69
 Energy    -252.92279111762693     
  O     17.97799097     10.82706037    -14.63412431
  H     17.26770009     11.47871645    -14.60956767
  H     18.07888119      7.37297518    -10.24943955
  O     15.26258293      6.64186613    -11.44468786
  H     18.20675539     10.64703365    -13.71255304
  H     14.62964131     12.21614042    -11.41681662
  O     12.17542541      9.38307039    -13.04216417
  H     15.35169604      6.27532602    -12.33476876
  H     16.09403721     12.52137570    -11.05032328
  O     13.45584998     10.85448961    -11.02190225
  H     14.32170997      6.78516347    -11.27660794
  H     15.00584775      9.83052593    -11.59598165
  O     19.41026741      7.56303574    -11.64017764
  H     12.90677702      9.64452681    -13.62057968
  H     15.55248593      8.38890379    -11.84818282
  O     12.68627630      6.57276503    -16.17954702
  H     11.56219538      8.88004831    -13.59214051
  H     18.52033603      8.61842727    -16.80390083
  O     15.53700923      5.79723324    -14.06684644
  H     13.29410840     10.38059037    -10.19634889
  H     17.93880709      9.37826884    -15.58876937
  O     14.46353578     10.08350350    -14.45274828
  H     12.85615692     10.48495387    -11.68368735
  H     11.82897815      6.11269487    -12.07737579
  O     15.92703881      9.53371632     -8.73321791
  H     20.26701366      7.15223494    -11.56436917
  H     11.07318937      6.26411992    -13.40944633
  O     13.20611960      4.30540434    -14.48953502
  H     18.99793391      7.20280941    -12.44635804
  H     18.19553392      7.29592849    -14.65843002
  O     13.28061256      9.11640212     -8.82431398
  H     12.87129132      5.72489435    -15.75688113
  H     17.37297941      6.22353067    -13.92077504
  O     17.30479988      7.33404802     -9.67729109
  H     13.53653505      7.02539193    -16.25508718
  H     12.49768203      8.11834492    -11.71708702
  O     15.40053259     12.73549757    -11.68532406
  H     15.38734883      6.52236490    -14.69015312
  H     12.77367570      7.93090282    -10.20098144
  O     15.63273701      9.31348559    -12.11674031
  H     14.82459850      5.16212431    -14.21025320
  H      9.90058548      7.74126446    -15.20389767
  O     17.91255065      8.53395952    -16.07406111
  H     14.77324007     10.98589529    -14.59078583
  H     11.38746403      7.31879773    -15.28529761
  O     11.49594986      5.61387382    -12.83447788
  H     14.96044448      9.75308362    -13.68588359
  H     18.11959702     12.19170616     -9.45889412
  O     18.21623481      6.69284412    -13.90546232
  H     16.39731554     10.31488571     -9.04019905
  H     17.83498026     11.19249069    -10.60358042
  O     12.63807476      7.45234018    -11.02832517
  H     16.46211748      8.76799431     -8.99341606
  H     14.85750234      8.67633983    -15.48718769
  O     10.69739499      7.65875214    -14.68708414
  H     12.59591198      4.70258628    -13.84224408
  H     16.10510605      8.04121416    -16.13087226
  O     17.41582266     11.73805674     -9.91623035
  H     12.98052099      3.38135527    -14.55072273
  H     15.63359223     12.68801280    -13.40723002
  O     15.17789361      7.87267277    -15.92263706
  H     14.24515540      9.23260588     -8.73136551
  H     15.60747031     13.45346732    -14.75041196
  O     15.73155668     12.58763431    -14.37157165
  H     12.91227498      9.16613603     -7.94675162
  H     18.77926368      9.28668741    -11.79885485
  O     18.25743599     10.08765121    -11.93297954
  H     16.60684390      6.93336738    -10.21508256
  H     17.33248964      9.80094738    -12.01459588
          69
 Energy    -252.59700832480399     
  O     11.54361758     10.00907526    -13.93215811
  H     12.08382990     10.77018582    -14.17295259
  H     18.49848528      7.82012537    -14.42874425
  O     15.94152150      6.52695495    -13.17370766
  H     11.73571559      9.32440853    -14.58664102
  H     15.46367912     10.92907206    -16.58670009
  O     16.92313470     10.24935014    -15.72693380
  H     15.51014909      7.26348417    -13.63502234
  H     14.25815780     10.34502886    -17.35096644
  O     12.16488935      5.41797687    -14.55706367
  H     15.58019362      6.52140594    -12.27859884
  H     15.50666089      9.12952474    -14.98864664
  O     16.29283823      9.69988533     -8.98075948
  H     17.51711042      9.54815107    -16.02445771
  H     14.70414781      9.39789404    -13.69873473
  O     14.80943895      6.79931510    -10.65326245
  H     17.23712145     10.53562405    -14.85908981
  H     11.37436164      9.35036241    -12.33375667
  O     14.84459181     10.88654137    -12.60296902
  H     11.52709021      4.70984178    -14.57468946
  H     10.45115532      9.11837674    -11.11447483
  O     16.02000040      7.03555239    -17.15100150
  H     12.24359053      5.69975325    -13.62745814
  H     18.91401720      7.86779287    -11.70676474
  O     17.13074331      6.95202848     -9.07914329
  H     16.53195535      8.77291124     -8.85705323
  H     18.95232641      8.95281759    -10.61116287
  O     18.40257512      7.94048720    -16.32122827
  H     15.40625516      9.69668286     -9.36446321
  H     13.18631338      6.31598551    -11.50096951
  O     14.91082739      5.19202614    -15.41102205
  H     14.52084154      7.72193984    -10.59251177
  H     11.94341965      7.17077181    -11.81677069
  O     18.31703242      7.85436773    -13.48248044
  H     15.56514970      6.71306022    -10.05933113
  H     17.81122943      9.59229302    -13.15347362
  O     14.55943653     11.12568885    -16.87188303
  H     15.79956167     10.88177281    -12.75926729
  H     17.91005182     10.75441326    -12.13980953
  O     14.85208188      8.74421006    -14.39372363
  H     14.41496678     11.44590801    -13.26290562
  H     17.60148171     10.47405549     -9.83980979
  O     11.32189029      8.93229129    -11.45560592
  H     15.61533076      6.33890511    -16.61201744
  H     18.81379473     11.43498753     -9.81081308
  O     18.99988443      7.99969700    -10.75334573
  H     15.30007409      7.55589562    -17.52062398
  H     13.21080125      8.43153482    -18.76009344
  O     12.37298293      6.33111231    -12.02055141
  H     17.54587557      6.39061664     -8.43009371
  H     13.19490055      8.36068648    -17.21558552
  O     17.57774514     10.52291534    -13.01637462
  H     17.83336449      7.24669741     -9.68590578
  H     14.24652646     10.01312581    -11.19131290
  O     18.36907341     10.78785988    -10.35130031
  H     17.56866270      7.55370665    -16.64933545
  H     12.97650109      9.31221196    -10.66153795
  O     13.73228507      8.61977221    -17.98367775
  H     19.07924632      7.71030825    -16.95152954
  H     13.11864828     13.01813950    -14.81489831
  O     13.91423538      9.44562654    -10.47878191
  H     13.97335274      5.16166713    -15.18990806
  H     13.76334856     11.77874865    -15.47695317
  O     13.37142265     12.11356126    -14.65050523
  H     15.35460253      5.45765818    -14.59375587
  H     13.35274403      8.20338760    -15.17312541
  O     12.52035101      7.97381477    -15.61876201
  H     17.53656955      7.29785710    -13.33537916
  H     12.29691013      7.07757787    -15.33845297
          69
 Energy    -252.53771078320693     
  O     12.91230594     10.42778387    -16.00853733
  H     13.48351450      9.82022385    -16.49627242
  H     15.81364152      5.57080370    -16.24351764
  O     16.10055319      6.10693546    -13.14909197
  H     13.47243961     11.16703848    -15.74252348
  H     20.82399265      7.72948241    -13.95361062
  O     17.15591066     10.19678129    -11.36063083
  H     15.26148440      6.13013604    -12.67019710
  H     19.42074557      7.86384507    -14.59071524
  O     17.16276850     11.51564640    -15.85360225
  H     16.77429597      6.51976205    -12.59047551
  H     16.84374970      8.52697546    -14.87354280
  O     13.99351439      5.86271795    -16.84200699
  H     16.36219954     10.41499195    -11.87113406
  H     15.86203714      7.67985408    -14.04835394
  O     13.66212753      8.92668530     -9.23553318
  H     16.89269993     10.18479841    -10.43249484
  H     10.45864041      9.17841124    -14.48494685
  O     13.64277626      6.44001545    -11.92367854
  H     17.28130184     10.89220698    -16.57679360
  H     11.90023434      9.54245241    -14.91099022
  O     14.98803385     10.59230218    -13.00968051
  H     17.75047749     11.23896415    -15.13424607
  H     17.34756276      7.10074682    -10.03791492
  O     17.19409695      9.45678804    -17.89028469
  H     13.49431053      6.01990210    -16.01947625
  H     16.72598021      7.99924146     -8.95330190
  O     14.28763851      6.11564853     -9.22136682
  H     13.51467813      5.19790170    -17.32916924
  H     12.15256762      7.27267015    -14.53130499
  O     18.30833709      7.75236690    -15.93166416
  H     13.28082503      9.08233343    -10.10981493
  H     12.93022734      6.25742704    -13.67291271
  O     16.68235786      5.54603780    -15.82652609
  H     13.72993768      7.96860563     -9.14067699
  H     18.26196570     10.60935607    -12.86021306
  O     19.92955723      8.00587227    -13.77278990
  H     13.78437324      6.19262348    -11.00151747
  H     19.25568171      9.83066027    -13.73311386
  O     15.95442270      8.52917287    -14.50020410
  H     13.41429321      7.38102072    -11.92027790
  H     17.69360000      8.46790107    -11.63126259
  O     11.37573903      8.99302056    -14.30127430
  H     15.33522059      9.87395622    -13.56433125
  H     18.76089875      7.60902933    -12.34574376
  O     16.82558722      7.07826243     -9.22553279
  H     14.84540179     11.34130563    -13.59908855
  H     16.19436364     10.35363517     -7.95100958
  O     12.63710191      6.43918910    -14.57419726
  H     16.29020476      9.15006420    -17.70461809
  H     15.24491545      9.58717854     -8.90290143
  O     18.69920372     10.61708024    -13.72115961
  H     17.25154020      9.59439733    -18.83226284
  H     12.25832401      9.12226492    -12.65436614
  O     18.01228943      7.55930866    -11.73944830
  H     15.22573145      6.37907758     -9.21505996
  H     13.63063454      9.70616628    -12.25854229
  O     16.17484391      9.83437197     -8.75021046
  H     14.18713514      5.43843669     -8.55824825
  H     15.62506290     12.13706551    -15.41450830
  O     12.91007785      9.14078663    -11.94315743
  H     18.08963665      8.29185522    -16.69949096
  H     14.72425326     13.37452309    -15.18400606
  O     14.74316083     12.42446915    -15.11213934
  H     17.78689166      6.93440023    -15.98213240
  H     15.10078966      8.56555847    -16.08318828
  O     14.76040175      8.54253514    -16.99206682
  H     16.51144291      5.55061739    -14.87326872
  H     14.45084101      7.63834220    -17.12776053
          69
 Energy    -252.47103889391335     
  O     17.58922364     11.06980179     -8.06083248
  H     17.42215541     11.85212750     -7.54305694
  H     15.84702269      8.91246487     -9.77876795
  O     18.76189330      5.33173569     -9.70793652
  H     18.36197695     11.26238489     -8.62425159
  H     20.19236209     10.51658476     -9.51424652
  O     19.23255707      4.43186028    -13.31896213
  H     18.22027601      4.77254300    -10.27872624
  H     19.62578462     11.39358231    -10.65161664
  O     18.83894824      7.22203248    -13.46555148
  H     18.65164576      6.23945473    -10.03617123
  H     15.65379857      8.10734388    -14.70519509
  O     22.47640023      7.57104288    -11.10777090
  H     18.49790166      4.17398592    -12.73654066
  H     16.37486327      8.83051555    -13.54080776
  O     17.15272507      3.98647287    -11.58821401
  H     19.31472620      3.74681681    -13.97764461
  H     20.65129188      4.90762604    -12.03397003
  O     20.92840159      9.03535669    -13.02940208
  H     18.97286198      6.26669563    -13.49863900
  H     20.44166723      5.19635810    -10.54862297
  O     15.32202403      4.18861805     -7.66263918
  H     17.93997098      7.40729326    -13.76512895
  H     14.06574662      4.94062486    -11.38169862
  O     20.65379558      8.73574160     -9.26604978
  H     23.41431803      7.40030536    -11.09189835
  H     14.09551681      3.60680795    -10.61389107
  O     18.48621972      7.86554376    -10.73944110
  H     22.03642278      6.70448469    -11.16729618
  H     14.42192769      6.88693213     -9.00416951
  O     18.68539318      8.55087453     -7.17990081
  H     16.57528152      4.75124517    -11.73764378
  H     15.94544410      6.95847751     -8.70943218
  O     16.37005907      9.64653907    -10.12978906
  H     16.65796341      3.37013989    -11.03378527
  H     15.44330013      6.60652573    -11.00576367
  O     19.71247344     11.33761796     -9.69272886
  H     21.51117219      8.58872780    -12.40414519
  H     15.63022591      6.78565722    -12.54910330
  O     16.16308259      7.95419357    -13.91408380
  H     20.27675740      8.37876234    -13.31108404
  H     20.05746409     10.50244493    -12.71879760
  O     21.10892055      5.22418472    -11.24799592
  H     15.99998063      4.85202052     -7.47531605
  H     19.86058585     11.99366000    -13.07252124
  O     13.51074038      4.32660715    -10.88177295
  H     14.49984899      4.67751920     -7.78824210
  H     17.69422376      7.05158660     -7.32014573
  O     15.24887912      7.28797682     -9.29641590
  H     21.42021015      8.39168672     -9.73713488
  H     17.81981863      5.81455795     -8.23728233
  O     15.45706883      6.14066980    -11.85396412
  H     19.88844693      8.45774357     -9.79409763
  H     13.08447925      5.19623307     -9.40770344
  O     19.50614904     11.28538157    -12.54075751
  H     18.60264457      7.74252058    -11.68944000
  H     12.12402997      5.77453131     -8.33873953
  O     17.22270766      6.26055241     -7.61951874
  H     17.77891396      8.50469875    -10.59228999
  H     17.73402533     10.66046785    -12.74328569
  O     13.04424118      5.69944554     -8.57475957
  H     19.48671867      8.55397093     -7.71865723
  H     16.57759218     10.17860455    -11.83895132
  O     16.85143905     10.27187866    -12.76333703
  H     18.26836350      9.40574775     -7.33831962
  H     15.50921362      3.10261670     -9.01334056
  O     15.53040703      2.55939044     -9.82215048
  H     16.69368515     10.16552328     -9.38230623
  H     15.46577750      1.65033541     -9.54234247
          69
 Energy    -252.36888473663043     
  O     12.92790343     11.03971826    -14.82891509
  H     13.71209046     10.99916930    -14.26293254
  H     17.39613899      4.86485170    -15.29621239
  O     13.05820638      4.71935949    -16.88971202
  H     13.14989809     10.53523084    -15.62003617
  H     14.76445299      4.86759612    -16.20247962
  O     14.06536855      6.21300750    -11.58929605
  H     12.70814920      4.24264870    -17.63767526
  H     15.35502732      4.73762142    -14.77703977
  O     18.44525128      6.01250751    -11.35201998
  H     12.66898197      5.61139465    -16.91973046
  H     15.86156156      8.56238370    -10.65390228
  O     12.37324623      3.88257260    -14.19879920
  H     13.25171749      6.22307746    -11.07228302
  H     15.53153691      7.13828584    -11.14079867
  O     10.84446869     10.43047687    -13.19847824
  H     13.89968364      6.78041789    -12.35945778
  H     14.27249990      7.71607834    -14.47435571
  O     12.02264131      7.22163955    -16.88241573
  H     18.90310668      6.42588695    -12.09413764
  H     13.97513985      8.79384255    -13.41998673
  O     14.72910228     10.05728055    -10.34338113
  H     17.75183381      6.63057466    -11.08540189
  H     14.21500665      9.80367708    -17.83599995
  O     19.43177545      7.06009517    -13.85271555
  H     13.24644555      3.78694991    -13.79912194
  H     14.54947401      8.87561063    -16.64686910
  O     11.01325194      7.86789331    -14.36114061
  H     12.53203537      4.11017427    -15.12193559
  H     11.02511850      6.20846533     -9.75825036
  O     17.65134982      3.59870048    -12.31541276
  H     10.20067997     11.13366057    -13.19815103
  H     11.14969722      6.17870759    -11.30117259
  O     18.24550447      4.82993709    -14.83816704
  H     11.55626016     10.70283146    -13.80586011
  H     11.68943717      9.67618861    -11.65439374
  O     15.55200810      5.04870797    -15.67350040
  H     11.50585083      7.42740742    -16.09146360
  H     11.89919969      8.40740541    -10.78079193
  O     16.26103007      7.76443850    -11.01953995
  H     12.57097598      7.99737036    -17.04612708
  H     15.86263038      3.82642101    -12.78593893
  O     13.71529362      7.91114494    -13.71124058
  H     13.80468195      9.78502446    -10.49433550
  H     14.68114210      4.79582149    -12.50623526
  O     13.84868771      9.42245246    -17.04149197
  H     14.72181145     10.66324432     -9.60767663
  H     10.60506396      6.32693642    -13.40221836
  O     11.51877080      6.57196804    -10.48761358
  H     20.32065910      7.14500848    -14.18594110
  H     11.19729190      4.90631665    -13.26362441
  O     12.20658753      9.31059206    -10.92699303
  H     19.04322833      6.27543336    -14.28073813
  H     15.68029285      6.82572279    -15.80145507
  O     15.00325569      4.11538860    -13.11526071
  H     10.72086674      8.72100823    -14.02187976
  H     16.22753322      8.08016126    -15.04420315
  O     10.65454139      5.56646933    -12.80862334
  H     11.95574017      7.81861764    -14.13504100
  H     15.85312165      9.97338070    -13.34412817
  O     15.63137052      7.79091022    -15.74862032
  H     18.07124583      2.88665753    -11.84053353
  H     14.97123238     10.43616024    -12.15336680
  O     15.02145127     10.40999088    -13.11751285
  H     17.93275371      4.42756483    -11.88840827
  H     18.00705135      8.21626498    -13.70073963
  O     17.14246924      8.61912305    -13.55124687
  H     18.10137838      4.27865576    -14.05850216
  H     16.83245565      8.28315835    -12.69749469
          69
 Energy    -252.34385833901806     
  O     13.25979846     10.62789440    -16.54694965
  H     13.56331554     11.42532904    -16.09682066
  H     19.87352046      8.52206818    -12.40536559
  O     16.41053573      6.72218068    -12.71742606
  H     13.98774449     10.34777021    -17.11445475
  H     16.42103258     11.20931591    -17.04953526
  O     16.08220238     10.67606230    -10.77012822
  H     16.76883215      7.14184515    -11.92274183
  H     17.35076819     11.58338127    -15.86810511
  O     18.23087159     10.65082524    -14.54862827
  H     15.45576763      6.61976621    -12.59676035
  H     15.78678352      8.64245395    -15.05375460
  O     15.73807903      7.46765388    -16.50667402
  H     15.49933884     10.61646869    -10.00278070
  H     16.16540047      8.32662374    -13.59635856
  O     12.23347266      8.91980956     -9.90751124
  H     15.52203785     10.88813084    -11.52970332
  H     12.19194829      9.50550887    -15.79328635
  O     13.67398187      6.67961017    -12.44771024
  H     18.41879650     11.03513521    -13.67952845
  H     10.76935903      8.89710827    -15.74670337
  O     14.52855652     11.03966446    -13.05050997
  H     17.44215889     10.10070232    -14.43135222
  H     15.06870244      8.41678720     -8.53485264
  O     13.22458061      6.21806112     -9.72398742
  H     16.47799747      6.96902219    -16.13934615
  H     16.15497878      7.62387566     -9.28004148
  O     19.62019995      8.24164495    -14.11364885
  H     14.91649108      7.08568751    -16.15639020
  H     13.50294585      6.46198881    -14.34683169
  O     17.77960980      6.16861113    -15.01155141
  H     12.40155774      7.97532311     -9.80497796
  H     12.76328412      7.32611066    -15.38009098
  O     19.93141639      8.75679236    -11.46187654
  H     12.18022917      9.07814599    -10.86002784
  H     19.15577273     10.55016920    -11.64066859
  O     16.67881742     11.93513948    -16.46902995
  H     13.30343577      7.57067123    -12.52546261
  H     17.79563002     11.24213670    -11.42356737
  O     15.98059165      9.05389381    -14.20356039
  H     13.47489018      6.38153878    -11.55130648
  H     16.91181372      9.05792280    -10.69130422
  O     11.62993732      8.85188759    -15.33886474
  H     14.46782759     11.77114829    -13.67569568
  H     18.28177438      8.32781072    -10.78335019
  O     15.37866718      7.52023949     -8.71395647
  H     15.02361398     10.33670518    -13.50268066
  H     13.96935987     10.70583240     -7.93088402
  O     13.44241775      6.64515284    -15.29252014
  H     14.02751214      6.61019078     -9.33513780
  H     13.50522823      9.79648717     -9.09405217
  O     18.63406984     11.32038595    -11.89651252
  H     12.96823478      5.49551479     -9.15774203
  H     15.67135254      8.89149883    -17.54223656
  O     17.34277346      8.19465154    -10.60179088
  H     19.25510035      9.08514112    -14.41633525
  H     15.68237494      9.59377595    -18.91844984
  O     14.28847921     10.17638003     -8.65664146
  H     19.07939538      7.55031261    -14.50915306
  H     12.06880657      9.10949530    -13.54781498
  O     15.57150552      9.75168836    -17.98413723
  H     18.07538614      5.26282078    -15.06313052
  H     13.13593643      9.92028166    -12.76780181
  O     12.48353866      9.21056994    -12.68228085
  H     17.31023729      6.26163554    -14.16350952
  H     15.30600939     12.59268450    -15.64600515
  O     14.47419820     12.83798036    -15.20018462
  H     20.83825264      8.62353326    -11.20011831
  H     14.36877215     13.77851378    -15.31196638
          69
 Energy    -252.32337837617558     
  O     12.93347311     10.13708539    -15.70655853
  H     13.32597070      9.40358699    -16.19835037
  H     16.47475385      5.31954591    -14.87808160
  O     16.76334184      6.42205239    -13.38218105
  H     13.57109671     10.85936733    -15.75093178
  H     17.70729617     10.70316596    -16.69488151
  O     18.48114730     10.26711570    -12.71845950
  H     17.65404882      6.63948657    -13.08123363
  H     16.77321584     10.20297286    -17.81231614
  O     18.80371380      9.85595099    -15.47612215
  H     16.51500527      7.14956400    -13.97416455
  H     15.99004281      9.35191615    -14.34308455
  O     13.42968356      5.53970073    -15.88288588
  H     18.61038676     10.42108109    -11.77486870
  H     17.10858853      8.89542794    -15.29374005
  O     15.82843851      9.83914383     -9.51782748
  H     17.56335646     10.52066167    -12.90095989
  H     12.17302230      9.63759236    -14.24049919
  O     14.77992370      6.88464390    -11.55233915
  H     18.83203928     10.13286190    -14.55011748
  H     10.89290509      9.59108384    -13.37108311
  O     15.85854471     10.85788213    -13.31906913
  H     19.38292147      9.08785783    -15.55554254
  H     18.76275523      8.54193506     -9.90998683
  O     18.06455115      6.71128518    -17.08854393
  H     12.78157197      4.88220970    -16.12015204
  H     19.00359816      7.41226408    -10.92696191
  O     16.20014029      7.02391078     -9.13219862
  H     13.17420679      5.88021411    -15.00640249
  H     12.35216393      7.48254807    -13.46647108
  O     20.12210892      7.36686449    -15.49452024
  H     15.85872797      8.90720395     -9.26543411
  H     13.38001392      6.57997674    -12.75333595
  O     16.26905179      5.05233705    -15.78428445
  H     15.13852595      9.90720842    -10.18888453
  H     18.96963512      8.47171615    -12.78001925
  O     16.95194384     10.96027434    -17.24246339
  H     15.16679453      6.82293932    -10.67112166
  H     19.65249254      7.39529580    -13.65876357
  O     16.25338451      8.63326829    -14.93187944
  H     15.48511314      6.65386655    -12.17628225
  H     17.49693028     10.31201319     -9.76989498
  O     11.80490724      9.31506559    -13.39794325
  H     15.14960483     10.52392812    -12.75133767
  H     18.74711965     11.07294052     -9.26725023
  O     18.70397408      7.58497025    -10.02532128
  H     15.48360276     11.38822062    -14.03301740
  H     15.57614713      8.30171204    -18.08985707
  O     12.75783672      6.60805833    -13.49184525
  H     17.43079798      6.08247752    -16.71105232
  H     16.12966438      8.36044491    -19.53219544
  O     19.24688073      7.54361584    -12.79566123
  H     17.56788221      7.29459029    -17.67045903
  H     14.31361103      8.64122100    -11.67103287
  O     18.45197247     10.43927114     -9.91539859
  H     16.24296343      6.48346776     -8.34809975
  H     13.19236017      9.57194044    -12.18833310
  O     16.36465719      8.51009826    -18.61967900
  H     17.11548249      7.13633651     -9.44651031
  H     15.69574948     11.69686233    -16.28524559
  O     14.03464646      9.56830935    -11.71728458
  H     19.40516186      7.06569526    -16.08379343
  H     14.93515122     12.99921846    -15.94654093
  O     15.01035230     12.07913247    -15.70776253
  H     20.93790317      7.04817060    -15.87054622
  H     15.02480429      8.18376353    -16.13046089
  O     14.36924212      7.99416148    -16.82216234
  H     15.30995350      5.11191588    -15.85762023
  H     13.98907384      7.13173088    -16.61436297
          69
 Energy    -252.30477913450548     
  O     17.99923686      9.89737005    -13.52200788
  H     18.30658873      9.01403549    -13.75204540
  H     14.99594435      4.37745503    -14.72445610
  O     15.32668273      4.72072532    -16.52918531
  H     17.62357621      9.83080378    -12.63127700
  H     13.41979257      9.37224431    -10.64724159
  O     12.39277469      7.98375837    -13.30895522
  H     16.02218901      5.40305105    -16.52949049
  H     12.79977691      8.30301565    -11.58625423
  O     12.09711076      6.03714240     -9.66244226
  H     15.55655959      4.09312630    -17.20910646
  H     14.96657496      9.33478021    -13.74248580
  O     12.95802696      6.32218897    -16.48277525
  H     13.29505535      8.08863936    -13.64881459
  H     15.25616806      8.49825783    -15.00597778
  O     16.66617882     11.37186594    -15.32370324
  H     12.15105129      7.06903723    -13.49918736
  H     19.41973384      6.70552327    -13.74454833
  O     17.16647504      6.69127305    -16.48283979
  H     12.90476078      5.62480957     -9.33222948
  H     17.89112382      6.81801987    -13.53808112
  O     14.61033857      4.72916957     -9.14440473
  H     12.34334821      6.93657233     -9.91511024
  H     12.05244009      9.54010240    -14.35073608
  O     15.75833579      9.07729956    -16.70859499
  H     13.74578960      5.77394343    -16.58377385
  H     12.45694383      9.89563155    -15.78888339
  O     11.14838587      4.29908725    -11.52419450
  H     12.49922527      5.98158018    -15.70522577
  H     13.65941220     10.99177374    -14.09549717
  O     13.85714169      3.33727090    -11.35214704
  H     17.19977020     12.10858245    -15.60787613
  H     15.16458745     11.42454254    -14.19876753
  O     14.78268244      4.41757307    -13.78422468
  H     17.20120034     10.86523836    -14.68237078
  H     11.65410104      4.92365759    -13.20369312
  O     13.13504184      8.45170356    -10.68945705
  H     16.76064580      7.54547108    -16.68637205
  H     13.04111245      4.99830657    -13.88039803
  O     15.00254687      8.43033694    -14.07768895
  H     17.76260332      6.84174280    -15.74005442
  H     12.54582506      8.96048835    -18.13489190
  O     18.63623447      7.13734430    -14.07598416
  H     14.85835498      4.12962057     -8.44606237
  H     12.96337267      7.96879090    -17.02395153
  O     12.25574062     10.28736311    -14.93020029
  H     14.41037464      4.18319598     -9.92606931
  H     14.05392541     11.88702455    -10.49200349
  O     14.46077619     11.18732076    -13.58363075
  H     14.84575623      9.14262680    -17.02047641
  H     14.30682079     11.17660569    -11.84291919
  O     12.12453883      5.30276188    -13.95643515
  H     16.03775780      9.94069033    -16.37770612
  H     15.87655392      7.17420824    -13.23954873
  O     13.02971441      8.89673066    -17.31560902
  H     11.41109342      4.95872006    -10.85720413
  H     16.15083431      6.61079412    -11.82431731
  O     14.26382669     11.04149140    -10.87980823
  H     10.32831890      3.91697001    -11.22380231
  H     16.53049907      8.76355707    -10.66238691
  O     16.33710056      6.46567664    -12.76096003
  H     12.91010228      3.50408568    -11.43485441
  H     15.99566415     10.18272293    -10.88397741
  O     16.76116006      9.61867459    -11.04460062
  H     14.24221762      3.56543877    -12.20854661
  H     15.35627760      6.32377955     -9.74379187
  O     15.56745093      7.14133143    -10.21118434
  H     15.36418027      5.09036558    -13.40121118
  H     14.72243218      7.58611407    -10.37497651
          69
 Energy    -252.27768576158428     
  O      2.00339496      0.05237033      5.08380516
  H      1.84567750     -0.26942560      4.18595123
  H      1.23949371      1.76761382      0.39548562
  O     -0.78521560     -5.12381095      5.72033424
  H      1.44143253      0.82608005      5.22202312
  H     -3.67662158      2.36217194      2.49207028
  O     -1.88573337     -2.55802948      9.02849601
  H     -0.07157867     -4.85555386      6.31642521
  H     -2.59675734      1.26864970      2.31050380
  O      3.66289432     -3.71172765      6.02549108
  H     -1.59820832     -4.78374464      6.11026196
  H     -2.68284804      1.30118561      4.62551449
  O      1.39021506     -1.00929396      2.60369765
  H     -1.89445041     -1.61748742      8.80729746
  H     -2.43021182     -0.09268065      5.24439062
  O      2.41676084     -3.43856394      3.63957684
  H     -0.99993794     -2.73415634      9.36807058
  H     -0.95047831      0.44687445      1.04871054
  O      3.66406242     -1.02650153      7.03917324
  H      3.25622709     -3.60779150      5.14581021
  H     -1.66184902     -0.79888799      1.61721963
  O      0.46421989      1.87527099      8.51242028
  H      4.44777663     -4.23897204      5.90381002
  H     -1.14847363      2.74164763      2.96666016
  O      2.00662715     -0.51572554      9.17328235
  H      1.31904260     -0.25512589      2.00572329
  H      0.05127597      2.76053949      3.92961838
  O      0.85403096     -2.85385455      9.83416688
  H      0.51884908     -1.43036062      2.61808667
  H      0.54118036     -2.44398761      6.65340779
  O     -1.10493161     -2.29939052      2.58967635
  H      1.64257474     -3.98570734      3.45945383
  H      0.86783651     -1.09482297      5.93471609
  O      0.80149800      1.26228160      1.07468105
  H      2.23981016     -2.58917494      3.21690114
  H     -0.09618633     -5.68538528      2.71234938
  O     -2.91363606      1.97022320      2.90808020
  H      3.22443489     -0.55896342      6.31472285
  H     -0.32899457     -4.96876226      4.06382026
  O     -2.39574207      0.85701544      5.43288102
  H      3.77879865     -1.93185268      6.72941870
  H     -0.81092401     -0.58881043      7.47858788
  O     -1.81789408      0.09424859      1.28301986
  H      0.23474567      2.48982828      9.20565779
  H     -1.98375710      0.38132799      7.23015703
  O     -0.19559059      2.89219700      3.00516268
  H     -0.27104938      1.24167837      8.44416968
  H     -2.64702958     -3.42901034      7.71098036
  O      0.16214469     -1.61578339      6.33724990
  H      1.62536348      0.34859065      8.99612846
  H     -3.86067743     -4.25025318      7.22044839
  O     -0.02726922     -4.83922106      3.14618270
  H      2.65620649     -0.67883890      8.47122298
  H      2.11756698     -3.97894190      6.99155615
  O     -1.44210708     -0.00369851      7.93090643
  H      1.25761094     -1.98944082      9.63135800
  H      1.19040283     -3.73071597      8.23698919
  O     -3.04977683     -3.84358260      6.92724201
  H      1.15210909     -3.09646404     10.70656362
  H     -0.70148915      1.63244594      5.60772804
  O      1.20899972     -4.02643588      7.31771055
  H     -0.78398255     -3.20870398      2.63317254
  H      0.35128390      2.16359161      6.61594515
  O      0.16380666      2.06199846      5.67530360
  H     -1.59378531     -2.15213428      3.41252431
  H     -1.33419904     -1.83366898      5.45469022
  O     -2.22652692     -1.88834807      5.07235987
  H      0.51980061      1.89513561      1.75969287
  H     -2.69408780     -2.54199657      5.60439699
          69
 Energy    -252.25589118171126     
  O     13.03334414     12.28874686    -13.92001600
  H     13.91136586     12.63459547    -14.11621035
  H     13.52679820      6.26385778    -14.79975707
  O     14.54534350      6.74942606    -13.30164807
  H     12.83094949     11.66051469    -14.62737729
  H     15.50115392     10.98501931    -17.26548330
  O     18.16803345      9.04903304    -12.94652430
  H     14.62472087      7.61714785    -13.73076812
  H     16.78429253     10.72669638    -16.45504015
  O     17.52999783      9.22658067    -15.69535840
  H     14.21457183      6.92324154    -12.41207563
  H     15.67713468      9.17473275    -15.06302391
  O     11.01741767      8.22015654    -14.92871395
  H     18.56495739      8.87485279    -12.08408897
  H     14.16821623      9.57245756    -14.93392713
  O     16.57717199      8.91969998     -9.02110655
  H     17.51598047      9.75039288    -12.80155734
  H     11.59450740     12.00897216    -11.14692096
  O     13.67761230      7.58957180    -10.80139274
  H     17.61057908      8.32825059    -16.03896100
  H     12.50908967     11.74621527    -12.36678642
  O     16.12595111     10.91327032    -12.73014413
  H     17.92929901      9.22462806    -14.81518760
  H     17.58735499      5.88401321    -11.72600428
  O     14.94275673      7.34540366    -17.37193912
  H     10.08314334      8.04772522    -15.00919081
  H     18.24765247      6.67631435    -10.58558063
  O     15.52617412      6.24824094     -9.16384359
  H     11.19387129      8.36596760    -13.98128160
  H     11.69692372      9.63668945    -12.05345840
  O     17.47043641      6.46828084    -16.27758051
  H     16.18008546      8.04654699     -8.91316601
  H     12.15907598      8.19611297    -11.77431232
  O     13.05067425      6.32269830    -15.63914872
  H     15.89324038      9.47624253     -9.41579681
  H     17.55666681      7.32686217    -13.32402051
  O     16.16332173     11.42124303    -16.71716431
  H     14.19091386      7.04833957    -10.18909096
  H     16.28253101      6.43758674    -13.42689521
  O     14.92133780      9.19474306    -14.46308996
  H     14.01709116      8.49230776    -10.71544337
  H     18.11074035      8.69664757     -9.82290972
  O     12.21338725     11.38252449    -11.51237338
  H     16.11549616     11.74764203    -13.21291362
  H     19.65664551      8.69472328     -9.74946033
  O     17.70056980      5.90182250    -10.76783930
  H     15.60549384     10.29784545    -13.27305547
  H     14.50669980      8.91898459    -17.88991135
  O     11.56537037      8.72027808    -12.32571748
  H     15.77980547      6.96603405    -17.08798658
  H     14.04360820      9.83262053    -19.04986667
  O     17.24731847      6.43363517    -13.53223307
  H     14.25576604      6.93821662    -16.82184573
  H     13.75711107     10.68171935    -10.71694242
  O     18.92141219      8.45551532    -10.30717059
  H     15.47574086      5.54885660     -8.51794174
  H     15.19703234     10.52500023    -11.24051045
  O     14.21923766      9.82405922    -18.11309566
  H     16.27854731      6.03926647     -9.74565513
  H     16.08246069     13.88294937    -14.73925885
  O     14.59549117     10.23805390    -10.53796418
  H     17.41602610      6.32826285    -15.31721654
  H     15.87412357     12.48393586    -15.36243464
  O     15.73048991     13.01562858    -14.55879665
  H     18.05641536      5.79784054    -16.61930931
  H     12.06360779      9.56395009    -15.62915958
  O     12.70765272     10.26313762    -15.80490860
  H     12.29130455      6.88914508    -15.45916436
  H     13.08058668     10.13045615    -16.68599536
          69
 Energy    -252.24576399024977     
  O     12.46641604     11.79563512    -14.38307940
  H     13.24789738     12.33178784    -14.20455634
  H     17.32010959     11.56928087    -15.22855302
  O     15.18772179      6.66014488    -13.56633864
  H     12.65058463     11.30743851    -15.19748369
  H     15.82431905      9.03235803    -15.19556323
  O     17.74892024      9.68069595    -11.71972868
  H     15.06809726      7.55985243    -13.90866274
  H     14.37678068      9.55866596    -15.10137161
  O     12.31725923      7.48778384    -16.42045218
  H     14.54204190      6.56354674    -12.85591417
  H     10.34565153     10.59540258    -12.40887894
  O     14.87967194      8.55455007     -8.75677814
  H     17.79593687      9.49726680    -10.77367698
  H     11.64390410     10.83053704    -13.21726930
  O     13.28065153      6.79418351    -11.56481875
  H     16.90566684     10.13413297    -11.86903427
  H     17.61676482      6.37930743    -11.05469615
  O     15.33420350     10.81311422    -12.37128183
  H     11.57980364      7.06942075    -16.85727580
  H     17.56819035      7.09430172     -9.69371721
  O     16.75876385      8.29152384    -16.69160498
  H     12.09562855      7.52143023    -15.47161623
  H     11.47569824      8.54384720    -13.41918385
  O     14.78354606      5.75613068     -9.43180126
  H     14.74400389      7.60414742     -8.85533480
  H     12.16477967      7.21483326    -13.06346123
  O     19.05076194      7.72444961    -15.18250765
  H     14.28645010      8.97537184     -9.39311819
  H     18.36086034     10.29919898    -13.42951498
  O     14.92881519      6.28586354    -16.34148222
  H     13.68700336      6.31781416    -10.83031759
  H     18.80937146      9.61972651    -14.72934776
  O     16.63457067     12.11696668    -15.64045962
  H     13.32562945      7.73413723    -11.33393189
  H     17.76783917      8.00820010    -12.44683760
  O     15.11167266      9.22398354    -14.57303069
  H     15.21388753     11.71280026    -12.69625642
  H     16.89276542      6.87429503    -13.07334786
  O     11.20758492     10.22893866    -12.58682811
  H     15.27803790     10.24023677    -13.15365862
  H     16.59504987      8.84974839     -8.88852705
  O     17.36818300      6.25662839    -10.13061943
  H     17.59659972      8.04397750    -16.28374013
  H     17.93790318      9.20837651     -8.20807720
  O     11.73139909      7.68774983    -13.78420469
  H     16.16820349      7.52164920    -16.66772118
  H     16.13488047      9.68457040    -17.54741803
  O     18.47942982     10.45247651    -14.37545057
  H     14.74010782      4.98170514     -8.87748414
  H     15.96989806     10.62313182    -18.76677117
  O     17.79784685      7.11587343    -12.82427078
  H     15.71297773      5.85234418     -9.70629208
  H     12.55003817      9.79890484    -11.35908650
  O     17.55883713      8.89499895     -9.02467187
  H     18.67326131      7.41472050    -14.34132187
  H     14.07927500     10.00487925    -11.37159287
  O     15.68346166     10.48558251    -17.86759228
  H     19.87788715      7.26458363    -15.29860698
  H     15.09326215     14.08849669    -13.74296865
  O     13.36714609      9.52305120    -10.92601750
  H     14.03447810      6.62859021    -16.46127220
  H     15.53928371     12.82598426    -14.51867319
  O     14.91899713     13.15695066    -13.84255988
  H     15.02611273      6.16099599    -15.38732585
  H     12.89931447      9.24368982    -16.61609318
  O     13.24795742     10.13429035    -16.47501473
  H     16.34280247     11.65240196    -16.43076604
  H     13.98794648     10.27507083    -17.07994046
          69
 Energy    -252.23830223122059     
  O     -4.79034738      2.29262205      0.89513838
  H     -4.50592330      2.26752588      1.81785767
  H     -0.37897397      2.04411867      5.07558877
  O     -0.91668799     -3.27753259      0.07591205
  H     -4.37325237      3.07549344      0.51271929
  H     -0.43244905      3.64242118     -1.57390014
  O      1.40458538      3.97302971     -1.16045328
  H     -0.04554832     -3.36909018      0.48112775
  H     -1.30607192      2.42454102     -1.92849005
  O     -1.04697867      0.53505708     -1.86656090
  H     -1.46361177     -2.81353232      0.72307495
  H      1.33105924     -1.77169996     -1.64757484
  O     -0.62036876      0.24128920      4.97146368
  H      1.35981378      4.33728631     -0.25808189
  H      2.04442411     -0.57181111     -0.99970747
  O      1.17524207      4.91924955      1.35405643
  H      1.94446075      4.56974704     -1.67171670
  H     -2.61671908      1.97794316      2.89992006
  O     -1.18694902      2.10567365      1.77214477
  H     -1.73556817      0.46336359     -1.18771533
  H     -3.30987032      2.88627824      3.92409875
  O     -3.34043809     -0.52277753      4.30733231
  H     -0.87481165     -0.36292024     -2.17424645
  H     -2.63651964      4.07848128     -0.79560196
  O     -0.41556882     -2.16463185     -2.35263758
  H     -1.53188137     -0.06358517      4.89870279
  H     -3.77517363      5.12344705     -0.79070780
  O     -2.19068070     -1.57049060      1.93395402
  H     -0.11859847     -0.31606927      4.36428635
  H     -2.14340347      1.08629220      0.70634963
  O      0.45986081     -1.25387437      2.79129102
  H      0.24169700      5.06236818      1.56406191
  H     -3.62884030      0.98880792      0.31591931
  O     -0.27383489      3.00674353      5.04894050
  H      1.56104758      4.48020394      2.12109431
  H      1.56259578      2.13552338     -0.96302010
  O     -1.34514613      3.36612412     -1.71999747
  H     -1.18712995      3.07033175      1.74070990
  H      0.56738750      0.96301376     -1.12775433
  O      2.07887733     -1.53333366     -1.08499132
  H     -0.28123394      1.81748369      1.92854515
  H     -1.65891431      3.96075072      4.77206018
  O     -3.42701727      2.06908760      3.42551218
  H     -4.07695489     -0.76678761      4.86204318
  H     -2.65143907      5.04478411      5.26489416
  O     -3.31697962      4.49635143     -0.23677833
  H     -3.48641246      0.39963461      4.03595874
  H      1.17985790      0.29716187      2.28676173
  O     -2.78445516      0.52553800      0.23897595
  H     -0.63843211     -2.77700335     -3.04848713
  H      1.51894611      1.15340504      1.02065529
  O      1.43904959      1.19660221     -0.77587046
  H     -0.67297847     -2.58742424     -1.51343536
  H      2.45895115     -3.72591908      1.18669208
  O     -2.46512824      4.46009848      4.53624553
  H     -2.46089072     -0.89796497      1.29115249
  H      1.95929611     -2.52472130      0.34756006
  O      1.45196227      1.17513855      1.98548229
  H     -2.65252257     -1.36338146      2.75502058
  H      1.97183776      2.50946462      2.98620048
  O      1.75850946     -3.08294854      1.12051459
  H     -0.45085404     -1.35322818      2.47822874
  H      3.00251385      3.23679900      3.88185197
  O      2.12819584      3.31613956      3.50870630
  H      0.97941569     -1.93120139      2.34075544
  H     -2.24490383      4.87408597      1.22888955
  O     -1.54587355      4.89226585      1.89615791
  H      0.56344399      3.17952356      4.60524779
  H     -1.95018624      4.86853584      2.77279696
          69
 Energy    -252.17311866448645     
  O     11.62152653     11.01709894    -13.82311279
  H     12.09694494     10.74207793    -14.61951165
  H     15.76328673      6.88062058    -15.52998225
  O     15.81302828      7.09431741    -13.75542498
  H     12.09576448     11.78091701    -13.47560386
  H     18.81191248      8.18488877    -13.32906430
  O     17.08843028      9.98876755    -10.84091990
  H     15.09767401      6.79215422    -13.18146074
  H     18.75739274      8.65044240    -14.81537126
  O     17.10602100     11.87005397    -14.41943955
  H     16.58706832      7.18720864    -13.18542224
  H     14.66091136     12.95387664    -15.93933574
  O     12.84741305      7.40835987    -16.52537994
  H     17.79921120     10.46867599    -11.28363349
  H     15.69380064     12.97677526    -14.80115748
  O     15.51646405      8.28403482     -9.15550760
  H     16.26162722     10.40871012    -11.11979267
  H     14.55969279      9.89613863    -14.79166037
  O     13.97551384      6.32769472    -11.83153408
  H     16.52703839     11.09523335    -14.33522862
  H     15.47656146      8.85372245    -14.07693226
  O     14.64086654     10.92330540    -11.77437744
  H     17.80073797     11.76859438    -13.76090764
  H     11.10980061      9.69155304    -12.86770359
  O     17.18179505     11.03480187    -17.08349610
  H     12.60568524      7.18982351    -15.60694158
  H      9.94922240      8.95873451    -12.15062767
  O     16.22465065      5.85224951    -10.11822659
  H     12.24767327      6.92329709    -17.08612813
  H     17.42681565      6.79404982    -11.28131835
  O     18.04174068      8.36775227    -16.58491532
  H     14.63983192      8.48032680     -9.51154911
  H     17.55146421      8.32036131    -11.50046083
  O     15.69941297      7.00528912    -16.48970658
  H     16.11553835      8.93420001     -9.54462339
  H     11.64454635      7.56871634    -13.46226850
  O     19.15865109      8.83138201    -13.95724396
  H     14.66621552      5.96981572    -11.26149406
  H     12.72237124      6.49553799    -13.27169600
  O     14.83112736     13.32669348    -15.06810971
  H     13.70821837      7.17093324    -11.43508371
  H     19.17595835     10.32216773    -13.07729207
  O     15.28663625      9.79556603    -14.16341297
  H     14.19410196     11.75119452    -11.98313435
  H     19.94155097     11.46405117    -12.36359920
  O     10.88059800      8.90091350    -12.34503874
  H     14.83018608     10.49849934    -12.62670910
  H     14.58753821     12.24317356    -18.43804383
  O     17.79472049      7.46021735    -11.87457009
  H     17.48425263     10.12275118    -16.99900651
  H     15.56451523     11.52761181    -17.47579810
  O     12.16261082      6.90877859    -13.93987294
  H     17.32303892     11.43205734    -16.21301089
  H     13.66767464      9.57184680    -11.07511523
  O     19.06722084     11.12319326    -12.53121325
  H     15.98235816      6.68352580     -9.66968368
  H     12.32605910      8.81487787    -11.15508432
  O     14.64666747     11.83914958    -17.57677256
  H     16.41578506      5.21546221     -9.43500020
  H     13.03159718     14.00823488    -12.56520829
  O     13.20026175      8.78981831    -10.74634085
  H     17.19482983      7.88914318    -16.61318603
  H     13.80947149     13.25586913    -13.67010731
  O     13.27648101     13.13654024    -12.86311026
  H     18.63017244      7.90851265    -17.17988198
  H     13.04773706      9.22795477    -16.29697036
  O     13.18141056     10.12098082    -15.95412742
  H     14.76006372      7.12578029    -16.66152167
  H     13.61174583     10.66049945    -16.63050581
          69
 Energy    -252.15379672070668     
  O     11.06954445      9.77459714    -13.40689065
  H     11.50556622     10.55065780    -13.03863564
  H     15.61158873      6.46745476    -15.73190664
  O     15.81744186      6.35495869    -13.88430941
  H     11.53107402      9.58232234    -14.23593480
  H     18.77459230      7.80734210    -12.67587061
  O     16.45143460      8.93144569    -10.30740453
  H     15.12545533      5.91155307    -13.37468590
  H     19.03695468      9.30945777    -12.50317181
  O     16.69178858     10.91093666    -13.87834532
  H     16.54545640      6.49019841    -13.26425912
  H     14.20892646     11.96246100    -15.43891891
  O     12.48261395      6.50532023    -16.46516487
  H     15.59815155      9.27846481    -10.60741587
  H     15.23284792     12.01843322    -14.29971327
  O     15.09613744      6.80899297     -8.97830121
  H     17.10775784      9.59060233    -10.56321336
  H     15.14415596      8.02514401    -13.90346246
  O     14.00283003      5.24969759    -12.08270816
  H     17.35461069     10.64471735    -14.52817399
  H     14.04664278      8.99026747    -14.45162081
  O     14.02891760      9.75142834    -11.36005013
  H     16.02493888     10.20605000    -13.87321350
  H      9.57227244      7.40331957    -11.98967345
  O     16.22971337      9.27994084    -17.09492876
  H     12.27981534      6.16720541    -15.57402123
  H     10.67041043      8.30226625    -12.60826834
  O     16.16187346      4.69572681    -10.30211966
  H     11.94352513      6.00956817    -17.07544289
  H     17.14649571      7.49175390    -11.24619373
  O     18.60451481      9.66722265    -15.51718170
  H     15.62674174      7.57577687     -9.23198837
  H     17.24557661      5.95130173    -11.26745463
  O     15.34083880      6.71323765    -16.62685675
  H     14.21925439      6.96021172     -9.35562855
  H     12.62193388      5.35465993    -13.36078122
  O     19.20234798      8.56515661    -13.09472039
  H     13.61982447      5.98197947    -11.57686276
  H     11.37170443      6.25199493    -13.39383484
  O     14.34890412     12.31610994    -14.55231094
  H     14.69066455      4.86929836    -11.52394215
  H     18.53259885     11.63109930    -11.33323883
  O     14.77590824      8.91399322    -13.82396496
  H     14.27172621      9.40415876    -12.23446603
  H     17.60323168     10.91653237    -12.34319376
  O     10.50434305      7.43934705    -12.18621146
  H     13.55121429     10.57017892    -11.53100506
  H     14.93524354     10.39458799    -17.10752291
  O     17.53798593      6.74752263    -11.72673959
  H     15.94051944      8.35960076    -16.99767553
  H     14.07206975     11.36423922    -17.95058834
  O     11.93254872      5.69319481    -13.94569203
  H     17.06581129      9.35283678    -16.62415133
  H     13.20194916      8.22556310    -10.83399323
  O     18.16614759     10.78072092    -11.56131192
  H     15.79602505      5.39396762     -9.72828205
  H     11.96347548      7.32696221    -11.02604885
  O     14.15174695     10.97595714    -17.08392792
  H     16.40950194      3.97169708     -9.73377505
  H     12.34490266     12.81673468    -12.15560061
  O     12.84176064      7.35118700    -10.62638075
  H     19.42109480      9.85948967    -15.97109876
  H     13.23393345     12.12356168    -13.21213408
  O     12.65870786     11.96352143    -12.44280886
  H     18.84658733      9.17405151    -14.71381608
  H     13.05413244      9.76752704    -16.23551711
  O     12.63139298      9.16113083    -15.61391239
  H     14.38847005      6.56657927    -16.65813047
  H     12.55731618      8.29144639    -16.02794806
          69
 Energy    -252.10611859961983     
  O     13.50876644     10.88803121    -13.84885178
  H     14.37533696     10.97901987    -13.42172218
  H     15.13804961      5.00836035    -15.25321990
  O     12.80856981      5.61445520    -17.24771370
  H     13.65329589     10.76723478    -14.79527236
  H     16.05396498      8.08955026    -10.63840462
  O     14.02683318      6.08348386    -11.84377319
  H     12.41219910      5.28407337    -18.04991407
  H     15.57806852      6.78721870    -11.30972724
  O     18.36220223      5.42657421    -11.74734413
  H     12.50386696      6.53281663    -17.14491264
  H     14.27139516      7.92812257    -14.43538386
  O     12.09052596      4.36746410    -14.72227735
  H     13.23903793      6.04060945    -11.29003926
  H     13.62423987      8.99005332    -13.53402280
  O     11.12078937     10.59531535    -12.59184113
  H     13.85994230      6.78492499    -12.49440962
  H     14.45174134     10.67267475    -17.24691716
  O     11.98384458      8.17851882    -16.86750905
  H     18.85745098      5.90193425    -12.42560260
  H     14.69689739      9.46601093    -16.30976269
  O     19.43351120      6.74696164    -14.07348778
  H     17.73353763      6.06214569    -11.37968391
  H     11.07059300      5.91439139     -9.88944283
  O     10.92129081      8.30436025    -14.27507024
  H     12.95827788      4.12993722    -14.37248408
  H     11.12567391      6.15716200    -11.41722156
  O     17.33007721      3.28465744    -13.05778260
  H     12.25490904      4.75126577    -15.59090891
  H     11.93845625      9.58067288    -11.18330069
  O     18.02238858      4.82945277    -15.37592708
  H     10.63316675     11.40822882    -12.48814821
  H     12.12248461      8.18266319    -10.54323744
  O     15.35333775      5.44278510    -16.09258633
  H     11.95157341     10.82116333    -13.04766422
  H     15.57165085      3.75670720    -13.44107891
  O     16.36931768      7.30948831    -11.11034024
  H     11.44593806      8.25990322    -16.06817269
  H     14.49848762      4.78638255    -12.98975081
  O     13.64417674      8.04148658    -13.71096976
  H     12.61394725      8.90705131    -16.83880763
  H     10.43084985      6.67354783    -13.46431695
  O     14.05966836     10.16529605    -16.54060590
  H     20.32218616      6.80339466    -14.41326127
  H     11.00661900      5.24658960    -13.56379713
  O     11.55738237      6.37188289    -10.56887316
  H     18.96615808      6.08366277    -14.61314024
  H     15.15480556     10.03105801     -9.22419622
  O     12.48920991      9.07497611    -10.57487671
  H     10.76650429      9.09274180    -13.74231258
  H     14.16598412      9.41605141    -10.24086266
  O     14.74250151      4.17577229    -13.70075826
  H     11.84449598      8.05769570    -14.10551126
  H     15.63500487      7.19714837    -15.89366057
  O     10.51340426      5.84251438    -12.98072245
  H     17.68416899      2.47062668    -12.71035444
  H     16.28234841      8.26851849    -14.94874692
  O     15.10642427      9.61095422    -10.07898014
  H     17.69391297      4.00592716    -12.51351106
  H     15.68234388     10.45160879    -11.67957071
  O     15.64758563      8.13751732    -15.66772326
  H     17.82978877      4.18158176    -14.68613854
  H     16.49704273     10.09667035    -12.94108833
  O     15.89459603     10.75468263    -12.57190761
  H     17.17647807      5.02183540    -15.79989565
  H     18.12605829      7.99702613    -13.70980540
  O     17.30952291      8.46205269    -13.48795037
  H     14.53916943      5.44748039    -16.61196351
  H     16.96276275      8.04017615    -12.68858162
          69
 Energy    -252.06722920405281     
  O     11.23430013     10.07528716    -13.55237826
  H     11.73415456     10.20100279    -14.37183152
  H     19.06477123     11.09539741    -14.97797227
  O     16.90948051      7.85595389    -14.51541064
  H     11.50464061     10.79182987    -12.96813558
  H     15.78396943      9.27417922    -14.22810440
  O     17.04748310     10.35904644    -10.82165427
  H     16.38053801      7.18391190    -14.06530981
  H     15.63906212     10.83611420    -14.17277837
  O     16.31004554     12.50696322    -14.47338326
  H     17.60029127      8.13466485    -13.89877028
  H     11.30954610      8.39933029    -13.18151715
  O     13.80349480      8.26525792    -17.26733576
  H     17.21418843      9.77057800    -10.07394050
  H     10.57087542      7.06596851    -12.91039850
  O     15.48905335      6.58357824     -9.43917879
  H     16.09036508     10.36337704    -10.96651800
  H     18.50263872      7.32020840    -10.03844604
  O     15.29059598      6.13569905    -13.08203658
  H     16.86087753     12.24369613    -15.22376810
  H     18.93112271      7.43984012    -11.50770969
  O     14.34594285     10.28623279    -11.44606151
  H     16.88905287     12.63027123    -13.71045008
  H     12.62638564      6.96788325    -14.43945946
  O     17.88621240     11.38326480    -16.48128923
  H     13.65176157      7.69312669    -16.49326373
  H     14.04325812      6.38404797    -14.49523740
  O     16.96823210      4.87208063    -11.21694729
  H     13.47252275      7.78895328    -18.02418722
  H     17.69638319     11.80915441    -11.66238260
  O     16.55932268      9.07342906    -16.96696085
  H     14.75289518      6.89853932     -9.98126105
  H     18.32147521     13.22159836    -11.64112862
  O     19.53795952     10.99451374    -14.14293271
  H     15.91275951      5.88283537     -9.94966636
  H     18.07180667      9.35423322    -12.05090550
  O     15.19490123      9.99811254    -13.98420945
  H     15.85791458      5.58206785    -12.53175074
  H     19.11506796      9.53166168    -13.18722681
  O     11.43835929      7.44913907    -13.00781178
  H     14.75751073      6.66657068    -12.47291599
  H     16.67376124      7.77902951     -9.00247111
  O     18.82449864      6.80373615    -10.78672139
  H     13.67695768     10.97988064    -11.47546785
  H     17.54542004      8.43042708     -7.90298129
  O     13.34161961      6.74891084    -15.04852129
  H     14.61513939     10.13610772    -12.36868796
  H     13.25069148     12.24495126    -15.04252511
  O     18.01174335     12.53474931    -12.22637821
  H     17.40675390     10.56460219    -16.70199809
  H     14.48659430     12.97110727    -14.48119520
  O     18.66108897      8.87078056    -12.64474983
  H     18.25080321     11.71359614    -17.29815237
  H     13.85713726      8.54179716    -11.27480762
  O     17.40272065      8.40674573     -8.84537740
  H     17.69398593      5.51222087    -11.10385339
  H     12.84141896      7.48995229    -11.79639486
  O     13.52105282     12.95493553    -14.44481624
  H     17.34786015      4.00405937    -11.11234812
  H     11.95156613     12.97188179    -11.66583802
  O     13.66849544      7.59367783    -11.30926741
  H     15.64186505      8.86239658    -17.17224702
  H     12.81124906     12.57567067    -12.88878656
  O     12.42108778     12.24217589    -12.06049832
  H     16.78579445      8.52178113    -16.20348477
  H     13.14334760      9.81610151    -16.37812621
  O     13.02953872     10.44181362    -15.65485304
  H     19.14717365     11.63317134    -13.53381770
  H     13.75856270     10.24542194    -15.04491031
          69
 Energy    -252.03133237851532     
  O     17.92600049     10.08253393    -14.33220927
  H     18.28484407      9.20128605    -14.17919212
  H     15.37673760      4.05558971    -13.57305794
  O     15.90220925      3.89621899    -15.36033481
  H     17.36780922     10.27499877    -13.56457964
  H     12.86692660     10.15414483    -11.73891916
  O     12.43724146      7.79014487    -13.73749965
  H     16.50169066      4.64313828    -15.53909439
  H     12.50188426      8.73680290    -12.24036075
  O     11.74735689      7.23136678     -9.71897957
  H     16.27537961      3.13430831    -15.79558004
  H     15.39748945      9.01024072    -13.75398462
  O     13.41311411      5.10519982    -16.09324900
  H     13.37657745      7.92502330    -13.94257130
  H     15.40345606      8.18483293    -15.08878220
  O     16.47172902     10.82676262    -16.49631234
  H     12.32016614      6.83782723    -13.63705778
  H     19.52450320      7.15292025    -13.18627214
  O     17.47887136      6.03514576    -15.84449871
  H     12.54551327      7.05245992     -9.20727965
  H     17.98466327      7.12461450    -13.06343470
  O     14.29099929      6.46280722     -8.58882473
  H     11.94006289      8.01687376    -10.24770510
  H     12.10312461      8.78390374    -15.29461912
  O     15.91590566      8.11068128    -16.84964690
  H     14.25032887      4.65686894    -15.92298349
  H     12.57356712      8.64021854    -16.74784197
  O     11.16892190      4.86586137    -10.92774907
  H     12.91113609      5.04245951    -15.27133641
  H     13.31415573     10.63311107    -15.57749208
  O     13.87035590      4.27896345    -10.14886788
  H     16.92297483     11.49579936    -17.00414975
  H     14.75709738     11.19560598    -15.67182864
  O     15.06732260      4.35634836    -12.70959730
  H     17.05406722     10.60127621    -15.74795601
  H     11.87956709      4.90540596    -12.64799484
  O     12.68915506      9.25454278    -11.44164170
  H     17.00439311      6.74350125    -16.30195052
  H     13.33300296      4.80391910    -13.16631767
  O     15.11000378      8.18792182    -14.16983349
  H     18.01143838      6.46454231    -15.16584701
  H     13.06510259      6.97421780    -18.59269211
  O     18.71958029      7.38561478    -13.64306329
  H     14.49052420      6.19253550     -7.69670494
  H     13.37928582      6.46749141    -17.16553702
  O     12.25090927      9.28520773    -16.10819472
  H     14.20888209      5.64857849     -9.11744435
  H     13.31472021     12.60942247    -12.42033058
  O     13.92500490     11.28234915    -15.19651757
  H     15.07321848      7.89622427    -17.27195835
  H     13.65103273     11.59538085    -13.54096813
  O     12.42916281      5.02701525    -13.43205920
  H     16.07025763      9.06132501    -16.92003804
  H     15.93979695      7.13148091    -13.04540446
  O     13.42182541      7.24541007    -17.75115276
  H     11.29481852      5.73996209    -10.51686462
  H     16.06425254      7.22228905    -11.51722854
  O     13.58188307     11.70763737    -12.57391358
  H     10.33003955      4.53519472    -10.61834828
  H     15.87024764      9.69852922    -11.60261906
  O     16.40343351      6.74339947    -12.28430341
  H     12.93395733      4.32274923    -10.37977142
  H     15.23149746     10.87767483    -12.37962346
  O     15.98604419     10.27438215    -12.36901911
  H     14.34366483      4.15351304    -10.98134780
  H     14.96315214      7.79475268     -9.68745848
  O     15.15562584      8.38922987    -10.42337531
  H     15.58924467      5.14390948    -12.49829956
  H     14.29538327      8.66643346    -10.77351985
          69
 Energy    -251.99426859842663     
  O     12.16067795     10.78762246    -15.82831490
  H     12.97463604     11.29568426    -15.92262264
  H     17.05998728      9.95794622    -16.43309449
  O     14.96006228      6.72322631    -12.47818012
  H     12.32413909      9.93022006    -16.24547673
  H     14.02615023      8.45087159    -15.23836521
  O     17.51166266     10.33383572    -12.40585438
  H     15.87670527      6.90439072    -12.23242992
  H     15.47845570      7.96244640    -15.05409726
  O     11.84650011      6.06074540    -15.25714856
  H     14.76327668      7.33258549    -13.20663011
  H     11.34660857     10.61811617    -14.31541345
  O     14.62675319     10.92188386     -9.29844364
  H     16.63520300     10.59367030    -12.72660364
  H     10.05806188     10.87955347    -13.50051963
  O     13.04621722      7.80745869    -10.85564553
  H     17.56947550     10.64699317    -11.49509319
  H     17.25128288      9.09416240     -9.37793790
  O     14.99524806     10.85611029    -13.39563151
  H     11.09197975      5.49395568    -15.39466105
  H     17.28455080      7.79083158    -10.19473167
  O     16.38073634      6.50885862    -15.96607583
  H     11.64996531      6.60086089    -14.46970257
  H     11.80788262      7.60395629    -12.27511630
  O     14.44818638      8.18837996     -8.44370461
  H     14.00797833     10.96565258    -10.03875233
  H     11.12926155      8.57873628    -13.25836255
  O     18.67622472      6.82189744    -14.54872093
  H     14.47929803     10.06054085     -8.88740758
  H     18.10790771      9.98171105    -14.18661375
  O     14.46185833      5.03070907    -14.68820489
  H     13.72727324      7.35280082    -11.37559042
  H     18.51572734      8.71274988    -14.94748854
  O     16.36399377     10.09077419    -17.09420847
  H     13.39233853      7.86468439     -9.95714309
  H     18.05102425      7.20020079    -12.81004387
  O     14.76571646      8.44594154    -14.61872759
  H     14.31146422     10.84159075    -12.71392293
  H     17.55225965      8.51755600    -12.17695279
  O     10.91428476     10.46243900    -13.45653282
  H     14.95081389      9.99710669    -13.84728045
  H     16.35107724     11.05777345     -9.55080690
  O     17.01295141      8.15909295     -9.34443771
  H     16.05384318      6.83933069    -16.81091292
  H     17.71083413     11.64843050     -9.10725782
  O     11.35085335      7.64946050    -13.12420037
  H     15.72128307      5.89673629    -15.60195626
  H     15.67181679      8.71104705    -17.82552434
  O     18.21529134      9.61980328    -15.07494554
  H     15.36850323      8.09037916     -8.74849105
  H     15.43285999      7.84857975    -19.09113667
  O     17.58204849      7.55775226    -12.04676159
  H     14.40363377      7.79695074     -7.57557682
  H     12.20717138     10.62213707    -12.12652041
  O     17.31493710     10.99676403     -9.67942049
  H     17.88824593      6.64153871    -15.09116587
  H     13.00112706      9.57783794    -11.30599490
  O     15.26330413      7.88676928    -18.15414530
  H     19.36206766      6.23499271    -14.85591080
  H     14.85184008     11.76246825    -14.91662259
  O     12.96754880     10.51727402    -11.54129160
  H     14.62439411      5.38878736    -13.80479283
  H     14.94091736     13.01098219    -15.82432414
  O     14.71120920     12.08493960    -15.82344272
  H     13.55679360      5.28404088    -14.90722742
  H     12.49336658      7.41958804    -16.34637816
  O     12.87311833      8.24030625    -16.68750987
  H     15.80534060     10.80080983    -16.76024559
  H     13.59673919      8.02375654    -17.28969536
          69
 Energy    -251.98475857873393     
  O     20.42849446     10.39285202    -17.21825633
  H     21.04546726      9.74041286    -17.53855750
  H     21.03787692     17.26907975    -16.26781578
  O     16.66332423     18.19256137    -14.99757688
  H     20.94343719     11.19807992    -17.03125427
  H     13.56557170     10.60404406    -14.73869606
  O     21.85355494     13.86326606    -14.03584728
  H     17.06663001     18.00609735    -15.86474186
  H     15.00290564     10.88369862    -14.23539115
  O     14.96030349     13.92564039    -14.45864657
  H     16.44319633     19.12070292    -14.99711116
  H     21.54929946     15.72646429    -14.48352692
  O     16.30291837     11.58938368    -16.85849568
  H     21.00620080     13.42596980    -13.84563580
  H     20.45814675     16.77505271    -14.18573699
  O     16.42982651     10.58426881    -13.25730087
  H     22.45113468     13.61494058    -13.33421097
  H     16.31344094     13.52022947    -13.24745225
  O     21.75389742     12.68839465    -16.66279635
  H     15.33577740     14.15213253    -15.32299746
  H     17.05988504     14.10012460    -12.02893809
  O     20.38131914     14.85012224    -17.74133832
  H     14.56074904     13.05341957    -14.55673457
  H     17.69628264     10.97058723    -15.84830066
  O     15.17437373     16.46139421    -13.26005965
  H     16.28747302     12.55312657    -16.94919656
  H     19.13232857     10.39930427    -15.91053987
  O     19.39115574     12.68303493    -13.75780752
  H     15.53673094     11.35787932    -16.32121481
  H     16.26752727     16.08472520    -19.93708026
  O     18.27396973     11.35846857    -18.91177050
  H     16.63568268     11.41832662    -12.81580931
  H     17.42149863     15.18145778    -19.43658829
  O     20.81184849     17.55449326    -17.17167737
  H     17.17071121     10.40924992    -13.85267762
  H     18.27740689     16.45538662    -12.84513860
  O     14.31117323     11.18715184    -14.85068759
  H     21.93314296     13.04304549    -15.78534850
  H     18.03484163     17.35884485    -14.07797921
  O     21.29231354     16.63980218    -14.65650833
  H     21.38232003     13.42638517    -17.16628907
  H     18.89962530     17.64837837    -17.33826458
  O     16.97454423     13.30818110    -12.57260279
  H     20.66717557     15.77052492    -17.72651150
  H     17.60232990     17.08817968    -17.99336800
  O     18.41808280     10.62686532    -15.30152929
  H     19.75828561     14.76279522    -17.00392711
  H     16.34976766     16.13854309    -12.02700627
  O     16.77029952     15.85413408    -19.16125173
  H     14.94088897     15.62614645    -13.68771494
  H     16.94627258     16.26234404    -10.60098003
  O     18.67733884     16.76488966    -13.66650149
  H     15.55409284     17.02931102    -13.94208485
  H     18.65984706     15.43360948    -14.97119588
  O     17.93635765     17.67697662    -17.30572118
  H     19.15260653     11.90349971    -14.28007055
  H     18.90701776     13.91042701    -15.02671786
  O     17.10807763     15.89219957    -11.46421406
  H     18.61093773     12.91759661    -13.23613017
  H     19.33018624     14.27522152    -19.14244908
  O     18.64536819     14.66981056    -15.56167134
  H     19.02138417     10.99860606    -18.42046515
  H     18.47270509     13.05611079    -19.54663990
  O     18.60866867     13.99767507    -19.72272694
  H     17.51787627     11.31157289    -18.31363097
  H     16.27390305     14.88142456    -17.65697746
  O     16.25601057     14.37369756    -16.83845738
  H     21.44871896     18.21984740    -17.41743646
  H     17.11638712     14.50807280    -16.41055797
          69
 Energy    -251.98324643658205     
  O     -6.42207170      2.66316945     -0.53924129
  H     -5.49819464      2.92571486     -0.66353645
  H     -5.51329033      0.28540388      4.09526721
  O     -4.36022197      1.12384109     -4.41949231
  H     -6.68634789      3.03751693      0.31028621
  H      0.31634695      1.50491801      4.58398233
  O     -6.78859756      3.58218130      2.10377005
  H     -5.20238403      1.34705418     -3.98346907
  H     -0.40558030      0.67734392      3.49097686
  O     -3.11579826     -1.72239755      3.28278440
  H     -4.43498481      1.41132949     -5.32543735
  H     -0.43044659      2.43038625      2.23629176
  O     -4.17138787     -1.17708941      0.77839441
  H     -7.41586069      4.19471577      2.47913086
  H     -1.56435696      2.12424337      1.25022332
  O     -4.66725864     -1.50433286     -3.29991821
  H     -5.90311522      3.90094102      2.35435203
  H     -3.64011583      2.53026630      0.09780692
  O     -6.63002859     -0.05379622      0.16384293
  H     -3.68998082     -1.21336090      3.86520466
  H     -3.27990754      3.98925650     -0.24978569
  O     -2.56152630     -1.15227542     -1.46824726
  H     -3.53700274     -1.68961417      2.41150717
  H     -7.76126210     -1.87519955     -2.66555064
  O     -2.45712973      1.50465082     -2.38549002
  H     -3.66393790     -1.26858964     -0.03930237
  H     -6.29045350     -1.39347228     -2.66673434
  O     -0.59343992     -0.79634329      2.68121780
  H     -5.05429820     -0.85973956      0.54669858
  H     -3.65685889      1.40527620      4.42677897
  O     -0.07628994     -1.23830952     -0.13438808
  H     -4.51140756     -0.70119983     -3.81233437
  H     -2.20258169      1.91720011      4.13044988
  O     -4.84743103      0.04383723      4.76489298
  H     -3.91866874     -1.57444684     -2.69319932
  H     -6.70894978      1.76698299      2.68086986
  O     -0.36238356      1.55535349      3.91750000
  H     -6.53564666      0.87383335     -0.09492087
  H     -6.70931818      0.38389926      2.00801281
  O     -0.77041066      2.67092233      1.36610510
  H     -6.92805599     -0.52689312     -0.62297206
  H     -3.48792765      0.46065757      1.19727317
  O     -3.72383861      3.20768841     -0.59581155
  H     -1.71428510     -1.34087145     -1.04638368
  H     -3.31048619      1.59032994      2.25996681
  O     -7.18374760     -1.19387588     -2.33278048
  H     -2.52465254     -0.22877873     -1.75745070
  H     -1.58674502      4.26025705      1.11791112
  O     -3.14125465      2.12058881      4.03051480
  H     -2.89689658      2.15373992     -1.81869515
  H     -1.63993576      5.77848077      0.83122502
  O     -6.60393018      0.82481994      2.86012354
  H     -3.00974473      1.41568066     -3.17216555
  H     -6.72583101      2.02939732     -2.28536959
  O     -3.20850212      1.37456718      1.32449025
  H     -0.43448523     -0.99998405      1.75416036
  H     -7.02486564      0.64535885     -2.89756710
  O     -2.18720137      5.00755445      0.95636922
  H     -1.44314257     -1.19747991      2.92094547
  H     -3.88472187      3.66621800      3.36527934
  O     -6.70842645      1.53155359     -3.11297166
  H      0.05227839     -0.32543502     -0.44915568
  H     -3.61069675      4.68776325      2.23989374
  O     -4.29619477      4.36204475      2.83304646
  H      0.70834791     -1.72512749     -0.37442325
  H     -0.10660702      1.90185661     -0.23553099
  O      0.02906422      1.33524324     -1.00574023
  H     -5.32720605     -0.22793514      5.54259771
  H     -0.72626928      1.47926374     -1.59110925
          69
 Energy    -251.94193309599748     
  O     13.58560294      9.80309727    -15.93181860
  H     14.27797806      9.26151775    -15.51900510
  H     15.53503189      5.39243365    -15.99243657
  O     15.95470488      6.27604922    -13.00558977
  H     13.90485887     10.71411070    -15.90238276
  H     20.61205134      7.47384584    -14.29190953
  O     17.44778017     10.48076584    -11.60693902
  H     15.15547628      6.36363236    -12.47029518
  H     19.16673373      7.69092459    -14.80117849
  O     17.16654257     11.18055608    -16.33027201
  H     16.67471057      6.72533376    -12.54100563
  H     16.48549210      8.41024517    -15.14241303
  O     13.76723816      5.74310450    -16.58877847
  H     16.63681712     10.69424553    -12.09200707
  H     15.61656632      7.73402812    -14.07593206
  O     13.95164356      9.54419012     -9.26914623
  H     17.22686405     10.53978599    -10.66947259
  H     10.65070855      9.51820744    -14.63299190
  O     13.58493949      6.79889142    -11.67518806
  H     17.21947561     10.47884414    -16.98693692
  H     12.16886182      9.45960082    -14.93205409
  O     15.21431072     10.80414340    -13.16997391
  H     17.78407107     10.96857283    -15.61397213
  H     17.44187691      7.44388729    -10.09042351
  O     17.06537067      8.98632528    -18.22261388
  H     13.32436104      6.00784821    -15.76366264
  H     16.95655828      8.45466214     -9.03627633
  O     14.39911291      6.71511087     -9.00130093
  H     13.25744322      5.02097490    -16.94817290
  H     12.04683715      7.37002782    -14.31285110
  O     17.96480714      7.51902976    -16.03672866
  H     13.52775694      9.63835971    -10.13187946
  H     12.83059364      6.42764866    -13.38721539
  O     16.41246240      5.32589409    -15.59669108
  H     13.96808091      8.59717076     -9.08256423
  H     18.44041094     10.67605560    -13.25884005
  O     19.77124179      7.85555163    -14.05511277
  H     13.77682114      6.63910197    -10.74268223
  H     19.24806664      9.70897761    -14.13294673
  O     15.68154765      8.52624889    -14.62401813
  H     13.42439762      7.74967747    -11.75998468
  H     17.80617881      8.69246487    -11.78154318
  O     11.48285438      9.20027229    -14.29261991
  H     15.47067513     10.00015893    -13.65143509
  H     18.71014257      7.68341713    -12.52236637
  O     16.98021356      7.51227853     -9.24460095
  H     15.06578721     11.47729596    -13.84365661
  H     16.61469230     10.89848300     -8.18301020
  O     12.51819713      6.52889782    -14.29474062
  H     16.14655313      8.66444135    -18.19408659
  H     15.58650254     10.13414653     -9.05055697
  O     18.77711505     10.55005030    -14.15411917
  H     17.30395104      9.05481112    -19.14310846
  H     14.04667060      8.77496247    -17.44406555
  O     18.01819105      7.75028408    -11.85306313
  H     15.34947178      6.91701933     -9.07660841
  H     14.28143536      7.26356913    -17.58553406
  O     16.53419815     10.33443832     -8.94739976
  H     14.30234231      6.11333239     -8.26853695
  H     12.39350663      9.49235593    -12.65043802
  O     14.50597678      8.11583715    -17.98024114
  H     17.76975154      7.94317326    -16.88024386
  H     13.79989786     10.04865264    -12.32937296
  O     13.06141519      9.54537143    -11.95666388
  H     17.46268656      6.68964930    -15.98220640
  H     15.71972330     11.93372202    -15.86809537
  O     14.86174470     12.27832167    -15.55208966
  H     16.28072527      5.47120841    -14.64844529
  H     14.81925047     13.19398309    -15.81041070
          69
 Energy    -251.93989625102611     
  O     14.06910158      8.94008138    -10.90441967
  H     14.01118072      9.73389509    -11.45623247
  H     14.61119453      4.55728658    -15.95432706
  O     13.10847118     10.93948416    -16.28104470
  H     13.35535518      8.35591905    -11.18931451
  H     18.53918642      2.92132146    -11.90246635
  O     16.73958826     10.97671310    -13.41702869
  H     12.87481139     10.17692093    -15.73652739
  H     18.05235071      4.12921352    -12.73950850
  O     13.59366771      5.00591535    -12.56199723
  H     13.04858847     11.71014941    -15.70275575
  H     18.30535797      7.97943429    -15.31065906
  O     17.02206134      6.44959602     -8.74835009
  H     17.24020645     10.90252768    -12.59633999
  H     18.93190788      7.57403535    -13.96999421
  O     16.00975683     12.99685639    -15.24927967
  H     15.80321427     10.90047335    -13.18568839
  H     14.35110806     13.20093732    -14.72435363
  O     16.01106510      7.41038398    -12.26286158
  H     14.29049559      4.87078395    -11.90551926
  H     13.08576565     14.01752166    -14.36170769
  O     13.98875642     10.87010523    -12.87020167
  H     13.99552972      4.83591051    -13.42234124
  H     13.67490291      8.35135961    -14.65845969
  O     18.70525022      8.10324684    -12.17735901
  H     17.20591432      6.18255337     -7.85141924
  H     12.46355973      8.30415117    -13.69944828
  O     18.08608764     10.58205966    -10.96366544
  H     17.84482999      6.31926322     -9.25539082
  H     15.52696462     11.26238355    -18.33666906
  O     17.68278598      4.76450165    -14.26700347
  H     15.98548068     12.48220093    -16.06576512
  H     14.68444329     11.01829840    -17.06206756
  O     14.92043623      4.85338340    -15.10176961
  H     16.42465246     12.42165290    -14.59174639
  H     12.64023696      6.42944629    -12.30069792
  O     18.17950340      3.80056550    -11.82951138
  H     15.41671100      7.98217684    -11.76112144
  H     11.28346978      6.99664028    -11.82458979
  O     18.75524293      7.25268123    -14.86466741
  H     15.95974155      6.53236236    -11.86380537
  H     16.09472422      5.42659214    -10.04868718
  O     13.42462714     13.12958888    -14.43040576
  H     13.71905056     11.71587270    -13.24789622
  H     16.59317621      4.47214751    -11.16515062
  O     12.87074892      8.82773984    -14.39976625
  H     13.59718756     10.18296812    -13.42997843
  H     18.97148959      5.22996057    -10.85955474
  O     15.59231070     11.13574575    -17.39395397
  H     18.70968526      8.98458329    -11.78826164
  H     19.15758443      6.75771826    -10.99228165
  O     12.14374937      7.25337856    -12.14622047
  H     17.76961917      7.85449165    -12.24114376
  H     15.53205882      7.45620113    -13.96174870
  O     15.82844681      4.98258346    -10.86403119
  H     18.58800718     11.19927918    -10.43830057
  H     15.86984635      8.14270903    -15.30798624
  O     19.15412516      6.03142283    -10.35313612
  H     17.49166191     10.11085603    -10.35240234
  H     16.61050297      8.26988038     -9.11305117
  O     15.24301807      7.54284460    -14.88420714
  H     16.78376840      4.72399363    -14.60785646
  H     15.50082549      9.14599646     -9.72983240
  O     16.39549077      9.17612006     -9.36539185
  H     18.06586669      5.60517354    -14.55884498
  H     17.05625064      9.93430072    -14.89981836
  O     17.07503670      9.41901970    -15.72007701
  H     15.00156454      5.82184191    -15.15295473
  H     16.66617597      9.96979061    -16.39863025
          69
 Energy    -251.93116856007907     
  O     12.42523143     11.52966295    -15.27004640
  H     13.29871962     11.79570428    -15.57821101
  H     12.07449202      5.96818458    -14.42608326
  O     14.48682049      6.77857533    -12.56424076
  H     12.26689218     10.65105405    -15.64285516
  H     15.42724401     10.52498665    -17.13031809
  O     17.83765602      9.28469700    -13.18222603
  H     15.42423197      6.56347498    -12.48741629
  H     16.31467325      9.26643040    -17.07945461
  O     17.18497874      8.34733346    -15.75648080
  H     14.43094222      7.42836495    -13.28303883
  H     13.77671424      8.71804596    -15.13724446
  O     10.70906628      7.30657753    -14.40845633
  H     17.09294587      9.90050777    -13.24315054
  H     15.31840908      8.42578157    -15.14542151
  O     16.28648549     10.62874074     -9.50130573
  H     18.26778517      9.47853777    -12.34011285
  H     11.98469354     11.65998082    -13.59989988
  O     13.47651250      8.37440937    -10.58561467
  H     17.58111541      8.71981193    -14.95787381
  H     11.06523476     12.34570395    -12.56289218
  O     15.57286055     10.87561860    -13.46475242
  H     17.31889757      7.39176217    -15.71555769
  H     18.06497902      8.02601308    -10.11039412
  O     14.77726227      5.69432044    -16.40227332
  H      9.79154095      7.05099799    -14.36582046
  H     17.49001006      6.79937464    -10.83812810
  O     15.40178165      8.07420599     -8.54885424
  H     10.88610506      7.84708610    -13.61699677
  H     11.90575665      8.64155125    -11.59327073
  O     17.24122423      5.56701328    -15.35684710
  H     15.54348644     10.95917333    -10.02187345
  H     11.34603041      9.82852932    -12.40199919
  O     12.86783838      5.42045741    -14.42507675
  H     15.95695457      9.84310429     -9.04621007
  H     17.31739857      6.09527563    -13.54306409
  O     15.62004174      9.70233837    -17.59432609
  H     13.82124781      7.76047855    -11.25269404
  H     17.45142337      7.48426441    -12.87017239
  O     14.56104543      8.62768710    -14.58255615
  H     14.00731137      8.23354039     -9.79296614
  H     17.83021457     10.18365305    -10.18594662
  O     11.73984690     11.67846517    -12.65739487
  H     15.12012818     11.05764358    -12.63201025
  H     19.37438298     10.27208557    -10.13191535
  O     17.55641789      7.21745264     -9.97007305
  H     15.13683813     10.09058266    -13.83651575
  H     14.45400502      8.48470643    -18.03546746
  O     11.26450871      8.87577441    -12.27607326
  H     14.44110568      6.32785501    -17.04377155
  H     13.69897589      7.65844546    -19.10434153
  O     17.26391127      6.55065036    -12.69380591
  H     14.06806875      5.54155290    -15.75930484
  H     13.25040222     11.39709000    -11.59327219
  O     18.65322578      9.80943918    -10.54987005
  H     16.14893550      7.68123580     -9.03506187
  H     13.85165378     10.11657487    -10.96998279
  O     13.80071913      7.77273895    -18.16321907
  H     15.39907964      7.67731641     -7.68206428
  H     15.39600161     11.71954034    -15.03807731
  O     14.04299232     11.04614584    -11.16835648
  H     16.34148117      5.54569266    -15.73399911
  H     15.61682587     12.86187275    -16.05470620
  O     15.17088955     12.02713116    -15.93230628
  H     17.72140434      4.84437894    -15.75131471
  H     11.65233493      8.28172792    -15.65180861
  O     12.24172175      8.88337972    -16.12611695
  H     13.38419768      5.71578021    -13.66300819
  H     12.60389696      8.42851459    -16.89707197
          69
 Energy    -251.92163185402103     
  O     -4.59819323      2.60450018      1.31399447
  H     -4.24913276      3.44217023      0.98476411
  H      0.07881204      1.60181983      5.04210623
  O     -1.55831605     -3.13739096     -0.19742453
  H     -4.30098921      2.52330064      2.22849220
  H     -1.83853226      2.77755896     -1.83746775
  O      1.05861832      4.06627018     -1.29672392
  H     -0.63423789     -3.28092054      0.04049292
  H     -0.82022826      3.88951282     -1.51603279
  O     -1.60100339      0.89673338     -1.96246252
  H     -1.96436938     -2.71350527      0.57007100
  H      1.31875388     -0.52667277     -1.65321977
  O     -0.42976763     -0.12499283      4.89754581
  H      1.17575169      4.28889322     -0.35591543
  H      0.38663901     -1.62431041     -2.20015659
  O      1.27618556      4.65248831      1.33947010
  H      1.59395627      4.67983693     -1.79282183
  H     -2.46583335      1.93696948      3.19208695
  O     -1.25261664      1.98977713      1.85771014
  H     -1.65802096     -0.00438945     -2.30477745
  H     -2.94787358      2.81682148      4.35495044
  O     -3.26287178     -0.59262510      4.49931622
  H     -0.68394782      1.01317985     -1.67141856
  H     -2.81351404      4.51062488     -0.46505192
  O     -1.49830655     -1.83869545     -2.58695194
  H     -0.03579288     -0.65457175      4.19312294
  H     -3.85867164      5.62919694     -0.24363831
  O     -2.39964056     -1.54891468      1.97146029
  H     -1.36653364     -0.35094349      4.89685150
  H     -2.68815705      0.68831287     -0.52544879
  O      0.34645585     -1.46195268      2.49972897
  H      0.39119564      4.83052081      1.68369055
  H     -3.73530269      1.22357234      0.53459520
  O      0.38826797      2.52038546      5.02241851
  H      1.71381062      4.09274146      1.99189545
  H      1.18361879      1.11916695     -0.21143871
  O     -1.76554335      3.70342980     -1.57536455
  H     -0.36121929      1.63217660      1.77981203
  H      1.16191825      2.20014884     -1.31748483
  O      1.24403101     -1.48171423     -1.78088396
  H     -1.82036134      1.50636401      1.24383877
  H     -1.71423922      4.57785278      3.95833984
  O     -3.20081911      2.05944968      3.81464651
  H     -3.35382395      0.35686626      4.31016010
  H     -1.98590507      5.11860865      5.38201186
  O     -3.35992668      4.95487683      0.20948607
  H     -3.96077939     -0.82096893      5.10787314
  H      1.78615451      1.48245727      2.16580624
  O     -3.07725706      0.53835490      0.34581818
  H     -1.87777961     -2.39359433     -3.26295712
  H      1.07436954      0.08745202      1.95224360
  O      1.05078224      1.25481873     -1.16232266
  H     -1.60436365     -2.31393074     -1.74325524
  H      1.91412405     -3.77908629      0.30255913
  O     -1.89508651      4.31474365      4.87734322
  H     -2.69435580     -0.84165354      1.37624594
  H      1.33704165     -2.51031522     -0.36811470
  O      1.29889870      0.93321554      1.53936532
  H     -2.77969510     -1.35962239      2.83680614
  H      1.68023082      2.75785119      3.94145307
  O      1.25747542     -3.09583646      0.40636195
  H     -0.60332544     -1.47688677      2.30829606
  H      3.20653909      2.91642060      3.73382310
  O      2.37947713      2.84138923      3.26628653
  H      0.75362018     -2.08636957      1.88611473
  H     -1.29817398      3.74177763      2.04510408
  O     -1.40984606      4.69562251      2.19680580
  H     -0.38585948      3.08731819      5.08708034
  H     -2.08714105      4.97625207      1.56944969
          69
 Energy    -251.90407640384504     
  O     11.71668438      5.99955983    -14.78006905
  H     11.25689794      6.34739857    -14.00509392
  H     12.04790174      8.30888759     -9.29968383
  O     11.29416075      9.03516575    -10.94236899
  H     12.53369289      6.50613204    -14.87106022
  H     13.19444883      3.30605490    -13.24592168
  O     17.11983258      6.49543633    -11.48999274
  H     11.04610350      9.94889531    -11.05920326
  H     13.85019072      2.92697694    -11.87242213
  O     13.50663017      2.25975174    -10.25889750
  H     12.11644073      8.90212807    -11.44534216
  H     13.43382638      4.97614044    -11.73747136
  O     15.24707951      8.46638839     -8.37718001
  H     16.72707393      7.36917525    -11.35017266
  H     12.96344985      5.53756501    -10.35530259
  O     16.38076221      8.85439358    -15.66866752
  H     17.96598290      6.64723078    -11.92919708
  H     20.22393135      7.01542007    -13.22687957
  O     15.76187379      5.30924250    -13.62815195
  H     14.01407402      2.66222065     -9.54305261
  H     18.85634371      6.86114440    -13.93645063
  O     10.81434652      3.03283931     -9.59805142
  H     12.57888977      2.39858979    -10.03154589
  H     13.52601628      7.40268038    -11.79639443
  O     17.58288569      9.50764523    -13.31414428
  H     15.39989682      8.93391672     -7.56024954
  H     13.77311052      8.10903280    -13.14657601
  O     14.73560815      3.71291419     -8.11804087
  H     14.28655473      8.31615189     -8.43770049
  H     15.89882740      6.69842233     -8.67651561
  O     12.38707575      5.15082521     -8.63651101
  H     16.78498701      9.16101153    -14.83712678
  H     16.57819547      5.91002481     -9.81443319
  O     12.59664366      7.95713996     -8.59013857
  H     16.52914702      9.53903137    -16.31522778
  H     15.81762578      8.96052410    -10.09132593
  O     13.94610789      3.47701306    -12.66448513
  H     15.21585120      4.56080335    -13.35379850
  H     15.12666398      8.85988002    -11.47079228
  O     13.12240045      5.76608135    -11.27867922
  H     16.18421147      5.66344489    -12.83284098
  H     17.34868951      7.16566923    -15.56734246
  O     19.29370176      7.20008715    -13.13426439
  H     10.12894068      2.49738303     -9.20775250
  H     17.11201878      5.84560196    -14.80963547
  O     13.61300761      8.27781742    -12.20892399
  H     10.49529673      3.29437712    -10.48030747
  H     10.56147354      7.42849987    -11.80190237
  O     16.18264046      5.81468706     -8.93844423
  H     17.07018003      9.50206030    -12.49522821
  H     11.47327334      6.20104963    -11.90547650
  O     15.98081426      9.01783512    -11.04067994
  H     18.27587276      8.84550452    -13.19907631
  H     14.85515189      7.90657539    -15.16957092
  O     17.79619017      6.37368224    -15.24540571
  H     15.31193679      4.43768495     -8.42293659
  H     14.71828956      6.59093424    -14.36505948
  O     10.62400740      6.55935676    -12.21023479
  H     15.15997761      3.32734266     -7.35664178
  H     11.69950760      4.27550723    -14.57974167
  O     14.21441457      7.33576474    -14.72871866
  H     13.16922498      4.67634890     -8.32302892
  H     11.50103596      2.83839711    -15.12122115
  O     11.68547752      3.33375897    -14.32794838
  H     11.73949661      4.47781414     -8.88493033
  H     10.51219345      3.53717427    -12.83166432
  O     10.02458599      3.83099000    -12.05274667
  H     12.40612219      7.01132920     -8.52521983
  H     10.00548347      4.79617418    -12.10579796
          69
 Energy    -251.90277802883259     
  O      1.30406198      0.56984494      4.50099795
  H      0.60206246     -0.00789200      4.85175710
  H     -1.59641097      3.13457755      2.21299487
  O      1.22843022     -0.09218161     -3.03077133
  H      1.82776800      0.84571758      5.24863925
  H      0.40760934      1.74171661      3.31810687
  O     -0.69844996     -0.99366826      5.43493667
  H      1.27649051     -1.04217520     -2.86193204
  H      0.49718357      2.03955736      1.80054960
  O     -0.77403480      0.58413422     -1.10268317
  H      0.44411038      0.21368580     -2.55751713
  H     -2.05913598      1.77500050     -0.91898423
  O      1.44712592     -2.75923040     -2.02164587
  H     -1.56127336     -0.55788528      5.41817865
  H     -2.95703690      2.87491800     -1.53066431
  O      3.24381081     -1.63390743     -0.30533455
  H     -0.84906183     -1.89306148      5.11936447
  H     -2.34336739      0.00828608      3.26536384
  O     -4.16950299      2.67616637      3.98580784
  H     -0.95007639     -0.35414239     -0.94304401
  H     -1.32797212      0.81402333      2.40908346
  O     -3.63060212     -3.12733277      3.05970752
  H     -0.02412152      0.83426485     -0.54477476
  H     -0.20713829     -2.48030943     -1.17791681
  O      3.31376557      0.93564815     -1.61953084
  H      1.79342738     -3.56603758     -2.39343444
  H     -0.71131102     -2.27572056      0.27305887
  O     -5.86218506      0.76057304      2.68120831
  H      2.10756925     -2.43743320     -1.38245473
  H      1.97354411     -0.38011896      2.98627297
  O     -5.47127888     -1.34889153      4.32159083
  H      2.97684519     -1.44949915      0.60436609
  H      1.25153126     -1.39348940      2.07738733
  O     -2.49691344      3.39330546      1.97362558
  H      3.44256724     -0.77836223     -0.70562714
  H     -3.49499377      1.08687561      4.70824321
  O     -0.05698793      2.16404610      2.58434634
  H     -4.43408355      3.47152444      4.44039689
  H     -3.95163021     -0.39060825      4.83335674
  O     -2.77969084      2.39896847     -0.72340426
  H     -3.59262586      2.95515502      3.25269965
  H      2.14048107      1.34711407     -0.22695887
  O     -1.91514883      0.04785156      2.39987841
  H     -4.32703369     -2.58693279      3.44772309
  H      1.67404382      0.53482804      1.00702812
  O     -0.95684602     -2.16645152     -0.65831138
  H     -3.65451781     -2.98041418      2.10279603
  H     -2.16327592     -3.43072215      3.85661291
  O      2.03955378     -0.83105571      2.13628105
  H      3.94779731      1.40799333     -2.15146236
  H     -1.24245688     -4.42882367      4.60222480
  O     -3.18378946      0.19237412      4.90177186
  H      2.61837705      0.61636604     -2.22280841
  H     -0.54851572     -2.78901983      2.73569238
  O      1.44909627      1.29043407      0.44320302
  H     -5.35841664      0.58363059      1.87379961
  H     -0.92934305     -1.41097744      2.14716302
  O     -1.28007121     -3.54096937      4.25887423
  H     -5.41415237      1.50099159      3.10801763
  H     -3.92790135     -1.58996551      0.31238798
  O     -0.34058264     -2.17301256      2.02375437
  H     -6.27325646     -1.61474781      4.76281961
  H     -2.78985481     -2.51674061     -0.13329034
  O     -3.62732723     -2.50780202      0.34502046
  H     -5.71209842     -0.63275652      3.70635305
  H     -3.80407112      1.00116524      0.05434408
  O     -4.04788445      0.26618056      0.62714791
  H     -2.61800838      3.13178904      1.05326434
  H     -3.30193308      0.15628948      1.23789855
          69
 Energy    -251.88764348318045     
  O     11.31457818      8.79786178    -14.58692265
  H     11.92998895      8.69186131    -15.32448260
  H     16.07052852      6.75515842    -16.67729352
  O     17.03864507      7.52452155    -13.78894203
  H     11.34985737      9.73027141    -14.34365721
  H     14.54040768     12.39014786    -15.04457485
  O     16.05318849     11.20178648    -11.45322815
  H     17.54780723      8.19864288    -13.31928357
  H     13.90534958     11.88164808    -16.35211157
  O     16.09941056     12.01990375    -14.13651288
  H     16.56039138      7.00611799    -13.12777580
  H     15.71541035      8.70179311    -14.20603854
  O     14.32898206      5.91042733    -16.63228328
  H     15.14733848     10.90073344    -11.61651002
  H     15.43487941     10.21907805    -14.44804254
  O     15.09644430      7.89909169     -8.73213178
  H     16.22790571     11.04476353    -10.51726065
  H     10.67254678      6.33750506    -12.73913847
  O     15.51928377      6.20814250    -11.89540472
  H     17.00015546     11.87149883    -14.45079756
  H     11.42020011      7.49065470    -13.44831208
  O     13.57183727     10.22609974    -12.20268464
  H     16.11886092     11.94248489    -13.17320398
  H     18.58165844      8.95623785    -10.84966959
  O     17.12647621      9.98522106    -16.93415657
  H     14.15371087      5.11294031    -17.12407231
  H     18.15923393      7.80574506     -9.89324484
  O     17.07556013      6.23743255     -9.55978350
  H     14.15943516      5.70376692    -15.69519335
  H     12.98525423      5.83141964    -13.65338851
  O     18.60795948     11.08992309    -14.99065598
  H     15.45908179      8.79307701     -8.72702595
  H     14.46074467      5.55019216    -13.31770410
  O     16.88159891      7.26095151    -16.55767488
  H     14.39098779      7.88298470     -9.39289801
  H     17.45550507     10.20960965    -12.18485601
  O     13.70116675     12.32779556    -15.52184548
  H     14.80273470      6.77519043    -11.57613624
  H     18.48365432     10.17181773    -13.34609685
  O     15.01717322      9.35541372    -14.34199874
  H     16.10517524      6.06104263    -11.14307047
  H     16.94135643     10.79866200     -8.06783428
  O     11.53070527      6.74212889    -12.83469538
  H     14.02682967      9.81543471    -12.95676517
  H     17.36334012      9.78280464     -9.15791591
  O     18.50579651      8.70604783     -9.91939563
  H     12.85916978     10.75039367    -12.58516388
  H     14.01625789      9.91359627    -17.40260379
  O     13.80050852      5.46447104    -14.01644131
  H     16.28092421     10.30028822    -17.26787992
  H     14.17218287     10.76656478    -18.68237651
  O     18.20230861      9.71031638    -12.54593558
  H     17.06253754      9.01868047    -16.88854338
  H     12.67229620      7.34909139    -11.47413634
  O     16.62933753     10.34333764     -8.84543678
  H     16.36417710      6.78060360     -9.17238742
  H     13.41385250      8.68716018    -11.30607674
  O     14.43292624     10.71356559    -17.76615302
  H     17.29651250      5.56987487     -8.91579657
  H     11.07602722     12.23832145    -13.77346902
  O     13.37561168      7.77916273    -10.97194252
  H     18.12837894     10.66812646    -15.72860768
  H     12.39538445     11.84848193    -14.47943074
  O     11.71813127     11.53816699    -13.85117855
  H     19.38785101     11.49087593    -15.36394712
  H     13.98372345      8.81574187    -15.67754564
  O     13.42926490      8.54400451    -16.42787767
  H     17.06508195      7.23219501    -15.60760163
  H     13.66576234      7.62866760    -16.62319115
          69
 Energy    -251.87100864325279     
  O     -2.46477254      1.94827968      1.49931677
  H     -1.56505733      1.75632656      1.18014713
  H     -2.59926001     -6.80029971      0.73088509
  O     -2.40229304     -0.54420403      6.55387911
  H     -2.66640280      2.84063954      1.23025115
  H      2.75684588     -1.36038570      2.58582311
  O      2.10692248      0.48608042      2.38027892
  H     -2.46121098      0.04304999      5.78887267
  H      2.59989595     -2.81165907      2.08032409
  O     -2.62895749      0.61890872      3.95781229
  H     -1.54288296     -0.98167721      6.49281338
  H     -0.58470091     -1.57996006      0.77890293
  O      2.25220349     -3.42514257      5.19939144
  H      1.36015334      0.25157458      2.96039747
  H     -0.36691169     -1.45290378      2.32425400
  O     -4.26146542     -2.45830099      6.02879787
  H      2.61652713      1.14657298      2.84476565
  H     -1.90023441     -3.12531651      2.04510117
  O     -0.13274491     -2.13444813      5.85693735
  H     -3.18091141     -0.14122069      3.72165507
  H     -2.63587881     -4.47519548      1.81942930
  O      0.33068209     -5.48178410      4.50579724
  H     -2.62944632      1.20879114      3.19341669
  H      0.80572739     -3.17397794      1.18354785
  O      0.00408952      1.31059414      0.58003382
  H      2.51718577     -3.01597589      4.35684679
  H      1.48570472     -3.59916232     -0.13144684
  O      0.23886300     -5.99062815      1.78605306
  H      3.05657963     -3.67410426      5.64708402
  H     -4.42279057     -1.88679386      4.20419462
  O     -1.69321721     -4.20395708     -1.43069949
  H     -4.90482636     -2.56344064      6.72423951
  H     -3.72343425     -2.35952938      2.91371720
  O     -2.22442255     -5.92458136      0.75123150
  H     -3.64926924     -1.75646638      6.31477158
  H     -0.07408461     -3.69176081     -1.75529465
  O      2.91391363     -2.27985612      2.82497059
  H     -0.78465351     -2.79820296      5.58638387
  H      1.14572725     -3.58857263     -2.70589290
  O     -0.56676045     -2.07061983      1.60974155
  H      0.73422857     -2.55356397      5.78115949
  H     -0.00567884     -0.97635283      4.50801458
  O     -2.64487848     -3.66861845      2.34691841
  H     -0.50371317     -5.10892679      4.81529449
  H     -0.92855055      0.06594438      3.81992425
  O      1.55530057     -3.67636337      0.82697745
  H      1.01477380     -4.84799183      4.75134951
  H     -1.40486966     -1.13225343     -1.22270506
  O     -4.20383831     -1.61367721      3.30552180
  H     -0.09393295      0.61335057     -0.08385585
  H      0.06159597     -1.62198111     -1.35992668
  O      0.80117285     -3.27697176     -1.87376074
  H      0.79234334      1.09138285      1.08887936
  H     -3.50190461     -1.28839694     -0.59945174
  O     -0.06299915     -0.35982556      3.76538374
  H      0.29074454     -5.90508552      2.74933510
  H     -3.76414200     -1.56299106     -2.09602170
  O     -0.49178383     -0.92804993     -0.97939671
  H      0.81463085     -5.30646903      1.42415612
  H     -2.84444278     -3.63828350      5.47505817
  O     -3.15163815     -1.74147942     -1.38684308
  H     -1.91958910     -4.82169092     -0.72461314
  H     -2.22850601     -3.95018965      4.09602096
  O     -2.05430462     -3.98863597      5.04785162
  H     -2.29997724     -3.45699433     -1.35922884
  H     -4.23665734     -0.76447795      1.61262669
  O     -4.00333604     -0.36100607      0.76755293
  H     -1.32241164     -6.01059233      1.11540641
  H     -3.52627567      0.45181811      0.97380279
          69
 Energy    -251.87041206912002     
  O     12.87597925     11.39077792    -14.68214456
  H     13.54393498     11.96561697    -14.28927894
  H     15.93960937      6.45994238    -15.54772795
  O     15.95486548      6.54737761    -13.68629346
  H     13.28989083     10.95898631    -15.44067637
  H     20.59212915      8.74822500    -13.95223232
  O     17.08305286      9.66792347    -10.39216808
  H     15.15405755      6.40531538    -13.16177286
  H     19.14946097      9.23561260    -14.21941206
  O     17.44693449     12.34505924    -13.87758835
  H     16.66982318      6.76561789    -13.07176781
  H     14.92070568      9.39063527    -14.84730162
  O     13.02561970      7.17460594    -16.82170252
  H     16.80922741      9.31314222     -9.53811634
  H     15.58731804      8.28517735    -13.96805630
  O     13.66116818      7.66067642     -8.74018685
  H     16.30757137     10.07544879    -10.80449969
  H     10.37499344     10.08471788    -13.30212430
  O     13.63126899      6.44745359    -12.17581772
  H     17.64207993     11.68465875    -14.55110259
  H     11.82668564     10.34110942    -13.76729649
  O     14.94162200     10.66081013    -11.80525121
  H     17.97657316     12.07770229    -13.11171153
  H     17.32831990      6.39043025    -10.46866023
  O     16.70871790      8.90200743    -17.63090667
  H     12.62818948      7.12800928    -15.93273269
  H     16.78081415      6.77772402     -9.07948120
  O     14.32724636      5.08581056     -9.84694919
  H     12.40277681      6.77521923    -17.42241890
  H     11.68201550      8.02778017    -14.01292069
  O     17.86723751      9.89080049    -15.27651886
  H     13.27771569      8.15043706     -9.48017084
  H     12.51124440      6.78287212    -13.62317075
  O     15.80735857      6.61638002    -16.49251856
  H     13.73615990      6.74395350     -9.03263172
  H     18.38960731     10.71899945    -11.22819939
  O     19.74619115      8.88853046    -13.53469263
  H     13.79000628      5.86177963    -11.42521325
  H     19.39271972     10.44137512    -12.35405591
  O     15.46235723      9.23873436    -14.06334738
  H     13.43065817      7.32005338    -11.80753305
  H     17.58117722      8.24395856    -11.40278537
  O     11.25507615      9.71790548    -13.28423060
  H     14.85509295     11.56716048    -12.11984339
  H     18.62729682      7.81763020    -12.45102181
  O     16.86135134      6.04151961     -9.69917796
  H     15.13435320     10.13406288    -12.59916507
  H     16.29105555      8.49917772     -7.15586204
  O     12.00924446      7.18278356    -14.34505489
  H     16.98445126      8.74037353    -18.52877649
  H     15.26598061      8.14927203     -8.26216668
  O     18.96653990     11.15664494    -11.86849961
  H     16.46128066      8.03825987    -17.25087735
  H     13.61672243      9.58830367    -11.26213593
  O     17.89268430      7.48638701    -11.92092536
  H     14.27639890      4.19799645     -9.50429072
  H     12.21368315      9.19610095    -11.75741981
  O     16.20697451      8.33315680     -8.09071151
  H     15.26503070      5.34896167     -9.81306849
  H     14.81572858     13.93282267    -13.23262472
  O     12.90428827      8.94530608    -11.13204231
  H     17.07753791      9.71037860    -14.74331589
  H     15.80115577     12.79696986    -13.58818475
  O     14.87224465     12.99035711    -13.36410309
  H     17.63636761      9.62125974    -16.17295749
  H     15.02489422      9.62855047    -17.01225572
  O     14.18747691      9.71841150    -16.54124813
  H     14.85192679      6.66208018    -16.62548733
  H     13.69988458      8.89899700    -16.70492146
          69
 Energy    -251.86996773978643     
  O     -4.47368440     -1.03589604     -0.45677662
  H     -4.53296361     -1.92783111     -0.09284619
  H     -1.95816367     -2.26534685      1.61639290
  O     -2.02006242     -0.56466704      1.99580001
  H     -3.68296260     -1.01516267     -1.00848901
  H      1.36567068     -1.36731734      1.69793481
  O     -5.07756682     -3.08309654      3.26662560
  H     -1.39222974     -0.27270259      2.66924518
  H      1.07229161     -0.14690149      2.64311511
  O      2.36736871     -2.19621250      4.33885183
  H     -1.90783832      0.03037603      1.24461013
  H     -3.14123093     -3.02134648      5.95886879
  O     -4.53762703     -3.64752820      0.70806114
  H     -4.54845373     -3.39232281      4.01515057
  H     -2.50712624     -3.98524775      4.94151171
  O      0.82091350     -2.98388769      0.95107036
  H     -5.03106780     -2.11822686      3.29099135
  H     -4.00066578      0.23707962      4.77494376
  O     -2.52940434     -1.48622846      6.99585379
  H      1.60163214     -1.98593967      4.89005000
  H     -2.99170825      1.31576005      5.18613374
  O     -4.56653912     -0.33573048      3.13807041
  H      2.37633929     -1.53972031      3.63217870
  H     -1.22641630     -1.10990762     -1.82455434
  O     -1.43973819      1.23543913     -0.11138139
  H     -5.04754410     -4.39467929      0.40868705
  H     -2.17939281     -0.70612563     -2.97020944
  O      0.43251368     -1.49144318     -1.40485989
  H     -4.78477483     -3.49275458      1.63988390
  H      2.11523270      1.52777868     -0.42008465
  O     -0.16848097      0.42176898      3.78454141
  H      1.23990821     -3.61591520      1.54650701
  H      1.60054968      0.48574463      0.60010026
  O     -1.87106231     -3.21369871      1.42819358
  H     -0.13488530     -3.12244621      1.03765217
  H      2.41937979     -5.24403467      3.28274069
  O      1.72510704     -0.53518728      2.03968112
  H     -2.80325891     -1.39410781      7.90416318
  H      2.08985798     -3.76416547      3.59727213
  O     -3.34748828     -3.73716996      5.34698625
  H     -2.90469694     -0.72939001      6.51014810
  H     -6.25719194      1.37895813      0.52873434
  O     -3.48975748      0.56559760      5.52844265
  H     -3.68180437     -0.45059921      2.75972228
  H     -5.09960804      0.36463704      0.37658836
  O     -2.10382215     -0.73615663     -2.01959709
  H     -5.05088534      0.19490982      2.49547277
  H     -1.82529757      3.45549621      4.43076004
  O      1.37913522      0.95466414     -0.22278468
  H     -0.47459201      1.24585040     -0.14395966
  H     -2.39142392      2.59327560      3.28099478
  O      1.78393209     -4.55365314      3.11541284
  H     -1.73642630      0.68820384     -0.84979350
  H     -0.03140378     -4.36106698      3.70458792
  O     -5.41928286      1.12043886      0.90249720
  H      0.85869137     -0.66435440     -1.14944882
  H     -1.31739429     -3.77968003      3.07220270
  O     -1.95622773      2.55316894      4.15133044
  H      0.64016071     -2.11876734     -0.69998031
  H     -0.47275239     -2.52062154      4.91370918
  O     -0.89707793     -3.99414012      3.91749619
  H     -0.23140061     -0.24430681      4.48534629
  H     -0.92239044     -1.65844169      6.11509254
  O     -0.22360884     -1.75772152      5.45609063
  H     -0.70035719      1.19117902      4.02182062
  H     -2.48218690      2.31125446      0.99595671
  O     -3.09465934      2.62903701      1.67319778
  H     -2.73050072     -3.50688879      1.10673864
  H     -3.94301105      2.22524575      1.45425553
          69
 Energy    -251.85060044387086     
  O     12.88866169     11.83090399    -12.13997973
  H     12.88127393     11.70121629    -11.18011347
  H     13.39459105      7.87534084    -13.14488937
  O     15.18850874      7.67843194    -16.64944089
  H     13.60265817     12.45003166    -12.33648657
  H      9.86337643     12.53975958     -8.30124012
  O     11.77680627     10.12260798    -15.81559043
  H     14.25715606      7.45532174    -16.47193269
  H      9.86000258     11.60079614     -9.53106709
  O      9.03570895     10.99284571    -10.95756934
  H     15.40979554      7.28604703    -17.48951882
  H     15.76153506      6.98535115     -9.10653865
  O     15.20448775     13.35884474    -12.49533353
  H     11.50294692     10.64386062    -16.56713519
  H     15.72822720      8.04951080    -10.22872977
  O     16.81906799      7.47913530    -14.29195291
  H     12.73876395     10.23447183    -15.73842163
  H      9.15892778      8.48749731     -9.27859215
  O     16.50111253     11.78926406    -14.27217221
  H      9.49712388     10.90223925    -11.80067789
  H      7.87882011      7.75854758     -9.75821736
  O     16.39870777      9.43605093    -11.06107906
  H      8.72902045     10.10712887    -10.72492433
  H     15.58174328     12.47326803    -10.82789640
  O     10.35083522      9.00396612     -8.09642984
  H     15.40429800     14.27369534    -12.67343550
  H     14.79545676     11.75863280     -9.70615020
  O     14.54170962     10.15652170    -15.48761630
  H     15.70769105     12.83061954    -13.14080968
  H     12.62354898      7.09017214    -15.06330308
  O     14.21104936      9.46406047    -12.84053192
  H     16.36439069      6.90813045    -13.65521494
  H     12.13075478      8.17992205    -16.02803376
  O     12.88496463      7.05837685    -13.26438016
  H     16.30386368      7.45878994    -15.10510753
  H     12.15779612      8.32588229    -10.36859442
  O     10.33309698     11.81642222     -8.70738280
  H     15.87338214     11.33807661    -14.85112400
  H     13.52275950      8.02102855     -9.67081714
  O     15.24450558      7.29632267     -9.84594139
  H     17.10583189     11.10672728    -13.95518533
  H     10.82570188      8.88938790    -12.22874233
  O      8.60044837      8.30501628    -10.05591977
  H     17.08383241      9.52370104    -11.73463232
  H     10.04719454      8.01890833    -11.20571842
  O     15.68032097     11.87358327    -10.07817394
  H     16.23686042     10.30785560    -10.66817395
  H     15.34318889      6.31281691    -11.52765081
  O     12.57627804      7.32613545    -16.00208134
  H     10.33881493      9.96899190     -8.11899897
  H     14.44105610      6.16825803    -12.75683701
  O     12.70523229      8.52695663     -9.59680689
  H     11.21511903      8.74450867     -8.44407331
  H     11.45111710     11.04326446    -12.83119903
  O     10.87632267      8.08400294    -11.69354081
  H     14.86108182      9.39442464    -15.98781139
  H     10.96480961     10.31240990    -14.10067517
  O     15.34482842      6.02023324    -12.44563177
  H     14.49674819      9.87451513    -14.55937824
  H     19.01440446      9.50833560    -13.38642564
  O     10.75158064     10.46509136    -13.17303496
  H     13.72468347     10.25449354    -12.57373354
  H     17.65329166      8.83463612    -13.69222902
  O     18.07246098      9.62157322    -13.29471291
  H     14.98247660      9.40060767    -12.26458128
  H     12.12922602     11.57676839     -9.09825809
  O     12.98125883     11.28071330     -9.44218472
  H     12.08799465      7.17966737    -12.73317781
  H     12.95116664     10.31236703     -9.46131588
          69
 Energy    -251.84714619374893     
  O     20.25634102      8.25359880    -11.14620105
  H     19.41247401      8.48641019    -10.73715204
  H     17.98238792     12.33193964    -14.80536984
  O     17.46510049     11.29841380    -11.55101900
  H     20.11546431      7.40312948    -11.57976456
  H     12.51467829      7.18727819    -15.38721054
  O     12.83709524      7.47500847    -12.26549831
  H     18.06026061     11.27454724    -12.31337350
  H     12.96845209      7.66672722    -13.99012373
  O     17.00482186      6.57925361    -12.19100269
  H     17.56782101     10.46028471    -11.07770771
  H     16.06995712     10.66163612    -12.48792104
  O     14.74237751      5.94404877    -10.76266667
  H     12.86198235      8.30261434    -11.76654029
  H     14.81965916     10.93626350    -13.38357231
  O     19.65600352      5.98639555    -12.83020327
  H     13.40765349      6.86688707    -11.78038412
  H     13.52271544      9.51881844    -15.64885939
  O     13.60466788     12.25685947    -13.92769930
  H     17.88958648      6.27240674    -12.42383567
  H     13.57065020     11.03955162    -15.35330707
  O     17.92129754      9.10660164    -15.63313357
  H     16.61430521      6.98671496    -12.97871894
  H     14.95079215      7.48857886     -9.56934276
  O     17.56922710      8.74780057    -10.44946355
  H     15.57273721      6.08592612    -11.24743379
  H     14.51058533      8.95326256     -9.64781515
  O     16.25858412     10.85708805    -17.08441410
  H     14.76189994      5.04530151    -10.44336986
  H     20.98813432      9.29931031    -12.33401825
  O     20.24340337      7.75630146    -14.79300924
  H     19.86658399      6.56171899    -13.58784721
  H     22.21667016     10.07746955    -12.86561486
  O     17.31395533     12.82139654    -15.30205013
  H     20.16207801      5.18644830    -12.94287905
  H     16.20778547     13.81814957    -14.46380920
  O     13.13482474      7.76119450    -14.94570468
  H     14.19265314     13.01725716    -14.03608720
  H     15.55431415     15.21042238    -14.29340624
  O     15.34095419     10.24165038    -12.96316197
  H     13.19517861     12.35725356    -13.05918336
  H     15.65520996     13.79155983    -12.14395204
  O     13.81256341     10.36711402    -16.00411427
  H     17.45793067      9.67777574    -16.25777233
  H     16.29780464     12.72369717    -11.23269463
  O     15.14086511      8.36414864     -9.21175768
  H     17.22973322      8.59289139    -15.19098078
  H     12.46960925     13.25017694    -10.66478042
  O     21.33281586      9.80342400    -13.09354922
  H     16.81095247      8.70659043     -9.84907068
  H     13.91123947     12.90199150    -11.10798169
  O     15.52075258     14.31126317    -13.97920579
  H     17.41028716      8.04834524    -11.09711088
  H     18.58929229     10.34834073    -14.44547165
  O     15.58384372     13.37376152    -11.27638703
  H     15.37849968     10.65969319    -16.71732072
  H     19.84453773     10.74917127    -13.63125492
  O     12.97916615     12.62144012    -11.16817912
  H     16.13994982     10.98934763    -18.02139505
  H     14.16655269      9.88726752    -11.61273184
  O     18.96016246     11.04290512    -13.88249747
  H     19.48981961      8.17705141    -15.22832382
  H     13.14930049     10.76060395    -10.86599492
  O     13.47152050      9.85548675    -10.93789827
  H     20.72813817      8.46308543    -14.34887948
  H     15.69039883      8.75927654    -13.79423217
  O     15.84490470      7.92586076    -14.27108360
  H     16.96121109     12.20886931    -15.95898764
  H     14.98929161      7.68255247    -14.64129849
          69
 Energy    -251.84627629972738     
  O     16.08643596     11.25218684    -15.50588313
  H     16.64509984     11.28527035    -14.71739065
  H     18.94212806      8.88754638    -11.33356583
  O     16.38397902      7.07694521    -11.36515166
  H     15.24058844     11.63309672    -15.24388172
  H     13.93308441      8.26459425     -8.25545396
  O     12.05581009      7.56517239    -12.45334937
  H     15.55722237      6.72571623    -11.01032034
  H     12.57267586      8.01570816     -8.93222743
  O     13.57050631     10.66517648    -10.21518551
  H     16.47300104      6.69256475    -12.24792548
  H     15.15526380     12.98208688    -11.59743233
  O     19.55333407      9.23440203    -13.12990199
  H     12.03392422      6.82196203    -13.07309280
  H     13.89968347     12.16289448    -11.25677853
  O     12.55851694      5.58210838    -14.28699824
  H     12.44153526      8.30617112    -12.94302433
  H     14.86073603      9.93903578    -11.35199403
  O     16.22212731      5.89601619    -13.88628105
  H     13.98296251     10.50139545     -9.35637832
  H     15.76714516      8.72499438    -11.75960436
  O     13.40762811      9.48102648    -13.89864785
  H     12.75614876     10.14817116    -10.23486359
  H     16.31460721      9.74879104    -16.33931325
  O     17.07010225     10.72749841     -9.19088647
  H     20.48093722      9.21681778    -13.34873882
  H     16.66675519      9.03873581    -17.66812571
  O     14.41127672      4.12077824    -12.61096002
  H     19.10873318      8.62662642    -13.74815839
  H     17.69282778      8.07027019    -15.54343208
  O     14.89540633      9.88527997     -7.88308719
  H     13.12222094      4.94221249    -13.83621967
  H     17.66524197      6.91157923    -14.52871460
  O     18.47855878      8.73939657    -10.50173815
  H     13.14480248      6.09774561    -14.85670072
  H     10.41662990      9.01035076    -10.07342879
  O     13.32898739      7.56569487     -8.53514153
  H     15.72645202      5.14824673    -13.53204891
  H     11.49493370      8.38786278    -10.98894143
  O     14.24640029     12.81926483    -11.87640385
  H     15.59364656      6.41444215    -14.41099673
  H     13.26419147      6.61669520    -11.37643647
  O     15.40260877      9.56743284    -12.06007533
  H     14.16656132      9.48723879    -13.29288812
  H     13.70047193      6.47342596     -9.89783793
  O     16.46404789      8.87819006    -16.75043139
  H     13.30061480     10.39231644    -14.19159234
  H     17.26065827     12.34264845    -11.84644899
  O     18.20836564      7.64307117    -14.84842929
  H     17.62273027     10.05740968     -9.62090047
  H     17.62296153     13.64281439    -11.09153772
  O     11.35873180      8.90172391    -10.17468567
  H     17.06440340     11.49958658     -9.76500147
  H     14.03478557      8.13982936    -14.95508153
  O     13.83440996      6.10763203    -10.78452706
  H     14.20788479      4.72062394    -11.87325531
  H     15.09475386      7.82282263    -16.02431057
  O     17.00184029     12.91888077    -11.10650483
  H     14.40907805      3.23644953    -12.25368487
  H     13.83285449     12.48372018    -13.53602690
  O     14.45378310      7.40938849    -15.43259402
  H     14.93425131     10.20099984     -6.98433677
  H     13.04681418     12.92026717    -14.79355593
  O     13.60399314     12.22832054    -14.44800613
  H     15.73203074     10.15356769     -8.30681199
  H     16.74840458     10.53750617    -12.71644836
  O     17.46594036     11.08692831    -13.07187866
  H     17.83071264      8.04640054    -10.68818235
  H     18.25537802     10.53254792    -13.10535031
          69
 Energy    -251.83432629339603     
  O     12.68642885     11.36907143    -15.95768008
  H     11.98377614     10.96791891    -15.42134279
  H     18.13403297      9.22097554    -12.74210576
  O     15.32828582      7.76092775    -13.18512487
  H     12.95930470     12.18623822    -15.52407528
  H     15.76588801     10.60264035    -17.21983934
  O     16.29373581     11.43474690    -10.89826790
  H     15.13126026      8.56229673    -13.69523870
  H     17.11414640     10.12917323    -16.57473897
  O     16.51454271     13.08753119    -14.93646707
  H     15.95558700      8.02058043    -12.49922144
  H     13.96799217     10.31281999    -14.97446075
  O     13.53006875      7.71797107    -16.67170809
  H     15.45161368     11.57561038    -11.35557313
  H     15.49934183     10.35311988    -15.11248869
  O     12.39129963      9.81313101     -8.84634472
  H     16.96859825     11.85319777    -11.44684621
  H     11.17627978     10.11935242    -13.34693784
  O     12.75325710      7.37635442    -12.36943065
  H     16.55606383     12.41056540    -15.62657057
  H     11.06962658      9.11782656    -14.51709289
  O     13.99154551     11.64405440    -12.40618800
  H     15.58480864     13.31755286    -14.83269474
  H     16.23384634      6.92591247     -8.34140982
  O     16.02044083      6.91488365    -15.76636106
  H     13.70258298      8.49372055    -17.21326606
  H     15.03552693      7.36545869     -9.21544171
  O     13.34356427      7.20334068     -9.62026046
  H     14.39833736      7.37157551    -16.41607981
  H     10.92745809      6.68002486    -15.28366805
  O     18.22463639      8.76005729    -16.05078899
  H     11.94001690     10.08195247     -8.05085909
  H     12.24068365      7.44872724    -15.55386582
  O     18.49567068      9.66801735    -13.51769867
  H     13.32657681     10.06245394     -8.73702273
  H     17.53234663     12.70474241    -13.58270063
  O     16.47777448     10.85579043    -16.61807752
  H     12.26023590      7.23225215    -13.18558474
  H     18.80038688     13.06006853    -12.77230931
  O     14.78792690     10.10914533    -14.50805026
  H     13.68726237      7.42903290    -12.62588888
  H     16.79007965      9.67373302    -11.11474614
  O     11.00415785     10.05588861    -14.29434701
  H     13.24415843     11.13538116    -12.06369592
  H     16.80949010      8.26986372    -10.46387300
  O     15.95128063      7.58677540     -8.96759117
  H     14.38862083     11.09842630    -13.10426131
  H     15.45538615      9.41709906     -8.61549500
  O     11.51827219      7.32885841    -14.91072997
  H     15.84526440      7.00684188    -14.81955489
  H     15.53648082     10.80370153     -9.28658210
  O     18.09218892     12.42453025    -12.83682016
  H     16.79519844      7.46234512    -15.93609850
  H     11.97412838      9.97090376    -10.64715192
  O     17.06534249      8.75656166    -11.25718248
  H     13.07624609      7.10668232    -10.54388956
  H     12.24988529      9.05651930    -11.86567144
  O     15.05701011     10.29653056     -8.61913935
  H     12.89746129      7.99494157     -9.29560079
  H     13.75005349     12.96505680    -13.58929870
  O     11.96705100      9.94811516    -11.61204471
  H     19.07488338      8.47483384    -16.37466031
  H     13.30197100     14.34648167    -14.12162021
  O     13.70229200     13.52164673    -14.38552013
  H     18.35880910      9.05052831    -15.12999447
  H     13.74067759     10.45235951    -18.87138383
  O     14.07958911     10.24124141    -18.00510212
  H     18.44176038     10.61147949    -13.32466884
  H     13.50951615     10.69812124    -17.36120785
          69
 Energy    -251.82912715509704     
  O     -2.88133234      5.15102427      3.73604763
  H     -2.36054796      4.74732106      3.02117480
  H     -2.05687252     -2.76968463      1.01922546
  O      1.50404512      0.27338340      0.88633995
  H     -2.57146889      6.04916710      3.82407479
  H     -0.56209550      0.78449667     -1.37443220
  O     -1.99715792     -0.32594017      3.38384027
  H      2.41502308      0.09570448      0.66824399
  H     -0.17082120      2.25772576     -1.13936041
  O     -5.32916194      1.87153546      0.34689478
  H      1.10685213      0.70104954      0.10537899
  H     -5.40421868      3.33511711      4.25401911
  O     -4.18741223     -2.27730987     -1.20144518
  H     -1.44556920      0.05074413      4.07855402
  H     -4.75237845      4.59583401      3.67660439
  O     -0.78935623     -1.35693209      1.13899868
  H     -2.43205595      0.41886647      2.93758112
  H     -1.14175774      4.55588967     -1.61835036
  O     -6.21257462     -0.66514284      4.74577685
  H     -6.04732808      2.32768859      0.80161425
  H     -2.00185979      3.34293531     -1.18162028
  O     -7.55057673      0.24062555      2.57960753
  H     -5.49034224      0.91898776      0.41693197
  H     -8.02860163      3.62789888      1.77426655
  O     -2.34666107      2.99682870      5.59143623
  H     -3.73083226     -2.73025167     -0.46836346
  H     -6.71987879      3.49363777      2.58802617
  O     -2.12193817     -0.30706723     -1.11087814
  H     -4.40426495     -2.94420471     -1.84714559
  H     -1.35941997      3.90442401      0.87157994
  O     -5.65236642     -0.84296306      0.75308279
  H     -1.16936441     -1.01775556      1.96302406
  H     -0.69279856      3.30383255      2.15147833
  O     -2.89729686     -3.24579855      0.97494862
  H      0.07952501     -0.94628302      1.05976416
  H     -4.07228497      2.22638330     -0.91798521
  O      0.19084309      1.36618318     -1.20687279
  H     -6.77698044     -0.34532350      4.01823817
  H     -2.89641893      1.34575903     -1.37408783
  O     -5.59752187      4.13864181      3.74982419
  H     -6.79419433     -1.01741403      5.41388371
  H     -4.93862295     -1.57746107      3.69254259
  O     -1.21033377      3.86974759     -0.96035009
  H     -7.08218514     -0.17848663      1.84567833
  H     -3.47429755     -1.35162612      3.24593787
  O     -7.30234005      3.03719796      1.95499602
  H     -7.54773335      1.18914580      2.40194345
  H      0.92145019      1.54565630      2.18149402
  O     -1.46298913      3.79640595      1.82458676
  H     -2.45543483      3.79951611      5.06920607
  H      0.34096027      1.82863534      3.59211872
  O     -3.26706525      2.23560722     -1.45171155
  H     -3.17948021      2.51369899      5.49243882
  H     -1.07484006      1.83984073      5.38083050
  O     -4.29136175     -1.82027160      3.01987118
  H     -1.69569092     -0.63533917     -0.30647316
  H      0.03154179      0.95765828      6.00691943
  O      0.55607520      2.23773635      2.74522218
  H     -2.81893695     -0.94090539     -1.31480606
  H     -5.16569797      0.89762267      4.83650246
  O     -0.42344764      1.14049930      5.18961668
  H     -5.29831561     -1.31718693     -0.00845749
  H     -4.23784291      1.70399020      3.87842190
  O     -4.66707217      1.71659542      4.74822033
  H     -5.15622240     -1.15976689      1.52172238
  H     -2.68614749      2.47194650      2.10610547
  O     -3.32787895      1.77193536      2.28241231
  H     -3.40396348     -2.96192878      1.74693572
  H     -3.99064169      1.80880983      1.58232640
          69
 Energy    -251.82618194703787     
  O     11.75561758      9.86157835    -13.78791998
  H     12.22840787     10.67283469    -13.57002812
  H     14.91153877      5.89860635    -16.14525867
  O     16.36611974      6.19356622    -13.37861308
  H     12.23287853      9.47097579    -14.53267198
  H     19.43008051      7.79588704    -12.30804296
  O     17.01712765      9.43143341    -10.38606565
  H     17.08944209      6.42091296    -12.77999672
  H     19.74682912      8.43843339    -13.69054663
  O     17.57500245     10.64422629    -14.14045525
  H     15.63943199      5.91082116    -12.80633756
  H     15.17647918     11.48840764    -15.97151286
  O     12.99642198      5.92050682    -15.94543956
  H     16.20349344      9.75784505    -10.79719947
  H     16.16430218     11.65056433    -14.80489436
  O     15.55955078      7.69371111     -8.67884758
  H     17.73175250      9.99616889    -10.70405922
  H     15.82885984      7.87000025    -13.75311616
  O     14.46743204      5.59842088    -11.42586581
  H     18.20653474     10.14707080    -14.67773630
  H     16.22958965      9.35888899    -14.03885454
  O     14.65019091     10.10366243    -11.66106134
  H     18.01207423     10.82345412    -13.29958974
  H     11.27374879      8.62027781    -12.67846336
  O     17.10793106      8.34297646    -16.95978823
  H     12.77001250      5.78288210    -15.00784544
  H     10.11904472      7.94478736    -11.90090915
  O     16.57534258      5.32563619     -9.52170792
  H     12.44195418      5.33190482    -16.45015552
  H     17.67443656      7.81500422    -11.01318056
  O     19.28184982      8.89268532    -15.50592081
  H     16.12218868      8.36901195     -9.08124461
  H     17.72712617      6.30451833    -10.70320214
  O     15.86787618      6.01710186    -16.13658135
  H     14.69132278      7.79809539     -9.08995908
  H     13.07403625      5.46976642    -12.67973875
  O     19.96901109      8.46477482    -12.75141151
  H     15.12937003      5.31288579    -10.78533637
  H     11.86353816      6.39111958    -12.92936287
  O     15.31897680     11.97044374    -15.14823923
  H     14.10224571      6.42842785    -11.08452825
  H     19.50109446      9.98808035    -12.05929243
  O     15.48614771      8.76545091    -13.87067709
  H     14.89275811      9.57640142    -12.43979294
  H     19.77322052     11.39181865    -11.46021596
  O     11.05425235      7.88605658    -12.07668987
  H     14.21795589     10.89232201    -12.00626527
  H     14.14972514      8.68447807    -15.04955671
  O     18.05276190      6.97581312    -11.31479146
  H     16.66294479      7.50850091    -16.74661470
  H     13.22127488      7.74142007    -15.87005277
  O     12.38956702      5.68566982    -13.32559951
  H     16.42140643      8.98584648    -17.16200793
  H     13.76243617      8.77274892    -10.82555383
  O     19.07526140     10.80151000    -11.73003287
  H     16.22453372      6.13674435     -9.10964648
  H     12.47880062      7.92171642    -10.86241325
  O     13.42490382      8.66866490    -15.69567355
  H     16.77682419      4.72004678     -8.81374954
  H     14.08916846     12.09788098    -13.91776769
  O     13.34985595      7.98057136    -10.45114587
  H     20.01749694      9.01228553    -16.10094203
  H     13.17651266     13.02728463    -13.08564019
  O     13.43216252     12.11591163    -13.19860761
  H     18.52241325      8.63086163    -16.05883002
  H     14.29533961      9.66577179    -16.86536322
  O     14.91653794     10.21622219    -17.37299993
  H     16.13149975      5.93205857    -15.21012190
  H     14.51730515     10.36575916    -18.22643256
          69
 Energy    -251.81957088212658     
  O     -6.95583936      2.34402479     -0.49406771
  H     -6.24228699      3.00395891     -0.55202000
  H     -5.63808290     -2.25792431     -0.52164137
  O     -2.96367229      4.31673521     -2.83677029
  H     -7.76812911      2.82986662     -0.37894992
  H     -4.26932766     -2.75269325      1.37795110
  O     -5.54057406      0.46391702      1.09814074
  H     -2.14818687      4.24582114     -2.31219228
  H     -3.52921196     -3.72536829      2.32978732
  O     -1.94968250     -1.82936282     -0.23346865
  H     -2.83734258      5.04088505     -3.44471754
  H     -1.77607388      2.10842182      1.98992699
  O      0.05070433      1.26278711     -1.84310810
  H     -4.76828745      0.49570271      0.51122155
  H     -2.03136416      0.83081254      2.82026593
  O     -3.60932172      1.59038082     -3.17220557
  H     -6.16520012      1.09376686      0.72283259
  H     -1.94093730      3.38365379      0.06630794
  O     -2.80881203     -2.01066399     -2.83844671
  H     -1.17212310     -1.36126267      0.10087741
  H     -2.85061416      2.14878784      0.27368977
  O     -1.41391480      0.00376784     -3.92031403
  H     -2.38182543     -2.26068590      0.51484155
  H      3.28712224      0.11556171      1.98888524
  O     -0.75215270      3.84112989     -1.28234427
  H     -0.04443547      0.74764772     -1.02914468
  H      2.20951701      1.22749120      1.92423996
  O      0.00624690     -0.10076505      0.60614871
  H     -0.39213666      0.78522119     -2.55370740
  H      1.20843291      3.24410563      1.93571993
  O      2.55916493      2.18935043     -0.88151420
  H     -3.39410248      2.53078359     -3.14108791
  H      0.34735813      2.21175658      2.71227638
  O     -5.62918865     -2.25646403      0.44275287
  H     -2.86033533      1.12646599     -3.56730762
  H     -5.35227190      1.00624028     -2.94160075
  O     -3.44063245     -2.89377633      1.87301784
  H     -3.76808950     -2.06371289     -2.75301337
  H     -6.51217803      1.16808175     -1.93199070
  O     -1.33253441      1.42900517      2.51735412
  H     -2.45415788     -2.10190384     -1.94175241
  H     -4.26787480      0.09476703      2.52647800
  O     -2.60553106      3.00719386      0.65691661
  H     -1.90004176     -0.76965425     -3.57740617
  H     -3.41329558     -1.16176462      2.73884340
  O      2.63153516      0.50746286      1.41915947
  H     -1.05160003     -0.25072091     -4.76452606
  H     -6.24923990     -2.53003731     -2.93636213
  O      1.25236881      2.52836643      2.57986155
  H     -0.02984677      4.19292621     -0.74759547
  H     -5.87001238     -1.10082842     -2.48779647
  O     -6.17418562      0.60001036     -2.63420620
  H     -0.49487208      2.94095559     -1.53624584
  H     -3.45046080      0.87082772     -1.45910670
  O     -3.47899883     -0.23010725      2.97871039
  H      0.93580545     -0.06644203      0.86031248
  H     -2.88183903     -0.22592467     -0.49161640
  O     -5.62621925     -2.04019689     -2.40535831
  H     -0.48390556      0.40841439      1.26865603
  H     -4.37124023      4.26645211     -1.45336643
  O     -3.31937144      0.63268976     -0.53317639
  H      2.73882113      1.55520527     -0.17524723
  H     -4.17719214      3.79832524     -0.01233192
  O     -4.85663320      4.06648576     -0.64607548
  H      1.81367554      1.82806894     -1.37928367
  H      1.94842356      3.65180654     -0.12097211
  O      1.47388581      4.37600791      0.32663925
  H     -5.76895939     -1.33739750      0.71108681
  H      2.08828798      5.10139336      0.40502896
          69
 Energy    -251.80726114416689     
  O     15.79895737     10.35680597    -14.54120783
  H     15.48318569     11.26927600    -14.58474942
  H     17.85180397     11.86476737     -9.51723370
  O     17.16462864     14.35934300    -15.89296163
  H     16.55143260     10.31565936    -15.14332553
  H     21.32777015     17.12475435    -12.63045882
  O     20.45444515      9.01577396    -14.82545961
  H     17.70690534     13.87378928    -16.52489843
  H     21.21927935     18.43733782    -13.44348115
  O     20.17718603     14.11591958    -10.45483752
  H     17.76985878     14.96299903    -15.44397437
  H     21.90965526     12.12818629    -12.45058325
  O     15.63934876     13.49802366    -11.87897111
  H     20.15427083      8.87140682    -13.90799853
  H     22.85044802     13.09486642    -11.68468687
  O     20.88009673     10.34875176    -10.23742787
  H     20.85185905      8.20005150    -15.11586702
  H     16.64883953     10.36883466    -11.40533742
  O     16.06139191     11.52576296    -10.09693913
  H     20.85538951     13.56152494    -10.86260196
  H     16.51671072      9.99249222    -12.92342293
  O     18.38225453     10.72348722    -15.75060278
  H     19.63898958     13.51992886     -9.91236288
  H     18.91194397     12.53253589    -18.37434745
  O     20.99075427     13.78395442    -15.71305809
  H     15.35904874     13.34944229    -12.78945936
  H     18.75961626     11.97874929    -16.93661121
  O     21.77903609     16.29481804    -11.16540598
  H     16.45592338     14.01472934    -11.93987419
  H     22.36212888     14.89251002    -15.05446353
  O     21.17378612     11.61560645    -13.98558470
  H     21.41665235      9.99258891     -9.53215004
  H     22.39067942     16.23550952    -14.29637619
  O     18.75769040     12.09794806     -9.28297802
  H     21.40121725     11.05869114    -10.64572571
  H     19.87641436     15.02919043    -14.92719267
  O     21.15090924     17.48948121    -13.51660653
  H     15.85366965     12.25864475    -10.70565370
  H     19.82686249     16.41764886    -14.24556317
  O     22.16715172     12.42382840    -11.56421923
  H     15.34122637     11.47103066     -9.47494112
  H     23.59561768     14.84645720    -13.02112085
  O     17.09392571      9.93988985    -12.14634895
  H     19.04073310     10.04075281    -15.57070012
  H     24.82155631     14.70939689    -12.08740926
  O     18.98713696     12.77073363    -17.45397406
  H     18.34713587     11.27036983    -14.94919376
  H     20.07997444      9.26660856    -11.57482717
  O     22.92424693     15.46030222    -14.51177869
  H     20.41230112     13.48958164    -16.42666271
  H     18.68278440      9.06260345    -12.19598519
  O     19.27458262     15.68803010    -14.55258407
  H     21.13377256     13.01566023    -15.14171511
  H     18.09150334     11.35213372    -12.80269404
  O     23.87989487     14.56682020    -12.13203264
  H     22.57410385     15.78158034    -11.35314677
  H     18.34794016     12.88721485    -12.96051731
  O     19.61209143      8.80370905    -12.27973474
  H     21.15144285     15.66830145    -10.77996158
  H     14.28313989     13.44928762    -15.04887208
  O     18.58193217     12.01699704    -13.30289230
  H     21.15779342     10.71965832    -14.34019703
  H     15.82109055     13.56970963    -15.08805935
  O     15.08217015     13.11044152    -14.65231695
  H     20.27023822     11.78622217    -13.66796206
  H     18.51312329     15.04883253    -13.03703743
  O     18.14954752     14.57378625    -12.27868623
  H     19.32337965     11.37667277     -9.58258750
  H     18.84835677     14.50096715    -11.61399714
          69
 Energy    -251.79403792615514     
  O     12.97306456      9.19532458     -9.81856799
  H     12.27192396      9.24733909     -9.17508612
  H     16.34087236     11.12071256    -15.28019414
  O     16.07019005      4.73846952    -13.09545611
  H     13.36762201      8.30695422     -9.73810812
  H     14.92183888      8.64076252    -12.48591394
  O     14.92303588     12.21926328    -12.38978639
  H     16.90411379      5.13654560    -12.82333894
  H     16.09676830      7.97889352    -11.70558008
  O     17.31374632     12.16353904    -14.03663460
  H     15.87775349      5.04554745    -13.99053514
  H     13.95955887      6.06150901    -10.37427702
  O     11.61946112      7.32129450    -16.12201122
  H     14.25225831     11.91788779    -13.01492171
  H     15.13081754      6.86167798     -9.76650893
  O     16.88059431      7.24437847    -10.17938726
  H     15.71739927     12.35608149    -12.91805066
  H     18.79509916      6.62496650    -12.63086556
  O     12.82805210      6.40791799    -13.75507583
  H     17.67581887     11.52022629    -13.40360944
  H     19.25046927      5.31186467    -11.95378332
  O     13.34814909     10.93011702    -14.38099413
  H     17.98658128     12.82562786    -14.17310732
  H     13.51917449      3.81443950    -11.48950176
  O     14.02980318      9.50904900    -17.72213591
  H     11.89627537      6.93276824    -15.28135384
  H     14.61905035      4.68255274    -12.14464408
  O     16.71229176      7.97483742    -15.03247722
  H     12.26781787      7.02849734    -16.77397985
  H     17.20673647      9.69947993    -12.39384602
  O     14.97614498      5.87356931    -15.48654201
  H     17.28418910      8.06883153     -9.87737757
  H     18.14566510     10.22718999    -11.30502144
  O     15.77180621     10.48021684    -15.72277355
  H     17.52947967      6.75558670    -10.70246653
  H     18.44744280      7.94517929    -14.33659933
  O     15.87369553      8.48528569    -12.49555524
  H     12.89048293      7.28289787    -13.34230739
  H     18.97973601      8.81043505    -13.18438702
  O     14.16743657      6.77676053     -9.76132591
  H     12.99056571      5.76684036    -13.05365515
  H     16.82918070     10.25470412     -9.61967397
  O     18.50790584      5.90371756    -12.04432360
  H     14.18360275     10.76419870    -14.84226627
  H     18.06094702     10.23155873     -8.68015363
  O     13.75828521      4.71592136    -11.68867102
  H     12.64639692     10.73784107    -15.01552624
  H     13.97618397      7.76411476    -17.87485916
  O     18.02385865     10.20699827    -12.26109640
  H     13.17903537      9.79770434    -17.36952891
  H     13.85280275      6.52941278    -18.79751437
  O     19.14412213      7.98991689    -13.66590238
  H     14.70044989      9.92339009    -17.16387209
  H     14.48012892     10.35877065     -9.84909979
  O     17.71630320      9.86598684     -9.48966246
  H     16.42864570      8.11818811    -14.11434025
  H     15.15235474     11.39330180    -10.78396640
  O     13.83918782      6.79972891    -17.88339529
  H     16.18851607      7.22607741    -15.34243967
  H     10.71163106     10.30866431    -16.67922508
  O     15.28145661     10.87891282     -9.97354304
  H     14.23910215      6.07331753    -14.89001613
  H     11.50545300      9.06221887    -16.22122846
  O     11.55776435     10.02751870    -16.34199590
  H     14.65151401      6.05436888    -16.37757173
  H     13.11899434      9.65153727    -13.14304637
  O     13.12574109      8.86281204    -12.58340690
  H     16.14838467      9.60385993    -15.55236189
  H     12.93944599      9.10946880    -11.66922900
          69
 Energy    -251.79174934637462     
  O     17.33028385     13.03373723    -14.86945340
  H     17.51447660     13.91129463    -15.19395583
  H     15.31548087      5.92104431    -17.37472971
  O     15.43079175      7.00771390    -13.82446010
  H     16.37310252     12.99839581    -14.69183325
  H     16.32897325      9.75227299    -17.09159410
  O     18.46516018     11.81885975    -12.55232199
  H     14.94379322      6.86385265    -13.00493776
  H     16.03610501      8.83447015    -18.29602111
  O     19.23480139      7.34455214    -17.64939113
  H     15.58701976      7.96513311    -13.87724947
  H     14.98650680     10.04725636    -14.54871300
  O     16.29295120      8.32015312    -10.50546431
  H     17.66693652     11.56319273    -12.06976713
  H     16.51171746      9.92817416    -14.70200099
  O     12.07807020      8.46181743    -15.34445855
  H     18.15596358     12.32082286    -13.31507993
  H     12.41673605      8.98312832    -13.52072143
  O     13.41066929     11.87615079    -12.03888194
  H     19.46221051      7.89498769    -16.89004678
  H     13.11696432      8.58196143    -12.20182920
  O     18.29927722      4.86869888    -16.54091888
  H     19.07112381      6.46133109    -17.29473080
  H     18.58819906      7.11083676    -12.50305594
  O     14.06211099      7.14762699    -11.39582938
  H     16.22496685      9.26027947    -10.71522893
  H     19.27983881      8.37615598    -11.97045005
  O     17.13133622      7.73217824    -19.32505445
  H     17.15162241      8.03159946    -10.84741616
  H     14.31255050     10.28986076    -16.64870107
  O     14.29776874      7.14759499    -16.31855353
  H     11.25452657      8.14300175    -15.70517191
  H     13.04780903     10.03485191    -15.78744679
  O     16.02563593      5.51622588    -17.88802168
  H     12.78123870      7.90381608    -15.71689298
  H     19.88230672      9.11621025    -14.39561034
  O     15.61212609      9.30691169    -17.56958487
  H     12.72381282     12.26734725    -11.50580482
  H     18.97079230      7.94860041    -14.84073326
  O     15.77652879      9.69435186    -14.12146615
  H     13.11391479     10.97447455    -12.25740435
  H     18.21006314      5.82040196    -14.94327416
  O     12.69391557      9.31863994    -12.66092559
  H     17.45468850      5.01700176    -17.00225821
  H     17.16231384      6.56801846    -14.07555899
  O     18.70401330      7.64833458    -11.70974213
  H     18.54868192      3.96327838    -16.70475595
  H     21.10276542     10.11483628    -12.32971889
  O     13.76553780     10.66031809    -15.94189387
  H     14.86415138      7.55000349    -11.01050577
  H     19.66263636     10.57799061    -12.65376222
  O     19.45544834      8.72202393    -15.16684879
  H     13.72289178      6.53687159    -10.74805802
  H     18.33963332      9.98372051    -15.78201283
  O     18.11182176      6.46643741    -14.23371519
  H     17.92540822      7.65983485    -18.76444905
  H     17.64668912     11.40549711    -15.72681134
  O     20.29169894      9.84018576    -12.74863694
  H     17.43613652      7.81900989    -20.22407144
  H     15.17162314     11.34151354    -11.54957356
  O     17.57865434     10.50677058    -16.07246218
  H     14.77378721      7.88619228    -16.72624376
  H     15.98290864     10.42393533    -12.47209301
  O     16.01511405     10.88058638    -11.61637168
  H     14.70106124      6.98770515    -15.45119509
  H     14.25646564     12.22365733    -15.07668743
  O     14.64715354     12.84359028    -14.44520963
  H     16.32381215      6.19648865    -18.50545035
  H     14.23504527     12.63892956    -13.59740872
          69
 Energy    -251.79126371044646     
  O     16.81215019     10.36767997    -17.00683491
  H     16.77420313      9.73812005    -17.73569392
  H     21.61994329      9.72250819    -16.27946171
  O     16.60853650      5.36641372    -12.64219920
  H     15.91962642     10.71078283    -16.84910036
  H     16.97587640      9.17234509    -15.63034856
  O     17.24382105     13.18722584    -10.87401265
  H     16.48595406      5.49383338    -13.59758959
  H     16.17242779      8.70303984    -14.38748954
  O     19.50559159      8.22697841    -13.84180725
  H     16.16050148      4.55405886    -12.41666994
  H     13.78931726     10.35744452    -16.16828560
  O     14.79111133      7.01106321    -17.27478994
  H     17.61422216     12.54471643    -10.25526250
  H     14.44918454     11.49167099    -15.35179946
  O     15.46452368     10.07060456     -9.69337145
  H     16.28753190     13.06510893    -10.82899879
  H     16.23419997      6.99789694    -11.73951225
  O     14.57124996      8.95953140    -13.53476826
  H     18.61139395      8.33467561    -14.20472380
  H     15.41233558      8.24178529    -12.14684062
  O     17.77346777     11.74693088    -13.17323703
  H     20.10328241      8.59829302    -14.50111209
  H     13.66294600      8.01626018    -16.41379890
  O     19.40897155      5.48895483    -13.41762385
  H     15.44841152      7.40186536    -17.86416230
  H     12.18683279      8.34371495    -16.08914830
  O     19.14092586      5.01179617    -16.07756196
  H     15.28712959      6.44323726    -16.67146835
  H     18.37168657     10.37799376    -10.16215759
  O     16.54422356      5.86756407    -15.37536158
  H     16.35300474     10.33312700     -9.41977498
  H     18.88661023     10.76363554     -8.75599055
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  H     15.56791089      9.23913109    -10.17207974
  H     18.93682682      8.99810788    -12.31259476
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  O     14.30740181     11.16706624    -16.25140931
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  H     13.74314106     12.66669686    -10.36242744
  O     16.02410492      7.90098629    -11.47554976
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  H     14.75234524     11.49640323    -10.43369741
  O     13.08412901      8.58003564    -15.87038383
  H     17.68933686     12.40721133    -12.46970658
  H     19.25885494      6.64967562    -17.03851262
  O     18.17589110     10.91378585     -9.37370708
  H     19.55427950      6.44535887    -13.47661600
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  O     18.37028278      9.41325580    -11.64914122
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  H     15.97203461     11.72451294    -13.53163257
  O     14.47493418     12.32287491    -10.86761962
  H     19.32977522      5.12221088    -15.12862237
  H     14.70763190     11.98915112    -12.67940318
  O     19.18870976      7.48590084    -17.51391514
  H     19.55652721      4.19796863    -16.34931115
  H     18.65549518     11.62868993    -14.82502729
  O     15.00536266     11.67260675    -13.54172256
  H     17.35448378      5.47377989    -15.72242206
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  O     19.01922158     11.40018459    -15.68988476
  H     16.72053341      6.81806197    -15.28063733
  H     17.73870954      7.91243416    -18.36429073
  O     16.90390654      8.18692565    -18.78591468
  H     20.17617243     10.16294685    -15.93524240
  H     17.05381618      8.17319355    -19.72746218
          69
 Energy    -251.78636174087333     
  O      1.29194717      1.46160783      4.09033166
  H      0.97980453      2.37394074      4.10111925
  H     -4.20116920      2.59995498      0.82055857
  O      0.25189170      0.33780737     -3.33987186
  H      0.61491278      0.95473941      4.55620455
  H     -1.62129080     -0.51268211      5.37899578
  O     -1.65314712      0.58861749     -1.20687072
  H     -0.52889799      0.46567294     -2.78640619
  H     -1.39896281      0.38099884      4.15147429
  O      1.32575198     -2.08021523     -2.23567835
  H      0.58162248     -0.54395904     -3.12310909
  H     -0.61011326      2.93079715      1.07756450
  O      2.92480847     -0.39491981     -0.82947964
  H     -1.50562747     -0.34617753     -1.00237348
  H     -0.80778662      3.56947665      2.49003354
  O     -4.63676084      2.65173834      4.20935178
  H     -0.96093681      1.08803372     -0.75214766
  H     -3.31857050      1.10352077     -0.89018870
  O     -1.84951064     -3.42766381      3.38190511
  H      1.84397527     -2.77250186     -2.63690694
  H     -4.72604930      1.41863418     -1.44496426
  O     -0.04650169      4.01492457      4.10412135
  H      1.93963496     -1.54033074     -1.70547023
  H     -2.71375877      0.26647759      2.13693630
  O      2.13540392      1.98150583     -2.25722858
  H      2.71058230     -0.21116100      0.09526002
  H     -1.68826158      1.45124753      2.17861201
  O     -4.70306984     -0.19524411      4.24930654
  H      2.84613774      0.44695701     -1.29434902
  H     -0.21805176     -2.18693392     -1.20444244
  O     -2.99082988     -1.90561565      5.41735252
  H     -5.38104066      3.19797656      4.44971677
  H     -0.61341347     -1.93921763      0.27667975
  O     -4.03108067      3.13477340      1.60336779
  H     -4.46188032      2.82292618      3.26700269
  H      1.26302678     -0.54158869      1.79907604
  O     -1.12254192      0.25079457      5.07314237
  H     -1.69511515     -4.30657598      3.72077459
  H      1.79969457      0.70067697      2.53880580
  O     -1.27333128      3.20879263      1.72454402
  H     -2.25975931     -2.92164790      4.10100343
  H     -2.96918508      2.83482510      5.06988429
  O     -4.22932374      1.33042334     -0.63555982
  H      0.24026816      4.83235368      4.50135071
  H     -1.77927765      1.94532955      5.49354522
  O     -1.82729892      0.52716340      2.41731746
  H     -0.78545922      3.68069146      4.64559052
  H      1.06222289      2.14102591     -0.74106741
  O     -0.97134019     -2.04696645     -0.61794201
  H      2.53539226      2.58299481     -2.87877488
  H      0.94635838      1.38661321      0.61166621
  O      1.83930674      0.22834497      1.69397686
  H      1.48709653      1.44964555     -2.75289513
  H     -0.73743808     -0.82721412      2.11102655
  O     -2.08182017      2.86269068      5.44802207
  H     -4.72095420     -0.35359792      3.29432435
  H     -0.59577494     -2.30994721      2.52295754
  O      0.47629311      1.98013896      0.00786941
  H     -4.70882553      0.76401902      4.34859366
  H     -2.81090456     -3.18155198      1.67906487
  O     -0.18872202     -1.61964307      1.98785929
  H     -3.63697611     -1.29333917      5.01760026
  H     -2.52289059     -2.73702701      0.22846504
  O     -3.23594161     -2.89886788      0.86076442
  H     -3.35670550     -2.17734756      6.25484811
  H     -4.43148564      0.08448342      0.75176112
  O     -4.30456602     -0.46776195      1.53123131
  H     -3.07934374      3.31452502      1.59585654
  H     -4.02351222     -1.34712109      1.23584182
          69
 Energy    -251.77566901086351     
  O     13.57427297      4.83436812    -16.39737163
  H     14.24749880      4.39859434    -16.93127734
  H     20.00159452      5.01971078    -14.76282101
  O     17.79412027      6.59408661    -12.03878478
  H     13.27187716      5.60062843    -16.90062743
  H     18.35577885      7.42873203    -15.81490209
  O     19.92061812      5.92044169    -17.89518209
  H     17.31299351      7.30810796    -12.48558365
  H     19.63308764      7.30817074    -16.65684062
  O     17.38951824      5.62389899    -18.82607889
  H     18.66377048      6.54971185    -12.45149385
  H     16.25709075      6.93065335    -16.47837600
  O     13.53686580      7.71176778    -10.36731855
  H     19.02491206      5.80116185    -18.25991761
  H     16.78294693      5.75167807    -15.59333153
  O     13.82109965      5.42805138    -13.73847850
  H     20.52673839      5.81922464    -18.62385823
  H     13.34158839      8.85106976    -14.84401285
  O     16.35650427      8.39017316    -13.53242078
  H     16.85861553      4.86302869    -18.56032734
  H     14.07317019      9.55017152    -16.02670719
  O     17.08381878      3.92122275    -15.35633558
  H     16.81119936      6.39154082    -18.72341425
  H     14.85248548      3.00765093     -9.76829453
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  H     14.41564269      7.33703204    -10.17833119
  H     14.16245953      4.13663960    -10.57313562
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  H     13.29205946      8.23156222     -9.60647613
  H     12.91623112      7.89348264    -16.98945922
  O     15.79333530      3.54194156    -17.70251686
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  H     12.05613346      7.42389570    -18.18911907
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  H     21.02867879      6.92870599    -13.32087630
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  H     15.41758771      8.42917401    -13.31221778
  H     16.82984373      5.11974444    -12.51974198
  O     13.26947077      9.07761322    -15.78041029
  H     16.79725172      3.91591843    -14.43330427
  H     15.90619428      4.00903606    -11.95421389
  O     15.02691684      3.76230766    -10.32329193
  H     18.05132602      3.97746640    -15.37253249
  H     15.70935839      5.52246869     -9.90691240
  O     12.85836782      7.23811726    -17.70938505
  H     12.85508402      5.94586023    -10.83326536
  H     16.67062927      6.56439020    -10.50941772
  O     20.18063743      6.59012256    -13.59898031
  H     12.95920387      5.10165188    -12.11537139
  H     15.68725750      8.57838297    -17.79049556
  O     16.26727226      4.37336234    -12.77148151
  H     17.30946633      9.66635326    -14.48843943
  H     14.66310892      7.45460236    -18.07748479
  O     15.92247674      6.46400684     -9.90732152
  H     18.44342484      9.48548868    -15.51390619
  H     13.49929118      8.12239950    -12.19907184
  O     15.60850415      7.65371026    -18.06030572
  H     15.72996884      2.62108696    -17.94389666
  H     13.66527093      7.18364912    -13.41801917
  O     13.63377105      8.11747480    -13.15422920
  H     16.25815938      3.57542498    -16.84685529
  H     15.60745494     11.10618703    -17.33640610
  O     15.65845030     10.23934769    -16.94181141
  H     19.91114773      4.85394243    -16.29582647
  H     16.42643277     10.25085302    -16.34511127
          69
 Energy    -251.77343223018613     
  O     -6.07734640      0.85765295      0.86778655
  H     -6.02966765      0.57511359      1.79008123
  H     -1.17677293     -1.00105881      2.83386635
  O     -6.08596014      2.78868116     -3.36452678
  H     -5.55196377      1.66874385      0.81189498
  H      1.21184804      1.62265472      1.33980758
  O     -5.50348551      0.10393719      3.50355340
  H     -6.73590954      3.34805091     -3.78102681
  H      2.13800948      2.21095436      2.42728261
  O     -0.10320160     -1.96341041      0.07164339
  H     -6.56436734      2.22720241     -2.72740173
  H     -0.01341891      3.60460251      1.96741075
  O     -2.31761970     -0.81485392     -1.16011084
  H     -6.01324118     -0.03595918      4.29716211
  H     -0.78278800      4.17551467      0.76628281
  O     -4.81785114      0.39210894     -4.29644188
  H     -4.80163843      0.73978163      3.73132535
  H     -3.60149585      2.31850338      0.74758371
  O     -4.88479512     -1.37210223     -0.35568205
  H      0.36740793     -2.78529067     -0.03349709
  H     -4.10134530      3.60601866      1.42661945
  O     -2.32013469      1.07105581     -3.10991466
  H     -0.50347065     -1.97921050      0.96193037
  H     -0.49497168      3.08112507     -1.55963968
  O     -3.69873875      3.25912366     -1.96485642
  H     -3.17663161     -1.13595481     -0.85052861
  H     -1.93924359      3.62832207     -1.38812255
  O      1.09885071      0.64074504     -0.11948768
  H     -1.60956557     -1.35414051     -0.78657485
  H     -5.71257367     -0.81618745     -3.38716344
  O      0.29958435      1.76327970     -2.65978534
  H     -5.25887418      1.23727121     -4.14239608
  H     -6.66248403     -2.03758212     -3.36348418
  O     -1.30401694     -1.87721639      2.44867225
  H     -3.89323061      0.53535228     -4.05984700
  H     -1.52352318      0.98871439      2.22921908
  O      1.22539371      2.15067982      2.15784404
  H     -5.27348332     -0.58591076      0.05461128
  H     -0.23175612      1.25682323      3.00943226
  O     -0.69873857      4.23951505      1.72764006
  H     -5.36743248     -1.51718864     -1.17883242
  H     -4.54193736     -1.39252157      2.76351317
  O     -4.31722320      2.97596906      0.72958576
  H     -2.33333208      0.33820409     -2.47260110
  H     -4.37680366     -2.01459861      1.36731332
  O     -1.08239475      3.54194224     -0.94855378
  H     -2.80402615      1.80739885     -2.70918086
  H     -2.19221006      0.58043490     -0.00067967
  O     -6.25472179     -1.37971553     -2.80692084
  H     -4.49817502      3.22625278     -2.50482239
  H     -1.63227426      2.02932792      0.12336573
  O     -1.09967626      0.84671595      3.09135012
  H     -3.99591582      3.22395711     -1.04367860
  H     -2.26870957      4.38083926      2.48928251
  O     -4.05739163     -2.06946802      2.27625987
  H      0.89965716      0.96154938     -1.00614896
  H     -3.26017000      5.28592189      3.25472273
  O     -2.14564053      1.35036328      0.57927051
  H      0.73460651     -0.25136050     -0.06134533
  H     -7.01756856      1.01432271     -0.73761191
  O     -3.17605771      4.43158427      2.84025036
  H     -0.58650158      1.47326103     -2.93556906
  H     -7.09809066      0.17549093     -2.02899246
  O     -7.28536216      1.04963563     -1.66552910
  H      0.81429954      1.86963546     -3.45580902
  H     -2.63702272      1.46503539      3.90067615
  O     -3.50891916      1.84933535      4.06766270
  H     -2.26030243     -2.03071037      2.43535598
  H     -3.45638822      2.75667414      3.74713325
          69
 Energy    -251.76595068728579     
  O     12.65078365     11.41490455    -14.50468353
  H     13.31217025     12.02823695    -14.16616671
  H     16.16951061      6.53424869    -15.61953752
  O     16.15123308      6.71288875    -13.80195663
  H     13.03675791     11.00789972    -15.29327062
  H     20.62588559      8.41752715    -14.85544486
  O     17.62408787      9.92259155    -10.98765700
  H     16.93381541      6.91419488    -13.27108068
  H     19.16132322      8.67331146    -15.27585692
  O     16.92165301     11.64966682    -14.69944514
  H     15.41674333      6.54173222    -13.19771656
  H     14.85823852      9.48178690    -14.92902544
  O     13.35496912      7.33949080    -16.92415568
  H     17.54418482      9.57285166    -10.09125982
  H     15.72533701      8.45095283    -14.13827396
  O     14.56025958      7.79538681     -8.77702254
  H     16.74720851     10.25135119    -11.22988756
  H     11.81401553     10.21611920    -13.55783824
  O     13.97341840      6.44032780    -12.10794870
  H     17.75067713     11.61331640    -14.20076615
  H     10.44607996      9.71053143    -13.04538336
  O     15.08999267     10.70677679    -11.84030027
  H     16.48299754     10.79907352    -14.53857905
  H     17.60312247      6.99582381     -9.42466711
  O     16.52530208     11.03755944    -17.34633788
  H     12.78044463      6.83848374    -17.49668705
  H     17.99384827      6.54404938    -10.84262570
  O     15.12626837      5.20094028     -9.87961980
  H     13.01162965      7.23166664    -16.01822904
  H     12.93085853      6.76235692    -13.65817297
  O     18.06105112      8.67959039    -16.60780476
  H     14.63382500      6.87009570     -9.04215579
  H     12.01694805      7.95522017    -13.98668583
  O     16.14667555      6.69808728    -16.57392133
  H     13.97350923      8.21183728     -9.42151784
  H     19.43049955     10.31200403    -13.60078123
  O     19.77174303      8.67195028    -14.51640191
  H     13.73188500      7.29174673    -11.71660299
  H     18.71308943     10.78371515    -12.31722230
  O     15.45341503      9.37550750    -14.17732908
  H     14.29240384      5.88830295    -11.38317537
  H     18.07686608      8.40423432    -11.90249524
  O     11.37579083      9.49872302    -13.06640966
  H     14.94279872     11.60438167    -12.15647123
  H     18.91551909      7.86127562    -13.08615290
  O     17.63558836      6.22447500    -10.00417665
  H     15.15894794     10.15942349    -12.64146022
  H     16.18820276      8.40486369     -8.57453177
  O     12.44980694      7.18746123    -14.37901699
  H     16.82576503     11.68164023    -17.98273369
  H     17.32313502      8.85105071     -7.62244600
  O     19.08855845     11.09582326    -13.15089223
  H     16.73624070     11.39195514    -16.46558402
  H     13.78129865      9.12331371    -16.80986503
  O     18.34002792      7.59191908    -12.35927632
  H     16.05465657      5.48798314     -9.95146086
  H     14.80730024     10.30132234    -16.96235610
  O     17.13233076      8.64120409     -8.53268834
  H     15.13676647      4.32405460     -9.50627452
  H     12.45928471      9.09006045    -11.58722766
  O     14.00939307     10.01140468    -16.50311822
  H     17.60511653      9.44785404    -16.96292337
  H     13.85623030      9.58552378    -11.16835579
  O     13.19408043      8.90145254    -10.99049211
  H     17.43206959      7.94454965    -16.67027834
  H     15.61298809     12.64749580    -13.94768690
  O     14.84116970     13.00951414    -13.48088401
  H     15.21968306      6.84820864    -16.78767583
  H     14.98318275     13.94935137    -13.40204767
          69
 Energy    -251.76389317046869     
  O     11.89687612     10.95127820    -14.82552784
  H     11.59976636     10.63045646    -13.96555667
  H     15.09021714      5.90835635    -15.18457333
  O     15.54753823      6.61180999    -13.48827917
  H     12.54275416     11.64840659    -14.65784656
  H     18.46732830      7.51800087    -13.82296552
  O     17.47532465     10.13220865    -12.16380023
  H     15.28735520      7.45040627    -13.90305008
  H     17.90101089      8.38546781    -12.67087932
  O     17.56808647     10.31953763    -14.96817222
  H     16.47364636      6.72759364    -13.24351612
  H     16.49649215     11.48036658    -15.90116493
  O     12.03038287      6.60776193    -15.85661249
  H     16.56412500     10.45432338    -12.21785093
  H     15.49961976     11.29626947    -17.05823936
  O     15.23700942      9.03001120     -8.71542760
  H     17.68219045     10.06645869    -11.22324946
  H     15.82507285      9.42447925    -14.92306888
  O     13.79608167      6.79875051    -11.39537882
  H     18.10867228      9.57528305    -15.26116666
  H     14.33695342      9.07915818    -15.27298715
  O     14.82643112     10.89067542    -12.57697948
  H     17.68179332     10.38861425    -14.01098447
  H     10.29474999     10.05430373    -11.81357562
  O     16.64202065      7.64661310    -17.20662239
  H     11.89396509      6.76933784    -14.90564460
  H     11.80658138      9.76482160    -11.68723439
  O     15.42492309      6.20905731     -9.17491063
  H     11.30740858      6.05834404    -16.14716197
  H     17.98184980      7.80454543     -9.85723017
  O     18.80708582      7.88634264    -15.64482893
  H     14.51154220      9.30629078     -9.28907766
  H     18.06010201      6.92663210    -11.11757917
  O     14.80544114      5.88143877    -16.10793139
  H     15.22621398      8.06432892     -8.72605089
  H     12.32578895      6.91170098    -12.56047062
  O     18.13675905      7.47890682    -12.91698383
  H     14.41888159      6.66796082    -12.12713982
  H     11.37168739      8.04599453    -12.98425432
  O     15.73716007     11.89183798    -16.33801746
  H     14.24441947      6.48602230    -10.60089423
  H     16.86378417      9.51865515     -9.12598014
  O     15.00188910      9.05972935    -14.57452943
  H     14.79600303     10.18643676    -13.24575201
  H     18.22309528     10.12109436     -8.69588072
  O     11.07170369      9.82803947    -12.31934695
  H     14.57791268     11.69593101    -13.04537930
  H     14.21727144      9.57941428    -17.68917794
  O     17.85661435      6.90117680    -10.17377100
  H     16.15523780      8.37120121    -17.61197162
  H     14.74372676      9.90625735    -19.10604376
  O     11.68420282      7.16925711    -13.23501256
  H     15.98686899      6.99976634    -16.90382793
  H     13.49984445      8.55254518    -11.00311162
  O     17.78235745      9.67214537     -9.41216201
  H     15.50699041      5.46344543     -8.58658339
  H     13.87890806     10.03267651    -11.33977407
  O     15.01133949      9.83064297    -18.19346111
  H     16.30964360      6.36943297     -9.55023105
  H     13.98241454     13.77898259    -14.51151483
  O     13.32267221      9.47747517    -10.77189901
  H     19.58877402      7.65280651    -16.13759663
  H     14.62997894     12.52934745    -15.15105220
  O     14.03429347     12.82976737    -14.44064768
  H     18.04638199      7.73666748    -16.23740162
  H     12.58606474      8.27410425    -16.38877031
  O     12.98184888      9.14243251    -16.53358242
  H     13.85411639      6.03515553    -16.08700414
  H     12.50205400      9.79182916    -15.99524396
          69
 Energy    -251.76220722895798     
  O     11.74884624     10.45336707    -15.80049952
  H     12.32252762      9.82088788    -16.25212533
  H     18.59047204      9.01733820    -14.82898779
  O     15.86356756      6.91194725    -12.79722422
  H     11.29806623      9.95826999    -15.10561090
  H     16.42796385     11.92176277    -15.50753901
  O     16.37133184     11.33944187    -11.53518519
  H     16.49241727      7.50495478    -12.36205531
  H     14.96231976     12.23170200    -15.92574109
  O     17.55907399     11.75439009    -14.09677997
  H     15.06340503      6.87532149    -12.25604403
  H     15.25636812      8.29503443    -13.82219009
  O     13.51505345      5.99132101    -16.19475831
  H     16.17694163     11.38752726    -10.59155776
  H     15.93739916      9.15731508    -14.89662069
  O     13.28324934      9.78744681     -9.00177831
  H     15.51949499     11.36325635    -11.99643139
  H     11.04192266      8.01505931    -13.82314492
  O     13.46624100      7.05142324    -11.43890581
  H     18.21144965     11.04500878    -14.11373877
  H      9.63700907      8.65061093    -13.69781158
  O     14.07389129     11.18995743    -13.02837274
  H     17.22746294     11.77496706    -13.19052878
  H     16.47054320      9.36628715     -8.92838422
  O     17.39669350      8.53809408    -16.01774783
  H     13.53218589      6.91552638    -16.49584664
  H     17.14525808      8.46646104     -9.98020643
  O     14.34982710      7.12039549     -8.78951033
  H     13.12969771      5.47857466    -16.90145435
  H     12.53901490      6.53155983    -13.01853303
  O     16.29387528      6.09462490    -15.43432611
  H     13.51009009      8.86595950     -8.82612866
  H     12.56035879      6.27871727    -14.55511344
  O     19.14334429      9.33926023    -14.09547253
  H     12.82156014      9.79201611     -9.85080185
  H     18.24159365      8.93054180    -12.48613531
  O     15.80613598     11.89913060    -16.24992143
  H     13.09309615      7.94209838    -11.50878981
  H     17.15083502      9.69680476    -11.70749774
  O     15.12549667      9.07140972    -14.38179627
  H     13.70672151      6.93078207    -10.51166015
  H     15.64956068     11.70059125     -8.08107343
  O     10.56584083      8.86207349    -13.74513001
  H     14.45813373     10.45703713    -13.53728981
  H     14.76245035     10.70897862     -8.87154234
  O     16.69320855      8.44794800     -9.12702383
  H     13.76108502     11.83428068    -13.67350708
  H     15.88963281     10.67337415    -17.42430967
  O     12.00879270      6.57966283    -13.82440583
  H     17.00980902      8.92202367    -16.81247716
  H     16.15772289     10.22177994    -18.88270297
  O     17.59436105      8.83809565    -11.77689114
  H     17.05404327      7.63533290    -15.91429169
  H     12.90912914     10.22131609    -12.08172010
  O     15.65100951     11.10578773     -8.82601040
  H     14.41275152      6.50998869     -8.06019946
  H     11.60030953      9.42072397    -12.26783857
  O     15.92107607      9.89828750    -18.01842781
  H     15.23122347      7.52151440     -8.89812650
  H     12.73218176     13.45487535    -15.42724642
  O     12.30944856      9.60210943    -11.63994848
  H     16.22430724      6.20793368    -14.47497667
  H     12.64020084     11.90938547    -15.47806277
  O     13.21857234     12.65693389    -15.24008751
  H     15.39408388      5.92704219    -15.73678919
  H     14.11375536      8.80843932    -15.84568096
  O     13.73463777      8.67697076    -16.72995117
  H     20.05044017      9.19164981    -14.34991644
  H     14.38117939      9.04666135    -17.34389339
          69
 Energy    -251.75539933299984     
  O     -0.32199631      2.84948290     -1.74367891
  H      0.41313566      2.23851314     -1.59535760
  H      0.03923378      4.68423294      4.45031641
  O      0.43272392      5.27192682     -0.35389560
  H     -0.04180763      3.69609832     -1.37871982
  H     -2.68491866      0.67865535      2.24204993
  O      3.82001423      1.96896198      3.03047052
  H      1.17677547      5.30431636      0.27515984
  H     -2.66902881     -0.09825522      3.57470599
  O      1.33303089      1.78367923      1.71014366
  H      0.30553962      6.16226487     -0.67034382
  H      0.26370452      0.31494103      3.98847568
  O     -2.67424003      1.58651814     -1.23417268
  H      4.13200123      1.11844537      2.69333478
  H     -0.65807605     -0.34008473      2.93922049
  O     -3.03849471      2.29337021      1.47391374
  H      4.24369459      2.65317040      2.49582158
  H      3.71798360     -0.87999244      1.71242297
  O      1.68323348      1.06458775     -0.94386681
  H      2.17648523      1.95403486      2.14540049
  H      5.24126979     -1.04585887      1.91911026
  O     -1.73436427     -0.82662428     -0.03477512
  H      0.93722343      1.02568661      2.16259209
  H      2.98913449      2.42368108      4.60077209
  O      2.38540933      5.29528986      1.52048047
  H     -1.84748746      2.06378403     -1.42805032
  H      1.68672056      2.26304932      5.43317699
  O      4.75975617      3.78568283      1.10707237
  H     -3.20681379      1.63207317     -2.02372578
  H     -3.45000037      2.87424574      3.27138798
  O      0.74623183     -1.59373120     -0.76271439
  H     -3.13663224      2.07651539      0.53938653
  H     -2.57593440      3.56927597      4.34163933
  O     -0.74984859      4.15721869      4.28322053
  H     -2.20861923      2.79355214      1.52545728
  H     -3.42664904      0.38681777      6.05474089
  O     -2.45855030     -0.17730593      2.63663792
  H      1.55713815      1.32589954     -0.01813111
  H     -3.09943282      1.48962757      5.01847190
  O      0.26607224     -0.26082880      3.21144789
  H      1.41740035      0.13865269     -1.00111844
  H     -0.97633509      1.18254637      5.48199371
  O      4.56586532     -0.40010003      1.73082175
  H     -2.07705453     -0.04313774     -0.48319276
  H     -0.32948448      2.46857465      4.93422434
  O      2.46400240      2.82062674      5.31035490
  H     -2.05480645     -0.78185364      0.87391450
  H      3.50656854      1.40560524     -0.74344727
  O     -3.36468273      3.02373687      4.22204939
  H      3.21412291      4.82100143      1.38186933
  H      4.52869422      0.82003441      0.24807376
  O     -2.81861635      0.62019331      5.35857842
  H      2.21514320      5.30095192      2.46991605
  H     -0.44109646      4.28742135      0.93414345
  O     -0.12486018      1.58147994      5.26508007
  H      4.63924916      3.03962498      0.49150282
  H      0.05762866      2.99662859      1.63090527
  O      4.38569628      1.54939948     -0.36829438
  H      5.60983714      4.16976943      0.90987263
  H      1.71508477     -1.71332371      0.84883636
  O     -0.66862077      3.63860814      1.60940250
  H     -0.16259260     -1.36001810     -0.49996426
  H      1.52777573     -1.29643089      2.32291590
  O      2.17562643     -1.64131925      1.69391691
  H      0.67466810     -2.30219641     -1.39665142
  H      2.21755000      5.95962794      4.94463690
  O      1.86521492      5.28805359      4.36602839
  H     -0.75930612      4.02400415      3.32219207
  H      2.13160097      4.42972765      4.74240732
          69
 Energy    -251.74336173549423     
  O     18.15051244      8.76231045    -10.06736458
  H     17.37038178      9.21036764    -10.41766926
  H     16.61262457     12.46255721     -7.41306786
  O     14.15514259      8.39953776    -10.36437968
  H     17.89731573      7.85673517     -9.84648675
  H     16.90162455     11.52936235    -10.96196997
  O     19.24280151      3.39631862    -12.41106723
  H     13.21023093      8.42755785    -10.24323308
  H     18.32006774     12.13925847    -10.85512386
  O     21.27288001      7.19678880    -12.05296859
  H     14.55512019      8.67542119     -9.51797743
  H     18.51059939     10.66397325     -7.66563349
  O     15.38688401      9.23877955     -8.13518601
  H     19.23477012      2.44517516    -12.47272554
  H     18.86976460      9.53579050     -8.64434083
  O     18.00972933      6.22630467    -15.24751765
  H     18.35997483      3.70434849    -12.68463984
  H     19.74886160     10.22286506    -12.30018605
  O     22.74088342      8.21095667     -9.85459693
  H     21.90301885      7.52027986    -11.39797004
  H     19.12449731      9.05977252    -11.50277418
  O     16.88251137      7.17106513     -7.07347162
  H     20.69988122      7.94867248    -12.26345837
  H     20.10610204      4.68140659    -13.56644925
  O     21.27382388      6.55429181     -8.31586707
  H     15.88274606      8.54098389     -7.68003816
  H     20.79786255      6.05743293    -13.46891022
  O     19.60888860      7.77131346     -6.34981658
  H     15.86195327     10.06223414     -7.98709990
  H     17.15696374      4.98100956    -14.05121565
  O     17.45170772      6.11589137     -9.58450618
  H     18.88594697      5.99720000    -14.88787722
  H     16.36863434      5.02622808    -12.73038528
  O     16.95002605     11.67999097     -7.84015030
  H     18.06992945      6.14184765    -16.19518370
  H     15.29404950      9.57111568    -11.25766109
  O     17.44080341     12.15695646    -10.46025270
  H     22.25354776      7.62657440     -9.24506595
  H     16.34609600      9.53196689    -12.40053108
  O     19.19523722     10.01382549     -7.86397226
  H     23.66697293      8.10679157     -9.65184031
  H     20.70311344     10.52162574     -8.85099855
  O     19.51679891      9.28907846    -12.36181024
  H     17.01627496      6.65584128     -7.88208157
  H     21.86003974      9.88447788     -9.65822063
  O     20.33864801      5.46559805    -14.07899850
  H     17.76318794      7.29893426     -6.70486736
  H     15.12080252      7.07296910    -11.30421279
  O     16.89658457      4.44434782    -13.29194321
  H     20.67426184      6.85794049     -7.62410838
  H     16.27467629      7.13473775    -12.34019183
  O     16.07104385     10.02085284    -11.61381410
  H     20.77085668      5.97783913     -8.90507341
  H     17.40612461      7.63174448    -14.19506457
  O     21.35613101     10.69864814     -9.54094607
  H     19.90600636      7.97010926     -5.46510912
  H     18.05479632      8.62287380    -13.20190690
  O     15.77936639      6.53606928    -11.76232044
  H     19.50251947      8.62244510     -6.80847153
  H     20.59470519     12.65692685    -11.91472196
  O     17.20428169      8.26112022    -13.49178619
  H     18.29606535      5.74918499     -9.88069034
  H     20.59004339     11.53466804    -10.84765680
  O     20.08522440     11.92079177    -11.58725107
  H     16.84683420      6.11841672    -10.33823278
  H     20.36291940      5.95499004    -11.02433764
  O     19.93113026      5.28976580    -10.46983939
  H     17.11519346     11.91792580     -8.77089208
  H     19.74869727      4.53385820    -11.04197379
          69
 Energy    -251.72585265090066     
  O     18.95685416      9.53797837    -11.24685926
  H     19.39371362      8.73756367    -11.56240870
  H     16.17981085     11.13471433     -7.31616252
  O     14.14615372      6.53663807     -8.45919859
  H     18.34959364      9.24707953    -10.54923435
  H     18.24681007      5.93422971    -14.40978219
  O     19.55802018     11.25124705     -9.10064250
  H     13.38162396      5.98203647     -8.59454524
  H     17.47681090      5.33279480    -13.21712582
  O     13.84106678      9.40452561     -8.30170391
  H     14.56501162      6.65542474     -9.32952181
  H     16.07735301      7.75159758    -10.21585140
  O     16.99694169     10.55193807    -12.89084875
  H     19.84363863     10.59105142     -8.45708676
  H     15.22931434      7.58948468    -11.50176325
  O     19.92269888      7.03413916    -11.92377379
  H     19.54681045     10.78811784     -9.94973199
  H     19.04972017      7.89116614    -14.88229083
  O     20.28116991      6.98237101     -9.09525992
  H     14.43700833      9.76086830     -7.63442473
  H     20.30317494      7.18582928    -15.45089021
  O     17.67478320      5.45268724    -11.35938509
  H     13.90809548      8.44456461     -8.23908187
  H     18.50283636      8.72983996     -6.71997634
  O     13.86286389     10.54799211    -10.85047480
  H     17.73674358     10.23733144    -12.34945854
  H     17.03518405      9.21481044     -6.43982292
  O     16.86717066     11.67125757     -8.84014724
  H     16.62000550     11.31214361    -12.43356435
  H     16.92249867      8.47524903    -15.25025242
  O     15.67872005     12.47024443    -11.25102299
  H     19.14215284      6.48923317    -11.74350119
  H     17.51016714      9.66318697    -14.46326428
  O     15.83402911     10.65212248     -6.54445470
  H     20.00687119      7.07093657    -12.88465395
  H     16.82382140      9.83082771     -9.25053482
  O     17.41560787      5.50892584    -14.16524050
  H     19.74505038      6.19921391     -8.92051120
  H     17.28149917      8.58649995     -8.45879521
  O     15.55089058      7.11381951    -10.72490639
  H     20.35383238      7.03983455    -10.05569391
  H     20.28040408      8.32415709     -7.99209538
  O     19.69464274      7.18000924    -14.71710022
  H     16.89540792      5.99179383    -11.16111714
  H     21.03318501      9.04992935     -6.85337196
  O     17.58619433      8.44082004     -6.61623820
  H     17.96346422      5.07201279    -10.52090276
  H     15.59997442      9.35369425    -12.85744996
  O     17.72229608      9.00310110    -15.13605642
  H     13.98963390      9.84883714    -11.50204205
  H     14.92434177      8.20062912    -13.63740027
  O     17.05832534      8.89835038     -9.34376443
  H     13.79616578     10.13146771     -9.97919956
  H     17.83904275      5.11863754     -8.20752721
  O     20.22219282      9.06009094     -7.35537344
  H     16.50503562     12.06167217     -9.64416651
  H     18.77789242      3.90220287     -8.39132696
  O     14.86051748      8.72817821    -12.83166432
  H     17.83502101     11.66022404     -8.90925549
  H     16.96444536      6.74212373     -6.87838651
  O     18.53412609      4.73996525     -8.77571148
  H     15.27352001     13.29152546    -11.51513615
  H     15.74872344      6.06806621     -7.55811610
  O     16.64684924      5.90583590     -7.24664955
  H     14.95613046     11.82956056    -11.10435794
  H     16.12068665      6.52271219    -14.75632848
  O     15.48810426      7.18541663    -15.08763824
  H     15.55178183     11.30844257     -5.91252574
  H     15.01392067      6.77781584    -15.80713247
          69
 Energy    -251.72284338359117     
  O     -9.09207647     -1.01351761      5.44643003
  H     -9.02717226     -0.08246342      5.70649793
  H     -4.62217595      0.72692554      4.11373611
  O     -7.92766883      0.59423914      1.20424404
  H     -8.53755120     -1.50804976      6.06279266
  H     -7.31426231     -2.88571244      7.80144197
  O     -7.27873807     -0.97535454      3.34445005
  H     -8.87870402      0.52645640      1.05982912
  H     -6.35421390     -2.23305677      6.78172330
  O     -4.93638586      3.62997507      1.25269578
  H     -7.72033105     -0.00478473      1.93862896
  H     -3.23555438      0.17655982      6.72453961
  O     -4.83172013      3.89644207      6.01351724
  H     -7.98061227     -1.09287991      3.99637540
  H     -1.92175708     -0.61050975      6.94421149
  O    -11.31969417      2.45905270      4.91210640
  H     -6.60770715     -0.42211202      3.77370886
  H    -10.59996136      2.33330257      1.91177455
  O    -11.22186817     -0.19112707      3.79782602
  H     -4.40056551      3.57847636      2.06388726
  H     -9.50762441      3.36533972      2.24550586
  O     -8.92915081      1.69479528      6.17254413
  H     -4.50049006      4.25248029      0.67645716
  H    -10.92254359      0.19435524      2.11950247
  O     -3.45432328      3.37460891      3.50946745
  H     -4.94030188      4.74739453      6.43115928
  H    -11.40902960      0.18296323      0.65093495
  O     -5.17301460      0.82910150      0.65775712
  H     -5.66667749      3.70079286      5.55450019
  H     -5.90005791     -2.23862314      3.16381506
  O     -2.80323225      0.66601246      3.73100906
  H    -12.07576692      2.99253064      5.14146700
  H     -4.44847292     -2.18652445      2.65849842
  O     -5.48038197      0.71253351      4.55504456
  H    -11.00032350      2.77987357      4.04932420
  H     -4.04039258     -0.36105936      1.19722286
  O     -7.21556547     -2.13190198      7.22587652
  H    -10.57537323     -0.65204831      4.34801097
  H     -2.91190902     -1.35579569      0.83533800
  O     -2.63260552     -0.47399207      6.32294834
  H    -11.39122461      0.64821588      4.24359096
  H     -4.85753779     -2.54735309      5.04879153
  O    -10.42334020      3.12539522      2.43551647
  H     -8.28432077      2.19117577      5.64907566
  H     -4.03280435     -1.82473021      6.13484163
  O    -10.74095588      0.54288109      1.22789398
  H     -9.79831379      1.99587969      5.87958041
  H     -4.54326448      2.22765769      6.88476862
  O     -5.03629572     -2.66396938      3.25464601
  H     -3.80403552      3.59839102      4.37860744
  H     -5.37079781      1.09658683      7.58206037
  O     -3.39707084     -0.99109259      1.57068505
  H     -3.08713545      2.48233763      3.58217224
  H     -7.73759391      1.03829714      7.49912981
  O     -4.82018653     -2.35988564      5.99892996
  H     -6.12750767      0.68565492      0.69488845
  H     -7.10963504     -0.33757512      7.81759315
  O     -4.52061188      1.30381308      7.16157219
  H     -5.03944806      1.77396597      0.79566191
  H     -7.74728150      2.33580286      1.68639888
  O     -7.00786756      0.61151762      7.96551439
  H     -2.86368917      0.02993644      3.00542100
  H     -6.76412653      3.52913134      1.64964972
  O     -7.64304717      3.26400394      1.94759642
  H     -2.60644778      0.18609327      4.54577789
  H     -6.47230789      2.16173381      4.52044500
  O     -7.00210575      2.96962764      4.61697211
  H     -5.28861015      0.71793797      5.50059497
  H     -7.30221745      3.19662081      3.72807408
          69
 Energy    -251.71106450292592     
  O     15.67960010     14.13007925     -8.96538695
  H     15.56372043     15.05456209     -8.76408520
  H     14.60680447      8.95631285     -7.12410931
  O     18.46443446      5.40586916     -6.93154713
  H     16.08568461     13.72081463     -8.17959402
  H     16.67035336     12.52086304    -13.96860525
  O     16.02788810      4.43218847     -7.66056742
  H     18.30208614      5.85519376     -6.09279826
  H     16.73874534     12.27078868    -12.44318844
  O     12.46128727      9.58872597     -9.23324906
  H     18.60564677      6.10916925     -7.58020143
  H     18.85853642      9.18744655    -11.48947997
  O     17.24031482     12.69369313    -10.83261917
  H     16.93984134      4.66173569     -7.40674830
  H     20.31348407      8.75020065    -11.20733204
  O     19.42304987     11.58231650     -6.78197325
  H     16.00119226      3.48687107     -7.77791260
  H     17.58189008      6.77611892     -3.74775866
  O     17.61811924      9.38453283    -12.67526309
  H     12.47095655      9.27583992    -10.14557857
  H     16.64932208      6.77405143     -4.98101670
  O     15.68744185      6.81745306     -9.10733826
  H     12.71159562     10.51963234     -9.27919126
  H     13.07274473      9.81409149    -12.26421218
  O     15.92389635     10.18477854     -7.00628183
  H     18.08615206     12.45806766    -10.41938343
  H     12.12453525      8.64582210    -12.63200710
  O     13.82793869     12.06787908     -9.72975139
  H     16.75455095     13.27459856    -10.23468132
  H     16.55692384     11.05006517    -10.16700552
  O     16.81913240     12.82893637     -6.89210687
  H     19.11732138     10.69017239     -6.54753620
  H     15.86619651      9.66087027    -10.38062328
  O     14.01556720      8.23924049     -7.39618066
  H     20.16165032     11.77660143     -6.20998806
  H     18.44178212      8.59807322     -7.15649315
  O     16.41084522     11.90781089    -13.28534603
  H     17.25259415     10.21297927    -13.00505312
  H     18.17957997      8.41816393     -5.63668540
  O     19.51710486      9.06031833    -10.78304284
  H     16.85993021      8.85831717    -12.38104253
  H     18.73607750      8.09398564     -9.41403006
  O     17.55596700      6.96836089     -4.68112002
  H     15.74040882      5.92513165     -8.74506984
  H     17.42534492      7.42996586     -8.87669245
  O     12.80328224      8.91007913    -12.01727216
  H     15.08550049      7.31775717     -8.53663971
  H     15.48902833      7.58077607    -10.71891550
  O     16.03187907     10.36257353     -9.73953588
  H     16.73860278      9.78651837     -6.67529004
  H     14.52099982      8.33377420    -11.68893091
  O     18.40500548      9.07150203     -6.31071648
  H     16.00669795     10.22655008     -7.97332810
  H     19.49018871     11.63668625     -8.67363259
  O     18.34262232      7.64386301     -8.65692251
  H     14.52851414     11.39758467     -9.70688854
  H     19.53764505     10.77717337     -9.96492314
  O     15.44991981      8.19772387    -11.46341216
  H     14.25301929     12.87980487     -9.43372535
  H     15.27492076      5.58091417     -6.28089240
  O     19.44093407     11.67951067     -9.63580859
  H     16.34565462     11.98987011     -6.80476926
  H     14.59322269      6.95969100     -6.16506003
  O     15.11735499      6.31314140     -5.67288056
  H     17.75082032     12.59030555     -6.83345135
  H     14.58791478     11.58014497    -12.81705460
  O     13.70305918     11.41319305    -12.47196266
  H     13.35728756      8.63900907     -7.98229282
  H     13.67548697     11.79601234    -11.58427509
          69
 Energy    -251.70845824678767     
  O     13.11640717      9.43021834    -16.84384470
  H     12.76326823     10.30646383    -16.60664705
  H     16.75627587      8.53689948    -11.29495889
  O     14.30151007      8.64267174    -14.42546982
  H     13.36385917      9.47332218    -17.76341394
  H     14.88972762      7.42516307    -11.65895525
  O     13.29829227     12.62209639     -7.04723779
  H     14.03646107      8.84404599    -15.33119263
  H     15.35401439      7.72669449    -13.09147841
  O     11.95732630     11.77228193    -16.07153386
  H     13.47891686      8.51178362    -13.92962768
  H     13.86221265     15.42421986    -11.68030102
  O     11.92385465      8.37429254    -12.98972188
  H     12.88456934     13.06707439     -7.81069837
  H     14.55740912     14.10206018    -11.28685378
  O     13.55185060      7.89042471     -7.78334594
  H     13.19808635     13.20537739     -6.30032722
  H     13.34451151      7.68979219     -9.69940359
  O     13.91445933     10.60019286    -10.71642036
  H     12.26654432     12.22581951    -15.27679834
  H     13.60018088      8.84680495    -10.67701138
  O     12.04788235     10.11717117     -7.64399629
  H     11.03926354     11.52895319    -15.89811808
  H     18.42185217     11.43431287    -12.58907596
  O     16.04807454     13.35849401    -10.75740262
  H     12.26742920      8.07865522    -12.13718456
  H     17.47655641     10.62539431    -11.66789942
  O     11.27571598     11.12504811    -10.13664021
  H     11.51901227      9.24264551    -12.85462205
  H     10.14519989     10.88216441    -13.60446269
  O     12.79782330     12.67592066    -13.51716403
  H     13.18035235      7.22723480     -7.20791601
  H     11.42399796     11.56178607    -13.04637208
  O     17.22120996      9.19525582    -10.75514003
  H     12.98341802      8.67932690     -7.70611523
  H     15.73746259     10.82973659     -8.30256238
  O     15.67333341      7.44967778    -12.22422423
  H     14.30920460     10.79687977    -11.57498893
  H     14.76449836     12.00775889     -7.97756339
  O     13.70099950     14.49537361    -11.53302318
  H     14.46282160     11.00920944    -10.03652327
  H     15.90681095     11.16953852    -13.05806612
  O     13.36706484      7.90491493    -10.63644335
  H     12.43819423     10.92835296     -7.29781587
  H     14.85560257     10.19622119    -13.70619861
  O     17.53735745     11.41673980    -12.23498541
  H     11.59759202     10.37411692     -8.46059010
  H      8.54226326     10.60595882    -15.66686057
  O     10.72661069     10.92291938    -12.83620884
  H     15.93404120     12.87969234     -9.92488838
  H      9.81724436      9.75264151    -15.45647141
  O     15.43169180     11.69448200     -8.60277074
  H     16.62732876     12.80600635    -11.29504513
  H     16.68232404      8.59713735     -7.42311247
  O     14.97283868     11.05043764    -13.26777497
  H     12.21369792     10.96472341    -10.33169411
  H     15.23715940      8.57603858     -7.96362074
  O      9.42883736     10.63566160    -15.31885843
  H     10.82841630     11.05025633    -10.98785692
  H     12.66165383     13.97900209    -10.03173615
  O     16.09792741      9.01383559     -8.05283267
  H     12.97943321     13.38525925    -12.89037633
  H     11.70285761     12.84789728     -9.60024651
  O     12.17500460     13.62807236     -9.27687156
  H     13.59404045     12.12166897    -13.51625107
  H     11.11577959      8.11580341    -14.68705038
  O     10.78778099      8.29521623    -15.57895145
  H     16.87571281      9.10497243     -9.86278683
  H     11.56455643      8.52657709    -16.10338419
          69
 Energy    -251.69748554637212     
  O     12.03141700     10.83837057    -10.67141099
  H     12.35893834     11.74590977    -10.63920793
  H     12.97592502      7.80594578    -15.10154657
  O     11.72992230     11.41672710    -17.12141624
  H     12.62596941     10.30615986    -10.12370959
  H     16.10322413      8.88922777    -12.88198740
  O      9.03159225     10.75266495    -13.75730330
  H     12.63890303     11.09896704    -16.96953369
  H     15.13035429      7.75906811    -12.45384750
  O      9.97413269      7.76273093     -8.99445150
  H     11.71491268     11.79462197    -17.99623056
  H     14.82740221     12.11331133    -10.35855951
  O     13.34324558     13.30785575    -10.67990554
  H      9.73396972     11.39050401    -13.96728926
  H     15.00390102     10.69220073     -9.77973102
  O     14.22765076     10.54591183    -16.57171762
  H      8.20403640     11.22012958    -13.84838356
  H     10.66690106      9.98460229    -16.46142545
  O     13.37582109     13.77426200    -13.34753261
  H     10.04863836      6.87189928     -9.36083257
  H      9.70618850      9.68899771    -15.28828627
  O     16.90427032     10.52998300    -12.35175508
  H      9.76239835      8.34125889     -9.73690507
  H     13.86626531      6.58661280    -10.39704997
  O     13.15535206      5.66257904     -8.98012042
  H     13.24871978     14.12610413    -10.19983647
  H     13.06471395      7.24346376    -11.53373875
  O     11.22663863     12.26566262    -14.49503573
  H     13.36528201     13.53801918    -11.62549405
  H     10.86806621      5.84952444    -11.04383405
  O     12.79382598     10.33365536    -13.31292924
  H     14.63276241     11.03975122    -15.84584004
  H     10.13848198      4.54811199    -10.63619171
  O     12.15107323      7.90502934    -14.61201048
  H     14.41860653      9.61810532    -16.38897923
  H     11.57303071      7.25403477    -13.10169757
  O     15.64147916      8.10377394    -13.19753907
  H     12.56275071     13.48868938    -13.78123045
  H     10.78569719      7.88443098    -11.91480522
  O     15.47135419     11.40689248    -10.23320105
  H     14.07316236     13.19794455    -13.69186320
  H     15.20922411      7.18516617    -16.16248109
  O     10.22652337      9.26964795    -15.98330547
  H     16.42778309     10.85430401    -11.56651526
  H     15.09552168      7.94926645    -14.82131364
  O     13.93583781      7.23269576    -11.11542070
  H     17.83450584     10.62691139    -12.16708085
  H      9.46573785      9.77648107    -12.16390765
  O     10.61970505      5.29258617    -10.28495324
  H     12.92750087      6.34594291     -8.33803432
  H     10.54231755      9.95407675    -11.06575707
  O     11.32343455      7.12399630    -12.17548189
  H     12.31197284      5.37119055     -9.35016567
  H     11.38665174      7.94454112     -7.96591700
  O     14.71596655      7.86799673    -15.71629864
  H     11.78847772     11.59794584    -14.06803965
  H     11.98905047      8.01740320     -6.54309662
  O      9.84648674      9.35736944    -11.38378511
  H     11.34918993     12.13891103    -15.44527855
  H     15.81449218     11.37184822    -13.62963289
  O     12.22203870      7.95807767     -7.46563004
  H     12.55902537     10.37422358    -12.37792724
  H     14.30279747     11.14336877    -13.83251937
  O     15.05679367     11.67002911    -14.14553217
  H     12.58423843      9.46037002    -13.66440847
  H     13.97644212      8.61594915     -9.94227666
  O     13.85602237      9.31493705     -9.28271134
  H     11.48105003      8.29694207    -15.19209656
  H     13.37712421      8.91759649     -8.54462326
          69
 Energy    -251.69382915674277     
  O     12.40399275     11.48825293    -14.55222530
  H     12.42903144     10.76369953    -15.19360788
  H     19.31911535      7.02208334    -16.15012022
  O     15.19004497      6.70370521    -13.02021774
  H     13.20564603     12.00167369    -14.69913427
  H     16.70348825     10.75484213    -16.53179572
  O     17.99440264      9.92571265    -12.55871045
  H     15.08293568      7.50040603    -13.56493915
  H     15.52080769     10.52715978    -17.48617800
  O     17.54065266      9.62555117    -15.29633739
  H     14.68871499      6.86512559    -12.21154342
  H     14.96705293      9.78159369    -13.79834465
  O     11.62510733      6.90944925    -15.18953760
  H     18.20931094     10.09177482    -11.63203265
  H     14.20171099      9.13444403    -14.99682531
  O     15.78990232      9.83690859     -8.83661557
  H     17.93519026      8.96275154    -12.64997208
  H     11.73935200     10.97743629    -13.03790340
  O     13.74711327      7.49505176    -10.78111025
  H     16.62927968      9.34282398    -15.11133803
  H     10.58188907     11.09780692    -12.01832219
  O     15.50442266     11.19187119    -12.70913278
  H     17.89685996      9.91437368    -14.44646529
  H     18.09184411      7.06261461    -11.00756522
  O     15.94410784      6.85727944    -17.06876946
  H     10.80177773      6.45522713    -15.34741939
  H     18.28333888      8.14899976     -9.92943417
  O     15.64687256      6.96671393     -8.77862155
  H     11.61258042      7.19479157    -14.25758862
  H     12.26524505      7.54494797    -11.96778868
  O     14.16949729      5.58846461    -15.38330448
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  H     11.46340572      8.74994407    -12.49627168
  O     18.49493341      7.07582506    -15.67192494
  H     15.04377996     10.10461236     -9.38911837
  H     16.94296265      6.88339817    -12.87942924
  O     15.99142644     11.21361806    -16.99834503
  H     14.30118923      7.20070661    -10.04783516
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  H     13.78616780      8.46280884    -10.77744856
  H     18.85146600     10.57960099     -9.17165428
  O     11.39126255     10.62705087    -12.19808229
  H     16.41023134     10.85479915    -12.66731032
  H     17.41174933     10.07681264     -9.43211473
  O     18.03380585      7.22577936    -10.05691309
  H     15.43397894     11.82600505    -13.43404490
  H     14.60460267      8.78689936    -19.12400038
  O     11.62631019      7.80990811    -12.64092293
  H     15.32453674      6.34553709    -16.52575836
  H     15.16945956      8.19579045    -17.81079593
  O     17.88322956      7.12332858    -12.86858164
  H     16.80566105      6.77654839    -16.65013724
  H     12.91175725     10.47499908    -11.11861442
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  H     14.41434883     10.67220124    -11.41543776
  O     14.68560036      8.95358251    -18.18886768
  H     16.50596607      6.97187814     -9.23751201
  H     15.29987840     12.22358889    -15.74931646
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  H     14.53374291      5.76975389    -14.50621248
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  O     12.78101818      9.25772347    -16.16150492
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  H     12.33719184      8.42574890    -15.94812758
          69
 Energy    -251.67934885014662     
  O      0.93010276     -0.24552115      5.04755589
  H     -0.04084669     -0.28479201      5.05820394
  H     -2.77579463      2.88471118      0.13027946
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  H     -1.85174007      0.04235503      3.94238662
  O     -0.50300991      0.09139731     -1.27901110
  H      1.69221832     -1.79624971     -2.54393982
  H     -2.01247088      0.82674135      5.26740551
  O      1.59476815     -3.47176814     -1.59765719
  H      0.93852011     -0.45661026     -2.46922885
  H      0.51927828      2.01381227      1.34650118
  O      3.15248435     -2.39555203      0.35604067
  H      0.15185349      0.34407898     -0.61359162
  H      0.10298204      2.61879181      2.72494320
  O     -3.83913464      2.78618499      3.42745819
  H     -0.73166228     -0.83413292     -1.10980859
  H     -2.96941386      1.87429825     -2.26035015
  O     -3.27299040     -3.62485162      2.66573685
  H      1.94987271     -4.30810358     -1.88633929
  H     -1.95539923      1.11155480     -1.37918867
  O      0.45256875      2.57347855      4.47684015
  H      2.16044648     -3.16224281     -0.86748766
  H     -1.25417290      0.99447737      2.01232838
  O      3.68868010      0.03508278     -1.07750647
  H      3.50292686     -1.59679532     -0.05805852
  H     -2.55122242      0.20672362      1.63524935
  O     -5.49850745      0.51173421      2.83340734
  H      2.75365256     -2.11223865      1.18880769
  H     -0.12521017     -3.01148484     -1.06675350
  O     -4.11313412     -1.56762805      4.20953462
  H     -4.45738195      2.06267398      3.28043826
  H     -0.82469023     -2.59713333      0.25528862
  O     -2.67640862      3.34537673      0.96933090
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  H      1.56069141     -0.94275421      3.39719189
  O     -1.83009572     -0.05219320      4.90844563
  H     -3.62185532     -2.91739406      3.23754199
  H      0.83911370     -1.84058281      2.37340468
  O     -0.18677657      2.48118443      1.81104955
  H     -3.57192753     -4.45028745      3.03706723
  H     -2.79692767      2.75544080      4.77896759
  O     -2.79234992      1.60598531     -1.36235070
  H      0.75206151      1.68885382      4.71539398
  H     -2.53847444      3.19775339      6.23894887
  O     -1.74027547      0.17253106      2.15678292
  H     -0.40802782      2.68888888      4.90140865
  H      2.32650903      0.62039023      0.05624102
  O     -0.92201715     -2.60149987     -0.70894180
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  H      1.56763272      0.02569799      1.27203637
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  H      3.07171658     -0.24189627     -1.77865808
  H     -1.13867127     -1.47782534      2.06757037
  O     -2.20026851      2.64199382      5.54284882
  H     -5.06790644      0.36223867      1.97325292
  H     -1.57150087     -2.94135211      2.34109718
  O      1.52208053      0.70230583      0.58196253
  H     -6.43304245      0.59648714      2.66103288
  H     -3.61096767     -3.03683021      0.86089500
  O     -0.82964468     -2.39890144      2.04801140
  H     -3.37168330     -1.11580177      4.63223399
  H     -2.79557074     -2.69464012     -0.40450506
  O     -3.66446422     -2.59210634      0.00556916
  H     -4.65769947     -0.87508896      3.81486527
  H     -3.99719019     -0.88830291      0.30773105
  O     -4.07196576      0.04198873      0.57172670
  H     -1.75199057      3.20956229      1.22595151
  H     -3.76051872      0.59028734     -0.15814222
          69
 Energy    -251.66883493578891     
  O     12.51958802     11.16344656    -15.19800846
  H     12.71232569     10.41774809    -15.78569049
  H     15.05859146      5.67304033    -14.66350668
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  O     17.70786434     10.14549209    -11.89185478
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  H     14.65455444      6.67820688    -12.37992447
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  H     10.31464888     10.59885936    -13.03815920
  O     14.75561917      9.65391650     -8.78392255
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  H     17.54650160      7.00486391    -10.35183305
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  H     16.26434710      9.88068214    -15.39848801
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  H     12.19019585      7.20193785    -12.64446055
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  H     18.68349437     10.23515623    -13.41260836
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  H     13.75654693      6.99450342    -10.34608726
  H     16.46276942      9.94674480     -8.98050631
  O     17.28987467      7.12430748     -9.42725424
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  H     17.78263000     10.47321326     -8.36930810
  O     11.67357251      7.41265650    -13.43204446
  H     15.11384422     10.20638142    -13.30709342
  H     16.20117864      8.03813610    -17.62511228
  O     19.08814894     10.22667119    -14.29596017
  H     17.42008981      5.85058371    -17.45559602
  H     16.19236691      9.55795612    -17.41490321
  O     17.79332314      7.31600007    -12.16963352
  H     16.27598458      6.12653216    -16.45479396
  H     12.43506252     10.18070600    -11.65814061
  O     17.42740625      9.99186374     -9.11173048
  H     15.62919333      6.81406533     -8.98738716
  H     13.94442355     10.49286545    -11.61809571
  O     15.73276827      8.84574095    -17.87598404
  H     14.59434293      6.13749167     -8.05642580
  H     15.23719645     13.42429024    -15.51120091
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  H     18.89945596      8.30676751    -14.77814266
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  O     15.04938891     12.58225927    -15.10486475
  H     18.17848371      7.13107800    -15.48873460
  H     12.89620967      8.02438975    -16.50742917
  O     13.30512785      8.89530365    -16.57958595
  H     13.98531869      5.71284864    -15.76867055
  H     14.07069309      8.83394044    -17.17097023
          69
 Energy    -251.64483602666320     
  O     14.77646310      9.37762111    -10.19771882
  H     14.71957630     10.10488876    -10.83373463
  H     12.04965175      8.15158440    -10.80648480
  O     14.01413542     11.96383405    -15.70900058
  H     13.87778430      9.08321151    -10.00458066
  H     18.00684046      6.43031589    -15.18246372
  O     17.56340334     10.77680926    -12.82890050
  H     14.05915721     12.62673095    -15.00867559
  H     18.42652275      7.91623483    -15.14857427
  O     16.25966489      5.72140110     -8.80929349
  H     13.63453234     11.17485323    -15.30152230
  H     15.55551734     13.63245492    -13.72924401
  O     17.18576904     13.20617388    -14.22127232
  H     18.09879463     10.33387393    -12.16093138
  H     14.43909604     14.59111296    -13.24550883
  O     15.71595640      7.61067401    -12.19291184
  H     17.62195347     10.26742493    -13.65002663
  H     13.93443916      9.03447111    -14.54803714
  O     14.86518141     11.15217788    -12.28835437
  H     15.31610161      5.78378015     -9.04175041
  H     13.83349470     10.14755316    -13.47029817
  O     18.44857564      6.95927473    -12.16355472
  H     16.30269883      5.27433388     -7.96758519
  H     15.62122316     11.84590942    -16.38943867
  O     19.00524589      9.37382194    -10.83415899
  H     17.10844745     12.83886549    -15.11089056
  H     16.59047346     12.11712740    -17.56477273
  O     16.39313276      5.34978358    -15.51674579
  H     17.47061624     12.47099159    -13.66132224
  H     12.50820111      6.96221465    -12.62345238
  O     15.81816540      3.73571569    -13.31629040
  H     16.64879042      7.38702351    -12.08208538
  H     12.34425148      8.42555423    -13.11890463
  O     12.20506124      8.31936602     -9.85854574
  H     15.44693006      8.19202185    -11.47197796
  H     13.12106750      6.66706660     -9.52073200
  O     18.70429310      7.02744937    -14.88754987
  H     15.80629653     11.00058527    -12.46448863
  H     13.63582316      5.62018622    -10.52041709
  O     14.61250823     13.68626492    -13.48886774
  H     14.67416396     12.05653501    -12.56347264
  H     14.32040632      4.84705542    -12.75463729
  O     13.33021813      9.68025920    -14.15317341
  H     18.81306316      7.74913554    -11.74918503
  H     14.51213115      6.29179272    -12.27214214
  O     16.55716291     11.82165090    -16.65899311
  H     18.65422590      6.98680697    -13.11006462
  H     16.93335722      4.91921205    -10.38711637
  O     12.00193426      7.77440358    -12.49352871
  H     19.77726535      9.67689531    -10.36409832
  H     17.83325788      5.37062664    -11.54957671
  O     13.66600170      5.87456747     -9.58823064
  H     18.36856704      9.06347525    -10.16353170
  H     15.43242043      7.82740311    -13.91211031
  O     13.84395336      5.59588132    -12.38372203
  H     16.33554301      4.81094427    -16.30260924
  H     15.52780862      7.00255149    -15.21537084
  O     17.27551197      4.64031115    -11.24454388
  H     16.20819729      4.76452009    -14.76540590
  H     16.30182133      8.85517798     -9.35810107
  O     15.28574625      7.86973529    -14.87192773
  H     15.76170666      2.78587491    -13.25543167
  H     16.93527308      7.49961746     -8.98844268
  O     17.14236226      8.43024068     -9.13382712
  H     16.35606395      4.03083068    -12.55768443
  H     17.23171932     10.27939609    -15.87195315
  O     17.45463485      9.52296986    -15.31569951
  H     11.37498398      8.60578107     -9.48856705
  H     16.65059354      8.98790110    -15.23549455
          69
 Energy    -251.62949694691918     
  O     13.93546918      8.91254109    -15.27000133
  H     13.35835213      8.25082578    -14.86255015
  H     11.36893010      7.16354647    -10.77043435
  O     12.05476063      9.90157983    -11.49719197
  H     13.87732544      9.68547693    -14.69481067
  H     17.08689405      4.65311595    -13.39852327
  O     14.85624093      6.05680437     -9.74898629
  H     12.32638641      9.89104973    -10.57097414
  H     16.62030974      4.28804536    -11.98387229
  O     12.74688616      2.42981269    -10.15289240
  H     11.51700058      9.11074107    -11.62437938
  H     15.25261247      8.49163264    -11.83982018
  O     12.91461646      9.65081779     -8.78228883
  H     14.96122316      5.21644361    -10.21686960
  H     14.95729806      7.08106704    -11.25036343
  O     13.76660067     10.99137080    -13.28603772
  H     15.70062708      6.32056182     -9.36276700
  H     17.88921283      7.03595209     -8.22612108
  O     14.90497324      3.79247588    -11.31175281
  H     12.18270795      3.12460913     -9.76793506
  H     17.69354235      7.18012512     -9.75481580
  O     11.52012240      3.13313600    -12.66330272
  H     12.63194145      1.65239413     -9.61334184
  H     17.49988368      8.54773685    -13.92460304
  O     16.00924787     10.20659722    -11.79236393
  H     12.71036560     10.24806035     -8.06774235
  H     18.80042767      9.38542151    -13.93965640
  O     11.09330837      4.40623684     -9.29538922
  H     13.88550771      9.62638223     -8.85862844
  H     13.21417456      6.59312354     -9.37192404
  O      9.58978454      4.80060587    -11.71982887
  H     13.44349433     11.86212431    -13.50326043
  H     12.42808591      7.85068868     -8.93999291
  O     10.85424433      7.30861318    -11.57856933
  H     13.12041975     10.60226380    -12.66817690
  H     15.82480149      9.92256793     -9.98797140
  O     17.33350029      4.72130448    -12.46964523
  H     14.49997229      4.03306340    -12.15812601
  H     16.17778349      8.82207936     -8.96094231
  O     14.96777182      7.59797357    -12.06395710
  H     14.26752836      3.22414167    -10.86115790
  H     18.37071210      7.71652137    -11.98997539
  O     17.23787705      7.23044659     -8.89413004
  H     11.92377845      2.74492984    -11.87747035
  H     18.06305897      6.21189301    -11.75180900
  O     18.08961624      9.09124000    -13.37563533
  H     12.24997504      3.49587282    -13.18235090
  H     11.98686531      7.08232180    -12.99359429
  O     12.31938129      6.93461340     -9.22132105
  H     16.77154021      9.98218912    -12.34029509
  H     13.51297715      7.27514344    -13.03176502
  O     15.59619995      9.57542640     -9.11444826
  H     15.32288938     10.58000079    -12.36215671
  H     15.46829448      8.03751201    -14.97245530
  O     18.36645210      7.02607629    -11.32093661
  H     11.47127733      5.27694823     -9.11319105
  H     15.85655492      7.38962563    -13.62699041
  O     12.75495433      6.99991652    -13.57203030
  H     10.45839126      4.53875542    -10.00995333
  H     16.24356770      5.81477837    -15.04100914
  O     16.16380280      7.51984707    -14.53872067
  H     10.24363271      4.20924601    -12.13412042
  H     16.56351008      4.64573182    -16.00298914
  O     16.21908792      4.84738718    -15.13684985
  H      8.72943116      4.48237674    -11.97929660
  H     13.35902584      5.32050422    -13.78493586
  O     13.75153970      4.43441821    -13.78663338
  H     10.28877746      6.53250819    -11.67552837
  H     14.53039266      4.47020147    -14.35336858
          69
 Energy    -251.62912477949538     
  O     -0.27792830      3.43929655      6.19020756
  H     -0.52576588      3.89337668      5.36766103
  H     -1.36017662      3.97305626     -2.55187726
  O     -0.69028980      3.02140166      0.49049721
  H     -0.55270557      4.00472821      6.90787458
  H     -0.93585539      1.56781045     -2.30198620
  O      2.12163955      2.28170169     -1.56481816
  H     -0.95209649      2.78025651     -0.40551629
  H     -2.35466375      1.92261019     -1.73398767
  O      0.59898559     -0.20683638      2.50696722
  H      0.17579873      2.62864361      0.65579078
  H     -1.33814722     -0.96035228      0.20978529
  O     -0.90180324      4.49698461      3.73009853
  H      1.59131589      1.56781386     -1.93516264
  H      0.07856469     -0.82035359      0.78975441
  O      1.43664025      4.95855381     -1.49829251
  H      2.16965488      2.09889658     -0.61557322
  H     -4.02261436      4.40346912      0.22461814
  O     -2.91593450      5.58724605     -0.43137297
  H     -0.31467560     -0.02129213      2.76426335
  H     -5.46588103      4.07158299      0.66787220
  O      2.27335440      2.57400554      5.24378817
  H      1.09919977     -0.29189706      3.32829824
  H     -1.92482270      2.78726959      1.70611352
  O     -0.84606718      0.64154761      5.74083478
  H     -1.55687792      3.85295604      3.42380964
  H     -3.41289262      3.10691212      1.95829504
  O      2.07799418      6.04701827      0.86830506
  H     -0.87101465      5.15901654      3.02620420
  H      0.47052195     -0.47379035     -3.01694976
  O     -2.06627036      0.27886914      3.31503013
  H      1.71248988      4.03524480     -1.60478444
  H      0.07660340     -0.24009491     -1.53988346
  O     -1.24087113      4.93424939     -2.65077405
  H      0.56244959      5.03296091     -1.89384896
  H     -3.62986293     -1.55233942      1.15862416
  O     -1.53853232      2.29492107     -2.10322387
  H     -2.24357547      5.84969929      0.21116136
  H     -2.77208839     -0.48877601      1.87793295
  O     -0.40536601     -0.95029311     -0.03526680
  H     -2.43163007      5.43909151     -1.25303558
  H     -3.56671463      0.65413028     -0.15130076
  O     -4.58076208      3.71900718      0.63603061
  H      1.49102062      2.89862654      5.70780557
  H     -4.10438980      2.10388087     -0.28710195
  O     -2.61391467      2.78620508      2.39193754
  H      2.34379924      3.12024750      4.45041804
  H      2.03178963      4.79348184      2.26357199
  O      0.29396362      0.20966194     -2.37631690
  H      0.04386465      0.28876121      5.61677069
  H      0.93006254      4.19813621      3.17922744
  O     -3.07466647     -0.79135773      1.00523586
  H     -0.72829273      1.57110612      5.97067256
  H      1.43685943      1.15439779      1.65283667
  O     -3.72254736      1.36814728     -0.78107168
  H      2.70650384      6.75018143      0.73217578
  H      1.93072630      2.62491728      1.82507252
  O      1.85366042      4.10073578      2.91330150
  H      1.90362731      5.65386408     -0.00794561
  H      2.08971137      0.84578556      5.08836009
  O      1.78023430      1.92318865      1.17818594
  H     -1.76050062      0.32948303      4.23201127
  H      2.52130571     -0.58922885      5.47472649
  O      1.84633757     -0.09481415      5.01798382
  H     -2.32417813      1.17535128      3.05231497
  H      0.20358016      6.06598037      1.12580046
  O     -0.68919507      5.73010197      1.26667295
  H     -1.34836192      5.12891327     -3.57859452
  H     -0.68044737      4.81985264      0.92737960
          69
 Energy    -251.62685161205491     
  O     17.33613794      6.10085566     -9.11773337
  H     16.80875445      5.41109086     -9.54510607
  H     16.40714542      6.86583825    -16.57874504
  O     17.36962229     10.54162695    -13.90556920
  H     16.71184674      6.61890168     -8.59675166
  H     17.07977435      7.50386890    -14.55406468
  O     13.02180597      7.19975127    -13.04419097
  H     17.94145528     11.27174943    -14.12688908
  H     17.02813127      8.99975349    -14.91426244
  O     13.01808112      4.30752461    -16.00965327
  H     17.65350970     10.21823188    -13.03120833
  H     14.14698501      4.35684310    -13.26661118
  O     14.55459904     10.72477459    -13.48263076
  H     13.83125827      7.29596886    -12.51638795
  H     12.93280506      4.31882039    -14.21457614
  O     15.75262451      9.42730528     -9.89810795
  H     12.91849214      6.25136358    -13.18675413
  H     15.49085587      7.98700720    -11.00510757
  O     18.05474040      9.62889082    -11.45749656
  H     13.91188256      3.96312310    -16.13148286
  H     15.34939373      6.42877516    -11.07526171
  O     12.79812137      4.10698312    -10.57770377
  H     13.00112869      5.15451952    -16.47177808
  H     20.02463903      6.81296356    -10.62065044
  O     15.83003069      3.63774651    -16.13387815
  H     15.51042549     10.75109122    -13.61373552
  H     18.53042387      6.71315276    -10.23879178
  O     15.22153807      7.59014936     -7.85945439
  H     14.21704250     10.10493032    -14.13968933
  H     12.44454369      9.33454764    -10.79740880
  O     13.28956953      6.87165957    -17.30185238
  H     14.98469637      9.96491260    -10.13422594
  H     12.15088052      8.06868444    -11.61995793
  O     16.05138956      6.15072528    -17.12189874
  H     15.54967815      8.93044511     -9.09496290
  H     12.62118649      7.25857801     -9.61259783
  O     16.75631589      8.12609124    -15.22174120
  H     17.30940556      9.65677499    -10.84141711
  H     12.87448631      5.73659864     -9.52404039
  O     13.18141488      4.41871026    -13.28419564
  H     18.51649000      8.80214544    -11.27744871
  H     13.57331853      8.06735581    -14.48006564
  O     15.33063457      7.24144131    -11.59640017
  H     12.80383716      4.18787011    -11.54635744
  H     14.92218162      8.36613270    -15.21337022
  O     19.14730136      7.03362244    -10.92125477
  H     12.21675262      3.37991234    -10.36903512
  H     13.24372084     11.73018727    -10.80769727
  O     11.98857433      8.48560114    -10.76299988
  H     15.98883980      4.52498287    -16.50426822
  H     13.91040838     10.83372042    -11.87723279
  O     13.05500685      6.57201274     -9.08276714
  H     16.25227361      3.01557862    -16.72014832
  H     18.20244073      6.58955126    -12.50143801
  O     13.96896500      8.53510446    -15.23259824
  H     15.05151188      7.65182057     -6.92359178
  H     16.69469677      6.85293806    -12.63914268
  O     13.59593433     10.85645387    -10.95518590
  H     14.42905781      7.18878633     -8.26236910
  H     14.66887581      4.29106386    -10.46120607
  O     17.46403710      6.49596033    -13.11387319
  H     13.44008221      7.53034455    -16.60275146
  H     15.81204284      4.24129154    -11.50740697
  O     15.58675443      4.54470355    -10.61761423
  H     12.75451348      7.29624217    -17.96746710
  H     15.98509459      3.85210871    -14.29518783
  O     15.99276398      4.15835481    -13.37928924
  H     15.14472776      6.40454904    -17.33625653
  H     16.58047988      4.92755370    -13.35833825
          69
 Energy    -251.62642683253313     
  O     11.81909186     10.60225484    -15.12851480
  H     11.39929771      9.87124215    -14.65992173
  H     16.41890047     12.03839279    -14.35501885
  O     16.07140767      6.58813884    -13.53331799
  H     12.36342867     10.20377983    -15.82172608
  H     15.99129015      9.18707010    -14.80429764
  O     16.46140312     10.06338452    -10.81673418
  H     15.63189263      7.38358136    -13.87366080
  H     14.49433957      9.08993192    -15.16866679
  O     13.81076477      6.59176766    -17.12246379
  H     16.75926633      6.91140553    -12.93677093
  H     11.28506283      8.34305304    -12.86326412
  O     13.45704107      7.59848264     -8.94785174
  H     15.60035464     10.17930453    -11.24560049
  H      9.85467790      8.23142613    -13.43705985
  O     13.75073322      5.82423641    -12.31644232
  H     16.28198601      9.76918338     -9.91572044
  H     16.65394968      7.30048158     -9.09889200
  O     14.13176666     10.29157315    -12.25612874
  H     13.32464684      6.45397527    -16.28874376
  H     17.37767395      6.86587589    -10.38577008
  O     17.53465683      9.05443760    -15.95899112
  H     13.43815436      5.98754886    -17.75924623
  H     12.85027856      6.00783972    -13.96669790
  O     14.59593645      5.08907719     -9.73767338
  H     13.72569236      6.68622909     -9.11589037
  H     11.82373228      7.01056287    -14.52584054
  O     19.30461095      9.28063908    -13.90877002
  H     12.98257395      7.88107520     -9.73969919
  H     17.24640477     11.10867315    -12.22123281
  O     16.56185715      6.52011161    -16.31793028
  H     14.60786340      6.00339790    -12.73338374
  H     18.25659788     10.80990326    -13.33652319
  O     15.78428514     12.26548885    -15.05096055
  H     13.94855781      5.43516764    -11.45629459
  H     18.50117571      8.28367295    -12.52102791
  O     15.11791212      8.99996655    -14.43780182
  H     14.51937378      9.83765757    -13.02236897
  H     17.38515635      8.65626796    -11.52099275
  O     10.76520960      8.37422493    -13.68418846
  H     13.78901477     11.12797611    -12.59201525
  H     15.80359525      9.14352407     -7.45105329
  O     16.89948134      6.52508931     -9.61932146
  H     17.25583209      8.15585292    -16.19777780
  H     14.91623802      8.47247034     -8.52649955
  O     12.46644880      6.34112359    -14.78778543
  H     17.12005024      9.67402150    -16.57067887
  H     15.89426087     11.45925739    -16.55049136
  O     17.55834881     11.42244028    -13.07887830
  H     15.46394017      5.53191546     -9.72196760
  H     16.16723011     11.51957036    -18.07512571
  O     17.88339713      7.90763586    -11.88279317
  H     14.70138747      4.26182338     -9.27586150
  H     13.05281839      8.95925398    -11.74029169
  O     15.79497513      8.85840527     -8.36070825
  H     18.73510480      9.18504442    -14.69236641
  H     12.95224513      7.39750825    -11.82475922
  O     15.96218601     10.92068539    -17.36278466
  H     20.20419234      9.30553334    -14.22407708
  H     12.66610324     11.84349744    -14.27068411
  O     12.48213915      8.19936956    -11.55051602
  H     15.66124552      6.48450319    -16.66285954
  H     12.70673940     13.26196856    -13.64959647
  O     13.21492271     12.46262334    -13.75486124
  H     16.48871703      6.30672343    -15.37761043
  H     13.73050142      8.44998968    -17.08924007
  O     13.66100834      9.37392602    -16.81551649
  H     14.93543840     12.40513160    -14.61747156
  H     14.42173635      9.85979323    -17.16043949
          69
 Energy    -251.62526126685884     
  O     15.74379043     11.78121265    -11.57130652
  H     16.01470597     11.34283916    -10.75735496
  H     17.52052205      3.98390881    -12.48035647
  O     14.92354588      6.66664919    -14.90257829
  H     16.36075353     11.47622686    -12.25200432
  H     18.52569259      9.99118735    -11.93074803
  O     14.84939211      5.52564523    -10.60269226
  H     14.81740152      5.84023045    -14.41399744
  H     18.87023129      8.60656455    -11.35158543
  O     18.61163111      6.86795512    -12.03242386
  H     14.08732006      7.14710585    -14.82908477
  H     15.82112708      7.58976583    -13.59619757
  O     16.64060196     10.28675233    -16.10607911
  H     14.86260360      6.48399028    -10.47792620
  H     17.03878390      7.59154436    -12.60667140
  O     10.63973865      7.20645360    -11.22008921
  H     13.93026060      5.23913362    -10.49051580
  H     12.87974907     12.49002580    -12.65248604
  O     12.61242472      8.07817449    -14.41868722
  H     18.87235668      6.52841718    -12.89982419
  H     14.16473001     11.73006719    -12.24223421
  O     14.91523876      8.30890544    -10.50875260
  H     18.31458613      6.11886015    -11.50010457
  H     13.04333372      3.88483992    -13.35222193
  O     17.30574622      7.47909255    -16.03592100
  H     16.67380843     10.81550642    -16.89889191
  H     11.98310066      2.78948183    -13.60484388
  O     10.74770898      6.13095498    -13.89381009
  H     15.71671622     10.31034769    -15.79704265
  H     13.85788856     10.88851339    -14.36697019
  O     18.97293892      5.88519779    -14.62072208
  H     11.27485162      7.92541865    -11.37448953
  H     13.52800249      9.58196301    -15.09623908
  O     17.36353917      3.81429961    -13.41796271
  H      9.90452506      7.58799128    -10.74678204
  H     16.52928175      4.94042061    -10.57445001
  O     18.77087871      9.53764252    -11.11301818
  H     12.65445477      8.41586479    -13.51446828
  H     17.69463233      4.19216782     -9.88914657
  O     16.22286229      8.05020095    -12.84988885
  H     11.91267538      7.40939190    -14.41631173
  H     14.74298298      4.88514252    -12.36024901
  O     13.29538244     11.63221700    -12.67191191
  H     15.45380117      8.90573416     -9.97657064
  H     15.60741552      4.11141850    -13.39421302
  O     12.09576646      3.67911361    -13.28004672
  H     15.35268611      8.25548087    -11.37581754
  H     12.05257246      4.35744409    -11.47265008
  O     14.09288627     10.36403789    -15.14099625
  H     17.18920514      8.43285163    -16.10813596
  H     11.63800491      5.65435075    -10.75774580
  O     17.46244466      4.68489137    -10.67218870
  H     16.43129131      7.12825307    -15.81083716
  H     13.35292413      8.82304133    -11.24422243
  O     14.71959954      4.46163121    -13.22898610
  H     10.55799347      6.45192062    -13.00319295
  H     12.71600606     10.00342220    -12.02784498
  O     12.19896767      4.87345063    -10.67025210
  H     11.14244437      5.25793711    -13.77636672
  H     17.51414041      9.92142375     -9.95491903
  O     12.57622857      9.08653223    -11.75837925
  H     19.74423932      5.68970026    -15.14623223
  H     17.06894564     10.44639097     -8.57003688
  O     16.73713844     10.14873212     -9.41260581
  H     18.41186605      6.47274257    -15.15822211
  H     16.94416621      9.66245073    -13.20974615
  O     17.40697259     10.49328333    -13.40367934
  H     17.91357390      4.44330254    -13.90074825
  H     17.33091002     10.59674124    -14.35823670
          69
 Ord_Energy   -251.624451    
 O   -2.65022135       1.18649900       4.74384022    
 H   -2.64012194      0.451414883       4.11954880    
 H   -2.23889637       1.93686116       4.29169989    
 O    4.21666431     -0.642531395       3.17765403    
 H    5.13602018     -0.375610799       3.30341744    
 H    3.82450557     -0.684189975       4.06230116    
 O   0.863604188       1.03354251       3.46793842    
 H    1.64631486       1.31926715       2.98079133    
 H   0.497648299      0.292038083       2.97164989    
 O    1.25117993       1.10443830       6.14780045    
 H   0.407470852      0.935918629       6.58283997    
 H    1.07967067       1.04332674       5.19322729    
 O   -1.04607546       3.05951619       3.46469855    
 H  -0.391618371       2.34508848       3.47271657    
 H  -0.622074246       3.80744910       3.91057372    
 O    2.70037842       3.44371533       5.68451262    
 H    3.53253555       3.38100910       6.17026901    
 H    2.18110108       2.66543818       5.92987680    
 O   -2.20272802E-02 -0.896443367       1.63892317    
 H   0.711144626      -1.49810553       1.84776616    
 H   0.276843071     -0.283226669      0.956338882    
 O    3.09559822       1.47741425       1.83296371    
 H    2.54477525       1.24792218       1.07539511    
 H    3.50789666      0.676748157       2.18940258    
 O    1.03724098       1.10072637      -7.16176108E-02
 H   0.681655228       1.95223105      0.244848683    
 H    1.04255176       1.14117384      -1.02410161    
 O    2.09028554      -2.39020586       2.48151779    
 H    2.91196442      -1.89172804       2.57405639    
 H    1.90464449      -2.74787641       3.35912800    
 O    3.71785426       3.79813218       3.10797453    
 H    3.55112576       2.99138117       2.59614372    
 H    3.34450006       3.66320395       3.99189591    
 O    5.57238579      0.331443489       6.48486567    
 H    4.75737667     -0.173030972       6.35628510    
 H    6.07095194      0.239523605       5.66415834    
 O    6.73266220      0.402326286       3.84446597    
 H    6.59310818       1.36520684       3.89283109    
 H    7.63645840      0.268868834       3.57221198    
 O    1.88761020       5.47476768       1.96450794    
 H    2.26385880       6.29159260       1.64676046    
 H    2.62299752       4.94760513       2.32081175    
 O  -0.859184980      -1.92522466       5.43173885    
 H   -1.01379180      -1.19924033       6.04789305    
 H   -1.40594423      -1.74139559       4.65857506    
 O    1.54825628      -3.11061001       5.19195890    
 H   0.665681005      -2.71076179       5.29632998    
 H    1.50324559      -3.98264503       5.57461071    
 O   -2.31367373      -1.14974868       3.09637403    
 H   -2.99563289      -1.61925721       2.62239408    
 H   -1.55223787      -1.08283877       2.49571705    
 O   0.583549738       5.02315187       4.52504635    
 H    1.29102981       4.60433960       5.03130245    
 H   0.985516071       5.32199144       3.70036125    
 O    5.22562504       2.99717426       6.86279964    
 H    5.61981964       3.27572465       7.68495321    
 H    5.33581829       2.03051209       6.81110811    
 O   -1.34177017      0.429059088       6.97996235    
 H   -1.87500644      0.568169653       7.75749302    
 H   -1.85692525      0.762387693       6.22207975    
 O   0.142412797       3.44766331      0.932950318    
 H   0.734970093       4.17557144       1.15610921    
 H  -0.442460567       3.35409904       1.69646478    
 O    3.15340185     -0.874916553       5.76568747    
 H    2.50699735     -0.192610934       5.99602127    
 H    2.66440392      -1.70066762       5.66394615    
 O    6.22331190       3.05227876       4.17395782    
 H    6.00053167       3.15812016       5.10731268    
 H    5.46808386       3.40833664       3.68834043    
          69
 Energy    -251.62444543495977     
  O     15.63788257     12.42163475    -13.10527175
  H     16.23935453     12.30085944    -12.36079366
  H     18.51861662     11.23810036    -14.02321128
  O     14.81608007      6.19203028    -13.93359137
  H     16.15945061     12.25857305    -13.90019212
  H     15.82671981      7.65932352    -13.41532617
  O     16.46168514      6.84971361     -9.96919948
  H     15.07061821      6.31837741    -14.85512793
  H     16.02336148      9.01280416    -14.12535456
  O     19.00874052      8.25356518    -13.23306350
  H     13.98617772      6.65974202    -13.75862682
  H     13.96875524     12.01299484    -13.01782143
  O     12.26660468      7.66861649     -9.41609388
  H     15.79898769      6.63481776     -9.30059705
  H     12.50779619     12.51903555    -12.93931535
  O     12.60278831      7.59683967    -13.10473647
  H     16.34918808      7.78829550    -10.17408087
  H     14.31405588      4.36570010    -10.89845362
  O     16.03484087      9.48108947    -10.79424147
  H     18.04663166      8.36395625    -13.26381313
  H     13.77004576      4.87735875     -9.55612360
  O     16.09637654      6.76218140    -16.39162459
  H     19.18431548      7.70660645    -12.45332322
  H     12.97703607     10.43809603    -14.36887522
  O     11.39397168      5.74428137    -11.38038081
  H     12.55096535      8.42113932     -9.95285786
  H     12.76289374      8.91867222    -14.46642249
  O     18.32400024      6.14779250    -14.98513764
  H     11.81652855      7.06817906    -10.02229895
  H     18.27638740      6.57703820    -10.59569672
  O     18.34631851      4.24099942    -12.84443244
  H     12.08408927      6.94378665    -12.61816552
  H     18.95590616      5.65828483    -11.63199444
  O     19.01688433     11.03160876    -13.22366075
  H     12.88602664      8.25567288    -12.45370743
  H     15.47385832      5.25321765    -12.60392849
  O     16.23942162      8.52670781    -13.32093975
  H     16.10955820      9.18470104    -11.71670078
  H     16.09150616      5.55568296    -11.20065008
  O     13.03812597     11.72746446    -12.97185909
  H     16.56951575     10.28041118    -10.72560493
  H     13.56198281      6.80341980     -8.62700419
  O     13.51765625      4.39375322    -10.35262222
  H     16.10383407      6.29606841    -17.22323325
  H     14.17543016      6.19609146     -7.34261706
  O     13.05678793      9.68746251    -14.97118713
  H     16.92722717      6.53513705    -15.93359577
  H     17.40952106     12.16060775    -16.16200288
  O     19.07739975      6.46952698    -11.12394627
  H     12.13008000      5.19468501    -11.05627925
  H     16.66681963     10.90757800    -15.64674379
  O     15.88350665      4.84484839    -11.82544311
  H     10.61889658      5.18931320    -11.38738162
  H     14.23435089      9.56644276    -10.97700318
  O     14.27841270      6.23586400     -8.28957443
  H     18.35550269      5.41539397    -14.35794205
  H     13.12368550     10.34522159    -11.73146424
  O     17.20834199     11.66642188    -15.37113568
  H     18.71712378      6.89743097    -14.51900298
  H     18.07358571     12.38207697    -10.51223715
  O     13.29559322      9.55069866    -11.21135249
  H     18.59105697      3.32562528    -12.73523838
  H     18.16279624     11.53783277    -11.80639114
  O     17.56710259     11.81337031    -11.08520698
  H     17.45097211      4.33722492    -12.47735939
  H     14.67331326      9.58814513    -15.66147378
  O     15.61803314      9.50763312    -15.87165475
  H     19.18950927     10.07956514    -13.24547872
  H     15.78237235      8.60787631    -16.17940436
          69
 Energy    -251.62178527026799     
  O     11.35463680      9.31269883    -12.17548935
  H     11.36897076      9.28909244    -13.14391909
  H     14.50266027     10.53865706    -14.02844919
  O     15.92164552      6.60345415    -14.78357437
  H     11.84291846     10.10227231    -11.92112005
  H     13.47387656      8.73434228    -14.17091481
  O     17.55056829      9.67578395    -11.93314192
  H     15.70998103      6.03838199    -14.02770451
  H     14.85859352      8.01281052    -14.22416609
  O     12.19927359      6.71079566    -15.97542973
  H     16.75073448      7.06215196    -14.59029260
  H     11.57416854      7.71249322    -11.52244490
  O     17.01626927      6.16993914     -9.51254840
  H     16.63489589      9.61427824    -11.62619945
  H     10.90971953      6.53234676    -10.77898407
  O     15.28039057      5.16012673    -12.53596775
  H     18.08937848      9.22247131    -11.27269039
  H     19.34248192      6.89876301    -11.61664596
  O     14.88003238      9.40059756    -11.24698912
  H     12.32740890      6.16838158    -15.18148880
  H     19.03397561      6.85393550    -13.12348362
  O     15.14675958      9.55050106    -17.26998798
  H     13.01119565      6.65143362    -16.48949301
  H     13.50726846      5.13510643    -13.27762530
  O     17.73849021      4.26172624    -11.53700497
  H     16.08033774      6.35217466     -9.66782094
  H     12.23789246      5.85091754    -12.79978892
  O     14.79719702      6.73091624    -17.24385003
  H     17.23645243      5.41345422    -10.07018525
  H     16.23390924     11.72702587    -14.00916846
  O     17.76324940     10.07693620    -16.19304262
  H     16.08234690      4.71621274    -12.23430201
  H     17.39143811     11.06697840    -13.22016956
  O     14.36871479     11.49719547    -14.10488350
  H     14.99789525      5.73942691    -11.81400727
  H     17.90793423      8.66119455    -13.41677783
  O     14.37708245      8.74612699    -13.82754499
  H     14.67118092      9.06810127    -12.13712416
  H     18.12971724      8.71743185    -14.94965916
  O     11.72029382      6.80496795    -11.20133676
  H     14.31566477     10.17090075    -11.11995739
  H     19.46269707      8.18359513     -9.35564093
  O     19.31552677      6.30681577    -12.37905296
  H     16.03961259      9.69232290    -16.93442284
  H     18.21379072      7.40156437     -9.82806375
  O     12.62734308      5.40766287    -13.56292467
  H     15.02309291      8.59605238    -17.34460210
  H     12.73690065     11.57882293    -17.32831011
  O     17.18891581     11.58062993    -14.01320227
  H     18.34209276      4.93638482    -11.89694471
  H     13.80956041     10.56372642    -16.86418479
  O     18.13589781      8.12311317    -14.18959410
  H     18.22547289      3.44303172    -11.50504288
  H     13.46865259      6.71925804    -10.56420709
  O     18.90785929      8.02278089    -10.11405831
  H     15.23624468      6.59662417    -16.38535512
  H     14.62107210      7.74074820    -10.58903795
  O     13.06940734     11.12206014    -16.56093501
  H     15.10057585      6.03442966    -17.82059210
  H     13.51927293     11.67352939    -12.51097941
  O     14.42069925      6.80751980    -10.42713603
  H     17.58066210     10.68529770    -15.45376509
  H     12.93429736     12.44812842    -11.30830926
  O     13.11204204     11.56980975    -11.63470255
  H     18.42288308     10.49846232    -16.73831760
  H     12.09935137      9.82920624    -15.52416640
  O     11.81313141      9.15053639    -14.90320602
  H     13.90082536     11.61467555    -14.94060709
  H     11.82113066      8.29581371    -15.36513530
          69
 Energy    -251.62038073742173     
  O     -2.49471507      1.84656188      1.48739753
  H     -1.58630462      1.67304703      1.18271865
  H     -2.76094776     -6.73878377      0.37050994
  O     -2.46332402     -0.66770397      6.53185931
  H     -2.70633324      2.73845149      1.22444621
  H      2.54402170     -2.92972688      2.10245449
  O      2.08812812      0.38285088      2.39620705
  H     -2.51838551     -0.07816276      5.76833198
  H      2.72467002     -1.47124826      2.58512538
  O     -2.66863007      0.50208943      3.93720585
  H     -1.60117565     -1.10043772      6.47712799
  H     -0.61892329     -1.60192751      0.76885245
  O      2.20940465     -3.54064683      5.20011109
  H      1.34166884      0.15517115      2.97941945
  H     -0.39657030     -1.50075803      2.31595039
  O     -4.32357173     -2.57355417      5.97546561
  H      2.61140608      1.03090687      2.86307186
  H     -2.56567778     -4.60968340      1.83583349
  O     -0.17468809     -2.24416317      5.85072406
  H     -3.20247289     -0.26680206      3.68805911
  H     -1.86774268     -3.23552160      2.04784361
  O      0.29418020     -5.59900545      4.46883864
  H     -2.66855364      1.09628679      3.17623430
  H      1.20430050     -4.72803304      1.17083369
  O     -0.00187874      1.25339848      0.60234195
  H      3.00968941     -3.80365103      5.64721365
  H      0.74771325     -3.24527546      1.20883081
  O      0.43339432     -6.18467764      1.75580223
  H      2.48119295     -3.12774933      4.36178623
  H     -3.69684364     -2.49973189      2.88073227
  O     -1.76683824     -4.27852597     -1.35981916
  H     -4.98021847     -2.67349892      6.65918676
  H     -4.43903118     -2.01817501      4.14257868
  O     -2.24686748     -5.99649425      0.67622500
  H     -3.71180016     -1.87588248      6.27218508
  H      1.21936066     -3.53146333     -0.80904062
  O      2.88456328     -2.38909728      2.82857087
  H     -0.82565515     -2.91467942      5.59477149
  H      1.60130851     -3.56329024     -2.30860602
  O     -0.59175502     -2.10677875      1.59021613
  H      0.69255899     -2.66323647      5.77842828
  H     -0.03986761     -1.07305209      4.51442255
  O     -2.58223939     -3.80653126      2.36896853
  H     -0.53945848     -5.24186219      4.79700502
  H     -0.95772385     -0.02411840      3.82924005
  O      1.45534567     -3.83099590      0.90012752
  H      0.97408572     -4.96494351      4.72505428
  H     -1.38662436     -1.14861791     -1.27901518
  O     -4.19585374     -1.75362063      3.24740804
  H     -0.09161101      0.57182444     -0.07898972
  H      0.07803487     -1.66040099     -1.34408187
  O      0.91897478     -3.28784329     -1.70264100
  H      0.78050860      1.02222841      1.11489290
  H     -3.47482500     -1.34448349     -0.69674907
  O     -0.08911216     -0.44450133      3.78117050
  H      0.37584454     -6.07610729      2.71740798
  H     -3.72941954     -1.56972398     -2.20453487
  O     -0.48189583     -0.95166874     -1.00167312
  H     -0.47119000     -6.23897566      1.42898293
  H     -2.88839262     -3.76665725      5.47701866
  O     -3.11462847     -1.75997310     -1.50069505
  H     -0.85869266     -4.02061053     -1.55611894
  H     -2.23037668     -4.07632504      4.11698675
  O     -2.08585248     -4.11706500      5.07433902
  H     -2.29293696     -3.47040528     -1.40069435
  H     -3.52100962      0.33452526      0.93496479
  O     -3.97823696     -0.48547766      0.71261019
  H     -2.07893037     -5.43062333     -0.09893683
  H     -4.21169266     -0.90494897      1.54972132
          69
 Energy    -251.61915238547027     
  O     20.22396725      8.09390098     -6.76850687
  H     20.85218223      8.35963060     -7.46580676
  H     17.30161042      8.36173972     -8.18126831
  O     17.65709809      4.97056491    -11.27322318
  H     20.61512948      8.33818413     -5.93456607
  H     21.56505337      9.40425684     -9.50072104
  O     16.86090412      6.58515905    -14.56837333
  H     16.80282746      5.15026828    -11.68625164
  H     21.74816213      7.87622149     -9.37805699
  O     18.06287260      8.69819092    -13.14149722
  H     18.02391367      5.83563417    -11.02707103
  H     15.77956932     11.13879592    -12.06050349
  O     21.64363263      6.22118364    -13.07308456
  H     16.42451528      6.49250710    -15.41137926
  H     16.95797522     10.61410437    -11.20494791
  O     15.27628190      5.85320553    -12.46569382
  H     16.23599044      6.26908110    -13.89312216
  H     18.50683980      5.60761176    -14.10925303
  O     20.84903005      8.97660676    -13.00170153
  H     17.63635780      8.03063060    -13.69339438
  H     18.77599671      4.88903280    -12.78856659
  O     19.83742641      5.46860893     -7.89072297
  H     17.38100137      9.30332367    -12.82441743
  H     11.74996517      7.45383319    -10.30891809
  O     14.77243814      3.61357694     -8.36732153
  H     22.30884462      5.80146549    -13.61199355
  H     13.29436823      7.40815526    -10.33617115
  O     21.16217894      6.35873714    -10.27765199
  H     20.79256787      5.81298889    -13.31234116
  H     16.53690421      6.28550176     -8.42414705
  O     18.66089662      7.45733040    -10.67908617
  H     15.20377270      6.66116197    -11.93785579
  H     15.19437064      6.87804579     -7.92147690
  O     18.06722018      8.93369569     -8.33300178
  H     14.67033618      5.21650511    -12.05899866
  H     15.41369146      7.75305874     -9.93501851
  O     21.78487074      8.70275538     -8.87646176
  H     21.18694315      8.07466856    -13.05142911
  H     15.35908710      8.85153122    -11.05172349
  O     16.22038877     10.34050435    -11.78260266
  H     19.90366147      8.92486340    -13.19780721
  H     21.64312460     11.34198201    -11.08437296
  O     19.20073693      5.15952902    -13.61396607
  H     19.95179069      6.28095328     -7.38371798
  H     21.02879260     10.03823700    -11.64182317
  O     12.50109508      6.92368195    -10.05469212
  H     20.39197358      5.57614230     -8.67398195
  H     17.43744209      4.57385070     -9.54070419
  O     16.03336224      7.10660074     -8.34536881
  H     15.70173583      3.89819472     -8.37497022
  H     18.19727113      4.82570476     -8.21512450
  O     14.96177045      8.02767199    -10.74689526
  H     14.75635781      2.75280747     -7.95597393
  H     13.07153804      6.37366596     -8.29040979
  O     21.05568676     10.62341122    -10.86371912
  H     20.29629265      6.77610011    -10.41169614
  H     13.88657514      5.19719774     -7.71756728
  O     17.32475228      4.61647101     -8.57959935
  H     21.50133648      6.19694065    -11.16456732
  H     19.23448951     10.89990480    -10.44112514
  O     13.60822874      6.10450512     -7.53448082
  H     18.50913640      7.96269447    -11.48706559
  H     18.20146056     10.35045006     -9.43263348
  O     18.29981832     10.92730162    -10.20466397
  H     18.47765611      8.02153439     -9.91847425
  H     13.98532664      4.03973500    -10.07229041
  O     13.59742475      4.39804572    -10.88010245
  H     18.75611241      8.67859221     -7.70631600
  H     13.07073848      5.15851574    -10.60261785
          69
 Energy    -251.61602282806632     
  O     -6.07901214      2.12641125     -0.59359371
  H     -5.14614730      1.92506735     -0.41590594
  H      0.57315866      2.12917887      1.61861166
  O     -3.44452901      4.45939265     -2.96194495
  H     -6.54275201      1.89065666      0.21763414
  H     -2.56579265      2.92100732      0.26023480
  O     -6.78489277      1.33105245      2.02087766
  H     -3.61503353      3.68360270     -3.50964674
  H     -2.58880089      4.35047348      0.84995509
  O     -3.02270061     -0.38501460      2.22261845
  H     -2.50948479      4.41720818     -2.73388633
  H      2.51706496     -1.26687929     -0.69261158
  O     -3.79157491      2.01422561     -4.44266102
  H     -7.53115170      1.45771420      2.60055716
  H      1.67791552     -0.15335022     -1.36314336
  O     -2.21498487     -0.55594413     -1.51253045
  H     -6.05527092      1.86360089      2.38539817
  H      2.15043958      1.10207210      0.35335775
  O     -1.33739678      1.33807481     -3.26942309
  H     -2.80653653      0.23348729      2.93146042
  H      2.10421690      2.57647812     -0.08694841
  O     -0.77910317      3.77733864     -2.01543701
  H     -2.18656074     -0.63348939      1.80570029
  H     -5.83726964      1.14231295     -2.14231844
  O     -0.62272654     -0.48825634      0.78748338
  H     -4.40083857      1.48821042     -3.89455269
  H     -5.24986869     -0.25437356     -2.41294566
  O      1.39644763      0.87076393     -2.74235531
  H     -4.14693424      2.01003797     -5.32751598
  H     -1.47341471      1.88968730      3.28084182
  O     -5.49792054     -1.09161415      1.19468815
  H     -1.67335959     -0.66689297     -0.71879549
  H     -1.84820111      1.77741727      4.77681287
  O     -0.33972346      2.08952992      1.93881750
  H     -3.00206795     -1.11185967     -1.44334397
  H     -5.06126938     -2.64035189     -1.51089108
  O     -2.00619547      3.68877369      0.45995897
  H     -1.61613798      0.60643340     -2.69819033
  H     -5.06153023     -1.53393300     -0.43170886
  O      1.84224798     -0.61576609     -0.52130090
  H     -2.10623778      1.56445848     -3.80728450
  H     -3.08267176      0.85640981     -0.66364190
  O      2.08492335      2.00362490      0.69040886
  H     -1.18635629      3.80037391     -1.13707299
  H     -3.46597705      0.89870346      0.82897460
  O     -5.44555090      0.59012015     -2.83326888
  H     -0.98582265      2.91946394     -2.41592347
  H     -4.19885127      6.13761108      1.79582833
  O     -2.21006435      1.72845740      3.89566704
  H     -0.55232240      0.40611813      1.15151638
  H     -4.53164229      5.13116614      0.66631868
  O     -4.73312019     -1.76589463     -1.31869760
  H      0.23676595     -0.67873120      0.38971959
  H     -4.62436257      4.75920314     -1.61249612
  O     -3.46223445      1.42338869      0.01896330
  H      0.49648571      0.97545534     -3.07787051
  H     -5.67497539      3.94052475     -0.82656696
  O     -4.07521092      5.23303379      1.52361261
  H      1.69693112      1.75915029     -2.51311429
  H     -4.50997975      3.67251042      2.49751809
  O     -5.22028470      4.79186468     -0.84990136
  H     -4.66213767     -0.99285104      1.67282479
  H     -3.87046401      2.52951472      3.31975753
  O     -4.69961713      2.83168527      2.93306870
  H     -6.03905932     -0.33943915      1.46196344
  H      0.97658930      3.70358932     -1.84690602
  O      1.92237974      3.49947806     -1.74479612
  H     -0.85471707      2.72912960      1.42538466
  H      2.40335016      4.24399907     -2.09635105
          69
 Energy    -251.61602006124548     
  O     16.30524252      9.89295956    -15.47238708
  H     15.60691340      9.61016572    -16.05715216
  H     18.72594253     12.17356084     -9.60401790
  O     17.32511816     14.75587207    -16.33072224
  H     16.20074334     10.85269725    -15.35061068
  H     21.61897641     16.70321611    -13.06066342
  O     21.08299104      9.28627243    -14.89324137
  H     17.02138650     15.26002443    -17.08012814
  H     20.07970875     16.64545473    -13.13660537
  O     19.60435787     13.81823035    -10.00697179
  H     18.05792196     14.19162535    -16.64457294
  H     21.41774924     11.28757778    -10.70323929
  O     15.22851693     13.07667710    -12.28206838
  H     21.27390501     10.16543506    -14.51992727
  H     20.89640009     12.74374397    -10.71948127
  O     20.67387841      9.67806272    -10.15801552
  H     21.88547693      8.98485938    -15.31209604
  H     16.72827877      9.72843892    -12.21944276
  O     15.98390320     10.69659640    -10.83228456
  H     18.91672375     14.01823598    -10.66075399
  H     16.86468952      9.41822279    -13.75264932
  O     19.00162130     10.44868356    -16.50022765
  H     20.09852764     14.63594544     -9.87361107
  H     19.28783918     12.21738477    -16.84264376
  O     21.14838002     14.20274787    -14.96003251
  H     15.39739003     12.25664557    -11.80060771
  H     20.13930523     13.45109604    -16.41802577
  O     21.15500852     16.16656120    -10.04111058
  H     15.42888257     12.88989994    -13.20858971
  H     23.22529470     15.24467969    -12.85735632
  O     21.34073585     11.74211319    -13.77420139
  H     21.02829637      9.02390555     -9.56188228
  H     24.01169485     16.04712967    -13.92246334
  O     18.35134747     11.28490469     -9.64359218
  H     20.42246931      9.20862782    -10.97377096
  H     18.27999441     15.44276321    -14.83568894
  O     20.81417066     16.98610789    -12.60942669
  H     15.38870995     10.37772184    -10.15837676
  H     18.43110600     15.13495153    -13.32254660
  O     21.59695412     12.16709601    -11.05846788
  H     16.81344334     10.93456253    -10.37927972
  H     22.58620225     15.08307207    -10.73362068
  O     17.31068714      9.36058682    -12.89785377
  H     19.65646330      9.94925399    -15.99831915
  H     22.78342576     13.62409556    -11.18198128
  O     19.39234818     13.17272971    -16.96082971
  H     18.13895553     10.15125891    -16.19330278
  H     20.32455857      8.62378532    -13.29117008
  O     23.14662438     15.70732482    -13.71128510
  H     20.35964965     14.66077760    -14.63528140
  H     18.95166767      8.63347518    -12.58463908
  O     18.85916908     15.56906903    -14.07506233
  H     21.90721737     14.72033643    -14.66304164
  H     18.26023681     10.95817158    -13.09148791
  O     23.14882885     14.51349992    -11.27363333
  H     21.22175808     16.91943320     -9.46009216
  H     19.50904016     11.76836543    -13.54637176
  O     19.89515051      8.47430330    -12.44064406
  H     20.97134847     16.51493749    -10.93230938
  H     17.20050521     12.35764425    -14.40282540
  O     18.57558426     11.84118409    -13.31931588
  H     21.35067692     12.59927095    -14.22277783
  H     16.54727766     13.33303116    -15.40967809
  O     16.37367953     12.55131246    -14.87202094
  H     21.50704517     11.89361489    -12.83331132
  H     16.81536355     13.95460943    -11.97409011
  O     17.77081329     14.09477610    -12.00791783
  H     19.10003131     10.68771159     -9.75975242
  H     18.13312062     13.28139681    -12.39554983
          69
 Energy    -251.61257970876392     
  O     11.39516818      9.62552807    -14.85237510
  H     11.19635202      9.07950830    -14.08232835
  H     18.41066072      9.64811997    -15.43645507
  O     16.41477595      6.92342729    -13.39409358
  H     11.69383211     10.48214650    -14.52217313
  H     15.57045953     12.19266042    -14.99275382
  O     16.60148973     10.82286738    -11.40203963
  H     17.13313349      7.44412787    -13.01114571
  H     14.84765154     11.73376445    -16.28643223
  O     17.06201861     11.90011994    -13.99969447
  H     15.80053303      7.57235751    -13.77171769
  H     15.74641892      9.24199480    -14.99581068
  O     13.54088750      5.93216844    -16.30845900
  H     15.67106010     10.71498475    -11.64812861
  H     14.26491840      8.84663800    -15.13536330
  O     14.58588784      8.32791817     -8.52008868
  H     16.65366565     10.68909792    -10.44797209
  H     11.61051637      8.04312466    -11.93686816
  O     14.57274101      6.03494994    -11.58036075
  H     17.82345204     11.38541674    -14.28878641
  H     10.12922009      7.68710969    -12.19524362
  O     14.04440245     10.38038952    -12.33482359
  H     16.95385372     11.69480236    -13.06252892
  H     18.23028311      7.97955647    -10.66069814
  O     17.06386235      9.11968503    -16.41356790
  H     13.25937780      5.87958541    -15.37711958
  H     17.68450235      8.53807081     -9.33464101
  O     16.02527141      5.93417164     -9.17395427
  H     13.18476520      5.16256882    -16.74472834
  H     13.33163182      5.78528619    -12.97666434
  O     16.37961878      6.46128857    -16.18780646
  H     14.99237817      7.45644045     -8.60809914
  H     12.05267760      6.51473362    -13.43424384
  O     19.06459612      9.97415025    -14.79303904
  H     13.92460888      8.37958269     -9.22193590
  H     17.65730111      9.47931865    -12.04600866
  O     14.74140656     12.26337481    -15.49002780
  H     15.27422288      6.27320597    -12.20626068
  H     18.66794111      9.12225662    -13.15890045
  O     14.96454296      8.99308677    -14.48752778
  H     15.01192623      5.84980806    -10.74177372
  H     16.80425886     10.51667685     -7.87263788
  O     10.95477378      7.87653798    -12.63451508
  H     13.47543764     11.06295493    -12.70911538
  H     15.88496527      9.49828429     -8.58863876
  O     17.98117018      7.72527512     -9.76302148
  H     14.39615715      9.88713016    -13.09395052
  H     14.73738620     10.67197709    -18.63466038
  O     12.73697625      5.90267365    -13.72853617
  H     16.45598607      9.58408143    -17.00160620
  H     14.27092975      9.81159798    -17.43610983
  O     18.23044613      8.77009160    -12.37470610
  H     16.86465194      8.17095759    -16.45804401
  H     13.40042761      9.04979189    -11.34661551
  O     16.67746471     10.05416478     -8.69655159
  H     16.37439674      5.23266175     -8.63102720
  H     13.58547097      7.50881725    -11.14426100
  O     14.95985194     10.42902023    -17.73975460
  H     16.77682485      6.50887680     -9.40757007
  H     12.13695359     12.95046068    -13.87736477
  O     13.04007491      8.27048393    -10.89629669
  H     15.45178500      6.22783259    -16.31124491
  H     13.31484411     12.18823443    -14.53022313
  O     12.53930610     12.08937181    -13.94635673
  H     16.53551206      6.39505040    -15.23588738
  H     12.43466531      8.98555794    -16.10126987
  O     13.17327669      8.68421109    -16.65480080
  H     19.88300010     10.09177728    -15.26793300
  H     13.20421324      7.71960756    -16.63998835
          69
 Energy    -251.61138917474881     
  O     12.47371242     10.46881407    -15.40872427
  H     13.08589507     11.18464243    -15.20900885
  H     15.39840852      5.64737560    -16.45224743
  O     16.12173730      6.01646936    -13.39070273
  H     12.94524352      9.87891881    -16.01487862
  H     19.15231792      7.96992960    -15.17537018
  O     17.38622059     10.01136086    -11.46482171
  H     15.36211906      5.97995549    -12.79452937
  H     20.63081897      7.87058004    -14.72866474
  O     17.02157268     11.93593035    -15.78137617
  H     16.86298580      6.40546923    -12.90600014
  H     15.75382089      7.62572682    -14.16541503
  O     13.51118640      5.93615013    -16.74745983
  H     17.25207545      9.92081468    -10.51361474
  H     16.56763154      8.47473325    -15.15088872
  O     14.25331276      8.48656719     -8.97538733
  H     16.52029549     10.20661744    -11.85306765
  H     10.30416997      8.99574971    -13.66680014
  O     13.86552942      6.17887837    -11.79384109
  H     17.56931280     11.48147015    -15.11617547
  H     11.65717705      9.46113237    -14.25409136
  O     15.02065798     10.39274188    -12.80771312
  H     17.59376980     12.56530571    -16.21471058
  H     17.80516069      6.81393949    -10.42833362
  O     16.53021337      9.79477134    -17.68867875
  H     12.96927774      5.30481537    -17.21287104
  H     17.33596397      7.61984029     -9.20330405
  O     14.91159212      5.69843883     -9.24174380
  H     13.13000400      6.02792087    -15.85536552
  H     12.00477473      7.15784990    -14.09782598
  O     17.90851542      7.82713736    -16.35916339
  H     13.74727653      8.69076592     -9.77301415
  H     12.90244137      6.09720052    -13.43415067
  O     16.31741541      5.59654948    -16.16467882
  H     14.34642253      7.52600559     -8.95674216
  H     18.25172755     10.57366218    -13.03618009
  O     19.76179877      8.12546508    -14.43090081
  H     14.14718803      5.87539271    -10.92202415
  H     19.07867558      9.88518154    -14.13555068
  O     15.78724944      8.49665600    -14.58377259
  H     13.62689783      7.11169858    -11.69231447
  H     18.83863112      7.54223401    -12.88601704
  O     11.24489432      8.84693655    -13.62056621
  H     15.29324384      9.72239905    -13.45702777
  H     17.89508085      8.30740630    -11.93579075
  O     17.40771421      6.72280571     -9.55276875
  H     14.77967411     11.17657009    -13.31246207
  H     15.85351049      9.16200556     -8.82233199
  O     12.47919764      6.33518038    -14.26799653
  H     16.63223316     10.55084124    -17.09920504
  H     16.92131842      9.86662883     -7.95125142
  O     18.56514312     10.67875944    -13.94382879
  H     15.62467297      9.47731524    -17.56837767
  H     13.78200017      9.44804100    -11.91641890
  O     18.20586891      7.42008926    -12.16823175
  H     14.92045338      4.96995138     -8.62713527
  H     12.36365580      8.87843339    -12.12924789
  O     16.79080211      9.42583777     -8.78635920
  H     15.83670078      5.98186753     -9.35616970
  H     14.37223040     13.34880421    -14.65434705
  O     13.11613026      8.86426400    -11.52491669
  H     17.39894561      7.00341214    -16.41251831
  H     15.37152281     12.26815464    -15.12415607
  O     14.50681696     12.40537367    -14.70413286
  H     17.53731424      8.46318805    -16.98643698
  H     13.82429799      7.77570131    -16.97117523
  O     14.09106344      8.68337338    -16.78250996
  H     16.28370424      5.54798330    -15.19866930
  H     14.62201854      8.62752939    -15.97272761
          69
 Energy    -251.61120137746798     
  O     12.88891098      9.51295727    -16.16283494
  H     12.72052814      9.23689516    -15.24369261
  H     17.06537198      4.56300888    -15.97218555
  O     16.78581440      5.79931778    -13.11815852
  H     12.05707888      9.82081074    -16.51245554
  H     21.46294778      6.77882655    -12.92281808
  O     20.12284961     10.07629519    -13.38139008
  H     16.66364098      6.57388185    -13.69103374
  H     20.00933603      7.13778673    -12.53759866
  O     19.76473794     10.24949327    -16.07471748
  H     16.80743034      5.04236509    -13.71387664
  H     16.61156843     10.40466248    -17.08198222
  O     14.01245916      5.09576016    -15.27952299
  H     20.47481305      9.18318239    -13.28464126
  H     18.13728719     10.14745090    -17.07721135
  O     16.11997416      9.79608616     -9.40540698
  H     19.43899701     10.15937999    -12.70445757
  H     17.49066395      7.81243405    -15.22532351
  O     14.65282183      6.39375457    -11.45451266
  H     20.46034985     10.79314948    -16.43596511
  H     15.95105658      7.71825707    -15.51706197
  O     15.98172044     10.18119328    -13.49730721
  H     19.85023644     10.30137725    -15.10657651
  H     12.40072404      7.68161424    -13.50028203
  O     17.81169104      5.64538843    -17.12749299
  H     14.85064495      4.62092078    -15.27175135
  H     12.96993829      8.96709142    -12.87241039
  O     16.52492580      7.10674039     -9.44560219
  H     14.15127910      5.86198790    -15.85452397
  H     13.02909547      5.51240107    -13.92929136
  O     19.29266974      7.50837058    -15.67694529
  H     16.05327082     10.16161487     -8.52759125
  H     11.74044629      5.24217476    -13.11480546
  O     16.66589795      4.00291375    -15.28253263
  H     16.26044654      8.83743145     -9.30241868
  H     18.32067952      8.06666176    -11.55548171
  O     20.69283974      7.25718388    -13.21860371
  H     13.84394673      6.12341922    -11.90634830
  H     17.96808478      6.61634766    -12.04316096
  O     17.32576611      9.95269565    -17.55659126
  H     15.38178700      6.11251244    -12.02665657
  H     17.45073281      9.99647799    -10.77567714
  O     16.61188225      7.88901003    -14.83316086
  H     15.30417573      9.91154109    -12.86298258
  H     17.31150456     10.07085251    -12.30920396
  O     12.48044748      8.63407870    -13.63446707
  H     16.20934557      9.38748380    -14.00786783
  H     16.85774782      8.50687873    -18.33839820
  O     12.50221686      5.81288674    -13.16604765
  H     18.46060662      6.20657549    -16.68016571
  H     16.53443493      7.78193428    -19.66755659
  O     18.57439089      7.13342073    -11.49085123
  H     17.36701646      6.22420326    -17.75736405
  H     14.75925847      9.53118819    -10.75504607
  O     17.94059648      9.87732221    -11.59724210
  H     15.80760831      6.74123509     -9.98125329
  H     14.42179977      8.21860586    -11.49200364
  O     16.52858025      7.67156412    -18.72108863
  H     17.33048872      6.97332191     -9.95964318
  H     15.53719305     10.97564656    -15.14055395
  O     14.28313390      9.17724491    -11.51492228
  H     19.52354347      8.40563878    -15.95071211
  H     14.42950044     10.65551949    -16.15133153
  O     15.28981162     11.08306957    -16.06881248
  H     19.79374600      7.32784730    -14.87180234
  H     14.00423064      8.13635655    -16.65322029
  O     14.60903771      7.38650136    -16.72731683
  H     16.91708599      3.10522801    -15.48233094
  H     15.14071830      7.49201785    -17.52660835
          69
 Energy    -251.60466462509089     
  O     11.72675653      8.31373020    -15.01570307
  H     11.98530946      9.23800271    -14.91357639
  H     18.67754174      8.23702877    -15.66810536
  O     16.98382543      6.08392970    -12.94920711
  H     11.53641625      7.97039919    -14.13491652
  H     15.77057380     11.11280573    -15.69072318
  O     16.79240839     10.53396434    -11.97713906
  H     17.57782258      6.81085007    -12.71532480
  H     15.02276538     10.14946609    -16.63391413
  O     17.31125292     11.04949198    -14.73133573
  H     16.33206001      5.98590448    -12.23994495
  H     14.46161656      6.94405430    -14.41593347
  O     13.94428199      5.25635297    -15.14888711
  H     15.86613857     10.37403374    -12.21075314
  H     15.81883239      7.27942159    -13.78250763
  O     14.87865385      8.71775867     -8.58267653
  H     16.82705008     10.64434120    -11.01947298
  H     11.75218935      6.28677351    -12.51122031
  O     15.02285199      5.97308282    -11.00375829
  H     17.20297451     11.03817234    -13.77226368
  H     10.33846959      6.83385367    -12.20234912
  O     14.23747997      9.87343632    -12.76513343
  H     17.96495736     10.36899571    -14.92746051
  H     18.55760980      8.08421161    -10.58932175
  O     16.49737008      6.33617657     -8.66025146
  H     13.53435679      5.65494292    -15.92718830
  H     17.99266638      8.92656860     -9.42980757
  O     17.68862920      7.14909877    -16.60559712
  H     14.85613586      5.02357386    -15.36616337
  H     13.22555747      4.92882146    -13.50035003
  O     16.74083344      4.75649120    -15.31633695
  H     15.33052299      7.87276337     -8.46863515
  H     13.64252443      5.11955271    -12.01962641
  O     19.18119294      8.85812985    -15.11336939
  H     14.20847220      8.57329329     -9.26420220
  H     17.85794167      9.10890375    -12.29401086
  O     14.93986639     10.99413721    -16.17470988
  H     15.50130952      5.95318886    -10.16513357
  H     18.83589120      8.50459397    -13.33045035
  O     15.03830512      7.68222862    -14.18140082
  H     14.45231965      6.75440955    -10.97344372
  H     16.10898517      9.90841882     -8.92809554
  O     11.21994739      7.10116197    -12.45016952
  H     14.51355286      9.11152641    -13.30056532
  H     16.94673796     11.13389286     -8.48958016
  O     18.35060012      8.05621224     -9.64661255
  H     13.65908226     10.40106935    -13.32749044
  H     15.19227822      8.19792668    -15.94566167
  O     12.88229400      4.97478591    -12.59676695
  H     16.86729994      5.80242153     -7.96265425
  H     14.34881138      7.83736462    -17.18085375
  O     18.44512313      8.35585905    -12.45991749
  H     17.22036257      6.89098751     -9.00531980
  H     13.61555686      8.86653168    -11.43964203
  O     16.86992910     10.46765503     -9.16704198
  H     17.43028064      6.28446149    -16.26719451
  H     12.47808128      7.84858075    -11.24676046
  O     15.15727995      8.28800965    -16.91118479
  H     16.86922803      7.56880820    -16.90184378
  H     13.46638228     11.05379056    -15.31248927
  O     13.28276833      8.18544516    -10.83612253
  H     17.18206215      3.91060831    -15.31652816
  H     12.18837036     11.82282577    -14.89557187
  O     12.66114495     11.00637327    -14.76261518
  H     16.89436352      5.15291432    -14.44004434
  H     12.03329163      6.75586209    -17.75210407
  O     12.70024232      6.87445695    -17.08186583
  H     20.00444842      9.02248295    -15.56598753
  H     12.29409835      7.40153919    -16.36812795
          69
 Energy    -251.60465728869343     
  O     18.07518013      5.19547121    -11.00235957
  H     17.65869894      4.33490453    -10.88484009
  H     17.84564447      6.68249895    -14.44770480
  O     13.98051974      8.18978908    -11.68890166
  H     18.03424360      5.41606953    -11.94194374
  H     10.86933934      5.72274094    -13.31710559
  O     14.29083423      9.78296864    -15.84903810
  H     13.57414484      8.40948495    -10.84292107
  H     11.37674896      7.16646762    -13.24678225
  O     17.72709781      7.52834654     -9.67392868
  H     14.06884616      7.22172375    -11.70722526
  H     14.66812997      5.17311067    -10.88405821
  O     14.85271112      4.38858247     -9.20723549
  H     14.13881387     10.62576655    -16.26774495
  H     14.93561009      5.14007948    -12.43504772
  O     16.71121538      2.70276851    -10.45963252
  H     15.14535011      9.84879003    -15.38583405
  H     15.38736523      2.87143880    -13.21179457
  O     12.77110048      8.13900180    -14.14015727
  H     18.53084468      7.75470018     -9.21314511
  H     14.18413834      2.38867279    -12.38899739
  O     15.22087542      7.27604576    -16.88569745
  H     17.87745369      6.65879579    -10.08760251
  H     13.75240657      7.88898191     -8.79057162
  O     12.11611591      3.64999633     -9.26857234
  H     15.47081580      3.70618747     -9.49864251
  H     12.70578866      8.98035773     -8.45308191
  O     16.72524660      9.74216782    -14.64483207
  H     13.96631986      4.00771851     -9.15224134
  H     11.15031351      6.27148033    -10.95400918
  O     17.81059387      7.50490776    -16.10278740
  H     17.21286356      1.93079451    -10.21156919
  H     11.81554759      6.88848976     -9.69354144
  O     17.63771986      6.34834445    -13.56597692
  H     16.16318267      2.44878423    -11.22348146
  H     17.09590144      8.34576061    -11.24791557
  O     10.87551068      6.50456351    -12.75443940
  H     13.17311975      8.77979519    -14.73854433
  H     15.72798555      8.49621659    -11.95521468
  O     14.37271055      5.50675664    -11.74111325
  H     13.19454773      8.26227462    -13.27686147
  H     16.06808513      7.27714746     -8.79030343
  O     15.11059240      2.19470864    -12.57545028
  H     14.83755791      8.13830714    -16.68035042
  H     15.11266103      6.08828304     -8.56369618
  O     12.93864148      8.32501217     -9.10449590
  H     14.62692096      6.62524462    -16.49069883
  H     14.95567685      4.89797840    -14.53072896
  O     11.35894587      6.10673856    -10.02289762
  H     11.80638983      4.54701128     -9.50258102
  H     16.39684181      5.11045062    -13.95678613
  O     16.68473616      8.54357800    -12.09776217
  H     11.52069604      3.31781652     -8.60321935
  H     13.08967205      4.20760450    -11.99452123
  O     15.21075418      7.03944123     -8.41807243
  H     16.77022029      9.46391721    -13.72026042
  H     12.26819772      3.25972421    -11.11558291
  O     15.65787344      4.48917804    -14.00509453
  H     17.22944550      9.08847965    -15.14448679
  H     11.72379833      3.73512717    -13.54664158
  O     12.57027141      3.38868146    -12.02200437
  H     16.90627776      7.35914061    -16.43525684
  H     10.73503289      3.46527267    -14.70462937
  O     11.34461622      4.11207245    -14.35885937
  H     18.39195345      7.45917049    -16.85670764
  H     12.76170973      5.10646228    -15.13042232
  O     13.50546030      5.70192359    -15.27897403
  H     17.28076174      7.09882434    -13.06902653
  H     13.26367143      6.54171612    -14.86003700
          69
 Energy    -251.59677927632779     
  O     15.46571362     12.28707309    -11.15251906
  H     14.94627896     12.46822337    -10.35970066
  H     13.94193750      8.22189717    -14.75939923
  O     17.44884235      8.65501152     -6.82360409
  H     16.18462729     11.70889844    -10.86795266
  H     11.30051463     10.57853452     -9.24624143
  O     16.35199348      6.08948562    -11.20713768
  H     18.17007906      8.84028377     -7.43776765
  H     11.75592448     11.20061604    -10.58169625
  O     18.54871481      6.38953723     -9.48901161
  H     16.74744936      9.28413881     -7.03753446
  H     15.64073066      9.19492595    -13.69113957
  O     16.98510478      5.99243235     -7.11040460
  H     15.79755000      6.05303093    -10.41530391
  H     14.80489290     10.37975322    -14.21743419
  O     17.18654392     10.34603684    -10.04104345
  H     15.80772478      5.77769897    -11.94454044
  H     19.11876910      8.01195757     -9.21965233
  O     13.96047800     12.55629877     -8.74129092
  H     17.92269094      6.21053525    -10.20328921
  H     20.29477316      8.99115378     -8.98802322
  O     10.45058982      7.46562191    -11.01014259
  H     18.10547458      6.10951472     -8.67856257
  H     14.32195750      6.82010130     -8.59818734
  O     15.40630777     10.29630411     -7.87421938
  H     17.11396393      6.94156170     -6.93247522
  H     15.47907380      5.87629749     -8.20117532
  O     13.72277277      8.64786590    -11.18219186
  H     17.20220424      5.52945697     -6.30579143
  H     12.74390453     11.16574995    -12.82296878
  O     12.81579376      6.01809663    -10.89282859
  H     18.01793466      9.96344711     -9.73414046
  H     11.66275924     10.02892536    -12.87647862
  O     13.29790167      7.50532661    -14.91018161
  H     16.56999089     10.29436621     -9.29659875
  H     10.29677475      8.42324167    -14.34074870
  O     11.70710652     11.36406637     -9.62957920
  H     13.72578874     13.37410884     -8.31110153
  H     11.78457346      8.08612697    -14.10570597
  O     15.05624751      9.47005450    -14.41297613
  H     13.12700083     12.13966935     -9.02676958
  H      9.91147366      8.70224117     -8.14334052
  O     19.34399239      8.92735404     -8.97231343
  H     11.13834358      6.78851321    -10.93072999
  H     10.54527815      8.38361176     -9.51582146
  O     14.76835902      5.99662534     -8.84302370
  H     10.54272667      7.81815440    -11.90148064
  H     13.77078259      5.47375250    -12.41616892
  O     12.10578544     10.66306963    -12.29924503
  H     14.96880249     11.14064224     -8.03852525
  H     14.10533492      6.13393738    -13.75693152
  O     10.99911998      8.48470163    -13.69713444
  H     14.72308874      9.61850057     -7.98313552
  H     14.28817858     12.86181895    -13.99737217
  O     10.68052383      8.86786184     -8.68201004
  H     14.61318434      8.70894100    -11.54966793
  H     14.69673944     12.14934314    -12.68622479
  O     14.43463385      5.49149354    -13.11986692
  H     13.19572580      9.36606827    -11.55020346
  H     13.60262076      8.58495322     -9.42460237
  O     14.21010091     12.03814058    -13.52399828
  H     13.34450283      5.74283430    -10.13420308
  H     12.51701267      8.53073453     -8.33588886
  O     13.46632499      8.43828277     -8.47375958
  H     13.10793382      6.92404575    -11.08951501
  H     16.46860921      7.78723306    -11.81993211
  O     16.34957466      8.70414845    -12.10442131
  H     13.43067889      7.20452967    -15.80592317
  H     16.71217823      9.27754630    -11.41626120
          69
 Energy    -251.59640240521873     
  O     12.26375409     11.19205023    -14.61388631
  H     12.88781673     11.86254766    -14.31586878
  H     18.88470090      8.54676605    -15.18880348
  O     15.88329186      6.66852657    -13.49177001
  H     12.68553824     10.73749844    -15.35761209
  H     14.59393681      9.33980119    -14.87062112
  O     17.18667418     10.12771211    -10.91334699
  H     15.13210274      6.52481399    -12.90069357
  H     15.42888909      8.38388209    -13.96189265
  O     16.52153134     11.67033739    -14.70396256
  H     16.63836931      6.93947826    -12.95239333
  H     10.07835454      9.52860590    -13.10221080
  O     13.18279135      6.92367697    -16.70173558
  H     17.09030028      9.85610340     -9.99199360
  H     11.44404469     10.03789251    -13.61811052
  O     14.13198920      8.11305863     -8.61402865
  H     16.31306567     10.42549903    -11.20368040
  H     17.65849824      6.80423472    -10.48490428
  O     13.68133526      6.46648718    -11.83351928
  H     16.12707733     10.79993083    -14.53917991
  H     17.21337260      7.35476776     -9.11862300
  O     14.66863548     10.79465936    -11.88775003
  H     17.34025012     11.68234651    -14.18871493
  H     11.72463675      7.75973304    -13.87484868
  O     17.99434118      8.20875786    -16.74866719
  H     12.80781144      6.89332468    -15.80239868
  H     12.65467528      6.62253519    -13.41915654
  O     14.80378662      5.45202052     -9.47968143
  H     12.60223817      6.41164276    -17.25816992
  H     18.29188881     10.92831663    -12.25905977
  O     15.96662543      6.52296363    -16.23514910
  H     13.56006388      8.45943167     -9.31145846
  H     19.00846845     10.39351358    -13.51625531
  O     19.38500148      8.68553355    -14.36962548
  H     14.23597268      7.17120366     -8.79749277
  H     17.70645216      8.57225043    -11.69722276
  O     15.17869725      9.30364652    -14.10283722
  H     13.99265271      5.98702098    -11.05583820
  H     18.56393767      7.97090821    -12.83818310
  O     11.01340615      9.34186910    -13.08960351
  H     13.40868519      7.34234350    -11.52444973
  H     16.82944005      9.34512156     -7.47979749
  O     17.28688134      6.54104052     -9.63323706
  H     14.49072654     11.66257084    -12.26620508
  H     15.73536976      8.78103326     -8.41742275
  O     12.18664023      6.97227873    -14.18733714
  H     14.79308371     10.20193369    -12.64872651
  H     16.41648767     11.06742571    -16.51136075
  O     18.69465576     11.20219679    -13.09383431
  H     18.40925925      7.93221790    -17.56240595
  H     16.84694380      9.72384705    -17.11499333
  O     18.00745085      7.73710375    -12.08598879
  H     17.26258482      7.58508618    -16.58666227
  H     13.45746816      9.67941090    -11.17346915
  O     16.67218492      9.04434975     -8.37070855
  H     14.82853014      4.61528834     -9.02388014
  H     12.08587222      9.10143021    -11.57365464
  O     16.22530557     10.45181950    -17.23175598
  H     15.72487267      5.76103176     -9.55252471
  H     14.39216709     13.92451349    -13.70584237
  O     12.81670017      8.98721985    -10.95345497
  H     15.04147619      6.60272387    -16.49352639
  H     15.13982837     12.62754476    -14.09032169
  O     14.33681658     12.97354763    -13.66385684
  H     15.96344428      6.41348032    -15.27253295
  H     14.52328788      9.93886611    -16.87954042
  O     13.69454005      9.67481249    -16.45201044
  H     20.30096282      8.51500134    -14.57955037
  H     13.49607975      8.76426798    -16.70168272
          69
 Ord_Energy   -251.592865    
 O   -3.94318724      -2.24754143       3.93277049    
 H   -3.13465595      -1.71813703       3.90877151    
 H   -4.65532494      -1.60684609       4.05997324    
 O   -6.71098423       1.70844805       8.08258533    
 H   -6.38045406       2.40990257       7.50656176    
 H   -6.15904570       1.72736645       8.87410545    
 O   -1.05692351      -1.16621780       9.37408733    
 H   -1.17946279      -1.85920668       8.70028496    
 H  -0.437886447      -1.51584172       10.0112553    
 O   -4.20541620       6.05341101       5.82706308    
 H   -4.27592707       6.94527960       6.15614271    
 H   -3.25552011       5.83798647       5.80124855    
 O   -4.82975006       1.73573458       10.2425852    
 H   -4.45319033      0.836641848       10.2707062    
 H   -4.90799618       2.03205132       11.1447554    
 O   -1.67730272       4.75978470       2.74125695    
 H   -1.35791719       5.16749144       1.94137728    
 H   -2.63819838       4.91726017       2.77533102    
 O   -4.35531569       5.04709864       3.12892532    
 H   -4.43329525       5.49816561       3.97872281    
 H   -4.65277624       4.14013672       3.28580737    
 O   -1.59000742       5.36117411       5.55682516    
 H   -1.46015286       5.24607468       4.60756493    
 H   -1.26536655       4.54991913       5.97014046    
 O   -1.82503903     -0.470237523       4.45266485    
 H   -2.31382227     -0.369094610       5.28582525    
 H   -1.77541184      0.416809052       4.07340956    
 O   0.347832829      -1.72811019       5.46866083    
 H  -0.384579271      -1.28953564       5.00060892    
 H   0.998104215      -1.95936179       4.81106186    
 O   -1.03950953       2.77217984       6.52495861    
 H   -1.80793798       2.74073935       7.11327600    
 H  -0.474995017       2.03193235       6.78946257    
 O   -3.74371576     -0.709738791       10.1157923    
 H   -2.80509496     -0.819968164       9.91773129    
 H   -4.22006178      -1.27294767       9.49062443    
 O   -1.31384981      -2.99240685       7.38622570    
 H  -0.715723574      -2.69021487       6.69015646    
 H   -2.11414933      -3.30973911       6.95371008    
 O   -3.44803810      -8.80901981E-03   6.62861013    
 H   -3.36679649      0.805114210       7.14019203    
 H   -3.85017896     -0.675028384       7.19933701    
 O   -5.57729387     -0.123166353       4.82409286    
 H   -4.81479692      -2.68488508E-02   5.41690588    
 H   -6.31989002     -0.329218686       5.40320539    
 O   -3.79202390      -3.79881001       6.15518093    
 H   -3.85342431      -3.29704165       5.32335424    
 H   -3.96738696      -4.71117258       5.94010353    
 O   -1.92082787       2.22864389       3.94571400    
 H   -1.73116612       3.01475930       3.42040467    
 H   -1.60035396       2.40733790       4.84342909    
 O   -3.34598470       2.45407510       7.97846746    
 H   -3.73583055       2.28486252       8.84407139    
 H   -4.02859688       2.89067268       7.44813585    
 O   -7.28630638     -0.694572568       7.00192261    
 H   -7.12326384      0.177377135       7.40762615    
 H   -8.21627426     -0.875905097       7.10536480    
 O   -4.73365068       2.38408351       3.98007250    
 H   -5.13334036       1.51168382       4.08876753    
 H   -3.77353978       2.26212931       3.96536851    
 O   -5.34384966       3.56648922       6.42436123    
 H   -5.06836939       4.48551321       6.31457567    
 H   -5.19639349       3.13537192       5.57021999    
 O   0.227045447      0.470508486       7.35942030    
 H   0.417051315     -0.235657439       6.73176479    
 H  -0.224796608       4.19240594E-02   8.09638691    
 O   -4.95325947      -1.98634326       7.96471310    
 H   -4.65678358      -2.69912386       7.38424587    
 H   -5.80442095      -1.66419590       7.64049911    
          69
 Energy    -251.59056614637498     
  O      0.81222365     -0.28097685      4.71083531
  H     -0.10721328     -0.53735701      4.85747960
  H     -1.77681926      3.30939334      1.61729151
  O      1.84346810     -0.10543389     -2.78422166
  H      0.82143858      0.67372788      4.84018820
  H     -2.00575654     -0.21159269      3.89177589
  O     -0.45389261      0.58689713     -1.20784792
  H      1.01066941      0.23675112     -2.43545635
  H     -2.20944142      0.41076532      5.28913855
  O      1.68016609     -2.86122223     -2.01335274
  H      1.78756699     -1.06566064     -2.69410404
  H      0.47558434      2.07417803      1.72803976
  O      3.20024615     -2.06437944      0.09081363
  H     -0.67884752     -0.35477100     -1.18120057
  H      0.02574834      2.57626500      3.13734371
  O     -3.93671827      2.61165438      3.65237971
  H      0.17760932      0.74376240     -0.49274098
  H     -2.89014386      2.46356817     -2.06070183
  O     -3.36005087     -3.65014560      2.04773564
  H      2.04149789     -3.65046557     -2.40744214
  H     -1.90082558      1.60625471     -1.23953030
  O      0.29974698      2.55976688      4.97746451
  H      2.23403128     -2.65413533     -1.23889267
  H     -1.31833355      0.98171983      2.13415809
  O      3.69996313      0.59144495     -0.91703398
  H      3.54345161     -1.20298258     -0.17580666
  H     -2.59336736      0.26266082      1.58665044
  O     -5.58282872      0.46259369      2.70720867
  H      2.76625512     -1.92759612      0.94399602
  H     -0.05504845     -2.50209572     -1.44895460
  O     -4.27368332     -1.82494900      3.82712488
  H     -4.54708103      1.91286244      3.39328855
  H     -0.80373990     -2.30534484     -0.10196429
  O     -2.68487787      3.50324452      1.34268983
  H     -3.57470494      2.98382798      2.83469741
  H      0.81942081     -1.89641633      2.11246034
  O     -2.05359983     -0.42653676      4.83738348
  H     -3.73007370     -3.02718041      2.69890440
  H      1.48077067     -1.03083979      3.20743695
  O     -0.24603966      2.49676539      2.21510708
  H     -3.65071997     -4.52050877      2.30587447
  H     -2.92711350      2.43973587      5.00176995
  O     -2.73777295      2.09928369     -1.19253073
  H      0.73909401      3.22403019      5.50294293
  H     -2.82583582      2.53123443      6.54420554
  O     -1.80707562      0.14971861      2.13429549
  H     -0.61357952      2.50275594      5.30333800
  H      2.31400282      0.95857408      0.27316048
  O     -0.86640104     -2.15620412     -1.05781704
  H      4.44921194      1.06387454     -1.26850730
  H      1.53528554      0.13914417      1.33849355
  O      1.61763316     -1.38959151      2.31849262
  H      3.11002173      0.39580954     -1.66712934
  H     -1.62885214     -2.95856834      1.88722603
  O     -2.34282145      2.26982151      5.76520514
  H     -6.51176672      0.55558751      2.51055768
  H     -1.17461847     -1.47899912      1.85005462
  O      1.50318085      0.94011517      0.79504288
  H     -5.11974764      0.41493412      1.85216622
  H     -2.74900205     -2.29636655     -0.83466795
  O     -0.87497900     -2.38940813      1.69251717
  H     -3.54887766     -1.44389718      4.34058113
  H     -3.61414062     -2.81295312      0.33544691
  O     -3.63470645     -2.25278601     -0.45099958
  H     -4.79650269     -1.07765791      3.51248156
  H     -3.98732147     -0.61149288      0.07204296
  O     -4.07673554      0.27427825      0.45750581
  H     -2.75990940      3.15430542      0.44842935
  H     -3.74209461      0.91734603     -0.17836026
          69
 Energy    -251.58900319599687     
  O     10.22430164      9.17950815     -8.72728730
  H     10.30270706      9.85044871     -9.42735285
  H     13.97242371     11.91425910    -13.36712686
  O     13.97841320      8.99468527    -16.62010525
  H      9.30296095      9.14414709     -8.48201278
  H     18.34484463     10.15169490    -11.41821177
  O     11.46225729      7.35506770    -10.62735210
  H     13.68240322      9.91534653    -16.50527860
  H     17.14580634     10.24582359    -10.44636049
  O     14.43547932      8.26256515    -13.95106762
  H     14.46417127      8.96184696    -17.43971887
  H     15.55222031      7.61344436    -12.55591345
  O     12.65517877     12.82711785     -7.37339611
  H     12.37312115      7.32135738    -10.30054193
  H     16.59173038      8.26975072    -11.62040744
  O     12.94603708     11.49091828    -16.22801037
  H     10.96764881      7.83832877     -9.95765792
  H     13.28350857     15.23623073    -11.45014324
  O     11.77393884      8.26414115    -13.20612016
  H     14.39586122      8.41130921    -14.90378868
  H     12.44984988     14.10174326    -10.80907407
  O     14.96482331      8.88972289     -7.37766044
  H     13.51904179      8.18698596    -13.64391310
  H     14.80685235      7.54043387    -10.41933593
  O     13.47281873     10.30958037    -10.64564539
  H     12.97901623     13.36669424     -6.65599413
  H     14.47778619      7.96341346     -8.94542267
  O     12.49419770      9.97931176     -7.18990968
  H     13.37171853     12.77261938     -8.02893536
  H     11.67608850     11.51180272    -13.46364489
  O     10.80791305     10.98969732    -10.68044410
  H     11.99275005     11.34740373    -16.28546852
  H     10.50427876     10.92287302    -14.29488206
  O     13.22145401     12.49350114    -13.56942909
  H     13.09381343     11.97448786    -15.40580020
  H     14.11248718     11.72057711     -9.78147168
  O     17.40488461     10.00620721    -11.35374154
  H     11.46893045      9.18001533    -13.19805234
  H     14.24643933     13.22662923    -10.08781336
  O     16.02155569      7.49776685    -11.71865527
  H     11.59800415      7.88915773    -12.33119892
  H     15.98454144     10.55962604    -12.39939562
  O     13.23835340     14.28861320    -11.34992454
  H     15.17925274      8.45485983     -6.55649596
  H     14.93656537      9.84354256    -13.30032884
  O     14.08899309      7.72480393     -9.79430553
  H     14.07503040      9.27206345     -7.26888304
  H     10.50431444      9.73053526    -16.12866048
  O     10.88057599     10.96243612    -13.40787164
  H     14.00672643     10.42288405    -11.44250851
  H      9.43355084     10.70620030    -16.67700567
  O     14.46503097     12.55555683     -9.43101796
  H     13.63224955      9.41301654    -10.32361214
  H     15.95843247     11.48588491     -8.98666362
  O     15.14083382     10.67858025    -12.85287248
  H     11.71120869      9.65273262     -7.64956276
  H     16.07259642     10.09251063     -8.33195893
  O     10.20172314     10.65706040    -16.11548232
  H     12.43486403     10.94197867     -7.18844927
  H     10.91061714     12.71366884    -10.05571614
  O     16.54730241     10.72732966     -8.88338261
  H     11.74518925     10.74145440    -10.62926797
  H     11.51315771     13.41945597     -8.82985467
  O     11.17805155     13.58115141     -9.71964540
  H     10.59697162     11.00289069    -11.62330991
  H     12.19271742      8.29329477    -16.29844294
  O     11.29109241      8.17807645    -15.97434239
  H     13.21084042     13.17311897    -12.88589021
  H     11.37348990      8.01383627    -15.02408393
          69
 Energy    -251.58693379207165     
  O     16.40718714     10.27341871    -15.24689806
  H     17.22946648      9.76245453    -15.25971607
  H     13.95071094     11.81744398    -12.03941172
  O     15.55930473      7.92183360     -9.35782710
  H     15.68643914      9.68837924    -15.51995188
  H     16.98832527      4.70334377    -15.44559126
  O     16.59852493     12.92551537    -14.65659133
  H     15.73667080      7.65227596     -8.46007835
  H     18.24126301      3.79813177    -15.37167210
  O     12.98830485      8.65993799    -10.53515183
  H     16.23661710      8.57806488     -9.58984075
  H     15.78884705      7.88866662    -12.30903171
  O     14.39582759      8.47995424    -15.82861835
  H     16.45505806     13.47268214    -15.42449161
  H     15.72636362      6.99767729    -11.06132248
  O     18.69525487      8.76055510    -15.02802234
  H     16.48985994     12.00301644    -14.94492327
  H     18.18379293      6.12197145    -16.54920668
  O     20.44989307     10.34570274    -13.52794328
  H     13.79787630      8.42460136    -10.07126984
  H     18.40303083      7.64323517    -16.50382447
  O     18.29354204      6.64071051    -13.26171261
  H     13.12141737      9.55162134    -10.89175604
  H     17.67148978     12.88279213     -9.61432877
  O     11.73532289      7.54621335    -12.67221302
  H     14.68218901      8.02765878    -16.63225793
  H     17.45952767     11.51845337    -10.30909884
  O     15.19886014     13.10710452    -12.15735800
  H     14.26748111      7.78943541    -15.16290413
  H     16.45862327      6.99252487    -17.67387821
  O     12.41785277      9.86581515    -14.26561815
  H     19.37320216      9.31691639    -14.62518383
  H     15.45476408      6.90552808    -18.84897855
  O     13.48856364     10.96931639    -11.97878095
  H     18.52692936      8.03866286    -14.40438247
  H     16.06901203      9.89396878    -13.49315949
  O     17.94620769      4.69861023    -15.26702726
  H     19.88805946     11.11394754    -13.31977430
  H     14.98774157     10.07385794    -12.38486187
  O     15.83749491      6.96261454    -12.01707223
  H     21.33101104     10.67972581    -13.67233986
  H     18.12322164     12.67203487    -13.57829003
  O     18.10028768      6.92637736    -17.07640759
  H     18.25395819      5.90146435    -13.88136672
  H     18.42851817     12.50333314    -12.07703001
  O     17.45669341     12.47926743    -10.45166743
  H     17.44513611      6.66137874    -12.79682120
  H     16.86471846      9.76028223    -11.19766912
  O     15.51143638      6.95339455    -17.89870142
  H     12.16074322      7.88948993    -11.86569496
  H     18.23754830      9.29379314    -10.65434134
  O     15.81463041      9.62318406    -12.60458302
  H     10.85396313      7.27982553    -12.42495488
  H     14.60640474      6.48905201    -13.24881680
  O     18.81471487     12.41410909    -12.95650066
  H     15.61741431     13.12828948    -13.02675843
  H     13.10724786      6.69246498    -13.56552795
  O     17.41052806      9.72744972    -10.39517558
  H     15.91419968     12.96835477    -11.52520993
  H     19.26791934      7.74913235    -12.03771260
  O     13.94866828      6.42394220    -13.95566761
  H     13.01889075      9.51427380    -14.93319396
  H     19.98135929      9.10999889    -12.13700914
  O     19.58457705      8.49316877    -11.50935882
  H     12.05960579      9.09447741    -13.80786240
  H     15.26556549      5.49843465    -16.64153329
  O     15.31300710      4.91207785    -15.87678636
  H     13.06118494     10.77233087    -12.82634675
  H     14.74901048      5.31198719    -15.20069652
          69
 Energy    -251.58350529810843     
  O     12.03140228      6.44287995    -11.94946398
  H     12.66782903      5.73647515    -12.11167749
  H     14.61223687      5.92583596    -14.99491137
  O     17.24410123     10.20365261    -15.14519404
  H     12.42982170      7.02044043    -11.28356483
  H     16.72876959      5.78268255    -13.89809703
  O     17.43428532      8.74954750    -12.80068431
  H     16.48273345      9.85198911    -15.62682772
  H     18.25469594      5.97180017    -14.06694039
  O     16.11042018     12.48735919    -13.96290578
  H     16.96151851     11.04553222    -14.76511913
  H     14.31232729      8.38004672    -11.97896408
  O     13.42506886      8.25822683    -10.34683910
  H     17.48731797      9.25405155    -13.62353378
  H     15.60656361      8.72400961    -12.77726551
  O     14.99759663      9.27162494    -16.61073711
  H     17.54796624      7.81512412    -13.01922013
  H     14.44543043      4.62117636    -13.32209057
  O     13.90195139     11.52416372    -15.49949500
  H     15.85429039     12.25555042    -13.05177619
  H     13.87409436      3.51153950    -12.41393395
  O     16.94300361      5.31629496    -16.94027102
  H     16.45809777     13.37459758    -13.92952023
  H     13.33873638      9.80005337    -13.24241588
  O     11.05482917      7.88180426    -14.01520050
  H     14.18439313      8.08630050     -9.77414290
  H     11.86378870      9.55668723    -13.62348004
  O     16.16234306      5.69030018    -10.98088081
  H     13.19699583      9.19405842    -10.28422674
  H     15.97756268      6.87084439     -9.72529965
  O     13.63436543      7.41334804    -15.06896450
  H     14.49858008      8.57784402    -16.15823005
  H     16.06616450      7.21786211     -8.21982473
  O     15.21653483      5.18921494    -14.82214810
  H     14.57393371     10.11076690    -16.37579693
  H     20.27901506      5.77485811    -15.67316082
  O     17.53229518      6.04940381    -13.43093289
  H     14.61003946     11.96489398    -15.01237314
  H     19.26960833      6.92458142    -15.90597924
  O     14.65342679      8.60131001    -12.85438926
  H     13.28033010     11.21360179    -14.82950433
  H     16.63204229      9.14603369     -9.79327338
  O     14.03535553      4.45139461    -12.45721051
  H     16.79362889      6.11019770    -17.46853847
  H     17.29635127      9.49334756    -11.13640364
  O     12.48750327     10.24915111    -13.37143941
  H     17.81870947      5.42388677    -16.54903684
  H     16.43797777      8.02613511    -19.20676379
  O     15.79767035      7.56573616     -9.06578049
  H     10.15697510      7.63161948    -14.21312244
  H     16.01081594      8.38702378    -17.76708706
  O     19.36759854      6.02385225    -15.54752234
  H     11.33959805      7.33985996    -13.25556845
  H     15.97407253     11.20480741    -10.98742171
  O     16.97543778      9.88289888    -10.30978848
  H     15.39781755      5.23845353    -11.35688819
  H     14.49980433     11.63440198    -11.13502302
  O     16.62727883      7.84612538    -18.28930374
  H     16.78857010      5.78340587    -11.70982501
  H     18.21555881      8.27380600    -17.32036306
  O     15.38811151     11.82258527    -11.45109779
  H     12.68520032      7.49110941    -14.92337571
  H     18.49055588      9.16190178    -16.09812392
  O     18.87124297      8.45459973    -16.63464599
  H     14.05266329      7.77379879    -14.26824206
  H     12.50240329     10.82193946    -11.66584025
  O     12.70574023     10.98310532    -10.72871615
  H     15.76747639      5.09147074    -15.61248694
  H     12.03335801     11.57328489    -10.39762545
          69
 Energy    -251.58322832072514     
  O     12.77165005      9.11984325     -9.78916170
  H     13.00976293      8.23699863     -9.48523155
  H     14.30325148      7.74986011    -15.69563695
  O     11.89890536      5.76786595    -15.38010183
  H     13.61296213      9.58301567     -9.90981126
  H     14.44960268      4.33302501    -13.91137215
  O     15.26165386     12.04188503    -12.53668286
  H     11.12283376      5.43897936    -15.82584745
  H     12.96560257      4.61469754    -14.20104693
  O     16.47472465      6.72168699     -9.68019169
  H     11.58830039      6.40518628    -14.71215053
  H     14.78955199      6.58510619     -9.25348359
  O     17.76308722      9.27007721     -9.59747352
  H     15.25960825     11.44290571    -11.77567260
  H     13.76083032      6.04029436     -8.23758107
  O     11.24722110      9.92710406    -11.88621617
  H     14.41073137     11.91759372    -12.96944722
  H     17.93384887      6.36495874    -16.57849597
  O     17.71163808     11.80805766    -13.65193645
  H     16.70358063      6.42479597    -10.57127210
  H     19.04276905      5.28551713    -16.63796219
  O     15.25530812     10.06689763    -10.58777120
  H     16.95185694      7.55051189     -9.55357664
  H     12.20628362     10.87915661    -13.08712346
  O     16.94728252      6.31448604    -12.41975750
  H     18.35897675      9.60202592     -8.93150361
  H     12.13571985     11.95388081    -14.19418711
  O     16.86594935      7.56616501    -17.26364369
  H     18.19552193      9.41784821    -10.45806094
  H     11.65371921      6.90928413    -12.67365450
  O     16.00346761      5.06928084    -14.72375247
  H     10.39751173     10.16630493    -11.52353738
  H     11.11978806      8.30790672    -12.99137824
  O     14.36339561      6.88200363    -16.12108179
  H     11.78086845      9.61069460    -11.13550648
  H     13.78227649     10.01336343    -14.56567627
  O     13.56370447      4.25109707    -13.53594234
  H     18.08640737     12.67478843    -13.78295067
  H     14.51003792      8.82696286    -13.89194278
  O     13.83710826      6.50848114     -9.06450859
  H     16.82782184     11.93890302    -13.26316213
  H     13.16578427      5.33642086    -12.15442967
  O     18.44938593      5.73450771    -16.04231039
  H     16.08947078      9.87399358    -10.14396146
  H     13.15577597      6.03339454    -10.73140114
  O     12.73059405     11.35155387    -13.75365855
  H     15.10052835      9.34129187    -11.21356657
  H     18.78288626      7.05118202    -14.68636517
  O     11.17110933      7.41622996    -13.34611435
  H     17.62485559      6.84383855    -12.86144897
  H     18.09258153      8.42196810    -14.51968258
  O     14.37984768      9.27975977    -14.74138863
  H     16.57325027      5.74898100    -13.10901017
  H     15.56517384      7.46523965    -12.38399322
  O     12.86101611      6.10344232    -11.64617280
  H     15.95579369      7.30133547    -17.07321641
  H     14.03508826      7.42478589    -12.13981894
  O     18.65517157      7.77718466    -14.06443408
  H     17.00189332      8.39606742    -16.78752346
  H     18.96070767      9.01910236    -12.68033489
  O     14.76555902      8.00816739    -12.38293878
  H     15.44192839      5.70661959    -15.18990332
  H     18.50656059     10.48423608    -12.53537809
  O     18.83710337      9.72740729    -12.03606289
  H     16.85953401      5.09578924    -15.16706689
  H     17.34873698     10.46994941    -14.90399164
  O     17.05419359      9.67283937    -15.36114570
  H     13.49736445      6.47041919    -16.01063980
  H     16.10933743      9.58685485    -15.16725374
          69
 Energy    -251.58309469151368     
  O     18.28660805     10.55831801    -13.79388499
  H     17.65116199     11.27439109    -13.90962755
  H     11.56891111      9.05962394     -8.73754164
  O     14.56027359      6.53041063    -11.60466223
  H     18.26632731     10.33407581    -12.85408728
  H     14.33303532     12.12125356    -11.44940387
  O     12.20310473      9.57686627    -13.78595974
  H     13.62164467      6.73457354    -11.69961702
  H     15.67103307     12.29041049    -10.70675456
  O     13.00955121     10.84045197    -11.43282120
  H     14.87189618      6.18097160    -12.45133225
  H     15.07415910      8.25685764    -11.83794157
  O     18.68553431      7.11585939    -10.69055913
  H     13.06722578      9.81014081    -14.15229925
  H     14.58273357      9.72924453    -11.66297510
  O     13.43790903      6.78791109    -17.11289771
  H     11.75073543      9.05705350    -14.46639606
  H     18.35938375      9.15882961    -14.81630464
  O     15.48137172      5.75612518    -14.08412728
  H     12.60741370     10.34288228    -10.71051912
  H     19.17604456      8.38759670    -15.87927701
  O     14.82785574     10.12215997    -14.54913092
  H     12.58116076     10.54967878    -12.24992420
  H     11.25798522      6.24396420    -12.96257344
  O     13.20946977      4.67205091    -15.16908421
  H     19.46200891      6.63656921    -10.41502385
  H     10.20479180      5.17741792    -13.33291573
  O     14.69405584      9.23795535     -8.68682652
  H     18.48014697      6.81865004    -11.59568365
  H     17.23548239      6.01377920    -13.47060933
  O     16.13412913      6.97903073     -9.34673837
  H     13.53339827      6.72694825    -18.06042538
  H     18.27228796      7.04877038    -13.94089291
  O     12.14973216      8.98692578     -9.48976326
  H     14.25684594      7.18729928    -16.77716155
  H     11.92531622      7.93674227    -11.02420933
  O     15.18299528     12.58200479    -11.48574112
  H     15.54244016      6.51315157    -14.68098598
  H     12.06593782      8.22607005    -12.54525795
  O     15.28410883      9.17927595    -12.03365036
  H     14.75201902      5.21270721    -14.41569506
  H     10.99350010      7.01248182    -15.04957658
  O     18.38689279      8.34143902    -15.34590761
  H     15.07583403      9.72742176    -13.69663848
  H     11.91969938      7.48694430    -16.18442547
  O     10.96028970      5.65143071    -13.67197999
  H     15.22251479     11.00159910    -14.55040353
  H     17.13716990     10.80989363     -9.90268113
  O     18.07614445      6.42504086    -13.23196479
  H     12.43166164      4.90210628    -14.64600309
  H     17.17589773     11.73594834     -8.66554348
  O     11.95709810      7.51739096    -11.89348238
  H     13.21298787      5.28087342    -15.91869782
  H     15.31750510      8.72242331    -15.52729405
  O     11.21095071      7.77713787    -15.59673160
  H     15.23281382      8.44499923     -8.83336068
  H     16.63153404      7.99665659    -15.87838291
  O     16.58872743     11.35778078     -9.31555559
  H     15.27616161      9.99275388     -8.81736223
  H     16.23028090     13.39588768    -14.34784634
  O     15.67092810      7.91244852    -15.92498264
  H     15.57019814      6.65810984    -10.06496071
  H     15.85683950     12.58032836    -13.08862981
  O     16.19814349     12.50953781    -13.99863185
  H     17.02952582      6.97720930     -9.70226799
  H     16.93071620      9.52198843    -11.47482124
  O     17.82032137      9.72988559    -11.14357271
  H     13.06159270      9.03879297     -9.14563956
  H     18.23193424      8.88573823    -10.91997739
          69
 Energy    -251.58222381081180     
  O     13.67527905      2.14534561    -14.15021407
  H     12.91914661      1.62783501    -13.88601597
  H     16.60674338      4.42197639    -16.12300290
  O     19.83812177      7.32696761    -18.59032809
  H     13.33747177      2.89294478    -14.67340471
  H     17.17779289      4.46907406    -18.57228621
  O     15.19142074      6.13148793    -12.10719040
  H     19.45184112      8.18935343    -18.39080553
  H     17.18550235      5.24876555    -19.90796118
  O     12.59372624      4.83659919    -18.35038693
  H     19.87513798      6.85560653    -17.74865535
  H     15.52240116      4.37739771    -12.58804226
  O     19.80622877      5.35654726    -13.37853007
  H     15.07344679      6.47742196    -11.22603319
  H     15.06625041      3.02580027    -13.24231236
  O     16.54189282      8.47805432    -19.75906130
  H     16.02214510      6.51287329    -12.44576269
  H     13.89882905      3.35667209    -18.47531985
  O     15.13218871      7.32017264    -15.99243076
  H     11.86533059      5.00230446    -18.94291668
  H     15.37075745      3.38129733    -18.89764084
  O     18.08025717      4.01874796    -17.13431319
  H     13.24948819      5.53623384    -18.51174928
  H     19.71612414      5.88583288    -15.15477930
  O     15.57526349      1.39177789    -16.24915204
  H     19.37670535      4.48183064    -13.39436281
  H     18.80184384      6.87584684    -15.91224454
  O     18.50937572      3.00253380    -13.47972158
  H     20.55573499      5.28589096    -12.79393221
  H     16.73505741      8.04913945    -15.78295899
  O     18.26958630      9.65897422    -18.01983589
  H     17.09986813      7.84091525    -20.22333768
  H     17.90662182      8.87344785    -16.36694218
  O     15.90379343      4.75470940    -15.55353140
  H     15.77668677      7.97962311    -19.44818516
  H     13.00950084      5.95647915    -14.53893083
  O     16.61362256      4.75750480    -19.30648658
  H     14.39081372      7.39152021    -15.37691280
  H     13.80994842      6.57492885    -13.37487242
  O     15.83332408      3.56117549    -13.00287115
  H     15.50578306      6.43779737    -15.83167592
  H     14.11224180      4.46681747    -15.71819430
  O     14.70311368      2.82711301    -18.47297260
  H     18.29586575      3.16116200    -16.74858528
  H     12.79786186      4.50317484    -16.53208025
  O     19.43870993      6.15674328    -16.03854279
  H     18.64428863      4.70037347    -16.74207911
  H     18.63323658      0.69622129    -16.14760251
  O     17.66490689      8.28448012    -15.64227008
  H     14.92952974      1.54083080    -15.55228197
  H     17.27282331      1.42140012    -16.00530748
  O     13.20388343      6.79192655    -14.09484541
  H     15.24521107      1.84576899    -17.03945754
  H     14.79986389      6.94971898    -17.72753699
  O     13.15050381      4.35849487    -15.64605473
  H     17.59201824      3.11492297    -13.19360717
  H     15.35159001      5.97949711    -18.82867522
  O     18.23600070      1.52218834    -15.88625553
  H     18.48127927      2.42642057    -14.25268337
  H     18.31800942      6.51723983    -13.08416870
  O     14.66139524      6.63188997    -18.63216061
  H     17.59677707      9.30515722    -18.62903363
  H     17.59680556      7.63600427    -13.85946813
  O     17.53879497      7.08577623    -13.06840934
  H     18.38855726     10.57761288    -18.24520045
  H     18.94852831      6.71662133    -19.96792017
  O     18.35400584      6.46970566    -20.69939618
  H     16.02739738      4.36640072    -14.67918502
  H     18.89323179      6.40391636    -21.48263855
          69
 Energy    -251.58198255899299     
  O     -8.17359253     -2.67377964      5.66981656
  H     -7.41406568     -2.19588687      6.02401774
  H     -2.96781677      1.23314829      2.29050853
  O    -10.03725175     -2.82519508      2.32160717
  H     -8.82614420     -2.01308536      5.40262474
  H     -6.95713967     -0.87637623      2.91101134
  O     -7.90029114     -4.31096799      3.53441613
  H     -9.39165715     -3.46112340      2.65069239
  H     -7.47483976      0.53650794      2.47532773
  O     -5.36652236      0.65604837      0.26738942
  H    -10.13866207     -2.17634335      3.03125318
  H     -5.28078211     -1.58058635      7.28545850
  O     -6.83371240      1.14247701      5.59474505
  H     -7.99123466     -3.78979445      4.35361338
  H     -5.25797697     -1.35483100      5.75530551
  O     -5.00939445      5.23589176      1.07854930
  H     -7.86405216     -5.22744447      3.79320661
  H     -0.84512823      2.67971955      1.73741324
  O    -10.36210734      1.39020976      1.06527579
  H     -5.67180359     -0.20376349     -0.04268374
  H     -2.16220174      3.30649680      2.25736265
  O     -4.38045297     -1.45012585      4.25342649
  H     -6.16631207      1.14170366      0.52328080
  H     -8.16211535      2.40802819      5.15090318
  O     -3.92317481      3.05647234     -0.14480345
  H     -7.01754143      0.72795544      4.73534254
  H     -8.19858771      3.49153299      4.05165986
  O     -9.83664806     -0.82386538      4.30624675
  H     -6.51523132      0.42264972      6.15061249
  H    -10.19955802      2.22305115      4.09771444
  O     -6.65330741     -1.79872933     -0.33128736
  H     -4.98484140      5.98417539      0.48838053
  H    -11.73811407      2.11217128      4.21767589
  O     -3.74266885      0.72780433      2.56632145
  H     -4.66631726      4.47355898      0.57834902
  H     -6.74480144     -3.16734297      2.67064504
  O     -7.42406626     -0.08626278      3.20987238
  H    -11.07593878      1.73806012      0.53548869
  H     -6.28158151     -2.36363203      1.40905083
  O     -5.81715843     -1.29336700      6.55155377
  H    -10.63231384      1.48510215      1.99217336
  H     -9.62548039     -0.34900158      0.47684833
  O     -1.79321346      2.58599683      1.71516854
  H     -4.90217030     -1.94436803      3.60625039
  H     -9.53547795     -1.81964721      0.92966440
  O     -8.75849580      2.97782182      4.64665649
  H     -4.02900957     -0.69747915      3.76151264
  H     -3.72191644      4.90637628      2.51037536
  O    -10.98345241      1.75057043      3.76069875
  H     -3.10707434      2.88102605      0.34020949
  H     -3.68824445      3.94356522      3.71173956
  O     -6.16853478     -2.45493801      2.36288766
  H     -4.40103480      2.21732186     -0.16537508
  H     -5.47726932      2.16115679      4.88940360
  O     -9.20605371     -1.18871619      0.27056840
  H     -8.99289836     -0.58736472      3.88757309
  H     -4.52252666      1.93065147      3.68977756
  O     -3.12487178      4.48376076      3.13978708
  H    -10.37602136     -0.02928495      4.25654672
  H     -7.41581086      2.66844030      1.74486703
  O     -4.90243552      2.61472743      4.25996101
  H     -6.64618606     -2.32133322     -1.12845013
  H     -8.56369532      1.83112834      1.07890954
  O     -7.61114063      1.87913539      1.22049060
  H     -7.58305829     -1.55587149     -0.16294973
  H     -6.15672832      3.52825090      3.34615678
  O     -6.82535947      3.98862492      2.81534047
  H     -4.30150314      0.62564973      1.78340171
  H     -6.33196603      4.55570227      2.20979773
          69
 Energy    -251.58000673431354     
  O     15.70762517     10.76300951    -14.72356529
  H     16.04204896     10.85337501    -13.81750973
  H     15.62703679      4.71988991    -15.00076732
  O     15.00262720      4.98405644    -16.72078966
  H     16.35313417     10.25232451    -15.22688642
  H     14.19281005      9.28846259    -10.19795169
  O     12.67542767      7.42453128    -12.12037335
  H     15.11670031      5.92065363    -16.96375327
  H     13.67535478      7.94370668    -10.73631242
  O     15.12312694      5.89525369     -8.95509610
  H     15.18108074      4.47599479    -17.50780334
  H     15.19774490      7.81562740    -14.07847574
  O     12.43232954      4.94703809    -15.43765017
  H     13.31338000      7.78839113    -12.75689512
  H     14.65217836      9.23831932    -14.23194198
  O     13.32235760     11.68657819    -15.58662116
  H     11.81901659      7.78441590    -12.37616365
  H     17.40097688      8.29987674    -15.22247515
  O     15.35561753      7.58845216    -17.35454465
  H     16.07443289      5.91010085     -9.11759538
  H     18.39917898      8.98485894    -16.18765973
  O     17.83346844      5.82980425     -9.91855948
  H     14.79606013      6.77030382     -9.20152043
  H      9.61228019      8.65763453    -13.57583708
  O     13.19596443      9.36443761    -17.33799269
  H     12.65019402      4.74284303    -14.51911842
  H     10.97772913      8.35142527    -14.23742828
  O     14.25709732      3.70375348    -10.30743784
  H     13.25995928      4.87937473    -15.93076313
  H     11.65121739     10.26063271    -13.14074202
  O     16.83499385      3.90518072    -11.55172860
  H     13.35932159     12.56890165    -15.94800223
  H     12.56772790     11.24697216    -13.89824500
  O     15.81880233      4.73948369    -14.05428796
  H     14.23076469     11.45443438    -15.32193426
  H     13.06101438      5.68330131    -12.48780703
  O     14.32228268      8.33468831    -10.13012375
  H     14.63025067      8.22371558    -17.43767918
  H     13.56800860      4.33710808    -11.91396131
  O     14.38161123      8.32892696    -14.06250459
  H     16.10388144      8.07770392    -16.99723511
  H     12.90184240      7.89882421    -15.08904325
  O     17.47634304      8.94141117    -15.95132813
  H     18.64623542      5.54322993     -9.51148663
  H     12.04149148      6.69022028    -15.52806819
  O     10.55379427      8.73322877    -13.44792099
  H     17.55826835      5.12230213    -10.52938924
  H     13.33567328     11.01283868    -11.59690251
  O     12.31580619     10.94839862    -13.01599470
  H     13.18774861     10.19124629    -16.84347758
  H     13.64157108     11.79454053    -10.29954743
  O     13.36565198      4.79952228    -12.73675485
  H     12.60604608      8.77138872    -16.85247148
  H     16.99027744      7.50995998    -12.98102952
  O     12.03874398      7.65558219    -15.45645882
  H     14.49457829      4.48491406     -9.77610730
  H     16.67809462      6.30451424    -13.93550455
  O     13.92050583     11.04479723    -10.81894804
  H     13.90643390      3.05520454     -9.70302536
  H     15.64160340     10.94707398    -11.61518303
  O     16.96697628      7.22683793    -13.90618239
  H     15.99194072      3.67632479    -11.14014463
  H     16.76789901      9.91072788    -11.80066620
  O     16.45381874     10.77057102    -12.10719368
  H     16.63359209      4.08442265    -12.47896933
  H     15.98448357      8.14206590    -10.90291123
  O     16.87345810      8.07439893    -11.27928764
  H     14.96311064      4.77330205    -13.60102376
  H     17.32859442      7.38328632    -10.78185286
          69
 Energy    -251.57819531575819     
  O     18.13712163      4.63905795    -10.83600893
  H     17.32270936      4.16370093    -11.06027506
  H     16.42818329      9.03901650    -15.06994078
  O     17.54681713     10.21113785    -14.13212442
  H     17.96740219      5.11154797    -10.01533185
  H     13.35380929      4.72170919    -13.18229829
  O     13.13476516      7.65043605    -12.03920648
  H     18.13459627     10.86992003    -14.49190007
  H     11.92117346      5.20848661    -13.48067668
  O     11.27380546      5.64033103    -15.10240405
  H     18.08885095      9.62847595    -13.56952634
  H     16.42815956      7.62263865    -11.18984338
  O     15.30728022     10.70125687    -12.43590649
  H     14.09075076      7.54876098    -11.90846673
  H     15.48010796      6.45828710    -10.83462320
  O     17.60694763      8.54131566    -10.06358237
  H     12.80764915      6.77232659    -12.27255203
  H     20.08487258      5.30683842    -13.20781761
  O     18.95263372      8.59108343    -12.50005081
  H     11.90900268      5.18252347    -15.66770593
  H     18.92755165      5.36372122    -12.18209363
  O     13.47981226      4.52843034    -16.60766018
  H     11.29598589      6.56343597    -15.38207116
  H     14.10934164      9.02831591     -9.38486036
  O     17.39455700      6.20164723     -8.48684620
  H     16.09965474     10.61205650    -12.97992664
  H     13.13122293      8.17339722    -10.20944788
  O     11.66547453      8.35883203    -15.99902845
  H     14.57525025     10.40754189    -12.99012845
  H     14.27334870      6.72661214     -9.08777140
  O     13.99616179      7.13745559    -17.12862987
  H     16.93068771      9.18346747     -9.80903344
  H     14.18105916      5.20183836     -9.43348095
  O     15.81000177      8.34668744    -15.33393376
  H     17.61078811      7.82571207     -9.41455630
  H     13.24987253      8.76270275    -13.40720124
  O     12.53524960      5.01756271    -12.75712677
  H     18.61817618      8.63104012    -11.59344704
  H     14.26317372      8.98073546    -14.57338715
  O     15.76783390      7.02540609    -11.56145499
  H     19.15722478      7.66480625    -12.67416150
  H     15.41341381     11.18426160     -9.33179911
  O     19.30244392      5.79682835    -12.97159648
  H     13.72730133      5.43995974    -16.84658379
  H     15.38323918     10.49458220    -10.71540257
  O     13.47743082      8.30204016     -9.31568924
  H     13.44842675      4.03048688    -17.42014272
  H     12.50343364      3.31436163    -10.01489754
  O     14.78006426      5.90086446     -9.14653292
  H     17.60534550      5.92912082     -7.59755238
  H     12.82470883      4.30749126    -11.15368377
  O     13.45933659      9.33370205    -14.16331560
  H     16.44320367      6.03831884     -8.61350191
  H     17.64220894      5.95254832    -13.81384722
  O     15.46576538     10.33245168     -9.75778199
  H     12.22520102      8.79814441    -15.33687573
  H     16.35447927      6.41872518    -13.10332962
  O     13.15877887      3.93702415    -10.31899131
  H     11.04284194      9.01207141    -16.30771139
  H     15.47237772      3.50518361    -12.48684841
  O     16.70521744      6.12609941    -13.96042197
  H     13.17807396      7.59298027    -16.89331825
  H     14.91682718      3.44090499    -11.05833831
  O     15.73723870      3.41984903    -11.56190215
  H     14.70006610      7.58725082    -16.64310565
  H     14.38150299      4.15884727    -15.01794233
  O     14.79388203      4.16051604    -14.14514278
  H     16.13207522      7.53247428    -14.92007930
  H     15.49940449      4.82392447    -14.17345778
          69
 Energy    -251.57510060098369     
  O     11.23664352      9.40003771    -12.56564926
  H     11.51315911     10.18549869    -12.08063998
  H     15.83752962      8.39253039    -16.65328453
  O     16.51616069      8.15743657    -15.04634259
  H     11.41563806      9.58776146    -13.49747904
  H     18.33821818     10.56201513    -14.48000147
  O     17.18766739     10.70481013    -11.45691244
  H     16.31554646      7.42987240    -14.44037719
  H     17.95130108     10.11922249    -13.04211957
  O     16.12359979     12.43528925    -13.39064308
  H     17.25466928      8.65816049    -14.67434939
  H     14.38148804     13.04115291    -13.32431498
  O     12.76413011      7.75544155    -16.64520175
  H     16.27581476     10.45127969    -11.25111496
  H     13.19368773     12.97056556    -14.29938499
  O     17.07916181      6.81557515     -9.82143712
  H     17.74823034     10.23569382    -10.82660221
  H     15.16169778     10.83269546    -13.89454170
  O     15.89168189      6.23508403    -13.19474020
  H     16.56541037     12.02204225    -12.63658292
  H     15.30613936      9.33931408    -14.32751137
  O     14.52201786      9.98065277    -11.18364972
  H     16.75828347     12.45308195    -14.11754026
  H     11.67615025      7.76186278    -12.18038298
  O     17.82841790     12.00226562    -15.58538615
  H     12.95099392      7.11657078    -15.93947226
  H     11.18141518      6.36573317    -11.73855561
  O     18.33353035      5.48884534    -12.04149896
  H     13.61486968      7.99646037    -17.02800484
  H     19.36190453      8.50553837    -12.92385018
  O     15.54804005     11.42605078    -16.89720708
  H     16.14887930      6.89185517    -10.07148140
  H     19.47357875      8.28620849    -11.40458004
  O     15.39521761      8.64335372    -17.48284820
  H     17.48277703      6.22691814    -10.47116612
  H     12.79549654      6.34184364    -13.67044469
  O     18.37824660      9.82350449    -13.85976120
  H     16.71524058      5.85142269    -12.86965723
  H     14.22340490      6.00740644    -14.12111395
  O     13.41761664     13.10866541    -13.37189781
  H     15.43373472      6.59972887    -12.42399041
  H     18.07760756      8.23989406     -9.73485293
  O     14.71918182      9.97461584    -13.89997161
  H     13.79304727     10.58423137    -10.99992430
  H     19.10487264      9.09822559     -8.95735279
  O     11.96066012      6.84740779    -12.00346059
  H     14.52693434      9.87108279    -12.14915304
  H     12.29722125     12.73670303    -16.70797395
  O     19.63889060      7.86416637    -12.25730731
  H     17.03435786     11.80015397    -16.11431335
  H     12.57793144     11.50200997    -15.81985507
  O     13.32758571      6.14424614    -14.45038656
  H     18.36922310     12.58573994    -16.11045127
  H     14.53493087      8.19981944    -10.91503610
  O     18.67860056      9.00401560     -9.80480845
  H     18.85623719      6.29906740    -12.17969265
  H     13.63148620      6.98486277    -11.20581224
  O     12.93782769     12.35885781    -16.11057850
  H     18.93929771      4.75511248    -12.09794028
  H     11.87287042     12.34512095    -10.71703861
  O     14.53010358      7.23251359    -10.95260396
  H     14.67920682     11.77981901    -16.67403613
  H     12.67481462     12.25660202    -12.03530486
  O     12.33214231     11.73487230    -11.28757535
  H     15.41603554     10.51125805    -17.17656632
  H     12.27465081      9.17208306    -15.71247439
  O     12.24440560      9.93494578    -15.11562655
  H     15.84775733      8.18155751    -18.18478065
  H     13.08928528      9.93484625    -14.63875839
          69
 Energy    -251.56720661257822     
  O     -1.42132310     -1.27413984      2.85844066
  H     -1.41814747     -0.81032216      2.01064377
  H      0.64831122      3.98645537      2.59303860
  O      0.16923203     -1.22359812      7.00461502
  H     -2.07744108     -0.81261129      3.40644909
  H      0.05605701      3.08766566      4.68283499
  O     -6.31691499      1.71023160      3.02507922
  H     -0.54138796     -1.86670315      6.82810439
  H     -0.20364290      1.58007771      4.89323631
  O     -5.35571960     -0.92811286      2.76854083
  H      0.77156632     -1.63701749      7.61699067
  H      0.31009567      2.99231119      0.59860463
  O     -1.57730214      0.36703341      0.63795515
  H     -6.03853800      2.00857493      3.89690825
  H     -1.04857089      3.56585288      1.04225720
  O     -4.35131311     -0.33408955      0.25836966
  H     -6.16583311      0.75476205      2.99882485
  H     -0.91188456      0.29521875      7.39352937
  O     -1.84896103     -2.91185865      6.44412206
  H     -4.62426370     -0.55987366      3.28700979
  H     -1.15938296      1.68132594      6.77404378
  O     -4.57994110     -2.31646551      7.05507941
  H     -5.07364905     -0.87305871      1.84381421
  H      1.91476509      2.29484736      2.99412711
  O     -4.93286213     -3.06919353      4.49069893
  H     -0.67655462      0.57507857      0.36044867
  H      1.66099438      0.81269000      3.32602493
  O     -2.73163853      2.84056716      1.28341163
  H     -1.97884385      1.21192669      0.88895444
  H     -3.49046221      0.12850739      5.15594049
  O      1.05463262      1.25447157      0.17146564
  H     -4.71762416      0.55748217      0.20262757
  H     -3.16085334      1.09341743      3.99521504
  O      1.10659692      3.99986148      3.45287841
  H     -3.39265922     -0.22612806      0.24345387
  H     -5.75571716      2.19266145      1.43410483
  O     -0.51173497      2.46149444      5.15017042
  H     -1.93433496     -3.28161065      5.55676951
  H     -6.07340061      2.76742427      0.03389783
  O     -0.09913972      3.74930133      1.03479510
  H     -2.74650005     -2.73899721      6.75151671
  H     -3.20869047      0.63987574      7.18230450
  O     -1.51018309      1.05229355      7.41726283
  H     -5.13476955     -2.83406986      7.63242752
  H     -4.30482302     -0.48756561      7.05864050
  O      2.08343564      1.39765654      2.68216999
  H     -4.79075219     -2.59018514      6.14312560
  H     -5.76249218      3.12871959      6.22965531
  O     -3.25804651      0.15960464      4.22033930
  H     -5.24065555     -2.41896381      3.84403060
  H     -4.93741716      1.82672940      6.12488158
  O     -5.38410104      2.35720799      0.54902655
  H     -4.08520862     -3.39114671      4.16122404
  H     -1.90460321     -2.90944381      3.33599178
  O     -4.10358289      0.43601387      6.86472247
  H     -2.82589489      2.95258606      2.24131301
  H     -1.92496695     -4.44971579      3.20395754
  O     -5.26563818      2.58968209      5.61923281
  H     -3.62608846      2.78396885      0.92601957
  H     -0.09209168     -0.55812812      3.89257940
  O     -2.23720535     -3.72748713      3.74290170
  H      1.47423025      1.24183289      1.05053509
  H      0.50070128     -0.50490839      5.33098806
  O      0.50903505     -0.06833576      4.47017895
  H      1.74401672      1.08573152     -0.46492999
  H     -3.71368106      3.00144069      4.61845709
  O     -2.97465139      2.93030560      4.00232479
  H      1.56726714      4.83278187      3.50531170
  H     -2.14681376      2.85375493      4.49960018
          69
 Energy    -251.56708598605084     
  O     -5.86257810      1.40419461     -1.23006287
  H     -4.92273563      1.41254241     -0.99073337
  H     -5.37826672     -0.81416087      1.03501609
  O     -3.06054564      3.45581317     -3.46352299
  H     -6.32549467      1.12341977     -0.43285854
  H     -1.30470369      3.63319126      1.45859947
  O     -6.62738954      0.59261815      1.35377373
  H     -3.11602933      2.59955735     -3.90401821
  H      0.12886547      3.68160306      2.08540506
  O     -2.50452845      0.02616663      1.92769813
  H     -2.15990092      3.53732790     -3.13194318
  H     -2.68633362      3.01734058     -0.16745479
  O      0.17325198      0.96226176     -1.46734162
  H     -7.45082429      0.54496697      1.83169867
  H     -3.14939918      4.44246326      0.22843342
  O     -3.33217317      0.83138504     -4.61795899
  H     -6.14972417      1.37073879      1.69476899
  H      3.70045018      0.88783461      1.68558565
  O     -3.98916732     -2.20879063     -1.65770698
  H     -2.69056668      0.68616168      2.60769646
  H      2.96762633      1.42651429      0.43307801
  O     -2.03339492     -0.34759722     -2.44664972
  H     -1.55521011      0.07994016      1.75050652
  H      2.27617400      3.12322587      1.61221813
  O     -0.54633296      3.61776160     -1.98327896
  H     -0.48717003      0.38566702     -1.87326171
  H      1.88437986      4.25562416      0.64430955
  O      0.10547200      0.81264162      1.34293502
  H      0.08926432      0.86414216     -0.50877815
  H     -5.71623806      0.28188098     -2.67065962
  O      2.82562103      1.82901182     -1.26359663
  H     -4.14452846      0.43984434     -4.24802628
  H     -5.03376567     -1.08477405     -2.83276002
  O     -4.65183007     -1.42347536      0.85522967
  H     -3.37228978      0.71053889     -5.56282509
  H     -2.05503687      2.70791626      3.23022211
  O     -0.76881041      3.34188458      2.21197036
  H     -4.01418481     -3.16177239     -1.67832935
  H     -2.70647117      2.35562577      4.58791647
  O     -2.36651046      3.90165737      0.07356123
  H     -4.25426057     -1.94405022     -0.75893399
  H     -2.74637638      0.82383634     -1.18647501
  O      2.88429235      1.28375101      1.39338520
  H     -2.61720624     -1.07514763     -2.19472221
  H     -3.03343681      0.85941460      0.34155259
  O      1.80640601      3.96456779      1.56159255
  H     -2.37949475      0.02650102     -3.26867324
  H     -5.23010071      5.91739328      0.59678984
  O     -5.40027334     -0.34723589     -3.33525124
  H     -1.16580428      3.84770799     -1.27471505
  H     -5.09061985      4.74156285     -0.40219998
  O     -2.81490053      2.26357805      3.64468327
  H     -0.31960499      2.68360276     -1.86442900
  H     -4.54618920      3.93734532     -2.51245590
  O     -3.16799415      1.33762273     -0.48669490
  H     -0.19868397      1.68394218      1.63663523
  H     -5.68521558      3.17788920     -1.79468936
  O     -4.87173677      5.03979070      0.50140778
  H      1.06349893      0.81152043      1.46232411
  H     -5.14043822      3.55204192      1.65770140
  O     -5.32166943      4.06007155     -1.94544451
  H      1.97860306      1.42384673     -1.49954762
  H     -4.43099945      2.67291579      2.71987582
  O     -5.23650722      2.75755384      2.19698142
  H      2.68706434      2.78033378     -1.35016450
  H      1.04727515      4.31670621     -1.56996198
  O      1.93367621      4.55584549     -1.25068195
  H     -3.88964623     -1.07592972      1.33744253
  H      2.19560194      5.33712181     -1.73099531
          69
 Energy    -251.56563248052765     
  O     -0.68020357     -0.83133934      3.05624292
  H     -0.69497663     -0.46898818      2.16158014
  H     -0.03851763      4.51884921      2.55062793
  O     -0.15293680     -0.61473139      7.26132936
  H     -1.52514108     -0.58415843      3.46468265
  H     -0.63069391      3.64345249      4.65232391
  O     -6.21306397      0.41935100      2.69657960
  H     -0.77329067     -1.29777916      6.94649545
  H     -0.52470311      2.14372430      5.01183497
  O     -4.94404776     -1.89660507      3.74434033
  H      0.37089099     -1.01691373      7.94877691
  H      0.17265580      3.34956812      0.65089365
  O     -3.68406326     -3.51741843      1.86171746
  H     -6.14222161      1.05198919      3.42063843
  H     -1.34612489      3.56850942      0.79817252
  O     -0.93842994      0.37499141      0.56808094
  H     -5.95133560     -0.43744506      3.05796059
  H     -1.35910488      0.81874755      7.45662258
  O     -3.16645114     -1.35717079      0.31705956
  H     -4.24296564     -1.22617603      3.78699659
  H     -1.72204102      2.13662584      6.73526786
  O     -1.92044100     -2.44392418      6.37082097
  H     -4.63685508     -2.55962090      3.11319387
  H      1.54476167      3.23733310      3.30295642
  O     -4.79796306     -2.22725807      6.47922222
  H     -3.46823522     -2.76937188      1.27526505
  H      1.65784440      1.77780051      3.78532600
  O     -2.83554830      2.41196114      0.86440833
  H     -3.84278600     -4.26933677      1.29783167
  H     -3.31007406      0.17022480      5.03881468
  O      1.42431432      1.88970083      0.50323123
  H     -0.08002998      0.79689068      0.43885263
  H     -3.15924359      0.93959520      3.71684595
  O      0.29141388      4.71120137      3.44675622
  H     -1.57935570      1.09275328      0.67761535
  H     -5.50822212      0.68293412      1.12069049
  O     -1.08820564      2.92576687      5.10902421
  H     -3.84861783     -0.67915603      0.24170668
  H     -5.75531704      0.88473882     -0.39196107
  O     -0.48889790      3.98942795      0.94217298
  H     -2.32328060     -0.88768675      0.29509532
  H     -3.61588013      0.87512657      7.01719157
  O     -2.03277133      1.50864121      7.39989813
  H     -1.76792986     -2.85415659      5.50609825
  H     -4.56071108     -0.36909499      6.75705187
  O      1.97616235      2.39553366      3.11321167
  H     -2.87254524     -2.44948727      6.50657754
  H     -6.38498172      2.77043875      5.36442546
  O     -3.04993425      0.06731238      4.11550993
  H     -5.40494855     -2.87179106      6.83376505
  H     -5.33547521      1.64834964      5.55021220
  O     -5.06589639      0.78814986      0.25996420
  H     -4.93879898     -2.20702142      5.51727175
  H     -1.06913857     -2.59930502      3.46807329
  O     -4.42029362      0.56589720      6.57018765
  H     -3.02430605      2.62404560      1.79175544
  H     -2.23634159     -3.54728166      3.16250593
  O     -5.74840001      2.23814560      4.89459620
  H     -3.61642043      1.95294949      0.53275335
  H      0.25599941      0.12451054      4.22136296
  O     -1.53106649     -3.38320865      3.79776670
  H      1.68366496      2.01066055      1.43443749
  H      0.49851818      0.26019450      5.74389929
  O      0.62001007      0.71249220      4.90079978
  H      2.23023348      1.86480841     -0.00526063
  H     -4.17807300      2.77379196      4.01037613
  O     -3.34866412      2.77559301      3.51718538
  H      0.52591201      5.63512089      3.46044319
  H     -2.61357972      2.89507927      4.13680400
          69
 Energy    -251.56176404242441     
  O     16.39488841     10.58453221    -10.62531408
  H     17.21412532     10.16747995    -10.92428324
  H     13.59590279     10.05918356     -6.93842115
  O     14.64391302      5.16015989     -7.04613334
  H     15.69569778     10.30964533    -11.23365175
  H     16.88735456      5.91655222    -13.55400201
  O     12.42277208      6.90140559     -7.62876842
  H     15.01077819      5.84878558     -6.46266927
  H     18.09754626      5.00116062    -13.85719816
  O     14.40860586      9.57278847    -12.24646049
  H     14.65020004      4.34803351     -6.54698942
  H     15.30189892      5.61941434     -8.74806474
  O     18.68453251      9.19062779    -11.27027393
  H     12.79396219      7.70977562     -7.24700727
  H     15.63391075      7.04672428     -9.23278534
  O     20.26084080     10.04455009     -9.09697476
  H     13.06502128      6.20635627     -7.44751522
  H     18.18319310      7.60899679    -13.85663331
  O     18.10066270      6.52436289    -10.66738097
  H     14.25119470      8.65451034    -11.98279862
  H     18.43342008      8.92131930    -13.09741303
  O     11.56550707      7.64882675    -10.06542921
  H     14.74641049      9.54101555    -13.14979141
  H     18.79980643     11.77454416     -6.45465649
  O     16.27176129     12.02774397     -8.28952018
  H     19.30442061      9.52206676    -10.61020339
  H     17.73270078     11.51096041     -7.54128543
  O     12.66757136     10.30407229    -10.13195994
  H     18.46091077      8.28064717    -11.02277479
  H     16.55067243      9.00040221    -14.49478775
  O     13.43432524     11.69766104     -7.91837901
  H     19.69461090     10.48277086     -8.44276514
  H     15.60837697      9.52923353    -15.60254193
  O     13.85172049      9.14415554     -6.78289756
  H     21.09959835     10.49996702     -9.08288111
  H     16.55583090      8.62398279     -8.01943800
  O     17.83320326      5.77503920    -13.36719556
  H     17.25003923      6.29376631    -10.26863069
  H     16.01539550      9.36616481     -9.29265811
  O     15.58970143      6.11897328     -9.52065555
  H     18.08759963      6.17554763    -11.56769987
  H     16.41585876      7.60661772     -5.80368687
  O     18.15484963      8.56908560    -13.95318408
  H     10.64290977      7.43099249    -10.16641792
  H     14.91751551      7.94716419     -5.72163775
  O     18.56793746     11.17968626     -7.16321389
  H     11.83346800      7.33795351     -9.18154956
  H     14.43625386      6.55038849    -10.85261308
  O     15.61589284      9.12595773    -14.73893878
  H     15.33793983     11.97869698     -8.05652161
  H     13.00163196      7.08998699    -11.09952092
  O     15.83040113      8.66396528     -8.65852774
  H     16.32968728     11.68120095     -9.19269493
  H     19.20431291      6.90198023     -9.16933385
  O     15.55704019      7.24375283     -5.54826711
  H     12.21417251      9.45613601    -10.05363358
  H     20.01461129      8.12603704     -8.68575704
  O     13.84999050      6.92016096    -11.52774941
  H     13.20815210     10.22962500    -10.92803958
  H     18.09873525      9.38558509     -6.70810423
  O     19.63171229      7.29034879     -8.39419846
  H     13.15703170     11.22935392     -8.72685517
  H     18.47600397      7.95709711     -7.20664345
  O     17.81126143      8.46570468     -6.71678326
  H     12.81811987     12.41539536     -7.79817737
  H     14.67019753      6.46731508    -13.12350083
  O     15.24635972      6.39409402    -13.89675742
  H     14.50372789      8.95248560     -7.47624712
  H     15.25707197      7.26916257    -14.30293690
          69
 Energy    -251.55070649468493     
  O     -6.38963998      3.38409353     -0.77165243
  H     -5.65108388      3.98263859     -0.93663334
  H     -7.86695540     -0.87557943      1.81643408
  O     -2.97534206      3.73729760     -3.40899619
  H     -6.22602556      2.98368820      0.09267475
  H     -5.36464509     -1.08394411      2.39104681
  O     -5.65340312      1.89200117      1.49079738
  H     -3.43228501      2.88650598     -3.45298534
  H     -3.92849136     -1.39687472      1.92699721
  O     -3.01100409     -1.41384191      0.33794078
  H     -2.05871048      3.53689516     -3.17718283
  H     -1.47974362      2.49755062      1.31485628
  O     -0.49643643      0.17979106     -2.20215076
  H     -4.98070688      1.85332862      2.18130351
  H     -1.93315640      1.64992417      2.52422975
  O     -4.27906447      1.24857418     -3.13264467
  H     -6.20174321      1.10020718      1.58681863
  H     -2.80232618      4.06115457     -0.33031630
  O     -4.43880611     -2.20715120     -1.92306444
  H     -2.05745400     -1.32622356      0.46134777
  H     -1.52546302      3.32157249     -0.81799620
  O     -2.63452584     -0.83864667     -3.75567654
  H     -3.30770375     -0.54064757      0.03672651
  H      3.08762722     -0.98009773      0.91211834
  O     -0.51613580      2.94486761     -2.25990398
  H     -1.18033555     -0.26999320     -2.71166646
  H      2.43847323     -0.12751639     -0.20671517
  O     -0.43845258     -0.46615222      0.53520794
  H     -0.57443506     -0.09639170     -1.27830703
  H      0.67824188      2.21502444      1.72299498
  O      2.29180056      0.53005368     -1.82984982
  H     -4.07964046      1.18362056     -2.18499650
  H      1.92073266      1.39779664      1.31284591
  O     -7.00284856     -0.55786623      1.57105603
  H     -5.23846784      1.33397710     -3.18839457
  H     -7.80993284      1.81925551     -3.13940633
  O     -4.45260028     -1.14494840      2.70080407
  H     -3.92795289     -2.14172616     -1.10367645
  H     -6.84179853      2.24661862     -2.00966474
  O     -1.17499971      1.84078500      1.95932501
  H     -3.84366046     -1.89290004     -2.61142247
  H     -3.65346147      1.44236542      4.33623869
  O     -2.12560591      3.42689586     -0.06496099
  H     -3.24385691     -0.08788692     -3.64706770
  H     -3.84409992      0.39585026      3.21262831
  O      2.36592230     -0.38506540      0.73016990
  H     -2.59691960     -1.03007263     -4.68983247
  H     -5.95620746     -1.32307494     -1.43950909
  O      1.57304888      2.29690708      1.36962042
  H      0.37023558      3.18868307     -1.96525204
  H     -6.83505182     -0.06057345     -1.67081732
  O     -7.00944889      1.56692772     -2.68784134
  H     -0.53665990      1.97714333     -2.30391664
  H     -3.11455165      1.89580833     -0.30981479
  O     -3.57546538      1.31533385      3.39392967
  H     -0.70589502      0.31180261      1.04572726
  H     -4.48841710      1.35770042      0.13977060
  O     -6.68581183     -0.80150699     -1.07460814
  H      0.50767268     -0.58419165      0.67897259
  H     -4.14951967      5.95715912     -1.44077622
  O     -3.73368072      1.16508623     -0.43147388
  H      2.32024912      1.48940880     -1.72585540
  H     -3.73760626      4.62722049     -2.11917894
  O     -4.10177842      5.01485989     -1.30224049
  H      1.39569948      0.32558596     -2.13012901
  H      1.85530850      3.02146799     -0.20348333
  O      2.01561649      3.30577551     -1.12127799
  H     -6.91363750     -0.69961137      0.60979215
  H      2.66226735      4.00522849     -1.08384364
          69
 Energy    -251.54749256690511     
  O     19.60838147     12.33113437    -19.47017037
  H     19.75220906     11.95348663    -20.33385756
  H     17.03630327     14.03706939    -19.01167074
  O     19.02920270     18.12773669    -14.51955023
  H     18.96865983     13.05830956    -19.58697617
  H     21.29912143     16.74685125    -16.88290059
  O     22.54003864     12.77978229    -15.54896229
  H     18.49557478     18.18874490    -15.32178358
  H     20.24507048     15.63505439    -16.86280708
  O     16.33605089     14.75829711    -13.32492939
  H     19.94708221     18.01879711    -14.79506035
  H     14.91898253     13.51317449    -13.51137450
  O     16.10865556     13.30409723    -17.48803587
  H     23.35083829     12.27961183    -15.58046189
  H     14.95014690     11.98284719    -13.34794233
  O     16.26425185     10.60965384    -13.05216964
  H     22.32512786     13.02616259    -16.46813623
  H     22.40102616     14.43067139    -14.56609204
  O     13.97686699     11.95312834    -16.27573655
  H     16.73544303     15.53851970    -12.92074789
  H     21.48585049     15.10215649    -13.51479448
  O     21.77930351     13.52288788    -18.02410432
  H     16.97896890     14.03866069    -13.24033528
  H     18.75474276     12.40757899    -13.77179608
  O     21.76434749     17.65422185    -15.26511491
  H     15.29793141     12.87425002    -17.18876051
  H     17.57120479     11.91422535    -12.90561924
  O     17.86237338     16.96063421    -12.39226725
  H     16.81976157     12.65627986    -17.38212432
  H     16.85122859     10.41653921    -16.30492927
  O     19.80521691     12.27661669    -15.23711259
  H     16.26517526     10.37197995    -13.99739245
  H     15.35076803     10.62110804    -16.00806043
  O     17.74767038     14.26111105    -19.62215103
  H     16.13998266      9.80021280    -12.56421256
  H     16.85524012     17.19375103    -16.47288216
  O     20.86379108     16.10004924    -17.44895600
  H     13.04765683     11.82045568    -16.44148233
  H     16.48192852     18.64225336    -16.86682201
  O     14.42028320     12.70866941    -13.70172109
  H     14.05848336     12.27221293    -15.35903427
  H     19.19498136     15.65265271    -12.51666952
  O     22.24688451     15.25595407    -14.09193174
  H     21.07579286     13.10108264    -18.53109977
  H     19.30846327     14.11417901    -12.69923133
  O     18.18462757     12.64933967    -13.02665732
  H     21.55428791     14.46191789    -17.96758142
  H     18.64492666     11.56039591    -18.06043415
  O     16.13499754     10.13848453    -15.71891201
  H     21.99963353     16.81285027    -14.83313228
  H     18.75736212     11.58102502    -16.52119230
  O     17.22371117     18.06125938    -16.71611630
  H     22.49494515     18.24958849    -15.12086463
  H     19.38089186     15.09048240    -14.72168372
  O     19.77848635     14.94902069    -12.82673741
  H     18.25748618     17.43727676    -13.14589982
  H     18.24025070     15.15057779    -15.78475847
  O     18.15305777     11.37876033    -17.24991952
  H     17.74003626     17.59907295    -11.69508769
  H     19.46197048     16.63727385    -18.54890899
  O     19.15846444     14.89276274    -15.64035595
  H     20.76926846     12.25860311    -15.24825465
  H     18.12442175     17.33461998    -18.26864067
  O     18.58720848     16.80402040    -18.92589293
  H     19.56027283     13.18037356    -15.49664706
  H     16.28718181     15.29029950    -15.05652226
  O     16.45413070     15.55820197    -15.97032237
  H     17.99465054     15.18064470    -19.44431340
  H     16.27421599     14.79812666    -16.54223128
          69
 Energy    -251.54529996929227     
  O     11.44239744      9.08636849    -14.99406953
  H     12.01431498      8.55144712    -15.56428707
  H     16.90230481      5.97882074    -14.25648543
  O     16.64528608      7.12866794    -12.96064426
  H     11.69214602     10.00198838    -15.15722370
  H     14.77628764     10.34644046    -17.59820450
  O     16.52300117     11.60386472    -12.54190422
  H     16.03388312      7.07164350    -12.21299096
  H     15.41526619     11.30641910    -16.58685459
  O     16.72249321     10.95121686    -15.26023500
  H     17.25895751      7.85419878    -12.78430938
  H     14.46348199      8.42668551    -15.13383389
  O     14.10872686      5.32482502    -15.34269064
  H     16.61959150     11.83384505    -11.60960783
  H     15.53733257      8.17658427    -14.02324164
  O     14.66683982     10.23360192     -8.99119078
  H     15.57787608     11.44496861    -12.68550797
  H     10.21888862      7.66120211    -12.48324461
  O     14.83738252      7.15169256    -10.89906141
  H     16.15778346     10.17411870    -15.10906822
  H     11.21585925      8.33376883    -13.45514349
  O     13.91227459     10.91998373    -13.15767721
  H     16.73695017     11.42716083    -14.41997713
  H     18.36459282      9.33537765    -10.74725073
  O     17.39136450      7.60862465    -16.85529629
  H     15.06549373      5.23620666    -15.28253371
  H     17.79682897     10.34316905     -9.73212476
  O     16.28927108      7.88934286     -8.61876875
  H     13.77636452      5.40839446    -14.43517216
  H     13.73456157      6.09607234    -12.06456285
  O     19.02630224      9.49745798    -15.38699184
  H     13.98637698      9.96560353     -9.62288962
  H     12.41543567      6.45672854    -12.75842239
  O     16.98055665      5.44279516    -15.06498498
  H     15.11658549      9.42270441     -8.72345299
  H     17.64731247     10.12418296    -12.62115276
  O     14.62393459     11.17331821    -17.12470521
  H     14.23460708      7.90516153    -10.97611199
  H     18.68348528      9.37163647    -13.49836575
  O     15.06265158      8.85807121    -14.51192332
  H     15.31710948      7.26645306    -10.06985392
  H     16.71785629     12.64412244     -9.16589730
  O     11.13805139      7.89077742    -12.59074909
  H     13.37145730     11.35954546    -13.82371847
  H     15.89831147     11.36721633     -9.47155748
  O     18.16641945      9.45435496     -9.80976572
  H     14.26010414     10.12385029    -13.59366441
  H     15.40023234      8.38345589    -19.17158291
  O     13.15255497      5.83495825    -12.78764837
  H     18.02928776      8.15348813    -16.38195600
  H     16.05000329      8.26148203    -17.77511447
  O     18.25177789      9.36714867    -12.63607935
  H     17.26336332      6.81572837    -16.31887067
  H     12.29834547      8.82110494    -11.48297872
  O     16.66384881     11.89848254     -9.75739649
  H     16.63889548      7.46187461     -7.84190632
  H     13.30720135      9.95469791    -11.75905824
  O     15.27927364      8.61434864    -18.25415329
  H     17.02322860      8.38569539     -9.02344064
  H     12.04123454     12.46929128    -15.80792708
  O     13.04301282      9.30009029    -11.09675347
  H     19.76211730      9.94086645    -15.80262380
  H     13.22933213     11.52800360    -16.10576807
  O     12.51867194     11.71728500    -15.46794518
  H     18.26395695     10.09992717    -15.44810261
  H     13.57287500      6.78376114    -16.12750928
  O     13.36387933      7.69163494    -16.40252346
  H     17.51300673      4.68347898    -14.84173014
  H     13.92496563      7.92072692    -17.15170752
          69
 Energy    -251.53439739212746     
  O     13.24963567      9.82444569    -16.45620837
  H     13.99521024      9.40902556    -16.90909934
  H     17.30724691     11.49148781    -16.61423543
  O     17.31802027      6.55555315    -13.47080277
  H     13.58602656     10.64561990    -16.07717894
  H     16.09887276      9.46025488    -14.20509020
  O     17.25644186     10.46156840    -11.40719212
  H     17.90741484      6.97564220    -12.83138169
  H     17.41436350      9.10789676    -14.98323110
  O     15.55963364      5.73801231    -17.28649570
  H     16.93973977      7.28810159    -13.98339669
  H     12.40351633      8.66301785    -15.49786153
  O     14.01965804      8.33320886     -9.76936667
  H     16.96644065     10.33290436    -10.49636137
  H     11.06758061      7.95696493    -15.16271618
  O     14.83816544      5.88054366    -12.54199944
  H     16.44948038     10.50006646    -11.94359813
  H     17.17676449      8.06028898     -9.18712634
  O     15.07397136     10.44358317    -13.04771568
  H     15.33160685      4.99566864    -17.83935939
  H     18.10267845      7.42248686    -10.23860815
  O     19.13975615      8.71355576    -16.01211791
  H     14.94785006      5.71858322    -16.52792840
  H     13.17684086      6.49392074    -15.15549991
  O     15.23767162      5.73773084     -9.76379294
  H     14.29790095      7.41162104     -9.69097075
  H     14.14287200      5.67577608    -14.27550007
  O     20.58491728      9.23650550    -13.78363746
  H     13.66890061      8.42562120    -10.66394546
  H     18.20912759     11.20068963    -12.86340025
  O     18.17289694      6.13630076    -16.12043854
  H     14.89804458      5.68872170    -11.59873921
  H     19.39926149     10.77062008    -13.73265313
  O     17.00458440     12.02033546    -15.86895908
  H     15.74679606      6.03100100    -12.84543460
  H     18.28278318      8.96838672    -11.68027673
  O     16.51349288      8.81935188    -14.79468405
  H     14.42305802      9.74859043    -12.87306433
  H     19.56003406      8.46629934    -12.38747544
  O     11.99298610      7.98200787    -14.93523092
  H     14.71316621     11.06098488    -13.69530043
  H     15.37606856      9.28430248     -9.20307128
  O     17.50656646      7.21158702     -9.50888297
  H     18.85637972      7.79336205    -16.13448293
  H     16.02284097     10.14110051     -8.08843082
  O     13.85262766      5.80652014    -15.18735057
  H     18.81544394      9.22193236    -16.76346136
  H     16.92095804      9.59541680    -17.88538260
  O     18.62495253     11.34392912    -13.72332969
  H     15.23382314      5.03256231     -9.12234759
  H     17.79863959     10.35796971    -18.90569897
  O     18.84503308      8.18843954    -11.80274283
  H     16.09663832      6.18988955     -9.67870022
  H     13.94028703      7.47504691    -12.54738225
  O     16.20830220      9.69937174     -8.91251059
  H     20.14696920      9.01153764    -14.62405960
  H     12.80996694      8.22704864    -13.28685084
  O     17.70333972     10.16581756    -17.97641483
  H     21.52300207      9.23680149    -13.95395283
  H     15.33767932     12.11519521    -15.47241300
  O     13.42178063      8.29328252    -12.54348130
  H     17.34309995      5.94246131    -16.57202077
  H     14.09531777     13.00462370    -15.22374153
  O     14.40051733     12.10182973    -15.20187916
  H     17.98010861      6.04998628    -15.17664505
  H     15.84516119      8.61732060    -16.41447774
  O     15.58542619      8.53167692    -17.34741999
  H     17.61553336     11.85500103    -15.13482740
  H     15.54018744      7.58302703    -17.51711184
          69
 Energy    -251.52869956701284     
  O     -2.85146895      5.05415653      4.20318931
  H     -2.97800934      4.87596701      3.25501201
  H     -4.25312670      3.13170152     -1.47301194
  O     -0.98645086      2.49543127     -2.10332982
  H     -2.82038532      6.00214111      4.30249243
  H     -3.86332641      2.32463086      5.39066838
  O     -0.98694158      0.32311773      1.61556982
  H     -0.63975412      2.83956820     -2.92230545
  H     -4.05435146      3.80398693      5.02922270
  O     -5.23349650      0.42406245      0.63048280
  H     -1.95271244      2.62224608     -2.13251077
  H     -5.80405427      4.87977004     -0.59127342
  O     -1.90824917     -2.81334336     -0.37627363
  H     -0.26054775      0.90172932      1.87443719
  H     -5.81795642      3.67652671      0.38046522
  O     -1.27306747     -0.12397509     -1.09148609
  H     -1.80366494      0.81612871      1.79201323
  H     -5.86878876      2.22170987      4.56929256
  O     -3.11100474     -1.68689034      5.03336847
  H     -5.23371993     -0.46074588      1.01752461
  H     -7.34163558      1.78563101      4.71210455
  O     -5.55503282     -0.99809948      4.10831508
  H     -4.83167698      0.33006175     -0.24238351
  H     -2.27253591      4.23162177      1.12781492
  O     -0.73450840      3.11971035      4.44524948
  H     -1.53493787     -1.99372265     -0.72626179
  H     -3.82482921      4.39911744      0.93746342
  O     -3.98980389     -0.15025156     -1.76633620
  H     -1.90040566     -2.72249878      0.58549142
  H     -6.31624077      1.78370770      1.05352007
  O     -4.93186050     -2.14386028      1.57064304
  H     -1.13012150      0.03110980     -0.14569291
  H     -6.70872090      2.43908942      2.37580172
  O     -3.68771041      2.65425958     -2.09076315
  H     -1.03809265      0.70224436     -1.53116957
  H     -2.40470318     -2.03662277      3.31306126
  O     -4.52745070      3.02689893      5.34842369
  H     -4.02352168     -1.45516135      4.77824433
  H     -1.71708610     -1.25313784      2.16845255
  O     -5.25267493      4.19596108     -0.21965595
  H     -3.17353031     -2.27111266      5.78402930
  H     -0.72443411      3.36410841     -0.43776863
  O     -6.58070563      1.71580285      4.13981608
  H     -5.58171286     -1.40914907      3.23521263
  H     -0.13469756      3.34633940      0.99725583
  O     -3.11897825      4.33912926      1.59162230
  H     -5.91475707     -0.10695272      4.02805264
  H      0.28493245      2.67153015      3.12689807
  O     -6.67670026      2.60277835      1.42650605
  H     -1.34749747      3.86344790      4.42867161
  H      1.70937026      2.43164742      2.57120583
  O     -2.22744860     -2.05235971      2.36445668
  H     -1.26192536      2.35658257      4.72111942
  H     -2.65509538      0.13647298      5.03435312
  O     -0.73546597      3.82206132      0.41106009
  H     -3.04504172     -0.16089619     -1.54950043
  H     -2.89565222      1.23090114      3.96166814
  O      0.78520879      2.36574240      2.34783477
  H     -4.28363147     -1.06833122     -1.73211243
  H     -3.55751857     -2.96485475     -0.92539145
  O     -2.58309148      1.08201902      4.86869701
  H     -4.95392469     -2.52164619      0.68300779
  H     -4.71692899     -3.66992578     -1.67161326
  O     -4.50412485     -2.90046411     -1.15051116
  H     -4.00009820     -2.13404221      1.83691293
  H     -4.02136414      1.23744288      1.72165158
  O     -3.30483100      1.61904889      2.24357482
  H     -3.97748603      1.73288183     -2.09602660
  H     -3.27244280      2.56460277      2.05160228
          69
 Energy    -251.52526480406803     
  O     10.46068767     10.45327115    -11.97510369
  H     11.41770341     10.54263596    -12.11928171
  H     17.38668378     11.66618445    -15.09001249
  O     14.39859709      7.59351497    -15.50671904
  H     10.15198415     11.29557646    -11.65167969
  H     17.14770814      8.57739552    -13.98578466
  O     17.50786096     10.07034123    -10.37007183
  H     15.05034436      7.98917355    -14.90483504
  H     16.06311580      9.35748321    -13.19338547
  O     18.77720886     10.65916089    -15.90664723
  H     14.89485070      7.27627339    -16.26987038
  H     10.53183052      8.69626030    -11.17284401
  O     12.81184918      9.80810952    -15.31312226
  H     16.93304714     10.47677995    -11.04132400
  H     11.75233267      7.79337757    -10.92073749
  O     13.38054291      6.00089707    -13.47900639
  H     17.75616272     10.76429082     -9.76475205
  H     18.01316264      4.91409522    -10.56902383
  O     15.85471479     10.99510126    -12.32104417
  H     19.64126421     10.98269250    -16.14735264
  H     17.18826267      5.67980090    -11.62961199
  O     16.65815430      9.63289330    -17.49573568
  H     18.91721624      9.86661019    -15.35883423
  H      9.87116945      5.69816581    -13.24780212
  O     18.93533401      8.42165875    -14.39842261
  H     13.30869034      8.98945810    -15.46052892
  H     10.58065679      6.79098007    -12.41293383
  O     16.23770626      6.96558687    -17.50537029
  H     11.89272294      9.55686142    -15.14106604
  H     18.79674376      7.30302091    -11.36034863
  O     17.90767091      6.05853634    -15.34685632
  H     13.64228443      6.49675487    -14.26943610
  H     18.67654322      8.83174582    -11.22362720
  O     16.59078094     12.05811001    -14.70962899
  H     12.41575781      5.99065954    -13.46404589
  H     16.19614695      6.81485394    -13.15049798
  O     16.22232701      8.55941190    -13.70816073
  H     16.13111214     11.47103898    -13.12013602
  H     15.21432075      5.62787353    -13.14908775
  O     10.78611432      7.78437699    -10.98649458
  H     14.89063659     10.93843625    -12.32248523
  H     16.40951260      8.57059547     -9.97828141
  O     17.73998026      5.78778757    -10.83593396
  H     15.92425907     10.21879092    -17.27511790
  H     16.48725040      7.04055082    -10.09880069
  O     10.57720388      6.33872019    -13.27603468
  H     17.43037353      9.99001376    -17.03986275
  H     13.89300479     10.90224849    -16.18418451
  O     19.15155525      8.13565406    -11.69467320
  H     18.73844107      7.54902964    -14.77061022
  H     14.12462735     12.03772290    -17.20440305
  O     16.14841894      5.85028974    -13.05569515
  H     19.14193757      8.31735091    -13.45694854
  H     13.58064466      7.20640531    -12.05532022
  O     15.87468510      7.76825018     -9.94014410
  H     16.42677447      7.92084975    -17.55677979
  H     14.34289172      7.81749707    -10.82792284
  O     14.57949301     11.41775984    -16.63933459
  H     16.23632777      6.63567559    -18.39964405
  H     13.31371292      9.48036425    -12.14447575
  O     13.55109026      7.89505508    -11.37967940
  H     17.30648343      5.78367873    -14.64396287
  H     13.08858588     10.19289329    -13.51967832
  O     13.16212698     10.34175914    -12.56687923
  H     17.35615561      6.27285984    -16.10980653
  H     10.38500607      8.05344973    -14.16572786
  O     10.35508526      8.97511755    -14.44985322
  H     15.89275953     11.92813687    -15.36347388
  H     10.21060195      9.49306171    -13.64812300
          69
 Energy    -251.52187362303900     
  O     17.59901000      9.73917146    -10.44510129
  H     17.14387156      9.09191907     -9.87980989
  H     14.00497428      8.29193787     -6.66212852
  O     14.45393245      5.30444227     -7.38404775
  H     17.95228107     10.40370890     -9.84358323
  H     17.54981722      6.11238652    -14.16402394
  O     18.31409147     11.28609589     -8.22690984
  H     13.69360218      5.89883891     -7.35354024
  H     17.24723347      5.24835835    -12.92693678
  O     12.49039241      7.37898836     -7.22967937
  H     14.73503774      5.27811473     -8.30849316
  H     16.17368520      5.52683991    -10.44451889
  O     15.34082436      9.91694107    -11.99343455
  H     18.60380525     12.16746726     -8.00713781
  H     14.79199119      6.21338190    -10.66506265
  O     19.17604765      7.96542860    -11.81576859
  H     17.37640276     11.23010997     -7.96887129
  H     18.83341118      7.85064522    -13.54085787
  O     21.16978870      7.59516373     -9.89454819
  H     12.45251913      7.78317593     -8.11590891
  H     19.28274279      7.87206914    -15.02032397
  O     17.84755163      5.52573942    -11.15660028
  H     11.59570659      7.34776849     -6.90284072
  H     16.82027629      8.59381896    -14.54140066
  O     12.55051098      8.56156115     -9.63461289
  H     16.18523184      9.91786579    -11.51991565
  H     15.35551398      8.12742336    -14.55983393
  O     15.66027102     11.07414764     -7.66814696
  H     15.52705215      9.70195591    -12.91903902
  H     15.93670525      7.18535727     -9.21821390
  O     13.90551556     11.05836557     -9.96093683
  H     18.64738997      8.65082564    -11.38176662
  H     15.77478741      8.26681066     -8.10244630
  O     14.88878338      8.64242239     -6.48628575
  H     19.94536284      7.81357401    -11.25187176
  H     19.45937656      8.28574831     -7.44386209
  O     16.96111211      5.42212835    -13.83312134
  H     22.11842685      7.65592120     -9.82239621
  H     19.45935171      9.75994233     -7.91617453
  O     15.31684053      5.70533622    -10.03094991
  H     20.79942819      8.13410841     -9.17192615
  H     15.54079639      5.83407591     -6.12499045
  O     18.52636686      7.73327964    -14.45626841
  H     18.20533885      6.38292928    -11.42117077
  H     15.99259401      5.76660382     -4.64609012
  O     15.91136603      8.91150907    -14.47182813
  H     18.42158418      5.23302945    -10.43400717
  H     14.02443345      7.04632218    -12.64331273
  O     16.33762786      7.97363498     -8.82915280
  H     12.90180377      8.08759111    -10.39969102
  H     14.48832186      8.26760932    -11.81274685
  O     20.00332736      8.96618653     -7.86498301
  H     12.92662047      9.44881059     -9.67684282
  H     20.25482811      5.94131111     -9.33995519
  O     16.09012696      6.27180316     -5.44839724
  H     15.05873547     11.10383720     -8.42201801
  H     19.16333541      5.70117282     -8.29204131
  O     13.99473971      7.43723871    -11.76105711
  H     15.36530250     10.33798555     -7.11599304
  H     17.66799389      7.26857979     -7.80766110
  O     19.60043171      5.29392058     -9.05194458
  H     14.38763993     10.72121360    -10.73530296
  H     17.68104782      6.61539772     -6.42046578
  O     18.26071214      6.89956800     -7.13573090
  H     13.44842124     11.84569795    -10.24818511
  H     15.34107121      5.97169768    -14.14518039
  O     14.48631233      6.40897029    -14.31255632
  H     15.35170027      7.96188900     -5.98134193
  H     14.02348823      5.87503702    -14.95206803
          69
 Energy    -251.52022388014393     
  O     19.83286610     11.05471533     -9.06966127
  H     20.14845577     11.89269404     -8.74355326
  H     16.93472604      9.71335566     -9.75994549
  O     18.12845257      5.25148638     -9.54855775
  H     20.39555742     10.81627164     -9.82987390
  H     21.41960037      9.23407901    -10.91274952
  O     17.28214620      3.90840362    -12.60999591
  H     17.24134024      4.94281185     -9.78163964
  H     20.89254537     10.11612241    -12.06413429
  O     17.72162704      6.46849881    -13.50767575
  H     18.26953914      6.08018164    -10.03457126
  H     14.87754165      8.44414259    -14.15022521
  O     21.64990566      5.29374743    -12.13865090
  H     16.62397185      3.97799229    -11.90439373
  H     16.13812206      8.93079397    -13.39258511
  O     15.60652286      4.53804476    -10.41749125
  H     18.10960130      3.66564079    -12.18079347
  H     13.32696835      6.78625985     -9.84128366
  O     20.36578813      7.12104963    -13.99776418
  H     17.50840177      5.54994138    -13.28632350
  H     13.06883363      5.70622897     -8.77455634
  O     15.31528181      6.04670779     -6.42171273
  H     16.89731734      6.95304994    -13.62844961
  H     15.16556843      8.65064871     -8.19658403
  O     21.19132416      7.47091186    -10.34540646
  H     22.40541209      4.77905165    -12.41361588
  H     16.59743824      8.05864698     -8.29993242
  O     18.52473715      7.51268096    -11.03520644
  H     21.00112923      4.66598264    -11.78409766
  H     15.28145595      7.68404772    -10.24763893
  O     20.06972410      8.43906271     -7.88472537
  H     15.32369686      5.42980239    -10.67174068
  H     15.01646582      7.54664841    -11.78249280
  O     17.56447335     10.09235663    -10.38907259
  H     15.08014375      4.29149593     -9.64707426
  H     20.27004739      8.85327332    -13.87277786
  O     21.25673026     10.15166932    -11.17144279
  H     20.84634069      6.52080544    -13.41820851
  H     20.53914434     10.21634565    -14.54793309
  O     15.49605380      8.20051958    -13.46685099
  H     19.44100708      6.83355720    -13.97376672
  H     18.58692818      7.52559802     -7.43180012
  O     12.77219253      6.57321284     -9.07840994
  H     16.21892216      6.34121432     -6.59780160
  H     17.93410039      6.26132755     -8.03162573
  O     15.94184594      8.59706421     -8.76665342
  H     14.76161845      6.83441305     -6.48682016
  H     13.22947801      7.71600916     -7.82443830
  O     14.83900048      7.14968688    -10.92190891
  H     21.55691848      6.74382199    -10.85888780
  H     12.97366365      8.80425066     -6.75198447
  O     20.14677046      9.81440642    -13.77671365
  H     20.25945768      7.52520234    -10.61340924
  H     18.29297228     10.03609388    -13.41493742
  O     17.78062367      6.98902818     -7.41359033
  H     18.25902732      7.23923508    -11.92265580
  H     17.39202802     10.25710475    -12.18125604
  O     13.65993480      8.28451281     -7.16054570
  H     18.20005432      8.40658523    -10.87476669
  H     19.87313505      2.77108579    -10.54612425
  O     17.37178595     10.09893368    -13.13650352
  H     20.59399687      8.02425070     -8.58136219
  H     19.22691449      4.16635887    -10.39609467
  O     19.73903194      3.60012428    -10.99957389
  H     19.99110046      9.36518830     -8.14219024
  H     14.58089155      4.82704452     -7.43738272
  O     14.11711413      4.23964005     -8.06115923
  H     18.28046208     10.49977924     -9.88536499
  H     13.77048777      3.51387524     -7.54940065
          69
 Energy    -251.51860671935481     
  O     10.58333311     10.00430844    -10.92487518
  H      9.86180433      9.79776328    -10.33695599
  H     14.26649311     13.42169198    -15.63037314
  O     14.69977238     10.81877048    -12.87636457
  H     11.33348312     10.27708681    -10.36598985
  H     17.66584505     11.40146404    -15.82128268
  O     16.74456653     13.86266786    -14.17809100
  H     14.61265682      9.95653740    -12.45400125
  H     18.32542698     12.27426073    -16.91488589
  O     10.79781241     11.75813004    -13.11180803
  H     15.60723872     11.12739644    -12.74342584
  H     13.58028380     13.35133738    -10.91661542
  O     11.63677636     14.95057284    -16.29738313
  H     15.84568753     14.13855035    -14.39275077
  H     13.67275255     14.21666983     -9.63847433
  O     14.76814547     12.09026212    -16.80921662
  H     17.07786203     13.42316545    -14.97075752
  H     17.74677178     10.60413843    -13.80619038
  O     15.11060127      9.22293087     -9.50950418
  H     10.61017669     11.21027407    -12.33981671
  H     17.27380203      9.33080199    -14.55254176
  O     13.20554904     13.05074878    -12.62666930
  H     11.59497670     12.26793316    -12.90916643
  H     15.50895236     12.41550981     -9.87210695
  O     14.10232678      9.83769560    -15.35154274
  H     11.20184707     15.77384195    -16.50166547
  H     15.96432761     10.95271517     -9.72095728
  O     12.71808304     10.76616331     -9.46951395
  H     10.95975522     14.36065005    -15.91960127
  H     10.95766860     10.07247469    -15.84007589
  O     10.31890035     11.03799842    -17.29367815
  H     15.73172150     12.14808131    -16.80861354
  H     11.18843275     10.47442910    -14.36573720
  O     14.01083246     14.13936050    -15.03296233
  H     14.54246635     11.24922901    -16.38674622
  H     15.24093267      8.50952699    -14.94042523
  O     17.53196713     12.17698163    -16.39545016
  H     15.44136566      8.57801683     -8.88888459
  H     15.99102332      7.16687726    -15.09686987
  O     13.81608160     13.33533330     -9.97368123
  H     14.97969994      8.75683174    -10.35203903
  H     12.11795111     13.56845485    -17.56701105
  O     17.81434980     10.12136616    -14.64399672
  H     13.44833302     13.54298184    -13.42183958
  H     13.21565056     12.49990991    -17.73705048
  O     16.28507986     11.84336693     -9.90789965
  H     13.70635737     12.21919151    -12.66463417
  H     11.44342948      8.73932925    -12.05280214
  O     11.36896228      9.78055382    -15.01707992
  H     14.34422687     10.27016781    -14.51657890
  H     11.71963712      8.57451871    -13.55630492
  O     15.88944955      7.91965197    -14.51912492
  H     13.14017256      9.74587277    -15.33536719
  H     17.06675086     11.87477164    -11.53293546
  O     12.31570728     12.73129392    -18.00413599
  H     13.50091418     10.20703647     -9.39757616
  H     17.12845130     12.60223740    -12.93362871
  O     11.96203125      8.22978051    -12.68826764
  H     13.04134099     11.67236995     -9.54507677
  H      9.84016364     12.41894940    -16.01811936
  O     17.25460232     11.75724214    -12.47488778
  H      9.80945964     10.78672028    -18.05915569
  H     10.04927245     12.71321693    -14.51960869
  O      9.84704133     13.13140041    -15.36741276
  H     11.04977343     11.59736864    -17.61361422
  H     15.11125304      7.93541698    -12.76589356
  O     14.59351230      8.16899300    -11.98641547
  H     13.24143544     14.55997510    -15.43655900
  H     13.65387256      8.08438523    -12.21928575
          69
 Energy    -251.51860555580862     
  O     12.22663044     11.02976545    -15.93513694
  H     11.68911116     10.46840857    -15.35181646
  H     17.35999928     11.37295644    -15.22276215
  O     15.76966930      8.06116848    -13.74369716
  H     12.30847754     11.89468273    -15.51630750
  H     13.79578297     10.45098706    -15.14957629
  O     15.85192915     11.65086924    -10.92139221
  H     15.30333603      8.83584443    -14.09887137
  H     15.31589330     10.80565825    -15.06389271
  O     15.61218325     13.82679412    -14.53411563
  H     16.34141744      8.39542885    -13.04020187
  H     11.18317626      9.41487779    -13.25341196
  O     13.45326637      7.24425179    -16.80824908
  H     14.99869915     11.66404120    -11.37809149
  H     11.14088795      8.42228189    -14.42684055
  O     12.72448256      8.99791703     -8.84327697
  H     16.38543331     12.35202890    -11.31581610
  H     17.23704241      7.13556498     -8.90266084
  O     13.45893151      7.05986056    -12.57696366
  H     15.96986749     13.16092337    -15.14093662
  H     15.87607061      7.32152403     -9.61518973
  O     13.52588892     11.48597140    -12.40617798
  H     14.65473131     13.73529952    -14.55558652
  H     11.20945114      5.93683844    -15.04629534
  O     16.24060510      7.14174027    -16.27845081
  H     13.36058377      8.05608601    -17.32104429
  H     12.36320238      6.84386586    -15.53883009
  O     14.23814539      6.78030121     -9.89512513
  H     14.40115269      7.11152618    -16.68450024
  H     16.68035543     13.68708506    -13.16073226
  O     18.29510124     11.09610477    -13.69512928
  H     12.27511854      9.08848522     -8.00751583
  H     17.79937033     14.30365477    -12.28870210
  O     16.67879067     11.63654768    -15.86060937
  H     13.58460162      9.44617259     -8.75004814
  H     16.71494506     10.11002478    -11.46463364
  O     14.59780058     10.32345097    -14.63002981
  H     12.86747963      6.80350810    -13.29514969
  H     17.17856312      8.72629691    -10.96030617
  O     10.98018099      9.34556648    -14.19419743
  H     14.29342991      7.33431052    -12.98282452
  H     15.82304300      9.33371293     -8.82073056
  O     16.73735194      7.74247897     -9.44176243
  H     12.96318622     10.79345600    -12.03439746
  H     15.45545773     10.72936994     -9.36171950
  O     11.76812270      6.66499462    -14.78825039
  H     13.99549553     11.07808219    -13.15170459
  H     15.25133172      9.72965811    -17.91543898
  O     17.30117297     13.50371248    -12.43273551
  H     16.16506656      7.40099240    -15.34460719
  H     16.29191943      8.79112238    -17.27801152
  O     17.18868495      9.30853985    -11.73015641
  H     16.92009901      6.47409996    -16.32531771
  H     12.16579004      9.23440708    -10.59972986
  O     15.21205123     10.07028524     -8.69754280
  H     13.95212286      6.72363492    -10.81682229
  H     12.58378559      8.53050820    -11.91056841
  O     16.18793048      9.65463219    -17.69579282
  H     13.63880769      7.40625030     -9.47082004
  H     12.93657531     12.75664876    -13.53202371
  O     12.09456757      9.28984519    -11.56074849
  H     18.10677520     11.92167214    -13.23086646
  H     12.15713560     14.00811296    -13.99693471
  O     12.73918768     13.31633772    -14.30261421
  H     18.08910339     10.39284226    -13.06810452
  H     12.91059561     10.02328564    -18.93516486
  O     13.32114912      9.77257645    -18.11110305
  H     16.65722255     10.99699476    -16.58647578
  H     12.87841054     10.28317815    -17.41287891
          69
 Energy    -251.51751652671271     
  O     -7.24678077     -2.07578541      6.11425474
  H     -7.51098064     -2.42351101      5.24418730
  H     -4.83929185      0.66491811      0.78523897
  O    -10.48069429     -1.99025187      2.73142453
  H     -6.96457481     -2.82475419      6.63260751
  H     -8.64225986      0.39019230      3.60817514
  O     -7.95617450     -2.95685886      3.64525586
  H    -11.32515493     -2.43078927      2.79205973
  H     -7.17463179      0.56139231      4.08885124
  O     -5.98852958      1.39118554     -0.44697832
  H    -10.53312445     -1.20782334      3.30824549
  H     -0.94334616      1.44615291      0.62820892
  O     -6.07252753      0.42069863      5.59153923
  H     -7.33583619     -2.62795469      2.98162529
  H     -1.90477154      2.21574323      1.56617358
  O     -4.05311622      5.17513517      1.55106160
  H     -8.83603850     -2.72696445      3.32054223
  H     -7.48743367      3.90378483      4.43343297
  O    -10.22305874      2.40269180      1.16808099
  H     -6.49981821      0.62792963     -0.73693471
  H     -8.98089383      3.46334097      4.53471889
  O     -9.30341342     -0.18098277      6.77823052
  H     -6.55503793      1.87915148      0.17243118
  H    -10.56553405      2.79692067      2.79532094
  O     -3.88741286      3.27732402     -0.39937221
  H     -6.52070374      1.00872934      6.21521102
  H    -11.41318869      3.53957831      3.85686779
  O    -10.35036200      0.22783788      4.30006898
  H     -6.34719952     -0.48093916      5.80277975
  H     -6.95572184     -0.78173671      2.33486680
  O     -7.48977916     -1.03090216     -0.67257283
  H     -4.04075795      4.54370832      0.80948315
  H     -5.54628795     -1.04865815      1.76160176
  O     -4.25572403      0.26270706      1.44605486
  H     -3.88409806      6.03659108      1.17905606
  H     -9.23401334     -0.52520493     -0.01216986
  O     -7.73332356      0.50004592      3.30398467
  H     -9.28391773      2.62772348      1.12482677
  H    -10.17597578     -0.93073647      1.14137156
  O     -1.86559755      1.60626363      0.80700932
  H    -10.27965418      1.48350735      0.86919017
  H     -7.48062336      2.64831988      7.94066380
  O     -8.18255566      3.63640738      5.04738295
  H     -8.65321436     -0.88383292      6.65356659
  H     -7.85626728      2.69735383      6.43902231
  O    -10.66619690      2.95642568      3.75221081
  H     -8.80414258      0.60596578      7.03155357
  H     -2.95333207      2.80277414      3.38524143
  O     -6.42973178     -1.43152048      1.84044476
  H     -4.62469426      2.68349805     -0.59183596
  H     -2.78256465      4.06496142      2.52214969
  O    -10.04405032     -0.27547662      0.44675175
  H     -3.14702013      2.70969245     -0.15281272
  H     -4.88536282      1.27241493      4.51472753
  O     -7.63504283      2.09945002      7.17712652
  H    -10.57383705      1.15890813      4.17981273
  H     -4.44126028      1.22322500      3.02345196
  O     -2.30083804      3.30977861      2.88138831
  H    -10.08548676      0.09160487      5.22303652
  H     -7.61254464      1.83357274      2.10378122
  O     -4.46311190      1.78287920      3.81187523
  H     -7.38957282     -1.78722868     -1.24579493
  H     -6.98341979      3.23804562      2.02014950
  O     -7.46753969      2.58189833      1.50451852
  H     -7.12053649     -1.28246359      0.19079402
  H     -5.38190397      4.61177340      2.75047617
  O     -5.97461714      4.07455901      3.29065625
  H     -3.36092288      0.54411467      1.21953212
  H     -5.46818694      3.28443367      3.53349636
          69
 Ord_Energy   -251.517303    
 O   -8.69297791     -0.377956420     -0.619296968    
 H   -9.10499573      0.386980563     -0.199033916    
 H   -7.79603481     -0.101677597     -0.845742941    
 O   -4.46458006      -2.40882778       4.55064058    
 H   -4.76796341      -1.93878448       5.34320259    
 H   -5.12132359      -3.08434534       4.36234379    
 O   -6.03560829      0.562779546      -1.04534769    
 H   -5.57981634      0.684504330      -1.87355757    
 H   -5.51387119      -7.71932378E-02 -0.526901007    
 O   -9.10299587      -4.19521523       4.69981003    
 H   -9.75766373      -4.76471710       5.09449148    
 H   -9.55237293      -3.70044589       3.98923922    
 O   -8.12983704      -1.76532769       5.81367874    
 H   -7.80806494      -1.42827463       4.96331453    
 H   -8.52965546      -2.61889124       5.62183714    
 O   -9.99708557       2.85762991E-03   2.96676397    
 H   -9.93261719      0.609973550       3.71682739    
 H   -9.89161396      0.555190265       2.18019700    
 O   -5.56421232      -1.08024979       6.70650291    
 H   -6.45863962      -1.41381061       6.54986668    
 H   -5.68516636     -0.171991765       7.00205851    
 O   -7.50502062       4.37152004       2.83709669    
 H   -7.19329739       3.97490072       3.66203046    
 H   -7.12832737       3.83217001       2.12916470    
 O   -7.39338827     -0.877856433       3.28764415    
 H   -8.29138947     -0.586100340       3.08106399    
 H   -7.14328718      -1.55341685       2.64560509    
 O   -6.80451059       2.69239664       5.00739193    
 H   -6.24841022       2.14115596       4.43696213    
 H   -6.61237812       2.42559719       5.91450596    
 O   -6.66880655       2.30341339       1.07501817    
 H   -6.20145607       1.87541556       1.80717909    
 H   -6.40008402       1.83548701      0.275186688    
 O   -8.99085999      0.569455683       7.11991024    
 H   -9.37866879       1.10235953       6.41384888    
 H   -8.81053448     -0.297363102       6.72983360    
 O   -9.54167652       2.06329083       4.78185987    
 H   -9.91369247       2.73462915       4.19786787    
 H   -8.59440899       2.25787091       4.84361362    
 O   -3.28665233     -0.672450185       2.86474323    
 H   -2.35463810     -0.635411561       3.05991292    
 H   -3.67329097      -1.33532786       3.46680975    
 O   -5.47501755       1.04732001       3.24727678    
 H   -4.62576818      0.603494465       3.14965773    
 H   -6.14288473      0.345493108       3.31189060    
 O   -9.42699623       1.84256697      0.963338137    
 H   -9.84191704       2.57901502       1.42798662    
 H   -8.47191334       2.00039887       1.01754367    
 O   -10.2636156      -2.77137160       2.73527503    
 H   -10.3309145      -1.81627727       2.87166429    
 H   -9.96293449      -2.88568830       1.82572794    
 O   -6.48873186       1.54987204       7.55906677    
 H   -7.40060520       1.21023548       7.50574255    
 H   -6.37472153       1.88883281       8.44295788    
 O   -9.10986710      -2.93128848      0.141604364    
 H   -9.44411850      -3.41879416     -0.606382906    
 H   -8.99695873      -2.00899220     -0.153975025    
 O   -6.65971279      -2.92155957       1.50263131    
 H   -7.48523521      -3.06712174       1.02247238    
 H   -6.58486557      -3.58363295       2.20142126    
 O   -10.1774216       3.94744563       2.72970700    
 H   -9.23874378       4.21038485       2.75967956    
 H   -10.6880646       4.75092936       2.68450570    
 O   -6.47052908      -4.48234177       3.82284212    
 H   -7.37244987      -4.42169762       4.17465830    
 H   -6.15669966      -5.36127424       4.02426100    
 O   -4.70889711      -1.22484028      0.462956876    
 H   -5.33572531      -1.89314401      0.773029327    
 H   -4.13860655      -1.02606726       1.21479237    
          69
 Energy    -251.51730108611591     
  O     -2.63721968     -0.61228025     -0.84003939
  H     -1.67085172     -0.62349459     -0.80338553
  H      0.11574642      1.51171268      3.02487857
  O     -0.76729512      4.90545566      1.76244267
  H     -2.93185719     -1.25540466     -0.18404133
  H     -3.88227095      0.73789339      2.49235499
  O      3.94382616     -1.27270744      0.34471130
  H      0.18517068      5.01322231      1.67238103
  H     -3.48651181     -0.77255629      2.32122237
  O     -0.96647620      1.02793319      1.73814528
  H     -1.03372844      4.38132245      0.99426562
  H      1.36866060      0.00762276      3.90588311
  O     -3.34338314     -2.32378343      1.31772037
  H      4.11534058     -0.83134777      1.19731605
  H      1.09078197     -1.42370412      4.41787432
  O     -2.54075900      3.67301353      3.48231641
  H      4.77408404     -1.63619227      0.04986161
  H     -1.00678349     -1.51043712      5.24234978
  O      1.50853191     -2.24812242      1.45449451
  H     -0.62761110      0.39357811      1.09241521
  H     -0.48006630     -2.79996344      5.91889007
  O     -4.50181068      2.30508433      1.71143296
  H     -1.76163926      0.65343407      2.13640691
  H      2.64023678      3.35454571      1.77917396
  O      1.25434240      3.48181505     -1.15656049
  H     -3.91500495     -3.08594275      1.28261659
  H      2.07688240      2.26136845      2.71944534
  O      0.09700616     -0.57136980     -0.25411412
  H     -2.49950744     -2.62503500      1.70225525
  H     -1.74743960      2.98535865      4.84283263
  O     -3.81598873      1.80291430     -0.94542028
  H     -1.91663778      4.17554021      2.93543713
  H     -1.25790982      3.17785383      6.29803009
  O      0.72820854      1.69713040      3.75514739
  H     -3.17110087      3.26858911      2.88048417
  H      3.43254560     -0.34988923      3.27010263
  O     -3.34327315      0.02195615      2.85175142
  H      2.34959433     -2.11297867      1.00198638
  H      3.83708859      0.94733031      2.54357850
  O      1.71067455     -0.89825737      3.89774306
  H      1.57943209     -1.76691532      2.29321120
  H     -1.77811114      0.76150969      5.50411776
  O     -0.41554831     -2.27671990      5.12481924
  H     -5.36058651      2.72046855      1.75069450
  H     -2.58640291     -0.09972730      4.51164320
  O      2.76785056      2.44182456      2.06484404
  H     -4.29519590      2.18192393      0.77172304
  H      2.97581265      0.26319133     -0.28769417
  O     -1.23631846      2.57153238      5.56316838
  H      0.32081766      3.31494381     -0.96489054
  H      2.48841716      1.49990667      0.49829420
  O      4.11753492      0.03678183      2.70864039
  H      1.69590428      2.62541002     -1.08949548
  H     -2.17033779      2.71736687     -0.60007966
  O     -2.04417251     -0.14517086      5.31139921
  H      0.49600815     -1.26784445      0.28496263
  H     -1.18370759      2.35725551      0.52632782
  O      2.37943850      1.01957867     -0.33621174
  H      0.81258405      0.05307951     -0.43674026
  H     -0.86217694     -2.86264038      3.38192895
  O     -1.33972622      2.98537228     -0.19574454
  H     -3.40659403      0.91749638     -0.93656883
  H     -0.14640084     -2.96367253      2.02257041
  O     -1.00764808     -3.05835570      2.44777242
  H     -4.24434133      1.89910983     -1.79156245
  H      2.51649784      5.73680961      0.75586061
  O      2.04623205      4.94401050      0.99973655
  H      0.19368800      2.05782209      4.47063663
  H      1.79294164      4.50277584      0.16855345
          69
 Energy    -251.51617897413661     
  O      1.33989339      2.38619888      2.11690130
  H      0.64604313      2.92344134      2.51879238
  H      0.35051473     -4.26608048      0.84798205
  O      0.90491141      2.45068957     -0.71240250
  H      1.21074975      2.42165935      1.16162692
  H     -0.60289037     -3.48870771      3.41274871
  O     -0.47470925     -0.46641950      4.43317334
  H     -0.05938592      2.44474572     -0.85318408
  H     -0.84237181     -2.31130102      4.39365672
  O      0.78983382     -4.94664071     -0.83842806
  H      1.25889990      3.13817780     -1.27083730
  H     -5.19104925      1.84517402      3.89657483
  O     -1.85038416     -2.81179159     -3.37406040
  H     -0.90995676     -0.33937712      3.57503944
  H     -4.47178252      0.58379240      3.37139209
  O      0.90158135     -2.82515744     -2.53311650
  H      0.45711832     -0.25928065      4.28843472
  H     -2.92123765     -1.07394767     -0.41806262
  O     -2.59567832      2.50497386      1.62757511
  H      1.43869783     -5.59991502     -1.08589315
  H     -3.16905621     -2.31202381      0.50257543
  O     -3.74236817     -3.58620604      3.68504874
  H      0.91318498     -4.18791684     -1.43702929
  H     -1.07915537     -5.00342442     -1.31502834
  O     -1.84343832     -0.51267982     -1.76707564
  H     -2.26886109     -3.08127941     -4.18700185
  H     -2.41305109     -4.60632309     -0.66334738
  O      0.92793903     -0.34349418     -1.21268865
  H     -1.98579690     -3.53446432     -2.73483545
  H     -1.71234226      0.87350009      1.76727244
  O     -4.68559984     -1.03106318      2.81100799
  H      0.04010834     -2.79652489     -2.96720998
  H     -2.13065828     -0.57666638      1.43642097
  O      0.02033622     -3.76128757      1.60184321
  H      1.04426623     -1.94159018     -2.16863259
  H      1.55539953     -0.82359376      2.09054678
  O     -1.11151536     -3.21561765      4.18621217
  H     -3.29677194      2.22365656      2.23046459
  H      0.12830279     -0.74515151      1.50371777
  O     -4.33966996      1.51613047      3.62049545
  H     -2.00402743      3.07273135      2.13886486
  H     -0.76770586      4.62200361      3.79699873
  O     -3.37141842     -1.37325152      0.38293955
  H     -4.12004835     -4.19821080      4.31096166
  H     -1.13274349      3.13679083      4.04250055
  O     -1.99782052     -4.78641305     -1.51709960
  H     -2.81328688     -3.45371517      3.94805619
  H     -1.39920633      1.06996960      5.00923110
  O     -1.44740081     -0.04790450      1.86843639
  H     -0.90108387     -0.46797209     -1.55231223
  H     -2.75578948      1.72796255      4.66219856
  O      0.98956078     -1.18212659      1.39704184
  H     -1.93745846     -1.22446145     -2.41282852
  H      2.99230892      0.38522940      3.91521803
  O     -0.79228540      3.76539314      3.37948113
  H      1.05912935     -0.69324194     -0.31874754
  H      1.89884412      1.04140349      3.03412674
  O     -1.87708107      1.90961041      5.01973213
  H      1.04686852      0.61086577     -1.14417855
  H     -1.76802687     -3.90028200      1.27488237
  O      2.13773406      0.23153933      3.52303088
  H     -4.43863394     -1.87292784      3.21113258
  H     -3.17846502     -3.97943145      1.91357452
  O     -2.71241990     -3.97332167      1.06913088
  H     -4.40623670     -1.09251871      1.88686924
  H     -2.20411675      2.36583575     -0.19190832
  O     -1.76871963      2.24928427     -1.04710254
  H      0.41374962     -2.87998913      1.52636680
  H     -1.98254733      1.36086283     -1.35851952
          69
 Energy    -251.51439894603260     
  O     12.46997837     12.34551709    -13.67608378
  H     12.26259572     11.40250965    -13.64604505
  H     19.39396311      6.32178207    -13.37389961
  O     19.55993592      7.89561443    -10.11396207
  H     12.88313455     12.53690663    -12.82467401
  H     18.43118599     12.11720143    -16.17582404
  O     17.58733060     11.40526227    -11.93718455
  H     20.18261689      7.74171644     -9.40857133
  H     19.48449129     13.24189312    -16.31879461
  O     12.76213109      9.52542292    -13.48815156
  H     20.06831632      8.24752628    -10.86685451
  H     13.17495939      8.89315081    -15.26664063
  O     15.84238224      7.30842400    -11.90724149
  H     16.88599137     11.13968934    -12.55128165
  H     14.56510471      8.33867228    -15.59404594
  O     13.15777491      7.91579436    -11.18795384
  H     17.38298419     12.31190688    -11.67667259
  H     15.26525789     11.32994840    -14.22954090
  O     18.37806211      6.05879154    -11.97622634
  H     13.64893014      9.90923601    -13.48274881
  H     15.68333439      9.83848796    -13.93605535
  O     14.64357670     12.60367742    -15.36043266
  H     12.74420723      8.91963188    -12.73718606
  H     14.40446701     10.73408922    -18.34868667
  O     18.63622178      8.72421036    -15.25607339
  H     16.26760588      7.98432745    -11.35839534
  H     14.34873532      9.98360160    -16.99682787
  O     17.09650066      9.23041244    -10.30345501
  H     14.90214641      7.33942535    -11.69552725
  H     15.31820235      9.73540961     -9.83338296
  O     17.57130988     10.80124164    -16.89674210
  H     12.54190392      7.44529353    -10.63262631
  H     14.28365174     10.81291753    -10.24399560
  O     20.00249446      6.58477633    -14.08786033
  H     13.52329941      8.64338478    -10.65113999
  H     20.72863643      8.00325344    -12.98752822
  O     18.94336419     12.78324299    -15.68127472
  H     17.44293032      6.29885715    -11.97371796
  H     20.58136937      9.52860506    -12.80961710
  O     13.76235325      8.69149838    -16.00516838
  H     18.77559006      6.55112384    -11.24686891
  H     16.01119993     13.65148029    -14.72857540
  O     15.43925256     10.68244750    -13.53127843
  H     13.78457890     12.60666891    -14.91062837
  H     17.55596746     13.66562314    -14.73131342
  O     14.75179104     10.73909096    -17.46066271
  H     14.57765456     12.07334914    -16.16381557
  H     16.81797224     14.83964931    -11.21586799
  O     14.37276314      9.93218781     -9.85834491
  H     19.13882275      7.93937513    -15.00364830
  H     16.65186054     14.08736776    -12.56095026
  O     20.85416929      8.72124043    -12.35483236
  H     18.98214938      9.45346512    -14.72156202
  H     18.97627553     11.07243032    -13.02853095
  O     16.78303591     14.01564475    -14.27319900
  H     17.92796729      8.78546630    -10.09734370
  H     19.54851270     11.57299251    -14.37246571
  O     16.58070732     13.99701526    -11.59184373
  H     17.32851437     10.02296892    -10.80818772
  H     14.65485918     11.67971923    -12.12953102
  O     19.61733610     10.86238482    -13.72324933
  H     16.63863821     10.71046129    -17.12155647
  H     14.97611105     12.97761745    -11.37526483
  O     14.31040361     12.28320604    -11.45592671
  H     17.86655965      9.96402666    -16.51762415
  H     16.97247038      8.28530142    -14.77876277
  O     16.04731425      8.19293787    -14.51502238
  H     20.44051567      5.79147921    -14.38358932
  H     16.01280323      7.77575307    -13.64310781
          69
 Energy    -251.51241342584706     
  O     -2.90154349      3.68568054      3.29253570
  H     -3.80048730      3.92545288      3.54841296
  H     -3.70717295     -2.65976552      3.06401208
  O     -0.05635112      4.78667386      0.55099486
  H     -2.86232306      3.78692499      2.32989772
  H     -3.55367225      1.32984187      0.16916266
  O     -0.53681510     -0.05855526      2.72273559
  H      0.37979506      5.61077757      0.35111332
  H     -3.65949405      1.38098707     -1.37426928
  O     -4.37399053     -1.74181479     -1.22613420
  H     -0.03849299      4.68619747      1.52061510
  H      0.77584161      3.05551303      0.32673749
  O     -1.83008668     -2.32887963     -0.50165971
  H     -0.62423928      0.07305410      1.76724000
  H      0.59121763      1.52456271      0.14468917
  O     -4.32958926      0.84945406      1.66621194
  H      0.20030829      0.49685259      3.00432010
  H     -2.83242301      3.24785659      0.02095987
  O     -5.67490148      4.11569733      3.66143126
  H     -4.62988474     -0.94378635     -1.70436671
  H     -1.88156697      4.41024886      0.41170990
  O     -7.97070155      0.12841044      1.31692300
  H     -4.94090608     -1.77912297     -0.44484346
  H     -5.73057993      4.19056554      1.71561973
  O     -2.76666217      0.99356516      3.96203417
  H     -1.52729955     -3.06718158     -1.02365756
  H     -4.68192177      4.18001993      0.59546931
  O     -5.08844598      0.76103103     -2.39490012
  H     -2.73320253     -2.12421167     -0.80363674
  H     -5.02240168     -1.16903098      4.36569926
  O     -5.74329010     -1.48453555      1.22366276
  H     -3.72166380      0.77720020      2.41389608
  H     -4.26904743      0.14310176      4.64122041
  O     -4.60858129     -2.80277670      3.40662168
  H     -5.10558977      1.30825758      2.00939331
  H      0.35396054      3.44864959      3.36674469
  O     -3.08313398      1.60503138     -0.63523799
  H     -6.05610702      3.22150988      3.60603847
  H     -1.05909501      4.09406443      3.43099691
  O      1.20097252      2.20096988      0.46910989
  H     -6.22298778      4.61141110      4.26398743
  H      1.46734426      1.98437321      2.18086516
  O     -2.78094002      4.07808528      0.51731339
  H     -7.27237038     -0.54531001      1.25399863
  H      2.36776292      1.82474755      3.43140442
  O     -5.61710546      4.01872231      0.77450470
  H     -8.80360309     -0.32704665      1.22522783
  H     -7.20432441      1.14132983      2.71993252
  O     -5.13776578     -0.27855121      4.71616703
  H     -1.93730777      0.62926838      3.62518080
  H     -6.15292341      0.90164305      3.85316677
  O     -0.13321667      4.26750460      3.21492992
  H     -2.74848387      1.95046947      3.81863400
  H     -2.05653996     -2.42444108      1.38339711
  O      1.45801690      1.86426854      3.14875055
  H     -5.73300259      1.17199937     -1.78872261
  H     -1.54270816     -1.66445207      2.61987418
  O     -6.56659395      1.57971716      3.29394469
  H     -5.35563755      0.99420541     -3.27940569
  H     -0.98722349     -0.66710890     -0.28402175
  O     -2.16459729     -2.34687845      2.33922804
  H     -5.18413076     -0.69723337      1.32299894
  H     -1.53843138      0.77176547     -0.31370020
  O     -0.76818141      0.24454804     -0.05565346
  H     -5.48624548     -2.07472801      1.94301420
  H     -7.26926319      1.38638716      0.00850186
  O     -6.75561479      1.90252902     -0.62044898
  H     -4.60376555     -3.65063611      3.84220676
  H     -6.41483573      2.67729618     -0.14828717
          69
 Energy    -251.51114618652849     
  O     13.60629157      5.63266586     -9.29848370
  H     14.21877611      5.15610809     -9.87355959
  H     17.08993962      8.74710993    -12.77625582
  O     14.44790165      8.13119536    -16.82173349
  H     14.10796564      6.35349282     -8.89821590
  H     13.45232166      8.40661871    -11.88387059
  O     17.66458289      8.04522975    -14.31758050
  H     13.83151710      8.50440938    -16.16871487
  H     14.98071850      8.43539308    -12.23926232
  O     10.49006851      8.52895640    -13.52478860
  H     13.98972484      8.12015507    -17.65828164
  H     10.50941997      5.96067824     -9.50131756
  O     17.60063265      3.13814586    -12.23348680
  H     17.00775299      7.39702264    -14.61079610
  H     12.02518162      6.00950868     -9.80806899
  O     11.20927177      5.97696947    -12.95209803
  H     18.48533948      7.56044411    -14.16616000
  H     20.76465428      6.39075099    -13.84544815
  O     17.00756983      6.85647234    -10.16925923
  H     10.70770670      7.58692158    -13.39659866
  H     19.63492552      6.05555089    -12.84141886
  O     15.53779834     11.46104710    -11.65518619
  H      9.56229711      8.57101126    -13.73926376
  H     14.47783840      5.07735067    -12.53618987
  O     17.88385927      4.40640703    -14.61760041
  H     17.81826822      2.21417193    -12.31928151
  H     13.99920755      6.46501659    -12.99378093
  O     14.70912224     11.30702835    -14.21306390
  H     17.66428301      3.52635765    -13.12485497
  H     15.86162244      9.44414109    -16.39839504
  O     12.91238244      9.16160163    -14.79198474
  H     12.10291158      5.67265451    -13.15697356
  H     17.04005104      9.43300237    -15.41933576
  O     16.71332730      8.93518398    -11.90413710
  H     11.13780856      5.95585125    -11.98894042
  H     15.32848508      6.75015059    -15.89421403
  O     14.11034455      8.15022406    -12.54121373
  H     16.98129332      7.60267233    -10.78770462
  H     15.12528685      5.88064111    -14.62034861
  O     11.14899328      6.30133461    -10.12040932
  H     16.48444633      7.13497771     -9.40871605
  H     18.49765439      5.91778506    -10.79474785
  O     19.81696608      6.35343109    -13.75098175
  H     15.19737901     11.45321543    -12.56851438
  H     18.69316656      4.55476397    -11.49246334
  O     13.98892899      5.52521893    -13.23887616
  H     15.87077731     12.34022041    -11.49646578
  H     11.56679693      8.03973808    -10.61070839
  O     16.47296209     10.02521650    -15.93096049
  H     17.15192314      4.93223156    -14.96586840
  H     11.33054800      8.96012522    -11.82528099
  O     15.78574495      6.18672469    -15.25829683
  H     18.61062765      5.02462855    -14.47233582
  H     16.05646554      5.42792605    -10.81999653
  O     19.12912092      5.39577679    -11.30762122
  H     13.93559486     10.77597627    -14.43121521
  H     16.17866688      4.00969462    -11.42523416
  O     11.84239225      8.87602339    -11.01178416
  H     15.40137091     10.99710958    -14.81613060
  H     14.77446550      8.60900297     -8.78888814
  O     15.54197972      4.65332083    -11.09146252
  H     13.43741304      8.81981502    -14.05035991
  H     15.20945967      8.09527019     -7.39769512
  O     15.12492176      7.83624934     -8.31161373
  H     11.99348430      9.04582717    -14.52509772
  H     13.20660307      9.74141178    -10.06103157
  O     14.07572633      9.94018078     -9.68809870
  H     16.49316028      9.87216621    -11.84213054
  H     14.52819191     10.50734326    -10.32365325
          69
 Energy    -251.49417351936665     
  O     11.78855779     13.14230358     -9.98678129
  H     12.57532865     13.40032207     -9.49173470
  H     14.15850129     11.31921568    -15.23803722
  O     12.51967170      7.40543868    -15.87372108
  H     11.93102607     13.45310592    -10.89115874
  H     17.54354830     10.13972075    -10.39812545
  O     10.88727379     10.57906052     -9.96805980
  H     12.72013942      6.73403491    -16.52032702
  H     16.75347752      9.03429866    -11.15274492
  O     13.60469642      8.11555702    -13.37230725
  H     12.48672387      8.25376576    -16.35067476
  H     14.66657029      8.52943914    -10.45345070
  O     14.25206963     13.89254621     -8.72650938
  H     11.16510100     11.51264995     -9.94657833
  H     14.73292567      7.88708928    -11.84669191
  O     12.23532258      9.83255163    -17.08987194
  H     10.11742415     10.50767176     -9.41040098
  H     13.13997210     13.96220854    -13.25568424
  O     11.35447898      9.58129519    -12.57359967
  H     13.30429377      7.74137668    -14.20978850
  H     11.89114989     13.04192360    -13.21477398
  O     15.06908338     11.28714801     -7.77298560
  H     12.84917503      8.59537047    -13.00127507
  H     12.65032954      9.95526851     -9.63149049
  O     14.28331491     11.59675756    -11.76260419
  H     14.95814576     13.75261123     -9.37860388
  H     13.87122737     10.46755571    -10.41533576
  O     16.77671917     13.43688021    -13.30735506
  H     14.41257097     14.74555864     -8.32968909
  H     17.72051159     10.36253084    -12.75235748
  O     11.22254237     11.77242102    -14.32733784
  H     11.31675726     10.08047932    -16.92712077
  H     18.57207987     10.45246831    -14.04364486
  O     13.60121711     11.92742275    -15.75116071
  H     12.76951356     10.58582986    -16.80720392
  H     16.79769241     12.58906613    -10.02650443
  O     17.48499739      9.66476617    -11.23353922
  H     11.33692215     10.36867818    -13.13554147
  H     15.57660304     12.54623072    -10.98580736
  O     15.25425567      8.04793941    -11.05085258
  H     11.14617727      9.86906452    -11.67727593
  H     16.02233851     10.32550394    -14.03629505
  O     12.48338311     13.57439936    -12.66354134
  H     14.70922242     12.17109863     -7.90955157
  H     14.69922096      9.46558611    -13.88433173
  O     13.60963208      9.88523152     -9.68436417
  H     14.53655112     10.70071493     -8.32996897
  H      8.70378467     10.41096035    -16.51609556
  O     17.76254202     10.75744296    -13.64433634
  H     14.58464919     11.16525585    -12.57204802
  H      9.63031068      9.55950820    -15.61314299
  O     16.20800805     13.14449385    -10.55252504
  H     13.61556928     12.24699584    -12.01358191
  H     16.69334468     11.22737111     -8.41164268
  O     15.06176753     10.32783940    -14.12962119
  H     17.17496184     12.57733730    -13.49083526
  H     18.22932984     11.26701007     -8.23149681
  O      9.57255902     10.38652393    -16.12542726
  H     16.71084030     13.49451753    -12.34530655
  H     14.69918664     15.18318561    -14.88905016
  O     17.53962906     11.29737547     -8.88875375
  H     10.53507059     11.44269214    -14.91826021
  H     15.33736695     14.01355269    -14.10719556
  O     14.50965965     14.32721554    -14.51363820
  H     12.03892156     11.80400478    -14.84904039
  H     10.80390766      7.73783182    -15.04534526
  O     10.04581502      8.16864731    -14.63110190
  H     13.90017521     12.81351294    -15.51797156
  H     10.38026809      8.54031607    -13.80303631
          69
 Energy    -251.49319700294564     
  O     16.89106163      9.26584228    -10.54660440
  H     16.20014878      8.70805642    -10.93088805
  H     13.15502294     10.24587666     -7.48275310
  O     14.13214463      6.16697264     -5.12001128
  H     17.67793755      8.71277381    -10.43889824
  H     13.52258157      9.32353427     -5.27476213
  O     17.22342136     11.95597004    -10.40365351
  H     14.40575665      6.98135633     -4.68028419
  H     12.37799480      8.65095069     -6.05763683
  O     11.72214767      6.92736524     -6.42578148
  H     13.25953516      6.34699454     -5.49459967
  H     17.25484814      4.65159579    -11.19956180
  O     14.97319856      7.51774301    -11.44259578
  H     17.26730054     12.34772354    -11.27187411
  H     17.33776112      3.12433941    -10.96858948
  O     18.97121237      7.52003659    -10.18056269
  H     17.07640192     11.00218323    -10.53100514
  H     15.15046413      6.06453225     -6.57497397
  O     20.61452747      9.11798525     -8.57074545
  H     11.90703272      6.78397886     -7.37054484
  H     15.59448461      7.13094896     -7.62399943
  O     18.10699877      5.56765282     -8.38470026
  H     10.83994543      6.60119317     -6.26870539
  H     18.08236401      6.64946157    -11.64119812
  O     12.27312715      6.59927078     -9.06569651
  H     14.18662816      8.05408280    -11.28069658
  H     16.62161601      6.63839065    -12.14468322
  O     15.47194955     12.35243769     -8.17866956
  H     14.87376934      6.72912750    -10.88906150
  H     17.64673602     12.33522053     -5.35307796
  O     12.74536223      9.01752536    -10.54668526
  H     18.67903290      6.85151265     -9.54289760
  H     17.41093176     10.91850071     -5.92815360
  O     13.47317974     10.48196887     -8.36829180
  H     19.64635098      8.04658827     -9.73485922
  H     14.90359207      9.37591493     -8.09843274
  O     12.82723922      9.49536489     -5.91995782
  H     21.54200784      9.33895911     -8.57237417
  H     16.19540779      9.01739141     -8.87323141
  O     17.10083514      3.94578912    -10.54660335
  H     20.12541989      9.95816760     -8.51263566
  H     18.68856178     11.61781008     -7.60846308
  O     15.62439463      6.18790827     -7.40802370
  H     17.90940143      4.87447443     -9.02512010
  H     18.60578008     11.67772362     -9.14205912
  O     17.44110627      6.12961980    -12.14447909
  H     17.26291325      5.75800127     -7.94613040
  H     15.80833954      8.86532311     -4.64191159
  O     17.49546969     11.85716992     -6.16455054
  H     12.35605644      7.40468029     -9.58964505
  H     15.16580218      8.94068777     -3.23922664
  O     15.71527022      8.85618909     -8.05217201
  H     12.97107918      6.00661674     -9.37114588
  H     14.95126323      5.54879059     -8.91205982
  O     19.17621674     11.40489408     -8.41335712
  H     16.01953967     12.32969065     -8.97346855
  H     15.35538950      4.65353209    -10.09630889
  O     14.98036628      8.73396710     -4.15205620
  H     16.08510946     12.25486460     -7.44087407
  H     18.97726454      6.76150702     -7.07503445
  O     14.67449982      5.26670047     -9.79872098
  H     12.05146655      9.46890957    -11.02093376
  H     19.78787138      8.06450665     -7.19693570
  O     19.24223770      7.55084483     -6.58832649
  H     12.98214500      9.58577917     -9.79298303
  H     16.64368447      9.09723737     -6.57947083
  O     17.17533471      9.16126126     -5.77017677
  H     14.07784360     11.23540268     -8.29323885
  H     17.93937529      8.58345243     -5.90843380
          69
 Energy    -251.48931185865905     
  O     16.22410538     10.13741119    -10.12828078
  H     15.62404866      9.61035687    -10.67449981
  H     13.39324749     10.48622411     -7.22289424
  O     14.84113229      4.65353979     -6.01197151
  H     17.11542437      9.78372150    -10.25930073
  H     13.39483904      7.77816705     -5.01268830
  O     16.01751902     12.61563958     -9.04365004
  H     14.78366885      3.75246358     -5.70784953
  H     11.97838364      8.15354753     -4.51788008
  O     12.47624808      5.60780418     -6.84339448
  H     13.94907930      4.91109475     -6.31377386
  H     17.83591939      4.80191789    -12.74805173
  O     14.61487000      8.42723030    -11.54599284
  H     15.88742877     13.27672196     -9.71832310
  H     17.43426130      6.25839213    -12.41561448
  O     18.64630260      8.91668076    -10.50594113
  H     16.05704216     11.75425005     -9.49552612
  H     15.75155643      6.83808356     -8.07664026
  O     20.10938659     10.22101041     -8.50861234
  H     12.40167260      5.78935213     -7.79220492
  H     15.69340626      5.40918069     -7.45315114
  O     18.41314846      6.32168891     -9.49818445
  H     12.32287928      6.43962901     -6.38286108
  H     16.94642327     11.34595440     -4.20253078
  O     12.42702002      6.21003058     -9.54589938
  H     13.76120174      8.69431138    -11.18199930
  H     16.95133708     10.22487309     -5.26762488
  O     14.51515814     11.77475945     -6.77225190
  H     14.73888673      7.50336648    -11.28226175
  H     17.78587936      8.41834415    -12.14824392
  O     12.26227967      9.04495855    -10.10016197
  H     18.57487605      8.02382112    -10.13675407
  H     16.30905558      8.23899667    -12.56807741
  O     12.92381941      9.68883735     -7.51629124
  H     19.24710483      9.40512573     -9.92926733
  H     14.54991756      8.88940170     -7.76200874
  O     12.50917844      8.06050148     -5.30466527
  H     20.96500254     10.63936253     -8.46407014
  H     15.78344769      9.13208276     -8.66412701
  O     17.50239514      5.35846030    -12.04955415
  H     19.47107463     10.84542073     -8.11990541
  H     17.57172202     12.26584095     -8.01498032
  O     16.01543397      5.91467843     -8.20791407
  H     17.62080385      6.13344129     -8.97230120
  H     17.85284763     11.71742114     -6.60682670
  O     16.80359810     11.17652182     -5.13007878
  H     18.27402104      5.87132646    -10.33967287
  H     15.78829207      7.58634371     -4.88389473
  O     17.21000980      7.96649334    -12.77981796
  H     12.28836084      7.13686144     -9.77063750
  H     15.02583113      6.24614450     -4.98448061
  O     15.44425315      8.58005929     -7.94903497
  H     13.18859830      5.92340401    -10.06442742
  H     15.28959582      5.74621824     -9.83995736
  O     18.27103684     11.90732457     -7.45551511
  H     14.95260768     12.16883263     -7.53745592
  H     15.73239644      5.46376699    -11.28599203
  O     14.97163429      7.14086814     -4.62527965
  H     15.21740907     11.60009801     -6.13418487
  H     19.71246242      8.58855450     -7.57790721
  O     14.98215243      5.76142361    -10.75931949
  H     12.45824635      9.31889081     -9.18810394
  H     19.20759781      7.17092115     -7.90168194
  O     19.37175255      7.78096013     -7.17324485
  H     11.43331991      9.45452842    -10.33592970
  H     16.51831174      8.60087193     -6.52981167
  O     17.12409240      8.55312081     -5.77423416
  H     12.67770183      9.17822134     -6.73352842
  H     17.96413496      8.22967852     -6.12836956
          69
 Energy    -251.48537439084799     
  O     15.56129027     11.80683299    -12.84928285
  H     16.35303681     11.56021506    -12.35641714
  H     18.94296813      4.15326917    -14.06108947
  O     14.37244296      6.32229537    -14.36892080
  H     15.70674522     11.53803168    -13.76589531
  H     19.19125514      8.70577623    -13.31372939
  O     16.55550056      6.17322907    -10.43141651
  H     13.56848631      6.63210976    -13.92907422
  H     19.38338105      8.16724308    -11.89923932
  O     13.22225815     10.05690427    -16.55378599
  H     14.37980540      6.64674497    -15.28195021
  H     15.36086638      7.72034057    -13.84846562
  O     12.48990995      6.63331413     -9.26102617
  H     16.37311595      7.12254439    -10.48175741
  H     15.75118070      9.20926733    -14.11484217
  O     12.28949531      7.32517396    -12.84309439
  H     15.97248610      5.80001230     -9.75966241
  H     12.63825547     12.20897453    -11.76951821
  O     16.01647996      8.83496563    -10.86970886
  H     12.64487040     10.49477155    -17.17264796
  H     13.92570069     11.54783084    -12.31392798
  O     17.26450223      8.79816918    -16.94929638
  H     12.72143652      9.95459744    -15.72360609
  H     14.17350070      4.05751347    -10.32818033
  O     11.47400610      5.05312884    -11.44425576
  H     11.99348934      6.13830207     -9.92434117
  H     14.59148844      3.93938723    -11.80760186
  O     18.30789249      7.62914959    -14.72244863
  H     12.68808711      7.49228340     -9.65768944
  H     12.28156980     10.36786377    -13.48323467
  O     14.62202357      7.57921044    -16.79287939
  H     12.66851921      7.84066308    -12.11617563
  H     11.96510933      8.88772357    -13.79847150
  O     18.59022722      4.98968864    -13.76883530
  H     11.88587318      6.54411296    -12.44421267
  H     18.37902290      6.29438073    -10.86714305
  O     19.34198301      8.99150165    -12.40697120
  H     16.61857890      9.57792502    -10.75530742
  H     19.18482023      5.88456277    -12.10373912
  O     15.93051571      8.44397239    -13.55485980
  H     15.98074598      8.68493144    -11.82974579
  H     16.18648856      5.31378917    -11.99408235
  O     13.00294799     11.37515296    -12.05417606
  H     17.87863226      8.86747794    -17.67540871
  H     15.43882219      5.27771288    -13.37773953
  O     13.86148049      3.77770140    -11.19815566
  H     17.73386672      8.34563103    -16.22722292
  H     14.62301133      4.74907059     -7.83469627
  O     12.00024561      9.77123128    -14.18771435
  H     10.76152325      4.42230261    -11.49838210
  H     13.86514920      5.64716307     -8.84307598
  O     19.22505827      6.43435421    -11.31303532
  H     12.30239080      4.54117577    -11.41587869
  H     14.23529223      8.86545826    -10.68084214
  O     16.03156104      4.78369691    -12.79129731
  H     17.52098932      7.88124124    -14.21378184
  H     13.06136511      9.77939342    -11.07840669
  O     14.62641217      5.04821619     -8.73967663
  H     18.49449557      6.70993160    -14.49557350
  H     18.40349081     10.27581785    -11.71701741
  O     13.26948828      8.89939440    -10.74168842
  H     14.06719787      8.36958662    -16.80595474
  H     18.39082240     11.50950416    -10.78705745
  O     17.82373332     10.93707435    -11.29643420
  H     15.52100670      7.89305612    -16.94548727
  H     14.84679932     10.51838724    -15.80357729
  O     15.71520378     10.58628717    -15.38332660
  H     17.68235520      4.81817424    -13.46536447
  H     16.33174277     10.12691941    -15.96752159
          69
 Energy    -251.48494023549767     
  O     16.46640170     12.37914687    -12.42956303
  H     16.59861419     13.28780175    -12.17369286
  H     17.85391015      5.18380401    -12.07636758
  O     15.56407444      6.51921594    -14.80254326
  H     16.37375277     11.86528726    -11.60650754
  H     18.38565549      8.77458372     -8.54719852
  O     13.83964759      6.41003589    -10.57342678
  H     15.77099706      7.21535739    -14.15500253
  H     17.47337155      7.97602281     -9.50193311
  O     16.52394365      6.50959989     -9.66822855
  H     16.38298141      6.36575980    -15.28706489
  H     15.67902240      8.60669848    -12.27732376
  O     17.61132889      9.20402652    -16.11558360
  H     14.15482661      5.89676839    -11.33105179
  H     16.82511039      9.11775266    -13.20964115
  O     10.57991596      7.94936469    -12.80928005
  H     12.89028096      6.24839446    -10.51433362
  H     13.82587081     11.02478140    -13.89972729
  O     13.49101205      8.05635677    -15.70817734
  H     15.56657371      6.50045681     -9.79246084
  H     15.12421150     11.85113121    -13.67098190
  O     14.27792695      9.06758033    -11.20108560
  H     16.85924814      5.77564639    -10.19565075
  H     11.82312942      5.11013175    -13.88062409
  O     11.32289975      6.44047705    -15.16281585
  H     17.86245568      9.71188143    -15.33031194
  H     12.97919339      4.50705910    -13.04117402
  O     18.46490305      6.57357096    -12.98923192
  H     16.74033481      9.52582979    -16.37385448
  H     14.85863386     10.75911036    -15.85029919
  O     18.19619686      6.59456715    -15.81773949
  H     10.68590118      7.33391883    -12.07420213
  H     14.83999692     10.83348005    -17.39493867
  O     17.37667424      4.51434669    -11.55628685
  H     10.67995335      7.41774041    -13.60905365
  H     15.63708634      4.57508393    -12.32143076
  O     18.01522028      8.78070083     -9.42654050
  H     14.19795429      7.44421802    -15.45375932
  H     15.03939671      5.36988881    -13.50515121
  O     16.32454440      8.33686256    -12.94037974
  H     13.92190177      8.78769820    -16.16759794
  H     11.36550569      5.29953541    -11.67433613
  O     14.51715091     11.53010107    -14.34733057
  H     14.05788788      8.17433526    -10.90588810
  H     10.45690090      5.34019179    -10.42045874
  O     12.01678164      4.55447140    -13.11527369
  H     13.68005811      9.28769736    -11.92895378
  H     19.44368578      8.09710049    -12.19928738
  O     14.98598186     10.23777766    -16.66461317
  H     10.78964150      6.28670690    -15.93922025
  H     19.07009926      8.95425035    -10.98024074
  O     14.80435199      4.85397363    -12.72064926
  H     12.05157477      7.02008539    -15.43846910
  H     11.88264623      9.15324438    -13.12987439
  O     11.10537820      5.84188475    -10.90699250
  H     17.73017139      7.18604300    -12.82222766
  H     13.01232393      9.06212973    -14.17598893
  O     19.52770090      8.98458329    -11.83102828
  H     18.53312296      6.50578227    -13.94988559
  H     16.86093746     10.19939809     -9.93442527
  O     12.71058786      9.56943422    -13.41155880
  H     18.03006772      7.54390403    -15.97224138
  H     15.42050263     10.25970013    -10.47279693
  O     16.19130729     10.80868995    -10.26558598
  H     18.71062518      6.28218568    -16.55630992
  H     17.62541853     11.19018158    -13.26997928
  O     18.05412475     10.42099311    -13.66394500
  H     17.98438059      3.79500963    -11.40520672
  H     18.67232833     10.04878646    -13.01630372
          69
 Energy    -251.48392868851175     
  O     14.62153718      5.29012925     -9.14183048
  H     15.11485050      4.92795735     -9.88909141
  H     11.44200249      8.96218119    -13.42670629
  O     13.55476082      8.50205712    -16.25517200
  H     15.13253768      6.03913348     -8.81153430
  H     16.35044273      9.99396564    -11.90702802
  O     16.93518734      8.54075678    -14.81855110
  H     12.96022145      8.72011415    -15.52411864
  H     16.76254676      9.02416038    -13.07892060
  O     10.28329395      8.12793281    -12.17150761
  H     14.13581902      9.26576780    -16.34380122
  H     13.55125105      8.17047010    -11.32980039
  O     17.99310994      3.52342041    -13.20079371
  H     16.30822530      7.81527338    -14.96176216
  H     14.93788047      8.39681546    -12.02649193
  O     11.34082897      5.62762306    -12.05553008
  H     17.82232576      8.16411909    -14.88136064
  H     11.55119171      5.26083889     -8.56117249
  O     17.56566408      6.97440553    -10.68429995
  H     10.60849204      7.20946637    -12.20858744
  H     12.93025970      5.51459887     -9.21514104
  O     15.33851697     11.45011073    -11.36617488
  H      9.33174753      8.08348058    -12.20568968
  H     20.23535589      7.28990124    -15.20819770
  O     17.53999713      4.97435817    -15.44882814
  H     18.26543130      2.63731670    -13.42245017
  H     19.43807926      6.75737583    -13.99425671
  O     15.54479377     10.60881736    -15.98411312
  H     17.78919837      3.97352346    -14.04055613
  H     14.68923650      5.03444460    -12.51867427
  O     14.01513705     11.40319216    -13.71656709
  H     12.17236814      5.42140591    -12.50177776
  H     13.97607381      6.37983263    -12.72118003
  O     12.26155630      9.22269021    -13.86051526
  H     11.51766347      5.52672530    -11.11141819
  H     14.54091923      7.06520073    -15.78080973
  O     16.64772478      9.10129224    -12.12163635
  H     17.31289233      7.74826079    -11.21058625
  H     14.71140303      6.03571722    -14.62039566
  O     14.05381477      8.03069868    -12.14180547
  H     17.21785389      7.13889114     -9.80010228
  H     18.92124872      6.28600622    -11.76314207
  O     11.98064192      5.72651349     -9.27330297
  H     14.81438882     11.47774702    -12.18720775
  H     19.07066541      5.02125421    -12.63542649
  O     19.35103406      7.16400058    -14.87557203
  H     15.58809269     12.34954189    -11.17156064
  H     12.09195450      7.53052560     -9.67885986
  O     13.99175060      5.46019576    -13.03338832
  H     16.68020074      5.40799755    -15.54102154
  H     11.47833552      8.50673746    -10.70465600
  O     15.16995357      6.46414920    -15.35550587
  H     18.19322728      5.68307023    -15.42626765
  H     16.62671783      5.48109109    -11.21672143
  O     19.43964023      5.89990892    -12.48184202
  H     16.03532824     11.02082220    -16.69088883
  H     16.73680441      4.14064948    -11.97810435
  O     12.18400735      8.41840438    -10.05201811
  H     16.11795971      9.91853017    -15.61035022
  H     15.58061342      8.35210787     -8.65530534
  O     16.14476977      4.66821592    -11.42842465
  H     13.27521386     10.78382041    -13.77255884
  H     16.38497694      7.79383192     -7.45940855
  O     16.11276259      7.59561657     -8.35166941
  H     14.53905379     11.25566427    -14.51354322
  H     13.64929287      9.36735583     -9.40353660
  O     14.55897825      9.65037797     -9.23804940
  H     12.96500949      8.80466149    -13.33905399
  H     14.77428038     10.30187611     -9.91518619
          69
 Energy    -251.47497512130312     
  O     -3.24524323      1.56078642      0.65714238
  H     -3.55125108      2.46396664      0.63274788
  H      1.33960278     -2.70744043      4.01863128
  O     -3.77847459     -2.20714708      6.73502257
  H     -3.53753247      1.19135594      1.50805440
  H     -0.90471388     -1.10175754      1.04141488
  O     -1.45487167     -0.19782288      4.02735869
  H     -2.88771231     -2.31192520      6.36052794
  H     -1.21895713     -1.23396262      2.54950854
  O     -3.94339784      0.32963457      2.99477402
  H     -3.67200774     -2.15776331      7.68185374
  H     -2.30916486     -2.94344022      1.41167572
  O     -4.75006053     -4.30632883      5.04637120
  H     -0.55144562      0.14477924      4.02722592
  H     -3.84351422     -3.09771969      1.35959172
  O     -1.40502024     -2.60415469      5.42145075
  H     -1.47202681     -0.98189396      4.59482435
  H      0.34117971     -2.84622946      2.10216355
  O      0.04470239     -5.87165422      2.63687515
  H     -4.56626288      0.12149027      3.70660885
  H      1.75918126     -3.14252030      1.59168347
  O     -6.63678965     -2.96452563      3.63070247
  H     -3.05889482      0.21543353      3.37158736
  H     -5.75816991     -2.22913509      2.16871102
  O     -0.79317948      0.35105260     -0.12607256
  H     -4.48732180     -3.67932221      5.73175347
  H     -4.70159984     -1.10682294      2.03755989
  O      0.20227250     -3.13406904     -1.21736484
  H     -3.92873239     -4.60618147      4.63606165
  H      3.20016983     -2.56348907     -0.50661329
  O     -1.13786638     -5.21454058      0.04662066
  H     -1.67883977     -3.33546389      4.84947159
  H      1.65403857     -2.62802755     -0.46235542
  O      1.24680262     -2.22499214      4.85146902
  H     -0.43975568     -2.53967482      5.36945449
  H      1.44932507      0.35793339      2.88797557
  O     -1.05507637     -1.74322973      1.74596903
  H      0.70271301     -6.51915975      2.87609516
  H      1.78183852      1.21027632      4.13330505
  O     -3.02095744     -3.60039464      1.35208205
  H      0.51074754     -5.02483604      2.52687951
  H      2.04051728     -0.65583986      0.79414698
  O      1.13129762     -3.37766929      2.28509551
  H     -7.48161988     -3.39992815      3.70405096
  H      0.89963042      0.36971561      0.65891714
  O     -5.13879080     -1.81986720      1.55150535
  H     -5.99141732     -3.52208821      4.10126984
  H     -1.97285847     -1.24989457     -3.07957679
  O      2.44698221     -2.36192413      0.04113839
  H     -1.04241864     -0.13788900     -0.92169405
  H     -2.68629588     -1.21242307     -1.71102359
  O      1.26107140      0.46856759      3.83714067
  H     -1.56950307      0.85727462      0.14600839
  H     -6.03018628     -1.39378394      4.59023418
  O      1.69044265      0.15924581      1.17370841
  H     -0.23061247     -3.91057303     -0.83257482
  H     -4.94123656     -1.12080669      5.64276711
  O     -1.81913132     -1.31847265     -2.14062074
  H     -0.49852923     -2.58063336     -1.57734697
  H     -2.61117087     -4.32770570      2.93415242
  O     -5.50934699     -0.68820205      4.99316142
  H     -0.73596802     -5.61317355      0.82573293
  H     -1.51141156     -5.24010828      3.51132427
  O     -2.25731213     -4.68361624      3.76360271
  H     -1.92677210     -4.76054540      0.37452001
  H     -3.92368057      0.13757392     -0.44941545
  O     -4.13114290     -0.71748631     -0.84622486
  H      1.37970478     -1.29822824      4.61817368
  H     -4.60383674     -1.20516090     -0.16014957
          69
 Energy    -251.46575155683058     
  O     17.15925723     10.31063203    -17.63580016
  H     16.27438360     10.68140742    -17.50807616
  H     20.51214519     10.73523803    -16.71312612
  O     17.46767782     13.86067037    -11.88432851
  H     17.36453268      9.77861392    -16.85156741
  H     18.60001057      8.76880093    -15.06134399
  O     20.27352153      8.88738802    -14.27331616
  H     17.71605426     13.55967088    -12.76879153
  H     17.58177539      7.73416035    -15.59994299
  O     15.61563100      6.90317706    -17.57103465
  H     16.52644837     13.66327551    -11.79925642
  H     14.72393383     11.56988255    -16.12485393
  O     16.11460244     10.76175858    -10.29933842
  H     19.95993721      9.52632775    -13.61752225
  H     14.20424098     10.30639862    -16.84710810
  O     15.31787813      9.09651586    -14.21018331
  H     20.69460781      9.35358991    -15.00613492
  H     16.14902055      8.73619043    -12.66308925
  O     17.95904589     12.38554832    -14.26153694
  H     16.10444859      6.41117395    -16.89731371
  H     17.11233182      7.66617004    -12.10850674
  O     20.18991335      6.19458934    -13.67391576
  H     16.27501895      7.24681642    -18.18477226
  H     12.86030997      8.10013303    -16.58864465
  O     19.88582593      5.28293075    -16.35841472
  H     16.28450143      9.91996830    -10.74125004
  H     14.36589004      7.90778765    -16.88306065
  O     17.27330867      5.90474475    -15.54541053
  H     16.98108723     11.14264585    -10.10891422
  H     18.29330497     12.80360278    -10.76059234
  O     17.68400204      5.96363290    -12.70025927
  H     14.65912353      8.81961507    -14.85861489
  H     19.22401367     12.48030634     -9.56507387
  O     21.15918998     10.00720196    -16.67609354
  H     16.18236559      8.99515798    -14.64016225
  H     18.95443091     10.93825908    -11.66806109
  O     17.72473921      8.67878081    -15.45627717
  H     18.27747727     11.67651891    -13.68609114
  H     18.17605475      9.75242098    -12.29665966
  O     14.63518601     11.15759003    -16.99452075
  H     17.00948666     12.24157897    -14.37995221
  H     15.21339879     12.01183341    -11.14599324
  O     16.79966002      8.56721448    -11.96499364
  H     20.22950253      5.78949637    -14.54867089
  H     14.06925329     13.05317883    -11.15539544
  O     13.72121968      8.47458900    -16.42296358
  H     20.33396245      7.14135867    -13.82081062
  H     20.44236297      8.39780552    -17.46322776
  O     18.66850795     12.07923867    -10.22723495
  H     20.29200868      4.57415383    -16.84930611
  H     19.29629002      7.77397526    -18.30511429
  O     18.87236413     10.40275349    -12.46664341
  H     20.01283464      6.09592016    -16.88100199
  H     14.96130127     12.23253337    -13.43914297
  O     14.82711718     12.75102806    -11.64875977
  H     17.26719616      5.85219236    -14.58181726
  H     15.19603783     10.90183455    -14.19772457
  O     20.08025281      7.56335463    -17.78297044
  H     18.13418887      5.57776472    -15.84204492
  H     18.52458148     11.48798051    -17.18279616
  O     15.20326774     11.86533628    -14.29807379
  H     17.61534221      5.20860354    -12.12116141
  H     18.87814938     12.19994917    -15.86612712
  O     19.25625318     11.89954912    -16.70336501
  H     18.62019793      6.03044651    -12.96414913
  H     17.58206178      8.32232461    -20.12620082
  O     17.65868126      8.16007894    -19.18925864
  H     21.99485999     10.36745615    -16.96013561
  H     17.46409969      9.00303367    -18.74165681
          69
 Ord_Energy   -250.948776    
 O    5.83243656      -1.45672858       4.75808287    
 H    5.47905254      -1.84443533       5.57146120    
 H    5.72796106      -2.12112355       4.06613350    
 O    1.91784930       1.31652749       9.58052254    
 H    2.73584914       1.72078645       9.92115784    
 H    1.30083382       1.29309452       10.3068590    
 O    5.06997633      -3.45444131       2.93943334    
 H    4.47870493      -3.75824809       3.65288067    
 H    5.44378662      -4.23325300       2.53719473    
 O    7.70059347      0.149630621       5.96271276    
 H    7.86151981       1.01284981       5.56193972    
 H    7.15961313     -0.389286369       5.36819267    
 O    3.08036017      -1.52813053       2.19778705    
 H    3.43482304     -0.705183387       2.56072879    
 H    3.79339552      -2.17585897       2.26011109    
 O    4.28612614       2.32440066       10.4460382    
 H    4.95406532       1.62809670       10.5078449    
 H    4.71673536       3.07406712       10.0191946    
 O    4.19303608       3.29674697       6.82893181    
 H    4.62788010       2.45141077       7.02010155    
 H    3.23838210       3.13773966       6.84016800    
 O    1.56841481       2.52899098       6.97845745    
 H    1.49467397       1.77918601       6.37311697    
 H    1.55106235       2.15927052       7.87009621    
 O    5.46329689      0.915454805       7.49547482    
 H    5.74281502      0.838305771       8.41708565    
 H    6.22259235      0.667342186       6.95504141    
 O    1.85521615      0.124859318       5.48089886    
 H    2.26370049     -0.164116055       6.31027031    
 H    1.52158177     -0.670088589       5.04790878    
 O    7.95397949       2.82729149       5.20563078    
 H    7.05457830       2.92756724       4.84351015    
 H    8.54211712       3.28570199       4.61169481    
 O    5.41885090       2.99077821       4.33941603    
 H    4.96811962       2.19673443       4.02274323    
 H    4.92390919       3.27428317       5.11996603    
 O    8.85942554       1.34302354       9.79419327    
 H    9.52090263       1.71995640       10.3675232    
 H    8.60903263       2.03820848       9.15842724    
 O    8.01232147       3.23303676       8.06768894    
 H    7.98751020       3.15051055       7.10734749    
 H    7.20242310       3.68451595       8.33569241    
 O    6.65754843      -2.33506417       9.18789005    
 H    6.93213558      -3.06681108       9.73501968    
 H    7.46878195      -1.94569993       8.81267071    
 O    6.25573254      0.354558319       10.1328688    
 H    6.29285622     -0.589776039       9.93763161    
 H    7.16676712      0.680266798       10.1357059    
 O    3.14386773     -0.505894840       7.84833050    
 H    2.65395832      -1.42887002E-02   8.51860905    
 H    3.95624971      -1.96509995E-03   7.67918921    
 O    1.27558172      -2.26811504       4.09776354    
 H    1.84853971      -2.01689982       3.35069108    
 H   0.452344120      -2.57061887       3.72300410    
 O    4.74379396      -2.59698629       7.09622765    
 H    4.06970167      -1.97199786       7.40218687    
 H    5.41725111      -2.61474466       7.78666830    
 O    4.09743071      0.561454356       3.83858776    
 H    3.30837631      0.525392294       4.39724255    
 H    4.71306801      -9.91969705E-02   4.18547058    
 O    8.80102348      -1.02334929       8.20453167    
 H    8.99244404     -0.259097338       8.76140690    
 H    8.51949787     -0.657734215       7.35257578    
 O    5.53726006       4.41495466       8.88699913    
 H    5.00791788       4.13337135       8.11939335    
 H    5.37531376       5.34760380       9.00533867    
 O    3.40173411      -3.98490882       5.01428032    
 H    3.80702233      -3.63266134       5.81771517    
 H    2.61228371      -3.45632243       4.84265423    
          69
 Energy    -251.46496260675269     
  O     12.48099053      9.14293885    -16.63685891
  H     12.08397316      9.98360040    -16.34580828
  H     17.20791084      8.49364271    -11.86265236
  O     12.08719180      8.05985546    -12.63062141
  H     12.54204727      9.18223693    -17.58732895
  H     15.29398586      7.46640096    -11.84153899
  O     14.12859776      8.54013515    -14.45612204
  H     11.62279304      8.88483908    -12.43020389
  H     15.46442229      7.77365849    -13.34071075
  O     13.93732937     12.54984129     -6.99102351
  H     12.60319102      7.82010551    -11.85036272
  H     14.36552669     14.04798967    -11.44202093
  O     11.24136604     11.37182464    -15.68509517
  H     13.69510911      8.69266162    -15.30461838
  H     13.46872089     15.28474752    -11.66919875
  O     14.69258678      7.82017332     -7.88057552
  H     13.42018602      8.34010685    -13.82472277
  H     14.16038244      7.57938227     -9.66584507
  O     14.20710059     10.52754351    -10.73489326
  H     13.35934696     12.93501392     -7.67553212
  H     14.08389439      8.75562795    -10.65106635
  O     12.99111758      9.87482501     -7.39749419
  H     13.88871144     13.12447927     -6.23235364
  H     18.24109543     11.66500912    -13.26132229
  O     16.00181855     13.46869784    -11.20173503
  H     11.63553552     11.87250477    -14.95926499
  H     17.63567081     10.67079979    -12.24712049
  O     11.65627239     10.77109070     -9.70830593
  H     10.39496519     11.04584995    -15.35401804
  H      9.98569267     10.36632149    -12.93757685
  O     12.42266946     12.41212895    -13.32526408
  H     14.07483657      8.54267106     -7.66477227
  H     11.26867272     11.17694305    -12.61305576
  O     17.87405794      9.06215310    -11.43454214
  H     14.67521341      7.21677833     -7.14280120
  H     16.32651078     11.09829005     -8.73128620
  O     15.95647891      7.54557193    -12.54277304
  H     14.41406881     10.77801319    -11.64287753
  H     15.29744983     12.14667181     -8.18359633
  O     13.44071067     14.34247695    -11.52104838
  H     14.78746878     11.02161170    -10.14219045
  H     15.72066898     11.18128748    -13.36127980
  O     13.97845673      7.79240732    -10.58776618
  H     12.36400642     10.06633850     -8.10771169
  H     14.64128275     10.15184094    -13.84679639
  O     17.45346116     11.47679399    -12.75630522
  H     13.32818369     10.73332643     -7.11507469
  H      8.07885957      9.89083242    -14.67469968
  O     10.68679695     10.47567121    -12.28456958
  H     16.03336124     13.04135665    -10.33209280
  H      9.44958926      9.17040409    -14.69663296
  O     15.86284232     11.92497766     -8.93311126
  H     16.54518608     12.91744698    -11.77321721
  H     16.24136408      8.80881024     -8.45241067
  O     14.77369488     11.02127112    -13.44326103
  H     12.56070289     10.70918615    -10.05619646
  H     17.20522917      9.22382500     -9.59969617
  O      9.00713570     10.01575663    -14.49927501
  H     11.08530947     10.63728950    -10.47398576
  H     12.70573800     13.75570663     -9.85572360
  O     16.93649780      9.43223873     -8.69763182
  H     13.26398699     11.94968965    -13.46144215
  H     11.95714042     12.54450044     -9.25898489
  O     12.37379635     13.38713978     -9.02918160
  H     12.62726825     13.14719331    -12.73574827
  H     11.17498861      8.10548129    -15.63070761
  O     10.52729145      7.81101207    -14.97846907
  H     18.67885409      8.55154752    -11.38661648
  H     11.02005209      7.68366167    -14.15614519
          69
 Energy    -251.46403839852684     
  O     13.01147401     11.15920607    -14.96877843
  H     13.08077875     12.08556216    -15.18776471
  H     17.25748299      4.74775354    -15.61159580
  O     12.78615081      4.77807091    -16.53440464
  H     13.76146407     10.95476433    -14.38471347
  H     15.27905925      4.61127552    -14.88987606
  O     14.22478894      6.09257703    -11.64198089
  H     12.44924455      4.38908381    -15.71866218
  H     14.54254099      4.83297243    -16.22643285
  O     18.53579525      5.87641525    -11.79952419
  H     12.23521809      5.54524005    -16.72963235
  H     16.08509056      8.48746275    -10.86112008
  O     12.31758311      3.46799113    -13.98738199
  H     13.47270433      6.11345252    -11.03853382
  H     15.70451334      7.05774765    -11.30447974
  O     11.18535254     10.00080964    -13.04032866
  H     13.98621024      6.65896022    -12.39404660
  H     14.17638767      7.62500510    -14.53479770
  O     11.27869909      7.15419030    -17.07301457
  H     18.94168225      6.29509796    -12.56854004
  H     13.89528863      8.64616251    -13.41809204
  O     15.03381638     10.01303298    -10.48733626
  H     17.89034689      6.50983816    -11.45905551
  H     13.09666451      9.78583109    -16.31083176
  O     19.34332653      6.96476358    -14.34183881
  H     13.24037593      3.54269501    -13.69497650
  H     14.04699523      8.62908114    -16.70206767
  O     10.95235999      7.49713119    -14.30666680
  H     12.12940637      2.53394656    -14.05124976
  H     11.36761268      6.02983948    -11.05377636
  O     17.64254871      3.46164834    -12.65951837
  H     10.88823021      9.19152052    -13.47774407
  H     11.34146772      6.11058798     -9.50841186
  O     18.13855478      4.69874929    -15.21698160
  H     11.68618255     10.48281581    -13.70803798
  H     11.99343254      9.50309556    -11.49577825
  O     15.40737397      4.91847024    -15.79725336
  H     11.95812130      7.85297751    -17.08378548
  H     12.20603611      8.27534554    -10.56613453
  O     16.44508149      7.67927635    -11.24566102
  H     10.74770550      7.27477482    -17.85543957
  H     14.70827362      4.66415210    -12.57431370
  O     13.66423085      7.76286284    -13.72716410
  H     15.09959565     10.63426249     -9.76784543
  H     15.82648468      3.65837089    -12.96612290
  O     13.20265885      9.04718256    -16.92164530
  H     14.10659907      9.70772312    -10.51525905
  H     11.24208912      4.68127085    -12.99466149
  O     11.81353578      6.41654604    -10.27761390
  H     20.19867729      7.07066247    -14.74886293
  H     10.67456196      6.10553319    -13.16070466
  O     12.51634737      9.16776832    -10.75267519
  H     18.93977185      6.17042982    -14.73664455
  H     15.48955434      6.71046126    -15.94552134
  O     14.93037362      3.94331733    -13.18316261
  H     11.89761005      7.57906380    -14.10399172
  H     16.07761333      7.98305735    -15.26169475
  O     10.76529468      5.37796156    -12.52866319
  H     10.89543039      7.37565676    -15.26175429
  H     15.79199328      9.85738706    -13.57122125
  O     15.41115404      7.67347750    -15.88896078
  H     18.13246884      2.76091145    -12.23762320
  H     15.02494939     10.35153410    -12.31491736
  O     14.98682568     10.30573087    -13.27886073
  H     17.96169287      4.29818309    -12.27527962
  H     17.94780872      8.14562255    -14.06823462
  O     17.10766148      8.55962407    -13.83404834
  H     18.04148213      4.14398504    -14.43350257
  H     16.87581898      8.21595153    -12.95888326
          69
 Energy    -251.46315606377402     
  O     12.65257951      8.14931110     -9.80009970
  H     11.92578681      8.17970830     -9.18447376
  H     15.71198783     11.57394980    -14.62946700
  O     16.43902491      5.44180123    -13.19083702
  H     13.15940389      8.97430750     -9.67912485
  H     15.86123238      7.15493039    -12.50407928
  O     13.88448712     11.99084997    -11.86031212
  H     15.70981810      4.90435034    -12.85533518
  H     14.63243900      8.10974083    -12.43047221
  O     16.38142420     12.54537489    -13.20410822
  H     16.25019037      5.62892826    -14.11946842
  H     13.87399039      6.67942398     -9.88625536
  O     11.93504762      7.05687269    -16.51080333
  H     13.37445767     11.58186977    -12.57021455
  H     15.33514391      6.17887830     -9.72372925
  O     17.15202627      6.62556487     -9.27530403
  H     14.72389580     12.24933580    -12.25863330
  H     18.83356065      7.18365168    -12.13328405
  O     13.08821109      5.96465029    -14.17967974
  H     16.75457395     13.42221770    -13.16774562
  H     17.90731979      5.95433673    -12.21239468
  O     12.83852368     10.49091494    -14.03932914
  H     17.00800755     11.95618492    -12.74741452
  H     13.90011484      3.39544978    -11.82574295
  O     13.95711435      9.95228601    -17.48601224
  H     12.20384039      6.56902365    -15.72131055
  H     14.18905793      4.83947792    -11.34779248
  O     16.81712871      8.60367062    -14.75132865
  H     12.68696978      7.02213304    -17.11462635
  H     18.57323686     10.15672284    -12.39795281
  O     15.43791029      6.35431890    -15.66821240
  H     17.69005056      6.53608601    -10.08270739
  H     17.65109885     10.39287528    -11.18887569
  O     15.35130768     10.90856633    -15.22951326
  H     17.65338087      6.22884697     -8.56788086
  H     18.44895366      8.61348349    -13.98370516
  O     15.59669618      8.07654470    -12.38955033
  H     13.31285083      5.26274020    -13.55862006
  H     19.99278107      8.64014719    -13.93872347
  O     14.45657515      5.92388467    -10.03004596
  H     12.91574597      6.75033447    -13.63696564
  H     16.25625886      8.91364390    -10.95205493
  O     18.51018343      6.43177702    -11.62442245
  H     12.22468486     10.30679151    -14.76117059
  H     16.89545745      8.48967735     -9.62633684
  O     14.11395202      4.27081303    -12.13644000
  H     13.70895924     10.61226084    -14.44534878
  H     14.27738988      8.28767827    -17.89905664
  O     18.06501948     10.83666881    -11.94222085
  H     14.48876585     10.40055948    -16.81534573
  H     14.49037259      7.21324518    -18.99207303
  O     19.21477056      8.62953521    -13.38599787
  H     13.04420215     10.00110417    -17.17632821
  H     15.04046206     10.09700013     -9.66335506
  O     16.64068746      9.26804580    -10.13334547
  H     16.40224146      8.57979228    -13.87261134
  H     13.99336226     11.00614753    -10.34986373
  O     14.35729729      7.32924160    -18.05531598
  H     16.43369045      7.85438254    -15.22470960
  H     11.48258178      8.74048591    -16.33863248
  O     14.11531004     10.37192386     -9.62811813
  H     14.61633560      6.24869200    -15.16522680
  H     10.48505029      9.88765113    -16.62841217
  O     11.35724477      9.70511709    -16.28972955
  H     15.16955778      6.59052626    -16.56500542
  H     12.75324515      9.02545053    -13.00129436
  O     12.82981215      8.15576541    -12.58406153
  H     15.92378536     10.13275058    -15.14902610
  H     12.62046273      8.22244180    -11.64417149
          69
 Energy    -251.46253167449723     
  O     17.20240688     10.24266680    -14.32514996
  H     17.81563894      9.51118362    -14.48307399
  H     14.36832868     11.26038064     -9.91485296
  O     13.97312600      6.55764114     -9.46725044
  H     16.39037950     10.05807832    -14.81838246
  H     17.26929328      5.40290949    -16.24894341
  O     17.52530345     12.32153655    -12.59048202
  H     14.56308100      7.18994545     -9.01666814
  H     17.13034952      3.86583015    -16.12306515
  O     12.47609394      8.80909545    -10.39343458
  H     13.76642149      5.87495182     -8.83529092
  H     14.67615503      6.47407072    -11.18572909
  O     14.84389027      9.53514522    -15.53644611
  H     17.83596525     13.11866478    -13.01318489
  H     15.35633564      7.59678555    -12.00776494
  O     18.76884801      8.00867009    -14.53965451
  H     17.44833064     11.64663459    -13.28823349
  H     18.32476299      7.35360860    -16.23729350
  O     20.74484216      8.64551655    -12.68360708
  H     12.91703820      9.52012757     -9.91344485
  H     17.21213872      7.39755611    -17.31969891
  O     17.41220545      5.91508993    -13.28394138
  H     12.87766154      7.98862831    -10.08315409
  H     18.91283894     10.00666662    -10.65365610
  O     11.64101396      9.09803845    -12.94184335
  H     14.42244806      8.80618045    -15.05827399
  H     18.81979163     11.21777688    -11.61231769
  O     13.43884499     11.18927380    -13.68302886
  H     15.05166156      9.19492569    -16.41538277
  H     15.04741118      7.33242064    -17.45605271
  O     14.96064458     11.76084021    -11.49621075
  H     18.28749724      7.30442101    -14.08032175
  H     15.20481605      8.13847455    -18.76942897
  O     14.03275772     10.83498683     -9.10762134
  H     19.54525138      8.21403106    -14.00294862
  H     15.52650533      9.99626796    -11.74135022
  O     16.82360714      4.69038204    -15.75498534
  H     20.32590016      9.37540792    -12.19333841
  H     16.49942809      9.45741949    -12.80395749
  O     15.04491174      6.67775707    -12.05290290
  H     21.68653848      8.78439329    -12.63258169
  H     18.32010108      7.88648571    -10.23046289
  O     17.92845137      6.85667278    -16.96600234
  H     17.20902590      5.37333214    -14.05644553
  H     17.18673661      8.85006097    -10.65321233
  O     19.42491943     10.55420163    -11.26544048
  H     16.57427521      6.08630196    -12.83186635
  H     12.77665133      7.93466569    -13.85333475
  O     15.48957073      8.10227849    -17.86024560
  H     11.91113351      8.98807902    -12.01205873
  H     14.00794083      7.07236484    -13.47898673
  O     16.02633366      9.21294375    -11.99898918
  H     10.68778770      9.11534063    -12.95169063
  H     19.85855407      7.20433647    -11.68798838
  O     17.81559448      8.66115460     -9.94100903
  H     13.90277658     10.78897136    -14.42866330
  H     18.66604231      6.24600804    -11.87431133
  O     13.51228430      7.43394102    -14.22721465
  H     12.74448609     10.56151874    -13.44551268
  H     15.09447941      9.33350751     -8.52682791
  O     19.23249985      6.65143145    -11.20521209
  H     14.38759007     11.67508454    -12.27580630
  H     16.40288591      8.53855623     -8.76603748
  O     15.51950925      8.48102135     -8.37541908
  H     15.81873895     12.08860579    -11.79167117
  H     13.97588397      6.41564378    -15.71093190
  O     14.39154064      6.03347626    -16.49624548
  H     13.75407276     11.53650426     -8.52420439
  H     15.10888684      5.46921026    -16.18312692
          69
 Energy    -251.46227253486282     
  O     12.56220941      9.27756870    -16.45798236
  H     12.21489981     10.15430794    -16.21247402
  H     16.76998230      8.38602220    -11.70672212
  O     11.73016612      8.41601418    -12.50814841
  H     12.69035757      9.28868572    -17.40255909
  H     15.05265090      7.53266109    -13.13558495
  O     13.93843577      8.50157204    -14.16550283
  H     11.34244173      9.28630055    -12.33991664
  H     15.82320233      6.24338558    -12.77051854
  O     13.73029528     12.77842776     -6.87740056
  H     12.20195398      8.14135477    -11.71121085
  H     13.74425357     15.47079889    -11.60345125
  O     11.43675381     11.62189275    -15.66602180
  H     13.60160426      8.69669400    -15.04904518
  H     14.49584875     14.15589824    -11.30001940
  O     14.09707281      7.99374610     -7.78937119
  H     13.16208466      8.46629034    -13.58417911
  H     13.76437170      7.73031740     -9.56998756
  O     13.93350837     10.59755592    -10.60818841
  H     13.22813442     13.21644141     -7.58908607
  H     14.32567437      7.44556142    -11.00851898
  O     12.58052167     10.19413807     -7.33150935
  H     13.73051161     13.37341331     -6.13309137
  H     18.18808686     11.56795493    -13.04323635
  O     16.04386072     13.42326502    -10.97077600
  H     11.80635801     12.13460492    -14.93565540
  H     17.36711345     10.62739001    -12.12765961
  O     11.41171718     11.21301104     -9.67933416
  H     10.53704378     11.39407174    -15.40012907
  H      9.87178415     10.87450061    -12.99577120
  O     12.49390043     12.68617316    -13.26356118
  H     14.01336162      7.40356361     -7.04527854
  H     11.19145738     11.58739149    -12.59790355
  O     17.26443048      9.11981535    -11.32810446
  H     13.55101791      8.77520167     -7.58787316
  H     15.06465066     12.16411928     -8.02509499
  O     15.55149197      7.09153674    -12.42792466
  H     14.21296538     10.82225564    -11.50343930
  H     14.99329542     11.37636837     -9.36175065
  O     13.61185052     14.53975643    -11.44197759
  H     13.89170188      9.63389433    -10.55782592
  H     14.53835977     10.16521403    -13.65459203
  O     13.58288502      7.81572912    -10.51543236
  H     11.99212630     10.44858369     -8.05489078
  H     15.62299301     11.20186765    -13.19351668
  O     17.33560298     11.46277657    -12.63077979
  H     12.97998943     11.01778687     -7.02678899
  H      8.06800851     10.50972907    -14.87387227
  O     10.53053372     10.94661829    -12.29546975
  H     16.00965422     12.96547491    -10.11895020
  H      9.35840733      9.65912468    -14.77633683
  O     15.60327210     11.80758715     -8.74140281
  H     16.55460522     12.84998989    -11.55289375
  H     15.82875628      8.72999317     -8.29009498
  O     14.67424169     11.04805050    -13.28874611
  H     12.31797341     11.04874724     -9.98764735
  H     16.39913240     10.13166420     -8.55512862
  O      8.98786805     10.54752559    -14.62754638
  H     10.86074907     11.12159771    -10.46535937
  H     12.75263147     14.07356663     -9.79991619
  O     16.59656073      9.18888767     -8.64752322
  H     13.28488170     12.13184217    -13.35334658
  H     11.86052838     12.95357351     -9.22511275
  O     12.34546571     13.75600516     -8.98582714
  H     12.74958719     13.40711869    -12.67650798
  H     10.74222827      8.07741534    -14.08485384
  O     10.33098827      8.19840616    -14.95207756
  H     17.09628878      9.10339245    -10.37395882
  H     11.05249676      8.40969162    -15.55684994
          69
 Energy    -251.46002299056732     
  O     13.29347302      4.91312847    -15.90261860
  H     13.83385863      4.57108627    -16.62268632
  H     19.84933984      5.71104093    -15.70406425
  O     18.25836181      6.44961385    -12.32215754
  H     13.25183423      5.86888051    -16.05422596
  H     17.63356515      7.93294952    -16.00515172
  O     18.99139518      6.92822499    -18.56101656
  H     17.60767132      7.15531013    -12.45712508
  H     18.71610942      8.03992491    -17.10490935
  O     16.34262378      6.64515920    -18.96379877
  H     18.97224183      6.62452997    -12.94595951
  H     15.34876481      7.14044312    -15.73650484
  O     14.51355477      6.45256313     -9.48046636
  H     18.04330502      6.79876935    -18.74884606
  H     16.45548054      6.04246570    -15.59041116
  O     14.05483151      4.91767388    -13.26756466
  H     19.42521817      7.03990591    -19.40215992
  H     13.23286713      8.67405700    -13.31789953
  O     16.28648296      8.23716565    -13.01367373
  H     15.86832785      5.86236704    -18.65851068
  H     13.86260021      9.88539637    -14.03899701
  O     17.02089005      4.28366760    -15.86199590
  H     15.77491852      7.40839318    -18.80381735
  H     16.46203284      2.03154423    -10.28943715
  O     13.86992656      3.89881706    -10.66270933
  H     15.45001142      6.20720928     -9.58589491
  H     15.45179653      3.15879685    -10.61901032
  O     16.43311361     10.37721164    -16.67063274
  H     14.40593430      6.74487995     -8.57937550
  H     13.38835951      8.23713141    -15.53766941
  O     15.24383613      4.21872855    -17.91082746
  H     14.99448321      4.69614088    -13.28156237
  H     13.90407667      8.15223333    -17.01723214
  O     19.56093988      5.12507722    -16.41336237
  H     13.72312311      4.83653859    -14.17330882
  H     19.52731067      7.71925894    -15.00835429
  O     18.43306809      8.42114635    -16.26300901
  H     16.29188183      7.78058261    -13.87040290
  H     20.89787574      7.61520411    -14.30283191
  O     16.25096281      6.97133277    -15.43290654
  H     15.45797176      7.98554631    -12.58046148
  H     17.32890218      4.95385832    -12.86787079
  O     13.14016097      9.24902174    -14.08983715
  H     16.95772438      4.07738826    -14.91979381
  H     16.72968362      3.61942595    -12.35177590
  O     16.39192418      2.90521649    -10.66316512
  H     17.94919874      4.47377065    -16.06499846
  H     16.96968394      4.63655210    -10.04367441
  O     13.66967448      7.63189693    -16.24020604
  H     13.92350199      4.72509648    -10.16747561
  H     17.61240739      5.91775529    -10.60978864
  O     20.05929578      7.17126836    -14.40733743
  H     13.74505083      4.15697231    -11.58737558
  H     13.97089213      7.17829687    -11.11365982
  O     16.79737273      4.18863131    -13.12803684
  H     16.12492278     10.59619766    -15.78264177
  H     13.84099539      6.54479760    -12.52213779
  O     17.07037431      5.58363224     -9.88422122
  H     17.24393770      9.86592104    -16.55211087
  H     15.96034333      9.91301783    -13.56286188
  O     13.85267101      7.39064735    -12.04747651
  H     15.25690012      3.38815192    -18.38036290
  H     15.84544083     11.43958686    -13.34916508
  O     15.63141157     10.73747542    -13.95880511
  H     15.89566593      4.14301113    -17.19129362
  H     14.45812004      9.60844493    -19.03562784
  O     14.82730863      9.01581796    -18.38620317
  H     19.46050324      5.68108153    -17.19730453
  H     15.39622818      9.55276119    -17.80597803
          69
 Energy    -251.45988286280269     
  O     11.88418658     10.94594671    -10.39956451
  H     12.50645383     10.39886764     -9.89843546
  H     12.17605455      8.93491560    -13.99913283
  O     11.39784170     11.40185666    -16.94149916
  H     12.21630324     11.85162959    -10.36913058
  H     16.60722147      7.31301178    -12.72250061
  O      9.12887931     10.42766447    -13.49200794
  H     11.37605928     11.97671981    -17.70140980
  H     15.18017119      7.61328807    -12.21363572
  O      9.97595019      7.59015113     -8.79532370
  H     12.33679929     11.19608802    -16.77057788
  H     14.88932642     10.75102178     -9.66634144
  O     13.21791802     13.41195035    -10.45549663
  H      9.18869162      9.94798553    -14.32520493
  H     14.67907151     12.19976940    -10.16268632
  O     13.95244581     10.90485426    -16.35158534
  H      9.68955280     11.20327909    -13.62128897
  H     10.34374032     10.02214305    -16.44654000
  O     13.24500685     13.85675201    -13.12500700
  H     10.05606413      6.71885482     -9.20295118
  H      9.30818957      8.92753015    -16.78958907
  O     15.53567438     10.67110170    -12.73717362
  H      9.75501886      8.20150325     -9.51020492
  H     13.81517819      6.59399870    -10.34262147
  O     13.18859068      5.63453316     -8.95107591
  H     13.24520225     13.61709395    -11.40717351
  H     13.00920871      7.25970398    -11.47945629
  O     11.21307689     12.25859712    -14.21795222
  H     13.07705596     14.23821199    -10.00129974
  H     10.86261716      5.79626567    -10.97460012
  O     12.74620052     10.29707206    -12.98034159
  H     14.45591519     11.53673162    -15.82672754
  H     10.16775417      4.46898401    -10.59056970
  O     11.89838624      8.16277340    -14.52013329
  H     14.23997436     10.02119891    -16.07983924
  H     11.43454090      7.32026948    -13.00685151
  O     15.86053428      7.89324067    -12.84899013
  H     12.45571967     13.47319461    -13.53053845
  H     10.74796851      7.86654933    -11.72442532
  O     15.31558451     11.47387343    -10.14600125
  H     13.98999522     13.55069556    -13.65588607
  H     15.06256536      8.13935840    -14.61891647
  O      9.83555278      9.28120658    -16.07753794
  H     15.77875756      9.73857009    -12.77495194
  H     13.63936861      8.11805973    -15.19637624
  O     13.88284266      7.23410782    -11.06704040
  H     15.55345857     10.95581249    -11.81007285
  H      9.43048340      9.63627017    -11.88340074
  O     10.66029459      5.20195310    -10.23090198
  H     12.95668152      6.28592899     -8.27749520
  H     10.44237348      9.92387848    -10.74799815
  O     11.26324668      7.12565127    -12.07601034
  H     12.34678536      5.32304036     -9.30909239
  H     12.05078213      7.89473033     -6.40930341
  O     14.55286216      8.35739340    -15.40634242
  H     11.22345086     12.11368141    -15.17103870
  H     11.40171470      7.80627085     -7.81126359
  O      9.80631625      9.26887966    -11.07043894
  H     11.78772362     11.57529030    -13.83710699
  H     16.24365167     13.02243015    -14.77959733
  O     12.25333570      7.84452402     -7.33941792
  H     13.70160502     10.43041885    -12.96245351
  H     15.53345132     11.94150740    -13.93167052
  O     15.38854272     12.64441401    -14.58969845
  H     12.41810867     10.47445314    -12.08917890
  H     13.87609799      8.64118416     -9.86123615
  O     13.75563281      9.31808398     -9.18111525
  H     11.17830208      8.45188155    -15.09234613
  H     13.31536518      8.88312245     -8.43965812
          69
 Energy    -251.45271262070310     
  O     11.98233413     10.10029216    -15.49943916
  H     11.54008672      9.54021943    -14.85103872
  H     18.92024361      8.49906503    -14.87453336
  O     16.12960762      6.69871689    -12.93826071
  H     12.57519823      9.52537556    -16.00341877
  H     14.99560636     11.97414282    -15.67026297
  O     16.54406988     10.60996872    -11.31443004
  H     15.77767804      7.44187944    -13.45499122
  H     16.46057821     11.58922447    -15.36684468
  O     17.40183104     10.82966980    -13.99149958
  H     16.86114060      7.06781984    -12.42887866
  H     16.00893203      9.50173486    -14.38655447
  O     13.73780192      5.73276537    -16.32234879
  H     15.64336703     10.68586224    -11.66163123
  H     14.80368082      8.79325982    -15.09962697
  O     13.66817623      8.85309745     -8.72222478
  H     16.45539958     10.57411842    -10.35396483
  H     11.29852315      8.59837731    -12.66404052
  O     13.81266223      6.35917592    -11.53176295
  H     18.18179453     10.26386324    -14.05500034
  H      9.88587356      8.39449313    -13.25423090
  O     14.05465170     10.66180802    -12.54510529
  H     17.20398912     10.92829181    -13.05114305
  H     16.85753347      8.43262793     -8.82930689
  O     14.72830179      6.19858766     -8.87415516
  H     13.26301962      5.82200307    -15.47588946
  H     17.56386587      7.64185392     -9.94326195
  O     17.96288167      8.02034523    -16.20561585
  H     13.32480496      5.01455699    -16.79410423
  H     12.85613728      6.04322419    -13.12259999
  O     16.50312610      5.76449011    -15.56716186
  H     13.91543569      7.92131848     -8.66221427
  H     11.81166378      6.85157481    -13.91374032
  O     19.39324177      8.85041976    -14.09666187
  H     13.11422045      8.92703018     -9.50879102
  H     18.63488987      8.38220750    -12.42802579
  O     15.83012421     11.73146998    -16.08752356
  H     14.65344843      6.41650483    -12.01164803
  H     17.54281255      9.05055899    -11.55586140
  O     15.24777719      8.92311365    -14.25269072
  H     14.04001683      6.16690948    -10.61456193
  H     16.08899523     10.69495985     -7.79612524
  O     10.81060000      8.43007323    -13.48731762
  H     14.40224174      9.97052324    -13.13326312
  H     15.15627225      9.76760644     -8.61166962
  O     17.08228357      7.53746632     -9.11271449
  H     13.77940630     11.37638136    -13.13089424
  H     16.07313937     10.45877230    -17.24777578
  O     12.42943642      6.11480205    -13.98606538
  H     15.61255185      6.59721671     -8.96665138
  H     16.44156724      9.98503005    -18.67438969
  O     18.06811275      8.24345429    -11.65920036
  H     14.80916170      5.49564391     -8.23533542
  H     12.99635140      9.50757550    -11.67635230
  O     16.04600719     10.16374094     -8.58660088
  H     17.47969154      7.19340981    -16.05613268
  H     12.95526560      7.96498403    -11.40215332
  O     16.20447444      9.67056367    -17.80606085
  H     17.42538178      8.55471027    -16.79847028
  H     12.80579637     11.54183708    -15.03626502
  O     12.45704892      8.79169480    -11.30762664
  H     15.59456259      5.66254526    -15.87301794
  H     12.83479969     13.08214998    -14.87986541
  O     13.34616678     12.29243936    -14.72619024
  H     16.44222814      5.89009097    -14.61049032
  H     13.89247082      7.52882455    -16.70176367
  O     13.93211233      8.49407739    -16.68407644
  H     20.32086320      8.84823834    -14.31553321
  H     14.67465944      8.78874002    -17.22713620
          69
 Energy    -251.44845230740759     
  O     15.79376860     11.48895375    -16.43408989
  H     16.01046482     11.03198168    -17.25562200
  H     19.74067117      6.61172579    -14.21890813
  O     14.91411724      6.26692509    -16.31327920
  H     14.92740717     11.16033117    -16.16411107
  H     18.58586965      7.82979305    -17.57754938
  O     17.84689679      7.65309491    -11.70660846
  H     15.34089598      5.48270292    -16.67818437
  H     17.77279000      9.13110488    -17.89639135
  O     18.74185969      6.02670098    -17.58988861
  H     15.62523263      6.79121516    -15.90777337
  H     16.82809394      8.38554586    -14.50398463
  O     13.50383638      8.86990532    -10.46660329
  H     17.37658344      8.38160067    -12.14220016
  H     17.41400394      8.16733551    -15.93063045
  O     14.02847718      6.38819047    -13.69470531
  H     18.75165961      7.70048518    -12.03489640
  H     13.42515575      9.91838009    -14.76063458
  O     16.52859408      9.57434785    -13.12458947
  H     18.00260376      5.40828251    -17.59295248
  H     12.44575975     10.74081170    -15.62483092
  O     17.43103345      3.95838249    -14.51462544
  H     19.12049810      5.95839267    -16.70202812
  H     14.68755647      4.23105533     -9.39550007
  O     12.78357467      6.15583613    -11.17062040
  H     14.36320284      8.51184009    -10.17893761
  H     14.08001360      5.30807936    -10.32856423
  O     19.62613597      9.85004845    -15.00382184
  H     13.17174971      9.39684159     -9.74488070
  H     14.31751200      7.67825849    -17.31597356
  O     16.56279799      4.14000266    -17.08132994
  H     14.14707570      6.24251923    -14.64192482
  H     13.75219294      9.08830798    -17.03358885
  O     19.18468698      6.08752775    -14.80442383
  H     14.83243925      6.05788051    -13.26680451
  H     20.09377732      8.70881266    -13.76134039
  O     18.43961193      8.75122121    -17.31154242
  H     16.84004802     10.41161662    -13.49024265
  H     21.21092260      8.20508870    -12.81926886
  O     16.93919613      7.73531914    -15.20630556
  H     15.56381793      9.55216704    -13.15540332
  H     15.89997939      5.12576324    -11.53374189
  O     13.30752008     10.33056049    -15.63187016
  H     16.94460557      4.30494464    -13.75620154
  H     16.88678759      6.13335610    -12.18351481
  O     14.91171290      4.97720761     -9.94428853
  H     18.20845153      4.53104043    -14.58133442
  H     15.59994725      6.74221423     -9.63095972
  O     14.13326772      8.53512071    -17.72540118
  H     13.02524204      6.14758546    -12.10728059
  H     16.62025475      7.71043013    -10.26072599
  O     20.31449740      8.03314987    -13.09453139
  H     12.84655022      7.07804624    -10.89385305
  H     15.49986921      9.32862289    -18.43823881
  O     16.27840383      5.40651520    -12.37607479
  H     19.01967374     10.57363692    -14.80941115
  H     16.15071493     10.04120503    -19.64876452
  O     15.82732749      7.67731342     -9.71040977
  H     19.36011570      9.50780880    -15.86833162
  H     13.60104544      9.14582130    -12.28086659
  O     16.27151069      9.85188675    -18.72232228
  H     16.84438489      3.99438633    -16.15950026
  H     13.85667444      8.15148658    -13.44380285
  O     13.78663465      9.09446720    -13.22735272
  H     16.48339157      3.27845010    -17.48152735
  H     17.71289777     12.71742546    -14.26955612
  O     17.57720829     11.79076019    -14.44642479
  H     18.35692411      6.58710567    -14.88567319
  H     16.96157008     11.73352738    -15.19996278
          69
 Energy    -251.44603370749485     
  O     17.93860390     10.20653998    -14.16588961
  H     18.29312316      9.32929143    -13.98082047
  H     15.65902300      5.15302814    -12.46290058
  O     16.03682982      3.88534637    -15.36380074
  H     17.32837783     10.40018594    -13.43968107
  H     12.77280164     10.12015784    -11.85359687
  O     12.43995944      7.75460754    -13.86273082
  H     15.17389004      4.18078296    -15.70835604
  H     12.44171426      8.69500479    -12.35239368
  O     11.68090236      7.18300264     -9.83996151
  H     16.22206412      3.04425906    -15.77334524
  H     15.59098595      7.51350747    -13.46640374
  O     13.61074090      4.76469776    -16.13954577
  H     13.38870956      7.92159699    -13.97890131
  H     15.36370270      9.03197824    -13.59504695
  O     16.61000773     10.80528542    -16.45134537
  H     12.34762626      6.79854098    -13.76631989
  H     19.69805589      7.29584034    -13.44067844
  O     17.66287254      6.21415721    -15.61154917
  H     12.47183214      7.02016812     -9.31181009
  H     18.43583279      7.03087380    -14.29810798
  O     14.21931708      6.47769085     -8.66404881
  H     11.86890133      7.97240061    -10.36438246
  H     12.13586437      8.70652474    -15.43758808
  O     15.85895989      8.12367974    -16.65483182
  H     13.47845387      5.55054744    -16.68262664
  H     12.61605088      8.51427374    -16.87940936
  O     11.17003175      4.81358730    -11.07422805
  H     13.04780906      4.85017040    -15.35963270
  H     13.37734085     10.52098158    -15.70197836
  O     13.85595368      4.27216499    -10.20769398
  H     17.06469553     11.48992643    -16.93419730
  H     14.82210918     11.09342437    -15.71919797
  O     15.12447425      4.38917446    -12.72905952
  H     17.14048070     10.62534995    -15.65375458
  H     11.93404679      4.87010232    -12.77108403
  O     12.61646639      9.21721457    -11.55407766
  H     17.15930159      5.39480525    -15.53346609
  H     13.40557917      4.80583341    -13.24371475
  O     15.15102282      8.18405823    -14.00345993
  H     17.11536929      6.82573341    -16.12074864
  H     13.63718315      7.04992152    -18.73158582
  O     18.77702373      7.52624544    -13.53041268
  H     14.41982906      6.21928131     -7.76864663
  H     14.43329642      7.45887961    -17.46983582
  O     12.29924116      9.18374081    -16.26301102
  H     14.16044381      5.65761769     -9.18673994
  H     13.12283291     12.57258383    -12.60580548
  O     13.96886578     11.16233881    -15.28007437
  H     16.16459331      9.02740742    -16.79951885
  H     13.58634399     11.53313261    -13.65554472
  O     12.50485175      5.00751771    -13.53723143
  H     15.56051179      8.10333029    -15.73088910
  H     16.13088684      7.27982998    -11.48352936
  O     13.58417278      7.09977478    -17.78015530
  H     11.27197281      5.68664843    -10.65466547
  H     17.36484861      6.99274275    -12.42536812
  O     13.45082443     11.68285803    -12.70064799
  H     10.32906521      4.46776120    -10.78785075
  H     15.76968100      9.80950052    -11.53553967
  O     16.51774891      6.65247667    -12.11017600
  H     12.92621963      4.29776852    -10.46597386
  H     15.12549611     10.95658113    -12.36057981
  O     15.90524654     10.38984413    -12.29583462
  H     14.35616961      4.16253946    -11.02674427
  H     14.89077789      7.80970280     -9.75508641
  O     15.08799518      8.41063267    -10.48480454
  H     15.49404845      4.08099466    -13.56463355
  H     14.23155637      8.65931060    -10.86417353
          69
 Energy    -251.44520695120579     
  O     17.55669550      7.94233940    -16.07756947
  H     18.19159296      8.06110610    -15.36258193
  H     17.36421903      9.31162123    -17.22394607
  O     15.22841845     10.23444404    -11.16680887
  H     16.72857516      7.67902057    -15.65575892
  H     14.34244411     10.66869234    -18.86548654
  O     17.94368980     15.54299243    -14.40809703
  H     14.81837276      9.71817519    -10.46241934
  H     15.60567314     10.58595533    -17.97096507
  O     15.15067966      7.61606961    -14.60225443
  H     14.52142043     10.45917580    -11.79011329
  H     17.96337588     13.25285143    -12.32649848
  O     13.87225163      8.43062955     -9.49765435
  H     18.27690580     14.84008093    -13.82230174
  H     19.02281561     12.72005687    -13.32094428
  O     15.10528557      6.49882841    -10.96491743
  H     18.39384931     16.34484497    -14.15596460
  H     19.82197838      7.90898582    -13.35821456
  O     16.42167566     11.64140152    -14.45518906
  H     14.43925745      7.11813647    -14.18210427
  H     18.37182225      8.42047245    -13.19403429
  O     13.18451535     10.98811843    -12.92949663
  H     14.77562010      8.45835708    -14.89977739
  H     12.44566803      5.77959224    -13.24356648
  O     16.77319010      8.28816486    -12.45944879
  H     13.76828050      8.21171670     -8.57602517
  H     12.71843535      7.18514135    -12.65528377
  O     19.16188055     11.21015892    -14.45457262
  H     14.31894493      7.67493748     -9.92037045
  H     14.18722922     14.25444503    -13.34248459
  O     14.31387050     10.14196587    -15.31626816
  H     14.46837443      6.29039943    -11.66048795
  H     13.15365215     14.39616082    -12.20192035
  O     17.22727862     10.10579018    -17.76189103
  H     15.82696464      6.96678078    -11.40415478
  H     17.21460959     13.86993357    -16.96924204
  O     14.67579356     10.88459165    -17.99983575
  H     17.35881795     11.42568603    -14.54293235
  H     18.18023006     14.67335566    -16.08717534
  O     18.75596514     13.50280427    -12.82109708
  H     16.32097435     12.06213106    -13.59324783
  H     15.41240974     13.18661390    -11.96102806
  O     19.17511966      8.49844668    -13.73746688
  H     13.26320517     11.94859691    -12.87932653
  H     16.01143128     11.86067031    -11.43122011
  O     13.14102768      6.40410408    -13.05557989
  H     13.44619379     10.72020788    -13.82226387
  H     15.88079267     12.68983002    -15.86096699
  O     13.73747120     13.77186473    -12.62489108
  H     16.33369283      9.02306128    -12.01146338
  H     15.13137608     12.53895384    -17.20150186
  O     18.14396793     14.12173027    -16.87766166
  H     16.22352599      8.05582119    -13.22360084
  H     12.34530909      9.46953750    -12.19758406
  O     16.24234931     12.71034045    -11.83261032
  H     19.39650865     11.33341455    -15.38412119
  H     12.58284927      8.60536246    -10.93943462
  O     15.52589630     13.19100035    -16.61235672
  H     19.27902355     10.27846376    -14.23056203
  H     16.05028909     15.29206489    -14.45168657
  O     12.15395325      8.60801972    -11.80409511
  H     14.25443768     10.33411630    -16.25948993
  H     15.11088913     14.50339890    -15.37864079
  O     15.13080546     15.02032569    -14.56143478
  H     15.11081903     10.59831097    -14.99864948
  H     19.05344619     12.66947785    -17.09840385
  O     19.48284387     11.79701331    -17.16712251
  H     18.00129580     10.66308921    -17.63273066
  H     20.21776463     11.89753367    -17.76588993
          69
 Energy    -251.44386056446902     
  O     11.95331433     11.17032075    -15.25080430
  H     12.34007494     11.87681426    -14.71998324
  H     14.99934677      6.62952274    -16.86717060
  O     15.44613407      6.84276946    -13.84003620
  H     11.44847198     10.60969870    -14.64931185
  H     18.65170279      8.04111052    -14.41887660
  O     16.45563416      9.82744009    -10.93700448
  H     14.59598940      6.68354783    -13.41041696
  H     18.39166010      7.66653545    -12.92745408
  O     17.36823207     11.42700661    -14.50834953
  H     16.09551776      6.90258003    -13.12773269
  H     16.17804682     12.67681225    -15.13579899
  O     13.17461622      7.21003620    -17.10065147
  H     17.29190527     10.19732290    -11.24565783
  H     15.38497574     12.74005960    -16.45058552
  O     14.38793004      8.46717293     -9.49339166
  H     15.75765963     10.28720867    -11.42622843
  H     14.81407280      9.60577156    -15.38844659
  O     13.17174050      6.48919365    -12.31743604
  H     16.72030856     10.70435134    -14.52650433
  H     15.41391066      8.57587487    -14.38200895
  O     14.37428952     10.88351838    -12.44505597
  H     17.91017620     11.29484987    -13.72377929
  H     10.90448680      8.50568444    -14.02432836
  O     17.79703949     10.43919646    -17.08256790
  H     12.68628614      7.04587654    -17.90398350
  H      9.61094464      9.22733597    -13.57746927
  O     14.95787945      5.90111184    -10.15389761
  H     13.34830853      8.16736581    -17.07072108
  H     12.20692454      7.02714012    -15.44718370
  O     18.25282621      7.73368758    -16.28793474
  H     15.12579850      9.01106468     -9.79825884
  H     12.15366095      6.66313524    -13.93440585
  O     15.87527897      6.44235644    -16.51340275
  H     13.62262689      8.73215031    -10.02032710
  H     19.70896609     10.87217701    -11.93144684
  O     18.91352737      8.23214265    -13.51052320
  H     13.68195336      6.10103936    -11.59672930
  H     18.95513536      9.77030607    -12.71737916
  O     15.43051909     13.11737136    -15.56533383
  H     12.92828106      7.38095076    -12.02580075
  H     16.84921701      8.07180369    -11.36963168
  O     15.35310310      9.51571132    -14.59261893
  H     14.04539548     11.73263178    -12.76164641
  H     16.49342490      6.59386827    -11.08612977
  O     10.56123389      9.30706247    -13.58801876
  H     14.66707475     10.39153740    -13.22848569
  H     15.68456470     11.96737653    -18.89674784
  O     11.66036008      7.07603636    -14.65438391
  H     17.84339981     10.87669465    -16.22104016
  H     16.37200550     11.16318550    -17.76750512
  O     18.84569151     10.61661175    -12.24468543
  H     17.95509989      9.50529501    -16.90027950
  H     13.13094986      9.75486885    -11.82884544
  O     17.05459906      7.16092984    -11.62899593
  H     14.92585423      5.30379099     -9.41153707
  H     11.71728674      9.20739130    -12.10178863
  O     15.54212108     11.60359831    -18.02724355
  H     14.74072278      6.78818443     -9.81217961
  H     14.12212484     13.19997747    -14.44507402
  O     12.48862408      9.09206425    -11.53362896
  H     17.40483980      7.27974605    -16.43472281
  H     13.17130897     14.04167108    -13.55937440
  O     13.40692732     13.14610006    -13.78443396
  H     18.91683234      7.21158865    -16.73285806
  H     14.26805977     10.47361525    -17.33725438
  O     13.71692301      9.85837942    -16.83853734
  H     15.74881597      6.41517421    -15.55242171
  H     13.04920555     10.36302905    -16.34627784
          69
 Energy    -251.44239793104111     
  O     12.58784468     11.58378522    -15.51903516
  H     11.91726863     11.33477640    -14.86204186
  H     16.06186131     10.22727250    -15.14950725
  O     15.10275229      7.57980625    -13.48653459
  H     13.05058540     12.36637962    -15.19520776
  H     13.83715180     10.48826614    -14.68874732
  O     16.80967327     11.12451727    -11.01146662
  H     15.84098976      7.72607039    -12.88048546
  H     14.63546272     10.71132423    -13.38668228
  O     16.72475588     12.88147785    -14.75018271
  H     14.84258873      8.46528265    -13.79088615
  H     11.29637688     10.69036116    -12.67604171
  O     12.24549433      7.63649233    -16.18641227
  H     17.51293321     11.57344535    -11.49508910
  H     10.74393847      9.71850724    -13.73078821
  O     13.17051383     10.01837481     -8.47613391
  H     15.97298818     11.49118855    -11.33486589
  H     16.63058199      6.54277305     -8.73054115
  O     12.72830494      7.70922981    -12.01762422
  H     17.38854282     12.81122665    -14.05433611
  H     15.36249274      7.20065251     -9.32458316
  O     14.43398823     11.97155306    -12.05140519
  H     16.82190325     12.07528690    -15.27553640
  H     11.24415603      7.73880432    -14.79488225
  O     13.61867193      7.32111957     -9.38898618
  H     12.38900990      8.39435502    -16.76602281
  H      9.92418701      7.31997457    -14.10254533
  O     14.83285714      6.49482721    -15.98673314
  H     13.08092247      7.15400504    -16.16270629
  H     18.80588120     11.30506761    -13.14569085
  O     18.69820666      9.67812183    -13.75476772
  H     12.88179196     10.33577688     -7.62490674
  H     19.59330776     12.55489124    -12.68384692
  O     16.82012448     10.26574945    -15.75070498
  H     14.14167106     10.09682426     -8.49055482
  H     16.93832137      7.92560213    -10.91602886
  O     14.55471290     10.13044681    -14.15338115
  H     13.54371700      7.56243816    -12.51600071
  H     16.96193994      9.34920046    -11.50961215
  O     10.93093805     10.65195669    -13.56879718
  H     11.99699427      7.65119507    -12.64504234
  H     16.15197237      9.10945392     -8.71733777
  O     16.33355402      7.26357142     -9.27916176
  H     14.19074785     12.64158774    -12.70097663
  H     16.27873281     10.50764350     -9.35123306
  O     10.71991563      7.83025041    -13.97848621
  H     13.63759855     11.52377636    -11.73013195
  H     15.33822606      7.94439736    -17.16873689
  O     18.71207667     12.20436098    -12.78004947
  H     13.35173399      8.15510885     -8.98391169
  H     14.64956619      9.18986379    -17.75539275
  O     17.07647625      8.41484420    -11.73678668
  H     13.23499769      7.32564167    -10.27642247
  H     12.54510296     10.33695286    -10.19347119
  O     15.88028696     10.02909373     -8.61143361
  H     14.99921174      6.79215481    -15.07631630
  H     12.54542939      9.46532591    -11.46940242
  O     15.50842051      8.76216803    -17.65225685
  H     15.19110933      5.61377313    -16.05838352
  H     15.08497470     13.40081616    -14.51565203
  O     12.39113423     10.36510463    -11.14643271
  H     18.12167586      9.76643908    -14.52766710
  H     14.08110676     14.57510761    -14.41221683
  O     14.15448112     13.62799738    -14.33104433
  H     18.25785237      9.07738507    -13.14212052
  H     12.75302757     10.60804663    -16.98502893
  O     12.87353841      9.95718826    -17.69689167
  H     16.53753813      9.78106733    -16.53720763
  H     12.45805083     10.32198176    -18.47442703
          69
 Ord_Energy   -251.436874    
 O    3.46982956       1.37327182      -2.41946054    
 H    3.31711721       1.25352621      -3.36358333    
 H    2.60622931       1.25601053      -1.99446070    
 O    2.37938571      -5.16400766      -2.40962887    
 H    2.08671069      -5.00010395      -3.31467748    
 H    3.34204268      -5.25479174      -2.40916014    
 O    4.89725018      -4.19967127      0.439171016    
 H    5.09817219      -3.28861809      0.688425422    
 H    4.13227320      -4.45656157      0.967683613    
 O   0.970478177       1.09556234      -1.20634770    
 H   0.815301538      0.233257011     -0.790675282    
 H    1.03414679       1.73252189     -0.484891206    
 O   0.258284301      -8.36180076E-02  -3.68787813    
 H   0.360286832      0.412713289      -2.86533737    
 H   0.976519585      0.215764821      -4.25529432    
 O   0.651272357      -1.38535798     -0.116650753    
 H    1.19862890      -1.61012423      0.649146914    
 H   -4.51200716E-02  -2.04516983     -0.218946531    
 O    1.51095366       2.68727398       1.04964459    
 H    1.78319395       2.00145483       1.68589449    
 H    1.03595853       3.34901977       1.54473364    
 O  -0.557595670      -2.72927904      -3.40468478    
 H    2.73439903E-02  -3.25641680      -3.95664525    
 H  -0.314105630      -1.80104601      -3.54282022    
 O    2.73085380      0.582825065      -5.05612326    
 H    2.92261028      0.853377759      -5.95032883    
 H    2.93483377     -0.365910083      -4.99952078    
 O    3.15877557      -2.09059811      -4.58662224    
 H    4.08478975      -2.35112572      -4.46766758    
 H    2.78439903      -2.06801653      -3.69126773    
 O    1.45933878      -4.21897936      -4.92337275    
 H    2.07628703      -3.46938682      -4.96937990    
 H    1.33813584      -4.53321743      -5.81578112    
 O    5.64330673      -2.78475261      -3.68721294    
 H    5.56130695      -3.61330009      -3.19898248    
 H    5.60084009      -2.08723474      -3.01773143    
 O   0.838936448      -5.20829487     -0.100516461    
 H    8.36335123E-02  -4.65304327     -0.327331781    
 H    1.33767247      -5.33383083     -0.919922531    
 O    2.52746487      -2.38740158      -1.91913331    
 H    2.44208646      -3.34770250      -1.93521261    
 H    1.82617784      -2.03719258      -1.35818076    
 O    5.26303053       1.16578817       2.05527186    
 H    5.95863008       1.66303170       2.47673249    
 H    4.96030569       1.69544566       1.29544687    
 O    5.05167341      -1.42762113      0.988954842    
 H    5.06444836      -1.22423959       4.09567803E-02
 H    5.25179195     -0.599805534       1.44160271    
 O    2.51551008      -4.72793245       1.94788742    
 H    2.39851308      -5.39228725       2.62127376    
 H    1.88265228      -4.93295288       1.23567069    
 O   -1.17977858      -3.36427259     -0.864211977    
 H   -2.12700057      -3.42304039     -0.776193202    
 H  -0.996406615      -3.16200352      -1.80078185    
 O    5.16479254      -5.13152933      -2.08604503    
 H    5.79725504      -5.84538507      -2.07130003    
 H    5.10778856      -4.79282665      -1.17360508    
 O    4.84100485     -0.948404133      -1.69498193    
 H    4.51259756      -7.59189725E-02  -1.94672728    
 H    4.06439638      -1.53097522      -1.72399247    
 O    4.18768549       2.61474037       2.20738202E-02
 H    3.29257560       2.79573822      0.336225212    
 H    4.08690882       2.29621363     -0.883762240    
 O    2.45232654      -1.92628849       1.90273464    
 H    2.41676354      -2.87753725       2.06119609    
 H    3.33879137      -1.74372089       1.55710018    
 O    2.50071406      0.786795318       2.72319555    
 H    3.45550156      0.916256428       2.65658307    
 H    2.35435319     -0.156616464       2.57979417    
          69
 Energy    -251.43686838789282     
  O     -1.08911483      0.25331610     -1.70976979
  H     -0.68899290      1.11673529     -1.86674567
  H     -1.33224404      0.24974885      4.09441265
  O      0.18002004      2.78708856     -1.87755540
  H     -0.37158653     -0.32884586     -1.42312754
  H      0.50494161      0.37512090      3.18983134
  O      0.80870422      0.77052990      1.49127788
  H      0.22151224      3.40362666     -2.60322033
  H      0.84193306      1.06367287      4.52400404
  O     -3.27944993     -0.15326900     -0.20155029
  H      1.09868942      2.62940129     -1.58966225
  H      3.09296700     -0.74095308      2.68256522
  O     -2.87504662      1.87252333      1.69261523
  H      0.40200000      1.60069523      1.21826697
  H      2.55188926      0.48812639      1.92720961
  O      0.96350063     -1.19572856     -0.52909850
  H      0.71635631      0.14269688      0.76531395
  H      5.11612263      2.04361980      4.08641136
  O     -2.07215392     -1.67669852      1.90784989
  H     -4.00710806     -0.41882553     -0.75697655
  H      4.02810774      1.34856052      3.23555037
  O      2.66493498      2.33619885     -0.94684245
  H     -2.51551670     -0.00509645     -0.78827491
  H     -3.40225228      3.35624758      4.37129506
  O      3.15796047      3.61057693      1.47767137
  H     -2.63942635      1.33638985      2.46440389
  H     -3.30404102      3.32499320      2.83543750
  O      0.25209921     -2.99825492      1.49798288
  H     -3.14473593      1.25041267      1.00596024
  H      0.27368313      4.00681356      2.05073560
  O     -1.32497202      5.62829450      4.22053036
  H      0.81418923     -1.91228374      0.10272848
  H      0.13007537      4.98218425      3.24120664
  O     -2.28663562      0.29324468      3.92866453
  H      1.91439933     -1.05224474     -0.61180406
  H      2.57029018      2.55038053      4.60500382
  O      0.43854981      0.26864951      4.15295520
  H     -2.51398378     -1.24108270      1.16924791
  H      1.32793604      3.29282251      4.07096179
  O      3.37464264      0.04901747      2.19663031
  H     -2.23140579     -1.11801305      2.67922838
  H     -2.18317256      2.63316224      6.01909830
  O      4.23168710      2.15043010      3.74591368
  H      3.05725686      1.46078074     -0.88039072
  H     -3.48957405      2.15741528      6.69741790
  O     -3.34752138      3.92360724      3.59160013
  H      2.88209082      2.80494449     -0.12641195
  H      0.15635183      3.23943092      5.84088438
  O      0.76767229      4.43599331      2.76642641
  H      3.64998527      3.22946717      2.21260021
  H     -0.86538674      4.36349356      5.59310764
  O      1.63655844      2.71073437      4.78237322
  H      2.39802519      4.04996594      1.88110400
  H      4.53535430     -0.68662074     -0.78724894
  O     -3.03875711      2.19539164      5.85833444
  H     -0.59314156     -2.54618938      1.67608476
  H      3.73225384     -0.27024303      0.46760464
  O     -0.70746592      3.56902317      6.11898874
  H      0.05785458     -3.93134016      1.46007373
  H     -0.45024685      3.07826246     -0.15655831
  O      3.68126536     -0.37645564     -0.49714937
  H     -1.66029271      6.51415765      4.32752404
  H     -1.42563599      2.70928104      1.02760015
  O     -0.56745509      3.09490605      0.80091952
  H     -2.07444623      5.07677994      3.93174537
  H      1.48599943     -1.30594029      3.93508552
  O      2.04982292     -1.95723882      3.49411708
  H     -2.65589154      0.83179854      4.63847172
  H      1.47837698     -2.39826040      2.85338816
          69
 Energy    -251.43578682938681     
  O     17.48258969     17.80849026    -15.79927145
  H     17.87946459     17.81629098    -14.91091037
  H     17.79799524     12.69929052    -10.69445789
  O     21.24155591     12.20006283    -16.37334544
  H     17.19757881     18.70036401    -15.97952326
  H     21.18203135     18.17986639    -11.64860206
  O     18.78181680     14.35630098    -10.23836274
  H     20.55427194     12.66994732    -16.88161833
  H     20.19016112     17.80732599    -10.53188375
  O     14.85279046     14.67197835    -13.37345436
  H     21.90743066     11.92654961    -16.99780826
  H     21.09012733     13.45109942    -12.46157114
  O     19.92196139     10.60980450    -11.86621489
  H     19.53817176     13.97535742    -10.71004283
  H     20.72872649     12.26690990    -11.53928590
  O     15.44190024     11.87561907    -12.95048374
  H     18.21187914     14.78840403    -10.89374483
  H     16.84823397     11.87698139    -15.93500301
  O     19.33939129     13.59250129    -17.64680821
  H     14.96505051     13.72000139    -13.25581494
  H     16.46839829     11.53486220    -14.45360218
  O     21.06715626     16.63101343    -14.48394671
  H     15.21481838     14.87613534    -14.24550000
  H     18.90530732     16.82330513    -16.71212027
  O     20.12646393     16.48438442     -9.13744712
  H     19.88901547     10.56708977    -12.83896897
  H     20.29417943     16.41576451    -16.21602444
  O     21.14155282     13.89974161    -14.16783429
  H     20.20941016      9.75265821    -11.56341147
  H     23.66756833     17.73305675    -12.32020760
  O     16.48458859     13.04022727    -17.36888670
  H     16.15043330     11.90522039    -12.28205731
  H     22.71582063     16.64845360    -11.76182292
  O     17.48635071     11.91856786    -11.16502762
  H     14.75366764     11.32099408    -12.59142932
  H     19.15456708     17.96360004    -12.62748142
  O     20.29463518     18.36121497    -11.31565875
  H     18.39970372     13.38912009    -17.65274896
  H     18.11542845     16.84673393    -12.92401529
  O     20.97963890     13.19813481    -11.53219015
  H     19.42520739     14.53857453    -17.45231174
  H     22.03041564     14.58342383    -10.83742280
  O     17.16519711     11.46617839    -15.12058080
  H     20.22095683     16.90800908    -14.10477841
  H     21.72238072     15.80418021     -9.95055414
  O     19.65384945     16.25330862    -16.92019465
  H     21.74906911     16.93679372    -13.87203638
  H     18.82012594     10.72621280    -14.82923631
  O     22.78540191     17.38091172    -12.40053572
  H     19.92593308     16.61485908     -8.21418279
  H     20.29107717     11.03413480    -15.19176188
  O     18.64496145     17.54366186    -13.33595331
  H     19.58311890     15.73632393     -9.43749904
  H     19.32332865     13.85052466    -14.25447666
  O     22.38119143     15.43800993    -10.55379773
  H     21.21639062     14.84220814    -14.37280513
  H     18.05621559     12.97205374    -14.46524713
  O     19.73510277     10.56156895    -14.56171834
  H     21.33015689     13.37864494    -14.95806251
  H     17.17729484     14.80772136    -15.24234408
  O     18.35954364     13.85762937    -14.23267449
  H     15.85605496     13.04513713    -18.08607296
  H     16.65387398     16.14023395    -15.82829416
  O     16.43468106     15.20705769    -15.72273542
  H     16.35476176     13.86736887    -16.87315219
  H     17.71773885     14.78857870    -12.88735152
  O     17.27303887     15.39133224    -12.26909529
  H     18.27663444     11.40791892    -11.38182441
  H     16.33056557     15.29029360    -12.45547812
          69
 Energy    -251.43045214278629     
  O     11.45384143      9.84421466    -13.71468661
  H     11.76762970     10.68251611    -13.35568942
  H     18.37623605     10.47714853    -15.34824099
  O     16.81976097      7.09121534    -13.91809059
  H     11.89852301      9.73068428    -14.56609663
  H     14.33668861      9.22690575    -14.59741058
  O     17.05178385     10.66753415    -11.02282632
  H     16.34162925      6.59208774    -13.24268187
  H     15.55713267      8.43944678    -13.99968429
  O     14.60690947     12.75046467    -14.44745935
  H     17.46154450      7.65875833    -13.46851961
  H     10.54381974      7.23003168    -12.23859868
  O     13.68425000      6.76997734    -16.65480205
  H     17.25524057     10.31426299    -10.14845564
  H     11.41441224      8.34975219    -12.85678447
  O     15.55949880      7.40047462     -8.67660052
  H     16.09210388     10.59251938    -11.13431256
  H     18.86726946      7.82580486    -11.18675499
  O     15.22644493      5.89755615    -12.00412529
  H     14.61805026     12.40975064    -15.34651839
  H     18.52973546      8.03281605     -9.69965341
  O     14.39279610     10.34580715    -11.60391305
  H     15.50115544     12.64206291    -14.08942602
  H     12.60039451      6.50520573    -13.56197568
  O     16.49775416      7.36522683    -16.66780096
  H     13.55221234      6.46633279    -15.73769596
  H     13.97208260      5.82182999    -13.43539680
  O     17.06752499      5.31986419     -9.97822015
  H     13.26911451      6.12261319    -17.21857339
  H     17.14850390     11.88963788    -12.48677077
  O     16.81425116      9.99845198    -16.06293393
  H     14.80357826      7.54647275     -9.26088843
  H     17.89405757     11.93995833    -13.82586979
  O     19.12111890     10.72792589    -14.77564717
  H     15.99377460      6.60073636     -8.99781362
  H     17.96274785      9.52504499    -12.11287622
  O     15.08653929      9.28354943    -13.99187177
  H     15.83591135      5.54643623    -11.34316058
  H     18.87551117      9.48215559    -13.35917353
  O     11.44639118      7.48240830    -12.41361001
  H     14.71111951      6.58642724    -11.55959184
  H     17.70892679      9.53784744     -7.72679424
  O     18.81410093      7.36699719    -10.33854888
  H     13.75627883     11.04585552    -11.78623922
  H     16.77735123      8.65051104     -8.58652992
  O     13.28836411      6.06106307    -14.07292387
  H     14.65674761      9.99044126    -12.47019125
  H     15.53854814     10.98472664    -16.84332541
  O     17.13640967     12.30645804    -13.35791352
  H     16.71572101      7.11415188    -15.75717605
  H     14.84569612     11.88836798    -17.89061236
  O     18.49363915      8.93206582    -12.66581593
  H     15.57364653      7.11578083    -16.78571677
  H     13.91303441      8.74485722    -10.94809859
  O     17.52566351      9.27330807     -8.62411559
  H     17.51838393      4.54968852     -9.64356186
  H     12.83337581      7.66407010    -11.17072258
  O     14.70582477     11.43534783    -17.06295049
  H     17.74928999      5.99657760    -10.14157596
  H     12.23729534     13.05571691    -12.40982302
  O     13.66682113      7.83734781    -10.71623319
  H     16.29861266      9.95687040    -15.24304475
  H     13.32164320     12.46258044    -13.34091542
  O     12.63310722     12.23493124    -12.68857978
  H     16.78993290      9.10082035    -16.43046233
  H     13.52136932     10.08114210    -16.46199835
  O     13.06005628      9.40482322    -15.95078554
  H     19.85441537     10.93316825    -15.34960222
  H     13.23220470      8.54195858    -16.35091128
          69
 Energy    -251.42922735881876     
  O     16.05328256      4.67883438     -9.05770219
  H     16.55317203      4.07407585     -8.51467009
  H     13.45091398      7.91448822    -15.27140087
  O     14.89054589      7.88072556    -16.34137925
  H     16.59306914      4.85698075     -9.84485999
  H     16.65833374      9.36663540    -11.29079874
  O     17.45030430      9.27483480    -14.28565514
  H     15.62054370      7.34399468    -16.00952699
  H     16.62410139      9.80481642    -12.77958057
  O     14.17430935     11.77334006    -11.91076671
  H     15.23838053      8.77726500    -16.42590996
  H     13.80328552      7.86315777    -11.36622413
  O     11.23338121      6.30686839    -13.00773586
  H     17.24277463      8.34795993    -14.47253482
  H     14.88682930      8.68600546    -12.13090269
  O     19.30456133      5.78479955    -13.39915079
  H     17.05426930      9.79238233    -14.99766661
  H     14.20949488      4.62094377     -9.56136493
  O     12.77129409      4.13121006    -12.52926837
  H     14.92249565     11.15717675    -11.83971958
  H     13.14471287      4.45266100    -10.68055674
  O     17.49597473      8.05153082    -10.39022355
  H     14.36964302     12.50654027    -11.33208227
  H     18.94044178      8.38122387    -11.65318503
  O     11.57577161     10.55473203    -12.09702934
  H     11.66317952      6.84612765    -13.68533698
  H     18.89422411      8.81944505    -13.13153381
  O     14.01668456     11.69994990    -14.76427949
  H     10.96288971      6.91814455    -12.31225393
  H     14.80598663      6.42589321    -12.71921638
  O     11.50009163     10.41360696    -14.92697837
  H     20.15407537      5.42677269    -13.64130429
  H     14.38044469      4.95056028    -12.92992159
  O     12.77533363      8.04627129    -14.59084591
  H     19.46084408      6.69262120    -13.08095449
  H     15.26322845     11.00240743    -15.73790678
  O     16.19216594      9.93202406    -11.92276433
  H     12.16953176      4.87996386    -12.69546416
  H     16.16188536     11.13598390    -16.99055214
  O     14.21043160      8.00683497    -12.23170258
  H     12.34307250      3.35335396    -12.87572390
  H     16.26325596      6.14725075    -14.27795045
  O     13.28860335      4.79720178     -9.79104415
  H     17.47169486      7.16600857    -10.77547735
  H     17.78542248      6.21119668    -14.52082830
  O     19.42742574      8.33592732    -12.48591787
  H     16.90004588      8.00564806     -9.62724059
  H     10.94654393      9.11378116    -11.36610500
  O     15.12867561      5.55436372    -12.99731165
  H     11.43726623     10.59667001    -13.05158188
  H      9.77038014      8.45652164    -10.60619795
  O     15.95305436     10.55738291    -16.26230997
  H     12.44095153     10.94979723    -11.93788936
  H     16.54469688      5.37673092    -11.93817077
  O     16.94232248      6.56210105    -14.83055197
  H     13.12759846     11.35187911    -14.90816430
  H     18.09142502      5.36384933    -12.00713677
  O     10.62393705      8.27482576    -10.99055228
  H     14.09693040     11.83117542    -13.81222282
  H     15.70683568      6.54962913     -8.51522238
  O     17.34758644      5.37933767    -11.39404616
  H     10.80444855     10.35045527    -15.57540043
  H     14.68289746      7.64886711     -8.83682792
  O     15.58212169      7.50631377     -8.51246918
  H     11.90901775      9.53162035    -14.86222218
  H     12.15320853      7.78632520    -10.03396178
  O     13.04291014      7.51597791     -9.77891344
  H     13.24090505      8.11328757    -13.74345155
  H     13.04713409      6.54557456     -9.73471515
          69
 Energy    -251.42893715157942     
  O     12.40038070     12.55532736    -12.95338029
  H     12.15697951     13.43433871    -12.67493030
  H     16.69980208      5.89517409    -13.70347867
  O     19.10793349      9.38468721    -11.88537747
  H     13.27834216     12.62307487    -13.36669690
  H     17.69621448     11.82808671    -16.48413302
  O     15.52529958     10.10927005    -11.20560190
  H     19.03708448      9.47482435    -12.84695988
  H     19.06175035     12.55004295    -16.58495744
  O     11.72770056     11.01007794    -15.29641634
  H     18.76029932     10.20708756    -11.52380849
  H     16.83071156      9.92897892    -14.15963555
  O     14.40160173      8.20485182    -15.28524786
  H     15.73143905      9.17965833    -11.02596968
  H     15.79701046     10.01144304    -12.99078115
  O     14.88134629      6.22771979    -13.40866989
  H     16.30004667     10.65392583    -11.02274157
  H     12.95821354     11.66026402    -16.39344310
  O     18.50236782      6.85095583    -11.21203946
  H     11.67968903     10.10658448    -14.95980964
  H     13.21933466     12.62796587    -17.56601159
  O     14.78471899     12.55188525    -14.32607732
  H     11.76861280     11.57313021    -14.51372523
  H     12.76851016      8.40910330    -10.73703453
  O     18.51489613      7.29276053    -16.00900067
  H     13.50087817      8.33149975    -14.96294927
  H     13.90816755      7.41426407    -10.43485941
  O     15.76183725      7.37395649    -11.00103696
  H     14.93681442      8.89685337    -14.86469809
  H     18.69860001     10.48403798    -15.12720983
  O     16.34003506     11.22122923    -17.32554586
  H     14.78164979      6.87514891    -14.12243684
  H     18.64235801      8.91439290    -15.15774793
  O     17.65699996      5.96830605    -13.81246004
  H     13.98702673      5.95181833    -13.17781263
  H     17.88882957     12.81688991    -14.29675435
  O     18.48259794     12.10196370    -15.97502069
  H     19.19220925      6.47948131    -10.66946662
  H     16.49566508     13.10017757    -13.72751487
  O     15.89621261     10.05284864    -13.95056286
  H     18.76757758      7.76547115    -11.42144760
  H     18.07245807     12.42979983    -10.46540251
  O     13.65450332     12.15095679    -16.86392987
  H     15.17798056     11.66994671    -14.22750178
  H     17.68962479     12.26072080    -11.95267018
  O     12.94678166      7.49332414    -10.48491983
  H     14.46453906     12.59545914    -15.23598081
  H     12.54690641     10.94886974    -11.99183621
  O     18.60259902      9.69100321    -14.58442512
  H     19.15380674      6.75405245    -16.46792872
  H     13.75960334     10.14690039    -11.47448725
  O     17.43101944     13.07420320    -13.48713728
  H     18.20981848      6.77327685    -15.24335908
  H     17.02120108      8.00283326    -16.98601230
  O     17.78231519     11.78681179    -11.10705260
  H     16.69171869      7.12770771    -10.92254810
  H     15.52036927      8.26594132    -16.76752163
  O     12.81583116     10.07545910    -11.68341618
  H     15.45746779      7.00673381    -11.84413269
  H     11.88208064      7.65085877    -13.59229869
  O     16.26058919      8.46353118    -17.35807067
  H     16.32982162     10.25631973    -17.41785412
  H     12.29133581      9.06819749    -13.14160304
  O     11.99502707      8.55469312    -13.90806139
  H     15.42126096     11.49622111    -17.24549157
  H     11.54188081      5.30932071    -12.39181206
  O     12.15523272      6.00370614    -12.61583091
  H     18.00915992      6.19829210    -12.94459834
  H     12.36662488      6.47212425    -11.78781933
          69
 Energy    -251.42746795997394     
  O     12.55785323     11.60444547    -16.35220612
  H     12.98693661     12.31985936    -15.87130877
  H     18.25489066      9.11817973    -12.85791360
  O     15.44997571      7.52899650    -13.10233824
  H     12.01253412     11.12747066    -15.70869924
  H     16.56602434     11.32291945    -16.53736880
  O     16.33759115     11.40903750    -11.31895611
  H     15.31339731      8.31191405    -13.65803681
  H     15.68030751     10.37533098    -17.42525831
  O     16.56460099     12.76629559    -15.55291048
  H     16.08226234      7.80257835    -12.42638361
  H     14.21998436      9.19213560    -15.20047318
  O     13.51915606      7.90050703    -16.42379052
  H     17.01130222     11.81638397    -11.87600655
  H     15.51559495     10.01426324    -15.32886385
  O     12.51251655     10.18556575     -8.96388081
  H     15.50476817     11.48378311    -11.80792305
  H     11.28454821     10.24660725    -13.50721327
  O     12.81708871      7.45375383    -12.27194047
  H     17.09791959     12.67960406    -14.75282436
  H     11.10868352      9.17977983    -14.59353033
  O     14.04191469     11.51594299    -12.83676203
  H     15.70896231     13.12271841    -15.28521388
  H     16.29874290      7.30158903     -8.18506291
  O     15.85131132      6.62422733    -15.74385405
  H     14.33780920      7.39121331    -16.30923731
  H     15.12270699      7.66721303     -9.12085379
  O     13.42433273      7.50987690     -9.51221846
  H     13.64615889      8.53659103    -17.13747417
  H     12.16862818      7.44144392    -15.40789244
  O     18.09046546      8.36069904    -16.14795944
  H     12.08834090     10.54391594     -8.18908101
  H     10.87289423      6.64047919    -15.13984127
  O     18.62413791      9.59793660    -13.61013629
  H     13.45444367     10.42743476     -8.90645485
  H     19.03876414     12.68610641    -13.14449161
  O     16.48600780     10.42418676    -16.89618630
  H     12.29319191      7.27144635    -13.06099821
  H     18.40490503     11.30567830    -13.43858456
  O     14.86258722      9.70238710    -14.69163054
  H     13.74779234      7.40378770    -12.53686705
  H     16.88705510      9.64384942    -11.30872207
  O     11.15119842     10.13319577    -14.45594935
  H     13.29296828     11.10707341    -12.38417314
  H     16.93389124      8.35445258    -10.45843034
  O     16.04448122      7.88599024     -8.89400726
  H     14.32719062     10.88642391    -13.51852856
  H     15.57784711      9.75821081     -8.75584962
  O     11.46272918      7.28447054    -14.75649922
  H     15.75711439      6.67982339    -14.78308445
  H     15.63408368     11.03027040     -9.62570396
  O     18.20262270     12.24470941    -13.27073691
  H     16.66167095      7.10916450    -15.94319649
  H     12.03778815     10.18844732    -10.76010372
  O     17.18955542      8.72365442    -11.31294107
  H     13.14831129      7.34145180    -10.42247624
  H     12.27727927      9.16454056    -11.89643892
  O     15.18937219     10.63509261     -8.86429287
  H     12.99460922      8.33437561     -9.25335298
  H     13.93353417     12.88778255    -13.94383371
  O     11.99103204     10.07264501    -11.71703839
  H     18.81817910      8.22846290    -16.75093591
  H     13.57770057     14.33273108    -14.36666623
  O     13.94994494     13.51509515    -14.68720484
  H     17.57400109      9.11034636    -16.49271545
  H     13.65222815     10.32282663    -18.99482152
  O     13.94734294     10.13151106    -18.10903342
  H     18.45829227      9.07347178    -14.40143317
  H     13.42347734     10.69595202    -17.50871336
          69
 Energy    -251.42587340060257     
  O     16.30191847      5.93109329    -11.39300907
  H     16.90574779      5.40613335    -11.93262940
  H     18.99053401      6.06927792    -13.41551561
  O     14.00370034     11.77239806    -12.82641004
  H     16.80658836      6.35476553    -10.68643431
  H     16.04410732      8.80284404    -16.06711987
  O     16.11663896     11.68072049    -14.81428418
  H     14.62304135     11.85325872    -13.56128157
  H     15.55880198     10.26525380    -15.96027759
  O     12.75188300      4.78045535    -16.90939237
  H     14.52936966     11.86149505    -12.02044414
  H     14.84931461      8.53807640    -12.77172989
  O     15.29871569      9.26574310     -9.45990468
  H     16.63329553     11.30835339    -14.07991345
  H     15.89915759      7.47108615    -12.31624649
  O     13.66358584      5.65257986    -14.40248205
  H     16.61051822     12.42883513    -15.14222942
  H     12.85264364      8.46763898    -11.16529679
  O     13.05158952      8.26353919    -15.30671114
  H     13.60338063      4.68542603    -17.35279299
  H     12.01847612      8.20308608     -9.88974880
  O     14.57816702      7.60054543    -18.41398048
  H     12.95991610      4.91372150    -15.97340697
  H     18.12122219      7.37250186     -8.74443952
  O     17.86073418      4.48066009    -13.24811932
  H     14.50125970      8.76264755     -9.66422681
  H     18.17713201      7.97762059    -10.16910062
  O     17.04649215      7.62821265    -15.18695357
  H     16.03506380      8.64317298     -9.44068354
  H     14.50850231      5.57353287    -11.48178717
  O     16.15148190      4.97093327    -15.34851863
  H     13.48289759      6.56749103    -14.65368787
  H     13.21657503      6.32228016    -11.13285578
  O     19.29746948      6.96961363    -13.57106257
  H     13.53500288      5.57868618    -13.44602375
  H     16.78269170      9.73398818    -12.61957558
  O     15.36548119      9.42067560    -16.38219521
  H     12.50549492      8.00752426    -16.05970798
  H     16.85681419     11.06139218    -11.83057554
  O     15.77297036      8.27046356    -12.84334998
  H     13.83936052      8.69583141    -15.66623787
  H     18.66383574      9.47758607    -11.80918496
  O     12.86058215      8.02096789    -10.29968240
  H     14.89762085      8.32595905    -17.86250328
  H     19.27503544      8.10120708    -12.15300774
  O     17.59514071      7.53732114     -9.52203295
  H     13.62122504      7.57506451    -18.28895712
  H     15.53358034     10.84974766    -10.10705150
  O     13.55806009      5.59428447    -11.66393405
  H     17.28283240      4.57187427    -14.02479664
  H     15.82407410     12.34247343     -9.82231847
  O     17.26557784     10.57427884    -12.55840627
  H     18.15852074      3.57448015    -13.23433549
  H     15.17571445      5.96295851    -18.20730483
  O     19.09597970      8.70896171    -11.41973526
  H     16.60129208      7.87130750    -14.35896844
  H     15.75249953      4.68640964    -18.86095002
  O     15.70308017     11.71272626    -10.52740495
  H     16.79775165      6.71127595    -15.35953605
  H     10.98832247      7.22574678    -18.05471304
  O     15.40230298      5.02991202    -18.04337722
  H     16.00322135      4.87615765    -16.29761278
  H     12.06076014      6.31216165    -17.41065439
  O     11.83970659      7.23621011    -17.62687736
  H     15.28818194      5.16859007    -14.95192213
  H     13.31790290     10.14378861    -12.76602701
  O     13.10045211      9.20007763    -12.72643089
  H     18.69791320      7.31738556    -14.24359666
  H     12.91317601      8.89938771    -13.62561353
          69
 Energy    -251.42580079300080     
  O     16.97678903     15.10107484    -16.18067412
  H     16.63772950     15.68181125    -16.85603513
  H     18.97565270     10.20701021    -10.30080988
  O     21.16281515      9.84351543    -15.44364593
  H     17.76046264     14.65395355    -16.55586341
  H     21.15490367     16.76982722    -12.49213192
  O     19.33971423     13.33675259     -9.94043198
  H     21.24727741     10.64009386    -14.89151831
  H     19.62783396     16.66985937    -12.64648113
  O     15.21488655     12.73568902    -12.63141045
  H     22.01239425      9.70184301    -15.85436815
  H     20.74717848     12.45132443    -10.69424386
  O     20.60673368      9.33187352    -10.76066551
  H     18.72405230     13.59687555    -10.64386949
  H     21.33203580     11.03860939    -10.92916197
  O     15.87085916     10.20668703    -11.42287443
  H     19.77480321     14.14920309     -9.65605116
  H     16.87408641      9.37116958    -14.47909858
  O     19.03024534     11.01645802    -16.99514909
  H     15.93059577     13.28919630    -12.29008319
  H     16.66994812      9.44182355    -12.92258314
  O     20.98813027     14.55920470    -14.92652386
  H     15.33251069     11.87628294    -12.20813248
  H     19.16107538     12.83877315    -17.04056677
  O     20.71958297     15.76996466     -9.59883625
  H     20.40203071      9.00221594    -11.65412881
  H     19.91496078     14.05565515    -16.42225367
  O     21.03561188     12.03777350    -13.82054213
  H     20.94768090      8.59143145    -10.26615807
  H     23.57788497     16.45426262    -13.39854851
  O     16.38176459     10.08347030    -16.14015250
  H     16.68453736     10.41326722    -10.92733431
  H     22.84673651     15.42163572    -12.50771082
  O     18.19241103     10.74476438    -10.13335686
  H     15.27673996      9.78578257    -10.80668505
  H     19.43759738     15.31314314    -14.29037569
  O     20.32298207     16.92748471    -12.02802718
  H     18.19377290     10.60053864    -16.76130394
  H     17.97936112     15.66779880    -14.65765097
  O     21.49289857     11.97645475    -11.09103954
  H     19.71572873     10.52914855    -16.52318994
  H     22.54494775     13.53689289    -11.05942811
  O     17.28598591      9.19042260    -13.62376273
  H     21.07911355     13.66877837    -14.55659881
  H     22.22045165     14.90581987    -10.43708797
  O     19.17163053     13.80500226    -16.98403050
  H     21.65692815     15.10164438    -14.49117653
  H     20.37986903      8.83243211    -14.03086717
  O     22.74255495     16.01144955    -13.27620811
  H     20.50502368     16.22490401    -10.43330904
  H     18.99514204      8.58797116    -13.38772728
  O     18.62902153     15.72293105    -13.94754577
  H     20.73815638     16.43829458     -8.91920901
  H     18.09051252     10.87838439    -13.59724188
  O     22.82304713     14.46171776    -11.04722988
  H     20.06680502     11.96635091    -13.83231655
  H     17.69796912     12.14712438    -14.38587477
  O     19.94648739      8.49476446    -13.23849387
  H     21.29957729     12.02843367    -12.89165283
  H     15.64668688     12.70377560    -14.36173926
  O     18.33642890     11.79849266    -13.75057949
  H     16.17162630     11.00234135    -15.89573890
  H     16.26234063     13.50530589    -15.56523310
  O     16.07007370     12.62150616    -15.23084283
  H     15.74409826      9.82039198    -16.79881320
  H     17.94829584     13.08753185    -12.54631578
  O     17.72014371     13.89629302    -12.06264063
  H     18.51809859     11.62307241     -9.90055094
  H     17.98599668     14.62647538    -12.63684792
          69
 Energy    -251.42541762174113     
  O     17.71197932     11.10051378    -16.48567741
  H     16.97729886     11.35494627    -15.90704514
  H     17.42649383      7.88906723    -17.91756479
  O     14.57306176      6.69414012    -13.79670698
  H     17.33332142     10.59841696    -17.21373937
  H     15.78486470      8.62850087    -15.64180712
  O     18.38918398      6.92874663    -11.82229431
  H     15.30104436      7.12003967    -14.27538300
  H     17.05391011      7.76803583    -15.81775552
  O     13.86674856      6.33657903    -16.48194815
  H     14.99000247      6.12412404    -13.13856991
  H     15.79727463     11.51521919    -13.79176431
  O     16.08989099      9.99344469     -9.38654167
  H     18.98713908      6.42162075    -12.38527527
  H     14.70480113     11.42278998    -14.85760322
  O     13.65946287      9.00747625    -12.63288876
  H     18.28888155      7.79003651    -12.25231341
  H     14.93383592      5.29072519     -8.69216696
  O     18.04185746      9.28056159    -13.23163321
  H     13.89519579      6.32126078    -15.51487726
  H     15.88204105      6.34806849     -9.30901561
  O     16.30276495      4.90301480    -17.02825696
  H     14.62452078      5.80891380    -16.76245737
  H     12.13644186     10.87240466    -14.77450195
  O     13.78031670      8.36349835     -9.97159986
  H     16.18074796     10.76974064     -8.83987046
  H     13.14557441      9.97577447    -14.02226895
  O     20.04714185      7.50097514    -15.69533720
  H     16.07390126     10.30176581    -10.30806785
  H     19.96633221      6.27905992    -14.48243188
  O     17.29760236      4.53223923    -14.53236499
  H     13.91325847      8.16921370    -13.04595084
  H     20.67137514      5.08812255    -13.79043496
  O     17.86693782      7.20133985    -17.40163690
  H     13.54493684      8.82202966    -11.68964939
  H     15.68907565      5.29262050    -11.16740670
  O     16.47455467      8.16117805    -15.15364569
  H     18.76953996      9.69588226    -13.70850288
  H     16.89869887      5.85312356    -11.94572841
  O     15.62449379     11.67871077    -14.72627142
  H     17.46471794      8.89598994    -13.91173458
  H     17.79542469      7.25729699    -10.07130831
  O     15.07287395      5.82732397     -9.46802765
  H     16.30511002      4.06007913    -17.47461603
  H     16.98659878      8.31449457     -9.27405926
  O     13.00097074     10.47582466    -14.84406291
  H     16.63336574      4.74000248    -16.12581572
  H     15.62985269      9.30978944    -17.98610628
  O     19.85495300      5.57999517    -13.81270812
  H     14.07925362      7.45955594     -9.81478572
  H     16.21155797      9.71760902    -19.36058842
  O     16.13129507      5.26687030    -12.02446680
  H     14.48178861      8.93084164     -9.62879680
  H     15.17624606     10.03414863    -12.29075171
  O     17.27532328      7.39321609     -9.26783669
  H     20.07505231      8.44804287    -15.51536852
  H     16.72853090     10.15383747    -12.42243275
  O     16.45475666      9.39951531    -18.49494985
  H     19.39715961      7.37635316    -16.40054025
  H     20.54284640     10.96115703    -15.13152890
  O     15.93830084     10.58575067    -12.06255965
  H     18.19752391      4.82092591    -14.33626109
  H     19.12218812     10.60668030    -15.63281260
  O     19.87034027     10.28702371    -15.09473583
  H     16.81440118      4.60096539    -13.70033837
  H     13.78333638      9.51851877    -16.23430302
  O     14.34871354      9.00711436    -16.82444238
  H     17.32890798      6.39868218    -17.43540778
  H     14.07338878      8.07698982    -16.78297356
          69
 Energy    -251.42262254641938     
  O     -2.71825011      2.36102034      2.83392582
  H     -2.77033258      1.39372315      2.84759456
  H     -1.39405028     -4.15458960      2.72506303
  O     -2.35952125      2.83704643      5.61807334
  H     -2.76185354      2.63962059      3.75577711
  H      0.14526594     -1.56628708      2.02645071
  O      2.19288666     -2.41227988      0.16908625
  H     -2.70131549      3.43449415      6.27744953
  H      0.27882738     -0.03997298      1.86398947
  O      0.61777576      1.36800372     -1.41083851
  H     -1.43995001      3.10717422      5.44115975
  H     -3.63612359     -1.41126241      1.86715542
  O     -1.13050992     -0.75732715     -0.93026628
  H      2.01590979     -2.65712627      1.08759056
  H     -3.96956248     -1.26487671      0.37404307
  O     -2.66132811     -0.39445256      3.08216207
  H      1.46754687     -2.79003513     -0.34268370
  H     -0.57049241      0.31141950      5.29910112
  O     -3.78806274      0.09731874     -0.97631191
  H      1.44775145      1.02565334     -1.05990483
  H     -1.89716021      0.96301941      5.73967520
  O     -0.62518033      3.64811996     -0.67982357
  H     -0.00672462      0.63078972     -1.36884332
  H      1.65931266     -2.53034732      3.60002393
  O      2.86726538      0.20888185     -0.10329812
  H     -0.90457390     -0.76323597      0.01345041
  H      0.56825437     -3.47359494      3.04259282
  O     -0.57354416     -2.55901406      5.84429920
  H     -2.05853360     -0.50340429     -1.00768061
  H     -0.55057971     -2.40123300     -1.20330627
  O     -1.91716883     -3.86504507      1.12978956
  H     -1.86065613     -0.58021825      2.56693744
  H     -0.31901409     -3.70161655     -2.00819693
  O     -0.99435479     -4.29906233      3.60245597
  H     -2.37087261     -0.32474275      4.00033726
  H      0.21380755      3.51944490      3.95300554
  O     -0.32316743     -0.78100335      1.71756626
  H     -3.61412630      0.98151653     -0.60674265
  H      0.67678887      2.51685916      5.03043421
  O     -3.87980208     -1.91601755      1.07859221
  H     -4.46526090      0.20640788     -1.63836530
  H      1.05324848      1.97406964      2.03879269
  O     -1.48466690      0.11207218      5.55176639
  H     -0.15498020      2.85131342     -0.98618517
  H      2.09998591      0.96797405      1.41611142
  O      1.26980232     -2.86160046      2.78182998
  H     -0.46563525      4.32988353     -1.32652359
  H      1.11417530     -2.22128204      5.63775016
  O     -0.19148530     -3.30397199     -1.15042214
  H      3.78257333      0.24844397     -0.36764840
  H      2.61220050     -2.34504846      6.01641212
  O      0.20980190      3.35386878      4.90435090
  H      2.64021238     -0.73546032     -0.02855139
  H      1.40677142      0.82748519      3.94140896
  O      1.57472369      1.17360651      2.19853063
  H     -0.88982924     -3.09263122      5.10433291
  H      1.60145982     -0.14996610      5.12503577
  O      2.01786473     -1.96234857      5.37693286
  H     -1.05998050     -1.72464025      5.83190088
  H     -3.13928730      2.56294089      1.02263797
  O      1.19092798      0.68627452      4.87556019
  H     -1.35671011     -3.76125459      0.35497967
  H     -2.35377525      2.94815396     -0.25036879
  O     -3.15734029      2.51281180      0.05789254
  H     -2.64517594     -3.23051324      1.04739030
  H     -1.05021669      2.94717044      2.32810462
  O     -0.18340615      3.28751602      2.06158239
  H     -1.14634523     -5.21540878      3.81876665
  H     -0.27498129      3.56293932      1.14111786
          69
 Energy    -251.41533873293707     
  O     10.74869513     10.33164851    -15.09271511
  H     10.82608934      9.69478375    -15.81367239
  H     19.03559366      7.49575212    -13.26410530
  O     14.84393174      6.75335438    -15.11243207
  H     11.62001046     10.74031372    -15.00324504
  H     16.39564548     12.11986258    -14.36133649
  O     15.93855787     10.98133264    -10.45817596
  H     15.74175233      6.49488442    -15.36810184
  H     16.14015473     13.27392248    -15.35708019
  O     18.46047914      9.15366117    -13.74408614
  H     14.53159286      7.44996127    -15.70652287
  H     15.48217854      7.88226532    -13.87313925
  O     13.84283843      8.92965871    -16.50473857
  H     16.05537278     10.07843651    -10.11005233
  H     15.20835417      9.06404925    -12.88409595
  O     13.63558603      7.16631977     -9.45846725
  H     15.96036236     11.56756559     -9.70649192
  H     10.11923292      9.47114631    -13.70932862
  O     13.03561678      6.03055479    -13.16857511
  H     17.52646880      8.94279697    -13.57496791
  H      8.94163959      9.16595994    -12.75230926
  O     13.93351437     10.21033912    -12.25021353
  H     18.58250183      9.11733717    -14.70234101
  H     11.46175587      6.32040264    -14.15115455
  O     18.56226737      8.77085076    -16.52950875
  H     13.69631693      9.65245305    -15.87643671
  H     10.29708079      7.32541612    -14.03992766
  O     14.59149840      4.94203634    -11.06811808
  H     12.96797595      8.63467934    -16.78690407
  H     17.85440415     10.86221204    -13.13794381
  O     17.52147809      6.29862586    -15.55271348
  H     13.01055840      7.57527141    -10.07154308
  H     16.87758797     11.42296729    -12.07853512
  O     19.14888192      6.54229479    -13.11185162
  H     13.87325380      6.32454848     -9.86484238
  H     16.41388944      7.17274606    -12.03179730
  O     15.92126396     12.36360010    -15.17573325
  H     13.50413255      5.53389786    -12.48724961
  H     17.68846391      6.31924455    -11.92092636
  O     15.87111565      8.42869362    -13.17739105
  H     13.66947326      6.20458471    -13.88066010
  H     16.55791825      7.77191239    -10.07480517
  O      9.81801269      8.88067878    -12.99544494
  H     14.48576054     10.54161257    -11.53189599
  H     15.21551800      8.07216741     -9.39866849
  O     10.72010843      6.69963555    -14.64066682
  H     13.30909911      9.55541605    -11.90641852
  H     15.47434761      9.71381861    -16.96215993
  O     17.27641020     11.60907740    -12.93694006
  H     17.75786322      9.27850479    -16.74380024
  H     16.21328229     10.95567729    -16.40863485
  O     16.83222381      6.47148901    -11.50643696
  H     19.18075580      8.92493444    -17.23792665
  H     12.47598471      7.46706310    -12.18287741
  O     16.09424720      8.44533040     -9.56596942
  H     14.80466655      4.05834464    -10.77914133
  H     11.30512887      8.46427467    -11.97887465
  O     16.32329119     10.17459378    -16.96486390
  H     15.43597833      5.40465608    -11.20349043
  H     14.19899665     11.64884279    -14.97956638
  O     12.16797961      8.20347725    -11.63404106
  H     18.05272163      6.18051861    -14.75781103
  H     13.55705852     10.81183482    -13.85429382
  O     13.44269982     11.08581470    -14.77750062
  H     17.89156301      7.07466992    -15.99357461
  H     10.67409537      7.79054034    -17.62152883
  O     11.19319048      8.13121869    -16.89834545
  H     20.08512604      6.39095149    -13.00990889
  H     11.03045559      7.54727636    -16.13552356
          69
 Energy    -251.41408573342369     
  O     12.63272898      9.56250139    -11.33283466
  H     13.43117221      9.11287301    -11.03440606
  H     14.84418762     15.25259592     -9.27896935
  O     11.46296146      5.66995059    -11.66110923
  H     12.17347613      8.97099797    -11.94639055
  H     11.44944168     12.65872170    -11.43420349
  O     12.11540992     11.80754962    -12.84245656
  H     11.44399048      6.05399880    -10.76551810
  H     10.25959298     12.53134268    -10.46220479
  O     14.90798727      8.12069701    -10.46571200
  H     10.98299161      4.84766215    -11.61808180
  H     13.56243196      8.57007777     -7.76127750
  O     14.14984599     15.64170488    -12.86782691
  H     12.91531950     12.23506930    -13.16950329
  H     14.22886207      7.35053182     -7.07774745
  O     11.46856909      6.84777870     -9.23335488
  H     12.40196286     11.03811547    -12.32526598
  H     11.96498692      9.96798500     -8.08637413
  O     14.59020382     12.90706193    -13.41682887
  H     14.70964729      7.37898915    -11.05873883
  H     13.13279241     10.96535045     -8.04937198
  O     15.92721490     15.10326349    -10.65397227
  H     14.63571009      7.88983471     -9.56937495
  H     14.79864670     12.25518365    -10.23149583
  O     10.67648269      9.52860205     -9.35834771
  H     13.44534777     15.61200237    -12.19573821
  H     15.97342155     11.49402293    -10.94571208
  O     12.33164912     15.50487570    -10.84019929
  H     14.01002438     16.43739876    -13.37407318
  H     11.21610078      7.15469581    -12.75212951
  O     15.21575573     10.16003543    -13.89700226
  H     12.28554351      6.97595223     -8.73803230
  H     12.02270410      7.98806337    -13.79390961
  O     14.13143480     15.22544303     -8.61538654
  H     11.02534054      7.70752294     -9.22568801
  H     10.06454115      9.49431379    -13.17449528
  O     11.09543868     12.99054819    -10.59407250
  H     14.93006608     12.69934076    -12.53218945
  H     10.46047440     10.97672508    -13.18242495
  O     13.89361078      7.66504322     -7.91257150
  H     14.46247530     13.86337587    -13.42317007
  H      7.89211831     11.39708652    -10.61809815
  O     12.82848894     10.12680693     -7.68008532
  H     15.47548828     15.39605544    -11.45480635
  H      9.05841529     10.91350915    -11.51287555
  O     15.52384312     12.34332362    -10.86513295
  H     15.97144289     14.13832769    -10.72125053
  H     14.22653040      8.79151527    -14.33851829
  O     11.25379306      8.00629405    -13.20706635
  H     11.37001270      9.60876693    -10.03251043
  H     13.90972723      7.80006172    -15.47788107
  O      9.70795373     10.38305985    -13.05032079
  H      9.93932667     10.06707724     -9.66542742
  H     17.58939640      9.54678001    -11.35177829
  O      8.83241054     11.24179311    -10.62336837
  H     11.76690871     14.72421682    -10.76658684
  H     16.10830976      9.20913012    -11.04712292
  O     13.71420617      7.99522027    -14.56494019
  H     12.84035341     15.53352749    -10.02068815
  H     13.28737216      5.93727030    -12.11184532
  O     16.69834638      9.87268270    -11.44615921
  H     15.79477988     10.04583761    -13.13392609
  H     14.08939480      6.77013246    -13.13529509
  O     14.17136741      6.26966542    -12.31358588
  H     15.01828700     11.10350445    -13.93861096
  H     13.64385202     13.40922371     -8.74317667
  O     13.39904599     12.52513742     -9.04546859
  H     14.40125762     15.78889862     -7.89568441
  H     12.56974350     12.62583915     -9.53397391
          69
 Energy    -251.40945494377408     
  O     16.40850454     12.64553624     -9.90504114
  H     16.70177188     11.73098424    -10.01580566
  H     13.02071503     11.91281192    -13.41179448
  O     14.86934587     12.41098467    -16.77024895
  H     15.51397917     12.61814130     -9.54205529
  H     14.06128560     13.84166157    -16.23294159
  O     17.02494533     10.05039293    -10.80433934
  H     15.82439443     12.43570762    -16.90543170
  H     13.21113819     15.08222506    -16.59648218
  O     15.56989791     16.29646042    -11.61573263
  H     14.67732348     11.53834224    -16.40466215
  H     12.55977333     13.94818297    -12.82064259
  O     14.74883728      9.94177789    -15.40676027
  H     17.50557214     10.47561855    -11.52946300
  H     12.67201150     13.96452814    -14.37217957
  O     17.23999240      7.33945291    -11.49775885
  H     17.16156136      9.10131774    -10.91515178
  H     20.50897845     14.13096656    -12.42800744
  O     17.21160456      7.52707101    -14.20431036
  H     15.62582062     16.01114077    -12.54411207
  H     19.02892369     14.24994329    -11.99694892
  O     15.79665168     12.77840148    -12.70155797
  H     15.40692214     17.23662549    -11.62719075
  H     13.09791015     12.24611380     -8.60749857
  O     14.18248431     10.08589654    -10.79818649
  H     15.71114871     10.00309403    -15.31995685
  H     13.74055915     11.52167473     -9.81187305
  O     17.54665832     10.13146404    -15.23617982
  H     14.51862122      9.02029132    -15.23416678
  H     18.22813284     12.54980620    -17.72418612
  O     18.23045603     14.31908124    -15.12506100
  H     17.79717397      6.61717549    -11.22081840
  H     17.94318270     13.07466695    -16.29709272
  O     13.60091138     11.16417545    -13.20236051
  H     17.31306723      7.39574281    -12.46794405
  H     14.29074925      7.33637929    -13.60548189
  O     13.66573171     14.65735950    -15.87442703
  H     17.44798314      8.35366097    -14.64500373
  H     13.82084392      6.56582358    -14.86163379
  O     12.29504725     13.48212467    -13.62834861
  H     16.29686334      7.34496788    -14.45293410
  H     17.46578357     14.08429994    -10.35212735
  O     19.62503618     13.86310006    -12.66366716
  H     15.00785800     12.24594379    -12.86931153
  H     17.16001138     15.42630203    -11.03526782
  O     13.68040029     12.37607951     -9.35169955
  H     15.91152366     12.85135133    -11.74592757
  H     17.32267433     11.93724137    -12.96028848
  O     17.72539755     12.37041727    -16.93411436
  H     15.14964465     10.06500049    -10.80885781
  H     18.83984517     12.15869706    -12.81647703
  O     14.37149278      7.28927272    -14.57478840
  H     13.89505452     10.42302399    -11.66368155
  H     13.37341462     13.89187434    -10.56157177
  O     17.88027090     14.82080156    -10.82293673
  H     17.85131085     10.53585147    -14.41066503
  H     14.02146699     15.13219701    -11.22577101
  O     18.17282874     11.46919130    -12.91167828
  H     17.68253062     10.79835596    -15.92059966
  H     14.14439806      8.26286674    -11.41587820
  O     13.23933143     14.56949328    -11.23371849
  H     17.41045251     14.73472888    -14.82698092
  H     15.32129763      7.29440714    -11.62210103
  O     14.39586825      7.44140118    -11.85507073
  H     18.77526598     14.20736691    -14.33739365
  H     15.75470720     14.28723425    -13.62577293
  O     15.74651304     15.14206376    -14.08783097
  H     13.90693156     10.75146568    -14.01955231
  H     15.02698529     15.10252234    -14.73028731
          69
 Energy    -251.40632153721856     
  O     13.16164491     11.06026912    -15.68928655
  H     13.82737209     11.70254030    -15.42296680
  H     16.17547616      5.75881233    -14.78917377
  O     15.74895912      6.32976470    -13.07124740
  H     13.63491991     10.38437434    -16.19781029
  H     15.68049808      7.94465458    -13.93911134
  O     17.23616486     10.28882374    -10.94640223
  H     14.89266456      6.41058309    -12.62978251
  H     15.41650802      8.88889166    -15.15684068
  O     17.83210679     11.79455080    -15.55166704
  H     16.42107831      6.65855498    -12.45913735
  H     10.52831410     10.03745846    -14.32438152
  O     13.75932425      6.39908384    -16.74977178
  H     16.48128706     10.57210688    -11.48364626
  H     12.01779476     10.25219250    -14.68507346
  O     13.52648868      9.16344736     -9.03783882
  H     16.92107023     10.22948739    -10.03623187
  H     17.02198195      7.05339261     -9.90496044
  O     13.30880432      6.84369111    -11.87837486
  H     18.20321187     11.51566356    -14.69544740
  H     16.46866724      7.92894347     -8.76579622
  O     15.17240628     10.89852367    -12.66999722
  H     18.51562495     12.29587951    -15.99090263
  H     11.98032407      7.95130979    -14.46196313
  O     18.52325947      7.02491737    -16.61347278
  H     13.20025376      5.88318385    -17.32438343
  H     12.60417412      6.81279200    -13.63631906
  O     13.86587017      6.30752144     -9.19029042
  H     13.23480387      6.59677853    -15.95224931
  H     18.99170090      9.97884668    -13.51778968
  O     18.58895662      8.29783456    -14.13296926
  H     13.49428168      8.19958255     -9.00108022
  H     18.44222649     10.82741178    -12.35871946
  O     16.32532254      5.70641833    -15.74301414
  H     13.19813949      9.40804486     -9.91333812
  H     17.56381924      8.51486247    -11.31684597
  O     15.83405077      8.83239303    -14.28893752
  H     13.19794343      7.80426474    -11.82683532
  H     18.25653544      7.65397380    -12.38161849
  O     11.41051322      9.73722525    -14.12312958
  H     13.40586353      6.53307620    -10.96968732
  H     16.13780734     10.22129126     -7.57446956
  O     16.48291381      7.02475370     -9.10419921
  H     15.16205968     11.66900566    -13.24729965
  H     15.15230073      9.64516822     -8.61929932
  O     12.35641772      7.06559036    -14.53422000
  H     15.40537115     10.14553494    -13.23960911
  H     17.54276368     10.19906859    -16.72453352
  O     18.87270268     10.89267226    -13.21943926
  H     19.06208432      6.43949264    -17.13799080
  H     17.80501675      8.72256623    -17.13188007
  O     17.75129043      7.59605813    -11.56061226
  H     17.74069366      6.51360712    -16.33615250
  H     13.68641889     10.12346105    -12.01057026
  O     16.09557503      9.79110580     -8.42418272
  H     13.69056394      5.60383856     -8.57175439
  H     12.27591879      9.69741651    -12.47371599
  O     17.30275570      9.51525173    -17.35991501
  H     14.82430762      6.47980928     -9.15672999
  H     15.35516648     13.70374741    -14.85679318
  O     12.90632760      9.61415873    -11.74746373
  H     18.78315359      7.81154912    -14.94174214
  H     16.18138273     12.42553092    -15.11640938
  O     15.32556307     12.75194113    -14.79501752
  H     17.65881940      8.56352029    -14.21022170
  H     15.55823430      9.18597252    -17.19183357
  O     14.66375794      9.06087421    -16.83969920
  H     15.46382432      5.85483921    -16.15120216
  H     14.39130507      8.14617635    -16.97823338
          69
 Energy    -251.40335349749779     
  O     -9.82229063      1.25348679      3.19275373
  H     -8.95617602      1.45286947      3.58423542
  H    -10.19312311      2.97165679      2.65549268
  O     -5.93215874      0.43266433      6.13617516
  H     -9.65221755      0.83259691      2.34201193
  H    -11.77389672      1.70181881      5.68203457
  O     -7.17461037     -1.69801283      4.77749900
  H     -6.20055678     -0.39274213      5.71007126
  H    -10.63413019      1.19304103      4.75741002
  O     -7.69417245      4.33249079      5.82904716
  H     -6.44488740      0.51276506      6.95110580
  H    -11.22449578      5.97314356      6.03027074
  O    -13.16105357      2.93955367      5.62212222
  H     -7.07034303     -2.64205629      4.87058259
  H    -11.45809916      7.45710811      5.66045673
  O     -7.47633254      1.97919035      4.37198314
  H     -7.97326459     -1.45655910      5.27964471
  H    -11.81648507      4.41402219      3.03171989
  O     -7.74375355      0.70407942      8.29431743
  H     -8.15582346      4.87397823      5.17212842
  H    -12.14258354      5.45413868      4.12059901
  O     -9.31957574      2.74720450      7.38445272
  H     -6.75616485      4.55881714      5.78603253
  H     -9.23431096     -0.38347606      0.09018364
  O    -11.45952574      4.65034473      7.16432539
  H    -12.98059173      3.52497416      4.86426730
  H     -8.14336946     -0.14167249      1.16062816
  O     -6.30758057      5.52694619      2.82758680
  H    -14.10362762      2.79881892      5.64317399
  H     -6.19129567      0.05445311      2.16359311
  O     -5.48512762      1.75673266      2.44043271
  H     -6.98719753      1.41750927      4.98707740
  H     -6.91756492     -1.04035606      2.98841591
  O    -10.23204439      3.84444710      2.24223830
  H     -7.57036910      2.83738275      4.80329856
  H     -9.37996755      5.08123083      3.23271436
  O    -10.93816275      1.22021952      5.67775659
  H     -8.29327036      1.47398261      8.06741882
  H     -9.66166898      6.17718167      4.29515201
  O    -11.15073678      6.62519119      5.31068477
  H     -7.69575846      0.67155157      9.24615821
  H     -5.41758642      4.35210984      0.03862496
  O    -12.50032964      4.68638026      3.65881311
  H     -9.85106640      2.23797523      6.75356716
  H     -6.07277755      4.53028957      1.42886541
  O     -8.92263292      0.25204624      0.72884378
  H     -8.73741325      3.33664307      6.88118279
  H     -8.76084978     -0.48330720      7.14665051
  O     -6.79200012     -0.70070702      2.09481615
  H    -12.12159287      4.06678652      6.77176238
  H     -9.91822363     -0.28422533      6.15486383
  O     -8.95413532      5.72367793      3.82030827
  H    -10.73045178      4.07742025      7.42902049
  H     -4.60810924      1.60227149      5.41675311
  O     -5.94715513      3.90410262      0.69290469
  H     -7.20715879      5.73350034      3.11256176
  H     -4.39940016      2.05782266      3.96187937
  O     -9.20751318     -0.89250123      6.39586023
  H     -5.80267203      5.34162235      3.62790302
  H     -8.67061852      2.11949836      0.25447859
  O     -4.15944346      2.26487278      4.87564817
  H     -5.54961832      2.43347324      1.75564320
  H     -7.71310998      3.33365503      0.27008200
  O     -8.63604455      3.07847733      0.15129544
  H     -6.22234272      1.91753271      3.04995328
  H     -4.64783986      3.91177229      5.16354643
  O     -4.99648827      4.81121016      5.29602137
  H     -9.74900781      3.74288503      1.40967613
  H     -4.29779428      5.32018980      5.69812975
          69
 Energy    -251.40265175494105     
  O      1.33481741      0.16710456      4.61387892
  H      1.82695401      0.37594278      5.40354338
  H     -2.07346139      3.14783611      0.95815007
  O      1.81490358     -0.32155667     -2.89665763
  H      0.55712238     -0.34602731      4.89934078
  H      0.63194399      1.44821088      3.41333481
  O     -0.87149539     -1.20967395      5.36811064
  H      1.04084637      0.06631725     -2.46836230
  H      0.85994100      1.77926580      1.91748613
  O     -0.28314377      0.49591642     -1.12725729
  H      2.58362492      0.06292595     -2.45628950
  H     -2.22929116      2.97605051     -1.64877426
  O      1.71476406     -2.89815526     -1.99854263
  H     -1.07908625     -2.08808033      5.02672493
  H     -1.47603842      1.78870501     -1.00646393
  O      3.60615158     -1.94850812     -0.04469778
  H     -1.68820039     -0.69728546      5.29732029
  H     -2.24943491     -0.02770652      3.10680911
  O     -3.89004881      2.77827718      3.74864825
  H     -0.55195790     -0.42458478     -0.99710130
  H     -1.10135890      0.69834221      2.35343475
  O     -3.78537144     -3.03355273      2.72308218
  H      0.43359659      0.67679591     -0.50256867
  H     -0.58644271     -2.39271388      0.20750550
  O      3.95344727      0.49528462     -1.17675400
  H      1.88868887     -3.54133279     -2.68113529
  H      0.03629965     -2.59601296     -1.19659369
  O     -5.62868635      1.04308512      2.26500123
  H      1.76433471     -2.02108678     -2.41915397
  H      2.02500236     -0.79862971      3.11653045
  O     -5.55636573     -1.11955774      3.88073255
  H      3.18862042     -1.84479346      0.82039176
  H      1.28378980     -1.72890812      2.13875241
  O     -2.00619623      3.38020301      1.89172317
  H      2.97147083     -2.40752418     -0.60919999
  H     -3.41341992      1.12349788      4.48219516
  O      0.26114069      1.92987269      2.66294744
  H     -4.12113422      3.58558740      4.20042064
  H     -4.00428794     -0.31000630      4.53441313
  O     -2.15450617      2.46722587     -0.84552068
  H     -3.23454098      3.01862595      3.06995992
  H      2.60216909      1.01934544      0.01336518
  O     -1.75036562     -0.01236942      2.27928565
  H     -4.46040546     -2.43910767      3.06749732
  H      1.95476019      0.19671466      1.15461768
  O     -0.73379178     -2.23962090     -0.73823137
  H     -3.71646846     -2.86743736      1.77155444
  H     -1.66110447     -4.57173005      4.42689419
  O      2.10871487     -1.23397383      2.25986943
  H      4.86787919      0.73190303     -1.30287905
  H     -2.42441484     -3.48221443      3.63286970
  O     -3.19677355      0.20169544      4.67660939
  H      3.94224206     -0.39594438     -0.78076715
  H     -0.67751786     -2.97128242      2.66043038
  O      1.84328390      0.98932669      0.60771877
  H     -5.07846515      0.83748030      1.49562865
  H     -0.88657205     -1.55470847      2.07624322
  O     -1.59168755     -3.67802814      4.10430172
  H     -5.15466319      1.73329833      2.74463541
  H     -2.63143492     -2.43973835     -0.37646593
  O     -0.36136445     -2.36561538      1.98037295
  H     -6.41134710     -1.32027344      4.25121236
  H     -3.71878239     -1.42539651     -0.00100513
  O     -3.50148349     -2.36640841      0.03306376
  H     -5.68345747     -0.37472103      3.26557048
  H     -3.02234300      0.24155302      1.01339077
  O     -3.70363179      0.42812572      0.34813834
  H     -1.15432125      3.03834768      2.19596186
  H     -3.35161236      1.14932431     -0.18451226
          69
 Energy    -251.40100663701583     
  O      0.44535551      3.63738356      6.03383983
  H      0.26987990      4.11401051      5.20475477
  H     -2.31180417      1.87519906      3.21369571
  O     -0.62286006      2.88838867      0.30141936
  H      0.40460731      4.28373891      6.73418996
  H     -0.90965129      4.91465357     -3.95338394
  O      1.85265732      1.44194644     -1.77695893
  H     -0.96379982      2.59633875     -0.55260921
  H     -1.11825347      3.86317012     -2.83806477
  O      0.07035163     -0.27501086      2.54814465
  H      0.19721933      2.40901362      0.46688347
  H     -1.36544770      1.43831238     -2.39181153
  O     -0.01502241      4.76007063      3.57810945
  H      1.13621346      0.86208173     -2.05583314
  H     -2.58193577      2.23094289     -1.78444252
  O      1.83950424      4.20869974     -1.83313358
  H      1.92194952      1.32459323     -0.81823197
  H     -2.17016198     -0.59959281      0.44430171
  O     -3.82561080      4.85014714      0.61652270
  H     -0.73519019      0.16079242      2.85837573
  H     -0.72836277     -0.82653887      0.92539631
  O      2.60416273      2.12737962      4.93375403
  H      0.60616378     -0.44320994      3.33361466
  H     -1.62670676      3.15988894      1.69745570
  O     -0.82735232      1.06150106      5.81116489
  H     -0.81842737      4.32456824      3.26306688
  H     -2.89688413      3.97191966      2.02372885
  O      2.82773420      5.34834557      0.40275483
  H      0.15349852      5.49877998      2.97392633
  H     -0.48586553     -0.94001426     -2.89298313
  O     -1.32349169      5.48389062     -0.38883699
  H      1.89442859      3.24246888     -1.88724148
  H     -0.75643122     -0.46905800     -1.44491221
  O     -2.29550706      0.95165714      3.50580635
  H      1.03624135      4.45839821     -2.29954739
  H     -4.45130544     -0.44901501      1.54936018
  O     -0.75174186      4.74506329     -3.02870029
  H     -4.44373144      5.57629588      0.60289085
  H     -3.28346130      0.36257168      2.14934791
  O     -1.73351212      2.31918325     -2.24660359
  H     -2.99989787      5.17709473      0.22078772
  H     -3.90518467      1.54837218      0.05620537
  O     -1.29643660     -0.87851710      0.14643598
  H      1.97284230      2.65691712      5.43750839
  H     -4.01373309      3.07581797     -0.18624347
  O     -2.18934376      3.46100510      2.43154976
  H      2.72545504      2.59968816      4.09988529
  H      2.63873521      4.18510411      1.83517317
  O     -0.49055211     -0.16868396     -2.33285323
  H     -0.06561298      0.49172147      5.64794520
  H      1.53214162      3.95257862      2.89196520
  O     -3.72174584      0.12073874      1.31630604
  H     -0.46580990      1.94300172      5.96562663
  H      1.15230044      0.78519448      1.54492801
  O     -3.92743379      2.22506483     -0.63172341
  H      3.64082530      5.78174039      0.15732629
  H      1.98639811      2.10476364      1.56963862
  O      2.35674227      3.58904826      2.54110810
  H      2.47674227      4.93822851     -0.40857493
  H      1.99527823      0.49587584      4.92101248
  O      1.63697793      1.41255608      0.99235716
  H     -0.94274359      4.64956579     -0.07109758
  H      2.10410813     -0.97797239      5.38015196
  O      1.52823123     -0.35900184      4.93999356
  H     -1.17966510      5.47423997     -1.34305355
  H      1.32297955      6.24555644      1.14918576
  O      0.48642616      6.52326718      1.54449095
  H     -1.91094231      0.94565926      4.39436225
  H     -0.18103887      6.37065870      0.86398757
          69
 Energy    -251.39694053930234     
  O     12.66865273     10.88316216    -14.25867731
  H     12.99083434     10.35584937    -15.00361741
  H     19.67656660      7.64931103    -16.17427517
  O     16.83990603      6.49910994    -13.90530842
  H     13.31754531     11.58429136    -14.13522129
  H     16.39425543     11.35964595    -16.67108392
  O     18.82314687      9.94978640    -12.24663367
  H     17.73812977      6.59328965    -13.56365102
  H     14.89550212     11.00480098    -16.68738250
  O     17.92016333     10.27042344    -16.49818762
  H     16.57304402      7.38621410    -14.19806532
  H     16.17449939      9.64406749    -13.87674037
  O     13.40265886      6.62862343    -16.31102159
  H     18.97779897      9.80934003    -11.30366205
  H     16.82812765      9.46620439    -15.27494953
  O     16.33884013      8.62442730     -9.08749974
  H     17.92107205     10.29380623    -12.32388083
  H     12.14404287      9.82864935    -13.01324163
  O     15.05722543      6.39505593    -11.83635735
  H     18.68770604     10.44695288    -15.93918521
  H     11.04705128      9.35066256    -12.02973343
  O     16.20223954     10.78728445    -12.48247658
  H     18.08291575      9.44037642    -16.96828511
  H     19.17526766      7.44045802     -9.92118783
  O     18.29759913      7.70010523    -17.53423701
  H     12.73903793      6.05832392    -16.68992892
  H     19.25879180      6.60420266    -11.20705488
  O     16.56538115      5.80090110     -9.53221766
  H     13.22760833      6.65739674    -15.35287391
  H     12.49527211      7.56942662    -13.23252695
  O     16.23875022      6.18823034    -16.60305346
  H     16.33284251      7.65882947     -9.10145860
  H     13.58795216      6.51492442    -12.99841623
  O     20.31528522      7.75859012    -15.45947217
  H     15.63575662      8.89828941     -9.68997967
  H     19.66048077     10.37199319    -13.77684169
  O     15.51158947     11.74069787    -16.57195797
  H     15.49852784      6.07390027    -11.04137292
  H     20.74542618     11.15920022    -14.54432283
  O     16.22185288      9.05830231    -14.64247341
  H     15.70195832      6.34187229    -12.55850571
  H     19.11388556      8.13526277    -12.71471545
  O     11.93803958      9.17589682    -12.31925257
  H     15.55667855     10.26988636    -11.97809496
  H     19.78362530      7.26346720    -13.80524804
  O     19.06947325      6.54361422    -10.26039402
  H     15.74429112     11.51028860    -12.92992305
  H     17.98345001      9.14987988     -9.33622202
  O     12.92297267      6.80543353    -13.63601845
  H     17.54393510      7.15859003    -17.24027996
  H     19.27895200      9.74791762     -8.73848064
  O     20.04183146     10.52479906    -14.65739651
  H     18.52791467      7.39187123    -18.40702677
  H     14.73030907      8.13983449    -11.43583370
  O     19.33774939      7.22401679    -12.94695430
  H     16.59368683      5.05475541     -8.93961086
  H     13.57718867      9.16502109    -11.44562420
  O     18.92423828      9.32867958     -9.51782443
  H     17.48389698      5.97908038     -9.80417354
  H     15.15239971     12.41367363    -14.99764318
  O     14.49991177      9.04829699    -11.18927462
  H     15.28318075      6.31482362    -16.60762740
  H     14.84331891     13.63461429    -14.09956778
  O     14.90276694     12.68299772    -14.09506326
  H     16.47829478      6.07162813    -15.67271533
  H     14.72466615      9.23433212    -15.63659943
  O     13.96672927      9.38290078    -16.22379184
  H     20.35683836      8.70659874    -15.28302185
  H     13.65054373      8.50049871    -16.44639005
          69
 Energy    -251.39505667679566     
  O     -1.72485140      6.38919240     -0.77652659
  H     -1.95924590      7.25279599     -1.10619778
  H      1.08961524      5.27809274      2.11065997
  O      1.37243358      0.56609590      5.38130778
  H     -1.94541987      6.38221183      0.17220533
  H     -1.62135913     -0.83523361      3.18757783
  O     -0.93635079      3.08620926      0.86366962
  H      1.07001203      1.41791366      5.02510867
  H     -2.20296445      0.57051446      2.86990882
  O      0.76687913      3.08017584     -2.41147013
  H      1.54810020      0.70522197      6.30876570
  H     -2.47681270      3.33448120     -1.89490159
  O     -0.24217906     -0.80035525      0.56289633
  H     -1.57130627      3.32855767      0.17910333
  H     -2.45454269      4.73167838     -1.17381451
  O      0.45186874      2.84165936      4.13730986
  H     -0.24244175      2.56139596      0.44612441
  H     -2.89247241      0.02495680     -0.79499965
  O      1.00665732      5.42759910     -0.99482582
  H      1.00576779      2.45666140     -1.71065080
  H     -1.40834529     -0.35904384     -0.87345532
  O     -2.25354150      6.21069167      1.88649024
  H     -0.07275320      2.76336841     -2.76221141
  H     -4.35701244      3.75410833      2.13044054
  O      3.03535068     -0.07572394      3.15194363
  H      0.42002677     -1.36711875      0.97808893
  H     -4.90499873      4.48833458      3.37874161
  O     -0.24363656     -1.48518645      4.13241317
  H     -0.90523844     -0.61365874      1.24169092
  H     -2.80778967      2.93791961      3.31570579
  O      2.66584004      5.11597398      1.08728931
  H     -0.45027361      2.54273347      3.94899546
  H     -1.69676873      2.52376114      2.33030225
  O      0.23072038      5.06136928      2.49227522
  H      0.47319915      3.74913880      3.80540584
  H     -2.11901123      1.82839037     -3.97061506
  O     -2.18852610     -0.35052403      2.57062143
  H      0.11949844      5.79540659     -0.93321119
  H     -1.92495319      1.32023560     -2.52218727
  O     -2.77736635      3.82294979     -1.11759987
  H      0.94395873      4.64986982     -1.57042896
  H     -4.81480496     -0.67499604      0.71719145
  O     -2.12989521      0.02604950     -1.38589365
  H     -1.39591976      5.96595552      2.26006997
  H     -3.49628865     -0.21038612      1.37253594
  O     -4.09851963      4.24967837      2.92993724
  H     -2.89781575      5.59899071      2.26183021
  H     -4.07460636      3.17979641     -0.00764582
  O     -2.08391313      2.31259013      3.19719555
  H      2.59823126      0.08173788      3.99866954
  H     -4.50539104      1.86253483      0.68222690
  O     -1.83747102      2.09935758     -3.10113476
  H      3.04324485      0.78115458      2.70662688
  H      1.78139783      2.56879428      2.75873561
  O     -4.12895146     -0.01361413      0.66117619
  H      0.25128919     -0.83097593      4.64014332
  H      2.65707037      3.36175109      1.75372051
  O     -4.62039762      2.81929834      0.70583152
  H      0.38798932     -1.86261010      3.50758153
  H      0.71217605      0.65561272      0.07520820
  O      2.47315122      2.47504151      2.09096613
  H      3.41622931      5.69342624      0.98026358
  H      1.69678870      1.75097407      0.59400207
  O      1.12580712      1.50127405     -0.14425456
  H      2.10864963      5.23078966      0.29401795
  H      2.24366991     -2.91995091      1.96690878
  O      1.67258286     -2.16693541      2.09117646
  H     -0.17377085      4.42505012      1.87978815
  H      2.23248768     -1.43912178      2.41638096
          69
 Energy    -251.39485960828463     
  O     10.79071143      8.47614988    -13.50826949
  H     11.36464980      7.90438010    -12.96618940
  H     17.82864349     11.52603283    -15.53446568
  O     17.28639773      8.27043054    -14.01996796
  H      9.90620735      8.12943884    -13.43362086
  H     13.17262723     12.22353193    -15.64973683
  O     16.65598853     11.95708059    -11.66637043
  H     17.87593339      8.91657822    -13.60811299
  H     11.72585260     12.35020731    -16.17141254
  O     14.77849420     12.88492397    -15.72876156
  H     16.41103738      8.69184181    -14.05089592
  H     14.14709082      9.34745583    -14.60064171
  O     14.35300334      6.80541123    -15.97617929
  H     16.64304789     12.68484934    -12.29870939
  H     14.71119602     10.09966775    -13.36026499
  O     16.07236198      8.73633500     -8.37045840
  H     15.76026321     11.58676633    -11.64684467
  H     13.08767151      7.38091131    -11.48506523
  O     16.28171210      6.57703853    -12.09361852
  H     15.31974447     13.27904385    -15.03512881
  H     13.05050605      6.34844521    -12.63313316
  O     14.21729191     10.73412931    -11.74354174
  H     15.34520776     12.23380672    -16.16397199
  H     20.57049667      8.97839013    -10.04275189
  O     17.95083330      7.18388605     -9.89692781
  H     13.71022672      7.52673707    -16.00247517
  H     19.13941659      8.42014638    -10.23185156
  O     16.36807514     10.66180919    -16.35251451
  H     15.17517422      7.15064102    -16.34233106
  H     14.13554529      4.44810261    -13.90418598
  O     16.93720226      7.86540859    -16.71964411
  H     15.91234074      8.82122352     -7.43472637
  H     14.31982155      5.85715357    -14.51312143
  O     18.42291209     12.01975750    -14.95338937
  H     16.56921706      9.52839785     -8.64477700
  H     17.39783967     13.24958387    -14.24904206
  O     12.29555820     11.80164677    -15.63837036
  H     16.73289419      7.10987417    -12.76451604
  H     17.06787250     14.69953918    -13.82027564
  O     14.95810593      9.66365589    -14.18470292
  H     15.64651405      6.03039604    -12.57189719
  H     17.93526880     10.83968356    -12.35723949
  O     12.49814976      6.94662419    -12.11535617
  H     13.31177691     10.92413804    -12.02979187
  H     19.13693343      9.93321790    -11.98360291
  O     19.70858263      9.19540184    -10.38701409
  H     14.23296587      9.87277797    -11.30382075
  H     17.26740199     11.32784267    -10.01335464
  O     14.28813652      5.36137513    -13.67568552
  H     17.31571773      7.57214815     -9.28232155
  H     18.40217948     10.37602059     -9.57885751
  O     16.72823854     13.80822599    -13.81350078
  H     17.43096694      6.82426503    -10.62757509
  H     14.93454320      8.37029486     -9.77487028
  O     18.64233211     10.29190424    -12.73040315
  H     16.58748593      9.81572106    -16.75522069
  H     15.14995194      7.68426117    -11.14667824
  O     17.58892013     10.79597110     -9.27320343
  H     15.86016793     10.43293328    -15.55715366
  H     11.90615046     11.44238596    -13.78962069
  O     14.51968024      8.20777337    -10.63135359
  H     17.63757263      7.39387418    -17.16383202
  H     11.33417820     10.24023204    -13.02078360
  O     11.76728715     11.09443901    -12.89993712
  H     17.19477750      7.93122934    -15.78375338
  H     11.93633882      8.74864405    -14.93204706
  O     12.61707149      8.99364314    -15.57397038
  H     18.68632978     11.40794534    -14.25339603
  H     12.49224821      9.93511433    -15.75312453
          69
 Energy    -251.39477312058989     
  O     11.45499543      9.02232310    -10.37525836
  H     11.15386572      8.26237239    -10.89294494
  H     18.16511860      5.28575852    -11.21807486
  O     17.30100842      9.71727925    -11.60569706
  H     11.73525635      9.69075851    -11.01181202
  H     17.41154610      7.87479917    -11.35765337
  O     14.60038714      5.76876286    -14.93515754
  H     17.92174149     10.38575089    -11.32846377
  H     16.45986219      6.75904824    -10.85493981
  O     16.51615091      2.27630471    -13.57709724
  H     16.44528067      9.94015775    -11.19630017
  H     13.01249898      3.29189248    -13.93375762
  O     16.40423964      9.15662237    -14.26024354
  H     14.40268397      4.88010526    -14.60801434
  H     14.00913393      3.60164820    -12.78172643
  O     13.69852538      9.49856970    -14.28709410
  H     15.52254064      5.96823408    -14.72006264
  H     13.77804009      8.08377564    -13.06912937
  O     14.89242944     10.26531352    -10.52529699
  H     16.54611770      2.17636230    -12.61733557
  H     14.03740536      6.60199423    -13.38256513
  O     11.16638634      3.40748711    -14.03357760
  H     15.61312998      2.55480168    -13.77879355
  H     12.72190270      8.67516256     -9.25005238
  O     16.60032123      2.48350995    -10.71541428
  H     16.76004878      9.44151430    -13.40887859
  H     13.27580065      8.64543478     -7.80484507
  O     12.65996549     10.89926356    -12.19167353
  H     16.72428235      8.25436488    -14.38227450
  H     12.81867665      7.45849099    -17.01614417
  O     18.54147077      3.98114341    -14.17089958
  H     13.31407872      8.92569289    -14.96151074
  H     13.45826725      6.82696007    -15.75765789
  O     18.45782076      4.36933872    -11.31568578
  H     14.66527144      9.45629792    -14.37201033
  H     17.14839742      6.56273206    -13.12533285
  O     17.29229080      6.91770647    -11.32229027
  H     14.15466383     10.57512408    -11.06414895
  H     17.69181049      5.62637713    -14.23009945
  O     13.94916855      3.40256494    -13.72818619
  H     14.50630893      9.71435758     -9.83405863
  H     11.25444036      6.60441845    -15.17653188
  O     13.77587997      7.20371342    -12.67478959
  H     11.15307202      3.58775914    -13.07502729
  H     10.78733068      5.24377269    -14.60113725
  O     13.52358658      8.52125767     -8.71667715
  H     10.51833469      2.72631305    -14.19312895
  H     14.37988207      7.11889899     -9.59054096
  O     12.78502248      7.46041792    -16.06241412
  H     17.28633357      3.16250056    -10.84807821
  H     14.42538341      6.82365231    -11.10980275
  O     17.13504542      6.40057973    -14.07965980
  H     16.93342008      1.88012210    -10.05671211
  H     10.71125207      6.67094929    -12.88954840
  O     10.56638202      6.18227383    -14.64955899
  H     12.30750987     11.74551615    -12.45573707
  H     12.04439056      6.92946085    -12.17995726
  O     14.76745923      6.53038724    -10.24856071
  H     12.97837032     10.46506880    -13.00120940
  H     11.20382890      5.01519822    -11.45076460
  O     11.09876098      6.80598435    -12.01306430
  H     17.82205246      3.33763236    -14.03724172
  H     12.27083257      3.94578599    -11.10293850
  O     11.36361806      4.06184172    -11.41156639
  H     19.19053422      3.55819467    -14.72614746
  H     14.38756839      4.79071319    -10.64004754
  O     14.18572390      3.90884318    -10.98215705
  H     18.65755876      4.25353670    -12.25245989
  H     14.95756152      3.35888785    -10.79730469
          69
 Energy    -251.39420693214043     
  O     -3.46915264      3.93750738      2.65284285
  H     -3.56221283      3.75700112      1.70589154
  H     -4.11325818     -1.22816519      5.03083848
  O     -1.32604158      4.57235301     -0.85430173
  H     -3.17168252      3.11362212      3.06833968
  H     -4.21406047      0.26015952     -1.25032216
  O     -0.39857590      0.63609801      2.56316710
  H     -1.03426471      5.09965845     -1.59294588
  H     -3.81301810      0.55561411      0.20382902
  O     -4.30063315     -2.67746554     -0.00764028
  H     -0.74353898      3.79164435     -0.81805384
  H     -6.38068878      3.12009547      1.75220949
  O     -1.63408750     -2.71092828      0.43635974
  H      0.20380269      1.38919973      2.53701908
  H     -5.52093421      3.00942095      0.46717672
  O     -4.54199167      0.46655943      1.81549414
  H     -0.60340000      0.41685777      1.64242426
  H     -0.04120692      1.53285796     -0.50184843
  O     -6.10583798      3.93087920      3.43966943
  H     -4.80265860     -2.59506580      0.81635874
  H      0.72431271      2.57748217      0.33579882
  O     -7.97905674     -0.57778290      2.81384042
  H     -4.76549530     -2.13399072     -0.65280528
  H     -3.65821738      2.50945417     -0.40904874
  O     -2.79124571      1.46328256      3.63414437
  H     -2.59091004     -2.71912234      0.25258608
  H     -3.01135757      3.91221286     -0.44072728
  O     -5.70727651     -0.80420244     -1.68212941
  H     -1.29823107     -3.56335063      0.17225580
  H     -3.68811052      0.93965810      5.06812906
  O     -5.62674613     -2.05311556      2.33728844
  H     -5.26564333      1.07811663      1.63361229
  H     -3.95457788      0.79640866      6.58507327
  O     -4.02032765     -2.03089850      4.50817924
  H     -4.91366518     -0.41011368      1.97895990
  H     -1.73249421      4.69106493      2.33921299
  O     -3.56389959      0.73331572     -0.71813570
  H     -5.15804077      4.02696437      3.24614103
  H     -1.00740883      4.93537748      1.00498227
  O     -6.26631737      2.61405016      0.93901150
  H     -6.40963549      4.77810785      3.75562253
  H      0.41753992      3.69496383      2.18579030
  O      0.30713741      2.43383660     -0.52260410
  H     -8.80590220     -0.80900808      3.22883627
  H      1.88690825      3.37082373      2.54725035
  O     -3.77046456      3.42155792     -0.10221716
  H     -7.56175313      0.09474274      3.38106405
  H     -6.56338490      2.19783200      4.13123089
  O     -4.31169655      0.58662860      5.72575264
  H     -3.40898976      1.05187223      3.00707506
  H     -5.95637583      1.00031367      4.88944920
  O     -0.86531520      4.87555138      1.95839739
  H     -1.90441608      1.19887621      3.35757447
  H     -1.04811156     -1.09645644      3.14225842
  O      1.09040432      2.99119907      2.18630729
  H     -6.16688795     -0.99361455     -2.49556939
  H     -1.58983044     -2.26404577      2.30767915
  O     -6.71741425      1.27487509      4.36218273
  H     -6.37447408     -0.46728891     -1.05771436
  H     -1.06690962     -0.99420850      0.01143312
  O     -1.56797119     -1.90598117      3.20337988
  H     -6.50193608     -1.71578016      2.55838579
  H     -1.84820983      0.26136142     -0.41832633
  O     -0.98339186     -0.03875920     -0.10356718
  H     -5.11645500     -2.14780189      3.15871204
  H     -7.19445960      1.16274582      0.28368260
  O     -7.47373575      0.25367105      0.10526896
  H     -3.12884794     -2.01451363      4.12626671
  H     -7.74267093     -0.10374692      0.95948285
          69
 Energy    -251.38998599843546     
  O     15.69629460      9.44712566    -16.50376806
  H     16.33099484      9.66037448    -15.80915993
  H     19.06821691      6.29586199    -17.73167573
  O     17.77590048      5.51505131    -12.02331542
  H     14.87075067      9.21478693    -16.06245613
  H     17.41450511      6.44084235    -16.12974491
  O     19.65766690      4.66438770    -18.31149299
  H     17.33663732      6.31102866    -12.36047624
  H     16.73947977      6.64267988    -14.73601409
  O     17.20863995      3.57867409    -18.26714363
  H     18.65442602      5.51579897    -12.42092396
  H     12.42266992      8.97885915    -15.29110874
  O     13.72392666      6.77049897    -10.08720913
  H     20.17514971      4.34142724    -19.04311318
  H     13.38677352      8.25302788    -14.32733744
  O     13.74374465      4.78893322    -13.71623778
  H     18.78513362      4.23021630    -18.36806866
  H     14.05269979      3.18694388    -10.60268504
  O     16.50658307      7.63485340    -13.18434306
  H     16.50886375      4.20732343    -18.49755120
  H     14.66270746      1.93936550     -9.91755506
  O     17.07517334      3.36425061    -15.44312116
  H     17.04919425      3.30498033    -17.35523370
  H     15.01747529      6.04599535    -16.05097428
  O     12.74461274      4.24533707    -11.13000135
  H     14.57444090      6.31172515     -9.96142861
  H     13.70116609      6.85924430    -16.04809325
  O     19.55612648      8.16124820    -14.91872181
  H     13.50777515      7.18046125     -9.25418904
  H     20.07814361      5.11741599    -14.21508341
  O     19.79875864      4.02071318    -15.51834554
  H     13.75844067      5.00557173    -14.65726076
  H     21.06980781      5.61337481    -13.13889122
  O     18.68557544      7.07881716    -17.31418143
  H     14.56246578      4.31685327    -13.50855733
  H     15.72737493      3.05301026    -12.04090793
  O     16.73238792      6.10362973    -15.53583529
  H     15.55550988      7.66858946    -13.02237272
  H     16.69770480      4.13397196    -12.58428769
  O     13.28615152      8.57571530    -15.23786721
  H     16.80400932      8.50249293    -13.48440660
  H     16.72983531      5.41564255    -10.45825327
  O     14.88953143      2.73975266    -10.38252352
  H     16.95668846      4.32589443    -15.50458941
  H     15.72746977      4.39875357     -9.87709913
  O     14.06375981      5.98446179    -16.22670127
  H     16.71739107      3.12437204    -14.58062029
  H     15.70045426      6.43422619    -18.82688544
  O     20.18800472      5.74538668    -13.47808870
  H     12.89976366      5.10776127    -10.72632636
  H     14.69390098      5.61682224    -18.00570893
  O     16.06014974      3.45572409    -12.85144862
  H     12.89363738      4.36800200    -12.07792226
  H     13.74192637      6.48038512    -13.12568868
  O     16.00652194      5.32155592     -9.82488727
  H     19.37956920      7.82517625    -15.80960022
  H     13.68265830      7.33810449    -11.83766520
  O     15.30582671      5.55750385    -18.74985007
  H     19.79215871      7.39581542    -14.38251509
  H     17.91900401     10.73891144    -14.10451185
  O     13.76513318      7.39356799    -12.79788300
  H     19.91740441      4.21293043    -16.45519335
  H     18.34667166      9.32783329    -14.58048642
  O     17.57673220      9.89789493    -14.39396720
  H     18.91311832      3.63914199    -15.44290164
  H     16.47898657      8.77063555    -19.48080159
  O     16.54773683      8.17230830    -18.74145513
  H     18.04353278      7.46378739    -17.92469524
  H     16.21085047      8.64999776    -17.96218093
          69
 Energy    -251.38635769103200     
  O     -2.84757347      1.05760347      1.15032652
  H     -3.50080825      0.51090221      0.69824568
  H     -2.58419103     -5.93253014     -0.95028459
  O     -2.36351325     -2.33406326      7.70338332
  H     -3.00978918      0.92980710      2.09371137
  H      2.23543273     -1.11231250      2.18823480
  O      1.28421304      0.32532414      2.22439959
  H     -2.32686077     -2.47827983      8.64508160
  H      3.64045102     -1.74808074      2.28150033
  O     -3.39840320      0.12699772      3.75344759
  H     -2.92370669     -3.03956847      7.33037293
  H     -0.97772178     -1.91908737      0.88199936
  O      1.58666678     -3.78757984      4.06678959
  H      0.60958176      0.12315625      2.88985246
  H     -0.92562157     -1.74740937      2.43284904
  O     -3.86938977     -4.17488736      6.39814334
  H      0.81447538      0.73509512      1.48953770
  H     -3.26389807     -4.50484488      1.24519054
  O     -0.61534398     -2.77084496      5.54518314
  H     -3.91971498     -0.56856658      3.33219574
  H     -2.56548555     -3.32328157      1.94658478
  O      0.35251709     -6.06797429      3.37952724
  H     -3.61966772      0.08953859      4.69539465
  H     -4.47262995     -2.69879677      2.41043481
  O     -5.82490545     -2.49615120      5.13598886
  H      0.98759470     -3.31775195      4.66073011
  H     -5.08282324     -1.46806357      1.70832607
  O     -0.36154249      1.32235283      0.11239553
  H      1.95491373     -3.14196062      3.45143698
  H      1.19861492     -3.74367381     -0.03012904
  O     -0.13086916     -4.83397695      0.89768454
  H     -4.57829304     -3.70927567      5.93714590
  H      2.07603688     -2.61158357      0.52458588
  O     -2.53837505     -5.14883018     -0.40899789
  H     -3.30580049     -4.56798341      5.71836638
  H     -1.64816881     -0.28485365      3.85201481
  O      2.71507679     -1.96014669      2.18555808
  H     -1.12880607     -3.47559813      5.12507517
  H     -0.66557986     -1.29652467      4.51666239
  O     -1.12506836     -2.36929411      1.72369791
  H     -1.07116065     -2.56024767      6.36928612
  H     -0.37291371     -0.39081394     -0.61408512
  O     -3.28759641     -3.96827512      2.04505360
  H      0.83886751     -6.83087814      3.67912158
  H      0.30343465     -1.80369587     -0.75114977
  O     -5.00349441     -1.90306921      2.56659734
  H      0.87081071     -5.28223858      3.63892343
  H     -2.16638777     -2.01820889     -1.21821217
  O      1.64340786     -2.92481326     -0.28063153
  H     -6.77523105     -2.55275515      5.20352770
  H     -2.92575777     -3.35192717     -1.04350181
  O     -0.73750010     -0.60938141      3.84067990
  H     -5.62653939     -2.27618348      4.21137240
  H     -4.77530138     -1.13554832      6.05077916
  O     -0.53620108     -1.32253428     -0.80507992
  H     -1.25604690      1.27793010      0.49690837
  H     -3.47497795     -0.98648757      6.85737753
  O     -3.05062205     -2.41370107     -1.22050345
  H     -0.28568083      2.17448748     -0.30830385
  H     -2.53740963     -4.64258235      3.55969676
  O     -4.11271479     -0.49112239      6.32993615
  H      0.07322094     -5.38730603      1.66092493
  H     -1.29979716     -5.42712273      4.06717330
  O     -2.05209908     -4.89725727      4.35687023
  H     -0.36589834     -3.96245579      1.25462039
  H     -4.18621208     -1.36636829     -0.44230771
  O     -4.78003806     -0.74696336      0.01948598
  H     -1.64151439     -5.11905041     -0.03407416
  H     -5.41838621     -0.44959907     -0.62357080
          69
 Energy    -251.38396741674308     
  O     -3.86399133      0.29537352      3.27846977
  H     -3.57494220      1.18421319      3.52428413
  H     -6.22646189     -2.02595401      2.11072171
  O      0.40416704      3.65367515      2.13039276
  H     -3.07340021     -0.21621174      3.05863954
  H     -3.00298762      1.54836072     -0.20094267
  O     -1.62964093     -1.08311146      2.42937572
  H      0.91945970      4.45364854      2.05580208
  H     -2.66807765      2.17362867     -1.56998186
  O     -4.14799475     -0.47382921     -2.60876448
  H     -0.48091834      3.86297148      1.79143772
  H      1.03053422      1.89144598      1.70291643
  O     -2.09368944     -2.12574260     -1.48633034
  H     -0.91736015     -0.92875113      3.06193211
  H      0.71907273      0.57249494      0.95031804
  O     -4.40872408      0.92072505      0.62147405
  H     -1.32094771     -0.72876636      1.58342711
  H     -5.43484914      4.19593524      2.27950917
  O     -7.68983110      1.78734523      2.63158351
  H     -4.90244053     -0.69480499     -2.04367696
  H     -4.82923457      3.35899579      3.41524716
  O     -7.75741415      1.25853498     -0.16471874
  H     -3.41704218     -1.02355717     -2.30383467
  H     -2.97333239      4.52976338      1.05266070
  O     -3.02300339      2.89481081      3.69001873
  H     -2.54905508     -2.42349246     -0.67724063
  H     -2.16543243      3.33081152      0.49865541
  O     -3.93962704      2.17951834     -2.98594169
  H     -1.77251486     -2.91037806     -1.92314987
  H     -5.07817627      4.43866341      0.11772456
  O     -6.10608185     -0.88480992     -0.68877055
  H     -4.92417131      0.21513357      0.20999993
  H     -5.10830281      5.95244858      0.43990781
  O     -6.04607514     -2.71246606      1.44270717
  H     -4.30461820      0.71125649      1.55656677
  H     -6.94007793      0.08791677      3.02157115
  O     -2.30100707      2.00700249     -0.69450977
  H     -8.42682351      2.09743572      3.15232673
  H     -5.52587373     -0.39975471      3.38417407
  O      1.27233975      0.95898652      1.64271349
  H     -6.96694225      2.42329317      2.77252934
  H     -0.16372055      1.47516928      4.51683483
  O     -5.66458287      3.57842453      2.98257253
  H     -7.22484565      1.97950931     -0.52066540
  H     -0.06359540      2.85342115      3.84370223
  O     -2.18106878      3.99952184      1.20003769
  H     -7.80950659      1.42220180      0.78643987
  H      0.91987936      0.16070531      3.15554837
  O     -4.73935552      5.12011608      0.72408143
  H     -2.75808375      3.25168410      2.83238344
  H      1.29214771     -0.67407543      4.40622361
  O     -6.42393095     -0.70818496      3.19222358
  H     -2.19974890      2.73692952      4.17495380
  H     -4.17506557     -2.80943254      1.11292556
  O     -0.47908816      2.38470082      4.57836835
  H     -3.88343002      2.37924963     -3.91578702
  H     -2.75388363     -2.34882512      1.54740147
  O      0.56489329     -0.23605890      3.97245023
  H     -4.02943046      1.21030708     -2.91185037
  H     -1.03096695     -0.84458173     -0.61901724
  O     -3.24572848     -2.81083454      0.85657766
  H     -6.81083614     -0.23566636     -0.54015352
  H     -1.15841897      0.66707978     -0.33497289
  O     -0.68784141     -0.13387356     -0.06332819
  H     -6.19564426     -1.58831854     -0.03486321
  H     -5.24143404      2.32294436     -0.18814178
  O     -5.55724055      3.00607020     -0.80165857
  H     -6.56810530     -3.47342179      1.68153909
  H     -5.11337992      2.82705584     -1.64024199
          69
 Energy    -251.38358573377209     
  O     -2.58270902     -0.93541264      0.85664840
  H     -1.97826914     -0.37213057      0.36438727
  H     -1.54606545     -5.82368182      0.18165814
  O     -2.22165312     -1.81650950      7.91718776
  H     -2.03176263     -1.63834907      1.23744100
  H      2.69458163     -2.04454982      3.22165044
  O      0.85172716      0.27312165      2.00114246
  H     -2.31285343     -1.32896874      8.73108386
  H      3.88879158     -1.38800635      2.48920029
  O     -3.56235819     -0.91921621      3.47475702
  H     -2.93043959     -1.50849687      7.32362034
  H     -0.71315654     -2.08687567      2.82286588
  O      2.15676175     -2.92188928      4.60132595
  H      0.27219788      0.09327283      2.75477483
  H     -0.03396951     -2.98417571      1.73618056
  O     -3.01555252     -4.48804012      7.17851340
  H      1.63653386     -0.27159524      2.13486197
  H     -1.72251459     -4.20782392      2.65069376
  O     -0.19171745     -2.40160334      6.08694316
  H     -3.36555604     -0.66847363      2.56337570
  H     -2.00233721     -5.68427136      2.28684804
  O      1.67409583     -5.73030662      4.50117044
  H     -3.89376124     -1.82845587      3.41798370
  H      1.15944959     -2.99194734     -0.01442473
  O     -5.32273074     -3.82305724      5.90643360
  H      1.46761362     -2.62621402      5.20895691
  H      2.09677545     -2.72945580      1.21988206
  O      1.18604599     -5.93397706      1.86021844
  H      2.08210569     -3.88368591      4.56808126
  H     -4.89585493     -3.70547743      4.08877617
  O     -1.92339297     -4.40675249     -0.72151705
  H     -2.71236942     -3.66291911      7.57660119
  H     -3.73446757     -4.14638157      3.16268940
  O     -1.36247537     -6.57945287      0.77012996
  H     -2.28120754     -4.80852297      6.63787756
  H      0.22025491     -2.25562918     -2.29482887
  O      2.96046744     -1.58682485      2.40249949
  H     -0.77627256     -2.13559482      6.80753757
  H     -0.09506295     -1.36414672     -1.07479148
  O     -0.87650537     -2.75712711      2.14647108
  H     -0.46199972     -3.29675327      5.83431191
  H     -0.58674234     -1.20660239      4.79694869
  O     -2.17276474     -5.01266797      2.95664378
  H      2.27477317     -6.42387060      4.75981554
  H     -1.78230703     -0.69092347      3.93985493
  O      1.51426864     -3.37473223      0.79805014
  H      1.50150003     -5.84785805      3.54906592
  H     -0.30572932      1.18980836     -0.75969738
  O     -4.49266045     -3.54668095      3.22663288
  H     -4.52421977     -4.14458762      6.36243117
  H      0.10254738      0.33129914      0.46236226
  O      0.07265205     -2.27845876     -1.35166731
  H     -6.06812635     -4.24204002      6.32795083
  H     -4.74006657     -2.00135805      6.12666182
  O     -0.81821998     -0.68809724      4.01445073
  H      0.35854762     -6.24763379      1.47657419
  H     -4.04691932     -0.90388113      5.29873057
  O     -0.35318000      0.30842773     -0.40003923
  H      1.38444912     -5.09526963      1.42141925
  H     -0.01891131     -5.36411855      5.20669260
  O     -4.22977759     -1.18518490      6.20430720
  H     -2.75230935     -4.02110077     -0.39811942
  H     -1.39556713     -5.06996384      4.56918038
  O     -0.89887206     -5.01814202      5.39904842
  H     -1.33254735     -3.67561737     -0.92055175
  H     -4.47231353     -3.37118199      1.26430505
  O     -4.17789230     -3.18711975      0.36456377
  H     -1.69625663     -7.35640848      0.33072905
  H     -3.79827450     -2.29857145      0.39962505
          69
 Energy    -251.38252190494416     
  O     15.25883037     12.32882295    -12.06696831
  H     16.03056663     11.90644692    -11.67061631
  H     11.51811379     11.16448305    -11.54397472
  O     16.76427779      8.49183726     -7.62738387
  H     14.68008256     12.54847783    -11.32644709
  H     14.90139957      9.92455401    -14.98464925
  O     17.17024221      6.64134132    -10.89940174
  H     17.54365756      8.58068509     -8.18820836
  H     15.83377586      9.01621552    -14.18556494
  O     14.02101432      4.83964336    -10.79387315
  H     16.20811194      9.25568436     -7.82999067
  H     18.31603594      7.84860736    -10.17596176
  O     17.07492441     10.71406151    -10.61128265
  H     16.93757815      5.97613023    -11.55995920
  H     19.69211010      8.37540735     -9.71382244
  O     13.62580355     12.72591347     -9.75121963
  H     16.48466211      6.61010012    -10.21468957
  H     15.76912141      7.10836557     -8.32235458
  O      9.93582886      7.41649739    -11.21645746
  H     14.69436637      4.80133502    -11.48346617
  H     14.42664171      7.18062681     -9.06576989
  O     15.01206122     10.47382148     -8.76235550
  H     14.41560091      5.31647125    -10.05289970
  H     12.60257252     10.90147091    -13.70719936
  O     13.49654826      8.33606920    -12.13284911
  H     16.38030449     10.63672402     -9.93882044
  H     12.53761812      9.69131583    -12.75309214
  O     11.43707003      5.01449245    -11.53974637
  H     17.79431141     10.13932979    -10.32409434
  H     11.88105338      5.85929381    -13.12801082
  O     14.82502033      6.36463511    -14.70311736
  H     12.79843533     12.30365600    -10.04519506
  H     11.46316277      7.07709289    -13.99595135
  O     11.40672672     11.47078385    -10.63463024
  H     13.38675787     13.56775673     -9.37299438
  H      9.51885222      8.75348989    -14.50625955
  O     15.37085515      9.08596139    -15.03370067
  H     10.42905775      6.58728767    -11.25227174
  H     10.75202699      9.22251975    -13.69801295
  O     18.76290697      8.59040930     -9.73524851
  H      9.91130217      7.75920327    -12.11764235
  H      9.83791053      9.09206667     -8.54674139
  O     15.19974615      6.61336901     -8.92879374
  H     14.37660116      9.77400205     -8.97142095
  H     10.23317450      8.52557766     -9.93248914
  O     11.99344695     10.37689700    -13.17283117
  H     14.56354113     11.30593800     -8.95787243
  H     15.66454367      5.45266788    -13.50896917
  O     12.18142656      6.45494248    -13.82728753
  H     13.19209495      7.62100317    -12.70303731
  H     16.43043778      4.14174969    -13.22120311
  O     10.17496050      8.46086959    -13.87923910
  H     14.43701715      8.48214278    -12.30491231
  H     14.55573614     11.91672683    -13.61377204
  O     10.49102721      9.15850345     -9.23784663
  H     12.35326276      4.95002654    -11.21482452
  H     14.24456777     12.39705351    -15.04769437
  O     16.07661136      4.92211349    -12.80283004
  H     11.04663928      4.15212135    -11.42415092
  H     12.28815415      8.66340998     -9.22097390
  O     14.10545293     11.67309142    -14.44273038
  H     13.86987303      6.31385626    -14.56778866
  H     13.26863909      8.39761498    -10.39478819
  O     13.20520286      8.45397699     -9.42843523
  H     15.01447473      7.27959005    -14.95387281
  H     16.57564143      8.00304568    -11.97500160
  O     16.21401893      8.78511700    -12.40899396
  H     11.03371277     10.73160115    -10.13948095
  H     16.48135753      9.53968134    -11.86937805
          69
 Energy    -251.37751987566503     
  O     13.16035162     11.29726241    -14.26354622
  H     13.94299192     11.07076107    -13.73111478
  H     17.37642432      5.13353760    -15.72806783
  O     12.88278619      5.13572052    -16.97358631
  H     13.17495626     12.24477189    -14.37465021
  H     15.37961804      4.76897297    -15.06504783
  O     14.31427954      5.61871276    -11.63638388
  H     12.42271517      5.98563106    -17.04545411
  H     14.66601129      5.18659048    -16.37436129
  O     18.62451280      5.71623992    -11.77159097
  H     12.60425522      4.61324787    -17.72330998
  H     15.71310309      6.68545613    -11.20384213
  O     12.48568375      3.75022490    -14.42517552
  H     13.56014260      5.55603154    -11.03973027
  H     16.01007754      8.08708979    -10.61687712
  O     10.99909551      9.85376353    -13.09794342
  H     14.02143173      6.19536234    -12.36240824
  H     12.57811871      7.35177133    -13.87265536
  O     11.56478243      7.60330294    -17.15941723
  H     17.93109227      6.26507128    -11.38279144
  H     14.07629116      7.69899904    -14.16250291
  O     14.90889455      9.55648238    -10.12310350
  H     19.03246305      6.25133359    -12.46367880
  H     14.14686480      9.01229682    -16.21417257
  O     19.45612203      7.15810182    -14.11950745
  H     13.39070985      3.59770008    -14.12605400
  H     13.21206199     10.15052928    -15.76485654
  O     10.81272817      7.44715414    -14.41795917
  H     12.56116785      4.20209687    -15.27278179
  H     11.32463577      5.47875108     -9.63868326
  O     17.93521361      3.41322278    -13.03797139
  H     11.68827957     10.39864345    -13.50029509
  H     11.40923626      5.62976822    -11.17692603
  O     18.26844920      5.06006612    -15.36542057
  H     11.36566520      9.54932181    -12.25892719
  H     12.93366190      8.27196694    -11.95208483
  O     15.49894601      5.25786734    -15.89326116
  H     11.00072816      7.93503159    -17.85282592
  H     12.22543621      7.71163059    -10.70194721
  O     16.41628900      7.33689616    -11.06681311
  H     12.19710016      8.31529389    -16.94664717
  H     16.10233520      3.54719478    -13.33719388
  O     13.45557127      7.43041787    -13.47634774
  H     14.02940126      9.22593036    -10.37613597
  H     14.91225619      4.37451370    -12.78694285
  O     13.33248838      9.48149721    -16.44872974
  H     14.80434580     10.01865535     -9.29552092
  H     11.36890940      4.61175009    -13.26525337
  O     11.81827342      5.90421707    -10.33338186
  H     19.05865386      6.43870710    -14.64290043
  H     10.64679773      5.97152383    -13.30241731
  O     12.57206275      8.52636790    -11.08782120
  H     20.31377024      7.33278073    -14.49680117
  H     16.07800721      8.23603981    -14.79108101
  O     15.19641221      3.81905614    -13.52776684
  H     10.91156011      7.53507744    -15.37160691
  H     15.51192520      7.04466434    -15.62793368
  O     10.83891991      5.21855537    -12.72853303
  H     10.74327249      8.33542941    -14.03409914
  H     15.20995598     10.40685247    -11.82148144
  O     15.39039748      7.98110547    -15.42035089
  H     18.18011828      4.19389848    -12.50925545
  H     16.05028107     10.09973614    -13.07026027
  O     15.32475388     10.64916684    -12.74753602
  H     18.44868133      2.68239050    -12.70473089
  H     18.03716060      8.26373121    -13.69865691
  O     17.18961629      8.63897946    -13.42950581
  H     18.21612797      4.38595694    -14.67599951
  H     16.91974228      8.16369268    -12.63050747
          69
 Energy    -251.37544758794115     
  O     14.92976008     12.29029142    -13.06920769
  H     15.17318747     12.14882037    -12.14702352
  H     18.81095483      5.25022584    -12.56003114
  O     15.46797154      6.08725128    -14.36830290
  H     15.75386728     12.24744470    -13.56888495
  H     18.06027632     11.36771581    -12.70456027
  O     15.17112023      6.62389310     -9.96368753
  H     14.55679565      6.39196041    -14.48088159
  H     18.51748355     10.18884356    -11.80471072
  O     18.76702447      8.33503426    -11.85395686
  H     15.48328138      5.48131745    -13.61508609
  H     17.12091840      8.33228378    -12.63099427
  O     13.71592736      9.38311227    -15.99464416
  H     14.33529892      6.23687148     -9.67287839
  H     16.01848224      7.53988598    -13.42190467
  O     11.07317858      6.82376525    -11.27086506
  H     14.97721673      7.53302910    -10.23512313
  H     12.05474420     11.97044882    -14.29369529
  O     12.89368894      7.10223143    -14.45898919
  H     18.56282299      7.80950491    -11.06912618
  H     13.45868195     11.64864776    -13.72967917
  O     14.70321867      9.17722088    -10.91905695
  H     19.18626538      7.74797431    -12.49809982
  H     13.93986213      3.92464420    -11.89588802
  O     11.30462714      4.99689259    -13.47705236
  H     13.38788269      8.53889434    -15.66062150
  H     12.84136702      4.23726888    -10.87039723
  O     19.60046098      6.50725232    -13.79334454
  H     13.30614576     10.05759854    -15.43860394
  H     18.20087470      6.57763460     -8.83007112
  O     17.72409542      7.06514528    -15.66569885
  H     10.98371673      6.23106556    -12.02715348
  H     16.95675608      6.63406156     -9.74299423
  O     18.36749224      4.74801518    -11.86567012
  H     11.40995531      7.65733883    -11.62690095
  H     16.58293204      4.53336452    -11.99677276
  O     18.19930919     11.10066738    -11.78709022
  H     12.30621250      6.36145928    -14.26440320
  H     15.45061791      5.36633413    -11.34249748
  O     16.22500061      8.37970227    -12.98904577
  H     12.75813858      7.74611909    -13.74936198
  H     12.12510592      5.37892319     -8.66337942
  O     12.64453962     11.25049756    -14.08617624
  H     15.04103473     10.02761161    -10.61539267
  H     12.04634622      6.05960038    -10.05032482
  O     12.99674318      3.80434823    -11.71822851
  H     15.21875735      8.94365283    -11.71026066
  H     17.86372004     12.45284061    -15.06762118
  O     17.92792591      6.65968361     -9.74070237
  H     10.70865604      4.36099016    -13.86316630
  H     17.10820953     11.11360320    -14.90035195
  O     15.62618212      4.68095021    -12.00082380
  H     11.91446801      4.49877919    -12.90348827
  H     13.14732271      9.09429206    -11.83560175
  O     12.63094307      5.56044807     -9.45089837
  H     20.42659558      6.28989708    -14.21691932
  H     12.36091431      9.79663117    -12.97277565
  O     17.42644755     11.90072679    -14.42479135
  H     18.96345706      6.69715928    -14.50523324
  H     16.78062606     11.46497500    -10.86242883
  O     12.39447261      8.99552281    -12.43537359
  H     17.41501355      7.96600038    -15.81684276
  H     16.07823898     12.26940294     -9.74097012
  O     15.91743279     11.65285246    -10.44970444
  H     16.94094232      6.57713074    -15.37093521
  H     15.50152184      9.57005813    -15.81007121
  O     16.40228818      9.61367786    -15.45744001
  H     18.35957719      5.31942064    -11.08792686
  H     16.34459384      9.24414766    -14.56291069
          69
 Energy    -251.37422815045409     
  O      1.16310824      0.87828424      5.11723843
  H      1.76137865      0.95386287      5.85658888
  H     -6.21572519     -1.41771869      4.05703559
  O      1.32296879     -0.42323973     -2.75132150
  H      0.53470699      0.16829101      5.34066882
  H     -1.54402411      1.72474329      2.17857587
  O     -0.66724882     -1.04339099      5.70434734
  H      1.63467366     -1.26329365     -2.39389316
  H     -0.60985858      2.58868307      1.31893794
  O     -0.88422898     -0.01469732     -1.04618689
  H      0.45772580     -0.27091054     -2.34586498
  H     -3.32529944      0.92951276      5.25572088
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  H     -1.55992319     -0.67870240      5.61897713
  H     -2.32415518     -0.00057627      3.41270608
  O     -4.06913586      2.94131122      2.68156815
  H     -0.38729852      0.62814250     -0.52072838
  H     -1.19273964     -0.65365176      2.56214078
  O     -3.41484529     -3.23505109      3.06576350
  H     -1.80238726      0.00609806     -0.74746580
  H     -0.57056754     -1.71312320     -0.55729935
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  H      2.91617087     -3.32708780     -1.42873846
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  H      1.27943271     -0.62930052      2.43115829
  O     -5.37240111      0.64196059      1.84775226
  H      3.36403694      0.08350987     -0.30433315
  H      1.71550506      0.52324968      3.35339183
  O     -5.32568604     -1.22714114      3.77403979
  H      2.98983179     -0.41181388      1.10603666
  H     -3.53327652      3.37261077      6.15384074
  O     -1.33425509      2.64522893      1.95250078
  H     -3.93298702      2.96893705      3.63566832
  H     -2.37372776      2.88188592      5.25226097
  O     -3.15810227     -0.00233763      5.06018518
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  H      1.49625518      1.82699001     -0.26186603
  O     -1.89615878      0.00596712      2.54742926
  H     -4.09239297     -2.58149199      3.27717400
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  O     -0.38291380     -2.62569701     -0.28578193
  H     -3.34868976     -3.27358749      2.10423436
  H     -1.93691428     -3.45527387      3.93238238
  O      1.81600636      0.17812884      2.45871705
  H     -0.85676563      2.99552781      3.70497954
  H     -0.99331814     -4.42314388      4.68737393
  O     -3.31663950      2.75116476      5.46462482
  H     -0.06832523      2.30922106      4.84220419
  H     -0.18706581     -2.60367278      3.01711610
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  H      2.33957625      0.84912045     -2.07386335
  H     -0.04469794     -2.30459747      1.48284069
  O     -1.05142584     -3.54120801      4.33099031
  H      3.32845724      2.03921020     -2.13239967
  H     -3.35801836     -3.92469378     -0.39882772
  O      0.11742941     -1.95653749      2.36878019
  H     -4.83262814      0.33555559      1.10944462
  H     -2.07019986     -3.17826210      0.01446227
  O     -3.01141955     -3.29243778      0.22653325
  H     -5.00085487      1.49597409      2.11595620
  H     -2.88268743     -0.27316749      1.07376017
  O     -3.32773912     -0.45162092      0.22856983
  H     -5.39223183     -0.55328095      3.07226171
  H     -3.38847025     -1.41126493      0.15657333
          69
 Energy    -251.36961828316015     
  O      1.82824353      0.65731522      2.81240951
  H      1.13997741      0.99562783      3.41129435
  H     -4.45656010      2.39971732      2.78498927
  O     -4.03553842      1.13221237     -2.76761984
  H      2.66596831      0.94384374      3.16927230
  H     -1.43193683     -1.47112840      5.01272403
  O      1.06314557     -2.11316872      2.66358689
  H     -3.32295606      0.61021478     -3.15798975
  H     -1.65154970     -1.26219460      3.51053402
  O     -5.86381594     -0.72533978     -2.00872271
  H     -3.61527893      1.68484565     -2.09617983
  H     -1.55266210      3.84305194      2.62442516
  O     -1.94422768     -0.68255051     -3.51172405
  H      0.34027767     -2.16586087      3.30144216
  H     -2.70535399      3.49383649      3.60549261
  O     -0.55859861      0.39546850     -1.31216212
  H      1.41176661     -1.21458331      2.73304270
  H     -3.62836154      1.75102280      0.62038089
  O     -4.06782025      0.50299152      5.15113242
  H     -6.66210557     -0.64559995     -2.52331578
  H     -4.55505779      0.59617338      1.12573412
  O     -3.23740477     -3.72922457      3.17823769
  H     -5.27450019     -0.00101020     -2.28682119
  H     -2.64774656      0.61365016      2.15122541
  O     -0.26401796      1.52588417      4.32439383
  H     -2.47399039     -1.38299998     -3.08980590
  H     -1.32827246      0.75857729      2.97386167
  O     -2.52497996      2.29004153     -0.68436681
  H     -1.66720269     -1.02033231     -4.35912145
  H     -4.43987294     -2.01467021     -2.24053062
  O     -5.06387108     -1.49443123      3.48774147
  H     -0.54400207     -0.35636932     -0.70047446
  H     -3.40514518     -2.77202165     -1.38396634
  O     -4.50167980      2.89753035      3.62063707
  H     -0.90833082      0.05848202     -2.14578073
  H      0.53417012      1.47322233     -0.18676695
  O     -1.41414854     -1.93514492      4.16760989
  H     -4.46309687     -0.18944656      4.60084844
  H      1.22473371      1.52617583      1.20423197
  O     -1.75285295      3.63690741      3.54613986
  H     -4.26561951      1.34440671      4.72680810
  H     -2.56591841      0.17878186      5.88132922
  O     -4.12697435      1.42458086      1.38216712
  H     -2.54262227     -3.18725935      3.58926537
  H     -1.73059334      0.00904221      7.17527889
  O     -1.82915007      0.16922875      2.39715302
  H     -3.21695597     -4.57841316      3.61219959
  H     -0.24637428      3.38200273      0.75374279
  O     -3.58730368     -2.46519107     -2.28154331
  H     -0.74137542      2.35582803      4.16433367
  H     -0.55788081      4.88598512      0.56488536
  O      0.85530078      2.07135254      0.50030731
  H     -0.68267447      1.06705916      5.06285688
  H     -1.09992252     -0.85714238      1.17953048
  O     -1.67338718     -0.01993268      6.22477149
  H     -2.07183826      3.01590769     -0.23834881
  H      0.03512730     -1.89531656      1.15766039
  O     -0.94458529      4.05782341      0.83802571
  H     -1.84858664      1.62464970     -0.88012907
  H     -2.19690851     -2.48236074      0.45802594
  O     -0.67929486     -1.53018509      0.61911190
  H     -4.55710180     -2.31407885      3.46788018
  H     -3.16277798     -3.32330100      1.32660672
  O     -3.07542832     -2.89060456      0.46898957
  H     -5.28772200     -1.31338073      2.56666415
  H     -5.53967893     -0.93088261     -0.19896923
  O     -5.15258995     -1.02234664      0.68037175
  H     -5.31623439      3.39328844      3.60309122
  H     -4.42498740     -1.65560637      0.59674982
          69
 Energy    -251.36931819341152     
  O     10.38855173     13.32681800    -12.02024824
  H     10.07226103     12.47547085    -11.69436804
  H     13.84381149     12.54108303    -13.03035785
  O     14.06413704      7.98342371    -16.49652072
  H     10.57272793     13.20221522    -12.95935924
  H     16.92761454     10.58373581    -12.12627951
  O     11.62194961     10.05222311    -13.09095843
  H     13.96961547      7.16523553    -16.97601111
  H     16.09751537      9.34815180    -12.56122433
  O     15.26182853      8.87385359    -14.13224064
  H     13.16929317      8.25813694    -16.22573576
  H     14.27379582     14.54143282    -12.59997573
  O     13.10836998     12.37107999     -9.36016512
  H     12.40927601     10.42025732    -12.65742477
  H     13.65838879     15.03968729    -11.28484343
  O     14.42617518     10.75396966    -17.20149988
  H     10.87878776     10.16889088    -12.48352153
  H     12.56562147      8.42915163    -12.57875985
  O     13.38617498      8.05368545     -9.58154287
  H     15.38813725      9.80167835    -14.37957861
  H     14.02507897      8.12744493    -12.91158983
  O     13.78349663     11.21931395    -11.81927661
  H     14.95723779      8.43004714    -14.93301268
  H     17.36301310     12.62719268    -12.20222659
  O     11.46932340     10.13501649     -9.25012093
  H     12.76876484     13.24271727     -9.60030372
  H     18.67386823     12.27944424    -12.94945391
  O     16.60612906     13.47751795    -10.93621457
  H     13.97976787     12.47826239     -8.95766367
  H     11.34295849     12.24965662    -15.52799614
  O      9.69608155     10.66304156    -11.19009086
  H     15.00308145     11.09405810    -16.50458318
  H     11.32592930     11.61037105    -14.12457587
  O     13.81773247     13.15874762    -13.77899352
  H     14.42510719      9.79425041    -17.10090926
  H     16.17490867     12.44780593     -7.60865031
  O     16.34247708      9.88831165    -11.79842996
  H     13.40222793      7.95530708    -10.54917072
  H     15.75164751     11.35812926     -8.62503696
  O     14.48110370     15.02174961    -11.78673712
  H     13.32163556      7.17255335     -9.22106332
  H     16.55102094     11.75530063    -14.32650980
  O     13.31061848      7.87911840    -12.31111563
  H     14.63581402     10.77532780    -11.74448670
  H     15.09230262     12.18368315    -14.58294865
  O     17.74957723     12.05475341    -12.89191264
  H     13.56625535     11.59635387    -10.95677041
  H     11.53542808     11.74544938    -18.03673131
  O     11.23143642     12.45273861    -14.59028894
  H     12.08365795      9.39335951     -9.30437335
  H     12.76854411     11.31132537    -17.21008779
  O     15.73884555     12.31674626     -8.44603547
  H     12.01344134     10.92950903     -9.15234160
  H     16.03997472      9.68849556    -10.02627801
  O     15.77506832     11.55633905    -14.86390322
  H     15.90190941     14.09209033    -11.19123980
  H     14.89146554      9.14531464     -9.16107101
  O     11.81448958     11.50129225    -17.15842012
  H     16.36934527     13.12653021    -10.07171081
  H     11.40589549     14.27627246    -10.97638829
  O     15.67121791      9.71130133     -9.13101444
  H      8.82534082     10.35428995    -10.95618897
  H     11.50964342     15.45687592     -9.98274885
  O     12.00463486     14.73424927    -10.35944594
  H     10.28374393     10.45703947    -10.43935385
  H     11.56397379      9.81217232    -16.27089737
  O     11.66070857      9.00822804    -15.74476788
  H     12.93196916     13.08457869    -14.15303444
  H     11.60294417      9.28521735    -14.82198794
          69
 Energy    -251.36611316573340     
  O     11.21929174      9.00337399    -15.61401477
  H     10.98946673      8.40597768    -14.89227130
  H     18.19131380      9.80473819    -15.41731580
  O     16.38161378      6.56478174    -13.75061059
  H     11.37243585      9.87488127    -15.22820295
  H     14.55369902     11.51702066    -16.57684581
  O     15.86930939     10.60825364    -11.58380478
  H     16.88577947      7.23742300    -13.27120554
  H     15.10099068     11.98645617    -15.19990990
  O     16.52273923     11.88307737    -14.05050531
  H     15.72362078      6.19672174    -13.14558030
  H     14.23317398      8.42808860    -15.49012643
  O     14.05412524      5.57184824    -16.94574040
  H     15.83366345     10.41971700    -10.63843787
  H     15.22530645      7.82677322    -14.42862013
  O     13.82020468      7.74383046     -9.11495317
  H     14.97711332     10.46041508    -11.93181030
  H     11.37220407      6.37223459    -13.97219321
  O     14.31294302      5.71749726    -12.14006706
  H     16.32614310     11.60758621    -13.14603224
  H      9.87785474      6.52881762    -13.60149180
  O     13.47482962     10.03500996    -12.79186828
  H     17.34938850     11.44349609    -14.27521874
  H     16.95201563      8.31373348     -9.51051684
  O     15.59243144      5.53707812     -9.66234556
  H     14.99156676      5.81027663    -16.83178350
  H     17.65538936      7.87344037    -10.80711003
  O     16.86079551      9.26374638    -16.45824199
  H     14.02838221      4.84737171    -17.56541568
  H     13.18667307      5.36697052    -15.25731073
  O     16.60191265      6.37868170    -16.49343082
  H     13.23122320      7.76859064     -9.88109759
  H     13.31912832      5.28532298    -13.70872535
  O     18.76419718     10.12115444    -14.69781227
  H     14.31628762      6.91925731     -9.18668857
  H     18.19658081      9.12710123    -13.19093621
  O     14.31724332     11.98379504    -15.76937896
  H     13.70289997      6.44607417    -11.95395562
  H     17.02482238      9.34557025    -12.20772926
  O     14.77198804      8.63062324    -14.71493682
  H     14.73433091      5.49676175    -11.29991018
  H     15.68603362     10.09958330     -8.08025260
  O     10.70647132      6.99982585    -13.63501725
  H     13.95568618      9.56221570    -13.49214779
  H     14.98359063      9.03766520     -8.95988929
  O     17.38166991      7.56058000     -9.93548153
  H     12.87851596     10.64469595    -13.24094809
  H     14.61757638     10.57303111    -18.98825637
  O     12.68468768      5.33996288    -14.43504384
  H     16.29538077      6.20341644     -9.76908097
  H     14.27964973      9.60029706    -17.83396191
  O     17.67218830      8.69056781    -12.50951836
  H     15.94567830      4.85104404     -9.10285486
  H     11.75792622      7.51281636    -12.16605587
  O     15.72035128      9.67450911     -8.93282079
  H     16.38321199      9.69132372    -17.17900268
  H     12.81865500      8.61215233    -11.94639992
  O     14.86684190     10.32972368    -18.10080278
  H     16.20341333      9.16175754    -15.75236654
  H     12.78811172     11.75493605    -15.02615114
  O     12.48623839      7.77470682    -11.59032770
  H     16.80978088      7.30311383    -16.67068677
  H     11.46228713     12.37728784    -14.52434848
  O     11.95341831     11.56144330    -14.55872995
  H     16.66100570      6.28519470    -15.53029571
  H     13.44068359      7.32553691    -17.17283793
  O     13.33484450      8.28301709    -17.12898312
  H     19.61421946     10.31212818    -15.08557243
  H     12.50162268      8.49269022    -16.67594161
          69
 Energy    -251.36475384838357     
  O     11.27880913      8.85355375    -14.90864654
  H     11.43888217      9.80395442    -14.91237870
  H     17.01257189      6.51103884    -14.85843857
  O     16.83067069      7.50441905    -13.27803011
  H     11.91270872      8.47577985    -15.53499841
  H     14.34902363     10.90228482    -17.26572711
  O     16.29692492     11.61879938    -12.23356940
  H     17.48676893      8.14987858    -12.99029564
  H     14.95952563     11.77687748    -16.16275702
  O     16.42380394     11.40329044    -15.01363842
  H     16.16377295      8.01419214    -13.76741802
  H     14.38582394      8.67495064    -15.15563710
  O     14.17125261      5.30908055    -15.78751543
  H     16.40543794     11.73707396    -11.28223687
  H     14.45339786      9.57753609    -13.88020983
  O     14.56414907      9.59999289     -9.00052370
  H     15.37206921     11.35586727    -12.36048914
  H     11.08150756      7.88324503    -13.50477119
  O     15.04278624      6.73029212    -11.35254593
  H     16.43212066     11.72807458    -14.10334798
  H     10.14036167      7.06162349    -12.58978542
  O     13.71548554     10.77477869    -12.70403154
  H     15.97898064     10.54012953    -14.97738155
  H     17.68837197     10.08629283     -9.64515330
  O     17.31207682      8.58331831    -17.13004452
  H     13.93971368      4.43428292    -16.08797063
  H     18.40083999      9.33911965    -10.78616745
  O     16.37823468      7.38268348     -8.96551984
  H     13.86352572      5.37842317    -14.86538104
  H     12.47854001      6.11431397    -13.07987307
  O     18.90957125     10.31574139    -15.39959530
  H     13.88664306      9.35013918     -9.64080852
  H     13.90090770      5.85028932    -12.54643155
  O     16.89763630      6.21674705    -15.77225040
  H     15.09736805      8.80699115     -8.85945135
  H     18.74564364      9.88630704    -13.51902076
  O     14.14458663     11.62410744    -16.65885796
  H     15.71480361      6.94935402    -12.01601869
  H     17.66808582     10.37296863    -12.51827027
  O     14.98262144      9.07501555    -14.51284225
  H     15.47560547      6.80374060    -10.49395813
  H     16.41468252     12.16565057     -8.72306875
  O     11.04799592      7.32944510    -12.70332722
  H     13.04491270     11.09472528    -13.31967774
  H     15.70531098     10.90017674     -9.26144174
  O     18.13092727      9.25607663     -9.86278874
  H     13.33951792     10.08525283    -12.13811095
  H     15.83898802      9.10459425    -17.84597668
  O     13.28459523      5.61364153    -13.25169433
  H     17.21207945      7.71366849    -16.71259731
  H     15.07086136      9.34105753    -19.16727147
  O     18.38958489      9.73707405    -12.63536727
  H     17.95938469      9.06341778    -16.60609406
  H     13.72358548      7.98271470    -11.24514940
  O     16.43242425     11.52664073     -9.43022746
  H     16.76826557      6.87584237     -8.25861604
  H     12.22764861      8.20375146    -11.56879792
  O     14.97351622      9.35533381    -18.21900815
  H     17.06880982      7.98748064     -9.29194675
  H     12.79428210     11.60425214    -15.54006732
  O     12.99695695      8.61857857    -11.15963456
  H     18.07236194     10.80944638    -15.35507145
  H     11.55142117     12.34931116    -15.00256759
  O     12.09453119     11.57798504    -14.86321517
  H     19.55300406     10.90149198    -15.79191877
  H     13.86187437      8.29563981    -17.18442282
  O     13.35471502      7.88951925    -16.46975348
  H     16.01585338      5.82873600    -15.81087480
  H     13.63894631      6.97109226    -16.36866261
          69
 Energy    -251.36283948150631     
  O     12.33282665      9.55425815    -15.61830296
  H     12.94208082     10.23012030    -15.93283768
  H     16.30056745      5.52807857    -12.80502888
  O     16.26271389      7.06194430    -11.97295582
  H     12.70646802      8.70521831    -15.89729073
  H     20.54209389      7.50606869    -14.39998005
  O     17.57154183     11.32710266    -12.72268257
  H     17.04137558      7.62873355    -11.88404254
  H     19.03330012      7.27531348    -14.64477671
  O     16.55587485      9.62096910    -16.36142070
  H     15.57744611      7.40014942    -11.37995745
  H     14.48417855     12.07056826    -17.08379921
  O     13.59830006      5.25764016    -14.25341436
  H     17.57152151     11.79489105    -11.87813880
  H     15.20145726     10.82774122    -16.51030088
  O     14.84933724     11.61073589     -9.38967481
  H     16.65874668     11.34019288    -13.04329109
  H     14.65579735      8.00249111    -14.69741378
  O     14.29100008      8.17118768    -10.41298615
  H     17.40346680      9.99445374    -16.07950663
  H     15.61890859      7.93580631    -13.46729582
  O     14.94920770     11.14326836    -13.62361023
  H     16.18234570      9.19036337    -15.57592519
  H     11.67591826      9.43274329    -14.00582487
  O     16.22600008      7.14407352    -17.49892125
  H     14.47409943      4.97305421    -13.97153541
  H     10.39002148      9.38850125    -13.15092838
  O     15.61892750      9.13593481     -8.14519314
  H     13.19763455      5.72346254    -13.50278740
  H     17.92880210     10.66471717     -9.50596509
  O     17.84991097      6.19003518    -15.31485337
  H     14.99709362     10.82368145     -8.85076547
  H     18.26970601      9.29172724    -10.11221745
  O     16.30686755      4.75934648    -13.40267175
  H     14.19765927     11.35885604    -10.05690621
  H     13.08038843      7.14919055    -11.49649393
  O     19.68044910      7.88573500    -14.24879189
  H     13.96393900      9.00000265    -10.79074808
  H     12.07155144      7.62063949    -12.55213508
  O     14.43393662     11.41234582    -16.39536344
  H     14.68057599      8.39366612     -9.55858423
  H     19.22418079      9.64277063    -14.87083195
  O     15.29717420      8.50233437    -14.17662007
  H     14.71068620     11.49092339    -14.48962767
  H     18.51902351     10.90585441    -14.33098324
  O     11.34018268      9.32306429    -13.09859401
  H     15.00892241     10.17976677    -13.74065722
  H     18.09503862      9.66098981    -12.21210562
  O     18.00875181      9.72693138     -9.29036672
  H     16.43939193      7.06440239    -18.42539415
  H     18.94776564      8.43976990    -12.64008949
  O     12.54459739      6.84132253    -12.23691344
  H     16.39957137      8.06729167    -17.24766584
  H     17.55404229     13.23251438     -9.74042714
  O     18.83357843     10.48356522    -15.14134053
  H     16.51138184      9.27945160     -8.50870935
  H     16.42170532     12.18806613     -9.88638703
  O     18.40517479      8.79003720    -11.92264960
  H     15.72876372      8.88188695     -7.23317394
  H     12.51592675     10.20181271    -11.94886648
  O     17.34222623     12.39016396    -10.13346976
  H     17.29454103      6.40664197    -16.07186136
  H     13.86697977     10.89552205    -12.20325561
  O     13.29143078     10.56197717    -11.49976722
  H     17.32425085      5.62138848    -14.73851771
  H     14.47583694      7.04566257    -16.68037805
  O     13.71741446      7.20121260    -16.10764234
  H     16.54708719      4.00191404    -12.87480041
  H     13.59914513      6.41643802    -15.54681604
          69
 Energy    -251.36056265030396     
  O     10.39729129     13.17650054    -10.29358915
  H     11.19375087     13.70396691    -10.16620797
  H     12.37210527     12.56568423    -12.52806056
  O     12.41689214      8.89604653    -16.58616046
  H     10.34917818     12.98506097    -11.24006592
  H     16.87848525      8.97988807    -11.61615742
  O     10.39510866      8.84418108    -10.39747625
  H     12.32634093      8.27879105    -17.30638341
  H     16.71406806      8.33908793    -10.22231466
  O     13.31548780      8.93193990    -13.92624237
  H     11.51798842      9.18410689    -16.34351398
  H     13.71180900      8.02144792    -12.42920889
  O     14.22977048     12.91807063     -8.17266858
  H     10.97477444      8.19690403     -9.98035851
  H     14.89592226      7.79505440    -11.43155931
  O     13.30287224     11.60662164    -16.24155853
  H     10.23281249      9.54024779     -9.74999771
  H     13.18236819     15.35343710    -10.52304353
  O     10.74527735      9.67223374    -12.97924618
  H     13.90158865      9.70164877    -13.92350502
  H     13.19106480     13.87130313    -10.96496805
  O     14.08659247      8.30528339     -7.75269441
  H     13.07140621      8.77047486    -14.84566164
  H     12.90193204      7.11282936    -10.27462354
  O     13.59994946     10.40504601    -10.54865085
  H     13.83325855     13.53512273     -8.80074691
  H     12.12996398      5.96891289     -9.57606214
  O     12.66764026     10.66819536     -7.92686802
  H     15.00656385     12.54942705     -8.61031481
  H     16.84868256     11.11974039    -11.33344072
  O      9.99789105     11.07824036     -8.63171390
  H     13.97474411     11.55898067    -15.54979649
  H     18.03747601     11.18744211    -12.31798028
  O     13.27249613     12.56036790    -12.17363607
  H     13.11372653     10.69307694    -16.49059150
  H     10.61862878     12.64090026    -13.93970417
  O     16.60921498      8.17012006    -11.16807798
  H     10.57530502      9.33333313    -12.08806763
  H     10.61285221     11.44974187    -12.94600320
  O     13.93166854      7.76415074    -11.52368865
  H     11.63976192      9.40876759    -13.22947765
  H     16.39567220     10.57490900     -9.15325946
  O     12.99406077     14.46761305    -10.22274678
  H     13.50587295      7.71685417     -8.24856297
  H     15.21115965     11.01731838    -10.02919383
  O     12.33393922      6.89874820     -9.51285415
  H     13.58707421      9.12815243     -7.64736580
  H     14.38567532     11.81031070    -13.36472293
  O     17.15496648     10.83946624    -12.21214556
  H     13.66722201      9.49083210    -10.84633582
  H     15.74739994     11.08245775    -13.46190614
  O     10.64669944     12.41796628    -13.00152198
  H     13.18028478     10.41042195     -9.67790869
  H     10.64138843     13.33923503    -16.44946863
  O     16.08182319     11.30169827     -9.70828344
  H     11.72658028     10.85123161     -8.03420872
  H     11.74391383     12.37023836    -15.96167108
  O     14.91954544     11.23346863    -13.93217644
  H     13.14542576     11.51001034     -7.87487713
  H     17.21448022      8.58822497     -7.69094981
  O     10.83645911     12.67922288    -15.78974533
  H      9.19517377     11.21909801     -8.13683502
  H     15.73682766      8.63786867     -8.14206469
  O     16.64593431      8.87889731     -8.39856516
  H     10.10001719     11.84435718     -9.22429949
  H     10.14518070     10.85435892    -15.79309322
  O     10.06016223      9.89851136    -15.69219981
  H     13.33982574     11.78714292    -11.58953582
  H     10.10420675      9.73141130    -14.73976201
          69
 Energy    -251.35522778657878     
  O     14.89705654     12.33972646    -11.92425952
  H     15.76694704     11.92286376    -11.90774604
  H     11.74947749     10.97352742    -10.09082646
  O     18.02878844      8.10500794     -8.91887184
  H     14.66464099     12.47263128    -10.99676827
  H     14.55539004      9.28296814    -14.40169830
  O     17.09298008      6.71149113    -12.19181108
  H     17.47886899      8.88495719     -8.76783131
  H     13.39779163     10.24586358    -14.68248280
  O     14.48875713      4.41194035    -10.85704721
  H     18.53569332      8.29347759     -9.71736543
  H     18.44786252      7.86111516    -11.89119447
  O     17.15333754     10.68371981    -11.45479675
  H     16.73760451      6.59428054    -11.30004171
  H     19.89940361      8.38184997    -11.98378688
  O     14.37419222     12.46596107     -9.11920607
  H     16.53744678      6.17574075    -12.77870501
  H     16.81319556      6.78449796     -9.25574646
  O     10.24205169      7.48116019     -9.89320033
  H     14.70275810      3.52535811    -10.57669823
  H     15.28240489      6.89566312     -9.29883017
  O     16.04834097     10.20048072     -8.93778713
  H     15.06892422      5.00775469    -10.35515152
  H     10.71644747      9.90861195    -12.12542280
  O     13.37036569      8.40876786    -11.53504300
  H     17.92760623     10.11554599    -11.54654226
  H     11.83010909     10.94127657    -12.54662349
  O     12.16321192      5.94594319    -11.21383597
  H     16.79555408     10.51519316    -10.56964481
  H     11.53598528      6.65163007    -14.18196226
  O     13.14010394      6.78274244    -15.13644452
  H     13.50631191     12.02205635     -9.10304887
  H     11.18477246      6.16408016    -12.77123490
  O     12.01438443     11.18108792     -9.18388393
  H     14.28798962     13.25951316     -8.59809777
  H      9.89519226      7.90144284    -12.92477522
  O     13.78457595      9.41422359    -14.97479732
  H     10.84519596      6.81322731    -10.24942891
  H      8.54822226      8.64771134    -12.77721957
  O     19.05001797      8.56220768    -11.58905683
  H      9.85074348      7.91191301    -10.66054718
  H     11.01929994      8.26451352     -8.55634850
  O     16.02039762      6.34086419     -9.59094082
  H     15.56602827     11.03502329     -8.87942851
  H     11.08259935      8.52748901     -7.03329624
  O     11.47272361     10.42313603    -11.81395988
  H     15.37658026      9.50655502     -8.87277415
  H     14.73844205      4.99428568    -12.75084712
  O     10.80127578      6.56870768    -13.56174918
  H     14.12871815      8.60962410    -12.09656147
  H     14.41335414      5.83373375    -14.01737272
  O      9.44535183      8.62772889    -12.45578428
  H     12.71962569      9.11392504    -11.64678010
  H     13.64671327     12.04434152    -13.10937630
  O     11.53540954      8.70028408     -7.85404174
  H     12.60829277      6.79144771    -11.38817948
  H     12.75006251     12.67023012    -14.20083013
  O     15.12701560      5.40108095    -13.53391441
  H     12.85762338      5.30821903    -11.01871414
  H     13.83974951      8.32713852     -9.84698806
  O     12.91387472     11.86024705    -13.72487863
  H     13.32349202      7.73832059    -15.11022292
  H     13.29006397      8.31504658     -8.40239656
  O     14.09614431      8.20637715     -8.91873788
  H     13.19560106      6.52342613    -16.05338572
  H     16.12208343      9.65063492    -12.53488204
  O     15.65743002      8.95730540    -13.02046613
  H     11.81545246     10.39780083     -8.65848237
  H     16.13726491      8.13888880    -12.84419724
          69
 Energy    -251.35163499642022     
  O     14.65599220     12.33114991    -12.37213387
  H     15.37128950     12.36627295    -13.01849994
  H     17.82950346     11.54253762    -12.66507386
  O     15.27184267      6.32323204    -14.30335997
  H     15.06502968     12.06638514    -11.53992366
  H     17.15312643      8.54396795    -12.74124812
  O     15.88324516      6.24850552    -10.07627928
  H     15.47795360      5.56460104    -13.74316482
  H     15.73913575      8.67925614    -12.11458132
  O     18.92666808      8.54156827    -12.32405293
  H     15.61983999      7.09478583    -13.82856023
  H     11.58502682     12.02361828    -12.99574457
  O     11.66738130      6.50881055    -10.42044701
  H     15.57348804      7.16004986    -10.18543486
  H     13.08906153     11.72472883    -12.78617099
  O     12.66628089      7.17477314    -14.00157925
  H     15.15931488      5.76778859     -9.65514253
  H     13.47758997      3.91526798    -10.76883544
  O     14.96713195      8.81200693    -10.48438684
  H     18.90852551      7.89415917    -11.60678766
  H     14.35034166      3.74792433    -12.02156180
  O     17.08919445      7.53959171    -16.06624840
  H     19.19702105      8.07557072    -13.12741950
  H     12.78216243      8.81888560    -14.97473044
  O     11.38586226      4.95922842    -12.81234586
  H     11.87009736      7.39409283    -10.74854574
  H     12.67501290     10.30264365    -14.57957640
  O     19.35464874      7.04326902    -14.64913438
  H     11.41520521      5.99532391    -11.19857135
  H     17.66403712      6.40064030    -10.20611542
  O     18.69720414      4.92316097    -12.79461288
  H     13.55379745      6.83396380    -14.18679755
  H     19.06714577      6.32059605     -9.56575513
  O     18.15137818     11.20672818    -11.81875428
  H     12.14005951      6.42096879    -13.70900888
  H     15.93924861      5.12302332    -11.59885737
  O     16.20934352      8.52950996    -12.94291758
  H     15.27884442      9.69441364    -10.24734526
  H     16.95174642      4.47880386    -12.57318296
  O     12.22900835     11.32079173    -13.00039928
  H     14.07253232      8.88127179    -10.84995014
  H     12.86239847      5.58868873     -9.54467639
  O     13.45451914      3.61108963    -11.68406994
  H     16.70018880      8.42220647    -16.02978488
  H     13.20977037      4.71179081     -8.31839131
  O     13.01118840      9.71167415    -15.26408023
  H     16.42888254      6.95681602    -15.66615293
  H     17.15453873     12.80099188    -14.84375105
  O     18.61276313      6.51594885    -10.38172277
  H     10.71763538      4.35196806    -13.11817369
  H     16.49266546     11.41339698    -14.67570528
  O     16.01273005      4.50678924    -12.34028029
  H     12.12545362      4.41898026    -12.48007153
  H     12.32686881      9.70937362    -12.10006484
  O     13.54437686      5.00779481     -9.16061782
  H     20.08802892      6.94412251    -15.25070778
  H     12.62042262      8.25476832    -12.54114759
  O     16.86392957     12.17042893    -14.19005526
  H     18.56929375      7.22201566    -15.19578313
  H     16.87270657     11.29702771    -10.65648417
  O     12.54073140      8.83012584    -11.76519326
  H     18.81181742      5.39275038    -11.95930185
  H     16.31121487     11.86553922     -9.32966031
  O     16.07732562     11.34701450    -10.09467445
  H     18.92916665      5.55592814    -13.48476292
  H     14.79477599      9.90814643    -15.40567040
  O     15.75190469      9.93739401    -15.26094424
  H     18.55176154     10.34520676    -11.99380353
  H     15.90725538      9.47204326    -14.42385569
          69
 Energy    -251.34880792000803     
  O      1.82645974     -0.42603399      4.38335910
  H      1.51896339     -1.07109704      3.73210183
  H     -2.11362078     -2.40527721      4.37149516
  O      0.52682162      3.27617850      5.88646813
  H      1.33431066      0.38460291      4.20071068
  H      0.02608918      0.96397445      2.07953685
  O     -1.07448358     -4.78070509      7.02044977
  H     -0.37275824      3.18465680      6.22536180
  H      0.21740043      0.98602304      0.54646860
  O     -0.91633386     -1.51580430      9.82805519
  H      1.10633033      3.00893407      6.60965566
  H     -2.73384309      0.51851614      3.75100348
  O      3.38988987     -4.04120162      5.84480047
  H     -0.20830194     -4.44254325      7.28986094
  H     -2.53631042     -0.01002845      5.18901936
  O      0.59968205     -2.04142440      2.47367228
  H     -1.72079649     -4.25692641      7.50624731
  H     -1.90784935     -0.12489825      1.69745903
  O      1.60576540     -4.30035404      3.82880074
  H     -0.86204872     -0.63093780      9.44285271
  H     -2.54716255     -1.28833226      2.48141225
  O      3.87404932     -1.22726581      6.13166452
  H     -0.00308267     -1.78361063      9.98529446
  H     -2.89807252      3.05756595      6.92152528
  O      1.80864294      2.28890822      8.28424788
  H      2.78379504     -4.14446339      5.08882136
  H     -2.35887252      1.97710741      5.95808168
  O      3.14013168     -0.25128710      8.60454822
  H      4.07115172     -4.70005655      5.74164667
  H      0.66559695     -2.00236192      6.94552229
  O      1.87909200     -2.15536930     10.00999849
  H      0.45014969     -1.28399997      1.89546454
  H      0.87715416     -0.93452845      5.82934987
  O     -1.88704126     -2.78947463      3.51281063
  H     -0.26709815     -2.28336908      2.83318480
  H     -1.30911627     -6.21087475      4.23211710
  O     -0.08106889      0.43880879      1.26843440
  H      0.76236684     -4.73223320      4.01189116
  H     -1.06644910     -5.15615317      5.33906559
  O     -2.51591958      0.79615941      4.65223452
  H      1.40092509     -3.57005193      3.23160857
  H     -0.19216776      0.11814710      7.66804892
  O     -2.70217765     -0.38311047      2.17984965
  H      3.29208288     -0.85728674      5.45444226
  H     -1.14585110      1.34688386      7.82107289
  O     -2.13300759      2.52021698      6.73251811
  H      3.82789389     -2.18334767      6.01590452
  H     -2.11373446     -2.46162242      8.96681802
  O      0.29713011     -1.20071732      6.55338780
  H      1.87698905      2.87355933      9.03622811
  H     -3.49864526     -3.14595371      9.00483328
  O     -1.01023185     -5.31772725      4.37937759
  H      0.98838688      1.77941536      8.40059159
  H      2.11330114     -3.75724967      7.13903037
  O     -0.50372792      0.79819937      8.28740509
  H      2.83045429      0.64778187      8.45866254
  H      1.60721324     -3.19455439      8.51616838
  O     -2.76787341     -2.94134840      8.42781650
  H      3.46601541     -0.57359115      7.75025108
  H     -0.81045760      1.30884627      4.06010359
  O      1.32841225     -3.55664411      7.66535993
  H      2.34489260     -1.43880487      9.53901083
  H      0.32273245      2.30951399      4.39291350
  O      0.04797161      1.63347886      3.75635265
  H      2.38759233     -2.34499050     10.79339440
  H     -1.37639428     -1.48711464      6.15284198
  O     -2.32957064     -1.58974541      5.99734365
  H     -1.68439494     -3.71704889      3.68853224
  H     -2.67434345     -2.03400027      6.77931474
          69
 Ord_Energy   -251.346909    
 O   0.327664703      -4.51600409      -4.52136803    
 H   0.815380216      -5.25210810      -4.13080263    
 H   0.871345580      -3.73175669      -4.36573601    
 O    5.79528284      -1.11582518       1.93024647    
 H    6.00826836     -0.358688325       1.37217402    
 H    4.93498373     -0.926615000       2.32924581    
 O    5.95320940      -3.64552784      0.996120393    
 H    5.95234203      -2.73747444       1.34997988    
 H    6.53595114      -4.15601206       1.55138719    
 O  -0.178019807      -2.29396367      -1.68669605    
 H   0.561862826      -2.31248903      -2.31284332    
 H  -0.874016106      -2.84530830      -2.06245899    
 O    6.03826475      -3.22061443      -1.85014343    
 H    5.28892422      -3.73594880      -2.17813492    
 H    6.12669182      -3.44066739     -0.914047480    
 O   -1.82049990      -4.24626112      -2.87905908    
 H   -2.66274595      -4.28868294      -3.32278919    
 H   -1.13323903      -4.35530996      -3.56145597    
 O   0.523131907      0.236047670     -0.832856417    
 H    9.41731185E-02 -0.569649696      -1.14784014    
 H   0.196380287      0.421550035       5.98191991E-02
 O    5.07104540     -0.669754922      -1.80537546    
 H    4.30827856     -0.759776592      -1.21206594    
 H    5.49192762      -1.53943992      -1.87692380    
 O    1.92587066      -2.41483355      -3.49576378    
 H    2.57250047      -3.04916739      -3.15372801    
 H    2.39830232      -1.60575235      -3.72210526    
 O    3.46936679      -7.81062916E-02  -3.94120979    
 H    3.94698215      0.174143791      -4.72786093    
 H    4.13363457     -0.249982476      -3.25181627    
 O    6.20715523       1.00498939       4.00780812E-02
 H    7.02462196       1.40932381     -0.240292445    
 H    5.89732075      0.456140578     -0.700324535    
 O    2.39167237       1.87703633      -2.05573750    
 H    1.62090290       1.41067398      -1.69926417    
 H    2.70165515       1.33500767      -2.78766108    
 O    3.52626371      -4.41354275      -2.39699912    
 H    3.39905334      -4.23879147      -1.45225084    
 H    2.99928856      -5.19429064      -2.60700393    
 O    2.93121648     -0.997494340     -0.103925958    
 H    3.07415462     -0.747541189      0.818059981    
 H    2.12621903     -0.552953362     -0.398321807    
 O   0.692517996      -1.96895468       2.86537242    
 H   0.582258344      -2.57407975       2.11405587    
 H   0.268657088      -2.38571787       3.61201453    
 O    3.15310073     -0.558504939       2.66369915    
 H    2.88878846      0.367767960       2.75418091    
 H    2.36964989      -1.09621143       2.83536506    
 O    3.25364184      -3.69131541      0.258104831    
 H    3.13251972      -2.74154782       9.50424895E-02
 H    4.14401865      -3.79759669      0.614321172    
 O    1.67066860      -6.46467543      -2.88894439    
 H    1.01288879      -6.29164886      -2.19187617    
 H    1.72943592      -7.41162014      -2.98322344    
 O    3.70451832       2.40837097      0.333165050    
 H    3.27834845       2.29459500     -0.529436886    
 H    4.58185720       2.01823592      0.263760030    
 O    2.26480293       2.08096814       2.56780577    
 H    2.76418257       2.25986385       1.74881566    
 H    2.31509495       2.87076354       3.09846950    
 O   -7.02146888E-02  0.617600441       1.81548405    
 H   0.641219139       1.19892550       2.11478949    
 H    8.86045396E-02 -0.237367764       2.23277473    
 O  -0.245173544      -5.80666971      -1.06465816    
 H  -0.912930965      -5.35814667      -1.59963202    
 H   -3.16194817E-02  -5.20011568     -0.345837444    
 O   0.542798996      -3.63680077      0.661416769    
 H    1.49594176      -3.79558372      0.581765234    
 H   0.278497517      -3.12077594     -0.114999413    
          69
 Energy    -251.34648361646322     
  O     19.90612063     12.84117944    -19.55317055
  H     20.33727577     13.60410747    -19.12869082
  H     16.73347949     13.00783467    -18.95731254
  O     16.71606850     17.26664441    -14.31618850
  H     20.34724336     12.70703134    -20.38786629
  H     19.53755666     19.30204838    -14.95019968
  O     22.23069087     14.49432867    -15.73643852
  H     17.52283578     17.70678248    -14.60883335
  H     19.90144917     17.80977642    -14.76779092
  O     16.15094523     13.06777821    -13.31528385
  H     16.16553300     17.12810788    -15.09679872
  H     15.49780505     10.07524103    -14.32643412
  O     16.27962943     11.87273200    -17.48766135
  H     23.11813590     14.18704278    -15.56681352
  H     15.73974318     11.23027610    -13.31862881
  O     18.32120679      9.41824997    -13.14357252
  H     21.64219640     13.73122017    -15.60477699
  H     21.46198605     15.95992655    -14.73339406
  O     15.43985890      9.52643676    -16.16578566
  H     15.95596165     13.35583339    -14.21942806
  H     20.47464459     16.03891517    -13.55302702
  O     21.03563358     14.95820696    -18.29676272
  H     16.18295507     13.87521082    -12.78881017
  H     18.78872508     11.20830842    -13.05483615
  O     19.08971200     16.74013181    -17.38307259
  H     15.85722644     11.09513123    -17.10469211
  H     17.90042663     12.45518875    -13.26478369
  O     16.56578779     15.63801695    -12.17254652
  H     16.05143367     12.62722029    -16.92507861
  H     18.34880396      9.10605047    -15.06661143
  O     20.36750262     12.50522346    -15.46260269
  H     18.41236071      8.71287330    -12.50864565
  H     18.56320385      9.64822980    -16.50788102
  O     17.13048892     13.68425424    -19.51972245
  H     17.37463741      9.65231291    -13.17296866
  H     14.24029861     17.04813297    -16.81267977
  O     19.22570740     18.41726385    -15.12004155
  H     14.93302432      8.79193682    -16.50206842
  H     15.59736935     16.54986758    -17.36708153
  O     15.76288405     10.26933176    -13.41862864
  H     16.37090729      9.23855380    -16.13931415
  H     18.35571837     15.20633238    -12.46135807
  O     20.98525456     16.58133508    -14.17103000
  H     21.55220624     14.84966870    -17.49012469
  H     19.22413775     13.96164677    -12.78552043
  O     18.82015468     12.16569389    -13.17347236
  H     20.42420844     15.68627851    -18.12069226
  H     19.37046656     11.66556900    -18.23559512
  O     18.09655685      8.97972439    -15.98918077
  H     19.17438142     17.48471948    -16.77743241
  H     18.04903642     11.46840256    -17.45452598
  O     15.05976436     16.63486491    -16.55682684
  H     18.87891301     15.98049238    -16.81715090
  H     18.71692123     14.93548510    -14.71466604
  O     19.20449187     14.92673047    -12.82777400
  H     16.56434541     16.24878682    -12.93306249
  H     19.16706732     13.90838921    -15.76539784
  O     18.98940790     11.23488148    -17.45922935
  H     16.18341258     16.11077788    -11.43846587
  H     17.52555135     16.56009662    -18.37339333
  O     18.56711039     14.65056958    -15.62458677
  H     19.95815463     11.97533562    -16.16156845
  H     16.75675435     15.40039490    -19.04550010
  O     16.64967126     16.28974507    -18.67816260
  H     19.89008232     12.32492058    -14.64098161
  H     16.84387407     14.28540444    -15.83509473
  O     15.90010079     14.05954909    -15.86308805
  H     18.05528197     13.43117400    -19.61853702
  H     15.43802273     14.87297025    -16.09560066
          69
 Energy    -251.34609581259696     
  O      0.03873579      4.70894450      3.35829837
  H     -0.56181358      4.06089070      3.76162379
  H     -5.81410582      0.22478785      3.56596428
  O     -1.49994429      2.60985776      4.32822035
  H     -0.05754294      5.51716245      3.85680235
  H     -3.41326221     -0.54767579      3.02167103
  O     -0.06096380     -1.44087369      3.76932548
  H     -0.94740083      2.05188103      4.88648195
  H     -2.73910608     -1.54067718      2.03738643
  O     -3.04561220     -2.47156569      0.54034596
  H     -1.47096342      2.18864903      3.45291633
  H     -4.98452346     -0.05627246      1.15571930
  O     -1.23455633      0.77601388     -1.77958663
  H     -0.99101262     -1.30633478      3.52960290
  H     -4.31591665     -1.11858688      0.25654786
  O     -3.93755159      1.67143894     -1.40616666
  H      0.18332234     -0.71206967      4.35108793
  H     -0.04418829     -3.31935482      3.44849180
  O     -4.14141308      2.90747519      3.29088697
  H     -2.86789766     -3.38295678      0.80238716
  H      0.72926541     -4.23945704      2.48253666
  O     -3.00952151      3.23273962      0.73068298
  H     -2.27619863     -2.17591693      0.02863162
  H     -1.40225300     -4.71200117      2.02554430
  O      0.68142185      2.80008279     -1.11025690
  H     -2.12917898      1.12644744     -1.69578677
  H     -2.44112371     -5.79863777      1.66207280
  O     -0.73958212     -1.68116786     -0.71682913
  H     -0.62934050      1.50651272     -1.60741424
  H     -0.81848194     -4.73327509     -0.10540698
  O     -1.35245315      1.37453192      1.88066689
  H     -4.54973423      1.77310243     -2.12993553
  H     -0.32825768     -3.50567163     -0.89606701
  O     -5.02951357      0.35591336      3.04037948
  H     -4.28360327      0.95312323     -0.84607701
  H      1.01156520      0.83502105      6.16329110
  O     -2.57168223     -0.96255285      2.79530418
  H     -3.87231353      3.17849512      2.40157090
  H      1.09784232      1.42970665      4.73824727
  O     -4.81751067     -0.29280698      0.23591854
  H     -3.33961832      2.91814310      3.82829402
  H      1.43030888      3.35320783      3.52036157
  O     -0.05928677     -4.19295863      3.03776824
  H     -3.41545355      2.84429990     -0.05345988
  H      1.82273694      2.09412649      2.72706405
  O     -2.07126593     -4.97101151      1.36691099
  H     -2.41466024      2.54946638      1.08252256
  H      1.31620125     -4.28642191      0.35870491
  O     -0.09781471     -4.41651731     -0.66363138
  H      1.18911746      3.26384325     -1.77073232
  H      2.76423499     -4.61950605      0.79682085
  O      0.55711126      0.87018728      5.32541378
  H      0.26288647      3.47789508     -0.54936725
  H      0.81474277     -1.41439953      2.16319635
  O      1.87596490      2.50249325      3.60383524
  H     -0.06901123     -1.53252068     -0.03784017
  H      1.64845295     -2.27943360      1.18092574
  O      1.99798491     -4.10374322      1.03081099
  H     -0.89516480     -0.83660336     -1.16514886
  H     -0.29289404      4.67136496      1.46060902
  O      1.22692309     -1.41815726      1.28678498
  H     -0.42613109      1.29408350      1.62348265
  H     -1.47910703      4.27219327      0.55769161
  O     -0.55504554      4.55880194      0.53980034
  H     -1.71093121      0.50038731      2.07758900
  H      1.26107546      1.72401237      0.29309373
  O      1.36098461      1.31162657      1.16001722
  H     -4.77163927      1.28797256      3.14932145
  H      1.46809804      0.35594175      1.05590990
          69
 Energy    -251.34499079805971     
  O     14.66239141     11.93603451    -12.64786188
  H     15.45441600     11.41901363    -12.45421230
  H     10.42957530      4.36888823    -10.98634483
  O     17.52500658      9.95488509     -7.91426158
  H     14.46104263     12.41809673    -11.83618632
  H     13.74235636      5.86033481    -13.99701579
  O     16.74453526      5.86514360    -10.83833833
  H     18.16021061      9.99621074     -8.63891406
  H     15.17571249      6.42657447    -13.81152412
  O     13.40528148      4.66137251    -10.12324504
  H     16.69122601     10.28408319     -8.27948802
  H     11.71270370     11.16823348    -11.28804015
  O     18.88124319      7.07447969     -9.52603438
  H     16.38735915      5.06854071    -11.24811232
  H     11.17641634     10.90118082     -9.86362624
  O     17.27946763      7.37106797     -7.14172966
  H     16.15722568      6.08572879    -10.09993115
  H     19.11639653      8.72372084    -10.06619156
  O     16.70328852     10.21682978    -11.57185269
  H     14.02204142      4.29452435    -10.76927206
  H     20.06938749      9.88239261    -10.44105252
  O     13.81619123     12.94551789    -10.06814123
  H     13.93279640      5.19473738     -9.51665783
  H     14.48366207      7.20194918     -8.72080268
  O      9.92582023      7.78728064    -10.94141596
  H     18.47532516      7.07749626     -8.65079268
  H     15.79296202      6.70100753     -8.05147368
  O     15.19537746     10.65437157     -9.24978648
  H     18.27549731      6.56539504    -10.08212291
  H     13.16225352     10.95492345    -12.92136588
  O     13.49905018      8.00932830    -11.77615135
  H     17.34391091      8.32185138     -7.34586019
  H     12.82734411      9.53954131    -12.40976682
  O     10.95912167      5.14616343    -11.14343990
  H     17.53987532      7.26774365     -6.23044623
  H     11.56590707      5.81145118    -12.76946339
  O     14.67954798      5.62631288    -14.02753586
  H     16.15404285     10.33075763    -10.78240166
  H     11.40813189      7.06370696    -13.68118267
  O     11.50889206     11.59489292    -10.44451298
  H     17.60660450     10.11128107    -11.24794129
  H      9.83119702      9.06523989    -14.28138525
  O     19.15344050      9.67359936    -10.27883646
  H     13.67283362     13.83960503     -9.77120410
  H     11.09328258      9.36357967    -13.44005341
  O     15.09155538      6.45069244     -8.66629941
  H     12.93861385     12.53038571    -10.15385571
  H     10.01584520      9.33522007     -8.19438919
  O     12.43098811     10.33288142    -12.80022490
  H     10.24368951      6.87554479    -10.95163077
  H     10.35336911      8.78889772     -9.60321056
  O     11.99558751      6.32831900    -13.46468238
  H      9.98555388      8.10922666    -11.84823397
  H     15.06038560      4.40817349    -12.84664942
  O     10.42268227      8.68642820    -13.63629801
  H     14.52308270      9.96752624     -9.14576090
  H     15.52345539      2.97823738    -12.47404694
  O     10.67821601      9.35512210     -8.87956817
  H     14.74232349     11.48608657     -9.43615347
  H     13.37071243      8.34550378    -10.06323072
  O     15.28216166      3.82139749    -12.10098114
  H     12.98640247      7.35513408    -12.26442367
  H     12.45986423      8.81777990     -8.89673489
  O     13.36428698      8.56869583     -9.11803175
  H     14.41031937      7.94672890    -12.09500504
  H     16.34831028      8.65322860    -12.44788891
  O     16.05733226      7.77615754    -12.73256013
  H     11.82247419      4.98494241    -10.72136839
  H     16.40976205      7.13981276    -12.09293156
          69
 Energy    -251.34177818508169     
  O     18.12458093     11.23234354    -17.94687036
  H     17.85658269     10.38225646    -18.31207993
  H     16.75428043      6.94068268    -15.39815132
  O     14.64483601      6.05366479    -13.33254938
  H     17.37320135     11.59043501    -17.45720275
  H     17.72920352      6.24291703    -12.38403336
  O     16.90440725     13.44678156    -12.54088227
  H     15.44548751      6.10897951    -12.77584004
  H     16.90362437      7.32075296    -11.62242915
  O     21.06914177      8.20736872    -13.24511360
  H     14.06384855      5.41973212    -12.92198243
  H     21.03016437     10.10014819    -15.98940199
  O     15.33634768      7.68971499    -17.79270797
  H     17.59450787     13.12784965    -13.13779934
  H     20.78117078      8.62647421    -16.37398728
  O     13.84133510     11.50713255    -12.49144734
  H     16.13804037     13.63032788    -13.09781871
  H     18.38009042      8.33583418    -15.97032154
  O     14.45253452      8.89668016    -13.37351742
  H     21.20477285      8.55944091    -14.14422019
  H     18.08299383      8.90820554    -14.55264271
  O     18.59967837     12.19779063    -14.40233242
  H     21.92133836      8.19973335    -12.81837481
  H     16.42323778     10.04005619    -11.10153221
  O     19.23993412      6.01604380    -13.37274440
  H     15.09751613      8.44711222    -17.23919714
  H     15.85938495      9.10916381    -12.20169135
  O     15.30148044      9.71310133    -15.87488818
  H     15.54486060      6.98269044    -17.16918409
  H     16.02206525     12.21278240     -9.75569345
  O     18.77098939      5.16190455    -16.16380700
  H     13.89080334     10.58443039    -12.77327158
  H     16.39009405     12.39033107    -11.24791570
  O     16.27727427      6.12129589    -15.60817560
  H     14.44875071     11.58767791    -11.74585531
  H     19.56061791      9.25337053    -12.97111470
  O     16.89325334      6.40400340    -11.92235879
  H     14.36224631      7.93692246    -13.38430242
  H     18.08531707      9.54472699    -12.48335570
  O     21.25240904      9.19322804    -15.74761181
  H     14.66497758      9.17577357    -14.27651682
  H     13.84083162     14.15235701    -14.24314827
  O     17.68092787      8.49352903    -15.32531257
  H     18.67606799     11.36323652    -13.91497811
  H     14.22042058     12.78557584    -13.62741519
  O     16.58559705      9.21082295    -11.56870140
  H     19.29409551     12.18444383    -15.07093566
  H     19.33927545      6.72949954    -17.02707091
  O     15.99726666     11.77544081    -10.60234427
  H     19.92140406      6.69849032    -13.33810307
  H     18.92112517      7.89573303    -17.98881791
  O     18.76969467      9.78445798    -13.12370203
  H     19.20049406      5.71879740    -14.28714528
  H     17.08616541     12.24507085    -15.44778937
  O     14.54396025     13.51062617    -14.19183111
  H     15.49379868     10.65456299    -15.96322033
  H     15.64594113     12.79705191    -15.51685958
  O     19.52640194      7.64375035    -17.27880062
  H     16.16312738      9.29121073    -15.72350106
  H     20.90506786     12.41567987    -17.04410822
  O     16.29895638     12.28608002    -16.01131030
  H     18.83416074      4.22967025    -16.35591602
  H     19.61021585     11.57243289    -17.11606345
  O     20.38132727     11.78363014    -16.55860184
  H     17.83123474      5.35241537    -15.99940823
  H     17.45729987      8.55998187    -19.99028472
  O     17.56311575      8.60905387    -19.04359310
  H     15.64843871      5.98177321    -14.89030540
  H     16.74249899      8.26213696    -18.65206337
          69
 Energy    -251.34160377691609     
  O     10.51664337     10.36461709    -12.31322550
  H     11.38857961     10.75370377    -12.46435710
  H     15.35461042     13.52037876    -14.30070252
  O     13.97359100      7.18043375    -15.30649133
  H     10.63038792      9.69057760    -11.63102720
  H     15.19775102      8.05832709    -14.33792259
  O     17.59999876     10.19170332    -10.72984326
  H     13.66946906      6.66992613    -14.54237577
  H     16.51603455      8.89567291    -14.27731263
  O     18.02013787      9.41624989    -15.26586094
  H     13.39270104      7.95099240    -15.37819665
  H     10.46925951      7.98368412     -9.69507484
  O     12.49033598      9.52630418    -15.22710050
  H     18.10244448     10.56922989    -10.01286695
  H     11.80665040      7.91599704    -10.46505216
  O     15.53271716      5.82752897     -9.52045511
  H     17.68873115      9.22456053    -10.65202138
  H     17.94789145      6.24900150    -13.86968484
  O     13.12596686      6.02915467    -12.92950289
  H     17.61597306      9.58670424    -16.12813178
  H     16.80346402      7.03740569    -13.21899876
  O     14.95380325      9.65955655    -11.47279234
  H     18.39958993      8.53007606    -15.31715083
  H     10.46142509      7.13975209    -12.15249424
  O     16.58884459      9.66180602    -17.66960987
  H     12.72447472     10.01500482    -14.42504505
  H     10.19178912      7.38769943    -13.64347440
  O     15.41495880      4.66593572    -11.95710692
  H     11.54413155      9.34655860    -15.16876477
  H     17.59193953     11.00511698    -12.48276183
  O     16.24389226      6.91751817    -16.93810222
  H     15.60158357      5.19051509     -8.81466549
  H     17.84468099     10.78630385    -13.99548495
  O     15.19819549     12.58063518    -14.25504548
  H     15.50397259      5.32109994    -10.35366155
  H     19.21343249      6.14252447    -16.12994641
  O     15.83334258      8.47490838    -13.74082368
  H     12.16765176      6.10531985    -13.04875687
  H     17.74808909      6.64136759    -16.10436186
  O     10.86692622      8.14987300    -10.54619717
  H     13.32793234      6.55523986    -12.14503362
  H     16.99703223      6.98698102    -10.06133127
  O     17.41710488      6.30253509    -13.06732296
  H     15.75681196      9.97951619    -11.04765145
  H     17.77167052      7.03192792    -11.38499947
  O     10.46166605      6.70708922    -13.01571961
  H     15.24871670      9.23744898    -12.29796324
  H     14.77708876     11.55982165    -15.79124502
  O     17.48451105     11.41027480    -13.35117838
  H     16.74995393     10.02921910    -18.53412139
  H     13.76618971     10.46828826    -16.20829032
  O     18.58753175      6.63630923    -15.60763934
  H     15.82249752     10.13761265    -17.30016421
  H     14.15800687      6.94712256    -10.05793786
  O     17.67389471      7.48319863    -10.53559706
  H     14.60408646      4.93629748    -12.40702507
  H     14.03052736      8.31132528    -10.79019943
  O     14.54757737     10.95229690    -16.50501270
  H     16.14624736      5.08879247    -12.42820588
  H     13.71880613     10.62144579    -12.35133435
  O     13.53701933      7.52246529    -10.52108461
  H     15.40510562      6.87694545    -16.45903414
  H     13.74698318     11.73412103    -13.40960961
  O     13.16031920     11.09847211    -12.98175319
  H     16.29519936      7.80650227    -17.31122226
  H      8.95491007      9.31182881    -14.91438436
  O      9.80573444      9.04801540    -14.57516964
  H     16.01394547     12.17962044    -13.90628846
  H      9.96493735      9.57334237    -13.76924261
          69
 Energy    -251.33653524237843     
  O     12.49174021     11.75023197    -14.98327989
  H     13.30660496     12.25398924    -15.08936119
  H     13.15134744      6.18913919    -15.65966850
  O     14.83505479      6.51480029    -13.02586877
  H     12.58524236     10.96866214    -15.54599938
  H     17.66012220      8.21295579    -12.62200734
  O     18.01210525     10.06793364    -12.58946318
  H     15.76912326      6.67137997    -12.83130570
  H     17.62383922      7.14208497    -13.70960293
  O     18.80864306     10.08414890    -15.25984069
  H     14.32713582      6.85550035    -12.27718988
  H     16.20359739     10.67326452    -17.18958589
  O     11.50920342      7.12958630    -15.48401458
  H     18.18946817     10.11870408    -11.64199438
  H     17.39560170     10.96680711    -16.23616347
  O     15.56483882     10.07460456     -9.04845506
  H     17.16656879     10.51855421    -12.73887648
  H     14.82470915      8.08615435    -13.99698186
  O     13.45197917      7.77592093    -10.98474602
  H     19.71839817     10.35316719    -15.36351693
  H     15.90452702      8.54275691    -14.98404205
  O     15.55620130     11.13664683    -13.16521837
  H     18.62016908     10.10530751    -14.30707112
  H     11.78994393     11.30891707    -13.47375116
  O     15.87721005      6.57453243    -17.51428492
  H     10.64776389      6.77068664    -15.67866350
  H     10.62871978     11.51598053    -12.47218861
  O     15.10675661      7.24794206     -8.78022593
  H     11.47198679      7.46378294    -14.56941703
  H     17.91294925      8.08314643     -9.82768035
  O     17.49758679      7.59267963    -15.49201830
  H     14.89509192     10.36443094     -9.68208851
  H     17.61956005      7.01538401    -10.89494948
  O     14.04546131      5.82651149    -15.64661280
  H     15.33324511      9.16744038     -8.81426503
  H     11.37200620      9.11988627    -12.88531270
  O     17.53823260      7.26252788    -12.75359609
  H     13.90593384      7.49665086    -10.18019543
  H     12.02782903      7.88274746    -12.24490412
  O     16.62340532     11.36229160    -16.65294800
  H     13.58322860      8.73310127    -11.04994515
  H     17.24176182     10.11053601     -9.51528725
  O     15.09607326      8.83357816    -14.54547217
  H     15.34063749     10.34133924    -13.67974527
  H     18.70291664     10.45399183     -9.14060941
  O     11.41601805     11.00144584    -12.62778155
  H     15.41352496     11.88979034    -13.75055568
  H     14.39680025      9.40946067    -17.59976832
  O     17.56235466      7.19186305     -9.94663670
  H     15.95917227      5.87553669    -18.15722976
  H     15.49765519      8.40457679    -17.95873640
  O     11.46919338      8.16422929    -12.97937473
  H     15.20343527      6.28554745    -16.87203175
  H     12.90698840     10.78489350    -11.53113170
  O     18.17028254     10.00735239     -9.79317944
  H     15.07647266      6.66396892     -8.02739871
  H     14.42414979     10.81735093    -11.81483472
  O     15.27986281      9.34305111    -17.98831856
  H     15.98488681      7.13747981     -9.18705950
  H     15.61374741     12.43609465    -15.77711324
  O     13.76570566     10.55593244    -11.15458431
  H     17.10227028      7.25282982    -16.30465531
  H     15.24155778     13.89611799    -15.42283573
  O     15.06162830     12.98908745    -15.19297761
  H     18.02419869      8.37755789    -15.68505091
  H     13.75686967      9.19296357    -15.70752546
  O     13.02055748      9.36192490    -16.31684349
  H     14.33503822      5.88665481    -14.72635819
  H     12.40407225      8.63202575    -16.18704537
          69
 Energy    -251.33555634230126     
  O     13.72418794      9.24973608    -17.35335241
  H     13.06928840      9.49356514    -18.00178330
  H     21.18234558      7.26799949    -11.46881776
  O     16.09457331      6.58366083    -12.23772614
  H     13.32667953      9.41243821    -16.47870567
  H     17.65207887      9.11821546    -17.64982342
  O     20.43267883      8.79994314    -15.82868079
  H     16.02685182      5.65804583    -12.49580312
  H     19.04962238      8.65837630    -17.17693761
  O     13.61364050      5.49999442    -14.57971710
  H     16.25072020      7.07373608    -13.06181102
  H     16.10573021      7.52497565    -15.26015798
  O     15.85096458     11.98264189    -10.82388194
  H     21.29038433      8.55323908    -16.16936555
  H     16.62846290      8.82606247    -14.57976050
  O     13.95718642      8.22163450    -11.55529378
  H     20.07515718      8.01491772    -15.37979835
  H     13.13254908     10.13695420    -14.22206093
  O     16.49928097     10.61740179    -14.46879860
  H     14.02722526      5.93684401    -15.33826919
  H     12.37541781      8.80873705    -14.40681008
  O     17.74285515      4.65455255    -15.46785013
  H     14.29836318      4.94071906    -14.19711379
  H     18.73834489      7.95157194    -11.06878356
  O     15.62514189      9.54138663     -9.66670100
  H     15.75211925     11.16193050    -10.30677763
  H     17.25138687      7.59537534    -11.29908160
  O     19.21914522      6.78629421    -14.38578423
  H     15.72576013     12.70830710    -10.21865146
  H     11.13637586      6.89886319    -13.24319418
  O     15.89296526      4.09657185    -13.54536543
  H     14.66485248      7.59008903    -11.74923679
  H     12.55857928      6.59934962    -13.77660967
  O     20.36922983      7.53453714    -11.88880085
  H     13.18400640      7.90666705    -12.03974054
  H     19.75187071     10.38921868    -12.88788412
  O     18.31638582      8.41941607    -17.75207997
  H     15.64692370     10.68505403    -14.01670117
  H     20.47455701      9.75682099    -14.11310164
  O     16.67661948      7.86227677    -14.55831355
  H     17.16535599     10.74440092    -13.78082805
  H     17.42715299     11.34613563    -11.71264494
  O     12.68725417      9.58946109    -14.88078227
  H     17.55579423      4.99815335    -16.34951737
  H     17.95606402      9.89747371    -11.74563621
  O     17.83815425      8.25144225    -10.89474275
  H     18.39476053      5.25972668    -15.08950878
  H     17.65294172      6.85196754    -17.90568122
  O     12.00607720      7.27591645    -13.34373651
  H     16.44438816      9.07664465     -9.88360546
  H     17.35696982      5.65545870    -18.84215428
  O     20.54699963      9.91355746    -13.16405527
  H     14.92469819      9.06786282    -10.13488958
  H     14.67798176     11.29959298    -12.18494709
  O     18.05126257     10.76550405    -12.16459392
  H     18.33693211      7.18987637    -14.43150338
  H     14.17333817      9.85183802    -12.37943306
  O     17.21008525      5.98412931    -17.95974615
  H     19.55662811      6.90724066    -13.49037905
  H     16.46889723     10.57481158    -16.33143621
  O     14.25592423     10.71029921    -12.82102426
  H     16.54207987      4.25455814    -14.25398229
  H     15.46619666     10.04153705    -17.36872666
  O     16.38347355     10.31751475    -17.25937894
  H     15.95855397      3.17315395    -13.31753931
  H     14.55783874      7.65957160    -16.95093678
  O     14.97620578      6.88236824    -16.55826848
  H     20.53234002      8.40365376    -12.29987041
  H     15.65140496      6.55205830    -17.16462300
          69
 Ord_Energy   -251.335388    
 O   -1.02756321     -0.394058287       7.08405399    
 H  -0.498528838      0.329515576       7.45139456    
 H   -1.56164968       4.45544021E-03   6.38608932    
 O    3.72094202       1.60805309       1.84557056    
 H    3.78906679      0.790492117       2.36017203    
 H    4.55664444       2.07636929       1.96723163    
 O   0.668107808      0.961093187       3.87264895    
 H    1.09315705       1.82067025       3.76364684    
 H   0.317452222      0.733636320       3.00247145    
 O    2.27104354     -0.627284646       5.39621687    
 H    1.74234748      -1.35700047       5.73787498    
 H    1.66741681      -8.87880176E-02   4.85788870    
 O   -1.98279202      0.842150807       4.74661779    
 H   -2.29768372      0.234798014       4.06703854    
 H   -1.02577949      0.913769305       4.60153294    
 O    3.16487551       1.54644799       6.84229994    
 H    4.12825012       1.52906358       6.89047766    
 H    2.89363647      0.737694502       6.38409567    
 O  -0.592678785      0.858313143       1.32450151    
 H   0.217839867      0.631216943      0.842243433    
 H  -0.650027871       1.81982911       1.38297927    
 O    1.91728890       3.31798649       3.04676580    
 H    1.15212488       3.52885675       2.49825001    
 H    2.53003788       2.76945925       2.53525496    
 O  -0.598100781       3.64766288       1.81583381    
 H  -0.973042846       4.36561871       1.31331968    
 H   -1.00920284       3.67445612       2.70027733    
 O    1.82210076      0.164774239      0.311807364    
 H    2.52196264      0.725539923      0.670463502    
 H    1.98270130     -0.721204579      0.661668658    
 O    2.61697960       3.97758746       5.60060310    
 H    2.40257001       3.80917978       4.66946793    
 H    2.79754901       3.12266612       6.02119827    
 O    6.31260443      0.446869791       4.17056179    
 H    5.59977722     -0.113688350       3.83598161    
 H    6.37173605       1.19383574       3.56250429    
 O    6.09780598       2.86419368       2.61793327    
 H    6.77320910       3.39393854       2.20332885    
 H    5.85245085       3.31753063       3.44449949    
 O    4.02380303E-02   4.33951044       6.50294590    
 H   0.966241121       4.32019329       6.20938396    
 H   -5.25460504E-02   5.10849667       7.06089258    
 O    2.12679505E-02  -2.43324089       3.24516892    
 H    7.42228776E-02  -2.49689507       4.20686817    
 H  -0.817151725      -2.00394678       3.04047227    
 O    2.21641207      -2.32732511       1.64846361    
 H    1.43067360      -2.38032198       2.22158217    
 H    2.31156349      -3.18183160       1.23590136    
 O   -2.29316425     -0.896180868       2.50879264    
 H   -3.01846242      -1.16994917       1.95344234    
 H   -1.75549865     -0.275631964       1.98463738    
 O   0.503211796       1.79114115       7.83789682    
 H   0.236924797       2.63420630       7.45490408    
 H    1.44932163       1.71157587       7.66341019    
 O    5.96841526       1.59043312       6.60842037    
 H    6.68959236       1.37221682       7.19235182    
 H    6.12352276       1.10897815       5.77585077    
 O   0.308263570      -2.49531603       6.08824682    
 H   0.234633967      -3.24176788       6.67584753    
 H  -0.206963092      -1.77010274       6.48911953    
 O   -1.62360060       3.59596705       4.30973864    
 H   -1.10583973       3.88807893       5.07019091    
 H   -1.93661666       2.70593095       4.51947880    
 O    3.97167730     -0.809578776       3.24698472    
 H    3.45285416     -0.785936654       4.06468868    
 H    3.50358081      -1.41318166       2.65767217    
 O    5.41972637       3.91930151       5.03091002    
 H    5.67811298       3.23663163       5.66323423    
 H    4.50251627       4.13506413       5.23832417    
          69
 Energy    -251.33386788839289     
  O     -2.31997928      4.16017784      4.61094690
  H     -1.93441656      4.16115664      3.72379774
  H     -2.80918962     -3.39720321      3.02421151
  O      0.62484618      2.27256086      0.85846324
  H     -1.94034786      3.39879718      5.06592290
  H     -0.30178392      3.01493488     -2.50531037
  O     -1.80335422     -0.04345272      3.74607192
  H      0.35777280      2.36826299     -0.06374444
  H     -1.35843527      3.11923446     -1.37925663
  O     -4.23179762      0.49259404     -0.16210238
  H      0.49080300      1.34158015      1.07852789
  H     -5.31888888      4.80597863      5.36154091
  O     -1.93271599     -2.72144631     -1.03009886
  H     -2.37730439     -0.81256297      3.85985855
  H     -4.03797580      4.16129556      4.77923680
  O     -0.24564847     -0.38840049      1.43530718
  H     -2.33141534      0.59636551      3.24045306
  H     -2.22122342      4.09261825      0.35282223
  O     -5.55571404     -0.79235706      5.60818978
  H     -4.59331164      1.36344138     -0.36529885
  H     -3.52232503      3.80154379     -0.42926315
  O     -6.60000770      0.20237747      3.12705939
  H     -3.36437686      0.39518265     -0.58149237
  H     -5.65877195      3.24695719      3.36434887
  O     -1.52308210      1.69377972      5.84583370
  H     -1.21976646     -2.93561043     -0.41528163
  H     -6.19342281      1.88648488      2.77985223
  O     -1.63846253      0.08549443     -0.94853735
  H     -1.86421500     -1.77082629     -1.18570308
  H     -0.62514473      3.29037152      1.70578507
  O     -5.15407691     -1.55605042      1.41951936
  H     -0.06913883     -1.33327394      1.34210111
  H     -2.08950926      2.95525024      2.07687163
  O     -2.38374496     -3.98113486      2.38246093
  H     -0.70625393     -0.27956048      2.27794707
  H     -6.06927792      3.48794432     -0.57942703
  O     -0.64679328      2.56098770     -1.74158982
  H     -5.12673872      0.04613954      5.85719768
  H     -5.53166015      3.06079836      0.80341193
  O     -4.99686709      4.03428718      4.90338308
  H     -6.04999172     -1.08568994      6.36874356
  H     -4.22421281     -1.81235427      2.97565937
  O     -2.59075847      4.02085544     -0.53861184
  H     -6.35766522     -0.13395436      3.99805283
  H     -4.35492083     -1.70312302      4.51234701
  O     -5.80803448      2.74845071      2.55147685
  H     -6.25937286     -0.44425373      2.49545091
  H     -4.66251422      2.38699796      5.81550126
  O     -1.45453523      3.68472485      2.01232123
  H     -0.75950055      1.51510297      6.38866610
  H     -3.39029140      1.59654979      6.18342357
  O     -5.30510288      3.12257019     -0.14016026
  H     -1.51788337      1.03671117      5.12954895
  H     -3.39012810     -3.43040347     -0.37263004
  O     -3.76426413     -1.99794016      3.80848637
  H     -1.17161260     -0.05069285     -0.11063855
  H     -4.50028462     -4.50533597     -0.45314827
  O     -4.35423643      1.55254731      6.18764248
  H     -1.26830188      0.88230268     -1.34868949
  H     -0.87738181     -3.49095402      1.65290009
  O     -4.13301028     -3.83226081      0.11325904
  H     -4.94942566     -2.38374403      0.96755299
  H      0.57720446     -3.83043779      1.24648416
  O     -0.10992435     -3.17823441      1.14041238
  H     -4.87140216     -0.84737817      0.82255488
  H     -3.48852193      1.16454261      1.38360823
  O     -3.28995764      1.61422865      2.21417493
  H     -3.02138793     -4.08607638      1.66506711
  H     -4.12170058      2.01204822      2.49907238
          69
 Energy    -251.33328092408192     
  O     12.02598002      9.61682459    -15.25111599
  H     12.65140434     10.18093942    -15.71463776
  H     18.51782612      6.74811594    -14.75601230
  O     16.26266682      7.08579113    -11.65813598
  H     12.13521212      8.73096309    -15.62882393
  H     16.76675578     10.01724870    -18.39138428
  O     17.67158238     11.09332288    -13.20542235
  H     17.08346945      7.59012490    -11.73810849
  H     17.04563822      9.94176469    -16.87094266
  O     13.08439244      6.03667095    -13.65656401
  H     15.65737416      7.58206485    -11.08837212
  H     14.13815155      7.59121197    -13.85256084
  O     15.38878376     12.12905076     -9.72485112
  H     17.78272290     11.69500986    -12.45949644
  H     15.49333293      7.83847996    -13.16512783
  O     14.49876933      8.62356907    -10.20026380
  H     16.72845291     11.08709585    -13.42816835
  H     11.54081321      9.74025259    -13.59010859
  O     15.02245256     10.88260503    -13.88442821
  H     13.83380193      5.47469479    -13.42841284
  H     10.35702609     10.03466144    -12.64196165
  O     15.44126528      7.44354947    -16.49646529
  H     12.71195707      6.38493527    -12.83144851
  H     18.35693030     10.89463120    -10.02197727
  O     16.10662337      9.78186868     -8.22441445
  H     15.53264084     11.41197215     -9.09513852
  H     18.56111286      9.42476583    -10.43457111
  O     17.18501902      5.71529453    -15.14137164
  H     14.67223981     11.83697799    -10.30418149
  H     12.95620772      7.70054530    -10.87748429
  O     15.56565045      4.78185815    -12.94668476
  H     14.20992513      9.41503131    -10.67666012
  H     11.83009334      8.18123118    -11.81388816
  O     19.23284247      7.37738317    -14.55256456
  H     14.97812985      8.93313445     -9.42170766
  H     18.62235574      8.99792780    -15.35818239
  O     16.33798003      9.95272598    -17.54197435
  H     14.69446586     11.18797420    -14.73720763
  H     18.15961162     10.38324458    -14.86224396
  O     14.91509647      8.16597030    -13.86436332
  H     14.93879545      9.91444332    -13.89006132
  H     18.18548752      9.49603623    -12.51415132
  O     11.28290038      9.80648323    -12.65282270
  H     15.73612478      8.21750513    -16.98729507
  H     18.86004454      8.16059718    -12.90500135
  O     18.39591438      9.99507503     -9.67317272
  H     15.30479412      7.74534461    -15.58417811
  H     18.15110197     13.43030247    -10.58593828
  O     12.23529314      7.38894373    -11.43812943
  H     16.96188569      9.79461670     -8.69077506
  H     16.93036010     12.48829443    -10.45122601
  O     18.25415145      9.83869359    -15.65464410
  H     16.29675968      9.64083357     -7.30114656
  H     12.71841635     10.64212412    -11.81137671
  O     18.48098228      8.64381941    -12.16018881
  H     16.58763583      6.18374258    -15.74062726
  H     14.11201470     11.02772793    -12.34201557
  O     17.82645531     12.56671798    -10.82580693
  H     16.63076703      5.29779805    -14.47234881
  H     14.85643460     10.81026145    -16.91988987
  O     13.59595029     10.92896318    -11.52878537
  H     15.69978170      3.99553613    -12.42335740
  H     13.87916714     11.99639555    -17.06989957
  O     14.10792171     11.26462795    -16.50157974
  H     15.84772317      5.53527373    -12.39887478
  H     13.51867962      7.10103864    -16.51048830
  O     12.60701943      7.08279211    -16.19527009
  H     20.04855887      6.95897911    -14.81494724
  H     12.62761410      6.56519382    -15.37732966
          69
 Ord_Energy   -251.332153    
 O   -11.8465385      -14.6007175       7.37641144    
 H   -11.4605570      -14.1537952       8.15403652    
 H   -12.3760080      -15.3211174       7.70611954    
 O   -11.1307030      -7.97911644       7.51502419    
 H   -10.4146919      -8.20354939       6.90327978    
 H   -10.7600956      -8.06126690       8.40290356    
 O   -7.73497915      -9.78141594       8.82230759    
 H   -7.26391459      -9.51602459       8.02513695    
 H   -7.90197897      -10.7287712       8.71497059    
 O   -6.52833509      -9.27094746       6.24980354    
 H   -6.47379684      -10.1662569       5.87035942    
 H   -5.68183374      -8.85986233       6.09675694    
 O   -9.23956299      -8.81664467       5.67519569    
 H   -9.47248459      -9.74944210       5.81714201    
 H   -8.28643322      -8.76837254       5.80752897    
 O   -11.0645199      -8.65327263       3.59785414    
 H   -11.7417479      -9.31224251       3.81294966    
 H   -10.3946018      -8.66598415       4.29828739    
 O   -7.11457443      -14.2330198       6.44595909    
 H   -7.99482918      -14.4960680       6.12166595    
 H   -6.61774731      -15.0372143       6.56925774    
 O   -12.7087975      -7.04005194       5.36733866    
 H   -12.1518831      -7.35155678       4.64414597    
 H   -12.1909933      -7.17307043       6.17370796    
 O   -8.40165329      -12.3782139       8.11118889    
 H   -8.90775013      -12.0223675       7.36413193    
 H   -7.83824492      -13.0620689       7.73210144    
 O   -12.4458981      -12.1750822       6.14290285    
 H   -12.6956100      -11.5074158       6.79974937    
 H   -12.3729906      -13.0334015       6.57703590    
 O   -13.1347675      -9.93663502       7.61948824    
 H   -12.4244270      -9.27907848       7.57606697    
 H   -13.8423882      -9.59955406       7.05815935    
 O   -11.9095697      -12.0886812       2.06029153    
 H   -11.2624607      -11.4512272       1.73511314    
 H   -12.4770565      -11.5915880       2.66442418    
 O   -13.1202126      -10.5346661       4.05915451    
 H   -13.8156700      -9.98346901       4.43637037    
 H   -12.9045343      -11.1935806       4.73703575    
 O   -14.7723436      -8.79150009       5.57222271    
 H   -14.1150665      -8.07664490       5.48981380    
 H   -15.6324396      -8.38389111       5.52302408    
 O   -8.65591717      -12.0204525       3.37548804    
 H   -9.12338257      -12.8380203       3.16201210    
 H   -8.96994686      -11.3493538       2.75636101    
 O   -9.84964085      -10.1255293       1.63898635    
 H   -10.2611179      -9.50435066       2.26394987    
 H   -9.56385994      -9.61245441      0.887824714    
 O   -9.90747929      -8.62040138       9.94362926    
 H   -9.10211658      -9.02058125       9.56877804    
 H   -9.64204121      -8.16030502       10.7353325    
 O   -9.80124378      -11.4447784       5.89417553    
 H   -10.7160501      -11.7498512       5.94099808    
 H   -9.42688179      -11.7252264       5.04931116    
 O   -10.7428217      -13.2354536       9.38178158    
 H   -11.1610050      -12.4209576       9.69556904    
 H   -9.86299610      -12.9827337       9.07293415    
 O   -10.4122658      -14.1819553       2.93559337    
 H   -11.0379114      -13.4939394       2.64778757    
 H   -10.4407616      -14.8669043       2.27196980    
 O   -6.47661972      -11.7580767       5.12273026    
 H   -7.11301088      -11.8232450       4.39791965    
 H   -6.56181097      -12.5892296       5.60468769    
 O   -9.62099648      -14.8901148       5.59402561    
 H   -9.96183205      -14.6962719       4.71304798    
 H   -10.3727436      -14.8385487       6.19696236    
 O   -11.8400373      -10.7708054       10.0169897    
 H   -11.1867628      -10.0640182       10.0827179    
 H   -12.4412699      -10.5062237       9.30998802    
          69
 Energy    -251.33144574071974     
  O     12.36344228     11.73972319    -11.78504718
  H     13.09487515     11.78202214    -11.15469414
  H     16.79098968     12.97485008    -16.23992502
  O     20.35782744      7.69643999    -12.35996977
  H     12.19505290     10.79913718    -11.91770553
  H     13.50903049      8.81866208    -15.00547953
  O     17.87391151     11.33760175    -12.25357112
  H     20.50336086      8.25583634    -13.14434563
  H     12.32601564      9.11062611    -14.06708515
  O     16.24819769      7.08784090    -12.59162178
  H     21.21901118      7.47722998    -12.01473320
  H     15.25957711      9.97783985    -13.70687834
  O     13.96051492      7.34735624    -10.87778269
  H     17.72748063     12.12210543    -11.71273084
  H     14.83354526     11.47021445    -13.54064986
  O     18.53996432      6.16783928    -13.96750111
  H     17.01279448     11.13384086    -12.65680006
  H     12.26650808     11.62288592    -16.98048782
  O     13.66031339     12.83406484    -13.95918006
  H     15.44647710      7.03173655    -12.06035335
  H     12.77323208     10.65979504    -15.88017166
  O     17.33722501      9.51695567    -16.23824292
  H     16.84432413      7.69364119    -12.12550065
  H     16.55794747      8.91790666    -10.01594640
  O     18.01863923      8.77223932    -11.23086480
  H     13.75549448      6.61830050    -10.29736683
  H     15.40763961      9.92672747     -9.77762750
  O     15.74958733     11.77101125    -16.92573381
  H     14.54076535      7.94864090    -10.37430480
  H     20.22110119      8.55360710    -15.33964206
  O     19.09762477      7.34524427    -16.35214061
  H     19.19892826      6.53976421    -13.36748472
  H     20.15479145      9.97470240    -14.74246939
  O     17.44193798     13.56286792    -15.81486596
  H     17.68755856      6.30489448    -13.53515711
  H     16.53755490     14.07267448    -14.21255274
  O     12.61596809      9.19459879    -14.98190398
  H     13.31654426     12.49477443    -14.79403630
  H     15.12193398     13.88687065    -13.62780354
  O     15.37813331     10.76578270    -13.16552533
  H     13.07446751     12.53828011    -13.24535507
  H     16.52803019     13.90036584    -11.82491751
  O     12.95650050     11.50228572    -16.33377632
  H     17.86834449     10.13963994    -15.72162495
  H     17.10377617     14.37899222    -10.46952247
  O     15.67300777      9.00690799     -9.63959761
  H     17.90891275      8.76249992    -16.42782383
  H     15.00168611     11.16889370    -11.41779864
  O     20.60083710      9.12165977    -14.65809971
  H     18.03313822      9.68895680    -11.54168127
  H     15.49190318     12.30049809    -10.49624516
  O     15.99995369     14.24307632    -13.43058806
  H     18.86430864      8.38420047    -11.48736805
  H     18.54728320     12.17927019    -15.18443962
  O     16.82785250     13.60135818    -10.94580730
  H     14.80714541     11.63480083    -16.77604306
  H     18.64935949     11.37602127    -13.86957127
  O     14.89634183     11.54217222    -10.52811689
  H     16.18305431     10.91203949    -16.84227421
  H     11.17453496      8.53733189    -11.90828051
  O     18.90256543     11.36653694    -14.80436292
  H     19.36295238      6.69583098    -16.99743096
  H     12.69811112      8.36766173    -11.75601411
  O     12.01310881      8.90054363    -12.18723981
  H     18.85813462      6.85790670    -15.54329121
  H     15.98349084      8.77893427    -15.32421539
  O     15.25482852      8.47474368    -14.76591885
  H     17.68363157     14.21758574    -16.46494926
  H     15.62335929      7.90308331    -14.07951063
          69
 Energy    -251.33124451992046     
  O     18.32749935      5.36761473     -9.81679667
  H     17.42719577      5.19502797     -9.50822552
  H     11.28706170      6.36211563    -12.99818022
  O     17.45054304      7.28674386    -16.10122055
  H     18.51660300      6.27712260     -9.55815898
  H     16.57971312      7.38222629    -11.63317685
  O     13.51920080      8.24844299    -12.10168887
  H     18.04577626      7.29434804    -16.84576638
  H     15.78125311      6.39347043    -10.71079979
  O     15.99234136      9.51454918    -15.06890154
  H     17.97949109      7.04113241    -15.32008135
  H     19.31941149      3.57674306    -12.22218546
  O     18.07118042      8.42707460    -11.86509598
  H     14.33803255      7.77101164    -11.89202915
  H     18.59182632      4.66230969    -11.39783672
  O     18.83029385      6.66245025    -13.87005449
  H     12.80341016      7.60993380    -11.99744529
  H     15.54048959     10.56219026    -11.47358391
  O     12.07323231      5.78097208     -9.37378993
  H     16.53992602      8.82549618    -15.46488646
  H     14.27687850      9.72055069    -11.22592915
  O     12.62835572      4.43547756    -15.27360606
  H     15.08896650      9.17711085    -15.09215032
  H     15.59112071      9.41420028     -9.38582563
  O     18.51638475      8.15521815     -9.13028379
  H     17.73399219      9.29528164    -12.12209740
  H     15.23523291      8.30638710     -8.36603523
  O     11.07957349      6.83516410    -14.84204866
  H     18.33995519      8.45827867    -10.93803218
  H     13.57022761      8.19952694    -13.89708002
  O     15.13530522      5.81976942    -15.46076499
  H     18.65991013      7.32529897    -13.18564850
  H     14.09187096      7.27220197    -15.04298368
  O     11.68059916      6.13795106    -12.14628798
  H     18.86073631      5.81602815    -13.41082714
  H     17.19284559     11.62747006    -13.07020605
  O     15.78518526      6.83664002    -11.56880692
  H     11.75681110      6.01477727    -10.25529725
  H     16.54511963     10.35013648    -13.65316921
  O     18.67287245      4.27425609    -12.28757782
  H     12.46511524      4.90421691     -9.47283973
  H     13.59415170      7.07906643     -6.93819760
  O     14.91008598     10.30682738    -10.79013498
  H     11.98781664      5.15636384    -15.25168054
  H     13.21038831      6.68111269     -8.37926639
  O     15.96264310      8.84331435     -8.69627566
  H     13.46682274      4.83825392    -15.53688149
  H     16.89270604      4.30257116    -12.91813223
  O     13.55027805      8.05343804    -14.85575155
  H     19.07161244      8.57189345     -8.47749033
  H     15.90572016      5.44288449    -12.61305398
  O     16.87760340     10.75922287    -12.83392338
  H     17.59665976      8.40305313     -8.91739653
  H     15.12095573      5.82352162     -8.63625069
  O     13.93808568      7.01460867     -7.82559179
  H     11.89428042      7.35750648    -14.93771119
  H     14.97731503      4.54176959     -9.49356804
  O     15.99839183      4.60903553    -13.10218878
  H     10.40066922      7.29264017    -15.33104184
  H     13.43815516      3.48950968    -10.96971485
  O     15.59604678      5.23796191     -9.24035397
  H     15.46895141      5.33924792    -14.68982989
  H     13.39824648      2.49040992     -9.79191857
  O     13.55216741      3.40676621    -10.00751101
  H     15.90081142      6.27255232    -15.83621860
  H     13.00789810      3.91043880    -13.58116986
  O     13.37442852      3.90256290    -12.68520739
  H     12.27468858      5.39303559    -12.31434493
  H     14.32445827      4.05961189    -12.79147602
          69
 Energy    -251.32699265547194     
  O     13.70012546      9.17575715    -10.81524407
  H     13.64282256      9.84230049    -11.51265634
  H     12.22524187      6.43525484    -10.78818379
  O     14.43602575     11.08011381    -16.50339367
  H     12.98131870      8.53885319    -10.94484433
  H     19.23896812      7.93187686    -12.45487145
  O     16.59574044     11.31038089    -12.43676676
  H     14.12295676     10.24355587    -16.13772438
  H     19.21465317      8.77611001    -13.75168401
  O     15.35431271      6.15832477     -8.80136631
  H     14.03154453     11.77314473    -15.96608081
  H     14.56794527     13.30609867    -14.47219474
  O     16.30244140     13.40969605    -14.28407914
  H     15.66952548     11.07755093    -12.57833878
  H     13.13520848     13.88176908    -14.59951349
  O     15.72761881      7.63293342    -12.04771850
  H     16.84548535     11.01549921    -11.54909341
  H     13.26510642      7.98971903    -14.71615544
  O     13.87970055     10.74343936    -13.04339188
  H     15.39557594      7.11194785     -8.66170659
  H     14.71477066      8.42118928    -15.02689206
  O     18.24952953      7.74363962    -10.90298130
  H     16.23304678      5.86876374     -9.07466173
  H     17.36023033     11.99028849    -17.39073958
  O     17.29428142     10.22222244    -10.01442949
  H     16.69144468     12.99104310    -15.06169495
  H     16.15324529     11.46912712    -16.57568065
  O     18.29631800      5.85447271    -14.49739576
  H     16.52064588     12.83175323    -13.53911117
  H     12.09621548      5.72951084    -14.50264909
  O     17.23207969      4.38198387    -12.29188579
  H     15.88396000      7.86118673    -12.97357913
  H     13.28695139      5.88269734    -13.53077343
  O     11.88907015      7.18962036    -11.28999835
  H     15.05950112      8.22198912    -11.67664552
  H     12.84753814      4.35945722     -9.36943736
  O     19.55562813      7.95735317    -13.36914923
  H     13.66462347     11.57583175    -13.48105697
  H     13.95580831      5.43295582     -9.48922880
  O     13.63057106     13.06786128    -14.59311915
  H     13.81584930     10.04927620    -13.71494965
  H     14.05403558      4.96713959    -11.59497862
  O     13.79988762      8.74254809    -14.99223128
  H     18.32192916      6.92307892    -10.40302034
  H     14.99162668      6.01804282    -12.23661952
  O     17.08272034     11.75198884    -16.51031229
  H     17.36212778      7.72235015    -11.29518235
  H     18.43524381      4.54907563     -9.35277976
  O     12.57984838      6.36995338    -13.98580712
  H     16.61814753      9.90475490     -9.40513056
  H     17.67258519      4.85740685    -10.66282052
  O     13.19875827      5.02744962     -9.95131362
  H     17.80897219      9.43668760    -10.24470989
  H     16.94138175      7.13040024    -14.77063419
  O     14.52374986      5.18461587    -12.41105416
  H     18.83338059      5.44626667    -15.17143360
  H     16.97765553      8.68329012    -14.70830879
  O     17.87363747      5.19563445     -9.77172096
  H     18.83403657      6.56514196    -14.10109824
  H     14.70963395      9.41283028     -7.79385292
  O     16.38480260      7.91792279    -14.74563664
  H     16.27698728      4.46250320    -12.40911225
  H     14.58054872      9.11947054     -9.30683556
  O     15.15754107      9.00455781     -8.53090982
  H     17.63023816      4.83627542    -13.04483131
  H     17.85783621     10.65731939    -15.21773358
  O     18.03730883     10.10116502    -14.44971855
  H     11.96301612      6.94713432    -12.22042452
  H     17.60867233     10.52890614    -13.69258590
          69
 Ord_Energy   -251.326385    
 O   -9.62042999      -2.78129205E-02 -0.199975044    
 H   -8.81817436      0.359282643     -0.571519673    
 H   -9.96655083      0.629191577      0.416550338    
 O   -3.78110623      -2.39149117       3.81570148    
 H   -3.09870625      -3.00494456       4.07901430    
 H   -4.06872892      -1.93312550       4.62619400    
 O   -7.20134735       1.24148786      -1.06082678    
 H   -6.50956631      0.615672529     -0.778043389    
 H   -6.99272537       1.49803686      -1.95488393    
 O   -8.24812317      -4.45648241       4.49850750    
 H   -8.92241859      -3.97565913       3.98419404    
 H   -8.65629292      -5.26361895       4.79905844    
 O   -7.30161142      -2.09076571       5.62637806    
 H   -7.64044523      -2.97320819       5.43813658    
 H   -7.26203203      -1.63946712       4.76972580    
 O   -9.97663307     -0.254342794       3.61847639    
 H   -10.1224051      0.396251708       2.91827512    
 H   -9.78943634      0.263459444       4.41325808    
 O   -4.71479464      -1.21233380       6.04462290    
 H   -4.82901764     -0.375192314       6.50570726    
 H   -5.59700108      -1.61221027       6.01780939    
 O   -7.97274351       4.36455774       3.55337524    
 H   -7.74081993       3.96050882       2.70656419    
 H   -7.43798447       3.90677714       4.21607113    
 O   -7.33014297     -0.876505435       3.12687349    
 H   -7.21926785      -1.44111562       2.35175180    
 H   -8.27028656     -0.666964233       3.21077514    
 O   -6.63122225       2.51595569       5.23266459    
 H   -6.20337772       2.17207909       6.02581120    
 H   -6.19534063       2.09024334       4.47957611    
 O   -7.42346525       2.63434958       1.36826956    
 H   -7.33204079       2.29563761      0.469088346    
 H   -6.75757647       2.17261338       1.89757872    
 O   -8.04185581      -7.63276368E-02   7.44191122    
 H   -8.64233875      0.490724176       6.94098091    
 H   -7.89265537     -0.857243538       6.89064884    
 O   -9.28608227       1.62281084       5.56283522    
 H   -8.37210941       1.91489220       5.42860985    
 H   -9.84394836       2.31096506       5.18152332    
 O   -3.49885321     -0.301673740       1.99610543    
 H   -3.59178686      -1.06170428       2.59268141    
 H   -2.56315064     -0.135529563       1.90907335    
 O   -5.64957809       1.23384404       3.00063586    
 H   -6.25269413      0.475320101       3.07397294    
 H   -4.81540775      0.877066195       2.68008518    
 O   -10.0852509       1.87830245       1.83287132    
 H   -9.16224575       2.13543534       1.68660986    
 H   -10.4318705       2.50057936       2.48320198    
 O   -10.0502768      -3.01565552       3.07602358    
 H   -10.0035515      -2.98445463       2.11274886    
 H   -10.1734543      -2.09995508       3.35976887    
 O   -5.60912848       1.13222170       7.46975851    
 H   -5.34600353       1.40801787       8.34367847    
 H   -6.47719526      0.698135018       7.56304693    
 O   -9.69005585      -2.69277811      0.270675123    
 H   -9.71122742      -1.73565841       8.81337896E-02
 H   -10.1736498      -3.11642790     -0.433327585    
 O   -6.95221233      -2.52665901      0.885065913    
 H   -6.61031342      -3.22915220       1.45874381    
 H   -7.85855961      -2.73630428      0.631601810    
 O   -10.5492964       3.65811825       4.00907850    
 H   -11.1212940       4.39792824       4.19327068    
 H   -9.65691185       4.02106953       3.85806465    
 O   -5.93576574      -4.14566708       2.82302308    
 H   -5.28463936      -3.57332873       3.24427843    
 H   -6.64488602      -4.29608917       3.46117353    
 O   -5.38184023     -0.538129449     -0.183002785    
 H   -4.68432379     -0.434671253      0.472042441    
 H   -5.90621996      -1.29985559      0.107820809    
          69
 Energy    -251.32638306164608     
  O     13.60420553     12.21119751     -9.37802096
  H     14.56637481     12.30467703     -9.44435460
  H     12.83349353     14.53255947    -14.44523141
  O     14.41860515     13.30195775    -17.17793102
  H     13.43819862     11.26355964     -9.40761681
  H     10.87693027     14.11664996    -12.81648992
  O     15.55533109     15.93341288    -11.05496400
  H     14.05767295     13.62436004    -17.99918829
  H     12.22716175     14.21853896    -12.07506871
  O     14.30780884     10.84013756    -15.82994200
  H     14.03267061     13.84600219    -16.46712654
  H     18.83332751     14.25739390    -13.25621073
  O     16.74825823      8.93043638    -12.29664584
  H     14.77552589     15.42983063    -10.79553897
  H     18.76554165     12.84197790    -12.65765549
  O     17.03840034      7.76627897    -14.88757303
  H     16.31940515     15.52319871    -10.62995853
  H     14.65343285      9.39046793     -9.44256194
  O     15.66258201     12.76160258    -12.68350601
  H     13.90533399     11.11514645    -14.99378380
  H     13.40779349      8.71859065     -8.81816081
  O     13.93385855      9.11521712    -12.30006562
  H     14.27493133     11.61172320    -16.40889441
  H     17.32503386     12.25614727    -16.36377545
  O     17.08892985     10.47233030    -15.77846787
  H     16.97915491      8.42498235    -13.08491782
  H     16.28115073     13.30945689    -16.77456328
  O     18.28491903     15.08021501    -14.86829124
  H     15.78337245      9.01727102    -12.30804277
  H     14.22073183      8.98096792    -15.39825965
  O     13.31679778     11.59259531    -13.33506403
  H     16.06593328      7.79905156    -14.95179235
  H     14.08356229      8.31137921    -14.01766451
  O     13.46385741     14.76964603    -15.13279858
  H     17.30946927      6.91722848    -15.22530148
  H     16.68335062      9.29082614    -10.43621120
  O     11.81153142     13.94746690    -12.90930929
  H     16.46219294     12.29075682    -12.95506162
  H     16.48350734     10.60710574     -9.65579695
  O     18.96677686     13.76173667    -12.43916095
  H     15.70531961     13.65476163    -13.04728076
  H     18.35179016     14.36447295    -10.93020637
  O     13.68189938      9.32892534     -9.49741881
  H     13.62623476      9.97429751    -12.62520360
  H     18.64801132     15.04353829     -9.57197561
  O     17.19712691     13.20456181    -16.48910350
  H     13.72970769      9.09098275    -11.35766535
  H     17.75969400     11.08155207    -14.18006850
  O     14.35523160      8.14588458    -14.93062854
  H     16.12761683     10.59609353    -15.78141759
  H     17.62266653     10.49146793    -12.76709297
  O     16.37801994      9.64752777     -9.59205724
  H     17.23289403      9.53387870    -15.60850855
  H     12.61032680     15.13277915     -9.78468729
  O     17.94736316     14.66504512    -10.09565299
  H     17.93587892     14.40102043    -15.47386005
  H     13.15675180     13.71608226    -10.07371341
  O     17.92239561     11.27552065    -13.24695075
  H     18.83161263     15.65931752    -15.39243671
  H     16.91344811     13.14370889     -9.83329284
  O     12.99373649     14.59098426    -10.47082420
  H     12.65036437     12.27752290    -13.22270780
  H     16.01567953     12.52756231    -10.92104743
  O     16.28906481     12.42789354     -9.99670092
  H     14.16136661     11.99828292    -13.07698145
  H     15.72955507     15.73059845    -12.81131960
  O     15.73954176     15.37433837    -13.71269435
  H     14.25449277     15.08484840    -14.66877041
  H     16.63524117     15.42773164    -14.06558661
          69
 Energy    -251.32569008392221     
  O     12.58310022     10.66710839    -15.95628193
  H     13.15101278     11.41824348    -15.75542616
  H     16.18783481      5.99430831    -14.55023493
  O     15.80115344      6.78345130    -12.97485670
  H     13.13301946     10.03442709    -16.44168870
  H     18.88055433      8.35090360    -14.38772713
  O     16.74236166     10.95626418    -11.36520578
  H     16.44010958      7.18895599    -12.37306562
  H     18.68245940      8.44345250    -12.84436957
  O     16.83505544     11.28747981    -15.31067298
  H     14.94822675      6.76138526    -12.52078363
  H     15.34689164     12.30031884    -15.32373436
  O     13.74127155      6.05715713    -16.57159256
  H     17.46152423     11.26007690    -11.93200310
  H     14.54385819     13.60040900    -15.55816016
  O     13.07445046      9.34702461     -9.05571128
  H     15.91881180     11.09256790    -11.85652687
  H     15.52800955      8.29291436    -13.95509023
  O     13.32450164      6.94383607    -11.75511750
  H     16.42516743     10.46861053    -14.98846640
  H     14.91651974      8.93691449    -15.23881290
  O     14.41708665     11.15589421    -12.84236799
  H     17.54755621     11.48900345    -14.69299483
  H     11.55748639      9.82764346    -14.84126571
  O     16.97650524      9.37629204    -17.43717999
  H     13.26397554      5.39777364    -17.06785526
  H     10.10633271      9.45390837    -14.45939703
  O     13.67142156      6.70154756     -8.97266228
  H     13.20532419      6.25691352    -15.78242750
  H     16.17663511      8.60092987     -8.74594781
  O     18.46685061      7.42336326    -15.98306565
  H     12.72252721      9.53263384     -9.93676678
  H     15.53854241      7.21333399     -8.91689775
  O     16.36976556      5.80291555    -15.48248730
  H     13.90446716      9.83401603     -8.98028706
  H     12.60753171      6.63217245    -13.48272486
  O     19.10852735      8.86354308    -13.60288731
  H     13.03589408      7.86767082    -11.75634373
  H     11.80785040      7.57983077    -14.39279696
  O     14.48014464     12.72157170    -15.19359392
  H     13.41458215      6.68989207    -10.82873711
  H     19.60927194     11.94883506    -13.20024524
  O     15.33560552      9.13121880    -14.39059982
  H     14.67048421     10.37486993    -13.36481489
  H     18.97074138     10.55337647    -13.41291395
  O     11.01758680      9.30613867    -14.22027918
  H     14.31371436     11.86975447    -13.48108262
  H     17.24395682      9.13061051    -11.39788656
  O     16.38553373      7.67499626     -8.92230346
  H     17.06589810     10.17413871    -16.90201183
  H     17.25399429      7.88668710    -10.48651575
  O     12.29550646      6.74734172    -14.38875784
  H     17.53118907      8.71381788    -17.00450480
  H     16.11180293     10.71772015     -9.69446706
  O     18.77205197     11.49868035    -13.26903389
  H     13.21424499      6.23416217     -8.27879054
  H     16.00256443     11.13385219     -8.21270858
  O     17.51929106      8.20540829    -11.36180611
  H     13.39457672      7.63470217     -8.91550391
  H     13.07887724     10.23341822    -12.06874483
  O     15.70165914     10.48599308     -8.84572389
  H     17.72541077      6.80986994    -15.83219764
  H     11.79560934      9.51921131    -12.53406336
  O     12.39912435      9.60543246    -11.78529168
  H     19.16425701      6.91142331    -16.38557855
  H     15.23001199      8.92454755    -17.29624503
  O     14.32792102      8.77042179    -16.97710242
  H     15.51257694      5.80233280    -15.92272018
  H     14.14832554      7.82253821    -16.99883288
          69
 Energy    -251.32338935308638     
  O     16.13002963     10.01236301    -10.11950502
  H     15.55825156      9.47456126    -10.68528030
  H     13.21791657     10.39694157     -7.31333201
  O     14.84199033      4.57336015     -5.96559234
  H     17.03183230      9.67592593    -10.22075271
  H     11.61256839      7.88215902     -4.79567837
  O     15.88189360     12.51310684     -9.09595989
  H     15.03851571      3.81336833     -5.42535795
  H     12.27121008      7.09180187     -5.95430444
  O     12.35700159      5.67577969     -6.89950573
  H     14.89943023      5.35569081     -5.38713381
  H     17.49818800      6.16647588    -12.36239939
  O     14.59460957      8.27850200    -11.58818152
  H     15.76440154     13.15740456     -9.78893040
  H     17.95395994      4.72186946    -12.67620223
  O     18.58779931      8.84373879    -10.42116286
  H     15.93665602     11.64156665     -9.52622681
  H     15.58446822      5.29538496     -7.47583003
  O     19.97286374     10.17318353     -8.38489638
  H     13.12331957      5.14485397     -6.65619534
  H     15.60394912      6.72395530     -8.10263292
  O     18.34227929      6.25501402     -9.40327926
  H     12.34122413      5.72508172     -7.86640317
  H     16.69938586     10.19046463     -5.25825853
  O     12.40567249      6.00431014     -9.65216635
  H     13.72973000      8.52758486    -11.23816632
  H     16.66547834     11.32269175     -4.20520171
  O     14.31524792     11.70428938     -6.85800613
  H     14.72567749      7.35191488    -11.33764595
  H     17.78878882      8.33147183    -12.08856892
  O     12.19716260      8.84456423    -10.18783830
  H     19.16455287      9.34205374     -9.82866949
  H     16.33013252      8.12392859    -12.55632735
  O     12.76225153      9.58952691     -7.60057172
  H     18.51286058      7.95264473    -10.04830565
  H     14.38438257      8.78018480     -7.79985953
  O     12.32801868      7.91083774     -5.42547379
  H     19.31752878     10.79887541     -8.02776256
  H     15.64394077      9.01468557     -8.66708800
  O     17.57766941      5.26916136    -11.99226532
  H     20.82423438     10.59649148     -8.31400630
  H     17.40321840     12.19931541     -8.00950967
  O     15.88737540      5.80659153     -8.23478260
  H     17.52649389      6.05720785     -8.91859957
  H     17.64232012     11.67628212     -6.58378884
  O     16.55051182     11.14386594     -5.13485994
  H     18.25346142      5.79958683    -10.24895967
  H     15.63806197      7.45680303     -4.84659695
  O     17.24241457      7.86843864    -12.73807769
  H     12.25961222      6.93158727     -9.87189304
  H     14.08874304      7.36553526     -4.77506473
  O     15.28202580      8.46560341     -7.96060843
  H     13.17639137      5.72998807    -10.16329267
  H     15.76838576      5.32961608    -11.31523743
  O     18.08710853     11.85870108     -7.42050003
  H     14.99794897     11.54802270     -6.19448249
  H     15.25193694      5.60895753     -9.89293634
  O     14.90397021      6.89371530     -4.56674176
  H     14.77355099     12.08785996     -7.61626671
  H     19.54073544      8.55149247     -7.45277968
  O     14.98720978      5.61064910    -10.82601397
  H     11.36338209      9.22082517    -10.45989786
  H     19.05372288      7.12876342     -7.78120988
  O     19.18405263      7.74800447     -7.05369619
  H     12.35498066      9.14947269     -9.27852794
  H     17.74297314      8.19759494     -6.05998082
  O     16.88696361      8.51220683     -5.73672161
  H     12.51925960      9.08382670     -6.81362693
  H     16.30264884      8.53147915     -6.51008361
          69
 Energy    -251.32079714554857     
  O     12.50376066     10.32219179    -15.46458045
  H     12.91748238      9.64015439    -16.01022026
  H     15.95205783      5.68118836    -14.58262925
  O     16.14071359      6.59275985    -12.99543544
  H     13.12818641     11.05561033    -15.42218002
  H     19.34274626      8.61119429    -14.92119688
  O     17.21316334     10.71692043    -11.38394608
  H     16.89458297      7.02344771    -12.56925801
  H     20.73637004      8.39386949    -14.29109166
  O     16.84433272     10.98236456    -15.48761957
  H     15.39146824      6.64647389    -12.38562289
  H     14.80329406      8.63419857    -15.06544080
  O     12.90315919      5.67825777    -15.73799551
  H     16.35660161     10.89602722    -11.79586502
  H     15.70255060      8.08490313    -13.92212946
  O     14.17901911      9.40308559     -8.64299864
  H     17.07813939     10.72407843    -10.42842647
  H     11.62887535      9.69898857    -14.08474592
  O     13.95981869      6.95725899    -11.31209276
  H     17.55079090     11.23526374    -14.87281473
  H     10.24358145      9.57421979    -13.41119606
  O     14.78770379     10.99297738    -12.71336326
  H     16.42345482     10.19371046    -15.11130706
  H     17.32413610      8.60854283     -8.93183572
  O     16.38947273      7.07615852    -17.47340872
  H     12.27291824      5.04448633    -16.06886507
  H     17.79609798      7.70488920    -10.08834859
  O     14.96671281      6.63742366     -8.73077336
  H     12.57922401      5.96753674    -14.86542793
  H     11.69135447      7.49575471    -13.36296064
  O     18.39365591      8.77902384    -16.38750178
  H     13.64452031      9.53434886     -9.43725432
  H     12.69097855      6.58207818    -12.61946784
  O     15.73493353      5.37821482    -15.47537349
  H     14.31264238      8.45052568     -8.56174524
  H     18.37224409     11.23550900    -12.76709525
  O     19.83745503      8.63494559    -14.08308371
  H     13.66943909      7.87940099    -11.27010262
  H     19.31809433     10.49084052    -13.72849487
  O     15.39197630      8.89361681    -14.34647568
  H     14.24168588      6.71635948    -10.42087875
  H     18.80886261      8.21147560    -12.59941011
  O     11.15622078      9.31020366    -13.32743959
  H     14.61933837     11.68317191    -13.36323939
  H     17.80746617      9.02202562    -11.74053676
  O     17.42273032      7.68572064     -9.19774068
  H     14.94755616     10.18867743    -13.23577262
  H     15.76726093     10.12586500     -8.61419342
  O     12.07760995      6.61148209    -13.36522220
  H     16.58040649      6.58397603    -18.26782427
  H     16.84667230     10.95495510     -7.87673774
  O     18.82986095     11.31522294    -13.61516228
  H     16.23204558      6.42180045    -16.76794257
  H     12.23942546      9.51268928    -11.80268290
  O     18.15706150      8.13150604    -11.89154084
  H     15.88219411      6.93270839     -8.88718289
  H     13.61579033     10.17743117    -11.63508630
  O     16.69715692     10.41403430     -8.64729792
  H     15.00678010      5.94640419     -8.07570842
  H     14.53039695     13.27154511    -15.53304491
  O     12.98515921      9.58857850    -11.19503894
  H     17.94076795      9.62779074    -16.30719915
  H     15.36300375     11.97796406    -15.38868261
  O     14.50734628     12.38842521    -15.17412807
  H     17.74979285      8.17363395    -16.77399446
  H     13.47403646      7.31926307    -16.38294219
  O     13.90382231      8.15492537    -16.61307420
  H     14.77146082      5.33739544    -15.51949595
  H     14.72657394      7.91882581    -17.06057790
          69
 Energy    -251.31747125260279     
  O     12.61803691     12.37332564    -11.33309112
  H     11.73404184     12.75712111    -11.38782778
  H     14.05481821     15.64118966    -15.27633453
  O     12.96741610     12.79928360    -16.36322394
  H     13.21713253     13.00512016    -11.75610129
  H     17.85571937     11.75834451    -15.80172618
  O     12.21692958     10.03310646    -12.81438680
  H     12.00291863     12.78014534    -16.40229143
  H     16.93702211     12.89569164    -16.40251226
  O     17.12239103     11.54105985    -11.41088793
  H     13.23778600     11.96468219    -15.95596108
  H     14.84399267     13.28083039    -13.11475296
  O     10.09242810     13.46843796    -11.90468291
  H     12.36961220     10.84683612    -12.31067660
  H     13.98230832     14.54193904    -13.35189178
  O      9.90334650     11.29529805    -13.77966106
  H     12.69374333      9.33388603    -12.35069357
  H     16.37214113     15.83680409    -15.33592392
  O     13.80643215     10.49280813    -15.03443457
  H     16.32484385     11.27270535    -10.92471467
  H     16.02567746     16.96753316    -16.33230118
  O     16.89714359     14.38314863    -11.54357899
  H     17.19489407     12.50110541    -11.35384541
  H     16.21227571     11.66151111    -13.00976637
  O     10.16815239     12.73617108    -16.06586485
  H      9.41146550     13.90297523    -11.39845866
  H     16.38765989     12.20553841    -14.46373930
  O     17.56797623     15.07859071    -14.31127582
  H     10.27842763     14.03793340    -12.67326741
  H     18.04292391     10.23764103    -12.19653429
  O     18.07694839      9.98560082    -15.55631307
  H     10.61006240     10.69971481    -13.49776493
  H     19.23000901      9.25567545    -12.30862747
  O     13.29797249     15.16878724    -14.90708982
  H      9.83115552     11.95907463    -13.08245686
  H     14.64284670     13.29903876    -17.15310104
  O     17.57652091     12.67994725    -15.70624184
  H     13.17222946     10.26045986    -14.34365285
  H     15.57206779     14.51690060    -17.00076452
  O     14.40853071     14.02001835    -12.66024268
  H     14.51954716     10.98135595    -14.59072715
  H     14.67711979      8.14685529    -12.03418213
  O     15.68974373     16.16112405    -15.95054158
  H     16.94876482     15.03868392    -10.85188246
  H     13.78982084      7.45918465    -10.96923034
  O     15.73584939     11.92785972    -13.80477171
  H     15.97271756     14.36836641    -11.84530725
  H     16.86167990      8.42861508    -12.93627204
  O     18.40412513      9.50173824    -12.71830528
  H      9.43350723     12.57279629    -16.65108163
  H     15.86932639      8.08050529    -14.06371445
  O     15.54360385     13.60502430    -17.31605851
  H     10.05008169     12.15142447    -15.29554710
  H     15.29305329      8.09494497    -16.63774231
  O     13.92370192      8.28210943    -11.43156695
  H     17.74070736     14.24471425    -14.77429846
  H     14.89090257      9.23193633    -15.67042638
  O     16.01530925      8.00079494    -13.11319709
  H     17.47536348     14.86203415    -13.37854933
  H     10.36625664     14.25412067    -14.89030777
  O     15.58086448      8.57592563    -15.86603647
  H     17.27812988      9.48077150    -15.75132203
  H     11.51123644     15.14472300    -14.38054093
  O     10.61221407     14.85505235    -14.17598770
  H     18.27584796      9.81403358    -14.62777963
  H     14.48112161      9.90225143    -10.59420618
  O     14.74839371     10.78784478    -10.31878083
  H     13.20737457     14.34753940    -15.41412126
  H     13.99005029     11.35881354    -10.49562348
          69
 Energy    -251.31702242474245     
  O     12.62119516     11.32606479    -13.96408942
  H     13.35328529     11.21265839    -13.34160456
  H     15.24826776      5.19925711    -15.46149466
  O     13.00178579      5.58444535    -17.58162913
  H     12.94607961     11.00654459    -14.81389289
  H     14.34285020      8.11796016    -14.21066710
  O     13.96271050      5.87335340    -11.91194854
  H     12.65874220      5.34846889    -18.43928501
  H     13.98553050      8.94228930    -12.95320672
  O     16.63762827      6.29415673    -11.44779250
  H     12.64666109      6.46630747    -17.37016178
  H     14.19019327     10.84185224    -17.06042444
  O     12.33020124      4.03633756    -15.21965205
  H     13.12209378      5.74277659    -11.45988896
  H     14.50644364      9.65170783    -16.12862961
  O     10.50502515     10.20086805    -12.68073979
  H     13.86961491      6.68541033    -12.43479452
  H     10.86205960      5.25481546    -10.32046711
  O     12.07727805      8.03194605    -16.88317039
  H     16.72831866      7.01386653    -10.80720636
  H     11.03310760      5.60512675    -11.81897655
  O     16.65504384      8.59639999     -9.96336057
  H     15.69011596      6.10571924    -11.51735540
  H     11.25961122      9.12104921    -11.28021343
  O     11.11827589      7.98392493    -14.27442279
  H     13.19813737      3.91563200    -14.81555095
  H     11.53400413      7.69495530    -10.72034917
  O     17.53318198      4.13318703    -12.90346551
  H     12.48955063      4.50427783    -16.04749408
  H     15.76653069      3.99449176    -13.64293850
  O     18.13227743      5.76659998    -15.20244244
  H      9.78271894     10.81899610    -12.61053579
  H     14.47918850      4.74667034    -13.24259678
  O     15.45823448      5.70466741    -16.26060937
  H     11.22469001     10.66144034    -13.14926041
  H     10.66391141      6.25638576    -13.81503485
  O     13.77601770      8.12905637    -13.42965312
  H     11.59495255      7.99510196    -16.04524284
  H     11.15539782      4.81322986    -14.05806967
  O     13.80997060     10.27666594    -16.39174420
  H     12.59928563      8.84045166    -16.84283691
  H     13.78861932     10.12013152     -8.79223194
  O     11.34503384      5.81742426    -10.91895066
  H     15.75632494      8.88191067     -9.75479323
  H     13.19121938      9.23454024     -9.90854500
  O     11.73963144      8.63024203    -10.60290269
  H     17.00062373      9.24851836    -10.58405730
  H     15.52340338      7.45746871    -15.90204978
  O     14.88697320      4.23422933    -13.95615329
  H     10.69630826      8.71382223    -13.80728813
  H     16.29399122      8.33545503    -14.88615704
  O     10.63173155      5.35972650    -13.45543782
  H     12.04274668      7.99328424    -13.98308112
  H     15.57637962     10.53313122    -12.24852249
  O     14.01259262      9.65389959     -9.59353077
  H     18.04355121      3.50681527    -12.39653616
  H     14.39750530     10.34048561    -11.25819367
  O     15.57834727      8.35224012    -15.53457003
  H     17.31219925      4.86521876    -12.30249764
  H     18.18206502     10.81704002    -12.34445564
  O     14.61356257     10.52145110    -12.18281768
  H     18.04796758      5.09870811    -14.50979408
  H     17.56533726      9.46309914    -12.76569363
  O     17.41944497     10.25726088    -12.22357491
  H     17.34016727      5.68160802    -15.74867973
  H     17.91255610      7.25230513    -14.20442913
  O     17.53627248      7.89629566    -13.58652407
  H     14.69306926      5.61583377    -16.84317563
  H     17.17518283      7.37728358    -12.85420988
          69
 Energy    -251.31489713330186     
  O     17.87204003     12.28150042    -15.77925522
  H     18.24329357     13.06451636    -16.17717370
  H     15.49050443      4.73933409    -16.61832367
  O     14.70763456      7.06032376    -13.82985238
  H     17.00295150     12.53669415    -15.42244096
  H     16.52957370      8.54779232    -17.54002580
  O     19.39228495      6.07293949    -16.45567242
  H     14.28471485      7.16063011    -12.96978913
  H     16.51258488      7.22045146    -18.33531034
  O     13.77388408      9.55335292    -18.40225297
  H     14.94069245      7.95444775    -14.12972770
  H     14.82940218     10.08842161    -15.05144806
  O     16.53463634      8.01114677    -11.00334408
  H     19.45350801      6.87382654    -15.91831900
  H     16.24108433      9.50892594    -15.30998059
  O     11.50023577      9.70256596    -14.76056675
  H     19.10053329      5.37877477    -15.85174694
  H     12.42674261      9.97756928    -13.13174276
  O     14.55614935     12.38572777    -12.14734260
  H     14.54791550      8.96891892    -18.33586758
  H     13.21578318      9.38053346    -11.94063572
  O     18.07803657      4.19937689    -14.72218347
  H     13.68893451      9.79102308    -19.32222752
  H     13.66799121     10.66593702    -16.88519865
  O     13.84995764      7.74277046    -11.23968542
  H     16.66233670      8.91403678    -11.32840066
  H     12.80580606     10.75938281    -15.59769484
  O     17.75158697      5.87390813    -18.60101705
  H     16.99358434      7.43740486    -11.62955611
  H     19.23429605      9.09575810    -14.26627339
  O     14.32082622      6.18585906    -16.39393234
  H     10.55591873      9.83801650    -14.77253131
  H     18.51972727      7.70968337    -14.15840888
  O     16.28576808      4.20987815    -16.76516811
  H     11.68450036      8.98587928    -15.39338447
  H     17.66760007      5.67763610    -13.65960841
  O     15.94425587      7.92259012    -17.99454206
  H     14.20372440     12.97327820    -11.48457472
  H     16.47189288      6.64507133    -13.49429407
  O     15.50822061      9.51150201    -14.68139770
  H     13.93993714     11.63332509    -12.21145994
  H     18.80356799     11.38047406    -14.31400348
  O     12.94662954     10.21032629    -12.35353549
  H     17.39398006      4.13474685    -15.41260220
  H     18.32874391     10.72755664    -13.01200431
  O     13.60351480     11.09865108    -16.02402708
  H     18.30959902      3.30713829    -14.47899526
  H     18.16062973      9.11910948    -15.99774889
  O     19.07723297      8.25865633    -14.72753887
  H     14.80399010      7.83261583    -11.06067508
  H     17.71037525     10.55348145    -16.42425341
  O     17.40819675      6.52694490    -13.28092149
  H     13.47739898      7.25628745    -10.50951355
  H     16.04516108     11.21899839    -12.06427106
  O     19.08129727     10.77368694    -13.61796836
  H     18.39152823      5.98957459    -17.87451881
  H     16.25119953     10.12516039    -13.11946352
  O     17.54872770      9.61176009    -16.56600654
  H     18.25333153      5.61711479    -19.36982781
  H     14.71533249     12.43095814    -15.33269375
  O     16.62205142     10.48343761    -12.29900177
  H     14.88239375      6.79751709    -16.88966970
  H     15.14383285     12.83290485    -13.91057980
  O     15.39501398     12.90921618    -14.83907244
  H     14.42598589      6.40273387    -15.45451677
  H     12.72979072      7.18274012    -16.57754219
  O     12.12380984      7.92365034    -16.70804226
  H     16.74636957      4.63686334    -17.49766289
  H     12.53421507      8.46379399    -17.39400866
          69
 Energy    -251.31429833166723     
  O     12.22371879      9.33587278    -11.27185286
  H     11.96613644      8.66257708    -11.91440399
  H     13.20176325     12.36491065     -9.46193783
  O     11.49453674      7.39970132    -13.13209640
  H     11.80544738     10.16744197    -11.52633152
  H     12.08946942      8.87857467     -9.54894610
  O     11.16687875     11.81881066    -11.92155217
  H     11.00667978      6.78603137    -12.56762639
  H     12.72057341      8.97876758     -8.10975028
  O     14.93803965      9.46471313    -11.10373056
  H     10.87359847      7.87633596    -13.69807874
  H     14.35721089     10.58808552     -7.89119477
  O     15.27596041      6.67911858    -11.27081821
  H     11.76693426     12.14955997    -12.60238536
  H     14.15763564     10.26886673     -6.39993464
  O     13.30478370     14.67292530    -11.44232755
  H     11.47336862     12.18920676    -11.08387126
  H     12.14667551      5.91341788    -10.36907171
  O      8.23700957      9.96991401     -9.88599853
  H     13.97447470      9.43106257    -11.21417147
  H     12.70952351      6.90207952     -9.33407510
  O     13.08330876     12.85306593    -13.62799076
  H     15.23823075      8.54954643    -11.11249322
  H     15.27045087     10.64740120    -12.44873444
  O     15.85404727     13.33053136    -11.20485847
  H     15.94051218      6.05078013    -11.00182571
  H     15.28674807     10.74038835    -13.98222701
  O      9.50452556      7.50315904     -9.32792253
  H     14.46383114      6.45338811    -10.78315069
  H      9.54030705      8.99655449    -15.57898275
  O     14.18796585      7.29127496    -13.84922202
  H     12.91842328     14.12070157    -10.74228433
  H     10.75660682      9.70131873    -14.93675909
  O     12.35946872     12.81934925     -9.60199024
  H     13.05702366     15.57321527    -11.24673857
  H      9.10736511      9.93741160    -13.25754761
  O     12.01162894      8.57303614     -8.62981609
  H      7.33154720     10.22629788     -9.73172460
  H      9.59692532     11.03943443    -12.30804752
  O     13.94960968      9.95722818     -7.27718074
  H      8.40635225     10.10119926    -10.83595766
  H     10.99176529     10.27756040     -8.36192930
  O     12.96066393      6.18627668     -9.93041031
  H     13.14519159     13.61557894    -13.03990499
  H      9.69450638     10.81856211     -8.97030467
  O     15.34048873     11.27657114    -13.18116027
  H     13.88227599     12.32635898    -13.47269399
  H     12.37535784     11.52920126    -14.83206419
  O      9.99873510      9.11708164    -14.75150409
  H     15.10266344     13.92091592    -11.33802320
  H     13.03155804     10.23278020    -15.32822458
  O      8.85850583     10.43276519    -12.47052610
  H     15.85623680     12.73068961    -11.96187702
  H     14.60017984      8.67887797    -14.78614312
  O     10.51198941     11.09410765     -8.53741770
  H     10.31768452      7.81406546     -8.90835299
  H     15.25449145      9.23065307    -16.07558696
  O     12.17714130     10.66992494    -15.22250941
  H      8.98717665      8.29604363     -9.51674879
  H      9.98423296      6.35948191    -10.52792225
  O     14.77299508      9.49179939    -15.29530167
  H     13.23964512      7.24689643    -13.66310624
  H      9.88938507      4.93678917    -11.13033938
  O     10.37995469      5.75254339    -11.17995556
  H     14.63116393      7.02317264    -13.03642861
  H     15.33279576     12.25283493     -9.81901963
  O     14.87192786     11.55964583     -9.32650291
  H     11.68596829     12.33047420     -9.10512000
  H     14.95027242     10.76343517     -9.87347823
          69
 Energy    -251.31362050904696     
  O      0.69592133     -0.06299343      5.08751462
  H     -0.27313220     -0.13196981      5.06334258
  H     -2.45921592      4.68199502      0.53291603
  O      1.82657812     -0.70570016     -2.69891630
  H      0.96930786     -0.36505983      5.95084499
  H     -2.05149247      0.13064252      3.87664191
  O     -0.47520657      0.21829251     -1.29212260
  H      0.98722918     -0.30844984     -2.43138744
  H     -2.27835788      0.94113059      5.17692416
  O      1.63110962     -3.32153959     -1.52623988
  H      1.75351544     -1.64245682     -2.47663244
  H      0.36376360      2.12419290      1.33232246
  O      3.11727697     -2.22685446      0.48024976
  H      0.14659558      0.45765703     -0.59230456
  H     -0.12805100      2.73310125      2.68585678
  O     -3.96216053      2.95408933      3.15138449
  H     -0.73465693     -0.69929315     -1.12573072
  H     -2.02348383      1.27229937     -1.32993736
  O     -3.35922728     -3.55040947      2.63044598
  H      2.00231106     -4.15489836     -1.80321357
  H     -2.76761527      2.46043437     -0.65365293
  O      0.16356940      2.71694752      4.43170946
  H      2.17093832     -3.00699270     -0.77922472
  H     -1.40022293      1.05537739      1.92775754
  O      3.65507483      0.22199283     -0.92188889
  H      2.69028229     -1.95419282      1.30224360
  H     -2.65633123      0.20811994      1.52241717
  O     -5.60241112      0.67559080      2.63561708
  H      3.46177736     -1.41976510      0.07728350
  H     -0.11420520     -2.88017749     -1.04752036
  O     -4.32064013     -1.45531105      4.07045373
  H     -4.55970389      2.21647986      2.97696874
  H     -0.85211410     -2.49713952      0.26066377
  O     -2.58981929      3.76377829      0.75759718
  H     -3.60248013      3.23659364      2.30240294
  H      0.73798607     -1.72002251      2.43631007
  O     -2.06139669      0.05978977      4.84526479
  H     -3.75526978     -2.83103357      3.15378420
  H      1.40138885     -0.79342661      3.47435860
  O     -0.36373174      2.59987856      1.75557079
  H     -3.67805054     -4.36784913      3.00329081
  H     -2.92712224      3.28840427      6.09639180
  O     -2.89015625      1.68758257     -1.21758109
  H      0.48410841      1.84830984      4.70119896
  H     -3.04677204      2.88925129      4.60583065
  O     -1.88140565      0.23756668      2.09888545
  H     -0.70266505      2.82434635      4.84641205
  H      2.26468257      0.78638296      0.17435360
  O     -0.92758351     -2.49025105     -0.70477274
  H      4.40539744      0.64861099     -1.32549113
  H      1.48416097      0.17100543      1.36666159
  O      1.53055217     -1.18734939      2.60387036
  H      3.06935377     -0.06781733     -1.64500556
  H     -1.65212151     -2.86684214      2.33993739
  O     -2.51547480      2.76569156      5.41412298
  H     -5.15688443      0.42944381      1.80405857
  H     -1.23460123     -1.40236138      2.05911038
  O      1.45384427      0.86303355      0.69136609
  H     -6.53540534      0.72422976      2.44298828
  H     -2.80417786     -2.67826773     -0.46879454
  O     -0.90728788     -2.31691961      2.06876090
  H     -3.59264785     -1.01263035      4.52503577
  H     -3.63909724     -3.04702813      0.77799464
  O     -3.69212952     -2.62903737     -0.09023058
  H     -4.83248879     -0.75431478      3.64877772
  H     -4.07096393     -0.92115893      0.20003778
  O     -4.15263526      0.00144025      0.48118172
  H     -1.73647361      3.43248684      1.08970574
  H     -3.81812997      0.57755660     -0.22187386
          69
 Energy    -251.31062280772841     
  O     11.72979262      9.65186144    -15.49690952
  H     12.09702175     10.54206556    -15.52763451
  H     16.49605327      5.98693232    -14.60185087
  O     16.19346480      6.98972653    -13.03843063
  H     12.35847578      9.09319202    -15.97592972
  H     19.19779415     10.44328553    -12.80765385
  O     16.10169843     11.03679302    -11.29482482
  H     15.93121413      7.71443021    -13.62884709
  H     18.97315464      9.05321758    -12.20486270
  O     17.40713547     10.93437621    -15.36161276
  H     15.42904165      6.80738189    -12.47612768
  H     15.34088460     10.65976132    -17.67890305
  O     13.63237752      5.42742578    -15.90429225
  H     15.62405655     10.79738688    -10.48781323
  H     16.07481402     11.40641746    -16.55480242
  O     14.49463013      9.95227758     -9.34446120
  H     15.42446518     11.11968282    -11.98265916
  H     14.86100090      8.75020248    -15.34890173
  O     14.03663148      6.80950942    -11.26936693
  H     18.16421300     10.36607183    -15.55469804
  H     16.10934785      9.62847267    -14.98159870
  O     14.12081393     10.98188291    -13.19696873
  H     17.61236413     11.39861814    -14.54073269
  H      9.85226449      8.32693427    -13.35515027
  O     17.52515420      7.71195663    -17.07451029
  H     13.20255536      4.64896681    -16.24808840
  H     11.10181061      8.83195748    -14.11639801
  O     15.86430349      7.41433226     -9.16817549
  H     13.23195944      5.60627210    -15.03408138
  H     11.86430337      6.76082838    -13.49253620
  O     19.51865739      9.08493409    -15.53852097
  H     14.88031030      9.10099390     -9.10560258
  H     13.01565378      6.11442232    -12.70278025
  O     16.46415460      5.68802964    -15.52034072
  H     13.74602761      9.75018995     -9.92143568
  H     18.38423468     12.91452080    -12.56701588
  O     19.50638702      9.52960376    -12.85260392
  H     14.56981166      6.84481916    -10.46685947
  H     17.42689845     11.75497900    -12.21073586
  O     15.27746728     11.42969177    -17.10187099
  H     13.59621891      7.67004953    -11.33849240
  H     17.00055057      9.37367806    -11.23030868
  O     15.41272439      9.06548305    -14.62115113
  H     13.73144195     11.53878761    -13.87955692
  H     17.10345004      7.94511720    -11.84434211
  O     10.80531582      8.33114354    -13.33445093
  H     14.53860642     10.24487171    -13.67149260
  H     16.35730770      8.51238107    -18.02858403
  O     12.50820588      6.04246264    -13.52067293
  H     18.25134174      8.08694178    -16.56628219
  H     15.79473533      8.80459730    -19.44122149
  O     18.11928003     12.03755267    -12.83253480
  H     17.19282311      6.95686830    -16.56570823
  H     13.15723471      9.92134672    -12.06334560
  O     17.45535610      8.52411833    -11.14928939
  H     16.33777344      6.96179954     -8.47489520
  H     11.95312294      8.96522093    -11.99842948
  O     15.63065483      8.94757866    -18.51350013
  H     16.53273503      7.76435683     -9.78075389
  H     12.82282679     12.99008229    -15.87097827
  O     12.72001775      9.26966023    -11.49702668
  H     19.55578579      9.13098735    -14.56714745
  H     13.88675808     11.90503904    -16.15119225
  O     13.14538700     12.14603862    -15.56713184
  H     20.42229224      9.09565337    -15.84392134
  H     13.71090454      7.15976860    -16.51624571
  O     13.73382180      8.11605641    -16.65260690
  H     15.53597221      5.48764937    -15.68860135
  H     14.30152653      8.31044088    -17.40925701
          69
 Energy    -251.30845154923452     
  O      1.38053878      1.20917629      4.50816683
  H      0.79178489      0.56048571      4.93512189
  H     -5.78212172     -2.03798674      5.42448052
  O      0.86690457      0.19732970     -3.00576656
  H      1.92221825      1.58035437      5.19963211
  H     -2.04581013      3.20303976      2.34848797
  O     -0.31456793     -0.56002493      5.65898531
  H      1.09566315     -0.71384098     -2.77946715
  H     -3.08589729      2.95623196      1.23283320
  O     -1.07495140      0.47587415     -1.09175956
  H      1.61258289      0.73323086     -2.70914378
  H     -3.66038583     -0.49288503      5.26692164
  O      1.56246234     -2.35156566     -1.86934936
  H     -0.34593788     -1.49047120      5.40478322
  H     -3.44206644      1.02432233      5.03097305
  O      3.28957143     -0.89213498     -0.34811940
  H     -1.23325634     -0.26028880      5.68395337
  H     -2.43547565      1.55267073     -0.75420910
  O     -4.40401743      2.44616238      4.28022478
  H     -1.12817606     -0.43725883     -0.77759053
  H     -3.51971277      2.51152885     -1.29390798
  O     -3.03804152     -3.24025623      3.63165100
  H     -0.50623260      0.46159304     -1.87625554
  H     -1.39763212      0.96191170      2.63168123
  O     -0.35698265      2.51827380      2.68795819
  H      2.00938627     -3.09579066     -2.26411345
  H     -2.22539169      0.04432627      3.56919951
  O      2.88887935      1.67458929     -1.57546074
  H      2.21288481     -1.90282485     -1.30049917
  H     -0.04595406     -2.36573922     -0.89331144
  O     -5.84492025      0.22330169      3.18184871
  H      3.04225261     -0.70509300      0.56672432
  H     -0.47617132     -2.18949998      0.58649048
  O     -5.05381406     -1.68839143      4.91867369
  H      3.33978772     -0.03593439     -0.79124976
  H      2.03668136      0.31411522      2.95612624
  O     -2.98350672      3.29458201      2.13010843
  H     -4.76271942      3.21603689      4.71370104
  H      1.42314090     -0.85677897      2.16348541
  O     -2.98636698      0.19945455      5.24628250
  H     -3.92462993      2.76790603      3.49620772
  H      0.22890681      1.27357147     -0.09188286
  O     -3.19358561      2.10422176     -0.49516950
  H     -3.15130752     -3.16393944      2.67285046
  H      1.36228167      1.02438028      0.95632480
  O     -1.85388105      0.11288219      2.67938255
  H     -3.78607590     -2.79343037      4.04192899
  H     -1.49182853     -3.27776619      4.32851722
  O     -0.80551158     -2.18936981     -0.32485782
  H      0.12162542      2.41514300      1.85323677
  H     -0.38282615     -4.08374459      5.05016942
  O      2.09559006     -0.15920022      2.11796057
  H      0.22937189      2.19627837      3.38425570
  H     -0.69056770     -1.21346901      2.42331363
  O      0.95506787      1.69649985      0.38845460
  H      2.22831829      1.83436924     -0.88021333
  H     -0.07110836     -2.48185083      3.05457295
  O     -0.57678868     -3.23319505      4.66735755
  H      3.36395705      2.49246661     -1.69717809
  H     -3.74221698     -1.94275226      0.83089818
  O     -0.00760390     -1.89135928      2.29508803
  H     -5.36741942      0.08166319      2.35205352
  H     -2.52407301     -2.74638301      0.35823928
  O     -3.32063757     -2.80946980      0.89871792
  H     -5.49520572      1.04685420      3.54343620
  H     -3.30717928     -0.05899046      1.61146509
  O     -4.08988489     -0.09737527      1.03938641
  H     -5.43193906     -1.06032143      4.27687094
  H     -3.98459604      0.62769313      0.41441308
          69
 Energy    -251.30566405080873     
  O     10.57641766     10.75279158    -12.43336496
  H     10.24193575     10.33124152    -13.23515127
  H     17.80615744      5.98910214    -14.24773648
  O     13.89851959      7.09501827    -15.12489535
  H     11.45580057     11.08424769    -12.65667475
  H     16.17129375     12.12494968    -14.10357717
  O     17.28491885     10.19014826    -10.80841861
  H     14.47379639      6.76464549    -15.82767183
  H     15.62852677     13.49350164    -14.57806625
  O     17.86290077      9.01131583    -15.10033122
  H     14.49021920      7.56304631    -14.51361317
  H     15.37959904      8.92718992    -12.78093544
  O     12.55086738      9.49093525    -15.40248487
  H     16.31741967     10.15711731    -10.91240203
  H     16.37328211      8.72612531    -13.98298060
  O     14.91669488      6.10943841     -9.60590740
  H     17.45762308     10.68169859    -10.00843764
  H      9.75331880      9.04220001     -9.87522459
  O     12.75639151      6.01855765    -12.84997972
  H     17.50038428      9.15371175    -15.98563239
  H     10.43194713      9.56137450    -11.16701053
  O     14.64766508      9.91894537    -11.40794955
  H     18.15610988      8.09179673    -15.07538103
  H     10.97747397      6.60310880    -12.88900027
  O     16.61266416      9.22889713    -17.59642710
  H     12.95143143      8.61017242    -15.37507438
  H     10.12656137      7.55660931    -12.02184052
  O     14.73591871      4.37410103    -11.65637946
  H     11.60080296      9.37565240    -15.27953146
  H     17.82731748     10.52410570    -14.03226727
  O     15.95857014      6.52974146    -16.87033179
  H     15.76608237      6.56452016     -9.70398960
  H     17.56188952     10.90230819    -12.55312779
  O     18.25165557      6.20242888    -15.08558947
  H     14.23018886      6.75925719     -9.80321181
  H     16.35571033      6.74545947    -12.95758389
  O     15.39675181     12.57297211    -14.48785602
  H     13.10166434      6.30048755    -13.70937960
  H     16.17079877      5.28638240    -12.46133720
  O     15.67086667      8.31384276    -13.46454560
  H     13.35692759      5.34459202    -12.50964852
  H     17.38082790      6.83960416    -11.13577192
  O     10.37143143      8.80186799    -10.55965888
  H     14.08010941      9.20785545    -11.07761900
  H     17.43107608      8.25417325    -10.51585059
  O     10.15469121      7.10994176    -12.87689445
  H     14.11426950     10.45959534    -12.00651766
  H     13.86911450     10.40962261    -16.33306943
  O     17.51670184     11.23626028    -13.45700634
  H     16.88632829      9.53256381    -18.45755607
  H     14.92747814     11.48118739    -15.97940570
  O     16.82869947      5.91762347    -12.77611628
  H     15.88738444      9.81327901    -17.30986881
  H     12.09769126      8.16535584    -10.53353068
  O     17.33420032      7.32015842    -10.30030504
  H     14.69499113      3.46578894    -11.37045435
  H     12.91517250      7.25205191    -11.48507981
  O     14.67790390     10.83382041    -16.64926768
  H     14.79568748      4.92257303    -10.85139732
  H     13.88968533     11.83356975    -13.69594118
  O     12.98814130      7.84479059    -10.72348428
  H     16.73113768      6.29961862    -16.34118412
  H     12.99872217     10.61118310    -14.03515175
  O     13.20618667     11.25267673    -13.33912839
  H     16.14686842      7.40572701    -17.23132191
  H      9.06003181      9.01349840    -15.17379464
  O      9.87131283      9.11192660    -14.68314218
  H     19.00155300      5.61725605    -15.15436254
  H      9.93988546      8.33972511    -14.09277641
          69
 Energy    -251.30190263586451     
  O     16.15472766     11.49210138    -13.84477279
  H     16.97198214     11.23767825    -13.40114623
  H     14.92449898      6.84197795    -16.85700041
  O     14.07943158      6.12069654    -13.88309865
  H     16.12344002     10.99416342    -14.67265578
  H     17.03701038      4.13962589    -13.16024039
  O     16.73865600      6.38719986    -10.34377844
  H     13.41842651      6.65699662    -13.42393526
  H     18.00459992      3.07122366    -13.71280560
  O     18.79456578      8.00631979    -13.50760469
  H     13.96614958      6.23373799    -14.83844112
  H     19.31924163     10.96839772    -12.25871580
  O     13.10018276      9.44083129    -16.71060606
  H     16.66822250      7.32976162    -10.54802784
  H     18.73071775      9.67217332    -12.85884721
  O     12.99169659      7.72637901     -8.79268085
  H     16.22335164      6.23229800     -9.54255105
  H     15.39137919      7.35724257    -13.78482434
  O     12.39499662      7.73823227    -12.38254830
  H     19.03216236      7.31887603    -12.86582533
  H     15.86279439      8.68574820    -14.44093098
  O     16.43662164      9.02447149    -11.18083408
  H     17.83379713      7.94747066    -13.62760239
  H     13.51990682     12.61250215    -12.54422285
  O     16.72117221      7.36451838    -17.29679549
  H     12.51104192      9.84355904    -17.34213961
  H     14.60316316     11.63521536    -13.05469997
  O     11.44349265      5.95863037    -10.45152360
  H     12.71644469      9.59562243    -15.82801849
  H     14.09679418      4.74011648     -9.44690131
  O     18.35007781      6.08836346    -15.55311058
  H     12.33674542      7.20279476     -9.27084246
  H     14.24654592      4.25611469    -10.90221374
  O     14.01739563      6.73765579    -16.54364569
  H     13.20937746      8.47366116     -9.36531750
  H     12.66353787     10.53196764    -13.70891705
  O     17.87441012      4.01328556    -13.63699347
  H     12.90588790      8.33937721    -11.82180092
  H     12.12500185      9.08562173    -13.63735224
  O     18.49774166     10.52293063    -12.44842003
  H     11.94194472      7.12680886    -11.78841110
  H     18.38945133      5.99284554    -11.16590169
  O     16.01587726      8.08744789    -13.69944429
  H     17.16759886      9.63331916    -11.32824925
  H     18.83642105      5.15575372    -12.37983511
  O     13.72156360     11.68574155    -12.64431514
  H     16.19261763      8.70663354    -12.06717320
  H     15.98784829      5.26522219    -11.59010018
  O     13.61102672      4.34381619    -10.18113331
  H     17.08295177      7.24180255    -18.17060109
  H     15.03539214      5.08766546    -12.82353832
  O     12.20286109      9.85386811    -14.21797493
  H     17.29777018      6.86985258    -16.68811984
  H     15.05776680      5.84073443     -7.27881142
  O     19.10869949      5.87909552    -11.80205891
  H     10.63803047      5.47196220    -10.30030056
  H     14.27977573      6.63274569     -8.35777385
  O     15.61036207      4.61515915    -12.20119394
  H     12.17513215      5.31772840    -10.39621851
  H     14.73027435      9.40031031    -10.78518003
  O     14.96114263      5.95009441     -8.22081769
  H     18.72552794      6.75782495    -14.96765467
  H     13.65822979     10.37532502    -11.30179815
  O     13.77843229      9.57821864    -10.77131290
  H     18.16730821      5.32558018    -14.99128574
  H     14.87812881      9.70684925    -16.27928906
  O     15.80098612      9.69368275    -15.99031642
  H     13.60002686      7.59892885    -16.66992659
  H     16.22997883      8.99025857    -16.49553516
          69
 Energy    -251.29920206633773     
  O     12.72616516      8.56287751    -10.37601719
  H     12.32089062      9.33250155    -10.79886620
  H     10.82478838      9.80221758    -15.06697521
  O     15.51804026     10.56569065    -13.22450666
  H     13.57017732      8.85073848    -10.00911388
  H     14.96094135     14.10211549    -13.92357823
  O     16.68490834     14.30124567    -13.47584216
  H     16.42994499     10.87857950    -13.27674887
  H     14.13045414     13.25327010    -14.92936017
  O     17.96596545      8.51427241    -14.09931393
  H     15.00092994     11.19761051    -12.71071860
  H     15.71802213     10.93682243     -9.76226891
  O     11.72217937     10.56752805    -12.07843292
  H     17.29085533     13.99840164    -14.16349590
  H     15.04822534     12.13015531    -10.47773875
  O     11.29039746     13.93515335    -14.55789134
  H     17.04892881     13.96907777    -12.64739443
  H     15.86289568     11.96931926    -16.91701909
  O     14.06131043     12.15466753    -16.43363046
  H     18.22423712      9.38683329    -13.77027785
  H     16.85304127     10.77526226    -16.93012262
  O     15.48227641      9.05008294     -9.66352987
  H     17.36247912      8.14992714    -13.44087694
  H     18.44566807     13.47964019    -10.55233884
  O     13.86025412     12.30256970    -11.83690355
  H     10.97101490     11.12450640    -12.31933031
  H     17.17061086     12.61259557    -10.66735074
  O     14.42822722      9.57394289    -15.49812969
  H     11.88296305      9.97980329    -12.83034051
  H     12.42446389      8.01105889    -13.67716786
  O     18.45687103     13.07563135    -15.36119224
  H     11.27122364     13.58464215    -15.45685091
  H     12.91840222      9.01287533    -14.74529845
  O     10.27305117     10.51349007    -15.41677614
  H     12.22521055     14.05626336    -14.34359753
  H     17.32816008      8.71094683    -15.72491467
  O     14.06345033     13.81028977    -14.14203877
  H     13.16490623     12.30021452    -16.76038769
  H     17.27384100      8.24151220    -17.19721381
  O     15.80260458     11.88359661     -9.92222402
  H     14.09914600     11.23133259    -16.14451089
  H     10.81087524     12.53892391    -17.80905454
  O     16.79775085     11.73612356    -16.99303870
  H     15.90481212      8.52728836     -8.98563904
  H     10.94315632     11.70243288    -16.51379038
  O     17.90467930     13.00248469    -11.17540056
  H     15.70734751      8.63726011    -10.51297940
  H     12.99006036      7.38881397    -11.63227553
  O     12.15360915      8.77494051    -14.19983408
  H     13.06900172     11.74891684    -11.88108412
  H     12.92420456      5.95928333    -12.22509032
  O     16.90704555      8.87568439    -16.58712458
  H     13.84742131     12.90487644    -12.59399675
  H     18.25572526     11.75392728    -12.48946749
  O     11.33127537     12.44121136    -17.01634242
  H     14.80670069      9.95500141    -14.68796228
  H     18.41644020     11.80494959    -14.02711739
  O     13.21924189      6.84694428    -12.40997609
  H     15.16942242      9.19279734    -15.98295344
  H      8.95974225     12.64537504    -12.83828373
  O     18.24919614     11.20660512    -13.28626459
  H     17.87204884     12.63056170    -16.00105671
  H     10.28603923     12.89102396    -13.59834780
  O      9.74606936     12.21064877    -13.15597613
  H     19.15562761     13.48446256    -15.86395935
  H     15.67045620      8.91700003    -12.57869039
  O     15.82010108      8.02504707    -12.22442381
  H      9.95148925     11.00477561    -14.65040910
  H     15.01287329      7.52256658    -12.38844265
          69
 Energy    -251.29876329174357     
  O     -5.98270436      1.21651444     -0.11555905
  H     -5.33219802      1.87581226     -0.39919577
  H     -1.23594679     -1.67461394      4.06585580
  O     -5.21610252      1.12535240     -4.53917519
  H     -6.01076315      1.25782020      0.84817618
  H     -0.99650852      0.76675294      3.56873916
  O     -5.60832960      1.36015231      2.69850452
  H     -4.88427587      0.23895057     -4.72896284
  H     -1.60854526      2.17023759      3.43900568
  O     -0.17974818     -1.57158679      1.11151863
  H     -5.93468092      1.00647645     -3.90612013
  H     -3.29194424      2.35326638     -0.47319943
  O     -2.20986929     -1.25390502     -0.73310318
  H     -4.80086248      1.90219457      2.71097507
  H     -3.82580135      3.79437509     -0.34429068
  O     -4.11246466     -1.53536427     -4.64623090
  H     -6.13017522      1.62391066      3.45228673
  H      2.63151129     -0.03772194     -0.35663617
  O     -4.87989378     -1.41950896     -0.04320297
  H     -0.86090347     -1.61930658      0.42481701
  H      1.28512121      0.36705168     -1.00292632
  O     -2.05522735     -0.19484532     -3.29220831
  H      0.54141565     -1.05769187      0.73109885
  H     -0.63371897      4.17117600     -1.20549955
  O     -3.11422617      2.43190521     -3.37578690
  H     -2.14569163     -0.95913528     -1.65092539
  H     -0.20284767      3.76549487      0.22277920
  O      0.36237002      2.26512528      1.08813810
  H     -3.14344556     -1.41524616     -0.54031482
  H     -6.44085404     -1.18969181     -2.63780858
  O      0.42535345      0.85809063     -2.42839719
  H     -4.71531659     -1.77504644     -3.91918418
  H     -5.51564173     -1.98460231     -1.70602185
  O     -1.49912989     -1.03528348      3.40806362
  H     -4.17180196     -2.23163590     -5.29443856
  H     -3.33371986     -1.11556407      2.90172146
  O     -0.76891234      1.70579446      3.53706854
  H     -4.68378820     -1.52475579      0.90022391
  H     -4.68651319     -0.36890550      2.77673527
  O     -3.96334693      2.96663571     -0.81839798
  H     -5.24056903     -0.52853264     -0.13617378
  H     -2.14989928      0.39702926      0.05109607
  O      1.71782130      0.14763667     -0.15759728
  H     -2.65655408     -0.72617855     -3.82914380
  H     -1.25906164      1.59532908      0.51020003
  O     -0.68343046      4.43859980     -0.28058732
  H     -2.41338984      0.70340469     -3.29168120
  H     -2.16615498      4.87835957      0.47036988
  O     -5.84951603     -1.95215129     -2.61268012
  H     -3.47524950      2.68935439     -2.51532180
  H     -3.12499760      5.97156264      1.00103841
  O     -4.24712291     -1.20933936      2.60424620
  H     -3.85501163      2.08772295     -3.89584811
  H     -6.85579152      0.83332558     -1.64070395
  O     -2.16965820      1.30923760      0.36190928
  H      0.95018192      1.56814031      0.77333641
  H     -8.12895026      0.79403022     -2.51285656
  O     -3.04320737      5.03139549      0.87032383
  H      0.12212407      2.07756397      2.00839636
  H     -2.87526198      2.10544429      1.83557656
  O     -7.20039629      0.57416230     -2.51090000
  H      0.20701893      1.78382211     -2.58792954
  H     -3.20843809      3.58893274      2.09610243
  O     -3.24549767      2.71180371      2.49754414
  H     -0.31144190      0.35433762     -2.79640816
  H     -1.49739972      3.15871251     -3.20908975
  O     -0.60763067      3.47963430     -2.98508282
  H     -1.00048980     -1.25072188      2.59912691
  H     -0.30808508      3.99248724     -3.73233068
          69
 Energy    -251.29720783285035     
  O     12.90994567     10.89746304    -15.60332843
  H     13.38925849     11.64423424    -15.23108901
  H     16.72865775      6.07958649    -14.77918105
  O     16.37839693      6.64426270    -13.15394323
  H     13.43777470     10.59066075    -16.35556338
  H     20.79468900      8.61008644    -13.67053538
  O     16.91675035     10.46745853    -10.90166106
  H     16.99704925      7.02482137    -12.51597423
  H     19.43474351      8.56599839    -14.40302414
  O     16.92199170     11.38447288    -15.00366621
  H     15.50965655      6.57655662    -12.73257280
  H     15.10239618      8.69219875    -15.10811211
  O     14.54200062      7.39196190    -16.40808278
  H     16.63548028     10.33234353     -9.98823085
  H     15.95823001      8.29467997    -13.89613976
  O     13.50690522      8.65169449     -9.00109048
  H     16.11466100     10.64853184    -11.41210930
  H     11.91313777      9.81938618    -14.67520501
  O     13.88341545      6.62275313    -11.98474100
  H     17.60193822     11.48727986    -14.32150156
  H     10.46086934      9.36609748    -14.40828917
  O     14.65866057     10.83473034    -12.46887817
  H     16.48241252     10.53782082    -14.82658072
  H     16.66462558      8.00918352     -8.74871892
  O     17.47671900     10.31475534    -17.45458754
  H     15.30588461      6.81245543    -16.31169099
  H     17.42305847      7.30257402     -9.88716306
  O     14.44131250      5.95122607     -9.32674050
  H     13.83972944      7.05074175    -15.83310332
  H     13.01785590      6.48904420    -13.69314440
  O     18.64146259      8.18333057    -15.90625376
  H     13.67860234      7.70219507     -9.02544249
  H     12.13410367      7.49758560    -14.45268345
  O     16.89289020      5.93097709    -15.72739142
  H     13.07218781      8.86618625     -9.83681695
  H     19.19908267     10.51800369    -13.12432705
  O     19.86244957      8.77390221    -13.55339273
  H     13.48459461      7.49686772    -11.86872072
  H     18.18932844     11.15812880    -12.14750681
  O     15.57239599      9.05441889    -14.34742819
  H     14.00948084      6.25976430    -11.09917879
  H     17.67899713      8.87139744    -11.30580015
  O     11.36501704      9.21056445    -14.14775403
  H     14.55887349     11.66087593    -12.95535040
  H     18.79676018      8.19908096    -12.14262653
  O     16.87483195      7.13840354     -9.10944922
  H     14.89059890     10.16350631    -13.13166476
  H     15.87402578     10.17250982     -7.53043448
  O     12.65005896      6.68831205    -14.56265781
  H     17.94811412     10.87855938    -18.06340351
  H     15.01504837      9.42515500     -8.57850225
  O     18.70824954     11.32990767    -12.94426495
  H     17.34512502     10.83008262    -16.64027692
  H     14.50564201      8.94176151    -17.34281024
  O     18.09437866      8.01886409    -11.50525671
  H     15.34934765      6.29439593     -9.24396607
  H     15.53314467     10.03857980    -17.66335212
  O     15.91440743      9.74336086     -8.38077106
  H     14.38355898      5.18247944     -8.76625722
  H     12.07865783      9.14928384    -12.41789469
  O     14.58876768      9.88183612    -17.56415795
  H     18.26174432      8.83387976    -16.50812573
  H     13.33656712      9.81156762    -11.82993276
  O     12.66784373      9.13338238    -11.65323652
  H     18.07672936      7.40240256    -15.95084050
  H     15.50386351     12.45505608    -14.69813533
  O     14.67022101     12.86674584    -14.41326215
  H     17.07482290      5.00088051    -15.83427698
  H     14.77225654     13.80745199    -14.53015538
          69
 Energy    -251.29063569323529     
  O     13.32558729     13.67589929    -14.52342914
  H     12.68790461     14.32735451    -14.24389927
  H     15.07734800      9.45365046    -18.63084856
  O     16.77714675      5.93109196    -14.42167602
  H     13.62633534     13.21185054    -13.72284629
  H     14.31794479      9.52050349    -13.59910314
  O     13.95697683      5.30595472    -14.12250199
  H     15.86490489      5.64674617    -14.29192741
  H     15.27767507      9.14457590    -12.42294965
  O     15.84134721     10.26909850     -9.39964981
  H     16.77478284      6.45896421    -15.22900177
  H     14.43142839     11.41814978    -16.32708527
  O     13.32712221      6.74540282    -11.92413965
  H     13.67323056      4.40402990    -14.00050067
  H     13.27687943     12.24181679    -15.71885662
  O     14.44242278     12.35052079    -12.39512635
  H     13.70760667      5.79016875    -13.31484629
  H     17.59820434      6.64558083    -12.96388960
  O     13.41705024      9.28428972    -18.08008114
  H     14.92454344     10.47804757     -9.65158539
  H     18.47259032      7.81792166    -12.43310400
  O     15.61647180      7.99839620    -11.05840033
  H     15.88263566     10.32024799     -8.44811285
  H     11.97653022      9.23612850    -12.87272531
  O     16.47770489      7.87222099    -16.49578270
  H     12.68299570      7.45653108    -11.84808572
  H     10.74752761      9.12422674    -11.94426136
  O     13.77266330      7.32744905    -16.03219418
  H     14.14169738      7.08851172    -11.52687661
  H     16.79089708     13.63938244    -13.43372797
  O     17.32235335      9.85307511    -14.74909694
  H     14.69865031     11.45213788    -12.65778000
  H     17.33727548     14.39389622    -12.20143803
  O     16.03694554      9.56287604    -18.75872626
  H     15.26591937     12.84065421    -12.27689847
  H     20.24495837      9.65482783    -12.69608009
  O     15.12279676      9.78057153    -13.13447380
  H     13.23981713     10.05950840    -17.53175285
  H     18.84387925     10.09512601    -12.20519262
  O     13.47595873     11.41287088    -16.17023768
  H     13.36494109      8.52253715    -17.48774659
  H     17.20371224     10.90026816    -10.58980584
  O     17.90266622      7.09171222    -12.15884347
  H     16.46425453      7.63382077    -11.36090020
  H     17.59415250     11.97633858    -11.63804558
  O     11.70201263      9.12706025    -11.94642275
  H     15.78656272      8.64996449    -10.37026817
  H     16.27838476     10.96054979    -17.48013255
  O     16.96282926     13.56142528    -12.47846797
  H     16.45999685      8.32054797    -17.34875013
  H     16.70638161     10.96344242    -15.99225623
  O     19.31218915      9.51628588    -12.83429474
  H     16.83668746      8.51274392    -15.86380613
  H     13.58853903     11.52033992    -10.95728919
  O     17.88667163     11.15743482    -11.22040155
  H     14.71180821      7.51204312    -16.18117573
  H     12.76484099     10.23374865    -10.76623224
  O     16.24437228     11.48169683    -16.66951908
  H     13.73965126      6.54520704    -15.46644835
  H     15.21743769     13.92599978    -15.01124916
  O     13.33324661     10.85835766    -10.30005919
  H     16.56332484      9.83782971    -14.14555881
  H     16.29919389     13.09346864    -15.72078440
  O     16.17149053     13.79985818    -15.07362852
  H     18.11158742      9.74755947    -14.20589676
  H     12.89009814     10.11693116    -15.04791259
  O     12.72671483      9.34685433    -14.48612578
  H     16.19973912      9.50222133    -19.69592413
  H     12.99866049      8.57020788    -14.99633558
          69
 Energy    -251.29059419193854     
  O     17.39529757     11.09904697    -14.87041236
  H     16.57903975     11.61132469    -14.85392362
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  H     11.52064430      5.40557319    -13.12297147
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  H     18.30124460      7.68292256    -14.63288829
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  H     13.75020371      6.44665556    -16.07105466
  H     12.58603011      7.59677258    -11.56511486
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  H     15.68134127      6.40958473    -14.52522611
  H     12.94896861      7.57085388    -10.05555891
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  H     15.39649671      4.99956226    -13.95035246
  H     11.60302026      6.38197666    -15.06474526
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  H     14.68582677      9.56671873    -13.70554211
  H     10.06510007      6.53079619    -14.96894280
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  H     14.23206028     10.66159463    -14.68930008
  H     16.31803594     11.33406132     -9.60142127
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  H     16.54683439      9.08632549     -8.86648518
  H     17.18437038     11.68888290    -10.81822482
  O     12.85393506      7.01507946    -10.83773696
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  H     14.74603679      8.36359997    -15.43371217
  O     10.87079106      6.62008584    -14.46729180
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  H     16.07645282      7.92787310    -16.07995065
  O     16.55256176     12.06124797    -10.18696390
  H     13.30637941      4.13712191    -13.50233499
  H     14.59871016     13.22707247    -15.07789748
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  H     18.22609819      8.02858568    -10.25286159
  H     14.75475548     12.57742727    -13.68360650
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  H     16.85657379      7.32805265    -10.16001688
  H     18.56997258      9.93168343    -11.96914202
  O     17.92512573     10.61960298    -12.17088076
  H     14.27045079      9.19484130     -8.61779745
  H     17.05528612     10.18777355    -12.15189169
          69
 Energy    -251.28860603123982     
  O     -8.55082803     -3.83618138      4.49933909
  H     -8.06376662     -3.31290375      5.16029855
  H     -4.53681421      1.51441213      3.57672579
  O     -7.92853048     -1.25622068      1.06207604
  H     -8.77197555     -4.66372186      4.91932376
  H     -6.74796342     -0.56929782      3.93598666
  O     -6.96225305     -3.66023873      2.14228110
  H     -7.78791108     -0.90722985      1.95720471
  H     -8.23716055     -0.16018296      4.20309129
  O     -4.97795215      2.04119966      1.88768013
  H     -8.86601275     -1.12931406      0.88812015
  H     -7.37085606     -1.57787330      6.77992654
  O     -7.83407935      0.15589760      7.49866319
  H     -7.49748867     -3.78320032      2.93574162
  H     -6.32585233     -2.06904689      5.76180988
  O     -5.75538484      5.71368758      4.50041409
  H     -7.37327074     -2.93701545      1.64913924
  H     -1.49511848      3.41697733      5.00311669
  O    -10.49858900     -1.94639039      3.63696228
  H     -5.91984495      2.26059138      1.89760325
  H     -2.80874906      3.72945221      4.24224357
  O     -5.17158462     -1.32730482      4.57681222
  H     -4.91357935      1.19480815      1.42056553
  H    -10.47508769      2.42128110      3.54328200
  O     -3.74665945      4.35861127      2.91396251
  H     -7.90385787      0.37324991      8.42472810
  H     -9.57885932      3.11037560      4.59541017
  O    -10.75852275     -0.77972380      1.23035463
  H     -7.27855545      0.84270537      7.09203213
  H    -11.01079749      2.41657438      1.01429177
  O     -5.17554188     -0.46882632      0.78110365
  H     -5.34275798      5.31335537      5.28680763
  H    -10.57984161      1.00997986      1.48080053
  O     -4.29937157      1.27061651      4.48347860
  H     -5.76499675      6.65648348      4.64451600
  H     -5.29907231     -3.19394024      2.23760930
  O     -7.52208230     -0.13868856      3.55453449
  H    -10.35832007     -1.27110333      4.31639880
  H     -3.78010171     -3.46375785      2.09955576
  O     -7.11102013     -2.34435443      6.25773210
  H     -9.89224935     -2.66239696      3.86010419
  H     -9.17768240      0.08428577      6.19171650
  O     -2.44052193      3.30367695      5.03893785
  H     -4.71744902     -0.47349747      4.59621963
  H     -9.97663933      0.93625471      5.14963176
  O    -10.35701642      2.54622981      4.49229296
  H     -4.81198649     -1.83757766      3.83989890
  H     -5.19862249      3.56835514      6.66224740
  O    -10.43948997      1.95889229      1.62689466
  H     -4.47948876      4.86211635      3.28823041
  H     -3.79020000      3.99945262      6.20174953
  O     -4.41599199     -2.78764882      2.31570715
  H     -4.13423348      3.62578244      2.41521107
  H     -5.67899186      1.74370139      5.61258004
  O     -9.66773634      0.04261890      5.36298424
  H    -11.41762669     -1.25509716      0.73164832
  H     -6.94170371      2.64815870      5.67146824
  O     -4.62039188      4.33526934      6.56434396
  H    -10.69366488     -1.22233479      2.09758906
  H     -7.58876098      1.41525012      2.71850161
  O     -6.36810491      2.07798768      6.20343412
  H     -6.10836077     -0.68824050      0.66293218
  H     -8.59125955      2.23409475      1.87322522
  O     -7.70226113      2.25575925      2.24425965
  H     -4.78946580     -1.23081496      1.22857376
  H     -7.20890425      4.54326737      4.48052320
  O     -7.80706103      3.78780437      4.52648279
  H     -3.56458080      1.83903993      4.74210449
  H     -7.73713840      3.32303727      3.67860030
          69
 Energy    -251.28509546886346     
  O     20.88091215      8.67500466    -13.07401472
  H     20.88615043      7.70895722    -13.07881590
  H     18.13203967      9.54190385    -14.38063662
  O     20.35017362      4.73128262    -10.65100336
  H     20.45053271      8.93600572    -12.24641301
  H     17.62327627      7.76752006    -13.14297269
  O     15.19198527      7.96754295    -10.54786386
  H     19.61003285      4.12413686    -10.76309537
  H     17.02691883      6.36023369    -13.43220274
  O     13.45499282     10.89668001    -13.67868870
  H     20.49087157      5.12361402    -11.52526728
  H     14.62449501      8.37415945    -14.30188472
  O     19.66983958      9.29920728    -15.37068436
  H     15.79115525      8.70780153    -10.72818973
  H     15.20141027      8.33084432    -15.73835077
  O     11.70081716      8.94936845    -12.49059109
  H     15.74714178      7.22283524    -10.28814039
  H     17.88518850      6.30847129     -9.75101750
  O     17.78122560      3.43983015    -11.07915624
  H     13.98701788     10.37356877    -14.29166168
  H     17.34204072      6.35719358    -11.20438932
  O     13.95273605      7.31855376    -12.95793980
  H     12.74696239     10.30958926    -13.38496593
  H     18.87913420      4.11068960    -14.94336794
  O     15.60611259      5.52299867    -14.31345296
  H     20.17244417      9.10871942    -14.55596251
  H     20.00738168      3.80273213    -15.95726939
  O     20.29024129      5.94220011    -13.14846742
  H     20.17006210      9.94755636    -15.85813292
  H     14.21444909     11.57418205    -12.24185543
  O     17.56760966      3.55182366    -13.94363297
  H     10.75754737      8.88003720    -12.37390349
  H     14.48579640     12.79599412    -11.33335690
  O     17.38213613      9.48527743    -13.77613159
  H     12.07315962      9.22055502    -11.63136451
  H     19.92716870      6.06505238     -9.58957041
  O     17.66120807      6.83855559    -12.88360901
  H     17.45859954      4.29780060    -10.75720300
  H     19.96394450      6.79381978     -8.22479342
  O     14.97740342      8.92839415    -15.01452559
  H     17.35627683      2.77183491    -10.54603833
  H     19.48978255      8.41826462    -10.11521465
  O     17.15137204      6.02312784    -10.31174637
  H     14.41397561      7.50623080    -12.12735582
  H     18.60470928      9.54538474    -10.70390119
  O     19.60171591      4.50912872    -15.46213867
  H     13.08095398      7.72482409    -12.87865708
  H     15.61370691      6.66325474    -17.66546096
  O     14.58220178     11.84861716    -11.38282963
  H     14.91988948      5.99446684    -13.82157362
  H     16.80297874      6.93943480    -16.71089984
  O     19.52788504      6.78784579     -9.07256621
  H     15.62145967      5.89991382    -15.20291388
  H     18.96544124      7.70318274    -16.10735599
  O     19.49219821      9.16843439    -10.72053431
  H     19.38481376      6.26725161    -13.02387316
  H     18.93543365      6.14690004    -16.14607110
  O     15.82981037      6.90689251    -16.76988071
  H     20.26561942      5.41803349    -13.95687852
  H     13.70967893      9.03712834    -10.16554306
  O     18.48998997      6.94226675    -16.46200418
  H     16.77825818      4.09310572    -14.08065669
  H     13.49251394     10.52757013    -10.47104527
  O     13.02310219      9.71430232    -10.24718950
  H     17.66692993      3.45287321    -12.98920761
  H     16.14568910     10.81981068    -11.16401247
  O     16.81734739     10.12691975    -11.17258726
  H     16.57415403      9.37937973    -14.29667994
  H     17.05815315      9.99036718    -12.10248749
          69
 Energy    -251.28195284413437     
  O     14.27909917     12.27072680    -15.31405380
  H     14.89506255     11.97818799    -15.99666758
  H     17.40840462     12.36796781    -14.34306775
  O     15.28564201      6.36946247    -13.60631770
  H     14.82225690     12.61675289    -14.59538311
  H     15.64454120      9.09942433    -14.67286554
  O     16.15393765      8.87633398    -10.18860267
  H     15.67696016      6.05813307    -14.42917893
  H     15.52227248      9.69494111    -13.21780477
  O     18.62201749      9.58533353    -13.69617273
  H     15.52867792      7.31017395    -13.55763351
  H     11.22077587     11.57698727    -15.16375180
  O     11.96030445      8.78426592     -9.81888742
  H     16.20276602      7.97515712    -10.53718568
  H     12.76135998     11.51423504    -15.02447304
  O     12.65786576      7.13345763    -13.19495119
  H     15.55829395      8.83757221     -9.42919000
  H     14.20141036      6.70502497     -8.84270571
  O     15.01492238     10.79572600    -11.82701451
  H     17.68975604      9.32095655    -13.67218194
  H     14.94685289      5.86615025     -9.90047946
  O     16.75915712      6.23997578    -16.01791931
  H     18.62594131     10.43950447    -14.14717653
  H     12.59356388      7.89362995    -14.94501702
  O     11.81070018      6.06551597    -10.73480026
  H     12.04760429      9.28208383    -10.64222316
  H     12.39019558      9.30911795    -15.51569778
  O     18.81767942      6.88345392    -14.37600490
  H     11.74833950      7.88051886    -10.08425506
  H     18.90054680      9.23630028    -11.90121491
  O     19.10235177      6.20485159    -11.57963798
  H     13.54166954      6.76311409    -13.33111184
  H     18.03843033      9.02631381    -10.62920880
  O     18.02199620     11.96086168    -14.96718825
  H     12.28750399      6.69364114    -12.41964266
  H     15.95544391      6.12329612    -11.95339393
  O     15.92297276      9.00120666    -13.75342506
  H     15.43991824     10.18197958    -11.21062697
  H     17.29185162      6.06617961    -11.17344482
  O     11.93363283     11.03590224    -14.83550310
  H     14.09406500     10.51774079    -11.93525447
  H     13.35476936      8.70627366     -8.76644478
  O     14.14245578      5.89556415     -9.36433809
  H     17.04205271      5.56961433    -16.63372902
  H     13.98419114      8.85820937     -7.36046688
  O     12.74965939      8.43849326    -15.72666752
  H     17.53337061      6.45904070    -15.46691585
  H     15.94162453     10.27260835    -16.95993849
  O     18.90427297      8.84649822    -11.01473696
  H     12.64410419      5.92105937    -10.25090934
  H     16.35807281     11.31257416    -18.02538716
  O     16.34053211      6.18941788    -11.06813778
  H     11.22173830      5.35818286    -10.48664172
  H     12.20377649     10.29583887    -13.15681704
  O     14.16176402      8.54794593     -8.24407418
  H     18.91820962      7.83911257    -14.26303817
  H     12.59898026      8.88143933    -12.66483645
  O     16.21042253     11.19814846    -17.09001833
  H     18.93599762      6.51066362    -13.49502102
  H     16.08717509     13.71824139    -12.59985089
  O     12.50704081      9.80399074    -12.38376394
  H     19.11943352      7.14790300    -11.33202594
  H     15.67702946     12.22788130    -12.61049351
  O     15.99411148     12.95834927    -13.16878622
  H     19.86216775      5.79991182    -11.17029449
  H     14.41260708      8.53554070    -16.31523236
  O     15.35845280      8.68393422    -16.47626439
  H     17.49333850     11.73326423    -15.74154626
  H     15.81626976      7.83603622    -16.42525535
          69
 Energy    -251.28149346609354     
  O     12.20116833     11.75320981    -12.73391930
  H     12.48795595     11.19968619    -11.98636931
  H     18.84256589     14.02691726    -15.91502915
  O     20.15507715      6.83632415    -12.46755077
  H     11.32294724     12.05841564    -12.52119955
  H     12.53168687     10.69697562    -14.30228858
  O     18.38828504     10.96337675    -11.97748955
  H     20.95857182      6.40533271    -12.18946377
  H     13.52401229      9.68541379    -14.93136025
  O     15.94227690      7.18690112    -12.41089899
  H     20.38176564      7.38562605    -13.23948394
  H     15.41692054     11.73641191    -13.24473653
  O     14.09540728      7.60444166    -10.30474026
  H     17.50144391     10.94124546    -12.37538381
  H     15.49436749     10.18972982    -13.37380561
  O     17.90346031      5.84682791    -13.95407424
  H     18.38074381     11.72539644    -11.38787217
  H     13.23452192     12.74200451    -17.14059544
  O     14.39826384     13.18229393    -13.80744422
  H     16.70400811      7.61293602    -11.99034911
  H     13.44370079     11.62891422    -16.08441800
  O     17.34295372      9.41933240    -15.93274668
  H     15.22988176      7.20416461    -11.76056790
  H     17.00491280      8.59257646     -9.71471187
  O     18.17662144      8.32635289    -11.15696238
  H     13.68120210      6.97178376     -9.72346154
  H     16.06785323      9.76629089     -9.36219794
  O     16.60996089     11.99417592    -16.80866285
  H     14.84115720      7.99324883     -9.81084864
  H     20.03425791      7.86837875    -15.37816065
  O     18.60853653      6.96407624    -16.32310198
  H     17.13020862      6.15519625    -13.46467465
  H     20.29824763      9.23017991    -14.69770476
  O     18.40603833     13.38473816    -15.36107326
  H     18.66473298      6.02886711    -13.38875522
  H     16.01125333     13.99185709    -13.27209663
  O     12.82425609     10.32035062    -15.14132284
  H     13.61899271     12.81856278    -13.36529011
  H     17.46568058     13.92586453    -13.78656307
  O     15.80714268     10.94279982    -12.85877028
  H     14.24842641     13.06527963    -14.75451839
  H     18.08429411     14.01852402    -10.06600605
  O     13.84359734     12.42526625    -16.47938675
  H     17.73611107      8.58087474    -16.20578316
  H     17.41059052     13.66923147    -11.41398404
  O     16.23350657      8.83070654     -9.18328428
  H     18.01528539      9.88337711    -15.41415378
  H     13.29190424      9.34241550    -10.59252667
  O     20.57643261      8.30475391    -14.70934141
  H     18.91346976      7.80623748    -11.49986208
  H     13.82116791     10.75155102    -10.26459100
  O     16.92889422     14.15570100    -13.01819043
  H     18.33876052      9.24814662    -11.40236680
  H     19.13767955     10.86532176    -13.59961715
  O     17.68199701     13.30407351    -10.55166786
  H     15.65471623     12.12336008    -16.77260496
  H     19.17972284     11.73022485    -14.87295027
  O     13.06543986     10.27829418    -10.63856186
  H     16.77224340     11.05375948    -16.65763823
  H     15.57501802     11.16472519    -11.06293854
  O     19.34809256     10.83896781    -14.54451476
  H     18.66201043      6.30673913    -17.01108097
  H     16.21432728     12.12929080    -10.05764919
  O     15.57177806     11.41486514    -10.12527523
  H     18.30336933      6.50729056    -15.51819516
  H     15.83546984      8.97397726    -15.03705893
  O     15.06749785      8.81413668    -14.46955563
  H     17.73734149     12.94442518    -15.91753688
  H     15.32088242      8.15042104    -13.81378684
          69
 Energy    -251.28033432853834     
  O     12.31893907      4.15258732    -10.84047404
  H     11.75460678      4.92100289    -10.99011711
  H     11.81347202     11.93734378    -10.77752745
  O     13.87165649      9.93982238    -15.72756943
  H     12.82464024      3.99772786    -11.64910928
  H     13.47339040     10.82604213    -12.48557048
  O     17.53490295      8.09832050    -13.69781763
  H     13.95644980     10.17444176    -14.78702765
  H     14.14487174      9.45506927    -12.66436320
  O     16.68563749      9.89317792     -9.85323425
  H     13.89559252     10.75649437    -16.21926036
  H     17.19169425      7.62418454    -11.98997724
  O     10.86113858      8.82369634    -12.14214458
  H     18.18915828      7.42271615    -13.91816621
  H     16.89545850      8.16580184    -10.55511611
  O     16.03550984      3.01924266    -14.86285400
  H     16.78445062      7.95774308    -14.29288785
  H     13.73664519      7.72709851    -11.02406121
  O     11.63122620      8.34237281    -14.76386580
  H     17.30998710     10.37139728     -9.31343703
  H     15.14865812      7.65186546    -11.64121450
  O     16.09698013      4.74641087    -10.91310625
  H     16.78174456     10.23240941    -10.76176900
  H     18.74974737      5.15547766    -13.72939378
  O     13.85205466     10.02357239     -9.26402375
  H     11.26643586      9.64045615    -11.83505948
  H     20.04099101      5.68502197    -14.39758975
  O     16.90843360      5.29839056    -16.06004816
  H     11.07004920      8.73360939    -13.08379672
  H     13.61715232      5.41865711    -13.70800071
  O     16.85911326     10.57752613    -12.47253172
  H     16.04280040      2.29526768    -15.48300566
  H     13.61217395      6.87279192    -13.19769136
  O     12.25362078     11.17183273    -11.13621968
  H     16.29302012      3.81689087    -15.35907475
  H     14.70887680      7.06855377    -14.95918752
  O     14.11340715     10.35232669    -13.03064129
  H     12.11561601      7.52141334    -14.59668989
  H     14.95596234      8.39631530    -15.70523818
  O     16.86991202      7.37641851    -11.11033193
  H     12.25030202      8.90996063    -15.23466144
  H     17.34069358      3.43177085    -13.50383895
  O     14.22522687      7.84202330    -11.84794176
  H     16.42596551      5.65742678    -10.93378157
  H     17.39116484      4.07228702    -12.10213602
  O     19.11040814      5.86354683    -14.29311936
  H     15.52334818      4.68207207    -10.14055590
  H      9.82280325      6.41477428    -10.47546458
  O     13.40729937      6.32273691    -13.97014373
  H     13.56098266      9.11175858     -9.12576235
  H     10.74687315      7.35323180    -11.28067070
  O     15.38927557      7.58445905    -15.41743628
  H     14.80265224      9.98525479     -9.42213303
  H     14.89905946      4.22734077    -12.23057003
  O     17.93079306      3.86809653    -12.87676781
  H     16.36813400      6.09751656    -16.00473057
  H     14.76818801      3.49885553    -13.58937462
  O     10.73222116      6.54967858    -10.72917056
  H     17.73482549      5.50903969    -15.60856444
  H     14.01267275      4.17377520     -8.13797185
  O     14.25728885      3.92240059    -12.88860727
  H     15.92953108     10.64428861    -12.73064011
  H     13.42816863      4.44734012     -9.54721263
  O     14.09983679      4.73779237     -8.90175272
  H     17.22363987      9.84045326    -12.97964422
  H     12.16678934      7.08720527     -9.69538211
  O     13.03434624      7.33768158     -9.34806187
  H     12.80622577     10.80500032    -10.42232572
  H     13.47207486      6.52017900     -9.08087567
          69
 Energy    -251.28032784907367     
  O     13.91983645      9.52733357     -9.69146744
  H     13.50185094      9.94256918     -8.94272833
  H     15.89870214      9.08281420    -15.72258052
  O     16.05474970     11.94447901    -12.59790568
  H     14.78882492      9.95750072     -9.80627194
  H     14.96176055      8.58617463    -12.60226686
  O     18.00090429     11.17636867    -14.59195700
  H     16.75174561     11.83786040    -13.25512524
  H     15.70097279      7.53032228    -11.77581122
  O     10.92399142      8.18627772    -15.51605547
  H     15.22798249     11.88325908    -13.09171178
  H     14.50057419      7.73717841     -9.87625188
  O     17.63590882      6.51822816    -10.20349794
  H     18.22089370     10.45476236    -13.97719506
  H     14.21317774      6.30711637    -10.43167627
  O     12.19465415      6.94997865    -13.32473564
  H     18.82548200     11.57315191    -14.86010317
  H     18.08207945      5.50472280    -13.19720290
  O     13.84264345     11.23625033    -14.25946303
  H     11.20379445      7.72511773    -14.71446635
  H     18.25804383      4.09478997    -12.59215418
  O     13.54746583      9.59181459    -17.57204261
  H     11.34764608      7.72169581    -16.24823057
  H     12.62826755      4.36883371    -10.95853121
  O     14.92669087      4.42690191    -13.12484849
  H     17.71113209      5.92481418    -10.96007678
  H     13.74090312      4.80990541    -11.94238710
  O     16.05979318      7.37006136    -15.20232779
  H     16.69333191      6.55742424     -9.98636095
  H     18.67259789      9.17991991    -11.91109120
  O     13.78113398      5.82324552    -15.35287511
  H     12.54178079      7.79592017    -13.00164128
  H     17.41807030      8.83358933    -12.72769422
  O     15.77163762     10.02801325    -15.89338233
  H     12.32394056      6.31543413    -12.61091473
  H     18.74870036      7.56254235    -13.81892888
  O     15.77938873      8.07324465    -12.56766329
  H     14.50880014     10.81841361    -14.82565686
  H     17.83433616      6.88661224    -14.84987810
  O     14.90834076      6.89289852    -10.10685116
  H     13.02104744     11.23423612    -14.76685636
  H     18.35706682      8.09878916    -10.07266109
  O     17.70742139      4.87378182    -12.55861341
  H     14.38576695      9.79423998    -17.13662929
  H     19.35408765      9.05485678     -9.37557515
  O     13.06419004      5.13607623    -11.31937854
  H     12.87939919     10.11311592    -17.11026471
  H     12.36844969      6.78657022    -18.46976453
  O     18.33500401      9.13849060    -12.81385635
  H     15.86808707      4.59390779    -12.99778332
  H     12.98364000      7.93495503    -17.63658790
  O     18.62652126      6.74170303    -14.31301516
  H     14.67935327      4.76864066    -13.99299357
  H     17.12968794     10.16812377    -10.11221849
  O     18.70232727      9.01027695    -10.06949256
  H     15.98779119      7.55131161    -14.25162078
  H     16.27535635     11.13912891    -10.98392743
  O     12.58159258      7.04957050    -17.57853342
  H     15.31072642      6.79785342    -15.40930877
  H     11.28347396      9.89285369    -15.67881688
  O     16.29691382     10.64913846    -10.14787940
  H     13.38403329      6.09542509    -16.18969711
  H     10.79640966     11.30312983    -16.08638422
  O     11.57623535     10.80444731    -15.85814103
  H     13.23382760      6.21812376    -14.65757437
  H     13.42018100     10.06546788    -12.96326169
  O     13.28247163      9.28609955    -12.40791461
  H     16.57205591     10.47521332    -15.59387664
  H     13.39114765      9.52115640    -11.47791001
          69
 Energy    -251.27866750726031     
  O     16.48529648     11.46164062    -10.46500118
  H     16.78238523     11.99278127     -9.72988010
  H     13.98671312      7.91427701    -13.95564261
  O     12.12045314      6.41280709    -11.61911916
  H     16.89087449     10.58215557    -10.35197648
  H     15.17345587      5.31791263    -15.92207532
  O     17.32240332     10.08059727    -14.88756914
  H     12.64089526      5.67972507    -11.96715754
  H     14.22657425      6.15446933    -15.01804226
  O     17.63878127      8.22969888    -12.86161816
  H     12.66557601      6.83265415    -10.93827323
  H     16.42848050      5.59324085    -14.28087538
  O     16.66469851     12.22130268    -13.14433039
  H     16.46877740      9.90072940    -15.30647498
  H     17.93123611      5.64339352    -14.64640303
  O     13.92641383      7.75237487     -9.98513280
  H     17.19460301     10.85786477    -14.33033224
  H     14.59847699      8.11425268    -11.66796962
  O     14.82748712      9.65620776    -16.15410305
  H     17.64009517      8.85158540    -13.60157101
  H     15.82605393      8.39452323    -12.58781078
  O     14.18948161     11.81416862    -14.59376240
  H     17.60228204      7.33583473    -13.22750202
  H     14.67574808     10.87661904    -10.09460821
  O     16.18593237      5.63038667    -17.36509586
  H     16.57785258     11.94764430    -12.21783429
  H     13.30947097     10.63118355    -10.75559958
  O     11.07299557      8.24586203    -13.30331752
  H     17.09189441     13.07535122    -13.13556663
  H     14.11093371      4.60383791    -13.56040431
  O     16.23324817      5.07838235    -11.35947430
  H     14.71718716      7.41001515     -9.55203734
  H     13.51556853      3.42450846    -12.76220429
  O     13.43869591      7.72457042    -14.73615174
  H     13.86084786      8.70216882     -9.80277563
  H     13.63261160      9.80703788    -12.58163661
  O     14.75196203      5.34156131    -15.05074468
  H     14.29888813      8.95795141    -15.74352946
  H     12.11085941      9.78969573    -12.80898745
  O     17.31453820      5.68863427    -13.90485103
  H     14.54757521     10.48944646    -15.74641765
  H     16.37230055      6.06200520     -9.93934366
  O     14.86519336      8.44087450    -12.53728555
  H     14.98151986     12.07250511    -14.10881589
  H     16.64981942      6.13427191     -8.41886752
  O     13.80023576     10.50669996     -9.93203664
  H     13.59229879     11.44248419    -13.92951799
  H     19.68452181      5.51413194    -16.55694266
  O     13.80147139      4.33154969    -12.68014338
  H     16.07354141      6.51363526    -17.73773001
  H     18.81243401      6.78796785    -16.44752396
  O     12.84609879     10.37506950    -12.59106781
  H     17.11075933      5.57699576    -17.09459527
  H     17.22416817      8.24938103     -9.76652479
  O     16.38429099      6.65923461     -9.16899538
  H     10.12666893      8.15300162    -13.36386801
  H     17.75596216      8.72574137    -11.13282482
  O     18.84071713      5.83431441    -16.25031207
  H     11.38276841      7.57204691    -12.66952360
  H     15.74162928      8.71340032    -19.09199681
  O     17.57676280      9.01920194    -10.22718929
  H     15.37190546      4.78422260    -11.67903759
  H     15.55932941      8.87614902    -17.56680277
  O     16.03276797      8.37193201    -18.25022851
  H     16.76795888      5.21145123    -12.15204654
  H     17.76549125      8.46141658    -17.46525164
  O     18.51996250      8.45607306    -16.86188233
  H     12.52814207      7.86864611    -14.45447370
  H     18.30048294      9.09679052    -16.17364931
          69
 Energy    -251.27864064177160     
  O     14.50792915     10.28508377    -11.72191265
  H     14.33427325      9.63201823    -12.42160802
  H     16.04154727      7.69788763    -16.59812161
  O     14.99471144      5.91201208    -13.34852799
  H     14.13923376     11.11753039    -12.03912564
  H     11.40334947     10.15693464    -14.32167257
  O     17.19681436      9.67790099    -11.87647323
  H     15.90338774      6.21741752    -13.22102346
  H     12.42005097     10.59937743    -15.39048908
  O     13.99219530      9.73634623    -16.06386198
  H     14.63853847      5.72231452    -12.47021382
  H     14.24693183      7.56744103    -13.56934624
  O     11.14840039      5.89608273    -14.53292360
  H     16.27508662      9.95439541    -11.77070451
  H     12.92554309      8.41370830    -13.54324229
  O     15.55571345      7.63859213     -8.22056017
  H     17.52247981     10.08855713    -12.68764143
  H     10.87168819      7.01034943    -11.00118089
  O     13.95427450      5.69343500    -10.80578749
  H     14.35681649      9.08403414    -16.67151180
  H      9.96789427      7.96864074    -10.18418128
  O     15.48227729     11.82862598    -14.97702705
  H     14.00684351      9.29995837    -15.19695787
  H     18.15560254      6.86422546     -9.96654620
  O     17.85792305     10.71881745    -14.38699794
  H     10.52106519      5.40584284    -15.05795672
  H     17.39915277      5.52874993     -9.90961457
  O     15.85222273      5.02015168     -8.85666574
  H     12.00050294      5.84596024    -15.00176986
  H     11.30215407      5.47480138    -12.64507622
  O     17.30906540      8.09245621    -15.45499532
  H     14.79603582      7.97890336     -8.71156579
  H     12.22119762      5.36549129    -11.39586210
  O     15.30522640      7.52554076    -17.21270191
  H     16.33416095      8.09599392     -8.56314758
  H     17.32838334      7.92353860    -12.54676692
  O     11.80461734     10.93739231    -14.72601595
  H     14.56605507      5.30713040    -10.16738736
  H     17.77850197      6.52407329    -12.08288252
  O     13.88930276      8.46255686    -13.60713513
  H     13.84082872      6.62088546    -10.55331381
  H     18.60847978      9.24464090     -9.01556591
  O     10.75112201      7.93872516    -10.72713459
  H     14.85209913     12.17320775    -14.33501212
  H     17.72055505      9.10988837    -10.27172565
  O     18.09832303      5.99492120    -10.38300970
  H     14.99908109     11.16453888    -15.48947246
  H     14.08450823      6.33610900    -16.29946441
  O     11.30288378      5.47471207    -11.68045359
  H     18.56325192     11.26696966    -14.72009088
  H     14.14106679      5.64761722    -14.92467507
  O     17.46779229      7.01848877    -12.85492896
  H     17.02227327     11.17160899    -14.60320189
  H     13.81300999      9.09359107    -10.51999249
  O     17.92247829      8.71098195     -9.40915892
  H     15.87036200      4.44566256     -8.09619479
  H     12.51785267      8.32168688    -10.14329896
  O     13.58146839      5.76697555    -15.70682939
  H     15.74604691      5.93011995     -8.52257843
  H     12.98463973     13.30769037    -12.94320203
  O     13.47040175      8.35786642     -9.99392796
  H     17.46894447      7.56871663    -14.65946727
  H     12.75177472     11.96019948    -13.66533948
  O     13.37882097     12.45551863    -13.10768487
  H     17.52054587      8.99959180    -15.20630694
  H     10.89669039      8.39974768    -12.54549841
  O     11.10506095      8.49357792    -13.48343823
  H     15.69994429      7.28501531    -18.04671089
  H     10.98945177      7.62616528    -13.89582593
          69
 Energy    -251.27834994805733     
  O     -2.74351865      3.05647830      3.96611038
  H     -3.40997894      3.04678909      4.64801717
  H     -0.98505764      6.14640090     -1.38649570
  O     -3.81395054      1.90350701     -2.40544333
  H     -2.59192108      3.99050856      3.73185621
  H     -0.29498292      4.07865491     -1.91131559
  O     -1.79810377      2.67935884     -4.28482311
  H     -3.83465099      2.61878652     -1.75862750
  H     -1.34358297      3.99661716     -3.04424578
  O     -3.27174380      6.55681499      0.70848190
  H     -3.25144216      2.21682574     -3.12565796
  H      1.29131419      3.22559757      4.58493965
  O     -1.29037974     -0.01460322      0.32407331
  H     -1.78593549      2.70866887     -5.23759058
  H      2.48070004      3.88022022      5.32569920
  O      1.08695748      0.47010073     -1.13653158
  H     -1.29747892      1.88599070     -4.02166718
  H      0.34537615      2.35383022      1.78002609
  O      1.40976123      7.06792451      0.70625615
  H     -3.84883703      7.30719427      0.59476704
  H     -0.99763457      2.91922491      1.29664805
  O     -0.05868107      2.12138154      4.58270642
  H     -2.46343328      6.74310259      0.19524745
  H     -2.52848444      4.17552593     -1.13860227
  O     -2.84920034     -0.60042856     -1.94132750
  H     -1.81746369      0.71747719      0.67989154
  H     -3.46599230      4.88018290     -0.13291584
  O      0.54363604      0.50734270      2.39061171
  H     -1.81539069     -0.38180535     -0.39718350
  H     -1.26822670      5.66839203      3.07906131
  O      3.28488761      2.85488421      2.04829363
  H      1.81829614      0.37618902     -0.51381098
  H     -2.61230842      5.94606079      2.35998664
  O     -1.03291493      6.87270356     -0.75058872
  H      0.27559481      0.32108671     -0.62865148
  H     -2.83594612      2.42361511      2.22874748
  O     -1.10523890      4.48875667     -2.24976840
  H      1.75932242      7.89433863      1.03112759
  H     -3.01713440      2.81685254      0.71037441
  O      2.03523876      3.84689945      4.48361428
  H      1.12081416      6.55988896      1.48395373
  H      0.32473145      4.65707517      2.18724172
  O     -0.05782620      3.12760712      1.36757812
  H      0.12512008      1.42509022      3.93598868
  H      1.11528570      5.08796427      3.43076180
  O     -3.30432541      4.03805481     -0.57427334
  H     -0.96269314      2.41241261      4.41812370
  H      2.49822325      4.28973870     -0.51412636
  O     -2.22610295      5.57281719      3.16159877
  H     -3.50800915     -1.25331220     -2.16160947
  H      2.62006934      5.63471196      0.21634101
  O     -2.66241191      2.15241970      1.31818896
  H     -3.26728843      0.27170975     -2.05914203
  H      0.70090189      3.29736293     -0.23360402
  O      0.55495633      5.43224245      2.72485345
  H     -0.10809168      0.15263588      1.77106297
  H      1.16012951      2.31458395     -1.31757334
  O      3.07172964      4.79489530      0.07862808
  H      1.41378996      0.33938688      2.00729366
  H      0.12187743      0.38148088     -2.76197251
  O      1.06548056      3.25659524     -1.13191130
  H      2.94027569      3.20316897      2.87629125
  H     -1.32988734     -0.07378749     -2.99009744
  O     -0.59974002      0.40478742     -3.40308063
  H      3.28138932      3.58219400      1.40791972
  H      3.78825338     -0.08890352      1.08317187
  O      2.97984418      0.40696846      0.98772712
  H     -0.15907705      6.96241304     -0.35243652
  H      3.15310111      1.29742107      1.34692423
          69
 Energy    -251.27799322533639     
  O     11.32771174      7.78180016    -14.64303522
  H     12.00930315      7.40313379    -15.21643135
  H     17.23332062      6.28914883    -14.43723009
  O     16.97019884      7.37191309    -12.97566152
  H     11.30713411      8.72341333    -14.84674922
  H     14.00294053      9.78836786    -17.46414092
  O     15.59839933     11.70333104    -12.76676161
  H     17.39829954      8.22417231    -12.82500500
  H     14.48070835     10.92711087    -16.55633237
  O     15.98593380     10.98341328    -15.42171893
  H     16.46025310      7.16176138    -12.18124900
  H     15.60535077      8.10891155    -13.93648186
  O     14.63931166      4.53676279    -15.05083762
  H     14.72402997     11.28832322    -12.71465069
  H     14.42879677      8.00786679    -14.95485154
  O     14.54615935      9.79974808     -8.79024345
  H     15.79064567     11.73709983    -13.71312704
  H     11.36776213      7.08995330    -13.05934083
  O     15.33143477      6.90670567    -10.80207790
  H     16.92048989     10.81989144    -15.59189032
  H     10.59892299      6.28856061    -11.98236288
  O     13.26397062     10.27271421    -12.98835213
  H     15.61984777     10.13186151    -15.13014627
  H     17.43005590     10.73184321     -9.85829116
  O     17.28354583      8.03321674    -16.96384717
  H     14.50078528      3.60157848    -15.17370374
  H     17.69832528      9.27062384     -9.46223326
  O     16.56861113      8.01377885     -8.52696059
  H     14.38327537      4.73950561    -14.13260711
  H     13.00896667      5.62956240    -12.43290975
  O     18.64996487     10.04921300    -15.35624227
  H     14.91209225     10.59264591     -9.20097540
  H     14.45080565      5.62804228    -11.89619886
  O     17.17890205      5.84778574    -15.29694358
  H     13.90793060      9.42915885     -9.41490788
  H     18.15126831      9.95549151    -11.73719238
  O     13.69365653     10.56778923    -16.98697150
  H     15.81880047      7.12589351     -9.99893495
  H     17.11432679     10.52309991    -12.72720570
  O     14.90641613      8.61107717    -14.37305848
  H     14.57065004      7.50450087    -10.83068785
  H     15.84671659     11.97532395    -11.01043641
  O     11.44634424      6.67857686    -12.17936112
  H     12.59097149     10.51730942    -13.63358060
  H     15.97058684     12.88762509     -9.77223800
  O     18.06756148     10.01290525     -9.95559121
  H     13.82531623      9.61609904    -13.43580137
  H     15.75802235      8.18554243    -17.74012709
  O     13.87105739      5.21053410    -12.54484324
  H     17.29666688      7.21713336    -16.43928665
  H     14.98125752      8.04408514    -19.06991354
  O     17.91530652      9.98653837    -12.67656137
  H     17.81100463      8.67345786    -16.47759431
  H     13.08138619      9.24249577    -11.53738548
  O     15.95237226     11.97326204    -10.04520623
  H     16.69307933      7.71564019     -7.63000676
  H     12.42446236      7.90370222    -11.15584807
  O     14.86824229      8.21337828    -18.13864999
  H     15.82905024      8.64923688     -8.51427837
  H     12.31948580     10.57511857    -15.89915111
  O     13.05549382      8.56527136    -10.84587185
  H     19.55385888     10.32318467    -15.49122317
  H     10.93703503     11.17566014    -15.55912710
  O     11.60474260     10.57603574    -15.23751141
  H     18.51842865      9.99692873    -14.39536528
  H     13.94804953      7.21162670    -16.88655900
  O     13.52064079      6.87562915    -16.08819569
  H     16.38096675      5.30871612    -15.25892307
  H     13.90964944      6.02036172    -15.86197053
          69
 Energy    -251.27765588357460     
  O     16.72229970      9.88881814    -11.15577622
  H     17.00053825     10.38397282    -10.37574658
  H     14.10698098      8.10603373     -5.05366473
  O     14.66011645      4.13942301     -8.28378640
  H     17.49179800      9.45128655    -11.54857240
  H     16.88568735      4.78463620    -15.36067809
  O     17.32587778     10.96348379     -8.61135565
  H     14.88905613      4.52069335     -9.14789252
  H     15.88052413      5.71864081    -14.64415983
  O     12.78050306      6.19208974     -7.71109792
  H     14.62590338      3.19341891     -8.40092145
  H     14.50189219      5.81731444    -11.14991414
  O     14.27245604      9.44861074    -12.29830447
  H     18.05794396     10.33509858     -8.47015176
  H     15.53358954      6.28933769    -10.11346221
  O     18.66259462      8.29019351    -12.24464591
  H     17.64619732     11.82263549     -8.34979921
  H     17.96263357      8.40471001    -13.99675789
  O     20.87627792      8.10223033    -10.52965979
  H     13.33767272      5.41985127     -7.86703821
  H     17.34681809      7.30153982    -14.87420034
  O     17.64410786      5.67725967    -12.01733696
  H     13.23019176      6.71492705     -7.03639425
  H     14.79878104      9.71826936    -15.80457745
  O     11.53008090      7.35223156     -9.80151158
  H     14.38293440      9.46728783    -13.25654090
  H     15.83066843      8.92542249    -14.96718341
  O     13.05837682      9.78088032     -9.74802173
  H     15.14044184      9.66054960    -11.92292278
  H     16.35700213      8.41445648    -10.10880179
  O     14.91370105      9.66282332     -7.75233953
  H     19.49476653      8.32043684    -11.75748814
  H     15.59533797      8.27414631     -8.78210365
  O     14.33967555      7.73631655     -5.90185208
  H     18.30405531      7.39758885    -12.12862858
  H     19.91722537      8.92751220     -9.07553198
  O     16.81902795      5.46079795    -14.69200252
  H     21.82223887      8.04252735    -10.62934438
  H     18.98710896      8.29558257     -8.02879851
  O     15.22930802      5.50334393    -10.59694465
  H     20.55424722      7.19961080    -10.34622639
  H     15.60905687      6.28648172     -6.07255525
  O     17.44030950      8.25937866    -14.79567159
  H     17.44440966      5.49974763    -12.94538694
  H     15.71215679      4.99800722     -6.90831133
  O     14.88906934      9.16723700    -15.03195813
  H     16.82184733      5.52961474    -11.53151142
  H     12.55877510      6.94354807    -11.30689270
  O     16.10419891      7.77487820     -9.43185727
  H     10.58831639      7.27226118     -9.67626715
  H     13.63292632      7.74803749    -12.07018863
  O     19.30630249      9.14579969     -8.36237753
  H     11.95261313      6.91762020     -9.03892916
  H     19.20673532      5.89150853     -9.24038031
  O     16.20410635      5.56109322     -6.29796722
  H     13.39477049      9.81731664    -10.65244912
  H     19.05706884      5.52341837    -10.73636256
  O     13.24623414      6.86382439    -11.97939882
  H     12.45941530      9.02450423     -9.72656133
  H     17.62987980      6.20320218     -7.23795164
  O     19.70819408      5.71324877    -10.04935855
  H     15.68318247     10.20167671     -7.97110327
  H     17.47840597      7.04388493     -8.51205362
  O     18.14083618      6.64410291     -7.92930513
  H     14.22823822      9.81533560     -8.42412484
  H     13.80631012      6.42305926    -13.70980747
  O     14.28026547      6.40568246    -14.55159041
  H     14.55115264      8.48556928     -6.48388077
  H     14.35959696      7.32851320    -14.82448912
          69
 Energy    -251.27706043447688     
  O     10.73644323     10.42230611    -10.26119885
  H     11.52730635     10.82390431     -9.85823731
  H     12.99595069     13.92763769    -15.84719448
  O     14.67727244     10.95028634    -12.83688756
  H     10.10210999     10.30038217     -9.56003831
  H     17.51390318     11.48640640    -17.65935472
  O     16.60470039     13.56480363    -14.90847430
  H     15.58506092     11.28424454    -12.84349464
  H     16.16085802     11.35393807    -16.92525783
  O     10.60359370     11.55290595    -12.82952268
  H     14.65086839     10.18396828    -12.25081359
  H     13.75388129     14.88170841    -10.23039796
  O     11.34960475     14.15766457    -16.69394877
  H     16.88681127     12.94339156    -15.59110135
  H     13.54434813     13.73105925    -11.24170646
  O     14.37434221     11.31836215    -16.83212842
  H     15.67076352     13.73774924    -15.07971390
  H     17.64494242     10.46308892    -13.81059483
  O     15.41785850     10.05484224     -9.24455042
  H     10.87159388     10.78846439    -13.36167843
  H     17.52318390     10.23123562    -15.32341272
  O     12.95159600     13.01868593    -12.76002906
  H     10.52268867     11.23547472    -11.92179435
  H     15.63925582     13.12061995    -10.25508813
  O     14.03553838      9.33823878    -14.94865500
  H     10.70963575     13.68382001    -16.13231064
  H     16.17002446     11.73057796     -9.86195427
  O     12.97417982     11.51439289     -9.22400026
  H     10.91421489     14.94802355    -17.00151043
  H     10.80821784      9.50332407    -15.17097564
  O      9.95358109     10.17074519    -16.68669206
  H     14.23668102     10.54741545    -16.26264882
  H     12.25315003      9.29041096    -14.64798855
  O     13.76720030     13.61339915    -15.35877389
  H     14.17471987     12.10537472    -16.30226309
  H     16.47304662      6.86511720    -14.02440032
  O     17.12142965     11.41621827    -16.79264825
  H     15.83983282      9.54398079     -8.55800564
  H     16.64873908      8.40305739    -14.04458239
  O     13.90341006     13.94946412    -10.36525591
  H     15.23438395      9.44125452     -9.97546022
  H     11.66379334     12.55380201    -17.71571072
  O     17.61392391      9.76728924    -14.48312139
  H     12.06949333     12.62498318    -12.77534946
  H     12.73960193     11.45532294    -17.75764331
  O     16.43478666     12.57488363    -10.24714332
  H     13.57760961     12.27516529    -12.74915024
  H     11.71359862      8.54628399    -12.67820421
  O     11.32623093      9.33823891    -14.37348336
  H     14.23785101     10.00192978    -14.26891252
  H     11.56105324      8.98752890    -11.21169474
  O     16.03084123      7.68334263    -13.81620599
  H     14.62078758      8.59884690    -14.75110524
  H     17.10186604     12.64874829    -13.42338481
  O     11.82262862     11.64373295    -17.99602530
  H     13.78338331     10.99592135     -9.13893964
  H     17.11301128     12.26328005    -11.89014637
  O     12.04192519      8.37882756    -11.78604379
  H     13.24887104     12.39277735     -9.51398645
  H      9.58019537     11.80333534    -15.72191907
  O     17.25682838     11.93305087    -12.78823592
  H      9.36741704      9.74157377    -17.30408370
  H      9.85132646     12.38540843    -14.32458354
  O      9.64132735     12.63418368    -15.23430801
  H     10.62724645     10.63569822    -17.21472584
  H     13.78675176      8.37886558    -11.53004638
  O     14.73829819      8.54468745    -11.42680543
  H     13.47475746     13.48305783    -14.44595254
  H     15.20037212      8.13926349    -12.17050849
          69
 Energy    -251.26992240267373     
  O     12.14829558      9.81122215    -11.03324975
  H     11.45741859     10.48312161    -11.06779924
  H     13.78979313      8.15872954    -13.16939458
  O     12.00262036      7.88286703    -13.05893580
  H     12.07067654      9.24821174    -11.81389156
  H     14.32518361     14.56940475     -8.87003794
  O      8.68564304     10.07896618    -12.35633090
  H     11.33201306      8.22100505    -13.66460837
  H     14.68626041     14.92766204     -7.40942248
  O     14.56610402     10.71299409    -10.22685972
  H     11.57493557      7.29753036    -12.41558632
  H     10.44235338     12.23189528     -9.46392026
  O     15.36061929      7.99720007    -10.32547468
  H      8.68285285      9.38051911    -11.68924812
  H     11.51911192     12.11409164     -8.34590024
  O     11.88636041     15.80005269    -11.29259003
  H      9.11011605      9.72252478    -13.14609811
  H     12.73706800      8.18486178     -8.32626455
  O      8.74951045      8.23486989    -10.16258241
  H     13.70044296     10.45037775    -10.58574909
  H     12.47336564      8.51424842     -9.81030040
  O     11.99409909     13.40820808    -12.75948754
  H     15.08586921      9.90251149    -10.19883583
  H     12.56942428      9.28116892     -5.91630250
  O     14.52095017     14.91218646    -10.56890342
  H     15.96450398      7.33343027    -10.00264038
  H     12.77865451     10.17949370     -7.15527084
  O     10.90548536      6.55360401    -10.92331948
  H     14.50130008      7.82094927     -9.90658693
  H     14.71073581     12.00133211    -11.48075064
  O     11.39878671     15.03574433     -8.73022634
  H     11.62623155     15.55207929    -10.38723415
  H     14.79490435     12.11507969    -13.01735941
  O     14.70349065      8.47593639    -13.11074647
  H     11.52616034     16.66783957    -11.45379682
  H     10.79725398     10.04227518    -14.69856487
  O     14.09742175     14.39615190     -7.93841640
  H      9.13022097      8.74813853     -9.42852822
  H      9.82369232      9.16812155    -15.52626509
  O     10.59593739     12.34708354     -8.51111392
  H      7.90818803      7.90754129     -9.85256260
  H      9.64318052     11.37267959    -11.64387592
  O     12.82882089      7.83097361     -9.21870150
  H     12.89932123     13.13726145    -12.54873194
  H     10.80705108     12.43410817    -11.78908792
  O     12.43474632      9.31980098     -6.85987071
  H     11.87676721     14.28406410    -12.37077371
  H      9.90191537     10.62076855     -8.19012433
  O     14.64231629     12.62911828    -12.21453897
  H     13.71180148     15.32993775    -10.88908133
  H     10.61934808      9.40188407     -7.61198449
  O     10.18594854      9.28397821    -14.65210678
  H     14.70899573     14.19195043    -11.18471277
  H     11.85287661     12.11613878    -14.12714087
  O     10.31183954     11.88656376    -11.16676485
  H     10.12151913      7.06183864    -10.67438592
  H     12.90911589     11.13005849    -14.65592067
  O      9.83282221      9.66084152     -8.10305851
  H     11.55839150      6.73300470    -10.23595886
  H     15.38111456     10.78491353    -15.12726470
  O     11.96355122     11.32139004    -14.66393529
  H     12.26904555     14.92682244     -8.32867720
  H     14.79640960      9.99289321    -13.93410209
  O     14.78015819     10.85375135    -14.39015227
  H     10.94800133     14.19115637     -8.59761883
  H     13.62166790     12.61158382     -7.81825576
  O     13.33354628     11.69924850     -7.94922687
  H     15.00369349      8.26717614    -12.22023096
  H     13.82079572     11.36861496     -8.71775908
          69
 Energy    -251.26914721477800     
  O     15.83089124     11.93865204    -10.99803095
  H     16.17532955     12.69828590    -10.53438026
  H     12.65292076      7.33158553    -14.42835749
  O     12.24756594      6.33746508    -11.40080532
  H     16.37149010     11.17704151    -10.71997459
  H     15.57448361      4.85292548    -15.38956669
  O     17.24209906      9.90026078    -15.19951052
  H     12.70718573      6.91758310    -10.77662698
  H     14.55928633      5.77789255    -14.66445331
  O     17.54988520      8.55879911    -12.78206123
  H     12.85821559      5.61902558    -11.60176147
  H     16.72634165      5.58795037    -13.68373888
  O     16.12574788     11.97928521    -13.84817944
  H     17.01012169     10.71719428    -14.73227868
  H     18.20805011      5.79358554    -14.04897647
  O     13.80017155      8.11627933     -9.94272300
  H     16.41716041      9.57692076    -15.58731583
  H     14.51924501      8.28157711    -11.63548016
  O     14.76147232      9.17478275    -16.30116747
  H     17.55239547      9.01585408    -13.63283294
  H     15.73471942      8.57743675    -12.57074986
  O     13.59054474     11.51805480    -15.17180083
  H     17.64112036      7.61224742    -12.95708897
  H     14.14169894     11.24585347    -10.53971334
  O     16.48069513      4.89033891    -17.00169102
  H     15.24974459     11.95380089    -14.25082940
  H     12.85438377     10.74119522    -11.21067648
  O     11.09900885      7.72942838    -13.39992004
  H     15.99431182     11.98191334    -12.89204452
  H     14.50927549      4.47133372    -12.95200979
  O     16.45016848      5.54504656    -10.75405142
  H     13.60506368      9.06568187     -9.92333218
  H     14.03708195      3.37963465    -11.96861812
  O     13.58827196      7.26832153    -14.65189948
  H     14.60384126      7.95612240     -9.43385830
  H     13.42803475      9.67429606    -12.85621479
  O     15.15178492      5.02144167    -14.53799886
  H     14.30386169      8.48406380    -15.80077189
  H     11.93905330      9.41879421    -13.16608472
  O     17.58023008      5.84774775    -13.31409958
  H     14.33687664     10.00932557    -16.06835958
  H     16.41621085      6.77268135     -9.53107149
  O     14.77471073      8.49627482    -12.54195168
  H     13.14240334     11.08480958    -14.42527056
  H     16.63817498      7.15887247     -8.04918305
  O     13.30604264     10.79457789    -10.35994492
  H     13.00490161     12.20159468    -15.48758635
  H     18.19602529      5.39708860    -16.20160561
  O     14.18660182      4.31920071    -12.04860439
  H     16.38932083      5.79553691    -17.35054246
  H     19.01322010      6.69577459    -16.08301816
  O     12.58911188     10.12285869    -13.05078281
  H     16.44796265      4.30276621    -17.75200218
  H     17.01227118      9.04871037     -9.74074645
  O     16.32349042      7.49548698     -8.88371866
  H     11.45199670      7.21167670    -12.65174104
  H     17.54466655      9.36240867    -11.15344326
  O     18.91645632      5.81061832    -15.71034196
  H     10.17721067      7.50243435    -13.48052552
  H     17.27545179      7.82449848    -17.65621820
  O     17.29027247      9.77215147    -10.31374085
  H     15.64485366      5.10939369    -11.05565316
  H     15.76562202      8.08571495    -17.46708461
  O     16.40004555      7.46346604    -17.84535329
  H     17.01370269      5.61011368    -11.53595695
  H     18.40411309      9.04702383    -16.23152947
  O     18.88597006      8.46050727    -16.83921028
  H     14.06373239      7.64358155    -13.89083821
  H     19.59950228      8.97531072    -17.20753409
          69
 Energy    -251.26656669133405     
  O     10.97744629     10.89569667    -11.91149316
  H     10.45365554     10.43131144    -12.57665902
  H     15.87674539      6.02571695    -16.88049544
  O     13.55611701      7.15554990    -15.10429097
  H     11.76019891     11.22288841    -12.37268385
  H     17.81088183      7.11976447    -16.45792617
  O     17.79268177     10.32181757    -12.26943095
  H     14.29101870      7.69811220    -14.77210588
  H     17.53069889      6.20640839    -15.24429742
  O     18.15810539      8.91852552    -16.93915996
  H     13.90071666      6.67670617    -15.86706232
  H     14.73252596     11.90086023    -15.97849112
  O     12.09331541      9.51015795    -15.23050637
  H     16.87395214     10.37768088    -11.96857295
  H     15.23309305     13.32490814    -15.62252734
  O     16.14271004      6.74332050    -10.06150287
  H     18.12471352      9.49309572    -11.90607653
  H     15.37943992      9.02150928    -13.21436575
  O     13.09401169      6.24399799    -12.52821583
  H     17.94369620      9.56297653    -16.24315596
  H     16.14238598      9.21700210    -14.53650684
  O     15.04653558     10.08086323    -11.77588244
  H     18.92002261      9.25891454    -17.40133469
  H     10.69493667      9.38995867     -9.12734194
  O     15.45997925      8.79217306    -17.94704124
  H     12.52101897      8.64247576    -15.24380423
  H     11.10918974      9.79995475    -10.56170004
  O     15.49384907      4.79630611    -12.09590911
  H     11.21504533      9.38612076    -14.85081022
  H     11.31342668      6.76180985    -12.17603146
  O     17.32327389     10.59503651    -14.96020086
  H     15.92362067      5.96451026    -10.58668588
  H     10.64361863      7.74740431    -11.19372177
  O     14.97112823      6.02940385    -17.23956851
  H     15.32521851      7.25675189    -10.01809630
  H     17.82269548      6.83142673    -12.71734867
  O     17.47405694      6.24961273    -16.20725599
  H     13.81753597      5.62890039    -12.35798558
  H     16.65430874      7.19978431    -13.65507718
  O     15.20570539     12.42653119    -15.30463626
  H     13.17948099      6.51482838    -13.45382578
  H     17.63188482      7.43290328    -10.70014842
  O     15.59836561      8.58671686    -14.04971497
  H     14.56990445      9.44376719    -11.22774218
  H     19.16828892      7.56459118    -10.59447520
  O     11.16487486      9.08740417     -9.89931708
  H     14.39198151     10.59071181    -12.27362791
  H     14.39841462     10.13852180    -17.39886352
  O     10.49346849      7.24205368    -12.00241862
  H     16.39381215      8.85386656    -17.71481628
  H     13.14304182     10.40818665    -16.52963413
  O     17.24893536      6.47464097    -13.40689883
  H     15.21464402      7.87132432    -17.80376025
  H     13.46828234      7.45892433    -11.19677876
  O     18.43097291      7.71600362    -11.18009994
  H     16.12827192      5.30901057    -12.62478545
  H     12.85993208      8.40833288    -10.13153547
  O     13.87050374     10.84160709    -16.99226865
  H     15.73343641      3.87800106    -12.19243544
  H     13.91593316     11.85713761    -14.01465620
  O     13.69297923      8.05763367    -10.46986837
  H     17.60156507     10.57180396    -14.03071698
  H     12.89905351     10.69525869    -14.08649379
  O     13.28487004     11.35270323    -13.48806359
  H     16.67165598     11.30010297    -15.06372087
  H      9.94842161      8.39491990    -13.19819954
  O      9.71545564      9.13073987    -13.79250192
  H     14.92522936      5.32506742    -17.88028292
  H      8.80181350      9.01075121    -14.03651553
          69
 Energy    -251.26476474373618     
  O     11.45312168      6.50743732    -12.97521560
  H     11.91665303      5.69667699    -13.21369854
  H     14.47609548      6.22678129    -15.35928133
  O     17.51935756     10.05188537    -14.44166057
  H     11.86102437      6.79615189    -12.14559163
  H     16.20423005      5.78846714    -13.82612257
  O     17.09488129      8.50967223    -12.19871034
  H     16.84968426      9.82787932    -15.10274939
  H     17.73496005      5.78297453    -13.62805687
  O     16.68802323     12.61886963    -13.68586381
  H     17.35628969     10.96949544    -14.18905048
  H     13.91489627      8.13159721    -12.19282107
  O     13.07141007      7.26032959    -10.86749866
  H     17.34642284      9.04841903    -12.96274803
  H     15.31812432      8.65134528    -12.62514247
  O     15.58093313      9.55754256    -16.44355877
  H     17.08552091      7.58348799    -12.47877967
  H     14.77736012      9.55577816     -9.45687422
  O     14.49533303     11.81799505    -15.35368644
  H     16.33486867     12.46870407    -12.79030722
  H     13.44078265     10.21060943     -9.85375105
  O     17.13478687      5.51709829    -16.83818843
  H     17.11084896     13.47321811    -13.67619043
  H     13.80874927      4.56414677    -14.14363959
  O     11.05238421      8.55352091    -14.69338524
  H     13.71713327      6.53885494    -10.82437039
  H     12.97406225      3.33558249    -13.71818690
  O     14.82279258      5.18342539    -11.31247243
  H     13.29454503      7.93610965    -10.21227374
  H     13.34248512      9.99421540    -13.25534412
  O     13.69635361      7.83523390    -15.39940234
  H     14.91794483      8.90192481    -16.18682843
  H     11.96094465     10.07455197    -13.92248869
  O     14.96504888      5.41123441    -15.17899104
  H     15.20315012     10.42060050    -16.21676166
  H     20.04302006      5.37656519    -14.76210615
  O     16.89855946      5.93110120    -13.16825705
  H     15.18198825     12.20263142    -14.79489035
  H     19.28831530      6.68407567    -15.10353220
  O     14.39022116      8.62112833    -12.87905032
  H     13.79340810     11.52570699    -14.75893420
  H     17.31987843      9.66941097     -9.21624879
  O     13.81987372      9.45025519     -9.39675997
  H     17.21321718      6.36414496    -17.29405119
  H     16.85349428      9.30415289    -10.64431760
  O     13.17053518      4.23969809    -13.48555366
  H     17.88178008      5.47585649    -16.22838016
  H     17.43985551      8.45390241    -18.83176499
  O     12.64002245     10.61726689    -13.50487895
  H     10.18329715      8.49152308    -15.07947913
  H     16.74910566      8.70653298    -17.47319760
  O     19.17262456      5.76230599    -14.81030185
  H     11.13046487      7.81606654    -14.05920370
  H     16.05667060     11.39988931    -10.71042899
  O     16.62851058      9.82502963     -9.85464508
  H     14.24825222      4.74447016    -11.95321263
  H     14.72241078     12.05862642    -11.12077025
  O     17.42401104      8.16905154    -17.92158212
  H     15.64164240      5.36979982    -11.78669016
  H     18.79405842      8.27358604    -16.59427913
  O     15.67777432     12.10698705    -11.24686549
  H     12.75490190      8.03970723    -15.40454117
  H     18.84597870      8.98327221    -15.23488303
  O     19.28137680      8.29983262    -15.76075381
  H     13.99859720      8.05074458    -14.50120571
  H     12.68644083     11.36917785    -11.87533652
  O     12.87892586     11.69307526    -10.98013813
  H     15.66819587      5.34410338    -15.84102773
  H     12.16686645     12.28161944    -10.74172698
          69
 Energy    -251.26443395726130     
  O     15.24722191     11.39515804    -10.61375469
  H     15.95963105     11.35955314    -11.26881561
  H     18.46803186      8.24506941    -10.30927289
  O     15.03695134      7.53152800    -15.33717579
  H     15.45261162     10.71929548     -9.95972806
  H     15.66516639      8.15746512    -13.73935462
  O     14.45970903      5.19498761    -11.42944466
  H     14.13208996      7.86390010    -15.27281842
  H     17.01027229      7.97787706    -13.01685651
  O     16.57086432     11.46194187    -15.31407905
  H     15.04411583      6.62038732    -15.01281174
  H     13.76487695     11.54804208    -11.50643748
  O     10.56092972      6.62126198    -12.50099140
  H     14.34969062      6.12227645    -11.17103307
  H     12.53134539     12.42205496    -11.83247169
  O     12.51865322      8.59295352    -14.89142318
  H     13.57654624      4.80748187    -11.45993028
  H     13.46705113      4.48265746    -14.60761781
  O     14.36782044      7.87581276    -10.87297676
  H     16.63041247     12.19564665    -15.92004352
  H     12.26630382      4.18533853    -13.69178267
  O     10.85576834      6.38534763    -15.35295144
  H     15.62238654     11.31826186    -15.14317026
  H     13.63612241     11.30691963    -13.83082643
  O     18.66675851      7.52107474    -13.78724725
  H     10.49926187      6.59328993    -13.46384930
  H     13.43319813     10.26672983    -14.94711234
  O     17.47815272      8.78172496    -15.92261124
  H     10.98536925      7.46219207    -12.28496972
  H     16.29453478      5.18802706    -11.04813392
  O     17.99266203      4.77253687    -13.61362837
  H     11.89955328      7.91147543    -15.18079225
  H     17.45132359      6.10420383    -10.56648295
  O     18.07008062      7.70798723     -9.59952794
  H     12.39251511      8.68536216    -13.93594347
  H     14.94683758      5.11185095    -13.20706415
  O     16.11006167      8.30580082    -12.89422253
  H     14.72673738      8.29063645    -10.08131963
  H     16.15807836      4.84703495    -14.12497379
  O     12.96631271     11.60482390    -12.06097521
  H     15.00419120      8.04654781    -11.58805461
  H     11.33714523      5.14787270    -11.98504123
  O     12.50877195      4.36173142    -14.60938093
  H     11.45829255      5.64109550    -15.17351827
  H     11.22505833      3.74148439    -11.34893899
  O     13.95527864     11.03998992    -14.70123642
  H     10.26742788      6.10233482    -16.04744090
  H     18.58654108      9.92228646    -11.89136442
  O     17.25525856      5.29911025    -11.05669293
  H     18.54071453      6.56945668    -13.87106291
  H     19.16356951      8.58304590    -12.38921669
  O     15.20973665      5.02161694    -14.13484370
  H     18.36860633      7.94239360    -14.60932971
  H     12.27541688      9.87318497    -12.07270494
  O     11.82188085      4.31958718    -11.81625107
  H     17.26642242      9.71239975    -15.78418849
  H     12.88114038      8.52032815    -11.64291772
  O     19.10674974      9.15841597    -11.61168656
  H     16.62679188      8.32145532    -15.91403550
  H     15.78319197      9.20263256     -7.90062946
  O     12.14763675      8.91843219    -12.13390217
  H     17.79859004      4.91715535    -12.66896671
  H     16.63314678      8.66405755     -9.07394100
  O     15.82713462      9.15855812     -8.85277446
  H     18.55948688      4.00749967    -13.66598411
  H     16.68825717     10.01714566    -12.68540362
  O     17.10370626     10.89079272    -12.61233355
  H     18.79033702      7.41862090     -9.04424825
  H     17.06747105     11.25697692    -13.50375622
          69
 Energy    -251.26255075958110     
  O     -1.32081563     -0.85491595      5.04091499
  H     -0.64979326     -0.15818237      5.07305566
  H      2.48028074     -2.80745602      2.39111189
  O     -0.67097288      2.96951687      6.98471473
  H     -1.21044543     -1.33680632      4.20863227
  H      1.74875052      1.16898200      0.79740392
  O     -5.65907357      0.15139944      0.95988910
  H     -0.33313036      3.39623512      7.76718787
  H      2.69245796      2.39289657      0.71812562
  O     -5.21839179     -1.16007948      3.41014068
  H     -1.47051487      2.48032749      7.25146282
  H      0.58982597      2.64450119      2.18885695
  O     -0.99955595     -2.03753932      2.56145869
  H     -5.70187765     -0.28609205      1.82199968
  H     -0.95672956      2.54376512      2.14451869
  O     -3.65756902     -3.07175024      2.14816677
  H     -5.51882439      1.08772159      1.13644337
  H      0.23806193     -0.42557094      0.02429999
  O     -3.01854367     -1.21171787      7.13596517
  H     -4.51258516     -0.49815789      3.47939776
  H      1.45490250     -1.05539879      0.73079653
  O     -2.90409273      1.59268389      7.59706443
  H     -4.78925298     -1.95573827      3.06465502
  H     -1.42587143      3.85808987      5.47126599
  O     -5.50682078      2.19812235      6.59399884
  H     -1.22042940     -1.48617498      1.79763206
  H     -1.23450163      3.84873585      3.94243925
  O     -5.57150439     -0.44579833      6.08071641
  H     -0.05399121     -2.22197873      2.49425317
  H      2.48777716      0.83308243      2.79469999
  O     -1.59075420     -0.53180681      0.25135892
  H     -2.73209205     -2.89247587      2.35534646
  H      1.85150896      0.52545042      4.15962514
  O      1.79191449     -2.15593978      2.28990287
  H     -3.79512504     -2.73308517      1.25462037
  H     -3.51264160      1.49826059      4.03265440
  O      2.06090938      1.95470114      1.28202221
  H     -2.80115961     -1.98815742      7.64530240
  H     -2.54841963      0.26540584      4.24579243
  O     -0.21202033      2.81735189      2.69820084
  H     -2.38747144     -1.17587328      6.39647068
  H     -4.54154044     -1.98381468     -1.10462399
  O      1.19538705     -0.34290332      0.13431042
  H     -3.78452832      1.88825960      7.33709401
  H     -4.66323292     -0.97464134      0.06077748
  O     -1.83656170      4.13226218      4.64238183
  H     -2.92309065      0.62871511      7.55567681
  H     -4.79152020      2.94771844      5.06519791
  O      2.47051343      0.17831488      3.50386144
  H     -5.61416825      1.24929003      6.39484693
  H     -3.50536115      3.59654479      4.42175428
  O     -3.17782042      0.67946063      3.64467593
  H     -6.26836504      2.46041115      7.10382826
  H     -5.55172207      3.69193882      1.29021190
  O     -4.08154874     -1.64432638     -0.34170762
  H     -5.61079358     -0.77680741      5.17281920
  H     -4.86685898      3.04922792      2.51514917
  O     -4.34317312      3.14384583      4.23351889
  H     -4.76936863     -0.81931168      6.46581879
  H      0.13502789      1.86795254      5.73557947
  O     -5.04390021      2.93309870      1.56615629
  H     -2.38958668     -0.96350819     -0.07688623
  H      0.13535564      1.81441282      4.18548399
  O      0.36914719      1.31349347      4.98109493
  H     -1.85328215      0.36280345      0.51060324
  H     -2.64643853      1.34047470      2.11685813
  O     -2.43162007      1.86277681      1.32469072
  H      2.07444294     -1.36712204      2.78691325
  H     -3.23386599      2.36228508      1.14045779
          69
 Energy    -251.26096623039695     
  O     14.63844805     11.88806349    -11.88208232
  H     15.35022090     11.66544661    -11.27173620
  H     15.03056182      7.74840555    -16.34851556
  O     14.46491371      6.79846714    -14.88252619
  H     15.01550286     11.80930558    -12.76984128
  H     18.70444908      9.34323186    -12.16392338
  O     16.42784274      6.05618232    -10.87490296
  H     14.96122740      6.08315374    -14.46332233
  H     18.64107893     10.58419335    -13.06782330
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  H     11.53926145     11.57839803    -11.51278883
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  H     12.07964596     10.21604700    -13.58774740
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  H     12.96154497      5.24004910     -9.87307782
  H     16.18850630      5.38000062    -12.61120157
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  H     15.42374542      8.66148621    -11.61969718
  H     14.42548289      3.81895881    -10.65330026
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  H     19.06189540     11.32655166    -15.48054127
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  H     18.20219478      7.54973751    -15.74685458
  H     18.32701660      9.97125743    -15.35554428
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  H     11.60778642      4.88005682    -11.63943471
  H     12.33193944      9.16240912    -11.12672008
  O     18.42609402     10.85311333    -14.95099042
  H     10.64341843      4.05057777    -12.52423038
  H     17.50148047     10.78864895    -10.92435502
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  H     18.53757980      6.50407595    -13.88005330
  H     17.25023708     11.43488282     -9.54318632
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  H     19.36200545      5.50671016    -14.72805256
  H     16.64167401     11.27355808    -14.67717029
  O     15.72447784     11.31050837    -14.37678569
  H     14.87683835      9.19324725    -16.85127825
  H     15.14071603     11.19395208    -15.13823266
          69
 Energy    -251.26075975870981     
  O      0.45769388     -0.00712031      6.20671260
  H      0.78509223     -0.47671010      6.98737228
  H      4.78196294      2.57214553      7.75802001
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  H      4.80846794      2.65564291      5.12702950
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  H      1.80859912      2.97971672      4.46744271
  H      4.87981340      1.25947367      5.79663401
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  H      1.90234971      2.31048892      3.07298764
  H      5.47015897     -0.24603979     10.54619802
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  H      4.93708250     -2.96074953      3.57864665
  H      4.79434084     -0.61040966      9.20740759
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  H      3.53198028     -3.61017147      3.51946687
  H      5.05360695      4.17990831      3.05470891
  O      1.38696039     -3.84377564      7.03568253
  H      1.31041704      0.04698005      1.97227406
  H      3.79124939      3.35330323      3.39957254
  O     -1.01697217     -1.39421120      4.26032651
  H      2.24643474      0.13877107      3.18488811
  H      2.97635221      3.10912578      8.94297673
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  H      1.77189249     -0.65962273      5.18095150
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  H      1.67141976     -0.73598296      9.01114913
  H      2.28597741     -1.76517652      4.20311653
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  H      4.29058592     -4.03665202      5.65435365
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  H      1.36616773     -3.03445511      7.56359363
  H      4.60613330     -5.08957747      6.74026994
  O      4.86079156      0.07917429      9.88779324
  H      2.31858731     -4.05517366      6.90250955
  H      3.83898604      0.68666544      1.98104804
  O      4.76618448      3.33514108      3.39015061
  H     -0.64936265     -0.83265018      4.95615470
  H      4.93601472      1.63580086      2.47993779
  O      2.00761430      3.20674344      8.99683427
  H     -0.88039593     -2.30444379      4.55180525
  H      5.59250041     -0.68125125      2.62898697
  O      2.51520059     -0.92799546      4.62459710
  H     -0.40356634     -1.29547688      2.63330134
  H      6.84430898     -1.58418286      2.55839859
  O      4.18678945     -4.24446797      6.60008243
  H     -0.64120128     -1.42482472      1.10890135
  H      1.08204238     -3.61134578      3.68638880
  O      4.79688175      0.76910834      2.08067230
  H      4.79031693     -1.24642005      7.04551307
  H      1.25980777     -2.64595049      2.49290745
  O      6.02235480     -1.46072182      3.02544326
  H      4.46266633     -2.65957655      7.55720135
  H      2.80800164      2.27111725      6.17263014
  O      1.74681433     -3.19478251      3.12024697
  H      1.89097573      1.46984815      9.83678960
  H      1.75346925      2.74890439      7.19101034
  O      1.85632680      2.39435885      6.29902434
  H      2.97946337      0.45727525     10.23553923
  H      4.13200851     -0.64447460      5.17982425
  O      5.04967399     -0.49110123      5.46368819
  H      4.83918261      1.82656258      9.11397213
  H      5.59855110     -0.80638490      4.73758291
          69
 Energy    -251.26024515577578     
  O     -0.87688107      0.23092976      1.36640722
  H     -1.51675448     -0.23439563      1.92796221
  H     -0.61143723      5.20537138      0.71381070
  O      1.59895792     -1.68823562      3.92367223
  H     -1.36468964      0.94943464      0.94791377
  H     -1.41639702      5.00390667      5.99426772
  O     -4.75070651     -3.19857968      4.59027717
  H      0.75664869     -2.03149355      4.27178396
  H     -2.01465795      4.38749800      4.70741830
  O     -4.85439645     -1.96060731      2.05738876
  H      2.29517672     -2.12359294      4.40823053
  H     -1.24596774      2.43474620      5.76156551
  O     -3.65031195     -2.57267364     -0.39710900
  H     -3.98516949     -3.76598493      4.43470068
  H     -0.60250427      1.23447377      5.02203249
  O     -2.55561574      2.25281749      0.47685709
  H     -4.98968451     -2.85497124      3.71967305
  H     -3.65052319      3.89325056      3.04340481
  O     -4.03155247      0.12210474     -0.67211980
  H     -4.59497538     -2.34388615      1.21021283
  H     -2.43383282      4.68723365      2.52890146
  O      0.48864405     -2.22062252      1.29731467
  H     -4.03004394     -1.62873177      2.45000531
  H      0.00764834      3.96458159      4.07012651
  O     -0.84158741     -2.50534518      4.80461137
  H     -3.80971427     -2.98551484     -1.24198672
  H      0.68172435      2.76019245      3.38840364
  O     -2.39429917     -4.64449807      3.89942801
  H     -3.68121974     -1.61202402     -0.55096708
  H     -1.96341897     -1.48986258      3.70161359
  O     -4.47123359      2.26992536      2.54169350
  H     -2.02550843      3.05332693      0.57476922
  H     -2.95011078     -0.28223025      3.76228944
  O     -1.04968929      4.51243804      1.20022773
  H     -3.19819767      2.26302776      1.20135880
  H     -5.76908007     -0.47909566      1.63268614
  O     -1.35899650      4.24922401      5.41463023
  H     -4.83007381      0.27688150     -0.15348849
  H     -7.07925900      0.22983817      1.21677297
  O     -1.22991949      1.46970953      5.72086682
  H     -3.44751248      0.86293006     -0.46698064
  H     -2.74804638     -1.11610864      6.88521878
  O     -3.01979698      4.58210257      3.28891711
  H      0.10289633     -1.35036937      1.12552570
  H     -1.54591227     -0.16284320      6.67260637
  O      0.49951431      3.70334453      3.28227782
  H      1.01457368     -2.10982485      2.09697197
  H     -5.29695458     -1.35116807      7.09154036
  O     -2.56158374     -0.94414853      3.17615072
  H     -1.15383684     -2.10298515      5.62994859
  H     -4.67829616     -1.95003298      5.80704881
  O     -6.13729016      0.35605722      1.29762654
  H     -1.33051073     -3.32017323      4.63738568
  H     -0.93737987     -3.33341947      1.34966540
  O     -1.78446869     -1.06827767      6.91279332
  H     -2.19746228     -4.37890666      2.98098333
  H     -2.36391840     -3.42318668      0.76433350
  O     -4.61390583     -1.21347455      6.44077526
  H     -2.26659798     -5.58801758      3.94503026
  H      1.07370698      0.11524626      3.79255476
  O     -1.77473867     -3.81647452      1.41623171
  H     -4.27065196      1.83272804      3.38288942
  H      0.07673484      0.75082317      2.80370757
  O      0.55475288      0.91176112      3.63111309
  H     -5.14953232      1.73275454      2.11544010
  H     -2.92317887      1.18099811      5.20916725
  O     -3.78162269      0.92491847      4.84008624
  H     -0.42692577      4.21520569      1.88766138
  H     -4.17780695      0.27494029      5.43451271
          69
 Energy    -251.25898903601757     
  O     14.07176089     14.95014776     -9.50862135
  H     13.80878605     14.03746329     -9.28827240
  H     12.28568377     12.75344610    -14.80921588
  O     16.07768516      9.35965580    -11.34306559
  H     13.84167763     15.49427065     -8.76043070
  H     10.60980260     13.85233597    -13.24853873
  O     15.44021225     16.15024856    -13.78482944
  H     16.66679925      9.83518012    -11.94908601
  H     12.07584392     14.18980309    -12.88785260
  O     13.93936162      9.89476306    -15.29376475
  H     15.20246748      9.34173643    -11.75710405
  H     18.66153799     13.75409229    -13.49664093
  O     16.29414016      6.82363215    -12.69111894
  H     15.34754476     15.37927999    -14.37319877
  H     20.03775710     13.22365949    -13.96117135
  O     16.88931402      7.11160776    -15.34296630
  H     15.43809755     16.92354162    -14.34358850
  H     14.41732444     11.86374263     -9.00748752
  O     15.21951111     12.54610291    -12.64371672
  H     13.49704487     10.74054607    -15.45358380
  H     13.18628544     12.03620089     -9.91698830
  O     13.58982252      9.20971550    -12.65833166
  H     14.88038464     10.00341119    -15.48559870
  H     14.97985391      7.02125630    -15.69089888
  O     16.72146164      9.91557796    -15.60374870
  H     16.35028265      7.59521729    -12.11535004
  H     13.84653363      8.06051489    -15.65134894
  O     17.40076762     12.59736529    -16.25826530
  H     15.36286797      6.56664601    -12.69636013
  H     16.70990998     10.78485808     -8.54490958
  O     12.77238384     11.60639593    -11.61279887
  H     16.75581439      6.99534922    -14.38559010
  H     16.15054019     10.49818677     -9.95219395
  O     12.83244706     12.39233471    -15.51626182
  H     17.53254304      6.46104522    -15.61175326
  H     17.04214291     15.44856628    -12.98305841
  O     11.49139846     13.48941289    -13.23014728
  H     15.61981864     13.06839877    -11.93658866
  H     17.44263331     14.60864994    -11.75330729
  O     19.10591403     13.02269261    -13.96185112
  H     14.37227847     12.22602686    -12.31180762
  H     16.60558061     11.50617411    -12.99672479
  O     13.57930598     12.33454640     -9.08252258
  H     13.71637601      9.47496448    -13.58292527
  H     18.11360684     11.58263615    -13.34008048
  O     14.02216724      7.10947762    -15.61054488
  H     13.41799196      8.26113645    -12.66314342
  H     13.94282078     15.69071813    -12.68910487
  O     16.20918660     11.17460078     -9.25781798
  H     16.86405694      8.96140267    -15.62579014
  H     13.46121254     15.27528985    -11.27863743
  O     17.77095073     14.94893817    -12.59666730
  H     17.00031063     10.21447961    -14.72559732
  H     12.85624687      5.70906872    -12.96076905
  O     17.40281951     10.96657673    -13.12450506
  H     17.21401118     11.64932553    -16.23737594
  H     13.59736399      6.58752777    -13.99958664
  O     13.18360273     15.35296732    -12.19923064
  H     18.07279493     12.75316642    -15.58309462
  H     15.71469787     14.27384921    -10.05367489
  O     13.48051578      6.42390418    -13.04536986
  H     12.19899902     12.12387716    -12.19219828
  H     16.47438795     12.91789236     -9.98199615
  O     16.44919778     13.77194836    -10.43224244
  H     12.88189386     10.71645402    -11.97650489
  H     15.19192939     13.33765645    -14.26997272
  O     15.22040013     13.80662590    -15.11829996
  H     13.61104416     12.96421692    -15.55629636
  H     15.96175739     13.44102000    -15.62234047
          69
 Energy    -251.25513970988140     
  O     12.02831933      8.81195497    -15.21320087
  H     12.67255418      8.42108028    -15.81987451
  H     20.49183547     10.05685554    -15.43873871
  O     17.32753779      6.70059478    -13.08878459
  H     12.28135844      9.73597957    -15.10513792
  H     14.54446904     11.48118844    -15.87278908
  O     16.90351847     11.09921999    -11.89486163
  H     17.62254258      6.31436551    -13.92584723
  H     16.08585588     11.61264309    -15.78546242
  O     17.44547404     11.83931199    -14.58991570
  H     17.89072760      7.45764869    -12.87618760
  H     16.09945824      7.75921531    -13.98450157
  O     15.02708090      5.10793510    -16.08500920
  H     16.00345991     10.82981836    -12.13038446
  H     15.06964892      8.13667064    -15.11591172
  O     14.91232788      8.87586997     -8.84762262
  H     16.93322886     11.12691462    -10.93094420
  H     11.77482988      7.76730987    -13.86206878
  O     15.38646473      6.02787863    -11.32345879
  H     18.26811181     11.36456227    -14.75090822
  H     10.78195172      6.87750740    -13.07811238
  O     14.44949407     10.14736440    -12.70625863
  H     17.28170009     11.75198930    -13.64232985
  H     18.04430256      9.27099246     -9.44734622
  O     17.69423616      8.68582320    -16.35845546
  H     14.81082135      4.24575722    -16.43062818
  H     18.70576076      8.55678362    -10.63962736
  O     16.63819381      6.58848259     -8.86426957
  H     14.62934368      5.15954526    -15.19625629
  H     13.10587130      5.92097820    -13.50906321
  O     17.75692484      5.90599297    -15.67552653
  H     14.27645054      8.68658807     -9.54936091
  H     14.38697923      5.43059012    -12.81050337
  O     19.66222971      9.98570364    -14.97396335
  H     15.41130467      8.05866655     -8.72070061
  H     18.06063667      9.73605333    -12.29624621
  O     15.35453904     11.41607706    -16.38960469
  H     15.76311027      6.05993908    -10.43633407
  H     19.19164092      9.32691202    -13.26474140
  O     15.67192679      8.49076559    -14.44915470
  H     16.11971414      6.21978876    -11.93020258
  H     16.10683588     10.14358927     -8.99580005
  O     11.69552896      7.14797515    -13.11449990
  H     14.90687037      9.60812871    -13.37382245
  H     16.86712980     11.32596116     -8.34859501
  O     18.44476392      8.43511792     -9.71846278
  H     14.05939771      9.52119000    -12.08344431
  H     15.56882559     10.21159196    -17.57541095
  O     13.89452303      5.38109564    -13.63958182
  H     17.20336643      8.93392092    -17.15041388
  H     15.64709949      9.81195474    -19.07118174
  O     18.70400833      9.03665611    -12.48518140
  H     17.05256197      8.75079866    -15.63377208
  H     14.15804335      7.37234376    -11.21264850
  O     16.86140964     10.74972829     -9.10795028
  H     17.01622813      6.05643216     -8.16946102
  H     12.75963432      7.78888481    -11.71819681
  O     15.72034128      9.46458735    -18.18720568
  H     17.34465379      7.18061729     -9.18002357
  H     13.51238371     11.06468692    -13.89203259
  O     13.48586487      8.06754034    -11.14678799
  H     17.82631714      6.78715945    -16.06475565
  H     12.61559526     12.22709505    -14.37828860
  O     13.05129533     11.42917319    -14.66735408
  H     16.87300235      5.58278379    -15.89258130
  H     14.43200861      6.77538667    -16.65439340
  O     14.12956661      7.69287866    -16.66077885
  H     19.05426294      9.49827496    -15.55594736
  H     14.65566226      8.19430085    -17.29701451
          69
 Energy    -251.25462966209409     
  O     14.99337630     11.79702379    -10.77481596
  H     15.06905318     12.49637798    -10.13152909
  H     14.40599813      7.84213523    -14.55428235
  O     12.76889881      6.29550181    -12.46747567
  H     15.50315601     11.04045154    -10.43027835
  H     16.45880917      5.21544848    -15.71176857
  O     17.59471463     10.20030479    -14.60922866
  H     13.18499467      5.43470632    -12.59303029
  H     15.22655308      6.01808112    -15.21609214
  O     17.36507275      8.61690593    -12.33317714
  H     13.48813343      6.94648107    -12.50903646
  H     17.07578537      5.77260262    -13.69354284
  O     15.98423213     12.06172669    -13.46416303
  H     17.17441906     10.94814258    -14.15771498
  H     18.58868768      6.05223027    -13.62259716
  O     12.57688103      7.92662952    -10.12116052
  H     16.95661851      9.90436822    -15.27292068
  H     15.56777542      8.40900638    -12.61162961
  O     15.63520679      9.55473033    -16.51289480
  H     17.61113928      7.70930589    -12.55678729
  H     14.13172687      9.01652715    -12.50292918
  O     13.98483567     11.60919522    -15.49731553
  H     17.52871191      9.16501123    -13.11182103
  H     14.33368588      3.10011400    -13.09339572
  O     17.75608575      5.44660959    -17.00392721
  H     15.23605643     11.98064366    -14.06891486
  H     14.89752172      4.38753156    -13.73552079
  O     11.46947245      7.35970736    -14.66675629
  H     15.63031566     12.02376849    -12.56822609
  H     11.74578560      9.28018089    -14.46609340
  O     16.02727778      5.36017078    -10.98134213
  H     13.41552840      7.68547320     -9.70574033
  H     12.21106288     10.24348913    -13.35182655
  O     14.18847544      7.47335293    -15.42797580
  H     12.42289674      7.25157222    -10.79320286
  H     15.46195543      6.51567024     -9.78960242
  O     15.81021264      5.27672283    -14.99856327
  H     15.11088251      8.78462878    -16.24957805
  H     15.30637070      6.78065823     -8.27724305
  O     17.78872536      5.99421885    -13.08045332
  H     15.09700857     10.32635843    -16.29483300
  H     19.82609239      7.22883661    -15.25126897
  O     14.65042135      8.29737531    -12.88583508
  H     13.25580447     11.09988834    -15.10063126
  H     19.16608853      5.92258197    -15.72775223
  O     14.39458690      4.04497159    -12.97742087
  H     13.58637435     12.35244929    -15.94311552
  H     16.84621377      9.29968088    -10.73346335
  O     12.01746772     10.18850010    -14.29987716
  H     17.71615803      6.37904403    -17.28439985
  H     15.91787395      8.81998290     -9.60315246
  O     15.13469105      7.15850605     -9.13641941
  H     17.96627016      4.93583521    -17.78124116
  H     18.52604262      8.45845681    -17.13916957
  O     19.70220170      6.29983086    -15.01960151
  H     11.81128448      6.94499964    -13.85670695
  H     17.01543021      8.64264706    -17.40095210
  O     16.33355541      9.60790586     -9.97214827
  H     10.61164023      6.97671079    -14.83076533
  H     20.50680904      9.66311466    -15.89796936
  O     17.77383104      8.08349438    -17.61432619
  H     16.78132334      5.54787146    -11.55573602
  H     19.07830887      9.54251583    -15.32224680
  O     19.76902274      9.06467964    -15.81230601
  H     15.42986854      4.82875739    -11.51848376
  H     13.53614585     10.79496752    -11.30024306
  O     12.92826248     10.15699294    -11.69388087
  H     13.22952279      7.38123321    -15.43538991
  H     12.72671259      9.47458036    -11.03560412
          69
 Energy    -251.24881785675279     
  O     14.32707185     10.17105220    -15.39664152
  H     14.76035950      9.61472632    -14.72754239
  H     20.03591514      6.49495010    -14.84070884
  O     13.76563917      3.58024565    -15.94944772
  H     14.20415127     11.03096528    -15.00194418
  H     17.43421765      7.73321271    -16.15866306
  O     17.49553660      7.44752233    -12.14830033
  H     13.01307845      3.08604299    -16.26557051
  H     18.68910986      7.91247499    -17.04402375
  O     19.58916944      6.63827778    -18.02403032
  H     13.71888291      4.45954303    -16.36544396
  H     15.46352412      6.33579791    -16.07421411
  O     17.26394774      5.54491743    -18.79727404
  H     18.27253630      7.68297285    -12.66842781
  H     16.74801116      5.73668760    -15.41177020
  O     13.30978723      6.95818725    -10.09300186
  H     16.74250094      7.86408559    -12.59411954
  H     12.49599627      7.66074482    -14.57760518
  O     14.16069832      4.48711599    -13.30344054
  H     18.77256890      6.19999307    -18.32952349
  H     12.94776522      8.78858456    -15.52978548
  O     15.36599809      8.30946744    -13.66002941
  H     20.19380882      6.63312251    -18.76042984
  H     16.44494452      3.31016801     -9.19681214
  O     17.79095378      4.27505570    -15.00896464
  H     16.92925113      4.76681262    -18.32699020
  H     15.28930085      3.95664731    -10.00133779
  O     13.63164197      4.13109567    -10.55248171
  H     16.50519154      6.10513782    -18.98993974
  H     13.28786874      6.75190658    -16.50261883
  O     16.36962342      3.43979528    -17.22838942
  H     14.27412908      7.00443104     -9.96427989
  H     14.13615144      6.47400021    -17.79424968
  O     20.11191569      5.69242128    -15.36910023
  H     12.91169970      7.40709310     -9.35207762
  H     19.00866022      8.38664299    -14.84650194
  O     18.11527051      8.37506848    -16.41795132
  H     15.10677955      4.56112868    -13.11677945
  H     20.14175059      8.90220608    -13.93199447
  O     16.24376884      6.54908387    -15.54809496
  H     14.05700179      4.08454730    -14.17368330
  H     17.10299373      5.65602978    -12.36644509
  O     12.46555338      7.95402971    -15.49848945
  H     14.55107203      7.92395581    -13.30821072
  H     16.75903085      4.37269233    -11.56680346
  O     16.24229002      4.01378721     -9.80666451
  H     15.69679673      7.68308985    -14.32453440
  H     16.20482713      5.93569758     -9.66082403
  O     13.84351715      6.09851171    -16.95483720
  H     18.67273036      4.66525343    -15.09943714
  H     16.61607020      7.17247875    -10.48388520
  O     19.49473917      8.20647076    -14.02452397
  H     17.56172960      4.27183844    -14.07074478
  H     15.30305506      8.12430805    -18.69148268
  O     16.84351050      4.72873848    -12.45939326
  H     13.67726649      4.10787455    -11.51839577
  H     14.70617446      7.60558195    -20.02207838
  O     16.01662204      6.87423990     -9.78823961
  H     13.36198002      5.02974502    -10.32598074
  H     13.38608516      6.10666491    -13.08425948
  O     15.01628890      7.32335380    -19.16579359
  H     15.48823614      3.33012553    -16.85780535
  H     13.01146272      7.06599292    -11.92590425
  O     13.06292534      6.99925482    -12.88740846
  H     16.94979052      3.57085879    -16.46364019
  H     16.70225451      9.25594002    -17.31396698
  O     15.84049594      9.45366857    -17.70307837
  H     20.03827363      5.97008182    -16.29190990
  H     15.28765884      9.77458498    -16.98021948
          69
 Energy    -251.24800048368377     
  O     11.95220244      9.49043004    -10.62780674
  H     11.97794255      8.65498275    -11.10887217
  H     14.39389817     10.93388581     -9.18782910
  O     15.05716170     10.42687546    -12.50322988
  H     11.52222000     10.11384581    -11.22480360
  H     10.47060780     11.38766601    -15.91328508
  O     17.25729733     13.84446277    -13.31172400
  H     14.33804207     11.03581088    -12.29714421
  H     11.22696849     10.04566898    -15.84691052
  O     16.36950557      7.33056651    -14.33778224
  H     15.84753273     10.82787304    -12.12440590
  H     15.45296096     13.85724608    -13.90424605
  O     11.11504965     11.14939679    -12.81307300
  H     17.47430496     13.10669483    -13.91340468
  H     14.76456710     12.93536484    -14.93357651
  O     12.18167769     14.09325802    -15.65662170
  H     17.90375666     14.52752442    -13.46755046
  H     14.10301989     12.78145145    -10.46804632
  O     15.12542938     11.72260189    -16.25823653
  H     17.13771293      7.90426213    -14.21465943
  H     14.35086682     13.49828039     -9.11864771
  O     16.23306808      8.19211873     -9.42947860
  H     15.95440461      7.26469182    -13.46774504
  H     17.87365482     10.86205300    -14.63731082
  O     13.31313810     12.58214466    -12.01823667
  H     11.41483119     10.42711373    -13.38422952
  H     16.89063948     11.67493239    -15.53408022
  O     14.66308236      9.36540508    -14.99471223
  H     10.59699875     11.74153004    -13.37231022
  H     17.09474807     12.75773080    -11.81213179
  O     18.44771269      9.22411588    -13.83249801
  H     12.40472660     13.60486579    -16.45948828
  H     16.26427634     12.38346593    -10.54815779
  O     14.24377122      9.98581504     -9.11622241
  H     12.99011004     14.11054955    -15.12911345
  H     11.96845467      8.32251087    -13.80033705
  O     10.95679940     10.74992487    -16.45030846
  H     14.42699682     11.92030771    -16.89344930
  H     12.90486068      9.13130920    -14.72411983
  O     14.59070544     13.60257150    -14.25292465
  H     14.94175062     10.83277181    -15.91869497
  H     12.61764795     12.26209626    -18.69582031
  O     14.66247162     12.78626007     -9.67102693
  H     16.41197299      7.76982198     -8.59423636
  H     12.15663903     11.64906794    -17.35219442
  O     17.65099014     11.74937730    -14.94340496
  H     15.52692790      8.84592228     -9.26825031
  H     13.27371069      7.27167000    -12.17127461
  O     16.95971884     12.07484394    -11.14291174
  H     12.48390956     12.15550555    -12.27298856
  H     12.09723101      6.26807976    -12.20463162
  O     11.98264063      9.04419777    -14.44033501
  H     13.70054214     12.98883834    -12.80621106
  H     17.53112703      9.04649234    -10.55051459
  O     12.80546884     12.24993315    -17.76121841
  H     15.21658455      8.57278320    -14.98235925
  H     17.83944715     10.48098719    -11.03096318
  O     12.31782302      7.18730351    -12.33078166
  H     14.83482272      9.81670174    -14.15295363
  H      9.19697861     13.39709569    -14.80058135
  O     18.07916569      9.55226770    -11.16144767
  H     19.36118725      8.99196775    -13.98392979
  H     10.72903428     13.35606359    -15.01816832
  O      9.96076948     12.83136205    -14.72909724
  H     18.34108483      9.30652378    -12.86818190
  H     14.95661253      8.65169173    -12.06850102
  O     14.96562470      7.70412565    -11.86372584
  H     13.41819786      9.80500384     -9.58990568
  H     15.40995861      7.63786611    -11.01012849
          69
 Energy    -251.24797871623389     
  O     -3.97773346     -0.20011364      3.09092559
  H     -4.39984773      0.36268506      2.42359693
  H     -2.86681822      3.05480326     -0.57126487
  O      0.58236940      2.24561253      2.60739470
  H     -3.48497064      0.39711140      3.66519388
  H     -7.49977565      2.73166929      1.84270627
  O     -2.61165429     -1.65106236      1.18535911
  H     -0.13292314      2.89455569      2.61992785
  H     -7.69062104      2.15863931      0.40690365
  O     -3.75884570      0.82662067     -2.39409423
  H      0.43563181      1.67790903      3.37418454
  H      1.83632415      0.62698030      0.18979839
  O     -4.87669983      1.36133993      1.02599949
  H     -3.29075142     -2.24193495      0.84169324
  H      0.83814917      1.21865296      1.21173628
  O     -7.59228908      2.22868792      3.60905947
  H     -3.03051233     -1.14629858      1.89965622
  H     -4.31378993      2.59888089      4.49274336
  O     -8.17766182      0.52654204     -0.37910508
  H     -2.94747118      0.52175520     -1.96706287
  H     -4.81656368      3.85802619      3.75385468
  O     -2.57499763      1.76805734      4.47127696
  H     -4.46993071      0.29274549     -2.01752028
  H     -2.50742798      4.38387608      2.70301539
  O     -3.94986616      3.51753335     -2.01066233
  H     -5.63077279      1.96156299      1.04482714
  H     -2.00845023      3.31342891      1.72055112
  O     -5.67502147     -0.53657439     -0.80821213
  H     -4.09618205      1.87052770      0.77430397
  H     -4.34216373      6.19385133      2.85026561
  O     -4.96853229     -2.99738009      0.36440087
  H     -8.17941789      2.50103114      4.30958522
  H     -4.55319871      5.10557759      1.77416866
  O     -2.49640456      2.60827442      0.19993591
  H     -6.69414910      2.48430425      3.88551422
  H     -6.78007993     -1.58742200      2.62574630
  O     -7.27102259      2.86664126      0.91247906
  H     -7.34322738      0.09560758     -0.62952514
  H     -5.29506117     -1.54449508      3.03677584
  O      0.94285797      0.54784537      0.51316414
  H     -8.81925853      0.29334990     -1.04508402
  H      0.34503141     -0.06026664      5.32945866
  O     -5.11076677      3.08590445      4.25286478
  H     -2.30423317      2.44103332      3.82941290
  H     -0.16868183     -0.32399691      3.89529220
  O     -1.83074659      3.70663445      2.59028527
  H     -1.77533014      1.27089629      4.68418600
  H      0.34631946     -0.80301167      1.76207410
  O     -4.17595447      5.27515315      2.65540907
  H     -3.73482721      3.97223525     -2.82100503
  H     -0.94105182     -1.59762316      2.03947294
  O     -5.98025452     -2.12955566      2.68818844
  H     -3.95399792      2.56615313     -2.21987750
  H     -8.21624097     -0.08727423      1.47639641
  O     -0.15789750      0.32803274      4.61858190
  H     -5.46051450     -1.42746870     -0.50516552
  H     -7.90788822      0.48511313      2.87330070
  O     -0.11246377     -1.30912278      2.44364902
  H     -5.33387494      0.07945241     -0.13959207
  H     -1.95729454     -0.50804070     -0.06711385
  O     -8.07215693     -0.33728790      2.39576624
  H     -5.15624946     -3.91830996      0.20855926
  H     -0.65386895      0.26187540     -0.40080967
  O     -1.57708008      0.15318015     -0.66399345
  H     -5.37947970     -2.76370715      1.21900056
  H     -4.91803126      4.37279382     -0.56970262
  O     -5.30904551      4.71253384      0.24274576
  H     -2.12705790      1.76620616     -0.10138707
  H     -6.10065409      4.18002325      0.40573459
          69
 Energy    -251.24707738463479     
  O     18.23547916      9.25190865    -10.17195772
  H     18.09919489      8.34675901     -9.86399329
  H     18.03543292     11.70925794     -8.06729077
  O     14.29390987      8.49431176    -10.09030126
  H     17.38980695      9.59028674    -10.49099651
  H     16.74637996     11.79546562    -11.26456532
  O     19.63785076      3.80495165    -12.22922498
  H     14.73567018      8.87111747     -9.30599581
  H     17.22763314     12.48653766     -9.97666719
  O     21.36539615      7.75404980    -12.42495190
  H     13.36388812      8.45012189     -9.88667991
  H     19.06970702     10.21355846     -8.95360217
  O     15.62992793      9.61660895     -8.05207758
  H     19.70982369      2.85472811    -12.20767814
  H     20.28800715     11.15968405     -8.81907031
  O     17.88767715      6.28317446    -15.13350961
  H     18.70926077      4.01287903    -12.43783223
  H     19.57545892     10.60643496    -12.63993780
  O     22.94114578      9.13832038    -10.53673336
  H     20.69046989      8.42802845    -12.59478546
  H     19.08938075      9.48306942    -11.69878660
  O     17.46719897      7.84029324     -6.99946342
  H     22.03747024      8.19071071    -11.88787976
  H     20.26666496      5.03642945    -13.58048449
  O     21.75592624      7.54882143     -8.69728064
  H     16.24069361      9.01316716     -7.60141841
  H     20.84652254      6.46334023    -13.67737341
  O     20.17812797      8.73667199     -6.62515202
  H     16.04624362     10.48405333     -8.04696249
  H     17.27107082      5.06719894    -13.77096851
  O     17.88721105      6.59099256     -9.45004922
  H     17.85356580      6.12802168    -16.07350374
  H     16.61084984      5.15095916    -12.38359516
  O     17.14680195     12.10260897     -8.09504215
  H     18.81206812      6.14398468    -14.85818874
  H     16.19247856      9.64593743    -12.39066068
  O     17.33120878     12.49217509    -10.93520991
  H     22.55426988      8.59686204     -9.82415265
  H     15.23206028      9.69412275    -11.17003427
  O     19.54267559     10.78537121     -8.32730585
  H     23.88581896      9.12791314    -10.40457452
  H     21.99943685     10.80213946    -10.30983335
  O     19.40483691      9.65806906    -12.60055172
  H     17.57150168      7.25290434     -7.76183495
  H     21.00379456     11.87884683    -10.82305606
  O     20.37785048      5.78430122    -14.18041161
  H     18.36312808      8.08056729     -6.73932803
  H     15.31209355      7.18895967    -11.00146400
  O     17.13400567      4.57253485    -12.95322187
  H     21.26298782      6.86357957     -9.16618812
  H     16.37084285      7.26770786    -12.13361203
  O     15.93120307     10.17828635    -11.62734905
  H     21.20782135      7.84466964     -7.96145088
  H     17.92974101      8.82156701    -13.25909979
  O     21.49512392     11.58212571    -10.04716916
  H     19.98857493      9.53152276     -7.15265951
  H     17.28005047      7.71269229    -14.11981471
  O     15.98290856      6.67774821    -11.47097915
  H     20.56693472      9.03500421     -5.80640837
  H     18.88684117     12.48603027    -11.72446377
  O     17.09044974      8.37519726    -13.44396000
  H     18.73244914      6.28880290     -9.80981507
  H     19.84582822     13.17872372    -12.72029343
  O     19.74248337     12.39824898    -12.18262689
  H     17.21420884      6.47501444    -10.13391667
  H     20.66432738      6.56158625    -11.19678371
  O     20.33684701      5.92745568    -10.54328371
  H     17.11141410     12.75070551     -7.39561494
  H     20.16782910      5.10659324    -11.02251621
          69
 Energy    -251.24567256854775     
  O     -6.46075117     -3.01798578      6.22729579
  H     -5.88470596     -2.34299690      6.60318574
  H     -6.16129345     -2.53903898      0.92935131
  O     -7.34925127     -2.95234543      2.22698188
  H     -7.32430671     -2.59348811      6.11853591
  H     -3.50095268      2.19149585      2.38258497
  O     -5.91277776     -4.53257354      4.05536423
  H     -7.20369383     -2.12279088      2.70843059
  H     -4.53572974      1.13173478      1.91813282
  O     -5.51051493      0.58456693      0.46352515
  H     -6.96237643     -3.63931325      2.78649096
  H     -5.97616084     -0.64412996      3.98320547
  O     -6.71527774      1.35855131      6.68195480
  H     -5.90157349     -5.44933063      4.31600382
  H     -7.45782420     -0.85500846      4.44139464
  O     -6.75268133      5.04118403      1.12989449
  H     -6.09040721     -4.01589508      4.86261258
  H     -4.07514906     -0.76040870      7.57633679
  O    -10.69475134      0.17015201      2.06674107
  H     -5.36666662     -0.36054643      0.33883099
  H     -4.48557714     -0.73651708      6.08478143
  O     -8.71711912     -1.54379226      5.60510929
  H     -6.43275396      0.67917010      0.74785446
  H     -2.00679716      4.22518142      1.68073516
  O     -4.14169394     -0.68451434      4.38230175
  H     -6.08740448      0.65175412      6.86833807
  H     -3.44171054      4.35507142      2.25037915
  O     -5.03598809      3.33009922     -0.11354044
  H     -6.33449335      1.89561454      5.97379046
  H     -9.98324205      1.65211663      4.94705489
  O     -9.96895358     -2.30188305      3.27794836
  H     -7.04885305      5.71511470      0.52405445
  H     -9.54642591      2.53508585      3.75190631
  O     -5.39739951     -2.26505637      0.39451208
  H     -6.18844719      4.43258695      0.62005847
  H     -4.27112131     -2.71642405      1.94535015
  O     -4.04731827      1.45721873      2.68724147
  H    -11.51718140      0.37080718      1.62859223
  H     -4.51242472     -3.54962686      3.22262187
  O     -6.89362514     -0.63317091      3.68854873
  H    -10.61280300      0.79421819      2.81188237
  H     -9.76162368      1.25814446      7.43012294
  O     -4.83049886     -0.78552726      6.99433030
  H     -9.08581487     -0.73837494      5.98586596
  H     -8.41946247      1.17024460      6.66311263
  O     -2.85888103      3.79921379      1.70174035
  H     -9.28706580     -1.83634634      4.87764377
  H     -5.44093034      5.26449179      2.53407791
  O    -10.23823010      1.93508674      4.06030621
  H     -3.95072990      0.08355584      3.82707511
  H     -5.05619653      4.47161582      3.79601770
  O     -3.91153962     -2.90941422      2.81871315
  H     -3.95077068     -1.48062500      3.86401802
  H     -6.62070338      2.95774441      3.97872376
  O     -9.37793136      1.00232637      6.59570680
  H     -4.20272075      3.48508441      0.34905217
  H     -5.21377394      2.31149561      3.88294810
  O     -4.72387139      5.12392765      3.16524608
  H     -5.18381699      2.37623797     -0.08539875
  H     -8.92225914      0.50735415      1.59063522
  O     -5.79425158      2.82011298      4.46447130
  H     -9.22912874     -2.65251630      2.76796589
  H     -7.60908435      0.29905103      2.39443226
  O     -7.98856846      0.74731099      1.61993933
  H    -10.27719034     -1.51563033      2.80931368
  H     -8.01364207      2.40570794      2.34121047
  O     -8.03514388      3.22929600      2.85135181
  H     -5.39776117     -2.81673593     -0.38448947
  H     -7.71515632      3.92586558      2.26513171
          69
 Energy    -251.24516181133208     
  O     18.15794239      8.42292143    -10.01468331
  H     17.32754810      8.91337443    -10.02861604
  H     17.69268578     11.41579352    -11.42355042
  O     19.30780462      3.12860283    -12.59754310
  H     17.91033154      7.49073126     -9.99055286
  H     18.73075920      9.14961431     -8.43480804
  O     21.43662847      6.60203663    -11.21938527
  H     19.19990332      2.20166162    -12.79137764
  H     18.23015793     10.36497539     -7.63823006
  O     15.51170239      9.35066866     -9.40978642
  H     18.61113658      3.60284574    -13.08639941
  H     19.41852480      8.79126607    -11.18699617
  O     19.46694601      6.22978487    -15.38472918
  H     21.90292228      6.79484187    -10.39686012
  H     20.49353504      9.80246082    -11.65358415
  O     22.39407723      7.25673779     -8.64752400
  H     21.03016449      7.43467190    -11.50022619
  H     20.67255536      4.33331611    -13.26115307
  O     15.64151747      6.90729598     -8.00835955
  H     15.84547617     10.11909063     -8.92879337
  H     21.40371468      5.61316292    -12.80369585
  O     20.33211919      5.75915740     -7.78868628
  H     15.50852221      8.59067249     -8.81185996
  H     16.96173846      5.26999374    -13.56256556
  O     18.19107464      7.09323995     -6.62125655
  H     20.13899368      5.86416375    -14.78132740
  H     18.09244527      5.13752372    -14.60012669
  O     17.01555851      5.86811561    -10.11571707
  H     19.82742921      6.17456398    -16.26542411
  H     16.03648673     10.05646102    -12.58019293
  O     16.85139716     11.53728656     -8.28737343
  H     21.66701573      6.73132130     -8.26441205
  H     17.38673325      9.83506963    -13.27282351
  O     18.09177048     11.81924971    -10.63875060
  H     23.19035569      6.99000913     -8.19571868
  H     21.83150714      9.06948339     -8.60974282
  O     18.86608467      9.64111739     -7.60920270
  H     14.97768451      6.31746548     -7.65962158
  H     20.64159401      9.90938035     -8.09351437
  O     20.11518387      8.93723255    -11.84779692
  H     16.08216255      6.43509962     -8.73729763
  H     13.66863470      9.16475236    -12.03480259
  O     21.15569434      5.10285483    -13.58623422
  H     19.57625751      6.15059014     -7.32790869
  H     14.82996320      9.10204020    -11.01420082
  O     17.52970137      4.62641431    -14.00435481
  H     19.98264343      5.24905355     -8.52807368
  H     18.73580664      7.67674936    -14.47525087
  O     16.88488058     10.47782707    -12.75591361
  H     17.29683815      7.02189570     -6.97106322
  H     19.05333234      8.52624410    -13.21472823
  O     21.46810202      9.96290933     -8.59232980
  H     18.44813872      8.01522805     -6.75758763
  H     21.60722721     12.04783632    -10.97518739
  O     14.58542550      8.92037190    -11.93817486
  H     16.74481909      6.10444161    -11.01462224
  H     21.17884212     10.92387762     -9.99915316
  O     18.35116104      8.29305961    -13.84072491
  H     17.85113812      5.38326910    -10.16999903
  H     15.61478042      7.42640238    -12.46796991
  O     20.93473135     11.39079187    -10.81973408
  H     17.30282196     11.71065727     -9.13641006
  H     17.05031032      7.31754365    -13.02691028
  O     16.33045122      6.80129826    -12.63328872
  H     16.59912294     12.38348220     -7.92956285
  H     19.45450234      4.08038381    -11.01986892
  O     19.50831618      4.76049206    -10.33691340
  H     19.04738907     11.73969462    -10.73095291
  H     20.15712418      5.40891078    -10.64693453
          69
 Energy    -251.24485264637045     
  O     -3.34475967      3.30000709      3.78923158
  H     -3.08605294      2.36483168      3.80376080
  H     -3.82416293     -4.13016316      2.84723242
  O     -1.09074981      5.37270910      1.10667658
  H     -3.41768595      3.56006628      2.85987682
  H     -4.06404408      1.81135076     -1.40074698
  O     -0.37673746      0.17197272      2.22863732
  H     -0.81550342      6.28115118      1.01525698
  H     -3.70247283      1.42110708      0.04280387
  O     -4.25542566     -1.37006830     -1.62396986
  H     -0.92206876      5.11878273      2.03260334
  H     -5.36241094      3.52013149      1.36371399
  O     -1.59278250     -1.64505046     -1.25957789
  H      0.24124743      0.81319138      2.59954605
  H     -6.26266658      3.06769646      2.54115637
  O     -4.45642776      0.63176159      1.42626348
  H     -0.55784828      0.46425862      1.32336215
  H      0.04351538      3.90656882      0.48889696
  O     -6.02359494      3.03941878      4.40709834
  H     -4.75853203     -1.64547826     -0.84489496
  H      0.18771220      2.43861830      0.00076360
  O     -7.95527736     -0.73687472      1.69852041
  H     -4.69334213     -0.57767512     -1.95475752
  H     -3.48870927      3.42249923      0.37956830
  O     -2.75495872      0.64665071      3.56573795
  H     -2.54705905     -1.54425439     -1.42953864
  H     -2.80117818      4.64868386      1.01923338
  O     -5.55929442      1.09071603     -2.29925664
  H     -1.25456623     -2.22922885     -1.93295877
  H     -3.88793586     -0.57760663      4.41808358
  O     -5.56359989     -1.85945919      0.78760384
  H     -4.85032914     -0.21938867      1.19809055
  H     -4.42065402     -1.95514152      4.00458918
  O     -3.95947402     -3.21156538      2.63048255
  H     -5.16728012      1.27136701      1.55778736
  H     -0.09831666      3.68704099      3.57300269
  O     -3.42062068      1.97750046     -0.70251485
  H     -5.06449539      3.16591043      4.31504497
  H     -1.57737256      4.04539054      3.88020289
  O     -6.12854354      2.97578785      1.58984469
  H     -6.30715726      3.60698258      5.11931748
  H      1.10310443      2.67990912      2.06082033
  O      0.65359799      3.16086364      0.44330579
  H     -7.59471614     -0.34082402      2.51379331
  H      2.12964242      2.44884719      3.19754010
  O     -3.58830952      4.09263877      1.07170132
  H     -8.82062599     -1.07193364      1.91623734
  H     -6.61736646      1.20292307      4.17631513
  O     -4.61316307     -1.19864709      4.57067614
  H     -3.36521847      0.58458942      2.81272053
  H     -6.09493381     -0.25309040      4.20116642
  O     -0.72551383      4.41911986      3.62120637
  H     -1.87685355      0.45898665      3.21220835
  H     -1.64059998     -2.13766799      0.57393865
  O      1.20265635      2.38133827      2.98392127
  H     -5.99423809      1.33090849     -3.11276623
  H     -1.14792170     -1.53754731      1.90138088
  O     -6.83083630      0.30506397      3.90553616
  H     -6.23343957      1.14005913     -1.59763399
  H     -0.97565151      0.06447808     -0.79940430
  O     -1.67775420     -2.25408114      1.53117560
  H     -5.12084147     -2.40751410      1.44954599
  H     -1.72728296      1.39089638     -0.59432793
  O     -0.87823586      0.95358754     -0.43597414
  H     -6.44642074     -1.63425937      1.10837367
  H     -7.64411291      0.57343809      0.32283723
  O     -7.34006933      1.28312175     -0.25454692
  H     -3.11713213     -2.88369400      2.26596943
  H     -7.05122333      1.99390664      0.33533371
          69
 Energy    -251.24210954832125     
  O     12.03778481     13.51692320    -10.16211567
  H     11.99446070     12.54756230    -10.24529693
  H     13.92960435     14.22535663    -15.83469331
  O     16.30734603     12.05767433    -16.98128383
  H     11.28060174     13.77927982     -9.64436461
  H     11.45101481     14.44968743    -15.12788088
  O     15.52563152      9.18368128    -10.81392911
  H     15.80059003     11.30703282    -16.65018349
  H     12.46160330     14.53941504    -13.96008399
  O     15.27229345     16.49219167    -11.68071484
  H     15.78109029     12.84731482    -16.78491669
  H     19.80831094     13.35362098    -10.88919579
  O     15.00253398     10.03908856    -15.45712063
  H     16.21514719      9.80639095    -11.09377809
  H     18.93317260     13.45385901    -12.16337307
  O     16.51494383      7.61646007    -13.05099800
  H     14.75551449      9.30584796    -11.38866755
  H     12.36118504     10.25253744    -10.94844640
  O     15.30101663     12.62434044    -12.23956392
  H     15.84808526     15.97246450    -11.09168374
  H     12.84238795     10.60896717     -9.53224826
  O     13.20083604      9.41577819    -12.40968309
  H     15.39855118     17.40833543    -11.44896296
  H     19.42933287     11.84933758    -16.67061282
  O     17.56450279      9.96426103    -14.32176523
  H     14.41965387     10.67041941    -15.01048021
  H     17.91504991     12.00230739    -16.38990139
  O     18.76399334     13.77300689    -13.83333278
  H     14.65182856      9.16262770    -15.26288302
  H     14.99084837      7.46076013    -13.91258241
  O     13.37970330     11.69319095    -13.92994636
  H     17.05355479      8.29181435    -13.48383483
  H     13.89828412      6.69717591    -14.70007343
  O     14.84111216     14.24542095    -16.14512715
  H     16.30347791      7.96287390    -12.17571120
  H     14.71034549      9.97372223     -7.78509254
  O     12.28060005     14.10259042    -14.81194161
  H     16.05286711     12.02346320    -12.15628687
  H     14.93692306      9.91215637     -9.31365081
  O     18.92230486     13.22124591    -11.21582320
  H     15.04780589     12.85820031    -11.33876835
  H     17.52736416     14.34817905    -10.46053536
  O     12.15561171     10.80291714    -10.18178230
  H     13.16418761     10.22106733    -12.94850387
  H     16.15662346     14.27384430     -9.74704708
  O     18.78749441     11.88979738    -15.96719959
  H     13.34553566      8.68885081    -13.02642245
  H     17.60854169     10.63135633    -12.66090995
  O     14.12613349      7.55443412    -14.35121748
  H     18.12477910     10.52480266    -14.87230045
  H     18.03288871     11.63395353    -11.52069203
  O     14.53017570     10.43385562     -8.60057561
  H     16.67765930     10.01047953    -14.70914474
  H     12.53864373     14.62165643    -11.61968647
  O     16.80943238     14.88824823    -10.11095390
  H     17.91436622     14.22912070    -13.91381100
  H     13.60855998     15.63696969    -12.10314784
  O     17.41965323     10.92730206    -11.75766248
  H     18.82422820     13.16629538    -14.58014655
  H     14.74011313     12.22725269     -9.11915809
  O     12.81300211     15.16178489    -12.37057636
  H     14.04439746     12.06926644    -13.33148427
  H     13.80958400     13.36612540     -9.61043017
  O     14.73590907     13.10979573     -9.51075136
  H     12.89564905     12.43615568    -14.30712284
  H     15.86626443     14.02792148    -13.26497251
  O     16.18109435     14.80776795    -13.74607339
  H     15.35780087     14.54173926    -15.38315211
  H     15.93817848     15.55861003    -13.19301916
          69
 Energy    -251.24178937053478     
  O     19.00928788     17.76740869    -14.48991834
  H     19.06755182     18.40797461    -13.77065575
  H     14.47076477     13.52152322    -12.93689032
  O     20.43675420     11.49188555    -14.36657297
  H     18.16499769     17.30449238    -14.37979641
  H     20.79147246     15.25360436    -13.50339648
  O     16.29182201     15.70973996    -11.60030213
  H     19.62524285     11.00677906    -14.17113090
  H     20.40535602     16.64281420    -14.10435790
  O     14.89929913     15.79345768    -16.36185730
  H     20.46565074     12.20791732    -13.71776243
  H     17.69482736     14.73595699    -10.92336388
  O     17.02291236     11.99745440    -11.71701921
  H     16.43089003     15.96197393    -12.52452951
  H     18.95946396     14.79461001    -10.03579437
  O     14.36958590     13.51182099    -14.65839372
  H     15.62052755     15.01611943    -11.61296308
  H     16.84920501     11.15890967    -15.02246172
  O     20.04472071     13.04793639    -16.59784955
  H     14.21931455     16.29069657    -16.81003708
  H     16.73478298     11.90600576    -16.40494733
  O     21.71099682     15.33097610    -16.49360122
  H     15.60267387     15.63334437    -17.01188021
  H     20.06552987     16.18608149    -17.02600488
  O     17.73803112     17.80985336    -10.40617645
  H     17.57441519     12.60619335    -11.21076443
  H     19.12641728     17.13835571    -16.26700481
  O     19.93463090     13.83000770    -12.86643298
  H     16.16237005     12.42693872    -11.79391439
  H     20.65737090     18.17298452    -11.65861639
  O     17.60209715     12.56684315    -17.84906733
  H     14.94892662     12.81731235    -15.00673144
  H     21.39929700     16.95195589    -12.22842464
  O     14.59451655     13.50327639    -11.97054177
  H     14.46520736     14.26362856    -15.25190636
  H     18.59801070     18.82452304    -11.53278607
  O     21.15191393     16.05660834    -13.91052157
  H     20.28798457     12.42632546    -15.89361445
  H     19.09376518     20.23357954    -11.93768280
  O     18.42275977     14.20035415    -10.57450716
  H     20.71539157     13.73886501    -16.63010915
  H     20.45229630     16.62491695    -10.06009569
  O     16.32736579     11.79041528    -15.53262195
  H     22.61126317     15.50843119    -16.75303008
  H     20.41403106     16.32673538     -8.54304628
  O     19.19326898     16.59500335    -17.06280211
  H     21.63282675     15.58655110    -15.55851476
  H     17.80460222      9.44081945    -13.38541535
  O     21.22886654     17.43529678    -11.41086430
  H     17.11414153     17.15615781    -10.74867489
  H     17.60030377     10.91120400    -12.95286861
  O     19.17892546     19.30773214    -12.14816612
  H     18.39572338     17.31241375     -9.90460771
  H     18.69520075     13.76996394    -15.53581763
  O     19.90852302     16.24484376     -9.34719625
  H     19.21166305     13.81249825    -13.51226884
  H     17.36302524     13.23759335    -14.96831268
  O     17.89004623     10.34127122    -13.68833461
  H     19.51606351     13.92526393    -12.00228800
  H     17.02440717     15.63004802    -19.07368254
  O     18.02251257     13.93406460    -14.86123818
  H     17.33226084     13.48078417    -17.99353227
  H     17.78667222     15.82832100    -17.74689405
  O     16.99897172     15.41531466    -18.14392616
  H     18.52851283     12.61886452    -17.57151541
  H     16.01179287     16.26886922    -14.91198806
  O     16.73747322     16.24369960    -14.27913181
  H     13.76063521     13.23850295    -11.59167251
  H     17.22656110     15.42608325    -14.47238438
          69
 Energy    -251.24012143546977     
  O     12.42331736      9.33961127    -16.53232093
  H     12.08384693     10.21047432    -16.25779072
  H     18.48841132      8.44653941    -11.24726326
  O     11.72270988      8.37522786    -12.56940386
  H     12.52136549      9.36975040    -17.48007695
  H     15.12498451      7.69027150    -13.10167783
  O     13.90736955      8.58549205    -14.27977334
  H     11.33203368      9.23749518    -12.37200976
  H     16.27353557      7.90870352    -12.07848992
  O     13.82202011     12.70213532     -6.88686317
  H     12.18127348      8.07097406    -11.77492187
  H     13.74397550     15.43593167    -11.57258856
  O     11.32350213     11.66918990    -15.64366534
  H     13.53177161      8.76495556    -15.15067078
  H     14.50569678     14.11956216    -11.30403219
  O     14.25454935      7.95179057     -7.82719605
  H     13.15126059      8.47321857    -13.68248566
  H     13.72644752      7.66099684     -9.59263371
  O     13.94640423     10.51650688    -10.63103906
  H     13.29832865     13.13919141     -7.58374503
  H     14.24220655      7.47539208    -11.06468673
  O     12.67939725     10.11012657     -7.33824695
  H     13.81856711     13.28426171     -6.13253892
  H     18.13243941     11.52470315    -13.19745742
  O     16.07095755     13.37977267    -11.00836285
  H     11.71566386     12.15670682    -14.90806464
  H     17.50732633     10.54517676    -12.17830286
  O     11.44235391     11.14598961     -9.65218340
  H     10.43700692     11.42048707    -15.35274234
  H      9.84037383     10.83621781    -12.94095302
  O     12.45422489     12.66719125    -13.23949463
  H     14.16318286      7.33549931     -7.10535207
  H     11.16425761     11.55078521    -12.56332593
  O     17.69980055      8.97987762    -11.31243991
  H     13.68828983      8.71563782     -7.61476517
  H     15.11310377     12.08967594     -8.07252179
  O     15.52776609      7.33863427    -12.29670496
  H     14.18189219     10.74542232    -11.53786419
  H     14.99932697     11.30605947     -9.41162281
  O     13.61804985     14.50249831    -11.41921629
  H     13.84116251      9.55631525    -10.59264031
  H     14.47469955     10.17587139    -13.70119481
  O     13.49060017      7.76267092    -10.52188360
  H     13.07035619     10.93786194     -7.03394521
  H     15.59608112     11.16096401    -13.21520388
  O     17.35053868     11.36515548    -12.67425832
  H     12.06914672     10.36056389     -8.04457929
  H      7.99597277     10.49691732    -14.77723627
  O     10.51283115     10.90442151    -12.25313746
  H     16.02275726     12.90988149    -10.16324765
  H      9.29737070      9.65886335    -14.73360549
  O     15.62772361     11.73608072     -8.80772439
  H     16.56770314     12.80095433    -11.59535026
  H     15.91763484      8.66689690     -8.46392441
  O     14.64342485     11.03794261    -13.29541293
  H     12.34080355     10.97575926     -9.97840660
  H     16.43948783     10.09403780     -8.70719610
  O      8.92161902     10.53991665    -14.55496005
  H     10.87655465     11.05407497    -10.42786881
  H     12.77706676     14.00954091     -9.77462074
  O     16.65748112      9.15983642     -8.83664589
  H     12.71840530     13.38315396    -12.65047789
  H     11.89992523     12.87878821     -9.19555241
  O     12.38771630     13.67990047     -8.95678177
  H     13.24470110     12.11514406    -13.34504415
  H     10.70429245      8.06732327    -14.12435295
  O     10.26345821      8.21201580    -14.97345445
  H     17.32608903      9.02752948    -10.41336620
  H     10.96466942      8.43677387    -15.59706732
          69
 Energy    -251.23936159748598     
  O      0.71047708      1.72585399      0.86180594
  H      0.29375091      2.02531074      0.04557586
  H     -3.39640162      4.25499040      3.67295482
  O     -1.58275073     -0.48769840      3.29778454
  H      0.55167284      0.77399644      0.90974751
  H     -2.43555102      4.10989157      0.65184332
  O     -4.27551159      0.33743861     -0.17439640
  H     -2.19654227     -1.19254141      3.53832328
  H     -3.57779946      3.70079802     -0.30205209
  O     -2.41620186     -2.89938034     -1.28381999
  H     -2.13999093      0.23516694      2.96890121
  H     -5.39341401      3.28277150      3.20075415
  O     -0.19312507     -0.93548594      0.98264919
  H     -4.63756910      1.20591870     -0.38783513
  H     -6.10311103      1.90436966      2.89305244
  O     -4.82039159     -0.47322215      5.68146000
  H     -3.44588801      0.20533155     -0.65511087
  H     -1.15985513      3.81573319      2.73635529
  O     -6.38893387      0.25670066      3.41762607
  H     -1.67210719     -3.22520701     -0.76095607
  H     -2.39851675      2.97347933      2.34877485
  O     -1.76032004     -0.12137716     -1.17192918
  H     -2.23762000     -1.96430187     -1.43954526
  H     -6.10685720      3.31636167     -0.61431183
  O     -5.28861830     -1.58284048      1.53745208
  H     -0.12343478     -1.88892208      0.85524243
  H     -5.52459336      2.91615950      0.76105655
  O     -2.62628330     -4.24109301      2.14197816
  H     -0.63754087     -0.80462143      1.83435217
  H     -4.24252378     -1.97501531      3.00220501
  O     -0.74798740      2.47774421     -1.49966857
  H     -4.30489341      0.35360952      5.70382194
  H     -4.06754239     -1.72798913      4.51979853
  O     -4.16376970      4.26310510      4.27015162
  H     -5.10959330     -0.63822575      6.57482368
  H      0.65926816      2.68863346      2.29909969
  O     -2.65099761      3.96723566     -0.27901443
  H     -5.95140631     -0.00597584      4.23695079
  H      1.39778819      3.65924267      3.24990986
  O     -5.73768396      2.71473384      2.50181339
  H     -6.17049263     -0.42259270      2.76659778
  H     -0.25509809      2.13442007      4.45903251
  O     -2.09149765      3.88338869      2.49227692
  H     -1.22850600     -0.40968133     -0.41433571
  H     -0.88796264      0.73411107      4.52504071
  O     -5.32759584      2.96502345     -0.19117044
  H     -1.40706782      0.73673947     -1.43649294
  H     -3.71543633      2.68715979      5.31523037
  O     -3.70332156     -2.21579305      3.77052717
  H     -5.20451159     -2.41885637      1.06263406
  H     -2.48051775      1.78252396      5.53311535
  O      0.55337974      3.24651854      3.09117880
  H     -4.97347264     -0.90397351      0.92287172
  H     -3.85836865     -3.50719205     -0.48274231
  O     -0.75974539      1.54766957      5.03272152
  H     -3.34217594     -4.26298008      1.49443273
  H     -5.03820189     -4.50754002     -0.47419727
  O     -3.43699542      1.84122861      5.67810917
  H     -2.93242436     -3.65720796      2.84815066
  H     -1.16869159     -3.92502246      1.23650831
  O     -4.57258019     -3.87613223      0.06747191
  H     -0.38890482      2.96486229     -2.23646646
  H      0.16478240     -4.44651506      0.64978026
  O     -0.43952503     -3.70969267      0.62693596
  H     -1.43320129      3.04069901     -1.09736868
  H     -3.42733917      0.99506165      1.31496644
  O     -3.22785272      1.39483571      2.17071697
  H     -4.20237784      5.13384794      4.65758549
  H     -4.07646306      1.70937784      2.50399622
          69
 Energy    -251.23602518804790     
  O     13.64064277     11.91815387    -13.90172980
  H     13.47270025     12.83873079    -14.08569010
  H     13.68989181      6.37974862    -16.64417973
  O     14.33329459      6.45154739    -13.49772887
  H     14.12204726     11.56139327    -14.66843231
  H     18.90603273      4.27624897    -14.95190244
  O     18.56587558      7.77691315    -11.82133320
  H     13.81032907      6.28666750    -14.29714223
  H     19.04736412      5.77927195    -14.59822316
  O     19.24515923      8.95264321    -16.39874197
  H     13.84577036      7.05369636    -12.91924850
  H     17.73083179     10.87338005    -14.59622485
  O     11.36595819      8.51227924    -16.24148409
  H     18.48454611      7.90794059    -10.86863212
  H     16.85785927     11.12324728    -15.83878224
  O     15.57804140      9.50330324     -9.23543045
  H     17.92601931      7.08958892    -12.06018167
  H     15.26382807      7.73637909    -14.34130792
  O     13.24123177      8.36595167    -11.82137074
  H     19.94139974      9.26043238    -16.97352564
  H     16.36017192      7.87430633    -15.43012752
  O     17.29365506      9.90469167    -13.04377359
  H     18.74013630      9.73971571    -16.12945264
  H     16.36342017      5.70055057    -10.71316416
  O     14.92589393      6.85431893    -18.04893576
  H     10.42717601      8.52594533    -16.40741542
  H     16.80872369      6.54225580     -9.49887507
  O     13.79797243      7.24594522     -9.32072524
  H     11.50315720      8.94907922    -15.38199455
  H     12.33749572     10.51728025    -13.86373178
  O     17.33072647      6.92701893    -16.67400162
  H     14.89086621      8.83072583     -9.15076386
  H     12.16156195      9.18208730    -13.11415134
  O     13.07543656      6.27400402    -15.90850452
  H     15.35145937     10.01853111    -10.02047190
  H     19.62167320      7.50834426    -13.34168742
  O     18.40860744      5.08170630    -14.83736079
  H     13.28597116      7.95584410    -10.94862771
  H     19.78344638      7.90631825    -14.83827382
  O     17.77551095     11.06890806    -15.54307062
  H     13.85742498      9.11282012    -11.80518694
  H     15.90763420      5.90770749    -12.87295835
  O     15.84241655      8.36905172    -14.78460945
  H     16.79116326      9.35418321    -13.66648200
  H     17.29246869      5.35205104    -13.29402439
  O     16.12652845      5.93240493     -9.80586629
  H     17.83738166      9.28631873    -12.54024971
  H     17.11158252      8.67064454     -9.14396221
  O     11.82486630      9.70041652    -13.85642017
  H     15.80288734      6.86250859    -17.63409986
  H     18.36466524      8.29478557     -8.31769648
  O     19.94743940      7.20267039    -14.19967515
  H     15.01187113      6.34874698    -18.85416366
  H     12.73623472      9.13884967    -17.39340875
  O     16.79967650      5.71063095    -12.54792998
  H     14.58562830      6.70027821     -9.49649976
  H     14.01946243      8.57435361    -18.02498310
  O     17.89886142      8.09707935     -9.12550188
  H     13.29684557      6.79744584     -8.64524355
  H     14.48421652     11.16485432    -12.38967870
  O     13.53140464      9.39383831    -17.88005122
  H     18.02605945      7.59919131    -16.70126143
  H     15.81824444     10.41480025    -12.16026748
  O     14.94839544     10.58877489    -11.77081519
  H     17.65120126      6.20179192    -16.12132869
  H     14.46763434     10.42288697    -16.72780179
  O     14.97569231     10.70777158    -15.95538843
  H     12.41832067      6.97364909    -16.01766110
  H     15.23400651      9.88589432    -15.51088559
          69
 Energy    -251.22831587800940     
  O     12.06845567     11.64333386    -13.63174280
  H     12.48620366     11.37475076    -14.46268304
  H     19.39840740      8.86286993    -15.28502252
  O     16.15928450      7.05508024    -14.12465505
  H     12.66830302     12.28227181    -13.23195021
  H     16.12135947     12.60612556    -15.22040699
  O     17.70750201      9.97941345    -11.07131253
  H     16.95399506      7.13030571    -13.57878210
  H     14.64399758     12.38675235    -15.59374484
  O     17.57359309     11.41147375    -15.11789371
  H     15.44244724      6.77453894    -13.54030266
  H     15.76746811      8.84811330    -14.14493554
  O     13.23975746      8.20676855    -16.86684720
  H     16.82923398     10.36359043    -11.20581645
  H     16.29893411     10.29484508    -14.44016942
  O     14.78393409      7.46322159     -8.84613707
  H     17.69351268      9.53543762    -10.21363930
  H     10.30062185      9.40929755    -12.29453001
  O     14.13080279      6.51581176    -12.33506183
  H     17.88370085     10.78973525    -15.79101723
  H     11.48873074     10.21110421    -12.87956253
  O     15.17827559     10.93616410    -11.65702032
  H     18.22686030     11.42646969    -14.40686217
  H     18.11754403      6.45403618    -11.03332622
  O     16.09703467      7.79209949    -16.78150504
  H     12.66243970      7.78154981    -17.49545435
  H     17.04974457      5.65106283    -10.24328497
  O     15.19594606      5.10968164    -10.14025676
  H     12.94207955      7.92368876    -15.98327026
  H     11.93398200      8.13878140    -13.80405000
  O     18.32209243      9.33362282    -16.82108033
  H     15.63401156      7.90616127     -8.74209491
  H     12.95486320      6.99644949    -13.74963752
  O     19.85901824      8.73723788    -14.44637503
  H     14.26029116      8.00694044     -9.45136455
  H     19.98578669     11.74700009    -12.54008777
  O     15.24733237     13.01579748    -15.17566817
  H     13.94912817      7.33778165    -11.85678930
  H     18.81930322     10.78314074    -12.22861962
  O     15.56704282      9.78804471    -14.06241460
  H     14.45152814      5.88813848    -11.67653481
  H     18.05566988      8.38496433    -12.03754150
  O     11.23184523      9.35496306    -12.49139531
  H     15.26556401     10.49833504    -12.52129162
  H     18.95589790      7.83974924    -13.17692515
  O     17.88943757      6.11756876    -10.15510937
  H     14.85777824     11.82643987    -11.84173698
  H     17.99953945      8.40767584     -7.93406483
  O     12.41669244      7.51553003    -14.35990973
  H     15.15946082      7.96005969    -16.92648349
  H     17.71382253      7.55598489     -9.19499373
  O     19.35412705     11.15937964    -12.94736870
  H     16.15052328      7.36085795    -15.91557800
  H     12.65064695      9.02309912    -11.34432753
  O     18.31805788      7.57688322    -12.49737163
  H     15.00730506      5.89815533     -9.59841654
  H     14.05676849      9.62554073    -11.08686186
  O     17.52353712      8.40803082     -8.76040186
  H     14.89657980      4.35381581     -9.64203338
  H     14.11411523     14.28058800    -12.47284470
  O     13.49642166      8.85771224    -10.90867706
  H     17.51980688      8.78231216    -16.85604160
  H     14.60144623     13.31050973    -13.57442643
  O     14.19148286     13.35603219    -12.69159674
  H     18.71491572      9.29760441    -17.68923879
  H     14.26398162     10.41005435    -15.14399164
  O     13.62495494     10.77474622    -15.77692772
  H     19.84767991      9.59464546    -14.00321535
  H     13.39055795     10.03063573    -16.34173132
          69
 Energy    -251.22478187091536     
  O     -3.55028133      1.15457048      1.33924533
  H     -3.81320618      0.29316334      0.96578525
  H     -0.53594602     -4.87253645     -0.97429939
  O     -3.67181577     -1.58382284      6.32565991
  H     -4.13990559      1.80436206      0.96496959
  H     -1.26069246     -5.39240237      1.13038892
  O      0.81678889      1.13885068      3.09137767
  H     -2.72057343     -1.71927607      6.42725905
  H      0.23546171     -5.76110381      1.03043108
  O     -3.67353026     -0.21515725      3.82576883
  H     -3.78339336     -0.97356131      5.58476182
  H      2.05060177     -0.38112837      3.33565931
  O      1.83641282     -2.67247928      5.76482899
  H      0.14767841      0.55538914      3.49216006
  H      2.45845981     -1.76398720      2.77303701
  O     -4.61918923     -4.00310948      5.52300137
  H      0.90770785      1.89177067      3.67086543
  H      0.36326322     -2.44167012      1.58466587
  O     -0.92900847     -2.37017305      6.10380536
  H     -3.79622436      0.38260733      3.08017173
  H     -0.96663384     -2.07124894      0.84547378
  O      0.88955967     -5.09349302      4.57211176
  H     -2.71323346     -0.34303406      3.88215014
  H     -1.56464782     -3.62278264      2.13251257
  O     -4.45673713     -2.78154910      2.92441132
  H      2.58027595     -2.64059409      6.36054738
  H     -3.05800353     -3.86861157      2.42821214
  O     -0.73941222      1.23920395      0.68007817
  H      2.07451734     -2.13075610      4.99111655
  H      2.07136123     -2.74750649      0.42099216
  O      1.79363845     -5.60408507      2.07826349
  H     -5.34222891     -4.31819019      6.05860704
  H      2.09826825     -3.83859783      1.54886349
  O     -0.51893912     -4.32125931     -1.77766390
  H     -4.35219919     -3.14096749      5.89026386
  H      0.95423270     -3.11541098     -1.53163092
  O     -0.58394250     -5.71906293      0.52227428
  H      0.03296701     -2.44117149      6.15356811
  H      1.16229846     -1.59320572     -1.39715979
  O      2.46759080     -1.21626147      3.57129570
  H     -1.25238489     -3.21586214      5.75907119
  H     -0.92701920     -1.26265663      4.69555594
  O     -0.56794792     -2.21822141      1.71224582
  H     -0.03916553     -5.13919635      4.82887349
  H     -0.84768053     -1.24089947      3.13041594
  O     -2.21109264     -4.32057713      2.31917846
  H      1.25448591     -4.30955928      5.00080624
  H     -0.21414965      0.44865745     -0.75833050
  O      2.10927612     -2.88847649      1.37934283
  H     -4.68262499     -3.27481022      3.72200159
  H      0.08898762      0.57278050     -2.26953759
  O      1.59627441     -2.44510982     -1.26526181
  H     -4.21049327     -1.89518736      3.22759983
  H     -1.28833609     -1.32534705     -1.18506682
  O     -0.99201459     -0.69303050      3.91843135
  H     -1.65878382      1.24601735      0.97221417
  H     -1.48488421     -2.86420911     -1.19486381
  O     -0.00120389     -0.05979450     -1.56204719
  H     -0.18509784      1.25424844      1.46895839
  H     -1.95110424     -4.68169250      4.05670445
  O     -1.81564612     -2.04280174     -0.80835530
  H      2.44234522     -6.30153371      2.12544494
  H     -2.82204423     -4.69287557      5.32007280
  O     -1.90710021     -4.75763606      5.02254042
  H      1.46951053     -5.46112085      2.98583162
  H     -4.40474186     -1.94973412      1.14550717
  O     -4.20009020     -1.31607237      0.44874616
  H     -0.67381795     -4.90499243     -2.51496957
  H     -3.43946755     -1.66188139     -0.03945228
          69
 Energy    -251.22405204505009     
  O     -6.06732177      2.79523028     -1.10875024
  H     -6.96553494      3.10051285     -1.20227984
  H     -3.17690188      1.19514100      1.59850619
  O     -1.79644952      2.46943352     -3.90200672
  H     -5.83666894      2.89439643     -0.16750040
  H      0.29677546      2.77970723      1.50434892
  O     -5.32151489      3.01685921      1.50020312
  H     -2.48975057      2.93151367     -3.39658215
  H      1.22522672      2.32258104      2.65587178
  O     -2.43278981     -1.62846491      2.36806438
  H     -1.81044310      2.84307896     -4.77985697
  H      0.45291450      3.21694715     -0.87205963
  O     -0.40714782     -0.11045455     -0.93514898
  H     -4.91881878      2.24331313      1.91513196
  H      1.41203334      3.93136819      0.11353110
  O     -2.97674221     -0.12438095     -3.49868316
  H     -4.77865328      3.76747409      1.76947761
  H      2.84624583      0.38210477      0.27181670
  O     -3.53749155     -1.93223023     -0.09125699
  H     -2.84367745     -1.77197417      1.49601350
  H      1.93738553     -0.29767326      1.33373783
  O     -1.72250331     -2.16659765     -2.28523154
  H     -2.61878714     -2.40525251      2.88899756
  H      3.09195515      1.35023893      2.29553185
  O      0.48553955      2.03398205     -2.28830198
  H     -0.19661416     -0.33231235     -0.01759956
  H      3.66732693      2.00366012      3.57702354
  O      0.06320209     -0.42669609      1.73567319
  H     -0.78592818     -0.88778326     -1.36335605
  H     -5.31986624      1.06384729     -1.32134541
  O      3.03868199      1.43059724     -1.36945974
  H     -2.55551774      0.71961279     -3.69600331
  H     -3.88187285      0.79971883     -0.86407551
  O     -3.58058426      0.97491795      2.45420697
  H     -3.67116488      0.06337608     -2.85097091
  H     -2.63350004      2.28134437      3.37462485
  O      0.31289746      2.29444419      2.34060777
  H     -4.09806646     -1.22847323     -0.44341498
  H     -1.19832622      2.82782430      3.26666865
  O      0.47829577      3.75284941     -0.06775572
  H     -2.94270171     -2.17114143     -0.81218429
  H     -1.74425404      1.04426633     -0.36271919
  O      2.83116613      0.03021685      1.17036913
  H     -1.51194373     -2.88519308     -2.87421957
  H     -2.35827809      2.47875083     -0.12625478
  O      3.08853502      2.16095863      2.83642186
  H     -2.17061103     -1.48239082     -2.81775296
  H     -1.23417595      4.32476987     -0.09274349
  O     -4.64047568      0.38115843     -1.30194976
  H      0.20330716      1.21729019     -1.84308194
  H     -2.57381321      4.65302992      0.65171583
  O     -2.08011201      3.04255134      3.59817996
  H     -0.21574242      2.25444924     -2.91247017
  H     -4.52226601      3.44001880     -2.08196938
  O     -2.49708306      1.53104024     -0.00774736
  H     -0.74282689     -0.85341606      2.05113899
  H     -3.18744561      4.10014659     -1.68160807
  O     -2.19795472      4.32832950     -0.17620108
  H      0.04073902      0.49940135      2.02023725
  H     -2.88984727      4.35174400      2.82247656
  O     -3.67769826      3.74048881     -2.43539728
  H      3.64349559      1.19225280     -2.06860555
  H     -3.48251249      5.78278663      2.79364364
  O     -3.38028980      4.99103462      2.27330460
  H      2.20070893      1.66406372     -1.79925915
  H      3.27340713      3.30835241      1.29726417
  O      3.18200522      3.70001616      0.41948373
  H     -3.32328904      0.06282084      2.62214860
  H      3.29726329      2.97014919     -0.20245041
          69
 Energy    -251.22262305633808     
  O     14.88733958      9.17674531    -10.38304852
  H     14.96456977     10.01880419    -10.85518199
  H     13.13232873      5.41689608    -15.74826797
  O     13.59531344     12.04306972    -15.27665671
  H     13.99652475      8.84737503    -10.55509545
  H     17.13533031      2.32194761    -12.62122656
  O     17.53078002     10.64283183    -13.23232648
  H     13.88358759     12.71616204    -14.64752195
  H     16.82399835      3.69198854    -13.26977351
  O     12.84118179      5.76431131    -12.19774879
  H     13.24378893     11.31482895    -14.74877262
  H     12.49237815      7.36759131    -11.62206684
  O     16.97088263      5.68875097     -8.97696885
  H     18.11766086     10.33046920    -12.53435148
  H     11.52263326      8.25147809    -10.80623641
  O     17.14035154     13.00783537    -14.73150079
  H     16.67192033     10.81855111    -12.82242053
  H     17.68089519      7.59593576    -15.58024218
  O     15.97521590      7.36622807    -12.26419694
  H     13.57260514      5.35208921    -11.71961111
  H     18.36507311      6.88241186    -14.40509287
  O     15.02206901     11.27973402    -12.15104223
  H     13.01158295      5.59941648    -13.13315291
  H     15.74668935     13.62075993    -13.86581795
  O     18.73388135      7.21256131    -12.61851821
  H     16.77151690      5.22919336     -8.16483642
  H     14.88517159     14.71929392    -13.19452060
  O     19.08544652      9.56997150    -11.11349948
  H     16.29561700      5.42075632     -9.62186669
  H     13.60893906      9.19803445    -14.00770036
  O     16.34733765      4.55514928    -14.65490554
  H     16.80970109     12.63354881    -15.55786519
  H     12.66258388      9.38984173    -12.80272079
  O     13.62756399      5.52719544    -14.94034859
  H     17.47151305     12.25739263    -14.21943593
  H     15.59295132     11.91512866    -17.76330665
  O     17.02990900      3.24832287    -12.42511012
  H     16.93513962      7.35590230    -12.38138978
  H     14.95356813     11.76593838    -16.36205941
  O     12.34240178      8.27205952    -11.29330201
  H     15.74394944      8.01678919    -11.59025196
  H     15.80009875      4.27079019    -11.49332666
  O     17.95351180      6.72639867    -15.26689744
  H     14.96087858     12.20832946    -12.40516606
  H     15.52204254      5.79520872    -11.55130372
  O     14.91059318     13.78781149    -13.39361703
  H     14.34724156     10.80934490    -12.66309922
  H     18.32913359      4.31260683    -11.52756687
  O     13.07172440      9.85673056    -13.54085633
  H     18.90006024      6.42838461    -12.07287839
  H     18.35043973      5.17500659    -10.25134145
  O     15.78036862     11.65722158    -16.86478698
  H     19.03994854      7.98594506    -12.13242055
  H     15.16157560      7.70286787    -13.79053108
  O     15.30091575      4.98127692    -11.06885914
  H     19.84672927      9.93665488    -10.67188831
  H     15.44445838      8.43420997    -15.12262994
  O     18.85016141      4.97245095    -11.05094958
  H     18.50193325      9.21286425    -10.41985982
  H     16.46432731      8.79821373     -9.49816913
  O     14.75143658      7.98129337    -14.62542995
  H     16.89846633      5.29543604    -14.95111622
  H     17.30089839      7.55494420     -9.13797311
  O     17.36560576      8.50181535     -9.31064589
  H     15.43023032      4.80688995    -14.80013980
  H     17.19959513      9.75432665    -14.81728453
  O     16.89740069      9.37026786    -15.65356632
  H     13.98110595      6.43386338    -14.94934453
  H     16.57677037     10.10386922    -16.19190823
          69
 Energy    -251.22248936956237     
  O     14.46221540     10.23862759    -15.64926770
  H     14.36814677     11.11937254    -15.29465794
  H     20.24521001      5.73515742    -16.34088447
  O     13.80763658      3.63477729    -16.15194048
  H     14.85963378      9.69603589    -14.94719561
  H     18.85892948      7.84309603    -17.07800302
  O     17.37696044      7.46564503    -12.14292843
  H     13.04654205      3.16192728    -16.47985743
  H     17.56083640      7.73835103    -16.25240704
  O     19.80518168      6.42138284    -17.95674000
  H     13.79287948      4.51504096    -16.56887831
  H     15.54519016      6.38245552    -16.19770670
  O     17.46183562      5.47477024    -18.82376830
  H     18.18519932      7.57483830    -12.66448246
  H     16.79868892      5.78128444    -15.48216448
  O     13.13763178      7.04099640    -10.33711726
  H     16.68177314      7.93044147    -12.62956809
  H     12.56433750      7.76805580    -14.86233595
  O     14.11155250      4.56927999    -13.50283809
  H     20.34878265      6.59821905    -18.71951230
  H     13.07602652      8.87486501    -15.80940966
  O     15.38803889      8.41286580    -13.81805517
  H     18.96901356      6.04342393    -18.28976610
  H     16.15598369      3.31076847     -9.32045066
  O     17.82861190      4.30596663    -15.03055084
  H     16.73152573      6.05961386    -19.05161542
  H     15.06025794      3.98522773    -10.18259015
  O     13.42859618      4.21258254    -10.78926633
  H     17.08180357      4.71022577    -18.36599788
  H     13.41181950      6.81738668    -16.73804744
  O     16.46015009      3.40723115    -17.27363537
  H     14.09380712      7.05911233    -10.15127980
  H     14.31427995      6.50208038    -17.98442056
  O     20.39138733      5.40140656    -15.44049917
  H     12.71055264      7.50820471     -9.62426224
  H     19.06594302      8.14686470    -14.76518218
  O     18.25829754      8.35649728    -16.52512854
  H     14.03735253      4.15890668    -14.37230110
  H     19.85810339      6.92002544    -14.32262518
  O     16.30881907      6.59603250    -15.64783545
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  H     16.99436088      5.70486210    -12.42197728
  O     12.57801080      8.04905536    -15.78738536
  H     14.55587851      8.03274572    -13.50269372
  H     16.62429158      4.39703866    -11.67220777
  O     16.00742502      4.00592760     -9.95504730
  H     15.75328073      7.77356163    -14.45089970
  H     16.44124674      7.18394926    -10.54255049
  O     13.96915782      6.14368429    -17.15766588
  H     17.55698428      4.34449673    -14.10243191
  H     15.98809783      5.93784658     -9.75558446
  O     19.41903255      7.70697128    -13.98142020
  H     18.74372316      4.60557207    -15.08817704
  H     15.00650606      7.56629058    -20.19663441
  O     16.76669346      4.77234586    -12.54938453
  H     13.16820171      5.11565694    -10.56912760
  H     15.55655169      8.10504868    -18.85359751
  O     15.81332872      6.87944590     -9.87374695
  H     13.52391642      4.19649979    -11.75172933
  H     13.36190344      6.21139257    -13.32526536
  O     15.28801767      7.29653523    -19.32663886
  H     15.55634839      3.33340995    -16.94956201
  H     12.94669621      7.17290697    -12.18456305
  O     13.04335106      7.10833432    -13.14277125
  H     17.00017200      3.56113753    -16.48496612
  H     16.89942998      9.24222822    -17.45931865
  O     16.05494949      9.44942212    -17.88195444
  H     21.24522847      4.97544652    -15.43940115
  H     15.48295963      9.79260335    -17.18503114
          69
 Energy    -251.21886592964569     
  O     -0.02600322      1.11084225      4.20423967
  H      0.08773104      0.50436993      4.93112524
  H     -3.03170423      5.87109831      0.41732526
  O     -3.92818566      0.95122737     -1.20052055
  H      0.86639782      1.39326016      3.93676194
  H     -3.38430190      3.83462153     -0.21030094
  O     -3.63571697      2.79793787     -3.16009432
  H     -4.03199849      1.43395162     -0.36946970
  H     -3.48297431      4.07810264     -1.73438980
  O     -3.70150144      4.44309197      3.20177356
  H     -3.07642494      0.49944674     -1.13704302
  H      4.09780160      5.06255067      3.33642975
  O     -1.19951141      0.20356425     -0.86816366
  H     -3.83200041      2.09241407     -2.51607325
  H      3.37884215      4.76404753      2.00061126
  O     -0.87619842      2.23141481     -2.78954714
  H     -4.28831770      2.73070594     -3.85146784
  H      0.38190171      3.93969134      1.67697516
  O     -0.13751212      7.18145204      1.57299525
  H     -2.88640046      4.15252185      3.65014650
  H      0.01203839      3.81803849      0.16156706
  O      2.44344730      1.88279895      3.31475116
  H     -4.31212915      4.70472560      3.88555917
  H     -3.82586270      3.19440437      1.83996344
  O      2.35642871      1.54006658      0.52115467
  H     -1.24101579      0.47881514      0.06004458
  H     -2.87633552      2.07244240      1.37514122
  O      1.50851537     -0.55960817     -1.03295644
  H     -0.34316698     -0.22577803     -0.98060569
  H     -0.68446487      4.22308100      3.99656791
  O      3.30256436      5.09547008      0.28894229
  H     -0.99268032      1.54840562     -2.11246256
  H     -1.00072696      2.77233821      4.39872895
  O     -2.75300970      6.32193469      1.22299110
  H     -1.76164955      2.44540898     -3.10742774
  H     -0.96583103      1.01361274      2.57105114
  O     -3.24763311      4.50090508     -0.90047965
  H      0.30753342      7.13461812      0.72045221
  H     -0.77100181      2.01638557      1.41949832
  O      3.36621174      4.58243894      2.95772575
  H     -1.07234157      6.97417792      1.41767044
  H      0.37994941      5.89794434      2.62834731
  O      0.28196518      3.32034537      0.94168443
  H      2.53559247      1.59751688      2.39635984
  H      1.56637425      5.01978927      3.16470109
  O     -3.65341598      2.58485567      1.11060956
  H      2.79349598      2.78176071      3.32957677
  H      0.60022041      5.94205701     -1.17017703
  O     -1.38728556      3.65213061      4.34182916
  H      1.63410900      2.17079402      0.67003019
  H      1.27154078      7.25136164     -1.64370003
  O     -1.28406418      1.23690609      1.68956791
  H      2.97273038      1.97796667     -0.07868145
  H     -0.49723849      3.81647532     -1.95373466
  O      0.60760585      5.07181042      3.08432930
  H      1.81065792      0.11476695     -0.39982975
  H     -1.46683865      4.71979651     -1.17117435
  O      1.23154842      6.63615549     -0.91550538
  H      1.98900920     -1.35949284     -0.83601927
  H      3.05758518      2.52273900     -2.10400653
  O     -0.53256405      4.60410476     -1.39531843
  H      2.63942053      5.68514845     -0.09077052
  H      4.56484634      2.82600727     -1.96183217
  O      3.72507372      2.92382827     -1.51994759
  H      3.46406998      4.41327204     -0.37323949
  H      0.93876406      1.85869605     -3.08111398
  O      1.85014808      1.56581973     -2.95141722
  H     -3.07884024      5.77394703      1.94723996
  H      1.78260712      0.73435319     -2.46598390
          69
 Energy    -251.21850303945513     
  O     15.38651928     10.93269077    -15.52230796
  H     15.97348549     10.81012282    -16.27491929
  H     19.22147225      8.00544558    -16.85940261
  O     13.41945116      5.81083714    -15.24334939
  H     15.95785218     11.05326255    -14.75409765
  H     16.50749543      6.67706709    -15.52074288
  O     17.39371137      6.48645131    -11.77044861
  H     13.07047971      6.27529816    -16.01245198
  H     17.44029102      7.93851665    -15.62597343
  O     19.50282943      6.26752477    -17.45138181
  H     13.42898727      6.45856038    -14.52248316
  H     13.03414673      8.96746191    -14.51225915
  O     16.97841110      5.79695377    -18.28445882
  H     18.31585003      6.74503785    -11.88583654
  H     13.80896598      9.99724866    -15.38632716
  O     12.88199363      5.82148699    -11.07611681
  H     16.86037287      7.22912358    -12.08953097
  H     15.28373271      1.77551612    -12.11782091
  O     15.92711251      8.54045457    -12.88406498
  H     18.62116749      6.06811273    -17.81391997
  H     14.60553596      3.06247630    -12.64580592
  O     15.98516199      4.93974329    -15.85939365
  H     20.14001078      5.91692639    -18.06799441
  H     12.70166597      8.34396780    -16.61494149
  O     13.16186708      3.89053105    -13.17765957
  H     16.41333068      6.57442676    -18.36712675
  H     11.78811770      7.76127158    -17.72448775
  O     19.30578053      9.69192756    -13.79020619
  H     16.61817045      5.30778389    -17.52912857
  H     19.94532207      6.62257957    -13.34659330
  O     19.64477552      5.52467390    -14.65883852
  H     12.34016657      5.83069054    -10.29185070
  H     20.84571693      7.02501661    -12.15489294
  O     18.91109167      8.79310038    -16.39422732
  H     13.78017533      5.56979672    -10.79498301
  H     17.32584613      5.07110200    -12.94329270
  O     16.56519289      7.62814016    -15.36083680
  H     16.12162860      8.24567672    -13.78978200
  H     16.77854131      3.63532701    -13.12373449
  O     13.01563123      9.44363673    -15.35127506
  H     16.23169929      9.45302777    -12.82588553
  H     16.13562151      5.51788001    -10.78741196
  O     15.42955825      2.70544794    -12.26761147
  H     16.41148197      4.61050689    -15.05689869
  H     15.47822618      4.13181601    -10.95364982
  O     12.62553708      7.63861615    -17.28703391
  H     15.06485065      5.15097503    -15.64712002
  H     14.38085667      7.93661730    -17.81040277
  O     20.00678642      7.20812013    -12.56992274
  H     13.15206148      4.41876506    -13.98573453
  H     15.64305397      7.98736735    -16.91926569
  O     17.32769949      4.31027504    -13.54220813
  H     12.91401586      4.49511651    -12.46655537
  H     13.09301761      7.12129056    -12.39644968
  O     15.39413593      4.97386088    -10.48986881
  H     19.28816262      9.44010584    -14.72410245
  H     14.23707483      8.00573684    -12.95939913
  O     15.33288237      8.08896125    -17.83277047
  H     19.57338775      8.90121181    -13.30745399
  H     17.91310382     10.63082830    -13.38925422
  O     13.35067085      7.66422286    -13.15088346
  H     19.58116804      5.69181179    -15.60530571
  H     17.26998099     11.84399610    -12.67268771
  O     17.06636796     11.07250073    -13.19369782
  H     18.90805668      4.95088910    -14.41148599
  H     16.36311231      9.51861508    -18.02629936
  O     17.00941956     10.23468675    -17.89874248
  H     18.38381009      9.32659502    -17.00375487
  H     16.95108373     10.79905060    -18.66550505
          69
 Energy    -251.21578633638208     
  O     15.55063216     10.45143934     -9.37537244
  H     15.71835073     10.86174784     -8.53075989
  H     14.02767190      7.98237566    -13.96350576
  O     12.28725490      6.71673075    -11.46456333
  H     16.36088134      9.96668516     -9.61846590
  H     15.24959040      5.33455867    -15.85260887
  O     17.28753919     10.12547645    -15.01725262
  H     12.76899273      5.96387419    -11.82768815
  H     14.27564308      6.20247287    -14.99819010
  O     17.67325232      8.47391029    -12.83231916
  H     12.86372249      7.11613901    -10.79968806
  H     16.47848396      5.77384315    -14.23483145
  O     16.51684634     12.56189872    -13.84913290
  H     16.46364915      9.86355995    -15.45051252
  H     17.98955269      5.81039922    -14.57193707
  O     14.27359134      7.96773486     -9.90001893
  H     17.12963833     10.99794774    -14.63382991
  H     14.68906769      8.28639775    -11.68047039
  O     14.87484719      9.47916051    -16.37953172
  H     17.66596325      9.07063388    -13.59337198
  H     15.87456151      8.60571705    -12.63346643
  O     14.09759505     11.83365418    -15.25515438
  H     17.64482213      7.56905158    -13.17349314
  H     14.11912941      4.74681826    -13.49008797
  O     16.30310786      5.54225812    -17.28059776
  H     16.04511449     12.41733720    -13.00951604
  H     13.38556581      3.65093427    -12.68793751
  O     11.16968591      8.45560616    -13.22974281
  H     16.93109710     13.41834552    -13.78514188
  H     13.77128471     10.00440457    -12.79897267
  O     16.33799744      4.94581419    -11.41849900
  H     14.97895747      7.38812008     -9.58119777
  H     12.25100658     10.05957798    -12.99023607
  O     13.46477550      7.75781292    -14.72361273
  H     14.52769323      8.86454150     -9.64628001
  H     16.50075698      5.85399271     -9.98120917
  O     14.81412652      5.39740561    -14.98998336
  H     14.33891028      8.84568043    -15.88417286
  H     16.76719775      5.87845256     -8.45697235
  O     17.35573288      5.90600703    -13.84984363
  H     14.55654398     10.36147292    -16.13605873
  H     19.80051160      5.55102562    -16.40803834
  O     14.91248410      8.58844385    -12.56925331
  H     14.88805177     12.23828763    -14.87867297
  H     18.89964638      6.80994998    -16.39623235
  O     13.77880476      4.51725230    -12.60865349
  H     13.60019314     11.48926252    -14.50043477
  H     17.41057982      8.02901931     -9.73983631
  O     13.03132941     10.61985672    -12.92072368
  H     16.20442100      6.38524871    -17.74057437
  H     17.79649336      8.79602878    -11.02457562
  O     16.52071877      6.42930438     -9.19458959
  H     17.22389062      5.51087917    -16.99347014
  H     15.90543524      8.50031336    -19.24626407
  O     18.93880869      5.86742263    -16.15185693
  H     10.22144046      8.36085133    -13.23814173
  H     15.66708879      8.68595803    -17.73012739
  O     17.65278787      8.90184926    -10.07378086
  H     11.50812660      7.83179606    -12.56146897
  H     15.22197889     11.58193943    -10.84622661
  O     16.18135099      8.18735520    -18.38872443
  H     15.44850950      4.73569888    -11.72703747
  H     14.18527870     11.76590328    -11.97092425
  O     15.02121570     12.10942484    -11.62845900
  H     16.83608980      5.20616076    -12.20434933
  H     17.86446167      8.40420123    -17.52168101
  O     18.59099467      8.45049137    -16.88666159
  H     12.56495439      7.95029746    -14.43807039
  H     18.32329236      9.11002338    -16.23404874
          69
 Energy    -251.21037331952965     
  O     -5.94755500      1.01286514      0.90576035
  H     -5.43052622      1.77649848      0.61172882
  H      1.71621076      3.92219313      1.94012722
  O     -6.63585904      2.14905510     -3.57502477
  H     -5.81214398      0.94781518      1.85913137
  H     -1.79227902      5.04998613      1.12598561
  O     -5.12317896      0.82588302      3.59255594
  H     -6.13491587      1.35988171     -3.85391204
  H     -1.19403297      4.82387162     -0.28214286
  O      0.22222405     -0.84886089      0.18403915
  H     -7.19422500      2.39385074     -4.30824475
  H     -3.48849238      2.62077002      0.26780102
  O     -2.38449845     -0.61827540     -0.86100794
  H     -4.51521044      1.58192706      3.68235063
  H     -4.37174607      3.20257395     -0.86305219
  O     -5.13484966     -0.04577304     -4.10751152
  H     -5.61213454      0.76774240      4.40903536
  H      0.58502084      2.28644583     -3.75119172
  O     -4.81673950     -1.45057276      0.15418665
  H     -0.61366451     -0.99462284     -0.28036568
  H      0.18998671      2.06360714     -2.27222505
  O     -2.63395977      0.87945163     -3.16471113
  H      0.01300804     -0.94934570      1.12070464
  H     -6.98272201     -2.48489488     -2.43230736
  O     -4.18336374      3.16395566     -2.64156618
  H     -3.20653067     -1.04032643     -0.58234504
  H     -6.85140314     -1.03439403     -1.90611787
  O      0.59410998      1.74552392     -0.60007531
  H     -2.28994634      0.16378009     -0.29520462
  H     -0.65783412      0.87366151      3.12154093
  O     -0.67650851     -0.96947530      2.90567753
  H     -5.40795482     -0.75301744     -3.51091542
  H     -0.12604138      2.29798062      2.72303593
  O      0.98010442      3.38904297      1.65352399
  H     -4.21711564      0.16912158     -3.89307016
  H     -3.93888015     -0.53986364      3.00597439
  O     -0.96125664      4.94448722      0.65066173
  H     -5.31237327     -1.76016338     -0.61358467
  H     -3.81459828     -1.46581460      1.78375790
  O     -4.31831536      3.09499123      0.09550597
  H     -5.20723974     -0.59772758      0.39711259
  H     -1.76563583      1.72173625      1.47807311
  O     -0.16122791      2.26345581     -3.15783437
  H     -2.53636127      0.28944960     -2.40270916
  H     -1.20850241      1.91145014      0.05204922
  O     -6.34542629     -1.82238784     -2.17855667
  H     -1.77418203      1.29375696     -3.30500578
  H     -3.93509602      4.40359906      1.22486084
  O     -0.86794959      1.81712482      3.11205223
  H     -5.06302988      2.98658846     -2.99571711
  H     -4.12525982      5.78189875      1.90058163
  O     -3.35686644     -1.18451227      2.58525762
  H     -3.65565128      2.37141943     -2.82141203
  H     -7.29820947      1.17723620     -2.03160827
  O     -2.01625791      1.72463041      0.54642790
  H      0.90357130      2.28313489      0.13834490
  H     -7.10475885      0.75191619     -0.54994525
  O     -3.56642978      5.00872541      1.89165860
  H      0.59174791      0.81576554     -0.32073812
  H     -2.45123067      2.54548189      3.67614790
  O     -7.51729744      0.49487668     -1.38560611
  H     -0.39250963     -1.64300744      3.51818644
  H     -3.42397983      3.66232461      3.22915057
  O     -3.36141115      2.86142527      3.76242657
  H     -1.63692437     -1.08753651      2.78696058
  H     -1.11162572      3.80035755     -2.47089833
  O     -1.67928586      4.41123452     -1.98662190
  H      0.30171393      4.00307387      1.31152664
  H     -2.57874907      4.18202209     -2.24901451
          69
 Energy    -251.20995958913790     
  O     -2.85763440      3.89381029      2.92424435
  H     -2.91661455      2.98734048      3.26221814
  H     -5.75152025     -2.82575144      4.21312984
  O      0.37085092      4.16810217      0.38566240
  H     -2.70692710      3.84207365      1.96823037
  H     -3.38944583      0.98570879     -1.44834246
  O     -0.89486905     -0.31638921      3.20473912
  H      0.94843438      4.87596723      0.11235628
  H     -3.51020105      1.11094559      0.08552909
  O     -4.55106738     -1.97166050     -0.98353188
  H      0.29386084      4.22568721      1.35572810
  H      0.96258345      2.32519379      0.52705401
  O     -2.25430029     -2.77587530      0.17888899
  H     -0.14935178      0.22662619      3.48793003
  H      0.59655719      0.81614396      0.56178491
  O     -4.61238703      0.82224498      1.41972946
  H     -0.88320870     -0.30291761      2.23582312
  H     -2.51870509      2.91088117     -0.20343806
  O     -5.47252826      4.72814444      2.84027272
  H     -5.25885115     -1.87471099     -0.33156121
  H     -1.47049009      4.00902216      0.10831353
  O     -8.15180301      0.78753378      0.93849815
  H     -4.63664079     -1.22661290     -1.58988825
  H     -4.28934639      4.09855821     -0.05142160
  O     -3.10683141      1.26472281      3.68422164
  H     -3.06974574     -2.50177311     -0.27895753
  H     -5.45049811      4.40365669      0.90207057
  O     -4.76501970      0.39803694     -2.56424948
  H     -2.01034247     -3.62498012     -0.17955429
  H     -4.72040407      0.87070630      4.59388477
  O     -6.33393294     -1.37562415      1.07012982
  H     -5.07357469     -0.00920170      1.25441348
  H     -5.68788913     -0.30993949      4.43358231
  O     -5.54577853     -2.06773564      3.67203850
  H     -5.28544662      1.44856435      1.71453697
  H      0.32907412      3.26613534      3.40201279
  O     -2.89712485      1.23437676     -0.65771879
  H     -4.53245192      4.50856896      2.95633594
  H     -0.96550273      4.10217017      3.20982664
  O      1.25214039      1.46442292      0.85266897
  H     -5.61529684      5.56361048      3.27716686
  H      1.31179759      1.49571547      2.59641077
  O     -2.41106815      3.80182562      0.16207076
  H     -7.74025916      1.35049405      1.61786835
  H      2.06520043      1.44803317      3.94864949
  O     -5.25146699      4.06290111      0.02360542
  H     -9.09372778      0.92298654      1.00138005
  H     -6.38735561      3.11499235      2.84937834
  O     -5.64856617      0.61819875      4.69547224
  H     -3.60903586      1.01893331      2.89154336
  H     -6.42646740      1.69329866      3.50979839
  O     -0.00931507      4.10907782      3.07596056
  H     -2.29765240      0.73982840      3.65437944
  H     -2.74579751     -2.51886545      1.99424893
  O      1.19683796      1.53538776      3.56417285
  H     -4.90880126      0.50366790     -3.50031565
  H     -2.23491349     -1.68485390      3.18143039
  O     -6.70884658      2.21267685      2.73994256
  H     -5.43980739      0.93931390     -2.11357276
  H     -1.21018654     -1.22435804      0.26377172
  O     -2.95668077     -2.25982199      2.89975825
  H     -6.21597944     -1.66733621      1.98426455
  H     -1.53684635      0.25522587     -0.01782952
  O     -0.88184599     -0.32621693      0.39477073
  H     -7.06858375     -0.74904108      1.03899455
  H     -7.14190316      1.55059663     -0.56325060
  O     -6.53338432      1.91634504     -1.21249193
  H     -4.60421334     -2.14526729      3.43142134
  H     -6.12908551      2.69966775     -0.80941812
          69
 Energy    -251.20808345923177     
  O     20.19239942     10.50067179     -9.70241919
  H     20.59795253      9.94616477    -10.39353461
  H     16.98710336      9.95043869     -9.37783741
  O     17.82576326      5.53862230     -9.62364570
  H     20.75467449     11.26373478     -9.59705604
  H     21.61167645      8.06145953    -10.95156883
  O     16.43690511      4.79446117    -12.78591892
  H     16.95029466      5.15312402     -9.74901636
  H     20.81995638      8.40092864    -12.22957488
  O     15.76362375      7.43643744    -13.41022645
  H     17.84577184      6.32208256    -10.19565804
  H     14.71021829      9.90412894    -12.37854967
  O     19.50007842      7.51708929    -13.27521777
  H     16.10619540      5.64015598    -13.11910053
  H     13.17782197      9.74700615    -12.55366154
  O     15.18482605      4.89650032    -10.19548281
  H     15.98325066      4.64995762    -11.94716292
  H     19.22332618      4.02288515    -14.04607335
  O     17.70158201      9.18892508    -14.52756099
  H     16.33947288      8.00293123    -13.94002806
  H     18.14427986      4.70424862    -13.17693737
  O     21.93106112      6.64331241     -9.79032600
  H     15.01890613      7.98154465    -13.12765538
  H     13.10794319      5.90175753     -7.80187012
  O     15.75113737      6.04626503     -6.02531310
  H     19.49547981      6.57372663    -13.47775288
  H     13.19826019      7.09409207     -8.76547395
  O     17.65418830      7.73376531    -11.27513151
  H     18.94618458      7.60604839    -12.48168468
  H     15.44022883      8.91377197     -7.48651463
  O     20.40387356      8.22349392     -7.93689188
  H     14.90984715      5.82427837    -10.24269144
  H     16.79279041      8.27584260     -7.89082788
  O     17.45558073     10.27626188    -10.15960153
  H     14.83851450      4.56287927     -9.35819402
  H     14.20697138      8.20782033    -10.78122303
  O     21.30059097      8.79902715    -11.49444084
  H     18.42609247      8.64790226    -14.17177189
  H     15.06206235      8.05300356     -9.48604270
  O     13.96435322      9.28493493    -12.27768692
  H     17.97331594      9.47221067    -15.39700342
  H     18.86304321      7.48034680     -7.40333801
  O     19.08715599      4.72969692    -13.42070319
  H     21.34945005      5.95054563    -10.15099985
  H     17.96222603      6.42129230     -8.08203856
  O     12.78301859      6.79971530     -7.94268643
  H     22.75137999      6.21678955     -9.55737910
  H     13.54551771      7.88874639     -6.78897711
  O     16.10577780      8.89313486     -8.18474405
  H     16.61792930      6.33216015     -6.34560769
  H     13.56657896      8.88613319     -5.60505514
  O     14.43799971      7.59961768    -10.06964526
  H     15.23594051      6.85377864     -5.91413381
  H     16.66717108     10.73598020    -11.73824927
  O     17.99789643      7.05113390     -7.34691214
  H     16.90964648      7.60871521    -11.87725806
  H     16.78853301     10.36566233    -13.23919014
  O     14.12727281      8.43268235     -6.22818655
  H     17.58649484      8.61839954    -10.89436844
  H     19.40593721      4.91374839    -10.28184896
  O     16.20207853     10.76603714    -12.58735368
  H     20.94690083      7.64645272     -8.48844775
  H     19.94741813      4.69989922    -11.70268556
  O     20.22483423      4.79895919    -10.78542664
  H     20.32969760      9.05230716     -8.42336380
  H     14.07396072      3.57092572     -7.08818113
  O     14.27052207      4.36751716     -7.57378808
  H     18.38049013     10.43166892     -9.92588934
  H     14.84618595      4.90726559     -7.00232772
          69
 Energy    -251.20606466913898     
  O     14.99651589      4.00807995    -16.70109737
  H     14.62881125      4.86976476    -16.94496083
  H     19.85886180      5.93253601    -15.12066349
  O     17.27178704      7.23092765    -11.82869972
  H     14.83547531      3.90545405    -15.75492077
  H     18.88590784      8.78290099    -16.41274866
  O     20.11684968      7.80126174    -17.43526422
  H     18.05049217      7.65302704    -12.20951301
  H     17.57153191      8.35336673    -15.71111388
  O     17.78195937      6.69614458    -18.67243852
  H     16.50279061      7.66156049    -12.23547667
  H     15.71634826      6.86804487    -16.02507674
  O     13.31351047      5.50671830    -10.64174755
  H     20.92281725      8.03871885    -17.88575610
  H     15.98286219      7.41832309    -14.59884960
  O     14.66714506      4.01454828    -13.87984495
  H     20.37566951      7.33502866    -16.62041117
  H     12.58098251      7.36123669    -14.71625696
  O     15.15348219      8.25278652    -13.19554914
  H     17.68771891      5.76711112    -18.42970790
  H     12.93612839      8.75370836    -15.28417446
  O     18.30714553      5.03139868    -15.37627129
  H     18.61360029      7.00336492    -18.29285589
  H     16.25585293      4.22722178    -10.03993150
  O     13.85636846      2.79087680    -11.44790285
  H     14.15840964      5.75181629    -10.24649133
  H     16.78732317      3.64345142    -11.35098546
  O     19.33056910      8.55636461    -13.27241218
  H     13.37633795      4.56150654    -10.83097375
  H     13.60428827      7.09307261    -16.67989941
  O     17.44354766      3.97994638    -17.81203365
  H     15.55962600      4.23832874    -13.58068719
  H     14.61605425      7.24729644    -17.86836538
  O     20.56516216      6.59247723    -15.04510651
  H     14.27927033      3.48383876    -13.17272402
  H     17.28371212      5.49602645    -12.53624857
  O     18.22497121      9.06970396    -15.77006983
  H     14.81747698      9.03336059    -13.65316160
  H     17.73318013      4.59083062    -13.71418966
  O     16.41141333      7.03888754    -15.37597617
  H     14.42907448      7.60945042    -13.15476948
  H     16.48901053      6.54353707    -10.33468339
  O     12.53944354      7.90537932    -15.51493406
  H     18.14995791      4.53138828    -16.18552816
  H     16.17515015      6.57415396     -8.82488528
  O     16.34085147      3.39867317    -10.52748732
  H     17.64121190      5.73790706    -15.36823113
  H     16.44362121      7.77434949    -18.89609688
  O     14.31125349      6.65143506    -17.17470663
  H     13.52810159      1.94696596    -11.15022884
  H     15.51428477      8.51487417    -19.88778367
  O     17.23872527      4.59576461    -12.88401756
  H     14.74856628      2.89631013    -11.07100872
  H     13.65957510      5.55699801    -13.61626226
  O     15.98188581      6.10482196     -9.63312176
  H     18.92950997      8.83299890    -14.11318221
  H     13.08326996      6.14871470    -12.31521724
  O     15.66607547      8.35864849    -18.95947131
  H     19.82926951      9.30457659    -12.95128380
  H     13.72682797     11.13161569    -14.70906239
  O     13.20633862      6.33224462    -13.25796994
  H     16.54241653      3.93136738    -17.44096886
  H     14.70018302     10.29312444    -15.57059264
  O     14.07915907     10.25296837    -14.82176715
  H     17.57275610      3.18741846    -18.32511278
  H     15.76985609      9.68010888    -17.60671803
  O     15.88954899     10.25498061    -16.84031016
  H     20.30321362      7.17228334    -14.32191789
  H     16.76490503     10.04549647    -16.49077525
          69
 Energy    -251.20159288231733     
  O     -2.66578825     -1.67523707      6.98272066
  H     -3.43000178     -2.21429331      6.74311965
  H     -2.82289625     -4.07940965      0.32753200
  O      0.44829962     -1.18086740      4.04575307
  H     -1.88547714     -2.17749284      6.71387892
  H      2.84806880     -2.92562905      3.01159880
  O     -1.62083720      0.60869928      3.56472693
  H      1.37593548     -1.01818112      3.83998675
  H      2.26180096     -4.00036025      2.08047859
  O      1.14464586     -5.16345046      4.83949107
  H      0.09988746     -1.68616407      3.29233379
  H     -1.45863407     -2.67197288      1.78316795
  O     -4.80538231     -3.18789807      5.81829599
  H     -2.12873920      0.79301658      4.36504789
  H     -0.58565599     -1.46119758      1.32605664
  O     -0.56748161     -3.09668883      5.73800306
  H     -0.87992381      0.04645200      3.83400753
  H     -3.53008548     -2.30508139      2.01620479
  O     -1.11126901     -6.20070577      3.38545848
  H      1.69581479     -4.69459364      4.18799553
  H     -3.12334602     -3.59598034      2.79256022
  O     -5.25955828     -0.66656772      4.51208244
  H      1.73016590     -5.73337485      5.33165370
  H      1.41353868     -3.52386074     -0.26909100
  O     -0.64407702      0.43496148      0.93707317
  H     -4.14764997     -3.67798704      5.29590734
  H      0.57897111     -3.43602453      1.01868254
  O     -0.39716972     -6.22237709      0.61775834
  H     -5.41728913     -3.83362495      6.16242355
  H     -4.49283572     -0.55475127      2.89733170
  O     -1.34921840     -2.09073507     -1.52813225
  H      0.01784290     -3.84825772      5.58130979
  H     -3.03151826     -0.14868960      2.62425941
  O     -2.39113577     -4.42247456     -0.46766329
  H     -0.18297620     -2.35831828      5.24328731
  H      1.63516014     -2.17601813     -2.50481167
  O      2.61547297     -3.86052914      2.96890432
  H     -0.90020871     -6.26482286      2.44639877
  H      0.37466039     -2.12799338     -1.60959749
  O     -0.56224130     -2.31268920      1.78093823
  H     -0.29773435     -5.93748328      3.83416817
  H      2.70057286     -0.78801235      2.04376806
  O     -3.19139269     -3.20364529      1.91183881
  H     -4.67323550     -0.09585759      5.02466296
  H      3.82190619     -0.52772419      3.07617159
  O      1.21034780     -4.00132387      0.54356093
  H     -5.21668906     -1.53279242      4.93593200
  H      1.13766054      0.06844330      0.61637322
  O     -3.82358074     -0.50608073      2.19918154
  H     -1.41935419      0.42829474      0.36222341
  H      1.88820733     -0.96511423     -0.24097704
  O      1.34776698     -2.19632722     -1.59639800
  H     -0.94475727      0.70186787      1.81647337
  H     -3.46739624     -0.20071993      0.45983242
  O      3.02082064     -1.02417264      2.93340563
  H     -0.02950499     -6.96045691      0.13756131
  H     -3.72050389      0.47843022     -0.90293847
  O      1.99361703     -0.36943328      0.51015052
  H      0.24381695     -5.49503926      0.54778256
  H     -2.93273319     -0.07876087      6.34645331
  O     -3.07442904     -0.02241827     -0.41095707
  H     -1.97714766     -1.41455596     -1.25766849
  H     -3.26393116      1.41225367      6.59521062
  O     -3.16298293      0.75998280      5.90711201
  H     -1.71884201     -2.93781536     -1.23399154
  H     -2.03563610     -3.80307894      4.87441761
  O     -2.73591291     -4.29420440      4.42314451
  H     -1.80643360     -5.12462139     -0.16264786
  H     -2.30624548     -5.08019460      4.05248286
          69
 Energy    -251.20022159259202     
  O     -3.68704203      4.51918682      3.82536000
  H     -4.29681499      5.25197938      3.83374695
  H     -2.86343204     -2.34016054      1.17474711
  O     -3.05545586      2.49886697      1.96240175
  H     -2.80118308      4.89017432      3.65654901
  H     -1.33876100     -4.49612448      4.02520047
  O     -2.50037134      3.22275938      6.10530019
  H     -3.44004625      3.14690163      2.56446695
  H     -1.75105260     -3.23707422      3.23125695
  O      2.46183817     -1.91629740      0.68265079
  H     -2.16187832      2.81365569      1.76293054
  H      0.24133448     -0.98586935      2.48424593
  O      1.16953138      0.90568119     -1.49515475
  H     -3.02243321      3.62752568      5.40198785
  H     -1.12763572     -0.22382768      2.39356883
  O     -0.05357509     -1.39982886     -0.50913068
  H     -1.62770076      3.63252050      6.05195263
  H     -0.65578832      1.01208731      5.26387164
  O     -2.75978652      0.04116663      3.18003965
  H      2.17948372     -2.16335726      1.57300316
  H     -1.99338000      1.52376979      5.84645831
  O     -2.85393450     -1.67263654     -0.64023829
  H      1.66343597     -1.94691205      0.13837482
  H      1.60585421     -1.89421300      4.04531943
  O     -0.78895066      2.74783107     -1.40448043
  H      0.73591208      0.06241830     -1.30039793
  H      0.52684296     -2.85245637      3.45593705
  O      3.35259781      0.63605282      0.37045369
  H      1.97191274      0.91663203     -0.96223788
  H      0.58866264      3.24398492      5.41172732
  O     -0.62526039     -1.84030519      6.14058243
  H     -0.95259146     -1.66155078     -0.73485425
  H      0.81290683      4.52448355      6.24307388
  O     -2.86235820     -2.49911880      2.12495234
  H     -0.13452272     -0.96319391      0.35393811
  H      0.83813612      1.05795309      2.05869592
  O     -1.11611705     -3.57935841      3.88557027
  H     -2.96633094      0.88753506      2.76114065
  H      2.23946362      1.51683348      1.59242310
  O     -0.24020145     -0.28684295      2.02071975
  H     -2.42194814      0.24194843      4.06356424
  H      2.51088822     -1.28542950      6.35923093
  O     -1.53404028      0.72607723      5.54614631
  H     -3.51142185     -1.94356067     -1.27547918
  H      1.01592977     -1.33090073      5.95295431
  O      1.27882280     -2.28818798      3.22733805
  H     -2.91240246     -0.70187515     -0.57904795
  H      1.49703603      0.77167096      5.18659695
  O      0.21144878      4.11207417      5.62750448
  H     -0.05329215      2.11307578     -1.47848419
  H      1.31836538      1.69370477      3.94372344
  O      1.49446824      1.77020398      2.14945825
  H     -0.80628061      3.24649988     -2.21683383
  H     -0.83771511      4.77623600      2.59009631
  O      1.89572449     -1.00295933      5.68770728
  H      4.28201917      0.65464711      0.15950738
  H     -0.58416769      4.95322891      4.10618689
  O      1.10379552      1.59899152      4.88327770
  H      3.11258831     -0.29997618      0.49579282
  H     -3.15576422      1.52570766      0.33400894
  O     -1.12206717      5.27163272      3.37083638
  H     -0.93129060     -2.43055876      5.44197413
  H     -2.22484973      1.58379741     -0.88297731
  O     -2.91045817      1.04730286     -0.46756698
  H     -1.10385254     -1.00500064      6.03745129
  H     -0.58957837      3.35882422      0.33384306
  O     -0.51049837      3.49709678      1.28636006
  H     -3.00793356     -1.63207394      2.53263579
  H      0.24969418      2.97773167      1.58146677
          69
 Energy    -251.20013495881329     
  O     17.16495651     11.58389180    -14.54563380
  H     16.36168200     12.07241608    -14.33302344
  H     17.27707229      6.90871330    -10.56589424
  O     15.94331624      6.39309168    -11.79274324
  H     17.52061128     11.28045454    -13.69828307
  H     13.31697558      7.68521332     -9.13573430
  O     11.98562136      8.24572385    -13.24409669
  H     14.99405310      6.24213807    -11.69334585
  H     12.45216252      6.63916544     -8.39242155
  O     12.69736228     11.19715077     -9.54695350
  H     16.13526685      6.22844422    -12.72610620
  H     13.99734692     12.16402107    -10.54523791
  O     19.61978037      8.23629791    -12.23491168
  H     12.59778149      8.97985354    -13.40154826
  H     15.53186679     12.36987790    -10.52541768
  O     12.50840952      6.80140520    -15.54369051
  H     11.95050518      7.75149445    -14.07517710
  H     15.10555626      9.20319225    -10.81340917
  O     16.03502210      6.01211429    -14.54370901
  H     12.10642157     11.72480014     -9.01564770
  H     15.72281127      8.19052929    -11.79982069
  O     13.96497307     10.08376102    -13.73439002
  H     12.14634617     10.54150512    -10.01047107
  H     17.31600435     10.30374099    -15.68380375
  O     17.07735608      9.23839459     -8.27970844
  H     19.22093287      7.93308157    -13.07065228
  H     17.78836685      9.84541245    -17.08481489
  O     13.63737239      4.55214738    -14.08742029
  H     20.56426466      8.15936546    -12.33951333
  H     17.73620671      6.83825773    -14.59427961
  O     14.42486858      9.05843823     -9.05392267
  H     12.82517866      5.95066633    -15.21915180
  H     18.16725659      8.20418164    -15.16011976
  O     17.95315537      7.40243764    -10.08360775
  H     13.30054794      7.30186544    -15.78207989
  H     11.54729864      8.38236428    -10.16353474
  O     12.62852635      7.00747931     -9.25411292
  H     15.64188213      6.81148692    -14.92727909
  H     11.37637504      8.88986022    -11.60570611
  O     14.72403635     12.59116323    -11.01101730
  H     15.32503326      5.36090782    -14.50118638
  H     12.77550738      6.87544130    -12.33650583
  O     15.49604782      9.12360187    -11.69098664
  H     14.52315152      9.78829742    -12.99802750
  H     12.92038430      6.26515970    -10.92245615
  O     17.39618820      9.53229921    -16.27442179
  H     14.10666044     11.03250618    -13.82460042
  H     17.10231011     10.97366053     -9.16624751
  O     18.43401383      7.50355118    -14.55177512
  H     17.41986225      8.58315493     -8.91449911
  H     17.50900619     11.44425560    -10.56394659
  O     11.29679263      9.15686346    -10.67986416
  H     17.57334914      9.12293428     -7.47374498
  H     14.58260018      8.96200594    -15.02498680
  O     13.14924153      6.12545296    -11.84941706
  H     13.32665693      3.65349817    -14.01035709
  H     15.73602300      8.71611825    -16.01985924
  O     17.05240861     11.73035212     -9.75997983
  H     13.41747437      4.99606452    -13.25167304
  H     14.34039196     13.61913351    -13.94513688
  O     14.93783202      8.31637587    -15.65272225
  H     15.29945243      9.18737834     -8.66357369
  H     14.73709208     12.76326262    -12.71836417
  O     14.71353534     12.77924814    -13.69342593
  H     13.94560914      9.89789691     -9.06666510
  H     18.59354307      9.79586612    -12.12778403
  O     17.91213926     10.47770843    -12.10439663
  H     18.60718308      7.65445371    -10.74748762
  H     17.07107357     10.01996429    -11.95274822
          69
 Energy    -251.19807034054679     
  O     -3.79973238      1.03035794      1.20956262
  H     -4.00100739      0.17386368      0.78913580
  H      0.08083227     -5.96839717      0.99840458
  O     -2.99886991     -0.86995365      6.50683476
  H     -4.42563723      1.66090055      0.86421471
  H      1.40606830     -0.87216301      3.34635387
  O     -3.35068454      0.01526261      3.79762475
  H     -2.07290511     -1.12971852      6.39865830
  H      2.19901855     -2.00764428      2.67495161
  O      2.12185992     -2.85759598      5.69558054
  H     -3.23094451     -0.38856041      5.70262795
  H      0.06318854     -2.79982565      1.43942419
  O     -4.12081904     -3.34087611      6.36655354
  H     -3.63114377      0.47120891      2.99431062
  H     -1.19103976     -2.31013388      0.63821308
  O     -0.54315646     -1.97902638      5.71772279
  H     -2.40570282     -0.14526832      3.67722886
  H     -1.93078485     -3.82432690      2.02784351
  O      0.81905509     -5.15111401      4.57799519
  H      2.89860798     -2.73789469      6.23457365
  H     -3.38824913     -4.35998493      1.97206095
  O     -4.97911511     -2.29969881      3.85262250
  H      2.25003952     -2.32368545      4.89034748
  H      1.91727842     -3.04734160      0.42055581
  O     -0.95158992      0.95243520      0.94861506
  H     -4.60984060     -3.58583801      7.14721904
  H      1.86844686     -4.15624851      1.53847671
  O      1.59943486     -5.91013001      2.10812642
  H     -3.76873950     -2.44589269      6.52384745
  H     -5.09634523     -3.16815823      2.39628298
  O     -0.51311692     -4.45219490     -1.84702446
  H      0.37309598     -2.22589565      5.88981145
  H     -5.89235476     -4.09760930      1.44391886
  O     -0.71205249     -5.84922717      0.46120599
  H     -0.99542664     -2.78455971      5.42474564
  H      0.96306209     -3.25745955     -1.58046348
  O      2.21289200     -1.39101036      3.42270164
  H     -0.11158776     -4.99318015      4.78073188
  H      1.21569545     -1.75403844     -1.31409527
  O     -0.85572719     -2.50798053      1.52124605
  H      1.31471938     -4.43989811      5.00171585
  H     -0.53391026     -0.96014300      4.22964075
  O     -2.49248640     -4.58290833      2.25365081
  H     -4.79647925     -2.71383768      4.70345401
  H     -0.74001204     -1.23537446      2.71195026
  O      1.83727158     -3.20654600      1.37292763
  H     -4.44310614     -1.49624176      3.82066592
  H     -0.18873976      0.28723434     -0.48198405
  O     -5.05463929     -3.65576251      1.55158743
  H     -1.90942430      1.07119017      0.98059246
  H      0.38185612      0.57395894     -1.88782646
  O      1.62915688     -2.62559037     -1.28052103
  H     -0.70318395      0.62206074      1.81991609
  H     -1.20232371     -1.39643982     -1.32210195
  O     -0.59827719     -0.52928704      3.36520251
  H      2.22915478     -6.62092668      2.19189264
  H     -1.46213767     -2.92920236     -1.45344658
  O      0.14151924     -0.13392962     -1.29553737
  H      1.31012168     -5.68342658      3.01086967
  H     -2.14930831     -4.46000824      4.03659006
  O     -1.82231905     -2.10464153     -1.10121389
  H     -0.60639507     -5.05694931     -2.57796554
  H     -2.66242222     -4.14093259      5.46940211
  O     -1.86724762     -4.31415914      4.95106574
  H     -0.58286768     -4.98349709     -1.03334027
  H     -4.55643214     -2.15606208      0.51718756
  O     -4.22855704     -1.36881255      0.06777163
  H     -1.40514866     -5.56559634      1.07138458
  H     -3.45004611     -1.64652570     -0.43466281
          69
 Energy    -251.19794175242038     
  O     14.29885093      6.61011424    -14.32483417
  H     13.76265089      6.78902917    -15.10815649
  H     19.06293968      6.54059274    -15.46594483
  O     18.49098408      6.86503819    -12.08333735
  H     13.79177411      6.83530967    -13.53117956
  H     15.21092044      8.15908920    -14.33210093
  O     19.29311724     10.19487282    -15.37735994
  H     18.38849433      6.49030971    -11.19987561
  H     16.31707332      8.84061201    -15.17681779
  O     11.83518152      9.65146866    -15.70112108
  H     17.86350121      6.39775732    -12.65481875
  H     14.10362088     11.62461114    -12.65051311
  O     15.43963025      7.02781954     -9.04131432
  H     19.98847151     10.75206301    -15.71789804
  H     13.45799108     12.41951508    -11.49163581
  O     13.19319847      7.38238734    -11.92404034
  H     18.77420536     10.74313113    -14.76373294
  H     16.69728542      4.61574529    -10.75811020
  O     17.23212248      9.32361177    -12.08824698
  H     12.34956932     10.41907814    -15.97146449
  H     16.28406467      4.52026639    -12.24153354
  O     14.82876752      9.32656368    -17.69774144
  H     11.75750874      9.68377669    -14.73551708
  H     12.11097726      8.79563804    -12.57647562
  O     13.67791687      5.14536550    -10.31696704
  H     15.22956925      7.87299119     -9.45953568
  H     12.29887447     10.32163512    -12.50951039
  O     17.35461849      8.60451371    -16.65558562
  H     14.75507311      6.41136821     -9.32932907
  H     19.60149950      7.39236004    -13.49913663
  O     12.94450262      7.40003320    -16.62921755
  H     13.21357548      6.58868742    -11.37482313
  H     19.79726724      8.49242758    -14.58267009
  O     18.43017300      6.05783585    -16.02994039
  H     13.79484994      8.01772282    -11.50921287
  H     15.87419698      5.81561338    -14.00985898
  O     15.77996578      8.93633662    -14.38022977
  H     16.73523173      9.17919547    -12.91007581
  H     17.27724931      5.53460250    -14.60847921
  O     13.63026028     11.53558907    -11.80585040
  H     17.76713853      8.52930286    -11.96736980
  H     16.97674392      6.26052146     -9.35738305
  O     16.02711991      4.25192304    -11.34988275
  H     15.73585127      9.07836289    -17.47828360
  H     18.21881170      5.51286636     -8.81636146
  O     11.79142887      9.62837513    -12.94652227
  H     14.26808387      8.59455677    -17.41311340
  H     14.15048996     10.83450678    -17.11314143
  O     19.95291839      7.56144763    -14.38417039
  H     13.16694643      4.41944081     -9.96985573
  H     13.50960449     12.20681776    -17.42431471
  O     16.75444440      5.46899524    -13.80108455
  H     14.47426559      4.76054081    -10.72537599
  H     15.74473788      9.30496538    -11.08666932
  O     17.76765926      5.75594498     -9.62009153
  H     17.67250260      7.69724760    -16.56255310
  H     14.41756033     10.07937117    -10.90847761
  O     13.72104322     11.61117516    -16.71063765
  H     18.06138006      9.18646731    -16.34402850
  H     17.70384385     10.94154169    -12.90693159
  O     14.86714534      9.25735600    -10.67914964
  H     12.33412981      6.93749199    -17.19703444
  H     16.85947123     11.80826367    -13.85580708
  O     17.76998332     11.60067309    -13.61302286
  H     12.47680724      8.18955484    -16.29636145
  H     14.52752583     11.75356730    -15.04941715
  O     14.95958814     11.55236241    -14.21026261
  H     18.93857152      5.45114102    -16.56160688
  H     15.18700204     10.61007805    -14.25764868
          69
 Energy    -251.19430801089987     
  O     18.49576365     10.60958235    -13.21817117
  H     17.88394740     11.35211351    -13.16102430
  H     15.52958950      5.81952801    -10.70783340
  O     14.65822568      6.13467358    -12.36898988
  H     18.39267436     10.11887605    -12.39028741
  H     10.45920338      7.44084792    -10.28488228
  O     12.41267034      9.55012763    -14.54122461
  H     15.12219133      5.99651146    -13.20612330
  H     11.81404046      8.14849498    -10.52160848
  O     12.68322123     11.67107071    -10.32905258
  H     13.75460594      6.37595321    -12.61076180
  H     15.92072540     11.41785803     -9.76080510
  O     18.65173606      6.43980380    -11.09817075
  H     13.24437376      9.98184091    -14.29462961
  H     14.57414677     11.90568435    -10.36480045
  O     13.29873960      8.24262077    -16.81083056
  H     12.55372456      9.19334730    -15.42940539
  H     15.17695450      7.81969235    -11.98943930
  O     15.68564258      6.01762472    -14.94826609
  H     12.14698633     11.32666712    -11.06549331
  H     16.21319634      8.87349121    -11.48448183
  O     14.90219582     10.46639359    -13.85225005
  H     12.14971057     12.32971865     -9.89135581
  H     18.64539224      9.51991761    -14.53619540
  O     15.31679958      7.97539183     -8.25100248
  H     19.43972085      5.93472808    -10.91647331
  H     19.44044137      9.06439033    -15.78464997
  O     12.95493574      5.60685422    -15.63343719
  H     18.51075290      6.40135627    -12.06166546
  H     11.66523090      7.16036388    -12.56831397
  O     13.26647178      8.96694478     -9.90937365
  H     14.23665768      8.40978476    -16.64607820
  H     12.29165611      7.90342996    -13.77035118
  O     16.09135643      5.89972763     -9.92646926
  H     13.16045894      7.31036047    -16.60752710
  H     17.42889691      6.11230187    -14.19959325
  O     11.01020095      7.82294566    -10.96289398
  H     15.75805011      6.94360522    -15.22705588
  H     18.47034505      7.24270859    -14.26657065
  O     15.53135240     12.02133546    -10.40397939
  H     14.83962446      5.70410222    -15.28909812
  H     10.88952198      9.60584956    -11.82485951
  O     15.30035828      8.75394791    -11.77489262
  H     15.02760829      9.87805910    -13.09060392
  H     11.46728157     10.24558627    -13.09833599
  O     18.68291629      8.85286289    -15.24621845
  H     15.37805224     11.27926413    -13.65153211
  H     17.19913203     10.45726728     -7.75421600
  O     12.18510053      7.02725145    -13.37014511
  H     15.60350926      7.19658247     -8.75157967
  H     16.29596099      9.38065961     -8.40293324
  O     18.22377352      6.45190890    -13.77076578
  H     14.47920757      8.24820163     -8.64548391
  H     15.58495183      9.33678624    -15.12134568
  O     11.13779996     10.45251242    -12.21301649
  H     12.36307216      4.89663532    -15.86882613
  H     16.88218368      8.76080836    -15.72938676
  O     16.82936043     10.17561474     -8.58651896
  H     12.59049914      6.01942532    -14.83295403
  H     16.16809528     12.42114831    -11.96574088
  O     15.92058204      8.67821393    -15.74583987
  H     13.99244720      8.89202516    -10.54845624
  H     16.49844322     13.53225199    -12.99110399
  O     16.46710779     12.58634324    -12.87849699
  H     13.03892272      9.90457107     -9.87715944
  H     17.71131585      9.46949325    -10.05312554
  O     17.94348067      9.13803588    -10.92993951
  H     16.98976719      5.98976763    -10.26611266
  H     18.25832626      8.22786443    -10.85224924
          69
 Energy    -251.19171820453420     
  O     17.11093600      8.08397878    -14.30319014
  H     16.97899353      7.64680857    -15.15239977
  H     18.71769113     11.08766320    -14.24383711
  O     17.04876274     11.09372244    -11.06059086
  H     16.37413994      8.70591037    -14.18770237
  H     13.08764019     12.11410603    -14.43965105
  O     14.94865729     12.49536134    -14.59376706
  H     17.46530461     10.73277946    -10.26776658
  H     12.31891000     10.85912650    -14.89019322
  O     12.01960828      6.74846490    -14.62788948
  H     16.12788206     10.79193210    -11.04459558
  H     14.83525362      9.81342856    -12.86285108
  O     16.58410402      7.45471231     -8.94699818
  H     15.57510433     12.87383829    -13.96347725
  H     15.06785463     10.73073084    -14.08671198
  O     16.21272448      6.19020156    -12.48220725
  H     15.42838007     12.34115268    -15.41906227
  H     11.83195290      8.70357637    -11.98676054
  O     14.49295166     10.09583871    -11.09917206
  H     12.89767405      6.32574820    -14.64846349
  H     11.93470158      7.42870847    -12.86128020
  O     15.14917253      9.22078862    -17.32991415
  H     11.39525172      6.10087974    -14.94364169
  H     19.52809352      8.67906800    -11.56598327
  O     18.27976125      5.82908221    -10.60253229
  H     17.13321142      6.79363341     -9.38636853
  H     19.28709621      8.71937358    -10.04899875
  O     16.56112681     11.66590671    -16.74714166
  H     15.72989948      7.42248710     -9.39803397
  H     15.08046572      6.01852923    -15.41365452
  O     16.26505047      6.85450651    -16.66908365
  H     16.92013144      5.93693896    -11.87654977
  H     15.05003823      5.71076778    -13.89981412
  O     18.41826651     11.83719423    -14.77442600
  H     16.58791310      6.85268042    -13.08053001
  H     17.14948964     14.07055247    -12.28053670
  O     12.24745873     11.64894339    -14.33621701
  H     13.57814283     10.37477842    -11.23273018
  H     17.01241435     12.54274677    -12.09407606
  O     15.06131805      9.80777745    -13.80123368
  H     14.47978270      9.15505082    -10.86634352
  H     18.27671082      9.10123638    -13.42879238
  O     12.00054236      7.75473893    -11.95547648
  H     14.30552347      9.26963255    -16.85950534
  H     18.15507726     10.17887485    -12.31292615
  O     19.65169158      8.17017289    -10.75358545
  H     15.62055576     10.04163437    -17.14600939
  H     17.50552785      8.92523171     -8.84415540
  O     14.50989911      5.70753221    -14.70031602
  H     18.83598877      6.62281891    -10.69971016
  H     18.30562475      9.91795285     -7.96805347
  O     16.95945819     13.26078401    -12.74749160
  H     18.86350862      5.10934859    -10.37875711
  H     13.68584927      9.32622596    -14.89434445
  O     18.78071313      9.74865308    -12.91185905
  H     17.29112312     11.65808959    -16.10241125
  H     12.53979198      8.38536629    -15.33144718
  O     18.09836999      9.69876292     -8.87238005
  H     16.87350647     12.15257416    -17.50626552
  H     13.51096602      7.38654598    -11.07556838
  O     12.97734910      9.21766802    -15.54790418
  H     15.86089835      7.68433103    -16.98183448
  H     14.97823157      6.93445267    -11.35303123
  O     14.40864055      7.38057593    -10.71073100
  H     16.66321429      6.43712411    -17.42772540
  H     11.94601318     11.04168636    -12.72782426
  O     11.84807660     10.64820300    -11.84320460
  H     18.04298833     12.45751862    -14.13801486
  H     11.10763109     11.08406308    -11.42959508
          69
 Energy    -251.19116833445133     
  O     17.61026637     14.56087407    -20.24095113
  H     17.12504575     15.19775445    -19.68504364
  H     20.79020239     17.39515746    -17.18168117
  O     20.14819849     16.95696749    -13.94394179
  H     17.22073995     14.60413753    -21.11050101
  H     16.28254422     12.37081700    -13.09566734
  O     21.95611423     13.47414590    -18.34425723
  H     20.07531337     16.40238054    -13.15819568
  H     16.20304950     10.94414308    -13.66930120
  O     17.75473711     13.55548865    -13.00781502
  H     19.29808007     17.40488290    -14.08163317
  H     22.37850307     14.24169488    -16.63532921
  O     15.37916881     14.12714576    -16.81608988
  H     22.58743864     13.06957248    -18.93261361
  H     22.45804136     15.55692002    -15.83153181
  O     17.32140106      9.71028097    -14.63373098
  H     21.41983422     14.08529550    -18.88098179
  H     19.44273443     11.97697735    -15.34422519
  O     13.98400663     12.10510349    -15.48421608
  H     18.29166317     12.93209265    -13.51986084
  H     18.71847660     10.92940108    -14.45821369
  O     20.33561460     15.18832474    -19.67076072
  H     18.37699506     14.08731155    -12.49847164
  H     16.38915756     11.12239280    -17.44672347
  O     22.07074376     17.47143786    -15.79278558
  H     16.03207449     13.58935468    -17.28722158
  H     15.18505759     10.96811779    -16.49383923
  O     19.64919508     12.76554001    -16.93443450
  H     14.76574107     13.50697772    -16.40231571
  H     17.59210647     18.26716351    -15.47233462
  O     16.25181249     16.18555958    -18.56217860
  H     16.87233884      9.93124697    -15.46956022
  H     17.15287032     17.16671264    -14.49693634
  O     19.99820284     17.14013207    -17.67088053
  H     17.32381253      8.75948367    -14.56495850
  H     21.80366488     13.77892631    -14.26056236
  O     15.66103478     11.69255674    -13.38903330
  H     14.52774500     11.99822590    -14.68272709
  H     20.79215297     12.69753742    -13.78043816
  O     22.47769255     14.59772132    -15.74452466
  H     13.08163452     11.93307445    -15.23001475
  H     20.24973768     15.02849709    -11.00769297
  O     19.29949038     11.69887983    -14.42750203
  H     20.25625450     15.97355197    -19.11338737
  H     20.51646994     14.44062948    -12.41818899
  O     15.95641106     10.50458285    -16.84251404
  H     19.43617363     14.94457863    -19.92109809
  H     18.09832549     12.57441386    -17.80336728
  O     17.67613981     17.97958828    -14.55595228
  H     22.72933491     18.09636924    -15.50141798
  H     17.34470298     13.13598636    -19.03103658
  O     21.36433579     13.41357419    -13.47898241
  H     21.44171137     17.36223963    -15.05664382
  H     19.60776126     15.64166301    -15.22988000
  O     19.93262490     15.03389892    -11.90652273
  H     19.48254726     13.64976931    -16.56812998
  H     18.15946720     15.29942874    -15.61536143
  O     17.23736603     12.58480335    -18.24697317
  H     20.47116209     12.82899805    -17.43383852
  H     17.54823910     19.29881996    -17.84839608
  O     19.07330535     15.22877733    -15.91992775
  H     16.58913037     16.96127356    -18.10084712
  H     18.47826843     18.09582949    -17.57114822
  O     17.59068451     18.45469906    -17.40482498
  H     15.80654925     15.62815239    -17.91105968
  H     16.88720625     14.75642839    -14.06487478
  O     16.58168228     15.42082652    -14.69863781
  H     19.60501467     16.41274573    -17.16126771
  H     16.06387293     14.97060551    -15.37917703
          69
 Energy    -251.18919853362553     
  O     19.22750198     11.38313176     -8.68605343
  H     19.02219277     12.20023396     -8.24056861
  H     20.92812068     10.47555567     -8.74229980
  O     17.78620533      5.82616254     -9.69162183
  H     18.69843640     10.68597398     -8.25691318
  H     19.82669395      8.39387093    -15.65568757
  O     19.54471899      3.81973583    -12.79105009
  H     18.39078224      6.47206053    -10.09682191
  H     20.15677131      8.71191562    -14.18010326
  O     21.24364973      5.86667338    -13.85738172
  H     18.30085137      5.36328919     -9.02117261
  H     20.52084597      4.08544769    -11.12824896
  O     19.52968122      7.66363098    -10.65486877
  H     19.42575402      2.94739442    -13.15949563
  H     21.50563728      5.15042458    -10.61576331
  O     17.13730204      4.99098114    -12.21669515
  H     18.65541978      4.17966184    -12.63831858
  H     14.50536201      7.37065976    -15.43451738
  O     22.04303141      6.72886529    -11.39786489
  H     20.68900674      6.55494177    -14.24446625
  H     15.54952127      7.41935701    -14.29518368
  O     20.15188550      7.59199491     -7.92915502
  H     20.65483021      5.14666533    -13.59771219
  H     15.49556931      9.42468429    -11.92923433
  O     13.55306539      7.08586575    -10.29151463
  H     20.38175324      7.36868364    -11.00311278
  H     16.76223876      8.65315703    -12.37462652
  O     17.89575218      9.27935933     -7.63504924
  H     19.39274595      8.58513016    -10.90288776
  H     18.08420301      7.61778989    -14.03654180
  O     18.91892826     10.35856722    -11.27038326
  H     16.17376871      4.98562833    -12.31394942
  H     17.30891876      6.56880769    -13.16433428
  O     21.64530056      9.83276768     -8.79767658
  H     17.32392389      5.19768321    -11.28906992
  H     23.82978034      9.75526286    -11.08696631
  O     19.69833815      8.08017526    -14.76398526
  H     21.90820623      6.47995525    -12.32632238
  H     22.51431067      9.56767613    -10.29777872
  O     21.00107453      4.37094517    -10.34296127
  H     22.51135697      7.57028509    -11.36488194
  H     16.56723505      7.11573446     -9.38062772
  O     14.59741104      7.37335043    -14.48527396
  H     20.11518591      6.64632137     -7.74823930
  H     16.20873460      8.43311442    -10.12886191
  O     16.43349235      9.29561009    -11.73019767
  H     19.96912762      7.67712047     -8.87791571
  H     13.89281517      8.57572776    -13.15150189
  O     17.23047460      7.40843954    -13.63766468
  H     14.37316406      7.36638786     -9.85305203
  H     13.52151665      8.45980042    -11.66234960
  O     22.95671768      9.37618203    -11.14388155
  H     12.90154443      6.97108603     -9.60414034
  H     20.20281458     10.16127318    -12.51856685
  O     16.01428328      7.90977624     -9.33690563
  H     17.17304605      8.84535232     -8.10302856
  H     21.67459943      9.70769687    -12.52918966
  O     13.75928301      9.09609339    -12.34870207
  H     18.61105399      8.63235398     -7.56661446
  H     20.25508693      4.56556068     -8.79924097
  O     20.90212560      9.81819231    -13.09455290
  H     18.99381123     10.81402386    -10.42296708
  H     19.90925606      4.03432322     -7.38633377
  O     19.76103142      4.76335751     -7.98156035
  H     17.98518329     10.15234142    -11.41985957
  H     14.08394138      5.86920546    -11.67549488
  O     14.43631359      5.38155266    -12.43051108
  H     21.32340533      9.05096862     -8.33059055
  H     14.33630053      5.96881711    -13.18989192
          69
 Energy    -251.18751839184611     
  O     16.59914231      3.30919283     -7.25439714
  H     15.73358933      3.61206311     -6.92479164
  H     14.82408862      7.65953011     -5.42352164
  O     19.71055922     10.70358129     -9.03269976
  H     16.58418642      2.35645833     -7.23546481
  H     15.50323383     11.13740502    -12.42575620
  O     14.31051309      4.45634137     -6.34813161
  H     19.27152786     10.67758925     -9.89392595
  H     15.95512318     11.21410715    -13.90129419
  O     13.50780392     10.49611503     -7.51445985
  H     20.17196626      9.86125720     -8.94813089
  H     17.28771505      5.26977557    -12.18946907
  O     18.21453106     10.14801914    -11.34628708
  H     14.19331657      5.10028155     -7.06188630
  H     17.21305605      5.84883257    -10.76220107
  O     20.86168408      8.05633754     -9.04518145
  H     14.52742684      4.97910150     -5.56680200
  H     17.45507188      4.50793050     -5.98655721
  O     15.35727801      7.97162958    -12.68731487
  H     14.28283335     11.02209154     -7.75478588
  H     18.24899817      5.82328172     -6.03924676
  O     14.56023399      6.43967745     -8.29527976
  H     13.82199006      9.77382186     -6.95790214
  H     12.67666087     10.38232690     -9.03970347
  O     17.22270515      8.98066446     -6.88291296
  H     17.60475931      9.73744175    -10.71049357
  H     11.41022530     10.47570188     -9.92574627
  O     15.78265632     11.73743791     -8.64815922
  H     17.65221494     10.47137776    -12.05839097
  H     15.56644249      8.74223749     -9.76507865
  O     18.12562455     11.64368564     -7.06168207
  H     21.79775281      7.89839348     -9.13442221
  H     16.66444634      8.94335630     -8.65184236
  O     14.66452099      8.23549462     -6.18178943
  H     20.46420517      7.88967567     -9.91980111
  H     19.63430754      7.24134925     -7.92763498
  O     16.09374452     10.73604049    -13.08811698
  H     15.69298934      8.85405197    -12.88665959
  H     18.33930448      7.66625107     -7.18195660
  O     17.32872983      6.08674111    -11.69648498
  H     16.10797675      7.42853869    -12.41753317
  H     17.75969709      5.96529018     -8.51514282
  O     17.71056560      5.27217032     -5.45617012
  H     15.43952515      6.13859015     -8.55903761
  H     16.98187697      4.62268009     -8.52819498
  O     12.34892665     10.31324147     -9.95531792
  H     14.18962552      6.91461927     -9.05285645
  H     14.30238838      7.99408539    -11.26923445
  O     16.40561627      9.16874642     -9.55404712
  H     16.34065532      8.83711793     -6.51400423
  H     13.31312647      8.78047011    -10.33292629
  O     18.87526557      6.89992161     -7.44046965
  H     17.46564985      9.90975682     -6.78926459
  H     18.90597688      7.11592556    -11.56860835
  O     17.10584628      5.45040252     -9.01050023
  H     16.54385601     11.93200532     -8.09054075
  H     19.21348172      8.62096164    -11.53564944
  O     13.93286345      8.04291941    -10.37447384
  H     15.96872013     10.87085311     -9.04222063
  H     15.44330853      6.13325118     -3.39745150
  O     19.61743563      7.74909612    -11.41831391
  H     18.74441474     11.35850664     -7.75982073
  H     16.26863508      5.93444383     -4.68943279
  O     15.40627141      6.22887416     -4.34541010
  H     18.59988414     12.25221153     -6.50248830
  H     13.68449533     11.34699718    -10.87136717
  O     14.49068719     11.79523501    -11.15410674
  H     14.57107628      7.64190224     -6.94313326
  H     14.95023820     12.02764921    -10.33679531
          69
 Energy    -251.18740479211590     
  O     11.62411785      9.94877025    -15.00508706
  H     11.93665576      9.21479586    -15.55416824
  H     15.32843258      5.09667245    -13.91084040
  O     15.42872766      6.40003954    -12.71268862
  H     12.23192116     10.67743906    -15.16882734
  H     14.81230843     10.91989413    -16.60927634
  O     17.37365789     10.29182913    -12.40776790
  H     14.87196105      6.51526510    -11.93195408
  H     16.21804691     10.29665474    -16.52463768
  O     17.30448141      9.71359785    -15.17347048
  H     15.16922369      7.09329649    -13.34152437
  H     15.61275610      8.75595518    -14.87813095
  O     12.54616222      5.49304367    -15.08206665
  H     17.47021987     10.60342875    -11.49902359
  H     14.14387235      8.24266718    -15.10422596
  O     14.91846456     10.03299244     -8.89374630
  H     17.54702522      9.33896837    -12.38249070
  H     11.06808950      9.44378286    -13.44428935
  O     13.78559681      7.00791983    -10.58977181
  H     17.91147717      8.96403306    -15.22012171
  H      9.85954712      9.28757097    -12.49291634
  O     14.67746394     10.68791988    -12.97492332
  H     17.40245626     10.09532845    -14.29174854
  H     18.02091510      7.72754967    -10.53493442
  O     16.69694717      6.25031120    -16.43098146
  H     12.25295633      5.73862832    -14.19080725
  H     17.86770626      8.93184611     -9.58268244
  O     15.53304129      7.26989757     -8.40603838
  H     13.39329936      5.04651655    -14.98197366
  H     12.40333834      6.44640859    -11.82218274
  O     18.77891764      7.31696497    -15.10082819
  H     15.03501007      9.12279512     -8.59405756
  H     11.38451577      7.29453116    -12.59510267
  O     15.23776857      4.52624998    -14.69348604
  H     14.17508331     10.01667448     -9.51037724
  H     18.35161964      7.39726467    -13.25229778
  O     15.45114979     10.39732441    -17.10716814
  H     14.31891591      6.97662051     -9.78631517
  H     17.06919822      7.07025014    -12.45333764
  O     14.82659452      8.40658442    -14.44113908
  H     13.53582205      7.93476427    -10.71649858
  H     17.72701814     11.49036674     -9.07745849
  O     10.79768614      9.13118149    -12.56225512
  H     15.60139872     10.70113910    -12.69390745
  H     16.48950842     10.61275847     -9.38235121
  O     17.86895131      7.96721180     -9.61145094
  H     14.57320103      9.85159124    -13.45842783
  H     15.18938599      8.82497439    -17.82287505
  O     11.79722666      6.42289946    -12.57160045
  H     16.11733656      6.74626611    -17.02093020
  H     15.07294219      7.90416722    -19.06088301
  O     17.91857931      7.53399133    -12.40164710
  H     16.14650213      5.62362743    -15.94505468
  H     12.18432111      9.55341526    -11.40491289
  O     17.40036788     10.81375383     -9.66411703
  H     15.70039193      6.79221912     -7.59825141
  H     13.59821362     10.13126059    -11.62795380
  O     15.04717522      7.90397032    -18.10750880
  H     16.39885868      7.43740846     -8.81939741
  H     13.66176327     12.82582379    -15.25038173
  O     13.03688365      9.69276552    -10.97279800
  H     19.59766137      7.05810318    -15.51466556
  H     14.08861876     11.58822979    -14.43079711
  O     13.74254721     11.87574610    -15.29178773
  H     18.06127447      6.88064325    -15.59652899
  H     12.67202114      6.97495270    -15.98097591
  O     12.85241591      7.86078474    -16.33725557
  H     15.44574071      3.63840137    -14.41304318
  H     13.46999435      7.77563488    -17.07161897
          69
 Energy    -251.18449324176919     
  O     -3.59586399      1.35527447      1.34533152
  H     -2.63606899      1.45262465      1.21200928
  H     -1.38252087     -5.17516326      1.01056315
  O     -3.71149151     -1.50128905      6.24488484
  H     -3.99840953      2.16011235      1.02992011
  H      2.11230669     -0.41150937      3.30903518
  O      0.97664952      1.18742917      3.09499787
  H     -3.80015875     -0.86186598      5.52601498
  H      2.51135341     -1.79850244      2.74616001
  O     -3.65641734     -0.04908954      3.78732395
  H     -2.76406335     -1.65192977      6.35969823
  H     -0.54259617     -1.43072962      0.83130850
  O      1.78741753     -2.70529308      5.72959862
  H      1.14310012      1.92279891      3.68071785
  H      0.44120579     -2.32421177      1.62339131
  O     -4.69956479     -3.86927371      5.33762214
  H      0.26456646      0.66248245      3.50207865
  H     -3.10844879     -3.51224914      2.24432705
  O     -0.97225086     -2.30036283      6.03284502
  H     -2.69534533     -0.16399359      3.84910525
  H     -1.62355441     -3.25630452      1.88909593
  O      0.78221480     -5.07855459      4.47512697
  H     -3.79149311      0.54085386      3.03649804
  H      2.11408440     -2.77848200      0.37191136
  O     -0.91790657      1.52226922      0.92139719
  H      2.05777522     -2.16673009      4.96473306
  H      2.06081030     -3.87262181      1.48934615
  O      1.68252208     -5.59901616      1.98578333
  H      2.52354648     -2.70858864      6.33582588
  H     -4.77659877     -3.06239765      3.57696983
  O     -0.46223912     -3.94680872     -1.73304785
  H     -4.41907925     -3.02895952      5.74342939
  H     -4.26927545     -1.66626064      3.16322960
  O     -0.74561698     -5.61723540      0.43288906
  H     -5.41154601     -4.20962642      5.87250622
  H      2.27978105     -2.47795270     -2.16684242
  O      2.50398888     -1.25827400      3.54843581
  H     -1.31611086     -3.10953636      5.62509758
  H      0.96203521     -3.03264883     -1.56509834
  O     -0.44644619     -1.94273681      1.64287389
  H     -0.01498113     -2.41032077      6.09694853
  H     -0.92345647     -1.12104720      4.68518837
  O     -2.26023500     -3.95259881      2.10815496
  H      1.16577518     -4.31909714      4.92989737
  H     -0.79468755     -1.05143763      3.12708971
  O      2.13719528     -2.92243099      1.32700138
  H     -0.16385352     -5.06428425      4.66658614
  H     -1.13071172     -0.99468138     -1.26333374
  O     -4.55767248     -2.52112649      2.80961379
  H     -0.66814121      0.90177822      0.22220379
  H      0.41136098     -1.06728035     -1.08687758
  O      1.70864054     -2.42318957     -1.40594493
  H     -0.21225578      1.48994232      1.57622942
  H     -3.16286159     -1.79698972     -1.04595595
  O     -0.96104638     -0.52590213      3.92531764
  H      2.22903688     -6.38025186      2.00533717
  H     -3.12591892     -1.94086369     -2.58261724
  O     -0.37668779     -0.57420399     -0.82694492
  H      1.36068578     -5.45932802      2.89476203
  H     -2.90870579     -4.53727114      5.06701687
  O     -2.58267743     -2.00048472     -1.80093149
  H     -0.58491268     -4.60146788     -1.02878834
  H     -2.01692079     -4.41898203      3.81925050
  O     -1.99040450     -4.57552191      4.77608471
  H     -1.26607846     -3.41657698     -1.76407844
  H     -4.40839929     -1.76771129      1.06013199
  O     -4.11054388     -1.25771405      0.29785016
  H      0.06724700     -5.69408629      0.94551002
  H     -3.97817148     -0.35430944      0.61102090
          69
 Energy    -251.18185953474932     
  O     18.51562549      7.01385060     -9.97799292
  H     18.15473770      6.16482662    -10.27063771
  H     15.41106081      9.32337148    -15.20084603
  O     15.52189361     10.92803208    -14.25340497
  H     17.94819916      7.29997888     -9.25299720
  H     13.62835947      3.52423255    -13.60591720
  O     13.07856684      6.34391932    -12.27567992
  H     15.69252208     11.80862252    -14.57691088
  H     14.99071057      4.07491851    -13.11484781
  O     12.90319552      3.33298012    -15.29192567
  H     16.14787845     10.77230296    -13.52274529
  H     15.62977404      8.04017054    -11.05826234
  O     13.10084805     10.23341316    -12.88975854
  H     13.27321134      5.42032458    -12.47145249
  H     16.02712698      6.53092160    -11.19524604
  O     15.71670034      9.52892348     -9.98901990
  H     13.92930649      6.73974739    -12.02511060
  H     19.00627902      7.96153753    -11.36144328
  O     17.18053127     10.45678852    -12.17460004
  H     12.65155481      4.20877906    -15.63695815
  H     20.17401178      8.55754397    -12.17956129
  O     15.59193792      3.96225395    -16.17434371
  H     12.28552616      2.70632330    -15.65877752
  H     12.54577816      8.25397023     -9.81852934
  O     16.52401733      7.71130709     -8.02381348
  H     12.79042975      9.50388099    -13.44073346
  H     12.46276334      6.92910085    -10.59686898
  O     12.43225113      5.79662499    -16.31196297
  H     13.89647063     10.56385072    -13.32297433
  H     14.56147984      5.08554062     -9.02007186
  O     14.97148330      6.49211521    -17.42133617
  H     15.96492939      9.02833932     -9.20109526
  H     13.78997376      6.41887703     -8.90346288
  O     15.39582449      8.39655968    -15.47088200
  H     14.77928343      9.75767366     -9.92926096
  H     13.64418678      8.04897039    -14.80783933
  O     14.11425741      3.79146859    -12.81526264
  H     16.70533154     10.25010517    -11.35775483
  H     12.78492280      7.35165569    -13.71343041
  O     15.56292457      7.26119737    -11.62394105
  H     17.93818339      9.86118816    -12.19757808
  H     12.41765963     10.77276324     -9.87107545
  O     19.22669135      8.45140740    -12.17419780
  H     14.71131847      3.62301568    -15.97389565
  H     12.98873930     10.14969881    -11.16644341
  O     12.44798219      7.30144179     -9.70482800
  H     15.45217831      4.78865572    -16.65325507
  H     14.40647699      3.52693761    -11.05050084
  O     14.57519771      5.94482103     -8.58836672
  H     16.64534798      7.74991946     -7.07916139
  H     14.53479365      2.61332702     -9.81287341
  O     12.73837985      7.92867623    -14.49216107
  H     15.83636533      7.04001238     -8.19060544
  H     18.04476548      7.64312119    -13.41011980
  O     12.98680032     10.07944619    -10.19433583
  H     13.21173069      6.00836197    -16.84052522
  H     16.57906437      7.34382860    -13.05506841
  O     14.72032655      3.49328984    -10.13176445
  H     12.32663568      6.54438584    -15.70937319
  H     17.05693678      4.63907746    -11.90231316
  O     17.23177985      7.27266899    -13.77178313
  H     15.14378414      7.21566930    -16.79641387
  H     16.36072289      4.32737433    -10.55359857
  O     17.03628016      4.87922489    -10.96542239
  H     15.23955043      6.80547936    -18.28172410
  H     16.94073687      5.47010280    -13.82456119
  O     16.67115919      4.54687030    -13.72240715
  H     16.09436458      7.96497924    -14.95648454
  H     16.42208972      4.24248176    -14.60756035
          69
 Energy    -251.17899563331690     
  O     10.85655250      8.76833855    -11.54749769
  H     11.35028112      9.47764106    -11.97903862
  H     17.43587492      5.06113807    -10.02628484
  O     16.73425750      9.52027338    -10.38229998
  H     10.80576999      8.04052085    -12.18040625
  H     16.77768721      7.66929972    -10.25336666
  O     15.51533385      5.80161003    -14.74395925
  H     17.19633187     10.18074059     -9.87305233
  H     15.71700295      6.53930837    -10.25996352
  O     16.88674979      2.17571961    -12.97998573
  H     15.78556433      9.73430719    -10.32715099
  H     13.75230402      3.31258495    -14.53224389
  O     16.90057350      9.15785096    -13.22315808
  H     15.26326466      4.88280930    -14.58089465
  H     14.27099656      3.47714496    -13.08140909
  O     14.37928309      9.54877621    -14.21611130
  H     16.29976697      5.98878972    -14.20969553
  H     13.99448417      8.01810916    -13.25289237
  O     14.08201884     10.03329308    -10.28749742
  H     16.54203348      2.02389827    -12.09206019
  H     14.37630559      6.56342802    -13.56684055
  O     12.09620049      3.61564868    -15.17715959
  H     16.12824649      2.47350311    -13.50094978
  H     11.62518768      8.35163071    -10.04894490
  O     15.81294923      2.25668118    -10.29542485
  H     17.25817211      8.26452102    -13.29624597
  H     11.61672232      8.25701709     -8.50309814
  O     12.58894015     10.76904375    -12.61252201
  H     16.91695709      9.36619463    -12.28095992
  H     13.18135991      7.25803824    -16.27416640
  O     18.92944648      3.93908768    -12.67781294
  H     15.31116966      9.49949427    -13.95231439
  H     14.64852516      7.02118973    -15.88583119
  O     17.74059485      4.14450945    -10.07018544
  H     14.25878059      9.01798055    -15.01781334
  H     17.22894382      6.48419985    -12.08554459
  O     16.66562323      6.71385443    -10.33354924
  H     13.59588989     10.37489754    -11.04760253
  H     18.14762707      5.60753796    -12.96500040
  O     14.55547869      3.32195209    -13.99183694
  H     13.48013924      9.43037167     -9.83588700
  H     10.71655437      6.55353937    -16.53375364
  O     13.84620801      7.10798263    -12.96913655
  H     11.63367192      3.63943631    -14.33053228
  H     11.27195307      6.48757201    -15.09398349
  O     12.17400568      8.15022823     -9.26887664
  H     11.92778042      4.46829004    -15.59577939
  H     13.32086530      6.82769018     -9.88463819
  O     14.03971044      7.69367401    -16.22339792
  H     16.49491341      2.93566397    -10.14042071
  H     13.91828378      6.62800455    -11.30273307
  O     17.57396415      6.38355587    -12.98395229
  H     15.92592369      1.59500604     -9.61836951
  H     11.03441781      5.67703476    -12.94127652
  O     11.48951608      6.31851428    -16.02516296
  H     12.37665995     11.64830467    -12.91468889
  H     12.11848071      6.76102126    -13.17671615
  O     13.92432551      6.27672584    -10.39640329
  H     13.21837551     10.39687261    -13.25558384
  H     11.98060413      3.74055687    -12.00356959
  O     11.17278468      6.56871872    -13.28445763
  H     18.23446819      3.28265004    -12.86555554
  H     10.50182247      3.29565774    -12.01700471
  O     11.12719557      3.87217116    -12.44916841
  H     19.74838425      3.57299307    -13.00015344
  H     13.73692007      4.57084143    -10.92622900
  O     13.63961040      3.69142590    -11.31994693
  H     18.28738400      4.08489592    -10.86320274
  H     14.31117633      3.12697699    -10.91583398
          69
 Energy    -251.17766053168276     
  O     20.10353796      9.76017864    -13.77032004
  H     19.49404643      9.69438929    -14.51523739
  H     16.17426598      9.60241797    -13.82876505
  O     20.37236374      6.68384646    -11.47469728
  H     20.65933473      8.97268471    -13.81164181
  H     18.66630889      6.96905104    -12.04100517
  O     15.05630743      8.50463675    -10.39260803
  H     20.18538851      5.73634367    -11.38340661
  H     17.44363615      7.90848048    -12.26854822
  O     13.20806818     10.40865404    -14.37335086
  H     20.85480676      6.81785720    -12.29952999
  H     15.72750687      6.20637110    -14.70089004
  O     18.27653385      9.35758782    -15.95263079
  H     14.82042384      7.68242676    -10.84815538
  H     15.32687013      7.70822352    -14.70550310
  O     12.32841756      7.71343296    -14.88692842
  H     15.63305786      8.28126328     -9.65199303
  H     17.87815377      8.16738728     -8.83751454
  O     17.24040452      5.51303217     -9.91192988
  H     12.74849857     11.22772527    -14.53733030
  H     17.08923551      8.09766224     -7.50778501
  O     14.14560789      6.36258144    -11.97386292
  H     13.10384834     10.21469090    -13.42401814
  H     20.74007328      6.98402930    -14.62566610
  O     19.36347088      4.14088173    -11.15667824
  H     17.37728451      9.42475949    -15.59195443
  H     22.27359491      7.02312295    -14.41692389
  O     15.43942903      3.94020534    -11.30818612
  H     18.27451317      9.83464547    -16.77922022
  H     12.27725274      8.89604593    -11.84787123
  O     17.37448999      2.95274050    -12.94283319
  H     12.53330735      8.65655200    -14.87462783
  H     13.57336385      9.40814457    -11.19448095
  O     15.82908930      9.49647326    -14.73054788
  H     13.18386830      7.26438093    -14.94199669
  H     19.38213803      9.37167672    -10.17655987
  O     17.72537127      6.98736793    -12.26677369
  H     17.15104287      6.18998490     -9.23362269
  H     19.81990122      7.89360887    -10.16309040
  O     14.97764348      6.81083039    -14.62167533
  H     17.30859908      5.99629307    -10.75035727
  H     19.54682592     11.65803016    -11.31820015
  O     17.02570038      7.91006569     -8.44024709
  H     14.47501777      6.51534454    -12.87084422
  H     19.58879376     10.43628851    -12.26903467
  O     21.44390057      7.24874941    -14.00548735
  H     13.19621618      6.53479520    -11.99910252
  H     17.45419367      5.92641141    -13.64631799
  O     12.85124401      9.67001526    -11.77887397
  H     18.71065294      4.47979842    -10.52784395
  H     17.34747866      4.44000822    -14.05797921
  O     19.36048091      8.56772128     -9.64398120
  H     18.84714425      3.66904090    -11.81969373
  H     18.67835401      6.14948690    -15.34110720
  O     19.21460947     10.77215206    -11.43350599
  H     14.86529706      4.66593851    -11.58362575
  H     18.96468851      7.57542121    -15.86233188
  O     17.31095617      5.33843254    -14.40681194
  H     16.01463334      4.33800030    -10.63915482
  H     11.67658862      7.34826555    -13.29830997
  O     19.38107052      6.72675085    -15.66939174
  H     17.25913734      2.01913929    -13.09732252
  H     10.61363132      6.83854304    -12.29299946
  O     11.48312393      7.22405124    -12.35129748
  H     16.63163985      3.23611214    -12.37914424
  H     17.52866424     10.12129706    -11.83416378
  O     16.77834914      9.64122779    -12.20413946
  H     14.94879611      9.89166089    -14.73473869
  H     16.18043319      9.37333437    -11.49177405
          69
 Energy    -251.17406832741142     
  O     11.85069448      8.80474660    -15.22595546
  H     12.20202236      9.69002221    -15.37479514
  H     18.87365743      8.33780749    -14.90066086
  O     16.28992524      6.98665983    -12.25083633
  H     12.47945081      8.19352245    -15.63212532
  H     16.09261939     10.84757040    -16.28626151
  O     16.51221815     11.27411791    -12.18171749
  H     15.91032809      7.51911413    -12.96744745
  H     15.54020598      9.86851918    -17.34150636
  O     17.18136651     10.71186960    -14.82767915
  H     15.59470895      6.89083179    -11.58744258
  H     15.95634501      9.22485772    -14.52173803
  O     13.93182044      4.64454329    -14.78825472
  H     16.32781630     11.58580481    -11.28337171
  H     14.64866583      9.26928840    -13.70466531
  O     13.57059844     10.31577095     -8.73374043
  H     17.03218947     10.46601284    -12.07026330
  H     11.21618612      8.21514850    -13.72335662
  O     14.15424532      6.96387239    -10.49115965
  H     18.01419410     10.23285014    -14.73267791
  H      9.97132116      7.73145981    -12.94279490
  O     13.88338180     10.75739776    -12.91007624
  H     16.99280408     11.12236340    -13.97282736
  H     18.03602775      9.26639166    -10.01661253
  O     15.40162823      8.12812995     -8.33781779
  H     13.52038774      4.97361232    -13.96832904
  H     18.68252778      9.41300709     -8.62268951
  O     17.90337863      7.33505402    -15.88417487
  H     13.59389206      3.76448790    -14.92925064
  H     12.08123611      6.34646153    -12.69379258
  O     16.72063016      5.29337044    -14.44185477
  H     12.87855749     10.63488915     -8.15945477
  H     13.25991439      5.93929177    -11.78958343
  O     19.34537986      8.98151841    -14.33849309
  H     13.13229936      9.95582575     -9.52194597
  H     18.66782526      8.96443034    -12.57769154
  O     15.37616345     10.72279719    -16.92562103
  H     13.61850916      7.73709839    -10.71399587
  H     17.51621003      8.19871288    -11.87921847
  O     15.25098955      8.67147973    -14.16514692
  H     14.60964213      7.19113176     -9.66766399
  H     16.66391047     10.97011916     -9.23756399
  O     10.91454386      7.85184522    -12.87123571
  H     14.77476213     11.05782773    -12.68074231
  H     15.15568777     11.27883315     -9.23227572
  O     17.84787133      9.45656820     -9.08310012
  H     13.63359129     11.12068291    -13.76930958
  H     15.78795900      7.66248677    -18.68696112
  O     12.76796823      5.67912816    -12.57898664
  H     16.26941210      8.50186371     -8.53255862
  H     15.12902393      7.65340622    -17.28825854
  O     18.11339084      8.95805811    -11.78865442
  H     14.79306912      8.87778990     -8.31848708
  H     11.88568357      8.78443408    -11.58193833
  O     16.01032580     11.62397985     -9.51783601
  H     17.52035856      6.56279497    -15.44074645
  H     13.01622878      9.83276008    -11.70166420
  O     15.84955981      8.04152567    -17.81358612
  H     17.29928879      7.57694356    -16.59287849
  H     12.74221796     12.13027219    -15.94218073
  O     12.57042807      9.23938305    -11.07684147
  H     16.68064852      5.71922275    -13.57446862
  H     13.91713738     11.13571178    -16.08412236
  O     13.13589959     11.35729755    -15.54627412
  H     15.82817936      4.96789903    -14.60411857
  H     14.43522790      7.64006502    -15.35716142
  O     13.96937941      7.13515869    -16.04433756
  H     20.25516362      8.97901979    -14.62241513
  H     13.91077111      6.22594689    -15.72529803
          69
 Energy    -251.17090870020860     
  O     15.78859862     11.00979708    -15.55821290
  H     14.92020579     11.34618839    -15.31033618
  H     13.69851801      7.55015636     -7.28309548
  O     16.63048452      6.94863480    -11.24277573
  H     16.33935454     11.09452793    -14.76661835
  H     13.24218142     12.18282078    -11.26904012
  O     12.15668832      7.15791045    -12.21477645
  H     15.81205267      6.59358944    -10.86887736
  H     14.63292321     12.73151357    -11.67377013
  O     12.44454410     11.33034531     -9.77468923
  H     16.72357759      6.53647659    -12.11224603
  H     15.12209500      9.62901183    -10.90058080
  O     19.47427607      9.36772879    -13.05228092
  H     12.49444025      7.92982012    -12.69499866
  H     15.85325332      8.51118816    -11.67441045
  O     16.44997399      5.76855552    -13.75686421
  H     12.11443807      6.44658056    -12.86403908
  H     16.14229116      9.51144609    -16.31459798
  O     13.37204279      9.18315431    -13.60914129
  H     11.80316144     11.83816181     -9.28403174
  H     16.54849980      8.75212073    -17.60150273
  O     17.35872101     11.00675187     -9.06211046
  H     12.06182539     10.44385475     -9.90033367
  H     17.79897816      6.87918185    -14.42269532
  O     14.60062580      4.10949539    -12.53741994
  H     19.07768507      8.72128353    -13.66408644
  H     17.69659689      8.01481209    -15.45687240
  O     14.78925095      9.97292916     -9.07315221
  H     20.37709695      9.49066072    -13.33272682
  H     12.11062603      8.29809345     -9.28068309
  O     18.46052345      8.92970397    -10.42403175
  H     15.79143099      6.28091208    -14.24570486
  H     11.60593257      8.19096804    -10.73037994
  O     13.61126649      7.65242683     -8.22711400
  H     15.95962209      5.03553924    -13.35783689
  H     13.45211583      6.45029512    -11.08282521
  O     13.73197996     12.58272410    -11.99563290
  H     14.08746854      9.29076725    -12.96212359
  H     13.94256121      6.45256446     -9.61966420
  O     15.37795783      9.34593155    -11.78549290
  H     13.20292443     10.05343720    -13.98675585
  H     13.27155558      5.90949667    -14.73621227
  O     16.35182705      8.63054755    -16.67677616
  H     17.77853104     10.27259174     -9.54646590
  H     12.14867005      4.88771319    -15.02063895
  O     18.25970108      7.65876885    -14.75930418
  H     17.98080544     11.28434642     -8.39513252
  H     16.73167097     12.28710017    -10.38661732
  O     11.57896234      8.75269443     -9.94541139
  H     13.87013845      4.34397908    -13.12312943
  H     16.75702269     12.32144068    -11.91576638
  O     14.10219603      6.05557154    -10.48434216
  H     14.43614567      4.58886083    -11.71511789
  H     14.07991669      7.92294740    -14.67746072
  O     12.64652564      5.29510497    -14.31610247
  H     15.63704508     10.42411256     -8.96545960
  H     15.06483442      7.60622064    -15.82739992
  O     16.36919656     12.75859011    -11.14431877
  H     14.08973729     10.62246444     -9.22459810
  H     12.61800192     12.41718756    -14.91188616
  O     14.46471807      7.19727570    -15.19132782
  H     18.90784997      9.08651796    -11.26474138
  H     13.43098478     12.15071703    -13.62253811
  O     13.24941137     11.81942394    -14.52219810
  H     17.90547874      8.15219632    -10.57069757
  H     18.03185719     10.54466750    -13.14311703
  O     17.18083468     10.99821624    -13.15553093
  H     14.10600922      8.45379087     -8.47198829
  H     16.56048776     10.43487362    -12.66832584
          69
 Energy    -251.16270809006312     
  O     21.28655313     11.81435483    -18.30700822
  H     21.55916338     12.72186042    -18.07992536
  H     19.62053610     17.63810941    -17.47267986
  O     15.63528016     16.93428981    -14.01127500
  H     22.00814218     11.42174721    -18.79061022
  H     15.13164941     12.28982988    -13.48049604
  O     22.29046360     15.07662899    -14.91398925
  H     15.01656498     17.59349911    -13.70925148
  H     15.29288748     10.84546659    -14.03769796
  O     17.20438111     11.35942687    -17.18719700
  H     15.96099931     17.23342694    -14.88096396
  H     20.36491056     17.75271381    -15.33976982
  O     17.47466542     11.09712815    -11.78877226
  H     21.75101494     15.87991729    -14.79939340
  H     19.93814816     17.04787471    -14.03922337
  O     15.94678517      9.60301841    -15.38798645
  H     23.11664115     15.23704776    -14.46575865
  H     17.95570776     12.84879165    -12.19822375
  O     21.91803006     14.34992902    -17.63498406
  H     16.79941148     12.21642303    -16.98360071
  H     18.91392254     13.50204717    -13.21404291
  O     19.73357091     16.02327614    -18.20872874
  H     16.69580552     10.69671759    -16.70565127
  H     18.98448895     10.05398087    -14.66276210
  O     15.59835784     14.09755543    -13.81692304
  H     16.60680300     11.14703465    -12.23003561
  H     18.24011010     10.11742703    -13.29720818
  O     20.23414605     13.23462846    -14.37379654
  H     17.32891483     10.69007863    -10.93892641
  H     15.93485103     15.14010265    -17.80808791
  O     18.67358071     12.39211369    -19.35185513
  H     16.79573860      9.50251676    -14.91964146
  H     16.69168284     15.61353468    -19.05788955
  O     19.47596398     18.41511218    -16.90593959
  H     15.58022809      8.72808274    -15.48593464
  H     17.42279655     16.67703866    -13.50059051
  O     15.18943202     11.35896369    -13.22744994
  H     22.14624482     14.61096030    -16.73492108
  H     18.30167127     15.51020636    -12.98006724
  O     20.70847603     17.26024758    -14.58500452
  H     21.25604201     14.98572227    -17.93727625
  H     16.47543121     17.14819917    -17.11415241
  O     18.14738838     13.68058591    -12.64781908
  H     19.33173252     15.62013180    -17.42131104
  H     17.59798990     18.03203179    -16.50962924
  O     18.34314179      9.59774486    -14.10362474
  H     19.21761107     15.72373870    -18.96745946
  H     18.86469033     11.22588879    -16.43147890
  O     16.08271468     15.91107816    -18.37277752
  H     16.47755487     13.95549556    -13.43598422
  H     20.36471244     11.23079949    -16.80374311
  O     18.33384607     16.36680120    -13.42774436
  H     15.46405385     15.05329351    -13.83872605
  H     18.49144096     15.59807749    -15.22089756
  O     16.70987870     17.69792291    -16.35100645
  H     20.20198724     12.45763606    -14.95000820
  H     19.23687059     14.28340719    -15.49890111
  O     19.75526495     11.12937350    -16.06198732
  H     21.04837460     13.72836428    -14.53030505
  H     18.01622885     14.90703679    -21.12236206
  O     18.67553106     14.95100738    -15.91270994
  H     19.57519817     12.17367000    -19.08895666
  H     18.27477450     13.98188796    -19.91086667
  O     18.09750062     14.90355156    -20.17259420
  H     18.09531198     11.94719881    -18.71849448
  H     15.83945066     13.84980803    -15.62777585
  O     16.24002119     13.82263239    -16.50545812
  H     19.72603652     19.17958022    -17.41913643
  H     17.10919861     14.23950180    -16.39558936
          69
 Ord_Energy   -251.161667    
 O   -5.56354713      0.181752473       1.17121172    
 H   -5.85859156      0.655035913       1.95824754    
 H   -5.11437511     -0.614301682       1.49601543    
 O   -3.80449033      -5.62009764       2.89540887    
 H   -3.76277041      -6.19989538       3.66668344    
 H   -4.64311028      -5.13606882       2.95308185    
 O   -1.74802041      0.956997514       2.32368565    
 H   -2.20350695      0.943570852       1.46258402    
 H   -1.14027894       1.69102085       2.30255771    
 O   -6.01152802      -4.02839184       3.13214207    
 H   -6.84318113      -3.77357197       2.71408796    
 H   -6.04923439      -3.71837640       4.04891825    
 O   -1.25445116      -3.21231222     -0.178069144    
 H   -1.77589560      -4.00878429      -2.47943103E-02
 H   -1.22766447      -2.74223113      0.668003142    
 O   -6.25069475       1.14443338       3.70917869    
 H   -6.72713566       1.88917232       4.06550694    
 H   -6.76839876      0.348546684       3.92977929    
 O   -3.07733822      -3.58290124       7.99296045    
 H   -3.18626785      -2.93849039       7.27273941    
 H   -2.94766641      -3.07978868       8.79257679    
 O   -5.24895811      -5.22608662       7.04532242    
 H   -4.81679153      -5.87082672       6.47390509    
 H   -4.53597021      -4.76145267       7.50301552    
 O   -3.10348558      0.752011180      -1.51889203E-02
 H   -4.02285242      0.675447643      0.277187854    
 H   -2.95386028       3.32616419E-02 -0.639511228    
 O   -7.60245037      -1.13235164       4.23780727    
 H   -7.93104935      -1.66901386       3.50748086    
 H   -7.16857147      -1.74259722       4.84964466    
 O   -2.66159749      -1.51760936      -1.75070655    
 H   -2.06261206      -2.09484434      -1.24310267    
 H   -2.27287865      -1.40467560      -2.61426926    
 O   -3.15650439      -5.35842705      0.222703725    
 H   -3.36007714      -5.49016190       1.16318095    
 H   -3.02636981      -6.22846794     -0.147929713    
 O   -4.33251619      -2.22354794       1.82396281    
 H   -4.90083265      -2.77429771       2.37590122    
 H   -4.45004845      -2.53689361      0.916240454    
 O   -6.04922009      -2.98623061       5.66920757    
 H   -5.17919350      -2.56235337       5.68997765    
 H   -5.96425390      -3.79083133       6.20033360    
 O   -3.59669042      0.349731773       4.45082808    
 H   -2.99220014      0.621434987       3.75063729    
 H   -4.46987009      0.681239665       4.20973063    
 O   -4.71367836      -3.17745757     -0.777503192    
 H   -4.25631189      -3.99914503     -0.557573795    
 H   -4.07932663      -2.61084700      -1.23887026    
 O   -1.63950908      -5.40994024       6.33875895    
 H   -1.54755974      -4.83492422       5.56490850    
 H   -1.99269402      -4.84539843       7.03754187    
 O   -7.11491871      -1.78726578     -0.121955559    
 H   -6.40421200      -2.32642007     -0.491546631    
 H   -6.69324589     -0.980551481      0.205456004    
 O   -3.43307471      -2.04942870       5.73464012    
 H   -2.93104029      -2.62959194       5.14678192    
 H   -3.45087528      -1.16749358       5.33408451    
 O   -3.62324023      -6.97897625       5.35083008    
 H   -3.52905464      -7.89405584       5.60272789    
 H   -2.86533237      -6.50293112       5.73602581    
 O   -1.97499192      -3.79680634       4.08884907    
 H   -1.66951668      -3.13190818       3.45666909    
 H   -2.57214403      -4.38954926       3.61461759    
 O   -8.31157494      -2.87863040       2.04573083    
 H   -7.94361258      -2.48570347       1.23438835    
 H   -9.19533825      -3.16811562       1.83626342    
 O   -1.63718641      -1.83966410       2.21176863    
 H   -1.48244655     -0.893481255       2.30787373    
 H   -2.59756875      -1.94306874       2.10554838    
          69
 Energy    -251.16034918075729     
  O     12.34764402     11.28786251    -14.78257835
  H     12.58816923     10.61800401    -15.43766409
  H     16.14321041     10.79999740    -16.91743326
  O     15.32557315      6.55817591    -13.06077159
  H     13.08661908     11.90599120    -14.74795847
  H     15.19687323      9.68724199    -13.79830375
  O     17.83738266     10.29243874    -12.02681425
  H     15.23048107      7.39315991    -13.54822782
  H     14.52818757      9.06209962    -15.05609829
  O     12.24166264      6.68786618    -15.77328749
  H     14.71210718      6.61961945    -12.31845672
  H     11.55516003     10.58464277    -13.42105800
  O     15.06474502      9.62584407     -8.73797773
  H     17.87427057     10.38958855    -11.06645143
  H     10.27751858     10.51575351    -12.55051024
  O     13.54273360      7.12982382    -11.01324978
  H     17.85233960      9.34077167    -12.19983297
  H     17.93984815      7.33032809    -10.68894546
  O     15.25547441     11.06066701    -12.60845952
  H     11.47774690      6.21404748    -16.09112446
  H     17.87039708      8.32328284     -9.51219247
  O     16.65907425      6.73119258    -17.42106175
  H     12.06371242      6.90953871    -14.84041046
  H     12.28457724      7.14141989    -12.44985705
  O     15.26869683      6.75409523     -8.82382345
  H     15.04282726      8.66708575     -8.63039971
  H     11.47360323      8.30689599    -13.04920246
  O     17.79293706      8.21297367    -15.27021391
  H     14.40369922      9.83090382     -9.41257381
  H     18.44595133      9.94371381    -15.04780166
  O     14.89586222      5.67467777    -15.68205470
  H     14.04188467      6.87293685    -10.22816375
  H     18.39454277     10.86407540    -13.82452025
  O     16.33732087     11.59027592    -16.40643417
  H     13.50670296      8.09814568    -11.00055470
  H     17.01611873      7.06729860    -12.61461797
  O     15.23133454      8.94013801    -14.40860847
  H     16.19317693     10.92290601    -12.41325988
  H     18.14007890      7.63236795    -13.48246716
  O     11.14190449     10.13027390    -12.66446825
  H     15.15889288     11.79060842    -13.23254234
  H     18.03080327     10.72693832     -8.50531566
  O     17.74902596      7.39437041     -9.74414343
  H     16.02417172      6.31504731    -16.80860042
  H     16.72239961     10.09303508     -9.03488045
  O     11.75903833      7.40005820    -13.21667377
  H     17.06270017      6.02543077    -17.91865461
  H     15.69785634      9.41176322    -18.96472183
  O     18.47043429     10.87496666    -14.78567930
  H     15.34030676      6.11633184     -8.11879727
  H     15.97474574      8.36389708    -17.86572953
  O     17.88343062      7.49673221    -12.56195186
  H     16.17072422      6.90061283     -9.16070596
  H     12.54030904     10.05314814    -11.42290177
  O     17.66756885     10.22572853     -9.23025561
  H     17.62440414      7.64701009    -16.02936418
  H     14.05244335     10.35814562    -11.52222338
  O     15.55753444      9.22200137    -18.03941368
  H     16.92011266      8.53003051    -14.98533421
  H     15.28629587     12.44023131    -15.34887716
  O     13.38313795      9.92209311    -10.97278739
  H     13.96864027      5.92782949    -15.76804798
  H     14.83610356     13.80991931    -14.78667225
  O     14.72833527     12.86962715    -14.67444677
  H     15.10638667      5.78204829    -14.74448962
  H     13.95313253      9.20040934    -17.08735291
  O     13.26851714      9.21928258    -16.40669870
  H     17.13202532     11.40084171    -15.88327247
  H     12.88763935      8.33468570    -16.32485361
          69
 Energy    -251.15868012331214     
  O     12.59996709      0.78659993     -9.58715815
  H     11.76036569      1.14249951     -9.90802335
  H      8.79148955      2.80623122    -13.15941489
  O     10.42810447      2.12509383    -10.78292624
  H     12.94026429      1.41962763     -8.94257902
  H     10.47900620      7.20934268    -12.26185235
  O     10.31455705      5.67737215    -15.81338690
  H     10.39384191      2.94752731    -10.27280346
  H     11.01318159      8.59004905    -12.69668403
  O     15.63060008      2.79734376    -10.18876431
  H      9.59849009      2.08008240    -11.27230263
  H     10.43638288      4.92655615    -12.73859974
  O     10.37206004      4.61736059     -9.60539774
  H     11.14262436      6.10238994    -15.52508776
  H     11.87215014      5.38466443    -12.40329622
  O     12.34189408      2.34639932    -12.86836318
  H     10.25784072      5.80039580    -16.75697326
  H     14.07935373      2.68423902     -6.99734966
  O     13.50069654      4.88084518    -13.05541560
  H     15.30285626      2.10863947    -10.77884053
  H     13.48556600      3.65240428     -8.04196906
  O     13.87571407      8.02109928    -10.96515398
  H     15.13502246      2.69321976     -9.36655974
  H     12.73859517      6.19515794     -8.36722663
  O      8.37093617      6.68582089    -13.89488704
  H     10.58027718      4.97664290    -10.48373028
  H     11.92534288      4.97198304     -8.84010916
  O      7.44857750      5.15834566    -11.76103217
  H      9.54871291      5.03801397     -9.33083256
  H     13.70856027      0.63602698    -10.92534959
  O     12.76543475      9.03169456    -13.21822862
  H     13.06085649      1.74373021    -12.64110667
  H     14.66404348     -0.15397138    -11.85424223
  O      8.17485892      2.45882042    -12.49018871
  H     11.71385461      2.29817455    -12.13289529
  H     10.20162735      4.16807547    -14.79259718
  O     10.23031329      8.14312113    -12.35373212
  H     14.00861415      5.04566427    -12.24907730
  H     10.94046051      3.08970056    -13.91354807
  O     10.94929178      5.46935901    -12.12918893
  H     13.21107207      3.95891018    -13.03034958
  H     15.19139485      4.51418757    -10.53057694
  O     13.83882229      2.75639589     -7.91806497
  H     13.39171773      8.10524379    -10.13488838
  H     14.03037048      5.32275995     -9.91647760
  O     12.79619830      5.24233932     -8.51110089
  H     14.33762613      7.17489701    -10.91542068
  H      7.20768441      6.07015418     -8.77183000
  O     14.30007959      0.71305735    -11.69685056
  H      8.88498002      7.36443034    -13.43606927
  H      7.75520274      5.77224547    -10.18820365
  O     10.08979127      3.51270476    -14.09152748
  H      8.93118197      6.38532643    -14.61864754
  H     12.48257776      8.70681944     -7.86061485
  O     14.69810288      5.34318843    -10.61483063
  H      7.59145854      4.23185585    -11.97976661
  H     11.48745004      8.07952373     -8.86552362
  O      8.00663100      6.06154424     -9.29101489
  H      7.68500968      5.67661827    -12.54438009
  H     13.06983773      6.08633463    -14.37272275
  O     12.39358244      8.01607049     -8.51173307
  H     13.16730330      9.87538396    -13.40656291
  H     12.69014210      7.57895168    -14.43357604
  O     12.62456130      6.74873440    -14.91997812
  H     13.20507148      8.68452867    -12.42084010
  H      9.96213933      8.29705525    -10.53529691
  O      9.92026661      8.16882797     -9.57749608
  H      7.58583571      1.86040957    -12.94295441
  H      9.21747020      7.52672936     -9.42530740
          69
 Energy    -251.15773954814057     
  O     19.70442422     11.93632206    -19.51886269
  H     19.35065322     12.83986996    -19.61686428
  H     17.91393793     14.45969674    -18.96947803
  O     17.75360479     17.89620314    -13.96304222
  H     19.62823794     11.51526827    -20.37036955
  H     21.39443948     16.11727444    -17.41952241
  O     22.42485918     12.17700640    -15.42412425
  H     17.36671183     17.40567895    -14.69989054
  H     20.17034850     15.31160829    -16.97525760
  O     15.83781641     14.64098683    -13.39940072
  H     18.71280717     17.85866227    -14.07489024
  H     14.41966197     12.03259600    -14.07844986
  O     16.56432700     13.94345965    -17.68756796
  H     23.03921509     11.44849890    -15.41048260
  H     14.47573340     13.56488148    -14.02982663
  O     15.68953512     10.60762156    -13.70072767
  H     22.26862825     12.40026211    -16.36104232
  H     22.80918882     13.90400266    -14.78897270
  O     14.10543450     12.68883484    -17.12964163
  H     16.06544384     15.31041494    -12.74348479
  H     22.46130721     14.95157731    -13.70079785
  O     21.84399472     12.91967884    -17.93983962
  H     16.47892743     13.92166941    -13.29662807
  H     17.01814159     11.81273789    -13.18067353
  O     22.55766105     16.97693129    -16.13079139
  H     15.66711974     13.59254667    -17.62034401
  H     18.36220288     12.41534515    -13.68016011
  O     16.95679175     16.60206008    -11.72210513
  H     17.15031386     13.20797312    -17.45726354
  H     16.69319896     10.80167956    -16.70332051
  O     19.68117070     12.47245092    -14.91429110
  H     15.76599098     10.48755451    -14.66472767
  H     15.18610021     11.11269984    -16.76504980
  O     18.72904001     14.46261886    -19.48746479
  H     15.45085211      9.75967809    -13.33612796
  H     21.89405784     15.69517433    -11.37599505
  O     20.72860502     15.50121729    -17.74463192
  H     13.22913180     12.70402273    -17.50471076
  H     20.58864566     15.15869074    -12.00272170
  O     13.98793803     12.82570471    -14.41829118
  H     13.99963161     12.79178852    -16.16664710
  H     20.89333349     16.85598282    -13.42842725
  O     22.93432826     14.82537686    -14.53292612
  H     21.22945728     12.46515929    -18.52763697
  H     21.21420569     17.40222452    -14.84977660
  O     17.63936411     12.53988856    -13.04836088
  H     21.55200168     13.84126898    -17.92335323
  H     18.31664412     15.29100002    -11.57697950
  O     15.82737552     10.48956871    -16.40343737
  H     22.77200906     16.18530518    -15.60246372
  H     18.56571459     13.82519799    -11.99783259
  O     21.45469937     15.55300928    -12.21047867
  H     23.38117468     17.42510873    -16.30326855
  H     18.75264797     11.67093060    -17.93565499
  O     20.52150629     17.33812456    -14.17981681
  H     17.24093697     17.13686319    -12.48549946
  H     18.77346166     11.91361692    -16.39033030
  O     18.99690295     14.60843872    -11.63515661
  H     16.59535321     17.20625708    -11.07976738
  H     19.73454012     15.83232659    -14.91438284
  O     18.20152179     11.72142788    -17.14551830
  H     19.58861659     13.42811255    -15.06142350
  H     18.38281182     15.36973461    -15.51767249
  O     19.31002283     15.11953015    -15.40667866
  H     20.62103881     12.26864076    -14.97776505
  H     16.29124043     15.46390603    -14.95674079
  O     16.69485029     15.90184477    -15.72071321
  H     19.38039748     14.97509670    -18.99032007
  H     16.57041924     15.31533304    -16.47934517
          69
 Energy    -251.15745390049875     
  O     12.99805387      6.27490392    -15.98676494
  H     13.77373593      5.77591752    -16.27086952
  H     14.19598287     12.06161254    -12.67159235
  O     17.23015914      6.59999095    -12.76917238
  H     13.30488404      7.17994054    -15.84006764
  H     16.69847884      9.36103171    -11.90434565
  O     15.56850595      8.76032143     -8.92567002
  H     17.09206996      6.72154653    -13.71775929
  H     15.84332857      8.80549670    -10.72373313
  O     15.41922650      4.77086394    -16.35549772
  H     16.75205053      7.32741014    -12.34210596
  H     11.08864432      4.63668966    -14.07214361
  O     13.58044343      6.73516898     -9.00551861
  H     16.39013745      8.30032596     -8.70690332
  H     12.26593072      5.47040190    -14.63069325
  O     15.45288395      4.75901905    -11.79705637
  H     14.85340170      8.11235972     -8.87308166
  H     17.27983949      6.38771988     -8.78952646
  O     13.41639940      8.93665070    -12.59702943
  H     15.14220194      4.27406442    -15.56488958
  H     18.39741358      6.92662889     -7.86643821
  O     16.02301462      5.20970949     -9.09159643
  H     15.68137014      4.12610693    -17.00694196
  H     14.90313312      3.79647197    -13.30127166
  O     15.43143454     11.19434531    -15.60950738
  H     12.79080171      6.60394592     -8.48630997
  H     13.55187894      3.85647552    -14.02657594
  O     16.52258013      7.17850851    -15.38822932
  H     13.33399936      6.57452181     -9.93165838
  H     17.55995785     11.64366032    -11.54822932
  O     18.27647097     10.21888436    -12.24424995
  H     16.15899797      5.31482736    -12.16143329
  H     17.63385551     13.08773704    -11.00176520
  O     14.97543948     12.30142161    -13.18592765
  H     14.65958491      5.31058272    -11.76794774
  H     18.79032415      7.64229130    -10.24766767
  O     15.94349145      8.80024876    -11.68430112
  H     13.05516669      9.75516910    -12.23775972
  H     18.69135366      7.27936497    -11.73736356
  O     11.95745384      4.96477288    -13.85648842
  H     14.35116071      8.91637178    -12.32932381
  H     15.64351708     11.75578722    -10.04128368
  O     17.85544456      7.15472599     -8.61762926
  H     15.16957906      5.61334588     -8.89531490
  H     15.11133797     10.54917524     -9.23036831
  O     14.46024077      3.54707337    -14.12369420
  H     15.93701921      4.87800821     -9.99576963
  H     14.52515335      9.57595030    -15.49427354
  O     17.02711524     12.37783553    -11.19548259
  H     15.38180925     11.87601029    -16.27425260
  H     13.81891534      8.79854175    -14.35626863
  O     19.14734631      7.86326654    -11.11579820
  H     15.25973993     11.62371070    -14.75217051
  H     13.13019596      7.25647785    -12.02379611
  O     14.85870212     11.40453646     -9.60139368
  H     16.27283196      6.34312136    -15.80173622
  H     12.60105774      5.83804123    -12.36097668
  O     14.16034744      8.71421766    -15.25774698
  H     15.70708050      7.69542199    -15.31755283
  H     13.52870443     11.42173060    -10.72004302
  O     13.07157779      6.34916660    -11.69006293
  H     18.73474178      9.46964572    -11.83598359
  H     12.13946219     11.96212074    -11.13767823
  O     12.86946038     11.42800291    -11.43814780
  H     18.21626212     10.06238507    -13.19966511
  H     17.53424624      8.80588379    -15.14048786
  O     17.77022570      9.70505250    -14.88185865
  H     15.69097226     12.41053999    -12.54789819
  H     17.04738683     10.26274589    -15.19499218
          69
 Energy    -251.15598369705995     
  O      0.63523924      2.04951958      0.94187645
  H      0.22507055      2.11155039      0.07040214
  H     -0.37146788      2.41096313     -2.37629964
  O     -1.04532688      0.08191272      3.67942775
  H      0.67903596      1.10760601      1.14603705
  H     -4.47660364      3.74751502      4.32747901
  O     -4.03728966      0.24814074      0.10323601
  H     -1.72290762     -0.58406841      3.85900101
  H     -4.10622910      4.28991304      2.93910072
  O     -1.50235887     -3.32754372     -0.49206020
  H     -0.52501382     -0.23245487      2.92757810
  H     -2.77485057      3.86964258      0.03377240
  O      0.22160717     -0.72697158      1.36521598
  H     -3.66709194      0.71367499      0.87152360
  H     -3.79621125      3.21666980     -0.92065261
  O     -4.69342461      0.64163875      4.65401360
  H     -4.58727321      0.89018538     -0.36093796
  H     -5.93747418      3.09172089      2.37930336
  O     -6.88849271      0.07019617      3.18062173
  H     -1.54016614     -2.39755829     -0.75394722
  H     -6.65530302      1.72696818      2.18741493
  O     -3.52183971      2.88007474      5.80165951
  H     -2.35741573     -3.54052722     -0.09832288
  H     -2.75118235      3.16960967      2.01677168
  O     -1.55551652     -0.52361888     -0.80071978
  H     -0.41267093     -0.66924427      0.63580995
  H     -1.66158994      4.25303114      2.15041870
  O     -5.07534306     -1.62384399      1.81074500
  H      0.43692360     -1.66247034      1.46154434
  H     -5.86704572      2.51642607      0.09438145
  O     -1.94160565     -3.90804139      3.14005134
  H     -4.29957151      1.34919667      5.18069100
  H     -6.24408264      2.63803963     -1.40168246
  O     -0.72838761      2.05273608     -1.56805828
  H     -4.11626133     -0.13384119      4.68103073
  H     -2.73331430     -2.47558351      3.88365377
  O     -4.85875962      4.04173757      3.49353724
  H     -7.67635490     -0.05186952      3.70444147
  H     -3.82927036     -1.60184732      3.25003178
  O     -2.88268743      3.51860285     -0.86104408
  H     -6.17396311      0.30654213      3.79935563
  H      0.85037421      4.62704057      2.73326680
  O     -6.39064994      2.53197386      1.73138216
  H     -3.50312092      3.25813818      6.67653555
  H      0.34494883      3.31142250      2.09694019
  O     -2.56711447      4.10830438      1.85168377
  H     -2.59582055      2.81349992      5.50581917
  H     -0.88819786      1.66280798      4.60313376
  O     -5.52545288      2.42185552     -0.81446175
  H     -1.20883676      0.28643254     -1.19516999
  H     -0.57415601      3.12986786      4.25033090
  O     -3.21604660     -1.64315824      3.99596981
  H     -2.46461758     -0.31845034     -0.53871691
  H     -4.51560092     -4.64732785      0.78727885
  O      0.11545540      4.01991488      2.72542114
  H     -5.81859584     -1.17733235      2.23281660
  H     -4.37878937     -3.18737754      1.26877185
  O     -0.99025197      2.57212787      4.91812389
  H     -4.74067146     -1.01335134      1.13594058
  H      1.05040088     -4.17534367      1.25724001
  O     -3.87524611     -3.96954422      0.99065365
  H     -1.08712406     -3.81205909      2.70283045
  H     -0.24733098     -3.53596417      0.70358166
  O      0.37229201     -3.53552420      1.45652673
  H     -2.57588286     -4.08084808      2.43277774
  H     -3.77547823      1.34994152      3.04041758
  O     -3.08951633      1.43008156      2.36793690
  H     -1.51395662      2.58587257     -1.34799665
  H     -2.29253809      1.03603739      2.74683147
          69
 Energy    -251.15563627322916     
  O     -2.69751044      0.10771202      3.29405571
  H     -2.96024145      0.04475616      4.22351471
  H     -3.06167330     -3.63533437      4.62969506
  O     -3.66626027      2.76929074      6.41447472
  H     -2.23902657     -0.70887039      3.05576817
  H     -1.25201010     -3.77969627      8.55096223
  O      2.31176771     -0.92206148      1.95070360
  H     -3.47301115      3.17029028      5.54805927
  H     -0.91953377     -3.53223028      7.06045491
  O      2.30112076      1.69643691      2.98300500
  H     -4.35912335      3.29036755      6.81115740
  H     -0.18825322     -0.34509651      7.05400502
  O     -0.18660098     -0.67460607      0.47896279
  H      2.50587642     -0.02715391      2.26156839
  H     -1.13236183     -1.32118350      7.79878078
  O     -1.18544533     -2.10723689      2.63381447
  H      1.58088151     -0.82113398      1.33071761
  H      0.35313374     -3.56120906      5.06898088
  O     -3.28237029      2.19858636      1.67244375
  H      2.16067869      2.49372914      2.45998567
  H     -1.00328965     -4.28387240      4.94728040
  O     -3.01747231      3.82175425      4.01630769
  H      1.41938630      1.45180502      3.30300759
  H     -1.92558121      2.63505934      7.20562082
  O     -0.26879032      4.13533691      4.06060091
  H     -0.27733578     -1.16601295     -0.33494457
  H     -0.99948210      1.51342223      7.71154859
  O      1.17745258      3.92411867      1.64383854
  H     -0.58815180     -1.21977546      1.17472316
  H     -3.67767715     -1.80614393      6.00981638
  O      1.15981250     -2.19007597      4.11019301
  H     -0.37726608     -2.11386223      3.16898773
  H     -2.97061582     -2.95394839      6.75134212
  O     -2.64551642     -4.11220557      3.88863968
  H     -1.72465148     -2.85000924      2.93373302
  H     -1.10218031      0.95149653      3.73729404
  O     -1.40010706     -3.17487462      7.82906373
  H     -3.15282181      1.40549228      2.22262922
  H     -0.38572135      2.28088580      4.10363988
  O     -1.01503691     -0.39431458      7.55894474
  H     -4.09018711      2.06605542      1.18265735
  H      0.32068464      3.36842951      6.91587141
  O     -0.26824606     -4.12465992      5.55047873
  H     -3.17058072      3.37594963      3.17579601
  H      1.29655332      4.53951730      7.17013688
  O     -1.03571750      2.46153088      7.53484831
  H     -2.08343838      4.07593344      4.02056022
  H      2.96334457      1.89517141      4.78294899
  O     -3.59912055     -2.76821537      6.04182843
  H      0.30326084      4.19823319      3.28509148
  H      2.41967324      2.63116455      6.02293115
  O     -0.27123241      1.32362055      4.04981677
  H      0.27513123      4.18050099      4.85851742
  H     -1.53916179      2.24367408      0.92338296
  O      1.03978468      3.89216918      6.51815465
  H      1.45064940      4.53118145      0.96189142
  H     -0.44128957      1.21535057      0.57512291
  O      3.00588169      1.91488625      5.74854830
  H      0.53793554      3.31055941      1.23630630
  H     -2.47219174     -0.11764482      6.51000166
  O     -0.61940500      2.16121870      0.64362199
  H      1.69537386     -1.87022357      3.36973548
  H     -3.54841288      0.93861790      6.16032032
  O     -3.27130601      0.03120962      5.98261161
  H      1.22506821     -1.52202148      4.80687092
  H      0.55836010      0.39627462      5.30536427
  O      1.13467038     -0.09128595      5.91600277
  H     -3.21477912     -4.84748140      3.67940988
  H      1.91542947      0.46733595      6.02717756
          69
 Energy    -251.15550350021869     
  O     11.66873348      9.44517160    -14.80837391
  H     10.80733392      9.72225733    -15.10767867
  H     16.47668741      5.18351200    -15.38808894
  O     16.46802614      6.59652722    -12.55057698
  H     12.30237052     10.12788861    -15.09986235
  H     19.82488344      8.22112774    -14.08499424
  O     17.17152836     10.90389307    -11.36590859
  H     16.51615223      5.86863882    -13.18840043
  H     21.13463041      8.41287575    -13.28867238
  O     17.53414089     10.15596836    -15.79657344
  H     15.57139063      6.60626914    -12.19211371
  H     16.32478595     10.58683299    -16.97706090
  O     13.34255203      5.17361272    -14.00343073
  H     16.74183855     11.04693672    -10.51403377
  H     15.77527592     11.29251601    -18.23871876
  O     13.41096163      9.59800157     -9.47788613
  H     17.51467489      9.99778501    -11.34762120
  H     16.11384631      7.83549675    -13.84614343
  O     13.78014441      6.68184611    -11.73938313
  H     18.00065233     10.64794658    -15.10536875
  H     15.01857109      8.13306154    -14.91714028
  O     15.02176263     10.74773814    -13.11450128
  H     16.95446284      9.52212138    -15.34378662
  H     16.50901349      9.14284035     -8.80150741
  O     17.15272528      6.07759072    -16.89873573
  H     12.73640359      4.45292760    -13.85071362
  H     17.36001058      8.17264890     -9.64599403
  O     14.35946748      6.91068230     -9.02834513
  H     13.45242195      5.63189401    -13.15305581
  H     19.44892454     10.37597553    -13.45633089
  O     19.07315366      7.80675091    -15.61920111
  H     13.59661487      8.68330187     -9.23282475
  H     18.34996970     11.25925620    -12.83595823
  O     16.19065972      4.78307094    -14.55619799
  H     13.07549047      9.56434959    -10.38282259
  H     18.97848860      8.36276105    -11.87516033
  O     20.19672585      8.58294178    -13.26110254
  H     13.45649979      7.57201673    -11.94105463
  H     17.61790354      7.64433918    -11.72759498
  O     15.53860709     10.68343237    -17.54378860
  H     13.91900259      6.64212912    -10.78402588
  H     14.87075947     10.52345085     -9.13247549
  O     15.78838473      8.49995104    -14.46554955
  H     15.73845831     10.94751278    -12.50050225
  H     15.61159146     11.54568165     -8.23930005
  O     16.72951354      8.21005623     -8.91454252
  H     15.30796508      9.96125963    -13.60585453
  H     15.31919080      8.78267011    -17.79515070
  O     18.89488810     11.14818172    -13.62530382
  H     17.45266302      5.57902438    -17.65534656
  H     14.49520196      7.64819385    -17.15605550
  O     18.19991159      8.29734386    -11.30916259
  H     16.49854409      6.71541644    -17.23249053
  H     13.62952626      9.84188433    -12.45580865
  O     15.74346789     10.90681090     -8.93464331
  H     15.24866162      7.30676019     -8.97721461
  H     12.29562976      9.30124877    -13.00709293
  O     15.23392976      7.82315372    -17.75575105
  H     14.26017156      6.35987112     -8.25670208
  H     14.21107504     11.06854564    -16.22375473
  O     12.87823126      9.26737123    -12.24040008
  H     18.67063369      8.65333028    -15.85627978
  H     14.12356539     11.27259426    -14.68978977
  O     13.59293509     11.19979348    -15.49508912
  H     18.49187153      7.13586491    -15.99351801
  H     13.31782806      6.61902071    -15.15027389
  O     13.45311532      7.43723062    -15.64453046
  H     15.22707709      4.80136485    -14.54662260
  H     12.75863952      8.05712849    -15.38796910
          69
 Energy    -251.15468748660271     
  O     11.55568189      8.08181104    -14.97403578
  H     11.51838012      9.04491704    -14.96843593
  H     19.13330295      9.83895245    -14.89456583
  O     15.88874983     11.69880754    -12.16186845
  H     12.23354034      7.84708592    -15.62395749
  H     14.15672913     10.84675016    -17.24313310
  O     16.23048372     11.53834025    -14.93056073
  H     15.92128482     11.83997291    -11.20798792
  H     14.68159733     11.69337808    -16.06537554
  O     15.34410002      5.37404473    -15.89193483
  H     15.01491413     11.31784373    -12.34557085
  H     14.59894979      8.56100482    -15.24492809
  O     14.26183443      9.48032681     -8.87565359
  H     16.19902891     11.82812621    -14.00946729
  H     14.60509263      9.36611205    -13.91755981
  O     15.74044503      7.30341768    -11.43487006
  H     15.93972215     10.61247344    -14.92079793
  H     11.65910746      7.04292881    -13.60482542
  O     13.55624209     10.41033477    -12.79227259
  H     15.39308506      4.45145268    -16.12506741
  H     11.02353191      5.91291869    -12.75871116
  O     17.35393219      9.17293471    -17.63512443
  H     15.04596308      5.41574945    -14.96334641
  H     17.30686782     10.43913252     -9.21075736
  O     16.33488073      7.50518618     -8.67300060
  H     13.69216293      9.12272681     -9.56844205
  H     17.91852841      9.52226886    -10.27799961
  O     18.65063350     11.22859635    -16.17487835
  H     14.88305214      8.77153174     -8.66494581
  H     13.57374589      5.83093325    -13.17142405
  O     17.26808669      7.39972285    -15.45315312
  H     16.35127023      7.97923633    -11.76247366
  H     15.01634644      6.13773753    -12.70941363
  O     19.13688499      9.11585235    -14.25726319
  H     15.94771514      7.18550532    -10.49932896
  H     18.14683398      9.30455424    -12.78536141
  O     13.88536748     11.48089375    -16.56834579
  H     12.85108014     10.61467764    -13.41783043
  H     17.00012189     10.18042282    -12.17995778
  O     15.17468974      8.99325028    -14.60110850
  H     13.26077534      9.70876542    -12.19546903
  H     15.61132733     12.35160605     -8.68272544
  O     11.79727982      6.46458163    -12.83262467
  H     17.39650616      8.47228999    -16.97026613
  H     15.19687498     10.94342059     -9.16625861
  O     17.85578813      9.65358264     -9.32014437
  H     17.88538211      9.89825482    -17.28583041
  H     15.73838510      9.38181301    -18.17734718
  O     14.50002536      5.63258245    -13.35141156
  H     16.71217421      6.96141805     -7.98740455
  H     14.74429038      9.52961971    -19.35485647
  O     17.50345054      9.36484051    -12.06551982
  H     16.96050305      8.23615897     -8.83025871
  H     14.04469691      7.92769800    -11.25885900
  O     15.80718764     11.68375026     -9.33457365
  H     17.80989020     11.44662206    -15.73670806
  H     12.56694793      7.62707135    -11.61519866
  O     14.79411481      9.46329762    -18.40506835
  H     19.10803163     12.05230387    -16.32112563
  H     12.51178575     11.13829663    -15.54532117
  O     13.13729720      8.25507916    -11.15566547
  H     16.80241037      6.57847124    -15.64437171
  H     11.12061152     11.58313211    -15.03703851
  O     11.79792489     10.92254573    -14.91873035
  H     16.61448188      7.96845794    -15.01588944
  H     14.08279831      8.13768455    -17.31844490
  O     13.74780843      7.59649846    -16.59184916
  H     18.66967944      8.38510857    -14.68569546
  H     14.29052446      6.80078528    -16.51617516
          69
 Energy    -251.15292931414606     
  O     13.29372389      1.11438333     -9.94314875
  H     12.54736801      0.97526261    -10.54219064
  H      8.44341229      3.87861995    -14.57340109
  O     11.20496343      1.32818594    -11.83665210
  H     13.04557304      1.86270140     -9.38431897
  H     10.46862210      6.81377646    -11.55858955
  O     10.49524829      7.38834678    -15.33275519
  H     10.75720021      1.98997778    -11.29018607
  H     11.08357394      8.19579296    -11.22345698
  O     10.15155399      3.40891367    -10.35814625
  H     10.61360922      1.13897837    -12.57860801
  H     10.41865767      5.03650547    -13.14168534
  O      9.66486447      1.23277972    -14.12405903
  H     11.32099905      7.50061904    -14.82814087
  H     11.80619106      5.20516988    -12.47148888
  O     13.28411248      2.32173803    -13.38528384
  H     10.52545512      8.01634257    -16.04928021
  H     12.37521283      4.37957591     -8.28682401
  O     13.55340003      5.07675697    -12.93607208
  H     10.37360764      4.06086633    -11.04175270
  H     11.63433543      3.53361979     -9.34425276
  O     13.80082721      7.05988869     -9.59384025
  H      9.30597241      3.68354342     -9.98635229
  H     12.18001926      2.35949723    -16.42928648
  O      8.41322890      7.49643952    -13.25929726
  H      8.90700277      1.83045407    -14.10559160
  H     12.37319727      2.50874539    -14.90450072
  O      7.29255887      5.19996972    -12.12546139
  H     10.28012772      1.61054232    -14.76240722
  H     14.67657550      1.55002785    -10.89791933
  O     12.82872478      8.85997322    -11.36272215
  H     14.09601980      2.13491761    -12.89897591
  H     16.12965083      1.37690955    -11.40596212
  O      7.69731157      3.33167663    -14.27052827
  H     12.55596917      1.99905999    -12.83125161
  H     10.15841525      5.61238210    -15.21675748
  O     10.26975699      7.68111885    -11.17265110
  H     13.97377199      5.02136696    -12.06667849
  H     10.63483682      4.11067572    -15.27095150
  O     10.85611852      5.19267119    -12.29639491
  H     13.47221626      4.16333722    -13.23845902
  H     15.05685360      3.69186004    -10.76238922
  O     12.47460230      3.61680501     -8.86952982
  H     13.22388958      6.79827815     -8.86514458
  H     13.86742034      4.17261605     -9.90193991
  O     11.74945763      2.66251665    -15.63364228
  H     14.26438258      6.25819151     -9.86470838
  H      6.95030564      4.37408640     -9.12577298
  O     15.35348067      1.92314338    -11.49338822
  H      8.95186942      7.74994905    -12.49623685
  H      7.55677981      4.86569075    -10.46148396
  O      9.95150854      4.70886735    -14.94220858
  H      9.01558640      7.52521264    -14.00963755
  H     12.03601311      6.33763738     -6.65068818
  O     14.61058234      4.48387671    -10.44171693
  H      7.34609138      4.50579034    -12.79072315
  H     11.16899813      6.26187948     -7.93069994
  O      7.77000714      4.62893993     -9.53956442
  H      7.59969643      6.01438575    -12.54891662
  H     13.18138027      6.73832250    -13.69027495
  O     12.05256129      6.07067256     -7.56557159
  H     13.14739024      9.72588313    -11.12271048
  H     12.83675658      8.11512956    -13.09794160
  O     12.79015176      7.59458210    -13.90935451
  H     13.22080971      8.23253501    -10.72877939
  H      9.81106308      7.08106802     -9.50380815
  O      9.65920444      6.59394129     -8.68168991
  H      7.03961755      3.35843508    -14.96222030
  H      8.96746191      5.95228819     -8.87926244
          69
 Energy    -251.14301194685709     
  O      6.10903177     -9.05986714     -1.12544831
  H      6.12043216    -10.02439869     -1.15071099
  H      2.48237555     -6.44193391      5.43016823
  O      6.23013732    -11.08490264      4.49749052
  H      6.57303360     -8.81061842     -0.31514623
  H      4.82998158     -8.19937979      3.52348719
  O      8.36038799     -8.02179010      3.84498016
  H      5.47316270    -11.43420335      4.99385392
  H      5.30866750     -9.43548571      4.37159836
  O      4.23492571     -9.68436323      8.02294629
  H      6.10729816    -11.26013961      3.55573258
  H      3.44302907     -7.88621590     -2.35491049
  O      6.63306455     -8.53764901      7.41285091
  H      8.53724534     -8.72776053      4.47774001
  H      4.46597961     -8.52346309     -1.38695503
  O      4.03298625    -11.70026994      5.95518777
  H      7.82768494     -7.37943922      4.33083549
  H      5.96826706     -5.82371266      4.98635709
  O      3.04151308    -10.56387936      1.86205223
  H      4.21580147     -9.85867426      8.96013954
  H      5.86042051     -7.34604339      5.11524704
  O      4.72649038     -4.79683863      3.87479966
  H      5.10046594     -9.27930127      7.83452616
  H      3.13418291     -8.55474092      6.98067209
  O      5.69809530    -11.90134614     -0.88655823
  H      7.30105389     -9.08583704      6.98203716
  H      3.44949453     -8.31430267      5.49924034
  O      5.80391354    -11.01713594      1.78356435
  H      6.61772150     -7.71127653      6.91371835
  H      2.63251939     -8.88648739      1.39899117
  O      4.86205291     -6.98546922      2.11293095
  H      4.00264773    -11.05555257      6.67285080
  H      2.74670139     -8.00763297      0.12569806
  O      2.37090983     -5.71852069      4.79832224
  H      3.22610025    -11.59491583      5.43673695
  H      7.64349883    -10.53406354      5.33576853
  O      4.77964780     -8.62955433      4.38609419
  H      3.99434188    -10.71940535      1.92009489
  H      9.01437179    -10.80320788      6.00182999
  O      3.51875480     -8.33581989     -1.51760422
  H      2.63163941    -10.92590582      2.65663596
  H     -0.07598933     -6.54043772      2.35163211
  O      6.40669749     -6.58767515      5.37511097
  H      3.86465308     -5.05993412      4.24702295
  H      1.27587541     -7.25680893      2.13329474
  O      2.79806758     -8.11572313      6.19204228
  H      4.72030182     -3.84633548      3.80559873
  H      3.09681290    -10.22045366     -1.23837651
  O      2.48563672     -7.99101917      1.05550392
  H      4.74337722    -11.72490969     -0.96466714
  H      2.91090649    -11.04333760      0.04674484
  O      8.38478028    -10.11392728      5.80844265
  H      5.88338795    -12.67063015     -1.41764067
  H      0.54112910     -8.36900870      4.05141963
  O      0.67671027     -6.90390292      2.81174498
  H      6.26493628    -10.16897904      1.69054313
  H      1.31918571     -8.72917287      5.33153727
  O      3.08736374    -11.12445044     -0.90102137
  H      5.85910018    -11.45956816      0.92850417
  H      6.29423475     -7.91199374      1.61525820
  O      0.66462607     -9.06800158      4.70260258
  H      4.80847555     -6.16366496      2.61717308
  H      7.62098087     -8.40054475      2.23640449
  O      7.01749365     -8.54536571      1.49366199
  H      3.99566172     -7.18126978      1.73500366
  H      1.11656779    -12.15660818      4.24008534
  O      1.77294536    -11.46562041      4.19919685
  H      1.74245304     -6.03567391      4.13876681
  H      1.31161022    -10.62720834      4.38229560
          69
 Energy    -251.13825219309609     
  O     16.29016942     10.60212412    -10.05690707
  H     16.79415957      9.83074646     -9.77429089
  H     15.42891951      9.60508421    -15.96675416
  O     14.50827249      8.17345804    -15.22127938
  H     16.63210494     10.83388332    -10.93128856
  H     16.33867857      5.88578044    -16.06764669
  O     14.27124297      4.91249328    -11.85266968
  H     13.72346897      8.20619799    -14.65672791
  H     15.80403364      5.02512166    -14.91578940
  O     18.21555814      6.23885492    -13.55886232
  H     14.71416992      7.25020092    -15.41360896
  H     19.11768505      7.26233822    -12.28732831
  O     15.25864081     12.32694921    -14.27073277
  H     14.76962165      5.63796601    -11.44878091
  H     19.59665859      8.72356754    -12.24667763
  O     11.72836513      5.68584285    -11.13509155
  H     13.36357722      5.00434475    -11.52838469
  H     15.71354500      8.31748685    -13.89884670
  O     12.40802898      8.46824340    -13.40971283
  H     18.32085406      6.27422338    -14.51873496
  H     17.03253712      7.68678308    -13.35152189
  O     15.55097205      7.14159590    -10.83194134
  H     17.67163654      5.46350709    -13.37177059
  H     13.32440240     11.49225220     -9.46977161
  O     18.49546432      9.07332384    -15.87850499
  H     15.01882787     13.22303613    -14.48926568
  H     14.56430842     10.78637303    -10.06877793
  O     10.72899596      6.25481470    -13.80395768
  H     14.48332685     11.92632182    -13.83645445
  H     13.44559486      4.94682188    -13.57410858
  O     18.10987506      6.48170218    -16.36670650
  H     12.00398599      6.56133026    -10.82991423
  H     13.73517927      5.09471379    -15.07675148
  O     16.05548405     10.31732496    -16.15561618
  H     11.22200484      5.83771719    -11.94172763
  H     12.84191042     10.29976642    -13.23193337
  O     15.52075401      5.56491494    -15.66573857
  H     11.71401433      7.82786145    -13.60787835
  H     13.30593840     11.11808647    -12.00619497
  O     19.39673978      7.96498206    -11.68502117
  H     12.63013363      8.34322655    -12.47603343
  H     15.63461407      4.28930406    -12.76582077
  O     16.33459996      8.32552672    -13.15880915
  H     16.26005140      7.37333214    -10.22224927
  H     16.51245348      3.15197663    -13.33327459
  O     13.59694118     10.87479935    -10.14307380
  H     15.76102029      7.59980427    -11.66101517
  H     20.25919254     10.92118327    -13.46273833
  O     13.02193802      4.96418595    -14.44285301
  H     18.94273882      9.44763287    -15.11358414
  H     18.77962246     10.57741901    -13.17182470
  O     13.21890796     11.14784510    -12.96689205
  H     17.67904681      9.58060228    -16.00929771
  H     13.88073429      7.82039034    -10.63024789
  O     16.38107120      4.09661488    -13.35827676
  H      9.96917082      5.95681868    -14.29594060
  H     13.06388561      9.10790977    -10.39322502
  O     19.63211083     10.20228235    -13.45304641
  H     11.49463595      5.74828819    -14.13175140
  H     18.39403567      8.13073617    -10.26259393
  O     12.98714094      8.18956368    -10.67897819
  H     18.67078992      6.20494670    -17.08577827
  H     18.29443803      8.00716509     -8.72518348
  O     17.78474660      8.20490993     -9.50620939
  H     18.25365478      7.44047954    -16.25383307
  H     16.81270738     10.01814679    -12.87269471
  O     17.10984064     10.92929175    -12.71476217
  H     15.77718265     11.06205622    -15.61103896
  H     16.53990485     11.50570356    -13.23878624
          69
 Energy    -251.13715635879515     
  O     15.74056101      9.68219608    -15.08205137
  H     14.88204808      9.22025096    -15.11781666
  H     20.03802944      3.84136792    -16.59021994
  O     13.43066935      3.44313116    -16.19680565
  H     15.58130368     10.52634375    -14.66731179
  H     18.06542427      6.58709747    -16.18441457
  O     18.07742770      5.71195947    -12.14098316
  H     14.24032558      3.17477610    -16.66938295
  H     18.48742943      7.91913508    -16.81246741
  O     19.52470183      4.83009138    -17.91199064
  H     12.73177700      2.87039607    -16.50044427
  H     16.93454059      4.81907248    -15.40924849
  O     17.04799412      4.56522500    -19.29930953
  H     18.83942873      5.69219687    -12.73822043
  H     16.58587784      6.18429777    -14.69757325
  O     14.01577544      6.22154368     -9.96553739
  H     17.51450732      6.43335426    -12.45774828
  H     13.59785071      7.53099581    -15.72750914
  O     14.04761099      4.04631001    -13.49542842
  H     19.41455215      5.70518048    -17.51477800
  H     13.39381783      7.77657009    -14.21977561
  O     16.35744996      7.46375303    -13.35547130
  H     18.72203817      4.67067809    -18.42294190
  H     14.98074362      2.78902229    -10.30704301
  O     17.49221171      3.05307655    -15.28477328
  H     16.65308323      5.44179014    -19.14865567
  H     15.88237059      1.74243056     -9.60582373
  O     13.45376184      3.52010964    -10.77656720
  H     17.00680599      4.40847254    -20.23964063
  H     15.06301548      5.98662329    -16.34717043
  O     15.74845799      2.83364753    -17.42328194
  H     13.77677422      6.68756482     -9.16898192
  H     13.73927590      5.26791731    -16.65820114
  O     20.22700678      3.36638586    -15.75946243
  H     14.95116598      5.96604705     -9.87161839
  H     19.71574379      6.35220516    -14.85979806
  O     18.84458004      7.10906200    -16.43491515
  H     13.83358923      3.79178459    -14.40072371
  H     20.16342304      4.90760107    -14.60196396
  O     16.62679267      5.72408057    -15.54595013
  H     14.96750329      3.80268814    -13.32254762
  H     16.49419487      2.95019817    -11.85984547
  O     13.47886275      8.23012507    -15.06864722
  H     15.45254638      7.24244827    -13.08964261
  H     17.18642162      4.18248962    -12.50383152
  O     15.90530737      2.52871983    -10.14360052
  H     16.30556708      8.26652250    -13.88450724
  H     17.21684807      5.50298036    -10.47213281
  O     14.18584957      6.11709413    -16.74430043
  H     17.27885256      2.99194708    -14.34331444
  H     16.47422015      4.34735854     -9.76912607
  O     19.95416956      5.73663499    -14.15552168
  H     18.45294678      3.06086884    -15.38010944
  H     16.32197756      7.72910485    -18.39424969
  O     16.67796836      3.38192891    -12.70232366
  H     13.47822480      3.60885751    -11.73911008
  H     15.15312228      6.74017832    -18.20229571
  O     16.57106502      5.30756947     -9.78039372
  H     13.47801790      4.42125732    -10.43091065
  H     13.76673996      6.63851529    -11.75418075
  O     15.87939403      6.97439403    -18.79726714
  H     16.39208752      2.77484478    -16.70238490
  H     13.80746990      5.78088868    -13.04671231
  O     13.78109743      6.69205267    -12.71791433
  H     16.15720119      3.38678274    -18.09929841
  H     16.67378977      9.38709138    -16.61579886
  O     17.17494017      9.18901487    -17.42259789
  H     20.98436855      2.81186953    -15.92342332
  H     17.30277714     10.01935699    -17.87575754
          69
 Energy    -251.13583895257452     
  O     15.36855793      9.76733364     -9.48716561
  H     15.85720104     10.59215315     -9.37398917
  H      9.43796259      5.19509081    -13.75869262
  O     17.60314482     12.12723069    -13.66610891
  H     15.85740862      9.24367608    -10.13792291
  H     10.72425504      8.48593496     -9.72404241
  O     11.17068664     10.71219745    -14.40795020
  H     17.91060842     11.55166443    -12.94252351
  H     11.26340070      9.78333125    -10.34067137
  O     10.48075787      8.50025555    -12.97008271
  H     18.37805227     12.53000057    -14.04794385
  H     14.60778419      5.46223290    -11.21989164
  O     13.40582774     11.81833056    -13.01862450
  H     10.38317619     11.16230134    -14.70390105
  H     13.58825913      6.44976116    -11.83029160
  O     15.39349008     10.71464688    -14.62838638
  H     10.87339516      9.92754081    -13.91618015
  H     10.95692520      6.72881641     -7.93638543
  O     16.78712929     12.16419952     -9.61139492
  H     10.35505848      8.72005371    -12.03173717
  H     11.31396155      6.37999420     -9.39954129
  O     16.82004640      8.18386151    -11.31525004
  H     10.20569570      7.58698621    -13.11299831
  H     16.28165569     12.96679393    -12.53569215
  O     12.57179601      5.33215265    -14.27616861
  H     14.10968168     11.44040334    -13.56640780
  H     14.77855135     12.88471660    -12.20018101
  O     18.26611166     10.60632591    -11.52336256
  H     12.58027106     11.57957499    -13.45696058
  H     13.99936322     10.09746249    -15.73754732
  O     13.15989184      8.17273139    -12.20192821
  H     15.51848144      9.81386508    -14.29534475
  H     12.47389743      9.95774968    -15.59128534
  O     10.07742482      5.75597248    -13.32838224
  H     16.19793887     11.20720174    -14.42632043
  H     16.45538284      5.21409318     -9.42223124
  O     10.49327959      9.19674316    -10.33450308
  H     17.02277225     12.86266420     -9.00720419
  H     15.36632501      6.31604153     -9.40034151
  O     13.81334998      5.50838070    -11.76209942
  H     16.32602271     12.58233506    -10.36096864
  H     10.70591386      5.38465838    -11.52621433
  O     11.42475917      7.05147991     -8.70283307
  H     16.68226978      7.33331668    -10.88018749
  H     12.14322435      5.17282885    -11.02105561
  O     15.63089699     13.17489358    -11.85316840
  H     16.43510573      8.10793296    -12.19990266
  H     13.72866370      7.91886018    -16.05452112
  O     13.23604379      9.59952142    -16.06084540
  H     13.07191684      5.87917641    -14.89305778
  H     14.40200154      6.77326182    -16.84490821
  O     15.98779560      5.83243326     -9.97681024
  H     13.11718047      5.24315085    -13.48247158
  H     13.30650927      7.31150798     -8.58314284
  O     11.22608854      5.25885590    -10.72498431
  H     17.90753282     11.10600507    -10.77932626
  H     14.54604355      8.24851890     -8.69570750
  O     14.11257889      7.02741024    -15.97241674
  H     17.90796298      9.71225548    -11.44661739
  H     14.61214620      8.17141432    -13.19228861
  O     14.27000618      7.33523717     -8.54560575
  H     13.15399173      8.89684782    -11.56406552
  H     15.18633343      7.60389262    -14.50384855
  O     15.42875444      8.09994112    -13.71367479
  H     12.27711271      8.16704014    -12.59145002
  H     13.13720500     11.01852241    -11.39934597
  O     12.95817733     10.46796735    -10.62471811
  H     10.94057901      5.56785090    -13.74114707
  H     13.79278552     10.32972553    -10.15730406
          69
 Energy    -251.13432800950801     
  O     15.95413603      3.69061981    -10.21334397
  H     15.63375755      3.97734202     -9.34978163
  H     18.10620462      8.16015784    -13.87133692
  O     19.05004407      8.73027934    -12.36997670
  H     15.22170076      3.29703806    -10.71389381
  H     12.84419794      6.74511527    -13.18249265
  O     13.66924548      7.96156709    -12.19231353
  H     19.90694563      9.14644932    -12.32209526
  H     12.38974588      6.23085780    -14.58539022
  O     12.62134720      6.67327457    -16.29338374
  H     19.07046190      7.98017897    -11.75022577
  H     16.21594243      6.08394120    -12.21308786
  O     16.66107306     10.19943173    -11.70057927
  H     13.26849216      8.34782193    -11.40529485
  H     15.55392109      5.37178715    -11.02473991
  O     16.74029975      7.00475491     -9.01110822
  H     14.36714306      7.36311759    -11.87976350
  H     17.54426452      3.78305649    -10.94786185
  O     19.01027707      6.63685278    -10.63190682
  H     13.01638846      7.54599931    -16.41492855
  H     18.90241379      3.14676158    -11.32868217
  O     14.81412417      4.93215986    -17.01492127
  H     13.25866278      6.04413651    -16.65271589
  H     13.74839570      9.07439990     -9.49172669
  O     15.02792147      4.98451834     -7.90690777
  H     17.50290127      9.76259623    -11.87682013
  H     12.25814599      9.45350005     -9.30528883
  O     14.06966578      9.13396675    -16.53190707
  H     16.14688846     10.11068256    -12.51062133
  H     12.44115761      5.54000867     -9.94019829
  O     16.19436759      7.26877309    -16.96333110
  H     16.37775910      6.88455622     -9.90341115
  H     12.80209426      6.92239235     -9.33224846
  O     17.48004524      7.77189227    -14.49471752
  H     16.27665269      6.36341552     -8.46070182
  H     14.62136987      8.88173583    -13.40768189
  O     12.48589207      5.97970243    -13.65555134
  H     18.90085810      5.71699918    -10.89734674
  H     15.97128563      8.76196182    -14.19164334
  O     15.63932524      6.23248322    -11.45379031
  H     18.37091326      6.78653584     -9.92229268
  H     15.83290494      9.81201343    -10.13503923
  O     18.36842205      3.92816601    -11.44534677
  H     14.97470200      4.47688155    -17.83698747
  H     15.93691769      8.72297057     -9.04488265
  O     12.83256591      8.78271742     -9.66276099
  H     15.37857816      5.72618729    -17.01935805
  H     11.87760361      5.10256556    -12.25981603
  O     12.88116108      5.96988003     -9.19751568
  H     14.79066455      4.73622542     -7.01794603
  H     10.76980959      4.35564327    -11.48327214
  O     15.19491105      9.32437181    -14.05054260
  H     14.22169926      5.33946901     -8.32579181
  H     17.61067368      4.66878104    -12.99107030
  O     15.40060542      9.46896992     -9.33869015
  H     14.42240097      9.29808852    -15.64024496
  H     16.29268611      4.77630183    -13.84459874
  O     11.68312967      4.62745267    -11.43344513
  H     13.86389343      9.98622292    -16.90683231
  H     14.19884787      3.19804672    -12.75784345
  O     17.11655547      5.22538416    -13.60536845
  H     15.51617515      7.95599777    -16.96442573
  H     13.12557287      3.39734592    -11.66793259
  O     13.94887184      2.93312079    -11.86297613
  H     16.77389381      7.47246174    -16.21790163
  H     13.91587579      4.85394328    -14.03788738
  O     14.61629224      4.24164297    -14.30490352
  H     17.40667397      6.83583290    -14.25306519
  H     14.69014733      4.32705294    -15.26456647
          69
 Energy    -251.13295325466945     
  O     11.26583203     10.20553109    -10.60506223
  H     11.95889190     10.61766627    -11.13727066
  H     15.89692179      5.79287919    -15.86707461
  O     13.24640265      7.46410483    -14.75837551
  H     10.60044081      9.89115514    -11.22955676
  H     13.84712993     12.19254696    -15.11554864
  O     18.07330609      9.42592191    -11.34503706
  H     12.61885972      8.19116000    -14.65108442
  H     14.38827426     13.54071972    -14.57594370
  O     11.68208190      9.64697022    -14.18919325
  H     14.09820144      7.77993282    -14.41243108
  H     15.51661788      8.73449511    -12.86867542
  O     16.39259697      5.50288028    -10.89718787
  H     18.39836703      9.70601764    -12.20861302
  H     16.41329294      7.86251663    -13.80637167
  O     13.01353061      5.79131847    -12.57326015
  H     18.37358458      8.51435548    -11.23715149
  H     11.57878844      8.15624673     -8.19991412
  O     15.33554631      9.49334192    -11.25634446
  H     10.87394468      9.40265707    -13.72223707
  H     11.67512800      8.85738867     -9.57644418
  O     14.91472027      9.65687503    -17.29513802
  H     12.25179153     10.09230697    -13.54442535
  H     18.43256438      6.92648803    -13.15269392
  O     15.20713809      4.09881090    -13.08042076
  H     16.02568091      4.95895343    -11.60479896
  H     18.51399068      8.07533363    -14.18452480
  O     16.41589010     10.67812368    -15.04570024
  H     15.66472261      6.04606094    -10.56796393
  H     10.98699922      6.99372692    -10.48756774
  O     14.67609041      6.76574159    -16.97279744
  H     13.67190592      5.10177808    -12.72187819
  H     11.38032849      6.23104069    -11.77019935
  O     16.39495203      5.32534758    -15.18599828
  H     13.01193124      6.33896610    -13.37150060
  H     18.05729822     10.30379501    -14.48908196
  O     14.43089203     12.59742924    -14.44621640
  H     14.99599535      8.68974294    -10.83808282
  H     19.59606894     10.44591383    -14.45957522
  O     15.59776483      8.37603300    -13.76307747
  H     16.29699344      9.53240638    -11.14442279
  H     17.92629731      6.21680753    -11.13520968
  O     11.86087882      8.02724857     -9.10114250
  H     15.58447050      9.98904512    -16.68520223
  H     19.45455001      6.19562944    -10.88655732
  O     18.14927108      7.19340586    -14.03806710
  H     14.95177327      8.69564471    -17.24313010
  H     13.49721194     10.66321956    -16.67825955
  O     10.64016137      6.66615229    -11.32654733
  H     15.25393166      3.15604450    -13.21600268
  H     12.33472506     10.67414602    -15.64564528
  O     18.87182124      9.93708939    -14.10456603
  H     15.62582445      4.51422549    -13.85544587
  H     13.43828682      7.40606057     -9.82360494
  O     18.76702142      6.65739048    -11.35794134
  H     16.03505975      9.89101998    -14.62553437
  H     13.76106989      6.71267891    -11.17019441
  O     12.89453041     11.24266750    -16.18920438
  H     15.83546972     11.41711459    -14.82576160
  H     14.05529457     10.54119173    -11.93441109
  O     14.16528638      7.13505199    -10.39811138
  H     14.04727214      6.95797412    -16.25538533
  H     13.71569722     11.65384180    -12.96765425
  O     13.32508487     11.00766295    -12.36782582
  H     14.17337275      6.36220297    -17.67694242
  H      9.90378301      8.02948047    -12.13336970
  O      9.58031966      8.86628950    -12.51302896
  H     17.11672339      5.90949742    -14.91824831
  H      8.63249308      8.79149531    -12.58007883
          69
 Energy    -251.13118743273481     
  O     17.35293484      8.24191646    -14.14941861
  H     16.56302874      8.80562533    -14.13105684
  H     18.18994291     11.75576016    -15.53605624
  O     17.09131416     11.27916387    -11.07046338
  H     18.05101113      8.75528288    -13.72549908
  H     13.32925468     12.14863160    -14.74775243
  O     15.20512417     12.50841221    -14.78909792
  H     16.17155009     10.97529713    -11.09961427
  H     12.56996363     10.88412413    -15.19137698
  O     12.23103807      6.76356125    -14.77301679
  H     17.46567998     10.93037638    -10.25155646
  H     15.23395938     10.77363298    -14.20894052
  O     16.53517183      7.66165269     -8.91799186
  H     15.79233729     12.91346141    -14.13818652
  H     14.93630904      9.91650397    -12.95465550
  O     16.32194182      6.30959101    -12.43558323
  H     15.73127289     12.33416296    -15.58206997
  H     11.93835982      8.84247552    -12.23573800
  O     14.53792100     10.27496263    -11.21293564
  H     11.62882312      6.09838493    -15.09512844
  H     12.07242833      7.52814524    -13.04594943
  O     15.53874120      9.30758676    -17.34942760
  H     13.11524036      6.35425376    -14.74903017
  H     19.60145038      8.87303559    -11.46714190
  O     18.30220162      5.99965867    -10.46304376
  H     17.10093166      6.98993494     -9.31818421
  H     19.26422905      8.90648852     -9.96817584
  O     16.82825813     11.64846611    -16.90146404
  H     15.70284250      7.62501973     -9.40798123
  H     15.35911636      6.05173339    -15.39493438
  O     16.75803066      6.89031491    -16.43551565
  H     16.99316601      6.06175934    -11.78783718
  H     15.22980292      5.78635166    -13.88121247
  O     18.76146216     11.91026524    -14.77430446
  H     16.72794670      6.97990695    -13.00426475
  H     17.12168457     12.67575430    -12.18822262
  O     12.47935045     11.69573000    -14.67291306
  H     13.63316109     10.54566545    -11.41534669
  H     17.29578735     14.18649800    -12.45901909
  O     15.19200510      9.86438102    -13.88356192
  H     14.51319877      9.33974500    -10.95944554
  H     18.31056825     10.40070839    -12.21533547
  O     12.10252070      7.89586675    -12.15431383
  H     14.65629738      9.26795744    -16.95688597
  H     19.07345172     10.63272230    -13.53909759
  O     19.64922905      8.34954605    -10.65593301
  H     15.94727441      8.45313528    -17.16795645
  H     17.45522868      9.13254131     -8.80810168
  O     14.74059454      5.76234656    -14.71396269
  H     18.88745127      5.30052021    -10.18465415
  H     18.23594382     10.13425576     -7.92442566
  O     17.11013152     13.35322891    -12.88489614
  H     18.84978253      6.79767626    -10.57500739
  H     12.78281968      8.37572817    -15.51804124
  O     18.97617987     10.01386609    -12.80061617
  H     17.00062353     12.04787383    -17.75043480
  H     13.89858563      9.33544646    -15.04610474
  O     18.05250931      9.90275652     -8.83084706
  H     16.39805951     10.79380479    -17.08156097
  H     13.56385831      7.56063408    -11.18769558
  O     13.23442021      9.19858924    -15.74010321
  H     17.09184622      7.35776618    -15.64944228
  H     15.03998064      7.09829379    -11.38116976
  O     14.44272154      7.56351714    -10.77924087
  H     17.49565218      6.41068401    -16.80433595
  H     11.18415523     11.23944923    -11.81316565
  O     11.95027558     10.79225131    -12.16314549
  H     18.28081524     12.52334881    -14.20437519
  H     12.09863105     11.14964447    -13.05593935
          69
 Energy    -251.12896739270752     
  O     14.05041728     13.55953012    -13.97324107
  H     14.70116260     12.83990261    -13.94842561
  H     14.17064387     10.64857767    -14.61441478
  O     15.51552463      9.28435255    -18.07772851
  H     13.51989534     13.41315237    -14.76581089
  H     15.90328075     12.51550698    -17.38550134
  O     15.26784139      8.55049303    -11.91286409
  H     15.45860188      8.84724783    -18.92408134
  H     15.28049139     11.15153956    -17.79954939
  O     17.66276463     14.08753454    -12.18638289
  H     14.91087406      8.81358866    -17.47957604
  H     13.59200994     12.53564322    -16.87164747
  O     13.99646655      8.07648474    -16.13485268
  H     15.90316448      9.20582334    -11.59572725
  H     12.15611368     13.11113248    -16.98000239
  O     14.05322492      6.10214618    -11.35202556
  H     14.41632206      9.00141947    -11.99964118
  H     20.13465445     11.51673549    -12.54912678
  O     14.88938393      4.86972294    -13.62232122
  H     18.26953302     13.34309197    -12.27337930
  H     18.93814423     11.54995463    -13.52999834
  O     15.70160531     11.28365656    -13.93188969
  H     17.02225576     13.82899804    -11.51307382
  H     13.13100537     11.53184492    -11.63701581
  O     12.75709308      9.75368338    -12.27455902
  H     13.62422114      8.88450833    -15.74904164
  H     13.48187506     12.89211203    -12.29923377
  O     16.00672811      7.37071575    -14.33917492
  H     14.70794316      7.79883717    -15.53801112
  H     16.97558384      9.01104445    -16.86573606
  O     18.25892798     11.33535457    -15.12578236
  H     13.14459663      6.39002082    -11.50159887
  H     17.15495329      8.32863594    -15.49093155
  O     13.27894296     10.39938049    -14.90752552
  H     14.58270665      6.91233206    -11.38239810
  H     12.88471082      6.77148135    -15.29250174
  O     15.07477949     12.07444651    -17.60926309
  H     15.17303026      3.96993510    -13.48747170
  H     13.27424387      5.58646453    -14.39419513
  O     12.77819730     12.72788589    -16.36882690
  H     14.62071981      5.21502947    -12.75126153
  H     15.65216758     13.36319596     -9.37302035
  O     19.19575004     11.67395881    -12.59939807
  H     16.52109317     11.32620221    -14.43823414
  H     14.91632605     12.83382135    -10.62646176
  O     13.45423473     12.42221742    -11.45467261
  H     15.96064132     11.07613443    -13.02631307
  H     16.99035483     14.60698438    -13.78844449
  O     17.58805730      8.91325011    -16.12715064
  H     12.80525694      9.97427606    -13.21671099
  H     15.59663399     14.57599512    -14.43514083
  O     12.53046775      6.14848112    -14.64591572
  H     12.24157975      8.93995175    -12.20860216
  H     16.53482664     11.45323426    -10.86756700
  O     15.79623765     13.00501508    -10.24454736
  H     15.80739292      7.84272208    -13.51777714
  H     17.74053846     10.94782381    -11.71024502
  O     16.52655254     14.74469060    -14.62758505
  H     15.78720705      6.44499513    -14.17614568
  H     10.66841205      6.89024660    -12.17014205
  O     16.86517056     10.70462325    -11.38259656
  H     18.11972288     10.46414131    -15.52991127
  H     11.83812182      6.83497960    -13.17998026
  O     11.56047706      7.19321289    -12.31800727
  H     18.09190267     12.02157095    -15.78334917
  H     17.92304725     14.02311235    -17.34241256
  O     17.43510693     13.42642629    -16.78156974
  H     12.93516013     11.14704764    -15.41045646
  H     17.11654980     13.95064215    -16.02234864
          69
 Energy    -251.12857493368517     
  O     19.14430119      9.09046570     -8.58166381
  H     19.37300060      8.44452664     -9.26997950
  H     19.11476590      8.12814425     -7.06456539
  O     17.85846807      5.39169531     -9.76705590
  H     18.21282143      9.30339083     -8.72399952
  H     20.85822153      9.72825699     -9.11359901
  O     18.96515330      4.89436739    -13.14053777
  H     18.51777995      6.04450705    -10.04833576
  H     22.20340328      9.00150167     -9.32071522
  O     19.80875123      7.14028304    -14.71889462
  H     17.27489021      5.27529451    -10.52599522
  H     19.10306029      8.40541706    -13.57047999
  O     23.01174553      7.32707058     -8.84523729
  H     18.04959340      5.04262045    -12.87384213
  H     19.61301811      9.55996782    -12.65664087
  O     16.37373715      5.56137327    -12.10905176
  H     19.20777849      5.62661605    -13.71983034
  H     20.26383426      4.19119030    -12.20113132
  O     22.10092151      7.99297025    -13.57739816
  H     19.85261121      7.13670409    -15.67133616
  H     21.32889082      3.07216708    -12.15340543
  O     21.17288341      5.97234796     -7.46055362
  H     20.69161653      7.39648790    -14.39423572
  H     13.52604699      7.16658122    -11.62515200
  O     14.01373541      6.34477532     -8.56616000
  H     22.36238143      6.84398260     -8.30041922
  H     14.54009274      8.28721092    -11.90847749
  O     22.14973643      6.38933284    -11.33082441
  H     23.84947583      7.26504945     -8.39473245
  H     16.46300127      8.14440488     -8.55278136
  O     19.59864482      7.34265723    -10.65616498
  H     16.41721911      6.52789476    -12.05584092
  H     15.45148500      9.21486404     -9.01645190
  O     19.01102298      7.49998331     -6.32942864
  H     15.47000089      5.32723572    -11.86354074
  H     16.46287563      8.56575158    -10.85165544
  O     21.70152676      9.78363721     -9.58141722
  H     21.94353927      8.86055604    -13.18612103
  H     17.17954536      8.70393096    -12.22724112
  O     18.85835641      8.98363479    -12.83498782
  H     22.24131214      7.39383390    -12.82900349
  H     21.50549876     11.26419566    -12.35099319
  O     21.03040539      3.85675676    -11.70110650
  H     20.43448150      6.36864709     -6.98780918
  H     21.43219545     10.16339705    -11.27081920
  O     13.60954560      8.12531320    -11.69612866
  H     20.82750501      5.19963484     -7.93270259
  H     17.06457333      6.06296606     -8.35076979
  O     16.38660243      8.97739762     -9.04191074
  H     14.86287318      6.32184621     -8.10552787
  H     17.36905681      6.78228993     -7.01413862
  O     16.39784069      8.34218629    -11.79015300
  H     13.77274593      7.27689135     -8.62927594
  H     13.49716271      8.84498900    -10.09796833
  O     21.23858882     10.36051118    -12.20410416
  H     21.90883787      5.45460067    -11.37530618
  H     12.85152377      9.73530390     -9.00904496
  O     16.65852023      6.57058577     -7.62947048
  H     22.56193985      6.58122588    -10.47885375
  H     19.22570918      4.28234173     -9.17296875
  O     13.57426744      9.13566796     -9.17122764
  H     19.28616768      7.84686376    -11.41717700
  H     20.49321803      3.78259498     -9.86403186
  O     20.11093105      3.93734310     -8.99248746
  H     20.48365161      7.02464491    -10.87291493
  H     13.08967938      4.63256649    -11.07946514
  O     13.76010432      5.31051710    -11.07622562
  H     19.13435311      7.99637304     -5.52381278
  H     13.85285230      5.60607563    -10.15272989
          69
 Energy    -251.12497516997621     
  O     17.54668397      4.83466166     -9.68677852
  H     16.64003082      4.55349521     -9.87187920
  H     16.98430716      7.68267251    -15.45847216
  O     18.32365962      8.80964973    -14.82816299
  H     17.46263203      5.57242755     -9.07131081
  H     11.60840613      5.85919425    -13.03715148
  O     13.35919249      8.30207036    -12.35164947
  H     18.67640906      8.38540387    -14.02556963
  H     12.90444251      5.23865463    -12.48302382
  O     11.08458988      5.79505695    -14.74390101
  H     19.06912658      9.19053439    -15.28490877
  H     14.92817819      7.48832513    -11.91136620
  O     16.21584873     10.49428343    -13.81564608
  H     13.27545539      8.84489142    -11.55735387
  H     15.40415357      6.25002986    -11.08517744
  O     17.66059738      8.45500544    -10.40512726
  H     12.82575202      7.50184859    -12.25474265
  H     19.70389450      4.19336233    -11.90653376
  O     19.23605521      7.63838850    -12.55993370
  H     11.57996619      5.02918955    -15.06078140
  H     18.52299548      4.82966354    -11.13905715
  O     12.95421797      3.74910013    -15.56854433
  H     11.33412774      6.52318558    -15.32655500
  H     14.44554299     10.17328233    -10.38806882
  O     16.94370777      7.09705379     -8.02942531
  H     16.98094588     10.00501756    -14.14090759
  H     13.11870293     10.60543861     -9.71432055
  O     12.15249332      7.81845205    -16.47917820
  H     15.45575689     10.11396933    -14.27068751
  H     13.60721280      6.89123755     -8.79624524
  O     14.11838092      5.78458724    -16.91757157
  H     17.60199906      8.11662510     -9.50488391
  H     14.06235426      8.34723610     -9.01622043
  O     16.24617060      7.06762101    -15.55781755
  H     16.99156103      7.95647032    -10.90277247
  H     13.85112835      8.67693039    -14.01130875
  O     12.15744566      5.80435665    -12.24098370
  H     18.83927414      8.02243373    -11.76586860
  H     14.86383149      8.20200508    -15.10609904
  O     15.70025087      6.96565144    -11.66177907
  H     19.25643594      6.68706877    -12.40633595
  H     16.64993959      9.99573581    -10.75937703
  O     18.99656032      4.82691474    -11.99041211
  H     12.80771626      3.00823905    -16.15041997
  H     16.03531628     10.64913790    -12.01804053
  O     13.59087656      9.84694161    -10.04559466
  H     13.42237076      4.42728108    -16.08904792
  H     12.18234681      5.67521451    -10.45866126
  O     14.29574800      7.52490409     -8.56652259
  H     15.99318127      7.23689293     -8.18755046
  H     11.63194240      5.19799566     -9.09583318
  O     14.14721385      8.82663675    -14.92236050
  H     17.08542706      7.22403846     -7.09512216
  H     17.52618784      4.94911925    -13.16432074
  O     15.94762187     10.58802100    -11.05558107
  H     11.76011635      8.47335777    -17.05047503
  H     16.38166729      5.94695274    -12.92244866
  O     12.40056901      5.57531705     -9.51651899
  H     12.81886049      8.27973320    -15.94063282
  H     14.63533920      4.15203419    -11.27772123
  O     16.68521865      5.24923315    -13.52743256
  H     14.92485387      6.20309394    -16.58958776
  H     14.04283252      4.73059596     -9.96377533
  O     14.86844297      4.50399224    -10.40725424
  H     13.44240632      6.47403712    -16.92524193
  H     13.77255582      3.82965336    -13.91179829
  O     14.21234554      4.06853918    -13.08609831
  H     16.42107247      6.34925359    -14.93327365
  H     15.08997614      4.39966374    -13.32698851
          69
 Energy    -251.12142590342529     
  O     -2.81066853      0.33565995      3.29908260
  H     -2.59334460      1.27047780      3.40525622
  H     -4.60735363     -4.18582483      2.35240835
  O     -0.55774177      3.13382436     -0.18802173
  H     -2.18729217      0.00023709      2.63916916
  H     -5.11568993      2.19762322     -1.18851291
  O     -1.02274639     -0.20997208      1.25680941
  H     -1.30471546      3.69077239      0.07130024
  H     -4.62625765      1.81253405      0.23183844
  O     -5.62151300     -0.86914783     -1.98391966
  H     -0.94026445      2.39598217     -0.68113730
  H     -7.70737423      3.53501247      1.28012516
  O     -2.86823562     -1.58635984     -2.18406642
  H     -1.38194327      0.17691257      0.44364051
  H     -8.32125023      4.77709633      1.96386949
  O     -4.98463616      0.93804568      1.71062969
  H     -0.38019529      0.42699708      1.59080317
  H     -3.87883671      4.30330629      5.50837733
  O     -6.29591028      2.47023843      3.66992960
  H     -4.70385027     -1.11589166     -2.14741864
  H     -3.31886784      3.68656693      4.20739645
  O     -8.49271978     -0.43193548      1.51461129
  H     -5.81543362     -1.15499731     -1.08028575
  H     -3.61243175      4.79781162      1.23310649
  O     -2.02897220      3.03317745      3.15038428
  H     -2.71244910     -1.99232152     -1.31158950
  H     -3.48376227      3.60685754      0.25358719
  O     -6.63670241      1.62269915     -2.11002011
  H     -2.45609852     -2.15543993     -2.82861867
  H     -4.72692265      5.14468735      3.13695350
  O     -6.06581867     -1.40795774      0.71984480
  H     -4.21109187      0.65988544      2.21861724
  H     -5.81684840      5.13419053      2.05051848
  O     -4.47966984     -3.28542382      2.06706375
  H     -5.53562829      1.44699477      2.31858610
  H     -5.56391399     -1.13054040      4.18265987
  O     -4.37404353      2.28107879     -0.57983775
  H     -5.57650532      2.95426775      4.09380354
  H     -4.02989053     -0.91850371      4.03614503
  O     -7.52057006      4.26275098      1.90025499
  H     -6.79947129      3.11227916      3.15250318
  H      0.18239934      2.51283234      1.25579795
  O     -4.12807357      4.01299830      4.63440743
  H     -9.22888774     -1.01737010      1.35366923
  H      1.36362540      2.29345095      2.23375410
  O     -2.97077108      4.20884085      0.81146841
  H     -7.69730796     -0.88769959      1.19048294
  H     -7.69644465     -0.29171204      3.32266444
  O     -4.93945143      5.47979594      2.25792326
  H     -2.36681077      3.41704977      2.32599496
  H     -6.91938639      0.76315848      4.11824139
  O     -4.71469758     -1.59255648      4.12757187
  H     -1.11825509      2.77124234      2.97065315
  H     -1.81321260     -1.87280312      0.75389161
  O      0.43971882      2.10006309      2.10148261
  H     -6.92829905      1.83408857     -2.99251522
  H     -3.04238843     -2.80387208      0.94237239
  O     -7.13660311     -0.17873555      4.09840885
  H     -6.30151904      0.70758797     -2.13377855
  H     -2.86976237      1.36838349     -0.98607078
  O     -2.37523830     -2.51816611      0.30678195
  H     -5.67276822     -0.59296178      1.07027225
  H     -2.25186911      0.09528519     -1.61356284
  O     -2.03703457      0.89035439     -1.11163767
  H     -5.59116339     -2.14327975      1.12543065
  H     -8.24703220      1.28120899      0.72553849
  O     -8.02894199      2.13234863      0.32711231
  H     -4.54833190     -2.72551687      2.86295997
  H     -7.61349542      1.94720337     -0.52358076
          69
 Ord_Energy   -249.498260    
 O   0.553924203       5.46789026      -7.50760365    
 H   0.454960048       5.95906782      -6.67135286    
 H   0.457121402       6.09829187      -8.21608734    
 O   -3.05990434     -0.480400950      -5.32790184    
 H   -2.62567878     -0.200172856      -4.51173019    
 H   -3.73227334      0.189918056      -5.50322485    
 O    3.33101392       1.55801189      -6.77935648    
 H    3.28029156       2.52223206      -6.74812126    
 H    2.46725202       1.25392282      -7.08125925    
 O  -0.176141545       1.68702972      -1.10457706    
 H    8.34439043E-03   2.62004995     -0.947398365    
 H   0.660149038       1.22212791     -0.985610545    
 O   -1.75190771     -0.758897483      -7.70503569    
 H   -2.18507671     -0.727655053      -6.83285856    
 H   -1.91991115      -1.62636518      -8.06335258    
 O   0.278913885       4.54282570     -0.894330859    
 H  -0.126557350       4.64644289      -1.77299368    
 H  -0.233692661       5.07652998     -0.291686267    
 O    4.42051172      0.826423824      -4.31798983    
 H    3.95883965       2.63724495E-02  -4.04806709    
 H    4.10396814       1.03601766      -5.20966768    
 O   0.715086520      0.413869798      -4.41747332    
 H    1.06301975       1.31581783      -4.34289980    
 H  -0.164675817      0.433362663      -4.01797438    
 O   -4.67092037       1.79418969      -6.03950882    
 H   -4.19420624       1.80474889      -6.88936377    
 H   -5.59068203       1.94825506      -6.23569775    
 O    2.36694980      0.337076306     -0.919293702    
 H    2.68358135     -0.133643836     -0.151655436    
 H    2.45674896     -0.266788572      -1.67401683    
 O    2.56440496      -1.17737424      -3.24668312    
 H    2.50239944      -2.07966471      -3.54851508    
 H    1.87974906     -0.672713757      -3.72182846    
 O    2.82584882       4.31094790      -6.28746367    
 H    3.09825945       4.99882412      -5.66525126    
 H    2.12441325       4.69327354      -6.83044338    
 O    1.54230022       3.01391315      -4.16670561    
 H    1.97275138       3.38506722      -4.94734383    
 H    2.22059798       2.90504479      -3.48634481    
 O  -0.596806467       4.59548140      -3.47097731    
 H   -1.38834250       4.18035221      -3.83642650    
 H   0.151192293       4.02712202      -3.71857214    
 O   -2.47788620       3.06832361      -4.78938389    
 H   -3.33535218       2.75363994      -5.09820747    
 H   -1.90108931       3.08861613      -5.56904745    
 O    2.92166638       5.13026524      -1.88714552    
 H    3.31687379       4.24816084      -1.94430494    
 H    2.06723356       5.00485182      -1.45863771    
 O    3.58379054       2.48260665      -2.32884812    
 H    3.22150493       1.83281279      -1.71575224    
 H    4.02495861       1.98007739      -3.03272486    
 O   -1.72124994      0.843716025      -3.23004079    
 H   -1.98796046       1.64819574      -3.69674516    
 H   -1.27646160       1.11906636      -2.41426539    
 O   -3.06276512       1.73756182      -8.23221874    
 H   -2.66798425      0.856568336      -8.23867226    
 H   -2.34584475       2.33310199      -7.97287226    
 O   0.581875265      0.741933346      -7.15110302    
 H   0.647816181      0.544313192      -6.20432377    
 H  -0.124021538      0.174573824      -7.48516035    
 O  -0.897730350       3.10454488      -7.06908512    
 H  -0.408219278       3.90628910      -7.28549767    
 H  -0.292269111       2.35194468      -7.12577915    
 O    3.20956993       6.31311083      -4.31134701    
 H    3.11340427       5.91196203      -3.42933273    
 H    3.89733458       6.96944857      -4.23616028    
 O   0.477807909       6.63842821      -5.07655764    
 H    1.05797797E-02   6.04486418      -4.47310400    
 H    1.39439726       6.65862036      -4.77296352    
          69
 Energy    -251.11687768692116     
  O     13.40552403      6.22822676    -16.37655150
  H     14.15368679      5.62574499    -16.46586143
  H     18.73213547      8.99856924    -11.39101390
  O     16.97413504      6.36817205    -12.36653716
  H     13.78588531      7.09687303    -16.18735159
  H     16.18960317     12.26317351    -12.81370513
  O     14.95122488      9.11735883     -9.02801564
  H     16.99987977      6.41284402    -13.33193187
  H     14.70568749     12.07418337    -13.18834275
  O     15.64558076      4.42471686    -16.13569847
  H     16.48819850      7.15604305    -12.07214891
  H     15.52261337      8.85158639    -10.71284122
  O     13.09195396      7.11277147     -9.35157521
  H     15.69436757      8.59615805     -8.68991870
  H     16.64429196      9.20119280    -11.74355570
  O     14.84234986      4.80836210    -11.60763412
  H     14.18765943      8.52229779     -9.07164801
  H     10.96841596      4.96353362    -14.77444445
  O     13.53318093      9.07065182    -13.04159372
  H     15.16424296      4.04143938    -15.38055534
  H     12.32890733      5.59382365    -15.15810215
  O     18.93573390      7.23532183    -10.65412321
  H     15.90314922      3.69745160    -16.69560944
  H     17.67111958      7.26695863     -9.14545395
  O     15.14746255      5.10620532     -8.89679624
  H     13.68595442      6.39818071     -9.09125599
  H     16.43408069      6.50608862     -8.60699118
  O     16.32706820     10.82455210    -15.77640080
  H     12.81647157      6.91495376    -10.25525834
  H     13.29001156      3.94374660    -14.15873636
  O     16.81841299      6.74864405    -15.08516600
  H     15.65420910      5.25411086    -11.89074793
  H     14.44790022      3.80033574    -13.15830183
  O     18.40144555      9.76481760    -11.87377575
  H     14.11141874      5.42126053    -11.78082982
  H     17.93580799     12.83443185    -10.97757271
  O     15.58925930     12.17132507    -13.56314547
  H     13.21529089      9.95166577    -12.81226822
  H     17.78075950     11.36689330    -11.43375515
  O     15.81499087      8.72267214    -11.62586398
  H     14.37786889      8.96412090    -12.57361342
  H     15.62255354     11.89133855    -10.33448702
  O     11.83380898      5.17161670    -14.43287870
  H     18.33305188      6.80642732    -11.28539312
  H     14.77438662     10.85271519     -9.56141459
  O     16.95642195      7.31215648     -8.50127015
  H     19.73033715      6.70755943    -10.63020913
  H     15.20568320      9.33980192    -15.71025860
  O     14.15757315      3.53670666    -14.04078306
  H     15.05701060      4.88230516     -9.83783435
  H     14.22259083      8.73984843    -14.67220130
  O     17.29310758     12.19014468    -11.26417886
  H     15.02628960      4.29513142     -8.40898409
  H     12.92893415      7.44690595    -12.46995471
  O     14.72504190     11.68957618    -10.04557748
  H     16.45248938     11.44540944    -16.48887129
  H     12.30687051      6.08783963    -12.87659386
  O     14.70647353      8.54453304    -15.48761858
  H     16.05479266     11.34144375    -14.99636894
  H     13.62414866     11.71331267    -11.37923486
  O     12.73334788      6.55579062    -12.14779421
  H     16.55372626      5.92140241    -15.50584291
  H     12.36853629     12.29549579    -12.07168173
  O     13.11057882     11.71329869    -12.20833282
  H     16.07664246      7.36062461    -15.20303605
  H     17.95955757      8.26697332    -14.77393375
  O     18.26685449      9.14689332    -14.52418998
  H     18.45214763      9.56339331    -12.82301535
  H     17.69809591      9.76427458    -15.00158338
          69
 Energy    -251.11437544957408     
  O     10.76634935      9.14178187    -13.18440146
  H     11.28399744      8.47917308    -12.69110289
  H     19.01021795     10.94793469    -14.30983972
  O     17.13292959      7.95437588    -14.15693002
  H      9.84828008      8.90894999    -13.07967196
  H     13.58697040     12.52310382    -15.40724470
  O     17.16289506     11.65900555    -11.64021029
  H     17.16160892      7.75198361    -15.09831986
  H     12.14926221     12.85750264    -15.85768248
  O     15.26424457     12.94781802    -15.56678611
  H     16.36746000      8.54390149    -14.04645400
  H     14.21569130      9.52594820    -14.41587699
  O     14.08968318      7.12565938    -16.00138268
  H     17.22379120     12.40444493    -12.24874213
  H     14.92058008     10.17900275    -13.19360300
  O     16.27176073      8.52742256     -8.32603362
  H     16.22160900     11.44377718    -11.55311795
  H     12.99890694      7.68039132    -11.32884717
  O     16.13821772      6.46853955    -12.07856792
  H     15.71699806     12.22906383    -16.02826773
  H     12.78803890      6.71839821    -12.51439921
  O     14.56419178     10.84740569    -11.55095177
  H     15.88168506     13.25448433    -14.89291812
  H     19.59615823      8.99934205    -11.42697459
  O     17.83662953      6.72987780     -9.95310013
  H     14.02782057      6.60120471    -15.19397845
  H     20.84121968      8.60041180    -10.60151345
  O     16.52221955     10.54243694    -16.26594887
  H     13.48019272      7.86770887    -15.89233253
  H     13.88378633      4.68438966    -13.52167604
  O     16.56507266      7.75645029    -16.92367250
  H     16.16889164      8.61528611     -7.38256728
  H     14.75858241      5.84284295    -12.99571461
  O     18.79868993     11.61014444    -14.97926919
  H     16.86139295      9.24788412     -8.61360808
  H     17.84475512     14.40897663    -13.72231811
  O     12.66006786     12.23152101    -15.35090828
  H     16.76630497      6.41689335    -11.34323868
  H     17.97070054     12.94350409    -14.20416955
  O     15.07752274      9.72433433    -14.02953822
  H     16.58694555      6.91644243    -12.80999843
  H     18.28072236      9.07153756    -13.30775035
  O     12.33310317      7.35286885    -11.94781792
  H     14.47911476      9.97846685    -11.13495825
  H     18.19316393     10.36377514    -12.42694310
  O     19.88866904      8.63457304    -10.57395799
  H     13.68360832     11.16579946    -11.79817257
  H     17.74681490     10.94368999    -10.00374052
  O     13.97488200      5.63457376    -13.53257538
  H     18.60243943      7.28297819    -10.15242868
  H     18.75518117      9.84555810     -9.60669091
  O     17.39599829     13.56728845    -13.72397641
  H     17.33190681      7.21499766     -9.28885650
  H     15.11958433      7.68627691    -11.09418121
  O     18.80530380      9.72818211    -12.82857041
  H     16.02421069     10.37290907    -15.45050783
  H     15.04775507      8.34083528     -9.69370361
  O     18.01677003     10.37081354     -9.27392829
  H     16.59266095      9.68384590    -16.69712895
  H     12.29894139     11.91128280    -13.48834977
  O     14.57922151      8.26095911    -10.53446345
  H     16.77723552      7.23241462    -17.69082336
  H     11.58408491     10.79789609    -12.70572071
  O     12.14639606     11.57495493    -12.59645685
  H     15.66175653      7.50717781    -16.65468356
  H     11.90358738      9.25461936    -14.64018480
  O     12.59193202      9.40836835    -15.30130470
  H     18.11649968     11.21322078    -15.53848629
  H     12.59250484     10.35974399    -15.47215286
          69
 Energy    -251.11310994375188     
  O      9.60947566     12.04478682    -11.30499114
  H      9.83190230     11.74292988    -12.19384674
  H      8.54682913     10.17433121     -9.02262725
  O     14.23480152      7.52175874    -15.74523152
  H     10.03227686     12.90115893    -11.16866806
  H     12.88941594     12.14960841    -12.41378755
  O     11.78157186      9.17626138    -10.06983385
  H     13.26926245      7.43682270    -15.64658912
  H     11.92024779     12.05888052    -13.60664327
  O     14.63164457      9.04163774    -13.40348922
  H     14.53775219      6.73349084    -16.18691783
  H     15.44504537      9.69745248    -11.84958180
  O     12.62769501     13.26005963     -8.76092628
  H     10.91127200      9.46693654     -9.76662804
  H     16.27200206     10.99184924    -11.64832012
  O     13.68788882     10.21516116    -16.63572363
  H     12.24560589      9.97422242    -10.37490199
  H     12.38948285     14.97245551    -11.52444713
  O     11.91343750      8.67341069    -12.79125709
  H     14.74418246      9.91435016    -13.80974894
  H     13.04656360     14.21176212    -12.66922666
  O     13.29725787      9.08184461     -7.76952569
  H     14.64299556      8.40684220    -14.13052184
  H     16.48205660     13.07665168    -12.09635186
  O     13.19454066     11.41073019    -10.81311999
  H     13.53329358     13.43116848     -8.47556446
  H     17.81997293     12.71180897    -12.78638373
  O     11.46865137     11.27072396     -7.30322384
  H     12.22844458     12.61884946     -8.15269683
  H     10.50774131     10.73806499    -14.72807922
  O     15.63654920     14.09679021    -11.03395604
  H     14.20843224     10.77816898    -16.04755119
  H     10.95176433     10.12769910    -13.38462511
  O      9.45634773     10.42010920     -9.16646812
  H     13.98305510      9.31249694    -16.46562731
  H     15.90690407     13.75534949     -7.54335837
  O     12.72884635     12.49095188    -13.30729227
  H     12.85483496      8.82896822    -12.95321571
  H     15.48016145     12.44976842     -8.25820570
  O     15.76784277     10.31370434    -11.17862843
  H     11.79631013      8.65026209    -11.83393010
  H     14.17960632     11.98214043    -14.17045341
  O     13.19718451     14.93860627    -12.04905552
  H     12.79962162      8.98176826     -8.59806939
  H     15.72309394     11.91660359    -14.02961308
  O     16.92411957     12.41284025    -12.65897937
  H     13.34090710      8.21657481     -7.36946874
  H     10.58840596     10.42811961    -17.30749896
  O     10.51271266     10.89763303    -13.77604139
  H     14.12161204     11.14062764    -10.83707646
  H     11.93269434     10.26461711    -16.56233828
  O     15.35745975     13.41636264     -8.24474118
  H     13.07822318     12.07060630    -10.11804983
  H     15.77028254     10.46136964     -9.32848315
  O     14.97905441     11.57072993    -14.53595826
  H     12.08002278     10.52441726     -7.29390471
  H     14.83298115     10.15442046     -8.13808266
  O     10.96672841     10.18263688    -16.46742007
  H     10.71348005     10.99452970     -7.83897946
  H     10.34921228     15.14187345     -9.97990155
  O     15.55941986     10.72217218     -8.42134525
  H     15.55898918     13.95608436    -10.08502737
  H     11.47534205     14.10061974     -9.78865005
  O     10.86518797     14.48541018    -10.44202250
  H     14.80125712     14.47884829    -11.34177480
  H     11.20436687      8.36672780    -15.80124520
  O     11.54443739      7.58798415    -15.34389913
  H      9.46579998     11.02615701     -9.93056003
  H     11.53793163      7.81875780    -14.40378018
          69
 Energy    -251.11293103437598     
  O     -4.10683924      3.28789452     -2.32544408
  H     -4.64485012      3.78137142     -1.69519828
  H     -0.35930866      1.16201508      2.87612155
  O     -6.73872788      2.59508769      1.27406011
  H     -4.56308730      2.44653631     -2.45606681
  H     -3.18146501      2.15959474      0.93020801
  O     -3.61459137     -3.03312594      1.25546305
  H     -6.55681462      3.33149881      0.67564693
  H     -1.97786545      2.19263885      1.89790266
  O     -1.36519938     -0.10112989     -1.54340919
  H     -6.41921003      2.85370938      2.15025258
  H      0.33313852     -1.25867880      1.19082389
  O     -4.87061739     -2.66781093     -1.10197152
  H     -3.60976806     -3.95703512      1.48984455
  H      1.42385680     -0.24502484      1.57897916
  O     -3.29174346     -1.30160825     -3.03023880
  H     -4.07819259     -2.95833693      0.40156395
  H      2.01262856      2.12310892      2.56270997
  O     -1.59119471      2.64553595     -1.36198750
  H     -1.48437774      0.85976734     -1.50912342
  H      1.22478643      1.90624697      1.25094017
  O     -1.53924631     -1.13774830      1.09651061
  H     -0.41831704     -0.26689950     -1.63978833
  H     -4.55666798      0.02117388     -2.67148304
  O      1.41622379     -0.41883910     -1.52485372
  H     -5.70726465     -2.18890552     -1.14538951
  H     -5.96651536      0.15868968     -2.04749291
  O     -7.53527852     -0.11593545      1.22881878
  H     -4.31828236     -2.30623944     -1.80609216
  H     -4.32905692      0.36478158      3.59585970
  O     -5.00631730     -0.80750412      2.30718670
  H     -2.94182538     -1.53175192     -3.88687126
  H     -2.98281559      1.07199826      3.85279225
  O     -1.28137601      0.90032606      2.99224349
  H     -2.56280381     -0.90375014     -2.52307174
  H     -7.36891013     -0.71070617     -0.39443841
  O     -2.43701574      2.70802787      1.22488092
  H     -1.79750420      2.75297039     -0.42030324
  H     -8.04872846     -1.29531342     -1.65334383
  O      1.27767901     -1.07038525      1.09961644
  H     -2.38037075      2.94551521     -1.83394363
  H     -4.64701938      0.96669211     -0.55219309
  O      1.32945333      1.58936201      2.16569899
  H     -2.20450213     -1.83257273      1.16683655
  H     -5.30465555      1.63238289      0.68336115
  O     -5.18069655      0.65966900     -2.30326724
  H     -1.59325486     -0.76960658      0.20471471
  H     -3.38580892      4.22022816      1.63396687
  O     -3.92571777      1.11537947      4.05268016
  H      2.14085979     -0.82833642     -1.98865973
  H     -4.56565194      4.46094118      2.58330036
  O     -7.20495047     -1.02471228     -1.30134515
  H      1.45847750     -0.72823110     -0.60154001
  H     -6.05793846      5.53309223     -0.59107828
  O     -4.52822178      1.13372854      0.39003845
  H     -6.79267021     -0.45939983      1.74393277
  H     -5.10402567      4.83485367      0.40676102
  O     -4.09772347      4.84586025      1.83214610
  H     -7.46096814      0.84689258      1.26961682
  H     -4.93291861      2.51744201      3.87989598
  O     -5.71366093      4.68029922     -0.33774137
  H     -4.58251352     -1.64547012      2.09177712
  H     -5.91620846      3.48394019      4.57712306
  O     -5.53709404      3.26685643      3.72975988
  H     -4.75014978     -0.18818063      1.60482396
  H      1.30354295      1.43773976     -0.94485628
  O      1.06788806      2.24688724     -0.47558183
  H     -1.42573257      0.15172206      2.39394356
  H      0.23441534      2.54182501     -0.86508401
          69
 Energy    -251.10994132744113     
  O     10.78927363      7.85958672    -10.35519142
  H     10.90699871      8.64653783    -10.90084524
  H     18.22822508      6.10158879    -11.10780345
  O     16.30404187     10.19805607    -11.03299724
  H     10.73693972      7.10719066    -10.96082488
  H     16.85993258      8.42337303    -11.00850740
  O     14.84978250      6.14967321    -15.04124556
  H     16.71365623     10.96138591    -10.63484228
  H     16.18658907      7.05255478    -10.74032539
  O     17.57449908      3.08939203    -13.88736845
  H     15.39704878     10.14822990    -10.68049888
  H     13.95749599      3.29222679    -14.34514608
  O     15.70361600      9.77943311    -13.79579542
  H     14.87939270      5.20765637    -14.82095402
  H     14.82100501      3.66958271    -13.11407444
  O     13.00860338      9.42741511    -13.99397572
  H     15.67317742      6.55225262    -14.73129952
  H     13.34052203      7.88739690    -13.00216124
  O     13.77605727      9.97664358    -10.11599065
  H     17.57575317      2.87232346    -12.94754463
  H     13.97925286      6.57140623    -13.47788665
  O     12.21726578      3.00586948    -14.47100760
  H     16.64174727      3.17229025    -14.12961327
  H     12.05620587      7.72646630     -9.19056548
  O     17.41520464      2.95524318    -11.00552807
  H     16.24504973      9.00808816    -14.00426898
  H     12.54809144      7.68610634     -7.72226570
  O     11.51838323     10.19784437    -11.85453967
  H     15.94435919     10.02853960    -12.89458357
  H     12.74015763      7.59502059    -17.02708983
  O     19.08228765      5.32794937    -14.14109920
  H     13.95542083      9.64338122    -13.99599370
  H     13.51563374      7.02448695    -15.81729431
  O     18.74355580      5.30243014    -11.28292537
  H     12.82318672      8.89596445    -14.77845082
  H     17.01913540      7.32519965    -12.94122356
  O     16.98091854      7.47038492    -11.10174043
  H     13.00569000     10.14730303    -10.67098152
  H     17.83313323      6.69958795    -14.09666067
  O     14.83991996      3.59049081    -14.07666699
  H     13.52305418      9.26048972     -9.52158541
  H     11.45939097      6.19821884    -15.36476901
  O     13.52558575      6.98066220    -12.73030932
  H     12.00565901      2.92127894    -13.53459756
  H     10.82850112      5.64258921    -14.06968584
  O     12.85093921      7.71552036     -8.62534334
  H     11.74846987      3.79624160    -14.77744524
  H     14.04279377      6.71129793     -9.62499408
  O     12.73164193      7.54066908    -16.07442064
  H     17.90587491      3.79690267    -11.02854196
  H     14.20197935      6.60896533    -11.16488668
  O     17.09123829      7.28711810    -13.90572081
  H     17.89811865      2.37157078    -10.42657709
  H     11.29994758      4.85022288    -11.89578786
  O     10.96752554      5.45208849    -15.00646707
  H     10.96428446     10.95037265    -12.04619581
  H     11.95556593      6.16499643    -12.37670243
  O     14.58371618      6.31840027    -10.32000004
  H     11.99049171      9.98230736    -12.67700119
  H     12.97623027      3.25954458    -11.39340302
  O     11.10259328      5.75621905    -12.16355274
  H     18.55922619      4.50573260    -14.13441592
  H     11.73914293      2.43429421    -10.97974949
  O     12.02761829      3.13544254    -11.55917231
  H     19.84102634      5.16762639    -14.69525418
  H     14.69686055      4.59609607    -10.84145578
  O     14.72678268      3.71407605    -11.23955187
  H     19.01632036      5.36088112    -12.20667621
  H     15.61514692      3.36711153    -11.08724747
          69
 Energy    -251.10681745642711     
  O     14.57257339      9.38557222    -15.00869287
  H     14.45783597     10.05519642    -14.32300877
  H     10.33064837      6.68585005    -12.45992021
  O     12.14705434      9.86231827    -11.42255908
  H     13.92372053      8.69869062    -14.80140883
  H     16.48781018      4.06266755    -12.16751883
  O     14.47992036      5.60054698     -9.96778909
  H     11.61256461      9.13617565    -11.76599623
  H     17.21183688      4.64539806    -13.39348099
  O     12.32476341      2.22943474    -11.33007880
  H     12.27320320      9.67676417    -10.48407253
  H     14.86758202      6.87595390    -11.22515947
  O     12.55249933      9.09038285     -8.68857233
  H     14.60735745      4.85126930    -10.56725519
  H     15.32688556      8.33610795    -11.52360205
  O     14.14885104     11.12245070    -12.75209647
  H     15.28331285      5.73519116     -9.45158096
  H     17.47158614      6.42607597     -9.42832460
  O     14.68293256      3.62821526    -11.87487093
  H     12.07737550      1.37970786    -10.97593140
  H     17.30562052      6.12966015     -7.92145100
  O     11.56468531      3.42947191    -13.84329091
  H     11.73175741      2.88684221    -10.92310252
  H     17.87029426      8.55172683    -13.05945813
  O     16.03834347      9.97828110    -11.00826044
  H     12.26245402      9.59871736     -7.93583693
  H     18.39681670      8.01765400    -11.72126871
  O     10.63622333      4.14191213    -10.40606341
  H     13.52054725      9.01045670     -8.61663364
  H     12.01627322      7.38446498     -9.22475989
  O      9.57479520      5.04100495    -12.92375959
  H     13.40175018     10.68515389    -12.30435688
  H     12.81508132      6.16817353     -9.74136472
  O     10.90185108      7.39288975    -12.13554297
  H     13.89958481     12.03581577    -12.86836784
  H     15.79708538      8.09351368     -8.55824373
  O     17.30646272      4.49295015    -12.44551744
  H     14.43601018      4.03039211    -12.72127742
  H     15.58321946      9.38651765     -9.37303425
  O     15.08065060      7.49630730    -11.93081373
  H     13.96081217      3.03300868    -11.63689038
  H     19.49035424      6.03351054    -10.85326527
  O     16.83717789      6.43767942     -8.69390084
  H     12.38470849      3.82224392    -14.17044012
  H     18.11573167      5.64101790    -11.43938001
  O     18.24280361      8.83303157    -12.21303087
  H     11.81595236      2.88714484    -13.08593109
  H     13.78025300      7.42691142    -13.15412515
  O     11.92028483      6.53360398     -9.66922135
  H     15.50482340     10.48414346    -11.63394814
  H     12.25618383      7.32551310    -13.35885314
  O     15.25036521      8.88326291     -8.61429771
  H     16.87628833      9.73821107    -11.43131361
  H     16.18526902      7.52387661    -13.38359490
  O     18.56781267      6.27809550    -10.85676978
  H     11.00479616      4.94145385    -10.00748388
  H     16.02629799      8.36529717    -14.66270137
  O     13.09807716      7.27989528    -13.82830692
  H     10.13509351      4.43741582    -11.17619003
  H     16.72368951      6.12411896    -14.91886255
  O     16.61116075      7.72450548    -14.23176742
  H      8.75837890      4.84382630    -13.37477402
  H     17.16015065      5.08941727    -15.98506663
  O     16.70371387      5.17884938    -15.15286009
  H     10.26254160      4.48666897    -13.33413796
  H     14.87696539      4.81410596    -14.76090545
  O     14.00941710      4.73618369    -14.34846121
  H     11.25841474      7.08162785    -11.29025309
  H     13.66014249      5.63491911    -14.24688836
          69
 Energy    -251.10101502492472     
  O     19.51061857     10.30843898     -8.23682746
  H     19.68295188      9.47858468     -7.78048017
  H     16.78757667      9.47808624     -9.57773187
  O     18.15704031      5.11411127     -9.98637708
  H     20.23880777     10.41960914     -8.86821714
  H     21.56745638      9.26070057    -10.11290713
  O     17.65041339      4.25334830    -13.60446535
  H     17.36062899      4.81628165    -10.44342513
  H     21.17576703     10.36520536    -11.11001708
  O     18.31458442      6.99890747    -13.68582886
  H     18.34226711      6.00933196    -10.31547685
  H     15.52364431      9.05862086    -14.33103372
  O     22.14815355      5.79873966    -12.00073989
  H     16.97984104      4.25382368    -12.90031441
  H     16.65708749      9.39769891    -13.33188706
  O     15.88401395      4.51251689    -11.52500144
  H     17.34700702      3.64466187    -14.27331296
  H     19.32330891      4.08135095    -12.58917809
  O     20.98460114      7.84768972    -13.65811404
  H     18.07240257      6.06628435    -13.73852522
  H     19.48360666      4.36736700    -11.09658596
  O     20.13296614      7.60088187     -7.32098164
  H     17.51378883      7.52225396    -13.81846808
  H     13.46729064      6.50189364    -10.71549470
  O     15.07470376      5.10116823     -7.30487099
  H     22.93756587      5.29879968    -12.19034806
  H     13.15926938      5.19819666     -9.95643800
  O     21.21132184      7.38821784     -9.86563494
  H     21.40986607      5.16379700    -11.98942999
  H     14.93059546      8.00574834     -8.46424711
  O     18.70708257      7.61721632    -10.96293336
  H     15.60614229      5.44090275    -11.57026723
  H     16.41754733      7.56207123     -8.47121838
  O     17.48871783      9.97118138    -10.02178912
  H     15.31346170      4.08166653    -10.87624547
  H     15.39534673      7.52625952    -10.64160585
  O     21.46455581     10.21660914    -10.20163711
  H     21.44394796      7.17833035    -13.13837144
  H     15.37283786      7.72131319    -12.19418784
  O     16.06999355      8.68378645    -13.64574894
  H     20.09207642      7.50830106    -13.81147926
  H     20.79052618      9.52463092    -13.21424636
  O     19.98689401      4.15793033    -11.89516211
  H     20.79260371      7.49241658     -6.63955795
  H     21.11229947     11.00568453    -13.51525927
  O     12.83619372      6.09535742    -10.10622989
  H     20.58855099      7.46696626     -8.16887896
  H     18.40001264      6.83194024     -7.38338744
  O     15.76749595      8.11124571     -8.93188383
  H     15.96241996      5.47773908     -7.25084390
  H     17.80581316      5.81908709     -8.38306112
  O     15.08929212      7.14354961    -11.47643108
  H     14.46613001      5.84979176     -7.26876037
  H     13.03407513      6.93631980     -8.56815990
  O     20.60325565     10.43960324    -12.93998583
  H     21.69795440      6.82887595    -10.48105565
  H     12.57848527      7.75589151     -7.33437931
  O     17.57829613      6.39583499     -7.63736294
  H     20.34367196      7.53111900    -10.27725059
  H     18.72057006     10.54786433    -12.81865041
  O     13.33786148      7.34531597     -7.73806101
  H     18.60654094      7.50296081    -11.91582331
  H     17.62284684     10.49454321    -11.73131836
  O     17.76532353     10.51517465    -12.68978443
  H     18.30398251      8.45533179    -10.70440473
  H     14.57553134      4.11283197     -8.65770825
  O     14.23378848      3.65577105     -9.44735290
  H     18.15744962     10.19406549     -9.35573439
  H     13.88384271      2.82032332     -9.14978739
          69
 Energy    -251.09912376664715     
  O     13.03780283      6.99931514    -15.81330052
  H     13.84837066      6.84155564    -16.31493153
  H     20.12106993      9.78851624    -14.69926273
  O     16.38742222     11.29803070    -12.69872794
  H     12.87243909      7.94826114    -15.86715798
  H     15.67938986     11.07635836    -16.66787022
  O     17.04724445     11.30030995    -15.42757123
  H     16.25616539     11.53781170    -11.77343138
  H     15.42028576     10.12417279    -17.85657652
  O     17.17276511      4.74584308    -15.84040571
  H     15.59946936     10.79318710    -12.95673564
  H     15.67133255      8.77138797    -14.39596709
  O     14.51051303      9.20218951     -9.46608053
  H     16.91811561     11.48807997    -14.48793522
  H     16.70750812      9.47382919    -15.27768679
  O     16.60549811      7.02838776    -11.53993479
  H     17.99299220     11.33941308    -15.61893389
  H     13.01725732      6.09653231    -14.33721402
  O     14.31619547      9.67795274    -13.47399415
  H     17.39348411      3.82520439    -15.94686663
  H     12.38521698      4.95485702    -13.50507326
  O     18.89743250      8.91430661    -17.63631296
  H     16.73521736      4.83311056    -14.97238052
  H     17.44690078     10.50816502     -9.45346186
  O     16.73589280      7.53281719     -8.75761809
  H     15.16891402      8.60168168     -9.09366917
  H     18.31900142      9.58719816    -10.31655739
  O     19.73624634     11.01159360    -16.15281433
  H     14.09059229      8.70787004    -10.18110886
  H     14.95331830      5.20616357    -13.48222157
  O     18.70014656      7.11090325    -15.46458546
  H     16.67489535      7.01235021    -10.57715541
  H     16.24979788      5.71497360    -12.80958638
  O     20.13983646      9.07276841    -14.05344211
  H     17.18400356      7.74536974    -11.83816058
  H     17.63154112      9.94037813    -12.38918028
  O     14.98455062     10.72745858    -17.24338508
  H     14.01391085      8.99179475    -12.86394078
  H     18.95320970      9.18321326    -12.73456201
  O     16.39721209      8.59927824    -15.00653238
  H     13.69321283      9.74949566    -14.20689344
  H     15.31182671     10.74276749     -9.77571172
  O     13.08207306      5.60531301    -13.49846125
  H     18.88904197      8.18776259    -16.99813192
  H     15.48374930     12.23015947     -9.39285009
  O     18.08979913      9.79126644     -9.39755476
  H     18.05720200      8.87720137    -18.10677314
  H     16.00036605      7.95360514    -18.25305646
  O     15.91392574      5.12472468    -13.49709047
  H     17.05613910      7.10572604     -7.96826657
  H     16.08963127      8.45277541    -19.71398400
  O     18.20967215      9.21654126    -12.11685211
  H     17.29262688      8.32076274     -8.89826057
  H     14.83200334      7.41004397    -11.65966544
  O     15.85636356     11.53556542     -9.92954302
  H     19.48988526     10.29657955    -16.76839247
  H     13.48423794      6.90078909    -12.23128855
  O     16.28318953      8.69702224    -18.81216443
  H     20.40618770     11.53264107    -16.58669090
  H     13.58332208     10.16944134    -16.38329830
  O     13.88565460      7.61471109    -11.72132820
  H     18.37601690      6.21485726    -15.60449753
  H     12.08235877     10.37811715    -16.07421557
  O     12.83541511      9.83589092    -15.85520331
  H     17.93436550      7.61869380    -15.15341773
  H     15.83219374      7.46168655    -16.25894686
  O     15.60375991      6.81134993    -16.94400446
  H     19.83961071      8.28382925    -14.52531475
  H     16.09971519      6.01305912    -16.72518990
          69
 Energy    -251.09909872196479     
  O     -4.24791948      0.78678766      0.27000705
  H     -4.77956611      1.57191964      0.16598094
  H      1.63053324     -1.46541941      3.67614394
  O     -3.21693696     -1.82695765      6.86726127
  H     -4.34176513      0.50825380      1.19732192
  H     -1.21931292     -1.03849942      0.75863546
  O     -1.74813736      0.19095147      3.61302899
  H     -2.36631049     -1.76902305      6.40011500
  H     -1.35358842     -0.99909947      2.29773155
  O     -4.35144351     -0.15746004      2.82939616
  H     -3.04555032     -1.58869326      7.77502293
  H     -1.99298957     -3.09570746      1.51218357
  O     -3.71267631     -4.37726053      5.66123236
  H     -0.97731281      0.74814388      3.44262894
  H     -3.42627763     -3.65628384      1.65846531
  O     -0.94474683     -1.82922663      5.33824208
  H     -1.50218675     -0.45369676      4.29241384
  H      0.57602590     -2.15445714      1.92077782
  O     -5.98218365     -3.85747644      4.28142763
  H     -4.83612011     -0.38311300      3.63703091
  H      1.96117185     -2.17943668      1.26610413
  O     -1.63169290      0.13666178     -0.63254802
  H     -3.44440461      0.03828992      3.10625631
  H     -5.42940654     -3.20412141      2.64111866
  O      0.88612181     -5.07531317      2.73485878
  H     -3.57774182     -3.59329572      6.20787526
  H     -4.73528683     -1.88882942      2.21180737
  O      0.14758221     -3.22114767     -1.27597128
  H     -2.87927917     -4.51492755      5.19152556
  H      2.93125057     -1.73904418     -1.11096865
  O     -0.65146712     -5.46612041      0.29106112
  H     -1.05217422     -2.69491925      4.91857609
  H      1.47392893     -2.17848557     -0.83687309
  O      1.44668273     -0.87418315      4.41988826
  H     -0.03854086     -1.53166814      5.16714389
  H      0.78235003      1.25607427      2.02437358
  O     -1.13295129     -1.57549785      1.55524629
  H     -6.67678742     -4.45466729      4.54491973
  H      0.98194932      2.37439556      3.07108124
  O     -2.50199257     -3.91999482      1.57831422
  H     -5.17969604     -4.12902879      4.76287609
  H      1.43501570      0.06302706      0.03663778
  O      1.49731409     -2.40895259      2.07910656
  H     -1.80317891     -0.54592687     -1.29426706
  H      0.05945555      0.73993350     -0.09824136
  O     -4.98946218     -2.76885559      1.90000999
  H     -2.49207726      0.46426503     -0.33995717
  H     -2.56352492     -2.18732328     -3.11228522
  O      2.19205957     -1.59769911     -0.52583794
  H      1.24916623     -4.19631297      2.55646484
  H     -3.14882461     -2.13663404     -1.68389282
  O      0.64507672      1.48936815      2.95963267
  H      0.49320251     -5.35570517      1.90021958
  H     -5.75671446     -2.03390082      4.91539020
  O      0.91983042      0.82289946      0.33415173
  H     -0.04474613     -4.02664285     -0.78022748
  H     -4.70878732     -1.30060963      5.77180086
  O     -2.31929194     -2.11248479     -2.19302579
  H     -0.69852391     -2.90097834     -1.61045816
  H     -1.87136621     -4.18326890      3.29147341
  O     -5.42139728     -1.15653431      5.13630243
  H     -0.99231034     -6.30966044      0.00369595
  H     -0.52229163     -4.67012164      3.82881420
  O     -1.36973859     -4.29739759      4.10983351
  H     -1.38753008     -5.00161827      0.72590650
  H     -4.60540845     -0.92941758     -0.51583149
  O     -4.60416813     -1.86659470     -0.74771356
  H      1.30853497     -0.00807655      4.01916596
  H     -4.85013302     -2.32680734      0.06456720
          69
 Energy    -251.09867081272949     
  O     11.99261111     10.96950126    -15.01315688
  H     12.61505307     11.70314935    -14.94733256
  H     14.04283070      5.76601139    -15.57837818
  O     15.76790123      6.72631996    -13.16760800
  H     11.73021608     10.73487235    -14.11439168
  H     15.38701178     11.00493629    -17.36706204
  O     17.70508909     10.67992097    -12.43235803
  H     16.65883684      7.03929467    -12.96372123
  H     16.44713129     11.40458843    -16.33190603
  O     17.49015140     10.31017829    -15.20128679
  H     15.20808793      6.90106906    -12.39875200
  H     14.36563872      8.94048599    -15.11436173
  O     12.22877326      6.37280385    -15.37834804
  H     16.78555763     10.97087545    -12.52562564
  H     15.29074009      8.22006805    -14.08778840
  O     15.48705411      9.97695154     -8.86878337
  H     17.91294722     10.74307501    -11.49200720
  H     11.35556974      9.04742016    -12.58045818
  O     14.11156122      7.42585677    -11.06981761
  H     17.74492172     10.62030830    -14.32256079
  H     10.27431645     10.07114405    -12.16137569
  O     15.04999284     11.29562219    -12.92846711
  H     16.65173678      9.83406932    -15.07841950
  H     18.32427341      7.64690404    -10.94581130
  O     16.48409662      7.40377869    -17.18665556
  H     12.43569973      7.23648335    -15.77785476
  H     18.27713236      8.69551456     -9.82054012
  O     15.79863034      7.11895713     -8.85657850
  H     11.51928164      5.99507977    -15.89236212
  H     12.57510467      7.19589581    -12.17601120
  O     18.88524575      7.99079872    -15.61152676
  H     15.50350180      9.02341848     -8.71976793
  H     11.98273895      6.95525354    -13.59383303
  O     15.00100024      5.67462479    -15.62804332
  H     14.74363850     10.14208265     -9.46356008
  H     18.06192242      8.86542540    -12.70307626
  O     15.67162306     11.73527728    -16.80386043
  H     14.60631834      7.19853256    -10.27272355
  H     18.59199081      7.81247346    -13.71172476
  O     15.09210441      9.07252060    -14.49538865
  H     13.94749003      8.37856035    -11.02683723
  H     17.09532777     10.45324587     -9.34503106
  O     11.18561611      9.99630122    -12.43286994
  H     14.74293827     12.00576249    -13.50376509
  H     18.42946029     11.15583717     -8.99613535
  O     18.18278555      7.75081677     -9.99620432
  H     14.98568473     10.48032919    -13.45380280
  H     15.53432090      8.66864715    -17.87469685
  O     11.82349755      7.39272551    -12.74912782
  H     15.95929499      6.74411756    -16.70675421
  H     14.94024086      9.26837681    -19.17080966
  O     18.25946836      7.92374601    -12.81327861
  H     17.32621420      7.46144975    -16.72670863
  H     12.67063786     10.19328951    -11.29048165
  O     18.01162383     10.59579272     -9.64466181
  H     16.67490138      7.25750009     -9.25907251
  H     14.11356024     10.65743352    -11.55371165
  O     14.95189298      9.36946620    -18.22279662
  H     15.91217386      6.47551353     -8.16258311
  H     13.99064687     13.87141535    -15.17065939
  O     13.55898570     10.18630225    -10.91417105
  H     19.72676383      8.08581366    -16.05181845
  H     14.62492222     12.55230959    -15.67167749
  O     14.07263429     12.94306875    -14.97044124
  H     18.48691748      8.87764401    -15.57353290
  H     13.52514566      9.05007595    -17.07371854
  O     12.95935531      8.80643374    -16.33135043
  H     15.32129837      5.87237250    -14.73655165
  H     12.55197188      9.60574609    -15.96082585
          69
 Energy    -251.09821136877855     
  O     17.92765783      9.83893489     -8.28282628
  H     18.78033777      9.38559019     -8.14935084
  H     22.14136658      7.48716623    -10.54468005
  O     17.74294345      5.73610871     -8.87262365
  H     17.96111413     10.63779937     -7.76338164
  H     17.06708937      6.89545326    -15.39358312
  O     19.24672223      3.41203249    -11.13984148
  H     17.31352755      5.00456665     -9.33196959
  H     17.72202096      7.65412020    -14.21424649
  O     19.31407747      5.46848733    -13.02671266
  H     18.24567264      6.21811458     -9.54775684
  H     21.61871049      3.10149226     -9.14075187
  O     22.95669954      5.81382625    -10.79144492
  H     18.31406590      3.39232821    -10.89242970
  H     20.58993285      3.73171424    -10.10234597
  O     16.51833618      3.86881471    -10.52574053
  H     19.29540774      3.98959174    -11.91394203
  H     13.32376966      4.42365110    -10.93397869
  O     21.92649352      6.34296588    -13.42415786
  H     19.20988267      6.04791208    -12.25454603
  H     13.97991417      5.23115497    -12.06765535
  O     20.29505932      8.57633982     -8.01309221
  H     18.65758666      5.76707099    -13.66544079
  H     14.13781295      8.02701936    -10.72953244
  O     13.66714750      6.15693202     -8.19692326
  H     22.41338399      5.13453249    -10.36018325
  H     15.39679307      7.95846239     -9.82988093
  O     19.03942593      7.15780144    -10.85405132
  H     23.86249201      5.63123513    -10.55241858
  H     16.21984229      6.16650782    -13.09195127
  O     17.46883848      9.48198590    -11.05959404
  H     16.30660573      4.52445871    -11.20715166
  H     15.57148993      6.66957792    -11.77286472
  O     21.59503906      8.28222991    -10.48863988
  H     15.68692995      3.65695461    -10.08391928
  H     21.59814425      8.05621069    -13.39417374
  O     17.30238528      6.81378700    -14.47342620
  H     22.36883313      6.06570928    -12.61333896
  H     21.95079897      9.51547479    -13.77338359
  O     21.36919703      3.92602281     -9.55073119
  H     21.04821903      5.93598822    -13.39854827
  H     16.59317796      8.49500122     -8.04464310
  O     13.12528135      5.01864574    -11.66800882
  H     20.86029154      8.64312972     -8.79267707
  H     16.62499685      6.97127818     -8.30462818
  O     15.09857574      8.11253511    -10.73923833
  H     20.31729900      7.64292199     -7.75690768
  H     12.55612136      6.52461567    -10.97029575
  O     15.73798071      5.88034070    -12.30767431
  H     13.14250948      6.64075966     -8.84659973
  H     11.52268815      7.64912139    -10.71275454
  O     21.37142192      8.98927604    -13.22814401
  H     14.42870845      6.71659294     -7.99717311
  H     18.15257285      9.40359612    -12.79218815
  O     16.02800793      7.72078555     -8.14837832
  H     19.91227842      7.49574195    -10.61734991
  H     19.48397345      9.08705433    -13.50929340
  O     12.40596076      7.36350755    -10.49775684
  H     18.47624088      7.92864051    -11.00029114
  H     20.70969247      5.19513790     -8.20203106
  O     18.52609970      9.08317621    -13.62425076
  H     17.65851297      9.74213057    -10.14899760
  H     19.30638855      5.70004635     -7.87847518
  O     20.23633872      5.81238196     -7.63481909
  H     16.56760472      9.12752634    -11.06209137
  H     13.58001696      3.02128516     -8.73188754
  O     13.99638826      3.67801737     -9.28357938
  H     21.56081719      8.66459654    -11.37491531
  H     13.90150540      4.53103844     -8.82335908
          69
 Energy    -251.08839316232144     
  O     11.98535297     10.21595503    -14.29642829
  H     12.44333120     11.05191150    -14.45401333
  H     17.22952802      7.50484615    -16.20363713
  O     15.60325373      6.67647791    -12.84502188
  H     11.71769554     10.20300311    -13.36931633
  H     15.86171375     10.88649051    -16.39194147
  O     17.85352687     10.54770349    -12.86288083
  H     16.53060036      6.94051949    -12.90357654
  H     14.59661403     10.40884691    -17.17161132
  O     17.47645517     10.41512042    -15.70957006
  H     15.10400616      7.38371478    -13.28467085
  H     14.80176401      8.45069779    -15.05709519
  O     11.70565053      6.08365224    -14.39744871
  H     16.91995712     10.80225876    -12.81820510
  H     13.54531260      9.06229383    -14.35026752
  O     16.26543085     10.17662837     -8.85012622
  H     18.21140213     10.67949604    -11.97654322
  H     10.78347505     10.41182446    -10.94411594
  O     14.38124804      7.30092597    -10.49000351
  H     17.72197765     10.59976657    -14.79508421
  H     12.29254538     10.11805081    -11.11277641
  O     15.14409863     11.02352172    -12.88313766
  H     17.81602819      9.53121605    -15.89109675
  H     18.52139041      7.61122924    -11.32665926
  O     15.51560440      7.39644790    -16.48742806
  H     11.79067721      6.47583509    -13.51085846
  H     18.73935461      8.71806738    -10.28051234
  O     16.51102543      7.33011188     -8.65311060
  H     11.01120148      5.43193845    -14.33820764
  H     11.62657869      8.11999749    -11.79449974
  O     14.38852115      5.37325136    -15.04653961
  H     16.30887240      9.23759791     -8.62808394
  H     12.70542943      7.11723071    -11.35303922
  O     18.16863004      7.63840194    -15.98319996
  H     15.43518890     10.29325148     -9.32777747
  H     18.03650038      8.73599348    -13.06693177
  O     14.96555084     11.13773336    -16.66305717
  H     15.01189887      7.21477154     -9.76538635
  H     18.28030604      7.62402761    -14.10965112
  O     14.44636374      8.74821868    -14.21064773
  H     14.84321751      6.99454677    -11.28609168
  H     19.17420651     11.20760431     -9.63120428
  O     11.42253982     10.02481689    -11.53692195
  H     14.69623316     11.70039520    -13.40338286
  H     17.76988498     10.55972426     -9.67027604
  O     18.56305143      7.77360164    -10.37557567
  H     15.00029027     10.19099426    -13.36284822
  H     13.36386339      8.88694925    -18.86832679
  O     11.93860003      7.21857353    -11.93138357
  H     14.92341232      7.79628607    -17.13550183
  H     12.94194656      8.64755917    -17.39850361
  O     18.14401742      7.77830652    -13.16697382
  H     15.08780366      6.61360378    -16.10507768
  H     14.14334806      9.11036306    -10.56666416
  O     18.61373888     10.63711113    -10.15025150
  H     16.79346566      6.75625006     -7.94627597
  H     14.43143882     10.44596796    -11.33574374
  O     13.69559414      8.87084796    -17.97484547
  H     17.25938389      7.40080683     -9.27347203
  H     13.49427677     13.36972928    -15.02480062
  O     13.98478451     10.06682042    -10.56404190
  H     13.45572473      5.53609427    -14.85743146
  H     14.11400314     12.02836441    -15.49183671
  O     13.62749338     12.46309825    -14.76479115
  H     14.85959430      5.57935438    -14.22775630
  H     11.62733971      9.01426925    -15.61705317
  O     11.72761918      8.26937576    -16.22688244
  H     18.67556350      7.18249104    -16.64966235
  H     11.68843186      7.47504752    -15.68044201
          69
 Energy    -251.08661459646154     
  O     20.27169504     12.69110705    -19.36287352
  H     20.69327589     13.47118418    -18.96217284
  H     19.65134624     17.78324651    -14.98399914
  O     16.50476106     15.80623743    -12.42999519
  H     20.75849769     12.49782101    -20.16006505
  H     15.47306871     10.18160481    -14.35214582
  O     22.21597869     14.57985134    -15.44139327
  H     16.01663142     16.30728372    -11.78172599
  H     15.67467576     11.38764538    -13.39604498
  O     16.11368794     13.20946768    -13.46761890
  H     16.53409791     16.34988038    -13.23755149
  H     21.08363069     15.84507764    -14.61102719
  O     16.49992105     11.79090647    -17.54186222
  H     23.08735494     14.31357954    -15.15886032
  H     20.05431069     15.92071341    -13.43231472
  O     18.19845506      9.56608938    -12.94585373
  H     21.64254771     13.79689881    -15.35978158
  H     18.68441441     11.35626009    -12.92761365
  O     15.54325955      9.52808670    -16.16166676
  H     15.98450857     13.45189684    -14.39642682
  H     17.84603583     12.61371614    -13.26015340
  O     21.37201098     14.88561179    -18.18982710
  H     16.14517926     14.04471076    -12.98566335
  H     18.35929884      9.15060772    -14.83616619
  O     19.28834558     16.70992076    -17.74412602
  H     16.04277633     11.03835308    -17.14878941
  H     18.68763805      9.61146763    -16.28438346
  O     20.38219832     12.58000965    -15.28858571
  H     16.24901086     12.57548403    -17.03239459
  H     14.31407591     16.90144346    -17.33047292
  O     17.48646099     13.49094816    -19.60048031
  H     18.23941425      8.90735838    -12.25784641
  H     15.72056024     16.42828160    -17.77119259
  O     19.14511419     18.44606609    -15.48738215
  H     17.25920075      9.80772752    -13.05087105
  H     16.10781328     17.11378925    -15.47895708
  O     15.67578611     10.42185539    -13.43952994
  H     15.05349082      8.77668101    -16.48560756
  H     17.41438391     17.78400752    -14.98926577
  O     20.35791000     16.36250180    -14.24115786
  H     16.46709242      9.23675245    -16.05175914
  H     19.17711339     14.01925917    -12.37567234
  O     18.74807052     12.30553619    -13.09060310
  H     21.75882708     14.83859859    -17.30845695
  H     18.30877948     15.27883008    -12.17763102
  O     18.17578599      8.97588791    -15.76726386
  H     20.75350798     15.62848411    -18.16939327
  H     19.63364229     11.55211598    -18.04983931
  O     15.13181564     16.53996537    -17.00106622
  H     19.27791941     17.45736047    -17.13540422
  H     18.25518161     11.37513858    -17.36895340
  O     16.62886726     17.31161691    -14.69085166
  H     19.01151698     15.94487793    -17.21508779
  H     19.04988064     15.33778258    -15.21731851
  O     19.22335396     14.96966340    -12.21220380
  H     20.03717630     11.98406347    -15.96790508
  H     19.22077606     13.93812329    -15.82565209
  O     19.19330905     11.14407383    -17.29299374
  H     19.86184135     12.44848945    -14.48288047
  H     17.71295660     16.47257090    -18.75292588
  O     18.67408937     14.73190951    -15.86794646
  H     18.42058659     13.25408135    -19.60347340
  H     17.00732173     15.21542484    -19.29963421
  O     16.85084208     16.12867578    -19.01717335
  H     17.05456996     12.84365770    -19.02918463
  H     16.96098208     14.33480117    -16.01094189
  O     16.02992032     14.06506899    -16.07016278
  H     19.50611454     19.29919509    -15.26107098
  H     15.54741983     14.83616549    -16.38876218
          69
 Energy    -251.08390386147340     
  O     -6.33421899      2.65636409     -2.26893086
  H     -5.77553148      3.43846794     -2.31673041
  H     -4.15828886     -0.82016827      1.99015441
  O     -2.45442242      3.65904176     -3.21374273
  H     -6.48728759      2.50921804     -1.32329992
  H     -1.21701873      2.37290472      1.68113450
  O     -6.34548761      2.14243645      0.43574161
  H     -2.68242224      2.72108561     -3.27424266
  H     -1.73951671      1.60650324      2.90486980
  O     -3.30453653     -1.11202331      0.35831577
  H     -1.58056222      3.68981287     -2.80538237
  H     -2.40723831      4.28586145      0.46081878
  O     -0.48234772      0.52504800     -1.94995172
  H     -6.04330137      2.67858813      1.18372449
  H     -1.24532027      3.53571472     -0.28462065
  O     -3.07686770      0.93833711     -2.88632892
  H     -6.71072468      1.31808304      0.77942665
  H      2.84652569     -1.53880272      0.88814121
  O     -5.80780729     -1.39025496     -0.90030864
  H     -2.34844831     -1.19159364      0.45673594
  H      2.32998395     -0.45110138     -0.08559125
  O     -0.12574797      3.26509729     -1.66504394
  H     -3.45840967     -0.17520002      0.15376222
  H      0.88033224      1.81332274      2.12670777
  O     -0.59748296     -0.56766189      0.64154550
  H     -1.33736330      0.50032331     -2.39854770
  H      2.00934343      0.89289335      1.62097539
  O      2.31858251      0.46353363     -1.58657772
  H     -0.59786408      0.11941413     -1.07911576
  H     -6.32720360      0.02074779     -4.04584578
  O     -7.14977899     -0.41939457      1.23919310
  H     -3.29020088      1.18471445     -1.97131362
  H     -5.99982039      1.08973862     -2.97680405
  O     -4.69328239     -0.44332039      2.70205765
  H     -3.89337593      0.56831899     -3.23867118
  H     -3.52710952      1.69661270      4.67866306
  O     -0.99136533      1.66035526      2.29871703
  H     -4.89952907     -1.47543793     -0.57913307
  H     -3.89377742      0.92941145      3.38871104
  O     -1.83711168      3.50877361      0.48052528
  H     -5.76885404     -0.90867718     -1.73480994
  H     -3.09210396      2.22847770      0.04568489
  O      2.20387922     -0.84090250      0.79839577
  H      0.77110447      3.38056458     -1.32828118
  H     -4.59164770      1.77564168     -0.03504404
  O      1.79204431      1.81493746      1.80732834
  H     -0.24233539      2.31113754     -1.79569454
  H     -3.88667778      6.37660547      0.56006516
  O     -5.75770621      0.20418005     -3.30346919
  H     -0.76080196      0.17036038      1.24698305
  H     -4.16954821      5.28820341     -0.49883607
  O     -3.41823568      1.70816010      3.73081366
  H      0.32682043     -0.81925798      0.75355369
  H     -4.86523313      5.61594221     -2.89526204
  O     -3.68666470      1.54094522     -0.27633810
  H      2.46807099      1.38790104     -1.35280950
  H     -3.79531302      4.53570330     -2.61039245
  O     -3.84497845      5.43592470      0.40424473
  H      1.40836730      0.41760947     -1.91054206
  H     -4.59738135      4.26441279      1.80170372
  O     -4.57661114      4.98599072     -2.23927078
  H     -6.73541674     -0.82217644      0.45366543
  H     -4.42616183      3.07960259      2.79733436
  O     -5.07779750      3.62655051      2.34122409
  H     -7.97701620     -0.87156846      1.37798800
  H      2.19930877      2.73190005      0.37112039
  O      2.41106864      3.13589937     -0.48975232
  H     -5.59736179     -0.44492014      2.36749501
  H      3.16471861      3.70248809     -0.34957661
          69
 Energy    -251.08317500739551     
  O     16.47445299      3.05811088     -7.25474046
  H     16.40851924      2.10737079     -7.25996899
  H     14.87038427      7.46516572     -5.45996269
  O     19.66275249     10.64034159     -9.07207297
  H     15.61752569      3.39993569     -6.94187896
  H     15.28419100     11.23962083    -12.33067797
  O     14.22407093      4.32163942     -6.39284149
  H     19.23923634     10.72458261     -9.93650814
  H     15.66871256     11.38694582    -13.82037976
  O     13.53582370     10.39141957     -7.35298548
  H     20.08402156      9.77270469     -9.06162790
  H     17.00097486      6.03061135    -10.73153716
  O     18.09912773     10.38478581    -11.40926983
  H     14.09579307      4.96546229     -7.10377298
  H     16.89700268      7.55592116    -10.79540193
  O     20.72729539      7.96661150     -9.26172120
  H     14.48505585      4.83892616     -5.62127941
  H     17.41321151      4.28548855     -6.09730139
  O     14.98227193      8.12415998    -12.77607789
  H     13.85334703      9.62901614     -6.85402838
  H     18.22649505      5.58787103     -6.21095924
  O     14.45555899      6.31905947     -8.35626737
  H     14.31504409     10.90200683     -7.60994833
  H     11.28227849     10.50492333     -9.62738931
  O     17.19928569      8.79574884     -7.04842982
  H     17.48745395     10.67539796    -12.09559917
  H     12.59537093     10.37284105     -8.81519241
  O     15.79922643     11.60686037     -8.55569696
  H     17.54138921      9.90612671    -10.77723689
  H     16.66141526      8.83979913     -8.77475904
  O     18.14556304     11.44389734     -6.99925170
  H     21.66347977      7.79856297     -9.33379482
  H     15.46943375      8.76125816     -9.81705774
  O     14.69592193      8.05075506     -6.20762837
  H     20.36369997      7.91318853    -10.16417943
  H     19.53289636      7.02582804     -8.17136985
  O     15.84857602     10.87532266    -13.03575679
  H     15.33400066      9.00539843    -12.95277102
  H     18.27205263      7.43161153     -7.37229788
  O     17.05706620      6.77589690    -11.34382826
  H     15.73180563      7.56384870    -12.53618341
  H     17.61702075      5.66241391     -8.62207520
  O     17.70273637      5.05839628     -5.59646827
  H     14.10796686      6.85194834     -9.08422530
  H     16.81673539      4.33537816     -8.59443821
  O     12.21811145     10.34667429     -9.71388655
  H     15.29859498      5.94661651     -8.64837241
  H     13.18157616      8.84659310    -10.18687557
  O     16.38880881      9.03374655     -9.68212082
  H     17.48064035      9.69931383     -6.86113627
  H     14.08155240      8.10401309    -11.24035740
  O     18.79639047      6.66892858     -7.66139869
  H     16.34267613      8.62925379     -6.63105470
  H     19.18829743      8.87060105    -11.78750554
  O     16.92362427      5.16304533     -9.07851443
  H     15.98039563     10.77637912     -9.01686577
  H     18.79314156      7.39090044    -11.72399649
  O     13.83050946      8.14308093    -10.30465091
  H     16.56974684     11.76384055     -7.99735916
  H     16.29514333      5.72685347     -4.78115293
  O     19.55756098      7.98186030    -11.69951550
  H     18.62573648     12.01530096     -6.40702481
  H     15.50377446      5.91174826     -3.46527110
  O     15.44842057      6.03293682     -4.40935485
  H     18.75235849     11.21126030     -7.72697790
  H     14.84142132     12.01508942    -10.16644862
  O     14.33982417     11.81470817    -10.96672860
  H     14.55693069      7.46972474     -6.97189164
  H     13.53325179     11.38308910    -10.66023047
          69
 Energy    -251.08084067767001     
  O     12.37004950     10.35090978    -17.19914759
  H     12.91807319     11.13941022    -17.10953421
  H     15.83831585      4.50546529    -15.83096669
  O     15.33747845      8.25248629    -12.28158582
  H     11.76388691     10.34500216    -16.44872053
  H     18.20258878     11.34667847    -12.91211442
  O     15.40209986     12.74330491    -12.17964362
  H     15.20708166      8.61802345    -13.17065116
  H     17.70820254     10.40643003    -11.79266254
  O     16.79623650     12.20966883    -16.08091125
  H     15.70220863      8.96550798    -11.74169268
  H     16.91931933      8.77862105    -16.90516288
  O     13.36937982      7.01017505    -15.70628525
  H     14.85274154     12.39047224    -12.89617772
  H     17.85138585      9.09967762    -15.68297489
  O     12.96260838     12.52316449    -10.67054617
  H     16.23245111     13.00225832    -12.59706990
  H     14.30359041      8.51755186    -15.15259744
  O     12.66592198      8.55401055    -11.59622839
  H     15.90981635     12.37913668    -16.41621637
  H     15.64848065      9.30426287    -15.32295599
  O     13.80036303     11.65066885    -14.14125189
  H     16.97995694     11.27414680    -16.24901212
  H     10.83198688     10.60590994    -14.09856141
  O     17.00547156      6.50233280    -13.70313739
  H     13.25271931      7.27606679    -16.62833551
  H      9.61712205     10.48666269    -15.04070247
  O     13.59752153      9.99985503     -9.41906559
  H     14.09285425      6.36975902    -15.68853453
  H     12.03223222      7.34754488    -14.48256876
  O     18.93263214      8.50713561    -14.28521676
  H     13.17538301     11.77108093    -10.10328876
  H     10.99361705      8.46569463    -14.30528324
  O     15.68401332      5.44560361    -15.80212579
  H     13.79938060     12.79850749    -11.06604454
  H     17.42327736     12.75426332    -14.56366737
  O     18.32953905     10.47021923    -12.52726222
  H     13.58834516      8.35277319    -11.81158034
  H     18.39996472     13.70784545    -13.83516458
  O     17.18268796      9.46611738    -16.27480862
  H     12.13366777      8.13386457    -12.28852003
  H     15.86158577     11.27204260    -11.21344160
  O     14.84171247      9.23464837    -14.79541958
  H     13.01230728     11.47388929    -13.61404833
  H     15.37470010     10.29588768    -10.12337598
  O     10.54197629     10.26306988    -14.95998212
  H     14.17806437     10.79144848    -14.38785338
  H     15.21681638      7.70144105    -18.06929286
  O     11.38378314      7.70552021    -13.86017557
  H     17.73254772      7.10733404    -13.89473397
  H     16.02572107      6.71273448    -17.20421024
  O     17.76300760     13.01399062    -13.68796072
  H     16.43939758      6.96732372    -13.07279350
  H     11.92477529     11.65580663    -11.88091874
  O     16.09598172     10.45783226    -10.74261935
  H     13.18593858      9.44365440    -10.10121162
  H     11.94831975     10.14470489    -12.21819095
  O     16.11348450      7.46937705    -17.79773914
  H     13.33553558      9.63495301     -8.57723121
  H     13.88670955     12.40793257    -15.71173251
  O     11.63457094     11.00368759    -12.53543824
  H     18.73870603      9.19472455    -13.62258116
  H     13.67104594     13.55022092    -16.73390313
  O     13.99142975     12.65528918    -16.64811425
  H     19.87955514      8.39545231    -14.29550579
  H     12.99982677      8.92645259    -17.94581728
  O     13.33683768      8.07807081    -18.28661060
  H     16.18275593      5.78819067    -15.03839879
  H     12.86863815      7.90470521    -19.09881607
          69
 Energy    -251.08072749814045     
  O     17.87741435     11.29884583    -13.99906623
  H     17.06986599     11.78088694    -14.21507581
  H     14.58308159     12.48939075    -11.27643749
  O     15.18675881      6.52411199    -11.37591301
  H     17.87803060     11.19402970    -13.03875804
  H     15.37207244      8.27776547    -11.85969191
  O     12.15331881      8.73610463    -14.01060567
  H     14.23576907      6.56201400    -11.54392325
  H     14.76410533      9.55590786    -11.26045727
  O     18.88951175      8.40186145    -10.35651052
  H     15.61234310      6.16051599    -12.16466129
  H     18.34657441      9.82351599    -14.78095620
  O     14.34987068      6.03616930    -16.91929304
  H     12.97478415      9.14317975    -14.31916496
  H     19.38169355      9.11840891    -15.68833214
  O     16.41804068      5.79127901    -13.72912908
  H     11.91840917      8.05794877    -14.66016918
  H     12.14430332      5.44313334    -12.82473887
  O     14.62882859      9.81581973    -14.59183826
  H     19.72944117      8.13519542     -9.99317627
  H     11.38790861      4.12101830    -13.07589579
  O     14.40168807      9.74979905     -9.33278927
  H     18.81002818      7.96656386    -11.22527814
  H     17.95483794      6.63853820    -13.05042596
  O     14.51521293      4.12014762    -14.77400735
  H     14.53993318      5.93314253    -17.84866483
  H     18.68950937      7.87755757    -13.59330411
  O     11.93445989      8.71443263     -9.76125597
  H     14.99971650      6.66851400    -16.57158045
  H     11.86240494     10.09118471    -11.15974339
  O     16.32502614      7.80465414     -9.16449737
  H     16.30386909      6.49707900    -14.37939550
  H     11.94271102     10.07430417    -12.69203611
  O     14.10272552     12.50923630    -12.10987731
  H     15.85659581      5.06237895    -14.03056744
  H     12.20328654      7.44049524    -11.10494307
  O     15.27290256      9.22705078    -12.01095141
  H     14.86001226      9.63327428    -13.66599175
  H     12.39258364      7.58295035    -12.63454356
  O     18.60072839      8.96428583    -15.16330209
  H     14.81337657     10.75074864    -14.73528049
  H     11.78799849      5.84552236    -15.00889949
  O     12.03428969      4.71208881    -13.45439564
  H     15.09922515      9.09336905     -9.17072716
  H     12.63076862      6.40605935    -16.16806886
  O     18.60229730      7.31506955    -12.81463343
  H     14.80618168     10.62389844     -9.30786100
  H     16.49886579     11.72660160    -10.26701128
  O     12.05110623     10.64815795    -11.92207563
  H     13.68128711      4.22088020    -14.29838736
  H     16.19229733     12.86627071     -9.26678930
  O     12.46337267      6.95628576    -11.89810988
  H     14.42025897      4.63764877    -15.58385912
  H     15.53188806      8.50865007    -15.37839698
  O     11.82626622      6.55937793    -15.65723760
  H     12.80211750      9.08074901     -9.51388080
  H     17.00413982      8.14050516    -15.66221132
  O     15.78544593     12.17270495     -9.77964319
  H     11.39581939      8.72925503     -8.97457400
  H     15.09687195     13.30001978    -14.97917037
  O     16.10316521      7.79709066    -15.70504848
  H     15.95562243      7.19887264     -9.82353364
  H     14.89603830     12.56892910    -13.62984693
  O     15.34677238     12.51902105    -14.49364281
  H     17.22431801      7.98908920     -9.45862768
  H     16.77130753     10.14571570    -11.61683173
  O     17.52484177     10.65531417    -11.27800871
  H     13.34513694     11.91129806    -12.02059098
  H     18.12188503     10.00423535    -10.88866360
          69
 Energy    -251.08046837677605     
  O     -5.33041068     -0.84818240      0.60611793
  H     -5.16362594     -1.10574088      1.52159306
  H     -0.27276939      0.21777841      2.71853231
  O     -6.57566859      0.96682228     -3.46942079
  H     -5.28689003      0.11874787      0.58814013
  H     -0.03953593      3.86821290      1.42411601
  O     -4.50154413     -1.33782040      3.23621627
  H     -7.43312752      1.09074212     -3.86703931
  H      0.41883030      4.83516964      2.53993757
  O      1.01384519      0.30425346     -0.15680366
  H     -6.65062733      0.20119404     -2.87120755
  H     -2.12133624      4.71931061      1.95408703
  O     -1.44497618     -0.21060017     -1.42927870
  H     -4.86235146     -1.81312174      3.97992822
  H     -3.05639357      4.83124686      0.72332897
  O     -4.17174803     -0.23729705     -4.46013180
  H     -4.32038776     -0.43211342      3.54520506
  H     -4.01585167      1.82355826      0.60190090
  O     -3.21765068     -2.16492858     -0.67229241
  H      1.88700255     -0.04643949     -0.30782126
  H     -5.22071432      2.44912017      1.34215120
  O     -2.44892106      1.64377227     -3.17187380
  H      0.73240019     -0.00874103      0.72412566
  H     -4.25319432     -1.80867243     -3.67814268
  O     -4.80710701      2.63185392     -2.05005245
  H     -1.94266108     -0.99473463     -1.15817579
  H     -4.41512111     -3.34167563     -3.80718280
  O      0.11670484      3.00814917     -0.13188011
  H     -0.55784290     -0.23147645     -1.05059612
  H     -1.73887746      1.57087602      2.27069524
  O     -0.77774424      3.74746867     -2.67730765
  H     -5.01057503      0.20610982     -4.27993037
  H     -0.92962991      2.59654875      3.08113554
  O      0.09627391     -0.51562947      2.21174507
  H     -3.48572190      0.38594509     -4.19216852
  H     -2.85665840     -1.94738421      2.44324238
  O     -0.28029734      4.23586479      2.29154740
  H     -3.94487906     -1.69488705     -0.23736921
  H     -2.39045430     -2.36977179      1.03958895
  O     -3.04272155      4.81380181      1.69189727
  H     -3.56018186     -2.46306597     -1.52416277
  H     -2.07697328      0.86596554     -0.07932243
  O     -4.98514266      1.89080734      0.59250404
  H     -2.08120516      0.95468522     -2.59666582
  H     -1.65914640      2.29840601      0.27980970
  O     -4.40068985     -2.62885770     -3.17427513
  H     -3.26065655      1.97267448     -2.75671913
  H     -4.36201590      4.02912204      2.47593874
  O     -1.34019888      1.72672432      3.14168762
  H     -5.47905901      2.18037869     -2.57504237
  H     -5.71103859      4.16970234      3.22075757
  O     -2.07521996     -2.19492646      1.93446312
  H     -4.96719752      2.38307348     -1.12747936
  H     -6.28018896     -1.14963483     -0.96934276
  O     -2.28057260      1.59932120      0.51438627
  H     -0.07470793      3.29652927     -1.03381347
  H     -5.94188071     -1.83881374     -2.30638026
  O     -5.11052593      3.52865512      2.85121150
  H      0.49361849      2.11903358     -0.17581864
  H     -2.99491349      1.37598583      3.90224258
  O     -6.56891775     -1.23663313     -1.88768332
  H     -1.33177964      2.99772017     -2.95562333
  H     -4.39786686      1.98044263      3.71499518
  O     -3.93639312      1.19158665      4.02261219
  H     -0.45298751      4.16037500     -3.47310532
  H     -2.26372435      4.52876294     -1.63857617
  O     -3.04192984      4.66260233     -1.08802579
  H     -0.60842562     -1.17827006      2.14881653
  H     -3.72910629      4.10142409     -1.46996932
          69
 Energy    -251.07765236123333     
  O     12.23483909     11.19026182    -13.48693203
  H     12.44276660     10.61663296    -14.23828019
  H     20.47729780      7.42166073    -14.22383825
  O     15.85235030      6.63128060    -13.35623329
  H     12.88399521     11.90192316    -13.51577894
  H     15.20674725     11.59915636    -16.66764512
  O     18.03980219     10.10971412    -11.23132631
  H     15.33913692      6.55986902    -12.54040570
  H     16.49757754     12.07938360    -15.94996857
  O     18.35185759     11.75770687    -15.74649831
  H     15.68650716      7.52363636    -13.69960375
  H     14.72128257      9.28411996    -14.77144094
  O     12.13964807      6.88386601    -15.15397735
  H     17.22065534     10.49781585    -11.57707148
  H     16.27694201      9.14991132    -14.95724634
  O     14.24165343      9.50171299    -10.38839807
  H     18.05077614      9.18471388    -11.51219264
  H     11.80289644     10.25438050    -12.11362267
  O     14.58732333      6.76848900    -10.87695965
  H     18.76408217     11.53184231    -14.89334478
  H     10.77975956      9.96210584    -10.98834334
  O     15.64643224     10.97642671    -12.27802295
  H     18.97064899     12.31962844    -16.20645095
  H     17.37773933      6.03859681     -8.71778472
  O     15.84157418      7.99348759    -17.62779003
  H     11.34442280      6.41144063    -15.38531884
  H     16.95933653      7.45649354     -9.17677672
  O     17.84252511      9.00508363    -15.96050061
  H     12.16800269      6.92328891    -14.18085535
  H     12.95053888      6.81045673    -11.88736111
  O     14.77452995      6.06875703    -15.92775896
  H     13.29917478      9.59911499    -10.57072381
  H     11.93919020      7.95523197    -12.08388018
  O     19.76254796      8.03985781    -14.09314754
  H     14.70065231     10.05761941    -11.03487568
  H     19.11645043     10.76950441    -12.63933410
  O     15.54719657     12.23111502    -16.02408811
  H     15.34681799      6.49883991    -10.34851549
  H     19.81289057      9.93876369    -13.71992875
  O     15.56240075      9.17606823    -14.30849141
  H     14.47475049      7.71694643    -10.70996994
  H     17.39050376      7.04468981    -12.54135177
  O     11.61064501      9.67292387    -11.35495016
  H     15.26699486     11.78742908    -12.63354780
  H     17.96290554      6.98299147    -11.11291079
  O     17.09740963      6.53991616     -9.47848719
  H     15.63289256     10.33043493    -13.00252256
  H     17.23071811      9.62202546     -9.54318056
  O     12.23092328      7.11245835    -12.45390441
  H     16.65850772      8.24526048    -17.17809592
  H     15.74873371      9.34140071     -9.23710506
  O     19.55608030     10.84168676    -13.49637435
  H     15.46646196      7.26270501    -17.11469103
  H     14.19197746     10.43670515    -18.73643355
  O     18.13884979      7.33054216    -11.99514335
  H     18.50516627      8.59383559    -15.39235593
  H     14.94447554      9.43309163    -17.82840457
  O     16.64670952      9.15507080     -8.93131736
  H     18.06543456      9.94344284    -16.01794851
  H     14.77972623     12.77911957    -14.56498673
  O     14.43233674     10.26335418    -17.83060723
  H     13.84796009      6.24319563    -15.72330403
  H     14.38851208     13.99657369    -13.69450385
  O     14.39624445     13.04356346    -13.70906919
  H     15.22186919      6.05609195    -15.07226203
  H     12.70409839      8.59867039    -15.53760902
  O     13.06242067      9.49593436    -15.52406239
  H     19.26620461      7.73116829    -13.31673191
  H     13.37274197      9.72922480    -16.40804361
          69
 Energy    -251.07681104043849     
  O     10.02318306     11.27733498    -10.82311416
  H      9.20097604     11.75965067    -10.86044008
  H     11.97468217     12.41002275    -13.54427959
  O     14.81896204      9.08991664    -14.88977197
  H     10.51628275     11.50277129    -11.63012034
  H     15.92244242     12.02678595    -14.50218174
  O     10.54382852      8.47081961    -10.90715765
  H     14.93169198      9.49852129    -15.75582973
  H     15.54099072     12.07558105    -16.00431340
  O     14.12648832      7.15160922    -12.88545162
  H     15.36424155      9.60585458    -14.27766877
  H     16.86692639     10.75321135     -9.86824373
  O     14.25466530     12.44290467     -9.21418380
  H     10.26106841      9.39237535    -10.87794934
  H     15.73994465      9.72115423     -9.64295904
  O     14.89817387     10.77809952    -17.21132337
  H     11.12125575      8.34665987    -10.14333107
  H     14.19099378      9.53471089    -10.99822626
  O     11.26095836      7.25269244    -13.20708385
  H     13.17106112      7.07624421    -13.00104919
  H     14.42148788      8.04565271    -11.34460467
  O     12.42840923      8.37267055     -8.79607820
  H     14.44684767      7.64840131    -13.64839676
  H     14.20227694     15.24025170    -11.96207894
  O     13.92468878     11.19568718    -11.68807504
  H     14.96165737     11.79474110     -9.07356826
  H     14.89080715     15.42428835    -13.32214866
  O     11.90439544     11.17952722     -8.65781785
  H     13.41980316     12.06241268     -8.90203445
  H     17.77698664     12.39577125    -11.30541519
  O     17.21566280     14.01417097    -11.55500909
  H     13.96888991     11.05053890    -17.10148273
  H     18.97377108     11.43190814    -11.11459416
  O     11.54886942     11.69881627    -13.04501201
  H     15.03425492     10.62792062    -18.14266354
  H     13.90699264     13.11636693    -14.79448411
  O     15.69031934     12.62696764    -15.22765369
  H     10.67491019      6.51709533    -13.36246403
  H     13.20706972     14.21180518    -13.98128563
  O     16.18259251     10.48131340     -9.24414621
  H     10.97819820      7.66612514    -12.37144989
  H     14.61507671     14.03724047     -9.79906500
  O     14.43281643      8.67951479    -10.61382708
  H     12.66725034      7.76543427     -8.10095974
  H     14.82023202     15.54031942     -9.50977426
  O     14.02433435     15.39818450    -12.89713660
  H     13.18925930      8.42249453     -9.40079469
  H     16.89912067     10.93261568    -12.60274443
  O     18.02679860     11.45710234    -11.22156533
  H     13.07846990     11.39380663    -12.10357012
  H     15.35412287     11.00962403    -12.66505295
  O     13.03316593     13.45387337    -14.55902408
  H     13.99498717     11.71174378    -10.87468230
  H     12.40824711     12.31608885    -16.02292354
  O     14.86945143     14.88551270    -10.20182561
  H     12.05534905     10.22923806     -8.57993030
  H     12.07255598     10.81096008    -16.02583025
  O     16.14751494     10.84106286    -13.19868532
  H     11.22349736     11.28299937     -9.33352707
  H     17.04221816     15.54004661    -14.79518917
  O     12.36946910     11.53689446    -16.59168081
  H     17.10111105     14.37425523    -12.44257884
  H     16.31060109     14.18873213    -14.62939672
  O     16.58551322     14.99421297    -14.16013159
  H     16.46879923     14.34182697    -11.03870915
  H     13.00621620      9.36966354    -14.68665289
  O     12.04952665      9.51016615    -14.64331845
  H     11.63198234     10.89535573    -13.57969686
  H     11.67566381      8.71414653    -14.24550153
          69
 Energy    -251.07565589727795     
  O     12.42188693     12.64437788    -12.93175929
  H     12.29686156     13.56737936    -12.72672093
  H     16.52144807      5.91060156    -13.62594268
  O     19.10939782      9.31488515    -11.91044358
  H     13.26894287     12.57277657    -13.40458091
  H     17.63336851     11.59139108    -16.63658182
  O     15.56345027     10.18785734    -11.13029826
  H     19.07321770      9.37201326    -12.87636254
  H     18.99661246     12.31651079    -16.73120435
  O     11.24696895     11.09967211    -15.09565782
  H     18.79201634     10.16632763    -11.59035281
  H     13.78806199     10.09831976    -16.40276871
  O     14.19028080      8.41707398    -15.35001013
  H     15.74286026      9.26055487    -10.91402779
  H     12.66293376     11.12809088    -16.26668543
  O     14.72009689      6.39569374    -13.38404562
  H     16.36275460     10.71360654    -11.00641049
  H     16.89315255      9.70283230    -14.07990943
  O     18.40433774      6.82161314    -11.17522953
  H     11.28368100     10.21543646    -14.70793675
  H     15.88201347      9.85219522    -12.89147894
  O     14.71850401     12.22524440    -14.39002669
  H     11.45821094     11.70154259    -14.37233931
  H     12.75125103      8.56712451    -10.60727103
  O     18.43847496      7.07588443    -15.95631476
  H     13.34254535      8.50340648    -14.89085660
  H     13.86257712      7.53793269    -10.31658251
  O     15.69372100      7.44576734    -10.93634173
  H     14.84164686      8.93076802    -14.84149933
  H     18.68037279     10.29474366    -15.20323676
  O     16.29025172     10.96782628    -17.50105158
  H     14.59303925      7.00826077    -14.11899128
  H     18.64763586      8.72516913    -15.16890903
  O     17.48175797      5.89427582    -13.72706541
  H     13.83517312      6.13075773    -13.10325218
  H     17.81321522     12.63860996    -14.48739473
  O     18.41680424     11.86507798    -16.12398215
  H     19.08120560      6.43423351    -10.62729333
  H     16.42344380     12.92931524    -13.91442262
  O     13.55571738     11.00794173    -16.62374359
  H     18.70465434      7.71996913    -11.40552551
  H     18.19817069     12.47522512    -10.66705386
  O     15.96028146      9.79809603    -13.85170281
  H     15.20160451     11.42341199    -14.14068552
  H     17.71671634     12.21568024    -12.11227885
  O     12.90351633      7.64864246    -10.34792278
  H     14.31971140     12.00631638    -15.24263982
  H     12.57650250     11.08541138    -11.90888299
  O     18.63493995      9.52297489    -14.62425729
  H     19.05270317      6.49334983    -16.39504394
  H     13.79206171     10.28101640    -11.39333234
  O     17.36089870     12.92075822    -13.68270994
  H     18.10754268      6.59921984    -15.17371020
  H     16.95227701      7.75538893    -16.92725895
  O     17.86521485     11.79503599    -11.24668572
  H     16.61380539      7.16024490    -10.87405144
  H     15.45589639      8.08908030    -16.75088285
  O     12.84444964     10.21681308    -11.58489879
  H     15.36902899      7.12771999    -11.79098162
  H     11.80101861      7.78505528    -13.40373148
  O     16.20846690      8.20650387    -17.34393611
  H     16.32970139     10.00078647    -17.55866855
  H     12.27164988      9.20114697    -12.99974982
  O     11.94745212      8.67432188    -13.74576142
  H     15.35730659     11.18261424    -17.40026023
  H     11.44566512      5.45432818    -12.20657304
  O     12.06357955      6.14130199    -12.44023167
  H     17.84977527      6.13429265    -12.86833023
  H     12.28752737      6.61505551    -11.61839017
          69
 Energy    -251.07541728990435     
  O     14.99487234     11.33478419     -9.95989390
  H     15.10091325     12.02196367     -9.30801962
  H     12.73543557      7.49641677    -14.45339411
  O     12.26559895      6.98628716    -11.30235194
  H     15.86542214     10.90724272    -10.06276906
  H     15.61943731      4.79310592    -15.03412748
  O     17.26066576      9.62804203    -15.34157875
  H     12.75052144      7.55867327    -10.69315116
  H     14.61465832      5.84851631    -14.47411633
  O     17.70121775      8.71272743    -12.73518440
  H     12.82019613      6.20904447    -11.44100194
  H     16.74995299      5.71891962    -13.41122240
  O     15.84389000     11.94108009    -14.97678893
  H     16.95602488     10.53437649    -15.18899631
  H     18.25862345      5.77078765    -13.72314826
  O     14.05101111      8.64320589     -9.89794363
  H     16.51280875      9.18644893    -15.76757685
  H     14.64740786      8.48484994    -11.67422317
  O     14.99414555      8.63997160    -16.67191451
  H     17.65534152      9.06880729    -13.63294078
  H     15.91193127      8.61173378    -12.58237074
  O     13.64966271     11.09830120    -16.67853384
  H     17.78696186      7.75139122    -12.81195128
  H     14.39441710      4.76965284    -12.65757006
  O     16.62023565      4.47892010    -16.55459166
  H     15.16022006     11.80239251    -15.64353574
  H     13.69311750      3.82683043    -11.65664481
  O     11.20222141      8.09788302    -13.54792718
  H     15.38357040     11.87040872    -14.12980957
  H     12.79801763     10.98957228    -13.74457671
  O     16.43211686      5.60355490    -10.52652991
  H     14.18280323      9.59852230     -9.84948390
  H     11.81254033      9.84971607    -14.10009392
  O     13.67051349      7.34765554    -14.63151412
  H     14.78348688      8.24630180     -9.40716741
  H     16.46456740      6.85453389     -9.36448742
  O     15.18020792      5.09993078    -14.23086071
  H     14.47335001      8.15149282    -16.01878084
  H     16.67960593      7.29918291     -7.89777859
  O     17.60596327      5.96254793    -13.03468152
  H     14.54283273      9.48222730    -16.81023586
  H     18.32763200      5.06549129    -15.77996848
  O     14.94622549      8.58210876    -12.58650757
  H     13.06672698     10.94681428    -15.91257871
  H     19.15328948      6.36651582    -15.78197491
  O     14.00276472      4.72298857    -11.76949343
  H     13.15495866     11.62551460    -17.29985702
  H     17.12327784      9.12334712     -9.67487706
  O     12.19121761     10.67269519    -14.42834180
  H     16.61838968      5.30064474    -17.07864154
  H     17.57121638      9.57524711    -11.08143786
  O     16.40221503      7.61211470     -8.75415315
  H     16.60374951      3.75654107    -17.17673458
  H     17.59877309      7.25001678    -17.62747799
  O     19.04299128      5.52434291    -15.32277184
  H     11.53566294      7.72849153    -12.71055884
  H     16.07283161      7.47099711    -17.58235024
  O     17.28418722      9.90450194    -10.21929022
  H     10.27664935      7.87362415    -13.59415584
  H     18.52766890      8.69034035    -16.19570470
  O     16.75493546      6.84078656    -17.85444023
  H     15.58209176      5.27124195    -10.83749080
  H     19.81523649      8.55285067    -17.03627715
  O     19.07558399      8.05906149    -16.69099282
  H     16.99228411      5.67502473    -11.31116422
  H     14.46885738     11.50999559    -11.76886214
  O     14.30205510     11.28372232    -12.69054448
  H     14.14576818      7.79018357    -13.90764411
  H     14.52833605     10.34448892    -12.76476048
          69
 Energy    -251.07400434762755     
  O     17.04228392      5.34744636    -13.14390453
  H     17.06283832      4.43223743    -12.87604397
  H     18.71913757      7.79830094    -11.85340071
  O     15.46116872     12.92014560    -12.08657434
  H     17.16170326      5.35632399    -14.10988886
  H     20.34670060     10.30154266    -17.40243173
  O     21.26430327     10.54900894    -14.23032917
  H     16.04855145     12.99674183    -12.84951051
  H     20.75795967     10.89663070    -16.03419715
  O     15.51307443      7.02934839    -17.35909858
  H     14.60622472     12.64551245    -12.44139507
  H     17.83899219      9.10924638    -16.48556266
  O     13.84694814      9.66115979    -11.46965150
  H     20.35983282     10.65251914    -13.88864680
  H     18.63573196      8.10708573    -15.63159233
  O     15.52976907      7.58316837    -12.37655875
  H     21.83559660     11.05099459    -13.65414138
  H     16.87245869     11.98104946    -17.55901174
  O     16.92755282     12.66490144    -14.48002195
  H     14.68096742      6.70668829    -17.69651594
  H     15.55739971     11.34948910    -17.04800407
  O     21.16163238      7.65697275    -14.17595092
  H     15.31780144      7.48979875    -16.52506424
  H     17.08652100      9.87129686    -10.87826052
  O     15.39975464      8.42715534    -14.99828604
  H     14.26515687      8.83780614    -11.75204491
  H     17.94952182      9.78036642    -12.16232678
  O     19.79191913      6.79966340    -16.32910012
  H     14.48140222     10.08892806    -10.88061393
  H     15.81733240     11.81454267    -10.78068007
  O     17.42649487      5.44222166    -15.82986432
  H     15.93985019      6.73016974    -12.56914195
  H     15.93805722     11.53802893     -9.26247687
  O     19.19744571      7.09407877    -12.30749571
  H     16.23888821      8.15455998    -12.04340074
  H     18.06045050     11.42436359    -13.80457520
  O     20.34524445     11.11142032    -16.87976573
  H     17.43528291     12.90687954    -15.26457861
  H     18.43558591     10.00133598    -14.29333104
  O     18.03625810      8.86169774    -15.57376602
  H     16.18197527     12.12807576    -14.78911168
  H     12.18772044     11.87012377    -13.02722091
  O     16.16492234     11.36940430    -17.79864391
  H     21.30682243      8.60852237    -14.16153156
  H     13.30322304     10.89793132    -12.57314777
  O     17.55889228      9.25386340    -11.44948316
  H     20.54666287      7.45470155    -13.45341860
  H     20.39718560      8.59899029    -19.33710025
  O     15.92430986     11.11151023    -10.11491262
  H     16.35392625      8.54285020    -15.13140683
  H     19.08872009      8.79534069    -18.53528671
  O     18.60420347     10.65423451    -13.59510126
  H     15.29535857      8.11427722    -14.09092749
  H     14.10059629     11.35265875    -14.69123974
  O     13.10838776     11.65693993    -13.15246727
  H     20.40066455      7.01138874    -15.60173256
  H     14.93172627     10.16453155    -15.22882591
  O     20.05509058      8.71224566    -18.45372741
  H     20.03221180      7.34756011    -17.08437271
  H     18.69134458     13.73639216    -17.32994468
  O     14.77046643     11.11189913    -15.34330364
  H     16.80265954      5.86543899    -16.42824563
  H     19.07986401     12.30736485    -16.88778156
  O     18.35896938     12.96185028    -16.88361081
  H     18.30235980      5.78451499    -16.06199225
  H     16.70958276      8.28160729    -18.13934248
  O     17.34418893      8.98731627    -18.31268362
  H     18.52954088      6.44883321    -12.56622974
  H     16.87439382      9.83484767    -18.25825310
          69
 Energy    -251.07306078223871     
  O     17.91589488      4.31879333    -11.01928030
  H     17.09340611      3.90142576    -11.31764140
  H     16.49473205      9.19963604    -14.81779623
  O     17.64315647     10.19921417    -13.74461933
  H     17.73619549      4.70383316    -10.15617388
  H     11.76828015      5.39269207    -13.79608673
  O     13.06096127      7.64000417    -12.02185067
  H     18.26155765     10.88136672    -13.99219202
  H     13.20260686      4.86351060    -13.53748966
  O     10.93133114      6.05071831    -15.30611482
  H     18.14136854      9.54632888    -13.21960588
  H     16.32460134      7.39483738    -11.08860753
  O     15.43266238     10.65186951    -11.98153144
  H     12.71167545      6.81489770    -12.38031452
  H     15.32566538      6.23564166    -10.89251059
  O     17.50802504      8.12754061     -9.83851351
  H     14.00836759      7.48462092    -11.88121072
  H     18.78087592      5.14991967    -12.25053840
  O     18.92944911      8.38830849    -12.21947426
  H     11.22976487      6.96178056    -15.47918756
  H     19.96474273      5.14935412    -13.24694148
  O     13.33955812      5.18274538    -16.68240919
  H     10.03381311      5.99240289    -15.62236792
  H     14.01559684      8.68678122     -9.20532687
  O     17.15199801      5.64089399     -8.53535169
  H     14.69397203     10.45943471    -12.57224903
  H     13.03079573      7.96986488    -10.14703298
  O     11.95183705      8.49373401    -15.88671916
  H     16.22528750     10.57474621    -12.52549727
  H     13.93200829      4.89351838     -9.68483190
  O     14.31857504      7.81821227    -17.33207844
  H     17.46545247      7.34431117     -9.27456851
  H     14.07712481      6.36217121     -9.16196266
  O     15.87319703      8.55677258    -15.18138313
  H     16.85401607      8.76675297     -9.52497136
  H     14.33649629      9.23723566    -14.31620275
  O     12.38353093      5.13797664    -13.09694697
  H     18.56655819      8.34595936    -11.32401810
  H     13.28831077      8.95256201    -13.20601935
  O     15.65666300      6.86760769    -11.54338999
  H     19.11175283      7.47836390    -12.48231692
  H     15.40042742     10.75809195     -8.84287605
  O     19.20065214      5.64984348    -12.97543905
  H     12.46452119      5.38684210    -16.33128693
  H     15.41317143     10.24355115    -10.30118617
  O     13.35396271      7.98468033     -9.23570119
  H     13.70596899      6.02526326    -16.97829205
  H     12.60528030      4.25129251    -11.55663690
  O     14.54927779      5.52491396     -9.29767513
  H     17.32241351      5.26570681     -7.67526126
  H     12.20947845      3.15355067    -10.54469472
  O     13.57239614      9.61340735    -13.85723011
  H     16.19977178      5.53247939     -8.70625953
  H     17.57734544      5.97543629    -13.83650377
  O     15.43879883      9.96275006     -9.36787519
  H     12.66880855      8.32647487    -16.51134735
  H     16.28263185      6.41234752    -13.11851246
  O     12.89037977      3.78903916    -10.75076562
  H     12.34828001      9.02204558    -15.18211305
  H     15.26904806      3.48036326    -12.85452625
  O     16.65489257      6.20858480    -13.99212092
  H     14.92185090      8.11098356    -16.62892892
  H     14.66533409      3.28601627    -11.45909025
  O     15.50042479      3.28089898    -11.93759785
  H     14.69313934      8.11879322    -18.15638580
  H     15.41609476      4.96230058    -14.36609845
  O     14.68078957      4.33679113    -14.43484186
  H     16.14405689      7.69660068    -14.82668920
  H     14.26843079      4.49133452    -15.29698454
          69
 Energy    -251.07057217552716     
  O     11.59384938     10.75017810    -12.44804686
  H     12.14852395     11.53096155    -12.33918083
  H     13.82310728      7.24109985    -16.50620276
  O     15.99296936      7.26608640    -14.26923943
  H     11.58748289     10.55255395    -13.39520944
  H     15.58072987     12.91434011    -14.66417987
  O     17.87280478     10.79414373    -12.35118437
  H     15.76319477      6.78074029    -13.46736039
  H     14.24592648     12.70802147    -15.43316145
  O     17.46620271     12.55339684    -14.44459285
  H     15.45270597      8.07042692    -14.25134501
  H     15.02841380      9.85042290    -15.21108075
  O     12.08942512      7.31212593    -15.67031988
  H     16.93646850     10.78917353    -12.09944275
  H     13.69738863      9.75840029    -14.44019509
  O     17.03276829      7.97753058     -9.22919638
  H     18.36482081     10.46238207    -11.59005887
  H     10.98749643      8.39347734    -10.46123909
  O     15.13907807      6.20984545    -11.85025560
  H     18.07025187     13.29202778    -14.40293188
  H     11.68522030      9.32544778    -11.48099214
  O     15.18394160     10.74203133    -11.88744586
  H     17.67056402     11.98825018    -13.68126244
  H     19.19505983      7.60471888    -12.74009230
  O     17.95224001     10.39724687    -16.28550306
  H     11.43064867      6.69866757    -15.98579535
  H     19.45947325      8.00636978    -11.28072366
  O     17.61674329      5.56906873    -10.68817222
  H     12.28212598      7.06326187    -14.74764727
  H     13.43990189      6.36993866    -12.72412698
  O     15.38500724      9.93709153    -17.04481787
  H     16.12157438      8.18840438     -9.47196454
  H     12.25367926      7.28892770    -12.38123462
  O     14.74069414      7.28311760    -16.80227356
  H     17.20284607      7.09450600     -9.58002102
  H     17.60429111      8.08415950    -14.21030718
  O     14.63964577     13.12827580    -14.66007694
  H     14.94211755      7.00769067    -11.33758352
  H     18.19726584      9.35022914    -13.52518545
  O     14.65424642      9.68964619    -14.33491085
  H     15.94217521      5.83742787    -11.46548429
  H     19.61318524      9.80247543     -9.42210334
  O     11.77683279      8.49049566    -10.98701527
  H     15.01375433     10.36328114    -12.76571528
  H     18.31717894      9.02862074     -9.76165315
  O     19.40286026      7.24346205    -11.86836535
  H     14.63687416     11.53363040    -11.82630832
  H     14.12708937     11.11456988    -17.06452093
  O     12.61738590      6.72923697    -13.07812974
  H     17.85356719     11.19965508    -15.75904619
  H     13.19855763     12.16642459    -17.71999796
  O     18.40756231      8.61938141    -14.12270283
  H     18.25376224      9.71611485    -15.66975699
  H     14.78270561      9.32282489    -10.85676512
  O     19.05671953      9.53253599    -10.14762925
  H     18.04848390      4.75946384    -10.42940632
  H     13.55981659      8.48199448    -10.43154048
  O     13.40252442     11.74293838    -16.89036664
  H     18.28058863      6.10101570    -11.16279331
  H     13.84403460     13.04122773    -13.12081875
  O     14.52274601      8.52091334    -10.38050109
  H     15.20234567      8.98826201    -17.11459270
  H     13.30310217     13.78321793    -11.87477551
  O     13.45549553     12.91447721    -12.23601415
  H     16.33663435     10.06817200    -16.92252798
  H     11.92370303      9.14983526    -15.44252661
  O     11.97425802     10.05590609    -15.10833089
  H     15.27009183      7.05598172    -16.02580249
  H     12.32301635     10.62681785    -15.80498776
          69
 Energy    -251.06997156862064     
  O     12.38829492      9.78756751    -10.89051935
  H     12.53061167      8.89803468    -11.23474709
  H     14.22313854     14.68656658     -6.61099022
  O      9.61716231      7.28554016    -11.91601599
  H     13.02161675      9.93962683    -10.17861298
  H     11.48984983     12.91315020    -11.00273517
  O     12.34772642     12.09913880    -12.34667830
  H      8.97546678      6.62615371    -12.16379312
  H     10.06672679     12.94070081    -10.39945726
  O     14.03078865     10.44261879     -8.70186912
  H      9.75415720      7.85661097    -12.69706301
  H     11.21013194     10.50109208     -7.54621893
  O     14.50329013      7.21902636    -10.02833640
  H     12.35287211     11.22624401    -11.92382467
  H     10.38540966      9.48164743     -8.36032918
  O     15.04557284     15.15234801    -11.39083564
  H     13.27426259     12.34025478    -12.45982000
  H     13.28225043      7.59203593     -6.73876045
  O     15.09923672     12.52122064    -12.39710051
  H     13.89505519      9.62300061     -8.21093752
  H     12.33107471      8.49232131     -7.55824826
  O     16.02962534     13.79369023     -9.05591649
  H     13.36939135     11.07900862     -8.39534778
  H     15.43250021     10.97187461     -9.59643691
  O      9.75448811      9.47783849    -10.15278212
  H     14.05829686      7.38580038     -9.19004798
  H     16.48218297     10.36890631    -10.54133499
  O     12.82961945     15.31187470     -9.81948369
  H     13.80659542      7.02302374    -10.67068041
  H     11.13616173      8.80335086    -14.22705809
  O     15.02307541      9.85680100    -13.44468072
  H     15.25262244     16.00955499    -11.75325103
  H     10.02222028      9.82261906    -13.86956735
  O     13.92369795     14.22077747     -7.38719270
  H     14.21222104     15.25160436    -10.89670020
  H      9.28691096     11.74009182    -12.66993137
  O     10.96941995     13.24696927    -10.25590336
  H     15.13187996     13.46585457    -12.20098463
  H     10.71587538     11.85365341    -13.22520274
  O     10.94115080      9.57349729     -7.57605974
  H     15.48024403     12.07801655    -11.62473567
  H      7.65955963     11.91257591    -10.58251010
  O     13.18402005      8.02269244     -7.58403440
  H     16.25658171     12.90938721     -9.37113031
  H      8.90957598     11.00197721    -10.55962164
  O     16.18037344     11.20558495    -10.16974551
  H     15.84170783     14.31432827     -9.84676745
  H     13.27846342      8.01343068    -15.25540048
  O     10.20752653      8.87829197    -13.98073754
  H     10.67398076      9.68347676    -10.38552547
  H     13.70571039      8.93900571    -14.09635918
  O      9.82245399     11.55841489    -13.44981239
  H      9.54106269      8.67901015    -10.65005588
  H     17.21277718      8.05020653    -11.40873510
  O      8.57870233     11.87407634    -10.83376822
  H     12.07862470     14.73158474    -10.00086678
  H     15.79207211      8.12109101    -10.80642559
  O     13.00161406      8.34056932    -14.40331812
  H     13.13157425     15.07690712     -8.93373910
  H     12.66719794      7.43617523    -12.82326913
  O     16.46470819      8.63023729    -11.29198985
  H     15.54469553      9.42505190    -12.75678912
  H     11.50710756      7.05220329    -11.86148718
  O     12.46493753      7.15780378    -11.91894078
  H     15.06457330     10.80298500    -13.26296657
  H     11.62670272     12.54653721     -8.70942600
  O     12.04930606     12.19689291     -7.91147843
  H     14.71585569     14.02912093     -7.92076855
  H     12.63421294     12.89349756     -7.58539407
          69
 Energy    -251.06980337624424     
  O     14.23795564     13.22584051     -8.36171211
  H     13.78305297     13.67611609     -7.65467304
  H     16.36667395     11.16812279    -13.25949676
  O     19.14837263      7.06323891     -5.94908672
  H     14.71113268     12.47697310     -7.95949063
  H     18.88517529      8.60777787    -11.61523886
  O     16.95059169      5.46187072     -6.09975203
  H     18.91596566      7.75977968     -5.32297546
  H     20.34202557      8.21130850    -11.28510892
  O     12.49642020      8.93529262     -9.15500706
  H     19.13459476      7.48384566     -6.82010063
  H     17.32110066     13.48139400     -9.33082716
  O     17.11665808     12.03488198    -11.95143265
  H     17.79947121      5.93162913     -6.01314845
  H     15.79176948     13.71558578     -9.38659728
  O     18.89028704     12.73977108     -8.41972069
  H     17.10765450      4.55522571     -5.85165743
  H     18.05780844      9.34734720     -3.43844661
  O     17.55451905      8.44149855    -12.71222247
  H     12.54089645      8.35383032     -9.92271104
  H     17.13107733      8.71989349     -4.50619077
  O     16.12424583      6.99958548     -8.30685164
  H     12.62936242      9.82550589     -9.50564571
  H     13.04344687      8.39149346    -12.13380897
  O     15.68951008     11.02999775     -7.59052315
  H     18.05247332     11.87451853    -11.75861167
  H     12.33926806      7.01230452    -12.14755014
  O     13.37653752     11.36523910    -10.36818985
  H     16.83572382     12.75079895    -11.36317841
  H     16.41296001     10.75191920    -10.80272568
  O     14.28136379      8.68658028     -7.08912776
  H     18.73060372     12.03649419     -7.77070024
  H     15.85676092      9.31111842    -10.51540676
  O     15.96560815     10.54543290    -13.89177691
  H     19.51653978     13.34030060     -8.02054622
  H     18.43175827      9.87544346     -7.35540479
  O     19.58781470      8.68660261    -10.94531773
  H     17.06906984      9.09767969    -13.22364336
  H     18.25531237     10.24964339     -5.86035374
  O     16.60231294     13.77369596     -9.90518867
  H     16.88938980      7.96998608    -12.18850017
  H     18.92233527      8.47232109     -9.24863041
  O     17.97771912      9.18418665     -4.37427269
  H     16.35657499      6.33566347     -7.64685521
  H     17.70634944      7.95277161     -8.41654590
  O     12.93701701      7.55609644    -11.64226877
  H     15.45733381      7.57423559     -7.90268075
  H     15.78395382      7.17473870    -10.07206281
  O     15.90605970     10.21448202    -10.18116791
  H     16.55568552     10.96485347     -7.17219314
  H     14.71154704      7.41248046    -11.18733187
  O     18.30815704     10.62287311     -6.74877567
  H     15.80645113     10.72803745     -8.50702215
  H     19.45381264     11.89112241    -10.06807405
  O     18.55771157      8.40761115     -8.35763746
  H     14.24576720     10.93462086    -10.35601690
  H     19.69051891     10.58165951    -10.87029737
  O     15.64682642      7.51121559    -10.96822687
  H     13.46607305     12.13087941     -9.79138679
  H     16.01459516      6.89301017     -5.17491132
  O     19.60645444     11.53947168    -10.95371919
  H     13.55684066      8.69650068     -7.73201887
  H     15.08713334      8.07389488     -5.52352272
  O     15.72125449      7.75843268     -4.86531864
  H     14.71539601      9.54806505     -7.15699470
  H     14.22803057     10.15606293    -13.21826623
  O     13.37641599      9.95439169    -12.81164019
  H     16.08734810     10.92212577    -14.75990585
  H     13.24812991     10.59562125    -12.09988410
          69
 Energy    -251.06953330026437     
  O     10.58274651      8.39106055    -11.01391961
  H     10.43848047      8.21317969    -11.96181564
  H     17.82107727      6.92301987    -15.67098158
  O     14.40154951      7.91306345    -15.70624215
  H      9.76971841      8.75239147    -10.67231161
  H     16.52283221     12.03812736    -14.09879936
  O     17.87867028      9.51541660    -10.42359830
  H     15.03091001      8.32173472    -15.08825845
  H     15.00548514     12.28252273    -14.18627640
  O     17.64781854     10.88584810    -15.11233526
  H     14.81989861      7.94674264    -16.57393630
  H     16.02399698      9.25425868    -13.03631444
  O     12.54451722      9.56800331    -14.55063796
  H     18.17768991     10.10571645     -9.73666822
  H     16.66438886      8.01051506    -13.76453576
  O     14.43865713      6.90915055    -11.46949204
  H     17.07395947      9.91127384    -10.80081365
  H     11.37965908      6.65521658    -10.75168566
  O     14.34067397      5.72356676    -14.02615854
  H     18.54340765     10.53583127    -15.16303847
  H     12.81081787      6.10269007    -10.88666681
  O     15.63552474     10.43852230    -11.62234766
  H     17.12544767     10.16526458    -14.72441426
  H     18.06094613      5.98562853    -11.21766798
  O     15.69593350     10.94759968    -17.10698302
  H     12.80732356     10.44145580    -14.86647506
  H     19.13440483      4.89583234    -11.46901991
  O     19.93599422      9.23867311    -15.02707461
  H     13.10243214      8.93796409    -15.03006814
  H     11.09758460      4.38364921    -13.64340236
  O     16.03666248      8.23295727    -17.95281851
  H     14.46798560      6.49901583    -12.34432950
  H     11.66568143      5.31968755    -12.55024950
  O     18.12616086      7.47298436    -16.40573672
  H     14.01138897      7.76895468    -11.58130971
  H     18.97099986      8.80586853    -11.81801483
  O     15.75767284     12.32940683    -13.58417072
  H     14.30275534      6.42436510    -14.69481134
  H     19.33069656      7.39448027    -12.31829848
  O     16.21323823      8.85477476    -13.89273594
  H     13.43640510      5.40342736    -13.92046805
  H     16.23659126      5.80861655    -14.05617423
  O     11.88026196      5.84036757    -10.88405042
  H     15.66789745     11.19397354    -12.23036865
  H     17.64497762      5.86344757    -13.37003059
  O     18.68915110      5.63329578    -11.87559354
  H     14.71276430     10.16449588    -11.54137219
  H     17.22233491      7.74789532    -10.16601637
  O     11.62520397      5.16721618    -13.51153461
  H     15.76586887     10.07631543    -17.51304159
  H     16.03493920      6.84063322    -10.58272189
  O     19.44865000      8.33224572    -12.50975306
  H     16.46861234     11.02579071    -16.52958183
  H     13.29479430     12.67777587    -16.00581148
  O     17.12135755      6.19127841    -14.11183856
  H     20.87937725      9.31933158    -15.13811760
  H     14.36021043     11.57080549    -16.17612772
  O     16.93743591      6.82853491    -10.23395235
  H     19.78887338      8.92570308    -14.11637534
  H     12.26204768      9.14732389    -11.40126682
  O     13.68632024     11.92601771    -15.56819162
  H     16.13166379      7.85576998    -18.82281761
  H     12.92929719      9.46781937    -12.76367451
  O     13.10585880      9.35944070    -11.81779185
  H     16.82457954      7.96689311    -17.44406754
  H     10.86007101      6.95192831    -13.78437682
  O     10.49155511      7.83597477    -13.66933490
  H     18.78495524      8.07024987    -16.03306164
  H     11.10283365      8.45305211    -14.09416471
          69
 Energy    -251.06864134636888     
  O     14.72086373     12.44358193    -14.70256622
  H     15.67805212     12.39602868    -14.60805388
  H     17.06871817      5.87688373    -16.20145304
  O     14.28595485      6.88793055    -13.63856944
  H     14.48788476     11.89089408    -15.46265251
  H     16.38813041      9.14685357    -15.17892083
  O     18.09784196      7.73447924    -11.87505071
  H     14.73256142      7.64868449    -14.04407670
  H     14.90987472      9.55822938    -15.26225006
  O     17.93617388      9.83292869    -15.97167843
  H     13.74715465      7.23263510    -12.91567052
  H     13.61357471     12.21887566    -13.39729870
  O     11.78001781      8.93664524    -16.27568408
  H     17.56639448      7.00518150    -12.22710633
  H     12.49534330     12.83889428    -12.52732798
  O     15.20294663      8.63966884     -8.81767121
  H     18.07669886      7.64635131    -10.91406949
  H     16.58531470      5.88812864     -9.79520411
  O     12.87335193      8.07304186    -11.57053586
  H     18.49967948      9.20366921    -15.49501134
  H     16.17534824      5.24260398    -11.13501525
  O     16.68161115     10.03860224    -12.45149372
  H     17.92550366     10.65575176    -15.46904582
  H     12.11105779     10.48053779    -13.37080576
  O     15.82444324      6.36106454    -17.45069495
  H     11.73424000      9.16577865    -15.32925032
  H     11.98316438      9.00656571    -12.94843118
  O     13.54730975      6.37279808     -9.44842986
  H     10.89462717      9.01753881    -16.62011025
  H     18.96430355      7.86339174    -13.57205926
  O     13.41394308      6.59774984    -16.26075633
  H     14.55828445      7.92626595     -8.90326170
  H     18.74680625      7.07052036    -14.87740754
  O     17.72545419      5.58658218    -15.54916871
  H     14.91059527      9.33727933     -9.41831048
  H     15.72195754      6.00062288    -13.14552785
  O     15.53847136      9.05740721    -14.72735974
  H     13.40428602      8.84658277    -11.33052165
  H     17.01610409      5.45443286    -13.78082156
  O     12.97978396     12.03207607    -12.68129905
  H     12.95824377      7.44632132    -10.84154508
  H     16.78186374      7.90922229     -8.98800241
  O     15.93099733      5.30727731    -10.20271435
  H     16.17612346      9.72512672    -13.21860985
  H     18.10023266      7.43619199     -8.33024703
  O     11.77403604      9.62422564    -13.66028112
  H     17.24000744      9.29796196    -12.18002427
  H     16.84754401      9.49789478    -17.45199668
  O     19.15332689      7.86908823    -14.51878028
  H     14.94349931      6.43865837    -17.04141754
  H     16.02330056      8.26469841    -17.85515824
  O     16.59010750      5.62232048    -12.93322315
  H     15.69563744      5.90851222    -18.28122231
  H     13.87965366     10.99831733    -11.40826671
  O     17.59891495      7.40103824     -9.14026354
  H     14.35821816      5.91827109     -9.73927763
  H     15.24704129     10.27768195    -11.39467238
  O     16.08943278      9.21738657    -17.98491609
  H     13.07607764      5.76282409     -8.88752802
  H     18.14562283     12.65926638    -13.79583742
  O     14.39772979     10.33707482    -10.93273747
  H     13.60225630      6.53646725    -15.31364011
  H     17.32255437     11.39780974    -13.44592442
  O     17.53956991     12.01936085    -14.16127791
  H     12.81280890      7.34564626    -16.35796746
  H     13.25419435     10.02716483    -16.64922545
  O     14.08092319     10.52292856    -16.61133420
  H     18.21894246      4.87877731    -15.95845904
  H     14.71069038     10.11452228    -17.22546985
          69
 Energy    -251.06782538804453     
  O     17.68672268      8.13284197    -12.77605214
  H     18.10121983      8.20185101    -11.90612482
  H     12.24358946     10.61625944    -13.31142817
  O     12.81134355     11.33159996    -11.82963283
  H     16.95691498      8.77579724    -12.77981746
  H     15.44925482      6.15669440     -8.14596539
  O     18.81115673      9.43357681    -14.90820410
  H     13.04522290     10.59954136    -11.24370195
  H     15.80829302      6.45096712     -6.67036153
  O     15.88785206      6.03045095    -12.94578430
  H     13.60208709     11.88601348    -11.87511790
  H     13.74291342      8.17345007    -10.82204034
  O     18.58730308      8.57235064    -10.20804983
  H     19.46230163      8.90993574    -15.36825224
  H     14.58163947      9.30723443    -11.44537602
  O     19.64872976     11.14452348    -10.54426202
  H     18.46642636      8.88249641    -14.18555707
  H     18.49320770      6.80089306     -9.63767653
  O     16.18849002      9.16758018     -8.91979391
  H     16.55156972      6.73383062    -12.90167369
  H     17.54558026      6.15767891     -8.61218861
  O     12.02843876      7.32723686    -13.66893733
  H     16.20035000      5.32587567    -12.36356562
  H     15.94468941     12.32130931    -11.19651780
  O     16.68857466     11.13166007    -15.83948752
  H     17.74677438      8.78794956     -9.77498077
  H     15.95860201     12.85879325    -12.67223456
  O     14.41635083      6.70557885    -15.18723777
  H     19.07953440      9.39963677    -10.27540195
  H     17.23877329      3.41089401    -10.96457005
  O     14.41858754      9.53060437    -15.34130699
  H     20.42534099     11.61502531    -10.25384562
  H     17.37708358      4.85275986    -10.42080771
  O     11.97769113     10.17225106    -14.13625389
  H     19.53295651     11.34816477    -11.48966191
  H     15.19014903      9.75094960    -13.70529229
  O     16.02356626      6.69048614     -7.56769328
  H     15.39347805      9.15161457     -9.47329456
  H     15.59329630     10.74759936    -12.57325276
  O     14.05587588      9.07317489    -10.66501065
  H     16.12366382      8.40463508     -8.33286764
  H     19.18722088     10.93546676    -13.78276951
  O     18.16439451      5.94839823     -9.32333750
  H     12.72416927      7.07113415    -14.28648719
  H     18.54274070     12.29146497    -13.44242286
  O     15.40989896     12.44103702    -11.99792165
  H     11.91605815      8.27905407    -13.78020207
  H     16.87169913     12.52750848    -14.80307513
  O     16.83180909      4.27286546    -10.98351754
  H     17.40250642     10.51493823    -15.63415654
  H     17.11272604     14.04742745    -14.64262183
  O     15.60443990      9.81718619    -12.83628424
  H     15.87136996     10.61714597    -15.81421645
  H     14.30577634      6.35042349    -11.95693508
  O     19.22656407     11.67164547    -13.16118221
  H     14.95228738      6.40562589    -14.43461782
  H     12.81670815      6.71773884    -12.15679942
  O     17.05222292     13.23103952    -14.15361978
  H     14.47392813      6.02340231    -15.85208614
  H     17.87374835     11.64563395    -10.00074088
  O     13.47337554      6.48628184    -11.48442906
  H     14.42874158      8.56633399    -15.39821908
  H     16.64345245     10.97973978     -9.35996254
  O     16.93552522     11.77663689     -9.82025651
  H     13.53667349      9.79382437    -15.04268842
  H     15.30250595      4.70122921     -9.84817426
  O     14.63203855      5.15756865     -9.32611768
  H     11.18616666     10.61008683    -14.43816347
  H     14.05218162      5.58369073     -9.97216055
          69
 Energy    -251.06780769201367     
  O     -5.69266802     -0.24766176     -1.27301297
  H     -5.47083901      0.65745008     -1.01109408
  H     -2.66587196      3.58964500      2.71344794
  O     -3.94069015      1.84293917     -4.68553008
  H     -6.00234923     -0.70143155     -0.47839894
  H     -4.08060942      1.82569097      0.00138465
  O     -6.32231733     -1.43835872      1.18477839
  H     -4.64565591      1.20914170     -4.50350110
  H     -5.29878667      2.74166591      0.26967322
  O      0.11381258     -0.57420621      1.68392965
  H     -3.19965244      1.31915530     -5.01425797
  H      2.05356717      2.31909816      1.61535728
  O     -1.12555723     -0.57381617     -0.78558637
  H     -7.05752627     -1.97311132      1.47296064
  H      1.13448911      2.29004428      0.37245056
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  O     -3.42888513     -1.97865500     -1.36237769
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  H     -1.26685286      4.02688768      0.63644013
  O     -0.91298437      1.27252345     -2.83177608
  H      0.50785824      0.30444710      1.68291751
  H     -4.28754158     -1.36392435     -4.22480237
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  H     -1.87085989     -1.14085850     -1.02738003
  H     -3.32087617     -2.02726020     -3.22971113
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  H     -0.96189353      0.01437097     -1.53429019
  H     -2.86480550     -0.21936941      3.53691070
  O     -1.79590244     -1.73768825      3.23847141
  H     -2.28611467     -0.66762444     -4.85532149
  H     -3.15789204      0.76463659      2.40091376
  O     -3.45828301      3.40683848      3.23521502
  H     -1.32619369     -0.26615618     -6.00199133
  H     -4.55601790     -2.26924908      1.39373737
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  H     -3.10920886     -2.37299598      1.95051676
  O      1.16795574      2.10936967      1.32932085
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  H     -2.08714795      0.58484714      0.25527978
  O     -1.25829546      3.52224288      1.46023469
  H     -1.07628824      0.85889735     -3.68860554
  H     -2.11222248      1.98772441      0.95485576
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  H     -1.66604644      1.85217074     -2.65335754
  H     -4.99580696      3.52285409      2.40225975
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  H     -3.41852473      2.77274376     -3.25834715
  H     -6.37013866      4.19914328      2.18875747
  O     -3.69895299     -2.69091515      1.25751450
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  H     -5.86164271     -0.24551531     -3.03869310
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  H      0.26136121      3.57955610     -1.26656610
  H     -6.70785049     -0.37832167     -4.32466931
  O     -5.83458721      3.46141713      1.91021246
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  H     -5.18126174      0.61989986      3.10842578
  O     -5.82004251     -0.22821427     -4.00979221
  H     -1.07887208     -1.33052138      2.72001094
  H     -6.16213163      1.63785534      2.49760955
  O     -6.08518062      0.71856027      2.77445128
  H     -1.38521873     -2.37897363      3.81227155
  H     -1.38037396      5.61525775     -1.41145723
  O     -1.30481189      4.71468663     -1.10644416
  H     -3.37926271      2.48512343      3.51546607
  H     -1.95251355      4.19433856     -1.61195609
          69
 Energy    -251.06656467560970     
  O     17.34783417     15.37592307    -16.02324687
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  H     21.05269948      8.53373499    -10.31939831
  H     20.26798867     14.29500196    -16.21586619
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  H     23.07824439     15.41122411    -12.20661916
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  H     18.34664993     15.17660264    -12.96999620
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  H     22.35133894     14.83269996    -10.18428484
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  H     20.31862823     15.05624343    -14.20930765
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  H     20.55508244      8.91889180    -14.10048037
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  H     20.81972919     16.31676007     -8.66805732
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  O     20.09387280      8.61424821    -13.31154680
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  H     17.06263702     12.66957144    -14.56993595
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  H     16.80945511     13.62878563    -11.94288524
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  H     19.08650232     10.15233594    -10.29001452
  H     18.13888623     13.11856047    -12.53266116
          69
 Energy    -251.06425299769194     
  O     -4.34795951     -0.36422627      3.33591031
  H     -3.49327299     -0.76263341      3.11800278
  H     -6.42986851     -4.14645105      0.94701193
  O     -0.61826590      3.61567829      2.90015499
  H     -4.18016922      0.55219321      3.59310418
  H     -3.57866417      1.41281329     -0.07528632
  O     -1.92584609     -1.31955776      2.45448203
  H     -0.11841576      2.93275214      2.43547563
  H     -3.13916100      2.03805390     -1.42287312
  O     -4.01483169     -0.66751381     -2.80037840
  H     -1.38440291      3.82216388      2.34811758
  H     -5.95969255      5.59659939      0.49974403
  O     -1.86094445     -2.10309501     -1.54442038
  H     -1.36347760     -0.95907507      3.15595020
  H     -5.79469301      4.17642113     -0.09872761
  O     -4.89726818      0.66138694      0.81784592
  H     -1.64459600     -0.87722448      1.64278034
  H      1.64437449      1.32628093      1.44479957
  O     -6.36211583      2.62945898      2.36228161
  H     -3.25696758     -1.14388757     -2.44336382
  H      0.20575300      0.86468107      1.12958972
  O     -7.88768800      0.96462155     -0.75630423
  H     -4.77455518     -0.92861282     -2.26041991
  H     -3.83738657      4.27172142      1.22121521
  O     -3.92450043      2.37635936      3.73549500
  H     -1.40187050     -2.80522145     -1.99790118
  H     -2.87334171      3.17172157      0.73068451
  O     -4.07661280      2.01501288     -3.01549084
  H     -2.34797035     -2.51791755     -0.80831309
  H     -5.97921924     -1.18896864      3.11821845
  O     -6.03499842     -1.15769103     -0.95213450
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  H     -7.36809237     -0.83457465      2.53428745
  O     -5.96446377     -3.31831558      0.86683374
  H     -5.49435642      1.36867808      1.08618221
  H     -1.16006826      3.00453038      4.44263508
  O     -2.85093517      1.88175206     -0.51577681
  H     -5.63586594      2.56075627      2.99668202
  H     -1.24553729      3.01612190      5.98940490
  O     -5.59330691      4.73489601      0.67655237
  H     -6.21004728      3.43164178      1.84621576
  H     -0.76068094      0.86838159      4.62291624
  O      0.74449596      1.37103729      1.75932603
  H     -7.40523264      0.15435001     -0.96796637
  H      0.15320405      0.56487401      3.42447298
  O     -3.03700808      3.78863320      1.45911700
  H     -8.17421431      0.86139451      0.15831038
  H     -9.14886958      1.00090992      2.54932075
  O     -6.78933794     -1.57370737      2.75407458
  H     -3.58676238      2.82290159      2.94528390
  H     -7.70553981      1.47300650      2.26509956
  O     -1.54584085      2.54956456      5.21410424
  H     -3.21976908      2.43390693      4.39240827
  H     -4.07950717     -3.20311176      0.75078112
  O     -0.33739633      0.14663906      4.14342314
  H     -3.91988876      2.28823498     -3.91487701
  H     -2.76885420     -2.65977990      1.39136791
  O     -8.34467743      0.76033894      2.09509124
  H     -4.06985903      1.03987051     -3.01235175
  H     -1.13462971     -0.73169793     -0.51364611
  O     -3.13071104     -3.10055667      0.61199655
  H     -5.62954849     -0.51896889     -0.34450029
  H     -1.58727919      0.70067115     -0.14320261
  O     -0.97749777     -0.00973964      0.10724150
  H     -6.09110051     -1.98599128     -0.46205237
  H     -6.82341528      2.36864923     -1.18925065
  O     -6.16131040      3.06165762     -1.32838411
  H     -6.29978817     -2.73838072      1.57429809
  H     -5.51983692      2.71680927     -1.95866175
          69
 Energy    -251.06385712664570     
  O     12.60232241     11.38142125    -15.39748209
  H     11.90782937     11.03719983    -14.81398241
  H     18.36489721      9.04209963    -12.70486593
  O     15.37729293      7.62461012    -12.90647088
  H     12.94947109     12.19206789    -15.00579854
  H     15.43815086     10.43291126    -16.90007870
  O     16.74285820     11.32517233    -10.81573559
  H     16.08210248      7.86150849    -12.29086372
  H     15.75977938     10.30259636    -15.39967006
  O     16.42150878     12.94274880    -14.83086896
  H     15.12440079      8.44640073    -13.35708131
  H     13.89027420     10.27430079    -14.46412264
  O     13.25040557      7.77214735    -16.16010203
  H     17.37355841     11.71879114    -11.42953737
  H     14.72457572     10.66006563    -13.22907448
  O     12.96003109     10.04395349     -8.40271492
  H     15.86321336     11.57315755    -11.14014174
  H     11.25551930     10.28039716    -12.70592649
  O     12.85957881      7.49602695    -11.84322463
  H     17.10656933     12.75117723    -14.17809240
  H     10.96908520      9.26179415    -13.83024462
  O     14.30464022     11.87588729    -11.90049820
  H     16.43559476     12.20780482    -15.45675517
  H     16.64135338      6.88791265     -8.15156945
  O     15.75423530      6.76494622    -15.53090422
  H     13.39080111      8.51837153    -16.75007962
  H     15.39733916      7.39701307     -8.91704852
  O     13.66523583      7.35228706     -9.15117149
  H     14.11926544      7.36856175    -16.01441858
  H     12.04392333      7.55533051    -14.94202736
  O     18.02342902      8.49993474    -15.99594025
  H     12.59607523     10.37598324     -7.58660837
  H     10.74660878      6.81157553    -14.55109322
  O     18.75075396      9.54425681    -13.43415641
  H     13.91714140     10.22338505     -8.37712075
  H     18.58201696     11.24073732    -13.17014919
  O     16.16012538     10.49796048    -16.26276996
  H     13.76652343      7.44420118    -12.18199264
  H     19.27076270     12.59304228    -12.86983977
  O     14.69260125     10.05060922    -13.97688175
  H     12.28106913      7.36819353    -12.60428506
  H     17.10780701      8.14964137    -10.35357426
  O     10.94062897     10.20355197    -13.61541376
  H     14.02904436     12.54444256    -12.53889026
  H     17.10330328      9.53341404    -11.04511952
  O     16.34686283      7.55420752     -8.76642709
  H     13.53435724     11.35275327    -11.63389183
  H     16.00303111      9.41832188     -8.40863607
  O     11.37230432      7.46134865    -14.24209948
  H     15.66743903      6.86188192    -14.57187984
  H     16.11111059     10.77998060     -9.12427039
  O     18.41671470     12.17530824    -12.94656010
  H     16.57007355      7.22495464    -15.75605802
  H     12.39861482     10.18384417    -10.16337604
  O     17.31596299      8.59860575    -11.18238566
  H     13.30601159      8.18199057     -8.81419998
  H     12.52448176      9.23721692    -11.38134136
  O     15.66522206     10.32260085     -8.39984329
  H     13.31216339      7.25443371    -10.04548578
  H     14.80648464     13.40043718    -14.39016493
  O     12.30462447     10.14488184    -11.12363573
  H     18.63571879      8.44217448    -16.72561097
  H     13.73384018     14.50136494    -14.19095721
  O     13.88368355     13.56265076    -14.11957593
  H     17.42203485      9.23824956    -16.19216459
  H     13.22398965     10.70897890    -16.88941768
  O     13.69313727     10.25129804    -17.61032083
  H     18.54022574      9.07802026    -14.25110036
  H     13.24864830     10.48557980    -18.42067159
          69
 Energy    -251.06205394626002     
  O     14.90598090     10.69115445     -9.08373427
  H     14.66788961     11.07688395     -9.93759250
  H     17.06789871      2.89519699    -12.56965600
  O     13.78236590      8.32957204    -16.29962039
  H     15.85928709     10.54971742     -9.12755375
  H     13.94932396      9.15402014     -9.16841603
  O     16.35440117     11.12610499    -14.90611606
  H     13.93969245      7.41090709    -16.04293428
  H     13.10276412      8.44562700    -10.24657174
  O     15.01386502      6.28824860     -8.51428454
  H     14.63467413      8.68040432    -16.58342935
  H     17.14434518      3.81285956    -15.41324037
  O     17.70003780     10.14660314     -9.55512818
  H     16.71227998     10.94415384    -14.02747863
  H     17.86962469      5.16565941    -15.53967597
  O     17.20726411      7.69529447    -13.03756110
  H     15.48298664     11.51616065    -14.77045424
  H     13.09976664     11.31960876    -14.56475399
  O     14.48352407     11.26410364    -11.80929779
  H     14.73095876      6.05452764     -7.63459136
  H     13.24397936     12.84830242    -14.74810036
  O     17.99020306      5.66194168    -11.32516694
  H     14.42660399      7.00581708     -8.81650302
  H     11.24058244      9.67389266    -15.11495053
  O     17.10319431      6.86902924    -15.68985529
  H     17.66419633      9.18312730     -9.41423229
  H     12.71363752      9.25714335    -15.34299070
  O     15.34204454      3.15573839    -15.14772008
  H     18.41352668     10.47546243     -9.01493501
  H     12.51164534      9.17407610    -12.99187701
  O     14.53745249      5.83898972    -15.27320945
  H     17.59908179      7.01641721    -12.47132497
  H     13.47231209      9.75657601    -11.94240966
  O     16.11024263      2.77896076    -12.58079219
  H     17.30259938      7.41706864    -13.95801627
  H     15.17390444      5.23372623    -10.02193472
  O     13.49152346      8.32454992     -9.37496229
  H     15.38119627     10.94019995    -11.98187946
  H     14.95455080      5.51937879    -11.52925449
  O     18.00931768      4.23310662    -15.32932553
  H     14.19458951     11.72028377    -12.60698107
  H     17.86741455      6.85863496     -9.87095697
  O     13.68453810     12.07664679    -14.40047671
  H     18.44263234      4.94881629    -11.79151669
  H     16.70239489      7.09396742     -8.88973718
  O     12.12598423      9.79822459    -14.78344865
  H     17.09235384      5.34396020    -11.14680131
  H     19.67566738      2.97191569    -12.93528274
  O     12.92688897      8.98149295    -12.14412383
  H     16.99922850      7.69134068    -16.18415374
  H     18.65888944      3.78140222    -13.77564582
  O     15.33482688      4.88186523    -10.90649774
  H     16.21494826      6.49096649    -15.60293197
  H     15.46537770      7.21925608    -12.78596460
  O     17.53308346      7.47127286     -9.20416944
  H     14.99155972      2.34677392    -15.51045946
  H     13.97398235      7.55268310    -12.48299837
  O     18.89192815      3.51035091    -12.86934449
  H     15.54788905      2.97814525    -14.21198620
  H     17.12594520      9.39794072    -12.55615181
  O     14.58041480      6.83525902    -12.70651682
  H     14.45762354      6.11527965    -14.34719531
  H     17.36878533     10.36461691    -11.37284766
  O     17.04472433     10.32397782    -12.28153166
  H     14.69795617      4.88750727    -15.27760511
  H     16.73966681      9.72673172    -17.68509748
  O     16.41444191      9.30399780    -16.89488816
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  H     16.44310859      9.97202921    -16.18635443
          69
 Energy    -251.06182560286916     
  O     -8.40973099      0.69473767      7.32783958
  H     -7.58025158      0.56894605      7.80552964
  H     -7.03604021     -0.43242258      0.82708702
  O     -9.43927264     -0.10294473      3.02731708
  H     -8.31932746      1.52572929      6.83659624
  H     -4.60728423     -0.17691731      3.37589076
  O     -7.79617639     -0.86927802      5.08982683
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  O     -6.15087845      0.96839372     -0.12476589
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  H     -6.13661824      1.47343170      3.35295540
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  H     -7.09938458     -0.31112327      4.70962531
  H     -5.66404498      1.39337004      4.83343937
  O     -3.72183814      3.48510477      2.33815084
  H     -8.07409858     -0.44109004      5.90843157
  H     -5.44966915      0.50859351      9.21973219
  O    -11.40240681      3.52018849      3.82616225
  H     -5.20708052      0.94155678      0.11700324
  H     -5.27685925     -0.09915679      7.80561872
  O    -11.16319409      0.79864678      7.17284513
  H     -6.19310206      1.04116397     -1.07447232
  H     -2.75296728     -0.37286128      4.27305760
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  H     -1.39225534     -0.43987085      5.00533956
  O     -3.61889052      1.05062982      0.82504973
  H    -11.04355143      2.72924735      6.90079785
  H     -8.06499903      2.81720805      2.73582156
  O    -11.72807461      0.70288459      4.34349011
  H     -3.26362214      4.30499442      2.17386406
  H     -9.04572251      1.66985465      3.12300491
  O     -7.38242496     -1.14519422      1.37617212
  H     -3.47676971      3.20567483      3.23838969
  H     -6.61432721     -2.29013305      5.22225907
  O     -3.90462496     -0.71455027      2.97662340
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  H     -5.66351983     -2.98357701      4.24592223
  O     -5.89366498      0.86275954      4.05931034
  H    -11.76233772      4.10403177      3.16356083
  H     -6.23025244     -2.30264192      1.98614299
  O     -5.79632018      0.53729108      8.33240970
  H    -10.21154615      0.66617477      7.31409660
  H     -5.53264951     -3.66476929      1.76826270
  O     -2.26917272     -0.06801913      5.06013263
  H    -11.61018407      0.33477840      7.87683176
  H     -3.59267309     -0.76432552      6.27429555
  O     -8.87125011      2.61697944      3.22843429
  H     -8.33955385      2.91120418      4.97630665
  H     -4.78698440     -1.75598714      6.24375488
  O     -5.80414122     -2.81810713      5.18447796
  H     -9.00099624      3.42976077      6.27156449
  H     -3.85875619      2.74003390      5.44965077
  O     -5.51885399     -2.88287075      2.31317145
  H     -3.51647902      1.89842884      1.27489371
  H     -2.74134216      1.78239557      4.97681193
  O     -4.34588388     -1.08218712      6.78221177
  H     -3.59636822      0.37849152      1.52057382
  H     -6.36684140      2.88694965      6.21646566
  O     -3.11000011      2.66379921      4.84253969
  H    -11.80556596      1.64374822      4.14434842
  H     -5.52027987      1.90786981      7.07406480
  O     -5.48419230      2.50216948      6.31377722
  H    -11.59469413      0.65180382      5.29800937
  H     -6.40572305      2.20497284      1.21427603
  O     -6.41649748      2.75026259      2.01296616
  H     -8.16944356     -0.80461612      1.82007349
  H     -5.53277948      3.12796799      2.11215281
          69
 Energy    -251.06086647495681     
  O     16.70896794      9.89823942    -15.02713888
  H     17.42495146      9.25211192    -15.08386728
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  H     16.14910684      4.49981123    -14.88670510
  O     16.80109176     12.47101743    -14.11808570
  H     15.36157830      8.42249066     -8.68788928
  H     17.43887123      4.96570569    -15.58122733
  O     12.84662739      9.17634803    -10.09529658
  H     14.87718559      7.13183572     -7.98383306
  H     15.67009003      7.94647425    -11.75534541
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  H     16.78150157     11.59550343    -14.54361487
  H     15.33154673      7.06187480    -10.53076081
  O     18.67733419      7.96070085    -14.89162220
  H     16.87987404     13.11434365    -14.81852031
  H     18.28910007      6.89514239    -16.28034420
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  H     13.43533882      8.57220813     -9.62702736
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  H     14.81595096      5.84746838    -16.67216521
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  H     15.41489239     10.30398185    -12.24957974
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  H     20.14434448     10.28789338    -13.37077162
  H     18.73718014      9.24514023    -10.70701430
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  H     10.73274948      8.38773289    -12.26754563
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  H     20.19629983      8.36613090    -12.15205005
  O     13.62638765      6.74105097    -13.44085224
  H     12.38727469      9.86401465    -13.51268089
  H     16.91951860     10.03822131     -9.18175083
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  H     15.51779136     10.66185245     -8.96516711
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  H     13.62090937      4.03230434    -15.19872738
  O     14.27969349      4.72226970    -15.19670315
  H     14.26653612     11.90599867    -10.71211669
  H     13.98174648      5.39067061    -14.55755283
          69
 Energy    -251.05928725377879     
  O     -3.26698610      0.35279685      3.52616074
  H     -3.85017035     -0.25830987      3.99417676
  H     -8.00860284      4.63696100      0.20160408
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  H     -2.66389663     -0.14862765      2.95842890
  H      0.65138146      1.15823110      0.50257335
  O     -1.58325813     -0.77496898      1.66548243
  H      0.82996968      4.75585527      0.24522578
  H     -0.41447375      1.19657589     -0.61152151
  O     -4.07689017     -1.48403190     -1.60414625
  H      0.23443417      3.32768209      0.23594437
  H     -5.34795339      4.98920337      4.97153081
  O     -4.99733713      1.16125358      1.53626636
  H     -0.69574324     -0.49617114      1.92324579
  H     -5.15383170      4.88476030      3.43717406
  O     -6.93991782      2.62399452      2.89282859
  H     -1.76905760     -0.34872524      0.81604190
  H     -1.63983128      4.51405158      0.95410613
  O     -7.87046352     -1.74137428      1.38141036
  H     -4.89125177     -1.09401929     -1.24431168
  H     -2.61062369      3.94565967      2.01984044
  O     -2.72710797      3.05839535      3.63570812
  H     -4.30841350     -1.88311456     -2.43906488
  H     -5.75980443      5.12519648      1.26987227
  O     -6.26021074     -0.31080760     -0.40133420
  H     -5.67889292      1.65769161      2.00667534
  H     -4.22609398      5.29600824      1.47486189
  O     -5.68204617     -2.90800646      2.41253601
  H     -4.38824005      0.81836048      2.20090758
  H     -5.40935350     -1.51768804      5.59581417
  O     -3.73792421      2.57040599     -0.44694822
  H     -7.18478025      3.16235957      2.12796160
  H     -6.05702436     -0.77325857      4.40325497
  O     -7.27015267      4.13978478      0.54423460
  H     -6.40432637      3.18150169      3.47235201
  H      0.16502601      3.43114401      2.41236579
  O      0.36095693      1.65991834     -0.26919982
  H     -7.09781695     -2.22860712      1.72685354
  H     -0.84938930      2.96864372      3.47903879
  O     -5.18056979      4.37038299      4.26562285
  H     -8.59097474     -2.36396905      1.33909241
  H      1.67976612      0.15699725      2.70347549
  O     -2.57180912      4.45809238      1.19852957
  H     -2.89948467      2.10535573      3.65627172
  H      0.59820848      1.26429880      2.68094612
  O     -5.09221838      5.53490299      1.83280034
  H     -3.51253617      3.49035153      3.99073449
  H     -7.71973790     -0.51656928      2.88611199
  O     -5.24546079     -1.22089703      4.70455312
  H     -5.77742041      0.16202743      0.29544429
  H     -7.42952476      0.89815979      3.45218511
  O      0.06128801      2.85318244      3.17847602
  H     -6.92678626     -0.83184408      0.06269263
  H     -3.59184936     -2.47398146     -0.01265426
  O      0.86980544      0.42096866      2.27590441
  H     -5.44593759     -2.46523216      3.23470665
  H     -2.68667830     -2.24602981      1.21047634
  O     -7.47183982     -0.03774134      3.68644839
  H     -4.87458431     -2.94584154      1.87859526
  H     -2.63052989      1.19889925     -0.77723041
  O     -3.39702375     -2.80525010      0.87163638
  H     -4.19030013      2.08891137      0.26489088
  H     -2.67612714     -0.28130646     -1.22156239
  O     -2.10164100      0.38914552     -0.83315563
  H     -3.29461937      3.31118368     -0.01516485
  H     -5.42583913      2.54314189     -1.26243337
  O     -6.37915750      2.39509771     -1.34306623
  H     -6.99599402      3.52868179     -0.16138122
  H     -6.50774215      1.45271045     -1.17951411
          69
 Energy    -251.05906711645301     
  O     11.51804542     10.39035631    -10.35052346
  H     11.03035116     10.28777758     -9.53729341
  H     10.58738420     11.19655773    -17.22703344
  O     14.84047445     10.81574594    -13.07940305
  H     12.42812722     10.63010559    -10.10046517
  H     13.05763485     14.34986754    -15.83168030
  O     16.63563126     13.80236251    -14.75187950
  H     14.84592411      9.96560481    -12.62420729
  H     14.07492427     13.19959551    -16.03197248
  O     10.92026178     11.83619096    -12.70421808
  H     15.67088962     11.26620546    -12.87933932
  H     17.37126381     10.90070805    -15.90871243
  O     11.33511981     14.63244380    -16.45897177
  H     15.73862117     14.05263616    -15.00419936
  H     18.00129612     11.66021117    -17.09721646
  O     14.46752724     11.70763057    -17.03417713
  H     16.91007440     13.12544124    -15.38395307
  H     14.21907870     13.58787566    -11.45893058
  O     16.17854937      9.14199667    -10.04750529
  H     10.98296168     11.38319581    -11.85462691
  H     14.66948793     14.51841677    -10.30762349
  O     13.35300417     13.08888927    -12.94187488
  H     11.72833199     12.36527829    -12.78268113
  H     17.80711625      9.70721538    -13.87655085
  O     13.80388890      9.65894547    -15.32223144
  H     10.86767753     15.42528571    -16.70713726
  H     16.98211262      8.81869788    -14.83378795
  O     18.01446525     10.09638456    -12.10734821
  H     10.73632953     14.11924523    -15.88724692
  H     10.65926108      9.91156901    -15.27973562
  O     14.06785126     11.05773413     -9.69136304
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  H     11.07986698     10.43990185    -13.88602409
  O      9.88059243     10.72838694    -16.74713509
  H     14.19439126     10.93429009    -16.51865583
  H     14.85385381      8.22392857    -15.12795890
  O     13.88605049     13.98465817    -15.49732067
  H     16.44339660      8.49561486     -9.39734480
  H     15.40788797      6.80553670    -15.40346744
  O     17.23704126     11.64164859    -16.52702570
  H     15.69881029      8.65802366    -10.74305032
  H     11.68406753     13.09625528    -17.57649162
  O     14.79906761     13.65015333    -10.68060352
  H     13.50818026     13.49702770    -13.80395372
  H     12.76787477     12.01923620    -17.78960221
  O     17.57251630      9.57827983    -14.80727474
  H     13.82010541     12.23742549    -12.95600053
  H     11.82541932      8.92682052    -11.52026381
  O     11.17008667      9.68934694    -14.49140775
  H     14.23141141     10.13211516    -14.59006407
  H     11.68985729      8.59144758    -13.01879070
  O     15.49832536      7.56024381    -14.82738600
  H     12.86423956      9.60846231    -15.10195871
  H     16.33014489     13.04566925    -11.67519899
  O     11.83021237     12.20779893    -17.92448435
  H     17.82482157     11.04663505    -12.11023596
  H     16.87155589     13.11037896    -13.13737811
  O     12.07792146      8.28008732    -12.19159669
  H     17.52380598      9.74415010    -11.35769966
  H      9.62074835     12.22719437    -15.55394196
  O     16.90016549     12.60169272    -12.31195845
  H     14.82935367     10.46783330     -9.74160884
  H     10.00057707     12.67023606    -14.12583333
  O      9.72923828     13.00361744    -14.99075299
  H     14.38072250     11.93731040     -9.93363030
  H     15.10337110      7.79665118    -12.99211519
  O     14.79260058      8.13709140    -12.14532442
  H      9.26359699     10.41449497    -17.40247233
  H     13.82326992      8.08977584    -12.14317496
          69
 Energy    -251.05804694913530     
  O     15.84054117      6.32870895    -13.40593581
  H     16.43665130      6.69670309    -12.73848402
  H     18.80790644      8.62503948    -14.41796851
  O     16.44634132     10.13186722    -10.85539270
  H     14.98357230      6.17917880    -12.98417393
  H     15.40283472      7.98444202    -14.03933559
  O     17.33091319     12.53627423    -14.75485827
  H     15.70826855     10.43338229    -11.40451573
  H     14.59190808      8.89355379    -15.02669305
  O     13.83579755      6.29949169    -16.94320125
  H     16.09183634      9.96091776     -9.97468865
  H     10.11756182      8.61700082    -14.72727285
  O     12.88957615      8.35866280     -9.35405400
  H     17.73607444     12.09961138    -13.99088957
  H     11.28488743      7.60162014    -14.62845547
  O     13.32755042      6.23710257    -12.28335963
  H     16.43471276     12.77721895    -14.49807995
  H     16.76046741      6.91007048    -10.06573682
  O     14.43154110     10.77674954    -12.62885832
  H     13.73703550      5.78891384    -17.74258280
  H     16.00360884      7.58210981     -8.90326842
  O     17.31135537     11.25686363    -17.11334280
  H     14.77636799      6.25180491    -16.69683915
  H     12.65065973      5.97445394    -15.44801292
  O     13.73704004      5.61741285     -9.60048015
  H     12.60940469      8.60733101    -10.24454741
  H     12.46197577      5.90819321    -13.90551531
  O     17.65599169      8.83318650    -15.77178527
  H     13.01937487      7.40233449     -9.36987895
  H     18.83528016     10.30991838    -12.92014225
  O     16.41837981      6.25819689    -16.12307913
  H     13.40512183      5.89384409    -11.38438009
  H     17.81626767     10.88564827    -11.92061389
  O     19.32711933      8.54917622    -13.59996057
  H     13.07064893      7.16722694    -12.20519450
  H     18.22611838      7.87097286    -12.23476623
  O     15.29296530      8.88905483    -14.36110105
  H     14.38225805     11.61078437    -13.11077124
  H     17.11060342      8.52461556    -11.38694059
  O     11.05273748      8.54615954    -14.55507788
  H     14.81369948     10.12965427    -13.24550681
  H     14.37869040      9.03916223     -8.73872945
  O     16.19342343      6.72531312     -9.30631231
  H     17.76650037     11.77116968    -17.77418927
  H     15.17324663      9.69551172     -7.58339387
  O     11.99302820      6.02256744    -14.74379395
  H     17.38148195     11.75156966    -16.27404511
  H     14.02208135     10.63956024    -16.66511196
  O     18.41695708     11.13021468    -12.63605540
  H     14.65194902      5.93479627     -9.49093383
  H     15.37845129     11.33945831    -16.94550236
  O     17.49385665      7.67090753    -11.63903023
  H     13.63714334      4.85899174     -9.03205218
  H     11.88030096      8.88531454    -12.87511938
  O     15.26961443      9.30388417     -8.44710865
  H     16.84676182      8.92514531    -15.24453272
  H     13.09164602      9.61707053    -12.23888084
  O     14.46526736     11.49742015    -16.67664634
  H     17.66536488      9.60018617    -16.35716006
  H     14.41854445     12.46352490    -15.21910494
  O     12.45297248      8.90308728    -12.09927888
  H     16.95136105      7.05916917    -16.19141823
  H     14.06870195     13.79362958    -14.50952469
  O     14.49017494     12.94891843    -14.37706813
  H     16.30412304      6.10284793    -15.17346569
  H     13.41466090      8.08125216    -16.63116619
  O     13.27096230      8.96645931    -16.27000196
  H     20.21211602      8.30378870    -13.85771285
  H     12.46336599      8.93224927    -15.74108796
          69
 Energy    -251.05785345984722     
  O     17.17374847     10.86671262    -17.06245459
  H     16.24173490     11.11468596    -17.08003102
  H     17.68434050      5.63629751    -16.60988228
  O     15.42420844      5.75695820    -14.07046213
  H     17.58077213     11.38059295    -16.35085952
  H     17.67405366      5.48331608    -11.48043084
  O     18.01173921     14.07331363    -12.56557098
  H     15.90486496      5.72040587    -14.91020074
  H     18.26974081      6.08567423    -12.77218322
  O     19.89568063      8.67966544    -14.73479382
  H     16.08678121      5.88650253    -13.38263090
  H     17.08371791      7.71880598    -15.80223954
  O     15.70830524      7.30444816    -18.68800618
  H     18.05828285     13.59643309    -13.40449226
  H     17.17829604      9.25870462    -16.09826288
  O     16.91560117     11.37342885    -10.23874766
  H     17.10670375     13.95826327    -12.24998413
  H     14.58680088     11.72639994    -15.71974282
  O     15.28292267      9.27538852    -13.59564079
  H     19.93090381      9.35351456    -14.04595590
  H     13.90440201     12.17949014    -17.03047991
  O     17.87296920     12.13321679    -14.66425020
  H     18.95755884      8.62229812    -14.97555497
  H     17.36986106      7.97851337    -11.68730269
  O     19.54129924      6.02546532    -13.93842630
  H     15.07877779      7.80315274    -18.13662450
  H     16.43884581      9.07310651    -12.23396575
  O     13.38951062      7.45421829    -14.51034988
  H     15.23452617      7.03502063    -19.47033352
  H     13.76009411      8.25214970    -16.20797472
  O     19.43880145      5.12492261    -16.66930474
  H     16.97310227     10.46720716    -10.56836304
  H     14.08539342      9.60513444    -16.88896128
  O     16.80878486      6.01892055    -16.46545544
  H     17.81381109     11.72668304    -10.26897502
  H     20.16672457     13.01696085    -10.39376960
  O     17.53517916      6.16194231    -12.13653328
  H     14.52415897      8.70962018    -13.77860323
  H     19.02073037     13.18676495    -11.42148846
  O     17.20387408      8.58944783    -15.40177239
  H     15.97709430      9.01660642    -14.22466540
  H     18.55170011      9.92798339    -12.37521674
  O     14.42104876     11.47635189    -16.64413037
  H     18.35063224     11.53565847    -14.07146213
  H     19.45428474     11.15803285    -12.09453607
  O     17.18626809      8.92433624    -11.63629134
  H     16.93472730     12.07014007    -14.43589753
  H     15.90758690     12.53854509    -11.05557169
  O     14.02522532      8.65536990    -17.04349311
  H     19.53772390      5.57095161    -14.78795802
  H     14.86750227     13.68038937    -10.96229957
  O     19.46157377     12.54897650    -10.83191435
  H     19.81757214      6.93245780    -14.13141937
  H     20.32074132      8.08510856    -16.50766809
  O     19.21064739     10.51604057    -12.77136838
  H     14.07442061      6.78009244    -14.34095152
  H     19.58630903      8.04615201    -17.87577919
  O     15.44157183     13.22238363    -11.57023911
  H     12.55767253      7.07721677    -14.23846887
  H     15.11660623     10.99978499    -13.79992712
  O     20.24781058      7.59097928    -17.33360214
  H     19.94732703      4.45025415    -17.10927216
  H     15.10849053     12.44089102    -13.20352069
  O     15.11587702     11.94322676    -14.02993545
  H     19.79356563      5.98514577    -16.96453764
  H     17.90446049      9.65280668    -18.29182882
  O     18.16891484      8.82301457    -18.71053606
  H     16.45711827      6.31168266    -17.31588662
  H     17.35822270      8.30990486    -18.80530470
          69
 Energy    -251.05419927128384     
  O     13.71243141     12.87842122    -10.77483756
  H     13.11694494     12.15683681    -11.02219292
  H     12.41875276     11.48427698    -15.03879421
  O     14.18470756     12.77547308    -17.55341006
  H     14.42788746     12.47643637    -10.26740681
  H     13.76631256     15.87812598    -17.20559453
  O     15.06060186      9.40491132    -11.61008255
  H     13.63305093     12.02633150    -17.29662503
  H     13.99169485     14.37423663    -16.91878647
  O     16.16422422     15.33715516    -12.01125088
  H     15.07676235     12.42323861    -17.66130837
  H     12.58137247     14.98211554    -13.50748815
  O     12.97942730     10.46985920    -16.44156394
  H     14.81083295      8.49571739    -11.81636501
  H     12.75860672     14.94384688    -15.04754449
  O     14.21145022      6.90751636    -12.54531238
  H     15.64127745      9.70254883    -12.32691486
  H     18.51816175     12.35869664    -12.54810525
  O     14.32217807      7.25900064    -15.22918579
  H     16.25858242     15.30509391    -12.97335318
  H     19.86732260     11.76471837    -13.01872033
  O     14.84948651     12.55929594    -13.42124820
  H     15.22824689     15.50791984    -11.85953001
  H     17.34257053     11.57588799    -18.44826950
  O     12.45726285     10.59672397    -11.79593036
  H     12.41699970      9.69831068    -16.29864576
  H     17.26996789     12.09606231    -16.99254612
  O     15.62083340      9.60699104    -16.06986804
  H     13.88878455     10.17079751    -16.29334585
  H     11.54109631      8.16367024    -14.70419354
  O     18.02417915     13.01018165    -15.74155668
  H     14.40455077      5.99961521    -12.32782506
  H     10.84949374      7.67370638    -15.99746573
  O     12.27440209     11.91290402    -14.18588616
  H     14.32224317      6.99487921    -13.50980776
  H     16.03491514     10.96545639     -8.92143309
  O     13.92961623     15.25409534    -16.50376061
  H     14.86454484      7.96661898    -15.60199089
  H     15.58545212     10.58113089    -10.34943577
  O     12.20531344     14.62794096    -14.32223400
  H     13.41636824      7.44630431    -15.50477854
  H     17.48027038     10.79694021    -13.53173237
  O     18.95829428     11.88466181    -13.27817452
  H     14.67964759     12.78676921    -12.50060341
  H     16.00028012     11.24907706    -13.59877410
  O     16.78711757     11.59318284    -17.67370183
  H     13.98790054     12.34143607    -13.80181131
  H     13.35914161     14.53681534    -11.31166909
  O     11.62032070      8.13237691    -15.67422345
  H     12.32693802     11.02857147    -12.65687368
  H     12.77532959     15.95680656    -11.14721073
  O     15.83058013     11.32923970     -9.77952598
  H     13.34011569     10.20076220    -11.79574280
  H     12.41914783      7.61664787    -12.70810674
  O     16.57879749     10.46920304    -13.63151292
  H     15.99467965      9.84452520    -15.20885512
  H     11.71561640      8.96281882    -12.47206225
  O     13.28298136     15.40673459    -11.73958685
  H     16.06176349     10.17192330    -16.71648759
  H     17.12465270     13.89924382    -11.44606421
  O     11.63592142      8.12688893    -12.94806613
  H     18.43714416     12.65194376    -14.94792708
  H     17.04897235     12.52881619    -10.71054442
  O     17.60320386     13.07383635    -11.27791602
  H     17.41987597     13.70259198    -15.43837471
  H     15.39518791     15.03308264    -15.36638743
  O     16.04869264     14.69626743    -14.74209290
  H     12.09852634     12.85780819    -14.31510387
  H     15.62749044     13.94576555    -14.29407776
          69
 Ord_Energy   -251.052368    
 O    2.68507338       1.43292832      -1.43512905    
 H    2.72029686       1.65290964      -2.37282825    
 H    1.82340610       1.01110744      -1.29327023    
 O    3.62936831      -4.47317982      -3.47026682    
 H    3.40777850      -4.22031641      -4.37243462    
 H    3.36464167      -3.71701026      -2.91965365    
 O    5.25168419      -4.04912806      0.348713666    
 H    5.06596088      -3.27439713      0.893396556    
 H    4.50827932      -4.64766502      0.486113608    
 O   0.174769819      0.301908463      -1.04153967    
 H   0.223805413     -0.657652318     -0.908431411    
 H  -0.113854632      0.677233636     -0.201417625    
 O   0.256623745      -5.86261302E-02  -3.84634089    
 H    7.33014792E-02  0.123107120      -2.91501951    
 H   0.954317749      0.557346821      -4.09242010    
 O   0.487060338      -2.38181853     -0.720560849    
 H    8.17398280E-02  -3.12245321      -1.18793106    
 H   0.910188854      -2.70378923       8.79965201E-02
 O  -0.276399046       1.19556367       1.57893980    
 H    6.09348901E-02  0.424528688       2.07021308    
 H   -1.02587450       1.52637231       2.06613827    
 O   0.314381123      -2.77238441      -4.45651245    
 H    1.10154295      -2.90681934      -4.99317598    
 H   0.251361251      -1.82038987      -4.28686237    
 O    2.65138626       1.53825760      -4.27118778    
 H    3.13318038      0.703872800      -4.39884281    
 H    2.87640071       2.10486484      -5.00456524    
 O    3.88325977     -0.921403825      -4.35218906    
 H    4.80315971     -0.923939288      -4.05669737    
 H    3.37416196      -1.31147242      -3.62184691    
 O    2.85595441      -3.04023385      -5.83747149    
 H    3.27339005      -2.24956512      -5.45947313    
 H    3.03970146      -3.02812052      -6.77355289    
 O    6.33809948      -1.06599784      -3.01335931    
 H    6.29058695      -2.00629044      -2.75206637    
 H    7.25977182     -0.862419307      -3.14254141    
 O    1.91062737      -5.83963299      -1.73766255    
 H    1.06781149      -5.43835545      -1.98089433    
 H    2.54865980      -5.53357983      -2.39629841    
 O    2.87431931      -2.17547393      -2.13674355    
 H    3.48384070      -1.71438885      -1.54745626    
 H    2.01775002      -2.22785091      -1.69791067    
 O    3.43631506      0.440841198       3.23173857    
 H    3.81805205      0.945598066       3.94460535    
 H    3.15599012       1.08028579       2.55241418    
 O    4.30029345      -1.66928780       1.58886969    
 H    4.48485422      -1.19936073      0.761236191    
 H    4.12384939     -0.989118695       2.24952817    
 O    2.86257863      -5.62520599      0.780792415    
 H    2.51376486      -5.74106121     -0.121135212    
 H    2.89903545      -6.49282551       1.17426217    
 O  -0.434864551      -4.38360357      -2.43556213    
 H  -0.183940694      -3.83298683      -3.20081091    
 H   -1.30850804      -4.72027206      -2.61422992    
 O    6.04451561      -3.61583710      -2.26729631    
 H    5.35363579      -4.06994390      -2.76438880    
 H    5.85612535      -3.78743219      -1.33218670    
 O    4.63659525     -0.434414804     -0.826032043    
 H    4.02756166      0.284021258      -1.05138028    
 H    5.29765511     -0.511094272      -1.52394199    
 O    2.42921066       2.10464334       1.32755613    
 H    1.47904468       1.95131671       1.41102791    
 H    2.62618876       2.03143930      0.385920435    
 O    1.91043603      -3.10381365       1.52383363    
 H    2.15752506      -4.02597666       1.37902451    
 H    2.73909855      -2.60163283       1.53179884    
 O   0.894365013     -0.851201534       2.92619896    
 H    1.74318218     -0.468457520       3.18276525    
 H    1.09975588      -1.70992160       2.53600454    
          69
 Energy    -251.04854867084651     
  O     12.10635892     11.49410254    -14.44353764
  H     12.85002062     12.10624437    -14.47661354
  H     16.03433239     11.38020092    -16.56264344
  O     15.46197640      6.67475114    -13.40323507
  H     12.21408382     10.88392184    -15.18709565
  H     13.91285199      9.21847285    -14.73571064
  O     17.81142161     10.41512473    -12.12986068
  H     16.36204771      6.93233942    -13.15894633
  H     14.98817664      8.30468900    -14.06163867
  O     12.06125901      6.81343445    -15.79359226
  H     14.91077882      6.74958214    -12.61308929
  H     10.33008968     10.46789865    -12.06640491
  O     15.39876535      9.35697968     -8.72958862
  H     17.96841874     10.32601036    -11.18175122
  H     11.50545605     10.67792950    -13.05063406
  O     13.83712215      7.17336646    -11.21742235
  H     16.91197523     10.76131218    -12.23371006
  H     18.03164428      7.12427776    -11.03222017
  O     15.24005443     11.22863043    -12.59613669
  H     11.95295709      7.00767836    -14.84447681
  H     18.09525788      8.00859198     -9.77539327
  O     16.72250983      7.26343552    -17.50501377
  H     11.32220585      6.26670233    -16.04689086
  H     12.44902946      7.22380144    -12.50183172
  O     15.48012166      6.50001851     -9.05263914
  H     15.34001740      8.39423039     -8.69457954
  H     11.52409846      8.38124018    -12.91591482
  O     18.54083566      8.12082000    -15.44553861
  H     14.69711223      9.64532579     -9.32829165
  H     19.50069706     11.29810859    -14.75614508
  O     14.81626045      6.05194105    -16.02012425
  H     14.30967678      6.81932013    -10.45393101
  H     18.40463274     10.79528662    -13.79556204
  O     16.35243791     12.11690162    -16.02363323
  H     13.78137169      8.13042459    -11.08276442
  H     18.26951307      7.68114449    -13.73321353
  O     14.78940739      9.20973211    -14.33359779
  H     15.09114700     10.49928643    -13.22240340
  H     17.87931946      8.59820932    -12.55426277
  O     11.20060048     10.14989796    -12.29030618
  H     14.98688535     12.03252809    -13.06359498
  H     17.04423456      9.78418034     -9.11744493
  O     17.91933943      7.10749117    -10.07208561
  H     16.04073864      6.77694218    -17.00608718
  H     18.41400386     10.32388528     -8.64212253
  O     11.83504512      7.50988608    -13.18964324
  H     16.99621269      6.69691441    -18.22094109
  H     15.37989873      9.53484903    -16.05357449
  O     18.61281248     10.94705170    -14.73171226
  H     15.54321286      5.77967056     -8.43169612
  H     15.88250175      8.91476219    -17.36962591
  O     17.96775644      7.67102072    -12.81252739
  H     16.37133831      6.63048580     -9.42444064
  H     14.17829821     10.45639457    -11.35850826
  O     17.97480518      9.90779372     -9.37896359
  H     17.96918158      7.85541992    -16.17525383
  H     12.69972810     10.05026968    -11.17601744
  O     15.42032988      9.68232856    -17.01187300
  H     18.52510155      9.08426243    -15.40713616
  H     15.11667008     12.84526089    -15.04643543
  O     13.58102430      9.93993176    -10.79829353
  H     13.87110454      6.23950092    -16.03332999
  H     14.42016009     14.12897199    -14.53740972
  O     14.43717941     13.18154481    -14.43410126
  H     15.08021596      6.10886460    -15.09019070
  H     12.42172049      8.57776357    -16.27222058
  O     12.69869926      9.50298618    -16.28085942
  H     17.15372221     11.79366375    -15.59341814
  H     13.52412187      9.55971799    -16.78063949
          69
 Energy    -251.04773741541982     
  O     14.06407248      5.77505029    -16.26326812
  H     14.94863956      5.41247703    -16.39671697
  H     18.08275376     10.47903206    -12.90826821
  O     17.65404161      6.84393334    -12.45285162
  H     14.18695270      6.71792446    -16.08868925
  H     13.70737733     11.81751880    -13.11928423
  O     14.84243604      8.91059345     -9.27779477
  H     17.17066673      6.10207255    -12.06274740
  H     15.09819672     12.38655562    -12.77048762
  O     17.97688310     10.07215839    -14.62915042
  H     18.24235085      7.23240765    -11.79410951
  H     16.34704650      8.08096820    -12.09981864
  O     16.77647640      4.85726484    -16.20372287
  H     15.16994323      8.88013169    -10.18874088
  H     16.40800802      9.60776292    -11.97047034
  O     13.60358932      6.44613311     -9.20546952
  H     14.29416023      8.12058211     -9.16139779
  H     13.30619239      4.86138367    -14.99286186
  O     15.92252440      4.88691879    -11.59061939
  H     17.21923303     10.48609987    -15.06171709
  H     12.25357229      3.81871698    -14.54602682
  O     13.33804110      8.61255398    -12.98415767
  H     17.92887382      9.13998829    -14.87173671
  H     16.97165535      6.70863514     -8.67060861
  O     16.12146109      5.01669029     -8.86957892
  H     17.04896103      5.72639455    -15.86355143
  H     16.47606868      8.16252686     -8.74038792
  O     15.53949379     11.04253424    -15.75645986
  H     17.40615448      4.61709710    -16.87847386
  H     16.16381845      3.84758365    -14.68522675
  O     17.25098452      7.32736074    -15.11313168
  H     14.35664094      5.89141874     -8.97001889
  H     14.79335676      3.60226833    -14.02916973
  O     17.96575468     10.63960069    -11.95748250
  H     13.38388342      6.22693067    -10.12058969
  H     16.91792008     11.96934741    -11.44973871
  O     14.53120513     12.13419239    -13.50883364
  H     15.06990861      5.33694694    -11.68345349
  H     16.65297417     13.41709314    -10.98093664
  O     15.80807190      8.85648174    -11.89978819
  H     15.98302730      4.27491650    -12.33878553
  H     18.46208000      8.14352552     -9.84549971
  O     13.00477326      4.32028375    -14.24076769
  H     12.81668634      9.38213078    -12.72863172
  H     19.95727755      8.30940739    -10.21339057
  O     17.27748083      7.62261510     -8.71435185
  H     14.22265265      8.75198146    -12.60651992
  H     14.71375752     11.86581965    -10.28652268
  O     15.74128886      3.46291151    -13.90752937
  H     16.24879879      4.16526884     -8.45880586
  H     14.18338118     10.59540492     -9.57877996
  O     16.21679714     12.61062011    -11.24487183
  H     16.11013420      4.86521036     -9.83007403
  H     14.90777705      9.29089017    -15.65010342
  O     19.07423591      8.38819752    -10.56418807
  H     15.43458985     11.66228676    -16.47333363
  H     14.11154890      8.45125410    -14.62094286
  O     13.90779312     11.42724599     -9.98973683
  H     15.16078900     11.46284234    -14.96303155
  H     13.28064116      6.89593849    -12.35112316
  O     14.66028177      8.38793664    -15.41534153
  H     16.35130318      7.68237820    -15.16496053
  H     13.16179911      5.39590172    -12.73095720
  O     13.40391914      5.99757573    -12.01518556
  H     17.43588587      7.12371403    -14.18312680
  H     12.79358886     11.19008465    -11.29449150
  O     12.27856598     11.06282059    -12.11262818
  H     18.43642571      9.95018005    -11.47405322
  H     11.41288635     11.42771470    -11.95219743
          69
 Energy    -251.04755077505499     
  O     -7.76082619     -2.71083472      6.15810083
  H     -8.46833504     -2.07299152      6.31078435
  H     -4.34716088      0.52336266      1.98155634
  O     -8.90488819     -2.79809140      1.83104472
  H     -6.93853715     -2.30405211      6.45624605
  H     -6.65519116     -1.10514766      3.43435876
  O     -7.72613596     -4.29936134      3.97499201
  H     -9.40578132     -2.13175745      2.32132109
  H     -8.11274930     -0.60619780      3.67496493
  O     -5.51035201      0.39307410      0.52299558
  H     -8.60749024     -3.42582603      2.50121414
  H     -4.70106927     -1.50221411      6.07955601
  O     -6.36570647      0.87838601      6.00735300
  H     -7.78261816     -3.75746598      4.78320529
  H     -4.66913750     -1.80365530      7.59723852
  O     -5.24199009      5.04189854      1.19684573
  H     -7.80826754     -5.20868477      4.24832321
  H     -2.25011638      3.27199615      2.19387343
  O     -9.94446329     -0.86839995      6.39602782
  H     -5.85032507     -0.48967675      0.34088856
  H     -0.96360580      2.66314496      1.58291909
  O     -3.89161385     -1.44381008      4.55067762
  H     -6.26795212      0.90054452      0.85542112
  H     -9.68951402      4.59496015      4.69443516
  O     -4.20823338      2.85128100     -0.04767351
  H     -5.94843292      0.16129359      6.49886677
  H     -8.46015918      3.90211430      4.07196457
  O     -9.92357138     -0.88278018      3.57789101
  H     -6.66233946      0.48134832      5.17201904
  H    -10.09892230      2.40045727      3.34467947
  O     -6.72155037     -2.19014700      0.31841456
  H     -5.29967627      5.76080557      0.57322826
  H     -9.43397971      1.69643153      2.16286834
  O     -3.75159993      0.71253902      2.71925816
  H     -4.92989976      4.26520773      0.69859758
  H     -5.90472769     -2.59828059      1.95959057
  O     -7.18447558     -0.33326218      3.66383984
  H    -10.65077611     -0.96982181      7.02846302
  H     -6.32460476     -3.34548864      3.25461032
  O     -5.24162765     -1.51693034      6.89117240
  H     -9.64675240      0.05734151      6.45465236
  H     -8.03558802      1.48318661      6.42784601
  O     -1.90829468      2.54995418      1.63630798
  H     -3.70800531     -0.66442247      4.01201139
  H     -9.14813520      2.38336915      5.84965307
  O     -9.30732532      3.73844084      4.51763624
  H     -4.41123347     -2.02133042      3.97269306
  H     -3.68754536      3.91406103      3.76845364
  O    -10.23843969      1.69802410      2.69903275
  H     -3.34579510      2.72482031      0.36742457
  H     -3.83332550      4.81234082      2.52697388
  O     -5.70628951     -2.69291076      2.89920368
  H     -4.64090214      1.98822625     -0.02547126
  H     -4.50238346      1.93258564      3.84868141
  O     -8.98742681      1.65666385      6.46175376
  H    -10.08260499     -0.93524854      4.52768224
  H     -5.30796714      2.09869515      5.15681961
  O     -3.18112989      4.43582006      3.13062907
  H    -10.17290170      0.00704580      3.28426153
  H     -7.32836611      2.51006384      2.20913084
  O     -4.86116474      2.59410237      4.45826708
  H     -7.56160266     -2.34699496      0.78684622
  H     -7.40566965      0.98254720      2.47436958
  O     -7.55387017      1.66530661      1.80010544
  H     -6.75674643     -2.71175790     -0.47944357
  H     -6.19261410      3.53516906      3.71284071
  O     -6.87930337      3.99730159      3.20795742
  H     -3.01258590      1.21793073      2.35788850
  H     -6.42354421      4.48211069      2.50809121
          69
 Energy    -251.04675166438727     
  O     -3.14930896      3.65302774      5.74608943
  H     -3.72900528      3.05243347      6.23096187
  H     -0.53515121      0.74802857      0.08791217
  O     -6.14329771      4.67866546     -0.30381343
  H     -2.38522576      3.12714122      5.48190906
  H     -4.21111619      5.69848681      2.13829022
  O     -0.84973695      1.03851955     -1.70667929
  H     -6.51119933      5.01819190     -1.11595117
  H     -4.77834869      5.62948778      0.70244397
  O     -2.83138190     -0.98527351      1.37323567
  H     -5.60865094      3.90149217     -0.54249930
  H     -4.27308703     -0.30455269      2.24546430
  O     -4.11297113      2.65861059      2.08448692
  H     -1.18976967      1.95164369     -1.67169733
  H     -4.44612451      0.08368840      3.73561381
  O     -4.58639567      4.83482382      3.72654526
  H     -0.35641245      0.95831461     -2.51818589
  H     -7.23594129      1.81722106      4.46944055
  O     -4.50085594      2.54815758     -0.62454544
  H     -2.09433715     -0.37667298      1.22894362
  H     -7.16986708      3.22370194      5.08988659
  O     -4.92751653      1.71239752      6.89249577
  H     -2.58123900     -1.50509434      2.15122555
  H     -1.29066306      3.94522053      1.62561389
  O     -1.97320538      3.48500916     -1.46917591
  H     -4.39812178      3.37212233      2.67112792
  H     -2.38134146      2.94269204      2.07196516
  O     -3.52322568      0.03508481     -1.18232139
  H     -4.40119078      1.81390833      2.44992599
  H     -7.52093450      4.60998687      3.46466132
  O     -7.42991730      1.06469837      2.71025535
  H     -4.05501575      4.51763022      4.47225295
  H     -7.93370309      5.66035577      4.52874919
  O     -0.57046649      0.70493264      1.05154725
  H     -5.49305404      4.95227795      4.03356138
  H     -2.65271225      0.75414461      4.96395227
  O     -4.04225340      5.96797501      1.22434817
  H     -4.29567619      1.64252550     -0.89590206
  H     -3.90099996      0.57071432      5.86402937
  O     -4.87802851      0.11879327      2.87008080
  H     -4.36026755      2.59127349      0.33425291
  H     -0.57805153      1.16873458      4.38581273
  O     -7.01755226      2.28950499      5.28088265
  H     -5.23892368      1.62931299      7.78956992
  H     -1.25147010      2.39787670      3.75531918
  O     -1.42628860      3.11297964      2.09191017
  H     -5.70680052      1.90152478      6.33934424
  H     -7.17943172      4.07910486      1.15873475
  O     -7.32486484      4.94736802      4.35919381
  H     -2.88393014      3.24754771     -1.24705245
  H     -7.57132087      2.86619072      2.05369158
  O     -3.37448245      0.14490266      5.17614124
  H     -1.73205920      4.20074430     -0.87025175
  H     -1.07686743     -1.49307810      3.79044104
  O     -1.22595022      1.86154410      4.56142991
  H     -2.63070820      0.24835207     -1.48090105
  H     -2.47084409     -1.38908442      4.42449442
  O     -7.67232683      3.82009943      1.94626175
  H     -3.40881483     -0.48720571     -0.37783291
  H      1.30780170     -0.45078669      3.45174791
  O     -1.93995465     -1.92434348      3.82024777
  H     -8.05204382      0.37852782      2.48057398
  H      0.13966086      0.03963226      2.56707069
  O      0.37866400     -0.23527210      3.46855684
  H     -6.55059810      0.65072709      2.71545169
  H     -0.98316808      6.26637184      0.51923695
  O     -1.47916790      5.45277931      0.53984034
  H     -0.82658635      1.58654779      1.36152981
  H     -2.39696653      5.68996490      0.76688597
          69
 Energy    -251.04645356910470     
  O     14.08947459      8.22765458    -10.59764534
  H     13.80970303      9.07838291    -10.96655543
  H     15.32219222      4.61233616    -16.39685197
  O     12.20527882     10.88906774    -15.39563743
  H     13.47373015      7.56346224    -10.93190715
  H     18.05510846      4.42546652    -12.29758326
  O     16.04839437     11.08983736    -12.86324157
  H     12.09546415     11.54367374    -14.69479563
  H     19.09420246      3.34700539    -12.68245364
  O     14.20864392      4.66489381    -13.02561017
  H     12.12890795     10.02591572    -14.96930525
  H     18.84455384      8.40962703    -14.13650697
  O     17.72643354      6.03040098     -9.12154727
  H     15.16577951     10.81665575    -12.57618175
  H     17.99165173      8.86567919    -15.32993332
  O     14.85472438     13.20509917    -14.29044912
  H     16.63425272     10.99528105    -12.10333291
  H     13.25438446     13.05375033    -13.59234780
  O     16.09145903      7.50690608    -12.44560771
  H     14.97086067      4.58252511    -12.43765804
  H     11.92971794     13.58984808    -12.99517866
  O     13.42036295     10.42768252    -12.11985756
  H     14.56690972      4.75174071    -13.91744244
  H     12.23665015      7.79035883    -13.26464740
  O     18.65431566      8.55601115    -12.26809409
  H     18.50042051      6.16570113     -9.69873386
  H     13.26300956      8.23266677    -14.32745704
  O     17.68575439     10.62200667    -10.60384969
  H     18.05438269      5.67037481     -8.30174322
  H     14.34129739     11.84977615    -17.55832829
  O     18.00467570      5.54543595    -15.11884909
  H     14.82435775     12.81455349    -15.17273364
  H     13.67529021     11.30690601    -16.27201598
  O     15.42094883      5.11876495    -15.59571531
  H     15.41117613     12.61353185    -13.76493898
  H     11.66778681      5.87892468    -11.62619815
  O     18.91951991      4.28440497    -12.71943907
  H     15.65898900      7.56101823    -13.30669171
  H     13.01966388      5.76089414    -12.36459201
  O     18.66305880      8.22430524    -15.06751194
  H     15.45707798      7.80940655    -11.78353151
  H     16.82132044      5.18375569    -10.57095050
  O     12.38846186     12.78896078    -13.23207560
  H     13.07029499      9.78352016    -12.75400355
  H     16.41078861      5.84694436    -11.89682038
  O     12.44853055      8.50628745    -13.87418735
  H     12.99721010     11.26968509    -12.32601304
  H     19.49116587      7.17269483    -11.39881194
  O     14.51919048     11.60792917    -16.65337430
  H     17.76798924      8.17165396    -12.36029286
  H     19.66471703      5.65028782    -11.56684152
  O     12.39636401      6.39313981    -11.96434942
  H     18.53519597      9.34524968    -11.72858066
  H     15.43266322      8.43457633    -15.23810312
  O     16.54765226      4.98301528    -11.47417535
  H     17.26560638      9.93219948    -10.05897262
  H     15.04977597      6.89773972    -15.31822946
  O     19.72680216      6.36418077    -10.92111383
  H     18.08828594     11.24174288    -10.00165071
  H     15.58678522      8.46603443     -9.51769881
  O     14.82431055      7.75033823    -14.92649452
  H     18.29383600      6.46952822    -15.15839949
  H     16.90167312      7.75077472     -9.13252569
  O     16.48990290      8.61972103     -9.20921912
  H     18.45115527      5.13833241    -14.36936499
  H     15.86151056     10.51526385    -15.94520000
  O     16.41779212      9.94831020    -15.39673409
  H     16.37943061      5.22707432    -15.44573015
  H     16.38644126     10.31905140    -14.50220640
          69
 Energy    -251.04460674177784     
  O     16.05802624     12.66309854    -16.71369090
  H     15.98037959     13.33568989    -17.38518884
  H     16.99935145      7.03145578    -17.59007689
  O     15.79656669      7.38021245    -13.05201417
  H     15.17103835     12.55386939    -16.32672726
  H     14.41449952      9.59852128    -14.93718858
  O     17.79223137     12.68618956    -14.44203668
  H     15.46386849      7.55194255    -12.16429277
  H     15.90835555      9.70919943    -15.31281601
  O     18.75416261      6.68305606    -17.26661182
  H     15.60896539      8.17742453    -13.57340940
  H     12.40709543      8.99623801    -12.69617701
  O     13.42019123      7.57338571    -17.86822371
  H     17.14356487     12.44568798    -13.76545670
  H     13.45347145      9.22906045    -11.57965833
  O     16.84282978     10.11606014    -10.78167607
  H     17.28103771     12.79833096    -15.25101357
  H     19.16963357      8.68190355    -12.42575280
  O     11.63770444      7.85991144    -14.00393241
  H     19.06356551      7.49631993    -16.84701855
  H     19.60573720     10.14148853    -12.63108488
  O     13.02385331     12.28314582    -12.83916134
  H     18.79315075      6.00166860    -16.58462916
  H     12.99474716      8.95932801    -16.65615716
  O     18.36121053      4.87878183    -15.04925640
  H     14.38671563      7.47173715    -17.82497409
  H     12.28795242      9.07503258    -15.28234737
  O     14.83686458      8.35547513    -10.61699020
  H     13.17523666      7.47582845    -18.78483423
  H     19.59616680      9.80682931    -15.23440183
  O     15.72882727      5.71309209    -15.22701668
  H     16.50296598     10.78279329    -11.39293885
  H     18.91329731      8.45746319    -14.92886521
  O     16.11435637      7.40969320    -17.48753854
  H     17.73591360      9.90648808    -11.08901286
  H     18.64880611      6.42391776    -13.95636799
  O     15.30641250      9.57090002    -14.56995880
  H     10.73583168      7.57343912    -13.88187021
  H     17.60891828      7.34881240    -13.28519766
  O     12.79083539      9.67132768    -12.12435327
  H     12.09873135      7.13380668    -14.45934665
  H     20.81180597     11.83085330    -14.12225203
  O     19.29018766      9.52131625    -11.96391113
  H     12.43274045     12.80508521    -12.30359605
  H     19.27101103     11.80848448    -14.26306946
  O     12.82381003      9.56207310    -15.92150155
  H     12.89708166     11.35437981    -12.57219716
  H     17.71052728      9.78458063    -16.46968279
  O     19.15021289      9.05793630    -15.65065394
  H     17.40252236      5.02714725    -15.11285365
  H     16.68632984     10.91843096    -16.88356703
  O     18.53491418      7.29634456    -13.56257281
  H     18.48757814      3.94216194    -14.92196201
  H     14.89182712     12.09011515    -12.70558244
  O     20.06100812     11.24560512    -14.17142013
  H     15.57830215      8.99085013    -10.60831714
  H     15.63981857     10.94501784    -13.40544649
  O     16.82909896      9.96616465    -16.82976868
  H     14.75358075      8.01817405     -9.72976719
  H     13.20760086     11.39651999    -15.88246118
  O     15.76789185     11.70405142    -12.81660894
  H     15.83966551      6.32732317    -15.96643107
  H     13.36753440     12.39127538    -14.72547957
  O     13.57157728     12.26371713    -15.65990907
  H     15.70462308      6.24183998    -14.41348904
  H     13.81572835      5.70971342    -15.34694788
  O     12.91554984      6.00628726    -15.52827123
  H     16.26593955      8.35352792    -17.32861222
  H     12.96039307      6.43018554    -16.39461387
          69
 Energy    -251.04204090195833     
  O     13.32461837     12.00526764     -8.72637406
  H     13.31896801     12.18850562     -7.79088632
  H     10.07335972     13.15101796    -13.77411735
  O     11.20308050     10.86692504    -15.39760865
  H     14.01966020     12.56471226     -9.11891779
  H     13.32990146     13.31189286    -12.74459658
  O     13.84733642      9.51603064    -10.01614619
  H     11.60103805     10.96118690    -16.27250422
  H     13.35126619     14.73868269    -12.17389433
  O     18.24311118     12.38988693    -13.82166967
  H     11.10419515     11.76014358    -15.03456722
  H     12.29488148     13.24958930    -17.13172104
  O     11.37308029     12.31008897    -10.73863733
  H     13.03627611      9.39086335    -10.52485712
  H     11.65486841     13.97365360    -15.92938692
  O     11.56494008      9.68392611    -11.65105035
  H     13.71284569     10.32185826     -9.50201482
  H     15.17591185     11.99189949    -12.77337249
  O     13.21798788      9.67906212    -13.88323685
  H     19.18176228     12.48835073    -13.96458887
  H     14.06351408     11.25568829    -13.58000172
  O     14.95654038     15.65627289    -11.70834698
  H     17.93255820     11.73160501    -14.46369952
  H     13.54452466     11.38008002    -17.52613614
  O      9.49637019      9.64976545    -13.58456118
  H     11.81185123     12.97155828    -11.29292226
  H     12.53090791     11.19416882    -18.67829785
  O     14.81654251     13.87371117    -15.53359518
  H     11.91649968     12.23144098     -9.94489941
  H     16.73094501      8.40534965    -10.51364712
  O     15.21130443     11.57631427    -17.04357966
  H     11.48775424     10.60266536    -11.35126765
  H     15.39075701      9.15881920    -10.68243693
  O     10.81695148     13.41433794    -14.33444896
  H     10.78976542      9.51196929    -12.19884330
  H     14.91304169      9.00498280    -13.96839924
  O     12.75429477     14.03017383    -12.43639973
  H     12.58275687     10.02135789    -14.52533578
  H     16.04014840      8.79361798    -12.93719487
  O     12.29734442     14.08105942    -16.64380196
  H     12.73203367      9.59502760    -13.05124112
  H     16.82047218      9.79032172    -14.93059280
  O     14.44592053     12.12103054    -13.39106677
  H     15.58553929     15.39593563    -12.40450231
  H     17.87842774      9.77781271    -16.05820877
  O     12.59570720     11.38398318    -17.74620574
  H     15.07359335     16.59293575    -11.57389109
  H     16.61486147     10.80063276    -11.43784532
  O     16.27171608      9.02184902    -11.07731089
  H      8.86677680      9.05313630    -13.98136043
  H     17.29257681     11.92255652    -12.29789882
  O     15.86207100      8.83642095    -13.88411721
  H     10.03664860     10.00798001    -14.30867593
  H      9.05387823     11.38708696    -12.76711809
  O     17.35247277     10.36054945    -15.51589136
  H     13.95338822     14.09813353    -15.90949971
  H      9.71169547     12.33073197    -11.74154622
  O     16.61260186     11.74611219    -11.63585147
  H     14.66280555     13.24979782    -14.80721932
  H     16.03013073     14.67804580    -14.45455966
  O      9.08620256     12.30646966    -12.47795677
  H     15.91392728     11.10474312    -16.58656559
  H     17.23939745     14.10739385    -13.70641618
  O     16.62673343     14.84903900    -13.70954946
  H     15.17964174     12.45145821    -16.62986701
  H     15.82057157     12.87958681    -10.43727058
  O     15.26369804     13.46279167     -9.90301779
  H     11.48977822     13.76038481    -13.73171649
  H     15.15439947     14.26881391    -10.42054689
          69
 Energy    -251.04093303250738     
  O     17.21056527      8.08694010    -14.38437922
  H     17.05293804      7.62209591    -15.21416749
  H     18.27433935     12.32923148    -14.24483463
  O     17.20743458     11.17207037    -11.19089295
  H     16.48720231      8.72553969    -14.27491617
  H     13.30586665     12.20956820    -14.54695170
  O     15.18292792     12.53812976    -14.73330122
  H     16.27482571     10.91455477    -11.16327110
  H     12.49752207     10.96751003    -14.96473489
  O     12.06271528      6.87846056    -14.57483394
  H     17.62748593     10.75201118    -10.42568714
  H     15.24554697     10.78230896    -14.19209711
  O     16.38111063      7.52221695     -8.67836775
  H     15.82581027     12.91134926    -14.11627775
  H     14.98117575      9.90234701    -12.94908660
  O     16.23364792      6.26268194    -12.51267618
  H     15.65519885     12.34021958    -15.55350221
  H     11.95589343      8.87814202    -11.98350205
  O     14.62336773     10.23467882    -11.19853494
  H     11.41304238      6.25007448    -14.87803862
  H     12.03734338      7.57818670    -12.82064891
  O     15.23638325      9.18235066    -17.39830257
  H     12.92720262      6.42914222    -14.61216514
  H     19.75969244      8.64494506    -11.65306598
  O     18.10384258      6.10239854    -10.50328525
  H     16.01145088      7.21669194     -7.85353658
  H     21.03889813      8.10994144    -10.97092311
  O     16.77267084     11.56024726    -16.84296661
  H     15.65687260      7.51257704     -9.32627557
  H     15.08790287      6.03220440    -15.41445983
  O     16.29554755      6.80139101    -16.69442752
  H     16.62968972      6.88692772    -13.13586278
  H     15.05935062      5.76771009    -13.89229880
  O     18.62412233     11.66417516    -14.85100470
  H     16.91617600      6.05627553    -11.85768569
  H     17.47535394     14.08750908    -12.48984019
  O     12.45475815     11.76973118    -14.42570395
  H     13.71040838     10.52083235    -11.32988466
  H     17.25264761     12.57670429    -12.25061702
  O     15.20962907      9.86658097    -13.88618232
  H     14.60368523      9.30219078    -10.93847113
  H     18.36976147      9.00913535    -13.42881200
  O     12.12697193      7.93082766    -11.92663243
  H     14.40066432      9.26773840    -16.91911248
  H     18.27224578     10.12254725    -12.33749828
  O     20.08858680      8.13413437    -10.89432232
  H     15.74367012      9.98345859    -17.22288730
  H     17.61851608      8.95119678     -8.95566558
  O     14.51251970      5.76173418    -14.68896609
  H     18.84853543      6.69989172    -10.64482188
  H     18.98619545      9.10602305     -9.64610520
  O     17.24272710     13.27381310    -12.92954854
  H     17.59594911      6.48663491     -9.77805929
  H     13.80973667      9.39494296    -14.94938409
  O     18.89208550      9.61419283    -12.87934483
  H     17.12391780     12.00905616    -17.60849834
  H     12.62704194      8.47880302    -15.33787456
  O     18.27528687      9.60559942     -9.22586853
  H     17.49361847     11.51999378    -16.18970494
  H     13.63210684      7.54667313    -11.06273311
  O     13.08785018      9.28856726    -15.58854090
  H     15.90889425      7.63225372    -17.02575630
  H     15.08211930      7.05413898    -11.37082327
  O     14.53653303      7.51414433    -10.71627128
  H     16.66487032      6.34744568    -17.44665164
  H     11.26549972     11.30215084    -11.52313716
  O     11.98323639     10.82042012    -11.92562303
  H     18.89394081     10.92866205    -14.28820897
  H     12.10825809     11.19608692    -12.81471144
          69
 Energy    -251.03694135082389     
  O      3.12085069     -1.52734002      6.46987369
  H      3.75081616     -1.65008946      5.74659763
  H      3.47493353      2.73256563      3.93034335
  O      0.19706648     -4.60222661      2.42598948
  H      2.87824624     -0.59282465      6.49052583
  H      1.35974167      1.93353399      3.63343823
  O      2.61462048     -5.70566896      6.43851284
  H     -0.49231468     -3.94145681      2.30294787
  H      0.63693778      0.57278498      3.44740216
  O      4.73707150     -1.88450580      4.26153007
  H      0.14430910     -4.87721963      3.35338553
  H      4.88013451      0.94375032      0.70419694
  O      3.93324949     -4.58208446      4.35824556
  H      3.13376315     -5.32025265      5.70916784
  H      4.10353039     -0.05882530      1.58373504
  O      2.13775438     -3.47563377      8.16105047
  H      3.04115428     -6.52452099      6.67603423
  H     -0.83699551      1.26668871      4.97616381
  O     -0.00700921      0.27494246      7.84165024
  H      5.29191082     -1.09160717      4.29065573
  H     -2.13741734      1.85700748      5.56510206
  O     -0.28240254     -2.43022242      8.74926958
  H      4.20978928     -1.80881919      3.45580616
  H      4.65206394      3.11686318      6.26583181
  O     -1.71324127     -3.86249616      6.75508456
  H      4.36884269     -3.72258786      4.42376992
  H      3.61586711      2.00200809      6.00283185
  O      3.26207423     -1.63235861      1.84090643
  H      3.56195832     -4.61678758      3.46899820
  H      0.76205044     -3.26606545      5.05042569
  O      5.90559127      0.59101619      4.09076820
  H      2.60532428     -2.77683512      7.68056221
  H      1.62358379     -2.07311075      5.57433804
  O      2.92493873      2.63048521      3.14364356
  H      2.31005229     -4.28948936      7.67439534
  H      2.97932497     -5.06336839      1.05971985
  O      0.65315086      1.37378509      3.98879419
  H     -0.15004817     -0.63599451      8.12668449
  H      1.85207127     -4.46999641      1.93615311
  O      4.51082073      0.82260524      1.57575930
  H     -0.68217799      0.47580325      7.18351871
  H     -0.87857280     -1.86470887      5.08448528
  O     -1.60325620      1.06702887      5.54072128
  H     -0.44245746     -2.53496870      9.68414434
  H     -1.92064712     -0.72748217      5.14804324
  O      4.37366492      2.47405784      5.61839064
  H      0.59021560     -2.82606465      8.57231492
  H     -1.88524003     -2.18990698      3.21645598
  O      0.88154202     -2.30862696      5.00595788
  H     -2.02282797     -3.15828940      6.17248006
  H     -2.58159937     -2.44896705      1.86113065
  O      2.79952544     -4.39907763      1.71994880
  H     -1.28045860     -3.40938045      7.49106693
  H      0.94948683     -5.38511374      5.66937585
  O     -1.81757272     -1.66397157      4.94095698
  H      3.20651977     -2.58182396      1.67400400
  H     -0.49407201     -4.77045034      5.77909956
  O     -1.72939024     -2.43606732      2.28885751
  H      2.35615721     -1.34631271      2.03157298
  H      1.67407534      1.14664445      5.53115288
  O      0.21156298     -5.02266403      5.16425822
  H      5.48078131      1.24038033      4.66488593
  H      1.46305951      0.85910893      7.03520929
  O      2.13976046      1.07355272      6.37511807
  H      5.56086318      0.75898104      3.20470007
  H     -0.11618305     -1.39811526      2.25829191
  O      0.70223076     -1.03797246      2.61682095
  H      3.43300679      2.07609351      2.53846910
  H      0.85363358     -1.51765515      3.44957888
          69
 Energy    -251.03687002579187     
  O     11.92975396     11.19282751    -13.79231682
  H     12.14724280     10.80366539    -14.65138103
  H     15.65741773     10.74385014    -14.77599504
  O     15.59485239      6.58567545    -14.02222277
  H     12.61808398     11.84162413    -13.61030590
  H     15.09541393      8.32704090    -14.19211308
  O     17.60357719      9.90622253    -11.65377962
  H     16.46983826      6.78014831    -13.66205549
  H     14.08291775      9.37074239    -14.75695384
  O     12.11681750      7.18923184    -16.35622141
  H     15.01640130      6.37511537    -13.27663703
  H     11.37942080      9.96928897    -12.68308154
  O     15.13660745      7.45331000     -8.70499476
  H     16.67886201     10.18881077    -11.62475845
  H     10.19275427      9.43378972    -11.84951164
  O     13.89673971      6.22445900    -11.86875648
  H     18.00490308     10.35585482    -12.41204613
  H     17.95356448      6.76521342    -10.07981892
  O     14.92716576     10.58968819    -11.80236860
  H     11.41882817      6.70248607    -16.78608996
  H     17.12372534      5.51735024    -10.42344471
  O     16.58419284      8.70011673    -17.28131226
  H     12.00022998      7.05832859    -15.39740569
  H     11.50723563      7.72206619    -13.17623059
  O     15.36520721      4.98877587     -9.81105026
  H     15.97762239      7.90875091     -8.83682162
  H     12.49006010      6.54127724    -13.09961261
  O     18.78225391      8.42721554    -15.41719277
  H     14.47181963      7.94109541     -9.20923496
  H     18.64549729     10.17099442    -14.61193817
  O     14.91281164      6.58892574    -16.71266629
  H     14.33681723      5.65222007    -11.22862647
  H     17.64725386     11.33326933    -14.48578981
  O     15.87292398     11.61831932    -15.13817776
  H     13.75752157      7.07276740    -11.42418062
  H     18.09476438      6.79681324    -12.23265955
  O     14.82644952      9.25204177    -14.15247032
  H     14.67936824     11.48040726    -12.07235805
  H     17.83987689      8.28823078    -12.54603387
  O     11.09131408      9.24087128    -12.10445533
  H     14.83639880     10.04092032    -12.60103146
  H     17.75721225      9.06142099    -10.09018579
  O     17.93818571      5.98339899    -10.64678569
  H     16.02625843      7.91636853    -17.15826931
  H     18.35946664      8.90993792     -8.67741351
  O     11.84105949      6.96601347    -13.67404374
  H     17.33107659      8.60784172    -16.68141247
  H     15.59397885     10.03967637    -17.58463853
  O     18.41880973     10.93361344    -14.06507623
  H     15.19043417      4.28279373     -9.19467198
  H     15.04794487     11.08503044    -18.58954118
  O     18.01466817      7.43196626    -12.95938364
  H     15.26255827      5.82513201     -9.32021955
  H     13.95400518      9.39541562    -10.87913091
  O     17.73605988      8.51861523     -9.28472101
  H     19.59540404      8.03642205    -15.72966427
  H     12.52091960      8.84084507    -10.95391924
  O     14.98915885     10.80080735    -17.68223807
  H     18.56618081      7.97925579    -14.58287799
  H     14.83439165     12.55336340    -13.99330586
  O     13.38900853      8.67444621    -10.56573377
  H     13.95877010      6.72026187    -16.68598168
  H     14.34689765     13.82909533    -13.26942029
  O     14.23168199     12.88308614    -13.30551973
  H     15.17784503      6.42694008    -15.79553932
  H     13.49546981     10.16755247    -16.71947559
  O     12.85932708      9.85964274    -16.06144130
  H     15.64231395     11.56227569    -16.07318505
  H     12.56228069      8.97388909    -16.30982599
          69
 Energy    -251.03590997893662     
  O     20.45699307     11.63957115    -13.92704748
  H     20.49968161     11.12812223    -13.10597647
  H     18.86019171      9.19787404    -14.81518542
  O     15.51512453     15.63618885    -14.79651503
  H     19.93895344     11.10113566    -14.54209350
  H     17.99499976     16.10104561    -16.65473394
  O     20.03013234     15.92049312    -14.30315171
  H     14.81090165     15.29668796    -15.36659285
  H     17.07719055     16.50627163    -15.48591703
  O     15.45167821     13.50168956    -18.31188971
  H     15.23654803     15.48855680    -13.88418661
  H     15.48727422     10.86067787    -14.20008278
  O     18.93732450     10.77155912    -18.14447906
  H     20.51850589     16.68821678    -14.01839975
  H     15.67518939     11.58000163    -12.83013124
  O     17.70367031     10.80803826    -10.26013836
  H     19.30145783     16.24251775    -14.86273010
  H     19.28791675     14.52723285    -13.34826763
  O     18.72389895      8.03728293    -13.36743038
  H     15.65762552     12.57953525    -18.50735923
  H     19.47369321     12.97794865    -13.28848089
  O     21.20480115     13.68677883    -15.70531822
  H     16.30398072     13.95483118    -18.26445468
  H     16.56834150     11.86423757    -15.66550607
  O     20.42912715     13.19281726    -18.24112769
  H     19.48548745     11.56287969    -18.20786843
  H     16.12605377     10.82058241    -16.73170910
  O     13.67794546     14.25603011    -16.41397822
  H     19.07727946     10.40569073    -17.26116059
  H     19.34269245     10.31096944    -11.17413831
  O     16.61823448     12.85145416    -11.76137103
  H     17.63237966     10.97728651     -9.32391064
  H     19.71625459      9.26516905    -12.23748266
  O     18.85942418      9.93197001    -15.44264518
  H     17.29687522     11.56576155    -10.71179650
  H     14.04229850     14.16399137    -12.76155953
  O     17.94594542     16.67056598    -15.87458363
  H     17.89409591      8.27108415    -12.91371932
  H     14.01829520     15.22653080    -11.63310888
  O     15.11878473     10.94939398    -13.30761417
  H     18.80537040      7.08851468    -13.32069974
  H     13.77521989     12.20756689    -13.71402951
  O     18.87312557     13.70379093    -13.06146786
  H     20.88604962     14.48107152    -15.26172972
  H     13.38533787     13.29371769    -14.75799837
  O     16.28129379     10.94446039    -15.78860236
  H     21.10353450     12.96003081    -15.07588074
  H     15.90443444      9.44717691    -12.47025792
  O     20.06294729     10.02105014    -11.74655707
  H     20.75838111     13.36507843    -17.34031487
  H     16.89165553      9.41950625    -11.29394601
  O     14.59663396     14.77854342    -12.24457358
  H     21.15507608     13.36110011    -18.83579737
  H     17.84027156     13.47989714    -14.54762054
  O     13.29285811     13.03709972    -13.83262903
  H     12.90307135     14.57956497    -16.86690359
  H     16.58014349     14.17911430    -15.10290044
  O     16.53452890      8.87825163    -12.00931452
  H     14.29231856     13.95227810    -17.10552903
  H     17.80331703     14.07919932    -16.86726754
  O     17.19598441     13.45216006    -15.26506095
  H     17.42692919     13.19610644    -12.17024178
  H     18.82366446     14.13671092    -18.02625847
  O     18.00007799     14.52348733    -17.70694959
  H     15.95674966     13.55172427    -11.80713760
  H     17.24395508     10.79524821    -18.52059286
  O     16.27222630     10.80234637    -18.59952694
  H     17.94210698     10.23229216    -15.51365611
  H     16.04227514     10.12135413    -19.22544244
          69
 Energy    -251.03578493763106     
  O     11.58330767      6.27716584    -12.64994627
  H     12.07516230      5.62767048    -13.16885455
  H     15.67043626      5.63982007    -16.28607610
  O     17.43421094     10.23380222    -14.41114419
  H     11.37330570      7.01202001    -13.23620173
  H     16.35436035      5.85752304    -14.27660710
  O     17.26545339      8.40385009    -12.35922911
  H     17.25872749     11.10999764    -14.04518899
  H     17.89320469      5.92252785    -14.19277325
  O     16.57262273     12.66513933    -13.31798956
  H     16.71669326     10.04935588    -15.03312113
  H     14.15084516      7.86059448    -12.06827263
  O     13.51332267      6.77929739    -10.76482592
  H     17.43309684      9.04760968    -13.06274929
  H     15.45989705      8.49839224    -12.61189416
  O     15.33983103      9.85867132    -16.27681795
  H     17.26954927      7.52194146    -12.75752444
  H     13.78062465      8.20816070     -9.67727894
  O     14.26811759     11.92944289    -14.85801378
  H     16.96250797     13.53012816    -13.22607117
  H     14.99316557      9.11275651     -9.37371831
  O     17.04116259      6.02364739    -17.35899995
  H     16.26532420     12.39847595    -12.43251215
  H     13.04192323      3.43151547    -14.19530223
  O     11.13167994      8.67676813    -14.27516343
  H     14.14686689      6.07082234    -10.95162439
  H     13.90634754      4.66107941    -14.55228525
  O     15.19962505      4.85432236    -11.78333581
  H     12.71695719      6.59146225    -11.28374939
  H     12.64162003     10.88962065    -12.03041337
  O     13.63802531      7.91785676    -15.28134400
  H     14.73676038      9.14166344    -16.03894695
  H     13.41210421      9.83903721    -12.84987541
  O     15.02532389      5.58094318    -15.56689992
  H     14.94521030     10.66926363    -15.92080526
  H     20.11391528      5.78457864    -15.54541039
  O     17.08989490      5.96556485    -13.65815688
  H     14.99676067     12.29979071    -14.34466378
  H     19.27776933      7.08240116    -15.65647258
  O     14.50978238      8.43756189    -12.75639467
  H     13.65654567     11.54703303    -14.21575306
  H     17.55338496      9.25898777     -9.27226172
  O     14.03517606      9.05316378     -9.27942055
  H     17.04136958      6.92568549    -17.70215926
  H     17.04608799      9.01281345    -10.71037230
  O     13.29777857      4.29766791    -13.88715670
  H     17.83651430      5.94752993    -16.81752970
  H     16.44732852      9.23152067    -17.51419800
  O     12.71383570     10.51002558    -12.91445506
  H     10.28456931      9.02115955    -14.54633672
  H     17.02050133      9.21310032    -18.94884825
  O     19.22672211      6.12641730    -15.47639192
  H     11.57494403      9.38554869    -13.77933833
  H     14.76581444     11.77026951    -10.68687386
  O     16.82489446      9.43396344     -9.86280270
  H     14.55859216      4.53664601    -12.43226212
  H     16.13141287     11.07709464    -10.49773670
  O     17.10516681      8.80631825    -18.09025832
  H     15.96596508      5.14215318    -12.29324446
  H     18.72878770      9.35138013    -15.44880314
  O     15.70102936     11.83434540    -10.91323202
  H     12.69954645      8.11686196    -15.19217984
  H     18.58526009      8.81929591    -16.88093244
  O     19.14440207      8.76599900    -16.09518412
  H     14.00903787      8.03269046    -14.39022587
  H     12.44227316     11.76337640     -9.57513628
  O     12.95966098     11.32660168    -10.24582207
  H     14.49738900      6.39269150    -15.58400220
  H     13.27448245     10.48918608     -9.85663637
          69
 Energy    -251.03539155769482     
  O     13.76407768     10.20112796    -17.03009358
  H     13.18109259     10.76691948    -17.52926368
  H     13.91005240      3.64926162    -13.20655221
  O     15.54710259      6.70335014    -12.26935115
  H     13.66516832     10.45485038    -16.09433694
  H     17.35988341      8.56771557    -17.64689683
  O     19.29408937      9.02614109    -13.56805498
  H     15.62691563      7.15109146    -13.12819072
  H     18.51975875      7.67093310    -17.15264306
  O     19.92846187      7.55989197    -15.80027776
  H     15.07904010      5.88144795    -12.45605031
  H     16.67245162      7.04220876    -14.95397391
  O     12.52938218      6.74075818    -14.20700045
  H     18.55827275      9.52248770    -13.95731633
  H     15.27042817      7.60378574    -15.36404799
  O     17.38942359     12.01267576    -10.51382356
  H     19.55223893      9.50029119    -12.76489590
  H     14.16252635     11.12699568    -13.82210007
  O     14.48804460      8.99733425    -11.16612329
  H     20.85265400      7.61379379    -16.02980734
  H     12.93629291     10.19919111    -13.85737245
  O     17.06980359     10.22361644    -14.59682476
  H     19.80247385      8.12476777    -15.01863044
  H     19.10343054      7.46219494     -8.95985448
  O     15.84401318      4.41654313    -15.58497751
  H     12.88598642      6.95420534    -15.08054618
  H     18.56243573      7.50665185    -10.40520336
  O     16.42170476      9.80833077     -9.26800923
  H     12.99603188      5.94903846    -13.91643214
  H     11.19742033      8.98302108    -12.46237702
  O     18.12449592      5.72406227    -14.69185201
  H     17.03140099     11.27747525     -9.98252216
  H     12.24217606      8.12745185    -13.21757739
  O     14.18521975      4.53325696    -13.43373685
  H     17.42933335     12.77360008     -9.94054329
  H     18.57624439      7.60854059    -12.59050582
  O     17.72035254      7.66809703    -17.68709354
  H     14.86795404      8.15404038    -11.45154196
  H     17.33447911      6.79675296    -12.06492130
  O     16.00547135      7.70786345    -14.74686296
  H     13.60282091      9.02621229    -11.55029012
  H     18.93369694     10.95030401    -10.99424595
  O     13.46780718     10.79254308    -14.40208604
  H     16.58773742     10.68337418    -13.89810060
  H     19.38671161      9.56696448    -10.50184251
  O     18.64156344      8.01748437     -9.58321315
  H     16.64398263      9.35637235    -14.69344781
  H     16.45779000      6.52925206    -17.93176055
  O     12.12148582      8.93999949    -12.69331400
  H     15.72582232      4.81791537    -16.45343156
  H     15.71998900      5.58700640    -18.91226272
  O     18.30295634      6.84383304    -12.06138239
  H     16.71895662      4.70093131    -15.28416712
  H     16.16454099     11.66311240    -11.90269210
  O     19.59319761     10.26082189    -11.13967000
  H     17.10482654      9.12700891     -9.29864537
  H     15.20971063     10.45799713    -12.04796924
  O     15.69131158      5.93330165    -18.02466206
  H     15.67598848      9.48276143     -9.78983617
  H     16.88013421     10.38275446    -16.44682089
  O     15.55247185     11.23489904    -12.51313271
  H     18.81927351      6.20535988    -15.15917579
  H     15.65775473     10.24535957    -17.36058667
  O     16.61952157     10.17832621    -17.35560411
  H     18.27131394      5.88238993    -13.75141353
  H     13.80634304      8.37221420    -16.84173936
  O     13.87468356      7.45543584    -16.54231489
  H     14.74775766      4.45516242    -14.22528792
  H     14.39007425      6.95421345    -17.18740866
          69
 Energy    -251.03385051629056     
  O     13.42749600      6.50206367     -7.99947219
  H     13.22653713      6.42468366     -7.07078305
  H     14.82189603      7.95964357    -12.84658018
  O     13.83019069      5.00525742    -15.87891395
  H     12.60998599      6.28770851     -8.48418383
  H     12.74973205      6.95849885    -13.42567639
  O     16.80984102      6.89696261    -14.78028008
  H     14.30322791      5.69918823    -16.35441969
  H     12.86066679      7.86043175    -12.15813561
  O     10.00039048      6.04493774    -12.93199074
  H     14.47267036      4.61661499    -15.27222488
  H     11.23078498      5.22005286    -10.06799010
  O     18.01940024      4.53586754    -10.24241853
  H     16.33814490      7.09328046    -15.59670339
  H     10.72583010      6.66239123     -9.86638062
  O     11.40490295      3.97906856    -11.50046252
  H     16.46975719      7.51417049    -14.11334253
  H     18.40872117      6.42073737    -13.95205152
  O     16.56244053      7.94043321    -10.32483590
  H     10.41759323      5.27513467    -12.52563182
  H     18.89632551      5.14162272    -13.24441564
  O     13.62133161     10.22029565    -13.73926651
  H     10.50824725      6.23451272    -13.73216175
  H     14.66274553      4.42628447    -12.60321612
  O     18.18010475      3.42089451    -12.70941364
  H     17.13611933      4.75819293     -9.91800974
  H     13.74238360      5.55564622    -12.08462597
  O     12.95187142      9.04648739    -16.07476412
  H     18.49783942      5.37197801    -10.29901391
  H     14.35119040      8.01159837    -16.66889859
  O     11.83829449      6.65301002    -14.96702207
  H     11.24671959      3.03840818    -11.49796813
  H     15.24225046      7.60972857    -17.86396735
  O     15.64830327      8.46613277    -12.88349374
  H     12.35570923      4.10257984    -11.65982663
  H     16.62642097      3.91378829    -13.60282258
  O     13.26167831      7.11372665    -12.62156596
  H     17.50942454      7.78357444    -10.42605771
  H     16.18224149      5.25390323    -14.22722220
  O     11.21593143      5.95041556     -9.43795713
  H     16.17162731      7.08112812    -10.10901144
  H     19.19942002      6.80141080    -11.76129058
  O     19.08785015      6.08096281    -13.35410296
  H     13.04357300     10.10984877    -12.97174362
  H     20.06973960      7.43985219    -10.65363618
  O     14.03142397      4.64467760    -11.90568236
  H     14.46829615      9.83692054    -13.47440750
  H      9.85023385      7.29383556    -11.72549807
  O     15.04995319      7.40153292    -16.95241953
  H     18.10683487      3.74703761    -11.79412908
  H      8.94331198      8.19280379    -10.85193702
  O     15.86324615      4.37617044    -13.97132125
  H     18.67140543      2.60491896    -12.67196506
  H     14.79009336      5.73466363     -8.99219954
  O     19.19934284      7.09449497    -10.83240080
  H     13.18537576      9.49820786    -15.24333871
  H     14.94373586      5.09505841    -10.39933622
  O      9.84917522      7.92560298    -10.98339945
  H     12.44474579      9.67005599    -16.58828595
  H     13.80038916      8.17267389     -8.85464802
  O     15.43892674      5.44965296     -9.64761502
  H     12.07211644      7.47787010    -15.40766760
  H     14.94194478      8.79032197     -9.67563741
  O     14.02279492      8.92592866     -9.41519008
  H     12.43954226      5.97037644    -15.30511331
  H     11.36101371      9.02134753    -11.19570413
  O     12.22115022      9.38983642    -11.43048678
  H     16.04222064      8.39003324    -12.00480418
  H     12.80687117      9.32342456    -10.65877833
          69
 Energy    -251.03364830051342     
  O     10.72812567      9.76400061    -14.04175485
  H     10.57120882      8.92159895    -14.48570049
  H     17.50561808      6.27257668    -15.49580700
  O     14.73441930      6.32744610    -14.21023737
  H     11.55006025     10.11119982    -14.41225718
  H     16.21325021     10.80791249    -16.18729325
  O     16.77643087     11.70887320    -11.55294898
  H     15.55099620      5.95087623    -14.55915124
  H     15.68339064     11.86140443    -17.18750103
  O     17.57132351      7.63427680    -16.52563298
  H     14.21733348      6.71927787    -14.92859328
  H     15.50598215      7.90752537    -13.69000065
  O     13.14465703      7.75409983    -15.92569691
  H     17.06776305     11.23108145    -10.76573694
  H     15.47810715      9.31209776    -12.99579130
  O     15.59302284      8.41886362     -9.20214136
  H     17.52255229     11.67394286    -12.16211927
  H     10.61445785      9.46824507    -12.32466137
  O     13.70193741      6.24606174    -11.68288986
  H     17.77411406      8.48914776    -16.12895952
  H      9.81346700      9.59895093    -11.00703708
  O     14.41822854     10.66150831    -12.46072917
  H     16.77637224      7.78376368    -17.05891722
  H     18.81348637      9.32716128    -10.73709047
  O     15.20226845      8.37337430    -17.76443092
  H     13.20856999      8.65564758    -15.57664551
  H     18.95367328      8.17539599    -11.75959829
  O     16.15393448      5.84017279    -10.30008212
  H     12.24726704      7.44988532    -15.74159747
  H     11.86082489      6.26985864    -12.09004792
  O     17.49764133     10.12774043    -15.15512345
  H     14.74070340      8.65024897     -9.59350760
  H     10.74783153      7.32789636    -11.94533244
  O     17.37327268      5.52742461    -14.87982120
  H     15.77734491      7.51173214     -9.47347298
  H     19.95411540     11.68712251    -13.12245946
  O     15.44106825     11.06687205    -16.71868696
  H     14.44436646      5.97394042    -11.13182212
  H     19.26740009     10.39863670    -12.61456790
  O     16.05534517      8.63133091    -13.36261707
  H     14.02241505      6.21296547    -12.59757293
  H     17.20432012      7.53691510    -12.58668420
  O     10.57142790      9.17259970    -11.39724110
  H     15.17966365     11.13886152    -12.09740002
  H     17.80349894      6.23559649    -13.13656409
  O     19.30943048      9.03747011    -11.51508820
  H     14.00660067     10.13741907    -11.76031488
  H     17.95694630     10.36574645     -8.54217064
  O     10.97642792      6.50650183    -12.39798248
  H     14.42889550      8.05539826    -17.28077510
  H     16.93868092      9.48510370     -9.30201960
  O     19.14194017     11.18998454    -13.16889580
  H     15.24332226      9.31994288    -17.58213058
  H     13.40978624      7.95817595    -11.08634842
  O     17.76046894      6.77872475    -12.34047913
  H     16.55735872      5.10159112     -9.85094787
  H     12.31786507      9.02123144    -10.81566709
  O     17.70834936     10.07107245     -9.41421692
  H     16.77246588      6.11854648    -10.99605151
  H     13.96385920     10.72789674    -15.60322538
  O     13.26099357      8.84044519    -10.71574709
  H     18.14700798     10.57278437    -14.59819922
  H     13.68615296     10.55233446    -14.08652350
  O     13.32566994     10.37921273    -14.96943885
  H     16.97701347      9.56994002    -14.55549701
  H      9.84972907      6.56237471    -15.36985209
  O     10.58469888      7.06507018    -15.02957640
  H     17.71208956      4.75032406    -15.31533751
  H     10.71782513      6.78109609    -14.10741381
          69
 Energy    -251.03279650202603     
  O     14.55300134      9.04019046    -10.18488429
  H     14.62070394      9.90359595    -10.61366392
  H     14.93770101      5.58655311    -15.97713708
  O     14.22625467     12.10324871    -15.27499031
  H     15.27394722      8.95396571     -9.54793796
  H     12.13951133      7.30445312    -11.10432087
  O     17.39214033     10.47294354    -12.61815612
  H     14.42900363     12.74973741    -14.58692275
  H     13.21092816      7.80494317    -10.12521396
  O     12.49153792      5.80320046    -14.14949559
  H     13.65005500     11.45126806    -14.85791688
  H     19.24770230      6.47168662    -15.14508993
  O     16.66322888      5.90077755     -9.38007055
  H     17.84094426     10.03182012    -11.88254406
  H     18.14776821      7.51167192    -14.85000046
  O     17.57106741     12.85868183    -14.05467698
  H     16.48389420     10.65190899    -12.34428786
  H     16.07698559     13.51748126    -13.41168264
  O     15.36900914      7.46278376    -12.37084574
  H     13.12682579      5.33664033    -13.58934704
  H     15.15814237     14.63269875    -12.85496225
  O     14.74629695     11.18682223    -11.90483257
  H     12.92044652      5.88397817    -15.00852305
  H     12.37356511      9.40140577    -13.37517695
  O     17.90477664      6.56202697    -11.86144601
  H     15.81904320      5.46753774     -9.55464703
  H     13.63683839      9.46093230    -14.25641866
  O     18.49419487      9.01290411    -10.59909950
  H     17.15988360      5.90632657    -10.20851803
  H     16.63062953     11.80019571    -17.32373171
  O     16.14988653      4.85408963    -14.99330681
  H     17.40570098     12.50678329    -14.93706154
  H     15.74177630     11.65766176    -16.06832795
  O     14.23406557      6.10245299    -16.41321697
  H     17.69475509     12.08155210    -13.48976460
  H     10.44566314      7.82195821    -12.86267642
  O     12.61500762      7.06282946    -10.30183654
  H     15.02830771      8.01708788    -11.65835438
  H     11.75745082      7.13859014    -13.30962479
  O     18.42774566      6.59901339    -14.67310449
  H     15.11391514      7.84053780    -13.22085035
  H     13.59456911      4.23598425     -9.24068367
  O     15.17568829     13.71097142    -13.09630580
  H     14.10441120     10.79588196    -12.51669689
  H     13.49863467      5.58117043     -9.99765981
  O     13.02238298     10.01155106    -13.74455134
  H     14.83625145     12.11396011    -12.15475373
  H     14.87700009      5.76321831    -12.52497597
  O     16.63052911     11.48070138    -16.42525975
  H     17.01803241      6.92705151    -12.01721459
  H     14.43582485      4.54579292    -11.70910092
  O     11.39553066      7.88051934    -12.79221319
  H     18.27793300      6.44167947    -12.74017409
  H     15.75565776      8.65088821    -15.09052793
  O     14.05476024      4.79238449     -9.86316900
  H     18.46535977      8.13556159    -11.00516984
  H     14.62799733      7.65630442    -15.53505438
  O     14.63678790      4.82615475    -12.60861721
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  H     16.82537145      8.48212639     -7.51897525
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  H     16.94451076      5.37807433    -14.83896626
  H     17.32206085      9.92898020    -15.64783910
  O     17.49270263      9.19620154    -15.04207416
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  H     17.51260356      9.58357641    -14.15182351
          69
 Energy    -251.03064739286481     
  O     17.16092267      9.77021656    -15.29115695
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  H     13.22137516      9.45846154     -8.76769572
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  H     13.84426342     13.45746713     -9.87342553
  H     11.04872685      6.15465393    -13.48204529
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  H     19.31371764      5.80747845    -12.48564757
  H     11.44009233      6.07428553    -11.99782052
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  H     17.91030024      6.11169681    -13.06031910
  H     15.83041638      5.46650852    -14.04548368
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  H     14.43187012      7.68441397    -15.83161994
  H     11.73280693     10.61069648     -9.82495633
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  H     13.89993654      6.29782362    -14.22813903
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  H     13.09298962      5.30002213    -13.38089523
  H     11.80020173      8.17311742    -11.45545968
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  H     14.40462722      9.74477892    -13.07236305
  H     11.96787328      7.96762208     -9.93632065
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  H     14.37352402     10.86123191    -14.15013517
  H     11.83723437      7.62024750    -15.10431851
  O     16.72376252      5.75541791    -14.27235014
  H     17.36450465      8.28632641     -9.17274511
  H     10.37826647      7.53198405    -15.60438574
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  H     16.50268830      9.51534286     -8.81219676
  H     19.23943560     11.33766896    -10.32041508
  O     11.96505988      7.50007652    -10.78003101
  H     14.99957922      9.69587619    -10.21788932
  H     18.12506371     10.31776773     -9.98307402
  O     10.91038739      7.58249223    -14.81416306
  H     14.61158880     11.02200590     -9.52924304
  H     15.97302878     12.25195685    -13.65787207
  O     18.45635158     10.92301183    -10.67187856
  H     17.64930351      6.48194002    -10.70277347
  H     15.65837625     12.96536178    -14.99455262
  O     15.68656306     12.10836729    -14.57859389
  H     16.19745947      6.46476015    -10.20303403
  H     18.32994696      9.69379950    -12.04958588
  O     18.01506522      9.09734137    -12.74062339
  H     12.22992724      9.11459118     -7.63089803
  H     18.33518742      8.20395921    -12.55840740
          69
 Energy    -251.03015628823488     
  O     -7.42512901     -2.02903662      6.14528520
  H     -6.52654477     -1.71103724      6.27896533
  H     -4.67997972      0.77147455      1.23375374
  O     -9.55938637     -1.87624683      2.14864009
  H     -8.02155862     -1.30309369      6.38239106
  H     -6.64413650      0.76486971      4.24988067
  O     -8.19312502     -3.51402093      4.05448217
  H     -9.86192584     -1.12633095      2.67701892
  H     -6.78291517     -0.44330583      3.26808866
  O     -6.14950249      0.81111264      0.06212899
  H     -9.21795044     -2.51390663      2.78882241
  H     -4.38903959     -1.05200887      5.45699368
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  H     -4.08772786     -1.29847838      6.95587520
  O     -5.07213950      5.38790005      0.44201487
  H     -8.36857688     -4.40397000      4.34613197
  H     -1.20573006      2.42313835      0.06175066
  O     -9.14094028      0.09576506      6.58164058
  H     -6.60942261     -0.03366792     -0.00215816
  H     -2.24659599      3.20494145      0.90139436
  O     -3.94042963     -1.15618245      3.79011515
  H     -6.76746310      1.40915345      0.50920309
  H     -9.24157025      3.75692589      4.03313597
  O     -4.65894647      3.04198314     -0.88587725
  H     -6.43077258      1.90735968      6.19415419
  H     -7.82981754      4.37696535      4.01723244
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  H     -5.38853496      0.73365228      6.06639994
  H    -10.91663013      3.20781895      2.04365671
  O     -7.63664663     -1.61189627      0.23764624
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  H     -9.46745356      2.67918919      2.16715433
  O     -3.91413628      0.87095065      1.81475916
  H     -5.13505945      6.10576086     -0.18222964
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  O     -7.15082653      0.41493497      3.50650222
  H     -9.60475238      0.15062101      5.73562776
  H     -6.83416137     -2.73110119      3.10158770
  O     -4.75026815     -0.96264289      6.35850424
  H     -8.80130445      0.98184721      6.75114205
  H     -8.08055229      3.26474125      7.61473403
  O     -2.12639796      2.44241828      0.30679421
  H     -3.76873079     -0.43997406      3.16661370
  H     -8.18971978      3.22439100      6.07262705
  O     -8.54032182      4.08928229      4.60524797
  H     -4.64571742     -1.67347399      3.37455997
  H     -3.23206177      4.04673830      2.71001690
  O    -10.28333354      2.85905035      2.66560356
  H     -5.19086920      2.25176839     -0.72875764
  H     -3.49158671      4.95694599      1.49535149
  O     -6.21734101     -2.16319679      2.62007565
  H     -3.75454490      2.80256163     -0.64648219
  H     -4.26092270      2.18799461      3.03067988
  O     -7.95102784      2.69961139      6.85773913
  H    -10.20682840      1.16698417      3.52533174
  H     -4.76416827      2.50191776      4.46118704
  O     -2.79363802      4.48786865      1.96907549
  H     -8.94226936      0.32022845      3.81742416
  H     -7.55405785      1.64118721      2.30628163
  O     -4.40306508      2.90800934      3.66196150
  H     -8.38454848     -1.65020812      0.86126195
  H     -7.32818263      3.13766680      1.95178058
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  H     -5.73215160      3.98389283      3.11360851
  O     -6.44813039      4.50847857      2.72294952
  H     -3.21396176      1.27573257      1.28733866
  H     -6.06648343      4.96059332      1.96036159
          69
 Energy    -251.02864935195367     
  O     -6.71156102      1.54817967      1.05297237
  H     -6.78607670      1.85345538      1.96491259
  H     -0.78903485      4.34911457     -0.53601982
  O     -4.60991397      1.81502478     -2.43526546
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  H     -4.40302078      3.82811275      0.26393981
  O     -6.29100950      2.43950581      3.69593910
  H     -3.87538694      2.23655710     -2.89462484
  H     -3.78674978      2.41523373      0.40060281
  O     -1.08509170     -1.36892233      2.74662415
  H     -4.63541399      2.24519153     -1.56568676
  H     -0.91115954      1.24791085      0.17673779
  O     -3.12482744     -1.15982876      0.84100405
  H     -5.52778328      3.02811883      3.55249590
  H      0.43918354      0.51695093      0.40045943
  O     -3.68214425     -0.78951272     -1.87014641
  H     -6.83380822      2.85366179      4.36137647
  H      1.67772034      3.77393474     -0.31573011
  O     -5.84971751     -1.08697904      1.39503942
  H     -1.76286450     -1.45468900      2.06264846
  H      0.59655914      2.68422513     -0.12772703
  O      1.18674958     -0.18565709      1.93470594
  H     -1.53338779     -1.01424112      3.52415761
  H     -6.80364085     -2.57638778     -1.73709211
  O     -1.24144098      0.45192082     -2.70156861
  H     -4.04191723     -1.19284274      1.14523603
  H     -6.62526232     -1.06016902     -1.47929376
  O     -2.50669216     -0.12895720      4.86678561
  H     -3.16848055     -1.09548874     -0.12268774
  H     -0.95770691      2.46305121      3.48711680
  O      0.69792803      2.51291062      2.81038891
  H     -3.99677771      0.10548800     -2.06615783
  H     -2.02466554      1.53835036      4.17335455
  O     -1.65086838      4.61618706     -0.87727002
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  H     -5.36873060     -0.60031550      3.17972540
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  H     -6.16996536     -0.18050654      1.27080288
  H     -5.48094212      0.74996838      3.91990327
  O     -0.06300465      1.03262858     -0.24327831
  H     -6.05197881     -1.55235905      0.57461121
  H     -2.27248370      1.78974800      1.97461816
  O      0.83411730      3.60038200      0.09572951
  H      1.92467658     -0.77038691      2.08175117
  H     -2.70674449      0.56895876      1.09314002
  O     -6.24172257     -1.93928396     -1.30448400
  H      0.39206479     -0.64994280      2.25686971
  H     -3.80551792      6.31969090      0.65595715
  O     -1.90358130      2.34894156      3.66374456
  H     -1.96981240     -0.14736877     -2.49777831
  H     -2.86952711      5.16430724      0.23441165
  O     -5.04071850     -0.10925643      3.94222480
  H     -0.73146292      0.55045634     -1.88515238
  H     -7.15738878      1.00563197     -0.74979278
  O     -2.44463770      1.49990388      1.06897793
  H     -3.43043241     -0.15757266      4.55726614
  H     -6.35580786      1.09633567     -2.06976359
  O     -3.61225790      5.40059986      0.81972657
  H     -2.51512922     -0.39754837      5.78158600
  H     -3.30589192      3.50922551      3.51273956
  O     -7.07540911      0.62200916     -1.63267389
  H      0.95600988      1.61000434      2.58419803
  H     -3.91126905      4.54230725      2.53493780
  O     -4.11231647      4.00389634      3.30804124
  H      0.78040661      3.02303501      1.99663113
  H     -1.75479344      2.07750219     -3.08142452
  O     -2.12313547      2.96851183     -3.21988487
  H     -1.82174831      4.07642946     -1.65824874
  H     -1.83881195      3.24844617     -4.08645492
          69
 Energy    -251.02756231498665     
  O     16.31545475      8.22605921     -9.87739415
  H     15.85773241      7.52128659     -9.40441168
  H     12.27656828      7.97547295    -15.60660862
  O     10.76592118      9.10417262    -12.79646862
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  H     15.26458293      4.72852103    -12.77437577
  O     12.40382888      3.58260122    -12.72838276
  H     10.34338911      8.24808191    -12.66446889
  H     14.43173191      5.84770355    -13.42480951
  O     14.78317192      5.74776967    -16.20462073
  H     11.27605960      9.03472497    -13.61584027
  H     15.05393401      7.91419873    -13.26271745
  O      9.60870484      6.48307441    -12.34581463
  H     13.19274873      4.02741506    -13.07668990
  H     13.57364374      7.97419077    -13.76824277
  O     12.16555304     10.09940223    -10.70980327
  H     12.05444548      4.14368148    -12.02211412
  H     15.42998325      9.64771081    -10.64813530
  O     16.13498373      4.66255631    -11.14984759
  H     14.81966112      5.29572308    -15.35126358
  H     14.06130420     10.30899613    -10.98823566
  O     16.42813587      7.86416753    -16.41121783
  H     13.84941032      5.91415390    -16.38426657
  H     13.59403371      2.71668665    -11.44655386
  O     12.84542300      3.82707069     -8.65525995
  H     10.14137961      6.00993718    -11.68552272
  H     14.97076505      3.12676041    -10.87569607
  O     12.03521192      6.38309677    -16.54559525
  H      8.69542004      6.36368032    -12.09448216
  H     12.65370045      8.34157807    -10.48941946
  O     14.66823082     10.05686957    -15.79180402
  H     11.64111124     10.73564069    -10.23195311
  H     13.44169467      7.49545961    -11.51681119
  O     12.44021186      8.69700386    -14.98706206
  H     11.63814471      9.82087692    -11.48111276
  H     11.29742482      4.41463014    -14.02809372
  O     14.68761561      4.91774737    -13.52526942
  H     15.65470371      5.10133404    -10.43226973
  H     10.32257865      5.59636943    -13.88011778
  O     14.16551252      7.56859206    -13.12057896
  H     16.86895238      5.25103450    -11.36521284
  H     11.93011909      6.05530047    -10.65686103
  O     15.00855252     10.35734754    -11.15432618
  H     15.84398349      7.08467785    -16.37662761
  H     11.70826681      4.73272848     -9.88927145
  O     14.17714049      2.61123058    -10.68376079
  H     16.98466984      7.75668342    -17.17740756
  H     15.68950869     10.81682907    -12.64031467
  O     12.98822698      7.45409402    -10.66094337
  H     13.32575422      3.30464486     -9.32328907
  H     16.56932673     11.82816546    -13.41346350
  O     10.81201855      5.08052899    -14.53142941
  H     12.67034929      3.24230626     -7.92314319
  H     14.13738896      5.28130649     -8.75414614
  O     11.39138921      5.24775408    -10.64028958
  H     11.57491069      5.88192329    -15.84787718
  H     14.10287128      6.55424871     -9.62070045
  O     16.12881303     10.98705700    -13.49495073
  H     11.53389055      6.26120153    -17.34744968
  H     17.61404899      7.28432291    -12.48263996
  O     14.69812973      5.97521464     -9.11803120
  H     15.27212905      9.37612683    -16.11392756
  H     18.90948188      6.79761901    -11.79377455
  O     17.95782495      6.74633736    -11.74935552
  H     15.11491068     10.48022321    -15.04803711
  H     16.74819503      9.27329760    -13.61048238
  O     16.86608866      8.31790100    -13.70310557
  H     13.13670252      9.26179236    -15.35537920
  H     16.81333402      8.11431551    -14.64683819
          69
 Energy    -251.02725502884431     
  O     13.89981225      3.12290371     -9.56434712
  H     13.31688369      3.13020898    -10.33524460
  H     11.19254217      5.79475951    -14.89199457
  O     18.06141236      7.97016706    -11.11788367
  H     13.48880814      3.72349622     -8.93120245
  H     13.28229362      5.18064919    -11.59796797
  O     12.88619003      8.16270084    -12.82153542
  H     17.88126254      7.23106005    -10.51764297
  H     13.49162392      6.67750689    -12.00828946
  O     14.82295363      8.57433714    -16.02828989
  H     17.99183032      7.61781571    -12.01240966
  H     15.60280286      3.15560054    -10.00459162
  O     16.53900860     10.17828502    -10.94246386
  H     12.42330540      8.58838936    -12.09025295
  H     16.95582107      2.40990690    -10.00373274
  O     14.64768588      6.66529827     -8.99864910
  H     13.75508680      8.58099641    -12.92404533
  H     12.61944730      9.27319883    -10.08283327
  O     17.29294718      5.87654723     -9.47829362
  H     15.02752856      8.96095291    -15.16691219
  H     11.21644126      9.90538978    -10.26489329
  O     12.70928206      6.84685602    -15.21424946
  H     13.97977929      8.11543977    -15.91669912
  H     11.19937789      7.37662102     -9.96839287
  O     12.54951414      5.10156091     -7.97624288
  H     17.08637671     10.93796629    -10.76452748
  H     10.55644050      6.07500307    -10.50574477
  O     16.52252674      6.49509378    -16.39236175
  H     17.12845984      9.40064066    -10.93603358
  H     15.77928101      9.59975031    -12.54787992
  O     17.24032822      6.93231027    -13.65031434
  H     14.43096839      6.41604050     -9.91055379
  H     16.04869733      8.32582709    -13.37979473
  O     10.63148746      5.07856218    -14.56545801
  H     14.02092381      6.18301816     -8.44775466
  H     14.44048528      8.46620079     -9.21377189
  O     13.90100488      5.92163186    -11.56920096
  H     16.43073049      6.18575948     -9.16755534
  H     15.01131646      9.70181117     -9.94885166
  O     16.52422380      3.20042367    -10.31629290
  H     17.15648475      4.95525902     -9.72250747
  H     10.07551740      5.16341813    -12.90883845
  O     11.73598566      9.13380861    -10.47290520
  H     13.37725009      6.15515229    -15.11952267
  H      8.94876466      4.79610182    -11.91920015
  O     10.97829248      6.46755689     -9.73249340
  H     12.68211961      7.32978983    -14.37263961
  H     15.30795109      5.16711628    -12.24626716
  O     15.44470763      9.07676527    -13.28654621
  H     11.95442668      5.57253426     -8.58722583
  H     16.33432689      4.05260029    -11.96688986
  O     14.22452929      9.36322131     -9.50643390
  H     12.09016063      5.03529838     -7.14354580
  H     12.42563052      3.33200872    -12.71466927
  O      9.86139060      5.07077456    -11.96364992
  H     15.95042077      7.28330501    -16.36000587
  H     11.39436301      4.01018512    -11.77397336
  O     16.02355655      4.65191356    -12.65434084
  H     17.01136826      6.54173697    -17.20927297
  H     13.38998800      3.58603064    -14.83066361
  O     12.28085241      3.62843288    -11.80742033
  H     17.19026318      6.79764975    -14.60320617
  H     12.74466177      2.19607785    -15.02552643
  O     12.64504853      3.02320893    -14.56080245
  H     16.92675604      6.10938521    -13.24729673
  H     15.32072723      5.23160889    -15.65667527
  O     14.71087958      4.76123672    -15.07550790
  H     11.16522517      4.28184709    -14.66962158
  H     15.18315072      4.63552285    -14.23828889
          69
 Energy    -251.02663328146284     
  O     11.51736602     10.55407300    -10.24218020
  H     12.44261528     10.74817799    -10.00981621
  H      9.20421556     10.71325025    -17.25735376
  O     14.82342725     10.85306285    -13.02829850
  H     11.04692042     10.44830126     -9.41920444
  H     13.71740174     13.77862909    -14.35228612
  O     16.74548048     13.74242703    -14.70472625
  H     14.79963244      9.99495577    -12.58889261
  H     13.17981398     14.46891598    -15.62705270
  O     10.79554195     11.87234178    -12.62830933
  H     15.66944705     11.27166097    -12.82400842
  H     18.01466627     11.56497571    -17.06915884
  O     11.49161548     14.82781455    -16.32484383
  H     16.98274039     13.06037569    -15.34562514
  H     17.34460611     10.82465787    -15.89111640
  O     14.51647630     12.01000404    -17.04259672
  H     15.84877423     14.02074419    -14.92909305
  H     14.27263984     13.59352634    -11.33985176
  O     16.11554243      9.07348588    -10.03836056
  H     10.92442578     11.48723963    -11.75245300
  H     14.81639947     14.53525520    -10.23910234
  O     13.28021826     13.07437935    -12.73379357
  H     10.95239485     11.15875844    -13.26567407
  H     17.74716965      9.61365422    -13.85803048
  O     13.87531094      9.89304992    -15.39653184
  H     11.07251538     15.65079795    -16.56116595
  H     16.87567143      8.77080353    -14.81626445
  O     17.97491183      9.99141930    -12.08954211
  H     10.86693305     14.34737913    -15.75207052
  H     12.15322576      9.82609651    -14.84015764
  O     14.10911976     11.08510246     -9.61494769
  H     15.46803247     11.84776884    -17.00797011
  H     10.68118857     10.11218268    -15.21540371
  O      9.84194110     11.00704473    -16.61256207
  H     14.34042539     12.73155461    -16.41940050
  H     14.74439381      8.34763197    -15.16140928
  O     13.97053527     14.07569726    -15.23781480
  H     16.35727252      8.40405178     -9.40266344
  H     15.15230513      6.87861530    -15.42540246
  O     17.24207267     11.56987967    -16.50993311
  H     15.60913675      8.62416474    -10.73811755
  H     11.72683815     13.29012683    -17.46121281
  O     14.91211292     13.66177477    -10.61013304
  H     13.79878813     12.25818419    -12.82463979
  H     12.77141245     12.19354779    -17.73810006
  O     17.50815624      9.49551741    -14.78908022
  H     12.35669238     12.79853885    -12.68342585
  H     11.74317727      9.09129612    -11.44232420
  O     11.25167688      9.83499894    -14.48792938
  H     14.03524100     10.54390126    -16.09100186
  H     11.60443660      8.78713160    -12.94956477
  O     15.29933529      7.61657711    -14.83933321
  H     14.25329743     10.27154691    -14.58640115
  H     16.40183670     13.01259108    -11.62659878
  O     11.83202475     12.40085248    -17.82259372
  H     17.81970001     10.94770831    -12.08034797
  H     16.95261227     13.04953523    -13.08819435
  O     11.96095503      8.44073045    -12.12147660
  H     17.47470156      9.64754381    -11.34226219
  H      9.65592634     12.52055552    -15.43402145
  O     16.95150099     12.54137385    -12.26189137
  H     14.45766148     11.95166455     -9.85473909
  H     10.02612331     12.92397125    -13.99507521
  O      9.80138907     13.28489472    -14.86209732
  H     14.84008261     10.46014967     -9.68952759
  H     13.69374928      8.16556940    -12.11129889
  O     14.66383275      8.17002393    -12.14021476
  H     10.56103422     11.44227795    -17.10544747
  H     14.93679482      7.83241008    -13.00119018
          69
 Energy    -251.02429838044759     
  O     14.85009949     12.27395728    -14.43346620
  H     13.94213991     12.25464256    -14.10980685
  H     18.94574930      7.11329565    -14.18164940
  O     14.52443808      6.28682011    -12.94966935
  H     15.37582896     11.87064302    -13.73115429
  H     15.15725196     11.49819282    -16.06720939
  O     17.95070821      8.87080879    -11.41238881
  H     13.88635006      6.72960415    -12.37091929
  H     16.15352480     10.46353480    -16.62708231
  O     17.24901824      9.15579918    -15.77150625
  H     14.02386363      5.77632927    -13.59793098
  H     14.89494276      7.82264182    -13.85734063
  O     14.49373013      9.57210915     -8.77634385
  H     17.61440353      7.97784584    -11.58598971
  H     14.13577377      9.00677359    -14.52529288
  O     12.70706323      7.67147846    -11.39647984
  H     17.81654992      9.03479775    -10.47068239
  H     11.37209502     12.14768887    -13.58433762
  O     15.94536502     10.53552976    -12.45626548
  H     17.97675745      9.24264844    -15.14445969
  H     12.20983200     10.92701688    -14.03294575
  O     14.28411206      6.51047159    -16.88352467
  H     16.44431198      9.00262228    -15.24858986
  H     16.60793382      6.23005111    -10.12182675
  O     13.60993637      6.84053628     -8.87835044
  H     14.06577475      9.98005418     -9.54022998
  H     16.68912411      7.25985686     -8.97711078
  O     17.14318902      6.61285709    -16.76553109
  H     14.09615740      8.69695992     -8.68934878
  H     11.64101473      7.35895418    -12.94725437
  O     12.93446461      5.18471491    -14.96184831
  H     12.89321405      7.32788465    -10.51318151
  H     11.75163264      6.49776149    -14.22872783
  O     18.57360791      6.22483684    -14.24087687
  H     12.93152124      8.61252063    -11.38193671
  H     18.88948261      9.03563251    -12.92903834
  O     15.34865215     10.95015326    -16.84267840
  H     15.60371346      9.89823678    -13.10425404
  H     20.14803765      9.41969104    -13.73600605
  O     15.00701455      8.69811422    -14.24752139
  H     16.68684633     10.09207505    -12.03017588
  H     17.64809342      6.11314675    -12.68075841
  O     12.19657417     11.69330921    -13.43237990
  H     14.03060826      7.39956410    -17.15920854
  H     16.16025063      6.22114995    -12.26718450
  O     16.26876639      6.43224769     -9.23941147
  H     15.24839231      6.49138274    -16.85555964
  H     17.54873256      9.50053554     -7.94591667
  O     11.32505100      7.28024469    -13.85753998
  H     13.27728494      6.26687905     -8.19352322
  H     16.23097439      9.37041480     -8.74438316
  O     19.28884659      9.01246320    -13.81450314
  H     14.54695277      6.60820341     -9.00974575
  H     14.14464685      9.83604133    -17.37149133
  O     17.06522407      6.29052157    -11.92949488
  H     17.22709245      7.54995261    -16.51847611
  H     13.12521731      9.39435185    -18.44927713
  O     17.17553359      9.13221968     -8.74215163
  H     17.66327344      6.49048685    -17.55684919
  H     12.91338912     10.89929792    -11.87504983
  O     13.46514212      9.17060673    -17.58708835
  H     13.39275914      5.63505841    -15.69479731
  H     14.36756852     10.47148050    -11.59881228
  O     13.45865137     10.37634196    -11.27580519
  H     12.71330887      4.31021365    -15.26936487
  H     11.93577894      8.70829897    -14.68382368
  O     12.40250925      9.49045968    -15.01770042
  H     18.07960049      6.20119920    -15.06824902
  H     12.59818028      9.36805789    -15.95423778
          69
 Energy    -251.02141339497305     
  O     15.30446413     10.18497284    -15.87459051
  H     14.86784869     10.43265591    -15.04914947
  H     15.75944394     11.92295220    -10.61569350
  O     15.25471839     14.94487123    -14.09487307
  H     16.09350106      9.68896186    -15.62472452
  H     21.09835101     14.97629771    -13.10496619
  O     17.76149196      9.32754155    -12.27360686
  H     15.86821346     14.19890166    -14.17538114
  H     22.20656926     14.62867763    -14.11479814
  O     19.92171277     11.08793173    -12.60080504
  H     14.58940648     14.65635550    -13.45931187
  H     20.70079433     10.81996696    -15.45006451
  O     13.70638844     13.64199066    -12.14951506
  H     18.55907158      9.87099354    -12.23215248
  H     19.24299026     11.21302292    -15.84845111
  O     15.52799984     10.06967965    -10.99580323
  H     17.67536693      9.05318286    -13.19450916
  H     14.76162134     10.69671617    -12.56730275
  O     15.42107686     14.92665569    -16.95668373
  H     19.84557844     10.94235608    -13.55431276
  H     14.05060913     11.97523987    -13.06275238
  O     19.58488676     14.73019241    -16.17709008
  H     20.83974900     11.33599047    -12.43394359
  H     16.87663386     16.04847168    -16.86709294
  O     22.53215893     12.06504221    -12.44576931
  H     12.95924421     13.85089616    -11.59581474
  H     17.45133391     16.92748453    -15.73946823
  O     18.09884387     12.43131766    -16.45676508
  H     14.45443631     13.44715156    -11.55438870
  H     21.31794351     14.52955567    -16.13747574
  O     15.64181613     12.13518251    -17.75264844
  H     16.35960185      9.76896312    -11.40642867
  H     22.73488609     14.85668804    -16.66324849
  O     15.82204228     12.88646418    -10.63598936
  H     15.26307386      9.39078998    -10.38166880
  H     19.37414478     15.06360706    -14.36248526
  O     21.99213431     14.61822273    -13.17262780
  H     15.16283495     14.93705260    -16.02676894
  H     18.57326578     16.01087781    -13.44698805
  O     19.77233322     10.55630006    -15.37258632
  H     15.43146985     14.00077596    -17.22443761
  H     22.35451973     12.49162188    -15.62043457
  O     14.48778748     11.16960547    -13.36507702
  H     18.98890458     15.45247454    -16.42764296
  H     22.52269007     11.64674539    -14.34778767
  O     17.64839615     16.57860638    -16.61541758
  H     19.11258714     13.90597233    -16.35586747
  H     18.48378422      9.34882587    -15.22473278
  O     22.26645983     14.36184876    -15.99624948
  H     23.26973989     12.03130372    -11.84318090
  H     17.91499683      7.93023928    -15.44244023
  O     19.25386055     15.32684449    -13.43893068
  H     22.35631290     13.00672794    -12.62464829
  H     17.30879964     12.79719133    -13.28140964
  O     22.30510242     11.58721315    -15.28593475
  H     17.39383457     12.33767713    -17.10682690
  H     16.07467842     12.04272543    -13.87017237
  O     17.70488354      8.78602530    -15.07524738
  H     17.64839992     12.51339334    -15.59942516
  H     16.62591992     17.79112298    -13.39266208
  O     16.79490697     12.64741488    -14.08583119
  H     15.27443613     11.84363531    -18.58287621
  H     16.34115981     16.34821736    -13.87018434
  O     17.03037262     17.03056678    -13.80197569
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  H     18.69335961     14.00651872    -12.31333160
  O     18.32676968     13.23388973    -11.86050205
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  H     18.93324184     12.49551018    -12.01312137
          69
 Energy    -251.02083661378407     
  O     -1.83212738     12.03961635      8.60796309
  H     -2.77195407     12.25022864      8.56704392
  H     -0.69975433     10.85916067      2.16938969
  O     -4.52380893      8.08383258      4.83035760
  H     -1.77402409     11.07635404      8.65869890
  H     -0.06778452     12.32939134      5.88534155
  O     -2.37613968     14.74906578      5.08257498
  H     -4.57524916      8.54699566      5.67511392
  H     -1.06503833     12.55615945      7.08949842
  O     -4.13135306      9.87491605      7.07479596
  H     -5.15892206      8.51709638      4.24615927
  H     -4.92510435     13.56836781      6.69944454
  O     -6.19303140      9.64288276      3.12608055
  H     -3.26147589     14.49907434      5.37967316
  H     -5.17610994     13.34940781      5.18950603
  O     -0.22170871      9.06678114      6.19974206
  H     -1.74532139     14.16538849      5.52777343
  H      0.66682141     11.34646227      4.10096640
  O     -4.24982591     10.23625744      1.05861736
  H     -3.41363239      9.51105910      7.61091324
  H      2.05297955     11.38846363      4.78757146
  O     -4.35495295     13.01133157      1.48428536
  H     -3.69492277     10.32925996      6.33644023
  H     -1.96945623     14.68774346      1.96131590
  O     -1.75565929      9.19602882      8.41415506
  H     -5.94387304     10.51364653      3.47943458
  H     -2.04879345     14.07857135      3.37305564
  O     -1.94229735      8.66191007      4.07762536
  H     -7.14165003      9.64757265      3.02421703
  H     -2.52504256     16.41790827      4.53297060
  O     -1.69397520      9.42262014      1.39145186
  H     -0.76599078      8.77726820      5.45279821
  H     -2.32753842     17.94615776      4.66620699
  O     -0.25187313     11.56270183      2.65238714
  H      0.34494217      9.76325386      5.84925579
  H     -3.54929781     16.15981166      1.25979466
  O     -0.85347736     12.80599620      6.17737473
  H     -4.32443498     11.20066043      1.06019233
  H     -2.60827658     16.79849509      2.29008653
  O     -4.97548553     14.02711651      5.85288459
  H     -4.93208988      9.91270666      1.65724900
  H     -4.63918427     11.44773697      7.81068048
  O      1.12419701     11.25866687      4.95792245
  H     -4.79942009     13.85104076      1.31401785
  H     -5.33263178     12.31218996      8.88610642
  O     -1.88762209     13.85382057      2.44710824
  H     -3.45577659     13.22874367      1.77222407
  H     -6.14258565     16.04815824      0.92508043
  O     -2.77679863     17.27882094      4.15439549
  H     -1.47178970      8.52673555      9.03039382
  H     -5.50136945     15.79593863      2.31001838
  O     -2.61742168     16.32452103      1.44836060
  H     -1.16696825      9.13048260      7.63959961
  H     -4.60086107     16.69710089      4.11677426
  O     -4.71414334     12.35152205      8.15979589
  H     -1.84508496      8.78267117      3.12582333
  H     -5.40662363     15.52983970      4.72434375
  O     -5.42833386     15.59107831      1.36074061
  H     -2.83146078      8.32145981      4.25987145
  H     -2.41251355     10.37145022      4.60928209
  O     -5.41588534     16.18773351      4.01854892
  H     -1.40588313      8.96251204      0.60760095
  H     -2.12329202     11.71259590      5.36140059
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  H     -4.96802559     12.43889721      3.07452841
  O     -5.15821411     12.05082016      3.94027883
  H     -0.76943176     12.36708275      2.51378764
  H     -4.31215056     11.72465045      4.28915032
          69
 Energy    -251.01852752724244     
  O     -6.64036139     -3.71885620      5.09363485
  H     -6.02565742     -3.15784428      5.58030496
  H     -3.25046279      2.38272870      3.20363577
  O     -6.12710043     -4.58288683      2.58940388
  H     -7.45436426     -3.21076980      4.97612239
  H     -6.27896622     -0.95359993      2.89442983
  O     -5.08750837      1.53483827      0.73823722
  H     -6.27643568     -4.35647325      3.52610549
  H     -7.17698021      0.31342539      2.73844990
  O     -6.68923749      0.04692499      6.03388241
  H     -5.84361607     -5.49245488      2.56636668
  H     -4.13373777     -2.22015032      7.02782924
  O     -6.48587480      5.59915527      2.67265447
  H     -5.14157360      0.72277221      0.22377243
  H     -4.28476553     -1.63334490      5.60276187
  O    -10.12819571      0.72197160      1.42321661
  H     -5.99901933      1.70723756      1.02754563
  H     -1.72677206      4.52685114      3.28294750
  O     -8.86456615     -2.12973352      4.33382292
  H     -6.05125653     -0.60880897      6.34113908
  H     -3.20159119      4.52608095      3.75610821
  O     -3.56170101     -1.04934709      4.15404611
  H     -6.74326674     -0.06903719      5.06998413
  H     -9.90379569      1.05802345      4.78859880
  O     -4.63745852      4.31508349      1.12929410
  H     -5.87746246      5.14939204      2.05927138
  H     -9.40323881      2.33281259      4.06934740
  O     -8.68901904     -3.49086391      1.85405689
  H     -6.72236932      6.42769653      2.26436989
  H     -5.22332792     -1.77003123      1.12640156
  O     -5.78346430     -0.96777563     -0.44580674
  H    -10.97933481      0.93287775      1.04838611
  H     -5.39186033     -2.96121557      2.12567512
  O     -3.81629905      1.60172872      3.24363972
  H    -10.17299373      0.96607879      2.36515086
  H     -9.02493446     -0.64432668      0.59113738
  O     -6.93636760     -0.40163697      3.33734133
  H     -8.25180321     -1.53386725      3.87402554
  H     -8.51091297     -2.08935552      0.74011985
  O     -4.77984105     -1.94893646      6.38189906
  H     -9.28467028     -1.58875206      5.00975544
  H     -9.76003122     -0.02674363      7.14226144
  O     -2.57919649      4.13451662      3.11702158
  H     -3.53310570     -0.11265195      3.92056415
  H     -8.46516870     -0.00294641      6.29739888
  O    -10.03088165      1.60149059      4.00242018
  H     -3.94962392     -1.48996086      3.38543478
  H     -5.23336740      5.38298858      4.14451565
  O     -5.07005519     -2.05438133      2.03605769
  H     -4.75190932      3.40699826      0.82190172
  H     -4.92678268      4.21755057      5.10160506
  O     -8.37540129     -1.26555588      0.24759707
  H     -3.83869023      4.30892807      1.67161871
  H     -5.03301396      2.13242319      4.50872062
  O     -9.43364365     -0.07211662      6.24721295
  H     -7.86884979     -3.97253335      2.01297671
  H     -5.95606877      1.70974832      5.67878721
  O     -4.56112985      5.03966281      4.74608835
  H     -8.94978807     -3.13396013      2.71333083
  H     -8.47147002      1.52608485      1.42816435
  O     -5.63566594      2.47445062      5.18564479
  H     -5.67864766     -1.27761901     -1.34118694
  H     -7.70988046      2.45195852      2.42022976
  O     -7.59322249      1.82557577      1.69297277
  H     -6.73390730     -1.03697930     -0.23644686
  H     -7.55292442      4.30438553      3.49323832
  O     -7.87800696      3.48462073      3.88780298
  H     -4.22297739      1.50690125      2.37090879
  H     -7.14326694      3.13007718      4.40993690
          69
 Energy    -251.01534017213473     
  O     11.98693587     10.22757414    -15.42805442
  H     12.44849244     10.62593555    -14.67714688
  H     15.50827671      7.34462013    -10.61117150
  O     13.66816680      6.33121870    -16.84902562
  H     12.67560897      9.87450567    -16.00410673
  H     14.57008732      8.12122554    -14.00986388
  O     14.04032115      6.53554378    -11.22189639
  H     13.77258550      7.26524570    -17.06263374
  H     13.55795258      9.04584873    -13.29859590
  O     18.34698511      6.04565901    -10.74191482
  H     12.93595264      6.29790965    -16.21800062
  H     14.61430632      9.61754639    -17.69375253
  O     10.03034602      8.65654857    -14.39268569
  H     13.15816054      6.27343539    -10.93620063
  H     14.91291267      8.96994531    -16.32464364
  O     15.08045033     10.34126710     -9.95593516
  H     13.92070910      7.14419657    -11.96906503
  H     10.88496822      5.20599874    -10.28248564
  O     19.57076527      7.27693315    -13.06434178
  H     18.88698538      6.49261644    -11.40404432
  H     11.54767882      5.16298059    -11.68004974
  O     11.86420676      6.55674855    -14.70826159
  H     17.67021019      6.68324833    -10.47535051
  H     10.49819930      8.49386935    -12.54585594
  O     17.49989257      3.75966480    -11.93990498
  H      9.18181729      8.90076665    -14.75181660
  H     10.92597478      7.51717723    -11.41735522
  O     18.40013569      5.16059397    -14.27607849
  H     10.68876713      9.24741630    -14.80155249
  H     15.77128172      4.11500938    -12.54591625
  O     15.82800276      5.58237328    -15.30908738
  H     14.12235309     10.32671289    -10.07275128
  H     14.67783798      5.17453740    -12.26765644
  O     16.27623827      7.90451015    -10.42711240
  H     15.42779958     10.84126095    -10.70377705
  H     11.94849667      4.98425314    -13.75968240
  O     13.79940798      8.12097871    -13.42906705
  H     20.49527862      7.31539807    -13.29272706
  H     13.05538544      4.14140592    -13.09329544
  O     14.20014507      9.18958917    -16.94775472
  H     19.18730052      6.53479049    -13.56691285
  H     11.69177729     10.98758417    -10.03778125
  O     11.35277688      5.73943728    -10.91912826
  H     11.08463086      7.12359878    -14.70950959
  H     11.74329907      9.71562930    -10.91312396
  O     10.81815726      8.45041910    -11.63687926
  H     12.55052655      7.07488229    -14.26142730
  H     16.08231889      7.34671921    -15.18726735
  O     14.94861972      4.48452328    -12.89008826
  H     17.84775241      2.99400046    -11.49093040
  H     16.57819184      8.55931756    -14.32902573
  O     12.10346740      4.30122456    -13.09074776
  H     17.78743465      4.53934055    -11.43159591
  H     14.32048862     11.14533462    -12.96410833
  O     12.27134013     10.46712393    -10.58819362
  H     18.16733358      4.55607663    -13.56033624
  H     12.96906864     10.88046512    -12.24238223
  O     16.03474045      8.31032937    -15.08694316
  H     17.59325113      5.26923289    -14.79686040
  H     16.69587548     12.12975604    -12.58301195
  O     13.39935619     10.89439227    -13.10813785
  H     15.10289356      5.69943356    -15.94015597
  H     16.63295998     10.58652222    -12.60868071
  O     16.10550373     11.38958673    -12.46503464
  H     15.45819753      5.17813706    -14.51139469
  H     18.22784832      8.50107843    -12.87846319
  O     17.39282218      8.96719886    -12.74220080
  H     15.92265090      8.74254962    -10.09697937
  H     16.97678753      8.56740282    -11.96352596
          69
 Ord_Energy   -251.011063    
 O   -4.08473206       5.52273417       3.06528902    
 H   -3.23686242       5.44214773       2.61207795    
 H   -4.32279587       4.62214613       3.32314610    
 O   -3.98901439       6.28765106       9.65596962    
 H   -4.19143486       7.01648712       10.2353954    
 H   -3.07567835       6.42281628       9.33771706    
 O   -1.83267176       7.65606117       6.11065865    
 H   -2.71485114       7.68699884       5.72425222    
 H   -1.33134556       7.04050350       5.55791616    
 O   -4.91586590       1.04920840       6.02747297    
 H   -5.43520021      0.308966041       6.36339426    
 H   -4.00049973      0.894283235       6.30080843    
 O   -4.48895884       7.41274929       4.96890402    
 H   -4.35118484       6.75986528       4.25890255    
 H   -4.96887779       8.13949776       4.58069849    
 O   -1.55208814       6.60599470       8.64756775    
 H  -0.832063377       5.96844530       8.61268044    
 H   -1.60250854       7.03081846       7.77754593    
 O   -4.18285561       2.91453767       4.11453342    
 H   -4.61319256       2.18967414       4.58294821    
 H   -3.64446878       3.36235857       4.78746700    
 O  -0.770724714       5.49223089       4.68689537    
 H   -1.50288928       5.04819250       5.14427328    
 H  -0.927978218       5.38870859       3.74100924    
 O   -1.74207616       2.36868811       2.86861134    
 H   -2.65207267       2.42394829       3.19336820    
 H   -1.23578429       1.95483899       3.57676840    
 O   -4.14380980       3.49525976       9.85867691    
 H   -4.75290298       3.32319260       9.12291145    
 H   -4.10029507       4.45455647       9.95600891    
 O   -2.78262305       4.19851923       6.11441708    
 H   -2.39926291       3.73543549       6.86854124    
 H   -3.48758984       4.76092052       6.46072388    
 O   0.404627204       4.49359417       8.58599567    
 H   0.615355730       4.19970560       7.68052530    
 H    1.22920656       4.52821636       9.06275654    
 O   -4.98206615       5.65560246       7.07314634    
 H   -4.91710615       6.35128450       6.40560579    
 H   -4.70602512       6.01786375       7.92489290    
 O   -4.62109613      0.972106397       10.8776979    
 H   -4.49079561      0.898808241       11.8202219    
 H   -4.39285374       1.88442874       10.6360302    
 O   -5.85157061       3.08999801       7.72093868    
 H   -5.71893644       3.98059130       7.37039661    
 H   -5.51636124       2.45933485       7.06862879    
 O   -2.31011128      0.580334663       7.01221657    
 H   -2.70632386      -5.75673394E-02   7.62356806    
 H   -2.09039688       1.36240327       7.54156160    
 O   -6.31328964     -0.951072514       7.44950533    
 H   -6.66364050     -0.308881670       8.09263897    
 H   -7.00122976      -1.59216785       7.29460001    
 O  -0.404030889       1.16741395       5.11079311    
 H   0.156218484      0.407451302       4.96734285    
 H   -1.08478189      0.887643278       5.74459124    
 O   -6.98085260      0.992440403       9.23058891    
 H   -6.78907776       1.80318081       8.73885059    
 H   -6.30147505      0.937914550       9.91408920    
 O   -3.77721930     -0.885119081       8.80958557    
 H   -4.61571217      -1.07383657       8.37005234    
 H   -3.99681282     -0.313945711       9.55569077    
 O   -1.48168516       4.92442751       2.02702999    
 H   -1.07883513       4.99097347       1.16607440    
 H   -1.51661694       3.97595739       2.25049329    
 O   0.776477814       3.63420916       6.05842590    
 H   0.428829283       2.79308987       5.74140978    
 H   0.381473303       4.31908274       5.49981689    
 O   -1.84846473       2.87555718       8.41038704    
 H   -2.56011772       3.11847830       9.01640797    
 H   -1.06476307       3.39832830       8.62146854    
          69
 Energy    -251.01025301126612     
  O     12.65726725     10.01227903    -11.40224207
  H     12.99802508      9.59147707    -12.20260505
  H     14.35161190     14.92089301     -8.75294542
  O     11.43259683     12.18240982    -12.68911719
  H     12.16186691     10.78248317    -11.70494155
  H     11.17589650     12.94256432     -9.64659812
  O     14.23198759     10.67669012     -9.27470369
  H     11.04804775     12.62157873    -11.91849463
  H      9.75149852     12.61306775    -10.16119410
  O     13.82806954      6.50408678    -10.41480466
  H     12.30476809     12.57351297    -12.84337301
  H     10.93554363      7.66732457     -6.81195483
  O     13.88868127     15.88014346    -12.17768480
  H     13.70718486     10.42552823    -10.05111283
  H     11.00980415      9.03223951     -7.53534594
  O      9.26757699      9.20354422    -11.62090418
  H     14.35273107      9.86777956     -8.75979775
  H     11.06795094     11.31449892     -7.80001946
  O     13.97919117     13.19167895    -12.92683151
  H     12.92232652      6.85185378    -10.45201823
  H      9.73096387     10.79901152     -8.38256142
  O     15.50447620     14.80092190    -10.05218357
  H     13.75638811      5.55280174    -10.44668524
  H     14.22304975      7.56549321     -8.81153816
  O     11.37698304      7.81190148    -10.32556039
  H     13.87210926     16.73434587    -12.60001121
  H     13.26102529      8.15845780     -7.77122322
  O     11.90711147     15.65634146    -10.33579981
  H     13.12823934     15.85000906    -11.56928829
  H     15.30847496     11.66673977    -10.31461770
  O     15.23616325      7.95926292    -12.43171466
  H      9.61863061      9.39360268    -12.49882913
  H     16.23221838     11.52378760    -11.54892135
  O     13.61328431     14.99743045     -8.12166502
  H      9.87040512      8.56514329    -11.21886886
  H     13.69432857      9.71622576    -14.30541119
  O     10.50973573     13.19279027    -10.30507693
  H     13.96547628     14.14866579    -12.80329989
  H     12.22938799      9.20530513    -14.14123529
  O     11.35902516      8.12242606     -7.53457205
  H     14.55838003     12.82947136    -12.24061435
  H     10.76920230     10.87410779    -13.68076583
  O     10.39765235     10.62392385     -7.70821919
  H     15.11207925     15.24494945    -10.81377275
  H     10.00287354     10.29554522    -14.89305253
  O     14.17378104      8.19828581     -8.08514469
  H     15.74023327     13.91202525    -10.35048122
  H      7.64993903     11.20011456     -9.79236272
  O     15.75372060     12.16855537    -11.01302401
  H     11.79063266      8.63264788    -10.63829934
  H      8.80878616     10.47457163    -10.51387204
  O     13.15047742      8.98731829    -13.96272961
  H     11.29428715      7.88147618     -9.36454522
  H     15.61734939     10.79512116    -14.04557924
  O     10.47446953     10.04715192    -14.10163639
  H     12.38843491     15.54165997     -9.50642982
  H     14.53891077     11.88461770    -14.16040618
  O      8.59982150     11.17833370     -9.87472755
  H     11.28447291     14.91984344    -10.38435584
  H     17.71628281      9.87747337    -12.84163551
  O     14.84195900     11.05755256    -14.55734037
  H     14.84548220      7.44553627    -11.71617755
  H     16.30374995      9.34131353    -12.51649977
  O     16.82127583     10.15348040    -12.66215174
  H     14.52763374      8.11172880    -13.07281030
  H     13.07038937     11.87872494     -8.62205381
  O     12.37328362     12.49916731     -8.36427093
  H     13.93273988     15.50879493     -7.38341009
  H     12.79931320     13.33923128     -8.15534105
          69
 Energy    -251.00997548523998     
  O     15.33775480     13.63698668     -9.27509801
  H     15.55548924     12.94104930     -8.63750119
  H     15.82046486     10.39520330    -13.86613662
  O     18.87928011      7.05480327     -5.92751733
  H     14.69145633     13.23961935     -9.87095605
  H     19.08494459      8.22833099    -11.75618668
  O     16.49688562      5.78760937     -6.21360929
  H     18.99689722      7.41223097     -6.81966202
  H     20.01889034      9.29686158    -11.13413550
  O     12.38438421      9.78050672     -9.63815353
  H     18.71352793      7.82011220     -5.36372212
  H     16.91059519     13.93399449     -9.97034572
  O     18.11216787     11.88812377    -12.18297515
  H     16.50028291      4.88853375     -5.89800275
  H     17.99509127     14.93913569    -10.41509157
  O     19.73880915     12.29438156     -9.03313017
  H     17.39428426      6.14080684     -6.07288668
  H     17.92563664      9.67188367     -3.66718331
  O     17.84655425      7.83692149    -13.14258438
  H     12.62309296      9.28404274    -10.44213339
  H     17.02754424      9.08783014     -4.78148045
  O     16.04489951      7.22919719     -8.58510329
  H     11.44508683      9.66943769     -9.51538766
  H     14.07100358      8.19328573    -11.73605736
  O     16.14208744     11.30425856     -7.98337240
  H     17.97904712     12.69416570    -11.66675102
  H     13.38205545      9.24990092    -12.61649342
  O     13.89306522     11.82048500    -10.93548327
  H     19.01305055     11.59135513    -11.99639983
  H     16.14036842      9.56159914    -10.85388445
  O     14.35321946      9.24655264     -7.64724447
  H     19.04814153     12.90402100     -9.31778427
  H     16.97046935     10.85757480    -11.14712855
  O     16.75809623     10.18791058    -13.95306661
  H     19.40519638     11.81631117     -8.26271850
  H     18.49684440     10.35893776     -6.11236618
  O     19.61283157      8.43545059    -10.97663851
  H     18.05344609      7.28174136    -13.88958177
  H     18.70076132      9.84362090     -7.55693722
  O     17.80259118     14.00711569    -10.35122702
  H     17.46416726      8.65879892    -13.49941539
  H     17.74797046      7.96088624     -8.52081274
  O     17.92097369      9.42341443     -4.58764147
  H     16.14448770      6.59816338     -7.86200556
  H     19.04531902      8.29413636     -9.31485598
  O     13.21038747      8.59229907    -11.93314605
  H     15.43002047      7.91127784     -8.27734689
  H     15.93743010      7.42221443    -10.38551774
  O     16.28192963     10.47828186    -10.58773134
  H     16.25887466     10.99836176     -8.89768007
  H     16.51481335      7.61515713    -11.84432239
  O     18.64812200     10.65045887     -7.01933041
  H     16.98838428     11.16118728     -7.54176051
  H     21.53345053     11.30205564    -11.43788222
  O     18.65197832      8.28773400     -8.43049735
  H     14.75318687     11.38306249    -10.82247069
  H     20.38516778     11.48231174    -10.41423040
  O     15.76986416      7.80021034    -11.26021778
  H     13.26355905     11.28165306    -10.44029594
  H     14.97674750      8.65501641     -5.95794090
  O     20.62643544     11.06705053    -11.26309009
  H     13.62265674      9.40444816     -8.25583704
  H     15.71787867      7.39549643     -5.47080410
  O     15.51232386      8.30819642     -5.23312178
  H     14.92417610     10.02946564     -7.68309002
  H     13.47037399     11.38164942    -14.16561872
  O     13.98190190     10.87356845    -13.54017132
  H     17.23624531     10.88645380    -13.48504552
  H     13.90297053     11.32643286    -12.68455177
          69
 Energy    -251.00990258553770     
  O     -3.83402160     -1.32898772      2.71874246
  H     -3.88002993     -0.57893425      3.32687493
  H     -5.32933465     -3.20561705      0.11789511
  O     -1.13967254      3.51836412      3.80237184
  H     -2.92491696     -1.37819920      2.39124160
  H     -3.81603184      1.79720390      0.35745690
  O     -1.32421611     -1.23484938      1.59493294
  H     -2.04249658      3.58812961      3.45230096
  H     -3.65654893      3.00450853     -0.59986932
  O     -4.01800065      0.95630074     -2.98445830
  H     -0.92487577      4.37137952      4.17262881
  H     -6.58785082      3.69474159      1.45283233
  O     -1.49561249     -0.28433278     -2.41655035
  H     -1.22871542     -0.43166910      1.06282919
  H     -7.04555606      4.64546165      2.58808498
  O     -4.83492126      0.44230791      0.83424255
  H     -0.69128843     -1.15326119      2.31896358
  H      0.02808295      2.47925144      2.69077766
  O     -6.57982601      1.19142534      3.02715048
  H     -4.64298986      0.31596872     -2.61586295
  H      0.13812215      1.64643456      1.38753508
  O     -7.94077798      0.60765189     -0.49761323
  H     -3.14044145      0.58022701     -2.85095984
  H     -4.59899970      3.76055508      2.71332316
  O     -4.04744998      1.04020390      4.19427903
  H     -1.78990139     -1.06709386     -1.91523318
  H     -3.46793440      3.21650290      1.81296727
  O     -4.70309881      3.39195653     -2.07308607
  H     -0.90503900     -0.60048835     -3.09531303
  H     -6.72346818     -2.18291733      1.75956722
  O     -5.68515519     -0.73695193     -1.53582989
  H     -5.55853867      0.80329619      1.35859311
  H     -5.24198371     -2.37797449      2.16366227
  O     -4.93105924     -3.34906920     -0.75964899
  H     -4.42911675     -0.24146209      1.38330112
  H     -0.86799942      0.39950767      4.78041256
  O     -3.26888404      2.57856740      0.17381923
  H     -5.80464125      1.05101660      3.58847433
  H     -1.28225680      1.87858916      4.84144440
  O     -6.44879160      3.92918662      2.39068620
  H     -6.66228298      2.14428430      2.89568796
  H      0.59016278      0.33910285      3.16063046
  O      0.56629732      1.81893329      2.23732023
  H     -8.11805888      0.07270512      0.28447025
  H      1.29246278     -0.79194462      3.95272093
  O     -3.68370605      3.45615333      2.72751909
  H     -7.30992359      0.09599303     -1.02143285
  H     -8.87465179     -1.02540958      2.50690525
  O     -5.96948017     -2.77625957      1.66464249
  H     -3.22721794      0.93859451      4.69945518
  H     -7.61860389     -0.12744035      2.45352684
  O     -1.49897808      1.00410074      5.18884587
  H     -3.92451409      1.84076589      3.66661876
  H     -1.94397185     -2.17744937      0.04225644
  O      0.43941117     -0.48807301      3.65458623
  H     -4.68826448      4.03357716     -2.77746882
  H     -3.14447895     -2.72851115     -0.78160376
  O     -8.08584441     -0.84910751      1.99934471
  H     -4.47533638      2.53153011     -2.47181572
  H     -1.72950237      1.67088415      0.05736621
  O     -2.26161706     -2.34674553     -0.85336579
  H     -5.37928647     -0.31531947     -0.71706827
  H     -1.01582720      0.66696610     -0.87400772
  O     -0.97531388      1.06660294      0.00349084
  H     -5.49684446     -1.67656214     -1.43139426
  H     -7.27411450      2.28283878     -0.29585770
  O     -6.80575747      3.11371500     -0.12760298
  H     -5.18217924     -4.22652555     -1.03506974
  H     -6.16356288      3.22449517     -0.83694034
          69
 Energy    -251.00956264509082     
  O     11.59987397      3.33874377    -11.41713452
  H     11.53718765      3.88061328    -10.62228038
  H     18.05685825      6.12105759    -17.06273335
  O     17.90693622      4.61934429    -11.02730404
  H     11.28070735      3.87842882    -12.14877804
  H     17.52896663      5.78997238    -14.55352112
  O     14.83073921      8.53230794    -11.57482867
  H     17.75841028      4.76554873    -11.97007386
  H     17.34788822      6.48909605    -13.18500268
  O     14.91588837      9.64743319    -15.92500291
  H     17.29347384      3.93252037    -10.74100934
  H     14.27874777      5.34740846    -12.16434077
  O     18.29720716      7.02748240     -9.88166331
  H     14.58418480      8.90336637    -10.71963841
  H     14.15430055      5.48824944    -10.61576650
  O     14.43790858      4.70271677     -8.96701570
  H     14.63022717      7.58339887    -11.51841668
  H     14.42400274      2.95061186    -12.64962886
  O     16.04839139      2.68748588    -10.05359145
  H     14.94903488     10.46605489    -16.41241840
  H     13.24644288      2.59650378    -11.71809151
  O     13.28939864      8.62325877    -13.88173748
  H     15.81141980      9.49265243    -15.57318009
  H     13.16565880      8.55595808     -9.02256887
  O     14.98462758      6.93963262    -16.87916186
  H     19.14070982      7.04704169     -9.43718626
  H     13.80976433      9.81810692     -8.40359006
  O     11.72198243      4.79182323     -8.88315025
  H     18.18976754      6.12619358    -10.23907263
  H     11.65465173      6.67866630     -9.06196073
  O     17.38269644      8.99437698    -15.00775655
  H     14.97734905      5.45067903     -8.66514356
  H     11.50210082      7.63706348    -10.24933451
  O     17.58808950      6.42843137    -16.29179314
  H     15.02551452      3.98259611     -9.22587192
  H     17.86334826      7.86398065    -11.50559026
  O     17.33554564      5.62580758    -13.62205036
  H     15.37392294      2.50199169    -10.73391013
  H     16.52838201      8.36581600    -12.08918804
  O     14.00090840      5.93903646    -11.45389382
  H     16.34110304      1.84470127     -9.71816175
  H     16.67389101      7.07435951     -8.87375293
  O     14.16477282      2.36950559    -11.92143537
  H     13.75091361      9.06956338    -14.60235319
  H     15.30540613      7.72575126     -8.53170506
  O     13.99446733      9.06351403     -8.95616572
  H     13.86405664      8.69634555    -13.10521329
  H     12.40098640      6.71976164    -11.80300539
  O     11.72119854      7.60960702     -9.30890109
  H     14.26732961      6.50846320    -16.39749741
  H     11.98419270      7.89056441    -12.71735683
  O     17.43519752      8.12467783    -12.33008399
  H     14.88909452      7.88343248    -16.69928954
  H     15.73052889      4.82015346    -13.69302185
  O     15.85150253      6.94408413     -8.38638732
  H     12.68966588      4.70049555     -8.82841477
  H     14.26966093      4.93343100    -14.23867160
  O     11.63335925      7.24046921    -12.09504610
  H     11.35995259      4.30063736     -8.14929678
  H     10.90054315      5.90847876    -13.02533381
  O     14.84403138      4.43708635    -13.64156755
  H     17.51344488      8.81093974    -14.06798824
  H      9.81867842      5.13145714    -13.81256650
  O     10.74356638      5.12289442    -13.57670751
  H     17.61135270      8.18041113    -15.47331701
  H     12.22748421      5.64633547    -14.70286504
  O     13.04131457      6.04222050    -15.03587245
  H     16.65589968      6.53685464    -16.55313027
  H     13.11700811      6.91475019    -14.62244668
          69
 Energy    -251.00826457946258     
  O     19.65465344      9.81564280     -7.81062141
  H     20.13616159      9.21728443     -8.40719579
  H     19.29867925      6.78372162     -6.85480752
  O     17.09845053      5.45309822     -9.82406305
  H     20.29928273     10.41087669     -7.43608299
  H     18.18480850     10.19404396     -8.90265327
  O     17.60642810      5.25242799    -13.30796944
  H     16.40470698      5.26406537    -10.46763503
  H     16.68926583      9.90859296     -9.27995026
  O     17.84633504      8.00097188    -13.60942089
  H     17.53513219      6.26022074    -10.13836363
  H     16.58024064     10.49887639    -12.97474295
  O     21.35650627      7.47422885    -12.19182168
  H     17.64621315      6.18413399    -13.56778081
  H     15.42478013     10.57195395    -14.00554736
  O     15.15789324      5.36340192    -11.80161637
  H     16.74908200      5.13379476    -12.88326088
  H     20.56305470      4.22259204    -13.03764749
  O     20.15057947      9.57877210    -13.40330807
  H     18.65255904      8.52634396    -13.69907656
  H     19.24019614      4.96664393    -12.76093534
  O     20.67819686      5.74163954     -7.70441570
  H     17.10551110      8.61671484    -13.66665019
  H     12.22761092      6.49956494    -10.72837387
  O     13.47052766      5.97444448     -7.83090195
  H     20.98756548      6.59064870    -12.31835898
  H     12.95372018      7.74197161    -11.26525928
  O     20.69346746      7.89442198     -9.48733876
  H     21.36077536      7.62799087    -11.23835747
  H     14.29010916      8.97811734     -8.68469034
  O     18.23741341      7.77587849    -10.78105523
  H     15.05412092      6.32675542    -11.81449242
  H     15.57549243      8.15249984     -8.42297762
  O     18.62297028      7.40445157     -6.55433795
  H     14.37646196      5.02037135    -11.35024142
  H     15.06538608      8.80572632    -12.20108942
  O     17.53947001     10.22288991     -9.62028738
  H     20.63391843      8.85235846    -12.97088766
  H     14.98644034      8.40149631    -10.69668007
  O     15.85601191      9.99167172    -13.38439527
  H     20.75075265      9.96377360    -14.03668364
  H     16.95903418      6.93303517     -7.07106298
  O     20.16684481      4.88267575    -12.47364722
  H     20.31636030      5.15604893     -8.39497734
  H     16.46960699      6.14510699     -8.31064657
  O     12.12840785      7.45175578    -10.85199496
  H     21.31060470      5.22684015     -7.21107868
  H     11.70530045      9.10903381     -8.11426992
  O     15.22401589      8.90854690     -8.91711063
  H     14.39397302      6.12786645     -7.58816995
  H     12.23739010      8.25654087     -9.29215801
  O     14.75409551      8.12473032    -11.59354427
  H     13.06139855      6.84715347     -7.86298275
  H     17.89709660     10.94528549    -11.26992630
  O     16.16578550      6.68309855     -7.56419388
  H     19.86174679      7.76479598     -9.97124597
  H     18.80799770     10.69495181    -12.50562182
  O     12.46627464      8.62296096     -8.41906253
  H     20.79382437      7.14381864     -8.88630059
  H     18.68244547      4.55326436     -9.71022047
  O     18.00285768     11.13797419    -12.21267129
  H     18.10546933      7.80121539    -11.73593236
  H     19.90326314      4.45719683    -10.64049506
  O     19.62401754      4.32876810     -9.72645091
  H     17.93606180      8.62186082    -10.42417540
  H     12.39594048      3.97037076    -10.04801472
  O     12.90491378      4.76154796    -10.20297517
  H     18.92150930      8.27433655     -6.84189461
  H     13.12965493      5.12435498     -9.32721420
          69
 Energy    -251.00645502732709     
  O     13.90784661     11.06202310    -11.22982880
  H     14.24217173     10.66369117    -10.41715249
  H     16.82280058      9.78618476    -16.07632384
  O     15.70954146      7.22884221    -15.39046558
  H     14.68241179     11.13255198    -11.80496005
  H     17.25891781      4.34769257    -13.90520115
  O     14.47587627      4.88585282    -11.74051836
  H     14.88326787      7.73512617    -15.38045871
  H     18.55333177      3.50812083    -14.00433454
  O     18.67955734      6.62038269    -10.02787910
  H     16.38258318      7.77626142    -15.81435407
  H     18.08441056      8.42441516     -9.89811212
  O     15.45303861     10.68622411    -15.51099589
  H     13.55704159      4.62754150    -11.87995400
  H     18.19057958      9.84285053    -10.52254991
  O     10.92531313      6.86807822    -13.12813076
  H     14.46140914      5.77781464    -11.36008209
  H     16.13844384      7.73595693    -13.70635613
  O     13.41013460      8.72813143    -15.14146438
  H     18.06582324      5.89342302    -10.23642978
  H     17.35370395      7.66071572    -12.75987112
  O     14.62166016      7.46218000    -10.88167488
  H     19.24870088      6.30330050     -9.33083001
  H     13.78222803      4.39696729    -14.99101990
  O     19.39678177      9.28798415    -14.09614970
  H     15.67640338     10.89297305    -14.59229600
  H     12.44630612      4.28020379    -14.23669321
  O     11.59518944      6.73801108    -15.92544582
  H     14.64413631     10.15993812    -15.47901994
  H     16.19254623      4.56203706    -11.04246851
  O     19.03205713      6.83753189    -12.80203923
  H     11.42674299      7.63216402    -12.81262462
  H     17.54852233      4.29592719    -11.71530331
  O     17.53779763      9.16388540    -16.30552985
  H     10.98881789      6.89142242    -14.09054087
  H     15.19181844      4.82320666    -13.42886261
  O     18.16003221      4.25005337    -13.55240551
  H     12.74457068      8.14003703    -15.52014020
  H     15.61527934      5.57558615    -14.74227397
  O     17.75539179      9.32885794     -9.83192027
  H     13.18927471      8.82931335    -14.20394308
  H     11.44261824      5.28869015    -12.60836539
  O     16.45239025      7.99578589    -12.83081254
  H     14.72266166      8.09427280    -10.16024901
  H     11.09253335      3.89173072    -12.04174217
  O     12.82647408      4.44611102    -15.10902640
  H     15.32689018      7.65448624    -11.52089339
  H     19.57562699     11.55974589    -11.88281341
  O     17.14390947      4.54629414    -10.87598629
  H     18.80149335      9.25970267    -14.85433880
  H     19.12713425     10.35136798    -12.73713840
  O     15.57426072      4.70749769    -14.31216817
  H     19.41514207      8.39243323    -13.73098264
  H     12.96468961      9.74596158    -12.08068787
  O     11.79725168      4.39723652    -12.43737763
  H     12.05562804      5.90551431    -15.71755559
  H     13.32589637      8.26947162    -11.92247335
  O     18.90235123     10.88879115    -11.95657705
  H     11.04563766      6.56665587    -16.68541901
  H     16.10211190      9.53224639     -9.32790787
  O     12.76729845      8.86805856    -12.43600539
  H     19.08646055      6.77356830    -11.83919749
  H     15.11228938      9.70576282     -8.15210042
  O     15.15700339      9.55215259     -9.09184190
  H     18.82145208      5.95439656    -13.13150564
  H     16.25089349      9.82703686    -12.80342114
  O     16.21910639     10.79494575    -12.82367028
  H     17.82962597      9.39240344    -17.18428265
  H     17.09023652     11.07577129    -12.52209987
          69
 Energy    -251.00582579684956     
  O     15.43911903     10.26441067     -8.85521646
  H     15.55791255     10.54669745     -7.95202555
  H     14.24564898      8.01129991    -13.82643155
  O     12.82342011      6.38081941    -11.34062267
  H     16.32676839     10.07107648     -9.21003255
  H     14.99288441      5.37081596    -16.18993220
  O     17.51344579     10.21031665    -12.64854342
  H     13.43359047      6.78859925    -10.71160892
  H     14.27050362      6.19896780    -15.07792974
  O     17.51008113      8.97092825    -15.11199881
  H     13.32142942      5.68704912    -11.78919206
  H     17.91352088      5.90986176    -15.45166129
  O     16.26723232     12.71964589    -12.77657487
  H     17.67329747      9.85615478    -13.53454193
  H     16.47813014      5.92596935    -14.87951497
  O     14.82014762      7.69426641     -9.85610676
  H     17.17931630     11.11217580    -12.74454984
  H     15.09292193      8.29628341    -11.59903351
  O     14.95600107      9.53138840    -16.18890480
  H     17.47700095      8.02837765    -14.89255393
  H     15.98186315      9.20318559    -12.50855726
  O     14.35325700     11.70159730    -14.65918256
  H     16.64071421      9.20886418    -15.46273196
  H     14.17148317      3.46873160    -12.71238231
  O     15.76909943      5.66799749    -17.77550860
  H     15.64824013     12.56291879    -12.04003614
  H     14.48503629      4.64846773    -13.65793634
  O     11.37357342      8.07559586    -12.88662644
  H     16.58140224     13.61531274    -12.68806982
  H     13.76620120      9.89544055    -12.47124230
  O     16.97917743      5.42187332    -12.03660100
  H     14.86657423      8.56246130     -9.43503855
  H     12.24206735      9.79411470    -12.59824702
  O     13.63467033      7.75261031    -14.53604969
  H     15.67817448      7.27330463     -9.71028708
  H     17.34405458      6.22783088    -10.57946011
  O     14.74709852      5.37311017    -15.25340747
  H     14.76592117     10.38539986    -15.77257483
  H     17.93693885      6.12421276     -9.15451878
  O     17.38721784      6.20220014    -14.69665874
  H     14.41517266      8.87953332    -15.72216071
  H     18.64190073      6.57471880    -17.42562267
  O     15.15400939      8.70906232    -12.46877532
  H     13.72046504     11.35964003    -14.01413169
  H     19.36648878      5.21168025    -17.54347226
  O     14.39319189      4.39702652    -12.72302642
  H     15.03705295     12.14035924    -14.13967869
  H     17.83974027      9.76858576    -10.89320222
  O     12.95859603     10.43145346    -12.51184164
  H     15.68121195      6.56577687    -18.11903556
  H     17.82251909      8.56395310     -9.91601246
  O     17.44895338      6.70229272     -9.73436020
  H     16.71774585      5.51949601    -17.67810096
  H     15.28437519      8.85851822    -19.31012595
  O     18.59393489      5.63350318    -17.17837131
  H     11.83520822      7.46034824    -12.28721967
  H     15.40326774      8.88545159    -17.76983876
  O     17.79409678      9.52791497     -9.95727045
  H     10.44990084      7.84268001    -12.86134668
  H     13.78953160     11.60397701    -11.31616446
  O     15.71638968      8.43469666    -18.57293342
  H     17.27484456      5.71341224    -12.90870852
  H     14.76806846     11.48984510    -10.12432196
  O     14.48892263     12.07291020    -10.84063030
  H     16.11260215      5.02096616    -12.17152598
  H     17.58707729      8.39956642    -18.15579481
  O     18.43615339      8.29174109    -17.70806455
  H     12.74955576      7.84629153    -14.16608679
  H     18.30724470      8.66889159    -16.82741754
          69
 Energy    -251.00573659888107     
  O     14.98131007     10.98467856    -16.06100258
  H     14.22852549     11.02340494    -15.46285488
  H     19.00216706      6.43543468    -12.51018676
  O     16.40699486      4.82364451    -13.77295463
  H     15.58170634     10.32692462    -15.67369943
  H     18.08516992     11.18970996    -17.40857151
  O     18.79047804     13.40328460    -11.17711421
  H     17.30204548      5.02775424    -13.47570296
  H     18.85069563     10.90249913    -18.72057031
  O     19.27494492      8.95861675    -15.83334893
  H     16.43674034      4.81164359    -14.73815974
  H     17.54366068      8.98912074    -15.18180865
  O     15.19750834      7.41745917    -16.70948776
  H     19.48677469     12.72811427    -11.08708832
  H     16.48859334      8.77912270    -14.03637277
  O     18.74756410      9.59769531     -9.39042516
  H     19.19249486     14.24514405    -10.98252372
  H     13.12749637      9.64582699    -14.19591778
  O     16.13872426      8.41732009    -12.27734564
  H     19.06565667      9.39085417    -16.67055459
  H     12.15987657     10.82035028    -13.92639454
  O     17.68023662     12.12161640    -13.43811180
  H     19.28649557      7.99812217    -15.96280393
  H     18.83585350      8.41569917    -10.80357442
  O     19.08945980      6.23842661    -15.84500238
  H     15.71642938      7.87465387    -16.02822411
  H     19.11276732      8.68870000    -12.30359289
  O     14.44041992      6.23159853    -12.61158719
  H     15.23528060      8.00878028    -17.47414590
  H     13.78672090      7.72147980    -15.42294259
  O     16.57077832      5.07758169    -16.58260478
  H     18.05164407     10.25270995     -9.58037825
  H     13.61079033      7.32664900    -13.94280109
  O     19.03953612      5.61493625    -13.02783059
  H     18.76266266      9.48212958     -8.44419808
  H     20.05959424     10.68827224    -10.35775209
  O     18.37346300     10.47959630    -18.01124866
  H     15.56533255      7.64082340    -12.28247354
  H     20.37507108     10.84869983    -11.85479499
  O     16.60216945      8.98622076    -14.97102794
  H     17.02118344      8.16091145    -11.98247320
  H     19.64497762      9.69588056    -14.24899676
  O     13.08470156     10.59680542    -13.98876464
  H     16.83048248     11.78543374    -13.12109544
  H     18.88495786     10.75340047    -13.40619737
  O     18.82272207      8.00572333    -11.67802319
  H     18.02721575     12.70101937    -12.74863721
  H     16.27299715     11.42579910    -10.69380965
  O     13.30788605      7.94767386    -14.61586462
  H     18.29037452      5.81725490    -16.18355132
  H     17.48825086     12.29014750    -10.30953053
  O     20.48375912     11.27670086    -10.99380015
  H     19.14314538      5.99624237    -14.91250363
  H     14.52677253     11.03030522    -12.80995449
  O     19.55492145     10.05636309    -13.35599279
  H     15.11219885      5.66716899    -13.03603740
  H     15.59919168     10.09894605    -12.21539722
  O     16.95114322     11.54322410    -10.01633507
  H     13.93695767      5.67155696    -12.02719472
  H     17.63126995     12.35130092    -15.31442745
  O     15.34173460     11.03096453    -12.29559614
  H     16.02863879      5.87740729    -16.69801189
  H     16.47788676     12.05802834    -16.27463339
  O     17.41094314     12.31440059    -16.25351587
  H     16.36865913      4.49916995    -17.31311293
  H     16.56011365      9.76303595    -18.41654689
  O     15.62148347      9.54166770    -18.41461144
  H     19.72648014      5.07886884    -12.63796765
  H     15.23043630     10.12989736    -17.75329559
          69
 Energy    -251.00533712890166     
  O     20.44637341      7.00799610    -12.22604264
  H     21.28183672      6.66738044    -11.91791431
  H     18.43409556     13.87591862    -16.17781790
  O     18.42038663     10.90522088    -12.05472438
  H     20.63752615      7.55592364    -13.00857115
  H     12.60394734      9.39817734    -13.85670926
  O     12.43219303      9.39742343    -12.04749292
  H     17.53307648     10.80136239    -12.43838217
  H     13.72778371      8.93576467    -14.80035925
  O     16.29270151      6.89550895    -12.34818652
  H     18.37707657     11.69450747    -11.50335227
  H     15.60355624      9.86040942    -13.40113906
  O     14.11928930      7.51181367    -10.63568469
  H     12.58275393     10.27348903    -11.67615450
  H     15.36788875     11.39224091    -13.22127913
  O     18.41169780      5.73679322    -13.80369251
  H     13.00017729      8.78641431    -11.56289374
  H     13.17420358     10.90590746    -15.54051040
  O     14.30855967     12.88893932    -13.52357616
  H     16.96977774      7.41244818    -11.88734950
  H     12.76355518     11.98770186    -16.57053676
  O     17.58868736      9.24613404    -16.02926988
  H     15.49051211      6.96206297    -11.81617211
  H     16.91282554      8.65334307     -9.73123910
  O     18.29346188      8.34222465    -11.00604278
  H     13.66199700      6.90166202    -10.06182825
  H     15.91031446      9.79785420     -9.45069078
  O     16.21665270     11.67833450    -16.56697340
  H     14.77258610      7.97846684    -10.08474578
  H     20.47253568      9.32968000    -14.59503723
  O     19.05244670      6.86741199    -16.18718010
  H     17.59311004      5.96301955    -13.34370025
  H     20.33530637      7.91355879    -15.19171362
  O     18.13934873     13.25168796    -15.51968748
  H     19.12560392      6.01393504    -13.21577614
  H     15.91259184     13.77306093    -13.27575752
  O     12.89062535      9.42006384    -14.78080732
  H     13.70068898     12.69612962    -12.79887839
  H     17.32324532     13.81836849    -13.90398221
  O     15.83918644     10.62784476    -12.86711990
  H     13.90124139     12.59964200    -14.35121620
  H     18.11275098     13.96755027    -10.21344764
  O     13.42272283     11.77104264    -15.91738531
  H     18.05361124      8.42518527    -16.23457498
  H     17.38409498     13.60373018    -11.53223457
  O     16.06936472      8.85637431     -9.30555635
  H     18.20995069      9.79309715    -15.52824976
  H     13.83308733     11.93832101    -10.66953836
  O     20.80132656      8.42466003    -14.51835245
  H     19.07351847      7.85127148    -11.29297199
  H     12.41604208     12.52986507    -10.48660517
  O     16.82850709     14.03131531    -13.10366292
  H     18.40856486      9.24652055    -11.33082422
  H     19.17293141     10.88963902    -13.68298607
  O     17.67615873     13.25388574    -10.66925639
  H     16.54540136     10.77114947    -16.52686097
  H     19.12611964     11.73571896    -14.97207180
  O     12.98692932     12.10030994    -11.11904995
  H     15.26726702     11.65275263    -16.40333766
  H     15.59941043     11.04401257    -11.12717954
  O     19.40580413     10.88080705    -14.62311511
  H     19.21022069      6.19787920    -16.84698433
  H     16.22222150     12.13227799    -10.22603125
  O     15.52225846     11.46811923    -10.25659362
  H     18.77084143      6.40436564    -15.37747837
  H     15.74816413      7.78394407    -13.82881766
  O     15.44507262      8.40790494    -14.50160330
  H     17.41477716     12.74005209    -15.92475805
  H     16.19716778      8.63184258    -15.06604342
          69
 Energy    -251.00380986467204     
  O     10.93989516     10.79849554    -11.65094635
  H     10.41442163     10.46086770    -12.38757806
  H     15.64107298      7.40029922    -17.29648581
  O     13.52446982      7.62657431    -15.17479799
  H     11.74208278     11.16140391    -12.04743050
  H     15.48232295     13.69019338    -14.78555340
  O     17.60311325     10.55380868    -11.34837170
  H     13.93647250      7.16720952    -15.91892385
  H     15.99894276     12.27141208    -14.43923121
  O     18.46901964      9.43407801    -15.74314164
  H     14.24221009      8.11738972    -14.74449879
  H     16.22380593      9.49230752    -14.21517639
  O     12.09610913      9.94323376    -15.18600856
  H     17.84192924     11.04222410    -10.56479677
  H     15.43283562      8.99832976    -13.00047984
  O     16.18440090      6.47472189    -10.90099900
  H     16.65116918     10.36075390    -11.28093226
  H     11.04707336      9.50102283    -10.48435756
  O     12.92422055      6.18004459    -12.90589976
  H     18.77187633      8.60930791    -15.34530614
  H     10.59849398      8.87232141     -9.14271120
  O     14.95493929      9.92945662    -11.45722605
  H     17.80169570      9.21798632    -16.40683015
  H     20.21389704      6.80178450    -14.20314687
  O     16.30178080      9.15519239    -17.59319350
  H     12.49929628      9.06263741    -15.23814283
  H     19.04776951      7.38824727    -13.36893232
  O     15.26803925      4.59905350    -12.89344805
  H     11.20247408      9.81437019    -14.84645483
  H     10.52729723      7.61798105    -11.45000755
  O     17.29713536     11.19509858    -14.08077681
  H     15.35833935      6.87955280    -10.61147272
  H     11.16583584      6.74741450    -12.55116988
  O     15.27662147      6.55734682    -16.99522196
  H     15.92225079      5.74048795    -11.46865798
  H     16.35304098      7.09337998    -14.27422191
  O     15.19986116     12.79121628    -14.64142840
  H     13.61399326      5.50653246    -12.87071221
  H     17.66672569      6.34108287    -14.53687377
  O     15.68009583      8.76207105    -13.90278400
  H     13.05527905      6.65497571    -13.73997629
  H     17.68300078      7.34193734    -11.46752748
  O     11.08828568      8.69360905     -9.94061442
  H     14.46351968      9.18513021    -11.08359024
  H     18.24569707      8.77059856    -11.63330880
  O     19.31840089      7.12069897    -14.26801594
  H     14.33938726     10.47156488    -11.97078850
  H     13.53519903     10.58425004    -16.27645059
  O     10.37511523      7.25742349    -12.33221051
  H     16.44853807      9.41407154    -18.50030378
  H     14.67162218     11.58899768    -16.03456158
  O     16.70775877      6.23453346    -14.54990946
  H     15.61368872      9.75091470    -17.24853372
  H     13.35950595      7.17479997    -11.43219407
  O     18.42380021      7.84616728    -11.83552661
  H     15.46222027      3.67618243    -13.03510542
  H     12.77243114      7.99359551    -10.25684023
  O     14.40407217     10.85394203    -16.59855898
  H     15.80048147      5.10073329    -13.53477939
  H     13.88650452     12.00946128    -13.55494190
  O     13.60067454      7.68778027    -10.64708745
  H     17.86124154     10.67051781    -14.67024814
  H     12.88027981     10.87008929    -13.82153927
  O     13.28404495     11.39687579    -13.11588341
  H     17.55181141     11.01587296    -13.16757815
  H      8.77711980      9.35318677    -14.10658755
  O      9.68718403      9.41753884    -13.83000287
  H     15.84002471      6.28581346    -16.25841329
  H      9.89552843      8.59283140    -13.35490132
          69
 Energy    -251.00022607590768     
  O     -2.72373450      0.09564664      2.71254188
  H     -2.93733402      0.42157655      3.59908929
  H     -4.65893245     -2.32007488      5.29118649
  O     -2.38181601      3.73732217      4.09859834
  H     -2.78401687     -0.86770816      2.73091881
  H     -2.58448559     -2.00276911      9.03058893
  O      1.79948999     -0.80065597      1.62115995
  H     -2.52080140      4.64190915      4.36658799
  H     -2.35682084     -2.42367530      7.55944408
  O      3.42916267      1.00125058      3.04923480
  H     -1.41874923      3.59340837      4.08245828
  H     -0.34001588     -0.21341568      6.41601900
  O      0.20644574     -0.45023466     -0.65664280
  H      1.16410158     -0.35285633      2.20318495
  H     -1.46933220     -0.26333752      7.46432468
  O     -2.63020113     -2.66482319      2.87837388
  H      1.45954176     -0.66583368      0.72757689
  H     -1.53419362     -3.72527934      5.72593241
  O     -1.01449764     -2.57974642      0.55035811
  H      3.05550343      0.30536847      2.49319233
  H     -3.06997456     -3.68288923      5.85426263
  O     -2.34204299      2.55960920      1.44056031
  H      3.08094401      1.82708619      2.69049219
  H     -3.97309033     -1.09605186      7.02195358
  O      0.26177323      3.13012882      4.03654331
  H     -0.33215102     -1.16043867     -0.26538411
  H     -4.18667812     -0.07390222      5.89380971
  O      2.11552538      3.27344589      1.94884653
  H      0.17698512     -0.57958460     -1.60113803
  H     -0.95503368      0.28572596      2.99341012
  O     -0.31636314     -3.33612274      4.33837466
  H     -1.84211014     -2.87966921      3.39743246
  H      0.05880551      1.35960848      3.47859872
  O     -4.60223667     -3.16144921      4.80303960
  H     -3.38932721     -2.89785425      3.42732992
  H      2.04200311     -4.02220903      1.75231954
  O     -2.50930925     -1.65953698      8.14431554
  H     -0.26804299     -3.04292550      0.94935287
  H      1.57716233     -2.55808410      1.92897537
  O     -0.95964737      0.34192143      6.91117294
  H     -1.71945656     -2.62272628      1.20831784
  H      1.89211578      1.65121555      6.30584285
  O     -2.25392939     -3.70548691      6.36953736
  H     -2.59010517      1.66346138      1.70776368
  H      0.41913952      1.68846331      6.77985767
  O     -4.54804596     -0.88462703      6.27600896
  H     -2.46436920      3.09435168      2.23234138
  H      3.34306428      0.63913062      4.75137557
  O     -0.03965123      0.42302223      3.26949983
  H      0.96681367      3.31245554      3.40409422
  H      4.08490713      0.29784586      6.06526714
  O      1.30059330     -3.48564444      2.02116009
  H      0.64656923      2.91711956      4.90113505
  H      0.16893121      1.37735040     -0.02532615
  O      1.14098911      2.24001853      6.45098744
  H      1.44896349      2.90587886      1.33791552
  H     -0.70291397      2.43185254      0.68921127
  O      3.21591215      0.40155509      5.68753230
  H      2.51562118      4.01528254      1.50368400
  H     -2.91098699      2.14436300      4.93020596
  O      0.19345108      2.25713617      0.36456773
  H      0.11979685     -2.59349488      4.78287080
  H     -2.28059992      1.00837733      5.79388881
  O     -3.03470690      1.23578486      5.23136208
  H      0.24959445     -3.56199562      3.59067875
  H      1.73286100     -0.72429711      5.54929530
  O      0.85494555     -1.07036314      5.34989651
  H     -5.47777711     -3.53820564      4.80063639
  H      0.52057354     -0.54519584      4.60345989
          69
 Energy    -250.99813346801858     
  O      0.05196313      1.39266138     -1.51652773
  H      0.60378437      2.18010417     -1.44714924
  H     -2.27266506      0.76172484      4.41744435
  O      1.51882226      3.80630412     -0.96093132
  H      0.60313491      0.64125791     -1.25896882
  H      1.08240440     -1.01320259      3.72896583
  O      4.79869373      0.75119752      2.28007896
  H      1.46475199      4.62285472     -1.45120334
  H      1.01948133      0.42179684      3.15900782
  O      1.29555432      1.30854491      1.68402415
  H      0.96918749      3.92135964     -0.16517211
  H      4.50142729     -2.01944624      0.85851477
  O     -2.48974087      1.22788609     -0.58046658
  H      4.70874322      1.10525621      3.17217898
  H      4.14679178     -0.70647442      1.58708865
  O     -2.35816172      2.59319881      1.86698064
  H      4.58582906      1.48247862      1.68495137
  H      5.20093703      2.38042395      5.33316688
  O      1.45209637     -0.68884775     -0.27029766
  H      1.21962272      0.66776069      0.96429766
  H      4.30696962      3.01375904      4.24014873
  O     -2.23989243     -0.99516457      1.21316892
  H      0.74005429      2.07188101      1.48438455
  H     -3.14409603      3.20188946      4.81517865
  O      3.50102016      2.78271094      0.84620027
  H     -3.09119279      1.26267600     -1.31962517
  H     -2.93083754      3.61963911      3.34688858
  O     -0.24439836     -2.71134554      0.67230908
  H     -1.59061158      1.30027129     -0.94703714
  H      1.24734685      3.48983596      4.35085791
  O     -1.02524490      5.37034957      5.38103267
  H     -2.15876883      1.85853681      2.46731660
  H      0.40095646      4.79006879      4.37328229
  O     -1.88510528      0.45804998      3.58772008
  H     -2.53533791      2.20114147      1.00288223
  H      1.38974050      1.20377287      4.98424763
  O      0.79640419     -0.11403889      3.93782026
  H      0.84800878     -1.40754024     -0.03827042
  H      2.66499954      2.02886276      5.29657234
  O      3.76533194     -1.48131649      1.13855193
  H      2.31478909     -0.93754150      0.08733072
  H     -2.02036773      2.04630485      6.29994128
  O      4.46169034      2.20232632      4.75724059
  H     -2.21671010     -0.57490734      2.08334364
  H     -3.35448445      1.35347192      6.66965140
  O     -3.04982317      3.97091260      4.23861954
  H     -2.38799164     -0.28974187      0.57254750
  H      0.26518537      2.56649385      6.43853056
  O      1.05919868      4.30363497      3.86150560
  H      3.06495829      3.18071999      0.08581999
  H     -0.66478296      3.79948739      6.46021738
  O      1.70441356      2.02811216      5.38423484
  H      2.82341114      2.21593976      1.24817921
  H      0.42158851      4.05809055      2.20211657
  O     -2.83696774      1.66302506      5.93146467
  H     -1.00291485     -2.13878544      0.88760800
  H     -0.85233862      3.49844542      1.49904901
  O     -0.57697560      2.89416004      6.78225015
  H     -0.60261355     -3.51931604      0.31540519
  H      2.42906823     -2.21065766      2.32874180
  O      0.04962682      3.81013764      1.34316498
  H     -1.32216681      6.22583686      5.67811193
  H      0.97363494     -2.67149805      2.15912947
  O      1.64594040     -2.47977730      2.82503421
  H     -1.78358345      4.94380361      4.94241918
  H      2.87565970      4.51176166      3.42265300
  O      3.79563004      4.32234597      3.19460530
  H     -0.96706058      0.21336812      3.77312253
  H      3.77180638      3.92658092      2.31287381
          69
 Energy    -250.99813241694909     
  O     15.61150006     10.23047837    -13.97051748
  H     14.84327292      9.66945681    -14.04068443
  H     17.83513219     10.42054009     -8.53088483
  O     18.71504255     14.68904388    -16.57701313
  H     16.06763833      9.97001758    -13.15126496
  H     20.63864993     16.56251581    -11.28884647
  O     21.57066547      9.14912550    -14.82671062
  H     19.48978873     14.22096362    -16.90961137
  H     20.57305425     17.99553384    -11.87084546
  O     19.07879707     13.20950819    -10.27032414
  H     18.96197943     15.05022241    -15.71508171
  H     20.71253304     12.52394380    -10.79395188
  O     20.46285866      9.67225617    -10.22041179
  H     22.38191942      8.66361590    -14.95396895
  H     22.23831043     12.79311046    -10.71002085
  O     20.16336798     10.65886505    -16.83325379
  H     21.81329467      9.99288294    -14.40507685
  H     17.79558126      9.04248738    -12.07989294
  O     21.85713910     14.09059535    -14.82001784
  H     18.54266278     13.46206013    -11.03669334
  H     17.21094523      9.92208595    -10.96017083
  O     20.68042303     15.49360663     -9.91385257
  H     18.66176706     12.42912160     -9.88628180
  H     21.42671104     13.19816555    -18.20832737
  O     21.92710770     11.59729195    -13.66613871
  H     21.01151883     10.44648607    -10.40417520
  H     20.74058618     12.26320690    -17.18506968
  O     15.45297462     13.11277854    -13.97392398
  H     20.23939509      9.29761713    -11.08317307
  H     22.35877794     16.21283732    -12.60091731
  O     17.53177794     10.93586297    -15.91444568
  H     19.21827947     10.61279487    -16.63471011
  H     22.82643379     15.07681634    -13.53184172
  O     18.08343521     10.70111582     -9.40811721
  H     20.60448092     10.04591663    -16.23400089
  H     19.86251138     16.04643582    -13.38385523
  O     20.71288358     17.08325857    -12.10910764
  H     21.70315504     13.84149001    -15.73980020
  H     18.87879028     14.84510013    -13.48138665
  O     21.58116134     12.14166241    -10.98495172
  H     21.03891746     14.50510947    -14.50605050
  H     23.27550177     14.73558931    -11.23024894
  O     16.97497188      9.44265817    -11.76252041
  H     20.05944569     14.75258659     -9.90958322
  H     24.10697316     14.42986781     -9.96023408
  O     21.03000850     13.17964040    -17.34138070
  H     21.56316881     15.10474033     -9.88987627
  H     20.18844270      8.76697780    -13.47724081
  O     23.07304495     15.57888235    -12.74453873
  H     21.86720777     11.73832859    -12.71002312
  H     19.28959345      9.91001301    -13.00208121
  O     19.52986260     15.36218016    -13.97715046
  H     22.03379766     12.46506889    -14.07914364
  H     18.67358043     11.42372749    -14.54443491
  O     23.25636995     14.28685578    -10.36556886
  H     15.67137496     13.29479747    -14.89661154
  H     20.06186899     11.67149976    -13.84924747
  O     19.54130055      8.99432240    -12.80176868
  H     15.40654185     12.15085661    -13.90631177
  H     15.86794044     13.67672989    -17.42989721
  O     19.11191417     11.59219237    -13.69953431
  H     16.87918029     10.56177936    -15.30768252
  H     17.19322522     13.90131370    -16.66392564
  O     16.37600889     13.37094255    -16.68365049
  H     17.13518707     11.74251968    -16.27122766
  H     18.25647017     12.91923659    -12.96110594
  O     17.77947555     13.69873292    -12.63202602
  H     18.93872007     10.27815312     -9.60643331
  H     16.88351208     13.62799745    -12.98720979
          69
 Energy    -250.99813051400525     
  O     15.76676695     10.10487231    -14.48814345
  H     15.03893420      9.51140268    -14.65514032
  H     18.80061579      9.96559935     -9.91716039
  O     18.76233682     14.92464001    -16.51280215
  H     16.18435612      9.80165418    -13.66306131
  H     20.23134937     16.45034615    -10.97302634
  O     21.82179060      9.41863925    -15.01878543
  H     19.58290969     14.52804616    -16.82795296
  H     20.11869759     17.92136956    -11.44201054
  O     18.80987205     12.94553815    -10.33410470
  H     18.93214733     15.22529123    -15.60996047
  H     20.51113831     12.39434746    -10.79788570
  O     20.39375873      9.49539868    -10.47200192
  H     22.66668925      8.98952235    -15.12858564
  H     22.00998418     12.73669041    -10.58868372
  O     20.45879283     11.01317766    -16.98995313
  H     21.98693484     10.23603801    -14.51563635
  H     17.89214627      8.88152238    -12.55359595
  O     21.81578272     14.35048381    -14.59849603
  H     18.30968691     13.23206019    -11.11273351
  H     17.18665175      9.63210600    -11.40985120
  O     20.24829863     15.27424352     -9.68799950
  H     18.41590482     12.11466708    -10.04279599
  H     21.65556405     13.72224461    -18.06864223
  O     21.95874627     11.77691601    -13.64503848
  H     20.90643321     10.31051826    -10.55549675
  H     20.96177860     12.66984077    -17.17249647
  O     15.43949411     12.96482149    -14.27305913
  H     20.24815254      9.18270760    -11.37514375
  H     22.04920212     16.30390332    -12.18819436
  O     17.76226306     11.07123799    -16.23405259
  H     20.89615739     10.37679375    -16.41279517
  H     22.64134416     15.27620223    -13.17259902
  O     17.91106302     10.32430558     -9.74462252
  H     19.50733276     10.90018482    -16.86077044
  H     19.62200745     16.07015831    -13.15062038
  O     20.32689732     17.04095280    -11.74216108
  H     20.95622779     14.69299170    -14.30911958
  H     18.71888289     14.83032348    -13.41064271
  O     21.41115720     12.07627629    -10.95892462
  H     21.73568125     14.17116363    -15.54358359
  H     22.96211255     14.76851563    -10.88030552
  O     17.03086432      9.20938118    -12.26210212
  H     21.14907252     14.93245180     -9.63491935
  H     23.72742540     14.40276992     -9.58482285
  O     21.20611676     13.61028090    -17.23511367
  H     19.67298083     14.50333936     -9.78527677
  H     20.38125085      8.85178500    -13.80171313
  O     22.80728136     15.72328410    -12.33276833
  H     21.82984864     11.83421198    -12.68705302
  H     19.38822418      9.90150325    -13.29949713
  O     19.36868870     15.42101506    -13.81793241
  H     22.04021598     12.68061051    -13.97924052
  H     20.10784608     11.76630477    -13.94871024
  O     22.91434202     14.24876224    -10.05752031
  H     15.44552749     11.99951703    -14.28550352
  H     18.78370270     11.50354199    -14.75468717
  O     19.68009377      8.98705679    -13.15609703
  H     15.70517129     13.23444989    -15.16125341
  H     16.04059303     13.83558842    -17.63713772
  O     19.15659964     11.62411993    -13.87107058
  H     17.09545757     10.61361815    -15.70498170
  H     17.29826472     14.06661688    -16.76626622
  O     16.51669840     13.49671630    -16.88415210
  H     17.34249731     11.88252466    -16.55168768
  H     16.77134872     13.47140949    -13.15279222
  O     17.63705072     13.55989525    -12.73252508
  H     17.62406788      9.95823168     -8.91184549
  H     18.17911702     12.83722207    -13.08937410
          69
 Energy    -250.99710688068251     
  O     -7.92635389     -3.14197134      5.78723727
  H     -8.54865707     -2.40334808      5.73708013
  H     -4.19000914      0.66775381      2.48704760
  O     -8.70026001     -2.27234870      1.26525029
  H     -7.12584544     -2.80569030      6.20583939
  H     -7.28854210      0.39191368      3.17777984
  O     -7.88097876     -4.18613959      3.29028066
  H     -9.37769694     -1.69156768      1.64074177
  H     -6.62875997     -0.99805226      3.46391406
  O     -5.26559026      0.78636242      0.96623111
  H     -8.55728852     -2.96803563      1.91669059
  H     -4.97022645     -2.53990717      7.58061211
  O     -6.44734405      0.48821231      6.42499451
  H     -7.93738351     -3.86931531      4.20954859
  H     -4.87880380     -1.95592377      6.15077673
  O     -4.95779369      5.23975981      2.22245243
  H     -8.09668644     -5.11444041      3.30780096
  H     -0.75182277      2.76160447      2.57934171
  O     -9.45914209     -0.85516299      5.20796786
  H     -6.09278615      1.20357522      1.25248635
  H     -2.07477419      3.30327547      3.17550914
  O     -3.97008969     -1.69384730      4.70337727
  H     -5.52581321     -0.04897195      0.56124533
  H     -8.48326335      3.51583588      4.46537535
  O     -3.85678222      3.23098835      0.75641759
  H     -6.09632247     -0.32732544      6.80282517
  H     -9.28503044      2.63296729      5.45249419
  O    -10.52074947     -0.66314161      2.58463662
  H     -6.63071182      0.27851885      5.49379825
  H    -10.07491168      2.54339977      3.19765894
  O     -6.33348768     -1.68315057      0.12097807
  H     -4.98703428      6.04487084      1.71285798
  H    -10.97170695      2.76177294      1.95529131
  O     -3.62172158      0.72346959      3.26747923
  H     -4.60675597      4.54702048      1.63417613
  H     -5.77508459     -2.30097752      1.80041683
  O     -7.10360761     -0.26087641      3.86417527
  H     -9.51234913     -0.12201260      5.83073382
  H     -6.38801715     -3.19194382      2.91173854
  O     -5.47013546     -2.07140635      6.91783385
  H     -8.67499936     -0.68064099      4.66190061
  H     -8.06280453      1.13635311      6.83355697
  O     -1.69844619      2.65523158      2.55289104
  H     -3.70955080     -0.84970762      4.31518265
  H     -9.17345963      1.59809055      7.80590660
  O     -9.36780998      3.17889483      4.66185245
  H     -4.48217633     -2.13091609      4.00725984
  H     -3.60228854      3.75781322      4.73223312
  O    -10.32754071      2.16976804      2.33392847
  H     -4.32385417      2.38968466      0.67040974
  H     -3.66584806      4.81012647      3.60912395
  O     -5.71506207     -2.51972693      2.73816759
  H     -3.03018529      3.02906241      1.21242358
  H     -4.40461354      1.76487353      4.53184633
  O     -8.99064361      1.42176449      6.88636747
  H    -10.36196982     -0.79706371      3.52762292
  H     -5.27232011      1.79317845      5.81277493
  O     -3.05479572      4.34840444      4.19673047
  H    -10.55484446      0.29267748      2.46039948
  H     -7.27432837      2.52587748      2.61907413
  O     -4.79166788      2.35660982      5.19476690
  H     -7.23417248     -1.83376773      0.46540019
  H     -8.51851226      1.88192577      1.95320282
  O     -7.56073166      1.80704838      2.03649962
  H     -6.28800929     -2.12148835     -0.72428776
  H     -6.23183614      4.39286631      3.26726959
  O     -6.73522696      3.77096578      3.80787287
  H     -2.85808837      1.25944896      3.01895755
  H     -6.08953883      3.29684170      4.35130531
          69
 Energy    -250.99646013992455     
  O     13.15426804     11.38452961    -14.68617160
  H     13.85268848     11.00146758    -15.23659912
  H     14.94899318      6.48010418    -10.56981067
  O     14.27386488      7.54703105    -17.24599582
  H     13.52160068     11.45878445    -13.79624571
  H     14.01738924      9.34159367    -12.83926422
  O     13.55585907      6.29192270    -11.67468960
  H     13.89614231      7.36698003    -18.10328584
  H     15.01133310      8.45576976    -13.62199910
  O     17.42024561      4.58964112    -10.67804514
  H     13.53043779      7.64928310    -16.62756809
  H     15.84606494      9.71902695    -15.50629770
  O     10.81487402     10.06451978    -14.60994129
  H     12.59856314      6.19073165    -11.63703367
  H     14.92396228      9.34152866    -16.66420163
  O     14.92897008      9.17342742     -9.06130663
  H     13.73272058      7.10717829    -12.17246640
  H     10.08640058      5.53943762    -11.75188506
  O     19.38209894      6.07166912    -12.20419232
  H     18.18103920      5.05374807    -11.04665452
  H     11.02395017      5.75762516    -12.96353315
  O     12.38478883      7.86675485    -15.28321223
  H     16.83935331      5.27335232    -10.31651074
  H     10.78351485      8.00530008    -12.03329791
  O     16.47430192      3.05009506    -12.69922030
  H     10.11662420     10.60129634    -14.97352788
  H     10.81540535      9.32660684    -12.84564410
  O     18.14910087      4.78686714    -14.25126741
  H     11.63281054     10.59521160    -14.65816994
  H     14.15418231      5.18634025    -12.98969574
  O     16.00790415      6.11622576    -15.51846438
  H     14.03817982      9.42965207     -9.33038907
  H     15.04919856      3.99842662    -13.42183104
  O     15.73552679      6.74124968    -10.06977867
  H     15.52600405      9.76363572     -9.53634960
  H     12.61500305      4.87098709    -14.35767235
  O     14.13575718      8.46036463    -13.21353010
  H     18.99722731      5.64260480    -12.98988557
  H     11.89657228      6.13130162    -14.87710631
  O     15.18979289     10.08575454    -16.11352947
  H     20.32663482      5.95823411    -12.26372316
  H     11.84478978      9.69418917    -10.70384749
  O     10.76743412      6.11241416    -12.09367638
  H     11.71089744      8.55401418    -15.21976688
  H     11.81788414     10.62523554     -9.47162784
  O     10.90003264      8.95992075    -11.95750890
  H     13.01203370      8.05942841    -14.56921671
  H     16.59108730      7.64592267    -14.71738745
  O     14.42111244      4.65274876    -13.75239785
  H     16.56290714      2.12541899    -12.48515414
  H     17.08263428      8.37399181    -13.42511510
  O     11.74034656      5.26071228    -14.48435448
  H     16.77246099      3.55000782    -11.91773365
  H     13.53558604     10.87125223    -11.33978473
  O     12.40740336     10.15772532    -10.05795411
  H     17.52888949      5.23716984    -14.83888796
  H     15.03929785     10.98309511    -11.71599837
  O     16.68437101      8.51179224    -14.29368681
  H     17.64066564      4.08594613    -13.82410113
  H     17.39591652     11.20674537    -10.71119487
  O     14.14373359     11.03228748    -12.07364445
  H     15.40241339      5.61833895    -14.94903764
  H     17.07562852      9.77156047    -11.18129971
  O     16.67586387     10.60375229    -10.87963256
  H     15.47848553      6.51718985    -16.21822422
  H     18.30091143      7.50402995    -11.81961779
  O     17.56399157      8.10939804    -11.66806093
  H     15.47661573      7.51944014     -9.55584419
  H     16.90796291      7.62110035    -11.14849152
          69
 Energy    -250.99598948533054     
  O     15.27844674     10.71362686    -10.60137929
  H     15.92760702     10.28016830    -10.03304902
  H     14.86875366      9.69692296    -15.88029966
  O     14.16896636      8.25266124    -15.03251799
  H     15.30158554     10.22786598    -11.44168989
  H     18.84347259      7.80733715    -11.82665603
  O     16.24282791      5.16862922    -12.27781810
  H     14.57609688      7.37690394    -15.05831277
  H     18.68751171      9.32701889    -12.03771707
  O     18.72373017      6.22552941    -12.87093088
  H     13.32658443      8.16965012    -14.56577101
  H     16.48815490      9.44780142    -13.07454012
  O     14.08528630     12.34281389    -14.31358981
  H     15.98159094      5.85780765    -11.65053759
  H     15.13542623      8.87043343    -13.60490669
  O     11.82136328      4.96686976    -11.18416032
  H     15.55211268      4.49035557    -12.24902965
  H     13.56259096     10.51980376    -10.22058767
  O     11.91801933      8.04342377    -13.44975918
  H     19.40615848      5.55773083    -12.85930104
  H     12.26601204     10.86933526     -9.45061861
  O     15.48827012      7.31981394    -10.74144483
  H     17.89288270      5.77183255    -12.65249253
  H     14.14541352      4.68469963    -15.19427447
  O     17.96729516      9.88311689    -16.09623228
  H     13.43592748     11.78748111    -13.84793010
  H     13.43535562      3.53464067    -15.94163232
  O     11.18407431      5.45248617    -13.95693849
  H     13.60602054     13.09966272    -14.64221595
  H     12.30073890     10.73601926    -12.01179210
  O     17.83677285      7.07710982    -15.49798398
  H     12.09047998      5.87289033    -10.96282822
  H     12.03204154      9.91116928    -13.27770178
  O     15.35090724     10.50796340    -16.09762495
  H     11.23921046      4.67736392    -10.48552199
  H     16.30571357      6.20630153    -15.29246363
  O     18.81952794      8.64989954    -11.35819035
  H     12.22469709      7.88901105    -12.54694964
  H     15.70534871      5.60398228    -14.00185907
  O     15.64024462      9.06951017    -12.80833874
  H     11.53409176      7.20534000    -13.74596153
  H     13.28798282      3.97845969    -11.91625381
  O     12.61487404     10.31347791    -10.14273275
  H     16.02130236      7.75240739    -10.06508491
  H     13.76075178      3.57825628    -13.32542616
  O     13.39065299      4.07336143    -15.15569459
  H     15.56550076      7.88106605    -11.53222036
  H     17.57460026     11.22362304    -13.15917147
  O     12.28946597     10.79134171    -12.97352564
  H     18.40110961     10.23257394    -16.86967808
  H     18.13737864     10.31644519    -14.31054827
  O     15.50109295      5.81090425    -14.92376656
  H     17.02790043     10.13681370    -16.16027434
  H     12.57120800      8.44944488    -10.45169274
  O     14.02266571      3.57679913    -12.39635002
  H     11.86267444      4.97260106    -14.44813666
  H     13.69247139      7.41092585    -10.69904945
  O     18.04756030     10.40000191    -13.35349181
  H     11.28281299      5.17771997    -13.03674314
  H     17.65678300      9.08523320     -8.45977618
  O     12.73627567      7.55171207    -10.76449456
  H     17.93632746      8.01269784    -15.70896951
  H     17.81614057      8.92291945     -9.99072470
  O     17.16522442      9.05400779     -9.27531433
  H     18.26450115      6.93001257    -14.64574709
  H     16.02569110     12.10757675    -11.78791299
  O     16.36874498     12.45584475    -12.61929400
  H     14.95482263     11.19824388    -15.55333356
  H     15.61054974     12.48914320    -13.21788874
          69
 Energy    -250.99339398570353     
  O      2.44161767     -1.14642041      4.07438283
  H      1.93333740     -1.43691131      3.30562194
  H      1.31285562      0.14805569     -0.66160778
  O      2.83991622      1.88130765      7.20533897
  H      2.32848037     -0.18989138      4.16113174
  H     -1.95499502      3.45408550      1.96685666
  O     -2.28730714     -3.89757207      6.55803774
  H      2.87988521      0.93257814      7.42139768
  H     -1.62475167      1.94285296      1.92198860
  O     -1.10687911     -0.12498880      9.22945707
  H      3.58613072      2.29408823      7.63140210
  H     -1.27336256      1.15776303      5.08045054
  O      2.40160245     -4.94620070      5.77380949
  H     -2.62755522     -3.10564964      6.98653290
  H     -1.06509641      2.37373249      4.13872634
  O      0.76255960     -2.05061932      2.07296023
  H     -1.40042515     -4.03867699      6.92264525
  H     -1.96875734     -0.37842352      1.67909830
  O      0.78209619     -4.40998259      3.65937423
  H     -1.21414827      0.27555944     10.08935611
  H     -0.96657273      0.21822204      0.66878773
  O      3.94657554     -2.52858666      5.98297189
  H     -0.70379503      0.55537323      8.66076773
  H     -0.34052668      1.99990781      6.80749813
  O      2.65015986     -0.78749634      7.64401584
  H      2.78174204     -5.81353849      5.66128786
  H      0.96507006      1.93890582      7.61958472
  O      0.95021163     -2.17971022      9.40597257
  H      1.85688859     -4.77571183      4.98385030
  H      0.46962196      2.50096804      1.97399014
  O     -1.89604609     -1.77031003      2.92501539
  H     -0.14932795     -1.93053227      2.37519785
  H      1.72363090      1.99584537      2.70947187
  O      0.89492495      0.01240729      0.18422237
  H      0.88432966     -1.44487379      1.33154552
  H      1.14816824     -1.53680945      5.31978451
  O     -1.40063369      2.78470184      2.35847892
  H     -0.17379650     -4.49313247      3.76101303
  H      0.41088172     -2.41922716      6.39032799
  O     -0.79389876      1.99434471      4.98338585
  H      0.91418459     -3.70288889      3.01620786
  H     -2.19878363     -4.22431220      4.86458065
  O     -1.79505146      0.39786212      1.13024233
  H      3.58729095     -2.05749889      5.21649320
  H     -2.63254186     -5.13832473      3.69417248
  O      0.01251167      1.80461418      7.68521778
  H      3.53486188     -3.40052015      5.95983096
  H     -3.93251601     -1.25240068      8.20809262
  O      1.34722077      2.12552308      1.82949710
  H      1.80012511     -0.90321207      7.19418520
  H     -2.41539871     -0.97749416      8.30219721
  O      0.47688304     -1.53135124      6.01575668
  H      3.25925720     -1.39087967      7.19156229
  H      0.60505470     -3.48779399      8.19398888
  O     -2.07682060     -4.39513068      3.91312104
  H      1.70278014     -1.71626122      9.01462368
  H      1.10424379     -4.39255424      7.00170623
  O     -3.10419430     -1.38627664      7.75362369
  H      0.22880388     -1.53948972      9.39916140
  H      0.98599644      1.67954681      4.68676796
  O      0.33205777     -3.97504663      7.40237045
  H     -1.97085531     -1.27687916      3.75447545
  H      2.36996949      1.76792573      5.36619759
  O      1.93464357      1.56022182      4.53138014
  H     -2.05934315     -2.69467602      3.15038444
  H     -1.04196813     -0.84294335      5.60241204
  O     -1.91324812     -0.47630562      5.37001868
  H      1.14142396      0.76998756      0.74509081
  H     -2.50172154     -0.71541560      6.09335439
          69
 Energy    -250.99263274620284     
  O     11.46153189     11.35062482    -15.98359883
  H     11.78210805     10.73427354    -15.30383078
  H     15.91633795      7.76809004    -18.35792589
  O     13.67018713      9.41056141    -20.12221388
  H     10.66937660     11.75374251    -15.63812772
  H     14.94066717      8.38669309    -12.75114619
  O     11.26080662      7.08776857    -17.16006018
  H     13.27017639      9.34624613    -20.98505702
  H     15.37662979      9.86045559    -12.61278964
  O     13.29552325      7.57232058    -10.59634739
  H     12.94071577      9.50600524    -19.48098511
  H     17.16145274      9.18104720    -14.37713204
  O     14.16268327     11.78900405    -16.70898931
  H     11.09932144      7.03250107    -16.20985159
  H     16.65504400      7.71743819    -14.39661217
  O     17.80741389     11.14127721    -18.15132241
  H     11.96130199      6.45295679    -17.34894485
  H     14.37003593      4.86852152    -11.36220726
  O     15.35186559     11.51826195    -19.22517772
  H     13.71741659      8.29357061    -11.08059334
  H     15.54173209      4.73474995    -10.35799856
  O     16.92843298     10.72440213    -13.29249346
  H     13.95547831      6.86914763    -10.54518717
  H     14.12911342      6.12426558    -17.94856834
  O     13.00544236      4.29063136    -12.29751532
  H     14.35697359     10.84551758    -16.59003129
  H     13.65368909      4.67202982    -18.18437709
  O     11.72902714      9.56711712    -18.27331848
  H     13.22903111     11.88889310    -16.49680614
  H     15.57171767      6.25659052    -12.50044379
  O     14.59368230      9.07590497    -16.20267245
  H     18.47853740     11.58055074    -18.66712247
  H     14.88806007      6.32104363    -13.89254224
  O     14.98955553      7.53152312    -18.52129426
  H     16.96101357     11.28958700    -18.61108398
  H     11.83261314      6.83302661    -11.22079155
  O     14.65435958      9.25123875    -12.41873536
  H     14.82225636     10.82811214    -19.64141520
  H     10.39119013      6.32515716    -10.97812978
  O     17.03800362      8.41386690    -14.94931666
  H     14.86351016     11.77507236    -18.43051461
  H     12.75825102      6.06437029    -14.64847177
  O     15.09190651      5.35544045    -10.92418290
  H     17.59951012     11.13874164    -12.75653136
  H     13.63350868      5.38383630    -15.73266771
  O     13.58337941      5.40747690    -17.58127091
  H     16.85421623     11.25658833    -14.10570752
  H     17.67240705      9.26878993    -17.92791797
  O     15.55371610      6.74576168    -13.33148739
  H     12.24774863      4.83542703    -12.05015888
  H     17.49539068      8.26387072    -16.77890802
  O     11.09651901      6.33519436    -11.61958793
  H     13.19688982      4.51391615    -13.21882270
  H     13.21577125      9.54291243    -13.54947431
  O     13.54769692      5.51954120    -14.78181570
  H     11.49889922      8.70004697    -17.90543611
  H     13.26658190      9.27112490    -15.05997466
  O     17.48517346      8.33995503    -17.74238748
  H     11.56659239     10.21221588    -17.57900849
  H     11.08475257      6.83522897    -13.41515729
  O     12.65786606      9.49119383    -14.33555182
  H     14.58541516      8.55302310    -17.01239768
  H     11.69223640      7.97287846    -14.28221780
  O     11.29596276      7.08970640    -14.32163096
  H     15.44622109      8.91398639    -15.77898224
  H     15.81602300     12.13568515    -15.93387402
  O     16.73026312     12.01984979    -15.64164420
  H     14.61984935      8.13814205    -19.17517689
  H     17.21806302     11.73972483    -16.42557881
          69
 Energy    -250.99105788778252     
  O     10.69706849     13.62425141    -10.87802550
  H     11.52378442     14.00735497    -10.54692185
  H     12.17271389     11.07672267    -10.51889544
  O     12.36247640      9.62020459    -17.57188543
  H     10.75450410     13.61330983    -11.84056323
  H     12.85500737     13.27078210    -13.29862243
  O     10.67564171      8.77538310    -11.40455727
  H     11.50584666      9.94773231    -17.24207034
  H     13.79319939     12.45101657    -12.37710346
  O     13.44630276      9.53354101    -14.98864999
  H     12.17640846      9.06110047    -18.32073337
  H     15.65997491      9.34071779    -12.84899340
  O     13.95281610     12.94609768     -7.48629140
  H      9.85692275      8.37574303    -11.12141882
  H     14.32378882      8.93248272    -13.51870618
  O     13.40413547     12.28478958    -17.20030916
  H     10.78423923      9.59358971    -10.88604495
  H     15.68949043     15.51860642    -11.93437465
  O     11.03284323     10.28979332    -13.78035250
  H     14.01183585     10.31965815    -15.02271402
  H     14.86774420     14.23100098    -12.17785310
  O     14.31988258      8.80085356     -8.32252445
  H     13.13242008      9.38391934    -15.88857279
  H     13.86666775      8.00157088    -11.36298384
  O     13.81806418     11.09067958    -11.24710336
  H     13.31434496     12.21116625     -7.44309825
  H     12.38833733      8.02396315    -10.91099663
  O     12.35548235     10.76423722     -7.58856330
  H     13.97783831     13.34190234     -6.61935148
  H     17.94475383     10.32711102    -13.44469928
  O     17.01806335     12.29448681    -11.18413230
  H     13.16184947     11.38813480    -17.46335748
  H     17.05868031     11.19789630    -12.52497783
  O     11.27873427     11.07975247    -10.14481836
  H     14.11539205     12.19146286    -16.55378914
  H     11.00085350     13.33328977    -14.61104934
  O     13.78033354     13.15062995    -13.04944394
  H     11.88509206     10.01096071    -14.14380200
  H     11.02449242     12.13073974    -13.63569101
  O     14.82120882      8.88980511    -12.68904278
  H     10.85149311      9.72617179    -13.02005885
  H     15.11852374     11.89039337     -8.46660576
  O     15.47533142     14.66909414    -11.55627752
  H     14.61785856      8.06898567     -7.78863366
  H     15.25199065     10.37011827     -8.75434485
  O     13.27996877      7.79701497    -10.62206923
  H     13.93853164      8.41635434     -9.13146331
  H     14.66628843     12.33156619    -14.35888209
  O     17.03931570     10.57028492    -13.26996106
  H     14.42743063     11.22000566    -10.50887083
  H     15.88002057     11.39014428    -14.53844311
  O     11.10946164     13.09460628    -13.68242196
  H     14.09891096     10.29394326    -11.71390057
  H     10.82350309     14.15800794    -17.06250051
  O     15.54554170     11.24384764     -9.04528294
  H     12.94738941     10.01754024     -7.74081234
  H     11.91012435     13.10147510    -16.75045464
  O     15.11807227     11.76056945    -14.99939486
  H     11.84104346     10.86571411     -8.40208370
  H     13.41414431     13.99039700     -8.99219796
  O     11.03565030     13.43361970    -16.48002764
  H     16.60222127     13.16045823    -11.27667278
  H     13.97934647     14.59207228    -10.29128928
  O     13.16125781     14.44176165     -9.80632653
  H     16.66780092     11.91700780    -10.36594284
  H     10.25946701     10.49738148    -15.49201621
  O     10.15032654     10.70429502    -16.43038660
  H     10.91623069     11.95831920    -10.33123518
  H     10.27328477     11.65926348    -16.50157675
          69
 Energy    -250.99062563039610     
  O     -7.44916529     -2.70164586      6.24561257
  H     -8.05606325     -2.06273963      6.63779636
  H     -4.16168971      0.55590676      1.73177856
  O     -9.84910114     -2.27055843      2.55693360
  H     -6.55434533     -2.38281247      6.41449117
  H     -6.74393181     -1.12306383      3.37090235
  O     -8.03691697     -4.01904200      3.95868566
  H    -10.02297855     -1.56934654      3.19863183
  H     -8.03911129     -0.45913782      3.96169697
  O     -5.28427294      0.39037921      0.29293761
  H     -9.31021101     -2.92359765      3.01851123
  H     -4.38367159     -1.68837551      5.71477354
  O     -5.96478137      0.74570698      5.99471351
  H     -7.84558675     -3.57903292      4.80701717
  H     -4.10904570     -2.04777728      7.19500362
  O     -5.78935480      4.98054300      1.05502501
  H     -8.21718472     -4.93368231      4.15841872
  H     -2.51599340      3.61171953      2.06861568
  O     -9.35782145     -0.78745519      7.19424760
  H     -5.47195009     -0.51629334      0.02719382
  H     -1.14899006      3.19361912      1.47450571
  O     -3.84330982     -1.59699458      4.07890364
  H     -6.11634327      0.74179910      0.64612394
  H    -10.11651414      3.27916456      4.42063799
  O     -4.36056386      3.01771663     -0.18198799
  H     -5.48169689      0.00776595      6.38339971
  H     -8.67005141      3.01091396      3.96785204
  O     -9.81316503     -0.20553753      4.46832289
  H     -6.35831771      0.39714669      5.17774680
  H     -6.08101829     -2.60091213      1.68189090
  O     -6.29957873     -2.23624276     -0.12548726
  H     -5.94581278      5.69202402      0.43985814
  H     -6.66419541     -3.24558735      2.98627924
  O     -3.59705556      0.75095988      2.49330986
  H     -5.32914908      4.27993891      0.55846659
  H     -9.17648019     -1.55872327      1.04000506
  O     -7.11839819     -0.30137347      3.71335696
  H     -9.93618808     -0.89901709      7.94398263
  H     -8.52331103     -0.22500097      0.60139803
  O     -4.77679168     -1.70582373      6.60729474
  H     -9.00318535      0.11845008      7.24287266
  H     -7.44059750      1.46527916      6.76675148
  O     -2.06344301      2.93247123      1.53693937
  H     -3.64272865     -0.78849179      3.59123830
  H     -8.71342544      2.16270123      6.24776812
  O     -9.39984355      2.65277449      4.49806993
  H     -4.49189181     -2.07387308      3.54232204
  H     -4.04135337      4.02972738      3.55026273
  O     -5.99351388     -2.64103343      2.64251834
  H     -3.49930911      2.99247790      0.25314922
  H     -4.31943396      4.96240501      2.36117838
  O     -8.70130337     -1.12825563      0.31314725
  H     -4.67068238      2.10315401     -0.19696963
  H     -4.52418841      1.89377776      3.58471725
  O     -8.34330852      1.71425818      7.01693023
  H     -9.78595956     -0.44885125      5.40296336
  H     -5.21257648      2.03907082      4.95967547
  O     -3.61857045      4.66338227      2.95252301
  H     -9.76019644      0.75742891      4.42302415
  H     -7.58835542      2.12665614      1.82701407
  O     -4.95888054      2.53142989      4.16896884
  H     -7.20427640     -1.87915938     -0.04107933
  H     -7.43700737      0.66487256      2.26185072
  O     -7.61612639      1.22520337      1.48987788
  H     -6.29475824     -2.80223163     -0.89197471
  H     -6.48252532      3.18936123      3.44597106
  O     -7.24981436      3.56657305      2.98837801
  H     -2.93238137      1.38092910      2.18795931
  H     -6.88863353      4.17357175      2.33024509
          69
 Energy    -250.99039778954267     
  O     11.25269730     11.46497659    -11.55845252
  H     11.72436805     11.45306168    -10.71221887
  H     13.17749638      8.21917846    -13.24810604
  O     13.20602563      8.58236523    -17.11879600
  H     11.40760325     12.33005331    -11.95707801
  H     11.44180533      9.55678937     -7.20132599
  O      9.97426824      8.69642488    -14.35467715
  H     13.39545643      8.67992932    -18.04780785
  H     10.15898371      9.84156527     -8.00472880
  O      8.89504381      8.81507615     -9.06033600
  H     14.02825684      8.80001957    -16.63961460
  H     16.95531673      8.92106685    -10.22895743
  O     12.12264321     13.89307914    -12.65253395
  H     10.40050528      7.92474510    -14.74325733
  H     15.41254375      8.92778388    -10.28971588
  O     15.39168362      9.28920143    -15.75599678
  H     10.42276114      9.44842160    -14.76229248
  H     10.00628167      7.32094834     -8.55389671
  O     13.09936871     13.00518172    -15.01679869
  H      7.94669510      8.90466448     -9.00684498
  H     11.19694257      6.75021415     -9.32985553
  O     15.51666657     11.31955631    -12.36296324
  H      9.12925343      8.91788718     -9.99782716
  H     13.74312907     12.63508153    -10.14207724
  O     12.63106897      8.02518417     -6.98031543
  H     12.47969153     13.62297955    -13.51734249
  H     13.52967838     13.52060997    -11.39097627
  O     11.88029779     10.51705020    -15.48068495
  H     11.71015764     14.74317147    -12.77922830
  H     12.23471365      7.35192568    -16.21878803
  O     13.11444227     10.00468407    -13.04694765
  H     15.56165293     10.21904314    -15.56960657
  H     11.57729187      5.95598376    -16.12394427
  O     13.23555230      7.25067319    -13.30540131
  H     15.68435064      8.78986861    -14.97991248
  H     13.61597729      8.49530885     -8.51398870
  O     10.88292683     10.27082200     -7.53262206
  H     12.58597667     12.24287571    -15.31632357
  H     13.22037783      8.27896840     -9.99134981
  O     16.21705532      9.09125902    -10.80912783
  H     14.02527973     12.74210756    -15.08068350
  H     12.38639687      7.15865800    -11.72112673
  O     10.76669747      6.73310771     -8.46267480
  H     15.87021447     10.61467883    -11.80810588
  H     11.19943898      7.99112330    -11.17232373
  O     14.21019707     13.13940694    -10.82226722
  H     15.13530050     12.00107935    -11.78719251
  H     16.14586263      8.20708728    -12.56358039
  O     11.72801203      6.76226551    -15.63663876
  H     12.82147823      7.59949488     -6.14903008
  H     15.08263004      7.45629362    -13.37761210
  O     13.86654212      8.71935904     -9.41945764
  H     11.96756738      7.47398566     -7.43443305
  H      9.74696304      8.91332296    -12.57722608
  O     11.92481084      7.40827193    -10.90969178
  H     12.26945113      9.94990121    -16.15624941
  H     10.21243227     10.01813059    -11.59314350
  O     15.96335904      7.85256101    -13.43983883
  H     12.36879843     10.33137667    -14.66254995
  H     16.58581458     12.51263616    -15.12966555
  O      9.81965255      9.13359023    -11.63733439
  H     13.96362847     10.42753930    -12.87128401
  H     15.77911266     11.79591922    -14.02203154
  O     15.78831097     12.01362826    -14.97093430
  H     12.45414265     10.46416834    -12.51213533
  H     13.23225088     10.48477500     -9.35839308
  O     12.74453885     11.31146791     -9.25118623
  H     12.73354290      6.98224249    -14.08316673
  H     12.06368474     11.12680614     -8.58750780
          69
 Energy    -250.98942148106869     
  O     16.36290586     10.07790935    -16.89609762
  H     15.49355608     10.41023858    -16.65014730
  H     17.98451899      6.42131933    -11.82710063
  O     15.29101647      5.20519410    -13.27165644
  H     16.64053065      9.51988390    -16.15102644
  H     19.81942068     10.32663832    -16.90662874
  O     18.64357828     13.48218466    -11.31551318
  H     16.18132285      5.26378688    -12.90460284
  H     21.10605560      9.88572498    -17.64864416
  O     19.92276149      8.23546539    -14.75183890
  H     15.36680215      5.46345414    -14.20176365
  H     18.04664314      8.39013009    -14.71464673
  O     17.38277713     10.06168865     -9.15307672
  H     19.14456585     12.77134499    -10.87675408
  H     16.68202634      8.59647672    -13.94998162
  O     15.72284205      8.82403513    -12.41165499
  H     19.07334780     14.30318895    -11.09311275
  H     13.70514825      9.81172813    -15.45461677
  O     18.11854841     11.95039121    -13.63553056
  H     20.16646088      8.62114625    -15.60209686
  H     13.10651395     11.13536169    -15.98203355
  O     19.23222360      5.61278809    -14.95567028
  H     19.83292143      7.27711861    -14.86150516
  H     17.79730192      8.60246483    -10.24133708
  O     13.55513255      7.07653832    -12.43930034
  H     16.91109460     10.73927078     -9.67012132
  H     18.57533450      8.61380576    -11.57531806
  O     17.70948262      5.57383675    -17.41599866
  H     17.04917630     10.11909584     -8.26162927
  H     14.07272918      7.47782553    -15.52923079
  O     15.58151486      6.35922773    -15.79419699
  H     14.96299672      8.23386162    -12.33102771
  H     13.32975377      7.80397982    -14.22599606
  O     17.94264812      5.58376156    -12.31409578
  H     16.42099515      8.51680423    -11.82069637
  H     19.09487317     10.85450563     -9.69582855
  O     20.34059492      9.55195487    -17.18954949
  H     17.16610022     11.78679023    -13.58188605
  H     19.90417129     10.71778565    -10.99492362
  O     17.08861356      8.44245737    -14.81164199
  H     18.32847201     12.60280758    -12.95619595
  H     19.83314150      9.22585215    -13.29210835
  O     13.90155491     10.75132072    -15.62169415
  H     18.66352080      5.50469671    -15.72815344
  H     19.01320859     10.50017041    -12.95763682
  O     17.99744575      8.06641694    -11.01975728
  H     18.68046633      5.52894769    -14.16966361
  H     15.80769548     11.93052675    -11.47925762
  O     13.46102458      8.11085805    -15.13037519
  H     14.11895128      6.32005000    -12.68704567
  H     16.97400834     12.67881001    -10.81275364
  O     19.79362976     11.27494146    -10.21104493
  H     12.86524011      6.73834647    -11.87606387
  H     18.88391102      8.58098624    -17.95145422
  O     19.51047064      9.77118643    -12.56079087
  H     17.84172601      6.48754759    -17.72790237
  H     17.36270163      8.80322348    -17.93954535
  O     16.25239838     12.06274489    -10.63305113
  H     17.88520746      5.00337010    -18.15918200
  H     14.86105451     11.32193878    -14.07103173
  O     18.04440579      8.16244469    -18.17849310
  H     16.13883546      5.93819083    -16.45812037
  H     15.47216219     10.48154811    -12.93062322
  O     15.40537341     11.38540235    -13.27818270
  H     16.12200175      7.08255985    -15.43805472
  H     18.59165286     11.76162431    -15.43148631
  O     18.70582554     11.52225127    -16.35992648
  H     18.42909819      4.94893313    -11.79100684
  H     17.85074462     11.17329350    -16.64763591
          69
 Energy    -250.98887373834708     
  O     17.16371972     10.41440693    -14.74204513
  H     17.96362666      9.87692713    -14.65412463
  H     14.23155594     12.27625884    -12.71900878
  O     14.14658663      6.80826643     -9.69105168
  H     16.53986092      9.90673723    -15.27899932
  H     12.93349695     11.04570159    -11.16542570
  O     17.57456563     13.09310256    -14.61271288
  H     14.10289572      6.19115601     -8.96650254
  H     11.98460303     11.25009741     -9.96200499
  O     12.23271845      8.05089770    -11.41479910
  H     14.37236606      7.67754072     -9.31092514
  H     16.17376156      5.63899634    -14.98935214
  O     15.52424985      8.71235848    -16.14760030
  H     17.65511051     13.47018484    -15.48469714
  H     16.94252413      4.36982874    -15.41367802
  O     19.31029305      8.72058039    -14.45716439
  H     17.40480185     12.14168813    -14.73108402
  H     15.65889324      8.10585703    -12.10738896
  O     20.77995229     10.21272969    -12.59094157
  H     12.78718460      7.50993584    -10.84021269
  H     15.21170140      6.93015776    -11.18226684
  O     18.23423537      6.65692571    -12.90715036
  H     12.26623737      8.94089812    -11.04343995
  H     17.75654843      6.68466943    -16.30118299
  O     12.12259291      7.64560968    -14.09152576
  H     16.33502284      8.36310981    -16.54746515
  H     18.58692554      7.96070286    -16.10392884
  O     15.62002557     13.37497109    -12.56227422
  H     15.19839036      8.00433625    -15.57589427
  H     17.50060801     13.28651892     -9.54015655
  O     13.28335958     10.11426287    -15.00621451
  H     19.93280212      9.21663326    -13.91098632
  H     17.34750472     11.88349704    -10.17087874
  O     13.59147521     11.54884232    -12.68046507
  H     18.96087186      8.00902547    -13.90058656
  H     16.31426893     10.06029276    -13.18235333
  O     12.63851673     10.65702272    -10.32296341
  H     20.28560773     11.05021860    -12.53819811
  H     14.97451279     10.37153484    -12.46947247
  O     17.06141565      5.28056732    -15.15483294
  H     21.70305597     10.43227754    -12.49775252
  H     18.83629237     12.79310469    -13.23362091
  O     15.68768634      7.14308076    -11.99270957
  H     18.03911253      6.05023045    -13.63078986
  H     18.76258413     12.66333531    -11.70283858
  O     17.96801789      7.53355986    -16.70970219
  H     17.37718094      6.81513813    -12.48255388
  H     16.64939757     10.06800584    -10.90369956
  O     17.42681241     12.83086141    -10.37486062
  H     12.13970378      7.78245528    -13.12715994
  H     17.91645628      9.55184299    -10.19108042
  O     15.77403367      9.83489008    -12.41415989
  H     11.23553717      7.37544469    -14.31417968
  H     15.02057550      6.72027417    -13.58604169
  O     19.33398946     12.49608037    -12.46214876
  H     16.23450425     13.40287571    -13.30590549
  H     13.75027682      6.79951258    -14.45525027
  O     17.15036101     10.13129856    -10.07523501
  H     16.16826045     13.25587614    -11.77728410
  H     19.02678073      7.76439648    -11.43398859
  O     14.68563434      6.56353197    -14.48259874
  H     14.00656817      9.79418439    -15.55771106
  H     19.83599517      9.07112480    -11.38476585
  O     19.24444046      8.51124621    -10.86563745
  H     12.80426357      9.32187352    -14.73197159
  H     15.59344159      9.62703949     -9.16413150
  O     14.72270879      9.31356948     -8.88627593
  H     13.44317687     11.18583115    -13.56605327
  H     14.06494156      9.87505427     -9.31598995
          69
 Energy    -250.98658959300872     
  O     11.69829106      6.46127542    -15.34500993
  H     12.41229697      6.62571873    -15.97737226
  H     17.21749477      6.48795867    -16.58786257
  O     17.23469479      7.50586386    -13.62157942
  H     11.32401753      7.32555027    -15.14092593
  H     13.18278831     10.26140826    -16.91417925
  O     14.48629004     10.52002170    -11.74322953
  H     16.89296748      6.80700584    -13.04643144
  H     13.29923952     11.02324661    -15.58959993
  O     14.77995366     11.16478446    -14.44132717
  H     17.34804730      8.29577040    -13.07851880
  H     14.46623917      7.91051860    -15.33480255
  O     15.90052705      5.12098030    -16.85277753
  H     13.81353242      9.84213885    -11.90067851
  H     15.61902908      8.02169896    -14.29003699
  O     14.18965341      7.02835472     -8.97274978
  H     14.53241732     11.00727152    -12.57660073
  H     11.79831512      3.84573493    -13.62396740
  O     16.04309882      5.61605516    -12.00221332
  H     15.69295349     11.43701423    -14.58657002
  H     12.11876020      5.24874019    -14.19208548
  O     12.76364871      8.56630039    -12.68430731
  H     14.77715744     10.19864090    -14.54464440
  H     18.40891283      9.60468992     -8.81976837
  O     16.91586249      9.79214693    -16.95055123
  H     16.10639426      4.34381588    -17.36511236
  H     16.94017088      9.45898426     -9.29151153
  O     16.96727412      6.48897033     -9.56817445
  H     15.66694321      4.81285078    -15.95815698
  H     14.21762641      4.35343094    -14.14333621
  O     17.59950820     11.30782372    -14.54520136
  H     13.66724681      6.65086933     -8.26887638
  H     15.61109291      4.65887377    -13.56833429
  O     17.76074357      7.24613397    -16.34531900
  H     13.82448938      6.68249260     -9.80345886
  H     16.29111664     10.06099496    -12.01202501
  O     12.65856750     10.60671351    -16.18168972
  H     16.49833712      5.79198300    -11.16609488
  H     17.61405228      9.70595600    -11.29428893
  O     14.74585077      8.35739762    -14.52704037
  H     15.11399844      5.83178697    -11.84873857
  H     14.77394132      8.84427067     -9.05614183
  O     12.41248221      4.57176502    -13.55513566
  H     13.48065756      8.42113347    -13.32553377
  H     14.88277167     10.10214266     -9.95454265
  O     17.86510392      9.24482526     -9.51527499
  H     11.99187957      8.80102805    -13.21190083
  H     15.37048517      9.67618004    -17.69861869
  O     15.15612153      4.36029421    -14.36596329
  H     17.21278274     10.31695169    -16.20169230
  H     14.57849533      9.81428338    -19.01957677
  O     17.23279269      9.89641712    -12.16079579
  H     17.27003649      8.89953691    -16.81181791
  H     13.05891096      7.05362900    -11.82312598
  O     15.22199179      9.69476227     -9.14629801
  H     16.07647134      6.63892839     -9.22673515
  H     12.95196711      5.53204924    -12.05472863
  O     14.49852335      9.53444308    -18.11182865
  H     17.39997887      7.35049410     -9.55422948
  H     10.03324067      9.53691082    -14.78442510
  O     13.31304547      6.19448754    -11.45256050
  H     18.32003373     11.93136902    -14.49445542
  H     11.49414274      9.67039634    -15.26873721
  O     10.89775584      9.14243246    -14.70811645
  H     17.58941513     10.82848031    -13.70121273
  H     14.11889077      7.85246904    -17.44809297
  O     13.92017665      7.08897519    -16.89072942
  H     17.73291708      7.28607033    -15.37867210
  H     14.61013477      6.42392375    -17.01579741
          69
 Energy    -250.98384661442631     
  O     12.64596275     13.11182713    -15.08852088
  H     11.87609670     13.66521942    -14.98701961
  H     17.98804165     10.38374696    -13.77552476
  O     17.49742033      6.36828029    -13.68447341
  H     12.90093182     12.81552522    -14.19777866
  H     17.08862316      9.21160134    -19.37175983
  O     18.89947166     10.32597997    -12.25710180
  H     16.66771785      5.87656639    -13.68192563
  H     15.83854351      9.03712258    -18.47567397
  O     14.90647606      5.12267886    -13.75292677
  H     17.52188743      6.84974455    -14.52111961
  H     14.28800616      9.41586077    -13.64432538
  O     14.98555842     10.58868305     -9.33806977
  H     18.78807241      9.42874852    -11.92306312
  H     15.17532860      9.35005945    -12.35735879
  O     13.72772776      6.59786548    -11.82575349
  H     18.32987307     10.89220641    -11.71334340
  H     14.45071424     11.04226481    -16.53408863
  O     13.64649928     12.28616452    -12.66602700
  H     14.72998231      4.19777508    -13.60446347
  H     13.07977575     11.62994575    -16.13507602
  O     14.16471627      8.59992143    -18.14313102
  H     14.45308901      5.61425795    -13.04415038
  H     18.04716051      7.16617308    -12.24164731
  O     15.64088012      8.36606701    -10.89325920
  H     14.09685766     10.62027371     -9.73410543
  H     18.92731288      7.09907053    -10.97180772
  O     17.16707946      8.02616726    -15.95740790
  H     14.87718783     10.75552031     -8.40549082
  H     12.00381884      8.62946774    -13.19530088
  O     14.59244128      6.93880714    -15.85839314
  H     12.94642380      7.15559204    -11.90267959
  H     10.71329545      8.30666738    -12.40998416
  O     17.29284262     10.32235118    -14.44491505
  H     14.40347584      7.14617952    -11.40115126
  H     15.85403820     13.89915417    -13.56199523
  O     16.77255482      9.31322595    -18.47821357
  H     14.11414223     11.45039883    -12.82445774
  H     16.16125456     14.82521100    -12.36565520
  O     14.93666960      9.89765173    -13.11679231
  H     14.33288310     12.94629176    -12.50302361
  H     16.33182110     11.54658256    -10.36955147
  O     13.50552103     10.83732904    -16.48346004
  H     13.76074261      9.36385675    -17.71144813
  H     16.67553719     12.58165777    -11.46805471
  O     18.27689528      7.63436431    -11.41862946
  H     14.17379990      7.89566640    -17.48173091
  H     16.50997872     10.88869451    -17.39701180
  O     11.63852572      8.51443574    -12.30150064
  H     16.58036878      8.15241845    -10.96581439
  H     16.69060000     11.14122797    -15.88234481
  O     15.88391299     13.94050356    -12.58994270
  H     15.52811747      9.06433714    -10.23606656
  H     12.79675526     11.34900239    -11.29192880
  O     17.05400200     11.90058860    -10.90000228
  H     17.20279527      8.35128826    -16.86398247
  H     12.23928940      9.92176989    -11.12275289
  O     16.23746271     11.46769812    -16.67655101
  H     17.27601283      8.80554080    -15.39095818
  H     14.50440146     13.71655228    -15.35554756
  O     12.58936702     10.67400688    -10.63089638
  H     15.48147190      7.32315238    -15.88297803
  H     15.82661308     13.11151924    -15.85768953
  O     15.46245118     13.79984873    -15.28584642
  H     14.63493077      6.20238809    -15.23579436
  H     13.02108844      9.54030613    -15.32008388
  O     12.92807068      8.79949188    -14.70496665
  H     16.45856927     10.22248407    -13.96363747
  H     13.42977196      8.06297635    -15.08304733
          69
 Energy    -250.98339038956539     
  O     21.51951887      7.85525457    -13.99490615
  H     22.31435595      8.22468121    -14.36956382
  H     17.86428335      4.41124072    -15.03609663
  O     17.02503086      6.51360668    -10.37220581
  H     20.77057476      8.24426418    -14.48459928
  H     15.35882813      9.48199184    -12.10337001
  O     12.30406934      8.98497558    -12.44820162
  H     16.34529692      5.82935225    -10.39775244
  H     14.02200547      9.56461554    -12.87755676
  O     17.65009524     10.48747595    -13.69639247
  H     17.39942582      6.53757681    -11.26713635
  H     18.40538046      6.13859475    -13.54592050
  O     12.29398952      6.26643568    -12.53803664
  H     12.26547989      8.01793188    -12.55815946
  H     18.76337808      7.36669085    -12.64567227
  O     20.04879216      3.88432952    -11.40014120
  H     11.44293141      9.32254064    -12.67906480
  H     15.45810040      8.26279669    -13.97229187
  O     15.14668869      4.55881240    -10.90961732
  H     17.97311787     10.62097021    -12.79704133
  H     16.64487055      7.28268877    -13.81570798
  O     20.89276813      5.08334776    -13.68961305
  H     16.70014946     10.34967571    -13.60573922
  H     19.93991061      5.42866022    -10.32687487
  O     17.35497365      3.09815474    -11.98318720
  H     12.37601876      5.99515288    -11.61524762
  H     18.83086298      6.35232285     -9.80524546
  O     16.54109540      3.20954905    -14.53693872
  H     12.98842008      5.79423304    -13.01530142
  H     16.99403236      7.42117216    -17.41184771
  O     19.35632752      8.89860552    -15.21613038
  H     20.65827975      3.18516365    -11.17549960
  H     16.76504215      7.36915659    -15.88209284
  O     18.55645355      5.07467881    -15.15348765
  H     20.39064212      4.29956129    -12.21169501
  H     12.98900217      8.74999514    -10.65282978
  O     14.97655264      9.67032565    -12.97375902
  H     14.36958001      4.84928097    -10.41580024
  H     14.34613026      8.75271729     -9.92293285
  O     18.05446568      6.76432174    -12.90170740
  H     14.96099917      4.75445571    -11.83974970
  H     20.12055841      7.62733417    -11.00551323
  O     15.86136836      7.47396510    -14.35625650
  H     21.20627002      5.98941871    -13.79337166
  H     20.73419548      8.20035038    -12.34363560
  O     19.79090006      6.28012067     -9.89614965
  H     20.19036603      4.96828746    -14.34559689
  H     19.04343896     11.10934730    -10.47331926
  O     17.42441549      7.22697179    -16.58343486
  H     16.69023510      3.51291350    -11.41949211
  H     19.13176061      9.73559601    -11.17936561
  O     13.43554479      8.43664543     -9.85677987
  H     18.22387010      3.40050940    -11.69323626
  H     15.00411783      5.94635093    -13.92135024
  O     20.07383465      8.34598108    -11.65618886
  H     16.39740231      2.33415769    -14.88617252
  H     15.15909892      4.41173044    -14.04089125
  O     18.53298114     10.47360663    -10.96786991
  H     16.85723296      3.10000568    -13.61990698
  H     13.11176288      6.72351624     -9.71618381
  O     14.62542562      5.10322036    -13.63251787
  H     18.78095939      9.50072315    -14.72054934
  H     12.32230590      5.58641583     -9.02627083
  O     12.89168579      5.77584848     -9.76702729
  H     18.77643552      8.37888769    -15.78139766
  H     16.41290673      8.20020669    -10.36591791
  O     16.10565733      9.11340995    -10.46919075
  H     18.22327720      5.73582104    -15.77291895
  H     16.89639164      9.66388135    -10.51555144
          69
 Energy    -250.98200575804327     
  O     -7.06916332      3.25778446     -1.29475013
  H     -7.43450615      2.47631054     -1.72473457
  H     -5.50305265      1.96607557      4.66637482
  O     -3.48913483      1.97584270     -3.67012226
  H     -7.03753588      3.04087106     -0.35329545
  H      0.16932055      1.67215847      2.15034341
  O     -6.53298862      2.13699923      1.24231855
  H     -3.70356558      2.06181505     -4.59578469
  H     -1.10779502      0.81315052      2.27874700
  O     -4.32213926     -0.53167103      2.42048807
  H     -4.10520138      1.32017773     -3.29981457
  H     -2.16695305      3.41931657      0.06622276
  O     -1.67913040     -1.42105901     -0.87007864
  H     -6.29484787      2.12955339      2.17558244
  H     -1.35983885      2.28904024      0.77056318
  O     -5.14307653      0.24862069     -2.35363389
  H     -5.72407119      1.88434101      0.77030949
  H      0.12140391     -1.41377228      2.04972543
  O     -6.03650941     -2.24029095      1.03217192
  H     -4.99623530     -1.13629021      2.08317968
  H      1.43545614     -0.64314796      1.83753709
  O     -4.38571316     -2.16791510     -1.10538444
  H     -4.74497576      0.14683179      2.96162029
  H      2.66331885      1.63168202      1.42344920
  O     -1.25174347      1.00586602     -2.21836942
  H     -1.59025986     -0.60592692     -1.38371573
  H      1.65512822      1.01350560      0.42800385
  O     -1.66295941     -0.85986148      1.87825173
  H     -0.82656362     -1.87172736     -0.91591317
  H     -7.97952250      0.31764802     -1.35173504
  O      0.97694473     -2.36464360     -0.72515683
  H     -4.85800888      0.55657521     -1.47764988
  H     -8.70618128      0.41952677     -2.71512085
  O     -5.29107965      1.75631675      3.76120285
  H     -6.09949622      0.37001916     -2.40681018
  H     -2.29640743      2.77149642      2.87437795
  O     -0.77194660      1.71878683      2.36210453
  H     -5.44664708     -2.27208070      0.25637298
  H     -3.25312194      3.77278532      2.17729212
  O     -1.77679023      2.54590181     -0.06271712
  H     -6.30416325     -3.13762777      1.21179550
  H     -7.49765935      0.62290141      0.74035386
  O      1.06352911     -1.53329432      1.86366780
  H     -3.43271880     -2.03522612     -1.01696754
  H     -7.30147056     -0.90307388      0.57143196
  O      1.80871599      1.21239564      1.36911917
  H     -4.68901231     -1.46232395     -1.69125201
  H     -3.40208547      1.61178410      0.05672794
  O     -7.90691874      0.66695515     -2.25914656
  H     -1.89723546      1.29202140     -2.87349205
  H     -4.13900931      0.49042847      0.85183282
  O     -3.15872053      3.19981652      2.94776061
  H     -1.37342920      1.60531165     -1.46364992
  H     -3.76474203      4.56676201     -0.30197307
  O     -7.85915736     -0.16240174      0.30642540
  H     -1.70521801     -1.03379923      0.92709015
  H     -3.17726656      5.73872712      0.51600900
  O     -4.21662735      1.09817168      0.10563645
  H     -2.57295374     -0.86082298      2.20386723
  H     -5.39561358      3.80030892     -1.68655275
  O     -3.28406730      4.79132659      0.51671375
  H      1.46751789     -3.16392097     -0.89439366
  H     -4.08883364      3.42784505     -2.43475569
  O     -4.45797129      4.02772799     -1.78008323
  H      1.07181482     -2.16911812      0.22451472
  H      0.54145303      0.70209793     -1.69184486
  O      1.33453827      0.44330789     -1.20529274
  H     -4.52069303      2.30276625      3.51785996
  H      1.32037231     -0.52149780     -1.17797262
          69
 Energy    -250.98142214927640     
  O     17.93392511      7.18496890    -15.77517931
  H     17.21657039      6.54415956    -15.65724807
  H     17.28097170      4.61764610    -11.91744654
  O     19.88681206      7.10038628     -9.20202495
  H     18.68855181      6.68790089    -16.11376719
  H     15.14903423      8.52470617    -15.91407639
  O     14.77309496      9.71079101    -10.65693785
  H     19.35516083      7.91300014     -9.28980857
  H     16.69056405      8.57200479    -15.93186187
  O     19.95721663      5.40216343    -16.49075491
  H     20.53049104      7.26665788     -8.51901398
  H     18.91620413      7.22750122    -12.66479605
  O     12.97832190      7.89711246    -13.33022295
  H     15.65383159      9.80631444    -11.05093124
  H     18.22816390      7.60621573    -14.02403156
  O     17.70565718      5.23295387     -8.98442139
  H     14.16350843     10.14879206    -11.26018519
  H     13.45716596      7.41773832    -14.91807094
  O     14.25479957      6.99802571    -10.95221816
  H     20.33453103      5.15904519    -15.62570347
  H     13.00666063      7.13556667    -16.37180918
  O     19.97787115      6.04407545    -11.77994156
  H     20.66596975      5.34797667    -17.12567379
  H     15.63010442      7.94419149     -8.18113708
  O     15.18897120      6.08018951     -8.47564045
  H     13.28542318      7.47425445    -12.51854631
  H     15.35739798      9.27607477     -8.89992671
  O     16.18317280      5.88697461    -12.59308961
  H     13.02494189      8.84824051    -13.17594014
  H     18.48469142      2.77589036    -14.44364134
  O     20.80482860      4.60850580    -14.04625620
  H     18.44768816      5.84881274     -8.97224834
  H     19.03757728      1.52357594    -13.72198679
  O     17.99774210      4.08897714    -11.53522170
  H     17.81339192      4.69697219     -9.78110146
  H     14.16716565     10.94516687    -13.36772721
  O     15.90235504      9.12502485    -15.85617268
  H     14.45544285      6.58448008    -10.10273439
  H     12.74038877     11.43645603    -13.02867728
  O     18.20568867      7.74476232    -13.06777968
  H     14.43802703      7.94189360    -10.83461039
  H     17.52636166      9.16614336     -8.90974141
  O     13.77703183      7.21341811    -15.81560664
  H     20.10014382      6.43503581    -10.90539471
  H     18.05932495      9.68011282    -10.26745640
  O     15.87725709      8.87651196     -8.18984769
  H     19.33422266      5.32826298    -11.66752881
  H     17.57391829      9.23500008    -12.35977839
  O     18.92452524      2.46590035    -13.63168913
  H     14.83655953      5.55172624     -7.76464354
  H     16.81937826     10.53974165    -12.70634579
  O     13.35254801     10.71764015    -12.89112368
  H     16.09470697      5.76047775     -8.63807720
  H     15.07737738      5.90380332    -15.55560369
  O     18.33128322      9.27279558     -9.43852822
  H     16.83665363      6.59216145    -12.70382918
  H     15.89267981      5.47021972    -14.31200126
  O     17.18904609     10.03689509    -11.97268424
  H     15.48406886      6.23112768    -12.02261681
  H     17.05745501      4.06788024    -15.74848427
  O     15.84602309      5.39165013    -15.27720707
  H     20.69946150      5.17474277    -13.27043227
  H     18.52038035      4.10612840    -16.24471761
  O     17.84412341      3.52150545    -15.88180376
  H     20.30228132      3.80641926    -13.85679358
  H     16.11055843     11.98129262    -14.63747219
  O     15.76911970     11.21637163    -14.18175652
  H     18.25913000      3.43498435    -12.19461355
  H     15.83102922     10.46754389    -14.80369849
          69
 Energy    -250.98091284920736     
  O     17.92996659     10.88072951    -17.30755820
  H     18.04723137     10.16733152    -16.65771202
  H     15.97814151      6.27736378    -16.53975365
  O     15.37038372      5.92913170    -13.27548305
  H     17.15965246     11.37771171    -17.00401979
  H     17.50701779      7.65379440    -11.56914148
  O     16.46882116     13.62070514    -12.44215115
  H     14.96700811      5.09766146    -13.04089603
  H     16.99584597      6.41965755    -12.32855651
  O     21.54388757      9.08019966    -13.28276890
  H     15.69353145      5.83524178    -14.18950520
  H     21.08194432      9.09905768    -16.59527735
  O     15.43549419      7.64261758    -17.77871449
  H     15.67844792     13.65218210    -12.99508540
  H     21.05686304     10.57887106    -16.12595928
  O     13.71138973     11.16372979    -12.30015470
  H     17.20168581     13.39805483    -13.03091393
  H     18.25792211      8.04424349    -15.48375940
  O     14.78444072      8.64522090    -13.00872910
  H     22.43456824      9.19291455    -12.96290555
  H     16.96278230      8.91095855    -15.35250484
  O     18.36033010     12.57233968    -14.26488128
  H     21.55846608      9.27885167    -14.23676833
  H     16.59280569     10.25812394    -10.98724755
  O     20.11408583      6.57346098    -13.39054857
  H     14.63081331      7.56907516    -18.28651863
  H     17.68448152      9.75732455    -11.97175203
  O     15.16641322      9.33658010    -15.63747678
  H     15.25333106      8.27020072    -17.05841613
  H     15.79815439     12.29905515     -9.61965176
  O     18.99789686      6.41144754    -15.83730237
  H     13.89753241     10.24880276    -12.54679556
  H     16.10417508     12.53097200    -11.11902439
  O     16.31721613      5.76171998    -15.80035157
  H     14.30679761     11.36599152    -11.56720572
  H     18.62831401      9.68464059    -13.89422736
  O     17.77652394      6.78840411    -11.89954022
  H     15.53944484      8.93593885    -12.47493401
  H     19.89528795      9.85617538    -13.01829928
  O     21.40860315      9.70548597    -15.91947284
  H     14.84352452      7.68237789    -13.05819926
  H     13.87642804     12.47081176    -13.43618976
  O     17.92705125      8.93807615    -15.32903534
  H     19.03156679     12.66335127    -14.94935372
  H     13.29806126     13.74606969    -14.09665469
  O     16.92216545      9.47549999    -11.44445590
  H     18.59837038     11.77235709    -13.77108076
  H     20.95371431      7.45653453    -18.54607422
  O     15.80547319     11.86884923    -10.47034668
  H     19.34976997      6.62959986    -12.79653761
  H     19.55262449      8.04292185    -18.25964135
  O     18.98614493     10.15968517    -13.12662192
  H     20.64185890      7.36604229    -13.24838104
  H     16.77784381     12.19286325    -15.16349855
  O     14.08888956     13.21927084    -14.02329389
  H     15.36044571     10.28328041    -15.65763853
  H     15.26223460     12.49317673    -15.23623463
  O     20.40982007      7.82404827    -17.85374038
  H     14.92944929      9.10330837    -14.72841756
  H     19.38951362     11.81293623    -16.91817318
  O     15.97685470     12.01877108    -15.67925511
  H     19.47107103      6.37627991    -14.98909227
  H     20.49464401     12.87099555    -17.14559160
  O     20.15353704     12.25110576    -16.50521943
  H     19.60084208      6.73957318    -16.51263445
  H     17.91245010      9.45085129    -18.52883627
  O     17.96415076      8.53480615    -18.83341278
  H     17.28151106      5.84367672    -15.83874293
  H     17.13651635      8.12680525    -18.55157956
          69
 Energy    -250.98038926893273     
  O     18.20692612      9.68630330    -15.19842163
  H     18.88788013      9.23208214    -14.67429003
  H     20.20087726      4.42030049    -13.36238407
  O     21.41479355      7.77694223    -11.45888211
  H     18.62986507     10.44863525    -15.58811676
  H     16.56578413      9.87783815    -14.23066244
  O     15.35011882      7.74453307     -9.47633099
  H     20.73362152      8.07382901    -10.82918272
  H     16.26811104      9.70817839    -12.72808327
  O     13.36765524     10.34876293    -12.25316194
  H     22.25428750      8.06227948    -11.10789843
  H     18.65939418      7.18908095    -13.13039445
  O     11.90078851      8.24848940    -13.51614369
  H     14.62024998      8.37157823     -9.39328737
  H     17.31876613      6.46560427    -13.42713497
  O     18.22693688      5.19723018    -10.50670039
  H     15.06621064      7.07480149    -10.11666967
  H     15.05144931      6.79895058    -14.35414600
  O     14.33921375      6.04924867    -11.42615350
  H     12.76554306      9.76450326    -12.73191960
  H     14.95567434      8.25917851    -13.81741942
  O     20.73779472      4.96014298    -11.72587081
  H     14.18709214     10.36159214    -12.76278978
  H     16.81818190      7.20486885     -8.61374150
  O     16.09662922      3.83739138    -11.68808437
  H     12.77246200      7.87742213    -13.73986303
  H     17.55793525      6.63794623     -7.38090891
  O     17.17536151      3.23707147    -14.09015611
  H     11.35315197      8.14976643    -14.29042054
  H     20.37028196      5.47520397    -15.30432390
  O     20.07773997      8.13680226    -13.87604777
  H     18.08239326      5.71185786     -9.70508109
  H     21.38377538      5.96909177    -16.36723691
  O     19.86561592      4.25479673    -14.25652998
  H     18.09591219      5.79553222    -11.25951182
  H     13.28309686      9.86713946    -10.57072186
  O     15.84645170      9.85550207    -13.58940816
  H     14.46335511      6.49919223    -12.27224697
  H     12.78661941     10.18049905     -9.14059161
  O     17.84874189      6.85879709    -12.72329577
  H     13.42947589      6.24505599    -11.15778755
  H     18.69103005      8.96935648    -10.32841577
  O     14.47523643      7.42329527    -13.89068453
  H     21.06399145      5.85992276    -11.61618699
  H     18.99303829      8.03054644     -9.16320510
  O     17.68155860      6.89545783     -8.29101548
  H     19.94082640      4.90657542    -11.18043892
  H     16.94443485      6.17546293    -15.58743294
  O     20.64312626      6.24722916    -15.83672076
  H     16.83911167      4.15569561    -11.15644426
  H     16.62873580      4.86530600    -14.77009669
  O     13.18936629      9.50008467     -9.67344679
  H     15.39912560      4.49659430    -11.58169475
  H     18.02774018      8.04842886    -16.26651004
  O     19.42069407      8.59842422     -9.81460320
  H     16.76804629      3.38955111    -13.21790687
  H     18.95035736      6.82859741    -16.47120742
  O     16.39007508      5.79198468    -14.89127101
  H     16.95471451      2.34487601    -14.34337208
  H     12.18505423      7.93962697    -10.34310248
  O     18.04505606      7.14194499    -16.59540164
  H     20.63768833      8.07048488    -13.09165803
  H     11.71304505      7.51441161    -11.74177500
  O     11.88257029      7.17791869    -10.85203650
  H     20.39991942      7.50562370    -14.53528988
  H     16.43247635      8.71807481    -10.61605300
  O     17.05737943      9.04229447    -11.27696199
  H     18.99393140      3.85621365    -14.16729013
  H     17.32063080      8.26644194    -11.79915912
          69
 Energy    -250.97941762245682     
  O     12.08217837      2.15271400     -8.47737382
  H     11.55172683      2.94932154     -8.34079751
  H     12.14721658      8.86476741    -11.01527471
  O     11.32739805      1.64605456    -11.17835874
  H     11.78774490      1.78264042     -9.31996238
  H      9.22571420      2.28565017    -16.29473711
  O     12.21975836      6.65191605    -15.96574947
  H     10.63894819      2.32493139    -11.11048780
  H     10.24619087      3.03514313    -15.40434049
  O     14.62547926      3.01616078     -8.85200789
  H     11.16425822      1.17857593    -12.00531508
  H     10.30641435      6.85785156    -12.68525544
  O      9.55432400      3.74198209    -10.99118824
  H     12.66518510      6.99630405    -15.17078135
  H     10.58361673      8.36623962    -12.46973555
  O     10.93019629      0.59141950    -13.78809441
  H     12.63611826      7.07109177    -16.71383283
  H     11.98768909      5.33671949    -12.36945205
  O     13.92053211      2.66052375    -11.59096720
  H     15.25336533      2.62990926     -8.24777214
  H     11.14247669      4.82864056    -13.56649934
  O     13.71824932      5.42745544    -11.86621821
  H     13.75252508      2.64280453     -8.63004257
  H     13.73512284      2.29736321    -13.42703240
  O     12.09949580      8.06472182     -9.47818464
  H     10.07150753      4.28971481    -11.60400459
  H     12.65524482      1.49394190    -14.17031844
  O      9.37257627      6.79154861    -15.27413214
  H      8.62736845      3.94458318    -11.15892861
  H     10.31268139      5.48067624     -8.40890102
  O      7.94510099      4.60356648    -14.30599622
  H     10.73134808     -0.30547278    -14.04766915
  H     10.26795180      4.33076988     -9.43877589
  O     12.11549023      9.27423276    -11.89875739
  H     10.35226026      1.16718149    -14.31291742
  H     12.35794591      3.49651259    -14.95946933
  O      9.50811481      2.39760304    -15.38971770
  H     13.02010204      2.33591748    -11.43989259
  H     11.92999377      4.89498309    -15.57192056
  O      9.88950733      7.73376009    -12.68897783
  H     14.33506921      2.71257163    -10.72165361
  H     13.91922185      4.80586034     -8.93021515
  O     11.08214110      5.21327013    -12.68354275
  H     13.62737267      5.62020238    -10.92317447
  H     12.43406499      5.22654467     -8.95744904
  O     13.34487849      2.15596463    -14.29977674
  H     13.88494988      4.47698719    -11.91864993
  H      6.12205869      4.41513621    -11.76161547
  O     10.72902031      4.64299965     -8.64655987
  H     11.24128986      7.85727434     -9.08800360
  H      7.31822702      4.68453506    -12.70533533
  O     11.60965981      4.06251687    -15.20360767
  H     12.67059465      7.31425903     -9.27284489
  H      9.02771422      7.16756107     -9.18541222
  O     13.33440901      5.55049050     -9.11279466
  H     10.27073852      6.77814182    -15.62142001
  H      9.09912972      7.64572960     -7.71478576
  O      7.03654842      4.68299921    -11.77168250
  H      9.43161996      7.29041883    -14.44701698
  H     13.71231960      6.80847219    -13.11702156
  O      9.59769636      7.20184703     -8.39519645
  H      8.38424856      3.81161952    -14.62955065
  H     13.04991128      8.19647701    -13.14595678
  O     13.44681202      7.52300779    -13.71156350
  H      8.39807172      5.35886546    -14.70971361
  H      8.66223934      7.40872609    -11.37564510
  O      8.12224322      7.07840482    -10.64352525
  H     12.24973573     10.20945097    -11.77134051
  H      7.66330805      6.30201997    -10.98308999
          69
 Energy    -250.97849960728803     
  O     17.69763346      7.65804546    -15.71629423
  H     18.35435807      7.07375994    -16.11500901
  H     18.04949852      4.17909475    -12.09050680
  O     19.46997004      5.74418429     -9.32032156
  H     16.87027359      7.15383836    -15.68751459
  H     15.23131801      9.50542309    -15.56983349
  O     15.06576642      9.64251670    -10.22902531
  H     20.11177469      5.64075353     -8.62323221
  H     16.75159362      9.25248591    -15.63560890
  O     19.34922590      5.62514082    -16.69417698
  H     19.19732737      6.68039416     -9.31392178
  H     18.05000670      7.67654414    -13.91765541
  O     12.96168261      8.90144593    -13.04864442
  H     14.70052723      8.79463108    -10.52486628
  H     17.93703221      8.34599079    -12.49762609
  O     16.89264407      4.49062128     -9.43423663
  H     14.61310511     10.33177331    -10.72694297
  H     12.87092641      8.62252959    -16.17290698
  O     14.05090516      7.20095830    -11.06501294
  H     19.64608831      5.10714898    -15.92411286
  H     13.34724678      8.59905022    -14.70011407
  O     19.48687410      5.31168390    -12.08074209
  H     20.03227231      5.55003930    -17.35486400
  H     15.67699980      7.48333064     -8.10557656
  O     14.71614116      5.89850700     -8.66630171
  H     13.23162685      9.77257627    -12.73523481
  H     15.72559397      8.92750574     -8.61962383
  O     15.81750444      5.95272102    -12.76909598
  H     13.19013599      8.27379671    -12.35064634
  H     17.32008771      2.93267409    -15.24885229
  O     19.96922319      4.09037565    -14.55075633
  H     16.92261755      4.04690003    -10.29112560
  H     17.57695818      1.45298948    -14.87874373
  O     17.23211452      3.65774542    -12.11053645
  H     17.76246258      4.89040374     -9.31206237
  H     17.80227221      8.30798763     -8.75816376
  O     16.08900058      9.93088510    -15.45011977
  H     14.63776584      6.73989579    -11.68283465
  H     18.45130532      8.88827056    -10.03430365
  O     18.09471367      7.51576015    -12.96592993
  H     14.13260584      6.73620638    -10.22230192
  H     17.31944863     10.51192649    -12.17537338
  O     13.63480218      8.47261691    -15.62247349
  H     19.07766076      6.13436801    -12.38990920
  H     16.70341957      9.70355464    -11.02398559
  O     16.15517556      8.31525831     -8.00676102
  H     19.62808170      5.41449492    -11.13149453
  H     14.65256732      6.91741580    -15.59737129
  O     17.66723983      2.34479106    -14.55419407
  H     14.23429941      5.37637098     -8.03046140
  H     15.38048108      6.07028866    -14.51565417
  O     18.60657403      8.28762893     -9.29971507
  H     15.48943243      5.36904273     -8.93312843
  H     16.22782870      4.78193188    -16.20476827
  O     17.51471066      9.81272124    -11.54222866
  H     16.57983448      6.54973291    -12.78179335
  H     17.68254444      4.61621904    -16.69124785
  O     15.31070352      6.22368666    -15.46995774
  H     16.16223642      5.08225834    -12.53099337
  H     14.83479490     11.57878671    -12.60680567
  O     16.88863099      4.12192020    -16.45418789
  H     19.30766483      3.38885493    -14.51970132
  H     13.55796182     12.27539861    -12.08134279
  O     13.99778424     11.43057833    -12.13830300
  H     19.96239975      4.50261755    -13.67605568
  H     16.32672638     11.05856727    -14.19503739
  O     16.44432667     11.67772869    -13.45040990
  H     17.29563808      3.08812623    -12.88648283
  H     16.92820398     12.42654124    -13.78841326
          69
 Energy    -250.97764305990890     
  O     -3.70554734     -0.38806056      3.15819446
  H     -3.47400393      0.44664691      3.58720935
  H     -2.91188985      1.82654965      0.12025207
  O      0.29989142      3.22771257      3.17843176
  H     -2.88240012     -0.81387465      2.88196942
  H     -5.82047252      1.42816844      0.49649830
  O     -1.41890182     -1.46363116      2.03800095
  H     -0.51883582      3.59802277      2.82287176
  H     -7.24552457      1.47005066      1.06899412
  O     -3.78058573      0.39022964     -2.83539509
  H      0.06377627      2.81816432      4.01994627
  H      2.51258742      1.54298434      1.66277341
  O     -1.70473982     -1.25562910     -1.77546959
  H     -1.09141412     -0.81178953      1.40367680
  H      1.16542282      2.04760592      2.23224818
  O     -4.12467884      0.71362771      0.63686140
  H     -1.93104218     -2.10204834      1.51939518
  H     -5.45001729      3.63352623      3.00166899
  O     -7.64659041      1.18160819      2.88307809
  H     -3.04206940     -0.16389477     -2.55599068
  H     -4.82331383      2.59468883      3.94943745
  O     -3.02017030      2.09148825      4.18109993
  H     -4.56990607     -0.00110628     -2.43510556
  H     -3.05488991      4.37712809      2.08852534
  O     -3.61690216      3.07221469     -2.52921211
  H     -1.18542778     -0.71707507     -1.15638847
  H     -2.15624452      3.40164811      1.29878910
  O     -5.81481582     -0.61695129     -1.24979080
  H     -1.07482521     -1.74260838     -2.30285797
  H     -5.11093264      5.88922934      1.87756307
  O     -5.86391126     -2.81231811      0.45865000
  H     -4.47005498      0.07734617     -0.00046911
  H     -5.05307363      4.65996665      0.94140157
  O     -2.20950940      2.41954696     -0.19862925
  H     -4.02976993      0.27430812      1.49161634
  H     -6.80760623     -0.53296274      2.76326291
  O     -6.74638145      1.58468759      0.25160800
  H     -8.41826457      1.36527626      3.41166863
  H     -5.37921287     -1.07284535      2.98300842
  O      1.59694809      1.30258591      1.77564480
  H     -6.95002833      1.79417448      3.18309629
  H     -0.22734508      1.52733068      6.30005019
  O     -5.66353752      2.88767129      3.57512484
  H     -2.73647325      2.67755241      3.46470843
  H     -0.21035129      0.85316569      4.90702878
  O     -2.24314936      3.85858557      2.14826835
  H     -2.24351829      1.94145063      4.73403216
  H      0.95994833      0.09822464      3.16119627
  O     -4.80091567      4.98909085      1.82271064
  H     -3.47517172      3.48499840     -3.37662433
  H     -0.19639667     -0.90264237      3.32730406
  O     -6.26030846     -1.32026286      2.66618206
  H     -3.69963962      2.11511397     -2.69433446
  H     -2.71849452     -2.38748477     -0.51672450
  O     -0.54643721      1.61921273      5.40663232
  H     -6.37686091      0.06254192     -0.85321967
  H     -3.94923741     -2.88519356      0.29201299
  O      0.42834434     -0.35778046      3.82487575
  H     -5.94396333     -1.43273598     -0.74849303
  H      0.35490907      0.64351971      0.57516604
  O     -2.98572695     -2.85875237      0.28135589
  H     -6.34908252     -3.63067985      0.51972938
  H     -0.98760173      1.12845946     -0.03466523
  O     -0.42597827      0.34878780      0.09033911
  H     -6.04642802     -2.31492859      1.27692919
  H     -6.10673912      3.21291973     -0.40612925
  O     -5.53062333      3.96988914     -0.57854905
  H     -2.52860174      2.77872008     -1.03406125
  H     -4.92685574      3.70123573     -1.28069474
          69
 Energy    -250.97763104150039     
  O     12.41826819     11.60502105    -13.57931744
  H     13.24850701     12.07821386    -13.45546766
  H     13.34265005      7.08434770    -17.02181226
  O     15.12541204      6.44331306    -14.53265511
  H     12.41795056     11.29017785    -14.49455393
  H     16.91886399      6.58747002    -14.27891271
  O     18.30892557      9.06153871    -12.56933049
  H     14.97424777      7.39587392    -14.63029709
  H     18.18475316      7.23086345    -14.91306426
  O     18.70656806     10.84829352    -14.66588174
  H     14.65477078      6.19051981    -13.72901033
  H     17.16004422     11.72863212    -15.38325496
  O     11.69620127      7.84921173    -16.39842733
  H     18.13846675      8.27077575    -13.10482012
  H     15.89056368     12.44214107    -14.88135825
  O     15.90479630      7.33795544     -9.39175775
  H     18.48178165      8.75438279    -11.67066127
  H     15.46445252      9.11031898    -15.68178965
  O     13.73351502      6.14359780    -12.14527251
  H     18.62178949     10.27872408    -13.88423851
  H     14.09466741      9.59109130    -15.15614834
  O     15.76373904     10.13120772    -12.49844889
  H     19.56083327     11.27026245    -14.59931977
  H     11.83084408     10.39861614    -12.49644163
  O     16.05734093      8.80817958    -17.42779712
  H     11.69938552      7.66214769    -15.44176099
  H     10.73515534      9.95288767    -11.49817996
  O     15.64232923      4.75229593    -10.62028638
  H     10.87692411      7.50209950    -16.74168173
  H     18.34899656      6.22910848    -11.09174903
  O     18.53286942      8.40601155    -16.23186979
  H     15.75122074      6.42545286     -9.66671063
  H     18.07245720      5.82833483    -12.55370466
  O     14.23410125      6.76372937    -17.20451546
  H     15.18998696      7.85599478     -9.78460049
  H     11.58720609      8.19188788    -13.12933886
  O     17.84676912      6.80405300    -14.11209141
  H     13.83206773      7.01335947    -11.73096623
  H     12.31903651      6.84194484    -13.23561897
  O     16.35693482     12.17252153    -15.68184344
  H     14.28666786      5.54186824    -11.63179738
  H     17.55863396      7.74814063     -9.76223502
  O     14.92546402      9.18435577    -14.88281609
  H     15.45054782      9.79963919    -13.35669237
  H     19.00626276      7.94853590     -9.25494794
  O     11.53834442      9.66618405    -11.92443066
  H     16.66677519      9.80621542    -12.39934965
  H     15.37228401     11.67111121    -17.03157086
  O     18.04369775      5.50039295    -11.64413034
  H     15.63359042      9.61193801    -17.74920563
  H     14.84610989     11.96407158    -18.45782428
  O     11.74025788      7.44376480    -13.71917693
  H     15.42541924      8.07607342    -17.50726373
  H     13.10723594      9.03276500    -11.14536670
  O     18.48015843      7.88569205    -10.04741144
  H     16.50386237      4.94428683    -11.03262713
  H     14.61443409      9.21855605    -11.44729583
  O     14.80225619     11.33120494    -17.74616456
  H     15.69894911      3.86908021    -10.26599274
  H     15.27982419     13.33142279    -12.52935721
  O     13.98328463      8.67773532    -10.95099651
  H     17.73943763      8.50224099    -16.77835138
  H     15.34228093     11.81450014    -12.83006956
  O     15.04726621     12.67338398    -13.17981510
  H     18.68195966      9.27283166    -15.83916479
  H     12.30358247      9.59936856    -16.34150423
  O     12.70461837     10.43768306    -16.07513525
  H     14.55038526      6.40095327    -16.36594386
  H     13.30407853     10.73623282    -16.77126735
          69
 Energy    -250.97740367904112     
  O     18.01966497      7.87827908    -15.68350148
  H     17.20248458      7.35754893    -15.72179761
  H     18.25572961      4.24850147    -12.21083254
  O     19.55954599      5.54641687     -9.27749595
  H     18.70658655      7.32990587    -16.08165405
  H     17.03138758      9.44094384    -15.41638798
  O     15.17032737      9.33730088     -9.98541433
  H     20.20663860      5.39570354     -8.59405119
  H     15.50405843      9.64786731    -15.36108465
  O     19.76220792      5.92678452    -16.68111497
  H     19.21192820      6.44744690     -9.14166626
  H     17.27033647      6.99076713    -12.86592215
  O     13.19194816      8.64815491    -12.99354907
  H     16.07016172      9.39041159    -10.34136731
  H     18.19634654      7.72622723    -13.86197123
  O     17.07050078      4.14808577     -9.55278476
  H     14.66470025     10.02165313    -10.43644299
  H     13.62479804      8.58563491    -14.66516013
  O     14.21206557      6.91702895    -10.96220343
  H     20.03143223      5.38406845    -15.91807363
  H     13.16686454      8.80850700    -16.12682020
  O     19.66530196      5.40883451    -12.06539685
  H     20.48083089      5.89601441    -17.30668689
  H     15.56743853      8.38893094     -8.39464534
  O     14.75845794      5.28827292     -8.75317929
  H     13.39322519      7.97291963    -12.33415842
  H     15.54576407      6.90001533     -8.01175542
  O     15.84856547      5.88119961    -12.93187677
  H     13.39492463      9.49848836    -12.58547639
  H     17.71902978      3.14341661    -15.45738559
  O     20.30432622      4.31943887    -14.56726357
  H     17.91016624      4.58721104     -9.37091660
  H     17.99276905      1.65384131    -15.14218646
  O     17.45519621      3.70939532    -12.29985597
  H     17.13002298      3.82893964    -10.46240438
  H     17.66612770      7.90233343     -8.44305905
  O     16.34696380     10.07308157    -15.16113727
  H     14.55989017      7.75221632    -10.61669984
  H     18.35373460      8.63700229     -9.62097408
  O     18.07995404      7.51899652    -12.92596420
  H     14.25794648      6.29153967    -10.22782445
  H     17.85876641      8.86659607    -11.78266855
  O     13.92909398      8.60769109    -15.59055247
  H     19.76061042      5.44580223    -11.10519813
  H     17.41081821     10.34341892    -11.72550275
  O     15.96921272      7.74048088     -7.80083294
  H     19.21517533      6.22169807    -12.33793533
  H     15.65463252      6.15519274    -14.67854804
  O     18.04375400      2.53118324    -14.77284072
  H     14.28601573      4.67041190     -8.20204246
  H     14.98985540      7.08000438    -15.72984484
  O     18.49990177      7.98225270     -8.93044418
  H     15.58717682      4.84993683     -9.01877535
  H     18.11588525      4.89425859    -16.80494073
  O     17.66482485      9.59571156    -11.17355977
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  H     16.63689307      5.01008333    -16.37985864
  O     15.65558340      6.39104944    -15.61946670
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  H     13.53682326     11.96674841    -11.75794002
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  H     19.65707282      3.60491688    -14.60396949
  H     14.87819479     11.35573661    -12.22680095
  O     14.01935972     11.14643826    -11.82543708
  H     20.24269958      4.69007099    -13.67644752
  H     17.00943868     12.36576694    -13.16519428
  O     16.53590441     11.56869477    -12.94190943
  H     17.57104222      3.18464696    -13.10126262
  H     16.48518920     11.03456842    -13.75653800
          69
 Energy    -250.97661048529724     
  O     -6.31957296      2.20029687     -0.24109594
  H     -5.42155760      2.55881814     -0.18517785
  H     -2.08236336      1.13717564      2.86658037
  O     -3.82037886      1.79138270     -4.09372561
  H     -6.74851116      2.43713677      0.58976274
  H     -0.76615535      2.82381173      2.60613433
  O     -7.13720420      2.72581549      2.42270734
  H     -4.71753549      1.77608059     -3.71378519
  H     -0.30134997      3.22569446      1.19086957
  O     -2.46257814     -2.17989151      3.06807975
  H     -3.89119295      2.20809732     -4.94833236
  H     -3.50219463      3.79557899      0.67723843
  O     -3.55522448     -1.61470808      0.52905298
  H     -7.88189582      3.14822604      2.84190276
  H     -3.59658133      2.24970998      0.75011245
  O     -3.76643898     -1.03815177     -3.52240581
  H     -6.33535447      3.07000478      2.85772581
  H      0.18676938     -0.66474343      1.20242412
  O     -6.12824523     -0.61209951     -0.02306491
  H     -3.09143678     -1.76366382      3.67494406
  H      0.31106926      0.50272009      0.18974856
  O     -1.87618538     -0.72388533     -1.47926013
  H     -2.87393462     -2.17362429      2.19441957
  H      0.92984968      2.63563488     -0.97020195
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  H     -4.46065375     -1.37166315      0.29475586
  H     -0.57491473      2.29674366     -0.99829593
  O     -0.01467426     -1.09614833      3.04715765
  H     -2.99201342     -1.41154588     -0.23078449
  H     -6.77744508     -2.01479662     -3.21442237
  O     -4.29150103     -0.77358176      4.66775594
  H     -3.70955436     -0.13668056     -3.86145406
  H     -5.41402976     -1.31085506     -3.01286603
  O     -1.34419596      1.30993007      3.47328382
  H     -3.05237522     -1.11816498     -2.87577155
  H     -2.93935704      2.09269189      6.20276425
  O     -0.63592240      3.58367446      2.02207932
  H     -6.30454885     -0.97218356     -0.90124826
  H     -2.49874798      1.71003921      4.77169457
  O     -3.71362804      3.01124755      0.15836213
  H     -6.16401267      0.35045845     -0.11843032
  H     -6.57565665      0.95057485      2.68279239
  O      0.21238439     -0.45378857      0.26171606
  H     -2.00910363      0.22270804     -1.62171089
  H     -6.22438098     -0.30693522      1.84533525
  O      0.19877531      2.37074176     -0.41599183
  H     -1.08258048     -0.79496199     -0.92768522
  H     -3.33205304      0.00608326      1.34384181
  O     -6.34400735     -1.32300717     -2.72236368
  H     -2.63579864      2.05327331     -2.69867398
  H     -4.32002334      0.73951251      2.26215209
  O     -3.27259245      1.89164009      5.33143695
  H     -2.71889137      2.45486490     -1.19958328
  H     -2.78541417      5.90344982      2.01856679
  O     -6.08719541      0.11837111      2.70230862
  H      0.61090868     -1.66654781      3.48448969
  H     -2.07429862      4.52790515      2.04735219
  O     -3.48107860      0.84685639      1.79691874
  H     -0.87706475     -1.55339849      3.07001364
  H     -6.41967131      1.86887911     -2.08035821
  O     -2.94576636      4.96398687      2.01480133
  H     -4.00245105      0.07890981      5.01023487
  H     -6.45813386      0.59178126     -2.94649065
  O     -6.28036244      1.54003811     -2.97817061
  H     -5.04274012     -0.57761361      4.09114534
  H     -4.35469299      3.00142402      4.24050230
  O     -4.84533053      3.53281497      3.60170518
  H     -0.77764008      0.52936944      3.43793026
  H     -4.19549947      4.06067559      3.12220984
          69
 Energy    -250.97489226494412     
  O      1.36773849     -1.77082656     -8.57231698
  H      0.98369075     -0.88333078     -8.56619129
  H     -3.08939329     -3.13910671     -2.94867340
  O     -1.12716402     -0.40176026     -6.15197332
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  H     -1.41934540      0.34268256     -9.41264727
  O     -2.48724238      3.67356575     -6.75529609
  H     -1.67096285     -1.19557890     -6.20614856
  H     -2.72143177     -0.53492974     -9.37491870
  O     -3.80847248      1.98010732     -8.37202020
  H     -1.62504988      0.28745457     -5.69466025
  H     -6.29338843      0.08585592     -6.79947873
  O      0.64392065      2.26495951     -4.27018959
  H     -2.88500695      4.53837696     -6.80625513
  H     -4.92441378     -0.06816615     -6.09846004
  O      0.01672239      0.63903927     -8.37237244
  H     -2.96989871      3.10505756     -7.38227452
  H     -4.47052918     -1.17308411     -8.08915144
  O     -1.61452835     -1.39135384    -12.06170497
  H     -4.39244485      1.36623218     -7.90943435
  H     -3.36546254     -2.20286535     -7.79215744
  O     -0.21611611     -3.89016304     -7.54684070
  H     -3.31037376      1.45612098     -9.01103492
  H      2.47324751     -1.88684093     -7.18836648
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  H      3.88917565     -1.93791757     -6.57389352
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  H      1.94101167     -0.82518911     -5.23399036
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  H      0.43732241     -0.45098756     -5.27157357
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  H     -0.42360543      0.23469520     -7.60709528
  H     -3.65334996     -0.97611980     -4.19362166
  O     -2.24124137      0.13692890     -9.88213701
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  H     -1.82974059     -0.75726749    -11.35643142
  H     -3.46472011     -2.89736784     -9.94196973
  O     -3.81038732     -1.73309551     -8.51402916
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  H     -2.66564247     -2.77889529    -11.25629111
  O      2.96231488     -1.93327556     -6.34884681
  H     -0.47519501     -4.40097354     -8.32435893
  H      0.41130794     -1.69088380     -3.61361222
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  H      0.39766212     -3.18333731     -3.93614397
  O     -4.07908900     -0.19740873     -4.57083484
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  H      0.79718101     -4.20774754     -5.99273941
  O     -3.06442340     -3.41721751    -10.65154821
  H     -2.59703385     -2.94941774     -5.46219533
  H      2.03543647     -3.45862235     -5.50146735
  O     -0.05619154     -2.50785824     -3.41023872
  H     -1.68685369     -3.30756372     -6.70375362
  H     -1.80773394     -4.53190669    -10.19563223
  O      1.35406628     -4.07750099     -5.21365827
  H     -2.33161841      2.48120831     -5.35500143
  H     -1.16037855     -5.93505565    -10.29105128
  O     -1.01812593     -5.05225055     -9.96113438
  H     -1.22720595      1.99020122     -4.39535195
  H      0.53265120      2.86320629     -6.14575863
  O      0.29892234      3.05329325     -7.06178471
  H     -1.77641466     -2.53494195     -3.49669195
  H     -0.61499941      3.36438016     -7.03117122
          69
 Energy    -250.97392621854644     
  O     -4.41041560      0.42402147      0.98924727
  H     -4.94894293      1.21071409      1.01571383
  H     -0.90456463     -5.03815748      0.72627741
  O     -3.91858868     -1.80708409      5.91093919
  H     -4.28960854      0.13689384      1.91064886
  H      2.02576124     -0.07180981      3.42116556
  O     -1.11136788     -0.13456232      3.57746528
  H     -4.17929790     -2.72345479      5.76061759
  H      2.40306828     -1.44196427      2.83750861
  O     -3.83574548     -0.55677747      3.46823143
  H     -2.96312210     -1.82481725      6.05737516
  H     -1.20375818     -2.81333898      1.68484393
  O      1.70183453     -2.51301364      5.72921842
  H     -0.44486231      0.54147319      3.41467804
  H     -1.12069408     -1.45272495      0.90985596
  O     -4.33669313     -4.52737693      5.01531435
  H     -0.93844006     -0.83534415      2.92756123
  H     -2.99922546     -4.00524501      2.00953265
  O     -1.06408066     -1.93106293      5.70094974
  H     -4.02937220     -0.88115920      4.35964310
  H     -1.85080148     -4.48772293      2.91338919
  O      1.03588048     -5.05766799      4.55055520
  H     -2.89990783     -0.30808944      3.47750134
  H      2.16258070     -2.05798289      0.43513827
  O     -1.92949321     -0.21816791     -0.23714524
  H      1.97880863     -1.92194448      5.00643791
  H      1.02356417     -2.27119905      1.45057934
  O      2.13082544     -5.06620589      1.91633245
  H      2.35284421     -2.42336459      6.42043056
  H     -4.66539296     -3.68285047      3.34100663
  O     -0.12806327     -3.05953854     -1.64862635
  H     -3.37281456     -4.64656914      4.95704052
  H     -4.29145394     -2.27438239      2.83082586
  O     -0.15233052     -5.17927258      0.13572118
  H     -4.68523675     -5.31018012      5.43381464
  H      2.46559155     -1.34800084     -2.05308470
  O      2.41217880     -0.92372439      3.65372911
  H     -0.13366585     -2.12742721      5.86860990
  H      1.17718912     -1.96144986     -1.45341127
  O     -0.72949331     -1.97438714      1.62245344
  H     -1.06772908     -1.23907733      5.02417587
  H      0.95073160      1.23360182      1.77526580
  O     -2.09662956     -4.34687160      1.98837344
  H      1.42975829     -5.12088127      3.67183923
  H      1.34222139      2.33900256      2.78242871
  O      1.97690538     -2.39765819      1.31850270
  H      1.36385315     -4.23808662      4.94197783
  H     -0.26792267      0.59480767     -0.06995115
  O     -4.55831802     -3.15712207      2.53856708
  H     -2.19250238     -0.81548112     -0.94957529
  H      1.17109560      0.16145476     -0.38588951
  O      1.92258741     -1.35844730     -1.27020708
  H     -2.74284075      0.10097826      0.17298243
  H     -3.58098826     -2.33495065     -1.32479464
  O      1.05870855      1.43082241      2.72333206
  H      2.97723481     -5.43409486      1.67354139
  H     -3.26191097     -2.27180280     -2.83335231
  O      0.65735817      0.81152826      0.10798231
  H      2.16232207     -4.11993845      1.69511039
  H     -1.49489440     -3.58820429      5.04674680
  O     -2.86004261     -2.22512863     -1.96944923
  H     -1.05598574     -2.86415378     -1.81310534
  H     -0.72108989     -4.87704131      4.70209219
  O     -1.61090177     -4.49504338      4.72961790
  H     -0.11086270     -3.83994455     -1.07415493
  H     -4.84204948     -1.27303884      0.17372452
  O     -4.83133611     -2.20062033     -0.09362737
  H      0.61206880     -5.28977969      0.71193073
  H     -4.86995065     -2.69722884      0.73355246
          69
 Energy    -250.97349477547513     
  O     13.71445556      6.99611706     -9.08452567
  H     14.12568551      6.24274889     -9.52871391
  H     12.66639658      9.73987922    -14.46937332
  O     14.47806452      7.99996460    -16.69005595
  H     14.40906109      7.65646639     -8.98143148
  H     17.79728731      9.22782811    -13.26718045
  O     17.85179380      6.57428930    -14.98423878
  H     14.10250032      8.63926385    -16.06077917
  H     17.80234284      7.71096975    -13.60347348
  O     11.02365743      9.55543183    -13.67266333
  H     13.95436701      8.05751012    -17.48551958
  H     14.72833565      9.10632276    -12.00418034
  O     16.38625482      2.79441275    -11.51366100
  H     16.94817522      6.22823608    -15.03365036
  H     15.84632057      8.37897063    -12.79353887
  O     11.16545564      7.07811861    -12.60581614
  H     18.42642666      5.83897984    -14.73957067
  H     10.63088973      7.54027994     -9.13920591
  O     17.29051363      6.95036472    -10.53553853
  H     11.03413682      8.63478062    -13.35142051
  H     12.11893640      7.45373906     -9.54888429
  O     14.63483794     10.54472110    -10.88145046
  H     10.13482896      9.73485667    -13.96684491
  H     20.06999538      3.94730237    -14.13381837
  O     16.53604592      3.32821973    -14.17700660
  H     16.28003080      1.85865617    -11.36674162
  H     19.09076269      4.46553806    -13.05188307
  O     17.73443874     10.72945961    -14.39646657
  H     16.36429653      2.93335781    -12.47748441
  H     14.12361465      5.53700186    -12.08460213
  O     15.24241764     11.66478533    -13.34432396
  H     11.97842192      6.57835039    -12.75651597
  H     14.08259254      6.90142901    -12.78402485
  O     13.59055721      9.71566923    -14.75058511
  H     11.11450442      7.21641351    -11.65086387
  H     16.27064525      8.69443530    -16.58691038
  O     17.66534961      8.35018804    -12.88863530
  H     17.51306778      7.44759637    -11.33625815
  H     17.56772260      8.10693359    -16.01687510
  O     14.88901002      8.44244934    -12.68684865
  H     16.89578762      7.59194610     -9.93249038
  H     14.91136131      6.36810750    -15.76851062
  O     11.23701320      7.74012795     -9.84730481
  H     14.89763625     11.07598598    -11.64712417
  H     14.65428336      5.72231459    -14.38410690
  O     19.21741035      4.35531688    -14.01165341
  H     13.66491588     10.53518662    -10.84797736
  H     18.29556245      5.38912665    -10.97166758
  O     13.74701184      5.99200854    -12.84809118
  H     16.02160910      4.01049242    -14.62516201
  H     17.93450553      3.91714446    -11.27192376
  O     17.17651527      8.92590276    -16.35159492
  H     17.46221484      3.58715357    -14.26409675
  H     11.64501091      9.44394654    -10.54726088
  O     15.22107238      5.67900188    -15.16883753
  H     18.44870901     11.29875436    -14.67095511
  H     11.60073474     10.15310731    -11.91144153
  O     18.63184787      4.57760182    -11.37208353
  H     17.52180695     10.15988296    -15.15776482
  H     15.89079055      5.73672078    -10.62671438
  O     11.93337024     10.24084386    -11.01085387
  H     14.61571432     11.23207590    -13.93611868
  H     15.49598617      4.24709142    -10.80978641
  O     15.14397431      5.12070155    -10.60080591
  H     16.11536711     11.43747518    -13.68855601
  H     15.46393923      9.56065548     -9.66989287
  O     15.85431358      8.91743816     -9.05327646
  H     14.07582578      9.26046820    -14.04419217
  H     16.12309485      9.40967276     -8.28134994
          69
 Energy    -250.97188520377887     
  O     16.66166271     10.71321447    -10.55767986
  H     15.94797890     10.46833166    -11.16356273
  H     13.49767574      9.30283300     -6.50019993
  O     14.80467718      4.94139074     -7.45226323
  H     17.47914667     10.32175458    -10.89298253
  H     17.15482749      6.24561155    -13.76811810
  O     12.55658939      6.67863531     -7.83650175
  H     14.84440176      4.08080558     -7.04462543
  H     18.37169961      5.35578673    -14.11688049
  O     14.64821911      9.77505912    -12.19718015
  H     15.13619144      5.57994609     -6.79437242
  H     15.48328293      5.60155161     -9.05492641
  O     18.95861682      9.33726603    -11.22602013
  H     12.71968528      7.31625763     -7.13129637
  H     15.79365589      7.07475036     -9.41442954
  O     20.39489417     10.00812280     -8.88627881
  H     13.24064950      6.00467268     -7.74697248
  H     18.45579480      7.95208683    -13.92464585
  O     18.30739963      6.64868208    -10.82227870
  H     14.99436979      9.81404767    -13.09739835
  H     18.72101388      9.20346518    -13.07375862
  O     11.71883882      7.53109769    -10.26466497
  H     14.47422011      8.84034426    -12.01543830
  H     17.84190464     11.39502348     -7.32323547
  O     16.37704691     11.90098242     -8.07387116
  H     18.71453043      8.41505600    -11.05421785
  H     18.88223970     11.62719166     -6.20374877
  O     12.61796958     10.26201943    -10.22687869
  H     19.53399274      9.61660621    -10.50454800
  H     15.89610408     10.02453812    -15.52444746
  O     13.99890081     10.30604602     -7.84999099
  H     21.24992978     10.42260425     -8.79481893
  H     16.83093263      9.39468157    -14.46446674
  O     13.30446752      8.60718006     -5.84811944
  H     19.81545874     10.41525238     -8.22364457
  H     16.31648047      9.35995034     -9.37296060
  O     18.09692004      6.08947453    -13.57371104
  H     17.44137048      6.40280826    -10.46744354
  H     16.64645398      8.57943653     -8.04980642
  O     15.77302938      6.17216214     -9.77583048
  H     18.31773296      6.36205603    -11.74424874
  H     16.37977437      7.37200994     -5.91861683
  O     18.43512888      8.91690951    -13.95116908
  H     11.99785961      7.21728600     -9.38583352
  H     14.85646664      7.50353972     -5.65587867
  O     18.66709636     11.05232457     -6.93368966
  H     10.81730475      7.24469856    -10.38473107
  H     14.64362483      6.66330193    -11.09322931
  O     15.89787079      9.53904113    -14.70413806
  H     16.49319750     11.68255905     -9.01082531
  H     13.19268538      7.15962961    -11.32657774
  O     16.01322623      8.66362929     -8.77521913
  H     15.50591979     11.55696467     -7.84357051
  H     20.05038295      8.09645948     -8.58515285
  O     15.58004966      6.86777321     -5.71907777
  H     12.21574698      9.38448104    -10.24824582
  H     19.26451545      6.91889640     -9.19974779
  O     14.05562131      7.06531542    -11.74848493
  H     13.24115458     10.27743409    -10.96391286
  H     18.10246404      9.25444183     -6.58118049
  O     19.62438369      7.25835064     -8.36972651
  H     14.67293629      9.66945449     -8.13478556
  H     18.44904688      7.85385176     -7.16537431
  O     17.78510381      8.34788523     -6.65802729
  H     13.42362592     10.42783471     -8.61938864
  H     15.53938060      7.65378970    -14.43928556
  O     15.52192344      6.74755414    -14.10858947
  H     12.77232386      9.00866096     -5.16626123
  H     14.92274933      6.75446126    -13.34944730
          69
 Energy    -250.97175461616530     
  O     12.01551445     12.15148673    -11.94386667
  H     11.20789448     12.57096640    -11.65960768
  H     17.46998543     13.13934838    -17.27114815
  O     20.31746744      8.45507051    -11.24863242
  H     11.84348089     11.19194417    -11.95579466
  H     13.42602427      8.03038028    -14.34172473
  O     17.44730954     11.58971203    -12.48730133
  H     20.44608057      8.70849132    -12.18099252
  H     12.58119618      9.02805556    -15.15082288
  O     14.15145095      9.12646195    -10.72634014
  H     21.18537411      8.39272438    -10.85898435
  H     15.10214533      9.56971972    -13.53952182
  O     16.32493924      7.52507338    -11.45288020
  H     17.26529770     12.51955995    -12.31021663
  H     14.50547538     11.01624688    -13.54183557
  O     18.71270314      6.30189749    -12.30103473
  H     16.59351949     11.17720476    -12.70251700
  H     13.83452343     10.33126853    -16.65184254
  O     13.41582694     12.25002122    -14.36654845
  H     14.40524561      9.61220293    -11.52765888
  H     12.40594554     10.43364256    -17.23687402
  O     17.39560365      8.47577901    -15.73718384
  H     14.56488555      9.60352386     -9.99767400
  H     16.57690921     10.38359381     -9.52436881
  O     17.91353847      9.71582699    -10.56179141
  H     15.45890141      7.79280360    -11.11989169
  H     15.97258174     10.79288626     -8.16406727
  O     15.53822393     10.23752602    -16.96947938
  H     16.91293013      8.24904000    -11.19551080
  H     20.26023726      8.18955807    -14.35218743
  O     19.32373749      6.60157581    -14.93406090
  H     19.30576132      6.90845155    -11.84074213
  H     20.01049520      9.70951050    -14.27552742
  O     17.21698590     12.52104207    -16.59115209
  H     17.82472878      6.52102147    -11.99003671
  H     14.83970299     13.33077495    -14.67816238
  O     12.53624384      8.39821389    -14.42204820
  H     12.79991780     12.26958074    -13.62271266
  H     15.96197326     14.02108879    -13.87772663
  O     15.07771349     10.40795483    -13.05931471
  H     13.06666720     11.67301187    -15.05873237
  H     16.66591533     14.96560236    -11.58512457
  O     12.89333768     10.42627106    -16.41746900
  H     17.81985831      9.28249791    -15.41054444
  H     15.70126287     13.75667435    -11.52836503
  O     15.78147185     10.74249755     -9.09761455
  H     18.03271398      7.76336547    -15.60310203
  H     14.85509269     12.14913583    -10.10549880
  O     20.53641189      8.99339769    -13.89499066
  H     18.78487511      9.31459449    -10.66790070
  H     13.66933568     12.57548627    -11.01952985
  O     15.68802992     13.78762593    -14.77162503
  H     17.83965093     10.40751234    -11.23807395
  H     18.28498280     11.12186083    -14.00608707
  O     16.42908314     14.15999860    -12.03591981
  H     16.07335490     11.03899182    -16.91759804
  H     18.28858475     11.43925971    -15.51858707
  O     14.50405791     12.87216485    -10.63775196
  H     16.11883977      9.51693243    -16.69649369
  H     11.88389306      9.06604404    -12.86556550
  O     18.64030501     10.82968857    -14.85803821
  H     19.67568739      5.79203100    -15.29390641
  H     12.40004045      9.19749944    -11.41746042
  O     11.69596405      9.48584511    -12.01258689
  H     19.06920570      6.41279927    -14.01297903
  H     15.68449759      7.58299172    -13.21992395
  O     15.28657473      7.82747685    -14.06553651
  H     16.68298586     13.01687960    -15.94370432
  H     16.01000503      7.96800950    -14.69159149
          69
 Energy    -250.97062897359126     
  O     14.89942929     12.58251176    -14.65715410
  H     15.84787085     12.48475374    -14.52291566
  H     18.07048659      4.85906943    -15.84762587
  O     14.30996608      6.95248053    -13.64634328
  H     14.66787504     12.03011784    -15.41791837
  H     16.46193199      9.20104856    -15.08736483
  O     17.95052698      7.86199090    -11.76658611
  H     15.01124292      6.38784779    -13.29942529
  H     15.00110171      9.66119657    -15.21928092
  O     18.05680815      9.83338247    -15.81104695
  H     14.75331822      7.72466958    -14.03291757
  H     13.74141094     12.41599967    -13.38387953
  O     11.86575513      9.19483244    -16.30731191
  H     17.89861098      7.68823122    -10.81853426
  H     12.61594101     13.09879788    -12.57315704
  O     15.03026749      8.73012031     -8.78496521
  H     17.47734209      8.69322264    -11.91468037
  H     15.90393673      5.26475088    -11.06316122
  O     12.75750546      8.13530713    -11.72522956
  H     18.05811058     10.64239228    -15.28597188
  H     16.27609924      5.91613961     -9.71958398
  O     16.48587546     10.16325311    -12.30161663
  H     18.57510580      9.16830017    -15.33171624
  H     12.16644085     10.73986702    -13.39307080
  O     15.81628277      6.47537401    -17.40760858
  H     10.99783097      9.31092974    -16.68454334
  H     11.96824303      9.26236493    -12.99703818
  O     13.27023357      6.56090177     -9.45169357
  H     11.79681174      9.43828441    -15.36583776
  H     18.67907748      7.00905283    -14.73172665
  O     13.39004517      6.78714471    -16.26712258
  H     14.75931010      9.44793171     -9.37132716
  H     18.87948234      7.79774992    -13.41995925
  O     17.59446518      5.58139017    -15.44284487
  H     14.35603294      8.04538280     -8.88051527
  H     17.07579639      6.40781253    -12.44015762
  O     15.59374851      9.13405558    -14.66860620
  H     12.77603921      7.57773530    -10.93854792
  H     16.93400238      5.47692247    -13.66969655
  O     13.07270490     12.27006318    -12.69087676
  H     13.27537397      7.67165857    -12.40152568
  H     17.85177070      7.38116633     -8.24864115
  O     15.60903866      5.36590009    -10.14924981
  H     15.74342586     10.30220211    -11.70043286
  H     16.57156723      7.92200725     -8.92968051
  O     11.80127292      9.90214540    -13.70103270
  H     16.10516582      9.80786513    -13.12072956
  H     16.13689225      8.36675801    -17.77743380
  O     19.11739106      7.78205244    -14.35596518
  H     15.69159306      6.03988748    -18.24780261
  H     17.00246285      9.55902922    -17.33625807
  O     16.59491023      5.63802558    -12.78138583
  H     14.92866147      6.58444014    -17.02059332
  H     13.76113464     11.14378085    -11.37229426
  O     17.36206053      7.36896279     -9.06646602
  H     14.05989862      6.06022712     -9.72531925
  H     13.65144975      9.61576053    -11.16192735
  O     16.25185422      9.31621749    -17.89732315
  H     12.75081941      5.97792052     -8.90472544
  H     17.33185615     11.42303457    -13.26982124
  O     14.13243126     10.40617630    -10.87221964
  H     13.57324522      6.69677557    -15.32144469
  H     18.28560053     12.60168088    -13.57268872
  O     17.66631845     11.99938146    -13.97778338
  H     12.82286096      7.56242429    -16.35420799
  H     13.40163292     10.21331545    -16.64078332
  O     14.24643156     10.67409480    -16.57308284
  H     16.97817103      5.91448293    -16.11361092
  H     14.87785708     10.25053913    -17.17509516
          69
 Energy    -250.97013929150751     
  O     -2.83222311      1.13030196      3.62983781
  H     -2.96512624      1.07475207      4.58709951
  H     -4.63245459     -2.24013124      4.80430019
  O     -2.07763381      3.54243592      6.94619876
  H     -2.83065793      0.23236477      3.27358324
  H     -2.58466421     -3.65625072      8.31409056
  O      0.95953727     -1.73897319      1.37850085
  H     -1.86007835      3.92786343      6.07870306
  H     -2.36699499     -3.39286790      6.80477099
  O      2.24454611      0.49750670      2.53990448
  H     -2.33659248      4.26600769      7.51053541
  H     -0.31125051     -0.80703546      6.87061772
  O     -1.36723393     -0.35408730      0.34634876
  H      1.55038959     -1.03851258      1.68493914
  H     -1.47861955     -1.41293352      7.69031738
  O     -2.59013823     -1.42144781      2.58964708
  H      0.25929975     -1.28762187      0.89281462
  H     -1.51558427     -3.67651712      4.62840260
  O     -2.68909366      3.41753643      2.17813939
  H      2.39355317      1.31343046      2.04710703
  H     -3.05428571     -3.75066164      4.70390455
  O     -1.42156487      4.51477438      4.51345035
  H      1.38761485      0.62345232      2.97778453
  H     -0.46521579      2.57142418      7.42898306
  O      1.14899857      3.67802610      4.00951566
  H     -1.78564314     -0.65887666     -0.45617262
  H     -0.10456425      1.11769399      7.76688633
  O      2.03958624      3.03157446      1.36546986
  H     -1.87460594     -0.73330877      1.08227219
  H     -4.17033678     -0.50039077      6.36059396
  O     -0.32790406     -2.63015996      3.64885481
  H     -1.80167570     -1.82277275      2.98523848
  H     -3.95381588     -1.92617755      6.89935988
  O     -4.58334533     -2.76097442      3.98181151
  H     -3.35273681     -1.89594955      2.94440501
  H     -0.98712251      1.18025348      3.81469303
  O     -2.52790828     -2.96182842      7.66337208
  H     -2.83583953      2.60003908      2.68643742
  H      0.28457317      2.03624868      4.08714345
  O     -1.01059860     -0.58989288      7.50519494
  H     -3.54219891      3.70041364      1.85833755
  H      1.79512878      2.26066013      6.62808373
  O     -2.24803682     -4.00284747      5.16894220
  H     -1.87302676      4.27811013      3.69638975
  H      2.91290263      1.59520799      5.77989237
  O      0.28051867      1.98755394      7.61049663
  H     -0.47826266      4.36595408      4.34994353
  H      3.16949512      0.08408952      4.04708927
  O     -4.52068694     -1.39969099      6.32134436
  H      1.57807516      3.57068469      3.15380807
  H      4.36432474     -0.44773310      4.87141261
  O     -0.04033685      1.13227531      3.98046745
  H      1.74334032      3.34697295      4.70298563
  H     -1.22932871      2.80199158      1.13925713
  O      2.50818022      2.44081288      5.99559149
  H      2.42461998      3.57948371      0.68746353
  H     -0.77119942      1.44929493      0.55202504
  O      3.47463039     -0.11311773      4.94861417
  H      1.13272411      2.81899958      1.07588222
  H     -2.30386393      0.43597682      6.75088056
  O     -0.49681182      2.36396285      0.68866959
  H      0.18415694     -2.48361761      2.84027717
  H     -2.81868662      1.89040776      6.62208422
  O     -3.00983239      0.97823380      6.36846379
  H      0.10922208     -2.12503992      4.34786458
  H      0.48212732     -0.15952371      5.06791423
  O      0.84932279     -0.93866644      5.51806320
  H     -5.44655452     -3.14069535      3.84380936
  H      1.80609328     -0.82446079      5.49931506
          69
 Energy    -250.97001510435064     
  O     10.87333072      8.82551956    -11.59663595
  H     11.36312124      9.51837781    -12.05757645
  H     17.51793200      5.17643899    -10.03251588
  O     16.75737526      9.60441638    -10.55571423
  H     10.82071099      8.07409115    -12.20182883
  H     15.76435400      6.61940776    -10.28274855
  O     15.49095661      5.74129236    -14.73309182
  H     15.80845262      9.81274780    -10.48357961
  H     16.81322098      7.75826493    -10.35286441
  O     16.86125813      2.21543093    -12.88402083
  H     17.22493906     10.27582893    -10.06617000
  H     13.67766939      3.24496674    -14.42418567
  O     16.89973002      9.15021294    -13.38239700
  H     15.22547228      4.83738627    -14.51748240
  H     14.20530810      3.48710732    -12.98249454
  O     14.36931389      9.52120600    -14.35839954
  H     16.28600751      5.94417782    -14.22017549
  H     14.03640294      8.04485313    -13.27985550
  O     14.10836243     10.11209266    -10.41412395
  H     16.55545645      2.09347252    -11.97654670
  H     14.40902361      6.57687889    -13.53724214
  O     12.02102317      3.41104634    -15.27332729
  H     16.08124617      2.49072864    -13.38344491
  H     11.65499433      8.44666110    -10.09039138
  O     15.93070649      2.35043690    -10.16812188
  H     16.91812275      9.39204557    -12.44803364
  H     11.64582204      8.35765870     -8.54517656
  O     12.60380121     10.78734496    -12.75211030
  H     17.25664349      8.25461442    -13.42287857
  H     13.11564903      7.07661671    -16.25968799
  O     18.93861211      3.95622475    -12.68531648
  H     14.22461448      8.94300425    -15.12163776
  H     14.59171144      6.89756360    -15.88320311
  O     17.84452918      4.26620941    -10.04099314
  H     15.30642636      9.47644556    -14.11189746
  H     17.24242340      6.51463893    -12.14210631
  O     16.70851657      6.79956533    -10.39360519
  H     13.61262360     10.43077149    -11.17783907
  H     18.15511974      5.61426628    -13.00508140
  O     14.48095079      3.31096174    -13.89478484
  H     13.51121981      9.52644458     -9.93384033
  H     10.69768881      6.43011210    -16.45507908
  O     13.89575810      7.14900825    -12.95136014
  H     11.65430237      2.81438572    -15.92190012
  H     11.26878222      6.33624230    -15.02154290
  O     12.21072328      8.27473794     -9.30835417
  H     11.84269706      4.31003781    -15.59025752
  H     13.36053863      6.91781758     -9.86672944
  O     13.96168072      7.53551540    -16.24977628
  H     16.03195814      1.73017141     -9.45128407
  H     13.95839492      6.68743894    -11.27658582
  O     17.57667959      6.38611756    -13.04128044
  H     16.60749854      3.03991761    -10.04113549
  H     12.15673900      6.80831860    -13.15348542
  O     11.42107165      6.07202227    -15.94581496
  H     12.39123775     11.66168152    -13.06825229
  H     11.08428198      5.70850525    -12.91542898
  O     13.97041034      6.35910305    -10.36193338
  H     13.22147859     10.39964457    -13.39688603
  H     11.39213952      3.59691348    -13.39396091
  O     11.21821663      6.59780801    -13.27614332
  H     18.22879538      3.30542214    -12.83255621
  H     11.98334339      3.77713120    -11.98052212
  O     11.20106120      3.95580781    -12.51976371
  H     19.74480924      3.56226561    -13.00688728
  H     13.78817320      4.62179570    -10.85783552
  O     13.72816693      3.73444378    -11.23903869
  H     18.36443000      4.17878237    -10.84915329
  H     14.40259865      3.19858344    -10.80285842
          69
 Energy    -250.96816782655549     
  O     12.40188592     11.13799316    -14.01507089
  H     12.96583796     10.98110523    -13.24465972
  H     16.22819193      5.69184965    -15.09999133
  O     14.70083778      6.24976671    -17.59128118
  H     12.97581212     11.03816550    -14.78409427
  H     14.44774998      7.57188148    -10.12021730
  O     13.66991806      5.61624227    -12.40813996
  H     14.18004860      5.52645028    -17.22615463
  H     14.64425837      6.43606347    -11.14246844
  O     17.63411373      5.76032748    -10.66171855
  H     14.11506708      7.02031866    -17.62901586
  H     13.52782412      8.68666402    -13.16370387
  O     13.53649821      4.01734471    -16.11331861
  H     13.62224853      6.43293404    -12.93178035
  H     14.38688131      8.15351382    -14.32186183
  O     10.14643134      9.69460009    -13.59776968
  H     12.75907540      5.33886209    -12.25664794
  H     14.98488308     10.10799306    -15.70567243
  O     13.02996280      8.46441827    -17.44372791
  H     18.19548181      6.48107596    -10.97303341
  H     14.78804643     11.34509038    -16.60822208
  O     19.08537215      7.83697294    -12.03040898
  H     16.77654796      6.15684284    -10.45928904
  H     10.30397741      4.54199289    -11.95920759
  O     11.28861685      7.78631904    -15.32996755
  H     14.22538646      4.04508479    -15.43006280
  H     10.92524181      5.09982286    -13.26310263
  O     17.74411125      3.86118552    -12.59965219
  H     13.62476572      3.17374337    -16.55216182
  H     10.64461765      8.51752867    -12.18670139
  O     18.88401005      6.06549514    -14.07044712
  H      9.37789838     10.25752982    -13.63337068
  H     10.88412548      7.03697806    -11.78357661
  O     16.61668168      6.35563465    -15.68472973
  H     10.91890684     10.26446181    -13.76708588
  H     14.80803818      4.72936027    -13.44884918
  O     15.12321134      7.03276260    -10.54831575
  H     13.41924477      9.27229442    -17.09077139
  H     16.19956299      4.05363940    -13.60358008
  O     13.59858391      7.96325156    -13.79872325
  H     12.29574925      8.25030985    -16.85371766
  H     11.08894554      5.97197132    -15.22638901
  O     14.31384184     10.68346361    -16.10983941
  H     19.98076314      8.15115400    -11.94109917
  H     11.90465037      4.66604415    -15.39483029
  O     10.90766752      5.19948238    -12.29305123
  H     19.06802283      7.25102994    -12.80905554
  H     12.56535458      8.95619968     -8.95537082
  O     10.98748462      7.94898221    -11.48659323
  H     10.70672143      8.40626603    -14.87649874
  H     12.20863787      8.39419361    -10.35384322
  O     15.42018727      4.34359798    -14.09341254
  H     12.12198283      7.81547144    -14.83413709
  H     16.31134763      8.04889179    -15.21307046
  O     11.12633550      5.04033138    -14.96571879
  H     17.68278583      4.48355183    -11.85265700
  H     16.26124605      8.95310107    -13.94053445
  O     12.94640601      8.68409871     -9.78565100
  H     18.18332270      3.08086776    -12.27212942
  H     14.92815384      9.93324072    -11.98248719
  O     16.00077152      8.89935412    -14.86998845
  H     18.23419511      6.22358618    -14.76863562
  H     13.63686086      9.77579644    -11.13546493
  O     13.98497357     10.14173630    -11.95854046
  H     18.62532770      5.23226944    -13.65844848
  H     17.45198129      8.69803460    -12.05772024
  O     16.51496181      8.92386479    -12.11401025
  H     16.06247580      6.35723674    -16.48104299
  H     16.04565658      8.24555264    -11.60703940
          69
 Energy    -250.96813424684314     
  O     12.04103988      9.91771978    -16.00118846
  H     11.72972911      9.58853845    -15.14880875
  H     16.14403512     10.45159268    -17.54932279
  O     16.38478548      6.33421195    -13.29256090
  H     12.57187925     10.70419725    -15.82733538
  H     16.45812852      9.08302285    -14.96813654
  O     17.24983949     10.60276905    -12.28013324
  H     15.63346910      6.40437779    -12.68609411
  H     15.88678211      7.79938472    -14.28535551
  O     13.70472968      5.56203079    -15.96176873
  H     17.12195827      6.83205886    -12.91366901
  H     11.50961675      7.78443946    -13.65558811
  O     14.53488899      9.48314991     -9.24396468
  H     16.33714856     10.73408264    -12.57682014
  H     10.18014800      8.55598643    -13.48821010
  O     14.26145165      6.73994960    -11.60652021
  H     17.24247807     10.71354831    -11.32137916
  H     18.15525876      7.78255002    -10.57994984
  O     14.69539190     10.73716403    -13.34806423
  H     14.62575073      5.28109422    -15.94804221
  H     17.67251595      8.79561872     -9.52657330
  O     15.40754418      6.75031559     -9.05036463
  H     13.69909845      6.41254472    -16.42200866
  H     12.77228873      5.94475936    -14.45523081
  O     17.96759798      7.16553533    -16.79771293
  H     14.70720346      8.55267395     -9.05443181
  H     12.96273880      6.21166440    -12.93808580
  O     16.52528385      4.99833332    -15.66102868
  H     13.91840028      9.49458030     -9.98821225
  H     17.81954149     10.61311262    -14.06527016
  O     19.67792881      8.16301247    -14.97157722
  H     14.58939211      6.61350668    -10.70754863
  H     18.64680748      9.72589262    -15.03583703
  O     16.12702850     11.21257462    -16.95799855
  H     13.87712680      7.62762729    -11.63586644
  H     18.95420997      8.02349310    -13.23132658
  O     15.64608968      8.60444459    -14.75879949
  H     14.92711717      9.92705300    -13.83097579
  H     17.98743196      8.90687234    -12.39676976
  O     11.12343323      8.67561286    -13.56310653
  H     14.38497992     11.35903059    -14.01692084
  H     16.07982087     10.27230323     -9.38592556
  O     17.81299939      7.85252730     -9.67988108
  H     15.48457156      6.15012685     -8.31389719
  H     17.13868066     11.23958142     -8.80295148
  O     12.32652553      6.26959315    -13.65954508
  H     16.30652334      7.06453946     -9.25491631
  H     15.30430589      8.48903066    -17.97946869
  O     17.91839591     10.35748007    -14.99238091
  H     17.39926201      7.68236073    -17.38079110
  H     16.02091748      8.59783683    -19.34563777
  O     18.39740049      8.03045196    -12.44298868
  H     17.45693778      6.39490197    -16.51840658
  H     13.63946780      9.89823418    -12.17728883
  O     16.99320537     10.59589863     -9.49089015
  H     16.80888917      4.09293518    -15.55888045
  H     12.30378326      9.13264271    -12.18893763
  O     16.15091141      8.70986134    -18.40722304
  H     16.49056150      5.38346861    -14.76778777
  H     14.67621265     11.80396966    -16.16549163
  O     13.08731148      9.30170074    -11.65092962
  H     19.10572921      7.76088837    -15.65129111
  H     13.72334196     12.99636143    -15.92190016
  O     13.90877248     12.10294124    -15.64533095
  H     20.57758983      8.05066607    -15.26593592
  H     13.19259508      8.75546383    -16.73378883
  O     13.96343067      8.19481713    -16.89910560
  H     16.83838247     11.06032087    -16.32043869
  H     14.53754523      8.30601929    -16.12477882
          69
 Energy    -250.96761912993924     
  O      2.76246935     -2.64287008     -2.93466702
  H      3.49772842     -2.66445838     -2.29379874
  H      3.86730534     -1.95360923      3.09181150
  O     -1.15095082     -0.55526059      2.42305348
  H      3.14918424     -2.47861788     -3.79032362
  H      0.14023580     -7.80246757     -1.43144569
  O     -1.29288124     -4.21105283     -0.86742679
  H     -1.28013682     -0.87868578      1.51244764
  H      0.42955762     -6.51997486     -2.25795092
  O      2.08240121     -4.77842812      3.90367379
  H     -1.94681062     -0.08863214      2.66324319
  H      3.63096507     -5.12456696      0.50503927
  O      4.61276924     -0.19565000      0.25638490
  H     -1.88788060     -4.86393892     -1.25669405
  H      2.25638768     -5.79003827      0.86843618
  O     -2.26817814     -7.52091528      0.74596389
  H     -0.42810817     -4.34511742     -1.27957982
  H     -1.19311959     -4.77994186      0.85341864
  O      1.15113059     -6.66445577      1.97750586
  H      1.83026227     -5.55265554      3.38588671
  H     -0.90256139     -4.40139413      2.32794267
  O     -1.36652134     -1.48538982     -0.11787146
  H      1.35437784     -4.14842236      3.81498074
  H     -0.44859970     -2.18354698      3.09330287
  O      2.24654283      1.32622761     -0.31523411
  H      4.34093594     -0.50036400      1.13281457
  H      0.62382276     -2.93746020      2.29929409
  O      1.14221844     -1.06107074     -1.26159763
  H      3.92576911      0.42107694     -0.02142939
  H      4.96697183     -3.72997049      4.53310930
  O      1.73409555     -2.72074620      0.92877475
  H     -2.58216640     -7.20527927     -0.11082454
  H      3.65515707     -4.09533954      3.79872355
  O      3.41202916     -1.28562047      2.57099295
  H     -2.03997829     -6.72786657      1.25033092
  H     -0.75077370     -8.37032065      0.49543688
  O     -0.10906075     -7.32252270     -2.23021929
  H      0.33873434     -6.13614349      1.93298564
  H      0.10583203     -9.65321008      0.37764090
  O      2.71993457     -5.24774756      0.21465572
  H      0.95698843     -7.47824046      1.49681479
  H     -1.78058634     -6.82218882     -2.10286634
  O     -1.15085931     -5.13621851      1.75288827
  H     -1.49991891     -2.41035312     -0.35991434
  H     -3.23052352     -6.65711777     -2.62358939
  O      0.04410569     -3.01148341      3.07554797
  H     -0.57877317     -1.21449731     -0.60909087
  H      6.11163751     -4.88724322      1.14294671
  O      4.53144065     -3.68218685      3.68625585
  H      1.92260735      1.17930425      0.59277396
  H      5.05781818     -4.16465727      2.00909680
  O      0.14762403     -8.70252347      0.31423109
  H      2.14749171      2.25662787     -0.49623105
  H      2.08395146      0.08108184      2.52213559
  O     -2.66038230     -6.46263639     -1.88514473
  H      1.67335311     -1.49820460     -1.93810550
  H      0.55681561      0.28996775      2.32927415
  O      5.25347042     -4.47053448      1.10948542
  H      1.55443500     -0.21225391     -1.05191522
  H      1.66809989     -4.12198134     -2.48062259
  O      1.41992366      0.69478584      2.18129693
  H      1.50187424     -2.17905195      0.16438374
  H      1.78226744     -5.06040569     -1.26419576
  O      1.21060656     -4.82964139     -2.01285031
  H      2.08984496     -3.55982330      0.61364503
  H      4.95866008     -3.22018527     -0.39746107
  O      4.72180630     -2.59470567     -1.08756013
  H      2.84145467     -1.78107829      1.96104597
  H      4.74740366     -1.71849951     -0.67209898
          69
 Energy    -250.96523139827283     
  O     12.76193672      6.62792664    -10.36580582
  H     12.05730620      6.30312265     -9.81226509
  H     15.42014227     11.76533901    -13.40402165
  O     13.52472205     11.05121838    -10.79117877
  H     13.14071147      7.40479801     -9.91263595
  H     15.47958517      6.89313115    -12.29545415
  O     15.96082444     12.29414828    -11.71763365
  H     13.03136084     10.95172888    -11.61436390
  H     14.45774881      7.98848838    -12.62016141
  O     12.15494932      8.14492061    -17.03114780
  H     14.33882420     11.51150630    -11.02753213
  H     14.22144528      5.62831713    -11.02586143
  O     17.39578590      5.59759729    -10.17053293
  H     16.22543570     13.15097497    -11.39335679
  H     15.73473744      5.22481044    -10.91614890
  O     13.38975456      6.39409894    -15.19289782
  H     16.67337076     11.67383127    -11.48167778
  H     18.79949267      7.19212409    -12.69237454
  O     12.55327111     10.50456552    -13.40841410
  H     12.46868718      7.43520017    -16.45560394
  H     18.04885873      5.99463707    -13.32922027
  O     13.92828054     11.31081624    -16.74645115
  H     12.91005852      8.39573324    -17.57742624
  H     14.46624916      3.20763647    -13.96385804
  O     17.06198589      5.48880779    -14.76053572
  H     17.84899885      5.82152798    -11.00648993
  H     14.72056583      4.44114496    -13.06541852
  O     16.74780408      9.07313409    -14.45816817
  H     18.00004213      5.06436986     -9.66219428
  H     18.42513951     10.04926792    -11.75499625
  O     15.71041054      7.41793406    -16.39703192
  H     13.71565227      5.54443082    -14.87407401
  H     17.51424163      9.78364253    -10.54144676
  O     15.12015807     11.30409788    -14.19749519
  H     13.07918785      6.87864259    -14.41296364
  H     18.36492835      9.09469630    -13.74803058
  O     15.39618837      7.84175116    -12.44736717
  H     12.00294462     10.55527572    -14.20001550
  H     19.90273883      9.26034366    -13.74902203
  O     14.95294197      5.19205105    -11.48337268
  H     13.44542240     10.76367260    -13.68316678
  H     16.12712602      8.28430037    -10.82483887
  O     18.47578654      6.30254859    -12.51582754
  H     14.39928432     11.44703510    -15.91360368
  H     16.92322709      7.42991720     -9.82484771
  O     14.63072214      4.14684438    -13.98813414
  H     13.00159171     11.18552306    -16.50795721
  H     14.39217956      9.96697590    -17.76046629
  O     17.88135467     10.48916792    -11.09146364
  H     16.30471085      4.92363846    -14.56885646
  H     14.71606811      9.41887790    -19.17088908
  O     19.16257102      9.02481743    -13.19507289
  H     16.75465615      6.11129133    -15.43058930
  H     14.83296752      8.67311110     -9.27457566
  O     16.55660735      8.31167701     -9.95488383
  H     16.32952403      8.63749490    -13.69753778
  H     13.69313748      9.61669269     -9.71945481
  O     14.54937529      9.15220228    -18.27105897
  H     16.47465924      8.56412603    -15.23240490
  H     11.53078383      9.60631469    -16.29612945
  O     13.87451647      8.78541967     -9.25532509
  H     14.90514763      7.08322614    -15.97517879
  H     10.44096114     10.70383244    -16.25654315
  O     11.30159348     10.47391385    -15.91712786
  H     15.41977988      7.96274069    -17.13873205
  H     12.49857462      8.75115008    -12.99668001
  O     12.66126149      7.79855261    -12.94359622
  H     15.73175392     10.56692607    -14.33430592
  H     12.50497659      7.48440946    -12.04507328
          69
 Energy    -250.96455661208785     
  O     11.83159019      7.69869993    -15.19283390
  H     12.60969620      7.35350358    -15.65304929
  H     17.74696979      6.74569998    -14.06633239
  O     17.17988217      7.83553629    -12.69735178
  H     11.77147206      8.62936150    -15.43600167
  H     14.72089964      9.84080911    -17.68458291
  O     15.51099655     11.99937915    -12.71101061
  H     17.50368248      8.72518973    -12.51042091
  H     14.92679069     11.03767193    -16.74338140
  O     16.15982910     11.27418686    -15.32649198
  H     16.56083021      7.59599460    -11.99341774
  H     14.91704252      8.12279521    -15.07267638
  O     15.43960048      4.73121647    -14.99391487
  H     15.49219567     12.21355848    -11.76670763
  H     15.92304162      8.37851617    -13.90441972
  O     13.67492236     10.20644914     -8.98620162
  H     14.68667991     11.52805485    -12.89687421
  H     10.83947145      6.24698931    -12.60079197
  O     15.23919678      7.26414029    -10.82782522
  H     15.89521363     10.35832623    -15.13663451
  H     11.68594506      7.08549277    -13.58784256
  O     13.34055515     10.39553484    -13.39483999
  H     15.94067591     11.77630223    -14.53023444
  H     18.06421601     10.61383293    -10.61859992
  O     18.02142142      8.39953246    -16.66455647
  H     15.42365281      3.78245594    -15.08585522
  H     18.83875888     10.91943014     -9.31844100
  O     16.12267892      8.71818347     -8.67738809
  H     15.01659435      4.93702323    -14.14021481
  H     14.66116568      5.88704391    -11.97107713
  O     18.83032112     10.74201670    -15.09562127
  H     13.31505144      9.70280770     -9.73449631
  H     13.31619765      5.76413435    -12.70477743
  O     17.84856982      6.28950082    -14.91380245
  H     12.95886922     10.32164138     -8.36606550
  H     17.06733301     11.01878208    -12.52793001
  O     14.26865259     10.60162542    -17.30042361
  H     15.61983853      7.61555184    -10.01005859
  H     18.38000209     10.60568775    -13.24826170
  O     15.25545879      8.79130120    -14.46587420
  H     14.44820766      7.79102390    -11.00071659
  H     14.84983813     11.57884142     -9.61073661
  O     11.66138373      6.72321430    -12.68323465
  H     12.74785177     10.57027201    -14.13441770
  H     16.37297720     11.76748278     -9.72689625
  O     17.97721029     10.68373498     -9.65402557
  H     13.99478836      9.75996442    -13.73149805
  H     16.03782352      8.13385848    -19.06281913
  O     14.21321519      5.41060403    -12.68171270
  H     18.42749301      9.10789498    -16.15807066
  H     16.61202250      8.37962642    -17.64781940
  O     17.89994411     10.53611772    -12.41424889
  H     18.02392060      7.61677826    -16.09089750
  H     12.36125176      8.06290740    -11.59780629
  O     15.52780125     12.16192055     -9.97455440
  H     15.31179756      9.24008707     -8.62541836
  H     12.98629951      9.43243709    -11.93867305
  O     15.78595457      8.32234219    -18.16286161
  H     16.81607738      9.33507151     -8.94228820
  H     11.30385333     11.02861431    -16.27262574
  O     12.87255582      8.79059301    -11.22185043
  H     19.40994461     11.37143875    -15.51847979
  H     12.75695104     10.52302212    -16.41610005
  O     11.96453204     10.48557754    -15.85129277
  H     17.91954107     11.02276018    -15.29340356
  H     14.69147343      6.09762662    -15.97522099
  O     14.26260430      6.90504193    -16.28888587
  H     17.10761530      5.67556441    -14.96757951
  H     14.77389122      7.26425595    -17.02537320
          69
 Energy    -250.96351438900101     
  O     10.57762519     10.69953539    -12.19018085
  H     10.59628850     10.10443392    -11.42930639
  H     15.88955738     11.30188543    -16.14026325
  O     14.05419490      7.26585602    -15.27167967
  H     11.50274550     10.91117093    -12.37378952
  H     16.05414457      9.30322269    -13.50088302
  O     17.73707175     10.62988597    -10.95459832
  H     14.46224604      6.74842278    -15.97510710
  H     16.97448646      8.25014809    -14.18287504
  O     18.65553468      9.81439691    -16.64727488
  H     14.77951139      7.71388041    -14.80557071
  H     11.95643712      8.59436676    -10.48201059
  O     12.54991470      9.52609971    -15.39510826
  H     18.03715204     11.44036454    -10.55186955
  H     10.94165291      8.52980885     -9.31745991
  O     13.21057964      6.17669084    -12.84266991
  H     17.14681877     10.88172318    -11.68666777
  H     18.08242474      5.57453453    -10.12228085
  O     16.03812084     11.10929398    -13.00128920
  H     17.92077809      9.35809296    -17.09827329
  H     17.15717246      6.08251836    -11.25221028
  O     16.47740917      8.64402300    -17.74266621
  H     19.29177710     10.04457734    -17.31920298
  H     10.33332151      7.61003361    -13.23450750
  O     18.68263526      7.84595951    -14.64268557
  H     12.98435281      8.65843251    -15.38606826
  H     10.57387002      7.46242673    -11.72443796
  O     15.68864564      5.96572560    -17.12452985
  H     11.62399555      9.39055063    -15.15947032
  H     18.84835677      7.68885597    -11.49448053
  O     17.33190507      5.44667289    -15.04270027
  H     12.25540222      6.29802528    -12.74107027
  H     18.80119830      9.21647757    -11.65946806
  O     16.64400473     11.57986246    -15.60649799
  H     13.42697137      6.45922344    -13.74256762
  H     15.01873856      5.75574069    -12.52619904
  O     16.08393733      8.40131185    -13.83664902
  H     15.07426850     11.12055277    -12.92890238
  H     16.04429270      6.84173077    -12.89175556
  O     11.01128939      8.66012045    -10.25939835
  H     16.27929522     11.38556271    -13.89879592
  H     16.61402242      7.78372391    -10.05086435
  O     17.79122505      6.36423177    -10.57049712
  H     16.20333207      7.73120492    -17.59596460
  H     16.59049781      9.30876378    -10.22606444
  O     10.58790156      6.97322698    -12.55656952
  H     15.70716743      9.20155878    -17.57755311
  H     14.00444650     11.09305787    -17.80366520
  O     19.20187748      8.41633951    -12.02108650
  H     18.85365910      8.56121443    -15.26650679
  H     13.71516656     10.25443128    -16.54238920
  O     15.96675116      5.93538565    -12.55334055
  H     19.00914316      8.09531856    -13.76377579
  H     14.42965939      8.46072183    -10.73932894
  O     16.03268304      8.55200956    -10.00758936
  H     15.63813473      5.22125330    -17.71740346
  H     13.53110246      7.63906401    -11.73519614
  O     14.42330793     10.55981793    -17.13154904
  H     16.30765507      5.71886195    -16.41299923
  H     13.42170360      9.86076238    -12.31239209
  O     13.57515739      8.43849699    -11.19491577
  H     16.87965686      5.38793939    -14.19294730
  H     13.10150198     10.28418342    -13.77808284
  O     13.32563782     10.62489594    -12.90181532
  H     17.94706164      6.19047162    -14.96061994
  H     10.09792877      9.76866349    -13.59366959
  O      9.96971992      9.17153750    -14.35296243
  H     17.40024816     11.07460318    -15.92896349
  H      9.08856728      9.32907088    -14.68177035
          69
 Energy    -250.96267903314941     
  O     11.53465113     11.29065266    -11.55359350
  H     11.70700504     12.18126451    -11.88366584
  H     14.27496115      7.07255190    -13.65851211
  O     13.31931790      9.05402368    -17.36262409
  H     11.98975122     11.21315851    -10.70244559
  H     10.31463018      9.62086050     -8.15748148
  O      9.76332217      9.14870400    -14.80340186
  H     14.15789065      9.07992272    -16.86628777
  H     11.56833105      9.19900395     -7.36710993
  O      8.98966910      8.77863871     -9.32375681
  H     13.54966112      9.01638683    -18.28668450
  H     16.28743453      9.74870141    -11.50729161
  O     12.42597525     13.78751064    -12.43557699
  H     10.40944116      9.79814750    -15.12786704
  H     15.40505511      8.67545926    -10.81591595
  O     15.58226042      9.18450247    -15.89032606
  H      8.97192128      9.27056027    -15.32364718
  H     11.16256230      6.60249388     -9.68557668
  O     13.30028544     13.09885958    -14.90571532
  H      8.05207463      8.93160167     -9.23132831
  H      9.99886208      7.17044853     -8.87360482
  O     16.66261545     11.60473320    -11.65922053
  H      9.19892835      8.91400053    -10.26155112
  H     13.86976522     13.29338698    -11.24270141
  O     12.67069877      7.60252906     -7.25878699
  H     12.07749158     14.67492874    -12.43730032
  H     14.02604606     12.34713641    -10.03197165
  O     11.85989690     10.73492815    -15.65771702
  H     12.73721519     13.60540473    -13.33966918
  H     12.28158167      7.79551143    -16.38507371
  O     13.18682237      9.96533566    -13.37507365
  H     15.65742566     10.02356499    -15.41577828
  H     11.03827016      7.76328400    -15.46841421
  O     13.32889823      7.14625229    -13.48765033
  H     15.82054294      8.50500141    -15.24830878
  H     13.71145617      8.14433924     -8.77234188
  O     11.04487169      9.96676758     -7.63078012
  H     12.72201269     12.45189176    -15.32722027
  H     13.25061156      8.08100738    -10.23970262
  O     16.06569609      8.80999440    -11.50700411
  H     14.14006395     12.64192286    -14.75431946
  H     12.39732024      7.10459177    -12.00934985
  O     10.72338636      6.53517906     -8.82494760
  H     15.91828818     12.10070304    -11.27307265
  H     11.18958255      7.93544946    -11.49247833
  O     14.52137077     12.90402690    -10.64883938
  H     17.46083896     12.01114963    -11.33284275
  H     16.79453472      6.69217287    -13.70485835
  O     11.80140170      7.24672756    -15.75096372
  H     12.86546209      7.08789617     -6.48038693
  H     16.13378486      7.87339357    -12.95434454
  O     13.93446535      8.44922337     -9.66082050
  H     11.97878184      7.12206957     -7.74843888
  H      9.74020774      9.09600436    -12.89502028
  O     11.89976263      7.34399048    -11.21398675
  H     12.33344444     10.48349642    -14.84739973
  H     10.36958341      9.99512760    -11.79860699
  O     16.10132792      7.34306414    -13.77224256
  H     12.30751786     10.26732204    -16.37539233
  H     15.97711669     11.53715012    -13.40987502
  O      9.86726453      9.17685148    -11.94286056
  H     12.65803039     10.32463872    -12.65252750
  H     14.66271633     10.85782239    -13.84200448
  O     15.40675298     11.38806623    -14.17246303
  H     13.22220226      9.00378548    -13.30765230
  H     13.43285434     10.19650556     -9.41146502
  O     12.98692738     11.03760677     -9.23997667
  H     12.84585922      7.05960157    -14.32276355
  H     12.29318682     10.84089898     -8.59411068
          69
 Energy    -250.96066092445943     
  O     13.28782476     10.52217711    -15.84488431
  H     13.66581720      9.74659184    -16.28153537
  H     16.35796942      5.37670546    -15.09334586
  O     16.67426819      6.38513928    -13.55385010
  H     13.96885546     11.20306574    -15.88914649
  H     20.62845729      8.30227835    -13.26800229
  O     18.06406304     10.15875714    -11.69190618
  H     17.34397494      6.55943701    -12.88184115
  H     20.42992759      7.12032656    -14.23057123
  O     19.21849191      9.62965747    -15.75523684
  H     16.66720512      7.17057911    -14.12358080
  H     18.11736405     10.63201107    -16.87330948
  O     13.35237191      5.92795280    -16.10716056
  H     17.52903932     10.12697780    -10.88622154
  H     17.10610679     10.26690369    -17.97260063
  O     16.11670555      9.77868795     -9.78677003
  H     17.46644068     10.49523473    -12.37641333
  H     16.40126875      9.43909377    -14.44587318
  O     14.60574375      6.96837150    -11.83290116
  H     19.60591773      9.93587780    -14.92602817
  H     17.53053662      8.91380233    -15.35593081
  O     16.12170674     10.91683098    -13.46313028
  H     19.66876571      8.80466948    -15.98170106
  H     12.38117823     10.07689276    -14.44506169
  O     18.00237502      6.57001821    -17.45894087
  H     12.65771660      5.37823686    -16.45947229
  H     11.06524235     10.17246612    -13.63441090
  O     16.44898087      6.91166106     -9.67253208
  H     13.03730871      6.25785680    -15.24661973
  H     12.24511164      7.88916072    -13.71865997
  O     20.28262156      7.07381986    -16.15016904
  H     16.15351143      8.83706259     -9.57874306
  H     13.14643098      6.86226866    -13.00137941
  O     16.12397231      5.14304700    -16.00219126
  H     15.35378544      9.89241707    -10.36785980
  H     19.58236268     10.25674397    -12.60025914
  O     20.52451779      7.34290176    -13.29635577
  H     15.04755936      6.85149350    -10.98438679
  H     20.96380927     10.87290831    -12.91411557
  O     17.37564166     10.98290845    -17.38490349
  H     15.25608752      6.70255057    -12.50095139
  H     18.25044164      8.29405148    -11.62270380
  O     16.65718312      8.69591213    -15.00783844
  H     15.34562705     10.62229740    -12.96348805
  H     19.21528002      7.17995290    -12.08070909
  O     11.93130820      9.77434608    -13.63525191
  H     15.84652461     11.48736041    -14.19020579
  H     15.73781585      8.52052232    -18.21367009
  O     12.54226042      6.97200038    -13.74721881
  H     17.33032677      6.02926367    -17.01748523
  H     16.15390064      8.56424388    -19.70265632
  O     20.33358493     10.22391857    -13.21660186
  H     17.53930455      7.23527110    -17.97712058
  H     14.33017624      8.78102362    -11.90749720
  O     18.41219477      7.34232486    -11.56384249
  H     16.70153882      6.32174446     -8.96689689
  H     13.31812987      9.84015060    -12.39445175
  O     16.49007039      8.65929635    -18.81488747
  H     17.20936458      6.96545536    -10.27657975
  H     16.18689911     11.82617179    -16.42461297
  O     14.15595360      9.73347187    -11.92689036
  H     19.46778548      6.81867534    -16.62118780
  H     15.55951099     13.19565561    -16.07829569
  O     15.53353753     12.26936006    -15.85379973
  H     21.00908152      6.71586109    -16.65332277
  H     15.34050487      8.37859979    -16.19121136
  O     14.63645573      8.29065748    -16.85334275
  H     15.17317649      5.28627943    -16.06542552
  H     14.17120839      7.46406644    -16.67459621
          69
 Energy    -250.95929284743914     
  O     -9.21968721      1.10401872      3.20528198
  H     -8.48618931      1.41065959      3.76343353
  H     -9.40318750      2.72237126      2.46354756
  O     -5.42957330      0.88645485      6.47208553
  H     -8.93902331      0.25861523      2.82862933
  H     -5.30695039      0.39760532      2.28388901
  O     -7.96093197     -2.64771626      4.92731173
  H     -5.37266012      0.01858162      6.03891671
  H     -4.63609465     -0.80177554      1.57880077
  O     -7.64382990      4.47510344      6.03935519
  H     -6.03845664      0.81683491      7.21615811
  H    -11.48614902      1.46543293      5.46471680
  O    -12.97926814      2.50278183      5.13875117
  H     -8.22450004     -3.53793581      5.14371863
  H    -10.19663407      1.06420466      4.70168835
  O     -7.19761723      2.07130097      4.72015567
  H     -8.38665902     -2.06374041      5.58016063
  H    -11.56138408      5.66956760      5.70422095
  O     -7.55828111      0.86395449      8.37894290
  H     -8.14704862      4.96773289      5.37460250
  H    -12.02086824      7.06209488      5.20672849
  O     -9.32696773      2.78102920      7.43827466
  H     -6.73384369      4.79583572      6.00203446
  H    -11.24263431      3.95777799      2.67230493
  O    -11.67951957      4.37253602      6.87076093
  H    -12.69326068      3.02314838      4.36637871
  H    -11.93952869      4.94828577      3.63250960
  O     -6.34540139      5.97284714      3.05166817
  H    -13.88421732      2.24818199      4.98151907
  H     -7.15857009     -1.08445272      2.25644597
  O     -5.46033408      2.15034339      2.59002805
  H     -6.63068500      1.58055365      5.33007060
  H     -8.10090808     -1.80832369      3.23475662
  O     -9.40795960      3.64734161      2.17335787
  H     -7.37095249      2.92846253      5.12763244
  H     -9.16592939      4.99774485      3.37431148
  O     -5.29781123     -0.57194614      2.22642589
  H     -8.17302957      1.57726526      8.13959376
  H     -9.82093573      6.05946246      4.30587964
  O    -10.59912570      1.10601984      5.58168076
  H     -7.55750725      0.81504711      9.33207199
  H     -6.59804024      4.53248565      0.23460781
  O    -11.51460411      6.29391691      4.95782862
  H     -9.72360228      2.22632875      6.74873278
  H     -6.56310981      4.84270369      1.75016318
  O    -12.06322958      4.11894194      3.15387599
  H     -8.73823713      3.41946003      7.00856894
  H     -8.52155925     -0.45045727      7.33282391
  O     -8.08917266     -1.26616778      2.43500210
  H    -12.21161001      3.70573506      6.41708127
  H     -9.70353827     -0.31796226      6.35298882
  O     -8.97468787      5.72510929      3.98494044
  H    -10.92302675      3.90476374      7.24251707
  H     -6.24112943     -1.89514959      4.99944410
  O     -6.78026241      4.15699028      1.09220280
  H     -7.24989835      6.08917945      3.37511946
  H     -5.28346207     -1.16079161      4.04534725
  O     -9.06693270     -0.94923820      6.71497080
  H     -5.80602498      5.79022413      3.82983828
  H     -4.34016038      2.14332055      5.57111450
  O     -5.42372695     -1.38172712      4.97407909
  H     -5.81480689      2.78705903      1.95889496
  H     -4.25895377      2.57869335      4.08906757
  O     -3.97989202      2.81987758      4.98065280
  H     -6.08696203      2.14192976      3.33077247
  H     -4.58524864      4.41087866      5.33443191
  O     -5.00831503      5.27150522      5.50298439
  H     -8.59477059      3.77904110      1.67239381
  H     -4.36411907      5.81035500      5.95426597
          69
 Energy    -250.95929128765326     
  O     -0.73882708     10.29856549      0.50344793
  H     -0.36148719     11.17312394      0.31279323
  H     -0.41942434      6.94329445     -3.35174502
  O      0.89509998     13.18796169      2.64560003
  H     -1.50736188     10.45229918      1.07007353
  H     -2.41184051     11.51267037     -2.30562567
  O     -0.59107596     15.18375537     -0.59121953
  H      0.74639263     12.99162075      1.70711229
  H     -2.42717181     13.02429836     -2.60472971
  O     -2.73425388     14.71192956      1.01279925
  H      1.50989145     12.51358106      2.95644890
  H      1.51654140     10.43464301     -4.18065743
  O      3.80887392     10.40844846     -0.64981890
  H     -0.79769951     15.01089884     -1.51677952
  H      1.17915861      8.93689254     -4.02475478
  O      1.81382272      7.47813189     -1.14191807
  H     -1.41171535     15.11739517     -0.07523631
  H      4.45971058     15.36516943     -0.26428342
  O      3.92886907      8.58976873     -2.74720206
  H     -2.43701300     14.37188086      1.86547113
  H      3.08440728     15.02182402      0.35408651
  O     -1.09240366     10.21789086     -2.22024011
  H     -3.36486969     14.06172483      0.67820502
  H      1.37934158     12.28434640     -2.90662225
  O      0.42324340     12.68573806     -0.01651718
  H      3.99197612      9.78613691     -1.36405404
  H      0.07084126     11.42176032     -2.98262847
  O      1.80741519      9.38423225      1.00303606
  H      3.10081776     10.02642638     -0.11017529
  H     -0.42483800     13.50344787     -3.40780522
  O     -4.36031739     12.60049463      0.04324377
  H      1.80783866      7.98415916     -0.32023470
  H     -1.15958214     14.68499281     -4.07559788
  O     -0.04251804      7.78312880     -3.10454452
  H      2.62060990      7.72815633     -1.60966530
  H      0.86875209     15.58085057      0.54440467
  O     -2.96217124     12.30571383     -2.25065246
  H      3.25899436      8.96653288     -3.34587639
  H      1.40350986     14.90500071      1.82887676
  O      1.88824923      9.54889854     -4.26183430
  H      4.59541994      8.18599529     -3.29586827
  H      3.22306189     10.83243496      3.89024540
  O      3.85967435     14.64329904     -0.09730640
  H     -0.86310115      9.34983879     -2.57175491
  H      3.43926885     11.54934129      2.53612317
  O      0.63428021     12.03850586     -3.47520959
  H     -1.01822204     10.15722122     -1.25642243
  H     -1.83096185     13.73243387      4.28540478
  O     -1.05171043     14.22767568     -3.24488930
  H     -0.01440329     13.52090279     -0.22916962
  H     -0.79219405     13.35684656      3.20577601
  O      1.62730229     15.54682811      1.14407755
  H      1.21755389     12.63930902     -0.56214880
  H      3.10067693     13.41936605     -1.27144454
  O      2.77143492     11.11797373      3.10020535
  H      2.09051567      9.84462957      1.80145606
  H      3.09816902     11.86842474     -1.39356922
  O     -1.74391034     13.43705190      3.38247632
  H      0.87719953      9.62070702      0.86672334
  H      4.46449434     11.59070464      0.63536541
  O      2.64563984     12.67402587     -1.68345061
  H     -3.88877041     12.47749165     -0.79996570
  H      4.35699536     13.09966882      0.93931889
  O      4.50538753     12.24048787      1.35117044
  H     -5.29174867     12.56330455     -0.15632960
  H     -2.53002045     11.87633973      2.56259816
  O     -2.85990345     11.16567647      1.99951951
  H      0.56216640      7.61385984     -2.35967127
  H     -3.44675697     11.59000478      1.35981367
          69
 Energy    -250.95792993879144     
  O      1.85890221     -0.35515045      1.90872702
  H      1.41221843     -1.11945238      2.31363729
  H     -3.56391041      4.87381707      3.00857040
  O     -5.32435220     -0.05049092     -1.88589591
  H      2.77953054     -0.58952806      1.82409060
  H     -1.46043338     -0.59123564      4.09665376
  O      0.47360579     -2.39914422      3.02267286
  H     -4.58133317      0.54411614     -1.71752499
  H     -0.74362924     -0.28109579      5.41184959
  O     -7.08552687     -0.57217487      0.11087587
  H     -4.93283956     -0.89832833     -2.12964348
  H     -0.83892684      3.49724101      0.76701840
  O     -4.09000578     -2.63463691     -2.14446031
  H      0.02907974     -2.07303650      3.81625959
  H     -0.30506684      3.19411239      2.18339032
  O     -1.83942205     -1.18145660     -1.28054682
  H     -0.23255107     -2.56151362      2.38146313
  H     -3.87906630      2.50830294      2.03790188
  O     -2.84681282      2.27117193      5.24546082
  H     -6.48682183     -0.31480545     -0.61358706
  H     -4.60060816      1.11413903      1.87455789
  O     -3.72015109     -2.04833268      5.14304599
  H     -7.97418042     -0.44339544     -0.20926922
  H     -2.48668797      0.80940601      2.18241738
  O      0.54240428      1.83874640      3.06939692
  H     -4.58848869     -2.86501155     -1.33985411
  H     -0.98921656      0.88682412      2.59347178
  O     -3.03826722      1.35740718     -1.05858546
  H     -4.23195514     -3.34313909     -2.76638012
  H     -6.21751719     -2.32870818      0.12091220
  O     -5.10546831      0.50689909      5.08466049
  H     -2.50672465     -1.75360248     -1.67987175
  H     -5.14254869     -3.05288445      0.95263623
  O     -3.26902968      3.96758063      2.99752992
  H     -2.25613078     -0.31137420     -1.19391510
  H     -0.15558786     -0.33891689     -0.80802311
  O     -1.12249716     -1.00778300      4.90529756
  H     -3.00006054      2.90149782      4.53092397
  H      0.92300652      0.02495113      0.25446558
  O     -0.92817754      3.74914490      1.69383081
  H     -3.59197818      1.65864005      5.22985314
  H     -1.20652163      1.83617295      5.61644601
  O     -3.92698497      1.70246101      1.50873535
  H     -2.78349936     -1.81591302      5.20454329
  H     -0.00548216      1.95405536      6.58576354
  O     -1.74574550      0.29272912      2.51885988
  H     -4.19552964     -1.22205624      5.28536520
  H     -0.14459310      1.92799150     -0.80727110
  O     -5.58087842     -3.05209411      0.09059228
  H      1.11637235      1.12989617      2.75000234
  H     -0.11984339      3.21712184     -1.66196670
  O      0.48313436      0.33534102     -0.54452128
  H      0.41709925      1.73353059      4.02179817
  H     -1.74887311     -1.97700870      0.36245639
  O     -0.28339499      1.55788353      5.76464644
  H     -2.27162271      1.93492704     -1.14930163
  H     -1.69034116     -1.28344462      1.73235579
  O     -0.59641351      2.77779669     -0.96248299
  H     -3.38259890      1.50339910     -0.16425728
  H     -4.05724703     -2.57130730      3.43978985
  O     -1.72359350     -2.15733054      1.30994368
  H     -5.90372676      0.62014312      5.59635443
  H     -3.32683616     -2.53765191      2.06497111
  O     -4.19842898     -2.58754741      2.48228634
  H     -5.38670712      0.28458387      4.18214952
  H     -5.12724297     -1.04149021      2.46909680
  O     -5.65387751     -0.22705361      2.47597029
  H     -2.41385145      3.95389727      2.52754785
  H     -6.26482372     -0.28779143      1.73049734
          69
 Energy    -250.95726979017769     
  O     -3.56024492     -0.21000288      3.26592581
  H     -2.80318270     -0.46703289      2.71987585
  H     -5.21361275     -4.23981141      0.93776042
  O     -0.34564447      2.99838978      1.14251308
  H     -3.33667055      0.66078256      3.61801345
  H     -4.41628338      2.01473844      0.20331096
  O     -1.32255483     -0.49694811      1.67167257
  H     -0.61002287      2.41068421      0.42208024
  H     -4.48830851      2.72786919     -1.17093214
  O     -4.85722455     -0.03929354     -2.74012663
  H     -1.11221695      3.56200889      1.31507780
  H     -8.34350564      4.90017243      1.63535023
  O     -2.18360637     -0.99122550     -2.34249661
  H     -0.76164603     -0.00394202      2.28176366
  H     -7.59877756      3.78284455      0.86872207
  O     -5.19343514      0.90538668      1.33248459
  H     -1.43325617      0.07110557      0.89363993
  H     -4.98276218      3.33941457      5.92948180
  O     -6.94262898      2.10640570      3.23138118
  H     -3.94288976     -0.34122656     -2.70411438
  H     -4.14653170      2.90521848      4.70519497
  O     -8.43153553      0.09972000      0.28647862
  H     -5.31212740     -0.49045658     -2.01403311
  H     -3.60805268      4.62212386      2.06917629
  O     -2.65430096      2.37512058      3.89070374
  H     -1.64916029     -1.46163299     -2.97676638
  H     -3.26217071      3.64914310      0.91527258
  O     -5.72536010      2.50289195     -2.53514733
  H     -2.28895745     -1.58069164     -1.57366412
  H     -5.16208097      4.67980419      3.68025777
  O     -6.00591329     -1.09676788     -0.44618175
  H     -4.60341504      0.46688116      1.95934059
  H     -5.94149240      4.99303524      2.39195968
  O     -4.93543561     -3.32789968      0.91996089
  H     -5.86554962      1.35343256      1.85879040
  H     -4.96157219     -1.44110696      3.38195851
  O     -3.93584805      2.61364420     -0.38963167
  H     -6.31911118      2.42743994      3.89499729
  H     -6.49666223     -1.52426428      3.17333986
  O     -7.58471931      4.32473575      1.67996088
  H     -7.26527013      2.87790252      2.74581782
  H     -0.04141969      2.04015943      2.55623274
  O     -5.02946110      3.19724753      4.98727074
  H     -7.72649546     -0.43494590     -0.10380045
  H      0.83100709      1.51669113      3.72448894
  O     -2.89931805      4.07217324      1.70689023
  H     -8.42664585     -0.12749029      1.22268918
  H     -8.78087913     -0.50097695      3.73961966
  O     -5.12867529      5.20127181      2.87022727
  H     -2.74654857      2.94362400      3.10982417
  H     -7.71582749      0.50515141      3.24913829
  O     -5.68665274     -2.04821175      3.18034958
  H     -1.73863813      2.07179130      3.89567979
  H     -3.23809974     -2.79008016      0.29429424
  O     -0.03478238      1.44822729      3.33188133
  H     -5.83572871      2.89886751     -3.39499557
  H     -1.97182637     -1.95800697      0.62808287
  O     -8.04914937     -0.40063765      3.13493999
  H     -5.43215714      1.58497171     -2.68324172
  H     -1.69844502      0.47570998     -1.28503908
  O     -2.41026594     -2.45697027     -0.07260282
  H     -5.72914624     -0.40019143      0.16862258
  H     -2.41867498      1.65499535     -0.58607607
  O     -1.60332623      1.13260858     -0.58500052
  H     -5.69464120     -1.93005209     -0.07481956
  H     -7.99834793      1.79634843     -0.22708192
  O     -7.66330059      2.68388903     -0.42078331
  H     -5.21227384     -2.93339760      1.76624603
  H     -7.06986975      2.60889248     -1.17537575
          69
 Energy    -250.95715095951476     
  O     -4.36767473     -0.65925447     -0.51445687
  H     -3.96975032     -1.54239673     -0.55251076
  H      0.01240839     -1.50581247      0.69145871
  O     -2.46757242     -0.91699884      2.48104459
  H     -5.05701412     -0.68366620      0.15620410
  H      0.51869489      1.74379313      3.16578738
  O     -3.83513837     -4.92694520      1.55600509
  H     -3.25988736     -1.45899910      2.58940763
  H      0.12827726      0.51095370      4.01200789
  O      2.52496411     -1.17986320      4.50180276
  H     -2.72621942     -0.02163562      2.22900969
  H     -0.85457718     -4.86602807      2.94672541
  O     -3.05554479     -3.08409504     -0.49661245
  H     -4.21074382     -5.78589004      1.38286874
  H     -1.82058542     -4.98867701      4.14394199
  O      1.42593593     -0.38631231      1.05828383
  H     -3.06143780     -5.07013710      2.13050306
  H     -4.32696186     -2.66117503      4.64385854
  O     -1.95719209     -4.31769983      5.92798493
  H      2.09474952     -0.34933573      4.25945576
  H     -3.98604926     -1.66119567      5.76213635
  O     -4.66661833     -2.60378353      2.85974655
  H      1.84404678     -1.72033825      4.92387439
  H     -3.26413304      0.60213837     -0.80138900
  O     -2.90238108      1.81002574      1.87871934
  H     -3.31949817     -3.78358863      0.11168152
  H     -2.94923671      1.85578552     -1.64551277
  O      0.06710035      1.79906998     -0.12605195
  H     -2.16444549     -2.82388503     -0.22514638
  H     -0.15533179      4.01175030      2.16567435
  O     -1.18988937     -0.44024665      4.81670624
  H      1.22486408      0.04277406      1.90332518
  H     -0.17054164      2.70725163      1.32882358
  O     -0.73670541     -2.11263573      0.74195001
  H      2.09997868     -1.04817026      1.25197437
  H     -4.69526247      0.76450876      4.24857148
  O      0.85268821      0.90475651      3.50475665
  H     -2.15783897     -4.88348102      6.66862132
  H     -4.39849941      1.47006547      2.90888663
  O     -1.71550459     -5.21377715      3.21190867
  H     -2.70639781     -3.70214433      5.83345548
  H      4.01999617     -2.67631728      2.07306585
  O     -4.01245519     -2.60203618      5.55742791
  H     -5.34397414     -2.08786616      2.40447789
  H      3.00781483     -1.98919695      3.02183499
  O     -2.66700942      1.36940261     -0.87524412
  H     -4.49268990     -3.40968680      2.35630159
  H     -7.20755880     -0.49731480      1.57337746
  O     -0.37702811      3.08537600      2.20425502
  H     -2.90117915      1.75235525      0.91322484
  H     -5.92426815     -0.03455835      2.30479693
  O     -5.09752767      1.03105065      3.41383671
  H     -2.10434005      2.29313150      2.12365512
  H     -2.74116189      0.07724343      5.54008379
  O      3.10427863     -2.42469022      2.15539003
  H     -0.78523843      1.50682788     -0.47284291
  H     -3.62760055      0.76706135      6.60072539
  O     -6.27604449     -0.67869173      1.66358619
  H      0.58560930      1.01000959      0.07803388
  H      1.51682703     -3.49531787      2.36932981
  O     -3.66207955      0.24125330      5.80509424
  H     -0.69290172     -1.23265946      5.05949722
  H      0.07783518     -3.24594295      1.88060618
  O      0.59890670     -3.74132031      2.53063944
  H     -1.63664366     -0.64862399      3.97938372
  H      0.36653912     -3.10674537      4.24146290
  O      0.25445009     -2.77852969      5.14613873
  H     -1.38151783     -1.69313854      1.33318118
  H     -0.41845754     -3.33960773      5.55193934
          69
 Energy    -250.95682767633309     
  O     -2.77550777      1.42856385      4.36285171
  H     -2.54506086      1.35797255      5.29987635
  H     -2.13892879     -3.23153854      7.34668503
  O     -0.28109246      3.43625515      7.03500098
  H     -3.14642524      0.58154646      4.08006617
  H      0.27638232     -1.19433543      6.46763813
  O      1.09487205     -0.29872362      1.42500770
  H     -0.33298594      3.80833284      6.13637752
  H     -0.56573257     -1.55022018      7.71806243
  O     -2.65502498     -0.19303867      0.97156525
  H     -0.15038776      4.17096724      7.62841905
  H     -2.31043191     -3.59914058      5.00670385
  O     -3.60681859     -1.05091190      3.51506096
  H      1.25932243      0.48364000      0.88359152
  H     -3.65373263     -3.33298312      5.71697023
  O     -2.67974214      3.71850015      2.90296074
  H      0.55621271      0.01844647      2.16835611
  H      1.12378944      2.10983764      6.90065277
  O     -0.40350992      4.36877091      4.50555268
  H     -2.07149901     -0.94055094      0.80162843
  H      1.24912385      0.59730870      7.13582731
  O      1.50853635      2.98526335      3.07796817
  H     -3.15296145     -0.43654175      1.76178092
  H     -3.28862871      0.00630044      7.51502573
  O      1.18978497      2.24765881      0.32134271
  H     -2.84537205     -1.64748458      3.54850396
  H     -3.19416996     -1.44765906      8.01295603
  O     -1.41325254     -2.80314926      3.55155723
  H     -4.24158466     -1.38028956      4.16343711
  H     -1.05967092      1.04048371      3.80744479
  O     -5.09666755     -2.04769823      5.65709619
  H     -2.80678711      2.91558066      3.43872600
  H      0.37899827      1.59222875      3.56519900
  O     -1.85119656     -2.82044268      8.18152878
  H     -3.52765276      4.15287049      2.85406863
  H      0.01061066     -1.65372832      0.96460886
  O     -0.03531006     -0.85060019      7.31777987
  H     -1.18268098      4.28399399      3.94475277
  H     -0.45451092     -2.82786490      0.07049790
  O     -2.80195249     -3.77556234      5.81924461
  H      0.33778888      4.02017233      3.98917938
  H      2.76911772      1.34539850      5.31417720
  O      1.72928677      1.36512358      6.80505274
  H      1.54781737      2.81924736      2.13008905
  H      3.27512955      0.48087031      4.12900726
  O     -3.81550145     -0.78539453      7.68492704
  H      2.23152388      2.50184945      3.51036422
  H      2.46169258     -0.94671432      2.47402954
  O     -0.14800596      0.78515580      3.63077771
  H      1.41946198      2.75170998     -0.45367185
  H      3.78242406     -1.69539794      2.76773587
  O     -0.68195442     -2.32534800      0.84887074
  H      0.21983445      2.30940829      0.42252848
  H     -1.86631799      2.87229081      1.39219896
  O      3.21028135      1.38466710      4.45075379
  H     -1.19546291     -2.80277981      2.61192010
  H     -1.91290434      1.45902317      0.76234201
  O      3.04617181     -1.25551145      3.18525587
  H     -0.64631484     -2.43129085      4.01085579
  H     -1.26313270      0.47560937      7.07529787
  O     -1.45899246      2.31352840      0.72129738
  H     -6.01467614     -2.18686826      5.87205987
  H     -1.44731699      2.01176605      7.09066486
  O     -1.92178655      1.17848190      6.97442788
  H     -4.70688990     -1.54314378      6.39419135
  H      0.41677022     -0.64913148      4.47492275
  O      0.73123135     -1.52353576      4.76155725
  H     -1.81562751     -3.51538690      8.83319338
  H      1.61075946     -1.62275522      4.38084794
          69
 Ord_Energy   -250.955917    
 O   -8.36033630      -2.60152745      -5.00495508E-02
 H   -7.49984264      -2.30543399     -0.372462153    
 H   -8.93101406      -1.82387781      -7.20407888E-02
 O   -4.40057421     -0.989794374       5.58499479    
 H   -4.84276342      -1.83243287       5.73998165    
 H   -4.85299158     -0.330159128       6.12476969    
 O   -5.84742069      -1.50695789     -0.851087153    
 H   -5.30012321      -1.69108045      -6.54215068E-02
 H   -5.32710743      -1.74671435      -1.61281240    
 O   -8.37951374      -3.08618188       6.36266947    
 H   -8.96354198      -3.23669076       5.60420704    
 H   -8.43955421      -2.14197350       6.55412531    
 O   -8.23114491     -0.277807802       6.35002470    
 H   -7.94531822     -0.458178699       5.44007254    
 H   -8.92916298      0.386930019       6.31129169    
 O   -10.0810633     -0.699563324       2.86717868    
 H   -9.96667862     -0.624895930       1.90954638    
 H   -10.1896830      0.207229421       3.18073750    
 O   -5.90258503      0.889092386       7.14281321    
 H   -5.79965448      0.907683313       8.09193802    
 H   -6.74313068      0.433169693       6.96184349    
 O   -8.29321671       3.36155844      0.550754189    
 H   -7.76570272       2.62176061      0.221044675    
 H   -7.99890089       3.50960493       1.45971584    
 O   -7.46467590     -0.807902515       3.74118209    
 H   -7.03486395      -1.65160036       3.55151534    
 H   -8.35941982     -0.845413744       3.37721443    
 O   -7.56780815       3.15125871       3.28143477    
 H   -7.45347929       3.32651663       4.22568417    
 H   -6.89289856       2.49690986       3.04881978    
 O   -6.97306013      0.890034318       8.98840874E-02
 H   -6.55123234      0.151547596     -0.366027832    
 H   -6.53480577      0.960087240      0.950617611    
 O   -10.0202913       1.88480544       6.13165808    
 H   -10.1767282       1.98794317       5.17802668    
 H   -10.8325968       2.12430358       6.57062483    
 O   -10.1260748       2.07004428       3.40097880    
 H   -9.22486973       2.42430806       3.34195995    
 H   -10.5427570       2.24835634       2.54954743    
 O   -3.39866352      -9.61797610E-02   3.23559976    
 H   -3.71685815     -0.443274647       4.08887911    
 H   -2.50828147      0.212046549       3.37938547    
 O   -5.86591339       1.09334052       2.62554789    
 H   -6.42505693      0.426675528       3.05574870    
 H   -4.95342731      0.829797208       2.78639960    
 O   -9.59758186      -6.44468293E-02  0.206347466    
 H   -10.1654997      0.714195311      0.232488170    
 H   -8.68850231      0.271425545      0.175103977    
 O   -9.91954803      -3.28372836       4.05644464    
 H   -9.48532295      -3.75741267       3.33695126    
 H   -10.1531420      -2.42108178       3.69106722    
 O   -7.39879751       3.16411948       6.04211855    
 H   -8.28061104       2.82027936       6.22918606    
 H   -6.78165722       2.50677800       6.38366985    
 O   -8.39556789      -4.44900370       1.92728019    
 H   -8.41831875      -3.80586839       1.19560170    
 H   -8.57483482      -5.30424833       1.54594839    
 O   -6.19941568      -3.23905349       3.16216230    
 H   -6.02219915      -3.49881554       4.07519865    
 H   -6.92214918      -3.77766657       2.81434011    
 O   -10.8420916       2.46988440      0.688441694    
 H   -11.4597702       3.00951147      0.202913597    
 H   -9.96129894       2.87260056      0.571085513    
 O   -5.76687050      -3.51968622       5.90556860    
 H   -5.44427872      -4.22851610       6.45519495    
 H   -6.71121979      -3.40453911       6.11935520    
 O   -4.45217466      -2.00640273       1.39344776    
 H   -3.99086332      -1.36536574       1.94577301    
 H   -5.01434040      -2.51467276       1.99560559    
          69
 Energy    -250.95586672628721     
  O     15.71046123     11.57888705    -15.93905576
  H     15.27441859     10.89586351    -16.46240994
  H     15.40975533      5.19178878    -15.81627462
  O     15.66604594      5.96542009    -14.11960862
  H     15.16464966     11.65462358    -15.14295416
  H     20.00752187      5.86343025    -14.85490733
  O     19.29560948      7.81614698    -12.33646811
  H     16.40226320      5.65884765    -13.57440427
  H     18.92880946      5.03016027    -14.12600803
  O     17.78950509      7.45867910    -17.80786359
  H     15.98861617      6.75396478    -14.58447250
  H     18.73206599     12.37865517    -15.70670780
  O     15.00070522      7.06767898    -18.45516788
  H     18.75450661      8.55453830    -12.65285486
  H     17.42596895     11.55386962    -15.75365570
  O     16.10013130      9.03003981     -9.28632334
  H     19.98122203      7.69502911    -13.00444167
  H     15.79580044      8.66932707    -15.78023773
  O     13.92587603      7.59494454    -12.71074865
  H     18.03333557      6.52753228    -17.70887673
  H     17.11452329      7.93906754    -16.13256665
  O     17.72643149      9.76308037    -13.47699494
  H     16.90471654      7.46186800    -18.19265887
  H     14.45075755     10.90562497    -13.01515437
  O     18.24475840      4.72946334    -17.31434992
  H     14.60307044      6.74609036    -19.25978980
  H     13.37912667     10.64147668    -14.07971518
  O     14.74061685      6.64162154    -10.11784818
  H     15.08033500      6.30381323    -17.85515191
  H     16.10291525      5.54358185    -10.05372211
  O     19.67440004      9.08125055    -16.44327196
  H     16.13938586      9.48685197     -8.45068758
  H     16.79246471      4.31446354     -9.41456406
  O     15.45812856      5.00054598    -16.76219088
  H     16.94684456      8.56024689     -9.39271633
  H     12.94359015      8.39733562    -13.97921429
  O     19.43876027      5.08898976    -14.94434855
  H     14.48496208      6.95374988    -13.17406513
  H     11.59063502      8.80911344    -14.59685135
  O     18.38352033     11.50112844    -15.57643512
  H     14.48448019      8.34367835    -12.44997880
  H     21.86125078      7.59445476    -14.74818680
  O     16.55580987      8.21254897    -15.39478440
  H     17.31442430      9.17073476    -14.12711732
  H     20.49164782      8.08887119    -15.26761486
  O     13.98878181     11.31486537    -13.75914027
  H     18.06348110     10.50106927    -13.99691835
  H     17.61879071      5.12443137    -11.72654520
  O     16.93729163      5.04260207    -10.01237486
  H     18.69215295      4.03443126    -17.78888827
  H     18.36642157      6.24425903    -12.49375871
  O     12.53379241      8.91932021    -14.68897043
  H     18.68831124      4.80998967    -16.44998459
  H     17.99433834      6.63914345     -9.71545076
  O     20.92084398      7.50071848    -14.62073093
  H     15.06523677      7.47361165     -9.75027688
  H     18.79840479      7.67518128    -10.53294947
  O     17.92382072      5.38968867    -12.60272617
  H     14.30296193      6.86923096    -10.94654411
  H     16.29330915      9.84131054    -12.39216679
  O     18.32982191      7.54403942     -9.69795843
  H     19.10306875      8.62331905    -17.07246822
  H     15.67387769      9.64061591    -10.97620452
  O     15.45857067      9.77920383    -11.90623880
  H     19.23738980      9.91162974    -16.21739881
  H     13.65323001      9.07726422    -16.17889987
  O     14.38394604      9.24389719    -16.78947407
  H     16.37921531      4.76936679    -16.93845938
  H     14.44269734      8.50926861    -17.41345072
          69
 Energy    -250.95416045820980     
  O     13.41694357     10.40094258     -9.96680693
  H     12.91660635     10.96506341     -9.38425020
  H     16.89805804      9.84125375    -15.07901274
  O     15.07245243      5.35183351    -12.37263361
  H     14.25554968     10.86238505    -10.15653220
  H     15.43652078      7.23575938    -12.57502012
  O     16.04328627     12.40650143    -13.23436444
  H     14.24371864      5.37223729    -11.87688111
  H     14.67668012      8.59630157    -12.56110231
  O     18.20188315     10.97198340    -14.55654653
  H     14.84024630      5.25611888    -13.30588512
  H     13.79098806      8.56779176     -9.61851226
  O     11.38955021      7.77937010    -16.11956968
  H     15.28097996     12.13244118    -13.75881827
  H     14.86684105      7.48521546     -9.32780607
  O     16.70876484      7.13323058     -9.00395805
  H     16.81406084     12.01151236    -13.65841219
  H     18.08602451      5.86016503    -11.78576367
  O     12.22270116      7.07500768    -13.52251499
  H     18.90660765     11.44234709    -14.99323008
  H     16.66360605      5.34653680    -11.50778994
  O     14.00711621     11.03617252    -14.69733757
  H     18.61965611     10.35636579    -13.92652454
  H     12.11322212      5.22260320    -10.46152472
  O     14.55937241      8.75016052    -17.50188433
  H     11.51693414      7.49465753    -15.20478587
  H     13.05549320      6.45157863    -10.47379944
  O     14.24463862      5.73242823    -14.97890423
  H     11.91774906      7.18026701    -16.66133111
  H     19.18844957      8.21586860    -13.03510932
  O     16.97706191      6.49782039    -15.29317225
  H     17.02975474      6.53605079     -9.70485999
  H     18.65623750      9.23924565    -12.01351279
  O     16.15637093      9.23071208    -15.19281082
  H     17.09795379      6.83361209     -8.18701310
  H     18.25832284      6.35714819    -14.08362555
  O     15.53935154      8.18514372    -12.70763560
  H     12.18885134      6.54582114    -12.71710355
  H     19.66843307      5.82679819    -13.74818811
  O     13.94070737      7.61648145     -9.56485110
  H     12.43817572      7.97367914    -13.22982732
  H     16.69379972      8.87966960    -11.48551053
  O     17.49461400      5.58955567    -11.07409442
  H     13.34691414     10.91497438    -15.39200222
  H     17.20211748      8.60073315    -10.05756950
  O     12.63739193      5.77336031    -11.03628526
  H     14.74154791     10.44794085    -14.91988188
  H     13.86594010      7.14781560    -17.62044810
  O     19.17568417      9.15728003    -12.82582942
  H     15.17611755      8.90457776    -16.77559021
  H     13.44442614      5.90397666    -18.44097298
  O     18.95924224      6.36810550    -13.40937469
  H     13.82829490      9.36615991    -17.36632397
  H     16.39008021     10.82158860    -10.58199681
  O     17.28447962      9.21732211    -10.79407977
  H     13.57700756      6.24448487    -14.49954179
  H     15.84221227     11.94779284    -11.48547209
  O     13.38610207      6.30073061    -17.57641793
  H     13.97610282      5.75714333    -15.90536528
  H     11.86813660      9.41960440    -16.49171469
  O     15.74161522     11.53726660    -10.61502495
  H     16.85623276      7.43853477    -15.46609789
  H     11.59942541     10.73240392    -17.26600384
  O     12.25323223     10.27897049    -16.74086972
  H     16.08163393      6.14687446    -15.20748953
  H     13.32428256     10.16916611    -13.23371174
  O     13.07585221      9.49969521    -12.58183348
  H     15.98165015      8.81590254    -14.33245733
  H     13.08583090      9.89775589    -11.70250638
          69
 Energy    -250.95071210217330     
  O     15.44456249     10.24572886     -8.84895941
  H     15.58523530     10.51398847     -7.94466288
  H     14.21948720      8.01072163    -13.84626530
  O     12.87980289      6.31665738    -11.34265158
  H     16.32470587     10.07958811     -9.23476112
  H     15.05191298      5.41517769    -16.24107143
  O     17.44695356     10.24592590    -12.73074294
  H     13.48626464      6.73867541    -10.71942679
  H     14.35366984      6.25427903    -15.12133478
  O     17.46909104      9.18399619    -15.28397322
  H     13.39410402      5.64634790    -11.80807754
  H     17.43175245      7.41028807    -14.70751157
  O     16.15754818     12.73378015    -12.72511007
  H     17.60800398      9.94341018    -13.63514456
  H     16.54661905      6.13468766    -14.79793291
  O     14.85846934      7.67826029     -9.87520659
  H     17.08974001     11.14337551    -12.77897281
  H     15.09694673      8.28630712    -11.62338464
  O     14.85841949      9.64156367    -16.14957441
  H     17.99293806      9.07481077    -16.08679931
  H     15.94779844      9.21656948    -12.54597783
  O     14.17770648     11.77239527    -14.58047018
  H     16.56437676      9.38118014    -15.56805620
  H     14.29710744      3.46940703    -12.80067167
  O     15.59240741      5.60018902    -17.99680892
  H     15.54496124     12.55863662    -11.98739929
  H     14.60481761      4.68430456    -13.70184203
  O     11.36474008      7.97953491    -12.86217603
  H     16.45100324     13.63601424    -12.63200858
  H     13.71267265      9.85749422    -12.43926510
  O     17.05584097      5.42503742    -11.98158406
  H     14.88535794      8.54411426     -9.44782704
  H     12.19033071      9.71479016    -12.54357355
  O     13.60905279      7.73698867    -14.55102392
  H     15.72358635      7.27452071     -9.72301675
  H     17.41137011      6.25333936    -10.54079112
  O     14.88533986      5.46021740    -15.29154040
  H     14.62689381     10.48134785    -15.72612467
  H     18.01659599      6.20791167     -9.11774940
  O     17.42087136      6.45881661    -14.53964809
  H     14.33015812      8.96501224    -15.70551541
  H     18.20160158      5.93635583    -16.19005633
  O     15.13167590      8.70435476    -12.49212523
  H     13.57676629     11.38531311    -13.93065192
  H     17.48762348      5.62000959    -17.51242399
  O     14.49200834      4.40368629    -12.77846219
  H     14.87412055     12.19622786    -14.06558123
  H     17.81505407      9.80520958    -10.96958586
  O     12.88918062     10.36989123    -12.44639367
  H     15.63036752      6.55934839    -18.16628598
  H     17.83680197      8.61758931     -9.96958616
  O     17.51061974      6.75581860     -9.71115291
  H     15.25883201      5.19444117    -18.79243888
  H     16.80946483      8.46734681    -18.29745345
  O     18.34374765      5.87049999    -17.14452551
  H     11.85019948      7.37374909    -12.27212552
  H     15.43229279      8.83095005    -17.70547518
  O     17.78447998      9.57973434    -10.02977647
  H     10.44597430      7.73093639    -12.81606856
  H     13.70701508     11.55603264    -11.25572286
  O     15.86763765      8.26894551    -18.36174018
  H     16.19806399      5.01665408    -12.14274623
  H     14.70767673     11.46230817    -10.08049134
  O     14.39960249     12.04216614    -10.78761356
  H     17.33132172      5.80239939    -12.82823275
  H     19.46364934      8.69869825    -18.23994942
  O     18.67181375      8.50979141    -17.74433374
  H     12.72607662      7.80025318    -14.16990639
  H     18.66007978      7.54909711    -17.58463189
          69
 Energy    -250.95058118161961     
  O     16.93456807      7.98108268    -15.79446168
  H     17.52141194      7.44125097    -16.33980964
  H     19.94485953      4.86201055    -14.39073924
  O     20.18191605      6.19808179     -9.96445440
  H     16.14934615      7.44382553    -15.60802717
  H     17.69804502      3.11473355    -13.07978382
  O     15.15339605      9.35220087    -10.46012672
  H     20.92513706      6.23967784     -9.36901316
  H     18.53655437      4.21133013    -12.38559469
  O     13.68376770     10.34621995    -14.01084143
  H     19.77665108      7.08495640     -9.96763402
  H     16.79796438     11.16666253    -15.23826747
  O     18.52467724      6.11061194    -17.11639785
  H     14.89728739      8.42154417    -10.53649138
  H     16.64788247      9.63189315    -15.15763883
  O     12.16418044      7.80191058    -11.88445762
  H     14.37146631      9.87020749    -10.68407659
  H     17.74918983      7.64749842    -14.17101239
  O     17.84780704      4.58374900     -9.58127484
  H     14.61265172     10.39438515    -14.26462559
  H     17.86873188      8.28167510    -12.75429742
  O     14.38130855      6.67443211    -10.60738263
  H     13.34598966      9.50104254    -14.33205604
  H     11.67764061      7.69207647    -14.99597838
  O     19.81886208      5.50294855    -12.64803075
  H     19.02567420      5.59095976    -16.46170283
  H     12.35329900      7.72019033    -13.60427142
  O     15.75383954      5.76817944     -8.34469934
  H     19.03558722      6.10114744    -17.92136518
  H     16.42154069      7.57145136     -8.19645220
  O     15.97977148      5.70476646    -12.62976289
  H     12.24601592      8.72546635    -11.61695596
  H     16.14823632      8.91667646     -8.89308187
  O     19.73488769      4.53649277    -15.27627571
  H     12.83008465      7.31633000    -11.37789941
  H     17.11591377      3.15210900    -15.41908031
  O     17.78009250      3.61790956    -12.26039060
  H     17.77241662      4.09420882    -10.40911464
  H     17.58425141      1.68994311    -15.23616433
  O     16.46022861     10.46216380    -14.68948925
  H     18.65702268      5.10587801     -9.64911466
  H     18.26734870      8.57001958     -9.26254805
  O     18.01231129      7.47012342    -13.25985880
  H     14.90770395      6.28539374    -11.32067826
  H     18.63279505      9.16633390    -10.63280174
  O     12.52298891      7.77631096    -14.56241197
  H     14.73508418      6.32518869     -9.77976477
  H     17.08809778     10.21083972    -12.86416683
  O     16.75187702      8.47383130     -8.28191795
  H     19.24234942      6.24527512    -12.88905953
  H     16.59882741      9.71929352    -11.47437470
  O     17.66780825      2.56668544    -14.87067399
  H     20.11879288      5.68570359    -11.74929692
  H     14.00186330      6.77208566    -14.94936522
  O     18.96964987      8.60203166     -9.93044776
  H     15.52348220      5.25125053     -7.57750092
  H     15.14864934      6.03672574    -14.19357233
  O     17.38739667      9.84324071    -12.02488318
  H     16.50595834      5.31829136     -8.77021307
  H     15.68417446      4.95206695    -16.03159994
  O     14.84455738      6.31792537    -15.06960210
  H     16.66402804      6.37605561    -12.76621370
  H     17.01115051      4.91810605    -16.81046077
  O     16.32884777      4.35244186    -16.42978502
  H     16.45478191      4.87925547    -12.47248979
  H     13.12684709     10.57621912    -12.37567648
  O     12.82630009     10.56592163    -11.44860107
  H     19.16028863      3.77205265    -15.14767516
  H     12.32187308     11.36254845    -11.31057453
          69
 Energy    -250.95052245890381     
  O     16.05084633      5.06961676    -16.32466127
  H     16.07243539      6.03382504    -16.38560763
  H     15.18504601     11.01807777    -17.50461987
  O     18.69208017      7.04793257    -10.10962128
  H     15.14518910      4.84718022    -16.07573675
  H     16.77538381      9.32558160    -11.38053518
  O     13.20474195      9.59006535    -10.12768023
  H     17.99458064      6.71632823     -9.53076295
  H     15.58423905      9.88635911    -12.22246340
  O     19.27102246     10.47414194    -14.09028293
  H     18.59031850      6.57497802    -10.94472621
  H     12.79561088      3.95142082    -15.39129514
  O     17.60211143      3.78382386    -14.50616094
  H     12.41068895      9.97122643     -9.76178979
  H     13.98153540      4.10589043    -14.40934531
  O     14.09878152      7.45817637    -11.72934357
  H     13.51863848     10.20584071    -10.81220432
  H     15.73954035      8.04419975     -8.56455887
  O     18.39628840     11.80680612    -11.68951224
  H     18.83537121      9.60618350    -14.12398113
  H     14.77483412      9.16484051     -9.03226417
  O     16.31259633      6.20182061     -8.67335100
  H     20.16669173     10.34383814    -14.39133294
  H     16.43949647      5.47067264    -11.65768349
  O     15.80945705      7.84760026    -16.04144371
  H     17.11535499      4.25054604    -15.20953054
  H     14.98982850      5.95719346    -11.35416217
  O     17.95774476      5.83171910    -12.60724253
  H     18.18007040      3.16045024    -14.93767232
  H     16.22812616     13.98677676    -12.39328524
  O     16.97961455     11.86815479    -15.07286180
  H     13.57896326      8.01336139    -11.13744711
  H     16.98119660     12.64882210    -12.19731546
  O     15.29459917     10.52794312    -16.69442344
  H     14.91809129      7.95739287    -11.88227157
  H     18.32554389      8.82036912    -10.01891284
  O     16.20018843      9.14779170    -12.13708593
  H     18.30225824     11.13687351    -10.99721197
  H     17.12675923      9.57840648     -9.37953599
  O     13.48850977      4.54889532    -15.12316967
  H     18.80794366     11.36339186    -12.44062821
  H     13.86012938     10.84117204    -13.06037465
  O     15.61191666      9.00144055     -8.58382612
  H     16.27660666      5.53966177     -7.98715337
  H     14.79096852     11.87261611    -12.32023402
  O     15.63164876      5.25595848    -11.16663487
  H     16.02331359      5.76944909     -9.49339815
  H     13.42241582      6.36305475    -14.70686562
  O     16.18499071     13.05455880    -12.58827081
  H     15.67280350      8.73285566    -16.40054847
  H     13.68867552      7.29236562    -13.49416089
  O     17.87156874      9.67564137     -9.99192007
  H     15.04603832      7.66215804    -15.47390948
  H     15.94220354      3.37212684    -13.61509795
  O     14.21600454     11.10722230    -12.19681234
  H     17.96422998      6.63032023    -13.15275789
  H     15.16020230      3.92446103    -12.41144699
  O     13.57543157      7.28233173    -14.45485609
  H     17.96305559      5.08526571    -13.21963769
  H     13.27889208      9.16301863    -14.59744280
  O     15.06064101      3.41078661    -13.22353019
  H     17.81138267     11.45473319    -14.81147753
  H     13.94823832     10.32283380    -15.35626746
  O     13.38361549     10.12289418    -14.59986562
  H     16.66170325     12.34339124    -14.29630206
  H     17.18415943      8.02863240    -14.86748301
  O     17.76198035      8.18200902    -14.10846696
  H     15.91729327     11.03325157    -16.14092545
  H     17.19659832      8.55663803    -13.41202518
          69
 Energy    -250.94916741386493     
  O     17.72233421      8.51560978    -12.12890805
  H     16.99053450      9.13810105    -12.27041880
  H     13.88362658      9.97515809    -15.41362090
  O     12.13376634     11.92207960    -11.62769705
  H     18.23000090      8.87973768    -11.39356350
  H     16.16548390      9.45648432     -5.85649381
  O     17.96386339      9.31418520    -14.79634333
  H     12.65144421     12.31185072    -12.35616688
  H     15.76017840      8.64600825     -7.11064754
  O     11.61328995      9.69000930    -13.32972696
  H     11.51941852     12.59103137    -11.33790267
  H     13.33875065     10.95076566    -10.62147623
  O     15.99376757      6.51081802    -11.34089707
  H     17.05435237      9.12503687    -15.05913242
  H     13.83758749      9.50985766    -10.23010807
  O     18.83918421      9.93488920    -10.02116203
  H     18.07280746      8.87824974    -13.93924741
  H     18.78055108      8.54976104     -8.76235166
  O     19.79282408     12.01336531    -11.70135222
  H     11.68254979     10.42547350    -12.70945975
  H     17.86897618      8.40561202     -7.53316155
  O     16.47582603     11.05295359     -9.01225648
  H     12.06184759      9.97847891    -14.13352816
  H     17.13144178     12.64007613    -13.68685682
  O     11.89525223      7.16630753    -12.41037663
  H     16.35460499      6.10848734    -10.54159366
  H     16.61154621     13.10422928    -12.29782638
  O     14.38834025      6.50730911    -13.70013735
  H     16.65563654      7.14723166    -11.64844826
  H     17.62259499      6.46815126     -8.60505726
  O     15.14295928      8.88481801    -14.85555368
  H     19.28570163     10.61202301    -10.54213437
  H     17.45179280      4.93296042     -8.51840241
  O     13.16769891     10.61936921    -15.55080941
  H     18.01132925     10.32864305     -9.70488760
  H     15.05289762     10.29278264    -11.75976610
  O     16.36208849      9.33814876     -6.78175597
  H     20.66078937     12.40853262    -11.74484888
  H     15.86648394     11.16346206    -12.75705878
  O     14.07692524     10.44812574    -10.25469000
  H     19.47837849     11.93185194    -12.61497424
  H     18.49240618     10.93936367    -14.52203346
  O     18.47193900      7.91323503     -8.10437514
  H     15.61728856     10.88604603     -9.42754146
  H     19.16491116     12.19874760    -15.11205507
  O     16.33281749     12.86477103    -13.19640367
  H     16.45630016     10.58804055     -8.16648675
  H     14.50130756      7.33640897    -10.69700092
  O     17.03556475      5.72746565     -8.84145327
  H     11.75912050      8.06461982    -12.76173237
  H     12.98271205      7.49147465    -10.94970964
  O     15.63511411     10.25472129    -12.52758078
  H     11.06315590      6.70868913    -12.49317042
  H     18.24241701     12.89576285    -10.88961315
  O     18.76847545     11.85095250    -14.31721664
  H     13.50933190      6.63742896    -13.32400751
  H     17.02333199     12.57123806    -10.00381454
  O     13.69005766      7.72473878    -10.33633468
  H     14.97202392      6.33995989    -12.94876908
  H     13.47778922     12.14600683    -14.43640140
  O     17.34863939     13.18707556    -10.67370374
  H     15.27055872      9.37987740    -14.03061157
  H     14.52069281     12.95386186    -13.62129551
  O     13.57289640     12.80565287    -13.73796408
  H     14.88986644      7.98872191    -14.58900185
  H     15.52930238      6.65300985     -8.08319607
  O     14.87639138      7.30995685     -7.81019940
  H     12.95376144     10.59983980    -16.47990732
  H     14.31162089      7.45052743     -8.58090005
          69
 Ord_Energy   -250.948776    
 O    5.83243656      -1.45672858       4.75808287    
 H    5.47905254      -1.84443533       5.57146120    
 H    5.72796106      -2.12112355       4.06613350    
 O    1.91784930       1.31652749       9.58052254    
 H    2.73584914       1.72078645       9.92115784    
 H    1.30083382       1.29309452       10.3068590    
 O    5.06997633      -3.45444131       2.93943334    
 H    4.47870493      -3.75824809       3.65288067    
 H    5.44378662      -4.23325300       2.53719473    
 O    7.70059347      0.149630621       5.96271276    
 H    7.86151981       1.01284981       5.56193972    
 H    7.15961313     -0.389286369       5.36819267    
 O    3.08036017      -1.52813053       2.19778705    
 H    3.43482304     -0.705183387       2.56072879    
 H    3.79339552      -2.17585897       2.26011109    
 O    4.28612614       2.32440066       10.4460382    
 H    4.95406532       1.62809670       10.5078449    
 H    4.71673536       3.07406712       10.0191946    
 O    4.19303608       3.29674697       6.82893181    
 H    4.62788010       2.45141077       7.02010155    
 H    3.23838210       3.13773966       6.84016800    
 O    1.56841481       2.52899098       6.97845745    
 H    1.49467397       1.77918601       6.37311697    
 H    1.55106235       2.15927052       7.87009621    
 O    5.46329689      0.915454805       7.49547482    
 H    5.74281502      0.838305771       8.41708565    
 H    6.22259235      0.667342186       6.95504141    
 O    1.85521615      0.124859318       5.48089886    
 H    2.26370049     -0.164116055       6.31027031    
 H    1.52158177     -0.670088589       5.04790878    
 O    7.95397949       2.82729149       5.20563078    
 H    7.05457830       2.92756724       4.84351015    
 H    8.54211712       3.28570199       4.61169481    
 O    5.41885090       2.99077821       4.33941603    
 H    4.96811962       2.19673443       4.02274323    
 H    4.92390919       3.27428317       5.11996603    
 O    8.85942554       1.34302354       9.79419327    
 H    9.52090263       1.71995640       10.3675232    
 H    8.60903263       2.03820848       9.15842724    
 O    8.01232147       3.23303676       8.06768894    
 H    7.98751020       3.15051055       7.10734749    
 H    7.20242310       3.68451595       8.33569241    
 O    6.65754843      -2.33506417       9.18789005    
 H    6.93213558      -3.06681108       9.73501968    
 H    7.46878195      -1.94569993       8.81267071    
 O    6.25573254      0.354558319       10.1328688    
 H    6.29285622     -0.589776039       9.93763161    
 H    7.16676712      0.680266798       10.1357059    
 O    3.14386773     -0.505894840       7.84833050    
 H    2.65395832      -1.42887002E-02   8.51860905    
 H    3.95624971      -1.96509995E-03   7.67918921    
 O    1.27558172      -2.26811504       4.09776354    
 H    1.84853971      -2.01689982       3.35069108    
 H   0.452344120      -2.57061887       3.72300410    
 O    4.74379396      -2.59698629       7.09622765    
 H    4.06970167      -1.97199786       7.40218687    
 H    5.41725111      -2.61474466       7.78666830    
 O    4.09743071      0.561454356       3.83858776    
 H    3.30837631      0.525392294       4.39724255    
 H    4.71306801      -9.91969705E-02   4.18547058    
 O    8.80102348      -1.02334929       8.20453167    
 H    8.99244404     -0.259097338       8.76140690    
 H    8.51949787     -0.657734215       7.35257578    
 O    5.53726006       4.41495466       8.88699913    
 H    5.00791788       4.13337135       8.11939335    
 H    5.37531376       5.34760380       9.00533867    
 O    3.40173411      -3.98490882       5.01428032    
 H    3.80702233      -3.63266134       5.81771517    
 H    2.61228371      -3.45632243       4.84265423    
          69
 Energy    -250.94833608681228     
  O     17.92589885     12.27129829    -17.66029118
  H     17.53313506     12.72802362    -16.89580539
  H     17.08315903      4.76183856    -11.22912501
  O     15.06515482      6.15242538    -13.21701562
  H     17.93722833     12.90352297    -18.37439229
  H     20.75057603      8.32214881    -16.59021650
  O     18.25305852     11.88000668    -12.00610757
  H     15.05088653      6.14457719    -14.18167849
  H     20.82986004      9.65638019    -15.84371384
  O     21.30844500      7.76245319    -13.33368135
  H     14.73703744      7.01629752    -12.93655496
  H     17.85011502      8.28244457    -15.23154518
  O     14.14986457     11.33919639    -11.10403134
  H     18.78501275     12.46283005    -12.56113071
  H     16.91988912      9.46259902    -14.81936880
  O     14.68920510      8.78189170    -12.24902599
  H     18.63291003     10.99528611    -12.11294454
  H     17.86700252      8.61672035    -11.38201982
  O     19.67201879     13.21639256    -14.03579068
  H     22.21598344      7.59167700    -13.09717408
  H     17.15324413      7.30828158    -10.99968271
  O     19.27167713      5.77394918    -13.71753370
  H     21.31519197      8.09316107    -14.25020664
  H     15.05155308      9.28778773    -16.37146893
  O     15.22463043     10.03797204    -14.67205395
  H     13.49633835     11.69417153    -10.50779152
  H     15.08178331      7.83428748    -16.86037498
  O     17.96515646      6.57002587    -15.95205746
  H     14.96898589     11.22088989    -10.58864750
  H     17.20481013     11.35671777    -10.48856530
  O     15.29638981      6.09865935    -16.04910940
  H     14.31693746      9.57843690    -11.85239479
  H     16.75351812      9.94898425    -10.05196873
  O     17.23295841      5.57233373    -11.70893928
  H     15.52561630      8.61880885    -11.78828507
  H     19.97418543      8.83057151    -12.58903634
  O     21.19915470      8.76364496    -15.85859146
  H     20.50131945     13.68311464    -14.09797691
  H     18.64124691      9.21011051    -13.27232302
  O     17.83401743      9.15106895    -14.81270730
  H     19.74376526     12.43503080    -14.61118040
  H     16.61018121     12.18090396    -12.80809573
  O     17.10672566      8.26630794    -10.89488717
  H     19.97927218      6.38286916    -13.47562972
  H     15.08670651     12.16873809    -12.56236015
  O     15.17432301      8.74521433    -17.16212774
  H     18.66584988      5.71923995    -12.96814181
  H     19.84330431      7.36647133    -18.79594375
  O     16.55922090     10.88934883     -9.94204280
  H     14.96536168      9.50265727    -13.90917724
  H     18.87942830      8.35931589    -18.10227031
  O     19.14363925      9.29758416    -12.44558139
  H     15.37126162     10.92708516    -14.32505478
  H     16.50899952     13.26074546    -14.71317093
  O     15.75672690     12.36138891    -13.22901117
  H     18.47326816      6.20787191    -15.20901540
  H     17.98180847     13.63899906    -14.91609408
  O     19.57159992      7.69021508    -17.94162113
  H     18.57071441      6.81281959    -16.66261870
  H     18.98045094     10.39785549    -15.44016192
  O     17.14072581     13.55457593    -15.38169876
  H     15.11144345      5.31380531    -16.55926496
  H     19.17869090     11.47972408    -16.52335686
  O     19.60093168     11.07338092    -15.75578784
  H     16.26375400      6.21311836    -16.05064447
  H     17.64241134     10.42852364    -18.14599848
  O     17.59154627      9.47887267    -18.29422876
  H     16.45060847      5.71081905    -12.27422235
  H     16.72272228      9.20165465    -17.96596855
          69
 Energy    -250.94639811559051     
  O     12.84705260     12.10270996    -16.40393764
  H     12.25682424     11.79369311    -15.70094631
  H     18.61570602      9.95832342    -12.55988688
  O     15.13242188      7.55751472    -13.13967107
  H     13.51627103     12.65788068    -15.99110130
  H     16.84359826      9.79577673    -17.15168325
  O     16.16204971     11.34282391    -11.03381777
  H     15.10208843      8.30635380    -13.75595954
  H     17.81089786      9.35237854    -15.99883903
  O     17.45719026     12.43438750    -14.86150796
  H     15.64297909      7.84901189    -12.37294000
  H     15.69540537      9.79821407    -15.39731970
  O     12.96501339      8.34523010    -16.57411699
  H     15.54766594     11.48981443    -11.76938862
  H     14.21229271      9.31034839    -15.49849770
  O     12.57829318      7.99650841    -12.18553105
  H     17.02810015     11.60972966    -11.36419299
  H     11.04819587     10.06850889    -14.52803843
  O     14.37938270     11.64956333    -13.10971307
  H     17.43331033     11.66891938    -15.45286454
  H     11.37075068     11.12219311    -13.47123956
  O     16.43961838      6.34224454    -15.30006140
  H     16.62894785     12.90859865    -14.99328636
  H     10.33330626      7.64891688    -14.92158010
  O     13.80170354      8.02647609     -9.67018666
  H     12.92146020      9.02159697    -17.26415720
  H     11.74588391      8.13871855    -15.31577151
  O     18.73972063      7.99196273    -15.12353795
  H     13.57387105      7.66145418    -16.88508479
  H     18.16230302     12.08525897    -13.32299013
  O     14.92679096      6.60683583    -17.50762128
  H     11.96887000      7.94381119    -12.93184699
  H     19.29737907     12.40238162    -12.32064139
  O     18.55367481      8.99671814    -12.62523495
  H     13.45156926      7.77003322    -12.54110335
  H     16.29331964      9.54434165    -10.88290755
  O     17.23513641     10.06341876    -16.30658593
  H     13.55534827     11.42599902    -12.65884443
  H     15.61222978      8.28439385    -10.30801644
  O     14.88586459      9.63918760    -14.89301021
  H     14.55003783     10.94820049    -13.75679341
  H     13.79990034      9.96614214     -9.38633634
  O     11.20745757     11.01235656    -14.41625963
  H     15.97446144      6.58265593    -14.48773601
  H     14.63098730     11.18166862     -9.83581253
  O     11.09751796      8.11501527    -14.59116033
  H     17.27692407      6.82178624    -15.27338761
  H     14.96771057      9.66417113    -18.54208585
  O     18.54029443     11.83982579    -12.45883529
  H     13.27489421      7.95526795    -10.48236421
  H     15.55910679      8.27110577    -18.24755933
  O     16.35201388      8.57678701    -10.85286346
  H     13.44564136      7.38572542     -9.05902665
  H     12.56070555     10.96384758    -10.88819947
  O     13.76223231     10.92352193     -9.50214445
  H     19.64509111      7.73488870    -15.27659279
  H     12.24336372      9.82891452    -11.88655861
  O     15.79978309      9.18180374    -18.45794833
  H     18.69309080      8.32225162    -14.20781664
  H     14.61789174     14.48546412    -14.62451861
  O     12.14131847     10.77933188    -11.74138125
  H     15.48979430      6.47284746    -16.72349205
  H     14.64026974     12.99965864    -14.19448996
  O     14.82822214     13.60689031    -14.93228420
  H     14.92679536      5.78456161    -17.98958490
  H     12.72271240     10.71795028    -19.18992329
  O     13.19866227     10.40084719    -18.42766621
  H     17.92787960      8.72022521    -11.94579751
  H     13.09251617     11.07540541    -17.73039690
          69
 Energy    -250.94179931027116     
  O     20.08019575     11.00824948    -18.73178663
  H     20.62463965     11.78593284    -18.51331470
  H     18.42016900     11.75688966    -19.28849989
  O     19.18367398     17.14514147    -15.26633417
  H     20.61847504     10.43815036    -19.27412798
  H     15.52367460     11.75113428    -12.54924008
  O     22.42270369     13.62396223    -15.42415057
  H     19.07927675     16.20678859    -15.49123822
  H     15.19450673     13.13667419    -13.14274584
  O     16.28652923     14.67722618    -13.35683409
  H     19.09768643     17.61457891    -16.10376088
  H     20.88734174     16.42984060    -14.58494127
  O     16.25755245     11.94425219    -17.00906831
  H     23.31843044     13.48074728    -15.13059778
  H     20.99983080     15.61963090    -13.29425879
  O     17.02065682     10.71801913    -11.90534297
  H     22.10986568     14.43195352    -14.97664888
  H     18.01321799     12.24970430    -12.22269673
  O     14.59840565     10.57652565    -15.22496208
  H     16.58238402     15.57656771    -13.17391000
  H     18.98886565     12.82366533    -13.29077459
  O     21.50505082     13.21546133    -18.08734068
  H     17.02954104     14.10636035    -13.10676312
  H     16.21533621      9.68681994    -14.67522702
  O     19.92996368     15.42993496    -18.73164583
  H     15.60958879     11.43544758    -16.50667839
  H     17.72533016      9.72667074    -14.98596168
  O     17.64929379     17.14687262    -12.97751949
  H     16.16170002     12.86652964    -16.73187202
  H     16.25649159     15.86643797    -17.53802535
  O     19.96509723     12.47131864    -14.72737449
  H     17.10438318     10.21177294    -12.73325009
  H     16.80246662     15.84370739    -18.98374406
  O     17.58333688     12.20570919    -19.45681040
  H     17.05185232     10.08777003    -11.19099766
  H     18.70757216     18.76334048    -18.40432918
  O     14.87985839     12.22535667    -13.09073952
  H     14.62432575     11.20358601    -14.47928750
  H     17.94152824     17.47182034    -18.02685789
  O     21.44958717     15.79021990    -14.13556224
  H     13.71321117     10.22477328    -15.25923112
  H     19.35229408     14.57380799    -11.99809687
  O     18.41064601     13.06438002    -12.55160081
  H     21.12247763     14.04409035    -18.40520108
  H     19.07912442     16.07699134    -12.12004513
  O     17.08320151      9.46520904    -14.31397884
  H     21.88690518     13.39771934    -17.22013595
  H     17.84008074     11.14678119    -16.55467864
  O     16.55676393     16.43401604    -18.25983446
  H     19.74485703     16.34295838    -18.48079132
  H     19.17277952     10.63379027    -17.15893965
  O     18.79194347     17.93974274    -17.93202608
  H     19.22631840     15.17734858    -19.34579893
  H     19.33458616     14.68164461    -17.08611586
  O     19.77986633     15.43931624    -11.94301509
  H     17.44349252     18.03159981    -12.68633761
  H     19.32344032     13.85740333    -15.74372272
  O     18.65761720     10.67068894    -16.34367971
  H     18.17378378     17.23593045    -13.79116708
  H     17.60853176     13.81640468    -20.01818329
  O     18.90852129     14.58146756    -16.22694203
  H     20.88578442     12.65905292    -14.94531205
  H     17.48912058     14.79362382    -21.21118176
  O     17.68344597     14.75243059    -20.27889492
  H     19.62915727     11.75871869    -15.28920664
  H     16.04065704     14.64677424    -15.20356443
  O     16.20357466     14.57914471    -16.15262258
  H     17.02735816     12.05517888    -18.68008096
  H     17.17169810     14.58294716    -16.23687890
          69
 Energy    -250.94136428267717     
  O     12.74396714      9.63631669    -11.10812561
  H     13.16031529      8.87950997    -11.53685448
  H     14.99380898     11.76048063    -13.17441162
  O     10.93799561      6.56208493    -12.64972572
  H     13.27055135      9.87032225    -10.33388630
  H     13.56840981     13.93932142     -7.47149479
  O     11.98682316     11.93645418    -12.33137465
  H     10.48208147      5.80935354    -13.01587113
  H     12.88713036     14.21700566     -6.11147415
  O     14.04903384     10.44727145     -8.75398423
  H     10.87111930      7.28090114    -13.30622014
  H     10.95826295     12.30766447    -10.84620120
  O     15.54778221      7.75874129    -10.45772504
  H     12.25447732     11.07613800    -11.97025229
  H      9.59933339     11.78773883    -10.34826263
  O     13.54701205     15.56668590    -10.76244884
  H     12.78086747     12.48394434    -12.32781938
  H     11.35470739      9.45365276     -7.72979678
  O      8.64190218     10.48187195    -11.17621044
  H     14.18081104      9.56710647     -8.38102505
  H     10.91614190      8.33823904     -8.70387898
  O     14.41491822     13.24491085    -12.08863917
  H     13.21965554     10.79492425     -8.39586694
  H     14.25328350      7.26315201     -7.22098230
  O     14.89951082     14.27700102     -8.56887485
  H     15.06534271      7.65903816     -9.62923443
  H     13.06930253      7.92674803     -7.95899668
  O     10.36490338      8.33404354    -10.50118575
  H     14.95814119      7.44026534    -11.15551361
  H     15.20868326     11.50651271     -9.50375100
  O     11.39476059     14.81844066     -9.28787698
  H     13.49509826     16.49688226    -10.96479936
  H     16.40590378     11.40150792    -10.46100027
  O     15.26561455     10.89037517    -13.48871450
  H     12.72613913     15.33635340    -10.29096692
  H     11.90670776      8.85215402    -14.57066588
  O     12.75106356     13.80329198     -6.95971682
  H      9.09743794      9.67150293    -10.90992206
  H     10.52215206      9.45947096    -14.23426763
  O     10.34108323     12.35850420    -10.10383321
  H      8.87870918     10.62362139    -12.10034009
  H      9.44038942     11.80674435    -14.31108998
  O     11.41788475      8.50434557     -7.89472347
  H     14.15098690     14.11711089    -11.76966179
  H     10.58772501     11.49566801    -13.32221686
  O     14.02731700      7.75445479     -8.00645192
  H     14.91076210     12.83709392    -11.36305212
  H     14.20033020      8.85050046    -15.58031644
  O     15.84401203     12.04034867    -10.00809916
  H     15.38850137     13.55510993     -8.98435120
  H     14.29155240      9.71771022    -14.30612394
  O     10.98682107      8.62681152    -14.38387498
  H     14.55916238     14.81442980     -9.29466221
  H     17.86833610      9.58463004    -11.55192605
  O      9.81059065     11.11576812    -13.76735026
  H     11.15281303      8.87246541    -10.67315299
  H     16.48574407      9.11736025    -11.04544392
  O     13.80025037      8.98907218    -14.72555029
  H     10.41484540      7.60675864    -11.13192042
  H     13.77709220      7.78845673    -13.29878449
  O     16.96769666      9.87237321    -11.42669426
  H     10.87875669     14.05527420     -9.58134080
  H     12.78796972      6.91497014    -12.47757933
  O     13.66139188      7.32680652    -12.45706139
  H     11.74307867     14.57706094     -8.42114185
  H     11.12021342     11.67871753     -8.60630160
  O     11.62372076     11.37606729     -7.83632777
  H     15.88016898     10.54328409    -12.82984382
  H     11.94737120     12.17090079     -7.39294417
          69
 Energy    -250.94096667816700     
  O     12.00158893      9.58794150    -15.94812377
  H     12.67133972      8.99779572    -16.32077421
  H     15.72665777      5.34248558    -15.44779494
  O     16.15570185      6.77908492    -12.72572133
  H     12.38824557     10.47122801    -15.96471010
  H     19.16974525     10.56110337    -12.41966204
  O     15.93348094     11.26215879    -11.29466865
  H     15.30469486      6.66982828    -12.28022490
  H     19.13583825      9.34043771    -13.35187320
  O     17.86668671     11.78972368    -15.23502018
  H     16.65836777      7.39906061    -12.17993769
  H     16.51110856     11.55520689    -16.39426767
  O     13.89061874      5.26135228    -15.87432420
  H     15.38760300     11.27611468    -12.09537088
  H     16.02551113     10.45389986    -17.36951986
  O     14.08688719     10.18789659     -9.55298895
  H     15.33457531     11.05294035    -10.56418351
  H     15.02857628      8.48925337    -15.27542514
  O     13.77753056      6.88124798    -11.29138454
  H     17.96052871     12.08815354    -14.32398042
  H     15.68513014      8.04750411    -13.92903752
  O     14.32632961     10.97266642    -13.48637929
  H     18.18611480     10.87676784    -15.23414707
  H      9.92017354      8.42039235    -13.90666689
  O     18.17703987      6.93411216    -16.91253759
  H     13.39556995      5.51357250    -15.07307448
  H     11.23727314      8.84440795    -14.60192374
  O     15.48982447      7.67680528     -9.17256338
  H     13.46303153      4.48549114    -16.22662377
  H     11.90325579      6.80004702    -13.77962931
  O     18.30403723      9.03601991    -14.99830265
  H     13.44367801      9.94967989    -10.23434791
  H     12.91191687      6.15781261    -12.81023917
  O     16.63539641      5.54745202    -15.19644464
  H     14.46823175      9.35561739     -9.25001671
  H     18.53749616     13.06774711    -11.95707324
  O     19.37520790      9.61835281    -12.45678343
  H     14.25980813      6.99076607    -10.46302979
  H     17.43600585     11.98779985    -11.94225688
  O     15.78369931     11.29962266    -16.98309709
  H     13.40335362      7.75150292    -11.49884045
  H     18.08426631      8.92803825    -11.42616253
  O     15.56808352      8.79149168    -14.53454719
  H     13.97030692     11.48257171    -14.22174961
  H     16.71893981      9.57733952    -11.14529685
  O     10.86918666      8.38356580    -13.82565265
  H     14.81239132     10.23001765    -13.87934353
  H     17.04649029      8.06704500    -17.78429687
  O     12.52843089      6.06961055    -13.69147162
  H     18.90846834      6.38491017    -17.18109899
  H     16.60439433      8.71959010    -19.11174464
  O     18.24414377     12.27469085    -12.39904121
  H     17.63670149      6.40227571    -16.29883219
  H     11.94267390      9.07917832    -12.46152189
  O     17.21119023      8.75100189    -11.04696024
  H     16.19232497      8.00775247     -9.75775791
  H     13.20984101      9.95982323    -12.45328255
  O     16.37608545      8.64016019    -18.18809226
  H     15.92295291      7.30942262     -8.40630691
  H     14.26443269     11.79690367    -16.35208045
  O     12.67559498      9.36842716    -11.90417317
  H     17.34899956      9.02672344    -14.83136672
  H     13.20708229     12.92072821    -16.23563567
  O     13.42826515     12.04990044    -15.91814586
  H     18.46211798      8.34197115    -15.64517393
  H     14.02811463      6.96637916    -16.58982716
  O     14.08040497      7.91693240    -16.75386994
  H     16.59006981      5.86574737    -14.28457873
  H     14.80203950      8.08756519    -17.37230002
          69
 Energy    -250.94066015101706     
  O     -7.97010342     -3.65839907      5.51277625
  H     -7.14066302     -3.15913086      5.62196216
  H     -2.96521668      1.57246113      2.66902517
  O     -9.06326900     -2.45750044      3.21147695
  H     -7.80654324     -4.53479476      5.85037102
  H     -6.64307023     -0.58971932      3.54762504
  O     -5.28669605      1.12241320      0.48724075
  H     -8.70026458     -3.02209245      3.90558193
  H     -7.73776919      0.09296234      4.44919462
  O     -5.52076297      0.41220053      6.89898402
  H     -8.58549917     -1.61524623      3.28390362
  H     -5.59412591     -1.37479098      6.19008812
  O     -5.36229395      5.38153177      2.22788653
  H     -5.35821216      0.18038309      0.29344686
  H     -5.32734043     -2.06215309      4.83340459
  O    -10.10147750      0.60346674      0.46604989
  H     -6.16697083      1.39108906      0.79330851
  H     -2.37387900      3.62155696      3.06785832
  O     -9.73905390     -1.67244321      6.60774250
  H     -5.34305738      1.08093017      6.21487909
  H     -0.98648315      3.30655470      2.45539448
  O     -5.01176830     -1.42564776      3.13487350
  H     -5.06935832      0.70027967      7.68835397
  H     -8.79680526      3.06624400      4.31256413
  O     -4.05140735      3.67753006      0.55056345
  H     -4.93958083      4.80876968      1.56338537
  H     -9.15014459      1.94073304      5.29549889
  O    -11.44742905     -1.59732170      4.30303681
  H     -5.49910378      6.22975403      1.81457228
  H    -10.54724943      1.53196422      3.54923937
  O     -5.79113298     -1.67705759      0.40879085
  H    -10.76256331      0.90710280     -0.14922840
  H    -11.25348671      0.14979976      3.50586479
  O     -3.71861692      0.98020160      2.77760260
  H    -10.47880906      0.71003657      1.36034677
  H     -9.06290299     -0.99527585      0.43167679
  O     -7.52353369     -0.19480185      3.55133532
  H    -10.44657538     -1.62015211      5.95277561
  H     -8.77306507     -2.17930636      1.37612869
  O     -5.69043045     -2.20989135      5.71780607
  H     -9.18149576     -2.41191918      6.33507494
  H     -7.38078799      0.51490304      6.58462425
  O     -1.91196018      3.08729554      2.39652367
  H     -4.40885995     -0.66983245      3.09003767
  H     -8.76818199     -0.19177144      6.41732694
  O     -9.53746783      2.55204660      4.65376432
  H     -5.24626077     -1.64363533      2.22393440
  H     -4.10824452      4.90704453      3.59850362
  O    -11.00540165      0.90775483      2.96685126
  H     -3.23144323      3.48004139      1.01999639
  H     -4.00434304      3.75123880      4.60734307
  O     -8.50029097     -1.77160299      0.54358681
  H     -4.45726612      2.82512968      0.34656016
  H     -4.65572567      1.75123777      4.14942813
  O     -8.23135708      0.56434706      6.13534942
  H    -12.18862200     -2.15585468      4.08106483
  H     -5.90125482      2.63211767      4.45632632
  O     -3.48393233      4.43208485      4.16253008
  H    -10.67427525     -1.95883020      3.83733502
  H     -8.55196359      1.44410493      1.05027952
  O     -5.13790414      2.19550458      4.86103190
  H     -6.76470276     -1.70309259      0.42485092
  H     -7.71050761      0.98717872      2.26318006
  O     -7.75151261      1.64400083      1.54811997
  H     -5.51265591     -2.33616799     -0.22178559
  H     -7.39111844      2.96455701      2.71918881
  O     -7.13039870      3.54778410      3.44788834
  H     -4.25569700      1.06686135      1.97537959
  H     -6.62571413      4.27003044      3.05530754
          69
 Energy    -250.93542665694338     
  O     -5.55619362      1.47608148     -1.57330661
  H     -6.19414439      1.66329710     -0.87254660
  H     -0.25260357      3.43809101      4.68782843
  O     -4.47499303      0.59587688     -4.07068426
  H     -4.88654305      2.17166184     -1.51103434
  H     -0.91504638      4.44663869      2.35302058
  O     -7.03404705      2.06316701      0.73086968
  H     -5.02197016      0.89767964     -3.33261953
  H     -0.47265536      4.36460601      0.88748477
  O     -1.63171612     -1.39478681      2.92592971
  H     -4.35252905     -0.35129717     -3.93694353
  H     -3.06620927      2.72682534     -0.60010947
  O     -2.15178787     -0.95183723      0.22697334
  H     -7.92175894      2.35022184      0.92741939
  H     -3.51775625      4.17095600     -0.88615213
  O     -4.72794485     -1.06936070     -0.76933264
  H     -6.43390324      2.72824095      1.11364285
  H      1.64468328      0.41942735     -0.25724050
  O     -1.42555899     -0.75757013     -2.40038193
  H     -1.50948060     -2.17796665      3.45484557
  H      2.79195850      0.64662357      0.75054651
  O     -2.17923075      1.86013389     -3.25045913
  H     -2.48287282     -1.00021702      3.19698332
  H      0.92658407      2.33378939      0.20161346
  O      0.16762485      0.83765571      2.94167068
  H     -3.09684681     -1.05697553      0.03893459
  H      0.35013675      2.97911579     -1.08481736
  O      1.22971630      0.10334469     -1.93423377
  H     -1.97608068     -1.23512766      1.13238136
  H     -2.84058973     -1.70924858     -3.02331700
  O     -3.94293752     -0.20779188      3.51453861
  H     -4.99401367     -0.17913743     -1.04487624
  H     -3.57759957     -2.89006815     -3.69598159
  O     -0.67518003      3.26585033      3.85083320
  H     -4.53497455     -1.55624440     -1.57879852
  H     -2.90403019      2.21122386      2.15124637
  O     -1.01788741      4.87959059      1.49705888
  H     -1.60142516     -0.86006313     -1.45126820
  H     -2.47204438      2.80448647      3.50092811
  O     -3.46303203      3.29445763     -1.28167312
  H     -1.67817633      0.14369929     -2.64441480
  H     -6.42101919      0.37369393      1.44091458
  O      1.85219672      0.76005446      0.63055237
  H     -2.92038768      1.45712144     -3.72535966
  H     -5.66579361     -0.83992794      0.87528940
  O      0.29773330      2.99189605     -0.12097999
  H     -2.57867711      2.45677378     -2.60051087
  H     -2.11356643      0.83020969      0.44992605
  O     -3.71905445     -2.06549311     -3.23823749
  H      0.74579484      0.72104913      2.17881824
  H     -1.28698515      2.15825355      0.39429510
  O     -3.23648271      2.45555979      3.02928377
  H     -0.41538390      0.06908757      2.96566148
  H     -2.57065321      5.34395855      0.81361246
  O     -6.01380105     -0.46363260      1.69316416
  H      0.42068941     -0.38328704     -2.13621569
  H     -3.45748318      6.50444747      0.31094795
  O     -2.16553741      1.78875355      0.55085785
  H      1.12093938      0.95676520     -2.37218220
  H     -4.65674715      3.38835969      2.34993638
  O     -3.41855939      5.55463255      0.38333544
  H     -4.71617482     -0.35763463      2.95185554
  H     -4.76095976      4.50514800      1.30346229
  O     -5.28494705      3.84911731      1.77574185
  H     -3.77126352      0.74244591      3.48613642
  H      0.70902563      3.22006037     -3.64969299
  O      0.41015818      2.65720258     -2.94014966
  H     -0.34228163      2.40374986      3.54239799
  H     -0.50167950      2.39569138     -3.15576498
          69
 Energy    -250.93369985528938     
  O     11.80271199     11.71610969    -15.89908479
  H     11.03922077     12.14628060    -15.52363863
  H     14.86159670      8.41378924    -19.07001461
  O     13.85544568      9.63228554    -20.02508854
  H     12.11549572     11.07197759    -15.24082037
  H     14.26610348      9.86901863    -13.02926223
  O     11.64461166      7.40478559    -16.80100838
  H     13.42003418      9.53622041    -20.86753517
  H     15.73840273     10.28571850    -12.71376975
  O     13.97001781      8.01483252    -10.43414327
  H     13.15289025      9.73494440    -19.35544122
  H     17.60605761      9.56321744    -14.44154259
  O     14.48341779     12.10868588    -16.68506422
  H     12.35049669      6.77786310    -16.99680446
  H     17.15354812      8.08484217    -14.40383727
  O     18.06680335     11.47290808    -18.28982075
  H     11.50565387      7.35774978    -15.84748964
  H     14.99013072      5.28768905    -11.15426163
  O     15.55397617     11.77476749    -19.24799405
  H     14.32213749      8.71006636    -11.00530066
  H     16.23367054      5.19055541    -10.23638176
  O     17.28936697     11.12139737    -13.40380303
  H     14.64230090      7.32272328    -10.41024744
  H     13.99934848      4.99025206    -17.85480759
  O     13.54319775      4.67499938    -11.93003827
  H     13.55416268     12.20741358    -16.45232614
  H     14.48099800      6.45222005    -17.71136479
  O     12.00246057      9.81910363    -18.09282381
  H     14.69391106     11.17332828    -16.53571525
  H     15.67839492      8.06659510    -12.93711049
  O     14.97681002      9.41830028    -16.10141404
  H     17.19600863     11.59305290    -18.71072042
  H     16.14133471      6.69313912    -12.39308740
  O     15.27063056      7.84192208    -18.40850188
  H     18.70346322     11.90817496    -18.85072301
  H     11.03083764      6.78333187    -10.49998748
  O     15.01646582      9.70644601    -12.44053521
  H     15.09969553     12.04471878    -18.43767622
  H     12.45228708      7.25788293    -10.88518005
  O     17.49806132      8.77488075    -14.98823442
  H     15.01219974     11.07245779    -19.62634385
  H     14.12740455      5.69860935    -15.43358692
  O     15.75446991      5.78344331    -10.80814165
  H     17.92952423     11.56164812    -12.85080105
  H     14.82263618      6.28028514    -14.15638849
  O     13.97636437      5.74575051    -17.27282519
  H     17.22085886     11.64564317    -14.22262540
  H     17.86215910      8.62016733    -16.83749225
  O     16.07964353      7.22389946    -13.19685866
  H     12.80336155      5.23089323    -11.65561889
  H     17.96858265      9.60731420    -18.01175781
  O     11.68155689      6.74957290    -11.19578916
  H     13.68017544      4.86373867    -12.86903210
  H     13.62559060      9.59460068    -14.97729670
  O     14.06680727      5.76633267    -14.47305790
  H     11.81124873      8.97508076    -17.65600036
  H     12.47102076      8.96658043    -14.14329348
  O     17.79967635      8.68054682    -17.80006805
  H     11.85315169     10.50674418    -17.43726512
  H     12.59384370      6.75284185    -14.14149588
  O     12.94814551      9.79099249    -14.30973468
  H     15.85100368      9.26143485    -15.72381478
  H     11.59993792      7.13719079    -13.02375488
  O     11.81870113      7.30249982    -13.94845220
  H     14.93150989      8.89299373    -16.90902363
  H     17.55070251     12.10888160    -16.55497586
  O     17.09191830     12.40138297    -15.75822114
  H     16.20365938      8.08905194    -18.30830948
  H     16.16541174     12.50350287    -16.01596889
          69
 Energy    -250.93270413996646     
  O     15.49251429     10.35352288    -16.16348067
  H     15.56216429      9.96174812    -17.04135616
  H     19.36454808      5.64529506    -13.68563791
  O     15.86783470     11.56076523     -9.55164898
  H     14.60216759     10.18120930    -15.82128384
  H     19.25207262     10.57367174    -16.57334820
  O     19.53581415      9.20264831    -13.97023960
  H     15.99669499     11.64517144    -10.50751888
  H     20.20947915     11.76015567    -16.31274637
  O     15.12084031      6.58829565    -17.29393308
  H     15.09915918     10.98782380     -9.44338103
  H     17.84620881      8.72284616    -14.54707685
  O     16.12901598      7.89968578     -9.13682337
  H     19.24487148      9.42312949    -13.07431895
  H     16.52098507      9.13292595    -15.27775305
  O     15.03515347      7.44784727    -13.14369088
  H     19.62784046     10.00781090    -14.49447748
  H     13.23539196      9.80723705    -14.03800008
  O     16.32266779     11.19474298    -12.29115956
  H     15.85006596      6.14910930    -16.83716677
  H     12.99879445      8.72341945    -15.11066025
  O     20.48288498      6.67514166    -14.53653202
  H     14.40556165      6.64427047    -16.64811099
  H     16.35341774      6.91605220    -12.03361503
  O     13.26052382      6.77972136    -15.14259133
  H     16.81930645      8.53183201     -8.89958200
  H     17.70698396      6.16725131    -12.05066593
  O     19.54889656      6.58852070    -17.26301115
  H     16.48989924      7.37319983     -9.86114654
  H     17.26894787     10.67560171     -8.99904529
  O     17.35378738      5.87823592    -15.73904531
  H     14.59439231      8.22314098    -12.76673472
  H     18.50644979     10.43364434     -8.09933138
  O     18.64917440      5.10584126    -13.30171874
  H     15.73101660      7.79008021    -13.72805575
  H     17.95580093      8.45880513    -11.52762346
  O     19.54030826     11.21887302    -15.90259472
  H     17.00861242     10.54884816    -12.07871267
  H     18.37372915      9.61778060    -10.58453402
  O     16.96944189      8.41728794    -14.80829836
  H     16.58432658     11.62784392    -13.11635188
  H     13.25970179      9.24301758     -8.79942755
  O     13.11013899      9.67312520    -14.98735838
  H     20.26698787      7.58794173    -14.29279318
  H     14.64898022      8.83343023     -9.34170539
  O     17.17425503      6.78460610    -11.53596901
  H     20.38129914      6.63504613    -15.49411832
  H     19.09361261      8.41909908    -17.56360771
  O     17.99756724     10.05602592     -8.81089541
  H     12.59418833      6.15679458    -14.86257618
  H     17.83650650      9.19581928    -17.99894477
  O     18.31995820      9.35540150    -11.51157833
  H     13.86930614      6.89322075    -14.39342903
  H     13.75964430      9.70900349    -11.31808577
  O     13.90391346      9.44676496     -9.47207368
  H     18.75593832      6.25978816    -16.80742346
  H     14.73290759     10.35741170    -12.33427352
  O     18.73704111      9.30894986    -17.67223705
  H     19.73905916      5.96940729    -17.96386726
  H     17.95111114     11.95751143    -15.12169083
  O     13.93290994      9.81354171    -12.26147591
  H     17.19693215      6.79986331    -15.47145655
  H     16.46001890     11.64239308    -15.30621530
  O     17.08123624     12.12855765    -14.74443812
  H     17.66788653      5.43000065    -14.94597376
  H     15.65460420      8.92669854    -19.37199068
  O     16.01424629      8.86214417    -18.49115687
  H     19.04220376      4.27719431    -13.03963596
  H     15.67665007      8.03201571    -18.11062835
          69
 Energy    -250.93210126299886     
  O     10.88523860      8.79799151    -11.52263013
  H     10.83128085      8.08516438    -12.17289021
  H     17.49106486      5.08734865    -10.02820580
  O     16.75472892      9.53761636    -10.42517888
  H     11.37222201      9.51733727    -11.94434831
  H     16.80925076      7.68680429    -10.27225560
  O     15.50413255      5.81034711    -14.73399562
  H     17.22515138     10.19555728     -9.92030810
  H     15.75449221      6.55290465    -10.23085519
  O     16.82514601      2.22365385    -12.98413735
  H     15.80661660      9.74718929    -10.34621466
  H     13.64662539      3.27400410    -14.49723177
  O     16.90083435      9.16311955    -13.26431983
  H     15.22484720      4.90285744    -14.55427854
  H     14.18193810      3.52597673    -13.06330133
  O     14.36228114      9.56752057    -14.21336299
  H     16.29441737      5.98628882    -14.20403025
  H     14.04401909      8.05450767    -13.18363541
  O     14.10804921     10.05394396    -10.26522506
  H     16.51259759      2.07709246    -12.08251931
  H     14.42626356      6.60005527    -13.49660401
  O     11.86814936      3.35379731    -15.20683438
  H     16.05078643      2.51918048    -13.48032796
  H     11.64629924      8.38108086    -10.02038514
  O     15.88182363      2.27849284    -10.27184839
  H     16.91704435      9.37799494    -12.32332656
  H     11.61589267      8.26455939     -8.47707709
  O     12.61399356     10.81610174    -12.57724938
  H     17.25541990      8.26812711    -13.32917057
  H     13.11643065      7.16732922    -16.21634029
  O     18.91867225      3.93703033    -12.70892547
  H     14.20734214      9.01430982    -14.99327215
  H     14.59129230      7.00993879    -15.82962401
  O     17.80706088      4.17410293    -10.06557678
  H     15.30159865      9.51336525    -13.97800452
  H     17.23502925      6.49118287    -12.09488222
  O     16.69973255      6.72996378    -10.33751113
  H     13.61721437     10.40450225    -11.01829150
  H     18.14711277      5.61064775    -12.97881575
  O     14.45383477      3.36642678    -13.97999468
  H     13.50409209      9.45692322     -9.80823080
  H     10.91747850      6.00909331    -16.82984037
  O     13.91562733      7.14625575    -12.88462672
  H     11.56681521      3.50012518    -14.29010938
  H     11.68506759      5.07161386    -15.87577267
  O     12.19030689      8.19116784     -9.23403429
  H     11.47249445      2.53764709    -15.50158104
  H     13.34654230      6.85499460     -9.81461726
  O     13.94762314      7.65089781    -16.16557707
  H     16.56230472      2.95864992    -10.11672735
  H     13.95678361      6.65652550    -11.22527936
  O     17.57242861      6.38590441    -12.99582938
  H     15.97215329      1.63492641     -9.57437908
  H     11.16887967      6.58237427    -14.30028267
  O     11.52415335      6.00313198    -16.09240748
  H     12.39865247     11.69288279    -12.88430963
  H     12.17179317      6.84453233    -13.16303919
  O     13.95880436      6.30649753    -10.31816373
  H     13.22489046     10.43305340    -13.23142677
  H     11.11848511      4.90682693    -12.73907408
  O     11.23120159      6.69301428    -13.34477556
  H     18.20453309      3.29830084    -12.88481335
  H     11.97913274      3.80479390    -12.06828721
  O     11.22924006      3.94932757    -12.66007001
  H     19.72352932      3.54913907    -13.04109369
  H     13.77409174      4.59962077    -10.88473390
  O     13.70608136      3.73000313    -11.30376155
  H     18.33330193      4.10830786    -10.87169734
  H     14.37031272      3.16795270    -10.88537789
          69
 Energy    -250.93069711736041     
  O     13.06845766     12.10547205     -8.65197440
  H     13.08800635     12.28870874     -7.71665030
  H     11.44406080     13.73347529    -13.73456736
  O     11.13399622     10.82190927    -15.39726775
  H     13.80604594     12.60205570     -9.05216316
  H     13.25719780     13.24707831    -12.73642599
  O     13.56716013      9.53419201     -9.82296529
  H     11.55013855     10.91147348    -16.26400923
  H     13.34204271     14.68867484    -12.20373733
  O     18.13332769     12.08024778    -13.65529505
  H     11.03446330     11.71735244    -15.04426175
  H     12.31420248     13.16808015    -17.11214059
  O     11.19613351     12.49958111    -10.70271504
  H     13.44565881     10.36068014     -9.34103706
  H     11.65266537     13.91642193    -15.93632451
  O     11.35251905      9.77665699    -11.50479080
  H     12.77120233      9.42637031    -10.36054971
  H     13.88323966     11.13715651    -13.49730593
  O     12.98516948      9.59309975    -13.75037338
  H     19.07971098     12.12166273    -13.77257941
  H     15.02015629     11.83395712    -12.68722288
  O     14.95760501     15.55264828    -11.71691571
  H     17.80458833     11.41994677    -14.28635669
  H     12.51765331     11.08656341    -18.65513357
  O      9.31536580      9.95587577    -13.35603584
  H     11.71196807     12.38564958     -9.89486947
  H     13.52431850     11.26572633    -17.49556059
  O     14.81624323     13.68731345    -15.47657381
  H     11.72092260     13.07930596    -11.27510477
  H     15.09149427      9.07587102    -10.47200215
  O     15.19232499     11.37218895    -16.96796928
  H     10.58469765      9.65002663    -12.08100284
  H     16.38466031      8.24760849    -10.28829382
  O     10.75057007     13.40854648    -14.32728397
  H     11.32574496     10.70409217    -11.23389510
  H     14.64709353      8.85078694    -13.78192183
  O     12.71509267     14.00142557    -12.45320316
  H     12.48351950      9.55917792    -12.92457381
  H     15.74508108      8.62019028    -12.72335595
  O     12.32429887     14.00112928    -16.62497369
  H     12.37344483      9.92506514    -14.42158464
  H     17.68189714      9.43283645    -15.83312009
  O     14.30927844     11.98539649    -13.32175604
  H     15.59353262     15.24039922    -12.38529919
  H     16.60484503      9.53127969    -14.72841496
  O     12.58271948     11.32897517    -17.73534243
  H     15.12435956     16.48388442    -11.59881820
  H     16.37789806     10.63200115    -11.27270833
  O     15.96509991      8.88425580    -10.86037383
  H      9.81192419     10.12228255    -14.16813836
  H     17.12019808     11.69990349    -12.14771246
  O     15.58816497      8.65188173    -13.67414347
  H      9.01068822     10.82048186    -13.05414286
  H      8.16286823     13.00336941    -11.85332168
  O     17.17875266     10.05702162    -15.31584785
  H     14.62032699     13.07018661    -14.75463120
  H      9.63412042     12.58905962    -11.63112330
  O     16.41526592     11.56998351    -11.50125499
  H     13.97129031     13.94581237    -15.87117820
  H     17.21472531     13.84158193    -13.60776806
  O      8.92030485     12.62093280    -12.28952903
  H     15.83656410     10.86672669    -16.46340560
  H     16.04634577     14.44824356    -14.39291942
  O     16.63706692     14.61015318    -13.64103612
  H     15.17887278     12.25003311    -16.55925813
  H     15.05870625     14.18998340    -10.38871032
  O     15.10805094     13.39197145     -9.85027968
  H      9.98677856     13.23697236    -13.76442989
  H     15.64465674     12.76532569    -10.35562171
          69
 Energy    -250.93057817813741     
  O     14.02940790      3.36064957     -9.19733826
  H     13.41023433      3.26526623     -9.93332239
  H     11.23797570      4.16622232    -14.33848840
  O     18.35781446      7.89258034    -11.32751570
  H     13.64453371      4.03719057     -8.62719764
  H     13.40033005      5.11190661    -11.41126460
  O     13.10667483      8.00273773    -12.84503856
  H     18.12882292      7.25764045    -10.63169423
  H     14.83611066      5.41562611    -11.89463257
  O     15.08971992      8.03277110    -16.26818250
  H     18.26981250      7.42187404    -12.16381626
  H     17.05609989      2.62366914     -9.71246925
  O     16.84404401     10.12004068    -11.41560416
  H     13.41802421      7.22368057    -12.35633487
  H     15.70976116      3.38209592     -9.70953878
  O     14.81093890      6.95507039     -9.09153683
  H     12.61427682      8.54081173    -12.21570926
  H     12.86280855      9.50164955    -10.34797478
  O     17.44970123      6.09215547     -9.44821962
  H     14.21346137      7.66286148    -16.09833939
  H     11.46955326     10.14634333    -10.55221541
  O     12.86315572      6.60859137    -15.20507602
  H     15.33790465      8.49155852    -15.45395718
  H     11.42322979      7.64652553     -9.97623777
  O     12.76663643      5.53194091     -7.80121883
  H     17.42984828      9.34648584    -11.31809082
  H     10.75977700      6.30401058    -10.37150063
  O     16.67486005      5.84435891    -16.38869949
  H     17.39783470     10.89265482    -11.34377121
  H     16.04472450      9.39695309    -12.93461364
  O     17.41893991      6.66234323    -13.73084061
  H     14.56411644      6.58602464     -9.95290347
  H     14.75735770      8.62135397    -13.31755227
  O     10.74304876      4.99330167    -14.29659637
  H     14.20978933      6.54660637     -8.45832988
  H     15.29448790      9.84970879    -10.35561824
  O     14.04116599      5.82378000    -11.52774645
  H     17.29409784      5.15110998     -9.58098192
  H     14.68057199      8.73226688     -9.48289797
  O     16.62223782      3.40335816    -10.04879851
  H     16.58999851      6.45544130     -9.19450672
  H     10.21701971      5.20852506    -12.64427777
  O     11.95651023      9.33534149    -10.66851946
  H     12.87510163      7.15475341    -14.40323290
  H      9.07587947      4.96746678    -11.63204703
  O     11.20557442      6.76459936     -9.65085176
  H     13.48726514      5.88498789    -15.05962775
  H     16.77766990      5.19967781    -12.84051863
  O     15.65168875      8.83821873    -13.61611679
  H     12.16710654      5.95843621     -8.44047762
  H     16.48248201      4.07416383    -11.76661359
  O     14.50598768      9.60804817     -9.85675851
  H     12.33517944      5.57126193     -6.95211874
  H     12.44319770      3.23496260    -12.31126497
  O     10.00345213      5.18162409    -11.69480869
  H     17.15843335      5.77111858    -17.20675496
  H     11.46244780      4.03330758    -11.41381800
  O     16.18879645      4.47064737    -12.59586721
  H     16.14379934      6.65984398    -16.44694012
  H     12.64967932      1.96789232    -14.56782503
  O     12.32011410      3.58906911    -11.42147285
  H     16.79915432      7.40528206    -13.66827187
  H     13.37459490      3.32998893    -14.49581395
  O     12.62078803      2.82430951    -14.14847127
  H     17.37104976      6.35544613    -14.64329206
  H     15.35509749      4.77011737    -15.55219353
  O     14.72595991      4.41527680    -14.91261483
  H     11.31771736      5.64918106    -14.71259213
  H     15.21555956      4.34802216    -14.07816489
          69
 Energy    -250.92875733692577     
  O      1.17799678      0.85200203      5.21947528
  H      1.73399745      0.96963859      5.98591130
  H     -5.36178638     -0.46723375      3.12268888
  O      1.35932566     -0.38444097     -2.63289548
  H      0.54082435      0.15105263      5.44573466
  H     -1.53326232      1.69878167      2.28847814
  O     -0.65748020     -1.06753822      5.80588994
  H      1.67087643     -1.22861262     -2.28476468
  H     -0.61020216      2.55063391      1.39850465
  O     -0.84928723      0.00881472     -0.92013258
  H      0.49281196     -0.23812090     -2.22844422
  H     -3.29174950      0.88707098      5.25667334
  O      2.27856720     -2.66949199     -1.09987603
  H     -0.71873578     -1.95923536      5.44802056
  H     -3.97018402     -0.46322221      4.84481028
  O      3.40501907     -0.69155177      0.38311993
  H     -1.55315815     -0.70440336      5.74014431
  H     -2.28303958     -0.03254621      3.55719726
  O     -3.99450993      3.31100539      2.41487347
  H     -0.34178095      0.63768863     -0.38802615
  H     -1.14621135     -0.66108979      2.69366496
  O     -3.42723658     -3.22233175      3.11091389
  H     -1.76293025      0.03039493     -0.60834620
  H      0.53279390     -2.81469946     -0.52425104
  O     -0.62648599      3.05153299      4.71401192
  H      2.94419466     -3.30893475     -1.33829724
  H     -0.53759950     -1.70052910     -0.45893159
  O      2.87790890      1.50659921     -1.38798997
  H      2.71320432     -2.01466696     -0.52366185
  H      1.31035411     -0.65164978      2.54458042
  O     -5.26932507      0.80388821      1.93537408
  H      3.39452634      0.09417428     -0.17748301
  H      1.74051847      0.49625969      3.47666405
  O     -5.33312848     -1.19495385      3.76917623
  H      3.01863190     -0.41953842      1.22572549
  H     -3.69577906      2.94921418      4.32238006
  O     -1.36807267      2.60870485      1.99216681
  H     -4.20646601      4.18978452      2.10960832
  H     -2.39731269      2.86045845      5.14830693
  O     -3.15182364     -0.06936650      5.16610847
  H     -3.06169018      3.15644123      2.18921082
  H      1.53100926      1.84233459     -0.11530265
  O     -1.84915675     -0.00100252      2.69466525
  H     -4.10422130     -2.56418317      3.31039306
  H      1.17587946      1.24214495      1.27093285
  O     -0.35524757     -2.61774540     -0.20035804
  H     -3.35052618     -3.26539958      2.15058497
  H     -1.95510844     -3.45526784      3.99601499
  O      1.84135801      0.15899905      2.57836305
  H     -0.75980191      3.03292824      3.75778970
  H     -1.03744203     -4.42993527      4.77310779
  O     -3.34074199      2.63620997      5.16129021
  H      0.00152701      2.34542089      4.90500727
  H     -0.17625950     -2.62210275      3.10955360
  O      0.81679861      1.74662108      0.52549458
  H      2.37314969      0.88293574     -1.94011893
  H     -0.01933479     -2.31765636      1.57806274
  O     -1.07265946     -3.55465600      4.39766491
  H      3.37669362      2.06182837     -1.98065223
  H     -3.34235216     -3.88846831     -0.35732521
  O      0.14351250     -1.97668865      2.46634025
  H     -4.71854832      0.44248784      1.22810283
  H     -2.05118649     -3.15813292      0.07445365
  O     -2.99706193     -3.25938913      0.27186470
  H     -4.92621160      1.68822330      2.11314553
  H     -3.35583957     -1.38137573      0.27304144
  O     -3.28428686     -0.42563780      0.37981392
  H     -6.22916564     -1.33347754      4.06468495
  H     -2.82425876     -0.28067818      1.22364491
          69
 Energy    -250.92795573769789     
  O     12.32577427     10.84935398    -15.21927524
  H     13.02945722     11.50328209    -15.28483319
  H     15.60942632      5.78219914    -14.76954921
  O     15.84183509      6.67311149    -13.18480769
  H     12.58612958     10.11280785    -15.79198506
  H     20.85197430      7.13600335    -13.09491074
  O     17.25740719     10.39491158    -11.31156001
  H     15.07766377      6.76272446    -12.59877011
  H     19.65941659      7.64644845    -13.94044671
  O     19.21543948     10.82428163    -15.62074246
  H     16.60734881      6.93403457    -12.65830442
  H     16.21198778     10.11493084    -15.76389019
  O     12.60622320      6.04630920    -15.81025763
  H     16.61664627     10.74113894    -11.94840401
  H     17.46805510     10.93649570    -16.14595345
  O     15.49483474      9.80037109     -9.26191157
  H     16.77228621     10.30636939    -10.47857746
  H     15.57481926      8.14103197    -14.22975220
  O     13.86732823      7.14798495    -11.28288064
  H     19.32061741     10.77767883    -14.65352262
  H     14.59844786      8.79156968    -15.26062566
  O     15.19377547     11.11030491    -13.01122428
  H     19.98004512     11.28444303    -15.95673254
  H     10.31527619     10.08560826    -12.93448044
  O     17.18946595      6.73886009    -17.31348120
  H     11.91472071      5.45329984    -16.09140149
  H     11.59685886     10.20137006    -13.79272295
  O     15.99706303      6.94616615     -9.42484823
  H     12.35943384      6.36396678    -14.92240207
  H     11.64471602      7.94321250    -13.29497975
  O     19.02315507      7.94920095    -15.51498355
  H     15.60672514      8.85138417     -9.13178971
  H     12.55198740      6.90908044    -12.60657804
  O     15.40721974      5.53255055    -15.68211710
  H     14.67483935      9.90207301     -9.76276349
  H     19.83475788      9.53717423    -12.87954756
  O     20.02394260      7.60422375    -13.03693215
  H     13.72223850      8.10594809    -11.25710404
  H     18.82502262     10.55919055    -12.31718873
  O     16.52614135     10.83671079    -16.33174470
  H     14.46746572      6.94567240    -10.55537176
  H     17.59067133      8.60871516    -11.41303507
  O     15.34916054      8.96436970    -14.67707107
  H     14.99882679     11.82438915    -13.62621169
  H     18.60813812      7.53631688    -11.89029998
  O     11.21395479      9.77486298    -13.00465835
  H     15.21725697     10.30393306    -13.55235283
  H     15.93240856      9.67613725    -17.76072979
  O     11.98506190      7.04385235    -13.37625766
  H     17.51474831      6.09082106    -17.93362048
  H     16.12819805      8.16331054    -17.95907224
  O     19.54328927     10.45364252    -12.95515647
  H     16.54488141      6.27978648    -16.74530316
  H     14.02314760     10.40162887    -11.81230269
  O     17.77312061      7.65704811    -11.42083747
  H     16.35482937      6.33787331     -8.78325583
  H     12.56990766      9.90601079    -11.71637697
  O     15.54283091      8.89916377    -18.18136354
  H     16.69941036      7.11166682    -10.07627617
  H     14.68544156     13.46793938    -15.74696526
  O     13.41477175      9.90174532    -11.24902231
  H     18.39549853      7.55574232    -16.13240276
  H     15.31671069     12.05807913    -15.79350187
  O     14.63506903     12.59828751    -15.35898256
  H     19.05762601      8.89346959    -15.70697757
  H     14.00323254      8.68489340    -17.27105351
  O     13.32125860      8.65232846    -16.58305419
  H     14.45086858      5.61703015    -15.77397031
  H     13.03375129      7.73844600    -16.47255100
          69
 Energy    -250.92655946286658     
  O     10.92012556      4.12614367    -11.57632836
  H     11.24869870      4.21370545    -10.67386943
  H     16.04097837      7.50459323    -16.50363703
  O     17.07030649      2.99801861    -12.70504613
  H     10.76245916      5.01720806    -11.90720437
  H     17.10562748      5.73531807    -13.75278262
  O     15.95586620      7.64456482    -10.82459704
  H     16.26506259      2.50275222    -12.51643797
  H     16.79878874      5.70628207    -15.26979582
  O     15.86899547     10.39871328    -14.33891578
  H     16.87907142      3.59915476    -13.43614684
  H     14.35982117      4.83561364    -10.88130929
  O     18.64820531      4.35513277    -10.99129935
  H     15.41283506      6.87503171    -11.06409170
  H     14.09709975      5.34926724    -12.33242972
  O     14.55009693      3.35529516     -9.81289284
  H     15.98869218      7.64976585     -9.86098711
  H     11.99437545      3.14094954    -12.66423128
  O     14.70339982      1.56636292    -11.95168217
  H     16.65197957      9.81851832    -14.34015726
  H     13.07697879      3.49979439    -13.70221069
  O     14.26210630      9.18772932    -12.38163317
  H     16.18284483     11.28512428    -14.49580651
  H     16.28866866      7.41241159     -7.28671549
  O     14.66371898      8.52261942    -16.14501006
  H     18.09867981      3.80329493    -11.57803619
  H     16.20995915      6.23643041     -8.29178236
  O     12.02471729      4.15871199     -8.88833768
  H     19.48270487      3.90409046    -10.89365974
  H     13.95142202      6.78515208     -8.10361854
  O     17.92604974      8.63456417    -14.47581453
  H     14.56223634      2.64723992    -10.47027767
  H     12.74264865      7.16715816     -8.98072307
  O     16.86959782      7.00017238    -16.59310658
  H     13.65276680      3.44678261     -9.46683785
  H     17.33095289      7.10679903    -11.84428573
  O     16.68398228      5.21155841    -14.44873906
  H     14.65117968      0.61910110    -12.04193578
  H     18.35595638      5.95454047    -11.93591581
  O     14.22354282      5.62612977    -11.41643346
  H     13.94808484      1.93968624    -12.44360595
  H     16.04222092      4.15246186     -9.11646737
  O     12.68500576      2.75688380    -13.22316080
  H     14.92553865      8.73853114    -11.83656523
  H     17.45957535      4.61127508     -9.53243457
  O     15.83395367      7.10845967     -8.06738578
  H     14.75545354      9.72691441    -13.01196429
  H     13.03594701      6.91063576    -10.95077551
  O     13.01157024      6.61195877     -8.23700967
  H     13.90813611      8.18311626    -15.64887363
  H     12.97742196      8.43244785    -11.19535501
  O     17.97839271      6.69095159    -12.43219098
  H     14.99985328      9.26711875    -15.63012891
  H     13.56177565      5.92100069    -14.29681626
  O     16.78105631      4.72047521     -8.85625229
  H     12.35858455      5.02533414     -8.59653699
  H     14.89812876      5.10827892    -14.31613464
  O     12.50211320      7.70436903    -10.77534610
  H     11.46185208      3.83325334     -8.19030343
  H     11.14882253      7.23216534    -11.83238470
  O     13.95132585      5.05380606    -14.12656923
  H     18.09515707      8.01877067    -13.75072213
  H      9.73363674      7.27765657    -12.45649524
  O     10.59285582      6.87111109    -12.54387227
  H     17.72917691      8.09004828    -15.24806606
  H     13.29510671      8.12461879    -13.57942158
  O     12.80813194      7.59390836    -14.22682454
  H     17.05665862      6.94001461    -17.52582606
  H     11.96514180      7.36282722    -13.81954437
          69
 Energy    -250.92550665183944     
  O     -8.31390477     -2.16535008      5.67227783
  H     -7.52089630     -1.70738846      5.97500704
  H     -3.05961101      1.39318710      1.99244704
  O    -10.26945692     -2.45171521      2.38839504
  H     -8.94078567     -1.49135490      5.37823117
  H     -7.03427135     -0.52760409      2.94702320
  O     -8.14070966     -3.92904195      3.62878713
  H     -9.63001131     -3.08483871      2.73429390
  H     -7.13591710      0.69774569      3.93478843
  O     -5.58812290      0.92969289      0.09517712
  H    -10.32642315     -1.75624993      3.05778478
  H     -5.28478601     -0.99280549      5.61041655
  O     -6.73073730      1.60673289      5.48695993
  H     -8.13095752     -4.83202952      3.93341537
  H     -5.32517534     -1.15394228      7.15005270
  O     -4.86031331      5.42531967      0.83620988
  H     -8.20311158     -3.36414880      4.42117985
  H     -0.85065856      2.62684213      1.29046030
  O    -10.58635628      1.68248555      0.88648396
  H     -5.90757939      0.05275328     -0.14673693
  H     -2.08240912      3.36851593      1.86558137
  O     -4.44374145     -1.13915108      4.10675279
  H     -6.37443088      1.42613793      0.36709588
  H     -8.10751797      2.77462912      4.96618787
  O     -3.98410094      3.19228116     -0.45118293
  H     -5.95732197      2.08449640      5.15100860
  H     -8.10755494      3.85252190      3.86498651
  O     -9.94338273     -0.33366869      4.23011774
  H     -6.41625098      0.82997651      5.96521302
  H    -10.16898319      2.68418422      3.90681484
  O     -6.88471801     -1.55651849     -0.30639931
  H     -4.58989791      4.64906687      0.31334977
  H    -11.70756500      2.68232299      4.05693481
  O     -3.85666431      0.95952326      2.32201520
  H     -4.85659778      6.17125091      0.24239615
  H     -6.49718705     -2.07523199      1.44189045
  O     -7.49431461      0.30080607      3.12984668
  H    -11.32546413      2.01704292      0.38392242
  H     -6.95326173     -2.84943128      2.72436736
  O     -5.84485391     -0.87731542      6.40012913
  H    -10.78028788      1.86296133      1.82001129
  H     -9.77646094     -1.52684400      0.93664085
  O     -1.80311340      2.61253207      1.31818194
  H     -5.00231941     -1.65639082      3.50937001
  H     -9.85569708     -0.08014682      0.40826799
  O     -8.68647372      3.36075278      4.46039338
  H     -4.10706904     -0.41392495      3.56549152
  H     -3.46064374      4.15215298      3.41022060
  O    -10.98921421      2.25917347      3.59410754
  H     -3.15837476      2.96591492     -0.00519739
  H     -3.50586681      5.06673662      2.17616948
  O     -6.35432546     -2.16801636      2.39177331
  H     -4.52795495      2.39435757     -0.41984883
  H     -4.50712519      2.24018949      3.45225753
  O     -9.44223533     -0.93293759      0.24664595
  H    -10.45971170      0.47436437      4.15581177
  H     -5.51073888      3.42843937      3.53412366
  O     -2.89803785      4.62760758      2.78435349
  H     -9.10259064     -0.13876204      3.78623031
  H     -7.72655262      1.47044898      1.86007942
  O     -4.82518395      2.95231747      4.02633990
  H     -6.88012367     -2.12052617     -1.07498623
  H     -8.75872269      2.09428427      0.89278042
  O     -7.83154095      2.12730469      1.15042700
  H     -7.81429467     -1.30612171     -0.14788287
  H     -6.21408326      4.78791991      1.95940461
  O     -6.79117822      4.26668092      2.53082369
  H     -4.46206202      0.88174736      1.57194959
  H     -7.17402792      3.56953608      1.97625158
          69
 Energy    -250.92134179434498     
  O     -2.51109485      1.09619561      1.67894631
  H     -3.00672716      0.68262939      0.96454022
  H     -1.47713484     -4.08578159     -0.20269609
  O     -3.21553820     -3.66541633      6.66733867
  H     -2.89641851      0.74854036      2.49388321
  H      2.35167453     -0.73566523      3.87209853
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  H      2.65526565     -1.66559852      2.68307495
  O     -3.44457943     -0.38064534      3.92110794
  H     -2.27910493     -3.57544998      6.44638613
  H     -1.13975329     -2.77433355      1.76483045
  O      2.03570012     -3.93813320      4.80287796
  H     -0.08571993     -0.26173311      4.45896494
  H     -0.89039292     -1.43605373      1.05099583
  O     -4.03886945     -5.77772079      4.90706131
  H     -0.71952661     -1.25797593      3.45778602
  H     -3.11234496     -3.49597748      1.60125643
  O     -0.63572120     -3.39115323      5.56272880
  H     -3.99845930     -0.71568718      4.63708843
  H     -2.19604168     -4.59474223      2.22823279
  O      0.90255841     -5.58350972      2.73177396
  H     -2.52458785     -0.53129224      4.18434239
  H      1.89710172     -1.14503070      0.34328154
  O     -5.66945826     -3.63238351      3.88516186
  H      2.30498821     -3.08619168      4.41627152
  H      1.08395249     -1.95620328      1.37058575
  O      1.71883581     -4.51865524      0.18216970
  H      2.76757726     -4.23891045      5.33562037
  H     -4.92638373     -2.74672148      2.51405614
  O     -1.19843242     -1.12722218     -0.83613655
  H     -3.17687836     -5.73644094      4.45912735
  H     -3.96399850     -1.54510866      2.61305166
  O     -0.87667534     -3.85032144     -0.92504643
  H     -4.23539161     -6.70212773      5.03636439
  H      1.36420091      0.69437316     -1.51536057
  O      2.73699806     -1.59005493      3.64258997
  H      0.28986245     -3.63711729      5.44341987
  H      0.28427011     -0.19862046     -0.85850331
  O     -0.65255152     -1.94334703      1.83714982
  H     -0.71557498     -2.48862265      5.22032598
  H      0.99236341      1.11757829      3.26562934
  O     -2.37125417     -4.09094343      1.42297285
  H      1.18100817     -5.28217558      1.85961579
  H      1.62972454      1.66356247      4.56656840
  O      1.96028150     -1.88603987      0.95754033
  H      1.37960354     -5.04659912      3.37754171
  H     -0.71976478      1.39466506      1.71294847
  O     -4.33293510     -2.18865954      1.99086403
  H     -5.56983732     -2.98166395      4.59167895
  H      0.58636570      1.15859991      0.90812562
  O      1.13704835      0.24666147     -0.70487428
  H     -5.20006311     -4.41965993      4.18721799
  H     -4.13194384     -1.22631505      0.50339587
  O      1.35948897      0.85963822      4.13212282
  H      2.46949812     -4.85389265     -0.30269362
  H     -4.68906454     -0.45907214     -0.71546376
  O      0.24633880      1.45431805      1.75852692
  H      1.92053165     -3.59535116      0.40644683
  H     -4.29635135     -2.36429109      6.25255934
  O     -3.89092553     -0.62245312     -0.21941749
  H     -2.14196515     -0.94203864     -0.76317683
  H     -5.44329863     -1.40905285      6.65955938
  O     -4.93044542     -1.70717492      5.91309778
  H     -1.09000720     -2.08126405     -0.98064516
  H     -1.34431759     -4.62664162      4.41051222
  O     -1.59005661     -5.32247830      3.78439151
  H     -0.00841841     -4.16875028     -0.65315731
  H     -0.76018437     -5.59677678      3.36563261
          69
 Energy    -250.91959367775405     
  O     17.27205537      8.15610106    -12.96179286
  H     17.85601945      8.38216720    -12.22750698
  H     12.48401015     11.46030108    -14.71626829
  O     11.95392025     11.10048398    -11.11431783
  H     16.52450911      8.77181412    -12.90282695
  H     16.00539587      6.97785946     -7.86394612
  O     11.09440693      9.30686335    -13.17567520
  H     12.63653054     10.48502018    -10.79826091
  H     16.55010033      7.53887525     -6.52862388
  O     15.73715607      5.91593306    -12.46601668
  H     11.52245199     11.45314736    -10.34015791
  H     14.33053989      9.48285971    -11.39441524
  O     18.63047250      9.11737763    -10.73982521
  H     11.40005472      9.74512489    -13.97886883
  H     13.73158680      8.34909027    -10.52638932
  O     19.31949707     11.58564835    -11.94937969
  H     11.27842899      9.91871403    -12.45306689
  H     18.78294244      7.47780004     -9.85012622
  O     16.35656645      9.80890416     -9.25334463
  H     16.22313557      5.35596047    -11.84861399
  H     18.03621040      7.00152509     -8.59450603
  O     11.51709765      6.66506379    -12.80867973
  H     16.32438760      6.65638146    -12.67850209
  H     16.06540807     12.59831672    -12.00023510
  O     17.25519736      9.56887253    -15.39556111
  H     17.83767871      9.37511138    -10.24468135
  H     16.47786858     12.50346523    -13.49618968
  O     13.85025873      6.62728862    -14.49048181
  H     18.99175350      9.92371322    -11.12544135
  H     17.65768081      3.82000298    -10.33609040
  O     14.46764801      9.11316669    -15.46269639
  H     20.16047818     12.03696112    -11.96911130
  H     17.73951993      5.33942733    -10.05768210
  O     12.19958129     10.78447454    -15.35839770
  H     18.92487510     11.69398037    -12.82865594
  H     15.30277951     10.80609719    -12.89192082
  O     16.60076982      7.64405117     -7.47475996
  H     15.48671436      9.65019680     -9.64585691
  H     14.80872349      9.60873512    -13.76095815
  O     13.93000842      9.29448912    -10.52865867
  H     16.45265478      9.16286855     -8.54216925
  H     18.36281511     12.48928104    -15.16301887
  O     18.58159570      6.69041044     -9.32777575
  H     10.70134123      6.19722188    -12.96499815
  H     17.77994943     11.10332541    -14.80765477
  O     15.71877333     12.57612094    -12.90632878
  H     11.32745153      7.61198551    -12.93597540
  H     14.30420782      6.36747878    -11.43281297
  O     17.16026800      4.63137691    -10.39253558
  H     16.32235283      9.43617573    -15.61290449
  H     12.76462604      6.53333104    -11.44161742
  O     15.10597214      9.86112378    -12.87650413
  H     17.44336570      8.94190004    -14.68403562
  H     17.81837887     12.14329026    -10.82387517
  O     18.06051163     11.95738738    -14.43129879
  H     13.02315831      6.57637139    -13.99692993
  H     16.71801360     11.54858595     -9.92296541
  O     13.54220267      6.57853988    -10.87184970
  H     14.52339867      6.24544053    -13.91317658
  H     12.61663261     12.14153494    -12.58619364
  O     16.93919541     12.31607879    -10.46632257
  H     13.66210297      9.63267492    -15.57190671
  H     13.89377443     12.68799986    -13.26296927
  O     12.95534996     12.51104015    -13.41123210
  H     14.21730149      8.20423322    -15.23053753
  H     14.42877388      5.99696390     -9.34079500
  O     15.11535891      5.74174220     -8.71036598
  H     11.69420755     11.23732811    -16.02821484
  H     15.75123342      5.22200560     -9.21794681
          69
 Energy    -250.91913160739995     
  O     12.54250409     10.19926355    -11.92766916
  H     12.99840509     10.11595278    -12.77182652
  H     14.59434663      7.46550864    -13.11326106
  O     12.95319519      6.85578830    -13.81750934
  H     12.03380557     11.01797175    -11.99223419
  H     14.74609939     14.45290957     -7.08768749
  O     11.27536547     12.61935538    -12.51256310
  H     12.87385234      6.15633967    -14.46156299
  H     14.95407440     14.15738544     -8.59269613
  O     14.33225987     10.08699757     -9.87164563
  H     12.50522246      7.63076589    -14.19798153
  H     11.47026612     12.70352433     -9.38394274
  O     14.80741071      7.31994667     -9.92993374
  H     11.04467304     12.90504719    -11.61726925
  H      9.94635828     12.79475707     -9.68135067
  O     14.19995757     15.78879791    -11.76202989
  H     12.16611505     12.94417642    -12.70434742
  H     11.31198323     10.62437323     -8.11231492
  O      8.64012019     10.02855134    -11.56946289
  H     13.68884254     10.10688873    -10.59866147
  H      9.81299640     10.58582037     -8.47076461
  O     13.93053392     13.27671163    -12.95151799
  H     14.55926464      9.15890103     -9.74133987
  H     15.38773166     11.22957976    -10.81056353
  O     15.93545530     14.26109204    -10.03402822
  H     13.96027731      6.95601825    -10.24754442
  H     16.20452350     11.28722106    -12.12639276
  O     10.77049447      8.53043773    -10.53869002
  H     15.17351871      6.67823592     -9.32785970
  H     12.60397932      9.74177786    -14.94553048
  O     12.49672995     15.43068811     -9.68418955
  H     14.23231753     16.70579061    -12.01985066
  H     11.10181401      9.62357687    -14.61489511
  O     15.37818439      7.82781066    -12.68194494
  H     13.53835750     15.71895731    -11.04976604
  H     10.26854451     11.60002439    -13.56851192
  O     14.30306972     14.13205048     -7.86850334
  H      8.91713398     10.26590124    -12.46105835
  H      9.26843988     11.38317913    -14.72597822
  O     10.80027407     13.20184991     -9.87552874
  H      9.27191664      9.36401137    -11.25992679
  H      7.60620168     11.77947918     -9.13206030
  O     10.56154172     10.02773219     -8.22717403
  H     14.02632056     14.20072046    -12.68846845
  H      8.48750512     11.11410636    -10.21613373
  O     15.81566295     11.83443848    -11.43322108
  H     14.54213097     12.77448522    -12.39358831
  H     14.88023907     10.57438045    -14.24457093
  O     11.87090186      9.11170514    -14.89015553
  H     15.49970553     14.85619859    -10.65593722
  H     13.91107037     11.76541355    -14.10593545
  O      9.76975014     10.92275844    -14.05668409
  H     16.04660949     13.42152845    -10.50073014
  H     17.35541001      9.89082535    -13.98836596
  O      8.50788693     11.68324562     -9.42549849
  H     11.38804043      9.05685216    -11.06638732
  H     16.18433823      9.23322883    -13.21437845
  O     13.96932794     10.84966867    -14.40691590
  H     10.72562328      8.94445985     -9.66341294
  H     12.57356119      6.49056490    -11.98287676
  O     16.54603586     10.08468290    -13.52408316
  H     13.04686700     15.10578138     -8.96049691
  H     11.78483002      7.03658691    -10.77549174
  O     12.50456909      6.43773780    -11.02186115
  H     11.77902864     14.78959474     -9.77168878
  H     13.35392111     11.21792077     -8.83747544
  O     12.75171748     11.84464349     -8.41248634
  H     15.28738616      7.63123215    -11.74199439
  H     13.28845787     12.58781261     -8.11040126
          69
 Energy    -250.91889229628077     
  O     12.54157255     12.29915715    -15.97651439
  H     11.95381389     11.76225483    -15.42506741
  H     15.58055049      6.86997776    -18.84825831
  O     15.13853887      7.32175301    -13.70997015
  H     13.11211424     12.79778091    -15.38290890
  H     17.71013305      8.44508617    -11.99928271
  O     15.46311789     10.58827923    -10.62991477
  H     15.06085745      8.19681389    -14.12071739
  H     18.26828992      9.87298838    -12.17619024
  O     16.96451337     12.68158252    -13.89230081
  H     15.55392287      7.45621545    -12.84799772
  H     16.89071413     10.69914915    -16.82576492
  O     13.19597128      8.75687557    -17.07734480
  H     14.93084629     10.83057952    -11.40439692
  H     17.81244623     10.06431865    -15.72625779
  O     13.16943534      9.65212896     -9.36881144
  H     16.32683624     10.99428793    -10.77098198
  H     15.61030053     10.11495561    -15.27725493
  O     12.45310887      7.32083213    -12.96255549
  H     17.09484362     12.09605543    -14.65176013
  H     14.21588130      9.51845168    -15.66281630
  O     13.88380758     11.17730033    -12.78055603
  H     16.10351399     13.09675059    -14.01177209
  H     10.90242424      9.69347226    -14.83668573
  O     16.76116350      6.86617447    -15.94660704
  H     13.12337838      9.58188488    -17.57690551
  H     10.99684914     10.44091285    -13.50700562
  O     13.63201467      6.95326826    -10.33288847
  H     13.90965592      8.24294620    -17.47908513
  H     10.53637977      7.40180172    -15.95176345
  O     18.83373115      8.62757869    -15.12926225
  H     13.07229290      9.93329767     -8.46222759
  H     11.89309292      8.13568370    -16.05991855
  O     15.43760428      7.53996681    -18.18566991
  H     14.01161888     10.01857845     -9.68486056
  H     17.56116456     12.04435924    -12.40453535
  O     18.35211662      8.96682298    -12.49689895
  H     11.93952810      7.38469337    -13.77694236
  H     18.57047265     12.20502823    -11.24258480
  O     17.17807393     10.77024823    -15.90298099
  H     13.37701535      7.23352452    -13.23976244
  H     15.92460573      8.81189517    -10.96191929
  O     14.78400334      9.75963326    -14.92272895
  H     13.06517048     10.75832029    -12.48656558
  H     15.36594240      7.38884523    -10.78883618
  O     10.92991341     10.58057033    -14.45881520
  H     14.19391215     10.68615972    -13.55720620
  H     15.16055838     10.74877328    -18.40297695
  O     11.18615966      7.88051375    -15.44295679
  H     16.20562100      6.83094595    -15.15635858
  H     15.90224198      9.39668734    -18.40495214
  O     17.88142594     11.63809704    -11.57817173
  H     17.52882807      7.39882644    -15.70514628
  H     12.02123393      9.76153853    -10.90863524
  O     16.11318555      7.88338308    -11.15522927
  H     13.10277302      6.90627766    -11.13852126
  H     11.94462974      8.89155595    -12.18788024
  O     16.03842568     10.35077406    -18.34996361
  H     13.37891332      7.77826249     -9.90082209
  H     13.87547363     14.31779989    -13.51680039
  O     11.71617179      9.76090390    -11.82349685
  H     19.76914146      8.48785791    -15.25013852
  H     14.05690031     12.78179665    -13.46675621
  O     14.22787330     13.57619766    -14.00335677
  H     18.68522406      8.71775176    -14.17025916
  H     12.85473242     11.69429017    -19.01871092
  O     13.30441973     11.24353360    -18.30961682
  H     15.93683543      7.26412367    -17.39522663
  H     13.04143264     11.68961306    -17.48261354
          69
 Energy    -250.91799386689610     
  O     15.78481830     11.54242069    -13.25493485
  H     16.50979122     11.03025520    -12.87409353
  H     13.94826633      6.13721634    -14.56405418
  O     17.27023944      8.81062053     -7.97581322
  H     15.43413728     12.06620799    -12.52523593
  H     11.82942275     11.51691705    -10.39574596
  O     16.66229087      5.90291123    -10.87248845
  H     17.64015065      9.18291377     -7.17892612
  H     12.12531208     11.46633169    -11.91376668
  O     13.30360851      5.12024147     -9.76326017
  H     16.81401355      9.53533640     -8.43462760
  H     14.40434198      8.64004604    -15.29726415
  O     18.68853069      7.85399760    -10.31844121
  H     16.13985925      5.18882923    -11.25982060
  H     15.26807627      7.73856699    -14.41585840
  O     17.45654860      9.93121965    -11.67296394
  H     16.16440897      6.22555015    -10.10763529
  H     15.96307023      7.40606181     -8.26562255
  O     14.80097655     12.84771829    -10.88327614
  H     13.78324532      4.72988659    -10.50489344
  H     14.57000260      7.61819402     -8.87206071
  O      9.84628881      8.45454684    -10.36112328
  H     13.94831834      5.62909363     -9.25815731
  H     12.66762447     10.43805387    -14.05040757
  O     15.80160077     10.63031791     -9.48330233
  H     18.35784893      8.11889414     -9.45138875
  H     12.55152526      9.53791851    -12.80253632
  O     13.30511171      8.16656894    -11.96640697
  H     18.18200537      7.06654353    -10.55620333
  H     11.01204183      6.05240893    -12.00882057
  O     10.71927868      5.75016201    -10.20020501
  H     16.90144805     10.20094763    -10.92842379
  H     10.69872176      7.09842864    -13.11238015
  O     13.60934561      5.38438955    -14.05967030
  H     18.06295483      9.26513305    -11.31773759
  H      9.10941165      9.04761158    -13.81434997
  O     12.25439237     11.99668811    -11.11652375
  H     13.86507521     12.58471031    -10.95229565
  H     10.54385088      9.35559540    -13.32239093
  O     14.66254891      7.72174979    -15.17209122
  H     14.81457371     13.79423326    -10.76991437
  H     10.63912508     10.67375895     -8.27599973
  O     15.22654265      6.93367058     -8.67081923
  H     10.13403929      7.54168659    -10.23369837
  H     10.62678433      9.70765623     -9.48558492
  O     12.08902140     10.22596461    -13.30721389
  H      9.72145453      8.57289424    -11.31024285
  H     14.40728875      4.57496762    -12.76306155
  O     11.28498940      6.36788982    -12.88039694
  H     15.00285596     10.08214641     -9.46073055
  H     14.91359530      3.21592535    -12.22965560
  O      9.78626874      8.75619141    -13.20922438
  H     15.53390336     11.47951405     -9.85645426
  H     14.74214581     10.94195707    -14.52062520
  O     11.15074474     10.39097891     -9.02881407
  H     12.74805584      7.44430791    -12.27755140
  H     14.27938905     11.09348528    -15.98598511
  O     14.79571278      4.13064559    -11.98765093
  H     14.20428440      8.02224762    -12.29369187
  H     12.75930876      9.47193742     -9.13916477
  O     14.10442147     10.61415148    -15.18039579
  H     11.64674477      5.54130142     -9.98753009
  H     13.42687195      8.69883625    -10.31200359
  O     13.56068734      9.00568266     -9.40102612
  H     10.18974816      5.05589018     -9.81661720
  H     16.23244579      7.11872223    -12.15501021
  O     15.94213202      7.84822996    -12.71717100
  H     12.71177689      5.62043902    -13.79184334
  H     16.45818504      8.61899671    -12.45061832
          69
 Energy    -250.91773734676613     
  O     14.73221789     12.12807031    -14.98645152
  H     15.69054046     12.10825645    -14.88316930
  H     12.50526391      7.31694806    -16.25475554
  O     14.36806052      6.68152771    -13.80568767
  H     14.51945001     11.53104145    -15.71565663
  H     18.81222885      4.70330051    -15.42408401
  O     18.07559611      7.80710024    -11.59474638
  H     14.86654013      7.42433628    -14.18279979
  H     18.00969128      5.97048200    -15.79313022
  O     18.25395757      9.43513972    -15.77466262
  H     13.83740908      7.04947207    -13.08668207
  H     16.57354261      8.89520691    -15.18777367
  O     11.55039817      8.96429104    -16.11511958
  H     17.58266603      7.07206157    -11.98945487
  H     15.08617919      9.30211958    -15.37713646
  O     15.03012335      8.67983985     -8.78557576
  H     17.99321990      7.71607584    -10.63792268
  H     13.66757141     12.06008697    -13.60410431
  O     13.01764041      7.95426193    -11.72818814
  H     18.81594590      8.96875053    -15.13349379
  H     12.66465479     12.83855442    -12.72241790
  O     16.71964451     10.01171840    -12.52016115
  H     18.14051402     10.33687623    -15.45714524
  H     16.52423566      5.90772518     -9.62739234
  O     14.92486500      7.66921831    -18.12003844
  H     11.53047366      9.18152835    -15.16519164
  H     16.20102147      5.27852098    -10.99998091
  O     13.47562835      6.36086508     -9.48000116
  H     10.66800839      9.10364398    -16.44740942
  H     12.04255682     10.44926514    -13.28591289
  O     17.51017715      7.07577096    -17.05796518
  H     14.40307054      7.95510969     -8.90217655
  H     11.96823188      8.95967920    -12.88265773
  O     13.16192004      6.61527398    -16.34904695
  H     14.79698356      9.34636299     -9.44476512
  H     19.22996599      7.88405387    -13.08138016
  O     18.35927147      5.45277731    -15.04618411
  H     13.53074063      8.73702853    -11.48084846
  H     19.31940521      6.97472631    -14.31831001
  O     15.69843977      8.85618537    -14.77909320
  H     13.03793669      7.36082349    -10.96743971
  H     15.85056834      5.92480920    -13.12496518
  O     13.06590265     11.98170365    -12.84265353
  H     16.25837845      9.61719964    -13.27770577
  H     17.27802930      5.47336410    -13.52397386
  O     15.90753060      5.31948225    -10.08024989
  H     17.26189109      9.30934688    -12.13573105
  H     16.61689272      7.94982011     -8.80944912
  O     11.62995428      9.60766712    -13.51452845
  H     14.31278779      7.20846283    -17.51753149
  H     17.89389486      7.50526028     -8.05583515
  O     19.57632778      7.84250731    -13.98217820
  H     14.71932316      7.37037545    -19.00227090
  H     13.91050803     10.94396801    -11.52091565
  O     16.71162189      5.66430761    -12.76620381
  H     14.30896456      5.91201711     -9.71108948
  H     15.27999024     10.23548718    -11.48121016
  O     17.44624502      7.44596100     -8.89519640
  H     12.96743919      5.74722608     -8.95692981
  H     18.12602377     12.54912414    -14.06201524
  O     14.42063215     10.28356100    -11.03676113
  H     16.64020811      7.24248514    -17.43874591
  H     17.34073923     11.29355147    -13.61760322
  O     17.55002253     11.85856073    -14.38115449
  H     17.87242580      7.94215981    -16.82629103
  H     13.16788722      9.73921356    -16.57504195
  O     14.07960782     10.01245370    -16.74889449
  H     13.52045428      6.46535235    -15.46403822
  H     14.44498959      9.35445383    -17.35455799
          69
 Energy    -250.91479163896844     
  O     16.88186365     10.34147262    -11.05303416
  H     17.02889427      9.41135173    -10.83392576
  H     13.51199412      8.71276583    -14.79195563
  O     16.10247680      5.82644950     -7.34119898
  H     16.49393392     10.74552411    -10.26890031
  H     12.83081794     11.91561943    -10.03602552
  O     15.22686982      6.13548075    -11.86970971
  H     16.93880048      5.69157867     -7.80512987
  H     12.43788329     11.25120169     -8.69706236
  O     16.47065485      3.99618274    -10.53522736
  H     15.94720627      6.77885186     -7.35425683
  H     14.61863061     11.37749803    -13.98032842
  O     14.42695211      4.02099248     -8.52076479
  H     15.07669736      6.75585276    -12.59378165
  H     13.32664354     10.87695820    -14.64746292
  O     17.00828571      7.63574574    -10.31521503
  H     14.39160281      6.02613821    -11.39320438
  H     17.73564343      4.83760042     -9.66715167
  O     15.72400521     11.31567448     -8.61368731
  H     15.76566984      3.82332100     -9.89851745
  H     19.16681976      5.02306997     -9.10385966
  O      9.78431709      9.23128985    -10.21890406
  H     16.09940461      4.63141921    -11.16353768
  H     12.99198246      6.55482513     -9.69070892
  O     15.75338325      8.57175154     -8.01420940
  H     14.96863059      4.67102280     -8.03845882
  H     13.35096813      5.05252101     -9.66658130
  O     13.22039183      9.12916752    -11.46840403
  H     14.16388889      3.35938237     -7.88652206
  H     11.35309786     11.60179232    -11.99794209
  O     11.16713123      7.28276135    -11.77054550
  H     16.37785739      7.14881438    -10.86424378
  H     12.77096320     11.82860844    -12.60862169
  O     12.83412364      9.10981796    -15.36336703
  H     17.61206333      6.97972479     -9.94578198
  H     11.17430216      8.94180190    -14.49086434
  O     13.11889917     11.78546258     -9.12186699
  H     16.07599299     12.07940198     -8.16414597
  H     10.53767618      8.15633701    -13.31973272
  O     13.69023745     11.60116853    -14.12484790
  H     14.78697824     11.50822296     -8.79760559
  H      8.90718239     11.46451461    -12.83387903
  O     18.30626853      5.43023849     -9.14414642
  H      9.62402240      9.88592781    -10.90946122
  H      9.86242190     10.26604967    -13.05465339
  O     12.97866807      5.74525105    -10.22535013
  H     10.12256633      8.44836644    -10.67199777
  H     10.63899555     10.02378440     -7.28667453
  O     12.28238514     11.73904157    -11.77604771
  H     16.19746124      8.24427153     -8.81161795
  H     10.64356675      9.71153592     -8.80311619
  O     10.37843251      8.87243671    -13.94946074
  H     15.79236010      9.53527363     -8.06439161
  H     17.14348111     10.91872342    -14.10250448
  O      9.64517267     10.99915660    -12.45005518
  H     12.90721141     10.04067876    -11.52889125
  H     16.54562293     10.58800494    -12.71584764
  O     11.21000484      9.94921953     -8.04612241
  H     13.29546645      8.89650251    -10.53449363
  H     12.52288009      8.71356633     -8.44335266
  O     16.34735289     10.62305051    -13.66979831
  H     11.84703744      7.97523428    -11.75161611
  H     14.03618760      8.29682166     -8.45633833
  O     13.17264075      8.13400638     -8.85909921
  H     11.57822940      6.52732935    -11.33580761
  H     15.42453284      8.99730703    -13.68695158
  O     14.75724602      8.31227991    -13.55252446
  H     13.00205435      8.79387818    -16.24801887
  H     14.23022712      8.60390111    -12.78826187
          69
 Energy    -250.91467122645321     
  O      9.51897996      6.92713469    -10.55417770
  H      9.13293902      6.07734335    -10.30870987
  H     11.22380012      8.95348324    -13.44802898
  O     11.63389334      8.65825649    -10.43747517
  H      8.85712258      7.60221182    -10.35662734
  H     11.81778435      4.47595096    -10.52650312
  O     12.35306153      7.42619774    -13.98305986
  H     11.76419147      8.90969844     -9.51597843
  H     12.81891954      5.66415374    -10.64498839
  O      8.99503022      9.50696290     -7.59114158
  H     10.92993752      7.99027790    -10.44269055
  H     14.40827739      5.28476812     -7.09198348
  O      6.05888721      5.37493821    -11.87464532
  H     12.92884213      7.30794152    -14.73409625
  H     14.36072116      5.21154293     -5.54519143
  O      6.86157522      5.23638638     -7.72423859
  H     12.89636431      7.28578812    -13.18893938
  H      8.97712470      9.66639683    -12.80593321
  O     14.90909573      4.78174804     -8.68759197
  H      8.55405278      9.39746835     -8.45062748
  H      7.68880166     10.44080387    -13.16835803
  O     13.59883471      7.13928369    -11.55376426
  H      8.50572419     10.17604200     -7.11844305
  H     12.33140974      5.91823407     -7.04624727
  O     10.03937070      6.01964562    -13.16062628
  H      6.51709063      5.95653825    -12.50749602
  H     11.79741626      5.73558146     -8.48994091
  O      8.11819089      4.51506959    -10.13735847
  H      5.41961815      4.87500006    -12.37466245
  H      8.33559638      6.60852665    -13.57778260
  O     15.74828434      7.32760529     -9.76325953
  H      6.48470046      4.76049037     -6.98976062
  H      7.56841275      7.91766500    -13.29817130
  O     10.71243473      9.56082976    -12.90249508
  H      7.60643034      5.75720618     -7.37102618
  H      8.93355841      7.65872989     -7.05660731
  O     12.46800128      5.00091383    -10.03855483
  H     14.07895649      4.66321601     -9.17193880
  H      9.84230062      6.41048086     -7.12944660
  O     14.03708482      5.70401403     -6.29398925
  H     15.34506916      5.53428707     -9.10511042
  H     10.86863018      9.24986085     -7.57107711
  O      8.01037027      9.68210927    -12.68793965
  H     12.96562358      7.74639335    -11.13706377
  H     11.69306390      7.94294154     -7.65918129
  O     11.58817960      6.12176228     -7.62790240
  H     14.41936630      7.20736682    -11.05053500
  H      5.76121472      6.54590369    -10.41672212
  O      7.44741816      6.98956811    -13.52915669
  H     10.81957613      6.44677647    -13.53286186
  H      6.05942736      6.50098620     -8.90928403
  O      8.94783584      6.70632013     -6.91147955
  H      9.90101452      6.40461168    -12.28129258
  H      9.66004559      3.80619649    -10.97618210
  O     11.76334573      8.91043285     -7.69440769
  H      7.71821504      4.61702516     -9.26480533
  H     10.35894580      4.36253975    -12.22548735
  O      5.81168008      7.09854693     -9.62621932
  H      7.42071929      4.71161421    -10.77789907
  H      6.96154311      8.40952115     -9.85292928
  O     10.48261018      3.75882125    -11.48150456
  H     15.32550436      7.72781701     -8.98202693
  H      7.72954372      9.32407238    -10.87793051
  O      7.72477257      8.99882688     -9.96942018
  H     16.62890883      7.68981598     -9.81273917
  H     14.40955921      7.46989362     -6.96736075
  O     14.51044061      8.25338648     -7.52314981
  H     11.05829769      9.44088273    -12.00655003
  H     13.64322515      8.67765033     -7.53535991
          69
 Energy    -250.91393052511586     
  O     16.91259983      8.32015008    -14.72168201
  H     17.02742747      8.70044010    -15.60142706
  H     13.91050812     10.09139711    -13.92240395
  O     16.64000951     14.41610752    -15.92476538
  H     16.14113028      8.75976797    -14.34313423
  H     16.91001615      9.40511431    -18.07885355
  O     21.79284043     10.79232176    -16.03933791
  H     16.83229494     14.85464989    -15.08714586
  H     17.97172469     10.24811814    -17.33554821
  O     19.48965145     13.94963158    -10.53569680
  H     16.37582260     13.51021009    -15.71162579
  H     20.82695413     11.05083133    -10.28410469
  O     15.82491883     10.96267293    -11.18655042
  H     21.64226367     11.58789117    -15.49742107
  H     19.81065247     12.15574736     -9.91683230
  O     22.46015306     10.84911068    -11.24038851
  H     22.64303073     10.90241958    -16.45906915
  H     21.06107609     13.64829925    -11.41693439
  O     18.06741238      9.35423897    -10.42976991
  H     19.42845617     14.90807609    -10.61860653
  H     22.22744089     12.64747954    -11.62769997
  O     19.35475208     11.27502945    -17.47160679
  H     18.70843840     13.60325059    -10.99452632
  H     18.64332688      8.99975362    -12.15484048
  O     19.94895972     15.27238326    -15.16320309
  H     16.52024969     10.35825809    -10.89709073
  H     18.28853968      8.61661430    -13.63254407
  O     19.29479776     16.67151067    -11.41341088
  H     15.44231045     10.57615995    -11.98378437
  H     17.99938329     14.22841680    -16.99083892
  O     21.10433147     12.88102712    -14.47370824
  H     22.20852582     10.35051203    -12.03853013
  H     18.70151075     14.53759652    -18.33432223
  O     14.84242160     10.05830293    -13.71905051
  H     23.21397420     10.40293925    -10.86392939
  H     21.12012211     15.96354290    -13.80193761
  O     17.14143804      9.75068700    -17.22115845
  H     18.02427487      8.73819628     -9.70288034
  H     21.83926652     15.30975421    -12.60018921
  O     19.96509969     11.20443050     -9.87794605
  H     18.72905942     10.02709948    -10.18738753
  H     18.11433309     15.97952445    -12.78679324
  O     21.88121414     13.50291445    -11.91187263
  H     20.18606071     11.06736672    -17.02908698
  H     17.47859382     14.59191831    -12.96228773
  O     18.98372006      8.97056683    -13.05781670
  H     19.25424296     12.23430688    -17.46111034
  H     21.73998843      9.78357701    -14.36245073
  O     18.83265267     14.12164209    -17.48565277
  H     19.65247185     15.00849160    -16.04285355
  H     20.76323994      9.18263709    -13.32549857
  O     21.49405930     16.14943969    -12.93052140
  H     19.15922769     15.31407551    -14.60344279
  H     19.52651962     11.98573388    -14.13710605
  O     17.71862367     15.39687286    -13.44578449
  H     20.11980592     16.58711234    -11.92402678
  H     18.82818684     10.68345772    -13.62322458
  O     21.67133845      9.49701203    -13.44598635
  H     19.31516387     17.52874104    -10.99671955
  H     16.46707635     11.08061021    -16.11403225
  O     18.67493686     11.59120851    -13.91826471
  H     20.73556694     13.71756368    -14.78666457
  H     17.16929899     11.68485190    -14.88083365
  O     16.33308625     11.68657558    -15.37346678
  H     21.43613384     13.03990883    -13.57989183
  H     17.87013782     12.53339065    -12.66911116
  O     17.36486980     13.05632804    -12.02859149
  H     15.27428343     10.72240286    -14.28218617
  H     16.71846462     12.45059509    -11.64221391
          69
 Energy    -250.91334890996109     
  O     15.19608168     13.16010795     -9.22646728
  H     16.10591779     13.13390061     -8.90224906
  H     13.26862047     14.07709769    -14.30379029
  O     16.78457436      8.79338746    -11.30372706
  H     14.77612028     12.33406595     -8.95340654
  H     13.01751575     14.49983582    -11.94433240
  O     16.67616613     16.16696385    -11.74046587
  H     17.29840627      9.48367438    -11.75097571
  H     11.55399920     14.43469635    -12.43560108
  O     14.28640901     11.20054610    -15.27696802
  H     16.78215968      8.02612248    -11.88833458
  H     20.90860732     12.95574761    -12.76446389
  O     16.54215485      6.77339493    -13.24210853
  H     16.54610096     15.67365205    -12.57022021
  H     19.55839300     13.43598789    -12.18223060
  O     16.43971372      8.20135963    -15.54279946
  H     16.89883694     17.06168769    -11.98600383
  H     13.58362530     10.24256323     -7.94512602
  O     15.86074855     12.47499259    -11.89256353
  H     15.25350180     11.14895173    -15.26910514
  H     14.06420582     10.11363473     -9.40887779
  O     14.05574892      9.36246255    -11.01152225
  H     13.96345862     10.32555552    -15.52662905
  H     13.55922535      8.14209296    -14.76481359
  O     17.05883883     10.91134804    -15.15034622
  H     16.97875099      5.93833374    -13.38615631
  H     12.92656520      8.04191954    -16.17331569
  O     18.38271025     13.32826501    -15.25598793
  H     16.58902776      7.26424344    -14.08270336
  H     16.11661507     10.22458758     -8.60310907
  O     13.41759352     11.44256859    -12.68358200
  H     16.76474354      9.11182076    -15.53507193
  H     17.07521048      9.59216566     -9.62445187
  O     13.84970393     14.02047249    -15.07238531
  H     15.49976307      8.25989630    -15.75248533
  H     18.44018619     13.78833589    -10.15232456
  O     12.41565886     14.04570376    -12.56023315
  H     15.03270480     12.08654426    -12.20427978
  H     18.03492297     14.95837852    -11.09077724
  O     19.96431164     12.87506264    -12.86742354
  H     15.69660396     12.76978319    -10.98955198
  H     17.27910566     11.49636083    -12.23556351
  O     14.21493117     10.58586291     -8.57203907
  H     15.00265326      9.20487676    -11.14697505
  H     18.78123826     11.45872388    -12.62344446
  O     13.58144641      8.51275608    -15.66500126
  H     13.77785208     10.07503093    -11.60766313
  H     14.94162851     15.64606441    -11.08100059
  O     17.04820422     10.16446004     -8.84680334
  H     17.35387341     10.77086089    -14.24081522
  H     14.40040753     14.57389103    -10.12236195
  O     18.71705924     14.29787091    -10.92353124
  H     17.51254827     11.71949703    -15.42715389
  H     14.65669739      7.09593479    -13.12646172
  O     17.99907015     10.90587194    -12.51142594
  H     17.66820803     13.84604297    -14.85992704
  H     13.68928217      8.01871298    -12.36499717
  O     14.12854815     15.21366075    -10.79470137
  H     19.03053888     13.21611834    -14.55001692
  H     18.42246886     12.81946315     -7.86426375
  O     13.76563170      7.46789346    -13.15273604
  H     12.95095748     12.28472040    -12.60366641
  H     17.70875375     11.78589362     -8.76451674
  O     17.91251817     12.73320339     -8.66602384
  H     13.65670351     11.32519633    -13.61507498
  H     16.16606495     13.76997720    -13.16094790
  O     16.24118409     14.48019512    -13.81473794
  H     13.90990227     13.08320783    -15.30035144
  H     15.43783081     14.44009620    -14.35329429
          69
 Energy    -250.91309464962325     
  O     -4.25884047     -0.33232936      3.54141659
  H     -4.19697700      0.53573901      3.96026658
  H     -4.87360730     -4.06706899      0.12748278
  O     -0.47893056      2.89983759      2.86943733
  H     -3.34684065     -0.58600073      3.34141915
  H     -3.88754025      1.95856018      0.43692857
  O     -1.56544955     -0.60644681      2.95153358
  H     -1.25244947      3.46563917      2.73895961
  H     -3.43082824      2.64504027     -0.87678569
  O     -3.16672250     -0.14428545     -2.46566214
  H     -0.44707699      2.31923122      2.09757992
  H     -7.03614653      3.66720231     -0.27576670
  O     -0.84118653     -1.06547099     -1.09350569
  H     -1.37772397     -0.02538076      2.19853594
  H     -7.96189572      4.83505465      0.13118718
  O     -5.03183645      0.85679942      1.17333794
  H     -1.29872039     -0.11529037      3.73743709
  H     -0.80510544      0.40257657      0.08104416
  O     -7.37079336      2.05183702      2.19327030
  H     -3.88456774     -0.55012211     -1.95978652
  H     -1.73859122      1.57830698      0.46067816
  O     -7.84645936     -0.12520989     -1.39738563
  H     -2.34523439     -0.45387752     -2.06702303
  H     -6.63879193      3.21868321      5.46154115
  O     -3.68669573      2.25773454      4.48790626
  H     -0.08449332     -1.50613870     -1.47088780
  H     -5.38130847      2.81325821      4.66127436
  O     -4.05017050      2.39682487     -2.62492819
  H     -1.20392891     -1.66294750     -0.41425314
  H     -3.83497298      4.53739042      2.46691900
  O     -5.27271067     -1.01676365     -0.84673879
  H     -5.87047752      1.26675772      1.41958262
  H     -3.07295311      3.57259258      1.52838827
  O     -4.61523945     -3.26663401      0.57876601
  H     -4.72463925      0.37895140      1.95478638
  H     -5.90232197      4.59119503      3.31226700
  O     -3.21243955      2.54267376      0.05552700
  H     -7.08173769      2.36182153      3.06025216
  H     -6.08488957      4.90290972      1.81573231
  O     -7.28591745      4.25004484      0.46372798
  H     -7.46108175      2.83209585      1.63021560
  H     -5.77343584     -2.58610734      1.98714993
  O     -0.98582721      1.05336915      0.76947141
  H     -8.62351377     -0.39851944     -1.87636165
  H     -5.68028498     -1.51248208      3.07544631
  O     -6.29484090      3.13243807      4.57582824
  H     -8.03498818     -0.26519168     -0.44984887
  H     -0.75335906      1.92927968      4.28416707
  O     -3.04117372      3.98784503      2.40206429
  H     -3.46428849      2.83449825      3.74040071
  H     -0.41531095      1.40076143      5.70061979
  O     -5.54555344      5.11768708      2.58716937
  H     -2.84621355      1.95300744      4.85005853
  H     -8.08707516      0.40560870      1.66690875
  O     -6.31234234     -2.04346889      2.57401738
  H     -3.70615348      1.48508838     -2.64456882
  H     -7.61453203     -1.06414539      1.71817494
  O     -1.05140911      1.33040938      4.99428606
  H     -3.76868342      2.81655636     -3.43312940
  H     -1.76197512     -2.05664457      1.73535979
  O     -8.20264193     -0.45637003      1.24675062
  H     -5.15681777     -0.37641757     -0.12772744
  H     -2.79755232     -2.84905274      0.88995281
  O     -1.88052397     -2.54990212      0.91367724
  H     -6.15602652     -0.84926939     -1.19761998
  H     -7.06980954      1.62268931     -1.52302235
  O     -6.67327782      2.50152967     -1.49962394
  H     -4.86879151     -2.52538546      0.00260245
  H     -5.81524446      2.44025702     -1.93617215
          69
 Energy    -250.91295580117435     
  O     15.54014387     10.27998515     -8.89477261
  H     15.69148196     10.55368412     -7.99381864
  H     14.18260745      8.03612751    -13.84557889
  O     12.89361453      6.36959800    -11.29948377
  H     16.41552373     10.10815228     -9.28890887
  H     15.83666147      5.83587122    -15.07322871
  O     17.45033683     10.29158487    -12.77669178
  H     13.38677861      5.68726120    -11.77044530
  H     14.35040815      6.28713754    -15.08409954
  O     17.40850659      9.20948794    -15.30298613
  H     13.52164296      6.78780854    -10.69535516
  H     17.48439961      7.42755603    -14.83535380
  O     16.15178617     12.77666442    -12.81061402
  H     17.59939612      9.97551735    -13.67907917
  H     17.99598099      6.12559574    -15.50221381
  O     14.93097854      7.71094966     -9.90181456
  H     17.09480511     11.18870293    -12.83439912
  H     15.95604317      9.25221184    -12.58648618
  O     14.76747517      9.60769144    -16.20657395
  H     17.90200073      9.07532865    -16.12489724
  H     15.12266763      8.31633710    -11.65478968
  O     14.18032506     11.74719380    -14.62985612
  H     16.49569804      9.39560422    -15.56022565
  H     14.26054787      3.50036183    -12.78393567
  O     15.88333573      5.70389090    -17.92500569
  H     15.56262489     12.60319035    -12.05370960
  H     14.56144463      4.72314959    -13.67714573
  O     11.35295284      8.03246233    -12.78973711
  H     16.45298203     13.67720653    -12.72644222
  H     13.73073139      9.89223966    -12.44884466
  O     17.06318436      5.48476759    -12.15431487
  H     14.97634731      8.57625172     -9.47478663
  H     12.20496156      9.75895006    -12.51611056
  O     13.55198210      7.76965422    -14.53538307
  H     15.80009136      7.30364769     -9.78614005
  H     17.45882313      6.29020575    -10.70490372
  O     14.93321224      5.52901192    -15.24388499
  H     14.57031347     10.45375890    -15.77734960
  H     18.10130072      6.20206320     -9.30052321
  O     17.51858180      6.46658378    -14.73515958
  H     14.25762854      8.93945997    -15.72858750
  H     18.99859174      4.94129502    -17.63984593
  O     15.14462775      8.73325000    -12.52456986
  H     14.87767631     12.19197679    -14.13405065
  H     17.59466559      5.59130649    -17.56279568
  O     14.45214549      4.43505984    -12.75594225
  H     13.58424587     11.38165007    -13.96313660
  H     17.91018449      8.63647817    -10.06386493
  O     12.91073273     10.41031103    -12.44669596
  H     15.69669601      6.61392266    -18.19023413
  H     17.86352631      9.84277120    -11.03848947
  O     17.58016347      6.76754476     -9.86367413
  H     15.39707063      5.55054190    -17.10485727
  H     15.20769307      8.90155214    -19.31011969
  O     18.51342874      5.66020580    -17.24486440
  H     11.84892643      7.42681195    -12.20826063
  H     15.26967690      8.93540087    -17.76760075
  O     17.86041632      9.59970501    -10.10217763
  H     10.43430760      7.78874667    -12.72094652
  H     13.75517049     11.59335973    -11.27059983
  O     15.60904035      8.47786248    -18.55538935
  H     16.19632370      5.08008218    -12.27035803
  H     14.78260793     11.49750792    -10.11869210
  O     14.45864144     12.07835258    -10.81779259
  H     17.32241410      5.82757149    -13.02010677
  H     18.59539422      7.55016297    -17.67042212
  O     18.38857142      8.48806470    -17.76689232
  H     12.67992423      7.83404966    -14.13052775
  H     17.51470250      8.51982485    -18.17742173
          69
 Energy    -250.91242746308149     
  O     10.49107243      9.92876111     -8.79803616
  H     10.55232502     10.64357061     -9.44702951
  H     12.03291063     11.22277245    -10.75264982
  O     13.42672251      8.54450036    -16.70180752
  H     10.42301162      9.12435345     -9.32317081
  H     14.14584200     12.82967347    -13.14253970
  O     10.71798470      7.62394460    -10.56633770
  H     13.84524979      8.32503210    -17.52973338
  H     14.47104613     11.40130718    -13.62379811
  O     13.72538264      7.79153177    -14.02232191
  H     13.43768192      9.51582577    -16.62962979
  H     16.39045831      7.72140288    -11.53405076
  O     13.52473825     13.06254782     -7.57836682
  H     10.31934404      6.77820547    -10.37486744
  H     17.89722558      8.06219585    -11.63409693
  O     13.24315479     11.24761697    -16.42156929
  H     11.64211235      7.57267313    -10.26689310
  H     14.42038654      6.91015557    -11.09012953
  O     11.22157323      8.61389678    -13.17651169
  H     13.70398831      7.92603598    -14.97796908
  H     14.59260482      6.85994598    -12.62358106
  O     14.60159689      8.35492315     -7.42386292
  H     12.84436233      8.02009432    -13.69025119
  H     13.41555846      8.69472350    -10.16597899
  O     13.62754438     10.36019124    -10.79196007
  H     13.50351070     13.70036130     -6.87009673
  H     13.75618877      7.78620166     -8.96887512
  O     12.78401633     10.31187932     -7.26528678
  H     13.06545313     13.46780209     -8.33578586
  H     10.83150118     11.48584388    -14.41227767
  O     14.73123159     13.81199074    -11.62886417
  H     13.55939988     11.68728947    -15.62232121
  H     12.14960147     11.69656902    -13.61880738
  O     11.20406730     11.72402354    -10.80995503
  H     12.29194569     11.41043808    -16.45729669
  H     14.86378980     12.46253782     -8.73670339
  O     13.91849489     12.17489237    -13.81326254
  H     11.20554692      9.58106169    -13.19073745
  H     15.89859557     11.40049841     -9.25459604
  O     17.04413752      8.43640630    -11.42968359
  H     10.94570712      8.32015890    -12.30065926
  H     14.75217170      9.14641012    -13.43449789
  O     15.03609100      6.65292181    -11.79033090
  H     14.72076477      7.95248341     -6.56846778
  H     15.96860663      9.51838612    -12.54192477
  O     13.34994500      7.78171655     -9.84414249
  H     13.94955504      9.07321886     -7.31018254
  H      9.63364977     11.57418554    -16.74026402
  O     11.23001509     11.40470082    -13.53802261
  H     14.18429130     10.93140785    -10.24722367
  H     10.37509424     10.33011387    -16.18995147
  O     15.36269559     12.16770111     -9.50936342
  H     14.11639284     10.21024022    -11.61102312
  H     15.96532981      9.24851558     -8.41741692
  O     15.22887066      9.89022150    -13.03700133
  H     11.94788720     10.16735332     -7.73206906
  H     16.74843930      9.29611654     -9.75539803
  O     10.38274790     11.30407327    -16.21689540
  H     12.97210805     11.25529069     -7.30783478
  H     11.86267987     13.30907026    -10.18377482
  O     16.55039257      9.79704646     -8.95467368
  H     15.04262637     13.22621251    -10.91747542
  H     13.12278528     14.11997336    -10.53042161
  O     12.43103323     14.02603799     -9.86601100
  H     15.37770788     14.51026356    -11.70574635
  H     11.53378905      8.44021728    -16.30136831
  O     10.64876775      8.61026192    -15.95511548
  H     10.98059783     11.73065392    -11.74903052
  H     10.70753910      8.46304779    -15.00133954
          69
 Energy    -250.91166123090539     
  O     10.42138206     10.31484144    -11.88241002
  H     11.37847987     10.41648986    -12.01796857
  H     15.94962538     11.96931028    -15.12637466
  O     14.38182992      7.72471446    -15.60994875
  H     10.10927957     11.13290635    -11.50462484
  H     16.04738222      9.27240666    -13.14118896
  O     17.43941341      9.91919704    -10.20460653
  H     15.03009400      8.05670189    -14.96672523
  H     17.10989356      8.51818273    -13.99423295
  O     18.85709051     10.82509291    -15.71991412
  H     14.88364135      7.46391657    -16.39043439
  H     10.50002788      8.50749934    -11.20325331
  O     12.79039539      9.90521560    -15.24707296
  H     16.87066147     10.33082089    -10.87844107
  H     11.72310736      7.59367912    -11.00726180
  O     13.37172083      5.98844030    -13.68020783
  H     17.64316812     10.59669149     -9.56525202
  H     18.08705940      4.84025419    -10.78681547
  O     15.81984724     10.85761143    -12.16600470
  H     19.52907074     11.27616911    -16.22413224
  H     17.21781285      5.60614026    -11.81057159
  O     16.89238161      9.91316771    -17.33643886
  H     18.20564905     10.48251390    -16.36016616
  H     10.56433867      6.69544900    -12.57313655
  O     18.87278118      8.35309897    -14.38626357
  H     13.28477298      9.09640406    -15.44955669
  H      9.86353684      5.66086230    -13.48582243
  O     16.26025249      7.13281096    -17.58808343
  H     11.86939063      9.64605999    -15.09927836
  H     18.65940122      8.80772220    -11.15289911
  O     17.74411385      6.10429847    -15.57552857
  H     13.63449970      6.53131917    -14.43816460
  H     18.80842560      7.29979569    -11.41827320
  O     16.61983747     12.09629026    -14.44340347
  H     12.40678457      5.97740126    -13.66796149
  H     15.19732772      5.55797269    -13.32252458
  O     16.18409548      8.51080492    -13.71392094
  H     16.11364058     11.39119218    -12.92101878
  H     16.16797452      6.74878344    -13.25761467
  O     10.75730346      7.58587410    -11.07926536
  H     14.85562761     10.80990255    -12.18559873
  H     16.36266742      8.37369348     -9.95912367
  O     17.78653320      5.71230450    -11.02903291
  H     16.07206584     10.37053471    -17.11394728
  H     16.48376635      6.86512103    -10.21773130
  O     10.56709291      6.30444893    -13.46567762
  H     16.67145209      8.98578396    -17.48072262
  H     13.94345559     10.99071207    -16.03790631
  O     19.15130358      8.16402916    -11.67756512
  H     19.03701892      9.22761578    -14.75806264
  H     14.24733728     12.14717227    -17.01279587
  O     16.12826964      5.78031711    -13.20302312
  H     19.11380538      8.34934880    -13.44643117
  H     14.31733806      7.63289118    -10.90084182
  O     15.84789636      7.55885016    -10.00758177
  H     16.32756308      6.59963425    -18.37517254
  H     13.56661428      7.09440219    -12.16953202
  O     14.66242387     11.49230295    -16.45618239
  H     16.83079578      6.71752955    -16.91550783
  H     13.05467375     10.16631043    -13.43308214
  O     13.52376893      7.73230385    -11.44658077
  H     17.22474119      5.78270571    -14.82946690
  H     13.27781461      9.36335758    -12.10801411
  O     13.12366108     10.25055529    -12.47198913
  H     18.29097586      6.82272017    -15.22433772
  H     10.36436362      8.07595350    -14.23577768
  O     10.32809503      9.01471498    -14.45601310
  H     17.44266618     11.74939912    -14.80911840
  H     10.17951273      9.47513716    -13.62064504
          69
 Energy    -250.91155987054884     
  O     -5.45599992      4.25590732     -1.44164995
  H     -4.60717511      4.59032709     -1.11251200
  H     -6.42667992     -0.51298027     -1.77947159
  O     -0.91002336      4.10000159     -2.22632203
  H     -6.00453586      5.01960744     -1.60659586
  H     -6.06106933     -1.56102068      0.34162641
  O     -5.66721704      1.88667863      0.14447437
  H     -0.27978102      3.73669919     -1.58879886
  H     -6.13648663     -2.75896402      1.32085034
  O     -3.20543215     -1.80591701     -0.44684676
  H     -1.57231751      4.57100626     -1.70915715
  H     -2.03317503      1.67507740      2.20109814
  O      0.35137921      0.05432409     -1.01623786
  H     -4.83572299      1.54101274     -0.21931640
  H     -3.03718681      0.64991074      2.76946253
  O     -2.27749600      1.94988335     -3.25842014
  H     -5.78821317      2.74234080     -0.27886365
  H     -1.07391502      2.84445744      0.49824070
  O     -3.20029932     -1.59405150     -3.19232323
  H     -2.44066257     -1.73411195      0.14126964
  H     -2.44946802      2.16111766      0.26660461
  O     -0.80091080     -0.43417248     -3.55786380
  H     -3.98239605     -1.99038023      0.09590978
  H      1.39072018     -2.45475092      3.35361292
  O      0.55422239      2.70698215     -0.23854719
  H     -0.20705808     -0.36558260     -0.34680845
  H      0.97831226     -0.97327717      3.16158256
  O     -1.05182463     -1.13783145      1.10846354
  H     -0.00746866     -0.16485614     -1.88385703
  H      1.04025664      1.26727648      3.19819876
  O      2.56905297     -0.27837276      0.72139845
  H     -1.74193251      2.71229448     -2.99386593
  H     -0.39680575      0.77728726      3.52582656
  O     -6.72102421     -0.51145713     -0.86068102
  H     -1.68481297      1.22657339     -3.49189459
  H     -4.04304157      2.24598595     -3.58378068
  O     -5.56875332     -2.05308327      1.02495119
  H     -4.05752203     -1.19178447     -3.37497914
  H     -5.21176821      2.96376403     -2.87603283
  O     -2.09574075      0.87726190      2.74328683
  H     -3.21370144     -1.83434246     -2.25423219
  H     -5.16982735      0.98706104      1.79708279
  O     -1.99675423      2.84183891      0.79043434
  H     -1.65246492     -0.90251019     -3.47691736
  H     -5.04759156     -0.51653744      2.07660893
  O      1.17238977     -1.80546966      2.69124268
  H     -0.35233345     -0.80432463     -4.31332887
  H     -6.29773909     -0.47756993     -4.28704073
  O      0.53970087      0.62340699      3.71329708
  H      1.17822885      2.67561911      0.49653972
  H     -5.52149299      0.63459303     -3.54760264
  O     -5.00943370      2.29686696     -3.54044657
  H      0.49828041      1.80499589     -0.58989154
  H     -2.95012180      1.25410757     -1.69096756
  O     -4.77313027      0.34853962      2.40296888
  H     -0.32958014     -1.53187812      1.61182545
  H     -3.23905830      0.03720970     -0.74281754
  O     -5.73844728     -0.31454564     -3.53144681
  H     -1.43883654     -0.44848164      1.66762806
  H     -2.68814645      4.31782384      0.12704991
  O     -3.23932489      0.99961599     -0.80521757
  H      2.22033851     -0.92686908      1.34636453
  H     -2.80778332      5.85833043      0.13399372
  O     -3.00239399      5.08243530     -0.38659973
  H      1.93762953     -0.24669512     -0.00992259
  H      2.46798955      1.28957055      1.50618948
  O      2.25394777      2.14107830      1.92949768
  H     -6.53618119      0.37553790     -0.52232670
  H      3.08040553      2.51909173      2.21890983
          69
 Energy    -250.91133573480448     
  O     11.92992702     10.50974284    -16.01913420
  H     12.29009432     11.30963092    -15.61559638
  H     16.49721204     12.25525072    -14.84369429
  O     16.01891462      6.89753590    -12.77774423
  H     11.47842879     10.01667273    -15.32268795
  H     16.26739626      9.38113985    -14.56657154
  O     16.10152870     11.16459681    -11.06149986
  H     15.16605598      6.77381878    -12.33968563
  H     15.48685610      8.36158757    -13.72204411
  O     14.13138242      6.32212927    -16.50108481
  H     16.56628875      7.46201186    -12.21351381
  H     11.26650004      7.96411492    -14.21207232
  O     12.89371038      9.21235064     -8.99295714
  H     15.81860330     11.10877386    -10.14079614
  H      9.81264040      8.49073678    -14.18988144
  O     13.48545766      6.78924204    -11.68551741
  H     15.29570130     11.19130353    -11.59840629
  H     16.91190688      8.20030793     -9.68452719
  O     13.95972483     11.03538875    -12.78281101
  H     13.83216936      5.88277297    -17.29372266
  H     16.07400473      8.95345330     -8.63543311
  O     17.87612739      8.94907396    -15.58518030
  H     14.08869580      7.27741740    -16.67645931
  H     12.97284026      6.39069707    -14.95816167
  O     14.09662050      6.59476229     -8.96425759
  H     13.15919720      8.28975670     -8.89462048
  H     12.76259888      6.44976823    -13.41804930
  O     19.33183077      9.60896168    -13.39074634
  H     12.50522366      9.28598120     -9.87496015
  H     18.26565662     11.23860473    -13.40256928
  O     16.79926749      6.42919812    -15.42057819
  H     13.05042761      7.65418913    -11.69175293
  H     17.11311876     11.79321342    -12.55533642
  O     15.87409623     12.37879945    -15.57578617
  H     13.64109495      6.57285658    -10.75753620
  H     18.25222256      8.97890770    -11.97157964
  O     15.39462274      9.19611661    -14.20009361
  H     13.65696391     11.72127519    -13.38899161
  H     17.01122184      9.59260636    -11.28715239
  O     10.72104606      8.76144321    -14.08212396
  H     14.47498271     10.40610737    -13.31337882
  H     14.29313895     10.19420527     -8.63674463
  O     16.37353321      8.07240657     -8.89301370
  H     17.53847256      9.40695745    -16.36314168
  H     15.03952530     11.15237914     -7.67759416
  O     12.32805091      6.58653284    -14.26962867
  H     17.56269316      8.03021223    -15.61591551
  H     15.56042563      9.88120078    -17.37592152
  O     17.54884091     11.88225734    -13.41245908
  H     14.12128846      5.90853960     -8.30320785
  H     16.43081457     10.48002578    -18.50592605
  O     17.52273003      8.77433057    -11.37465167
  H     14.95700537      7.05076299     -8.92918671
  H     11.53091333      9.13478613    -12.42465775
  O     15.14670811     10.63329509     -8.46993654
  H     20.27148642      9.54602818    -13.54030471
  H     12.78323815      9.94184043    -12.02766510
  O     16.40477885     10.32440957    -17.56527257
  H     18.89711609      9.34061744    -14.21938251
  H     14.22407950     12.65993458    -15.17147400
  O     12.16544445      9.26620909    -11.71029938
  H     15.94915056      6.27173135    -15.84722061
  H     13.08494658     13.68133686    -14.93695430
  O     13.29976722     12.75485945    -14.87386914
  H     16.61390140      6.41407321    -14.47017743
  H     14.53348365      9.07873072    -15.75904012
  O     14.13726696      9.06365366    -16.64448430
  H     16.14225203     11.78221304    -16.28104910
  H     13.30790967      9.55867350    -16.57349343
          69
 Energy    -250.91116321597002     
  O     14.79257428     10.70377587    -16.19766539
  H     14.47842750     11.57417061    -16.43578886
  H     18.74269813      7.75790498    -17.75602951
  O     17.73254669      6.58828625    -12.13723525
  H     15.50510582     10.83530636    -15.55424440
  H     16.37158525      7.60162989    -14.74715798
  O     19.58769922      6.26257654    -18.45905696
  H     18.58853160      6.76432245    -12.54452934
  H     15.54671839      6.90006292    -15.86346905
  O     17.22810867      4.93766093    -18.41872690
  H     17.15128357      7.30764389    -12.42865455
  H     12.96905715      8.54719717    -14.45592657
  O     13.55224625      7.02084654    -10.07198530
  H     18.76178617      5.74880422    -18.52719427
  H     13.51283215      9.41057404    -15.62441177
  O     13.88082487      5.24010524    -13.78843230
  H     20.09575589      6.07377891    -19.24271597
  H     14.50357524      3.59529686    -10.77653096
  O     16.09560432      8.51191177    -13.17517233
  H     16.41093283      5.41738171    -18.59741232
  H     15.32621205      2.44773707    -10.14084965
  O     17.35143530      4.51843563    -15.63123881
  H     17.17098816      4.60454903    -17.51264435
  H     13.42581276      7.15032432    -16.13286303
  O     13.02468313      4.42439816    -11.23327812
  H     14.47452057      6.72091089     -9.98014781
  H     14.07076200      6.30272899    -17.28542843
  O     18.98494394      9.62496612    -14.93720738
  H     13.28593086      7.35408470     -9.21945378
  H     20.93731122      7.30434383    -13.27129417
  O     19.93678190      5.58693361    -15.69746889
  H     13.82157016      5.43491382    -14.73331011
  H     20.03866332      6.68556767    -14.36484855
  O     18.19272943      8.40620587    -17.30015209
  H     14.77238024      4.91008915    -13.61217286
  H     16.92114591      5.04983890    -12.73315262
  O     16.44408268      7.12304163    -15.58154223
  H     15.15255952      8.37822516    -13.00493419
  H     16.16184101      3.79385447    -12.23235025
  O     12.90683560      8.69154465    -15.40917898
  H     16.24542803      9.43062678    -13.42185432
  H     15.95198967      5.04258990    -10.01201192
  O     15.40780569      3.28628275    -10.58613378
  H     17.06224728      4.16663559    -14.78094425
  H     16.75105430      6.24232741    -10.55657090
  O     13.87729513      6.31612537    -16.34103461
  H     17.08269905      5.45121854    -15.61847171
  H     15.15552961      7.45787248    -18.80661030
  O     20.04517064      7.30079442    -13.60936381
  H     13.02504210      5.28072280    -10.78856948
  H     14.45087461      6.50429750    -19.80063504
  O     16.42112148      4.27434812    -13.02735688
  H     13.13592222      4.61828410    -12.17474056
  H     13.58423439      6.90580058    -13.13551474
  O     16.07262689      5.99566688     -9.91504186
  H     18.83523476      9.28665170    -15.83182447
  H     13.39557046      7.67512455    -11.81007340
  O     14.87884937      6.53486678    -18.94886235
  H     19.35866330      8.89310922    -14.43308792
  H     17.04703183     11.79351006    -13.77397935
  O     13.48092851      7.79601222    -12.76388939
  H     19.12741408      5.06254608    -15.62381271
  H     17.62454791     10.56082157    -14.51247988
  O     16.79710085     11.01544112    -14.26490543
  H     19.99908941      5.82727399    -16.62881412
  H     16.65053249      8.94765529    -18.15787949
  O     15.72085674      9.06277920    -18.40157069
  H     17.59593637      7.91042826    -16.71512692
  H     15.34121787      9.61295643    -17.70788489
          69
 Energy    -250.91085706109203     
  O     16.04864326      5.07016803    -12.62149535
  H     16.16289149      4.89998938    -13.56469743
  H     17.98180097      5.97964391    -15.09444963
  O     15.82833613     11.50412953    -12.63185313
  H     15.14635649      4.82357834    -12.38190395
  H     14.71146097      8.22949524    -16.01801041
  O     18.31326824     11.37549909    -13.69157561
  H     15.87287754     10.89176844    -11.88504476
  H     15.89385402      9.21486081    -15.86157773
  O     10.77602897      7.74827127    -15.61409108
  H     15.00431580     11.33106096    -13.10162003
  H     16.32103326      8.38489038    -12.10495052
  O     16.14779855      7.33043907     -8.98650911
  H     18.64834346     12.23943825    -13.91398188
  H     16.15822271      6.94718140    -12.72171615
  O     12.45677320      6.36296634    -13.81300248
  H     17.41789264     11.50592551    -13.32719181
  H     14.45525407      7.00934153     -9.76580206
  O     13.55626089     10.70030638    -14.20654595
  H     11.13672449      7.44132920    -16.45469632
  H     13.49772396      7.55052488    -10.86135724
  O     12.83966743      9.75162670    -17.81217160
  H     11.19866878      7.20587479    -14.93579903
  H     18.51272229      6.30076932    -11.13751327
  O     16.36404352      4.94868060    -15.41707222
  H     16.77311234      6.80656749     -9.51995246
  H     17.23038926      5.45940828    -11.26410461
  O     17.46664608      9.05366325    -14.98624374
  H     16.38761224      7.20075964     -8.07299086
  H     13.44556977      5.36386059    -11.16789979
  O     14.13426333      6.44021167    -16.01678712
  H     12.63611114      5.63741551    -13.20505037
  H     12.99297626      3.88943668    -11.31771237
  O     18.70317775      6.57454407    -14.86436240
  H     12.71736448      7.17223004    -13.34529096
  H     19.00635644     10.23046084    -12.29793374
  O     14.95702914      9.16067468    -16.09224264
  H     12.68612672     10.78776280    -14.61417105
  H     19.38620995      8.78508570    -11.87484250
  O     16.08519964      7.89121346    -12.90434948
  H     14.09204731     10.19955651    -14.83997859
  H     20.67251019      6.69528171    -12.39594415
  O     13.64818113      6.81199631    -10.25636909
  H     13.67989683      9.68120816    -17.33589046
  H     19.40349567      6.80427982    -13.26743861
  O     17.78389237      5.92991166    -10.62556650
  H     12.22190573     10.14838379    -17.18600091
  H     17.47634587      9.60305749    -10.85044793
  O     13.38870564      4.61541526    -11.79180441
  H     16.41655028      4.21765840    -16.02824177
  H     16.37673112      8.90423612     -9.98569823
  O     19.10836655      9.64553279    -11.53677073
  H     15.60129636      5.48519454    -15.69033712
  H     12.45725985      8.06355560    -18.04637676
  O     19.76549779      6.99149766    -12.38436059
  H     17.84671843      9.87655843    -14.65538106
  H     11.98431115      6.84378626    -18.87403905
  O     16.51811623      9.52336079    -10.71050636
  H     16.97902742      8.65341937    -14.24634838
  H     10.26896701     10.90000454    -15.58352695
  O     12.26432691      7.10913870    -18.00261636
  H     13.54899580      6.54806865    -16.77767707
  H     10.93675840      9.50598675    -15.55406750
  O     11.11504522     10.46135926    -15.61411417
  H     13.56619630      6.37632457    -15.23473420
  H     14.37274270      8.29368457    -12.65853272
  O     13.45021819      8.53902605    -12.48603525
  H     18.38142233      7.46514863    -15.06769012
  H     13.31748685      9.36622719    -12.96398287
          69
 Energy    -250.91004112039570     
  O     -4.52246495     -1.31395333      0.39034070
  H     -4.56241138     -0.68765629     -0.35472987
  H     -3.47286904      6.11115613     -1.46424667
  O     -0.21999529      4.70348128     -1.57538184
  H     -5.33320247     -1.81524373      0.37271737
  H     -1.67592261     -1.00526741     -3.56412743
  O     -3.39068098      2.90249161     -0.91551499
  H     -0.37654639      3.76782966     -1.75467438
  H     -1.82215851     -1.06698557     -2.02467884
  O      0.56358865     -1.16363497      4.27941260
  H     -1.09180644      5.10094724     -1.46072889
  H     -0.70070260      2.98009628      3.52802229
  O      2.77055001      4.08129047      2.29992465
  H     -3.45855444      2.82769349      0.04809830
  H     -1.22036004      2.15550060      4.73638700
  O     -0.51627057      2.92677446      1.77051643
  H     -2.51428552      2.57290422     -1.16772066
  H     -2.27097224      6.08205867      0.87339149
  O     -1.73131620      0.45662012      4.86272982
  H      0.95750539     -1.86041779      4.79697871
  H     -2.27889528      5.81767255      2.40096019
  O     -4.40317482      0.39140780     -1.71796362
  H      1.23266196     -0.45992061      4.19730127
  H     -2.26509468      2.80632936      1.71025897
  O     -3.09690872      0.04118822      2.39895967
  H      2.11829992      4.61723457      1.82614177
  H     -3.44266441      3.40948789      2.49321508
  O     -0.58672783     -0.98649069      1.72884275
  H      2.46022092      4.00755405      3.20976728
  H     -2.29729234      4.18498030      4.19025065
  O      2.34631087      0.83311900      3.96781479
  H     -0.05589481      2.21653618      1.30880544
  H     -3.50873832      5.05163975      4.59951191
  O     -2.89619001      5.61115709     -0.89145918
  H     -0.12622355      3.76173837      1.47989787
  H     -0.27017273      1.59099908     -1.04377078
  O     -1.89745680     -0.48095494     -2.79938330
  H     -2.32170890      0.23988972      4.12930130
  H     -1.18184228      1.14360977     -2.20748135
  O     -0.90990082      3.03565223      4.47445351
  H     -0.97714629     -0.13964889      4.77646080
  H      0.79853952      3.37728186      4.87903496
  O     -1.80192053      6.26985345      1.69686804
  H     -4.22310064      1.31384829     -1.49477090
  H      1.95336921      3.90030487      5.76330946
  O     -3.23020152      2.75613151      1.81809996
  H     -3.64193072      0.09595639     -2.23326049
  H      0.37656973      0.20460552      0.78527974
  O     -3.03691739      4.71127683      3.84359634
  H     -3.66786695     -0.45321499      1.79771120
  H      1.66141943      1.09358802      0.60550070
  O     -0.89830186      1.91698139     -1.70425485
  H     -3.23279684      0.97945148      2.20690017
  H     -2.79871139     -1.93792608     -0.21599273
  O      1.76421109      3.46595280      4.93533336
  H     -0.14927344     -1.17719733      2.56736251
  H     -1.32373929     -1.79777111      0.19688905
  O      0.75240755      0.95916794      0.30887874
  H     -1.44571796     -0.59806647      1.95233189
  H      4.13475020      1.54155103      1.01318756
  O     -1.89631306     -2.01025698     -0.55122543
  H      2.20912625      1.69771626      4.37275301
  H      3.12391650      2.52640562      1.65018822
  O      3.25531381      1.59940011      1.37636037
  H      2.72412992      1.00401264      3.09668273
  H     -0.10213769      5.79635528      1.28707299
  O      0.66499446      5.30204295      0.96202945
  H     -3.17648951      4.68351141     -0.95511587
  H      0.51670299      5.14328110      0.01755507
          69
 Energy    -250.90502047445119     
  O     16.37013790     11.24336423    -12.58172385
  H     16.93899205     10.48684759    -12.39447047
  H     12.57944344      7.77818800    -13.97249974
  O     18.46349388      7.66971912     -8.22674312
  H     16.30171030     11.73088464    -11.75191723
  H     13.06979345     12.09216931    -10.62394673
  O     14.86691979      5.39983137    -11.25046070
  H     18.91624677      7.44481101     -9.04904734
  H     12.96005686     11.76283126     -9.11400851
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  H     14.63558093      8.14742956    -14.23476855
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  H     20.18975363      6.44976938    -11.12860114
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  H     11.76832561      5.55337839    -10.29805546
  H     18.73100583      6.09420216    -10.75216529
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  H     12.55854880      5.94266049     -9.03406940
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  H     16.64300069      4.92621535    -10.82841238
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  O     13.55591506      8.99848040    -11.24621481
  H     17.34258941      4.93073630     -9.45793964
  H     13.04544607     11.44070381    -13.07142055
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  H     17.26724140      5.06395731     -6.86012048
  H     10.67494503      8.93015176    -12.85644601
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  H     18.38102085      8.27650966    -11.41756876
  H     11.62019081      9.84427075     -8.52653462
  O     19.36846021      6.82731012    -10.82609263
  H     16.41937420     13.33845167     -9.78617122
  H     11.52330661     10.65393609     -7.21266317
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  H     16.81760091     10.85427271     -9.27265174
  H     11.73550680      4.33676987    -12.61114361
  O     10.37622778      9.69106056    -12.34327910
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  O     12.09620107     10.46818713     -7.95204559
  H     14.27278493      8.61000541    -11.76742006
  H     15.11245125     11.29013644    -13.78191958
  O     12.20343719      5.00844598    -12.12148211
  H     13.34281673      9.87179315    -11.60362928
  H     14.19383895      9.01984403     -9.56079971
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  H     11.16866470      7.70468781     -9.57615997
  H     13.71841734      9.49138273     -8.17199735
  O     14.41042488      8.98762737     -8.61606026
  H     11.97611810      8.79198989    -10.29198266
  H     16.34082564      8.07882155    -12.31024880
  O     15.51962044      7.69841099    -12.64862207
  H     12.41402871      7.96741379    -12.46600244
  H     15.37898481      6.84396338    -12.21794585
          69
 Energy    -250.90462821698424     
  O     -6.76775846      2.74639048     -1.21452273
  H     -6.21045915      3.51811552     -1.05797258
  H     -7.47063924     -2.32915955     -0.01589776
  O     -3.13566998      4.67248127     -2.76111825
  H     -6.62932022      2.15432896     -0.46276681
  H     -3.61369845     -2.24441974      1.17289772
  O     -6.02953975      0.85341224      0.72050296
  H     -3.35374906      3.82054323     -3.16189703
  H     -5.15909918     -2.11878806      1.10808328
  O     -2.18658497     -2.34396648      0.08942928
  H     -2.26440727      4.56523290     -2.35637875
  H     -2.37893418      2.36833331      1.77527329
  O     -0.21405631      1.36689764     -1.83603202
  H     -5.55406103      0.78702939      1.55787241
  H     -2.82777125      1.16119346      2.63604356
  O     -3.84200925      2.02978052     -3.47438051
  H     -6.36593643     -0.03115360      0.51975039
  H     -3.67030954      4.01340540      0.21947669
  O     -3.12338043     -1.14747363     -2.28339771
  H     -2.48566865     -2.16015831     -0.80993964
  H     -2.16572594      3.74353995     -0.06661018
  O     -1.66553962      0.47903801     -4.10713012
  H     -1.57331050     -1.62625299      0.29677528
  H      2.76013429     -0.14447091      1.65417225
  O     -0.83315861      3.99940152     -1.25336671
  H     -0.45015242      0.81391596     -1.07661672
  H      2.22292587      0.93237336      0.67816613
  O     -0.63254738     -0.03096180      0.54570297
  H     -0.62033632      0.99080513     -2.62413133
  H     -0.32618527      2.33269498      2.61180953
  O      2.29213942      2.02329987     -0.70152274
  H     -3.79097755      1.77523970     -2.53948005
  H      1.11624829      1.86442127      2.33903387
  O     -6.70321830     -1.76387892     -0.01377389
  H     -4.75950695      1.87012089     -3.72715875
  H     -7.32765308      1.60619554     -4.11459552
  O     -4.40354943     -2.05801558      1.70266859
  H     -3.25223924     -0.40246891     -1.67443008
  H     -6.69544568      1.91839441     -2.73666737
  O     -2.05023982      1.63386869      2.31539424
  H     -2.56552095     -0.81245022     -2.99346593
  H     -4.73009257      0.14552463      3.89542652
  O     -2.91034796      3.48856699      0.49750070
  H     -2.43288206      1.07008737     -4.01693712
  H     -4.37002309     -0.59885007      2.58584287
  O      2.00085396      0.39841031      1.46206088
  H     -1.43206020      0.46412484     -5.03160457
  H     -4.95860941     -1.26251816     -2.56764385
  O      0.58308578      2.64747387      2.52549438
  H     -0.10720240      4.28666839     -0.68517638
  H     -6.15092967     -0.34146420     -2.93694787
  O     -6.56561866      1.42903227     -3.57001478
  H     -0.62668333      3.09184461     -1.52297630
  H     -3.32386784      1.91391340     -0.37999366
  O     -4.42596722      0.28242980      3.00212861
  H     -1.16720385      0.50321274      1.14913645
  H     -4.54461570      0.97955272     -0.38427897
  O     -5.92167771     -1.18405294     -2.52886018
  H      0.26737061     -0.02818235      0.89572806
  H     -4.35864872      4.92089956     -1.53833543
  O     -3.71289386      1.16126034     -0.84081846
  H      2.08751761      2.90295477     -0.36079798
  H     -5.25140343      5.83652672     -0.66530214
  O     -4.97240388      4.93198734     -0.78151415
  H      1.53476712      1.77300396     -1.24850259
  H      1.72261794      5.14660311      0.93333607
  O      1.26111969      4.40076350      0.55986294
  H     -6.45702941     -1.62092527     -0.94539461
  H      0.99358646      3.83391149      1.30580328
          69
 Energy    -250.90314331365420     
  O     17.21477843      8.28687557    -12.63081324
  H     16.62592809      9.06021624    -12.62027388
  H     14.40913366     10.68728061    -13.77818688
  O     12.79633349     12.70096880    -11.03205352
  H     17.90055403      8.46726258    -11.97595221
  H     17.02916225      8.90648588     -6.09811748
  O     17.29440556      9.19177930    -15.24757832
  H     13.27732971     13.03058273    -11.81263903
  H     16.26665307      8.31997434     -7.31013348
  O     11.64517049     10.66359141    -12.69259062
  H     12.35893844     13.45357417    -10.64287560
  H     13.87170031     11.42087012    -10.21721946
  O     15.35822991      6.55173804    -11.61593037
  H     16.39954931      9.01118415    -15.55754222
  H     14.09629906      9.88013805     -9.98577720
  O     18.96363098      9.17184759    -10.67151510
  H     17.37911435      8.70900881    -14.41272316
  H     18.85198581      7.73851160     -9.48239999
  O     20.15913059     11.10530459    -12.35116800
  H     11.88847833     11.35994494    -12.07270818
  H     18.17859591      7.68009514     -8.10145554
  O     17.17506795     10.70105171     -9.15062587
  H     12.28313841     10.72289430    -13.41795187
  H     17.48758068     12.57270657    -13.68620892
  O     11.45737236      8.06899584    -12.03249626
  H     15.75842720      6.02129254    -10.91694603
  H     17.38037402     13.01647283    -12.19666595
  O     14.56393761      8.53490383    -15.87315721
  H     16.06493678      7.09479307    -11.99711120
  H     17.34357638      5.93586645     -9.20662156
  O     13.59931989      7.15864076    -13.73341502
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  H     16.84909054      4.47037822     -9.16035786
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  H     15.23533276     10.57048213    -11.60910610
  O     17.05193857      8.83409892     -7.04840425
  H     21.07935134     11.26086307    -12.55193715
  H     16.09523141     11.35279521    -12.64154351
  O     14.52165516     10.75030522     -9.97113898
  H     19.67344337     11.19485157    -13.18563487
  H     18.16016169     10.65901107    -14.93450034
  O     18.55337840      7.12571582     -8.79742761
  H     16.24327656     10.77526111     -9.40155790
  H     18.98139388     11.81941624    -15.53733504
  O     16.88866076     12.94738111    -13.03001925
  H     17.19273888     10.16598805     -8.34717291
  H     14.22283030      7.63759847    -10.68594338
  O     16.57846865      5.35786727     -9.37913722
  H     11.45824733      9.01470223    -12.26889167
  H     12.75489350      8.11039433    -10.70152748
  O     15.64950705     10.51063691    -12.47922700
  H     10.54793608      7.78415509    -12.03280214
  H     19.09536545     12.24729656    -11.15119121
  O     18.66640350     11.46095625    -14.71126967
  H     14.28265309      8.07845704    -16.66167808
  H     17.98807307     12.13960730    -10.08113101
  O     13.57410950      8.16348808    -10.19472911
  H     14.22988043      8.01478304    -15.11966172
  H     13.92882897     12.69494004    -13.90545125
  O     18.37352315     12.73512569    -10.73756695
  H     12.81564545      7.43305810    -13.24333185
  H     15.09134587     13.44232148    -13.22735781
  O     14.12715264     13.41750748    -13.29521585
  H     14.20488404      6.79920694    -13.07212317
  H     15.44403964      6.51989989     -8.34099430
  O     15.00752449      7.27536761     -7.92748114
  H     13.93884701     10.17224264    -15.14290856
  H     14.37727918      7.60298445     -8.58167051
          69
 Energy    -250.90205084666223     
  O     14.65592836      9.78304100    -10.73707183
  H     14.52894503     10.30836035    -11.53978392
  H     18.34669850      4.36905307    -10.05605972
  O     13.08046602     10.32030175    -16.59081250
  H     15.52955211      9.97160692    -10.37351952
  H     13.29382962      8.75997588    -10.11168922
  O     16.89431552     10.53621432    -14.07437822
  H     13.13552470     11.18956594    -16.17499756
  H     12.31707814      7.70497040    -10.68731653
  O     13.13950020      4.77219313    -12.58407113
  H     12.85487299      9.70247355    -15.88333078
  H     18.63980991      7.65915633    -13.59686327
  O     16.95820841      7.30752571     -8.80299054
  H     17.36612518     10.02665730    -13.40304208
  H     18.21850383      7.47738831    -15.06493527
  O     16.20186425     12.23818358    -16.21584746
  H     15.98133856     10.62098502    -13.76578835
  H     14.62477015     12.69331879    -15.59746728
  O     15.47527668      7.42629987    -12.05586390
  H     13.70057778      4.75366651    -11.79503398
  H     13.46927580     13.68035635    -15.29828237
  O     14.22488337     10.82502167    -13.25114870
  H     13.71478140      4.50403029    -13.30921824
  H     13.58113885      8.04967150    -14.57137520
  O     17.92847910      8.76131021    -12.19455131
  H     16.06648922      7.07276333     -8.51764205
  H     12.33869955      8.16786051    -13.66215401
  O     17.56689709      4.82860617    -13.04068030
  H     17.28243110      6.56730767     -9.33069554
  H     15.28566288     10.03088534    -18.87086673
  O     15.14302878      4.33359277    -14.58131141
  H     16.06517418     11.57655193    -16.90541965
  H     14.56574471     10.08767834    -17.50299190
  O     17.69152980      4.99069877    -10.36157997
  H     16.63590560     11.77252048    -15.48775886
  H     10.72590938      6.76553040    -12.35312849
  O     12.71363345      8.02381476     -9.86850001
  H     15.28078093      6.63500830    -11.54096319
  H     12.16144276      6.20593179    -12.46740986
  O     18.65536432      7.03054504    -14.33058536
  H     15.10050807      8.17990347    -11.58226654
  H     13.81290805      6.38947843     -7.38673056
  O     13.73044769     12.76746119    -15.21763225
  H     13.72493371     10.06969579    -13.59458358
  H     13.64473923      7.10029272     -8.75234353
  O     12.85804331      8.64416650    -14.32072487
  H     13.98653939     11.58639229    -13.79390272
  H     15.85111544      4.87676277    -10.40119777
  O     15.44004154     10.04800941    -17.93023722
  H     17.15492873      8.17712353    -12.17744179
  H     14.62791149      5.47299027     -9.65253842
  O     11.64461299      7.02369126    -12.35121461
  H     17.93123772      9.20072564    -11.33651876
  H     15.72598608      7.53331290    -15.24621981
  O     14.25208352      6.55870521     -8.21537219
  H     16.78993403      4.54967057    -13.53516906
  H     15.25062208      7.16775900    -13.79820888
  O     14.91098352      5.08097377    -10.48868440
  H     17.98782105      5.53383014    -13.55451099
  H     17.20340253      8.94039619     -9.29871492
  O     15.05892530      7.04852770    -14.74259292
  H     15.14787561      3.89310304    -15.42745532
  H     17.74105908     10.36459093     -9.01020275
  O     17.28787507      9.84076891     -9.66477592
  H     15.09579583      5.28866800    -14.76277001
  H     16.51083371      8.97913541    -16.82021440
  O     16.93998087      8.58456594    -16.05140903
  H     17.70489515      4.94801544    -11.33589608
  H     16.97533191      9.28482967    -15.38217393
          69
 Energy    -250.89867050437059     
  O     12.69984587      9.60433959    -15.92440281
  H     12.63323209      9.34278434    -14.98792030
  H     20.13078980      6.89635889    -12.70051207
  O     16.78667133      5.69575014    -13.15721006
  H     11.83697623      9.91302495    -16.18724291
  H     16.32070787     10.63228450    -17.02913359
  O     20.53402010      9.94066375    -13.10658185
  H     16.58248936      6.48911226    -13.67867845
  H     17.82791959     10.38068780    -16.89687692
  O     13.88187461      5.18943200    -15.20353909
  H     16.77415167      4.97136869    -13.79234662
  H     17.25285480      7.72459585    -15.19268081
  O     16.47719192      9.64403828     -9.26813208
  H     20.80450359      9.02141653    -13.21445555
  H     15.70325977      7.69613350    -15.46065314
  O     14.80495506      6.46515581    -11.39341026
  H     19.86375341      9.92779506    -12.40977802
  H     12.51780168      7.83478762    -13.22602831
  O     16.31421193     10.19234122    -13.49438765
  H     14.71735676      4.71451273    -15.27195895
  H     13.20078532      9.09639204    -12.65489819
  O     17.64402840      5.87289890    -17.18418492
  H     13.96004009      5.94289140    -15.80595716
  H     13.01712992      5.64269246    -13.77824374
  O     16.76971019      6.94789380     -9.42172970
  H     16.48652860      9.98899097     -8.37972594
  H     11.77619489      5.41708686    -12.88056604
  O     19.05769894      7.67654674    -15.60246051
  H     16.58080516      8.67734499     -9.19931527
  H     19.49256338     10.40723984    -14.52032889
  O     16.52787541      4.08299707    -15.44914684
  H     13.96025333      6.22784902    -11.79519349
  H     17.96928493     10.58796263    -14.66732593
  O     20.76157061      7.06219041    -13.42070047
  H     15.48514418      6.10338077    -11.98006174
  H     18.53661576      7.77496604    -11.55469880
  O     17.07606155     10.22117882    -17.47649561
  H     15.67351782     10.04340236    -12.78524790
  H     18.09035110      6.37906262    -12.11058020
  O     16.38115806      7.82672518    -14.78608137
  H     16.33098487      9.36090256    -13.99853868
  H     17.74011890      9.73590418    -10.67515068
  O     12.61405064      8.78687577    -13.35492754
  H     18.30342234      6.41962742    -16.73473016
  H     17.62112913      9.84102474    -12.21160512
  O     12.55322618      5.95998952    -12.98195014
  H     17.17828879      6.47370158    -17.77753036
  H     16.61952822      8.76409801    -18.26619579
  O     18.77479291     10.43272893    -15.17177230
  H     16.00981521      6.66529101     -9.94936085
  H     16.29381927      8.05436320    -19.60153366
  O     18.74747398      6.82887761    -11.55813447
  H     17.54734621      6.74637166     -9.95533104
  H     15.12589500      9.56043268    -10.63981050
  O     18.22188580      9.58855266    -11.49802564
  H     19.04154541      8.64294784    -15.56710317
  H     14.73611195      8.31051250    -11.44992583
  O     16.28503732      7.93494108    -18.65590692
  H     19.66953835      7.38779441    -14.91419425
  H     15.38976577     11.04167369    -14.99083518
  O     14.66777107      9.27720466    -11.43956032
  H     16.74748228      3.20245482    -15.74157966
  H     14.19878351     10.75228143    -15.91926091
  O     15.04619309     11.21184206    -15.87553835
  H     16.91726326      4.69568326    -16.09834525
  H     13.76693133      8.23544985    -16.55187495
  O     14.35974608      7.48546347    -16.69133217
  H     21.51073465      6.49184805    -13.26832107
  H     14.89798391      7.65533249    -17.47517985
          69
 Ord_Energy   -250.898666    
 O   -4.77668524       5.83795214       4.65189266    
 H   -5.05857420       6.34598160       3.88238382    
 H   -4.38367271       6.47817230       5.25759077    
 O   -5.44715738       7.85971928     -0.577412665    
 H   -5.99984074       8.65016460     -0.551473200    
 H   -5.32999516       7.58187389      0.340694875    
 O   -2.34230900       7.31210756       2.13619447    
 H   -1.91501093       7.26908827       3.00060916    
 H   -2.02356434       6.57924938       1.59128237    
 O   -6.66089010       10.3948164     -0.231584832    
 H   -5.85396481       10.7993698     -0.599247396    
 H   -7.40177202       10.8721609     -0.594325244    
 O   -2.21934748       6.15494347      -2.36743164    
 H   -1.77692747       6.08763170      -3.20974398    
 H   -2.45423174       7.09003735      -2.24707794    
 O   -1.29312038       9.15260220      0.441938967    
 H   -1.72772133       8.55745125       1.07436371    
 H  -0.349538028       9.01910496      0.583765030    
 O   -5.03774405       7.25338078       2.15278435    
 H   -4.06563282       7.24222136       2.17757964    
 H   -5.28208733       8.17895794       2.29118395    
 O   -1.72030318       5.29843855      0.289266139    
 H   -2.57603312       4.91893244      0.532461047    
 H   -1.79306674       5.56764889     -0.634674847    
 O   -2.90121031       11.1842222       1.39940369    
 H   -2.27391887       10.5420122       1.03640258    
 H   -2.52252483       11.4737968       2.23845625    
 O    7.14837536E-02   9.54433346       3.73831058    
 H   0.543856144       9.23121262       2.95915771    
 H  -0.279221326       8.75072765       4.16716242    
 O   -5.31992722       10.0247087       2.25608683    
 H   -5.94884682       10.2142668       1.55023766    
 H   -4.47471714       10.3928442       1.95714080    
 O   -3.00853896       8.70393658      -1.68921244    
 H   -2.36468196       8.87255001     -0.984685481    
 H   -3.83699369       8.41951275      -1.27409589    
 O   -4.33259535       4.58269835       1.01432788    
 H   -4.74395609       5.32517290       1.46921265    
 H   -4.61182690       4.65378714       8.84776190E-02
 O  -0.512996972       4.57444000       4.17464828    
 H   -1.41494894       4.30869198       3.91557145    
 H  -0.145545319       3.84759927       4.66985559    
 O   -4.23824692       11.2760391      -1.08750725    
 H   -3.75495338       11.4482365     -0.267461747    
 H   -3.77314520       10.5483017      -1.51662064    
 O   -4.87784386       5.27317095      -1.59871078    
 H   -4.01876593       5.43863153      -2.00419927    
 H   -5.23492861       6.14831734      -1.39482892    
 O   0.585120261       5.74001741       1.78709555    
 H   -9.13997665E-02   5.45559263       1.15690088    
 H   0.344839454       5.32276583       2.62262058    
 O   -3.05633879       3.98958588       3.51664257    
 H   -3.45907617       3.91145349       2.64578700    
 H   -3.65945745       4.55396366       4.02401304    
 O   -3.43402982       7.80524397       6.20715380    
 H   -3.67558527       8.61881733       5.72799110    
 H   -3.59831381       7.96986389       7.13172197    
 O   -1.16276872       7.23858786       4.67308712    
 H   -1.90115869       7.34847927       5.28632593    
 H  -0.902653575       6.30843067       4.66215086    
 O   -4.00718164       10.0259075       4.78660440    
 H   -4.60514355       10.0614538       4.03077602    
 H   -3.24920511       10.5787516       4.55816221    
 O    1.23723936       8.36195183       1.38696456    
 H    1.04177320       7.42113352       1.54545665    
 H    2.15300846       8.40841389       1.12560833    
 O   -1.74460554       11.5344992       3.92695332    
 H   -1.34933519       12.2739153       4.38063192    
 H   -1.05842543       10.8456526       3.85901952    
          69
 Energy    -250.89663352486463     
  O     17.19216896     11.56310090    -14.46437317
  H     17.51400212     11.23612869    -13.61324481
  H     17.34947935      6.91067833    -10.56793151
  O     15.97708017      6.38850913    -11.80904588
  H     16.38300706     12.04942892    -14.26813365
  H     13.28066091      7.60908031     -9.12480954
  O     11.99691265      8.19960434    -13.26393753
  H     15.03134635      6.21696820    -11.70801653
  H     12.41184849      6.53390060     -8.43024319
  O     12.73558406     11.19938703     -9.61072656
  H     16.17172451      6.22861933    -12.74239626
  H     14.12424523     12.12130668    -10.48334144
  O     19.65413325      8.31334695    -12.29980881
  H     12.61416702      8.93290275    -13.40378732
  H     15.65299826     12.39253531    -10.44782266
  O     12.55295024      6.77725862    -15.56948358
  H     11.97524192      7.71173760    -14.09918923
  H     15.08974297      9.12897717    -10.72343415
  O     16.08537903      6.01466824    -14.56659389
  H     12.19724622     10.52668984    -10.06495740
  H     15.72576054      8.16371169    -11.74448550
  O     13.99182982     10.04327997    -13.68057640
  H     12.13658973     11.70219185     -9.06414863
  H     17.33765713     10.32371405    -15.65986621
  O     16.94264878      9.38345072     -8.42339670
  H     19.25939073      7.98396672    -13.12740471
  H     17.78746777      9.91265892    -17.08305762
  O     13.69816861      4.53754455    -14.11322552
  H     20.59572866      8.18594385    -12.37634062
  H     17.77647352      6.85238792    -14.62616153
  O     14.35076376      8.98311670     -8.99898582
  H     12.87737839      5.93017756    -15.24252016
  H     18.19428223      8.21824386    -15.20410550
  O     18.02500447      7.41731388    -10.09963057
  H     13.34081943      7.28913108    -15.79715387
  H     11.57398819      8.35310356    -10.17856480
  O     12.59576571      6.93309658     -9.27631337
  H     15.68296562      6.81362791    -14.94096275
  H     11.40259772      8.85298645    -11.62279028
  O     14.84309271     12.57775561    -10.93742393
  H     15.38001041      5.35852339    -14.52153093
  H     12.79881492      6.83091809    -12.35284053
  O     15.47830036      9.08816247    -11.60498452
  H     14.52497870      9.74287640    -12.92769826
  H     12.94103928      6.21623027    -10.94130576
  O     17.40704649      9.57324122    -16.27757247
  H     14.13492190     10.99220560    -13.76173699
  H     18.05394662     12.55693061     -9.54862104
  O     18.47193341      7.52112976    -14.59687931
  H     17.18282967     10.24382891     -8.78399075
  H     17.66420931     11.46369155    -10.57118776
  O     11.33943593      9.13024494    -10.69889943
  H     17.39118911      8.71053999     -8.95870957
  H     14.61436938      8.95063861    -14.99589450
  O     13.18160488      6.08518221    -11.86686153
  H     13.47128471      4.97235525    -13.27445019
  H     15.75376957      8.73756990    -16.01546526
  O     17.37569905     11.92063364     -9.76201682
  H     13.40599247      3.63237896    -14.04008022
  H     14.31048724     13.56560540    -13.87698748
  O     14.96465686      8.32367330    -15.64486863
  H     15.24723132      9.12770056     -8.65646822
  H     14.78618466     12.74120719    -12.65632375
  O     14.73687550     12.74982323    -13.62977343
  H     13.87963023      9.82443397     -9.03150151
  H     18.57081611      9.77527660    -12.07349399
  O     17.87432211     10.43858626    -11.99019275
  H     18.66926950      7.65981200    -10.77478912
  H     17.04279608      9.95923587    -11.85102924
          69
 Ord_Energy   -250.895599    
 O   -2.72608638       1.50445592       4.12578821    
 H   -2.19109988       2.28633404       3.92956066    
 H   -2.66705871      0.929889977       3.35300946    
 O    4.13890123     -0.672801852       3.16168165    
 H    3.60199594     -0.862956405       3.94478130    
 H    5.04127932     -0.545671582       3.48080254    
 O   0.920778632       1.31536222       3.32867384    
 H   0.584468544      0.733541429       2.63674140    
 H    1.79234815       1.60487974       3.03006315    
 O   0.865090907      0.719704807       5.96641541    
 H   0.847802818      0.890710354       5.00974035    
 H   -4.47687283E-02  0.534876823       6.22663879    
 O  -0.819387376       3.46332479       3.59251666    
 H  -0.418892533       4.04752159       4.24763155    
 H  -0.199885055       2.72425914       3.48799014    
 O    2.48681021       2.94988346       6.28784132    
 H    1.91003323       2.17328143       6.25233412    
 H    3.23846507       2.70738959       6.84391403    
 O   0.210947827     -0.127011836       1.03695154    
 H   0.662536561      0.562272251      0.533963144    
 H   0.846828163     -0.840275705       1.20920515    
 O    3.40614533       1.79112744       2.16371083    
 H    3.69566512      0.894445539       2.38763332    
 H    2.98093462       1.78621185       1.29819870    
 O    1.68041492       2.00770855      -7.47988075E-02
 H    1.87242579       2.25129032     -0.976095021    
 H    1.30275035       2.79757047      0.356775343    
 O    2.03291202      -1.99970698       1.79728794    
 H    1.68716800      -2.52206373       2.53200245    
 H    2.86290622      -1.62199378       2.11483955    
 O    4.13148737       3.63864899       4.04549074    
 H    3.55249524       3.39744830       4.78086710    
 H    3.93963504       3.01960778       3.32410145    
 O    4.96548223     -0.553296328       6.77246809    
 H    4.15675211     -0.943197966       6.41336823    
 H    5.59587193     -0.538143933       6.04221344    
 O    6.58336687     -0.118413933       4.42901421    
 H    7.50058985     -0.318104088       4.26301622    
 H    6.54251623      0.821007073       4.68424845    
 O    2.28470945       5.53652239       3.04612947    
 H    3.06456637       5.02879858       3.30563974    
 H    1.71874666       5.52408695       3.82641768    
 O   -1.31569135      -1.86996710       4.29768753    
 H   -1.70917439      -1.45739019       3.51951051    
 H   -1.51079464      -1.28406978       5.03854895    
 O    1.00354373      -3.23729253       4.15886307    
 H   0.832032144      -4.16208887       4.31446266    
 H   0.146259964      -2.77745461       4.21460009    
 O   -2.30276752     -0.423465133       2.03914022    
 H   -1.44644284     -0.317004323       1.59089971    
 H   -2.92850757     -0.695845723       1.37252581    
 O   0.744770408       4.95269346       5.45396709    
 H    1.36185646       4.29764700       5.81842709    
 H   0.555987000       5.56859922       6.15801764    
 O    4.73160601       1.99220419       7.68291044    
 H    4.78672647       1.05454075       7.42327070    
 H    5.02283144       2.04295778       8.58940887    
 O   -1.85613573      0.127593055       6.27452898    
 H   -2.22109413      0.672111511       5.55243778    
 H   -2.51168799      0.110014997       6.96600771    
 O   0.690028667       4.13303280       1.24910724    
 H   -2.93322392E-02   3.98154497       1.87205315    
 H    1.31859577       4.68712282       1.73505580    
 O    2.63955832      -1.34774888       5.44241285    
 H    2.01453972     -0.660880506       5.71359301    
 H    2.11817384      -2.07866359       5.08850241    
 O    6.30955935       2.43537164       5.30404425    
 H    5.68833351       2.95874858       4.77856588    
 H    5.91713190       2.38811636       6.18362570    
          69
 Energy    -250.89559822637622     
  O     11.51925204     10.16385501    -10.50791955
  H     11.16766755      9.59630502    -11.20409902
  H     11.28771198     13.61817596    -10.32897165
  O      8.49040799     11.05546005    -12.14228802
  H     11.30783399     11.06830850    -10.77228361
  H     10.69566826      9.74370791     -8.95503659
  O     14.00999445      9.93149114     -9.47942599
  H      7.65566210     11.30858760    -12.52655478
  H     10.60770358     10.12097035     -7.46306532
  O     13.99074318      7.22244384     -8.76437586
  H      8.36722809     11.05610692    -11.17399314
  H     11.63174294     11.69412973     -5.62182810
  O     14.37031631     14.72583224    -13.03599508
  H     13.12163253      9.96283981     -9.87261704
  H     12.16784995     11.88205234     -7.05617168
  O      8.30002879     11.08484031     -9.45649435
  H     14.12790091      9.03531279     -9.14374075
  H     10.97400714      6.74826506     -9.47922663
  O     13.07730010     12.24275030    -13.26249383
  H     14.43689020      6.63842103     -8.15768783
  H     10.86411097      7.76506057     -8.31606780
  O     16.20194322     13.13647133    -11.48115598
  H     13.03364279      7.10153415     -8.62136879
  H     14.97112519      9.86907720    -12.51984457
  O     13.73949148     15.57358446    -10.53682616
  H     14.09542178     15.09025394    -12.17520763
  H     14.74730894     10.38721772    -11.07311591
  O     13.47611210      6.82170434    -11.55091366
  H     14.52857781     15.46952073    -13.61098235
  H      9.51866747      9.54051731    -12.52121357
  O     15.61334430     14.01787909     -8.98318718
  H      8.55611815     11.90046547     -9.00104703
  H     10.83582466      9.13570810    -13.26839651
  O     11.61419130     14.07111051     -9.53607564
  H      8.74376946     10.38487967     -8.96492596
  H     10.02413109     12.17760612    -12.02389812
  O     10.27438864      9.49516175     -8.11737614
  H     13.71301704     11.69618590    -12.77792965
  H     11.53879971     12.47935215    -12.35204907
  O     11.39896819     11.58820392     -6.54120943
  H     13.47017308     13.12293802    -13.31912094
  H      9.95775764     12.66950234     -7.36446121
  O     11.31271394      6.95628982     -8.60013581
  H     15.71936356     13.69564458    -12.10190943
  H     10.06202177     13.66847668     -8.51290799
  O     15.00422143     10.65837802    -11.96555274
  H     15.92961419     12.22974025    -11.67786978
  H     12.41757632     10.65927061    -14.08854696
  O     10.19349384      8.85427399    -12.59685626
  H     14.41346435     15.22063030     -9.94430657
  H     12.97451830      9.22539235    -14.10644232
  O     10.83344544     12.58782054    -11.69728843
  H     12.90263796     15.21645805    -10.20802659
  H     14.18007750      7.76412843    -12.80948757
  O      9.42117032     13.16779851     -7.99143277
  H     13.75353164      6.91024111    -10.63144837
  H     15.11497315      7.80675344    -14.04302789
  O     12.16915143      9.73945473    -14.24545681
  H     12.53347274      6.61801016    -11.52751177
  H     10.09643122      5.77638593    -11.69710827
  O     14.55016421      8.34697319    -13.49710728
  H     16.40499446     14.32689827     -8.55084010
  H     10.40010770      7.28553490    -11.83117491
  O     10.64616160      6.47573462    -11.35239904
  H     15.88670161     13.66702468     -9.85027464
  H     13.72915219     11.49763818     -8.61060477
  O     13.48529382     12.34811396     -8.21783642
  H     12.22721321     13.46367836     -9.10085299
  H     14.23214077     12.94239252     -8.36635624
          69
 Ord_Energy   -250.890900    
 O    2.33941579       11.6240253      -11.7784224    
 H    2.93122387       11.8751841      -12.4988680    
 H    1.45155036       11.5763140      -12.1604671    
 O  -0.795445800       12.7245417      -8.98418236    
 H   -1.18546903       12.8574228      -9.85702991    
 H   -1.44068992       12.2168798      -8.47726345    
 O   -3.59965014       10.8095608      -10.4171009    
 H   -3.11057639       11.5125608      -10.8613605    
 H   -3.39847898       10.8945923      -9.47676563    
 O    3.09276748       8.17931747      -9.10788536    
 H    2.84388256       7.32688189      -8.72760105    
 H    3.11611271       8.81959724      -8.38520241    
 O  -0.850781739       8.90154457      -12.1407661    
 H  -0.438486278       9.01060677      -11.2689095    
 H   -1.76946104       8.64622116      -11.9986334    
 O    3.29047060       8.94357204      -11.7175798    
 H    3.38397861       8.63526821      -10.8057289    
 H    2.93760777       9.84248638      -11.6799202    
 O   -2.71933341       11.0177689      -7.72731686    
 H   -3.20680618       11.1288729      -6.91535044    
 H   -2.24353862       10.1720295      -7.65630293    
 O   0.593542039       5.95029974      -10.3583651    
 H   0.811524749       6.24995852      -11.2450104    
 H  -0.336511493       6.16963673      -10.1929321    
 O   -1.26912463       8.71908760      -7.75195885    
 H  -0.720599532       8.93411064      -8.52142620    
 H  -0.641968906       8.41717339      -7.07999372    
 O    3.88444805       11.9395838      -14.1226845    
 H    4.19983101       11.0203838      -14.1931829    
 H    4.57562160       12.4961481      -14.4704046    
 O    2.07711458       8.20133018      -15.3916359    
 H    1.76742244       7.81136513      -14.5576048    
 H    1.92178679       7.54982138      -16.0709114    
 O   -3.49687552       8.32344818      -11.4581528    
 H   -4.30576038       8.12167072      -11.9199400    
 H   -3.60348916       9.21317673      -11.0753641    
 O   0.927760959       7.96147537      -6.29411459    
 H    1.53380549       8.69220352      -6.46558237    
 H    1.26557505       7.20693541      -6.79379225    
 O    1.72329664       11.7400761      -9.06007767    
 H   0.875048876       12.2063761      -8.98466206    
 H    2.05165362       11.8477917      -9.96286869    
 O    2.74738002       10.1131210      -7.10342741    
 H    2.39617968       10.7633343      -7.73586750    
 H    3.32601404       10.5909376      -6.51447010    
 O    1.30177104       7.35287189      -12.8726025    
 H    2.01519418       7.85097980      -12.4457684    
 H   0.484667778       7.85027981      -12.7170715    
 O    1.94352186       5.89233112      -8.03762817    
 H    2.18631315       4.99996662      -7.80751467    
 H    1.43398011       5.83918333      -8.86798000    
 O   -1.97548807       6.71336126      -9.64794827    
 H   -2.58576703       7.16969109      -10.2387991    
 H   -1.87363589       7.28931332      -8.87983418    
 O  -0.164675385       11.3911915      -13.0352068    
 H   0.279797494       11.3182716      -13.8924742    
 H  -0.455259651       10.5012646      -12.7859259    
 O   0.508301437       9.31572914      -9.78691483    
 H   0.816784084       10.2059546      -9.57578373    
 H    1.26605475       8.73425388      -9.65336704    
 O    1.39215422       11.0007744      -15.2421217    
 H    2.23306203       11.4048195      -14.9951525    
 H    1.57728493       10.0626793      -15.3751974    
 O    4.46226406       9.29089260      -14.2184839    
 H    3.78626585       8.86217594      -14.7573910    
 H    4.23315907       9.06934261      -13.3037567    
 O   -1.95684111       12.8410473      -11.5838261    
 H   -1.31600857       12.3829651      -12.1537838    
 H   -2.24622893       13.6136103      -12.0627918    
          69
 Energy    -250.88934667170912     
  O     13.12980983     10.33000732    -17.29276020
  H     13.48673634     11.17418586    -16.99529700
  H     18.21775278      9.51251942    -12.21633970
  O     15.39969505      7.80231443    -12.27844648
  H     12.59054776      9.99552031    -16.56108885
  H     16.88231152     10.02550280    -16.56107880
  O     16.16946478     12.18685932    -11.80965819
  H     15.25499224      8.32400090    -13.08420187
  H     16.16014030      8.77126015    -17.19322090
  O     16.88074042     11.75477654    -16.25073194
  H     15.95064852      8.34880974    -11.70516656
  H     14.00901180      9.14551243    -14.83131477
  O     11.95473287     11.49786600     -9.84016673
  H     16.90900266     12.35760228    -12.40516894
  H     15.53218250      9.20174363    -15.20470365
  O     12.70760614      7.73838364    -11.80991504
  H     15.39033078     12.10094317    -12.37859555
  H     11.84837073      9.73364174    -14.18158785
  O     14.06736393     11.71945286    -13.52738565
  H     17.31052711     11.99822717    -15.42110608
  H     11.84315598      8.31682974    -14.80864443
  O     16.26178979      6.03439663    -14.28420314
  H     16.01348238     12.17657038    -16.25114873
  H     15.59602154      9.26500525     -7.56232238
  O     12.91798932      8.84809759     -9.21992090
  H     11.40682410     12.07262038     -9.31271822
  H     14.54685719      9.22911547     -8.69840943
  O     18.52449205      7.64671868    -14.97556935
  H     12.87390762     11.79764396     -9.72036468
  H     12.64137866      6.40093449    -14.83503684
  O     14.01031710      6.36405787    -15.86185889
  H     12.34472519      7.22415192    -12.54005905
  H     11.26187330      5.82504714    -14.43335051
  O     18.71833276      9.71271494    -13.01720532
  H     13.67258521      7.69433427    -11.90065884
  H     19.02867237     12.75305898    -13.75068484
  O     16.81518890      9.05714648    -16.54465421
  H     13.27211983     11.40203592    -13.08079035
  H     18.44964762     11.33501801    -13.53420643
  O     14.89429825      9.32949534    -14.49321160
  H     14.50170433     10.92034125    -13.86967718
  H     16.63939326     10.50894084    -11.16053118
  O     12.04196883      9.24424320    -14.99128607
  H     15.98991824      6.46299875    -13.46143079
  H     16.52164293      9.55222303     -9.95144597
  O     15.42424390      9.57053815     -8.44887846
  H     17.10077954      6.44948895    -14.51531457
  H     14.94000919     11.34378246     -9.02075715
  O     11.86679305      6.54039206    -14.25810769
  H     12.76918316      8.33368131    -10.02396582
  H     15.16907485     12.29556336    -10.21248284
  O     18.21600191     12.25369224    -13.76401829
  H     12.45971369      9.68698031     -9.35144346
  H     11.79099235     10.81809498    -11.55415402
  O     16.90186895      9.63595042    -10.83477601
  H     19.28835419      7.35842272    -15.46926516
  H     12.20564592      9.46387189    -12.17291516
  O     14.57481818     12.11463695     -9.47308719
  H     17.96031064      8.14198764    -15.59569756
  H     14.08249904     12.48414705    -15.14841693
  O     11.92606265     10.36482064    -12.39574976
  H     14.23372814      6.90276166    -16.62667216
  H     13.85417216     13.61698873    -16.17502426
  O     14.19377113     12.73023931    -16.08183235
  H     14.83206654      6.19687115    -15.37512501
  H     14.46875632      7.98063669    -18.95738539
  O     14.62614642      8.20721833    -18.04471888
  H     18.66349552      8.94227840    -13.59466875
  H     14.06926138      8.98213217    -17.84774005
          69
 Energy    -250.88871246051374     
  O     18.18436031      9.98398178    -17.83836480
  H     19.00737897     10.47386791    -17.71862219
  H     16.89179108      5.53544992    -14.98383004
  O     14.97010256      6.50221901    -12.60313030
  H     17.46565596     10.57639958    -17.58101199
  H     16.63512953      7.07996406    -11.80294229
  O     16.90500310     14.01582313    -13.72409784
  H     14.51088000      5.78956801    -12.16643321
  H     17.26013721      8.40802660    -11.34744611
  O     21.25968303      8.97817041    -13.26822850
  H     15.29070198      6.14760255    -13.45145303
  H     21.03058852      8.08257919    -16.48465616
  O     15.28480658      7.02210494    -17.35433199
  H     17.62563096     13.60777080    -14.22093546
  H     21.36871593      8.83380809    -15.16582528
  O     13.88300875     11.99104180    -13.13460619
  H     16.13468292     13.97931724    -14.30522995
  H     18.19426028      8.89144838    -16.19869440
  O     14.54434786      9.25460754    -12.91193189
  H     20.46753306      9.54139045    -13.24665608
  H     18.18795408      7.64180971    -15.24588779
  O     18.60612456     12.43427559    -15.32434044
  H     21.88274818      9.35525609    -12.65181089
  H     15.64472534     12.25775893    -16.27798722
  O     19.76450183      6.57582590    -12.71190334
  H     14.49050918      6.95799748    -17.87952103
  H     15.83103883     10.72719556    -16.21866802
  O     15.31117777      9.12101729    -15.56164873
  H     15.17472637      7.79637895    -16.77755858
  H     16.57795184     11.15128615    -11.43418486
  O     18.66919954      5.88949127    -15.07767165
  H     13.91759555     11.02813889    -13.07000316
  H     17.59335075     10.32312842    -12.25862084
  O     15.92418037      5.56190920    -14.95696513
  H     14.47408480     12.32094401    -12.44593104
  H     16.38009257     13.35192310    -12.19051295
  O     17.45088886      7.47030170    -11.46821935
  H     14.54217934      8.30045797    -12.76098948
  H     15.98214003     13.56697177    -10.71038440
  O     21.32166864      8.92882458    -16.12509407
  H     15.34049481      9.59339460    -12.47479230
  H     18.86163830     11.17985152    -14.01521205
  O     17.96078145      8.57790391    -15.31670384
  H     19.33417620     12.19146847    -15.90949655
  H     18.56539878      9.66483862    -14.07643142
  O     16.23003390     11.54255679    -16.55641102
  H     17.79332981     12.12054519    -15.74842832
  H     13.86495571     14.00512936    -15.58274716
  O     16.83515153     10.24958633    -11.66088622
  H     20.34895404      7.33477668    -12.80922637
  H     14.25971635     12.90065198    -14.57253163
  O     15.98314394     12.92165959    -11.41211675
  H     18.99794196      6.87561394    -12.19861636
  H     20.79280171      5.93515641    -17.87508775
  O     18.90575448     10.36629074    -13.49720897
  H     16.23601761      8.87021525    -15.40246310
  H     19.47612753      6.73955304    -17.76005162
  O     14.58495628     13.43991697    -15.31658766
  H     14.90449815      9.19088149    -14.68888811
  H     21.24460389     11.70882653    -17.59087066
  O     20.30019335      6.50893900    -17.29395340
  H     19.11785400      6.02276801    -14.22614867
  H     20.87835154     10.48094126    -16.72151549
  O     20.54134654     11.32527059    -17.07405383
  H     19.32773337      5.92218559    -15.77991347
  H     17.07422022      7.08759578    -18.11280312
  O     17.96049209      7.29538526    -18.43017959
  H     15.64774003      5.91970175    -15.80726127
  H     18.01833397      8.26195355    -18.43125037
          69
 Energy    -250.88784454295427     
  O     14.38906278     10.54087725    -17.19293751
  H     14.05414086     10.67884903    -16.28779296
  H     20.34105087      6.57055287    -12.61293314
  O     15.51979919      6.40814754    -12.62551421
  H     13.85820734     11.08604064    -17.76706971
  H     19.12196664      8.82797485    -18.85098616
  O     18.83457834      9.61192862    -12.00328406
  H     15.13371047      5.61972035    -13.02179412
  H     18.06183207      9.21696734    -17.79419255
  O     20.10189350      7.65701873    -15.89748439
  H     15.86416505      6.92953067    -13.36915387
  H     15.92492018      7.74855762    -15.46168463
  O     12.86943547      6.67238819    -15.04864297
  H     18.43715589     10.28609600    -11.43945171
  H     16.89494753      8.63079776    -14.61917211
  O     14.10040177      8.57463146    -11.63605005
  H     18.44908950      8.76920872    -11.72212841
  H     14.07855512     11.03803736    -13.95141397
  O     17.39338123     10.33033608    -14.25769532
  H     19.61802788      7.97676785    -16.66453977
  H     12.89480165     10.12097747    -14.31186084
  O     16.39656169      4.54776553    -16.21040556
  H     19.63414694      6.85773434    -15.61938756
  H     12.26093254      7.92909840    -14.03893079
  O     16.10212349      8.90773260     -9.63691880
  H     13.43112256      7.04058685    -15.74515249
  H     11.03103913      8.61819062    -13.39897332
  O     18.45791297      5.66837148    -14.75455371
  H     13.29816934      5.85453852    -14.77260646
  H     20.32264236      8.76711998    -12.86004463
  O     14.44916680      4.40552852    -14.30832726
  H     14.54062129      7.76843228    -11.94260113
  H     20.69135865      8.07593465    -14.20612364
  O     19.89517831      5.76327977    -12.29415216
  H     13.27754522      8.63232047    -12.13690480
  H     16.97497227      6.79204686    -11.60376140
  O     18.51969534      8.46208729    -18.20782040
  H     16.61250644     10.61640919    -13.76409325
  H     18.49444053      6.59110607    -11.38911313
  O     16.57698593      7.72911145    -14.75044343
  H     18.05551248     10.11352667    -13.58803938
  H     16.78197624     10.47001954    -10.01864630
  O     13.48034584     10.79900825    -14.67083413
  H     16.42542939      5.10748671    -16.99277549
  H     17.29532909     11.89266544     -9.68433119
  O     11.97841176      8.67978161    -13.48493423
  H     17.19678379      4.76913462    -15.71062375
  H     16.62080984      6.14405572    -19.30824462
  O     20.87527119      8.08151531    -13.25475769
  H     15.28661230      8.78716908    -10.14094520
  H     17.31968415      7.12117786    -18.33852531
  O     17.74582472      7.14636130    -11.13775040
  H     16.71327920      8.23311201     -9.96253712
  H     15.87852941     11.25508167    -11.82451534
  O     17.15888392     11.28266198    -10.40385652
  H     17.84522739      6.41986512    -14.71003484
  H     14.90618727     10.11976858    -12.21739881
  O     16.60038576      6.47277109    -18.41245255
  H     18.88756925      5.59140383    -13.89482591
  H     17.38999264     10.55174705    -16.07130066
  O     15.29758976     10.94882974    -12.53095339
  H     15.11846823      4.42526178    -15.01543803
  H     16.27825363     10.61120602    -17.13920516
  O     17.22857674     10.49570830    -17.02372573
  H     14.18693197      3.49440150    -14.20797944
  H     14.57910454      8.71025975    -17.07372789
  O     14.69119528      7.78082731    -16.83526906
  H     20.57748667      5.17346023    -11.98640453
  H     15.25109859      7.35809629    -17.49815131
          69
 Energy    -250.88735036903364     
  O     11.67734228      9.90345850    -15.65791090
  H     12.06735762     10.75294061    -15.42079974
  H     19.58983879      8.87673624    -13.99932236
  O     16.52367683      7.09643626    -12.33095267
  H     11.38166113      9.48687892    -14.83948536
  H     14.47581933     10.21502079    -17.22564670
  O     16.61408399     11.50148077    -11.50758064
  H     15.68323870      7.03746785    -11.85562022
  H     15.78302804     10.79619889    -16.62161798
  O     17.32157207     10.30850581    -15.67929278
  H     17.10507305      7.67906307    -11.82319350
  H     16.14682296      9.46301042    -14.57833601
  O     14.38315144      7.05991217    -15.53173587
  H     16.41164386     11.62640615    -10.57150588
  H     15.92459360      8.43125048    -13.41746241
  O     13.60221426     10.04393450     -8.78821929
  H     15.76570972     11.46680799    -11.97335900
  H     11.44293340      7.74364323    -13.37579382
  O     14.06183935      7.19148553    -11.07040296
  H     17.93982866      9.57216921    -15.78339902
  H      9.98048977      8.21503306    -13.18596433
  O     14.25126227     11.21098991    -12.91399741
  H     17.70944594     10.92778953    -15.04707538
  H     17.51910414      8.85064310     -9.34925139
  O     14.75358145      7.44418964     -8.35876900
  H     14.00351657      7.46764042    -16.31889201
  H     16.73984131      9.84797793     -8.48060097
  O     18.96987311      8.05622957    -15.62828150
  H     14.69800957      7.80060256    -14.99093197
  H     13.20480268      6.52147103    -14.16832275
  O     17.06051946      6.26967202    -14.93689430
  H     13.86303130      9.15079904     -8.53236554
  H     13.13640165      6.49781437    -12.61588070
  O     19.78138902      9.39114238    -13.20562768
  H     13.13132401      9.95185663     -9.62772426
  H     18.75708858     12.77264897    -13.57401455
  O     14.90077465     11.03180850    -16.93624650
  H     13.60280429      8.03407726    -11.19473209
  H     17.78534450     11.82717536    -12.83492418
  O     15.48696008      9.07967445    -13.98530514
  H     14.25988488      7.13243433    -10.12727235
  H     18.76450633      9.08858670    -11.75060551
  O     10.87312093      8.53124375    -13.29846545
  H     13.86685910     11.72098997    -13.63661483
  H     17.51248833      9.85835113    -11.25727941
  O     17.02245390      8.92669330     -8.52281863
  H     14.63368162     10.41086641    -13.31415996
  H     15.00308164     11.07488457     -8.79892037
  O     12.59945808      6.46208367    -13.41726859
  H     14.77953511      6.86177129     -7.60461951
  H     15.79460640     12.23097072     -8.14305351
  O     18.38528220     11.89415739    -13.59607746
  H     15.61239165      7.90317615     -8.38956036
  H     12.63738362      9.11189553    -16.87131428
  O     18.03442052      9.05754582    -11.11556739
  H     19.59094744      7.65312831    -16.22892009
  H     12.79090184      8.58609266    -18.31886542
  O     15.85230839     11.55314506     -8.81109135
  H     18.31084586      7.37343771    -15.40810591
  H     11.91952280      9.30626717    -11.95812322
  O     13.27029126      8.72985218    -17.50733880
  H     16.17092886      6.35880176    -15.30072946
  H     13.14859196     10.24668283    -11.87260189
  O     12.62375802      9.60645056    -11.37100919
  H     16.95615898      6.36708495    -13.97922163
  H     13.84200200     11.91399381    -15.88051928
  O     13.20805201     12.30669991    -15.25216774
  H     19.46743179     10.28559372    -13.38663465
  H     12.95682957     13.15478877    -15.60733105
          69
 Energy    -250.88699851121203     
  O     -3.56923547      3.52988259     -2.77931851
  H     -3.74755373      4.12906344     -2.03162354
  H     -1.76490254      0.62489021      3.86356965
  O      1.10770929      2.72315314      5.17425599
  H     -4.19980667      3.74481982     -3.46121227
  H     -1.65300186      3.57972134     -3.07959888
  O     -1.27476459      3.10992137      0.33420526
  H      0.93794425      3.57733678      4.75570928
  H     -0.36004681      2.72763483     -2.93486897
  O      0.28255486      1.14379975     -2.39222389
  H      0.32998308      2.17826903      4.99516502
  H     -2.69806359      0.70734605     -1.23435614
  O      1.00613683      0.23877261      2.48452688
  H     -1.30055249      4.02192989      0.01785165
  H     -3.37271233      2.05326857     -1.68907388
  O      0.66366398      4.90259728      3.38722395
  H     -1.94021413      2.59170167     -0.13614105
  H     -0.25031125     -0.83980422      1.54992538
  O      0.78434619      5.63712230     -2.16944647
  H      0.75550121      1.32721704     -1.56905573
  H     -1.76726906     -0.99555786      1.76599525
  O     -3.88782592      5.11408707     -0.59790197
  H     -0.32457240      0.42533318     -2.18172479
  H     -3.48223748      4.10831226      2.49822503
  O      3.15619532      1.65662013      3.73865755
  H      0.29676849      0.60640072      3.03254738
  H     -4.89533452      4.67745371      2.75602630
  O      2.27832553      5.99136113      0.25515026
  H      1.83170795      0.54051884      2.88065614
  H     -1.00493903      4.20649987      3.18026432
  O     -1.23484165      5.88275821     -0.24579386
  H      0.53663785      5.77369196      2.99240916
  H     -1.62456227      3.41161536      2.01036547
  O     -1.07951999      1.27603741      4.05794268
  H      1.29906502      4.44523571      2.81662720
  H     -1.79862350     -1.62465443     -1.88847126
  O     -0.69241212      3.62024368     -3.11483624
  H      0.30455813      4.87633882     -2.54619956
  H     -1.40172914     -0.94519790     -0.55696198
  O     -3.17604968      1.48982736     -0.93009314
  H      1.06805406      6.16786885     -2.90923866
  H     -3.57266201      0.20768869      2.53744190
  O     -1.05941211     -1.15634487      1.12995522
  H     -3.02804491      5.54513135     -0.48925952
  H     -3.68857738     -1.04039760      3.44578031
  O     -4.36966674      4.20684530      2.11349888
  H     -4.14195077      4.80710580      0.27984304
  H     -4.51003445      2.31697260      1.78436202
  O     -1.79174938      3.71070962      2.91953057
  H      3.90707361      1.40860820      4.27100109
  H     -4.04736951      1.37246235      0.65879272
  O     -1.64203861     -0.77488597     -1.48576052
  H      2.48904875      2.02509871      4.34579505
  H      2.95891922      3.01754911      2.39104287
  O     -3.05940370     -0.44474111      3.04810187
  H      1.89756761      5.75009733     -0.59852612
  H      2.11130339      3.02703069      1.10413914
  O     -4.37700940      1.38768906      1.56881060
  H      2.53387004      5.17145589      0.69853121
  H      0.28051180      2.29413949      0.20606995
  O      2.55582703      3.60573117      1.74225179
  H     -0.82770826      6.34705264      0.49498560
  H      1.10506633      1.18795473      0.91116377
  O      1.13560858      1.83561221      0.19441557
  H     -0.58903902      5.89521643     -0.96543251
  H      0.51069706      8.09970332      1.87082114
  O      0.36040996      7.16743308      1.74045173
  H     -1.40407571      2.11658568      3.70410377
  H      1.10961607      6.83013689      1.21335708
          69
 Energy    -250.88462459407941     
  O     18.18289290      4.51950388    -11.01239517
  H     17.38653997      4.01714095    -11.23990133
  H     16.33977961      9.09684375    -14.92877867
  O     17.44061102     10.24620940    -13.96301343
  H     18.03578012      4.88790068    -10.13525032
  H     12.00831932      5.20091786    -13.43774002
  O     12.95430037      7.66441986    -11.90141508
  H     18.01058586      9.66955869    -13.42352181
  H     13.46302140      4.76599596    -13.16675194
  O     11.30303914      5.59148694    -15.03398049
  H     17.98935301     10.96432152    -14.26718103
  H     14.78886905      7.32506525    -11.81001536
  O     15.12593823     10.71461786    -12.31899118
  H     12.88122283      7.77519308    -10.94587538
  H     15.45246737      6.25718193    -10.91996325
  O     17.51104310      8.17953073    -10.05457312
  H     12.77112885      6.74011075    -12.12308924
  H     20.17938357      5.39434263    -13.27453973
  O     18.95350535      8.61855645    -12.41238142
  H     11.92945613      5.15615010    -15.62621856
  H     18.99778809      5.35996017    -12.27571241
  O     13.49222388      4.57163763    -16.62053691
  H     11.28132011      6.51485724    -15.31398301
  H     13.94108902      8.68012965     -9.29459576
  O     17.45021980      5.77003994     -8.52318140
  H     15.94160256     10.62999578    -12.82737234
  H     12.66381635      8.37598534     -8.47066915
  O     11.58273576      8.31324978    -15.92824120
  H     14.42215545     10.42329782    -12.90928348
  H     14.21898007      4.93479743     -9.49861335
  O     13.96418384      7.20016089    -17.06372741
  H     17.66870642      7.46765998     -9.42425164
  H     14.23623464      6.43706290     -9.07767473
  O     15.74873108      8.39265341    -15.22379642
  H     16.88105675      7.81612578    -10.69748290
  H     13.15205018      8.73095958    -13.29473585
  O     12.64185851      5.02916072    -12.72552652
  H     18.60109924      8.56992590    -11.51355994
  H     14.17437096      8.94505445    -14.45954980
  O     15.62461359      6.87192931    -11.64327797
  H     19.19248951      7.71485243    -12.64977576
  H     16.06559704      9.36590893     -9.67676046
  O     19.38261739      5.85323571    -13.02416955
  H     13.47200897      4.09580004    -17.44640545
  H     15.12620541     10.17604729    -10.59535781
  O     13.25567078      8.00643767     -9.11960110
  H     13.72256124      5.49426095    -16.83345472
  H     12.89996101      4.13812636    -11.21570790
  O     14.78921206      5.65202125     -9.19314549
  H     16.49143456      5.67822801     -8.65696787
  H     12.57796345      3.01694567    -10.20110550
  O     13.34612777      9.27098274    -14.07681698
  H     17.63300033      5.47974494     -7.63324747
  H     17.72522120      6.00507673    -13.85193140
  O     15.18438297      9.75560179     -9.72408087
  H     10.96276541      8.97099756    -16.23209143
  H     16.40971699      6.39457887    -13.13941458
  O     13.21589553      3.69440585    -10.40983034
  H     12.13794005      8.74243324    -15.25462930
  H     14.98509501      3.23085216    -11.19191972
  O     16.78336135      6.14578929    -14.00112957
  H     14.65291570      7.65496571    -16.56143015
  H     15.52767346      3.42246292    -12.61417198
  O     15.80026713      3.25179634    -11.70254811
  H     13.13236630      7.62772878    -16.82401518
  H     14.42931010      4.20615518    -15.05836304
  O     14.85714802      4.19931116    -14.19324792
  H     16.12508769      7.57167320    -14.87515525
  H     15.57331101      4.85089469    -14.22755714
          69
 Energy    -250.88404097671852     
  O     10.59358122     10.36938330    -10.14482186
  H     10.98800999      9.60672370    -10.60625911
  H     13.09306769     13.97650485    -15.78982538
  O     14.54655058     11.02049879    -12.90639488
  H      9.82784009     10.04472837     -9.67868694
  H     17.50211362     11.36877201    -17.59355936
  O     16.68855316     13.50634327    -14.86100982
  H     15.47365764     11.29405315    -12.87120110
  H     16.14740366     11.29073615    -16.85529605
  O     10.78007342     11.71791971    -12.62768959
  H     14.00601913     11.80758685    -12.77739146
  H     13.38823412     13.20762939     -9.66089705
  O     11.42112787     14.25444077    -16.58886836
  H     16.94939032     12.86773127    -15.53595072
  H     13.65721575     14.72669785     -9.50713779
  O     14.35845475     11.30958741    -16.76404858
  H     15.75988047     13.70559499    -15.03397724
  H     17.55771763     10.37150216    -13.72596868
  O     15.10508291     10.00584072     -9.18518473
  H     11.00177862     10.94696786    -13.17131736
  H     17.46498889     10.14093248    -15.24202356
  O     13.02595856     13.31865225    -12.68993556
  H     10.60293462     11.38152291    -11.74173949
  H     15.50833270     13.09314278    -10.17370093
  O     13.97146045      9.29536463    -14.92156655
  H     10.79495741     13.81711060    -15.98410621
  H     15.94736185     11.66366404     -9.81591926
  O     12.82836271     11.70632427     -9.03287641
  H     11.00828441     15.06512306    -16.87380667
  H     12.21342815      9.33734652    -14.51921685
  O      9.88734743     10.33642090    -16.45797973
  H     14.20031038     10.53310654    -16.20759025
  H     10.76222676      9.64560467    -14.97242864
  O     13.85745356     13.63998261    -15.30628404
  H     14.19444792     12.09606935    -16.22081059
  H     16.56555136      8.30527184    -14.00111843
  O     17.10993759     11.31841622    -16.72535740
  H     15.53420959      9.46918926     -8.52300601
  H     16.37331372      6.76967346    -14.01503110
  O     13.78211308     13.98691196    -10.09526275
  H     14.96724469      9.43598998     -9.95903937
  H     11.65541550     12.62679962    -17.58097149
  O     17.53312798      9.67665524    -14.39970328
  H     13.26270183     13.66025728    -11.81828267
  H     12.69587689     11.49486207    -17.63632967
  O     16.26004063     12.48991239    -10.20309449
  H     12.18273057     12.84873571    -12.61585863
  H     11.53014170      8.61203604    -12.52251548
  O     11.30795837      9.45645788    -14.19907703
  H     14.17587791      9.97660809    -14.25801152
  H     12.70724843      8.36925620    -11.54743721
  O     15.93725881      7.58772903    -13.79444917
  H     14.55041697      8.55501466    -14.71007046
  H     17.08332743     12.57389794    -13.35378119
  O     11.77642529     11.70563241    -17.84401404
  H     12.04744309     11.24307672     -9.35901399
  H     16.99737754     12.17801895    -11.82445414
  O     11.74426182      8.40919150    -11.60209444
  H     13.54779833     11.06295975     -9.00707238
  H      9.62222991     11.98309070    -15.49043436
  O     17.17652498     11.84919082    -12.71657888
  H     10.56618045     10.76386651    -17.01087003
  H      9.97643623     12.56714979    -14.11241418
  O      9.73289564     12.81506473    -15.01323631
  H      9.26283303      9.93059565    -17.05308025
  H     14.50244150      9.54433093    -11.94485460
  O     14.58187399      8.66697502    -11.53469240
  H     13.58632622     13.59128006    -14.37801297
  H     15.07382968      8.13485768    -12.17076020
          69
 Energy    -250.88197528367272     
  O     -6.25176273      1.54586499     -0.03378866
  H     -5.58791836      2.22603743     -0.21623776
  H      1.41126942      3.27229945      3.28964871
  O     -5.00679777      2.13654444     -4.51120312
  H     -6.40460683      1.57554086      0.91902707
  H     -1.54542695      4.97471205      1.43073675
  O     -6.24596966      1.61242361      2.78383801
  H     -4.59540614      1.25270315     -4.55070187
  H     -0.55317021      4.40768478      0.39764195
  O     -0.49463958     -1.28250772      1.56025509
  H     -5.24272683      2.37037680     -5.40509828
  H     -3.59020020      2.73333085      0.08241868
  O     -2.46861643     -0.72351297     -0.35450884
  H     -5.53746946      2.24672249      2.99575045
  H     -3.83411033      3.26735577     -1.33735204
  O     -3.83478249     -0.30050734     -4.36253309
  H     -6.93773831      1.74915837      3.42574934
  H      1.80928969      1.14345313     -2.25939560
  O     -5.21182509     -1.07544610     -0.15751881
  H     -1.14085808     -1.29062436      0.84081070
  H      1.04095152      1.04151543     -0.91927387
  O     -1.61725076      0.32858963     -2.72729321
  H     -1.01701095     -1.22943969      2.36863964
  H     -1.39853999      3.40274208     -1.76622055
  O     -2.86970231      2.84320682     -2.83484682
  H     -3.40347661     -0.95750957     -0.30771633
  H     -0.03319110      2.75124928     -1.43163736
  O      1.07898591      0.84612462      0.77752022
  H     -2.38678388      0.14535976      0.07084012
  H     -6.50056581     -2.24860545     -3.21953547
  O     -2.24633455     -0.87483266      3.79743812
  H     -4.40319287     -0.88182915     -3.84301210
  H     -6.33510608     -0.75803599     -2.83264997
  O      0.69147156      2.87678250      2.80529957
  H     -2.99931972     -0.21643861     -3.88380922
  H     -1.86791008      0.92012622      3.68113921
  O     -0.62420691      4.71756488      1.31237433
  H     -5.45102689     -1.43478625     -1.02041470
  H     -0.90081515      2.13139104      3.41255966
  O     -4.16842866      3.32091315     -0.43267510
  H     -5.56279579     -0.17333396     -0.13470844
  H     -5.23055944      0.00199001      2.75401914
  O      0.94385755      1.23510670     -1.87095012
  H     -1.91748736     -0.13436868     -1.92974492
  H     -4.86453935     -1.06790383      1.71197728
  O     -0.68369198      3.39271036     -1.11727695
  H     -0.69195530      0.55168681     -2.57396995
  H     -2.08549181      1.83431672      1.65995338
  O     -5.88972619     -1.62552503     -2.83459883
  H     -3.58629421      2.77082240     -3.47714541
  H     -1.56566494      2.28775008      0.25055065
  O     -1.82651492      1.86388148      3.47597599
  H     -2.45908940      1.96593581     -2.79646599
  H     -3.77683675      4.68279623      0.67991095
  O     -4.68059409     -0.77827341      2.61403660
  H      1.02627007      1.50823540      1.47369139
  H     -3.86019799      6.12482434      1.22860674
  O     -2.25250411      1.78955853      0.71078970
  H      0.59437350      0.06813937      1.09321582
  H     -6.34256596      1.45868500     -3.26441949
  O     -3.46414640      5.27120626      1.38725665
  H     -2.29864557     -1.46599990      4.54363011
  H     -6.81028552      1.20723821     -1.80396705
  O     -6.89836200      0.89394908     -2.71401224
  H     -3.12378627     -0.88149467      3.37336900
  H     -3.37891231      2.83729416      3.50650994
  O     -4.20921206      3.30182998      3.33073756
  H      0.26061376      3.59441424      2.30592554
  H     -3.98123824      4.05553531      2.77527994
          69
 Energy    -250.88122402705579     
  O     12.28468707     11.36215111    -14.74804882
  H     13.00263694     11.23630966    -15.38284823
  H     16.38565706     13.11975809    -14.35551070
  O     16.60253728      7.14991430    -14.04530064
  H     12.61890382     11.98125452    -14.08853033
  H     15.98460820      8.85597163    -14.04285963
  O     16.51702124      9.95171664    -10.31454397
  H     15.79872456      6.71365700    -13.73390967
  H     16.70848619     10.17988668    -14.32375882
  O     14.53394981      8.32886278    -17.59230536
  H     17.14845631      7.35314920    -13.27205771
  H     11.56169432      9.82840922    -14.37236451
  O     13.58479240      6.91191400     -9.58376912
  H     16.29549025      9.38304704     -9.56689401
  H     10.28337393      8.95701862    -14.36562065
  O     14.16891358      6.18260590    -13.13008049
  H     15.68771954     10.14456718    -10.77785260
  H     16.76646724      6.72293650     -9.37862670
  O     14.33869768     10.48504198    -11.87923809
  H     14.03356985      7.90385586    -16.87175773
  H     17.57587438      6.66010567    -10.68554612
  O     18.19991729     10.50767086    -15.42803988
  H     14.25204995      7.91388072    -18.40280899
  H     12.43430193      7.82283219    -15.13478313
  O     14.92392742      4.71462878    -10.86684649
  H     13.14890310      7.38078416    -10.30767123
  H     13.48954860      6.74816302    -14.80994877
  O     17.24599219      8.19618248    -16.58381300
  H     13.90734230      6.08315655     -9.95913598
  H     17.45093077     11.31614040    -11.04673358
  O     19.48622590     10.07176293    -13.00016467
  H     14.39510991      5.54999492    -12.43707464
  H     18.34213410     12.56612718    -10.90144773
  O     16.12137756     13.26117496    -13.43929228
  H     13.69034826      6.90194963    -12.69315854
  H     17.45760771      8.66756259    -11.32992214
  O     15.86843351      9.81545433    -14.01650711
  H     13.96262393     11.35877046    -12.03366445
  H     18.68246897      8.62562723    -12.25632848
  O     11.21846374      8.93739287    -14.18023317
  H     14.87829415     10.27421153    -12.65979971
  H     14.92017704      7.68976149     -8.77860249
  O     17.09927295      6.11224775    -10.04722515
  H     17.94365171      9.72806379    -15.94743414
  H     15.63806952      8.04903087     -7.45575350
  O     13.13102076      7.28367138    -15.52831191
  H     17.82022793     11.28620790    -15.84867983
  H     15.80406382     12.08382690    -16.35665953
  O     17.90358533     12.01506375    -11.54666825
  H     15.75533824      5.14972675    -10.60420861
  H     16.54099180     13.30208215    -16.96095481
  O     18.01974884      8.06213601    -11.83103052
  H     15.01663097      3.79080122    -10.65136079
  H     13.27167532      9.04887130    -11.83236015
  O     15.74037762      8.05893229     -8.40355786
  H     16.38635204      8.21014303    -17.01929066
  H     12.08334492      8.43308785    -12.60174813
  O     16.55658305     12.68680676    -16.23229445
  H     17.11772067      7.67845250    -15.77606700
  H     13.20622418     13.82121764    -12.36740626
  O     12.72800773      8.25095632    -11.90724569
  H     19.08659532     10.80139481    -12.51254399
  H     14.44532908     13.16196623    -13.02026473
  O     13.51753185     13.01132060    -12.76189065
  H     19.20847719     10.20268054    -13.91784467
  H     14.51480464     10.03451190    -16.87658653
  O     14.57439904     10.77877020    -16.26459968
  H     16.77913026     12.83735554    -12.87442918
  H     14.95293672     10.41455328    -15.44854514
          69
 Energy    -250.88046831377426     
  O     15.13467635     10.39164227    -10.79791174
  H     15.08899438     10.78504120    -11.68046509
  H     12.44289972      8.93175706    -10.26571519
  O     13.58807432      9.91429033    -16.62967112
  H     15.96801803     10.63102566    -10.37345815
  H     18.21507716      6.55939545    -14.77614957
  O     17.44857481     10.25438173    -14.22193673
  H     13.74482095     10.83940817    -16.40140687
  H     17.81487587      5.25745717    -14.05042816
  O     16.94373553      8.04857459     -8.45983330
  H     13.27695781      9.49123655    -15.81972433
  H     15.38191035     12.27132511    -16.13273645
  O     16.89472337     11.55842697    -16.63741682
  H     16.55386860     10.45631630    -13.91958145
  H     14.33643682     13.40966721    -16.02852841
  O     15.84273833      7.84674538    -11.76501432
  H     18.01895633     10.24595220    -13.43985676
  H     13.79790967      8.04376059    -14.22965069
  O     14.81424872     10.94888111    -13.46820090
  H     16.01912084      7.86391537     -8.25538682
  H     12.64477042      8.47134827    -13.29955964
  O     18.56813827      7.26891207    -11.73077881
  H     17.32569752      7.21920896     -8.77053559
  H     15.73775032      8.94366537    -18.77305250
  O     18.85806734     10.02015338    -11.89376197
  H     17.27625468     11.20123813    -15.82236017
  H     15.04198688      9.35266257    -17.45382704
  O     16.10087909      4.33872991    -13.77409197
  H     16.68880561     10.79116359    -17.18486815
  H     12.64501238      7.06568125    -11.32354384
  O     16.07730885      4.32635931    -10.92185698
  H     16.79863147      7.71203057    -11.71773254
  H     11.14915598      7.18803520    -11.68392859
  O     12.90603976      9.36600352     -9.54116318
  H     15.63929437      8.72398217    -11.41933908
  H     13.75744323      7.43966943     -7.13992205
  O     18.51406569      5.91783171    -14.11745219
  H     14.65812953     11.60268742    -14.16051082
  H     13.68122766      8.23678255     -8.46534512
  O     14.50034484     12.50263333    -15.78705143
  H     14.22273395     10.20429885    -13.64834626
  H     14.03409142      6.50924806     -9.56962177
  O     13.15802537      8.75302233    -14.06533614
  H     18.55514873      6.65567948    -10.98720076
  H     14.71891553      6.76116485    -10.93198280
  O     15.90282806      9.13553629    -17.85383839
  H     18.65500297      6.75713974    -12.54928280
  H     17.34642025      5.09796371    -10.00269057
  O     11.97851880      7.66050185    -11.70534490
  H     18.50651360     10.30263164    -11.04239002
  H     18.56762036      4.97287134     -9.06195976
  O     14.15921397      7.52602450     -8.00011533
  H     18.91976874      9.05537146    -11.83562188
  H     15.40616235      7.23893546    -13.34964193
  O     14.03580342      6.22669457    -10.49343534
  H     15.66616147      5.18389763    -13.97715192
  H     15.86615478      7.22589331    -14.83073681
  O     18.02721090      5.60609359     -9.52704006
  H     15.75055906      3.69577149    -14.38592181
  H     17.88509773     11.06066090     -8.68122204
  O     15.18282870      6.89470821    -14.23005937
  H     16.12946921      4.23667261    -11.88133422
  H     17.37918356      9.64275657     -9.03713285
  O     17.54503957     10.53242528     -9.39834264
  H     15.25721516      4.80473858    -10.74360640
  H     17.41805497      8.72225337    -15.16255311
  O     17.26463697      7.93248291    -15.70460362
  H     13.65006982      9.83570111     -9.94851988
  H     16.88770461      8.24278883    -16.53682684
          69
 Energy    -250.87657666436471     
  O      1.18384668      1.42397527      4.09425660
  H      1.48721386      0.51062960      4.04083361
  H     -1.13686823     -3.63039805      3.06691769
  O      1.35017690      2.84461756      1.60507208
  H      1.31309860      1.82976113      3.22861636
  H     -5.46325162      0.35653241      4.37621253
  O     -0.88106554     -2.09790842      4.12404207
  H      1.76549462      3.70341641      1.60445958
  H     -4.64817094     -0.46682655      3.35489542
  O      1.18325845     -3.18871069     -2.55884709
  H      0.40619738      2.99059380      1.41024775
  H     -2.55301427      0.11345867     -0.54898636
  O     -1.11980451      0.16272540     -3.80561770
  H     -1.39439903     -1.72797324      4.85606915
  H     -2.92080040     -1.40435294     -0.48124630
  O      1.51212947     -0.50808641     -2.85521032
  H     -1.11477732     -1.55405874      3.35622655
  H     -2.01101141     -2.76843452     -2.58638661
  O     -2.52897737      1.89228335      3.22508137
  H      1.38226215     -2.23944441     -2.65137241
  H     -0.60573456     -2.84457562     -3.20136692
  O     -3.87695612     -4.16484853      1.43744679
  H      1.85216358     -3.65844382     -3.04978741
  H     -1.64797268      0.45346697      2.47544079
  O     -1.28508323      1.23498426     -1.21580541
  H     -1.33208937     -0.77988831     -3.68108990
  H     -2.00061225     -0.51485515      1.32167814
  O      1.41311004      0.87023120     -0.41257008
  H     -1.43959476      0.40485195     -4.67038583
  H      0.52345574     -2.66683896      0.48717255
  O     -4.72917344     -1.48393798      1.96481080
  H      0.70917988     -0.18810742     -3.28437797
  H      0.53600454     -3.47656454     -0.82696454
  O     -1.33934821     -4.27603064      2.37718205
  H      1.62211820      0.03371327     -2.06245220
  H      0.85706447     -1.70499236      4.18271993
  O     -4.57320154      0.16390386      4.09334469
  H     -3.31952904      1.39208480      3.46755858
  H      2.32183204     -1.90361337      4.64217366
  O     -3.11452461     -0.53468099     -0.10315937
  H     -2.03613567      2.03491526      4.04439958
  H      0.24348071     -0.82859801      1.55128268
  O     -1.49061747     -2.48933304     -3.35131603
  H     -2.99422703     -4.25116752      1.84089195
  H      1.55569660     -1.33112464      2.19806368
  O     -1.36996115     -0.35926784      2.03617267
  H     -4.33182664     -4.98816487      1.59313875
  H     -0.17833688      1.76145024      5.09190713
  O      0.11803791     -3.42452151      0.04205668
  H     -1.30673518      0.99393825     -2.15082426
  H     -0.80469662      2.57936938      6.24700330
  O      1.77002698     -1.39169849      4.05705684
  H     -0.37352049      1.09101701     -0.92592099
  H     -3.19701777     -0.39455367      5.31637516
  O      1.11845112     -1.20131610      1.34890196
  H      1.52958904      1.61662451      0.18702028
  H     -1.91788374      0.25556791      5.86906230
  O     -1.00613086      1.93192660      5.57706594
  H      1.42379828      0.08271587      0.15178637
  H     -1.61338613     -3.24830211     -0.51146144
  O     -2.39892914     -0.58044350      5.82761311
  H     -4.33101228     -1.05205317      1.19654291
  H     -3.09310653     -3.57193124     -0.18327578
  O     -2.52223658     -3.14046197     -0.83007236
  H     -4.52269557     -2.42119048      1.87179631
  H     -1.84027081      2.75372931      1.70604031
  O     -1.27394646      3.07616636      0.99230080
  H     -0.73187554     -4.11155731      1.64543256
  H     -1.46702838      2.54529849      0.20983250
          69
 Energy    -250.87655245491180     
  O     15.31198991     12.12295679    -12.04733185
  H     16.05116564     11.76983961    -11.53812941
  H     14.29990800      9.17316025    -16.83587538
  O     13.99708078      6.88933573    -14.71622724
  H     15.52403504     11.95636432    -12.97632792
  H     18.95500725      8.81545008    -12.64364148
  O     16.63347990      5.90776728    -11.13433891
  H     14.55053271      7.60955083    -14.36943532
  H     18.69948873      9.90947472    -13.70970888
  O     18.90504303      7.00824028    -12.52180087
  H     14.43630788      6.08384099    -14.41722015
  H     15.84516139      8.62386806    -12.73599036
  O     13.59957364     10.81124564    -16.22390551
  H     16.36101085      6.82916127    -11.00471284
  H     15.78783461      9.58479441    -13.96069195
  O     12.68628052      6.34790963     -9.57141164
  H     16.11172049      5.38595527    -10.51313416
  H     13.66577586     11.79697658    -11.69563584
  O     11.92877667      7.64384653    -13.07985838
  H     18.29206031      6.54741112    -11.93641993
  H     12.31085761     12.29959419    -11.13872849
  O     15.81916655      8.52123820    -10.92274160
  H     18.60095373      6.80369161    -13.41642007
  H     14.03116972      3.95287265    -11.24592832
  O     17.40651400      8.31365975    -17.33497038
  H     13.09111710     11.37942408    -16.79649116
  H     14.31465971      4.10321911    -12.75189176
  O     11.28306609      5.22485825    -11.80839427
  H     13.03572913     10.61640188    -15.45255566
  H     11.89908259      9.38999170    -13.76431723
  O     17.47696434      6.78133572    -14.93047935
  H     12.81675500      7.27042012     -9.82451658
  H     12.27385926     10.78327994    -13.21883743
  O     14.72814935      8.32974314    -17.02781198
  H     12.08293938      5.97977444    -10.22951261
  H     16.04114639      5.27068579    -12.74836876
  O     18.86588364      9.77259563    -12.77326358
  H     12.59891332      7.33670857    -13.70914793
  H     16.38978854      5.36289381    -14.23660204
  O     15.78746101      8.65777315    -13.69913485
  H     11.55277234      6.84987828    -12.68126944
  H     14.02984142      5.22455844     -9.48210624
  O     12.73683833     11.54661338    -11.53857068
  H     14.87505734      8.69651088    -10.80405187
  H     14.75031557      4.07969484     -8.73097363
  O     13.62199240      3.87924725    -12.11775265
  H     16.32146347      9.31632645    -10.70736373
  H     19.07183368     10.77263464    -16.04595433
  O     12.11744800     10.29138091    -14.03386911
  H     17.61524413      8.02108757    -18.21788301
  H     18.04724562      9.63706189    -16.25214013
  O     15.74980578      4.97700637    -13.62542853
  H     16.43383224      8.31937477    -17.26418796
  H     12.71277294      8.42635112    -11.61778086
  O     14.72927236      4.55096458     -9.55934114
  H     10.55063327      4.61636322    -11.85327483
  H     12.90544061      9.79925718    -10.93276442
  O     18.30889336     10.35367621    -15.65323537
  H     12.08878768      4.70819750    -11.99169967
  H     17.99276476     10.47554828    -11.46753519
  O     13.08059566      8.85573329    -10.83126161
  H     16.93961379      7.44402646    -14.46705914
  H     18.04084750     11.09078366    -10.04823610
  O     17.44227774     10.80135924    -10.73116535
  H     17.58203080      7.11955914    -15.82442138
  H     16.70534675     11.11401112    -15.08683161
  O     15.86762736     11.31063672    -14.64856345
  H     14.39189076      7.70622977    -16.37062642
  H     15.15129816     11.21932976    -15.29082364
          69
 Energy    -250.87511836433717     
  O      0.28449559      1.14290114      2.92721231
  H      0.95840612      0.85211279      2.29485149
  H     -2.38012941      1.50366245      7.06643498
  O     -2.36513008     -0.22653852     -3.51462714
  H     -0.55189236      0.73012987      2.65571949
  H      0.03343838      2.71906949      1.82647975
  O     -0.35796020     -0.67390645      5.09907200
  H     -2.29402652      0.12381489     -4.39882060
  H     -1.11826460      3.64424557      1.41855463
  O     -4.21983425     -0.53677767     -1.39726206
  H     -1.68678375      0.22041520     -2.98023464
  H     -3.35462709      0.81832063     -0.54464145
  O     -1.36480264     -2.71671103     -2.40650633
  H      0.06040758     -0.09528521      4.45116429
  H     -1.90872559      1.34529360     -0.64581696
  O      0.36720735     -1.53972316     -0.58794817
  H     -0.99078983     -0.12469320      5.57718808
  H     -2.74426098      0.00070793      2.83203302
  O     -3.05539687      3.22337188      1.93388963
  H     -3.76091731     -0.42200413     -2.23812380
  H     -2.38173197      0.47201901      1.37766420
  O     -3.92415767     -2.71879167      3.88952614
  H     -3.86695156     -1.35069237     -1.00606924
  H     -2.47647424     -2.82313906      0.38500078
  O     -0.52548022      0.82922847     -1.74799235
  H     -2.05365956     -2.94456382     -1.76837308
  H     -4.00167446     -3.03598304      0.33582595
  O     -5.47929395      1.85822251      2.68825192
  H     -1.72953505     -1.99890371     -2.93682125
  H      1.53358705     -0.32797143      0.32637016
  O     -3.97005902      0.04603819      4.20967329
  H     -0.05409486     -2.02709413     -1.31104055
  H      1.89131610      1.16527663      0.20499314
  O     -2.33190053      1.12516555      6.19323938
  H     -0.02100690     -1.90542829      0.21937489
  H     -2.07988069      3.03790239      3.54358461
  O     -0.20376105      3.42679664      1.21357672
  H     -2.92828570      2.70070894      1.12715853
  H     -0.74585983      2.38645009      3.95247089
  O     -2.72251330      1.42051173     -0.13105920
  H     -3.91929340      2.94027238      2.25688270
  H      1.91954336      3.41073993     -1.18084420
  O     -2.07052737     -0.02905244      2.14195460
  H     -3.00506073     -2.95569348      4.05656364
  H      0.78456792      3.07699289     -0.18223973
  O     -3.22979887     -2.87186819     -0.22057466
  H     -4.00322096     -1.77721079      4.09885773
  H     -0.81807068     -2.30011554      4.60844819
  O      1.88702529      0.42327944      0.82049873
  H      0.14169770      1.51159017     -1.60414591
  H     -0.67829102     -3.82139918      4.84003408
  O     -1.51835489      2.84582152      4.30616625
  H     -0.20707374      0.02139059     -1.31759707
  H     -1.00089120     -2.91605305      2.41601370
  O      1.33503092      2.71269024     -0.89890920
  H     -6.33894290      2.24597489      2.83109183
  H     -1.47116893     -1.60935220      1.75638939
  O     -1.11320007     -3.17253139      4.29320216
  H     -5.60156913      1.14833011      2.03113491
  H     -6.05080908     -3.61738776      1.75600986
  O     -1.10708207     -2.48840979      1.55998317
  H     -4.55081423      0.71844075      3.83209704
  H     -4.84583846     -2.94016984      2.45172792
  O     -5.36001586     -2.97345014      1.62466960
  H     -3.50742089      0.42946455      4.96618135
  H     -5.69972612     -1.12795521      1.25927326
  O     -5.75004872     -0.21398330      0.95314670
  H     -2.05430529      1.83755152      5.58737919
  H     -5.40479751     -0.23100133      0.05200396
          69
 Ord_Energy   -250.874969    
 O   -4.70047045       6.63004923       4.20017910    
 H   -5.07363796       5.75863314       4.39010525    
 H   -4.15252399       6.50665760       3.41590929    
 O   -1.86954498       5.62060738       10.1054926    
 H   -1.14972818       5.62999153       9.44548607    
 H   -1.58861113       6.17244911       10.8295202    
 O  -0.947955787       7.36930895       6.24537277    
 H  -0.900567234       6.83548737       5.44006205    
 H   -1.86299026       7.66551971       6.30369234    
 O   -5.57498074       1.80655670       6.48397255    
 H   -4.72044849       1.40200663       6.28355932    
 H   -6.10365677       1.12460279       6.92084408    
 O   -3.79045534       7.94940519       6.38562298    
 H   -4.13802958       8.83726311       6.37428045    
 H   -4.12610817       7.50931597       5.58374166    
 O   -2.51521301E-02   5.64420652       8.19295979    
 H  -0.278831720       6.28628492       7.51225424    
 H   0.396114230       4.90386391       7.74536514    
 O   -5.14575768       3.91908312       4.76482439    
 H   -4.28527975       4.05009794       5.19527817    
 H   -5.55766630       3.19674277       5.25398064    
 O   -1.18791854       5.48735189       4.18716288    
 H   -1.72031689       5.67544222       3.40519094    
 H   -1.78156686       5.09197760       4.84550858    
 O   -3.64970970       3.23285246       2.51030850    
 H   -3.06156087       2.55168128       2.85483861    
 H   -4.30757904       3.38695765       3.20339704    
 O   -2.69197059       2.93948555       9.88654995    
 H   -2.35828686       3.81624198       10.1134157    
 H   -3.57213807       3.07405829       9.50427628    
 O   -2.77621841       4.28266048       6.13736343    
 H   -2.28835869       3.56404543       6.55653429    
 H   -3.09502435       4.85542011       6.84676790    
 O    1.03747869       3.27307940       6.94048309    
 H   0.796428978       3.19683981       5.99900866    
 H    1.95447040       3.02279902       7.01146364    
 O   -3.92823195       5.82916498       8.18656826    
 H   -3.24821210       5.90334225       8.86925220    
 H   -3.93218923       6.64437294       7.66763258    
 O   -3.76591444      0.368253618       10.3595705    
 H   -4.66769218      0.672313452       10.5256138    
 H   -3.22691989       1.16891205       10.3384981    
 O   -5.21001387       3.42240787       8.72905350    
 H   -5.32171011       2.93736029       7.89854813    
 H   -4.94332552       4.32608461       8.51481438    
 O   -3.08293462      0.501832724       6.16506720    
 H   -2.46167564       1.05688596       6.66359234    
 H   -3.35244560     -0.209159836       6.75994492    
 O   -6.63928223     -0.181217924       8.06811047    
 H   -6.68538523      0.295208544       8.90654564    
 H   -5.81509876     -0.683474302       8.09653282    
 O   -1.98249638       1.22425544       3.72740030    
 H   -2.40900874      0.914876461       4.54257441    
 H   -1.78343725      0.442489922       3.21598363    
 O   -6.36777735       1.53673327       10.3723621    
 H   -7.00065899       1.88757932       10.9936161    
 H   -6.04208899       2.28914237       9.84976673    
 O   -3.94866252      -1.25686204       8.18663692    
 H   -3.71873426      -2.15038276       8.42811012    
 H   -3.81236029     -0.709231794       8.98067474    
 O   -2.98712659       5.81424522       2.05262423    
 H   -3.21378398       4.86799955       2.11498046    
 H   -2.93804336       6.02633858       1.12493551    
 O   0.152508527       3.06256294       4.40204763    
 H  -0.209636986       3.93694043       4.19797087    
 H  -0.525321662       2.42458272       4.15271282    
 O   -1.46531475       2.21208620       7.52411318    
 H  -0.547457635       2.49770164       7.43673611    
 H   -1.77933633       2.44037271       8.40970039    
          69
 Energy    -250.87357388819947     
  O     16.03304705     11.62472217    -16.31783007
  H     16.60860009     11.05134461    -15.79861682
  H     17.90486101     13.64339585    -16.43231055
  O     19.08322719     17.84825283    -14.25834846
  H     16.62290769     12.15363742    -16.87226700
  H     13.64482365     13.15231157    -12.08500892
  O     20.44337898     11.37174610    -14.96209486
  H     19.13632496     18.36862701    -13.44760537
  H     14.44931821     13.51282570    -13.35959395
  O     16.27502864     15.53526388    -11.69592991
  H     18.23570967     17.37950598    -14.23668745
  H     21.55063218     15.89927652    -14.84673609
  O     15.03925944     16.08193473    -16.46774924
  H     19.58405002     10.95038591    -14.84839579
  H     20.48403526     16.68860923    -14.05269990
  O     16.95405229     12.08304340    -12.63750760
  H     20.51599574     12.03189735    -14.25884119
  H     17.74764235     14.48114778    -11.33199630
  O     14.53336832     13.57659099    -15.06050920
  H     16.41388726     15.91482678    -12.57600975
  H     19.00373981     14.32403000    -10.44649283
  O     20.62177006     13.12494630    -17.09867593
  H     15.57509263     14.87900691    -11.79713442
  H     20.18873629     16.57728347    -16.94019047
  O     21.73103861     15.52274604    -16.65606530
  H     14.31452374     16.58995899    -16.82476977
  H     19.29118027     17.50468113    -16.09448496
  O     17.80887609     17.34128348    -10.16663964
  H     15.74980033     16.10674173    -17.12881030
  H     20.73281034     17.79217567    -11.41972482
  O     20.33576885     13.57878133    -13.21485899
  H     16.06298900     12.42366800    -12.48828020
  H     21.45984096     16.66226945    -12.17156603
  O     17.83720496     13.49244028    -17.38924315
  H     17.53798353     12.54067972    -12.01733972
  H     18.68867417     18.48112603    -11.15651884
  O     14.50154610     13.43987374    -12.38758222
  H     14.98186400     12.85178309    -15.52240494
  H     19.22688565     19.91516888    -11.37772699
  O     21.23965430     16.09136178    -13.95297956
  H     14.66569871     14.36884195    -15.58958419
  H     20.49628882     16.03024735    -10.07654550
  O     18.47871354     13.88116531    -11.12489463
  H     19.69967519     13.17905117    -17.37694090
  H     20.46166709     15.45575363     -8.63978331
  O     19.36839901     17.08554746    -16.96089005
  H     20.65164558     12.44049257    -16.41447848
  H     17.72752695      9.34166657    -14.19790785
  O     21.28170353     17.00915195    -11.28783828
  H     21.36401446     14.63383887    -16.81830480
  H     17.48986459     10.80364175    -13.75900485
  O     19.27391715     19.02445949    -11.71435830
  H     22.53877293     15.58106324    -17.15872174
  H     18.88000898     13.81519904    -14.30471405
  O     19.94308271     15.54999566     -9.43393462
  H     17.15544482     16.77804490    -10.60185145
  H     17.45055366     13.26765654    -14.13916800
  O     17.79511169     10.24646530    -14.49447542
  H     18.45455550     16.74496930     -9.76774077
  H     17.97019498     16.51632253    -17.77165152
  O     17.97838917     13.89798401    -14.64242014
  H     20.73978590     14.43651519    -13.40534380
  H     17.26186608     16.39287090    -19.14192868
  O     17.18575526     16.15216311    -18.22233829
  H     19.78124908     13.68454948    -12.43075665
  H     17.23972926     15.47658793    -14.43761646
  O     16.79211298     16.32592898    -14.28915963
  H     17.59868665     14.33923103    -17.78021975
  H     16.10641181     16.38917320    -14.96292153
          69
 Energy    -250.87272869037557     
  O     17.51694819     11.35573936    -16.68802386
  H     17.40459472     10.50197303    -16.24010437
  H     20.41305723      8.53458417    -15.76957172
  O     15.48522696      5.94887013    -15.26112232
  H     18.38733065     11.67138305    -16.42238152
  H     16.57803999      8.89974316    -14.73280997
  O     18.70448990     12.49593206    -10.57059513
  H     16.21648876      5.78908767    -14.65377697
  H     16.92920606      8.28453828    -16.12833990
  O     19.45235553      7.67566294    -14.38170523
  H     15.88626924      6.18180915    -16.10996147
  H     15.15049580     11.93044019    -14.68063083
  O     14.92182792      8.71546903    -18.99446466
  H     18.77319053     12.32829007    -11.52067142
  H     15.80762741     11.84769566    -16.06550640
  O     16.98298001      9.42935157     -9.43956369
  H     17.76109477     12.45936181    -10.36890249
  H     16.43605306      8.06894279    -12.13979416
  O     15.46957720      8.97716435    -13.27309842
  H     19.63947493      8.13110477    -13.54874087
  H     17.26317138      6.76833659    -12.07479670
  O     18.68116427     11.48044037    -13.20318763
  H     18.70787542      8.14872236    -14.79024596
  H     13.58385094      8.98269006    -16.04929874
  O     13.46191029      7.66821324    -14.67396575
  H     14.47067766      9.07723622    -18.20838450
  H     14.11167108     10.41727414    -16.34184673
  O     16.67147382      7.09355914    -17.52779060
  H     14.25504001      8.59916232    -19.66499100
  H     19.45185457     11.11131750     -9.79935736
  O     17.79670736      5.61545869    -13.54236640
  H     16.92853279      8.68185357    -10.04856513
  H     20.41520083     10.40931793     -8.81050829
  O     20.60482809      9.14262493    -16.49500993
  H     17.92397372      9.60116602     -9.30985981
  H     19.69139872      9.38463463    -11.13246340
  O     17.23168903      8.89501152    -15.44373364
  H     15.45381417      9.93906299    -13.17559829
  H     18.58236943      8.54889293    -11.81626950
  O     14.95012283     11.83486213    -15.61926454
  H     14.64411898      8.66688504    -13.66432676
  H     15.31753112     12.14763778     -9.47587747
  O     17.06178977      7.57358654    -11.58602612
  H     19.19067925     11.60725782    -14.01181634
  H     16.23509323     10.96477114     -9.86638169
  O     13.77972170      9.60658456    -16.75593365
  H     18.93024750     10.61810825    -12.84233957
  H     19.52177630      7.78507451    -19.46976496
  O     19.75039173     10.24305414     -9.47259925
  H     12.66337849      7.19803575    -14.45060840
  H     18.53171497      8.84273634    -18.92376156
  O     19.39582835      9.04724449    -11.98646044
  H     14.13686660      6.99724864    -14.88427629
  H     15.79848101     11.82788199    -11.99695902
  O     15.94048458     11.85323924    -10.13486968
  H     17.54206455      7.25829560    -17.91145011
  H     16.85253474     11.65861775    -13.11949826
  O     19.08243001      8.07725078    -18.67517591
  H     16.03130817      7.56075780    -18.08332517
  H     20.33961872     10.79018255    -15.95708632
  O     15.89974080     11.67584318    -12.94459522
  H     18.44561334      6.25056487    -13.88811025
  H     20.85770000     12.24428936    -15.85710983
  O     20.11982311     11.68271734    -15.63539622
  H     18.24434306      4.77470246    -13.48141805
  H     16.50288117      9.74700743    -19.22567298
  O     17.39280742     10.11940648    -19.18960642
  H     20.13563849      8.79020927    -17.26128616
  H     17.41763778     10.68191885    -18.40261735
          69
 Energy    -250.87168347295864     
  O     14.23858902      9.67155990    -10.68671597
  H     14.08175200     10.25480428    -11.44242854
  H     13.11874853      8.30334428    -10.26819067
  O     13.28126760     10.28630100    -16.53891415
  H     14.89893426     10.07617599    -10.11044538
  H     18.73335418      7.19659733    -13.36526397
  O     16.68312779     11.06988191    -13.61301729
  H     13.16386541     11.15190684    -16.12722198
  H     18.34753552      7.68994619    -14.77496901
  O     14.47473567      4.64862272    -12.81626869
  H     12.98888054      9.64143126    -15.88324186
  H     14.31387190     12.86077205    -15.38187521
  O     16.57665635      7.90666399     -8.12759770
  H     17.19673967     10.99287795    -12.79594397
  H     12.98980191     13.64727876    -15.21654390
  O     16.00010175     12.67457157    -15.80201504
  H     15.75110481     10.95981178    -13.38709471
  H     12.48545476      7.87854145    -13.75030210
  O     15.79076834      7.69914985    -11.93168811
  H     14.90902708      4.68721929    -11.95382328
  H     13.75356377      8.17558829    -14.55371275
  O     13.88979402     10.87533849    -13.11768597
  H     15.19108610      4.66970299    -13.46167822
  H     15.79958205     10.33184322    -18.48819430
  O     18.52923100      7.83912904    -11.60758888
  H     15.76882145      7.37895155     -8.09582606
  H     14.91156521     10.27606823    -17.22447529
  O     18.04363225     10.60350587    -11.29075936
  H     17.26210363      7.32353703     -8.47348895
  H     11.50258387      5.72339400    -12.81123845
  O     16.64112292      5.03279484    -14.66781925
  H     16.05574998     12.00970067    -16.49896658
  H     13.04349989      5.70891944    -12.77173246
  O     12.68425006      7.45531681    -10.09625514
  H     16.38924780     12.26028611    -15.01811447
  H     13.73793483      5.85972396     -7.58525964
  O     18.58110476      6.89901915    -14.27173571
  H     15.24730072      8.38720829    -11.52803994
  H     13.62855832      6.67313775     -8.89827710
  O     13.37835374     12.78265367    -15.11991936
  H     15.57065033      7.64173671    -12.86888061
  H     15.77578048      6.17854342    -10.98637538
  O     12.89467059      8.55425664    -14.30100970
  H     13.49622340     10.07929991    -13.50497211
  H     15.24840021      5.52007850     -9.68358742
  O     15.82870816     10.37460186    -17.53606646
  H     13.63170446     11.61387879    -13.68189416
  H     17.48667659      5.63673939     -9.81895409
  O     12.26410236      6.28376574    -12.67964766
  H     18.67193077      7.24646240    -10.86142874
  H     18.82190531      5.26608738     -9.13232924
  O     14.25476326      6.23577627     -8.29199505
  H     17.56782481      7.85965152    -11.74345056
  H     16.02952571      8.09133682    -15.03084326
  O     15.81636541      5.36852862    -10.45050329
  H     17.52074678     10.61481546    -10.48055625
  H     15.65955068      6.59738350    -14.82409648
  O     18.30367425      6.00472517     -9.44127716
  H     18.39771441      9.70759660    -11.36665971
  H     16.45169162      9.55906742     -8.64739180
  O     15.33028316      7.49808947    -14.72251344
  H     17.39361719      5.62623273    -14.48996699
  H     16.39322348     11.05555744     -8.25727588
  O     16.32868163     10.45933590     -8.99862024
  H     16.93517199      4.41526364    -15.33231572
  H     16.97227818      9.54210298    -16.30231873
  O     17.36713693      9.18016129    -15.49890901
  H     12.49574520      7.06519678    -10.95755395
  H     17.23474593      9.84676845    -14.80703137
          69
 Energy    -250.86738013313754     
  O     11.03277130      8.58992039    -13.81757946
  H     11.59987737      7.97194045    -13.32042299
  H     17.24044769     11.88881260    -15.62481852
  O     17.29953445      8.50738382    -14.09223889
  H     10.14123016      8.25698457    -13.75601138
  H     14.15028148      9.30136767    -14.72498230
  O     16.40608493     11.91561114    -11.47607687
  H     17.83194618      9.20253751    -13.68158824
  H     14.63885361      9.83485643    -13.31679926
  O     13.56309453     12.35524627    -14.38592034
  H     16.40201594      8.86806712    -14.15064418
  H     13.23127342      7.13886072    -11.73321995
  O     14.76102384      6.68385685    -16.18402285
  H     16.18045292     12.67269428    -12.02795918
  H     13.27754640      6.29898567    -13.02149836
  O     16.35195604      8.33861671     -8.46231806
  H     15.63205856     11.33115681    -11.47198554
  H     20.68754581      9.27521084    -10.40762715
  O     16.51668484      6.50912652    -12.33479911
  H     14.21922172     12.99460803    -14.08161168
  H     19.31772282      8.57458726    -10.57200299
  O     14.30563294     10.17667531    -11.61395937
  H     14.01234046     11.50031719    -14.35412501
  H     14.41719435      4.32163628    -14.14015207
  O     18.29587664      7.19129109    -10.24785185
  H     14.05932508      7.34962092    -16.21791633
  H     14.65671948      5.71842622    -14.76295927
  O     16.16565315     10.67174787    -16.60748716
  H     15.55924597      7.09843378    -16.52817840
  H     16.47521847     13.40874645    -14.04881395
  O     17.23517155      8.03010225    -16.80247422
  H     16.28994000      8.32095098     -7.51113819
  H     15.99771601     14.77754593    -13.50558071
  O     17.62306840     12.42862366    -14.92146191
  H     16.73852137      9.19993227     -8.70248267
  H     17.76601781     11.08521968    -12.37206923
  O     14.85637165      9.76990146    -14.25780138
  H     16.86838815      7.16428717    -12.95435766
  H     19.07173789     10.27820607    -12.17748557
  O     12.72920270      6.92088865    -12.52799908
  H     15.92020893      5.94602685    -12.84388982
  H     17.17331024     11.19876251     -9.92202428
  O     19.79055943      9.41689200    -10.69783887
  H     13.38545668     10.44860790    -11.75020589
  H     18.41912695     10.32720725     -9.67104515
  O     14.57702447      5.23556960    -13.92031884
  H     14.33556940      9.31587853    -11.17852012
  H     13.26832215     11.81907905    -16.23801611
  O     15.80815751     13.84319151    -13.48636827
  H     17.67037171      7.44576544     -9.55810278
  H     14.30860998     11.14944119    -17.14726308
  O     18.48924617     10.65217603    -12.85046319
  H     17.76545403      6.80630184    -10.95725887
  H     15.11713315      7.83881567     -9.75346357
  O     17.58981134     10.61746629     -9.27232844
  H     16.56794119      9.84814888    -16.90799675
  H     15.30610090      7.25066468    -11.17164428
  O     13.35889051     11.21433087    -16.98595678
  H     15.71976980     10.44477202    -15.77836894
  H     12.23937992     11.60243933    -13.17501628
  O     14.65140316      7.64560951    -10.57696298
  H     18.02319744      7.65457519    -17.18740075
  H     11.49156429     10.25436599    -12.99618907
  O     11.87778728     10.99666808    -12.51481311
  H     17.40556187      8.12685471    -15.84990031
  H     12.12918658      8.70431741    -15.30934374
  O     12.89361091      8.72306729    -15.89861526
  H     18.08953922     11.82559278    -14.32910211
  H     12.90065431      9.56371616    -16.38085898
          69
 Energy    -250.86690955795495     
  O      0.87819043      0.14361031      2.91078312
  H      1.18624321      1.03892396      3.09362697
  H     -2.94092113      1.07991014      6.33267891
  O     -2.98835171     -0.54233171     -3.34449609
  H      1.29243754     -0.15133501      2.08568017
  H     -0.33562025      3.51963916      0.92484961
  O     -0.48688223     -1.08572199      5.03122371
  H     -2.16368000     -0.20006018     -2.96089124
  H      1.00096666      3.21891331      1.62412466
  O     -4.42474516     -0.54089058     -0.88383277
  H     -3.03206728     -0.21321124     -4.23877109
  H     -1.88692125      1.10969334     -0.80716644
  O     -2.21506665     -3.17946712     -2.38834281
  H      0.09840382     -0.70486781      4.36153967
  H     -3.32818310      0.79827041     -0.34440729
  O     -0.14881006     -2.21670654     -0.81746076
  H     -1.10967053     -0.39078646      5.27206719
  H     -1.92406387      0.45367889      1.24358669
  O     -4.15863655     -2.90879466      4.02796094
  H     -4.18116349     -1.42134749     -0.55918502
  H     -0.83486366      0.11282238      2.32479207
  O      1.43688551      2.85576385      3.41452971
  H     -4.13578138     -0.51134238     -1.80386680
  H     -4.48948335     -3.32535109      0.57921225
  O     -0.73985532      0.26286412     -1.93507616
  H     -2.82300506     -3.30924432     -1.64715748
  H     -2.96406452     -3.05662596      0.57560578
  O     -4.00466344     -0.12561937      3.53967898
  H     -2.54649894     -2.40856146     -2.86240948
  H      1.82268612      0.20871907     -0.15292816
  O     -2.19664565      3.57279153      1.40395854
  H     -0.49434697     -2.47704416      0.04792633
  H      1.29283126     -1.23270014     -0.03419560
  O     -2.48664844      0.96758208      5.50125510
  H     -0.71677543     -2.66114003     -1.46366685
  H     -1.65245911      3.16986887      3.20757802
  O      0.59368247      3.32773982      0.75531559
  H     -4.11081749     -1.94448448      3.97761079
  H     -1.65116165      2.35392091      4.53297657
  O     -2.57288625      1.38064840     -0.18195884
  H     -3.25442480     -3.21251212      4.16815190
  H      1.18124871      2.36430621     -0.55209857
  O     -1.73052790     -0.08497813      2.01912193
  H      1.99885340      3.29769923      4.04440536
  H      2.20334691      2.22214166     -1.70606422
  O     -3.74741560     -3.09289181      0.00773284
  H      0.51815620      2.96364395      3.72540798
  H     -0.92508204     -4.20429101      4.76427009
  O      1.80963335     -0.56063812      0.42816596
  H      0.04577714      0.81686248     -1.84505580
  H     -1.04365328     -2.67135504      4.59501112
  O     -1.17233757      3.02504482      4.03208809
  H     -0.53209434     -0.58964380     -1.52279924
  H     -1.37432527     -3.18139010      2.43144190
  O      1.49446712      1.76953899     -1.25729053
  H     -4.74423060     -0.15173795      2.91680797
  H     -1.58295954     -1.82138025      1.72877864
  O     -1.38348190     -3.52674769      4.27505130
  H     -3.19377338     -0.12364542      3.00710657
  H     -6.46191273     -4.03829010      2.14388014
  O     -1.46846624     -2.77045749      1.56515145
  H     -2.42184959      2.82865963      0.82114207
  H     -5.21554909     -3.31467023      2.70910551
  O     -5.77863428     -3.41289455      1.91959466
  H     -2.81414176      4.27230083      1.20392066
  H     -5.55293682     -0.41633730      0.68259954
  O     -5.89483364     -0.54830733      1.57528039
  H     -3.13797365      0.60973487      4.87317367
  H     -6.01641074     -1.50210107      1.66622522
          69
 Energy    -250.86463340669275     
  O     11.06280014     10.52077228    -11.29872695
  H     11.90704401     10.87427941    -11.60380320
  H     17.98524262      5.59075241    -16.93251652
  O     13.44967515      7.45882154    -15.11403020
  H     10.55459559     10.31585882    -12.09452842
  H     16.54180868     11.45725602    -13.97627505
  O     17.74978677      9.10471132    -16.74364396
  H     14.20085738      7.81688762    -14.61369722
  H     16.28862833     12.97689229    -13.86736214
  O     12.29792180      9.92460281    -14.73376452
  H     13.78758204      7.24286008    -15.99425840
  H     15.29960808      8.63324955    -12.72435975
  O     15.67793844      5.77072586    -10.22934425
  H     17.00721444      9.38267116    -17.29499935
  H     16.20477479      9.00209160    -13.92754992
  O     12.82627747      5.89157414    -12.94209925
  H     17.72964374      8.14008366    -16.74328570
  H     10.20434539      8.37004723     -9.11833709
  O     14.91613589      9.23987266    -11.03295820
  H     12.62246820      9.03227618    -14.92602237
  H     10.87779257      9.09512396    -10.30993998
  O     15.39051400      9.78287510    -18.16031306
  H     11.37343350      9.83561466    -14.47479590
  H     18.30726852      8.06820433    -11.78696475
  O     15.20914221      4.33833281    -12.47732110
  H     16.33527994      6.47335690    -10.17145623
  H     18.32573032      7.23547665    -13.07582716
  O     17.63605146     10.09140569    -14.21763559
  H     14.81742428      6.20067713    -10.12359406
  H     10.34053160      7.32052010    -11.53719746
  O     14.76457192      7.08175004    -17.48188839
  H     13.54719044      5.25584332    -12.86636378
  H     11.03747418      6.53631090    -12.67196136
  O     17.38917498      6.26582937    -16.61788836
  H     12.98179263      6.38780744    -13.76023798
  H     16.44132976      6.86016174    -13.79042579
  O     15.84571519     12.13245841    -13.90014032
  H     14.27737568      8.55482629    -10.78582055
  H     16.44196654      5.34950977    -13.48872150
  O     15.52072912      8.38814732    -13.63047817
  H     14.42850237      9.96210216    -11.45112921
  H     16.48734849      8.65626212    -10.44021537
  O     10.76246738      8.22931297     -9.87787376
  H     14.97800837     10.33608970    -17.47332146
  H     17.61107999      8.57131716     -9.38239103
  O     18.68491348      8.03592289    -12.67532296
  H     15.26529120     10.23756080    -18.98886824
  H     14.82293532     11.63585552    -15.46973656
  O     10.25963370      7.06931483    -12.46583507
  H     15.42727882      4.78847796    -11.64062151
  H     13.51270170     10.87452766    -15.76210091
  O     16.95579866      6.04693408    -13.91157079
  H     15.24602028      3.40146074    -12.30252671
  H     12.39873910      7.45641447    -10.13849677
  O     17.28738545      8.16645400    -10.18375035
  H     18.13903969      9.48316483    -13.65723798
  H     13.06475700      6.73063334    -11.34388779
  O     14.29044628     11.26594737    -16.18222403
  H     17.76487976      9.81884512    -15.14047056
  H     14.32338991     11.58338097    -12.91876459
  O     13.24126245      7.13434006    -10.48114187
  H     14.92821484      7.97939892    -17.79975055
  H     13.13882162     10.66725851    -13.29370019
  O     13.56779462     11.11188826    -12.54676506
  H     15.63215913      6.71709080    -17.26874931
  H      9.90370129      8.57420430    -13.28872407
  O      9.76808110      9.47617080    -13.63090831
  H     17.27319221      6.11394639    -15.66545702
  H      8.87789709      9.51268995    -13.96974966
          69
 Energy    -250.86406594461886     
  O     -1.24965851      2.60269190     -1.33998773
  H     -0.43689530      2.08605416     -1.43059669
  H      0.43410474      4.43944871      4.74163637
  O     -0.55362040      5.06489428     -0.03058211
  H     -0.98748976      3.46779453     -1.00598713
  H     -1.80679335     -0.66610959      4.23194213
  O      3.91581991      2.29757181      2.22542736
  H      0.30982341      5.20106972      0.40109575
  H     -0.70563445     -0.66170185      3.16198850
  O      1.25829345      1.81915469      1.40889138
  H     -0.87409837      5.92835314     -0.27721787
  H      1.09790910      0.39782263      2.44851442
  O     -3.24247581      1.08828056     -0.32157763
  H      4.12358383      3.03086600      1.63185453
  H      1.08091084      0.17158407      3.97271305
  O     -2.96799509      1.58445828      2.41836570
  H      4.23857370      1.49331214      1.79691349
  H      3.92179392     -0.56335140      0.85253682
  O      1.07434236      1.04935855     -1.21264055
  H      2.11987359      2.12756344      1.71494130
  H      5.45826617     -0.46474013      0.71790064
  O     -1.79299367     -1.24713804      0.48360440
  H      0.57631190      2.44225386      1.69164448
  H      3.48407413      2.55774194      3.98523570
  O      1.78279640      5.35330382      1.30546615
  H     -3.97080923      1.08937550     -0.93670258
  H      2.49478784      2.20259643      5.13074669
  O      4.13905508      4.21903660      0.19185641
  H     -2.54522583      1.64679180     -0.71038997
  H     -3.00008146      2.25931175      4.24686368
  O      0.52810246     -1.70009542     -0.82920093
  H     -3.22657811      1.44339101      1.49871997
  H     -2.00348905      3.02831607      5.14714199
  O     -0.29755319      3.81357908      4.75307344
  H     -2.53262489      0.76956022      2.70986842
  H      0.04619777      0.78789188      5.77929032
  O     -1.66457104     -0.74012476      3.28113709
  H      1.13833267      1.30930654     -0.27855990
  H      0.42120830      2.16302378      5.19872073
  O      1.05411922     -0.29415103      3.12680602
  H      0.91489250      0.09809724     -1.21648612
  H     -2.13897186     -0.27767542      6.83201442
  O      4.65967583      0.05579874      0.70698349
  H     -2.31685636     -0.49987761      0.16983906
  H     -2.15945766      0.87897311      5.80430721
  O      3.13425315      2.86079806      4.83561238
  H     -1.84511337     -1.23154050      1.44702088
  H      2.82295815      1.67576900     -1.41121501
  O     -2.74163834      2.40480140      5.16600514
  H      2.60106537      5.01430470      0.92237803
  H      4.11462340      1.25532309     -0.68858068
  O      0.78366815      1.29058500      5.41368170
  H      1.88983883      5.34582085      2.26411758
  H     -1.66860358      2.78440473      2.15273424
  O     -1.73087543      0.03303567      6.02842375
  H      3.97182483      3.46369422     -0.40106745
  H     -0.97594647      3.99169065      1.41308800
  O      3.73149520      1.95404072     -1.23394572
  H      4.85589001      4.71610292     -0.19288589
  H      1.89952355     -1.69793023      0.46965111
  O     -0.90593695      3.37896361      2.15423958
  H      0.39449345     -2.42233608     -1.43725031
  H      2.08134842     -1.30434850      1.95149115
  O      2.56348950     -1.57962525      1.15988828
  H     -0.31281811     -1.57715883     -0.35318971
  H      2.51127255      5.96692982      4.68068174
  O      2.09057053      5.27321018      4.17901241
  H     -0.53411262      3.69401758      3.81866835
  H      2.52164615      4.43998934      4.44244554
          69
 Energy    -250.86377003618713     
  O     11.85396716     10.34127864    -10.50128481
  H     11.59120663     10.95172395    -11.20190579
  H     11.20196464      9.94875752    -15.68025483
  O     15.05495843     10.76686604    -12.47829423
  H     12.55889067     10.76271611     -9.99534248
  H     15.50850957     13.97153072    -14.78180590
  O     17.17254092     13.90032625    -14.13165946
  H     15.91575269     10.90515676    -12.06218243
  H     14.76677960     12.92255851    -15.63646793
  O     16.42290944      7.45129397    -13.67032396
  H     14.57047042     11.59993827    -12.44805414
  H     16.86591209     11.48953865    -16.12064047
  O     11.29343683     11.67395978    -12.94312110
  H     17.50772296     13.09749856    -14.54749938
  H     18.36348028     11.67447143    -16.43651062
  O     12.17231026     13.91863610    -16.44068570
  H     17.37184888     13.83454805    -13.19015891
  H     14.75630191     12.89027559     -9.78986880
  O     15.12333701     11.37181468    -16.61174582
  H     16.68595104      6.53466600    -13.67099023
  H     14.51609002     13.60733278    -11.12755412
  O     15.96903973      9.55205739     -9.39183699
  H     15.88592515      7.58856841    -12.87098801
  H     17.72282048      8.91300545    -13.68705174
  O     13.60800113     13.14376037    -12.62509136
  H     11.55415990     10.84630840    -13.37162925
  H     18.09362088     10.26523818    -14.34796608
  O     14.71880389      9.38462671    -14.78621048
  H     10.75417673     12.15351346    -13.58434735
  H     18.13143569     14.36164777    -10.84797308
  O     14.00334144     11.37734495     -8.91246062
  H     12.36894355     13.26195949    -17.11958302
  H     16.72589244     13.71755611    -10.92583980
  O     10.90920177     10.51855934    -16.40329824
  H     13.00247229     14.05592361    -15.96445139
  H     11.93419986      8.65975241    -13.36901899
  O     14.63462048     13.73177188    -15.12520024
  H     14.38354493     11.43955968    -17.22778163
  H     12.93606457      9.21266292    -14.41790107
  O     17.74865765     11.53141128    -15.71973352
  H     14.94050850     10.61234535    -16.03712351
  H     12.49327439     11.45685736    -18.98305429
  O     15.09906322     13.59276549    -10.35446111
  H     16.64761160     10.00172837     -9.91717716
  H     12.09207007     11.15075622    -17.52042070
  O     18.26971808      9.70026249    -13.58506972
  H     15.61417236      8.86093093     -9.96342034
  H     11.32897714      7.31613201    -11.24696049
  O     17.62164114     13.70218054    -11.31080972
  H     12.74651943     12.71935432    -12.72941366
  H     11.89822060      8.75418766    -11.15490649
  O     12.00737860      9.22524129    -14.14709299
  H     13.91486977     13.41135052    -13.50217980
  H     17.74583262     11.85329012    -11.24956507
  O     12.74764114     11.60905456    -18.07687152
  H     14.86289957      9.96041631    -14.01584811
  H     17.95751712     10.50083636    -12.02340886
  O     11.97538228      7.90379035    -11.62795532
  H     15.27661029      8.61229423    -14.64043033
  H      9.27169912     13.49008470    -15.21980167
  O     17.55937690     10.90655882    -11.23799782
  H     14.70883988     10.71892015     -9.03855525
  H     10.77796763     13.36552071    -15.55334708
  O     10.03242334     12.92767691    -15.10376730
  H     13.84960358     11.43344034     -7.97218707
  H     14.79268132      9.09509515    -11.80286549
  O     14.77339295      8.15216264    -11.57232716
  H     10.46353625     11.26763954    -15.98837960
  H     13.84127748      7.90509304    -11.54802857
          69
 Energy    -250.86319240290567     
  O     15.24565215     11.32960594    -10.52554498
  H     15.99046618     11.64950879    -11.04946381
  H     18.15309540      7.32047804    -10.36188369
  O     15.13063959      7.76621974    -15.16396830
  H     15.58808088     10.66492319     -9.91766285
  H     15.83575595      8.15139339    -13.49237018
  O     14.83775398      5.21385505    -11.52500949
  H     15.21020931      6.82301305    -14.96892004
  H     16.64964235      7.47582424    -12.33619450
  O     16.22265325     11.55190040    -14.54961383
  H     14.21624790      8.02806514    -14.98543851
  H     12.30750852     12.14821395    -11.19394144
  O     10.80200658      6.22917167    -12.24998568
  H     14.63614213      6.06204255    -11.10361593
  H     13.64193805     11.36658042    -11.16996987
  O     12.56224266      8.46123276    -14.49766946
  H     14.01280086      4.71330619    -11.54452452
  H     13.77902431      4.49886444    -14.68937619
  O     14.45581508      7.79390787    -10.52962614
  H     15.26092022     11.43621568    -14.51859490
  H     12.66374091      4.04187211    -13.73112521
  O     18.92688041      8.07357937    -14.54493045
  H     16.56421756     10.88189795    -15.14963159
  H     13.10821624     10.29272312    -14.54739285
  O     10.98887135      6.22963152    -15.11977261
  H     10.69565731      6.27080270    -13.20834250
  H     13.22126481     11.31505808    -13.40777244
  O     18.32440454      5.45759123    -14.19428959
  H     11.13335301      7.09577425    -11.97922620
  H     17.90775200      5.67225089    -12.37981517
  O     17.05091447      9.36251683    -16.24366963
  H     12.43183326      8.50985405    -13.53980427
  H     16.68524272      5.52023635    -11.42227890
  O     18.32447494      8.17255119     -9.93995334
  H     11.96885292      7.77317121    -14.82241321
  H     16.46452927      5.15045475    -14.33213457
  O     16.15518848      8.26843238    -12.59020618
  H     14.87601788      8.19328383     -9.75955846
  H     15.27680319      5.20360635    -13.32992965
  O     12.74809636     11.38506221    -11.55787441
  H     14.98454755      8.09136219    -11.28904581
  H     11.74810652      4.80977622    -11.90639157
  O     12.83679857      4.29234955    -14.64760149
  H     18.97572276      8.65880819    -13.77797662
  H     11.83163927      3.36525461    -11.35544188
  O     13.49942328     11.14334447    -14.31591083
  H     18.39389933      8.54410679    -15.19830738
  H     18.30090830     10.67038103    -12.22714021
  O     17.52210202      5.98700775    -11.55229820
  H     10.38182644      5.96767040    -15.80632372
  H     17.61352247      9.31044630    -12.40592419
  O     15.50132619      5.17126656    -14.27163962
  H     11.65009423      5.51881605    -15.04006536
  H     12.18850105      9.61573130    -11.64381804
  O     12.32307727      4.02597552    -11.83570873
  H     18.56967023      6.38769276    -14.35229563
  H     12.88830023      8.30532020    -11.23526806
  O     18.48264141      9.72494645    -12.28056402
  H     19.03259815      4.92418558    -14.54492484
  H     16.93265378      8.84508079     -9.13431590
  O     12.13581559      8.65567237    -11.73385942
  H     16.32529049      8.78539285    -15.94760686
  H     16.25733689      9.32490481     -7.82904676
  O     16.11100205      9.21497022     -8.76452922
  H     16.96655187      9.44687218    -17.19018400
  H     17.63571676     13.18108820    -12.28742588
  O     17.33496594     12.27914400    -12.22404524
  H     18.57396197      8.76924973    -10.65894094
  H     16.93345711     12.05537171    -13.08561102
          69
 Energy    -250.86246583288658     
  O     18.09199731     11.82018774    -17.96663583
  H     17.43292954     12.23568564    -17.38307620
  H     16.45881357      4.56996891    -16.47072271
  O     15.88263598      5.65753628    -13.25211344
  H     18.11159765     12.34009188    -18.76614292
  H     17.01120882      5.69853047    -11.94276170
  O     17.16677747     12.12370767    -12.39053630
  H     16.10425237      5.53850799    -14.18344056
  H     17.55315203      5.06817833    -10.63730172
  O     21.32273787      8.81935460    -12.42514311
  H     15.29357015      6.42069420    -13.19573322
  H     21.05946778     10.35214823    -15.21331892
  O     16.11280991      7.56362870    -17.35290851
  H     17.65764169     12.77179504    -12.90995618
  H     21.46532033      8.98189532    -15.75668427
  O     13.22799043     10.57632548    -12.24221725
  H     17.76110093     11.36676020    -12.28093916
  H     18.44511475      8.27931993    -15.04325617
  O     14.63782441      8.16384451    -12.81991156
  H     22.15823972      8.90730599    -11.97447098
  H     17.17628534      9.18540569    -15.02051792
  O     18.64810773     13.60327145    -14.27113910
  H     21.47743894      9.07486103    -13.35240877
  H     17.44513041      8.95855097    -11.33026276
  O     19.90782816      6.34690429    -12.84307533
  H     15.71751889      8.19773781    -16.74068272
  H     16.99335892      7.56671339    -10.84746171
  O     15.39335545      9.26668708    -15.25410579
  H     16.85936725      8.01809558    -17.76962008
  H     15.95104890     11.50560238    -11.04320350
  O     19.12365489      6.59955672    -15.42349509
  H     12.38555211     10.79750098    -11.85490630
  H     15.76640506     10.08516574    -10.47444262
  O     16.67465087      5.34896886    -15.96564427
  H     13.90569839     10.74640721    -11.56221368
  H     19.64702487      9.58617672    -12.13520939
  O     17.62241277      5.83810244    -11.19556499
  H     13.99564319      8.86148546    -12.64256466
  H     18.46759013      9.54895005    -13.13060500
  O     21.61753496      9.58753167    -15.02050406
  H     15.34961581      8.28464180    -12.17391700
  H     15.73152086     11.88873922    -13.53780137
  O     18.11371716      9.14961831    -14.79114396
  H     19.31944062     14.27966188    -14.23570584
  H     14.24343854     11.48473132    -13.59945223
  O     16.70114352      8.48236933    -10.93296600
  H     19.05246715     12.82559065    -14.69356708
  H     21.25572809      7.29882438    -17.70446347
  O     15.32830400     10.94196557    -10.56534443
  H     19.20084527      6.21638345    -12.19963399
  H     20.20722422      7.34539472    -16.56917463
  O     18.72231698      9.83681534    -12.23884075
  H     20.39543517      7.13756432    -12.58363128
  H     15.82382175     12.69784424    -15.57013965
  O     14.98128722     11.78736979    -14.14206241
  H     15.11343816      8.76972619    -14.47247326
  H     17.16420307     13.44313215    -15.53044924
  O     20.76262143      7.89726464    -17.14841899
  H     15.22897100     10.19406804    -15.04234730
  H     19.04262142     10.59396464    -15.32269954
  O     16.50620393     13.08046743    -16.13610374
  H     19.42171301      6.41309598    -14.51934796
  H     19.21392244     11.56765401    -16.50681701
  O     19.53446267     11.37722971    -15.61581223
  H     18.33463215      6.07553918    -15.60434254
  H     19.17649115      8.72270843    -17.98129929
  O     18.30904746      8.96390783    -18.32461588
  H     16.42349271      6.11766502    -16.51161468
  H     18.22713696      9.91962150    -18.22544869
          69
 Energy    -250.86188166233262     
  O     12.24068974      9.39908123    -16.69187487
  H     11.65606786      8.94371998    -16.07435985
  H     16.73444157      6.49654583    -14.02073689
  O     15.67438407      7.25459198    -12.78164522
  H     12.24981123     10.32984089    -16.43806295
  H     18.61569636      9.14637499    -12.87571788
  O     14.70598700     11.07268341    -11.08319869
  H     15.98095853      7.73665340    -12.00405350
  H     18.14494113     10.39001712    -12.07398985
  O     16.85599530     11.75105948    -14.61534081
  H     14.78124261      6.95172011    -12.57506439
  H     15.51822759     11.71580977    -17.39325735
  O     14.99339847      5.76425453    -16.26938001
  H     14.02263220     10.72411766    -10.49236921
  H     15.74215453     12.31003252    -15.99254103
  O     12.70516741      9.63848138     -9.84265113
  H     14.28280089     11.12475162    -11.95262166
  H     15.57699346      8.62383180    -13.97970028
  O     13.13158464      6.58729568    -11.93619282
  H     16.99458278     12.02860645    -13.70385620
  H     15.23807045      9.04498985    -15.44376164
  O     13.40254128     10.87526610    -13.51335179
  H     16.40810110     10.89015177    -14.57562641
  H      9.86369561      7.44861623    -15.07768422
  O     18.46332880     10.36326231    -16.41428036
  H     15.10335611      4.95981697    -16.76992802
  H     11.35848694      7.12430253    -14.84350872
  O     14.23340082      7.21724518     -9.38805617
  H     15.83344922      5.91840121    -15.80038918
  H     13.43240388      5.85451588    -15.14265576
  O     19.11646357      8.44016287    -14.60963342
  H     12.18410399      9.41784479    -10.62584855
  H     12.83569435      5.94343550    -13.70819091
  O     17.21717240      6.31268498    -14.84078098
  H     13.09350525      8.80764899     -9.54440569
  H     17.46902128     12.79696673    -11.26500717
  O     18.39472273      9.46225197    -11.99156722
  H     13.42125556      6.61976798    -11.01641496
  H     16.29516676     11.82290565    -11.49927649
  O     15.13836399     12.32339274    -16.74803026
  H     12.62523904      7.39950473    -12.09065675
  H     15.70391352      9.54466897    -10.68442305
  O     15.43588926      9.38142389    -14.56086148
  H     13.04225274     11.41362412    -14.22710691
  H     17.11096093      8.92818598    -10.88330573
  O     10.70236989      7.84535366    -14.85705385
  H     14.08321372     10.31199139    -13.91315467
  H     15.77582588      9.54941396    -17.96118304
  O     12.60962776      5.93705740    -14.64737562
  H     18.05267023     10.99459648    -15.80638615
  H     16.33242728     10.13082935    -19.28119474
  O     17.15822951     12.10531450    -11.84415595
  H     17.85103369     10.28756381    -17.15517490
  H     11.20974200      8.61055214    -13.20837979
  O     16.23650058      8.75861176    -10.49991285
  H     14.47907614      6.76973848     -8.58228276
  H     12.27943806      9.64426631    -12.80972503
  O     16.33748204     10.25043422    -18.33504025
  H     15.02105064      7.70141071     -9.68890823
  H     13.49052404     12.23776564    -16.23890755
  O     11.72023339      8.93660486    -12.45689127
  H     20.05279156      8.27054866    -14.68601775
  H     12.09622837     12.90065988    -16.12641072
  O     12.58953891     12.12186026    -15.88475933
  H     18.90048801      9.09735621    -15.29363758
  H     14.77699886      7.48031918    -16.92357801
  O     14.73668201      8.42733001    -17.10079096
  H     17.90946569      6.98262451    -14.87318392
  H     13.81441180      8.72105289    -17.02042725
          69
 Energy    -250.85915601170137     
  O     10.00677412     11.28579070    -11.70298668
  H      9.16574381     11.30108427    -11.25411055
  H     12.17634341     13.57888576    -10.74535855
  O     14.71469811     10.82009248    -12.66596248
  H     10.61241150     11.84646621    -11.18488846
  H     12.04094894     10.63939198    -17.46289647
  O     16.86676378     12.80761304    -14.90654755
  H     14.42557068     10.36901170    -11.86284544
  H     13.33627356      9.81265664    -17.46869565
  O     16.11555354      7.96800137    -11.12919220
  H     15.58075972     11.21393696    -12.50168341
  H     13.37798705     12.81337428    -16.67543061
  O     10.93340474     11.82218366    -14.29011680
  H     16.06231969     13.01423980    -15.39270387
  H     14.58559931     11.87193047    -16.51057591
  O     11.48838751     12.44247764    -16.94087932
  H     17.28212255     12.08287606    -15.39276644
  H     18.00373000      9.88581410    -15.56742118
  O     15.13623287     10.16251208    -16.81715044
  H     16.10519130      7.46994421    -11.95529312
  H     18.66649669     10.48333203    -16.83115622
  O     13.93516773     11.62296286     -8.95333643
  H     16.87353481      8.56224752    -11.19344405
  H     13.30973506     14.19667450    -12.50024309
  O     13.38690887     12.93852742    -13.71774737
  H     10.45528786     11.67559406    -13.46470139
  H     13.16656470     15.67044033    -12.04759983
  O     14.36644070      8.83911450    -14.50172090
  H     11.77219538     12.23979380    -14.04108983
  H     18.29655655      9.11634572    -13.34947000
  O     18.29910741      9.78618994    -11.58928642
  H     10.79286275     12.92382465    -17.38256064
  H     17.53283427      8.04366197    -14.14624586
  O     11.75666370     12.81699049    -10.32797582
  H     11.16464638     12.24589896    -16.04637064
  H     14.81658175     14.04283284    -10.86124260
  O     12.37378151      9.73378829    -17.47918167
  H     16.09744639     10.24549954    -16.80343301
  H     15.04873369     12.86059575     -9.90730294
  O     14.27196515     12.76808279    -16.31533123
  H     14.90295281      9.65662010    -16.02459941
  H     11.79646852      9.15584943    -15.82637262
  O     17.87961095     10.52254430    -16.29427314
  H     14.02838715     11.42336782     -8.02539467
  H     11.37576589     10.02635425    -14.63311345
  O     13.26814138     14.78010780    -11.72214835
  H     13.91829152     10.77032962     -9.42257798
  H     15.41985879      7.50818598    -14.07991030
  O     18.14403312      8.78406502    -14.24257090
  H     13.73318391     12.97544755    -14.61906128
  H     15.84462198      6.02044401    -14.12197435
  O     15.50616353     13.48050691    -10.48903830
  H     13.82163601     12.18781648    -13.28454135
  H     11.02351441      9.66358679    -11.82280767
  O     11.64988421      9.12997696    -14.86891544
  H     14.56239840      9.53811126    -13.85964723
  H     11.59852290      8.76242159    -12.92453632
  O     16.09294540      6.87362386    -13.77647569
  H     13.40797922      8.83905059    -14.62344729
  H     16.64672197     12.72054732    -11.62943197
  O     11.62118291      8.92050054    -11.97421836
  H     17.93835185     10.66883644    -11.78391651
  H     17.08044611     12.50171399    -13.13937498
  O     17.12223675     12.13887731    -12.24207371
  H     19.06689464      9.91903995    -11.03926819
  H     14.60586975      8.76223613    -10.61899214
  O     13.87003962      9.37073387    -10.45167398
  H     12.43928885     12.40927335     -9.78080686
  H     13.08361987      9.07904677    -10.93676108
          69
 Energy    -250.85862738632161     
  O     14.72645669     10.59200663     -9.08062984
  H     14.52052834     10.96087528     -9.95040163
  H     17.07819806      3.03628224    -12.58277375
  O     13.94080393      8.33930737    -16.40418792
  H     15.68114623     10.45441254     -9.08760701
  H     13.76583008      9.05916304     -9.19118275
  O     16.40438782     11.13955830    -14.84599969
  H     14.12335248      7.41641096    -16.18084135
  H     12.98659988      8.33174071    -10.30817821
  O     14.78253045      6.20853938     -8.43639918
  H     14.78602389      8.72753406    -16.65871352
  H     18.08745773      5.26745594    -15.52613713
  O     17.53981140     10.06100611     -9.46518270
  H     16.73638834     10.93056747    -13.96348092
  H     17.39034272      3.89776742    -15.41846171
  O     17.09039517      7.63695254    -13.11485771
  H     15.51456249     11.49196051    -14.72710562
  H     13.22764348     12.74350942    -14.75031909
  O     14.42477282     11.11908845    -11.82269497
  H     14.21140760      6.92523823     -8.76981878
  H     13.12178687     11.20817549    -14.59801252
  O     18.01448427      5.85088620    -11.20913497
  H     14.44118270      5.95943720     -7.58224073
  H     11.32263323      9.52466297    -15.22024392
  O     17.29380529      6.94545810    -15.80452210
  H     18.22623956     10.41825582     -8.90804929
  H     12.81526792      9.17229465    -15.42895968
  O     15.59883754      3.17552529    -15.29497370
  H     17.48820201      9.10824765     -9.26789330
  H     12.54191373      8.99969784    -13.07306316
  O     14.74764340      5.84042367    -15.45831288
  H     17.31599572      7.45057125    -14.03479130
  H     13.46912777      9.57918558    -11.99444247
  O     16.12400041      2.90737637    -12.65193700
  H     16.17468456      7.34480790    -12.99490455
  H     16.32174632      5.20977920    -10.91895854
  O     13.31352726      8.22950356     -9.40900001
  H     15.33740725     10.82663618    -11.96956722
  H     15.10468970      5.23793744     -9.96443287
  O     18.23063222      4.34805020    -15.26642094
  H     14.14865413     11.58519873    -12.61915015
  H     17.70433881      6.84082327     -9.66467704
  O     13.68306506     11.97732042    -14.40984524
  H     17.81118458      6.51314937    -11.88635286
  H     16.50187593      7.01985035     -8.71032476
  O     12.19435557      9.66406151    -14.85970834
  H     18.43840512      5.11033588    -11.65969879
  H     18.74417240      3.93487588    -13.65336330
  O     12.93739463      8.80047323    -12.21725589
  H     17.17640522      7.78261103    -16.26966674
  H     19.68739411      3.12874390    -12.72849709
  O     15.39934514      4.92647260    -10.82933631
  H     16.41303448      6.54432123    -15.74389419
  H     14.68390729      6.02061505    -12.10178178
  O     17.34145812      7.41317130     -8.97574869
  H     15.30256427      2.34502344    -15.65719484
  H     13.94224970      7.33679985    -12.55242946
  O     18.90107537      3.66775104    -12.72965542
  H     15.71044465      3.04037013    -14.33633700
  H     17.09519276      9.32934994    -12.52764852
  O     14.52751744      6.62415858    -12.84015723
  H     14.59832325      6.06914778    -14.52730964
  H     17.30203522     10.25391208    -11.29891126
  O     17.02322160     10.24624890    -12.22364330
  H     14.92799288      4.89322549    -15.48871586
  H     16.87876729      9.88216760    -17.68021925
  O     16.55230179      9.41333711    -16.91697034
  H     15.73133266      3.47981527    -11.98018717
  H     16.55190970     10.04684646    -16.17697047
          69
 Energy    -250.85802650006144     
  O     10.99921560      9.21645721    -10.99786344
  H     10.29760526      9.84221214    -10.83602844
  H     14.72945389      7.65624144    -14.23673492
  O     17.17827075      5.91904977    -13.16294868
  H     11.09997450      9.15409386    -11.96562660
  H     14.08735402      6.13977373    -12.93340577
  O     13.12147722      5.17595883    -15.79260076
  H     17.09770685      4.96440651    -13.28605989
  H     12.58848836      6.11612984    -12.62257706
  O     16.30518803      3.60068653    -10.46081608
  H     17.06869745      6.08362671    -12.21454770
  H     11.17926376      6.16234244     -9.64840952
  O     16.43499429     10.64819858    -10.96509770
  H     13.17721743      5.24019386    -16.74248466
  H     10.73595860      7.37163921    -10.51370092
  O     12.50770400      5.43108407     -8.48402153
  H     13.80795837      5.76345696    -15.42873342
  H     18.09447950      7.56222855    -13.34562370
  O     14.31469502      9.28395390    -13.59124288
  H     16.47536529      3.37496472    -11.38425562
  H     18.53844399      8.56587054    -12.26564866
  O     18.34696480      8.81264784    -10.36699349
  H     16.64700768      4.49541353    -10.33722960
  H     13.76227360      6.66784373     -9.19142632
  O     14.05895477      3.03829472    -14.12789807
  H     16.53688989     10.79253402    -11.91398428
  H     13.97383902      6.78501020    -10.71541001
  O     11.95828369      2.62655330    -12.34603132
  H     15.50299132     10.43527299    -10.82559657
  H     17.08011154      2.42796715    -13.64316839
  O     13.57882578      3.85074035    -10.42222117
  H     12.41508418      5.00592555     -7.63594485
  H     15.69353812      3.10834169    -13.58359027
  O     14.92880587      6.74671288    -14.50149624
  H     12.86525479      4.76381466     -9.09755300
  H     17.47443166      7.17070625    -10.30636935
  O     13.45644013      6.00878158    -12.21645380
  H     14.15493912      9.37033494    -12.64089071
  H     16.02115841      6.65905306    -10.15174012
  O     10.58092536      6.43309332    -10.35482232
  H     15.10460168      9.80536174    -13.78288221
  H     17.38707290      9.82021864    -13.68684969
  O     18.39164044      8.47176058    -13.21544440
  H     18.99365306      9.18553781     -9.77399941
  H     17.21567615     11.17125048    -14.42335059
  O     14.28878815      7.12091242     -9.85937854
  H     17.65999734      9.49089638    -10.49736783
  H     10.05193773      5.22697107    -11.49981867
  O     16.61784280      3.18025056    -13.28326562
  H     13.31462613      2.81086710    -13.55251697
  H      8.91019042      4.35560934    -12.07495402
  O     16.91005891      6.39754257    -10.43036149
  H     13.71745345      3.67149363    -14.76788702
  H     12.84273857      9.64910125    -10.81337186
  O     16.78383955     10.57390266    -13.81910784
  H     11.18666609      3.20351611    -12.31811502
  H     14.05141386      8.80251460    -10.38692379
  O      9.82976694      4.57874947    -12.19264117
  H     12.47075239      2.84503853    -11.55553623
  H     12.41320381      9.13128662    -13.81444098
  O     13.80665416      9.62749206    -10.83257567
  H     13.51043347      4.50482443    -11.13384632
  H     11.32917604      8.02404707    -13.85306510
  O     11.48008817      8.95654591    -13.64095659
  H     14.52162196      3.64726767    -10.33677533
  H     10.65872009      5.57551590    -13.51782398
  O     11.23465041      6.20923618    -13.96397046
  H     15.78769991      6.50380295    -14.12919232
  H     11.74221104      5.74444475    -14.64148938
          69
 Energy    -250.85763514234330     
  O     12.59598243      5.66785590    -15.76974421
  H     12.11839248      5.86624771    -14.94372101
  H     19.48323740      7.78882961    -13.24472910
  O     16.64802024      6.44989037    -11.55644587
  H     11.93685554      5.46906710    -16.42885985
  H     16.51952345     11.75080950    -14.40580973
  O     17.26293964     10.76911258    -10.93787250
  H     16.50607162      7.34549084    -11.90203789
  H     17.36456622     10.65676392    -15.08756823
  O     17.17029636      8.86140964    -15.43299538
  H     17.42044367      6.50034504    -10.98113199
  H     15.31922184      9.09305746    -12.93925301
  O     14.30721705      3.91986594    -14.22367657
  H     18.07662114     11.03243879    -11.38008428
  H     16.71581889      8.94872247    -13.55744974
  O     12.82806763     10.28281590     -9.95342122
  H     16.87885786     10.08900733    -11.51388727
  H     11.76897033      5.37075078    -12.81292158
  O     14.10207066      6.22067076    -10.53253252
  H     16.35095439      8.39720425    -15.65129580
  H     11.62650851      6.90054706    -12.84962340
  O     14.63624391     11.94505550    -14.03745544
  H     17.85883172      8.18845356    -15.35553721
  H     17.15143563      9.63465092     -9.44969506
  O     14.35173215      8.16396080     -8.67564975
  H     13.83839642      3.90278149    -13.37968738
  H     17.70470426      8.23802288     -9.15453600
  O     18.88342407      6.74715965    -14.78270910
  H     13.71651343      4.36867279    -14.84034392
  H     12.52526271      3.50721812    -11.16111811
  O     16.56513510      5.45585458    -14.09762390
  H     13.48739960     10.86531910    -10.37026469
  H     13.26945030      4.85829909    -11.25805862
  O     19.70012017      8.25467220    -12.42954347
  H     12.25323812     10.84429414     -9.44003048
  H     20.08897294     11.71763209    -12.90980896
  O     17.42554626     11.50563366    -14.62654968
  H     14.12609598      6.81088249     -9.76272288
  H     18.71053908     11.29387417    -13.46656496
  O     16.23940077      8.90417030    -12.71940606
  H     15.00332935      6.20271421    -10.88216106
  H     19.69333114      6.65768174     -9.69054067
  O     11.44482314      6.09999554    -13.35771472
  H     14.07491211     12.49919933    -14.57462362
  H     19.26952525      7.52270945    -10.90178013
  O     17.03675252      8.87095848     -8.86911444
  H     14.25870615     11.04939934    -14.07218568
  H     15.60737073     11.60479529    -10.98056949
  O     12.81853710      4.17134748    -11.77951924
  H     15.28868816      8.41276050     -8.66358675
  H     14.65402979     11.99818667    -12.12450548
  O     19.38811789     11.08045557    -12.80023662
  H     13.86592676      8.93834790     -8.97855975
  H     14.07812497      6.76221568    -15.71145322
  O     18.93987727      7.06829539    -10.10550597
  H     18.10831845      6.19635785    -14.57646686
  H     15.42260649      6.67191657    -14.95435596
  O     14.68745343     11.82855710    -11.17618139
  H     19.48622194      6.19739591    -15.27729331
  H     12.49203588      8.91798676    -11.15019692
  O     14.85436936      7.27567771    -15.45335506
  H     16.60867720      5.70907030    -13.16314056
  H     13.08142653      7.50694770    -11.38789365
  O     12.52199859      8.18969562    -11.78446930
  H     15.86875978      4.78785380    -14.17670331
  H     14.05658788      8.63848185    -14.51325991
  O     13.75567464      9.35397551    -13.93665592
  H     19.62961812      9.20102043    -12.60592191
  H     13.22187317      8.96189495    -13.23079561
          69
 Energy    -250.85583930929579     
  O     15.87521039     11.35749533    -10.71858707
  H     16.73727495     11.44192299    -11.13864116
  H     17.27278788      6.89958204     -9.61326016
  O     14.26681736      7.55623035     -9.00838779
  H     15.25504245     11.03072276    -11.39249171
  H     18.06720884      7.40278602    -15.86784466
  O     16.12301610      5.43116275     -9.30399261
  H     14.79508727      6.75247932     -9.06506170
  H     19.24775543      7.72747828    -14.93009614
  O     12.53644546      9.05670566     -7.35527606
  H     14.89235471      8.28695105     -8.89689565
  H     19.08961225      8.37634629    -10.83992392
  O     11.46378006     10.49354550     -9.58923715
  H     15.92072764      5.05536169    -10.17888473
  H     19.31133308      9.65403752    -11.67439156
  O     13.63026156     12.09420852     -9.12145877
  H     16.25245050      4.69500644     -8.71200935
  H     13.74966028     10.20074503     -6.79956266
  O     14.58157905      9.96343343    -15.25402110
  H     13.03233969      8.36768178     -7.81795016
  H     14.45926321     11.08785756     -5.74732486
  O     16.87525299      5.87492720    -15.96192800
  H     12.01400756      9.49976422     -8.03621559
  H     13.19863707      8.05041491    -10.39125271
  O     14.06687820     10.40986780    -12.48437626
  H     10.68464245     11.02741172     -9.71900628
  H     12.08446652      9.07911521    -10.66679966
  O     16.43307632      7.84444340    -12.37609222
  H     12.21190386     11.11037745     -9.49834964
  H     16.30173261     10.04525521    -14.59017040
  O     17.70726918      5.59691556    -13.35237894
  H     14.39485158     12.02009229     -9.70660496
  H     17.70156808      9.35548673    -14.71913094
  O     17.67648823      7.74465651     -9.84657484
  H     13.94210557     11.83956300     -8.24447615
  H     20.03122997      7.60730233    -12.76363545
  O     18.63640951      8.12100679    -15.56606528
  H     14.15081807     10.38540288    -15.99196989
  H     21.11369446      6.73229637    -13.43498156
  O     19.65253348      8.76533904    -11.52403412
  H     14.49531124      9.00217028    -15.38754094
  H     15.22355452      6.78517032    -15.71421174
  O     14.47402260     10.83878806     -6.66697763
  H     17.14975418      5.65781126    -15.05523399
  H     14.16119951      6.95593721    -14.60030786
  O     12.62578430      8.40124837    -11.08991858
  H     16.96081815      5.07469953    -16.47446512
  H     14.89036584      5.10644948    -12.16507526
  O     17.15609756      9.92744303    -14.15745440
  H     14.12079371     10.25914180    -13.43408313
  H     16.35807980      4.66669353    -12.35718186
  O     20.18343238      6.93926326    -13.45643451
  H     13.56113637      9.68056771    -12.10471890
  H     17.93618128     10.86561280    -12.91870688
  O     14.43511173      7.28289908    -15.46871465
  H     16.66644805      8.61117208    -12.91275298
  H     18.82779231     12.04008148    -12.44966253
  O     15.57953617      4.53243122    -11.80189557
  H     16.84904527      7.93317429    -11.50991217
  H     14.81970761      7.11785883    -12.61722269
  O     18.35071283     11.27474694    -12.13774996
  H     18.63787715      5.85197640    -13.35171032
  H     13.31332448      7.13258020    -12.28940359
  O     13.98625035      6.64605910    -12.78089832
  H     17.23337804      6.37601004    -13.01890746
  H     15.70141207     10.04948225     -7.84124872
  O     16.10779960      9.62607410     -8.60629758
  H     17.24809687      8.42236665     -9.30330688
  H     16.03410559     10.24775523     -9.34715725
          69
 Energy    -250.85541369394190     
  O     12.16685431     10.49200876    -14.70169892
  H     12.83467565     11.13801047    -14.96109914
  H     14.35646284      5.44536784    -14.28361157
  O     14.88318218      6.35699537    -12.79391006
  H     11.98105957      9.92743820    -15.46805416
  H     16.88631294     10.52888105    -16.23734278
  O     17.82026739      9.96966718    -12.58526954
  H     15.82272328      6.56707171    -12.69540174
  H     15.63998093     10.00913875    -16.97830178
  O     18.36985655      9.79386174    -15.30545418
  H     14.43486135      6.63954116    -11.98659612
  H     13.48678190      8.97929958    -14.28303509
  O     11.41553710      6.35619316    -15.00853927
  H     18.04978701     10.05558190    -11.65163186
  H     14.44791255      7.83502366    -13.78159741
  O     15.59558148      9.95379541     -8.89859592
  H     16.95826110     10.39732038    -12.70073200
  H     10.33779226     10.88919795    -12.13677811
  O     13.54615918      7.46135998    -10.63655582
  H     19.27249542     10.03857003    -15.49946501
  H     11.45385069     10.48643552    -13.13361556
  O     15.29988934     10.92517586    -13.06710258
  H     18.26299688      9.88427235    -14.34496591
  H     18.02170033      8.08117075     -9.77120229
  O     15.91072275      5.82863757    -16.99463423
  H     10.62724100      5.82088554    -15.05947806
  H     17.71716246      6.97317351    -10.79297237
  O     15.34758248      7.11455137     -8.52266256
  H     11.41947806      6.75678367    -14.12152597
  H     12.09399928      7.35423263    -11.85114876
  O     17.97022137      6.90539865    -15.31705593
  H     14.87307239     10.17953926     -9.49872151
  H     11.21353811      8.47636925    -12.41957402
  O     14.02816968      5.20506460    -15.16193682
  H     15.44185406      9.03970703     -8.62900295
  H     17.75846244      6.90831609    -13.54610927
  O     16.07520153     10.81750886    -16.67254567
  H     14.06517356      7.23670987     -9.85438200
  H     17.59549670      8.10976836    -12.59047643
  O     14.39890479      8.66708519    -14.26899883
  H     13.60999375      8.42189924    -10.73802946
  H     18.69838470     10.52344677     -9.20141579
  O     11.13898023     10.37887863    -12.21726419
  H     15.07538662     10.07973606    -13.49189006
  H     17.24127024     10.07728908     -9.46863443
  O     17.71287344      7.17027606     -9.84634489
  H     15.02846954     11.60345801    -13.69573964
  H     14.71210278      8.45584902    -16.04257922
  O     11.47481853      7.55934649    -12.56289771
  H     16.04744516      5.10034784    -17.59405737
  H     15.17550609      7.52763857    -17.18511190
  O     17.52600015      7.14731480    -12.63619370
  H     15.23190857      5.54340771    -16.35547345
  H     12.74901877     10.39239842    -11.24162281
  O     18.15455851     10.02320264     -9.80396987
  H     15.40406830      6.55433971     -7.75361523
  H     14.23970041     10.56452048    -11.62608367
  O     14.77224061      8.38582879    -17.00883464
  H     16.20245429      7.04537210     -8.98530873
  H     14.93592046     11.80803313    -15.84016259
  O     13.64997552     10.25852663    -10.92258142
  H     17.31124913      6.55085653    -15.92574423
  H     14.23472010     13.17725667    -15.67276480
  O     14.29335144     12.30287404    -15.29839659
  H     18.05019807      7.84797235    -15.50386540
  H     11.74082389      7.80106811    -16.19144414
  O     11.96833262      8.61833996    -16.65333089
  H     13.12104890      5.53005232    -15.19519976
  H     12.87331011      8.50670607    -16.97364818
          69
 Energy    -250.85481907826752     
  O     14.53073343      3.80657847    -14.13236424
  H     15.48751141      3.91238543    -14.08597709
  H     14.57033822      9.47412524    -14.70787129
  O     17.32932437      7.11045639    -13.75607964
  H     14.18512644      4.68310368    -14.35405488
  H     11.82794952      5.49890533     -8.89022143
  O     14.18168441      8.07550021     -9.92684074
  H     17.64566743      7.56698897    -12.96757964
  H     10.34778987      5.58505968     -8.46196626
  O     10.96747814     10.75583540    -11.52044214
  H     16.63531728      7.67329565    -14.12138841
  H     14.15260231      6.18927802    -12.51449416
  O     17.93231317      8.64859212    -11.40775066
  H     14.56359087      7.80871173     -9.08352750
  H     13.71398168      5.13166583    -11.48899772
  O     17.34578335      4.40362696    -13.78973180
  H     14.20222363      7.28953449    -10.49888698
  H     15.73854537      7.09730335     -6.87629169
  O     11.49966018      8.29285188    -10.42868492
  H     10.30153899     11.23175368    -11.03050496
  H     16.21590855      6.74693333     -8.30650816
  O     10.97237157      9.65434362    -14.16460413
  H     11.09185781      9.90498889    -11.06744514
  H     15.36524577      2.04502611     -9.35190043
  O     16.57412054      4.52036926    -11.11544758
  H     17.09722837      9.14303573    -11.47353931
  H     15.61842885      3.33948968    -10.15855946
  O     13.56720587     11.58943942    -12.44034077
  H     18.63243149      9.29699157    -11.39481299
  H     14.87408025     10.53155379    -11.84876634
  O     13.25721039     10.70299219    -15.16709543
  H     17.35232790      5.37729658    -13.83583098
  H     15.00680699      9.23714324    -10.99162982
  O     15.13564591      8.82463247    -14.27099086
  H     18.03921194      4.09750917    -14.36763863
  H     17.32035745      5.81085423    -10.01107582
  O     10.95408437      5.83598021     -9.15458264
  H     11.16430151      7.51065576     -9.97303525
  H     17.69509480      7.30589336    -10.08588597
  O     14.24179665      5.93493257    -11.58643362
  H     12.44373506      8.33085671    -10.21493970
  H     13.88794597      4.15014072     -8.77152902
  O     15.42765655      6.84838793     -7.74222496
  H     10.83471745     10.11513906    -13.32764013
  H     14.09800451      5.53322122     -8.12230058
  O     14.93601376      2.82373299     -9.69690747
  H     10.94363815      8.71329294    -13.94542596
  H     12.75484224      6.71033475    -13.92837139
  O     15.46444808      9.79343671    -11.63846218
  H     16.96704406      4.34538333    -11.97930578
  H     14.13221550      7.30562140    -14.36114906
  O     17.48908808      6.59324115     -9.46902354
  H     15.80483345      5.08643019    -11.28817793
  H     13.64752478      2.96579024    -11.14284419
  O     13.41888469      4.91085700     -8.41002095
  H     13.49036017     11.44419851    -13.39157167
  H     13.59721474      3.38921773    -12.64850506
  O     13.64390020      6.48153721    -14.23605584
  H     12.69553008     11.39544403    -12.07428573
  H     11.40799017      4.12150022    -11.86921226
  O     13.09578045      3.37572862    -11.81680170
  H     13.08553279     11.16966965    -15.98026000
  H     10.64873549      5.03070382    -10.89211440
  O     10.65198282      4.72199601    -11.80588423
  H     12.41404202     10.30012403    -14.89061854
  H     11.38109681      7.56783400    -12.19587964
  O     11.21912104      7.10682977    -13.02854102
  H     15.24126448      9.13077374    -13.35932681
  H     10.91236831      6.22537689    -12.76882948
          69
 Energy    -250.85277003019638     
  O      3.95151523      1.49056688      2.73622352
  H      3.34270913      2.21475319      2.93111599
  H      5.97148659      4.24922871      8.78454584
  O      0.08863170      0.87113801      3.04544319
  H      4.40237439      1.73281867      1.91896174
  H      2.90830252      0.54137372     -0.34028746
  O      3.65219777      5.72320766      6.47288361
  H      0.76017210      0.18640389      2.92054398
  H      3.60377867      1.91333183     -0.31861846
  O      5.57603340     -1.71696321      4.32900414
  H      0.17189625      1.45337388      2.28083290
  H      7.62338871      1.73508939      1.82412398
  O      3.39559964      2.47895268      8.22235777
  H      4.31620902      5.32234429      7.04719980
  H      8.33944782      0.89741623      0.74163177
  O      0.76847581      2.70718195      0.93042540
  H      2.82241952      5.27551524      6.68006881
  H      3.60315354      4.61510389      3.60786453
  O      5.19967209      2.51024635      0.41725701
  H      5.72272090     -1.67321213      3.37271589
  H      4.15465662      5.46795070      4.77480390
  O      3.05209330     -2.14092672      5.11942712
  H      5.73833507     -0.82335442      4.65893807
  H      1.76783298      1.53190146      5.59478185
  O      2.34999767     -0.78464183      2.75628296
  H      2.64575247      3.04297984      7.99496906
  H      0.60505257      1.67275220      4.56202414
  O      3.32040350     -1.22235636      0.23324673
  H      3.29113139      1.67823531      7.69282975
  H      1.77346660      3.18602819      3.91502007
  O      7.71133992      3.15180597      2.85894806
  H      0.17489341      3.12093533      0.30953591
  H      1.66911934      3.42618609      2.37592635
  O      5.54219650      4.11698203      7.94373189
  H      1.45369292      2.25805813      0.40397102
  H      4.99937370      1.14039970      4.13525338
  O      2.74902263      1.48516627     -0.46355207
  H      5.39010426      3.40012872      0.74074534
  H      5.87245935      1.85020771      5.19282553
  O      7.48445982      1.06686346      1.12962309
  H      6.01853651      2.00190983      0.49283921
  H      0.48926160      4.40306019      7.47356188
  O      4.39228361      5.08200940      3.91892692
  H      2.91325534     -3.01836310      5.46352615
  H      1.14635236      3.45585904      6.44604378
  O      1.10296040      2.14352421      5.24698831
  H      3.99248351     -2.08082610      4.86278491
  H      5.35385724      5.10705499      2.43932806
  O      2.20308146      3.61186347      3.15946150
  H      2.52676418     -1.31571660      3.54230312
  H      6.03119438      5.85850970      1.27173915
  O      5.45392821      1.00779946      4.98166769
  H      2.93924372     -0.01460810      2.79000986
  H      3.94109532      0.69495598      5.88383949
  O      1.33272895      4.12989129      7.12112568
  H      2.89908840     -1.18032765      1.10884256
  H      2.94329170     -0.46835474      6.03702235
  O      5.88020488      4.98752831      1.63019757
  H      3.02943697     -2.03581956     -0.17217756
  H      6.23494394      3.79131434      6.25046089
  O      3.08009634      0.45870628      6.26221983
  H      7.44938361      3.23744019      3.78400499
  H      5.69578404      4.07618461      4.82890238
  O      6.38113999      3.59760714      5.31596615
  H      7.23368563      3.85216451      2.39734465
  H      6.43422837     -0.50545017      1.42918820
  O      5.90017159     -1.28960587      1.60389469
  H      4.82557349      3.47419727      8.09214219
  H      5.12177847     -1.22988959      1.03973645
          69
 Energy    -250.85210520882077     
  O     17.33359589      8.21190514    -14.24367976
  H     16.55534991      8.78884249    -14.18059904
  H     18.20883531     11.63596260    -15.49991538
  O     17.17055591     11.23012097    -11.06705606
  H     18.03930771      8.67870436    -13.78217126
  H     12.57802136     10.93969541    -15.03567848
  O     15.26070078     12.51742784    -14.70683447
  H     16.24311301     10.95365729    -11.07196966
  H     13.37291679     12.18466829    -14.59785832
  O     12.15805248      6.82203493    -14.64097635
  H     17.58062601     10.79157752    -10.30679591
  H     15.26891866     10.77644925    -14.15386664
  O     16.37698038      7.48066489     -8.67892272
  H     15.87492151     12.90396619    -14.06943352
  H     14.98332615      9.90775429    -12.90606590
  O     16.29898449      6.27165131    -12.52169187
  H     15.76353830     12.33267164    -15.51239916
  H     11.99255900      8.84295281    -12.06894139
  O     14.60422819     10.24028633    -11.15557864
  H     11.52689154      6.18404956    -14.96266390
  H     12.09884153      7.53677339    -12.89403672
  O     15.42844405      9.33597201    -17.31999675
  H     13.03287938      6.39310405    -14.67380420
  H     21.03663489      8.20232133    -10.90122353
  O     18.15278065      6.12294968    -10.49998354
  H     15.99827399      7.15768623     -7.86490895
  H     19.79588331      8.78484792    -11.61348620
  O     16.82403533     11.61118843    -16.84904637
  H     15.66117204      7.48064956     -9.33614207
  H     15.23766333      6.05060476    -15.43216168
  O     16.62347050      6.87508142    -16.50809916
  H     16.96935610      6.05948342    -11.85607367
  H     15.15853760      5.76987510    -13.91765747
  O     18.79452977     11.76195392    -14.74377308
  H     16.69657007      6.93209205    -13.10538898
  H     17.46397001     14.12547933    -12.43109447
  O     12.51965272     11.74312262    -14.49996727
  H     13.69243800     10.51024815    -11.32516352
  H     17.24059113     12.62027276    -12.16424909
  O     15.21772813      9.86329375    -13.84085626
  H     14.59314906      9.30265660    -10.91422775
  H     18.33308246     10.28441175    -12.18485018
  O     12.17363828      7.89817261    -12.00213198
  H     14.55976617      9.30692765    -16.89722931
  H     19.09239576     10.49236409    -13.51511842
  O     20.08284062      8.20964031    -10.88452849
  H     15.82048385      8.46612577    -17.17905946
  H     17.59463388      8.92926903     -8.91010996
  O     14.63840559      5.76625818    -14.73248155
  H     17.63063844      6.48855677     -9.77517933
  H     18.96025773      9.12195985     -9.59514262
  O     17.24614099     13.30114317    -12.85875931
  H     18.87419306      6.74790262    -10.64429400
  H     13.87420622      9.36656457    -14.95941595
  O     18.99188125      9.88297365    -12.76877417
  H     17.00053252     12.01813251    -17.69362163
  H     12.72104603      8.43283725    -15.39209474
  O     18.24437811      9.59926657     -9.15845228
  H     16.35291087     10.78020407    -17.03735589
  H     13.66160392      7.52999087    -11.10673020
  O     13.18097694      9.24716539    -15.62774346
  H     16.99694691      7.33175735    -15.73370465
  H     15.12053957      7.05381012    -11.38969469
  O     14.55896140      7.50286492    -10.74152330
  H     17.33079133      6.36388937    -16.89357311
  H     11.25020223     11.25400722    -11.63563402
  O     11.99200129     10.78613057    -12.00998706
  H     18.35368651     12.40460941    -14.17351774
  H     12.14136136     11.16245407    -12.89493397
          69
 Energy    -250.85153302830571     
  O     11.74514737      9.66567704    -12.86127915
  H     10.91231433     10.12678274    -12.80311058
  H     14.86020935      7.30733894    -16.57101058
  O     16.43503965      7.04951294    -13.97869464
  H     12.19672697      9.99928516    -13.65581110
  H     20.56638504      8.66528040    -15.56034455
  O     18.20255683     10.42906666    -11.65382628
  H     16.17199512      6.85163810    -14.88552946
  H     19.45327854      8.57502704    -14.49132982
  O     17.90309661     13.52019080    -15.18398589
  H     15.71309922      6.83780542    -13.36942923
  H     16.25256404     13.68856173    -14.24315018
  O     13.28261022      7.80082817    -16.12826031
  H     17.33052038     10.82761369    -11.79041828
  H     14.76928754     13.45917584    -14.56263935
  O     15.53155286      8.61081045     -8.97909709
  H     18.25653684     10.18494206    -10.72206351
  H     16.33173286      9.86254909    -15.24427601
  O     14.54192985      6.82539652    -12.01213034
  H     18.49197768     14.25810192    -15.31850056
  H     15.95615467      8.80791870    -14.18913771
  O     15.69839087     11.37835909    -12.30042554
  H     18.42316420     12.82694724    -14.74048720
  H     18.72655075      7.13983109    -11.23659485
  O     16.35054027     12.08892588    -17.06907674
  H     12.89453619      7.36507819    -15.35498637
  H     18.51568615      7.72399241     -9.82739750
  O     16.01555588      5.90167060     -9.82287146
  H     13.14572924      8.74327360    -15.97916024
  H     11.92946070      7.77922679    -13.37019290
  O     17.31401837      9.45282030    -16.78457393
  H     14.91966375      8.96373231     -9.63850199
  H     12.99707590      6.71530866    -13.09126761
  O     15.78201209      7.02817416    -16.72691754
  H     15.57918493      7.66049470     -9.14005326
  H     19.02053543     11.22829859    -13.12688154
  O     19.70525040      9.00333552    -15.32725714
  H     14.38763749      7.74204769    -11.74046959
  H     19.52215005     10.74368823    -14.50441448
  O     15.37770891     13.63642078    -13.83605928
  H     14.98076716      6.38759824    -11.27208326
  H     17.95685375      7.60943427    -13.28892447
  O     15.80587485      9.72560437    -14.44743167
  H     15.77811054     10.79734220    -13.07447247
  H     18.53000910      8.84431987    -12.51088887
  O     18.49492548      6.90017734    -10.33106915
  H     15.53358812     12.25961793    -12.66161858
  H     17.17013510      9.20472469     -8.96515756
  O     12.27350752      6.93720006    -13.69176534
  H     16.95046977     12.58388084    -16.49484651
  H     18.38415661      9.76791762     -8.18678280
  O     19.29752120     11.53370364    -14.00100139
  H     16.71672248     11.19979639    -17.14943945
  H     13.51893499     13.47111603    -16.85463667
  O     18.77065105      8.01412030    -12.94916551
  H     16.92762003      6.17803316    -10.02360790
  H     14.75066564     12.57111472    -16.59936943
  O     18.11593605      9.42858243     -9.03618662
  H     16.07555663      5.09130236     -9.32448319
  H     13.16647613      9.56839153    -11.64156606
  O     13.89848976     12.86292955    -16.22629457
  H     18.17125811      9.26565495    -16.37976387
  H     14.57794747     10.19614924    -11.50724804
  O     14.02128878      9.46350005    -11.20598600
  H     16.84561804      8.61243335    -16.87497297
  H     14.09150162     10.15918403    -14.81756195
  O     13.19502218     10.43891252    -15.05662922
  H     15.75008502      6.32979122    -17.37498775
  H     13.29103687     11.29660529    -15.48809641
          69
 Energy    -250.85002853921134     
  O     12.02298131     10.31595430    -15.35939712
  H     12.55622069     11.10663926    -15.21232577
  H     14.84302681      5.49484953    -16.32870073
  O     15.60133583      6.17917466    -13.39141914
  H     12.54163082      9.74039643    -15.93599421
  H     18.90658510      7.16658602    -14.70940592
  O     17.05336581      9.89620491    -11.48788044
  H     14.84301292      6.16228639    -12.79451173
  H     20.28494839      6.86026348    -14.07739230
  O     18.32476247     11.31780852    -16.03193917
  H     16.35809709      6.45700124    -12.85918130
  H     16.57704849     11.83401289    -16.43506110
  O     12.91372773      5.94338952    -16.39574760
  H     16.57253588      9.74772643    -10.66120646
  H     15.47765448     11.43600398    -17.44636516
  O     15.27667152      9.12297956     -9.50599217
  H     16.38904643     10.23520825    -12.10641795
  H     15.50490468      7.72588519    -14.35251146
  O     13.61720485      6.38555920    -11.46982955
  H     18.48569799     10.88634292    -15.17511512
  H     16.51306646      8.29122530    -15.35541257
  O     15.01614103     10.55078634    -13.21481699
  H     19.03906177     11.93799278    -16.15775855
  H     10.07627635      9.22946522    -13.13855643
  O     17.74717063      9.20669593    -17.86501866
  H     12.31683398      5.31394910    -16.79190066
  H     11.32562698      9.50056648    -14.01217940
  O     15.90558012      6.29988297     -9.75662619
  H     12.61202710      6.06947176    -15.47822239
  H     11.61252144      7.26517146    -13.69612293
  O     17.88111103      7.14811975    -16.10237626
  H     14.47855567      9.20018163    -10.04516411
  H     12.48546433      6.19865082    -13.02192949
  O     15.75888240      5.36839126    -16.05954736
  H     15.43189752      8.17654616     -9.40605034
  H     18.34409695     10.11815453    -12.86329438
  O     19.43642995      7.25573064    -13.89651780
  H     14.27211851      6.20817649    -10.78416596
  H     19.15133673      9.14465254    -13.74591094
  O     15.67557835     12.03517560    -16.71680738
  H     13.48414459      7.34642125    -11.47046178
  H     18.34538649      7.10556911    -12.40068487
  O     15.69590706      8.50669702    -14.89196010
  H     15.27738946      9.88763748    -13.87240069
  H     17.43541213      8.12718238    -11.67052471
  O     10.99478256      8.99794347    -13.24567975
  H     14.61237280     11.28455842    -13.69084524
  H     14.55778850      9.48136321    -18.08222668
  O     12.05200870      6.42012687    -13.85442575
  H     18.01286961      9.94675557    -17.30364752
  H     14.69603424     10.05786917    -19.51110399
  O     18.84639422     10.05750835    -13.68528207
  H     16.89375966      9.44960296    -18.24272626
  H     13.86070064      9.65286437    -12.12372589
  O     17.62968508      7.18148577    -11.75711982
  H     16.30762259      5.70728991     -9.12610463
  H     12.40448702      9.15564959    -12.01470404
  O     15.11981463     10.02788507    -18.65735573
  H     16.59435172      6.52554690    -10.40331170
  H     13.64329878     13.41032948    -14.75311090
  O     13.25727044      9.14506786    -11.56256734
  H     17.18954627      6.48498069    -16.24397102
  H     14.47084389     12.37478864    -15.55528035
  O     13.79886033     12.47576671    -14.85586807
  H     17.89643382      7.76243177    -16.85106375
  H     13.36665060      7.67855811    -16.81121160
  O     13.71821552      8.57757421    -16.81295820
  H     15.74051713      5.45911329    -15.09521650
  H     14.41561202      8.59121076    -16.13953676
          69
 Energy    -250.84800638519857     
  O     11.22523407     10.12751750    -13.37737748
  H     11.53666541      9.62953994    -12.59990416
  H     14.43902983     10.99012308    -16.67148342
  O     16.57961108      6.57193059    -13.31407845
  H     10.30832723     10.33524673    -13.21865351
  H     15.92117542      9.05037693    -14.93670899
  O     17.81547467     11.10859054    -12.92401397
  H     16.09898464      6.44816523    -12.48312356
  H     15.60136464      8.02235142    -13.84062253
  O     12.92225083      5.95298023    -14.35889610
  H     16.20941072      5.99594971    -13.99440661
  H     12.94095300      8.92602886    -10.82037236
  O     16.89548922      9.68948576     -8.55015667
  H     18.06403025     10.18670919    -13.08487217
  H     12.21924350      7.69318702    -11.39888498
  O     15.21043193      6.61758572    -10.93345061
  H     16.88015908     11.11412247    -12.66493693
  H     20.64680262      7.57934342    -10.65319613
  O     15.13930380     10.87296313    -12.42650320
  H     13.72598674      5.66015121    -14.80433898
  H     19.10892623      7.63075201    -10.48740954
  O     15.86524488      7.40172809    -17.24649157
  H     12.72039739      6.82777888    -14.71640249
  H     12.70433060      5.84018357    -12.65136988
  O     17.67915227      7.14200377     -9.60156247
  H     16.99909843     10.09845745     -7.69527080
  H     12.02176024      5.13616107    -11.45325478
  O     15.42495520      5.32334102    -15.55587358
  H     17.55384214     10.09897213     -9.13964144
  H     17.92165191     12.73512424    -15.76175125
  O     17.56765964      9.17416137    -15.93506490
  H     14.34431175      6.22387431    -11.09522921
  H     17.60754133     11.77490805    -14.59299785
  O     14.58325945     11.74283562    -16.08822851
  H     15.04617165      7.54766213    -10.71482556
  H     17.93772938      7.73711585    -13.38352450
  O     15.27486225      8.83124754    -14.25466282
  H     15.15901407     10.14634074    -13.06796388
  H     19.18566876      8.29570852    -12.67216746
  O     12.15090963      8.65025843    -11.30266399
  H     14.46955074     11.49235071    -12.74964496
  H     19.29503556      9.80414870    -10.48892557
  O     19.86388791      8.03132499    -10.95568053
  H     15.15866704      8.01322420    -17.48699564
  H     18.51269911     10.96054648    -11.13770897
  O     12.62120934      5.84161925    -11.68051074
  H     16.58811688      7.95868610    -16.92531008
  H     13.29152827      9.08620536    -16.81237158
  O     17.43790169     11.94480964    -15.53466114
  H     17.39605285      7.92445273     -9.11087266
  H     13.18449300      9.48413121    -18.30246804
  O     18.60879713      8.43515932    -13.43277355
  H     16.87985113      6.77931677    -10.00197915
  H     15.35476544      9.46289766     -9.57694301
  O     18.78393721     10.59794876    -10.28564181
  H     15.64852787      4.51471892    -16.00909906
  H     14.85752139      9.90112440    -10.97909629
  O     13.80817534      9.35370136    -17.59206082
  H     15.57212503      6.04804414    -16.19030183
  H     12.45449042     11.60680491    -13.65226533
  O     14.70141024      9.27035158    -10.25942282
  H     18.09850775      8.89083683    -15.17761777
  H     13.58106526     12.11923051    -14.58983308
  O     13.18031902     12.23816564    -13.71501057
  H     17.61783631     10.13774962    -15.96883114
  H     12.10619516      9.15373343    -14.65135907
  O     12.69949640      8.62686312    -15.20140153
  H     15.53591520     11.82995129    -15.96995075
  H     13.59045598      8.72502123    -14.82775871
          69
 Energy    -250.84755538497228     
  O     16.43028370      6.31612437    -12.72795559
  H     15.58295590      6.28347723    -12.26405789
  H     19.38528367      8.12051137    -14.49545580
  O     16.75977944     10.81260998    -11.95143237
  H     17.00389047      6.92790613    -12.24510921
  H     16.77813209      8.29214116    -15.06871355
  O     17.45858330     11.45204159    -16.40059508
  H     16.00550185     10.83789531    -12.55649622
  H     16.01135807      7.62211130    -13.91653871
  O     14.30793786      4.73373276    -15.98262366
  H     16.41901575     10.99984792    -11.06823601
  H     10.86411466      7.94168165    -15.20454035
  O     13.33926552      9.60989551     -9.74830061
  H     17.68484492     10.70512714    -16.96325332
  H     12.39177504      7.72196307    -15.30348856
  O     13.92821201      6.50684137    -11.56893128
  H     17.95383142     11.35059501    -15.57375191
  H     17.29223463      8.24205869     -9.86007014
  O     14.69835822     10.58055667    -13.80302516
  H     13.78971843      4.81612817    -15.16181855
  H     16.48772255      9.29299868     -9.07108481
  O     17.57976382      9.08490983    -18.09958127
  H     14.02422190      3.92710512    -16.40478134
  H     12.21337290      5.97616259    -14.05166520
  O     14.36224776      7.06721961     -8.87132028
  H     13.05024074      9.45355109    -10.65681156
  H     13.16215252      5.49670602    -12.94604158
  O     18.36031483      7.64490392    -15.84511081
  H     13.53199958      8.74110641     -9.37432334
  H     18.11999494     11.10667908    -13.23495788
  O     17.05393083      5.29520082    -15.27794514
  H     14.03012506      6.56596234    -10.61096200
  H     19.22522048     10.24372805    -13.87218970
  O     19.86659541      8.43009730    -13.70855228
  H     13.60683175      7.36974228    -11.86758999
  H     17.53864107      9.16690477    -11.75407632
  O     15.94319506      8.31526178    -14.58702179
  H     15.18381163      9.78791150    -14.08827550
  H     18.73305190      8.30280528    -12.22146541
  O     11.63906698      7.73543234    -14.68803927
  H     14.61815268     11.13612749    -14.58690093
  H     15.51811912     11.70959079     -8.76128205
  O     16.73569067      8.35992607     -9.07938315
  H     16.61353789      9.20531083    -18.10101465
  H     14.77483696     10.57800768     -9.51231418
  O     12.77095521      5.23386569    -13.78975356
  H     17.86242837      9.13602574    -19.00890876
  H     14.73915017     10.31610327    -17.41769278
  O     18.72481206     11.05938285    -13.98646530
  H     15.25256443      7.46158020     -8.90995365
  H     14.43133634      8.80099870    -17.47458989
  O     17.98705677      8.32025202    -11.60939004
  H     14.30352522      6.59707687     -8.04438349
  H     12.32829175      8.60222102    -13.16119338
  O     15.64362663     10.99999969     -9.38530296
  H     18.16456259      8.03485122    -16.70621680
  H     13.47733639      9.60339963    -12.89679110
  O     14.89573715      9.51404794    -17.93159750
  H     17.95443457      6.76483788    -15.78681782
  H     15.78672394     11.79649255    -16.31729430
  O     12.89455714      8.96058442    -12.46711880
  H     16.92426709      5.48473259    -14.33730039
  H     14.60133756     12.75317338    -16.59512391
  O     14.81374294     11.87655549    -16.28683982
  H     16.18487460      5.03503503    -15.60309368
  H     14.60970587      7.80457140    -15.67543006
  O     13.89529309      7.49501467    -16.25336839
  H     20.77387238      8.15680610    -13.81643592
  H     14.02209944      6.54191934    -16.34396043
          69
 Energy    -250.84600615855743     
  O     -2.61369572      0.26623018      3.14967591
  H     -2.87281207      0.30174551      4.08197486
  H     -3.39678228     -3.32781188      4.71458224
  O     -3.20389887      3.20907104      6.06106351
  H     -2.28232151     -0.62141590      2.96364856
  H     -1.59376932     -3.48464946      8.62189251
  O      1.72652327     -0.57199482      2.18218803
  H     -3.76937648      3.88453246      6.42550028
  H     -1.23552213     -3.38318182      7.12000389
  O      3.47648173      1.49044089      2.90056622
  H     -2.93343058      3.51646201      5.17707568
  H     -0.14638887     -0.22106949      6.96873722
  O     -0.32345780     -1.08792193      0.28994512
  H      1.16833444      0.05027186      2.67806697
  H     -1.17529373     -1.10378152      7.72500883
  O     -1.39887225     -2.18439898      2.61666913
  H      1.23512306     -0.77676933      1.37987916
  H     -0.00557305     -3.64164252      5.13896460
  O     -2.86236166      2.28405302      1.34017461
  H      3.08415903      0.66249349      2.59285564
  H     -1.43161761     -4.22480054      5.04929396
  O     -2.38246322      3.97447998      3.60942635
  H      3.05243558      2.17410887      2.36808549
  H     -1.49483866      2.92081529      6.94287764
  O      0.36050406      3.84142694      3.55401611
  H     -0.77042848     -1.51869848      1.03662223
  H     -0.75989091      1.72444559      7.56506910
  O      1.90012756      3.24765175      1.27078428
  H     -0.41087051     -1.67638001     -0.45624494
  H     -3.19203121     -2.52047861      6.77672965
  O      0.94076088     -2.33310589      4.18800468
  H     -0.61740632     -2.21332695      3.18687626
  H     -3.76002247     -1.33800925      5.97018913
  O     -3.05892322     -3.91045708      4.00964615
  H     -2.02183533     -2.83349552      2.96925791
  H     -0.89312292      0.87157428      3.52483032
  O     -1.65507530     -2.91227497      7.86183250
  H     -2.85662548      1.53511295      1.96204801
  H      0.13544916      2.02814773      3.67782546
  O     -0.98565880     -0.19819838      7.45305362
  H     -3.68846382      2.24108769      0.86493568
  H      2.26528157      2.89700695      5.95809780
  O     -0.67154274     -4.13509711      5.63623216
  H     -2.61703291      3.52676022      2.79001816
  H      0.85673559      3.26463614      6.50482548
  O     -0.65384551      2.65398553      7.33182788
  H     -1.41666702      4.05459002      3.59815550
  H      3.55628272      1.49606189      4.65810351
  O     -3.79260369     -2.29987033      6.05344833
  H      0.97367246      3.80975873      2.81161590
  H      4.42355999      1.50410320      5.93785473
  O      0.03187272      1.06842872      3.70797000
  H      0.86348818      3.86662550      4.38466385
  H     -0.27034810      0.85421257      0.23724012
  O      1.58271616      3.57576702      5.94248415
  H      1.16494058      2.72388573      0.90595405
  H     -1.11738967      2.07946228      0.61478709
  O      3.52281337      1.45029356      5.63025345
  H      2.20179487      3.81835162      0.56861103
  H     -3.31242804      1.38027800      5.94669086
  O     -0.23666350      1.81360555      0.32168252
  H      1.05433912     -1.68916922      4.90247029
  H     -2.38570272      0.21924236      6.38379896
  O     -3.15508209      0.43370860      5.83524000
  H      1.40507922     -1.93993266      3.43732720
  H      2.08866961      0.29950523      5.93183382
  O      1.23509218     -0.14148662      5.84823190
  H     -3.72759316     -4.57144838      3.85375368
  H      0.75788282      0.34281960      5.15439156
          69
 Energy    -250.84560380416428     
  O     11.67388406     10.33984214    -15.01528192
  H     12.28193978     11.07495149    -15.13644555
  H     19.37338039      7.45913203    -14.69125231
  O     16.23255623      6.60771169    -12.47981031
  H     11.88628117      9.71297522    -15.72330192
  H     14.52385251      8.00037237    -14.66194150
  O     17.42871057     10.85168803    -12.18266916
  H     17.02020098      7.09295611    -12.19730871
  H     15.63483287      7.94364773    -13.59461536
  O     16.91378015      9.40393204    -16.19234057
  H     15.52562342      6.79018226    -11.84431380
  H     11.21397358      9.64117612    -13.52295833
  O     13.57897106      6.58597088    -15.34648138
  H     17.40450511     11.13375080    -11.25950573
  H     10.06644561      9.33440195    -12.53061687
  O     14.70295696     10.44291715     -8.86484787
  H     16.54495641     11.00464118    -12.54496108
  H     17.74971484      9.54828680     -9.12107510
  O     14.19218134      7.35648607    -10.80133480
  H     17.62274602      9.89229723    -15.74805709
  H     18.12467266      8.33732619     -9.99069453
  O     14.86854283     11.04031571    -13.25972458
  H     16.32519162      9.07974195    -15.49319868
  H     12.92679421      6.74057852    -12.12842947
  O     15.39113649      7.70373185     -8.29212708
  H     14.33476435      5.99091997    -15.28327318
  H     11.80054074      7.49976104    -12.84429794
  O     18.14156369      6.86782237    -15.78615294
  H     13.07832743      6.51573507    -14.51685217
  H     19.39605192      9.71623311    -14.42516731
  O     16.02221251      5.17077863    -14.79620118
  H     14.82142280      9.54221835     -8.53999961
  H     18.47007373     10.76657607    -13.77759606
  O     19.99072706      7.88893238    -14.07261625
  H     14.10995188     10.37482957     -9.62584102
  H     18.01371157      9.13611514    -11.98588935
  O     15.20540179      8.53030821    -14.22924629
  H     13.91005916      8.26596030    -10.97568057
  H     19.01264545      8.07355247    -12.52388241
  O     11.00370302      9.22568711    -12.66631811
  H     14.53291839      7.34818645     -9.89818508
  H     17.39945600     12.11821707     -8.87801511
  O     17.82605336      8.58609333     -9.10600296
  H     14.54542246     11.58257161    -13.98757617
  H     16.27039551     11.11590181     -9.21851490
  O     12.34917943      6.70705300    -12.90031023
  H     14.93350256     10.13543133    -13.60800328
  H     15.06808521     10.59987370    -18.51360238
  O     18.87314906     10.50457362    -14.61577957
  H     16.29820309      7.94691343     -8.55189516
  H     15.66553327     10.12664958    -17.16780213
  O     18.34812685      8.23802138    -11.84317684
  H     15.45758892      7.22952642     -7.46799837
  H     12.43390727      9.77963259    -11.63674862
  O     17.18738131     11.36959574     -9.42885972
  H     17.71765800      7.66954982    -16.11908413
  H     13.80850985     10.44812571    -11.90250422
  O     14.87310609     10.50808228    -17.58427545
  H     17.43304601      6.25458562    -15.56020219
  H     14.18304633     11.65358500    -16.33225543
  O     13.28849945      9.98059303    -11.23431986
  H     16.11513542      4.22981219    -14.66738924
  H     13.74620170     13.08516697    -15.95460703
  O     13.82582815     12.19787274    -15.61253340
  H     16.11022427      5.58298811    -13.91876243
  H     13.44043141      9.15391250    -17.25255893
  O     12.65558349      8.66954570    -16.97575602
  H     20.86166179      7.56174989    -14.28018024
  H     12.95905723      7.85755362    -16.54580680
          69
 Energy    -250.84538568201509     
  O      2.54918944     -0.93705007      7.13793051
  H      2.19520559     -0.03862150      7.20236897
  H      3.73319276      5.22348400      4.60756442
  O      1.39232758     -2.92164870      1.78154833
  H      3.40566210     -0.87600663      6.69114895
  H      1.42892636      2.01148794      3.78342714
  O     -1.39456566     -1.17719385      5.87781639
  H      0.74874058     -2.22803557      1.59278573
  H      2.06992952      3.31341920      4.36128064
  O      2.89213974     -5.02302002      5.74207946
  H      1.04816843     -3.42460838      2.53104597
  H      5.24561655      1.61555735      3.42022616
  O      4.83224784     -0.70469413      5.59685073
  H     -0.52416761     -1.10017675      5.45717755
  H      4.98030057      3.04500181      3.96094195
  O      4.61911258     -3.32223269      4.60315759
  H     -1.45538667     -2.09345682      6.17163028
  H     -0.55197806      2.67258844      4.53297506
  O      1.43784732     -3.46693758      7.64605391
  H      3.30777173     -5.87285379      5.85770622
  H     -1.53534876      2.14475563      5.58385003
  O     -1.32452971      1.17681212      7.30199218
  H      3.56368894     -4.43209838      5.35460293
  H      3.07444251      2.61307853      7.23034496
  O     -1.01157981     -3.86909503      6.56571803
  H      4.60804820     -0.40744034      4.70308419
  H      4.61364724      2.55639701      7.01344875
  O      4.29198065      0.06596266      2.94883030
  H      5.38878369     -0.01697767      5.98222756
  H      1.10061913     -2.23851643      4.54539888
  O      6.19131552      1.58698218      6.42878789
  H      4.81004760     -2.48051838      5.03669131
  H      1.66344855     -1.22984970      5.59647717
  O      3.65359948      4.27343112      4.58888719
  H      4.48246033     -3.12121684      3.66913035
  H      4.46704194     -2.95132270      1.13866873
  O      1.31717485      2.71609727      4.43809508
  H      2.01515520     -4.02979848      7.11458015
  H      3.11833235     -2.66895406      1.83882995
  O      5.65419339      2.35763368      3.88588598
  H      1.83203441     -2.58436009      7.62713271
  H     -2.01036203     -0.52950872      4.14634106
  O     -1.47501217      2.41551623      4.66083102
  H     -1.98762794      1.20891076      7.98681002
  H     -1.87039817      0.91727784      3.67274636
  O      3.85606714      3.15269635      7.05559192
  H     -1.41978343      0.31630161      6.85951505
  H     -0.87463130     -0.57725537      0.47257441
  O      1.14837638     -1.30427330      4.78224990
  H     -0.17088040     -3.71837386      7.03714866
  H     -1.01538780     -0.49247054      2.00904240
  O      4.08213682     -2.55145916      1.91419968
  H     -1.48589919     -4.53717418      7.05256855
  H      1.45331472     -4.48174950      4.70397395
  O     -1.98875729      0.01162688      3.34977296
  H      3.36496840      0.32480539      2.84324437
  H     -0.02000797     -4.07265190      4.91637805
  O     -0.40325892     -0.72721529      1.28745912
  H      4.36812827     -0.79168832      2.51320045
  H      1.42941830      1.96958174      6.09948335
  O      0.70112892     -4.04971095      4.27557105
  H      6.09925400      1.89881947      5.50915507
  H      0.53325671      1.52461770      7.27061902
  O      1.45519246      1.61212426      6.99981465
  H      7.08254290      1.78683434      6.70177025
  H      0.97640421      0.26151398      2.11643807
  O      1.58838637      0.52077417      2.81356945
  H      3.73567575      3.96442296      5.51006307
  H      1.44202288     -0.11822082      3.53132133
          69
 Energy    -250.84463038615417     
  O     13.04333538      9.49058152    -16.46843868
  H     12.92195674      9.37858925    -15.50778590
  H     16.65315643      4.19456949    -15.52272366
  O     16.58456068      5.84555928    -12.93138447
  H     12.23517921      9.86951460    -16.80365257
  H     18.36234780      9.45759333    -17.23204461
  O     18.91853375      9.87879057    -13.34969605
  H     16.49717568      5.00417336    -13.39362449
  H     16.87801088      9.84944198    -17.41492034
  O     19.83283555      9.62132189    -15.96298306
  H     16.40007861      6.52513135    -13.60099669
  H     17.20778853      7.46097050    -15.31327138
  O     13.67947422      5.17160923    -14.87803222
  H     17.99352494     10.09617388    -13.54960915
  H     15.66701527      7.44189491    -15.59465147
  O     16.31085424     10.61597984     -9.81797288
  H     18.94821817      8.94268006    -13.10301365
  H     13.28960748      9.50305378    -13.13463290
  O     14.81227774      7.03150504    -11.20494563
  H     19.57232473      9.82933770    -15.05104974
  H     12.59601888      8.17755359    -13.48952604
  O     16.29474365     10.21633932    -13.96545561
  H     20.64004190     10.10035544    -16.13366850
  H     19.12792133      9.02958551    -10.13117501
  O     17.54176609      5.05983700    -16.75220293
  H     14.46055717      4.60810787    -14.83781018
  H     18.17168033      7.92318959     -9.65255275
  O     16.35394857      7.83910874     -9.05372050
  H     13.82194421      5.76930281    -15.62523788
  H     12.95214278      5.93186306    -13.50956002
  O     19.08863584      6.94930213    -15.42446195
  H     16.34157693      9.73644927     -9.42026601
  H     11.71995736      5.99385488    -12.57617405
  O     16.17613854      3.77022653    -14.78684542
  H     17.21150931     10.80208754    -10.10914485
  H     19.16016342      7.38681239    -11.69696725
  O     17.57294087      9.25807326    -17.74365179
  H     13.96060990      6.79726520    -11.59480532
  H     18.21274768      6.62736929    -12.65238470
  O     16.34109273      7.66725222    -14.94164766
  H     15.47771398      6.56472494    -11.73231754
  H     19.65053906     11.57421011    -10.63821801
  O     12.75219260      9.07303684    -13.81197574
  H     15.69765441     10.20356371    -13.20690300
  H     19.04889061     10.61744739    -11.69046374
  O     19.04200421      8.07244496    -10.04272701
  H     16.26343115      9.32363136    -14.34674470
  H     16.56297138      6.92819371    -19.58100194
  O     12.55653661      6.41288479    -12.75981385
  H     17.17405260      5.59750945    -17.46290639
  H     16.91637898      7.79128428    -18.34635199
  O     19.02040201      7.15916556    -12.62798295
  H     18.22654237      5.60550736    -16.33986603
  H     15.09825281     10.25288149    -11.11109525
  O     19.02862473     10.85949124    -10.75079192
  H     15.76443751      7.51089281     -9.75200357
  H     14.68170939      8.86343242    -11.63527143
  O     16.48448176      6.96464621    -18.63175270
  H     16.05671198      7.44219733     -8.23835147
  H     15.83287527     10.81575786    -15.68202573
  O     14.60248288      9.80973891    -11.81471303
  H     19.46737342      7.78136706    -15.73221316
  H     14.69392403     10.44829364    -16.64216557
  O     15.58799930     10.80876077    -16.61727620
  H     19.23140209      6.91685968    -14.46824635
  H     13.87923801      7.89246878    -16.83504664
  O     14.35777224      7.05256490    -16.82026346
  H     16.34599348      2.83473957    -14.85555597
  H     14.96971504      7.02932802    -17.56722478
          69
 Energy    -250.84349305938457     
  O     -1.79263216      4.93989420      4.20943808
  H     -1.63102169      4.21035824      4.83617295
  H     -0.61296549      1.34446440      3.29902585
  O     -2.70546084      3.32305221      2.08794602
  H     -2.17383041      5.65465941      4.71160070
  H     -2.40852130     -1.01718459      1.97733780
  O     -1.08858054      2.89272837      5.84388791
  H     -1.94686350      2.72525614      2.16937638
  H     -3.50494377     -0.24293422      2.71565045
  O      1.49369244     -3.65109499      1.78035424
  H     -2.57133284      3.99360169      2.76663316
  H     -0.31001276     -0.20014333      4.67129097
  O      0.29427891      0.47300048      0.26667409
  H     -1.20509610      1.97271181      5.57129544
  H     -1.77543806     -0.13618923      4.14826983
  O     -1.85528973     -1.20881703      0.18121697
  H     -0.13845647      3.01900573      5.96039665
  H      0.99188773     -3.84634456      3.44511408
  O     -4.47007516      1.11554387      1.98611872
  H      0.70684734     -3.72667931      1.22681766
  H      0.95626184     -4.57398319      4.81304053
  O     -3.74718513      0.54659563     -0.76455247
  H      1.84717638     -2.76179538      1.64189122
  H     -1.41019413     -4.68229746      0.15602189
  O      0.46931447      2.89232323     -1.12458435
  H      0.44738812      1.16354555     -0.38745880
  H     -1.45873495     -3.85014473      1.46165483
  O      2.19566608     -0.92188898      1.67517547
  H      0.04731020      0.94151644      1.08233437
  H      2.15602913      2.57753297      5.46503576
  O     -1.96404918     -3.58412344      3.10229093
  H     -1.05824405     -0.65913523      0.14074776
  H      2.28118161      3.74554159      6.47225584
  O     -0.38540684      1.84171217      2.50245447
  H     -1.58049192     -2.13344924      0.18075113
  H      3.28672580      2.05985037      1.69540591
  O     -2.80093570     -0.89384520      2.85156930
  H     -4.40779711      0.94316191      1.03897237
  H      4.72703996      1.52410088      1.86016238
  O     -1.12189560      0.32578130      4.69293842
  H     -4.00290122      1.95143436      2.11791291
  H      1.06170155     -2.01800918      4.49300487
  O      0.62253903     -3.81223170      4.34698257
  H     -3.11547474     -0.13645080     -0.48329847
  H      1.51653125     -1.02858871      3.39320774
  O     -1.09541678     -3.87630971      0.55668819
  H     -4.29671213      0.15134440     -1.43675849
  H      3.23912840      1.25445920      3.88924814
  O      1.72851562      3.39506391      5.77936796
  H     -0.48910232      2.97464344     -0.96832189
  H      2.33255044      0.35558292      4.75973509
  O      3.81864204      1.34562950      2.08934270
  H      0.63208754      3.23454102     -1.99938262
  H     -0.03780747      4.67617848      3.47299212
  O      1.23609268     -1.08524529      4.31796787
  H      2.88216201     -0.25464790      1.79710368
  H      1.22213321      4.06690346      4.12628809
  O      2.84160817      1.17642575      4.76510022
  H      1.53796919     -0.50961300      1.09665633
  H     -2.44098940      3.26291576      0.24513044
  O      0.82071073      4.28242902      3.27300926
  H     -1.19060121     -3.62206777      3.67775223
  H     -2.73628923      2.17398931     -0.79675675
  O     -2.19851812      2.95943329     -0.64008647
  H     -2.35243801     -2.70448540      3.19934109
  H      1.68725956      3.26994560      0.32766822
  O      2.30204396      3.35773485      1.06533358
  H      0.12496510      2.61571367      2.76992003
  H      1.83582036      3.84170632      1.76007880
          69
 Energy    -250.84345401709010     
  O     16.93468140      7.62316220    -14.88861487
  H     17.08622887      8.19756683    -15.66044517
  H     15.39542900      8.49663749    -14.14761024
  O     15.21454575     11.47627242    -15.06446438
  H     16.85422955      6.73314117    -15.22223485
  H     16.79952314      9.94647113    -17.35367092
  O     20.26151301     11.93988564    -11.18354834
  H     15.36280463     11.55100399    -16.01414795
  H     18.16098967      9.87088543    -16.67302292
  O     20.16101283     13.74137207    -13.33171420
  H     16.08296080     11.33661253    -14.65605630
  H     16.94043724     12.06528650    -10.67896274
  O     14.77664079      9.79082665    -11.20105825
  H     20.18190200     12.65043615    -11.83382025
  H     15.69661733     11.41367296    -11.32232486
  O     18.24768555     11.47773415     -9.47984297
  H     20.64815643     11.19030187    -11.65024590
  H     19.69662209     16.15182866    -16.66262831
  O     18.68485627      8.67160242    -12.94117904
  H     20.66914987     14.55248284    -13.46060976
  H     18.78925037     16.03073708    -15.42476343
  O     15.94481832     11.67952381    -17.79668632
  H     20.61301820     13.05738162    -13.84590147
  H     20.74283909     11.50138969    -15.31277102
  O     17.95839456     13.48358825    -17.25235113
  H     14.70240041      9.48679260    -12.12342368
  H     21.58542474     11.02413701    -14.11099579
  O     21.58417916     16.01582191    -14.19267990
  H     13.93178716      9.62976658    -10.79010768
  H     16.47846901      9.12456733    -10.70482823
  O     19.12656032     11.29827376    -15.97342796
  H     18.47364929     11.78222686     -8.60567544
  H     17.74527566      9.73775724    -10.08685853
  O     14.68833025      9.04621404    -13.79077577
  H     19.01605609     11.66282524    -10.05096755
  H     20.96759140     14.52642452    -17.42818198
  O     17.41278421      9.32335168    -16.94929942
  H     18.25179454      8.65921318    -12.07173880
  H     20.69496886     15.09640328    -18.83902180
  O     16.30576698     12.16086383    -11.39982155
  H     18.12889612      8.19517907    -13.56969538
  H     18.55290788     14.21702625    -14.18673896
  O     19.48557977     16.57418879    -15.82163012
  H     16.63268334     12.35848569    -17.69236252
  H     17.00454535     14.42324585    -14.28008676
  O     21.51846340     11.72225676    -14.77220581
  H     15.41425393     11.94155224    -18.54490004
  H     22.13019393     14.72815579    -15.52442918
  O     17.41770495      8.95818477    -10.55310546
  H     17.82662823     13.88521635    -16.37862889
  H     22.10220236     13.20632952    -15.77641850
  O     20.26817183     14.85494653    -18.02139728
  H     18.70311015     13.94336333    -17.65999122
  H     21.81147465      9.06130598    -12.44505461
  O     17.84421468     14.57898219    -14.73478404
  H     22.00405960     16.78655213    -13.82169371
  H     20.34582583      9.30312475    -12.86560954
  O     22.14899072     14.06179996    -16.22274415
  H     20.85058217     16.33299180    -14.75016376
  H     17.28261352     11.60810124    -12.90060342
  O     21.21133015      9.73316334    -12.75971257
  H     18.62746071     11.31817791    -15.14102996
  H     17.96776737     10.30426621    -13.38249099
  O     17.63925912     11.16263284    -13.67892732
  H     18.81362139     12.04551485    -16.49860654
  H     15.18302655     13.13636315    -14.07842182
  O     15.49629460     13.84994888    -13.50753405
  H     14.70494101      9.86834220    -14.30081187
  H     15.69612946     13.42905883    -12.66066422
          69
 Energy    -250.84269383573718     
  O     11.87432404     11.14199281    -14.74837028
  H     12.18149142     10.89286863    -15.62824316
  H     15.87319353     11.88889430    -16.29892883
  O     16.47707723      6.95954265    -13.48749864
  H     12.42105397     11.89017927    -14.48151223
  H     16.24309469      9.93082879    -14.86072364
  O     17.39312782     10.80118419    -11.47822628
  H     15.69628580      6.81736297    -12.93302745
  H     15.97572502      8.61783725    -14.04155126
  O     17.41451706     10.92916752    -15.83028728
  H     17.19119314      7.25881445    -12.91049006
  H     11.35664770      9.95136021    -13.59830002
  O     14.30405616      8.98631058     -8.64213493
  H     17.32822681     10.56021514    -10.54178152
  H     10.15192530      9.32787627    -12.85524723
  O     14.24974748      6.84380847    -11.86888576
  H     16.49864567     11.02012280    -11.77310517
  H     18.33353904      7.43595339    -10.34351148
  O     14.82830750     11.23330629    -12.45072786
  H     17.86931039     10.18281853    -16.24415417
  H     18.93718338      6.68820232     -9.13364642
  O     15.38035199      6.42153819     -9.39683804
  H     17.97830152     11.25291160    -15.11515507
  H     13.01025990      6.70939347    -13.33264234
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  H     13.85766759      9.15473218     -9.48868766
  H     11.88388759      7.68553286    -13.70431264
  O     16.50855951      6.89557380    -16.26781732
  H     13.67642483      9.19702378     -7.95528787
  H     18.45433112     11.36506469    -12.79183439
  O     19.88583490      8.91016491    -14.14250359
  H     13.92572427      7.73358417    -11.67860548
  H     19.50865082     12.34840337    -13.34631199
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  H     14.61311125      6.51487982    -11.03375778
  H     19.04669891      8.32426267    -12.67790959
  O     15.59168364      9.45850058    -14.32611224
  H     14.47370701     12.00778925    -12.90221020
  H     18.01357294      9.06387049    -11.78736948
  O     11.10015314      9.27772805    -12.94315768
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  H     17.47629798      8.89497113     -8.96786255
  O     18.15642903      7.14759181     -9.43206341
  H     15.00051391      7.21729489     -9.00350138
  H     16.10695444      9.57419785     -8.79977162
  O     12.42334207      6.96664401    -14.05539509
  H     16.33606273      6.55440368     -9.37827743
  H     13.32633375      7.60518509    -15.47927026
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  H     19.08014087      8.28051225    -17.48035631
  H     14.46622798      8.64165646    -15.46785574
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  H     12.42562116      9.36161009    -11.66214719
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  H     16.55587392      6.71124442    -15.31803328
  H     13.78047124     10.10676189    -11.53518316
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  H     15.59889073      7.17517309    -16.42375720
  H     14.25818088     12.95177544    -14.94911378
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  H     13.65003719     14.14359325    -14.16940310
  O     13.77723279     13.19964119    -14.13794217
  H     19.73626997      9.85422694    -14.00586198
  H     12.65974668     10.26313314    -18.10236065
  O     13.06478957     10.39667568    -17.24948050
  H     14.41362773     11.66525797    -16.77801539
  H     13.33389764      9.51937218    -16.92561336
          69
 Energy    -250.84243701126337     
  O      1.17719216      0.74301737      5.05295274
  H      1.80137398      0.82340493      5.77031287
  H     -5.27653508     -0.69652255      3.02635931
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  H     -1.54496284      1.57390017      2.23698324
  O     -0.60245066     -1.21378627      5.71188868
  H      0.41317193     -0.28261233     -2.34483703
  H     -0.68158740      2.45354963      1.32169246
  O     -0.96305303     -0.13419736     -1.02999749
  H      1.81400117      0.35495077     -2.45602936
  H     -3.22385730      0.87312059      5.35821538
  O      2.34620376     -2.54396909     -1.42434852
  H     -1.47971140     -0.80199401      5.68530217
  H     -3.83793821     -0.46410164      4.81658252
  O      3.55391374     -0.47476635      0.20448568
  H     -0.72499275     -2.09127034      5.33678669
  H     -2.22830538     -0.13581212      3.52701119
  O     -4.10521513      2.66607923      2.69640800
  H     -0.45990012      0.51723200     -0.52083347
  H     -1.12621348     -0.80178704      2.63788708
  O     -3.66555562     -3.69920268      2.97849347
  H     -1.87194026     -0.11632657     -0.70436855
  H      0.66637523     -2.84188537     -0.64771410
  O     -0.71176715      2.87457809      4.65818397
  H      2.84728946     -3.11627655     -1.99950248
  H     -0.49152563     -1.82315158     -0.56245367
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  H      1.99883667     -1.82216017     -1.98004459
  H      1.71729734      0.39811525      3.27515511
  O     -5.59692059      0.64215257      1.68258340
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  H      1.30718757     -0.77971101      2.37639399
  O     -5.04027982     -1.25454120      3.77790777
  H      3.19938567     -1.26994376     -0.21149256
  H     -3.49776763      3.33252352      6.14859271
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  H     -2.34637432      2.83546253      5.23975673
  O     -3.04079122     -0.05899185      5.19018526
  H     -3.22807002      2.76437039      2.30222783
  H      1.40434910      1.80416080     -0.27055873
  O     -1.83233169     -0.14508662      2.64641466
  H     -4.31781648     -4.39570768      2.96529667
  H      1.07976164      1.13268225      1.08902733
  O     -0.21106362     -2.70483806     -0.27131482
  H     -3.39298306     -3.55469013      2.05385770
  H     -2.09231719     -3.67968263      3.89007169
  O      1.81270197      0.04742313      2.38190318
  H     -0.04790066      2.19514110      4.82184062
  H     -1.06510574     -4.55530486      4.63960743
  O     -3.29295572      2.72297361      5.44526578
  H     -0.84780308      2.89107137      3.70019013
  H     -0.21164272     -2.77060070      3.00024807
  O      0.69556513      1.64794534      0.36429098
  H      3.60249973      2.15054673     -1.65828979
  H      0.01429473     -2.43093716      1.48479308
  O     -1.20359997     -3.68208538      4.28025335
  H      3.22348446      0.88084605     -0.85493693
  H     -1.99859944     -3.23549469      0.12784037
  O      0.15360885     -2.11973170      2.39049345
  H     -5.09786240      1.39654542      2.04592346
  H     -3.18155152     -2.26821514      0.31563499
  O     -2.90469652     -3.18527506      0.45493103
  H     -6.45696119      0.97485852      1.44102501
  H     -4.22142992     -0.06463821      0.61564730
  O     -3.36289699     -0.43325305      0.38004691
  H     -4.61852467     -2.04705483      3.42662476
  H     -2.82485593     -0.35743402      1.18476552
          69
 Energy    -250.84197705569042     
  O     12.31603929     11.16853232    -10.77259190
  H     13.11569151     11.40423786    -11.25986310
  H     17.11657629      7.34268710    -17.38059145
  O     13.27500498      8.13587622    -15.31693702
  H     11.61165919     11.11601947    -11.43100854
  H     15.80401708     12.38477323    -15.01698071
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  H     13.37653015      7.86836615    -16.23796563
  H     16.77191394     13.41067841    -14.37178523
  O     17.99967026      9.02068767    -17.35964584
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  H     16.42853706      9.04833110    -14.64908871
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  H     15.75775751      8.66966575    -13.31907732
  O     15.88464173      5.25464341    -11.16042599
  H     15.39551735     10.08526049    -11.82782089
  H     12.21905687      9.69765601     -9.84177909
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  H     18.06514246      9.44497043    -16.48716290
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  H     19.03475444      5.45958151    -12.59687764
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  H     11.26174202      7.44783355    -12.26263350
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  H     17.70583303      9.15185388    -12.02451276
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  H     18.59052096      7.98610818    -12.47684331
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  H     13.19767899      5.76589378    -13.20779950
  H     16.21437464      6.76473565    -14.51514483
  O     12.10761117      8.82051527     -9.43207001
  H     16.25541149      9.72722689    -17.79686767
  H     15.78682501      5.28312278    -14.31093998
  O     18.30466014      6.07251156    -12.54360611
  H     14.81506499      9.21696625    -17.96649764
  H     14.80422032     11.35161786    -16.78632002
  O     10.66236537      8.04798620    -11.79997397
  H     14.97214690      4.59482075    -12.48480945
  H     13.77773191     11.65635046    -15.66429643
  O     18.53249158      8.94856558    -12.48598249
  H     14.28969206      3.44238121    -13.26498673
  H     13.61721480      7.15352952    -11.56562637
  O     16.49973881      5.84519257    -14.63880103
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  H     13.45790668      7.81464397    -10.17217673
  O     14.56000808     12.00196042    -16.11108060
  H     18.26440641      9.76724270    -14.05433689
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  H     14.89926890      7.06498768    -17.76455946
  H      9.46640334     10.78428138    -12.90149209
  O     10.38675426     10.55390700    -12.80888916
  H     16.60743721      6.18942697    -16.48317412
  H     10.41755419      9.63099220    -12.49878352
          69
 Energy    -250.84134525516532     
  O     15.32047995     10.00026756    -13.75258995
  H     15.88866147      9.95731140    -14.53196678
  H     20.23477954     10.93358692     -9.89949932
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  H     15.06987249     10.93019395    -13.67436428
  H     21.25704120     16.51578972    -14.41732286
  O     20.00638408      9.11896825    -15.25501090
  H     15.30780678     15.13824214    -16.14556450
  H     19.81988712     16.56019306    -13.86901289
  O     20.81136148     13.95320551    -10.61927996
  H     16.42666267     14.06734834    -16.10094875
  H     21.77005566     12.75939100    -11.58311781
  O     15.97934294     13.61102144    -10.78888579
  H     20.37898375      9.98005554    -14.99871138
  H     22.15595399     11.26431988    -11.64971642
  O     21.47579353      9.76485416    -10.77031836
  H     20.62453026      8.72004548    -15.86237340
  H     16.44914930      9.65762237    -12.37308110
  O     16.94454276     11.23411392     -9.48987656
  H     21.31270340     14.76714704    -10.74575284
  H     16.98187027     10.08546964    -10.95288221
  O     17.51892793     10.47147409    -15.55575047
  H     19.94488424     14.10575966    -11.02974693
  H     18.45175490     13.26174247    -16.69248993
  O     20.05471131     13.82579315    -15.85467159
  H     15.55570017     13.35320095    -11.61825879
  H     17.48600458     12.05754895    -16.59657962
  O     22.17827668     16.25598994    -11.48394416
  H     16.18924248     12.79545199    -10.31633882
  H     22.77690540     15.01280523    -14.81066628
  O     20.67349292     11.60714067    -14.29226889
  H     21.94438651      9.08956426    -10.28698831
  H     23.02889634     15.73769867    -16.15511962
  O     19.62915570     11.60657521     -9.56729662
  H     20.86646881      9.30511510    -11.37550414
  H     18.92017545     14.87187411    -14.84654609
  O     20.71819923     16.86819456    -13.69769112
  H     16.68113745     11.02329584     -8.59766098
  H     17.45683917     15.35428277    -14.70380444
  O     22.26877462     12.10963114    -12.10211236
  H     17.90686261     11.38850418     -9.46892441
  H     23.14035912     15.04657050    -12.62393980
  O     17.22033260      9.65972666    -11.78590696
  H     17.68778928     11.00855150    -14.76835114
  H     23.19224277     13.54032452    -12.93937992
  O     17.54372450     12.98217908    -16.86897988
  H     18.26657669      9.86413020    -15.61061975
  H     19.76041177      8.62000934    -13.39158609
  O     22.33836214     15.42311892    -15.57801309
  H     20.83737493     14.38844605    -15.91015591
  H     18.79837358      8.82270097    -12.19152645
  O     18.33829176     15.44321444    -14.32332547
  H     20.32712896     13.03345712    -15.37146624
  H     18.30638142     12.65316279    -12.61916483
  O     23.40914131     14.40965567    -13.29859980
  H     22.49004035     17.05171313    -11.06142801
  H     17.92773764     11.11993034    -12.58872123
  O     19.70576332      8.58595024    -12.43071766
  H     21.60665364     16.53507871    -12.22176642
  H     16.36034978     12.52853193    -13.39203414
  O     18.16518734     11.86386033    -13.16083353
  H     19.80834726     11.67217722    -13.86083500
  H     15.44159789     13.49180438    -14.15968960
  O     15.44292531     12.82322698    -13.46338657
  H     21.32914544     11.77448627    -13.60236904
  H     17.54180796     14.19585707    -11.40029298
  O     18.40589652     14.25627985    -11.83469061
  H     20.05201267     12.45499018     -9.75026303
  H     18.32359354     14.77502272    -12.64618612
          69
 Energy    -250.84034750578894     
  O     12.57623264     11.30172601    -13.90422341
  H     12.50065251     12.23597543    -13.72455994
  H     15.77561335      6.10376680    -16.61681183
  O     14.32662857      6.08360279    -17.81223860
  H     13.09884085     10.92059325    -13.17786264
  H     14.59288065      7.41111532    -10.12391639
  O     13.69625324      5.40218179    -12.34353290
  H     13.76894987      6.87650201    -17.82700505
  H     14.72083120      6.26205501    -11.14861001
  O     17.77420723      5.65878496    -10.78870597
  H     14.39212692      5.78080263    -18.71573548
  H     14.26878820      7.98105676    -14.28251686
  O     13.27678059      4.08394133    -15.95533393
  H     12.80267164      5.10988650    -12.12830397
  H     13.38357392      8.41708303    -13.10230865
  O     10.50391017      9.33531619    -13.39635566
  H     13.59314484      6.19134551    -12.89918251
  H     13.40945273     10.59743621    -15.47664638
  O     12.73176018      8.37649925    -17.82355229
  H     18.29369393      6.38577433    -11.15305119
  H     14.67552407      9.77300692    -15.81360119
  O     19.08052032      7.73021819    -12.31649871
  H     16.91104118      6.03105877    -10.56414830
  H     10.88570583      4.92831225    -12.99809500
  O     11.28208602      7.60488878    -15.47286487
  H     13.57473657      4.72878355    -16.60608773
  H     10.35832350      4.32523498    -11.67389484
  O     17.84276209      3.73911913    -12.70925633
  H     14.02461078      3.94783414    -15.36002822
  H     10.83107601      8.29179337    -11.93967355
  O     18.74452260      5.93259267    -14.32227972
  H     10.56150240      8.76741167    -14.17663203
  H     10.99777819      6.81145803    -11.48829967
  O     16.37228573      6.11322096    -15.85897220
  H     11.08078870     10.08369247    -13.58569710
  H     14.82622297      4.53651267    -13.43003999
  O     15.23574103      6.86506431    -10.59190998
  H     12.31363187      8.82431814    -18.55427074
  H     16.22922989      3.90023547    -13.62848451
  O     13.48566605      7.73350157    -13.77421786
  H     13.15245753      9.06556233    -17.27635694
  H     11.70276462      4.53239374    -15.13784953
  O     13.88878351     10.18094470    -16.20259835
  H     19.97752982      8.05210015    -12.30062498
  H     10.88486415      5.83382949    -15.04343358
  O     10.95660317      4.97775027    -12.02608494
  H     19.00776910      7.13571991    -13.08516575
  H     12.38946452      8.22896164    -10.18984250
  O     11.14137226      7.72531220    -11.21852929
  H     12.04911075      7.61941006    -14.87805689
  H     12.83461135      8.82810632     -8.83119496
  O     15.43501871      4.18458328    -14.09627248
  H     11.62006007      7.84418125    -16.34151281
  H     16.13909435      7.80313262    -15.28589439
  O     10.93455231      4.93097829    -14.70434816
  H     18.28767092      2.95778589    -12.39240398
  H     16.17160365      8.73116774    -14.03062915
  O     13.15744489      8.56388466     -9.68780796
  H     17.80100895      4.36256888    -11.96205583
  H     14.91044007      9.73695603    -12.05996450
  O     15.84517591      8.65653602    -14.93733653
  H     18.54391492      5.10573158    -13.86539105
  H     13.67708244      9.61758666    -11.12494828
  O     13.97532994      9.96707744    -11.97450938
  H     18.05736263      6.03531437    -14.99258152
  H     17.43934157      8.56503442    -12.22212121
  O     16.49582933      8.76962403    -12.22028720
  H     16.03466294      5.44911595    -15.23862219
  H     16.07243081      8.07988753    -11.68802879
          69
 Energy    -250.84012363389678     
  O     13.10814464      6.11631300    -16.04336690
  H     13.91495594      5.64480298    -16.28367369
  H     13.98651380     12.02481558    -12.79004923
  O     17.21195328      6.70722932    -12.71837669
  H     13.37291322      7.03338667    -15.88860349
  H     15.73814135      8.91346271    -10.74724686
  O     15.49585050      8.92379210     -8.95376249
  H     17.09815294      6.79673021    -13.67362456
  H     16.58935138      9.47333489    -11.92822352
  O     15.60343961      4.69634301    -16.26139531
  H     16.70952259      7.43793850    -12.32437241
  H     11.21163879      4.43481461    -14.13810144
  O     13.82910291      6.74627168     -9.04471906
  H     16.32303886      8.49173793     -8.71134215
  H     12.36908619      5.29630625    -14.69736474
  O     15.51304354      4.89152496    -11.62086788
  H     14.80633656      8.24205962     -8.91534575
  H     18.29532159      7.11655479     -7.80342258
  O     13.33551526      8.87143807    -12.66166356
  H     15.33414435      4.23274635    -15.44853377
  H     17.25652371      6.43140959     -8.71621429
  O     16.16616656      4.98041561     -8.98842341
  H     15.89769791      4.02800651    -16.87427384
  H     13.73357058      3.81522333    -13.93620421
  O     15.31097487     11.13354189    -15.68333209
  H     14.50103281      6.06902665     -8.90736463
  H     15.04824316      3.84986538    -13.14116736
  O     16.57401380      7.18454894    -15.36706837
  H     13.43178787      6.55737386     -9.90518156
  H     17.37084601     13.25304354    -11.13213671
  O     18.15860035     10.36390131    -12.25787494
  H     16.18746235      5.44937419    -12.03867105
  H     17.37103562     11.78786018    -11.62411577
  O     14.76103654     12.28382975    -13.30304472
  H     14.67604144      5.37721059    -11.66542745
  H     18.71830458      7.80618517    -10.20931417
  O     15.85856002      8.88289773    -11.70558869
  H     12.93293910      9.67783383    -12.31943732
  H     18.63952261      7.44798786    -11.69867096
  O     12.07136245      4.78575242    -13.92244671
  H     14.26317121      8.89564539    -12.37204051
  H     15.42388452     11.86642385    -10.14449462
  O     17.76381333      7.24827076     -8.58585582
  H     15.97692576      4.86700695     -9.93646255
  H     14.93335706     10.66251284     -9.30410735
  O     14.66173526      3.55181639    -13.97407269
  H     16.15868399      4.10789049     -8.60289441
  H     14.47446268      9.47907660    -15.54484121
  O     16.79989600     12.50971039    -11.30865858
  H     15.23389221     11.79369104    -16.36686213
  H     13.78044174      8.69553620    -14.40360824
  O     19.08050471      8.03809177    -11.07168767
  H     15.10124996     11.57509779    -14.84059322
  H     13.09098709      7.17518864    -12.06859154
  O     14.64898569     11.49487729     -9.70464896
  H     16.37021113      6.32779295    -15.76144284
  H     12.62759036      5.73936458    -12.42332243
  O     14.14650444      8.60633931    -15.29512260
  H     15.73397771      7.66400936    -15.31834311
  H     13.32894575     11.40736127    -10.83365324
  O     13.07951679      6.26169525    -11.74886849
  H     18.11524191     10.18308790    -13.21013822
  H     11.90089577     11.82613963    -11.25691895
  O     12.67882551     11.36557707    -11.55881755
  H     18.63063783      9.63684087    -11.82713599
  H     17.50989738      8.85919720    -15.13520246
  O     17.70228206      9.77182488    -14.88818896
  H     15.46394518     12.44300862    -12.66164539
  H     16.95936648     10.29129343    -15.22002650
          69
 Energy    -250.83961785784541     
  O     13.45674928     11.49180437    -14.26157758
  H     14.00099010     11.17366107    -14.99099941
  H     15.90133393      5.17015755    -14.73728418
  O     14.72687432      5.85678332    -17.53496119
  H     13.94382527     11.27072061    -13.45474038
  H     14.56766978      7.86494528     -9.99002088
  O     13.34807827      5.98333669    -12.09370198
  H     14.33050506      6.74568610    -17.50203400
  H     14.49961272      6.62308842    -10.90010946
  O     17.28097980      5.49112382     -9.89804629
  H     14.70337996      5.58088536    -18.44748960
  H     13.92067314      8.91740804    -13.14168148
  O     12.97013544      4.46177404    -15.67411250
  H     12.39456303      5.91938991    -11.96710381
  H     14.65759161      8.09186275    -14.20860949
  O     10.92037813     10.64837545    -13.78735227
  H     13.48732978      6.72080266    -12.70944279
  H     15.91435407     10.92483941    -16.67253194
  O     13.62760342      8.32249905    -17.35022004
  H     17.40234679      5.29174047     -8.97280755
  H     15.75932804      9.70406267    -15.73845654
  O     18.96610793      6.86452888    -11.78831804
  H     16.49807707      6.06215597     -9.95901637
  H     10.57862393      6.06812294    -13.03762648
  O     11.63999968      8.44128880    -15.39173462
  H     13.49674283      4.88776377    -16.35905799
  H      9.82962218      5.73335592    -11.72482644
  O     17.12037754      3.65297662    -12.09740016
  H     13.59636963      4.20662787    -14.98460122
  H     10.98056852      8.04733950    -11.72397202
  O     18.78995899      5.04203476    -13.99860512
  H     10.30374555     11.37077848    -13.87041382
  H     11.10685239      9.49777023    -12.26730006
  O     16.46264936      5.64619262    -15.36908032
  H     11.80414991     11.01130785    -13.97959431
  H     15.60077435      3.89124167    -13.04084527
  O     15.09784217      7.13745308    -10.33676901
  H     14.15838629      9.08509284    -17.09301209
  H     14.31763288      4.77064739    -13.02031501
  O     13.83259326      8.14296947    -13.71092256
  H     12.82100832      8.37282021    -16.81944043
  H     11.47720748      5.30115409    -15.06382038
  O     15.26562967     10.38286589    -16.22950787
  H     18.54273434      6.35526124    -11.08524321
  H     10.93532606      6.74782563    -15.07716072
  O     10.56271097      6.23088675    -12.07531045
  H     19.00402193      6.27803147    -12.55427579
  H     12.57982333      9.15300952    -10.37769985
  O     11.30026916      8.93265978    -11.50999460
  H     12.40734682      8.27369304    -14.82161215
  H     13.03661879      9.74008437     -9.01971377
  O     14.88821016      4.24127348    -13.59424135
  H     11.20137519      9.20337556    -14.99791051
  H     16.65776465      8.44818480    -13.85314787
  O     10.77312094      5.86705146    -14.71538448
  H     17.16819152      4.18941682    -11.29671210
  H     16.52473223      7.42150298    -15.02372229
  O     13.35571934      9.30726569     -9.80684297
  H     17.79351708      4.00744492    -12.69124777
  H     14.26804634     10.13151683    -11.22026754
  O     16.40792250      8.35031730    -14.78319567
  H     19.46670365      4.67969857    -14.56551469
  H     15.56495325      9.92404442    -12.04764147
  O     14.69353489     10.34271979    -12.06065527
  H     18.03453004      5.25521934    -14.57014318
  H     16.23901591      8.07314857    -11.50816281
  O     16.85777028      8.57894638    -12.05189660
  H     15.97272493      5.67832426    -16.20113730
  H     17.70961944      8.12572678    -11.97014021
          69
 Energy    -250.83635266938666     
  O     13.11040600     11.54350979    -16.00899704
  H     12.80515711     11.63451450    -15.09341717
  H     18.99992496      5.09958587    -12.46479970
  O     14.75775029      7.06395439    -12.29309024
  H     13.98578880     11.94341287    -16.05116772
  H     17.62425712      9.85272754    -17.22572670
  O     17.97554122      9.90173420    -11.90297660
  H     14.15317606      7.66937412    -11.84077200
  H     16.27296395      9.68743244    -17.95329385
  O     18.96360169      8.68628630    -16.55303571
  H     14.25483835      6.34607322    -12.69448537
  H     15.28913464      7.88463072    -13.82390323
  O     11.92208420      7.32182352    -14.55357424
  H     17.72675644     10.38592262    -11.10666424
  H     16.04696982      7.81429315    -15.19204896
  O     13.32267968      8.96497555    -10.93551856
  H     17.45104574     10.29359361    -12.61823310
  H     11.84881154     10.73449107    -13.11444741
  O     16.27070106     10.89066335    -13.83183746
  H     19.07768183      8.60181111    -15.58945676
  H     13.03267864     11.62584329    -12.69534305
  O     16.82668576      6.87308643    -16.64498387
  H     19.83848289      8.68007351    -16.93257995
  H     10.14124149      8.96092540    -12.52948082
  O     15.51426002      8.73696875     -9.10223761
  H     12.46042903      6.53237679    -14.43052789
  H     11.35404987      8.39849620    -13.30628610
  O     16.26490633      4.99704032    -14.67625243
  H     12.32825513      7.82275641    -15.27429131
  H     18.99452087      7.38141894    -13.60029128
  O     13.65536157      5.09389201    -13.92461700
  H     13.75513442      9.79587606    -11.18448160
  H     18.93624798      8.87138468    -13.19239094
  O     18.38313136      5.71724708    -12.85093122
  H     12.46187529      8.96379713    -11.37363746
  H     17.44624376      8.22417319    -11.32390746
  O     16.87707450     10.34442454    -17.58842143
  H     16.18347505     11.51066429    -14.56489756
  H     16.28554992      7.19622422    -11.47304771
  O     15.53157440      8.38703527    -14.61257436
  H     16.01329943     10.01739506    -14.16563317
  H     16.91704833     11.63159669     -8.89485338
  O     12.32331952     11.54213847    -13.34359824
  H     17.63725420      7.39719444    -16.68780044
  H     16.27483361     10.30235098     -9.35840693
  O     11.09014721      9.01839312    -12.60347161
  H     16.23653750      7.21323125    -17.33030814
  H     14.39316536      8.45240442    -17.73033364
  O     19.20861034      8.27322300    -13.89885613
  H     16.08509083      8.11484124     -9.57019520
  H     14.63786662      8.09349760    -19.21586666
  O     17.14171480      7.35035260    -11.03965928
  H     14.66263204      8.71595575     -9.55819699
  H     15.15168819     11.21381205    -12.45537471
  O     16.68218740     11.13011574     -9.67079892
  H     16.48650956      5.50980534    -15.46587282
  H     15.25761841     11.44355503    -10.93441622
  O     15.08116497      8.23373554    -18.38372115
  H     16.97347291      5.16771606    -14.04475165
  H     16.23790666     11.70217681    -16.71368233
  O     14.62368064     11.32338142    -11.65033887
  H     14.57252264      5.00777071    -14.24227494
  H     16.16519785     13.23413398    -16.50346243
  O     15.87416243     12.40175699    -16.14129431
  H     13.32333728      4.20754767    -13.80821646
  H     13.21255077      9.82295875    -16.29644330
  O     13.42531064      8.87714897    -16.33340689
  H     17.98401535      6.20913451    -12.11333750
  H     14.12297779      8.72804501    -15.67767625
          69
 Energy    -250.83584756041128     
  O     12.21227506     11.31210960    -15.21864869
  H     12.45059964     10.58858712    -15.81516085
  H     14.90550401      5.79871864    -15.02336074
  O     15.19927860      6.61904492    -13.35075986
  H     11.77291674     10.91073465    -14.46016116
  H     18.19652758      7.24264313    -13.36044790
  O     17.33264349     10.06131280    -11.99124217
  H     15.05780640      7.45706878    -13.82059190
  H     17.59820424      8.24258835    -12.33954452
  O     17.69982471     10.01564332    -14.78562283
  H     16.09473972      6.67613954    -12.99535174
  H     15.61604486     12.01301121    -16.07313380
  O     12.07947578      6.65767719    -16.27311857
  H     16.48357916     10.49278760    -12.16425488
  H     16.86816372     11.10877854    -16.00323219
  O     14.54618921      9.23253328     -8.88954129
  H     17.43013143     10.02678563    -11.03157788
  H     14.38917700      9.10564292    -15.32571412
  O     13.20655301      7.02251743    -11.54122596
  H     17.72706820     10.15749924    -13.83037455
  H     15.87669401      9.30083704    -14.86471193
  O     14.88061910     11.09628483    -12.78893187
  H     18.19607226      9.20619019    -14.96138275
  H     11.69521991     10.01284995    -12.22022196
  O     16.79565957      7.26490183    -16.94248130
  H     11.36405776      6.15930623    -16.65884158
  H     10.22332428     10.37801646    -12.51031489
  O     14.59137450      6.37188902     -9.25612523
  H     11.81505797      6.86660525    -15.35877713
  H     16.45174992      6.63911239     -9.60426888
  O     18.77787505      7.44487534    -15.14810960
  H     15.47379786      9.49160315     -8.94524733
  H     17.55426889      6.88194072    -10.67269329
  O     14.75673787      5.67679542    -15.97069937
  H     14.54969108      8.26833632     -8.84628256
  H     11.92473579      7.05756546    -12.97701517
  O     17.75609745      7.30122411    -12.50346712
  H     13.91397710      6.81876129    -12.17461531
  H     11.17951081      8.26762053    -13.55538385
  O     16.21969531     11.48951733    -16.61266251
  H     13.17934634      7.98379728    -11.43538570
  H     17.44461794      8.64823815     -9.32640152
  O     14.99124217      9.04866542    -14.57353679
  H     14.83204324     10.33542368    -13.39168404
  H     18.00299796      9.84906305     -8.52359537
  O     11.02317835     10.05789837    -12.92117226
  H     14.76862653     11.87133541    -13.35067364
  H     15.76865361     10.24726125    -17.74022527
  O     17.35449915      6.95755109     -9.73002556
  H     16.08069703      6.66579597    -16.67882718
  H     15.67290460      9.70714785    -19.18758147
  O     11.41702209      7.35152464    -13.74275596
  H     16.39234635      7.97313944    -17.45398390
  H     13.50514187      9.70693794    -10.26602615
  O     17.38918750      9.61522186     -9.21468502
  H     14.18821509      5.66314439     -8.76102780
  H     13.71291795     10.35452803    -11.66009488
  O     15.49798003      9.48063020    -18.27809943
  H     14.04509547      6.50346767    -10.04873744
  H     13.55827475     12.37963014    -15.03485969
  O     13.09253097      9.83027659    -11.13324842
  H     18.08110632      7.31633707    -15.81913845
  H     14.14505731     13.81209258    -14.99622980
  O     14.37539979     12.89285616    -14.89279529
  H     19.58649388      7.10831798    -15.52396471
  H     13.88815712      9.20409791    -17.39631747
  O     13.20070932      9.17607722    -16.71820661
  H     13.83482374      5.91457474    -16.12214502
  H     12.80994341      8.29257298    -16.70443380
          69
 Energy    -250.83448947222001     
  O     13.93202296      9.24414826    -10.81742342
  H     13.78945528      9.82351359    -11.57851185
  H     18.11067947      4.92633611    -12.42638950
  O     13.67280647      9.73254310    -16.75868300
  H     14.46589327      9.70076273    -10.15488013
  H     12.33898862      6.60861037    -11.16686372
  O     16.40083877     11.26854408    -13.39183003
  H     13.28167540     10.52278412    -16.36473800
  H     12.84316632      7.86351141    -10.43250128
  O     12.84597500      5.72670852    -12.85422764
  H     13.52276280      9.01852300    -16.12699164
  H     19.33500987      8.20772825    -12.91628818
  O     16.31865986      7.49676914     -8.39666065
  H     16.80675276     11.25128301    -12.51305902
  H     19.04301381      8.64780984    -14.37177158
  O     15.58285103     12.72061425    -15.65206521
  H     15.49632201     10.94207061    -13.30180534
  H     13.86503895     12.45264421    -15.47535725
  O     15.99754104      7.68086581    -11.91367791
  H     13.65322652      5.43674501    -12.39811813
  H     12.37331092     12.87080086    -15.48663823
  O     13.72324528     10.37698082    -13.29652022
  H     12.40657078      4.93481178    -13.15643386
  H     13.19350937      7.19388848    -14.03303759
  O     18.58765207      8.37516042    -11.22825986
  H     15.60272108      6.85401793     -8.46644378
  H     14.50150643      7.62793347    -14.72566199
  O     17.49422774     10.93834510    -10.90661499
  H     17.11862871      7.05295789     -8.70291578
  H     16.29702573     10.52991121    -18.38807875
  O     18.41441977      5.56761227    -14.18614098
  H     15.89070775     12.12211898    -16.34359735
  H     15.30199106     10.19385870    -17.25260200
  O     17.89270404      4.65552003    -11.52595842
  H     15.98091353     12.39775660    -14.83097397
  H     13.72446861      5.16154883     -8.05944188
  O     12.39425690      7.01526818    -10.29512488
  H     15.27912422      8.24283923    -11.59702396
  H     13.46163910      6.14632698     -9.22502622
  O     19.52735026      8.00147889    -13.84206134
  H     15.99523234      7.66340307    -12.87940360
  H     15.49629323      6.02437692    -11.51328713
  O     12.95455407     12.12859062    -15.34829280
  H     13.63968657      9.51541988    -13.73073550
  H     14.82806592      5.14360795    -10.43148251
  O     13.57903658      7.88959620    -14.57726839
  H     13.34008898     11.02937765    -13.89509192
  H     18.42838420      5.61586813    -10.15752666
  O     16.19156296     10.54234978    -17.44060981
  H     18.82990349      7.73600242    -10.54943691
  H     19.35300510      5.76136202     -8.92723786
  O     14.15589991      5.64744669     -8.75696829
  H     17.67068552      8.15824228    -11.46105371
  H     16.73437258      8.10144561    -14.92155241
  O     15.12083947      5.14256928    -11.35192609
  H     16.90933882     10.77106500    -10.15855069
  H     16.88270147      6.59319739    -14.57705927
  O     18.66994956      6.20617495     -9.42181149
  H     18.04237737     10.14527266    -10.98085998
  H     15.96154416      9.18332938     -8.65261263
  O     16.24016725      7.30663295    -14.67078339
  H     18.90152456      6.40482314    -14.07166089
  H     15.59507619     10.53508084     -7.99508425
  O     15.70237807     10.10422305     -8.83879486
  H     18.91327753      5.04186019    -14.80598058
  H     17.28129435      9.91879763    -16.06084050
  O     17.63652080      9.61799750    -15.21549577
  H     16.92884228      4.60455218    -11.49112138
  H     17.28286348     10.21640933    -14.53957664
          69
 Energy    -250.83401585851425     
  O     18.03369406      9.64600338    -10.38182724
  H     18.58545840      8.95943056    -10.78522413
  H     15.48975936      7.58934807     -6.08015503
  O     14.16870487      5.27485027     -7.80195612
  H     18.50102929     10.02306150     -9.62707757
  H     17.35618753      5.38591146    -13.29978228
  O     18.95280549     10.53575751     -7.89271879
  H     13.52807227      5.98930562     -7.69188433
  H     17.32364866      4.71561720    -14.69069063
  O     12.60477747      7.62593660     -7.38127977
  H     14.46775144      5.32924089     -8.71878150
  H     14.71590488      6.53445058    -10.94270281
  O     15.80704422     10.22633603    -11.82770079
  H     19.40056226     11.31840926     -7.58191687
  H     15.70928943      6.59136328     -9.77309885
  O     19.34751553      7.55479284    -11.56732270
  H     18.01331508     10.64106419     -7.65760172
  H     18.15908070      7.18266215    -14.37433629
  O     21.36092407      6.73320326     -9.81842153
  H     11.71497976      7.69541272     -7.04699025
  H     18.97166439      7.99018330    -13.35184559
  O     17.62299573      5.31475482    -11.55102545
  H     12.62640612      8.11124026     -8.22644386
  H     16.62410805     10.33523614    -15.27812970
  O     12.82060991      9.01894683     -9.65809344
  H     16.00067434     10.19041267    -12.77267902
  H     17.27958336      9.22636732    -14.42078196
  O     16.28996572     10.77003945     -7.41732184
  H     16.63920264     10.05726026    -11.35866874
  H     16.09441131      8.15389123     -8.11983776
  O     14.55056957     11.30892562     -9.65042339
  H     20.12571406      7.29015941    -11.06073102
  H     17.03568989      8.49324876     -9.32973234
  O     15.15515244      8.39858435     -6.48648048
  H     18.72677554      6.81266244    -11.54157471
  H     19.58129922      7.32427296     -7.40305514
  O     17.19784532      5.54957252    -14.24521312
  H     21.03418775      7.20983778     -9.03358892
  H     19.81654752      8.83177963     -7.67411424
  O     15.21753901      5.97270455    -10.33762059
  H     22.31006431      6.69395612     -9.74333836
  H     15.29835984      5.47345701     -6.48238935
  O     18.54161982      8.05529798    -14.21434492
  H     16.75369065      5.44865583    -11.14867512
  H     15.68449878      5.17577462     -5.01377006
  O     16.48905253      9.78974301    -14.50795122
  H     18.20425366      4.93494599    -10.87548460
  H     14.20265654      7.65620972    -12.83053074
  O     16.60260661      7.77863952     -8.84942201
  H     13.32819503      9.83644854     -9.59760780
  H     14.68879020      8.71435260    -11.82675174
  O     20.24578388      7.96907313     -7.68378005
  H     13.09618535      8.59043712    -10.47969227
  H     20.13794264      5.20897734     -9.63881881
  O     15.89705467      5.73260497     -5.75766185
  H     15.69536315     10.99338686     -8.14359556
  H     18.94039393      5.00232506     -8.70344592
  O     14.08272242      7.96722893    -11.92218631
  H     15.86388777     10.05590932     -6.92417586
  H     17.69662987      6.66749417     -7.96933036
  O     19.34373902      4.67530359     -9.51918329
  H     14.97838616     11.00728855    -10.46992589
  H     17.55050177      5.84158576     -6.68575710
  O     18.18827352      6.09160951     -7.36306929
  H     14.20088146     12.17878922     -9.83070468
  H     15.63650796      6.66481451    -14.42969138
  O     14.93697422      7.32945084    -14.45455865
  H     14.23627767      8.21546878     -6.72576747
  H     15.38251003      8.17245966    -14.60344587
          69
 Energy    -250.83331382826145     
  O     18.03539835      9.65326172    -10.38189871
  H     18.49400523     10.02688285     -9.61981997
  H     15.55265295      7.40462667     -6.15098233
  O     14.31994171      5.09429888     -7.94192285
  H     18.61288928      9.01250836    -10.81998690
  H     17.42229848      5.70238107    -13.44849995
  O     18.90702309     10.54167699     -7.87644496
  H     14.61581389      5.18319613     -8.85718334
  H     17.84677987      6.78718017    -14.45789268
  O     12.67306510      7.37843460     -7.46785435
  H     13.65459158      5.78256500     -7.81357418
  H     14.83005828      6.46122429    -11.05898184
  O     15.76483661     10.23305783    -11.77135235
  H     19.31570937     11.33987821     -7.55186033
  H     15.80571172      6.51574735     -9.87551979
  O     19.42570157      7.67148192    -11.71854683
  H     17.96233235     10.59934583     -7.64520982
  H     19.72620000      8.56497099    -14.81228771
  O     21.44332458      6.95157259     -9.94639280
  H     12.68252419      7.88414705     -8.30112863
  H     19.18429559      8.19654737    -13.41316836
  O     17.80583630      5.41189397    -11.65598691
  H     11.78061684      7.41315713     -7.13518869
  H     17.24987806      9.31688828    -14.41670629
  O     12.84885746      8.83463231     -9.71013455
  H     15.94538434     10.18459662    -12.72114584
  H     15.77100240      8.93413738    -14.60905450
  O     16.23725064     10.64810305     -7.40278234
  H     16.60436230     10.07681894    -11.31364952
  H     16.13464218      8.04276308     -8.17340696
  O     14.45462416     11.20219118     -9.59258689
  H     20.20333338      7.44496527    -11.19236911
  H     17.06472485      8.44581045     -9.37197856
  O     15.18974775      8.21330400     -6.53347126
  H     18.82536435      6.91090454    -11.68599526
  H     19.65684096      7.34920205     -7.48097248
  O     17.20741215      6.07965499    -14.31270444
  H     21.09558167      7.37238221     -9.13882121
  H     19.83253067      8.87318232     -7.70289439
  O     15.33417826      5.89793200    -10.45819324
  H     22.38974222      6.90215386     -9.84621695
  H     15.83877358      4.96866548     -5.15702809
  O     18.92297878      8.38705226    -14.32925586
  H     16.92374075      5.46947931    -11.26494457
  H     15.44380260      5.29631191     -6.61663763
  O     16.35201813      9.67010655    -14.38003222
  H     18.39102104      5.01413885    -10.99467952
  H     14.23646849      7.65040828    -12.94425729
  O     16.65612727      7.70420551     -8.91145426
  H     13.31424537      9.67414589     -9.61532938
  H     14.74430902      8.67412062    -11.90528305
  O     20.29181161      8.02732155     -7.75144205
  H     13.15087634      8.45125164    -10.54393136
  H     20.30992253      5.33793406     -9.75607946
  O     16.03076309      5.55620777     -5.88267911
  H     15.83939184      9.90572119     -6.92826817
  H     19.13377750      5.04382174     -8.81654004
  O     14.16275440      7.90883096    -12.01722868
  H     15.62596859     10.87763090     -8.11323671
  H     17.79855924      6.62429840     -8.05499395
  O     19.55390090      4.75210700     -9.63718950
  H     14.90043604     10.93740921    -10.41615815
  H     17.68891308      5.76378740     -6.79148850
  O     18.31729619      6.06340283     -7.45724644
  H     14.07960367     12.06530676     -9.75214849
  H     14.34178951      6.87417966    -15.41635978
  O     14.79610401      7.25787281    -14.67149998
  H     14.27912275      8.00436450     -6.78290125
  H     15.62377698      6.75622981    -14.55799813
          69
 Energy    -250.83272867307494     
  O     11.94190767     10.77550303    -14.93014542
  H     11.81968403     10.14961625    -15.65352947
  H     13.89230423      3.89524606    -14.67030912
  O     15.20672458      6.12889501    -12.74496412
  H     12.70975644     11.31389481    -15.15662223
  H     16.89854563     10.48604008    -16.40616955
  O     17.71968411      9.98408961    -12.76337202
  H     16.13433171      6.38790284    -12.65243248
  H     15.59738785     10.00848020    -17.08986128
  O     18.37857716      9.79252209    -15.45557073
  H     14.71214706      6.51767014    -12.00968439
  H     13.48249311      8.01133255    -14.40822883
  O     11.99316553      6.89931262    -14.86520040
  H     16.81922368     10.31137190    -12.90917526
  H     14.83932157      7.60044865    -13.81430896
  O     15.59232969     10.11055679     -9.01368983
  H     17.94497472     10.17649744    -11.84481466
  H     11.43056324     10.48344830    -13.28775558
  O     13.79949527      7.42998946    -10.74463469
  H     19.28271603     10.05301436    -15.61940149
  H     10.35933307     10.79307021    -12.21684709
  O     15.13236534     10.73119237    -13.27814431
  H     18.23193130      9.89496332    -14.50142692
  H     17.94694892      7.15622206    -10.80110148
  O     15.80945605      6.00742581    -16.68102084
  H     12.55728659      6.11632330    -14.89939927
  H     18.13721783      8.36062078     -9.86197081
  O     15.54030549      7.27120710     -8.55964281
  H     11.67327944      7.00059055    -13.95483805
  H     12.13424141      7.30417079    -11.66918469
  O     18.08935048      6.88295438    -15.32787175
  H     15.50111281      9.19755819     -8.71427936
  H     11.22101340      8.40022253    -12.25739667
  O     13.92423885      4.84225624    -14.78114640
  H     14.85356585     10.26858179     -9.61647910
  H     17.71277197      8.12534788    -12.65048400
  O     16.08694772     10.79913621    -16.82359572
  H     14.30179107      7.27322568     -9.93511171
  H     17.96428183      6.91241825    -13.56850319
  O     14.39097375      8.31360580    -14.28525808
  H     13.77261477      8.38984304    -10.86572984
  H     18.63574878     10.87726178     -9.46115208
  O     11.15927197     10.29727840    -12.37115068
  H     14.84375614      9.88453593    -13.65743912
  H     17.20693096     10.31104008     -9.64010999
  O     17.90791691      7.42343967     -9.87283001
  H     14.89862848     11.41050523    -13.92084312
  H     14.61878919      8.45298468    -16.09771114
  O     11.39934757      7.45124017    -12.27787620
  H     15.15913601      5.55501607    -16.13266222
  H     13.57788073      8.59816584    -17.22093899
  O     17.74634060      7.15952850    -12.65602213
  H     15.36886834      6.79922546    -17.01509375
  H     14.20677770     10.48666084    -11.76681114
  O     18.10954413     10.29917040    -10.00694370
  H     15.62247763      6.74539682     -7.76895400
  H     12.73202610     10.32309058    -11.35164785
  O     14.52429949      8.50654539    -17.06193223
  H     16.40390018      7.24071268     -9.01013179
  H     14.36239780     13.20492762    -15.71966112
  O     13.63610174     10.22259969    -11.03010261
  H     17.35189753      6.53066345    -15.84659045
  H     14.96084088     11.80367418    -15.99302277
  O     14.31903260     12.29307223    -15.44596298
  H     18.17085626      7.81449171    -15.55858142
  H     10.96229617      8.49340105    -17.46629140
  O     11.68576476      8.69232544    -16.87780908
  H     14.41130382      5.19715352    -14.01679738
  H     11.69963613      7.99135692    -16.20134842
          69
 Energy    -250.83122751835816     
  O     14.67736440      9.75437266    -10.46810043
  H     15.43921054     10.06013993     -9.96065810
  H     13.33762507      8.72699268     -9.83528414
  O     13.25844732     10.39640578    -16.28827298
  H     14.53303366     10.33663193    -11.22694624
  H     18.56704715      7.89103430    -15.14904609
  O     16.92492797     10.94625832    -13.68037948
  H     13.20764198     11.25662200    -15.85300053
  H     19.96783781      7.24931084    -15.25836147
  O     16.96537799      7.38052620     -8.68121590
  H     13.01866198      9.74570302    -15.61644729
  H     14.49449374     12.89567539    -15.18844090
  O     16.12688069     12.63376662    -15.77263066
  H     17.48600511     10.86947816    -12.89537456
  H     13.23076787     13.73746741    -14.88225331
  O     15.87888582      7.71260720    -11.98869917
  H     16.00692614     10.88029222    -13.38689993
  H     13.79344623      8.12660020    -14.39444550
  O     14.21156498     10.88901983    -12.92610875
  H     17.51610784      6.75472130     -9.16590815
  H     12.59022570      8.05968335    -13.43088467
  O     18.68346890      7.73772485    -12.01896754
  H     16.10354525      6.96046637     -8.57085448
  H     14.80282623     10.31826439    -17.12286703
  O     18.39141466     10.44394306    -11.43318698
  H     16.56447838     12.18614866    -15.03408783
  H     15.56988079     10.33519345    -18.46469567
  O     17.17330467      5.14321697    -14.45128052
  H     16.08613377     11.98157453    -16.48229730
  H     11.42024549      6.13235909    -12.27482574
  O     16.88732233      4.21348146    -11.85217122
  H     15.50542895      8.41714393    -11.44542766
  H     12.90432081      6.23036921    -11.86491825
  O     12.71004274      8.03545946     -9.57517126
  H     16.84158613      7.76937602    -11.94290564
  H     13.99584074      5.81010724     -7.67985037
  O     19.15614227      7.22372487    -14.75776791
  H     13.92025895     11.64350523    -13.45206762
  H     13.73335222      6.87688910     -8.77089509
  O     13.58617086     12.85443862    -14.83801546
  H     13.77928575     10.10564906    -13.29648746
  H     14.40251854      5.56763384    -10.24003927
  O     13.02269434      8.62524601    -14.08021804
  H     18.93011674      7.48781819    -12.91809116
  H     15.00614250      6.23805923    -11.49333522
  O     15.69097210     10.36870791    -17.51955225
  H     18.79721287      6.97055235    -11.44310801
  H     17.97349843      5.03656674    -10.80681375
  O     12.12502212      6.75549300    -12.11217618
  H     18.64052664      9.52581583    -11.61130734
  H     19.20982943      4.98327834     -9.87697460
  O     14.36515682      6.19943912     -8.46785572
  H     17.99031401     10.43421308    -10.55664097
  H     15.99973661      7.91960532    -15.10926340
  O     14.43722847      5.50597455    -11.20338347
  H     17.94716490      5.69628187    -14.60760109
  H     15.54620032      7.46355795    -13.70399364
  O     18.56599179      5.57730075    -10.25271671
  H     16.42132910      5.72240427    -14.62859939
  H     17.03841489      9.11592238     -8.83026948
  O     15.37187674      7.34555993    -14.65242219
  H     15.96931963      4.42675545    -11.64909672
  H     17.20527847     10.47984878     -8.11849206
  O     17.01043959     10.08122901     -8.96226653
  H     17.01481634      4.43716115    -12.78635665
  H     16.87423648      9.46712997    -16.40956862
  O     17.33838155      9.08569002    -15.65415686
  H     12.33962453      7.69553430    -10.39733309
  H     17.26073727      9.72745518    -14.93029034
          69
 Energy    -250.82984771337522     
  O     13.93271973      9.15015133    -16.03289852
  H     13.73754983      9.55392792    -16.87423075
  H     11.01141617      5.69472873     -9.94315305
  O     11.37952964      9.31561365    -10.60209265
  H     13.09471987      8.78545858    -15.69227123
  H     16.97814152      4.21234057    -12.62460723
  O     15.80343824      6.53926828    -10.68056098
  H     11.21560832      8.37146909    -10.48023758
  H     16.76411625      4.27640340    -14.13744828
  O     14.61222040      2.44218687     -9.11626943
  H     12.12755927      9.53711517    -10.03415864
  H     14.90453825      7.24714532    -13.67556101
  O     13.71105726      9.79604817     -9.03035401
  H     15.85405625      5.58388799    -10.81800907
  H     14.35888746      8.49194850    -12.92376272
  O     11.34993217     10.42176873    -13.04156688
  H     15.32052269      6.90507853    -11.43950250
  H     11.65726536      7.46231654    -14.31437661
  O     15.69443226      3.86185357    -11.27064420
  H     14.15941975      3.14253609     -8.61264925
  H     11.40628940      8.98083281    -14.27941329
  O     12.35180096      2.45265775    -10.89701396
  H     14.91867404      1.79969854     -8.48248430
  H     18.48379590      8.39642818    -10.75614267
  O     14.12952511     10.28002905    -13.42116745
  H     13.79763024     10.46878953     -8.36008763
  H     17.11179477      7.71436078    -10.96217568
  O     13.18894275      4.40207583     -7.89228396
  H     14.38241597      9.98931879     -9.70894503
  H     14.52896909      6.79761921     -9.44497666
  O     10.73378149      3.97123008     -9.33432127
  H     11.30995951     10.02364870    -12.15258146
  H     13.74115673      7.94186254     -8.77169639
  O     11.37576658      6.52909049    -10.26271406
  H     10.71455800     11.13210865    -13.05300803
  H     16.31730565      9.76487802    -11.11369685
  O     17.38967977      4.51554064    -13.44373706
  H     14.93505497      3.85829986    -11.87199097
  H     15.14014991     10.44753808    -11.85332472
  O     14.49220349      7.53906087    -12.85203640
  H     15.45061360      3.31770736    -10.51237264
  H     17.76570617      6.29487674    -13.70561477
  O     11.64668297      8.25351431    -14.86815711
  H     12.69155799      2.81742141    -11.72463218
  H     17.79228925      7.72383798    -13.10732437
  O     17.68320779      8.43709359    -11.27415929
  H     13.12310881      2.28655892    -10.34101572
  H     12.93205464      6.70938881    -12.89705278
  O     13.76921418      6.98297782     -8.87402162
  H     13.18720359     10.43628662    -13.26667708
  H     11.71404976      6.29289227    -12.04915709
  O     15.52637657     10.30074560    -10.98006487
  H     14.21437301     10.05484958    -14.35578022
  H     15.08932040      7.71345956    -15.73451623
  O     17.75721886      7.23742304    -13.93684996
  H     12.29158496      4.28023234     -8.22629348
  H     16.38299517      7.14870733    -15.01600354
  O     12.09316070      6.22324547    -12.93519994
  H     13.42351751      5.32014015     -8.08213685
  H     15.25653466      5.17797808    -15.42838189
  O     15.51917759      6.91824924    -15.39945050
  H      9.93972655      3.49316019     -9.11215968
  H     15.22125827      3.83322645    -16.19078916
  O     15.17909460      4.21429535    -15.31739362
  H     11.24503369      3.40311284     -9.93864557
  H     12.95775366      4.62254339    -13.05753630
  O     13.53232347      3.84375898    -13.05769893
  H     12.21903621      6.65310482     -9.80270640
  H     14.02978508      3.86402100    -13.88468610
          69
 Energy    -250.82958751556424     
  O     18.38799541      9.44566738     -8.92406485
  H     18.33600884      9.03213112     -8.05451059
  H     19.17086453      7.47226299     -6.58931176
  O     18.16068711      4.77825094     -9.25443713
  H     19.20898726      9.95464964     -8.96507738
  H     17.19356412      9.71855546    -10.31123692
  O     19.46016081      4.24677638    -12.55357487
  H     18.48823666      5.58494603     -9.68636253
  H     16.01824534      8.90699039    -10.86597591
  O     18.30906260      6.79977438    -13.03947752
  H     17.77586255      4.22328059     -9.94391197
  H     20.82283960     10.48138149    -10.27093251
  O     21.70571548      7.30360080    -11.07128145
  H     19.13964624      5.08105372    -12.92037154
  H     21.14591335     11.62742828     -9.28073915
  O     16.97788276      3.44153661    -11.37612156
  H     18.68021398      3.78895344    -12.21686766
  H     20.95384686      4.36188256    -11.66043349
  O     20.75613197      9.82927596    -11.86547612
  H     18.50507072      6.88311681    -12.09257602
  H     22.41754873      3.88910026    -11.51250277
  O     20.79757183      6.69772524     -6.71510674
  H     18.32262332      7.70464613    -13.37096839
  H     14.18413989      4.86399239    -12.25760211
  O     14.17930847      4.51657314     -8.29143214
  H     22.04416228      7.59695314    -10.21036549
  H     13.74310996      3.66318603    -11.39945347
  O     22.24151732      8.35066088     -8.59394124
  H     21.87629426      6.35814609    -11.15445327
  H     15.58020577      7.08823128     -9.37418651
  O     19.02286050      7.11157978    -10.38188994
  H     16.57315207      4.23557336    -11.75794809
  H     14.21055835      7.14723829    -10.09698926
  O     18.31392420      7.92633768     -6.53914787
  H     16.25390912      2.95212984    -10.96684472
  H     16.61245132      6.15257990    -12.76826423
  O     16.64428813      9.60440542    -11.09859586
  H     21.14010137      8.94402328    -11.79824659
  H     15.62014682      6.35545431    -11.59733986
  O     20.82742020     10.73036081     -9.32724006
  H     19.95465020      9.75228311    -12.39605536
  H     16.97288617      5.67222607     -8.31458158
  O     21.77362495      4.49203073    -11.15043411
  H     21.36293883      6.44935628     -5.98751372
  H     16.90062509      6.86100317     -7.33530922
  O     13.40568349      4.42469564    -11.88718536
  H     20.81664367      5.95163207     -7.34243172
  H     11.67917375      6.44895339    -10.06948634
  O     15.13818057      7.40374243    -10.17418597
  H     14.89392934      5.09362404     -7.99348761
  H     12.77746271      5.57054226    -10.71732729
  O     15.82737564      5.77963814    -12.34720792
  H     13.54210191      5.09401411     -8.73036982
  H     17.95158623     10.23140836    -13.91781722
  O     16.35765724      6.28984398     -7.88691741
  H     21.81026173      9.20713500     -8.70844170
  H     17.64494666      9.63062679    -12.52542450
  O     12.59510961      6.19719617     -9.99369246
  H     21.74500602      7.87587114     -7.91785099
  H     19.85596198      4.52200618     -8.64409739
  O     18.26734804      9.60198273    -13.27519040
  H     18.75691868      7.92651656     -9.94057964
  H     21.24198041      4.55699397     -9.30699350
  O     20.79763199      4.64784358     -8.45646320
  H     19.96885872      7.17766396    -10.57302343
  H     14.50911281      3.18527791     -9.39850641
  O     14.64100328      2.52363506    -10.10076810
  H     18.22052197      8.23864389     -5.64191213
  H     14.31797887      1.69415455     -9.75927525
          69
 Energy    -250.81909219167107     
  O     10.73641181     10.05288863    -11.56828833
  H     10.24772835      9.66194095    -12.30384916
  H     17.35064378      7.11757952    -15.99675479
  O     13.77730370      7.45686922    -15.21003990
  H     11.45201762     10.56422650    -11.96492547
  H     14.46446518     11.80957835    -15.56820198
  O     17.36366265     10.70146104    -11.55817348
  H     14.44804649      7.91920407    -14.68073227
  H     14.70313383     13.27968747    -15.14532235
  O     19.17934933      9.63277482    -15.48448035
  H     14.06585081      7.54502143    -16.12603596
  H     15.42449426      8.91985852    -12.86210364
  O     11.85780977      9.43886574    -15.05646671
  H     16.44201237     10.49866612    -11.34249796
  H     16.24919698      9.38578174    -14.07217941
  O     16.43958170      6.51443211    -10.72950634
  H     17.85960248      9.90618494    -11.32630383
  H     10.62112959      8.03119863     -9.11030108
  O     13.32589355      5.83083484    -13.00284347
  H     18.50242732     10.19994371    -15.07644852
  H     10.98350278      8.73867605    -10.43879454
  O     14.73462578      9.78414074    -11.38768415
  H     19.84937662     10.21404118    -15.83513194
  H     19.33372251      7.83475123    -12.66611118
  O     15.83955867      4.55829299    -12.78502121
  H     12.44557551      8.66982525    -15.09263362
  H     19.56903914      8.28407461    -14.13438878
  O     17.18079604     11.00036455    -14.25316711
  H     11.00940689      9.13372835    -14.71358840
  H     11.50479890      6.08630760    -12.58975596
  O     14.91359210      8.23787210    -17.66822302
  H     16.32138579      5.77408025    -11.33504902
  H     10.73967186      6.79258967    -11.44802615
  O     17.39565322      7.76536314    -16.71153544
  H     15.54652382      6.80969424    -10.51127880
  H     18.14418403      6.59753896    -14.00661233
  O     14.79458042     12.37787246    -14.84810951
  H     14.10455262      5.26526279    -12.92515036
  H     16.69357559      7.12797181    -14.00891932
  O     15.73497696      8.64325359    -13.73323769
  H     13.42175369      6.31650363    -13.83443234
  H     17.81741013      7.60195599    -10.87744262
  O     11.10699898      7.92148800     -9.92290988
  H     14.33719929      8.98018820    -11.02828531
  H     19.11202866      8.06842198    -10.18048861
  O     19.59770867      7.52281806    -13.54209147
  H     14.05653674     10.25132477    -11.89473995
  H     14.21560892      9.92921857    -17.09582307
  O     10.63988362      6.43668707    -12.33986070
  H     16.37220730      5.11122942    -13.38435182
  H     12.98377089     10.33836765    -16.26533085
  O     17.23533530      6.35964426    -14.24519396
  H     16.16856630      3.66696273    -12.86557844
  H     13.57596578      6.82734989    -11.46774322
  O     18.58196157      8.19787832    -10.96353082
  H     17.30818066     11.00051952    -13.28949720
  H     12.86600246      7.48119715    -10.25445954
  O     13.77442157     10.68906043    -16.69794482
  H     16.42117450     11.55866100    -14.45542580
  H     13.55254366     11.65387927    -13.54510716
  O     13.73197522      7.31723727    -10.64770336
  H     14.86654293      7.92951643    -18.56922070
  H     12.55487809     10.49974730    -13.75271386
  O     12.93746961     11.07838763    -13.07625734
  H     15.83140595      8.09814016    -17.37341412
  H      9.92447942      7.71836953    -13.27737446
  O      9.58742428      8.52108902    -13.71491011
  H     18.05361554      8.41175871    -16.42926656
  H      8.67828637      8.35027934    -13.94468553
          69
 Energy    -250.81876487837940     
  O     13.26231646      3.69006026    -12.99878526
  H     14.12916508      3.80919823    -13.40741931
  H     15.37520434      8.10257824    -10.04648136
  O     15.69679966     11.04026333    -14.59868019
  H     13.38940011      3.79286807    -12.04769574
  H     14.54748926      7.56373896    -11.94594794
  O     17.53280735      9.10252256    -12.29902629
  H     16.11378257     10.21747588    -14.88808842
  H     13.06245896      7.37747031    -12.41324806
  O     10.82578962      8.98676919    -14.37885180
  H     14.78094604     10.81906200    -14.38036784
  H     10.38975685      4.20710959    -14.11507726
  O     18.57326031      4.07005320    -14.56694708
  H     17.24325546      8.87083079    -13.19525389
  H     11.84684773      4.40570988    -13.63407837
  O     11.99643782      6.91744188    -15.68684352
  H     17.36742125     10.04607730    -12.18376356
  H     20.50816078      7.90584969    -11.85070452
  O     16.25188975      4.92798271    -11.15608331
  H     10.06003110      9.29239334    -14.85714942
  H     19.00448071      8.07841325    -12.15614747
  O     14.00580017      9.02741909     -9.20677956
  H     11.24387282      8.29830679    -14.92860235
  H     15.14047861      5.79672724    -14.83214972
  O     19.08131634      6.87969529    -14.95434250
  H     18.77437334      4.22050619    -13.62481193
  H     14.41772122      7.01416429    -14.23946587
  O     14.23456268     10.99721522    -11.04424883
  H     19.11463329      3.33886150    -14.85175636
  H     17.14576904     12.63977226    -12.25221874
  O     13.23271711     10.19078725    -13.53601636
  H     11.65536343      6.14878553    -15.21201325
  H     16.37940553     11.61117224    -13.12011169
  O     15.90093505      7.58586310    -10.66917147
  H     12.95825898      6.82500334    -15.67781961
  H     17.65107970      7.97372562    -15.07438419
  O     13.94026180      7.67140107    -12.68629731
  H     15.46317319      4.53595501    -10.76348023
  H     16.10464803      7.86962467    -15.08333408
  O     11.04578589      4.87400152    -13.93262343
  H     16.20425215      5.87221739    -10.94311597
  H     18.06510725      4.70768822    -11.54699915
  O     19.74257897      7.44848132    -12.19009045
  H     13.95503220      9.41909765     -8.33885412
  H     19.25061508      5.62744010    -11.92526967
  O     14.73622413      6.63924359    -15.07674083
  H     14.03385421      9.76414639     -9.84375224
  H     10.95833981      7.84382716    -12.82942585
  O     16.73138156     11.78204326    -12.22564028
  H     18.90765210      5.93068687    -14.97272162
  H     11.06468274      6.30525541    -12.75789933
  O     16.83816221      8.47579470    -14.91647605
  H     19.46012401      7.05482264    -14.08467049
  H     16.72248720      4.16751602    -14.25534281
  O     18.94121377      4.71339778    -11.95630012
  H     15.09427518     11.34122317    -11.31292784
  H     16.00595777      4.61433002    -12.96327145
  O     11.19974104      7.11453469    -12.24508336
  H     13.75229708     10.84139162    -11.86758988
  H     13.42270686      3.61034975     -9.51058935
  O     15.85398176      4.36966229    -13.88793309
  H     12.35463209      9.99400841    -13.87982960
  H     13.29046966      5.05288178    -10.04900157
  O     13.69824908      4.18570723    -10.21957628
  H     13.58659234      9.33538496    -13.24566710
  H     12.95674949      7.44759327     -9.59063063
  O     12.52926368      6.61962362     -9.83762014
  H     16.48180873      8.18444560    -11.15963523
  H     11.90698205      6.82983158    -10.54736293
          69
 Energy    -250.81876276924950     
  O     13.28253161      4.89241618    -10.45768549
  H     13.94028694      4.53871500    -11.07108824
  H     12.75556491      9.93254829    -14.48156171
  O     15.67903833      9.37463594    -16.44183074
  H     13.76783222      5.40554028     -9.80074623
  H     17.40989425      8.51969250    -12.35525103
  O     18.08627085      8.31171362    -14.00564112
  H     14.89850411      9.62696390    -15.92932501
  H     16.78269891      9.35435767    -11.17418314
  O     15.92589497     10.91720726    -10.66512366
  H     16.37848976      9.96842970    -16.14644719
  H     13.69615885      8.26935518    -12.06943162
  O     11.06639225      9.25508564    -13.93078977
  H     17.43365674      7.83342293    -14.53568883
  H     15.26012101      8.23537531    -12.16976721
  O     17.63013492      3.24563441    -13.40994046
  H     18.81908684      7.69620823    -13.85539127
  H     11.82183773      5.56425252    -11.03212679
  O     11.49734973      6.57893485    -14.11157192
  H     16.24650702     11.67324055    -10.18055742
  H     10.27581681      5.57567969    -10.97076099
  O     16.91895584      5.96505134    -10.43558679
  H     15.78119865     11.21495745    -11.58163539
  H     19.70464112      5.73540838    -12.88328327
  O     14.08784082      9.03830370     -9.45714352
  H     10.21055131      9.47830493    -14.28622119
  H     19.45189985      5.72630353    -14.40356951
  O     18.29434460      4.88551677    -15.67321795
  H     11.19654605      8.30195925    -14.09004570
  H     14.58603001      5.19541632    -13.57092403
  O     15.64450290     11.60538567    -13.25941640
  H     18.23958864      3.59740127    -12.74884242
  H     14.27604332      6.69765586    -13.64977006
  O     13.71248951     10.02619388    -14.53920446
  H     17.83468825      3.71362445    -14.22894114
  H     17.97334191      9.96418344    -14.64818406
  O     16.97160440      8.46392007    -11.49395486
  H     11.27452707      6.27414680    -13.22259796
  H     18.55838426     11.20680528    -15.35688179
  O     14.44138660      8.13980041    -12.66906858
  H     12.38044265      6.23265907    -14.29389259
  H     15.58638545      6.45049904    -15.23702007
  O     11.02491651      6.02747844    -11.34910591
  H     16.27845613      6.05153668     -9.71958975
  H     16.08520135      7.66426277    -16.08874631
  O     19.83431807      6.25187722    -13.68813013
  H     17.01596157      6.85578039    -10.80691943
  H     18.39484397      5.09930784    -10.98207555
  O     14.23819593      5.87452692    -14.16371083
  H     14.65686334      9.72225617     -9.82850916
  H     19.69030692      4.30636298    -10.70406908
  O     17.74812893     10.83512263    -15.01768425
  H     13.27371644      9.04126951     -9.97881918
  H     11.64941853      9.04022678    -12.10360287
  O     16.36099723      6.83587930    -15.66914106
  H     18.48662884      4.59102361    -16.55997222
  H     11.62261343      7.77467227    -11.22024095
  O     19.15065953      4.66095082    -11.40643703
  H     17.60137737      5.56285759    -15.75038161
  H     16.07871951      3.77700085    -12.64714427
  O     12.01936102      8.65349803    -11.30029883
  H     16.39778986     11.46620129    -13.84655693
  H     15.90592836      4.91236122    -11.62141758
  O     15.41066424      4.30094990    -12.18273723
  H     14.88303892     11.22692929    -13.71863182
  H     14.71728287      6.48694131     -7.72279657
  O     14.80596759      6.53169580     -8.67136049
  H     14.06656866      9.36091582    -13.92803204
  H     14.56992454      7.44013810     -8.93017539
          69
 Energy    -250.81768722444895     
  O     17.78941431      8.57221022    -16.30967670
  H     18.37501229      9.16484474    -16.81554131
  H     20.13701995     10.74028339    -17.36319818
  O     18.24236924     15.28149613    -16.98101297
  H     17.73241363      7.75747613    -16.80147332
  H     17.39394827     13.13177309    -10.29816389
  O     22.19881068     10.58399924    -14.26560796
  H     19.16043527     14.96754493    -16.87955586
  H     17.14749321     12.75512196    -11.77003474
  O     14.59538108     11.45261445    -13.91882470
  H     18.24478164     15.91101339    -17.69709869
  H     19.04567561     16.70012300    -11.42717159
  O     20.14559233     11.80049468    -10.89604865
  H     21.98284229     11.45683084    -13.89946039
  H     17.91033956     16.38098119    -12.42110771
  O     16.34873863     10.04830790    -12.14963805
  H     21.83306689      9.96497195    -13.62683820
  H     17.66526145      9.44069977    -13.15521999
  O     21.69086446     11.61326882    -16.73283155
  H     14.94684969     11.11167437    -14.76174181
  H     18.19713717      8.90812061    -14.54286665
  O     20.64131367     15.49854513    -13.85259019
  H     13.64642503     11.47376907    -14.00321897
  H     21.06153240     13.45810159    -16.50595065
  O     17.60002936     14.79552488     -9.47151433
  H     20.35051952     10.90479457    -11.19034511
  H     20.93882783     14.73198784    -15.61676266
  O     21.09662694     12.86400633    -13.26169139
  H     19.18244582     11.90299932    -10.90648267
  H     20.85720399     15.72799159    -10.69816176
  O     15.73949123     10.59699618    -16.19985497
  H     16.65676540     10.74289922    -11.55327954
  H     21.57489197     17.09287328    -10.82532404
  O     19.28276520     10.39451518    -17.64950903
  H     15.65396385     10.45021523    -12.68637863
  H     17.86861946     15.64914534    -15.14853906
  O     17.41518291     12.38915449    -10.91422182
  H     21.88373493     11.17174925    -15.88778948
  H     17.35469150     14.87870515    -13.90823821
  O     18.09346105     16.55369081    -11.48921004
  H     22.49090912     11.56031070    -17.25120957
  H     20.48419110     13.43485638    -10.00303177
  O     18.45902002      9.26622144    -13.68603553
  H     19.68073077     15.57021543    -13.95100145
  H     19.49344395     14.48526088     -9.47355714
  O     20.73846258     14.36602504    -16.48752129
  H     20.86770548     15.94255806    -13.02554005
  H     20.81718940      8.42757526    -11.71520058
  O     20.96012430     16.51284271    -11.26609123
  H     17.68662872     15.43919057    -10.19778104
  H     19.89272793      9.19686098    -12.68572065
  O     17.85511874     15.66142557    -14.18382917
  H     17.08754551     15.21922458     -8.78837530
  H     18.71122220     10.99609067    -14.25405576
  O     20.42040754     14.35251668     -9.70970263
  H     20.79414389     12.62113951    -12.37585032
  H     19.61675818     12.25971115    -14.15754692
  O     20.68692309      9.27722970    -12.12907580
  H     20.99214105     13.81602350    -13.37763152
  H     17.68230081     13.47363198    -17.06918377
  O     18.78027601     11.92615685    -14.50418162
  H     16.30925616      9.82122923    -16.24522686
  H     18.09060767     12.32303277    -16.12210400
  O     17.61126326     12.52200533    -16.94303865
  H     16.26215444     11.32635744    -16.56300900
  H     15.86165278     12.78765741    -13.61523611
  O     16.66564464     13.29004403    -13.43563640
  H     18.68736515     11.15645083    -17.64678756
  H     17.40108447     12.79215417    -13.82804793
          69
 Energy    -250.81749622469658     
  O     15.44751865     10.22713102     -8.85537084
  H     15.58189285     10.49830797     -7.95095922
  H     14.18415453      8.02326265    -13.84661891
  O     12.81384343      6.35004799    -11.35166688
  H     16.32872755     10.03730312     -9.22756732
  H     15.03126848      5.43349379    -16.18898757
  O     17.47097636     10.18389043    -12.69535706
  H     13.42454242      6.75915945    -10.72399714
  H     14.26474872      6.24225499    -15.09030206
  O     17.43706225      9.09864413    -15.22428462
  H     13.31549092      5.66415159    -11.80809878
  H     16.47347743      6.06725598    -14.82876997
  O     16.22623149     12.69554421    -12.75373719
  H     17.62407173      9.86381793    -13.59561489
  H     17.38893590      7.32586538    -14.73030746
  O     14.81274771      7.66992526     -9.87778157
  H     17.13587752     11.08861077    -12.75859076
  H     15.06673208      8.27168603    -11.62381672
  O     14.84185757      9.58690436    -16.20577733
  H     17.95268601      8.95731468    -16.03120133
  H     15.94633330      9.18624364    -12.53437075
  O     14.26750932     11.72265237    -14.61884508
  H     16.54076418      9.32103407    -15.50947771
  H     14.15362589      3.46675492    -12.78071498
  O     15.80174481      5.71520401    -17.77578677
  H     15.61242481     12.53908582    -12.01290208
  H     14.50235001      4.67138806    -13.68178086
  O     11.33266902      8.05399833    -12.85844681
  H     16.54461032     13.58978574    -12.66545558
  H     13.72803101      9.87554140    -12.45030259
  O     16.98397255      5.36480239    -12.01891889
  H     14.86016176      8.53515667     -9.45086230
  H     12.20256423      9.76942287    -12.55614873
  O     13.56603097      7.77068334    -14.55240485
  H     15.66857103      7.24579347     -9.72858368
  H     17.92363886      6.10874740     -9.13446665
  O     14.78379802      5.43985514    -15.25290462
  H     14.65225947     10.43266456    -15.77249427
  H     17.33816189      6.18179062    -10.56453607
  O     17.36693143      6.36690081    -14.60785421
  H     14.31193342      8.92395798    -15.74256182
  H     18.24909721      5.79409082    -16.08509656
  O     15.12055440      8.68847122    -12.49224782
  H     13.64814731     11.36803931    -13.96770265
  H     19.24451191      4.93095224    -16.89231512
  O     14.39473261      4.38996473    -12.75714417
  H     14.96492197     12.14679891    -14.10540194
  H     17.82188648      9.73171747    -10.94074875
  O     12.91768006     10.40826257    -12.46865375
  H     15.71810691      6.61603444    -18.11291164
  H     17.81342637      8.53406915     -9.95334078
  O     17.43886697      6.67411587     -9.72934382
  H     16.74882643      5.56459153    -17.66650667
  H     15.35848819      8.89866625    -19.30938530
  O     18.56327415      5.59219759    -16.98238711
  H     11.80571368      7.43320439    -12.27391279
  H     15.38237138      8.93007961    -17.76548992
  O     17.78423373      9.49760417    -10.00301082
  H     10.40974715      7.82009714    -12.81862843
  H     13.75762330     11.57815095    -11.27625575
  O     15.74265844      8.47536852    -18.54565392
  H     17.25978930      5.73027061    -12.86966338
  H     14.75214065     11.46108918    -10.09806611
  O     14.46104800     12.04735112    -10.80704708
  H     16.11540060      4.97353128    -12.16836385
  H     18.64873786      7.43486592    -17.56088384
  O     18.47938276      8.37941850    -17.66586290
  H     12.68552899      7.84919427    -14.16838525
  H     17.62195581      8.44306182    -18.10666914
          69
 Energy    -250.81563043159184     
  O     -2.27374383      1.34219055      3.82742271
  H     -2.87149247      0.98229831      4.47688397
  H     -1.29475424      6.45041274     -0.00264528
  O     -4.18484223      2.74400212     -2.27923651
  H     -2.21011995      2.29929886      3.99911752
  H     -0.63054594      4.90697718     -1.48391449
  O     -2.49085320      4.35565787     -3.93533867
  H     -4.06219745      3.11339494     -1.39596658
  H     -1.87338319      5.15641097     -2.36681455
  O     -3.29909810      5.76296133      2.30568236
  H     -3.74908463      3.35942461     -2.88284917
  H      1.70110189      1.61832805      4.00562377
  O     -1.22879036      0.02937755     -0.95485401
  H     -2.61693871      4.73118337     -4.80242560
  H      2.88207771      1.98475206      4.93929595
  O      0.88586414      1.35168442     -2.21967088
  H     -1.92870983      3.56790442     -4.04975978
  H      0.98933502      2.47528370      1.28904718
  O      1.37859379      6.65313227      2.00867867
  H     -3.93345428      6.44361484      2.51439502
  H     -0.57550217      2.40894176      1.18484326
  O      0.48022386      0.52667495      3.52454400
  H     -2.56081784      6.19988575      1.84199414
  H     -2.66064364      4.39577259     -0.41168859
  O     -3.12726792      0.34590003     -3.00771322
  H     -1.63452192      0.54869434     -0.24295523
  H     -3.46967921      4.51967312      0.89933531
  O      0.75474724     -0.56050806      0.98571960
  H     -1.88729581     -0.02297038     -1.65738421
  H     -1.08236913      4.25305880      4.05651176
  O      2.95727709      2.31474492      1.40970654
  H      1.68770142      1.01910969     -1.79931038
  H     -2.49851033      4.61901225      3.56051560
  O     -1.26351377      6.82352099      0.88859433
  H      0.15005356      0.90572867     -1.77315980
  H     -2.36538602      1.43789582      1.99675670
  O     -1.50131372      5.33258297     -1.49449349
  H      1.72526498      7.37551104      2.52730989
  H     -2.67438647      2.38824789      0.78171443
  O      2.38473938      2.29197910      4.18693556
  H      1.16345378      5.93848682      2.63191373
  H      0.41918774      4.00108577      2.65629926
  O      0.18404410      3.00276922      1.21149857
  H      0.55720126      0.07161033      2.67255544
  H      1.32164733      3.83264934      3.89178706
  O     -3.31230146      3.94210232      0.14329524
  H     -0.45235641      0.72694363      3.65723988
  H      2.36517184      4.67863944     -0.35977909
  O     -2.01442141      4.01195401      4.13398152
  H     -3.79509687     -0.20498834     -3.40669780
  H      2.51387954      5.55666974      0.89297768
  O     -2.21144054      1.58318662      1.05508516
  H     -3.57436483      1.15782805     -2.70782053
  H      0.58339993      3.72566614     -0.35689412
  O      0.69633429      4.44001638      3.47838690
  H      1.56107286     -0.38241197      0.48859811
  H      0.91920333      3.13280857     -1.73387774
  O      2.95579164      4.86811965      0.38251974
  H      0.04382022     -0.54356293      0.33272710
  H     -0.29861511      1.81933388     -3.62748153
  O      0.85475771      3.96993587     -1.25686777
  H      2.93344229      2.31697669      2.37314686
  H     -1.74912498      1.36708673     -3.87599623
  O     -1.09554796      2.03140737     -4.12941625
  H      3.05877837      3.23083491      1.10580011
  H      3.86165127      0.07338176     -0.68203215
  O      2.98751437      0.42933860     -0.54600104
  H     -0.34173911      6.81698997      1.16978152
  H      3.06587697      1.10683371      0.14862739
          69
 Energy    -250.81473993071830     
  O     11.33249068      9.10529603    -15.47257650
  H     10.46594477      9.18441142    -15.86185435
  H     19.32292032     11.27903849    -13.55918857
  O     17.37655471      8.05266765    -13.13950988
  H     11.54753755      9.97160525    -15.08186384
  H     14.18071421     12.68655394    -17.20036254
  O     15.97508666     11.52465009    -10.97882983
  H     16.65257741      8.61756326    -13.45741195
  H     15.01331217     12.12397448    -16.02564217
  O     16.41521477     12.02234238    -14.96172768
  H     17.90537418      7.85573432    -13.92075255
  H     14.72214569      9.96409784    -13.45250134
  O     15.81479384      7.06501267    -16.30900363
  H     16.30385696     12.29948490    -11.44922271
  H     14.88208758      9.33332612    -14.87164840
  O     13.54964407      8.16748826     -8.60562723
  H     16.68782947     10.86930936    -11.02487231
  H     11.85112513      7.73084765    -14.32061696
  O     15.47123684      6.40420373    -12.03543704
  H     16.13447418     11.17372260    -14.58503483
  H     12.42265956      7.42556733    -12.91073552
  O     13.63895895     10.67924950    -12.21655848
  H     16.65648774     12.59191123    -14.22085467
  H     18.27853908      8.09982962     -7.94044608
  O     18.93361124     10.62496081    -15.23816001
  H     15.17571136      7.74432792    -16.56014143
  H     17.08901016      7.67572799     -8.83610365
  O     15.83503830      6.53444454     -9.24518900
  H     15.35458059      6.48068835    -15.69400493
  H     13.53132461      6.00215064    -14.26145768
  O     18.36818790      7.82162597    -15.74061618
  H     12.97866548      8.21318518     -7.84393672
  H     14.01638060      4.58704372    -14.65618587
  O     19.30802119     11.68522502    -12.67994256
  H     14.15453427      8.92971781     -8.55212726
  H     17.54183059     14.32045409    -12.51633134
  O     14.18408860     12.01594651    -16.52232938
  H     15.11239694      5.94012716    -12.80118363
  H     18.06286703     12.86644478    -12.64258539
  O     15.36511336      9.62277781    -14.08833229
  H     16.22001279      6.92084407    -12.36690371
  H     18.07812595      9.24413157    -10.23103431
  O     12.23587307      7.03521199    -13.77462874
  H     14.38551923     11.03772403    -11.71622417
  H     17.92070567      9.06849995    -11.77358427
  O     17.69255854      8.41053255     -8.62507255
  H     13.43602507      9.80423043    -11.85496353
  H     16.23797862      9.66514022     -8.46813310
  O     14.32371679      5.46543699    -14.44693762
  H     18.73977155      9.70944534    -15.46960249
  H     15.52617234     10.76175072     -9.28643237
  O     17.25922043     13.42113312    -12.65586715
  H     18.11367422     11.11764078    -15.36288520
  H     14.07506397      7.53631439    -11.60264099
  O     18.09151831      9.71464568    -11.07286676
  H     15.00259848      6.93243295     -8.96230359
  H     13.23662496      8.07249889    -10.41474553
  O     15.40515006     10.14680627     -8.55247407
  H     15.73496366      6.33870496    -10.18656956
  H     12.64684547     11.31953704    -13.63724865
  O     13.29777924      8.06800905    -11.37824542
  H     17.47013877      7.54887017    -16.00038687
  H     12.85054951     11.78731727    -15.10521332
  O     12.19188145     11.46487749    -14.47906128
  H     18.97343687      7.29507736    -16.25592463
  H     13.04184195      9.03658094    -16.25519805
  O     13.96396838      9.17779398    -16.50599023
  H     19.05609243     10.98919201    -12.05940372
  H     14.05438686     10.12387590    -16.67955447
          69
 Energy    -250.81394993203361     
  O     12.09555995      2.93596088    -11.68274034
  H     11.40863190      2.28070656    -11.78304809
  H     15.43142154      8.26141561    -15.47205250
  O     17.52611400      5.66481953    -13.75011330
  H     11.64952110      3.79885322    -11.63916114
  H     10.10589713      7.46606392     -8.76878449
  O     14.59001565      8.45901190    -10.52421049
  H     17.00784351      6.26452247    -14.30123773
  H     11.56062591      6.96691535     -8.95629716
  O     12.25941626     11.26260090    -12.98074247
  H     17.91683052      6.21660364    -13.06186981
  H     13.07716860      5.80252898    -11.31685507
  O     18.40572238      7.56628688    -11.79611634
  H     14.41578500      7.57295251    -10.88301808
  H     13.95720058      6.04423566    -12.55773259
  O     16.69410475      3.17967654    -13.08665167
  H     14.86999437      8.32921912     -9.61067380
  H     14.87152756      3.22337625    -13.59981032
  O     12.03259818      9.09531608    -11.29600371
  H     11.78207590     12.02218728    -12.65604894
  H     13.39910596      3.16750440    -13.11567727
  O     11.91880759      9.58625612    -15.26816986
  H     12.12548827     10.55125068    -12.33275737
  H     15.76418835      7.86309550     -7.18435506
  O     15.86460940      4.23682782    -10.61867084
  H     19.24741656      8.01382167    -11.84129448
  H     16.13754960      7.09210091     -8.47288602
  O     14.98325788     11.11385393    -13.92665153
  H     17.73140728      8.21607669    -12.05819972
  H     13.00086229      3.24879892     -9.98278433
  O     14.42950141      9.58978775    -16.31096745
  H     17.02124808      4.05390904    -13.36769584
  H     14.40974228      3.67684682     -9.56512309
  O     15.83358473      7.64001622    -14.85165979
  H     17.33683326      2.53867082    -13.37751653
  H     15.73069730      8.98388542    -11.79215166
  O     10.80001247      7.37259818     -9.41512667
  H     12.95224828      8.97483063    -11.01522476
  H     15.96132514      9.95723673    -12.98272381
  O     13.97101077      6.03574474    -11.59132666
  H     11.49536632      8.62503851    -10.64689020
  H     17.74324152      6.73114724    -10.20696459
  O     13.96141690      3.41258905    -13.86028650
  H     11.93962388     10.26196416    -14.57877720
  H     16.90634880      5.49669587     -9.80571333
  O     15.41273842      7.55722497     -8.01567298
  H     11.57721956      8.79330381    -14.83685312
  H     13.75889557      6.58144237     -8.14049341
  O     13.50097570      3.60925798     -9.24181066
  H     15.21358392      4.86344692    -10.97172516
  H     13.09220186      5.23964108     -8.55139261
  O     16.32203061      9.17936282    -12.53306375
  H     16.20829126      3.75177510    -11.37786691
  H     14.41474931      6.51826713    -14.62059601
  O     17.31211107      6.30396118     -9.45822785
  H     14.86009189     10.72386975    -14.80103601
  H     13.75096910      5.10682131    -14.33681093
  O     12.90981277      6.16009607     -8.31141731
  H     14.09594228     11.25501772    -13.57468029
  H     10.87255219      6.04573809    -10.73833514
  O     13.61151105      6.06657066    -14.33309033
  H     14.40395685      9.85340057    -17.22687767
  H     11.05243868      6.05225137    -12.27641753
  O     11.12387251      5.49447389    -11.48939558
  H     13.50510051      9.53704932    -16.00903923
  H     12.14835590      6.94463414    -13.88048444
  O     11.36644281      7.40157300    -13.52738559
  H     15.99297715      8.13969253    -14.03817464
  H     11.66291412      7.98524544    -12.81540839
          69
 Energy    -250.81371307608873     
  O     13.42213317     11.81261686    -13.51246987
  H     14.26129103     12.26678519    -13.65354077
  H     13.02626338      6.58229990    -15.96482474
  O     14.98922684      6.03551617    -13.94059829
  H     13.33377590     11.21942783    -14.27197761
  H     20.04721810      5.37924075    -15.09701545
  O     18.40010891      8.27878666    -11.67255100
  H     14.57751365      5.86162308    -14.79631588
  H     19.69297921      6.78787055    -14.55555774
  O     19.22105549     10.01256061    -16.13008968
  H     14.31555297      6.42338464    -13.36166921
  H     16.23367151     11.16551712    -16.97828671
  O     12.10741425      7.66864200    -14.96588936
  H     18.20089959      8.25526517    -10.72836282
  H     16.59935063     11.92721529    -15.67076160
  O     14.82611304      8.68833282     -9.25554040
  H     18.04397362      7.45930628    -12.04654222
  H     15.56592291      7.69080585    -14.42798308
  O     13.18923733      7.37748755    -12.33610661
  H     19.90775156     10.44309498    -16.63325321
  H     16.52613205      8.30481216    -15.46664975
  O     16.79653270     10.19398870    -12.83202218
  H     18.42715326     10.57057027    -16.21376039
  H     16.87931969      6.29539383     -9.69087700
  O     15.36718099      7.71075516    -18.02241434
  H     12.46436521      8.53498599    -15.20842228
  H     16.84709271      5.50945930    -11.01627536
  O     13.78097967      6.08888453     -9.91492270
  H     12.27429873      7.56624142    -14.02050610
  H     19.62407743      8.48175913    -13.10335509
  O     17.81065646      7.63986601    -16.63457709
  H     14.55504219      9.22705576    -10.01125883
  H     19.78504273      9.04472596    -14.54721786
  O     13.65872248      6.00113781    -16.42614989
  H     14.35803326      7.85011978     -9.35146463
  H     16.58622121      5.84107404    -13.17769522
  O     19.31510687      5.95874570    -14.90381112
  H     13.25051906      6.88783098    -11.50606872
  H     18.10383453      5.74035948    -13.47003096
  O     16.96971135     11.45936475    -16.42891123
  H     13.51221792      8.27136603    -12.15128561
  H     16.52478160      8.33960412     -9.08633612
  O     15.88766855      8.53036083    -14.77951641
  H     16.49626962      9.65058994    -13.57825840
  H     17.77070295      8.22561452     -8.17567863
  O     16.44157121      5.56255824    -10.14120984
  H     17.41927944      9.64356848    -12.34185225
  H     15.03340363      9.42593565    -18.10896948
  O     20.09225937      8.36049462    -13.93993083
  H     16.26119129      7.57756712    -17.67928059
  H     14.60975269     10.66162802    -18.93807851
  O     17.46089812      5.85695141    -12.76101305
  H     14.79173642      7.12547959    -17.51553727
  H     15.15840759      9.95595858    -11.99572424
  O     17.44813356      8.03027326     -9.05113381
  H     13.35843003      5.43169548     -9.36866194
  H     13.77801051     10.59163158    -12.20529223
  O     14.86297601     10.38409009    -18.06195969
  H     14.71168278      5.81839093    -10.01180663
  H     16.46115243     11.81528756    -13.47419603
  O     14.23541055      9.89262237    -11.71732237
  H     18.26806611      6.95212490    -16.13534608
  H     16.60746053     13.35313961    -13.52600722
  O     16.17067424     12.61565487    -13.94533649
  H     18.36516067      8.43078561    -16.58740846
  H     13.83296207     10.20962777    -16.49241207
  O     13.60861765      9.93824382    -15.59501048
  H     13.14517115      5.31758388    -16.84899028
  H     14.39125277      9.46623236    -15.27328578
          69
 Energy    -250.81289300506151     
  O     15.40844063      8.64179388    -15.65282413
  H     16.07848639      8.46600877    -14.97741966
  H     12.42156176      9.56902040    -13.97314101
  O     14.56673960     12.24063010    -14.97214965
  H     14.65368252      9.02168806    -15.18851459
  H     16.56182154      9.11090868    -18.54087583
  O     20.47608353     10.17235032    -10.70403942
  H     13.94001250     11.55228769    -14.72265322
  H     16.09945262      9.32502192    -17.08061850
  O     20.58879031     12.37400759    -12.30474851
  H     15.42190813     11.92721905    -14.64005252
  H     16.73101614     12.33004277    -10.90018745
  O     14.54471169      9.86074949    -11.67049460
  H     20.58419268     11.01321026    -11.17966797
  H     15.77898915     12.48054139     -9.69330543
  O     17.83531429      9.59641909     -9.81456377
  H     21.26928552     10.04674493    -10.18835813
  H     19.98455054     11.11976285    -15.41228469
  O     17.29070236      8.51645654    -13.58284784
  H     20.62708471     11.92530411    -13.16159865
  H     21.19621151     12.04777198    -15.22206898
  O     15.25165694     12.30319652    -17.68924460
  H     20.74266912     13.31225975    -12.48816168
  H     16.91563043      8.33647826    -10.55130714
  O     18.77230207     13.88797475    -16.60053630
  H     15.03894703      9.06524257    -11.43710593
  H     16.28798556      6.91943610    -10.56862229
  O     20.70703992     14.92111243    -13.30816972
  H     15.00578727     10.59068917    -11.24146945
  H     15.96584473     13.86508741    -17.82071235
  O     18.40702819     11.16959720    -16.30195891
  H     17.31313793     10.40614635     -9.87658604
  H     16.06610310     15.24884398    -18.50833111
  O     13.31497660      9.87987907    -14.09182408
  H     18.73718491      9.81755205    -10.07645694
  H     18.28376343     14.50117155    -14.88084709
  O     16.53599714      9.75505964    -17.83900677
  H     18.25621434      8.57701878    -13.52979235
  H     16.99316361     15.03790083    -14.25578072
  O     16.14137179     11.84117762    -10.30194214
  H     16.97490988      8.15224485    -12.74734606
  H     20.51062687     13.94696118    -16.23637053
  O     20.77378214     11.25638311    -14.86695132
  H     14.91219084     12.26071367    -16.78394160
  H     22.00015274     14.19574967    -16.56857870
  O     16.33807868      7.73574139    -11.05740530
  H     15.65489875     11.44488274    -17.86014454
  H     20.19619393      9.24648769    -12.39443388
  O     16.38095884     14.74585450    -17.76251174
  H     18.61582542     12.93198534    -16.57752651
  H     20.39982918      9.61589953    -13.87725347
  O     17.92480247     14.85992753    -14.05895746
  H     18.02565728     14.28119125    -17.06981849
  H     16.99420285     10.30934766    -13.74483675
  O     21.41678046     13.86028502    -15.89253420
  H     21.06995691     14.68798432    -14.17227975
  H     17.29305759     11.78120730    -13.28646978
  O     19.99048633      8.96589512    -13.29390390
  H     19.77668133     15.12835389    -13.46430723
  H     14.95462505     14.10103951    -14.94271157
  O     16.95033598     11.23937578    -14.00610320
  H     17.89499886     10.65139210    -16.93278555
  H     15.61484850     15.03549652    -15.96938619
  O     15.36626498     14.97035843    -15.03941133
  H     17.87627536     11.21155130    -15.49035977
  H     17.81872054     13.71129959    -12.69094973
  O     17.88378289     12.98300587    -12.05568511
  H     13.72863971      9.88263412    -13.20985737
  H     18.81641998     12.73431275    -12.02269693
          69
 Energy    -250.81173345262553     
  O     -1.29594945     -1.74573618     -1.44406298
  H     -0.56601501     -1.36571007     -0.94142711
  H      0.25616681     -1.17539491      3.78863274
  O     -2.67645136     -0.53901082      2.03751288
  H     -2.05654069     -1.16645150     -1.29077196
  H     -3.20957006     -2.88098014      4.51957007
  O     -5.78064713     -3.01730326      2.48533063
  H     -2.25748688     -1.40812870      2.02390739
  H     -4.27655672     -3.46191902      3.53662264
  O      1.13503552     -2.31562744      6.42900997
  H     -2.09512736      0.09698279      2.47108858
  H     -3.65284417     -0.17130581      5.59117339
  O     -2.38978597     -4.07744332     -0.66285400
  H     -5.46451513     -2.92670185      1.56786587
  H     -4.75905101      0.27037573      4.61574820
  O      0.80827280     -2.28591273      2.40514433
  H     -6.60849706     -3.48883548      2.44399851
  H      0.82452893     -1.12708492      0.98604392
  O     -2.47436343     -1.61745114      5.63970667
  H      0.80184683     -1.58685113      5.88558608
  H      1.59696680     -0.36043601     -0.10159315
  O     -4.81192009     -2.70418579     -0.02856047
  H      1.41452721     -2.99002572      5.79784934
  H     -4.24130587      2.68307691      2.76934667
  O     -0.64438223      2.00493039      0.65635228
  H     -2.17576842     -4.81123730     -1.23154124
  H     -5.08651382      1.53127739      2.20277742
  O     -1.13808057      1.49199801      3.27881858
  H     -1.95112290     -3.28967991     -1.03558022
  H      1.92160396     -5.06615633      4.31781250
  O     -1.68850886     -3.14918631      1.87738629
  H     -0.06567365     -2.64652106      2.17899438
  H      0.49271085     -4.52942102      4.55730066
  O     -0.08639816     -0.66458279      4.53320533
  H      1.21059540     -2.94318137      2.98582268
  H     -4.34325073     -0.34877252      2.62979756
  O     -3.41712219     -3.63076264      3.94164657
  H     -1.67484800     -1.27186723      5.21678175
  H     -5.65276584     -1.12804701      2.81616026
  O     -4.24384602      0.56276293      5.38051280
  H     -2.17343049     -2.13382326      6.39744483
  H     -3.19006333     -0.35142282      0.34014844
  O      0.71491204     -0.55531468      0.21018038
  H     -4.09498361     -3.28785946     -0.30406341
  H     -3.53874315      0.69051352     -0.72980132
  O     -4.68187845      2.37590944      1.96752415
  H     -4.54347949     -1.81927730     -0.30873335
  H     -3.36601330      3.60510317      5.03636689
  O      1.40177810     -4.26665447      4.32565652
  H     -1.48683787      2.13352426      0.20312305
  H     -3.63619198      2.09115221      4.84960456
  O     -5.26909839     -0.24987056      2.90644892
  H     -0.28989439      1.15070575      0.38353329
  H     -1.19333521     -4.46908131      6.03435739
  O     -3.49210727     -0.25995199     -0.57776055
  H     -1.81043748      2.07134198      3.65654653
  H     -1.95713365     -4.64341958      4.71390791
  O     -3.28863328      2.89007390      4.41115312
  H     -0.90294761      1.82070652      2.39803736
  H     -0.29674443     -2.91193370      7.25144660
  O     -1.13404968     -4.87543399      5.15993761
  H     -1.94803002     -3.56206977      1.04507940
  H     -1.12655523     -3.38178362      8.47207189
  O     -1.16259700     -3.26407201      7.52714468
  H     -2.29967753     -3.43513991      2.57059117
  H     -3.56398322      3.29773462     -0.84590914
  O     -3.30039998      2.51505937     -0.36989825
  H     -0.35194769      0.19733111      4.18178776
  H     -3.81315054      2.50608999      0.45878829
          69
 Energy    -250.81119280120197     
  O     11.91925364     10.21820395    -15.01796107
  H     12.36995133     11.04129980    -14.79889007
  H     15.63839113     10.44814009    -15.21122280
  O     16.43895870      6.77550992    -13.22921522
  H     11.66738767      9.80178816    -14.18371854
  H     15.61079900      8.19967024    -14.00051720
  O     17.32897497     10.94296429    -11.83047002
  H     17.19959780      7.27820406    -12.90835869
  H     14.49026832      8.68781704    -14.96564292
  O     13.30901268      5.79141575    -15.84946618
  H     15.80693944      6.69163759    -12.50266072
  H     10.28650621      8.54645448    -12.50421361
  O     15.07508105      9.16355943     -8.60457630
  H     17.42916400     10.91097048    -10.87080328
  H     11.61927603      7.86866878    -12.89924800
  O     14.51838797      6.71022717    -11.23622545
  H     16.37766337     10.98863579    -12.00142690
  H     18.52326104      7.95298616    -10.70092823
  O     14.62490060     10.89679045    -12.43954600
  H     13.28001070      6.71722164    -16.14874139
  H     18.15081757      8.77390074     -9.45400509
  O     17.29182233      8.12047806    -16.97549870
  H     12.77488637      5.28851357    -16.45951687
  H     12.80112193      6.09384873    -14.04493095
  O     16.11253496      6.50509590     -8.94486827
  H     15.33278304      8.23342569     -8.58503538
  H     13.20103647      6.29815560    -12.55541948
  O     16.18888878      5.86067285    -15.83404555
  H     14.34023986      9.22396871     -9.22851478
  H     17.97821173     11.47699083    -13.53823390
  O     19.30659680      9.11068252    -15.14089384
  H     14.10883605      7.57259927    -11.07929744
  H     17.39099344     11.58788951    -14.96700331
  O     15.70948495     11.23955892    -15.76855383
  H     15.01441639      6.49559928    -10.43624993
  H     18.88882239      8.58045310    -13.38201214
  O     15.11299253      8.97450552    -14.28702328
  H     14.74279540     10.14325179    -13.04319551
  H     18.08090863      9.32617795    -12.29178880
  O     11.20925693      8.72324258    -12.66999525
  H     14.22137270     11.59696086    -12.96449592
  H     17.61835782     11.03886752     -8.29773484
  O     18.30994774      7.87298063     -9.76220454
  H     16.94514876      7.28159766    -16.63522221
  H     16.53187198     10.09601570     -8.86738701
  O     12.47907509      6.39845918    -13.18861922
  H     17.98569030      8.40278112    -16.37096374
  H     16.11118027      9.09275426    -17.71026406
  O     18.21786159     11.51189107    -14.47379512
  H     16.94380438      6.91660478     -9.24311652
  H     15.51422539      9.71023240    -19.00062931
  O     18.49438149      8.47732368    -12.50733394
  H     16.35060268      5.81437171     -8.33273017
  H     13.75275825      9.88207780    -11.25765760
  O     17.39659125     10.50368185     -9.05495843
  H     16.36054962      6.03110143    -14.89655938
  H     12.45380572      9.06243321    -11.28078863
  O     15.39743710      9.66382306    -18.05638233
  H     15.24038940      5.70221306    -15.89308954
  H     13.51875997     13.43360236    -14.72750165
  O     13.26388377      9.19885896    -10.77500769
  H     18.97841033     10.00917099    -14.95691811
  H     14.36146732     12.17161094    -15.02938308
  O     13.61461867     12.51090575    -14.50664153
  H     20.19818740      9.20509641    -15.46735015
  H     13.97011235      8.88126974    -17.09419661
  O     13.38626126      8.43953975    -16.46597732
  H     15.63575673     10.91146639    -16.67304053
  H     12.79099944      9.09597856    -16.07038177
          69
 Energy    -250.80973907460071     
  O     12.39283586      3.34654701    -12.47705511
  H     11.87713056      3.26557299    -11.66719304
  H     19.48118171      7.12345607    -15.74537589
  O     17.66278204      4.67548006    -10.25056344
  H     12.94434468      4.13123289    -12.33712120
  H     17.54356412      6.72473444    -12.31890306
  O     14.13937433      8.07934328    -11.61635226
  H     17.15051019      3.85978705    -10.27038373
  H     18.34130909      6.30734492    -13.57583862
  O     15.44148925      9.82697446    -15.48641393
  H     17.85147946      4.92645799    -11.16389753
  H     10.28238702      7.64241783    -13.86957037
  O     17.27265212      6.97315846     -8.88123871
  H     13.58948538      8.30702726    -10.85833682
  H     11.82277261      7.61186741    -13.82431438
  O     14.06438094      4.15177886     -9.25159473
  H     14.13861833      7.10842539    -11.67763948
  H     14.29784456      4.98546407    -10.89846814
  O     15.98887590      2.32465649    -10.14457982
  H     15.49235651     10.68541700    -15.89796567
  H     14.87992295      4.99139243    -12.36073641
  O     13.43626112      8.32747447    -14.22830607
  H     16.18428760      9.77207149    -14.85804095
  H     15.34725486      2.71196548    -13.12422852
  O     16.40123138      7.30508907    -16.50208422
  H     17.97355863      7.08633236     -8.24456320
  H     13.96879950      2.27393175    -12.60159937
  O     11.33340251      3.75423884     -9.88961592
  H     17.42066938      6.11009190     -9.30969125
  H     13.24227971      7.69912371     -8.87404131
  O     17.55217155      9.46668432    -13.82045374
  H     14.66003763      3.41552352     -9.44142145
  H     12.26179734      8.88568260     -8.70065849
  O     18.74775406      7.20840907    -15.14256522
  H     13.15212416      3.86731825     -9.39465888
  H     11.01426096      6.56684021    -11.68324957
  O     17.92063202      5.96091352    -12.77876565
  H     16.34655940      1.49906665     -9.82937022
  H     11.46559935      6.98712732    -10.26321327
  O     11.02388432      7.14375510    -13.53222940
  H     15.61900315      2.15154910    -11.02914006
  H     17.08902843      7.91191097    -10.49893302
  O     14.22153342      5.38656781    -11.77395297
  H     14.02546257      8.92508583    -14.70426062
  H     15.92624243      8.22323962    -11.47044126
  O     14.90439017      2.03496107    -12.59158446
  H     13.71520425      8.33786408    -13.29912237
  H     15.44162063      6.86808038     -8.40726845
  O     12.55643345      8.22763679     -9.32367710
  H     16.04944781      8.18630808    -16.32644744
  H     14.35096994      5.77960561     -8.47910073
  O     10.99896289      6.30114238    -10.75624431
  H     15.68733362      6.69156494    -16.28308620
  H     15.38776182      4.84801582    -14.39188638
  O     16.89135840      8.18832227    -11.40182838
  H     11.16943532      4.67007309    -10.18304226
  H     16.66972445      4.87939612    -13.49421822
  O     14.50259973      6.70894592     -8.25630792
  H     10.56218073      3.47961157     -9.40170985
  H     11.42236418      5.47748614    -14.46568484
  O     15.90054323      4.34859754    -13.74035222
  H     17.38853389      9.15403849    -12.92073941
  H     11.91330810      4.06003152    -14.15733877
  O     11.81888164      4.69930753    -14.87580760
  H     18.09749739      8.79098115    -14.24184823
  H     13.44573821      5.35290255    -15.37541706
  O     14.26289671      5.87158103    -15.38284617
  H     17.93597448      7.17650031    -15.68070008
  H     14.03360285      6.71445524    -14.96920273
          69
 Energy    -250.80943651868000     
  O     10.84040305     10.72071679    -11.38953744
  H     10.51415451     11.55028966    -11.05014600
  H     16.39831196      5.58382388    -15.48445955
  O     13.74304271      7.11544483    -15.03207775
  H     11.68254988     10.91421427    -11.83396278
  H     14.34185712     11.98921073    -14.01174005
  O     17.65275219      9.37855850    -10.77190602
  H     14.18685613      6.78247482    -15.81936006
  H     14.45050817     11.92137276    -15.54700257
  O     12.29930259      9.45363871    -14.98209554
  H     14.44966501      7.49964265    -14.48463004
  H     15.47401004      8.64090660    -12.73101877
  O     15.82433783      5.50961746    -10.46928217
  H     17.89633662      8.47351351    -10.53986363
  H     16.52600404      7.68003391    -13.37617638
  O     12.82500323      5.70619990    -12.87124977
  H     18.17551697      9.59535090    -11.55268842
  H     11.00033191      9.07913201    -10.41787796
  O     14.96100929      9.52484094    -11.26851291
  H     12.74976833      8.60077872    -15.05277883
  H     10.67659860      7.60061818    -10.70657423
  O     15.84505668      9.20374899    -17.15549081
  H     11.43347208      9.29687446    -14.57788155
  H     18.33625213      6.74854113    -12.28921984
  O     15.07472586      4.02587487    -12.80024477
  H     15.60136837      4.94391134    -11.21795588
  H     18.67751122      7.82524063    -13.34427978
  O     16.94026779     10.34985135    -14.80435319
  H     15.06676567      6.09517329    -10.33653556
  H     11.12283854      6.11448298    -12.45462208
  O     15.62634884      6.49738222    -17.00843812
  H     13.49194661      5.01251786    -12.79594949
  H      9.65235904      5.71837955    -12.19882483
  O     16.69125481      5.13564682    -14.68261492
  H     13.04459774      6.18995105    -13.68133973
  H     19.88118483     10.17486122    -13.47263982
  O     14.92091901     12.20586976    -14.75335824
  H     15.87842295      9.55852343    -10.95900224
  H     18.39652381     10.02043081    -13.87465097
  O     15.72789318      8.19384502    -13.54974869
  H     14.52613455      8.74630056    -10.89210954
  H     18.81873956      6.18423731     -9.79345230
  O     11.10522225      8.18519047    -10.06874487
  H     15.05518090      9.75561522    -17.20910736
  H     17.39095377      6.18757988    -10.39273876
  O     18.25257871      6.96568912    -13.22791594
  H     16.39529173      9.61856236    -16.47942699
  H     12.92514859     11.27493883    -17.54885348
  O     10.24794990      6.46351031    -12.21789617
  H     15.17723822      3.07925223    -12.85518565
  H     13.01601403     10.40515086    -16.27401152
  O     19.09259874      9.67045592    -13.29155015
  H     15.63962123      4.40753522    -13.49578679
  H     12.77858157      7.55680706    -10.22794015
  O     18.27059992      6.60397477    -10.45030224
  H     16.45356171      9.60599276    -14.41818692
  H     13.37723492      6.74128796    -11.39401564
  O     13.54244112     10.89965733    -16.92612178
  H     16.34578469     11.11318309    -14.76452047
  H     12.96285945     10.42288659    -13.53001063
  O     13.61064804      7.21106617    -10.58270721
  H     15.69128924      6.13559418    -17.88816713
  H     13.84426729     10.53393814    -12.23521646
  O     13.20025427     11.00004004    -12.79011635
  H     15.75253374      7.45957637    -17.09477320
  H     10.01848838      8.11615270    -13.13737578
  O     10.03545542      8.99807637    -13.52901386
  H     17.36631555      5.69815318    -14.27953545
  H     10.14803533      9.61300925    -12.79281833
          69
 Ord_Energy   -250.809021    
 O   -3.53595114       5.93290091       6.44410896    
 H   -4.48740482       6.03181982       6.31665897    
 H   -3.38209486       5.84932804       7.39682007    
 O   -2.85083723      0.823479354       8.72973156    
 H   -3.12123489      0.285426289       9.47017384    
 H   -3.65880275       1.21885109       8.35947609    
 O    2.10228968       5.06994200       8.02601528    
 H    1.47226882       4.55339718       7.49352264    
 H    2.97603297       4.79459190       7.76149940    
 O   -2.41585231     -0.292028129       6.07389450    
 H   -2.50543261      -5.72543591E-02   7.00307035    
 H   -1.74622452      0.312971801       5.72363806    
 O   -1.42817891       3.27364969       8.91072655    
 H  -0.927425981       3.41310430       8.09502983    
 H   -1.82043815       2.39385772       8.87150478    
 O   -4.28224134      0.193134338       4.06785250    
 H   -5.09716082      0.476564556       4.49500656    
 H   -3.66857004      -6.06402718E-02   4.77258968    
 O   -6.52023411       3.91463637       4.41602468    
 H   -5.77892542       3.93173146       3.79547834    
 H   -6.61789083       2.99799538       4.69968748    
 O   -1.66510177       5.23802519       2.80064702    
 H   -1.41924155       5.91855860       2.17787743    
 H   -1.38247645       5.55441952       3.67428827    
 O   -1.04303992       6.11765718       5.34397030    
 H   -1.95124042       6.15785646       5.68015051    
 H  -0.505252302       6.65514851       5.94411516    
 O   -4.91469669       2.11810207       7.48599339    
 H   -4.32781458       2.47112155       6.79845285    
 H   -5.26024055       2.87410975       7.98402214    
 O  -0.945066571       1.86685789       5.10943985    
 H  -0.790758073       1.97796667       4.16053820    
 H   -1.78179598       2.31695962       5.30592918    
 O   -1.02085578       7.21711063       9.91024971    
 H  -0.484355092       6.43893909       10.1480961    
 H  -0.923531711       7.84635735       10.6201220    
 O   -3.09544683       5.48301411       9.12196064    
 H   -2.50872946       6.17506218       9.45041275    
 H   -2.56947732       4.66970587       9.09149456    
 O   -3.30016947       3.28856206       5.58746099    
 H   -3.32828259       4.19125605       5.93072605    
 H   -3.64887714       3.33426523       4.68757343    
 O    9.82256532E-02   3.85918045       6.61432409    
 H   -9.12973732E-02   3.07520890       6.07975388    
 H  -0.300175339       4.61259508       6.15845108    
 O   -3.42475057       1.36716044       1.81653643    
 H   -3.71382880      0.881668150       2.61201143    
 H   -3.67522120      0.837701559       1.06492722    
 O   0.402592301       4.93569422       10.3021765    
 H  -0.199465707       4.24267387       9.99929047    
 H    1.11856985       4.95972204       9.65401459    
 O   -4.12551928       3.81052613       2.95795107    
 H   -3.35693908       4.38434505       2.84640241    
 H   -3.94895124       2.99892688       2.46200180    
 O   -5.70698547       4.43357897       8.69451523    
 H   -4.89431953       4.85576057       9.00344372    
 H   -6.02219725       4.96606970       7.95318556    
 O   -6.32554197       5.86572266       6.27606201    
 H   -7.00338268       6.51754904       6.11997461    
 H   -6.44584703       5.16959143       5.60533905    
 O   0.382581860       7.29330015       7.37462664    
 H    1.09591746       6.68447685       7.60252380    
 H  -0.136261240       7.39504623       8.18166351    
 O   -6.56107712       1.24325311       5.47385359    
 H   -7.31232023      0.732567728       5.76581430    
 H   -6.05530691       1.47859156       6.26994562    
 O  -0.863333285       2.47219610       2.43399334    
 H   -1.67411721       2.04864907       2.12244034    
 H   -1.05411255       3.41688728       2.48113155    
          69
 Energy    -250.80850371350826     
  O     12.39087471      8.24780320    -14.94657962
  H     12.33619194      9.06673606    -14.43929414
  H     11.89036817      5.10192350     -9.43961550
  O     12.79556223      9.61385942     -9.19819089
  H     13.32720982      8.07141202    -15.09789350
  H     11.60853601      5.15134368    -14.08975076
  O     16.11767642      4.47405201    -11.58797225
  H     12.15650608      9.29858359     -9.85769453
  H     12.04550486      4.00441957    -13.10275888
  O     11.69379018      2.93334078    -11.72920619
  H     12.28794112     10.02797655     -8.50392879
  H     12.77952279      5.99170724    -12.43368315
  O     14.58722036      7.40342726     -8.65370296
  H     16.98281200      4.19449942    -11.91409561
  H     13.01513130      6.19157385    -10.90464194
  O     17.99674935      7.53576328    -15.04486476
  H     16.23199072      5.35250401    -11.19565728
  H     12.77352134     10.73811905    -12.69890616
  O     14.05252143     10.79885511    -11.51113353
  H     12.53286474      2.83899203    -11.26109320
  H     11.70962496     11.39737893    -13.60874735
  O     15.03500527      4.89924620    -14.18137242
  H     11.11061384      3.42776207    -11.13924182
  H     19.30869594      3.34327205    -12.82396187
  O     10.17621017      4.69135522    -10.05852458
  H     13.97304477      6.65969378     -8.70818794
  H     18.32409391      4.15165810    -13.70441376
  O     18.62710235      6.85453757    -12.47215879
  H     14.04909225      8.19350240     -8.78184380
  H     14.28641595      7.79242490    -12.16855469
  O     14.19154681      3.02264451    -10.29715205
  H     18.22372408      7.37503075    -14.11156638
  H     15.14960544      8.21047830    -13.37746634
  O     12.83225269      5.28007155     -9.31651431
  H     18.67514381      8.10722276    -15.39483212
  H     15.98178323      7.15061167     -9.80018664
  O     12.36447671      4.69633751    -13.70111356
  H     13.74733914     10.56159178    -10.62795193
  H     16.08630676      7.57761197    -11.27473364
  O     12.99112114      6.64564130    -11.75627571
  H     14.53262254     10.02071293    -11.83402440
  H     17.82188090      5.61996377    -15.33832776
  O     12.02198444     10.55464484    -13.29073389
  H     14.08395342      4.72546232    -14.14473720
  H     16.67877815      4.63717175    -15.03298830
  O     18.60832824      3.98837221    -12.78665404
  H     15.36732904      4.79139584    -13.28072765
  H     11.81213073      7.97005498    -11.51648761
  O     15.00806420      8.38151109    -12.43898755
  H      9.39372471      4.47146600     -9.55982663
  H     11.34673338      9.36854552    -12.00241870
  O     16.51400899      7.02980260    -10.59896359
  H      9.90526824      5.34671851    -10.72564884
  H     15.07444215      6.60728986    -14.80505688
  O     17.62774198      4.68213588    -15.21886727
  H     18.77910460      5.90214005    -12.49480992
  H     16.12013135      7.66052593    -15.21860036
  O     11.21731632      8.70930401    -11.30877005
  H     18.03905277      7.00627610    -11.72095298
  H     11.09163475      7.11137959    -14.76840586
  O     15.17428911      7.53431918    -15.07123862
  H     14.61313854      2.30025188     -9.83822961
  H      9.86654130      6.42994956    -15.42261055
  O     10.39302565      6.44606663    -14.62778119
  H     14.89290384      3.49498288    -10.77718511
  H      9.90379765      7.40490353    -11.62917978
  O      9.50320621      6.56943886    -11.90418427
  H     13.30352254      4.46357039     -9.52996740
  H      9.70254742      6.48844300    -12.84480297
          69
 Energy    -250.80802932622049     
  O     -1.20109164      2.80551720      2.67315408
  H     -0.67598967      3.61274320      2.76953868
  H      0.82689233      1.42448819      0.19517466
  O     -2.37541541      6.38366636      0.23758350
  H     -0.56457339      2.09778115      2.51923836
  H      0.62467307      4.45898652     -3.25792684
  O      3.04138019      6.20866330     -0.04762518
  H     -1.85551763      6.85664898      0.89836199
  H     -0.66837527      3.84603727     -2.60071837
  O     -1.62434209      6.93746010     -2.44143629
  H     -2.04239568      6.63337145     -0.63440716
  H     -0.29037707      8.10706891     -2.39195489
  O      3.35841431      2.76730759     -1.60727913
  H      2.24288575      5.66328719     -0.12692112
  H      0.33864246      9.46313516     -2.78404048
  O      0.78984967      4.60519935     -0.24759568
  H      3.73071605      5.59543969      0.22957956
  H     -3.96091562      4.28391409     -3.24985031
  O     -0.69914758      7.67168917      2.11172603
  H     -1.12193933      6.13676265     -2.66426899
  H     -4.48711835      3.27236065     -2.22395883
  O     -1.60127218      2.50304353     -1.79639518
  H     -2.50276964      6.82236690     -2.82465978
  H      3.24231773      3.46444809      1.89729394
  O      0.42325687      5.08529064      2.44170014
  H      3.10475659      3.29035977     -2.37657998
  H      1.94838439      3.94131883      2.61377927
  O     -2.64693959      3.61979999      0.52447888
  H      2.56161235      2.28604264     -1.34379293
  H     -4.21195222      6.33425479     -0.25078495
  O      1.28008207      8.34755372      0.41596605
  H      0.39474369      4.82279541     -1.09923330
  H     -5.25023662      5.23622991     -0.56378219
  O      0.90263969      1.82337850     -0.68150896
  H      0.94398069      3.65148897     -0.27919981
  H     -4.85479036      6.62639547     -3.89952914
  O     -0.22474354      4.66882594     -2.85072724
  H     -0.87055344      8.38050072      2.72552808
  H     -4.58252281      6.28042317     -2.41601292
  O      0.51452590      8.64691078     -2.32222941
  H      0.02557240      7.96829021      1.53104764
  H      1.24828302      0.26529131      2.48053466
  O     -3.93363701      3.35053846     -3.01212413
  H     -1.88082620      2.85624212     -0.93804542
  H      1.58118697      1.75658505      2.22622461
  O      2.53470448      3.18351654      2.48937999
  H     -2.36754064      2.63075600     -2.37414459
  H      2.75283745      4.31876891     -4.67167885
  O     -5.03290546      6.16243026     -0.73178060
  H      0.47420558      4.93085090      1.48488097
  H      2.56647857      5.29005074     -3.47847218
  O     -4.19618873      6.26799965     -3.31045126
  H      0.06345377      5.97299505      2.53855537
  H      5.44901459      3.64814615      0.61271056
  O      0.95624521      1.04011560      2.00835086
  H     -2.49314191      4.57274942      0.46919137
  H      4.16327779      3.47645406     -0.23086564
  O      2.40165295      4.37999879     -3.78728438
  H     -2.20736860      3.28711006      1.32013125
  H     -5.70678456      2.71120383      0.07032972
  O      4.53251662      3.90560433      0.56254847
  H      2.00212729      7.70656253      0.36980750
  H     -4.30593529      3.36173691     -0.01123844
  O     -5.18835087      3.34151894     -0.42243832
  H      1.03648525      8.54302874     -0.49670300
  H      2.00672151      7.49801142     -2.71163990
  O      2.71836429      6.84903823     -2.75016197
  H      0.02839305      1.84327456     -1.09198477
  H      2.98327973      6.69219761     -1.83285215
          69
 Energy    -250.80624645962820     
  O     -4.00904469     -1.03833829      1.82866512
  H     -4.72815356     -1.17032689      2.46379646
  H      1.62987897     -4.89553825      1.76029435
  O     -4.32506924     -1.55129957      6.30887544
  H     -3.31224926     -0.56374262      2.30276181
  H      1.19223608      1.00679962      2.98683842
  O     -1.78631263      0.07678587      3.08445691
  H     -3.40074103     -1.31379757      6.12737758
  H      2.04685455     -0.25958227      2.81277755
  O      1.08146988     -0.75584084      5.82982554
  H     -4.57516145     -1.08511503      7.10291447
  H     -0.79808722     -2.91766802      2.06710767
  O     -4.05654874     -4.33516439      5.69979247
  H     -1.32184639      0.85777205      2.76268401
  H     -1.01949808     -1.81135556      0.98785954
  O     -1.71499194     -1.03349485      5.58399481
  H     -1.29769881     -0.68343346      2.72701703
  H     -2.29237850     -4.41956195      2.21049864
  O      1.35520593     -3.58279849      5.30916801
  H      1.32478152     -0.31849467      4.99447958
  H     -1.42007285     -4.39443956      3.50478439
  O     -5.59992526     -4.60843721      3.49777990
  H      1.61928520     -0.35967421      6.51084166
  H      2.23401322     -1.53814333      0.61542809
  O     -2.26464506     -1.17319247     -0.34578042
  H     -4.24144911     -3.45258264      6.04422269
  H      1.17939534     -1.77998302      1.70674725
  O      2.87065495     -3.91870503      2.90780184
  H     -3.09572931     -4.36945422      5.59762622
  H     -3.88457769     -2.86440608      1.58955433
  O      0.22601887     -3.67249858     -1.03911616
  H     -0.78601553     -0.92682908      5.82457405
  H     -4.51518271     -4.19561030      2.06970933
  O      0.93519690     -5.18793489      1.16049995
  H     -1.82041515     -0.57160861      4.73868262
  H      2.30573176     -1.52374649     -2.00487104
  O      1.75850531      0.39095623      3.46664778
  H      1.37936432     -2.63340754      5.48118507
  H      1.21603809     -2.26444503     -1.19492734
  O     -0.57515359     -2.01059046      1.82183636
  H      1.89791152     -3.73693732      4.52654055
  H     -0.03543415      1.47956172      1.03681890
  O     -1.40092029     -4.56166284      2.55181032
  H     -6.26712799     -5.27420979      3.63981633
  H     -0.06597581      2.87636425      1.69910068
  O      2.13123841     -1.64291495      1.56835652
  H     -5.03963699     -4.59749673      4.29517936
  H     -0.90690838      0.06186601     -0.52684734
  O     -3.86811057     -3.82342972      1.45676066
  H     -2.43689369     -2.01888871     -0.77691956
  H      0.61194014     -0.03662872     -0.74896812
  O      1.78518145     -1.47228493     -1.20823584
  H     -2.98821052     -1.02194625      0.27868673
  H     -3.14628438     -3.97105797     -0.20435002
  O     -0.06239022      1.94326789      1.89364499
  H      2.70976830     -3.09265081      2.42157355
  H     -3.20345508     -4.35054040     -1.69915486
  O     -0.08073936      0.55695649     -0.43611266
  H      3.80838901     -4.08873059      2.85939823
  H     -5.87453777     -2.68385193      3.71462001
  O     -2.69111676     -3.86641838     -1.05594438
  H     -0.72052141     -3.82074702     -1.11931581
  H     -5.34351128     -1.60107531      4.67181980
  O     -5.76755501     -1.73025256      3.81433423
  H      0.52918406     -4.24500714     -0.31711218
  H     -1.54669659     -2.89571868      5.29809120
  O     -1.35273127     -3.83747438      5.20962394
  H      0.11386502     -5.14440148      1.67049568
  H     -0.39239581     -3.91600265      5.31569282
          69
 Energy    -250.80387425034945     
  O     11.12890974      9.76298383    -11.47455913
  H     10.61285496     10.56437534    -11.44707286
  H     14.21637400      3.12720346    -11.42084053
  O     10.87098768      3.70557404    -11.03179388
  H     11.42680787      9.65033088    -12.39620690
  H     16.20184624      6.50128707    -13.74882477
  O     17.34164768      5.80367363    -12.56262549
  H     10.43901968      4.10264058    -11.79640325
  H     15.28663633      7.75216048    -13.95613962
  O     13.82856882      5.37208088    -15.89455972
  H     11.73241988      3.38905188    -11.33993097
  H     14.23606103      6.25775628    -12.99314540
  O     15.86409996      3.10685926    -10.66460033
  H     17.43730397      4.87867539    -12.82293249
  H     12.70082984      6.29235552    -13.03589484
  O     16.31881172     10.15715610     -9.88158973
  H     16.94184712      5.80924815    -11.68010924
  H     10.36095397      6.75467754    -10.35469701
  O     11.13239463      5.55479186     -9.06967758
  H     14.04095896      5.47640807    -16.81917122
  H     10.36559262      8.05998708    -11.19639669
  O     14.86834780      9.30594293    -13.15976480
  H     14.45755306      5.92681271    -15.39972846
  H     18.34386665      7.34082825    -12.21761836
  O     11.65163924      6.61938052    -14.53930382
  H     16.43322962      3.00789255    -11.43736058
  H     18.54623273      8.10506855    -10.89839964
  O     17.82343966      8.03453495     -9.11129029
  H     16.07355319      3.97170285    -10.28880179
  H     12.81988968      6.25216702     -9.41065238
  O     14.79691928      3.07059052    -14.42443247
  H     16.66173451     10.42432721    -10.74287156
  H     13.51775406      6.41983403    -10.78102523
  O     13.44170826      3.29405169    -11.97802165
  H     15.38390468      9.95154577    -10.01959353
  H     17.78832682      2.40487173    -13.57009078
  O     15.45463472      6.84754558    -14.25712962
  H     10.73613657      5.25161651     -8.25753916
  H     16.39525107      3.06204795    -13.71698040
  O     13.44807370      6.04196464    -12.47959955
  H     11.03787658      4.83068410     -9.71570622
  H     16.82938019      6.53304128     -9.58278653
  O      9.99746661      7.17027744    -11.14593054
  H     14.49579481      9.23894356    -12.26897661
  H     15.35847423      6.10124014     -9.82756295
  O     18.66361153      8.17707940    -11.85389848
  H     15.70089452      9.78656636    -13.06881815
  H     17.87328329      9.64134903    -12.37263822
  O     13.60717148      6.61458433     -9.83320820
  H     12.23198523      6.07735281    -15.08857532
  H     17.95095532     11.08214104    -12.93361053
  O     17.23523993      3.10040048    -13.22527829
  H     10.91974340      6.07697740    -14.21623870
  H      9.70396714      6.03009220    -12.41437851
  O     16.27904097      5.84743191     -9.98163787
  H     18.29055176      8.22453214     -8.30223843
  H      8.70956990      5.21093403    -13.27413808
  O     17.35159983     10.44338992    -12.55789218
  H     17.26764308      8.81084586     -9.30504690
  H     12.84553026      9.53204624    -10.76633758
  O      9.63840360      5.33389690    -13.09529104
  H     14.22367805      3.00587460    -13.64735038
  H     13.71222212      8.37609758    -10.20544606
  O     13.75329942      9.27244171    -10.56805634
  H     14.41829322      3.75705795    -14.98357380
  H     13.09028045      9.38298236    -13.85859584
  O     12.13011945      9.32115223    -13.94017383
  H     13.43249064      4.24653247    -12.15243956
  H     11.93124671      8.42738047    -14.25123795
          69
 Energy    -250.80317819859107     
  O     12.98284489      8.15307797    -15.64369891
  H     12.27780633      8.13180847    -16.28597970
  H     10.64538620      6.25750351    -10.85363965
  O     12.06193450      9.73763699    -11.57506954
  H     12.69019347      7.61686701    -14.88656094
  H     16.83368122      4.30390315    -12.44374675
  O     15.59274590      6.30179719    -10.37794057
  H     11.57138100      8.91941789    -11.43775260
  H     16.88530647      4.54045227    -13.95715428
  O     13.62009941      2.47754820     -9.53953751
  H     12.57338157      9.87057521    -10.76772116
  H     15.43448583      7.30207902    -13.53610269
  O     13.63565596      9.87300079     -9.16500890
  H     15.55141107      5.36386380    -10.60505827
  H     15.25423374      8.55924025    -12.65717124
  O     13.37287668     10.46997139    -13.91081591
  H     15.42256722      6.78743799    -11.20127280
  H     18.45153315      7.48292216     -9.37072223
  O     15.34970697      3.73710221    -11.34752379
  H     13.15786448      3.21795196     -9.10648710
  H     17.11061184      7.17947336    -10.07818413
  O     11.79480969      2.85502154    -11.73245429
  H     13.68093018      1.77674054     -8.89629833
  H     18.39359075      9.38237541    -15.23360567
  O     15.88850571     10.28971620    -12.92940503
  H     13.51684744     10.57838035     -8.53458771
  H     17.98171902      8.40297872    -14.10457296
  O     12.20080703      4.55778801     -8.53026301
  H     14.54574408      9.95101161     -9.50372637
  H     14.08189772      6.79736595     -9.51639328
  O     10.06818267      4.53065457    -10.46461524
  H     12.84300262     10.25970046    -13.12543290
  H     13.33087268      8.05264916     -9.01481079
  O     11.15915989      7.05554775    -11.02769095
  H     13.18090574      9.78783990    -14.56133925
  H     16.80492276      9.35517231    -10.09739316
  O     17.35405898      4.72888038    -13.13628165
  H     14.73441163      3.86762676    -12.08392788
  H     16.10523530     10.26515407    -11.13129037
  O     15.05870061      7.61465299    -12.70521835
  H     14.87552618      3.21537968    -10.68826027
  H     18.11728594      6.37107570    -12.96780025
  O     17.88426288      7.76894100    -10.08254997
  H     12.34995628      3.18830614    -12.44918406
  H     18.32925476      7.51281849    -11.94689837
  O     17.63774137      9.00600870    -14.79165502
  H     12.40146750      2.57213116    -11.03692274
  H     13.40452297      7.09204784    -13.05423359
  O     13.24027324      7.10040984     -9.14679127
  H     15.03135221     10.49568092    -13.33744371
  H     11.95244116      6.79656178    -12.61709270
  O     16.12765888     10.03398625    -10.19127344
  H     16.50149467     10.02239039    -13.62307079
  H     14.78257792      7.62470912    -15.64822065
  O     18.41302203      7.28944288    -12.88022839
  H     11.38573042      4.56817766     -9.04690015
  H     16.31566282      7.87161845    -15.41076578
  O     12.56694650      6.70614409    -13.35674942
  H     12.56063053      5.45312956     -8.58423182
  H     15.65639392      5.43685348    -15.54115397
  O     15.63235677      7.19258368    -15.48781478
  H      9.19817093      4.14301231    -10.42561511
  H     15.86565196      4.09487516    -16.28351125
  O     15.63395914      4.46963657    -15.43761744
  H     10.62581460      3.91986185    -10.97914675
  H     13.18000116      4.99965629    -13.48842049
  O     13.59424467      4.12499884    -13.50680456
  H     11.87565927      7.06394683    -10.37549143
  H     14.22432805      4.12950887    -14.23743846
          69
 Energy    -250.80278999384063     
  O     -4.59269431      4.52697088      2.77254795
  H     -5.31970439      4.72563547      3.35594657
  H     -4.43292051      4.99475524     -2.59691713
  O     -3.65584705     -2.17182945      1.39169519
  H     -3.78558374      4.87007529      3.19980522
  H     -1.41122155     -1.95114161     -1.43505243
  O     -1.04343408      4.01197844     -2.23627556
  H     -4.36964616     -2.76424198      1.61160139
  H     -1.50190484     -2.15583627     -2.96641536
  O     -3.71019054      1.89750988     -1.01620468
  H     -3.91995309     -1.70153483      0.58039362
  H     -0.58378756      3.31068620      3.20896603
  O      1.78359859      0.05426323      3.92489029
  H     -1.01180311      3.04759909     -2.27702011
  H     -0.59009633      2.66287294      4.60793808
  O     -0.98953207      2.97747603      1.49500940
  H     -1.97941534      4.24554741     -2.26740056
  H     -0.71901534      6.29323748      0.88263410
  O     -0.79213060      0.88798655      4.99789632
  H     -2.80704825      1.66154262     -1.27636465
  H     -0.94588067      7.75446397      1.33378154
  O     -4.15939399     -0.88829756     -0.95237504
  H     -3.89095298      2.75772072     -1.41392943
  H     -3.77689864      2.06619203      0.77811678
  O     -2.32326708     -0.11114228      2.77903999
  H      2.33448562     -0.64628168      4.26528525
  H     -4.06037611      2.90137311      2.08396092
  O      0.21931874     -0.72220850      1.80172602
  H      1.29690231     -0.31574172      3.16959611
  H     -1.87069891      6.03810637      3.03537955
  O      2.17632879      2.81097287      3.21352595
  H     -1.93577747      2.78824565      1.50812869
  H     -1.60875185      4.87873707      4.02895054
  O     -3.85291110      4.51722959     -2.01034082
  H     -0.81853254      3.75870148      0.95472932
  H     -1.27185202      0.27321495     -2.12049592
  O     -1.68764046     -1.53198304     -2.26990528
  H      0.08758863      0.55549022      4.78299440
  H     -0.42268648      1.21198180     -1.22256455
  O     -0.40184398      3.49171823      4.14441856
  H     -1.39145459      0.48577126      4.35587156
  H     -4.13923325      5.38544944      1.15078218
  O     -1.30931875      6.87451804      1.39211840
  H     -4.19389242      0.07598438     -0.99203362
  H     -2.94958570      6.24395043      0.67790324
  O     -3.60105354      2.13064642      1.72797505
  H     -3.42394708     -1.14560549     -1.52246338
  H      1.51855857      1.99168456      0.12686262
  O     -2.27790060      5.51220851      3.73394028
  H     -2.79136373      0.67941963      2.47572441
  H      0.09580481      1.88285823      0.68312174
  O     -1.13972954      1.19648496     -1.87211525
  H     -2.81831405     -0.86440311      2.43324687
  H     -0.51493789     -2.07109548      0.71230637
  O     -3.73434925      5.77675866      0.36729726
  H      0.48795433     -0.04785072      1.16091299
  H     -1.95064819     -2.61708166      0.62466090
  O      0.75284998      1.40827472      0.14469429
  H     -0.65547527     -0.47070664      2.13630315
  H      3.41368701      3.80452580      0.48475223
  O     -1.10583015     -2.59675784      0.15757668
  H      2.16913991      1.87718789      3.45577602
  H      2.42037289      3.34019689      1.57625186
  O      2.49851877      3.58454533      0.63537107
  H      1.39892725      3.18962390      3.64490546
  H     -0.20319697      4.73749272     -0.86618622
  O      0.13723517      5.05007826     -0.01255551
  H     -3.83459819      5.00827341     -1.16872773
  H      0.98966852      4.62886095      0.15190902
          69
 Energy    -250.80182752256684     
  O     13.72701739      9.06376994    -10.99890745
  H     13.71694181      9.68659734    -11.73895417
  H     17.76245397      4.80876445    -10.88941441
  O     14.24911537     10.10633143    -16.90285535
  H     14.18077432      9.46049497    -10.24519080
  H     12.56415132      7.68588279    -10.94088790
  O     16.58069349     11.13154298    -13.11994150
  H     13.83167071     10.86578444    -16.47749607
  H     12.14850891      6.52846609    -11.87062921
  O     12.81421302      5.79130767    -13.55677630
  H     13.98454389      9.33457145    -16.38631523
  H     20.81818911      8.48735488    -13.70757684
  O     15.70934377      7.05174241     -8.49990430
  H     16.85301701     11.05600897    -12.19435922
  H     19.34831589      8.77269601    -14.08610737
  O     16.09669149     12.85698902    -15.28522779
  H     15.66571899     10.82680242    -13.17951241
  H     14.35421944     12.65897398    -15.32267043
  O     15.82584724      7.48955242    -12.01961633
  H     13.55283278      5.41375057    -13.04885085
  H     12.88752981     13.14001992    -15.45402166
  O     13.88887314     10.36312715    -13.40908979
  H     12.38250235      5.05758605    -13.98883839
  H     14.71813296      7.79902649    -15.02617644
  O     18.38971123      8.08977812    -11.16979346
  H     15.00867666      6.43432683     -8.74261022
  H     13.32731342      7.32517924    -14.56087037
  O     17.31161673     10.61466320    -10.53284625
  H     16.54215503      6.63686406     -8.75422999
  H     17.07897637     10.88780058    -18.11133336
  O     18.52094207      5.68842834    -13.87650383
  H     16.46362141     12.31301861    -15.99259257
  H     15.94297923     10.50573948    -17.13496658
  O     17.43980393      4.35347103    -11.67481454
  H     16.37065805     12.43074991    -14.46059130
  H     13.00003282      5.84656812     -9.85762402
  O     12.09164073      6.83983306    -10.96012593
  H     15.54096256      6.57197276    -11.91919166
  H     13.11423969      4.72618541     -8.79360125
  O     19.92119098      8.21224258    -13.53584002
  H     15.12454495      8.04346688    -11.65630010
  H     15.71831418      4.54016643    -11.84838648
  O     13.42553872     12.36393146    -15.32658958
  H     13.59660432     11.09141112    -13.97023548
  H     14.45127454      4.87025544    -10.98953341
  O     13.78284106      8.05503803    -14.99545491
  H     13.82207698      9.55578979    -13.93971885
  H     18.38984177      6.77005405     -9.99367459
  O     16.86482454     10.81624622    -17.18501118
  H     17.49822789      7.88398755    -11.49511736
  H     18.98965662      5.88218126     -8.87815250
  O     13.63004283      5.29434092     -9.35946752
  H     18.97583417      8.12736432    -11.93490834
  H     17.00347522      8.20839280    -14.88208726
  O     14.80811859      4.87524859    -11.88676923
  H     16.64225024     10.40656604     -9.87034792
  H     16.22818450      7.48291876    -13.75363320
  O     18.21286583      6.00590137     -9.41819651
  H     17.81635258      9.79955298    -10.65523177
  H     15.44789375      8.76600763     -8.62440766
  O     16.43318608      7.45022722    -14.70213074
  H     17.76813617      6.09952249    -14.32017548
  H     15.04928328     10.07580897     -7.90290425
  O     15.26813583      9.71472747     -8.75768605
  H     19.15704461      6.40437366    -13.77247817
  H     17.80311592     10.06766892    -15.77380843
  O     18.08231548      9.71078370    -14.92164742
  H     17.89431935      4.74719258    -12.43458012
  H     17.61113793     10.21717475    -14.24092132
          69
 Energy    -250.80167298848522     
  O     11.97880048      6.53378888    -11.91915268
  H     12.37053120      7.14159401    -11.27663482
  H     14.66300366      5.80871878    -14.89629020
  O     17.33654833     10.00657326    -15.25451231
  H     12.61132783      5.81445544    -12.03218371
  H     16.70129749      5.70257993    -13.65545925
  O     17.43087819      8.72020765    -12.78344280
  H     16.56470380      9.65125314    -15.71960672
  H     18.21656068      5.90704696    -13.84216799
  O     16.25736659     12.34791001    -14.16070952
  H     17.07297863     10.86514172    -14.89866301
  H     14.29043750      8.42490931    -12.00197285
  O     13.36845888      8.41298024    -10.38510088
  H     17.51265207      9.15194696    -13.64315640
  H     15.60559979      8.70890850    -12.78965684
  O     15.08441389      9.10197401    -16.63612416
  H     17.53644547      7.76850695    -12.91979318
  H     14.40753532      4.60636196    -13.14559979
  O     13.98883133     11.43209114    -15.66681849
  H     16.59108857     13.24107101    -14.17513777
  H     13.80569411      3.56341987    -12.18057846
  O     16.88225031      4.85971140    -16.93055133
  H     15.95937802     12.17917047    -13.24833002
  H     13.36520714      9.78205430    -13.36065921
  O     11.08430643      7.85455995    -14.10000786
  H     13.15298294      9.35390084    -10.38146536
  H     11.89778280      9.54183655    -13.76921715
  O     16.06892647      5.77729368    -10.78260855
  H     14.11022980      8.26465739     -9.78351008
  H     15.87845779      7.03322103     -9.60799935
  O     13.68526490      7.28047183    -15.05189452
  H     14.56247321      8.42865858    -16.17992798
  H     15.94225823      7.47765488     -8.12693565
  O     15.24677237      5.07044843    -14.66399205
  H     14.65139418      9.95039831    -16.45943689
  H     18.48047491      5.43117636    -15.95564574
  O     17.50109040      5.98815194    -13.19506339
  H     14.71281515     11.85410469    -15.18741258
  H     19.25682359      6.74898597    -15.77951339
  O     14.65318028      8.59049367    -12.88103034
  H     13.35772514     11.15141560    -14.99237288
  H     16.58184449      9.28219980     -9.80763538
  O     13.97173660      4.49790412    -12.28424437
  H     16.83379347      5.74700259    -17.33082256
  H     17.27842927      9.54477925    -11.15484141
  O     12.52389696     10.23642135    -13.52977623
  H     16.94529600      4.23762573    -17.65044949
  H     17.74465478      7.77124647    -17.61310415
  O     15.69692481      7.77292462     -8.99948928
  H     11.33757565      7.35807082    -13.29936873
  H     16.22068860      8.00601764    -17.61713337
  O     19.13185493      5.87200518    -15.39617607
  H     10.18741241      7.60834313    -14.30717866
  H     14.51947195     11.71590689    -11.34167233
  O     16.95092886      9.98303215    -10.35579007
  H     15.30922310      5.32186187    -11.16294841
  H     15.98214925     11.27273279    -11.12887453
  O     16.90708618      7.38565102    -17.89783953
  H     16.72196856      5.82283609    -11.49311396
  H     18.63332653      9.10484802    -16.09549374
  O     15.41859484     11.86886360    -11.64583742
  H     12.73369317      7.38174588    -14.94017234
  H     19.95381620      9.00487132    -16.89028388
  O     19.20404445      8.49559384    -16.59261631
  H     14.08522770      7.68940053    -14.26529692
  H     12.51544485     10.90768519    -11.86336193
  O     12.70567351     11.12300371    -10.93431070
  H     15.77588524      4.87571756    -15.44781743
  H     12.03658133     11.74123457    -10.65128457
          69
 Energy    -250.80153056953640     
  O     16.52296492     13.98951190    -11.34611555
  H     17.10117613     14.13427399    -10.57587942
  H     14.02148178      9.99481346     -7.44330317
  O     16.76810553      6.47140825     -4.25030581
  H     16.26877854     14.85314009    -11.66056592
  H     19.79145224     10.29252938    -10.83460392
  O     17.29977608     12.70416804     -7.06235162
  H     15.92065560      6.93930544     -4.36186872
  H     19.06582673     11.47580509    -11.56918222
  O     14.50780390      7.96035199     -4.48053847
  H     16.55673546      5.57494847     -4.00489868
  H     20.07221448      9.87306963     -7.63198021
  O     13.26178211     11.05548611     -8.68728168
  H     17.20701745     12.06537800     -7.78846886
  H     19.61596826      8.41618496     -7.38542850
  O     20.73393184     13.09293598     -9.18857439
  H     16.75658334     12.37180148     -6.33757768
  H     17.76931430     13.95838272     -8.36805907
  O     19.87941943     11.63851689     -6.90106644
  H     14.39460416      8.41239555     -5.32815109
  H     19.05575405     14.07067292     -9.20007158
  O     20.04975748      8.48779290    -10.62370715
  H     14.58051678      8.65714612     -3.81728820
  H     17.42458193      7.87551227     -3.07852790
  O     16.62705476      8.37593071     -8.35665760
  H     12.43494771     11.51398507     -8.81523513
  H     18.12970898      9.23039947     -3.28429610
  O     15.97699037     11.16725475     -5.15958564
  H     13.82592086     11.30771420     -9.43391687
  H     16.41973632      9.20184212    -12.10094756
  O     15.03088452     11.69229667    -10.74678198
  H     21.56163815     13.38630476     -9.56026170
  H     15.53303579      9.39193166    -13.35311572
  O     14.56405051      9.45996730     -6.84793232
  H     20.37613091     12.41947885     -9.79429788
  H     16.46036074     11.18754072     -9.70739858
  O     19.54922274     11.22436782    -10.76768403
  H     19.00104280     12.04729757     -6.88252823
  H     18.01601719     11.04996335     -9.69421359
  O     20.12797261      8.97592952     -7.98298081
  H     20.37072101     12.14751781     -7.55607347
  H     19.19965127     10.69138121     -5.39606765
  O     18.12875499     14.33509865     -9.18311906
  H     20.77833788      7.92590721    -10.87255216
  H     17.70472464     10.55598162     -4.98671248
  O     17.60193487      8.72330787     -2.65219021
  H     20.10402707      8.60985860     -9.65711153
  H     17.84741062      7.16732964     -5.60854007
  O     15.96122515      9.86684727    -12.64602129
  H     17.21243068      8.07503582     -7.64912816
  H     18.41723163      8.59386738     -5.73146063
  O     17.21907120     10.94996102     -9.15901891
  H     16.91366577      9.27126480     -8.59758646
  H     18.21720138      8.13862878    -11.00934559
  O     18.58585678     10.17220092     -4.86353934
  H     15.65937124     10.96280001     -4.27193154
  H     16.93513503      8.00654898    -10.17208658
  O     18.30924529      7.76004353     -6.21334632
  H     15.47803317     10.60165434     -5.76754690
  H     16.08446946      9.60956385     -2.54721724
  O     17.25670948      8.08194278    -11.08059736
  H     15.43192241     12.54074203    -10.97943335
  H     14.95485936     10.35758658     -1.79909923
  O     15.23772492     10.07678852     -2.66474861
  H     15.23302761     11.06454787    -11.45464165
  H     17.44800099     12.71138765    -12.42962363
  O     17.91046345     11.95398116    -12.81079914
  H     15.20385404      8.98782764     -7.39849007
  H     17.25804909     11.24586606    -12.88589639
          69
 Energy    -250.80081699132285     
  O     12.75988829     12.66898392    -12.03817377
  H     12.76067184     11.82498774    -11.55260253
  H     20.75473178      8.47285764    -13.85121154
  O     19.98234147      8.53718968    -10.68026363
  H     12.00545414     13.16045311    -11.72401427
  H     17.24405394     11.94751037    -16.42872345
  O     16.89570119     11.30031261    -11.90818067
  H     19.90126818      7.65191800    -11.05685916
  H     18.06536892     12.18313593    -15.13992774
  O     12.85953371      8.28502470    -12.74204127
  H     19.09709623      8.78208615    -10.38307672
  H     14.53059036      7.51892342    -15.18404139
  O     16.91296144      6.91361316    -12.03708732
  H     16.21635437     10.79606437    -12.38321659
  H     13.40208414      6.75436063    -15.91307397
  O     14.30703108      6.77730891    -10.98342933
  H     16.52644331     12.18664841    -11.79412189
  H     14.24104849      9.49231165    -12.98766925
  O     19.59613680      6.13872017    -12.21607420
  H     13.30241152      7.63374071    -12.17300138
  H     14.60090572     10.73028051    -13.85866647
  O     13.68030099     12.10568973    -14.63975398
  H     12.91379177      7.96848499    -13.64986198
  H     13.81432514     10.84740977    -16.03853654
  O     18.35630105      9.06528975    -15.73036226
  H     17.79644847      6.52730801    -12.07541227
  H     13.81776169      9.31575891    -16.26937551
  O     17.21317201      9.09722163    -10.30272181
  H     16.67517359      7.16570824    -12.94014380
  H     15.62197193      9.05824916     -9.46526059
  O     16.67989493     10.47586588    -17.50104673
  H     14.36991477      7.39912759    -10.24802205
  H     14.75825108      8.95204762     -8.19096117
  O     20.37006432      7.70393756    -14.29097500
  H     15.21114602      6.66005317    -11.30498609
  H     21.96688197     10.31458067    -12.42264398
  O     17.50184880     12.62295427    -15.79049952
  H     19.87861563      6.62915103    -13.00919694
  H     20.74464214      9.51371640    -11.91188869
  O     13.59064937      7.55591600    -15.43084010
  H     20.07076585      5.31210731    -12.21795053
  H     15.57970725     15.03853785    -15.22489500
  O     14.97847129     10.00802554    -13.34014143
  H     13.21968452     12.29378854    -13.81080397
  H     16.29537958     13.66816971    -15.16580526
  O     14.11846964     10.15359899    -16.63862418
  H     14.28558952     12.84628425    -14.78271807
  H     14.55706128     13.37398524    -11.88841719
  O     14.71036657      8.96291489     -9.14391857
  H     17.86758024      9.48010873    -16.45204792
  H     15.56719755     13.94555847    -12.89381903
  O     21.11996389      9.96693007    -12.68823700
  H     18.51334422      9.76103047    -15.07286100
  H     18.19682937     11.18451425    -13.14452963
  O     15.55471455     14.18541818    -14.80055967
  H     17.09693378      8.36901392    -10.93159779
  H     19.67176339     10.81411016    -13.47043525
  O     15.47755944     13.65055403    -11.97880704
  H     17.16892849      9.92819556    -10.79998963
  H     13.39687622      9.90881610    -10.17385615
  O     18.83234567     11.07678646    -13.86680847
  H     16.65972666     10.54028631    -18.45242567
  H     12.56157620      9.56936759    -11.42503404
  O     12.74635859     10.27171086    -10.78648519
  H     15.75995722     10.34435829    -17.21150221
  H     16.96573433      8.15261000    -15.01364066
  O     16.17397344      7.87177784    -14.53778876
  H     19.73359262      8.05376919    -14.92757904
  H     15.79736666      8.67560868    -14.14291793
          69
 Energy    -250.80051900209702     
  O     15.12476139      2.97798206    -14.85821903
  H     15.30410293      3.91430979    -15.01972490
  H     17.16668113      8.48806109    -15.67459948
  O     18.66369688      8.73635819     -9.93726099
  H     14.28522569      2.94742823    -14.38256797
  H     14.89433238      8.69148619    -12.55927721
  O     13.80610989     12.29692834    -11.87544378
  H     18.67765429      8.30756919    -10.80959211
  H     15.79139165      8.53776975    -11.30728449
  O     17.02063312      2.25719479    -13.04051526
  H     19.48239606      8.50602026     -9.50484757
  H     13.54737549      2.88109044    -12.31093607
  O     12.20898745     10.12284083    -10.97591775
  H     14.41125801     12.42664115    -11.13453905
  H     12.14718905      2.53562572    -12.87534352
  O     15.95356210      7.89082402     -9.59150140
  H     13.18129688     11.62012082    -11.58839801
  H     16.40235439     12.09616016     -9.94026020
  O     13.07450706      8.51220715    -12.96907412
  H     17.51189797      1.48047612    -13.29301631
  H     15.72700517     13.16940512     -9.05494879
  O     14.28611023      9.95076533     -9.02431476
  H     16.37805869      2.42972436    -13.75232233
  H     14.68084700      5.70300410    -11.48585978
  O     15.73307219      5.73651917    -14.73973008
  H     12.46682774      9.51515711    -11.69135544
  H     15.52031589      6.26230260    -10.29237929
  O     17.43260446      5.00359566    -12.60730533
  H     11.26285383     10.05131992    -10.88156505
  H     14.58928148     13.06108651    -14.82572477
  O     18.47369911      9.16936366    -14.74552461
  H     16.86683790      8.18345342     -9.49199925
  H     14.38945866     12.29147745    -13.49807009
  O     16.39606356      8.10146361    -16.12560647
  H     15.36778480      8.59007981     -9.25920975
  H     18.18816828     10.55792202    -10.33351413
  O     15.80424078      8.75554256    -12.24888251
  H     13.30706647      8.86326920    -13.84339917
  H     17.70584885     11.38339207    -11.55092108
  O     12.91408142      3.08166586    -13.02387758
  H     13.10415479      7.54660988    -13.00228627
  H     16.56325844     10.27284758    -12.87887078
  O     15.54271803     12.42911878     -9.62667209
  H     13.51577727      9.96601791     -9.60574231
  H     16.38109151     11.56988750    -13.69535908
  O     15.35418537      5.47635657    -10.82964903
  H     14.70960754     10.81216223     -9.12879066
  H     14.28494324      5.82921397    -13.67210977
  O     14.78458266     12.23718686    -14.38805927
  H     16.42332302      5.56876323    -14.08326955
  H     13.19036932      4.93223717    -13.03268175
  O     17.85588747     11.42360390    -10.59570095
  H     15.97237886      6.52935142    -15.23396808
  H     15.05272632      3.61657060    -10.85216264
  O     17.04265527     11.03477084    -13.24154804
  H     17.47106306      4.04924928    -12.74009628
  H     15.65707862      2.45290723    -11.66740002
  O     13.57707953      5.81566612    -13.00964890
  H     16.76002127      5.16235932    -11.92656048
  H     14.35217721     10.50128308    -15.04447609
  O     14.87371041      2.72115668    -11.17167131
  H     18.68461030      8.56868025    -14.01946243
  H     14.88226234      9.13714882    -15.56591650
  O     14.09903539      9.58796327    -15.22890944
  H     18.10385821      9.95622366    -14.32011007
  H     18.21376772      6.62975487    -12.49020703
  O     18.32590051      7.58703568    -12.41719280
  H     16.60042499      8.09326414    -17.05769598
  H     17.43448366      7.96616507    -12.47776293
          69
 Energy    -250.79989363974386     
  O     12.83602234     11.91991809    -14.77777162
  H     12.51851295     11.71575794    -13.88945911
  H     14.39716438      6.26678805    -16.66187734
  O     14.79433721      6.37490873    -13.47042192
  H     13.71051591     12.31499319    -14.68596265
  H     17.70243087     11.89010070    -17.19989400
  O     18.20662042      9.38938824    -12.28186611
  H     14.29325561      6.65292378    -12.69120211
  H     17.72389466     10.94699511    -15.97772168
  O     18.71865713      9.85770339    -15.06033638
  H     15.73148880      6.39533377    -13.23466453
  H     14.89497078      8.03462415    -14.22185578
  O     11.50611444      7.53733605    -15.66234004
  H     17.42357100      9.94654518    -12.40467270
  H     14.45504851      9.14520632    -15.23159692
  O     15.60236836      9.09707654     -8.84029977
  H     18.32921479      9.29039202    -11.32974707
  H     11.55694101     10.14905355    -12.55838877
  O     13.43859160      7.42921544    -11.31178185
  H     18.44000533      8.99148709    -15.38993277
  H     10.92822553     11.42489494    -11.94863696
  O     15.90090850     10.79190273    -12.84990238
  H     18.73216555      9.77558095    -14.09914446
  H     17.78047494      7.05140937     -9.97529480
  O     15.72950320      6.89728535    -17.91180306
  H     10.75203135      7.14355450    -16.09297878
  H     17.47004689      6.22580097    -11.23680767
  O     14.87255227      6.33039762     -9.17650600
  H     12.26159886      6.94199498    -15.81852009
  H     11.97918805      7.94560582    -12.42240983
  O     17.34777274      7.52887743    -15.71446570
  H     15.02378587      9.56705126     -9.45580522
  H     11.42043448      8.11026814    -13.86436476
  O     13.71180856      6.02789719    -16.02730362
  H     15.27343121      8.19050805     -8.80569125
  H     17.77439550      7.65891364    -12.74712610
  O     17.14524157     11.50673385    -16.52615671
  H     13.66949631      8.36193690    -11.19322764
  H     17.63168502      6.78805921    -14.00319372
  O     15.14693802      8.88217680    -14.61217391
  H     13.80293398      6.96247784    -10.54918828
  H     18.77667369      9.14172401     -8.78876154
  O     11.74819902     11.06208396    -12.27345263
  H     15.84512782     11.62469049    -13.33037611
  H     17.30051683      9.03034106     -9.23983859
  O     17.35204959      6.24100449    -10.27832381
  H     15.62662117     10.10109267    -13.47681337
  H     14.52438696      9.70784418    -17.52015097
  O     11.39470501      8.48067774    -12.97429400
  H     15.81884484      6.56036753    -18.79912561
  H     15.97931965     10.21585780    -17.48604244
  O     17.54228410      6.76559126    -13.04158442
  H     15.61561415      7.86200646    -17.98820729
  H     13.22842039     10.54993148    -11.25359832
  O     18.22160321      8.87430434     -9.51626919
  H     14.75538624      5.61734063     -8.55493804
  H     14.73773194     10.41383227    -11.54835991
  O     15.39309484      9.59972518    -17.93672160
  H     15.75244675      6.21226130     -9.57810992
  H     16.08505098     12.42698502    -15.37770224
  O     14.04280307     10.14679889    -10.92905676
  H     16.63429994      8.08188527    -15.35736482
  H     15.80899467     13.80272350    -14.73078139
  O     15.56736841     12.88037928    -14.69240353
  H     16.98557533      7.14997240    -16.52254984
  H     12.45766101      9.06251280    -16.19037701
  O     13.13066000      9.72936719    -16.36850031
  H     14.13324273      5.97606273    -15.15786087
  H     12.91704362     10.52719041    -15.86041035
          69
 Energy    -250.79901232622009     
  O      0.69006871     -0.66950658      5.38562867
  H      0.44433996      0.25325612      5.51433428
  H     -5.23748048     -1.56105063      3.02060535
  O      1.64144986     -0.72007825     -2.28025557
  H     -0.06599055     -1.19186091      5.67951900
  H     -3.21998920      0.63069181      5.55830236
  O     -1.64074706     -2.16191141      6.23653015
  H      0.77558886     -0.45392238     -1.94125771
  H     -2.82953532     -0.87615602      5.70023388
  O     -0.63978172     -0.12861881     -0.72752116
  H      1.71062018     -1.66784997     -2.10976744
  H     -0.25775041      2.12755469      3.69005410
  O      1.86519606     -3.40691110     -1.26443103
  H     -1.57647828     -2.68651007      7.03007021
  H      0.10609667      1.73661635      2.22145898
  O      3.25556568     -2.15353613      0.71374091
  H     -1.91936954     -2.76689710      5.52397095
  H     -2.50759740     -0.39634528      3.57474481
  O     -3.23789900      2.94522752      3.26984370
  H     -0.06564253      0.18390572     -0.01476526
  H     -1.43701331      0.42862609      2.81562381
  O     -4.71566056     -3.29319197      2.48134079
  H     -1.54722919      0.10237027     -0.48995166
  H     -0.76848346     -1.95074950     -0.63630648
  O     -0.09089553      2.10105002      5.58504114
  H      2.35653218     -4.15943645     -1.58240177
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  O      3.35723930      0.45056087     -0.52910208
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  H      0.91633213     -2.05158970      2.68136766
  O     -5.19916446      1.53555984      1.74146518
  H      2.82996967     -1.99797797      1.56774088
  H      1.46791829     -1.18266618      3.82909408
  O     -5.39562093     -0.65782777      3.32135971
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  H     -3.40602350      2.98223710      6.42882488
  O     -3.39463790     -0.25525668      5.22111554
  H     -2.36671033      2.74030596      2.90354583
  H     -3.04463770      2.69037324      4.94858892
  O     -0.60516847      2.06211560      2.79188075
  H     -3.89381186      2.51424805      2.70903735
  H      1.36536053     -0.04316072      1.85531431
  O     -1.95317635     -0.38750603      2.78547210
  H     -5.36180998     -3.97938499      2.33341603
  H      1.98081475      0.77260453      0.68639548
  O     -0.80234586     -2.91243546     -0.52171490
  H     -4.29722318     -3.11887047      1.61942748
  H     -1.73689949     -3.55844372      3.50063726
  O      1.65345037     -1.47176979      2.92493117
  H      0.40243107      2.72908998      6.10818415
  H     -3.26226835     -3.59712740      3.68360215
  O     -2.83951433      2.45383158      5.87351194
  H     -1.02943358      2.24751279      5.78229014
  H     -0.71462924     -2.93351982      1.29985458
  O      1.20563793      0.70176342      1.25628576
  H      4.03640726      0.97058291     -0.94896221
  H     -1.13289209     -1.94541500      2.42839186
  O     -2.43073942     -3.68760273      4.16351882
  H      2.80121325      0.08381141     -1.24039361
  H     -3.56579512     -1.70442146      0.05911940
  O     -0.66061052     -2.77473788      2.25041847
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  H     -2.69389299     -2.94362629     -0.20377650
  O     -3.56699118     -2.66999553      0.10250231
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  H     -3.92788729      0.68692459      0.60823990
  O     -3.18967886      0.11583057      0.37061918
  H     -4.82521141     -0.53401453      4.09220564
  H     -2.77774429     -0.12407900      1.21625329
          69
 Energy    -250.79797302640918     
  O      3.31051310      1.42942546      2.66090760
  H      3.10078358      2.27165478      3.08485553
  H      6.66130074      2.98981517      7.76874224
  O     -0.04888406      2.00841960      4.88337131
  H      3.26363512      1.59001206      1.70974929
  H      0.49914209      1.14772120      0.68215750
  O      5.82290657      5.36017150      6.03602573
  H      0.32696422      1.18994814      4.53124535
  H      1.50444828      2.22297835      0.20917006
  O      4.41461996     -2.15950358      3.20464061
  H     -0.16382425      2.59203884      4.12364929
  H      5.40129266      0.29089829     -0.54976836
  O      5.11749585      2.54633966      8.47150564
  H      5.03142692      5.28087234      6.58312185
  H      4.93407948     -0.34915038     -1.88016076
  O      0.04745014      3.75604613      2.59091909
  H      6.48251855      4.79452487      6.45597230
  H      1.25246734      2.63730448      5.93465083
  O      3.34368451      2.24399136     -0.02254520
  H      3.94153232     -2.11994060      2.36088964
  H      2.70876656      2.22006779      6.32798385
  O      3.11537704     -1.56674314      5.47104805
  H      5.08735293     -1.46732454      3.15213228
  H      4.33288428      4.28801940      3.55823153
  O      1.36451657     -0.17151445      3.76949201
  H      4.71006392      1.87299049      7.91064630
  H      5.55710359      4.83152109      4.33655776
  O      0.47012826     -0.66758129      1.22400000
  H      4.56789653      3.33468509      8.37465487
  H      2.43430068      3.66581301      4.64286148
  O      6.58637608      1.06599954      0.46224218
  H     -0.60446019      4.39419305      2.31434831
  H      1.74272220      3.98896477      3.28954019
  O      7.41460193      3.27304026      7.21947023
  H      0.20273183      3.16675930      1.83099604
  H      4.92168122      0.57398340      2.85121284
  O      0.60434716      2.09626327      0.53837829
  H      4.07102762      2.83919135      0.19923823
  H      6.17863903      0.75501404      3.71566134
  O      4.62034173     -0.02358067     -1.04083271
  H      3.72413689      1.49049165     -0.49488288
  H      2.92600109      4.21127486      7.21981740
  O      2.09421590      2.96761108      6.28175415
  H      3.03140556     -2.33881747      6.02359452
  H      2.97925565      5.39168482      8.21550336
  O      5.30076684      4.33412645      3.54559348
  H      3.60076251     -1.84331408      4.67090635
  H      5.56717105      3.96714845      1.80700639
  O      2.60240132      3.91389012      3.72264924
  H      1.81011111     -0.73844968      4.40944526
  H      5.98808710      4.53009469      0.43705323
  O      5.81766839      0.22957552      2.99026883
  H      2.06221202      0.37017115      3.36678998
  H      4.75614857      1.26611874      5.82434691
  O      3.52782272      4.80327171      7.70280079
  H     -0.27758573     -1.25855868      1.17463543
  H      3.75982614      0.08889174      6.08862955
  O      5.61418351      3.75982105      0.85933443
  H      0.69097364     -0.57450528      2.16639887
  H      6.75603997      2.41605844      5.70020452
  O      4.00857726      0.97815220      6.36662044
  H      6.46703619      0.68225554      1.34340392
  H      5.91450752      2.81516340      4.45859880
  O      6.21551583      2.06144705      4.98429206
  H      6.40889198      2.00785763      0.56780759
  H      3.61343652     -1.18110189      0.12099957
  O      3.13509749     -1.70519982      0.77382140
  H      8.19739886      3.18919964      7.75628550
  H      2.23392322     -1.36470548      0.79439636
          69
 Energy    -250.79623119472012     
  O     11.85161767     11.51772792    -10.44058718
  H     11.94458426     12.37554131    -10.89243667
  H     14.60478227     11.87010920    -13.55943008
  O     16.78051138     14.08391367    -16.69936910
  H     11.05551899     11.57106178     -9.91792669
  H     13.93026862     14.66244998    -15.04002274
  O     16.85677385      8.78224250    -12.09844743
  H     16.85021813     14.58233700    -17.50883208
  H     15.14098291     15.25578901    -14.29904492
  O     14.15973120     15.70731698    -10.37456189
  H     16.04352367     14.47027730    -16.19152300
  H     12.97504651     12.77801359    -14.47183399
  O     16.27578989     11.39090267    -16.08634444
  H     17.40110939      8.38111486    -12.78606653
  H     11.66715075     13.43057160    -14.97746357
  O     18.33889535      8.10109926    -14.41800321
  H     17.22371654      9.66876920    -11.95754949
  H     18.27981015     12.72922738    -10.71838528
  O     16.09654538      8.56485671    -15.86997743
  H     14.73196236     15.12761803     -9.83698591
  H     18.44426549     14.23460675    -10.94755191
  O     15.44552425     12.56511675    -12.21776143
  H     13.90488322     16.43769781     -9.81799202
  H     12.37864195      9.80752106    -11.16954083
  O     14.41918135      8.80419071    -13.60255963
  H     15.50131392     11.47231580    -15.51155227
  H     13.50024120      8.82417508    -10.79127805
  O     18.62925945     10.95866817    -14.63013562
  H     16.44471564     12.27170398    -16.44244953
  H     18.14787060     13.96566265    -15.38637311
  O     18.55160357     15.38377572    -12.47364445
  H     17.56415603      8.18403290    -15.00376888
  H     18.92788234     12.85484255    -14.65934923
  O     14.13352892     11.46252180    -14.30463699
  H     18.85125145      7.36506692    -14.74106905
  H     15.51985732      8.23084039     -9.19564443
  O     14.79025254     15.07295067    -15.18277311
  H     16.14109685      9.48867364    -16.15039376
  H     15.83833604      8.71437269    -10.62685429
  O     12.45535692     13.60093297    -14.46753647
  H     15.37652597      8.51732326    -15.22645637
  H     15.36334064     13.13433748     -9.09675541
  O     18.24545567     13.58143223    -10.26599825
  H     15.10487342     12.34901795    -11.34003921
  H     16.67185319     13.89902650     -9.40218494
  O     12.77193399      8.96012726    -11.41032464
  H     15.55161832     13.52197240    -12.29153792
  H     17.03909940     11.80861459    -12.07736875
  O     18.77380774     13.80692949    -14.66875561
  H     15.25193816      8.81326507    -13.11198121
  H     18.26134540     11.26804408    -12.85566208
  O     15.22493246      8.82471194     -9.88174364
  H     13.71874018      8.76325563    -12.93489409
  H     12.86674276     14.56442007    -11.25276357
  O     15.76956175     14.01007485     -9.06808169
  H     17.81188973     11.10139106    -15.13159622
  H     12.34828515     13.93323755    -12.57872996
  O     17.87684575     11.33111226    -11.97123988
  H     18.74625180     10.00302938    -14.58638542
  H     13.60045447     11.55374725     -9.86393378
  O     12.25705577     13.91337325    -11.61858356
  H     18.67442975     14.81198208    -13.25293552
  H     14.85813214     10.66221692     -9.70053814
  O     14.55752645     11.57826623     -9.73126921
  H     19.21841866     16.06329960    -12.52519451
  H     16.70850972     15.45994887    -12.46952343
  O     15.76231057     15.32013474    -12.60539502
  H     14.10517381     10.51488806    -14.12151391
  H     15.27784032     15.62847160    -11.82888454
          69
 Energy    -250.79593139978462     
  O     15.80768997     10.02519543    -12.08049017
  H     15.68699327      9.88514961    -13.02893916
  H     13.66156068      5.64996230    -13.61563533
  O     18.27646002      5.71659138    -15.61980392
  H     14.98919751      9.71961418    -11.66529105
  H     15.48814193      6.48208158    -12.49985838
  O     12.52019523      4.13121523    -11.36586282
  H     18.27298020      6.55451948    -15.12270655
  H     14.31025771      7.47420417    -12.26009337
  O     13.47140111      1.52388965    -11.20350483
  H     19.05247184      5.72678574    -16.17346569
  H     17.12863008      9.01455233    -11.54660760
  O     15.48745827      8.87819949    -14.66159094
  H     12.65205324      4.35202306    -12.29898421
  H     18.49076750      8.86328406    -10.83090218
  O     18.10339662      8.01115369    -14.21892695
  H     11.86917498      4.75508786    -11.01763878
  H     13.79077943      7.89423059    -17.66097105
  O     11.02943751      6.23765701    -10.40429642
  H     12.99825859      2.36759700    -11.23898379
  H     14.49423090      6.93873250    -16.67336087
  O     15.84006781      2.21543951     -9.66505026
  H     14.18350132      1.65134063    -10.56667727
  H     12.09472260      6.31728149    -14.60783531
  O     14.61991339      0.80128338    -13.55597251
  H     15.22282880      8.14995970    -14.07663507
  H     12.47755215      7.51097908    -15.48935950
  O     16.93165120      1.68974263    -12.09175928
  H     14.99729635      8.72309210    -15.47600915
  H     15.85925929      3.51861972    -14.41903625
  O     17.39770814      4.03030027    -13.55554584
  H     17.25852735      8.40659104    -14.47813154
  H     14.85865687      2.35433751    -14.57754176
  O     13.09544060      4.92401765    -13.92609296
  H     18.16350482      8.11790448    -13.26433588
  H     15.28833399      4.69984730    -16.13478744
  O     14.71329887      6.88429423    -12.91116535
  H     10.96866861      6.90646582    -11.09785848
  H     16.48598354      5.64528800    -16.30555834
  O     17.83889130      8.38281601    -11.33426356
  H     11.70203534      6.55068767     -9.78800435
  H     11.36294918      7.93891438    -13.30609591
  O     13.94849794      7.74372455    -16.73263151
  H     16.26241916      1.67233164     -9.00514364
  H     10.37076091      8.86546494    -12.57010201
  O     11.84059806      7.22585618    -14.82448924
  H     16.29853025      2.03877025    -10.50670296
  H     17.21190894      6.64186851    -11.27934727
  O     15.06521712      3.24045405    -14.89887838
  H     14.33005337     -0.06875687    -13.81633772
  H     16.19699459      5.51329717    -10.82746752
  O     15.55171919      5.54283822    -16.52315006
  H     14.13276271      1.02724716    -12.74318214
  H     12.67891473      8.65560371    -11.53074302
  O     11.12263711      8.29499125    -12.43238540
  H     17.24500848      2.44645184    -12.60538926
  H     13.49662616      8.18883891    -10.28331531
  O     16.83462981      5.78064230    -11.50326104
  H     16.25207662      1.26935112    -12.63273576
  H     13.48004481      7.04924669     -7.94134943
  O     13.55067413      8.68114680    -11.11208677
  H     17.81051143      4.53372650    -14.26777168
  H     13.94126506      6.19456950     -9.14358710
  O     13.40986886      6.96707850     -8.88919972
  H     17.26175509      4.64392640    -12.81870866
  H     15.18048630      3.93331823     -9.67107066
  O     14.77309665      4.78246326     -9.88686296
  H     13.68716394      4.27696809    -14.32980702
  H     14.01313929      4.57807747    -10.45442771
          69
 Energy    -250.79237308808899     
  O     12.16294742     11.16955582    -15.33017947
  H     12.80157552     11.88649273    -15.24704223
  H     14.62192597      6.13969973    -15.96372127
  O     15.81937769      7.14171305    -13.23041653
  H     12.56502832     10.52256610    -15.92653976
  H     18.68319795      8.18465618    -13.17601725
  O     17.38078524     10.92353041    -11.99950876
  H     15.57185546      7.92298233    -13.75027575
  H     17.92329440      9.14493253    -12.22850814
  O     17.86540425     10.79914566    -14.76798953
  H     16.68132476      7.35153789    -12.85063962
  H     16.93165623     11.67507500    -16.07818455
  O     12.78599017      6.65161621    -16.13187976
  H     17.45965726     10.95988296    -11.03818578
  H     15.54766339     12.34715618    -16.17109593
  O     14.58452759      9.79340693     -8.79218085
  H     16.45497113     11.12857818    -12.19524596
  H     14.72814145      9.40540856    -15.36425280
  O     13.76253006      7.23724454    -11.43945389
  H     18.46680291     10.05236836    -14.88289496
  H     16.15793897      9.82982782    -14.87642264
  O     14.73609472     11.33509932    -12.73014556
  H     17.83231712     10.98780926    -13.82092977
  H     10.10729598     10.25487772    -13.14371231
  O     17.40576107      7.82728989    -16.80121169
  H     12.49197164      6.87367359    -15.22962368
  H     11.42266446     10.46936263    -13.92753158
  O     15.04616185      7.11528615     -8.93257534
  H     12.14989505      6.03416881    -16.48284449
  H     17.96363070      7.88296265    -10.48652712
  O     19.27769887      8.37638708    -14.96208445
  H     15.41986754     10.24583868     -8.95897500
  H     16.88109569      7.53944700     -9.42219367
  O     15.56535789      6.02757134    -15.80024835
  H     13.98892597     10.00752738     -9.52249444
  H     12.51840728      7.18749399    -12.85135905
  O     18.21533270      8.22758821    -12.33267150
  H     14.12147099      7.04131050    -10.56629822
  H     11.60451741      8.24247914    -13.50459296
  O     16.23418350     11.92639673    -16.70104868
  H     14.49928399      7.14020238    -12.06284297
  H     17.52172455      9.70318238     -9.26005894
  O     15.31104552      9.46098332    -14.59724551
  H     14.12110840     10.96373373    -12.08542785
  H     17.83694553     11.01070119     -8.49336229
  O     11.03421670     10.03096632    -13.14940489
  H     14.86615387     10.64150570    -13.39853638
  H     16.03180380      9.97699429    -19.21263389
  O     17.71972512      7.99668607     -9.55837813
  H     16.92920346      8.44299468    -17.36661451
  H     16.00183632     10.58641635    -17.79031434
  O     12.00133640      7.37481513    -13.64508857
  H     16.76928231      7.15039148    -16.52478201
  H     13.27336352      8.98842401    -11.24077399
  O     17.31806411     10.65539185     -9.21019266
  H     14.85152814      8.05942688     -8.78874756
  H     12.23289603     10.02760625    -11.71443165
  O     15.86337457      9.76609512    -18.29813744
  H     14.83308942      6.66310155     -8.12037539
  H     14.46212743     12.53954860    -14.03006446
  O     12.99652604      9.91137507    -11.13490121
  H     18.62824341      8.11768616    -15.64289721
  H     14.24861828     13.95077126    -14.62198752
  O     14.29655874     13.02659506    -14.85491851
  H     20.13653722      8.13222205    -15.29564952
  H     14.26929864      9.31886173    -17.44439197
  O     13.57332869      9.24892810    -16.77867816
  H     15.68645576      6.20601197    -14.85774692
  H     13.30588458      8.32360689    -16.69709614
          69
 Energy    -250.79217845237042     
  O     18.00526328      9.81627932    -13.11021597
  H     18.34507446      8.93991319    -13.32172753
  H     15.35828755      5.08762916    -13.47482227
  O     15.53863476      4.88801286    -16.64798624
  H     17.57646115      9.74736865    -12.24433377
  H     13.24203839      9.25930145    -10.71406093
  O     12.32017362      8.01356332    -13.49186044
  H     14.70560866      5.38067752    -16.76379859
  H     12.66564788      8.24135183    -11.73569250
  O     11.85874163      5.89369200     -9.95935485
  H     15.57453976      4.24320650    -17.34985732
  H     15.51268868      7.68778979    -13.48154389
  O     13.18925478      6.21797314    -16.79187203
  H     13.25579467      8.11449539    -13.73152882
  H     15.08501665      9.20155405    -13.55184371
  O     16.95647789     11.40451340    -14.99217803
  H     12.09116947      7.11091713    -13.74459569
  H     19.66224179      6.80384510    -13.82052941
  O     17.51922222      6.87711007    -16.15991852
  H     12.64316170      5.46297570     -9.59820157
  H     18.37750001      7.02806510    -14.65688547
  O     14.33984940      4.56452973     -9.34434172
  H     12.12457421      6.80059564    -10.15998780
  H     12.15258024      9.62919582    -14.45760537
  O     15.90139140      9.19012076    -16.39686098
  H     13.10933504      7.16673345    -16.94020759
  H     12.65428225     10.01253980    -15.85484447
  O     11.01672825      4.25332229    -11.95894594
  H     12.65029169      5.99537518    -16.02215118
  H     13.83699709     10.97061454    -14.02867939
  O     13.70465014      3.26931311    -11.64540170
  H     17.52387456     12.15184990    -15.15764841
  H     15.34903620     11.38165848    -13.99249135
  O     14.78821150      4.46415686    -13.94996973
  H     17.40000434     10.85690546    -14.31566784
  H     11.62969493      4.94976647    -13.57756277
  O     12.97058386      8.34000116    -10.82152484
  H     16.89788682      6.15924954    -16.33444698
  H     13.05900104      5.06770824    -14.15044671
  O     14.99265861      8.33692868    -13.97073742
  H     17.06196502      7.69067955    -16.40730123
  H     13.24082368      9.31882184    -18.27873601
  O     18.77331062      7.14464325    -13.77357952
  H     14.54239648      3.93291182     -8.65971056
  H     14.27811619      9.12849519    -17.14836385
  O     12.44469706     10.38291977    -14.98913874
  H     14.18281622      4.05470816    -10.15956156
  H     13.82618284     11.77346405    -10.41662637
  O     14.59760607     11.12554393    -13.44608591
  H     16.31722388     10.01355884    -16.11399963
  H     14.24877665     11.09153328    -11.73999942
  O     12.14611875      5.36636809    -14.27855597
  H     15.56071741      8.78297794    -15.58179267
  H     16.14266257      6.53758773    -11.75056440
  O     13.33622900      9.03878720    -17.37133944
  H     11.24133105      4.87841214    -11.24640062
  H     17.26975559      6.54111114    -12.86342974
  O     14.09464497     10.93848589    -10.79067808
  H     10.17695325      3.86541004    -11.72848374
  H     16.32623582      8.65702045    -10.42164725
  O     16.35521986      6.30605772    -12.66513657
  H     12.76524276      3.44282892    -11.78237362
  H     15.81974154     10.08849486    -10.64060614
  O     16.59487624      9.52480072    -10.74756002
  H     14.14493388      3.53852007    -12.46257736
  H     15.12434653      6.18221906     -9.80251175
  O     15.36840727      7.02494996    -10.20512543
  H     15.09834175      4.45793591    -14.86267312
  H     14.53696636      7.46980186    -10.42832398
          69
 Energy    -250.79105708962717     
  O     15.07351407      3.35253633    -10.30983967
  H     14.20864664      3.77071819    -10.42932732
  H     15.37886312      5.65037301    -15.58889727
  O     12.56699817      4.53876160    -10.77269587
  H     14.92210705      2.39999185    -10.28677623
  H     15.16048376      8.73912860     -8.00320588
  O     16.55154231      3.45670326    -12.70819111
  H     12.71696653      4.94167799    -11.64253590
  H     15.46286453     10.21550732     -7.64144029
  O     17.11656400      7.29627516    -13.56511430
  H     12.39054999      5.27536132    -10.17698169
  H     15.66260162      6.40727068    -10.71198126
  O     12.30348794      1.99289719    -12.01186737
  H     16.05662964      3.47767781    -11.87895920
  H     14.85664252      7.64909754    -11.16618495
  O     14.46877125      0.63542457    -10.70381716
  H     17.33660391      4.01125828    -12.59168042
  H     13.72257370      6.98022074     -8.05624843
  O     17.03696179      9.85362727    -12.42212241
  H     16.47660391      7.13618200    -12.85353560
  H     15.19868355      6.53451911     -8.07832930
  O     17.75396898      8.88931060     -9.91688368
  H     16.67915199      7.07700476    -14.39519640
  H     12.66706403      1.38489201    -15.10702809
  O     13.34880779      5.77965704    -13.07791352
  H     12.21595924      2.83056322    -11.53994814
  H     12.87044953      1.92731022    -13.67380690
  O     14.20269921     10.27840539    -12.95210402
  H     12.90747677      1.45414784    -11.48533674
  H     12.69223407      7.70165211     -9.81188755
  O     13.68916977      8.15251896    -14.56071714
  H     14.61406794     -0.20425003    -10.27740001
  H     11.38287039      7.33342008     -9.08491227
  O     15.65340278      6.53315190    -15.88945364
  H     14.92643098      0.60090714    -11.56345165
  H     18.76983585      5.60669828    -11.46506606
  O     15.43360512      9.60046087     -8.36909187
  H     17.19912821      9.05174378    -12.93880643
  H     18.23306123      5.99024651    -12.85428875
  O     15.29765822      6.85230124    -11.48632994
  H     16.12566172     10.10015195    -12.61215464
  H     14.30564984      3.36908308    -14.84883502
  O     14.57914436      7.14121722     -7.64508312
  H     17.56801789      9.28519988    -10.78084955
  H     15.52818720      3.93830669    -14.07940757
  O     13.28653434      1.84985044    -14.55101281
  H     17.03608489      9.16507763     -9.33767297
  H     16.12369984      1.66916501    -13.07155793
  O     12.23756678      6.98817769     -9.33409709
  H     14.05518299      6.13587723    -12.51357081
  H     14.89010326      1.05471139    -13.75661288
  O     18.57839066      5.24776677    -12.33932187
  H     13.77684425      5.17788195    -13.70016432
  H     17.19736081      5.69211153     -9.30998716
  O     14.87282319      4.14548946    -14.76473117
  H     14.01653698      9.54826498    -13.56920601
  H     15.99470855      4.67778527     -9.46956288
  O     15.61610026      0.84912856    -13.15556540
  H     13.88706654     11.07587660    -13.36889390
  H     18.49086344      7.33228845     -9.82215796
  O     16.25039448      5.56175195     -9.17250040
  H     14.34477418      7.76214098    -15.15032492
  H     19.65632295      6.48126857     -9.26371922
  O     18.83746614      6.42342167     -9.74817000
  H     13.34244210      7.40426017    -14.05714918
  H     13.84562566      9.54327763    -11.31602383
  O     13.75802281      8.99549095    -10.52483562
  H     16.00785967      6.42506038    -16.76847698
  H     14.33013611      9.36004176     -9.83505600
          69
 Energy    -250.79051155910662     
  O    -12.25712015      0.80627956      0.00332628
  H    -13.06079099      0.49113673     -0.40121850
  H     -8.06654953      5.32126912      3.66578152
  O     -8.53528336      7.10462722      1.17465917
  H    -12.09403845      0.24335441      0.78142156
  H    -10.46668980      0.39606509     -0.65683224
  O    -10.42826758      0.52724349      4.34639633
  H     -9.42159435      6.72136684      1.30419939
  H     -9.26970565     -0.41452505     -0.12969659
  O     -5.34835137      4.81343429      4.25626136
  H     -8.66224694      7.96675932      0.78788645
  H    -11.34402822      3.01405664      2.54125231
  O     -9.44793624      6.09717265      5.94625914
  H    -10.27825918      0.65098120      5.29187843
  H    -11.12502012      2.10035367      3.79881269
  O     -5.85376285      3.12759838      6.31085417
  H     -9.56136245      0.34605768      3.95654945
  H     -7.47897258      0.64229909      2.84471388
  O     -9.64428269      1.13099508      6.98146476
  H     -5.06482026      4.56325420      3.36888438
  H     -7.49739625     -0.05133994      4.22375176
  O     -8.96562896     -1.63224471      1.34082711
  H     -6.06488753      5.44990979      4.12864490
  H    -11.10997432      5.08735953      1.26348175
  O    -11.56580786     -0.76745481      2.10459528
  H    -10.28688045      5.98785510      5.48116192
  H    -11.25496606      5.92891541      2.55616552
  O     -4.88886319      4.02212890      1.56826405
  H     -8.81126643      6.35890413      5.26725033
  H     -8.86767626      4.52832830      6.56248544
  O    -11.14687093      3.26108189      0.78273730
  H     -5.12149010      3.19415988      6.91864590
  H     -7.61468490      3.57166167      6.68438484
  O     -7.71097547      6.22163669      3.72495519
  H     -5.63771192      3.70558678      5.55753722
  H     -7.45998401      5.76322271      0.40356882
  O     -9.51738826      0.26437404     -0.76929660
  H     -9.34625626      2.05661404      6.93341242
  H     -7.52958199      4.30469299     -0.11326859
  O    -11.34385008      2.99611590      3.50971587
  H     -9.98786473      0.99676896      7.86080423
  H    -11.72349249      4.59363664      4.16570893
  O     -7.85987868     -0.10601449      3.32785098
  H     -8.54072249     -2.48294468      1.26568378
  H    -12.70845394      5.68475950      4.64330474
  O    -10.93330788      5.95591585      1.64786915
  H     -8.51299816     -1.15777198      2.05875112
  H     -7.46205773      2.72779573      2.83005196
  O     -8.58063389      3.60873005      6.67144732
  H    -10.75321136     -1.20483824      1.81806638
  H     -6.12666063      2.70377716      2.02845695
  O     -6.92053925      5.02657130      0.09237859
  H    -11.35683481     -0.38428399      2.96557937
  H     -6.56465604      1.33080578      5.97646969
  O    -11.80242940      5.53908578      4.38080227
  H     -5.56951475      4.45033192      1.01687464
  H     -7.86243820      0.60038495      6.36991198
  O     -6.92670867      2.19998256      2.21587392
  H     -4.10407740      3.95436790      1.03164626
  H     -7.97776866      2.49279560      0.75894411
  O     -7.03808351      0.49571110      5.88001828
  H    -10.22471884      3.14321813      0.50919737
  H     -8.79785079      1.87852397     -0.40264820
  O     -8.54491070      2.71803034      0.00838278
  H    -11.63476370      2.50365172      0.43580200
  H     -9.55740642      3.42724635      3.62733653
  O     -8.63078859      3.58375554      3.84407465
  H     -7.91305814      6.64552502      2.88294505
  H     -8.56908289      3.51927587      4.80540609
          69
 Energy    -250.79015702730925     
  O     -2.37680238      3.05067942     -3.62771919
  H     -2.41819871      3.48628105     -4.47508952
  H     -4.24746312     -0.19081591      2.35671735
  O     -5.27710433      3.01705383      0.06889726
  H     -2.88847643      3.60025170     -3.00637509
  H     -0.52833874      2.41964024      1.75869485
  O     -3.04776168     -1.08287468      1.32645970
  H     -4.50436435      2.43070853      0.02476944
  H      0.68507405      1.89678430      2.55158127
  O     -0.12661482     -0.42551990     -1.41286966
  H     -6.01106451      2.43530645      0.29424954
  H     -1.39032894      4.08409055      0.26449787
  O     -3.78274443      0.74954876     -2.69504822
  H     -3.35145003     -1.74398051      0.69175815
  H     -0.65356703      2.97292239     -0.56506480
  O     -4.14250977     -2.73916158     -0.65038666
  H     -2.08486238     -1.13938841      1.39583718
  H      2.60903443     -1.00815050      0.47670801
  O     -2.29205915     -1.62449485     -2.52764199
  H     -0.84409135     -0.91075140     -1.84629540
  H      2.54399233     -0.09008581      1.71022846
  O     -0.10000623      2.27800577     -2.10686982
  H     -0.26305939     -0.48705645     -0.45833114
  H      2.44924433      1.99469769      1.02398383
  O     -0.34061682     -0.66905901      1.38193727
  H     -3.40321566      1.46667887     -3.21286860
  H      3.24027953      2.31788185      2.31169086
  O      2.59681682     -0.70430120     -1.43461991
  H     -3.51312638      0.93170600     -1.77988476
  H     -1.89004794      2.14544581      3.36485141
  O     -6.80943151      0.82500623      0.91182359
  H     -4.80605469     -2.06755229     -0.89456055
  H     -2.70518494      2.42136553      4.64126926
  O     -4.82051482      0.48595753      2.74660944
  H     -4.58648774     -3.58248084     -0.65700054
  H     -5.29874056     -0.13360665     -1.89697529
  O     -0.28014478      1.89975051      2.54139773
  H     -2.84806924     -2.15324369     -1.94362050
  H     -6.17851624     -0.15716435     -0.61400841
  O     -1.03746992      3.18683419      0.29682257
  H     -2.82334284     -0.84814804     -2.75389138
  H     -3.05185428      0.55025402      0.43731186
  O      2.38863878     -0.99688410      1.41684191
  H     -0.81098431      2.52083619     -2.71256580
  H     -2.36009428      1.92841282      0.09564574
  O      2.48175209      1.84062212      1.98537710
  H     -0.16548361      1.32426970     -1.94545967
  H     -2.10686565      6.57206056      0.57090234
  O     -2.78339002      2.33308857      3.69326221
  H     -0.38635131      0.18821080      1.82534924
  H     -2.90284884      5.32055345      1.02315228
  O     -5.80612183     -0.71029681     -1.31114060
  H      0.57665410     -0.96625509      1.46361665
  H     -3.28264299      5.03228291     -1.18722673
  O     -3.10123137      1.34510150     -0.10743990
  H      1.62778426     -0.68224626     -1.52317980
  H     -4.45677906      4.04779924     -1.29636451
  O     -2.31093456      5.67260998      0.33205936
  H      2.92617122     -1.23982661     -2.15138241
  H     -3.55970048      3.75036613      2.66589629
  O     -3.78287254      4.50217989     -1.81905618
  H     -7.65703176      0.66698293      1.31872575
  H     -4.52797224      3.97553041      1.47863979
  O     -3.92724541      4.42838983      2.08737439
  H     -6.13842432      0.70639048      1.60830082
  H      1.65015084      2.30541099     -1.27082968
  O      2.40962564      2.04656262     -0.73557429
  H     -4.21852130      1.14512059      3.10787292
  H      2.63963562      1.15678659     -1.03445179
          69
 Energy    -250.78841908920469     
  O     -4.00147395      3.96611091     -2.40554187
  H     -4.31554426      4.26869549     -1.53387427
  H     -5.84903695     -1.34571803      4.05515477
  O     -6.73569471      3.70356596      1.91541057
  H     -4.13917057      4.68964869     -3.01114704
  H     -0.00082143      0.69979694      2.28939686
  O     -4.25412397     -1.79738857      0.95284881
  H     -7.56570900      4.10016271      2.16816882
  H     -1.18679769     -0.18112768      1.84228231
  O     -1.62984327     -0.22353027     -2.04363585
  H     -6.89807887      2.74844708      1.83086240
  H     -1.64023947      1.89071616      1.54803319
  O     -5.33426766      1.47981927     -2.13175854
  H     -4.85753540     -2.11868284      0.26991003
  H     -3.00360798      2.05632396      0.83888822
  O     -5.85939066     -2.45129470     -1.23553790
  H     -4.76054887     -1.63642645      1.75912485
  H      1.46925650     -0.80056647      0.69408720
  O     -4.22271101     -0.99751581     -2.80033208
  H     -1.68085888      0.74021515     -1.97544702
  H      0.25884207     -1.69554823      0.37770127
  O     -1.62414521      2.55625319     -1.68290943
  H     -0.72867016     -0.43625946     -2.31628736
  H      2.45799520      1.38577629      1.70027226
  O     -1.58392298     -1.35914172      0.51866876
  H     -4.94350192      1.30986590     -1.26009814
  H      1.44439897      1.38739205      0.53270564
  O      1.13042069     -0.69552120     -2.39300854
  H     -4.98650013      2.33639881     -2.40117942
  H     -6.99505457     -0.91633549     -0.96414318
  O     -6.90569752      1.01128337      1.65023517
  H     -5.25420002     -2.00025498     -1.85407384
  H     -6.86923371      0.54904140     -1.41057316
  O     -5.57666341     -0.89346296      3.26172436
  H     -6.13681556     -3.25840935     -1.65974046
  H     -3.76757755      1.64460913      3.78135403
  O     -0.93302341      0.51863239      2.46386997
  H     -4.63861278     -0.12493176     -2.76562149
  H     -2.59642412      0.65670927      3.50736088
  O     -2.15667389      2.49884502      1.00449511
  H     -3.28707583     -0.84367153     -2.61711659
  H     -4.18282798      0.04675947      0.52249243
  O      1.19767177     -1.57039061      0.17932439
  H     -1.75773467      2.57435845     -0.72238417
  H     -5.19392331      1.14504747      0.89298011
  O      1.63524026      1.00333254      1.40702751
  H     -2.35477855      3.05870591     -2.06036888
  H     -2.41779216      4.11712410      1.59707836
  O     -7.37260300     -0.03832243     -0.83108771
  H     -2.46957807     -1.68769760      0.72208489
  H     -1.91675019      5.50604530      2.06367056
  O     -3.50511536      0.71259179      3.82029031
  H     -1.63390041     -0.95200244     -0.35797385
  H     -5.54093852      4.40467454      0.60563161
  O     -4.36358400      0.99016892      0.42548284
  H      1.69587514     -1.18288880     -2.98530528
  H     -4.11776779      4.98156527      0.67612923
  O     -2.70471254      4.98644422      1.93081174
  H      1.22851982     -1.09788798     -1.51105307
  H     -3.79574707      3.98781985      3.17351509
  O     -4.82251704      4.74570054      0.05982176
  H     -7.19256707      0.59673958      0.82075385
  H     -5.23990837      3.48660632      3.11482415
  O     -4.39798011      3.34286239      3.56245961
  H     -6.59727875      0.32262087      2.25185393
  H      0.23631427      2.25006472     -1.39371247
  O      1.08409481      1.87440308     -1.12548350
  H     -4.81781752     -0.32872514      3.50522328
  H      1.20095728      1.08365114     -1.66742386
          69
 Energy    -250.78737924029718     
  O     15.03055447     11.25341497    -12.06530316
  H     15.42818785     10.65116401    -12.70410813
  H     18.91639692     11.53744702    -12.49953398
  O     18.27415532      7.92105229     -4.65064818
  H     14.88899687     10.72266798    -11.27036468
  H     22.70862945     10.51101052     -9.67781559
  O     16.84801446     13.31421328     -8.66882376
  H     18.29603989      7.82358077     -5.61626176
  H     21.35573922      9.96713426    -10.19986839
  O     15.47060560      8.61249201     -4.39299956
  H     18.70987812      7.15195850     -4.29057133
  H     15.96652156     12.77717413    -11.72277306
  O     19.06491131     13.39109785    -12.41085595
  H     17.63892931     13.77675535     -8.36374496
  H     16.49603267     13.58830627    -10.51367595
  O     19.35560707     14.33592036     -7.81191541
  H     16.45979454     12.87924759     -7.89745482
  H     18.87067577     11.17601286     -4.47671572
  O     20.43677881      8.80674701    -11.08753068
  H     15.47852356      9.50956375     -4.03642074
  H     18.54924966      9.72167041     -4.04659514
  O     18.27671360      7.90642084     -7.42117292
  H     16.38320978      8.30155870     -4.33867775
  H     16.47695116      8.10086749    -12.24191369
  O     16.21833847     11.75325222     -6.42457775
  H     18.14423079     13.47953045    -12.09784645
  H     15.92157056      8.21918651    -10.81350109
  O     15.30115792      9.60688635     -9.77893013
  H     19.19056208     14.05154807    -13.08612785
  H     18.45803515     10.58066194     -9.05871847
  O     15.71413380      9.08325033     -7.09643976
  H     19.81943787     13.96207006     -8.58375411
  H     17.49451089     11.74394189     -9.42607258
  O     18.67881991     10.62967468    -12.27624463
  H     19.65524083     15.23571998     -7.71697917
  H     19.19067167     12.97147480     -6.55820572
  O     21.76780936     10.66327800     -9.65589234
  H     19.87218795      8.12264442    -10.70974514
  H     18.01620445     12.01953120     -6.21197405
  O     16.55229818     13.50746333    -11.47336975
  H     19.86671725      9.35897234    -11.64069840
  H     19.60355582     10.86872123     -7.16149586
  O     18.52044639     10.64080019     -3.75223044
  H     18.35037869      7.42591595     -8.25411493
  H     20.54144289     10.34849320     -8.31087182
  O     16.45567285      7.65304449    -11.38842341
  H     18.85715942      8.67922512     -7.50976659
  H     17.83159188      7.10197059    -10.51913633
  O     17.77785081     10.85658931     -9.68376721
  H     15.96871344     11.76222045     -5.49206123
  H     18.77968696      5.91936253    -10.22108432
  O     18.96906315     12.15508655     -6.09346399
  H     16.03135440     10.85916371     -6.74437003
  H     20.07436437     13.27909975    -10.82107236
  O     19.75213941     10.15120949     -7.79284966
  H     15.16405777      9.37083394     -8.85350813
  H     20.97255778     12.37358147     -9.93540658
  O     18.61884250      6.83569493    -10.00976816
  H     16.17294117     10.03245380     -9.79678216
  H     16.84619914     11.14325178     -3.57386607
  O     20.52005131     13.22444286     -9.96662936
  H     16.55520126      8.64174913     -7.27319574
  H     15.66797122     11.84641763     -2.85541434
  O     15.89993599     11.36484104     -3.64458265
  H     15.45839576      8.84474530     -6.19438213
  H     16.79696228      9.34014209    -14.56442595
  O     16.63219313      9.40088752    -13.62721441
  H     18.30377751     10.67513296    -11.38169127
  H     17.40521911      9.84009213    -13.23268912
          69
 Energy    -250.78692768701734     
  O     12.33428535     11.15026836    -15.22580240
  H     12.63073865     10.41337127    -15.77746687
  H     14.69002953      5.87747738    -15.68114285
  O     15.58374002      6.89733315    -12.91369444
  H     13.02984373     11.81693416    -15.26526738
  H     20.54239317      6.64608686    -12.96171889
  O     17.36260688     10.45101882    -11.43710258
  H     14.83316188      7.01193171    -12.31621344
  H     19.27086948      6.65572753    -13.83704228
  O     17.69858850      9.81127740    -15.62239918
  H     16.37057150      7.11420343    -12.39759261
  H     15.73300145     10.85870688    -17.73160666
  O     12.79822049      6.30662607    -15.72541227
  H     16.76500799     10.90918962    -12.04346748
  H     16.77579200     11.06546209    -16.62643201
  O     15.61339140     10.14981771     -9.30499590
  H     16.90070329     10.45147919    -10.58571466
  H     15.32883059      8.37212323    -13.94130429
  O     13.66040173      7.50301730    -11.02398323
  H     18.36656846      9.92467698    -14.93373191
  H     14.61543997      9.08363680    -15.14385706
  O     15.30063357     11.47929193    -13.02879256
  H     16.86614874      9.60257059    -15.17068539
  H     10.37665487     10.41187446    -12.88771745
  O     17.04714754      7.65865983    -17.20930417
  H     12.52027809      6.64041957    -14.85257199
  H     11.63101802     10.52144228    -13.78722578
  O     15.83067388      7.25777782     -9.21101627
  H     12.12551056      5.69240786    -16.00772479
  H     11.70260258      8.27006245    -13.29872486
  O     18.48480902      5.97967684    -15.27865938
  H     15.63512142      9.21134182     -9.08513105
  H     12.48018616      7.22434000    -12.49347394
  O     15.62550361      5.88459074    -15.45069817
  H     14.79517120     10.28320286     -9.80100629
  H     19.56928019      8.98351194    -13.27718869
  O     19.68139786      7.04802001    -13.04790973
  H     14.26227323      7.30663360    -10.29594062
  H     18.82208184     10.20074833    -12.68374099
  O     16.06197199     11.51113069    -17.10489366
  H     13.61290580      8.46956207    -11.08457741
  H     17.57629170      8.65609889    -11.34481876
  O     15.28431489      9.18662897    -14.45604210
  H     15.25786345     10.64369440    -13.52308514
  H     18.41949379      7.41112318    -11.76377748
  O     11.27050202     10.09555499    -12.98828729
  H     15.09796608     12.16263701    -13.67610494
  H     15.93020463      8.58064183    -18.22756643
  O     12.04390475      7.36800362    -13.34203871
  H     17.38087149      8.39941639    -16.67800226
  H     15.30971481      9.03116130    -19.57112321
  O     19.35868649      9.91167011    -13.43293607
  H     16.52701061      7.09245736    -16.62137498
  H     14.11387911     10.77995535    -11.81741636
  O     17.65220324      7.69401795    -11.25071632
  H     16.54464081      7.32867524     -9.86671354
  H     12.65789822     10.28625930    -11.73688045
  O     15.25207044      9.15289425    -18.62723451
  H     16.15475795      6.69592623     -8.51161360
  H     14.57727264     13.86297568    -15.59163041
  O     13.49702003     10.28536136    -11.25907003
  H     17.58285595      5.63907580    -15.23132113
  H     15.10216574     12.46828075    -15.99936402
  O     14.56345736     12.94300651    -15.34146193
  H     18.47534671      6.52186636    -16.07388857
  H     13.95402033      8.97110355    -17.32871567
  O     13.41480880      8.92197412    -16.52881891
  H     15.64292765      6.15098833    -14.51806733
  H     13.14872592      8.00329708    -16.39586585
          69
 Energy    -250.78685290081120     
  O     14.99281855     13.56395980    -16.09769190
  H     15.47437858     12.97195426    -15.49765105
  H     13.81403514     10.67099542    -15.97504827
  O     16.92589825      7.97006170    -16.95314483
  H     14.51020614     12.99280937    -16.70436023
  H     17.24563204     11.14547884    -17.87180409
  O     15.54507317      9.78483144    -11.19816524
  H     16.19573299      7.80943605    -16.33240016
  H     16.68762574      9.71161148    -17.65317882
  O     17.76791333     15.59222036    -14.01976900
  H     17.02752387      7.17243453    -17.46738053
  H     13.45631421     11.40974673    -18.49048955
  O     14.92845691      7.73872571    -15.07092868
  H     15.24626672      9.14159021    -10.54410239
  H     14.83804498     11.15046571    -17.83657951
  O     14.43589322      7.68329195     -9.69076624
  H     14.75046598     10.10143763    -11.65252323
  H     18.11952122     13.01613821    -12.30323480
  O     15.39248827      5.99711375    -11.59851004
  H     18.25840869     16.35839367    -13.73429198
  H     19.00233496     12.69554636    -13.53461537
  O     16.25296429     11.73865070    -14.39041551
  H     18.18316473     14.82102633    -13.59359257
  H     18.25491695      8.44371065    -14.11113700
  O     13.25739953     10.79195456    -12.47959843
  H     14.30546668      7.16724953    -14.60528342
  H     18.27782697      8.43246466    -15.64686094
  O     16.81782192      8.01352306    -12.98082240
  H     14.53899937      8.62583752    -15.10153680
  H     12.46179616      5.68185388    -13.59329046
  O     18.95316830     11.43979097    -14.92595431
  H     14.80236113      7.00319683    -10.28447705
  H     12.84721679      6.97744773    -12.84089666
  O     14.04243378     10.32922528    -15.10262896
  H     14.47888468      7.33146751     -8.80617696
  H     14.23701758     14.09097080    -12.52554673
  O     16.45924963     10.59489964    -17.96693329
  H     14.66922379      5.90555594    -12.23058886
  H     13.41799721     14.03674327    -11.21589076
  O     13.92937715     11.46356772    -17.66541982
  H     16.05284240      6.54907586    -12.03997557
  H     16.59230620     14.32642755    -16.63729655
  O     18.81068723     13.37624670    -12.87477945
  H     16.28822015     12.00011724    -13.46258928
  H     17.71566919     14.98590134    -15.82759505
  O     18.77935677      8.71972322    -14.87519741
  H     17.16740676     11.58449430    -14.66099000
  H     15.65701789     12.82107246    -11.54700449
  O     13.18411502      6.28422386    -13.43701133
  H     13.36354333     11.73212129    -12.28914480
  H     16.31794294     11.43601641    -11.33985374
  O     13.90433698     13.49376665    -11.83089703
  H     13.39495181     10.67008767    -13.42990970
  H     12.54751360      9.13766402    -11.92357208
  O     17.52751995     14.56978509    -16.67738829
  H     16.18304319      7.94079772    -13.70713035
  H     12.97355596      8.06733033    -10.89468226
  O     16.48954356     12.34078373    -11.63719054
  H     16.47623958      8.69249837    -12.38356815
  H     15.89673913     15.31974735    -13.76374468
  O     12.42757485      8.21108136    -11.67784416
  H     19.01514779     11.70455127    -15.85138904
  H     14.80067121     14.67171505    -14.62404573
  O     14.96840307     15.05563326    -13.75257149
  H     19.01193280     10.47276560    -14.88847939
  H     18.32345442     13.16794263    -17.30301541
  O     18.70597312     12.31868394    -17.59047458
  H     14.87667332     10.75974006    -14.85037369
  H     19.37283510     12.52330248    -18.24042823
          69
 Energy    -250.78619020948912     
  O     13.17935864     12.78605143     -8.30185841
  H     13.14757886     12.71712085     -7.35154198
  H     11.29484376     13.42003259    -13.57760950
  O     11.41854847     10.35372791    -14.96881159
  H     13.69706596     12.02359752     -8.62120723
  H     16.86469481     13.37277346    -17.84394416
  O     14.53652603     10.73498434     -9.44584532
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  H     15.10185388     12.28367966    -12.49009913
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  H     17.42295696     11.93234986    -15.73418805
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  H     10.46610420      9.50653540    -13.50933858
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  H      9.63810253     10.12990383    -12.37670632
  H      9.86830887     12.14542751    -11.28241097
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  H      8.33166793     12.20369664    -11.43604081
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  H     16.81082088     14.74614531    -13.30655133
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  O     15.12107700     14.40679752     -9.69091447
  H      9.96826094     12.64586184    -13.48029182
  H     14.75445362     15.06958890    -10.28855782
          69
 Energy    -250.78367253253904     
  O     -2.46862083      3.55695652      5.18073525
  H     -1.51562480      3.45581758      5.36063809
  H     -3.42987053     -1.95288756      0.15734366
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  H     -2.78630293      4.25128071      5.75130786
  H     -3.84603606     -4.30462165      3.00742132
  O      0.17948435      3.04772563      5.44754637
  H     -2.14345591      3.56301344      3.28891086
  H     -3.29888221     -3.25699718      2.01463231
  O      1.17782153     -3.26941201      0.92588174
  H     -0.85009874      3.19130219      2.52920406
  H     -1.65296677     -0.08327903      1.95296986
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  H      0.58458472      3.18068982      4.58033930
  H     -0.81536934     -1.38999473      2.17292710
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  H     -3.84853464      0.16534969      0.81684664
  O     -3.11009632      0.89026366      2.36004310
  H      0.65944426     -3.27097420      1.74226708
  H     -3.55869391      0.33259460     -0.68298249
  O     -2.32041052      1.34904702     -1.77707236
  H      1.85528002     -2.59115710      1.02999078
  H     -2.77081338      1.66098133      5.23144195
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  H      1.25377126      0.30407206     -0.83174449
  H     -1.70753111      0.54430075      5.17881972
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  H      1.96401642      1.60424546     -0.39059070
  H     -0.38046633     -2.85096074      4.03767360
  O     -3.06691836     -2.06080787      5.42221667
  H     -0.47875992     -1.38964377     -1.22291328
  H     -1.48623688     -3.29512773      3.04934901
  O     -3.08673059     -2.83155360      0.38011919
  H     -0.57429573     -0.44024803     -0.01418586
  H     -0.47033521     -3.96402213     -1.69857737
  O     -3.31460565     -3.51444120      2.95506538
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  H     -3.10366743      0.72204504      3.31119736
  H      0.64071919      0.04075561      2.52923932
  O     -3.98327227     -0.25163486     -0.04539931
  H     -1.62513935      0.69926632     -1.57428486
  H      2.16146546     -0.21333456      2.54739728
  O     -2.65768656      0.71273531      5.09445353
  H     -2.43211336      1.34731718     -2.72480351
  H     -0.28928112     -3.10515465      6.63601575
  O     -0.57367671     -2.97902199      3.10156650
  H      0.55340293      3.46979633     -0.20514224
  H     -1.41215330     -2.40249560      5.83058828
  O     -0.61352116     -3.22973136     -1.10802861
  H      1.91526501      4.15887345     -0.45826909
  H      0.65274250      0.18708349      4.62375957
  O      1.45766191      0.25529084      3.00907410
  H      2.80373794     -0.48298411      0.53848797
  H      0.02604096     -0.70711381      5.71989768
  O     -0.44601583     -2.51287509      5.90586513
  H      4.03470917     -1.25342279      1.07495841
  H     -1.65031797      2.82709411     -0.82449574
  O      0.10133716      0.20661289      5.41971934
  H     -3.12966649     -1.10049003      5.33222770
  H     -1.56059942      3.54536786      0.54971591
  O     -1.17193503      3.50627268     -0.33363896
  H     -3.29049518     -2.44680636      4.56614131
  H      1.23101798      2.03753406      2.82016779
  O      0.97483031      2.96536145      2.71512171
  H     -2.30507487     -2.97954924     -0.16084883
  H      1.26849372      3.22358345      1.83318842
          69
 Energy    -250.78282926760386     
  O     12.01336734     10.56597213    -15.71375228
  H     11.58594892     10.24302682    -14.91069204
  H     16.54404637     11.72484549    -16.95906109
  O     16.56314892      6.43267103    -13.80933620
  H     12.57597891     11.30706882    -15.45941117
  H     16.08910823      7.93796792    -14.62796484
  O     17.43953517     10.27798971    -11.89937009
  H     15.71009822      6.36238592    -13.35943322
  H     16.47828509      8.83797617    -15.82926542
  O     18.36619112     11.36529239    -16.64147393
  H     17.19483309      6.77589495    -13.16002811
  H     11.29794862      8.31866871    -13.84741128
  O     14.21600928      8.79658540     -9.39199169
  H     16.62807308     10.52573861    -12.36539605
  H     10.05208096      9.00177748    -13.23168929
  O     14.13912248      6.63318824    -12.46301531
  H     17.22859060     10.25022152    -10.95751252
  H     17.23523883      8.00758931     -9.34260841
  O     15.17061167     10.77013476    -13.40686796
  H     18.61902197     11.12795550    -15.73085870
  H     17.82491635      7.14020884    -10.46172159
  O     17.51830189      8.79419666    -17.36971629
  H     19.04898746     11.94297722    -16.97213145
  H     12.62583230      7.26436163    -15.29399127
  O     14.85865059      6.01294234     -9.81157723
  H     14.30258581      7.83627727     -9.41428221
  H     12.83601120      6.64417383    -13.88489131
  O     18.61107525      6.71096881    -15.79834923
  H     13.81256925      9.04249444    -10.23693426
  H     18.60894625     10.59014039    -13.36399044
  O     20.33717698      7.98581913    -14.14726843
  H     14.32075072      6.27903185    -11.58314102
  H     19.60925112      9.73464293    -14.17397157
  O     15.60078194     11.80330843    -17.14984075
  H     13.89976356      7.56124321    -12.32596479
  H     19.17649631      7.71361922    -12.70436196
  O     15.85324076      8.74803547    -15.10037334
  H     15.42482279     10.08361205    -14.04464400
  H     18.04928713      8.57080657    -12.07153837
  O     10.96358594      9.15191816    -13.46694858
  H     14.77528804     11.49046991    -13.91131844
  H     15.77468843      9.55366276     -9.23856416
  O     17.34617970      7.09108309     -9.62286835
  H     16.75456949      8.91824765    -17.94812342
  H     16.77810475     10.39541891     -8.41489060
  O     12.16338400      6.94836456    -14.50763460
  H     17.91811041      9.66399888    -17.23344632
  H     14.66881120      9.26277971    -19.49499413
  O     19.11857810     10.56605756    -14.18294039
  H     14.77495789      5.25717883     -9.23656158
  H     14.43874703      8.98377800    -17.99226189
  O     18.40024143      7.66973050    -12.13378529
  H     15.77995631      6.32077363     -9.73722819
  H     13.93820866      9.86645577    -12.45371800
  O     16.69481382      9.87306724     -9.20809330
  H     18.25368906      7.32306861    -16.45556342
  H     12.47176002      9.33366992    -12.40786390
  O     15.05788458      9.37576586    -18.63176119
  H     17.86947539      6.42307571    -15.25065562
  H     14.53786422     12.35326629    -15.90306395
  O     13.33279706      9.28339481    -11.97539201
  H     19.78161683      7.50049541    -14.78397169
  H     13.83192020     13.53309205    -15.19089351
  O     13.96311961     12.58975664    -15.15187402
  H     21.22914083      7.66976727    -14.26039195
  H     12.94377516      9.19540918    -16.33745486
  O     13.52233855      8.44809719    -16.56031483
  H     15.37423437     11.05824297    -17.71795715
  H     14.30202245      8.51666613    -15.98922067
          69
 Energy    -250.78150522798882     
  O     11.96532688     10.30635576    -15.01814148
  H     12.52888941     11.08362483    -15.09378678
  H     16.85497148     11.22763331    -15.75615206
  O     15.93932901      6.65842137    -12.86246136
  H     12.35146775      9.62874081    -15.59158910
  H     14.56794170      8.54622800    -15.09678869
  O     17.42281385     10.84936875    -11.97351248
  H     15.28429854      6.69864798    -12.15278359
  H     15.43019407      8.01033397    -13.91143262
  O     12.87128699      5.65550785    -15.54041396
  H     16.74710066      7.08334317    -12.54403091
  H     10.08203705      9.34624935    -12.69795187
  O     14.79053702      9.79092105     -8.70468832
  H     17.44930646     10.94564794    -11.01307763
  H     11.33122850      9.61979544    -13.56969160
  O     14.00161934      6.99510296    -10.92980410
  H     16.50003180     10.97605165    -12.23507673
  H     18.12066070      7.90176979    -10.41219899
  O     14.78134846     10.95236898    -12.85215471
  H     12.25070144      4.97589026    -15.78922951
  H     17.81384786      8.92699673     -9.30624545
  O     17.33505709      6.68787743    -17.16623350
  H     12.62097643      5.95137962    -14.64592981
  H     11.73596588      7.43747171    -13.01416949
  O     15.50156671      7.00231629     -8.57161354
  H     14.12703709      9.83653743     -9.40538784
  H     12.78216262      6.55327577    -12.31268635
  O     18.11368254      8.36888878    -15.06539130
  H     14.92598862      8.85203861     -8.52669355
  H     18.15860942     11.21827429    -13.74989518
  O     15.70812165      5.44626959    -15.38815280
  H     14.44968694      6.85901752    -10.08570207
  H     18.51773063     10.25238820    -14.89057526
  O     16.00388157     10.98222584    -16.15009873
  H     13.73012966      7.92440179    -10.94828659
  H     17.94271370      9.10672637    -12.15162326
  O     15.27997792      8.77541105    -14.48376433
  H     14.45302851     11.61923410    -13.46611917
  H     18.44556329      8.10713580    -13.20943872
  O     11.01864757      9.17854784    -12.75892432
  H     14.91417171     10.14962276    -13.37981575
  H     17.53557025     11.37605998     -8.47199241
  O     17.86277925      7.97936225     -9.48485997
  H     17.74860135      6.04624313    -17.73727982
  H     16.36316728     10.50414595     -8.98284011
  O     12.22052313      6.60694546    -13.09560975
  H     16.75400695      6.19270051    -16.56001281
  H     15.82825698      9.59757027    -17.61942700
  O     18.33116107     11.18128155    -14.69890604
  H     15.64212967      6.41760690     -7.83205346
  H     16.18576206      8.09633878    -17.76461546
  O     18.19958950      8.18066157    -12.27872079
  H     16.38227599      7.27176273     -8.88954985
  H     13.73421972     10.19614233    -11.59356961
  O     17.28052666     10.77521621     -9.16696262
  H     17.18667375      8.55738277    -14.86729395
  H     12.33866951      9.54472040    -11.49081088
  O     15.50467080      8.75401352    -17.95575350
  H     18.08181418      7.77956258    -15.82830676
  H     14.65524961     12.03142214    -15.59375514
  O     13.16907444      9.66572426    -11.01357036
  H     14.74977768      5.41571157    -15.49362145
  H     13.84213218     13.33320150    -15.40922995
  O     13.91393616     12.43122375    -15.10800585
  H     15.86262280      5.70880455    -14.47078275
  H     13.98702465      8.38687898    -17.07323119
  O     13.31726070      8.29384141    -16.37840243
  H     15.71828926     10.20523210    -15.65107958
  H     13.11919615      7.35759521    -16.25412281
          69
 Energy    -250.78048338073040     
  O     13.71649644      5.30727121    -14.32289082
  H     14.32051991      4.62246910    -14.63178733
  H     19.84189563      5.23930962    -15.95528082
  O     18.40110756      9.16890446    -13.19783358
  H     13.31011097      5.69251967    -15.10833607
  H     18.98344258      6.84363300    -17.66081415
  O     19.32079903      5.00211303    -17.77585727
  H     19.12410953      8.91741319    -13.78341077
  H     17.93043604      7.51600009    -16.76243400
  O     16.75093847      4.15139405    -17.62022648
  H     17.67810853      9.46894766    -13.77108817
  H     16.86253746      6.44937757    -14.97275434
  O     14.58788779     10.95735516    -11.06041023
  H     19.77615291      4.49366552    -18.44130790
  H     16.40964182      7.93807187    -15.22323404
  O     14.45719403      7.05862645    -12.36347394
  H     18.41153219      4.65464277    -17.73377829
  H     12.86448901      8.38600363    -16.24746832
  O     16.25019967      9.72119142    -14.78533640
  H     16.39824433      3.79914074    -16.79389774
  H     13.18452177      9.40647308    -15.12455796
  O     17.52734507      5.09750502    -13.85699498
  H     16.14436062      4.85585728    -17.88392680
  H     15.96518041      8.07699555     -9.39006665
  O     14.30377525      8.34424735     -9.86935229
  H     14.42160617     11.82235948    -10.69564070
  H     17.09726716      7.72278486     -8.39358542
  O     20.26897609      8.34388202    -15.18776333
  H     15.55113642     10.81841754    -11.02496619
  H     13.51882412      6.47364480    -17.22253412
  O     15.76349257      3.41782500    -15.04790576
  H     14.16858764      6.39185775    -13.00417822
  H     11.99620597      6.19790734    -17.24252409
  O     19.96767341      5.45516174    -15.02183138
  H     15.41366873      6.98003984    -12.25923198
  H     17.68930115      7.72429606    -12.34128419
  O     18.67675836      7.70684867    -17.35285125
  H     16.03276900     10.08201595    -15.65354082
  H     17.23232862      7.19476633    -10.95626013
  O     16.59092459      7.08769106    -15.64193571
  H     15.43157998      9.71895794    -14.26859271
  H     17.27142378      9.62224933    -10.25731080
  O     13.07506492      9.31213519    -16.08029179
  H     18.43328945      5.14633825    -14.19848724
  H     17.76416272     10.07968661    -11.64441996
  O     16.93058144      7.98333010     -9.29483964
  H     17.47989761      5.62957643    -13.05170188
  H     16.06401455      9.30403526    -18.46421841
  O     12.70108876      6.54206546    -16.69951835
  H     14.17985646      7.80033043    -10.66026331
  H     17.32696648      8.42875367    -18.59302540
  O     17.25354042      6.98267398    -11.89711892
  H     14.24133297      9.25900301    -10.17028592
  H     14.00213966     10.13360546    -12.62588578
  O     17.24471737     10.35943172    -10.88038757
  H     19.75232073      8.23375927    -16.00359664
  H     14.00869749      8.64138328    -13.04701082
  O     16.46679596      8.60338781    -18.99406241
  H     21.07517120      8.79203961    -15.43325839
  H     14.38864686     10.07889144    -16.91918569
  O     13.88309653      9.54344644    -13.38012187
  H     15.76070616      2.55386394    -14.64287566
  H     14.94309432     11.36525232    -17.57614610
  O     15.19658086     10.49884476    -17.26821075
  H     16.41601011      3.95273162    -14.56136991
  H     15.49709212      7.13789477    -18.46485285
  O     15.14900770      6.45132086    -17.87939402
  H     20.19297818      6.39210055    -14.99079292
  H     15.58434752      6.60647871    -17.02494557
          69
 Energy    -250.78023187486207     
  O     -6.50176384      3.00440494      0.26213645
  H     -5.55509908      3.19993382      0.17292540
  H     -3.64484619     -2.39225470      2.62514953
  O     -5.49982538      2.83805962     -3.91586704
  H     -6.93203723      3.29916903     -0.54910293
  H     -1.33249092      3.57506532      1.68253955
  O     -5.87450868      2.12563393      2.89192825
  H     -4.63459528      2.77836608     -3.49185626
  H     -2.45664243      3.76120759      2.73590141
  O     -2.32711832     -3.12819766      1.46800108
  H     -5.70141371      1.94543929     -4.22365215
  H     -3.24649972      3.74209982      0.67640999
  O     -2.46552367     -1.54570664     -0.74317590
  H     -6.21016230      2.53877930      2.08663208
  H     -3.58944774      2.27039340      0.39551713
  O     -6.21429980      0.08737938     -4.33377270
  H     -6.08827423      1.18836551      2.81517958
  H      0.66621580     -0.55491163      1.71534914
  O     -6.36908160      0.26480914     -0.21893073
  H     -2.40745001     -2.62723597      0.63787845
  H      2.14256282     -0.22531638      1.39144037
  O     -4.45768200     -0.24224597     -2.15234428
  H     -2.21881441     -4.04439351      1.22623111
  H     -0.29001451      2.35153608     -0.25023168
  O     -3.17177143      2.24644041     -2.39217605
  H     -1.59911351     -1.26091778     -1.07444899
  H      0.31802893      1.53106306      0.91717140
  O     -0.47411106     -1.34385779      2.73663163
  H     -3.14795390     -1.21960728     -1.34435721
  H     -7.61976487      0.40492367     -1.62114511
  O     -0.03014783     -0.52074033     -1.42013580
  H     -6.95396547      0.24055353     -3.71770967
  H     -8.08953091      1.65361687     -2.38593902
  O     -4.21761010     -1.85354222      3.18318055
  H     -6.56084524     -0.41897075     -5.06298822
  H     -2.66749196      0.45983967      2.62197108
  O     -2.04168045      4.16769555      1.96410020
  H     -6.42649275     -0.16848837      0.64101185
  H     -2.80440191      1.19374233      3.96261648
  O     -3.78870599      3.17603029      0.11025319
  H     -6.41709061      1.21648460     -0.04729740
  H     -7.22906971     -1.06737553      2.86871985
  O      1.24778831     -0.06886046      1.10274384
  H     -4.96576472     -0.26600137     -2.97202483
  H     -5.69516555     -1.12872344      2.68572203
  O     -0.32054211      2.22548857      0.70753818
  H     -5.09480260     -0.09923105     -1.43508707
  H     -1.85234266      1.22784702      0.79951798
  O     -8.05969977      0.68986346     -2.43403834
  H     -3.39056776      2.70509018     -1.56636500
  H     -2.63844600     -0.03766031      0.33618045
  O     -2.55006968      0.34739035      3.57947832
  H     -3.54877542      1.35768943     -2.32387171
  H     -8.06089211      4.26461272     -2.65834441
  O     -6.49978888     -0.65158317      2.41629612
  H     -1.08156080     -0.74860669      3.19651400
  H     -6.82703868      3.36059567     -2.88811947
  O     -2.70152860      0.76550323      0.86517770
  H     -1.02425037     -2.04018034      2.35832921
  H     -3.78876428      3.41757886      4.87266414
  O     -7.58206694      3.52425529     -2.29529604
  H     -0.10367786      0.37420222     -1.77320804
  H     -4.39822140      2.66891861      3.66694274
  O     -3.55838359      2.92169195      4.09119274
  H      0.49297936     -0.44326951     -0.61193843
  H     -1.40124323      2.25364244     -2.30387960
  O     -0.44522688      2.22831072     -2.13013597
  H     -3.66601927     -1.12497844      3.50120320
  H     -0.03161180      2.77284961     -2.79513932
          69
 Ord_Energy   -250.780228    
 O   0.400491267       1.71467400       1.24549532    
 H   0.598968089       2.65621305       1.15103996    
 H    1.03063667       1.37673557       1.89306426    
 O    4.14832735      0.339727670      0.822678506    
 H    3.71169901     -0.178630456      0.128291160    
 H    5.07223892      0.472760528      0.573358476    
 O    6.64046001       1.14612615      -6.75207675E-02
 H    7.55427170      0.855386436     -0.172438323    
 H    6.67456055       2.03054690      0.329305410    
 O    9.62291241       3.33966041      0.397340208    
 H    9.66149521       3.90516162     -0.384160757    
 H    8.75067520       3.49551296      0.785206556    
 O    3.40838432       2.77076435     -0.412933081    
 H    3.66080379       1.95565617       3.51431482E-02
 H    2.82303572       2.53280234      -1.14773297    
 O    4.60146761       6.49987221      0.421202242    
 H    4.76897526       6.05670738       1.26120472    
 H    5.39522743       6.36356926     -0.110983163    
 O    2.09771967       6.51402426     -0.659272015    
 H    1.79640543       7.41848898     -0.688092530    
 H    3.00051665       6.53520918     -0.293596417    
 O    2.54653668      0.881710649       2.95651507    
 H    3.16508865      0.642971873       2.24453425    
 H    2.57451558      0.172533363       3.59360385    
 O    9.40092278      0.794545591     -0.524934053    
 H    10.1096973      0.220044196     -0.249568939    
 H    9.57894421       1.67088342     -0.137065992    
 O    1.75809002       2.20905352      -2.60074329    
 H    1.10125005       1.64150989      -2.17600656    
 H    2.35559964       1.62637937      -3.08820224    
 O    2.76870489     -0.828246176      -1.21995842    
 H    3.09490371     -0.542707562      -2.08196235    
 H    1.85334992     -0.524087131      -1.17036796    
 O    9.30546474       4.70605707      -2.11529708    
 H    9.10026264       3.83146429      -2.49115753    
 H    9.94075203       5.11332130      -2.69818115    
 O    3.67509127      0.395704001      -3.65184689    
 H    4.51945734      0.792950392      -3.37974858    
 H    3.81175852       3.20988894E-02  -4.52302027    
 O    6.88672352       3.69668460      0.972982585    
 H    6.85933828       4.34701538      0.256205797    
 H    6.35771561       4.06340933       1.69145858    
 O    1.52999258       4.26517010      0.930041671    
 H    1.51964557       5.10663605      0.461405575    
 H    2.23989820       3.75254226      0.509923279    
 O   0.193205684      0.419361919      -1.10808587    
 H   0.221535444      0.867314398     -0.243046239    
 H  -0.684422910       5.97312599E-02  -1.20231652    
 O    5.93072939       1.65422714      -2.74011517    
 H    5.59028769       2.56200528      -2.72483516    
 H    6.13240051       1.41839612      -1.82338822    
 O    5.25091553       5.01805067       2.81129813    
 H    4.43913221       4.52029657       3.01358628    
 H    5.49849939       5.47470999       3.61103916    
 O    8.71898651       2.17732882      -2.94861579    
 H    9.02763271       1.59875441      -2.24000502    
 H    7.78179312       1.97476971      -3.06091309    
 O    2.36264157       4.98343277      -3.10151315    
 H    1.97197115       4.10836220      -2.97877264    
 H    2.16513276       5.49270296      -2.30480909    
 O    4.84157038       4.13359404      -2.32373881    
 H    4.09061432       4.53010273      -2.78612590    
 H    4.46216202       3.73179555      -1.52632761    
 O    6.81201792       5.55729437      -1.09751642    
 H    7.67627573       5.40277863      -1.49665785    
 H    6.15427971       5.10944891      -1.65355515    
 O    2.95401669       3.68941593       3.25867009    
 H    2.36301255       4.00399446       2.56013536    
 H    2.84781909       2.73134255       3.28070974    
          69
 Energy    -250.77933945409183     
  O     16.21117589     10.33260506    -13.06433246
  H     16.51081108      9.50807103    -12.65779321
  H     13.22792318      8.57039901    -14.06718293
  O     18.25872639      7.86051794     -8.12849625
  H     16.38301402     11.02682517    -12.41799842
  H     13.56425795     12.42525936    -11.10595933
  O     15.25914581      5.96551860    -11.13222934
  H     18.74746200      7.53514809     -8.89489092
  H     13.58507330     12.39040101     -9.56105641
  O     11.86620923      5.56071638     -9.83988929
  H     17.80268033      8.65661133     -8.43141079
  H     18.69464019      5.93539745    -10.36802514
  O     17.48301975      4.75631650     -9.91253035
  H     14.53793775      5.65234364    -11.68920015
  H     20.08436881      6.38820243    -10.87960628
  O     16.68481010      5.78033973     -7.34701077
  H     14.87732701      6.17577127    -10.26696864
  H     14.19191922      7.45060425     -8.46547969
  O     16.64402973     12.22179735    -10.92962625
  H     12.64571590      5.77906041     -9.31136196
  H     15.01442204      6.19265275     -8.07329942
  O     10.38336403     10.71933890     -9.57436318
  H     12.18690705      5.38093681    -10.73107458
  H     11.73980502     11.52626244    -12.49795416
  O     16.77464172      9.84521229     -9.46168385
  H     16.70901459      5.01152293    -10.43411528
  H     13.06733505     11.18809930    -13.25588864
  O     13.16025649      9.11103533    -11.06906171
  H     17.23540605      4.91489990     -8.99314919
  H     10.95431974      8.32037878    -13.26194038
  O     10.72176258      8.03572587    -10.21082794
  H     17.24400404      6.55209736     -7.54816668
  H     10.13209031      8.27399719    -11.96475345
  O     12.84261128      7.90425151    -13.48753608
  H     16.90173931      5.50661300     -6.45985756
  H      9.92573891     10.30685403    -12.62929707
  O     14.07099297     12.70731157    -10.33073059
  H     17.13791684     13.03662878    -10.95082335
  H      9.15615388     11.64118918    -12.78615724
  O     19.24308730      6.71463608    -10.57318955
  H     15.72716150     12.45294655    -10.69249643
  H     11.77442608     11.24940936     -8.67474270
  O     14.26082205      6.49414821     -8.59622012
  H     10.15783243     11.03531086    -10.45600633
  H     12.30223841     11.94708961     -7.40092819
  O     12.70405510     11.53779658    -12.43270873
  H     10.34528996      9.75355399     -9.63076816
  H     12.64135414      4.67170898    -13.19980019
  O     10.11259839      8.59368357    -12.87879423
  H     16.81135990      9.21291683    -10.19534534
  H     12.86817274      6.18824970    -13.00378934
  O      9.93315797     11.25252854    -12.39423617
  H     16.82742659     10.72166373     -9.86159457
  H     14.22111434     10.54945634    -15.47459480
  O     12.58427177     11.51287782     -8.20184668
  H     13.04718503     10.00702246    -11.41265975
  H     14.83225163     10.26943014    -14.08033533
  O     12.94256698      5.32167980    -12.57001291
  H     13.61864545      9.17071452    -10.22322982
  H     13.72683466     10.04071742     -8.28565848
  O     14.00458240     10.24676261    -14.59715267
  H     11.56015279      8.43612202    -10.48731736
  H     15.15117987      9.55685757     -8.73860357
  O     14.25413374      9.26627575     -8.51727111
  H     10.94138572      7.12267451     -9.98249214
  H     16.33024895      7.36684437    -11.52645153
  O     16.98865627      8.07197933    -11.60553461
  H     13.01099666      8.23091406    -12.58750593
  H     17.84258086      7.67726238    -11.38908935
          69
 Ord_Energy   -250.778992    
 O   -4.09771585      -2.94178700       5.45868874    
 H   -4.82138634      -2.30199337       5.46500206    
 H   -3.34726286      -2.46409845       5.07964134    
 O   -6.39321804       2.25656819       8.27434254    
 H   -5.71910477       2.59212804       8.87771511    
 H   -6.22657537       2.67962694       7.42164660    
 O  -0.374772519      0.208143607       9.38488388    
 H   0.371566385      0.141007662       9.97645569    
 H  -0.552456856     -0.693970025       9.06239223    
 O   -4.61161470       5.15735197       3.99040198    
 H   -3.65104604       5.14847994       3.89827704    
 H   -4.95283079       4.68449163       3.22040176    
 O   -4.17252111       3.14899468       9.85141468    
 H   -4.12524557       3.76837420       10.5739155    
 H   -3.72157192       2.33528662       10.1433516    
 O   -2.65729427       3.12921286       1.49193978    
 H   -2.31096363       3.80645919       2.08791971    
 H   -3.61424446       3.25693130       1.47633457    
 O   -5.48589802       3.32376242       1.95386803    
 H   -5.51234293       2.56811905       2.56429410    
 H   -6.26499796       3.26076055       1.40717924    
 O   -1.76655161       4.84525776       3.62091327    
 H   -1.47683179       4.15775108       4.24331856    
 H   -1.09309626       5.52110004       3.63078141    
 O   -2.05972219      -1.10608661       4.85517645    
 H   -2.15345359     -0.432087898       4.16889429    
 H   -2.40061545     -0.696221054       5.66688013    
 O   0.381967455      -1.79220366       5.79833031    
 H   0.926735640      -2.24708176       5.16182280    
 H  -0.465849400      -1.60052478       5.35957384    
 O   -1.19916272       2.78521180       5.36452389    
 H  -0.540803790       2.19438934       5.75772333    
 H   -1.85821462       2.94879317       6.05544519    
 O   -2.91804624      0.854233861       10.4384956    
 H   -2.02533102      0.694659770       10.1070566    
 H   -3.44602418       8.85774717E-02   10.1741590    
 O  -0.813148856      -2.25007367       8.33038139    
 H   -1.64302850      -2.72529697       8.21343803    
 H  -0.370428503      -2.23381376       7.47176218    
 O   -3.30767202      0.165631577       6.95668364    
 H   -3.54806662     -0.238775387       7.79943466    
 H   -3.20395684       1.11301672       7.10628319    
 O   -5.70328331     -0.626706123       5.76027727    
 H   -6.31051254     -0.614377618       6.50900364    
 H   -4.85735035     -0.312442154       6.11753368    
 O   -3.38545585      -3.51620841       8.01460266    
 H   -3.50777388      -4.44387770       8.19882298    
 H   -3.65187383      -3.37573123       7.08901930    
 O   -2.47349811       1.19501591       3.43467617    
 H   -2.01896977       1.70346582       4.12112570    
 H   -2.46353483       1.73965561       2.63531518    
 O   -3.17267776       2.95735216       7.24436426    
 H   -3.97643781       3.12942529       6.73125029    
 H   -3.39132571       3.13222933       8.16701603    
 O   -6.94136858     -0.380130500       8.28760529    
 H   -7.81678724     -0.522671402       8.63646412    
 H   -6.78429222      0.582614481       8.30708218    
 O   -5.23626328       1.29874218       3.82439089    
 H   -4.27814913       1.20652974       3.71306777    
 H   -5.53777027      0.551635683       4.35704708    
 O   -5.49192095       3.29741263       5.80041599    
 H   -5.47754812       2.56574893       5.16992807    
 H   -5.26512003       4.08661699       5.28639698    
 O   0.366746664      0.965717018       6.69459963    
 H    9.79545116E-02  0.844263792       7.61343956    
 H   0.514066577       7.68591315E-02   6.35242891    
 O   -4.37401295      -1.16592407       9.19966698    
 H   -5.29341078      -1.00744784       8.94869137    
 H   -4.11979532      -2.04353452       8.88642979    
          69
 Energy    -250.77882118267394     
  O     16.56809993      9.89506004    -15.65536689
  H     16.22150391      9.37522897    -16.37643024
  H     15.78837429     11.51450089    -14.90211177
  O     17.05346093     14.34812116    -15.65117499
  H     17.43515181     10.22570782    -15.93960141
  H     18.25377250     10.83261503     -9.64398061
  O     21.44978303      9.74933976    -15.23859645
  H     17.72189949     14.13485137    -16.31129428
  H     18.90199710     10.55558220     -8.26833813
  O     19.93752303     13.43894970    -10.04341410
  H     17.48243092     14.95827704    -15.03792358
  H     20.04892608     18.42149236    -11.88290843
  O     15.41378333     12.84168690    -11.85022502
  H     21.08293838      9.28785671    -14.45995980
  H     20.45628154     16.99801178    -11.43474236
  O     21.21417681     10.00711757    -10.81154357
  H     22.11575004      9.17760444    -15.60906744
  H     21.46159844     12.90009876    -10.87992498
  O     16.84308970     10.65335621    -10.64426397
  H     19.66368683     12.63291660     -9.58895038
  H     22.85572742     13.38758279    -11.33690851
  O     19.07421209     11.04826407    -16.04485805
  H     19.22177699     13.65870057    -10.65906481
  H     17.16251563      9.41401191    -13.84794865
  O     20.83543342     14.58029935    -15.20964906
  H     14.53763288     13.14468215    -11.62916200
  H     18.15210548     10.31590678    -13.09028289
  O     21.15220978     15.96535372    -10.20985167
  H     15.40645699     12.62981376    -12.80222348
  H     19.30798832     13.42953529    -18.26477560
  O     21.64995094     12.27462614    -13.95880485
  H     21.74518204     10.80451851    -10.92254745
  H     19.20706049     12.58516795    -16.97191643
  O     15.53570612     12.34309820    -14.48399397
  H     20.49776641     10.24952363    -10.21218452
  H     21.93575304     15.77979346    -14.27911874
  O     19.07112522     10.93803143     -9.12527117
  H     16.29946145     11.37796822    -10.97394401
  H     21.66691832     16.86115822    -13.21557502
  O     20.16434115     17.52910235    -12.19763093
  H     17.03094582     10.09370713    -11.41006063
  H     19.09528735     16.46959817    -13.28629117
  O     22.28064819     12.61263517    -11.31131760
  H     19.88433675     10.53291362    -15.93993694
  H     19.44477892     15.33795412    -14.27968745
  O     17.67799009      9.46888808    -13.03662635
  H     18.90587564     11.44659938    -15.17413607
  H     23.21286043     15.51553940    -12.30065064
  O     19.26623174     13.49252067    -17.31389200
  H     20.39752884     14.30777530    -16.02383438
  H     24.47040625     15.41774478    -11.40522027
  O     22.36632413     16.32262463    -13.60581998
  H     21.17139269     13.77307223    -14.79066653
  H     19.42436531      8.71262004    -13.01832181
  O     18.70774301     15.75950470    -13.81348946
  H     22.03792043     15.71269080    -10.49733879
  H     20.72218624      9.04532161    -12.24601931
  O     23.57779031     15.09682000    -11.50049269
  H     20.69858245     15.13848673     -9.99796301
  H     19.89593046     12.02009267    -13.47377019
  O     20.38527591      8.63937838    -13.05950023
  H     21.77578355     11.39580862    -14.33515285
  H     18.56190191     12.59738784    -12.91345819
  O     18.93962563     11.88953544    -13.44763293
  H     21.98430643     12.29596076    -13.05073888
  H     17.03021433     13.71958274    -11.83143150
  O     17.96547734     13.95647763    -11.86643847
  H     16.02125678     13.04899146    -14.93763876
  H     18.10263379     14.64626910    -12.53034442
          69
 Ord_Energy   -250.778549    
 O   -9.36339474       2.79743171       2.25846314    
 H   -8.51016808       2.60371184       1.84165275    
 H   -9.22381878       3.59736347       2.77779555    
 O   -4.46153927      -2.25961328     -0.536565900    
 H   -5.41550398      -2.28854775     -0.338067472    
 H   -4.27915668      -2.99074554      -1.12011278    
 O   -8.51524544      -2.95997810       2.28323030    
 H   -9.28193092      -2.40729737       2.47935104    
 H   -7.99853134      -3.02633548       3.09414577    
 O   -8.35146427     -0.151147291      -1.17443383    
 H   -9.08832836      0.171175525     -0.634161830    
 H   -7.79078054      0.608462214      -1.36321425    
 O   -6.82867050       2.30724478       1.24250317    
 H   -6.59283876       1.40254080       1.49674833    
 H   -6.72853136       2.35759163      0.284616023    
 O   -6.20718098     -0.245516866       2.01278353    
 H   -5.28226471     -0.503531754       2.09900951    
 H   -6.60234880     -0.855990946       1.37551117    
 O   -8.54773808       4.83950424       4.10142040    
 H   -8.87763500       5.70132494       4.34070969    
 H   -8.73938847       4.24690247       4.85008860    
 O   -8.94797516       2.94988704       6.02518320    
 H   -9.45393562       2.25029659       5.59213161    
 H   -8.06223774       2.58761549       6.15463543    
 O   -4.21913099      0.561092973      -1.04835236    
 H   -4.28401995     -0.398638338     -0.977228165    
 H   -3.63070655      0.844626248     -0.337787390    
 O   -9.93662357      0.924295843       4.24914694    
 H   -9.79547501       1.58105814       3.55080032    
 H   -9.09276772      0.457715094       4.36022902    
 O   -3.52742696       2.27447844       3.39119005    
 H   -4.29099083       2.86114931       3.45408392    
 H   -3.54812336       1.71123028       4.17386913    
 O   -6.87162590      -2.99552441       4.70473576    
 H   -5.94979954      -2.68711281       4.63257837    
 H   -6.86815834      -3.72373652       5.31989241    
 O   -6.03699541       3.60822272       3.53208303    
 H   -6.77554750       4.19558525       3.73132634    
 H   -6.25247192       3.19701076       2.68042636    
 O   -7.06375265      -2.12626958      0.131289586    
 H   -7.62997866      -2.53267789      0.803040385    
 H   -7.58506966      -1.50128567     -0.398204356    
 O   -7.50323915     -0.317042649       4.43392992    
 H   -7.40223742      -1.23491096       4.71210194    
 H   -7.07643938     -0.258613706       3.56566119    
 O   -10.7747488      -1.22697318       2.73527169    
 H   -11.6697569      -1.51219904       2.90588069    
 H   -10.5956669     -0.493566543       3.34565496    
 O   -3.86401486      0.637423694       5.73583269    
 H   -3.37898564      0.779184163       6.54554939    
 H   -4.72962475       1.06442475       5.85138702    
 O   -2.50268579       1.17547023       1.15397000    
 H   -2.87164617       1.63502944       1.92947710    
 H   -1.61074579       1.49516857       1.04610360    
 O   -4.37185621      -1.93862665       4.53476667    
 H   -3.99521995      -1.83826578       3.64973497    
 H   -4.17917871      -1.11365330       4.99529791    
 O   -6.45661592       2.01420975      -1.49896765    
 H   -6.36069059       2.52965188      -2.29491520    
 H   -5.63619375       1.49860477      -1.39525962    
 O   -3.57097483      -1.29839480       1.94281745    
 H   -3.78541088      -1.75083578       1.11578953    
 H   -3.07323718     -0.505293846       1.70586002    
 O   -6.33274603       1.82320774       5.68191671    
 H   -6.21833563       2.45767927       4.95928621    
 H   -6.75561428       1.03843498       5.29871941    
 O   -10.3337097      0.678785145      0.577320457    
 H   -10.5254679      -1.15085002E-02   1.22237408    
 H   -10.1656761       1.48127508       1.08519495    
          69
 Energy    -250.77704105446873     
  O     -4.16040798      0.62591722      3.29362616
  H     -3.36718106      0.09972430      3.11642368
  H     -3.44381088      1.43655512     -1.87643637
  O     -1.73423494     -0.56778329      2.69210482
  H     -3.84903501      1.53346497      3.38934453
  H     -6.79451714      3.36671823     -0.74816896
  O     -4.24865820     -1.66500794     -2.17324701
  H     -1.22182323      0.05481252      3.22118271
  H     -7.56531975      4.70380329     -0.83132089
  O     -1.90570487     -2.63192466     -0.83108073
  H     -1.50540463     -0.38738482      1.76794876
  H     -0.62673531      2.86821120      0.97782286
  O     -4.95299360      0.50315404      0.63268845
  H     -4.92618389     -1.87818345     -1.51524484
  H     -0.11681010      1.43171695      0.73761401
  O     -7.12787437      3.15882467      2.30058723
  H     -3.41814953     -1.99154562     -1.80934982
  H     -4.23826457      4.12639453      3.60643176
  O     -8.23959656     -0.32857077     -0.10431304
  H     -2.28085994     -2.81945183      0.04872768
  H     -5.05006176      5.20353772      4.35925413
  O     -2.81903302      3.08712873      3.33590955
  H     -1.42211705     -3.41087003     -1.09339003
  H     -2.58113408      2.97837813      0.00190893
  O     -4.67707421      0.79188802     -3.19593692
  H     -5.24716247     -0.39930906      0.45052751
  H     -3.01491542      4.33237630      0.62327658
  O     -6.04176532     -1.97820643     -0.08301447
  H     -4.78599598      0.58048411      1.57846242
  H     -4.74462886      5.26189458      1.75452905
  O     -5.61728102     -3.21912479      2.40495809
  H     -6.46741143      3.62847802      2.82250993
  H     -5.28987423      5.00865840      0.34002721
  O     -3.04419582      1.54437615     -1.00712710
  H     -7.11435077      3.56673556      1.42628492
  H     -5.64214548     -0.37879692      3.67723473
  O     -6.90068805      4.23785793     -0.33018602
  H     -7.87797204      0.39112904     -0.63569243
  H     -7.13308328     -0.41432709      3.28269272
  O      0.05719431      2.23744915      1.24160591
  H     -8.34650718      0.02933083      0.78694317
  H      0.35963147      1.79436061      4.40006513
  O     -5.05659970      4.64987859      3.58243355
  H     -2.65349422      3.26264702      2.39628980
  H     -0.13482577      1.91047510      2.93645069
  O     -2.33480702      3.64400360      0.65904565
  H     -2.01409764      2.68658841      3.68451039
  H     -7.92048129      1.62558658      2.46871535
  O     -4.51195849      5.31873725      0.82008854
  H     -4.62149679      0.76863053     -4.14684970
  H     -9.21362103      0.93825340      2.95974639
  O     -6.41549261     -0.95809846      3.62951903
  H     -4.52775382     -0.12046481     -2.88332775
  H     -3.77618187     -3.07392469      1.97468608
  O     -0.40708667      1.68225818      3.84512197
  H     -5.98317532     -2.51294065      0.71708842
  H     -2.48274595     -2.24589343      2.20500403
  O     -8.38091886      0.76955456      2.52559882
  H     -6.90617199     -1.53921328     -0.09857344
  H     -1.70080495      0.49187012     -0.42589406
  O     -2.86511922     -2.96053333      1.67984370
  H     -5.93077518     -2.43899294      2.89760900
  H     -1.19253618     -0.96310420     -0.35076445
  O     -1.05090997     -0.07918108      0.00954335
  H     -5.99550267     -3.98406674      2.82987310
  H     -6.06273802      1.35178827     -0.50228252
  O     -6.55167763      1.69844995     -1.26600818
  H     -3.67802556      1.15759322     -0.38072916
  H     -6.03383201      1.44734374     -2.04068571
          69
 Ord_Energy   -250.777023    
 O    4.01306343       1.30155957      -1.11079037    
 H    4.56246281       1.30286324      -1.90302122    
 H    3.09822774       1.23573220      -1.42382157    
 O    3.22859859      -5.06729317      -2.89500093    
 H    3.61098146      -4.72364235      -3.71606326    
 H    3.94005108      -5.25924826      -2.27140307    
 O    3.03548932      -4.73648453      0.954389334    
 H    2.99804235      -3.88823891       1.41445780    
 H    2.12283850      -4.96179581      0.739538312    
 O    1.37166524       1.16829884      -2.03613162    
 H   0.913925111       1.69715667      -1.37181926    
 H   0.988888025      0.278821498      -1.98477483    
 O    2.60011721      0.448633045      -4.46232843    
 H    2.10097194      0.806895196      -3.71653557    
 H    3.52072906      0.682178020      -4.29618120    
 O   0.421819091      -1.38800776      -1.91047990    
 H   0.265873700      -1.77401817      -1.03621435    
 H    1.74027197E-02  -1.94491959      -2.58512545    
 O   0.183255956       2.38685441      0.195488587    
 H  -0.494170785       3.03993392      0.347904086    
 H   -6.35699406E-02   1.59908545      0.713149309    
 O    1.83331132      -1.87736809      -5.61926889    
 H    1.81243122      -1.69947660      -6.55699635    
 H    2.11093831      -1.04779565      -5.19045639    
 O    5.30137253      0.924270809      -3.62484455    
 H    5.44522667      -3.78284492E-02  -3.58651280    
 H    6.06400394       1.30040932      -4.05603743    
 O    5.40392876      -1.78388667      -3.42783189    
 H    5.97261524      -2.17976999      -2.75107646    
 H    4.50099039      -1.89517307      -3.09108758    
 O    4.09643507      -3.64822340      -5.09830093    
 H    3.33145070      -3.10102129      -5.31227016    
 H    4.73805714      -3.04523134      -4.69933033    
 O    6.49342108      -2.90311122      -1.16733050    
 H    6.09414387      -3.77132893      -1.03152108    
 H    5.97413683      -2.29508042     -0.623381793    
 O   0.526399374      -5.15911961      -2.43107224    
 H   0.196086854      -4.49902630      -3.04905605    
 H    1.46890867      -5.26323986      -2.63236737    
 O    3.02823806      -2.36891723      -2.11658931    
 H    2.12752414      -2.02899599      -2.08204818    
 H    2.98716164      -3.31359601      -2.31009126    
 O    2.15529108      0.318901539       3.23429203    
 H    2.36224246      0.665420175       4.09792233    
 H    2.47485185      0.972074568       2.58576798    
 O    2.74203181      -2.07970476       1.88578558    
 H    3.41107512      -1.76907015       1.25597107    
 H    2.57732272      -1.34350932       2.48638678    
 O   0.273795784      -5.15323973      0.249649704    
 H   0.324792594      -5.18856382     -0.722822726    
 H  -0.258756638      -5.89406347      0.525607824    
 O  -0.249104708      -2.97853875      -4.13458061    
 H   0.480182201      -2.63152862      -4.67358160    
 H   -1.02526116      -2.97770476      -4.69003582    
 O    5.04069042      -5.35820436     -0.764977157    
 H    5.48529005      -6.13706255     -0.439955860    
 H    4.34820414      -5.14144087     -0.114503771    
 O    4.46551180      -1.25227523      -6.29383400E-02
 H    3.96973133      -1.72980797     -0.747404277    
 H    4.41488123     -0.321821839     -0.315130293    
 O    2.81567287       2.13062692       1.31698120    
 H    1.95754015       2.37544084      0.948192179    
 H    3.38217258       1.94254601      0.558082700    
 O   0.260359973      -2.38466096      0.646564186    
 H   0.124039553      -3.33761835      0.577496946    
 H    1.13168168      -2.26527786       1.05376196    
 O  -0.274114579      0.186288014       1.72180629    
 H   0.451706529      0.208291173       2.35881042    
 H  -0.279868573     -0.709470391       1.36214352    
          69
 Energy    -250.77702048493836     
  O     16.57901111     11.47249729    -12.42551112
  H     17.12241748     10.69185501    -12.25849933
  H     12.67648759      8.10370588    -12.51598154
  O     18.27801954      7.60005476     -8.19542194
  H     16.46884966     11.90622122    -11.57134170
  H     13.04302508     11.70459556     -9.02123445
  O     15.01449066      5.26463485    -11.59285144
  H     17.83470089      8.44380870     -8.34813550
  H     13.20415235     12.14859593    -10.48909955
  O     11.81794891      6.23193831     -9.91858910
  H     18.80934953      7.43640935     -8.98534806
  H     14.86837766      8.27522883    -14.40961696
  O     17.65321159      4.91898743    -10.62700898
  H     14.15903282      5.07495897    -11.99495357
  H     14.30210604      9.64485718    -14.81426978
  O     16.93152380      5.26320136     -7.86771554
  H     14.82380894      5.53867866    -10.68302346
  H     18.83425260      6.20390417    -10.77652150
  O     17.80270878      9.03956043    -11.65383986
  H     12.65676702      6.05878257     -9.47125669
  H     20.30933966      6.62407008    -10.97877715
  O     16.21835918     12.52554088     -9.76876056
  H     11.87984691      5.78517720    -10.77079065
  H     14.46211189      6.95825762     -8.80322797
  O     16.88834240      9.88033329     -9.15496048
  H     17.43093304      4.87523424     -9.68838830
  H     15.21833925      5.64617878     -8.48766836
  O     13.78993639      8.99358638    -11.37080678
  H     16.80933743      4.91001013    -11.09607100
  H     11.89861711     11.01973206    -12.24274804
  O     10.54925449      8.59804591     -9.55979504
  H     17.23922467      4.81266409     -7.08605915
  H     13.22419812     11.54555637    -12.91248508
  O     12.23288852      7.74764391    -13.30180520
  H     17.39652644      6.11885688     -7.90091030
  H     10.94404837      9.05292475    -12.76681270
  O     13.54117692     12.29802354     -9.59256713
  H     17.12200322      8.53131376    -12.12192571
  H     10.52566098      9.42208553    -11.33642067
  O     14.20078245      8.69729546    -14.96766204
  H     18.49073284      8.40805397    -11.41372086
  H     11.58998462      9.72679902     -8.59189089
  O     19.45159709      6.95616430    -10.72827260
  H     16.48869092     13.39248860     -9.47909390
  H     11.74391549     10.43901359     -7.22971467
  O     14.44839951      5.99966158     -8.94893830
  H     15.24937860     12.48528850     -9.67385278
  H     12.24552560      6.04098624    -12.89836442
  O     12.72552940     11.49980715    -12.08718381
  H     16.74348573     10.83057774     -9.24175516
  H     11.83243651      4.56314594    -13.09727271
  O     10.57776525      9.77151559    -12.23397193
  H     17.18311491      9.57148046    -10.02500819
  H     15.30639571     11.46551661    -13.61300566
  O     12.18573653     10.27959295     -8.06057539
  H     13.51030416      9.90398844    -11.52740194
  H     14.73135319     12.12020545    -14.89005506
  O     12.32355019      5.14564206    -12.52410618
  H     13.98050278      8.89422240    -10.43174541
  H     13.78008664      9.31234598     -8.31094970
  O     14.54938365     11.45938637    -14.22662975
  H     11.01712844      7.75415046     -9.69426473
  H     15.29005643      9.18275812     -8.75057292
  O     14.44574319      8.71540669     -8.67069243
  H      9.64562494      8.37217580     -9.35039033
  H     15.58168411      6.78158330    -12.49121583
  O     15.73029547      7.68336283    -12.80204702
  H     12.78297246      8.02963260    -14.04746963
  H     15.07532739      8.22601981    -12.33421172
          69
 Energy    -250.77660549344881     
  O     13.49895597      6.54594788     -7.89807673
  H     13.29527841      6.50109013     -6.96792190
  H     12.75114698      6.33460719    -15.30487107
  O     14.21750259      5.35971164    -15.67253268
  H     12.66003577      6.41794492     -8.37692514
  H     16.41673459      8.19105197    -11.85201787
  O     17.45644590      6.50943892    -14.16232285
  H     14.92889255      5.83548106    -16.11826475
  H     15.20506754      8.12366209    -12.81750635
  O     15.88615666     10.81468576    -14.05324110
  H     14.65348425      4.79252930    -15.02636171
  H     13.16885903      8.25340098    -12.23354634
  O     10.19181416      6.56535708    -12.90439212
  H     16.98813337      7.23103034    -13.71527519
  H     13.03385119      7.38591337    -13.53505899
  O     17.19641129      3.75931205    -11.17744459
  H     17.25253238      6.59831608    -15.10145542
  H     10.82798878      7.00086945     -9.75036616
  O     11.17112369      4.31649990    -11.43056975
  H     16.04171113     10.01118070    -13.52683988
  H     11.14575175      5.50812108     -9.95187514
  O     16.89783992      7.41269360    -10.30383016
  H     16.55785256     11.44379596    -13.80398130
  H     14.43623854      4.61652432    -12.51289438
  O     13.03995550     10.87665517    -13.73617688
  H     10.43372456      5.72597948    -12.49397472
  H     13.66355999      5.90538072    -12.13608342
  O     15.20047473      9.26434867    -16.34658481
  H     10.73933631      6.65039952    -13.69628411
  H     15.99390007      7.76021120    -16.62874860
  O     12.38719398      9.52529070    -15.98756167
  H     16.61750794      4.11585826    -10.49123880
  H     16.72372145      6.83233609    -17.63061331
  O     12.05817009      6.92702767    -14.97416346
  H     17.87792631      4.42896385    -11.31209208
  H     16.31526378      3.85913436    -12.79344850
  O     16.11558963      8.44801597    -12.73337250
  H     11.00883271      3.37907048    -11.49358527
  H     16.38210724      5.00219073    -13.81500698
  O     13.57089334      7.54121053    -12.74748314
  H     12.11501085      4.45301467    -11.62457014
  H     19.83446854      6.02909629    -11.95470344
  O     11.22950731      6.23485311     -9.32268254
  H     17.70327006      7.02661686    -10.66883528
  H     18.49716712      6.15705752    -12.71561341
  O     13.76338403      4.96666294    -11.91451780
  H     16.34634738      6.65953836    -10.04301061
  H     10.12081781      7.76333872    -11.65286635
  O     16.41430440      6.88684092    -16.73055750
  H     13.99664525     10.99219298    -13.78674244
  H      9.26539401      8.72293861    -10.79092301
  O     15.85564408      4.23271453    -13.56028890
  H     12.85006691     10.56893269    -12.83971968
  H     14.73788362      5.57709318     -8.90962970
  O     18.88772140      6.02333860    -11.83613818
  H     15.50730663      9.86356647    -15.65546645
  H     14.71654924      5.10441134    -10.38030919
  O     10.14155604      8.35748664    -10.88007385
  H     14.23743103      9.32440406    -16.33761899
  H     14.12274334      8.09298464     -8.80875991
  O     15.29718873      5.23002937     -9.61512817
  H     12.54497382     10.02849401    -15.16759440
  H     15.35315760      8.52921037     -9.61510021
  O     14.45737403      8.79428598     -9.38244051
  H     11.79593655     10.04894744    -16.52179710
  H     11.73664397      9.29809978    -11.01387238
  O     12.60580764      9.64838565    -11.24792373
  H     12.12096169      7.76748451    -15.44564830
  H     13.22745214      9.44250719    -10.53281375
          69
 Energy    -250.77599260935062     
  O     15.81101941      9.43627295    -16.38148306
  H     16.46017357      9.62303235    -15.69298178
  H     19.30756124      6.30642066    -17.58491650
  O     17.83483654      5.39078459    -11.97664917
  H     14.98447446      9.24157063    -15.92676335
  H     17.58939536      6.48873444    -16.04119371
  O     19.80099789      4.63718007    -18.23400507
  H     18.72073802      5.38576941    -12.35815044
  H     16.89310320      6.65002148    -14.64999632
  O     17.24079247      3.75859891    -18.29294756
  H     17.42134517      6.21220999    -12.28390849
  H     12.53898219      9.05681815    -15.12862220
  O     13.78303189      6.59286583    -10.02055406
  H     18.89525141      4.29268776    -18.33988570
  H     13.47348420      8.25484489    -14.19554814
  O     13.84651382      4.80709517    -13.76325064
  H     20.28767608      4.37798242    -19.01116294
  H     14.07773993      3.04214971    -10.71185430
  O     16.62613401      7.58262031    -13.06715389
  H     16.51725744      4.35695759    -18.51324264
  H     14.65969948      1.76089123    -10.06515963
  O     17.10927470      3.40291605    -15.50718016
  H     17.08939561      3.46173178    -17.38491058
  H     15.20096454      6.17980218    -16.00088508
  O     12.79412257      4.14463776    -11.21451240
  H     13.56345479      6.97197493     -9.17393440
  H     13.86372177      6.96840550    -15.98597878
  O     19.71869692      8.09904128    -14.72740891
  H     14.62855645      6.12197495     -9.90624632
  H     20.16159812      4.99289561    -14.13403023
  O     19.87526031      3.92142975    -15.46692130
  H     13.89488841      5.05971989    -14.69300598
  H     21.15139970      5.44783755    -13.03874943
  O     18.92925223      7.08265720    -17.15614063
  H     14.65111557      4.31234233    -13.55107220
  H     15.76648807      2.95562128    -12.12769942
  O     16.88979316      6.14396071    -15.47103560
  H     15.67562460      7.62973300    -12.90760838
  H     16.75315719      4.05285895    -12.60806389
  O     13.36371667      8.57744291    -15.10497684
  H     16.93796059      8.44951736    -13.35723068
  H     15.76181575      4.19560477     -9.90301031
  O     14.90444296      2.57243509    -10.50080581
  H     17.05261692      4.37265566    -15.50796083
  H     16.77674876      5.23112596    -10.42757087
  O     14.25787104      6.12265715    -16.23028552
  H     16.75135043      3.13251140    -14.65368944
  H     14.67884305      5.74514964    -17.93551039
  O     20.27204922      5.59659366    -13.37754395
  H     12.95497959      4.98266917    -10.76377349
  H     14.40004775      5.47893035    -19.43136080
  O     16.11224287      3.39404832    -12.91389812
  H     12.95581381      4.31457440    -12.15253515
  H     13.78152573      7.25486869    -11.73811057
  O     16.04816392      5.11218001     -9.80431879
  H     19.56754665      7.79841815    -15.63657583
  H     13.85075193      6.46145383    -13.06555136
  O     15.10240694      5.61257427    -18.79918011
  H     19.92947634      7.31050539    -14.21586261
  H     18.05736353     10.69571364    -14.01953950
  O     13.87468960      7.35727422    -12.69343270
  H     20.02508277      4.13789429    -16.39450905
  H     18.49799281      9.26680386    -14.42091174
  O     17.72242950      9.83266919    -14.24586707
  H     18.97264695      3.57769054    -15.42789912
  H     16.19520310      7.25120216    -18.72809533
  O     16.79161144      7.98728221    -18.55627151
  H     18.26400249      7.46071568    -17.75276323
  H     16.38358044      8.52963945    -17.86357316
          69
 Energy    -250.77587771170218     
  O     12.50349969     11.43934679    -16.62525221
  H     13.14510516     11.37283518    -17.34301986
  H     13.99591500      7.18240134    -15.55769219
  O     18.05841548      5.84364110    -13.59652704
  H     13.00212946     11.72826280    -15.84985110
  H     19.44811181      9.28165285    -13.88073376
  O     18.62348128      9.51022285    -10.58874243
  H     17.25244372      5.42419706    -13.91995964
  H     19.22811534      9.83595541    -12.45647513
  O     17.98072134     12.25048801    -14.43853794
  H     17.85463500      6.17335217    -12.71004218
  H     15.48648589     11.38995186    -15.66970688
  O     15.57098747      4.79569545    -14.52469696
  H     17.87001186     10.11216241    -10.71872709
  H     15.70105246     11.10275234    -17.17614870
  O     14.00011997      9.76403481    -10.18465204
  H     19.14212022      9.86674713     -9.87209452
  H     16.43749769      8.17303086    -12.60082801
  O     13.80924091      6.02140838    -12.60913895
  H     17.52264768     11.91269590    -15.21734672
  H     16.36637947      8.76914369    -14.03825138
  O     13.47613332      9.72654932    -12.88919818
  H     18.51499531     11.52419998    -14.08465309
  H     11.61280104      9.93535296    -16.57740617
  O     13.48039453      8.31096174    -18.22236712
  H     15.27626451      5.45246504    -15.17865543
  H     10.29692869      9.16375552    -16.83613367
  O     14.68472561      6.95617526    -10.21650365
  H     15.41289707      3.93670095    -14.90885363
  H     17.78234657      7.87317040    -10.91227931
  O     16.81921206      8.55182614    -15.78336482
  H     14.23298202      8.82976692    -10.10995299
  H     16.45018833      7.05692639    -10.76865271
  O     14.70886059      6.84386827    -16.11967561
  H     14.82470589     10.22983792    -10.37565628
  H     16.84231340     12.96721519    -13.38711580
  O     19.37875047     10.09753373    -13.37049872
  H     14.42024072      5.52216503    -13.16372647
  H     16.24063449     14.19672974    -12.65747397
  O     16.15793320     11.15554704    -16.32723262
  H     13.25337167      6.52546458    -13.21630391
  H     18.95267658      7.01266593    -14.49870934
  O     16.04706284      8.87497864    -13.13470207
  H     13.40085877      9.81737458    -11.93033152
  H     20.14290626      7.38003502    -15.42009661
  O     11.21875544      9.04536179    -16.62387533
  H     14.35810866      9.34629952    -13.03624337
  H     16.30008715     10.28574370    -12.00518128
  O     17.26836740      7.14043495    -11.27637658
  H     12.63054717      8.46623676    -17.79090416
  H     16.29187246     11.79815165    -11.67537354
  O     16.11371954     13.26454777    -12.80871435
  H     13.95209829      7.69271099    -17.65041757
  H     14.20425551      9.88081674    -18.50939493
  O     19.37036793      7.74100230    -14.99415098
  H     14.32466983      6.62480996    -11.05940091
  H     14.57228054     11.00798839    -19.50338870
  O     16.39923528     10.92424645    -11.28146566
  H     14.32466121      6.39985911     -9.53022748
  H     13.87832697     11.18971966    -13.87048743
  O     14.52250820     10.79905838    -18.57460523
  H     16.70461181      9.47885882    -16.03626660
  H     14.74715397     12.47491377    -13.86384709
  O     14.21728227     11.90267199    -14.43118275
  H     17.75770059      8.35863090    -15.66960509
  H     12.78529856      8.47826310    -13.94100626
  O     12.58184426      7.73887973    -14.53415670
  H     15.46457835      7.44680578    -16.03995150
  H     11.99950309      8.09472253    -15.21617131
          69
 Energy    -250.77575647317713     
  O     12.26520769      9.72133441    -11.09087145
  H     11.59355901     10.41295989    -11.10898087
  H     13.92251718      8.15931720    -13.26922972
  O     12.12594408      7.92046232    -13.23120478
  H     12.19717997      9.20484878    -11.90398268
  H     13.04114850     14.44691978     -7.88405892
  O      8.84162021     10.17154077    -12.50296886
  H     11.48616052      8.31643937    -13.83529447
  H     14.37671929     14.28641273     -8.63095003
  O     14.69361508     10.47131080    -10.16463367
  H     11.65864992      7.31428137    -12.63657131
  H     10.61907295     12.13589867     -9.45805585
  O     15.37921972      7.73647902    -10.39251708
  H      8.79968800      9.43670319    -11.87769678
  H     11.65490782     11.89846913     -8.31319565
  O     12.31583918     15.52514868    -10.87280333
  H      9.28663970      9.85100598    -13.29687254
  H     12.68606504      7.91789101     -8.45904571
  O      8.79221226      8.21917348    -10.40444919
  H     13.82838637     10.26543828    -10.55968339
  H     12.50061689      8.34778041     -9.92961777
  O     12.26720879     13.38697569    -12.59284086
  H     15.17847732      9.63907241    -10.16570112
  H     12.47849398      8.85151750     -5.99514997
  O     15.05592795     14.79922826    -10.34914566
  H     14.50185122      7.57504277    -10.00634432
  H     12.74888772      9.81751311     -7.17070189
  O     10.91294942      6.51252346    -11.21081603
  H     15.94775986      7.03556669    -10.08437104
  H     14.92014202     11.85882254    -11.26575401
  O     11.22298171     14.92459611     -8.28249763
  H     13.25774156     15.43431299    -10.68101814
  H     15.06437006     12.09080300    -12.78480096
  O     14.84025317      8.44779115    -13.15370017
  H     11.86552172     15.39757862    -10.02894023
  H     10.06523514      9.42492444    -15.67821448
  O     13.90226912     14.01287939     -7.83622003
  H      9.16211379      8.69303413     -9.63933608
  H     11.04320388     10.20957934    -14.77005980
  O     10.76418059     12.22411111     -8.50085377
  H      7.93514349      7.89874361    -10.13253489
  H      9.81429523     11.38612931    -11.68139663
  O     12.80994578      7.61883886     -9.36752161
  H     13.15143436     13.06711155    -12.37058981
  H     11.01563128     12.41572856    -11.72784557
  O     12.34962718      8.96270286     -6.93355489
  H     12.16045443     14.21886272    -12.10852966
  H     10.59675750      9.21340517     -7.74309316
  O     14.91314439     12.54720444    -11.94737445
  H     15.08123729     14.03827389    -10.95183411
  H      9.96039652     10.49434884     -8.28460432
  O     10.40497819      9.47255015    -14.78874299
  H     15.84636161     15.30650320    -10.51805131
  H     12.13111230     12.20592290    -14.04261532
  O     10.48317096     11.84833709    -11.15502237
  H     10.13883663      7.03164801    -10.95393903
  H     13.19104462     11.22970158    -14.57887829
  O      9.84516320      9.53656508     -8.25206557
  H     11.54847927      6.62673306    -10.49381017
  H     15.65870261     10.87426873    -14.96266909
  O     12.25101162     11.44055363    -14.61965889
  H     10.95095901     13.99230750     -8.32423670
  H     15.01920157     10.02449090    -13.83974504
  O     15.05415370     10.91823624    -14.22646181
  H     10.56442988     15.37902416     -7.76352885
  H     13.90876784     11.02725763     -8.62105944
  O     13.39114639     11.32778397     -7.86179397
  H     15.10323036      8.15758744    -12.27421200
  H     13.63430919     12.25425221     -7.71567271
          69
 Energy    -250.77541232559076     
  O     15.75055845     11.59355388    -13.93965980
  H     16.56772506     11.34238302    -13.49324868
  H     13.59809860      7.48959622    -16.82147029
  O     14.04097024      6.04269540    -14.05484850
  H     15.75455310     11.15207151    -14.79996372
  H     18.04506054      5.33333878    -14.28457027
  O     16.74638646      6.45412988    -10.37511419
  H     14.63082339      6.81497517    -14.05704160
  H     18.59281898      5.02974935    -12.88872365
  O     19.24637626      8.40048751    -13.17144602
  H     14.48621760      5.39737731    -13.49138180
  H     18.48768863      9.90251965    -12.73963882
  O     12.86457741      9.25720900    -16.78634313
  H     16.54860906      7.35904097    -10.66170004
  H     18.67871277     11.30732255    -12.12398347
  O     12.96948051      7.72976440     -8.94671037
  H     16.21099843      6.27661109     -9.59239710
  H     15.89803006      8.48405894    -13.04187185
  O     12.23217194      7.56336966    -12.61543682
  H     19.35197628      7.68654699    -12.53077240
  H     15.62078700      8.86875628    -14.54331375
  O     16.16387622      8.95947371    -11.27389254
  H     18.95019956      7.97105799    -13.98490339
  H     14.18491438     11.71361004    -13.20573360
  O     16.57113541      7.67319799    -17.58631100
  H     12.24617578      9.56740714    -17.44210086
  H     13.04804026     12.63640158    -12.70453857
  O     11.40472368      5.91146278    -10.51378899
  H     12.46021161      9.42813257    -15.91650591
  H     14.09212484      4.73906961     -9.58242676
  O     17.91622003      6.98567918    -15.19997872
  H     13.14265623      8.47185723     -9.53959258
  H     14.25766706      4.26682488    -11.04132481
  O     14.15275612      6.69915661    -16.80939193
  H     12.31380945      7.17959523     -9.39443094
  H     11.87950011      8.97676031    -13.74845826
  O     18.05877352      4.65319062    -13.59817001
  H     12.80352503      6.98585914    -13.14196627
  H     12.30203497     10.46424928    -13.83435261
  O     18.01499950     10.70214662    -12.44398902
  H     11.81741493      7.00731285    -11.94493457
  H     19.87776310      5.79999259    -10.76788175
  O     15.75057028      8.13678679    -13.92874768
  H     15.26064687      9.27797337    -11.13503775
  H     18.40365926      6.21713841    -10.97002231
  O     13.29906345     11.72171019    -12.80074058
  H     16.74290808      9.69457752    -11.50819481
  H     15.95532736      5.28957575    -11.61439936
  O     13.61356728      4.35253464    -10.32590698
  H     16.72291025      7.48681376    -18.50868756
  H     16.41823053      4.44463992    -12.80310871
  O     11.89649807      9.74610361    -14.33401260
  H     15.73131738      7.23956568    -17.34708233
  H     14.24937167      6.64254418     -8.48186050
  O     19.26592263      6.14486750    -11.41333923
  H     10.61833946      5.40224009    -10.33839595
  H     14.95963814      5.82661553     -7.37524825
  O     15.64521428      4.63151617    -12.25160531
  H     12.15460410      5.28919044    -10.49284168
  H     13.08738088      8.83363883    -11.62430180
  O     14.92390095      5.95861047     -8.31859453
  H     17.17303148      7.31386878    -14.66973528
  H     13.35977072     10.35890931    -11.54913481
  O     13.48630990      9.52701275    -11.07652875
  H     17.65314426      7.13636837    -16.11419860
  H     16.02911583      9.28019525    -16.67547617
  O     15.52163712      9.90099483    -16.13813854
  H     14.03802838      6.30258041    -15.93617444
  H     14.59771521      9.78302089    -16.39950622
          69
 Energy    -250.77463032208416     
  O     13.11573681      8.60109841     -9.51134673
  H     13.84121122      9.25474333     -9.54021577
  H     14.60107189     10.58577273    -14.93174710
  O     14.95499284     11.88585801    -12.05745772
  H     12.59677737      8.79729939     -8.73718527
  H     15.81723576      7.86328582    -13.38726159
  O     17.25859525     11.81030844    -13.82590090
  H     15.73304876     12.01175112    -12.61173221
  H     15.43370956      7.44474206    -11.91098523
  O     11.09690737      7.67101058    -16.02005496
  H     14.22801208     11.73152766    -12.67277967
  H     14.09258796      7.10022391    -10.05014966
  O     17.40317287      6.60402776    -10.04258664
  H     17.98881863     12.41350389    -13.93547447
  H     14.12626437      5.76338876    -10.85489669
  O     12.30618907      6.52771630    -13.73735731
  H     17.56619537     11.09852685    -13.23785260
  H     18.79393416      4.68354340    -12.57991268
  O     13.06312591     10.94687320    -14.01266497
  H     11.36789200      7.21575072    -15.21217546
  H     18.38710883      6.11475021    -12.99579168
  O     13.69822943      9.69333879    -17.56347874
  H     11.68693804      7.35351369    -16.71475122
  H     14.09326382      4.43525995    -12.49464167
  O     15.50477486      4.50362774    -13.46592334
  H     17.71675606      6.14392939    -10.82965865
  H     12.97191898      3.65301342    -11.76410600
  O     16.36541375      7.82115835    -15.15958333
  H     16.44787987      6.44950698    -10.01736363
  H     16.97655692      9.25760793    -12.26845728
  O     14.34935650      6.00265571    -15.59514830
  H     12.47269612      5.79953923    -13.12716968
  H     18.01787181      9.68765942    -11.22393245
  O     15.40848928     10.41769603    -15.43965342
  H     12.44142420      7.34357829    -13.23385817
  H     18.65572748      8.36160541    -13.22905334
  O     15.54524359      8.18626660    -12.51839492
  H     12.88364416     10.22164493    -13.39554397
  H     18.04067824      7.65854873    -14.44947568
  O     14.67730439      6.43333896    -10.43314126
  H     12.39900532     10.88116068    -14.70950315
  H     17.70809092      8.26968592     -9.61582855
  O     18.08383331      5.31867345    -12.52476215
  H     14.40383457      9.99303048    -16.97599245
  H     18.34728177      9.29315952     -8.64804719
  O     13.27508261      4.53266850    -11.97105719
  H     12.88138485     10.04906295    -17.19130802
  H     13.43045788      7.99202646    -17.84420160
  O     17.82023840      9.72680823    -12.16698506
  H     15.29276162      4.92297901    -14.30930287
  H     13.15836859      6.83500460    -18.83535363
  O     18.76772429      7.60007638    -13.81138203
  H     16.38850618      4.78677941    -13.20286228
  H     15.11248548     10.90460921    -10.51412464
  O     17.82338825      9.22144828     -9.44096670
  H     15.68798591      7.18912826    -15.43305511
  H     16.05308265     10.03517307     -9.62498001
  O     13.18272364      7.05167285    -17.90747597
  H     16.03310574      8.71240983    -15.33753684
  H     11.15241499      9.42127131    -16.05514028
  O     15.14301288     10.32869516     -9.73577493
  H     13.99906357      6.22890276    -16.46603801
  H     10.48304620     10.76218490    -16.43978750
  O     11.30314896     10.37996482    -16.13936486
  H     13.64633951      6.20306779    -14.96031494
  H     13.85612367      8.69989202    -12.41030429
  O     12.89829777      8.81755249    -12.29549173
  H     16.09737104     10.95604486    -15.03182036
  H     12.74776781      8.80818439    -11.34342021
          69
 Ord_Energy   -250.773300    
 O  -0.745109558       4.71046209      -7.93675709    
 H   -1.20479608       5.12729549      -8.66028690    
 H  -0.893140316       5.26222372      -7.14714146    
 O   -1.79156446      -1.76155603      -4.77162552    
 H   -2.65352821      -1.41338313      -5.02970839    
 H   -1.51820493      -1.22759974      -4.01341486    
 O    3.47758198       2.28388453      -6.61423397    
 H    3.03239465       3.09196067      -6.90547991    
 H    2.84376359       1.57132924      -6.76120043    
 O  -0.410208791       1.69739044     -0.723041832    
 H  -0.648987234       2.63097215     -0.749572575    
 H   0.525246024       1.67516840     -0.486209124    
 O  -0.306594491      -1.86033487      -7.04957104    
 H   -7.20080212E-02  -2.76435876      -7.24131584    
 H  -0.781322002      -1.87034583      -6.19841671    
 O  -0.905072987       4.51620245      -1.05197370    
 H   -1.55923879       5.05353689     -0.612356186    
 H   -1.17986572       4.44484997      -1.98122978    
 O    4.75239754       2.99915028      -4.31439877    
 H    4.31721592       2.70062256      -5.13303375    
 H    5.69029474       2.98937416      -4.48855829    
 O    1.30748010      0.750390410      -4.00336695    
 H   0.485117406      0.462048292      -3.58609080    
 H    1.23953044       1.71107721      -4.11276102    
 O   -4.08965445     -0.328576446      -5.77144432    
 H   -4.98279381     -0.588475108      -5.97905159    
 H   -3.60163450     -0.296140879      -6.61412334    
 O    2.38828993       1.88691521     -0.151521847    
 H    2.85774231       1.59298861     -0.952734232    
 H    2.84074688       1.49621141      0.590969563    
 O    3.57220054       1.15821028      -2.46489835    
 H    2.82581544      0.851098657      -2.99996734    
 H    4.07246065       1.75216544      -3.03517962    
 O    1.88673019       4.53413391      -7.00329685    
 H    1.98757875       5.36251640      -6.51630545    
 H    1.05794466       4.60006380      -7.49411392    
 O    1.08761442       3.46629596      -4.46483612    
 H    1.73592389       3.96020699      -3.94668412    
 H    1.27732301       3.67349315      -5.38776875    
 O   -1.46132588       4.15382576      -3.71157956    
 H  -0.560309410       3.89028192      -3.95938969    
 H   -2.03722334       3.43085217      -3.99327993    
 O   -2.59828544       1.84644186      -4.74034023    
 H   -2.01982379       1.93593717      -5.51366806    
 H   -3.26147914       1.18938041      -4.98290682    
 O    3.09298778       5.09324932      -3.39533854    
 H    3.75864172       4.43082476      -3.62042642    
 H    2.79544687       4.95428848      -2.48131466    
 O    1.95495749       4.54366016      -1.01211822    
 H    2.15513229       3.67518711     -0.639650881    
 H   0.994735599       4.63089991     -0.977711797    
 O   -1.16731441      0.227531925      -2.90710640    
 H  -0.974792242      0.682319641      -2.07343507    
 H   -1.68326712      0.832073987      -3.45750737    
 O   -2.45008349     -0.179287910      -7.94162893    
 H   -2.01995802      0.670671582      -7.77328300    
 H   -1.75615919     -0.838555217      -7.81465054    
 O    1.26989174      0.469523311      -6.72195625    
 H   0.845438957     -0.365102261      -6.95520210    
 H    1.32940614      0.474248797      -5.75305414    
 O   -1.02083027       2.05778599      -7.01683903    
 H  -0.161823675       1.61506701      -6.97116518    
 H  -0.906378686       2.93380761      -7.40180016    
 O    1.91123128       6.74201298      -5.22359848    
 H    2.30024743       7.61289549      -5.22415018    
 H    2.36117530       6.23679209      -4.52434492    
 O  -0.903909266       6.14414883      -5.64149714    
 H   -1.32605499E-02   6.42648268      -5.40045881    
 H   -1.21645522       5.57405758      -4.92628765    
          69
 Energy    -250.77315731233620     
  O     15.99958950     11.84476345    -11.30774901
  H     16.56543054     11.30125131    -10.74648293
  H     15.15041041      8.25871670    -16.25401608
  O     14.10554046      7.42660783    -14.93087711
  H     16.31423623     11.71055911    -12.21168805
  H     17.19438236      4.34273411    -14.39938305
  O     14.81011360      5.63352422    -10.70435126
  H     13.32766649      7.85139472    -14.54571778
  H     16.76640282      3.86543593    -13.00272364
  O     18.81075203      6.27787359    -12.30437530
  H     14.16061367      6.55272182    -14.52041475
  H     19.12195788      8.00596441    -11.91896483
  O     14.84785339     11.43597121    -15.91707816
  H     15.19945430      6.51863570    -10.63921040
  H     19.39302925      9.37063538    -12.60778255
  O     12.16231306      6.31081507    -10.38214846
  H     13.88223391      5.72473072    -10.44637177
  H     15.42595092      8.11586042    -13.91577361
  O     11.94316363      8.39943910    -13.47168644
  H     18.88401311      5.92626186    -13.19929584
  H     16.96921937      8.08477713    -13.89703222
  O     15.70316214      8.21695022    -10.74052097
  H     18.27906320      5.63556412    -11.82055713
  H     12.93832113     12.50795531    -10.95420248
  O     18.12199711      7.97249399    -15.47212040
  H     14.56369889     12.11492370    -16.52292628
  H     14.26950217     11.80967941    -11.32245067
  O     11.41105688      5.63353429    -13.09984465
  H     14.10285753     11.27461633    -15.30962468
  H     12.41221556     10.14569442    -14.02568530
  O     18.67538647      5.35988269    -15.01967005
  H     12.30592756      7.26469985    -10.44688376
  H     13.00131898     11.32237858    -13.22465370
  O     15.80636543      8.82042932    -16.69036401
  H     11.73909646      6.05124073    -11.20902918
  H     16.28365882      4.67194049    -10.91387416
  O     16.48855131      3.88371801    -13.92779901
  H     11.56608634      7.51327017    -13.41578907
  H     17.32293449      3.62533659    -10.45669265
  O     19.23052363      8.95545887    -11.75535673
  H     12.31632178      8.58682119    -12.59649302
  H     14.33156382      5.33699885    -12.48427363
  O     16.19911315      8.39111588    -13.40467529
  H     16.32533963      8.78846497    -10.27802900
  H     14.86180183      4.58937574    -13.72440449
  O     13.30012261     11.74297813    -11.39332808
  H     15.94196602      8.25445800    -11.68065254
  H     19.92721456     10.96175084    -14.59732080
  O     12.87990562     10.98463179    -14.12065778
  H     18.65077034      8.73588827    -15.21293230
  H     18.45713715     10.68522422    -14.20112540
  O     17.12448186      4.24668244    -11.15268775
  H     17.36551712      8.28977790    -15.99073037
  H     13.95603803      8.72891638    -10.84883938
  O     14.10933149      5.10282393    -13.39555562
  H     10.83507897      4.95720630    -13.44718619
  H     13.01061257      9.93895204    -10.99987780
  O     19.32478811     10.26832044    -14.34094913
  H     12.32142106      5.33997985    -13.27358383
  H     18.26562853      9.66032166    -10.52665308
  O     13.02774934      8.97446760    -10.97022814
  H     19.34736275      5.04305790    -15.61771186
  H     18.15439620     10.13948657     -9.05891717
  O     17.65271398     10.02527280     -9.86101548
  H     18.48651817      6.27958488    -15.27478610
  H     16.49471329     10.16053078    -13.67241690
  O     16.74162924     11.07005642    -13.90234070
  H     15.50307555      9.72407716    -16.54519650
  H     16.15803563     11.33116862    -14.62567786
          69
 Energy    -250.77277340179779     
  O     16.43774416      9.59993377    -15.94420849
  H     17.11745905      9.62629524    -15.25885677
  H     20.18518531      6.56509617    -18.21599145
  O     12.77764325      4.50640767    -16.09771604
  H     15.59364527      9.55007509    -15.48145092
  H     16.69322785      6.68664044    -16.20380928
  O     17.88962023      4.84149275    -12.11692320
  H     13.33779877      4.08213318    -16.75739585
  H     16.55978489      6.54111308    -14.65408251
  O     14.17489067      6.47935497     -9.89564202
  H     12.89884951      5.45675038    -16.23848255
  H     13.29662441      9.95428274    -14.26932527
  O     13.68895932      4.77052260    -13.52165400
  H     18.75466574      4.74255628    -12.53134944
  H     13.94011726      8.64226349    -13.76922164
  O     16.87249853      7.22056416    -12.97649302
  H     17.55992819      5.71488224    -12.37940713
  H     13.98879880      2.87710655    -10.72722145
  O     16.51811703      3.48504193    -15.81208160
  H     14.08491225      6.86088380     -9.02658628
  H     14.48449557      1.49206778    -10.24635996
  O     12.79795455      4.14984693    -10.95016949
  H     14.94038911      5.87753085     -9.85815848
  H     14.57263800      6.71387682    -15.99269303
  O     19.99349243      7.36179101    -14.77832094
  H     13.30256872      4.60388491    -14.39293633
  H     13.63641038      7.92311820    -15.82902665
  O     14.79939795      3.57526825    -17.95878034
  H     14.48177162      4.22482987    -13.44539098
  H     19.93564900      4.39517192    -14.46052033
  O     19.30278405      3.97042042    -16.01366403
  H     15.94382641      7.38830732    -12.76991722
  H     21.09554361      4.32244906    -13.43837074
  O     19.64186216      6.42702939    -17.44448081
  H     17.31811160      8.05447512    -13.16920589
  H     15.57515114      2.66400894    -12.34048559
  O     16.27882666      6.17155038    -15.49937049
  H     16.42739010      4.44865748    -15.71882750
  H     16.65915949      3.67514973    -12.78738155
  O     13.92563081      9.27647534    -14.50506572
  H     16.31554039      3.12238818    -14.94043565
  H     15.80100870      3.79462448    -10.01491399
  O     14.76980301      2.29776442    -10.66796060
  H     13.08097897      4.95018621    -10.49331077
  H     16.90336191      4.73525699    -10.53405858
  O     13.74669336      7.10340747    -16.32029551
  H     12.91998030      4.33761143    -11.89262230
  H     14.42742715      6.73840445    -18.05562699
  O     20.25886837      4.74618839    -13.61041479
  H     19.94970624      7.10071432    -15.70660970
  H     14.98228462      5.41366245    -18.59390232
  O     15.94569120      3.10676234    -13.11335153
  H     20.12596879      6.54577561    -14.28183135
  H     14.08403636      7.17062737    -11.60841917
  O     16.19932671      4.66272096     -9.87607752
  H     14.81505395      2.78387961    -18.49145098
  H     13.93963453      6.46906073    -12.98252843
  O     15.03484753      6.36977570    -18.71184545
  H     15.43758217      3.43779129    -17.23905213
  H     18.93681529     10.04546052    -13.50173893
  O     14.12993014      7.32227253    -12.56121471
  H     19.38183037      4.73343977    -16.59991946
  H     19.02482612      8.67729035    -14.22165953
  O     18.40677243      9.35651084    -13.89276699
  H     18.37542520      3.70118516    -16.02450519
  H     16.50436750      7.25512802    -18.18630623
  O     17.24432145      7.63670820    -17.68985875
  H     18.79868881      6.88395471    -17.61135895
  H     16.93809275      8.42362590    -17.21445929
          69
 Energy    -250.77272052271070     
  O     16.96391270      5.22326580     -9.12582689
  H     16.38893499      4.66995239     -9.67296003
  H     15.40397136      6.82526110    -17.35455269
  O     17.80733469     10.20468056    -13.28527967
  H     16.36737435      5.74195763     -8.57359563
  H     17.23983707      7.34138824    -14.34129196
  O     13.09246646      7.41318983    -13.00613427
  H     18.01230739      9.74313225    -12.45204999
  H     17.36342380      8.86792344    -14.49721196
  O     12.93842186      4.89220894    -16.42000512
  H     18.42693520     10.92590969    -13.35702235
  H     12.74686152      4.75727685    -14.64653557
  O     14.98599032     10.70951929    -13.03693812
  H     13.89434890      7.35529666    -12.46044454
  H     13.88649149      4.51949178    -13.63512377
  O     15.96389009      8.78017513     -9.48037725
  H     12.91655411      6.51600647    -13.31605921
  H     15.20873388      6.10031193    -11.10842421
  O     18.29464904      8.90370111    -10.96555621
  H     13.05805323      5.77288442    -16.79671861
  H     15.55406498      7.60117826    -10.81563669
  O     12.29466290      4.15277744    -11.08971117
  H     13.78609676      4.44397767    -16.53395668
  H     18.30443556      5.81377908    -10.09696429
  O     15.64641969      3.87580691    -16.46724414
  H     15.94614172     10.62312649    -13.08133875
  H     19.82269859      5.76860425    -10.37973712
  O     14.92103626      6.76228244     -7.81043396
  H     14.65068712     10.23263914    -13.80364878
  H     10.83204670      8.85228788    -11.16914954
  O     13.61270634      7.50710340    -17.39728846
  H     15.63442865      8.21568298     -8.77221541
  H     12.09914971      8.17741147    -11.74499303
  O     16.25223341      6.43576730    -17.10777695
  H     15.25521622      9.39303812     -9.73785201
  H     12.30635846      7.16280988     -9.77508453
  O     17.02477364      8.07573933    -14.93407591
  H     18.64083091      8.00963615    -10.87270175
  H     12.47369784      5.63489811     -9.87447182
  O     12.94354759      4.72885787    -13.69891821
  H     17.54277904      8.95956257    -10.35785117
  H     13.82806647      8.32389928    -14.37332310
  O     15.30579860      6.97405849    -11.50702061
  H     11.65538799      3.44831747    -11.01527547
  H     15.23724928      8.51934762    -15.01462800
  O     18.99957027      6.12301812    -10.70489489
  H     12.39899823      4.33479383    -12.03887424
  H     13.13372987      9.80344941    -10.59167014
  O     11.70077990      8.53620885    -10.93377840
  H     15.94198381      4.77231927    -16.70966902
  H     14.26757415     10.50755265    -11.38108272
  O     12.68057012      6.39686803     -9.32169640
  H     16.03949952      3.27719207    -17.09669502
  H     16.67395591      6.53633874    -12.53970769
  O     14.30605508      8.77697333    -15.08333020
  H     14.10614666      6.61257390     -8.32181091
  H     18.11451005      6.03072003    -12.37088105
  O     13.96043367     10.28560692    -10.48844636
  H     14.66860414      6.76479408     -6.89080101
  H     14.17010737      4.02592795    -10.84669646
  O     17.40883461      6.12167480    -13.02148531
  H     13.22732763      8.09498720    -18.04169193
  H     15.37199513      3.93795873    -11.82223450
  O     15.12353516      4.15495854    -10.91328945
  H     13.78535923      8.03866806    -16.60103410
  H     15.69983063      3.86483862    -14.61324284
  O     15.67477381      4.06425352    -13.66867266
  H     16.64256210      7.03537093    -16.45875375
  H     16.35314487      4.73838117    -13.51548738
          69
 Energy    -250.77192267259630     
  O     15.66279663     11.42763283    -11.01520485
  H     16.50722304     11.55601519    -11.45921993
  H     17.62094195      7.47683055     -9.03166437
  O     14.53389731      7.85142811     -8.55432603
  H     15.09775663     10.89800116    -11.60267079
  H     18.38773339      8.51594293    -14.87039188
  O     16.64482313      5.95728435     -8.47880069
  H     15.16146374      7.12512436     -8.46927308
  H     18.51217616      7.05169555    -15.34635513
  O     12.63454069      9.43389037     -7.18184822
  H     15.05918260      8.66351990     -8.60231889
  H     19.19928338      9.07926589    -10.51289569
  O     11.38538562     10.26423457     -9.62207558
  H     16.85244679      5.34206236     -7.78072609
  H     19.99397480      8.77066798    -11.79781692
  O     13.33424349     12.17979881     -9.54419981
  H     16.52833439      5.43183885     -9.29038575
  H     14.27811193     11.97039714     -6.05457612
  O     14.68761384      9.15981557    -15.17756447
  H     13.21013172      8.73043064     -7.51108243
  H     13.68629956     10.81197099     -6.89454107
  O     17.46985010      5.45925187    -15.30340451
  H     12.06042600      9.66647129     -7.92298855
  H     12.17769276      8.75515491    -10.41594818
  O     13.96686228      9.93909840    -12.50565242
  H     12.04999582     10.97393428     -9.67747947
  H     13.40699474      7.93755981     -9.97189786
  O     16.81542321      7.76234228    -11.95794829
  H     10.54429490     10.66108538     -9.83174262
  H     17.49092534     10.35967897    -13.58675073
  O     18.31636720      5.49155309    -12.62356013
  H     13.67362502     12.14576154     -8.64147474
  H     16.96609648      8.93957364    -13.28794960
  O     17.92221943      8.30763990     -9.41934875
  H     14.10288445     12.08344603    -10.12069760
  H     20.04307711      7.53323836    -13.76328381
  O     19.02623125      7.84424204    -15.14596112
  H     15.57698260      9.38325842    -14.85167491
  H     21.40252475      7.14968994    -13.12880937
  O     19.67160941      9.49421659    -11.24787143
  H     14.51551830      9.72865209    -15.92368696
  H     14.79061209      7.28310188    -15.06044008
  O     14.32034644     11.55170134     -6.90950136
  H     17.44549867      4.76163107    -15.95244680
  H     14.66942435      6.22506193    -13.94578234
  O     12.79994523      8.08018298    -10.71398071
  H     16.55097306      5.76042449    -15.18077770
  H     17.06197191      4.74993201    -11.40403863
  O     17.12196449      9.57422490    -14.00652268
  H     14.04587837      9.61326047    -13.40777192
  H     15.55073064      5.03159352    -11.25538990
  O     20.48272199      7.29930133    -12.92553547
  H     13.54973121      9.24399471    -11.98175836
  H     18.77115625     10.83040059    -11.91101671
  O     14.97627710      6.35918661    -14.85285773
  H     17.14121149      8.04043553    -11.09350644
  H     18.76119018     12.29606602    -12.40544553
  O     16.30919364      4.62896875    -10.81063177
  H     17.32622026      6.97751952    -12.20148766
  H     13.70429560      6.77570049    -11.69407007
  O     18.21244617     11.52232429    -12.30979722
  H     19.14988487      5.97943304    -12.62329029
  H     15.20460645      6.91369134    -12.03541698
  O     14.44322612      6.31664636    -12.11130906
  H     18.06307415      5.36835423    -13.54924570
  H     15.62978859     10.69610352     -7.93586458
  O     16.08647915     10.17899170     -8.60947928
  H     17.38515604      9.01298710     -9.02870231
  H     15.94627020     10.62854297     -9.45724034
          69
 Energy    -250.77177242553495     
  O     -8.31130840     -2.81282210      5.43214053
  H     -7.51547633     -2.53136261      5.89446974
  H     -7.51615695     -1.81785708      0.15674536
  O     -9.01948859     -2.22462259      0.96982907
  H     -8.97588837     -2.11886946      5.55382886
  H     -4.25859439      0.55125671      2.13220799
  O     -8.24971740     -4.03645842      3.04741065
  H     -8.86624262     -2.93035855      1.61104805
  H     -2.92361545      1.06702228      2.73202969
  O     -5.26922980      0.71521280      0.56332478
  H     -9.51565382     -1.55213433      1.45465770
  H     -6.83814081     -0.87136195      3.04425385
  O     -6.80939055      0.61209778      5.95804922
  H     -8.32522472     -3.61807778      3.92557326
  H     -7.25579281      0.59979886      2.68918072
  O     -4.63338655      5.18764127      1.86136634
  H     -8.45478900     -4.95933947      3.16651159
  H     -5.38579787     -2.34663216      7.35255720
  O    -10.21709954      2.36510376      1.85716718
  H     -5.62710058     -0.10344878      0.20202229
  H     -5.21762856     -1.86150216      5.89241253
  O    -10.19837876     -0.76700954      5.52607909
  H     -6.04124051      1.25404540      0.79771612
  H     -0.68707772      2.38536111      2.40068323
  O     -4.26551792     -1.74367553      4.45120569
  H     -7.02253126      0.36407667      5.04292598
  H     -1.99026155      3.02429144      2.94256670
  O     -3.66939918      3.07151894      0.43896980
  H     -6.47145215     -0.18908560      6.37650290
  H     -9.32268093      2.96457413      4.94223230
  O    -10.03801803     -0.30364591      2.74511048
  H     -4.55653651      5.98884880      1.35041595
  H     -8.40802123      3.77478848      3.98398199
  O     -6.61277424     -1.68442228     -0.18397650
  H     -4.33225887      4.45940105      1.28894042
  H     -6.71654865     -3.11659682      2.65137975
  O     -3.73475623      0.58806759      2.94371383
  H    -10.90720451      2.88432886      1.45465812
  H     -6.05907906     -2.30685467      1.50267126
  O     -7.31495982     -0.09389743      3.35872829
  H     -9.97781966      2.80775415      2.69307240
  H     -8.32526951      1.41984671      6.35934212
  O     -5.83554047     -1.89175276      6.64612486
  H    -10.37040145     -0.64251153      4.58319164
  H     -9.31475744      2.09006299      7.34123950
  O     -1.63655533      2.35967729      2.32404562
  H     -9.99267061      0.10878875      5.87020372
  H     -3.46955685      4.64106204      3.31751900
  O     -9.31941987      3.49024643      4.13268573
  H     -4.79175224     -2.16444352      3.75597150
  H     -3.56262813      3.58265816      4.43319394
  O     -6.00856960     -2.48966658      2.44827879
  H     -3.93944873     -0.93229644      4.04307841
  H     -5.49336596      1.77369148      5.37461686
  O     -9.20899920      1.81946404      6.43224478
  H     -2.87968084      2.81507864      0.93214825
  H     -4.52698647      1.67840803      4.16940433
  O     -2.93600734      4.12454033      3.93434711
  H     -4.17860799      2.26084677      0.31480553
  H     -7.14506908      2.74807993      2.14152464
  O     -4.90783468      2.29524272      4.81199644
  H     -9.11603171     -0.28355859      3.04622938
  H     -8.39088707      2.12949632      1.45636922
  O     -7.43367742      2.04677684      1.53951055
  H    -10.23690246      0.58190063      2.41722328
  H     -6.04946730      3.39051985      3.94668897
  O     -6.61973740      3.93820075      3.38729638
  H     -6.57006342     -2.13764209     -1.02209150
  H     -6.03248938      4.50442613      2.87068673
          69
 Energy    -250.77117344894089     
  O     17.41888017      4.39041288    -10.49712294
  H     16.57791612      3.96128504    -10.69735797
  H     14.75525258      6.68281755    -18.37141257
  O     17.91254000      9.50492791    -14.56105207
  H     17.26144065      5.01130772     -9.77674042
  H     16.10646904      7.01316189    -14.98512631
  O     13.05076050      8.04108131    -12.35599239
  H     18.60120725     10.03887778    -14.94797555
  H     16.64932326      8.40552114    -15.37249738
  O     10.76509054      5.83477225    -15.30822455
  H     18.33464957      8.95575692    -13.87541862
  H     11.51575607      5.56808961    -13.62599788
  O     15.76828478     10.61100656    -13.01466919
  H     12.60302515      7.19882488    -12.51010580
  H     12.86840588      4.97771829    -13.16756663
  O     17.58083757      8.48716548    -10.24824155
  H     13.96778848      7.81385974    -12.13959845
  H     16.27254536      7.63282938    -11.28241759
  O     18.98178845      7.99900827    -12.59640051
  H     11.16216536      6.64450239    -15.67634894
  H     15.08861326      6.78724105    -10.77346119
  O     12.85515017      4.65279830    -10.24926535
  H      9.85591103      5.81977977    -15.59437319
  H     18.41680590      4.85450898    -11.83549165
  O     13.09391077      4.39112516    -16.20176947
  H     15.00740052     10.37145016    -13.55792669
  H     19.61140830      4.52276603    -12.76192629
  O     16.94767073      6.38395272     -8.44472903
  H     16.54261843     10.31935656    -13.50985696
  H     14.13345743      9.64593367     -9.87710222
  O     12.07251010      7.95088716    -16.39202061
  H     17.44565333      7.85943403     -9.52669725
  H     13.04454704      8.84636615    -10.61620777
  O     14.35433351      6.63509892    -17.50701942
  H     17.00270404      9.24989210    -10.10949829
  H     13.72267773      5.91087788     -9.36412443
  O     15.95422650      7.76689733    -15.57449667
  H     18.62406613      8.22601171    -11.72661538
  H     13.92309745      7.46096029     -9.16243162
  O     12.09592366      5.47227171    -12.86023374
  H     19.05176551      7.03768576    -12.61650662
  H     14.49878144      8.81147688    -14.95790383
  O     15.52890352      7.09348400    -11.57732427
  H     13.53670398      4.02484442    -10.51921184
  H     13.42471065      8.94644602    -13.84242007
  O     18.89688429      5.14044164    -12.63419300
  H     12.41169142      4.92690486    -11.06236763
  H     15.79889516     11.50816843    -10.00255249
  O     13.37347345      9.06846005     -9.73468134
  H     12.23198084      4.76446254    -15.97911462
  H     15.73431799     10.64378573    -11.28324767
  O     14.34285026      6.59298703     -9.06738698
  H     13.55282048      5.07545121    -16.70428664
  H     17.30880553      5.46773636    -13.54822866
  O     13.78245219      9.37595325    -14.63589984
  H     17.11348612      6.22955100     -7.51847973
  H     16.07603647      6.21039487    -12.97873749
  O     15.74630166     10.60645384    -10.30916433
  H     15.98063769      6.44150093     -8.55285668
  H     14.74838216      3.29114054    -12.21151900
  O     16.41276767      5.74997283    -13.76509265
  H     12.77539416      7.54512405    -16.91474254
  H     14.95742767      2.09589267    -11.25755354
  O     14.98980512      3.04921593    -11.30116776
  H     12.51591830      8.59170695    -15.82163382
  H     15.09037309      4.56933425    -13.85611088
  O     14.32297194      3.98188128    -13.79292316
  H     14.97790871      7.04898374    -16.88735001
  H     13.91252624      3.96729626    -14.66971900
          69
 Energy    -250.77058772434322     
  O     -4.97023483      4.75995864      1.71594315
  H     -4.56490613      5.07450264      0.88638460
  H     -3.38339322      4.07239836     -3.58342570
  O     -3.81016413     -2.25989436      1.31374850
  H     -5.85237249      5.12015172      1.74755325
  H     -0.56848924     -2.72129373     -2.29821478
  O     -0.47135898      3.40636804     -2.52005515
  H     -3.85771750     -1.93201645      0.39761035
  H     -0.89845295     -2.28605686     -0.84954008
  O     -3.42194364      1.44624164     -1.26484339
  H     -4.52452952     -2.88187402      1.42175242
  H     -1.25900845      7.81041449      0.80329864
  O      0.78163452      0.50143516      4.92895591
  H     -0.38034450      2.47615542     -2.27699047
  H     -1.77304137      6.58011399      1.58657841
  O     -1.20529787      2.97547166      1.28375351
  H     -0.12162350      3.92466333     -1.78180066
  H     -2.88944408      2.53113203      1.32369399
  O     -1.99206455      1.35473382      5.08953419
  H     -3.66517393      1.69898270     -0.36300016
  H     -4.33957858      3.01407993      1.56898058
  O     -3.70310386     -1.34478851     -1.23984637
  H     -3.44701275      2.24951255     -1.79806046
  H     -3.49275568      5.57062107      2.68176925
  O     -2.97192252     -0.00690808      2.77873497
  H      1.07583969      1.37983043      4.62799477
  H     -2.18877579      5.28860427      3.46061984
  O     -0.24454473     -0.56149919      2.56769705
  H      1.34065836      0.26009384      5.66233794
  H     -0.69501637     -0.19030010     -1.72771545
  O      1.40289740      2.99020013      4.02878576
  H     -0.87172054      3.68120527      0.71687221
  H     -1.62419907      0.99745430     -1.37948794
  O     -3.11925512      3.88088917     -2.68735950
  H     -0.56926278      2.25484054      1.19897236
  H     -1.63351666      3.01647832      4.45236304
  O     -0.95469989     -2.01740433     -1.78466396
  H     -2.43903923      0.82495676      4.41678195
  H     -1.26195821      3.50652321      3.03023509
  O     -1.33870714      6.86123420      0.76045189
  H     -1.10565345      0.98342689      5.17436197
  H     -2.82840879      6.05388396     -0.23880752
  O     -3.81329385      2.23264851      1.36360895
  H     -3.72754404     -0.38286504     -1.33479169
  H     -3.44376689      5.05005146     -1.25603451
  O     -2.65152616      5.96279825      2.94328759
  H     -2.84283075     -1.62327045     -1.57648673
  H      0.38598241      0.97598837     -0.11505729
  O     -0.69911587      0.75426469     -1.52749885
  H     -3.35966780      0.75224948      2.32127364
  H      0.56229350      0.47667676      1.35593913
  O     -1.28813817      3.77565428      3.96014956
  H     -3.34105263     -0.79851736      2.36772469
  H     -0.59649709     -2.03378980      1.47175879
  O     -3.63965261      5.59517792     -0.48433802
  H      0.16734084     -0.31705669      3.40626785
  H     -1.94136042     -2.67156355      1.08282947
  O      0.84243689      1.15080396      0.72062971
  H     -1.18384752     -0.33447213      2.63769459
  H      1.84114555      2.57905700      1.05715941
  O     -1.00451082     -2.65133313      0.85052044
  H      0.53549432      3.41415200      4.09706013
  H      3.17475280      3.36151066      1.06147458
  O      2.25074989      3.43122059      1.29018221
  H      1.75166376      3.22658515      3.16301655
  H     -0.14394680      5.61468617      0.14445654
  O      0.26150836      4.81385263     -0.21527240
  H     -2.15294778      3.75511779     -2.69851275
  H      1.00390999      4.55139547      0.34369802
          69
 Energy    -250.76944556098798     
  O     14.09482083     10.57220136    -16.60714153
  H     13.46028606     11.11747046    -17.06463593
  H     18.75637970     10.17436888    -17.20924551
  O     17.27417192      5.39125118    -15.35068538
  H     13.62641675     10.16970599    -15.85403590
  H     17.80686861      8.49725981    -14.82311667
  O     16.37028154     12.04167027     -9.96248298
  H     17.74045052      5.07939047    -14.56718968
  H     16.55353843      8.34771549    -15.75298556
  O     19.48090519      9.23255372    -14.53643077
  H     17.13818867      6.34044160    -15.19633132
  H     12.83865604      8.41082606    -14.51721536
  O     14.76201381      5.99571629    -16.62063901
  H     15.66375348     11.46325823     -9.65067028
  H     13.18314078      9.62533316    -13.62911029
  O     16.89668168      8.48754054     -9.09272844
  H     16.34372009     11.98817174    -10.92875337
  H     16.75057534      7.11929286    -11.86064708
  O     15.27804044      7.48704351    -12.83113587
  H     19.28921577      9.54157703    -13.63955859
  H     18.11848587      6.39177621    -11.91102493
  O     16.40537991     11.28820278    -12.66299127
  H     19.38303517      9.96442901    -15.15755056
  H     12.61366158      5.91234651    -13.81276269
  O     20.45940870      6.65246667    -14.78471972
  H     14.13631416      6.10475156    -15.89312894
  H     13.92155930      6.73183376    -13.71530573
  O     19.18662691      6.01821617    -17.27854195
  H     15.53457100      5.55945040    -16.24089087
  H     19.26341957     11.22221833     -8.81351189
  O     18.98673975      5.17055076    -13.05450093
  H     17.58127978      9.16752825     -9.06001993
  H     17.88942339     11.29226233     -9.52542562
  O     18.88668909     10.96642116    -16.65630004
  H     17.16431973      7.87526848     -9.78992915
  H     18.78733912     10.05397429    -11.10974573
  O     16.93615901      8.09061402    -14.90401098
  H     15.84116512      7.75612264    -13.57537729
  H     18.29920174      8.75415148    -11.80164549
  O     12.87573495      9.37398516    -14.51060320
  H     14.86363098      8.29035385    -12.48554145
  H     14.05283559      9.77175951     -8.46784106
  O     17.62471353      7.07653359    -11.44495845
  H     17.15967725     10.71077218    -12.48878594
  H     15.35698318      9.33176727     -9.17343749
  O     13.18061613      6.50344471    -14.30213543
  H     16.41786579     11.50715444    -13.60627739
  H     18.75691325      7.82398830    -17.83082784
  O     18.67168145     10.73051258     -9.37565651
  H     20.24642312      7.59160678    -14.68300218
  H     17.43899730      8.61035939    -17.98123336
  O     18.60287553      9.65763870    -11.96998967
  H     20.22287581      6.43089094    -15.69290815
  H     14.12246493      9.88076751    -11.07160725
  O     14.56761656      9.89556938     -9.26065454
  H     18.48123496      5.71104731    -16.68621503
  H     14.89342053     10.42118051    -12.30361883
  O     18.40266060      8.69568313    -18.03760443
  H     19.30786570      5.33542578    -17.93435290
  H     17.22156300     11.47863279    -15.87136452
  O     14.13992732      9.87135827    -12.03609058
  H     19.50960592      4.44850290    -12.71549365
  H     15.67369030     11.35242529    -15.84446318
  O     16.43388311     11.69053148    -15.35708158
  H     19.57516590      5.69608484    -13.62710560
  H     15.29273759      7.60353931    -17.25329253
  O     15.73008526      8.45600126    -17.39910146
  H     19.40648955     11.57890616    -17.16974669
  H     15.09321687      9.16316841    -17.23841723
          69
 Energy    -250.76943752740937     
  O      1.11632869      2.34424615      3.00143437
  H      1.33645793      1.47024799      3.34418331
  H      0.18587867     -4.30017990      0.59406129
  O      1.55443950      2.47559526      0.18172310
  H      1.32540013      2.34453700      2.05926396
  H     -1.65603567     -2.55230519      4.06196895
  O     -1.18284691     -0.85159844      4.60031261
  H      0.63861092      2.58225864     -0.13586501
  H     -1.25925736     -3.62057140      3.00383833
  O      1.03191813     -4.77539742     -0.99692829
  H      2.05855244      3.19533648     -0.18950399
  H     -5.61378651      1.84794130      3.18642198
  O     -0.90234375     -2.15793857     -3.73882365
  H     -0.24658236     -0.62121643      4.59045772
  H     -4.85228325      0.63297111      2.61328863
  O      1.60143970     -2.49506360     -2.36171193
  H     -1.68178997     -0.07850305      4.90807396
  H     -2.40909163     -0.57386374     -0.90828126
  O     -2.52714564      2.60104397      1.68575317
  H      1.31353750     -3.96781786     -1.46325858
  H     -2.47346872     -0.64418036      0.62704626
  O     -4.39871609     -3.53919131      2.55751854
  H      1.67087786     -5.45088021     -1.20750713
  H     -0.71301050     -4.62124079     -1.83518798
  O     -1.06772538      0.04084681     -1.99255570
  H     -1.13816806     -2.31844966     -4.64848841
  H     -2.13934293     -4.17926284     -1.45602439
  O      1.47610571     -0.18901129     -0.76100684
  H     -1.20835784     -2.92993977     -3.22960978
  H     -1.74680415      0.93688897      1.89700392
  O     -4.98665244     -0.86231320      1.75108289
  H      1.71317405     -1.67159878     -1.86851610
  H     -1.54997996     -0.26444169      2.87790292
  O     -0.36050890     -3.89066794      1.27698971
  H      0.85155948     -2.34959301     -2.95164018
  H     -0.00588852     -0.84897985      1.64945788
  O     -1.93205671     -3.38356617      3.65237673
  H     -2.07035392      3.07847012      2.39193565
  H      0.46604678     -2.31903449      1.49797307
  O     -4.73779793      1.50011801      3.04143762
  H     -3.37138190      2.30618254      2.05208987
  H     -0.87642919      4.43352431      4.25541790
  O     -2.94651387     -0.90511592     -0.17875808
  H     -4.92693105     -4.17805692      3.02821361
  H     -0.26533652      3.16864528      3.60398348
  O     -1.54593059     -4.30836903     -2.20814871
  H     -3.54319223     -3.48661576      3.02148427
  H     -2.11170201      2.20058920      4.73399126
  O     -1.49986074      0.00611958      1.95216447
  H     -1.08030548     -0.61997749     -2.69639600
  H     -3.40676103      1.42456748      4.42457431
  O      0.78418584     -1.41198658      1.59978892
  H     -0.20319096     -0.04382032     -1.56578025
  H      1.41825789     -0.77609498      3.13344713
  O     -1.10107332      3.58514810      3.88392271
  H      1.65258092      0.72334592     -0.50342650
  H      2.36127273     -0.67949390      4.35663131
  O     -2.62562580      1.42532588      4.99204981
  H      1.32503199     -0.67516018      0.06323178
  H     -2.94049630     -2.67674712     -0.05749996
  O      1.57180205     -0.30710395      3.97180849
  H     -4.87916463     -1.75751445      2.09449599
  H     -3.51924023     -3.75891094      0.87939432
  O     -2.91365822     -3.62570631      0.14146629
  H     -4.45715993     -0.82819997      0.94339871
  H     -1.64559524      2.62990058      0.02884829
  O     -0.99821681      2.58873203     -0.68731947
  H     -1.24501970     -3.80505335      0.89190809
  H     -1.20303227      1.81071903     -1.22037200
          69
 Energy    -250.76869794050344     
  O     -4.34758404     -0.44816051      2.75637243
  H     -4.10144720      0.33473830      3.26785337
  H     -2.81936724      1.81288556      0.06397053
  O      0.19902836      2.54587660      3.73575930
  H     -3.53420344     -0.93991139      2.56916332
  H     -5.52420336      2.08863120      0.69118455
  O     -2.01198348     -1.64413630      1.89504482
  H     -0.48158296      3.04202654      3.26007886
  H     -6.17411143      3.00781756      1.75910846
  O     -3.63349474      0.73896323     -2.95665927
  H     -0.25215667      2.12087119      4.47526902
  H      2.32887110      0.67412012      2.32766898
  O     -1.64129135     -1.07660937     -1.95847454
  H     -1.51151762     -0.99300900      1.38553346
  H      1.00928639      1.34073353      2.78494993
  O     -4.24852734      0.86767357      0.34180216
  H     -2.34909057     -2.27819012      1.24539004
  H     -5.01501855      4.40918000      2.99031296
  O     -7.86729490      0.60172493      0.05312000
  H     -2.94214564      0.13134338     -2.66578534
  H     -4.92386188      3.04488557      3.70562675
  O     -3.43394350      1.87350041      3.99314805
  H     -4.46905922      0.34239481     -2.67674436
  H     -2.53384712      4.38894357      2.27033172
  O     -3.20373545      3.37584012     -2.44483717
  H     -1.17075250     -0.68789592     -1.20294388
  H     -1.93143543      3.21793556      1.45328570
  O     -5.81733628     -0.42067394     -1.63218962
  H     -0.97195359     -1.44931587     -2.52896387
  H     -3.93847145      6.56506457      1.99908754
  O     -5.79569629     -3.00189039     -0.53548773
  H     -4.66764126      0.35764068     -0.36140850
  H     -4.18306951      5.35146925      1.07087613
  O     -2.03116148      2.35307934     -0.11633464
  H     -4.28916988      0.35059534      1.15773271
  H     -7.12244675     -0.80086894      1.20944544
  O     -6.28902948      2.65841483      0.86297821
  H     -8.79550608      0.81054679     -0.01070297
  H     -5.92793605     -1.19062523      2.12226928
  O      1.38025477      0.58672370      2.29108132
  H     -7.41989453      1.40782473      0.36380060
  H     -1.19639850      0.73680015      6.50974808
  O     -5.54479944      3.66436642      3.30079957
  H     -2.93449992      2.44345220      3.39092624
  H     -0.97989983      0.18239975      5.08147903
  O     -1.96997259      3.60854013      2.33780773
  H     -2.80159362      1.56789987      4.65566820
  H      0.38551337     -0.60600721      3.47520510
  O     -3.87754650      5.61468869      1.95759231
  H     -2.95636618      3.80946636     -3.25719691
  H     -0.92119172     -1.40933625      3.37762601
  O     -6.64404292     -1.55116540      1.58091769
  H     -3.39641810      2.44859268     -2.67298641
  H     -2.62461689     -2.42589764     -0.94385287
  O     -1.31329331      0.94555353      5.58704607
  H     -6.60327495     -0.05413273     -1.20637954
  H     -3.92331474     -3.06702288     -0.39502339
  O     -0.30148084     -1.02084861      4.01035313
  H     -5.80013057     -1.36003295     -1.40518453
  H      0.23384419      0.26391222      0.88121542
  O     -2.96853274     -3.01818187     -0.26463920
  H     -6.31535868     -3.79352422     -0.64543589
  H     -0.93887331      0.96764662      0.13378765
  O     -0.49565377      0.11622170      0.26640242
  H     -6.11039462     -2.56749582      0.27859727
  H     -5.44532013      4.04154274     -0.11639246
  O     -4.80216267      4.69172773     -0.42930369
  H     -2.22780261      2.82919129     -0.93044618
  H     -4.31502178      4.27341158     -1.14813794
          69
 Energy    -250.76606531964381     
  O     13.37580981     10.37785319    -13.97948680
  H     13.06172028      9.75123735    -14.64196137
  H     12.49877466      3.78272984    -14.76880520
  O     14.14217641      9.26485036     -9.70177474
  H     14.30739732     10.16143947    -13.83260155
  H     14.71386632      7.91212379    -13.16694239
  O     15.06086870      4.66729284    -13.34636205
  H     13.46021473      9.65418722    -10.26139913
  H     14.44499603      6.37290323    -13.28945792
  O     12.40986641      1.70883527    -11.86976738
  H     13.86214000      8.36058116     -9.50461447
  H     11.64394479     11.08924419    -11.39913083
  O     16.66536044      9.42132882    -10.59587293
  H     14.21286993      4.22258117    -13.47875607
  H     12.57161778     10.37985577    -12.41203256
  O     15.91181225      9.32573280    -13.29737368
  H     15.23289823      4.70455270    -12.39538432
  H     17.81086241      7.17620740    -13.13031622
  O     12.26899097      4.52842926    -16.38490493
  H     12.49897175      2.29827496    -12.63778243
  H     18.88018258      7.60016796    -14.16440450
  O     10.55960625      3.56312596    -10.71350122
  H     12.34332546      0.82116134    -12.21242385
  H     15.90554463      5.27878546    -14.84242980
  O     14.09615209      2.78679733     -9.78917100
  H     17.17139079     10.01257062    -10.04563257
  H     16.88017840      6.42445484    -15.15206822
  O     11.98678939      4.31466560     -8.53099744
  H     15.76912784      9.38138171    -10.21564796
  H     14.74280367      5.68132367    -10.28767550
  O     13.27862426      6.59290415     -9.54556341
  H     16.62798993      8.82623624    -13.71030018
  H     15.11880281      4.18848884    -10.30700277
  O     12.52916075      3.62559840    -13.81393798
  H     16.18211772      9.47601451    -12.38100858
  H     16.84067479      6.14776414    -11.11823985
  O     14.02486041      7.23757020    -13.20724418
  H     12.96540210      5.09094420    -16.74520442
  H     17.22204629      7.64591648    -11.04282401
  O     12.15439417     10.29578645    -11.53657806
  H     11.52640842      5.11858109    -16.20638738
  H     14.57532740      6.48551577    -18.14510072
  O     17.93927655      7.51500516    -14.03591786
  H     10.39159533      4.17123917    -11.44441112
  H     14.98973696      6.23094188    -16.67708784
  O     16.23956575      5.83249822    -15.56269296
  H     11.07326922      2.83307137    -11.08205487
  H     11.70094069      8.47736418    -11.59783591
  O     15.40163461      5.05908416    -10.62312191
  H     13.43088912      3.22311907     -9.24234235
  H     12.60645825      7.39672591    -12.22584579
  O     17.44916058      6.81035570    -11.46946079
  H     13.60271561      2.33448063    -10.48403103
  H     13.13163788      7.71747673    -14.68590104
  O     14.23477806      6.44410172    -17.25576930
  H     11.40670736      4.07777651     -9.27686241
  H     13.20848095      7.61001857    -16.21911218
  O     11.79930952      7.52365005    -11.69841906
  H     11.50683037      4.10978196     -7.73310772
  H      9.67172425      6.95843892    -15.96499955
  O     12.69823360      8.01029693    -15.50260639
  H     12.67406819      6.85831784    -10.25353436
  H     11.13105722      7.13164815    -15.48537364
  O     10.37387337      6.52176117    -15.48926530
  H     12.84942132      5.86565591     -9.07776571
  H     10.33159406      5.71726806    -13.76796781
  O     10.56024013      5.39001875    -12.88967805
  H     11.88227320      4.22877569    -13.42208855
  H     10.90745396      6.15371924    -12.40446966
          69
 Energy    -250.76577969346044     
  O     18.14049187      8.74989702     -9.83607831
  H     18.37103119      9.21075539     -9.02051914
  H     15.82535682     12.44671330     -8.54347671
  O     14.78239375      8.30746626    -12.30483454
  H     17.22468570      8.98666468    -10.02801291
  H     17.37517962     11.30979130    -11.78336735
  O     20.11189702      3.41320595    -11.74803694
  H     14.89228149      8.62760361    -11.39194577
  H     18.60829076     11.86194401    -11.03232849
  O     21.71873030      6.97729284    -10.61924337
  H     13.85433132      8.38026606    -12.51203942
  H     18.10256320      9.54112780     -6.90779466
  O     15.32196093      9.18529070     -9.79412385
  H     19.37860901      3.56058036    -12.35755116
  H     17.61558470     10.76626419     -7.76292827
  O     20.15727210      5.81354716    -14.64028054
  H     20.86356818      3.88665944    -12.12684226
  H     19.66531876      8.58518128    -12.54236647
  O     22.21448951      8.18243785     -8.13502207
  H     22.02391621      7.35723647     -9.78608704
  H     19.39338487      8.86403308    -11.04403983
  O     15.73209909      7.17117965     -7.98998763
  H     21.18358540      7.65858698    -11.05278726
  H     23.10183803      5.02799926    -12.80939787
  O     19.94758686      6.67555356     -7.22972757
  H     15.47125928     10.04616778     -9.38595384
  H     22.10053577      5.83270481    -11.95304720
  O     17.79314480      7.88575168     -6.12895877
  H     15.35632245      8.50755870     -9.09977001
  H     17.50725378      4.83680033    -13.26569744
  O     17.51984787      6.06490966     -9.87385850
  H     20.90380014      5.63246476    -14.05638733
  H     17.46264111      3.53732745    -14.09695143
  O     16.26353147     11.62747429     -8.75584542
  H     19.48797980      5.15306918    -14.41943688
  H     17.54749987      9.49144409    -13.46770591
  O     17.64531121     11.87093178    -11.04088012
  H     21.80995856      9.06278311     -8.24000720
  H     16.12052271      9.57898481    -12.91605627
  O     18.39110915     10.26443084     -7.48051751
  H     23.00238317      8.30248347     -7.61163999
  H     20.11979340     10.57196117     -8.00376154
  O     20.08216688      8.89583405    -11.72772917
  H     16.35013011      7.39855062     -7.28451089
  H     20.87463159     10.99354164     -9.28767447
  O     22.17121193      5.19738000    -12.68412637
  H     16.21982528      6.57447961     -8.57420171
  H     19.19550174      7.29333219    -14.25144047
  O     18.05516383      4.12453298    -13.63360410
  H     19.92642851      5.95226838     -7.86901975
  H     17.94488189      7.37587529    -13.35423323
  O     16.91990730     10.09878906    -13.05673714
  H     20.73272327      7.19254632     -7.44573089
  H     21.07272999     11.98994097    -11.68921525
  O     20.98669693     10.56175869     -8.43276206
  H     17.75668019      7.65562562     -5.20421204
  H     20.43896317     10.60691649    -11.41146427
  O     18.59965886      7.91877589    -13.81421971
  H     18.55971288      7.41417161     -6.50397583
  H     15.96535649      6.86704485    -12.49881139
  O     20.51103615     11.51825010    -11.07905002
  H     18.32167191      5.54739889     -9.72789105
  H     16.96368705      6.12551577    -11.56637318
  O     16.71309795      6.25750347    -12.49359794
  H     17.79220909      6.99228666     -9.79581458
  H     20.59590204      5.67700719     -9.86367638
  O     20.03400952      4.98165833     -9.49517489
  H     16.75888996     11.77739298     -9.58435046
  H     20.02817860      4.27756255    -10.15983139
          69
 Energy    -250.76530811634191     
  O     15.80137083      3.67784019     -9.40694160
  H     15.48286397      4.30169339     -8.74415812
  H     17.43327983      6.95288777    -15.48330092
  O     18.93995045      8.49599780    -12.41381276
  H     15.04948745      3.52464278     -9.99618086
  H     12.80856455      7.01519871    -13.40690047
  O     13.64849736      8.25198683    -12.46485099
  H     18.68888707      8.00178311    -13.20245917
  H     12.33643851      6.43056723    -14.76572868
  O     12.56840860      6.87214109    -16.54132591
  H     18.98618322      7.85674840    -11.68701589
  H     14.64973514      5.51167369    -11.17143251
  O     17.27407558     10.57878455    -12.10845087
  H     13.28357093      8.76832840    -11.73721353
  H     15.82995795      5.92813541    -12.06504950
  O     16.36432470      7.35418982     -9.16083685
  H     14.22347171      7.58041267    -12.06090773
  H     17.27995779      3.85274631    -10.34364439
  O     18.82010188      6.66939808    -10.35154535
  H     13.30492784      7.51071417    -16.55110286
  H     18.62348375      3.20979257    -10.75529478
  O     14.59427405      4.83428358    -16.70340767
  H     11.95505244      7.14937655    -17.21636775
  H     12.44334237     10.22272819     -9.75722421
  O     14.61594326      5.68300646     -7.71066836
  H     17.92640492      9.85567186    -12.16738337
  H     13.88223272      9.68691456     -9.95872850
  O     14.75380407      8.47027491    -16.55826191
  H     17.76640083     11.39412373    -12.15126486
  H     12.10941405      6.31862469     -9.94510084
  O     16.72983609      6.46935901    -17.13734985
  H     16.00031329      7.00704809     -9.99044372
  H     12.68369265      7.67219879     -9.46878730
  O     17.58430308      7.21337332    -14.56600299
  H     15.90023483      6.87211140     -8.46741488
  H     16.21804126      9.82086150    -13.44879517
  O     12.41292208      6.23414908    -13.82397552
  H     18.08227085      6.95487767     -9.79647496
  H     14.94025857      8.95253081    -13.50873897
  O     15.18617761      6.27013141    -11.43106344
  H     18.67302399      5.73046266    -10.51134382
  H     16.15187950     10.18943953    -10.62845448
  O     18.05966899      3.96189864    -10.91660243
  H     14.51606372      4.38048703    -15.85493443
  H     15.94942723      9.10171684     -9.54529385
  O     12.93705313      9.46467902    -10.05659759
  H     13.82934211      5.42034990    -16.75633266
  H     10.42211091      5.09894974    -11.51430745
  O     12.60403579      6.73926579     -9.23312062
  H     13.86802496      6.03388806     -8.22610054
  H     11.62091073      5.65054463    -12.31738240
  O     15.70369075      9.24398908    -14.02696536
  H     14.30853915      5.59002487     -6.81289117
  H     17.23065064      5.68745322    -13.67179982
  O     15.57809744      9.92125248     -9.90142135
  H     15.06379748      8.88328298    -15.74141743
  H     17.38173720      4.59045833    -12.53836731
  O     11.33959813      5.34949299    -11.43729606
  H     15.47712121      7.90814595    -16.86227676
  H     12.81522296      4.17678971    -11.19236734
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  H     16.02227582      5.81485403    -16.99850725
  H     13.89724927      3.67529375    -12.17660009
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  H     17.17318814      6.22789322    -17.94608620
  H     15.19344664      4.35273535    -13.77190985
  O     14.28871654      4.06931664    -13.98013716
  H     16.92868162      7.89783098    -14.36724811
  H     13.71317711      4.84509735    -13.91964520
          69
 Energy    -250.76496991884557     
  O     13.51499371      6.93264642    -11.56211701
  H     13.35983422      7.88362967    -11.63925152
  H     17.17456264      7.63897967    -15.99365479
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  H     13.71778934     11.14420667    -15.00123225
  H     17.11192738      4.14588516    -13.34560844
  O     15.30948580      5.31450675    -16.82460854
  H     13.29194049     12.23055675    -13.99816117
  H     19.12834531      8.17200368    -12.22754091
  O     15.16630567      6.35076279     -9.46263908
  H     16.13112193      9.88780197    -10.38513112
  H     19.05145822      9.36811576    -13.19411001
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  H     15.09022984     10.04769743    -11.53597254
  H     13.51232074     12.67693894    -11.88959507
  O     15.98535148      6.98860733    -12.92350839
  H     16.11450131      5.85795528    -16.74184459
  H     11.98336180     12.90028169    -11.79220415
  O     13.43498836      9.61565144    -12.21365687
  H     15.33458654      4.91424462    -17.68916786
  H     14.70603189      9.21034702    -15.02466896
  O     17.99889918      7.32306789    -11.02847828
  H     15.61037974      7.15542998     -9.16881985
  H     13.38378537      8.43873173    -15.24634496
  O     16.74593813      8.73018441     -9.06431460
  H     15.86763936      5.73160880     -9.69949707
  H     16.53153328     13.74271233    -14.85128360
  O     19.45774788      6.15146097    -14.39999559
  H     15.53274254     12.20390316    -11.29714595
  H     15.45002580     12.69152325    -14.51370485
  O     17.49581353      6.80561974    -16.36671693
  H     15.64878170     13.22968451    -12.43384272
  H     13.78783031      6.27931018    -16.14326587
  O     17.93778554      4.24943369    -12.85251603
  H     15.97622022      6.13679665    -13.37835642
  H     12.88677407      6.12124813    -14.90901976
  O     19.49941952      8.52656659    -13.04760796
  H     15.14363054      7.04959256    -12.45510014
  H     12.09208040      4.48505655    -13.04868479
  O     12.64607699     12.32067759    -12.15710802
  H     13.02095774     10.47999393    -12.10124296
  H     13.00717149      5.66932123    -12.65860656
  O     13.74324068      9.28519282    -14.94716515
  H     13.51434932      9.47048761    -13.16926471
  H     14.58812333      4.50223449    -13.84231730
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  H     18.03958794      6.43203044    -10.65862671
  H     15.46198522      4.65942486    -15.11007487
  O     13.07649186      6.70708739    -15.65077409
  H     17.32065278      7.27656491    -11.72125253
  H     17.63219324      4.47764705    -11.15740378
  O     12.85077420      4.98683975    -13.33460917
  H     17.32245764      8.98283220     -8.34741933
  H     17.84330033      3.99753715     -9.70425540
  O     15.49957871      4.47943929    -14.16114652
  H     17.29818188      8.28102433     -9.72920199
  H     16.30418329      8.21059922    -14.18682067
  O     17.48524942      4.71284775    -10.22282361
  H     19.49472239      7.02267044    -13.96799353
  H     16.94822651      9.59480098    -14.43801581
  O     16.45359139      8.88627954    -14.86699824
  H     20.35296643      5.94273425    -14.65725348
  H     17.40132606     11.60755578    -13.66741343
  O     17.72862218     10.78111414    -13.29014255
  H     18.20054753      6.51334625    -15.77698439
  H     17.17354239     10.60858418    -12.51495212
          69
 Energy    -250.76494198899388     
  O     -2.68028471      4.98445662      2.68937264
  H     -3.00080777      5.85658584      2.90145587
  H      1.29911864      1.01543696      2.03579730
  O     -3.26281046      2.37423955      3.49718624
  H     -1.73426199      4.96385931      2.92927877
  H     -3.90491360     -1.96576234     -0.02704238
  O     -0.61480577     -0.96936304      4.71276358
  H     -3.15241985      3.31049275      3.28492750
  H     -2.57195540     -2.69825415     -0.28869957
  O     -1.00868063     -3.07104210      0.67378272
  H     -2.64654798      1.88937778      2.92353419
  H      0.58152714     -2.44901902      4.56496564
  O     -1.85198970     -0.35041470     -2.07587070
  H     -1.24568871     -1.29347257      4.05275939
  H      2.03461863     -2.61319214      4.06848852
  O     -5.01093062      1.24723729      1.48513122
  H     -1.06111998     -0.24890002      5.17415157
  H      1.10767272     -5.48718249      2.16247828
  O     -2.97119797      1.69320772     -0.43136737
  H     -0.46758183     -2.36571152      0.28809490
  H      0.98705671     -4.10298951      2.84600345
  O      0.44662979     -0.98765832     -0.46984523
  H     -0.40484230     -3.70498626      1.07929006
  H      2.05216268     -3.27180673      1.09606921
  O     -1.66826257      0.89870710      1.85250564
  H     -1.93346023     -0.47904678     -3.01754244
  H      1.93688196     -1.97944921      0.25842240
  O     -4.87435967     -1.46023229      1.56396792
  H     -2.42112045     -1.01885042     -1.65246240
  H     -2.49539350      1.71257963      4.98597577
  O     -2.30700347     -1.68752444      2.66295622
  H     -4.48620978      1.49715785      0.71217495
  H     -2.43967525      1.49065646      6.51340219
  O      0.98007911      1.18823456      1.13832625
  H     -4.59982302      1.68414243      2.24100907
  H     -0.31922854      2.30933039      5.31953468
  O     -3.28648642     -2.21289828     -0.72439834
  H     -2.65462104      1.10587882     -1.12630293
  H      1.00779088      2.01346132      4.60030679
  O      1.22275533     -3.10117948      4.25613455
  H     -2.51309528      1.40330433      0.37448421
  H      3.17858542     -1.84956339      2.33831283
  O      0.93260976     -4.56621197      1.99058959
  H      0.67571594     -0.19956208      0.04544826
  H      4.37926318     -1.67828279      3.30099253
  O      2.53167774     -2.47582424      0.83342236
  H     -0.22906318     -0.71798373     -1.10336300
  H      0.83124521     -0.05119680      4.03498758
  O     -1.95995925      1.33493703      5.70336370
  H     -0.73215167      1.00590807      1.64556912
  H      2.32505615     -0.16370622      3.62462884
  O      0.48014181      2.72751687      4.98047058
  H     -1.82878161     -0.02038748      2.10034986
  H      0.17559255      4.09930477      3.86994076
  O      3.43327890     -1.57945773      3.23884541
  H     -4.98595121     -0.49355376      1.53810053
  H      0.40101136      4.51701144      2.39447159
  O      1.59195697      0.45727599      3.71809315
  H     -5.72966817     -1.83008354      1.76586585
  H     -2.20593843      4.48739750      0.88615773
  O     -0.05645977      4.76500318      3.20502699
  H     -3.23876755     -1.66442435      2.41120115
  H     -2.25553840      3.39723059     -0.21290613
  O     -1.77383431      4.18214194      0.07922441
  H     -1.85006140     -2.24010680      2.01252125
  H     -0.06514056      4.02441646      0.34879861
  O      0.86875947      3.91561873      0.60659380
  H      1.04416841      2.13531157      0.95902388
  H      1.37933181      4.48866134      0.04082082
          69
 Energy    -250.76324702718662     
  O     17.82700676      8.64752275    -10.16577994
  H     17.16875414      9.16496586    -10.64789910
  H     17.92495152     12.07505826     -9.65381484
  O     13.90382014      8.71001916    -11.57591182
  H     17.65447566      7.71009163    -10.32057823
  H     17.21862891      9.65697247     -7.28006182
  O     19.88074055      4.52807842    -13.17560498
  H     12.96284653      8.83832924    -11.65981678
  H     17.94792938      8.89696142     -8.40334486
  O     21.69893099      7.72920427    -10.88984106
  H     14.08105909      8.57558924    -10.62620521
  H     20.01562305     10.69839609    -10.96087396
  O     14.51845538      8.49765506     -8.98121140
  H     19.77144641      3.71391269    -13.66031932
  H     19.22840755      9.37290454    -10.90637626
  O     22.24021318      8.04728201     -8.13265056
  H     19.07439202      5.05100821    -13.32266810
  H     21.09575028      6.01609285    -13.55811120
  O     15.90841324      6.18578097     -8.35640242
  H     22.04078047      7.85209905     -9.99577981
  H     21.75656417      7.14198397    -12.73831293
  O     20.57865560      5.95332362     -7.74659911
  H     21.15683485      8.50943512    -11.07425686
  H     15.31963163      9.87320801    -11.67919057
  O     18.09070208      6.52153109     -6.49571532
  H     14.96351638      7.68377469     -8.70096728
  H     16.47718649     10.27925146    -12.62751406
  O     17.53166071      5.93866101    -10.62948042
  H     14.88218402      9.21775466     -8.45687485
  H     17.85449306      9.44801146    -14.28245218
  O     15.73226309     10.72418086     -7.54723778
  H     21.66109169      7.29223404     -7.92130032
  H     17.03412046     10.41158176    -15.16912701
  O     16.96578293     11.99265366     -9.60000881
  H     23.05000043      7.91576670     -7.64647526
  H     19.64823666      9.87693844     -7.55036585
  O     17.97312569      9.07992251     -7.45055618
  H     16.37368133      5.95389789     -9.17178876
  H     21.12168239      9.56779578     -7.90314794
  O     19.94217047      9.83306540    -11.37759964
  H     16.58078816      6.17306879     -7.66650538
  H     14.82957441      7.82180550    -13.01173264
  O     21.47456311      6.90016689    -13.63058884
  H     19.71856135      6.04421434     -7.31904226
  H     15.78746893      8.35949409    -14.09028468
  O     16.17519545     10.32278894    -11.71231605
  H     20.42469767      5.56139826     -8.61596302
  H     20.12104898      8.07304875    -13.92532607
  O     16.98374396      9.86787738    -14.38710444
  H     17.96363232      6.48805438     -5.55048746
  H     19.54229354      9.15165456    -12.98492081
  O     20.48552738     10.28615655     -7.80740076
  H     18.05508436      7.45966690     -6.75139357
  H     20.35036866     12.89214960     -9.60614409
  O     15.37549305      7.55109174    -13.76006563
  H     18.44740401      5.68511443    -10.44769094
  H     20.11717903     11.48916009     -8.99463664
  O     19.34308118      8.62907650    -13.77577594
  H     17.46330455      6.00008639    -11.59074232
  H     16.86154985      6.57560897    -13.57960789
  O     19.84962925     12.08840294     -9.71601728
  H     16.14974261     11.23874659     -8.26209709
  H     18.31925103      7.08441244    -13.47878082
  O     17.76845120      6.29516509    -13.38712480
  H     15.23349877     11.34159955     -7.01954046
  H     20.73605619      6.18745264    -10.64023242
  O     20.24517038      5.36607337    -10.48791892
  H     16.68016495     11.54064657    -10.40594686
  H     20.21383031      4.90899920    -11.33696198
          69
 Energy    -250.76149347175811     
  O     -4.84044109     -0.79316012      0.25585930
  H     -5.02368624     -1.19896393      1.11331076
  H      1.65013494     -2.06205149     -0.38432264
  O     -3.91344841     -3.59232908      6.61409086
  H     -4.54700793     -1.51565578     -0.31021305
  H      1.05757837     -4.12985858     -0.01988588
  O     -2.73890798     -0.61868323      3.63144888
  H     -3.60653241     -4.49595151      6.46809153
  H      1.78605045     -4.53870401      1.26870479
  O     -4.89576723     -2.10870482      2.76476536
  H     -3.15180891     -3.01998290      6.45541509
  H      0.04174495      0.62129262      2.81918405
  O      0.94788709     -1.02884659      5.50537864
  H     -2.23162615     -1.15339919      2.99712748
  H      0.09807970     -0.89548499      2.57162732
  O     -3.08543306     -6.18817660      5.69371359
  H     -2.47569545      0.29104601      3.45636617
  H     -1.12963740     -2.96182274      1.99652245
  O     -1.67727383     -2.09842984      5.71319411
  H     -5.39471843     -2.47418893      3.50515506
  H     -1.25244643     -1.78427026      0.98457024
  O      1.70498746     -3.66946312      4.72194695
  H     -4.22565974     -1.51863079      3.13775441
  H     -1.09195180     -4.82296394      3.03949642
  O     -4.88004243     -5.69657537      3.71422659
  H      1.46278961     -0.41032746      6.01740196
  H     -0.46365422     -4.89566590      1.59548225
  O     -2.54215308      0.78723522      0.29595916
  H      0.87896273     -0.66318396      4.60714840
  H     -4.18929016     -3.55302059      1.87470027
  O      3.08841757     -3.77158406      2.41252626
  H     -3.21184651     -7.06418625      6.04747911
  H     -2.98126747     -4.52865976      1.62544585
  O      1.22092828     -2.53796982     -1.11863207
  H     -3.70935594     -6.09082358      4.95184121
  H      1.92445053     -0.82172589      1.66681556
  O      1.05460806     -4.78484093      0.68804878
  H     -2.12169322     -1.54926870      5.05103291
  H      2.70997226     -2.14790187      1.55276863
  O      0.61491396     -0.14928128      2.91749064
  H     -0.79779794     -1.71812056      5.82296428
  H     -1.62555191      2.66394915      2.63862438
  O     -1.13210421     -2.00070258      1.91853443
  H      0.87313043     -4.15435199      4.80268590
  H     -1.86695812      1.43517054      1.73168073
  O     -1.28118139     -4.74866886      2.09471517
  H      1.53299019     -2.78594925      5.06830094
  H     -2.07218532     -2.12406246     -1.03270195
  O     -3.90010132     -4.33549606      1.38143457
  H     -5.42085970     -4.98632518      4.08235049
  H     -0.51267728     -1.91146768     -1.04896626
  O      2.39878534     -1.38577021      1.04535476
  H     -4.61152701     -5.39895126      2.83681261
  H     -6.86611754     -3.28324477      5.45993817
  O     -1.49875793      1.72088862      2.58965720
  H     -2.01334289      0.16213014     -0.21495825
  H     -5.32960437     -3.40598876      5.60674086
  O     -1.35797375     -1.51495715     -0.80215201
  H     -3.42531665      0.39146843      0.32061863
  H     -1.21454448     -3.77823384      5.11525559
  O     -6.06076720     -3.39842647      4.96319875
  H      2.61345021     -3.75703256      3.26255636
  H     -1.56652662     -5.28674858      5.17624762
  O     -0.91620364     -4.65719317      4.84027495
  H      3.94021862     -4.16501472      2.58194859
  H     -4.08154349     -3.63190381     -1.77054289
  O     -3.65062083     -3.13133997     -1.08226550
  H      1.82121138     -2.49750303     -1.85860590
  H     -3.76003592     -3.63909542     -0.26078637
          69
 Energy    -250.75999094735278     
  O     16.13886331      6.14400988    -13.18471769
  H     15.39559501      6.19908123    -12.56931658
  H     20.54948202      7.22321601    -14.84496866
  O     17.70511809     10.21433597    -11.76849525
  H     16.91508874      6.51117291    -12.73859734
  H     16.57218036      8.40846206    -15.23373748
  O     17.84106646     11.38998843    -16.24670883
  H     17.55725220     10.28872723    -10.81795541
  H     15.87030322      7.71232193    -14.05559709
  O     13.17941684      5.68388276    -16.13297396
  H     16.89701284     10.51683686    -12.20631310
  H     10.84590527      9.37582513    -14.20935467
  O     14.47060465      9.35374139     -9.16388098
  H     17.08973357     11.87224051    -15.88666551
  H     12.22706767      8.84043234    -14.65351066
  O     13.98024127      6.62317807    -11.52684923
  H     18.39241819     11.12201926    -15.49665821
  H     17.51145323      8.23484163     -9.19144688
  O     15.40774468     10.79787050    -13.20692389
  H     12.63766738      5.05393459    -16.60092730
  H     17.89483625      7.22043910    -10.28663467
  O     17.08332752      9.66641320    -18.15031773
  H     12.83717148      5.72386680    -15.22177895
  H     12.77155776      6.09283898    -12.85160387
  O     14.95970122      6.52860529     -8.91808247
  H     14.02025609      9.44815331    -10.01335469
  H     11.81180196      6.97631245    -13.65785942
  O     17.78520363      7.58377018    -16.41039628
  H     14.49830947      8.40692564     -8.97783566
  H     18.86121019     10.48210811    -13.24066352
  O     16.05349047      5.50850938    -15.92745487
  H     14.24336306      6.46748522    -10.61137622
  H     19.58230322      9.55120500    -14.23307429
  O     19.75963397      7.64726962    -14.51938585
  H     13.84635664      7.57747190    -11.61918982
  H     18.90201120      7.45514619    -12.86170548
  O     15.86429089      8.51904720    -14.58851491
  H     15.32358749     11.50626957    -13.85566112
  H     18.06726211      8.43863202    -12.00966812
  O     11.61797332      8.90961210    -13.89878125
  H     15.61518712      9.99494077    -13.71435717
  H     16.12055662      9.92006746     -9.05855105
  O     17.51509055      7.29243423     -9.40144218
  H     17.42605430     10.30767231    -17.49746047
  H     17.22833144     10.68483329     -8.29368252
  O     12.19382115      6.09117043    -13.62639250
  H     17.45708880      9.90614046    -18.99416149
  H     15.31355727     10.28031839    -17.69629026
  O     19.30042241     10.46356368    -14.10040929
  H     14.91958887      5.92635152     -8.18053697
  H     14.01572203      9.91725032    -16.94603684
  O     18.30255190      7.50367544    -12.10692628
  H     15.90202988      6.72065147     -9.07566571
  H     14.13072961      9.94477571    -12.24549417
  O     17.07596401     10.10906329     -9.03794187
  H     17.18739821      6.81888417    -16.39766534
  H     12.74088714      9.29101442    -12.43268745
  O     14.51686965     10.66058621    -17.30564421
  H     17.54643480      8.17022681    -17.13838795
  H     14.94980065     11.88204083    -16.11615903
  O     13.47854923      9.37253303    -11.81613054
  H     16.13372761      5.54373285    -14.96317057
  H     15.00859882     13.36595617    -15.68226546
  O     15.28653410     12.48880894    -15.43257141
  H     15.10553449      5.50045594    -16.10058540
  H     14.29288906      8.50583184    -15.45810861
  O     13.44102784      8.46901670    -15.91992086
  H     19.09939563      7.59275369    -15.23164294
  H     13.31153170      7.54508150    -16.16838493
          69
 Ord_Energy   -249.263809    
 O    5.13488483      -1.38358772       4.86586189    
 H    4.76055717      -2.01085329       4.23510647    
 H    4.85465050      -1.67110610       5.74672031    
 O    2.62399769       2.29780316       9.82077789    
 H    2.32417703       2.89239240       9.12548637    
 H    3.50326204       2.60627508       10.0893764    
 O    3.63042378      -3.17262888       3.30003834    
 H    3.12875605      -3.32778740       4.12176752    
 H    3.76220942      -4.02307701       2.89052796    
 O    7.41142273      -7.93300495E-02   5.65289736    
 H    7.65119839      0.706494272       5.14666271    
 H    6.70125866     -0.553065717       5.19679976    
 O    1.93769193     -0.917806029       2.72068977    
 H    1.30378652      -1.03936100       3.43815780    
 H    2.49434662      -1.70694542       2.73732615    
 O    5.26642847       2.98474598       10.3999100    
 H    5.77862215       3.58743262       9.85038185    
 H    5.77063084       2.16086674       10.4289560    
 O    4.65456200       3.70169234       6.82703733    
 H    3.70823860       3.74929810       7.00670433    
 H    4.95201349       2.80287361       7.04336882    
 O    1.88276851       3.60380220       7.29279280    
 H    1.72736132       2.77632189       6.80834055    
 H    1.14897060       4.17996407       7.09367418    
 O    5.62767076       1.18499911       7.43393755    
 H    6.01858807       1.09983480       8.31415653    
 H    6.24150133      0.771655500       6.81571484    
 O    1.78952849       1.12985778       6.04932261    
 H    2.22336316      0.742644787       6.82650328    
 H    2.43500924       1.12315023       5.32703447    
 O    7.97542048       2.44589329       4.59515810    
 H    8.50547981       2.75060678       3.86360526    
 H    7.05434322       2.69437695       4.39766455    
 O    5.37570333       3.03407550       4.19840622    
 H    5.08006477       3.41982603       5.03356838    
 H    4.75513268       2.31928325       4.00369787    
 O    9.38019085       1.05356014       9.13003445    
 H    9.17093372       1.74069440       8.47140503    
 H    10.1713114       1.33627677       9.58020020    
 O    8.65622520       2.96396279       7.36263037    
 H    8.44594097       2.83801770       6.43044949    
 H    8.00623989       3.58411098       7.71669531    
 O    6.47864199      -2.16987085       9.17035580    
 H    7.27843904      -1.96274531       8.65319252    
 H    6.70405197      -2.89655042       9.74606705    
 O    6.72410822      0.603923500       9.93717384    
 H    6.55749464     -0.339978755       9.82650948    
 H    7.66726351      0.746402979       9.77595711    
 O    3.18555999      0.192358375       8.19684124    
 H    4.05197859      0.504512787       7.89226055    
 H    2.91186190      0.803017974       8.89692974    
 O   0.443301290      -1.14553559       5.20037651    
 H  -0.494392782      -1.11699522       5.37545633    
 H   0.813316524     -0.311737239       5.53128958    
 O    4.24434853      -2.19456911       7.40832376    
 H    5.00201035      -2.30172920       7.99571896    
 H    3.74563742      -1.44021404       7.75748682    
 O    3.64305258      0.827390075       4.00963354    
 H    4.22156096      0.135516435       4.35887671    
 H    3.04343796      0.374776334       3.39895010    
 O    8.64330959      -1.34302580       7.77937078    
 H    8.29422760     -0.968993425       6.95677996    
 H    9.05541992     -0.602771640       8.24121094    
 O    6.63559198       4.66529179       8.43171883    
 H    5.90258121       4.44852924       7.83017969    
 H    6.65017748       5.61559725       8.51652813    
 O    2.29861212      -3.29518366       5.65589523    
 H    2.90666533      -3.03826880       6.36170626    
 H    1.62245595      -2.60786223       5.60436583    
          69
 Energy    -250.75961093203188     
  O     14.46947689      2.94984468    -14.14934986
  H     14.48994920      3.48824665    -13.34615269
  H     16.34201520      4.32641325    -16.63535440
  O     20.40125625      7.40319372    -16.64299500
  H     13.58666348      3.06476728    -14.52312602
  H     17.62746452      5.39141969    -18.59580533
  O     14.46802417      4.72970460    -11.98607090
  H     19.98956460      8.12243383    -16.14701687
  H     18.13667735      6.68798045    -19.28927172
  O     13.34898023      6.35637168    -19.54831339
  H     20.16046692      6.58975672    -16.18206638
  H     14.67860734      5.16182276    -20.41829030
  O     18.75889286      3.27708959    -13.30243633
  H     14.26758806      4.65091351    -11.05749538
  H     16.19887728      5.13893931    -20.24685738
  O     17.56056121      9.52833297    -17.86516549
  H     15.40362110      4.99450952    -12.04986226
  H     19.20670625      4.56024212    -14.56217064
  O     14.96173268      7.09868163    -15.53989409
  H     12.76186615      6.92663550    -20.03801046
  H     18.56793097      5.91262862    -14.96915521
  O     17.98034169      4.10520462    -17.43804215
  H     13.98808884      6.93578076    -19.10058269
  H     16.56854356      7.26198524    -14.73687043
  O     15.05641938      2.41420402    -18.95076521
  H     18.12955867      2.70690879    -13.77984939
  H     17.90595934      8.04072419    -14.60935023
  O     16.95335879      1.78863529    -14.65806484
  H     19.31629109      2.70127775    -12.78612609
  H     12.49708921      5.44188161    -14.38318025
  O     18.77638594      9.44028298    -15.43838703
  H     18.20265862      9.08259127    -18.43243180
  H     13.40015645      5.77795045    -13.18961781
  O     15.48676276      4.54161570    -16.24660116
  H     16.71557977      9.08952108    -18.02024835
  H     14.03031301      4.35506920    -17.26987433
  O     17.36336904      6.12370057    -19.17246365
  H     14.18828703      6.99382501    -14.96982336
  H     13.09238129      4.92434375    -18.36019521
  O     15.45799699      4.62216433    -20.59182606
  H     15.19195839      6.19604090    -15.81506081
  H     17.43613154      0.65351181    -17.91147819
  O     19.20332832      5.23675426    -15.25046902
  H     17.90253668      3.14396755    -17.44695528
  H     16.34946583      1.74804721    -18.00799104
  O     17.45756698      7.22474224    -14.35623594
  H     18.50754047      4.38979593    -16.67794760
  H     15.16450776      7.61878251    -17.26745124
  O     12.91783258      6.17833836    -13.92441255
  H     14.26263120      2.76518833    -18.53473605
  H     16.03479918      7.15607780    -18.49173130
  O     13.17339238      4.22006860    -17.70603532
  H     15.28710519      3.07706294    -19.61898210
  H     17.66030288      4.64740173    -12.55645463
  O     17.11207372      1.44152194    -17.48353016
  H     16.04020559      2.01537291    -14.43581705
  H     17.22679130      6.08936170    -12.91450917
  O     15.32329618      7.75436541    -18.21309345
  H     16.97000447      1.58863965    -15.60159639
  H     19.91477261      7.67815822    -18.29772957
  O     17.05843867      5.35782604    -12.30525751
  H     18.29424480      9.53906236    -16.27921189
  H     20.25681889      8.08612492    -19.75185660
  O     19.52972836      7.89622187    -19.16564944
  H     18.97255572     10.31972360    -15.12743162
  H     12.30547691      3.91472180    -16.20403131
  O     12.00467741      3.75736222    -15.29232962
  H     15.32178360      3.96037315    -15.49379515
  H     11.12388177      3.39689301    -15.35222848
          69
 Energy    -250.75951721969204     
  O     12.40404860      9.41566472    -10.24249719
  H     11.49690088      9.67099035    -10.09283056
  H     16.37822090      8.78034593    -15.49666314
  O     15.39752672      5.45915031    -12.80520279
  H     12.52248129      9.35603453    -11.20645337
  H     15.89351921      8.57149034    -11.51354988
  O     15.50673624     11.87063151    -13.11335757
  H     15.20648085      5.59363775    -13.74313463
  H     15.56666115      7.28693582    -12.36602532
  O     18.15722493     11.48868593    -13.20522159
  H     14.56291687      5.20638557    -12.38905127
  H     14.42649164      6.85888748     -9.35541282
  O     11.19193978      7.45638325    -16.35247380
  H     15.12205989     11.71086333    -12.23838355
  H     13.21386747      7.74900742     -9.76768987
  O     16.26171415      6.72985292     -8.84203131
  H     14.86044513     11.59462038    -13.77084286
  H     18.18529575      6.28169727    -11.51620605
  O     12.08718799      6.71661726    -13.78651229
  H     18.57944574     12.29316991    -13.49247232
  H     16.87435319      5.48202154    -11.68394625
  O     13.75023132     10.63382788    -15.06913930
  H     17.20114027     11.67803180    -13.15413337
  H     13.05924322      5.69686728    -10.90111908
  O     14.01234064      8.66713748    -18.31103764
  H     11.75042312      6.89426987    -16.90330801
  H     12.46707500      4.30148452    -11.22166832
  O     17.59592418      8.92869176    -14.12652473
  H     11.33280650      7.15989638    -15.44368933
  H     18.77400081     10.44831490    -11.71320462
  O     14.37727494      6.19543216    -15.30825593
  H     16.75085189      6.33823229     -9.58830912
  H     19.23581844      8.99316464    -11.48054405
  O     15.54388465      8.66958204    -15.96870365
  H     16.59777342      6.32347362     -8.04779798
  H     20.07084617      7.08621624    -13.06974311
  O     15.58567412      8.25170855    -12.37290523
  H     12.20222567      6.09432151    -13.05862564
  H     18.74595763      7.86232197    -13.23976065
  O     13.53486613      6.84026159     -9.72232621
  H     12.33887510      7.58962557    -13.44818751
  H     17.42999958      9.48144469    -10.20841733
  O     17.53148803      5.76294738    -11.03238613
  H     13.04636060     10.59819608    -15.72839577
  H     16.50984112      8.48766782     -9.41558972
  O     12.86012541      5.07167802    -11.62273411
  H     14.42136840     10.00170483    -15.36685923
  H     13.53037993      6.98876083    -18.14381968
  O     18.97814182      9.80263904    -11.02376402
  H     14.68687399      8.75386774    -17.62215771
  H     13.22242586      5.56520465    -18.66818599
  O     19.30037285      7.39078124    -12.59613604
  H     13.28523530      9.23718252    -18.03254023
  H     13.81319644     10.77646673    -10.33392501
  O     16.51458053      9.28443735     -9.95783296
  H     17.86514017      9.83799468    -13.93806092
  H     15.33423442     10.66295201    -10.23779434
  O     13.23109632      6.09991116    -17.87937954
  H     16.85028137      8.73600472    -13.53393749
  H     11.05388470     10.45853007    -17.40950612
  O     14.62607257     11.24397734    -10.55089968
  H     14.07942342      5.98961716    -16.20314640
  H     11.52180420      9.13503162    -16.76032552
  O     11.81318276     10.02440785    -17.02995635
  H     13.57603269      6.38385555    -14.79725587
  H     13.95123092      8.84081154    -12.66793123
  O     13.04720201      9.12206162    -12.88221246
  H     15.17979633      7.81624835    -15.69394902
  H     13.13365186      9.73634320    -13.62184973
          69
 Energy    -250.75917058821838     
  O     14.79401102     10.35868510    -14.28750099
  H     14.10716449     10.52897524    -13.63075357
  H     13.23645544      4.01689389    -13.48765831
  O     14.25227387      9.43916689    -10.07354564
  H     14.39778102      9.77312351    -14.94465433
  H     14.46843840      6.20107088    -13.09199335
  O     14.70524441      4.45718289    -12.61770506
  H     13.63820238      8.74505146     -9.79996583
  H     15.12692607      7.61357857    -13.14193388
  O     11.00631850      2.50758498    -12.05638167
  H     13.80096173      9.94178381    -10.76140909
  H     12.07081934     11.23169205    -12.16853963
  O     16.85621937      8.83244641    -10.45466045
  H     14.54067763      4.66231701    -11.68470056
  H     12.31163313      9.71547057    -12.35369211
  O     16.65705615      8.61264834    -13.24975433
  H     15.65630029      4.33397810    -12.72055745
  H     17.39150516      5.07327361    -11.84582732
  O     12.98791381      4.74309021    -16.50478041
  H     10.79926699      1.61626817    -12.32567802
  H     18.18393227      3.89380973    -12.45960977
  O      9.46400489      4.85248998    -11.58842388
  H     11.50243790      2.91124738    -12.78874238
  H     17.39781732      5.69246467    -14.14937681
  O     12.21584147      3.40108222     -9.58382867
  H     17.39001147      9.37953214     -9.88457941
  H     17.14897149      7.20023868    -14.33614793
  O     10.33528235      5.54337838     -9.11186086
  H     15.92709882      9.06496787    -10.27735486
  H     13.66781558      4.45414975     -9.76393295
  O     12.42150345      7.31227879     -9.77918479
  H     16.83145331      8.77502675    -12.31479729
  H     13.72319338      5.98706762     -9.92174194
  O     12.40729594      3.87615308    -13.96835192
  H     16.13462585      9.35160568    -13.59753253
  H     16.94914728      6.93891841    -10.39653324
  O     14.28924304      7.13946493    -13.22242535
  H     12.35564287      5.46014429    -16.63170736
  H     16.05819087      5.70022790    -10.13313371
  O     12.75668240     10.57572425    -12.26765784
  H     13.86046576      5.13565523    -16.63338548
  H     15.98063772      6.10697700    -17.67757309
  O     17.50898760      4.53848128    -12.65294543
  H      9.85312686      3.97836325    -11.72391538
  H     16.10232342      6.20626692    -16.14210836
  O     17.20890725      6.36261009    -14.81645615
  H      9.65866280      5.34599479    -12.39467087
  H     12.77133928      7.70906037    -12.64289192
  O     14.25886736      5.18649945     -9.99391399
  H     11.56002013      4.04934779     -9.29742056
  H     11.28162494      7.39063849    -12.88491656
  O     16.93253947      5.97592812    -10.44053646
  H     11.85623779      3.00438893    -10.38630787
  H     13.86151510      7.75399582    -14.86702101
  O     15.46531795      6.18453295    -16.87897305
  H      9.96019658      5.35635810     -9.99133404
  H     14.36272088      7.58516786    -16.30535113
  O     11.86967063      7.99238516    -12.41376022
  H      9.60575441      5.55196967     -8.49800514
  H     12.10761225      7.56333594    -16.21184070
  O     13.75016116      8.10197449    -15.76524382
  H     12.14270477      7.54420757    -10.67705144
  H     10.86244963      7.59049502    -17.12897695
  O     11.28067925      7.09889325    -16.42687620
  H     11.70796994      6.77676405     -9.41056887
  H     10.65218559      6.41034824    -14.78846545
  O     10.58992644      6.03446328    -13.90199822
  H     12.59889966      4.03723070    -14.90335305
  H     11.22119002      5.30012421    -13.87921214
          69
 Energy    -250.75816552153330     
  O     14.87518374     12.28169313    -14.93582183
  H     15.82569499     12.20850731    -14.79296704
  H     12.54666941      7.51081252    -16.20402886
  O     14.43045424      6.74816552    -13.78456725
  H     14.65737861     11.68883851    -15.66691502
  H     17.94798638      5.96867176    -15.72988520
  O     17.95462799      7.90131901    -11.52426858
  H     15.12859912      6.21802367    -13.38069630
  H     18.71097993      4.66668605    -15.40195400
  O     18.30597338      9.44670750    -15.59183020
  H     14.87919388      7.52894715    -14.14637461
  H     16.59606650      8.98943948    -15.06978348
  O     11.61888673      9.18078708    -16.11309312
  H     17.82664314      7.76408503    -10.57777801
  H     15.12769416      9.43940844    -15.31099671
  O     14.85678989      8.74932823     -8.74127754
  H     17.49341695      8.71940548    -11.75652237
  H     13.77817312     12.25440851    -13.57481876
  O     12.91804801      8.04641656    -11.87359146
  H     18.22863997     10.34223564    -15.24663105
  H     12.78041338     13.07778542    -12.72954254
  O     16.52879469     10.13815353    -12.35538799
  H     18.84027413      8.93318029    -14.96307608
  H     15.96887897      5.27967317    -10.97020764
  O     14.97701874      7.82029189    -18.06733032
  H     10.75037466      9.31866140    -16.48081187
  H     16.24939191      5.93538993     -9.60358844
  O     13.22845206      6.52334408     -9.54475676
  H     11.56831688      9.42997748    -15.17232725
  H     12.07219195     10.71103326    -13.29072484
  O     17.52147027      7.14135174    -16.96163201
  H     14.64184984      9.44606859     -9.37464780
  H     11.94427339      9.21477174    -12.91601780
  O     13.18476359      6.79369188    -16.30861959
  H     14.20981613      8.04795006     -8.89001208
  H     19.25156603      6.88293723    -14.19787127
  O     18.26194327      5.40592964    -15.00005455
  H     12.88819291      7.49693458    -11.08112500
  H     19.13861089      7.79445047    -12.96125468
  O     15.70614843      8.97727747    -14.69216683
  H     13.41288026      7.55001492    -12.54177655
  H     17.13798509      6.43717304    -12.27933989
  O     13.15515982     12.20632270    -12.82851739
  H     15.77869846     10.28413091    -11.76521803
  H     17.22358888      5.43072473    -13.45017120
  O     15.62369646      5.36910090    -10.07236953
  H     16.16903729      9.71873518    -13.15364826
  H     17.66993819      7.45881844     -8.01834022
  O     11.62580328      9.89039045    -13.52997145
  H     14.77408698      7.52481977    -18.95128325
  H     16.41482557      7.96477075     -8.77021981
  O     19.52971427      7.73621173    -13.84335400
  H     14.35179826      7.37057138    -17.46997891
  H     13.79830417     11.08863791    -11.47283892
  O     16.72061832      5.64769795    -12.65521049
  H     14.04579921      6.03566633     -9.75401029
  H     13.73822263      9.55270270    -11.27774621
  O     17.22491150      7.43126843     -8.86085630
  H     12.67076028      5.92843386     -9.05116781
  H     17.33741329     11.34066248    -13.42421419
  O     14.16379838     10.36175057    -10.95346864
  H     17.90050627      7.98959481    -16.69357056
  H     18.23735721     12.53192416    -13.82526863
  O     17.64941052     11.86874175    -14.17893729
  H     16.66699258      7.34325590    -17.35998236
  H     13.25718800      9.92908233    -16.54564334
  O     14.17817831     10.18011148    -16.70329798
  H     13.53789102      6.61198796    -15.42745145
  H     14.53633670      9.51503423    -17.30565729
          69
 Energy    -250.75796727834688     
  O     -5.81581674      3.25276365      1.48703478
  H     -5.46243981      3.94136318      0.89369840
  H      0.64430858      3.22655825      4.41578586
  O     -2.18621348     -2.56993200     -0.20668418
  H     -6.76553898      3.27939664      1.40868534
  H     -3.03996160      3.41251160     -2.15326041
  O     -0.56145100      4.79711499     -1.17963625
  H     -2.20919517     -2.00536188     -0.99999044
  H     -3.40803742      4.46418748     -3.22517398
  O     -2.63454314      1.75377325     -1.65277595
  H     -2.61502880     -3.38925512     -0.43849736
  H      1.52295258     -0.84978898     -2.82519640
  O      0.31253956     -0.05971317      5.20090590
  H     -0.20201286      3.91086103     -1.31823148
  H      0.81885067     -0.99360480     -1.45462325
  O      1.36878613      4.21279180      2.92830947
  H     -1.42094697      4.79787168     -1.61718765
  H     -2.19427292      2.73433826      3.51764909
  O     -1.61992982      2.86399304      1.79661035
  H     -3.08602459      1.60454300     -0.80956547
  H     -2.66485168      1.75026335      4.61633283
  O     -2.55300589     -0.06379725      4.70372971
  H     -1.68786330      1.85423924     -1.46965270
  H     -3.40443427      7.39058976      2.31584228
  O     -2.02245016     -0.92029302     -2.36209135
  H      0.76051068     -0.35002302      5.99044917
  H     -3.54174357      5.87909408      2.61720278
  O     -2.47879736     -0.76650884      1.93541198
  H      0.34774363      0.91402363      5.19837981
  H     -3.00962144      2.01474949      1.19556701
  O      0.25273603     -0.46050373      2.44787353
  H      0.69073402      4.72119624      2.45165196
  H     -4.55379043      1.94794660      1.09372763
  O      0.23094278      2.64791588      5.06550797
  H      2.12551814      4.78701650      3.01809241
  H     -3.74613121      3.98009332      4.00518965
  O     -3.15947502      4.36487715     -2.30947907
  H     -0.78585508      2.40524252      1.63918079
  H     -4.88690089      4.09520911      2.96896015
  O      0.81179899     -0.50045970     -2.29520510
  H     -1.43411291      3.79900076      1.64772168
  H      0.49011143      2.00656890     -0.41095947
  O     -2.50719787      2.68800131      4.43325567
  H     -2.63196602     -0.42965129      3.81318651
  H      0.43698223      1.24518168     -1.75551720
  O     -3.13799430      6.52728862      2.01061338
  H     -1.63362850     -0.19622800      4.96452153
  H     -4.13320038      4.95787622     -0.82222246
  O     -3.74608412      1.47141710      0.86888639
  H     -2.37074878     -0.02843519     -2.23598825
  H     -4.08398789      5.71242043      0.53510205
  O     -4.29665616      4.61530267      3.52680855
  H     -1.07390136     -0.81149700     -2.50626170
  H      0.85331138      1.08295663      1.77079915
  O      0.12754298      2.04258089     -1.30877702
  H     -2.45975933     -1.45743591      1.26158650
  H      1.27398314      2.59920230      1.91075511
  O     -4.64066885      5.16079451     -0.02708666
  H     -3.00164696     -0.03905299      1.57053565
  H     -0.29658896     -2.26631492     -0.01064355
  O      0.96310717      1.92156263      1.29889398
  H      0.36772989     -0.42847617      3.40587149
  H      0.64608398     -1.45483103      0.89451374
  O      0.58861765     -1.88294700      0.03085866
  H     -0.69905651     -0.53328522      2.28142149
  H     -1.43037545      5.94343121      1.65290433
  O     -0.62473390      5.44496324      1.46666704
  H     -0.72319882      2.78877623      4.98673134
  H     -0.55494379      5.32141055      0.50583584
          69
 Energy    -250.75789022910402     
  O     -3.62101923      0.84212460      3.25674899
  H     -3.26655755      1.73044908      3.38527549
  H     -2.93990755      1.73287835     -1.62178363
  O     -1.14256509     -0.22277285      2.68189459
  H     -4.08676106      0.85891002      2.40682309
  H     -7.40479948      2.40308789      0.98657052
  O     -3.89641672     -1.20280810     -2.13564637
  H     -0.57343462      0.41922941      3.12174529
  H     -7.62448068      1.17348003      0.05838015
  O     -1.39378700     -2.16388321     -1.13814798
  H     -2.04749845      0.05870646      2.88436918
  H     -0.21416559      3.38129484      0.81727279
  O     -4.70967522      0.90656682      0.74377727
  H     -4.51235619     -1.46822094     -1.44076153
  H      0.32444935      1.96031987      0.52531097
  O     -7.41976715      2.87780217      2.76134156
  H     -3.03329150     -1.54080423     -1.86711681
  H     -4.20339940      3.98181888      3.02922419
  O     -8.05729494     -0.63580078      0.25025739
  H     -0.89531392     -2.89072334     -1.50230221
  H     -4.88463774      4.61738931      1.79670343
  O     -2.39346168      3.35496918      3.29069810
  H     -1.61406068     -2.40752745     -0.21957563
  H     -2.17989619      3.34230057      0.11730549
  O     -4.06955731      1.35056424     -3.02205536
  H     -3.98702820      1.27659189      0.21946887
  H     -2.69786009      4.74414882      0.44938179
  O     -5.50700589     -1.65024059      0.14149334
  H     -5.51190067      1.39987273      0.53650906
  H     -4.76211869      6.17388090     -0.22472061
  O     -4.60047581     -3.21829676      2.28587103
  H     -6.55798527      3.33042704      2.78727348
  H     -4.82398508      4.66622936     -0.55566775
  O     -2.57792146      1.87874509     -0.73973222
  H     -8.02443114      3.41745076      3.26416338
  H     -4.69938352     -0.52517997      3.90319186
  O     -7.21969905      2.04915981      0.10559382
  H     -8.71564835     -1.19814035     -0.14927827
  H     -6.19270295     -0.85905342      3.71526144
  O      0.49801760      2.76408596      1.03135651
  H     -7.20351289     -1.09139545      0.15722793
  H      0.39073440      2.38160886      2.74169289
  O     -5.06203308      4.19484023      2.64651893
  H     -1.54608583      3.02371649      3.61016596
  H      0.94296803      2.31108187      4.18561703
  O     -1.97216258      4.13744400      0.63469838
  H     -2.23243456      3.64324532      2.37948725
  H     -7.88647213     -0.23641273      2.16116408
  O     -4.47373292      5.31688153      0.07825501
  H     -4.06808243      0.41357792     -2.75417708
  H     -7.54919594      0.97966595      3.04371793
  O     -5.33599542     -1.25083474      3.93935410
  H     -3.94522114      1.36384830     -3.96735215
  H     -2.82760263     -2.87476652      1.78496943
  O      0.17719749      2.11265461      3.65354460
  H     -5.22668199     -2.27771492      0.81899671
  H     -1.61729148     -1.93067540      2.00988002
  O     -7.64044557      0.01906988      3.05708126
  H     -5.15615830     -0.78186722      0.39901363
  H     -0.70868580      0.07419276      0.92160204
  O     -1.95073413     -2.64622264      1.45358558
  H     -4.85494022     -4.06224119      2.64817639
  H     -0.64912381     -0.55736881     -0.49118589
  O     -0.49333632      0.26122406     -0.00474632
  H     -4.86536415     -2.54125965      2.93672272
  H     -5.09971580      2.76849156     -2.13458095
  O     -5.52964315      3.44551403     -1.60135876
  H     -1.84783710      1.26271872     -0.58730334
  H     -6.23211938      2.99715323     -1.10890453
          69
 Energy    -250.75687879520927     
  O      1.64468170     -1.96085733     -7.90099181
  H      1.20537476     -1.12344364     -8.10132071
  H     -2.10137934      1.87108307     -4.13740548
  O     -1.37717003     -0.07061606     -6.31937113
  H      1.72249284     -2.43259005     -8.74276562
  H     -2.61262277     -2.70963578     -4.20212687
  O     -2.13242337      3.70620223     -6.76232424
  H     -1.88269406     -0.85969546     -6.55062297
  H     -4.03311558     -3.20197647     -3.84630604
  O     -2.97929224      2.13698394     -8.78937055
  H     -1.97143906      0.54920311     -5.88149213
  H     -0.78269255      0.29509841     -9.66631875
  O     -0.45382669      1.82326902     -3.23511515
  H     -2.43938923      4.59115235     -6.94186181
  H     -2.15578233     -0.40861570     -9.96761602
  O      2.34425143      2.04893793     -7.08447923
  H     -2.39023530      3.16193010     -7.52779928
  H     -6.07786702      0.64210618     -8.15211856
  O      0.36908784      0.50077648     -8.33487824
  H     -3.74823814      1.59853649     -8.56301155
  H     -5.01401686      0.19999011     -7.12273315
  O     -0.34924798     -1.73422948    -11.97141929
  H     -2.46566329      1.62438755     -9.42299169
  H     -4.19992719     -0.86503612     -9.05347919
  O     -0.17911145     -3.76860950     -6.83831198
  H     -0.21967023      1.95987169     -2.32103104
  H     -3.19811150     -1.90724535     -8.53080053
  O      1.40171225     -3.30304462    -10.28967634
  H     -0.07667307      0.96523670     -3.49761897
  H      2.54572057     -1.11272048     -6.47382472
  O     -2.61295432     -2.49555162     -7.00658599
  H      2.99638603      2.69019347     -7.35317366
  H      2.75296849      0.38424895     -6.17870295
  O     -2.81385092      1.83614055     -4.78875606
  H      1.70179306      2.51736438     -6.52178265
  H      1.33536001     -0.54256797     -4.67861543
  O     -3.56046526     -2.56642840     -4.37755519
  H      1.06897733      1.08767198     -8.02442556
  H     -0.17201912     -0.42035404     -5.02079334
  O     -1.47872556      0.18096062    -10.33282978
  H     -0.25671691      0.38640822     -7.60220531
  H     -4.36337662     -0.92358815     -5.00003842
  O     -5.15244829      0.43136526     -8.05803849
  H     -0.21089311     -1.42385685    -12.86274035
  H     -4.14938445      0.60543614     -5.07268263
  O     -3.51208134     -1.47535664     -9.34171569
  H     -0.70998315     -0.98500947    -11.46914994
  H     -2.82144826     -2.89824708    -10.36468769
  O      2.74908468     -0.48726269     -5.76437543
  H      0.49896808     -3.13333095     -7.11217876
  H     -1.62117311     -3.00224175    -11.31916538
  O      0.45073384     -0.51953026     -4.28455826
  H     -0.30156061     -4.36904399     -7.58529736
  H     -0.34300438     -2.21646139     -4.02888962
  O     -4.67812787     -0.12121748     -5.43142922
  H      0.81138818     -4.01396185    -10.01154089
  H     -0.55861627     -3.41460264     -4.97423414
  O     -2.22187100     -3.53167593    -10.77951033
  H      0.89319687     -2.76459312    -10.90852546
  H     -1.25518919     -4.60349776     -9.78379796
  O     -0.88585487     -3.00405821     -4.16331921
  H     -3.07136987     -2.63964642     -6.17010943
  H     -0.72764194     -6.03444979     -9.53119191
  O     -0.61225720     -5.12446198     -9.27039916
  H     -1.77476632     -2.97848098     -6.96843274
  H      0.18447138      2.82742513     -4.74376050
  O      0.42286288      3.22307033     -5.59018735
  H     -2.67365102      2.56897936     -5.40362086
  H     -0.40719945      3.42957271     -6.03767779
          69
 Energy    -250.75628793581220     
  O     15.81776766     10.02579833    -15.11794685
  H     16.75811932      9.85466652    -15.26250343
  H     13.13541885     11.22775004    -12.39245823
  O     16.36589000      7.23028501     -8.83122799
  H     15.35516896      9.19372985    -15.29043419
  H     13.05030137     10.15094589    -10.29523998
  O     14.99556148     12.57733334    -15.56813213
  H     16.82765937      6.87672192     -8.07652368
  H     12.53988983     10.36395002     -8.85176033
  O     13.68420276      7.17598876     -9.81051746
  H     16.30679788      8.19496431     -8.70300490
  H     17.72168873      5.99535002    -15.71249786
  O     14.81118784      7.51635077    -15.57580462
  H     14.58695754     12.66077995    -16.42550274
  H     17.09440831      5.45689786    -14.41734224
  O     18.45094225      9.27603669    -15.51418143
  H     15.24075667     11.64132781    -15.46073051
  H     16.35429826      8.19061738    -11.80312326
  O     19.57345699     11.70704103    -14.73980536
  H     14.56441584      7.05054403     -9.43629116
  H     16.77420289      7.25571288    -10.62915158
  O     18.95004816      7.65366518    -13.33379904
  H     13.44545547      8.08903049     -9.61034641
  H     16.46403804     14.22097277    -11.00802273
  O     12.94713714      6.02130805    -12.14978833
  H     15.49606247      7.36839207    -16.23949817
  H     16.74351996     12.72916317    -11.30168652
  O     13.88394821     12.74336667    -12.95002725
  H     15.03183471      6.93370674    -14.83303143
  H     17.72540463      8.03870739    -16.64051760
  O     12.62231375      8.31447762    -13.82738932
  H     18.91590546     10.11145651    -15.37983758
  H     17.55946290      7.28211037    -17.97670325
  O     12.91454807     10.36481629    -12.00906180
  H     18.63867519      8.72177942    -14.74051624
  H     15.71936800      9.86159195    -13.30591036
  O     13.24081238      9.96299539     -9.35941441
  H     18.81867541     12.30181093    -14.58085024
  H     14.66794017      9.86415158    -12.17188104
  O     17.93788556      5.56988091    -14.87482726
  H     20.30035151     12.25501829    -15.02342997
  H     16.62933039     13.16449337    -14.80977241
  O     16.84504360      7.38436349    -11.58147519
  H     18.81483344      6.85412836    -13.86271036
  H     17.12135703     13.45479981    -13.38195894
  O     16.34334010     13.53836118    -11.66319145
  H     18.29142620      7.59134040    -12.62649918
  H     16.70993834     10.64885420    -11.38819057
  O     17.23566358      7.32406919    -17.08023826
  H     13.20220510      6.42013734    -11.29863762
  H     18.22684901     10.87507676    -11.21420071
  O     15.59762627      9.69295492    -12.36329116
  H     12.27676425      5.37111092    -11.95683735
  H     15.98363745      6.32782715    -12.76256637
  O     17.42750461     13.28683670    -14.28164757
  H     14.15002055     12.77031941    -13.87707222
  H     14.58753788      5.74270827    -13.03667865
  O     17.36376478     11.13904569    -10.86517716
  H     14.64901811     13.05669734    -12.45247100
  H     19.55255501      9.33649944    -12.53100709
  O     15.46147523      5.85747688    -13.42954879
  H     13.20338179      8.10332151    -14.56591005
  H     19.67518425     10.78151315    -13.04303515
  O     19.58924895     10.25532847    -12.23904527
  H     12.63753861      7.53087758    -13.26160492
  H     16.55171119     10.40824310     -9.33685595
  O     16.03253314      9.90590963     -8.69538954
  H     12.69533242      9.73526120    -12.71147645
  H     15.10104690     10.05152785     -8.90436523
          69
 Energy    -250.75495823290271     
  O      9.09355515      9.85493243    -12.68099004
  H      9.52973289      9.32031269    -13.37102518
  H     11.58933487     13.05916287    -18.50682876
  O     14.00328701     10.36757816    -12.92149820
  H      8.17374001      9.60545703    -12.67931667
  H     13.92369879     13.54897808    -12.76974418
  O     16.59741702     12.62401604    -11.68879335
  H     14.63569488     10.28261971    -12.19821021
  H     14.25898765     14.69408239    -13.75348230
  O     15.09800556      6.69589395    -13.09712912
  H     13.47426702     11.14660523    -12.71205135
  H     18.88938181     12.33618976    -14.33475051
  O     10.62241442     11.97896434    -13.69795701
  H     17.23759737     12.37141481    -12.36497959
  H     17.37560526     12.11992866    -14.55882916
  O     13.25932673     15.79221888    -14.88338109
  H     15.97545706     13.21447346    -12.13361124
  H     12.23146605     10.34179883    -10.01935662
  O     15.83024167     12.51902106    -15.35685087
  H     15.41490136      6.96372266    -13.96831718
  H     12.53868503     11.17922438     -8.75380141
  O     12.64663106     12.62480711    -11.97138102
  H     15.69089827      7.11527087    -12.46216822
  H     17.62148082      8.79674916    -12.94384687
  O     14.53410417     10.07432917    -15.55498345
  H     11.06441331     11.51544302    -14.42523251
  H     18.00290481     10.00052601    -13.84979402
  O     16.85805733      8.18815357    -11.32474538
  H      9.98858479     11.35873639    -13.31816013
  H     14.63834709     10.62659421    -10.12826111
  O     11.19180867      9.22704246    -10.82428737
  H     12.40861418     15.32094429    -14.94536457
  H     15.89913547     11.24385442    -10.83603537
  O     11.81780974     12.93797869    -17.58921772
  H     13.05598997     16.72208041    -14.83183073
  H     12.77474851     10.44068125    -15.85189343
  O     14.64867525     13.95834712    -13.26604686
  H     15.38974942     11.67061283    -15.51031882
  H     11.77477165     11.39512364    -16.54880201
  O     18.12796688     11.87219326    -13.99497190
  H     15.38192071     12.96125944    -14.61961993
  H     16.84623666      8.24463975    -14.99104074
  O     12.82534868     11.02095154     -9.64929263
  H     12.59917600     12.18723608    -11.11281946
  H     16.64886050      7.28256487    -16.18938946
  O     17.86024936      9.04657399    -13.84530198
  H     11.83694562     12.44146095    -12.47024182
  H     13.96495015     14.81566304    -16.38040006
  O     15.47967502     10.41532265    -10.54984457
  H     14.39284243     10.14786474    -14.59626035
  H     14.86864750     13.58907498    -16.60003931
  O     11.84396174     10.70254020    -15.87997537
  H     15.04036046      9.26528135    -15.69448226
  H     10.93867328      9.18047427    -15.15621725
  O     16.17631655      7.80598704    -15.54782880
  H     17.32784673      7.78314966    -10.59961683
  H     11.27287376      8.18086246    -14.02397849
  O     14.19354404     14.13344036    -17.02442587
  H     16.38042539      8.94952825    -10.95553666
  H     11.12621070     13.90609768    -16.08139743
  O     10.54340777      8.54546298    -14.54582878
  H     10.40181779      9.46952613    -11.32080140
  H     10.73428678     13.62704679    -14.62005587
  O     10.99375289     14.33296457    -15.22538080
  H     11.67797254      8.61636428    -11.39613576
  H     13.05287779      8.81278087    -12.87337209
  O     12.65616437      7.93179105    -12.81337861
  H     12.69863625     13.33432881    -17.46344873
  H     13.40086315      7.32014227    -12.88471265
          69
 Energy    -250.75238009627896     
  O     -2.88522233      0.57211774     -0.01443343
  H     -1.91134377      0.58602626     -0.06520100
  H     -1.41249233     -3.32838022     -0.87701638
  O     -3.49616819     -1.30421631      6.94515441
  H     -3.20493498      1.17576338     -0.67943224
  H      0.32856486     -5.74544585      1.26662887
  O      0.85058441      1.31214554      2.40456459
  H     -4.00866962     -0.78097280      6.31655327
  H     -0.34849066     -6.89799677      0.48510925
  O     -3.76144852     -0.23119305      2.54118955
  H     -2.57565678     -1.27011454      6.65155899
  H      2.08363403      0.01038510      3.08132376
  O      1.82921925     -1.88879651      5.77730826
  H      0.09938226      0.92962458      2.89163905
  H      2.50832744     -1.41386218      2.69202562
  O     -4.22076671     -3.90641913      6.65228005
  H      0.91023054      2.22813715      2.66512138
  H     -1.26641204     -2.13661408      1.21484494
  O     -0.94551090     -1.62735245      5.78478101
  H     -3.89175583     -1.18279491      2.40888728
  H     -0.83022719     -1.44703365      2.54342818
  O      1.07345637     -4.54367306      4.88582343
  H     -3.55330795      0.14988079      1.67893842
  H     -1.43544657     -3.76717994      2.50149998
  O     -5.69999984     -2.86871424      4.42835303
  H      2.11737040     -1.47586345      4.94374101
  H     -1.60555287     -5.21112072      2.00207395
  O     -0.19792077      0.45669645     -0.11353317
  H      2.54811123     -1.78976769      6.39572449
  H      1.04965150     -2.47074445      1.61930193
  O      1.61734992     -5.16539385      2.22929538
  H     -4.55112896     -4.29517841      7.45787250
  H      1.95990865     -2.26114553      0.40388972
  O     -0.58147557     -3.76969719     -1.10149325
  H     -3.98784423     -2.98275410      6.85872412
  H     -4.82910205     -3.01658410      2.86903184
  O     -0.45454136     -5.98442824      0.73495225
  H     -1.22238597     -2.53759401      5.60241479
  H     -3.49977240     -3.60885767      2.32862317
  O      2.53299366     -0.77321965      3.41683914
  H      0.01294213     -1.65157161      5.90405803
  H      0.59728806     -2.50176539     -1.26588310
  O     -0.69683424     -2.22503858      1.98999380
  H      0.14882782     -4.58353482      5.15840747
  H      1.64925988     -1.76581354     -2.12800295
  O     -1.97744421     -4.56496453      2.61337163
  H      1.40323978     -3.69562357      5.20388442
  H     -1.14332692     -0.50339622      4.43058435
  O      1.97590776     -2.51933840      1.33185689
  H     -5.27727664     -3.34033683      5.15707773
  H     -2.13286173      0.00371861      3.32582437
  O     -4.19275632     -2.95976823      2.14154064
  H     -5.67053483     -1.93618532      4.67264550
  H     -3.35206996     -2.56325774      0.53936114
  O      1.21583573     -1.74849678     -1.27900107
  H      0.31424602     -0.25505321     -0.51625679
  H     -2.84714999     -1.30690830     -0.22196799
  O     -1.21281849      0.02013900      3.61863010
  H      0.28046258      0.74160233      0.67440332
  H     -5.73132740      0.66739838      4.97799595
  O     -2.68863305     -2.24906480     -0.09070642
  H      1.46417919     -5.02920022      3.17579618
  H     -4.68157316     -0.01405117      4.07328540
  O     -5.12521270     -0.06840910      4.93510043
  H      1.93473880     -4.32121612      1.88549299
  H     -2.58966298     -4.29390949      5.79578177
  O     -1.73915261     -4.25897289      5.34249597
  H     -0.52521800     -4.54807610     -0.53476616
  H     -1.89776684     -4.47759399      4.41270664
          69
 Energy    -250.75117092505235     
  O     15.98936563     10.29746987     -9.93920804
  H     16.25021722     11.21151974    -10.10901195
  H     14.04185085      6.30757573    -11.43374888
  O     15.82900772     12.29410205    -14.92655745
  H     16.36580565      9.76417211    -10.65436930
  H     12.22327373      6.45904741     -8.86559384
  O     12.31845737     11.58289780    -12.74092377
  H     16.31678951     12.72259818    -15.62457828
  H     12.19082994      6.93377449     -7.39866038
  O      9.94525596     10.15796134    -11.89099085
  H     16.48607194     11.89373921    -14.32881273
  H     14.92836851     13.12754138    -13.45320094
  O     16.56999799     12.87102764    -10.86675761
  H     11.45970178     11.17788871    -12.57473675
  H     13.67170968     12.90847600    -12.59376515
  O     17.03633611      8.70089007    -12.00331235
  H     12.72319256     11.12754956    -13.49439397
  H     14.41677969     11.07847560    -14.99362176
  O     13.12293133      4.66284916    -13.63845386
  H      9.08792696     10.56636356    -11.80356910
  H     14.27197385      9.63282709    -14.47901111
  O     17.54058697     11.29284469    -13.06614872
  H     10.21472985      9.87621460    -10.99715703
  H     17.55906058      6.04529856     -9.72292831
  O     13.26043705      7.88028734    -11.82603326
  H     15.79987155     13.09148886    -11.42107146
  H     16.28829341      6.92245695     -9.60977216
  O     10.57773282      5.13060162    -12.39217605
  H     16.87574201     13.68814414    -10.48265425
  H     12.96613846      5.01413473    -10.31748225
  O     10.94629690      9.40407155     -9.49319218
  H     16.42149948      8.48171941    -12.71926703
  H     11.47584995      5.04932532    -10.69135527
  O     14.47725611      5.44548317    -11.33104630
  H     17.12866276      7.90209916    -11.46979304
  H     13.64505184      5.63690196    -14.96151234
  O     12.36112223      7.23104464     -8.28968077
  H     12.22441711      4.70048568    -13.29107003
  H     14.26705695      5.73842767    -16.37507416
  O     14.53127009     13.34761390    -12.60070958
  H     13.70323739      4.79352919    -12.87519557
  H     12.48728690      9.11355946    -15.41227653
  O     13.76566387     10.39229438    -14.80280318
  H     17.37169888     11.84601151    -12.29319441
  H     12.58826047      7.59554436    -15.65843701
  O     16.88084222      6.47154325    -10.24005782
  H     17.52419681     10.38054031    -12.75086047
  H     11.09748745      7.95556841    -13.98220437
  O     12.07845249      5.08214018     -9.93921586
  H     12.38154854      7.81096656    -12.21962638
  H     10.37081201      8.57315006    -12.73823770
  O     13.96000476      6.26169054    -15.64008233
  H     13.27163683      8.67066999    -11.27239336
  H     15.36126706      8.77977121     -8.88695998
  O     11.96034308      8.30671994    -15.47764989
  H      9.72233681      4.76591654    -12.60473345
  H     14.23499931      7.75396996     -8.55152099
  O     10.75858954      7.76440513    -13.09323072
  H     10.55208399      6.06931739    -12.64483253
  H     14.42770852      8.02861227    -13.13949964
  O     15.18781826      7.85957524     -8.65253685
  H     11.77278979      9.86890444     -9.69895642
  H     14.85051562      7.46264622    -14.52058463
  O     15.07301445      8.12790572    -13.85799753
  H     11.24009429      8.60202197     -9.04744201
  H     14.24804739     10.42609003    -10.28852021
  O     13.30711552     10.33129183    -10.47907540
  H     15.36623392      5.63273362    -11.01288938
  H     13.08966891     10.86602063    -11.25407844
          69
 Energy    -250.75054751248075     
  O     12.48026805      9.51516647    -15.90667175
  H     13.13134640      9.04087309    -16.44320984
  H     16.33335074      5.33686017    -16.19311189
  O     16.94653443      6.69157312    -13.40684276
  H     12.84426924     10.39432404    -15.75585740
  H     16.82030496     11.60725559    -16.15724494
  O     17.31292395     10.81058407    -11.91020900
  H     16.16528854      6.41819348    -12.91094872
  H     15.32306814     11.80876111    -16.43096736
  O     17.74971730     10.88879041    -14.69617264
  H     17.06497688      6.11266362    -14.17603200
  H     16.25711164      8.04751469    -14.37411231
  O     14.50011018      5.38664619    -16.75836165
  H     17.79938057      9.98779245    -12.07188970
  H     15.42002994      8.55479309    -15.59564494
  O     14.50327960      8.77626511     -9.31076685
  H     17.13171537     10.82847111    -10.96212360
  H     11.82293280      8.52148958    -14.66005716
  O     14.65151993      6.20740476    -11.93058251
  H     17.66802646     11.13708689    -13.76708013
  H     10.56370544      7.87722000    -14.03182503
  O     14.77177671     10.55487523    -13.05145475
  H     17.12883776     10.15124555    -14.82318328
  H     18.43538731      8.04828421    -10.60789197
  O     18.46524184      7.62484617    -16.90679716
  H     14.12269641      4.62919202    -17.19728229
  H     17.70405175      8.80012401     -9.47713058
  O     15.90021709      6.26917602     -9.41873778
  H     14.05743846      5.45955566    -15.89269924
  H     12.62883894      6.41817559    -14.26657843
  O     19.91954414      9.22046679    -14.93972804
  H     14.86754300      7.88545086     -9.23496280
  H     13.76578805      5.69905713    -13.52082140
  O     17.19613090      5.42493235    -15.77341782
  H     13.92261047      8.76074704    -10.08250520
  H     19.33522524      8.63073317    -13.16199664
  O     16.16926491     11.66342880    -16.87009769
  H     14.17246383      7.04763559    -11.88785008
  H     18.13563159      7.76427078    -12.72859030
  O     15.89008727      8.83223088    -14.80168090
  H     15.04862646      6.07788385    -11.06016489
  H     16.64873909     10.92893952     -8.41063985
  O     11.51209278      7.93120357    -13.94982554
  H     15.56805874     10.76263821    -12.54654945
  H     15.84264322      9.89451080     -9.23124111
  O     18.03002220      7.93056657     -9.73882907
  H     15.05131008      9.88160295    -13.69540557
  H     16.51843563     10.26771988    -17.88035573
  O     13.29237734      5.72437289    -14.36176685
  H     17.94052574      8.27575736    -17.38662969
  H     16.92653274      9.68563472    -19.25337555
  O     18.75443607      8.44560402    -12.41715780
  H     19.00855652      8.11461938    -16.27918519
  H     13.70670069      9.36080825    -12.19909754
  O     16.66306269     10.41972810     -9.21641030
  H     16.09398788      5.61183466     -8.75602027
  H     12.52192621      8.39930877    -12.45512332
  O     16.71910186      9.44187292    -18.35488254
  H     16.71354538      6.79051690     -9.54280133
  H     13.39646695     12.79045517    -15.00402985
  O     13.21185247      8.62168917    -11.81752596
  H     19.23711662      9.91218884    -14.91420594
  H     14.12149724     11.57221502    -14.38969301
  O     13.81312485     11.96084284    -15.22526003
  H     20.74209694      9.65331746    -15.15635444
  H     15.26167261      8.46997180    -17.71734963
  O     14.54632641      8.14007728    -17.15910109
  H     17.66960057      6.12601914    -16.24744494
  H     14.56436041      7.17371774    -17.16054023
          69
 Energy    -250.74926689621145     
  O     10.30918306     10.00792176    -11.98885206
  H     10.45068261      9.16657259    -11.51706824
  H     17.27851689     11.60555571    -15.12012279
  O     14.26943977      7.43305895    -15.38052141
  H      9.62453665     10.47609917    -11.51971333
  H     15.50741135      8.22297881    -14.26411024
  O     17.52673832     10.17734973    -10.44815562
  H     13.73975554      8.23231909    -15.50917051
  H     15.97541067      9.26074635    -13.18218291
  O     18.68690163     10.57532550    -15.93950145
  H     14.81833113      7.27665228    -16.15786611
  H     11.87291695      7.63943617    -10.83379058
  O     12.87324753      9.78651661    -15.28448705
  H     17.71520045     10.90941170     -9.86620996
  H     10.75196335      6.93543928    -11.60986930
  O     13.59807546      5.79326450    -13.27802726
  H     16.90326755     10.50764724    -11.11722736
  H     17.44782519      5.72500279    -11.50487276
  O     15.73844650     10.91345928    -12.37415072
  H     18.85263590      9.83051127    -15.33642791
  H     18.27918647      5.04999316    -10.39004233
  O     16.50105204      9.73282507    -17.54206962
  H     19.53954712     10.92811425    -16.18054586
  H     10.08557560      5.43725290    -13.64017425
  O     18.86053310      8.46193295    -14.23969364
  H     12.99653939      9.99316412    -14.34615406
  H     10.67382523      6.85972158    -13.78264611
  O     16.22729580      6.91627369    -17.32802684
  H     13.37465368     10.43153795    -15.79849138
  H     19.03608148      7.44448740    -11.22550908
  O     17.88793289      6.05227167    -15.36054523
  H     13.80319834      6.31091366    -14.07288466
  H     18.83525148      8.96821040    -11.16304863
  O     16.48966916     12.01351628    -14.74271041
  H     12.63742833      5.70556962    -13.26048191
  H     15.45258215      5.49863753    -12.97978466
  O     16.20259941      8.43819703    -13.62969911
  H     16.00176991     11.39796766    -13.17226065
  H     16.37394829      6.72821481    -13.04439799
  O     10.90957708      7.58764153    -10.91638523
  H     14.77495747     10.84418877    -12.36045021
  H     16.67762141      7.11278007    -10.02535498
  O     17.99522094      5.89840310    -10.72025990
  H     17.30913467      9.97848717    -17.07340084
  H     16.52348616      8.63979822     -9.96983660
  O     10.77817237      6.00902668    -13.31974663
  H     16.45473019      8.76968981    -17.53104626
  H     15.21919576     10.80944604    -17.12450725
  O     19.38815389      8.28034358    -11.55519425
  H     17.89999895      8.48082049    -14.09726069
  H     14.35182626     12.03556832    -17.50289164
  O     16.37880357      5.76446517    -12.92639683
  H     19.24181138      8.40380837    -13.35229071
  H     13.72607219      7.07664498    -11.92254070
  O     16.03168079      7.81409842     -9.88202794
  H     16.23901097      6.30423839    -18.05915855
  H     14.47511030      7.77480479    -10.73732487
  O     14.55593995     11.43947473    -16.78701797
  H     16.85073863      6.57209170    -16.66371775
  H     12.14761346     10.32331991    -12.31025200
  O     13.67155536      7.79200044    -11.27661547
  H     17.41141082      5.74176628    -14.58069112
  H     13.31818583      9.33775801    -12.09173191
  O     13.07774977     10.17631234    -12.51812176
  H     18.43143764      6.79050876    -15.05381126
  H     10.30206010      9.07098345    -13.67459459
  O     10.50234954      8.49233322    -14.42132286
  H     15.80109084     11.93248150    -15.41358693
  H     11.22950852      8.92057596    -14.89021542
          69
 Energy    -250.74901755680719     
  O     16.40676232     10.54585891    -14.98927731
  H     17.31565445     10.23174423    -15.10105697
  H     14.34652265     10.10640461    -12.12468108
  O     15.84639534      7.24062030     -9.80042392
  H     16.41735933     11.49586713    -14.81853566
  H     18.94831690      4.46279692    -16.11796451
  O     16.35027137     13.20336770    -14.12194714
  H     15.95305813      6.92024913    -10.71273744
  H     17.58292956      5.18472914    -16.01680130
  O     13.12766619      8.01837334    -10.59559325
  H     15.97760298      6.48759603     -9.22893999
  H     16.00650769      7.73107057    -12.52956774
  O     14.47703947      8.69626911    -15.78331147
  H     16.10631802     14.01903874    -14.55041263
  H     15.43959617      6.42150043    -13.11739690
  O     18.89283171      9.35967206    -15.05308757
  H     15.77596791     13.11287932    -13.33870209
  H     18.61392890      8.42701730    -16.66676806
  O     20.47673049     10.82036328    -13.25721963
  H     13.17410205      8.93555773    -10.90069588
  H     18.54630069      6.91053838    -16.91754405
  O     18.61715900      6.96694341    -13.62458134
  H     13.98973779      7.80968498    -10.22218354
  H     17.23929411     12.59442835     -9.16568263
  O     11.98570957      6.81708330    -12.76282651
  H     14.79624164      8.35030125    -16.62622328
  H     17.24194714     11.27271365     -9.96727810
  O     14.94352466     12.83820760    -11.85150904
  H     15.10857339      9.37900719    -15.51727464
  H     16.67009510      7.69379520    -17.83211292
  O     12.21685773      9.35985953    -14.15794323
  H     19.52395000      9.89158862    -14.55349565
  H     15.62682195      7.64786505    -18.97417538
  O     13.46404037     10.46919136    -11.95021471
  H     18.76471221      8.54219380    -14.54879289
  H     16.22281127      9.90840369    -13.31583991
  O     18.54121645      5.28919973    -15.87304261
  H     21.31683607     11.26906086    -13.29494664
  H     16.61558727      9.67153478    -11.80376723
  O     16.08910460      6.76312181    -12.49018554
  H     19.81875695     11.47564081    -12.96155641
  H     17.88875672     12.84752067    -13.08314889
  O     18.34294161      7.76592382    -17.31651538
  H     17.75276465      6.81687152    -13.21653378
  H     18.13745343     12.51340125    -11.59936460
  O     17.09635409     12.23176980    -10.03630529
  H     18.69764750      6.32438561    -14.34045057
  H     18.31580857      9.20641121    -10.55913019
  O     15.72832110      7.54526687    -18.03182841
  H     12.37876964      7.19153907    -11.95470119
  H     16.96568321      8.78872455     -9.88237907
  O     15.97343337      9.46800250    -12.49360041
  H     11.15811166      6.41960003    -12.50568494
  H     14.27717813      7.12997153    -14.85781243
  O     18.56395883     12.54474729    -12.46396918
  H     14.29838053     12.11772712    -11.83304355
  H     13.36703575      6.33191468    -13.88598577
  O     17.50515958      9.54405819    -10.14461810
  H     15.57464194     12.66154365    -11.14373476
  H     19.40325445      7.96944694    -12.22730668
  O     14.17493559      6.27513718    -14.41163993
  H     12.89689059      9.19577129    -14.82412419
  H     20.02894614      9.37206964    -12.09622724
  O     19.63072026      8.65570539    -11.58659228
  H     12.00827321      8.49846162    -13.77699025
  H     15.24000841      5.40232555    -15.66527494
  O     15.87857154      5.21460008    -16.36604023
  H     12.92711341     10.22990022    -12.71999583
  H     15.74049286      5.89982310    -17.03201181
          69
 Energy    -250.74850201178845     
  O     15.65336542     11.63061523    -15.00218093
  H     16.39596018     11.62060661    -14.38769881
  H     15.40880071      6.09300154    -16.38680137
  O     13.94962183      6.34649927    -13.47565998
  H     15.78169480     10.88989389    -15.60941868
  H     18.75570861      4.11898078    -11.98396479
  O     16.26604389      7.87085344    -10.02162180
  H     14.49953904      5.89233951    -12.82354965
  H     18.49293229      5.62830659    -11.76236718
  O     18.47622160      8.76287404    -13.33201429
  H     14.13777024      6.01503122    -14.36637454
  H     15.69170478      8.73677597    -14.67952508
  O     13.20436743      8.26430017    -17.14709872
  H     16.06454994      8.68172382    -10.50811880
  H     15.15004333      7.68274900    -13.67273621
  O     12.33149882      9.18522860     -9.17766028
  H     15.69173371      7.85868544     -9.24608812
  H     14.02943289     11.83111051    -14.38689830
  O     11.96814696      8.04758650    -12.69933553
  H     18.45619328      9.72147561    -13.24739077
  H     12.81019110     12.77709748    -14.31377529
  O     15.60944811     10.06685797    -11.61312100
  H     17.55170716      8.50732178    -13.48232970
  H     13.72594028      6.22849899     -8.97649083
  O     17.13352328      6.78369800    -16.89122983
  H     12.71443497      8.69181423    -16.42115801
  H     14.06682176      5.39998604    -10.23149241
  O     11.04945830      6.88775752    -10.31712728
  H     12.65182969      8.32234866    -17.92163884
  H     12.31382952     10.34558597    -14.79599706
  O     18.63315718      6.31769783    -14.69164506
  H     11.75980820      8.48224296     -9.51244124
  H     11.83468087      8.96509547    -14.29621791
  O     14.49967196      5.91873104    -16.11491495
  H     12.48617636      9.77990642     -9.92259502
  H     18.01139304      7.43171211    -10.50807371
  O     18.19562957      4.84151133    -12.25588006
  H     11.51355613      7.63971630    -11.95329168
  H     18.82949766      7.79625737    -11.75921605
  O     15.76560058      8.41882243    -13.77136292
  H     12.64829599      7.41794779    -12.98524613
  H     15.81051499      6.34684144    -10.96409584
  O     13.11678665     11.91086203    -14.05805638
  H     15.63212387      9.50103373    -12.40294101
  H     16.40703180      5.13479037    -11.71603321
  O     13.35040028      5.61673677     -9.62239993
  H     14.68087953     10.29862319    -11.48691310
  H     14.32491214      7.90958000     -7.06244785
  O     11.98007793      9.49145526    -15.09396767
  H     17.68151699      6.57960050    -16.11288494
  H     13.63412593      8.35114454     -8.37584457
  O     18.79313286      7.17753864    -11.01725400
  H     17.60899904      6.45654316    -17.65033848
  H     12.57595895      9.61148275    -12.00952504
  O     15.57755328      5.51635752    -11.40545900
  H     11.83781880      6.35621329    -10.10443854
  H     12.89094402     11.07614612    -12.38942137
  O     14.33287423      7.78108427     -8.00686947
  H     10.29067648      6.36667374    -10.06960400
  H     17.98733141     12.19558697    -12.39381896
  O     12.87353469     10.46031614    -11.64633901
  H     18.45866071      5.71500321    -13.95963085
  H     16.93177413     11.06942418    -12.31139048
  O     17.61699444     11.46249117    -12.87919911
  H     18.80337737      7.17975234    -14.28851964
  H     14.87278706      8.96676065    -16.77710638
  O     15.75334155      9.20703416    -16.45674425
  H     13.97269078      6.62341766    -16.51357406
  H     16.33236194      8.46624617    -16.68081922
          69
 Energy    -250.74823685584556     
  O     12.62734058     10.82276076    -14.17133824
  H     13.24888822     11.54724559    -14.04090898
  H     20.33116009      8.81956299    -15.29352479
  O     16.89616766      6.51710407    -14.05971670
  H     12.95409617     10.33205382    -14.93884684
  H     16.33618222     11.47700123    -16.59158440
  O     18.79948999      9.98945031    -12.28753979
  H     17.77592718      6.62304769    -13.67848605
  H     14.84413216     11.09365251    -16.61364209
  O     17.88808708     10.40817785    -16.47762514
  H     16.60771947      7.41156201    -14.30702727
  H     16.81755540      9.53796774    -15.28301134
  O     13.41608388      6.68682166    -16.39934294
  H     18.94561675      9.73841096    -11.36306986
  H     16.16015222      9.64940183    -13.88008844
  O     16.17232883      8.68446311     -8.90223144
  H     17.89259181     10.32140724    -12.33828831
  H     12.16330113      9.74209431    -12.92933196
  O     15.11103150      6.30539917    -11.98573666
  H     18.65912496     10.57904310    -15.92140067
  H     11.08306712      9.19307774    -11.96424736
  O     16.13793490     10.74140791    -12.44810107
  H     18.06136022      9.59834479    -16.97808743
  H     20.16491644      5.64295812    -10.31916033
  O     18.30584538      7.87649441    -17.59784297
  H     12.75987660      6.11645791    -16.79088443
  H     19.45124272      6.50427345    -11.38506672
  O     16.66205608      5.95979724     -9.73839944
  H     13.24762576      6.68313023    -15.43957336
  H     12.52785411      7.51206322    -13.26732638
  O     16.25556121      6.30496443    -16.75226235
  H     15.54677247      8.82212708     -9.63171905
  H     13.63239523      6.45784045    -13.10398522
  O     20.27931869      7.87350921    -15.47986709
  H     15.73878922      8.99124472     -8.10940852
  H     19.64101796     10.45066460    -13.78322957
  O     15.44701914     11.83572912    -16.47085015
  H     15.58839707      6.02989117    -11.19061849
  H     20.72560073     11.26386683    -14.52442764
  O     16.22023450      9.09341601    -14.66685888
  H     15.74439347      6.28165972    -12.71758502
  H     19.09698193      8.19121232    -12.73536119
  O     11.98848556      9.07713954    -12.23820895
  H     15.52187731     10.18886968    -11.94658945
  H     19.77782901      7.34729180    -13.84178357
  O     19.41946808      6.22222379    -10.45505831
  H     15.65111487     11.46795274    -12.85806287
  H     17.99498848      8.94287519     -9.41029444
  O     12.95475643      6.77451778    -13.71646663
  H     18.55116886      7.60663718    -18.47922176
  H     19.16255764      8.03808250     -9.84468650
  O     20.02997307     10.62482343    -14.65735938
  H     17.55256864      7.31733058    -17.33778812
  H     14.78307847      7.99598164    -11.45825078
  O     19.35054579      7.28911320    -12.97463614
  H     17.60270706      5.94199531     -9.95553230
  H     13.62035448      9.01136344    -11.38693438
  O     18.89518813      8.96150347     -9.75912842
  H     16.51175395      6.80744843     -9.30307076
  H     15.06167859     12.44833517    -14.87919412
  O     14.54287073      8.87847247    -11.13569301
  H     15.29818894      6.41564838    -16.73795000
  H     14.73979985     13.63280108    -13.93757185
  O     14.79726732     12.68169605    -13.97071962
  H     16.51057674      6.15368209    -15.83084250
  H     14.71107185      9.28144406    -15.64064297
  O     13.94282516      9.44124433    -16.21121583
  H     19.65501491      7.78050599    -16.20942600
  H     13.63770246      8.56358636    -16.46602612
          69
 Energy    -250.74794616618155     
  O      0.07624155      1.53361681     -1.89944857
  H      0.50418059      2.36877289     -1.68463779
  H     -1.73823613     -0.26620585      3.21702410
  O      1.36494775      3.89155670     -0.90635355
  H      0.66383968      0.84264938     -1.55734429
  H      0.31107054      0.08289805      2.99399032
  O      3.05416666      1.26818518      3.79764609
  H      1.52065104      4.70122774     -1.38707757
  H      0.12359186      0.29740473      4.49846310
  O      1.12652534      1.07522569      1.77864913
  H      2.19682802      3.67075388     -0.45687332
  H      4.96077786     -1.66146475      3.06878608
  O     -2.44403545      0.77995156     -1.34213169
  H      2.40094722      1.23893152      3.07980818
  H      3.44448146     -1.49653821      2.81252492
  O     -2.65203327      2.09035301      1.12062109
  H      3.63092543      0.51247203      3.64269531
  H     -3.99177602      2.67081114      3.86677117
  O      1.68947437     -0.28420147     -0.62446381
  H      0.64596956      1.89342452      1.60471525
  H     -3.47884841      3.12032783      2.48673652
  O     -1.85177594     -1.40439809      0.42948443
  H      1.28988669      0.63395984      0.93695539
  H      0.12622251      3.98413993      2.99924489
  O      3.70194202      3.34127105      0.50519710
  H     -2.95418452      0.73178987     -2.14575868
  H     -0.41524727      4.56794378      4.32412730
  O      0.54237769     -2.66043804      0.35073934
  H     -1.54688180      1.06686351     -1.59295611
  H      1.67299444      1.56474324      5.08955074
  O     -2.13089866      4.84298711      5.01161924
  H     -2.61041396      1.33213403      1.72236039
  H      0.62425032      2.66386274      4.89239619
  O     -2.61380470     -0.12505997      2.82582219
  H     -2.70323056      1.72411946      0.22914543
  H     -3.20324025      1.44299442      5.47806836
  O     -0.05609034     -0.33397180      3.79120796
  H      1.41578619     -1.17027834     -0.35910020
  H     -4.60756691      0.80552331      5.60230208
  O      4.29984415     -1.02962475      2.79961950
  H      2.62529093     -0.16077877     -0.40429118
  H     -0.93768284      2.02745054      6.12348326
  O     -3.76933381      3.45270712      3.34520176
  H     -2.07187760     -0.73300293     -0.22692578
  H     -1.93734204      3.18976419      5.97860372
  O      0.37703200      4.20665662      3.90896087
  H     -2.22064097     -1.09116066      1.26539500
  H      4.01977320      1.35570289      0.49107982
  O      0.79097114      1.83828176      5.37196632
  H      4.56450818      3.70974529      0.32747548
  H      4.28469161     -0.01613182      1.17111804
  O     -3.95793612      1.09649699      4.96821759
  H      3.47501054      3.59844029      1.41694679
  H      0.14128857      3.68954566      0.51303405
  O     -1.86532183      2.26489007      6.24702513
  H     -0.33761037     -2.24349406      0.39200892
  H     -1.13034894      3.03836695      1.18362411
  O      4.15213094      0.41677980      0.31803804
  H      0.42155880     -3.51344146     -0.05794441
  H      1.18712813     -1.70479410      3.33102110
  O     -0.26817156      3.44563107      1.35092159
  H     -2.56505224      5.63582983      5.31435911
  H      1.42440691     -2.44655902      2.00341178
  O      1.84952801     -2.20254967      2.83496106
  H     -2.72970450      4.42207247      4.36867952
  H      2.22759391      4.22133012      3.40838188
  O      3.08640571      3.94043591      3.06974167
  H     -3.18371276      0.17551709      3.54362026
  H      3.24065433      3.06510341      3.45418802
          69
 Ord_Energy   -250.747940    
 O    2.33652616       1.52767575      -1.91296351    
 H    2.90216136       1.24304068      -2.64206338    
 H    1.50939977       1.03816044      -2.03788018    
 O    4.70055437      -4.44552994      -1.95301926    
 H    4.90744305      -4.23334312      -2.87586045    
 H    5.43371582      -4.16641760      -1.39174747    
 O    4.51071692      -3.35277605       1.74508250    
 H    3.81146526      -4.01667500       1.72568119    
 H    4.08031178      -2.51869726       1.97309458    
 O   -1.30464798E-02   3.57173085E-02  -2.33069420    
 H   0.117908821     -0.869209766      -2.00826597    
 H  -0.631177425      0.451302409      -1.71766782    
 O    1.18587434     -0.818055809      -4.76985979    
 H    2.05630422     -0.422899574      -4.61493444    
 H   0.620821059     -0.477457762      -4.06569767    
 O   0.502939701      -2.50743723      -1.43340087    
 H   0.587243140      -2.66342664     -0.481685340    
 H   0.424993426      -3.35127139      -1.89283073    
 O   -1.49181187       1.14655888     -0.211785868    
 H   -1.29837358      0.513392329      0.502910495    
 H   -2.38914037       1.44150519      -8.31454024E-02
 O    1.98784399      -3.37838125      -5.11096239    
 H    1.94360304      -3.56685209      -6.04578876    
 H    1.65851176      -2.46867180      -4.99742603    
 O    3.67307091      -5.40187098E-02  -3.82017064    
 H    3.48111176     -0.766984522      -3.18955660    
 H    4.58356857     -0.202653587      -4.09705353    
 O    6.27057362      -1.02936232      -4.17987156    
 H    7.08976698     -0.756163359      -4.58334446    
 H    6.41132307      -1.00441158      -3.21582437    
 O    4.88848782      -3.52915287      -4.51608324    
 H    3.96028590      -3.36788797      -4.71973324    
 H    5.33168554      -2.67122984      -4.49951935    
 O    6.51941776     -0.961732388      -1.47532845    
 H    5.81757307     -0.467975229      -1.03235233    
 H    6.60920525      -1.78703904     -0.982834935    
 O    2.44895887      -5.73400021      -1.05706644    
 H    1.81215572      -5.53334427      -1.75059390    
 H    3.29738665      -5.38658142      -1.37204754    
 O    3.20557332      -2.05721307      -1.92332041    
 H    3.68474936      -2.89396667      -1.91411841    
 H    2.27326608      -2.23891497      -1.75472665    
 O    1.38757372       1.16592824       2.80233121    
 H    1.42836428       1.80823278       3.50555944    
 H    1.31941164       1.66597402       1.96873510    
 O    3.02179265     -0.968815148       1.98934376    
 H    3.45410037     -0.581649244       1.21294582    
 H    2.53467822     -0.251311809       2.41158128    
 O    2.27498126      -5.14963102       1.56183684    
 H    2.15130687      -5.94908428       2.06578803    
 H    2.31998587      -5.41033030      0.623686254    
 O   0.675000966      -4.78145552      -3.09486294    
 H   -2.52556205E-02  -5.27408028      -3.51660657    
 H    1.16623878      -4.33465099      -3.80328512    
 O    6.52056551      -3.43070626      -6.32987767E-02
 H    5.82364273      -3.38913512      0.616770804    
 H    7.28272629      -3.82703924      0.350543678    
 O    4.09573793      -1.79394409E-02 -0.347319037    
 H    3.55876827      0.679520786     -0.742723167    
 H    3.84050012     -0.823153555     -0.827555776    
 O    1.00526190       2.41476703      0.420364499    
 H   0.115727767       2.13440180      0.169857904    
 H    1.55124652       2.28819418     -0.365787089    
 O   0.948590875      -2.70340991       1.27503097    
 H    1.28342867      -3.58950639       1.45994675    
 H    1.66785860      -2.09180474       1.49254322    
 O  -0.739755034     -0.489913821       1.82553172    
 H   -8.91351700E-02   4.36267592E-02   2.29977298    
 H  -0.318379134      -1.34575939       1.67791367    
          69
 Energy    -250.74740401454793     
  O     12.48758159     11.26859148    -15.05384629
  H     12.71080074     10.51216480    -15.61550740
  H     13.77131482      5.87890086    -15.80750946
  O     15.38940935      6.41027475    -13.17721701
  H     13.24644476     11.85907150    -15.09678225
  H     17.31596058     12.01169286    -17.51123702
  O     17.86339016     10.09184397    -12.24536187
  H     16.29329032      6.57833805    -12.87622453
  H     16.42782195     10.77787671    -17.23269961
  O     18.11325742      9.81087874    -15.02968018
  H     14.78878381      6.65987988    -12.46248617
  H     15.40687807      7.96364981    -14.10749656
  O     12.03425177      6.65350554    -15.75384359
  H     18.00225067     10.10749716    -11.29029153
  H     16.35526706      8.97026655    -14.83096721
  O     15.24672809      9.67778958     -8.89560351
  H     16.99146421     10.48540683    -12.39526569
  H     11.70845245     10.71185547    -13.60195870
  O     13.67625814      7.33110776    -11.19934205
  H     18.17554704     10.08086296    -14.10302105
  H     10.43946180     10.75303729    -12.71859259
  O     15.34816365     11.02426684    -12.94452825
  H     17.78096577     10.55077734    -15.54863439
  H     17.85547693      6.95795356    -10.70775317
  O     16.65561894      6.64009190    -17.32259761
  H     11.89493976      6.93139048    -14.83023385
  H     17.89588557      8.00494210     -9.58173372
  O     15.13031254      6.80597289     -8.86559008
  H     11.24086634      6.20097977    -16.02641932
  H     12.30082882      7.30912922    -12.49500844
  O     18.57288002      7.08619914    -15.22405659
  H     14.58255209      9.94165535     -9.54552027
  H     11.48973080      8.47293847    -13.09549350
  O     14.69752166      5.61713973    -15.75223871
  H     15.11661586      8.73218112     -8.75111262
  H     17.92820034      8.19517883    -12.45806070
  O     16.78768594     11.59337492    -16.83598330
  H     14.07924524      7.03712848    -10.37291504
  H     18.27762863      7.04474830    -13.44104284
  O     15.44551699      8.82408244    -14.54549600
  H     13.65357341      8.29786659    -11.16191426
  H     18.32981706     10.41801276     -8.74068819
  O     11.29761870     10.34509727    -12.79859138
  H     15.22293329     11.76393804    -13.54869876
  H     16.94610181      9.92326085     -9.22563530
  O     17.67048183      7.08521653     -9.76741519
  H     15.27831998     10.22188487    -13.48827523
  H     16.16144593      8.42862326    -17.72398235
  O     11.70710827      7.54121273    -13.21985801
  H     16.85307320      6.00001695    -18.00207254
  H     14.86319417      9.23345905    -17.54284179
  O     17.95730876      7.23327921    -12.54604368
  H     15.93538788      6.26016024    -16.78800209
  H     14.19100163     10.51904978    -11.67778064
  O     17.89634451      9.93719654     -9.44061792
  H     15.09009222      6.16328183     -8.16292945
  H     12.67939525     10.25778559    -11.53407126
  O     15.78035656      9.30800107    -17.84084881
  H     16.05124910      6.81818358     -9.18398737
  H     14.99957817     13.73600783    -15.23428804
  O     13.52622947     10.13330457    -11.08830851
  H     17.97934293      6.82708427    -15.93807860
  H     15.58017848     12.39688596    -15.73978408
  O     14.95908071     12.79106972    -15.10673932
  H     18.60684284      8.05295034    -15.26454878
  H     12.86734966      8.22347113    -16.32275602
  O     13.40852580      9.01799809    -16.40161704
  H     14.94740684      5.72391233    -14.82345657
  H     14.11918373      8.92666223    -15.74561853
          69
 Energy    -250.74728080417341     
  O     12.22675185     10.13797579    -15.75208373
  H     12.48577468     10.51414705    -14.90017354
  H     15.70460041      5.86000222    -16.06894417
  O     13.90773507      6.32834070    -11.47994984
  H     11.50424849      9.53212880    -15.55447154
  H     15.36599419      8.57384594     -9.88637875
  O     18.07009988      6.10182220    -10.35624904
  H     13.02507325      5.97445172    -11.32548549
  H     15.17004268      7.19841944    -10.56419199
  O     12.44700524      4.11114414    -13.73605900
  H     13.82678126      6.98266669    -12.19310342
  H     14.65300679      8.18712177    -14.02672649
  O     10.31930179      8.04918167    -15.00590946
  H     17.31778711      6.67004331    -10.14025778
  H     13.43184463      8.92300277    -13.43450313
  O     14.41202090      6.34956000    -17.37976941
  H     18.66779477      6.64138809    -10.88699932
  H     13.70162107      9.43371715    -16.59560811
  O     14.36896269     10.08277462     -9.79416015
  H     12.37159651      4.81659030    -14.39390262
  H     15.17046910      9.05642068    -16.26129403
  O     19.53343152      7.60223076    -12.35278539
  H     13.39466672      4.00963975    -13.57939059
  H     11.63095541      4.78276867    -12.34308581
  O     12.46354764      6.38779149    -15.36861441
  H      9.55023741      7.83972608    -15.53060103
  H     10.82446813      4.63177266    -11.03080089
  O     17.62435278      3.87250700    -11.83421951
  H     10.99825468      7.39015462    -15.22951248
  H     10.43694331      8.02388946    -13.10738159
  O     18.72618752      5.52553775    -13.90119367
  H     14.44149999      6.13087867    -18.30673489
  H     10.75924949      7.03387758    -11.96051074
  O     16.30040091      5.81085486    -15.31221269
  H     14.44034875      7.32354817    -17.31587363
  H     14.79250624      5.11144578    -12.50526599
  O     15.84247260      7.79202770    -10.20019131
  H     14.77085459     10.66213829    -10.45233972
  H     15.98945111      4.14513232    -12.67802274
  O     13.80154667      8.04587461    -13.59187234
  H     13.43957970     10.00873306    -10.04406640
  H     10.96703129     10.48038460    -10.33384690
  O     14.49072058      8.99452498    -16.94446569
  H     19.28962882      6.88903698    -12.97038439
  H     11.27108650      9.26754076    -11.24121517
  O     11.29305715      5.26533292    -11.56736359
  H     20.47183948      7.73976370    -12.44791468
  H     16.41769248      7.59715404    -14.95281232
  O     10.59572530      7.96402364    -12.15766460
  H     12.92927159      6.96843887    -14.74603426
  H     16.66957316      8.75732137    -13.93657395
  O     15.19784550      4.47995052    -13.11738474
  H     13.03679488      6.29541620    -16.13916346
  H     12.54210609     10.61794062    -12.33354334
  O     11.67098475     10.04028614    -10.80347953
  H     17.97616405      3.10385745    -11.39362749
  H     13.95358725     11.02468943    -12.83766379
  O     16.25172716      8.53521761    -14.77797076
  H     17.75796996      4.62756932    -11.23294509
  H     16.25473532     10.65236801    -12.15752405
  O     13.08439170     10.71895276    -13.12694539
  H     18.00298508      5.60670614    -14.53607320
  H     16.13018053     12.19075566    -12.11913519
  O     15.62360873     11.38425283    -12.06083579
  H     18.44283553      4.85239396    -13.26957790
  H     18.09014726      8.73295894    -12.26819769
  O     17.21109984      9.12986013    -12.22144553
  H     15.84329665      5.32800589    -14.60774707
  H     16.72189282      8.63902267    -11.54414804
          69
 Energy    -250.74686480832162     
  O     11.38196783      9.08725995    -14.37926799
  H     11.59728093     10.02299771    -14.46251499
  H     18.19325163      7.06888458    -14.99871239
  O     16.80917318     11.26476566    -12.46881987
  H     11.85928533      8.64181947    -15.09353159
  H     14.24559222     10.76877592    -17.25274726
  O     16.69830303     11.03457100    -15.28456451
  H     17.03919202     11.44149056    -11.54792160
  H     15.14155555     11.45967087    -16.20008217
  O     13.91175523      5.29645150    -15.55402575
  H     15.84356642     11.18575059    -12.49586369
  H     15.63021734      9.53567263    -14.93052225
  O     15.35074663      9.72643884     -8.74648002
  H     17.50654991     10.68090391    -15.67796283
  H     14.37300737      8.61403026    -15.12211186
  O     15.53782641      7.19789559    -11.26032054
  H     16.88705351     11.25541572    -14.36300494
  H     10.61882701      7.31663600    -11.90076440
  O     14.11669646     10.70143442    -12.76166312
  H     13.61120689      4.40565546    -15.70902629
  H     11.42318834      8.15432159    -12.92259287
  O     16.77850476      8.27551229    -17.71621496
  H     13.80931172      5.46716342    -14.59829442
  H     18.58488403      8.77036596    -10.71635348
  O     16.86998715      7.28344307     -8.75970956
  H     15.78863874      8.87875292     -8.60111782
  H     18.42151890      9.86816000     -9.66054960
  O     18.88873438      9.72175765    -16.43626143
  H     14.58590647      9.53421040     -9.30535975
  H     12.88631416      6.40815585    -12.66154174
  O     16.42886408      6.57423912    -15.49350241
  H     15.97483022      7.04104956    -10.41369435
  H     14.39668524      6.22353097    -12.41196098
  O     18.89621026      7.66116016    -14.70174217
  H     14.83832123      7.84220471    -11.08011992
  H     17.43068462      9.50076713    -12.46751583
  O     14.25366078     11.46303842    -16.58401836
  H     13.48596111     11.19782264    -13.29603678
  H     16.95786896      8.07007613    -12.10161345
  O     15.09974512      8.83556531    -14.52403246
  H     14.40564691      9.95529605    -13.31197060
  H     16.53172045     10.88070293     -9.33359670
  O     11.50119212      7.59950902    -12.12530418
  H     17.53530697      8.80540421    -17.44122669
  H     17.34512499     12.17198496     -9.08601024
  O     18.74711348      8.96835318     -9.78256035
  H     16.68274239      7.58615243    -17.04508094
  H     15.24605780      8.88864796    -18.19344119
  O     13.65798151      5.90357003    -12.94554711
  H     17.21003166      6.68368084     -8.10175379
  H     14.23506955      9.22862821    -19.31586097
  O     17.73130141      8.58879177    -12.36223923
  H     17.61948039      7.83021951     -9.05679968
  H     12.71319191      8.52526076    -11.04241450
  O     17.25098755     11.43612935     -9.68510404
  H     18.98245726      8.98289516    -15.80663160
  H     13.64543035      9.71573747    -11.35603052
  O     14.34225687      9.20900418    -18.36890231
  H     19.76735599      9.95598193    -16.72097646
  H     11.89693046     12.58513994    -14.80610393
  O     13.46547163      9.02404772    -10.70148729
  H     15.69999743      5.95070690    -15.58219537
  H     13.00873549     11.68495774    -15.39498941
  O     12.36469021     11.76623774    -14.66811828
  H     16.06174781      7.32755862    -15.00560200
  H     13.31939453      6.97478087    -16.16297582
  O     13.06833172      7.90425261    -16.24365568
  H     18.61361363      7.96895982    -13.82833021
  H     13.42368854      8.25528379    -17.07023706
          69
 Energy    -250.74617434467461     
  O      9.41542257    -11.00496152     -0.86628470
  H      8.91424272    -11.71675218     -1.29566984
  H      4.49744261     -9.57141106      2.07241260
  O      3.02680964     -9.79013942      0.84906848
  H      9.52598299    -10.31524259     -1.53253240
  H      5.07575267    -11.17520330     -2.15799357
  O      8.89264353    -14.51924898      1.11404701
  H      2.17044650     -9.38835613      0.96805364
  H      5.37658245    -11.72285001     -3.57504961
  O      6.61298836     -8.76297729     -3.31189317
  H      2.91354080    -10.74432194      1.00983941
  H      7.00954709    -11.15728211     -5.03605577
  O      5.46356784    -15.71121812      2.75509966
  H      9.46810579    -13.75932641      1.26989831
  H      5.86279954    -10.99397566     -6.06299790
  O      5.93324565    -12.03483655      3.67258978
  H      8.73933090    -14.94638786      1.96669633
  H      8.32840520    -14.45861923      3.89077324
  O      4.97578911     -9.64607323     -1.18691457
  H      5.98324508     -8.89422584     -2.59132595
  H      8.58945459    -15.91523394      4.34827403
  O      8.65921416    -11.48980486     -4.53564695
  H      6.34395058     -9.37394674     -4.00900115
  H      8.33753194     -8.94410857     -3.04601015
  O      6.56454586    -12.86472670      1.08190656
  H      6.37821343    -15.66996125      3.05855378
  H      9.75439934     -8.35125442     -3.21742683
  O     10.19554981    -12.06952378      1.56768582
  H      5.48066228    -15.96769165      1.82516353
  H      4.92840903    -15.38723894     -0.30806490
  O      7.80253157    -15.43574006     -1.25601521
  H      5.66258032    -11.14278593      3.40532824
  H      4.70634360    -16.91264479     -0.42587705
  O      5.31859303     -9.60291130      2.57812867
  H      5.13777682    -12.56372510      3.80514655
  H      7.69499220    -12.37692804      3.98498132
  O      5.22587885    -11.98981427     -2.66047591
  H      4.21756532     -9.60989990     -0.59226001
  H      9.06274053    -12.33803427      3.24977143
  O      6.06933228    -10.92211027     -5.13543340
  H      5.75195630     -9.78377435     -0.62175140
  H      4.65758125    -13.19910548     -1.40940646
  O      8.16766921    -15.39433283      3.67022855
  H      8.51203227    -12.11383715     -3.80990220
  H      5.25868935    -13.37961850      0.00943837
  O      9.28756523     -9.14105675     -2.95788754
  H      9.03469848    -10.70293060     -4.12349715
  H      4.32765200    -14.53159104      3.32221765
  O      5.29261714    -16.25469684     -0.05973425
  H      6.34058117    -12.68459773      2.00521394
  H      3.20030526    -14.17092319      4.31867293
  O      8.59446783    -12.73785889      3.98980779
  H      7.32582804    -13.45618804      1.06621454
  H      3.07037440    -12.90162899      2.10250964
  O      4.54775941    -13.68194018     -0.58029171
  H      9.97039821    -11.64365492      0.72423721
  H      3.29791298    -12.93406898      0.57742267
  O      3.75124457    -13.80856870      3.63000091
  H     11.11218729    -11.86138336      1.73496441
  H      6.86403309    -11.14977751      0.66786200
  O      2.83799652    -12.45544589      1.27983309
  H      8.31003929    -15.22914414     -0.45724950
  H      7.94251354    -10.27320197      0.02350207
  O      7.08606399    -10.22867194      0.46148456
  H      6.98237707    -15.82888476     -0.93862073
  H      6.97328853    -12.58115382     -2.31598154
  O      7.89029538    -12.86942283     -2.22630611
  H      6.02615602     -9.60516338      1.91957900
  H      7.87618026    -13.80447566     -1.97742724
          69
 Energy    -250.74535460378490     
  O     10.92034850      9.12073880    -10.67464533
  H     10.53574960      9.17155462    -11.55945878
  H     16.99017693      6.58546186    -16.03322252
  O     13.94782504      8.42465575    -15.65378923
  H     10.98424897      8.17899845    -10.47151309
  H     17.20866341     11.66482743    -13.95216862
  O     18.08980171      8.47668240    -10.59326798
  H     14.70606599      8.58240998    -15.06647947
  H     15.80453436     12.28805105    -13.85517288
  O     17.90081355     10.37293429    -15.15903377
  H     14.29976089      8.43091358    -16.55118833
  H     16.08319071      9.01651017    -13.06029615
  O     12.63003188     10.36005066    -14.24537027
  H     18.58078527      8.88349046     -9.88395985
  H     16.29897089      7.72842665    -13.94653938
  O     13.46914793      6.12671189    -14.17115673
  H     17.41402761      9.11996715    -10.86993707
  H     12.42150604      6.47848181    -10.75740272
  O     16.14462470     10.10262598    -11.52267841
  H     17.23584449      9.77501876    -14.78111005
  H     11.54172421      5.66212150     -9.78468163
  O     15.88476825     11.14099236    -16.92849742
  H     18.66921627      9.81376996    -15.31411243
  H     17.27260706      5.14975960    -11.71592706
  O     16.24399960      5.90266248    -14.47739203
  H     13.10572567     11.16214121    -14.49518479
  H     18.01143053      3.85646410    -12.14634104
  O     19.68008298      8.19903101    -15.39710859
  H     12.99201443      9.65382260    -14.80218533
  H     10.60389368      7.29570830    -13.40890983
  O     15.44443760      8.52940748    -18.01471617
  H     13.55507993      6.87551978    -14.77887332
  H     10.92473953      6.25484292    -12.32338258
  O     17.37483488      7.11476360    -16.74562533
  H     12.52943873      6.07106008    -13.94376859
  H     18.86709145      7.68619558    -12.14880823
  O     16.59426322     12.09034753    -13.33829812
  H     16.33370172     10.88350279    -12.06608283
  H     18.80516179      6.29621004    -12.80687279
  O     16.07471665      8.66796018    -13.95877492
  H     15.18825410     10.06523809    -11.38685450
  H     16.98312911      6.94230772    -10.45365713
  O     11.50563654      6.32045273    -10.47379168
  H     15.69388610     10.32778175    -17.40945565
  H     15.57025078      6.43789146    -10.84933466
  O     17.75368589      4.72231537    -12.44865285
  H     16.69503882     10.96096769    -16.43089004
  H     14.83089664     11.97303174    -15.81865497
  O     10.87829389      6.37953762    -13.27926427
  H     15.29478342      5.75465835    -14.37265384
  H     14.14324629     13.30301153    -15.43339088
  O     19.15110173      7.18862393    -12.92505664
  H     16.71223506      5.37006267    -13.82306311
  H     13.82335021      7.95271144    -11.57144319
  O     16.45117873      6.14632476    -10.57742163
  H     20.60080374      8.04509622    -15.59062910
  H     13.84888763      6.67924280    -12.46215993
  O     14.31783871     12.41898674    -15.12009782
  H     19.51996489      7.84187673    -14.50519620
  H     12.58793418      9.64157279    -11.13775898
  O     13.96817123      6.99679846    -11.55622199
  H     15.36288466      8.21866030    -18.91195440
  H     13.20904769     10.00209794    -12.51310597
  O     13.42757933      9.74012421    -11.60926630
  H     16.17223468      8.02399663    -17.60816982
  H      9.49355025      9.58052333    -13.91654805
  O     10.24089190      9.19275573    -13.46721756
  H     18.19340175      7.47965295    -16.39036100
  H     11.02810179      9.66842074    -13.77840005
          69
 Energy    -250.74525433261991     
  O     -1.67601808      2.36411546      1.44551170
  H     -2.13164039      1.80326066      2.08781981
  H     -1.54523670     -4.12255571     -1.29500875
  O     -1.43293362     -3.39557826      4.72357729
  H     -0.73544998      2.24314502      1.62672764
  H      0.25616448     -0.32201325      4.39454598
  O     -1.33776314     -0.63999316      5.36987818
  H     -0.72274666     -3.36300185      4.06897164
  H      0.88977585     -1.26163516      3.35064155
  O     -3.43587418     -0.94315888      7.12409286
  H     -2.25008451     -3.56130550      4.22986543
  H     -1.00080394     -0.92853591      0.54841623
  O      0.27884329     -2.90392559      2.61524738
  H     -1.33626363     -1.57850730      5.13551473
  H     -2.37472542     -1.64206548      0.79410117
  O     -2.58079207     -3.70923991      7.21542522
  H     -2.00875748     -0.55259180      6.06140480
  H     -4.15418344     -0.57574464      3.09479786
  O     -3.92551935     -4.74638720      0.73345221
  H     -4.28109585     -0.98231794      6.66167735
  H     -5.34812192     -1.19048197      3.87484375
  O     -5.06935966     -4.02091380      5.85656410
  H     -3.19754277     -1.85998179      7.31229956
  H      1.02524972      0.89516232      2.52282108
  O     -2.01288403      1.70496202     -1.16155895
  H      0.70202956     -3.46110334      1.95247482
  H      1.82593537      2.10298021      1.98579374
  O      1.16906914     -4.31077931      0.35607312
  H     -0.40936199     -2.41085415      2.14016728
  H     -6.76162166     -1.28263969      6.04302681
  O     -1.48004896     -2.89400841     -2.71513589
  H     -2.02965935     -4.16007303      7.85000519
  H     -5.70721703     -2.38191557      5.77033890
  O     -1.55205916     -4.68742193     -0.51143458
  H     -2.07167030     -3.66207355      6.38869922
  H      0.87059759     -1.43066033     -1.14137683
  O      0.92874074     -0.36298508      3.70252693
  H     -4.42309681     -5.48709312      0.39815616
  H      0.23412501     -2.52171386     -2.01544322
  O     -1.53485328     -1.39964833      1.20069869
  H     -3.04818739     -4.77942842      0.31013799
  H     -2.16133951     -0.24446654      2.44121002
  O     -4.88525138     -1.20891113      3.02823001
  H     -4.70986840     -4.12366406      4.96418349
  H     -2.18033721      0.11274512      3.94647482
  O      1.05384546      1.56897566      1.81979903
  H     -4.30395534     -4.04490064      6.44466057
  H     -0.46081451      0.69385471     -0.83343053
  O     -5.90603933     -1.43610711      5.65040117
  H     -2.13986344      2.49495607     -1.68028055
  H      0.59730128      0.62176526      0.30067702
  O      1.01021184     -2.32754001     -1.47458930
  H     -1.98360557      1.98600946     -0.22929216
  H     -2.78195582      0.04461579     -1.65507990
  O     -2.59911582      0.31654250      3.09963380
  H      1.89700509     -4.89205765      0.15359769
  H     -3.61073455     -1.16393621     -1.14921746
  O      0.20495577      0.12328506     -0.42897766
  H      1.19945732     -3.58591836     -0.29518808
  H     -4.15976975     -2.88221986      3.22761282
  O     -3.04952798     -0.85549100     -1.87408975
  H     -1.67866917     -3.07378990     -3.63020424
  H     -3.82953861     -4.21663825      2.50372164
  O     -3.80586776     -3.77348111      3.35976284
  H     -2.03895816     -2.14162558     -2.45125289
  H     -4.23231758     -2.92130636      0.43907173
  O     -4.21469194     -1.95633078      0.39830977
  H     -0.66017634     -4.65469588     -0.14797013
  H     -4.61512734     -1.63158521      1.21557144
          69
 Energy    -250.74322117763396     
  O     17.98397303      9.20776669     -9.62039990
  H     17.51067597      9.11438753    -10.45938047
  H     15.22303923     11.90431538     -8.11915708
  O     11.82743234      6.82157193     -7.46663171
  H     18.36630530      8.34460743     -9.40949051
  H     11.43653473     11.51837318     -7.11108891
  O     19.00524450     11.36256696     -8.31562592
  H     12.13865275      7.42577971     -6.76719785
  H     11.87136135     10.33805762     -8.01371236
  O     11.46071325      9.09842294     -9.15620678
  H     11.23125188      6.20296340     -7.05464802
  H     13.42068710      6.62231726     -8.34210260
  O     16.50790650      8.71256999    -11.88031135
  H     19.59295021     11.85991701     -8.87828020
  H     14.65368894      7.54186157     -8.62373304
  O     18.86252771      6.65441103     -9.10494431
  H     18.65608196     10.62925609     -8.85169926
  H     17.86924631      7.31204929    -12.05853771
  O     19.72041061      7.02373990     -6.46618440
  H     11.84081771      8.95182644    -10.03035757
  H     18.71260350      6.54388155    -11.01549289
  O     16.54021817      5.12452595     -8.78514476
  H     11.48334463      8.25110106     -8.69454539
  H     16.72982146     10.68154535     -3.78959696
  O     12.65097962      8.69816199    -11.72252053
  H     15.87384647      7.99148050    -11.77497823
  H     16.42169711      9.70938966     -4.95226076
  O     16.59765698     12.19235748     -7.01965365
  H     15.98000527      9.52423648    -11.82162284
  H     15.12410272      9.88088783     -8.46157979
  O     14.71098331     10.73025339    -11.41371863
  H     19.29238936      6.73050547     -8.24378155
  H     16.41687127      9.06097523     -8.69809771
  O     14.53502494     11.56078142     -8.71074789
  H     18.06355614      6.12439482     -8.96746966
  H     19.31407006     10.27795271     -6.79868958
  O     12.17571348     10.95326587     -7.32100190
  H     19.58512221      7.97440594     -6.30252397
  H     18.54677412      9.95210835     -5.50588463
  O     14.25939755      6.67626251     -8.81356517
  H     20.50022423      6.76978698     -5.97999112
  H     13.75315536      8.52478344     -5.57401326
  O     18.32231631      6.47488732    -11.89709962
  H     16.51892387      4.73110073     -9.66530734
  H     12.67775252      9.49902596     -6.13461937
  O     16.92730083     10.50273070     -4.70525317
  H     15.71344608      5.62433783     -8.70900708
  H     15.06143005      5.88536222    -11.71385338
  O     15.53871275      9.02361073     -8.30010833
  H     12.16093513      8.67816323    -12.54191263
  H     14.38212014      6.65863030    -10.56700994
  O     19.28161311      9.65950772     -6.05873981
  H     13.26981677      7.95131874    -11.75411101
  H     17.98374083      6.29741270     -6.11527521
  O     12.80477158      8.63430241     -5.72554306
  H     16.65695961     11.71095712     -6.18608342
  H     16.88226157      5.53383054     -6.87085787
  O     14.54004240      6.67370232    -11.52481186
  H     17.43518353     12.03068955     -7.47197360
  H     16.05342491      7.46677929     -5.66006175
  O     17.06214077      6.01509643     -6.05542780
  H     14.64887333     11.13594497    -10.53868011
  H     15.59379449      8.62415951     -6.57564496
  O     15.59948250      8.32119701     -5.65444862
  H     13.92531311     10.17928903    -11.50881471
  H     17.15281464      5.17731564    -11.79094802
  O     16.42808830      4.55078060    -11.61301504
  H     13.71458259     11.49676484     -8.20601299
  H     16.59581267      3.77820889    -12.14574862
          69
 Energy    -250.74306920065237     
  O     -3.44682198     -0.64645186      2.50159272
  H     -3.37598131     -0.83434436      1.55327163
  H     -3.10460699     -3.68359002      2.07886125
  O     -1.32779918      2.33210363      2.08637358
  H     -3.81148192      0.24360814      2.56905750
  H      3.15808854      0.14484898      1.55211233
  O      1.38635344     -0.41089480      4.79509759
  H     -1.06529827      1.50397993      2.51192065
  H      3.45706809     -1.27846835      0.96055448
  O      2.00392189     -3.46699572     -0.95719972
  H     -2.27789501      2.41495704      2.22795510
  H      0.00060916     -2.82571323      0.81519104
  O     -3.26997155     -1.22230269     -0.23738899
  H      1.21103825     -0.19055739      5.70639044
  H     -0.20782691     -4.11626259      1.63661384
  O     -3.89723656      1.55459398     -0.44004716
  H      0.54863989     -0.30007924      4.31292500
  H     -1.72521199     -0.40976235      3.07492586
  O     -4.16330905      2.09222235      2.20742733
  H      2.67125047     -3.37008343     -0.26681943
  H     -0.33720035     -0.53168244      2.38987886
  O     -1.11861355      2.18769620     -0.71305154
  H      1.21078346     -3.76038020     -0.49050536
  H     -3.10104296     -4.77273250     -0.34443960
  O      1.33808541     -1.50237291     -2.74686815
  H     -3.30309693     -2.18513562     -0.19475230
  H     -1.94639542     -3.94446767      0.26890219
  O     -0.92656946     -0.45952779     -1.44708050
  H     -2.45753836     -1.00230663     -0.71865413
  H     -0.53565835     -5.11877336      4.01846179
  O      0.39090722     -1.07783022      0.90846637
  H     -3.85542040      0.59085971     -0.49509979
  H     -1.33597408     -3.94583676      3.41329121
  O     -2.95376864     -3.38528288      2.98432728
  H     -3.02937756      1.87459143     -0.71896714
  H      0.44807325      3.01504030      2.00109791
  O      3.09207648     -0.41022234      0.75821989
  H     -4.89539944      2.66791991      2.40987161
  H      1.48295461      3.21595401      0.88211110
  O     -0.23491652     -3.76409571      0.73850767
  H     -4.16354509      1.96351792      1.24113402
  H      4.47768319     -3.50073273      1.64067427
  O     -0.79057500     -0.19194530      3.17871024
  H     -0.30018375      2.64673348     -0.94163708
  H      3.08743917     -3.04844945      2.14340141
  O     -2.91278549     -3.98950590      0.16603192
  H     -1.17797969      2.21644004      0.25307305
  H      1.90337459     -2.05669535      3.99969127
  O     -0.44474639     -4.32911393      3.49092098
  H      1.61400787     -2.19924523     -2.12579443
  H      1.18585978     -3.35620754      3.58137661
  O      1.39336529      3.11885335      1.83725190
  H      1.48388896     -1.84751022     -3.62388364
  H      2.45843205      1.88998986      2.64896474
  O      3.66540185     -3.08770965      1.36001002
  H     -0.90873050      0.50331316     -1.33835420
  H      2.49674013      0.71216698      3.66593869
  O      2.02490897     -2.88469832      3.51928202
  H     -0.19975701     -0.73760053     -2.01726563
  H      2.20476202      0.09915981     -2.13683573
  O      2.99118435      1.14181810      2.96017363
  H     -0.04820772     -0.79505858      0.09637289
  H      2.85801237      0.44721508     -0.79177328
  O      2.55338542      0.83653202     -1.62561921
  H      1.32435150     -0.83612562      0.84408896
  H      1.89618993      3.91553794     -1.54253475
  O      1.44232035      3.22579830     -1.06639162
  H     -3.22493639     -2.45860900      2.99638402
  H      1.87857027      2.38671052     -1.30216952
          69
 Energy    -250.74229432575436     
  O     -3.40678516      1.52459288      1.00132187
  H     -3.72342680      2.37243223      0.70081083
  H      2.37429994     -1.76006148      2.77449478
  O     -2.88981488     -1.83631249      7.34071120
  H     -2.44978772      1.50352868      0.82367549
  H     -0.89485535     -1.06757184      2.52853956
  O      1.01695893      1.28018223      2.78475396
  H     -2.63849143     -1.72115254      8.25379249
  H     -0.76192112     -1.36897557      0.99205796
  O     -3.72308655      0.08067540      3.38271541
  H     -2.06608173     -1.88914572      6.82839678
  H     -2.16567494     -4.36964111      0.99815750
  O      2.06656569     -2.36242660      5.75283360
  H      0.27736285      0.92684594      3.31067159
  H     -1.82263169     -3.18619899      1.91394131
  O     -3.74976205     -4.27899668      6.03527158
  H      1.28246976      2.09810145      3.19939927
  H      0.72460330     -2.70984067      1.93183259
  O     -0.69678645     -2.12209243      5.70647946
  H     -3.70216163      0.67930354      2.62551837
  H      1.54496703     -3.85018006      2.59064277
  O      1.31279029     -4.69549721      4.16093056
  H     -3.96497484     -0.79247462      3.03862812
  H     -3.84482719     -3.05148495      2.20764228
  O     -5.98059200     -3.07489170      4.67696639
  H      2.30137326     -1.85895508      4.95255529
  H     -5.10110560     -2.72103237      3.07193516
  O     -0.74252452      1.36099499      0.51023387
  H      2.82506320     -2.33290823      6.32930229
  H      1.41512922     -3.41479992      0.12441202
  O     -1.56008094     -4.46552262     -0.73482276
  H     -4.54389262     -4.01679865      5.55396123
  H      1.90627567     -3.76837994     -1.29762345
  O      2.57804046     -1.07074025      3.42098468
  H     -3.53988721     -3.53265151      6.60914331
  H     -0.91875106     -0.67407290      4.65834389
  O     -0.79269826     -1.76468389      1.87219173
  H     -0.96946946     -2.92037169      5.22885702
  H     -2.01196606      0.12777946      3.88278765
  O     -2.34888425     -4.00074363      1.87214872
  H      0.25822753     -2.17968797      5.83900509
  H     -1.20896517     -1.35139508     -1.28651064
  O      1.55634560     -3.20423173      1.86945744
  H      0.36222193     -4.78682245      4.31561009
  H      0.23372668     -1.76660267     -0.91898030
  O     -4.53234763     -2.38888140      2.36726798
  H      1.62678270     -4.04951412      4.80378341
  H     -3.36227897     -1.74410305     -1.27439034
  O      1.16839623     -3.40297986     -0.81660580
  H     -6.90836452     -3.20801850      4.85151843
  H     -3.18562665     -2.10034163     -2.76973354
  O     -1.05849588      0.04034939      4.02170763
  H     -5.73000577     -2.23362219      5.10047446
  H     -4.28756767     -1.03412954      6.34663436
  O     -0.40869128     -1.05054335     -0.83419066
  H     -0.05959307      1.37766253      1.19036626
  H     -4.59121474     -0.30883212      5.01261374
  O     -2.74701640     -2.13022040     -1.92395356
  H     -0.52244447      0.63313518     -0.08756226
  H     -2.27643403     -4.56214545      5.02929337
  O     -5.00301470     -0.77786247      5.75045490
  H     -0.62464053     -4.24017710     -0.79683520
  H     -1.80100150     -4.43982347      3.55474299
  O     -1.49138289     -4.46953476      4.47011377
  H     -2.02567440     -3.75831898     -1.19929316
  H     -4.05786812     -0.10782017      0.24698531
  O     -4.30706175     -0.98857600     -0.05597325
  H      2.14006905     -0.26759427      3.11852370
  H     -4.51031709     -1.50385208      0.73612774
          69
 Energy    -250.74158763821401     
  O     13.88104172      4.69444125     -9.96126184
  H     13.81038158      5.65235159     -9.86996340
  H     16.42645802      7.47920805    -17.20956609
  O     12.17762485      4.17963018    -12.13198527
  H     13.30460268      4.46473179    -10.70477506
  H     18.17935287      5.96470905    -14.36685843
  O     16.53107817      4.15541696    -10.78830766
  H     12.24440866      3.22150761    -12.01448568
  H     17.20695057      4.76896271    -14.51808466
  O     19.40110561      6.85597087    -13.20417915
  H     12.83145665      4.42865613    -12.80467455
  H     14.48488829     10.20759864    -11.49689626
  O     12.17597285      8.44336016    -13.78272776
  H     15.63011127      4.36958992    -10.51088594
  H     14.28045156      9.14972045    -10.39771898
  O     12.84185308      1.57708747    -11.59692272
  H     17.05291144      4.96442584    -10.70674908
  H     16.19432282      6.83195424    -11.96333664
  O     13.76525099      2.13212181     -8.90784194
  H     19.16138337      7.80037660    -13.16833647
  H     15.59868039      7.80106319    -13.01661438
  O     18.51177790      9.38354754    -12.89598652
  H     20.34530183      6.81315841    -13.32968493
  H     14.12752037      7.33318319    -11.18009456
  O     17.44787267      9.32137297    -10.23393654
  H     11.74490363      7.84648297    -13.16331289
  H     12.62035048      7.29533334    -10.81671457
  O     14.17926253      4.96988559    -13.78324749
  H     12.51279369      7.89937620    -14.51080347
  H     15.63819273     -0.07305317    -12.94995891
  O     16.06237191      9.17634584    -14.15081890
  H     13.63574571      1.28912773    -12.06364371
  H     15.76576044      0.94671202    -11.79319391
  O     16.05718534      7.43063090    -16.33180333
  H     13.07841318      1.59599248    -10.66173604
  H     10.17485137      6.65461308    -11.55941180
  O     17.49882828      5.58735802    -14.93729791
  H     13.35521274      2.07625698     -8.04841098
  H     11.37582243      5.75180989    -11.91626425
  O     14.82394330      9.90991459    -10.64413133
  H     13.80069410      3.07522497     -9.13845461
  H     16.12659685      2.44411909    -13.40068551
  O     15.38578006      7.05752321    -12.43858560
  H     18.24505359      9.50342223    -11.97669252
  H     16.52079000      3.67176469    -12.55967956
  O     13.50097481      7.42752557    -10.44361851
  H     17.69021517      9.41482405    -13.40877173
  H     16.53820800      2.35058110    -10.31092354
  O     15.41701186      0.81873581    -12.69395831
  H     17.73278062      9.80867271     -9.46535721
  H     15.45672458      1.52208017     -9.60763298
  O     11.10399988      6.67443582    -11.77472464
  H     16.51503411      9.55821564    -10.38089502
  H     13.52008182      6.04462770    -15.14304401
  O     16.41925973      3.36059936    -13.47177423
  H     14.56984765      5.74153350    -13.34512860
  H     14.19519974      7.07009439    -16.05066413
  O     16.23598729      1.44164378    -10.17137996
  H     14.88215616      4.31022796    -13.81950906
  H     18.40508909      6.62796184    -11.66408543
  O     13.33606321      6.81947226    -15.69203718
  H     15.27399038      9.71366264    -14.00104051
  H     17.69190173      7.50642681    -10.59348666
  O     17.75144073      6.61095528    -10.95156261
  H     15.97987183      8.70152463    -14.98819913
  H     13.15700209      9.78704041    -13.43088982
  O     13.78369809     10.51527800    -13.26079931
  H     16.55075453      6.73510271    -15.86064522
  H     13.34593203     11.32113712    -13.52029843
          69
 Energy    -250.74132620042661     
  O     15.56406866      9.50078284    -15.14633050
  H     16.29133656      9.69959252    -15.76264973
  H     18.53439576     10.22825947    -16.62291726
  O     18.83251049     15.09725071    -16.91449147
  H     15.06909295      8.78173758    -15.52957908
  H     17.20600268     12.10120512     -8.13200982
  O     20.41718190     10.41896902    -16.26356186
  H     19.51835591     14.41958200    -17.05943461
  H     17.78945351     12.67467326     -9.44340783
  O     18.79780125     13.85675811    -10.32188415
  H     18.81899377     15.64760250    -17.69298383
  H     22.04023172     16.34826793    -12.50314475
  O     14.72268819     13.86036742    -12.68435496
  H     20.63391314     10.67443182    -15.35180811
  H     20.57499213     16.52778055    -12.96593873
  O     18.66536538      9.89574683    -10.52870643
  H     21.03757704      9.73509597    -16.50635215
  H     19.99290203     12.52216918    -10.88005959
  O     15.27192260     11.53345937    -11.09465322
  H     18.30973218     14.14615727    -11.10599515
  H     20.05677037     10.98836300    -10.84978159
  O     21.71456690     14.03036953    -14.56370910
  H     19.39336247     14.57101939    -10.06364394
  H     16.21201590     10.47097067    -12.15183081
  O     20.71150387     15.80396745     -9.78057686
  H     14.68176071     13.29223015    -13.47572065
  H     16.38482318      9.67714586    -13.48507266
  O     20.94779809     11.50288890    -13.78267028
  H     13.90267326     14.34576242    -12.65493369
  H     20.60903148     12.24819027    -16.94320587
  O     14.75407228     12.28240667    -14.88382492
  H     18.10141135      9.75885427    -11.30196730
  H     21.26266226     13.47826892    -16.28021432
  O     17.58737614     10.28703960    -16.79388420
  H     18.14594377     10.44444388     -9.92873062
  H     23.24413422     14.56911573    -11.96525426
  O     17.22826230     11.97134114     -9.07674360
  H     15.83895196     11.74045170    -10.34081249
  H     24.44753042     15.25002441    -12.66407739
  O     21.19956230     16.75934501    -12.26605670
  H     15.04748080     12.37010544    -11.51842015
  H     19.17961551     15.60408859    -15.12653204
  O     20.57959260     11.77588013    -11.06225925
  H     20.93577065     14.57873795    -14.39110905
  H     18.71482701     15.32891354    -13.66871933
  O     16.85402061      9.99700452    -12.70561979
  H     22.43516915     14.38685772    -14.03027104
  H     21.98988891     14.39055070    -10.16417807
  O     20.75340618     13.19456655    -17.05303620
  H     20.84644746     16.21670796    -10.65287138
  H     22.01799194     12.94540179    -10.70657047
  O     23.50796274     15.10716664    -12.73401526
  H     20.81853209     16.49231181     -9.12995991
  H     17.75430525     11.35968011    -13.43480741
  O     19.45414937     15.65235692    -14.20226721
  H     20.91290649     11.49232019    -12.81612591
  H     19.16709622     11.89884486    -13.81536827
  O     22.55596918     13.74068763    -10.59852815
  H     21.30048205     12.36731243    -14.04062513
  H     17.57918214     13.75781391    -16.50031427
  O     18.22688242     12.10991149    -13.82233956
  H     14.86093132     11.32514863    -14.90697281
  H     17.53157419     12.67689575    -15.38699091
  O     17.09845954     12.97924554    -16.20180626
  H     15.45327872     12.63040456    -15.45566112
  H     16.50421362     14.40824522    -12.64145110
  O     17.46804920     14.43848036    -12.66554345
  H     17.38874293     11.23375664    -16.80990537
  H     17.75118494     13.59441886    -13.05534757
          69
 Energy    -250.73983970513723     
  O     15.71946339     10.38325253    -16.07970663
  H     16.20771191     10.96084476    -15.47715003
  H     17.55836097      5.42417526    -16.35260142
  O     16.44022398      4.81874938    -13.24925459
  H     14.80153003     10.38409571    -15.78116562
  H     19.17539172      5.48726597    -11.22889502
  O     17.20340175     13.60418564    -11.80192979
  H     17.21506684      5.16930573    -12.79582732
  H     18.54133786      6.83898135    -11.60923642
  O     19.48352858      8.88983780    -14.97682820
  H     16.58322027      4.96712159    -14.19561692
  H     16.41126655      8.79840075    -15.33363817
  O     14.69934864      6.52426473    -17.57747974
  H     16.50216579     13.25432950    -11.23745034
  H     16.78326995      7.27669360    -15.20959140
  O     17.64006955     10.66680359     -9.50022341
  H     17.09215188     13.15864410    -12.65211257
  H     13.16814686      9.17041599    -15.01324503
  O     15.52864772      8.13186735    -12.37261720
  H     19.59468460      9.53592448    -14.26954735
  H     12.31028498     10.42770764    -15.29734272
  O     16.85841130     11.69067648    -13.88818715
  H     18.56002888      8.60106799    -14.90531490
  H     17.85967507      9.13231335    -10.40818282
  O     20.12689871      6.22852604    -14.45835203
  H     15.25319943      7.28187135    -17.84633110
  H     17.04741918      8.31486733    -11.45100130
  O     13.98582665      5.86855564    -12.92814468
  H     14.27305753      6.20030387    -18.36583351
  H     13.76566421      7.10146140    -16.02055459
  O     19.31452822      5.32802463    -16.86907306
  H     18.33229730     11.28001707     -9.77763162
  H     13.53812389      6.86865843    -14.50190470
  O     16.71474092      5.57029297    -15.90437325
  H     16.80755512     11.12120772     -9.67729831
  H     20.13211628     13.11358332    -10.53203310
  O     18.75914893      5.95597738    -11.94931603
  H     14.92346723      7.38231012    -12.39284420
  H     18.71010610     12.99217947    -11.13239622
  O     16.82166821      8.13361876    -14.76522149
  H     15.99993186      8.12536397    -13.22276983
  H     18.75583489      9.72182301    -12.18730274
  O     13.13762263     10.14058118    -14.92045852
  H     17.64184754     11.23446498    -13.55000047
  H     19.38780848     11.13411238    -12.09000514
  O     17.93630331      8.44872908    -11.09007742
  H     16.09692598     11.34373648    -13.40297681
  H     14.92271183     11.61415393    -11.08298452
  O     13.34624355      7.46807583    -15.23272069
  H     20.07412665      7.18357129    -14.60765960
  H     14.50992684     12.35505696     -9.79147167
  O     19.46303217     12.48284720    -10.78246225
  H     19.70558553      6.07345471    -13.60571804
  H     19.15591323      7.14366901    -17.54021805
  O     19.10918854     10.45269902    -12.71332099
  H     14.84343035      5.41370984    -13.02168541
  H     19.29026027      8.51040931    -16.85551621
  O     15.26541420     12.10655104    -10.31841334
  H     13.40422167      5.26887015    -12.46951361
  H     13.96167910     10.61212527    -13.30441030
  O     18.97642397      8.08312591    -17.66275646
  H     19.66923655      5.57686286    -15.99512658
  H     14.87144648      9.76606047    -12.38772891
  O     14.56025836     10.67015324    -12.54988634
  H     19.90520049      4.67381578    -17.23115160
  H     17.24618441      8.44041913    -18.07373902
  O     16.29302814      8.59518466    -18.15115468
  H     16.03604040      5.74921137    -16.56721396
  H     16.09641596      9.36277810    -17.59951318
          69
 Energy    -250.73946196223173     
  O     -3.86085803     -0.30453820      3.12836320
  H     -3.63962209      0.52956936      3.56526272
  H     -2.64249466      2.87729061     -1.06666592
  O      0.26054961      3.48484192      3.05588857
  H     -3.02973756     -0.71415870      2.85189859
  H     -5.93134640      1.49999573      0.43785099
  O     -1.52487672     -1.29733391      2.05122900
  H      0.73146727      4.30077779      3.20827877
  H     -7.35838159      1.56390281      1.00667077
  O     -3.87054740      0.48067798     -2.85354700
  H     -0.62059775      3.73101942      2.73044863
  H      0.98103697      1.92570936      2.21291184
  O     -1.80390204     -1.30870893     -2.01474742
  H     -0.83233129     -1.27162915      2.72284520
  H      0.73491633      0.83872324      1.13584032
  O     -4.23652910      0.81262235      0.61420834
  H     -1.23840041     -0.69866227      1.34651070
  H     -5.54826566      3.73645007      2.96513156
  O     -7.78877443      1.32326862      2.82056858
  H     -4.64769778      0.06773437     -2.45144501
  H     -4.96009852      2.68841619      3.92651265
  O     -3.16896604      2.16488967      4.14562727
  H     -3.12590582     -0.09729384     -2.65013683
  H     -3.10252757      4.45882279      2.06563411
  O     -3.72517694      3.16225990     -2.56307843
  H     -2.29563153     -1.80128109     -1.33224872
  H     -2.23057722      3.47265479      1.25892946
  O     -5.90165791     -0.56502962     -1.27653471
  H     -1.40493441     -1.95897835     -2.58717736
  H     -5.10670834      4.74034319      0.91762894
  O     -5.89511152     -2.71248648      0.53408628
  H     -4.53007139      0.15287549     -0.02510206
  H     -5.16580633      5.96992354      1.85318219
  O     -2.32408997      2.52408351     -0.22829335
  H     -4.15890961      0.38818667      1.47819245
  H     -6.97193304     -0.40154084      2.75827832
  O     -6.85568303      1.66022482      0.18900810
  H     -8.56617221      1.52364396      3.33454303
  H     -5.54744494     -0.94697386      2.99484772
  O      1.26361720      1.05144131      1.91701796
  H     -7.08739696      1.92656559      3.12790336
  H     -0.26663715      0.73291239      4.75626991
  O     -5.78791571      2.99776417      3.53693955
  H     -2.89076821      2.74918785      3.42806119
  H     -0.22702548      2.24327306      4.47135832
  O     -2.29201590      3.93651060      2.10804380
  H     -2.36031835      1.93165601      4.62444305
  H      0.92778016     -0.13085913      3.15467362
  O     -4.83845751      5.07632009      1.79181762
  H     -3.58098813      3.56775296     -3.41352823
  H      1.32911264     -1.22897013      4.17084253
  O     -6.43239424     -1.19708526      2.69000130
  H     -3.80121448      2.20297973     -2.71980049
  H     -4.00660215     -2.66442292      0.26124967
  O     -0.64104392      1.57708832      5.03456742
  H     -6.46554067      0.11865735     -0.88974988
  H     -2.60821779     -2.27933489      0.82907230
  O      0.58208060     -0.74643824      3.82737830
  H     -6.01029201     -1.36504933     -0.74683529
  H     -0.88182752     -0.20607274     -0.79712289
  O     -3.08115076     -2.53421133      0.02623946
  H     -6.37122049     -3.53702696      0.58197531
  H     -1.13405433      1.17173433     -0.14600672
  O     -0.61894534      0.35698481     -0.05896702
  H     -6.13655823     -2.20196166      1.32826064
  H     -6.20073606      3.29882085     -0.43028700
  O     -5.61719409      4.05257892     -0.59100845
  H     -3.02131060      1.92398845      0.08856665
  H     -5.02221106      3.79055447     -1.30321524
          69
 Energy    -250.73945962796722     
  O     15.83722324      9.21879434    -16.27672599
  H     15.12041212      9.02071893    -15.65573610
  H     14.08016886      2.47426813    -17.06299050
  O     14.07689607      5.68394889    -15.44904546
  H     16.60649917      9.45565618    -15.74901119
  H     19.19635656      3.78134343    -17.12320028
  O     18.61082118      5.36540238    -12.26357416
  H     15.01751576      5.91340278    -15.51041882
  H     18.47655432      3.25949515    -15.87044778
  O     18.64561650      4.38727308    -18.83121265
  H     13.96725374      4.90903521    -16.01078785
  H     18.66890489      6.09704755    -18.09259023
  O     15.98331627      4.86637631    -18.83975626
  H     18.14785635      6.17945621    -12.51643239
  H     17.68646154      7.29887732    -18.04551163
  O     15.35459837      6.90286915     -9.28169504
  H     19.32920219      5.25951935    -12.89800869
  H     16.99633167      6.54205180    -14.68288362
  O     14.27734992      4.91174080    -12.75989361
  H     18.93676582      4.08580119    -19.68737688
  H     17.41497683      6.31142075    -16.16556149
  O     17.20759432      7.52517088    -13.15797759
  H     17.67626168      4.47862374    -18.87854431
  H     14.02860690      8.26002809    -13.60470643
  O     16.68998458      3.25570300    -15.26776257
  H     15.81312422      5.80422555    -18.68615306
  H     13.70476884      7.48733873    -14.89630636
  O     13.98265354      4.46796908     -9.98312559
  H     15.39602337      4.36768037    -18.25989449
  H     16.00296677      2.06994362     -9.24170692
  O     19.92689686      7.82843205    -15.46798384
  H     15.41705469      7.36875144     -8.45231720
  H     15.30717442      3.33061643     -9.81152983
  O     14.51601587      3.31448482    -16.94740281
  H     16.18430086      6.40360599     -9.38643695
  H     21.41224456      4.95032377    -14.27321693
  O     19.33356083      3.56746774    -16.19255206
  H     15.09495004      4.39615120    -12.73144823
  H     20.10331794      4.62795728    -15.02518841
  O     18.47524772      6.92325311    -17.63222159
  H     14.08815424      5.09365887    -13.68907761
  H     16.51401144      3.03937175    -11.63742971
  O     16.84390534      5.98889798    -15.46019816
  H     16.34790290      7.64446655    -12.73269302
  H     17.36553665      4.05597410    -12.44430050
  O     13.84884934      8.37588389    -14.54528828
  H     17.49111108      8.36839674    -13.53178713
  H     18.05512857      5.36860544    -10.45902061
  O     16.13444682      2.81575214     -9.82009886
  H     16.79244220      4.21814029    -15.36030532
  H     17.19899927      4.41993233     -9.59711478
  O     20.49995433      5.21678132    -14.35944763
  H     16.65856636      3.08825323    -14.31645615
  H     14.52625505      6.62626362    -12.22221704
  O     16.65386130      3.40274853    -12.51987467
  H     13.86291641      4.58391984    -10.93563686
  H     14.89253098      7.49189105    -10.99906971
  O     17.54528260      5.31983406     -9.63998650
  H     14.29303918      5.32029300     -9.65244761
  H     18.57848298     10.52771261    -14.44169648
  O     14.73114990      7.53373089    -11.94944392
  H     19.52965575      7.56916160    -16.31269331
  H     18.86388681      9.08055267    -14.91525194
  O     18.16319529      9.68688098    -14.61180466
  H     20.16424934      7.00514181    -15.02714431
  H     15.61878323      8.26521624    -19.22500089
  O     15.94131686      7.72664745    -18.50717977
  H     15.27244272      3.16134360    -16.35469043
  H     15.84987817      8.26491415    -17.69923268
          69
 Energy    -250.73872546625898     
  O     12.59115240      7.89589783    -15.78482427
  H     12.66016973      8.85625493    -15.84315320
  H     18.30201531      6.14279217    -14.90960849
  O     17.86139432      7.20199087    -13.42540178
  H     13.34950595      7.54405854    -16.26948914
  H     16.08708773     11.22165096    -16.71227156
  O     16.87590499     11.33241226    -12.75044787
  H     18.41024031      7.91312521    -13.07561372
  H     15.66105836     10.26395556    -17.83954922
  O     17.45934437     11.19065664    -15.47637600
  H     17.23203010      7.64260783    -14.01839784
  H     16.66930242      9.40981366    -15.31822053
  O     15.73004891      4.51832992    -15.94986171
  H     16.89605682     11.45322760    -11.79031364
  H     15.48625981      9.09600294    -14.38861198
  O     14.63903267      9.41691452     -9.44603948
  H     15.99198626     10.99258531    -12.95209326
  H     12.25359201      7.07795583    -14.30684309
  O     15.94782336      6.36203589    -11.63865089
  H     17.28571285     11.43084176    -14.55516883
  H     11.24547995      6.26954195    -13.45423819
  O     14.43716477     10.19916244    -13.38559534
  H     18.38297269     10.91620889    -15.52243528
  H     19.86825319      9.28739757     -9.55989119
  O     18.78064947      8.24067187    -17.05075176
  H     15.60804992      3.60467723    -16.19287263
  H     19.14817896      9.34534942    -10.92365514
  O     16.80752399      7.51546233     -9.29630647
  H     15.30019729      4.63643447    -15.08341792
  H     13.65440909      5.43666679    -13.55558289
  O     19.99818489      9.94528553    -15.37094233
  H     14.23966274      8.98648659    -10.21839563
  H     15.01356460      5.30208203    -12.84029965
  O     18.30687717      5.80724387    -15.81662183
  H     13.93378935      9.55509167     -8.81777113
  H     18.31622776     10.19240459    -12.73025974
  O     15.33715402     10.97223292    -17.27067758
  H     16.25947179      6.60111832    -10.75455352
  H     19.53936238      9.72119328    -13.55821715
  O     16.13943526      8.68343706    -14.96784546
  H     16.66286169      6.58972354    -12.25022904
  H     16.07191285     10.65332834     -9.79171657
  O     12.13208146      6.61980740    -13.45536906
  H     14.06863717      9.50890012    -12.81829562
  H     17.60967476     10.58346225     -9.84146231
  O     19.00692366      9.24345187     -9.96838722
  H     13.82554970     10.39510647    -14.10633948
  H     15.85637180      8.02949551    -18.12690150
  O     14.49647003      4.96917737    -13.58628337
  H     18.04978065      8.42125781    -17.64972642
  H     16.30409738      8.41743128    -19.55483570
  O     19.09746205      9.61896207    -12.70606582
  H     18.64293160      7.34712370    -16.70103683
  H     14.55245465      7.49569962    -11.71469478
  O     16.85967937     11.16682646    -10.01040076
  H     17.60209631      8.03215698     -9.47985497
  H     13.09292781      7.60047341    -12.22125111
  O     16.37765938      8.67184163    -18.63819751
  H     16.09674383      8.15809862     -9.18240007
  H     13.86675930     10.80146566    -16.35076094
  O     13.77512938      8.07591520    -11.73087988
  H     19.61448719      9.29212792    -15.98586582
  H     12.47347318     11.39295890    -16.03813053
  O     13.07332498     10.69252491    -15.79572688
  H     20.84399152     10.19619821    -15.73204263
  H     15.43982543      7.59434838    -16.18284304
  O     15.03788267      7.05442285    -16.88356328
  H     17.49986162      5.28736309    -15.90140499
  H     15.24557636      6.13440557    -16.67829379
          69
 Energy    -250.73801799542667     
  O     17.28583647      8.43317079    -13.12777294
  H     16.67294045      9.14759425    -12.88965796
  H     14.09731350     10.65436548    -14.95643890
  O     13.20966116     12.38482645    -10.29412164
  H     18.02591262      8.52108176    -12.51405178
  H     17.68085838      7.63456530     -6.59448728
  O     17.34239863      9.31674865    -15.72103422
  H     13.91254933     12.89047621    -10.73989330
  H     16.80898550      7.33176154     -7.83688200
  O     12.01812859     10.87723730    -12.40288402
  H     12.75324415     12.99827726     -9.72411415
  H     14.06092558     10.79008920     -9.79896801
  O     15.54042240      6.45741208    -12.27310135
  H     17.90127525      8.80184725    -16.29841828
  H     14.23038907      9.21946522     -9.90330825
  O     19.12976869      9.11645253    -11.16894583
  H     17.37641331      8.89175742    -14.84731248
  H     19.21766388      7.43401265    -10.31343867
  O     19.72407590     11.55210716    -12.50243289
  H     12.31808799     11.43056997    -11.67282023
  H     18.67356326      7.02177459     -8.93351711
  O     17.37920599     10.06117902     -9.16531893
  H     12.59568369     11.08869129    -13.14929040
  H     17.37253765      4.02023186    -10.45593241
  O     11.64110422      8.20914042    -12.20384530
  H     16.03213020      5.81839565    -11.74334836
  H     17.80224629      5.49641907    -10.27536919
  O     14.45093288      9.26450291    -15.97028974
  H     16.18836875      7.09123000    -12.61222542
  H     16.37497673     11.19211394    -11.96955105
  O     13.60014774      7.33450816    -14.15981416
  H     19.47959426      9.89684426    -11.61617293
  H     15.28324191     10.25322312    -11.43261743
  O     14.05519647     11.32463220    -14.25777651
  H     18.51257544      9.43944109    -10.49519020
  H     17.71136265     11.06799266    -15.03539377
  O     17.61159651      7.79295453     -7.53193647
  H     20.53528922     12.00747437    -12.71092844
  H     17.21515429     12.44668797    -14.52064509
  O     14.68245888     10.05566596     -9.72047309
  H     19.13690416     11.65490552    -13.27391316
  H     14.98529003     12.79160229    -14.42719908
  O     19.00119761      6.66602853     -9.76960217
  H     16.41993891     10.05823059     -9.30687800
  H     15.37286388     14.16233906    -15.03035437
  O     17.04583537      4.91560646    -10.47355646
  H     17.54612833      9.38454847     -8.49814026
  H     14.37062028      7.21092717    -11.09621594
  O     15.75337566     10.50451940    -12.23790392
  H     11.72986758      9.17628133    -12.27833390
  H     12.92135150      7.73192355    -10.96491361
  O     17.97184363     11.84909819    -14.53212559
  H     10.71495960      8.00914115    -12.30928440
  H     18.36597286     12.16806560    -11.35922242
  O     15.62911087     13.52038543    -14.37288013
  H     14.15447932      8.52764664    -15.41322086
  H     17.55926309     11.64416796    -10.14136137
  O     13.73666387      7.58800446    -10.46780846
  H     15.41277650      9.22092230    -16.00220890
  H     16.09264654     13.38128051    -11.18638111
  O     17.54570317     12.28582260    -10.86484685
  H     12.88352447      7.60540594    -13.57462067
  H     15.35000181     13.78242369    -12.47265174
  O     15.24912223     13.72246536    -11.51567161
  H     14.23827574      6.88066161    -13.59609682
  H     14.77923853      6.79540537     -9.07084847
  O     15.51041509      6.41587218     -8.56837262
  H     14.62230302     11.00653496    -13.53826891
  H     15.93967937      5.78643460     -9.16187571
          69
 Energy    -250.73720450454567     
  O      0.77652620     -0.50647967      5.19210621
  H     -0.19356858     -0.55716092      5.16823366
  H     -2.74399545      2.87144296      0.25799758
  O      1.79850057     -0.80914233     -2.62092881
  H      1.04554468     -0.84504962      6.04318002
  H     -1.94947499     -0.20776779      3.99813638
  O     -0.50749774      0.07459323     -1.13868830
  H      0.96717297     -0.42529139     -2.31506876
  H     -2.18422550      0.53575487      5.33515930
  O      1.65795146     -3.46184591     -1.53932765
  H      1.73977526     -1.75239200     -2.42094814
  H      0.48542108      1.89121007      1.56508708
  O      3.17548325     -2.45379960      0.48127459
  H     -0.73418501     -0.85700887     -1.00375750
  H      0.02071041      2.44114649      2.95196374
  O     -3.93461141      2.61713485      3.46961926
  H      0.13703328      0.30429640     -0.45508830
  H     -1.94388976      1.13037999     -1.25702393
  O     -3.36056809     -3.79695013      2.54249209
  H      2.20962589     -3.17789372     -0.78840360
  H     -2.92041399      1.93200725     -2.14631199
  O      0.29948687      2.32722278      4.71331353
  H      2.02393493     -4.28341083     -1.85549016
  H     -1.27588779      0.82108637      2.13205321
  O      3.70316408      0.02743155     -0.86393762
  H      3.52288238     -1.63725786      0.10050238
  H     -2.51025440     -0.01737784      1.65583878
  O     -5.60949952      0.41699902      2.71470634
  H      2.75804078     -2.20432269      1.31568438
  H     -0.07095397     -3.03279931     -1.01764555
  O     -4.35962467     -1.58989992      4.05770374
  H     -4.56030505      1.92324904      3.23639350
  H     -0.81077428     -2.69594977      0.30382983
  O     -2.66147672      3.30446399      1.11370637
  H     -3.54655105      2.92929288      2.63869473
  H      0.81809195     -2.01883121      2.47567519
  O     -1.98296291     -0.33284531      4.96063226
  H     -3.66053012     -4.69853188      2.62065105
  H      1.48883152     -1.12874924      3.53681838
  O     -0.23620490      2.34064212      2.02356026
  H     -3.53006177     -3.52186252      1.62257901
  H     -2.96010713      2.49348336      4.86571849
  O     -2.76816519      1.64632954     -1.24914507
  H     -0.58154108      2.41998635      5.09981581
  H     -2.76693199      2.87108263      6.35353192
  O     -1.73685229     -0.02108692      2.23350135
  H      0.59395943      1.43512219      4.92937441
  H      2.31337908      0.55028372      0.26412386
  O     -0.88053453     -2.64724059     -0.66115003
  H      4.43522488      0.48732314     -1.26482372
  H      1.53414433     -0.09409615      1.44156842
  O      1.60998147     -1.48769905      2.64996421
  H      3.09588007     -0.22379237     -1.58304457
  H     -1.60123873     -3.12304756      2.38993689
  O     -2.40265841      2.33943270      5.65174540
  H     -6.54979632      0.38227419      2.86848011
  H     -1.13681771     -1.66536553      2.15010319
  O      1.49796718      0.60694955      0.77594066
  H     -5.21367310     -0.31583872      3.22037563
  H     -3.83387295     -1.92846658      0.12925642
  O     -0.84344798     -2.59167658      2.12020370
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  O     -3.62202090     -2.86636871      0.01480885
  H     -3.59202222     -1.25757251      4.54003728
  H     -4.62886005      0.16783030      1.15542762
  O     -3.96204509     -0.15317404      0.53453260
  H     -1.75539570      3.12242684      1.40507382
  H     -3.74085267      0.54390500     -0.09550519
          69
 Energy    -250.73653540101648     
  O      1.45707652      2.12063726      3.26419411
  H      2.01358078      1.33711442      3.34222852
  H      1.27279898     -4.25249456      1.49501148
  O      0.49931312      3.18766702      0.95966051
  H      0.73676008      2.01624100      3.90044642
  H     -0.40091165     -4.53912088      3.03006154
  O     -0.65374668     -2.16370958      5.02452460
  H      0.87520310      2.81369155      1.77648221
  H     -1.14502227     -3.67685237      4.06721183
  O      1.84257827     -2.90181442     -2.54927710
  H      0.92333315      4.03084073      0.82384198
  H     -3.94079001     -0.20820553      3.42838559
  O     -2.50302952     -1.49107073     -2.52047874
  H     -1.19649281     -1.65700890      5.63797885
  H     -3.90668602      1.18563342      4.07951644
  O      0.22925360     -0.72541932     -2.96727968
  H     -0.65896606     -1.64904929      4.20173468
  H     -0.83595105      0.31985801      3.36657693
  O     -3.19586516      2.90507856      3.68489856
  H      2.37004876     -3.06920517     -3.32481451
  H     -1.70946097     -0.62982093      2.48778532
  O     -3.23338623     -3.73192467      1.61259171
  H      1.29787448     -2.12343756     -2.75800730
  H      1.38418373     -3.29326505     -0.88123873
  O     -2.39461383      0.37750968     -0.44096836
  H     -3.10044597     -1.88404462     -3.15010468
  H      1.15397606     -2.45787069      0.41069489
  O      0.35119612      0.89213765     -0.65783043
  H     -2.22500469     -2.20137819     -1.91175635
  H      1.16872983     -2.47283984      4.71904442
  O     -3.35159346     -0.93618421      1.82581843
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  O      1.36893952     -4.65713924      2.37438583
  H      0.34578138     -0.06349126     -2.27284180
  H      0.53386746     -0.76378378      1.76217313
  O     -1.28041899     -4.32724466      3.36540884
  H     -2.93056617      2.85941718      2.74781813
  H      2.07328626     -0.67133145      1.77393840
  O     -4.04735295      0.25003544      4.27291623
  H     -3.63680298      3.74127369      3.80530713
  H     -1.64848357      2.17878008      4.41009260
  O     -0.81910682     -0.48492948      2.83412590
  H     -2.54574977     -3.97478265      2.25885161
  H     -1.24420289      1.04860639      5.38563404
  O      1.03071939     -3.33565665      0.01935297
  H     -3.94163241     -4.36176398      1.71593382
  H     -2.99191008     -0.15053058      5.60915330
  O      2.01842205     -2.58364906      4.27209143
  H     -1.44032955      0.53661250     -0.48215118
  H     -2.76141216     -0.20331742      7.13849380
  O      1.32199385     -0.87531697      1.20611007
  H     -2.59403163     -0.17409665     -1.20760365
  H      4.00766058     -0.26482671      3.47336445
  O     -0.90047518      1.64196650      4.70639540
  H      0.46348858      1.75247179     -0.23693955
  H      2.72389665     -1.08929213      3.71989847
  O     -2.31263353     -0.26211338      6.29962809
  H      0.77433991      0.25023035     -0.06849300
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  O     -1.70651733     -3.34576949     -0.74233674
  H     -3.37974228     -1.89324934      1.69801510
  H     -1.37107519      2.93745182      1.06782657
  O     -2.30806928      2.72352935      1.16036835
  H      1.83701549     -5.47859546      2.24784442
  H     -2.48313991      1.98789807      0.56102937
          69
 Energy    -250.73642224310282     
  O     -0.90882640      3.48262276      4.61484082
  H     -0.32131580      2.71645784      4.59494110
  H     -0.47437736      3.16975552      0.60159252
  O      0.88262328      0.67202675      1.62177109
  H     -1.05056599      3.72009773      3.68936734
  H     -3.42082382      3.97097979      6.48502811
  O     -2.14115581     -1.48541215      2.71335606
  H      0.75292545      1.40201470      1.00573170
  H     -2.47690730      3.44828892      5.37680838
  O     -4.19292811      1.72454574      0.30836905
  H      0.48334358     -0.09975283      1.20013929
  H     -1.90166384      2.68267614      2.22257291
  O     -3.23784822     -1.06741068     -2.40624119
  H     -2.25709838     -0.52207835      2.68438971
  H     -2.40763531      4.01466701      1.62263247
  O     -0.70237137     -1.32932027      0.40400614
  H     -3.03070180     -1.85213556      2.62823849
  H     -5.67690919      2.71870414      3.40211919
  O     -5.70820756     -1.05895640      4.87198131
  H     -3.37862930      1.49176773     -0.16090669
  H     -4.64159921      3.50810660      4.26254367
  O     -6.46970057      1.11144273      3.14591586
  H     -4.21625392      2.68044632      0.43357398
  H     -4.56658401      4.15748406      1.99814088
  O     -1.83215943      0.88271932     -0.88241877
  H     -2.78242245     -0.29778594     -2.04365328
  H     -4.62832741      5.19822911      0.85101140
  O     -6.00008016     -0.27326315      0.70154187
  H     -2.70837788     -1.83187832     -2.14472737
  H     -5.22834178     -1.49646116      1.82199496
  O     -4.27724994     -3.58127076      0.03962957
  H     -0.95219186     -2.05240206     -0.18317492
  H     -5.16911526     -1.94278648      3.29716325
  O      0.08564640      2.81813556     -0.11261231
  H     -1.17389846     -1.48326369      1.23759212
  H      0.80192860      0.99450050      3.34224066
  O     -3.37945178      3.38161861      5.73670133
  H     -4.96853462     -0.47432838      5.11650474
  H      1.65108081      1.12886352      4.62331240
  O     -1.60702662      3.54827138      1.89455273
  H     -6.08230251     -1.38500128      5.68603255
  H     -1.44090144     -1.13458871      4.45230140
  O     -5.17354169      3.54499106      3.46099217
  H     -6.35711869      0.39725364      3.78348313
  H     -0.52103044     -0.01980121      4.98286669
  O     -4.15934354      4.42552339      1.15149272
  H     -6.49995529      0.67955760      2.28320954
  H     -2.78672848      0.21738065      5.44672416
  O     -4.83471447     -2.15237580      2.41678289
  H     -1.46793081      0.11601271     -0.41489267
  H     -3.58502412      1.55639019      5.64981199
  O      0.75755884      1.19201115      4.29413402
  H     -1.16959901      1.57884712     -0.80626979
  H     -4.89023175     -1.47221182     -1.97731857
  O     -1.23636658     -0.61450504      5.24135968
  H     -6.07987180     -0.78213720     -0.11389654
  H     -6.29298854     -1.94997835     -2.42226048
  O     -3.65683876      0.63895996      5.36112994
  H     -5.39691549      0.45950340      0.50091596
  H     -2.70617582     -3.46495819     -0.71809160
  O     -5.75078915     -1.79440809     -1.65377843
  H     -4.46127049     -3.26645570      0.93374251
  H     -1.59970552     -4.13491325     -1.56704455
  O     -1.88588814     -3.29597419     -1.21637416
  H     -4.88377561     -3.09929853     -0.53687480
  H     -3.25588674      1.10860444      3.53273395
  O     -2.80071510      1.18231789      2.68511812
  H      0.58973810      3.54991600     -0.45796526
  H     -3.46202224      1.30319110      1.99110966
          69
 Energy    -250.73563456410636     
  O     18.08840975      8.71271272    -10.18150044
  H     18.21500339      9.26368342     -9.39856700
  H     16.33681467     11.64723071     -9.12823608
  O     14.03218251      7.87320851    -10.87045361
  H     17.30667143      9.01782823    -10.65933858
  H     16.50289882     11.17046390    -11.27239991
  O     20.18523837      3.77414544    -11.82921297
  H     14.34844375      8.11864004     -9.98099207
  H     17.81471972     11.94798169    -11.05275700
  O     22.00647695      7.63758772    -11.19535187
  H     13.07963984      7.88868970    -10.83220803
  H     18.68313059      9.61689195     -7.17627597
  O     14.99119236      8.71743163     -8.52003623
  H     19.28126773      4.11650756    -11.93308552
  H     17.71665564     10.67848358     -7.81888476
  O     18.94783056      6.87608114    -13.72675967
  H     20.13302453      2.82839678    -11.94259328
  H     19.26960718      8.93350263    -11.43416876
  O     22.73927104      9.18981378     -8.96746233
  H     22.40826193      8.15027856    -10.48283833
  H     19.54614406      8.39241512    -12.85289254
  O     16.75998864      7.02890347     -7.23104008
  H     21.30731237      8.19615844    -11.56319414
  H     21.86418128      6.41541681    -12.70282910
  O     21.17893660      7.29656244     -7.49519025
  H     15.29612337      9.61693907     -8.36556107
  H     21.17597203      5.05326119    -12.91425107
  O     19.08408827      8.22413812     -6.04849314
  H     15.56969872      8.12828066     -8.01280019
  H     17.81668629      5.36605572    -11.04994710
  O     18.18416680      6.07903558     -9.46107317
  H     19.85471478      6.54878822    -13.81214700
  H     16.84118594      5.25799663    -12.25045863
  O     16.06460242     11.39384107     -8.22730010
  H     18.51021993      6.27499248    -13.10650170
  H     15.25044723      9.03545217    -11.60388972
  O     16.89765262     11.89202901    -10.76160897
  H     22.09214444      9.91168434     -9.06752960
  H     16.24391054      9.15939313    -12.78895260
  O     18.57971822     10.25258970     -7.89637245
  H     23.55509991      9.58870694     -8.67743390
  H     16.50359072      8.35170405    -15.26681889
  O     19.82688729      9.06374924    -12.21946045
  H     17.17491077      6.51863570     -7.93958423
  H     17.47690815      7.73125972    -14.23976735
  O     21.47041872      5.84766776    -13.37771159
  H     17.49296469      7.38910773     -6.71904797
  H     20.08289026     10.88086753     -8.69868512
  O     17.74230758      5.05301631    -11.96413229
  H     21.12878452      6.55601355     -8.11175371
  H     20.50647489     11.44250577    -10.07009386
  O     16.01513561      9.53018254    -11.92796019
  H     21.75028308      7.95043687     -7.91652116
  H     14.86203313      6.60191680    -12.04261218
  O     16.61511036      8.17026859    -14.33698789
  H     19.31425920      8.18201920     -5.12431981
  H     15.61309018      6.77586908    -13.37322733
  O     20.85487431     11.09944585     -9.24019666
  H     19.83764716      7.85211507     -6.54156009
  H     19.98119060     12.30965288    -12.43898144
  O     15.33169429      6.11399658    -12.73093244
  H     18.12123955      7.01736525     -9.70078421
  H     19.72997702     10.84109136    -12.02982483
  O     19.62226626     11.76377080    -11.74340246
  H     19.12663051      5.87170024     -9.41947762
  H     21.29812550      6.25302088    -10.23092748
  O     20.91625352      5.53463026     -9.70456487
  H     15.58293086     12.13328893     -7.86671434
  H     20.77670561      4.80234174    -10.31615971
          69
 Energy    -250.73392388278489     
  O     13.39890731      3.95389473    -12.22965746
  H     12.74618791      3.24308773    -12.21452120
  H      9.92644242      9.78477604    -11.80836731
  O     13.99062183      4.66552995     -9.65366066
  H     12.95206294      4.70646386    -12.63921420
  H     10.46874486      5.05721891    -12.41641033
  O      8.02100675      6.34482794    -13.31762395
  H     13.92661168      4.36597224    -10.57314269
  H     10.15893521      3.56417041    -12.16817112
  O     14.90361588      7.28286185     -9.40165609
  H     13.11732029      5.03109188     -9.43457013
  H      8.66743422      6.91937070     -9.39989157
  O     11.55827725      6.60798368     -6.52517701
  H      8.47554071      5.57491716    -12.95309461
  H      7.93874150      8.09018995    -10.09233236
  O     11.24399656      2.06405653    -11.99736165
  H      8.67467378      6.79777925    -13.86543598
  H     11.83929493      6.62521338     -9.82838266
  O     13.47136428      2.74970605     -7.75261164
  H     14.71131150      6.33317631     -9.46776692
  H     10.73369288      5.62159419     -9.36229159
  O     11.78737503      6.16648992    -13.01424428
  H     15.83267102      7.38725132     -9.59310763
  H     12.02232363      2.04314796     -8.78161116
  O     10.67875458      9.55147119    -10.09360521
  H     11.60910863      6.36392467     -7.46247416
  H     10.48550812      2.15341423     -8.81252183
  O      7.05171045      8.31942923    -11.71910977
  H     10.81343559      7.22315725     -6.45534193
  H     14.01469240      8.13638775     -7.90736022
  O      9.18940815      3.04942578     -7.75903403
  H     11.17036592      1.19781460    -12.38839204
  H     12.91793835      7.85111463     -6.85457593
  O      9.41694498      9.66121457    -12.61927048
  H     11.25125080      1.93771682    -11.03131464
  H      8.96832877      4.40220191     -8.99308796
  O      9.76481217      4.44465320    -12.15513760
  H     13.78126121      3.40072813     -8.40342902
  H      9.18216541      4.82405557    -10.49390230
  O      8.55626554      7.88052937     -9.38054047
  H     14.24369261      2.28745583     -7.43642275
  H     12.02757831      8.54611903    -10.68877650
  O     11.63471416      5.92462919     -9.19626155
  H     11.30620262      6.70795919    -13.65181720
  H     13.43366536      7.85505311    -10.50145542
  O     11.24517764      1.82845116     -9.31072325
  H     12.12352579      6.77716520    -12.34142155
  H     11.38584007      4.80712489     -6.16417422
  O     13.45717069      8.55474354     -7.24291820
  H     10.97832914     10.00305621     -9.29469438
  H     12.08114451      3.50354450     -6.63238269
  O      9.01963654      5.15331584     -9.59774708
  H      9.96483458      8.95291306     -9.82655349
  H     12.30225387      9.84216208     -7.47860263
  O     12.60508364      7.83080869    -10.99347164
  H      6.12675751      8.46717729    -11.89639667
  H     11.81470203     11.27827824     -7.17097605
  O     11.27070890      3.84951429     -6.24062532
  H      7.32642044      7.56328878    -12.26861630
  H      9.93846342      8.56238620    -13.87433960
  O     11.57683524     10.47541585     -7.62626205
  H      9.88791995      3.35395194     -7.15052148
  H     10.19603498      8.29134932    -15.37588757
  O     10.13185459      7.86426962    -14.52607072
  H      8.52103544      2.63074914     -7.22346543
  H     10.14438056      9.28581809     -6.99063640
  O      9.58140411      8.52979801     -6.78536973
  H      8.54647763      9.35507011    -12.33439838
  H      9.09090416      8.33798098     -7.59512136
          69
 Energy    -250.73247506712423     
  O     11.73338516     11.05778625    -14.66489403
  H     12.35226830     11.78307152    -14.52378565
  H     18.45691979      8.60011689    -14.02576107
  O     15.66643273      6.74240750    -13.51897205
  H     12.05373813     10.56514946    -15.43389470
  H     16.82083947     12.32421071    -14.90810705
  O     17.14912085     10.75363247    -11.64450654
  H     16.45374658      7.12647513    -13.10804890
  H     15.93321941     11.79180931    -16.04683008
  O     12.67220241      6.62486620    -16.40565969
  H     15.00840874      6.61858252    -12.82190790
  H     14.99150391      8.33825755    -14.06807520
  O     14.37595681      8.70364161     -8.62318669
  H     17.64884780     11.17198385    -12.35602899
  H     13.90587669      9.15867263    -14.83788640
  O     13.69620334      6.69664074    -11.58186715
  H     16.21412227     10.93037800    -11.82905006
  H     11.10003299     10.00357776    -13.45353669
  O     14.52892151     11.10330919    -12.33987203
  H     12.07576600      6.01096250    -16.82600173
  H      9.85320990      9.50367206    -12.68622606
  O     15.68489973     10.07894959    -16.74476537
  H     12.40031953      6.68349378    -15.47141095
  H     17.39397335      7.99693293     -9.40453756
  O     14.89374625      6.08714032     -9.11120516
  H     13.78604794      9.00797321     -9.32618403
  H     16.69519103      6.63855005     -9.57690021
  O     17.46269201      7.93316248    -17.11699409
  H     15.20254398      9.19187355     -8.72421735
  H     12.51372564      6.68471695    -13.06474752
  O     15.51365663      6.28818373    -16.23245249
  H     13.46877036      7.61436340    -11.37348284
  H     11.48396796      7.73446958    -13.51608590
  O     18.63911940      9.14720873    -14.80117676
  H     14.06155791      6.31983175    -10.77227961
  H     19.21019925     12.15972234    -14.11460467
  O     16.01946233     12.51413403    -15.41027468
  H     14.59974635     10.42833818    -13.03712447
  H     18.49851181     10.80698468    -14.34884706
  O     14.68889584      9.23056080    -14.27941100
  H     14.21040369     11.90082256    -12.77746008
  H     17.53529918      8.97383095    -12.14161990
  O     10.78792576      9.35269441    -12.79892660
  H     15.50882149      9.83176657    -15.82295716
  H     17.81113064      7.60265676    -11.49131321
  O     17.50731110      7.11611786     -9.78368511
  H     16.33307235      9.43743041    -17.05817894
  H     17.08599845     10.23512836     -9.92952076
  O     11.96748173      6.95424369    -13.81353764
  H     14.67902869      5.51959628     -8.37591252
  H     17.46603278     10.40952731     -8.44401014
  O     18.38006095     11.70654022    -13.99146345
  H     14.67520922      6.99766132     -8.83901707
  H     13.48805475     10.01216460    -11.35430653
  O     17.77791337      8.06082723    -12.34396136
  H     16.77474697      7.29955094    -16.84307218
  H     12.10138062      9.34613871    -11.46212989
  O     16.96780884      9.85791530     -9.04249822
  H     17.96048782      7.51378621    -17.81328384
  H     14.52665763     12.92819984    -14.62601232
  O     12.92370784      9.33356344    -10.95686674
  H     14.56527162      6.34180945    -16.39357526
  H     13.53914978     14.02576324    -14.16521918
  O     13.70274548     13.08735624    -14.13038264
  H     15.61498133      6.29207264    -15.26890918
  H     13.81862256      9.64554133    -16.87973806
  O     12.94161769      9.41468574    -16.54547451
  H     18.28551184      8.68548589    -15.56970811
  H     12.82136393      8.46336090    -16.66188567
          69
 Energy    -250.73198217031717     
  O     13.15058028     12.80155555    -14.22074581
  H     12.81770424     12.07562340    -14.76180224
  H     16.66986654     10.78761199    -14.76305587
  O     17.88855025      7.40535465    -13.96188332
  H     13.68680741     13.33428168    -14.81918011
  H     14.63623144      8.78214115    -18.55186214
  O     18.78179111     11.93557594    -12.18795673
  H     17.28713201      6.66608863    -13.80788423
  H     15.48471541      8.94168053    -19.83574861
  O     16.91766819     14.38899639    -14.28933193
  H     17.76927658      7.64830984    -14.88624990
  H     15.31457753     11.05234436    -12.78402830
  O     15.89267556      5.38383868    -13.57162209
  H     18.55292292     11.01000915    -12.02620790
  H     16.47597366      9.99760186    -12.78341283
  O     16.31005763      8.40156799     -9.79843350
  H     18.05492380     12.47419618    -11.85407580
  H     13.58889894     10.86751422    -16.41850210
  O     14.85786891      6.48908271    -11.33658101
  H     17.69612166     13.89858394    -14.58124412
  H     13.05071473      9.95618862    -15.27630680
  O     14.35261940     12.22304385    -11.81282369
  H     16.24549946     14.28270402    -14.97267226
  H     17.44903929      8.91108857    -11.16573023
  O     13.25313852      8.21306250    -17.64915474
  H     15.50691985      5.74882673    -12.75494455
  H     17.98779142      8.58668354    -12.60626828
  O     16.98423110      8.34769224    -16.59304873
  H     16.04871016      4.45699643    -13.41203030
  H     11.60138931      8.01084365    -11.72183887
  O     14.78817715      6.87743333    -15.66990471
  H     16.51422775      8.33145242     -8.86975038
  H     12.86350745      8.38693984    -12.53412814
  O     17.17064081     10.90942758    -15.58495160
  H     15.55670756      9.01604425     -9.87554778
  H     16.82076668     14.60218845    -11.13883351
  O     15.46204993      9.15774596    -18.90758004
  H     14.00598941      6.93924191    -11.38835224
  H     16.70526063     14.08760960    -12.59361264
  O     15.77433099     10.39231156    -13.31843044
  H     15.41500358      7.04513468    -10.77853485
  H     19.11139245     12.39516335    -13.81770297
  O     12.78031438     10.54796072    -15.99462843
  H     15.07036676     12.85582099    -11.67823030
  H     20.07378187     12.83176319    -14.95100415
  O     17.88565631      9.28535892    -11.94143651
  H     13.84713492     12.49832168    -12.59335039
  H     15.89208798     11.33096818    -16.70741468
  O     12.54409450      8.13426212    -11.65020930
  H     13.62717641      7.60846391    -16.99380554
  H     15.23226914     10.82443263    -18.00522774
  O     16.63729650     13.82331353    -11.65794342
  H     12.87171115      8.94959853    -17.15565777
  H     14.14647514     10.80641357    -10.64602720
  O     19.15600735     12.67025386    -14.75264947
  H     17.14132964      9.22772973    -16.21904450
  H     13.48801052      9.40736373    -10.59132158
  O     15.15059620     11.49044414    -17.31338935
  H     16.62669999      8.51116488    -17.47401247
  H     14.52130696     14.65329264    -16.84176996
  O     14.14392601      9.96998605    -10.16149608
  H     15.09949805      6.23663932    -15.01820209
  H     14.93175524     13.17033589    -16.71354386
  O     14.84982547     14.00462142    -16.22335804
  H     15.57026569      7.35960169    -15.97783188
  H     14.02239191      8.07763548    -14.56949087
  O     13.68543742      8.80148880    -14.02526074
  H     17.92179381     11.47990901    -15.38783999
  H     14.44967439      9.33299349    -13.75431194
          69
 Energy    -250.73170857722576     
  O     12.26849296     13.85900929    -13.51594842
  H     11.51010022     14.42056616    -13.64610722
  H     13.00335694     10.24157004    -15.89817209
  O     19.13690081      7.48308605    -10.44826120
  H     11.93085612     12.95389385    -13.37683289
  H     15.07016477     10.04718036    -13.60746571
  O     17.47502151     11.45395321    -11.74959229
  H     19.59613057      7.72049312    -11.27377627
  H     14.99006806     11.59718009    -13.83230180
  O     14.65977139      6.86334732    -11.71863026
  H     19.80626691      7.17844507     -9.84130806
  H     14.99089092     10.97493271    -17.06449226
  O     17.35040140      5.91951821    -12.02437942
  H     17.38941422     12.39503213    -11.55991292
  H     13.85651612     11.37469482    -18.03739014
  O     14.50209530     12.99192736    -14.94453626
  H     16.69715989     11.22543142    -12.28559706
  H     15.53131559      8.96304725     -9.67862693
  O     17.37997087      8.41984092    -15.10179541
  H     13.92188013      6.26380425    -11.62729521
  H     14.39881560      8.57222586     -8.69582753
  O     17.14602693      9.40581510     -9.89400007
  H     14.60222718      7.48891782    -10.97944557
  H     19.89834824      7.36018097    -13.45115480
  O     16.64393920     10.50761787    -16.85187899
  H     17.89101503      6.40111008    -11.38489627
  H     19.93769268      8.88469256    -13.20333650
  O     18.73059213      6.09182487    -14.35095658
  H     16.44169725      6.21316377    -11.89441640
  H     16.12979357     13.72436266    -14.63573325
  O     18.61351290     12.29276787    -15.77567803
  H     13.69860221     13.35080225    -14.54625328
  H     17.00975697     14.11246566    -13.43073946
  O     12.59453007      9.75152098    -15.17535384
  H     14.25896538     12.50635821    -15.74312790
  H     16.97308032     14.89497513    -10.96369556
  O     15.25487718     10.90766277    -13.21075172
  H     17.88800723      9.07662416    -14.60393893
  H     15.79204128     14.01454523    -11.42988793
  O     14.06955226     11.28958827    -17.11222389
  H     17.83948677      7.57841598    -14.99429766
  H     13.86030471     12.76651960    -11.01886750
  O     14.59841991      8.67991297     -9.62179271
  H     17.85801500      8.77184984    -10.04061560
  H     13.46913427     13.87901770    -12.00230880
  O     20.24693302      8.03569134    -12.85702422
  H     17.31968411     10.16019367    -10.47314919
  H     18.53819429     10.74052860    -13.02981491
  O     17.03206217     13.96928968    -14.38332629
  H     17.30285469     11.15457702    -16.57217057
  H     18.97265471     11.00290341    -14.49368840
  O     16.74919383     14.16368651    -11.53276116
  H     16.86779212      9.69011026    -16.38948439
  H     11.86047523     10.72491341    -13.82355845
  O     14.08519787     13.66594706    -11.29154095
  H     18.93872556      5.22895701    -14.69764861
  H     12.09034532     11.05121117    -12.32150922
  O     18.96448610     10.33411257    -13.79755423
  H     18.20624400      5.95350241    -13.54091402
  H     13.79216724     10.17504764    -10.50166792
  O     11.57559371     11.30159954    -13.09874630
  H     18.07763375     12.92980397    -15.26866412
  H     14.13132993     10.90402279    -11.82074802
  O     13.52131549     10.90585776    -11.06558134
  H     19.23515599     12.80262869    -16.28792356
  H     14.75682643      7.79558009    -13.34296460
  O     14.79276268      8.33351558    -14.14237589
  H     13.27009966      9.12945809    -14.87467739
  H     15.68622748      8.26131384    -14.50777750
          69
 Energy    -250.73091492267616     
  O     14.34755458     12.67486276    -12.94908369
  H     15.29215683     12.64810508    -13.13158413
  H     11.87965862      8.61036325    -16.08530931
  O     13.89365914      7.13787668    -14.22116528
  H     13.89874370     12.47028176    -13.78287108
  H     17.78429041     10.28557504    -15.89924397
  O     18.13653957      7.47415903    -13.40834070
  H     14.26187498      8.02092466    -14.38348472
  H     17.19526899     11.50321685    -15.13253753
  O     18.85986442      8.79563831    -15.72857177
  H     13.58603647      7.12932823    -13.30655902
  H     15.65816747      9.93682712    -15.18682201
  O     10.97114072      9.94986930    -15.07231332
  H     17.47206916      6.91559130    -13.84156842
  H     14.24439014     10.29342538    -14.70039025
  O     16.20835195      6.86268337     -9.56306947
  H     18.37582243      7.03099591    -12.58459149
  H     13.58606280     11.86650649    -11.62607018
  O     13.15987968      7.29027443    -11.54448494
  H     18.70116139      8.33656962    -14.88744201
  H     12.73414509     11.99689482    -10.34170104
  O     16.67644788      9.66273625    -12.49025541
  H     19.76085677      8.60434760    -15.97842953
  H     17.17849450      4.86178962    -11.87114335
  O     14.51776153      8.51165440    -18.13880845
  H     11.16988237      9.75693469    -14.13791142
  H     16.37139700      4.77453090    -13.18215407
  O     14.34645329      4.93196707    -10.58766735
  H     10.02883640     10.08393924    -15.12972788
  H     12.07047112     10.16710291    -11.95938664
  O     16.80315246      7.16265607    -17.04231560
  H     15.53994322      6.19381120     -9.75803088
  H     11.98962535      8.64489497    -12.16569254
  O     12.45187951      7.93577573    -16.46928249
  H     15.77586585      7.71639128     -9.69282385
  H     15.38569666      6.21692762    -14.49697427
  O     17.08255921     10.94933927    -15.91577621
  H     13.76085418      7.93705405    -11.14738218
  H     16.48502651      6.15343630    -15.57860655
  O     14.95455286      9.64838868    -14.59143014
  H     13.42484371      6.42808381    -11.20105051
  H     17.65672730      6.43333485    -10.43503098
  O     13.14485953     11.35996399    -10.92051169
  H     15.97226933      9.66710553    -13.15949071
  H     19.08270180      5.83553730    -10.39263877
  O     16.41445773      4.43631358    -12.27704293
  H     17.25305578      8.92285935    -12.71801303
  H     15.63220798     11.32034366    -17.09618194
  O     11.63893391      9.48478661    -12.48721675
  H     13.76159756      8.29741917    -17.56405363
  H     14.64627872     10.36577112    -17.78497822
  O     16.27244730      5.87069296    -14.67781470
  H     14.28099875      8.21777579    -19.01554431
  H     14.29507279      9.96519169    -10.45266211
  O     18.39575637      6.12189239    -10.98838789
  H     15.03590020      4.69171023    -11.23247038
  H     15.57853844      9.38602967    -11.09128080
  O     14.74447787     11.27550228    -17.47513300
  H     14.00927571      4.11559708    -10.22897554
  H     17.85376090     12.70537094    -12.87919861
  O     14.89041121      9.20547927    -10.43404962
  H     16.06984824      7.66482339    -17.42005662
  H     17.11264495     11.34814422    -12.93648379
  O     17.19319794     12.21737064    -13.36482184
  H     17.48179896      7.79780408    -16.79205939
  H     12.33986326     11.19921175    -15.30782856
  O     13.16714621     11.69306847    -15.25650652
  H     12.84626480      7.47334573    -15.71677171
  H     13.61471977     11.63750750    -16.11532682
          69
 Energy    -250.72891277090542     
  O     -2.24784318      4.87905033      3.03292004
  H     -2.47622348      4.02247890      3.43078788
  H     -2.27086529     -2.16699287      2.01434001
  O     -2.76239394      2.34609179      3.96326292
  H     -2.77386860      5.53854090      3.47796605
  H      0.85218027      1.91495658      0.49360654
  O     -0.39529103     -1.17364150      4.45326741
  H     -2.32985848      1.99559054      4.75024461
  H      1.18734605      0.73246342      1.47801209
  O     -1.81918969     -3.01992314      0.51089476
  H     -2.34147380      1.88888560      3.21652598
  H     -4.65227737     -1.57785099      0.45083890
  O     -2.88023160     -0.08231269     -1.92115911
  H     -1.18292606     -1.37628410      3.92705812
  H     -3.49152798     -2.43421354     -0.09838461
  O     -5.01772484      1.65398275      2.29871872
  H     -0.64601690     -0.46140286      5.05341470
  H      0.56204071     -2.75926939      4.01620180
  O     -3.41149494      1.98109579     -0.02196804
  H     -1.22456152     -3.73421556      0.77015622
  H      1.86082476     -3.05490133      3.23464271
  O      0.78712535      3.72223342      0.23872632
  H     -1.28731100     -2.35984366      0.04142010
  H      0.43018788     -4.36359269      2.21069942
  O     -0.38917755     -1.05096501     -0.84920197
  H     -3.15914509     -0.15452044     -2.83054224
  H      0.25488242     -5.71924544      1.48307315
  O     -1.74318859      0.92870179      1.87891898
  H     -3.42488264     -0.70978787     -1.41167337
  H      1.21942318     -3.57087800      0.30469506
  O     -5.21792521     -1.05148167      2.21911746
  H     -4.63639630      1.89357272      1.44280699
  H      1.09115191     -2.23596912     -0.46118923
  O     -2.52066417     -1.59491357      2.75426343
  H     -4.39273068      1.95403110      2.97040348
  H     -1.02228334      1.26964300      6.87850793
  O      0.72908967      0.97124392      0.65919415
  H     -3.31969780      1.40153797     -0.78602242
  H     -0.28716436      1.61253207      5.55949862
  O     -4.21860375     -1.85430801     -0.36487673
  H     -2.81875490      1.60646664      0.65031510
  H      1.49140253      1.56853973      4.19541013
  O      1.05099548     -3.46117745      3.56858205
  H      1.24716218      4.28895500     -0.37463979
  H      0.95634005      3.02063470      4.20559624
  O      0.15621103     -4.77778430      1.37238173
  H     -0.15952147      3.94557534      0.17391035
  H      2.72275915     -2.33681548      1.33156541
  O      1.72623521     -2.81986059     -0.02946633
  H      0.03908914     -0.32062216     -0.37775017
  H      4.10075043     -2.34137546      2.03743224
  O     -1.07952158      1.17904599      5.93121580
  H     -1.14412984     -0.67413396     -1.31683088
  H      0.98055562     -0.36940131      3.50984812
  O      1.08591604      2.23727337      4.76020194
  H     -0.86004402      0.94280532      1.49147545
  H      2.34041890     -0.63017152      2.80710543
  O      3.17865623     -2.13916764      2.16930845
  H     -1.96025479      0.02179077      2.12964640
  H     -0.34038308      4.63417676      3.08441124
  O      1.71975766      0.06483508      3.05951295
  H     -5.21201121     -0.07900098      2.25935237
  H      0.76072901      4.16950248      2.11751015
  O      0.57827938      4.34234027      3.04822255
  H     -6.04876708     -1.33684115      2.58977773
  H     -2.06921519      4.58393538      1.16538406
  O     -1.85258906      4.29954988      0.26846496
  H     -3.47550405     -1.46290362      2.70171519
  H     -2.46692856      3.58523347      0.05432570
          69
 Energy    -250.72793151523638     
  O     14.21981408      9.66301237    -10.74748886
  H     14.85120718      9.97069888    -10.08481129
  H     13.04139101      8.30095631    -10.46660391
  O     13.68173197     10.65124446    -16.64433448
  H     14.15654569     10.31772786    -11.45593536
  H     18.37531950      7.55280321    -14.63750256
  O     16.85051678     10.84170309    -13.55737524
  H     13.65648534     11.51389602    -16.21189861
  H     19.61123990      6.63407758    -14.62551702
  O     13.54307238      5.32031604    -13.73395489
  H     13.27749242     10.03444993    -16.02084069
  H     14.95975751     13.00932320    -15.35825175
  O     16.46355007      7.36236373     -8.62411472
  H     17.28731892     10.90638671    -12.69630767
  H     13.76241936     13.98202399    -15.22781603
  O     16.61502231     12.56833387    -15.74167290
  H     15.89935190     10.86877718    -13.39239600
  H     13.71547217      8.42114789    -14.63873597
  O     15.85895111      7.78402459    -12.02557974
  H     14.11671011      5.89017080    -14.26324985
  H     12.30167697      8.41042433    -14.01983175
  O     14.07204920     11.08294473    -13.11751746
  H     14.07465326      5.06722167    -12.96719860
  H     15.30761447     10.37553729    -17.24973150
  O     18.66123582      8.12412217    -11.59500263
  H     17.20292675      6.84755033     -8.96785903
  H     16.25037110     10.28489132    -18.47091544
  O     17.96137468     10.74373838    -11.05913648
  H     15.67964875      6.80617300     -8.71181419
  H     10.66973583      6.60369150    -13.20384931
  O     17.96894431      4.80208887    -12.16899862
  H     16.86260622     12.07970600    -14.94292517
  H     12.19030630      6.32981998    -13.28239161
  O     12.56144194      7.46399386    -10.39133865
  H     16.62211919     11.91603642    -16.45186687
  H     13.62691862      5.30736160     -8.34682965
  O     18.84301573      6.88089928    -14.11498024
  H     15.30012767      8.41981157    -11.56161843
  H     13.52030724      6.34751227     -9.48743709
  O     14.01599910     13.06929746    -15.12374171
  H     16.77885133      7.99152782    -11.82504820
  H     14.88830172      5.10316069    -10.64119035
  O     12.92423085      8.96534493    -14.50281158
  H     13.96771899     11.86299282    -13.67538631
  H     15.47065645      6.06935509    -11.68018709
  O     16.24172104     10.30801054    -17.51775171
  H     13.61935374     10.35636615    -13.57166070
  H     18.44533987      5.45306841    -10.61124638
  O     11.52254383      6.99039230    -13.02279095
  H     18.85967513      7.72115096    -12.45002428
  H     19.35255348      5.46666682     -9.35742935
  O     14.13292557      5.74579165     -9.02515835
  H     18.78810450      7.44385651    -10.92155079
  H     15.91932428      7.83719694    -15.12231270
  O     15.27616090      5.13118035    -11.52318081
  H     18.36839971      9.87708857    -11.20610107
  H     15.40116619      7.52863053    -13.71323311
  O     18.67272558      5.95836656     -9.81031253
  H     17.41448803     10.63614785    -10.27280426
  H     16.34857858      9.10070091     -8.74186260
  O     15.18930981      7.41847145    -14.65441755
  H     18.12683767      5.38496114    -12.91906604
  H     16.25788412     10.44881638     -7.98931492
  O     16.23984191     10.06174988     -8.86051370
  H     17.00984214      4.75748064    -12.04117031
  H     17.15317660      9.30130110    -16.23893716
  O     17.44371030      8.88425492    -15.41839820
  H     12.14726614      7.31213481    -11.24823811
  H     17.29359224      9.53835788    -14.71715428
          69
 Energy    -250.72725610054735     
  O     11.19065270      9.91448497    -15.00149779
  H     10.69305067     10.66470389    -15.31896016
  H     14.25547048      5.11880252    -15.88161920
  O     12.51801726      5.45334116    -16.57872017
  H     11.83965630     10.26012531    -14.36615220
  H     16.61004275      8.94936250    -10.86470703
  O     14.67245387      6.52554256    -11.14911995
  H     12.09778213      5.06899221    -17.34311880
  H     16.17413291      7.48248991    -11.09348081
  O     18.91018627      6.28513559    -11.97341343
  H     12.52483288      6.41879658    -16.71374089
  H     14.14942996      7.84211176    -14.07836597
  O     10.11656374      8.05462929    -13.03590573
  H     13.96414254      6.26248766    -10.55039752
  H     13.31360049      8.73584840    -13.13478024
  O     12.69082264      8.15207498    -16.71834117
  H     14.25709180      7.03103933    -11.86635165
  H     12.29601241      5.00665460    -10.58351939
  O     15.73352923     10.52342936    -10.64947252
  H     19.18985554      6.67695102    -12.80894194
  H     12.09974236      5.18580036     -9.05989962
  O     19.27684328      7.28846932    -14.66796864
  H     18.30753195      6.92353797    -11.56747346
  H     10.90630991      8.20680064    -11.39819481
  O     11.65916870      5.88265032    -13.92150925
  H     10.43610165      7.20280643    -13.36320327
  H     11.66245162      7.38366532    -10.31858356
  O     17.92602841      3.84376094    -12.63447343
  H     10.35010019      8.69042744    -13.72134682
  H     15.04093937      5.08721593    -12.20551804
  O     17.92973589      5.00958358    -15.25026982
  H     13.60513689      8.25740269    -16.42000103
  H     16.07361733      4.04749110    -12.70339554
  O     15.12326661      5.18219547    -15.46562887
  H     12.15231581      8.73725174    -16.17264272
  H     13.34586543      3.87728891    -12.28931040
  O     16.91673575      8.09472518    -11.19914592
  H     15.79204682     10.93977491    -11.51705492
  H     12.03597253      4.56811588    -12.69806796
  O     13.58772154      7.82577732    -13.29238179
  H     14.79109822     10.48154309    -10.44408667
  H     12.36745094      9.68993245    -10.38836883
  O     12.33550356      5.65357176     -9.85631066
  H     20.07562517      7.33968902    -15.18548786
  H     12.45144801     11.08190963     -9.72047437
  O     11.44136778      8.27944206    -10.59448442
  H     18.80618385      6.48506017    -14.95575542
  H     15.31728585      6.98343419    -15.56106697
  O     15.15901445      4.33778905    -12.80724713
  H     12.30658086      6.56518623    -13.68731036
  H     15.96676754      8.29698930    -15.01948485
  O     12.43011771      4.00741081    -12.01384817
  H     11.83449805      5.64587255    -14.83952770
  H     13.99212443     10.89068177    -13.32257917
  O     12.87447566     10.52302543    -10.36675192
  H     18.45227702      3.15173672    -12.24343558
  H     12.94678675     10.69421582    -12.18537676
  O     15.22359577      7.94737352    -15.52656833
  H     18.28848523      4.68904415    -12.31300936
  H     16.34622685     10.49850379    -13.66008101
  O     13.08460745     10.61495272    -13.13933672
  H     17.98096193      4.48432643    -14.44155807
  H     16.24773057     12.02822245    -13.84668136
  O     15.80405980     11.27881188    -13.45694522
  H     16.99610849      5.01576638    -15.49733511
  H     17.98520122      8.49031906    -14.18074378
  O     17.20611455      8.94021454    -13.82974512
  H     15.03884919      4.86304962    -14.55468843
  H     17.08068351      8.61318930    -12.92604406
          69
 Energy    -250.72651679477289     
  O     -5.45499346      3.17821261     -0.39806578
  H     -4.48911436      3.15871820     -0.35310189
  H     -6.18013735      0.31695600      3.83162458
  O     -3.96437645      1.85372606     -4.38405839
  H     -5.76215890      3.56629154      0.43108761
  H     -0.57530217      0.19383244      5.91201516
  O     -6.14519014      4.03191162      2.17754497
  H     -4.73355825      2.25871540     -3.94309770
  H     -1.09371684     -0.41233234      4.58365164
  O     -4.08508009     -2.13828042      3.11421011
  H     -3.87547745      2.28174449     -5.23117171
  H     -0.26159730      1.47481953      3.64435256
  O     -4.81327381     -1.31187612      0.52204512
  H     -6.61350774      4.79322041      2.50891081
  H     -0.05151211      1.10859170      2.16863311
  O     -5.17463473     -0.68220580     -3.75407437
  H     -5.24748370      4.06625824      2.55605982
  H     -2.90198241      2.09581931      0.43186837
  O     -6.65747427      0.65308536     -0.12518390
  H     -4.66050566     -1.57305275      3.64248351
  H     -2.13516134      3.43289630      0.38975636
  O     -3.21945865     -1.29614854     -1.78392878
  H     -4.39220218     -2.03596316      2.20385385
  H     -1.50423618     -0.00791753      1.20480629
  O     -2.19668559      1.25365670     -2.30339539
  H     -4.29724900     -1.44360210     -0.28392922
  H     -0.42197898     -0.52740753      0.21597780
  O     -1.35769028     -1.72680373      3.52123251
  H     -5.53390946     -0.70644975      0.29763122
  H     -8.27429069     -0.13021510     -3.19550737
  O     -0.31524031     -0.69082616     -1.65123911
  H     -4.72409898      0.09621357     -4.10521515
  H     -6.72775000     -0.15052716     -3.13414334
  O     -5.69195504     -0.18893188      4.50652902
  H     -4.55312817     -1.09312506     -3.14065123
  H     -4.17566062      0.84775244      4.42024792
  O     -0.99842019      0.41776237      5.08853215
  H     -6.19581894      1.49769133     -0.22771445
  H     -2.63301473      1.07327084      4.59145853
  O     -0.02928043      1.85106832      2.78757738
  H     -7.08142441      0.46877336     -0.97188867
  H     -6.70454674      2.23993440      2.54461121
  O     -2.70797889      2.86227542     -0.13474053
  H     -2.34445418     -1.68734211     -1.73081114
  H     -6.97437622      0.98326618      1.69854608
  O     -0.60347005     -0.36241760      1.14754291
  H     -3.04069274     -0.35028677     -1.90196332
  H     -3.75761859      0.00870907      1.22494817
  O     -7.52443264      0.27087006     -2.76487617
  H     -2.32669380      1.90066991     -1.59548613
  H     -3.25087112      0.92751069      2.38651899
  O     -3.43128281      1.40587338      4.16100367
  H     -2.72304925      1.53291343     -3.06289636
  H     -0.71777610      3.33005394      2.18045276
  O     -6.91516454      1.30060965      2.60851154
  H     -1.00779334     -1.44950146      2.66537319
  H     -0.49917435      4.82883062      1.87317523
  O     -3.14672963      0.72127466      1.44894024
  H     -2.29090530     -1.94959499      3.38591369
  H     -5.95236419      3.05093880     -2.16780880
  O     -1.14400930      4.12884308      1.82002577
  H     -0.84933236      0.05967979     -1.95994822
  H     -6.75445007      2.03320245     -3.00850412
  O     -6.14043098      2.77443960     -3.07566865
  H      0.44261199     -0.73845655     -2.22878788
  H     -3.57916246      3.12996211      3.63869920
  O     -3.65980736      3.99235576      3.20525069
  H     -6.31358209     -0.39181674      5.20013767
  H     -2.81918634      4.14448000      2.76018486
          69
 Energy    -250.72590728635862     
  O     14.96777280      3.02780909    -10.55712403
  H     14.69316804      3.54509608     -9.78980156
  H     17.44557389      7.16398378    -15.39385968
  O     19.16218843      7.66367536    -12.12829435
  H     14.22162571      2.99483514    -11.16631121
  H     12.96311522      7.78113803    -13.40483632
  O     13.93306248      8.75356760    -12.21916414
  H     18.80113541      7.41520978    -12.98697881
  H     12.47903745      7.51334860    -14.84772398
  O     12.82270153      8.25002462    -16.51528827
  H     19.07130649      6.88857947    -11.55394776
  H     14.08071587      5.97530029    -11.48693037
  O     17.94479843      9.92887137    -11.35812047
  H     13.62116569      9.11859195    -11.38297828
  H     15.44549943      5.82109508    -12.23137898
  O     16.34177877      6.36485762     -9.16676326
  H     14.41681810      7.94473893    -11.98119802
  H     16.57218944      3.09240086    -11.23482830
  O     18.65438740      5.49318128    -10.50403049
  H     13.65778672      8.73725468    -16.39144893
  H     17.82994791      2.31513320    -11.69316627
  O     14.40248456      5.92936040    -17.08429232
  H     12.27256906      8.78487316    -17.08099290
  H     13.09722610     10.10358642     -9.02519229
  O     14.26953809      4.63409143     -8.27731104
  H     18.43770412      9.11707341    -11.58101928
  H     14.38504320      9.33355391     -9.40655065
  O     15.25715294      9.39958787    -16.19879942
  H     18.59547819     10.60594529    -11.19264793
  H     12.28461225      6.32928380     -9.90867486
  O     16.82211461      7.18279348    -17.14246799
  H     15.91137238      6.39649563    -10.03661287
  H     12.84890326      7.56208140     -9.16380478
  O     17.56320885      7.19349152    -14.43620244
  H     15.79264729      5.76900226     -8.64641828
  H     16.83018610      9.79265767    -12.85473626
  O     12.51976997      7.12638207    -13.96456665
  H     17.95254414      5.79115810     -9.90966553
  H     15.37552705      9.34752827    -13.11849316
  O     14.97449808      6.33267663    -11.56168100
  H     18.34055619      4.66123307    -10.87515225
  H     16.72733231      9.43898991     -9.97935867
  O     17.43056358      3.18076621    -11.68726404
  H     14.19586483      5.33487610    -16.35322658
  H     16.29007139      8.22055291     -9.12835877
  O     13.41829490      9.36420434     -9.53393581
  H     13.77441941      6.65959955    -17.01264341
  H     12.25439391      4.69205569    -11.86786513
  O     12.60463437      6.63643863     -9.04888134
  H     13.65200457      5.35519243     -8.49524031
  H     12.09048632      6.13409550    -12.42602104
  O     16.22423619      9.51446387    -13.55285733
  H     14.00591158      4.29801845     -7.42476200
  H     16.86090875      5.65848137    -13.84666795
  O     16.09484925      9.14986321     -9.31128107
  H     15.60952556      9.59513632    -15.32062595
  H     16.83247405      4.31474476    -13.01306121
  O     12.19589096      5.62130152    -11.61318807
  H     15.87262810      8.77310181    -16.59906234
  H     13.19140466      3.52816173    -13.34946562
  O     16.30759354      4.92237078    -13.54856387
  H     15.99850973      6.66367826    -17.15896698
  H     12.37506414      2.30738796    -12.86518743
  O     12.86799438      3.06427090    -12.55825682
  H     17.26465294      7.02528506    -17.97203364
  H     14.72833924      4.72569666    -14.28547582
  O     13.80473759      4.67732734    -14.58171528
  H     17.08122977      7.97274215    -14.12364039
  H     13.38944729      5.52623388    -14.37188593
          69
 Energy    -250.72452621335492     
  O     14.34238718      9.75064135    -10.42375014
  H     13.70723337     10.34805259    -10.83563168
  H     15.25467177      6.59969974    -16.92824726
  O     13.88220119      5.95016612    -12.86093236
  H     15.13816499      9.77954519    -10.97592910
  H     14.93233037     10.78618297    -15.49155147
  O     18.05749379      7.48417381    -11.56950308
  H     14.75810518      5.61360718    -12.62557841
  H     15.95799515      9.95381222    -16.28649375
  O     16.20788221      8.06554099    -16.47017517
  H     13.50367357      6.37393576    -12.07884345
  H     14.40114606      8.88485679    -14.14276090
  O     11.25966213      8.42828958    -14.98556630
  H     18.12817997      7.32662057    -10.61997833
  H     14.62290327      7.41594191    -13.63203254
  O     15.46002167      8.25031610     -8.29023604
  H     17.50016406      8.26951703    -11.67299487
  H     11.88050938     11.91481578    -11.73393671
  O     12.88424302      7.36652033    -10.70819382
  H     17.10973670      7.72013426    -16.43665061
  H     11.82078111     10.38770927    -11.99069789
  O     16.46530740      9.66408607    -12.15485394
  H     15.87632153      8.07069617    -15.55679833
  H     16.22515666      4.83498396    -10.56118587
  O     18.70761151      6.85669541    -16.08691364
  H     10.48574326      8.42841122    -15.54251450
  H     16.79148683      5.48570768     -9.28549730
  O     13.82876265      5.89543163     -8.53710222
  H     11.70598799      7.57410151    -15.12831699
  H     11.50697871      8.22204062    -11.65667762
  O     16.86827949      4.90501384    -15.06500020
  H     15.07366446      8.88303964     -8.90904021
  H     11.01506773      8.59729920    -13.08406428
  O     14.81255392      5.73649955    -16.98364328
  H     14.83801983      7.51380571     -8.23730706
  H     18.94730908      8.06439626    -13.11658557
  O     15.82356105     10.81178000    -15.86174310
  H     13.06836632      6.81990263     -9.93379525
  H     18.83814815      9.32314540    -14.01727775
  O     15.06696297      8.20538100    -13.96485684
  H     13.41793519      8.16850586    -10.61401886
  H     16.67924701      5.01946393    -13.28288941
  O     12.41584936     11.16020562    -11.96436878
  H     15.99205353      9.10668122    -12.79503514
  H     17.06710854      6.01385021    -12.15103831
  O     16.10330154      4.88863616     -9.60373821
  H     16.98522169     10.28491065    -12.67834355
  H     18.42213837      7.11872509     -8.05602249
  O     10.99812735      8.87273612    -12.15945255
  H     18.94935476      7.40596904    -15.31889381
  H     17.03247441      7.53953288     -8.59112341
  O     19.20794886      8.43374550    -13.97093091
  H     19.51160922      6.69430979    -16.57210952
  H     12.94570409      5.88678689    -14.41457799
  O     16.51057828      5.25095239    -12.35767823
  H     13.45959447      5.28959140     -7.90078500
  H     13.26128312      5.91983440    -15.92309227
  O     17.84006569      7.03922937     -8.80678250
  H     14.60589829      5.45571319     -8.92808553
  H     18.35626035     11.86297509    -14.23154298
  O     12.56414023      6.09420143    -15.28020223
  H     17.56251114      5.48389617    -15.40425636
  H     17.18555225     11.00268234    -14.76005049
  O     17.91084215     11.02863014    -14.11128471
  H     16.12360704      5.01543833    -15.66599214
  H     13.07489906     10.70000311    -13.68903932
  O     13.31750092     10.28290561    -14.52540667
  H     14.85151970      5.46653482    -17.89810576
  H     12.56741254      9.73244214    -14.79119561
          69
 Energy    -250.72262469053118     
  O     -2.45311627     -0.83272267     -0.29544638
  H     -3.05745016     -0.52713793     -0.98802617
  H      0.77097405     -0.27805929      0.86094916
  O     -1.92898679      1.78528000      0.59412592
  H     -1.65402709     -1.13767567     -0.74149891
  H     -2.70524647     -2.13689785      2.51001288
  O     -1.50793179     -1.16920112      3.59227482
  H     -2.52921174      2.26327412      0.00732298
  H     -2.92687159     -2.05025329      0.99244603
  O      3.21466329     -2.67854856      1.38796128
  H     -2.07149449      0.84491047      0.42069505
  H      2.18457544     -1.02465829      4.15813703
  O     -0.11522921     -1.59464026     -1.74762415
  H     -1.29592758     -0.48523110      4.23657843
  H      1.22894042      0.18186463      4.48181920
  O     -1.23308580     -0.02193063     -3.72687145
  H     -0.95585662     -0.97824681      2.81749320
  H      0.49263213     -2.39782974      0.92077822
  O     -3.79364355      0.29326052     -2.41859176
  H      2.41532409     -3.00893833      0.95716994
  H     -0.00931763     -3.85757841      0.78568446
  O     -1.03672965      2.72644025     -2.88353981
  H      3.06087410     -2.77600656      2.33516849
  H     -1.80952085     -5.59698930      1.56616970
  O      0.46458909      2.72526269     -0.49468900
  H      0.10021010     -2.35396652     -1.19170193
  H     -2.00914296     -4.06661073      1.68946810
  O      4.10590801     -0.32944267      0.35952257
  H      0.53337412     -0.91370160     -1.50464536
  H      0.11706665      3.01687763      2.64394475
  O      1.59616331      0.24806082     -0.74214158
  H     -0.84503406     -0.65209462     -3.09828147
  H     -1.18370026      2.28394019      2.24056614
  O      0.42526133     -0.70352283      1.65410529
  H     -1.06234058     -0.37061887     -4.59879208
  H      2.92949338     -3.38480962      4.82497713
  O     -3.00090486     -2.65099087      1.74705657
  H     -3.02563144      0.20254089     -2.99708452
  H      1.57310362     -3.17050252      4.11065389
  O      1.97329013     -0.10805253      3.93860606
  H     -3.81935272      1.22306694     -2.15954064
  H     -0.46886128     -4.13125983      3.27696733
  O      0.60689178     -3.21588467      0.41221707
  H     -0.99646179      1.81973076     -3.21241223
  H     -0.62864422     -2.77038509      3.97504813
  O     -1.34190823     -4.77812929      1.70218316
  H     -0.37393407      2.80098576     -2.18380625
  H     -0.50295775      1.55665467      4.37996817
  O     -0.65524098      2.56253950      3.00012293
  H     -0.35967021      2.38843429     -0.11041842
  H     -0.62839766      1.37346709      5.91359105
  O      2.49191495     -2.85009235      4.16815920
  H      0.92213115      3.19841592      0.21114728
  H      3.70642605      1.02971810      1.62205229
  O     -0.09288056     -3.57527446      3.96922816
  H      3.82771892     -1.18305979      0.73809888
  H      2.93367752      1.06883507      2.95307020
  O     -0.37569280      0.92402627      5.11238004
  H      4.95594589     -0.47454963     -0.04711295
  H     -2.56681808      2.98966416     -2.06711222
  O      3.32782843      1.63253517      2.27183615
  H      1.34506535      1.18128518     -0.71060218
  H     -3.83013829      3.80750757     -1.70120108
  O     -3.37346944      2.99071707     -1.52025025
  H      2.51221231      0.14952167     -0.45643354
  H      2.12523940      4.52964317      2.05602956
  O      1.69021521      3.71913879      1.80649435
  H      1.02853559     -0.47930427      2.37509534
  H      2.32209849      2.99606464      1.97385979
          69
 Energy    -250.72245423955971     
  O     12.07892162     10.38801477     -9.93842812
  H     12.48713218     10.82236992    -10.69674954
  H     16.89392222      6.04443177    -15.16142479
  O     12.98462742      7.02442499    -13.87797415
  H     11.30541272      9.92163307    -10.28088566
  H     13.76578013     13.28102537    -15.33760248
  O     18.02108942     10.55564373    -12.78662693
  H     13.25604974      6.48495218    -13.12190451
  H     14.33138236     11.84233678    -15.31340288
  O     11.46337642      9.22784826    -13.34634072
  H     13.18798901      6.56082875    -14.69935344
  H     14.50669076      8.04298962    -13.95355741
  O     17.47920431      6.36386135    -11.12427558
  H     18.12405304     10.65986301    -13.73837138
  H     15.41066290      9.00076109    -13.11473250
  O     13.88813652      5.79427679    -11.58708705
  H     18.48111829      9.73337879    -12.57009797
  H     13.15676377      8.71844358     -7.45962506
  O     15.59274390      9.99729096    -11.62328152
  H     11.94824806      8.41451544    -13.55303277
  H     12.85319008      9.21768294     -8.89274704
  O     13.67422048      8.78222127    -17.06435821
  H     10.86927595      9.02473048    -12.61457125
  H     16.89714643      7.94515148    -14.51408600
  O     16.06822300      4.34325673    -12.59597193
  H     17.06609517      5.63234811    -11.59757180
  H     18.35450875      7.68408129    -14.05077733
  O     15.50631557     10.60155831    -15.81226465
  H     16.76861426      6.81758474    -10.65078946
  H     12.33682446      6.21302100    -10.55380143
  O     13.85988510      6.16885114    -16.40026458
  H     14.56215104      5.17163947    -11.88617071
  H     12.18643871      7.16050525     -9.34566424
  O     16.26502851      5.31304360    -15.11902774
  H     14.35769881      6.49138249    -11.10415619
  H     18.18652994      9.31978555    -15.51797234
  O     13.62330223     12.41309496    -14.96886624
  H     14.83803889     10.54867360    -11.87185860
  H     19.05497370     10.35632763    -16.26618930
  O     15.32071399      8.55862665    -13.96901578
  H     16.41394649     10.37421500    -11.97216994
  H     20.08586226      7.78417033    -12.11332994
  O     13.20842528      8.47012225     -8.37840445
  H     12.89119525      9.25860545    -16.74998986
  H     18.60585208      7.38808278    -11.90820700
  O     17.78118379      7.69135092    -14.82905993
  H     14.40701987      9.38282164    -16.89255683
  H     12.23233736     11.17347394    -15.65719584
  O     11.68408582      6.67058691    -10.00958008
  H     16.28779001      3.41546047    -12.60749519
  H     11.47516139      9.98950266    -15.04499113
  O     18.29132364     10.26873938    -15.70171345
  H     16.13755986      4.65943956    -13.51435417
  H     15.40439228      8.56900441    -10.61639659
  O     19.20195455      7.96356646    -12.42172422
  H     16.46296496     10.64862444    -15.91811294
  H     14.65174096      7.94675902     -9.41431688
  O     11.73004979     10.38459982    -15.89003352
  H     15.34903365      9.90139555    -15.15863786
  H     13.35733525     11.76220852    -13.20917119
  O     15.25786362      7.73991188    -10.13529770
  H     13.43114503      5.65738039    -17.08138249
  H     12.63380113     10.48176551    -12.75425056
  O     13.22708713     11.18487257    -12.44782849
  H     13.81621258      7.10055429    -16.68439039
  H     10.58926118      7.86276209    -10.67056481
  O     10.07477122      8.62400847    -10.99416896
  H     15.48708459      5.58988994    -15.61870610
  H      9.16420865      8.46042614    -10.76497254
          69
 Energy    -250.72043277251521     
  O     19.16830419     12.06997294    -10.60784321
  H     19.04514282     11.46268046     -9.85520732
  H     17.46106061      9.91247400    -12.28803075
  O     18.57847044      6.38474602     -9.46737045
  H     18.90479931     12.93605957    -10.31022474
  H     21.73026136     10.27568907    -10.53173943
  O     19.66581486      3.66376580    -11.85449528
  H     18.88918175      6.97305976    -10.17425128
  H     20.93607973     11.47570230    -11.06970436
  O     20.46855634      5.94781974    -13.24988031
  H     19.33730664      5.83555551     -9.22631397
  H     18.54260205      6.68433462    -16.08611524
  O     21.26717352      8.81071670     -9.46685724
  H     19.65021350      2.71895863    -11.98493049
  H     19.00736810      7.72074590    -15.03368156
  O     17.23861700      4.73932661    -11.20028345
  H     18.75595084      3.93144915    -11.63812976
  H     20.61965799      4.35978546    -10.21725693
  O     22.86637526      7.15292612    -12.50831854
  H     20.22093627      5.10864115    -12.84020482
  H     21.60187317      5.35924204     -9.55303864
  O     14.26059915      7.13466973     -8.79731241
  H     19.86619113      6.11208960    -13.98537650
  H     13.39650162      5.84518596    -13.81790167
  O     23.00718414      6.59458690     -9.85660106
  H     20.70006230      8.53135192    -10.20329385
  H     14.74958090      6.27542519    -13.20705780
  O     19.57056241      7.95200047    -11.47143510
  H     21.92597886      8.11327657     -9.38139896
  H     15.15912669      8.88280605    -11.59900145
  O     18.92195643     10.21906564     -8.65297385
  H     16.31137134      4.63617575    -10.94165786
  H     16.31701629      8.07755667    -12.24175395
  O     18.32607379     10.25056535    -12.56146591
  H     17.65836105      5.29439959    -10.52564621
  H     16.86905988      5.88777109    -12.57964189
  O     21.72892251     10.94981337    -11.22506461
  H     22.12541817      6.64393599    -12.86487015
  H     17.21923025      6.62471507    -13.91593603
  O     18.59916932      6.84145139    -15.14757300
  H     22.77151029      8.04006423    -12.87512728
  H     23.00126687     10.26660940    -14.01890065
  O     20.81772432      4.81796482     -9.39311742
  H     15.12386856      7.57881903     -8.76894598
  H     22.12292825     10.21563200    -12.74917951
  O     13.80899885      6.13525395    -13.00828681
  H     13.89735731      7.18945947     -7.91678448
  H     17.35972043      7.59982118     -9.03436722
  O     16.11887374      8.86733540    -11.72053248
  H     23.91259470      6.43879011     -9.60130650
  H     16.58456192      8.59039716     -9.95203554
  O     16.54814548      6.52906084    -13.23006699
  H     23.01563548      6.79726878    -10.80940569
  H     13.55796282      7.99017720    -10.38766766
  O     22.33672481      9.74557504    -13.57502898
  H     19.19787964      8.72712267    -11.90761451
  H     13.39403203      7.64780180    -11.88098808
  O     16.74028414      8.34619111     -9.02757927
  H     19.92090248      7.35286909    -12.14161113
  H     19.20268312      9.70418278    -14.04616989
  O     13.45032836      8.38686427    -11.26170242
  H     18.17097539      9.61466811     -8.64561098
  H     20.66638623      9.35958118    -14.38671723
  O     19.75612867      9.21078397    -14.66918906
  H     19.72306748      9.68165601     -8.71127451
  H     14.45009739      5.57043163     -9.88712100
  O     14.58961996      4.88031773    -10.54796152
  H     18.57245839     10.95593543    -11.95045900
  H     14.17041478      5.20117196    -11.35582600
          69
 Energy    -250.72021982310258     
  O     14.22068722     12.81211281    -13.14245783
  H     15.17718760     12.78514662    -13.24401406
  H     12.08636061      8.54976186    -16.26646749
  O     14.10637546      7.16062824    -14.29816534
  H     13.84550409     12.55714215    -13.99847312
  H     17.93382699     10.33232465    -15.69999629
  O     18.10261777      7.87874933    -12.92778202
  H     14.89610332      6.60647540    -14.32852769
  H     17.28677040     11.56921808    -15.01014631
  O     18.94715578      8.81453072    -15.38981238
  H     14.41175498      8.06888091    -14.44977290
  H     15.77813879     10.01173648    -15.15837900
  O     11.08457726      9.91796718    -15.40689566
  H     18.26227590      7.34345797    -12.14014216
  H     14.31745619     10.34652902    -14.81261691
  O     15.84895782      7.14871094     -9.37809627
  H     17.51806187      8.59985605    -12.65127568
  H     13.36553445     12.04611747    -11.84581868
  O     12.98890612      7.36288838    -11.81122740
  H     19.86420149      8.60930886    -15.55630085
  H     12.39228808     12.23316888    -10.65919835
  O     16.35478193      9.90638611    -12.25124760
  H     18.73870921      8.46187722    -14.50901004
  H     16.33492844      4.87072780    -12.86200077
  O     14.84175183      8.47881496    -18.15456272
  H     10.14892539     10.02936523    -15.55296883
  H     16.99398665      5.03853693    -11.48280793
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  H     11.20418228      9.78009437    -14.44948196
  H     11.91504033     10.29602217    -12.22218440
  O     16.98965062      7.14823556    -16.79443517
  H     15.40312024      7.98465638     -9.56448101
  H     11.88502970      8.76420090    -12.39854515
  O     12.69383635      7.88023829    -16.60256779
  H     15.20670163      6.45846312     -9.58781088
  H     17.09879513      6.58281817    -13.85506720
  O     17.24380994     11.00222422    -15.79129899
  H     13.21233901      6.56584377    -11.31657107
  H     16.71713650      6.18973460    -15.29696941
  O     15.02966963      9.72338417    -14.62064615
  H     13.35532043      7.24470038    -12.70168784
  H     18.77785679      6.09239955     -9.93313354
  O     12.86811720     11.57235385    -11.15546560
  H     15.75901069      9.72452397    -11.51383164
  H     17.35907871      6.68267375    -10.11319192
  O     16.27040430      4.59198993    -11.93856584
  H     15.81863017      9.83409518    -13.05758346
  H     14.96026381     10.33628998    -17.83894575
  O     11.53804151      9.58993751    -12.75976273
  H     14.67491272      8.15620997    -19.03718858
  H     15.88442498     11.32119948    -17.10559719
  O     16.59789683      5.93558656    -14.36955162
  H     14.05272907      8.26007172    -17.62764233
  H     13.87361880     10.13889289    -10.51564165
  O     18.13629295      6.34211950    -10.59269901
  H     14.81494932      4.88755881    -11.01794901
  H     13.89279570      8.63838032    -10.89331663
  O     15.02985766     11.25610690    -17.55130145
  H     13.71245687      4.35896920    -10.06983153
  H     16.92549542     11.51779359    -12.78959025
  O     14.38320129      9.32514099    -10.41522261
  H     17.64765438      7.78889509    -16.50386818
  H     17.71123404     12.85021751    -12.75212576
  O     17.10223624     12.33908158    -13.27957247
  H     16.30060047      7.63953892    -17.25855399
  H     12.44772006     11.18601806    -15.59369399
  O     13.25736931     11.70069562    -15.49191648
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  H     13.77610157     11.63124573    -16.30868295
          69
 Energy    -250.71888752013825     
  O     11.02747168     10.34651928    -11.23367663
  H     11.86554595     10.70476473    -11.55707195
  H     17.25331995      5.68905773    -14.49563968
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  H     10.50517465     10.14165561    -12.01791007
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  H     13.08912620      8.43876310    -14.95469996
  H     14.71889387     12.03419925    -15.11136311
  O     12.22494577     10.00273553    -14.66733803
  H     14.42316592      7.83436646    -14.43112969
  H     16.52527740      7.59238005    -13.30774049
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  H     17.93873225      7.91197159    -10.42942713
  H     15.54225934      8.54080814    -12.54384608
  O     12.76965762      5.86219094    -13.07366705
  H     18.28332250      9.13192068    -11.30019702
  H     10.62369492      8.15966522     -8.96783373
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  H     12.67170833     10.32475026    -13.86897165
  H     11.08048748      8.91506476    -10.23904305
  O     16.17145350      9.72155493    -17.11722398
  H     11.31779485      9.78859091    -14.41714843
  H     18.26261970      6.39472549    -12.37171834
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  H     15.40278749      4.67245528    -11.55080617
  H     18.68211580      7.56775397    -13.28847035
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  H     15.99091617      9.16378272    -10.66227419
  H     20.04201160      9.82799638    -13.13110937
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  H     18.67831813      5.47591344     -9.97595444
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  O     18.19704734      6.73277201    -13.27527090
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  H     14.86958652      3.05660567    -13.42569307
  H     13.22590850     11.75675214    -17.20316254
  O     19.21471209      9.36676239    -13.02117238
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  O     13.52653650      6.95830126    -10.59588907
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  H      9.89958149      8.41376670    -13.20714891
  O      9.75109144      9.28880041    -13.60926901
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  H      8.82903732      9.32947671    -13.84731625
          69
 Energy    -250.71846489985253     
  O     -3.09238611     -0.48425731     -0.61007968
  H     -3.78804534     -1.14680916     -0.69783051
  H     -2.66057611     -7.45262291      0.98947199
  O     -2.75774449      0.19446153      6.85163208
  H     -3.23096683     -0.07896547      0.25528800
  H      2.55839464     -1.86902852      3.20079741
  O      1.12559335     -0.36714657      0.64204944
  H     -2.80856119      0.53360607      7.74110171
  H      3.83978699     -1.77308929      2.34175357
  O     -3.55729873      0.09654604      2.13927298
  H     -3.16745214     -0.69020436      6.86167546
  H     -0.98346969     -1.81367167      2.02615984
  O      1.82634947     -1.98460303      4.79895537
  H      0.49273769     -0.09062784      1.32048732
  H     -1.03190074     -2.43893111      0.62160896
  O     -3.83282690     -2.28327113      6.58158874
  H      1.79951851     -0.86730008      1.11565172
  H     -2.27749047     -3.71053939      2.23005814
  O     -0.74236587     -0.94825729      5.26862498
  H     -3.87226963      0.52365447      2.94920767
  H     -2.86742657     -5.14413050      2.21042851
  O      0.79993885     -4.68686188      4.74455038
  H     -3.95711587     -0.78264156      2.13794983
  H      0.35851860     -3.63962904      1.88940617
  O     -5.87539825     -1.72748030      4.66135196
  H      1.58846653     -2.90716677      4.94851934
  H      1.88868348     -3.50712362      2.02928939
  O     -0.65374735     -1.65959945     -1.01474394
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  H     -4.25619254     -3.14230246      2.39893426
  O     -0.02007440     -5.88213622      0.17964429
  H     -3.17180625     -2.84922208      6.16169847
  H     -5.06709279     -2.48459860      1.25214348
  O     -2.52169787     -6.50972156      0.99782601
  H     -4.56320347     -2.19797569      5.95549616
  H     -1.77942226      0.06985496      2.44857303
  O      2.90527488     -1.95734935      2.29484980
  H     -1.13632297     -1.82918920      5.19296836
  H     -0.77086518     -0.28680611      3.57925961
  O     -1.08846596     -2.65465604      1.56032917
  H     -1.31951023     -0.43941214      5.85056053
  H     -0.32249490     -4.19065735     -2.90787793
  O     -2.91384654     -4.29888543      2.67162788
  H      0.93469184     -4.60028641      3.78579230
  H     -0.58932100     -3.23353227     -1.72287634
  O      1.16711198     -4.14794848      2.06041435
  H      1.21114398     -5.50644850      5.00767626
  H     -2.42791835     -4.47787036     -1.45177984
  O     -4.88697574     -2.43528172      2.19941787
  H     -5.60228453     -1.99394614      3.76783842
  H     -3.13507349     -5.30613038     -0.36273774
  O     -0.84793372     -0.11997277      2.63076750
  H     -6.81592997     -1.87832106      4.71567904
  H     -5.06359089      0.03715869      4.71037441
  O     -0.64009603     -4.16305942     -2.00916919
  H      0.03764669     -1.15498779     -0.56037113
  H     -3.87885987      0.75783121      5.36967183
  O     -3.28157746     -4.62128318     -1.02546004
  H     -1.48189241     -1.15683690     -0.97252420
  H     -2.24269316     -3.87141636      4.30457401
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  H      0.52981324     -5.38528071      0.79868399
  H     -0.93154353     -4.02522076      5.10729847
  O     -1.78207683     -3.56933419      5.10001363
  H     -0.12104793     -5.32638939     -0.60418479
  H     -4.42180846     -3.34620559     -0.77001093
  O     -5.03389271     -2.60986537     -0.59025154
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  H     -5.73957459     -2.67618549     -1.22808048
          69
 Energy    -250.71722443841361     
  O     13.43165441     12.24077135    -16.12988684
  H     13.85511612     12.23215370    -15.26273042
  H     18.70605215      9.00295318    -12.10755636
  O     14.71152805      7.24420536    -13.10490153
  H     12.50899910     12.01350667    -15.95936123
  H     17.74365418      9.48037499    -16.17522414
  O     16.07639907     10.98957095    -11.45589187
  H     14.85364265      8.00367506    -13.69188525
  H     18.26197700      8.54379220    -15.03354697
  O     13.67973729      8.59714376    -17.06756114
  H     15.16732477      7.45985939    -12.28067482
  H     14.65480726      9.13139099    -15.58423029
  O     11.66624667     11.25036714     -9.94508034
  H     16.95240099     11.02012189    -11.85834584
  H     16.09125388      9.36659920    -14.99594948
  O     12.06327553      8.10047208    -12.85812482
  H     15.45871233     11.30299947    -12.13284024
  H      9.98926476     11.82863896    -15.22488873
  O     14.32922806     11.62093207    -13.49810118
  H     14.27815368      7.89249342    -17.34925394
  H     11.09794195     11.29052825    -14.29301339
  O     16.21750477      5.99357827    -15.14294515
  H     13.90060201      9.38308302    -17.58493217
  H     14.10332559      7.67084851     -7.94147569
  O     11.84433805      8.36498298    -10.06153218
  H     11.21469831     11.81233630     -9.32168182
  H     13.34461530      8.16336654     -9.19770627
  O     18.78071749      6.88740615    -14.33572858
  H     12.60645078     11.24460618     -9.68928085
  H     12.11123463      8.50142656    -16.07501823
  O     15.72118711      6.79481843    -17.67202663
  H     11.72624453      8.13406927    -13.76615941
  H     11.08782810      9.50592499    -15.52174583
  O     18.59317215      8.06445860    -11.91456700
  H     12.94266753      7.70219284    -12.90442293
  H     18.30561039     10.39269714    -13.76108157
  O     17.93327042      9.43177706    -15.22568360
  H     13.43831280     11.44047267    -13.16902240
  H     19.19998426     11.41947875    -13.03191697
  O     15.14843847      9.36743713    -14.78871051
  H     14.61651243     10.81703897    -13.96236683
  H     15.98722680      9.19030035    -11.07319657
  O     10.85097716     11.41920525    -15.22507940
  H     15.63601817      6.24916588    -14.41525764
  H     15.46553404      8.12172538    -10.07611647
  O     14.20306583      8.18570087     -8.73726482
  H     17.11469193      6.19492952    -14.84910759
  H     14.35010193     10.09778077     -8.95555149
  O     11.36039982      8.58268630    -15.47158953
  H     11.81608581      8.15680027    -11.00534648
  H     14.96594342     11.12211753     -9.93442809
  O     18.51260032     10.77310381    -12.89053723
  H     11.61387880      9.29846312     -9.98487477
  H     16.62875060      8.48187834    -17.84285596
  O     16.01448471      8.24599241    -10.85987701
  H     19.60916808      6.42308305    -14.41936152
  H     16.27159805      9.98126096    -17.95282171
  O     14.27910714     11.00967845     -9.26461753
  H     18.73510671      7.21935420    -13.42078684
  H     11.65050915     11.09347196    -11.76519346
  O     16.99803834      9.37177250    -17.77293751
  H     15.89333551      6.46750767    -16.77032097
  H     11.89365967      9.89986013    -12.73558462
  O     11.76534222     10.85987648    -12.69439418
  H     15.75982304      6.03806496    -18.25033312
  H     14.47867648     11.47506874    -18.99531925
  O     14.63858084     10.97594466    -18.19872148
  H     17.74753929      7.99342225    -11.45042632
  H     14.24871506     11.48806797    -17.46744865
          69
 Energy    -250.71652401361132     
  O     16.46885174      8.85062500    -15.14275352
  H     16.06024519      8.09995389    -15.56537208
  H     17.50994216     11.14814639    -16.80618575
  O     17.97685639     15.24857261    -16.52235104
  H     17.00905986      9.29404140    -15.82089519
  H     18.91230556     10.24625242     -9.71024655
  O     20.68577841     11.06583593    -16.73792103
  H     17.72776070     15.86648267    -17.20454119
  H     18.60107883     11.73625221     -9.50378835
  O     19.23612121     13.29380507    -10.31157408
  H     18.77577650     14.78706618    -16.83715129
  H     21.43871791     16.73094790    -12.36321000
  O     14.87136519     12.62432528    -12.10995132
  H     20.95176851     11.25894667    -15.82377650
  H     19.91848778     16.62190793    -12.62704596
  O     19.99447528      9.23084988    -11.05417428
  H     21.42624056     10.62399705    -17.14769832
  H     20.96354838     10.80780302    -11.26460561
  O     16.12309859     10.30574640    -10.94365838
  H     18.54641507     13.56197680    -10.93379172
  H     20.52812563     12.27786147    -11.08430856
  O     21.32643704     14.63613606    -14.66282647
  H     19.66025054     14.09492105     -9.98115034
  H     17.18267814      9.64545109    -12.14214696
  O     20.69466661     15.57285547     -9.62502242
  H     14.85909817     12.13751214    -12.95408325
  H     17.40961668      9.04836301    -13.57096445
  O     21.25878248     11.93065668    -14.18453419
  H     13.96933262     12.87031975    -11.92308464
  H     20.34466118     12.95552607    -17.15826506
  O     14.99828135     11.29814894    -14.47879196
  H     19.27406291      9.21156986    -11.70699851
  H     20.78026327     14.21662356    -16.38519634
  O     17.92738732     10.28498677    -16.93627665
  H     20.21570805      8.32237604    -10.86537961
  H     23.05910183     15.20443920    -12.21842989
  O     18.28714984     10.84710527     -9.28978644
  H     15.66392451     11.11382977    -11.19556035
  H     23.97508680     16.23731955    -12.92143447
  O     20.57246072     16.91583585    -11.97956694
  H     16.75990312     10.53945270    -10.25139618
  H     18.46054652     15.63749070    -14.72996415
  O     21.23765987     11.71775333    -11.43452633
  H     20.48011541     14.97024006    -14.33199491
  H     18.27459721     15.10926367    -13.28077198
  O     17.86193349      9.37823045    -12.78547769
  H     22.02229045     15.08880265    -14.17094298
  H     22.14591731     14.52427161    -10.34771417
  O     20.25303539     13.91435485    -17.13886331
  H     20.68763644     16.16929827     -8.88158729
  H     22.40796805     13.18661303    -11.07305924
  O     23.09202513     15.87918250    -12.92110112
  H     20.59649795     16.11661797    -10.42712361
  H     18.26838667     11.01126399    -13.46697900
  O     18.84735941     15.64714415    -13.84571621
  H     21.36708485     12.88030315    -14.34373477
  H     19.44812172     11.90136166    -13.95931586
  O     22.76813271     14.07076524    -10.93081665
  H     21.36700039     11.79043048    -13.23384710
  H     17.13881801     13.59835799    -16.17750814
  O     18.49383674     11.88043685    -13.82438638
  H     15.50311657     11.86621638    -15.07825795
  H     17.48945533     12.42587615    -15.22362365
  O     16.90274142     12.69346546    -15.94941386
  H     15.34545822     10.41075964    -14.61776118
  H     16.47236058     13.58086579    -12.16768431
  O     17.38881862     13.84908654    -12.30460431
  H     18.87635799     10.45230458    -16.90233033
  H     17.79660533     13.13917957    -12.82728467
          69
 Energy    -250.71652295559841     
  O     16.77962957      8.57151706    -15.22210493
  H     17.36398948      9.00580395    -15.86881526
  H     17.89572437     10.83605540    -16.88214361
  O     18.21870782     14.95721421    -16.72663965
  H     16.43150741      7.79225842    -15.64709593
  H     18.69923346     10.25107544     -9.66109278
  O     18.98717593     13.28220423    -10.35620162
  H     18.01243646     15.54035027    -17.45235123
  H     18.32878130     11.73715287     -9.54312971
  O     14.81661691     12.40521800    -12.49440055
  H     19.05487720     14.50982931    -16.95253642
  H     21.26129615     16.70714839    -12.34934702
  O     19.92296221      9.22020190    -10.86440706
  H     18.34692444     13.50425910    -11.04578912
  H     19.77356466     16.53962911    -12.73817681
  O     16.02763083     10.17412296    -11.13115286
  H     19.35786475     14.10848682    -10.02349182
  H     20.37008258     12.27930856    -10.97292038
  O     21.05453992     10.85811477    -16.53788498
  H     13.89507845     12.62923296    -12.39607049
  H     20.86133310     10.81810066    -11.05492815
  O     21.40961764     14.52357787    -14.56272130
  H     14.89193552     11.88637318    -13.31587267
  H     17.57368987      8.85920600    -13.58461688
  O     20.31474114     15.63119641     -9.64030678
  H     19.26308266      9.15297660    -11.57545352
  H     17.20609528      9.50283029    -12.20616314
  O     21.37782763     11.83753367    -13.98206521
  H     20.15260476      8.32714381    -10.62023245
  H     20.69740215     12.71850418    -17.06268392
  O     15.18746774     10.99429116    -14.78744214
  H     15.56926067     10.95688818    -11.45437217
  H     21.02783611     14.02145239    -16.30711780
  O     18.34738930      9.98234388    -16.94058432
  H     16.59471197     10.45436254    -10.39681536
  H     22.90575106     15.23980619    -12.00371148
  O     18.02289518     10.84724198     -9.32081856
  H     21.23416993     11.09436021    -15.61288270
  H     23.84972057     16.27378921    -12.66695566
  O     20.35998995     16.87879088    -12.04942659
  H     21.84030607     10.42506112    -16.86414724
  H     18.23666279     14.95134920    -13.46849872
  O     21.12313305     11.72919108    -11.23768261
  H     20.52850309     14.84283686    -14.31973003
  H     18.53309638     15.42953590    -14.91667560
  O     17.94620163      9.23309963    -12.77725990
  H     22.04676900     15.01670075    -14.03174367
  H     21.85277428     14.60271249    -10.19220210
  O     20.57712244     13.67395969    -17.09035280
  H     20.27140838     16.14054087    -10.46938627
  H     22.21508988     13.24740682    -10.83717307
  O     22.98053801     15.88794369    -12.72788476
  H     20.22591798     16.25504261     -8.92517648
  H     19.55600520     11.75903985    -13.91225909
  O     18.84093063     15.48528345    -14.00357699
  H     21.40671822     11.73721571    -13.02067081
  H     18.36371394     10.85112768    -13.48730076
  O     22.53612087     14.14740063    -10.70068722
  H     21.47243041     12.78339372    -14.16996181
  H     17.40131392     13.29534221    -16.38816243
  O     18.59457702     11.71282033    -13.85909080
  H     15.72622501     11.55490296    -15.36396165
  H     17.70083135     12.17196882    -15.36061433
  O     17.17226345     12.39270367    -16.14451788
  H     15.57057365     10.11377633    -14.85977424
  H     16.38856199     13.40963965    -12.45318087
  O     17.30541898     13.70166011    -12.52157570
  H     19.28462738     10.18109552    -16.83206588
  H     17.77737809     12.98574733    -12.97784857
          69
 Energy    -250.71596692599539     
  O     -5.47322989     -0.10036210     -1.67336815
  H     -5.28451274      0.79082915     -1.34811563
  H     -1.77536193     -2.64533557      3.61693732
  O     -3.52700635      2.38005430     -4.93796534
  H     -5.88291446     -0.58425834     -0.94494755
  H     -3.63191133      2.27985311      3.45182237
  O     -6.37671479     -1.44879927      0.62632968
  H     -4.10407291      1.61531032     -4.75887916
  H     -2.81950330      3.41663463      2.80468542
  O     -0.02267933     -0.73796677      1.79368129
  H     -3.88717802      2.82181959     -5.70243028
  H     -5.18814671      2.81291605      0.03138314
  O     -1.00407887     -0.55836761     -0.78238289
  H     -6.39985419     -0.69852170      1.24699411
  H     -3.96863751      1.88276400     -0.16840987
  O     -1.35549138      0.44742264     -5.04016472
  H     -7.17118002     -1.95452190      0.77653388
  H     -1.20498727      3.94680721      0.91441923
  O     -3.27607052     -1.84307345     -1.73305866
  H      0.38517506      0.12883586      1.89188121
  H     -0.43647840      2.96467169      1.85149424
  O     -0.51487120      1.42395969     -2.62669171
  H     -0.24532891     -0.81009317      0.85359827
  H     -2.86931341     -2.77027886     -4.80141509
  O     -2.71289020      3.23149062     -2.39467125
  H     -1.73312142     -1.07327874     -1.15224722
  H     -2.98343312     -1.97580458     -3.48164807
  O      1.11164584      1.93498577      1.74053116
  H     -0.73784863      0.08167022     -1.45650698
  H     -3.17064534     -0.43798407      3.33326963
  O      1.08494412      2.81940073     -0.82666801
  H     -1.82048644     -0.38788084     -4.90387097
  H     -3.32582535      0.63162858      2.24855858
  O     -2.10930153     -1.96632102      3.03677171
  H     -2.04124129      1.11684114     -5.15383331
  H     -3.26687030     -2.48006032      1.56334466
  O     -3.66584400      3.21930963      3.22698923
  H     -3.98543123     -1.18582015     -1.76105039
  H     -4.65335615     -2.31726085      0.88132969
  O     -4.67482754      2.35353581     -0.64330654
  H     -3.38453423     -2.31123521     -0.89114038
  H     -2.04302091      0.56572645      0.22241643
  O     -1.28950521      3.39446376      1.70239436
  H     -0.63680059      1.04257855     -3.50773526
  H     -2.11520892      1.92053556      1.00799740
  O     -2.92202589     -1.88598945     -4.44779297
  H     -1.26402338      2.01715872     -2.48601190
  H     -5.10199166      3.42775008      2.24200471
  O     -3.63083239      0.38523118      3.13613726
  H     -2.98576643      3.04806918     -3.30319737
  H     -6.44097187      4.14014135      1.93978137
  O     -3.78310147     -2.72437464      0.78691151
  H     -3.45182742      2.97897834     -1.82253901
  H     -4.35524347     -0.60897120     -4.54968096
  O     -2.63631951      1.17767958      0.67409110
  H      1.96261965      2.10076884      2.13858898
  H     -5.28278402      0.05115045     -3.50818593
  O     -5.88281519      3.42006288      1.65926666
  H      1.19010712      2.18475910      0.80191862
  H     -5.40998685      0.49473554      2.74101709
  O     -4.94655393      0.14099653     -4.41038897
  H      0.52354941      3.60341456     -0.83394887
  H     -6.30283968      1.56935362      2.09316379
  O     -6.27379608      0.63527209      2.32574863
  H      0.72147674      2.25338990     -1.52166578
  H     -1.65928743      4.28023422     -1.39079301
  O     -1.06395095      4.74460316     -0.77901468
  H     -1.33207807     -1.53839124      2.63471587
  H     -1.09017146      5.66725269     -1.02023874
          69
 Energy    -250.71588380442120     
  O      1.44653913     11.52045909      1.56811795
  H      0.93788552     11.51874720      2.38754552
  H     -1.47353626     10.29295210      2.81157617
  O     -0.58159369     14.89434209      0.65948228
  H      0.85129933     11.83527152      0.86587581
  H      5.02249108      8.09766885      0.24773779
  O     -2.71394628     12.02921697     -1.17623857
  H      0.26643019     15.33897558      0.76613562
  H      4.73755058      9.59999899      0.00829945
  O     -3.83615361     11.76282243      1.37511129
  H     -0.37345467     14.03776149      0.25411477
  H     -0.81007930      7.17707158      0.46505816
  O      3.58617529     13.50779457     -2.14041617
  H     -3.20323825     11.91847467     -0.35063728
  H      0.08040107      8.43603722      0.35598542
  O      5.30252085     11.25179162      0.04077977
  H     -2.48663177     11.14836167     -1.51203643
  H      2.96224159      9.45903760     -2.96681768
  O      5.50588092     11.60553465     -2.80122132
  H     -3.29116756     11.02374301      1.70231398
  H      4.09520924      9.00865857     -2.02182188
  O      1.66325542      9.19670196      0.11929594
  H     -4.72846180     11.60114430      1.66953314
  H     -0.91463353     14.90412356     -2.95181759
  O     -0.07458601     12.41644924     -0.45736919
  H      3.53695580     13.39402535     -1.17995272
  H     -0.51056905     15.31365209     -4.38747475
  O     -2.13526562     14.74572520     -1.73186368
  H      4.30060103     12.94287397     -2.45856993
  H      1.26508485      9.66722427     -1.68555470
  O      3.37693523     13.28538379      0.64070952
  H      4.76275257     11.98473348      0.36128720
  H      1.09920360     10.72661262     -2.82018849
  O     -2.15107057      9.85698454      2.28090368
  H      5.51447160     11.45217442     -0.87991154
  H     -0.82507337      9.60450457     -2.33227731
  O      4.39228228      8.70045291     -0.13704523
  H      6.22164360     11.53334303     -3.42626437
  H     -1.54095546      9.03971445     -1.10230461
  O     -0.83627402      8.13095977      0.46208510
  H      4.94257973     10.81970114     -2.92283153
  H      2.44630246     16.67291599      0.98940158
  O      3.92290476      9.40734277     -2.88372407
  H      1.63812642      9.98439101      0.68204632
  H      2.07997400     15.94192891     -0.32385509
  O     -0.17053416     14.93965972     -3.57918659
  H      2.58518106      8.91604712      0.07149670
  H     -1.51790721     14.08446406      2.04088365
  O      1.10711261      9.77590841     -2.63388433
  H      0.38336791     12.47746617     -1.30511110
  H     -2.65504181     13.04428370      2.21786654
  O     -1.68091377      9.58255656     -1.88698264
  H     -0.99689105     12.20297905     -0.65195436
  H      2.02986029     12.84759753     -2.73442554
  O      2.10255272     15.85191577      0.64659733
  H     -2.45899847     13.83997431     -1.62935746
  H      0.65257878     13.29700078     -3.29780365
  O     -1.92433698     13.47816075      2.67449963
  H     -1.74320157     14.98975693     -0.88365146
  H      2.71319811     15.15876284     -2.23062909
  O      1.13615799     12.53986186     -2.94404294
  H      3.01135754     14.16892857      0.77155684
  H      1.30293862     15.67229900     -2.58736907
  O      2.08519756     15.87479762     -2.06076234
  H      2.74911780     12.66552083      1.03953931
  H     -0.89118694     12.29659247      3.39947631
  O     -0.33447088     11.55868593      3.71098517
  H     -1.69938225      9.23568864      1.69675216
  H     -0.27371082     11.63983075      4.65870630
          69
 Energy    -250.71585966124775     
  O      2.13007140     -0.66786796      5.88796003
  H      2.31235809     -1.09314533      5.03947792
  H      0.68230777      2.36571159      1.99874291
  O      0.03848494      2.19503142      8.01828594
  H      1.84294242      0.23782036      5.70850007
  H     -1.64343132      0.60373754      3.89090201
  O     -2.29412639     -4.52259499      5.28314928
  H      0.11656686      1.33832657      8.47581113
  H     -1.09808728      1.83928937      3.13532763
  O     -1.95578683     -2.08308998      9.43525333
  H      0.27286826      2.86482180      8.65527465
  H      0.42859069      0.52032521      0.86613698
  O      1.87797392     -4.52028841      7.62763193
  H     -2.97506308     -3.84112797      5.27098405
  H      0.52723894     -1.02105057      1.02727427
  O      2.43111008     -1.95262890      3.45744975
  H     -1.85923456     -4.45487430      6.14496286
  H     -2.18931503      1.93080557      5.69889624
  O      1.91280175     -4.31863266      4.92884199
  H     -2.38442625     -1.56981969      8.72913464
  H     -1.65364839      2.11622224      7.13508468
  O      2.33298647     -1.78076116      8.41706725
  H     -2.56802711     -2.11255102     10.16629915
  H      1.94666371      2.24885575      3.83602859
  O      0.25013889     -0.19165382      9.26922202
  H      1.94456376     -4.46439281      6.65678417
  H      2.71681544      1.62133389      2.63982138
  O     -0.05953753     -2.37275999      2.20395344
  H      2.44706247     -5.23469038      7.90090918
  H      0.44099636     -1.32884543      6.07844697
  O      3.40609476      0.04167685      1.74398773
  H      1.56905764     -2.06876949      3.03323858
  H     -0.48172892     -2.51980613      6.48903784
  O     -0.17722988      2.23063000      1.55861919
  H      2.92402383     -1.33440394      2.90417080
  H     -0.57108979     -5.77692433      2.96920460
  O     -1.38470308      1.52904230      4.00331255
  H      2.26677451     -3.55703415      4.45303869
  H     -1.11785228     -4.78834154      4.02405353
  O      0.95168612     -0.25302775      0.62226139
  H      1.14593462     -4.60904584      4.42062092
  H     -1.91430750     -0.98792749      6.83978742
  O     -2.45267623      1.92020581      6.62844336
  H      2.25092290     -2.72427302      8.24235976
  H     -2.82163234      0.23879961      7.07406497
  O      2.17299502      2.37298759      2.90443177
  H      2.42893373     -1.36364631      7.54804224
  H     -3.74937177     -1.70522870      6.03239569
  O     -0.46055494     -1.66866114      6.03529850
  H     -0.46526251     -0.80887152      9.44640797
  H     -5.04916723     -2.17566566      5.34055375
  O     -0.41282522     -4.92427266      3.36631839
  H      1.02335811     -0.73610347      9.05579298
  H      0.06999327     -4.22446753      7.76294206
  O     -2.77568253     -0.72030809      7.19769603
  H     -0.77853456     -1.90834477      2.65659577
  H     -1.15128395     -3.44162201      8.36197857
  O     -4.09933791     -2.25788386      5.31353238
  H     -0.15972523     -3.30133355      2.44805457
  H      0.18749660      1.69090217      4.93782630
  O     -0.84829804     -3.96388500      7.60897687
  H      4.10869248      0.07411339      1.10020949
  H      0.77842216      2.03886493      6.32552878
  O      1.01933365      1.81304650      5.41797655
  H      2.57248499     -0.06172296      1.24851855
  H     -2.80516510     -1.52388566      4.08183936
  O     -1.94445005     -1.18579988      3.81347220
  H     -0.31444827      2.98115399      0.98642170
  H     -1.34351126     -1.39546948      4.54914726
          69
 Energy    -250.71386568601406     
  O     12.32454631     10.89126147    -15.41239902
  H     12.63967791     10.11952908    -15.90704687
  H     15.42169742      5.72027452    -14.73999694
  O     15.58548004      6.59321100    -13.12455424
  H     13.03251221     11.54081452    -15.46519699
  H     19.49762774      7.44140096    -13.80850995
  O     16.95451645     10.38186207    -11.23709442
  H     16.32865458      6.85508809    -12.56629202
  H     20.64122236      7.11896792    -12.81905982
  O     17.84579901     10.13529294    -15.31103798
  H     14.79187251      6.73060408    -12.58919302
  H     17.18450438     11.89044306    -17.88031819
  O     12.48532636      6.12546035    -15.91120012
  H     16.37924834     10.75393390    -11.91995032
  H     17.14328887     11.04394640    -16.58442860
  O     15.05522649      9.88558183     -9.28974847
  H     16.41070301     10.32381248    -10.43872586
  H     14.76749176      8.80837450    -15.31466042
  O     13.52780064      7.23173047    -11.36665125
  H     18.33371619     10.34686446    -14.50195792
  H     15.51735048      8.07137903    -14.16301014
  O     15.08194117     11.14068571    -13.14940366
  H     17.04136336      9.65588507    -15.05776081
  H     11.46687089     10.29856565    -14.03625030
  O     17.08432283      6.55214265    -17.33058197
  H     11.78124793      5.58597978    -16.26052794
  H     10.13447859     10.25097637    -13.25035413
  O     15.56514233      7.02872033     -9.40745952
  H     12.18667392      6.44741405    -15.04114462
  H     11.40295598      8.04664589    -13.47882824
  O     18.95703363      7.56381529    -15.45800496
  H     14.28934134      9.99153881     -9.86963763
  H     12.25255437      7.00391233    -12.73070556
  O     15.24593893      5.48261406    -15.66073278
  H     15.15344853      8.93612959     -9.15189416
  H     18.53885207     10.48952089    -12.23641469
  O     19.77407338      7.51084788    -12.87676953
  H     13.42272171      8.19499632    -11.38922847
  H     19.53472519      9.47115920    -12.83147720
  O     16.58965237     11.46313720    -17.26875412
  H     14.08716233      7.03831227    -10.60495975
  H     18.30644789      7.50441340    -11.78176634
  O     15.46034055      8.90316400    -14.64902479
  H     14.96337902     11.81892427    -13.82124011
  H     17.28869936      8.59184605    -11.33669168
  O     11.02111859      9.90094893    -13.26617919
  H     15.16587908     10.30820857    -13.64233098
  H     16.21358667      8.14816123    -17.93833708
  O     11.71928058      7.13607643    -13.52460293
  H     17.29796162      5.89847173    -17.99199365
  H     16.00454807      9.69002342    -17.97478186
  O     19.19479529     10.36749169    -12.93646223
  H     16.41718410      6.14738643    -16.74731477
  H     12.34584300     10.02045035    -11.95208463
  O     17.45890767      7.63788225    -11.33851710
  H     16.30520447      7.15967897    -10.02356464
  H     13.81661634     10.47447534    -12.00886993
  O     15.61531357      8.84752699    -18.23281183
  H     15.87109489      6.42481528     -8.73549359
  H     14.61287726     13.54346436    -15.76341346
  O     13.17629903      9.99970334    -11.46008654
  H     18.70503766      8.49479213    -15.52196599
  H     15.28752349     12.22558488    -16.19162975
  O     14.65814738     12.61111382    -15.56291753
  H     18.38415004      7.10843223    -16.08546766
  H     13.10139205      7.78116880    -16.49617961
  O     13.45072049      8.67487709    -16.59121160
  H     14.29709906      5.60231425    -15.78653060
  H     14.11405551      8.68122704    -17.29767973
          69
 Energy    -250.71301409023889     
  O     17.19407384     15.07099026    -16.79153794
  H     18.05652031     14.92429687    -17.20191533
  H     18.48011250     11.80115882     -8.77867119
  O     22.12692838     11.54578829    -15.06958051
  H     17.33693122     15.72285675    -16.09289337
  H     18.89011378     18.41351157    -12.04102181
  O     18.76399078     14.92738714    -10.33407148
  H     22.05008980     10.96262053    -14.30682824
  H     18.30772883     19.66778366    -12.73476984
  O     15.27808311     12.76537787    -13.21885433
  H     22.10389960     12.44403615    -14.70817490
  H     20.50014059     14.75209423    -10.96667334
  O     21.00525335     11.90105905    -10.65103507
  H     18.64114949     14.05704951     -9.93658512
  H     21.82790504     15.50978015    -11.20458620
  O     16.99282064     10.94841984    -11.74928143
  H     18.17704576     14.94005964    -11.10491045
  H     18.18739396     10.24871542    -12.84783979
  O     20.15605072     11.90170741    -16.96996664
  H     15.72930983     12.71141991    -14.07853264
  H     18.56244201      9.98479871    -14.35190006
  O     20.47239396     16.07026290    -15.47292536
  H     14.34127923     12.75354053    -13.39719190
  H     19.95727910     13.55422623    -17.44720230
  O     19.47859724     17.65149762    -10.57958588
  H     21.34562087     12.77663974    -10.87436243
  H     20.17794545     14.56227694    -18.59644219
  O     21.56122083     14.02322843    -13.96707542
  H     21.29676325     11.29292536    -11.34008404
  H     21.20119616     17.44681472    -14.41991197
  O     17.89160108     10.25017692    -16.09657510
  H     16.34613191     11.55006372    -12.13478885
  H     20.47381734     18.46765066    -13.52711175
  O     18.51386692     12.18621208     -9.65093762
  H     17.41906186     11.41799881    -11.02080415
  H     17.63393992     15.96702030    -13.82929671
  O     18.67833510     18.80637652    -12.90690210
  H     20.88802913     11.71758034    -16.36133272
  H     18.07627713     17.43748836    -14.01572719
  O     21.41135296     14.64145847    -11.27255217
  H     19.46245279     11.27184428    -16.75650482
  H     22.00789512     17.59023315    -12.17737109
  O     18.91993779     10.07395871    -13.46024643
  H     19.58291002     16.24225331    -15.13068842
  H     23.04023199     17.78519897    -11.04072393
  O     19.84406087     14.48645102    -17.70638142
  H     20.35716145     15.58907211    -16.30194760
  H     20.59932687      9.92132677    -12.97293834
  O     21.34230335     18.08889412    -13.71208681
  H     19.17321229     16.76656992    -10.34162221
  H     21.84713640      9.11310484    -12.54568507
  O     17.91180992     16.61425336    -14.49253699
  H     20.43872836     17.59028978    -10.65905130
  H     19.10468562     11.95157965    -13.55476829
  O     22.24734114     17.31101079    -11.27508875
  H     21.57827424     14.27401886    -13.03374932
  H     19.92912998     13.22661915    -13.90632463
  O     21.53356989      9.99894621    -12.71104240
  H     21.27966125     14.79275857    -14.47992192
  H     17.68553435     12.79552580    -14.94314649
  O     19.03679200     12.89200568    -13.75521850
  H     17.38736229      9.71773166    -16.70668044
  H     16.84532467     13.50847926    -16.02683076
  O     16.87629153     12.71530811    -15.47247953
  H     17.40442172     11.08357137    -15.98012480
  H     16.45711506     14.16736919    -12.69483946
  O     17.29003549     14.64676653    -12.62558221
  H     19.41168672     12.02030537     -9.99350359
  H     17.97297367     14.03459098    -12.94812150
          69
 Energy    -250.71275886223953     
  O     -3.06143240      0.54225263      0.63491078
  H     -3.65827592     -0.11879758      0.26489955
  H     -2.39963625     -6.63100641     -0.15523928
  O     -2.60621886     -1.45714730      7.68488018
  H     -3.28731143      0.60121715      1.57209015
  H      2.23756077     -0.68465171      2.32168495
  O      1.06671042      0.54421896      2.00161044
  H     -2.58492686     -1.42082289      8.63729859
  H      3.71011190     -1.09388264      2.56160729
  O     -3.72373086      0.13388849      3.34370692
  H     -3.06315008     -2.28407976      7.44333977
  H     -1.23976113     -1.96284107      0.93566611
  O      1.62375694     -3.11407348      4.50741637
  H      0.37238838      0.42335877      2.66645539
  H     -1.10861557     -1.51816896      2.42876516
  O     -3.82779905     -3.68127793      6.73142441
  H      0.60662139      0.74103458      1.17829279
  H     -2.90022679     -4.87598255      1.72619947
  O     -0.74348391     -2.06824790      5.66942596
  H     -4.10213211     -0.70414171      3.04668033
  H     -2.33451834     -3.53005108      2.23200608
  O      0.64512958     -5.60385696      4.12906782
  H     -3.99722654      0.23198377      4.26746088
  H      0.46275165     -2.91824170      1.35784058
  O     -5.88084840     -2.51501191      5.10227981
  H      0.94497093     -2.61680432      4.98151355
  H      1.96852902     -2.61767264      1.31723855
  O     -0.56280945      0.93574317     -0.32447294
  H      2.04655685     -2.50812153      3.88831994
  H     -4.31412397     -3.03556564      2.51524781
  O      0.22998776     -5.66385187      1.29881370
  H     -4.56012722     -3.39834131      6.16984477
  H     -5.05178088     -2.04177526      1.59127336
  O     -2.24826761     -5.76713691      0.21806896
  H     -3.19058386     -4.12472483      6.15498635
  H     -1.94285473      0.02025002      3.60529985
  O      2.82314564     -1.43958422      2.51395309
  H     -1.14840968     -2.90008956      5.38448682
  H     -0.88708082     -0.78082588      4.42564095
  O     -1.20427240     -2.28159917      1.84530510
  H     -1.25071827     -1.76995083      6.43431763
  H     -0.42569431     -0.85193492     -0.82547700
  O     -2.99235490     -4.22017774      2.42647252
  H      1.19937068     -6.23124517      4.58617276
  H      0.26158599     -2.21785572     -0.50766117
  O      1.27415372     -3.10560719      0.85948610
  H      1.06378924     -4.73028073      4.23886067
  H     -2.03712650     -2.80021394     -1.16963638
  O     -4.94601448     -2.30062806      2.51506622
  H     -6.81919630     -2.68711120      5.12696659
  H     -2.66624835     -4.13576667     -0.69930853
  O     -1.00161889     -0.19212745      3.66674454
  H     -5.63652078     -2.44870867      4.16480781
  H     -5.06375446     -0.88720432      5.78265574
  O     -0.52266037     -1.81019478     -0.89883371
  H     -1.47036976      0.85718423      0.02254478
  H     -3.83340449     -0.43308262      6.58445783
  O     -2.87741047     -3.26838567     -1.06285825
  H     -0.54577710      1.71684302     -0.87117223
  H     -2.32768640     -4.49571128      4.06712886
  O     -4.50123850     -0.12298638      5.96137823
  H      0.34720340     -5.73012083      2.25428783
  H     -1.04122250     -5.02971792      4.73400772
  O     -1.85818995     -4.54825086      4.91209943
  H      0.73808038     -4.88782386      1.02740972
  H     -4.13780513     -2.22079939     -0.52895862
  O     -4.79781913     -1.58430592     -0.19836796
  H     -1.33830821     -5.76900031      0.56733076
  H     -5.45201699     -1.48623931     -0.88511793
          69
 Energy    -250.71246715630605     
  O     11.63553601      9.39190657    -14.78860547
  H     12.10613618     10.22713786    -14.89280476
  H     15.09760831     10.31132237    -17.42082297
  O     17.27868872     10.28258535    -15.13340656
  H     12.05346729      8.77168109    -15.40018175
  H     15.92478761      9.04157561    -14.81775673
  O     13.36364704      5.01450474    -15.18921144
  H     18.02857041      9.73133893    -15.39222808
  H     14.77650210      9.03760979    -13.79856224
  O     14.85660273      9.99005649     -8.74282502
  H     17.39502241     10.54511302    -14.21055755
  H     11.25959456      8.61729129    -13.27352360
  O     14.90385770      7.13450530    -10.92427990
  H     12.95551703      4.15572115    -15.24867644
  H     10.16120423      8.04817648    -12.34549612
  O     14.39946471     10.59295095    -12.76708501
  H     13.22465053      5.33093481    -14.27633211
  H     18.08508949      8.38798502    -10.18210117
  O     17.08729685      7.26648212    -17.37048017
  H     15.15551025      9.11760405     -8.45862607
  H     17.97338533      9.63914375     -9.29792603
  O     15.99391778      7.37679245     -8.31874036
  H     14.12643686      9.82837270     -9.35505500
  H     13.73081019      6.26247702    -12.11246986
  O     19.14721437      8.41256116    -16.05159310
  H     14.29138675      7.88347260    -10.88346554
  H     12.32782373      6.68749188    -12.60414876
  O     16.04705325      5.93420143    -15.10652633
  H     15.23955887      7.02601086    -10.02533697
  H     17.27590613      9.72292035    -12.23206189
  O     18.50953151      6.57613122    -13.91964600
  H     15.34378280     10.76614678    -12.65211458
  H     17.19972739     11.06663625    -11.47757378
  O     15.21002057     11.06741549    -16.83339521
  H     14.06860979     11.10744818    -13.51364424
  H     17.85346676      7.45130914    -12.52651168
  O     15.18906646      8.50746736    -14.48939826
  H     16.70628244      6.68594698    -16.69728898
  H     16.55402840      7.62933015    -11.66136565
  O     11.10584078      8.13561872    -12.44121556
  H     16.34978734      7.73646315    -17.77533057
  H     16.23260284     10.92604613     -9.31071515
  O     18.17230312      8.69626184     -9.26741677
  H     16.17766910      6.83415526     -7.55715543
  H     17.18272065     12.12290968     -9.08188577
  O     13.02238189      6.02898234    -12.72576065
  H     16.83590965      7.79355265     -8.57699079
  H     14.35027214      8.57212033    -19.17576670
  O     17.15104249     10.67795143    -12.35946445
  H     18.46452294      8.00216063    -16.61419657
  H     14.14155558      8.25666970    -17.67625266
  O     17.42636134      7.99730445    -11.85181820
  H     19.95250179      8.43157958    -16.56132244
  H     13.52397486      9.83084636    -11.47845423
  O     17.05172903     11.34984672     -9.62438485
  H     15.23166264      5.42589458    -15.17125405
  H     12.30677919      8.91174769    -11.22253622
  O     14.75773866      8.65080659    -18.31663719
  H     15.78610072      6.79910257    -14.75299377
  H     12.98004377     12.62035227    -15.24892873
  O     13.09612063      9.27570512    -10.80598838
  H     17.74251501      6.14425501    -14.31975268
  H     13.94884914     11.51907908    -15.73983402
  O     13.27823296     11.73326439    -15.06672211
  H     18.86167634      7.16637736    -14.59631128
  H     13.92414618      7.98591366    -15.63334516
  O     13.26904011      7.62623576    -16.25465169
  H     16.01457790     10.90021948    -16.32204662
  H     13.18612655      6.69020522    -16.03502155
          69
 Energy    -250.71227318507374     
  O     14.50667061      1.11464520    -14.09420140
  H     14.91170661      0.98417298    -14.96318149
  H     18.08962380      6.55770942    -19.30248124
  O     19.53198703      8.31432628    -16.60992805
  H     15.13502627      1.64160605    -13.58626476
  H     15.57711767      3.66879896    -12.49710255
  O     14.48372725      4.89936813    -11.61925688
  H     18.85738327      8.92862575    -16.29355521
  H     16.13689531      3.45166132    -13.93460478
  O     13.73977976      4.29433457    -19.54697826
  H     19.48036158      7.53700462    -16.03967567
  H     16.88427300      4.21726524    -19.92471003
  O     18.58203658      4.55936915    -12.63331439
  H     15.19066478      5.56758386    -11.67257363
  H     15.47921574      3.59536940    -19.95455437
  O     16.34804865      9.08093083    -18.41774711
  H     14.15431296      4.91786668    -10.72469357
  H     18.94300776      5.50659044    -14.23225493
  O     14.60651154      6.29246771    -15.79643819
  H     13.49308218      3.72856696    -18.79342719
  H     18.87860075      5.32240321    -15.77064091
  O     18.41230864      4.16490762    -17.10604953
  H     13.02639311      4.23399161    -20.17711573
  H     17.45101497      7.02977012    -14.75474263
  O     15.57610988      1.43377496    -16.67342822
  H     19.20599611      4.08542923    -12.08890101
  H     16.82444393      8.44326008    -14.92670522
  O     17.21345244      9.88626812    -15.97886153
  H     17.81119169      3.97783671    -12.74407303
  H     12.63398343      4.29031448    -14.23848944
  O     16.05897794      3.93887266    -15.63816364
  H     17.17455615      8.84531477    -18.85708015
  H     13.37032206      5.09400038    -13.14088640
  O     17.54404619      5.77741162    -19.14974582
  H     15.76369388      8.31701403    -18.50945755
  H     12.74594929      2.69591202    -16.63084883
  O     16.22233153      3.16444784    -13.01059096
  H     15.25796754      6.80365842    -15.29695221
  H     13.96243528      2.08594775    -17.33801177
  O     16.41424692      3.38223428    -20.05721303
  H     13.91913972      5.99008801    -15.18384507
  H     14.78786540      6.52734604    -17.53024970
  O     18.94284332      5.98644641    -15.06976287
  H     18.16592986      4.76096256    -17.83053644
  H     14.48524286      5.89077703    -18.90995458
  O     16.69230836      7.58047004    -14.51409659
  H     18.37598988      3.27046471    -17.46502093
  H     17.37424695      5.97836617    -12.00857666
  O     12.91926171      5.17874228    -13.98966421
  H     15.67129346      2.32567795    -16.29947618
  H     16.56357291      7.04825271    -12.75458439
  O     13.18132737      2.63581798    -17.48805027
  H     16.32614746      1.32457899    -17.26752855
  H     19.24568432      8.21180349    -18.32917668
  O     14.98554933      6.59343353    -18.47746244
  H     17.05920319     10.81826504    -15.85298718
  H     19.63977652      8.57496788    -19.78212980
  O     16.60558707      6.55430892    -11.92356403
  H     16.83057705      9.64949312    -16.84303110
  H     18.30520214      1.09560940    -18.93845329
  O     18.95196573      8.17517644    -19.25748456
  H     16.87903106      4.08237257    -16.12741347
  H     17.27636582      2.24505126    -19.06489103
  O     17.78923257      1.71359944    -18.42793142
  H     15.50167193      4.71910478    -15.75093301
  H     11.47942276      2.03906533    -14.52136170
  O     12.26074198      2.53061685    -14.76228985
  H     16.66296510      6.08840489    -18.89197048
  H     13.02262499      1.99792800    -14.47523119
          69
 Energy    -250.71002894202249     
  O     16.32746700     10.16687154    -10.08351686
  H     15.72759540      9.67994453    -10.66629841
  H     13.41794841     10.52829759     -7.14764432
  O     14.65666331      4.62153916     -6.16702686
  H     17.21138283      9.79388595    -10.20697977
  H     13.23096777      7.69358972     -5.11065944
  O     16.11865537     12.59347964     -8.87712836
  H     14.56012603      3.71739325     -5.88195004
  H     11.79262946      8.05818268     -4.67206882
  O     12.36830579      5.65955898     -7.14402668
  H     13.79099687      4.90658169     -6.51511086
  H     17.74943145      4.83044308    -12.78410082
  O     14.74010203      8.53561258    -11.61610761
  H     15.94298157     13.28142776     -9.51370025
  H     17.40309854      6.29693418    -12.43336141
  O     18.73068950      8.88018132    -10.43981685
  H     16.15272139     11.75553111     -9.37082457
  H     15.68221560      6.87134457     -8.12764093
  O     20.13896425     10.07697101     -8.33678505
  H     12.28005503      5.85921287     -8.08364186
  H     15.57070149      5.42466520     -7.54382247
  O     18.34747576      6.26521286     -9.51600311
  H     12.21827103      6.47915827     -6.65698325
  H     16.98259159     11.17826765     -4.04668245
  O     12.25830417      6.10670723     -9.96534645
  H     14.82724778      7.60634882    -11.36719613
  H     16.93523653     10.10427645     -5.15826676
  O     14.57555719     11.77680350     -6.61382373
  H     13.89868706      8.82383672    -11.22920723
  H     17.90282980      8.43640592    -12.11693262
  O     12.45746145      8.98494689    -10.17026511
  H     18.61225370      7.98171520    -10.09789968
  H     16.43006185      8.32953188    -12.57422058
  O     12.95322963      9.75350305     -7.50143232
  H     19.31627124      9.33401325     -9.82063496
  H     14.53229946      8.93984267     -7.79604579
  O     12.35360151      7.96311125     -5.43737013
  H     19.50943250     10.71345609     -7.95296381
  H     15.79831856      9.14790842     -8.66362937
  O     17.38944091      5.38301920    -12.09571850
  H     21.00562437     10.46627822     -8.25690896
  H     17.64986839     12.18451187     -7.84599815
  O     15.90477773      5.94057369     -8.28585329
  H     17.53839821      6.10912467     -9.00551018
  H     17.90727187     11.60556426     -6.44474127
  O     16.84486645     11.05665802     -4.98242460
  H     18.19552825      5.83922759    -10.36752783
  H     14.85459856      6.17181056     -5.06445735
  O     17.32252000      8.01286773    -12.76344387
  H     13.13771199      5.92957009    -10.33635122
  H     15.62693459      7.50088224     -4.91478640
  O     15.42014453      8.59967330     -7.96571879
  H     11.63227312      5.64988411    -10.52345068
  H     15.20605778      5.79369599     -9.90392379
  O     18.33539826     11.79763342     -7.28798749
  H     15.03006679     12.15362468     -7.37788615
  H     15.63160586      5.50877850    -11.35686904
  O     14.80119132      7.05682810     -4.68281566
  H     15.26990523     11.56803611     -5.97796289
  H     19.64904822      8.43976724     -7.47263807
  O     14.88391143      5.79399356    -10.81915869
  H     12.54095444      9.34655685     -9.27756684
  H     19.12159683      7.04689941     -7.85893207
  O     19.26981395      7.63059815     -7.10650125
  H     12.24731201      8.05035183    -10.05654145
  H     16.43572944      8.55775409     -6.50797374
  O     17.01415595      8.44529115     -5.73772630
  H     12.64447352      9.22378967     -6.75564758
  H     17.84970848      8.10052286     -6.08214884
          69
 Energy    -250.70874496675845     
  O     15.14872330     10.40641093    -11.80404725
  H     14.31013698      9.95357371    -11.64132138
  H     17.10735339      1.86534996    -12.40228101
  O     18.77914125      6.72315665    -14.98528402
  H     15.24883520     10.47090065    -12.76205207
  H     17.49225124      5.35261210    -12.45881882
  O     12.71622704      3.91160880    -11.60019555
  H     18.51243462      7.52466256    -14.50087871
  H     18.30073480      5.39664113    -13.78251898
  O     14.16746559      1.55003234    -11.34467691
  H     19.62864105      6.90793432    -15.37689378
  H     13.83990349      5.61794506    -13.64736571
  O     16.36928315      6.02728512    -16.40090026
  H     12.92787943      4.14155839    -12.51668508
  H     14.25597315      4.34842151    -14.41988033
  O     14.66828201      8.00996896    -15.52610676
  H     11.95242962      4.44653105    -11.34539024
  H     14.03852259      7.65586710    -12.39188240
  O     17.96405395      8.91096749    -13.60743970
  H     14.75802860      1.79873440    -10.62474522
  H     15.37609064      6.85871161    -12.43824312
  O     10.86396686      5.81755223    -10.86854984
  H     13.53147482      2.27519549    -11.42354309
  H     16.48222285      9.56585326    -11.09120485
  O     16.14587799      2.65026781     -9.51815265
  H     16.15922632      5.15258784    -16.05186133
  H     17.72704665      9.57507780    -10.17119429
  O     15.70630552     10.35149504    -14.61454612
  H     17.22472670      6.26088645    -16.01929046
  H     12.79365414      7.43204363    -15.47658916
  O     15.72425808      1.14491739    -13.53775934
  H     15.21977346      7.36328614    -15.99029706
  H     12.36085556      6.07092864    -14.92529649
  O     17.62464988      2.38409572    -11.77408698
  H     14.65072902      7.71295281    -14.60218548
  H     15.82138201      2.74492244    -14.52233712
  O     17.86728315      4.79998550    -13.16048869
  H     17.25640397      9.44840037    -13.98434012
  H     16.56363652      4.06528541    -14.23410719
  O     13.48857263      4.81582379    -14.06551816
  H     17.84052489      8.93967478    -12.65269963
  H      9.94493136      8.26021560    -13.15340094
  O     14.58668526      7.08456668    -12.94357509
  H     11.40885013      6.25105613    -10.20141099
  H     11.18787233      7.54414885    -13.72648622
  O     17.24395002      9.03672923    -10.79211502
  H     10.74906655      6.46252026    -11.57749747
  H     15.99648081      5.94708399    -10.67280661
  O     12.02658159      6.95296241    -15.14012788
  H     16.73566220      2.57770790    -10.29068757
  H     16.87147088      7.24144784    -10.92445132
  O     15.89964048      3.66215558    -14.81230972
  H     16.56957794      2.17892017     -8.80604634
  H     12.14622140      8.53436437    -11.87726180
  O     10.77435266      7.86078499    -12.90410080
  H     15.67940956     11.05732429    -15.25529392
  H     12.91770736      8.21642734    -10.55855936
  O     16.65658755      6.35677549    -11.24809015
  H     15.30216152      9.57388484    -15.03702301
  H     13.55980954      6.28322227     -9.32854625
  O     12.95351895      8.72409304    -11.37989787
  H     15.63388869      0.24818081    -13.84861808
  H     12.85624921      7.09458337     -8.21755551
  O     12.91306116      6.98924908     -9.16413531
  H     15.10212264      1.24752565    -12.79541172
  H     15.17375230      4.20693317     -9.62398773
  O     14.63995710      4.96420044     -9.89825169
  H     17.86727013      3.19492335    -12.24148344
  H     13.99378450      4.62032568    -10.53469988
          69
 Energy    -250.70867425539285     
  O     12.45974401     13.06778423    -14.89915229
  H     11.72719577     13.60573090    -14.61039094
  H     14.56786139      6.20149840    -15.17872556
  O     17.55224456      6.41781409    -13.92348394
  H     12.91335776     12.75459691    -14.09766519
  H     16.42863747     10.28476613    -14.11892721
  O     19.04384034     10.25650447    -12.70192448
  H     16.73062205      5.91933193    -13.84011757
  H     17.97194105     10.49883434    -14.04530048
  O     16.43918257     13.21108097    -13.45221248
  H     17.47270769      6.93937788    -14.73171283
  H     16.55245387      9.15247726    -19.52379948
  O     14.98485716      5.14797398    -13.71886294
  H     18.99594519      9.36810091    -12.33182393
  H     15.37438255      8.98560170    -18.53087093
  O     15.57060195     10.64674682     -9.45025192
  H     18.63909392     10.84968033    -12.04993978
  H     14.35263823      9.18697867    -13.62770353
  O     13.97468311      6.60002380    -11.67751805
  H     16.06184747     13.67492334    -14.21498746
  H     15.37983333      9.15284476    -12.44111970
  O     13.96351159     12.14488506    -12.78938234
  H     16.84696320     12.41716744    -13.81817539
  H     14.08584022     10.98841313    -16.49366794
  O     13.74577011      8.54239741    -18.04398430
  H     14.83621925      4.21984080    -13.55962549
  H     12.75930740     11.55699238    -15.95270831
  O     16.00502011      8.32844587    -10.94015497
  H     14.59167807      5.63012698    -12.96907243
  H     18.26703659      7.14587196    -12.52281682
  O     16.95886584      8.18124266    -16.07412933
  H     14.65051957     10.70477353     -9.76234793
  H     19.27510734      7.05771725    -11.35101433
  O     14.44526368      6.93021435    -15.80022116
  H     15.55946963     10.85558094     -8.51964720
  H     12.09226569      8.61578327    -12.86995702
  O     17.19634114     10.60929464    -14.61764269
  H     13.19912553      7.17091880    -11.66603546
  H     10.93582910      8.35610155    -11.87880696
  O     16.30357383      9.26722345    -18.61089051
  H     14.69491631      7.12329621    -11.29682850
  H     16.85122855     11.61114685    -10.55099276
  O     15.08740949      9.65368316    -13.21341739
  H     14.26880984     11.23376326    -12.91364742
  H     17.16139418     12.58593215    -11.71481384
  O     13.16129346     10.75982937    -16.31927057
  H     14.76162036     12.68010391    -12.89513800
  H     16.06273841     10.85811412    -17.57962098
  O     18.58325337      7.59981781    -11.72056212
  H     13.34926235      9.29093050    -17.57997269
  H     16.38020158     11.23752789    -16.11345896
  O     11.86953582      8.54894940    -11.92583267
  H     13.84064522      7.84221046    -17.38490151
  H     13.23680452     11.40337912    -11.23525028
  O     17.56386146     11.96891854    -11.09240694
  H     16.93194946      8.10738616    -11.09843953
  H     12.64076466     10.01311243    -10.92458480
  O     15.82241062     11.46658499    -16.87119517
  H     15.96388449      9.07420435    -10.32784317
  H     14.16416337     13.84436287    -15.57805048
  O     13.07209656     10.77456726    -10.51902528
  H     16.89146880      8.45492530    -16.99731698
  H     15.37737020     13.24827800    -16.30638271
  O     15.10108328     13.98971304    -15.75103494
  H     17.13192471      8.98655287    -15.56944987
  H     12.82260810      9.45834214    -15.10853138
  O     12.79776777      8.70647602    -14.49972950
  H     15.30300529      7.37362427    -15.87129250
  H     13.26365880      7.98160831    -14.94035521
          69
 Energy    -250.70808244936887     
  O     -8.04694078     -2.10675934      5.33121851
  H     -7.11367201     -2.04575925      5.55868337
  H     -4.31472994      0.90233305      1.20702363
  O     -8.97443548     -2.67169495      2.87333268
  H     -8.49761145     -1.38650314      5.79696026
  H     -6.60157672      0.60002889      4.03857564
  O     -5.58701138      1.23123286     -0.11003410
  H     -8.68609124     -2.45595183      3.77948286
  H     -6.80315561     -0.40755344      2.86045067
  O     -5.73337278      0.98673612      5.63812328
  H     -9.48678571     -3.47323590      2.93961763
  H     -4.76503843     -1.68857890      5.03179079
  O     -4.67546797      5.64640293      1.15144193
  H     -5.98777165      0.41363486     -0.42743537
  H     -4.70232810     -2.29711229      6.45402664
  O    -10.18657991      1.71444041      1.14015116
  H     -6.29466153      1.71896491      0.33664310
  H     -0.73231938      2.68263189      0.89162133
  O     -9.32037085      0.09704643      6.42396007
  H     -6.34362209      1.37219188      6.27962484
  H     -1.89690953      3.34133484      1.67103023
  O     -4.13695131     -1.50985232      3.42834598
  H     -5.53888739      0.07795740      5.89986215
  H     -8.85797300      2.92187232      4.51862253
  O     -3.98755592      3.54359150     -0.44504513
  H     -4.47940766      4.92387599      0.52828671
  H     -7.72940796      3.96747013      4.29570688
  O     -9.65803794      1.29845460      3.90084616
  H     -4.66312971      6.45478465      0.64613422
  H     -6.49334275     -1.82188807      1.02146700
  O     -6.98862682     -1.15419697     -0.66899239
  H     -9.27773463      2.06257250      1.14626795
  H     -7.25183671     -2.42162577      2.23653607
  O     -3.64270344      0.83876713      1.89943569
  H    -10.71797779      2.33383629      0.64697873
  H     -9.75906537     -0.09531446      0.78879614
  O     -7.09446398      0.43511600      3.22458196
  H     -9.65877826      0.50098688      5.61317079
  H     -9.36250434     -1.45809608      1.42400466
  O     -5.22339504     -1.73096222      5.89141137
  H     -8.80430756      0.78911655      6.85267711
  H     -7.64047526      2.84711371      7.98785449
  O     -1.67800870      2.66222189      1.00749785
  H     -3.82967575     -0.71955862      2.96759251
  H     -7.88253229      2.84555009      6.45840835
  O     -8.32689237      3.59954566      4.95731589
  H     -4.85088489     -1.86213235      2.87719776
  H     -3.14976658      3.91451029      3.36591123
  O     -6.40582178     -2.04832388      1.95528629
  H     -4.54254709      2.75472163     -0.49326710
  H     -3.23293545      5.03860031      2.31929057
  O     -9.36634249     -0.95557580      0.59965399
  H     -3.13446173      3.24233218     -0.10800691
  H     -4.16966324      2.00009168      3.21417896
  O     -7.62530184      2.28831138      7.21613783
  H    -10.07157596      1.43600213      3.04224104
  H     -4.76793361      2.12372979      4.63577090
  O     -2.60758198      4.48331133      2.80050985
  H     -8.80764246      0.86921057      3.71875655
  H     -7.37784791      1.68818727      2.03691872
  O     -4.40076471      2.63748110      3.90450518
  H     -7.88186013     -1.05733873     -0.29025910
  H     -7.21695882      3.21253235      1.86032821
  O     -7.55272877      2.42007617      1.42160199
  H     -7.08040659     -1.67090816     -1.46507865
  H     -5.71289956      3.75788273      3.35584684
  O     -6.37973567      4.35637575      2.98436293
  H     -2.87116071      1.32454792      1.58116592
  H     -5.89967544      4.94954243      2.39364920
          69
 Energy    -250.70786634101532     
  O     17.79330007     15.32845728    -16.34345858
  H     18.51150366     14.96253372    -16.87365684
  H     17.44650823     11.27638509    -10.22263857
  O     21.15971983      9.87831491    -15.37636403
  H     18.21617301     15.74787769    -15.58283478
  H     20.70475880     18.53514687    -11.89492110
  O     19.51487016     13.64108225    -10.13235157
  H     20.70555640      9.32435187    -14.72976700
  H     20.80897633     17.06978948    -11.40841255
  O     15.30193346     13.73349536    -12.80233416
  H     21.50356814     10.62846334    -14.87223954
  H     21.05486617     12.89547308    -10.77421788
  O     20.27873996     10.10825611    -11.15346721
  H     19.06577468     12.86490272     -9.77644714
  H     22.55569837     13.13992092    -11.05120502
  O     16.24662506     11.32660714    -11.47207483
  H     18.96759667     13.95019678    -10.87016223
  H     16.99769120      9.93133696    -14.52197998
  O     19.35393617     11.52908255    -16.60399942
  H     14.44095662     14.14141305    -12.76010360
  H     18.03779249      9.26574190    -13.54885559
  O     21.39334140     14.65656750    -15.19514582
  H     15.50303280     13.59592923    -13.74382451
  H     20.28499800     13.98125118    -18.51585170
  O     21.14163114     15.94523857    -10.11279905
  H     20.96006505     10.79021450    -11.11327024
  H     19.80562194     13.07875600    -17.35555024
  O     21.43728988     12.25009905    -13.84820052
  H     19.56332082     10.41274221    -10.58200410
  H     22.23745660     16.74092178    -13.00482460
  O     16.68440189     10.57147480    -16.20566171
  H     15.83176221     12.09634604    -11.87499569
  H     22.50661113     15.64359604    -14.05263767
  O     18.17272723     11.23280384     -9.57491820
  H     16.46952988     10.71905112    -12.19197685
  H     20.01450482     15.56998096    -14.42106620
  O     20.71519424     17.63161255    -12.19876311
  H     19.05847508     11.86316690    -15.74575239
  H     19.68839546     16.72392683    -13.44136586
  O     21.85653317     12.47826152    -11.12298122
  H     20.02032488     10.85976811    -16.38687235
  H     23.39634252     15.17392455    -11.89692494
  O     17.27537340      9.85688469    -13.59668131
  H     21.49893851     13.79580662    -14.76286617
  H     24.47427742     14.85968930    -10.83274190
  O     20.03462293     13.99276848    -17.59544433
  H     21.05969254     14.48796865    -16.08385711
  H     19.96538672      9.06426492    -12.50187273
  O     22.89706341     16.09948211    -13.29559936
  H     22.00713190     15.55130657    -10.27823292
  H     19.91777693      7.61751193    -13.04867653
  O     19.28475129     16.07178762    -14.02830391
  H     20.53846652     15.20598987     -9.96120881
  H     18.45238161     12.91871261    -13.29354771
  O     23.56110717     14.70541445    -11.05894597
  H     20.47284636     12.17147451    -13.85085894
  H     18.20871646     11.41286673    -13.69060241
  O     19.72103790      8.52306360    -13.27489427
  H     21.69473487     12.31543375    -12.91941090
  H     16.68022899     14.04685084    -15.76398659
  O     18.63528255     12.23964243    -13.95688910
  H     16.27877048     11.44148468    -16.10667151
  H     17.08189711     12.86174334    -14.88000338
  O     16.31694546     13.27784478    -15.29879202
  H     17.55195496     10.74100932    -16.59479870
  H     18.36490960     15.02514856    -12.90947612
  O     18.00713502     14.35789870    -12.30516256
  H     17.80957894     10.85134863     -8.78003737
  H     17.04732471     14.32717512    -12.39489990
          69
 Energy    -250.70743079080583     
  O     10.65762771     10.57327395    -11.93578075
  H     11.53303113     10.92826775    -12.13898936
  H     15.95467248      8.20368848    -17.54210458
  O     13.68614123      7.59258777    -15.46265737
  H     10.26677436     10.31850416    -12.78086047
  H     18.71766099      6.10938814    -16.87709365
  O     17.74900819      9.72342888    -11.02440700
  H     13.38548529      7.01511354    -14.74669658
  H     17.33174205      6.75367654    -16.62752185
  O     18.34962351      9.42824752    -15.76966947
  H     13.16134607      8.40386571    -15.41838017
  H     16.11702935     11.99653800    -13.84119445
  O     12.39613490     10.01553007    -15.09120240
  H     17.77484380      8.74827864    -11.03033710
  H     15.75475945     13.50126755    -13.88741654
  O     15.41532076      5.61202644    -10.32038440
  H     18.35578058     10.00626521    -10.34598710
  H     16.17923453      9.21042774    -13.96563494
  O     12.99516719      6.07881215    -13.21931364
  H     17.76741427      9.68829253    -16.49626888
  H     15.02897449      8.23723162    -14.42899101
  O     14.93159640      9.43598840    -11.32036357
  H     18.43935199      8.47139274    -15.84142842
  H      9.97768195      8.34857950     -9.76242829
  O     16.41889203     10.01795499    -17.77753545
  H     12.70491798     10.37947234    -14.24911752
  H     10.60711422      9.14532773    -10.93126919
  O     15.18698414      4.32310067    -12.92417773
  H     11.45100784      9.84843288    -14.98946159
  H     16.61969145      6.90718026    -13.64999136
  O     17.31605746     10.74849140    -13.64151032
  H     15.31795264      5.03879694    -11.08949718
  H     17.61965727      6.13189765    -14.53308317
  O     15.81299198      7.28821326    -17.26843736
  H     14.61534799      6.15337289    -10.30476283
  H     11.16949340      6.60062592    -13.23000794
  O     18.20118074      6.57302852    -16.22384671
  H     13.64147625      5.36290682    -13.19042714
  H     10.34246588      7.34668682    -12.16317281
  O     15.38755028     12.62639035    -13.98219107
  H     13.08546507      6.54726066    -12.37622668
  H     16.94671121      6.57492475    -10.66138898
  O     15.67515656      8.42157433    -13.73555075
  H     15.12131820      8.98227323    -12.15904396
  H     17.75102548      6.64744925    -11.96222449
  O     10.59092073      8.27781188    -10.48878232
  H     15.79802402      9.66228722    -10.96688923
  H     13.71003077     10.89283470    -16.07833460
  O     17.14295318      6.09126495    -13.69566386
  H     15.72316565     10.50209268    -17.29792223
  H     14.81313737     11.86912881    -15.62563822
  O     10.34187612      7.07801004    -13.09059876
  H     16.51221278     10.44366385    -18.62556975
  H     12.33165828      7.65618753    -10.52797243
  O     17.69160375      7.03112643    -11.07948438
  H     15.92094368      4.87960380    -13.23611601
  H     13.78633239      8.13403768    -10.81601239
  O     14.52754759     11.31984671    -16.36522999
  H     15.41336737      3.42221609    -13.14025319
  H     13.82565049     10.62268792    -12.13866604
  O     13.22251573      7.35126397    -10.73786287
  H     17.58784354     10.40674606    -12.78025102
  H     13.92992252     11.82639539    -13.09856762
  O     13.30395429     11.20187994    -12.71206035
  H     17.84960305     10.33438563    -14.33808330
  H      8.92527396      9.32783320    -14.83349301
  O      9.77328519      9.38128337    -14.40195533
  H     15.01030229      7.29065429    -16.73023473
  H      9.94075889      8.51036734    -13.99772038
          69
 Energy    -250.70548434798224     
  O     -0.79264769      3.32538406      5.71043040
  H     -0.62726427      3.51890831      4.77795899
  H     -1.42417457      4.00009822     -1.94967021
  O      0.13330362      1.25631431     -0.44877654
  H     -0.40111946      2.45717750      5.86956657
  H     -3.43312348      3.48306329      7.42722668
  O     -1.34673097     -0.99373894      2.15514168
  H     -0.35842924      0.43841951     -0.58541111
  H     -2.43883793      3.26198585      6.26264030
  O     -4.43165035      1.87147886      1.31634620
  H     -0.42877860      1.97047159     -0.77523787
  H     -1.57671172      4.28824197      1.71737306
  O     -1.74999464     -0.90341395     -0.60862674
  H     -1.63951486     -0.11587500      2.44734306
  H     -3.07096412      4.60613133      1.47574353
  O     -4.73522485     -1.34108002      4.93468151
  H     -1.37777109     -0.98425638      1.18931120
  H     -4.67288913      3.09231070      5.25965194
  O     -6.63495208      0.52280778      4.50642749
  H     -5.10845366      1.21641199      1.53430117
  H     -5.76221720      2.22529015      4.56447566
  O      0.02130680      0.58940689      6.01341086
  H     -4.73625816      2.75404263      1.55928011
  H     -1.13889393      2.66486821      2.97057201
  O     -3.48667237      1.21184063     -1.14311547
  H     -2.35454210     -0.17530915     -0.81881853
  H      0.30804511      3.00094202      2.54108984
  O     -6.03211454     -0.28396778      1.85332443
  H     -2.28718212     -1.70334807     -0.64191851
  H     -5.01805619      4.02060290      3.12264393
  O     -3.80017679     -2.91436327     -0.42468998
  H     -3.98846598     -0.82095655      5.26530098
  H     -5.51120670      5.13458131      2.16916550
  O     -1.63705505      3.32719447     -1.30869013
  H     -4.43711225     -1.77430430      4.12567799
  H     -3.00680654     -1.75459774      2.37328081
  O     -3.34164436      3.06695697      6.57433689
  H     -7.42159118      0.33636777      5.01260780
  H     -3.93808030     -2.55807354      1.45901224
  O     -2.21224263      4.56296883      1.04181162
  H     -5.98613619     -0.16934707      4.73159481
  H      2.48418905      2.13254459      1.43087593
  O     -5.30999443      3.07669763      4.53497711
  H      0.59135222      0.19742581      6.66931467
  H      1.10415012      1.64779693      0.92980180
  O     -0.49038933      3.38668536      2.92080110
  H      0.37331909      0.32380303      5.14471228
  H      0.22383301     -0.61570255      3.08265045
  O     -4.86014149      4.44389567      2.25878383
  H     -2.90947483      1.93544315     -1.41292761
  H      1.23470763      0.54179798      2.97281594
  O     -3.90936779     -2.09764266      2.30628311
  H     -3.81338202      1.46534961     -0.26471164
  H     -3.05108293      1.28113033      6.12714564
  O      1.60457525      1.90998810      1.72370071
  H     -6.41203889     -0.03350771      2.70399317
  H     -1.81325518      0.38943774      5.85497714
  O      0.90587415     -0.13782396      3.57380545
  H     -5.31821632     -0.91183110      2.04294266
  H     -5.86379694     -0.59722382     -0.06900029
  O     -2.76529303      0.46168461      5.70285010
  H     -4.01544166     -3.69562747     -0.92681181
  H     -4.90225870     -0.08553260     -1.16906194
  O     -5.47108044     -0.82650908     -0.92075506
  H     -4.44583717     -2.23009319     -0.67812881
  H     -3.12111267      1.56410499      2.50998394
  O     -2.35081483      1.38109147      3.06412302
  H     -1.85995745      3.79053382     -0.48136424
  H     -2.64199650      1.11844604      3.94542669
          69
 Energy    -250.70535694656866     
  O     -9.38319158      0.97408033      3.38897965
  H     -9.73695516      1.74592958      2.92168664
  H     -9.92800430      4.04741894      2.57947099
  O     -5.67469914      1.98010560      6.51292319
  H     -8.87516610      0.45399477      2.75505263
  H     -4.87017247      0.60795561      3.06891524
  O     -8.52915052     -0.82853025      7.19169473
  H     -4.92139715      2.56031250      6.36065071
  H     -4.53134310     -0.87750718      2.83427961
  O     -8.28063672      4.61644195      5.84914485
  H     -6.26347961      2.12977587      5.75553841
  H    -10.12545012      0.75951237      4.98595521
  O    -12.85873265      2.10441792      5.28373220
  H     -8.52866875     -1.67047424      7.63967255
  H     -9.91174016      0.12081554      6.37826409
  O     -7.30137865      2.55280907      4.35975811
  H     -7.74509195     -0.82017183      6.61448313
  H    -12.18618501      5.27637672      5.21145432
  O     -7.75054988      1.69133571      8.42835450
  H     -7.91405437      3.88502635      5.32612822
  H    -12.53257883      4.90109912      3.75946491
  O     -9.93116930      3.00560540      7.42908478
  H     -8.86488890      4.19982702      6.49239783
  H    -12.95561265      2.76474541      3.67867881
  O    -12.24581928      4.37731739      6.91819355
  H    -12.14298359      1.49849335      5.51696969
  H    -13.78906374      3.05994533      2.40821626
  O     -7.05669120      6.33816182      2.59507897
  H    -12.79128558      2.84526854      5.89891986
  H     -6.79173746     -0.23285835      2.02162261
  O     -4.18159916      2.19524016      3.15209357
  H     -7.99819100      1.95071108      4.07435886
  H     -7.68545433     -1.00757379      1.02748117
  O    -10.25041989      3.26276001      2.11572627
  H     -6.88771175      2.92771320      3.57125346
  H    -10.43026323      5.74097355      3.76598110
  O     -5.26098683     -0.28030612      2.98200135
  H     -6.96391723      1.88489288      7.90094074
  H     -9.10002136      5.28602531      4.41115469
  O    -10.47809448      0.72956124      5.88785700
  H     -8.01504967      0.80018697      8.17018671
  H     -6.42948311      4.64098678      2.13147281
  O    -12.13711988      5.59476760      4.30118837
  H     -9.18555159      2.67708682      7.95240222
  H     -6.81270361      3.32560003      1.38186071
  O    -12.95514864      3.24543424      2.83106350
  H    -10.16599312      2.27099556      6.84378786
  H     -6.00129892     -0.58042403      4.76619887
  O     -7.63611183     -0.20623340      1.54345916
  H    -11.41256867      3.96166830      7.19737347
  H     -5.91539196      0.20812433      6.07823044
  O     -9.49751044      5.56803403      3.57369106
  H    -12.65617753      4.72003872      7.70842916
  H     -3.03268760      4.28045912      5.80634048
  O     -6.21149817      3.70643032      2.03928342
  H     -7.08498313      7.14471591      2.08685537
  H     -4.48644606      4.53477570      5.35104392
  O     -6.27058048     -0.60488962      5.68958872
  H     -7.97000556      6.15031405      2.87181185
  H     -8.90426979      2.74696293      0.88581491
  O     -3.81537291      3.84179642      5.48383833
  H     -4.76201756      2.77350849      2.63577551
  H     -7.95825591      1.53569508      0.70642275
  O     -8.07859347      2.46285211      0.47000695
  H     -3.95669102      2.69490759      3.94532367
  H     -6.60490823      5.44382385      5.57820856
  O     -5.78967171      5.69453928      5.12275660
  H    -11.20930074      3.24632301      2.23320698
  H     -6.07520967      6.03087419      4.26606927
          69
 Energy    -250.70495221139839     
  O     12.65396928     11.26992057    -13.71408679
  H     13.14872369     11.05660475    -12.91244577
  H     16.41439474      6.53805946    -16.24928435
  O     15.09807310      6.64668899    -17.45913193
  H     13.27553474     11.15878219    -14.44851134
  H     14.17749920      7.30087859     -9.97334087
  O     13.57078691      5.61571362    -12.51733927
  H     14.52458438      7.41418399    -17.57241689
  H     14.43548381      6.25553001    -11.07436122
  O     17.31529974      5.36578841    -10.37222106
  H     14.52964652      5.91463491    -17.19172063
  H     13.62720525      8.74661224    -12.98661092
  O     13.73935938      4.35518725    -16.32665555
  H     12.63643581      5.38178057    -12.48203334
  H     14.60088091      8.28399600    -14.08062697
  O     10.34507717      9.90492222    -13.73742059
  H     13.62078003      6.48228452    -12.95409761
  H     15.25305287     10.20686045    -15.32033837
  O     13.31712716      8.87165341    -17.61399944
  H     17.94161392      6.07640386    -10.55821352
  H     14.20418086     10.16775293    -16.44498147
  O     19.00409121      7.45848621    -11.38764876
  H     16.46352002      5.79370870    -10.21416119
  H     10.13242599      4.67794166    -12.51474543
  O     11.69832991      8.20476792    -15.49435101
  H     14.34824071      4.27811994    -15.57384985
  H     10.90006430      5.33468492    -13.68831074
  O     17.52894679      3.63155737    -12.44732793
  H     13.81937783      3.54366337    -16.82350257
  H     10.78575063      7.11708181    -12.04057717
  O     18.95002676      5.87191814    -13.58792332
  H      9.60430750     10.50393808    -13.75930048
  H     10.65568431      8.63152857    -12.35163941
  O     16.90454729      6.40018662    -15.42480687
  H     11.15182484     10.45507422    -13.73373784
  H     14.76217774      4.75435503    -13.50858444
  O     14.87083618      6.76297651    -10.37360917
  H     12.65472710      8.65717822    -16.93628768
  H     16.11857285      3.99870830    -13.58381984
  O     13.75227660      8.07470482    -13.66817884
  H     12.83828487      9.18077564    -18.37939996
  H     11.35079889      6.39641387    -15.53263209
  O     14.52117625     10.70377652    -15.70984370
  H     19.04557574      6.94443445    -12.21438344
  H     12.08299499      5.04678300    -15.72680204
  O     10.78937937      5.33731279    -12.71981464
  H     19.89423012      7.73713586    -11.19133748
  H     12.01080172      8.26805106    -10.36765843
  O     10.89420098      7.99849085    -11.66380657
  H     11.06546136      8.77837326    -15.04631633
  H     12.23806722      8.68622446     -8.89427169
  O     15.40949185      4.37315583    -14.12103673
  H     12.45332722      8.13908669    -14.88754410
  H     16.61575241      8.07164864    -14.78717182
  O     11.28248119      5.44608032    -15.36568678
  H     17.89858906      2.80610791    -12.14563506
  H     16.46541541      8.88514312    -13.46533413
  O     12.69472288      8.45272730     -9.69783987
  H     17.42188275      4.19551066    -11.65995286
  H     13.58794848      9.63043735    -10.85550395
  O     16.28221850      8.89948007    -14.41429611
  H     18.39783933      6.12119430    -14.34127089
  H     14.95934983      9.80166524    -11.56205791
  O     14.02687609     10.05117215    -11.60528235
  H     18.60031692      5.02785670    -13.27806048
  H     17.42432811      8.42539376    -11.48753420
  O     16.51101110      8.71327458    -11.60946615
  H     16.41104612      5.72602635    -14.93912891
  H     15.95957815      8.02176587    -11.21641923
          69
 Energy    -250.70479045401174     
  O     16.39306237     11.37980057    -14.78503817
  H     16.23476687     11.09660139    -13.86840293
  H     15.95031295      4.74887680    -15.01053937
  O     15.31884808      5.16537389    -16.61271231
  H     16.92973839     12.16765284    -14.73831177
  H     13.76470050      8.81391034    -10.25438634
  O     12.58897404      7.05803168    -12.52434295
  H     15.46008610      5.99252755    -17.08805075
  H     13.41301414      7.51421769    -11.01102696
  O     14.73270034      5.60057354     -8.90489363
  H     14.36613621      5.06600909    -16.49598505
  H     14.72852823      9.12393902    -13.49991314
  O     12.59733380      4.64316099    -15.78613445
  H     11.74068647      7.43008842    -12.79282035
  H     15.39337150      7.84207237    -14.03241948
  O     13.54309526     11.26641884    -15.28865985
  H     13.26128285      7.48290034    -13.08174708
  H     17.39486907      8.33724039    -15.25657590
  O     15.78943932      7.68747767    -17.88338199
  H     14.41360382      6.42336270     -9.30986553
  H     17.01456742      9.78304483    -15.65654146
  O     17.41967740      5.68164476     -9.95145042
  H     14.42917721      5.60598632     -8.00020360
  H     10.68014379      7.96286263    -14.52919527
  O     13.55909207      8.74018915    -16.53568997
  H     12.83953169      4.51002930    -14.85454978
  H      9.46378056      8.38683567    -13.67161584
  O     14.51972947      3.51451524    -10.86322241
  H     12.19914136      3.82695792    -16.08080084
  H     12.56217668     10.89739719    -13.80850099
  O     17.22621046      3.52732242    -11.83548568
  H     14.49093096     11.42358791    -15.21156409
  H     11.49817505      9.90104365    -13.27061913
  O     16.05587660      4.65056476    -14.05185577
  H     13.45667813     10.51284243    -15.88794532
  H     13.04694991      5.37190397    -12.88444531
  O     13.94937777      7.86726321    -10.28510265
  H     16.38090441      8.14411627    -17.25744330
  H     13.66975721      4.05266966    -12.34198934
  O     14.54583438      8.30136195    -13.96812140
  H     16.17488367      7.78802287    -18.74943458
  H     12.03290300      7.77344252    -16.27845189
  O     17.29178589      8.93110556    -16.01327344
  H     16.58671219      5.57798288     -9.47420704
  H     11.69472344      6.31383794    -15.91360478
  O     10.41646148      8.36641173    -13.68154608
  H     17.46198350      4.94132962    -10.56960314
  H     13.16178704     11.34381537    -10.15629355
  O     12.12117797     10.58569856    -13.00448098
  H     14.24169520      8.42443232    -17.13931285
  H     12.91703363     10.62258361    -11.50610041
  O     13.39534614      4.50890966    -13.15072565
  H     13.89845595      8.57743546    -15.64142123
  H     17.05941868      7.45450407    -12.87821554
  O     11.32913210      7.20585795    -15.93281257
  H     15.44617760      3.37620271    -11.09619854
  H     16.84452066      6.28163020    -13.88106053
  O     13.46364993     10.61925787    -10.69673132
  H     14.52310165      4.16516676    -10.15042551
  H     16.23901946      9.65104270    -11.90829022
  O     17.09951449      7.21160891    -13.81326189
  H     17.84054798      2.82848377    -12.04596364
  H     15.02103916     10.59633187    -11.73027879
  O     15.74579633     10.37063695    -12.32656141
  H     16.90804979      3.88187861    -12.68260324
  H     15.72433294      7.94458929    -10.90815970
  O     16.65268019      8.00487491    -11.17059246
  H     15.15877401      4.62779776    -13.69145994
  H     17.09633835      7.27217034    -10.71870302
          69
 Energy    -250.70460851054227     
  O     14.71589669     10.41621915     -9.75394611
  H     15.28599412     11.19080187     -9.66860859
  H     10.17808218      4.82892365    -11.82470357
  O     17.99796277     11.48592448    -13.70852524
  H     15.26903856      9.71199550    -10.12036811
  H     10.93372379     10.85299332    -11.34205141
  O     11.79054158     11.16751557    -15.17759748
  H     18.08582058     11.09350658    -12.82080605
  H     10.30276718      9.52808122    -10.89160053
  O      9.48923334      9.89723093    -13.94797065
  H     18.88162477     11.66688316    -14.01724818
  H     10.86825745      7.11242202    -10.72130538
  O     13.93788062     12.17811835    -13.80309375
  H     12.28080240     10.50330943    -15.67675424
  H     11.93368634      8.16376472    -11.03960302
  O     15.73780507     10.21085577    -14.76121389
  H     11.00509331     10.73559880    -14.82456482
  H     16.81755399     12.84725756    -12.98580775
  O     16.50243399     12.57134658     -9.91487271
  H      8.61972658     10.22794698    -14.15615710
  H     15.30451881     13.12356484    -12.94301586
  O     16.37185337      8.34297935    -10.72928343
  H      9.65086293     10.10140065    -13.00873847
  H     13.93441863      9.78872022    -17.42356563
  O     13.31050495      5.20150280    -11.76480685
  H     13.12360092     12.00016254    -14.29720812
  H     14.48644320      9.77184244    -15.98328640
  O     18.08414621     10.53095140    -11.17205432
  H     14.57110250     11.50784089    -14.09372235
  H     14.30798087      6.90335534     -9.14886944
  O     12.93743308      8.68308755    -12.52316192
  H     16.56534105     10.64622637    -14.52225363
  H     15.14272645      5.63145644     -8.87470025
  O     10.64893718      5.64947900    -11.93944575
  H     15.69269894      9.39289087    -14.24291639
  H     15.11111808      4.72296214    -14.75709123
  O     10.10749058     10.34822917    -11.36192222
  H     16.32749313     12.91560400    -10.80932168
  H     14.09325490      5.88792292    -14.83879429
  O     11.25004387      7.93373857    -10.39183568
  H     16.71117943     13.32230783     -9.36621163
  H     13.27432690      7.72117102    -16.08954491
  O     16.13774159     13.32774600    -12.49778816
  H     16.01252634      7.58141071    -10.25951052
  H     12.18601956      7.01520232    -15.25656698
  O     13.73721939      9.49606943    -16.53625734
  H     16.14047701      8.20396161    -11.65991475
  H     10.65775050      6.87583120    -13.37114916
  O     14.87741598      6.23200662     -9.56685665
  H     13.83039529      5.22979071    -12.57695480
  H     10.27447314      8.24141865    -14.05343323
  O     14.71945429      5.42779108    -14.24920717
  H     13.86888575      5.54613326    -11.05781990
  H     13.72527466      9.07492442     -8.80475964
  O     13.00206427      6.85913893    -15.75262715
  H     17.63008947      9.70515757    -10.95814183
  H     12.50193006      8.15276980     -9.03381581
  O     10.90004745      7.50498661    -14.06306673
  H     17.66873958     11.21195650    -10.62850069
  H     14.52751317      8.18351385    -12.96947423
  O     13.34165625      8.22339233     -8.55921463
  H     12.25453615      8.38145016    -13.13605029
  H     15.35856340      7.05050316    -13.62798951
  O     15.42267053      7.94007181    -13.26270988
  H     12.78759446      9.61435395    -12.31227705
  H     13.15984384     11.70892132    -12.23213976
  O     12.71866524     11.26694279    -11.49440211
  H     11.59978705      5.44076184    -11.87311700
  H     13.39340182     11.02990816    -10.84308727
          69
 Energy    -250.70248304901656     
  O     10.69902879     10.15774020    -12.84089673
  H     10.50680029      9.72098281    -13.67855840
  H     15.12262805     12.14740832    -15.68069675
  O     14.49688047      7.35591844    -15.12604585
  H     11.52798953     10.63754654    -12.97617643
  H     15.36992785      8.33113274    -13.82220185
  O     16.97164761     10.26625037    -10.06955896
  H     14.00419574      8.11718889    -15.46122721
  H     15.46724793      9.12239071    -12.47516230
  O     17.18252758      9.69987630    -16.60156792
  H     15.28934393      7.22159733    -15.66047635
  H      9.93028300      8.33445726    -10.35937140
  O     12.99822615      9.61693936    -15.66244455
  H     17.28582073      9.42606571     -9.71225264
  H     10.65650674      8.95523017    -11.57652614
  O     15.72868307      6.24912464     -9.87492667
  H     17.67245166     10.57289484    -10.65636299
  H     18.93861715      7.81023812    -10.86248730
  O     13.61150438      5.85538063    -13.01671379
  H     16.40191733     10.15908143    -16.93438514
  H     18.96368810      7.43104280    -12.36049345
  O     14.50578030      9.94940095    -11.20394980
  H     17.44058031     10.16483014    -15.79357357
  H     11.76871851      6.16433345    -13.24590375
  O     16.10536828      4.72000295    -12.26560191
  H     12.10860292      9.24195693    -15.63593702
  H     10.71658446      6.99547986    -12.48422575
  O     17.48203878     10.86501893    -14.08181489
  H     13.11253783     10.12779466    -14.84559804
  H     20.03604010     11.10673018    -11.62190383
  O     17.05182841      7.03377139    -16.30386141
  H     14.86940415      6.67002782    -10.00734855
  H     19.33771393      9.74750703    -11.85900632
  O     15.24223631     12.43737542    -14.76964235
  H     15.85221468      5.64886953    -10.61970664
  H     17.12468246      7.39019547    -13.25702661
  O     15.98173177      8.72927381    -13.19076883
  H     14.37072384      5.31757666    -12.76463469
  H     17.62917737      6.63377979    -14.49329781
  O     10.64373372      8.18915570    -10.97456808
  H     13.88024906      6.34281337    -13.81061751
  H     17.13091989      7.16357980     -9.46218171
  O     19.38291357      7.99573769    -11.70122697
  H     14.10862534      9.12563167    -10.89153306
  H     18.22549358      7.45662464     -8.41086119
  O     10.89710360      6.57140714    -13.33255025
  H     15.31256149     10.12934481    -10.69721368
  H     14.06776629     10.51933605    -16.78337279
  O     19.20592279     10.71231670    -11.87582310
  H     16.50316333      3.85441347    -12.31548811
  H     14.32371420     11.38440299    -18.03795258
  O     17.65483828      6.62205909    -13.52951384
  H     16.70570845      5.33277730    -12.72233048
  H     13.43160950      6.94308052    -11.53751221
  O     17.92829359      7.69358103     -9.28534542
  H     18.15839594     10.96520875    -13.40261196
  H     12.40349134      7.69876024    -10.66399562
  O     14.74740883     11.01962306    -17.26497299
  H     16.93138876     10.12265747    -13.78828614
  H     13.68426654     10.79216187    -12.55758248
  O     13.33839979      7.46657462    -10.72841300
  H     17.16405755      7.99302087    -16.44074677
  H     13.91057277     11.73195262    -13.77876399
  O     13.27141850     11.13519009    -13.36306489
  H     17.35572592      6.60684811    -17.10006638
  H      9.70333276      8.29293333    -15.70247188
  O     10.49190662      8.49429121    -15.20610090
  H     16.07495690     12.03865735    -14.48095436
  H     10.63284427      7.75195252    -14.59106930
          69
 Energy    -250.70133630693033     
  O     -3.37950353      3.11779145      0.57826683
  H     -3.39910772      4.05566641      0.80087435
  H      1.38649609      3.22891313      4.70767126
  O     -5.44151419     -0.54382822      1.41653886
  H     -3.63227065      2.60136648      1.35812011
  H     -1.47622228      4.25715403     -2.51488315
  O      0.77421246      2.12185039     -2.10971439
  H     -5.13415404     -0.54705533      0.49189693
  H     -1.58922590      3.94809134     -4.02588751
  O     -2.86700392      1.61746535     -1.64993564
  H     -6.36140085     -0.79338854      1.40098577
  H     -2.10786948     -3.38097222     -0.81359874
  O     -0.97385664      1.15496308      5.68596091
  H      0.05425002      2.54059669     -2.59879013
  H     -2.47070721     -2.40621569      0.33186384
  O      2.73315319      3.93147598      1.79923846
  H      0.42443727      1.27871318     -1.79876120
  H     -1.87072605      4.29611373      3.90670650
  O     -0.68192260      3.04368897      1.29989806
  H     -2.48971508      2.22665229     -2.29618381
  H     -0.98779716      4.13415145      2.64242331
  O     -2.86903491      3.09396697      4.75617585
  H     -3.13160048      2.15815482     -0.89071856
  H     -3.30503100      6.60110151      1.44951976
  O     -4.39608977     -0.65551703     -1.08498262
  H     -0.86631901      0.83194167      6.57655048
  H     -2.27804317      5.59048945      2.00527025
  O     -3.89148169      1.41960335      2.68566745
  H     -0.12659937      1.56214901      5.42994171
  H     -1.46172919      0.51073709     -1.20414836
  O     -1.66408070     -0.16274221      3.30662220
  H      2.82581922      3.00460543      2.05036500
  H     -1.11897313     -0.97159255     -0.94915187
  O      1.34165191      2.28136286      4.88280451
  H      2.33578095      4.37164208      2.56011449
  H      0.39675500      5.05345308      3.86014557
  O     -1.51794264      3.53659444     -3.16888235
  H     -0.08360018      3.47968241      0.67647014
  H      1.53869038      5.82681151      4.55848485
  O     -2.19917156     -2.45589083     -0.60240201
  H     -1.56747879      3.02557582      0.91551492
  H     -0.34969320      5.20005977     -0.94213884
  O     -1.28395831      4.77937660      3.30546683
  H     -2.27438271      2.46024274      5.17747402
  H     -1.75035643      5.64781565     -0.45401748
  O     -2.80936355      5.81737130      1.22491809
  H     -3.39203571      2.58207908      4.12583792
  H      0.03877566      0.19720129      0.61053218
  O     -0.72818989     -0.09105340     -1.01007864
  H     -3.71013443     -1.33367353     -1.06538018
  H     -0.01092473      1.45428152      1.49920807
  O      1.33986378      5.01955888      4.09065798
  H     -3.96257972      0.14766080     -1.40447502
  H     -2.56876279     -1.56779007      2.50956780
  O     -1.23968267      5.44069623     -1.24240117
  H     -3.09979518      0.89342609      2.87090418
  H     -3.96173592     -1.71445270      1.86963468
  O      0.30576844      0.53636830      1.47491516
  H     -4.54109439      0.80524741      2.32056532
  H      1.89436863      0.85360232      2.18669702
  O     -3.10009714     -2.14248258      1.94186175
  H     -1.41706312      0.18765748      4.17129426
  H      3.37204432      0.52381480      2.50261688
  O      2.69066068      1.17640499      2.64185395
  H     -0.92828922      0.01146311      2.70352261
  H      1.18559424      3.49462303     -0.99774880
  O      1.11619166      4.25299066     -0.39750386
  H      1.87155198      1.85724703      4.19669214
  H      1.80663559      4.18880711      0.27767510
          69
 Energy    -250.70058624753034     
  O     11.62891981     10.55080744    -10.36321749
  H     12.22846974     10.94947798    -11.00512968
  H     15.22038305     11.72755942    -15.05902932
  O     12.93347718      7.20628848    -14.20236283
  H     10.89933704     10.17691992    -10.87406592
  H     14.47831968      8.13990891    -13.80696125
  O     17.99433561     10.23174923    -11.93783261
  H     13.03280847      6.64705278    -13.41831805
  H     15.39227586      8.86587580    -12.76420232
  O     11.57698795      9.55999976    -13.90519430
  H     13.31739195      6.75584493    -14.96421057
  H     11.97340729      8.72243324     -7.78809550
  O     16.83951027      6.15209945    -10.50096551
  H     18.31879351     10.33935521    -12.83840777
  H     12.04381536      9.28679173     -9.22771283
  O     13.37883569      5.87837505    -11.82260403
  H     18.35092088      9.38405428    -11.63975760
  H     18.20780966      6.82908354    -14.37534469
  O     15.36992187      9.87040104    -11.26101634
  H     11.98935090      8.69584043    -14.05459478
  H     18.99902160      7.37858889    -13.16623367
  O     14.56856042      8.89927322    -17.06178811
  H     10.83503608      9.41321333    -13.30695689
  H     11.66278932      6.39978056    -11.11296879
  O     15.71029122      4.40684864    -12.48056507
  H     16.50260391      5.47388249    -11.09700157
  H     11.32840341      7.32195942     -9.92271514
  O     16.31995398     10.35969524    -15.35880851
  H     16.06658907      6.63566420    -10.17888037
  H     19.01415663      9.08562836    -14.54870937
  O     14.38518298      6.28516072    -16.46473295
  H     14.06610388      5.23003470    -12.01545368
  H     19.85702488     10.30619401    -14.98546365
  O     14.53425499     12.38617157    -14.85602737
  H     13.77434536      6.51150212    -11.20378028
  H     16.18241246      6.93703765    -14.11540285
  O     15.38007393      8.43549269    -13.62748298
  H     14.72920872     10.47508282    -11.65936405
  H     15.86504315      6.01404575    -15.30079124
  O     12.20545174      8.49436472     -8.68396601
  H     16.27288819     10.16799636    -11.44925556
  H     19.68060290      7.44288154    -10.70837754
  O     18.95392545      7.38930792    -14.13218187
  H     13.79749817      9.46404867    -16.90489427
  H     18.20370460      7.08913370    -10.98947392
  O     10.94761938      6.90283006    -10.70562577
  H     15.31006453      9.38363694    -16.68109208
  H     13.16519792     11.39499952    -15.87863370
  O     18.99440320     10.05220628    -14.66946009
  H     15.96115946      3.50433334    -12.65982371
  H     12.10237412     10.34747810    -15.52309003
  O     16.43614384      6.09402697    -14.52690170
  H     16.01222309      4.93976716    -13.23556264
  H     14.84549136      8.45479017    -10.37517759
  O     18.95802287      7.61680543    -11.30606949
  H     17.27792285     10.34862528    -15.24771455
  H     13.79464450      7.86835003     -9.39959188
  O     12.61208876     10.70489284    -16.26247704
  H     15.97228733      9.68571923    -14.75367457
  H     13.74109530     11.79316632    -13.25124217
  O     14.52481475      7.62808095     -9.98167839
  H     14.10096135      5.80144484    -17.23510174
  H     12.73932863     10.64841760    -13.01539500
  O     13.33981884     11.25591057    -12.55759294
  H     14.46429515      7.21981317    -16.73561852
  H     10.10284635      8.21412898    -11.50524300
  O      9.72299169      9.03021444    -11.87735523
  H     14.87353833     13.23219738    -15.13655229
  H      8.77521665      8.94267120    -11.82637800
          69
 Energy    -250.70018551192692     
  O      0.30941206      1.19025458      2.92131905
  H      0.05799949      2.11544581      3.01459367
  H     -3.11392534     -0.77107238      3.59952989
  O     -2.94385858      0.08018836     -3.16564652
  H      0.88735350      1.13920907      2.14592814
  H     -2.85362108     -0.07529291      5.52551350
  O      0.07911496     -0.68917720      4.97159531
  H     -2.41117659      0.66510977     -2.60198173
  H     -2.62849454      0.53211560      6.92938770
  O     -4.32520367     -1.20537554     -1.04405641
  H     -3.13365253      0.56670111     -3.96398108
  H      0.10578795      4.43989379     -0.27498732
  O     -1.15192116     -2.15827005     -2.69293701
  H      0.31856981     -0.03496739      4.30029504
  H     -0.37870184      3.68813346      0.98187413
  O      0.28228213     -0.68770874     -0.84162669
  H     -0.65670726     -0.29754135      5.45586873
  H     -2.87088983      1.35154049     -0.19619034
  O     -4.87052759      1.97615482      2.70587971
  H     -3.68344421     -1.90045655     -0.83245597
  H     -3.97950505      0.29233197     -0.04891837
  O     -2.80167610     -3.68551158      3.74994506
  H     -4.02978121     -0.80729161     -1.87126312
  H     -2.60040280      0.31162521      1.66589179
  O     -0.67667411      3.86321582      2.77964745
  H     -1.63422888     -2.69116059     -2.04668434
  H     -1.29938806      0.36472338      2.54266159
  O     -1.41110540      1.47189369     -1.30782174
  H     -1.78092106     -1.50373552     -3.01827259
  H     -3.09025476     -3.77684862      0.15016777
  O     -6.20708850     -0.50638107      3.29353562
  H      0.11359698     -1.22698688     -0.05625312
  H     -1.79384952     -2.94624908      0.16615930
  O     -3.67590576     -1.08037735      4.32908652
  H     -0.04046758     -1.20764419     -1.59117271
  H      1.22276615      2.11899104      0.25216239
  O     -2.29350949      0.53483471      6.03611944
  H     -5.40691868      1.20821047      2.93313520
  H      1.36313253      0.60741262     -0.03043279
  O     -0.13247504      3.57451684      0.05017964
  H     -4.52085036      1.79351123      1.82304011
  H     -3.46893917      2.49844988      3.69990555
  O     -3.60439399      1.07949538      0.36971320
  H     -3.15616399     -2.84312639      4.06479028
  H     -2.50797257      2.05123958      4.83432902
  O     -2.05981314     -0.17938305      2.29725998
  H     -1.84320857     -3.61376632      3.82733065
  H      0.71244872     -3.70322747      4.27554824
  O     -2.52055839     -3.23175933     -0.40653240
  H     -0.33925854      4.57449295      3.31824483
  H      0.05308270     -2.30611377      4.31440949
  O      1.67833066      1.32068388      0.54216560
  H     -1.44780902      3.50112008      3.25579281
  H     -0.22904034     -2.67567811      2.08364975
  O     -2.64777798      2.72558342      4.16194285
  H     -1.00128021      2.26113058     -0.93417889
  H     -1.16051939     -1.53374486      1.63910743
  O      0.01488730     -3.18135450      3.88841856
  H     -0.82277404      0.72723353     -1.10862823
  H     -4.47090035     -5.33897753      1.65882091
  O     -0.57363218     -2.22989996      1.30258990
  H     -7.11371238     -0.58910542      3.57613092
  H     -3.65984969     -4.21098118      2.33948272
  O     -4.16169933     -4.44524281      1.53785266
  H     -6.10489882     -1.07917374      2.51188196
  H     -5.46258908     -1.78204038      0.33667030
  O     -5.79417517     -2.12775840      1.17487707
  H     -4.58983982     -0.90384303      4.07407403
  H     -5.31606844     -2.95214302      1.32790013
          69
 Ord_Energy   -250.664490    
 O   -1.69065046       3.38793755       5.51039410    
 H   -2.03574586       4.13193035       6.03704453    
 H  -0.800349414       3.22762012       5.81154585    
 O   -4.69911718       1.86148310       3.21116042    
 H   -5.06461430       1.78571200       2.31796336    
 H   -4.08226681       2.60485625       3.17914701    
 O   -5.75088930       2.24743938      0.683525920    
 H   -5.06601048       2.87187505      0.413894743    
 H   -6.53158283       2.78241539      0.876565456    
 O   -10.3646975       6.24115992       5.01195908    
 H   -11.1358690       6.68379307       5.35706615    
 H   -9.97210979       5.75140190       5.75925589    
 O   -6.04026318       8.21493435       6.83294296    
 H   -6.40228701       7.69946289       7.56276464    
 H   -6.66471529       8.09736633       6.10320663    
 O   -3.49153996       7.98642349       5.93581772    
 H   -4.39300537       8.09784412       6.28873825    
 H   -3.05436921       8.82755280       6.03592348    
 O   -7.81611824       7.69631577       2.07013631    
 H   -8.57188892       7.10497808       1.97070730    
 H   -7.05935431       7.23445225       1.68577707    
 O   -7.17162991       2.82383680       4.06368637    
 H   -7.47378492       3.21597409       3.23358965    
 H   -6.32744122       2.39687681       3.86394691    
 O   -8.13096809       2.54722452       6.67733097    
 H   -7.91552067       2.51802373       5.73474979    
 H   -7.34569597       2.22006321       7.12990904    
 O   -2.86690736       4.02967167       3.04771781    
 H   -2.32845950       3.75935292       3.80185604    
 H   -3.28528976       4.86449862       3.30735445    
 O   -9.15610504       5.07697153       7.08080626    
 H   -8.83391762       4.16695547       6.99316168    
 H   -8.54440308       5.53627634       7.66473532    
 O   -3.83048248       1.49670768       5.84313965    
 H   -3.06275129       2.07866931       5.79983759    
 H   -4.15771532       1.42621624       4.93654633    
 O   -5.60278463       1.80581832       7.85638905    
 H   -5.49223471       1.09581876       8.48273182    
 H   -4.97068882       1.64101970       7.13333368    
 O   -7.68781281       4.13022184       1.67564344    
 H   -8.51581860       4.60436201       1.81661689    
 H   -6.99124384       4.80002737       1.61817074    
 O   -4.21546125       6.31311274       3.79863715    
 H   -3.86252427       6.98865509       4.38762903    
 H   -4.89292288       5.84413958       4.31289530    
 O   -6.20587921       5.14289141       5.21430397    
 H   -6.83219147       5.87349176       5.12474728    
 H   -6.60101652       4.34523821       4.83923197    
 O   -5.61702108       6.03008413       1.42172408    
 H   -4.99399996       5.52317810      0.888302803    
 H   -5.14295530       6.25191069       2.23676085    
 O   -7.78468895       7.42946911       4.80667496    
 H   -7.71615124       7.64242029       3.86449742    
 H   -8.69572735       7.15755653       4.96260166    
 O   -7.13091803       6.35716391       8.72821808    
 H   -7.16579866       6.39267778       9.68091488    
 H   -6.44828939       5.70339680       8.49739647    
 O   -5.30851126       4.57843637       7.75268555    
 H   -5.39578390       3.62791991       7.89651871    
 H   -5.62252569       4.75930166       6.85152197    
 O   -2.75255179       5.40995979       6.95419741    
 H   -2.90629268       6.30989456       6.64448357    
 H   -3.58480835       5.12184191       7.35320282    
 O   -9.94194794       5.72002602       2.29251194    
 H   -10.7974682       5.67288685       1.87156940    
 H   -10.1061974       5.83714628       3.24144053    
 O   -3.66141558       4.23294210      0.396076590    
 H   -2.93793011       4.26815701     -0.224867016    
 H   -3.26717973       4.11694145       1.27660847    
          69
 Energy    -250.70012424097675     
  O     10.27177690     12.64798516    -11.26227996
  H     10.56409702     12.09059434    -12.00399743
  H     10.79544237     11.41583676     -9.91173357
  O     13.07618045      7.47465217    -16.15933752
  H      9.37786064     12.91929426    -11.45420971
  H     14.40594493     10.81973278    -13.71430776
  O     10.95517299      7.97694447     -9.85713486
  H     13.09489267      8.44354390    -16.25555746
  H     14.14092960     12.33198951    -13.52407506
  O     13.61795982      7.20636365    -13.41607342
  H     13.42330821      7.11064003    -16.96918464
  H     17.96468084      7.95062005    -11.38300712
  O     13.86198172     13.74930278     -8.17981106
  H     10.85639076      8.90031309     -9.58823053
  H     16.48012449      7.58164982    -11.14820747
  O     12.91629793     10.19502581    -16.32201302
  H     11.83283493      7.72087316     -9.54512947
  H     14.62795861      6.77924918    -10.43338835
  O     11.21960151      8.29161314    -12.56944476
  H     13.51320649      7.15926164    -14.37426330
  H     14.62945703      6.50023579    -11.95433296
  O     14.90413077      9.18646257     -7.06442917
  H     12.77323889      7.52422762    -13.06282716
  H     14.11658983      8.12499076     -8.40662058
  O     13.69052276     10.28910863    -10.70374445
  H     13.31584668     13.94787114     -8.96195057
  H     13.72154967      8.68261413     -9.77909854
  O     13.06630718     11.16738575     -7.29342079
  H     13.94614851     14.56189032     -7.68844366
  H     10.74604633     10.92325301    -14.12534494
  O     14.72987029     13.60818825    -12.29752506
  H     13.32188747     10.75090385    -15.64419629
  H     12.12951578     11.25058036    -13.49661336
  O     11.27978018     10.74272775     -9.42248718
  H     11.96922421     10.37547886    -16.27795521
  H     16.05708739     11.65265067     -9.62588625
  O     13.85380418     11.55604560    -14.01991586
  H     11.22346076      9.24895289    -12.68785199
  H     15.07458389     12.82478191     -9.26789287
  O     17.10854023      8.32533327    -11.19306557
  H     11.04212940      8.11073284    -11.63523532
  H     15.93685518      9.15829018    -12.40658627
  O     15.17218725      6.43813068    -11.15803424
  H     14.24265877      9.90165295     -7.09483118
  H     14.67900885      8.62432379    -13.15007184
  O     13.72771514      7.87043006     -9.25167021
  H     15.03803164      8.97570946     -6.14446655
  H      9.34753211     10.59689977    -16.32584259
  O     11.20306751     11.06692646    -13.28608623
  H     14.10628490      9.97991855    -11.51737790
  H     10.10223730      9.44505217    -15.61664851
  O     15.49684389     12.35244694     -9.99633046
  H     14.26523903     10.98614344    -10.36284898
  H     16.20954040      9.76703007     -8.33650763
  O     15.16741934      9.42929896    -12.92133122
  H     12.33319854     10.99030893     -7.89801337
  H     16.89512518      9.49751987     -9.70345297
  O     10.10170874     10.40709784    -15.77536180
  H     13.33346179     12.07656511     -7.47276409
  H     13.17443483     14.05922118    -11.22435879
  O     16.75717867     10.16798229     -9.02297761
  H     15.09541455     13.14479384    -11.52339043
  H     11.73579882     13.71615516    -10.76971441
  O     12.53868602     14.18416642    -10.50982055
  H     15.35475092     14.29254117    -12.52592574
  H     11.21647359      7.50887618    -15.58753785
  O     10.37928542      7.78224186    -15.19321891
  H     12.09012855     10.57997385     -9.93227614
  H     10.53684787      7.81226893    -14.23834302
          69
 Ord_Energy   -249.623871    
 O    2.68844509       1.02306652       7.87281513    
 H    3.50782800       1.33515501       7.46162891    
 H    2.78948379       1.14962161       8.82397652    
 O    3.46569371      -1.76778686       10.3618708    
 H    2.91563964      -1.91946101       9.58379173    
 H    3.33808732     -0.838162661       10.5846462    
 O   0.649797618      -1.71991694       5.46318293    
 H   0.694204092     -0.745950639       5.49474669    
 H  -0.258803129      -1.94811761       5.28482628    
 O    5.10487509       1.72873843       6.73102999    
 H    5.12140703       1.63751328       5.77066565    
 H    5.54220152      0.931710005       7.07107830    
 O    8.01632690      0.702325165       4.83786964    
 H    7.15148640      0.969843864       4.50386858    
 H    8.10054111     -0.233842760       4.62150764    
 O    5.19523335      -1.80598950       4.35285521    
 H    6.13111687      -2.00565386       4.23613501    
 H    4.95140553      -2.14550257       5.22724152    
 O    2.61503243       1.28527832       3.19341612    
 H    2.56904531      0.311991662       3.15405178    
 H    2.24073243       1.61172676       2.37926579    
 O    6.09705257     -0.586768270       7.83121824    
 H    5.97340012     -0.293142557       8.74158478    
 H    5.44624758      -1.27283657       7.62966442    
 O    7.96811724     -0.900317311       11.1641159    
 H    8.53729630     -0.840262651       10.3761120    
 H    8.54832649     -0.954107225       11.9187346    
 O    9.43431187     -0.739322484       8.88422871    
 H    9.40446949       5.85091114E-02   8.34040451    
 H    9.15655804      -1.45926237       8.30391884    
 O    5.98652792      -2.90309381       10.5098610    
 H    6.62571859      -2.24752331       10.8066530    
 H    5.10612392      -2.49875164       10.5441008    
 O    2.18337655      -1.73546135       7.81898689    
 H    1.57825589      -1.87979102       7.08109474    
 H    2.36244369     -0.782876849       7.83472872    
 O    8.00495243      -2.46188998       7.16949368    
 H    7.55784369      -3.23841190       7.52800512    
 H    7.43274164      -1.70628989       7.38483286    
 O    1.03199470      0.961071134       5.58671761    
 H    1.57811022       1.23845100       4.84145975    
 H    1.54218352       1.12895870       6.39057541    
 O    6.28451633      -4.39655209       8.32279015    
 H    6.19421482      -3.90151548       9.15978146    
 H    6.29108191      -5.32211876       8.54792881    
 O    5.27770090      0.991743982       4.07046556    
 H    5.23655272       2.96949502E-02   4.17881298    
 H    4.43169308       1.24941278       3.68474936    
 O    9.21528721       1.51178336       7.15040493    
 H    9.96305656       2.04399419       6.88887978    
 H    8.77432442       1.23672056       6.32758904    
 O    4.56110859      -2.70310855       6.87032509    
 H    3.69134212      -2.51291704       7.24796820    
 H    4.99308681      -3.40494061       7.37154198    
 O    3.32142997       1.08155429       10.6232824    
 H    4.29334688       1.05559850       10.5592947    
 H    3.10760427       1.65452850       11.3546400    
 O    2.58580828      -1.42783332       3.33450365    
 H    3.47347879      -1.69547343       3.60821819    
 H    1.98089230      -1.69584799       4.03649616    
 O    5.99502230      0.858460724       10.2980785    
 H    6.41198921       1.56267238       9.77618313    
 H    6.68928337      0.342676312       10.7250605    
 O    8.01661110      -2.13852453       4.44923830    
 H    8.67146111      -2.68046522       4.01687050    
 H    8.08358669      -2.31929398       5.40252733    
 O    7.02196789       2.68625474       8.55169868    
 H    7.81944227       2.35237360       8.12172318    
 H    6.32477713       2.61576843       7.88509178    
          69
 Energy    -250.69509097679480     
  O     -3.53641778     -0.42699791      0.10448776
  H     -2.88371426     -0.58357254     -0.59655045
  H     -4.34214587     -3.43460840      1.08667252
  O     -1.73776729      2.69880994      1.34427023
  H     -3.86384856      0.46928557     -0.03234952
  H      1.55531789     -0.22220720      2.54659521
  O     -0.83670791     -0.25485294      4.93472393
  H     -2.53087743      2.77687472      0.80189697
  H      1.96959731      0.66687789      3.75247553
  O      2.63446630     -3.17672690      0.51912193
  H     -1.84459013      1.87308589      1.83936690
  H      1.27862429     -4.10955433     -0.01861674
  O     -1.71575962     -0.91326054     -1.93415164
  H     -0.46901814     -1.14384163      4.82333524
  H      0.76658469     -5.52626025     -0.35978451
  O     -3.93031181      2.34184068     -0.45542084
  H     -1.45875935     -0.12028927      4.20903691
  H     -2.69902368     -0.06969480      1.74594209
  O     -2.04898869      1.86328900     -2.34478019
  H      2.99222594     -2.41502865      0.04811902
  H     -1.22152280     -0.14000363      2.16952120
  O      0.21211991      2.41654444     -0.68086679
  H      2.77590969     -3.01373384      1.45971733
  H     -2.49038095     -3.62217403     -0.80894852
  O      3.53804013     -0.84503983     -0.87652741
  H     -1.79961462     -1.87606094     -1.97458991
  H     -1.04570885     -3.98134225     -1.20387221
  O      0.81382006     -0.24190979     -1.10714852
  H     -0.79195001     -0.73260362     -1.70672995
  H     -1.81553894     -3.30810419      1.60642551
  O      0.25262550     -0.85914332      1.53006888
  H     -4.65174164      2.88072124     -0.76808548
  H     -0.44777208     -3.92905846      1.21199327
  O     -3.49778625     -3.09663946      0.79815686
  H     -3.31549925      2.23138042     -1.20406062
  H      0.68845358      2.95620833      3.48266086
  O      2.31572697      0.08023509      3.07015171
  H     -1.98409405      0.90072816     -2.41385184
  H     -0.27947138      3.37137792      2.34433999
  O      0.47902358     -4.62723838     -0.22225129
  H     -1.20939143      2.15923733     -1.97043439
  H      2.85374662     -1.59846607      3.28848542
  O     -2.09047556      0.19314644      2.44664004
  H      0.98445356      2.90813109     -0.37715560
  H      3.77070024     -2.72396716      3.81840064
  O     -1.87696767     -3.63636652     -1.55333159
  H     -0.44495628      2.48397206      0.02686159
  H     -0.21567957     -3.11499717      3.60876824
  O     -0.89411937     -3.39259201      1.88034924
  H      3.66098582     -0.10649465     -0.25210031
  H      1.19667090     -2.79486674      4.10943734
  O      0.59917434      3.53064762      2.71275679
  H      4.27253945     -0.82081937     -1.48362937
  H      1.15191474      2.02924716      5.78170631
  O      2.98626975     -2.56170590      3.29976483
  H      0.70975041      0.71461796     -0.98997575
  H      0.28727967      1.03625543      4.96913204
  O      0.26936203     -2.76687135      4.36905040
  H      1.75486159     -0.44212317     -1.16945923
  H      3.31125764      2.05635234      0.77510017
  O      0.96940670      1.72947476      4.89545391
  H     -0.05459342     -1.76884538      1.64033285
  H      3.28927567      0.83257334      1.71324903
  O      3.67649831      1.17193853      0.89425425
  H      0.44284529     -0.71508385      0.59457415
  H      1.77131940      3.66046070      1.44677393
  O      2.34834123      3.67476897      0.66065394
  H     -3.63293792     -2.16002899      0.57980909
  H      2.70767043      4.55562668      0.59950379
          69
 Energy    -250.69469982778207     
  O      1.16896536      0.39435148      5.31939251
  H      0.51748425     -0.30791687      5.49638649
  H     -5.42703088     -0.67981323      3.19720100
  O      1.37758717     -0.34805388     -2.52546431
  H      1.77138905      0.39828101      6.05925256
  H     -0.55564159      2.43604748      1.67035824
  O     -0.72362203     -1.50084624      5.78390861
  H      1.95113519      0.35755264     -2.19991741
  H     -1.51002321      1.53701075      2.46986752
  O     -0.89451133      0.02203413     -0.88325329
  H      0.50281846     -0.16791845     -2.15510544
  H     -4.01418878     -0.69172640      4.88012459
  O      2.14184749     -2.64247641     -1.28512764
  H     -1.60429675     -1.10312186      5.72586519
  H     -3.31938718      0.57902675      5.48142781
  O      3.50782248     -0.72870134      0.44869630
  H     -0.80798474     -2.36819931      5.37349197
  H     -1.22952574     -0.87611980      2.68558492
  O     -3.99965808      2.79095564      3.06333185
  H     -0.38084190      0.61453923     -0.31603049
  H     -2.34369383     -0.24711668      3.57519135
  O     -3.53504320     -3.41323175      2.99776311
  H     -1.81206395      0.04994398     -0.58344834
  H      0.41329393     -2.84556526     -0.62919367
  O     -0.67736668      2.57308347      5.03858999
  H      2.66904226     -3.20466678     -1.84684336
  H     -0.63379838     -1.71539115     -0.50339820
  O      3.03329148      1.47126374     -1.07742116
  H      1.90611028     -1.85799102     -1.81428214
  H      1.23726161     -0.92687982      2.53798733
  O     -5.36619571      0.59817661      2.06144919
  H      3.03121517     -0.58444339      1.27780615
  H      1.70645208      0.14911945      3.53308945
  O     -5.38335533     -1.40337611      3.84957507
  H      3.08609306     -1.47546768      0.00820440
  H     -3.44970605      2.95512396      6.55708538
  O     -1.27516566      2.46547892      2.31117941
  H     -3.11543016      2.86574021      2.68183956
  H     -2.30564958      2.49503003      5.62027985
  O     -3.18077807     -0.34064736      5.21780138
  H     -3.86323643      2.74640178      4.01673174
  H      1.54227480      1.75578502      0.05416861
  O     -1.91036192     -0.19376925      2.71412625
  H     -3.46638553     -3.38308944      2.03615500
  H      1.14456400      1.05348791      1.37652976
  O     -0.46841571     -2.64773722     -0.29009713
  H     -4.19250512     -2.75583746      3.25568556
  H     -2.07052285     -3.74404508      3.85202869
  O      1.79503407     -0.13765446      2.61666673
  H     -0.01851869      1.88052843      5.16175579
  H     -1.16316694     -4.79333058      4.53980387
  O     -3.25238829      2.37920053      5.82391709
  H     -0.78702958      2.67372344      4.08228998
  H     -0.13693273     -2.48180880      1.49402269
  O      0.80844044      1.61745403      0.66413498
  H      3.81122650      1.99581721     -1.24453304
  H     -0.29086904     -2.88993436      3.00251301
  O     -1.19048134     -3.88708460      4.24626439
  H      3.31413015      0.70983705     -0.53730639
  H     -2.17532277     -3.17439907     -0.03927851
  O      0.03849300     -2.20852246      2.40348081
  H     -4.83316822      0.33114081      1.30323792
  H     -3.48211575     -3.85114558     -0.50874219
  O     -3.12029763     -3.27604568      0.16160743
  H     -4.97122682      1.41919308      2.39197555
  H     -2.90043590     -0.33159666      1.22128714
  O     -3.35050796     -0.43360482      0.36621365
  H     -6.27959889     -1.58545873      4.11820431
  H     -3.44135534     -1.38306225      0.22476096
          69
 Energy    -250.69430371549777     
  O     -3.23680625      1.66516077      1.09553177
  H     -2.27923423      1.62334388      0.92394299
  H      2.23444980     -0.31022340      3.21303524
  O     -3.02960388     -2.25560139      7.15273054
  H     -3.53367446      2.51667681      0.78531025
  H     -0.64402421     -1.28957612      0.99437256
  O      1.13973256      1.26886814      2.91055100
  H     -3.60663636     -1.56982336      6.79420475
  H     -0.80302430     -1.03133194      2.53604673
  O     -3.69865652      0.12771417      3.37949570
  H     -2.15949686     -2.11843298      6.75331421
  H     -2.08255051     -4.27088447      0.88863382
  O      2.08525599     -2.51751069      5.75777402
  H      0.37555753      0.91961975      3.40286997
  H     -1.73874463     -3.12331038      1.84827509
  O     -3.77114545     -4.64566770      6.09584125
  H      1.42164491      2.05913900      3.36601765
  H      1.58196958     -3.86389592      2.55481200
  O     -0.67249978     -2.15012762      5.62953901
  H     -3.92023757     -0.72856271      2.98134854
  H      0.80375540     -2.68155570      1.92130821
  O      1.28625981     -4.76009423      4.08772353
  H     -3.61915171      0.75990541      2.65397842
  H     -3.76230974     -2.93389624      2.04451809
  O     -5.58710495     -2.98396495      4.61271624
  H      2.81004007     -2.48794093      6.37607819
  H     -4.96112339     -2.59080556      2.97733988
  O     -0.57718200      1.45641584      0.61246104
  H      2.34729308     -1.97970692      4.98916156
  H      1.51759863     -3.33524509      0.10459834
  O     -1.45274469     -4.30966952     -0.83822435
  H     -4.00651155     -5.29174658      6.75653403
  H      2.03332386     -3.64398679     -1.31920758
  O      2.66135235     -1.12719922      3.49319661
  H     -3.52162400     -3.83237518      6.57132372
  H     -0.88266716     -0.68264763      4.65967419
  O     -0.69676055     -1.71044249      1.86168556
  H     -0.96237151     -2.94031192      5.15005644
  H     -1.95941249      0.14482793      3.88879739
  O     -2.27411763     -3.92937025      1.77195156
  H      0.27163861     -2.25541206      5.80282320
  H     -1.04769757     -1.18622244     -1.28912088
  O      1.62532293     -3.19261756      1.85848769
  H      0.33232463     -4.83274519      4.22632431
  H      0.38186459     -1.63244580     -0.90677252
  O     -4.44466747     -2.27240664      2.22331509
  H      1.60659760     -4.14038909      4.75390802
  H     -3.20445046     -1.53336700     -1.33769001
  O      1.29115433     -3.28463591     -0.84025184
  H     -5.05354558     -3.64817748      5.06647969
  H     -3.00408246     -1.87018774     -2.83437732
  O     -1.01007103      0.05008893      4.03880899
  H     -5.47269493     -2.16909404      5.11607598
  H     -5.39592249      0.23054106      6.14829073
  O     -0.25314818     -0.91113826     -0.81099542
  H     -0.35915266      0.74635649     -0.00705339
  H     -4.44555411     -0.15021048      4.99232872
  O     -2.58324798     -1.92106835     -1.98058108
  H      0.09675873      1.44021364      1.30164898
  H     -2.30316093     -4.68564900      4.92303987
  O     -4.81942906     -0.46122928      5.83276609
  H     -0.51352093     -4.09538991     -0.87854705
  H     -1.83637296     -4.41903606      3.46142798
  O     -1.53165299     -4.49086809      4.37726694
  H     -1.90141287     -3.58204030     -1.28746353
  H     -3.89830331      0.07711793      0.22693946
  O     -4.15817269     -0.78219506     -0.12303463
  H      2.45610423     -1.79268316      2.82264419
  H     -4.39145426     -1.32939226      0.63969787
          69
 Energy    -250.69344758205673     
  O     13.72872598     11.17927829    -14.62733618
  H     13.79489216     10.37604575    -15.16129046
  H     20.33778645      6.79398819    -15.04249223
  O     16.80488054      6.59405609    -13.33292737
  H     14.43935513     11.75173987    -14.94019592
  H     17.94839975     10.56842554    -17.14254719
  O     19.06597958      9.98344598    -11.88978901
  H     17.60333451      6.61833344    -12.79281884
  H     16.60552914     10.33352170    -17.86042096
  O     19.18138973      9.47722987    -16.28480782
  H     16.85808358      7.36672354    -13.91713513
  H     16.84987357      9.64439578    -14.20945935
  O     15.49803355     10.01219589     -9.55270662
  H     18.89731548     10.06392195    -10.94270096
  H     17.61058733      9.01239269    -15.39882352
  O     14.46938774      7.38171563    -12.14311211
  H     18.33098687     10.43340038    -12.33371518
  H     18.02608452      8.12631583     -9.25366192
  O     16.91580149     11.12086287    -13.14665551
  H     19.76798788      9.70758597    -15.55343666
  H     18.29949375      6.98995716    -10.25134583
  O     17.08193076      6.57385109    -17.45255162
  H     19.43594846      8.59324840    -16.58307516
  H     12.21641008      6.40521147    -14.28915124
  O     15.07668064      7.17365482     -9.41348262
  H     15.24353113      9.09551156     -9.38959328
  H     13.48562057      6.91462688    -13.57049569
  O     19.68725576      6.79373571    -16.85635678
  H     15.08516278     10.24848728    -10.39377746
  H     20.26206739      9.95267743    -13.21958534
  O     15.50034966      5.38690777    -15.49530667
  H     14.54117747      7.25170796    -11.18967196
  H     21.59445230     10.40540680    -13.85539790
  O     20.69747613      6.97966573    -14.16665267
  H     15.30731409      7.07205989    -12.52221634
  H     19.06753831      8.09215375    -11.90900407
  O     17.14133746     11.01372101    -17.43547944
  H     16.07979691     10.87810129    -12.72102499
  H     19.73049307      6.90523929    -12.64151535
  O     16.85440788      8.89007745    -14.81222197
  H     16.71136659     11.72590983    -13.87150148
  H     17.22518017     10.12597754     -9.33742631
  O     17.78777157      7.21491856     -9.46279716
  H     16.49108360      6.11552781    -16.83715960
  H     18.41722923     10.56492129     -8.45411829
  O     13.10865809      6.70563436    -14.44164765
  H     16.57910026      7.29544073    -17.84318199
  H     14.96898664      8.80928890    -17.57786569
  O     20.81960849      9.87086566    -14.01102582
  H     14.77328953      6.62909436     -8.69221448
  H     14.92147665      8.80268698    -19.12360453
  O     19.12500269      7.12708813    -11.91899918
  H     16.04848490      7.10020086     -9.43044279
  H     14.43968836      9.25567291    -12.22192298
  O     18.19126401     10.05688048     -9.22856849
  H     18.74723656      6.64768434    -17.06983721
  H     14.07772705     10.58439022    -12.96005337
  O     15.51834102      8.83896769    -18.38014748
  H     20.19099660      6.31952133    -17.51241806
  H     16.48220716     12.02166305    -16.17178367
  O     14.49958133     10.21866550    -12.16823340
  H     14.60893166      5.66450058    -15.26167300
  H     16.20379632     13.46503269    -15.69537880
  O     16.13924889     12.55137375    -15.43025507
  H     16.03527714      5.59824368    -14.71698109
  H     15.20891506      8.76639123    -15.53881935
  O     14.32161846      8.75296429    -15.93213575
  H     20.89071640      7.92504100    -14.15953861
  H     13.83055988      8.04308505    -15.50133430
          69
 Energy    -250.69261515909469     
  O     14.01004769     11.67656272    -11.19293127
  H     14.26452583     11.18668465    -10.40313124
  H     16.76305145     10.28734965    -16.05007569
  O     15.54993617      7.55401585    -15.37988749
  H     14.82033124     11.75659858    -11.71554706
  H     17.64679139      8.34656076     -9.92019246
  O     15.28992908      5.57240876    -11.23911117
  H     14.61057183      7.74520135    -15.50789414
  H     18.04608830      9.75493711    -10.44998080
  O     17.70912752      6.42602896    -10.20611552
  H     16.08920662      8.19714639    -15.85824482
  H     15.75439849      8.40214631    -13.79411335
  O     15.76959607     11.51272558    -15.41699831
  H     14.59597869      4.90666920    -11.32218149
  H     16.91050395      8.26410610    -12.79543892
  O     11.35733351      5.58468845    -12.86789459
  H     14.84438849      6.42240515    -11.10113404
  H     11.19090190     11.75668903    -12.59053463
  O     12.81822808      7.91100836    -15.32502677
  H     16.86261653      6.05109459    -10.50216952
  H     12.61440619     11.33013252    -12.16145801
  O     14.23417098      8.08483387    -10.99858437
  H     18.07068612      5.81561089     -9.56793373
  H     14.93049286      4.19109498    -14.42359705
  O     19.14908258      9.36289748    -14.09137907
  H     15.99179592     11.69109881    -14.49510526
  H     13.77290229      3.64204852    -13.57457291
  O     12.05002606      5.22236081    -15.63253904
  H     14.82182815     11.31201648    -15.43628227
  H     12.94232666      9.81547253    -15.48748410
  O     18.38192491      6.98867543    -12.87689273
  H     11.44872497      6.53597267    -12.72374383
  H     12.66438506     10.93768549    -14.47131882
  O     17.29870063      9.52191394    -16.33210502
  H     11.42630557      5.45411602    -13.82166123
  H     15.94406352      5.48379338    -13.03080378
  O     17.50468530      9.29214306     -9.79857712
  H     12.50693922      7.02994378    -15.56716631
  H     16.04059162      6.08975694    -14.47162264
  O     16.05803551      8.69576404    -12.92508086
  H     12.56475469      8.04115875    -14.39930401
  H     12.45748070      4.48849454    -12.08768782
  O     11.86050297     11.09268638    -12.73089049
  H     14.35722524      8.67456161    -10.24586766
  H     12.67096928      3.18743687    -11.27761879
  O     14.05817370      3.78161649    -14.48578783
  H     14.87235906      8.36603083    -11.67500860
  H     19.77450912     11.26678432    -11.62867104
  O     13.11753509     10.74566354    -15.30089110
  H     18.57087169      9.43723719    -14.85909732
  H     19.08099743     10.31089485    -12.62498955
  O     16.34081818      5.36088509    -13.90479112
  H     19.04608479      8.45876464    -13.76115918
  H     11.82528175      9.24360447    -12.66981314
  O     13.13361686      3.86771393    -11.75931179
  H     12.79702971      4.68937640    -15.30671399
  H     12.76200889      8.19775442    -12.02582745
  O     18.97089701     10.77502593    -11.77571853
  H     11.63616188      4.71906410    -16.32850925
  H     15.90952624      9.79399715     -9.31129532
  O     12.03742118      8.30163836    -12.65907110
  H     18.35559029      6.75659620    -11.94089953
  H     14.94672724     10.12452910     -8.14602092
  O     14.97988731      9.98282641     -9.08796627
  H     17.84931671      6.32558981    -13.33739697
  H     16.18963309     10.50230398    -12.78952861
  O     16.36326093     11.44801116    -12.65999726
  H     17.63225620      9.72460667    -17.20187597
  H     17.26209660     11.48491049    -12.31600258
          69
 Energy    -250.69243859584066     
  O     10.30284748     12.49654224    -12.30446459
  H     10.05341492     11.74119214    -11.75865146
  H     10.24574463     10.44214575     -9.73183189
  O     15.06376880      8.31968241    -17.04135146
  H     10.50918866     12.15317032    -13.18212353
  H     12.66194258     12.49661215    -14.33892175
  O     12.08481118      9.06279353    -11.43964889
  H     15.39201347      7.61532972    -17.59309830
  H     13.52119272     12.33858545    -13.07436456
  O     15.29254445      9.38412216    -14.43594282
  H     14.09165524      8.25603722    -17.05134744
  H     16.80472534     10.95788926    -12.23682941
  O     12.90658047     12.74634580     -9.34778619
  H     12.61567903      9.86863883    -11.56131085
  H     15.97724313      9.74132639    -12.71835168
  O     14.64485265     11.14448260    -17.48159676
  H     11.19561014      9.35741087    -11.20413899
  H     13.73977326     14.41897820    -12.97296559
  O     12.52032255      8.99762641    -14.16550821
  H     15.45524281     10.31007548    -14.67146086
  H     13.04302260     15.03500039    -11.76189076
  O     13.40542174      8.61256528     -9.03830427
  H     15.35273825      8.88721321    -15.26132373
  H     17.12427925     13.09167079    -12.34161985
  O     13.65431234     11.29629087    -11.62850321
  H     12.45958041     13.48481756     -9.78193175
  H     18.50525686     12.75606732    -12.95824456
  O     11.40392403     10.61384540     -8.43358452
  H     13.77695932     13.02599957     -9.03813319
  H     11.31189657     11.43679363    -15.76890625
  O     16.22576181     14.00924571    -11.23512933
  H     15.12533272     11.57503375    -16.76198897
  H     11.63217716     10.57472258    -14.53478850
  O      9.73344798     10.29524027    -10.54779124
  H     14.90480716     10.21589299    -17.45184640
  H     16.05988484     13.18414328     -7.83608756
  O     13.45330748     12.83531555    -13.90473194
  H     13.47499918      9.15167332    -14.20108122
  H     15.68412427     12.01430158     -8.77824646
  O     16.24769571     10.22974251    -11.92947703
  H     12.30116354      8.81527831    -13.24371962
  H     16.49131444     12.28222880    -14.46653867
  O     13.87477877     15.04590036    -12.24875452
  H     12.97123331      8.64727885     -9.90642709
  H     14.96594931     12.42942197    -14.71373034
  O     17.59121370     12.48677970    -12.94889807
  H     13.45123316      7.69108624     -8.79365675
  H     11.62311146     11.60916663    -18.34666931
  O     11.23659041     11.41584509    -14.80655669
  H     14.57593303     11.00877674    -11.60770364
  H     12.89145072     11.25404627    -17.53833423
  O     15.59580051     12.97533920     -8.64227240
  H     13.46137730     11.79110315    -10.82159305
  H     16.05151974     10.15703943    -10.07459045
  O     15.78354058     12.05759985    -15.08147819
  H     12.05743252      9.90539300     -8.42675344
  H     14.96505766      9.73529758     -9.06155642
  O     11.91895826     11.19835543    -17.53866603
  H     11.89992898     11.41825680     -8.64794945
  H     11.01456011     13.83756032    -11.43680091
  O     15.72804751     10.31403656     -9.17691358
  H     15.42749499     14.45547519    -11.55481835
  H     10.72804069     15.16559382    -10.69898029
  O     11.41702321     14.53393926    -10.88668631
  H     16.05015266     13.72844003    -10.33102989
  H     12.06447185      9.27785363    -17.22103824
  O     12.34807253      8.41657431    -16.89121204
  H      8.86032682     10.02024437    -10.28141881
  H     12.26823386      8.47256498    -15.92782990
          69
 Energy    -250.69185189283337     
  O     11.23238205      8.64362991    -14.68293749
  H     11.89171197      8.35658431    -15.32846578
  H     17.10279413      6.84024870    -15.17527047
  O     16.99546967      7.42558520    -13.43855067
  H     11.25722568      8.00474180    -13.96064963
  H     12.97849238     11.69388865    -15.53357482
  O     15.92289006     11.45664699    -11.73731604
  H     16.47800521      7.02038420    -12.72913235
  H     14.50012183     11.97517624    -15.58421485
  O     15.99706705     11.79886427    -14.52480036
  H     17.47583727      8.17500484    -13.06193381
  H     15.66707105      8.51179196    -14.04352910
  O     14.34543291      5.45657555    -16.06733196
  H     16.07062126     11.43906594    -10.78388721
  H     15.36677746      9.96109016    -14.53774161
  O     14.84479904      8.58565945     -8.60330065
  H     15.01834934     11.13968750    -11.87753091
  H     12.15797025      6.15486071    -12.87492262
  O     15.35404170      6.43444124    -11.46378777
  H     16.00357098     11.89308305    -13.56310645
  H     10.70765340      6.14227009    -12.33633858
  O     13.46110024     10.38964990    -12.39982690
  H     16.90341225     11.60536527    -14.79646701
  H     17.94160432      8.30732130     -9.63558368
  O     17.07776042      9.32728754    -16.94282725
  H     13.96814710      6.33836383    -16.22912441
  H     18.40691151      9.30636704    -10.73221606
  O     16.83042236      6.80867949     -9.10926010
  H     14.00383360      4.88144101    -16.74782373
  H     13.91692508      5.26327039    -14.23151457
  O     18.51435417     10.74981651    -15.17948849
  H     15.21394166      9.46968111     -8.71718079
  H     14.29353963      5.49853570    -12.73926918
  O     16.95252066      6.69245154    -16.12025223
  H     14.15937162      8.47490349     -9.27586324
  H     17.33483570     10.35875169    -12.27250355
  O     13.72113650     11.81661970    -16.13585431
  H     15.90748814      6.39861502    -10.67388030
  H     18.37546220     10.12520231    -13.39862665
  O     14.95950542      9.12216560    -14.28765364
  H     14.63115004      7.04553411    -11.26234710
  H     16.69737204     11.54037591     -8.29956044
  O     11.42972853      6.72285490    -12.56265227
  H     12.76210094     10.83419099    -12.89295688
  H     17.14357611     10.37594059     -9.21780877
  O     18.29776596      9.19268299     -9.77892945
  H     13.93670951      9.84629364    -13.05028396
  H     14.16562609     10.69988328    -17.38911471
  O     13.56649840      5.27199677    -13.33297363
  H     17.04689823      8.37892971    -16.74373100
  H     14.33051303     10.36537643    -18.89043456
  O     18.08547999      9.80627949    -12.53461455
  H     16.24006664      9.55252996    -17.35903828
  H     13.23895951      8.99158959    -11.30750462
  O     16.40618513     10.98040430     -9.01440916
  H     17.02807763      6.24678771     -8.36467834
  H     12.49133445      7.64425549    -11.30139550
  O     14.45597190     10.01085942    -18.01451378
  H     16.11378807      7.40835219     -8.82986488
  H     10.74899293     11.75044884    -14.26813187
  O     13.18636501      8.13940711    -10.85097961
  H     18.04922089     10.21012340    -15.84648430
  H     11.38705926     10.34954212    -14.43775403
  O     11.58370910     11.29009446    -14.27160275
  H     19.30355687     11.08223617    -15.59788126
  H     13.68913952      8.60191085    -17.05130281
  O     13.45619475      8.03453587    -16.30659207
  H     16.14900569      6.16369052    -16.17003461
  H     13.96971535      8.37914017    -15.55771536
          69
 Energy    -250.69056474566196     
  O      1.06405783     -0.44660229      5.28303938
  H      0.32758710     -1.07465938      5.39123633
  H     -5.38042235     -0.43278462      2.69469246
  O      1.40897673     -0.18568433     -2.70608441
  H      1.62929118     -0.55832946      6.04350338
  H     -2.76508675     -0.36864218      4.04461366
  O     -1.05673307     -2.11466890      5.57051948
  H      0.53851813     -0.00727443     -2.32717689
  H     -3.17427096      0.43404444      5.30840448
  O     -0.87240397      0.05456340     -0.99579645
  H      1.59287222     -1.11285358     -2.50930338
  H     -0.25961681      2.17386298      1.72658280
  O      1.95686301     -2.79784014     -1.61732452
  H     -1.25021495     -2.91297942      5.06689364
  H     -0.61743260      2.38041120      3.23124496
  O      3.30221556     -1.38340108      0.26711939
  H     -1.85021730     -1.56532616      5.49507273
  H     -1.60280286      0.66881882      2.41272135
  O     -3.60986880      2.86257959      3.17091941
  H     -0.28354414      0.48221206     -0.35763920
  H     -2.56609099     -0.28198022      1.65499306
  O     -3.84012814     -3.44659638      2.29273929
  H     -0.78187477     -0.90014177     -0.86431436
  H      0.22602000     -2.87526475     -0.98968094
  O     -0.21863607      2.09358029      4.92486146
  H      2.51867685     -3.48022209     -1.97472921
  H     -0.50081084     -2.70717788      0.37963272
  O      3.12367470      1.15446551     -1.06153891
  H      2.46507550     -2.35620935     -0.91275781
  H      1.07683756     -1.47900908      2.38376417
  O     -5.26320143      1.15432782      1.55089320
  H      2.90907120     -1.23797432      1.13754846
  H      1.66214758     -0.59792545      3.49824466
  O     -5.25111839     -1.24272192      3.19960565
  H      3.41493736     -0.50802510     -0.12417333
  H     -3.39665260      2.80264894      6.35691056
  O     -3.17824924     -0.44896315      4.91875090
  H     -4.19920416      2.31686211      2.63768453
  H     -3.26436812      2.51809733      4.84104112
  O     -0.98346546      2.37841051      2.33107423
  H     -2.74184158      2.83354481      2.74371800
  H      1.74281998      1.35616063      0.19222913
  O     -1.96721707     -0.22682063      2.40900072
  H     -3.74522118     -3.34704017      1.34047092
  H      1.25495233      0.55925216      1.43098676
  O     -0.63630981     -2.73193430     -0.58125189
  H     -4.40560009     -2.72046025      2.59550938
  H     -2.53929899     -3.98279310      3.28364890
  O      1.74905198     -0.80356813      2.55995734
  H      0.19105614      1.24100727      5.11438354
  H     -1.81395315     -5.16762548      3.96590884
  O     -2.97885408      2.22361429      5.72572575
  H     -1.07936931      2.10298101      5.36178722
  H     -0.73047840     -3.16038369      2.67875811
  O      0.98509148      1.21498967      0.77179366
  H      3.69579637      1.77314765     -1.50673818
  H     -0.95512835     -1.67777602      2.27115851
  O     -1.73272055     -4.23888943      3.76929417
  H      2.56349780      0.74303586     -1.74371785
  H     -2.40530244     -2.98127847     -0.62472738
  O     -0.39541075     -2.45512060      2.11228755
  H     -4.67361370      0.72994801      0.90571632
  H     -3.72720313     -3.51409257     -1.22582417
  O     -3.37240586     -2.97054495     -0.52654127
  H     -6.01080418      1.48689309      1.05932558
  H     -2.63453930      0.06300096     -0.44584458
  O     -3.45671736     -0.20333244     -0.01009757
  H     -4.68137214     -0.99704410      3.94185757
  H     -3.58732194     -1.13796077     -0.21537741
          69
 Energy    -250.69055855779567     
  O     -3.79395976      4.08168703      3.19422155
  H     -4.74220749      4.12284078      3.36592211
  H     -2.87994118     -2.25413526      3.45241050
  O     -1.07625555      5.69514326      0.74851701
  H     -3.67895571      4.06126806      2.23226825
  H     -3.13948605      1.29150046      0.08629610
  O     -0.59686691      1.12872903      3.35260571
  H     -0.86814422      6.58814345      0.48643732
  H     -3.02206454      1.21856826     -1.45167204
  O     -2.39344225     -2.02646651     -1.03533776
  H     -1.14862759      5.69600758      1.72061664
  H     -7.04215329      1.15283183      1.71580319
  O     -0.15293093     -1.61406048      0.39432594
  H     -0.52433678      1.16705504      2.38763488
  H     -6.59578991      2.16595102      0.61846581
  O     -4.02345860      0.63426355      1.41898761
  H     -0.09252856      1.87856827      3.69000408
  H      0.28669899      4.31914837      0.86887237
  O     -7.33381095      1.20236204      3.60250951
  H     -2.78349051     -1.40548526     -1.66040288
  H      0.59301328      2.79999707      0.84294251
  O     -5.96904337     -0.78376046     -1.02414872
  H     -3.07732319     -2.19717846     -0.37194874
  H     -7.19257864      4.42276312      4.00775772
  O     -3.25024568      1.49932445      3.97709042
  H      0.53243395     -2.20809559      0.10058355
  H     -6.85674678      2.98245828      3.56457088
  O     -3.84139271     -0.05802661     -2.56147744
  H     -0.93150303     -1.78262435     -0.16701400
  H     -3.15679587      3.34861839     -0.04692230
  O     -4.37126741     -2.07019214      0.93329374
  H     -3.79147680      0.88804059      2.31957755
  H     -2.64298418      4.74004139      0.40963215
  O     -3.76613857     -2.61458820      3.63803653
  H     -4.94621111      0.87646913      1.25687680
  H     -6.40160840      4.10570042      1.51068939
  O     -2.70368539      1.70116989     -0.68038955
  H     -6.61322500      0.63081990      3.92562761
  H     -5.30579622      4.11069296      0.42096308
  O     -6.67587398      1.22220166      0.82700756
  H     -8.14565358      0.83215562      3.93947223
  H     -4.87318288     -1.13929183      4.20816960
  O      0.91430792      3.65163698      1.17055602
  H     -5.59129743     -1.41675531     -0.39922544
  H     -4.53777078      0.33753197      4.47152525
  O     -6.59328752      3.91095473      3.46916092
  H     -6.36398311     -0.08840798     -0.48112168
  H     -0.67456710      4.79101311      3.74376135
  O     -3.41145604      4.15582413      0.42143364
  H     -2.30326657      1.35178939      3.85061272
  H     -2.19802925      4.99866442      3.53175378
  O     -6.23932726      3.91587649      0.57927082
  H     -3.41628686      2.43462463      3.79755657
  H      0.92452748      3.59533232      2.91417376
  O     -5.26892643     -0.29862628      4.46360261
  H     -4.65244173     -0.29399324     -2.07592002
  H      1.61158464      3.72116718      4.29663915
  O     -1.33513966      5.42512512      3.43926866
  H     -4.06657456     -0.06299977     -3.48774149
  H     -0.92577972     -1.71251897      2.14964859
  O      0.77832307      3.52648136      3.87611615
  H     -4.19229843     -1.12894315      1.08982438
  H     -1.01204421     -0.72612217      3.31968695
  O     -1.31244812     -1.59486270      3.02563523
  H     -4.28390404     -2.48043456      1.79991389
  H     -0.12127095      0.24161568      0.45003046
  O     -0.28039125      1.18728899      0.56249526
  H     -3.63378915     -3.39247616      4.17348107
  H     -1.07443403      1.39872008      0.05194677
          69
 Energy    -250.68906240476417     
  O     16.71322601     13.31743085    -18.45979714
  H     16.19052120     14.08342351    -18.20316956
  H     14.57317074     15.86686947    -18.33770691
  O     18.56736414     17.83888109    -13.49404977
  H     16.68290657     12.71471554    -17.70072292
  H     18.87838249     15.29852219    -16.84499779
  O     20.53241968     12.03185728    -16.66485161
  H     17.83689572     17.21647812    -13.62503188
  H     19.48130562     15.01733755    -18.22791318
  O     17.53282656     14.59213588    -11.52885493
  H     18.52229999     18.46869607    -14.22327172
  H     17.02052045     11.71176897    -11.99706382
  O     14.22082118     15.14217698    -14.99384085
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  H     15.84987619     11.54382033    -10.99901840
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  H     20.78647003     12.72546124    -16.04055316
  H     20.20726177     17.02164708    -13.77459740
  O     14.96291116     12.44927805    -14.22526417
  H     17.18875699     15.04429077    -12.31286307
  H     21.41964800     16.41453138    -13.03603428
  O     19.38164642     13.30627565    -18.99987256
  H     17.00744605     13.78866808    -11.43222474
  H     19.20351579     13.87699957    -11.83136562
  O     20.76679110     17.82882248    -16.45171682
  H     13.33343491     15.48658965    -14.92608560
  H     20.70811555     14.14193397    -11.62280739
  O     19.07554227     16.87930747    -10.87455341
  H     14.50085900     15.27143680    -15.91478918
  H     17.50167072     11.26748581    -15.79597162
  O     20.77731905     13.94444079    -14.61910654
  H     18.76508202     10.86360511    -13.45509590
  H     16.16307518     12.00607231    -15.43495690
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  H     19.24206393     11.82721672    -12.33452675
  H     18.72010838     20.26476001    -16.07385876
  O     19.31147255     15.72719330    -17.59888747
  H     15.29958442     12.41045150    -13.32148107
  H     19.40938767     18.88086127    -16.13154373
  O     16.19866292     12.12337267    -11.67117013
  H     14.65727843     13.34993831    -14.38224917
  H     20.69813638     16.24656658    -10.99494410
  O     21.08080779     16.62644780    -13.91376604
  H     18.41589062     13.29484420    -18.87090485
  H     22.16458096     16.06396925    -10.53108175
  O     20.08301131     13.49400773    -11.96948210
  H     19.54323830     13.01098255    -19.89186923
  H     19.60532543     10.87899271    -15.76648223
  O     16.87225427     11.93436212    -16.09208472
  H     20.38729061     17.08513657    -16.94124630
  H     19.23636806      9.40894901    -15.45552797
  O     18.58670768     19.34062980    -15.88121268
  H     21.09716240     17.45853995    -15.62317978
  H     17.75367382     13.50150753    -15.71269310
  O     21.54628604     15.81792058    -11.21344591
  H     18.88092473     17.39287886    -11.67015995
  H     19.06989785     14.12301970    -15.14124861
  O     19.01284946     10.31090276    -15.24150158
  H     18.47035045     16.12588287    -10.89650166
  H     17.88517175     16.88135947    -17.65368605
  O     18.18730501     14.33150113    -15.47683692
  H     20.59303687     13.64294438    -13.71856550
  H     17.44068747     18.14261984    -16.89929103
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  H     20.98435581     14.88515854    -14.53747724
  H     15.76684993     15.74544377    -14.12758255
  O     16.67823331     15.86007993    -13.84000380
  H     15.79791484     16.30734840    -17.50489104
  H     17.22322937     15.33239882    -14.44723300
          69
 Energy    -250.68848020471782     
  O     12.35631201     13.56278773    -12.73250315
  H     11.96723165     12.66905234    -12.72027256
  H     19.99117781     13.40802292    -14.22726087
  O     19.46408155      7.74019884    -11.41258227
  H     11.63163483     14.17719379    -12.81014776
  H     14.22383755     10.43487349    -16.36631963
  O     17.03788417     10.79115415    -10.93896656
  H     19.38921308      7.19379121    -12.20377234
  H     14.59698295      9.12613871    -15.67144323
  O     12.01462543      8.80196233    -14.23275740
  H     19.61750679      8.63994910    -11.72928947
  H     15.32994389      9.92599798    -13.47858556
  O     16.19573391      6.58065647    -12.71825496
  H     16.95051585     11.64521123    -10.50081158
  H     14.92934614     11.42601263    -13.31478685
  O     13.51509326      6.99870201    -12.51139621
  H     16.37057244     10.77128425    -11.64250008
  H     15.06891544     12.44286833    -15.73724680
  O     14.71655147     13.05201413    -14.13707047
  H     12.62967358      9.12410341    -14.91464989
  H     15.15191795     12.65624949    -17.26612716
  O     18.67737283      8.99713132    -14.82996949
  H     11.32841129      8.32547067    -14.69476758
  H     15.19770254      7.82937293     -9.92029654
  O     16.91281711      8.08183698    -10.42428259
  H     16.45662898      7.08575247    -11.93567543
  H     14.08878149      7.22764121     -9.03142894
  O     18.08211828     11.55039048    -15.92674159
  H     15.22706302      6.54028830    -12.70332299
  H     17.73318828     13.64396781    -13.10153108
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  H     13.00350940      7.63838190    -13.02039956
  H     16.85067559     13.85344827    -11.84400285
  O     19.27934233     12.87036270    -13.88987090
  H     13.54373190      7.31443831    -11.60074940
  H     15.54939358     13.31689908    -10.09328598
  O     13.85080143      9.59686392    -16.07259464
  H     15.46468747     13.46988453    -13.68030500
  H     16.70739623     13.90896878     -9.25287996
  O     15.08175884     10.60183043    -12.83581834
  H     13.89701783     13.33026378    -13.71060629
  H     13.66581995     12.09512634    -10.26735055
  O     15.31080975     12.01500255    -16.57737501
  H     18.91731778      9.47130395    -14.01915435
  H     13.35794898     13.36453126    -11.07851690
  O     14.23590600      7.78540283     -9.79142785
  H     18.82201852      8.06064356    -14.64836759
  H     19.46053512     11.26606732    -12.90717177
  O     16.88268903     13.98486122    -12.79908345
  H     16.89723989      9.04763508    -10.49502079
  H     18.53856963     10.53796135    -11.91421827
  O     16.51972641     13.38787156    -10.02838232
  H     17.83353037      7.83387471    -10.59232489
  H     11.57495955     10.30612451    -13.19169451
  O     13.86213447     13.04095960    -10.32371080
  H     18.28028073     10.61835294    -15.77016608
  H     11.94766675     10.73364734    -11.76817627
  O     19.29822385     10.40603576    -12.50030392
  H     17.15787529     11.61098555    -16.19413398
  H     13.94246118     10.36209625    -11.46220653
  O     11.45684245     11.01859548    -12.55165020
  H     17.80548937      6.29200112    -13.48574822
  H     13.60361917      9.48424221    -10.23039976
  O     13.38168132     10.31113543    -10.67093529
  H     18.92454353      5.45302233    -14.14139604
  H     16.88052886      8.82814769    -14.76773486
  O     15.95126139      8.63270008    -14.59238682
  H     18.85046413     12.45774551    -14.66199892
  H     15.94360886      7.87717019    -13.99222872
          69
 Energy    -250.68758336142042     
  O     16.50414992      9.63753297    -11.91164425
  H     15.99049806     10.44946704    -11.81919884
  H     13.05148057      9.89697826     -8.18017587
  O     15.70197939      5.92699965     -6.60889710
  H     15.96462814      8.96687328    -12.35405822
  H     18.76440572      4.68251825    -12.26574838
  O     15.12371665     11.94098479    -11.12198561
  H     15.89704292      5.11270105     -6.15278238
  H     20.20414404      4.14945767    -12.07233030
  O     13.22072910      6.88151029     -7.74477958
  H     16.04852215      5.83446511     -7.51361206
  H     17.50518715      6.22528038     -9.40668316
  O     15.14327289      7.51722904    -13.04037872
  H     14.98786604     12.82215660    -11.45847602
  H     16.14692757      6.96021719     -9.30396446
  O     19.10537307      9.14924375    -11.33230785
  H     15.70201099     12.01998987    -10.34030944
  H     19.45578023      8.04563667    -12.82265299
  O     19.38574632     10.89166104     -9.09450130
  H     13.96337544      6.52373284     -7.24832308
  H     19.67176852      6.52866024    -12.99760462
  O     19.16302271      6.75281022     -9.88098121
  H     13.15129991      7.81571204     -7.49904646
  H     16.03748665     10.19915461     -6.44122064
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  H     15.11507103      6.75637678    -12.44255932
  H     15.71666293     11.45104501     -5.59345130
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  H     15.74720499      7.27916861    -13.75514917
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  H     17.98493095      6.98982905    -14.38213103
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  O     16.56967253      6.09183734     -9.20312663
  H     20.15025420     11.41305383     -8.86242699
  H     17.62890664     11.64086558     -8.98550929
  O     19.44502789      7.33514470    -13.47686832
  H     19.13284881      7.57406437    -10.39409847
  H     16.35701405     11.74453885     -8.10088367
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  H     19.43438665      6.05865214    -10.49465363
  H     14.12014682      5.36206449    -10.99588503
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  H     12.76296006      6.25248050     -9.29351457
  H     15.60231658      5.45328805    -10.57593069
  O     15.68878377      8.67050814     -9.41861227
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  H     19.37986975      7.83130907     -8.31588919
  O     16.73105376     11.99251486     -8.95511669
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  H     18.46093650      8.52689753     -7.28298573
  O     15.02176314      5.28473522    -11.33250813
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  H     16.33564690      7.71593548     -6.53444876
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  O     17.17790557      4.47750338    -12.96868779
  H     13.89522524     10.17353919     -6.92594975
  H     16.37895598      4.59333392    -12.43829815
          69
 Energy    -250.68712830316906     
  O     -8.40051866     -2.11511265      5.77160985
  H     -7.49107787     -1.91151235      6.01858941
  H     -3.99597433      0.59216820      1.70482414
  O    -10.14473103     -0.74127534      2.10275266
  H     -8.88385469     -1.27668718      5.80013071
  H     -6.64387667      0.75675362      4.31401239
  O     -9.03169707     -3.13257639      3.34826163
  H     -9.68423030     -0.64260054      1.25569173
  H     -8.09873757      0.29921706      4.16369264
  O     -5.03308022      0.72629361      0.21806944
  H     -9.84265708     -1.56705737      2.49259552
  H     -5.17576700     -1.47726031      5.60016207
  O     -5.87496388      1.37630760      5.97889216
  H     -8.82946946     -2.83271266      4.25343414
  H     -5.19620954     -1.86861094      7.09659199
  O     -4.53736867      5.26383592      0.81116194
  H     -9.50741989     -3.95430443      3.43075075
  H     -0.48590938      2.51176265      1.72456070
  O     -9.51465598      0.41288594      5.49009677
  H     -5.31038535     -0.13725716     -0.10909374
  H     -1.78961671      3.21262809      2.17659022
  O     -4.40816483     -1.56251692      4.04298127
  H     -5.83377260      1.15815936      0.55150891
  H     -9.32806325      3.02777759      3.68604029
  O     -3.46092850      3.00364710     -0.26020647
  H     -6.66729252      1.79287635      6.34229303
  H     -8.04361268      3.90002928      3.55003137
  O    -10.66151399      1.63444439      3.25294591
  H     -5.82603231      0.46680582      6.29952182
  H     -7.42111255     -2.55954391      2.65510288
  O     -6.21022950     -1.76507650     -0.27750502
  H     -4.50502327      5.97653377      0.17877907
  H     -6.83790907     -1.14432557      2.80997581
  O     -3.45588669      0.62304109      2.50800982
  H     -4.18876023      4.47390808      0.35988447
  H     -7.90964818     -0.77278372     -0.37649611
  O     -7.27116442      0.39505042      3.67779061
  H    -10.08009605      0.81063563      4.81471907
  H     -8.28863968      0.60077089      0.19942773
  O     -5.67772343     -1.38448838      6.43063454
  H     -9.16270889      1.14196250      6.01679483
  H     -8.52366347      3.30187995      7.29801140
  O     -1.43570989      2.43382319      1.71042920
  H     -3.96747957     -0.84142286      3.57509360
  H     -8.42489007      3.09472778      5.76452918
  O     -8.74214347      3.63043250      4.15951367
  H     -5.08346658     -1.89646906      3.43813215
  H     -3.33442510      3.98464199      3.46655279
  O     -6.66428825     -2.01120366      2.41218328
  H     -4.00591028      2.20538727     -0.25569539
  H     -3.27319504      4.94028552      2.26471204
  O     -8.66450460     -0.21189259     -0.16769862
  H     -2.68009863      2.78843956      0.26404527
  H     -4.22458112      1.97276057      3.47888283
  O     -8.27396470      2.66971102      6.63013778
  H    -10.49878213      0.79551591      2.78346605
  H     -4.93818265      2.34066997      4.80579992
  O     -2.72201742      4.50361760      2.92546106
  H    -11.53356553      1.92136585      2.99480364
  H     -7.39647400      1.29546282      2.11304705
  O     -4.59360063      2.71140374      3.98268491
  H     -6.34564939     -1.91877736      0.67394733
  H     -7.11442458      2.70133618      1.55370237
  O     -7.33707382      1.80049520      1.28851710
  H     -5.99545164     -2.60824933     -0.66712319
  H     -5.86012676      3.63911031      3.06784777
  O     -6.48275224      4.13007946      2.50958345
  H     -2.65005871      1.10196994      2.27636260
  H     -5.93893898      4.65231748      1.90775393
          69
 Energy    -250.68635728577578     
  O     17.40109511     11.49624775    -14.36103721
  H     17.52550043     11.32382491    -13.41679749
  H     11.50740845      8.44452818     -9.79917790
  O     15.15730105      6.53081800    -11.45762607
  H     16.55958002     11.95971504    -14.43376688
  H     16.06488282     12.20093137    -11.39593176
  O     11.73142337      8.65017722    -13.37292004
  H     14.20062762      6.40837681    -11.51128873
  H     14.59185799     12.13795079    -10.95237703
  O     13.57485765     10.74594418    -10.18262726
  H     15.52174534      6.26717969    -12.31363061
  H     14.53807585      9.73247197    -11.35398875
  O     18.75549191      8.52280971    -10.76543797
  H     11.42718866      8.00282607    -14.02760780
  H     15.14413244      8.34724475    -11.77099423
  O     13.48187268      6.24333964    -16.62883924
  H     12.44064473      9.16264913    -13.78356172
  H     17.80693228     10.04649712    -15.19134126
  O     16.05061345      5.96314930    -14.00068666
  H     13.79076913     10.21111627     -9.40631042
  H     18.66931247      9.33198369    -16.25982086
  O     13.94799282     10.01201604    -14.35706946
  H     12.66330585     10.54699660    -10.43237413
  H     11.30176597      3.71346327    -12.97862678
  O     14.24170018      4.00025434    -14.92546171
  H     19.64990487      8.30417033    -10.51744218
  H     12.10236539      5.01052558    -12.72861444
  O     14.25184391      8.89689507     -8.19820878
  H     18.61150796      8.13586027    -11.64806701
  H     18.30945824      8.10911068    -14.03121295
  O     16.41718399      7.69738899     -9.29468896
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  H     17.65771440      6.84151165    -13.46540536
  O     11.91797492      7.67940381     -9.37607986
  H     14.16570858      6.90622853    -16.46428075
  H     10.18130225     10.29050386    -11.08508427
  O     15.21510402     12.65382378    -11.48057259
  H     15.54509555      5.20070620    -14.30531964
  H     11.20990573      9.46084354    -11.88633157
  O     15.07774334      9.27761181    -12.01523471
  H     15.80220874      6.70232458    -14.57581849
  H     12.23634927      7.18695534    -12.34049874
  O     18.00958990      9.18011555    -15.58858234
  H     14.40230339      9.72872370    -13.54544119
  H     12.18817542      6.73334922    -10.85345620
  O     11.94545403      4.29739034    -13.37192408
  H     14.11905524     10.95724828    -14.43804599
  H     11.24585583      5.76040805    -14.60328056
  O     18.30854466      7.52458610    -13.26346437
  H     13.44088763      4.05099865    -14.37959612
  H     11.92993856      6.55398388    -15.72309737
  O     11.03368803      9.86750392    -11.02039147
  H     14.32365021      3.09289647    -15.20958564
  H     14.86838151      8.77889744    -15.33276761
  O     12.39981298      6.43769461    -11.75133433
  H     14.37606031      8.97342011     -7.25585360
  H     16.31114850      8.44929433    -15.79611362
  O     11.20774953      6.59622908    -15.07734259
  H     15.05837091      8.48088757     -8.55209983
  H     14.89191432     12.74904820    -13.20449350
  O     15.42313208      8.08097650    -15.70810548
  H     16.02127335      7.12700639     -9.97004465
  H     14.53053536     13.56322556    -14.46879915
  O     14.78696511     12.69455535    -14.17148340
  H     17.23789702      8.02149374     -9.68214574
  H     16.57807114     10.25610678    -11.83268119
  O     17.35798478     10.80640877    -11.65610678
  H     12.69196338      8.01461458     -8.90720924
  H     17.99270928     10.20467509    -11.25307398
          69
 Energy    -250.68605505967207     
  O      1.98561195     -1.31004503      6.15085462
  H      2.03489061     -1.73774932      5.28423173
  H      1.50262344      2.25461998      2.36326251
  O      0.70567859      2.29814548      8.22592916
  H      1.91993743     -0.35493894      6.00625571
  H     -1.30505138      0.98855176      4.06000668
  O     -3.23780469     -3.97442400      4.70414042
  H      0.66487221      1.47568135      8.74657298
  H     -0.41640081      2.07954071      3.40279707
  O     -1.91730524     -1.39324335      9.83426031
  H      1.01264243      2.98207368      8.81487840
  H      0.84407432      0.64982571      1.06724687
  O      1.90422773     -2.41439326      3.63296319
  H     -3.69038910     -3.16256219      4.95318775
  H      0.50880510     -0.86251962      1.13872910
  O      0.61668730     -4.83953464      4.48901623
  H     -2.64403070     -4.19722783      5.43744055
  H     -1.56550878      2.19561682      5.94779720
  O      2.16506527     -2.21010438      8.71366912
  H     -2.32034477     -1.01788612      9.03416866
  H     -1.01970763      2.31020648      7.38268330
  O      0.57306697     -0.02831071      9.58629837
  H     -2.58933736     -1.38500503     10.51132560
  H      2.60544089      1.65812351      4.20061391
  O     -0.29774970     -3.65220389      9.01191522
  H      1.06768752     -2.27037736      3.16803669
  H      3.23197443      0.92914946      2.98087577
  O     -0.48303214     -2.03878023      2.17641386
  H      2.57713941     -1.94876762      3.12086653
  H      0.16938732     -1.53045556      6.16773178
  O      3.49649161     -0.73793238      2.03667502
  H      1.21326226     -4.12503094      4.23606529
  H     -0.92870084     -2.63553895      6.20677975
  O      0.65381754      2.38861528      1.90287082
  H     -0.05939731     -4.86776037      3.79982445
  H     -1.96415957     -5.27109199      2.11055192
  O     -0.79936307      1.79344698      4.24123159
  H      3.04034629     -2.52871383      8.91850968
  H     -2.23303766     -4.35359560      3.32618566
  O      1.14575969     -0.22345092      0.78984200
  H      2.17847791     -1.93117246      7.78191503
  H     -2.00331682     -0.83753911      7.00750384
  O     -1.82962012      2.16996699      6.87666101
  H     -0.27664304     -0.44803435      9.76611565
  H     -2.54071652      0.58606553      7.29245720
  O      2.90899684      1.78375217      3.29155796
  H      1.18474992     -0.74509026      9.37786296
  H     -3.92282523     -1.00962941      6.18986438
  O     -0.77565581     -1.69001785      6.07333156
  H      0.57708964     -3.24844827      8.95618136
  H     -5.30233054     -1.14975600      5.51100331
  O     -1.58549190     -4.56717275      2.63023983
  H     -0.88265010     -2.96436622      9.35148034
  H     -0.46386964     -4.66464658      5.94271885
  O     -2.73713926     -0.35424664      7.42076177
  H     -1.10171903     -1.49621713      2.68525401
  H     -0.86149775     -4.29051142      7.42761790
  O     -4.38155820     -1.38162471      5.41889377
  H     -0.84669326     -2.93340633      2.18132134
  H      0.71762315      1.47644197      5.21003204
  O     -1.18837767     -4.38155512      6.52125429
  H      4.21198398     -0.89640656      1.42673837
  H      1.36798796      1.75626257      6.58644450
  O      1.53366948      1.36495176      5.71955017
  H      2.70112277     -0.56271474      1.49986343
  H     -2.99754056     -0.79275599      4.18722694
  O     -2.08400934     -0.63516651      3.92741640
  H      0.73525084      3.19753143      1.40432372
  H     -1.54945393     -1.03565665      4.63390637
          69
 Energy    -250.68561006511163     
  O     -2.03401547      1.58557281      3.79120169
  H     -2.49527788      1.21686722      4.53952760
  H     -1.93249493      6.59629200     -0.17821257
  O     -3.51744920      0.64496795     -2.55573006
  H     -2.34147422      2.50597058      3.69506765
  H     -1.11214620      3.99701087     -1.98922525
  O     -2.19655368      2.35535124     -4.44250385
  H     -3.74128873      1.22168519     -1.81530902
  H     -2.15107584      3.61011063     -3.06944706
  O     -4.47602848      4.77761458      1.12425933
  H     -3.21201740      1.22949645     -3.26137672
  H      1.62280807      3.57043114      3.69615342
  O     -0.05750597     -0.33082060     -0.32839942
  H     -1.39820326      1.80946316     -4.32418976
  H      1.11227655      4.97839489      3.31848649
  O      1.67958236      1.25156318     -1.83515035
  H     -2.31555884      2.46905926     -5.38146416
  H      0.39226057      2.81966329      1.91285361
  O     -0.32794315      7.39806969      0.45594879
  H     -5.30537964      5.24673486      1.16104906
  H     -0.82563086      2.51852664      1.03197832
  O      0.81795721      1.92426865      3.52758519
  H     -3.86495708      5.32946114      0.60151967
  H     -3.09924012      3.11120033     -1.09318166
  O     -1.58759935     -1.27451284     -2.49419292
  H     -0.52161854     -0.80540791     -1.02841793
  H     -4.10041800      3.26281016      0.07401656
  O      1.87055427      0.18055264      1.69728710
  H     -0.74294211      0.13698530      0.17245072
  H     -2.08222373      4.72034054      3.22700908
  O      3.56526758      4.45865290      1.33944678
  H      2.43024337      1.46167148     -1.26724903
  H     -3.45796358      4.33171206      2.65268113
  O     -2.73727221      6.13246544     -0.43593484
  H      1.08044768      0.70748073     -1.30051149
  H     -2.12609339      1.15741199      1.98279244
  O     -2.04627020      4.07923034     -2.23311952
  H     -0.16142810      8.33453823      0.38991618
  H     -2.67403401      1.56187333      0.56001895
  O      1.91627388      4.46556423      3.47282752
  H      0.47088741      6.94788777      0.12823770
  H     -0.45490283      4.74471840      1.99828757
  O     -0.11697465      3.16059819      1.16669352
  H      1.18961599      1.19866004      3.00182895
  H     -0.51478461      6.28638019      1.96119910
  O     -3.67764696      2.61095764     -0.49763028
  H     -0.10450536      1.71743239      3.71731986
  H      1.43422345      5.27197408     -0.93234838
  O     -2.83220556      4.12415016      3.35701327
  H     -1.95313420     -2.11764206     -2.74779497
  H      2.44985061      5.54784444      0.18392411
  O     -1.97314620      1.09015883      1.03164583
  H     -2.32955891     -0.64388491     -2.46490842
  H      0.34996114      3.59437678     -0.46632739
  O     -0.54506398      5.53117239      2.55969663
  H      2.50685520      0.71343841      1.20626580
  H      0.95740123      2.93096219     -1.71853982
  O      1.82384626      5.98376231     -0.40428547
  H      1.24477640     -0.15421353      1.04192431
  H      0.63652783      0.91104052     -3.37691984
  O      0.54648431      3.74558471     -1.40533336
  H      2.98934467      4.46202020      2.12545542
  H     -0.53047854     -0.07624274     -3.55815650
  O     -0.10419266      0.69336303     -3.95673304
  H      4.35971793      4.92563911      1.58763760
  H      3.56813367      2.80494990      0.53551730
  O      3.61201377      1.91646306      0.15001552
  H     -2.50185407      5.54605727     -1.16752514
  H      4.53747305      1.68193372      0.11747819
          69
 Energy    -250.68408169450993     
  O     11.93634217     10.69722716    -14.52949894
  H     12.04939814      9.90903506    -15.08093705
  H     19.54994685      7.29926120    -16.00918833
  O     15.80961912      6.87371047    -12.67276364
  H     12.60178314     11.32999911    -14.81936649
  H     14.79133350      9.68073250    -13.70436571
  O     17.81514769     10.71117805    -12.78289230
  H     15.48038676      7.56237836    -13.27485293
  H     14.03231804      8.70833476    -14.67643223
  O     15.84102904     10.45701008    -16.34438700
  H     15.34344155      7.00471172    -11.83808033
  H     11.51389855     10.22328223    -12.91545123
  O     12.23921235      5.88072053    -14.51723089
  H     18.04604762     11.00932317    -11.89370933
  H     10.42312496     10.18442997    -11.82009058
  O     15.91497828     10.53425575     -8.89570456
  H     17.94715848      9.75191927    -12.78989322
  H     18.66317993      8.14048296    -10.98487600
  O     14.37066259      7.56793295    -10.40549500
  H     15.58288073      9.82006341    -15.66084493
  H     18.67157121      9.34429897    -10.02254878
  O     15.11404034     11.30730808    -12.86259786
  H     16.78823597     10.60664320    -16.21589141
  H     12.86222004      7.13776565    -11.48123277
  O     16.61659180      6.30286771    -16.75016971
  H     11.52693891      5.24759748    -14.54799791
  H     11.79223867      8.05461121    -12.10488085
  O     16.46576319      7.73253383     -8.54346195
  H     12.20275340      6.30007106    -13.63793821
  H     18.64847668      9.61731564    -15.61170053
  O     15.02028566      5.31137284    -14.81840174
  H     16.03594353      9.61452274     -8.62916147
  H     18.34767643     10.75797333    -14.61772780
  O     18.77280063      7.68221982    -15.60725427
  H     15.09979290     10.55566279     -9.41382422
  H     17.46172978      7.49311747    -12.71212468
  O     14.87768654      8.88256361    -14.24183903
  H     15.02327484      7.49945101     -9.69773214
  H     18.58647015      7.80333565    -13.72677410
  O     11.30872728      9.89413472    -12.02193669
  H     14.18470730      8.51278064    -10.51082442
  H     18.69421051     11.91699506     -9.56000636
  O     18.63526343      8.38027831    -10.04931244
  H     16.07472802     11.18575556    -12.88809638
  H     17.40458214     11.06603765     -9.64051300
  O     12.15457699      7.16082590    -12.13711771
  H     14.84837218     11.84536322    -13.61751435
  H     15.09392774      9.10472905    -17.46581867
  O     18.45921185     10.56229377    -15.55778257
  H     16.03936307      5.92651572    -16.06094158
  H     15.32716355      7.58975064    -17.40944043
  O     18.31087797      7.95045883    -12.81531647
  H     16.72939039      5.62052304    -17.40803790
  H     12.86096120     10.21811314    -11.02329908
  O     18.26385929     11.23442577    -10.06755621
  H     16.73587640      7.24080015     -7.77274070
  H     14.26284708     10.71860068    -11.42988493
  O     14.67615187      8.25526562    -17.66128971
  H     17.26755290      7.88262263     -9.07580973
  H     14.76193546     11.75878067    -15.79270671
  O     13.77193698     10.28764393    -10.71342785
  H     14.06190222      5.41276171    -14.78407124
  H     14.18012045     13.19174814    -15.78186088
  O     14.17794863     12.36555981    -15.30577195
  H     15.34902530      5.67974878    -13.98595518
  H     13.23363427      8.25259896    -16.56411091
  O     12.62173199      8.34252092    -15.81794193
  H     18.00926935      7.23468039    -16.00392959
  H     12.40975566      7.45898861    -15.49250623
          69
 Energy    -250.68401318515245     
  O     14.45687810     13.41137652    -11.59705268
  H     14.74730531     12.84662109    -12.32595374
  H     12.16967947     12.24032385    -13.22046952
  O     12.89647095     11.96751605    -16.88215611
  H     13.63102504     13.80577648    -11.90132410
  H     13.14063052     13.52953696    -15.95026088
  O     15.33898411      8.22672008    -13.03601782
  H     12.34868860     11.23856257    -16.57266838
  H     14.32478554     14.38229633    -15.42851289
  O     18.36189731     14.40694978    -13.46262312
  H     13.77596617     11.58675805    -17.00096713
  H     12.53660933     14.25655995    -13.86724305
  O     11.84680359      9.60702328    -15.45666542
  H     15.16313654      7.27998371    -12.96469145
  H     11.38346113     14.73883883    -12.95164430
  O     14.33675088      5.59190348    -13.01384169
  H     14.65630410      8.67029848    -12.51030695
  H     18.80153155     12.67396474    -14.15595033
  O     13.15200324      5.93682365    -15.43378178
  H     18.97902064     15.11807720    -13.31338385
  H     18.40842679     11.18187496    -14.03537451
  O     15.23097916     11.85511413    -13.89233062
  H     17.97832955     14.18188739    -12.59578567
  H     14.18755362     10.43014404    -10.40690609
  O     13.26191696      9.39679023    -11.60268289
  H     12.71351426      9.19316958    -15.58476509
  H     14.48999481     11.94403383    -10.35930893
  O     14.38672122      8.43936266    -15.68106898
  H     11.94640075     10.22514939    -14.71808663
  H     15.34786983     11.10554606    -15.64988004
  O     17.74481204     12.36089819    -17.01760751
  H     14.61787876      4.69639367    -12.84787981
  H     16.26917001     11.24844839    -16.87847933
  O     12.50986317     11.36135428    -13.42403071
  H     13.94221781      5.60350310    -13.90449112
  H     10.98898651      8.10402943    -14.99938204
  O     13.36902020     14.27484806    -15.37459163
  H     12.24431585      6.22442484    -15.27490225
  H      9.78563995      7.13508333    -14.98647128
  O     12.11087258     14.12548229    -12.99881811
  H     13.62614077      6.73062540    -15.72000318
  H     16.44022547     10.97263195    -10.04032876
  O     18.84408279     11.82350546    -14.61150289
  H     15.57791277     12.64541734    -14.33207827
  H     17.82862606     10.64114902     -9.43571419
  O     14.73022823     11.09687862     -9.96368993
  H     15.96623375     11.34071865    -13.52905821
  H     16.93853682     14.32540800    -14.66207282
  O     15.47020475     10.81002069    -16.56213958
  H     12.87564081     10.07317421    -12.17477741
  H     16.69341437     13.60583662    -16.00724812
  O     10.69276930      7.22584542    -14.70632505
  H     12.71794684      8.59900621    -11.67965173
  H     17.37832937     10.44235608    -11.96792736
  O     17.40042264     10.98966749    -10.21248256
  H     14.76018543      8.39653463    -14.78979242
  H     16.71073026      9.43593739    -12.95558872
  O     16.24377569     14.04402554    -15.27299909
  H     14.86014606      9.13513263    -16.15486437
  H     11.45880265      7.06973857    -12.95305667
  O     17.23965092     10.24473954    -12.90404218
  H     18.39722827     12.46031372    -17.70489668
  H     12.72069005      6.45017643    -12.32258196
  O     11.97925042      7.04018245    -12.14066691
  H     18.22027192     12.10730748    -16.20470856
  H     16.24548409     13.76756305    -11.17821751
  O     17.20795425     13.68345752    -11.14816954
  H     13.42798184     11.49521808    -13.70244470
  H     17.38773852     12.82045966    -10.75656100
          69
 Energy    -250.68345848397951     
  O     -3.45573750      3.21577762      4.93375553
  H     -3.96762855      3.91561272      4.50686139
  H     -5.05762798      3.23052244      0.80999897
  O     -4.25295403     -1.41929009      0.33291414
  H     -2.58777156      3.59634903      5.11752344
  H     -2.80749951      0.21138708     -1.97930591
  O     -3.17077843      4.93910979     -1.11458512
  H     -3.75335809     -1.25947041     -0.48737859
  H     -1.81836697     -0.84399783     -1.42947387
  O     -4.55251257      1.41200354      0.60765808
  H     -4.82745060     -2.16140946      0.16497303
  H      1.65248572      3.01090662      3.37289993
  O      2.21438416     -0.79089673      0.91667164
  H     -3.46663617      5.41293003     -1.88869434
  H      0.78735084      1.72060512      3.63549373
  O      1.69894417      5.15555085      0.44415094
  H     -3.09725640      4.00542668     -1.37310316
  H     -2.97707011      5.90283450      3.27098966
  O     -0.87417917      3.04452713      1.60586606
  H     -4.02930605      1.52500126      1.41746735
  H     -1.58522108      5.59354509      3.85422012
  O      0.57693932      0.02287445      3.12870838
  H     -4.66613161      0.46079003      0.50614684
  H     -3.16173922      2.08088743      3.59297946
  O     -1.99471148     -0.83525822      2.03007902
  H      2.94775369     -1.39889980      0.95601834
  H     -2.22368966      2.18229235      2.35371245
  O     -0.34839828     -0.83130923     -0.22325724
  H      2.58778428      0.08881149      0.72900418
  H     -0.42940818      4.63448138      5.97004097
  O      3.16191849      1.69763618      0.44329521
  H      1.77185400      4.60906885     -0.34804419
  H     -0.22897189      3.75333472      4.71958793
  O     -5.03407990      4.18611451      0.94639223
  H      0.77921278      5.44902272      0.49195947
  H     -3.50603905      1.92508488     -0.81579761
  O     -2.70301304     -0.73012789     -1.80422472
  H     -0.94207517      3.97536275      1.35731627
  H     -2.03536281      2.10902103     -1.31978325
  O      0.83221272      2.68133898      3.76267153
  H     -0.23345243      2.96261708      2.32366958
  H      3.74267924      4.29192655      2.68397430
  O     -2.03767681      6.10345079      3.17161865
  H     -0.27667523     -0.37642964      2.92734357
  H      2.52865325      4.34537898      1.72518880
  O     -2.90659761      1.63848242      2.77279164
  H      1.18167679     -0.29765868      2.44840411
  H     -5.52776267      5.75351098      3.62936100
  O     -0.83772336      4.37821815      5.14641738
  H     -2.30492325      0.01188908      2.38664073
  H     -4.88007706      4.86528334      2.54357563
  O     -2.96622739      2.21693209     -1.56613368
  H     -2.76269945     -1.21566923      1.58766440
  H     -0.48147642      2.26923796      0.10097489
  O      2.99087287      3.79016339      2.38032908
  H      0.56375068     -0.94929268      0.07018057
  H     -0.28101842      0.91086722     -0.63147492
  O     -4.73864008      5.26013826      3.42196790
  H     -0.89876327     -0.84659184      0.57474960
  H      1.05026517      2.71832197     -1.41184870
  O     -0.33724072      1.86554518     -0.76947686
  H      2.84049737      2.17639359     -0.33027007
  H      1.94571848      3.21173839     -2.57438083
  O      1.87350932      3.19231509     -1.62390860
  H      3.19268379      2.34615401      1.15676682
  H     -1.78045649      5.51993569      0.06002783
  O     -1.05511025      5.64817936      0.68201276
  H     -4.45419932      4.53759609      0.26106938
  H     -1.42467270      5.94671446      1.52950689
          69
 Energy    -250.68325789310688     
  O     15.24824432     11.30295621    -16.09558837
  H     14.98817960     12.21915400    -16.14229653
  H     16.63016049      4.15541228    -15.94261411
  O     13.66464474      4.83221987    -15.55034610
  H     14.43531233     10.78612001    -15.94280720
  H     19.42397250      5.42190967    -15.37717132
  O     18.17020360      8.44590083    -12.53638664
  H     12.98462752      4.16799991    -15.62143010
  H     20.37939294      6.61683002    -15.24304411
  O     19.62345604      6.36244547    -18.30437177
  H     14.47486567      4.45022723    -15.93695327
  H     17.86586066      8.21033422    -16.54432112
  O     16.90762976      5.46630154    -18.71154385
  H     18.92713847      8.41514273    -13.13267314
  H     19.02297880      7.93820248    -17.54007276
  O     14.18897890      9.10682058    -10.16417070
  H     17.51743545      9.01858452    -12.96789515
  H     16.42330805      8.27395621    -14.96980859
  O     14.30633770      6.11590361    -13.07723555
  H     20.31294152      6.10701866    -18.91126482
  H     15.64715507      7.45295219    -16.02719005
  O     16.21955582      9.77623499    -13.92705505
  H     19.90488309      6.06805655    -17.41926036
  H     13.18850541      9.46614382    -14.59634341
  O     17.71557863      5.15606534    -14.81292973
  H     17.82183139      5.76078991    -18.62779798
  H     13.32318670      8.87709320    -16.01441393
  O     13.91026149      6.24773933    -10.26621133
  H     16.38858180      6.24028400    -18.95924184
  H     16.56872258      5.13677226     -8.80841990
  O     20.13502589      8.48894146    -14.61517696
  H     13.93661619      9.73897275     -9.49674058
  H     15.52637046      5.85477503     -9.70213361
  O     15.95536885      3.95186432    -16.60362439
  H     15.15397765      8.99418945    -10.09524274
  H     14.26833520      7.32800251    -17.68682114
  O     20.24949593      5.79242143    -15.72422310
  H     14.09059997      5.63851541    -13.88629869
  H     13.76689305      6.44031452    -16.48159535
  O     18.64234308      8.61510089    -16.96452687
  H     15.25207394      6.00315521    -12.90630594
  H     16.92503738      5.72935603    -11.33207218
  O     16.50729665      7.54669623    -15.59943547
  H     15.37189274      9.51509906    -13.53642429
  H     17.42841022      6.77081161    -12.36888162
  O     13.15224830      9.69952006    -15.53309185
  H     16.02344880     10.40707512    -14.62999621
  H     17.42631256      8.61605808    -10.77808050
  O     16.47944384      5.76265563     -9.52134596
  H     17.30372045      5.96029794    -15.16551887
  H     16.86216537      7.64032382     -9.72350911
  O     13.96793491      7.34008065    -16.76877232
  H     17.55978845      5.19201040    -13.86055862
  H     16.06777070     10.43063107    -17.56061811
  O     17.00483084      5.90508371    -12.27664379
  H     13.83872957      7.20429491    -10.15596442
  H     17.33771532      9.62123020    -17.89654444
  O     16.85402827      8.56498449    -10.00243996
  H     13.87968694      6.08961086    -11.21943229
  H     13.83771051      9.02711188    -11.97845005
  O     16.48732213      9.90699835    -18.25434266
  H     20.87361563      9.09390082    -14.62820348
  H     13.93107178      7.88607559    -13.02803895
  O     13.82196497      8.84329582    -12.92578236
  H     19.64192164      8.63926041    -15.43860884
  H     14.88057437      7.90353575    -20.12272640
  O     15.21607901      7.71945273    -19.24927375
  H     16.24946583      4.39217008    -17.41479011
  H     15.65935625      8.53028685    -18.94203373
          69
 Energy    -250.68295315145738     
  O     11.38857788     10.38867842    -14.44319310
  H     11.98764405     11.14502607    -14.41725535
  H     14.16706634      5.92594872    -15.68062614
  O     15.97972761      6.68036782    -13.35475816
  H     11.53158724      9.95085668    -15.28914636
  H     15.07097802     11.29679136    -16.47131375
  O     17.40763181     10.64482994    -12.28218127
  H     16.86935852      6.98837419    -13.14402301
  H     16.18993859     11.87439615    -15.57621720
  O     17.87211269     11.35871440    -14.90355565
  H     15.54411124      7.43964606    -13.77394467
  H     14.63492253      9.54981396    -13.77625792
  O     12.67579718      6.97272162    -15.06830299
  H     17.62968145     10.64397199    -11.34314142
  H     14.73859283      9.21764521    -15.29519269
  O     15.33585870      9.31018718     -8.84713111
  H     16.44360080     10.73743519    -12.33444049
  H     10.99752894      9.55766494    -12.95489395
  O     14.21784805      6.61500355    -11.22679772
  H     17.77581108     11.16092639    -13.95719657
  H      9.92053377      9.34674655    -11.86614156
  O     14.69278313     10.84132890    -12.48315551
  H     18.66064112     11.89020338    -14.99026769
  H     18.44073862      7.57155545    -11.12778263
  O     16.29980886      7.47476174    -17.47407007
  H     13.32489550      7.63033000    -14.77363230
  H     18.25851097      8.48389983     -9.90197467
  O     16.01415958      6.53839461     -9.05979313
  H     12.24663871      6.64600069    -14.26529543
  H     11.32182638      7.26806380    -12.35973831
  O     18.28141697      8.58440437    -15.64985332
  H     15.49586561      8.36004139     -8.77781881
  H     12.50923774      6.33655088    -12.03216095
  O     15.09204853      5.68931592    -15.82649976
  H     14.55159443      9.40330669     -9.40214553
  H     18.47776119      8.10162656    -13.90230717
  O     15.29421217     12.04057757    -15.89390462
  H     14.75019176      6.46415014    -10.43638245
  H     18.02199015      8.92026135    -12.68282896
  O     14.64144331      8.82999764    -14.41762178
  H     14.82812241      6.55570806    -11.97651557
  H     16.86939912     10.03486272     -9.25896863
  O     10.81345660      9.11494903    -12.10775029
  H     14.15421362     10.34922764    -11.84658364
  H     18.11344604     10.83430397     -8.80359027
  O     18.27242337      7.55874662    -10.17638706
  H     14.14213610     11.49824554    -12.92565198
  H     13.67935012      9.39089129    -17.18523499
  O     11.71030164      6.41015389    -12.57124913
  H     15.88437803      6.79130856    -16.91862350
  H     15.16098557      8.91310106    -17.37648264
  O     18.36331633      8.05295811    -12.94176963
  H     16.67418515      7.02512982    -18.22730913
  H     13.61476614      8.30653529    -10.97037708
  O     17.76245302     10.31991032     -9.52537418
  H     16.84943142      6.81641722     -9.47726370
  H     12.37847916      9.22829794    -11.13028254
  O     14.60450856      9.66000145    -17.11612307
  H     16.23702642      5.87014139     -8.41746871
  H     13.98506608     12.41015414    -14.84329112
  O     13.28508731      9.20223214    -10.80029786
  H     17.63399399      8.23398034    -16.27116657
  H     13.03828762     13.45028139    -14.19465058
  O     13.25957508     12.52311923    -14.20146608
  H     18.09793349      9.52744440    -15.56116706
  H     12.07717628      8.07840436    -16.28167175
  O     11.90406344      8.84467849    -16.85791718
  H     15.51463384      5.79068452    -14.96245764
  H     11.20858573      8.58815262    -17.45790393
          69
 Energy    -250.68288448263280     
  O     13.97766305      2.56119102    -15.64186232
  H     14.84427017      2.36551588    -16.04378987
  H     20.29502101      4.55024821    -16.13222070
  O     18.13339424      6.02360642    -11.86180251
  H     13.44379625      1.77765517    -15.73701132
  H     18.61269708      7.98288480    -16.37871905
  O     19.55986694      5.06126953    -17.60837519
  H     17.77948421      5.13355266    -11.99740559
  H     17.43916200      7.89003324    -17.39751291
  O     17.40183488      3.77416912    -18.94537506
  H     17.64031930      6.60536689    -12.45864819
  H     17.23314658      4.74394798    -15.38745804
  O     13.88618713      6.87059060    -10.44470910
  H     18.88823540      4.55567484    -18.08221836
  H     17.33979682      6.04913832    -16.24476472
  O     14.44025428      4.11828816    -13.31390593
  H     19.23287747      5.97082179    -17.57315648
  H     13.78475397      6.80632832    -16.34191625
  O     16.79951780      7.55288185    -13.76970491
  H     17.49036126      3.38885555    -19.81392969
  H     13.83015098      7.62754975    -15.05556054
  O     18.07288665      3.22514446    -14.74279654
  H     16.79039231      4.52555314    -19.03870790
  H     15.06185666      3.45280488     -9.90382542
  O     13.57717999      4.02574784    -10.64616325
  H     14.78999946      6.67309604    -10.13982617
  H     15.89140449      2.60551632     -8.90807279
  O     19.15583103      8.75350680    -14.78913304
  H     13.52130230      7.50079295     -9.82914907
  H     15.12452631      5.23428827    -16.36512954
  O     16.42641727      2.21001893    -16.73069696
  H     14.21383287      3.62367595    -14.10973862
  H     13.96888471      4.21455497    -16.49466963
  O     20.61810616      4.27607816    -15.25391058
  H     14.29427460      5.06097151    -13.47109765
  H     20.43765474      5.79558211    -14.14788295
  O     18.25326069      7.45797148    -17.10601604
  H     16.74526342      6.83907646    -14.42583442
  H     19.66312675      6.32466772    -12.91335191
  O     16.76441106      5.54440092    -15.65491104
  H     17.49296763      8.14855703    -14.07426778
  H     16.73820134      3.28729655    -11.32754428
  O     13.85622636      7.71524450    -16.01508343
  H     17.80119891      3.21890089    -13.81490683
  H     16.06759471      3.73574096    -12.64670616
  O     15.96671723      3.25844231     -9.59819473
  H     18.99925921      3.49030436    -14.79578757
  H     17.07999052      6.21070535    -10.29897661
  O     14.25677310      5.08853287    -16.77751340
  H     13.50272343      4.97623255    -10.49493849
  H     16.32274140      5.16019416     -9.47107907
  O     20.25895625      6.58796986    -13.62780607
  H     13.74025830      3.93531763    -11.59560557
  H     15.71429152      6.75915854    -18.85751668
  O     16.92434259      3.52461076    -12.24360293
  H     19.65502308      9.54075171    -14.59173578
  H     14.99584897      5.49097859    -18.39758078
  O     16.37732821      6.10810559     -9.64410429
  H     19.62905110      8.00666258    -14.37657543
  H     13.96771037      6.99212640    -12.32325928
  O     15.61307170      5.82495933    -19.06579568
  H     16.72465204      2.69089783    -17.51157688
  H     15.07773704      7.26590516    -13.36558065
  O     14.17033496      6.93996294    -13.26545464
  H     17.06456244      2.41624715    -16.03277238
  H     15.09130852      8.27297848    -17.15180771
  O     15.75366092      8.47221239    -17.83671387
  H     21.45886042      3.84741829    -15.39002559
  H     15.46601658      9.27527060    -18.26329764
          69
 Energy    -250.68254727070013     
  O     13.27925152      9.93420751    -15.84670575
  H     14.05884741     10.45725278    -15.62708661
  H     20.40910386      5.69065119    -12.81050068
  O     15.79005799      5.87315078    -11.80229084
  H     12.74126766      9.85416004    -15.04992389
  H     14.71204739      7.23268957    -14.39149756
  O     17.66901628      9.72946545    -11.13408768
  H     14.95435760      6.16918677    -11.41769859
  H     15.62700698      7.04488464    -13.15988542
  O     17.28117163      8.91525453    -15.43119768
  H     16.50805784      6.24516557    -11.27033443
  H     10.61532136      9.62678818    -13.71107496
  O     13.64703600      6.06979309    -15.37446909
  H     16.90386652      9.93771195    -11.68880194
  H     11.62917132      8.47367108    -13.52058399
  O     14.06473240      9.91197567     -8.67586952
  H     17.45139662     10.04123906    -10.24642091
  H     16.84072475      8.47007146     -8.13873694
  O     13.43785974      6.97675703    -10.81971264
  H     18.05859745      8.98018688    -14.85761342
  H     17.25230841      7.18841746     -8.87927736
  O     15.45912540     10.17233540    -12.75669635
  H     16.63486639      8.39360947    -14.93062014
  H     12.46450591      6.38642848    -13.95166727
  O     16.38749882      7.13505599    -17.41185934
  H     13.51914806      6.61606746    -16.16204626
  H     12.39872087      6.64591182    -12.41914625
  O     14.05245031      7.09343159     -8.08430241
  H     14.37522868      5.46782589    -15.57559854
  H     18.82497658      9.32110226    -12.65813761
  O     17.50837256      4.79282586    -13.71944262
  H     13.64660648      9.97078359     -9.54543944
  H     19.41846085      8.03083481    -13.25942783
  O     19.60793442      6.20358854    -12.74755849
  H     13.93100331      9.00355369     -8.37911318
  H     17.89391458      7.97073428    -10.78219780
  O     15.38228577      7.67039309    -13.85470683
  H     13.54591155      6.89983571     -9.86306251
  H     18.65734010      6.68769831    -11.19722210
  O     11.54605275      9.44024776    -13.61664120
  H     13.36588082      7.92387973    -11.00345284
  H     15.77139845     10.28033619     -8.59417266
  O     16.73469765      7.51073089     -8.12952377
  H     15.57614148     10.74586657    -13.52237557
  H     16.92946081     11.05577097     -7.92292182
  O     11.93257770      6.78850773    -13.25230528
  H     15.37313222      9.27211178    -13.11174119
  H     16.23915194      5.57159315    -16.64331233
  O     19.19320940      8.94672418    -13.46751751
  H     16.83191153      7.79626222    -16.86457882
  H     16.15081123      4.03201240    -16.77478293
  O     17.99684778      7.02795059    -10.58195289
  H     15.49046492      7.46054954    -17.55970824
  H     12.49922296      9.75200809    -12.02328479
  O     16.74126325     10.35748101     -8.54425956
  H     13.79984545      6.61341099     -7.30043890
  H     13.99334014     10.01102174    -11.75926355
  O     16.02977875      4.75176210    -16.16065077
  H     15.02428452      7.16130108     -8.07144254
  H     16.38131496     10.45384900    -15.46421290
  O     13.16614210      9.75131160    -11.32666786
  H     17.04325646      4.75809922    -14.56280021
  H     16.20736426     11.96293385    -15.76034933
  O     15.79258157     11.21800532    -15.33377638
  H     16.83586602      4.97101513    -13.04730169
  H     13.07046865      7.98695309    -18.30333095
  O     13.62034933      7.87105740    -17.53339047
  H     18.90401690      5.67672121    -13.16684698
  H     13.47765570      8.64998883    -16.96530261
          69
 Energy    -250.68252203298701     
  O      0.79614199      0.09263816      3.04681144
  H      1.08401126      1.00984946      3.12709272
  H     -3.34494760      3.04669743      1.42897207
  O     -2.51855778     -1.28446780     -3.57453353
  H      1.26932320     -0.30970394      2.30233544
  H     -0.52064987      3.22094784      0.61805364
  O     -0.93699164     -0.76314556      5.09370150
  H     -1.71278490     -0.93564013     -3.15755727
  H      0.78158710      3.02323691      1.41907066
  O     -4.27652550     -0.75900933     -1.40859062
  H     -2.43291986     -1.12735189     -4.51146088
  H     -1.55087385      0.60371017     -1.13029825
  O     -2.14090114     -3.72497306     -2.04749390
  H     -0.24860237     -0.49832791      4.46619010
  H     -3.05590937      0.44988616     -0.83447114
  O     -0.11476196     -2.68269060     -0.46580185
  H     -1.66768817     -0.14843544      4.97002423
  H     -1.84064388      0.28583330      1.02687371
  O     -4.38477260     -1.83769209      4.10695115
  H     -4.14551763     -1.57020894     -0.89394734
  H     -0.79667752      0.03290109      2.18028011
  O      1.22209935      2.86756752      3.24430342
  H     -3.84832337     -0.90640772     -2.26037071
  H     -4.69634806     -2.95865481      0.68989370
  O     -0.35990065     -0.42176300     -2.07443082
  H     -2.84494590     -3.67532446     -1.38772825
  H     -3.15864442     -3.06287177      0.70670518
  O     -4.89854046      2.32857077      2.31999524
  H     -2.33775710     -3.03492528     -2.69147489
  H      1.86957759     -0.21186338      0.08356478
  O     -3.19661008      0.77721294      3.96460181
  H     -0.55422446     -2.79461415      0.38854416
  H      1.31082040     -1.63302385      0.30922598
  O     -2.47856813      3.17467286      1.02178499
  H     -0.66452845     -3.17750244     -1.09110979
  H     -1.75487613      3.18990831      2.73415785
  O      0.41361904      3.00660428      0.52616147
  H     -4.06887746     -0.92857614      4.16985566
  H     -1.98121538      2.35006610      3.99197665
  O     -2.27253769      0.96673827     -0.60234205
  H     -3.62949414     -2.39954413      4.31907686
  H      1.19764508      1.91154242     -0.57682318
  O     -1.70144198     -0.13723221      1.88174272
  H      1.73853443      3.42886284      3.81572795
  H      2.38929690      1.71125602     -1.54215796
  O     -3.92686982     -3.06359715      0.11697736
  H      0.28746017      2.98663533      3.49653795
  H     -1.67582162     -3.88146035      5.24118537
  O      1.81999681     -0.92793150      0.72796575
  H      0.39008637      0.16292927     -1.90683660
  H     -1.50956738     -2.39716276      4.83562580
  O     -1.43477643      3.05870610      3.63822249
  H     -0.25369398     -1.19553839     -1.49990900
  H     -1.74121299     -3.16631548      2.71414965
  O      1.64626750      1.26246684     -1.14745556
  H     -5.65851034      2.87325460      2.50826283
  H     -1.76756056     -1.88741057      1.84644118
  O     -1.93786381     -3.23690333      4.58973981
  H     -5.21152441      1.59698251      1.75736878
  H     -6.74625492     -2.79883627      2.25711645
  O     -1.72729984     -2.85635714      1.80242558
  H     -3.87308067      1.34211670      3.56909194
  H     -5.40850765     -2.20509442      2.76057777
  O     -5.95144432     -2.35955102      1.96658813
  H     -2.68704984      0.42450817      3.21402627
  H     -5.35545651      0.01275548     -0.05811168
  O     -5.71089109      0.23415224      0.81140629
  H     -2.41889435      2.47545922      0.35291824
  H     -5.88468724     -0.61339900      1.23946151
          69
 Energy    -250.68238233038136     
  O     11.41918497     12.57586317    -10.11416052
  H     12.02963625     13.32751372    -10.18450694
  H     16.86739046      9.82915927     -9.97411911
  O     11.32067648      7.26885575    -15.46415466
  H     10.96330883     12.47436812    -10.95829517
  H     13.89849766      8.05534726    -11.78283617
  O     10.96221278      8.73855290     -9.30962123
  H     11.04229981      6.47693599    -15.91511149
  H     14.02144716      9.29976987    -10.87338635
  O     13.03975743      8.06814139    -13.37534419
  H     10.52087324      7.67301400    -15.08129402
  H     14.56653793     15.55544238    -13.54189935
  O     12.11739864      9.91154775    -16.24980724
  H     11.66975841      8.14994075     -9.02075346
  H     15.16117697     14.29467626    -12.86445374
  O     10.78970038      9.18169819    -12.01234841
  H     11.03563083      9.52239918     -8.75226098
  H     13.71905236      7.61959929     -9.44978380
  O     14.07678334      9.87167211     -7.52875170
  H     13.54551189      8.77525893    -13.80317565
  H     13.58957216      6.42981355     -8.46657899
  O     13.62081790     11.04037635    -11.01519638
  H     12.52065694      7.64132314    -14.06689934
  H     17.79196612     10.35914109    -13.70033520
  O     11.50433046     11.12404376     -7.81966715
  H     12.99097376     10.02517135    -15.85621762
  H     16.93947317     10.16409134    -12.42852932
  O     16.46015090     13.25037361    -12.40278947
  H     11.89885598      8.97793610    -16.13558006
  H     10.18067380     11.78937247    -13.59744522
  O     13.16012409     12.29188887    -13.47511287
  H     10.79699421      8.98436749    -11.06480573
  H     10.60851483     10.91315292    -12.40256163
  O     16.84106721      9.42451223    -10.84867243
  H     11.59593417      8.81902360    -12.39962643
  H     14.91298871     12.05887078    -10.23456181
  O     14.25480366      8.35944652    -10.93770288
  H     13.84655077      8.96345520     -7.76187658
  H     16.02571991     12.13858468     -9.18158276
  O     14.33326740     14.78104218    -13.03809338
  H     13.25408427     10.37233368     -7.57675595
  H     13.97059802     10.96839321    -14.26719710
  O     13.34989810      7.34380582     -8.59156960
  H     13.61876667     11.41364473    -11.90671864
  H     15.32730186     10.23292111    -14.24575809
  O     16.94397161     10.56689765    -13.31496867
  H     12.83878397     11.40924254    -10.58659057
  H     10.71270210     10.85053597    -15.71581740
  O     10.53347366     11.83471051    -12.69998014
  H     11.40813808     11.70985514     -8.58989661
  H      9.49819455     11.71721146    -16.11758424
  O     15.54523146     12.67002433     -9.82566780
  H     10.98580742     11.51002967     -7.11794798
  H     17.15372495     10.54742381     -7.46423356
  O     14.42353950     10.16666568    -14.57522549
  H     16.65368967     12.38722745    -12.78547313
  H     15.69634421     10.35634794     -7.94375042
  O      9.89354312     11.25740883    -15.38169473
  H     16.30218012     13.09621653    -11.46043469
  H     14.17723490     13.99623568     -9.99377245
  O     16.58995983     10.61979767     -8.22946182
  H     12.22170258     12.24717828    -13.24790711
  H     13.63826898     14.71941025    -11.23563486
  O     13.39929468     14.45463034    -10.33941546
  H     13.46057883     13.20509214    -13.39234073
  H      9.64116633      8.76015318    -13.41537802
  O      9.28646267      8.64511504    -14.30901988
  H     16.02545672      8.90553521    -10.87238379
  H      9.29697207      9.52508037    -14.70427570
          69
 Energy    -250.68208204041582     
  O     18.25860813      8.38882857     -9.78540180
  H     17.40379468      8.70276097     -9.46360473
  H     16.85729306     12.11852134     -7.20118495
  O     14.58462760      8.39788847    -10.73915053
  H     18.20774362      7.42569448     -9.75463857
  H     18.35888891     11.79070771    -10.61683213
  O     19.52588542      3.39530903    -12.90572820
  H     14.90162409      9.14406518    -11.26157441
  H     16.94090488     11.28694734    -10.99012568
  O     21.35187179      7.17431750    -11.98317894
  H     14.88875342      8.56911965     -9.83709455
  H     19.16966928      9.19261733     -8.41250613
  O     15.89792473      8.88529414     -8.32303781
  H     19.52744393      2.46270164    -13.10246299
  H     18.78078077     10.33905211     -7.46370953
  O     18.32876101      6.54094912    -15.42990786
  H     18.64701031      3.73512396    -13.15354828
  H     19.06345128      8.95971827    -11.22442878
  O     22.91079549      7.97458012     -9.77574845
  H     22.00436209      7.43959634    -11.32346164
  H     19.79154442     10.13922906    -11.92055568
  O     16.81210911      6.44345238     -7.20406487
  H     20.73861690      7.91806382    -12.07005411
  H     20.39009035      4.83760217    -13.85598162
  O     21.45958271      6.14783841     -8.44528426
  H     16.22398672      9.69279805     -7.90690504
  H     21.00500046      6.21896564    -13.54777272
  O     19.57808958      7.08187294     -6.63090369
  H     16.16838189      8.12901100     -7.78538823
  H     16.68880249      5.07157143    -13.04219423
  O     17.63341015      5.67019803     -9.69755302
  H     19.19178213      6.28006249    -15.05970298
  H     17.45215927      5.16582840    -14.37600866
  O     17.14585197     11.31716978     -7.62879265
  H     18.41621730      6.51246296    -16.37875586
  H     15.41769880     10.90352414    -12.99617723
  O     17.45465207     11.70677086    -10.29010090
  H     22.42065388      7.33183727     -9.22931529
  H     16.39738961      9.72116584    -12.85231699
  O     19.48527348      9.70894312     -7.65419020
  H     23.83593729      7.84512533     -9.58459831
  H     22.08292704      9.65562098     -9.49149785
  O     19.50652557      9.22709240    -12.04696865
  H     16.32735263      5.76406632     -6.74165523
  H     20.96259665     10.26216799     -8.61646868
  O     20.61513184      5.68735660    -14.25456851
  H     17.06863254      6.06701532     -8.06430104
  H     17.67369510      7.83983147    -14.29617387
  O     17.19295982      4.54943612    -13.68012871
  H     20.82155891      6.39993311     -7.76224685
  H     18.21169216      8.69534650    -13.11194142
  O     15.91703961     10.40272446    -12.35443403
  H     20.99826593      5.57756065     -9.07035720
  H     20.66320423     12.54375799    -11.51771016
  O     21.58534663     10.46561691     -9.32803864
  H     18.64699639      6.84468707     -6.70129879
  H     20.72708809     11.36765143    -10.51234682
  O     17.40295835      8.40078821    -13.55927952
  H     19.61565125      8.03491370     -6.78693551
  H     15.46716473      6.99674894    -11.47493460
  O     20.17480045     11.79145574    -11.19588479
  H     17.08083229      5.85262582    -10.47166526
  H     16.63981484      7.08723958    -12.46179353
  O     16.15601748      6.46612129    -11.90105474
  H     18.48509610      5.33454585    -10.01008279
  H     19.96188432      4.33765266    -11.37131442
  O     20.10488706      5.00708296    -10.69069843
  H     17.23236743     11.51865455     -8.57930581
  H     20.51821807      5.76185596    -11.13405061
          69
 Energy    -250.68132072496087     
  O     15.78265462      5.86869494    -13.57468686
  H     16.45966953      6.29427108    -13.02947673
  H     18.72623415      7.98564827    -15.08738184
  O     16.79697421      9.94474536    -11.55492640
  H     14.97182710      5.82387769    -13.04989480
  H     14.54360859     11.82824732    -15.96530166
  O     17.67175658     12.27928100    -15.55130106
  H     16.54740092      9.88195447    -10.62540851
  H     15.80500386     12.37382324    -15.27758692
  O     13.43256751      5.71189272    -16.89130036
  H     16.00574307     10.21575383    -12.04365736
  H     14.42140749      8.32816510    -15.29821728
  O     13.38029480      8.51100444     -9.48158192
  H     18.01866940     11.71289173    -14.83969199
  H     15.29801679      7.46474444    -14.32628682
  O     13.40320500      6.08628484    -12.20069072
  H     18.23952264     13.04453339    -15.58961643
  H     11.17250020      7.30520725    -14.46513098
  O     14.60832176     10.46876113    -13.13159877
  H     14.39028492      5.63256826    -16.73457251
  H     10.02696157      8.34918974    -14.51716522
  O     17.01879300     10.44666080    -17.63617250
  H     13.22402599      5.11788014    -17.60764625
  H     16.48672500      7.63103154     -9.28722364
  O     14.08171143      5.71719517     -9.52698479
  H     13.00027231      8.68183250    -10.35322250
  H     17.07745247      6.80297609    -10.44520211
  O     17.43701766      8.10020921    -16.28906694
  H     13.46802226      7.55260624     -9.40915034
  H     12.40916521      5.55602755    -15.24361627
  O     16.07600082      5.57785634    -16.32840010
  H     13.18806881      7.03012839    -12.19329301
  H     12.37261622      5.64724059    -13.69074255
  O     19.34415764      7.98105581    -14.33589060
  H     13.56419635      5.83141474    -11.28350049
  H     18.06068366     10.51524035    -12.80677688
  O     14.84880958     12.28226331    -15.17092314
  H     14.88076505      9.71170842    -13.67601727
  H     18.97015861      9.80245936    -13.82854948
  O     15.18352712      8.34597081    -14.70589739
  H     14.60979315     11.22956082    -13.72828576
  H     18.33805490      7.46563639    -12.83200825
  O     10.97538157      8.26050182    -14.47342473
  H     16.05897926     10.53119262    -17.68565889
  H     17.32051813      8.24769349    -11.97126695
  O     16.59603109      6.72796693     -9.61156307
  H     17.30358320     11.10766326    -16.99109808
  H     15.89759998      9.92054666     -8.13789732
  O     11.82740571      5.70076671    -14.48815934
  H     15.01430785      5.99935474     -9.54737596
  H     14.95468496      9.17902822     -9.11623066
  O     18.61217263     10.66389866    -13.58610277
  H     14.01497955      5.02890168     -8.87116403
  H     13.61019821     11.04672278    -18.23272184
  O     17.64856080      7.35694419    -12.16580182
  H     17.42583702      8.85418571    -16.89526479
  H     13.70743381      9.91994537    -17.18476898
  O     15.88245205      9.42771809     -8.95372702
  H     16.67749243      8.24133814    -15.70409183
  H     11.97629539      8.72765685    -12.90386311
  O     14.14157629     10.72501216    -17.50767785
  H     16.63604452      6.34227097    -16.51124028
  H     13.27286877      9.46020898    -12.47258287
  O     12.62834264      8.79127845    -12.19697135
  H     16.06073064      5.48998412    -15.36379358
  H     13.07722745      7.51283973    -16.72141070
  O     12.98569323      8.43535997    -16.44485288
  H     20.17598036      7.65067192    -14.66490721
  H     12.24986454      8.48098767    -15.82008725
          69
 Energy    -250.67868792503461     
  O     12.58957698      5.08297183    -15.37250773
  H     12.21382316      5.24614518    -14.48798501
  H     16.25766894     10.63887043    -15.76472283
  O     17.07402567      6.62096705    -11.57901677
  H     11.89690959      4.69321665    -15.89858871
  H     15.26836350      8.98414352    -13.09099725
  O     16.81149424     11.18465043    -11.27492837
  H     16.67817150      7.45862252    -11.86995385
  H     16.76817548      8.79701544    -13.47493170
  O     17.92029223      8.07059975    -14.82869531
  H     17.91619470      6.86436388    -11.17734807
  H     12.22818309      4.80096163    -12.30907025
  O     14.74247636      3.70558222    -13.98070531
  H     17.42962048     11.62387483    -11.86880706
  H     11.89766578      6.29788042    -12.39157284
  O     12.77173951      9.90845199     -9.77520775
  H     16.57469770     10.35922248    -11.72848691
  H     17.16413295     10.11186682     -9.76530760
  O     14.69602027      6.06415581    -10.31242256
  H     17.46285516      8.40458132    -15.60873474
  H     18.01288125      8.85258282     -9.55433893
  O     13.71987386     11.63970858    -14.12722565
  H     17.62570594      7.15773502    -14.69847862
  H     13.45514668      3.14041496    -10.71091902
  O     14.80974045      8.17548512     -8.63328493
  H     14.39058957      3.65453838    -13.08280824
  H     13.96648512      4.58408912    -10.91513743
  O     16.62529063      5.69329405    -14.15037137
  H     14.01272507      4.01497031    -14.52972089
  H     18.88472017     12.71606866    -13.76895569
  O     19.56601679      9.33467743    -12.94251253
  H     13.23174945     10.59435329    -10.29080206
  H     17.72923087     11.74447803    -14.09712089
  O     16.36565097     11.37974862    -15.15829996
  H     12.15539352     10.36115083     -9.20578751
  H     20.22934532      7.72475147    -10.28807606
  O     16.16222659      8.93068481    -12.73441983
  H     14.69767539      6.71364708     -9.59129872
  H     19.47631902      8.45472562    -11.42340241
  O     11.74417212      5.45272428    -12.83308341
  H     15.56534402      6.13208921    -10.73026777
  H     15.04581086     11.67296896    -11.17789778
  O     17.27529061      9.34913979     -9.18302223
  H     12.95952946     12.00118321    -14.57608022
  H     13.92542976     11.83479642    -12.22109523
  O     13.55472905      3.82634871    -11.36596586
  H     13.57718772     10.67894320    -14.06076072
  H     13.86704510      6.36707137    -15.61960961
  O     18.44680272     11.92557573    -13.46471066
  H     15.68106848      8.58437140     -8.74931030
  H     15.29048024      6.57716662    -15.03666905
  O     19.35671071      7.91827381    -10.61953281
  H     14.16009977      8.83468755     -8.89890138
  H     12.63747222      8.46184084    -10.89896799
  O     14.08548954     11.73856517    -11.27605841
  H     16.82905285      5.90738963    -13.22859183
  H     13.44483219      7.16171822    -11.14153002
  O     14.58466898      7.00904291    -15.54054924
  H     16.08391862      4.89057595    -14.13194331
  H     13.82292372      8.25659522    -14.45376744
  O     12.75448962      7.72691853    -11.51536941
  H     19.29153364     10.25063708    -13.06879850
  H     13.20645296      8.51390113    -13.03774281
  O     13.56620915      8.94486650    -13.82698365
  H     19.16109591      8.84235211    -13.66934937
  H     15.47680550      8.29991350    -16.43755793
  O     16.07174963      8.99119396    -16.77214663
  H     15.48571656     11.56639236    -14.80692918
  H     16.07476466      8.91235315    -17.72327113
          69
 Ord_Energy   -250.677628    
 O   0.937488019       3.83200431     -0.657976627    
 H    1.24135125       4.73459005     -0.704649568    
 H   0.524902105       3.71579456      0.217340887    
 O    2.43902922      -2.74563336      -2.59230304    
 H    2.44993067      -2.69036722      -1.61872065    
 H    3.17856312      -3.29088116      -2.84621906    
 O   -4.81704807       2.44616675      -3.49692965    
 H   -5.29176950       3.13090992      -3.96038079    
 H   -4.17799711       2.07325721      -4.13090563    
 O  -0.100016817       6.60883486E-02 -0.731401920    
 H  -0.573738933      0.820990622      -1.09874666    
 H   0.658960760      -5.86616807E-02  -1.31665909    
 O  -0.546323478      0.660120189      -4.11501598    
 H   -1.03135312     -0.117787033      -3.79728436    
 H  -0.691542923       1.35775590      -3.45700955    
 O   -1.02797019       2.37387514      -2.01317620    
 H   -1.90589082       2.48112845      -1.62769032    
 H  -0.408267409       2.97559381      -1.58093989    
 O   -3.10581779       2.77203965       1.63500297    
 H   -3.34382415       2.60879445      0.707362711    
 H   -3.82066131       3.27570438       2.01692677    
 O   -2.21349239      0.194638029       2.55703902    
 H   -2.57052159       1.05874288       2.32214499    
 H   -1.25170970      0.276536494       2.49748898    
 O  -0.583846509      -2.51601672      0.114983603    
 H   -1.41810012      -2.52634096      0.595713735    
 H  -0.487316579      -1.61136985     -0.222829416    
 O   -5.60118103     -0.299445212      -3.04082942    
 H   -5.52610683      0.651601911      -3.18471313    
 H   -5.04379082     -0.486554652      -2.27256346    
 O   -3.10277843      -2.01493788       1.30116057    
 H   -2.81020141      -1.23843372       1.81316078    
 H   -3.67127752      -2.52543044       1.87079239    
 O   0.480907232      0.625428796       1.91660631    
 H    1.41468799      0.397198737       1.97935927    
 H   0.246810958      0.453881860      0.990872145    
 O   -3.58418584     -0.592840850      -1.08998764    
 H   -3.47115302      -1.13376486     -0.300409079    
 H   -2.97784138     -0.922367215      -1.77035260    
 O    1.84576368      -9.96457972E-03  -2.76559496    
 H    1.14262879      0.186151177      -3.39893866    
 H    2.08552670     -0.941226482      -2.85520768    
 O   -4.18522072      -1.45025206      -5.06912041    
 H   -4.69354200      -2.04235816      -5.61613083    
 H   -4.78677750      -1.11096430      -4.38215494    
 O    2.88124824       1.66919184     -0.781686723    
 H    2.27061510       2.41421008     -0.753159404    
 H    2.64632964       1.15614927      -1.56781685    
 O   -3.12124228       1.22195685      -5.23841286    
 H   -2.18533850       1.12773907      -5.02234650    
 H   -3.45541143      0.324098736      -5.35614204    
 O   -3.61710835       2.15003896     -0.987946391    
 H   -4.09128380       2.38418531      -1.79597759    
 H   -3.59187722       1.17994547     -0.959050596    
 O    2.24998689      -2.46009994       9.29485187E-02
 H    2.55864716      -1.67829251      0.565743208    
 H    1.31142843      -2.56533122      0.298117697    
 O  -0.342535913      -3.48071170      -2.51480103    
 H   0.594952524      -3.32887363      -2.68127418    
 H  -0.463588983      -3.32516551      -1.56699896    
 O  -0.295834959       3.29661322       1.66952991    
 H   -1.25693858       3.22802258       1.70576084    
 H    4.19021510E-02   2.41618991       1.88748562    
 O    3.15002060      -2.66097803E-02   1.32921422    
 H    4.00941801       8.11213106E-02   1.72756267    
 H    3.10495472      0.602001786      0.585858405    
 O   -2.05941033      -1.49452507      -3.21914387    
 H   -1.49770939      -2.27122712      -3.07781911    
 H   -2.70637584      -1.68161845      -3.90943313    
          69
 Energy    -250.67754593764104     
  O     -8.23258678     -2.11034016      6.13441009
  H     -7.37556512     -1.77837750      6.42675623
  H     -3.06669545      1.06724047      2.19299804
  O     -9.41167822     -2.24475548      1.80228320
  H     -8.88070441     -1.41202276      6.28692881
  H     -6.89781739     -0.67667526      3.26164821
  O     -8.35641033     -3.75211598      3.99880054
  H     -9.16239781     -2.86815225      2.49641657
  H     -7.33963332      0.73987408      2.74778371
  O     -5.64336088      0.40651326      0.39227264
  H     -9.82514822     -1.51061729      2.27473010
  H     -5.06503567     -1.26056711      6.02453464
  O     -6.46698170      1.29802828      5.85846552
  H     -8.36116005     -3.17739096      4.78617719
  H     -5.06483981     -1.49017352      7.55473783
  O     -4.86229353      5.03043167      0.80782484
  H     -8.51358586     -4.64018653      4.30689699
  H     -0.87329479      2.24278618      1.36648216
  O    -10.24320503     -0.08515387      6.39098708
  H     -6.07807527     -0.43494886      0.21721495
  H     -2.09240576      3.01225602      1.93330524
  O     -4.25157943     -1.38074761      4.49730474
  H     -6.35622738      1.01734605      0.64116798
  H     -9.45669532      5.08617078      4.12700399
  O     -4.07226160      2.67416385     -0.30552284
  H     -6.79045711      0.90626059      5.02990839
  H     -8.24993882      4.27562820      3.61369159
  O    -10.09432847     -0.16639269      3.57022468
  H     -6.12909315      0.55911330      6.37771345
  H    -10.34026792      1.43775333      2.63870715
  O     -7.18804341     -1.99402385      0.23806553
  H     -4.84751443      5.71821008      0.14772134
  H     -9.99232134      2.93237974      2.81429713
  O     -3.85470756      0.66063942      2.57483501
  H     -4.63329681      4.20063378      0.35181353
  H     -6.87985660     -2.96794288      3.23930985
  O     -7.32751290      0.14928371      3.51260368
  H    -10.93130230     -0.05551132      7.04999316
  H     -6.38878634     -2.37611033      1.89262134
  O     -5.60028362     -1.16923900      6.83444177
  H     -9.84950042      0.80548574      6.35741725
  H     -9.11629747      2.97705667      5.49348932
  O     -1.82499049      2.23261257      1.41387594
  H     -3.96669113     -0.64992510      3.93510909
  H     -8.09241872      2.06582870      6.20188995
  O     -9.12747500      4.19621215      4.02140555
  H     -4.83794863     -1.90269222      3.93076127
  H     -3.50349317      4.72352392      2.17249875
  O    -10.19826242      2.26147819      2.15180132
  H     -3.22972821      2.48171906      0.12511569
  H     -3.46580501      3.88066011      3.46069404
  O     -6.19587807     -2.41530486      2.83702884
  H     -4.59427305      1.86469862     -0.23900204
  H     -5.27255146      2.33164934      4.93538923
  O     -9.02536030      2.32390452      6.19623864
  H     -9.12824190     -0.08276638      3.59634065
  H     -4.48164247      1.99585426      3.64841270
  O     -2.90117385      4.31025027      2.80332709
  H    -10.36594456     -0.20678203      4.49368329
  H     -7.22540058      2.78944483      1.82228267
  O     -4.77381283      2.72896406      4.20981414
  H     -7.30075179     -2.53996858     -0.53587435
  H     -8.54740077      2.04894286      1.49450830
  O     -7.58400673      1.99071881      1.41562061
  H     -8.03458243     -2.02182785      0.71977014
  H     -5.99817468      3.72760091      3.36569731
  O     -6.62738197      4.21350107      2.81112221
  H     -4.46421199      0.49157930      1.84363566
  H     -6.11005988      4.63321199      2.11185731
          69
 Energy    -250.67711399661283     
  O     -0.62253657      2.21414088     -1.43577585
  H      0.12453257      1.60194138     -1.36604598
  H     -2.47976453      0.34972522      3.96814762
  O      4.03715271      2.22884728      2.54897598
  H     -0.48605750      2.86716127     -0.74100598
  H      0.99401437      0.01437790      4.49558627
  O      1.40693011      1.53989503      1.78925931
  H      4.37582504      1.37599366      2.24544394
  H     -0.24051965     -0.24215899      3.56913712
  O     -2.87083335      0.79787238     -0.92841411
  H      4.20863373      2.87562988      1.85160385
  H      3.93382949     -0.79001020      1.60870938
  O     -2.70606732      2.28015761      1.45159856
  H      2.28211412      1.84761919      2.05394257
  H      5.47790456     -0.82381590      1.57223992
  O      1.44587642      0.47277044     -0.79049225
  H      1.13956823      0.86875581      2.43053846
  H      3.43337254      2.81601011      4.14951383
  O     -1.71752780     -1.25144827      0.69622886
  H     -2.08032102      1.29526285     -1.20729417
  H      2.50740335      2.41624529      5.32000250
  O      1.81606574      5.30148725      1.25087745
  H     -3.47103583      0.79233325     -1.66877872
  H     -3.41628192      3.15138877      2.94555432
  O      4.17943232      3.91584233      0.31506832
  H     -2.93056624      1.81180291      0.63871917
  H     -2.66261856      4.01589858      3.96320951
  O      0.66156923     -2.16739120     -0.20456607
  H     -1.91030604      2.79858352      1.26515089
  H      1.65050306      0.64048656      6.88451915
  O     -0.73442118      4.34809756      3.86880508
  H      1.45273252      0.80122068      0.12203913
  H      0.65838948      1.47660160      6.03465715
  O     -1.98507200      0.16378716      3.16133062
  H      1.22182902     -0.46366103     -0.73599719
  H     -4.12841096      1.14630956      5.90894415
  O      0.71386587     -0.37329102      3.65610707
  H     -2.16081861     -0.62499940      0.11037145
  H     -3.51189555      2.11101515      4.86707858
  O      4.72737193     -0.25084995      1.44034297
  H     -1.86209767     -0.93107492      1.59448953
  H     -1.64843591      1.97294075      5.84133424
  O      2.95268844      3.16723884      4.91256127
  H      2.62212599      4.88161449      0.92751956
  H     -0.74458368      3.05780398      5.21298148
  O     -3.48485761      3.52619411      3.83520380
  H      1.92691451      5.43401881      2.20112755
  H      3.17180866      1.11654849     -1.00160978
  O      1.48564363      0.95947239      6.00136401
  H      4.11695247      3.07884541     -0.17956510
  H      4.40078843      0.81585400     -0.13769183
  O     -3.35567901      1.29070012      5.37025630
  H      4.86836526      4.42638464     -0.10298405
  H      0.35626701      4.30884568      1.04814883
  O     -0.77350825      2.37373785      5.89519108
  H     -0.20534702     -1.88650106      0.14055736
  H      0.27180529      2.80182113      1.37144854
  O      4.05939659      1.43783841     -0.79204989
  H      0.51379123     -2.97023768     -0.69670412
  H      1.91659025     -1.96427462      1.19901133
  O     -0.26686688      3.57058241      1.12229456
  H     -0.63914735      4.06702693      2.95111670
  H      1.89976743     -1.36816010      2.61776386
  O      2.48990385     -1.70645211      1.93097835
  H      0.06422674      4.85720422      4.05761921
  H      2.15518896      6.19848094      4.66917889
  O      1.82785824      5.48813311      4.12403575
  H     -2.17633920      0.90528033      2.56931398
  H      2.24436312      4.66932145      4.44937525
          69
 Energy    -250.67709109615561     
  O     17.35821737      5.82283334     -9.35827679
  H     16.72325355      5.37286390     -9.92809631
  H     16.21330621      9.88437269     -9.44172582
  O     17.91090244      4.81501723    -12.71344396
  H     17.71478810      6.55395767     -9.88909361
  H     16.31298994      9.97950908    -13.14381005
  O     17.85088411      7.46788274    -13.60943754
  H     17.86320324      5.68130710    -13.14090446
  H     15.29768563      9.81225639    -14.30201774
  O     21.56075230      6.93906498    -12.60217044
  H     17.06619059      4.69832461    -12.26240102
  H     20.71896675      3.65559321    -11.92346907
  O     15.49395256      4.95503123    -11.22243929
  H     18.65132652      7.80188514    -14.03630664
  H     19.49725139      4.59384729    -12.03256454
  O     20.33215833      8.33843059    -14.55050816
  H     17.13248355      8.08829973    -13.78307413
  H     12.42718703      5.73430569    -10.43744959
  O     20.76189809      7.71762061     -7.81040754
  H     21.21960021      6.08246012    -12.31723479
  H     12.90898271      6.94928510    -11.25092134
  O     13.69599029      6.00584734     -7.43198495
  H     21.48520295      7.52646840    -11.83788549
  H     13.81723931      8.79747832     -8.93936808
  O     20.85307378      8.67900211    -10.51381399
  H     15.22971253      5.85417581    -11.46874788
  H     15.23149692      8.29304495     -8.56040695
  O     18.22115707      7.93378471    -10.86874294
  H     14.76572595      4.58901614    -10.70593271
  H     14.95399391      8.17167099    -12.38342587
  O     18.43414094      9.15394776     -7.22836029
  H     20.83335694      7.79721272    -13.91235199
  H     14.73605872      8.04576907    -10.84912274
  O     17.12054539     10.19643223     -9.57515808
  H     20.82693128      8.33467914    -15.36492700
  H     20.20719210      9.85561303    -13.35998271
  O     15.75785617      9.33282799    -13.61887673
  H     20.54054872      6.86107854     -8.22129015
  H     20.46620210     10.02760298    -11.85588760
  O     20.40134696      4.52071498    -11.67744540
  H     21.51579875      7.56039014     -7.24802464
  H     16.92559317      7.92440253     -7.15245748
  O     12.15559843      6.60616006    -10.75103022
  H     14.55839260      6.39161362     -7.23306235
  H     16.62127586      6.69238532     -8.02987218
  O     14.74816717      8.85284457     -9.18614798
  H     13.11065963      6.74675948     -7.63307275
  H     11.26490009      8.54505434     -8.33590003
  O     14.63580574      7.58054557    -11.69160721
  H     19.94370614      8.37280998    -10.66314343
  H     12.01417398      7.63023053     -9.33643812
  O     20.07363542     10.46314842    -12.62263900
  H     21.02837147      8.49323455     -9.58687771
  H     17.26975216     10.93517228    -11.29182633
  O     16.22456859      7.30950520     -7.39296363
  H     18.07475050      7.81027821    -11.81553584
  H     18.32355079     10.88537661    -12.42102224
  O     12.11481342      8.15678427     -8.52255400
  H     17.80002358      8.75785256    -10.59387768
  H     19.09879693      5.38603507     -8.98563379
  O     17.37428538     10.97660304    -12.25030063
  H     18.65199185      9.73350044     -6.50112789
  H     20.31249759      5.08597667     -9.86896591
  O     20.06637313      5.39645015     -8.98934977
  H     19.24179346      8.65739530     -7.43425993
  H     12.96542997      3.47232050     -9.22357731
  O     13.33909421      4.29447112     -9.52943438
  H     17.61351922      9.96095475     -8.78070366
  H     13.49928635      4.84059794     -8.73940384
          69
 Energy    -250.67476851534661     
  O     -3.96654545      1.40525163      0.01923519
  H     -4.07007083      0.95263293      0.86762014
  H      0.24892803     -4.23224129     -0.27033271
  O     -1.94109001     -1.56801320      7.55813529
  H     -3.15745932      1.92425477      0.10827612
  H      0.00164220      0.90177508      2.73954143
  O     -2.39399000      0.74206314      4.70431678
  H     -2.32695411     -2.45158004      7.50369445
  H     -1.17553654      1.56901738      3.47743128
  O     -3.97113643      0.14974938      6.96817604
  H     -1.34528298     -1.49986343      6.79934565
  H     -2.09564981     -2.17603342      0.90252078
  O      0.58901523     -0.89732106      2.65442555
  H     -1.81395021     -0.02649518      4.81417898
  H     -1.39290808     -0.94374542      0.23512336
  O     -3.20673173     -4.03173737      6.87270296
  H     -2.99520892      0.72697494      5.45800417
  H     -4.36897568     -1.63131149      2.87916315
  O     -0.74489867     -1.50108233      4.99858026
  H     -3.24126492     -0.41658713      7.27830119
  H     -4.94797262     -2.46017266      4.05320741
  O     -1.46093710     -5.35735454      2.17713445
  H     -4.26967695      0.65165930      7.72191444
  H     -1.05893015      2.25731699      1.20322928
  O     -3.58107515     -0.22138956     -2.11337664
  H      1.32861297     -1.28652966      2.17496772
  H     -1.03567010      3.41529855      0.18047976
  O      2.37743304     -2.19817820      0.92380060
  H     -0.20202127     -1.10958284      2.13310937
  H     -4.91083563     -1.35895021      6.17508650
  O     -0.28396920     -3.82218487     -2.02424682
  H     -3.22943257     -4.93959415      7.16354080
  H     -4.67173239     -2.87037926      6.30219825
  O      0.50213439     -4.36101481      0.65291148
  H     -2.84253227     -4.03381944      5.97117724
  H      0.79876083     -2.29671420     -1.75642253
  O     -0.54469661      1.69848115      2.75854035
  H     -0.12196186     -1.31388915      4.28353412
  H      0.57715993     -0.81550782     -1.41525739
  O     -1.60861005     -1.36274072      1.07802408
  H     -1.23507990     -2.29221656      4.73542946
  H     -2.91741814     -0.43076217      1.91209639
  O     -4.55847983     -2.53537499      3.16985779
  H     -1.39944337     -6.30788672      2.13818687
  H     -3.32862462      0.32407406      3.19915327
  O     -1.33959520      2.52076960      0.30841665
  H     -0.70629688     -5.00629734      1.66963749
  H     -1.77583901      0.07027530     -1.67427496
  O     -5.19591050     -2.21333543      5.82870169
  H     -3.81906412      0.34107914     -1.35445346
  H     -0.99938650      1.03051385     -0.73177520
  O      1.25277616     -1.50694651     -1.43611282
  H     -4.09864126      0.08605962     -2.85290184
  H     -3.16974201     -2.05907565     -1.88218975
  O     -3.67600671     -0.04474733      2.37621151
  H      3.32534140     -2.25411015      0.83992492
  H     -3.16865965     -3.24606642     -0.88379166
  O     -0.94533475      0.18344333     -1.19479757
  H      2.03722823     -1.88685140      0.06487244
  H     -3.06790018     -3.29366733      3.89137336
  O     -2.83012626     -2.95027376     -1.74021652
  H     -1.20245974     -3.50426788     -1.96583167
  H     -1.93410734     -4.32803729      3.62989094
  O     -2.29693271     -3.72481384      4.28936685
  H     -0.24214307     -4.39742530     -2.78350793
  H     -2.76416666     -4.32497668      1.28688723
  O     -3.32272318     -3.63319960      0.91088701
  H      1.16650795     -3.69011713      0.84614596
  H     -3.91387709     -3.33442500      1.61546094
          69
 Energy    -250.67450094054914     
  O     13.89811907     12.50861107    -13.99194221
  H     13.36750369     12.17866711    -13.25759166
  H     17.15826695     11.53333110    -15.09361819
  O     14.69048014      6.74854699    -13.87183908
  H     13.62313265     12.00546827    -14.77150381
  H     15.98692589      9.69721779    -15.00803195
  O     18.20283334      8.30854391    -12.14070720
  H     15.54920614      6.35015250    -13.68546554
  H     14.45201534      9.75771410    -14.94330998
  O     11.43791683      8.62741061    -15.88324385
  H     14.87113241      7.66395714    -14.14189207
  H     11.84392936     11.82682345    -11.22654280
  O     15.55627281      7.93774075     -8.76577381
  H     17.57239298      9.04243640    -12.11972748
  H     13.02064772     10.82931219    -11.29642955
  O     13.21365272      7.29952954    -11.63821537
  H     18.29335828      7.99966521    -11.23079092
  H     16.93704764      5.21161491    -11.74325979
  O     16.29344645     10.32674153    -12.24055777
  H     10.52540057      8.56630194    -16.15278361
  H     17.29966554      5.72968866    -10.34029717
  O     15.78746543      7.27533518    -17.74921666
  H     11.43783984      8.72047839    -14.91287722
  H     11.99197745      8.31266951    -12.63184398
  O     14.28341082      5.55004761     -9.71642864
  H     15.09241697      8.64822374     -9.22547817
  H     11.74851696      9.82327923    -12.81234022
  O     13.51535128      6.74405277    -16.39274929
  H     15.05009104      7.13473983     -8.94360533
  H     18.74495672      8.14490603    -15.26563257
  O     17.96266536      6.60356359    -16.12454805
  H     13.43176847      6.65104069    -10.95853421
  H     18.91587904      8.74134811    -13.85282617
  O     17.27602307     10.81659457    -15.72838431
  H     13.71378950      7.04570747    -12.42940484
  H     17.63415211      6.79977072    -12.98962764
  O     15.22087201      9.32854881    -14.54737461
  H     15.82887548      9.92605671    -12.99298990
  H     17.57717322      6.06155940    -14.34964951
  O     12.40164492     11.34860877    -11.83581393
  H     16.52473558     11.21538127    -12.53558241
  H     18.67291926      7.30101058     -8.77420687
  O     16.73165643      5.10296518    -10.80606283
  H     15.67595497      6.96216086    -18.64397343
  H     17.21388845      7.58570654     -9.20439149
  O     11.56385272      8.96224578    -13.20455242
  H     14.95363582      7.08030537    -17.28423958
  H     16.15515636     10.51101336    -17.19544522
  O     19.02653559      8.93693603    -14.79204245
  H     15.12889117      5.31258762    -10.13852389
  H     15.57214303      9.21674166    -17.78630338
  O     17.32018879      5.99088948    -13.42279571
  H     13.97329071      4.77052244     -9.26375100
  H     13.86826297      8.85240784    -10.95069268
  O     18.08478752      7.28929699     -9.52446045
  H     13.83266863      6.56557194    -15.49629946
  H     14.98773204      9.93739550    -11.07442101
  O     15.42996524     10.16879698    -17.73789774
  H     12.76509863      7.34228502    -16.29472384
  H     16.83323491     13.62415735    -13.60307114
  O     14.19982060      9.68123770    -10.57172734
  H     17.20395148      6.85774310    -16.67267967
  H     15.61004013     12.69959865    -13.82008284
  O     16.57781780     12.71092463    -13.69726622
  H     18.54850350      6.10315529    -16.68898204
  H     12.61143346     10.07070234    -16.14070646
  O     13.31481244     10.72426335    -16.05173812
  H     18.00870364     10.26007779    -15.42278320
  H     13.95997579     10.57800692    -16.76124975
          69
 Ord_Energy   -250.673233    
 O   -4.43927002       9.05355549      -7.31785536    
 H   -3.65924668       9.37885189      -7.78360510    
 H   -4.51768255       8.11376762      -7.54321241    
 O   -4.39822483       4.53521681      -4.36594391    
 H   -3.64242458       5.13107443      -4.30154419    
 H   -5.18276024       5.09537554      -4.32967758    
 O  -0.661051929       2.68689013      -9.82518864    
 H   -1.27681887       2.79129815      -9.08109570    
 H   -6.72388524E-02   1.97769928      -9.59115696    
 O   -2.49972916       3.16251922      -7.83888721    
 H   -3.03550553       2.75379920      -7.14767170    
 H   -2.30608201       4.06503439      -7.54579878    
 O   -7.78687668       6.72385597      -9.49929810    
 H   -7.01530695       6.33869886      -9.95113659    
 H   -8.51822376       6.66698408      -10.1095467    
 O   -6.33143377       9.26195717      -9.46750832    
 H   -5.84385204       9.30873680      -8.63509178    
 H   -6.89237785       8.48157024      -9.41046238    
 O   -6.32954025       3.02379537      -7.70059156    
 H   -5.71074820       2.68583846      -7.04168940    
 H   -5.85980606       2.97746205      -8.54317188    
 O   -4.50246906       3.19307065      -9.86394024    
 H   -3.84916449       3.23334980      -9.15334129    
 H   -4.00547504       2.95771241      -10.6611834    
 O   -2.25533581       9.78664684      -9.00369740    
 H   -2.86878443       9.77517605      -9.76265144    
 H   -1.78661513       10.6158571      -9.04044914    
 O   -2.69157720       2.75218153      -11.8790636    
 H   -2.44750738       3.50576329      -12.4296246    
 H   -1.94623411       2.62027431      -11.2794971    
 O   -7.23343992       5.50006008      -7.01560020    
 H   -7.57381678       5.93546867      -7.80715466    
 H   -7.02140141       4.58097553      -7.24716282    
 O   -1.69005263       5.12716198      -13.1658649    
 H   -1.22747183       5.22035170      -13.9941292    
 H   -1.01911974       5.17203045      -12.4596825    
 O   -2.18109941       5.78700399      -7.07924461    
 H   -2.08346200       6.04505205      -6.15525246    
 H   -3.10470843       5.96782589      -7.32118845    
 O   -2.34295416       6.52363300      -4.38462067    
 H   -3.04989648       7.19233608      -4.44963646    
 H   -1.75725031       6.80695152      -3.68836117    
 O   -4.02362585       9.51357841      -11.0128851    
 H   -3.83224440       8.64632130      -11.3906755    
 H   -4.89747286       9.45477962      -10.5986204    
 O   -3.22661757       6.85175610      -11.5712156    
 H   -2.78606439       6.31705284      -12.2426529    
 H   -2.61769867       6.90764046      -10.8207197    
 O   -4.70934629       6.35198450      -7.88554955    
 H   -4.86071968       6.19358015      -8.82601547    
 H   -5.50034618       6.03250265      -7.43563461    
 O   -5.58846891E-02   5.22356844      -11.0042448    
 H  -0.168794021       4.38555336      -10.5381699    
 H  -0.384630412       5.91585493      -10.4153252    
 O   -6.61760616       6.33155441      -4.50225544    
 H   -7.38495636       6.39814711      -3.93939519    
 H   -6.93717003       6.05535793      -5.37825203    
 O   -1.43044925       7.11501646      -9.40742493    
 H   -1.59497392       6.65624285      -8.57235146    
 H   -1.57958519       8.05463314      -9.24191761    
 O   -4.26823854       2.28665662      -5.84914303    
 H   -4.30047178       1.53168452      -5.26772213    
 H   -4.31436253       3.07966089      -5.28454542    
 O   -5.45877457       5.69341755      -10.4876785    
 H   -4.74451447       6.12313271      -10.9782972    
 H   -5.19150782       4.77575350      -10.3333769    
 O   -4.43818808       8.19631290      -4.66076374    
 H   -4.46919918       8.64130592      -5.51905632    
 H   -5.24832106       7.67748642      -4.58770037    
          69
 Energy    -250.67270241231654     
  O     15.27512085     10.57019505    -14.28326858
  H     15.18407472     11.51202367    -14.09457113
  H     20.20848459     12.23294952     -9.82112453
  O     16.43747974     15.22979149    -15.53644766
  H     15.82095229     10.51848507    -15.07947645
  H     21.94551556     16.30412374    -14.43162082
  O     19.19240584      9.25128502    -15.40134914
  H     16.84931198     14.52760379    -16.07558271
  H     20.53450749     16.49322852    -13.83862965
  O     20.97394339     13.64226961    -10.68589054
  H     15.94542432     15.78523909    -16.13441494
  H     21.75221267     12.45128585    -11.89628066
  O     15.89282614     13.85133721    -10.92171099
  H     19.81091565      9.98281036    -15.25841940
  H     21.87363601     10.93249403    -12.14137525
  O     20.94995806      9.61034203    -11.37596095
  H     19.19700827      8.73617565    -14.58684373
  H     16.83573329     10.14129601    -11.49279989
  O     16.93051830     11.27039565    -10.11873272
  H     20.12387740     13.94636177    -11.03988260
  H     16.26642136      9.87318188    -12.94432175
  O     17.06396165     10.49304458    -16.51627604
  H     21.60103433     14.36411958    -10.81714695
  H     17.53540016     12.31811524    -16.72601121
  O     20.29195362     14.02975906    -15.92813479
  H     15.73175193     13.66512208    -11.86305073
  H     18.65562689     13.40209866    -16.69885198
  O     22.69821891     15.70981414    -11.46646559
  H     15.10542181     14.26962060    -10.58381646
  H     23.22523690     14.63203093    -14.92162608
  O     20.57642949     11.54816890    -14.75799169
  H     20.34438180      9.03096026    -11.85399775
  H     23.57418263     15.32929031    -16.25859032
  O     19.72432883     11.46352477     -9.48192800
  H     20.42422607     10.08862879    -10.72446248
  H     18.01727526     15.67536998    -14.58259403
  O     21.46856388     16.68427608    -13.68336168
  H     17.85509379     11.38993081     -9.86630759
  H     18.73763803     15.23998038    -13.27845131
  O     22.14034655     11.79610486    -12.49109374
  H     16.56750893     12.14910711    -10.27675369
  H     23.55966361     14.48758544    -12.71397652
  O     16.97479156      9.65722198    -12.32049649
  H     17.81498303     10.01063112    -16.12702169
  H     23.34175233     13.03892866    -13.18112813
  O     17.71061751     13.26036156    -16.83745554
  H     16.82847421     10.02626389    -17.31470583
  H     18.85718396      7.11301764    -12.62850347
  O     22.85122458     15.13270423    -15.66936249
  H     19.81683123     14.58566890    -15.29420406
  H     18.26033437      8.54115632    -12.60814906
  O     18.87066706     15.67386198    -14.13295957
  H     21.18333538     14.39483494    -15.99359583
  H     17.91591944     11.14618425    -12.95040704
  O     23.74571931     13.87876932    -13.43886918
  H     22.22829448     16.11879649    -12.21569602
  H     19.03133756     11.78714673    -13.83188398
  O     19.06038474      8.02570021    -12.81667643
  H     23.16152469     16.41139938    -11.01680464
  H     15.88226697     13.99829383    -14.25696047
  O     18.26174138     11.98296054    -13.28418955
  H     21.19338968     11.62807975    -14.01779252
  H     16.65920802     12.81729733    -13.62598477
  O     15.80890592     13.28478559    -13.61186423
  H     20.55960640     12.39420478    -15.22433093
  H     17.69066553     14.28677402    -11.32729618
  O     18.54149242     14.22285507    -11.77567038
  H     20.03047613     11.32782852     -8.58714646
  H     18.51604038     13.38865222    -12.27481663
          69
 Energy    -250.67155939415954     
  O     12.33112271     10.06062885    -11.41518291
  H     12.44920655      9.58521637    -12.24754984
  H      9.90564608     12.91883639     -9.80390684
  O     11.34290301     12.44902554    -12.47864377
  H     11.92269380     10.90162338    -11.65553268
  H     11.15258441      7.50958477     -6.99868007
  O     14.02570835     10.64354729     -9.34907948
  H     11.09578076     12.88526754    -11.65173582
  H     11.19127863      8.89415014     -7.68521113
  O     14.90346818      7.15637767    -11.18451401
  H     12.25761737     12.68744473    -12.68681486
  H     11.29926360     11.26534248     -7.63747866
  O     14.24779591     15.65585810    -12.20188100
  H     13.42871423     10.42596856    -10.08170481
  H      9.92507548     10.85717104     -8.20313221
  O      8.75972501      9.77595301    -11.42841160
  H     14.22529973      9.80723876     -8.90702710
  H     14.39871835      7.69334061     -9.36503964
  O     14.01593316     12.97230906    -12.94297741
  H     14.03557455      6.99569888    -11.59665757
  H     13.32335539      7.91850581     -8.26329124
  O     15.86373775     14.43509426    -10.15444766
  H     15.32722170      6.30403499    -11.11144747
  H     15.21488040     11.43500786    -10.38745101
  O     10.71045432      8.00488476    -10.47251326
  H     14.30335257     16.50713159    -12.62694665
  H     16.07377597     11.00167030    -11.58438205
  O     12.39848644     15.68584163    -10.21467673
  H     13.53443184     15.71587796    -11.54086966
  H     12.92325839      9.48541404    -14.30253551
  O     14.15881589     14.89590855     -8.08999420
  H      9.06069870      9.98825291    -12.31886176
  H     11.36976418      9.44244039    -14.12430755
  O     10.70674985     13.42600305     -9.98559493
  H      9.30199115      9.03537707    -11.12329816
  H     10.36739823     11.37363072    -13.48665820
  O     11.46809452      7.96396004     -7.77541265
  H     14.11586453     13.92683381    -12.83772474
  H      9.40775765     11.04587032    -14.65507771
  O     10.65344138     10.54742918     -7.65234693
  H     14.59961231     12.56289784    -12.28823600
  H      7.73717063     11.71481532     -9.17294822
  O     14.25044367      8.07006054     -8.48948969
  H     15.46934356     14.90936095    -10.89672307
  H      8.65155934     10.95686865    -10.16277863
  O     15.76979761     11.77993716    -11.10434269
  H     15.99924643     13.52789575    -10.45814983
  H     15.01601794     10.11889788    -13.80312990
  O     12.18134744      8.93434740    -14.00823420
  H     11.26478813      8.76123184    -10.72172785
  H     14.24830707     11.43309704    -14.04971434
  O      9.89776232     10.65055873    -13.93826771
  H     10.87706282      7.85539413     -9.53405958
  H     16.99010621      8.94976798    -12.79918094
  O      8.64766966     11.60112747     -9.43271148
  H     12.92041703     15.53779240     -9.41567165
  H     15.72086553      8.59781156    -11.99867581
  O     14.36371539     10.53347768    -14.38095478
  H     11.68138214     15.04010499    -10.18402350
  H     12.35246089      7.37919371    -13.04684522
  O     16.16937988      9.31430981    -12.47391248
  H     14.59098842     15.39709183     -7.40378395
  H     11.77287182      6.99463474    -11.67008183
  O     12.47702190      6.78065312    -12.29617464
  H     14.83150376     14.71166937     -8.77002991
  H     13.13925864     11.90568468     -8.49506268
  O     12.56368401     12.58050113     -8.10249645
  H     11.36344846     13.13419958     -9.33526300
  H     13.10897052     13.36207109     -7.95493134
          69
 Energy    -250.67134984961589     
  O     14.52621523     10.91691714     -9.50072933
  H     13.98773668     11.71676957     -9.54392829
  H     12.19288163      6.51815129     -9.55403752
  O     14.63825943     13.25084420    -12.39819299
  H     15.10271112     10.93392384    -10.27975591
  H     17.05667854      7.50651464    -11.59627316
  O      9.84505575      9.54442130    -13.09235118
  H     15.30927420     12.59428184    -12.17003577
  H     15.60769879      7.21056820    -12.06323907
  O      9.96011290      6.80240522    -12.16820191
  H     14.09201090     13.35319950    -11.60996650
  H     14.34679242      5.54917917     -9.64582574
  O     11.36740214     11.50412298    -11.97752743
  H      9.87721172      8.61949617    -12.82243738
  H     14.02309620      5.55203743     -8.13753034
  O     13.17763313     11.67317969    -14.12178755
  H     10.25395930      9.59996429    -13.96468060
  H     10.86884979     10.69079467    -16.19387748
  O     12.78256045     13.05222563    -10.17811132
  H      9.11995115      6.37741444    -12.01627318
  H     11.94400892     10.79463209    -15.09219622
  O     16.17875842     10.88824228    -11.77145460
  H     10.43238010      6.80235524    -11.31541815
  H     18.55461290      8.89943106    -10.03541228
  O     15.99448140      5.80993256    -14.58326907
  H     10.66993981     10.90752878    -12.28916909
  H     17.03640706      8.66832612     -9.83203506
  O     13.91961949      7.82320930    -12.27147459
  H     11.99346884     11.59042915    -12.71021924
  H     15.79450035      5.34506029    -11.25420208
  O     14.02288560      4.02303057    -13.49069323
  H     13.80745903     10.93681224    -14.14870629
  H     14.74256127      4.33734813    -11.73768599
  O     11.39816896      6.94819200     -9.88986492
  H     13.64523388     12.38971848    -13.66968736
  H     15.59280702      7.10937211    -15.64466384
  O     16.51314736      6.86031345    -12.05856851
  H     12.17437887     12.55918670    -10.75458044
  H     15.85489367      7.87311368    -16.96476985
  O     13.94373046      6.07458378     -8.93256492
  H     12.26156031     13.71881796     -9.73755559
  H     12.11282803      8.50693589    -15.77548374
  O     11.30769898     10.19091860    -15.50906819
  H     15.86430028     10.47143629    -12.58596283
  H     13.43964304      7.74735084    -16.03020914
  O     17.71999070      8.87789848    -10.49555693
  H     16.83668787     10.28884271    -11.39719540
  H     12.25647405      6.56639401    -14.44900981
  O     15.15127744      4.69399111    -10.94060242
  H     15.38091229      5.11371622    -14.32246367
  H     11.37746156      6.23971505    -13.18855120
  O     15.33315900      7.89041282    -16.16738139
  H     16.34902612      6.16489884    -13.75563981
  H     15.18573496      9.24207832     -8.82124606
  O     12.50771609      7.62731734    -15.80985629
  H     13.33581008      7.18259771    -12.69632184
  H     15.02504005      7.69018738     -8.84456698
  O     12.21562539      6.05102932    -13.62710677
  H     13.40094522      8.30901611    -11.61833917
  H     14.57469330      8.99441364    -13.41007839
  O     15.66904316      8.40638319     -8.79904043
  H     13.66578197      3.21496992    -13.84982454
  H     15.23629705      9.15278207    -14.79894992
  O     15.00717658      9.63482132    -13.99629750
  H     13.31662065      4.69022240    -13.54538765
  H     13.17673908      9.86297713    -10.05271004
  O     12.45944109      9.39813234    -10.50213189
  H     11.64961958      7.87942359     -9.98289355
  H     12.00054479     10.06136930    -11.03142943
          69
 Energy    -250.67114444248801     
  O     16.45194882      9.87034960    -16.03960684
  H     16.11528355      9.36132814    -16.77308111
  H     18.82123901     11.23780485    -15.39792917
  O     16.87146265     14.48000775    -16.19640326
  H     17.34970391     10.15255626    -16.28181912
  H     19.16368175     10.18687743    -10.03998404
  O     21.41542493      9.67953447    -15.38044339
  H     16.45996750     15.01760982    -16.86870489
  H     18.62924382     11.59877114     -9.75206896
  O     19.27856643     13.36788001    -10.10827833
  H     17.70950613     14.15684797    -16.57217045
  H     20.86390272     16.81224128    -12.75970219
  O     14.86158401     12.44082916    -12.30934166
  H     21.55371093     10.46650869    -14.82263123
  H     19.34892451     16.54881864    -12.89220284
  O     20.85783647      9.40932163    -10.59966358
  H     22.26373193      9.45328205    -15.75283142
  H     21.44707781     11.14861708    -10.82269162
  O     16.17276420     10.01972705    -11.42362638
  H     18.58777483     13.46975761    -10.78006921
  H     20.75210200     12.52906262    -10.72983898
  O     20.79062541     14.36362255    -14.77457097
  H     19.58867375     14.25471208     -9.89017080
  H     16.97320350      9.25889514    -12.75568486
  O     20.37574256     15.94482873     -9.83059705
  H     14.99304878     12.38786379    -13.27367685
  H     17.04282117      9.15100413    -14.31604236
  O     21.48167755     11.87713100    -13.78341587
  H     13.94696815     12.66760716    -12.16678803
  H     19.25077896     12.59043896    -16.95238904
  O     15.39751965     12.32951218    -14.96629381
  H     20.64725334      9.03446157    -11.47306411
  H     19.93895516     13.85378791    -16.39142345
  O     19.00798260     10.85587899    -16.27075321
  H     21.19346688      8.69204616    -10.06827759
  H     22.65207961     15.54732467    -12.57995685
  O     18.35849465     10.67669112     -9.83746005
  H     15.67522430     10.82001427    -11.62150233
  H     23.34688614     16.52341075    -13.56051192
  O     20.01502833     16.95955678    -12.32503622
  H     16.86950779     10.26276240    -10.79455302
  H     17.76338897     15.21908804    -14.68928324
  O     21.55124309     12.08197891    -11.04797918
  H     19.93804656     14.67939856    -14.44198792
  H     17.96571793     14.78389891    -13.22305092
  O     17.54092818      9.01009743    -13.50482587
  H     21.46032445     14.96812916    -14.43003194
  H     21.97364100     15.12273891    -10.51461067
  O     19.28308921     13.55242030    -17.03413744
  H     20.30189319     16.62978904     -9.17172491
  H     22.44898232     13.74706749    -11.01995153
  O     22.53118830     16.05667730    -13.40194871
  H     20.18085037     16.35844307    -10.69067319
  H     20.63659523      8.72804990    -13.87209613
  O     18.31308774     15.37033195    -13.91200121
  H     21.29690575     12.75365676    -14.15031991
  H     19.25757406      8.48891666    -13.21496133
  O     22.64355042     14.69200015    -11.06092307
  H     21.62271545     11.97214679    -12.83123355
  H     18.36046374     10.67864627    -13.42624751
  O     20.21173730      8.45358432    -13.05282697
  H     15.89234235     13.04093832    -15.39050227
  H     19.65224731     11.56756316    -13.50932897
  O     18.69168267     11.56950396    -13.60547167
  H     15.69921254     11.50237134    -15.35911261
  H     16.49827163     13.24545575    -12.05973380
  O     17.42877770     13.48664993    -12.13642116
  H     19.81810862     10.34372541    -16.15755369
  H     17.84902408     12.79015715    -12.66761591
          69
 Energy    -250.67112254200146     
  O     13.24101181      9.56459692    -15.74606147
  H     13.68374023     10.24509550    -16.27372659
  H     20.26997859      7.83453875    -15.02433759
  O     16.11616968      6.37364510    -12.88018701
  H     13.95574338      9.09610537    -15.28805562
  H     15.40629513     10.40190305    -17.70463917
  O     17.70910403     10.63474174    -11.70635448
  H     16.88181700      6.85422945    -12.53576455
  H     15.63147172     11.51419004    -16.64776071
  O     16.75834112     12.32186704    -15.35274073
  H     15.37855432      6.52059265    -12.27339254
  H     15.58396154      7.78685992    -13.93896684
  O     13.38340588      5.34881134    -15.90467595
  H     16.86470443     10.79421255    -12.15281247
  H     16.15395614      8.39693926    -15.22831493
  O     14.46618603      9.88643234     -9.10157062
  H     17.55613343     10.73759111    -10.75952087
  H     10.59067236      9.67431922    -13.93875410
  O     13.91824037      7.09480568    -11.36043272
  H     17.54878564     11.84559909    -15.04260499
  H     12.02158278      9.50120276    -14.50450729
  O     15.43047055     10.95876670    -13.24799005
  H     17.01784885     13.23287904    -15.46595719
  H     17.88078711      7.67357390    -10.24469283
  O     14.93401722      7.06949021     -8.76497498
  H     13.03267815      5.78577067    -15.10880941
  H     17.49948320      8.70997758     -9.16758006
  O     17.40889411      7.67499132    -16.39541548
  H     12.87393860      4.55087708    -16.02160059
  H     12.87791187      6.60431958    -12.84699562
  O     16.20947474      5.39709329    -15.50308808
  H     13.99220554      9.96287037     -9.93991823
  H     11.95853439      7.46129967    -13.72812138
  O     19.46125480      8.21189108    -14.68713057
  H     14.48387200      8.94571706     -8.88546704
  H     18.62649338     10.96015713    -13.31679677
  O     14.96424596     11.10349096    -17.21189862
  H     13.77399768      8.04419436    -11.48078366
  H     19.14373480     10.08649318    -14.47246971
  O     15.51227968      8.55052882    -14.52421873
  H     14.17316366      6.96890205    -10.43808152
  H     18.78504443      7.91789795    -12.92810615
  O     11.45702536      9.33665094    -13.72778302
  H     15.71956317     11.59934339    -13.90752723
  H     18.07066212      8.87042334    -11.95231725
  O     17.48967871      7.76519082     -9.36726655
  H     15.49223109     10.09336161    -13.68542573
  H     16.12243402     10.41866753     -9.00417721
  O     12.41029262      6.61070232    -13.69203989
  H     15.87331270      7.23277997     -8.96609354
  H     17.24939445     11.14947549     -8.23377390
  O     18.85529943     10.98065095    -14.25616688
  H     14.90965727      6.48245415     -8.01452977
  H     16.00582803      8.64539955    -19.48155868
  O     18.28672178      7.93810682    -12.10232479
  H     17.01016621      8.00349731    -17.20999682
  H     15.10152524      8.23435303    -18.29581184
  O     17.08182053     10.58752838     -8.98519076
  H     17.02325910      6.80619464    -16.19109846
  H     12.63505061      9.74283362    -12.31087845
  O     15.92776319      8.69470311    -18.53248333
  H     16.24377604      5.56022008    -14.54956424
  H     14.06153659     10.33834452    -12.21430295
  O     13.39463174      9.83796698    -11.72287723
  H     15.27142923      5.30512930    -15.70998101
  H     13.54660265      6.72725943    -17.17025955
  O     13.63005602      7.54357828    -17.67800976
  H     18.76689165      8.00754784    -15.33705220
  H     13.30522868      8.24232875    -17.09496397
          69
 Energy    -250.67096400830451     
  O     15.17052844      5.75093278    -14.24185939
  H     15.70441719      5.62178089    -15.03852902
  H     17.92219982      5.85331169    -12.66842957
  O     18.09059672     13.90126793    -12.30592488
  H     15.78714662      5.83159790    -13.50509105
  H     17.15680522      7.44252805    -15.57340980
  O     19.94944750      8.34143214    -14.22191221
  H     18.17727866     13.45593668    -13.15775881
  H     17.70923710      8.75495835    -16.15845080
  O     16.20518279      7.56611030    -18.67668994
  H     17.15984115     13.82076916    -12.05977139
  H     15.03286575     11.75072146    -15.90362072
  O     16.68110107     11.18467855    -10.12299209
  H     19.93234703      9.06757797    -13.58760023
  H     15.99521410     11.60759253    -17.08948766
  O     15.34677429      9.33556212    -13.79401407
  H     19.04871092      8.30869205    -14.58188281
  H     17.07202418      7.85002546    -11.68390742
  O     18.07678452     12.05324651    -14.53053742
  H     15.47935613      8.00480357    -18.19247470
  H     16.31030024      9.02284614    -12.32483952
  O     19.32620869      5.68934189    -13.67538884
  H     15.87056255      7.35645519    -19.54404138
  H     13.91158583      8.43322169    -16.46230493
  O     13.35511311      7.67089181    -14.77853905
  H     16.72052733     10.29863196    -10.50598494
  H     14.50787930      9.72347705    -17.09738763
  O     19.48943135      5.06666578    -16.49225107
  H     17.59334352     11.49711739    -10.07455469
  H     19.98017859     12.71691874     -9.96503235
  O     16.80729737      5.84564139    -16.49022525
  H     14.56109939      8.83279139    -14.03971726
  H     18.94815407     12.95141824    -11.09581211
  O     17.12581996      6.00700262    -12.12944402
  H     16.06181713      9.04089985    -14.38016756
  H     18.41173420      9.78691389    -12.21220997
  O     17.39763257      8.34828295    -15.33908534
  H     18.47304731     11.42068085    -13.91675723
  H     19.34358925     10.95952207    -11.80865502
  O     15.09680926     11.40759241    -16.80425009
  H     17.12019712     12.05030782    -14.37152390
  H     15.80671217     12.44440323    -10.96775159
  O     16.96266530      8.80697377    -11.64132237
  H     19.38909778      5.31734994    -14.56164617
  H     14.80470515     13.62341433    -10.93373138
  O     14.30536854      8.79064114    -17.26467737
  H     19.70146227      6.57919487    -13.74263457
  H     20.53587613      7.90183389    -15.96861868
  O     19.31245613     12.28273203    -10.48823320
  H     13.94677767      6.92172798    -14.57988739
  H     19.85170436      8.14178745    -17.32784139
  O     19.13043904     10.35406670    -12.52809683
  H     12.46925002      7.38791791    -14.57065574
  H     15.26066114     11.08652646    -13.90522643
  O     15.43470101     13.17614019    -11.49213546
  H     20.03640908      4.40536411    -16.90684778
  H     15.23803837     12.47768871    -13.20375959
  O     20.47626278      7.56147727    -16.87179182
  H     19.89563562      5.93097059    -16.68660809
  H     18.07061959     11.95436616    -16.30811292
  O     15.34055158     12.04192585    -14.05774683
  H     16.60825873      6.31466249    -17.31073196
  H     18.26010616     12.67318579    -17.66219838
  O     17.91754360     11.87592569    -17.26546530
  H     17.70247259      5.48817400    -16.56238547
  H     18.19916051     10.11998204    -17.78651067
  O     18.36888552      9.17003207    -17.82750142
  H     17.12387781      5.33434872    -11.45248849
  H     17.62768403      8.73083668    -18.26548521
          69
 Energy    -250.67029840005796     
  O     13.00190393     10.65762090    -16.30976277
  H     12.33636284     10.44379983    -15.64432121
  H     15.80710608      5.71845395    -14.36382283
  O     15.44635719      6.58874373    -12.81700009
  H     13.56354701     11.34789873    -15.94012317
  H     18.81574016      7.61673288    -14.16352861
  O     16.73186796     10.57578091    -11.15163179
  H     16.09196304      6.91106698    -12.17408500
  H     19.07674494      8.90036323    -13.33313800
  O     17.20093439     10.89135266    -15.21112126
  H     14.56428542      6.73586556    -12.45028031
  H     15.11733538     13.39170227    -15.59725968
  O     13.56360797      5.99671102    -16.44123340
  H     16.39769897     10.61677236    -10.24645630
  H     15.80326320     12.03557335    -15.31410512
  O     12.96287145      9.71093590     -9.21906293
  H     15.98392657     10.77943275    -11.73187893
  H     15.53118033      8.05366478    -13.91041618
  O     12.92417452      7.17518156    -11.84349093
  H     17.86697884     11.00820235    -14.52320070
  H     15.12864198      8.69048749    -15.27971974
  O     14.63297192     10.98543667    -12.90617311
  H     16.67885223     10.11902919    -14.93829445
  H     10.10894625      9.76342354    -14.69759415
  O     17.32842559      8.99521312    -17.33188236
  H     13.30159457      5.26965165    -16.99952702
  H     11.28867786      8.77802349    -14.51922100
  O     13.26972627      6.85613593     -9.08070300
  H     14.42899372      5.76037185    -16.05982955
  H     16.46337184      7.47589776     -9.54916797
  O     18.37067122      6.93562917    -15.88498081
  H     12.60274704      9.87564101    -10.10048241
  H     15.85050146      8.51589415     -8.59693333
  O     15.95514275      5.50512292    -15.29690956
  H     12.92273936      8.75529562     -9.08941645
  H     12.42439956      6.70704737    -15.11293888
  O     19.04196304      7.93882155    -13.28218745
  H     12.96291768      6.93565449    -10.90909085
  H     12.19809233      6.94950491    -13.59372721
  O     14.96792907     12.52562441    -15.22693198
  H     12.72238032      8.12106851    -11.87258514
  H     19.59125398     11.28238990    -12.54375553
  O     15.47937738      8.88241563    -14.40022489
  H     14.65364954     11.70412976    -13.54817798
  H     18.15496910     10.79902550    -12.24814544
  O     11.02903651      9.71575699    -14.45087364
  H     14.84819647     10.18108008    -13.40821717
  H     17.08113965      8.73054448    -11.15769303
  O     15.87109057      7.57110612     -8.79078908
  H     17.42733897      9.78908470    -16.79265646
  H     18.00985182      7.70357549    -11.84120314
  O     11.85297400      7.14802335    -14.47340920
  H     16.37492204      8.83575170    -17.39396939
  H     15.52033202     10.97117981     -7.84966064
  O     18.84002915     10.84362018    -12.93570788
  H     13.02055719      6.20572184     -8.43000195
  H     14.57562779     10.24852879     -8.83868943
  O     17.31427732      7.79290902    -11.17226634
  H     14.22184793      7.02454825     -8.96075152
  H     11.72530018      9.92673247    -12.72292040
  O     15.51096944     10.43392138     -8.63728280
  H     19.06882333      6.51779935    -16.38387108
  H     13.10753986     10.37539900    -12.21137717
  O     12.29515080      9.92038434    -11.94412350
  H     18.02825857      7.65796017    -16.43917799
  H     14.12974622      7.70470392    -16.96889083
  O     14.58849454      8.55101109    -17.02808426
  H     16.78877823      5.92755912    -15.53389550
  H     13.94644604      9.26620197    -16.89849055
          69
 Energy    -250.67028384327742     
  O     14.02465873      3.29155672    -10.66498159
  H     13.96916921      2.35283903    -10.44679680
  H     16.89945002      4.72289928    -15.38994232
  O     12.06898139      3.79196961    -12.60702931
  H     13.35449385      3.45157840    -11.34511391
  H     15.24959020      9.47233144    -11.44862108
  O     16.53873749      3.31565908    -11.88273070
  H     11.58051213      4.51143644    -12.18893824
  H     14.41786040      8.69294260    -10.40321542
  O     19.21502691      6.33130774    -13.66657961
  H     12.65039191      4.20815602    -13.26173700
  H     13.60667734      4.88456077     -9.81049264
  O     12.18657740      8.13325991    -12.82106545
  H     17.03935276      4.10662290    -11.64691148
  H     12.47961464      5.89430484    -10.11346400
  O     12.67724175      1.07159426    -13.07088378
  H     15.68394975      3.37902304    -11.43247413
  H     14.04357945      0.82134668    -14.14115522
  O     13.95059863      0.48181281    -10.55655136
  H     20.11939145      6.06034067    -13.53059980
  H     14.70469602      0.01622914    -15.28512233
  O     17.99643663      8.93536373    -13.81341072
  H     18.73192945      6.11475051    -12.85118513
  H     11.43992645      6.85306360    -11.91370579
  O     17.02393331     10.02567498    -11.53909434
  H     12.48496560      8.00803507    -13.72852560
  H     10.19457658      6.39087604    -11.12267953
  O     13.88560315      5.03646457    -14.23445592
  H     12.90283547      8.57517322    -12.34521411
  H     16.80084418      6.12158480    -11.97256305
  O     15.89239206      7.89879379    -15.30248313
  H     12.95545985      0.79082684    -12.19016628
  H     17.67924137      6.44854954    -10.75267247
  O     17.27347245      5.57449983    -15.64884852
  H     12.31009516      1.95898841    -12.96504237
  H     16.23019733      3.30869048    -13.67544597
  O     14.41728220      8.99737562    -11.32101596
  H     14.79387006      0.40468415    -11.03876561
  H     15.64896370      2.37926394    -14.76895202
  O     13.25690618      5.74944622     -9.56122745
  H     13.93159949     -0.22398370     -9.91661346
  H     16.51347042      1.43617249    -11.97085697
  O     14.87346392      0.69230556    -14.63454201
  H     18.53478486      8.13582190    -13.78698711
  H     15.88650110      0.46554675    -12.99005421
  O     11.07377187      6.12556360    -11.37964110
  H     17.28925244      8.75258525    -14.44797202
  H     12.50453694      7.24605208    -16.22534636
  O     17.60413296      5.84415887    -11.50379508
  H     17.37297396     10.90901223    -11.45506454
  H     13.29108464      6.45980515    -15.15090652
  O     15.97522091      3.27325590    -14.60982458
  H     17.40148258      9.65512148    -12.35673573
  H     14.18337146      7.07139534     -9.00022633
  O     16.20136492      0.52683221    -12.07976136
  H     14.54266801      4.38392472    -14.50957071
  H     14.39011945      8.12170567     -7.88364167
  O     13.08936570      7.35288913    -15.47901915
  H     14.33900656      5.62078281    -13.60580396
  H     17.37254633      8.63459376    -10.23679634
  O     14.67351093      7.87928282     -8.76091951
  H     14.95916069      7.84177829    -15.53254800
  H     16.52715365      7.81721233     -9.24871060
  O     17.40074461      7.86292164     -9.65722808
  H     16.32474297      7.07284781    -15.57980017
  H     15.64467299      7.22884494    -13.59864415
  O     15.36874124      6.80441298    -12.77358498
  H     18.01753871      5.73951847    -15.05614943
  H     14.98483064      7.49112169    -12.21502276
          69
 Energy    -250.66978465681632     
  O     13.19236368     11.70261102    -16.19094083
  H     12.48183088     11.56583352    -15.54329960
  H     17.93473512      8.59231754    -12.07925720
  O     15.00318390      7.71426317    -13.31574281
  H     13.74268963     12.43401890    -15.88917237
  H     16.79852677      9.68707939    -17.19369091
  O     16.40010402     11.30276154    -10.89179278
  H     14.97293942      8.47385223    -13.91917082
  H     17.83266586      9.25349598    -16.10128971
  O     17.57939491     12.32693290    -14.91297892
  H     15.55564890      7.96720073    -12.56416399
  H     14.30181536     10.36096233    -15.42100767
  O     12.45042422      8.01476824    -16.73615124
  H     15.76298591     11.55013268    -11.57973063
  H     15.80112054      9.94253173    -15.40247936
  O     12.52407191      8.07062259    -12.21400376
  H     17.26369983     11.51109421    -11.26797897
  H     11.52323257     11.16685490    -13.38340408
  O     14.61118890     11.80701671    -12.91777964
  H     17.55382251     11.58038917    -15.52844150
  H     11.08147221     10.13033764    -14.42701997
  O     16.33652197      6.27638417    -15.29813637
  H     16.76030970     12.81559671    -15.04257822
  H     10.07917387      7.82746899    -14.72922065
  O     13.85155597      7.94899780     -9.76474114
  H     12.54114556      8.73759404    -17.36800834
  H     11.48297861      8.11516790    -15.30818350
  O     18.70646028      7.85437218    -15.23905166
  H     13.19431416      7.42501606    -16.91078315
  H     18.29389863     11.94930895    -13.36798383
  O     14.72978494      6.48917766    -17.44713222
  H     11.87351155      8.03489084    -12.92580776
  H     19.48498868     12.20310053    -12.41617609
  O     18.59374541      8.85125236    -12.73441446
  H     13.37786374      7.87107346    -12.62977124
  H     16.37475117      9.48557702    -10.92976906
  O     17.29143430      9.98892659    -16.41486527
  H     13.77493593     11.55148369    -12.50620611
  H     15.62357593      8.21486257    -10.46794889
  O     14.98113710      9.92901536    -14.89039126
  H     14.83501710     11.11266826    -13.55621299
  H     13.94110603      9.86098513     -9.37412384
  O     11.31495056     11.06101767    -14.32007633
  H     15.85464389      6.63406657    -14.53967706
  H     14.82813938     11.07681421     -9.70567076
  O     10.91849682      8.23034886    -14.52214751
  H     17.18687066      6.73167731    -15.30966784
  H     14.80481139      9.49550989    -18.51526306
  O     18.68608593     11.69174693    -12.51443375
  H     13.28932467      7.92337440    -10.55601115
  H     15.38919527      8.13097626    -18.12547850
  O     16.35727909      8.52025525    -11.01400399
  H     13.52445460      7.27224087     -9.17681121
  H     12.74847576     10.97143851    -10.81942821
  O     13.93827530     10.82479617     -9.43020061
  H     19.58949509      7.53430342    -15.40337583
  H     12.36292107      9.90059906    -11.86592865
  O     15.63793896      9.03144758    -18.37098846
  H     18.69265963      8.18158150    -14.32125211
  H     14.80240431     13.07973865    -14.12959821
  O     12.33321473     10.85059163    -11.68579286
  H     15.31573668      6.36903576    -16.67873463
  H     14.80488892     14.50432742    -14.73334225
  O     14.94068253     13.58513495    -14.95030906
  H     14.73248949      5.66398872    -17.92460758
  H     12.54683943     10.66726021    -19.14601338
  O     13.03241735     10.22801931    -18.45293239
  H     18.69307956      9.80810181    -12.65267493
  H     13.06935680     10.84508574    -17.70108902
          69
 Energy    -250.66968032304072     
  O     17.49595162     10.85787623    -17.43107605
  H     17.65038254     10.15642398    -16.77532887
  H     17.01086734      5.85239614    -15.75614766
  O     15.36179109      5.95097219    -13.03061349
  H     16.75577250     11.37417838    -17.08877904
  H     17.64492669      7.63956416    -11.52978532
  O     16.51165688     13.59356942    -12.43807123
  H     15.59269815      5.85583132    -13.97221157
  H     17.05960467      6.40443386    -12.22854762
  O     21.36088109      9.07523069    -13.54411600
  H     14.96060845      5.12841546    -12.76284015
  H     20.73003006      9.04202093    -16.82261789
  O     15.00222261      7.59664248    -17.59792301
  H     17.17309080     13.37934529    -13.10881080
  H     20.73545840     10.53236793    -16.39845367
  O     13.79998735     11.18052867    -11.94860782
  H     15.66377170     13.62047666    -12.89814517
  H     18.16862938      9.34556854    -14.65546848
  O     14.67559488      8.65922243    -12.86005360
  H     22.25783364      9.23377343    -13.26314314
  H     18.06322247      8.06348051    -15.54745214
  O     18.17526361     12.56955215    -14.47849735
  H     21.32526901      9.26622010    -14.49925580
  H     16.73166169     10.22235685    -10.93382729
  O     20.05636987      6.51976157    -13.55656796
  H     14.15346640      7.51412897    -18.02662477
  H     16.17961805      9.16847889    -11.92542514
  O     15.06520012      9.40665664    -15.50735424
  H     14.89790141      8.26581343    -16.90135787
  H     16.31635641     12.52182245    -11.06528043
  O     18.72883133      6.39512763    -15.89991845
  H     13.95239062     10.26230158    -12.20753544
  H     16.18255423     12.32814261     -9.53567803
  O     16.05340751      5.76620293    -15.63714351
  H     14.47330397     11.38508612    -11.28790962
  H     19.73100333      9.84380184    -13.16170540
  O     17.87608795      6.76377665    -11.86166117
  H     14.71170781      8.91724800    -13.79178326
  H     18.28363899      9.91452069    -12.52734006
  O     21.09225511      9.66378556    -16.17969357
  H     14.79759479      7.70113804    -12.84047413
  H     13.83855798     12.45633410    -13.13620105
  O     17.72977310      8.96001898    -15.42377504
  H     18.42920667     11.77708480    -13.97889056
  H     13.19076981     13.73315022    -13.72283194
  O     16.96473998      9.42072786    -11.41796939
  H     18.80639960     12.63527014    -15.20248272
  H     19.09448809      7.97718736    -18.38559542
  O     16.09744300     11.87554461    -10.37032453
  H     19.34601034      6.56664533    -12.89814447
  H     20.47418202      7.39730026    -18.77078939
  O     18.85463962     10.24120711    -13.23630925
  H     20.57329017      7.32729203    -13.46577679
  H     15.00731039     12.56485776    -15.15699743
  O     13.97672457     13.19481839    -13.75671216
  H     15.09576714     10.36803135    -15.59015635
  H     16.52025212     12.27731345    -15.26508294
  O     19.98001657      7.76469040    -18.04209095
  H     15.99293331      9.13135545    -15.40900565
  H     19.01125078     11.74967200    -17.16319281
  O     15.67131037     12.13374831    -15.70962626
  H     19.27251093      6.34681939    -15.09615090
  H     20.11676053     12.78098211    -17.48942158
  O     19.81429726     12.17546416    -16.81678507
  H     19.28048826      6.69998210    -16.62804487
  H     17.41975582      9.37926977    -18.59344305
  O     17.46300525      8.45117272    -18.86079769
  H     15.65129279      6.26474160    -16.35594777
  H     16.65676060      8.04984525    -18.51549836
          69
 Energy    -250.66932606411018     
  O     12.53800722     11.14039527    -15.75045878
  H     13.19642802     11.74409563    -15.38609623
  H     18.50038991      8.03500142    -14.51466060
  O     14.89792600      6.19640240    -13.59025310
  H     11.94162244     10.89647328    -15.03225952
  H     16.64536246     10.86570190    -16.84341493
  O     16.95683374      9.61438811    -11.50250287
  H     15.68479997      6.31713473    -13.04090326
  H     17.29474760     11.03209103    -15.46178145
  O     17.77688566      9.75704825    -14.20922704
  H     14.12264628      6.38513510    -13.04458144
  H     14.68770661      8.84613888    -15.46241052
  O     12.39808158      6.67181182    -16.82244538
  H     16.79820248      9.51656911    -10.55543932
  H     15.09129241      7.84171883    -14.33860246
  O     13.48835616      8.86487122     -9.09285728
  H     16.18084266     10.06926985    -11.86053744
  H     10.84420001      9.19752668    -14.03539740
  O     12.69790754      6.92797242    -12.08612004
  H     16.92193746      9.35922367    -14.44422583
  H      9.81064893     10.32069432    -13.77915947
  O     14.74642191     10.71227748    -12.80488514
  H     17.75432532      9.85505434    -13.24943682
  H     16.54902204      6.34912211    -10.50372886
  O     13.40741568      6.02148579     -9.54053706
  H     13.24351212      6.21639374    -16.65432162
  H     16.24663128      7.22680722     -9.27636044
  O     17.18548731      6.90159580    -17.19351308
  H     11.90438434      6.12414345    -17.42680489
  H     11.58124393      7.19344134    -15.18988317
  O     14.79763796      5.59147596    -16.27541274
  H     13.05490403      9.24425499     -9.86876495
  H     11.64194664      7.14462221    -13.63780705
  O     18.50873772      7.07191587    -14.60473395
  H     13.33200013      7.91353548     -9.13826266
  H     17.73995734      6.79642336    -12.97141169
  O     16.77583729     11.50076065    -16.13135134
  H     12.66288850      7.88032168    -11.91717891
  H     17.11702381      7.80273343    -11.96515616
  O     15.20051442      8.74829660    -14.65257733
  H     12.83965930      6.50535496    -11.22962769
  H     16.40645405      9.48920670     -7.99986819
  O     10.74456862     10.12839347    -13.76185698
  H     14.82896541      9.99064613    -13.44948376
  H     15.21035465      9.09846721     -8.90068193
  O     16.09421091      6.35039427     -9.65087669
  H     14.74877691     11.52472937    -13.32379295
  H     15.30438374      9.31704060    -17.79503185
  O     11.17551716      7.53869710    -14.38663423
  H     13.18132389      5.28941962     -8.97370576
  H     16.19705731      9.71178809    -18.99513687
  O     17.18064919      6.86257164    -12.18388152
  H     14.38051016      6.05399533     -9.58428698
  H     11.80275425      9.91758328    -12.22028555
  O     16.18293244      9.10932924     -8.84522517
  H     17.74899217      6.54611864    -17.87843607
  H     13.30803640     10.11143751    -11.94857991
  O     16.22830683      9.40696580    -18.09127212
  H     16.91933238      7.78508987    -17.48889769
  H     15.46509024     12.31891916    -15.30153471
  O     12.50728727      9.69046547    -11.60172139
  H     15.61432330      5.97279036    -16.61663598
  H     14.85055134     13.65161677    -14.81520034
  O     14.73826102     12.70547805    -14.78098078
  H     14.86047547      5.63887864    -15.30959849
  H     13.20054072      8.31878302    -17.05521655
  O     13.75459799      9.10837202    -17.05173244
  H     18.07896077      6.90021035    -15.44959338
  H     13.25023743      9.84334916    -16.66773981
          69
 Energy    -250.66541445374042     
  O     17.83790404     15.04556551    -14.36463589
  H     17.55117134     14.16687056    -14.06890359
  H     21.42906550     10.00276138    -16.12253693
  O     16.96863322     11.03194679    -15.68416338
  H     18.70578205     15.20070812    -13.96561356
  H     17.87447818      9.10911545    -11.39360567
  O     19.36441784     11.81544550    -11.96055434
  H     17.01793265     10.11941606    -15.37633323
  H     18.92102740     10.09290218    -11.95854265
  O     15.45595178     13.20272131    -16.58270058
  H     17.00462537     11.58050320    -14.88422937
  H     14.52180578     11.03448398    -12.86755430
  O     17.87734423     14.69044895    -17.06152306
  H     19.40139783     12.56579696    -11.35582494
  H     14.11807659     12.50828725    -13.28350207
  O     19.30412428     14.22649339    -10.51513334
  H     19.91029253     12.03628346    -12.73054810
  H     19.87940459      8.41073933    -16.32631866
  O     22.41266830     10.21987564    -14.47415309
  H     16.18317604     13.75908885    -16.88414953
  H     19.57825415      6.91444839    -16.57568840
  O     16.58666158     14.78270313    -10.38407330
  H     15.85047877     12.33607193    -16.41270548
  H     21.47073084     11.79258693    -14.27662080
  O     20.28453320     15.06882458    -13.11918941
  H     17.87094001     14.91482034    -16.11388002
  H     20.28126679     12.46735482    -15.01139750
  O     20.81870960      8.25599665    -13.49645989
  H     18.05688937     15.49838389    -17.53493067
  H     17.80543017     12.23749912    -12.82154203
  O     15.78741450     11.99382058    -10.17875798
  H     19.68937771     14.47372948     -9.67766399
  H     16.25462393     12.38115449    -13.01371038
  O     20.74871846      9.86236782    -16.79251097
  H     18.36278968     14.45844636    -10.46952004
  H     16.19016621     10.28213500    -10.23489806
  O     18.59950895      9.18147296    -12.02632570
  H     23.33021811     10.00087592    -14.33733918
  H     16.02091488      8.88415474     -9.59859236
  O     14.50681627     11.96390529    -12.59000000
  H     21.88850393      9.51392382    -14.05422724
  H     12.97767329     14.14910116    -14.87496652
  O     19.45874301      7.61941949    -15.94513193
  H     16.14316652     15.33743479     -9.74653213
  H     14.38787607     13.66726076    -15.28042999
  O     20.81784570     12.50093757    -14.20706573
  H     16.19941755     15.00465652    -11.24926433
  H     15.61474511      8.94287480    -13.56815243
  O     17.11493211     12.55298240    -13.41689161
  H     20.62679726     14.24871064    -13.50165697
  H     15.34162408      9.17138408    -12.07231270
  O     16.32731058      9.32991903    -10.38406398
  H     20.05397381     14.86343115    -12.20560005
  H     18.93914664     13.10238516    -16.86848331
  O     13.82338678     13.88937839    -14.51899324
  H     20.11088861      8.47417245    -12.87596233
  H     18.48616148     11.74500936    -16.29896764
  O     14.95830778      9.28818570    -12.95061533
  H     20.38484400      7.88691447    -14.27580099
  H     17.74673207      8.79613129    -13.61756984
  O     19.27184915     12.25962621    -16.54077742
  H     15.18399633     12.00479062    -10.93892548
  H     17.93318707      8.13676473    -15.00369809
  O     17.28414787      8.57435970    -14.43914802
  H     16.12904052     12.89071864    -10.12324094
  H     16.32758614     15.53981131    -13.38534028
  O     15.55418677     15.46708763    -12.80877147
  H     20.28267046     10.70444869    -16.87414903
  H     14.89159610     14.99387988    -13.32512041
          69
 Energy    -250.66509939572228     
  O     13.28697809     11.05701661    -11.98651066
  H     13.53350149     10.80607880    -11.08955633
  H     19.42470764      4.07224085    -12.74202098
  O     16.19517992      6.88862566    -15.15621095
  H     14.12599128     11.16605003    -12.45657697
  H     17.52721582      9.37220978     -9.71551939
  O     14.84407068      5.06680564    -11.24760447
  H     15.25891807      6.92045268    -15.40088648
  H     17.52529959     10.65738276    -10.58555183
  O     18.43076714      7.73401359     -9.44771358
  H     16.68621690      7.54424788    -15.66694983
  H     16.19458604      7.82861286    -13.64046242
  O     15.52797926     10.59409135    -15.93106450
  H     13.99364772      4.69791425    -11.51226722
  H     17.22900219      8.10977683    -12.53123272
  O     12.32699495      7.25981258    -12.87097332
  H     14.67788237      6.00443229    -11.06389480
  H     10.67501360     10.33411976    -13.58968311
  O     13.45697948      6.67464061    -15.40552816
  H     17.98760282      6.87582078     -9.57215013
  H     12.09926835     10.30174010    -12.98490894
  O     14.33931292      7.75061442    -11.02691852
  H     18.99357264      7.64073941     -8.68297086
  H     14.69880937      3.96581323    -14.50015567
  O     19.19475783      9.76321378    -13.93471046
  H     15.58888835     10.90103940    -15.01744988
  H     13.23770426      4.00180169    -14.02317668
  O     18.99058534      7.57832355    -12.19862505
  H     14.63554023     10.23397130    -16.03579464
  H     13.11035510      8.45285879    -15.98373562
  O     17.64514942      9.00403972    -16.27429509
  H     12.99616232      7.47911805    -12.20632411
  H     12.46077867      9.62070200    -15.22233300
  O     18.83279886      4.76377543    -12.45839487
  H     11.89278848      8.09020796    -13.10522683
  H     16.48481341      5.11262580    -10.31009944
  O     17.05234286     10.19528759     -9.88325274
  H     13.50838028      5.70826863    -15.40528383
  H     17.95158571      4.98891102    -10.75595602
  O     16.31973439      8.28776329    -12.79915011
  H     13.08508774      6.91479209    -14.54580027
  H     15.83144778      4.82199677    -12.80711552
  O     11.47592737      9.81814103    -13.55737311
  H     14.25881689      8.48282533    -10.40615190
  H     16.34120154      5.39711585    -14.17395569
  O     13.78780590      3.98072229    -14.81646875
  H     15.06352595      7.97609930    -11.63297894
  H     12.18572711      5.48345523    -12.57734708
  O     13.02085254      9.41434010    -15.97945458
  H     18.70647143      9.51975543    -14.72969100
  H     11.45331619      4.19973005    -12.12590887
  O     17.39141665      5.29298542    -10.03103684
  H     19.27749332      8.95701660    -13.40648846
  H     18.90839605     12.30895577    -12.05219789
  O     16.36200261      4.62178616    -13.59183807
  H     18.95488833      7.69419528    -11.24027058
  H     18.68215200     10.95384227    -12.76114074
  O     12.30221760      4.53376987    -12.40474939
  H     19.02412706      6.62723850    -12.36220069
  H     15.33485099     10.19238840     -9.63086181
  O     18.33108151     11.55062379    -12.07592574
  H     18.02419878      9.12291428    -17.14097801
  H     14.18291371     10.36662381     -8.61362349
  O     14.37224078     10.09975114     -9.50879998
  H     16.88956707      9.61895016    -16.21076906
  H     15.94045601     10.05906579    -13.06121605
  O     15.79679789     11.01118688    -13.17082232
  H     17.99389362      4.62827082    -12.93240677
  H     16.59225496     11.42711078    -12.82051409
          69
 Energy    -250.66504789399704     
  O     17.55274371     17.58001073    -14.67965269
  H     17.55882559     18.19225475    -15.42511030
  H     15.41697617     10.88056893    -14.08163689
  O     15.32173273     13.99618825    -14.27754011
  H     17.95062052     16.75897355    -15.00698676
  H     20.79618871     16.11139453    -13.26109666
  O     17.67084724     12.30372803    -17.76300124
  H     15.15669441     14.89072247    -13.95608400
  H     22.28188153     15.72921831    -13.06402041
  O     16.79996696     10.25560887    -12.89258090
  H     16.03035188     13.64562838    -13.71675610
  H     17.15253280     12.04652496    -12.56355682
  O     16.14796584     10.10473618    -16.95702602
  H     17.12844105     13.05909292    -17.49393213
  H     18.20759446     13.10681716    -12.98142842
  O     21.82018107     13.23054427    -17.66676935
  H     17.13645599     11.51271109    -17.62343944
  H     18.98872255     10.35422193    -15.39754198
  O     21.42360154     15.62931430    -16.46732191
  H     16.79184000      9.50461924    -12.30561483
  H     17.63653416      9.73001701    -15.79650206
  O     15.36213890     16.64836642    -13.29268847
  H     17.40024940     10.03406123    -13.62699704
  H     17.33124593     16.57643322    -19.01927571
  O     19.72405131     13.41098793    -13.84982312
  H     15.63595793     10.52446487    -16.24175830
  H     16.34869311     16.05207733    -17.94677560
  O     19.54475034     13.63945263    -19.35461038
  H     15.56276894      9.49135285    -17.39263909
  H     18.78468194     16.42705025    -12.08867597
  O     20.13997739     17.62862898    -17.77193894
  H     22.73344848     13.12719212    -17.92008701
  H     18.87021198     17.37654586    -13.28771791
  O     14.91884798     11.24234393    -14.82568543
  H     21.73878517     14.10678193    -17.24940826
  H     17.20668200     18.23245277    -17.58041496
  O     21.53486307     15.60018175    -13.64198121
  H     21.11466936     16.45058079    -16.88156499
  H     17.34954007     19.77069028    -17.47039191
  O     17.32124473     12.99511550    -12.60625685
  H     21.53641963     15.76302378    -15.51760027
  H     16.57157104     15.95003829    -11.90077829
  O     18.30384991      9.74355308    -15.09830702
  H     16.09466945     17.04240028    -13.79599406
  H     17.30132723     14.62098583    -11.66718902
  O     16.61001226     16.84364825    -18.43451788
  H     14.73875705     17.34942012    -13.12052596
  H     20.65405946     12.18697635    -16.63967954
  O     19.41461507     16.91422545    -12.64015648
  H     19.89781220     12.82748657    -14.60331072
  H     19.11410878     12.04790983    -16.66324885
  O     17.65557706     18.94972991    -17.09533020
  H     20.46962719     14.01176601    -13.73343072
  H     18.91163279     14.63724330    -14.97931648
  O     17.31474779     15.55735897    -11.42842906
  H     20.36614011     13.45277255    -18.88587979
  H     19.53246015     15.42969187    -16.14557776
  O     19.90188620     11.86257691    -16.13004182
  H     18.86072084     13.10901702    -18.92407012
  H     19.04749431     16.33319023    -20.86530508
  O     18.70338886     15.26323908    -15.68440578
  H     19.80555341     17.18050866    -18.56077767
  H     19.15856396     15.27009612    -19.74976299
  O     18.94557528     16.20373363    -19.92605288
  H     19.41178891     18.17860503    -17.46288982
  H     15.83737774     14.32813065    -16.02865021
  O     16.34299302     14.53747769    -16.82428067
  H     14.87624981     12.19576870    -14.67918829
  H     17.20975711     14.83148534    -16.49941523
          69
 Energy    -250.66452748965747     
  O     12.66473495     12.55383696    -12.29311593
  H     13.22043045     12.42324335    -11.51516700
  H     17.99216676     12.93229526    -15.78113654
  O     19.49800232      6.88425184    -11.67370256
  H     12.40281259     11.66303256    -12.56378227
  H     13.83293769      9.34928094    -15.89477403
  O     17.52686525     10.88016480    -11.85106158
  H     19.93187903      7.45685047    -12.33194880
  H     12.68024463      9.89439633    -15.04486618
  O     15.56151785      7.11715192    -13.03896631
  H     20.19225657      6.47276004    -11.16628133
  H     15.40883976     10.13379447    -14.19543539
  O     13.10321439      7.51041427    -11.66185033
  H     17.44528166     11.68283047    -11.32590320
  H     15.13230575     11.63001173    -13.79927348
  O     17.94774659      5.84654536    -13.85887263
  H     16.73350132     10.83337862    -12.41255018
  H     13.57825079     12.56307018    -17.56788636
  O     14.47099087     13.30531646    -14.23042642
  H     16.11380662      7.55144458    -12.37218369
  H     13.63265703     11.40717603    -16.54172883
  O     17.98955455      9.43966531    -16.08080607
  H     14.67127021      7.09215675    -12.66950634
  H     15.52686518      8.81883430    -10.24946340
  O     17.15157451      8.29711317    -11.04904882
  H     13.58841634      8.06193760    -11.01992098
  H     14.59131268     10.05024248    -10.10584832
  O     16.92120140     11.99609918    -16.76752828
  H     12.54128694      6.92824166    -11.15804417
  H     20.24845050      9.30549427    -13.76616958
  O     19.34861952      7.00184593    -15.87934321
  H     18.46783757      6.04224943    -13.06936446
  H     20.30263197      7.93889404    -14.48010436
  O     18.63246393     13.35800834    -15.18162661
  H     17.04573137      6.12261988    -13.65216897
  H     15.98008517     14.00665121    -13.54525877
  O     13.03732685      9.89982567    -15.94191410
  H     14.20667363     13.07309052    -15.12850924
  H     17.50401890     13.96891464    -13.78897263
  O     15.36256451     10.75602075    -13.45738707
  H     13.72541380     13.15932866    -13.62784626
  H     17.37644097     13.90512916    -10.06860722
  O     14.05034599     12.24768909    -16.80189490
  H     18.41268837      9.92001294    -15.35468425
  H     16.84440089     13.69098826    -11.50737408
  O     14.61615407      9.08757539    -10.06813527
  H     18.47205910      8.60839815    -16.17196238
  H     15.26620322     12.47469239    -10.23175778
  O     20.55322236      8.39376027    -13.66660250
  H     17.37561195      9.20959765    -11.28665449
  H     14.12303536     12.30604094     -9.21237282
  O     16.83589090     14.19051247    -13.13044809
  H     17.96388778      7.78260621    -11.12806330
  H     19.19314873     11.75329496    -14.38973613
  O     16.85334872     13.31680893    -10.60572174
  H     15.95983464     12.02613978    -16.82874780
  H     18.70588452     10.87223134    -13.21510686
  O     14.44094313     11.99658673    -10.05908173
  H     17.18494056     11.06820488    -16.72788354
  H     12.65125297      9.03961644    -12.67305342
  O     19.25321872     10.86676286    -14.01347094
  H     19.67571503      6.34051590    -16.48283739
  H     13.60382887     10.16617090    -13.11829941
  O     12.67587501      9.88690402    -13.13173912
  H     18.80848347      6.53540376    -15.21601797
  H     16.34638330      8.85885035    -15.64901112
  O     15.44855065      8.68898053    -15.33429839
  H     19.16093576     13.94362393    -15.71746475
  H     15.49973625      8.06442295    -14.59748234
          69
 Energy    -250.66449006126606     
  O      0.73883942      0.14662212      2.96063314
  H      0.98457122      1.07786725      2.98589862
  H     -3.23306606      0.18912061      3.41703369
  O     -2.43812860     -0.01504724     -3.19329833
  H      1.24227609     -0.25356634      2.23665448
  H     -2.76942660      0.82259630      5.33167547
  O     -0.49703463     -1.18129987      5.07604723
  H     -1.69724029      0.41727452     -2.74930655
  H     -2.35976296      1.37577884      6.71616410
  O     -4.34155803     -0.06020339     -1.18854380
  H     -2.25673231     -0.96176312     -3.14325336
  H     -3.31847498      1.19232019     -0.32326772
  O     -2.04682426     -2.80822090     -2.53313878
  H     -0.96851145     -0.44082085      5.47455906
  H     -1.83031493      1.57997580     -0.45546737
  O     -0.08383972     -1.81507703     -0.72581433
  H      0.06536179     -0.78814808      4.39383015
  H     -1.04538263      0.20654659      2.46824508
  O     -3.36523415      3.32633910      2.25242976
  H     -3.82562209      0.05578885     -1.99939938
  H     -2.16032861      0.69993238      1.47628408
  O     -4.40030599     -2.49262387      3.75827370
  H     -4.13421601     -0.94939733     -0.87156419
  H     -2.99761071     -2.69945971      0.31291977
  O      1.22982756      2.93157797      2.62356198
  H     -2.16795388     -3.58357597     -3.07571996
  H     -4.53117557     -2.82209990      0.19233322
  O     -0.40986553      0.91166241     -1.37445277
  H     -2.71204904     -2.85623338     -1.82646692
  H      2.10890701      0.24627957      0.33752871
  O     -5.79102368      1.89019428      2.87259599
  H     -0.57675958     -2.21614144     -1.45095193
  H      1.47908197     -1.14678440      0.11752079
  O     -3.90905310      0.24513412      4.11224372
  H     -0.52244544     -2.11340951      0.08465024
  H     -1.93449161      3.18733151      3.32530865
  O     -2.01277480      1.12406792      5.86390167
  H     -3.11819931      2.92398877      1.40814477
  H     -1.38258902      2.43738805      4.56742672
  O     -2.62308290      1.73264198      0.07589069
  H     -4.22421499      2.95006543      2.47397728
  H      2.35208589      2.78072872     -0.39140967
  O     -1.95807090      0.07078091      2.18078633
  H     -3.53733780     -2.88906645      3.92428812
  H      1.52287323      2.47038176      0.87250274
  O     -3.72634014     -2.69884718     -0.32609838
  H     -4.31008887     -1.55749919      3.98690277
  H     -1.38595894     -4.16748179      4.60846350
  O      2.07513032     -0.64984670      0.69329911
  H      1.83614424      3.44011956      3.15600338
  H     -1.27315218     -2.62951357      4.50714893
  O     -1.13413623      3.02611831      3.84785712
  H      0.35035433      3.03659098      3.03336720
  H     -1.81027406     -1.59535217      1.70089350
  O      1.73746405      2.15255861     -0.01861999
  H     -0.28949391     -0.01373901     -1.11697590
  H     -1.58691797     -3.00014194      2.29578892
  O     -1.70940834     -3.41248479      4.12473088
  H      0.33479602      1.40032460     -1.00436487
  H     -5.34447728     -2.68619619      2.32320953
  O     -1.63639383     -2.52055321      1.46189417
  H     -6.62307588      2.30825578      3.07640799
  H     -6.59150652     -3.32151900      1.66282023
  O     -5.85698784     -2.73705930      1.49572961
  H     -5.96382780      1.26417413      2.14613189
  H     -6.15930854     -0.87476186      1.14777564
  O     -6.17084507      0.06266218      0.92179142
  H     -4.60635665      0.82510143      3.78180184
  H     -5.66684819      0.14085768      0.10091682
          69
 Energy    -250.66446886917885     
  O      2.43368009     -1.51173217      5.31911599
  H      2.27821917     -1.75778387      4.39771194
  H      0.71735928      2.58097688      2.71998355
  O     -2.73583058     -4.29581970      5.39770336
  H      2.34884876     -0.55068953      5.38286167
  H     -1.34995988      0.80960792      4.90333021
  O      1.82323754     -5.54867517      6.29951933
  H     -3.22838669     -3.53978098      5.73334134
  H     -0.76552959      2.10059091      4.27256579
  O      1.76962357     -2.19368231      2.72238897
  H     -2.07351575     -4.50757277      6.07226979
  H     -0.27680200      1.12783619      1.43834398
  O      1.15215970     -4.73827892      3.80323942
  H      1.62390115     -5.28084809      5.38389451
  H     -0.48711087     -0.40040083      1.26546046
  O      2.97385195     -3.19260743      7.43937343
  H      2.22253484     -6.41306230      6.25181939
  H     -1.10075717      1.79267199      6.89795854
  O      1.56497974      0.82495218      8.29787045
  H      0.81979051     -2.06464972      2.58847180
  H     -1.42185937      2.60160169      8.17389358
  O      1.93333492     -1.76288246      9.48239339
  H      2.21241330     -1.55010354      2.15610362
  H      2.40775920      1.82495449      3.93254361
  O     -0.59320742     -3.05693366      9.49646659
  H      1.52526453     -3.95159879      3.38670179
  H      2.62466895      1.38768146      2.45663969
  O     -0.99722068     -1.88409679      2.29425827
  H      0.22954066     -4.76808323      3.52280013
  H      0.75225274     -1.85324402      5.95639800
  O      2.63488094     -0.03808773      1.14217788
  H      2.66189105     -4.04586993      7.11785392
  H     -0.27380987     -2.92486623      6.44505389
  O     -0.24345879      2.70223747      2.60449994
  H      2.94927874     -2.59805148      6.67523046
  H     -2.03370141     -5.25070450      2.49247288
  O     -0.89099904      1.63679635      5.11013861
  H      0.63766289      1.08316652      8.34125295
  H     -2.03544463     -4.46224175      3.82273611
  O     -0.03985798      0.37041248      0.89044316
  H      1.63816473     -0.04012885      8.71959332
  H     -1.21588003     -1.29674237      7.49716244
  O     -1.17732667      1.73270763      7.86482656
  H      2.33436862     -2.29389214      8.77065810
  H     -1.77618891     -0.01109219      8.14167821
  O      2.36902194      2.13101084      3.01578993
  H      2.54684922     -1.78276425     10.21300247
  H     -3.31172313     -1.55381159      7.10048030
  O     -0.17259188     -2.00011690      6.18517046
  H      0.27496149     -2.63917313      9.57559347
  H     -4.81078126     -1.77376448      6.79427686
  O     -1.58372534     -4.55493779      2.96451775
  H     -1.19496585     -2.34368152      9.25101220
  H      0.18976945     -5.01396803      7.01651692
  O     -1.91672906     -0.96345262      8.08060268
  H     -1.43244309     -1.44438673      3.03882505
  H     -0.61174229     -4.18284925      8.08472160
  O     -3.93704007     -1.86110624      6.42235037
  H     -1.23568286     -2.81685768      2.36783451
  H      0.94373793      1.30183475      5.40385007
  O     -0.64676122     -4.56785937      7.19584620
  H      3.10139370      0.01721207      0.31238487
  H      1.93480982      1.12278830      6.57277772
  O      1.87970773      1.17486068      5.60636903
  H      1.69291486      0.12350468      0.94883836
  H     -2.85940409     -1.07663543      5.04230093
  O     -2.03782188     -0.82113864      4.60900025
  H     -0.36658741      3.55963896      2.20554333
  H     -1.33323832     -1.28373419      5.09503520
          69
 Energy    -250.66433919023950     
  O     12.58113245      9.83470345    -12.15446838
  H     13.42858813      9.62989960    -11.73332083
  H     17.48234316      9.90993582    -16.96694353
  O     13.87899789      7.02556600    -15.29204899
  H     12.73754454     10.64828419    -12.65030322
  H     14.34046738     11.80272907    -13.99470841
  O     17.70865362      9.81964138    -10.42331339
  H     13.91908005      6.35526051    -14.59574298
  H     13.32739195     12.92938208    -13.68873207
  O     16.57893708     11.55939569    -17.19917224
  H     13.06946478      7.52768779    -15.12454395
  H     14.98083758      8.17846677    -14.41233375
  O     16.46447269      4.94286932    -10.02724070
  H     18.10679110     10.17103988     -9.63170599
  H     15.74687568      9.53390313    -14.22324677
  O     13.68474624      5.39072286    -13.06671367
  H     17.91727745      8.86740837    -10.44693689
  H     12.43885494      7.12356047    -10.57363048
  O     15.10611937      9.12711339    -11.23612526
  H     16.77461556     12.24932893    -17.82613005
  H     11.75025338      8.37549157    -11.15294443
  O     14.42794584     10.13183974    -17.88680532
  H     15.77155173     11.10869142    -17.51234527
  H     16.97941128      7.49862369    -13.59045668
  O     16.38834155      4.53667297    -12.71278305
  H     16.62439327      4.14528695     -9.53056657
  H     18.47977643      7.35567448    -13.86916980
  O     15.98187170     11.35869395    -14.47795262
  H     16.47840776      4.69573340    -10.97022962
  H     11.03799599      6.45524406    -12.14630049
  O     15.45889752      7.48083714    -17.47985814
  H     13.90425110      5.82196964    -12.22733181
  H     10.06908525      5.46375631    -12.83694919
  O     17.78405847      9.01600170    -16.76455297
  H     12.72055643      5.37617616    -13.10317644
  H     18.12583794     10.46599415    -12.17251680
  O     13.40546244     11.98485800    -13.79763763
  H     15.91886708      9.47258921    -10.85073436
  H     18.73044426     10.07596951    -13.54637359
  O     15.62431901      8.64510632    -13.86680604
  H     15.30136032      8.94500356    -12.16952098
  H     20.37768589      8.70483828    -15.01344987
  O     11.57922106      7.47803927    -10.84135498
  H     13.66799773     10.23552200    -17.29429646
  H     18.90020680      8.80882774    -15.46254016
  O     17.73562234      6.91081792    -13.44615049
  H     14.68547383      9.20371394    -17.85543771
  H     17.63881904      6.43667572    -10.29661554
  O     10.88288785      5.94390425    -12.96207940
  H     15.47185818      4.67043628    -12.98453182
  H     18.07325021      7.05363621    -11.63657734
  O     18.23940204     10.76523492    -13.08263961
  H     16.89930939      5.26876177    -13.08571742
  H     11.96799683      9.72474000    -15.57184053
  O     19.48215930      8.70674895    -14.68685638
  H     16.80080422     11.27066988    -13.96497678
  H     12.68939407     11.05636527    -15.32219253
  O     18.12740472      7.17433254    -10.67799888
  H     16.21982612     11.50907173    -15.40150177
  H     14.94673323      6.02530537    -10.24172917
  O     12.41786288     10.45014731    -16.02162284
  H     15.43827272      6.74331754    -18.08503781
  H     14.61318271      7.46516463    -10.72673188
  O     14.23872821      6.58357586    -10.58388223
  H     14.88681369      7.24183704    -16.73197519
  H     11.22150378      7.52003397    -13.98538287
  O     11.62765689      8.32104906    -14.33704937
  H     17.05214911      8.43022012    -16.99149302
  H     11.94997744      8.82180356    -13.57295313
          69
 Energy    -250.66413876963458     
  O     13.18599317     12.55544511     -8.67906539
  H     13.21297911     12.81239445     -7.76137501
  H     11.47856469     13.42239295    -13.88681339
  O     11.54012871     10.34488464    -15.20424955
  H     13.87095462     13.07599007     -9.13784050
  H     13.29541533     13.18300178    -12.82273532
  O     13.96749446      9.95908284     -9.62169273
  H     12.28475612     10.34819829    -15.82507233
  H     13.17761954     14.67835534    -12.44310224
  O     18.36864726     12.95557098    -13.52221861
  H     11.32544262     11.26803515    -15.01959920
  H     11.96903672     13.82736787    -17.46547177
  O     11.23297256     12.52704969    -10.69544897
  H     13.76768867     10.81432641     -9.22279609
  H     11.73139980     13.65869768    -15.95690325
  O     11.54643744      9.72141356    -11.05517386
  H     13.14301565      9.67044175    -10.03282438
  H     14.08812890     11.06886076    -13.26212784
  O     13.26412102      9.46510640    -13.21860595
  H     19.30132887     13.12439199    -13.62278287
  H     15.20490732     11.99969846    -12.68333014
  O     14.58577245     15.84605704    -12.07429960
  H     18.07866369     12.48694603    -14.32635467
  H     16.56883886     12.29984188    -15.92213856
  O      9.70634843      9.57203746    -13.11644750
  H     11.76573906     12.55795917     -9.89087520
  H     17.10375863     10.86046126    -15.79373030
  O     14.88058556     13.12395658    -15.74672086
  H     11.72248661     13.04744740    -11.35020010
  H     15.55222811      9.61269839    -10.25270795
  O     13.90874046     10.48993631    -16.61648597
  H     10.84962087      9.48104957    -11.68392896
  H     16.92764773      8.96184937     -9.98093120
  O     10.83036322     13.03032093    -14.49275259
  H     11.44731252     10.67171091    -10.90885027
  H     14.89824805      8.72460826    -13.25768944
  O     12.65756167     13.88968401    -12.63186513
  H     12.72610349      9.48576930    -12.41713746
  H     16.16638023      8.78756071    -12.39305304
  O     12.39395509     13.91761631    -16.61525283
  H     12.67094895      9.66639023    -13.95499375
  H     16.67841753      8.38649427    -16.29040288
  O     14.45019392     11.96369645    -13.28458015
  H     15.22008230     15.55219943    -12.75275927
  H     16.22049324      8.91589594    -14.91217492
  O     17.36564849     11.78791157    -15.73174425
  H     14.62759174     16.79815580    -12.05455621
  H     16.70741822     11.20106941    -11.22953983
  O     16.44629450      9.48245707    -10.61853571
  H     10.21892036      9.67554797    -13.92854684
  H     17.32552942     12.32710227    -12.14288734
  O     15.85019216      8.54131395    -13.26811074
  H      9.32466284     10.43994902    -12.93681106
  H      8.22204344     12.61719115    -12.02593110
  O     16.33975735      9.16006467    -15.84736199
  H     14.70528156     12.68707519    -14.89645779
  H      9.71629195     12.39237764    -11.71011787
  O     16.60731915     12.11260403    -11.53355716
  H     14.05000113     13.49942013    -16.07218524
  H     17.04462151     14.35908916    -13.77863260
  O      9.03927271     12.29671238    -12.40004161
  H     14.67666890      9.94509753    -16.40385278
  H     15.81010802     14.44855347    -14.69306744
  O     16.27253900     14.90132356    -13.97699733
  H     14.21249466     11.39884694    -16.52375390
  H     14.93278772     14.63467511    -10.63416105
  O     15.08921549     13.90143025    -10.02875781
  H     10.06271176     12.82914433    -13.94601555
  H     15.69017912     13.29860871    -10.48885274
          69
 Energy    -250.66088429683683     
  O      1.39437060     -1.92300245     -8.83868359
  H      1.18258511     -2.55465191     -9.54165592
  H     -2.41290443      2.73974659     -6.32401741
  O     -0.89863886     -0.09079285     -6.49961811
  H      0.90056727     -1.11424263     -9.02800788
  H     -0.62112843     -1.37412327     -3.25178607
  O     -2.98765628      3.37609052     -7.95598275
  H     -1.42406491      0.64769104     -6.16695085
  H     -1.71852388     -1.83197591     -2.26394223
  O     -4.22160738      1.09900482     -8.68516540
  H     -1.29109130     -0.91565851     -6.19414874
  H     -2.88925137     -1.46242694     -9.09460816
  O      0.68530752      3.21434260     -5.84497425
  H     -3.45172556      2.58057326     -8.27359111
  H     -1.78731341     -0.50665236     -9.67899448
  O     -0.21352322      3.00948370     -8.62370869
  H     -3.52536481      4.12419638     -8.20073892
  H     -4.57302720     -0.20489420     -5.70828266
  O     -0.28117250      0.28748496     -9.11094764
  H     -3.74846341      0.45678077     -9.22807790
  H     -6.04357256     -0.43084940     -6.12748764
  O     -2.14215259     -3.04374087    -11.56430552
  H     -4.60149993      0.60750196     -7.94651115
  H     -2.97011097     -2.59464334     -6.98652653
  O      0.52590263     -3.69328445     -6.88701241
  H      1.13571168      2.35912747     -5.73154688
  H     -4.26759272     -1.83742469     -7.32784313
  O      0.44459939     -3.82860608    -10.58251668
  H      1.26323848      3.87873593     -5.47921402
  H      3.15229793     -1.89936713     -6.20713002
  O     -1.75547124     -2.64925748     -5.71462765
  H     -1.15042352      3.20687809     -8.49827764
  H      2.74102755     -1.43011635     -7.61922777
  O     -1.99176555      2.33419643     -5.55359780
  H      0.19224087      3.14555099     -7.75966902
  H      2.28997850      0.14746388     -6.05786511
  O     -1.57767105     -1.53445946     -3.15890102
  H     -0.51938394      0.10564977     -8.18741774
  H      0.75448156      0.34064247     -5.94057652
  O     -2.62745255     -0.94869180     -9.87312356
  H     -0.15468223      1.24461740     -9.14854346
  H     -3.01446816      1.08211958     -4.63826196
  O     -5.14934159     -0.43239760     -6.45904640
  H     -2.33104876     -2.23563322    -11.05725804
  H     -2.85120124     -0.29325031     -3.94189035
  O     -3.60555143     -2.43175899     -7.70000626
  H     -2.46017168     -2.89239248    -12.45044829
  H     -2.75526492     -4.19370235    -10.16617699
  O      3.23433440     -1.16759586     -6.82923951
  H      0.19345082     -4.44931832     -7.38810217
  H     -3.29730151     -3.95030122     -8.74276840
  O      1.60615772      0.67202927     -5.61681089
  H      0.80561446     -3.02654373     -7.53286675
  H      1.57484233     -1.95357051     -3.92454531
  O     -3.47683386      0.26021800     -4.42276877
  H     -0.37604301     -3.55742391    -11.01258911
  H      1.31920127     -0.45259541     -4.12020516
  O     -2.92068142     -4.62809394     -9.31977676
  H      0.20160228     -4.55001374     -9.99055117
  H      1.77187773     -3.52753277     -5.62879927
  O      1.07181148     -1.20867841     -3.57283519
  H     -0.92753373     -3.05687583     -6.00537135
  H      2.94609887     -4.06534333     -4.77860812
  O      2.44503897     -3.27740270     -4.97356960
  H     -1.69853315     -2.44440352     -4.77349470
  H     -0.56476823     -6.60912675     -8.60294818
  O     -0.54181895     -5.65775162     -8.54818536
  H     -1.10238794      2.70823699     -5.50815972
  H     -1.43348995     -5.34180972     -8.78188924
          69
 Energy    -250.65970304879204     
  O     12.80342871      7.21929016    -15.60033572
  H     12.50108067      8.00422116    -15.12941575
  H     13.08296369      3.37937836    -12.58397620
  O     16.88446624      5.88052546    -11.01119194
  H     13.76853653      7.22727162    -15.55326410
  H     13.36905155      5.43285207    -12.25272483
  O     12.28457677      2.65763922    -11.18951926
  H     17.83901673      5.79677965    -11.12451300
  H     13.67057822      5.96674217    -10.82463065
  O     14.45449137      8.21105216     -8.55666354
  H     16.69762095      6.82847813    -10.94327730
  H     13.05338002      9.24951658    -13.45426853
  O     18.23353352      8.13878486    -15.00574836
  H     12.68312498      2.76044392    -10.31707748
  H     12.17078880     10.39373491    -14.00852372
  O     16.05271566      4.92276014    -13.54665397
  H     11.37316908      2.96333315    -11.09310209
  H     20.42521361      5.55861705    -11.51196224
  O      9.71445147      3.80547715    -10.81191739
  H     13.50705360      8.13939775     -8.77906201
  H     19.38328420      5.68828992    -12.65093328
  O     18.61573351      8.59674173    -12.34337783
  H     14.49945720      8.61916836     -7.69596168
  H     14.10650613      7.66899672    -12.39529828
  O     13.31867363      3.32063401     -8.60850085
  H     18.36212656      8.38134775    -14.07145104
  H     14.95231794      8.11878284    -13.61305528
  O     11.12458624      5.17883180     -8.73756037
  H     18.77035695      8.73477286    -15.52118224
  H     15.57379828      5.50086956     -9.84067342
  O     11.86682384      7.81009839     -9.15194172
  H     15.21582510      4.44033017    -13.50202771
  H     14.69944972      6.39452550     -8.91118120
  O     13.48615494      3.93518797    -13.26969800
  H     16.25906736      5.22057252    -12.65007353
  H     15.71713050      8.58909358     -9.93286429
  O     13.35384159      6.22302102    -11.69716468
  H      8.84833362      3.41486182    -10.73414135
  H     15.66205259      8.69645184    -11.47457866
  O     12.19373581      9.45147846    -13.86225866
  H      9.68453754      4.39947978    -11.58281090
  H     18.64316409      6.26673348    -14.66694554
  O     19.58907852      5.95643037    -11.73677785
  H     19.05633080      7.79413729    -12.03658151
  H     17.84354658      5.06127105    -14.13439984
  O     14.51395199      8.44415347    -12.81447455
  H     17.89616974      8.76290337    -11.72180737
  H     11.80540311      7.16324072    -11.78477121
  O     14.77221232      5.51264610     -9.29802115
  H     13.72895350      2.83685555     -7.89663607
  H     11.28367654      8.40654111    -12.55169067
  O     16.26889039      8.60096630    -10.72421866
  H     13.90275568      4.07167724     -8.81151708
  H     15.71870204      6.37324533    -14.57961857
  O     18.74175359      5.40034170    -14.25328236
  H     11.80808609      4.52310014     -8.55933829
  H     16.46509417      7.59376397    -15.17724846
  O     11.04342447      7.75777755    -11.88015372
  H     10.56232402      4.77821918     -9.41237421
  H     11.98077957      5.72163401    -15.30641525
  O     15.58729113      7.21786909    -15.03702157
  H     11.57606210      6.91467743     -8.91853408
  H     11.24182710      4.49888948    -15.89859020
  O     11.55161034      4.87733488    -15.07973726
  H     11.45832161      7.99859367    -10.00399302
  H     10.06709413      6.34446013    -12.58846921
  O      9.76677412      5.48751648    -12.92058086
  H     12.81274681      4.13573776    -13.93157135
  H     10.31886952      5.27997730    -13.68337226
          69
 Ord_Energy   -250.657288    
 O    1.62653744       4.76964521      0.307412207    
 H    1.35164809       4.12313414     -0.353644490    
 H   0.929541886       5.43763781      0.301680624    
 O   -1.61146653       8.24607563       2.07694149    
 H   -1.01259112       8.98755550       2.04685307    
 H   -1.22453570       7.54861403       1.51997077    
 O   0.470953554       2.87149811      -1.53246737    
 H  -0.440051764       3.17780185      -1.69282532    
 H   0.834385991       2.63749480      -2.38237572    
 O   -2.58841944       6.56562710       4.10951614    
 H   -3.38477731       6.25248003       3.65756845    
 H   -2.22730613       7.26520777       3.55182099    
 O  -0.339414924       1.41698730      0.703871667    
 H    8.19678977E-02   1.80805349      -7.27407113E-02
 H   0.334934503       1.23297334       1.37027872    
 O   -1.00481975      0.456000119       4.32926893    
 H   -1.26191759       1.22634268       4.85332394    
 H  -0.173270747      0.671712220       3.89192343    
 O   -4.41867399       2.08191252       3.70823979    
 H   -4.35213995       2.51476192       2.84480453    
 H   -4.16963720       1.15864158       3.57767749    
 O   -4.07435608       7.47044992      0.782002687    
 H   -3.33839417       7.90267754       1.23212421    
 H   -4.52428150       6.94883680       1.45907009    
 O   -4.19137669       3.50481153       1.32828903    
 H   -4.35273266       3.03110671      0.505322933    
 H   -3.23125386       3.63687253       1.39206207    
 O   -4.20378113       1.94504273     -0.997898281    
 H   -3.73546243       1.26041031     -0.483998537    
 H   -4.84874392       1.49526763      -1.53618133    
 O   -4.93246078       5.68997669       2.80177999    
 H   -4.73057127       4.95066786       2.20689940    
 H   -5.40609312       5.30513763       3.54784298    
 O    1.38394117       1.08257484       2.87632322    
 H    2.20074892      0.618026495       3.03558397    
 H    1.58722281       2.03533292       2.92546201    
 O  -0.630545855       4.57778025       4.08811092    
 H   -1.21287239       5.34807730       4.13385296    
 H   -1.06201160       3.88837600       4.61212254    
 O   -1.51620960       3.79951286       1.60073340    
 H   -1.18167448       4.01182079       2.48258495    
 H   -1.09040129       2.98429799       1.30808914    
 O   -3.49111390       5.01607132       6.36497498    
 H   -4.36797094       4.79109812       6.03007317    
 H   -3.14935374       5.69025803       5.76379299    
 O    1.78175616       3.72619915       2.90092373    
 H    1.06455696       4.15022182       3.38911414    
 H    1.80246508       4.12546062       2.01929975    
 O  -0.812726915       6.20790243      0.419369638    
 H   -1.40637660       6.32194996     -0.332689494    
 H   -1.04483008       5.35173607      0.811684310    
 O   -2.82921576      0.212591603      0.522245109    
 H   -3.04356050      -8.50170478E-02   1.41322136    
 H   -1.92261767      0.550339341      0.563638806    
 O   -5.85221767       4.08953524       4.96943569    
 H   -5.42291355       3.30571914       4.58725309    
 H   -6.68790245       3.79804373       5.32545853    
 O   -3.30401134     -0.453924298       3.25631285    
 H   -2.44049096     -0.192795739       3.62679148    
 H   -3.49924541      -1.32070792       3.60191798    
 O   -2.23210192       2.74544644       5.41584873    
 H   -2.58339691       3.47825336       5.94258785    
 H   -2.94356179       2.50770307       4.80606651    
 O   -2.10800195       3.65786004      -1.89308965    
 H   -2.82739091       3.06111002      -1.65316343    
 H   -2.44317341       4.55243587      -1.76024187    
 O   -2.93331552       6.35841465      -1.43184960    
 H   -3.12865400       6.92838097      -2.17156839    
 H   -3.43254447       6.71123123     -0.674359143    
          69
 Energy    -250.65719171391146     
  O     15.77274284     11.08176531    -10.26048410
  H     15.85944141     11.38647352    -11.17538879
  H     13.99068647     10.99270052    -15.70425209
  O     13.74086091      7.92289156    -14.98175308
  H     16.54095741     10.52379703    -10.09556328
  H     18.84674798      9.92053409    -13.22699629
  O     16.76872802      5.30204053    -12.69559618
  H     14.13271089      7.06481454    -15.18108874
  H     19.09885107      8.41006015    -12.96069299
  O     19.03834854      6.58533590    -13.63874215
  H     14.40531312      8.37317511    -14.43387301
  H     15.85127693      9.84659868    -13.29416740
  O     13.55094059     12.11316351    -14.22156966
  H     16.28112181      4.53272056    -12.37714542
  H     15.92623927      8.42275308    -12.67336658
  O     13.06874996      4.91098925    -10.66055103
  H     16.53555381      6.03500487    -12.10340006
  H     14.15301452     10.66538172     -9.88434915
  O     11.97122895      7.78718244    -12.89301391
  H     18.30030987      6.05546815    -13.29411712
  H     12.91124660     10.86605539     -8.98044379
  O     16.11116435      7.43429831    -11.14474144
  H     19.79265565      6.00290468    -13.68686446
  H     13.96996335      3.60691191    -13.42471976
  O     17.07229683     10.30421880    -16.58823441
  H     13.02539974     12.89003684    -14.39372666
  H     14.05020537      4.47514699    -14.69213781
  O     11.28427090      5.05342076    -12.89620996
  H     13.04465190     11.56653631    -13.59358232
  H     11.98798908      9.65576710    -12.61664739
  O     17.30650055      7.71786129    -15.56289114
  H     13.21575873      5.83602855    -10.42637039
  H     12.52168862     10.57907432    -11.50321127
  O     14.29846614     10.36673739    -16.37077426
  H     12.35197822      4.91743920    -11.30787388
  H     15.83069077      5.50860684    -14.32009496
  O     19.07450427      9.27910007    -12.54347899
  H     12.52941889      7.83657332    -13.68411157
  H     16.03970066      6.27474583    -15.61976400
  O     15.80266045      8.90586771    -13.49913497
  H     11.58202334      6.90478793    -12.89434952
  H     15.03332609      2.51975922    -11.32449180
  O     13.23061267     10.38532605     -9.73882277
  H     15.20162246      7.54393349    -10.83271458
  H     14.33196461      3.89888577    -11.31157615
  O     13.43890968      3.96174018    -14.14851729
  H     16.69521276      8.01091685    -10.63760640
  H     17.90926675     10.99825032    -15.26055257
  O     12.23938361     10.56818606    -12.42548080
  H     17.24504264      9.35995450    -16.47925428
  H     19.00325251     11.96268490    -14.74496241
  O     15.43417234      5.65704865    -15.19039823
  H     16.10799453     10.39346967    -16.60876262
  H     13.33005518      8.57685407    -10.11573463
  O     14.97712908      3.34860346    -11.79217476
  H     10.49119081      4.57773284    -13.12794286
  H     12.96076846      7.73752552    -11.36245549
  O     18.34105102     11.34044760    -14.45628866
  H     12.00690293      4.66813695    -13.42386062
  H     18.39290242      9.31479842    -10.94914976
  O     13.44793112      7.71091014    -10.52523164
  H     18.04352447      7.31689319    -15.08817947
  H     18.63545217      9.22006717     -9.42333537
  O     17.94876162      9.25970616    -10.08323764
  H     16.79369544      8.18950061    -14.88664503
  H     15.23328513     11.93750270    -13.47138820
  O     16.00084445     11.65436759    -12.95673007
  H     13.97531692      9.50357152    -16.08499549
  H     16.79431923     11.71552186    -13.50420046
          69
 Energy    -250.65608926949920     
  O     15.26482839      8.37089658     -9.29647593
  H     14.66882112      8.13183979     -8.59164985
  H     12.74929652      6.53905774    -15.93320166
  O     16.13755999      5.53825972    -16.72299912
  H     14.72263643      8.49336138    -10.09482849
  H     17.24472789      8.34223297    -18.64811542
  O     16.91025217     10.63648660     -9.87134178
  H     16.32661346      6.34278928    -17.21983914
  H     17.59506353      8.16379926    -17.14856003
  O     17.94978235      9.90325239    -13.69031498
  H     16.88716284      5.42183265    -16.12650984
  H     17.07094384     11.43809845    -14.03722826
  O     10.42359464      9.81401554    -12.99310795
  H     16.32649429      9.94630744     -9.53623797
  H     17.06996164     12.91400103    -14.49087965
  O     16.54075004      5.67832547    -12.83076431
  H     16.35811334     11.23925209    -10.39098695
  H     16.05796972      7.34426218    -13.39308677
  O     11.96924270      7.40032057    -13.03622225
  H     17.17132879      9.32603491    -13.64002917
  H     15.16261626      8.49774828    -12.87425501
  O     15.34592431     12.21463829    -11.52560036
  H     18.41235722      9.79650860    -12.84898540
  H     18.95014544      4.83088292    -14.70195128
  O     13.95832422     11.27116011    -15.04919727
  H     10.65200812      9.92991450    -13.93381802
  H     17.70170953      5.51069773    -14.09254225
  O     13.62621713      4.87481456    -15.94030463
  H      9.50234364     10.04232297    -12.90316980
  H     13.14090528      5.81107792    -12.90636335
  O     14.85899349      8.88151292    -16.06353400
  H     15.60889076      5.41826214    -12.79382587
  H     13.76067699      4.98653632    -14.04247028
  O     12.52643815      7.46628193    -15.78654684
  H     16.82094912      6.04798955    -11.97888555
  H     19.76704476      9.59738055    -10.66800202
  O     16.88030423      8.08268175    -17.80693539
  H     12.16589634      7.41182921    -13.98486018
  H     18.25329667      9.92278823    -10.64989141
  O     16.50472741     12.21687457    -14.16640690
  H     11.31430595      8.09557377    -12.89836198
  H     18.57558648      8.80727585    -15.10582090
  O     15.77704395      8.24939353    -13.57647644
  H     15.76608220     12.31128286    -12.38835197
  H     18.66680678      7.28982716    -15.42365426
  O     18.29845514      5.50839975    -14.86212683
  H     14.41916997     12.01981892    -11.70970962
  H     17.99565672      7.75796874    -10.81876214
  O     13.84761820      5.18595836    -13.10091159
  H     14.76856964     11.74219870    -14.81883461
  H     16.69413707      7.40723098    -10.07693860
  O     18.94871951      9.43237439    -11.12815261
  H     14.25982330     10.45695042    -15.47975180
  H     11.63675221      9.15715690    -15.77457213
  O     18.70013180      8.17019446    -15.82010679
  H     14.52716375      5.09448826    -16.23800492
  H     12.14503607     10.59734519    -15.52673535
  O     17.39200429      7.03063881    -10.62768488
  H     13.37559605      4.07436653    -16.39397586
  H     11.96593734     10.85804673    -12.52441124
  O     11.35191393     10.04827137    -15.53023809
  H     15.22413780      8.59970687    -15.20954589
  H     13.20088252     11.24082766    -13.37987886
  O     12.86602689     11.20037788    -12.47119088
  H     15.51240552      8.67956986    -16.74267554
  H     13.23678336      8.19773896    -12.03702492
  O     13.88475446      8.77738559    -11.61316670
  H     13.34618859      7.95761063    -15.94981322
  H     13.60921899      9.68291069    -11.81036143
          69
 Energy    -250.65551611691558     
  O      9.87249791     12.89025617    -12.18338781
  H      8.98128697     13.20388720    -12.31776349
  H     13.90440777     13.78281908    -12.78856462
  O     14.08085600      8.68681326    -17.19249899
  H     10.28533689     12.83972032    -13.06185060
  H     17.15471135     10.13689433    -11.07243573
  O     10.78030810     10.28507230    -11.44395829
  H     14.21432295      7.98961842    -17.82837649
  H     16.15065369      8.97122042    -10.96771666
  O     14.14987176      8.99216354    -14.38384176
  H     13.12582733      8.87905649    -17.17844336
  H     13.21037050     14.73807588    -11.01764871
  O     11.92166559     12.31859115     -8.02185769
  H     10.32287674     11.11734694    -11.61391755
  H     13.91513041     16.03220850    -11.49197349
  O     14.57075385     11.49826782    -16.91246411
  H     11.71405126     10.51986297    -11.31459331
  H     14.13946982      9.41510900    -11.49244117
  O     11.47797576      9.80797603    -14.11676122
  H     14.23603911      8.74059405    -15.31060125
  H     14.46398900      8.42424863    -12.61561467
  O     13.53245181      8.21591483     -8.99143069
  H     13.22685486      9.25741049    -14.25690219
  H     18.36167673     11.96707447    -12.25117555
  O     13.44158142     11.04647245    -11.26779350
  H     11.65271122     11.40597524     -8.23620900
  H     17.00281580     12.32931649    -11.60604818
  O     11.27146863      9.80468270     -8.71010994
  H     11.52466297     12.53139171     -7.18184864
  H     11.41583436     12.60315769    -15.48327976
  O     16.12245272     13.41586578    -10.59155745
  H     15.04720522     11.57888216    -16.07657612
  H     12.13917697     12.80068810    -14.11947352
  O     13.64628604     13.00742995    -13.30094826
  H     14.54557343     10.55307869    -17.10943855
  H     13.71741596     12.09295988     -8.41371705
  O     16.89527897      9.39433318    -10.51601979
  H     11.41396835     10.75582651    -14.29869021
  H     14.97531089     11.15626709     -8.44383591
  O     14.00110989     15.08325285    -11.47187619
  H     11.15248921      9.70406876    -13.21438339
  H     15.18761962     10.52070200    -14.22296456
  O     14.50737461      8.53216434    -11.65868362
  H     13.80106198      8.09651724     -9.91111385
  H     16.31996655     11.40726494    -13.60668196
  O     17.45712856     11.67544825    -12.16810196
  H     14.30215836      8.59156087     -8.54834654
  H     12.94016793     12.09024327    -17.11846289
  O     11.28221323     12.59172599    -14.52798677
  H     13.82717127     11.36893926    -10.44351483
  H     11.91601561     12.83967218    -18.00330582
  O     14.56684905     11.93534954     -8.84444060
  H     13.51889964     11.74780304    -11.92485478
  H     16.47912203      9.31477757     -7.35806802
  O     15.62779485     11.38161356    -14.27908093
  H     12.01730063      9.18704214     -8.74354895
  H     16.32582813      9.51778406     -8.88578249
  O     11.99476005     12.30531130    -17.21766253
  H     10.90032940      9.82227687     -9.60064034
  H     11.78915916     13.45266963     -9.54755881
  O     15.86934998      9.60884524     -8.02874170
  H     15.50395967     14.09701981    -10.87852762
  H     11.11156354     13.65043045    -10.92558322
  O     11.78641617     14.00797307    -10.33667569
  H     15.66421738     12.93661116     -9.88616925
  H     11.51131293     10.42257598    -17.13155642
  O     11.48978933      9.47990368    -16.92465529
  H     14.42975282     12.57075635    -13.66385610
  H     11.32480412      9.42665677    -15.97332820
          69
 Energy    -250.65425165625589     
  O      0.85545927     -0.51192098      4.80622070
  H      0.87633785      0.44650726      4.90332513
  H     -2.63006558      2.91693464      0.41850695
  O      1.80041315     -0.60716187     -2.69408304
  H     -0.06611091     -0.75249669      4.96454464
  H     -1.94614026     -0.43816652      3.97817394
  O     -0.47241343      0.17784723     -1.11709198
  H      1.73938818     -1.56262393     -2.56461204
  H     -2.16002607      0.25310552      5.34108486
  O      1.64137108     -3.32953980     -1.81628011
  H      0.97534915     -0.24459388     -2.34784781
  H      0.55590176      1.74336063      1.73709823
  O      3.20896364     -2.48109133      0.23218903
  H     -0.71078041     -0.75827610     -1.04744401
  H      0.12096918      2.30011926      3.13111709
  O     -3.82778444      2.48000508      3.59708050
  H      0.17737333      0.34973373     -0.42204399
  H     -2.84527516      2.11923276     -2.03736008
  O     -3.41688157     -3.88634379      2.26564251
  H      2.21210418     -3.10345300     -1.05964479
  H     -1.88157749      1.26209339     -1.18589730
  O      0.38842280      2.34211404      4.97206211
  H      1.98506465     -4.13668364     -2.18929500
  H     -1.22775536      0.67585746      2.18230384
  O      3.70943341      0.12491701     -0.89488895
  H      3.55405836     -1.63389185     -0.07467479
  H     -2.47074459     -0.09949844      1.63088606
  O     -5.54763287      0.37250253      2.72201315
  H      2.78818635     -2.30688982      1.08511482
  H     -0.07553065     -2.92652537     -1.23155587
  O     -4.38500760     -1.76320121      3.91814979
  H     -4.46084193      1.80537730      3.32850636
  H     -0.81330748     -2.69331139      0.11508365
  O     -2.53272491      3.29855773      1.29740765
  H     -3.44084834      2.83677410      2.78385576
  H      0.85941720     -2.23648441      2.28176508
  O     -2.02214014     -0.60882899      4.93113462
  H     -3.73021526     -4.78671601      2.28047968
  H      1.52401795     -1.31663388      3.32682950
  O     -0.15494433      2.19654268      2.21256351
  H     -3.56772625     -3.54967391      1.36346733
  H     -2.83889690      2.29756750      4.96066173
  O     -2.69213304      1.79883986     -1.15219575
  H      0.83378721      3.01902114      5.47587662
  H     -2.75049162      2.43086292      6.50076940
  O     -1.70612581     -0.16101524      2.21700530
  H     -0.52967284      2.31478675      5.28827871
  H      1.56958263     -0.22490209      1.40566091
  O     -0.87930298     -2.56088531     -0.84258611
  H      4.45300868      0.58146672     -1.27793747
  H      2.34451650      0.54379054      0.29987485
  O      1.65490769     -1.71289025      2.45302577
  H      3.09943513     -0.08694097     -1.62428837
  H     -1.11413111     -1.81281264      2.03974666
  O     -2.26854220      2.13067294      5.73519090
  H     -5.17810486     -0.40966394      3.17142014
  H     -1.62189476     -3.26771131      2.16785305
  O      1.54082940      0.55527498      0.83273447
  H     -6.49132266      0.34688519      2.85487681
  H     -2.75913952     -2.79150609     -0.62050236
  O     -0.85106809     -2.74144059      1.92724845
  H     -4.09611583     -2.52377476      3.39947731
  H     -3.82711075     -1.85441062     -0.02554883
  O     -3.63045853     -2.78538933     -0.20406954
  H     -3.61646162     -1.47466976      4.42800687
  H     -4.57905198      0.18861747      1.14692953
  O     -3.92387729     -0.10399737      0.50014708
  H     -1.64019331      3.05591656      1.58425510
  H     -3.68793006      0.63154472     -0.07837968
          69
 Energy    -250.65413057411263     
  O     15.64528520     11.88710351    -12.31330145
  H     14.92461109     11.26703160    -12.51722716
  H     17.63404001      8.82473340     -9.15520711
  O     14.74977766      9.85014454     -8.43862608
  H     16.38292112     11.66829507    -12.89168941
  H     18.49187881      6.36856913    -14.38866677
  O     16.66766201      7.83737665     -7.86989464
  H     15.31727748      9.12940888     -8.14367302
  H     17.19593042      5.61001197    -14.74240167
  O     13.30798076     12.13286680     -7.59865046
  H     15.32309172     10.47820956     -8.90178802
  H     18.94415132      9.82721583    -12.81664495
  O     11.66220078     12.10326580     -9.94339906
  H     16.33980906      7.05323732     -8.34528135
  H     19.03036779      9.28678156    -11.37371429
  O     13.74287107     13.54343352    -10.97786427
  H     16.95661691      7.53766412     -7.01221500
  H     14.50834021     13.32131263     -8.08375392
  O     13.65369735      8.28935063    -14.89982155
  H     13.74389538     11.27396972     -7.68130853
  H     15.35250518     14.60856530     -7.91522795
  O     16.01823464      4.41677485    -13.83085767
  H     12.61616359     12.13757106     -8.27267678
  H     12.14449737     10.29492108    -10.12834790
  O     13.58565343     10.20007428    -12.76265927
  H     10.83309270     12.51484960    -10.17162259
  H     13.36610644      9.53803486     -9.56972887
  O     16.24780795      8.02357903    -11.73784700
  H     12.35966430     12.61338544    -10.39253953
  H     16.24862080      8.43267342    -13.47111545
  O     17.37065677      5.46309146    -11.61083258
  H     14.25356929     13.82176215    -10.20776202
  H     16.85244325      7.82187809    -14.76870434
  O     17.92088672      9.36410431     -9.90257037
  H     14.36836331     13.10007916    -11.56486735
  H     20.56388355      6.33403890    -12.85604571
  O     17.77260249      6.32893422    -15.03211390
  H     14.61561951      8.42515345    -14.84773289
  H     19.58637992      7.51563967    -12.66692346
  O     19.41366223      9.19826191    -12.25785001
  H     13.39135718      8.50686479    -15.79078970
  H     13.63952517      6.14877528    -12.53635358
  O     15.18579573     13.87988839     -8.50619601
  H     15.17963882      4.90118438    -13.72074864
  H     13.62007522      6.62227431    -14.00188519
  O     12.63230988      9.46510304    -10.19882915
  H     15.78953383      3.52496821    -14.07773529
  H     14.93661737      6.04801414     -9.76058362
  O     16.33999208      8.56986933    -14.42786287
  H     13.44384077      9.53012338    -13.43902465
  H     16.35480848      5.49076296    -10.00894293
  O     19.63859354      6.56397875    -12.86705012
  H     13.21734233      9.86144492    -11.93713398
  H     17.24538069     10.08568949    -14.24288583
  O     13.76804079      5.84772159    -13.44616738
  H     16.62944123      7.13454972    -11.70044586
  H     18.09432712     11.27296722    -14.75476180
  O     15.73754801      5.74597181     -9.31069906
  H     16.77186658      8.57104254    -11.14139395
  H     14.59440120      7.47599537    -11.21206388
  O     17.74730551     10.87018074    -13.96213653
  H     18.22914816      5.74852034    -11.95025795
  H     13.18695353      7.73297868    -10.63290781
  O     13.78576460      7.03028662    -10.91275617
  H     16.92367553      4.99914482    -12.33241240
  H     16.18111340     11.75968494    -10.62680354
  O     16.45535691     11.67583302     -9.70041669
  H     17.54167274     10.24648628     -9.77742638
  H     16.18830663     12.48646252     -9.25175531
          69
 Energy    -250.65296342816964     
  O     16.21610000     10.47709074     -9.64598132
  H     16.70295660     10.61335267    -10.47114438
  H     16.31163425      3.90343071    -16.35486950
  O     14.53061270      8.68945217    -15.05610845
  H     16.54589910      9.64932162     -9.27839112
  H     18.84289721      6.38887099    -11.16713037
  O     13.94750279      5.20799642    -12.18806729
  H     14.31746475      7.74953454    -15.13668213
  H     19.30290310      7.85136703    -11.39263720
  O     18.58403184      4.86816873    -12.29848468
  H     13.78322730      9.09348565    -14.59514457
  H     16.95339699      7.56850010    -13.42070385
  O     16.14817126     12.35013299    -13.96406389
  H     13.02148601      5.35977955    -11.96664251
  H     15.68400862      8.41349227    -13.69732096
  O     12.34516967      9.48243221    -13.53143826
  H     14.45358275      5.81619621    -11.62820409
  H     14.56609082     10.89642503     -9.84445088
  O     15.21357034      7.17743769    -10.74950090
  H     18.47226198      5.42043268    -13.09212154
  H     13.35363073     11.71908646     -9.34345077
  O     19.01295087      8.74634713    -15.53939120
  H     19.38562503      4.36497098    -12.42715868
  H     13.17292549     11.12825545    -13.18331106
  O     11.27044578      7.06578822    -14.35193967
  H     16.20224157     13.29044452    -14.11160997
  H     13.73095478     11.65976836    -11.85192724
  O     17.99111597      6.41383130    -14.47259746
  H     15.26944471     12.17812278    -13.57989955
  H     16.88815531      3.99393051    -12.69163681
  O     16.75580742     10.22485786    -15.76502646
  H     11.83168044      8.76609202    -13.93162257
  H     15.33832631      4.06791558    -12.73245785
  O     16.21489439      4.59575057    -15.70668387
  H     12.53155165      9.19217496    -12.62806773
  H     14.59324141      5.50392947    -15.34276290
  O     18.96694302      7.23572982    -10.72544867
  H     15.64741951      7.55351125    -11.53239298
  H     13.92739215      5.74842413    -13.97210212
  O     16.32461035      8.17599362    -13.01346750
  H     15.80470192      7.33026402    -10.00407971
  H     10.67811508      6.10310252    -10.96291158
  O     13.63072376     11.10866799    -10.02109925
  H     19.61184539      9.00740366    -16.23358548
  H     11.79636053      7.12776618    -11.25576383
  O     13.76681315     11.79056559    -12.80699370
  H     18.21940245      9.30415347    -15.63176837
  H     19.59268748      8.96648388    -13.64935955
  O     16.10926255      3.67478003    -13.16330079
  H     11.16806169      6.71225511    -13.45955149
  H     19.05306974      9.75330237    -12.45100508
  O     13.88719132      5.99505901    -14.90723954
  H     12.04690942      6.62360927    -14.71803384
  H     12.97093576      9.44717238    -10.50592468
  O     11.39261072      6.29915354    -11.56398599
  H     17.41924860      5.90422597    -15.06014017
  H     13.67073786      8.09908931    -10.79478446
  O     19.69409275      9.07149794    -12.69781989
  H     18.38890783      7.14456609    -14.96499890
  H     17.46433284      7.61476028     -8.00993684
  O     12.83038723      8.57209654    -10.88880096
  H     16.59569610     11.01582059    -15.23636397
  H     17.85574985      7.68527515     -9.50536828
  O     17.15085338      7.89628805     -8.86454174
  H     15.94837367      9.69780571    -15.69043770
  H     17.07454146     11.28295111    -12.74695941
  O     17.41513447     10.60242941    -12.15437260
  H     16.17803185      4.16456322    -14.83202218
  H     17.04077830      9.76070205    -12.45730262
          69
 Energy    -250.65235469174394     
  O      2.04478389     -0.72824499      2.72185158
  H      2.94918545     -0.97458530      2.89760149
  H     -2.68278448      3.14425249      0.66650616
  O     -3.25866136     -0.46360401     -3.39562775
  H      1.92989197     -0.76750785      1.75516184
  H     -0.60727698      3.71682749      0.85553890
  O     -0.06629013     -1.16281200      4.62231805
  H     -2.44562660     -0.00249520     -3.15122592
  H      0.51421816      2.88456263      1.49586378
  O     -4.71276364     -0.15897262     -1.05890279
  H     -3.07136223     -1.40156871     -3.26615111
  H     -3.55574306      1.13455389     -0.53081566
  O     -2.70229913     -3.15590129     -2.48078324
  H     -0.32015656     -0.27418983      4.89722189
  H     -2.11497240      1.43193952     -1.00677079
  O     -0.48555294     -2.01491390     -1.11313205
  H      0.65821737     -1.06333045      3.99195008
  H     -1.97345369      0.81345841      1.00825266
  O     -2.69803367      2.78109835      3.97329879
  H     -4.48057208     -1.02032494     -0.68559862
  H     -0.86228613      0.80777810      2.10269821
  O     -4.33319809     -2.27573333      3.93064547
  H     -4.37388004     -0.17076924     -1.96552045
  H     -3.19824633     -2.61368946      0.47735332
  O      0.66709667      1.69347596      2.82626095
  H     -2.92482658     -3.99096899     -2.88465633
  H     -4.72861050     -2.87126390      0.52416784
  O     -0.93621661      0.59214234     -2.09555281
  H     -3.23449298     -3.08725880     -1.66993778
  H      1.08250629     -1.20992586     -0.42364093
  O     -3.99791366      0.43510103      3.27479320
  H     -0.81022637     -2.19877327     -0.21852170
  H      1.68520881      0.21133898     -0.38763316
  O     -2.48708554      3.87373928      1.27873805
  H     -1.07941602     -2.48848233     -1.70736815
  H     -1.40852462      2.04375803      4.86183687
  O      0.28894635      3.39791692      0.70538137
  H     -3.31390474      2.04650848      3.83425808
  H     -0.54416721      1.97404632      6.14155364
  O     -2.78232645      1.68704700     -0.35421698
  H     -2.60312517      3.21380534      3.11744620
  H      1.00019081      2.48370713     -0.57629188
  O     -1.62466020      0.32486180      1.76579930
  H     -4.21593037     -1.31761798      3.86282722
  H      2.05766289      2.39983880     -1.70287817
  O     -3.98756124     -2.71450686     -0.07478080
  H     -3.45181467     -2.65010481      4.03964208
  H     -1.35230818     -4.01937691      4.51081321
  O      1.71719536     -0.65186601      0.04244686
  H      1.26413448      0.93462472      2.81187380
  H     -1.09584699     -2.50702247      4.30802286
  O     -0.64431758      1.59844028      5.27112521
  H      0.31865815      1.76820352      3.72440173
  H     -1.61360927     -2.80171570      2.22238888
  O      1.38933829      1.89473731     -1.24779612
  H     -0.11841027      1.08513999     -1.95474924
  H     -1.60877910     -1.40474070      1.54560214
  O     -1.65413017     -3.25515163      4.02768198
  H     -0.78391144     -0.29612929     -1.74263833
  H     -6.71977693     -3.37764602      2.16180109
  O     -1.64701476     -2.35833235      1.36767596
  H     -4.73048774      0.39997023      2.64103897
  H     -5.41439886     -2.70526125      2.65357662
  O     -5.98095146     -2.84953337      1.87299186
  H     -3.17402639      0.35920832      2.77315132
  H     -5.73638244      0.09778365      0.50956437
  O     -6.01220574      0.01595348      1.43162341
  H     -3.05348772      4.59895075      1.02481633
  H     -6.17570879     -0.92504667      1.56922533
          69
 Energy    -250.65232926576937     
  O     -6.01138957      0.43618746     -0.12706553
  H     -5.52044121      1.24376333     -0.34099416
  H     -0.67446195     -1.88097076      3.88083007
  O     -5.32367501      0.92356873     -4.50016973
  H     -6.02163167      0.38089208      0.83683413
  H     -3.62377454      2.13038271     -0.30510554
  O     -5.64147933      0.43848640      2.66606114
  H     -4.82688419      0.14726645     -4.78682392
  H     -4.43384780      3.42607199     -0.07065003
  O      0.22064611     -1.24977392      0.91245833
  H     -5.99445367      0.59510257     -3.88882724
  H      2.65482411      0.90635093     -0.41623040
  O     -1.76613773     -1.18857693     -1.01208180
  H     -5.13587015      1.25793462      2.81007615
  H      1.25167516      1.12996289     -1.02805485
  O     -3.71033156     -1.43432193     -4.89937955
  H     -6.27263137      0.38012180      3.37905867
  H     -1.38957723      4.56210096     -0.98990510
  O     -4.34251660     -1.86369051     -0.30096973
  H     -0.42407040     -1.38166292      0.20213008
  H     -0.83129787      4.18699782      0.40217662
  O     -1.90955660      0.14003616     -3.43995606
  H      0.81952402     -0.56487987      0.59477732
  H     -6.00448270     -1.76435470     -2.84553962
  O     -3.49716997      2.47347301     -3.18279520
  H     -1.78770253     -0.82439948     -1.90672711
  H     -4.90136187     -2.41291354     -1.99758531
  O      0.09421443      2.78277565      1.12010671
  H     -2.65474077     -1.51144796     -0.80574345
  H     -1.42014079      0.53622172      3.20232228
  O      0.27718817      1.59389724     -2.38800245
  H     -4.22996377     -1.85535577     -4.19057564
  H     -1.97008921      1.29337531      1.98052672
  O     -1.10673642     -1.29303884      3.26759873
  H     -3.66313865     -2.06112058     -5.61587018
  H     -2.92074851     -1.61878289      2.72586000
  O     -4.41793567      2.61444677     -0.59020378
  H     -4.14002378     -2.01648717      0.63451303
  H     -4.34597568     -1.01736513      2.59072260
  O      1.72564082      0.92014351     -0.20252514
  H     -4.89233599     -1.06976822     -0.31935543
  H     -1.97454382      0.44029313     -0.22409683
  O     -1.48151077      4.74486280     -0.04758357
  H     -2.41265828     -0.43817000     -4.02718895
  H     -1.35951427      1.82528837      0.16065873
  O     -5.26197110     -2.37937851     -2.89385862
  H     -2.45022308      0.93182222     -3.31120950
  H     -3.03038099      4.81502939      0.72685524
  O     -1.64402259      1.41992328      2.88565911
  H     -3.88511185      2.57567967     -2.30205236
  H     -4.20253103      5.67558915      1.25405367
  O     -3.80122906     -1.78233103      2.36887198
  H     -4.16879323      2.05064614     -3.73754412
  H     -6.81582949      0.02003820     -1.66857967
  O     -2.17302511      1.30741062      0.15157694
  H      0.77086962      2.18032225      0.78640783
  H     -8.07403237     -0.20169445     -2.53576834
  O     -3.92367642      4.77479870      1.11487668
  H     -0.30108132      2.37823964      1.90415393
  H     -3.23582303      2.33077026      3.17451831
  O     -7.12055112     -0.22721039     -2.55746786
  H     -0.10344821      2.47194757     -2.50797820
  H     -4.07414900      3.41791300      2.46169989
  O     -4.13726695      2.66036247      3.05458329
  H     -0.33043166      0.98898842     -2.83214070
  H     -2.06288161      3.50207651     -3.01030588
  O     -1.24528565      3.98466930     -2.79979606
  H     -0.59050612     -1.32029882      2.44104688
  H     -1.09436766      4.59143258     -3.52085706
          69
 Energy    -250.65080910381806     
  O     13.02031724     13.27070727    -14.88644162
  H     12.45040715     13.95949104    -14.55487747
  H     14.14938236      6.25693289    -15.17583073
  O     17.17156534      6.27515623    -14.02434313
  H     13.51960868     12.92848074    -14.12455744
  H     16.65830741      9.93340266    -14.36168920
  O     18.38087875     10.31293310    -11.43841415
  H     16.31806664      5.84802995    -13.88466825
  H     17.98170007     10.68972078    -14.65986701
  O     16.78685085     13.67620829    -13.58908608
  H     17.12998665      6.68205212    -14.89889228
  H     16.04737450      8.76240259    -19.80167153
  O     14.51987497      5.19575747    -13.70781849
  H     18.43010175      9.36687386    -11.62426140
  H     14.97610738      8.77000510    -18.68397463
  O     16.14571732     10.41861656     -9.58232668
  H     17.65081708     10.43765092    -10.82146065
  H     14.52287587      9.32659137    -13.63082829
  O     13.56406591      6.70359221    -11.68271714
  H     16.51276445     13.81666368    -14.50791808
  H     15.49862731      9.04651398    -12.44783528
  O     14.58410142     12.27158625    -12.86403304
  H     17.58485753     13.13698029    -13.61599116
  H     14.12480335     11.02494837    -16.66768925
  O     13.35063658      8.58933520    -18.04116888
  H     14.30352514      4.27991917    -13.55493201
  H     12.96772548     11.77577396    -15.97694147
  O     15.85819182      7.99315728    -10.89924320
  H     14.13242305      5.70314125    -12.97191387
  H     18.00404198      7.05924228    -12.72401249
  O     16.73003942      7.76821798    -16.38684628
  H     15.25773385     10.68707578     -9.87921909
  H     19.12095834      6.92738797    -11.66464817
  O     14.08624504      6.97658856    -15.81617110
  H     16.24409456     10.74179331     -8.69072961
  H     12.20986098      9.11036590    -12.79750426
  O     17.31726254     10.11097661    -15.05081738
  H     12.91644359      7.41592229    -11.66509523
  H     11.01854708      9.14852232    -11.81510840
  O     15.92348811      8.90427197    -18.86731243
  H     14.36923221      7.07880554    -11.29528186
  H     19.90291031     12.07439852    -13.57114210
  O     15.35441687      9.60075687    -13.22251348
  H     14.87328634     11.35658708    -12.98152201
  H     18.80307718     11.32869988    -12.77588962
  O     13.19618669     10.94079166    -16.40474518
  H     15.36530359     12.82926949    -13.00687505
  H     15.98056719     10.53313768    -17.85677799
  O     18.39031319      7.47804428    -11.93377574
  H     13.09104996      9.40153959    -17.58752687
  H     16.41424320     10.88149161    -16.41225675
  O     11.97063720      9.09366712    -11.85501842
  H     13.42882155      7.91409149    -17.35413768
  H     13.89882087     11.63347984    -11.27924292
  O     18.98449120     11.82049658    -13.59750537
  H     16.74681077      7.71260525    -11.15353400
  H     13.08827265     10.37618950    -10.89889999
  O     15.87329015     11.18596484    -17.15585998
  H     15.95338204      8.74869054    -10.30443486
  H     14.70275771     13.78224149    -15.82762438
  O     13.68623106     11.04287724    -10.54198350
  H     16.59401014      8.03145437    -17.30473823
  H     15.76504011     13.01259272    -16.62455832
  O     15.61799845     13.82737945    -16.12717507
  H     17.03385905      8.56325955    -15.92291587
  H     12.92817124      9.75454154    -15.08601423
  O     12.90814616      9.04482782    -14.42874682
  H     14.99420894      7.25996956    -15.99715514
  H     13.21869872      8.24513589    -14.87587965
          69
 Energy    -250.65052293463395     
  O     10.80422859     10.50448668    -11.83598257
  H     11.54188648     10.91496575    -12.30343290
  H     16.62758371      7.42273742    -16.87850315
  O     13.75080941      7.22206553    -14.99378904
  H     10.30075733     10.02110914    -12.50340194
  H     15.27434640     13.01721235    -15.49348847
  O     17.48568544     10.82940849    -11.83106255
  H     14.05622161      7.15204451    -15.90537938
  H     15.88863512     11.67565751    -15.03650312
  O     19.28901714      9.09415481    -15.56802730
  H     14.42249029      7.75561306    -14.53705128
  H     16.27031799      9.25585464    -14.14901005
  O     11.91095328      9.29045688    -15.16514842
  H     17.93176505     10.06259739    -11.45041684
  H     15.41870898      9.01789462    -12.89197697
  O     16.34034057      6.89072975    -10.36731903
  H     16.55127129     10.72163511    -11.60267072
  H     10.99579954      9.37960619    -10.50990233
  O     13.22078118      6.00444648    -12.55615553
  H     18.67896296      8.44833402    -15.96911568
  H     10.60434741      8.90939545     -9.08770602
  O     14.79198350     10.12569592    -11.56341993
  H     20.02693381      9.18238477    -16.16546451
  H     19.29139293      7.79342350    -12.41449047
  O     15.68643521      4.69112584    -12.13482777
  H     12.46246614      8.49899720    -15.08166770
  H     19.57109024      8.03787520    -13.92281857
  O     17.30319447     10.76158796    -14.54199851
  H     11.04946854      9.07925515    -14.78581653
  H     10.67393312      7.30688235    -11.19445499
  O     14.88135942      7.69489261    -17.54044151
  H     16.19578174      6.07754593    -10.86397796
  H     11.41060888      6.39527091    -12.20155459
  O     17.48834512      7.27779322    -16.46832917
  H     15.46068119      7.26145510    -10.22165404
  H     18.04454032      6.44804937    -13.61836465
  O     15.05379895     12.11580969    -15.27182824
  H     13.97538629      5.42773371    -12.38260097
  H     16.61832468      7.02950015    -13.73498839
  O     15.71321891      8.60099081    -13.71117626
  H     13.33787461      6.34293291    -13.45526802
  H     17.77109406      7.87521634    -10.63037443
  O     11.08567070      8.65142019     -9.86885025
  H     14.13381357     10.53142332    -12.14449040
  H     19.07460278      8.38454567     -9.97982881
  O     19.53650673      7.35662352    -13.24124658
  H     14.36340336      9.40073217    -11.08957084
  H     14.30496918     10.86384081    -16.51183162
  O     10.56049485      6.81575270    -12.01783006
  H     15.98414064      3.78631647    -12.09115171
  H     13.06509957      9.95277110    -16.49762346
  O     17.13178913      6.21521877    -13.84730233
  H     16.23117691      5.13545179    -12.80886915
  H     13.50899511      7.23047276    -11.20470877
  O     18.56501272      8.41628021    -10.78597343
  H     18.05808520     10.30241887    -14.92900609
  H     12.82482317      8.09690897    -10.11626751
  O     13.86614668     10.15713758    -16.99934092
  H     17.46485259     10.86418541    -13.58900738
  H     13.69950990     11.63851181    -14.01173750
  O     13.68386067      7.83889596    -10.47262163
  H     14.57596933      8.61027017    -17.40723438
  H     12.64564795     10.51671709    -14.04034486
  O     13.04928330     11.18253812    -13.46409596
  H     14.63891549      7.45286159    -18.43051075
  H      8.68353906      8.52572650    -13.92640626
  O      9.59864468      8.69333180    -13.71906252
  H     17.33278540      6.72853325    -15.68928926
  H      9.90040487      7.95849235    -13.15487352
          69
 Energy    -250.64858819318403     
  O     14.77772531      9.43460548    -10.36358863
  H     14.37827091      9.98214011    -11.05245646
  H     17.14168490      5.10551626    -13.28537854
  O     12.60615022     10.33020619    -15.89641805
  H     14.10051163      8.82663751    -10.03127399
  H     12.65322130      7.13044480    -10.39721536
  O     16.43150272     11.26715269    -13.47733350
  H     12.55969809      9.58260587    -15.28744596
  H     13.58895951      6.86487818     -9.19793376
  O     14.40724600      4.68136662    -11.30704615
  H     12.45948294     11.11950362    -15.35974626
  H     19.00430426      7.91389116    -14.17734403
  O     17.29139580      6.94630516     -8.85638065
  H     15.56833046     11.02006448    -13.12128373
  H     18.24623025      8.45003895    -15.41336619
  O     15.14068196     12.98727626    -15.28832377
  H     17.08222653     11.17935993    -12.76655289
  H     13.53723258     12.88951518    -14.59608577
  O     16.21562797      7.78301909    -12.15753482
  H     14.57448923      4.91165999    -10.38326146
  H     12.18362124     13.46265820    -14.10689829
  O     13.80705697     10.63798179    -12.61418339
  H     15.27644167      4.65030948    -11.72366890
  H     12.61270255      7.64842123    -13.27545977
  O     18.96334169      8.17178942    -12.32683522
  H     17.33483762      7.90946090     -8.89532143
  H     13.71450814      7.97372012    -14.31014823
  O     18.25417147     10.75159910    -11.47830945
  H     17.99786755      6.61001081     -9.41928840
  H     14.69072858     10.98652312    -18.21349075
  O     17.29748657      5.46171795    -15.11261227
  H     15.13938467     12.41974377    -16.06876971
  H     14.05427869     10.65361882    -16.84358780
  O     17.00046392      5.15716022    -12.33150907
  H     15.72671826     12.55437943    -14.65127627
  H     11.54951445      5.68045046    -12.14373952
  O     13.00469331      7.52698988     -9.59085582
  H     15.80299382      7.80103354    -13.03029284
  H     13.07090682      5.66128769    -11.88053328
  O     18.78464695      7.71247729    -15.09727502
  H     15.68788256      8.31181764    -11.54919277
  H     14.92204865      5.16207458     -7.85635339
  O     12.67528928     12.65272934    -14.20761194
  H     13.34764619     11.38256354    -13.02023782
  H     15.77325101      6.10420586     -8.73620751
  O     12.91512857      8.32758739    -13.89018745
  H     13.46697982      9.83533437    -13.03585623
  H     19.77976672      5.10727273    -10.57885000
  O     14.88240679     10.91890799    -17.28203322
  H     19.27103346      7.44654705    -11.77261695
  H     18.44531160      5.43708738    -11.28777605
  O     12.31612746      6.24483834    -12.07592870
  H     17.99439991      8.14099212    -12.27156601
  H     15.86159182      6.70834393    -14.98371563
  O     14.92392207      5.63104249     -8.68667738
  H     17.93703976     10.52312423    -10.59676963
  H     15.83237051      8.24861331    -15.17940443
  O     19.14923087      5.80712370    -10.72826322
  H     18.72042406      9.96383544    -11.78827977
  H     16.98183271     10.34419788     -8.25265945
  O     15.33888394      7.49973415    -14.81248064
  H     17.50915302      4.90515036    -15.85668195
  H     16.22911297      9.72768330     -9.45564162
  O     17.09991684      9.79487077     -9.02390307
  H     17.90414571      6.22508538    -15.14709311
  H     16.25177893     10.07040197    -16.35238262
  O     16.81231515      9.66001864    -15.68228076
  H     16.67044183      6.05503044    -12.15855410
  H     16.77187549     10.23145704    -14.90005110
          69
 Energy    -250.64817030132124     
  O     16.01030734      3.64976856     -9.21249441
  H     15.66870255      4.28297191     -8.56995077
  H     12.99924103      6.75959474    -15.45736927
  O     18.50129370      8.78478784    -12.54258484
  H     15.23898489      3.36177984     -9.71902667
  H     14.42587500      5.01552183    -11.19090721
  O     13.14673350      7.70337946    -12.49584813
  H     18.30855435      8.24250177    -13.31679466
  H     15.54020960      5.58045093    -12.10270100
  O     14.00670176      8.05438559    -16.44649468
  H     18.62114224      8.16977205    -11.80354890
  H     17.40896306      3.96132563    -10.23731351
  O     16.55542802     10.62275148    -12.35834208
  H     12.74604790      8.18444715    -11.76393883
  H     18.81196141      3.47591824    -10.66532027
  O     15.98944134      7.31187700     -9.43211015
  H     13.72974173      7.03306190    -12.10307345
  H     11.80520642      9.68379534     -9.86820570
  O     18.56564962      6.96022968    -10.47399985
  H     14.39643575      8.48733663    -15.66816022
  H     13.29773824      9.33753581    -10.09555454
  O     11.30576008      4.23360155    -13.26689552
  H     13.75596690      8.74911113    -17.05016186
  H     11.99462144      5.80478854     -9.47926213
  O     16.02791096      6.01487007    -16.72663119
  H     17.30507479      9.99828824    -12.37339845
  H     12.43508822      7.27425888     -9.27764235
  O     14.74419603      5.63919965     -7.55991945
  H     16.92751763     11.49723397    -12.43196912
  H     15.52958726      9.65055126    -13.54846708
  O     17.26774388      7.24970689    -14.57146209
  H     15.60632705      6.81674334    -10.17161797
  H     14.39097414      8.59913017    -13.47294875
  O     12.73396477      6.18095951    -14.73355053
  H     15.69105752      6.85386863     -8.63801852
  H     15.49178160     10.13373280    -10.85628019
  O     14.82745967      5.83562293    -11.50191857
  H     17.74600872      7.16023933    -10.00133822
  H     15.40260185      8.99252473     -9.81656417
  O     18.14649389      4.13396457    -10.84885713
  H     18.56558029      6.00295920    -10.58001654
  H     10.33353539      4.13038062    -10.28074866
  O     12.39126492      8.97789762    -10.12601919
  H     11.64428932      4.91255617    -13.86444076
  H     11.15137269      4.49036050    -11.53978775
  O     12.49972405      6.38845236     -8.90077623
  H     11.88607340      3.47133688    -13.38401573
  H     17.14636834      5.72983951    -13.57998990
  O     15.05875394      8.98089832    -14.06045268
  H     15.62104621      5.25045483    -16.30221126
  H     17.38896374      4.63611498    -12.46494245
  O     14.95345344      9.78902827    -10.13537143
  H     15.32778854      6.67562027    -16.80217418
  H     12.83267221      3.61804230    -10.59957398
  O     11.16616782      4.49839928    -10.56652545
  H     13.91189056      5.88186450     -8.00496586
  H     13.67058285      2.87661717    -11.67149799
  O     16.80036989      4.92142338    -13.17469946
  H     14.56879633      5.65392481     -6.62304689
  H     13.91635388      2.86769509    -13.99729713
  O     13.72612445      3.32310744    -10.81673065
  H     16.52959910      7.83474677    -14.35315700
  H     13.44971666      1.40420640    -13.81834422
  O     13.39828076      2.27266977    -13.42807130
  H     17.02835163      6.82790681    -15.40893094
  H     15.48139241      4.39625936    -14.27411718
  O     14.73057225      4.18119974    -14.84881938
  H     12.77415711      6.72586026    -13.93215858
  H     14.07884964      4.89314810    -14.77181703
          69
 Energy    -250.64798668213717     
  O      4.03739953      1.19825041     -0.38332678
  H      3.46708858      0.41567801     -0.44587161
  H     -1.06516435      5.14819668     -1.92926555
  O     -1.03840608      1.63590746     -2.30888493
  H      3.95815330      1.63992550     -1.23705398
  H      0.97719453     -2.90163898     -3.03187518
  O     -0.01666062      0.45839201      0.02205289
  H     -1.08593267      2.57620692     -2.09150173
  H     -0.08079406     -2.10413290     -2.23844039
  O     -1.75096560     -2.02141309     -1.71213488
  H     -1.92680820      1.26071824     -2.25609157
  H      1.76638891     -2.20957184      2.48990376
  O     -3.51555638      1.14590084      0.69457083
  H     -0.37340051      0.86262598     -0.77881633
  H      2.06788786     -0.72582859      2.78222424
  O     -3.43924029      0.29639593     -1.85094921
  H      0.84512126      0.08083617     -0.19606829
  H     -3.75019022     -0.72119550      3.55525165
  O      0.32140615      2.36419914      1.95389557
  H     -1.71529161     -2.09528889     -0.74861974
  H     -2.21388521     -0.58309938      3.55646806
  O      4.79615893      0.07913933      2.12304364
  H     -2.35780067     -1.29145760     -1.88329959
  H     -1.72691929      3.84842096      0.14056958
  O      3.96932889      2.07835190      3.76842219
  H     -3.38468871      0.66147519      1.51538051
  H     -1.27278424      3.21285021      1.46191188
  O      1.47984254      0.69860471      3.80440747
  H     -3.07164397      2.00050929      0.80659101
  H      3.31105683      2.98519523      2.18401380
  O      3.24275361      2.37268810     -2.81474887
  H     -4.31633171      0.36392028     -2.21763059
  H      3.31761563      2.45923545      0.73412138
  O     -0.87986009      4.30953370     -1.51540132
  H     -3.50289334      0.57560445     -0.91806457
  H     -0.36548395     -2.73728937      2.08379833
  O      0.86580325     -2.14599763     -2.46089347
  H      0.13386855      1.69532607      1.27650191
  H     -0.04822967     -4.10125204      2.74369141
  O      2.38111384     -1.49506851      2.28392842
  H      1.17802555      2.74719192      1.72167624
  H      1.21883555     -0.34881961     -3.16840959
  O     -3.00526579     -0.52380005      2.99309070
  H      4.13302277     -0.62016809      2.17899795
  H      0.44111079      0.97929560     -3.12823812
  O     -2.05971583      3.47061130      0.96286684
  H      4.73877608      0.43334319      1.22547767
  H     -0.38098560     -1.79601513      4.03454659
  O      2.93224051      3.13638630      1.31052202
  H      4.36435204      1.36340508      3.23697146
  H      0.03574721     -0.35137144      4.35829204
  O      0.19460921     -3.17927580      2.74577572
  H      4.62989503      2.35087304      4.39932242
  H      2.32719912     -1.30389023      0.47632440
  O      1.28734834      0.58605439     -3.38720360
  H      0.97373689      1.28965034      3.22603829
  H      1.91187121     -1.53117111     -1.04113516
  O     -0.70864876     -0.96648277      4.40078387
  H      2.30201168      1.16254462      3.99927999
  H      2.18788931      3.97524351     -0.23194611
  O      2.34643420     -0.93557598     -0.41870783
  H      2.56703224      1.71183723     -3.05136439
  H      2.28555183      3.59642676     -1.72405572
  O      1.78503283      4.13052936     -1.09474626
  H      3.68982600      2.60946392     -3.62281023
  H     -2.06673572     -1.39157850      1.64611254
  O     -1.38470949     -1.71935127      1.04616733
  H      0.07905237      4.28864659     -1.34305349
  H     -0.92235429     -0.93688294      0.70673833
          69
 Energy    -250.64758217771842     
  O     12.95315565      5.33504162    -14.98626075
  H     13.23459397      4.68854545    -14.32609344
  H     19.64355238      8.94322039    -11.89528697
  O     16.67199802      6.70081335    -11.46074477
  H     12.57703621      6.06806226    -14.48194914
  H     16.46766928     11.81600373    -14.66652489
  O     15.96458902     10.90712558    -11.22021501
  H     16.59589376      7.49264549    -12.01552123
  H     17.80674037     11.06643373    -14.81853450
  O     18.37693003      9.32301452    -15.02927736
  H     17.12777633      6.97060784    -10.65541733
  H     15.57757683      8.82363241    -13.63605349
  O     11.63956905      9.67968372    -11.61795554
  H     16.76223768     11.44173423    -11.29648247
  H     17.10264415      9.05956460    -13.69173443
  O     13.95809426      6.08867037    -11.29197721
  H     16.09216019     10.17145587    -11.83823941
  H     15.54566044      9.90139766     -9.71581716
  O     14.62267877     11.43681569    -15.10085312
  H     18.16248003      8.67755992    -15.71441776
  H     16.22991813      8.73660455     -8.99904533
  O     19.04574471      5.88251819    -14.59432838
  H     19.13145452      8.97257498    -14.53745842
  H     13.77798802      3.04680307    -12.35692627
  O     12.97205027      7.99196208     -9.65383555
  H     12.28980449     10.34796417    -11.89871505
  H     13.96548902      4.57322197    -12.19714628
  O     20.27194886      8.01232900    -13.43335695
  H     10.83294649     10.14810218    -11.42080525
  H     18.86967069     12.86565445    -11.82855125
  O     16.62833873      4.90997864    -13.52334181
  H     13.53995436      6.65341793    -10.62324982
  H     18.08878179     12.03908155    -12.87667755
  O     19.30084821      9.41383543    -11.12621592
  H     14.90045063      6.30316961    -11.27970299
  H     18.55863925      7.67764327     -8.59258572
  O     17.41156868     11.88249818    -14.48076925
  H     14.20014259     11.79879597    -15.87642644
  H     18.46580057      8.48408640     -9.90950534
  O     16.37182671      8.87340364    -13.08960037
  H     14.48428179     10.47523469    -15.13305639
  H     14.33406686     11.36953448    -11.91505412
  O     15.39280655      9.20930179     -9.05858240
  H     18.30958554      5.39113721    -14.20699961
  H     13.81821501     11.56844591    -13.34850184
  O     14.08463766      3.82705894    -12.81157348
  H     18.71657749      6.22817995    -15.43249323
  H     14.53452787      5.91280657    -15.63707793
  O     18.44223339     12.02513387    -11.96919228
  H     13.78342333      8.43553004     -9.36066051
  H     15.90191128      5.85391360    -14.93097504
  O     17.96830814      7.90277411     -9.30630378
  H     12.48868222      8.62774604    -10.19209088
  H     12.06357409      8.24822289    -12.71073065
  O     13.52457129     11.44335377    -12.43980634
  H     19.86484091      7.18836404    -13.75506427
  H     13.01665553      7.03969706    -12.57066308
  O     15.43550762      6.26667283    -15.67184047
  H     21.21573110      7.89936779    -13.51661438
  H     14.71645889      7.93450199    -15.30560364
  O     12.49742198      7.54563855    -13.21183134
  H     16.72878027      5.49119155    -12.75273827
  H     13.58195654      8.38456360    -14.35232612
  O     14.29202376      8.71341791    -14.92397827
  H     15.86154500      4.35443673    -13.34081726
  H     16.86411961      6.86794662    -16.51436708
  O     17.72884469      7.21043729    -16.79888070
  H     19.06692319     10.30304316    -11.41797504
  H     17.78706037      7.06290775    -17.73940098
          69
 Energy    -250.64720471250078     
  O     12.45454662     11.05789598    -13.84213895
  H     11.62132810     10.59387864    -13.70740396
  H     15.90629211      6.30711037    -16.61366047
  O     14.48544504      6.38183596    -17.85327707
  H     12.99598740     10.84028416    -13.07069189
  H     14.49634114      7.23024080    -10.07663672
  O     13.67349561      5.41527869    -12.46709930
  H     14.60686794      6.15548661    -18.77326032
  H     14.67009326      6.16074292    -11.17352024
  O     17.68584844      5.48201254    -10.75382469
  H     13.92506211      7.17274542    -17.83603516
  H     14.33171692      8.07262422    -14.22896617
  O     13.35453952      4.29417600    -16.16144308
  H     12.77129615      5.11383948    -12.31104489
  H     13.45948722      8.51064679    -13.04528392
  O     10.15046002      9.28623954    -13.50980382
  H     13.59943846      6.25055229    -12.95643776
  H     14.79513536      9.92990686    -15.65105326
  O     12.86568038      8.65843810    -17.77659533
  H     16.82472857      5.85818633    -10.52820425
  H     13.46303904     10.65735238    -15.32484800
  O     19.07866713      7.61020352    -12.10638927
  H     18.22978824      6.21926506    -11.05725632
  H     10.88232517      4.97784711    -13.25713234
  O     11.40138067      7.84915140    -15.47840609
  H     13.68933210      4.96276683    -16.76914660
  H     10.35979989      4.24244231    -11.99832516
  O     17.78368396      3.67933240    -12.78137253
  H     14.07773812      4.11110499    -15.54825360
  H     10.67552761      8.22321519    -12.01813536
  O     18.79198339      5.94243179    -14.23174155
  H      9.25241129      9.53952303    -13.71001321
  H     10.90932315      6.73943254    -11.63516873
  O     16.48347974      6.25003114    -15.84318153
  H     10.47731753      8.78738523    -14.27754683
  H     14.82050956      4.58654004    -13.56458279
  O     15.16110332      6.71545641    -10.54920467
  H     12.50708273      9.15174123    -18.50919367
  H     16.21228902      3.92224255    -13.74860839
  O     13.53512951      7.83887558    -13.73445352
  H     13.29824199      9.30608846    -17.18686418
  H     11.77005131      4.72264426    -15.38274481
  O     14.01246129     10.33012646    -16.05176066
  H     19.97367828      7.93296326    -12.04870595
  H     10.98747017      6.03849878    -15.22203240
  O     10.91379575      4.96395704    -12.28196154
  H     19.02616759      7.06744997    -12.91381105
  H     12.25694909      8.05439014    -10.19879325
  O     11.01044549      7.64660858    -11.32119789
  H     12.16257795      7.81938438    -14.87548843
  H     12.64713249      8.56264362     -8.78899371
  O     15.43941010      4.24543836    -14.22705875
  H     11.75108261      8.11468983    -16.33537685
  H     16.25245955      7.91022748    -15.16164889
  O     10.99284845      5.11125192    -14.95488184
  H     18.21436512      2.87744244    -12.49802387
  H     16.23552957      8.76942183    -13.85737838
  O     13.00817949      8.32286400     -9.63797058
  H     17.72834971      4.26032176    -12.00143081
  H     14.90404000      9.69062242    -11.84262342
  O     15.94417524      8.74307730    -14.77877687
  H     18.55712890      5.09612817    -13.83033507
  H     13.64034071      9.48823041    -10.96653615
  O     13.95920777      9.88592036    -11.78626683
  H     18.13314233      6.09786669    -14.92010430
  H     17.44500036      8.47428519    -12.01552675
  O     16.50643177      8.69960359    -12.03221438
  H     16.11101893      5.55809906    -15.27559594
  H     16.05299321      7.99294920    -11.55007910
          69
 Energy    -250.64567059037583     
  O     -3.25062625      0.50595121      3.89810381
  H     -3.02210004      1.44378827      3.84296325
  H     -6.13466272     -3.34719456      3.42843423
  O     -0.02792975      4.00688604      0.81299792
  H     -2.50293833      0.01080190      3.53597785
  H     -3.96218235      1.37661698      0.07032190
  O     -1.25566446     -0.81215314      2.54882764
  H     -0.99600285      4.03801682      0.73269125
  H     -4.00477510      1.44633698     -1.48588271
  O     -4.86278599     -1.68662756     -1.81867716
  H      0.30313398      4.81242404      0.42352007
  H     -8.45889367      3.68202471      0.47052550
  O     -2.42748411     -2.71692714     -0.79459316
  H     -1.32746858     -0.55842786      1.61690768
  H     -7.51691288      2.50379916      0.13988769
  O     -4.73362550      0.90301515      1.56931645
  H     -0.40057255     -0.48114854      2.84938211
  H      0.61049289      2.24084484      0.46779362
  O     -6.73346796      2.10899966      3.11050769
  H     -4.01881108     -2.07766789     -1.56482773
  H      0.16467624      0.80096915      0.10841700
  O     -7.27834970      1.06959359     -0.80538104
  H     -5.39339044     -1.65137124     -1.01008551
  H     -5.10796514      4.70327099      4.93098174
  O     -2.66699742      3.19539810      3.43834930
  H     -2.70273802     -2.84086731      0.13251112
  H     -4.21162372      3.86293290      3.99276952
  O     -5.20118550      0.80945972     -2.75313670
  H     -1.97673382     -3.51522824     -1.05651562
  H     -3.61163881      4.33208691      0.82535494
  O     -6.24677745     -1.19635260      0.56405293
  H     -4.14965054      0.64104390      2.29183014
  H     -2.94572063      3.13191968      0.10290891
  O     -5.73235991     -2.63020271      2.94535167
  H     -5.46004992      1.37849770      1.99292741
  H     -5.29609499      4.77863226      2.28082062
  O     -3.44975706      1.62261449     -0.71767263
  H     -6.24937795      2.81815424      3.55540585
  H     -6.04970192      4.34909898      1.01151729
  O     -7.63166550      3.27782196      0.71937923
  H     -7.20723595      2.51691885      2.37378129
  H     -6.34514455      0.42820363      4.04720275
  O      0.89719445      1.31920798      0.46955869
  H     -7.14836852      0.22826989     -0.34955015
  H     -4.93693764     -0.07013068      4.41247949
  O     -5.11810940      4.18838870      4.12834062
  H     -6.65654222      1.06577059     -1.54319057
  H      0.45503798      2.23873539      3.51827865
  O     -2.76657216      3.87832647      0.69214712
  H     -2.74216718      3.35701396      2.48813250
  H      0.16178571      3.48667347      2.66501420
  O     -5.26839042      4.82550243      1.31753096
  H     -1.72021663      3.20648133      3.64189547
  H      1.17956360      0.77826353      2.10032022
  O     -5.86891086     -0.33366287      4.39826631
  H     -5.23798430      0.84827668     -3.70448557
  H      2.06944491      0.22983368      3.24354662
  O      0.05261702      3.11492758      3.55010214
  H     -5.06403622     -0.12607992     -2.51156452
  H     -2.47545130     -2.26970051      2.26428345
  O      1.18211556      0.51183151      3.03856494
  H     -6.25249314     -1.83257088      1.28740988
  H     -3.94769227     -2.77988063      2.25048025
  O     -3.09001101     -2.86664653      1.81895936
  H     -5.67145981     -0.48022828      0.87422652
  H     -2.08736066      0.46480721     -0.43338039
  O     -1.39681521     -0.16437045     -0.18291825
  H     -5.82389765     -1.83571717      3.50060279
  H     -1.66895445     -1.02974027     -0.51224604
          69
 Energy    -250.64492238304163     
  O     -2.57078182      0.75038557      2.71714477
  H     -2.60252565      1.18945100      3.58126572
  H     -0.59268979     -3.51144683      3.87166080
  O     -2.40442213      2.07505366      5.12662406
  H     -2.85952950     -0.16317147      2.83641945
  H     -6.00920122     -1.86385383      5.29149333
  O      1.48849264     -1.48471038      1.57007072
  H     -1.68879305      1.73888194      5.68265023
  H     -4.87326082     -0.86318753      5.61487255
  O      3.63554942     -0.04228652      2.69739121
  H     -2.07631674      2.85487712      4.65478132
  H     -2.53733724     -0.78100654      9.22594418
  O     -0.10656869     -0.93572104     -0.68043557
  H      1.03422100     -0.83178475      2.12764377
  H     -2.53816746     -1.37771945      7.79875790
  O     -3.15297226     -1.90326664      3.17921810
  H      1.13788451     -1.34603256      0.68177020
  H     -0.07392008      0.10908641      6.36436461
  O     -1.75551551     -2.52910120      0.80021601
  H      3.05495327     -0.67082420      2.24954552
  H     -1.11367271      0.45879288      7.44596351
  O     -1.98068975      2.71335616      0.90531268
  H      3.48610314      0.80096108      2.25169874
  H     -2.21165934     -3.00322827      6.07444769
  O     -1.32723883      3.96616183      3.45106910
  H     -0.77924314     -1.44136172     -0.19075295
  H     -3.67128590     -2.54291676      6.25407631
  O      1.21454123      2.86633301      3.58104639
  H     -0.17000249     -1.21245286     -1.59102515
  H     -3.79021332      0.27465258      7.19550656
  O      2.86187490      2.34936304      1.35850853
  H     -2.41894289     -2.27895227      3.68625162
  H     -3.79612517      1.20135550      5.96959935
  O     -1.02704287     -3.06312993      4.60672576
  H     -3.91388505     -1.88705097      3.77361937
  H     -0.78975695      0.43647547      2.93851190
  O     -5.07115701     -1.72264967      5.19956725
  H     -1.13345871     -3.13991307      1.21422233
  H      0.51425661      1.21749085      3.26981044
  O     -2.44265014     -0.55138386      8.30540876
  H     -2.39126387     -2.30820677      1.49232603
  H      0.89087471     -4.62837514      2.05257250
  O     -0.49563713      0.85292394      6.81774754
  H     -2.26639807      1.98334056      1.48143289
  H      0.83443978     -3.08287686      2.06790884
  O     -2.86160509     -2.74333230      6.73977675
  H     -2.73860605      2.95776879      0.37968426
  H      2.54937517      1.29812369      5.95807757
  O     -4.33480555      0.55841081      6.45107211
  H     -1.57696484      3.74754647      2.54679026
  H      1.17905303      1.78395760      6.48834102
  O      0.14726193      0.33244404      3.14115687
  H     -0.39428202      3.71460903      3.52281072
  H      3.57521630     -0.20216802      4.43762640
  O      0.32566710     -3.88875413      2.26072776
  H      1.91264542      2.82873069      2.91782788
  H      4.29846851     -0.58753732      5.74921239
  O      2.00004788      2.08273775      6.07616642
  H      1.59178169      2.69817397      4.45809616
  H      0.32344695      0.87556352     -0.25152066
  O      3.45511176     -0.31609803      5.39735551
  H      2.05556238      2.13988811      0.85282299
  H     -0.27255911      2.17965946      0.30507659
  O      0.55663768      1.76757686      0.03103200
  H      3.37393991      2.94755649      0.82076584
  H      1.72897667     -1.01372948      5.45858149
  O      0.77995259     -1.13693951      5.33715812
  H     -0.37471727     -2.43836741      4.95854461
  H      0.53780322     -0.61040609      4.55712569
          69
 Energy    -250.64377307287151     
  O     -2.56050147     -0.95170165     -0.06223696
  H     -1.78311063     -1.16858284     -0.59440829
  H      1.10824110     -0.37084945      2.37064901
  O     -2.08068575      1.67636149      0.87260564
  H     -3.26158122     -0.71385459     -0.68210968
  H     -2.78087736     -2.22744341      1.23959403
  O     -1.26321368     -1.28256931      3.76374836
  H     -2.72083616      2.09930266      0.28094769
  H     -2.44394447     -2.32372690      2.73589049
  O      3.39842328     -2.35617927      1.18520977
  H     -2.16581783      0.72786393      0.71397694
  H      2.44643010     -0.83378964      4.04644023
  O     -0.28605069     -1.50512825     -1.65037818
  H     -1.05920270     -0.59059998      4.40203931
  H      1.42185490      0.28344318      4.46417097
  O     -1.90519911      0.02158510     -3.40838552
  H     -0.78266827     -1.04134147      2.95575976
  H      0.63428390     -2.30756217      0.92299411
  O     -4.28719668     -0.07284751     -2.12024807
  H      3.32519342     -2.47993980      2.13882355
  H      0.25701276     -3.80400153      0.79739806
  O     -1.21638838      2.75869786     -2.82777539
  H      2.59978587     -2.74843891      0.80766936
  H     -1.34203281     -5.68888526      1.67879410
  O      0.06692410      2.87923343     -0.38889218
  H      0.05554744     -2.25105100     -1.14138867
  H     -1.65188024     -4.18013076      1.83707641
  O      3.99922867      0.06444227      0.12114651
  H      0.32501997     -0.77533964     -1.46351163
  H     -1.28139289      2.22688598      2.46447539
  O      1.36520220      0.46888611     -0.74296739
  H     -1.29807646     -0.57221418     -2.94670512
  H     -0.01571552      3.05735251      2.77841593
  O      0.46796047     -0.63855078      1.69802625
  H     -1.57499054      0.91924084     -3.27691826
  H      3.42911753     -3.13116337      4.61952236
  O     -2.74796255     -2.84644060      1.98195481
  H     -4.98236124     -0.47913905     -2.63000704
  H      2.00936212     -3.02158709      4.01293103
  O      2.14278146      0.06401303      3.85973131
  H     -3.48786259     -0.07264490     -2.67865188
  H     -0.22454752     -2.80856441      4.05346201
  O      0.78902534     -3.10671688      0.39554422
  H     -0.95262095      3.44769515     -3.43314743
  H     -0.00112711     -4.13869253      3.31492909
  O     -0.93199541     -4.83699062      1.79659564
  H     -0.69036926      2.88229235     -2.02107790
  H     -0.40416057      1.51377447      4.52589475
  O     -0.71534910      2.53443907      3.18545035
  H     -0.67435526      2.44788181      0.06565632
  H     -0.41152461      1.29178544      6.05938148
  O      2.90036260     -2.62637105      4.00763641
  H      0.55822499      3.36549366      0.28459054
  H      3.60190157      1.36475887      1.44214344
  O      0.37569922     -3.56397372      3.99132172
  H      3.82526149     -0.81216022      0.50964295
  H      2.92857365      1.32598126      2.82641887
  O     -0.18367897      0.87718806      5.23233359
  H      4.81441228     -0.01044113     -0.36751242
  H     -2.93049052      2.74755607     -1.85388494
  O      3.22856998      1.92760735      2.12981280
  H      1.06122362      1.38265892     -0.67132010
  H     -4.02918457      1.73071257     -1.51802379
  O     -3.63813604      2.56405379     -1.22431980
  H      2.30739980      0.42788873     -0.53834976
  H      1.80693337      4.72851317      2.08275606
  O      1.42618514      3.89876493      1.80898051
  H      0.70816590     -0.17616396      0.88664718
  H      2.11563533      3.21915025      1.92353688
          69
 Energy    -250.64232903809193     
  O     14.03442252      1.10806837     -8.88531081
  H     13.33704609      1.22523886     -9.55006876
  H     10.97833837      3.93709905    -13.74853895
  O     12.16988903      1.62565322    -10.87290288
  H     13.76433028      0.37690123     -8.33450652
  H     10.92661653      7.67912275    -14.08518060
  O     13.60083509      5.15352777    -15.85768756
  H     11.87232412      2.51288023    -10.62204059
  H      9.72451882      8.60914063    -14.37057365
  O     17.36999081      3.68277764     -9.82927888
  H     11.52654715      1.29411192    -11.51121776
  H     12.24255926      5.70919541    -13.24412020
  O     11.37323552      4.21594169    -10.37347202
  H     13.03574066      4.43750002    -16.16839711
  H     13.09026599      4.43623484    -13.08639000
  O     10.38963545      1.01078297    -12.97950512
  H     14.16569705      4.75423544    -15.18036955
  H     14.66179518      4.30046013     -8.42494482
  O     14.37960091      1.39270396    -12.66547217
  H     16.68065431      3.66477912     -9.14000799
  H     14.78496227      2.76423415     -8.28443517
  O     14.75891933      3.97048832    -13.58450350
  H     18.20179291      3.82349273     -9.38512780
  H     13.38994725      0.94175982    -14.17737897
  O     14.43055871      7.70832561    -12.37758943
  H     10.48231933      4.57083401    -10.27521452
  H     11.87752872      0.70076764    -14.23789552
  O      8.63463271      5.45747113    -13.19756956
  H     11.68141305      4.48891537    -11.25470183
  H     13.43077958      6.44566665     -9.46085441
  O     12.56655082      7.18635085    -14.31475186
  H      9.55350278      0.55523426    -13.03872708
  H     12.81384997      5.03502138     -9.62409086
  O     10.31208171      3.45347957    -14.26187260
  H     10.26853818      1.87477351    -13.40862480
  H     16.76005977      1.97697738    -10.49600743
  O     10.00664547      7.87442982    -13.83212318
  H     15.14997994      1.22896685    -12.10239399
  H     15.62616678      1.05662014    -10.01247508
  O     12.23629128      4.82646095    -12.85478168
  H     13.63000372      1.50439486    -12.06660915
  H     12.26914444      2.12877524    -15.94186349
  O     15.25434653      3.59369658     -8.13280026
  H     15.17548327      4.44763615    -12.85303954
  H     11.84711643      2.53691324    -17.37170650
  O     12.65078296      0.84933623    -14.79394316
  H     14.72831541      3.03672786    -13.33702624
  H     16.36731533      4.84052883    -10.92453082
  O     13.62411234      5.50313369     -9.38025862
  H     15.00932028      6.97845337    -12.12546567
  H     14.93154272      5.35983560    -10.69858001
  O     16.28354040      1.16596951    -10.71097774
  H     13.97407029      7.96671104    -11.56741236
  H      8.02269345      5.46204642    -10.07886961
  O     11.92507120      2.86461216    -16.47951841
  H      9.07411142      4.73744674    -13.66741931
  H      8.71756423      5.42524256    -11.46236493
  O     15.65029446      5.32963014    -11.34592432
  H      9.03678376      6.27693981    -13.51424098
  H     12.04668290      8.06289554    -10.32809831
  O      8.87655522      5.47766410    -10.50210505
  H     12.93402850      6.57336754    -14.96929772
  H     12.94658314      8.96989020     -9.45490674
  O     12.94514973      8.16498417     -9.96608713
  H     13.27860656      7.46360598    -13.71779446
  H      9.92029897      7.06968316    -10.73365748
  O     10.47852912      7.80344928    -11.01568427
  H     10.70873937      3.30433763    -15.12953171
  H     10.29881405      7.92766964    -11.95549003
          69
 Energy    -250.64035897609108     
  O     10.66725124      8.22999332    -10.28560149
  H     10.13297093      8.70787744     -9.63794427
  H      9.47870186      8.11323141    -11.62499676
  O      9.89077749     11.60733336     -9.99040513
  H     11.38048271      8.80696851    -10.58261168
  H     15.07108630      7.02752359    -11.00990773
  O     11.50171292      9.87649850    -13.66162681
  H      9.62348204     11.44212412    -10.90122416
  H     13.58738171      6.87869755    -11.44145371
  O     12.43313068     11.52837050     -9.07824251
  H      9.39614404     10.97347339     -9.44995553
  H     15.27201401      6.13393101     -8.05111701
  O     10.58095655      5.51139708    -10.28135754
  H     10.69729167     10.35831765    -13.43705607
  H     15.38833161      4.61849895     -8.29184356
  O      8.09493992      5.13350985     -9.02735695
  H     12.05729496      9.92038947    -12.86946089
  H     10.93578509      7.12245426    -15.12865905
  O     14.13836957      3.22189694     -8.77391224
  H     11.51745316     11.63149438     -9.39777617
  H     11.19796628      8.20386750    -14.05492595
  O     16.52506847      5.87394765    -10.87496956
  H     12.75290119     12.40188125     -8.86953136
  H      9.74205419      8.87014736     -5.32185607
  O     12.42614542      5.74195451    -12.30096110
  H     10.63478852      6.47994703    -10.22203496
  H     10.73103489      8.85502119     -6.51304545
  O      9.62674362      5.79945901     -6.90376345
  H      9.69138907      5.26715924    -10.00028141
  H     13.11999219      6.51432235     -8.05559112
  O     12.81618123      9.79013571    -11.22997159
  H      8.57633066      5.36694742     -8.21192815
  H     13.84649343      7.36112977     -9.13476854
  O      8.85722340      8.05832403    -12.36893127
  H      7.55103634      4.37877172     -8.81951828
  H     12.80933994      8.69750734     -7.48544518
  O     14.20400180      7.44721986    -10.95823883
  H     14.27832643      2.28392640     -8.67612907
  H     12.32853522     10.14416185     -7.77123177
  O     15.90320992      5.43493203     -8.26816151
  H     14.20527047      3.41865443     -9.72552132
  H      7.44161179      6.76894046     -9.70398839
  O     10.94509674      7.27183815    -14.18667261
  H     17.45987634      5.94882000    -11.04369804
  H      7.58061264      7.70446100    -10.92400649
  O      9.85949086      8.54024865     -6.20866809
  H     16.41997123      5.72065064     -9.91832574
  H     12.74626238      4.30563170     -8.17987497
  O     13.72046730      7.26354911     -8.18127087
  H     11.97501024      6.21061794    -13.01310857
  H     11.59507964      5.10583591     -8.84424740
  O     12.21673276      9.39581732     -7.17476755
  H     11.74872027      5.53296998    -11.64012253
  H     13.74197190      4.46482113    -11.82209129
  O      7.24216598      7.65916759    -10.02162295
  H      9.70380856      6.71736859     -6.61579821
  H     15.21182527      4.53849908    -11.35826258
  O     12.09761950      5.00245456     -8.02201625
  H     10.52268214      5.49333290     -7.09703734
  H      8.12574679      8.87303333     -9.01996803
  O     14.43719392      3.96258452    -11.37790425
  H     13.45916602      9.07707811    -11.10810244
  H      9.00365996      9.15644161     -7.74630523
  O      8.78174255      9.47092327     -8.63075174
  H     12.87842542     10.40876240    -10.49200585
  H      8.21402144     11.21549201    -13.01681649
  O      8.99488064     10.82685287    -12.62925592
  H      9.36314194      7.65356192    -13.08206278
  H      8.82342376      9.87360997    -12.55898889
          69
 Energy    -250.63858884585679     
  O     16.82731866     10.52318894    -16.14200826
  H     17.44389368     10.99966747    -16.72609102
  H     19.37999343     12.28676036    -17.59679804
  O     18.00462037     17.08245532    -17.08571728
  H     16.54342621      9.74740189    -16.61822402
  H     18.15669058     12.11156923    -10.36483746
  O     18.52781150     15.14037570    -10.98917306
  H     17.64010437     17.86508645    -17.49137306
  H     17.74503535     13.58185713    -10.22802605
  O     14.47773170     14.16032480    -13.47734025
  H     18.15968792     17.30053371    -16.15117800
  H     19.73739504     18.37800771    -11.52626059
  O     19.51214100     11.19154741    -11.47846310
  H     17.91015882     15.30846744    -11.71412915
  H     20.80943107     18.62989169    -12.59364185
  O     15.64848328     11.94635378    -12.06300582
  H     19.28445624     14.65788159    -11.35234957
  H     20.44169892     12.79540845    -11.65212253
  O     21.09214823     13.14234580    -17.35994266
  H     14.64850959     13.68345463    -14.30991467
  H     21.00547332     13.66738942    -12.79878273
  O     21.13988076     16.52890181    -14.89430095
  H     13.54582456     14.36111216    -13.46285878
  H     16.92987794     11.33742375    -13.05793973
  O     19.68697088     17.34383141     -9.91951464
  H     19.80570497     10.31533391    -11.24134475
  H     17.44386004     10.75880749    -14.41987724
  O     21.16873901     13.79689053    -14.61119400
  H     18.92815385     11.09032867    -12.24938702
  H     20.92706420     16.14400136    -16.70481074
  O     15.11611111     12.87281730    -15.78199134
  H     15.18404175     12.71303213    -12.41535086
  H     19.68249068     16.21162624    -17.58810062
  O     18.45272590     12.04680622    -17.70348716
  H     16.13166173     12.23996151    -11.27623854
  H     23.42549520     18.25880016    -12.78743650
  O     17.44024560     12.68098504    -10.06066133
  H     21.80148996     12.92280830    -17.95900033
  H     22.46216184     17.19457514    -12.20594934
  O     19.86990289     18.74731541    -12.40846748
  H     20.88030286     14.08127405    -17.51294606
  H     17.89222481     16.84687232    -13.96865145
  O     20.76746378     13.68024410    -11.86137460
  H     21.72250966     17.01245403    -14.29581337
  H     18.89543035     18.01470174    -13.71713687
  O     17.72701089     11.10966518    -13.56713468
  H     20.23545814     16.81220670    -14.70114678
  H     21.71066992     15.18660949    -11.18708432
  O     20.55410353     15.80495999    -17.53073732
  H     19.37381152     17.53872953     -9.04034314
  H     21.31798302     16.49853793    -10.46999170
  O     22.57106115     17.85618121    -12.91333468
  H     19.18742200     16.56830266    -10.23073623
  H     18.15736590     12.75241137    -14.20811770
  O     18.51500139     17.44559202    -14.40311378
  H     21.25992608     13.42970416    -15.49888526
  H     19.35775814     13.67993497    -14.56294242
  O     22.03263598     16.06725337    -10.95583435
  H     21.24164548     14.76054879    -14.69606180
  H     17.62641829     14.13521745    -16.09551030
  O     18.39505546     13.62887948    -14.53830554
  H     15.53911155     12.01031965    -15.85018618
  H     17.34758744     15.32558151    -17.04988975
  O     17.16205299     14.39128490    -16.90883047
  H     15.68078472     13.47515644    -16.28694270
  H     16.02009441     15.18068243    -13.24478805
  O     16.93130714     15.49522562    -13.21753993
  H     17.96736437     12.88230617    -17.64872651
  H     17.46071847     14.82114919    -13.67462598
          69
 Ord_Energy   -250.637650    
 O   -3.17633843       5.99033546       6.25256824    
 H   -4.08768940       6.20745850       6.02181435    
 H   -3.11895680       5.98170042       7.21932840    
 O   -3.53332949       1.07625532       8.86679935    
 H   -3.91874099      0.559038639       9.56928635    
 H   -4.25830507       1.56914210       8.44566917    
 O    2.08940983       4.41175938       8.31131268    
 H    1.41320372       3.96681571       7.77064276    
 H    2.91662860       3.97399950       8.12927628    
 O   -2.60431433      0.649622738       6.21057177    
 H   -2.70374656       1.58860838       5.98447704    
 H   -2.82926011      0.578679025       7.14456367    
 O   -1.73606420       3.28057671       8.99837875    
 H   -2.26886582       2.47872877       9.01759911    
 H   -1.16662335       3.24385643       8.21530628    
 O   -4.45728779      0.219322175       4.14376974    
 H   -3.82644367      0.206671208       4.87668324    
 H   -5.25535727      0.646318257       4.47542763    
 O   -6.21084452       4.24894810       4.05964899    
 H   -6.45587826       3.37172246       4.37491798    
 H   -5.40704918       4.13177729       3.53429842    
 O   -1.11775577       4.82937956       2.80556703    
 H  -0.691254199       5.40321779       2.17360616    
 H  -0.870541930       5.15765142       3.68626690    
 O  -0.617301941       5.72328138       5.34252024    
 H   -4.55870591E-02   6.20153952       5.96067476    
 H   -1.52901888       5.92344284       5.60264874    
 O   -5.30563021       2.60592604       7.42377663    
 H   -5.56917667       3.43245649       7.85488892    
 H   -4.62349892       2.83644509       6.77376890    
 O    3.05675305E-02   1.14717460       5.33318233    
 H  -0.795570612      0.746810257       5.63187122    
 H  -0.107909434       1.37658703       4.40216637    
 O  -0.767657757       7.15562534       9.82236290    
 H  -0.380157828       6.31974745       10.1405087    
 H  -0.603176415       7.80945683       10.4967251    
 O   -3.04407954       5.72610855       8.98486900    
 H   -2.64651299       4.84321022       9.02893639    
 H   -2.37694216       6.34048462       9.31470966    
 O   -3.30298090       3.27541614       5.63064432    
 H   -3.48059297       3.31359434       4.68211174    
 H   -3.18387914       4.19075727       5.91332912    
 O    2.06360798E-02   3.39299750       6.83925104    
 H    9.15641263E-02   2.58804417       6.30370522    
 H  -0.229977176       4.12253714       6.25993729    
 O   -3.25953150       1.15634906       1.91668952    
 H   -3.45717788      0.612141252       1.15968513    
 H   -3.69557595      0.742762685       2.68370247    
 O   0.240024909       4.70971537       10.4434729    
 H  -0.444532663       4.10862589       10.1198826    
 H   0.996751428       4.57830763       9.85724640    
 O   -3.71792197       3.72780943       2.88978362    
 H   -2.88149166       4.20109272       2.79248166    
 H   -3.61322618       2.87551928       2.44489217    
 O   -5.76701307       5.10128880       8.41149044    
 H   -5.91754913       5.58908176       7.59162855    
 H   -4.91434240       5.40229988       8.75300407    
 O   -5.92097616       6.30428648       5.80031157    
 H   -6.07563543       5.57627535       5.17220640    
 H   -6.45687199       7.03674555       5.50822067    
 O   0.816992819       6.82597589       7.40930557    
 H    1.39658546       6.12211561       7.72682714    
 H   0.263763160       7.06427860       8.16264915    
 O   -6.69562721       1.65867710       5.24963760    
 H   -7.55840635       1.29867339       5.44166756    
 H   -6.31384706       1.93845665       6.09827566    
 O  -0.627673030       1.97513485       2.76752210    
 H   -1.45925415       1.62265515       2.42915893    
 H  -0.718500674       2.93482542       2.74580503    
          69
 Energy    -250.63745601199167     
  O     16.84394305      4.02291619     -9.48528463
  H     16.30201636      4.45340268     -8.81377471
  H     17.24143671      7.76023187    -17.71246058
  O     18.06914938      9.84411039    -12.46529866
  H     16.21841813      3.65692664    -10.12699459
  H     17.20834032      7.37692054    -14.15034521
  O     13.07952796      7.50333501    -12.53224537
  H     18.76006627     10.49481390    -12.37258415
  H     17.45382514      8.88731663    -13.91939116
  O     12.65246031      5.68711273    -16.64254451
  H     18.21878655      9.17750361    -11.77108700
  H     12.77066310      6.03982878    -13.48383690
  O     15.32704504     10.63991021    -12.00397758
  H     12.53220581      7.80309697    -11.79718811
  H     12.58843510      5.29768119    -14.84395214
  O     16.02311852      7.62723648     -9.11743512
  H     13.89703715      7.16122599    -12.13594541
  H     16.07519618      6.37098475    -12.11763882
  O     18.39490956      7.95889812    -10.54677532
  H     12.98966308      6.59887315    -16.71538482
  H     15.15294060      5.43990181    -11.30689102
  O     12.16484398      3.82982762    -11.55654252
  H     12.00039866      5.58012378    -17.32981414
  H     19.59455552      4.66761066    -10.87069745
  O     15.42339386      4.82942216    -16.78520415
  H     16.26720510     10.45176488    -12.10419139
  H     18.11659577      4.74873677    -10.42643066
  O     14.98656695      5.37425759     -7.77053230
  H     14.91520773     10.34056618    -12.82335881
  H     12.68497030      8.75923105     -9.91704313
  O     13.79345278      8.12497736    -16.81722929
  H     15.76477743      6.96729297     -8.46441573
  H     11.14129600      8.69046394     -9.81230969
  O     16.55687280      7.46680349    -17.11633320
  H     15.77048595      7.24433295     -9.97293767
  H     12.43110708      6.46676416     -9.55125718
  O     17.04182687      8.25642985    -14.52318724
  H     17.66464085      7.94209217     -9.91263535
  H     12.47512671      5.00362832    -10.04691336
  O     12.71061263      5.16393467    -13.89567434
  H     18.63495122      7.03726880    -10.69269657
  H     15.26464959      8.84895191    -14.35678713
  O     15.33574636      6.36822925    -11.49738441
  H     12.25815388      4.26294104    -12.42190130
  H     13.86476516      8.64964696    -13.70089813
  O     18.77975105      5.13882884    -11.02351870
  H     11.43903241      3.21546466    -11.63343188
  H     14.51697488     10.06152642    -10.48879580
  O     11.90597260      8.19813599    -10.09610688
  H     14.48185965      5.02923242    -16.85870422
  H     14.82472380      9.04453900     -9.36637374
  O     12.75912682      5.58489777     -9.33312181
  H     15.88044145      5.66408936    -16.94568498
  H     17.92612860      5.48502120    -12.63312831
  O     14.37043894      9.21478050    -14.30310318
  H     14.71775253      5.16914971     -6.87907851
  H     16.75649671      5.13647387    -13.63254436
  O     14.13415926      9.62158536     -9.71562959
  H     14.17235555      5.42277786     -8.30282294
  H     14.00396459      3.45322730    -11.40039319
  O     17.36531946      5.82968480    -13.34007896
  H     14.70747130      7.96907509    -17.08534224
  H     15.19259549      3.50495836    -12.39516050
  O     14.96571527      3.50878280    -11.45480004
  H     13.85209480      8.62897685    -15.99401030
  H     14.45986632      4.47930450    -14.00625411
  O     15.33767890      4.09976393    -14.15137506
  H     16.79603754      7.79741114    -16.23444032
  H     15.49562847      4.19630746    -15.10210156
          69
 Energy    -250.63664324617636     
  O     20.85925580     10.43764747    -16.37466262
  H     21.34495894     11.26954412    -16.22828296
  H     21.91233048     17.67907091    -17.75750119
  O     16.59582681     18.35111206    -15.76721045
  H     21.51182802      9.75481220    -16.50279603
  H     14.51104592     14.33903374    -14.22298638
  O     22.01199908     14.35767121    -13.57430799
  H     16.27816439     19.23858705    -15.90830442
  H     15.34276626     13.44124036    -13.29296707
  O     16.72869464     11.61949938    -16.35840233
  H     17.21368202     18.15675062    -16.49719216
  H     20.35219316     17.09205056    -14.10739823
  O     16.60657851     10.65783815    -12.70122457
  H     22.71058684     14.45228424    -12.93211854
  H     21.33578640     17.09844331    -15.28976409
  O     14.55571128     10.90283990    -14.72870352
  H     21.76630663     15.25817957    -13.85225188
  H     17.82954870     13.41690118    -12.56104124
  O     22.07653349     12.81760111    -15.97869932
  H     15.95335916     11.25408017    -15.91559139
  H     16.73144108     12.40733847    -12.19788808
  O     20.72363286     14.67438527    -17.57259701
  H     16.55057674     12.56196210    -16.49144818
  H     18.09415694     14.82218828    -19.33765390
  O     15.19238723     16.09005434    -14.77301392
  H     17.40569482     10.55889532    -13.23533461
  H     16.98311114     15.08159192    -18.30417372
  O     19.42763236     13.27866953    -13.34805207
  H     15.87016025     10.56892181    -13.31841933
  H     17.92978017     16.82634378    -13.30699545
  O     18.82455210     11.29811849    -18.20624017
  H     13.68291481     10.52722343    -14.80340585
  H     17.89039001     17.71936315    -14.56726736
  O     21.23689861     17.32138515    -17.18651632
  H     14.44159967     11.82690572    -14.44043089
  H     18.12768277     16.99118685    -18.18922485
  O     14.53772009     13.46129283    -13.82791181
  H     22.16215953     13.29710352    -15.14689491
  H     19.34976727     17.67899866    -17.51377898
  O     21.25501932     16.85603906    -14.35916492
  H     21.71704343     13.45435243    -16.61154671
  H     16.20591107     16.38224028    -11.43676703
  O     16.92010948     13.35613074    -12.23232348
  H     20.03020066     14.71505351    -16.89425240
  H     16.68672036     15.09419795    -12.13983384
  O     17.51095017     15.50767949    -18.99280213
  H     20.32879835     14.29162860    -18.36576659
  H     19.49922059     10.60657654    -15.12441494
  O     18.48054672     17.19774056    -14.00772359
  H     15.60445187     16.09360715    -13.89877615
  H     18.06275175     11.18391719    -15.18778831
  O     18.39765915     17.74027966    -17.63588828
  H     15.52911807     16.88402750    -15.20863186
  H     19.04339057     14.23575184    -14.82409244
  O     16.57348292     16.05309198    -12.25343552
  H     20.35801095     13.53124178    -13.32283844
  H     18.76579625     15.72062721    -15.14007773
  O     18.76509239     10.91196639    -14.57779039
  H     19.34068018     12.39524972    -13.73789969
  H     19.15692706     12.65703400    -19.20830149
  O     18.85898580     14.85001308    -15.54666305
  H     19.52885843     10.94482967    -17.65010302
  H     19.58047959     13.18935254    -20.59774337
  O     19.38838359     13.46282479    -19.70516699
  H     18.02935751     11.32246844    -17.65764611
  H     15.84891179     14.88359958    -16.09423169
  O     16.42094596     14.35559188    -16.66217531
  H     21.15255705     16.37777596    -17.40825890
  H     17.31825069     14.51001450    -16.32511824
          69
 Energy    -250.63632463200634     
  O     13.14685579      9.31470300    -10.12377338
  H     13.89074686      9.81565895     -9.76438984
  H     15.66162985      4.85751700    -15.44431091
  O     13.91747445      5.62740851    -11.94953718
  H     13.05738491      9.58514933    -11.04707104
  H     17.12248192      9.31671515    -15.20292067
  O     16.73092273     11.43189535    -11.35358371
  H     13.79993502      5.93138904    -11.03926203
  H     17.94819998     10.18239087    -14.23029263
  O     18.77973478      9.81938846    -12.56397313
  H     14.80189179      5.23636683    -12.02531003
  H     14.70079023      7.13136694    -12.64909615
  O     12.48526765     10.93116604    -16.65436633
  H     17.49251440     10.95335294    -11.70054228
  H     14.51899215      8.65829993    -12.86796676
  O     12.34419120      8.52128326    -15.09299561
  H     16.17671797     11.63982439    -12.11721345
  H     13.39642394      7.67135190     -9.67666467
  O     15.25174751     11.63103757    -13.73030504
  H     19.71106322      9.82155047    -12.35809130
  H     13.13321547      6.53112394     -8.66180629
  O     16.13878467     11.51097603    -17.21851251
  H     18.41752694      8.98773557    -12.21207503
  H     16.65876443      4.86845797    -13.30039687
  O     13.99832990      5.16409792    -15.91358468
  H     12.98735120     10.58389906    -17.40289705
  H     17.05791924      5.72273826    -12.07201618
  O     16.49841141      7.63674351    -15.31780270
  H     12.24619879     10.16941903    -16.11321953
  H     12.66550179      5.77233840    -13.18616894
  O     14.27551957      7.75225251    -16.95991822
  H     12.09260061      7.69080187    -14.67168545
  H     11.26053450      5.41918026    -13.72231359
  O     16.60524850      4.82837643    -15.20299931
  H     13.02327738      8.28065740    -15.74059085
  H     17.23974471      7.63084158    -10.66031982
  O     17.34363661     10.23320589    -14.98073950
  H     14.85706982     12.22103987    -14.38430087
  H     16.68897303      7.78419442    -12.09129940
  O     15.13684841      7.92692058    -12.98009593
  H     15.93854290     11.12429035    -14.18655266
  H     16.11238358      8.74041450     -9.02931687
  O     13.64484208      6.76015046     -9.43303603
  H     15.55233929     12.14515830    -16.78699443
  H     15.50085140      7.33656276     -9.15269766
  O     16.53738333      4.95826150    -12.34656767
  H     16.68849499     11.13068350    -16.52150984
  H     15.06841608     10.52011771    -18.17465860
  O     12.05170124      5.91164273    -13.92755921
  H     14.01529578      5.97218855    -16.44509613
  H     14.44952439     10.15969143    -19.54763550
  O     17.50064594      7.60317592    -11.59341558
  H     13.29661427      5.29861143    -15.26655183
  H     15.59564317     11.19852361     -8.44286188
  O     16.34236555      7.80584364     -9.11538642
  H     15.98357168      7.74911132    -14.50120755
  H     15.95424762     10.88221381     -9.91233552
  O     14.37400655      9.99497703    -18.61189869
  H     16.74160752      6.70436742    -15.35188566
  H     13.43635866     12.29430634    -16.10863650
  O     15.50261640     10.53603174     -9.12216284
  H     14.32478170      8.43848161    -17.63575585
  H     13.65255224     13.82397258    -15.99965317
  O     14.07890788     12.98317814    -15.85972742
  H     15.10850950      7.77470113    -16.46629272
  H     12.84433110      9.53492650    -13.63594354
  O     13.23859052      9.94259105    -12.85264815
  H     16.99844719      4.12843054    -15.71749329
  H     13.86972024     10.61184724    -13.15332690
          69
 Energy    -250.63363984692282     
  O     14.65190614      4.20192694    -16.66678716
  H     15.53100711      4.00322424    -17.01009439
  H     19.79043813      5.91276323    -15.26652663
  O     17.37068592      7.33406527    -11.86017641
  H     14.67631482      4.06238407    -15.71080016
  H     18.90155107      8.84189882    -16.50115225
  O     20.05542760      7.84765547    -17.58022059
  H     18.15196161      7.72519430    -12.26798235
  H     17.60461551      8.43232928    -15.75752653
  O     17.79352347      6.50406897    -18.72024834
  H     16.60415263      7.77118140    -12.26436742
  H     15.70686218      7.01280295    -16.07027042
  O     13.41555689      5.66068102    -10.56770418
  H     20.85924716      8.06119284    -18.04626594
  H     16.01410115      7.51948767    -14.63599055
  O     14.70749212      4.10923814    -13.82506114
  H     20.31346339      7.34885587    -16.78409347
  H     12.62756843      7.45996629    -14.64169593
  O     15.24403737      8.36715565    -13.21056993
  H     17.11612584      7.17803752    -18.85211833
  H     12.97165647      8.84204507    -15.24287281
  O     18.20281727      5.03211031    -15.40193062
  H     18.57673094      6.95927599    -18.38908519
  H     16.34541595      4.36256484     -9.99253107
  O     13.91348776      2.93285766    -11.36331232
  H     13.46608119      4.71332699    -10.74982587
  H     16.84836903      3.75383518    -11.30269220
  O     19.44041039      8.55576978    -13.37889182
  H     14.27054105      5.90254514    -10.19251094
  H     14.28925707      5.86751822    -17.09777789
  O     17.29481316      3.99013013    -17.81350681
  H     15.60406326      4.32585362    -13.53411989
  H     13.58015449      7.20736705    -16.66326698
  O     20.50876870      6.56237320    -15.23153777
  H     14.31829063      3.59323404    -13.10772840
  H     17.34933130      5.58498516    -12.52334141
  O     18.27174019      9.13459452    -15.83001023
  H     14.90245513      9.14128074    -13.67496199
  H     17.73668235      4.65781817    -13.70715949
  O     16.41669005      7.14191904    -15.42809222
  H     14.51693186      7.72927012    -13.13944315
  H     16.31635040      6.73935279     -8.82570208
  O     12.55848613      7.99422388    -15.44499830
  H     18.00000148      4.50929005    -16.18645416
  H     16.60419365      6.67840928    -10.33955700
  O     16.41148763      3.52604141    -10.46904825
  H     17.57831232      5.77527687    -15.40923677
  H     15.07784102      7.80318696    -18.38426240
  O     14.27863499      6.82896378    -17.21686735
  H     13.57752562      2.09748106    -11.05044327
  H     15.16557632      8.50127549    -19.76276395
  O     17.28853031      4.67824205    -12.85086854
  H     14.80975661      3.03327577    -10.99481542
  H     13.72580242      5.67046060    -13.54804365
  O     16.10575673      6.25666228     -9.62168296
  H     19.02217818      8.85914667    -14.20195850
  H     13.17777846      6.28351460    -12.24380150
  O     15.63757290      8.37321535    -18.94366139
  H     19.99210866      9.27334554    -13.07490680
  H     13.80541953     11.22220514    -14.74276926
  O     13.29039563      6.45566066    -13.18996504
  H     17.54538189      3.35465446    -18.47843538
  H     14.76536466     10.37929172    -15.61375817
  O     14.15178554     10.34150135    -14.85908259
  H     17.44980812      4.87322588    -18.19570204
  H     15.83360649      9.76175314    -17.65414200
  O     15.95337625     10.34609195    -16.89521704
  H     20.30137924      7.14018209    -14.48926566
  H     16.82619453     10.13417396    -16.54055950
          69
 Energy    -250.63346913574054     
  O     17.70232585      8.08409279    -16.00618361
  H     18.28046577      8.16649715    -15.24009455
  H     18.27615506     10.84000316    -17.44508597
  O     15.24981132     10.22934385    -11.24822324
  H     16.84119575      7.81286537    -15.66223657
  H     14.69777574     10.92451856    -18.90402980
  O     18.07340399     15.63306174    -14.10703052
  H     14.55732694     10.47509430    -11.88011925
  H     15.90264818     10.80398879    -17.93619328
  O     15.19410887      7.73331998    -14.73114726
  H     15.81526902      9.57015387    -11.67386709
  H     17.96310400     13.30318990    -12.09236681
  O     13.70078147      8.68196747     -9.57923937
  H     18.37325941     14.91222811    -13.52492888
  H     19.06686892     12.76332916    -13.03265051
  O     15.01057397      6.51913663    -10.96304029
  H     18.51440442     16.42486731    -13.81081331
  H     19.78609915      7.92010404    -13.16520136
  O     16.51211568     11.74984804    -14.34351476
  H     14.84101087      8.59092694    -15.00978086
  H     18.32008190      8.39219344    -13.03818945
  O     13.23606610     11.06863240    -13.00680626
  H     14.47468669      7.24485508    -14.31228727
  H     12.72065578      7.29342008    -12.80029804
  O     16.67399524      8.13603657    -12.43208733
  H     13.66004661      8.97932501     -8.67409096
  H     12.48850652      5.88733652    -13.40284233
  O     19.23425455     11.26223288    -14.17616444
  H     14.29372168      9.29273284    -10.04933041
  H     14.24876517     14.34076940    -13.28464000
  O     14.43916713     10.30574952    -15.38035668
  H     14.39387384      6.35657297    -11.68845762
  H     13.13844201     14.46358532    -12.21661368
  O     17.50353272     10.29988416    -17.63908432
  H     14.54682443      7.11127956    -10.35819001
  H     18.40714938     14.79650115    -15.78609031
  O     14.97947103     11.11434886    -18.01424465
  H     17.44956715     11.52021089    -14.37818780
  H     17.49051993     14.02653218    -16.74629872
  O     18.78733760     13.54441229    -12.53735697
  H     16.36848506     12.16409316    -13.48481862
  H     15.38608729     13.25096912    -11.85915779
  O     19.14951646      8.53219196    -13.52620927
  H     13.51724937     10.83103434    -13.90230723
  H     15.97814855     11.90599163    -11.36569121
  O     13.16771311      6.52373577    -13.19548175
  H     13.30573444     12.02764385    -12.92537098
  H     16.07449789     12.84059091    -15.75612369
  O     13.75230192     13.84669717    -12.60657840
  H     16.20664800      8.03697754    -13.27507138
  H     15.40553733     12.73812038    -17.14306892
  O     18.41557137     14.26008983    -16.58773725
  H     16.26316013      7.50062687    -11.82773854
  H     12.47529909      8.68711315    -11.07038403
  O     16.21490610     12.78174048    -11.70169433
  H     19.31471777     10.32330427    -13.96678517
  H     12.32702468      9.55881361    -12.33622956
  O     15.77152138     13.36767595    -16.51242355
  H     19.53274406     11.40208965    -15.08489326
  H     16.18299648     15.39218753    -14.25683161
  O     12.10156180      8.69761403    -11.96044957
  H     14.44037085     10.52499030    -16.31955641
  H     15.29308347     14.64073875    -15.26004567
  O     15.27019395     15.12777237    -14.42478314
  H     15.22131490     10.74087727    -15.00226677
  H     20.51786697     12.02976579    -17.38924103
  O     19.74422055     11.92482330    -16.84223115
  H     17.59681886      9.48744982    -17.11932418
  H     19.32183014     12.80116395    -16.77975075
          69
 Energy    -250.63319182260256     
  O     18.10035586      8.94734102     -9.54741321
  H     17.58166977      8.77938174    -10.34644804
  H     15.47263284     11.86089790     -8.43761090
  O     11.77066356      7.12729365     -7.14318657
  H     18.44021089      8.09386590     -9.24281536
  H     12.71658930     10.39153025     -6.81743955
  O     19.25302842     11.17540487     -8.49965432
  H     11.03905854      6.57055547     -6.88828543
  H     11.96808242     10.29368221     -8.15969287
  O     11.03807345      8.88653195     -9.15325288
  H     11.44355933      7.72566789     -7.83514764
  H     14.71671628      7.51181332     -8.23486984
  O     16.48739001      8.28426953    -11.67668399
  H     19.90199713     11.54126245     -9.09476956
  H     13.42705194      6.72178764     -7.84703514
  O     18.84817003      6.43266414     -8.74889320
  H     18.86342934     10.40342607     -8.94621991
  H     17.79798279      6.78539279    -11.73474331
  O     19.81792195      7.05831994     -6.20222754
  H     11.66531735      8.77508426     -9.89019159
  H     18.63816935      6.11260922    -10.62574615
  O     16.50061762      5.02030672     -8.18250575
  H     10.20852732      9.15615732     -9.53887424
  H     16.88472023     11.17866355     -3.98440236
  O     12.81551425      8.59764815    -11.16743772
  H     15.99613181      9.11103412    -11.76612918
  H     16.60487832     10.00521569     -4.95030303
  O     16.84734675     12.21564216     -7.35696410
  H     15.82819149      7.60992501    -11.45731636
  H     15.29348773      9.81923804     -8.39488199
  O     14.84394272     10.58276501    -11.57227119
  H     18.03833886      5.94947169     -8.52774307
  H     16.56140278      8.94656520     -8.54550352
  O     14.79660770     11.47160860     -9.01198986
  H     19.31184973      6.58660880     -7.91595579
  H     19.49996433     10.26318008     -6.85932907
  O     12.54481382     10.86656259     -7.64400450
  H     20.60092487      6.83908497     -5.70438063
  H     18.71422300     10.11451076     -5.54563779
  O     14.27519046      6.65050681     -8.29785212
  H     19.69930411      8.02229026     -6.12792516
  H     13.93192283      8.89841162     -5.32521226
  O     18.22826670      5.95812879    -11.48774953
  H     16.43751836      4.53044544     -9.01086522
  H     12.59244732      8.39579569     -5.89849003
  O     17.11624663     10.82510745     -4.83936744
  H     15.69104910      5.55075958     -8.13355052
  H     14.37920075      6.45114249    -10.06410428
  O     15.68720895      8.97614138     -8.13895847
  H     13.44531896      9.30428789    -11.35309621
  H     15.00561522      5.52137050    -11.12034233
  O     19.43785155      9.73149073     -6.05677299
  H     13.30350666      7.77034374    -11.26521165
  H     16.93766845      5.59063264     -6.34193200
  O     13.01770662      9.16051557     -5.49375018
  H     17.69237204     11.98711251     -7.76355073
  H     18.08559482      6.39708000     -5.70835851
  O     14.54344192      6.36064973    -11.01589933
  H     16.87399919     11.83209169     -6.47231363
  H     15.75317956      8.72796169     -6.37038425
  O     17.16329273      6.14046128     -5.58289319
  H     14.84836014     10.95147120    -10.67100951
  H     16.20668314      7.66310528     -5.34420352
  O     15.77776132      8.52634408     -5.42262769
  H     14.75419150     11.32139323    -12.16906277
  H     16.41751895      3.29573315    -11.37160152
  O     16.30462807      4.12208324    -10.90984451
  H     13.96538737     11.39504846     -8.51683328
  H     17.03537330      4.70234113    -11.18946225
          69
 Energy    -250.63130412095251     
  O     20.67319301     12.34721801    -18.65588066
  H     21.03990428     13.04738232    -18.08918580
  H     17.69941677     13.55631185    -18.83467695
  O     17.75553918     17.86797901    -14.47519771
  H     21.36847723     12.08087299    -19.25208023
  H     14.94342632     11.19420745    -13.64239458
  O     22.30833666     13.79700505    -14.30542246
  H     18.67881000     18.12411491    -14.56226074
  H     14.66725188     12.67328547    -13.96120217
  O     15.72444674     14.16705720    -13.58347435
  H     17.40716003     17.79424583    -15.37673118
  H     18.56513719     12.43569262    -13.22631870
  O     16.67780297     12.47916686    -17.65946762
  H     23.09336307     13.76935369    -13.76581712
  H     17.35250653     11.72228037    -12.59195041
  O     16.41192115     10.15095371    -12.94812871
  H     21.77218912     14.54565529    -13.98365863
  H     16.13271085      9.82820572    -16.02436010
  O     14.63080258     10.83169248    -16.69786018
  H     16.46606756     13.63213336    -13.26532006
  H     17.67341958      9.89808972    -16.01513790
  O     21.42412329     14.35282401    -16.94368406
  H     15.81812560     15.03855760    -13.17835571
  H     17.47982108     17.26512866    -17.72855528
  O     20.95486301     17.15628880    -17.27388291
  H     17.44875724     11.99711019    -17.32930144
  H     16.48738848     16.52966367    -16.81394765
  O     16.38952906     16.66562111    -12.50626628
  H     15.90806130     11.93116224    -17.46184789
  H     20.01015979     15.67912641    -12.84759443
  O     19.84380102     12.38730379    -14.52217388
  H     16.32756827      9.35453939    -12.43077860
  H     20.66143951     16.74098615    -13.82549686
  O     18.42175714     14.03906187    -19.25604398
  H     16.65249882      9.87512388    -13.85089350
  H     21.00511198     19.13625177    -14.80392899
  O     14.37942063     11.77436562    -14.16873100
  H     14.46312570     11.20819752    -15.81484746
  H     20.70320885     17.93508660    -15.73048496
  O     17.81992435     12.56656828    -12.62350040
  H     13.79406604     10.51477786    -17.02623247
  H     18.41810587     14.24829106    -11.89616055
  O     16.91557053      9.52419268    -15.54805298
  H     21.92030947     14.13204556    -16.14579106
  H     17.90259331     15.70348498    -11.90647600
  O     16.83964546     17.40761738    -17.02235137
  H     20.51947600     14.53873200    -16.64005221
  H     19.30620637     11.41400035    -15.95444837
  O     20.66369279     15.81666738    -13.55096939
  H     21.33830092     16.27223549    -17.24591276
  H     19.56221220     11.34237443    -17.47739905
  O     20.55233419     18.29819229    -14.83919665
  H     20.20999822     17.09276517    -17.88676372
  H     19.32073512     15.30926831    -14.93684767
  O     18.69627358     15.16632516    -11.78850193
  H     16.86388035     17.13130454    -13.22028619
  H     18.09951720     14.90601339    -15.84105181
  O     18.95381336     11.06021376    -16.78408783
  H     15.88849393     17.32433796    -12.03382175
  H     18.66766968     17.09993103    -19.90654018
  O     19.02815486     14.73154323    -15.65120171
  H     20.76115865     12.62325739    -14.34616108
  H     18.63591569     15.77560181    -19.11549755
  O     18.77909951     16.73435382    -19.03220777
  H     19.45504309     13.17668115    -14.93592344
  H     16.00683755     14.58154047    -15.32302510
  O     16.30167398     14.81681510    -16.21291784
  H     19.18844898     13.45811188    -19.19564796
  H     16.35245998     14.00335048    -16.73187587
          69
 Energy    -250.63002523435000     
  O     14.87430569     10.92890454    -11.90616421
  H     15.05896717     10.95706973    -12.85567164
  H     14.43155099      5.14825676    -13.30378530
  O     14.42393493      8.63583132    -17.47615893
  H     15.66849495     11.19258570    -11.42494250
  H     12.02821220      9.63980515    -11.50943261
  O     17.71014649      9.14516442    -14.36116802
  H     14.77964697      9.53242055    -17.52007747
  H     13.19179720     10.63601394    -11.27522121
  O     12.39822959      6.04440360    -11.45413624
  H     13.82791658      8.62677607    -16.71686998
  H     16.65212801     10.64056714    -17.28750518
  O     15.90668246      9.82850731     -8.34974761
  H     16.85398811      9.59114951    -14.36878887
  H     15.94338020     11.90470795    -17.83415232
  O     17.98427499      9.52180620    -17.11971169
  H     18.10846610      9.28933383    -13.49082359
  H     13.70683377      7.90948329    -14.70511448
  O     15.08159595      8.14574495    -11.66158483
  H     12.80122754      6.30715821    -10.61480718
  H     12.45126562      8.67315510    -14.27002855
  O     15.22952872     10.52324316    -14.59702501
  H     12.97616104      5.36625386    -11.82077477
  H     16.59544301      6.54295667    -18.48991176
  O     17.46279885      7.00372687    -10.86119087
  H     14.94353312      9.85128350     -8.29195335
  H     15.80060450      7.53855552    -17.61451985
  O     18.61004520      9.41479358    -11.79446727
  H     16.16023892      8.90297112     -8.25141216
  H     10.46923223      8.16737699    -12.76452116
  O     17.28122789      4.88657765    -12.61089399
  H     17.68321918      8.65520567    -17.41822311
  H     11.76012823      7.46615621    -12.29466650
  O     14.34640723      4.34191506    -12.76513044
  H     18.09217837      9.44132760    -16.16081463
  H     12.75490607      9.92415437     -9.24189446
  O     12.38480372     10.27639679    -10.87926881
  H     14.55072913      7.84527588    -10.91341969
  H     12.41820166      9.98432552     -7.73081196
  O     15.81670829     11.14239136    -17.27669182
  H     15.00619057      9.10624434    -11.71343959
  H     14.67344439      6.95261459     -8.90526767
  O     13.15045594      8.67246298    -14.93284696
  H     14.47655436      9.92356364    -14.70060660
  H     13.47237190      7.93456979     -8.90308937
  O     16.62948989      7.03089015    -17.67134859
  H     15.40690580     10.89556388    -15.46932441
  H     16.92625592      6.95200715     -9.18955176
  O     11.41497484      8.28029888    -12.70128273
  H     16.67831395      7.47108631    -11.18785977
  H     16.96042166      6.47025401     -7.71967025
  O     13.05258577      9.64567770     -8.35607062
  H     17.53612326      6.20284511    -11.39914542
  H     15.65663719      6.64299724    -14.38769062
  O     13.82227129      7.13675213     -9.32207521
  H     18.17288457     10.08122029    -11.25140349
  H     14.87945084      7.22713086    -13.16289171
  O     16.47272772      7.01590915     -8.33067079
  H     18.40364833      8.55994219    -11.39432789
  H     16.71010810     10.80466652     -9.53645330
  O     14.77957797      6.73080844    -13.99123618
  H     16.37055992      4.57325651    -12.58631051
  H     17.51234595     12.08630176     -9.86812607
  O     17.10924345     11.31731809    -10.26245193
  H     17.40385871      5.30253781    -13.47524115
  H     17.16613659      6.52436730    -15.94593665
  O     17.32603320      6.48605924    -14.99448022
  H     14.07571344      3.64534136    -13.35958894
  H     17.56942076      7.38514415    -14.72330556
          69
 Energy    -250.62816199223982     
  O     -3.21719614      2.53548396      4.31260190
  H     -4.17454628      2.39769290      4.34321497
  H     -3.52961818     -3.03532418      1.26354952
  O     -0.24948601      4.82084538      2.59475030
  H     -3.07588919      3.10090404      3.53989706
  H     -3.40543602      2.50998631     -0.87713374
  O     -0.52571333     -0.51609969      2.41466954
  H      0.28774507      5.60530076      2.52385835
  H     -3.41819573      1.81347149      0.50951482
  O     -3.89506059     -0.31290793     -2.20468785
  H      0.24204586      4.10307980      2.15618084
  H     -6.03223557      3.79440280      0.97262866
  O     -1.39844948     -1.16510117     -1.60360256
  H     -0.54713413      0.01575611      1.60586582
  H     -4.86434673      4.31272075      1.86146227
  O     -4.34375706      0.82756154      1.62273867
  H      0.12913461     -0.10239370      2.99063425
  H      1.27171872      2.12063129      2.31329800
  O     -5.86496444      2.13010623      3.68983779
  H     -4.16618238      0.60207954     -2.33246028
  H      0.61749443      2.12007428      0.91712535
  O     -7.58547549      0.54947876      0.54470768
  H     -4.48859422     -0.67214432     -1.52932660
  H     -2.05846462      4.55739443      2.20771863
  O     -2.92652373     -0.20278367      3.76662060
  H     -1.02528093     -1.59930879     -2.36600304
  H     -2.85602875      3.64231612      1.24821690
  O     -4.68316525      2.46510882     -2.23733051
  H     -2.28470218     -0.85455168     -1.86259864
  H     -5.08386492     -2.32219086      2.92114729
  O     -5.43311484     -1.11384680     -0.03299826
  H     -4.94149725      1.34010507      2.17990209
  H     -4.50356524     -1.23043859      3.83486448
  O     -4.45146987     -3.31041787      1.41967047
  H     -3.78025586      0.34600878      2.24341859
  H     -0.39589659      3.73222249      4.18959317
  O     -2.90413431      2.40868743     -0.06085738
  H     -6.57881885      1.48628215      3.62626655
  H     -1.44900858      2.81989638      4.84190668
  O     -5.81480180      4.13774683      1.84601189
  H     -6.05482070      2.88694361      3.11363832
  H      1.88920050      0.92870426      4.57970717
  O      1.07206359      2.68477675      1.55600208
  H     -6.98595644     -0.13259971      0.21123866
  H      0.59003902      1.73240535      4.33345640
  O     -2.93924962      4.20289450      2.03342786
  H     -7.68778651      0.35747651      1.48468832
  H     -8.21502009     -0.45384835      3.87848761
  O     -5.32426029     -1.68770221      3.60692468
  H     -2.94106490      0.71841883      4.06240885
  H     -6.75791386     -0.69761737      3.42452946
  O     -0.50068287      3.00465413      4.81507797
  H     -2.05609862     -0.36691066      3.38017397
  H     -1.39088993     -1.93902306      1.51198001
  O      1.19725136      1.07872272      3.94159390
  H     -4.76482085      3.02602716     -3.00484601
  H     -1.75572905     -2.08906887      0.02295589
  O     -7.52719530     -0.10933855      3.31514697
  H     -5.47384703      2.61582619     -1.69377219
  H     -1.34310056      1.53045201     -0.02537780
  O     -1.94090014     -2.44437866      0.90075302
  H     -5.21449138     -1.96018868      0.37443187
  H     -0.70295238      0.24590788     -0.59456891
  O     -0.56045653      0.96335363      0.03487472
  H     -5.06089424     -0.43343506      0.55088910
  H     -7.13468983      2.05869703     -0.16628299
  O     -6.85354073      2.89579763     -0.57804782
  H     -4.46792944     -4.26123498      1.35406491
  H     -7.65215682      3.38520264     -0.76186968
          69
 Energy    -250.62632254395504     
  O     13.24251268      1.83600702    -15.13362654
  H     13.90225533      1.46659265    -15.73215650
  H     18.40210766      5.05981666    -19.26147082
  O     20.61901940      7.04218763    -16.99988894
  H     13.73914359      2.19523313    -14.38472450
  H     14.58168375      3.95917563    -12.74914996
  O     14.26011285      5.68454767    -12.05895610
  H     20.18914698      7.89615792    -16.86790886
  H     15.26202885      3.69757580    -14.10250128
  O     13.41846057      4.90892452    -18.96587045
  H     20.39041862      6.51001653    -16.22637357
  H     16.21342864      3.32896128    -19.07416165
  O     18.86766769      4.46129624    -12.37906210
  H     15.17618488      6.00661473    -12.14333013
  H     14.68059019      3.47042734    -19.04668288
  O     17.89826495      8.29564283    -19.03297381
  H     13.94172373      5.98237172    -11.21111291
  H     19.42716268      5.21336558    -13.98943218
  O     15.51133760      7.26084215    -15.99293039
  H     13.21130827      4.72622811    -18.03229710
  H     19.13044489      4.88764729    -15.47103441
  O     18.32592047      3.68720149    -16.49674768
  H     12.58598697      5.02421779    -19.41625331
  H     18.41900962      7.04340551    -14.74325584
  O     17.49184962      2.26269738    -13.16876059
  H     19.39287990      4.23530508    -11.61594329
  H     18.21565446      8.48074503    -15.27037697
  O     18.93321325      9.35957533    -16.75066353
  H     18.40483247      3.64892392    -12.65120860
  H     13.00967503      5.85276776    -15.09641418
  O     15.82951166      4.53123312    -15.57868619
  H     18.55088402      7.65093624    -19.33182049
  H     13.50405057      6.29839550    -13.69922010
  O     17.59353981      4.61183998    -18.98238096
  H     17.05565533      7.82368882    -19.00549367
  H     12.93304621      3.45822818    -15.95415309
  O     14.90264789      3.25043681    -13.31887482
  H     16.25552029      7.56892906    -15.46026350
  H     14.12595748      4.39207753    -16.16568900
  O     15.39628759      2.83236561    -18.94019831
  H     14.70988740      7.22247938    -15.44929460
  H     18.10781082      0.22275979    -15.93567315
  O     19.49323163      5.56833419    -14.88409253
  H     18.11730237      3.91456204    -17.41416733
  H     16.77410030      0.95080567    -16.21555291
  O     17.86172045      7.83053130    -14.65044288
  H     18.19998267      2.74013324    -16.36521131
  H     15.58965575      6.89676515    -17.71174114
  O     13.26418128      6.62469556    -14.57574881
  H     17.57971765      1.79654519    -14.00636318
  H     14.86170341      6.14161022    -18.85666189
  O     13.17240246      4.31767524    -16.32637627
  H     16.55612297      2.50011196    -13.09239872
  H     17.50729145      5.79759079    -12.30323008
  O     17.64934719      1.04999692    -15.80730678
  H     19.11510345     10.28649196    -16.87988708
  H     17.14088229      7.09628444    -13.04749194
  O     15.67602121      6.60626397    -18.63378073
  H     18.50165476      9.04315456    -17.56448194
  H     20.18148534      6.45029990    -18.58427572
  O     16.83113362      6.48293681    -12.37004005
  H     16.69251815      4.23274906    -15.88455507
  H     20.59041203      6.20307534    -20.05558998
  O     19.84222681      6.20794086    -19.46486187
  H     15.81003559      5.49413813    -15.65744699
  H     14.80820700      0.12868291    -17.51700145
  O     15.20199229      0.87998126    -17.07938019
  H     16.93373390      5.30752130    -18.83969894
  H     15.25665176      1.58907991    -17.74538446
          69
 Energy    -250.62597948519834     
  O     16.55148646      9.94692747    -15.64873568
  H     17.44588549     10.29419162    -15.79949739
  H     15.75986974     11.52984374    -14.86845702
  O     16.96876725     14.34589627    -15.67736401
  H     16.28549303      9.50917461    -16.45332898
  H     18.15719612     10.94322345     -9.61829872
  O     21.36288164      9.56953053    -15.17907814
  H     17.61806739     14.08368081    -16.33975106
  H     18.89064505     10.68056023     -8.28273532
  O     19.91420964     13.62591950    -10.01757739
  H     17.44178906     14.92856114    -15.06929771
  H     20.45574567     17.09237955    -11.63152163
  O     15.36642097     12.85591491    -11.80900883
  H     20.93168344      9.09524988    -14.44554455
  H     20.00784303     18.48170000    -12.14385927
  O     20.74706275     10.40680451    -11.24694051
  H     22.02498812      8.98271692    -15.53368491
  H     21.36384334     13.09988598    -11.02386979
  O     16.72498038     10.66393037    -10.56748989
  H     19.64593188     12.83327433     -9.53967090
  H     22.74610653     13.51285599    -11.57013225
  O     19.09752706     11.06527597    -15.77246512
  H     19.19273260     13.81182989    -10.63944598
  H     17.87817503     10.18812565    -12.98206107
  O     20.77767832     14.45619517    -15.26498909
  H     15.37096495     12.64092741    -12.76077291
  H     16.92207071      9.34069240    -13.82760080
  O     21.18227912     16.12206482    -10.36831734
  H     14.50130959     13.20212032    -11.60913528
  H     19.12687356     12.50369548    -16.82531847
  O     22.09300131     12.26753691    -14.31101096
  H     20.20245045     10.55179130    -10.46199778
  H     19.24129014     13.16098174    -18.22290902
  O     15.52120092     12.35292409    -14.43169032
  H     21.41557381     11.10529180    -11.26588043
  H     21.61278220     16.88828660    -13.46465110
  O     18.99635791     11.07921891     -9.14237289
  H     16.82481201     10.04638891    -11.30362951
  H     21.86711060     15.73302618    -14.45417899
  O     20.13477613     17.57630027    -12.41362896
  H     16.20276193     11.39888414    -10.91160808
  H     19.43209583     15.20344799    -14.30621451
  O     22.13330330     12.76955190    -11.51035021
  H     19.87932155     10.49842354    -15.76752076
  H     19.07998053     16.40240099    -13.38973193
  O     17.38091991      9.35390351    -12.98077963
  H     19.02796030     11.41065961    -14.86735291
  H     23.16973807     15.57767748    -12.52943724
  O     19.13179578     13.35475103    -17.29568940
  H     20.31497026     14.19874407    -16.06939610
  H     24.45610115     15.44140902    -11.68089021
  O     22.30915828     16.33855273    -13.84372319
  H     21.24303497     13.66767458    -14.94293917
  H     19.13221121      8.50995270    -13.05627667
  O     18.69867192     15.64635576    -13.85276869
  H     22.05045559     15.84076733    -10.68290388
  H     20.41674473      8.97788794    -12.35095481
  O     23.54055738     15.17959041    -11.72112050
  H     20.72680732     15.31805402    -10.08634602
  H     19.62877041     11.29270379    -12.51473921
  O     20.09313954      8.42438097    -13.07709346
  H     21.92121892     11.34292753    -14.51652886
  H     18.58603777     12.43986688    -12.68070926
  O     18.94884888     11.64981586    -13.09902261
  H     22.11979145     12.35154283    -13.34918043
  H     17.00256626     13.70478031    -11.82472923
  O     17.94055432     13.92793762    -11.85903252
  H     15.97636251     13.06508122    -14.90681074
  H     18.09682412     14.57546455    -12.56091170
          69
 Energy    -250.62588504154644     
  O     18.32272314      6.93079561     -9.86662509
  H     17.86701365      6.11400561    -10.11381164
  H     15.56743294      9.10141959    -15.28653884
  O     15.50389232     10.70720708    -14.35113214
  H     17.81541120      7.31430650     -9.14221635
  H     13.27906090      4.20091492    -14.08484069
  O     12.81763129      3.44047624    -15.72231919
  H     15.60729728     11.59831654    -14.67415753
  H     14.57280336      4.61935998    -13.33682653
  O     13.15174995      9.78712795    -12.98268444
  H     16.13566172     10.60053503    -13.61668398
  H     15.54595758      8.00857456    -11.02146018
  O     15.67605667      9.58858764    -10.04702856
  H     12.62438560      4.29269974    -16.15300334
  H     15.76108432      6.45465177    -11.11002690
  O     17.17552436     10.36450449    -12.25480802
  H     12.13139861      2.83412096    -15.98576974
  H     18.90170571      7.83075774    -11.23216632
  O     12.63260370      4.47009486    -10.75240100
  H     13.01060511      8.92382145    -13.39409010
  H     20.10947323      8.33795380    -12.05464769
  O     15.63850271      3.84462546    -16.08722194
  H     13.90168933     10.17949796    -13.44407459
  H     12.66873954      8.14939782    -10.14324045
  O     16.56177112      8.04605030     -7.88518213
  H     15.95334992      9.18698247     -9.21363284
  H     13.63586344      7.14371327    -10.78837786
  O     12.55519544      5.93588291    -16.75999868
  H     14.73550974      9.80329291     -9.99333552
  H     14.61339203      5.35812796     -8.30802788
  O     15.27885892      6.32835486    -17.54174968
  H     16.67748006     10.21590296    -11.43859277
  H     13.86892983      6.64297861     -8.71424084
  O     15.62827936      8.17379370    -15.54607322
  H     17.92492428      9.75941174    -12.21795040
  H     14.02001118      7.58157829    -14.74715471
  O     13.61148372      4.71859453    -13.34034726
  H     12.46520641      5.39147701    -10.51512308
  H     13.31742497      6.48933738    -13.89479268
  O     15.32375922      7.21264421    -11.52386726
  H     12.90539820      4.48821163    -11.68087927
  H     12.27469478     10.71840040    -10.10930487
  O     19.15704612      8.30321628    -12.04548198
  H     14.72387153      3.54095420    -16.03142261
  H     12.95128038      9.98289475    -11.29330936
  O     12.87022913      7.20896861    -10.19657856
  H     15.60826468      4.64601324    -16.62366314
  H     13.89143543      3.86490583     -9.73910525
  O     14.52958778      6.29568530     -8.09988374
  H     16.76473006      8.20974822     -6.96834092
  H     14.50155523      2.79272896     -8.80208813
  O     13.17368833      7.32743140    -14.35498054
  H     15.84074388      7.39023078     -7.90214297
  H     17.94963877      7.46194007    -13.18226843
  O     12.90146594     10.03226607    -10.31946777
  H     13.41064442      6.08188503    -17.18395997
  H     16.44735219      7.21093616    -12.91407050
  O     14.66206131      3.65234842     -9.18045633
  H     12.55717931      6.50329832    -15.97738974
  H     16.63100814      4.51056200    -11.64193201
  O     17.15061551      7.08961547    -13.57273913
  H     15.44045986      7.03823818    -16.89763423
  H     16.03683452      4.34451506    -10.20484225
  O     16.65569375      4.85773904    -10.73974919
  H     15.69709782      6.59726621    -18.35588392
  H     16.79369548      5.29942096    -13.60344591
  O     16.41780515      4.41300307    -13.50411423
  H     16.25692434      7.76442069    -14.93162194
  H     16.25961533      4.08780849    -14.40269260
          69
 Energy    -250.62564702760616     
  O     10.61131275      9.50087672    -11.59502702
  H      9.91457131      9.24387992    -10.99739210
  H     11.35877611     12.10209316    -16.54772082
  O     14.96168002     10.19791251    -13.32428165
  H     11.45321026      9.30235667    -11.14716360
  H     15.41018712     13.39285686    -14.42839245
  O     17.80939673     12.60948720    -13.01978618
  H     14.43745563     10.87020339    -12.87216805
  H     14.69508035     14.57890515    -13.74972580
  O     16.15938464      6.81561149    -14.27974610
  H     15.82019087     10.18549019    -12.88379378
  H     17.33163751     12.44103163    -16.01377309
  O     11.44048053     11.75097326    -13.02665970
  H     18.11043947     12.49264112    -13.92910742
  H     18.79192597     12.77223344    -16.40113567
  O     13.30837628     15.67948563    -14.32123213
  H     17.02757591     13.17343769    -13.07799677
  H     15.54524246     10.90166855     -9.02773746
  O     15.60432056     12.69397335    -16.14438251
  H     16.88121795      7.16515055    -13.74538209
  H     15.98402978     10.55115434    -10.46762697
  O     13.04577706      8.89785845    -10.53899733
  H     15.34563798      6.94852278    -13.77347523
  H     17.66447704      9.02505607    -16.02542384
  O     13.83437035     12.28801272    -11.84371613
  H     12.24640641     11.99661872    -12.54826528
  H     18.35278858     10.36547106    -15.64703176
  O     14.52028987     10.16410514    -15.99371332
  H     11.02599265     11.04250372    -12.51925849
  H     12.74016413     10.46953074    -15.77518460
  O     18.42313162      8.19129904    -13.08084832
  H     12.47408523     15.17949397    -14.26240683
  H     11.75332249     11.03932278    -14.69320380
  O     11.16965297     12.96711979    -16.94914485
  H     13.09790692     16.58843549    -14.12532430
  H     16.13198719      7.52302167    -15.86523233
  O     15.30713431     13.85050676    -13.58176796
  H     15.20717809     11.81325024    -16.18648127
  H     16.18891324      7.38201680    -17.40557755
  O     18.26199692     12.22824444    -15.82398141
  H     14.97298251     13.31933914    -16.52900238
  H     13.53474059     14.97438451    -16.12034399
  O     15.21447906     10.76218056     -9.91151054
  H     13.76721712      9.47688182    -10.27235588
  H     12.80183869     13.95680960    -17.01813559
  O     18.35897564      9.41532927    -15.48103636
  H     13.39104768      8.33116977    -11.24309288
  H     10.98446111      8.59107793    -13.27223017
  O     11.81174755     10.66839550    -15.58677309
  H     14.30910760     11.93915965    -11.07962326
  H     11.41812681      8.92852544    -14.71058990
  O     16.17076270      8.02380864    -16.70108204
  H     14.41074498     12.89138528    -12.33545569
  H     17.72474681      9.55345893    -12.07039569
  O     13.64037115     14.42221631    -16.90469875
  H     14.71524592     10.15845479    -15.04217542
  H     17.54904551     11.11708661    -12.11632112
  O     11.38675263      8.21355847    -14.06466518
  H     15.00427580      9.42165186    -16.37396062
  H     10.94878137     13.86582449    -15.26708347
  O     17.23190693     10.29760504    -11.70287080
  H     19.24336662      7.71745081    -12.97049273
  H     11.06388487     13.38481774    -13.81063617
  O     11.05352062     14.18008797    -14.36060747
  H     18.47143327      8.64080327    -13.94524455
  H     13.00706887      7.70071617    -13.39457837
  O     13.86676371      7.67684066    -12.94908169
  H     10.52180821     12.81586918    -17.63246581
  H     14.25619286      8.55395638    -13.08351618
          69
 Energy    -250.62557759330133     
  O     13.99200263     11.18801879    -11.41765469
  H     14.58419630     11.25279826    -12.17955043
  H     19.21657525      5.37827922    -13.69719218
  O     15.46787382      6.78424032    -15.01184430
  H     14.55149694     10.94899363    -10.67021327
  H     18.33691054     10.78718120    -11.49542168
  O     15.46933046      5.16319985    -10.84164373
  H     15.73997665      5.93327529    -14.64257417
  H     18.45770476      9.36089091    -10.93257408
  O     18.69778598      7.68339984    -11.66788462
  H     14.51006353      6.83232404    -14.89089636
  H     17.15210147      8.16214641    -12.60895472
  O     14.46378311     10.76529669    -16.04128918
  H     15.36517096      6.11205630    -10.67184216
  H     16.04773822      7.82949394    -13.67559910
  O     12.47658748      7.35652950    -11.58085772
  H     14.57761553      4.79626246    -10.82724398
  H     12.49844325     10.43926287    -11.86505839
  O     12.75832185      6.70398971    -14.33877474
  H     19.29716105      7.49825122    -12.40368662
  H     10.95552501     10.54240226    -11.93098241
  O     15.00097971      7.86286229    -10.58575167
  H     18.55797413      6.84901074    -11.20437911
  H     14.18500413      3.98862154    -13.91674004
  O     18.98971853      9.27742843    -14.92292834
  H     13.70410038     10.27664434    -15.67603132
  H     12.98697481      4.04538960    -12.95341564
  O     20.12828780      7.05110113    -13.97438140
  H     14.12421275     11.31344037    -16.74331170
  H     12.12072292      9.68516765    -14.01329448
  O     16.66368460      8.92318954    -16.37564263
  H     13.33416473      7.56172581    -11.17920737
  H     12.45404644      8.45571603    -14.87747749
  O     18.75400555      4.59248620    -13.38073555
  H     12.04779632      8.20803750    -11.73295285
  H     18.50812896      4.64214129     -9.80467111
  O     18.17841006     10.25827354    -10.70451247
  H     12.67649772      6.94746299    -13.40731919
  H     17.24291826      5.03534795    -10.59880864
  O     16.26409734      8.38584115    -12.91553837
  H     12.80039968      5.73686564    -14.35333576
  H     16.98039971      4.39524354    -13.64678024
  O     11.69098663      9.98158943    -12.16256919
  H     15.39791561      8.07211985    -11.44752721
  H     15.82454393      4.73010109    -12.67678438
  O     13.21900561      4.01783279    -13.88917204
  H     15.21461556      8.60483807    -10.00966751
  H     12.48995148      5.57175056    -11.23504701
  O     12.42313798      9.42170467    -14.89007844
  H     18.20223966      9.19001207    -15.48130459
  H     11.98637788      4.27510515    -10.56378866
  O     18.21054969      5.11721318    -10.57660609
  H     18.86797928     10.06539021    -14.38460826
  H     18.64549541     12.46650377    -13.46937033
  O     16.01686832      4.47127398    -13.58661393
  H     19.73369410      7.83768220    -14.39517461
  H     17.44309847     11.49729186    -13.38744537
  O     12.69607303      4.63292684    -11.09173428
  H     21.04125353      7.02722049    -14.24774519
  H     15.93995170     10.62415707     -8.52015828
  O     18.40016632     11.57587367    -13.23135943
  H     16.27576254      8.09456186    -16.06224395
  H     16.67219764     10.30070936     -9.84275709
  O     15.80815384     10.26506587     -9.39317558
  H     15.94070928      9.56000369    -16.37863878
  H     15.32872257     11.03206283    -14.44958188
  O     15.75522929     11.01286835    -13.58372778
  H     18.72436350      4.67405940    -12.41980021
  H     15.92791984     10.08116066    -13.37209534
          69
 Energy    -250.62485224054706     
  O     16.55984522     10.29615340    -17.05415236
  H     15.67217277     10.63878745    -16.89238009
  H     20.07527562     10.21120854    -16.25829283
  O     16.88712733      5.39721443    -12.59096653
  H     16.51513586      9.64404013    -17.76555032
  H     16.24835949      8.66817884    -14.34642270
  O     17.40565800     13.30947361    -11.12933832
  H     16.45352214      4.59581099    -12.30586717
  H     16.90507444      9.12093703    -15.67618082
  O     19.61520638      8.30730396    -14.06161579
  H     16.68512535      5.49770962    -13.53615949
  H     14.37085096     11.52956722    -15.29839324
  O     14.71864781      6.84173881    -17.20959382
  H     16.45931180     13.15706749    -11.01890034
  H     13.53284698     12.02247277    -16.49888246
  O     15.81965084     10.20514403     -9.74951010
  H     17.83850224     12.70514462    -10.51211006
  H     16.56169515      7.03733741    -11.67629953
  O     14.75488302      8.96684897    -13.34546356
  H     20.15215399      8.67783742    -14.77144156
  H     15.69348299      8.26408626    -12.03681194
  O     17.82942199     11.78347666    -13.38955066
  H     18.69416051      8.37105533    -14.36306773
  H     13.40855142      9.45513760    -15.92891557
  O     19.61484647      5.57329488    -13.57051656
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  H     13.69484006      7.95518173    -16.19350322
  O     19.18071862      5.04242488    -16.19990183
  H     15.25044166      6.30895431    -16.60566580
  H     18.67903997     10.56642023    -10.39228209
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  H     15.92145532      9.34141527    -10.16784221
  H     19.26018431     11.01635404     -9.03154271
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  H     16.71257469     10.50393595     -9.53456006
  H     19.13912806      9.11170914    -12.52037317
  O     17.00706268      8.52190566    -14.92603371
  H     14.14030832      8.70658297    -14.04913416
  H     17.84240753      8.96519002    -11.67484354
  O     14.07973989     11.30119117    -16.19742684
  H     14.79776438      9.93140239    -13.35394945
  H     15.00618248     11.55398729    -10.51588817
  O     16.35862377      7.94040963    -11.40778619
  H     17.77667804     12.46700237    -12.70530315
  H     13.94746569     12.67709547    -10.42582541
  O     13.27280019      8.56963464    -15.57458710
  H     18.08684151     10.97315250    -12.93181056
  H     19.66051486      8.12675538    -17.28159593
  O     18.51861101     11.13523607     -9.61905029
  H     18.79443944      5.45141541    -13.07927121
  H     19.18761215      6.65239040    -17.19969889
  O     18.60947575      9.53469899    -11.83180942
  H     19.73152109      6.53128792    -13.65663239
  H     14.80511865     12.03276664    -12.77331324
  O     14.66468133     12.34970614    -10.96200613
  H     19.42717728      5.17372678    -15.26706045
  H     16.03434369     11.75667153    -13.67508754
  O     19.07560911      7.47652649    -17.68849894
  H     19.57705545      4.22089808    -16.47740508
  H     18.07851139     11.14432212    -16.46258902
  O     15.06630087     11.72990721    -13.65279527
  H     17.40152474      5.44843128    -15.72079036
  H     18.58692021     11.64490664    -15.09506984
  O     18.87661123     11.41342484    -15.98705067
  H     16.74670450      6.77630594    -15.26532050
  H     17.57587645      7.88006123    -18.45148045
  O     16.71494259      8.14653264    -18.82281102
  H     21.51514358      9.81354470    -16.66570287
  H     16.78506305      8.05969271    -19.76964163
          69
 Energy    -250.62361299781765     
  O     -6.07200443      0.54896775      6.43152949
  H     -5.85623616     -0.33404627      6.09640136
  H     -3.93881801     -1.28182238      2.07429824
  O     -8.42400741     -2.25236245      4.32167605
  H     -6.57825456      0.98098105      5.72544711
  H    -11.88080483      2.10192640      5.44914075
  O     -7.72702298      4.30019998      5.77903191
  H     -8.88809558     -1.64754933      4.92719455
  H    -10.45616659      2.25164773      6.03818498
  O    -13.45042975      3.11437518      5.59979974
  H     -8.91351338     -3.07075534      4.32761951
  H    -11.36724210      6.04213856      5.73466451
  O     -7.28835412      1.89742032      4.38222000
  H     -6.81345064      4.61059424      5.75499682
  H    -11.54156669      7.49257432      5.22536583
  O     -8.16532935      0.66380888      8.17878423
  H     -8.21615527      4.78545958      5.09892930
  H    -11.96641520      4.10359608      3.08350428
  O     -9.51617962      3.02650291      7.40123717
  H    -13.29727431      3.64319526      4.79587776
  H    -12.30047012      5.40123556      3.84361333
  O    -11.63893828      4.85592119      6.99444491
  H    -14.37813146      2.89735129      5.61694806
  H     -7.92363703     -1.35901014      2.74610990
  O     -6.40718505      5.24629669      2.73936829
  H     -7.78591126      1.82701369      3.55878030
  H     -6.59068876     -1.01521352      2.06466884
  O     -4.89492425      1.67257661      2.96220935
  H     -7.48976754      2.74900895      4.78944151
  H     -9.50134679      4.65512500      3.34718954
  O    -10.36111354      3.12350942      2.94265944
  H     -7.96195636      0.26486681      9.02092306
  H     -9.76359856      6.00330072      4.06481407
  O     -4.72434277     -1.03839085      2.55719895
  H     -7.35305686      0.62070118      7.64508883
  H     -5.84008353      3.62014886      0.09435018
  O    -10.96403834      1.82176607      5.33452603
  H     -9.08453456      2.26056412      7.79819856
  H     -6.17068506      4.01452463      1.55445994
  O    -11.26547273      6.62043480      4.95723163
  H     -8.83176210      3.51671532      6.91985099
  H     -9.20746756     -0.24469646      6.81014713
  O    -12.69971077      4.61197040      3.45758139
  H    -10.92472909      4.28206659      7.30057192
  H    -10.18890593      0.17448502      5.69938107
  O     -7.54350976     -0.88512603      1.99496069
  H    -12.33617485      4.26767837      6.67836697
  H     -6.62918004     -2.07024368      4.89840324
  O     -9.06879758      5.45876623      3.67398245
  H     -7.32005141      5.44727741      2.98534854
  H     -5.28288531     -1.65949563      4.28360377
  O     -6.04727190      3.25832784      0.95140772
  H     -5.89993509      5.21709488      3.55890200
  H     -4.65567020      1.81673121      6.03048616
  O     -9.66764829     -0.56948945      6.02854290
  H     -5.69261031      1.72485402      3.51198590
  H     -4.12363831      2.18144870      4.63428638
  O     -5.72025468     -1.83365153      5.12594673
  H     -5.09484361      2.20094256      2.18013721
  H     -7.58812621      2.20273072      1.37176020
  O     -4.12428072      2.46955963      5.55683118
  H    -10.52974725      2.60725481      3.74429927
  H     -8.09892695      0.77277100      1.75038212
  O     -8.31823322      1.71785474      1.77403981
  H     -9.76023738      2.60612036      2.38987147
  H     -4.46503293      5.62936722      5.68931919
  O     -5.07585369      5.00378276      5.30899589
  H     -4.68994994     -0.07525980      2.68252016
  H     -4.68557412      4.12061433      5.43255994
          69
 Energy    -250.62342674979163     
  O     15.90445433     11.65086652    -15.12338276
  H     16.61967068     11.50840544    -14.48648721
  H     18.11802506      7.01697905    -11.64000844
  O     16.39146766      6.52835613    -12.32721419
  H     15.16190670     11.99390684    -14.61497734
  H     14.33018477     11.73525483    -10.38131847
  O     12.35794915      8.39963159    -11.21750326
  H     16.15919424      6.22229896    -13.21240646
  H     15.78755843     12.15575189    -10.73226833
  O     13.10553482     10.48912710     -9.54334169
  H     16.26008248      7.49019399    -12.33931109
  H     16.49396939      9.81824498    -12.57052460
  O     19.44110343      8.88246710    -13.88492823
  H     13.05279446      7.76134469    -10.99890545
  H     15.00964019      9.39041434    -12.73200712
  O     11.83819942      6.25428120    -14.99236077
  H     11.64905660      7.89548326    -11.63868908
  H     15.85299527     10.38885592    -16.29758322
  O     15.53151488      5.96622864    -14.91340581
  H     12.74089188      9.79290142    -10.11426292
  H     15.96269811      9.98529484    -17.78792443
  O     13.35714035      9.67554079    -13.48763833
  H     12.42968174     10.69962859     -8.90335338
  H     13.19585271      5.24471827    -11.22561787
  O     18.16699410      9.46843798     -9.48807400
  H     18.80303192      8.46691709    -14.49318279
  H     11.84953780      5.32302879    -11.97090001
  O     13.54842377      4.06088854    -14.27347563
  H     20.29780673      8.81246511    -14.29772836
  H     17.03479855      7.06300181    -15.38856608
  O     15.42753455      8.88177671     -9.47286767
  H     12.35751718      5.44760017    -14.88692540
  H     17.06543121      8.44046509    -16.07797364
  O     18.86768060      7.57466778    -11.39667196
  H     12.44329805      6.91050211    -15.36289932
  H     14.70929621      7.17392914     -9.88045897
  O     14.85888440     12.33175847    -10.92440056
  H     14.95415000      5.20797555    -14.76194812
  H     15.04437682      6.37048618    -11.14228293
  O     15.81818764      9.21740725    -12.23533756
  H     14.94743987      6.69852223    -15.16023375
  H     11.02125330      6.60501653    -13.49804428
  O     15.84187396      9.63163673    -16.91099378
  H     12.91229398      9.32051826    -12.70716231
  H      9.69798352      6.57546395    -12.69764323
  O     12.60668262      4.74820115    -11.80938523
  H     13.34801473     10.64071873    -13.44908655
  H     18.20879814     12.55794309    -10.06287004
  O     17.60284400      7.82170199    -15.56824514
  H     17.27839864      9.18494400     -9.23798359
  H     17.90713567     11.04149000    -10.11754817
  O     14.34047604      6.52561721    -10.49350489
  H     18.50113010      8.79113151    -10.09500036
  H     14.45550497      8.58932224    -16.22591832
  O     10.63609485      6.72062191    -12.61019448
  H     13.47356225      3.11942596    -14.40450266
  H     13.64796343      8.66160164    -14.90922995
  O     17.69676810     11.90097396    -10.52678531
  H     13.26341502      4.23933799    -13.35969473
  H     13.24314870     13.23408961    -13.46577129
  O     13.85693521      8.08627182    -15.66089695
  H     15.61335435      9.02862343    -10.41528655
  H     14.18066793     12.46055484    -12.50708724
  O     13.75321293     12.43322541    -13.38230765
  H     14.68920210      9.46267310     -9.26006167
  H     17.89666846     11.37707748    -12.29617516
  O     17.76658767     11.00347729    -13.17728615
  H     19.15865869      7.98174502    -12.22138464
  H     18.46283801     10.35727495    -13.35663413
          69
 Energy    -250.62275679537311     
  O     -1.29329210      1.14517206      3.81410908
  H     -1.58077229      0.61931303      4.55531336
  H     -2.83556011      6.25855018      0.33015616
  O     -3.06438810      0.27281387     -2.44772986
  H     -1.83782316      1.95469690      3.81466557
  H     -1.57787281      4.09774935     -1.79338424
  O     -2.45531321      2.38046810     -4.28726126
  H     -3.37128190      0.72481603     -1.65259243
  H     -2.58699663      3.52060763     -2.81579162
  O     -4.72639959      3.76549841      1.62537438
  H     -2.99716908      0.95551673     -3.12793542
  H      1.67133180      3.96257689      3.69380451
  O      0.69328842      0.06089992     -0.52900065
  H     -1.53755719      2.05297211     -4.29069842
  H      0.77998568      5.21189518      3.50923778
  O      1.77564042      2.14613208     -2.13392903
  H     -2.69629747      2.53311122     -5.19684526
  H      0.55105729      3.10448370      1.85199729
  O     -1.44843443      7.40866109      0.93339020
  H     -5.63805682      4.00936926      1.76146993
  H     -0.65107621      2.56755441      1.06368963
  O      1.33772958      2.15961403      3.30165620
  H     -4.31579995      4.48899675      1.11580440
  H     -3.18271145      2.67226294     -0.82821822
  O     -0.71586411     -1.08232153     -2.66372304
  H      0.31678525     -0.45738027     -1.25074812
  H     -4.07931427      2.48109571      0.41681588
  O      2.64806603      0.63550370      1.33805036
  H     -0.05623094      0.32555635      0.02693680
  H     -2.20712787      4.17055373      3.52534245
  O      3.04117637      5.50879353      1.29666181
  H      2.47577595      2.52115905     -1.57896535
  H     -3.48920701      3.47985722      3.02134641
  O     -3.51542722      5.61991059      0.08634215
  H      1.37911032      1.43970175     -1.60571443
  H     -1.47610607      0.84365108      1.98484784
  O     -2.52181759      3.94431967     -1.95185646
  H     -1.52345060      8.35898568      0.93615545
  H     -2.22999366      1.19203101      0.64347709
  O      1.69892320      4.92322245      3.58809963
  H     -0.59722993      7.19646470      0.50940240
  H     -0.75478008      4.72337563      2.20355127
  O     -0.10791935      3.35530547      1.19285130
  H      1.82000617      1.54676629      2.73098195
  H     -1.20777992      6.18979915      2.34209846
  O     -3.55561814      2.00134313     -0.23584394
  H      0.50467260      1.73959589      3.55189131
  H      0.66442138      5.92548866     -0.79731983
  O     -2.76284422      3.38876185      3.64959045
  H     -0.88093921     -1.96145426     -2.99361187
  H      1.65096499      6.35041827      0.30109785
  O     -1.39541912      0.88260392      1.02368342
  H     -1.58597625     -0.66159049     -2.53935655
  H      0.09405617      4.00667346     -0.44077855
  O     -0.99816549      5.40043498      2.85460074
  H      3.31801943     -0.04387555      1.36546814
  H      0.71117190      3.60300476     -1.79338761
  O      0.88799247      6.65586042     -0.20389406
  H      2.00260685      0.36021654      0.66622407
  H      0.73013043      1.66382664     -3.60708745
  O      0.13349441      4.25485724     -1.37831563
  H      2.59660620      5.33021447      2.14341431
  H     -0.13908549      0.40461416     -3.76558871
  O      0.02074550      1.27978733     -4.13951796
  H      3.83098782      6.00306475      1.50355268
  H      3.27012962      2.32935359      0.48071542
  O      3.43687919      3.04713352     -0.13998198
  H     -3.21066587      5.17420899     -0.71529990
  H      3.30018957      3.87177487      0.34224512
          69
 Energy    -250.62237367063582     
  O     13.34853124     10.98981741    -15.43614300
  H     14.17809636     10.65755862    -15.79960906
  H     15.98512219      5.45872023    -14.38818112
  O     13.50437719      6.43051364    -11.61007767
  H     13.52832588     11.19653394    -14.50855380
  H     15.02299916      8.09214082     -9.50042540
  O     17.36644084      5.37378265     -9.50353383
  H     12.57036491      6.22137901    -11.72121505
  H     14.72017552      6.86835175    -10.39640685
  O     12.29402341      4.78763100    -14.47153062
  H     13.70066462      7.16155046    -12.21817920
  H     13.97481009      9.28483442    -13.18011302
  O     11.07510116      9.50722425    -15.49036254
  H     17.45290941      5.11109377     -8.59051269
  H     15.12149082      8.37590885    -13.67133924
  O     15.26975335      7.19539188    -16.91202463
  H     16.65370317      6.03373249     -9.53638108
  H     16.57413992     10.47986032    -16.72837123
  O     14.29413892      9.73239395     -9.35710019
  H     12.43485793      5.58664520    -14.99982636
  H     16.32488967      9.55727112    -15.51572487
  O     19.15596569      6.70503153    -11.30473683
  H     13.16963192      4.51465861    -14.16903717
  H     11.30293155      5.44587876    -13.20020596
  O     12.80282500      7.29684867    -15.58006903
  H     10.42679882      9.91088811    -16.06081303
  H     10.18007814      5.31751588    -12.14359651
  O     17.01714813      3.70211176    -11.81111308
  H     11.86432760     10.07848606    -15.51392934
  H     10.75416764      7.77332011    -12.69043310
  O     18.88064210      4.99932833    -13.58895821
  H     15.48383960      8.13513874    -16.90613936
  H     10.83059280      8.97553181    -13.66952932
  O     16.65592561      5.91927733    -14.91362345
  H     14.35163652      7.14584822    -16.61131903
  H     15.54019263      4.14912946    -12.74450306
  O     15.40398749      7.26972383     -9.84045951
  H     13.43857824      9.85489655     -9.78717311
  H     14.40339890      5.19756297    -12.64248596
  O     14.19482703      8.37213840    -13.40242844
  H     14.90034086     10.33583577     -9.80256791
  H     11.47629951      9.71340057    -11.48502384
  O     15.90136009      9.96303027    -16.29085659
  H     18.68791065      6.19282580    -10.63213980
  H     11.18748892     10.79457737    -10.42022037
  O     10.86871737      5.89865575    -12.45457714
  H     19.16644737      6.15393692    -12.09737685
  H     17.11793720      8.63325971    -13.19829195
  O     10.79569350      8.73622065    -12.73574479
  H     13.29386635      7.64198328    -14.81925009
  H     16.92136588      7.62779621    -14.38091067
  O     14.85890101      4.60746856    -13.25785089
  H     12.10323895      7.94094505    -15.73738895
  H     13.14491360     10.95572501    -12.04128892
  O     11.89524073     10.31578188    -10.84408536
  H     17.11212804      4.17905974    -10.97751423
  H     14.67283822     11.20115242    -12.18456138
  O     16.88237006      8.56330478    -14.13254789
  H     17.73938951      4.01018299    -12.37227448
  H     16.65920298     10.32787474    -11.18648020
  O     13.85601857     11.07850627    -12.68474588
  H     19.51329090      4.59174490    -14.17536439
  H     16.80047895     11.82040520    -10.81289729
  O     16.16338256     11.15411386    -11.05823567
  H     18.14823620      5.31232643    -14.14584930
  H     16.59570230      8.19858277    -10.91512622
  O     17.28810467      8.67476578    -11.39372728
  H     16.22643153      6.24768685    -15.71713646
  H     18.07239347      8.10645601    -11.36448879
          69
 Energy    -250.62194772312861     
  O     14.84935730     10.65441784    -15.91109531
  H     15.25663278     11.40047561    -16.38839011
  H     14.85280379     13.04491553    -13.86199017
  O     17.49862780     16.59740632    -14.17592589
  H     14.17926937     10.29375259    -16.48513503
  H     15.92369237     13.44714526    -16.28885319
  O     20.14919651     11.09370208    -16.83726363
  H     18.08460562     16.28170080    -14.88910420
  H     16.93000385     12.92365977    -17.32287829
  O     20.00241416     12.10269267    -10.29652484
  H     17.27381655     17.50055087    -14.38215444
  H     19.51029038      8.91702661     -9.84492219
  O     15.25482754     11.73588441    -11.06026988
  H     20.54127515     11.57442971    -16.09241407
  H     19.58033991     10.35398629    -10.40063832
  O     21.00156149      9.16440355    -12.94790403
  H     19.95585488     10.21642695    -16.49034633
  H     21.33095522     11.77501047    -11.53696677
  O     16.76897046      9.47337012    -11.92446727
  H     19.15429265     12.37203125    -10.68111185
  H     21.83944444     10.66563449    -12.48835042
  O     18.75811148     13.26273292    -17.69994694
  H     20.44721853     12.93026485    -10.06473529
  H     16.92706076      9.54863066    -13.66277538
  O     21.13216851     15.14564806    -13.93499502
  H     14.87519527     11.91195521    -11.94101091
  H     16.30154044      9.91717405    -15.06093040
  O     21.10889295     14.62724173    -10.24949641
  H     14.54019792     11.80410653    -10.43348140
  H     19.09208435     14.77256324    -16.53314997
  O     20.80260807     12.48429482    -14.56308806
  H     20.53386610      8.98853977    -13.77283789
  H     20.01306985     15.44670955    -15.47047607
  O     14.37806663     12.25918363    -13.55428857
  H     20.34924006      9.11350559    -12.23867479
  H     22.86895538     13.16157185    -12.24718492
  O     16.01750476     12.82713404    -17.02541698
  H     17.59782664      9.44619614    -11.43097595
  H     24.10139385     14.09005901    -12.17297294
  O     19.30537743      9.44701349    -10.61231846
  H     16.23802745     10.18062682    -11.53851005
  H     18.45965185     15.93081313    -12.68465368
  O     21.99951289     11.57995734    -12.20854433
  H     19.22343514     12.45053219    -17.43474143
  H     18.51306095     14.63975157    -11.83578747
  O     17.12197017      9.70070901    -14.60177754
  H     19.00527980     13.42902076    -18.60699879
  H     19.42431713      7.81464182    -15.71730773
  O     19.20887770     15.56253445    -15.99251779
  H     20.42201501     15.25355812    -13.28418525
  H     18.63121818      9.00474888    -15.12953666
  O     23.14973182     14.09238906    -12.23781211
  H     21.93198295     14.94548085    -13.43311257
  H     17.76438951     11.40338808    -14.32835579
  O     19.02728044     15.41671840    -12.09674486
  H     21.88421432     14.58540530    -10.82163995
  H     19.00914185     12.34502852    -14.32622345
  O     19.52216701      8.70003449    -15.37534348
  H     20.42409122     15.07123497    -10.76634296
  H     16.43818868     15.06670359    -14.40796603
  O     18.06992628     12.29265665    -14.11025384
  H     21.21664478     12.07225603    -13.79503740
  H     16.83167981     13.56699572    -14.46651337
  O     16.09395670     14.18601002    -14.58864892
  H     20.92878402     13.43597881    -14.45833192
  H     16.85455593     12.67445447    -11.22328586
  O     17.71487188     13.00738492    -11.50265067
  H     14.40269747     11.63967049    -14.29168295
  H     17.84574548     12.70015311    -12.41344237
          69
 Energy    -250.62005887079002     
  O     13.27945311     12.06700598     -8.86112144
  H     13.29330382     12.23758481     -7.92318141
  H     13.32727386     14.80447922    -12.16696600
  O     11.20702451     10.88640427    -15.49898191
  H     14.01312840     12.57661373     -9.25061815
  H     12.60882505     13.11701084    -17.23894054
  O     13.75413044      9.57396609    -10.14179436
  H     11.58038174     10.93027288    -16.38828326
  H     12.04708068     13.90790958    -16.04209513
  O     11.28300091     12.40313077    -10.83559520
  H     11.16562805     11.79498102    -15.16498574
  H     15.09966023     11.92432515    -12.70832130
  O     11.40027354      9.74863383    -11.70543447
  H     12.92568362      9.43889255    -10.61751892
  H     13.94682054     11.19649856    -13.47548692
  O     13.11597543      9.64970773    -13.88308426
  H     13.63109386     10.38363887     -9.63037859
  H     16.88707854     12.70918078    -14.88139992
  O     14.86108679     15.75505641    -11.60192772
  H     11.72617958     13.06575136    -11.38478222
  H     17.61951360     11.36712016    -14.87712382
  O      9.40231526      9.76630736    -13.71891230
  H     11.83786187     12.30983828    -10.05115683
  H     13.49700866     11.11920205    -17.65950037
  O     15.15373807     13.47394697    -15.46150710
  H     11.34878679     10.67301612    -11.41837183
  H     12.48742592     11.05598409    -18.83070208
  O     15.13734497     11.12479142    -17.08584669
  H     10.63543921      9.60044062    -12.27451746
  H     16.67334694      8.49513674    -10.53069352
  O     10.97124428     13.49897494    -14.53299948
  H     12.52618937     10.00455067    -14.56074659
  H     15.32842333      9.22402430    -10.76002202
  O     12.73449154     14.11564049    -12.48490797
  H     12.58636506      9.58459028    -13.07621857
  H     14.76866952      8.86019310    -13.95537159
  O     12.75422843     13.90396814    -16.70115014
  H     15.48746275     15.58395317    -12.32633578
  H     15.91775010      8.67592299    -12.94274714
  O     14.32411463     12.05960702    -13.26700533
  H     14.94644895     16.67821770    -11.37843742
  H     16.70892755      9.29094809    -15.08503902
  O     17.58115623     12.22051615    -14.42372685
  H      8.76752468      9.18129041    -14.12462988
  H     17.84912106      9.09932049    -16.11568625
  O     12.56287399     11.25488684    -17.90150904
  H      9.97941450     10.09033735    -14.43068045
  H     16.66959342     10.82824503    -11.59126169
  O     16.22001140      9.08401483    -11.12805338
  H     14.36670716     13.77594085    -15.93937810
  H     17.13432367     11.86809472    -12.67384365
  O     15.70021384      8.61118304    -13.88005007
  H     14.83641126     12.95654527    -14.70341856
  H      9.03171998     11.55356865    -13.00045843
  O     17.24944135      9.74708339    -15.75615943
  H     15.84349672     10.57003532    -16.73618515
  H      9.68071088     12.48591268    -11.96154510
  O     16.68851916     11.76664149    -11.82082943
  H     15.21772296     11.96843181    -16.62364762
  H     16.01063290     14.74059839    -14.38416916
  O      9.11509712     12.47966073    -12.74454152
  H     11.60119401     13.84232378    -13.88381185
  H     17.30764614     14.55092532    -13.59514682
  O     16.53606486     15.11566669    -13.66264050
  H     10.18437661     13.26416678    -14.02042163
  H     15.89873934     12.88311883    -10.57463089
  O     15.31603454     13.41428306    -10.01509142
  H     13.29968176     13.36130808    -12.71979724
  H     15.18516795     14.25155898    -10.47462605
          69
 Energy    -250.61699622268497     
  O     16.29189690     12.23522071    -13.88898078
  H     16.77567358     11.79171022    -13.17860211
  H     13.24643933      5.24587483     -8.73420089
  O     16.34871200      6.49681327    -12.43965803
  H     15.45277977     12.50975384    -13.50176603
  H     13.77583078     11.35697343     -9.60914089
  O     11.98635803      7.75194703    -13.08377781
  H     15.47948811      6.09721489    -12.29573564
  H     15.23059914     11.89999561     -9.66291299
  O     12.68312676     10.02502553     -8.86584834
  H     16.44019051      6.59216589    -13.39698563
  H     15.16155981      8.69125196    -10.62861782
  O     19.56061219      9.16710473    -12.79749839
  H     12.45575481      8.60046874    -13.08061159
  H     15.79019890      8.10334679    -11.91012753
  O     16.17666126      6.84190107    -15.20290654
  H     11.90021262      7.50552844    -14.01178311
  H     16.46998668     11.36752158    -15.36747670
  O     13.55403826     10.00445642    -13.17138531
  H     12.21473408      9.37836765     -9.42342475
  H     16.81476710     11.38757590    -16.87709912
  O     17.26118270      8.82468873     -8.54477135
  H     12.08303107     10.26160947     -8.16275333
  H     17.67819133      7.94981357    -15.21828133
  O     14.07885282      5.04933022    -15.00058444
  H     19.12743385      8.97083493    -13.64784496
  H     17.76490041      9.45857597    -15.51472490
  O     14.70945456      8.07215053     -8.91103705
  H     20.49505171      9.23025781    -12.97486393
  H     11.93890535      7.21222038     -9.97990336
  O     18.40137513      7.51147054    -10.73829110
  H     15.60840881      7.61371126    -15.33064361
  H     11.50499076      7.93876840    -11.26430244
  O     13.23190406      5.86159420     -9.46199425
  H     15.58220235      6.07862005    -15.23639395
  H     13.12614733      6.38845148    -12.51387757
  O     14.34032755     12.02908689    -10.01052700
  H     14.21919133      9.64870964    -12.56041953
  H     13.53023606      5.55944857    -11.27771533
  O     15.41959659      8.91276589    -11.53071467
  H     13.51950957     10.95621146    -13.02735337
  H     11.88168581      7.32006723    -16.67014609
  O     16.56581214     10.80958519    -16.16108367
  H     17.30626007      9.77146022     -8.71566848
  H     13.09054349      7.89124148    -15.89645586
  O     18.24695841      8.72432156    -15.11648518
  H     17.73042317      8.37812924     -9.26673996
  H     17.68452145     12.31028646     -9.00694624
  O     11.52199580      8.02081718    -10.30249626
  H     13.41244140      5.64675131    -15.36153410
  H     17.31838423     11.40613916    -10.20760339
  O     13.69396651      5.66100730    -12.22332421
  H     13.92703789      5.03903313    -14.04657188
  H     14.14659916      9.43194253    -14.77054168
  O     12.37522022      7.23451573    -15.85816877
  H     15.61201907      8.30832139     -8.64365830
  H     15.12373943      9.66252494    -15.94818323
  O     17.08231032     11.62631196     -9.28966971
  H     14.11262966      8.80222924     -8.70785069
  H     13.24158267     13.48743510    -12.56446688
  O     14.45213356      9.05727072    -15.61012984
  H     18.90460328      8.00813374    -11.39349851
  H     14.01040990     12.52787737    -11.62448106
  O     13.81537736     12.72652224    -12.55891365
  H     17.76514530      6.99452695    -11.24913710
  H     18.26767698     10.27783124    -12.13456030
  O     17.48133677     10.75239557    -11.83660293
  H     13.83749411      6.58783882     -9.22862888
  H     16.77820514     10.09440438    -11.72292362
          69
 Ord_Energy   -250.615982    
 O    1.47140956       12.1370773      -10.3128719    
 H    1.85996687       12.9022532      -10.7613583    
 H   0.574651659       12.0557585      -10.6638079    
 O   -1.31954169       10.4114246      -7.52122402    
 H   -1.85662305       10.8971481      -8.15904331    
 H   -1.72537088       9.53986454      -7.43882036    
 O   -3.72808790       8.94740486      -9.90000820    
 H   -3.40924263       8.52761269      -9.09116173    
 H   -3.50875163       9.88353252      -9.82164001    
 O    3.54701185       8.26336384      -10.2615690    
 H    3.52758288       8.34580517      -9.29921532    
 H    3.60277581       7.32065535      -10.4654322    
 O  -0.886493981       9.38238049      -12.3357687    
 H  -0.379178286       9.08246613      -11.5645456    
 H   -1.66345370       8.81607342      -12.4095592    
 O    3.14068675       10.4433708      -11.8434153    
 H    3.43375683       9.69236565      -11.3087349    
 H    2.54718137       10.9737196      -11.2943840    
 O   -2.51770926       7.81482458      -7.59713793    
 H   -2.87840772       7.27851868      -6.89608049    
 H   -1.82335711       7.28594017      -8.02731037    
 O    1.55826616       6.44445086      -12.5936546    
 H    1.55703771       7.25472021      -13.1126642    
 H   0.639316976       6.24073267      -12.3626318    
 O  -0.518752277       6.55308580      -8.93491173    
 H  -0.184671685       7.32457590      -9.41673279    
 H   0.270386130       6.13575506      -8.56188869    
 O    2.34461546       14.0539589      -12.0848026    
 H    3.02854395       13.6284838      -12.6170101    
 H    1.54759943       14.0354481      -12.6293726    
 O    1.60908473       11.7073593      -14.9290743    
 H    1.51681912       10.7695627      -14.7188740    
 H    2.50157928       11.9513769      -14.6522102    
 O   -3.12287474       7.71446514      -12.2230721    
 H   -3.90996480       7.56393099      -12.7389917    
 H   -3.40577316       8.12664700      -11.3867807    
 O    2.01241565       5.82505465      -8.16435242    
 H    2.37908435       6.66020918      -7.85029125    
 H    2.45945549       5.63155508      -8.99853897    
 O    1.32664442       10.4840717      -8.08892250    
 H   0.410355806       10.5284777      -7.77189302    
 H    1.45883572       11.1878729      -8.73908043    
 O    3.08110881       8.46930408      -7.50276613    
 H    2.45966005       9.20925999      -7.61588955    
 H    3.60994291       8.67221069      -6.73529434    
 O    1.48508489       9.11904526      -13.7392740    
 H    2.08195615       9.53823471      -13.1033335    
 H   0.592603147       9.21101665      -13.3735313    
 O    3.27046943       5.54568624      -10.7463045    
 H    3.77321124       4.80698681      -11.0771704    
 H    2.64695168       5.80040407      -11.4528913    
 O  -0.993165314       5.88380432      -11.6629515    
 H   -1.77431095       6.40177250      -11.8890285    
 H  -0.921598256       5.92061090      -10.7008877    
 O   -1.03640974       11.9975548      -11.5952816    
 H   -1.02573979       11.0886097      -11.9344854    
 H  -0.776165009       12.5788574      -12.3208189    
 O   0.680151880       8.71816826      -10.1763144    
 H   0.786121488       9.35630703      -9.45930767    
 H    1.56917095       8.41852474      -10.3993778    
 O    1.68018998E-03   13.5124559      -13.7046289    
 H  -0.381981283       14.0945082      -14.3551369    
 H   0.525798917       12.8527880      -14.1942978    
 O    4.06216908       12.3163471      -13.6053867    
 H    3.84876990       11.6061029      -12.9748011    
 H    4.99361563       12.2449198      -13.7960291    
 O   -2.85768533       11.6575346      -9.57925034    
 H   -2.23598266       11.8510895      -10.3003407    
 H   -3.39838433       12.4356766      -9.46705914    
          69
 Energy    -250.61580293971844     
  O     -5.76991561     -0.47956326     -0.11798749
  H     -5.53548245      0.37919141      0.26342024
  H      0.92467489      2.00176555      4.07852830
  O     -5.92163971      3.01616463     -3.20728278
  H     -5.64036403     -1.12317533      0.58993923
  H     -2.06029526      3.95567692      2.35071509
  O     -4.99481517     -2.13151065      2.04460930
  H     -6.23990300      2.12474068     -2.97574056
  H     -1.28121599      3.17566797      3.42030387
  O      0.77173204     -0.74977561     -0.14413419
  H     -6.66455179      3.48642521     -3.57614424
  H     -4.89098706      2.12359620      1.90199829
  O     -1.42113101      0.06949326     -1.65675322
  H     -4.63461036     -1.47941602      2.67165878
  H     -3.87892582      1.49074812      0.92669040
  O     -3.74385737      1.76169736     -4.64372112
  H     -5.49918264     -2.75560831      2.56030116
  H      0.97625935      2.07841335      1.53820060
  O     -3.69171580     -1.52333501     -1.67967138
  H      1.08004234      0.11409706      0.16421823
  H      0.96638213      2.48651828      0.04055074
  O     -1.99581741      2.58092097     -2.71764056
  H      0.09803831     -0.55985676     -0.81047570
  H     -2.69166064      4.08116903     -0.04141061
  O     -4.11928463      3.52589125     -1.11736400
  H     -2.20163333     -0.49374925     -1.74703170
  H     -1.13646599      4.08904093     -0.07522914
  O      0.15148307      3.63483383     -1.33891818
  H     -1.58932736      0.88746504     -2.14126666
  H     -4.65493380     -1.69326616     -4.75842337
  O     -0.24754434     -2.45566863      1.65118064
  H     -3.98841542      0.82976065     -4.58520066
  H     -4.22782583     -1.24224593     -3.34377771
  O      0.26949985      2.08195359      3.38923457
  H     -4.50072817      2.25180449     -4.29856108
  H     -0.85153320     -1.02090116      2.63442253
  O     -2.11535973      3.63352157      3.26101485
  H     -4.41316691     -1.09636366     -1.19759953
  H     -1.55771874      0.28276977      2.17718504
  O     -4.78383116      1.83820764      0.98721882
  H     -3.30321368     -2.15889552     -1.05927372
  H     -1.93545002     -2.84905196      0.85673551
  O      1.33232684      1.85596121      0.67061687
  H     -2.45484801      2.31460267     -3.52771374
  H     -3.47162394     -2.76109842      1.05003096
  O     -1.90047187      4.04620506      0.51366636
  H     -2.68886856      2.89810467     -2.12188170
  H     -1.82090452      0.78978190     -0.03498940
  O     -4.62428033     -0.93718591     -4.17768619
  H     -4.76666605      3.48215955     -1.83251794
  H     -1.91904708      2.14482714      0.74119876
  O     -1.21501189     -0.18645015      2.95620844
  H     -4.46438093      2.97318564     -0.40111265
  H     -3.66150724      2.91202890      3.59948685
  O     -2.78102829     -2.98667246      0.41415763
  H      0.74211167      4.14827014     -1.88499192
  H     -5.00643475      2.98861373      4.35896052
  O     -2.13195782      1.20403304      0.78056197
  H     -0.51547115      3.25348747     -1.93418944
  H     -6.06564194     -0.07892595     -3.23910578
  O     -4.53018989      2.48361251      3.70564853
  H      0.17468062     -1.87969229      0.98560136
  H     -6.48639670      0.09263459     -1.76198550
  O     -6.60898341      0.45733618     -2.64812883
  H      0.36780306     -3.15952151      1.83610289
  H     -2.94665256     -0.31490063      3.61610203
  O     -3.90582197     -0.31628596      3.73694775
  H     -0.18830659      1.22563817      3.33844254
  H     -4.16684847      0.60881121      3.81055174
          69
 Energy    -250.61461676918952     
  O     21.03131647      7.81645478    -12.11332658
  H     20.75922469      7.70379221    -13.03413215
  H     18.92510394      3.35306529    -13.04363626
  O     15.56067195      8.74298139    -10.16068273
  H     21.12448466      6.92654715    -11.75204595
  H     15.07074998      8.11242310    -14.22799652
  O     13.09509788     10.11630366    -13.54416967
  H     14.77050696      9.29322074    -10.22229909
  H     16.12277669      9.13929758    -13.69646520
  O     17.69510139      8.33508989    -16.12810913
  H     16.11255956      8.97143793    -10.92299236
  H     18.04611221      6.19715950    -11.89586576
  O     11.51677313      7.90787669    -13.78049890
  H     13.20792987     10.23218461    -12.59205137
  H     18.61744065      6.67145772    -13.28205342
  O     18.46140100      5.66820636    -10.20694992
  H     13.96139708      9.89152831    -13.90462228
  H     13.12479435      6.95271081    -13.85418556
  O     14.39943080      6.33226041    -11.02780602
  H     16.91650565      8.54700857    -15.58802467
  H     14.17022608      6.53380067    -12.78069206
  O     21.04704413      5.11958172    -11.18050442
  H     17.76190499      9.02613834    -16.78319333
  H     17.18830992      8.35860679     -9.23352148
  O     16.12607899      4.22223284    -10.64039982
  H     11.99919849      8.75429338    -13.75642993
  H     18.64263424      8.74744129     -9.57349693
  O     17.10198315      2.79922880    -12.98990716
  H     10.76666415      8.03223199    -14.35487692
  H     20.54411626      4.34331984    -16.53104346
  O     19.85265121      7.23560816    -14.58198375
  H     19.39403051      5.47153906    -10.34883072
  H     19.14714638      4.90751532    -16.17165919
  O     19.81175657      3.72067503    -13.14335575
  H     18.39191188      6.49461004     -9.70493176
  H     12.63864782     10.68512843    -10.10609071
  O     15.56144490      8.91591788    -14.45517643
  H     14.93257985      5.54412953    -10.85097763
  H     12.63505637      9.25365505    -10.69458873
  O     17.81072524      6.54700967    -12.76613132
  H     14.86068025      7.09211680    -10.64867148
  H     20.15930669     10.50785510    -10.71355355
  O     14.03537906      6.66132664    -13.73349434
  H     20.64189054      4.58475586    -11.88738351
  H     20.15856562      9.08250224    -11.31554776
  O     18.11053537      8.12709587     -9.06039671
  H     21.75551866      4.59812732    -10.81281896
  H     15.27159653      5.43708746    -14.22526168
  O     20.02988351      4.70308933    -15.81344648
  H     16.40096087      3.62758950    -11.34567024
  H     16.72938913      5.53557612    -13.73556398
  O     13.13388250     10.09041563    -10.66339682
  H     16.93950813      4.65276745    -10.33975114
  H     17.55953565      6.46876762    -16.59840404
  O     19.59362452      9.76739515    -10.91392152
  H     16.73199914      1.97026168    -13.28387862
  H     16.98364094      5.23517174    -15.88610354
  O     16.13117235      5.00040523    -14.28282859
  H     16.67598708      3.49784561    -13.51560465
  H     11.63050339      7.64048861    -11.86441888
  O     17.57389801      5.50418740    -16.60472024
  H     20.05092093      6.40416261    -15.03219878
  H     12.66828337      7.05924233    -10.87638652
  O     11.92370399      7.67362385    -10.94559356
  H     19.18779304      7.69308372    -15.11245198
  H     18.03834126      9.54901760    -11.90298920
  O     17.24488498      9.18924188    -12.31775183
  H     19.90434601      3.96997768    -14.07060670
  H     17.41689943      8.24410020    -12.46014152
          69
 Energy    -250.61445499726182     
  O     -8.18245669     -2.20431308      6.14768011
  H     -7.34424552     -1.85097510      6.46891702
  H     -3.05343154      1.22484341      2.39555239
  O     -9.26900680     -2.29680207      1.83423906
  H     -8.85993612     -1.53596780      6.30554826
  H     -6.81144413     -0.67102743      3.36415297
  O     -8.19838442     -3.81988015      3.99597439
  H     -9.69102175     -1.58139826      2.32602819
  H     -7.30286851      0.73109089      2.85603451
  O     -5.57960557      0.50957554      0.52931088
  H     -9.00331874     -2.93164036      2.51256475
  H     -5.06379744     -1.52254769      7.65989360
  O     -6.48058681      1.27208679      6.00910195
  H     -8.30935846     -4.71963979      4.28985794
  H     -5.03263571     -1.26486185      6.13458079
  O     -4.90945467      5.14297616      0.97401701
  H     -8.23847405     -3.25772607      4.79174723
  H     -0.88563995      2.47822289      1.63902149
  O    -10.29134725     -0.27580895      6.38579053
  H     -5.97030045     -0.34856127      0.33256757
  H     -2.14745817      3.20019576      2.17397073
  O     -4.17225342     -1.31313380      4.62683913
  H     -6.32691281      1.08345691      0.76256150
  H     -8.45576406      4.04990106      3.72908501
  O     -4.03321637      2.81057653     -0.14233427
  H     -6.79273897      0.89872900      5.16883007
  H     -9.74778244      3.27988247      3.39990596
  O    -10.02319274     -0.22073644      3.60258561
  H     -6.13620900      0.52326256      6.50923730
  H    -11.25059596      2.02740610      1.62267326
  O     -7.02348966     -1.95215282      0.30611130
  H     -4.90209046      5.84185306      0.32558375
  H    -10.38858974      1.20963088      2.61424720
  O     -3.83324268      0.78095483      2.75248066
  H     -4.64642139      4.32755285      0.51120142
  H     -6.72610170     -2.96676283      3.29296103
  O     -7.28601649      0.13072344      3.61294583
  H     -9.90166769      0.61838409      6.41832419
  H     -6.23098936     -2.33223297      1.96795983
  O     -5.59552382     -1.21897517      6.92928144
  H    -10.97772108     -0.29995441      7.04622318
  H     -8.16917339      1.94319803      6.38950563
  O     -1.83736676      2.43498328      1.65620791
  H     -3.91327442     -0.55559135      4.08764299
  H     -9.24062057      2.75928080      5.63567977
  O     -9.29578734      3.75731322      4.10436748
  H     -4.72488428     -1.84702749      4.03831414
  H     -3.60760449      4.86466195      2.38761704
  O    -10.40088427      2.00475607      2.05448016
  H     -3.20271600      2.64453714      0.32181471
  H     -3.58098951      4.01573191      3.67272813
  O     -6.05481776     -2.38262496      2.91492892
  H     -4.53993340      1.99151431     -0.07852429
  H     -5.34277069      2.39606470      5.10940896
  O     -9.11633157      2.13194481      6.36174971
  H     -9.05829016     -0.13000202      3.65766557
  H     -4.52424276      2.09152830      3.83311155
  O     -3.01112736      4.46173306      3.03079278
  H    -10.32210488     -0.29812165      4.51612448
  H     -7.34137200      2.76897925      1.94478601
  O     -4.85275289      2.81297963      4.38902176
  H     -7.87527591     -2.01867278      0.77379572
  H     -8.61682845      1.98392706      1.52998195
  O     -7.65281492      1.95944402      1.51366614
  H     -7.09451188     -2.50838526     -0.46559565
  H     -6.10972167      3.73827857      3.47028602
  O     -6.73703397      4.16490016      2.86773559
  H     -4.42304636      0.61104578      2.00594830
  H     -6.20730443      4.63778724      2.21374973
          69
 Energy    -250.61423763547882     
  O      1.62276193      0.45316266      3.60579013
  H      0.91860893      1.12399098      3.54683209
  H     -4.12759598     -1.61904132      4.77392496
  O     -2.65972804     -0.25803363     -3.24204282
  H      2.39267955      0.89397524      3.95660877
  H     -2.87909027      0.24916133      5.83621159
  O     -0.09507777     -1.08754083      5.37592920
  H     -1.91871890      0.29563047     -2.93772079
  H     -2.23872487      1.63580470      5.69505175
  O     -4.12896105     -0.87345809     -0.92110476
  H     -2.87655872      0.03409272     -4.12333135
  H     -3.63804303      0.56891188      0.08278618
  O     -1.16636682     -2.55271926     -2.33159732
  H      0.55387903     -0.62013971      4.84060170
  H     -3.03229712      0.68698086      1.50098194
  O      1.22013408     -1.10500339     -1.59495950
  H     -0.73565145     -0.42835698      5.68213378
  H     -2.96136360     -0.28779123      3.61301017
  O     -4.60240195      2.51010756      2.83592361
  H     -3.76267415     -0.63603773     -1.78212552
  H     -1.69286069      0.53050073      3.22297596
  O     -3.76207815     -3.28053686      4.29614013
  H     -3.61907750     -1.63707125     -0.61480498
  H     -2.10997039     -3.06658177     -0.90043454
  O     -0.48021950      2.10697958      3.21873111
  H     -1.67864619     -1.86185096     -2.76986342
  H     -2.01568540     -2.88003258      0.64167167
  O     -0.47891929      1.07492309     -2.31285156
  H     -0.31571501     -2.15120809     -2.11671896
  H      1.27179924     -0.25624853      1.88461130
  O     -6.33149453      0.30296892      3.35156838
  H      2.12794652     -1.32044236     -1.79418040
  H      0.22978576     -1.26771039      1.35793675
  O     -4.18677692     -0.65977607      4.90726601
  H      1.17604981     -0.93791377     -0.63891468
  H     -3.37282085      2.98359083      3.97624164
  O     -2.07958314      0.75391983      6.04682515
  H     -5.26200150      1.84098421      3.05609594
  H     -2.84393434      4.06402488      4.94649638
  O     -3.29015858      1.20408659      0.72042681
  H     -4.22960444      2.23310707      1.98837505
  H     -0.17402556      0.99053215      0.61030441
  O     -2.32353594     -0.12532070      2.90530382
  H     -4.01177223     -3.56216622      3.40808804
  H     -1.57762115      1.65652800      0.44588098
  O     -2.62096467     -3.10793940     -0.07947163
  H     -2.81734283     -3.45322807      4.39122257
  H     -0.62375887     -2.65737048      4.89548672
  O      0.84429833     -0.57212587      1.07956221
  H     -1.16328879      2.62490812      3.66349422
  H     -0.46123634     -4.18944370      5.03980310
  O     -2.63368042      3.21530950      4.56658498
  H     -0.55227896      2.24814716      2.26486043
  H     -1.54294994     -1.57582774      2.32769063
  O     -0.62247000      1.82914678      0.43308570
  H      0.18794360      0.38634939     -2.19567728
  H     -0.89143402     -2.89715043      2.79437151
  O     -0.90935335     -3.51739269      4.53420660
  H     -0.51864695      1.53860402     -1.46751565
  H     -3.90495140     -3.74049421      0.96815022
  O     -1.03440745     -2.34338471      2.01766280
  H     -6.18276062     -0.28728383      2.59087523
  H     -4.98700280     -4.76918453      1.36377152
  O     -4.59383183     -3.93958344      1.62434528
  H     -7.27174039      0.31349325      3.50943782
  H     -5.52394488     -2.27274189      1.47614604
  O     -5.84212207     -1.38159160      1.28875817
  H     -4.99705568     -0.34929280      4.48674268
  H     -5.42457019     -1.12589683      0.45711572
          69
 Ord_Energy   -250.612808    
 O   -4.67540216       6.40496254       9.02773571    
 H   -4.33646250       6.57941341       8.13650608    
 H   -4.14163494       5.68236303       9.37698746    
 O   -7.90911341       7.00024223       5.77200270    
 H   -7.71777534       6.52469444       6.59272385    
 H   -8.04109383       6.35641241       5.06639099    
 O   -7.96010923       5.17999315       3.62983823    
 H   -7.83364344       4.35299206       4.12834549    
 H   -8.64826679       5.01501131       2.99058533    
 O   -4.99704313       4.15263271       5.92529440    
 H   -5.86813164       3.83744907       5.65268660    
 H   -4.41683340       4.07566547       5.15755033    
 O   -8.52387810       8.24441814       9.50685883    
 H   -9.26629353       8.45109749       10.0674810    
 H   -8.67000675       8.70496655       8.66089153    
 O   -4.97292137       2.65007687       8.26064873    
 H   -4.37759638       3.07150483       8.89043617    
 H   -4.90012169       3.16631007       7.44217825    
 O   -3.40563440       1.70419312       3.29909706    
 H   -3.37819743       2.67616725       3.30636311    
 H   -3.05014491       1.42594838       2.45887899    
 O   -4.58733892      0.183763072       7.15103674    
 H   -4.75259686       1.01136625       7.63465738    
 H   -4.76296902     -0.530613542       7.75761461    
 O   -3.38556814       4.40595341       3.62858176    
 H   -4.03219128       5.07424307       3.35052562    
 H   -2.65934563       4.86138391       4.07158756    
 O   -7.45411921       3.03390646       5.16904354    
 H   -7.70504570       3.00485539       6.10470819    
 H   -6.97127581       2.22299433       4.94796753    
 O   -5.33658171       6.25896502       3.10311365    
 H   -6.22514534       5.89084005       3.18635774    
 H   -5.34703588       7.08558321       3.60003281    
 O   -8.63486958       9.39429092       7.04581738    
 H   -7.80855036       9.88232040       6.94472361    
 H   -8.54139900       8.60676384       6.49102402    
 O   -1.59286201       5.81032085       5.31073523    
 H  -0.939651787       6.49503994       5.19245672    
 H   -2.36645842       6.22586107       5.73066092    
 O   -5.92907906       10.4091921       6.97041416    
 H   -5.62672997       11.3019876       7.11354637    
 H   -5.79805994       9.93185806       7.80939007    
 O   -5.80127430      0.919740915       4.66661501    
 H   -5.03310299       1.13236034       4.12252378    
 H   -5.44673729      0.559175491       5.48887396    
 O   -5.76342106       8.99657440       9.29603672    
 H   -6.67739964       8.79520321       9.53260326    
 H   -5.29386711       8.15301800       9.33030605    
 O   -3.95124722       6.64620447       6.39706373    
 H   -4.38896084       5.79036570       6.26106262    
 H   -4.47223282       7.31114244       5.92779350    
 O   -7.37535238       5.95393324       8.31761646    
 H   -6.44738245       6.02951717       8.57818604    
 H   -7.85301876       6.63453054       8.80877686    
 O   -3.04935360       4.16623116       9.63906574    
 H   -2.51434326       4.04516840       8.83164120    
 H   -2.47356915       3.99206400       10.3783274    
 O   -7.74081659       3.19710827       7.88524771    
 H   -6.87507820       2.88708043       8.17985821    
 H   -7.75033855       4.14146805       8.09361553    
 O   -1.68665898       3.76797843       7.34988594    
 H   -1.52054453       4.43171501       6.67352962    
 H   -1.85731471       2.93755174       6.88026905    
 O   -2.32008171       1.45729184       5.95418644    
 H   -2.99060750      0.914414406       6.38617563    
 H   -2.57749367       1.48790932       5.02563286    
 O   -5.61830568       8.37122154       5.05474281    
 H   -5.63444567       9.17755508       5.58509779    
 H   -6.43906260       7.90094280       5.27011442    
          69
 Energy    -250.61271319057960     
  O     11.83560414     10.13356195    -14.89587054
  H     12.34796568      9.64736157    -15.55671635
  H     19.98277928      8.30050757    -14.27239533
  O     16.46188878      6.96624118    -13.31363544
  H     12.24505857     11.00305018    -14.82015985
  H     14.98126989     11.48671433    -17.37892968
  O     16.90828792     10.61107976    -11.18706046
  H     15.74341842      6.71257378    -12.72003763
  H     15.93480967     11.85575764    -16.23523718
  O     17.28352068     10.87008017    -15.44454748
  H     17.15753851      7.33614981    -12.75354656
  H     15.68104388      8.41212178    -14.06042278
  O     13.93480217      5.92546111    -16.24788441
  H     16.17244692     10.92051503    -11.73438431
  H     14.70355719      9.00947277    -15.13457408
  O     15.24830091      9.53219633     -9.10843148
  H     16.50174678     10.34868647    -10.35234311
  H     10.33889229      8.37859051    -12.76961756
  O     14.46958833      6.56834609    -11.43378857
  H     17.89289886     11.11137554    -14.73485765
  H     11.44324424      9.08640634    -13.59163173
  O     14.58828915     11.12414119    -12.66263392
  H     16.61197978     10.29341450    -15.04850160
  H     17.25139652      7.25914832    -10.19795261
  O     17.34726720      8.92679562    -17.39714472
  H     13.58120561      5.98891443    -15.34146383
  H     16.15103722      7.81295836     -9.28185808
  O     19.40069186      7.58619894    -15.79535110
  H     13.52639126      5.16083277    -16.64534995
  H     12.29055679      6.94979243    -13.54590456
  O     16.74201370      6.50387625    -15.98872081
  H     14.88052744      9.88045247     -8.29961829
  H     13.43168242      6.12804219    -12.94162340
  O     20.27238843      8.70493787    -13.43730865
  H     14.50259160      9.39717200     -9.71599848
  H     19.43111187     10.43495775    -13.26364598
  O     15.08995792     12.09661816    -16.64203777
  H     15.14793882      6.51334678    -10.74461741
  H     18.33017459     11.15044479    -12.44597079
  O     15.31969581      9.22923250    -14.42527086
  H     14.07689403      7.44694587    -11.34283754
  H     17.81379933      9.02670510    -11.47911127
  O     11.28429168      8.44706788    -12.87319972
  H     14.82730804     10.41785273    -13.28678353
  H     19.02819994      8.30033102    -12.12611715
  O     16.51662472      6.99055458     -9.63083665
  H     14.13584030     11.78835658    -13.19327183
  H     15.93321336      9.54675242    -18.25539040
  O     12.91892766      6.24749092    -13.75135086
  H     17.43355830      9.63651528    -16.74080929
  H     15.12598923      9.95446294    -19.51076312
  O     18.88079784     11.22767070    -13.23412127
  H     17.09752882      8.12169948    -16.92086709
  H     13.74180732      9.90981876    -11.62607009
  O     18.23971539      8.16389971    -11.58635249
  H     18.68398346      6.93994868    -15.79607770
  H     12.55255843      8.92825648    -11.59472121
  O     15.07961164      9.90182315    -18.55994786
  H     19.14617744      8.20048658    -16.49138745
  H     12.94952593     13.48953302    -14.78129810
  O     13.35584478      9.17859993    -11.12090961
  H     16.71084608      6.58391665    -15.02227874
  H     13.91539463     12.45870674    -15.40734883
  O     13.27976589     12.60059980    -14.68287652
  H     15.86151720      6.19894294    -16.23320495
  H     14.00615536      9.05806652    -17.31908759
  O     13.56597267      8.68427977    -16.54491202
  H     21.21834681      8.58881926    -13.39317702
  H     13.64159362      7.72231652    -16.58615282
          69
 Energy    -250.61130845167918     
  O     17.17715848      9.49715242    -10.76537640
  H     16.72640721      9.05999288    -10.02362736
  H     13.02456857      9.42259765     -9.08122073
  O     13.52689474      5.41740682     -7.23528140
  H     17.13525009     10.44384100    -10.59167371
  H     12.07731576     10.53472796     -6.92273883
  O     16.99981324     12.10289068     -9.82757369
  H     13.04550772      4.72408071     -6.79189719
  H     13.16574773      9.43725512     -6.86783627
  O     12.26563370      6.27904752     -9.44645945
  H     12.99873300      5.68015691     -8.01190565
  H     17.15854457      4.43510177    -11.51674622
  O     16.35849791      7.61634320    -12.61484676
  H     16.87820896     12.96636861    -10.21257814
  H     18.39599881      4.54504299    -10.59936306
  O     19.34477534      7.83194628    -10.57843151
  H     16.30235055     11.99466709     -9.15479594
  H     15.60577922      5.29685832     -9.67328916
  O     20.50289030      9.11627316     -8.44408026
  H     12.55963448      7.19482379     -9.54773005
  H     15.11380768      5.33496685     -8.18386872
  O     18.64152724      5.55570569     -8.94286017
  H     12.29850460      5.89383807    -10.32928833
  H     19.46044887      6.18391694    -13.77360151
  O     12.68942521      5.48433398    -12.15330293
  H     16.59385404      8.35601837    -12.03546664
  H     18.70213593      5.62442653    -12.54504455
  O     15.23088655     11.74945640     -7.81305523
  H     17.19452472      7.26048124    -12.93838535
  H     17.84676827     11.35805689     -6.42847266
  O     13.53632259      8.03706251    -12.47503393
  H     18.62324845      8.47638402    -10.64552600
  H     17.44570514     11.82754005     -5.00729948
  O     13.38771173      8.84770871     -9.76470324
  H     19.38503992      7.38728830    -11.43282027
  H     16.10623612      8.47227833     -7.86889255
  O     12.86188386     10.21970575     -7.36319991
  H     20.19313796      8.64819683     -9.23688159
  H     15.90984686      7.25000185     -8.79794337
  O     18.12160801      4.35488512    -11.50556219
  H     21.45644815      9.07769761     -8.45907765
  H     19.46823579     10.64427832     -8.05379890
  O     15.87727415      5.46697549     -8.75922807
  H     17.68346226      5.49509063     -8.80438031
  H     18.39721420     11.64216859     -8.57529561
  O     18.94124250      6.44279363    -13.01745954
  H     18.81003302      6.34802015     -9.47109511
  H     13.70889243      7.14181459     -6.39119068
  O     17.14871333     11.30890024     -5.74959070
  H     12.91501525      6.41258135    -12.35083632
  H     14.77092949      8.16541684     -5.93122703
  O     15.90417530      8.21601000     -8.77766862
  H     12.10278909      5.18928710    -12.84389794
  H     14.48340706      5.12757821    -11.72087576
  O     18.90727312     11.38608675     -7.79734504
  H     15.76235215     11.64398113     -7.01395489
  H     15.71334925      6.05753984    -11.83477516
  O     13.81984647      8.03975109     -6.05945088
  H     14.40981867     11.26564511     -7.66775892
  H     19.52314135      8.00772206     -7.18131484
  O     15.40975726      5.21483041    -11.46710844
  H     13.45385920      8.45742280    -11.60765319
  H     18.89532803      6.61757903     -7.33137199
  O     18.93813357      7.38011364     -6.74146758
  H     14.48002103      8.00172510    -12.67545883
  H     17.39228124      8.12060287     -6.22295878
  O     16.55460816      8.59362862     -6.10466578
  H     14.27637157      8.62410889     -9.45078974
  H     16.76579606      9.50693084     -5.87597767
          69
 Energy    -250.61076982454910     
  O      2.11910301     -0.58244358      2.79176781
  H      3.02075563     -0.82459939      2.98627554
  H     -3.11629800      4.56487175      0.96264508
  O     -3.07748883     -0.36098454     -3.56199724
  H      2.02173397     -0.63235884      1.82359841
  H     -0.63285985      3.74254543      0.81430546
  O     -0.00485321     -1.04539765      4.67798436
  H     -2.26785233     -0.00153113     -3.16278501
  H      0.50463144      2.94194068      1.46731268
  O     -4.58104565     -0.24783796     -1.14983509
  H     -3.09537363     -0.05814115     -4.46639200
  H     -2.03452343      1.37062938     -0.99727531
  O     -2.40201732     -2.98146866     -2.48832148
  H      0.72126655     -0.94146674      4.05037297
  H     -3.48060251      1.06533811     -0.55628664
  O     -0.28582062     -2.01038812     -1.00629246
  H     -0.28072357     -0.15747725      4.93307829
  H     -1.92017492      0.81243348      1.03310302
  O     -2.73312126      2.82349557      3.94045696
  H     -4.32711662     -1.10190321     -0.76682594
  H     -0.81825711      0.85167126      2.13398025
  O     -4.26669501     -2.25191510      3.98564768
  H     -4.26207877     -0.25788074     -2.05983061
  H     -4.58668241     -2.88506997      0.54667978
  O      0.68230265      1.80221071      2.83737494
  H     -2.99204908     -3.04523509     -1.72430298
  H     -3.06140109     -2.61975244      0.49347201
  O     -0.87270200      0.48421101     -2.10457540
  H     -2.70948863     -2.21988994     -2.99285697
  H      1.75723181      0.30585090     -0.35476378
  O     -3.97838883      0.44906596      3.24911079
  H     -0.62682010     -2.20318795     -0.12084001
  H      1.21773567     -1.14045091     -0.33361349
  O     -2.51611527      3.86978302      1.22325306
  H     -0.87805608     -2.46786330     -1.62016827
  H     -1.42896251      2.13367253      4.84895190
  O      0.26559832      3.42971378      0.66470287
  H     -3.32986614      2.07283344      3.80259516
  H     -0.57540632      2.10151504      6.13734878
  O     -2.72305501      1.63801235     -0.37371436
  H     -2.63375455      3.24361787      3.07910829
  H      0.96841358      2.52662114     -0.62385917
  O     -1.56842979      0.34618542      1.80264023
  H     -4.16869701     -1.29393613      3.89319005
  H      2.04027515      2.44536338     -1.73729539
  O     -3.85485780     -2.69908341     -0.05487958
  H     -3.37798027     -2.60543202      4.10603645
  H     -1.25370987     -3.92688917      4.62255643
  O      1.82966579     -0.53662095      0.10783439
  H      0.32195437      1.88590372      3.73003431
  H     -1.01958797     -2.41479837      4.39201613
  O     -0.65446386      1.71696710      5.26863519
  H      1.29801443      1.05805379      2.84498759
  H     -1.50730291     -2.78039965      2.30404571
  O      1.35332161      1.94547501     -1.30477905
  H     -0.08633014      1.03012400     -1.97923326
  H     -1.50926211     -1.39677091      1.60596429
  O     -1.57089956     -3.17448593      4.13062105
  H     -0.68062409     -0.37629494     -1.70186321
  H     -6.57146842     -3.45592557      2.16645726
  O     -1.52279973     -2.35288566      1.44093567
  H     -4.68881647      0.38195833      2.59337026
  H     -5.31240864     -2.72029525      2.68650398
  O     -5.86279029     -2.87837854      1.89748761
  H     -3.13821000      0.36565747      2.77642659
  H     -5.64005038      0.00165477      0.42270381
  O     -5.92155509     -0.04946696      1.34429504
  H     -2.68516812      3.12137607      0.62657173
  H     -6.06548821     -0.98864537      1.51744848
          69
 Energy    -250.60993374481015     
  O     11.93024965     11.01065959    -14.62640134
  H     12.17243314     10.38339002    -15.32192720
  H     15.25418327      5.96788587    -14.88479154
  O     15.55707806      6.79312556    -13.27519193
  H     12.60335253     11.70006238    -14.64316646
  H     16.38025171     11.52154940    -16.24102122
  O     17.57620988     10.51738876    -12.22471041
  H     15.36165689      7.62632182    -13.73463234
  H     15.39285920     11.04125670    -17.31398291
  O     17.37848901     10.59571482    -15.02189196
  H     14.97927865      6.77042440    -12.50260192
  H     14.80891379      9.83202313    -13.78543672
  O     12.22418578      6.46888819    -15.71086345
  H     17.69074496     10.60738428    -11.27046538
  H     14.27225476      9.17825915    -15.09570138
  O     15.18408721      9.52217658     -8.77130505
  H     17.74281393      9.58463603    -12.42910111
  H     11.28768942     10.22739939    -13.22278714
  O     13.83814861      7.03293827    -11.10727204
  H     16.59057683     10.03509657    -14.92972021
  H     10.06771630     10.01250414    -12.29559027
  O     14.89188882     11.18632143    -12.53328259
  H     17.64309079     10.80566648    -14.11806146
  H     18.19403644      7.58264930    -10.98343507
  O     16.63927014      7.15827747    -17.45210117
  H     11.51196254      5.89666707    -15.98330156
  H     18.07341067      8.53921497     -9.77953794
  O     15.68482881      6.70092331     -9.02147473
  H     12.08479786      6.65671062    -14.76414852
  H     12.47452249      6.90104886    -12.41253748
  O     18.63949066      8.13770420    -15.54177732
  H     15.27231109      8.56240365     -8.71813824
  H     11.46568177      7.95736853    -12.90358540
  O     14.99597280      5.80803099    -15.80380306
  H     14.44214947      9.68824602     -9.36733189
  H     17.22385048      7.35864563    -12.91606114
  O     15.61193593     11.79942253    -16.76243952
  H     14.40258168      6.78394322    -10.36489432
  H     18.44440456      7.84168237    -13.72126329
  O     15.01192703      9.18856236    -14.47749399
  H     13.66781263      7.98155844    -11.01071415
  H     18.03168318     10.92507943     -8.71662304
  O     10.96539168      9.73042368    -12.44925495
  H     15.84577523     11.06415983    -12.42160625
  H     16.76054028     10.16756762     -9.16844961
  O     18.03653667      7.60833738    -10.02990190
  H     14.73266139     11.86861125    -13.19735576
  H     15.07759389      9.35181325    -19.16112904
  O     11.84401820      7.09569574    -13.11717395
  H     16.05187072      6.64723901    -16.86558899
  H     15.65828092      8.59938698    -17.94515715
  O     18.07466932      7.81319787    -12.82875241
  H     17.08354011      6.52374971    -18.00958872
  H     12.40868779      9.79139713    -11.25212491
  O     17.66762008     10.40801043     -9.42989400
  H     15.84980395      6.03214239     -8.36253342
  H     13.85275459     10.32021667    -11.39483945
  O     15.06305798      9.32029720    -18.20708888
  H     16.55066465      6.94564774     -9.39510823
  H     14.63815376     12.48823621    -15.47822784
  O     13.28160971      9.76447867    -10.84263841
  H     18.01934360      7.75220669    -16.16963933
  H     14.09951921     13.77255395    -14.80941044
  O     14.15366247     12.82617437    -14.70466836
  H     18.38317824      9.06826186    -15.48093673
  H     13.56281937      9.13015414    -17.10882799
  O     12.93632052      9.09020784    -16.37561397
  H     14.04055506      5.93509477    -15.83017482
  H     12.65691846      8.17160038    -16.26200272
          69
 Energy    -250.60971698690804     
  O     10.82729976     10.85660569    -11.73901661
  H     10.34820648     10.51596134    -12.50525405
  H     15.39258146      7.61251574    -17.59037583
  O     13.53542972      7.34876640    -15.14462543
  H     11.67938490     11.16264806    -12.07466841
  H     18.36776462      5.40667534    -16.15403925
  O     17.63921261      9.95422477    -11.36380300
  H     13.97392549      7.02189443    -15.94197510
  H     17.41325508      5.95526101    -15.06913771
  O     17.94921726      8.93806239    -16.07983025
  H     14.22992500      7.78975721    -14.63009422
  H     16.12470178     11.90344221    -14.33616180
  O     12.22281184      9.76529669    -15.06417188
  H     16.67546508      9.96042440    -11.22749158
  H     15.77480220     13.39863486    -14.53284424
  O     15.32703312      5.87117808     -9.96011907
  H     18.02157952     10.44485354    -10.63990893
  H     15.24709553      8.83958587    -12.80121423
  O     12.69663799      6.16690504    -12.79529709
  H     17.31793693      9.13951542    -16.78368072
  H     16.09998503      9.14614085    -14.04464860
  O     14.90011802      9.80576102    -11.27367924
  H     17.98947803      7.97583243    -16.03518053
  H     10.23182330      9.01410404     -9.20976426
  O     15.90608490      9.39787292    -17.99049079
  H     12.58727274      8.87279843    -15.15628871
  H     10.77905174      9.58753355    -10.54032022
  O     14.77827785      4.37437499    -12.12763438
  H     11.29923037      9.67218942    -14.80173556
  H     10.94560958      6.77620746    -12.53119039
  O     17.32413170     10.66105029    -14.09926741
  H     16.15967015      6.32160955    -10.16601560
  H     10.25401217      7.66911981    -11.47777383
  O     15.19759929      6.73382834    -17.23915250
  H     14.63660231      6.54584751     -9.95685664
  H     16.26278119      6.84454033    -13.50515937
  O     17.72175539      6.08677146    -15.98169909
  H     12.92009636      6.50936862    -13.67290954
  H     16.05923834      5.35940903    -13.08661150
  O     15.38976539     12.52890062    -14.46584026
  H     13.30890260      5.44343817    -12.61477553
  H     17.52640652      6.66698627    -11.83563472
  O     15.52105920      8.48205651    -13.65485224
  H     14.34542266      9.10799385    -10.89672392
  H     17.74378252      8.01783754    -11.12549656
  O     10.75040554      8.79232235     -9.97802129
  H     14.32555927     10.39081044    -11.78801732
  H     13.44707547     10.61914504    -16.17714235
  O     10.14540597      7.28997818    -12.35855709
  H     15.95658276      9.72520673    -18.88471805
  H     14.60862339     11.60817545    -15.95014893
  O     16.69951672      5.98036716    -13.45537488
  H     15.28531580      9.97891434    -17.51625464
  H     12.42768767      8.07094106    -10.20500664
  O     17.63391960      7.07413189    -10.96694160
  H     14.76970564      3.43928171    -11.94335029
  H     13.07295089      7.22583664    -11.33394159
  O     14.23127413     10.99892768    -16.59484593
  H     14.98020807      4.82804362    -11.28762329
  H     13.97995486     11.85454739    -13.43158605
  O     13.27025309      7.73321047    -10.53343628
  H     17.63084890     10.39732141    -13.22313455
  H     12.96212117     10.72208866    -13.69724365
  O     13.32863848     11.28761477    -13.00080258
  H     17.72967427     10.09422469    -14.77492061
  H      8.79263386      9.40441156    -14.30972857
  O      9.67495227      9.43346091    -13.95021847
  H     16.03468761      6.40668297    -16.88866934
  H      9.79757719      8.61533947    -13.43531865
          69
 Energy    -250.60954299213466     
  O     14.48459936     12.13613179    -12.33502423
  H     14.26907972     12.58318341    -11.50707906
  H     11.53044867      5.13565105    -10.75226476
  O     17.24851258     10.00121784     -7.61701844
  H     15.26887643     11.60526959    -12.14766517
  H     13.55875832      6.10767322    -13.92613133
  O     16.45539777      6.02150646    -10.66174755
  H     17.08834585      9.11599707     -7.26983118
  H     14.99005612      6.65687804    -13.68401462
  O     13.09168498      4.77554336    -10.11991275
  H     16.40590231     10.30578133     -7.98396950
  H     11.49761632     11.34709147    -11.08562063
  O     18.57706612      7.04425794     -9.16275031
  H     16.12221068      5.23647340    -11.11271424
  H     10.91292404     11.03462612     -9.68999589
  O     16.96931124      7.20392965     -6.97715025
  H     15.83575783      6.21003001     -9.94140705
  H     19.65424943     10.33082144     -9.70969615
  O     16.48481560     10.35435286    -11.28667293
  H     13.59360085      5.28353622     -9.47107085
  H     18.33869535      9.95644643     -8.98445744
  O     13.59500897     13.03592925     -9.73037994
  H     13.73496872      4.43327173    -10.75326704
  H     14.12404534      7.26050014     -8.56848040
  O      9.66732845      7.96666130    -10.92308247
  H     18.75803542      7.93011765     -9.49932368
  H     15.40382897      6.70380075     -7.88099331
  O     14.92447690     10.69189000     -8.98141125
  H     17.97396790      6.62660016     -9.79369852
  H     12.62575854      9.74701082    -12.23547397
  O     13.26656737      8.18683147    -11.63949447
  H     17.35776985      6.79183186     -6.20984961
  H     12.98578314     11.17716753    -12.68612644
  O     10.68109835      5.32302750    -11.19161990
  H     17.60928433      7.10063041     -7.70525202
  H     11.22739117      7.32911930    -13.64034374
  O     14.49460328      5.86690204    -13.93690037
  H     17.37706080     10.23871281    -10.93763285
  H     11.34495682      6.04309764    -12.77051389
  O     11.27764078     11.74375326    -10.23161735
  H     15.91101768     10.43371418    -10.51024757
  H      9.68611356      9.36530774    -14.21583102
  O     18.84438518      9.83732831     -9.80970177
  H     13.45650397     13.91742076     -9.39580901
  H     10.92253901      9.62291007    -13.32443150
  O     14.71554261      6.49551073     -8.52512898
  H     12.71415434     12.63904282     -9.85855205
  H     10.05515632      8.92037927     -9.53855957
  O     12.24689459     10.55721596    -12.60818174
  H      9.97653810      7.05253821    -10.95656822
  H      9.67583265      9.42020190     -8.12302017
  O     11.80155346      6.58108800    -13.43173624
  H      9.75739241      8.32009002    -11.81557524
  H     14.84994319      4.61848120    -12.78063779
  O     10.25394021      8.95872155    -13.56639743
  H     14.23674216     10.01589696     -8.91534369
  H     15.31343865      3.18192119    -12.43508175
  O     10.35958067      9.45959076     -8.78598782
  H     14.48975558     11.53901069     -9.14105499
  H     12.13477973      8.90489476     -8.76747605
  O     15.05597642      4.01280710    -12.04561375
  H     12.76212010      7.55593530    -12.16565681
  H     13.07901337      8.46053942     -9.91908433
  O     13.04264360      8.65049094     -8.96732567
  H     14.18488210      8.12902242    -11.93814539
  H     16.17325279      7.31316253    -11.90603734
  O     15.84715006      7.96505894    -12.54414449
  H     10.13964876      4.54596982    -11.08087428
  H     16.13811647      8.83237720    -12.23123355
          69
 Energy    -250.60922271798100     
  O     13.69055277     11.13013323    -14.52714559
  H     14.36162856     11.72561064    -14.88177005
  H     20.86428225      7.97858578    -14.23078842
  O     16.88189680      6.57203823    -13.42938287
  H     13.74464076     10.33346061    -15.07256926
  H     17.86434787     10.60322336    -17.18941974
  O     19.10512820     10.06253156    -12.00743575
  H     17.66011116      6.63949533    -12.86540732
  H     16.50677272     10.35027733    -17.87365829
  O     19.13591688      9.51715453    -16.36673121
  H     16.90376038      7.35733862    -13.99899598
  H     17.58501050      9.03510726    -15.45717121
  O     15.35363245     10.31286602     -9.48521486
  H     18.90653158     10.06305366    -11.05950422
  H     16.84330299      9.65758740    -14.25315193
  O     14.55024815      7.34545394    -12.19347894
  H     18.36307573     10.51062252    -12.43856739
  H     18.56864057      6.27247947     -8.90270902
  O     16.89349241     11.15057647    -13.21038328
  H     19.73673836      9.75517477    -15.64928323
  H     18.50472899      6.91343763    -10.30577445
  O     17.03221742      6.60146198    -17.50444752
  H     19.38694586      8.63042070    -16.65962200
  H     12.25245521      6.30365470    -14.24327636
  O     15.27335102      7.43574860     -9.55628149
  H     15.01473808     10.34628301    -10.39512905
  H     13.52445475      6.86243692    -13.56694574
  O     19.63575632      6.82165874    -16.89985744
  H     14.83014211     10.92759568     -8.97683037
  H     20.27903485     10.01441337    -13.33576986
  O     15.50049371      5.36675066    -15.54318518
  H     14.67250208      7.27734427    -11.23562391
  H     21.60368893     10.45625022    -13.99552103
  O     20.65322475      7.03672443    -14.21402610
  H     15.37508123      7.03337441    -12.59479411
  H     19.07909154      8.19518145    -11.95971044
  O     17.04326525     11.03674388    -17.45943232
  H     16.08391868     10.88189637    -12.75275101
  H     19.73431630      6.99172831    -12.67328752
  O     16.84383652      8.90182837    -14.85391520
  H     16.64283938     11.74769011    -13.92739315
  H     17.24633971     10.05162869     -9.41606789
  O     18.09012267      6.91019427     -9.42672441
  H     16.51419029      7.32149427    -17.87748132
  H     18.18312318      8.83800929     -9.27744141
  O     13.12290770      6.64738637    -14.42628905
  H     16.45463875      6.12450506    -16.89036977
  H     14.88550908      8.81354952    -17.55753181
  O     20.82777204      9.91845391    -14.13262503
  H     16.19727808      7.16715616     -9.47393094
  H     14.80466787      8.81094085    -19.10188547
  O     19.14673956      7.23039717    -11.94096481
  H     15.25790672      8.38227255     -9.36888920
  H     14.50990921      9.19265823    -12.19499641
  O     18.17424789      9.78716926     -9.45154455
  H     18.69634377      6.67726245    -17.11708165
  H     14.09844685     10.53318687    -12.88694900
  O     15.41679233      8.85416695    -18.37128833
  H     20.14091552      6.34574045    -17.55367158
  H     16.36307748     12.03598361    -16.20099003
  O     14.54051881     10.15581237    -12.11162559
  H     14.61453428      5.63457477    -15.27879314
  H     16.06244487     13.47682497    -15.73066970
  O     16.00850441     12.56324263    -15.46307505
  H     16.05982616      5.57749479    -14.78200932
  H     15.17311895      8.75696387    -15.52765758
  O     14.27493231      8.73993864    -15.89498018
  H     20.28671568      6.83700244    -15.08386950
  H     13.80540747      8.01194923    -15.46972453
          69
 Energy    -250.60667034711474     
  O     -3.93734837      4.57064040      0.91051756
  H     -4.16920278      3.69979650      0.53460986
  H     -1.29393804      3.89851805     -2.19198905
  O     -1.95458976      1.09793227      2.93110356
  H     -4.71660156      5.11543774      0.84695482
  H      1.39326330      1.87164012      3.11356861
  O      0.73907886      5.31424857      0.67674538
  H     -2.69391744      0.63389779      2.52099295
  H      2.15514375      2.89832413      2.23145294
  O      0.56757123      0.14702052      3.32499161
  H     -2.23111645      2.00472447      3.14025093
  H      0.63844853      1.40586258     -0.16125203
  O      2.67051332      3.29150118      0.45179027
  H      0.50420481      5.36177454      1.61130974
  H      1.50018042      0.13560201     -0.11209031
  O     -1.70967066     -0.72250315     -0.36377163
  H      1.38786310      4.59908158      0.59488067
  H     -0.02613782     -1.30399426      0.48897271
  O     -1.43607474     -0.57474100     -3.15215763
  H      0.66054169     -0.27446189      4.17646309
  H      0.80108447     -0.88949345      1.72335282
  O     -2.49345239      3.72497438      3.20827413
  H     -0.35606085      0.44615786      3.26153578
  H      0.35657388      5.44638462      4.15207627
  O      3.98368954      4.37546413     -1.78548801
  H      3.24597439      3.66683865     -0.22541483
  H      0.64007040      4.15798439      3.34223055
  O      0.68764736      5.44229124     -4.10228686
  H      2.34230798      2.45346942      0.09220026
  H     -2.36767359      4.62786157     -0.04615685
  O     -3.20354121      1.68384239     -2.62138586
  H     -1.47542951      0.20360116     -0.19302348
  H     -0.80294755      4.81349210     -0.08982584
  O     -1.11131595      3.54234094     -3.07531173
  H     -1.65383686     -0.83708499     -1.32011533
  H     -4.03863775      1.98330759     -1.03601168
  O      1.66691847      2.79417192      3.05858675
  H     -0.67695043      0.02992372     -3.21014755
  H     -4.30816637      1.33716475      0.34599732
  O      1.46911778      1.02425189     -0.49051525
  H     -1.39300743     -1.14127745     -3.91798281
  H      1.39701800      6.11652746     -0.91242519
  O      0.86838237     -1.30202416      0.85228053
  H     -1.67120533      4.22736509      3.26666246
  H      2.64192626      5.74935345     -1.74017976
  O      0.07441528      4.95133940      3.38724857
  H     -3.00882087      4.10076973      2.48407171
  H     -4.42863297     -1.01281621      1.42497572
  O     -1.56280469      4.40827549     -0.53087491
  H      3.52894979      3.91867340     -2.51597841
  H     -3.13569634     -0.57832574      0.69417161
  O     -4.40448936      2.15307511     -0.15479125
  H      4.89823447      4.45997204     -2.04111613
  H      1.93978303      3.98816455     -4.06767713
  O      1.81970285      6.25525369     -1.76916651
  H      1.03998391      5.80681013     -3.27025158
  H      1.98244550      2.49784631     -3.68257305
  O     -3.82552117     -0.28247237      1.31319028
  H      0.63752712      6.16568718     -4.72097466
  H      0.95647899      1.18978266     -2.21206546
  O      2.53883433      3.27505235     -3.81194560
  H     -2.76418953      0.85717013     -2.84679513
  H     -0.01384562      2.09212455     -3.04977682
  O      0.56769914      1.31699189     -3.09032215
  H     -2.59522122      2.37844925     -2.90584125
  H     -1.25853816      1.74186507      1.30006122
  O     -0.95974247      1.84567008      0.38918144
  H     -0.59957207      4.21573074     -3.53867005
  H     -1.27040320      2.69944739      0.06658365
          69
 Energy    -250.60559839241427     
  O     10.30342049     11.31728915    -11.16849413
  H     11.13058532     11.30830628    -10.65420429
  H     11.87569630     11.80163861    -17.99319238
  O     14.25370915     10.47180573    -12.73082800
  H      9.59199245     11.36587979    -10.53510460
  H     14.46904053     13.38595129    -14.29751828
  O     17.34963064     12.56078093    -13.61388468
  H     15.03492223     10.72694877    -12.22663665
  H     14.63627621     14.05686550    -15.68043451
  O     10.72385806     12.55138609    -13.66138509
  H     13.85064772      9.71046865    -12.29231410
  H     18.39936552      9.99702257    -15.74153634
  O     13.46809111     14.83008859    -16.89997862
  H     17.58517300     11.77322590    -14.11969429
  H     16.92399819     10.44927973    -15.70318631
  O     15.43537634     11.11111339    -16.47172970
  H     16.67013741     13.01593641    -14.12845703
  H     14.41718068     14.37075205    -10.15349732
  O     14.21024097      9.02641540     -9.65528384
  H     10.86697847     11.76739111    -14.21387035
  H     13.99846063     13.45807652    -11.33108170
  O     13.33790504     13.02689985    -12.93346367
  H     10.46676998     12.22547729    -12.78920848
  H     16.90054426      8.38556819    -12.40488820
  O     13.77330837      9.36297870    -15.17449745
  H     12.58210256     14.59565960    -16.56873501
  H     17.13173713      8.81466908    -13.88133775
  O     16.97591184      9.04955539    -10.62212763
  H     13.40744160     15.71587734    -17.24696332
  H     10.99390654     10.66950048    -16.15893843
  O     12.61242510     11.30747119     -9.75128697
  H     14.81510937     10.45566864    -16.11683364
  H     12.05971975      9.95277301    -15.29511472
  O     10.94720575     11.62833405    -17.75583687
  H     15.30953782     11.92943409    -15.96768775
  H     14.69745798      5.96893719    -14.35040484
  O     15.08226218     13.48998951    -15.03924836
  H     15.14761826      8.95390924     -9.86112069
  H     15.37769090      7.26140048    -13.83190076
  O     17.66877852     10.16186952    -15.14943053
  H     13.75728525      8.50817996    -10.33734037
  H     13.59317016     13.20669763    -17.92422656
  O     14.41539077     13.46501631    -10.45216470
  H     12.40739738     13.01935772    -13.18950655
  H     14.25048970     11.81841875    -17.81250253
  O     16.80039238      8.10215983    -13.32189179
  H     13.59730466     12.09520673    -12.84632740
  H     10.67842033      9.34696493    -13.70054105
  O     11.16318296     10.31664537    -15.27690157
  H     13.98696325      9.81337316    -14.34067422
  H     10.45531963      9.73424211    -12.22387161
  O     14.52851153      6.87808432    -14.12072782
  H     13.95415934      8.42900393    -15.01574000
  H     16.80105839     12.01480733    -12.04026556
  O     13.53725135     12.29918994    -18.24965427
  H     16.86334999     10.00553732    -10.76656747
  H     15.81780473     12.27428566    -10.85046498
  O     10.65158215      8.98846060    -12.80481951
  H     17.71198886      8.94785900    -10.02345776
  H     10.85072651     13.22531270    -16.68568797
  O     16.38942461     11.61365572    -11.25835646
  H     13.16180069     10.51999944     -9.62551616
  H     10.81975821     13.64006302    -15.20335051
  O     11.02730958     13.96384843    -16.08906595
  H     13.21873578     12.04960673     -9.83884981
  H     12.17318581      8.26494603    -12.24659669
  O     13.07002661      8.03569580    -11.95783813
  H     10.48279529     11.45052734    -18.56923008
  H     13.48281385      7.51408898    -12.65482632
          69
 Energy    -250.60506913146585     
  O     15.22002838     12.50428615    -11.90262175
  H     16.00976726     12.12280466    -11.50219882
  H     11.00505008     10.61486610     -9.95622593
  O     16.87634373      8.50696852     -7.63597913
  H     14.61367505     12.64897127    -11.16606809
  H     16.51740700      9.77000615    -15.59684001
  O     17.29288102      6.90948598    -11.03744847
  H     17.65461498      8.65674498     -8.18492440
  H     16.04732316      9.37667428    -14.17793160
  O     14.30233228      4.87648717    -10.95786863
  H     16.28992794      9.25691114     -7.80312911
  H     18.43271393      8.06894408    -10.22198130
  O     17.08950606     10.86904046    -10.50581252
  H     17.11639211      6.23123325    -11.70158765
  H     19.80062327      8.57223607     -9.70971134
  O     13.55946610     12.68679425     -9.54772754
  H     16.62227567      6.80819462    -10.34447829
  H     15.93995236      7.12543437     -8.40248094
  O     10.11335640      7.30537235    -11.29516625
  H     14.66744123      5.35147989    -10.20051245
  H     14.57365787      7.16904233     -9.10366486
  O     15.03902715     10.46412320     -8.67130699
  H     14.98047946      4.89307416    -11.64320218
  H     12.51804931     10.98222158    -13.51427791
  O     13.62160849      8.46378693    -12.04774192
  H     16.39403444     10.73831757     -9.84257296
  H     12.50160685      9.78313036    -12.55497406
  O     11.73857107      5.00485407    -11.78186741
  H     17.83167458     10.31649458    -10.23425107
  H     12.18128508      5.99744065    -13.27693588
  O     15.09323461      6.67761355    -14.79910970
  H     13.31044681     13.52858237     -9.17562038
  H     11.70318201      7.24503174    -14.06875348
  O     11.34373081     11.39956940    -10.40251825
  H     12.73601634     12.25231462     -9.83405819
  H      9.63621137      8.77932828    -14.52493156
  O     15.76082951      9.45848525    -15.10445782
  H     10.64623667      6.50520208    -11.38027354
  H     10.80528882      9.26606350    -13.63504540
  O     18.87069535      8.78395013     -9.73127893
  H     10.05966770      7.69116197    -12.17759091
  H      9.85715736      8.80354124     -8.52754693
  O     15.38396686      6.64315503     -9.03128957
  H     14.41709402      9.75068477     -8.87280247
  H     10.32624101      8.34555653     -9.92982144
  O     11.92500598     10.43944801    -12.97390309
  H     14.56027156     11.28657293     -8.83733064
  H     16.72672851      4.38262410    -13.41737107
  O     12.46143081      6.66696907    -13.91547945
  H     13.34364735      7.78486720    -12.67363253
  H     15.92945335      5.68697757    -13.65119374
  O     10.29697056      8.48096524    -13.90598069
  H     14.53894468      8.69678972    -12.24038756
  H     14.53836664     10.96652515    -14.64200660
  O     10.53426799      8.93805271     -9.18492354
  H     11.37324357      4.12528710    -11.73259371
  H     14.46344609     12.00268642    -13.49112641
  O     16.35059601      5.13491937    -12.96806022
  H     12.64298785      4.95070217    -11.42418074
  H     13.36098343      8.40653512    -10.31818492
  O     13.98341707     11.65282622    -14.25807337
  H     15.28574208      7.59148006    -15.03769796
  H     12.35501423      8.54897850     -9.14561258
  O     13.28345136      8.39477207     -9.35101274
  H     14.13932718      6.63017216    -14.64448221
  H     16.52768118      9.81626878    -11.86411281
  O     16.30872040      9.08791539    -12.46039481
  H     11.44244404     11.16201065    -11.33443559
  H     16.67427591      8.29042607    -12.05729793
          69
 Energy    -250.60443551582640     
  O     10.24120471     10.25561612    -11.09340162
  H      9.44713662     10.09522675    -10.59065883
  H     12.60761566     11.85922525     -9.49316206
  O     14.58363501     10.75429471    -12.52288454
  H     10.93045534     10.51598394    -10.45612390
  H     10.45936626     10.65195308    -18.31385793
  O     16.97323111     13.60185847    -13.70880849
  H     14.41000885      9.90113285    -12.10614656
  H     11.66595189     11.43442896    -17.74419876
  O     15.95883135      7.90624823    -13.69515859
  H     15.48216237     11.01871800    -12.28726880
  H     13.72545084     14.40144112    -15.44021821
  O     10.80084707     11.86877103    -13.32378667
  H     16.12357068     13.90043364    -14.05644888
  H     14.69560118     13.19984299    -15.44213057
  O     12.27289088     14.82065011    -16.51934250
  H     17.38306309     13.09474363    -14.42005687
  H     18.08716893     10.93553894    -14.97596851
  O     15.28235355     11.78759101    -16.46879886
  H     15.37498207      8.34139338    -14.33191828
  H     18.79461891     11.68166629    -16.12707774
  O     14.50876818      9.31625839     -9.07212156
  H     16.75487447      8.44844933    -13.67152264
  H     13.40548414     13.42745912    -10.87250053
  O     13.20448389     13.06320471    -12.59885201
  H     10.49458179     11.37053721    -12.55590699
  H     13.38199610     14.34820018     -9.63046557
  O     14.24767561      9.70219529    -15.05043661
  H     11.59503763     12.34793700    -13.04859864
  H     15.13799495     12.43824647     -9.56258925
  O     18.22395078      9.76114454    -13.55873202
  H     11.91501746     15.64796466    -16.82930982
  H     15.47659627     10.96191985     -9.27900179
  O     12.21969507     10.97998597     -9.40747540
  H     11.51890449     14.28637199    -16.21033079
  H     11.21354387     10.00990716    -15.91923647
  O     10.86282502     10.94042705    -17.49975157
  H     16.23428260     11.74780698    -16.32665973
  H     11.26249575     10.47927206    -14.44850210
  O     14.41308574     13.96577850    -14.92124496
  H     14.91051099     10.99688424    -16.04759032
  H     12.83710574     13.34643919    -17.64671831
  O     17.98485534     11.65121012    -15.62247546
  H     14.67173768      8.67381657     -8.38611247
  H     13.88649311     12.21783488    -17.62391717
  O     13.54153806     13.45044464     -9.91018331
  H     14.44987843      8.82254217     -9.90833629
  H     11.16619694      8.87639024    -12.03772668
  O     15.87329939     11.81830402     -9.48257877
  H     13.58302570     13.49267436    -13.37677645
  H     11.60935711      8.59353662    -13.48188510
  O     11.48030979      9.73813820    -15.03243559
  H     13.64465898     12.19929165    -12.53130838
  H     16.84163735     11.73715280    -10.96760975
  O     13.04335148     12.47976703    -18.01734931
  H     14.40234614     10.11510700    -14.18678871
  H     17.11503211     12.40716125    -12.37642304
  O     11.72646263      8.29867213    -12.57062886
  H     13.28854906      9.62361370    -15.13643306
  H     10.30661736     12.40852366    -16.37046573
  O     17.16466749     11.58323543    -11.86734795
  H     17.89384671     10.37277163    -12.87572546
  H     10.32162912     12.77424088    -14.87285640
  O     10.27080984     13.15507070    -15.75995116
  H     19.01251186      9.35674122    -13.20451102
  H     14.87651657      7.91866174    -12.21812667
  O     14.24914040      8.17280322    -11.52622976
  H     12.95289980     10.38119457     -9.22120586
  H     13.35045579      8.09367143    -11.88392182
          69
 Energy    -250.60439126335510     
  O     15.90428659     12.05054630    -11.48635743
  H     16.52599734     11.70679532    -12.14305826
  H     16.47501628      7.93259181    -15.97183531
  O     14.90426317      7.43052714    -15.11566327
  H     16.09823919     11.58045966    -10.66726896
  H     16.10314280      3.91717358    -12.15517406
  O     13.65816135      6.17964490    -10.90735006
  H     14.63865118      6.62230986    -14.65768874
  H     16.44734077      2.85907221    -13.23568423
  O     18.20310964      5.95163457    -10.07198761
  H     14.12715687      8.00581803    -15.10294547
  H     18.38246109      7.85778309     -9.95998647
  O     16.60364311     11.09170623    -16.04241477
  H     12.72193645      6.39784785    -11.01827842
  H     18.98451828      8.94195525    -10.88837165
  O     11.19688612      7.18752619    -11.65511216
  H     14.10177407      7.01685624    -10.70822512
  H     16.95825760      7.53546338    -12.75703522
  O     12.54080382      8.83399513    -14.73054822
  H     18.24309565      5.95711084    -11.04425141
  H     15.82079079      8.04681639    -13.67501125
  O     14.79053123      8.67586304    -10.67007478
  H     18.98519143      5.49444302     -9.76926181
  H     14.34371642     12.22376839    -12.18356261
  O     19.39777616      7.31199646    -14.80210505
  H     16.74237466     11.79325623    -16.67290934
  H     13.11746315     13.13538040    -12.43151093
  O     11.45056536      6.22714288    -14.38684051
  H     15.66541976     11.13159399    -15.78264328
  H     13.43978193     10.42920010    -15.22159554
  O     18.02849095      5.98979034    -12.80326802
  H     11.08164143      6.87131526    -12.55852522
  H     13.85542505     11.63728892    -14.36318997
  O     17.31992532      8.34200363    -16.20232404
  H     11.49131220      8.10507451    -11.73358702
  H     16.52893019      4.95737600    -10.18509013
  O     16.26558171      3.78626431    -13.10920396
  H     12.02506419      8.01978495    -14.76051404
  H     15.01060841      4.97254511    -10.50747551
  O     18.50056977      8.80824902    -10.06087779
  H     12.55435210      9.10947531    -13.80071832
  H     14.67667620      4.68960172    -13.53780885
  O     16.32851217      8.25566645    -12.88005116
  H     15.36885680      8.55900764    -11.44040049
  H     13.86460787      5.65441382    -12.64270715
  O     13.47281915     12.27105136    -12.61923133
  H     15.26502904      9.24642426    -10.05566010
  H     19.70354283      8.58026687    -13.29567229
  O     14.03432658     11.18887524    -15.19934053
  H     20.11901576      7.15386833    -15.40505869
  H     19.06356089      9.90221449    -12.86141967
  O     15.80510813      4.42055447    -10.52893617
  H     18.67520847      7.70078164    -15.32739233
  H     12.75198024     10.59840107    -12.20342668
  O     13.95007149      5.32334856    -13.54994211
  H     12.29142862      5.79903607    -14.15678861
  H     13.33427721      9.33389774    -11.53896447
  O     19.67100635      9.20850645    -12.56715793
  H     10.93580855      5.58117782    -14.86429187
  H     16.63600847     10.63984561     -8.33461625
  O     12.59310160      9.65531537    -12.07230609
  H     17.49607217      5.24046012    -13.09674289
  H     17.25642946      9.85855683     -9.51760765
  O     16.48650329     10.39031336     -9.24203553
  H     18.55682856      6.31750299    -13.54382575
  H     17.27524634     10.95622734    -14.30123293
  O     17.48154262     10.74935006    -13.38222151
  H     17.14313396      9.28986316    -16.24260443
  H     17.08278963      9.88419240    -13.19990433
          69
 Energy    -250.60405067510197     
  O     14.61981797     11.07396891    -13.84074869
  H     14.76376431     10.88649925    -14.77621580
  H     14.69143422      4.88721514    -15.00547124
  O     12.74505592      6.04552747    -17.14562866
  H     15.46320736     10.95303644    -13.37613264
  H     16.23490145      7.76455270    -10.45456170
  O     13.77582725      6.39034927    -11.67556529
  H     12.67253240      7.01300165    -17.06963942
  H     15.44021074      6.61863999    -11.11050524
  O     17.91548167      4.65076111    -11.14205906
  H     12.27902124      5.79963225    -17.94077796
  H     14.21663375      9.22813973    -13.47177250
  O     11.56408008      5.15037261    -14.62878461
  H     12.98176248      6.57219050    -11.16042187
  H     14.58062346      7.99769785    -14.31646370
  O     12.20396481     11.46450670    -12.66765966
  H     13.82008325      7.08300390    -12.35478093
  H     15.61148617     10.49999346    -17.17652180
  O     12.55712841      8.74079003    -16.84889310
  H     18.33763790      4.41460613    -10.31964059
  H     15.46926084      9.29453401    -16.21700013
  O     19.02683200      5.47830856    -13.66425455
  H     17.38289572      5.44313479    -10.96382384
  H     10.98323315      7.23612075    -11.39634216
  O     11.46093364      9.26024325    -14.31888425
  H     11.87085542      5.43945680    -15.49477956
  H     10.80213504      7.06607846     -9.86867018
  O     16.36274133      3.00384268    -12.90311026
  H     12.31518045      4.69818656    -14.22325106
  H     12.46020199      8.94626476    -10.52434981
  O     17.45413246      3.85510709    -15.43715203
  H     11.94540166     12.38003313    -12.60158941
  H     12.68588325     10.31787750    -11.20536668
  O     15.06228202      5.18766682    -15.85014019
  H     13.07732136     11.44875142    -13.09891454
  H     14.73958251      3.72826861    -13.20195792
  O     16.33734519      6.90496842    -10.88102333
  H     13.34846390      9.28990554    -16.81714633
  H     13.89936585      4.96840719    -12.78041047
  O     13.98880486      8.30161799    -13.61760152
  H     12.02608107      8.99438903    -16.08179527
  H     10.71175298      6.31629181    -13.53131292
  O     15.06077400     10.13593011    -16.48782607
  H     18.78837377      5.11024799    -12.80362373
  H     10.52759501      7.84619028    -13.48745984
  O     11.41954434      7.35981342    -10.53231782
  H     18.58106348      4.92821517    -14.32044203
  H     14.75392101      9.56333556    -10.17518148
  O     13.06007917      9.70146707    -10.56562822
  H     12.27547815      8.78156253    -14.09675040
  H     15.84117337      9.93521884     -9.14179947
  O     14.00317797      4.29675219    -13.46856421
  H     11.50005139     10.07749188    -13.80918020
  H     16.61301552      7.78004309    -14.76700275
  O     10.37540810      7.03904926    -12.98099548
  H     16.88068720      3.48101556    -12.24318363
  H     15.75537159      6.85396936    -15.69511387
  O     15.70482224      9.49317447     -9.97586224
  H     16.81336187      3.14725955    -13.74437818
  H     17.25395972      9.57283549    -12.79817301
  O     15.98714914      7.77247942    -15.50664768
  H     17.70986456      3.31747896    -16.18295376
  H     16.52592433     10.14868746    -11.56594366
  O     16.83615404     10.37242893    -12.45250849
  H     16.63381351      4.30836256    -15.69066469
  H     17.11535363      7.48736353    -12.48542349
  O     17.58973364      7.77345473    -13.27702464
  H     14.31145439      5.41461499    -16.41390366
  H     18.22584077      7.07081063    -13.47595070
          69
 Energy    -250.60277285587372     
  O     -3.39130436     -0.37752034      2.70091654
  H     -3.00982919      0.20799082      3.36697783
  H     -2.47702991      3.49757231     -0.61560396
  O      0.99008817      2.89033682      2.85901259
  H     -3.70400290      0.19806575      1.98351213
  H     -7.01447007      1.98440594      1.77347763
  O     -1.52040684     -1.45121744      1.03052097
  H      0.10054743      3.27939923      2.84516229
  H     -6.97766175      1.72669969      0.22509318
  O     -4.38566196      1.33660282     -2.06130842
  H      1.58643528      3.58546237      3.12724743
  H      1.29993417      1.63960159      1.44490311
  O     -2.38760761     -0.43206669     -2.90864477
  H     -0.68062817     -1.58257025      1.48590235
  H      0.72637808      0.91325181      0.19863424
  O     -4.13836603      1.34480550      0.72426730
  H     -2.15808975     -1.14804665      1.69461219
  H     -4.06966814      2.16305031      4.53170104
  O     -7.11326684      1.27492244      3.48707565
  H     -4.30177813      1.17177896     -1.10895881
  H     -4.70167406      3.45347093      3.97725958
  O     -6.95054539      0.51137765     -1.11054246
  H     -3.74549699      0.75913602     -2.49434404
  H     -1.70481720      3.54698707      1.75343029
  O     -2.28997186      1.55041436      4.36213907
  H     -2.13987919     -0.90546135     -3.69744637
  H     -2.38438595      4.30388737      2.91799043
  O     -3.84243342      4.01245279     -1.80543207
  H     -2.74706870     -1.09093508     -2.28336291
  H     -4.34240218      5.89493417      3.41312284
  O     -6.03298722     -1.96721805     -0.02924708
  H     -3.47714016      2.04456145      0.65553012
  H     -4.48873888      4.93853684      2.20618287
  O     -1.99260652      3.06689785      0.09877500
  H     -5.00202160      1.75206266      0.87572875
  H     -5.09573677     -1.06234837      2.76546628
  O     -6.74261822      2.35507829      0.92470224
  H     -6.32926343      1.72984081      3.84536708
  H     -6.49103421     -0.43048331      2.90465270
  O      1.42931843      0.88228263      0.86005255
  H     -7.80288830      1.36250345      4.13967107
  H      0.47675539     -0.20788718      3.79488065
  O     -4.91633607      2.59365799      4.35757300
  H     -6.22030801      0.78837355     -1.67715688
  H      0.63767922      1.31257379      3.94214487
  O     -1.62297961      3.75345119      2.69808228
  H     -6.69982311     -0.36075272     -0.77832060
  H      1.24080706     -0.59987145      1.77903093
  O     -4.08559622      5.03614040      3.08778915
  H     -1.44169917      1.11899812      4.54068022
  H      1.73867005     -1.95129818      2.34761528
  O     -6.03212820     -1.20945417      2.56978241
  H     -2.08366603      2.29972650      3.78735957
  H     -4.24391933     -2.04276177     -0.66446625
  O      0.26540984      0.53349258      4.37416521
  H     -4.09981911      3.09597561     -2.00485305
  H     -2.73784288     -2.01683419     -0.27367618
  O      0.98329332     -1.37021701      2.31737603
  H     -3.88333995      4.49605835     -2.62628673
  H     -1.15599056     -0.04070049     -0.08445378
  O     -3.34823288     -2.07232037     -1.02128186
  H     -6.54296165     -2.76991123     -0.10925226
  H     -1.27931237      0.36309708     -1.56829098
  O     -0.92923292      0.65588919     -0.71928712
  H     -6.05856054     -1.71774594      0.91158458
  H     -4.80030325      4.54310493     -0.19415324
  O     -5.22104906      4.64625577      0.66551171
  H     -1.57976026      2.26313250     -0.25106395
  H     -5.87856067      3.93773424      0.73223059
          69
 Ord_Energy   -250.602341    
 O    2.37863684       11.6774082      -11.1735544    
 H    1.70016754       11.6099644      -11.8597956    
 H    3.18742371       11.9668932      -11.6140556    
 O   -1.54740906       12.5166302      -9.52366447    
 H   -2.32366109       12.0011606      -9.27377415    
 H   -1.60724521       12.6406755      -10.4791155    
 O   -3.56814718       10.4903746      -11.8454752    
 H   -3.74381804       10.5976963      -10.9024801    
 H   -2.98225975       11.2157307      -12.0929193    
 O    2.87673259       8.36214161      -8.09821796    
 H    2.46372557       8.99547100      -7.49916267    
 H    2.47685504       7.50910616      -7.88968277    
 O  -0.414232880       8.87973499      -12.8122692    
 H   -1.29549515       8.53159809      -12.9880924    
 H  -0.370677382       9.04523468      -11.8555889    
 O    3.26876664       9.02723122      -10.7144842    
 H    2.92905974       9.92596436      -10.8113928    
 H    3.21142983       8.78476906      -9.77875614    
 O   -3.77757525       10.7785797      -9.02757359    
 H   -3.32025790       9.95293331      -8.79014969    
 H   -4.51652145       10.8659897      -8.43150425    
 O   0.626427889       6.43705273      -10.2678642    
 H  -0.324517131       6.37474537      -10.4534388    
 H    1.09318590       6.54422426      -11.1028595    
 O   -2.28818750       8.55257511      -8.59257317    
 H   -1.81419218       8.30676270      -7.78472233    
 H   -1.59786952       8.83928394      -9.21005344    
 O    4.68944311       12.1145067      -12.7289934    
 H    5.03134966       11.2050047      -12.6554575    
 H    5.44608974       12.6932631      -12.7565832    
 O    3.65287590       8.36327934      -14.5965204    
 H    3.80078626       7.71406794      -15.2796469    
 H    3.05062032       7.95630503      -13.9521055    
 O   -3.07411146       8.02861786      -12.8383846    
 H   -3.74379468       7.79021931      -13.4732590    
 H   -3.31626010       8.90565395      -12.4882603    
 O  -0.513115168       7.97151756      -6.58489180    
 H    6.19292818E-02   7.24367476      -6.85160685    
 H    6.71608895E-02   8.73504162      -6.47407484    
 O   0.890052855       11.5215158      -8.84753609    
 H    1.48971283       11.7279110      -9.57664490    
 H    3.88760008E-02   11.9530020      -9.02507210    
 O    1.33821285       10.1743631      -6.53294039    
 H    1.58154666       10.7604275      -5.82103777    
 H    1.17398238       10.7335873      -7.31209660    
 O    1.96860361       7.47793770      -12.5891027    
 H    1.13259625       7.92955685      -12.7779665    
 H    2.43382978       7.99766922      -11.9127178    
 O    1.30980051       6.03406191      -7.67536974    
 H    1.06661797       6.08072948      -8.61702824    
 H    1.47437203       5.11573315      -7.47908735    
 O   -2.10393023       6.52481747      -10.5902882    
 H   -2.35622740       7.07791948      -9.83944702    
 H   -2.49122405       6.94420195      -11.3679647    
 O   0.530396342       11.4055538      -13.2833633    
 H    1.27604592       11.3794699      -13.9007130    
 H   0.181012645       10.5042610      -13.2209196    
 O   -9.03090313E-02   9.21845627      -10.1282864    
 H   0.330276370       9.94462395      -9.65359402    
 H   0.398407400       8.40286255      -9.96144772    
 O    2.84179378       11.1329784      -14.7148609    
 H    3.10452890       10.2061129      -14.7751770    
 H    3.51107359       11.5615482      -14.1671982    
 O    5.32682133       9.48500156      -12.5504799    
 H    4.76743031       9.23221397      -11.8016691    
 H    4.93542337       9.04974270      -13.3176813    
 O   -1.73646367       12.6341267      -12.3731899    
 H   -1.93437254       13.4155235      -12.8839130    
 H  -0.913920462       12.2664633      -12.7370453    
          69
 Energy    -250.60165059314750     
  O     18.06054880      9.71177585    -15.17626123
  H     18.76617326      9.26496146    -14.67889171
  H     20.22477833      4.47636160    -13.44108470
  O     21.40282162      7.84010954    -11.54662158
  H     18.46530678     10.46712598    -15.59782027
  H     16.44682785      9.89216134    -14.17170536
  O     15.41946494      7.63049877     -9.43743116
  H     20.72892978      8.12195878    -10.90221423
  H     16.19200789      9.68580569    -12.66302191
  O     13.35459823     10.67528158    -12.34378127
  H     22.24458191      8.13361288    -11.20805556
  H     18.64029377      7.19872495    -13.16367468
  O     11.93369449      8.30796199    -13.14123374
  H     14.69009052      8.26606476     -9.39398492
  H     17.30833353      6.45119207    -13.44040317
  O     18.27388927      5.18247067    -10.54145153
  H     15.13221143      6.94573644    -10.05819487
  H     15.03625404      6.74276697    -14.28062231
  O     14.29714804      5.94192728    -11.35553543
  H     13.19624608     11.61042350    -12.45034163
  H     14.92295529      8.19226863    -13.72956297
  O     20.77271440      5.01111209    -11.80633415
  H     14.18490892     10.48236063    -12.80806401
  H     17.69781932      6.63167054     -7.37806584
  O     16.14452613      3.80239164    -11.70256769
  H     12.71077438      7.87277344    -13.52152917
  H     16.90893502      7.14967154     -8.60232198
  O     17.21835041      3.22594038    -14.11746417
  H     12.23352833      9.19960988    -12.92614512
  H     20.33548072      5.55088647    -15.37969954
  O     20.01266746      8.19787470    -13.93289795
  H     18.15192780      5.69157463     -9.73235609
  H     21.31740588      6.07148156    -16.45927837
  O     19.87811396      4.31182088    -14.33101697
  H     18.12787786      5.78618743    -11.28711371
  H     13.27587577      9.77026951    -10.60963259
  O     15.74937314      9.87366220    -13.50670650
  H     14.40862757      6.41560881    -12.19273752
  H     12.62210168      8.49642799    -10.04352683
  O     17.84443729      6.84954651    -12.74384944
  H     13.38598803      6.10578578    -11.08177046
  H     18.67594631      8.96849326    -10.35538130
  O     14.47120911      7.34036649    -13.77019423
  H     19.98718562      4.93515627    -11.24735020
  H     19.03056269      8.03318720     -9.20197075
  O     17.78750151      6.86216081     -8.29913829
  H     21.07990479      5.91773340    -11.69783766
  H     16.90249260      6.17022097    -15.60529443
  O     20.58259685      6.33171643    -15.91181017
  H     16.88660684      4.13486976    -11.17876958
  H     16.63432786      4.84853097    -14.78982412
  O     13.22749193      9.21606537     -9.82183049
  H     15.42726438      4.43504965    -11.57263095
  H     17.91698639      8.07793648    -16.27806074
  O     19.42720114      8.61412181     -9.86181612
  H     17.00579871      2.33246588    -14.37319834
  H     18.87124255      6.88841232    -16.51638516
  O     16.37755196      5.77219885    -14.89511857
  H     16.81422928      3.37042622    -13.24253710
  H     10.83117122      6.63599496    -10.62044058
  O     17.95727822      7.18065124    -16.62857781
  H     20.33557069      7.57863371    -14.60306928
  H     11.67523409      7.41382376    -11.65908103
  O     11.70797556      6.96721904    -10.79351960
  H     20.58856712      8.13644338    -13.15964077
  H     16.42676919      8.64419963    -10.59376198
  O     17.01801132      8.99564968    -11.27199711
  H     19.01861570      3.89017556    -14.22990214
  H     17.29753269      8.23248544    -11.80421869
          69
 Energy    -250.60146586895166     
  O     13.80042007      8.58441892     -8.56871070
  H     14.74130568      8.66780862     -8.37210425
  H     15.91079775      8.07439815    -15.62106145
  O     12.78742715      8.64670644    -15.14104101
  H     13.62921767      9.19938830     -9.29398808
  H     17.07968490      3.84224784    -13.76227597
  O     16.16300873     12.45493078    -12.23617127
  H     13.59706383      8.21616227    -15.46276690
  H     18.43468168      4.19604934    -14.40598703
  O     15.21133103      4.48185948     -9.57632447
  H     12.11146988      8.47844271    -15.79390136
  H     12.89261031      6.65689336    -10.80722619
  O     16.66114641      8.80433292     -8.29046301
  H     16.39688545     11.70421864    -11.67181978
  H     13.39902015      7.02879843     -9.40285322
  O     13.45390074     12.53872294    -12.30375663
  H     16.45517993     12.22938415    -13.12723360
  H     18.19144799      6.36783890    -16.37708013
  O     17.24371157      8.05887445    -12.45277765
  H     14.47803611      5.10266964     -9.74266198
  H     18.47463400      7.72743358    -15.71463860
  O     13.69792244     10.05849626    -11.00166760
  H     14.89355963      3.84825027     -8.93898859
  H     13.43977231     10.42547629    -14.89584261
  O     18.64156325      5.79887079    -11.63324300
  H     16.93051296      7.91330903     -8.57799531
  H     13.57507648     11.68577488    -13.99861829
  O     17.33813767      9.03424481    -15.03107488
  H     17.11867836      8.97827561     -7.47234204
  H     12.60302195      8.13395397    -13.28867314
  O     16.62967252      5.25030158    -16.73041290
  H     14.42463718     12.61110523    -12.24076322
  H     13.04403313      8.63935589    -11.89006934
  O     15.18934006      7.45817379    -15.81850362
  H     13.09511100     13.38348389    -12.04689191
  H     15.93204170      4.20392916    -11.26586050
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  H     15.80097983      5.07025587    -12.53642756
  O     13.25174399      6.27838217     -9.99892055
  H     17.86587617      7.39317002    -12.13437430
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  H     14.66461517     10.04742318    -10.94550203
  H     16.63853318      5.68931005     -9.22586871
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  H     19.66675267      5.92654810    -14.73183655
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  H     17.87244812      5.22923128    -11.78817359
  H     20.88702724      5.08563116    -14.29101522
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  H     19.24236829      5.64008548    -12.37162839
  H     14.24019197      6.93476077    -12.81409530
  O     17.35361695      6.33309953     -9.14670350
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  O     19.98815762      5.30189698    -14.05755188
  H     17.15813232      9.98190391    -15.04771442
  H     16.81027955      9.40451766    -11.36224928
  O     15.04813992      6.54611305    -13.17544820
  H     16.57526890      4.67032072    -17.48526787
  H     16.60385733      9.76173819     -9.86808467
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  H     16.89954459      4.69862054    -15.97380235
  H     16.71829750     12.38613330    -15.64217210
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  H     15.58860721      6.68244180    -16.23384168
  H     15.57806273     11.55843692    -14.99920583
          69
 Energy    -250.60055022888298     
  O     -2.03334542      0.63501406      0.94075331
  H     -2.34238918      1.21072487      1.65225159
  H     -0.46444639     -2.41480460      0.76325245
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  H     -1.67479525      1.19399684      0.24006882
  H      0.60799198      1.08859553      3.45190794
  O     -5.29554687     -1.78942875      1.18714261
  H      0.02812760      2.96752358      2.32479795
  H      1.66812990      0.25297323      4.20818720
  O     -1.47503940     -5.40125681      0.33048666
  H     -1.16608204      2.60246732      3.23482493
  H     -3.79867446     -0.71556881      4.16942067
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  H     -4.16009463     -0.04372921      5.51356430
  O     -4.05722095      2.37097562     -1.11623933
  H     -4.89460316     -1.32690220      0.43523682
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  O     -3.38000682     -4.82503075      2.18671874
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  H     -3.33748168      1.55079343      3.63644376
  O     -2.08264369     -1.97834973     -2.09213530
  H     -1.12332455     -6.27643594      0.46882696
  H      1.70788807      0.56024981      1.67197423
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  H      1.52234542      1.71484698      0.67369559
  O      1.23764247     -0.86575257     -1.31776138
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  H     -0.12592034      3.06258639     -0.13659028
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  O     -0.34518228     -2.86635146     -0.08441948
  H     -4.46859601      2.63378198     -0.28416587
  H     -5.61743859      2.04199805      1.78902015
  O      1.06131941      0.22641588      3.47343053
  H     -4.18097930     -4.77377748      1.64924026
  H     -5.90917966      3.54592903      1.57860133
  O     -4.08678018      0.11889770      4.57665377
  H     -3.34241502     -4.00182687      2.68781117
  H     -0.13426099     -1.00301236      2.74811618
  O     -2.98228651      2.21588477      3.03141020
  H     -1.62901148     -1.26171374     -2.55078871
  H     -1.22322064     -0.68925974      1.70103829
  O      1.88897387      0.82759776      0.76395852
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  H     -6.19030664     -4.99004781     -0.02891824
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  H     -1.06788002      1.63756686     -1.87501665
  H     -4.81140012     -4.40886405     -0.42571743
  O     -5.23390328      2.88032807      1.47347907
  H     -2.26794294      2.44013797     -1.26065805
  H     -3.32363760     -0.05223613     -0.09632646
  O     -0.83145916     -1.41099984      2.22088562
  H      0.85677190     -1.65049914     -0.90538324
  H     -3.40661363     -1.00223665     -1.30677844
  O     -5.48397220     -4.42911453      0.27921718
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  O     -6.07687284      0.53018292      2.53788456
  H     -0.15779529      0.34683762     -3.85857218
  H     -3.96905220     -1.99377479      2.43957812
  O     -3.34374554     -2.12116333      3.16943297
  H     -0.60575983     -3.78527666      0.05068568
  H     -2.44982093     -1.93138312      2.84832790
          69
 Energy    -250.59752467353928     
  O     -2.58806319      4.49794254      3.91450045
  H     -2.46940407      4.15555034      4.80871665
  H     -2.22721425     -3.13837452      3.17127177
  O     -2.87078079      2.57993921      1.95800180
  H     -1.73056587      4.86050409      3.66156552
  H      0.13049382     -1.28791506      2.36281354
  O     -1.80391687      3.45725210      6.48400916
  H     -2.88459339      1.74001306      2.43912830
  H      0.30506482      0.20335286      1.97129600
  O      1.94073867     -2.41153122      0.35614652
  H     -2.93364153      3.28389133      2.61866698
  H     -3.33699196     -1.39929991      2.62662890
  O      0.78314243      0.51138085     -1.72745399
  H     -1.93057625      3.87031202      7.33384402
  H     -3.42306814     -2.06986918      1.24561661
  O     -0.62105476     -1.59547407     -0.55334949
  H     -0.88596403      3.64317847      6.21269365
  H     -0.47084246      0.95764878      5.27956334
  O     -2.64340153      0.17467429      3.26542914
  H      1.73331098     -2.67659276      1.26201509
  H     -1.64055216      1.65140870      6.01754019
  O     -3.42403402     -1.39464875     -0.56382002
  H      1.08998270     -2.34722430     -0.09843776
  H      1.40955493     -2.41617905      3.79712499
  O     -0.78131135      2.68801810     -1.67486081
  H      1.61377498      0.44035793     -1.24470339
  H      0.15700215     -3.17058968      3.25776569
  O      2.99735336      0.07349305      0.04035426
  H      0.25419675     -0.25109947     -1.45236523
  H      0.60432393      4.28156855      4.63841491
  O     -0.74656852     -1.90645800      5.99009577
  H     -0.55922171     -1.18216024      0.32220173
  H      1.04269484      2.94203665      5.27985926
  O     -1.58574622     -3.56274495      3.76768034
  H     -1.56574939     -1.69023489     -0.71751109
  H      0.98190984      2.15582992      1.57893617
  O     -0.32862102     -0.52425745      1.98858210
  H     -1.85255527     -0.09507687      2.76976993
  H      2.12880256      1.11229702      1.30610568
  O     -3.37301007     -2.26234685      2.18855643
  H     -2.33535536      0.40240843      4.15199978
  H      0.94954265     -1.70638860      5.71062393
  O     -1.36306323      0.81403480      5.62762181
  H     -3.33039308     -0.42482078     -0.55045173
  H      2.44530177     -1.86266464      6.08570821
  O      0.99614587     -2.76520923      2.99728540
  H     -4.14446071     -1.58852622     -1.15762840
  H      1.46616976      1.29489775      3.78033112
  O      0.69015490      3.81911572      5.48162636
  H     -0.19202619      1.91546084     -1.75495668
  H      1.62387593      0.29052888      4.95795719
  O      1.56524420      1.50084968      1.98775902
  H     -0.78608098      3.12272141     -2.52292454
  H     -0.00248645      4.52729282      2.24894686
  O      1.86102185     -1.54551976      5.40213306
  H      3.91921494      0.02143412     -0.19742265
  H      0.41264853      5.95697490      2.65676411
  O      1.29208137      1.16518259      4.72368651
  H      2.68902242     -0.84207071      0.16793192
  H     -3.15552904      1.78953005      0.29593771
  O      0.09517663      5.12747079      3.00573857
  H     -1.17403410     -2.41781163      5.29291360
  H     -2.35580512      1.75022785     -1.01534138
  O     -3.06117093      1.30376765     -0.53450473
  H     -1.11834009     -1.01409819      5.96236964
  H     -1.21711573      2.98552730      1.37761916
  O     -0.35785165      3.25855591      1.02032863
  H     -1.93347830     -4.42904126      3.96437807
  H     -0.43188668      3.18661079      0.06067659
          69
 Energy    -250.59665410272405     
  O      2.69460977     -0.46397279      5.47237057
  H      2.30890746      0.14502350      4.83005848
  H      1.82596639     -3.56003863      2.48900520
  O     -0.54680946      2.12680135      4.78288488
  H      3.30018461     -1.03130097      4.97532987
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  O      0.39491276     -5.65000941      5.52251385
  H     -0.66681252      1.73198161      5.66535495
  H      4.56616675      1.15702658      1.95357995
  O     -2.95993837     -1.01321432      7.60306624
  H     -0.84874364      3.02927831      4.84647088
  H      0.10446923     -1.62127860      2.19004022
  O      3.48572282     -3.50531253      8.30941303
  H      0.48036621     -5.17712848      6.36289275
  H      0.96633910     -0.94020606      1.11851631
  O      4.31083096     -1.95405602      3.76754048
  H     -0.44091816     -5.36641585      5.13784795
  H      2.78234218     -2.34691286      0.93347010
  O      4.30244230     -3.95135365      5.77967072
  H     -3.90661690     -0.97298611      7.70985702
  H      3.21949858     -0.87006246      0.93560197
  O      2.95372248     -0.71182610      8.23066260
  H     -2.79095792     -1.36827247      6.71372791
  H     -1.34469182     -0.12015052      2.59279637
  O     -0.96639936      1.01582939      7.20760710
  H      4.08087093     -3.94466113      8.91091595
  H     -1.57960047      0.85514018      3.75985633
  O      0.69899920      0.21957536      9.35071227
  H      3.82415004     -3.66843191      7.41015299
  H      0.92462165      1.51870033      3.84988246
  O     -0.80331258     -2.19268163      9.09502912
  H      4.42490315     -1.16604905      3.22298229
  H      1.11086566      0.38901761      2.80767829
  O      2.75955230     -3.76653370      2.32939774
  H      3.78633656     -2.57553750      3.24027029
  H      1.24963883     -1.53934834      5.64335766
  O      4.03949857      0.39721355      2.18935837
  H      4.48761932     -3.25167934      5.14178190
  H      0.64901292     -2.79828620      6.34133554
  O      0.23705739     -0.77784975      1.73304327
  H      3.83131450     -4.64011950      5.29394526
  H      3.01920755     -6.77174709      4.21062084
  O      2.62279791     -1.49560466      0.50735030
  H      3.18690866     -1.64307782      8.32443088
  H      1.92983070     -5.78490032      4.68396948
  O     -1.97606617      0.11414840      3.28529893
  H      2.94470573     -0.52969106      7.28074072
  H     -2.23176508     -1.21075597      4.45797065
  O      1.59359718      1.01077403      3.37351768
  H     -0.34277147      0.82774526      7.91993894
  H     -1.22272160     -1.92006362      5.39662522
  O      0.52578697     -2.17545758      5.61336298
  H     -1.70816432      0.41693752      7.35110871
  H     -2.18514317     -3.62667049      4.60058904
  O      2.80731834     -5.84344709      4.26593373
  H      1.54142525     -0.09410695      8.97511457
  H     -2.84150126     -4.90719214      4.03831885
  O     -2.16063773     -1.88658678      5.14843311
  H      0.91471698      0.70003847     10.14519116
  H      0.19367944     -3.42674699      8.28613721
  O     -2.00015045     -4.52006220      4.26629178
  H     -1.61032193     -1.87732452      8.67185098
  H      1.67659521     -3.85861387      8.02794844
  O      0.76798004     -3.96553291      7.72018025
  H     -0.28383701     -1.39884163      9.27640779
  H      0.41245813     -2.85680950      3.96836080
  O      0.18256554     -3.18312431      3.08360162
  H      2.91311305     -4.57179117      2.83837317
  H     -0.57609459     -3.76039055      3.21525450
          69
 Energy    -250.59599924982695     
  O     10.49978323      9.57677415    -11.51198390
  H      9.80690668      9.34906089    -10.89816289
  H     11.24085044     11.97228897    -16.57806700
  O     14.82402300     10.17887225    -13.29579061
  H     11.34428257      9.38706425    -11.06529973
  H     15.30563352     13.29211649    -14.50039031
  O     17.72590494     12.64821193    -13.05418961
  H     14.30796083     10.86904199    -12.86192754
  H     14.60348315     14.52545603    -13.89263373
  O     16.13402931      6.84197888    -13.94933715
  H     15.69031016     10.18296556    -12.87042209
  H     17.24801417     12.29747753    -16.02075732
  O     11.33043435     11.76626170    -13.03527851
  H     16.93246150     13.19220541    -13.14069301
  H     18.69802913     12.65005410    -16.42806604
  O     13.23937650     15.61833644    -14.51881979
  H     18.03102038     12.49422633    -13.95703961
  H     15.48614137     11.01117896     -9.04876942
  O     15.51233153     12.50027853    -16.17926349
  H     16.00959363      7.06504742    -14.87942819
  H     15.90218702     10.62103797    -10.48487974
  O     12.93918108      8.98687032    -10.45691087
  H     15.27170403      6.95143806    -13.52574974
  H     18.24207865     10.25252007    -15.71586872
  O     13.73005145     12.32776322    -11.87095602
  H     10.91362082     11.07980790    -12.50018035
  H     18.34185456      9.01200271    -14.78603708
  O     14.34783395      9.99966747    -15.95330081
  H     12.13788302     12.02549702    -12.56685196
  H     11.61501222     10.98211714    -14.67644848
  O     18.29967271      8.17925752    -13.04793119
  H     12.40058411     15.12955805    -14.43453523
  H     12.58258256     10.35063202    -15.74137754
  O     11.07280748     12.82299725    -17.01786960
  H     13.03824182     16.53747149    -14.36548453
  H     16.84836969      8.39430749    -16.37370710
  O     15.20541327     13.79963350    -13.68243484
  H     15.10251748     11.62494865    -16.19503549
  H     16.27861659      7.40470462    -17.42157742
  O     18.18456749     12.12760108    -15.81692775
  H     14.89304268     13.11906470    -16.59363546
  H     12.73022100     13.76756201    -17.12436217
  O     15.14119123     10.84535076     -9.92258177
  H     13.67184424      9.56464431    -10.22001841
  H     13.47352478     14.81771123    -16.27478249
  O     18.16900441      9.29088866    -15.69313098
  H     13.26812998      8.39061950    -11.14429815
  H     10.84355640      8.59540005    -13.15537229
  O     11.65932924     10.57504854    -15.55482329
  H     14.21422300     11.99581084    -11.10534364
  H     11.25922117      8.87229044    -14.61160973
  O     16.05417717      7.89125088    -16.63308863
  H     14.30727629     12.90557387    -12.39174276
  H     17.63398960      9.60273760    -12.10347138
  O     13.57701924     14.22137036    -17.02637884
  H     14.55345439     10.03936356    -15.00486082
  H     17.44690068     11.16455574    -12.15290965
  O     11.23036903      8.18312943    -13.93810436
  H     14.82615380      9.23935580    -16.30434129
  H     10.86427423     13.78732675    -15.37248151
  O     17.13295199     10.34346172    -11.74044681
  H     18.98137332      7.56428774    -12.79040169
  H     10.97297294     13.36863395    -13.89578258
  O     10.97237682     14.13894596    -14.48016708
  H     17.52836599      7.64674768    -13.31761226
  H     12.85837197      7.68392639    -13.27076508
  O     13.72035163      7.67338316    -12.82981633
  H     10.42377355     12.65665921    -17.69651179
  H     14.11061395      8.54485374    -12.99537946
          69
 Energy    -250.59556054008823     
  O     11.01300204      9.29786022    -13.53934441
  H     11.50076089      8.58105290    -13.09329211
  H     18.51426946     11.43696240    -14.35438584
  O     17.19294000      8.19050689    -14.23326808
  H     10.08491078      9.09682012    -13.45213535
  H     14.21764436      9.51692080    -14.56519581
  O     16.97093797     11.62584246    -11.43508734
  H     17.27219502      7.97565642    -15.17060720
  H     14.83006316      9.94008717    -13.17047776
  O     14.11026331     12.61304630    -14.15987368
  H     16.39611020      8.73739733    -14.15544588
  H     13.05873058      7.45579853    -11.62259838
  O     14.42875545      6.97144031    -16.21810235
  H     16.84446180     12.43350798    -11.94535284
  H     12.94885313      6.68034294    -12.94323675
  O     16.41427772      8.05596613     -8.43338767
  H     16.10611065     11.18990922    -11.38157870
  H     19.61539812      9.22838498    -11.62503284
  O     16.32688724      6.37811029    -12.33955569
  H     14.42605066     11.69982933    -14.16161480
  H     20.87935684      8.80875035    -10.84210404
  O     14.59860690     10.28635422    -11.45072805
  H     14.86675629     13.13900218    -13.87190628
  H     14.06750553      4.53331519    -13.73209722
  O     18.10215998      6.60979640    -10.27984450
  H     14.32917357      6.41216341    -15.43898352
  H     14.96785034      5.69666002    -13.26051971
  O     16.34154593     10.60484987    -16.52148487
  H     13.77046847      7.67533874    -16.13408164
  H     16.91481534     14.61584714    -13.32311967
  O     16.85706386      7.84149219    -16.99800295
  H     16.37611743      8.03278911     -7.48107346
  H     17.15773493     13.21837773    -13.94363714
  O     18.10823017     12.11647809    -14.90542458
  H     16.92040964      8.85262286     -8.67465401
  H     18.27288581      9.39002975    -13.40388656
  O     15.00501107      9.86047777    -14.11894839
  H     16.98789007      6.31122452    -11.63459391
  H     18.11998325     10.60257586    -12.42496816
  O     12.50280058      7.34393276    -12.40371130
  H     16.69985699      6.96181220    -13.01487989
  H     17.63486357     10.77768243     -9.89092546
  O     19.92644555      8.76792499    -10.82785423
  H     14.50795285      9.41557904    -11.04488771
  H     18.72657924      9.71492517     -9.67000214
  O     14.18072163      5.47939406    -13.78812675
  H     13.72809263     10.70069996    -11.54937804
  H     13.66739979     12.16684964    -16.00636345
  O     16.58994575     13.71933756    -13.32997938
  H     18.78969586      7.25974014    -10.47170340
  H     14.55494713     11.36271931    -16.96742730
  O     18.75891740     10.08825402    -12.94228845
  H     17.58384869      6.98171271     -9.55573692
  H     15.17584730      7.23819356    -11.16058046
  O     17.96014235     10.12864385     -9.25377261
  H     15.90241478     10.42765770    -15.67736746
  H     15.10308877      7.77684497     -9.71360192
  O     13.63381082     11.56832655    -16.76397852
  H     16.58342622      9.73605420    -16.86550325
  H     12.72934509     12.05120203    -12.90881260
  O     14.59445400      7.68653854    -10.52990701
  H     17.19195440      7.33438016    -17.73185285
  H     11.77536499     10.84217031    -12.71515775
  O     12.30186075     11.49833354    -12.24164825
  H     15.97193215      7.48830211    -16.78888766
  H     12.07817930      9.26596781    -15.05789249
  O     12.81906821      9.17223121    -15.66904872
  H     17.61644178     11.65336472    -15.59604806
  H     12.94052146     10.00620029    -16.14798540
          69
 Energy    -250.59543342098360     
  O     15.75377720     13.91055725     -9.70310883
  H     15.39095985     13.21000530     -9.14684774
  H     13.42772009     13.40734504    -15.60258644
  O     13.72431180     11.74974346    -16.01578541
  H     16.70593969     13.92928339     -9.54184383
  H     12.72069379     13.40517703    -12.34575381
  O     16.97819434      9.25034536    -10.89725106
  H     14.56726888     11.49401657    -16.40870736
  H     12.78070879     14.38584396    -13.52308685
  O     16.72064828     16.56958001    -12.64469031
  H     13.47378848     11.01896262    -15.43623716
  H     20.64863560     12.84538501    -13.90347269
  O     13.57395340      9.65023356    -14.14420666
  H     16.82446104      8.42959434    -11.37875678
  H     19.41742513     13.50586094    -13.23954476
  O     16.27480917      7.24344168    -12.78924698
  H     17.35329131      9.86781737    -11.54449061
  H     14.64370998     11.02222607     -8.81188641
  O     16.36671770      9.35407925    -14.58050963
  H     16.83476445     17.51542859    -12.67038436
  H     14.41426228     11.57679249     -7.38697419
  O     15.87153345     12.83157563    -12.31230231
  H     15.92003983     16.39628954    -12.11472536
  H     16.84545180     11.63723934    -16.57261857
  O     14.33167703      9.94053664    -10.17135127
  H     14.52467880      9.57348949    -14.30330638
  H     16.55370409     10.77919223    -17.82896601
  O     17.69855214     12.94450603    -15.86521057
  H     13.36538362      8.96121319    -13.49756026
  H     16.81855000     11.24057851     -8.46503535
  O     13.41606608     11.61957739    -12.17345271
  H     16.32543241      7.89620582    -13.50769067
  H     17.56451227     10.35343111     -9.47531654
  O     13.32775117     14.34468688    -15.35564924
  H     16.64156945      6.43158325    -13.13048338
  H     18.73551378     14.33417207    -11.20895051
  O     12.66673115     14.34348344    -12.56610446
  H     16.88930233      9.94132238    -14.01453304
  H     18.15469554     15.34167237    -12.23969351
  O     19.69985202     12.78732436    -13.83455699
  H     16.37694485      9.74879385    -15.46146234
  H     17.10292010     11.65691429    -12.64226215
  O     14.96409899     11.66971324     -8.16039736
  H     15.83262583     13.28907764    -11.46311873
  H     18.54797606     11.47939942    -13.17291654
  O     16.31387231     10.89405368    -16.91367353
  H     15.88250676     13.48664022    -13.02258186
  H     13.82434251     15.43182603    -11.67994740
  O     17.68613846     11.08723486     -8.85981999
  H     13.95029968     10.53323813    -10.83725823
  H     14.86884978     15.30829069    -10.54680404
  O     18.84282190     14.68019844    -12.10374140
  H     15.23231519      9.72191203    -10.45071688
  H     14.42279802      7.48133124    -12.23221321
  O     17.78157462     10.99383920    -12.84960353
  H     17.09733490     13.57801866    -15.44786727
  H     13.65653351      8.40299162    -11.27018981
  O     14.54369236     15.90347285    -11.23474535
  H     18.45786515     12.87913772    -15.27552163
  H     19.13793897     13.87101034     -8.79133216
  O     13.54501604      7.83541555    -12.04195862
  H     13.34785593     10.98385075    -12.89775944
  H     18.32897596     12.65817943     -9.30168288
  O     18.53651414     13.59318573     -9.47803767
  H     14.27650813     12.05517678    -12.27651173
  H     16.18281503     15.40542515    -13.98100217
  O     15.96348314     14.60574831    -14.47553656
  H     12.77986075     14.74703439    -16.02412676
  H     15.04893042     14.66128309    -14.78269930
          69
 Energy    -250.59412830263449     
  O     17.46702497     11.77703590    -17.67465246
  H     17.35197770     11.23943932    -18.45508732
  H     17.05116673     14.99342575    -17.54953447
  O     18.84617758     17.48932879    -14.61530545
  H     18.41912203     11.78898609    -17.48479062
  H     14.01129884     13.28579136    -10.87256200
  O     20.04921028     11.00185598    -14.42404067
  H     17.98119359     17.12532803    -14.37708849
  H     14.61555320     13.40574484    -12.29193196
  O     16.58641775     15.66723559    -11.30910461
  H     19.06364856     18.13658207    -13.93342703
  H     20.31375605     16.32858329    -14.37233184
  O     14.48068870     15.40681230    -15.86349746
  H     19.29577582     10.57027737    -14.00581919
  H     21.25869701     15.31372067    -15.07105079
  O     17.18237576     11.86113516    -11.28806228
  H     20.22874986     11.79358766    -13.89535024
  H     18.08514220     14.64567595    -10.97556235
  O     14.35419830     13.24686949    -13.99261394
  H     16.51857701     15.92969811    -12.23862444
  H     19.45687995     14.62933901    -10.25975835
  O     20.16476539     11.67956111    -17.01696170
  H     15.92069320     14.97982495    -11.18285698
  H     16.67611835     11.53084561    -15.99673860
  O     21.09466739     14.43289363    -16.66727313
  H     15.07453729     15.04494438    -16.54501635
  H     16.77497202     10.97812215    -14.53109898
  O     18.32340251     17.62440019    -10.23376185
  H     13.77218350     15.84681798    -16.32546326
  H     21.33989456     16.74717668    -11.14772458
  O     20.17264411     13.40297756    -13.08346741
  H     17.84085785     12.50412943    -10.99646603
  H     21.58931413     16.67858840    -12.68108084
  O     16.26613280     14.44317577    -17.68596688
  H     16.33770961     12.32740924    -11.27107873
  H     20.36638891     18.48374460    -12.21225283
  O     14.82177328     13.46579428    -11.34136227
  H     14.29108270     13.98329924    -14.61153152
  H     19.88971199     19.95150520    -12.33479882
  O     21.07261069     15.74721325    -14.22536179
  H     14.95352699     12.60719498    -14.40147852
  H     20.75192136     16.21158543     -8.68579497
  O     18.84235341     14.08120530    -10.76291757
  H     20.14021277     11.40648778    -16.08107509
  H     19.68464175     16.65987210     -9.71532967
  O     16.34488426     11.63392051    -15.09604951
  H     20.87037199     11.18452044    -17.42626196
  H     17.50661334     10.67051131    -12.48959775
  O     21.58536559     17.27296688    -11.91818561
  H     20.29863860     14.92356507    -16.91590451
  H     17.51121566      9.16688288    -12.85364933
  O     19.59153813     19.04756790    -12.39246915
  H     20.85869820     13.50577329    -16.77568172
  H     17.39060741     13.12934052    -14.78109826
  O     20.43404985     16.05270040     -9.57053863
  H     18.59830178     18.17424762    -10.97765912
  H     18.70315605     13.67404319    -14.13307393
  O     17.65874638     10.03661727    -13.21483629
  H     17.61317853     17.05130771    -10.55224818
  H     18.69168432     16.48481646    -16.26142071
  O     17.94279343     13.91262347    -14.67745881
  H     19.76845654     13.61042513    -12.23050022
  H     18.39765747     14.98472479    -16.09532498
  O     18.58078999     15.66757259    -16.76228963
  H     20.58715534     14.21133256    -13.41614582
  H     16.99249026     15.31100745    -14.17561759
  O     16.49288282     16.12941413    -14.01771313
  H     16.59543050     13.53989666    -17.74025800
  H     15.72769656     16.07780286    -14.60112378
          69
 Energy    -250.59392676880773     
  O      0.82961811      4.89414722      3.74920481
  H      1.70694628      4.52048990      3.89627439
  H     -0.61552779      3.97406772      0.00116136
  O      1.54514736     -0.44144927     -3.36858854
  H      0.21876744      4.14455531      3.74753545
  H      2.74628356      5.50418998      1.27980164
  O     -0.69865105      2.57022547      3.41758653
  H      1.65974668     -1.12714926     -4.02141178
  H      3.36111074      4.34555164      0.47871251
  O     -4.24948489      1.69200370      0.42273874
  H      1.72682784     -0.84938010     -2.50202633
  H      0.31507230     -1.41178551      2.60887477
  O      1.85604891      1.42659245      3.06994966
  H     -1.15503113      1.82403808      3.82411714
  H      1.09662960     -0.31095963      3.37776081
  O     -0.98050716      0.67225513     -2.63749291
  H     -1.13588315      2.74135992      2.57118891
  H     -3.06810136     -1.66936158     -0.28184321
  O     -3.66251104     -0.22204547      2.23274221
  H     -4.09277309      1.03045386      1.12256658
  H     -3.48709074     -3.07680730      0.20587122
  O     -0.22491463      0.82597787      0.03194645
  H     -5.16213156      1.95821923      0.49316039
  H      0.63206372      3.09632414     -3.28824074
  O      2.53851590      0.87563099      0.45378987
  H      2.47907567      2.10159331      3.36708190
  H     -0.22675822      3.81923591     -2.22926763
  O     -1.81489060      0.14670296      4.35969430
  H      0.97548911      1.82173595      3.14144772
  H      2.96799416      2.34511306     -4.22656846
  O      3.43213044      3.66320313      3.68669954
  H     -0.21521268      0.21165077     -2.99952575
  H      2.14647695      1.29467101     -3.44836237
  O      0.07815466      4.46150859     -0.46567861
  H     -0.86796677      1.61508986     -2.83672194
  H     -2.55772330     -0.00897727     -1.92554472
  O      3.49291305      4.89226955      1.26437836
  H     -3.05050168     -0.11995451      2.97143157
  H     -3.64457915      0.42038756     -0.91034152
  O      0.45410711     -1.02383180      3.48337467
  H     -3.40034000     -1.01817824      1.75465332
  H      0.87384920      5.84760691      2.28991651
  O     -2.93781465     -2.32892998      0.42428170
  H     -0.46085595      0.75751518     -0.90346251
  H      0.82347339      7.23426656      1.60507758
  O     -0.27849006      3.29105498     -3.03679985
  H      0.73678410      0.88367901      0.10180670
  H      2.37656898     -0.73422275     -0.42134436
  O      2.39021696      2.23307954     -3.47501881
  H      2.68553532      1.73253668      0.03116868
  H      1.28806035     -1.81882008     -0.36726646
  O     -3.28813641     -0.33939697     -1.38638921
  H      2.38847495      1.03722558      1.39606153
  H      1.70256574      3.66487091     -0.73030116
  O      1.00486001      6.31239619      1.44353806
  H     -1.99475580     -0.10502343      5.26171382
  H      2.63167590      2.99250283     -1.77917949
  O      1.99764223     -1.47183519     -0.92208322
  H     -1.01347250     -0.33630391      4.08729140
  H     -0.28404788     -0.87873215      0.61894521
  O      2.58986707      3.29919651     -0.86598476
  H      4.23267778      3.83404006      4.17506613
  H     -1.09568625     -2.17782746      0.73929819
  O     -0.20914594     -1.81623518      0.85592317
  H      3.53862418      4.08441799      2.81472119
  H     -1.21759794      2.10192438      0.62205142
  O     -1.75616196      2.86923396      0.88129568
  H      0.34182435      5.18674704      0.11438651
  H     -2.67205830      2.62641108      0.70293203
          69
 Energy    -250.59348795955887     
  O     15.18379273      4.74412118     -9.19983482
  H     14.99639381      5.62823756     -8.86402734
  H     18.08492000      4.55333693    -14.09259155
  O     13.51794321      3.58628000    -11.17721596
  H     14.51622581      4.50289022     -9.85622789
  H     12.54593280      8.97142912    -13.10891407
  O     17.79072040      4.67601853    -10.12697907
  H     13.67768252      2.68035584    -10.88548891
  H     12.93054564      8.90587282    -11.63027965
  O     18.94856751      7.73002266    -13.85965495
  H     14.01135732      3.69125405    -12.00536463
  H     15.13526245      7.17495855    -13.17678110
  O     12.00350919      7.39671438    -14.20406334
  H     16.87729661      4.69232994     -9.80339817
  H     15.18411154      5.75343777    -12.60037711
  O     14.38920255      1.05319735    -10.24358938
  H     17.97583973      5.56217198    -10.46569050
  H     14.01061906      7.20393359    -11.14724222
  O     15.67556573      2.19236374     -8.13225231
  H     19.72336873      8.18612614    -14.17642566
  H     13.66496889      7.52317209     -9.67272444
  O     16.75592169      9.27253589    -14.17066753
  H     18.18940158      8.32217661    -14.01455631
  H     17.55620850      1.28069559    -10.58173925
  O     15.40002258     10.54263002    -12.00506112
  H     11.17241065      7.40592582    -14.67169667
  H     16.14266277      0.98717892    -11.11381750
  O     15.07784683      4.08136901    -13.36986729
  H     11.91461636      6.73220958    -13.49825567
  H     12.20965008      4.85660844    -11.81319415
  O     14.68495846      7.60154859    -14.96576098
  H     14.80202917      1.38404545     -9.42586189
  H     12.14459782      6.33158236    -11.42666898
  O     18.06118380      5.18560122    -14.82342339
  H     13.91392513      0.26009171    -10.00956794
  H     18.36950529      7.34094869    -12.13766187
  O     12.91772545      9.50006869    -12.39574076
  H     15.46372276      3.11613391     -8.32833476
  H     16.93117538      6.98056779    -11.70024792
  O     15.27681655      6.68369868    -12.35754014
  H     16.62535789      2.10653353     -8.28176504
  H     17.50793021      2.50388143    -12.37668650
  O     13.28948907      7.47925876    -10.55806762
  H     16.02620087      8.80437729    -14.59958078
  H     17.76198523      3.91605184    -11.81975694
  O     17.06557659      1.06099374    -11.38415102
  H     16.36624731      9.75615719    -13.43239522
  H     18.29404993      3.10639859     -9.41508919
  O     11.80871887      5.69397527    -12.07339514
  H     15.33870098     11.49336311    -11.94877390
  H     19.25696923      2.11639199     -8.72222332
  O     17.83270700      7.12009430    -11.36773449
  H     14.50010569     10.21925249    -12.18642849
  H     16.53176155      5.16734579    -15.61099796
  O     17.65652496      3.42314800    -12.64404958
  H     15.09555556      4.34188358    -14.29764933
  H     15.64006995      4.72757680    -16.79969966
  O     18.37376576      2.20004191     -9.07215774
  H     15.97164368      3.78286256    -13.14460722
  H     14.85825114      7.72804378     -7.37609203
  O     15.61377563      5.14032479    -15.94107542
  H     13.73338196      7.53778056    -14.80931828
  H     15.47321938      8.00922121     -8.76984386
  O     14.87928301      7.41461157     -8.27586906
  H     14.96137922      6.78434221    -15.40162944
  H     16.08233758      9.55993670    -10.50411138
  O     16.45202367      8.99223483     -9.81722512
  H     18.42358742      6.01708562    -14.49547100
  H     17.08858574      8.42014748    -10.26685832
          69
 Energy    -250.59249440441994     
  O     10.74862385     10.62713258    -11.82705556
  H     10.32023640     10.37647876    -12.65575502
  H     16.34012232      6.58795733    -16.53371690
  O     13.43920415      7.52069093    -15.23480106
  H     11.58122004     11.04738494    -12.07596440
  H     17.73980182      6.08945230    -14.76886895
  O     17.40129701      9.55191165    -11.06304536
  H     13.20495936      6.85644500    -14.57326959
  H     18.65419439      5.59808612    -15.91144450
  O     18.41198742      9.12684071    -16.09152244
  H     14.07656371      7.15474686    -15.86730075
  H     16.32272264     11.69681537    -13.93501532
  O     12.34523319     10.01045259    -15.14668385
  H     17.60782000      9.88423489    -11.94599737
  H     16.13944891     13.23101564    -13.97255624
  O     15.19564560      5.54751610    -10.12071037
  H     16.45280398      9.70382589    -10.94899713
  H     16.00418226      7.38912065    -13.42986901
  O     12.83717275      5.94081115    -13.01698386
  H     17.71166661      9.30248237    -16.73383748
  H     14.82235563      8.05698902    -14.18796537
  O     14.60819235      9.56836847    -11.35637652
  H     18.38991081      8.17354896    -15.94480375
  H      9.92637520      8.47255269     -9.65062994
  O     16.15917466      9.49019127    -17.81294699
  H     12.70710174      9.11353752    -15.22293520
  H     10.62779267      9.20881421    -10.81755409
  O     14.92936963      4.10455264    -12.38019219
  H     11.40247469      9.90815263    -14.97290327
  H     10.24809886      7.42306382    -12.02999702
  O     17.35585948     10.25983799    -13.82472640
  H     14.46671167      6.18434046    -10.14070251
  H     11.02362727      6.59595926    -13.07438934
  O     15.49845502      6.88330232    -16.89890359
  H     16.01346142      6.05693663    -10.15983487
  H     16.32184260      5.17985979    -12.98269910
  O     18.03769784      6.28600572    -15.67163969
  H     12.95791666      6.47905232    -12.22039758
  H     17.33940860      6.14862395    -12.30628266
  O     15.66535176     12.40604401    -14.03878584
  H     13.44323695      5.19781592    -12.92250792
  H     18.45326030      6.73804751    -10.08800962
  O     15.52681745      8.21823583    -13.54869889
  H     14.09547125     10.28333180    -11.75412030
  H     17.62903990      7.84840462    -10.77509599
  O     10.53842708      8.34747087    -10.37057029
  H     14.94103973      9.04538753    -12.10440773
  H     14.94833705     11.67878221    -15.67038269
  O     10.23344736      7.13541488    -12.95201447
  H     15.58547056     10.10171223    -17.31825343
  H     13.72450822     10.83352476    -16.07908366
  O     16.99580659      5.84918266    -13.15948405
  H     16.16610013      9.79635976    -18.71610288
  H     12.24841995      7.64754774    -10.39500084
  O     17.70177285      6.88508792    -10.65670536
  H     14.87811883      3.16470696    -12.22914400
  H     13.64824906      8.19073868    -10.78030166
  O     14.57447313     11.16677106    -16.39629976
  H     15.00149750      4.53071294    -11.50509192
  H     12.93812471     10.91779242    -13.68318510
  O     13.14880545      7.37781216    -10.61184469
  H     16.67813607      9.57037334    -13.75053749
  H     14.02815826     11.90590906    -13.21766300
  O     13.24870856     11.42362789    -12.91656007
  H     17.88653089      9.99854604    -14.59002020
  H      9.88970392      8.59577651    -13.86454808
  O      9.73913602      9.47755235    -14.25023711
  H     15.68029932      7.74778186    -17.29239537
  H      8.87755696      9.45674854    -14.65753543
          69
 Energy    -250.59232315099899     
  O     -6.50891928      1.80770886      0.62324091
  H     -5.72519396      2.32217485      0.37261230
  H     -3.20986804     -2.21389917      1.72631120
  O     -6.10297854      2.27306842     -3.57243022
  H     -7.14852705      1.91022573     -0.09188719
  H     -1.19753470      0.78938542      5.33570878
  O     -5.91438372      2.16319766      3.29036326
  H     -5.20743204      2.51560892     -3.30913144
  H     -2.10506706      0.74271273      4.08417906
  O     -1.36818352     -2.49597222      1.25188072
  H     -6.03242367      1.39590831     -3.97064697
  H     -0.99188115      3.50017235      2.34751171
  O     -1.63083164     -0.94741615     -0.95556211
  H     -6.24428795      2.02922777      2.38601948
  H     -1.30237172      2.74122881      3.64970818
  O     -5.92108392     -0.49974323     -4.27406882
  H     -6.68077286      2.20988098      3.85646900
  H     -4.13986353      3.72122000      0.84804518
  O     -5.56590795     -0.74442202     -0.13192313
  H     -1.44318604     -2.02015942      0.40536596
  H     -3.57094507      2.38724934      0.30555053
  O     -3.92795001     -0.26958754     -2.29954707
  H     -1.04914511     -3.37154133      1.04659963
  H      1.26803624      0.43519374      1.33332430
  O     -3.45561836      2.49570192     -2.46247000
  H     -0.86653653     -0.48443384     -1.33052985
  H      2.66112143      1.00542459      0.97106898
  O      0.30170883     -0.48179377      2.42236994
  H     -2.38381486     -0.82066403     -1.54777664
  H     -0.44717226      3.14905517     -0.24131771
  O      0.46196004      0.58033131     -1.79921942
  H     -6.56262729     -0.69512499     -3.56661085
  H      0.49702349      2.37595514      0.72014618
  O     -4.10594528     -1.89892820      1.89233207
  H     -6.14730297     -1.05397243     -5.01544628
  H     -6.94420603     -0.97254927     -1.38699450
  O     -1.19944473      0.92199367      4.39087227
  H     -5.10743614     -1.22903136      0.56921000
  H     -7.90458137      0.08240571     -1.96117052
  O     -1.48473902      3.56015603      3.17652486
  H     -5.88126620      0.08977570      0.23828647
  H     -3.23048375      0.76502467      2.35375173
  O     -4.16764219      3.12037861      0.08882235
  H     -4.47520371     -0.43812381     -3.07520785
  H     -4.41147086      1.08582982      3.32349391
  O      1.74493568      1.01212863      0.70865898
  H     -4.48828558     -0.43235505     -1.52435830
  H     -1.64940895      1.71556328      0.85873673
  O     -0.28736836      2.94030418      0.68765668
  H     -3.76560145      2.85225786     -1.61458783
  H     -2.17452064      0.39656441      0.22345932
  O     -7.54993698     -0.80067268     -2.12186173
  H     -3.55850869      1.53387375     -2.41656139
  H     -3.18722362      4.12521161      2.83005234
  O     -3.62555352      0.53775517      3.21140597
  H     -0.17232628     -0.02643101      3.12919930
  H     -4.67879084      3.72458084      2.96083074
  O     -2.41719078      1.13081471      0.79890796
  H     -0.26822708     -1.19771916      2.11748381
  H     -8.82025144      2.53390379     -1.94005357
  O     -4.08076981      4.33413210      2.51622358
  H      0.10719069      1.45331100     -2.00759050
  H     -7.37832779      2.17604675     -2.36935274
  O     -8.06544224      2.00255251     -1.70101283
  H      1.01120312      0.69398147     -1.01251142
  H     -1.72403178      2.93910571     -2.29841215
  O     -0.79487315      3.15057163     -2.11106152
  H     -4.00682947     -1.15446581      2.50067050
  H     -0.55190923      3.85280121     -2.70986843
          69
 Energy    -250.59232261738430     
  O     -6.23685135      2.64990761      0.26648685
  H     -5.32874227      2.93756008      0.08126683
  H     -4.17740796     -1.98032033      1.87704118
  O     -5.33375856      2.72510788     -3.87642610
  H     -6.75972184      2.86005839     -0.51675000
  H     -1.82170128      0.66321720      5.55935398
  O     -5.82567865      3.02143469      2.96580261
  H     -4.43487579      2.75586877     -3.52826143
  H     -2.58973884      0.76010632      4.22037973
  O     -2.43013310     -2.73851328      1.61492255
  H     -5.44952406      1.83353589     -4.22950210
  H     -0.65891794      3.03784682      2.50498691
  O     -2.08499977     -1.32088858     -0.66784874
  H     -6.09203679      2.91413884      2.03727341
  H     -1.27185547      2.46590459      3.79545498
  O     -5.79176391     -0.04663413     -4.44348044
  H     -6.60532599      3.29269120      3.44390166
  H     -3.49392918      3.93022383      0.66828748
  O     -5.90114555     -0.09977844     -0.28071108
  H     -2.30278676     -2.31533265      0.74698819
  H     -3.23124568      2.46459060      0.24361287
  O     -3.99993412     -0.18665805     -2.27690621
  H     -2.32428020     -3.67721902      1.48011570
  H      0.84023611     -0.54956209      1.86245606
  O     -2.83239803      2.35978909     -2.49807810
  H     -1.19686482     -1.08641570     -0.97662502
  H      2.35980189     -0.36576734      1.62960389
  O     -0.42415621     -1.12641785      2.87695387
  H     -2.72249237     -1.05129557     -1.34215583
  H      0.02079912      2.39448518      0.00576534
  O      0.39521824     -0.41545409     -1.34182789
  H     -6.52546718     -0.03093979     -3.80185617
  H      0.64477221      1.47698997      1.09316959
  O     -4.97659172     -1.44376366      1.93307425
  H     -6.07963616     -0.57519706     -5.18222051
  H     -7.16802028     -0.06237834     -1.66656927
  O     -1.70118970      0.73007026      4.61526109
  H     -5.64773588     -0.63556346      0.48436824
  H     -7.77287794      1.15703557     -2.38218578
  O     -1.19649407      3.27171451      3.27315877
  H     -6.02934589      0.80882551      0.01994754
  H     -3.50516012      0.94614147      2.37949654
  O     -3.60069912      3.30646457     -0.06500795
  H     -4.49650332     -0.26535242     -3.09956423
  H     -4.65296007      1.61112851      3.20314467
  O      1.50381494     -0.15033158      1.27019484
  H     -4.65357853     -0.15506162     -1.56057178
  H     -1.60204919      1.37716988      1.02643724
  O      0.03466853      2.21404412      0.95410879
  H     -3.12081837      2.83652346     -1.70330570
  H     -2.38065021      0.18989698      0.39142575
  O     -7.63890136      0.20518726     -2.46854240
  H     -3.17836071      1.45822681     -2.42523207
  H     -2.66109964      4.21543516      2.72353065
  O     -4.02366053      0.87998474      3.19808204
  H     -0.83240938     -0.52293780      3.51005003
  H     -4.21095935      4.20468196      2.70911893
  O     -2.48333696      0.99737390      0.90775018
  H     -1.12486868     -1.69798805      2.54133812
  H     -8.03861402      3.75458790     -2.55727730
  O     -3.43947510      4.61738510      2.30744033
  H      0.29327587      0.50249598     -1.62173783
  H     -6.69971128      3.02473399     -2.81448816
  O     -7.46810713      3.07027784     -2.21749551
  H      0.87884217     -0.38958426     -0.50580685
  H     -1.06833321      2.37192121     -2.16664796
  O     -0.13776408      2.35933078     -1.88908940
  H     -4.75063898     -0.70861207      2.51841302
  H      0.32967955      2.93911521     -2.48580959
          69
 Energy    -250.59212563909512     
  O     -5.57894207      1.16675576      0.41473032
  H     -5.56032567      1.56252032      1.29739527
  H      0.60357178      3.17199705      4.04366350
  O     -5.65172082      0.85263710     -4.17238833
  H     -5.14823180      1.82424626     -0.14786813
  H     -0.86694403      4.30948543      2.21762545
  O      0.03394404     -1.44620707      1.62862749
  H     -6.34529774      1.03955545     -4.79930554
  H     -0.84892177      4.63270359      0.71575838
  O     -1.55204206     -0.83735227     -0.60808989
  H     -6.08880172      0.59611669     -3.33984529
  H     -3.31172852      2.63958668     -0.46817950
  O     -4.11735985     -1.56267143     -3.87662110
  H      0.46608076     -2.24508022      1.91819788
  H     -4.16652156      3.90086213     -0.23838681
  O     -4.09070633     -1.21036778      0.42126946
  H     -0.81710985     -1.39786936      2.10234576
  H      1.51903442      1.58939176     -1.81464637
  O     -1.76977932     -0.13351088     -3.24425594
  H     -2.43833685     -1.02343224     -0.26073986
  H      2.88939464      1.95706831     -1.20417705
  O     -3.37260555      2.24102583     -3.31165268
  H     -0.91449367     -1.13919765      0.04966208
  H      0.68684045      3.23753967     -0.81753556
  O      1.15303154      1.17825808      1.65693662
  H     -4.65152997     -0.80331575     -4.13974955
  H     -0.44987136      3.83749119     -1.68885377
  O      0.60489241      1.36762797     -3.28503976
  H     -3.22228463     -1.21875452     -3.75790057
  H     -4.88412271     -2.28272893     -2.47772384
  O     -2.41855819     -1.17947490      2.72537751
  H     -4.59653374     -0.38672566      0.46807673
  H     -5.67713787     -3.44815540     -1.83839235
  O      0.01123012      3.01013753      3.31448347
  H     -4.53968200     -1.77700714     -0.21859165
  H     -2.28585209      1.67675918      1.94225357
  O     -1.29720797      4.84963471      1.54372661
  H     -1.66194940     -0.44372064     -2.33158714
  H     -1.64039042      2.07608844      3.27431262
  O     -4.05427421      3.15027548     -0.83368492
  H     -2.30994933      0.66785520     -3.21199061
  H     -1.70246322      0.91720782     -0.15579883
  O      1.96273241      1.87048909     -0.99464555
  H     -4.14516484      1.82945586     -3.71829550
  H     -1.22916250      2.41110630     -0.10509358
  O     -0.13071181      3.75052168     -0.78144806
  H     -3.67298480      2.61663057     -2.46939612
  H     -3.04558139      4.97625177      1.40716394
  O     -5.37141528     -2.55910344     -1.68088039
  H      1.46550958      1.34601297      0.76023837
  H     -4.27852619      5.90533487      1.45184145
  O     -2.39478327      1.60512960      2.90296694
  H      0.81263631      0.27509314      1.66604772
  H     -6.50432606      0.40387520     -1.01520006
  O     -1.93059834      1.80134671      0.15578119
  H     -0.09198760      0.70244268     -3.35923279
  H     -6.42800217     -0.94524579     -1.75415595
  O     -4.00872063      5.00960114      1.26751970
  H      0.17046726      2.20385999     -3.49197002
  H     -4.15078099      2.25973367      2.92538900
  O     -6.72990435     -0.03343697     -1.84713225
  H     -3.09735983     -1.32238825      2.05354499
  H     -4.77360933      3.50100303      2.28265469
  O     -4.99927328      2.64629624      2.66836015
  H     -2.46085117     -0.23811828      2.94704636
  H     -1.11580243      4.39867926     -4.12717479
  O     -1.04911151      3.70527782     -3.47536811
  H      0.45630074      2.37086337      2.72926607
  H     -1.89248935      3.22267885     -3.49566200
          69
 Energy    -250.59189417366954     
  O     17.38206339      8.18884958    -11.18269420
  H     17.10087786      7.47547519    -10.59621213
  H     15.14135516      5.13286967    -13.32723848
  O     11.21752552      9.62136607    -10.98482954
  H     17.80264836      7.75643155    -11.93602839
  H     13.01061397      8.19718985    -12.90069252
  O     12.10419026      4.39420078    -12.46963020
  H     10.68964669      8.86637326    -10.70065920
  H     14.46092023      8.55045095    -12.44583256
  O     14.51817284      6.59072242    -16.23176070
  H     11.26921650      9.54597382    -11.94869123
  H     16.20521610      9.43058154    -11.61146670
  O      9.79676371      7.16684388    -10.44942910
  H     12.06455810      4.83667842    -11.60941443
  H     14.89974910     10.19961262    -11.19540077
  O     15.87938753      3.43708789     -8.63658081
  H     12.86686651      4.74630070    -12.95161068
  H     12.63213941      1.23616432    -11.93229551
  O     13.57608579     10.26769540     -9.83018750
  H     14.33044365      5.98079166    -16.94061621
  H     12.70501284      2.77802801    -11.97843550
  O     16.63244640      4.82087543    -12.35191188
  H     14.41056423      6.09809794    -15.40099372
  H     13.81617160      8.37657190     -9.55460334
  O     13.03890728      3.21238167     -8.98750151
  H     10.48864289      6.54226817    -10.17235290
  H     13.81473216      7.48793232    -10.80196648
  O     13.24938828      9.13897250    -15.76927665
  H      9.02944777      6.98058771     -9.91401784
  H     10.76720686      5.68892554    -13.12058491
  O     11.53045451      8.89109065    -13.64197147
  H     16.42002539      2.94821464     -8.02188321
  H      9.94431278      6.71470455    -12.32578761
  O     14.33216481      5.46859884    -13.73495745
  H     15.95490104      2.98786201     -9.49861251
  H     12.22588916      4.72073804     -9.45817869
  O     13.82943323      7.82700674    -12.54274255
  H     13.44171927     10.96485559     -9.19429340
  H     12.59243634      6.20773421     -9.74999970
  O     15.48027081      9.98949318    -11.93685006
  H     12.70863484     10.08981500    -10.23962919
  H     16.22309233      3.11278210    -11.69516298
  O     13.11807236      1.98564322    -11.59733119
  H     16.46830299      5.22698020    -11.48746077
  H     15.00509890      2.19683693    -11.39885040
  O     13.87488871      7.45632627     -9.83312459
  H     17.30192172      5.36655515    -12.78297174
  H     15.53603411     10.41004552    -13.66168082
  O     10.24285943      6.49192792    -13.21708549
  H     13.96548594      3.30477681     -8.73423463
  H     15.80798741     11.37233730    -14.83922069
  O     11.91232952      5.53263220     -9.88242480
  H     13.03836603      2.66078331     -9.77961100
  H     16.13783282      5.17130855     -9.29938030
  O     15.91425785      2.38712735    -11.13573584
  H     13.99003830      9.66004181    -15.43579197
  H     15.38239998      6.46093497     -9.73087393
  O     15.54950224     10.47778685    -14.63102017
  H     13.61964329      8.28203614    -16.01292295
  H     19.24562627      6.72339989    -13.78843954
  O     16.20943980      5.96960157     -9.83673293
  H     11.02478560      8.06493257    -13.67529915
  H     17.81487082      7.19580795    -14.14092547
  O     18.34991552      6.74543261    -13.46267909
  H     11.99137289      9.01737255    -14.48339304
  H     16.44675012      8.88358822    -15.10296118
  O     16.79613819      8.00078501    -15.27452352
  H     14.16913434      6.33924902    -13.33470274
  H     16.08316875      7.50889217    -15.69971760
          69
 Energy    -250.59179064823391     
  O     -2.79968426      2.46114298      4.44476729
  H     -2.88264008      2.99565577      3.64228980
  H     -4.87205462     -2.63215228      2.74009922
  O     -0.32915697      4.81628145      2.12004338
  H     -2.74589574      1.53576819      4.16532270
  H     -3.96867702      2.54469748     -0.68469620
  O     -0.46790461     -0.56779550      1.97903257
  H      0.16549504      5.60811373      1.92725743
  H     -3.83180831      1.72840252      0.62140451
  O     -4.71298008     -0.25123962     -2.01823164
  H      0.07365175      4.09924083      1.59684186
  H      0.23621111      2.11748905      0.30924834
  O     -2.18568804     -1.17036714     -1.79150738
  H      0.26597484     -0.12213571      2.41953050
  H      1.15507549      2.14296734      1.54713313
  O     -4.64132301      0.54015299      1.61618305
  H     -0.66048719     -0.04889576      1.18393564
  H     -3.10186616      3.54048088      1.35124972
  O     -5.61299971      2.62444553      4.72292256
  H     -5.30222285     -0.68184073     -1.38154286
  H     -2.14469962      4.47546131      2.13932780
  O     -8.14035505      0.30761057      1.52413198
  H     -4.98133922      0.67338583     -2.04788739
  H     -6.04324115      5.25225579      2.49825762
  O     -2.73722350     -0.15215935      3.46886294
  H     -3.09447254     -0.84064968     -1.91324790
  H     -4.80724548      4.34403800      2.32719414
  O     -5.45018734      2.52084608     -1.80491296
  H     -1.96632430     -1.66550772     -2.57615010
  H     -3.92612690     -1.23804864      4.25159959
  O     -6.19324299     -1.24050060      0.08739679
  H     -5.28024218      0.62827853      2.33419756
  H     -4.50413163     -2.21230460      5.30406152
  O     -4.89257872     -2.87837696      1.81058622
  H     -5.01525097     -0.11280664      1.01033951
  H     -0.95115804      2.83077436      4.58847123
  O     -3.37859207      2.37844815      0.05973726
  H     -4.65288381      2.59065164      4.82813449
  H     -0.07838332      3.75499872      3.72476315
  O      0.78712179      2.69932620      0.84957634
  H     -5.77583195      3.26548233      4.02016306
  H      0.94270011      1.76339405      3.66629144
  O     -3.03563497      4.10443564      2.13753851
  H     -9.05961651      0.13943456      1.71543589
  H      2.28243143      0.99140151      3.61396903
  O     -5.77312894      4.33862776      2.43210182
  H     -7.66511794      0.26677922      2.37235068
  H     -6.27652255      1.09220853      4.18917325
  O     -4.72049654     -1.73836684      4.50506363
  H     -3.34797955      0.02867975      2.73758633
  H     -6.02480986     -0.45247250      4.07814309
  O     -0.03349923      3.03791206      4.36882025
  H     -1.88413577     -0.34867942      3.06083038
  H     -1.62456017     -1.98346077      1.26675979
  O      1.45673916      1.11413965      3.15357593
  H     -5.79161497      3.07607050     -2.50029806
  H     -2.30533165     -2.08788190     -0.10516869
  O     -6.52397938      0.28624241      3.70903273
  H     -6.07163532      2.59116790     -1.05761320
  H     -1.31439429      0.21199747     -0.91949668
  O     -2.34223122     -2.42430748      0.79838120
  H     -6.96456007     -0.84048877      0.50395699
  H     -1.83419817      1.48406704     -0.21659735
  O     -1.05138292      0.92510149     -0.32375319
  H     -5.84961602     -1.93513001      0.67370431
  H     -6.65647786      3.23038022      1.11394447
  O     -7.03566504      2.72281553      0.38640368
  H     -3.98110764     -2.80353179      1.48616260
  H     -7.45042679      1.94091032      0.76938315
          69
 Energy    -250.59104614154856     
  O     11.44808177      9.11307028    -15.22336067
  H     11.30215917      8.77502346    -14.33084213
  H     16.92254203      6.05943665    -14.45352722
  O     16.68020760      7.06707803    -13.03272766
  H     11.66700148     10.04845775    -15.14388933
  H     14.63273359     10.67065026    -17.42904737
  O     16.50634012     11.51668160    -12.36481578
  H     17.28635968      7.78716738    -12.81301531
  H     15.30556680     11.52530636    -16.34864548
  O     16.65737111     11.03878530    -15.11664126
  H     16.05086614      6.97418487    -12.30338632
  H     14.49829019      8.40505378    -15.11392302
  O     14.10519592      5.29751511    -15.13380784
  H     16.60492884     11.69541813    -11.42162234
  H     15.57102917      8.17966251    -14.00467348
  O     14.65958022      9.95540378     -8.89292541
  H     15.56263583     11.35293823    -12.51311400
  H     11.68748447      7.10701994    -12.72729515
  O     14.82664605      7.01385087    -11.01117930
  H     16.11565493     10.23848853    -15.01022009
  H     10.22651251      7.53141645    -12.45129917
  O     13.90518350     10.84038864    -13.01170592
  H     16.68320398     11.45350401    -14.24451939
  H     17.79173548     10.10507764     -9.65240334
  O     17.25653486      7.89552825    -16.97868676
  H     15.05830878      5.26859907    -15.26391327
  H     18.36986278      9.16668396    -10.72705161
  O     16.28281473      7.59288572     -8.68840114
  H     13.79422114      6.04216524    -15.66941169
  H     13.56627257      6.03248458    -12.09894612
  O     18.96888452      9.61989294    -15.38256554
  H     13.96813829      9.72909173     -9.52897104
  H     13.28393912      5.57659492    -13.55521857
  O     16.97857210      5.60838176    -15.31402981
  H     15.11039421      9.12825184     -8.68274674
  H     17.64791258     10.05970110    -12.54608477
  O     14.50047031     11.45153126    -16.87731457
  H     14.21552041      7.76395310    -11.03257824
  H     18.66779310      9.36717707    -13.48833875
  O     15.06229984      8.85257286    -14.47083779
  H     15.30399666      7.07262448    -10.17450419
  H     16.71873502     12.36524331     -8.93568346
  O     11.09299853      7.87696615    -12.64973988
  H     14.24684240     10.07421099    -13.50234397
  H     15.89206352     11.11165113     -9.31119604
  O     18.16288567      9.22351231     -9.78583876
  H     13.34158096     11.31998781    -13.62999981
  H     15.88728982      8.62581256    -17.81074455
  O     12.85995781      5.85315200    -12.72936658
  H     17.14254373      7.06650196    -16.49601969
  H     15.19446787      8.85963510    -19.17201475
  O     18.25919939      9.31133311    -12.61673537
  H     17.92041295      8.39456322    -16.49094066
  H     12.24504016      8.74371597    -11.45263154
  O     16.65747307     11.65660244     -9.57036593
  H     17.01764166      8.11037921     -9.06384888
  H     13.30020559      9.84361033    -11.65807622
  O     15.10324941      9.01714222    -18.23573836
  H     16.63511587      7.10892638     -7.94665744
  H     11.91822056     12.59278838    -15.42053325
  O     13.00458818      9.16604824    -11.03245530
  H     19.69773250     10.09565895    -15.77417619
  H     13.12341579     11.71236712    -15.82624217
  O     12.41873251     11.82345917    -15.16290156
  H     18.20516197     10.22366604    -15.38647566
  H     13.83917782      8.12574305    -17.14381915
  O     13.43139428      7.66881288    -16.39997058
  H     17.56024478      4.86152946    -15.19495204
  H     12.65379545      8.16851486    -16.10493208
          69
 Energy    -250.59089950927995     
  O     17.59893460      4.42199693    -10.59470802
  H     16.74936118      3.99720303    -10.76527790
  H     14.72924563      7.02096478    -16.77912494
  O     17.89783522      9.58755076    -14.63599149
  H     17.46963442      5.04329555     -9.86904086
  H     16.09301205      7.06137184    -15.00935831
  O     13.13795423      8.04576577    -12.26648438
  H     18.57128506     10.10422274    -15.07007861
  H     16.62166391      8.45759233    -15.40203805
  O     11.01779829      5.82405159    -15.15528844
  H     18.35199074      9.02543463    -13.98225721
  H     12.92452888      4.98331106    -13.00925263
  O     15.74693271     10.61530596    -13.06581106
  H     14.06323076      7.82229683    -12.08452051
  H     11.58987737      5.61097254    -13.44713143
  O     17.74278980      8.51705072    -10.35490863
  H     12.68177857      7.20089655    -12.38009128
  H     16.40083284      7.64523861    -11.33037860
  O     19.05103664      8.03642694    -12.75566520
  H     11.60796837      5.20286576    -15.59930975
  H     15.24184118      6.80088353    -10.76514595
  O     13.04641156      4.65718207    -10.12265490
  H     11.19410436      6.68362639    -15.55675455
  H     19.68171339      4.57007337    -12.96389880
  O     13.12499585      4.18457996    -16.30995116
  H     16.51512530     10.34405906    -13.58330331
  H     18.52783151      4.88990706    -11.98295911
  O     17.20505119      6.41352928     -8.52235845
  H     14.97644486     10.35670857    -13.58413790
  H     14.30732806      9.66015905     -9.83864851
  O     11.84448845      8.30698451    -16.38256263
  H     17.16363930      9.27548491    -10.19855321
  H     13.19274533      8.85167841    -10.52683871
  O     13.97578296      6.59359974    -17.20706566
  H     17.64192161      7.89230769     -9.62519747
  H     14.14411984      7.47742603     -9.10562534
  O     15.90837533      7.82950974    -15.56912095
  H     18.72864018      8.25718342    -11.87054947
  H     13.94576391      5.92478961     -9.28876716
  O     12.16372053      5.47918578    -12.67873151
  H     19.11595715      7.07516194    -12.78752450
  H     13.41596411      8.89004604    -13.79214541
  O     15.64578308      7.10334656    -11.58933427
  H     12.55590446      4.93485166    -10.90771992
  H     14.45735144      8.78025013    -14.95057413
  O     18.96386609      5.17688667    -12.80605945
  H     13.71681778      4.03796153    -10.43592754
  H     15.95726934     11.52882877    -10.06335637
  O     13.55744607      9.07928764     -9.66096347
  H     13.48709787      5.01259284    -16.67445120
  H     15.81760678     10.65481939    -11.33128093
  O     14.57461790      6.61323909     -9.02665132
  H     13.00134841      3.59183952    -17.04655008
  H     17.32903498      5.48158241    -13.64648013
  O     13.70863129      9.29969940    -14.62196886
  H     17.41351060      6.25998195     -7.60462785
  H     16.12195950      6.21814851    -13.01864466
  O     15.89005173     10.62462476    -10.35978439
  H     16.23387503      6.46751482     -8.58632303
  H     14.85065268      3.31614318    -12.21301993
  O     16.42012401      5.75377809    -13.81808884
  H     12.43813721      8.75865704    -15.75960155
  H     15.10901648      2.12911090    -11.26155643
  O     15.13797640      3.08224125    -11.31473912
  H     11.31351391      8.98408051    -16.79401453
  H     13.91244126      3.93313779    -14.65571988
  O     14.32825021      3.99954892    -13.78693357
  H     13.22785423      7.19155564    -17.08237847
  H     15.08724107      4.59488766    -13.88512260
          69
 Energy    -250.59061684006912     
  O     13.62480228      4.95147706     -9.99990675
  H     14.07020240      5.48250731     -9.32875224
  H     12.42944103      8.24421017    -14.27553074
  O     14.70789053      8.92204482    -16.52389264
  H     14.33101593      4.60852338    -10.56287497
  H     16.84078407      9.94450012    -11.31926818
  O     18.05871361      8.64273501    -14.09141275
  H     14.23109855      8.99270167    -17.34678316
  H     17.56010371      9.02715804    -12.38516198
  O     15.84480801     11.42012777    -11.11721130
  H     14.04720693      8.96389834    -15.81099395
  H     14.13483319      8.32125780    -11.41767710
  O     18.13441672      3.38917019    -12.89464833
  H     18.89535750      8.17541737    -13.97462073
  H     15.52384722      8.58806210    -12.04421944
  O     11.84028150      6.60271450    -13.71869441
  H     17.45076154      8.01407797    -14.50752204
  H     10.70622649      6.07547049    -10.51377397
  O     17.13395474      6.61710739    -10.22194639
  H     15.74727195     11.87900389    -11.96207441
  H     12.23335711      5.84513043    -10.58657375
  O     12.97557867     11.14882800    -10.46140030
  H     14.95021473     11.32139762    -10.77466913
  H     19.99867388      6.49095538    -12.82439158
  O     18.47582735      5.09883339    -14.97811866
  H     18.43531681      2.51618943    -13.13118940
  H     21.18707771      7.03351466    -13.65386915
  O     15.37144583     12.57077752    -13.67476842
  H     18.22141814      3.94225660    -13.69185656
  H     14.55930131      6.71543257    -13.06962525
  O     12.79278052     11.51878969    -13.13240265
  H     12.69672234      6.15819529    -13.78982577
  H     14.99414253      5.24463119    -12.93334316
  O     13.02204260      9.00377892    -14.36825946
  H     11.62417012      6.57531256    -12.77922865
  H     17.18121874     10.09481302    -14.86129672
  O     17.18029411      9.05435254    -11.49611971
  H     17.20429447      7.49165102    -10.63407854
  H     15.93994702     10.16212126    -15.77530055
  O     14.62470948      8.30386007    -12.24783972
  H     16.50079702      6.70725278     -9.50045722
  H     15.81125966      7.49592760    -15.93250669
  O     11.51827807      6.45888657    -10.83607243
  H     12.55684872     11.88715478    -10.02659801
  H     15.69331960      6.44490522    -14.80134220
  O     20.23766883      6.94910692    -13.65036807
  H     12.84080017     11.27636945    -11.41782780
  H     19.06566629      4.71811297    -11.84260288
  O     14.56736278      5.86524073    -13.53714610
  H     19.15595277      5.71272392    -14.67474934
  H     18.72804366      5.90624019    -10.91797537
  O     16.52707941     10.70134404    -15.23206436
  H     17.73531202      5.64566623    -15.27158821
  H     16.61819798      3.96107226    -11.99364944
  O     16.32199194      6.87543783    -15.40009529
  H     15.63727667     13.43162379    -13.98658111
  H     16.34636102      5.22008263    -11.13333089
  O     19.42313552      5.53743129    -11.47862153
  H     15.80541309     11.91837169    -14.25340976
  H     14.95203559      7.14196995     -7.47482715
  O     15.91700029      4.46605500    -11.56431742
  H     12.71964672     10.71333419    -13.66046575
  H     14.36888463      7.55522826     -8.84613515
  O     14.97313545      6.93358136     -8.40547015
  H     13.62270336     11.93910930    -13.39417398
  H     12.46578026      7.92292574    -10.15914571
  O     13.19721307      8.46512030     -9.83287412
  H     13.66063807      8.90600813    -13.64462819
  H     13.00917124      9.39949379     -9.99680515
          69
 Energy    -250.59056502269374     
  O     14.56024227     12.76952794     -9.81529207
  H     14.47370708     11.84952359    -10.11595456
  H     12.42952282     11.76620723    -13.28134950
  O     12.89879300     11.42940119    -17.51765362
  H     14.37357924     12.76949934     -8.87948629
  H     13.29363210     14.08937286    -15.88500161
  O     17.16298023     10.29176326    -11.56183868
  H     12.70469297     12.22939671    -16.99551797
  H     12.04430251     13.57022258    -15.13835433
  O     15.18766932     15.96230290    -12.98288549
  H     12.30358958     11.43394462    -18.26199693
  H     10.56244424     13.54563928    -13.08878997
  O     13.55100825      9.63396279    -15.47656959
  H     16.21675029     10.19278444    -11.38583732
  H     12.05424883     13.80048005    -12.76243766
  O     16.95259214      7.54578845    -12.13372711
  H     17.32993543     11.23192099    -11.40784332
  H     18.07926934     13.79105989    -15.65125734
  O     16.53178120      6.81566177    -14.71986976
  H     16.13240019     15.85120426    -12.82818476
  H     18.41623888     12.70828366    -14.61448109
  O     15.40118979     12.59376945    -13.71857016
  H     15.05595799     15.71347250    -13.90818663
  H     14.79857636     11.53865788    -17.69873965
  O     14.38301419     10.23299305    -10.93664135
  H     13.20992328     10.16132575    -16.20965464
  H     16.02062942     10.71899771    -17.24165798
  O     16.28224016      9.31627616    -15.99558938
  H     14.50250348      9.54025485    -15.63166408
  H     14.67065890      6.99874650    -14.28167146
  O     17.04652038     13.89513972    -17.23785915
  H     16.09299226      7.41987169    -11.71286360
  H     13.54197156      8.02558391    -14.47622331
  O     13.11392524     11.09243580    -13.18315142
  H     17.22676606      8.44221595    -11.90043203
  H     18.17652206     14.72089534    -13.44293514
  O     12.46366620     13.60672289    -16.00556170
  H     16.77275956      7.06718313    -13.81011236
  H     18.69688813     15.84823446    -12.52193057
  O     11.44850880     13.32314033    -13.36015625
  H     17.01612079      6.01987132    -14.92257659
  H     17.60552863     10.62485888    -13.38102360
  O     18.50369458     13.65244437    -14.79524614
  H     14.59221573     12.10751372    -13.51837834
  H     16.78416657     11.59097669    -14.23622591
  O     15.76291537     11.54342481    -17.67258465
  H     15.83467060     12.80823323    -12.88258568
  H     13.63230594     13.96612704    -11.02190811
  O     13.81592274      7.27837341    -13.92970536
  H     14.27460412      9.27560041    -10.88424432
  H     13.89110490     15.06004259    -12.09540406
  O     17.96161221     15.25692110    -12.65817323
  H     13.88492212     10.51802306    -11.71952868
  H     13.75429208      6.74185508    -10.81116758
  O     17.56633846     11.01521860    -14.26265972
  H     16.42414655      8.41032310    -15.69662767
  H     13.98708753      7.39187191    -12.19557199
  O     13.20788311     14.49404668    -11.70555713
  H     16.82258528      9.87927807    -15.42068871
  H     16.19923381     13.18703586    -10.71021971
  O     14.21403880      7.45273214    -11.24962168
  H     17.37465110     14.21116485    -18.07538198
  H     17.28587961     13.88566680    -11.61866745
  O     16.91641423     13.03881182    -11.33858894
  H     16.61635106     13.03883727    -17.41343459
  H     15.13543654     13.93897430    -14.85127040
  O     14.98054677     14.66983676    -15.47267409
  H     13.17426259     10.57691451    -13.99992625
  H     15.65737462     14.57909985    -16.15257761
          69
 Energy    -250.59007510602314     
  O     -5.21063585      4.07603800      1.77400678
  H     -4.66548817      4.47303582      2.47756345
  H     -2.84852692      5.13045300     -3.14083131
  O     -3.67627829     -2.23305633     -0.04255777
  H     -6.12065522      4.23341610      2.00971880
  H      0.39054305     -2.10317374     -2.79587834
  O      0.14046419      4.11474209     -1.53912813
  H     -3.49468199     -1.75856132     -0.87375181
  H     -0.29237067     -1.91807271     -1.42010638
  O     -2.75361736      1.83200717     -1.86666734
  H     -4.36885445     -2.86075064     -0.22998664
  H     -2.37689075      2.24658973      4.63066045
  O     -0.02922211     -0.29298910      4.95244823
  H     -0.71601757      4.33020279     -1.92998625
  H     -1.76309358      3.03966911      3.45459879
  O     -1.40902324      2.93343486      1.71157321
  H      0.25848680      3.16577062     -1.66792290
  H     -1.00780579      6.22477848      1.55583878
  O     -2.81891534      0.48122860      4.71909647
  H     -2.74514230      2.73872470     -2.19491014
  H     -1.53396156      7.63009528      1.92504854
  O     -2.94272433     -0.92748372     -2.31033058
  H     -3.17848071      1.85790029     -0.99572528
  H     -4.38601230      2.56591916      1.10238914
  O     -3.12499822     -0.37622220      1.99425208
  H      0.37558704     -0.68131099      5.72328976
  H     -3.65480745      1.16607141      1.20464015
  O     -0.36443453     -0.88198284      2.24554335
  H      0.30034273      0.62150125      4.89300248
  H     -2.92069183      5.78735923      3.09423930
  O      0.71121213      2.31530619      4.71077833
  H     -1.03122478      3.74518480      1.35296117
  H     -3.02060652      4.54905792      4.01940987
  O     -2.53116067      4.57872151     -2.43107663
  H     -2.22586187      2.72259309      1.24239533
  H     -0.96935932      1.44722058     -1.70692141
  O     -0.11255395     -1.48426234     -2.27385179
  H     -1.94530261      0.10695932      4.88789264
  H      0.07892192      0.34135924     -1.95448205
  O     -1.96778264      3.09377376      4.40138398
  H     -3.09107047      0.13842536      3.85864097
  H     -2.98372152      5.99924620      0.52419363
  O     -1.80136839      6.72035394      1.82039278
  H     -2.01515526     -1.14696477     -2.45962621
  H     -4.18399321      5.03482171      0.44994574
  O     -3.77235196      1.96205838      0.66575164
  H     -2.98247851      0.03795307     -2.27629374
  H      0.56417866      1.26822411      0.04901525
  O     -3.54566749      5.22273455      3.56378462
  H     -2.16908533     -0.50762143      2.07162042
  H     -0.08707183      1.84726322      1.32399728
  O     -0.02056981      1.25624606     -1.66318143
  H     -3.43497369     -1.04736585      1.37256356
  H     -0.57520515     -2.11895793      0.89136163
  O     -3.52820516      5.49125188     -0.08942097
  H     -0.19697250     -0.80155653      3.19281683
  H     -1.78732508     -2.64105526      0.09765701
  O      0.68562408      1.35226813      1.00418307
  H      0.10872101     -0.15609987      1.81499761
  H      1.71463110      2.57042587      1.81818642
  O     -0.82324380     -2.60469843      0.09279711
  H      1.19560356      2.73450750      3.99263781
  H      3.00636233      3.30024205      2.25297508
  O      2.05462448      3.33429034      2.31544758
  H     -0.16731299      2.72180147      4.72516973
  H      0.28476060      4.82012727      0.06614127
  O      0.22937328      5.09915355      0.99476759
  H     -2.91536281      4.92981692     -1.60746138
  H      0.92246580      4.63913992      1.48284638
          69
 Energy    -250.58960049637523     
  O     13.53321171      1.60971258    -15.39141706
  H     14.19192169      1.32807993    -16.03462533
  H     15.32642242      3.40591638    -14.25281267
  O     20.29222802      7.53804323    -16.69051031
  H     14.03231938      1.89976190    -14.61353762
  H     16.44766484      3.41167984    -19.19657092
  O     14.29929961      4.98988309    -11.82676401
  H     19.76068963      8.31213954    -16.46734640
  H     14.97278964      3.27352391    -18.78139185
  O     18.98821575      4.31348194    -12.33185943
  H     20.14782253      6.90478665    -15.97512112
  H     19.40703013      5.27779927    -13.87254547
  O     17.39432782      8.64143543    -18.56297124
  H     15.17237129      5.42069153    -11.87699471
  H     19.10456184      5.07678328    -15.37631286
  O     15.23943380      7.06461004    -15.56973013
  H     13.98239595      5.11531652    -10.93663024
  H     18.18268982      7.05197994    -14.39448672
  O     18.42449384      3.91127675    -16.52445758
  H     19.56368713      4.04371867    -11.62115440
  H     17.78839726      8.49679638    -14.77025128
  O     17.77055384      2.12716752    -13.36187307
  H     18.58339007      3.50274850    -12.68908041
  H     12.69767502      5.27722950    -14.69993533
  O     18.33630183      9.58514954    -16.18676442
  H     18.11573316      8.11848540    -18.93311224
  H     13.41509936      5.64671662    -13.37677621
  O     15.80189908      4.34604905    -15.67792647
  H     16.61655296      8.06873030    -18.58199851
  H     13.07776910      4.23763677    -17.26871454
  O     17.55554710      4.97090721    -18.91643845
  H     15.94791405      7.37617724    -14.99337500
  H     14.59270689      4.27250914    -17.05938963
  O     15.09535908      2.86665768    -13.47772755
  H     14.45340003      6.84490088    -15.04603941
  H     18.61033966      0.41512486    -16.30066782
  O     15.74138965      2.76524767    -19.08127700
  H     18.18277649      4.19743828    -17.41713134
  H     17.17785730      0.97005283    -16.45951215
  O     19.40276466      5.72960406    -14.72489800
  H     18.39564532      2.94824926    -16.48067825
  H     15.36277529      6.93809227    -17.32752547
  O     17.54786849      7.75717598    -14.19811939
  H     17.91768957      1.73743103    -14.22967975
  H     14.72498424      5.98451788    -18.33805275
  O     13.11938788      6.00254775    -14.22392440
  H     16.81744610      2.28658438    -13.30060285
  H     17.50738839      5.48288989    -12.07004600
  O     13.90837173      4.33955546    -17.74497928
  H     18.39974886     10.53580401    -16.22309507
  H     16.97595717      6.79841213    -12.67244927
  O     18.05065284      1.15539566    -16.07742592
  H     17.92932940      9.30069710    -17.02454729
  H     19.90277207      7.06726022    -18.32786090
  O     15.39922614      6.66984169    -18.26027727
  H     16.72493879      4.21226490    -15.92268067
  H     20.30923055      7.03746006    -19.82034162
  O     16.75735787      6.08992308    -12.05433747
  H     15.65853685      5.29691989    -15.57355756
  H     15.26629776     -0.02814146    -17.74429858
  O     19.57957314      6.87944369    -19.22755164
  H     16.82158338      5.56040236    -18.68952799
  H     15.66579501      1.44809384    -17.97348113
  O     15.59994589      0.74732145    -17.29924999
  H     18.29804070      5.54384870    -19.14764799
  H     11.04172712      3.57960696    -15.74058668
  O     11.96454307      3.81864516    -15.76619481
  H     14.76069638      3.48000228    -12.81314256
  H     12.46899363      2.99692818    -15.63055320
          69
 Energy    -250.58890984779441     
  O     18.04000610     10.70029581    -17.52984941
  H     18.80765446     11.23924373    -17.30230551
  H     17.31785184      5.66070559    -15.64328138
  O     15.28261373      5.89724018    -13.16549919
  H     17.26725315     11.14128141    -17.15130212
  H     17.50299127      7.61247880    -11.57004166
  O     16.76594910     13.79035452    -12.49377028
  H     15.64088132      5.76243460    -14.06114843
  H     16.92915626      6.38036919    -12.29579509
  O     21.22256632      8.79520998    -13.60295093
  H     14.85881776      5.08045259    -12.91512245
  H     21.05871544      8.85201777    -16.78218735
  O     15.46392307      7.37301197    -17.65314261
  H     17.36446073     13.44440979    -13.17571415
  H     21.32328681      9.30513944    -15.32315619
  O     13.36614124     11.01087986    -12.36966933
  H     17.10484796     14.64645355    -12.24301177
  H     18.21254722      9.32221180    -16.14497248
  O     14.66462129      8.60665123    -12.79459826
  H     20.51151348      9.37025967    -13.28874161
  H     18.37996331      7.91437038    -15.47168628
  O     18.21855803     12.61159340    -14.52743736
  H     20.95469623      7.90079822    -13.36293255
  H     16.53628516     10.17681879    -11.00876694
  O     20.13783296      6.20187418    -13.03291487
  H     15.29315568      7.99658236    -16.92716798
  H     17.64899340      9.69323916    -11.96909871
  O     15.31929287      9.03902967    -15.46847309
  H     14.67656293      7.35867402    -18.19215651
  H     14.81550616     11.60022752    -11.20891181
  O     19.06515832      6.22062450    -15.60762267
  H     13.72433553     10.12237209    -12.52806361
  H     16.08334414     12.46877785    -11.27805195
  O     16.35638758      5.55542533    -15.62470478
  H     12.46960358     10.89221077    -12.06480341
  H     18.70065000     11.12858656    -13.49205592
  O     17.73625204      6.73827854    -11.90918958
  H     14.72737847      7.64732813    -12.88474343
  H     18.57808295      9.65491874    -13.91220408
  O     21.24649414      9.62179406    -16.23621426
  H     15.46204527      8.88668349    -12.31815853
  H     14.01833133     12.38034233    -13.53798099
  O     18.01305240      8.79968294    -15.35849067
  H     18.97029263     12.55400982    -15.13041683
  H     15.14768935     13.42589418    -13.49615992
  O     16.92941417      9.38378427    -11.39922528
  H     17.44657721     12.28587004    -15.01427404
  H     19.60874828      7.58192362    -18.16899255
  O     15.66680764     11.75340909    -10.78148711
  H     19.29074961      6.39354004    -12.59064118
  H     20.98086231      6.94143438    -18.48911381
  O     18.84410693     10.22929897    -13.17623841
  H     20.58917769      5.55883276    -12.49270548
  H     15.37561311     12.27417426    -15.42339798
  O     14.47486128     13.04258221    -14.07211330
  H     16.27614625      8.89471315    -15.37537662
  H     15.65422360     10.80797658    -15.81052650
  O     20.45742806      7.30326588    -17.77899985
  H     14.95126927      8.91876644    -14.58549160
  H     20.88649977     12.66897756    -16.83665532
  O     15.96395719     11.71329935    -15.94997615
  H     19.55014912      6.14745014    -14.77460092
  H     20.65794579     11.22113930    -16.34026634
  O     20.23643777     12.09561333    -16.44004808
  H     19.68266101      6.45337874    -16.31255593
  H     17.19661950      7.82513371    -18.39727046
  O     18.05090680      8.17838857    -18.67027980
  H     16.02099797      6.04551102    -16.38382303
  H     18.02526182      9.12337416    -18.46046342
          69
 Energy    -250.58870425437254     
  O     11.68467529      9.25862563    -13.94159126
  H     10.97782785      9.86378035    -14.15237214
  H     14.76764014      5.79271277    -16.60476948
  O     15.91777681      5.96272283    -13.66366153
  H     12.27430853      9.23445615    -14.71305571
  H     19.00184221      7.37371794    -15.60500753
  O     17.89532650      9.73416887    -11.89047363
  H     15.19928700      6.03184136    -13.02078270
  H     20.42884000      6.86515548    -15.29186504
  O     18.41397221     11.76574410    -16.10269382
  H     16.73582667      6.21691274    -13.21349830
  H     16.69085020     12.29015686    -15.51764255
  O     12.86015205      6.21859338    -16.56753920
  H     17.78625580      9.71520187    -10.93220593
  H     15.24349680     12.08303136    -15.98814062
  O     14.67583117      8.88272120     -9.26484179
  H     17.09929709     10.14297813    -12.26040201
  H     15.77231743      7.62600295    -14.36854499
  O     13.85708214      6.49314297    -11.89632533
  H     18.79032319     11.18212743    -15.42018461
  H     16.51779787      8.38703907    -15.47730893
  O     15.62221424     10.63138701    -13.16680550
  H     19.09709743     12.39024234    -16.33233915
  H     17.83906037      6.58169332    -10.73075830
  O     17.01007292      9.97428609    -17.79904429
  H     12.27812734      5.66379901    -17.08012618
  H     17.58700958      7.50260588     -9.52102456
  O     14.88916019      6.01294423     -9.35065479
  H     12.55195060      6.16951446    -15.64453188
  H     11.69435582      7.30365315    -13.90935763
  O     17.69075477      7.56452814    -16.72646832
  H     14.21041593      9.11543739    -10.07892354
  H     12.58358514      6.24657736    -13.24142874
  O     15.71011356      5.65184989    -16.46441522
  H     14.61468454      7.92274773     -9.18503420
  H     18.99949351     10.05609535    -13.36043289
  O     19.68595764      7.32749592    -14.91315445
  H     14.12619325      6.20966049    -11.01381103
  H     19.62310020      9.18321786    -14.46979962
  O     15.76995412     12.41343383    -15.25088085
  H     13.81394105      7.46004303    -11.87563314
  H     18.81004764      7.00906541    -13.28592993
  O     15.83019710      8.48476773    -14.80849910
  H     15.73979537      9.85748868    -13.74177609
  H     18.06877486      7.96017722    -12.31977328
  O     17.49432475      6.59204244     -9.82850397
  H     15.62158274     11.39377640    -13.76096717
  H     16.37324259      9.28416634     -9.16744170
  O     11.99587929      6.39142948    -13.99493779
  H     17.54914829     10.59677451    -17.29247356
  H     17.56791842      9.86631015     -8.37365516
  O     19.41858363     10.09453243    -14.23003360
  H     16.11917368     10.34085319    -17.79197692
  H     13.95094607     10.34470903    -17.01712478
  O     18.21790212      7.02496681    -12.52398492
  H     14.80921865      5.34044187     -8.68008644
  H     13.78937958     11.42116824    -18.11446805
  O     17.34240077      9.38316354     -9.16383259
  H     15.84167489      6.13587515     -9.51574732
  H     14.30540730      9.83818760    -12.24282689
  O     14.38213298     11.10695122    -17.43607215
  H     17.00761919      6.88190899    -16.80761454
  H     12.85253565      9.35284023    -12.44830091
  O     13.60816274      9.29007671    -11.85272110
  H     17.46515026      8.32830339    -17.27806398
  H     13.18461806      8.03242272    -16.40957555
  O     13.43223215      8.90533616    -16.07803229
  H     15.81256235      5.56628618    -15.50557489
  H     14.28106519      8.78770050    -15.62296574
          69
 Ord_Energy   -250.587784    
 O   -4.20526981      -9.43249512       8.97506428    
 H   -4.41549492      -8.63848114       8.46386433    
 H   -4.30554342      -10.1661377       8.35610867    
 O   -5.78672218      -9.22334957       11.1874857    
 H   -5.18057489      -9.31473255       10.4310446    
 H   -5.27228069      -9.39382839       11.9718800    
 O   -5.68666744      -7.90817690       4.68241405    
 H   -6.59735203      -7.60876179       4.57744980    
 H   -5.42761660      -7.64063835       5.57521629    
 O   -4.97636175      -11.2495193       6.89729691    
 H   -5.54736662      -12.0310965       6.91645384    
 H   -4.81814003      -11.0336819       5.96923161    
 O   -9.05171776      -9.79030895       5.32729626    
 H   -8.90427017      -8.90586567       4.96915245    
 H   -8.51695347      -10.4271259       4.83254051    
 O   -6.59868050      -5.23746538       8.72312260    
 H   -6.84401035      -5.76082706       9.50870705    
 H   -6.41970825      -4.35201740       9.02544689    
 O   -9.61889362      -8.08303738       9.47959709    
 H   -10.5168285      -8.34891796       9.23833466    
 H   -9.14624786      -8.90317726       9.67630100    
 O   -7.41687107      -11.7764378       4.33789062    
 H   -7.28994465      -12.2382326       5.18067741    
 H   -6.57070780      -11.3642511       4.12385750    
 O   -7.01980686      -13.1223249       6.76844215    
 H   -7.72319460      -12.8573933       7.37853241    
 H   -7.20670223      -14.0305796       6.50130272    
 O   -4.94476891      -10.4470320       4.16684198    
 H   -5.19395542      -9.51544285       4.30978155    
 H   -4.23220825      -10.4469595       3.53363562    
 O   -7.99811172      -10.3441114       9.86650658    
 H   -7.29245043      -10.1009741       10.4765015    
 H   -7.69273281      -10.0603428       8.98756123    
 O   -10.9742632      -11.0395155       6.80686855    
 H   -11.2832632      -11.7936497       6.29033184    
 H   -10.3562365      -10.5418682       6.24932909    
 O   -9.17521000      -13.9569225       3.93111610    
 H   -10.0174837      -13.6867304       4.31744432    
 H   -8.62830925      -13.1626825       3.87041044    
 O   -11.5642481      -13.4392395       5.45743561    
 H   -12.4015751      -13.8386497       5.23590136    
 H   -11.1718340      -13.9816465       6.16568661    
 O   -7.15956688      -9.56189442       7.40397167    
 H   -7.81571722      -9.62223053       6.70036697    
 H   -6.41867590      -10.1428471       7.18302393    
 O   -9.14035892      -12.4121866       8.43777180    
 H   -8.78264904      -11.8095417       9.10311794    
 H   -9.79132366      -11.9071970       7.93054438    
 O   -7.99591875      -15.5647736       5.78327799    
 H   -7.67412090      -16.3885345       5.42827702    
 H   -8.40584660      -15.0773525       5.04548359    
 O   -5.37734747      -7.40244722       7.41638517    
 H   -6.11565304      -8.03019524       7.46563721    
 H   -5.68109846      -6.58685970       7.83223057    
 O   -8.44884777      -7.15328312       4.69749451    
 H   -8.89448357      -6.50207329       4.16279984    
 H   -8.56812859      -6.88303757       5.62754250    
 O   -8.73226643      -6.48571539       7.28947258    
 H   -9.08526039      -7.05498648       7.98549128    
 H   -8.05827618      -5.93910980       7.71007156    
 O   -7.38446283      -6.86388111       10.7203512    
 H   -8.23641300      -7.20844364       10.4188747    
 H   -6.83690119      -7.62793446       10.9368153    
 O   -12.0011015      -9.16092110       8.58789825    
 H   -11.7228947      -9.83999252       7.95368814    
 H   -12.8749208      -9.41153240       8.87689495    
 O   -10.2332172      -14.7953453       7.40420723    
 H   -9.86791229      -14.0827694       7.94708681    
 H   -9.47968006      -15.2126942       6.96873999    
          69
 Ord_Energy   -250.587753    
 O  -0.438379705       4.73669767      -7.83821774    
 H  -0.440196455       5.37059498      -7.09818792    
 H  -0.766712785       5.19940948      -8.60432529    
 O   -2.67072058      -1.24712431      -4.36663198    
 H   -2.24517012     -0.744724691      -3.65897632    
 H   -3.46243405     -0.745303810      -4.59570122    
 O    3.14586306       1.53831971      -6.80316925    
 H    2.35987806      0.983022690      -6.86898661    
 H    2.84939861       2.44033790      -6.99183846    
 O  -0.273934841       2.11304569     -0.682257652    
 H  -0.341177613       3.07229042     -0.744738817    
 H   0.663025498       1.92774463     -0.544026196    
 O   -1.41611958      -1.74926317      -6.73076820    
 H   -1.81541252      -1.62464714      -5.85058212    
 H   -1.38532436      -2.68956399      -6.88545609    
 O  -0.248596504       4.97393751      -1.17647827    
 H  -0.665131032       4.89450312      -2.05164337    
 H  -0.706871629       5.67077589     -0.714213789    
 O    4.78624153       2.10297894      -4.71714830    
 H    5.67628956       1.85607958      -4.95721531    
 H    4.21929932       1.84666860      -5.46636438    
 O   0.928077161      0.567296267      -3.95206141    
 H    1.04860628       1.52253675      -4.06991053    
 H    9.90845785E-02  0.460837692      -3.46814203    
 O   -4.70671320      0.557546258      -5.32520580    
 H   -4.27551699      0.467132807      -6.19435310    
 H   -5.64478302      0.475743890      -5.47211456    
 O    2.57962489       1.84585261     -0.443826824    
 H    3.05165839       1.52544439      0.319549382    
 H    2.91437221       1.34875572      -1.21262825    
 O    3.40024400      0.639127851      -2.69562912    
 H    3.94054174       1.11005509      -3.34085083    
 H    2.56695771      0.433149368      -3.14330983    
 O    2.12680268       4.11320305      -6.89031839    
 H    2.43042970       4.96427536      -6.54918814    
 H    1.29333031       4.28194284      -7.34782648    
 O    1.22226584       3.27962756      -4.29680157    
 H    1.60997462       3.53777122      -5.14104843    
 H    1.78148258       3.60697961      -3.58030295    
 O   -1.14508331       4.53538513      -3.71754622    
 H   -1.87130511       3.93038917      -3.91653419    
 H  -0.331339389       4.05924416      -3.95104814    
 O   -2.75286913       2.43064308      -4.50234699    
 H   -3.54622602       1.90919983      -4.67190599    
 H   -2.21719480       2.37016106      -5.30892611    
 O    4.14587641       4.78782368      -3.93004918    
 H    3.68232560       4.68579006      -3.08659434    
 H    4.41425800       3.90221143      -4.20447493    
 O    2.39103889       4.23848724      -1.87650216    
 H    1.55645037       4.62244797      -1.58045006    
 H    2.53630114       3.45139098      -1.33417177    
 O   -1.51634288      0.659902334      -2.66565299    
 H   -1.94371116       1.32122767      -3.22696972    
 H   -1.15990448       1.12355959      -1.89368618    
 O   -3.21180892      0.312281251      -7.58745146    
 H   -2.66037464     -0.471020579      -7.46601248    
 H   -2.60743570       1.06139040      -7.49052477    
 O   0.621287525      0.216458797      -6.64247608    
 H   0.762448668      0.245323405      -5.68246269    
 H    2.00033300E-02 -0.521761656      -6.79856348    
 O   -1.29981148       2.23984289      -6.85597849    
 H   -1.00686812       3.06902909      -7.25004005    
 H  -0.553270936       1.62487578      -6.83122778    
 O    2.69943523       6.46371126      -5.47915268    
 H    3.25615644       5.91936111      -4.89333487    
 H    3.19389129       7.25859451      -5.66125488    
 O  -0.205929995       6.34814167      -5.67182493    
 H  -0.596429944       5.85898066      -4.93513250    
 H   0.732564688       6.45699978      -5.47548246    
          69
 Energy    -250.58716984215971     
  O      9.60097264     12.30911087    -11.03685867
  H      9.76397474     12.27260123    -11.98673436
  H     13.11709458     13.31633515    -12.58750704
  O     12.70215058      7.19541178    -15.55701063
  H     10.21579243     12.96197270    -10.67134426
  H     16.84070978      9.90090414     -9.22078822
  O     13.37908631      8.25344221    -13.03390615
  H     11.77665397      7.49076251    -15.48241530
  H     16.15324980      9.07804027    -10.32021928
  O     12.53595700     12.97296441     -7.50142455
  H     12.68997870      6.35572590    -16.00739328
  H     14.45561666     14.53201098    -11.50983792
  O     13.40005816      9.90858385    -16.20607899
  H     13.89537758      9.03378801    -13.28522605
  H     13.73597810     15.77617032    -12.08697622
  O     10.74200500      9.12306436    -12.55064316
  H     13.22167128      7.75476431    -13.84430926
  H     14.14909109      9.37069037    -10.46989133
  O     13.97011152      8.79077576     -7.74655646
  H     12.18325061     12.09284691     -7.71840588
  H     14.10285457      8.10413315    -11.33197622
  O     13.57920919     11.06926338    -10.43733002
  H     12.14423831     13.23058366     -6.67072534
  H     17.01753154     10.74621018    -11.50643490
  O     11.79689498     10.50085928     -8.43259809
  H     13.98363073     10.18606572    -15.48777433
  H     17.91570085     11.37666432    -12.59360785
  O     15.89314110     13.69492651    -11.03777876
  H     13.28964972      8.95509202    -16.10401588
  H     10.55048501     10.77599754    -13.26444419
  O      9.60360840      9.82410348    -10.02443936
  H     11.66085972      8.82194413    -12.55616107
  H     10.52102704     11.53362136    -14.61109361
  O     13.00231601     12.38954519    -12.82835645
  H     10.44226230      9.20488785    -11.63843493
  H     15.53250391     11.88486935     -8.13290208
  O     16.90679173      9.66154124    -10.15142845
  H     14.10928368      8.42979311     -8.63383880
  H     14.29320519     12.83091605     -8.13337441
  O     13.58540711     14.89482362    -11.75686424
  H     13.14220920      9.28444566     -7.79852056
  H     15.59717452     10.76187497    -13.37631492
  O     14.42437764      8.43909841    -10.48681279
  H     14.18880586     11.62678284     -9.93729454
  H     14.14511735     11.25356116    -13.54190397
  O     17.01733492     11.34617166    -12.27335999
  H     13.33151900     11.54333694    -11.24017441
  H     10.68341924     11.23680804    -17.19034133
  O     10.48531411     11.66143818    -13.65549708
  H     12.38442919     10.69744797     -9.18091728
  H     11.79116824     10.59815115    -16.31979731
  O     15.09963135     12.60289133     -8.61388422
  H     10.97356952     10.19155537     -8.82803124
  H     16.67122736     10.08677662     -6.64048916
  O     14.76492284     10.56057154    -13.81859762
  H     15.75588598     13.40679981    -10.12408804
  H     15.40501492      9.74546356     -7.46257958
  O     10.85736934     10.87553575    -16.32551811
  H     16.28348855     12.94663036    -11.50408676
  H     11.86755751     13.80472871     -9.14028126
  O     16.19186598     10.31917245     -7.43092695
  H      8.71211511      9.54502283     -9.83369459
  H     12.19952927     14.41788635    -10.51909182
  O     11.48016174     14.06394656     -9.98312646
  H      9.54801659     10.74175353    -10.35450881
  H     10.28279622      9.14639512    -15.65473151
  O     10.24014614      8.29328841    -15.20492343
  H     12.09358574     12.25191801    -13.12735229
  H     10.24237984      8.49477047    -14.25890465
          69
 Energy    -250.58663289284800     
  O      1.01257954      0.51397353      4.99370341
  H      0.08257737      0.27216026      5.13721397
  H     -2.41451922      3.48364987      1.50364986
  O      0.95136213     -0.31310178     -2.91389705
  H      1.47260851      0.30812212      5.80462031
  H     -1.81988196      0.23077340      4.21904753
  O     -1.11807006      0.47723463     -1.13723661
  H      1.03143880     -1.23755749     -2.64802427
  H     -2.42607931     -0.61461297      5.34695100
  O      1.23189476     -2.87409924     -1.61302722
  H      0.15470016      0.01627727     -2.47618575
  H     -0.04384980      2.62554809      1.34602091
  O      2.86613024     -1.46971346      0.04436223
  H     -0.44744354      0.87065108     -0.56078447
  H     -1.18819660      2.04770763      2.19316638
  O     -4.52505494      3.17201630      3.87890448
  H     -1.92703735      0.99447095     -1.05065829
  H     -4.06668584      2.24896655     -1.49866895
  O     -2.79297994     -3.12995676      3.09080215
  H      1.82825976     -2.43688263     -0.97854886
  H     -3.52642820      2.47614253     -0.06572459
  O      0.17478644      3.29678420      4.57891838
  H      1.67432673     -3.66736328     -1.90265563
  H     -2.79474934      0.29559780      2.04584023
  O      2.98329552      0.90258425     -1.56505472
  H      3.08104232     -0.67197372     -0.45536664
  H     -1.41735332     -0.38544627      2.25387597
  O     -5.22720382      0.42165456      3.68892227
  H      2.59035657     -1.16921250      0.91954406
  H     -0.49182041     -2.58558824     -1.04070741
  O     -4.06387283     -1.56176785      5.11478031
  H     -3.75521782      3.06648511      4.46721566
  H     -1.30046524     -1.27286748     -0.84768824
  O     -3.35965821      3.49787535      1.29452618
  H     -5.07496147      3.84546513      4.27116486
  H      1.55489510     -0.04140026      3.25948224
  O     -1.71050602      0.00167382      5.15603962
  H     -3.30489481     -3.06620213      2.27648537
  H      0.90642642     -1.05002311      2.28732202
  O     -0.74580178      2.87922523      1.95822046
  H     -3.27699783     -2.64405800      3.77035834
  H     -1.52988068      3.10357705      5.25067975
  O     -3.58608355      1.82697669     -0.79166225
  H     -0.07544313      3.29244550      3.64400665
  H     -2.25425063      1.79321601      5.56904604
  O     -1.92329135      0.41624124      2.44169976
  H      0.60098325      2.44646793      4.73270017
  H      1.74909068      1.44354113     -0.26131760
  O     -1.30616363     -2.22576041     -0.66665073
  H      3.60625675      1.36559815     -2.11794303
  H      1.24351758      0.86761192      1.08903097
  O      1.61734999     -0.39401855      2.36434344
  H      2.30975182      0.51800120     -2.15422232
  H     -1.24123431     -2.47162122      2.51925844
  O     -2.39800014      2.74259323      5.48026656
  H     -5.05462477      1.36487822      3.79693671
  H     -0.73751905     -2.14880357      1.08443833
  O      1.02400534      1.48166295      0.37285762
  H     -5.08603155      0.23371736      2.75094498
  H     -4.27251987     -3.41577282     -0.13663561
  O     -0.56304649     -1.99143970      2.02065190
  H     -4.66578927     -1.88061910      5.78174358
  H     -2.93027599     -2.65347563     -0.05878773
  O     -3.79943729     -2.75591586      0.36442139
  H     -4.52410639     -0.84501053      4.64103751
  H     -4.24714936     -1.00942332      0.78105988
  O     -4.35527299     -0.10430563      1.09910574
  H     -3.81985027      3.41921959      2.13870158
  H     -4.19848868      0.49700092      0.36015273
          69
 Energy    -250.58559777821492     
  O     18.09730852     10.77262923    -17.89665825
  H     17.87180285     10.15065291    -17.18794539
  H     17.13968931      6.03085823    -16.43325046
  O     15.49891292      5.91781387    -13.75014174
  H     17.45384069     11.48734788    -17.84226302
  H     17.78012625      7.55920980    -12.16346876
  O     17.05126167     12.80066760    -10.98989234
  H     15.14070039      5.04476557    -13.61081713
  H     17.19753414      6.38516641    -12.98282499
  O     20.01406776      9.79075458    -14.50198402
  H     15.68839933      5.98885353    -14.70253963
  H     20.74580707      9.17920677    -17.60693138
  O     15.41269727      7.63068517    -18.64885988
  H     16.25105455     13.08543905    -11.44858760
  H     19.92758698     10.47078781    -17.49256184
  O     13.97035768     10.74760946    -11.26382232
  H     17.60913455     12.39696842    -11.66938416
  H     18.40096787      9.31961017    -15.25748048
  O     14.71559449      8.37383722    -12.62428380
  H     20.23733625      8.88823686    -14.24240334
  H     17.90287023      8.10168852    -16.05581977
  O     18.18048569     11.33279678    -13.11552619
  H     20.38601357      9.93560532    -15.38640308
  H     15.79452448     13.47970239    -17.69019924
  O     20.30201827      7.01586017    -13.96981074
  H     14.76418067      7.28930976    -19.26013412
  H     16.00435880     12.56194867    -16.46470678
  O     15.10267259      9.63655978    -15.05502242
  H     15.08862429      8.50295247    -18.36350573
  H     16.92194593      9.59101404    -10.76749883
  O     18.90899780      6.51196956    -16.38076386
  H     14.01235025      9.90236098    -11.72874082
  H     17.53794947      9.91062327    -12.15365442
  O     16.17465727      6.06383458    -16.36893899
  H     14.60398581     10.68184860    -10.53798810
  H     14.95100162     10.91365551    -17.82495112
  O     18.01417274      6.73108786    -12.60543737
  H     14.84294459      7.47808225    -12.96210280
  H     14.55894711      9.86767101    -16.77526979
  O     20.71317046     10.02565408    -17.14585208
  H     15.57348451      8.65019065    -12.26661941
  H     16.55118893     11.52057293     -9.90241372
  O     17.65466838      8.99041478    -15.77512957
  H     18.92804694     10.92813572    -13.57642261
  H     16.36236429     10.83675259     -8.52501211
  O     15.99282460     12.58203178    -17.43639146
  H     17.54764125     11.64439292    -13.77535468
  H     13.88325543     13.73712632    -12.31160923
  O     17.18150801      9.19538746    -11.60851389
  H     21.00549265      6.53407943    -13.54364254
  H     14.29996427     12.26951635    -12.05877785
  O     14.55232358     10.04304432    -17.72830477
  H     19.49685084      6.87138330    -13.43805598
  H     19.50948055      7.83466463    -18.98702990
  O     16.20838131     10.72337227     -9.45852503
  H     14.84150204      9.19731153    -14.23790318
  H     20.87775892      7.16371368    -19.25877313
  O     14.59214351     13.11413048    -12.44710662
  H     15.98554572      9.30926305    -15.29175023
  H     15.49020147     12.62657407    -13.98694444
  O     20.33161458      7.52278029    -18.56500818
  H     19.45694589      6.59711845    -15.59029008
  H     15.60952834     11.30982069    -14.79932869
  O     15.97842656     12.20266071    -14.70398430
  H     19.45313117      6.77370807    -17.13508767
  H     17.13379539      8.11994269    -19.28213013
  O     17.99636717      8.49149138    -19.50148199
  H     15.86896616      6.57271290    -17.12865712
  H     18.00599719      9.37886823    -19.11566986
          69
 Energy    -250.58454432239554     
  O     12.12753927      4.54413618    -11.76899830
  H     12.81125113      4.22474850    -12.37228582
  H     17.37130009      7.58740090    -11.84412302
  O     15.52808347     10.23651241    -15.26718833
  H     11.58859852      5.18116088    -12.25200764
  H     13.71442750      7.77083849    -11.34936457
  O     18.28958298      7.80314222    -13.37552481
  H     14.70020224     10.18612833    -14.75950302
  H     15.16084033      7.75969931    -11.87608713
  O     16.56708846     10.27037082    -10.43530931
  H     15.38185695     10.86707941    -15.96809121
  H      9.64167910      6.20631237    -13.45808605
  O     16.65807258      2.83049660    -14.60312350
  H     18.90899439      7.06450200    -13.41706022
  H     10.94609801      6.95147038    -13.81870343
  O     11.92387840      7.77833402    -15.01237023
  H     17.65497848      7.67773204    -14.09696006
  H     20.63227965      5.14156474    -13.47005938
  O     15.87078226      4.89402331    -10.87606496
  H     17.14838483     10.81521756     -9.91029302
  H     19.18350067      4.82030404    -13.02852927
  O     13.75263642     10.39039089     -9.89549869
  H     16.80953888     10.42101401    -11.36643301
  H     14.14341753      6.81523499    -13.60571055
  O     17.81589682      5.04344074    -15.68564701
  H     17.02587786      3.60496105    -15.06520065
  H     14.27913234      5.37380979    -14.12832922
  O     11.75983862     10.96426511    -11.64181243
  H     16.79449874      2.07907124    -15.17366040
  H     16.74103959     10.48804866    -13.79649357
  O     13.30840187      9.90900305    -13.70376064
  H     12.27117570      8.61737162    -14.68538939
  H     17.84048111      9.61614535    -13.16576382
  O     16.77996552      7.52415528    -11.07962638
  H     12.68323470      7.17768938    -15.02474969
  H     15.63319864      7.04861060    -15.13151907
  O     14.24022921      7.83226851    -12.15680865
  H     15.11936938      4.87109072    -10.27107923
  H     16.16509703      8.44697910    -15.52404886
  O     10.48028169      6.48915768    -13.10121394
  H     16.20677731      5.80158484    -10.86769876
  H     17.60082516      3.27949842    -12.97795484
  O     19.72687671      5.42249491    -13.56854197
  H     14.69734276     10.40121481    -10.08700846
  H     17.36957990      4.05469719    -11.66287839
  O     14.19332865      6.28929439    -14.41982593
  H     13.54282169      9.48172568     -9.63563079
  H     10.90322969      9.21449310    -11.29243286
  O     17.33171159     10.42846641    -13.03698512
  H     18.56481317      5.19830514    -15.09624326
  H     10.55446361      7.75644309    -11.70594013
  O     16.42692437      7.52479936    -15.42075737
  H     17.36725455      5.89301366    -15.77716321
  H     15.00073228      4.22861928    -12.37514325
  O     18.05812421      3.73321487    -12.25901260
  H     11.29668720     11.75583764    -11.38171692
  H     15.16152492      3.39068799    -13.66958372
  O     10.68448155      8.34061345    -10.94820043
  H     12.47602044     10.83365459    -10.99269495
  H     13.10303683      4.32185649     -8.77171437
  O     14.51791702      3.87331737    -13.13629108
  H     13.67707254      9.20828173    -13.14259611
  H     12.88785454      4.76780586    -10.23947593
  O     13.41672609      4.92978352     -9.43586152
  H     12.72824552     10.42015509    -13.12682068
  H     13.11237894      6.78317548     -9.44618094
  O     12.99366348      7.71466501     -9.66063493
  H     16.75164777      8.39849156    -10.67154039
  H     12.08806301      7.84186516     -9.98839994
          69
 Energy    -250.58377076822993     
  O     15.87565179      9.77625872    -14.29388780
  H     15.68787832     10.72242006    -14.26210352
  H     19.88689504     12.44219167     -9.58870519
  O     16.87033479     14.29436813    -16.08826266
  H     16.53195066      9.66663324    -14.99474100
  H     22.06484551     16.00614910    -14.48100209
  O     19.97981672      8.65531116    -14.61102453
  H     16.44097218     14.71790065    -16.82620933
  H     20.57556739     16.15640796    -14.10716903
  O     20.77711992     13.87421176    -10.52396723
  H     17.40105556     13.56046106    -16.45230757
  H     21.70117260     12.52579871    -11.31292114
  O     15.71529499     13.58867129    -11.43358649
  H     20.50584097      9.46355235    -14.51228654
  H     21.99489557     11.00601072    -11.26120025
  O     21.20467432      9.55692151    -10.37492192
  H     19.88869593      8.29149996    -13.72467868
  H     16.71435116      9.37648982    -12.74675914
  O     16.75505028     11.19707787    -10.13270186
  H     19.94291999     14.04735458    -10.98560912
  H     17.01436821      9.90885029    -11.28716453
  O     17.97880008      9.53279979    -16.22404906
  H     21.34577924     14.63570947    -10.69033127
  H     18.32745855     11.34918717    -16.65515260
  O     20.80037730     13.37108162    -15.73410155
  H     14.85270647     13.96096520    -11.27043626
  H     19.34992952     12.52417793    -16.63451784
  O     22.44347857     15.96597479    -11.40172029
  H     15.70678498     13.24617249    -12.34370922
  H     23.49334245     14.35919426    -14.46865313
  O     21.08387782     11.12992729    -14.16301827
  H     20.66469227      8.94792128    -10.90208809
  H     24.01855142     14.86949695    -15.83230240
  O     19.40442684     11.63255631     -9.38251292
  H     21.64870588      9.02678359     -9.71631703
  H     18.80064269     14.84407051    -13.55334741
  O     21.46255817     16.46869938    -13.88533617
  H     16.37084122     12.02190190    -10.44577139
  H     18.25817378     15.00449624    -14.99958560
  O     22.21167856     11.81815435    -11.73451536
  H     17.63898882     11.40657212     -9.79356788
  H     23.48693105     14.59110160    -12.25638575
  O     17.32807782      9.32955505    -11.99972537
  H     18.68521528      9.17778188    -15.65653314
  H     23.42082296     13.06739716    -12.46363019
  O     18.45233232     12.27631071    -16.89079477
  H     17.90036900      8.93452205    -16.96361573
  H     18.71303731      8.34807651    -11.87406892
  O     23.22062298     14.70890354    -15.33633000
  H     20.20369116     13.97224218    -15.26527974
  H     19.34370229      6.94607560    -11.69652357
  O     19.03535824     15.13944734    -14.44463028
  H     21.66507589     13.80024408    -15.74704127
  H     19.39190245     11.40450586    -13.52718509
  O     23.80790475     13.87675800    -12.82125094
  H     22.05149482     16.21578035    -12.25784582
  H     18.20771879     10.82027301    -12.69816482
  O     19.55885377      7.86238142    -11.85136049
  H     22.76631004     16.76889332    -11.00176784
  H     16.19624368     13.21982620    -14.71966370
  O     18.54206837     11.61850982    -13.12560491
  H     21.55495244     11.38183688    -13.35734595
  H     16.95511691     12.23790248    -13.79701908
  O     16.07620936     12.60229745    -13.98843529
  H     21.07421320     11.89452046    -14.75437644
  H     17.52827650     14.12152317    -11.62457337
  O     18.43602714     14.07533109    -11.94538298
  H     19.98008088     10.91000216     -9.65618756
  H     18.54824759     13.17162233    -12.28510004
          69
 Energy    -250.58337875433631     
  O     11.81019439      9.33373541    -13.77514320
  H     12.10657252     10.25134840    -13.80501072
  H     20.50829517      8.51544829    -16.09703165
  O     16.86362457      6.49887851    -13.61640204
  H     12.20596594      8.89394825    -14.53874531
  H     14.91884642     12.03224820    -16.45519215
  O     17.80702533     10.53533568    -12.15346210
  H     16.43146275      6.29756597    -12.77758079
  H     13.67057583     11.28140225    -16.97494065
  O     16.75174816     12.05200712    -16.78376273
  H     17.67312511      6.98112982    -13.39915779
  H     15.99835439      7.89985207    -14.36458969
  O     13.40166194      5.34305388    -15.38570397
  H     17.73101572     10.35008611    -11.21040982
  H     16.31405020      8.67162933    -15.64851879
  O     14.63562876      8.84629099    -10.82053443
  H     16.89324445     10.63036045    -12.46437512
  H     11.22690973      7.85323200    -11.06112748
  O     15.72178197      6.23876988    -11.09909290
  H     17.34081988     11.73982677    -16.07554517
  H     11.92948176      8.44541038    -12.30811355
  O     15.18244436     10.51436943    -12.96520935
  H     17.16404141     12.83049292    -17.15087568
  H     18.70913714      7.29830636    -11.16044127
  O     16.11788350      9.77802187    -18.39940695
  H     12.92217316      4.53910913    -15.56751266
  H     17.96494309      7.89702717     -9.95814107
  O     17.51754548      7.94773340    -16.96054696
  H     13.43887799      5.42880637    -14.41603200
  H     12.89193756      6.39352218    -12.30498508
  O     16.20041731      5.63833093    -16.18864239
  H     14.80151266      9.42922302    -11.57642662
  H     14.22195086      5.65413395    -12.11478250
  O     19.72339339      8.68912575    -15.58442298
  H     13.71747431      8.55901260    -10.90093165
  H     18.34700397     11.08650186    -13.92587441
  O     13.96226577     11.95403721    -16.34792193
  H     16.61854264      6.31995725    -10.74241415
  H     18.97848624     10.37256529    -15.13838565
  O     15.72583790      8.67003737    -14.88495970
  H     15.32393275      7.11376028    -10.99164512
  H     19.40619295      8.23781598    -13.79241706
  O     12.07181384      7.92398968    -11.49690467
  H     15.35405933      9.91780971    -13.71096450
  H     18.61674623      8.94577638    -12.66664740
  O     18.25929886      7.06074126    -10.33977551
  H     14.44489340     11.08353764    -13.21087475
  H     16.13784752      9.31933081     -9.89809392
  O     13.44590093      5.70231307    -12.68689738
  H     16.36402909     10.58551030    -17.92972009
  H     16.90406405      9.91871506     -8.69930815
  O     18.46625856     11.14916666    -14.88038862
  H     15.15416626      9.74516158    -18.38916688
  H     13.18189051      9.11011662    -17.30897688
  O     19.01842313      8.10208500    -12.91880920
  H     17.05420390      7.10379322    -16.85415433
  H     12.56668396      9.60611865    -18.63906746
  O     17.02173924      9.56268841     -9.57674184
  H     17.05573145      8.49024034    -17.61648485
  H     12.56715426     12.78772264    -13.66583421
  O     13.27774688      9.76278431    -18.02329035
  H     16.53333118      5.76553366    -15.28761174
  H     13.28151122     11.99472309    -14.78847543
  O     12.94778160     11.93921871    -13.87364041
  H     15.25814273      5.47647972    -16.07552039
  H     13.16247501      7.11253565    -15.80907300
  O     13.22027508      8.07397927    -15.87566347
  H     18.96725766      8.37823256    -16.11423065
  H     14.09392249      8.31291107    -15.53005820
          69
 Energy    -250.58231508557833     
  O     20.53124560      6.66702649     -7.61044557
  H     20.71311413      6.36729822     -8.51185729
  H     17.71418501      4.87836219     -7.02942470
  O     17.33020780      6.15788551    -12.09281584
  H     19.90220282      6.03508388     -7.24314244
  H     17.04876229      7.79409546     -8.73726986
  O     16.56646934      9.82600871    -13.38216034
  H     18.14103864      6.09994416    -12.60994194
  H     16.71526297      8.72272177     -7.55124007
  O     15.73165553     10.97146169    -10.88610743
  H     17.55756454      6.73414688    -11.34397138
  H     20.40634473      6.01843380    -11.23224745
  O     19.31209837      9.18317231    -12.77820463
  H     16.27304318     10.16802297    -14.22371500
  H     20.01574764      5.00916049    -10.10015532
  O     15.08020984      7.66993070    -12.51688365
  H     16.00378036      9.05923423    -13.18345155
  H     17.52553864     12.92069375     -9.19328474
  O     19.49467250     10.11047927    -10.11044395
  H     15.19368362     10.24598455    -10.54131578
  H     16.86985293     11.65884317     -9.80316777
  O     19.07085591      3.64135431     -9.45193367
  H     16.03436902     10.69308058    -11.75801026
  H     12.56953177      6.34765298     -9.00701747
  O     13.78269077      3.55057440    -10.87563598
  H     18.40871467      9.43207528    -13.00831614
  H     11.33999290      7.28642587     -9.06766700
  O     19.96425981      6.55119473    -13.03123498
  H     19.50200907      9.60360736    -11.92929280
  H     16.13671158      6.24252355     -7.77641882
  O     18.25806291      7.60748213     -9.97983232
  H     14.88868447      7.98973109    -11.62136661
  H     16.24245237      4.94697864     -8.65171327
  O     18.63196358      4.66791956     -6.79134911
  H     15.82910477      7.05847484    -12.45151149
  H     13.63490177      8.21863186     -9.76185326
  O     16.36845775      7.98546776     -8.07168437
  H     19.96181236      9.88139645     -9.29535616
  H     15.09278253      8.41901703     -9.25766200
  O     20.42396521      5.87177552    -10.28021196
  H     18.87861374     10.81673442     -9.87410610
  H     20.47272934      8.39549253     -7.54214120
  O     17.58548737     11.96981910     -9.21945295
  H     18.16448834      3.66497123     -9.78665573
  H     21.20171787      9.66879187     -7.06211446
  O     12.18288299      7.10912198     -9.47596309
  H     19.00522092      3.83614625     -8.50892747
  H     15.57266164      3.88158767    -10.55881537
  O     16.11206464      5.27373754     -7.74853665
  H     13.33879372      2.80354458    -11.26752880
  H     16.72339550      4.82509521    -11.01269496
  O     14.47930149      8.63352762     -9.97530052
  H     13.46438165      4.34501778    -11.34063847
  H     14.23544897      5.00489992     -7.99433647
  O     20.44936439      9.36866931     -7.56538759
  H     19.78236939      7.50670735    -12.96764474
  H     13.45445393      4.32053617     -9.13446154
  O     16.44780949      4.20998521    -10.31915009
  H     20.51503917      6.42721789    -13.79920556
  H     18.64572911      9.86896100     -7.07821108
  O     13.35616302      4.91929329     -8.38358466
  H     18.60955144      8.49927858    -10.09839620
  H     17.60798313     10.83216502     -7.67179271
  O     17.71868521     10.13147865     -7.01676132
  H     19.01417354      7.00629702     -9.93213972
  H     13.59399614      6.47842508    -12.32908577
  O     12.92498069      5.88667668    -11.96307805
  H     18.59642451      4.20147466     -5.95966889
  H     12.54081069      6.35296804    -11.20961820
          69
 Energy    -250.58215744449240     
  O     11.27362266      3.23263971    -11.67247772
  H     10.66983391      2.52443329    -11.46086556
  H     16.96363366      6.04829182    -16.56311967
  O     17.87197374      4.37208191    -10.89819886
  H     11.38345678      3.75169490    -10.85539195
  H     17.50691635      6.15044887    -13.17603454
  O     14.97356322      8.35526230    -11.86533461
  H     17.79165903      4.48465687    -11.85396628
  H     17.71968722      5.36854629    -14.49428527
  O     15.34053230      9.26356899    -16.17996917
  H     17.23869853      3.69434813    -10.63488666
  H     11.75432566      8.09139883    -13.52257174
  O     18.21419973      6.83538215     -9.84503038
  H     14.77794749      7.41142615    -11.74050109
  H     10.89053017      6.82713185    -13.34540478
  O     14.38005504      4.57335167     -8.93954824
  H     14.66741787      8.79039393    -11.06161770
  H     14.31099729      5.31491698    -10.62222749
  O     15.93165277      2.47712453    -10.01020202
  H     15.42862591     10.05696340    -16.70120397
  H     14.39467915      5.18180912    -12.17497808
  O     13.50741398      8.40535612    -14.22882099
  H     16.21231151      9.09098898    -15.78074095
  H     13.08335333      2.53436989    -11.80205026
  O     15.32868574      6.50553925    -16.97886949
  H     19.01976317      6.86215392     -9.33497886
  H     14.35926364      2.81757317    -12.61554824
  O     11.63562496      4.68594646     -9.42599746
  H     18.11401100      5.91843629    -10.16145019
  H     13.08712157      8.39077713     -9.68903574
  O     17.74130184      8.55512746    -15.12831876
  H     14.98192563      3.84485615     -9.13108168
  H     13.44453138      9.63707644     -8.84716488
  O     17.87823354      5.90931216    -16.25751575
  H     14.89611640      5.33674449     -8.63595423
  H     17.95112674      7.59733145    -11.54096239
  O     17.48226096      5.26423784    -13.56433001
  H     16.16821415      1.61799331     -9.67080077
  H     16.69325815      8.11872798    -12.26106305
  O     10.98959129      7.73926083    -13.04786227
  H     15.23735668      2.33376521    -10.67836604
  H     15.15202176      7.65570881     -8.70261460
  O     14.17364325      5.78373837    -11.45570602
  H     14.05299688      8.80449060    -14.91804172
  H     16.54118228      6.99664640     -8.91849508
  O     14.00370833      2.26889001    -11.89996803
  H     14.01164804      8.47186655    -13.40572765
  H     11.50038490      7.54078944    -11.31834007
  O     13.82682769      8.93379857     -9.36536107
  H     14.58039072      6.13367926    -16.49460486
  H     12.69529073      6.67931392    -10.87919440
  O     17.60472289      7.82666524    -12.41189504
  H     15.26853035      7.46148180    -16.85689711
  H     15.84813165      4.52470991    -13.64667639
  O     15.70459613      6.90871359     -8.44571954
  H     11.54529990      5.62276407     -9.64253020
  H     14.41755047      4.69938223    -14.25298567
  O     11.99145302      7.25208131    -10.53647359
  H     12.54377319      4.57530244     -9.10837439
  H     11.07766440      4.35646477    -13.10649086
  O     14.94107382      4.19089600    -13.61940276
  H     17.94968313      7.70640010    -15.53769050
  H     10.13895907      4.62351958    -14.30004776
  O     10.92993276      4.93899080    -13.86746598
  H     17.81510336      8.41697108    -14.17469565
  H     12.45890338      5.44020612    -14.82834890
  O     13.29580861      5.78732845    -15.15939632
  H     18.36533043      5.55521794    -16.99634940
  H     13.37140868      6.69118108    -14.81803701
          69
 Energy    -250.58177742223717     
  O     16.82024665     14.80898469    -15.74236757
  H     17.65809423     14.54562236    -16.17090310
  H     19.16963715     11.22772423     -9.75387135
  O     21.89098632     10.33701865    -15.64337847
  H     16.37861307     15.40487333    -16.34050446
  H     20.67121734     17.01968024    -12.11449449
  O     19.61571295     13.11959901     -9.77765260
  H     21.86026890     11.10746950    -15.04842928
  H     19.19548672     16.57812412    -12.20103089
  O     15.26397324     11.91013441    -12.30838036
  H     22.73730805     10.36278169    -16.08312408
  H     21.07409791     12.55918462    -10.71410589
  O     21.61917327      9.49613379    -10.93934462
  H     19.88583625     13.99665340     -9.47969517
  H     21.91664158     11.30932200    -11.06352321
  O     16.85322350      9.54655025    -11.62753754
  H     18.86271326     13.25076364    -10.37271198
  H     17.87041542      9.05887747    -14.60216046
  O     19.51434226     11.27398917    -16.95185602
  H     14.31180646     11.96499405    -12.31949878
  H     17.74941592      9.00460761    -13.03635763
  O     20.74056770     14.96417167    -14.53039701
  H     15.56202097     11.98782878    -13.22949524
  H     19.86568896     14.34564820    -16.12184575
  O     20.52366283     15.74035467     -9.29879497
  H     22.09404524      8.80504972    -10.48558918
  H     19.32867484     13.07255424    -16.84261941
  O     21.53939161     12.41021179    -13.92738382
  H     21.45656274      9.17596337    -11.84477792
  H     23.11183320     17.18022695    -13.07942070
  O     17.08093778      9.85752009    -16.15095840
  H     16.25899951     10.29618464    -11.72651491
  H     22.59225943     15.98824396    -12.23881638
  O     18.99609333     10.32099737    -10.03179793
  H     17.54097730      9.81168715    -10.99641049
  H     17.66700528     15.33700400    -14.11517034
  O     19.84481923     16.99013225    -11.61650899
  H     18.76791660     10.70362068    -16.74071094
  H     17.98239325     14.72560924    -12.72406412
  O     21.86351867     12.26517054    -11.19206673
  H     20.29582346     10.85239476    -16.57488469
  H     22.64285563     13.96417168    -10.98921617
  O     18.36183794      8.91791714    -13.78547125
  H     19.88582156     15.11102130    -14.10047483
  H     22.12661839     15.19471651    -10.22083468
  O     19.17645958     14.02024132    -16.71282692
  H     21.36378988     15.57454916    -14.11686315
  H     21.42104465      9.12991934    -14.24380261
  O     22.36175274     16.60509239    -12.95730239
  H     20.45751819     16.34200651     -8.56224719
  H     20.12884339      8.61237203    -13.57883363
  O     18.23463525     15.42755925    -13.34099349
  H     20.21255630     16.22290148    -10.08565238
  H     18.79752646     10.70897645    -13.51154543
  O     22.77478979     14.91485286    -10.87947625
  H     21.33652417     13.32514219    -14.16611105
  H     19.77929499     11.89881261    -13.73955678
  O     21.08670115      8.68597687    -13.45643990
  H     21.72074138     12.37949300    -12.97754491
  H     17.36622945     12.07203822    -14.42386046
  O     18.86782564     11.67204139    -13.52545853
  H     16.43367360      9.54518730    -16.77854933
  H     16.46812408     13.09201345    -15.17293123
  O     16.48095559     12.20053887    -14.80304408
  H     16.72752823     10.67582914    -15.76563028
  H     18.15417869     12.65951676    -12.24259555
  O     17.64445089     13.27438198    -11.68861218
  H     19.85085264      9.96538210    -10.30243659
  H     16.74367929     12.93226183    -11.68177407
          69
 Energy    -250.58028406720013     
  O     13.58860080     11.32971707    -15.09598024
  H     13.71689915     12.23564517    -15.36682787
  H     14.37251141      4.87926209    -16.07542490
  O     12.60928028      4.87322421    -16.71146712
  H     14.34629930     11.10245614    -14.52863419
  H     16.13346105      8.47518170    -10.91728275
  O     14.07500860      6.13230987    -11.52900095
  H     12.25161154      5.74127653    -16.95306632
  H     15.62419835      7.05511250    -11.27227201
  O     18.39884338      5.62970270    -11.59330372
  H     12.28628346      4.25516937    -17.36412312
  H     14.18805846      7.87678485    -14.30393303
  O     12.01904254      4.07887815    -13.95988268
  H     13.32061956      6.29287909    -10.95119801
  H     13.46330083      8.51381147    -13.05791486
  O     11.39010292     10.43634199    -13.50749528
  H     13.86209037      6.59592828    -12.35612692
  H     13.50512226      9.94210757    -16.38600432
  O     11.60106280      7.38802865    -17.38495126
  H     18.87544829      5.98200520    -12.35508808
  H     14.33708409      8.66722954    -16.60968664
  O     19.41522108      6.53738998    -14.13044381
  H     17.77656295      6.31850145    -11.32528518
  H     11.19701047      6.66294604    -11.18441669
  O     10.91294024      7.89147610    -14.65599479
  H     12.15396925      4.34458505    -14.87624153
  H     11.10564052      6.89704218     -9.65738829
  O     17.39324637      3.26071506    -12.46269018
  H     12.89382215      3.85252701    -13.62083299
  H     12.21424356      9.88866565    -12.03820032
  O     17.92301488      4.45289323    -15.02087145
  H     11.04946379      9.64867057    -13.95233647
  H     12.35479224      8.68872975    -11.03635477
  O     15.20101284      4.95352208    -15.58704691
  H     12.06476566     10.80471793    -14.09230406
  H     14.51537188      4.62968866    -12.41113784
  O     16.41622055      7.61029407    -11.23862202
  H     11.08729363      7.66788076    -18.13769240
  H     15.58919860      3.57848018    -12.79646107
  O     13.49480896      7.74871679    -13.64511131
  H     12.30880063      8.04920639    -17.26730625
  H     10.99307240      5.25559081    -13.01234842
  O     13.57026947      9.15674122    -16.94170888
  H     20.28680458      6.51576652    -14.51555460
  H     10.42843588      6.65559356    -13.31101300
  O     11.65735330      7.05468959    -10.41796317
  H     18.91185727      5.80500250    -14.53012300
  H     14.37185870      9.93493274    -10.86494713
  O     12.81100926      9.45275685    -11.41051120
  H     11.81788922      7.76601877    -14.32631911
  H     15.30323925     10.75463930     -9.93656693
  O     14.72283516      3.92483677    -13.04226374
  H     10.95738673      7.72600640    -15.60295152
  H     15.45830867      6.73937787    -15.63410600
  O     10.52443749      6.00066512    -12.60841778
  H     17.80978448      2.53353202    -12.00823227
  H     16.23078322      7.95573814    -15.03343431
  O     15.30334313     10.14868865    -10.67250462
  H     17.74762913      4.07864729    -12.06978074
  H     16.35553604     10.00782710    -13.67970619
  O     15.49031001      7.70561534    -15.60106750
  H     17.78761957      3.91088704    -14.23330444
  H     15.57883573     10.61982069    -12.50544599
  O     15.65909056     10.64141248    -13.46620942
  H     17.04380435      4.59614442    -15.39395075
  H     18.17849132      7.89594528    -13.92656961
  O     17.39469159      8.42669290    -13.73812791
  H     15.02521705      4.61126332    -14.69783263
  H     17.05406838      8.11824603    -12.88582393
          69
 Energy    -250.58021974100402     
  O     12.22832814     10.87935727    -13.49619830
  H     12.73702243     11.69020649    -13.61481733
  H     15.40217541      4.84181154    -16.15333501
  O     16.39141021      6.78803463    -13.33816596
  H     12.49671037     10.30373756    -14.22590682
  H     20.98277553      8.06775115    -13.75589545
  O     17.75632705     10.34177571    -10.96000065
  H     16.23723538      6.26044763    -14.13035424
  H     19.62295778      8.17787449    -13.02831210
  O     18.41506634     12.09665376    -15.42424848
  H     16.19551093      7.70553786    -13.59386163
  H     15.37180566     11.57995055    -16.60115648
  O     13.16732390      6.55958714    -14.66598158
  H     16.95200909     10.72356536    -11.34341729
  H     16.55865152     12.22647382    -15.83196438
  O     14.37107389      9.07036085     -8.81115079
  H     17.57875706     10.21034923    -10.02070630
  H     15.86212425     10.05389968    -13.49405805
  O     13.97356668      6.88387937    -11.93141369
  H     18.73817285     11.88872239    -14.52902136
  H     16.71264462      9.43912546    -14.66744925
  O     15.47256843     11.22817153    -12.15378677
  H     18.99828779     12.76494054    -15.77545889
  H     17.32237130      7.86211781     -8.83938387
  O     16.38484470      7.98821917    -17.31914066
  H     13.10058071      7.47576105    -14.97051941
  H     17.82787291      7.08988930    -10.06988859
  O     14.70522934      6.25497394     -9.28072407
  H     13.22532693      6.59878673    -13.70345714
  H     19.83355405     10.39403098    -13.27059656
  O     18.25622284      9.31541033    -15.70425691
  H     13.93887917      9.37367291     -9.62122762
  H     18.89857668     11.05605635    -12.24855304
  O     15.49253119      5.71462600    -15.78029192
  H     14.35231920      8.10648255     -8.85453795
  H     17.73029131      7.33249397    -12.29199449
  O     20.15693975      8.54438958    -13.75380626
  H     14.10397400      6.57412821    -11.02643165
  H     18.14682674      8.63655851    -11.52061668
  O     15.60765520     12.28222572    -15.98298868
  H     14.83195287      6.78816103    -12.36782515
  H     16.00930126      9.54080036     -8.48510587
  O     15.92114689      9.32728449    -14.12660640
  H     14.75413219     10.67287807    -11.81258894
  H     17.06630217     10.08765543     -7.49500199
  O     17.33361091      6.98702162     -9.24802183
  H     15.06534959     11.95328188    -12.64306244
  H     15.36012004      9.36077460    -17.64487213
  O     19.40720078     11.23129531    -13.05135461
  H     17.13686992      8.35161609    -16.83160549
  H     14.57702346     10.22777350    -18.65791290
  O     18.43932994      7.74877336    -11.77825612
  H     16.09569062      7.20474764    -16.83690751
  H     12.83712677     10.00133998    -12.04784773
  O     16.96458229      9.68331460     -8.35208920
  H     14.56214753      5.50944943     -8.70383456
  H     13.53629870      8.66097772    -11.64080506
  O     14.79869342     10.15187269    -17.73374521
  H     15.66299561      6.43109684     -9.27978534
  H     13.97552145     13.96024073    -13.87741360
  O     13.40284584      9.58292852    -11.38210189
  H     18.39157681     10.26969642    -15.77292833
  H     14.62838126     12.78519285    -14.64393276
  O     14.14131039     13.02256832    -13.83434640
  H     18.93943629      8.97512724    -15.11267838
  H     13.67605265      9.55697100    -16.30038805
  O     13.45725709      9.23977994    -15.41747919
  H     14.61525706      5.96356877    -15.43573064
  H     14.29777082      9.25543214    -14.93404448
          69
 Energy    -250.57918541512680     
  O     15.43430415      9.62246668    -14.21314964
  H     15.20063503     10.56118635    -14.18510829
  H     19.81557219     11.00786848     -9.84444353
  O     16.03793372     14.38003457    -15.94976176
  H     16.03694554      9.53254441    -14.96007046
  H     21.22864025     16.47212636    -14.40974147
  O     20.34112240      9.04596707    -15.10944817
  H     16.62913008     13.76460229    -16.42231288
  H     19.73815646     16.50877682    -14.03314864
  O     20.34977002     14.06400028    -10.51461407
  H     15.47888253     14.78653808    -16.60657714
  H     21.40829197     12.85914846    -11.36844548
  O     15.56066337     13.30180456    -11.40356264
  H     21.09243648      8.71679860    -15.59668776
  H     21.84543538     11.37360267    -11.37168685
  O     21.18754414      9.86411355    -10.51185026
  H     20.55974783      9.95278796    -14.83408617
  H     16.39859729      9.31933755    -12.69594645
  O     16.50641330     11.06298620     -9.86128382
  H     19.55202998     14.16092666    -11.05870537
  H     16.74991925      9.82080100    -11.24545506
  O     17.80056389     10.10367715    -15.84496389
  H     20.85398044     14.87726924    -10.63587348
  H     17.81104932     11.74954176    -16.82389130
  O     20.22163049     13.71387209    -15.92715282
  H     15.77889352     12.55272421    -10.83499449
  H     18.71366965     13.00954265    -16.83580647
  O     21.77858462     16.33739183    -11.36666071
  H     16.38360706     13.79812112    -11.50327757
  H     22.78639423     14.98286474    -14.57747290
  O     20.58100146     11.61911114    -14.15737221
  H     20.68701105      9.34706379    -11.16853352
  H     23.19206069     15.66138540    -15.90822783
  O     19.13986073     11.65580155     -9.61171754
  H     21.64037266      9.23690103     -9.95457037
  H     18.99186651     14.78783293    -15.08171813
  O     20.60602436     16.83919838    -13.76959788
  H     17.44363150     11.29482999     -9.72841777
  H     17.50081758     15.19644397    -15.04757087
  O     21.95201359     12.21060235    -11.84076574
  H     16.14712825     10.86998170     -8.99886067
  H     22.88443471     15.11370574    -12.35704141
  O     17.08906864      9.34757494    -12.01582937
  H     18.60386604      9.57318626    -15.78059829
  H     22.96809559     13.59997836    -12.61867661
  O     17.83064352     12.68567760    -17.05748978
  H     17.78083635     10.61566281    -15.02551863
  H     18.77400335      8.66332149    -12.21196797
  O     22.44029956     15.35189754    -15.41020885
  H     20.41392515     12.96275603    -15.34751507
  H     19.89245079      8.55242597    -13.28362634
  O     18.35259371     15.35420273    -14.62409651
  H     21.00338135     14.27967429    -15.90324908
  H     17.77043601     10.83105065    -12.81963864
  O     23.23494827     14.45758315    -12.97299351
  H     22.04253350     17.15506413    -10.95340663
  H     17.06993439     11.95667417    -13.63195337
  O     19.72378993      8.52461407    -12.33583777
  H     21.30281118     16.57625986    -12.18257609
  H     15.27376440     12.81274185    -13.10694455
  O     17.93671574     11.60679026    -13.37304489
  H     19.66072751     11.63832997    -13.85505387
  H     15.47291593     13.16941184    -14.62676870
  O     15.39324725     12.44403350    -13.99645983
  H     21.13147347     11.82800936    -13.39084691
  H     18.14896645     13.20934756    -12.44679284
  O     18.16704141     14.12878797    -12.14864226
  H     19.54705869     12.52208206     -9.73438271
  H     18.21408222     14.66402525    -12.95238219
          69
 Ord_Energy   -249.515884    
 O   -3.17809558       2.28429484       1.39481580    
 H   -3.06629729       1.99791646       2.30966258    
 H   -3.09914875       1.47354090      0.867276788    
 O   -3.57096720     -0.153769225      -5.81670618    
 H   -3.04886556      0.643386722      -5.66489983    
 H   -4.23633909     -0.194338426      -5.11798191    
 O   -1.81056321       2.29515505      -2.56904268    
 H   -1.74696064       2.30396485      -3.53211904    
 H   -2.72868013       2.07765293      -2.35585690    
 O   -3.27214718     -0.119191103       8.98000039E-03
 H   -2.62631655     -0.748623610     -0.330400854    
 H   -3.73996401     -0.542026281      0.740299284    
 O   -5.14457417     -0.557594597      -3.46263528    
 H   -4.47916269      -1.23889470      -3.27699518    
 H   -4.88697815      0.243780866      -2.98227882    
 O   -1.88726079      -2.25607800      -5.44363880    
 H   -1.82437432      -2.82185173      -6.20864201    
 H   -2.50466752      -1.53775513      -5.67379093    
 O   -3.24179173      -2.54070497      -2.99009895    
 H   -2.56851983      -2.35070086      -2.31904817    
 H   -2.77528858      -2.60486412      -3.83150840    
 O  -0.937400103       3.21791840      -3.90248001E-02
 H   -1.21522152       3.07388663     -0.953513682    
 H   -1.71716130       3.05635953      0.508245230    
 O   -1.60086977       1.89901149      -5.33861542    
 H   -1.24104333       2.43491197      -6.04058599    
 H  -0.969441235       1.17175019      -5.18663311    
 O   -5.60505295       2.93422246      0.251977146    
 H   -5.93193483       3.80254245      0.472295612    
 H   -4.76714325       2.81833220      0.731815696    
 O   -6.88394356      -1.28420961      -1.40460014    
 H   -7.72803783      -1.59359193      -1.72712660    
 H   -6.37040997      -1.02540541      -2.18582487    
 O   -4.57843637     -0.933278024       2.37628889    
 H   -5.36661196     -0.491131812       2.02442527    
 H   -4.10172653     -0.315700561       2.94190717    
 O   -2.76449108      0.830355644       3.73311853    
 H   -2.57977724      0.903885424       4.66502523    
 H   -1.97839141      0.425758898       3.32026482    
 O   -4.92547274      -3.39237690     -0.866134524    
 H   -4.38393688      -3.26281404      -1.65517116    
 H   -5.63707781      -2.74675703     -0.933707714    
 O    7.21946731E-02  0.310902804      -1.91624141    
 H  -0.592079580      0.983868182      -2.12787628    
 H   0.500249684      0.598435700      -1.10064256    
 O   -3.47566009      -3.31656384       1.50378060    
 H   -3.97313809      -3.45746613      0.685420454    
 H   -3.92560863      -2.59508514       1.96371710    
 O  -0.641168833     -0.255576700       2.45787668    
 H   -9.85471234E-02  0.240731984       1.83406150    
 H  -0.668833554      -1.16679406       2.14067531    
 O   -4.37248421       1.51799357      -1.84113169    
 H   -4.91261387       2.11628437      -1.31303632    
 H   -4.02732277      0.852992177      -1.22071016    
 O  -0.839956105      -2.89981222       1.42482650    
 H  -0.368734449      -3.67163444       1.72517860    
 H   -1.79250288      -3.10651350       1.49048018    
 O   -6.58526802      0.296255857      0.974514842    
 H   -6.72368526     -0.207257718      0.161703154    
 H   -6.39218044       1.20204735      0.709147274    
 O   -1.39111197      -1.85985744      -1.09865689    
 H   -1.06098640      -2.27079558     -0.290215701    
 H  -0.779256523      -1.16331232      -1.37502933    
 O   -9.65819973E-03 -0.207276687      -4.71468925    
 H   0.171232730     -0.168492973      -3.76693940    
 H  -0.522101045      -1.00887895      -4.87804604    
 O   0.883400023       1.31600583      0.594454110    
 H   0.274517596       2.05552936      0.414256990    
 H    1.71878052       1.70255148      0.844731987    
          69
 Energy    -250.57801491519416     
  O     15.80531625     11.91572259    -17.48517122
  H     15.63025627     12.40406105    -18.28494435
  H     15.50161835      6.45098006    -13.68096339
  O     16.40392683      7.57177031    -12.54666315
  H     14.94259310     11.74375285    -17.06559297
  H     16.79348997      4.28734787    -16.16707780
  O     17.56414847     12.68291748    -15.37017872
  H     16.06778225      7.86733066    -11.69255211
  H     16.13808166      4.58291766    -14.80614132
  O     19.15463435      6.28613357    -17.05114530
  H     16.24091305      8.31490836    -13.15064028
  H     15.65207182      7.86107492    -16.99306919
  O     12.72913499      8.49043438    -16.80752218
  H     16.97349087     12.62167367    -14.60635415
  H     15.58580832      6.36131687    -17.38254573
  O     17.05216355     10.93136898    -11.13891380
  H     17.00748808     12.52430166    -16.14075010
  H     14.69436483      9.14097381    -14.24904316
  O     13.09468471      8.08275796    -14.06031413
  H     19.24037974      7.21798372    -16.81375825
  H     15.90763504      9.46611541    -15.18406553
  O     12.91564813     12.03723855    -13.59591275
  H     19.38478996      5.79034395    -16.25493816
  H     12.94349095      9.16771456    -12.58191769
  O     19.38065544      4.87948083    -14.56495778
  H     13.52019385      7.94383978    -16.95299389
  H     13.79350383      9.61728956    -11.37275308
  O     15.33264792      9.01431432    -10.38695378
  H     12.07293470      8.19720914    -17.43500853
  H     19.37216465      9.17218380    -12.71504093
  O     16.85736083      5.13188476    -17.90808041
  H     16.63020942     11.50679557    -11.78852389
  H     19.58811467     10.59239240    -13.26424664
  O     14.94559624      5.98066523    -14.32084939
  H     17.89571885     10.65789572    -11.52820222
  H     19.50629196      9.73475140    -15.68450169
  O     16.86004183      4.09564348    -15.22354701
  H     12.77116951      8.20052518    -14.96176199
  H     19.05884312      8.39100735    -15.05702535
  O     15.08553743      7.07336681    -16.96552479
  H     13.55776425      7.23477606    -14.03762095
  H     19.20846455      6.55688209    -13.76246085
  O     15.58913933      9.50293097    -14.27368690
  H     12.21402001     12.61669211    -13.31096069
  H     18.11446809      7.42366092    -13.08530057
  O     13.06655287      9.88680607    -11.94616636
  H     12.94158015     11.29956751    -12.96002214
  H     20.62682794     12.00860098    -15.09962804
  O     19.34936118     10.10447564    -12.46777667
  H     18.48118983      4.54292581    -14.72631173
  H     19.08359086     11.89970501    -15.13669457
  O     19.12891857      8.87133539    -15.89577943
  H     19.90852805      4.13514542    -14.28886194
  H     17.52770803      9.21937571    -16.59342536
  O     18.98895124      7.45867790    -13.49966105
  H     15.96842706      9.72419115    -10.59889020
  H     16.44967418     10.20885792    -17.18571421
  O     19.90509538     11.39385417    -15.00075127
  H     15.32286521      8.92985756     -9.43765189
  H     14.81080538     12.34010549    -13.36852390
  O     16.60201968      9.31312383    -16.86152527
  H     17.69375226      5.57592731    -17.67602736
  H     15.76679197     11.17631179    -13.63664390
  O     15.74396374     12.10332441    -13.34831446
  H     17.01035665      4.66755307    -18.72641036
  H     13.13418539     10.36751130    -16.46654183
  O     13.45257949     11.26368598    -16.31122145
  H     15.06643224      6.39578240    -15.18727376
  H     13.22849704     11.49874114    -15.40192626
          69
 Energy    -250.57607669711263     
  O     -5.81606610      1.03556454     -0.63093681
  H     -5.27825859      1.76887395     -0.29921887
  H      0.43978343      1.26906837      4.68130263
  O     -6.21347718     -0.34394022      1.80422712
  H     -6.10443098      0.54929291      0.15191046
  H     -0.87360618      3.97628846      2.08394212
  O     -0.15299154     -1.80387182      0.57778113
  H     -5.68568388      0.22962992      2.38808004
  H     -0.76162175      3.15809122      3.37659582
  O     -1.58402712     -0.44654289     -1.42197271
  H     -7.01012770     -0.56091078      2.28160962
  H     -4.15947734      3.45399886      1.11919830
  O     -4.06759751     -0.34386848     -4.23755881
  H      0.44319257     -1.11920563      0.91498859
  H     -3.33529957      2.35616588      0.41555182
  O     -4.28785524     -1.08913761     -1.60759117
  H     -0.54789509     -1.44334124     -0.22607503
  H      1.04486941      0.82488054      2.23891519
  O     -1.88119917      1.33454620     -3.54665112
  H     -2.49904503     -0.76142336     -1.43372272
  H      1.59727430      0.96840543      0.79824057
  O     -3.39429221      3.44160834     -2.35794627
  H     -1.50157947      0.13868414     -2.18474345
  H     -0.55620982      4.17573715     -0.41357039
  O      1.94243559      2.25360454     -0.58490666
  H     -4.16189766     -0.73659950     -3.35245936
  H      0.59156252      3.28624873      0.13129002
  O      0.53092888      2.62835256     -2.88235604
  H     -4.26933241     -1.03224000     -4.86599046
  H     -2.10550435     -0.84360661      2.88961567
  O     -2.05135686     -2.58049898      2.29744676
  H     -4.79382183     -0.31211423     -1.33084765
  H     -2.03684271      0.53707458      2.17269577
  O      0.09736476      1.52175754      3.82722194
  H     -4.33952009     -1.71058520     -0.86618398
  H     -3.67450399     -2.48316698      1.31792142
  O     -1.24740418      3.88638109      2.97110031
  H     -2.54113049      0.76519983     -3.96150817
  H     -5.04218542     -1.75907199      1.21757681
  O     -4.05980536      2.98829591      0.28175992
  H     -2.37541194      2.04937256     -3.12144176
  H     -1.69886846      0.75173498     -0.08243896
  O      1.38150007      0.32736695      1.48560738
  H     -4.16344548      3.08488639     -2.82538709
  H     -1.25498264      2.12307718      0.53761793
  O     -0.25683225      3.68709842      0.36304183
  H     -3.61135723      3.38471946     -1.41598568
  H     -2.98790322      3.95806940      2.97769787
  O     -2.10813194      0.10961710      3.04173759
  H      2.86565924      2.42106226     -0.75760549
  H     -4.26153622      4.72952636      3.39418015
  O     -4.46113213     -2.38563328      0.76809373
  H      1.49050124      2.28127134     -1.44677056
  H     -5.15267176      1.21859020     -3.77262716
  O     -1.88268545      1.39340467      0.61612287
  H      0.10468080      3.47947403     -2.72128823
  H     -5.83139890      1.66542696     -2.46297388
  O     -3.95992727      3.96471183      2.91172527
  H     -0.16169607      2.07343148     -3.26248154
  H     -3.77653579      0.80613570      3.39004444
  O     -5.51561364      1.98789386     -3.31788427
  H     -1.33894123     -2.36823321      1.66481434
  H     -4.49888383      2.16316092      3.28548035
  O     -4.65254060      1.21585628      3.37365267
  H     -1.80550729     -3.39599193      2.72513188
  H     -1.94193577      4.43742276     -2.25260978
  O     -1.08408467      4.86330264     -2.08288244
  H     -0.68268589      0.96403860      3.66292771
  H     -1.15691726      5.76134947     -2.39555052
          69
 Energy    -250.57547120093494     
  O     11.76613738      9.66030964    -14.24460011
  H     12.44236035      9.12236842    -14.67870580
  H     16.22725033     11.38672930    -14.80606112
  O     16.64753313      6.15411578    -12.66562086
  H     12.19112823     10.49871980    -14.03143297
  H     16.55449376      9.28282942    -13.69775950
  O     17.68338613     10.70306983    -13.85108280
  H     17.13309701      6.41308310    -11.87005625
  H     16.21531071      7.82791068    -13.21040430
  O     14.55127678      7.96841134     -8.49773818
  H     15.76044326      5.91330786    -12.36477581
  H      9.76510220      7.82662012    -12.57594525
  O     14.21256868      5.71186818    -11.41690612
  H     18.42550282     10.47891924    -14.42826403
  H     11.01581553      8.53023660    -13.15719467
  O     14.36979849     10.11428408    -11.74831272
  H     18.02855802     10.82997544    -12.95857428
  H     17.15765139      7.88916030    -10.11703677
  O     17.71660256      8.30703978    -16.75074808
  H     15.20322495      8.61928434     -8.78597817
  H     17.03601104      6.40560938     -9.69086459
  O     15.56314880      5.48769552     -8.90427958
  H     13.82161755      8.02685431     -9.13042491
  H     11.85298216      6.46136127    -13.36925148
  O     19.63294412      9.82536162    -15.64433330
  H     13.74250957      6.53267795    -11.20626416
  H     13.12062939      5.66870051    -13.01153571
  O     17.87135458      5.97301450    -15.10902005
  H     14.61860674      5.42753472    -10.58929006
  H     19.27044184     11.45327193    -10.81684071
  O     19.98149508      7.56775869    -13.92325373
  H     14.86641489      9.58351005    -12.39138233
  H     19.15187845      9.96586720    -11.23493450
  O     15.40196861     11.56345123    -15.27742068
  H     13.97588288     10.84093113    -12.24369504
  H     19.92438281      8.04620434    -12.19022039
  O     15.83825808      8.65699074    -13.52781752
  H     17.64637751      7.48416122    -16.25040352
  H     19.19566087      7.77557965    -10.84549250
  O     10.71799483      7.81961197    -12.56020310
  H     16.82116526      8.62488887    -16.91507065
  H     17.18966060     10.09814542    -10.26689716
  O     17.57068388      7.01772588    -10.21034714
  H     15.52769361      4.92812727     -8.13349563
  H     15.69036389      9.85717503    -10.52686945
  O     12.58553898      5.96631283    -13.75751214
  H     15.17567710      6.34542309     -8.64920798
  H     14.52217909      8.21254108    -14.62787930
  O     18.67689748     10.81833173    -11.20853353
  H     20.22364222     10.20093362    -16.29077465
  H     13.38607672      7.17374594    -14.84103591
  O     19.79353642      8.38664097    -11.29254364
  H     18.96815198      9.30436517    -16.13337239
  H     13.29740004      8.82475693    -11.09332037
  O     16.42890375      9.58960798     -9.96095206
  H     17.40758632      5.94881831    -14.25578689
  H     12.01325769      7.96849429    -11.23418658
  O     13.79972958      7.96009564    -15.22353606
  H     17.94666218      5.06815078    -15.40278796
  H     14.05880804     11.86863875    -14.22333156
  O     12.83345397      8.05447825    -10.73332497
  H     19.36663563      6.95452487    -14.34043446
  H     13.08811134     12.88596904    -13.57771767
  O     13.32596128     11.96305071    -13.58796535
  H     20.00587709      8.34165446    -14.49922208
  H     14.55856857      8.81035208    -16.55308645
  O     15.10000006      9.36820897    -17.13828809
  H     15.33079895     10.89083140    -15.96463950
  H     14.64011432      9.41810087    -17.97266331
          69
 Energy    -250.57529532486006     
  O     14.98708874      8.03280362     -9.86081416
  H     15.94693145      7.95905465     -9.97692875
  H     11.78271770      4.51931072    -15.45397597
  O     15.84882708      5.30260455    -12.57005588
  H     14.62347417      7.15001790     -9.99105512
  H     17.05225232      5.84063680    -17.60985889
  O     17.25301478     12.18093449    -13.09766022
  H     15.24830238      5.30203843    -11.81324226
  H     16.35451007      6.80996841    -16.62913867
  O     18.07271544     11.21152814    -15.70899198
  H     16.75924659      5.28622757    -12.24914710
  H     16.24598579     11.16223060    -16.13225909
  O     11.94065737      8.99551058    -13.34009497
  H     17.56769420     12.04756775    -13.99932086
  H     15.01653790     11.24668480    -15.20553894
  O     17.69666984      7.90593859    -10.45601997
  H     16.28890796     12.19605087    -13.15900224
  H     15.88694185      7.02296831    -13.20653014
  O     12.07454135      6.30750476    -12.45212591
  H     18.86331538     11.39125751    -16.21109627
  H     15.40357614      8.49087045    -12.98464136
  O     14.49528677     11.77130904    -13.52279162
  H     18.23207627     10.38729019    -15.21800944
  H     18.73776821      5.81797150    -12.96536269
  O     12.49242968     10.70030869    -16.55679441
  H     12.17473456      8.64151807    -14.21102770
  H     19.27251389      5.04769889    -11.73543658
  O     14.90574107      4.64388338    -15.09120076
  H     11.70591822      9.91979529    -13.48368715
  H     13.19354380      5.78433226    -11.23469882
  O     15.35000522      8.21142896    -16.17839411
  H     18.01886134      8.72800199    -10.84360865
  H     13.45574843      4.89926737     -9.99275100
  O     12.27991910      5.25520549    -15.10753826
  H     18.06112572      7.18777030    -10.98522470
  H     18.68223454      9.42562670    -13.25639454
  O     16.88223440      5.99510330    -16.68363486
  H     11.88830148      7.23963152    -12.61904390
  H     17.53373095      8.62542548    -13.90727168
  O     15.29771717     10.98704153    -16.09582240
  H     12.09610157      5.88367929    -13.31884779
  H     18.26910409      6.12015967    -15.34069017
  O     15.92799965      7.91904927    -13.56113674
  H     14.51219674     11.01376598    -12.91559143
  H     18.90421097      7.27807828    -14.54586128
  O     18.56852470      5.62096941    -12.02710645
  H     13.56285753     11.96557157    -13.66934156
  H     18.12256728     11.03675744    -12.06611278
  O     13.87996952      5.49129609    -10.60785159
  H     13.44237449     10.86807368    -16.60998427
  H     19.32239596     10.81423701    -11.12083122
  O     18.40589009      9.01230881    -14.08476074
  H     12.39407883      9.74216331    -16.47719237
  H     12.37068517      7.01496119    -15.70818293
  O     18.90249286      6.31531428    -14.64027296
  H     15.24809510      4.76636605    -14.19385411
  H     13.54579518      7.96389539    -16.03371074
  O     18.68258100     10.35327036    -11.65758263
  H     15.58613126      4.98061867    -15.68373844
  H     11.91011450     11.42780659    -15.06805550
  O     12.59370178      7.94138443    -15.86222721
  H     15.50899411      8.05396619    -15.23240412
  H     10.99966190     12.35894173    -14.23102724
  O     11.70983826     11.72674947    -14.16253623
  H     15.36131782      9.17054272    -16.29043244
  H     14.49103958      9.07644733    -11.16687831
  O     14.32995296      9.52127832    -12.01262864
  H     13.21962334      4.99758582    -15.13156509
  H     13.45994324      9.26486558    -12.34710404
          69
 Energy    -250.57517469682716     
  O     14.90569474     12.04561255    -12.27325303
  H     14.30898862     12.29151969    -11.55611976
  H     14.04747985      7.09309056    -14.27176386
  O     17.12750263      9.94397164     -7.15265904
  H     15.70250906     11.70633263    -11.84782410
  H     11.25462152     10.68392001    -11.51405910
  O     16.59271490      6.29614373    -10.81915994
  H     16.96203239      9.02142358     -6.92345928
  H     10.81062805     10.22499935    -10.11225477
  O     13.10414858      5.06547468    -10.28037137
  H     16.31350845     10.28753611     -7.54524084
  H     15.67108142      8.55390909    -14.06914612
  O     18.59879991      7.11645491     -8.99698804
  H     16.18735460      5.64003387    -11.39909079
  H     14.62108403      9.37344202    -14.83801166
  O     16.98980179      7.08848139     -6.81323414
  H     16.00718996      6.36513659    -10.05106930
  H     19.84465378     10.38737699     -8.80256869
  O     16.88439926     10.76385387    -10.69017053
  H     13.68500233      5.40479871     -9.58701442
  H     18.41924853     10.00701714     -8.32927782
  O     13.21652382     12.58835309    -10.01490210
  H     13.68890972      4.77584382    -10.99045481
  H     14.33650071      7.18488101     -8.62249082
  O     14.91241743     10.77722542     -8.69260956
  H     18.82962617      8.03467638     -9.18320407
  H     15.54255576      6.56617101     -7.86244870
  O     13.76457804      8.29864821    -11.69289989
  H     18.06935411      6.79752395     -9.73973949
  H     12.54772547      9.37546561    -12.50933916
  O     10.68448154      6.21346424    -10.69311738
  H     17.37990163      6.62109761     -6.07927217
  H     12.38737922     10.35125422    -13.68436367
  O     13.57388015      6.39245016    -13.79642456
  H     17.63029920      7.04532712     -7.54724433
  H     11.10857918      8.16826332    -13.37358677
  O     11.10661312     10.99485483    -10.60902844
  H     17.72523211     10.58403049    -10.25239024
  H     10.80812096      6.92660007    -12.50410147
  O     15.02703579      8.50014885    -14.78964785
  H     16.20978959     10.74670186     -9.99574333
  H     10.50774856      7.73569575     -9.73487202
  O     19.03841975      9.96143162     -9.08134733
  H     12.89162845     13.46001048     -9.80519313
  H      9.78909952      8.43576661     -8.55987138
  O     14.90545832      6.40250540     -8.56797725
  H     12.43599142     12.03484735    -10.19640739
  H     14.48944833      5.18488272    -12.97352091
  O     11.88431372      9.86508491    -13.02010228
  H     14.35061947      9.99017233     -8.73599387
  H     15.16642268      3.79495294    -12.90459155
  O     10.98171414      7.21023024    -13.40905199
  H     14.37172890     11.50371019     -9.02701560
  H     13.90373126     11.80406978    -15.25994454
  O     10.49139465      8.54392406     -9.19684658
  H     13.57877653      7.54297578    -12.26359051
  H     14.25789757     11.47906014    -13.79013682
  O     14.97710121      4.57507776    -12.39031126
  H     14.67211364      8.55670363    -11.90313214
  H     12.34388721      8.60542129     -8.91403546
  O     13.83831352     11.12421678    -14.59480370
  H     10.05806391      5.49402452    -10.72956050
  H     13.44830773      8.47200960     -9.99286837
  O     13.29816480      8.57107080     -9.03740701
  H     11.55739210      5.80825786    -10.54200586
  H     16.60486410      7.80976574    -11.84719888
  O     16.44015624      8.61140962    -12.36309033
  H     12.62546911      6.57921281    -13.83428626
  H     16.69271660      9.36920393    -11.81918424
          69
 Energy    -250.57471585371599     
  O     14.48456493     10.42557015    -11.85715921
  H     14.72261259     10.30869616    -12.78605905
  H     17.43258127      5.62531122    -11.89944332
  O     18.97429150      7.08228841    -14.25152773
  H     13.67887550      9.90554034    -11.72793980
  H     14.77298295      4.44481016    -14.43810008
  O     12.77385795      3.84269883    -12.01788521
  H     19.85991676      7.31491225    -14.51679776
  H     14.17228304      5.72671088    -13.80642880
  O     14.30060247      1.54670460    -11.54172029
  H     18.60001457      7.86230635    -13.80333371
  H     13.84187460      7.59895130    -12.42092750
  O     16.83262280      6.26476924    -15.98430262
  H     11.90018912      4.24326274    -11.95323977
  H     15.24232573      6.94442782    -12.20842615
  O     17.79136095      9.18181848    -13.04953895
  H     13.15889196      4.15026227    -12.85269715
  H     15.77440308      9.75543313    -10.88122096
  O     10.40716558      5.37349772    -11.83622081
  H     13.65819985      2.24601636    -11.72421476
  H     16.78700293      9.89734151     -9.72247486
  O     15.81797588      2.63160616     -9.34296545
  H     14.72880284      1.79505359    -10.71360244
  H     15.54826485      7.33651850    -16.51123265
  O     15.32939631      9.35914271    -14.35791651
  H     16.69193117      5.36143533    -15.67587821
  H     14.98066829      8.14020483    -17.70074369
  O     16.29015896      1.27371246    -13.37263423
  H     17.58330134      6.59569769    -15.47645458
  H     13.19316534      7.28223551    -16.06416226
  O     17.73065873      2.62005841    -11.27016638
  H     17.00404438      9.36048709    -13.58367463
  H     12.90242495      5.99060484    -15.29149925
  O     17.94803089      5.10941471    -12.53707590
  H     17.50966670      9.24993651    -12.13141731
  H     16.96451860      4.27236037    -13.83365295
  O     13.93936068      4.89441748    -14.25122954
  H     10.47631821      6.06634150    -12.51136743
  H     16.42113717      2.89939089    -14.28722505
  O     14.57302291      7.15500758    -12.87145768
  H      9.49209718      5.10282778    -11.81350417
  H     10.02403477      7.98439570    -14.09480882
  O     16.51998656      9.31888724    -10.43188074
  H     16.14460172      2.20314382     -8.55651961
  H     11.33986580      7.24015423    -14.41288441
  O     14.85297781      7.96780205    -16.77159180
  H     16.55692530      2.65338348     -9.97767923
  H     15.63756399      6.07660820    -10.37466673
  O     12.48334136      6.79501752    -15.63035155
  H     15.09268130      8.56212008    -13.85645276
  H     16.38941429      7.46555802    -10.51577666
  O     16.46998713      3.82946800    -14.53941886
  H     15.17468351      9.12053888    -15.27779748
  H     11.79392903      8.28754798    -12.36772981
  O     10.71289608      7.45637821    -13.69902732
  H     16.33898932      0.37216599    -13.67852609
  H     12.28390508      7.96125676    -10.92326843
  O     16.34527679      6.55363935    -10.83126388
  H     15.52923818      1.32334511    -12.76645227
  H     12.79833541      6.06696635     -9.63554782
  O     12.44435627      8.52365949    -11.69655772
  H     17.95567707      3.47470235    -11.66230482
  H     11.40720014      6.11872895    -10.30444234
  O     12.02322839      6.62911247     -9.76515250
  H     17.38826334      2.08131110    -11.99364051
  H     14.79879363      4.16942818     -9.57255075
  O     14.29580638      4.91939149     -9.91550090
  H     18.42348217      5.74155720    -13.08962187
  H     13.80017494      4.57962974    -10.67517108
          69
 Energy    -250.57432712149139     
  O     16.19806766      9.78647593    -16.83697132
  H     15.27263167      9.94183634    -16.61954794
  H     18.63643202      5.59396711    -11.00656003
  O     15.86598693      5.00798352    -13.01961985
  H     16.67737813     10.62397610    -16.72429334
  H     19.59408580      9.61040739    -17.17112669
  O     17.14263142     13.99746177    -11.45192261
  H     16.01241961      5.20939575    -13.95486655
  H     20.85897638     10.49744684    -17.28153445
  O     19.79951313      8.89523148    -14.31055133
  H     16.64562992      5.32211431    -12.54716777
  H     17.95505827      8.56784958    -14.46379371
  O     16.59939099     10.65462418     -9.01183551
  H     17.35691260     14.91825976    -11.33212569
  H     16.72452302      8.97618121    -15.32685932
  O     15.27795460      8.52196074    -12.43861184
  H     17.77323140     13.48592137    -10.91389859
  H     12.78133848     10.21337518    -16.27393989
  O     17.16128294     12.10593144    -13.54688317
  H     20.01434733      9.42665945    -15.08742381
  H     13.54904973      9.03358476    -15.63387957
  O     19.55945887      6.15775586    -14.26303941
  H     19.68800381      9.49039390    -13.55660293
  H     16.59249980      8.55674525    -11.29260178
  O     13.54904710      6.33256135    -12.66706756
  H     15.99918862     11.14043317     -9.60596886
  H     17.19564897      9.19376916    -10.02266428
  O     18.66671036      5.71358157    -16.79607338
  H     16.20345079     10.67929374     -8.14469034
  H     14.41931474      6.82070043    -15.63471917
  O     16.15788349      6.05179242    -15.60757908
  H     15.85528369      8.44586786    -13.21692548
  H     13.42882649      6.97163705    -14.47338538
  O     18.18734052      6.07836006    -11.69678188
  H     14.63434156      7.80461993    -12.46615079
  H     18.10675876     11.75500645     -9.54104876
  O     20.12674370     10.28466562    -16.70958864
  H     17.16485649     12.86457796    -12.94998531
  H     19.03734850     11.68588395    -10.75953857
  O     16.99990030      8.46894329    -14.54975042
  H     16.26694718     11.73725335    -13.52621825
  H     18.45353774      9.77483806    -11.72042391
  O     13.57090222      9.99605889    -15.78489190
  H     19.10601174      6.03601411    -13.42246154
  H     18.32438919     10.98016792    -12.70237917
  O     17.39504252      8.58765354    -10.74671158
  H     19.81393862      7.09281267    -14.28030173
  H     15.65823489     12.88820766    -10.94882637
  O     13.63740718      7.31259426    -15.35127337
  H     14.33505381      5.75976764    -12.74093432
  H     14.74656673     11.81999932    -11.57814402
  O     18.73032293     12.27846603    -10.05971036
  H     12.91002345      5.86251837    -12.13956733
  H     17.60602260      8.75695161    -17.61200964
  O     18.95846202     10.44456214    -12.20164868
  H     19.17557729      5.02339688    -17.21257162
  H     18.51189247      7.49627968    -17.50309502
  O     15.08760299     12.13926615    -10.73368897
  H     19.01920991      5.81615705    -15.89329829
  H     14.77041121     10.15209841    -12.92191183
  O     18.49361728      8.41710226    -17.78844252
  H     16.88651910      5.75851094    -16.16591439
  H     14.16602914     10.83206656    -14.16153726
  O     14.58792290     11.01957862    -13.31536545
  H     16.47401595      6.87398880    -15.20112668
  H     18.66653444     11.50988539    -16.37815801
  O     17.79760370     11.91680398    -16.27671889
  H     17.97297324      6.94653259    -11.32133328
  H     17.66489475     12.06746520    -15.33075104
          69
 Energy    -250.57427182045831     
  O     18.20901280      7.05997119     -9.66352035
  H     17.83869604      6.22610165     -9.98482867
  H     15.63930666      9.34226685    -15.10328614
  O     15.36194607     10.88585552    -14.09003631
  H     17.62358173      7.36198430     -8.95972739
  H     14.90641661      4.67457962    -13.44604997
  O     13.62482033      3.58192308    -16.02066949
  H     15.43593749     11.79294455    -14.37409497
  H     13.72101120      4.21268947    -14.33089892
  O     13.02157656      9.63203951    -13.02291946
  H     15.96568985     10.77931921    -13.33253353
  H     15.43517748      7.98065971    -10.96877635
  O     15.36708687      9.50297794     -9.90147434
  H     14.57206026      3.59558829    -16.20788376
  H     15.78395656      6.45683936    -11.11948653
  O     16.95583662     10.52392892    -11.93754799
  H     13.25185925      4.34590011    -16.47885463
  H     20.02146963      8.73005666    -11.63916299
  O     12.80169553      4.20534328    -11.05072608
  H     13.76703111     10.12219086    -13.39010450
  H     18.80788330      8.07558851    -10.93757558
  O     16.46799289      4.03779451    -16.32775720
  H     12.99883929      8.78834438    -13.49227645
  H     12.50939710      7.84285510    -10.27881545
  O     16.23199918      7.92042433     -7.76067784
  H     14.41084273      9.64054734     -9.90901110
  H     13.59306929      6.94876521    -10.90269282
  O     12.75072999      6.14140530    -17.00765092
  H     15.61653445      9.07781858     -9.07095019
  H     13.73404101      6.35003900     -8.84532004
  O     15.58139297      6.40554382    -17.32470455
  H     16.41838980     10.28619073    -11.16871857
  H     14.55532153      5.10654390     -8.45798258
  O     15.77522117      8.43576277    -15.40447919
  H     17.74579240      9.97422612    -11.88573733
  H     13.55156095      6.42949689    -14.07495217
  O     13.94495276      4.70255788    -13.52615283
  H     13.13061665      4.29568518    -11.95691273
  H     14.21121378      7.62762170    -14.82875151
  O     15.31527458      7.19964404    -11.52642039
  H     12.54449846      5.09642659    -10.78130112
  H     11.90070575     10.36923107    -10.17441254
  O     19.07841873      8.60952389    -11.70668776
  H     16.22207829      4.89982004    -16.70923038
  H     12.70381059      9.73694077    -11.33874457
  O     12.79073031      6.92507740    -10.35859126
  H     17.03454807      3.60907029    -16.96397594
  H     14.69728521      2.57398357     -9.09240989
  O     14.38122400      6.02088546     -8.20705088
  H     16.35888222      8.04960821     -6.82483999
  H     14.05022671      3.64605196    -10.00412624
  O     13.36422309      7.25468728    -14.54417594
  H     15.57444187      7.20776786     -7.86099676
  H     18.03202244      7.73100381    -12.96962509
  O     12.59136880      9.74237967    -10.36911978
  H     12.83567319      6.57844840    -16.14377184
  H     16.53947849      7.35482929    -12.82489104
  O     14.80582716      3.46401203     -9.41478080
  H     11.93927001      6.45767635    -17.39600009
  H     16.17321184      4.32449498    -10.30500854
  O     17.29632044      7.31314323    -13.43198674
  H     14.62241161      6.33279809    -17.40701200
  H     16.85706825      4.61259531    -11.68126513
  O     16.78273897      4.91497990    -10.76648820
  H     15.73608309      7.19095529    -16.78250262
  H     16.75076614      4.29046541    -14.48800817
  O     16.77534351      4.59954303    -13.57348812
  H     16.41879788      8.04512840    -14.79427406
  H     17.07441826      5.52064998    -13.60740710
          69
 Ord_Energy   -250.574265    
 O    5.22234726      -1.50906897       8.71725464    
 H    5.27727413     -0.559036076       8.90016079    
 H    4.50871372      -1.84931326       9.27172756    
 O    3.32421589       4.52509403       7.38751030    
 H    4.29810190       4.52183485       7.42218685    
 H    3.04740000       5.42415810       7.54253054    
 O    2.89687586      -2.19761682       10.1712523    
 H    2.76799321      -2.57182407       11.0389624    
 H    2.35745430      -1.38724160       10.1338329    
 O    7.43779421      -1.10111856       7.01309061    
 H    6.78181982      -1.42213953       7.64587927    
 H    7.50671005      -1.74858427       6.29950953    
 O    1.50612986      -3.00131822       7.76176214    
 H    1.91587019      -2.87341762       8.62677860    
 H   0.840293169      -2.30689621       7.67729902    
 O    6.02563763       4.44165421       7.39405966    
 H    6.34649944       4.16336966       6.52453566    
 H    6.59142923       3.99909496       8.03663921    
 O    5.19309711      0.396727681       3.42689514    
 H    5.23076200      0.504116178       4.38991356    
 H    4.99562740       1.27335703       3.07997251    
 O    2.92094111       3.01997852       4.98748541    
 H    2.61936283       2.16496778       5.32011366    
 H    3.01821661       3.58846569       5.76087761    
 O    5.72592831      0.951199472       6.11412191    
 H    6.16206408       1.75941908       5.81097889    
 H    6.40528536      0.288234681       6.30377579    
 O    2.15311670      0.655865431       6.36764717    
 H    2.72419786     -0.122507617       6.30278349    
 H    2.38862491       1.12386513       7.18187618    
 O    7.49750376      -2.74581313       4.74769545    
 H    6.56033278      -2.68139958       4.48509312    
 H    7.78272724      -3.63107848       4.54079580    
 O    4.92693853      -2.32116866       4.07367468    
 H    4.89809656      -1.46155453       3.63435578    
 H    4.38804150      -2.22017026       4.87174416    
 O    9.20421886       1.90899372       4.52514505    
 H    10.0140171       2.08465815       4.05402994    
 H    8.80826283       1.11542630       4.12043047    
 O    7.94769001     -0.224716574       3.47572613    
 H    7.02042389      -2.30664993E-03   3.31670642    
 H    7.94451571      -1.11734891       3.83972430    
 O    7.66427040       2.82203031       9.10148430    
 H    8.26411724       3.06389332       9.80156898    
 H    8.17393208       2.28413415       8.46845722    
 O    6.81779575       3.29566360       4.99171638    
 H    7.67316437       2.93388700       4.72673130    
 H    6.23146057       3.30998898       4.22399855    
 O    2.77101302       2.10481906       8.70574665    
 H    3.68005490       1.82006156       8.88377094    
 H    2.83777475       2.99623418       8.34261990    
 O   -6.42730594E-02 -0.608630896       7.44871664    
 H   0.631420732     -0.135549292       6.96218538    
 H  -0.887707114     -0.411516517       7.01006889    
 O    5.36394453       1.25199544       8.82467461    
 H    6.12595272       1.77545393       9.09849548    
 H    5.39682150       1.21732247       7.85471106    
 O    3.57389593      -1.76585400       6.42801094    
 H    4.21001720      -1.66844010       7.14736652    
 H    2.84862566      -2.30701733       6.77277565    
 O    8.94249821       1.24390173       7.31062984    
 H    9.12728882       1.49236846       6.39773226    
 H    8.55246449      0.359336078       7.27702236    
 O    4.77602339       3.16373610       3.04380059    
 H    4.06814003       3.14008474       3.71550536    
 H    4.45809650       3.70370221       2.32600665    
 O    1.33088052       3.08017991E-03   9.86993599    
 H    1.77481496      0.819569111       9.60338116    
 H   0.704857469     -0.193938136       9.16212845    
          69
 Energy    -250.57301258709140     
  O      1.16486405      2.55836509      2.18951332
  H      0.29880115      2.42273766      2.59851823
  H      1.18710078     -3.99461361      2.10543861
  O      0.60430968      3.18039066     -0.38035497
  H      1.73635762      1.83745338      2.47662787
  H     -0.24829759     -4.12654875      3.97872580
  O     -0.93367535     -1.17964144      4.66955568
  H      0.87002246      2.99197115      0.53828722
  H     -1.09149321     -3.01638007      4.63620809
  O      0.92631301     -3.93251910     -2.32534237
  H      0.95867585      4.03772319     -0.59948658
  H     -3.91242376      0.82302243      5.19868554
  O     -2.32855032     -1.54319863     -3.69339304
  H     -1.65010158     -0.59507307      4.93615597
  H     -3.62446625     -0.16909956      4.04933267
  O      0.52578441     -1.46163538     -3.35963496
  H     -0.88862065     -1.08261957      3.70471714
  H     -2.89591936     -0.65336090     -0.29418017
  O     -1.50508031      2.00523816      2.85624771
  H      1.52160321     -4.42137055     -2.88711852
  H     -2.85928429     -2.09669585      0.30630948
  O     -3.32222576     -4.22773756      2.89224510
  H      0.86030788     -3.03560891     -2.70154154
  H     -2.15906737     -3.94777388     -1.45216909
  O     -2.17083603      0.33771114     -1.60495019
  H     -2.28274935     -2.40441462     -3.24073486
  H     -1.00052331     -4.06551388     -2.45079128
  O      0.62604249      0.59209995     -1.45795674
  H     -2.88708564     -1.66295069     -4.45659685
  H     -1.05011470      0.38228664      2.24095196
  O     -4.19896726     -1.45825199      3.01655934
  H     -0.40175575     -1.42251854     -3.62303715
  H     -1.70784137     -0.80254347      1.48242574
  O      1.40506202     -4.15111930      3.03858630
  H      0.67245438     -0.69094321     -2.79467271
  H      1.03661101     -2.59128455      0.51499635
  O     -1.10559923     -3.95032772      4.38347438
  H     -1.91119448      2.25369292      2.00970783
  H      0.85063934     -3.76076915     -0.48302822
  O     -3.23171455      0.53526953      4.59641419
  H     -2.18326849      1.66105297      3.44909924
  H      0.93064768     -1.39139876      4.64036983
  O     -3.16074731     -1.19082405      0.46384565
  H     -2.53935126     -4.18495783      3.47072657
  H      1.76569462     -2.47008186      3.92334199
  O     -1.95018904     -3.90383622     -2.39490449
  H     -3.84622816     -4.96667831      3.18994993
  H      0.58992988     -0.74478290      1.19269488
  O     -0.92298078     -0.54104416      1.97957954
  H     -2.33818762     -0.21363992     -2.37947025
  H      2.10670285     -0.48086262      1.32997692
  O      0.72950975     -3.50788940      0.44100515
  H     -1.20859370      0.41633434     -1.53500265
  H      3.80983282      0.51030403      3.06880538
  O      1.82226494     -1.59683779      4.32890244
  H      0.69082963      1.52089832     -1.20275234
  H      2.55113715     -0.32044699      3.41151686
  O      1.44582987     -0.87239840      0.74779236
  H      0.98085582      0.07720790     -0.71924219
  H     -2.51514126     -4.01127466      1.23411406
  O      2.90731754      0.35333490      2.80476860
  H     -4.01657736     -1.24901408      2.08916690
  H     -1.15622279     -3.68168403      0.52898292
  O     -2.11035733     -3.75614012      0.39508258
  H     -3.99499086     -2.39619540      3.09962542
  H     -2.36271251      1.87170474     -0.40953751
  O     -2.14548024      2.55264535      0.23783018
  H      2.01357843     -4.88612467      3.05724058
  H     -1.28060685      2.88898689     -0.02992051
          69
 Ord_Energy   -250.572998    
 O   -4.57880163      -1.80122387       3.71663785    
 H   -5.19761992      -1.11859727       4.00618029    
 H   -3.72733951      -1.34845603       3.64877987    
 O   -6.34245777       1.76300514       8.65886784    
 H   -5.71611404       1.60300958       9.37537193    
 H   -6.01034260       2.53037381       8.17556190    
 O   -1.39717114      -1.37429714       8.29759693    
 H   -1.36726594      -2.21980238       7.82230949    
 H   -1.97262859     -0.818248332       7.75897884    
 O   -3.65886426       6.18795776       6.72802353    
 H   -2.75406384       5.88202095       6.53485966    
 H   -3.57675004       7.02997684       7.16735935    
 O   -4.24678993       1.27147520       10.5537663    
 H   -4.18608427       1.47177351       11.4835682    
 H   -4.01861572      0.329512924       10.4519367    
 O   -1.71660817       5.08330297       3.15877867    
 H   -2.63674641       5.33897829       3.35116124    
 H   -1.44774270       5.57331371       2.38690853    
 O   -4.26481819       5.59668589       3.96944666    
 H   -4.64657974       4.71204948       4.05188370    
 H   -4.18054581       5.92952585       4.87157106    
 O   -1.21093750       5.26888275       5.99015236    
 H  -0.927258313       4.38130522       6.24641180    
 H   -1.21283567       5.27856398       5.02525282    
 O   -2.25364089     -0.294979185       4.18076086    
 H   -2.15276456      0.632500052       3.92817855    
 H   -2.59997368     -0.282091618       5.08588552    
 O   -7.62571916E-02  -1.88614392       4.59979439    
 H   0.410886168      -2.08692741       3.80467248    
 H  -0.824565351      -1.32347178       4.33705997    
 O  -0.830096006       2.52337408       6.51623583    
 H  -0.274417520       1.73182619       6.56038141    
 H   -1.49658418       2.43821287       7.21182680    
 O   -3.58868933      -1.28779960       10.0515594    
 H   -2.71454740      -1.39377475       9.65293503    
 H   -4.20829010      -1.66637146       9.41378975    
 O   -1.53570187      -3.45609927       6.51768684    
 H   -2.43735600      -3.56059980       6.19364500    
 H   -1.02288437      -3.05540252       5.80391121    
 O   -3.45904422      -5.16002588E-02   6.68592596    
 H   -4.00039387     -0.697563589       7.16308165    
 H   -3.35346127      0.739782155       7.23230982    
 O   -5.80876255      0.344145775       5.09406137    
 H   -6.50699663      0.140447393       5.72832823    
 H   -4.98121023      0.262620956       5.58939219    
 O   -4.33738327      -3.64224982       5.70253706    
 H   -4.63294840      -4.50211620       5.41359615    
 H   -4.43932629      -3.04050255       4.94458961    
 O   -2.09810996       2.44619727       4.05135584    
 H   -1.64037752       2.46511459       4.90616703    
 H   -1.88603723       3.27393079       3.60390592    
 O   -2.98558283       2.18624330       8.23276615    
 H   -3.64679694       2.80340028       7.88607788    
 H   -3.27833891       1.92829275       9.11543274    
 O   -7.39178228     -0.328821033       7.32187557    
 H   -8.32520390     -0.401994199       7.49994898    
 H   -7.06473970      0.434627593       7.83369017    
 O   -4.83016062       2.88477659       4.53159428    
 H   -3.90125132       2.68181205       4.34937239    
 H   -5.30721045       2.04594326       4.55507183    
 O   -4.97706795       3.76174355       7.16281700    
 H   -4.99334335       3.44982338       6.24622536    
 H   -4.61998224       4.65866280       7.13605976    
 O   0.435853332       7.76563436E-02   6.68893719    
 H    2.38279104E-02 -0.401738465       7.41906261    
 H   0.444666445     -0.550580978       5.95830011    
 O   -5.13381243      -1.96045589       7.80678511    
 H   -5.99270201      -1.55387318       7.63493299    
 H   -4.96075583      -2.62722015       7.12850380    
          69
 Energy    -250.57277695335330     
  O     12.67645444     12.65952515    -10.68454826
  H     12.18674468     11.83093291    -10.76805814
  H     14.37369361     14.54367577    -16.70470326
  O     15.14526869     13.15503755    -17.39253200
  H     13.33208340     12.52910024     -9.98663413
  H     11.94919430     14.59070292    -13.76155551
  O     15.12159599      8.70263602    -12.48928832
  H     14.71505702     12.29253868    -17.32831169
  H     12.52999316     14.68960866    -15.19647318
  O     14.84155847     15.68039740    -11.37257833
  H     16.08156060     12.99612368    -17.22301986
  H     17.80503538     13.15856261    -11.22310650
  O     14.20276642     10.60241437    -16.69611343
  H     15.40895147      8.13787537    -13.21567155
  H     19.29944823     12.76035633    -11.26777939
  O     15.97603301      7.61695734    -14.97937273
  H     15.70259629      9.47867387    -12.51506863
  H     10.64394579      9.73570818    -10.67915152
  O     14.41321083     12.51656579    -12.93352365
  H     15.18567375     15.60224389    -12.27370707
  H     11.74327318      9.75662096    -11.76631863
  O     12.46666798      9.25985647    -13.28685387
  H     13.88595287     15.61164163    -11.47099100
  H     18.60256603     12.67230482    -17.25693694
  O     16.73922824     10.22828522    -15.49092681
  H     13.77951317      9.73685493    -16.60464337
  H     17.98253378     12.99376590    -15.87468741
  O     18.08307039     13.85517030    -14.39600120
  H     15.07050329     10.50917206    -16.27916049
  H     14.14202381      7.78991949    -15.60156014
  O     12.53376088     11.59217149    -14.71373065
  H     16.60393574      6.96585461    -15.28246392
  H     12.81976400      8.33086636    -15.03507203
  O     13.97974185     15.30639664    -16.24347540
  H     16.32494481      8.48519704    -15.24279461
  H     13.20586756      9.56522888    -10.14530035
  O     11.87786724     14.22921811    -14.65301418
  H     13.91565867     12.61373520    -12.11417321
  H     14.54402816      9.07651590    -10.72801821
  O     18.49867387     12.76330443    -11.78412845
  H     13.78743453     12.19662031    -13.59797799
  H     14.62415620     11.01481597     -9.25944691
  O     11.50053501     10.09863509    -10.88820030
  H     12.43337710     10.08579631    -13.79605935
  H     14.77905214     11.86053445     -7.97402018
  O     17.85313937     12.48697719    -16.69789700
  H     13.38788389      9.10154622    -13.03550354
  H     17.36791257     11.46198437    -12.44592285
  O     13.27403589      8.12445928    -15.86034013
  H     16.75209890     10.51102104    -14.56436534
  H     15.86771236     11.55425485    -12.83607718
  O     14.14523806      9.47406752     -9.94356576
  H     17.21056709     10.90777457    -15.98903455
  H     12.17847252     14.22151805    -11.40811939
  O     14.72618902     11.92331277     -8.92443691
  H     18.34206454     13.52050513    -13.53033254
  H     11.30597444     15.49446724    -11.45235579
  O     16.63735248     10.96293796    -12.82777988
  H     17.24284111     14.31620904    -14.25804276
  H     15.92632446     14.45010438    -10.57688229
  O     12.04482210     15.06279578    -11.87571124
  H     12.18130244     12.49131891    -14.79159580
  H     15.93432904     13.11295471     -9.78875234
  O     16.49395665     13.72462015    -10.27901273
  H     13.04166572     11.37211374    -15.50610156
  H     15.03233081     15.13039329    -14.72845398
  O     15.54287952     14.87267626    -13.95168191
  H     13.93033161     16.01590843    -16.87825277
  H     15.13660376     14.06431426    -13.60427071
          69
 Energy    -250.57241903942236     
  O      9.27302155     11.53203699    -10.91830809
  H      9.73276532     11.26882110    -11.73413148
  H     13.72683722     11.86478071    -13.40200977
  O     13.73926778      8.83553612    -16.53070224
  H      8.33772245     11.47062660    -11.09456141
  H     17.03379018     10.50763177    -10.50781955
  O     11.57388339      7.21797805    -10.42659863
  H     13.39057526      9.73930389    -16.43129863
  H     18.22388561     10.46586921    -11.49435265
  O     14.37295597      8.23115758    -13.86106746
  H     14.18992593      8.80504263    -17.37026884
  H     15.59484295      7.70134640    -12.48474340
  O     12.24498887     13.13275571     -7.45594828
  H     11.16505899      7.97310248     -9.98435367
  H     16.61470051      8.46363804    -11.60982781
  O     12.56339846     11.27413981    -16.16317671
  H     12.49253983      7.21646742    -10.12264267
  H     13.44558854     15.07076609    -11.42713665
  O     11.73900994      8.14261462    -13.00154802
  H     14.28023347      8.33746099    -14.81586968
  H     13.55252684     13.68800744    -10.74440669
  O     14.97909298      9.14895953     -7.32645952
  H     13.47622210      8.12806886    -13.50792050
  H     14.58953371      8.09467107     -8.84935809
  O     13.39250023     10.26269642    -10.63401776
  H     11.64246615     13.29569133     -8.20394107
  H     14.94909943      7.62502021    -10.30702599
  O     12.52746966     10.31109126     -7.16831772
  H     12.06620126     13.80751461     -6.80677168
  H     10.30106116     10.67925691    -14.02197368
  O     10.94141947      9.79435168     -9.42456062
  H     12.73415948     11.79513147    -15.36827514
  H     11.46618725     11.36679063    -13.25684121
  O     12.93366013     12.39459979    -13.57977426
  H     11.61890387     11.07560063    -16.14929083
  H     13.63031233     12.82422245     -8.66836368
  O     17.29627619     10.26173607    -11.41273053
  H     11.63572501      7.72171626    -12.13583005
  H     13.87482790     11.76565211     -9.78134378
  O     16.10686608      7.64527510    -11.66694434
  H     11.39527204      9.04087549    -12.92883031
  H     14.81544672      9.86555192    -13.30549044
  O     13.05870242     14.19837800    -11.40860180
  H     15.20322624      8.77680438     -6.47754824
  H     15.82919379     10.68067707    -12.45063067
  O     14.22290609      7.78210475     -9.68436880
  H     14.10132370      9.56023864     -7.22797316
  H      9.10454313     10.32096446    -16.33217020
  O     10.68227910     10.81063467    -13.14374558
  H     13.86846730     10.42589558    -11.45636684
  H     10.24541439      9.40784985    -15.81854826
  O     14.17579558     12.62344633     -9.43959530
  H     13.69276403      9.40116258    -10.30936346
  H     16.02694879     10.34480823     -8.35562861
  O     14.97812259     10.73191283    -12.90304540
  H     12.42166915     11.26811486     -7.11699310
  H     15.78087149     11.69353924     -9.05486318
  O      9.88230329     10.31206378    -15.78187917
  H     11.88818587     10.02309467     -7.83411469
  H     11.43468557     13.86378231    -10.38378682
  O     16.43238122     10.98836297     -8.95027977
  H     11.74779476     10.00659359     -9.92147324
  H     10.22548705     12.93733780    -10.11764457
  O     10.79809471     13.59856761     -9.70960117
  H     10.24584842     10.33896571     -9.80718734
  H     11.27427085      7.80485479    -14.76959435
  O     11.13044164      7.91651784    -15.72084633
  H     12.92999060     13.10383081    -12.92681143
  H     12.00531013      8.05901468    -16.10183989
          69
 Energy    -250.57204877474891     
  O     13.52025553     12.42096645    -13.69311458
  H     14.21398785     12.00637393    -13.16204705
  H     17.87375712      7.44338600    -15.81837673
  O     14.90411408      6.70204863    -13.22174433
  H     12.69047795     12.16110448    -13.27607771
  H     15.75849011     11.12268576    -16.33632149
  O     17.72858192      9.67112919    -11.69923740
  H     14.26482377      6.79545454    -12.50466841
  H     17.09787364     10.57891151    -15.68881206
  O     12.64097083      9.60453342    -16.30524975
  H     14.88079724      7.53870233    -13.71454376
  H     13.89493773      9.21982013    -14.96319909
  O     14.65371755      9.05881643     -8.61885618
  H     17.67009800      8.74980676    -11.99277114
  H     15.41769633      9.39837700    -15.12589631
  O     12.91489238      7.14185723    -11.27686268
  H     17.71312639      9.64929283    -10.73461375
  H     11.04852462     10.60860517    -13.02437641
  O     15.22856250     10.68066945    -12.33021347
  H     13.02584479      8.90552327    -16.85087885
  H     10.38676049     11.73988305    -12.19992338
  O     13.77688105      7.28794583    -17.46213267
  H     13.10084408     10.43364122    -16.49085065
  H     17.29415085      7.45230414     -9.47322875
  O     14.45963852      6.22733951     -9.14180152
  H     14.50222026      8.10669082     -8.65700429
  H     17.33529922      6.60214325    -10.75959734
  O     16.60514165      7.75416826    -17.00051015
  H     14.04412799      9.44719802     -9.25984492
  H     11.70609784      6.76794574    -12.53880681
  O     13.10145559      5.91189323    -15.22687157
  H     12.93281579      8.09978456    -11.13375824
  H     10.38287164      6.10373629    -12.97926931
  O     18.59158501      7.41863932    -15.16145588
  H     13.35696533      6.73463567    -10.52074848
  H     18.56333366      9.30865763    -14.67435702
  O     16.41143413     10.41470759    -16.35489052
  H     16.12078351     10.44249364    -12.05190106
  H     18.23326836     10.21035913    -13.47396536
  O     14.73748574      9.09444460    -14.51122252
  H     15.03024342     10.12452781    -13.09939775
  H     18.00481949      7.04605701    -13.42574161
  O     11.22114487     11.31234180    -12.37196870
  H     13.52273155      6.79882518    -18.24067226
  H     16.62094207      6.80810699    -12.78322466
  O     17.05368591      6.59054288     -9.83542029
  H     13.51428061      6.74782469    -16.69475705
  H     16.38487894      9.30328382     -8.79446495
  O     11.10876514      6.63697662    -13.29447750
  H     15.39372809      6.28099589     -9.41419445
  H     17.74080050      9.67395995     -8.14944445
  O     18.34375857     10.21740272    -14.43228081
  H     14.39864960      5.51220521     -8.51433609
  H     13.89208705     10.16594337    -11.28799141
  O     17.54749064      7.00623527    -12.57719838
  H     15.69155709      7.49999992    -17.16675760
  H     12.36666640     10.38214719    -11.20687814
  O     17.34839154      9.30329972     -8.93529109
  H     16.60078114      8.72339133    -16.97612695
  H     13.94525005     12.88155568    -16.78995749
  O     13.09145037      9.87418282    -10.82448840
  H     12.31364415      6.09309913    -14.70145349
  H     13.87302730     12.24103980    -15.38414555
  O     14.08440535     12.06434748    -16.31884800
  H     13.83393237      5.98210525    -14.59997538
  H     11.38317711      9.42976637    -14.98746718
  O     10.87290295      9.34245062    -14.17071597
  H     19.35003367      7.04675546    -15.60472468
  H     10.89748508      8.41117119    -13.92329519
          69
 Energy    -250.57178612820917     
  O     16.60474695      9.72712082    -11.88021382
  H     16.65534313     10.63416105    -11.55232974
  H     12.95557569      9.38144359     -9.92568519
  O     15.12692832      5.56237824     -7.28887431
  H     17.49599692      9.34903976    -11.87730874
  H     19.00037692      3.68442618    -13.42334107
  O     16.78281383     12.20300600    -10.61830566
  H     15.35864093      5.44828360     -8.22683728
  H     17.67353614      4.48109657    -13.40473930
  O     12.66527385      6.78255079     -8.28962693
  H     15.11976702      4.69056122     -6.90120228
  H     15.19277604      5.47340277    -10.72176218
  O     14.74321394      8.15863428    -13.19571831
  H     17.49831308     11.95980994    -10.00188908
  H     15.74522588      6.63001193     -9.86674770
  O     19.00768461      8.38538777    -11.68365379
  H     16.94220654     13.10306424    -10.88916900
  H     18.93905081      7.69758966    -13.44340657
  O     20.48484131      9.32766017     -9.45951478
  H     13.42670961      6.40944893     -7.83514799
  H     18.84184532      6.23541529    -13.91106432
  O     18.43851876      5.83363628    -10.65690634
  H     12.83360131      7.73210761     -8.38670016
  H     16.99371712     10.74190446     -5.74200909
  O     11.76272987      6.15110137    -10.77417129
  H     15.16324110      7.88925594    -14.02178194
  H     16.93687237      9.55788248     -6.73161402
  O     14.92079753     11.54318051     -8.49455560
  H     15.37002959      8.75371819    -12.75950329
  H     16.33391127      7.40854365    -16.28173154
  O     12.47888140      8.84441566    -11.59005312
  H     19.59746063      8.79741931    -11.04186492
  H     17.17455878      7.24897755    -14.99247394
  O     13.29133327      9.38781227     -9.01578501
  H     18.77496101      7.51766925    -11.32075020
  H     16.09725717      8.86207908    -10.38359137
  O     18.60440999      4.49531880    -13.11615726
  H     21.42720632      9.35164289     -9.31646315
  H     14.89326635      8.70000920     -9.40878498
  O     15.76074288      5.66347922     -9.96442694
  H     20.14732891      8.54344778     -8.98928142
  H     19.29238043     10.70200742     -9.02170180
  O     18.74274362      7.14741745    -14.21218047
  H     18.59472698      5.29597214    -11.44335415
  H     18.15671831     11.08889200     -8.03701440
  O     16.97241276     10.52615477     -6.67136468
  H     17.51449593      5.69147049    -10.40753863
  H     13.25170311      5.68464565    -11.76363592
  O     16.27361359      7.18437907    -15.35707529
  H     10.86943414      5.82340752    -10.71485190
  H     14.33410333      6.51381012    -12.50286642
  O     15.77285385      8.36124813     -9.62687720
  H     12.06032567      6.31905621     -9.86208278
  H     18.57281258      7.31539636     -7.83704196
  O     18.61902364     11.36785346     -8.83731253
  H     15.55668999     11.25215854     -7.83034952
  H     19.13467542      6.55540849     -9.06306630
  O     14.12033670      5.62455601    -12.18091590
  H     15.44654214     11.83495112     -9.24853600
  H     16.31257639      7.06433149     -6.97368997
  O     19.38262291      7.13580132     -8.33072041
  H     13.17576062      8.70928701    -12.24438514
  H     16.55268309      8.09646280     -8.08611863
  O     16.85806440      7.82474314     -7.20365915
  H     12.11734590      7.96810734    -11.40904729
  H     15.31616252      4.82843878    -13.36888011
  O     16.04522143      4.67774308    -13.98505161
  H     13.70815076     10.24143165     -8.83195244
  H     16.04697401      5.44184453    -14.57532446
          69
 Energy    -250.57096444828690     
  O     14.65264552     12.40901909     -9.94729467
  H     14.20792883     11.60524075    -10.24795581
  H     14.29395173     12.09149070    -13.25353232
  O     14.89262773     13.17246001    -16.50621509
  H     15.47350134     12.12719440     -9.52590428
  H     13.81404322     16.03027257    -15.77523527
  O     16.71554598      9.50019018    -11.14372791
  H     15.82709110     13.04850111    -16.71306055
  H     14.40303846     14.60451692    -15.65936994
  O     16.40488594     15.96837025    -10.82449083
  H     14.53034172     12.28661984    -16.38440492
  H     12.68752773     13.37320340    -13.16756990
  O     14.30625559     10.46214190    -15.84825038
  H     16.68301215      8.57895120    -11.42974482
  H     13.06420280     14.74014940    -13.75571762
  O     16.46730730      6.96872274    -12.31065388
  H     17.17514529      9.99050369    -11.84283040
  H     20.77970063     13.01831290    -12.28837378
  O     16.42911670      7.59197628    -14.94751246
  H     16.48685102     16.78432369    -10.33847957
  H     19.34702851     13.33312058    -11.79607738
  O     15.79275495     12.78679275    -12.56791021
  H     15.48248570     15.66896534    -10.71792661
  H     18.04371669     13.17896723    -16.19134502
  O     13.89231191     10.03440817    -11.24856073
  H     15.26488277     10.38035080    -15.73737599
  H     18.16695046     12.87455345    -17.70400712
  O     17.09564324     10.25395517    -15.56892171
  H     13.95252806      9.56675948    -15.78026816
  H     12.94328326      7.19272616    -15.68044692
  O     18.59766730     14.10636390    -14.84830555
  H     16.53044621      7.17297227    -13.26170783
  H     13.52299040      7.71481782    -14.34543963
  O     13.46763184     11.63239029    -13.47099696
  H     16.87222172      6.11471395    -12.18582803
  H     17.51546653     11.07434147     -8.41231687
  O     14.17957310     15.40689908    -15.15317212
  H     16.77259390      8.44137162    -15.25454634
  H     17.06888153     10.69609065     -9.84220452
  O     12.63131879     14.32246897    -13.00142029
  H     15.49912857      7.57326039    -15.20541183
  H     17.91448374     13.07610631    -10.01311144
  O     19.86227559     12.97989829    -12.54387460
  H     15.43605879     12.85156095    -11.67361449
  H     17.66233872     14.52090869    -10.53442718
  O     17.67157624     12.65061906    -16.92094012
  H     15.99696428     13.67492389    -12.88631853
  H     17.11523344     11.71130728    -12.91472138
  O     13.58662317      7.79339313    -15.31399627
  H     13.66387381     10.53883514    -12.04554549
  H     18.65981823     11.60177387    -12.91485822
  O     17.19046380     11.44189142     -9.23089325
  H     14.84609747      9.87278572    -11.26805764
  H     13.39609468     14.83720524    -11.43378923
  O     18.32056732     13.81817595    -10.47604744
  H     17.40280776     10.49730393    -14.68347417
  H     14.03084838     14.12437604    -10.21957093
  O     17.85261272     11.09229832    -13.04925108
  H     17.35734535     10.98034247    -16.14799240
  H     14.54903672      7.22794532    -12.40801741
  O     13.92439828     14.98981123    -10.63672849
  H     17.88912663     14.62106009    -14.43645628
  H     13.55175490      8.34513776    -12.06207378
  O     13.66110728      7.55202959    -12.60194864
  H     19.12609663     13.75876488    -14.12124831
  H     16.42051627     15.73011372    -12.67423527
  O     16.46314533     15.31917138    -13.54697905
  H     13.62527974     11.20366940    -14.32112129
  H     15.65215327     15.51055136    -14.03711700
          69
 Energy    -250.57050005211772     
  O     19.25353091     11.64539727    -18.59156974
  H     18.65934641     12.12663580    -19.17837885
  H     20.44985846     14.47532089    -18.53635436
  O     19.17071188     17.98994927    -15.19061158
  H     19.93895647     12.28480031    -18.35700200
  H     14.51857541     14.29269213    -13.82025178
  O     22.05660741     12.89343152    -13.81304340
  H     18.89179077     17.88666884    -16.10736653
  H     14.29314030     12.86907053    -13.27485304
  O     16.04999304     15.38231284    -13.75590003
  H     20.02973014     17.55316835    -15.10761699
  H     18.15550681     12.85622314    -13.11154370
  O     16.09478229     13.00396417    -17.41839473
  H     22.42451933     13.27948646    -14.61644510
  H     16.77895256     12.64146744    -12.42051416
  O     15.33988448     11.47418181    -12.46569487
  H     21.97643816     13.62723423    -13.19037954
  H     16.32930168     10.50823955    -15.42212433
  O     13.69062392     12.25426859    -16.24810398
  H     16.56428170     14.64992363    -13.38359244
  H     14.82782110     10.86451656    -15.46417672
  O     22.91517242     14.37080718    -16.19064828
  H     16.46394235     16.19693261    -13.44446178
  H     17.45058744     16.79947501    -17.34356786
  O     17.62339786     17.57213310    -13.00202699
  H     15.20838485     12.76569462    -17.11851140
  H     17.46828530     18.09705435    -18.18512871
  O     19.40068455     12.28611101    -14.27974511
  H     16.71474700     12.39414487    -16.99118130
  H     20.72219669     15.30504793    -11.96898287
  O     17.32221549     13.42752606    -19.85247415
  H     15.07631471     10.81878392    -11.82569915
  H     22.16778679     15.50696642    -11.45583798
  O     20.80112467     13.90456633    -17.83721063
  H     15.42988536     11.01429952    -13.32013815
  H     21.95678846     15.76031234    -15.33713598
  O     13.92487079     13.53246230    -13.87237143
  H     12.77290368     12.13189175    -16.47417322
  H     21.48140680     16.02346644    -13.89098427
  O     17.47241914     13.29249615    -12.58177908
  H     13.71119704     12.75881974    -15.41454414
  H     18.56843136     16.20421172    -12.05666869
  O     15.49376009     10.39646980    -14.94743894
  H     23.76887840     14.33007574    -16.61357553
  H     18.48743214     14.67218710    -11.85533160
  O     18.03468781     17.44097314    -17.78485265
  H     22.25564524     14.15245361    -16.87174436
  H     18.37552925     11.16077978    -17.08548081
  O     21.66128580     15.26133303    -12.22510426
  H     18.16588312     17.75627350    -13.78932040
  H     18.41565925     11.42262291    -15.55110278
  O     21.33189645     16.27656562    -14.81233097
  H     17.43160878     18.41415547    -12.59761539
  H     19.81415073     15.27606718    -15.31477897
  O     19.03483856     15.44905112    -11.67976056
  H     20.33788247     12.27519582    -14.04502665
  H     18.38186998     15.01314465    -15.90113609
  O     17.83803484     11.15764556    -16.27980232
  H     19.28181684     13.10876990    -14.78258639
  H     18.59075760     14.85771989    -19.69719586
  O     19.22257431     14.60227749    -15.67325009
  H     16.80832801     13.28648950    -19.04044866
  H     18.92318548     16.19021485    -18.98382980
  O     19.30682326     15.47863565    -19.50979644
  H     16.75232760     13.19307241    -20.58113301
  H     16.35640164     15.52055406    -15.51309212
  O     16.66801447     15.51977486    -16.42892859
  H     20.21451227     14.05144058    -17.08007021
  H     16.42476322     14.66764569    -16.81542568
          69
 Energy    -250.56857404431054     
  O     -3.64454575     -0.53817255      2.79514262
  H     -3.97320820      0.02772143      2.07719312
  H     -2.75812023      3.22417646     -0.60596737
  O      0.73162008      2.38171374      2.78866010
  H     -3.22146083      0.05238482      3.43019159
  H     -7.26170611      1.89638324      1.94650092
  O     -1.93376956     -1.72504668      1.02215615
  H     -0.06356307      2.93024755      2.79938787
  H     -7.30332587      1.64789996      0.39632780
  O     -4.81009792      1.12951422     -1.95447927
  H      0.62298145      1.74371847      3.50491402
  H      2.23774988      1.12503038      0.31032135
  O     -2.67720033     -0.48673339     -2.71716450
  H     -2.52757188     -2.14504204      0.38397960
  H      1.14639495      1.51445676      1.33420802
  O     -4.45349172      1.16207530      0.81047116
  H     -2.49944521     -1.38365862      1.73045416
  H     -4.19404187      2.03422266      4.59099169
  O     -7.29353220      1.17623346      3.65880842
  H     -4.14129893      0.57427524     -2.37369806
  H     -4.83974269      3.32355798      4.04945212
  O     -7.38556279      0.44884334     -0.95009235
  H     -4.71881577      0.98870606     -0.99860111
  H     -2.57367723      4.12541812      2.92575566
  O     -2.41737086      1.38109189      4.38861822
  H     -2.04726195     -0.17444532     -2.04589970
  H     -1.93113726      3.32826081      1.76910633
  O     -4.13663178      3.78403829     -1.76104536
  H     -2.15989200     -0.81627193     -3.44768507
  H     -4.47580984      5.77236435      3.44740604
  O     -6.49111059     -2.05321340      0.05518760
  H     -5.29759931      1.59503388      0.99688685
  H     -4.68163881      4.80213992      2.26046549
  O     -2.27832532      2.79929958      0.11533796
  H     -3.77308055      1.84167416      0.72406161
  H     -6.73593667     -0.53651424      3.02381503
  O     -7.01377835      2.26187754      1.08826603
  H     -7.95345574      1.27298712      4.34018825
  H     -5.36425242     -1.20660523      2.84941163
  O      1.34379522      0.93135700      0.57885788
  H     -6.48833396      1.61848955      3.98432505
  H      0.64490833     -0.14536856      5.32353952
  O     -5.04416024      2.46590084      4.44121866
  H     -7.15900195     -0.43571739     -0.63264194
  H      0.24755484     -0.35200746      3.84315631
  O     -1.83161070      3.54852483      2.70789937
  H     -6.66344162      0.69586429     -1.54053670
  H      0.88958452     -0.60956602      1.70323425
  O     -4.26390855      4.89659645      3.13536749
  H     -2.20223318      2.12028957      3.80112837
  H     -0.31507514     -1.55090409      1.89659033
  O     -6.30653914     -1.31998331      2.66126452
  H     -1.57662353      0.96318715      4.61223233
  H     -3.58421140     -1.86757902     -1.58700634
  O      0.14458498      0.24030517      4.60957508
  H     -4.20491583      4.26571528     -2.58125405
  H     -4.70741601     -2.28474604     -0.60252975
  O      0.47664134     -1.20914738      2.33516787
  H     -4.44784364      2.87997318     -1.93778196
  H     -1.42660545     -0.33715400     -0.01461279
  O     -3.79364213     -2.46227951     -0.85935796
  H     -7.01485953     -2.84992439      0.01017199
  H     -0.20979563      0.57270720     -0.32856914
  O     -1.11065182      0.36257030     -0.60727940
  H     -6.44010089     -1.81149572      0.99713606
  H     -5.04119755      4.37237345     -0.13054606
  O     -5.44433541      4.50787418      0.73279594
  H     -1.86759445      1.98984298     -0.21944963
  H     -6.11447798      3.81509089      0.83218786
          69
 Energy    -250.56848564272704     
  O     -2.83832527      5.26808358      3.28588339
  H     -2.81111352      6.12457002      2.82889134
  H     -0.56247091      5.10149294     -3.55949115
  O      1.77156441     10.22357054      0.12807207
  H     -3.43553615      5.37193830      4.02273402
  H     -2.70112751      0.68123821     -3.21303457
  O     -0.53474987      7.91230763     -2.07287990
  H      1.05533156     10.47914608     -0.46665150
  H     -1.64199636      1.41551797     -2.35570246
  O      0.69754854     10.44768266      2.61240357
  H      1.88083707      9.27045969      0.00205275
  H      1.36083441      4.26478489     -2.97575874
  O     -1.77483813     10.35650057      1.16502575
  H     -1.35271954      7.57819947     -1.67873628
  H      2.56208185      3.32365175     -3.23140224
  O     -2.71488294      6.79494891     -0.71449531
  H     -0.56447210      8.87229771     -1.97210211
  H     -0.91420028      5.04517195      3.46024880
  O     -2.47054756      7.64121223      1.89391118
  H      1.15790573     11.05800465      3.18120377
  H      0.22289037      6.01737376      3.10557006
  O     -1.05483955      4.66581148     -0.48558655
  H      1.16933268     10.44313231      1.75938094
  H     -3.75701183      2.85052759      0.01071977
  O     -2.51660628      3.21268609      1.34514816
  H     -2.19540084      9.53682015      1.44882103
  H     -3.73768289      2.22966107     -1.40508825
  O     -0.21865125      1.57514326      1.00398609
  H     -1.02549425     10.48812113      1.76029249
  H     -2.25104038      3.24837999     -3.12745089
  O      1.68538792      3.27895716      2.28301103
  H     -3.47161732      6.39566969     -1.15983428
  H     -2.93908458      4.61719956     -2.91471238
  O      0.29649754      5.54505916     -3.50108516
  H     -2.09539306      6.06592666     -0.54304269
  H      1.94324024      4.20746140     -0.90357469
  O     -2.55135382      1.47329152     -2.70513927
  H     -1.50963054      7.64367326      2.02367259
  H      1.83900043      4.15280735      0.66902261
  O      1.87068980      3.52122327     -2.60527850
  H     -2.63741928      7.40230993      0.96967701
  H     -4.53475084      4.33277865     -1.57505072
  O      0.04416388      5.11064575      3.39140585
  H     -0.09938057      4.68759272     -0.35862278
  H     -5.43162948      5.24923574     -2.44325019
  O     -4.25236566      2.79759966     -0.81799246
  H     -1.23632638      4.38606040     -1.39190393
  H      0.46355228      8.58167748      2.60404185
  O     -2.09544794      4.20215375     -3.13155268
  H     -2.72043935      3.82265636      2.06268855
  H      0.70573790      7.57032334      1.45554100
  O      1.73712233      4.71636466     -0.10848018
  H     -1.96692452      3.71150834      0.71921014
  H      0.79035601      7.56427868     -0.85803031
  O     -4.55953921      5.17492939     -2.06631737
  H     -1.06267799      1.97817311      1.24501914
  H      1.70231779      6.50968958     -0.16884625
  O      0.28712469      7.67627231      2.32236848
  H      0.45398841      2.06299405      1.49339667
  H     -0.05094767      1.50815740     -0.78302999
  O      1.46238986      7.44616377     -0.17230123
  H      2.33322262      3.00583258      2.92670171
  H      0.63056774      2.13959458     -2.03562216
  O     -0.05866859      1.53108941     -1.75238832
  H      1.09509521      3.91390841      2.72891614
  H     -1.02265612     11.40449153     -1.74935688
  O     -0.67660903     10.62478503     -1.32324427
  H      0.11420914      6.41510967     -3.12777146
  H     -1.14067496     10.54186505     -0.47104650
          69
 Energy    -250.56806353691195     
  O     11.79162213      2.84451073    -10.89993547
  H     11.76901262      3.49836486    -10.18538070
  H     18.63308208      5.42238069    -16.60449390
  O     18.03102467      4.85086921    -10.46317208
  H     11.09837595      2.21425435    -10.71237205
  H     17.47847330      6.32439623    -12.92784254
  O     14.61991443      8.43669660    -11.94193754
  H     17.44947709      4.15676764    -10.13433528
  H     17.88347635      5.43853981    -14.13101530
  O     15.09371151      8.73617993    -16.39299653
  H     17.95757603      4.85718076    -11.42675620
  H     14.50110905      5.13067163    -12.01252403
  O     18.14634573      7.44744898     -9.73002382
  H     14.23710163      8.89171648    -11.18332963
  H     14.32502174      5.56690497    -10.52343681
  O     14.59932327      5.09694452     -8.75484748
  H     14.51559111      7.48897641    -11.75531563
  H     14.80259516      2.67492236    -12.06675288
  O     16.22175909      2.90658257     -9.35326173
  H     15.95380673      8.73509415    -15.93548371
  H     13.59150375      2.31458700    -11.17629386
  O     13.32424339      7.93049105    -14.35639775
  H     15.11166786      9.46160246    -17.01133967
  H     14.29666668      8.71419313     -9.05467290
  O     15.50912154      5.92671205    -16.82686309
  H     18.13242663      6.49308681     -9.92836122
  H     13.49611841     10.03723786     -8.96668841
  O     11.79268863      4.69746387     -8.76672183
  H     18.97594881      7.62465723     -9.29438200
  H     12.14785459      7.92898533     -9.53382007
  O     17.49632258      8.49824389    -15.14356096
  H     15.13711238      4.29899988     -8.84472703
  H     11.35886136      7.17240015    -10.62144692
  O     18.06304086      5.78838494    -15.93410313
  H     13.67825272      4.83826530     -8.62957248
  H     16.38165941      8.29902775    -12.23551855
  O     17.61587666      5.40692040    -13.20379166
  H     16.58125759      2.15114465     -8.89647516
  H     17.69248384      7.98778815    -11.47684815
  O     14.11517130      5.80074764    -11.43470731
  H     15.63587173      2.56295439    -10.05255775
  H     15.27365051      6.78149618     -8.48034310
  O     14.53473917      2.15439790    -11.29456818
  H     13.79559494      8.21716992    -13.56062268
  H     16.46217765      7.67965629     -8.89042124
  O     13.55837242      9.21637833     -9.44734395
  H     13.82398629      8.28294342    -15.10313885
  H     12.45946719      6.33019118    -12.03337512
  O     11.50042532      7.22622614     -9.66580769
  H     14.79386732      5.51456050    -16.32419072
  H     11.95833658      7.28005383    -13.13361261
  O     17.31498486      8.07270967    -12.36053746
  H     15.30792886      6.87071120    -16.83790653
  H     14.69529108      4.33380212    -13.93277924
  O     15.57640745      7.69968964     -8.50979662
  H     11.26827178      4.60185300     -7.97564486
  H     16.10588250      4.43401811    -13.26446634
  O     11.65431927      6.73289798    -12.39950874
  H     11.66401530      5.61401497     -9.07378031
  H     11.57529806      3.62075863    -12.69311622
  O     15.24830694      3.99028785    -13.21744371
  H     17.52869770      8.47912435    -14.17805953
  H     11.27263397      5.04813358    -13.15036378
  O     11.43521881      4.15409203    -13.48267541
  H     17.83953845      7.64581574    -15.43873093
  H     13.42898740      6.10345625    -14.77976310
  O     13.50999189      5.16811172    -15.01290042
  H     17.15589936      5.76006993    -16.28938559
  H     12.74725842      4.71579378    -14.62426269
          69
 Energy    -250.56731728279624     
  O     17.65642797      7.64644857    -13.79574743
  H     18.20434005      7.95425239    -13.06184532
  H     14.39608117      9.28758967    -16.17980264
  O     12.68153706     11.26331191    -11.76585964
  H     17.92701196      8.10292723    -14.60686005
  H     17.24732229      8.10164907     -8.78068025
  O     18.12746583      9.18848167    -15.99560789
  H     11.91317410     11.74277733    -11.46937947
  H     18.18671683      6.88460248     -8.92330705
  O     11.93688013      9.33118950    -13.49750057
  H     12.36512563     10.60167764    -12.40941538
  H     14.81402507      9.16342485    -11.77324646
  O     15.90783350      5.60149853    -13.18310693
  H     17.31328257      9.41205191    -16.46188122
  H     13.74719902      9.88623704    -10.93586690
  O     18.90694624      8.57311984    -11.49236061
  H     18.51219596     10.03314932    -15.72962334
  H     20.24390736      5.65519981    -10.01565411
  O     19.27693281     11.18382775    -12.45128571
  H     11.82734605      8.41209725    -13.22705142
  H     18.79290126      5.55883311    -10.54548652
  O     16.92112908      9.64934711     -9.81050015
  H     12.48005611      9.29855542    -14.29791576
  H     15.47905286     11.06488118    -13.03924647
  O     11.96202531      6.52999533    -12.83787514
  H     15.32340456      5.97452677    -12.50947197
  H     14.35093397     11.92780227    -12.45013982
  O     15.68108949     10.24050694    -17.12084364
  H     16.54354469      6.28892892    -13.43655576
  H     16.77159818      4.64524359    -10.35114687
  O     13.82642640      6.23231046    -15.03375439
  H     19.23623935      7.76827204    -11.07288189
  H     16.98809731      4.77836307    -11.86978140
  O     13.81498629      8.92556176    -15.50081336
  H     18.19932080      8.90912616    -10.92398931
  H     14.89570042      9.17056046    -14.08720486
  O     17.39043732      7.19673310     -8.47514119
  H     19.31200880     10.26566537    -12.15239953
  H     16.29322818      8.77071292    -13.52472224
  O     14.41238098      9.19132183    -10.88744489
  H     18.65352611     11.63080095    -11.86692415
  H     19.13784332     11.55201355    -14.12985145
  O     19.45854500      6.16958602    -10.18015963
  H     17.07094303     10.58492798     -9.99081867
  H     19.78136310     12.20974952    -15.37204021
  O     15.26148239     11.97159373    -12.76633454
  H     16.01265848      9.46800649    -10.09168812
  H     17.20248535     12.21475162    -15.30199366
  O     17.44185147      4.57490550    -11.04127239
  H     11.28234350      5.90697903    -12.59250972
  H     15.85473028     12.37984161    -14.56490204
  O     15.51622027      9.31792419    -13.36085674
  H     12.67465174      6.43719996    -12.18368896
  H     14.17168887      7.42107055    -10.93968764
  O     19.00277279     11.74688269    -15.07424491
  H     15.61276167     10.56315003    -18.01573631
  H     14.50440616      6.01461754    -10.36646517
  O     16.25022379     12.31071595    -15.44116608
  H     15.82223581     11.01858117    -16.55177128
  H     17.17625994     13.16487290    -10.45932397
  O     14.10539135      6.47142937    -11.11725759
  H     14.59045908      5.88803421    -14.55374918
  H     16.49808206     12.25103975    -11.50751937
  O     17.19390121     12.28590011    -10.82943727
  H     13.10242362      6.23420853    -14.39565564
  H     16.15304441      5.99978679     -8.75480764
  O     15.52569889      5.30062830     -9.01353786
  H     13.86593962      7.95642901    -15.51479760
  H     15.29977631      4.82562272     -8.21846519
          69
 Energy    -250.56638098589650     
  O     13.62711595      4.17509080    -11.86558542
  H     13.17864282      3.33105526    -11.73691583
  H      8.99091556      8.89976316    -12.02559375
  O     15.24082374      5.25036196     -9.94885311
  H     13.02835731      4.70385462    -12.40786311
  H     10.53304991      4.44433558    -12.20763532
  O      7.81172128      5.03706154    -13.02484595
  H     14.67913574      4.87795088    -10.65251098
  H     10.59214835      2.98001866    -11.72602418
  O     14.27114678      7.93549387     -9.58898008
  H     16.14337751      5.07917521    -10.20513855
  H      8.40443864      6.15765820     -9.25179975
  O     12.43969974      7.94772093     -7.34975279
  H      8.44890479      4.44273683    -12.60889381
  H      7.40711072      7.07106776     -9.99914078
  O     12.02486356      1.82462721    -11.44891475
  H      8.31504276      5.54558238    -13.67353302
  H     11.72911300      6.42422867     -9.90433832
  O     13.43543981      4.29209745     -7.99397072
  H     14.66403648      7.05462362     -9.65238037
  H     10.71941483      5.51365466     -9.12742529
  O     11.54808569      5.69062586    -13.05720651
  H     13.88157691      8.00004499     -8.70905596
  H     10.66894055      7.19220716     -4.33187145
  O      9.85262881      8.95981514    -10.34818636
  H     12.09742582      7.27335795     -7.95902847
  H     10.12467663      7.30273023     -5.77443812
  O      6.47155417      6.92706118    -11.60537160
  H     12.11947930      7.67706738     -6.48135040
  H     11.25848664      2.06160887     -8.26562547
  O      9.76127304      2.70970970     -7.25987374
  H     12.20540591      0.93683949    -11.74458674
  H     12.65243585      2.67946756     -8.48330734
  O      8.47071838      8.61173486    -12.78649356
  H     12.05115478      1.81013528    -10.47464401
  H     11.17429870     10.91393397     -7.69998133
  O     10.00637375      3.74358283    -11.79453434
  H     12.74528775      4.85299850     -8.38381720
  H     11.45889154      9.39441600     -7.75190918
  O      8.06884100      7.06522371     -9.29652038
  H     14.23088809      4.51524065     -8.48916387
  H      9.29648605      3.87236247     -8.61669528
  O     11.55893022      5.98365572     -9.06252166
  H     11.78226979      6.43015550    -12.47365633
  H      9.42809600      4.19180111    -10.15024483
  O     10.85500039      6.94984865     -5.23535208
  H     10.92257956      6.04205205    -13.70142683
  H     12.90599789      7.88097685    -10.77183050
  O     12.07416789      1.95865762     -8.76866422
  H     10.14424022      9.49851396     -9.60323130
  H     11.37496147      8.19992063    -10.98474432
  O     10.79547414     10.07630146     -7.95325388
  H      9.27036588      8.27818093     -9.98082710
  H     11.30628748      5.17161612     -5.66352160
  O      9.19675476      4.56115250     -9.28544451
  H      6.89590679      6.19039673    -12.08164149
  H     12.31451934      4.28796213     -6.44725709
  O     12.10694923      7.63032520    -11.25801677
  H      5.53528564      6.85872301    -11.77126501
  H      9.37802686      7.14822528    -15.45892372
  O     11.51008491      4.26205074     -5.91255369
  H     10.34695404      3.25758667     -6.70508791
  H      9.14918174      7.51855019    -13.97438075
  O      9.45001536      6.80931856    -14.57082622
  H      9.23998122      2.17480583     -6.66776567
  H      9.44114137      8.90723973     -7.15370084
  O      8.97929436      8.12387673     -6.83181068
  H      7.69483348      8.17107797    -12.41751134
  H      8.54422849      7.74032322     -7.60438603
          69
 Energy    -250.56623969330190     
  O     15.88599710     11.73722732    -11.36280470
  H     16.63976731     11.23178550    -11.69766462
  H     16.98834215      2.51632852    -12.41700480
  O     15.52633223      6.81604296    -15.05876802
  H     15.65416442     11.33439226    -10.51857629
  H     17.96078510      8.14310724     -9.61040254
  O     13.52633216      5.77400512    -11.08539658
  H     15.13974238      6.04351913    -14.62300287
  H     18.06055695      9.43668188    -10.45573111
  O     18.18451845      6.28162727     -9.79973030
  H     14.79817032      7.40034351    -15.30791789
  H     16.87674330      7.06642741    -12.35650227
  O     18.25279703      9.97390017    -15.05433744
  H     12.58241277      5.66421262    -11.25590488
  H     15.90950102      7.58353395    -13.42533156
  O     10.53626287      7.94610787    -13.29519096
  H     13.67465564      6.71878968    -10.93691538
  H     14.75952446     11.98909008    -12.62961164
  O     13.45824031      8.59747523    -15.45994415
  H     18.36091803      6.12414468    -10.74325355
  H     13.88099346     12.95476969    -13.46328387
  O     14.15590791      8.45522069    -10.88285962
  H     18.90911206      5.88697974     -9.31886944
  H     11.42173724      4.92101347    -13.59766141
  O     18.31782710      7.08178625    -14.93107852
  H     18.71740095     10.48892387    -15.70865642
  H     12.77743553      4.64028395    -14.26379743
  O     11.20983872      6.98057260    -15.92476703
  H     17.30375424     10.15052653    -15.18588320
  H     14.90117363      9.85650534    -15.56692532
  O     18.27976557      5.83370590    -12.49051142
  H     10.62634749      7.71339148    -14.22726972
  H     15.15092133     11.09454780    -14.69663924
  O     16.76104312      3.43972683    -12.48231975
  H     11.19862129      8.63040652    -13.12786390
  H     16.51396151      5.19651566     -9.88242051
  O     17.83808362      9.09955391     -9.57753553
  H     12.69807728      8.08991705    -15.76937724
  H     15.04206864      4.95773353    -10.33479501
  O     16.20005362      7.73551153    -12.51639585
  H     13.21788212      8.93411407    -14.58428204
  H     15.23899928      4.18396473    -13.30283025
  O     14.14062693     12.04136480    -13.38080021
  H     14.92189153      8.22582962    -11.43493804
  H     14.18695629      5.14641903    -12.69976521
  O     11.84134300      4.78423805    -14.45605513
  H     14.47970209      9.01802238    -10.17012485
  H     10.02639054      5.41408448    -11.45460747
  O     15.58456625     10.48585924    -15.30695252
  H     18.42687740      8.03780618    -14.99346989
  H     10.68971738      6.49894000    -12.33643960
  O     15.88714043      4.52014271    -10.16243086
  H     17.39003648      6.91917003    -15.15543790
  H     13.10896908     10.52637048    -13.08320891
  O     14.48864025      4.74591490    -13.52836949
  H     11.44768316      6.15038119    -15.47383770
  H     13.18888746      9.25419279    -12.19569130
  O     10.83821193      5.64015784    -11.90038934
  H     10.67314426      6.74197755    -16.67551272
  H     15.32563578     10.40144286     -8.11041476
  O     12.74169613      9.64208627    -12.96083919
  H     17.85703738      4.97688925    -12.62950227
  H     16.30217568      9.76607242     -9.13089636
  O     15.41000937     10.14469409     -9.02424296
  H     18.43948910      6.23581941    -13.35865182
  H     18.19277185     10.08824964    -13.16260410
  O     17.85383345      9.95390327    -12.27038274
  H     16.44943315      3.72173615    -11.60188601
  H     17.23704985      9.21056244    -12.35257949
          69
 Energy    -250.56495443860388     
  O     -0.62615558     -0.04827036      1.56187327
  H     -1.40157525     -0.42722826      2.00640621
  H      0.37234759      4.97899777      1.57104294
  O     -5.39073697     -3.09989286      3.70216077
  H     -0.91928702      0.78481280      1.17421856
  H     -1.47984476      4.47335176      6.56704078
  O     -4.84566656     -1.62132518      1.35813478
  H     -4.68193905     -3.75041188      3.61983094
  H     -1.86775317      4.05241692      5.12956447
  O     -3.23034174     -2.18290325     -0.87454347
  H     -5.41596390     -2.64799453      2.84900847
  H     -1.56066125      1.92816251      6.09519666
  O     -1.78921820      2.30144317      0.69735607
  H     -4.45850058     -1.96266368      0.54292689
  H     -0.93833534      0.71518408      5.35914493
  O     -3.28133049      0.54772701     -0.95621307
  H     -4.09136550     -1.43620378      1.94200439
  H     -3.18502963      3.90686796      3.14345519
  O      0.66219832     -2.43932060      1.22947677
  H     -3.35658337     -2.49865417     -1.76577178
  H     -1.80585933      4.56438130      2.94591485
  O      1.04548836     -2.28444474      4.11102230
  H     -3.14141568     -1.21539871     -0.93531123
  H      0.18195778      3.42317399      4.84206421
  O     -1.60510362     -2.91097886      4.70262822
  H     -1.20080724      3.01767417      0.96650826
  H      0.81519060      2.19424138      4.16568446
  O     -3.13212828     -4.78191378      3.25809129
  H     -2.56036717      2.34931705      1.28161225
  H     -2.32210660     -1.67909912      3.56736326
  O     -4.06670538      2.44360305      2.33619741
  H     -4.14357865      0.76170063     -0.57965658
  H     -3.14451282     -0.35176488      3.55151354
  O     -0.21590160      4.29632797      1.88185536
  H     -2.66642615      1.17653457     -0.55797308
  H     -5.48740693     -0.00493503      0.92413994
  O     -1.38646629      3.77165694      5.92843300
  H      0.27602875     -1.54700741      1.26486924
  H     -6.60727230      0.90883348      0.37301948
  O     -1.65838618      0.97824478      5.95073726
  H      1.37421345     -2.40359033      0.59546657
  H     -3.66258099     -1.46351906      6.55972032
  O     -2.54047790      4.48767832      3.56736363
  H      0.17411480     -2.59232899      4.40162622
  H     -2.33593576     -0.67523510      6.68245725
  O      0.77999328      3.16012851      4.13230921
  H      1.06797928     -2.45568007      3.16277483
  H     -6.20020023     -1.40223238      6.24244824
  O     -2.72571278     -1.01637713      2.99050635
  H     -1.99079569     -2.56579160      5.52211738
  H     -5.41483815     -1.96415511      5.03535998
  O     -5.68291999      0.89342157      0.60779093
  H     -2.12484381     -3.66271204      4.39626510
  H     -0.95265505     -3.42615941      1.14779082
  O     -2.72981752     -1.55111537      6.79050812
  H     -2.68871702     -4.45013199      2.45614681
  H     -2.28203178     -3.25679211      0.38902962
  O     -5.40075158     -1.28790586      5.73547990
  H     -3.07070942     -5.73309881      3.23054298
  H      0.77465746     -0.49262583      4.29739659
  O     -1.84910200     -3.77711069      1.07598595
  H     -4.10042647      1.92657372      3.15537316
  H      0.06637890      0.36059651      3.24091797
  O      0.40376095      0.38803403      4.14578530
  H     -4.71215314      2.04619901      1.74006089
  H     -3.23941654      0.96028542      5.12212881
  O     -4.03395606      0.85756450      4.57652513
  H      0.21651309      3.88126732      2.65011504
  H     -4.60916159      0.21284309      5.00820569
          69
 Energy    -250.56484217379420     
  O     -4.51656680     -0.33296068      2.72094853
  H     -4.28418648      0.45809179      3.22736115
  H     -2.33365067      2.91046846     -0.96348901
  O      0.20179046      2.80462262      3.62265373
  H     -3.69482751     -0.81912237      2.56024077
  H     -5.65018454      2.18657521      0.60021549
  O     -2.11011752     -1.48583295      1.98718365
  H      0.73791997      3.53200411      3.92875046
  H     -6.31072801      3.11436654      1.65312255
  O     -3.68905474      0.77103850     -2.98108928
  H     -0.55745338      3.19456165      3.15816096
  H      0.80528065      1.22307302      2.76071902
  O     -1.72659128     -1.15519231     -2.14820113
  H     -1.52747144     -1.61014853      2.74655235
  H      0.54874709      0.28616242      1.55371368
  O     -4.36860829      0.96311115      0.30413067
  H     -1.64784717     -0.88534827      1.38505955
  H     -5.13654236      4.51131489      2.89364891
  O     -7.96523102      0.68471120     -0.06662728
  H     -4.51615565      0.35655638     -2.70303926
  H     -5.08462033      3.15375396      3.62396883
  O     -3.60190662      1.99102548      3.92479163
  H     -2.98815658      0.15173119     -2.74240812
  H     -2.59812750      4.47890662      2.22656193
  O     -3.28640203      3.41837819     -2.50408303
  H     -2.22482725     -1.75608966     -1.56396582
  H     -2.00807733      3.29839633      1.41384106
  O     -5.87443722     -0.41312653     -1.65660062
  H     -1.26061711     -1.70582836     -2.77236685
  H     -4.24588659      5.41931970      0.99500769
  O     -5.85555055     -2.94850779     -0.40741809
  H     -4.75339537      0.42707953     -0.39925246
  H     -4.03397159      6.63619896      1.92606240
  O     -2.15012610      2.45455792     -0.13485095
  H     -4.42939589      0.46485714      1.13049691
  H     -7.28425152     -0.67926955      1.16941822
  O     -6.41567227      2.75998567      0.75765380
  H     -8.88990024      0.89330513     -0.17072481
  H     -6.11026606     -1.04948190      2.11744342
  O      0.98865515      0.34106765      2.41278255
  H     -7.52856628      1.49704292      0.24291002
  H     -1.07165736      0.10923990      4.94757346
  O     -5.68562984      3.77750017      3.19534365
  H     -3.10488088      2.55896026      3.32161807
  H     -0.77227813      1.60792129      4.80099248
  O     -2.02236160      3.70685663      2.29223710
  H     -2.94070344      1.60898161      4.52055721
  H      0.29568531     -0.83220949      3.50353709
  O     -3.94005022      5.68864907      1.87997458
  H     -3.02104174      3.83466814     -3.31982051
  H      0.36087120     -2.02846410      4.48584060
  O     -6.83173678     -1.41991743      1.58929400
  H     -3.46736470      2.48481910     -2.71591068
  H     -3.99125695     -2.86570219     -0.35194103
  O     -1.38599641      0.98309220      5.20754712
  H     -6.66849947     -0.02991030     -1.26109143
  H     -2.77202811     -2.44732575      0.51332481
  O     -0.24039569     -1.41506413      4.07257160
  H     -5.85474002     -1.33871135     -1.38070469
  H     -0.88910664     -0.32665728     -0.66925581
  O     -3.04072540     -2.70499991     -0.37822943
  H     -6.35992791     -3.75060399     -0.51140106
  H     -1.09350539      1.01372247      0.05729850
  O     -0.68930679      0.13948392      0.15144872
  H     -6.22443038     -2.48017831      0.36358331
  H     -5.53608485      4.13425620     -0.20157102
  O     -4.87431548      4.77041695     -0.50430582
  H     -2.93451343      1.90623940      0.03714979
  H     -4.39108227      4.34361469     -1.22088581
          69
 Energy    -250.56475707347266     
  O     17.58917875     11.17845262    -14.10595882
  H     18.04042319     10.69437373    -13.39991283
  H     16.36511944     11.09315104     -9.82653463
  O     15.11553730      6.05199193    -12.58309026
  H     16.91728552     11.71794786    -13.67482634
  H     16.73135741      9.00425764    -12.24260772
  O     12.08025408      9.30144162    -11.94714459
  H     15.01405854      5.95022495    -13.53732248
  H     15.25325281      9.25636162    -12.64939250
  O     19.13934494      6.91496975    -12.77257833
  H     15.42810873      6.96160484    -12.45600924
  H     17.36739267     10.18354803    -15.50625428
  O     11.83656416      8.13605856    -16.15452364
  H     12.34519459      8.39296980    -11.73459865
  H     17.73635997      9.91674171    -16.98494506
  O     14.89506327      6.20682757    -15.34873438
  H     11.37691325      9.23360785    -12.60576219
  H     11.51960155      6.14700257    -12.55551801
  O     14.08100647     10.31546662    -13.57182660
  H     18.59513102      6.91113145    -13.58138780
  H     10.59298436      6.91558373    -13.51582150
  O     16.31145373      7.72917347     -9.58515239
  H     19.96955512      6.50531207    -13.00241067
  H     16.77747882      6.57613634    -15.16217387
  O     12.23398477      5.33363726    -15.65411899
  H     11.93272688      7.17575610    -16.14057225
  H     17.55918684      7.86803131    -15.46772339
  O     17.35978040      5.58244916    -10.92936685
  H     12.73405489      8.48964313    -16.21258442
  H     12.40492546     10.91778388     -9.16197998
  O     13.59870576      7.68692792     -8.85490247
  H     14.04870449      5.77695374    -15.52342372
  H     12.66876375     10.09894347    -10.44275460
  O     15.63088098     11.61480531    -10.16865807
  H     14.75452582      7.14860424    -15.52653705
  H     12.96903490      6.89287296    -10.36776853
  O     15.82978661      8.67595240    -12.14041272
  H     13.33958341     10.07371861    -13.00053395
  H     13.55982661      6.37060980    -11.71260515
  O     17.23652265      9.56950502    -16.25104841
  H     14.43398667     11.17069016    -13.29559867
  H     10.83492765      8.62483084    -14.81359994
  O     10.97884975      6.04762841    -13.35143008
  H     15.99357808      8.12855943    -10.41012317
  H      9.44570632      9.10005367    -14.32794617
  O     17.62171120      7.01865458    -15.01368790
  H     16.73261693      6.89967850     -9.85438748
  H     18.31984459     10.03220372     -8.49462263
  O     13.08188051     10.43264503     -9.62944325
  H     11.82354820      4.55653018    -16.02358521
  H     17.33909201      9.11525256     -9.26544283
  O     12.75149832      6.69237908    -11.28887416
  H     11.79269356      5.50501335    -14.80276046
  H     15.40943039      9.17913533    -16.17258310
  O     10.29254416      8.78822294    -14.02066620
  H     18.03529712      5.95976582    -11.50592064
  H     14.33538556      9.44914170    -15.09552068
  O     17.84097415      9.94794615     -9.31497931
  H     16.57332830      5.49548428    -11.48623798
  H     15.37961948     13.49995573    -12.67293622
  O     14.51878925      8.93348060    -15.89562780
  H     13.41649003      8.62866495     -8.95162616
  H     15.58260293     12.26152556    -11.76619234
  O     15.49279918     12.55367029    -12.69149702
  H     14.55933120      7.60508499     -8.92976712
  H     18.45161813      9.69842700    -11.10491766
  O     18.50997502      9.54775512    -12.05629308
  H     14.81401192     11.16920024     -9.91027317
  H     18.84652904      8.65373162    -12.20873732
          69
 Energy    -250.56411830503919     
  O     -3.87986652     -0.06683604      0.29340704
  H     -4.07780279     -0.32160022      1.21094349
  H      0.37387010     -5.89932096      0.09041505
  O     -3.28112094     -2.08541899      7.21944790
  H     -4.62800014      0.44096305     -0.01328160
  H      1.18933143      1.23917716      3.18717830
  O     -1.72293756     -0.03278879      3.55145306
  H     -3.28347657     -1.72504860      8.10240010
  H      2.07582466      0.13115047      2.60670595
  O     -4.21462146     -0.91370279      2.87850877
  H     -2.45698828     -1.78525031      6.79780649
  H     -0.83221909     -2.00377768      0.88997515
  O      1.63717316     -1.14577504      5.55403418
  H     -1.32200654     -0.66090068      2.92931460
  H     -0.78797867     -2.77652580      2.21398649
  O     -2.99572018     -4.72308243      6.18828995
  H     -1.32760510      0.82628677      3.36317217
  H     -1.01785421     -4.48516641      3.44523485
  O     -1.03664517     -1.39211263      5.84629276
  H     -3.37587229     -0.53440178      3.18122222
  H     -2.19365074     -4.31089272      2.42164246
  O      2.27069412     -3.81795512      4.58231336
  H     -4.70435038     -1.18276705      3.66905986
  H      1.64137420     -0.69066423      0.24161186
  O     -5.09366503     -4.79333185      4.47514224
  H      1.78467133     -0.49313081      4.85272529
  H      1.01960253     -1.29262452      1.51016811
  O      2.43749414     -3.66087302      1.87128379
  H      1.97981918     -1.98447147      5.22769079
  H     -4.36119373     -4.12226508      2.91775048
  O     -0.73226599     -2.69348181     -0.89827236
  H     -3.12957025     -3.89958414      6.67584130
  H     -3.93635365     -2.70626025      2.45902896
  O      0.35295177     -4.98654702      0.36683300
  H     -2.08686621     -4.68572468      5.86501713
  H      0.10907176     -1.21147948     -1.30488122
  O      1.89480544      0.62413456      3.41710821
  H     -1.33941858     -0.86876527      5.09173919
  H      0.83327695     -0.22013620     -2.24686421
  O     -0.68190322     -1.89466803      1.83701478
  H     -0.07705222     -1.25849194      5.89742892
  H     -0.67586796      1.90459596      1.69748483
  O     -1.26089761     -4.55317556      2.51137434
  H      3.05148808     -4.25820100      4.90840206
  H     -0.45672627      3.15587461      2.58170173
  O      1.86428480     -1.01721032      1.12000038
  H      2.35991783     -3.77516162      3.61447487
  H     -2.13188277      0.76176037      0.18898392
  O     -3.85683297     -3.64648569      2.24535254
  H     -4.33680201     -4.85571965      5.08571221
  H     -0.68323341      0.72988065     -0.37416883
  O      0.55253858     -0.34560942     -1.34416144
  H     -5.67163702     -5.52409543      4.67605925
  H     -3.63747332     -3.23039342      0.39594809
  O     -0.38713662      2.20521142      2.57818796
  H      1.83148288     -4.15098468      1.30467549
  H     -3.62437963     -1.85798905     -0.30259431
  O     -1.27830769      1.21004975      0.21384648
  H      2.42465832     -2.74895064      1.55074215
  H     -5.38251969     -2.93161925      4.96367722
  O     -3.39596950     -2.78806515     -0.42782168
  H     -0.32180926     -3.51245864     -0.59479876
  H     -4.66733771     -1.94356137      5.90012122
  O     -5.28157462     -1.99168324      5.15679595
  H     -1.69527480     -2.80740332     -0.86157111
  H     -0.70043355     -3.13298276      5.33045456
  O     -0.47776143     -4.04275084      5.08659119
  H     -0.24052545     -4.93948963      1.13753480
  H      0.48359068     -4.07094957      4.99522073
          69
 Energy    -250.56340046113098     
  O     12.79836617      9.37666618    -16.50449403
  H     13.02554096      9.37998976    -17.43030357
  H     16.43505262      8.50095474    -11.00924316
  O     13.97656090      8.55136735    -14.09224062
  H     12.51168649     10.28095262    -16.28295572
  H     14.88705892      7.70484550    -12.64633156
  O     13.65083377     13.09809361     -6.91724731
  H     13.15655544      8.51882351    -13.57476129
  H     14.34638493      7.23548167    -11.28751314
  O     11.82249980     11.81276542    -15.77440423
  H     13.70970554      8.74913298    -14.99814549
  H     14.80241452     14.23579506    -11.32656451
  O     11.62989794      8.52244528    -12.62080212
  H     13.61353049     13.71967310     -6.19538939
  H     14.16470206     15.56988988    -11.77350293
  O     13.57625805      8.92126247     -8.52964677
  H     13.23242569     13.53264144     -7.68377647
  H     12.90339214      7.69059637     -9.62165159
  O     13.93971720     10.89228619    -10.37554913
  H     12.19562384     12.27361626    -15.01169720
  H     12.28737562      6.31903419     -9.98015502
  O     12.00271546     10.73195517     -7.22539847
  H     10.89644771     11.64925383    -15.55651148
  H     17.39011686     10.47686629    -11.63037976
  O     16.27567272     13.42638797    -10.84686146
  H     11.32155237      9.41752795    -12.42306334
  H     18.33595587     11.15673005    -12.65073444
  O     11.32738290     11.63788655     -9.80913380
  H     11.84787223      8.07834064    -11.79322679
  H     11.39881462     11.74889329    -12.71520371
  O     12.80881022     12.75673855    -13.29789825
  H     13.74704061      9.52004114     -9.27574382
  H     10.05534850     11.13897751    -13.19100851
  O     17.06277630      9.13145320    -10.62403371
  H     12.99476251      9.41530944     -7.93242923
  H     15.06978195     12.40769474     -7.86314655
  O     15.15910260      7.46259529    -11.75192161
  H     14.57164476     11.39751602     -9.84778551
  H     15.99958545     11.19367145     -8.17462403
  O     13.95661910     14.66789713    -11.54213361
  H     14.26770125     10.86380596    -11.28152459
  H     15.77933894     11.03223267    -12.90592641
  O     12.61615625      7.12983247    -10.36088010
  H     11.54990733     11.01183970     -8.03407482
  H     14.63952014     10.09170514    -13.44204512
  O     17.48002483     11.23401080    -12.23915900
  H     12.53834951     11.48973133     -6.96212492
  H      8.34760093     10.95289692    -15.18626470
  O     10.67390466     11.16231872    -12.45147222
  H     16.75791554     12.76895018    -11.36168693
  H      9.55782177     10.00122537    -15.01980439
  O     15.71022577     12.05589946     -8.49647126
  H     16.21253517     13.06282141     -9.95268942
  H     16.54723433      8.81803512     -7.12833010
  O     14.82665985     10.94647862    -13.03139886
  H     10.85093859     11.49370209    -10.63517191
  H     15.29600907      9.06923991     -8.00169851
  O      9.24602489     10.91222642    -14.87118349
  H     12.24742017     11.39851165    -10.00554556
  H     12.97144965     14.34374995     -9.94945493
  O     16.21966765      9.33537904     -7.85966455
  H     13.08021936     13.49765509    -12.74465124
  H     11.93250733     13.34166157     -9.40221884
  O     12.49928797     14.08416491     -9.14985098
  H     13.55091221     12.13199461    -13.27844342
  H     11.18539378      8.62776143    -15.71914713
  O     10.40995755      8.47177536    -15.16583538
  H     16.88219466      9.15816396     -9.67973838
  H     10.75226285      8.30895812    -14.27586664
          69
 Energy    -250.56274393856816     
  O     -3.59171069      1.45918438      0.90356185
  H     -3.94141357      2.29558488      0.60783944
  H      2.43325473     -1.63507452      2.37339559
  O     -2.64140590     -1.73070659      7.33102333
  H     -2.64483262      1.45494418      0.67631802
  H     -0.88887603     -1.04306998      2.39318430
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  H      1.56871910     -3.84441565      2.41638899
  O     -5.79140938     -3.13495249      4.85126109
  H     -3.97936139     -0.80541685      3.03361244
  H     -3.83764694     -3.08540043      2.24586434
  O     -0.95826868      1.34310258      0.27177168
  H      2.37669339     -1.74705235      4.54323610
  H     -5.04383496     -2.77382563      3.18298661
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  H      1.31382141     -3.43539753     -0.05762012
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  H     -4.26618538     -3.99360364      5.64860127
  H      1.77578400     -3.74484108     -1.49963567
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  H     -3.22626935     -3.46176515      6.64556152
  H     -0.85795681     -0.56077639      4.47788608
  O     -0.79682073     -1.75847022      1.75464750
  H     -0.89368057     -2.80229171      5.08376802
  H     -1.99916138      0.19479006      3.72923977
  O     -2.33221598     -4.00284809      1.85207132
  H      0.36161650     -2.02269099      5.56236560
  H     -1.41317539     -1.44727492     -1.38975762
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  H     -6.70139909     -3.29563954      5.08580452
  H      0.05534453     -1.82265630     -1.08784411
  O     -4.53514044     -2.44125974      2.43388464
  H     -5.54756448     -2.27251078      5.23493301
  H     -3.55509554     -1.87559935     -1.27474394
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  H     -3.43302329     -2.24920599     -2.77127267
  O     -1.03879223      0.12673719      3.82164921
  H     -0.74018446      0.59902485     -0.30555961
  H     -4.09713287     -0.99002086      6.37457169
  O     -0.59791630     -1.11914823     -0.98576301
  H      0.43291856     -4.78788787      4.17270094
  H     -4.48700083     -0.30553213      5.03913044
  O     -2.96381691     -2.26954215     -1.94175975
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  H     -2.04517602     -4.52950524      4.99476670
  O     -4.84565503     -0.77776109      5.80202141
  H     -0.74253535     -4.30416496     -0.88593274
  H     -1.69222518     -4.42490923      3.48070651
  O     -1.30916314     -4.46757393      4.36813217
  H     -2.17333746     -3.86204156     -1.22715754
  H     -4.22427947     -0.20819003      0.22748689
  O     -4.45909953     -1.10549501     -0.03656794
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  H     -4.61807444     -1.59853451      0.77922633
          69
 Energy    -250.56191037997547     
  O      2.03269326     -0.60535151      4.48328897
  H      2.09589408      0.35569017      4.54268977
  H     -2.60001332     -0.95975747      4.58813993
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  H      1.37827382     -0.83190499      3.80771752
  H      0.13947025      0.75364547     -0.08940236
  O     -2.40393284     -3.38228713      7.33709533
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  H      0.15351801      1.16814359      1.40231077
  O     -0.72072572     -0.28674837      9.87242282
  H      2.75218387      2.05489167      5.83830317
  H     -2.04697983      1.43365453      5.02190009
  O      1.90132957     -4.64210992      5.97473074
  H     -1.46794051     -3.44977683      7.57556388
  H     -2.25406357      1.83802421      3.54586525
  O      0.01834774     -1.45927576      2.76103726
  H     -2.73303401     -2.59822583      7.78962962
  H     -2.86173811      0.00433637      2.54549220
  O      0.14946717     -3.99508659      4.03099736
  H      0.00183512     -0.91000604     10.01566891
  H     -2.00722163      0.74002413      1.49703072
  O      3.57929930     -2.33068895      6.06014133
  H     -0.32357700      0.46725291      9.41732746
  H     -0.84386280      3.03212234      5.49404938
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  H      1.29928156     -4.43355465      5.23679003
  H     -0.34763536      4.33981186      6.14766084
  O      3.42297070     -0.97353149      8.44246755
  H      2.21074627     -5.53263429      5.83421521
  H     -0.25550165      2.18727085      3.29225627
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  H      1.27809531      2.28229229      3.35746353
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  H     -0.87850145     -1.42281034      3.12305747
  H      0.27962238     -1.66956751      7.01030368
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  H      0.90658379     -0.80202534      5.87306932
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  H     -3.21854194     -4.80765885      4.65432179
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  H     -2.58557873     -3.84080953      5.68462519
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  H      3.10679034     -3.16912972      6.00349475
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  H      2.31844896      1.73972229      7.95174028
  H      0.16304317      2.18539520      7.52864651
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  H     -3.79087270     -0.76136565      9.25551750
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  H      3.50552163     -0.04917908      8.19037297
  H      0.92525688     -3.82753525      7.30708858
  O     -3.07688272     -0.90706889      8.64064719
  H      1.95935909     -2.38046248     10.81285399
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  H      2.24154720     -1.63835507      9.48426648
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  O     -2.29114507      0.01591821      6.09980120
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  H     -1.37969248     -0.29876155      6.21204095
          69
 Energy    -250.56068969122080     
  O     13.65713708      9.45021739    -16.92583109
  H     13.12955197     10.24504475    -16.72705146
  H     17.16701774      9.84475385    -10.21112136
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  O     12.97796977     12.65497630     -7.19240090
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  H     16.82631740      6.90123847    -12.80070086
  O     12.03552109     11.53741685    -16.29194569
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  H     12.77930253     15.50876941    -11.75824259
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  H     13.77682373     12.52759696     -7.73527088
  H     12.51613701     14.22940605    -10.93583674
  O     14.05845989      8.13118724     -8.14116463
  H     13.25568002     13.09045114     -6.39116915
  H     14.04811527      7.83839131     -9.95158071
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  H     11.15910172     11.15172453    -16.16884123
  H     14.86373331      7.70514488    -11.28712240
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  H     12.19688192     12.08136259    -15.51020514
  H     17.40702635     11.47069539    -11.88205047
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  H     18.16767865     12.57459117    -12.65675553
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  H     15.78792008     11.73938942    -13.19350936
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  H     11.61577704     10.20320667     -8.67578203
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  H      8.82782770      9.84869591    -16.03354469
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  H     16.23425966     13.56770442    -11.37080430
  H     16.04173011     10.66739805     -8.53304341
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  H     12.12366834     10.87404664    -10.53936979
  H     15.68012276      9.18306377     -8.35252100
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  H     10.76334112     10.74409054    -11.23467864
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  H     12.03822046     13.38280600     -8.71800776
  O     11.65693101     13.52878438     -9.59114210
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  H     12.19809374      8.30683075    -16.28424331
  O     11.44075176      7.95361574    -15.80197054
  H     17.17452384      9.13744562    -11.58726276
  H     11.73112713      7.86884043    -14.88308516
          69
 Energy    -250.56041929660330     
  O     10.54364441      9.94646802    -11.06291627
  H      9.80945069      9.73900779    -10.49116771
  H     13.21220824     14.52204994    -15.48166487
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  H     15.58489160     11.09412813    -12.78363831
  H     18.29076955     12.27261878    -16.94384651
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  H     13.57394668     14.16803021     -9.67515221
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  H     12.96066308     11.61689679     -9.61213531
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  H      9.51323653     10.77775871    -17.90110138
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  H     15.12691037      7.89457801    -12.79840107
          69
 Energy    -250.55936282991496     
  O      0.63328552     -0.23917949      5.31355163
  H      0.55984547      0.72189112      5.16647588
  H     -2.34584302      4.36498352      0.21320325
  O      1.97144381     -1.36137355     -2.61024611
  H      1.11794387     -0.35402081      6.12728392
  H     -2.38231845      0.88004470      5.45136960
  O     -0.36140512     -0.48205960     -1.26683627
  H      2.59637291     -1.06624577     -1.92427576
  H     -1.31721378     -0.24841097      5.34832607
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  H      2.40761332     -1.24764512     -3.45008277
  H      0.40526957      1.84729998      1.58368150
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  H     -0.74965183     -1.31937367     -0.97405178
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  O     -3.74908105      2.98147275      3.10390283
  H      0.35747394     -0.70908072     -1.86977335
  H     -3.07904344      0.92967403     -0.58472960
  O     -3.87239886     -3.49930059      2.83481447
  H      1.97837264     -3.48800832     -0.21108439
  H     -1.67278036      0.84921167     -1.21453214
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  H      1.61556311     -2.99316015     -1.62204126
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  H     -2.11753238      0.11885139      3.38849361
  O     -5.69743905      0.92070224      2.72696515
  H      3.65779505     -3.46796577      1.77109576
  H     -0.35105169     -3.34792799     -0.58245057
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  H      0.43065569     -2.06659679      2.75500088
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  H     -4.23387468     -4.37004122      2.97623190
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  H     -2.98556101      2.86607836      4.64939237
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  H     -3.00894534      3.29024105      6.13702933
  O     -1.87436475      0.13034641      2.45342470
  H     -0.68550392      2.63613868      5.18166264
  H      1.21165498     -0.25012180      1.55057167
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  H      2.83107909     -0.07467302     -0.01034904
  H      0.62794252      0.10612625      0.14632972
  O      1.26070976     -1.58586757      2.89574334
  H      3.54613965     -1.42303193      0.09705638
  H     -1.46638651     -1.58974095      2.39515526
  O     -2.56662042      2.71744103      5.51682691
  H     -6.63900200      0.97160237      2.86693353
  H     -2.07081908     -2.98122872      2.70538022
  O      1.21524114      0.41655821      0.85128240
  H     -5.36978358      0.18874423      3.28091581
  H     -3.09292479     -2.94167992     -0.16514833
  O     -1.25674736     -2.53680602      2.44140920
  H     -3.86256486     -0.84604993      4.69530889
  H     -4.07495989     -1.83091893      0.26750623
  O     -3.96362352     -2.79114670      0.22606625
  H     -4.42896207     -1.94758729      3.76767138
  H     -3.24525561      0.01719892      1.26987796
  O     -4.01848785     -0.02593923      0.68609415
  H     -2.31267651      2.83011468      0.02081822
  H     -4.75107391      0.31064009      1.21472139
          69
 Energy    -250.55877550163183     
  O     12.42400365     10.97888616    -15.29278825
  H     12.73239047     10.21478906    -15.80147224
  H     14.28893678      5.69053899    -15.74034277
  O     15.78344965      6.57306119    -13.13142821
  H     13.13490390     11.62622225    -15.33775011
  H     19.64100873      7.42307868    -13.96040019
  O     17.23151100     10.38793331    -11.28708441
  H     16.55017115      6.83639105    -12.60659482
  H     20.85363843      7.17427185    -13.03427493
  O     18.05148579     10.01056283    -15.41786684
  H     15.01271918      6.72881328    -12.56805519
  H     17.00510506     12.09291556    -17.97466665
  O     12.47936135      6.25206456    -15.77676822
  H     16.72560133     10.33102900    -10.46422009
  H     16.32343295     10.76793065    -17.56490075
  O     15.41859989      9.89138176     -9.25656292
  H     16.61928270     10.74185652    -11.94735251
  H     15.72081435      8.06153746    -14.15799149
  O     13.80282206      7.25756462    -11.29675800
  H     18.52212376     10.34956491    -14.64124994
  H     16.49869210      9.17247553    -14.94670133
  O     15.26814698     11.11965009    -13.10777779
  H     17.74036462     10.74004804    -15.96069537
  H     11.63148623     10.38361678    -13.86516884
  O     16.98870124      6.60973049    -17.44381941
  H     12.23156083      6.55808141    -14.88543259
  H     10.33665620     10.35223482    -13.01949001
  O     15.91756426      7.03522467     -9.42293263
  H     11.75436355      5.72143579    -16.09534361
  H     12.44021740      7.07143638    -12.57857497
  O     18.97452592      7.42952896    -15.56521145
  H     14.62458075     10.00373496     -9.79585170
  H     11.56336334      8.13315559    -13.27080109
  O     15.23878035      5.53542079    -15.67495929
  H     15.52202719      8.94044042     -9.13310591
  H     19.74346798      9.53496855    -13.00354627
  O     19.98264187      7.56112425    -13.05826174
  H     14.39254773      7.05670803    -10.56030454
  H     18.76568793     10.53672389    -12.35643102
  O     16.59182776     11.64759089    -17.23940991
  H     13.69222218      8.22041489    -11.30039258
  H     17.55322286      8.59797128    -11.41542572
  O     15.62681047      8.89736078    -14.63147012
  H     15.11385450     11.81490248    -13.75479068
  H     18.55990450      7.52247191    -11.90531925
  O     11.21879540      9.99437393    -13.07332571
  H     15.33610673     10.29769045    -13.62028593
  H     16.31439059      8.35842468    -17.89623861
  O     11.85469099      7.21521738    -13.33266490
  H     17.13951533      5.96585962    -18.13146332
  H     14.95197415      9.03623483    -17.68195932
  O     19.40054644     10.43354620    -13.07858826
  H     16.34517584      6.21156211    -16.83063526
  H     14.06247962     10.47900543    -11.90970137
  O     17.72794118      7.64495097    -11.43070574
  H     16.24769693      6.42164667     -8.77150374
  H     12.58491014     10.06609659    -11.78992817
  O     15.83575828      9.18221957    -18.04782996
  H     16.63083582      7.16664100    -10.06983901
  H     14.72353316     13.64765326    -15.54557296
  O     13.43340702     10.02325739    -11.33182930
  H     18.37981787      7.00709363    -16.19381460
  H     15.38451798     12.35034669    -16.05679041
  O     14.76284180     12.70477730    -15.40183151
  H     18.75649204      8.37225087    -15.61832011
  H     13.14172721      7.89707890    -16.36268655
  O     13.58149115      8.74775535    -16.47496462
  H     15.47973911      5.74049440    -14.76142751
  H     14.29506936      8.77779094    -15.81621735
          69
 Energy    -250.55687139085191     
  O     11.55600894     10.31968230    -12.19162107
  H     12.47165868     10.56141076    -11.96773189
  H     17.53951245      6.08978429    -15.48039313
  O     13.93051129      5.19248728    -15.80658627
  H     11.00738452     11.05661447    -11.93349580
  H     13.74404773      3.01172417    -12.91617498
  O     15.73223888     12.01446994    -13.59134743
  H     13.85553741      4.61240344    -15.03946331
  H     14.82483972      4.10315171    -13.08381406
  O     14.51863916      7.84991098     -9.25874902
  H     14.86294003      5.44364170    -15.85019561
  H     12.04784455      7.27125262    -11.22118232
  O     15.56556010     10.52558613     -9.23887001
  H     15.17496316     11.63811430    -12.89644221
  H     11.73742020      8.75193307    -11.00413426
  O     12.24778924      9.72004683    -14.90867325
  H     15.32134182     11.75680911    -14.42467283
  H     19.67608099      4.25422531    -12.19401775
  O     18.31507193     11.60020027    -12.92354046
  H     14.81567948      8.75758302     -9.12942919
  H     18.30586134      4.81378224    -12.63259851
  O     14.21339100     10.64935712    -11.67548030
  H     13.62161554      7.89748403     -9.62087072
  H     14.22644948     11.33843922    -16.74277164
  O     16.17978898      6.66269859    -11.02087987
  H     16.45088192     10.40813768     -9.62879384
  H     13.61875666     10.54520645    -15.56083724
  O     19.27673054      6.45990302    -15.02299117
  H     15.67644394     11.07075075     -8.46484320
  H     11.17342496      6.68098955    -16.05428103
  O     16.48292658      4.78848663    -12.96476065
  H     11.91933947      9.86931584    -14.01417476
  H     12.64414114      6.37237384    -15.69417826
  O     16.57266506      6.06976402    -15.45090062
  H     12.11261443      8.78645866    -15.11160834
  H     15.41612039      8.52722685    -14.25461773
  O     13.88706562      3.89948151    -13.23444241
  H     17.39626442     11.79174428    -13.18594719
  H     15.49072565      9.46210593    -15.49000798
  O     12.01414660      7.95510535    -10.53884718
  H     18.81520024     12.39929568    -13.06493198
  H     12.88883931      5.46414675    -12.85672406
  O     19.23579850      5.04912357    -12.48491491
  H     14.61640885     10.68293350    -10.79892642
  H     12.10301143      6.51759823    -13.67851933
  O     14.43970539     10.94604049    -15.90078504
  H     14.37053867      9.75931628    -12.02746916
  H     18.62170837      8.13122899    -12.37419144
  O     11.88953289      6.95141400    -15.48483131
  H     17.04490406      7.09254933    -11.02029990
  H     19.06237944      6.81057863    -11.70640511
  O     15.91651510      8.70965056    -15.06597704
  H     15.64390340      7.00312965    -10.28746549
  H     15.21384955      7.66978949    -12.13508876
  O     12.45155888      6.32278270    -12.79903916
  H     19.17702940      7.37965932    -14.74215172
  H     13.82056103      7.58432115    -12.79404900
  O     18.71239022      7.68850322    -11.51593396
  H     19.45421169      5.95908917    -14.21841143
  H     18.32480212      9.33237740    -10.65574519
  O     14.61974841      8.12294301    -12.74885027
  H     16.49359804      5.26658723    -13.80808264
  H     18.11050992     10.74134628    -11.24321737
  O     17.95563471     10.20182325    -10.45778356
  H     16.32271534      5.42547544    -12.24863697
  H     18.54806972      9.90977926    -13.68302865
  O     18.45842124      8.99026532    -13.96198346
  H     16.29113223      6.99611098    -15.42257250
  H     17.58874539      8.92161767    -14.38136098
          69
 Energy    -250.55648418435962     
  O     -5.95003972      1.46162455      0.78404536
  H     -5.37659835      2.03175741      0.25001097
  H     -1.35322065      0.55165744      3.60749912
  O     -6.39338119      0.55112192     -3.40677211
  H     -6.68855930      1.19044796      0.22672374
  H     -1.25277108      4.71961361     -0.70539253
  O     -4.75289559      2.19728112      3.22388637
  H     -6.96483211      0.57867402     -2.62991039
  H     -0.14733770      5.39979467     -1.54029317
  O     -0.07282501     -1.61645378      1.72431297
  H     -6.00293788     -0.33189721     -3.41026468
  H     -3.33737101      2.43188546     -0.24479352
  O     -2.28433301     -1.26520604      0.03167305
  H     -5.28750100      2.03440304      2.43571263
  H     -4.14046251      2.63461998     -1.55004519
  O     -4.90231245     -1.91331761     -3.12404832
  H     -4.59384781      1.32913991      3.61142874
  H      0.37435227      1.53441182     -1.83661201
  O     -4.68416940     -0.96427917      1.34257627
  H      0.57329039     -2.30733811      1.84425142
  H      0.24133569      2.92093889     -1.13783891
  O     -2.51746330     -0.60783028     -2.62923345
  H      0.42317708     -0.78485245      1.61536109
  H     -5.84502924     -2.05695007     -1.46786781
  O     -3.96726579      1.79956114     -3.14823076
  H     -1.55558865     -1.50952794      0.61639250
  H     -5.78887941     -1.80665522      0.06142699
  O      1.13678851      0.80795774      1.48691284
  H     -3.11153225     -1.27091930      0.53647507
  H     -1.48229343      2.93342495      3.09173268
  O     -0.19240124      0.78430679     -3.47569655
  H     -4.02900135     -1.50344662     -3.01524889
  H     -1.37676411      1.92519018      1.94154952
  O     -1.57603240     -0.36430270      3.82684875
  H     -4.79738002     -2.61075436     -3.76695455
  H     -3.27145238     -0.49549765      4.04231312
  O     -0.58117614      4.56319422     -1.39228278
  H     -4.58405582     -0.95328152      2.30239512
  H     -4.48976313     -0.91501022      4.90204632
  O     -4.09724058      2.90400002     -0.62346400
  H     -5.08822524     -0.11508162      1.10932728
  H     -2.10185838      0.52584006      0.23626767
  O      0.47723472      1.99349229     -0.99378168
  H     -1.67604376     -0.25846287     -2.94575030
  H     -1.12091134      1.65398841     -0.17896594
  O     -6.39088758     -1.97196013     -0.67616184
  H     -2.38955660     -0.88664187     -1.70982553
  H     -3.23749274      4.38929502      0.04626001
  O     -0.98454819      2.16317622      2.79638954
  H     -4.86911480      1.50793210     -3.34456183
  H     -2.60514413      4.76398941      1.39737110
  O     -4.24555367     -0.51441507      4.07250741
  H     -3.47188082      0.99949901     -2.92784004
  H     -7.42321114     -0.56532487     -0.83511026
  O     -1.94909347      1.47731710      0.28693870
  H      1.09469005      1.21739424      0.61263146
  H     -8.79545469      0.15201956     -0.85422412
  O     -2.54269157      4.92940502      0.44990488
  H      0.60909677      1.37461227      2.06578493
  H     -3.58490551      3.49729847      3.22135722
  O     -7.85766429      0.30056591     -0.94185066
  H     -0.65295113      1.62648999     -3.65136921
  H     -3.12073700      4.80428511      3.90146018
  O     -2.89411463      4.18460164      3.21312227
  H      0.37333131      0.61651527     -4.22469345
  H     -2.47307127      2.81445531     -3.58737165
  O     -1.55343197      3.09792316     -3.69048124
  H     -1.06884395     -0.90961124      3.21582856
  H     -1.34973150      3.68386052     -2.95215129
          69
 Energy    -250.55617892541272     
  O     10.06740571     11.09788476    -11.49906242
  H      9.15897273     11.09310149    -11.20934070
  H     16.74018434      9.25629879    -11.98637407
  O     14.73785148      9.44088373    -17.36287060
  H     10.55683642     11.65637566    -10.86835241
  H     15.44968605      7.48176001    -12.16255911
  O     15.11114435      9.49067784    -14.64954570
  H     14.75780922     10.39548769    -17.50970106
  H     16.67048684      6.83721127    -12.86221681
  O     13.63544454     11.04352476     -8.70717325
  H     13.80899842      9.18930264    -17.43805234
  H     13.22853453     14.11809200    -11.77352984
  O     14.45137092     12.31571432    -17.42852431
  H     15.14713006      9.31291400    -15.60244035
  H     12.95351144     15.51822325    -11.17559355
  O     12.39702934      9.09495764    -14.41022825
  H     15.55158456      8.78660455    -14.16029793
  H     14.32829505      7.61392030    -10.05822219
  O     14.43983781      8.42131275     -8.34166175
  H     13.80528080     11.02167046     -9.66320235
  H     13.32779999      7.73597753    -11.21455799
  O     14.09525357     10.84692968    -11.42000090
  H     14.37293805     11.52837625     -8.31281698
  H     17.04380010     11.85854926    -12.13660807
  O     15.78494005     13.82584057    -10.10755707
  H     14.52187670     12.92610247    -18.15761722
  H     16.54918175     12.73784605    -13.29423972
  O     12.04335268      9.04152576    -11.68239654
  H     13.50245383     12.22229911    -17.23056763
  H     11.60538097     10.74331512    -14.21924921
  O     13.38027505     13.00999926    -13.10837673
  H     13.35125688      9.25687455    -14.46166562
  H     10.68228026     11.50543610    -13.24348727
  O     16.78789086     10.11643136    -11.55598102
  H     12.19650171      8.89734280    -13.48639825
  H     15.97820486     12.88945738     -8.70190282
  O     16.16024136      7.64084313    -12.80963222
  H     14.11266547      8.03958133     -7.53069738
  H     16.34361506     12.84367732     -7.19889948
  O     13.14108891     14.61311675    -10.93951211
  H     14.04840200      9.30803203     -8.40994267
  H     15.19787349     12.39540070    -15.70897766
  O     14.17473859      7.34071333    -10.97120236
  H     15.02969603     10.61915064    -11.51280059
  H     15.38365191     11.28596434    -14.65083823
  O     16.91829097     12.77981293    -12.40498407
  H     13.92034698     11.62674715    -11.95898440
  H     11.73932192     10.88759319    -17.04515788
  O     11.18854006     11.60306962    -14.05962855
  H     14.91467357     14.16137837    -10.34568184
  H     11.48760434     11.92904922    -15.93846259
  O     16.00069258     12.31477117     -7.91330369
  H     16.21307925     13.53932265    -10.92834715
  H     16.72974071     10.64809513     -8.46979119
  O     15.41918800     12.24552694    -14.78221582
  H     12.79968556      9.64609221    -11.59161178
  H     16.19762694      9.20854263     -8.59916263
  O     11.83902380     11.82445010    -16.83096814
  H     11.26075352      9.58326894    -11.53231633
  H     12.01249672     13.34940567    -10.08479792
  O     16.93504740      9.78052089     -8.84278434
  H     14.10869267     12.85301682    -13.72500290
  H     12.13700800     12.07370857     -9.22937344
  O     11.51576463     12.58757984     -9.76113235
  H     12.58797045     12.60021884    -13.47993411
  H     11.30584372      8.27975452    -17.36320259
  O     11.89710188      8.97833682    -17.09534808
  H     16.94970993      9.96638561    -10.61177597
  H     11.99598106      8.90793276    -16.12987751
          69
 Energy    -250.55549325635695     
  O     20.07921014     10.53699898    -18.27188655
  H     20.67845875      9.96421556    -18.74277458
  H     17.76734096     13.73423364    -19.89777749
  O     17.78515184     17.06336573    -16.74564277
  H     20.36142137     11.45135950    -18.45382290
  H     16.48611289     12.37725889    -11.61705500
  O     21.87812175     14.76700794    -16.67192589
  H     17.93672102     16.10708514    -16.68670915
  H     15.59210420     13.22635832    -12.54256969
  O     16.00114316     14.72869911    -13.61516937
  H     17.34965903     17.31671985    -15.91905181
  H     20.23401140     16.97084337    -14.82911538
  O     16.48952583     11.06142762    -15.97896458
  H     21.38795414     15.55876166    -16.38483549
  H     19.62876682     17.11593044    -16.22755998
  O     18.36875387     12.20782844    -11.17758050
  H     22.80241871     15.00135700    -16.66151525
  H     19.27374745     13.97500663    -13.64638821
  O     15.66531946     10.07482448    -13.49221629
  H     15.77899424     14.38370143    -14.49222596
  H     18.65911038     13.66903349    -12.24912204
  O     20.76381264     13.11583214    -18.72719879
  H     16.94658427     14.58000340    -13.47089678
  H     18.88870469     10.27668173    -13.82464996
  O     16.81118269     17.41712198    -14.20543495
  H     16.10555768     11.94814485    -16.03721954
  H     17.54686935      9.97343776    -13.12747049
  O     20.15473367     13.31293132    -15.01154720
  H     16.12353712     10.64685780    -15.18840052
  H     15.30766343     13.86988283    -19.27497685
  O     17.23759485     10.67625118    -18.65414467
  H     18.48233706     11.45618527    -11.78729558
  H     15.46632291     15.34832142    -18.89743748
  O     18.42534068     14.36229348    -19.56921986
  H     18.70700658     11.92939264    -10.33106574
  H     16.68792413     17.51076650    -19.74946464
  O     15.63601869     12.38287959    -12.07315761
  H     15.56564455     10.90345827    -12.98904365
  H     17.15413009     16.96276311    -18.38158359
  O     20.44774267     16.89415558    -15.76720664
  H     14.96074368      9.49626728    -13.21417324
  H     19.21791937     16.04910886    -12.94241622
  O     18.73930921     14.34889559    -12.92933811
  H     21.17893557     13.72238768    -18.10316725
  H     19.76963476     17.31740677    -12.25085779
  O     18.47824566     10.16568310    -12.95795961
  H     20.05698572     13.60782960    -19.16758467
  H     19.60485991     10.57794920    -16.48295102
  O     14.94262313     14.56114980    -18.70812497
  H     17.65912425     17.41180172    -13.74512499
  H     18.28994943     10.93148476    -15.74053060
  O     16.86315655     16.70346628    -19.27329884
  H     16.36701831     16.59811052    -13.94975750
  H     18.39177950     14.19010219    -17.68735330
  O     19.44975368     16.98287021    -13.08487715
  H     19.97628297     12.38736036    -15.23182567
  H     18.92276274     13.97811086    -16.22082159
  O     19.24233872     10.79861871    -15.61620838
  H     20.89769288     13.64188844    -15.53106862
  H     16.04387560     12.23648456    -21.10536588
  O     18.20639942     14.34178880    -16.75222216
  H     16.89449349     10.70721462    -17.75085373
  H     16.62837962     11.87604089    -19.71891676
  O     16.35928003     12.61772988    -20.29063294
  H     18.19216760     10.56097103    -18.58148349
  H     16.57411104     13.90536069    -16.33928599
  O     15.64238197     13.68348235    -16.17996489
  H     17.99533775     15.22704252    -19.57720111
  H     15.18102646     13.97738396    -16.97669890
          69
 Energy    -250.55534967336229     
  O     13.92335325      9.33546718    -10.85691550
  H     13.75851924      9.83682180    -11.66638332
  H     17.98816746      5.01560217    -10.85856224
  O     14.04625455     10.04166388    -16.82989061
  H     13.24963160      8.64222350    -10.78697529
  H     12.25837161      6.75566611    -11.60237123
  O     16.50085945     11.23643102    -13.16038662
  H     13.80199380      9.28464881    -16.28298088
  H     12.65625598      6.59119840    -10.12082751
  O     12.79039333      5.84218574    -13.24058144
  H     13.62943143     10.81053160    -16.42083281
  H     19.25041124      8.80507576    -14.25250419
  O     15.89524047      6.99226545     -8.37472442
  H     16.83619217     11.15725184    -12.25580575
  H     20.73142370      8.41185119    -14.06253104
  O     15.89932492     12.89050140    -15.35966932
  H     15.58648616     10.92555891    -13.16745362
  H     14.16034145     12.66245820    -15.34892460
  O     15.98410173      7.71775250    -11.93257005
  H     13.57402437      5.52291960    -12.76249326
  H     12.68176974     13.11275971    -15.45580735
  O     13.79512158     10.42078886    -13.36065130
  H     12.35199452      5.06914736    -13.58896648
  H     13.22197479      7.33123199    -14.35164455
  O     18.59861641      8.21614329    -11.23888342
  H     15.86010515      7.95387439     -8.44208423
  H     14.58702770      7.81724240    -14.88437691
  O     17.47880743     10.73942159    -10.64002314
  H     16.77288406      6.72040617     -8.67003421
  H     16.80775185     10.85953546    -18.16879208
  O     18.26554497      5.78426731    -14.12432094
  H     16.24887467     12.33245935    -16.06500545
  H     15.71894776     10.47860023    -17.13943638
  O     17.73071765      4.56093015    -11.66838220
  H     16.21388623     12.49551017    -14.53422068
  H     13.55845332      4.89418304     -8.36739846
  O     12.23560226      7.19726472    -10.74514959
  H     16.01328835      7.74788419    -12.89897412
  H     14.53380676      6.02227047     -8.78106118
  O     19.84774639      8.21697891    -13.76054257
  H     15.29375835      8.31070250    -11.61252684
  H     15.37116178      6.04214293    -11.69163296
  O     13.23763386     12.35045585    -15.32204582
  H     13.70268531      9.59503763    -13.85794687
  H     14.55541223      5.12127538    -10.75098088
  O     13.64689998      8.05432079    -14.82587294
  H     13.47672367     11.12883516    -13.93303791
  H     18.61662357      6.96087848     -9.99909892
  O     16.62836581     10.81448103    -17.23345711
  H     17.67796203      8.02721678    -11.48590546
  H     19.24761072      6.09684495     -8.88230867
  O     13.79282338      5.46918394     -9.09036747
  H     19.11718959      8.21162844    -12.05211269
  H     16.91559868      6.81641011    -14.57811370
  O     14.94421905      5.17224710    -11.63397561
  H     16.88004482     10.51848950     -9.91711543
  H     16.84159269      8.33748900    -14.89059748
  O     18.44696263      6.22581688     -9.38497251
  H     18.01802164      9.94914938    -10.77533152
  H     15.12275321     10.36008729     -8.08524339
  O     16.30453052      7.56160739    -14.68840340
  H     18.94943019      6.44775107    -13.98355471
  H     14.90651431      9.69561121     -9.46548633
  O     15.54582691      9.80907726     -8.73937289
  H     18.16024692      5.30742702    -13.28794041
  H     17.63523856     10.13330850    -15.84095483
  O     17.95104252      9.79868257    -14.99215437
  H     16.76528383      4.54810005    -11.66363234
  H     17.51055437     10.32182772    -14.30398491
          69
 Energy    -250.55478816189128     
  O     18.19552513      8.67759537    -10.03118103
  H     18.21051347      9.01384926     -9.12715901
  H     18.64386427     11.96928264    -10.23798260
  O     14.79945229      8.97180432     -9.46746252
  H     17.63507006      9.25193674    -10.56772176
  H     18.05806332      8.77233863     -6.91845472
  O     19.94008880      3.71903643    -12.69997303
  H     15.07063399      8.18072856     -8.97696172
  H     17.48361132     10.13148466     -7.46294248
  O     21.82783897      6.92115295    -10.95693396
  H     15.16762980      9.72866111     -9.00116280
  H     19.79496566      8.91487165    -12.53154077
  O     19.99393718      6.62725162    -15.04484348
  H     19.20172528      3.99174108    -13.25782373
  H     19.63731014      8.88325253    -11.00334317
  O     22.24637924      7.67957272     -8.28644786
  H     20.70235816      4.22420595    -13.01024064
  H     22.97134623      5.35592395    -13.56820815
  O     15.75700731      6.70253128     -8.22347165
  H     22.11156228      7.13383106    -10.05896468
  H     22.07598920      6.02534822    -12.50437257
  O     19.99801238      6.01707147     -7.62901682
  H     21.34655094      7.69769706    -11.27906232
  H     17.32130138      5.41574121    -13.88719590
  O     17.87006298      7.04760666     -6.31337087
  H     20.75396877      6.30703269    -14.54420261
  H     17.28056517      4.29574539    -14.94813765
  O     17.46972783      6.06053524    -10.35729490
  H     19.31707533      5.94320889    -14.95906526
  H     16.06157819      9.76260069    -12.20138079
  O     16.12029208     11.19117391     -8.15588971
  H     21.80432107      8.54563484     -8.22236203
  H     17.48938130      9.79846137    -12.80354342
  O     17.68260877     12.02974619    -10.20656283
  H     23.01972967      7.72441637     -7.73035297
  H     20.03856073      9.94194112     -7.76085469
  O     18.27882063      9.58898655     -7.38638887
  H     16.39078375      6.77799320     -7.50100484
  H     20.85678500     10.64391095     -8.86594498
  O     20.27840449      9.07008081    -11.70949188
  H     16.24611846      6.29134124     -8.94912781
  H     14.61462042      8.70221653    -11.14162825
  O     22.06306617      5.55533677    -13.35381473
  H     19.93397921      5.46132426     -8.41620808
  H     13.70796764      8.75075911    -12.39563971
  O     17.87319410      4.79807943    -14.39401537
  H     20.77969877      6.56608351     -7.76125119
  H     19.05980979      7.99031851    -14.33220628
  O     16.92062585     10.19826764    -12.13253018
  H     17.84885390      6.67621730     -5.43552178
  H     17.82312738      7.89007665    -13.42230268
  O     20.92994360     10.03032147     -8.12643278
  H     18.62607702      6.63796408     -6.77233912
  H     21.11689890     12.15079449    -10.96321138
  O     14.60522207      8.59914910    -12.11226004
  H     18.28420974      5.54601358    -10.29943591
  H     20.51398148     10.73037475    -11.03681132
  O     18.48809067      8.51180558    -13.74982856
  H     17.72032847      6.98288517    -10.18766550
  H     15.78275377      7.23589256    -12.68844964
  O     20.52202583     11.55183318    -10.51805059
  H     16.66608537     11.56769042     -8.87026715
  H     16.83776082      6.35775407    -11.97004847
  O     16.53819172      6.65709296    -12.84340709
  H     15.64677480     11.91764692     -7.75939862
  H     20.59246635      5.58841535    -10.44996493
  O     19.97522457      4.88391698    -10.21246155
  H     17.36433723     11.54587406    -10.98281688
  H     19.92298470      4.31034156    -10.99079606
          69
 Energy    -250.55370157861358     
  O     -6.70293505      2.30619770      0.63491790
  H     -5.86198643      2.76782163      0.76203960
  H     -4.92385463     -1.96098126      2.99138832
  O     -4.81186542      3.70097835     -3.38766393
  H     -7.00018935      2.05813547      1.52010824
  H      0.48298471     -0.23281609      4.28947816
  O     -7.12877930      1.45033018      3.26934910
  H     -4.82742002      4.27726259     -4.14729283
  H     -0.23089926     -0.39638882      2.92906418
  O     -2.55476971     -3.05565208      1.02515512
  H     -4.74324578      2.78941514     -3.72613459
  H     -0.49584522      1.99148803      3.39228144
  O     -3.84189599     -1.13025581     -0.39254186
  H     -7.82315374      1.55355398      3.91463739
  H     -0.60638920      2.80023131      2.09384867
  O     -4.62384098      1.07798522     -4.06410381
  H     -6.30324745      1.73818153      3.69956419
  H     -3.88649175      2.41498705      1.25029328
  O     -6.44696689     -0.29371439     -0.40524773
  H     -3.05130366     -2.43613062      0.46216091
  H     -3.86740049      3.83587094      1.84370665
  O     -2.55313980      0.51819303     -2.20352167
  H     -2.63434660     -3.91731659      0.62379993
  H     -1.62387394      1.66162728      0.79434744
  O     -2.93011036      3.20299641     -1.37002867
  H     -3.41421017     -0.61977127     -1.09308364
  H     -1.43913705      2.73179792     -0.30184221
  O     -0.33569009     -1.33858049      1.45418524
  H     -4.78418337     -0.91128107     -0.40791175
  H     -7.29402255      1.18915556     -2.75989595
  O      0.03060368      0.05957927     -1.06227256
  H     -5.43596783      0.64742992     -3.76896646
  H     -7.95633237      0.04700830     -3.57069214
  O     -4.06887828     -2.24843231      3.34815742
  H     -3.90079719      0.71525641     -3.53635098
  H     -3.35941757     -0.79202909      3.98580216
  O     -0.21548996      0.12782466      3.74938194
  H     -6.51262717      0.60620572     -0.05452285
  H     -2.04438001      0.04438565      4.17602148
  O     -0.70102101      2.87107152      3.05255624
  H     -6.76105054     -0.25567547     -1.31639817
  H     -6.67732888     -0.34010149      2.71568597
  O     -4.18146163      3.32690506      1.08776834
  H     -1.64343747      0.28113094     -1.98750478
  H     -6.53594063     -1.04469703      1.36167843
  O     -0.95112543      2.18866243      0.33054416
  H     -2.68407027      1.42800208     -1.89775684
  H     -3.39050883      0.10992213      0.92101984
  O     -7.18320639      0.26702241     -3.05794680
  H     -3.41590839      3.34452869     -0.54351341
  H     -3.10882170      0.57510387      2.38771229
  O     -3.00628460      0.09722804      4.15344346
  H     -3.50941663      3.50360304     -2.08078227
  H     -2.17889124      3.77373642      3.38302353
  O     -6.40862648     -1.17261389      2.30882058
  H     -1.04326829     -1.98887220      1.35727505
  H     -2.81795820      5.07537168      3.91594084
  O     -3.10551559      0.85360172      1.46334666
  H     -0.17309571     -0.98493837      0.57316948
  H     -7.14258730      2.75499903     -1.13097492
  O     -3.02013218      4.25518553      3.47386823
  H     -0.17910980      0.86571726     -0.55824537
  H     -6.45567761      3.25136587     -2.43293331
  O     -7.23652837      2.79906682     -2.09240048
  H      0.90314330      0.18285691     -1.42875722
  H     -4.18434835      1.43435998      4.45642478
  O     -4.79309847      2.18654890      4.41247470
  H     -3.57882689     -2.64077622      2.61820681
  H     -4.25150416      2.94804825      4.17964547
          69
 Energy    -250.55319450570619     
  O     15.50633449     12.12780616    -12.18724221
  H     16.22649292     11.58994591    -11.83315527
  H     13.35927872      6.35696270    -15.89777877
  O     17.51271976      9.43025686     -7.14367707
  H     15.00938788     12.43385305    -11.41941315
  H     11.35523040     10.82934949     -9.98381481
  O     16.31826406      5.98056729    -11.15093463
  H     16.79488427      9.91808512     -7.57900795
  H     11.81416449     11.21509608    -11.40420489
  O     18.72375810      6.19755045     -9.83892052
  H     17.70811805      9.89760984     -6.33498951
  H     15.61156353      8.64302391    -14.17582868
  O     17.08033412      6.61360763     -7.51209815
  H     15.75369299      6.09611633    -10.37319746
  H     14.79139814      9.74100769    -14.88466753
  O     17.19570990     10.36116648    -10.81124255
  H     15.77113097      5.57581002    -11.83977616
  H     18.74612117      9.14485171     -8.60908922
  O     14.07908871     12.76607800     -9.78674171
  H     19.32502242      5.48935207    -10.05581968
  H     19.10953331      8.05675463     -9.63753931
  O     10.42777773      7.47779491    -11.20169186
  H     17.92761793      6.06036118    -10.37903207
  H     15.47967951      6.30725314     -8.27567761
  O     15.47747384     10.65265374     -8.56876413
  H     17.21501526      7.54402183     -7.29383309
  H     14.26936714      7.15497785     -8.73445230
  O     13.71021616      8.56072392    -11.58661374
  H     17.73848427      6.40473377     -8.18647130
  H     11.66286646      9.67556519    -13.47439038
  O     12.76795675      6.02224184    -10.87502482
  H     18.00405360      9.96595590    -10.45353459
  H     12.75978521     10.78795022    -13.62155867
  O     13.24912364      6.80274546    -15.06135623
  H     16.58491750     10.43780457    -10.06666325
  H     11.75074556      7.54440727    -14.35842926
  O     11.78570717     11.52825173    -10.48954305
  H     13.23329004     12.33509966    -10.00792897
  H     10.26856079      7.86595201    -14.64464424
  O     15.02550146      8.80711186    -14.92945630
  H     13.87088759     13.65631119     -9.51606229
  H     10.54515048      8.63490197     -9.88575438
  O     19.16018444      9.00630576     -9.47039873
  H     10.51760779      7.67545847    -12.13983034
  H      9.92623641      9.18733359     -8.58252741
  O     14.70409279      6.29981615     -8.85556308
  H     11.10144621      6.80721243    -11.01665866
  H     13.73850955      5.23323832    -12.26837715
  O     12.11967367     10.39136762    -13.01553240
  H     14.77591606      9.98425002     -8.57774212
  H     14.08108974      5.65400853    -13.70009153
  O     10.97571188      8.02316491    -14.02286695
  H     15.06693216     11.47045075     -8.87624912
  H     14.72364242     11.74771033    -13.67115134
  O     10.69156655      9.25248296     -9.14737957
  H     14.59579372      8.54086496    -11.96975681
  H     14.31849828     12.22994146    -15.08430847
  O     14.41074093      5.13667131    -12.95804974
  H     13.19139505      9.21735723    -12.06493962
  H     13.60105727      8.78872431     -9.84144854
  O     14.22942186     11.50211682    -14.47522071
  H     13.06572134      6.88218847    -11.21598635
  H     12.52311691      8.94490795     -8.75481239
  O     13.46975966      8.81427626     -8.87907193
  H     13.29511905      5.87076369    -10.08038676
  H     16.70259592      9.08573794    -11.97010843
  O     16.32370238      8.39766563    -12.53428845
  H     13.89799316      7.53070498    -15.04664441
  H     16.43759168      7.55138796    -12.08221318
          69
 Energy    -250.55284725430360     
  O     -4.19704010     -1.09580079     -0.42783824
  H     -4.16876232     -0.33386808      0.16435771
  H     -0.69343615     -2.25845152     -1.22962707
  O      2.06249859      1.88297504     -0.99415659
  H     -4.49326666     -1.83135842      0.12487924
  H     -2.05030001      0.41225586     -2.33362306
  O      1.95338860     -2.99013381      0.49392416
  H      2.50789298      2.68505493     -1.25332804
  H     -3.39164637     -0.32158332     -2.12180305
  O     -0.54915660      0.86641357     -1.34075814
  H      2.48922807      1.15621888     -1.48300155
  H      3.53986757     -0.94447779     -1.97060527
  O      1.85662142     -1.38806706      2.78793869
  H      2.02293499     -2.47066073      1.30452494
  H      2.49145876     -0.53342054     -3.02107374
  O      2.56458435     -3.85647680     -3.19293198
  H      2.76661746     -2.87546593     -0.01501127
  H     -4.11728510     -1.96667940      2.78048422
  O     -1.56690333     -4.03467557     -3.63692122
  H      0.27079308      1.37351843     -1.32958124
  H     -2.74679198     -1.42202165      3.22427137
  O     -1.97228278     -4.02694729      1.38590189
  H     -0.28327636     -0.06735331     -1.29328887
  H     -3.71429019     -3.65574130      1.45907453
  O      1.10888028     -1.53649150     -3.79726630
  H      2.38023227     -1.31653807      3.58117488
  H     -5.22387620     -3.98145562      1.50520893
  O     -4.09392542      0.88842788      1.62645232
  H      1.79790585     -0.49325900      2.40528480
  H      0.87823037     -4.49318432      0.34185113
  O     -2.32499982     -3.03184865     -1.18290868
  H      2.09423278     -3.11367113     -3.59578193
  H      0.24426328     -5.36733152     -0.75787555
  O      0.13728778     -1.76534830     -1.22871362
  H      1.89193637     -4.51914646     -2.99426622
  H     -0.29654722     -5.07096138     -3.05668737
  O     -2.76503382     -0.04653574     -2.79817231
  H     -1.96102032     -3.75779546     -2.79631948
  H      0.32023340     -6.48682370     -3.02359059
  O      3.12177714     -0.17810157     -2.37946419
  H     -1.53464501     -3.23553834     -4.17381646
  H      3.58992475     -3.16196926     -1.99727204
  O     -3.69536215     -1.24100421      3.25844158
  H     -1.58335534     -3.24069078      1.79662067
  H      4.97877134     -2.97514661     -1.33901839
  O     -4.60281685     -3.25897137      1.45926801
  H     -1.24058322     -4.56463568      1.04480661
  H      1.76415141      1.33961626      0.80724696
  O      0.18586823     -5.14871075      0.17955181
  H      0.31010692     -1.42995448     -4.32434741
  H      0.50639013      1.11180222      1.66902533
  O      0.40166718     -5.61347287     -2.64845396
  H      0.79501307     -1.66959107     -2.88771050
  H     -1.92420403     -1.14393634     -5.66308080
  O      4.07444034     -2.67593082     -1.30333775
  H     -4.73510557      1.51635062      1.94744558
  H     -2.01008707     -0.93724313     -4.13691025
  O      1.47048380      1.03726746      1.67499753
  H     -4.01877250      0.18697487      2.29900799
  H     -2.24934583      1.01956884      1.42339117
  O     -1.53391694     -1.41690726     -4.83681552
  H     -2.93964308     -2.30325614     -1.03129304
  H     -1.13198591      0.88546531      0.35044084
  O     -1.31268277      0.82922297      1.30022128
  H     -2.19851211     -3.47263374     -0.33269910
  H     -0.04329518     -1.68975907      2.74688428
  O     -0.97463411     -1.67309921      2.50088930
  H      0.73997554     -2.18463919     -0.60314685
  H     -1.10216063     -0.84773215      2.01035479
          69
 Energy    -250.55258286613702     
  O     16.61012299     10.44871690    -11.14086586
  H     15.95819231      9.93011249    -11.63257948
  H     13.16786613     10.00915122     -9.35402209
  O     15.39282272      5.31833648     -6.68249098
  H     17.48311306     10.11209024    -11.38689719
  H     12.49907979      9.26205802     -5.67301213
  O     16.48502234     13.04380528    -10.36987162
  H     15.59996125      4.59624323     -6.09662462
  H     13.23281560      9.40512129     -7.02593107
  O     12.96545764      6.40816477     -7.73548017
  H     15.54326418      6.14227336     -6.18207880
  H     16.42612628      5.72496032    -12.39863668
  O     14.99513938      8.73774742    -12.57114653
  H     16.48433588     12.12985141    -10.70575398
  H     17.30793915      4.77905754    -13.24131899
  O     19.01152386      9.26910742    -11.78284051
  H     16.24691851     13.60704822    -11.10141259
  H     16.09596515      5.91483310     -8.27134008
  O     20.61667690     10.67480643     -9.95995854
  H     12.92733301      7.21495057     -7.20777928
  H     16.17465219      7.32138883     -8.94152741
  O     18.65433619      6.78345128    -10.53845324
  H     13.71910296      5.91156506     -7.39522908
  H     17.42049998      7.34597729    -13.70234915
  O     12.36121388      6.43602844    -10.37866746
  H     15.72243720      8.67265979    -13.20795742
  H     18.04096161      8.71111169    -13.37610047
  O     15.24460338     12.45543262     -7.88139608
  H     14.94372927      7.86801712    -12.15248820
  H     16.66336337     12.21320796     -6.90317878
  O     12.69395583      9.24674070    -10.93276305
  H     18.91548613      8.41549025    -11.33507586
  H     17.53813380     12.65647282     -5.70539035
  O     13.62328631     10.22664052     -8.52911954
  H     19.66037338      9.77502305    -11.27796281
  H     16.36512395      9.57982388     -9.56137071
  O     13.14291822      8.84247993     -6.23793430
  H     21.48902727     11.05865028     -9.98113617
  H     16.67262590      9.21485912     -8.06148751
  O     17.30261211      5.62857702    -12.80683478
  H     20.01899937     11.35263232     -9.59628752
  H     18.13649163     12.78563660     -9.46620175
  O     16.35176594      6.37680660     -9.07732609
  H     17.91403367      6.61183014     -9.93702124
  H     18.53196744     12.36461597     -8.04160901
  O     17.37114581      8.28413974    -13.92531101
  H     18.42466866      6.30640291    -11.34472345
  H     16.42603481      8.26499330     -5.78819236
  O     17.52255285     12.07796462     -6.46318438
  H     12.56031551      6.41596318     -9.42527939
  H     14.87480748      8.20100643     -5.67425126
  O     16.06816988      9.06380432     -8.80076217
  H     11.53092283      5.98145685    -10.49426035
  H     15.43302630      6.17022003    -10.58010000
  O     18.87888175     12.47225894     -8.93543689
  H     15.56805361     12.76350787     -8.73784369
  H     14.01386432      6.12923966    -11.18489769
  O     15.68793973      7.71268278     -5.49671071
  H     14.57542774     11.78652503     -8.07351690
  H     20.09624182      9.20836802     -8.86377382
  O     14.94968152      6.14138188    -11.42049036
  H     12.47981364      8.32104331    -10.76207084
  H     19.49137061      7.80411563     -9.02944772
  O     19.69275673      8.48076431     -8.37401626
  H     13.37652232      9.22881465    -11.61480026
  H     17.77837024     10.24145903     -6.48469650
  O     17.73151781      9.28646973     -6.61838553
  H     14.48641535      9.78572980     -8.58872545
  H     18.50204228      9.00162946     -7.13380120
          69
 Energy    -250.55253924755948     
  O     13.34307409      1.63895905    -15.58463869
  H     12.86495379      0.84699468    -15.34937382
  H     15.67829126      4.65016466    -15.90250059
  O     19.01760404      9.02471517    -15.67734106
  H     14.08807304      1.70694390    -14.96573031
  H     17.28070076      6.04205986    -18.47224282
  O     13.84213213      3.87515540    -12.17769732
  H     18.15496426      9.44446079    -15.57077037
  H     18.66265335      6.74450486    -18.53331368
  O     14.72870313      4.06220253    -19.96744431
  H     19.03277292      8.28413370    -15.05694756
  H     14.90644867      2.72686837    -13.17818402
  O     18.38952004      4.88786917    -11.97395521
  H     14.48109792      4.60539967    -12.08363723
  H     15.75126071      2.87480092    -14.47772014
  O     16.36712235      9.01531700    -18.21813024
  H     13.39179773      3.79510184    -11.34162579
  H     17.93496420      4.30769101    -19.48555993
  O     14.50504741      6.01135618    -16.00979087
  H     14.53568337      3.34673198    -19.33616023
  H     16.64027785      3.67783839    -20.03256292
  O     18.96523090      4.82570225    -16.06278301
  H     14.14624284      3.93329783    -20.71149789
  H     18.68220226      6.18541596    -13.30016406
  O     17.18034265      1.98656597    -17.53493209
  H     18.91010752      4.75706980    -11.18558667
  H     18.86578058      6.06750613    -14.82666045
  O     18.19914274      2.49273026    -13.26257106
  H     18.35219872      4.02815517    -12.42880811
  H     16.93099507      7.23400440    -14.23050938
  O     16.28173670      9.91524268    -15.65999747
  H     17.30748010      8.91734968    -18.41094094
  H     16.00229592      8.40591097    -14.63119341
  O     16.32038110      3.94306666    -15.76302414
  H     15.96179681      8.16370745    -18.42965755
  H     12.77535567      3.46006189    -15.14056430
  O     18.23588072      5.87961556    -18.49359817
  H     14.93555771      6.56849401    -15.34680227
  H     12.99348397      4.24729961    -13.84103195
  O     15.42158847      2.23026680    -13.82846751
  H     13.78152582      5.52383289    -15.58970587
  H     13.96700454      1.90319296    -17.35811785
  O     17.55736042      3.47793724    -19.80729944
  H     18.79519419      5.12515663    -16.96843613
  H     15.33681273      1.75184067    -18.03969948
  O     18.67672677      6.69969927    -14.11595282
  H     19.28007023      3.91490351    -16.08211893
  H     20.04348333      1.40133101    -16.11758151
  O     16.00762959      7.52586224    -14.23424487
  H     16.77166626      2.66118426    -16.96972817
  H     18.61648475      1.86371685    -16.49204132
  O     12.72359830      4.34600401    -14.76314763
  H     17.39772435      2.42189677    -18.37454533
  H     15.06052497      6.27180272    -17.66753649
  O     14.42042464      2.00946870    -18.20233113
  H     18.63302420      2.27430727    -14.09524328
  H     15.15722029      5.64202072    -19.08462826
  O     19.35736395      2.02018174    -15.88132880
  H     17.27574487      2.22662325    -13.36004725
  H     16.59894884      5.50940925    -11.93502394
  O     15.48880156      6.36049930    -18.53261631
  H     15.89203077     10.78433535    -15.62413903
  H     15.69400902      6.49561821    -12.70987305
  O     15.68766852      5.81379113    -12.02558215
  H     16.23239320      9.62242538    -16.58801667
  H     19.21786413      8.68609377    -17.38025015
  O     19.19856946      8.50237153    -18.33673718
  H     17.20096589      4.33746964    -15.74482617
  H     19.90667367      9.00592794    -18.72865901
          69
 Energy    -250.55241393312730     
  O     21.49265187      7.78295425    -12.24026226
  H     20.88197703      8.35527866    -11.74165037
  H     19.96188340      4.07271539    -12.54160273
  O     15.67329054      8.94549242     -9.91089394
  H     22.36451419      8.15204916    -12.12698347
  H     16.29882679      8.92193864    -15.16327524
  O     13.45677602     10.68423955    -13.67924038
  H     14.97824675      9.59456784    -10.09398113
  H     16.23395351      9.47901721    -13.72048342
  O     17.59546842      7.97486978    -16.01474630
  H     15.30683478      8.09056711    -10.17763155
  H     18.54075924      6.83260145    -13.29289015
  O     11.92137850      8.28955243    -13.35330336
  H     13.33635552     11.50113690    -14.15731632
  H     17.16262411      6.13448197    -13.18912518
  O     18.31473217      6.03793592    -10.07180556
  H     14.24246896     10.25680844    -14.05896782
  H     14.86746701      6.19842961    -13.95230260
  O     14.31615500      6.70340116    -10.88681613
  H     18.42452940      7.93274896    -15.52018972
  H     14.83942523      7.75292325    -13.98253183
  O     20.67616383      5.16255208    -11.30816089
  H     17.47242545      7.08311436    -16.35629681
  H     18.06915136      8.70591949     -7.76079340
  O     16.03188112      4.48663442    -10.45306847
  H     12.26811862      9.17106800    -13.54000373
  H     17.20554981      8.72388497     -9.04225192
  O     16.83294411      2.91733307    -12.49148433
  H     12.64988342      7.68801896    -13.56469329
  H     19.93131576      4.20996319    -14.75637437
  O     19.88349510      7.24266080    -14.46214228
  H     18.28382892      6.83464034     -9.53051002
  H     20.95155916      4.24912880    -15.92380267
  O     19.53112762      3.57976772    -13.25680528
  H     18.13377330      6.30567325    -10.98742112
  H     13.51651744     10.57339980    -11.73152092
  O     15.70026115      9.31650246    -14.51338333
  H     14.38124997      6.78568513    -11.84959319
  H     12.86957336      9.68639857    -10.65247102
  O     17.77329293      6.71219370    -12.71767321
  H     13.43986853      7.03476730    -10.65384117
  H     18.92725869      9.53016268    -11.48199450
  O     14.36541377      6.97281569    -13.66528691
  H     19.94112663      5.38671735    -10.72090897
  H     19.31904120      9.10249508    -10.06991756
  O     18.08911741      8.51236836     -8.69440602
  H     21.04705863      6.00603595    -11.59057824
  H     16.59932369      4.92080473    -15.08475095
  O     20.14945178      4.64977471    -15.60132252
  H     16.83163468      4.94176354    -10.15454861
  H     16.32845986      4.16223851    -13.73917673
  O     13.52118558     10.38707082    -10.78505528
  H     15.35655340      5.17103283    -10.54003544
  H     17.50075475      4.70619509    -17.48300727
  O     19.69381445      9.32966552    -10.92882400
  H     16.56597735      2.01570080    -12.33505000
  H     18.52340112      4.92366639    -16.34421965
  O     16.13117703      4.96337225    -14.24208482
  H     16.52684517      3.43615036    -11.72486088
  H     10.95434851      7.89812207    -10.30923403
  O     17.61350464      5.11078758    -16.62616016
  H     20.12566148      6.39451218    -14.85440400
  H     11.74750452      8.10719423    -11.62201255
  O     11.82995967      8.05264385    -10.65245383
  H     20.54058624      7.45562986    -13.78599606
  H     16.64065032      9.34311773    -11.43118924
  O     17.19254169      9.34728715    -12.22387890
  H     18.66213068      3.31522767    -12.93855536
  H     17.37930193      8.41487015    -12.42058933
          69
 Energy    -250.55240284554148     
  O     17.79736804      4.12250162    -10.82100523
  H     16.95335062      3.66415657    -10.90063062
  H     16.51831357      8.23753853    -15.48267359
  O     17.96569552      9.25463118    -14.91954820
  H     17.75266490      4.68265386    -10.03616001
  H     11.70547334      5.83594792    -12.81964954
  O     13.31867577      8.30383514    -11.88583671
  H     18.43791649      8.69071372    -14.28087084
  H     13.05082240      5.12726386    -12.60529456
  O     10.86612705      6.03016203    -14.40042934
  H     18.63086649      9.73756377    -15.40265314
  H     14.97493977      7.47435735    -11.83596554
  O     16.05740488     10.59847638    -13.23819285
  H     13.40663843      8.60708536    -10.97295436
  H     15.25588936      6.19830711    -11.02196398
  O     17.97490403      7.89786793    -10.60529203
  H     12.89864050      7.43202512    -11.89480378
  H     19.68159411      4.17154624    -13.35244184
  O     19.19351308      7.67102848    -13.10002826
  H     11.31572625      5.35537782    -14.92370823
  H     18.63150761      4.55814064    -12.28333265
  O     12.61832313      4.22043998    -15.85315587
  H     11.01723774      6.86285291    -14.86492974
  H     14.85624924      9.61045314     -9.72479584
  O     17.73386915      5.91746579     -8.58629871
  H     16.75046640     10.22174083    -13.79341479
  H     13.65476440      9.88560720     -8.78641793
  O     11.62330063      8.39578385    -15.85261278
  H     15.22565361     10.36060927    -13.66274385
  H     14.68671739      6.14088894     -8.70213233
  O     13.53257632      6.54287812    -16.88910072
  H     18.11672684      7.32422969     -9.84465624
  H     14.83754646      7.66217313     -8.52478008
  O     15.75448165      7.65044956    -15.54904685
  H     17.16517767      7.56027866    -11.02067449
  H     13.57451441      8.97381911    -13.50030611
  O     12.39543324      5.68005099    -12.15829168
  H     18.90074905      7.84680509    -12.19491750
  H     14.44938111      8.69184730    -14.76897961
  O     15.64950639      6.80618681    -11.65935664
  H     19.24247072      6.71125252    -13.17205202
  H     16.99382578      9.51689953    -10.45014674
  O     19.00242683      4.80857503    -13.14915508
  H     12.34656473      3.63912056    -16.55832664
  H     16.19914404     10.39521390    -11.44604253
  O     14.05435383      9.21438275     -9.33302279
  H     12.99343161      5.01554534    -16.27427626
  H     17.32383237      5.20446776    -13.83168036
  O     15.19927801      6.81652286     -8.23510801
  H     16.84158343      6.26125781     -8.40025221
  H     16.19716127      5.99690122    -13.12198425
  O     13.76609186      9.27265518    -14.40317896
  H     18.15476508      5.78127674     -7.74161658
  H     14.40784466      4.20097375    -10.29797930
  O     16.26907523     10.15067649    -10.51131368
  H     11.11100906      9.10705614    -16.22802928
  H     13.30470519      5.24949035    -10.60220824
  O     16.41473566      5.50898717    -13.93331342
  H     12.33398889      8.80795588    -15.33178290
  H     15.07475536      1.90048180    -11.20998001
  O     14.05069022      5.05292947    -10.01861282
  H     14.36228343      6.92515905    -16.57456192
  H     14.85280180      3.13077104    -12.11986021
  O     15.23263907      2.83933849    -11.27347092
  H     12.84771673      7.19338732    -16.68828632
  H     13.64365037      3.92318718    -14.35428105
  O     14.19449528      3.95879201    -13.56204271
  H     15.98990544      6.85449686    -15.05150914
  H     14.98858536      4.46610031    -13.79065662
          69
 Energy    -250.55198026135815     
  O     11.21594545     11.56151287    -13.68716077
  H     11.88625569     12.19370488    -13.40318412
  H     18.61570524      8.51538438    -15.56108655
  O     15.64634425      6.96558056    -13.49592512
  H     11.07507824     10.94757602    -12.95527252
  H     13.64421867     11.79068835    -15.93905423
  O     17.43723841     10.52652349    -11.50920848
  H     15.02991027      6.85407759    -12.75999376
  H     15.14894777     12.09949705    -15.84603388
  O     16.65221615     10.96496270    -15.71774904
  H     16.50865324      7.18425203    -13.11666738
  H     15.52746635     10.01423823    -14.64732852
  O     12.41940510      7.48170119    -16.00013224
  H     17.55417822     10.31280845    -10.57444598
  H     15.13868950      8.66994912    -13.93865988
  O     15.04436744      8.72449262     -8.39065818
  H     16.52897447     10.84516414    -11.61322459
  H     11.09005306      8.73962023    -12.31328150
  O     13.87926823      6.91388748    -11.37846835
  H     16.90911754     10.20945222    -16.26444403
  H      9.95891812      9.30490387    -11.42187116
  O     14.80409585     11.26025748    -11.95189158
  H     17.39070426     11.16665320    -15.12894526
  H     18.00819925      7.11815726    -10.74943044
  O     17.30259213      8.55916133    -16.97619562
  H     11.74277260      7.22551474    -16.62240964
  H     17.89696281      7.83119372     -9.39466491
  O     15.38647373      5.98309126     -9.20204763
  H     12.41032124      8.45406298    -15.96321131
  H     12.00458060      7.30907284    -14.09619621
  O     15.24460505      6.96630464    -16.22135916
  H     15.07020845      7.76896626     -8.52219188
  H     12.45014084      7.01821373    -12.63508775
  O     19.19586849      8.60947609    -14.79566421
  H     14.35615480      9.05538070     -8.98400987
  H     19.35740867     11.98889484    -13.67067012
  O     14.27415382     12.49929754    -15.75506292
  H     13.71193138      7.81629238    -11.07128354
  H     18.32231465     11.07906928    -12.97264008
  O     14.87749646      9.58908816    -14.07100817
  H     14.32426985      6.46100672    -10.65140257
  H     18.52849479      8.00702441    -13.23816663
  O     10.82995327      9.49817796    -11.75911318
  H     14.39277703     12.07198730    -12.27199749
  H     17.77029215      8.77562730    -12.12258878
  O     17.84303972      6.96201094     -9.80918974
  H     14.78332586     10.63521500    -12.69617423
  H     16.62932587      9.39420980     -8.64189068
  O     11.73045475      7.37036763    -13.17483684
  H     17.57148955      8.32744389    -17.86128441
  H     17.90092148     10.03736750     -8.03980804
  O     18.72169434     11.29586569    -13.83139470
  H     16.55680044      7.97487969    -16.75035758
  H     12.39944987      9.56505789    -10.76882636
  O     18.01106970      7.89113433    -12.42828978
  H     15.45505449      5.17036780     -8.70874307
  H     13.81911822     10.17913396    -10.89409830
  O     17.54167733      9.67151233     -8.84366172
  H     16.29474767      6.24988978     -9.43270210
  H     13.79078368     13.11049676    -14.17837334
  O     13.30222711      9.50359347    -10.43289720
  H     14.29111062      7.09962483    -16.26452058
  H     13.37662024     14.27990410    -13.25543883
  O     13.48849113     13.33338432    -13.27936707
  H     15.43197189      6.77632991    -15.29009565
  H     13.38885486      9.93953745    -15.02477898
  O     12.62419051     10.16212779    -15.57915347
  H     19.18313945      9.54617926    -14.56320428
  H     12.00011966     10.62831646    -15.00282390
          69
 Energy    -250.55171060400551     
  O     16.55236435     15.42240417    -15.27703951
  H     16.06687862     16.13174285    -15.69058740
  H     19.79060555      9.50404602    -11.13212598
  O     21.44630463     10.97775699    -16.39981869
  H     17.35961292     15.28925384    -15.80605340
  H     19.29779611     16.36958141    -11.62911256
  O     19.87806460     12.47786831    -10.05652005
  H     22.27517845     10.95852707    -16.87130699
  H     20.80159202     16.69205712    -11.55138456
  O     21.43584932      9.05653072    -12.06521887
  H     21.58934845     11.51678094    -15.60219077
  H     22.04107758     10.77566213    -11.65746417
  O     16.63637193      9.68602728    -12.12640103
  H     19.12692776     12.76339291    -10.59941828
  H     21.34387431     11.98573292    -10.99811699
  O     18.88388075     12.14762247    -16.65066148
  H     20.17047346     13.25575227     -9.56763705
  H     17.14993015      9.75292693    -15.22791695
  O     20.72719329     15.10775942    -14.40949092
  H     21.11236517      8.98697918    -12.98048787
  H     17.24862553      9.35735324    -13.71558923
  O     20.84427372     14.92047346     -9.04073285
  H     21.81649496      8.20955661    -11.84697850
  H     19.61493777     15.11613104    -15.93102102
  O     21.43085754     12.43303975    -14.07674976
  H     16.13441610     10.49643033    -11.99405652
  H     18.92064745     14.01919405    -16.76548578
  O     15.26244275     12.24169240    -12.03869955
  H     17.40999259      9.72676980    -11.54262269
  H     22.67484939     15.66073990    -12.01861516
  O     16.39397522     10.98134421    -16.55971257
  H     19.73257617     11.71159768    -16.79278661
  H     23.14788360     16.99846685    -12.63716108
  O     19.00501953      9.84867548    -10.69245738
  H     18.77140332     12.18582113    -15.68586496
  H     17.62289833     15.64041783    -13.73159320
  O     20.00521436     16.59763556    -11.01336082
  H     21.34126181     15.64333873    -13.89165056
  H     19.13705932     15.39366456    -13.52490919
  O     22.12980370     11.72489997    -11.50331010
  H     21.03058633     14.19299081    -14.32692305
  H     22.35774235     14.52384429    -10.15602291
  O     17.73102808      9.37584608    -14.55965134
  H     20.47272732     15.54427578     -9.68992090
  H     22.86461512     13.42401697    -11.10873902
  O     18.89306772     14.96175697    -16.55528558
  H     20.81852900     15.35626669     -8.19331448
  H     20.79913676      9.48836106    -15.29516502
  O     22.40231233     16.40696914    -12.58318936
  H     21.83009318     12.23457232    -13.22058199
  H     19.50718540      8.93992476    -14.64283638
  O     18.31040005     15.58668120    -13.05756193
  H     20.49216699     12.20016701    -13.98482417
  H     18.39390678     12.32480705    -13.13501511
  O     22.95961921     14.36050811    -10.89360151
  H     15.24069372     12.45557688    -12.98926387
  H     18.43917849     11.00638800    -13.97183212
  O     20.47391081      8.90461053    -14.60225952
  H     14.37360369     12.34486525    -11.71043126
  H     15.75479052     13.74070839    -14.90402260
  O     18.77154869     11.91149213    -13.91947087
  H     16.01044816     10.72271459    -17.39426055
  H     15.65858948     12.24934522    -15.32068482
  O     15.37049401     12.88965773    -14.66008355
  H     17.25754669     11.37998865    -16.75899325
  H     16.88543914     12.98904013    -11.68489779
  O     17.81322566     13.25718616    -11.67210422
  H     19.27669824     10.68729905    -10.29980627
  H     17.89701886     14.12380095    -12.09365175
          69
 Energy    -250.55098551276478     
  O     13.70365169      7.12212211     -7.96894494
  H     12.89040824      6.85848332     -8.43538457
  H     14.99381807      7.90086454    -12.95131508
  O     13.48776113      4.70951588    -15.75207320
  H     13.50177773      7.11168223     -7.03714638
  H     13.59510608      6.27744768    -12.13183684
  O     16.62862082      6.42380120    -14.84012957
  H     14.00914159      5.31894763    -16.28865266
  H     12.86494985      6.90144666    -13.36050360
  O     10.02983853      6.13407372    -12.68956341
  H     14.09874301      4.33610825    -15.10375461
  H     11.39344633      5.59643470     -9.86198315
  O     17.94196410      4.41711502    -10.21366975
  H     16.43435484      7.15973192    -14.23907887
  H     11.00662887      7.08734520     -9.82026908
  O     11.21052554      4.20329868    -11.21079794
  H     16.14849655      6.60125199    -15.65604234
  H     18.22150031      5.82093376    -14.10277007
  O     16.90440177      7.96949544    -10.55562718
  H     10.51251526      6.32095759    -13.50649103
  H     18.61102100      4.56529463    -13.30138484
  O     13.90260298     10.15481347    -13.97227980
  H     10.01918287      6.95356546    -12.17991039
  H     14.37856280      4.34314174    -12.28520582
  O     17.70664301      3.02998520    -12.53348558
  H     18.51417048      5.17098722    -10.40145278
  H     13.03839209      4.31906097    -11.44090867
  O     13.00487979      8.83872162    -16.15691835
  H     17.12886217      4.78994699     -9.84641492
  H     14.25645289      7.62189840    -16.74294137
  O     11.78508764      6.63093740    -14.80516751
  H     10.75041403      4.84295695    -11.78397593
  H     15.06965413      7.06881520    -17.93340643
  O     15.84305262      8.35289469    -13.08225081
  H     10.63126028      3.45197512    -11.11754191
  H     16.16269181      3.61245257    -13.38590382
  O     13.44618743      7.09831816    -12.61550920
  H     17.81129908      7.67947417    -10.71339271
  H     15.82164873      4.93944338    -14.09599745
  O     11.47937993      6.39923386     -9.33618344
  H     16.43185905      7.19244506    -10.22199893
  H     20.28236890      6.97174549    -11.10003020
  O     18.91091524      5.45228878    -13.53415108
  H     14.73708510      9.72775211    -13.73225176
  H     19.24791345      6.33280670    -12.05544109
  O     13.95129672      4.63290972    -11.46660181
  H     13.38739251     10.16354073    -13.15609113
  H     11.06300872      8.89739271    -11.12688704
  O     14.87565684      6.92480263    -17.00990352
  H     17.76336761      3.46251309    -11.66214057
  H      9.58501192      9.05806851    -10.70239775
  O     15.42987522      4.12198143    -13.75529464
  H     18.08839034      2.16216351    -12.43415824
  H     14.98263724      6.14462259     -8.89046808
  O     19.36328180      6.72925975    -11.17334984
  H     13.32267328      9.34114730    -15.38508168
  H     14.99244188      5.29164499    -10.18629180
  O     10.23861283      8.41092343    -10.95442257
  H     12.51576522      9.45371129    -16.69771163
  H     14.30988463      8.68446619     -8.90704230
  O     15.56453872      5.72727026     -9.53692400
  H     12.27341646      5.86936311    -15.15640061
  H     15.47925569      9.08478068     -9.82189304
  O     14.61675952      9.37844265     -9.50413862
  H     12.05641702      7.40251834    -15.31462693
  H     12.92257490      8.61357282    -11.86301627
  O     12.69299079      9.47177449    -11.47132083
  H     16.29049540      8.32581852    -12.22656466
  H     13.33110397      9.60314577    -10.75469966
          69
 Energy    -250.55080445464941     
  O     16.76352195     11.32162847    -11.83568849
  H     16.49838386     11.78613557    -11.03250244
  H     13.35221546      7.71275144    -14.63189467
  O     17.85378167      7.67133401     -7.20967079
  H     17.26166598     10.54992175    -11.53863732
  H     12.65052858     11.70192513     -9.24096831
  O     15.08255667      5.44939986    -11.03296584
  H     18.48584569      7.48006313     -7.91335768
  H     13.08121660     12.12828642    -10.66943843
  O     11.61758578      6.17198830     -9.99539457
  H     17.41359482      8.49414556     -7.46159309
  H     15.37380261      8.20921743    -13.89458024
  O     17.47700561      4.92998947     -9.62109221
  H     14.72417016      5.71028053    -10.17083165
  H     14.95171984      9.54599995    -14.53255487
  O     16.33297423      5.42915130     -7.03708078
  H     14.32333992      5.27867657    -11.60257417
  H     18.71420763      6.16298715     -9.64688843
  O     17.81176511      8.99523975    -10.61990533
  H     12.37069204      6.05024083     -9.40343025
  H     20.21285035      6.54883965     -9.67180790
  O     15.92984807     12.42187323     -9.33556824
  H     11.91706843      5.88220077    -10.86380684
  H     13.98522322      7.10000542     -8.41260328
  O     10.49765924      8.71483177    -10.06002236
  H     16.72246898      4.97300923    -10.22216531
  H     14.75597789      5.83833794     -7.93942545
  O     16.44880674      9.84282272     -8.32381179
  H     17.10323119      4.93823946     -8.73068997
  H     13.71245629     11.55024274    -13.08315662
  O     13.98804704      9.10835553    -11.14599466
  H     16.85473580      6.25164483     -7.01734945
  H     12.40567054     10.81990587    -12.64635945
  O     12.51437756      7.21544431    -14.58396163
  H     16.46019099      5.00172741     -6.19454738
  H     11.73917608      8.48539126    -13.36928681
  O     13.27155279     12.25476103     -9.72934483
  H     18.45686234      8.33581514    -10.33614922
  H     12.36985088      8.91763125    -12.03634455
  O     14.82082642      8.59293655    -14.59140964
  H     17.32243233      9.25853434     -9.82679914
  H     10.89267075     10.69839595     -7.65282277
  O     19.33689076      6.90731502     -9.55946940
  H     16.14061785     13.28931895     -9.00081704
  H     11.12005933      9.85173967     -8.92695986
  O     14.06602284      6.14311589     -8.54082979
  H     14.96088329     12.38760625     -9.43595280
  H     12.29469871      4.48531198    -12.89509389
  O     13.03349198     11.51173162    -12.39759188
  H     10.81012879      7.80382348     -9.95332248
  H     12.63665990      5.94035818    -13.27376603
  O     11.61689410      9.08481813    -12.62595405
  H     10.62537605      8.91842585    -10.99375626
  H     15.64627997     11.99761492    -14.70437902
  O     11.55147321     10.46068243     -8.29912201
  H     16.35961083     10.77549940     -8.55512385
  H     15.86121064     11.36370308    -13.30990774
  O     12.70656320      5.28194067    -12.56604471
  H     15.54753046      9.49228795     -8.27292775
  H     13.89201669      8.93664897     -9.41553253
  O     15.27527338     11.37057787    -14.08922238
  H     14.71229904      8.66345846    -11.60337631
  H     13.09024936      9.39724327     -8.18114441
  O     13.86266711      8.88485855     -8.44512389
  H     13.94766871     10.01833209    -11.46330122
  H     15.81778535      6.85359560    -11.89194909
  O     16.08046232      7.67987684    -12.32054202
  H     12.19928955      7.12375502    -15.47909891
  H     16.75997434      8.09411527    -11.77187630
          69
 Energy    -250.55049248086141     
  O      0.15909527      2.98439516      2.29351354
  H      0.84848188      2.32107579      2.15749325
  H     -0.76751541      7.89785235      2.14528675
  O     -2.79223126      5.42559119      0.51207839
  H     -0.64277559      2.70777845      1.82794705
  H      2.25108882      1.71907653     -1.31586624
  O      3.31841503      6.03731542      1.11960865
  H     -2.68948887      5.89838842      1.34684097
  H      0.82683114      1.18706674     -1.22157842
  O      2.08229037      7.00847752      3.31583144
  H     -2.12605527      5.78683044     -0.09111308
  H     -0.76285150      5.18737974     -2.49899402
  O     -0.73159931      6.25855029     -1.10264204
  H      3.75867842      5.17519795      1.07596441
  H     -1.55679728      4.36919295     -3.55153522
  O      2.76540715      3.48960287     -1.59402603
  H      3.30526852      6.43676339      0.23659592
  H      0.35486860      9.64657482     -1.00021909
  O      1.00699562      4.69416600      0.26692132
  H      2.71274668      7.35037327      3.94435165
  H      0.36031880      8.64784613      0.18246727
  O     -2.16148044      6.78622615      2.87407979
  H      2.59494894      6.67724040      2.55770386
  H     -3.27928572      2.13883552     -3.37920407
  O     -0.72456319      2.09998369     -1.68022605
  H     -0.09721208      5.72139705     -0.59809858
  H     -2.22733417      1.40585103     -2.54175266
  O     -0.14337968      5.29001105      3.83972327
  H     -0.39686826      7.16232778     -1.10170844
  H     -4.04762478      4.81467769     -0.72006291
  O     -2.10633078      2.72422312      0.69829537
  H      2.09966826      3.82301758     -0.97261062
  H     -4.65090905      3.43610106     -1.04508216
  O      0.03894390      8.33339442      1.84576897
  H      2.67462217      4.03648701     -2.38076477
  H     -3.95669409      4.37765644     -4.52004192
  O      1.73366737      0.98634781     -0.95385570
  H      1.75675282      5.19912559      0.60886206
  H     -3.80737357      4.20704492     -2.99068831
  O     -0.67082973      4.52289363     -3.20059094
  H      0.70062387      4.11717785      0.97702921
  H      2.09872976      1.10263789      0.74007150
  O      0.51390906      8.73387075     -0.77665201
  H     -2.71391659      7.08977491      3.58950507
  H      2.63861895      0.49384959      2.05536224
  O     -3.13180826      1.32779614     -2.87836001
  H     -1.47990984      6.21154156      3.26943617
  H      2.17677442      5.46373511     -4.48954011
  O     -4.52909237      4.32502797     -1.40024698
  H     -0.59254065      2.90716707     -2.19325393
  H      1.03864036      5.03277830     -3.54030872
  O     -3.37237890      4.03979794     -3.84647522
  H     -1.14602433      2.35757517     -0.84888372
  H      3.63554605      2.74397227      1.25651597
  O      2.30476238      1.30058857      1.67180432
  H      0.67626145      5.78914892      3.73820092
  H      3.91388971      3.40706629     -0.09727834
  O      1.96035138      5.33759723     -3.56873720
  H     -0.00945373      4.43556911      3.40731072
  H     -5.04969237      0.91343531     -0.31658534
  O      4.15999114      3.43596112      0.83834559
  H     -2.33947768      3.66417674      0.68429632
  H     -4.01218913      1.39830003     -1.35792587
  O     -4.40799760      1.59641164     -0.49010892
  H     -2.90191058      2.24192693      0.44140720
  H      2.54061154      6.56564708     -2.11710742
  O      2.79891781      7.10874379     -1.36437618
  H      0.75356340      7.96720857      2.38182631
  H      2.07580436      7.73271722     -1.22157476
          69
 Energy    -250.55027419257209     
  O     15.19170699     12.45844553     -9.54924865
  H     14.91912487     11.53588410     -9.47425652
  H     13.55164996     14.58167106    -15.27248473
  O     14.18073395     13.36595795    -16.33876611
  H     16.10114150     12.50869324     -9.22690526
  H     12.56747994     12.94046351    -12.57009325
  O     17.41148735      9.18013497    -12.45254188
  H     15.08918465     13.45437692    -16.65332404
  H     12.54017849     14.36705060    -13.12995853
  O     15.89370901     16.31417183    -10.67415802
  H     14.03107628     12.41868941    -16.23358769
  H     20.56690021     14.18825282    -12.83341650
  O     14.24881096     10.59545368    -15.71420655
  H     17.40998568      8.67608744    -13.27833362
  H     19.17601300     14.29080761    -12.16386211
  O     17.05020638      8.20045889    -15.01220093
  H     17.72781282     10.06586593    -12.68571935
  H     14.57083525      9.36842511    -10.36440787
  O     15.75732569     12.83803634    -12.29320338
  H     15.83239024     17.15499415    -10.22957568
  H     14.07278774      9.14451280     -8.91887868
  O     14.63688452      9.06729606    -12.13716697
  H     15.09528035     15.80844693    -10.43274055
  H     17.30125727     13.98714648    -16.35563648
  O     17.01144747     10.96347609    -15.76264747
  H     15.21177466     10.71059338    -15.72640830
  H     17.30833747     13.78306109    -17.89069601
  O     17.84826080     14.89261880    -15.00199424
  H     14.09558687      9.66009679    -15.53885376
  H     13.60586985      7.17141585    -14.67269431
  O     13.59135909     11.40641693    -13.13189287
  H     17.12466241      9.06645002    -15.43579052
  H     14.26488942      8.20744169    -13.73708781
  O     13.25701235     15.27139394    -14.65039125
  H     16.11297409      7.97593316    -15.03912930
  H     16.62253892      9.67138007     -9.48771730
  O     12.34155407     13.85005451    -12.33979532
  H     15.56299661     12.81698472    -11.34788873
  H     17.63498283      9.50861570    -10.63177291
  O     19.64204751     14.00229000    -12.96951523
  H     15.72233732     13.75302930    -12.60174399
  H     18.16062262     13.92584311    -10.12490808
  O     14.67730007      9.66212876     -9.44470796
  H     14.22829200      9.89380553    -12.44000211
  H     17.49644902     15.22819764    -10.65055973
  O     16.93612095     13.44668461    -17.08028235
  H     15.59726076      9.14097640    -12.24935459
  H     17.22267941     12.11805969    -12.91112686
  O     14.17655073      7.93600126    -14.66461853
  H     17.40827348     11.23056587    -14.92132871
  H     18.71596662     12.39284141    -13.20929537
  O     17.54014397      9.84367252     -9.73001524
  H     17.05879400     11.73845618    -16.33612025
  H     13.18826062     14.50515393    -10.86423069
  O     18.28151515     14.67343766    -10.72341423
  H     17.10555607     15.16845416    -14.44621786
  H     14.13624865     13.97001421     -9.76718650
  O     18.03001249     11.72006253    -13.27451192
  H     18.54711781     14.63222459    -14.39151389
  H     18.41589773     12.41921967     -8.15953268
  O     13.76203432     14.78136509    -10.13462988
  H     13.70109168     11.19508717    -14.06836268
  H     17.90623724     11.49953207     -9.29104533
  O     17.93982700     12.42402285     -8.98640390
  H     14.35337511     11.95451380    -12.88547468
  H     15.71735318     15.91067516    -12.47412120
  O     15.70772627     15.44023726    -13.31720340
  H     12.72193869     15.88111263    -15.15137192
  H     14.82924616     15.51160785    -13.71320999
          69
 Energy    -250.55011579153205     
  O     10.78433723     10.59245301    -12.25238485
  H     10.36076863     10.22484793    -13.03839225
  H     15.82037280     13.29398577    -15.02777307
  O     13.90280100      7.77101689    -15.35842164
  H     11.58090211     11.04157186    -12.55986061
  H     15.05127786      8.46328654    -14.12102188
  O     17.10857870     10.21388446    -10.37435096
  H     14.46315492      7.81029478    -16.14303082
  H     15.31210300      9.16983791    -12.74343519
  O     18.00548950      8.24547007    -16.12532538
  H     13.27034224      8.50139930    -15.42444999
  H     10.80182268      9.27100141    -11.10057925
  O     12.26977393      9.98534008    -15.46171923
  H     17.38458700      9.36626521    -10.00226710
  H     10.18906354      8.59726886     -9.84908648
  O     15.78750640      6.17369718    -10.29165365
  H     17.80170389     10.46221100    -10.99648746
  H     18.93859771      7.68918609    -11.12111254
  O     13.31483443      6.12226352    -13.23630794
  H     18.02334542      9.11282186    -15.70326445
  H     18.83132469      7.36528982    -12.62913882
  O     14.57026594     10.04430119    -11.35279793
  H     17.21833583      8.25319922    -16.68437546
  H     11.45386173      6.52593711    -13.12378877
  O     15.53336211      8.39102739    -17.56972814
  H     12.59416934     10.49202211    -14.70185793
  H     10.58809970      7.33153237    -12.13045383
  O     15.83222920      4.83785552    -12.83787992
  H     11.36668367      9.71284102    -15.25947268
  H     20.10287805     10.92749192    -12.11131883
  O     17.49933368     10.60258821    -14.47863672
  H     14.94609214      6.64791439    -10.32836821
  H     19.36019548      9.57560237    -12.22324677
  O     15.48726221     12.40289144    -14.95407518
  H     15.82637797      5.63488134    -11.08998164
  H     16.89353653      7.41310536    -13.56572351
  O     15.73429580      8.75026312    -13.50201827
  H     14.08895863      5.56023511    -13.11296419
  H     17.83331305      7.04977490    -14.71277877
  O     10.78938837      8.45103192    -10.57488397
  H     13.48222690      6.63582135    -14.04084180
  H     18.21372456      7.32662807     -8.67310630
  O     19.34925390      7.85691929    -11.97951832
  H     15.42750493     10.17216300    -10.91788109
  H     17.16322423      7.07363438     -9.77906842
  O     10.59994989      6.96490175    -13.02370507
  H     14.17757367      9.22043420    -11.03456425
  H     13.55202010     10.59082188    -16.68805531
  O     19.25287201     10.54120876    -12.30403803
  H     15.19135175      9.29716867    -17.46395668
  H     14.81823353     11.42989724    -16.46672594
  O     17.52896319      6.73604348    -13.84999099
  H     15.45388372      8.17498146    -18.49532912
  H     13.37370148      7.10883700    -11.68047050
  O     17.93509392      7.61625729     -9.53753609
  H     16.12594103      3.94486909    -13.00036506
  H     12.51856959      7.82744758    -10.60283551
  O     14.40576437     10.81427139    -17.08391267
  H     16.48695761      5.42668096    -13.25087467
  H     14.00429456     11.88904125    -13.83437860
  O     13.42105631      7.57183075    -10.83128056
  H     18.16853744     10.68772143    -13.78744701
  H     13.74030872     11.01168678    -12.58668817
  O     13.30600137     11.44812255    -13.33632279
  H     16.87107385      9.93399419    -14.16084669
  H      8.93266365      8.95944051    -14.85139225
  O      9.81025252      9.09744400    -14.50618322
  H     16.25601379     11.83008948    -14.79142030
  H     10.06372256      8.27956565    -14.04144587
          69
 Energy    -250.54916753552425     
  O     13.68636638      1.60127001    -14.85234823
  H     14.42089486      1.35207699    -15.42899101
  H     15.63753629      5.07705911    -15.60464848
  O     20.03917649      7.86257910    -16.88873707
  H     14.09507386      1.99909644    -14.07097021
  H     16.93358347      5.14376424    -18.62995975
  O     13.95225846      5.46476315    -11.97324433
  H     19.39786823      8.58150058    -16.82998119
  H     18.43130032      5.23728595    -19.00455340
  O     13.51416398      3.96877435    -18.68431485
  H     19.94245816      7.35466745    -16.07269982
  H     14.67588273      3.82928760    -12.50777983
  O     18.75383051      5.23195045    -12.11272399
  H     14.78728227      5.95928237    -12.06823670
  H     15.44570651      3.56646282    -13.81861867
  O     17.15081943      8.24887444    -19.07722808
  H     13.55676997      5.74991817    -11.15413878
  H     16.65207184      3.10102735    -19.07297062
  O     15.03529037      6.74914318    -15.99695176
  H     13.13046398      3.84128246    -17.80330384
  H     15.12041777      2.91694724    -19.01964834
  O     18.69621523      4.09310540    -16.15360916
  H     12.79820839      3.86456109    -19.30795101
  H     19.23874682      5.99777082    -13.74770268
  O     15.99557319      1.65090263    -16.44003545
  H     19.28949882      5.17783643    -11.32559651
  H     19.15332890      5.51786854    -15.21436028
  O     17.89618312      2.73940930    -12.74429223
  H     18.48197378      4.32216216    -12.32872810
  H     17.85338860      7.44050803    -14.69128045
  O     17.80625468      9.67573395    -16.85533737
  H     17.95303430      7.76444156    -19.30757650
  H     17.28689610      8.72394919    -15.34271957
  O     16.01497002      4.21893639    -15.37848357
  H     16.44669843      7.58854674    -19.03637105
  H     12.67330964      5.09455444    -15.02744179
  O     17.74990391      4.62617205    -18.69630167
  H     15.67626294      7.26055076    -15.48723473
  H     13.14330159      5.71005896    -13.67779262
  O     15.13355653      3.13988456    -13.00330934
  H     14.22856921      6.62337039    -15.47576112
  H     18.88342218      0.58302329    -15.41037156
  O     15.95417853      2.43244104    -19.06044534
  H     18.41521815      4.18339407    -17.07605798
  H     17.57454659      1.35998363    -15.68672791
  O     19.28404686      6.30365057    -14.66162470
  H     18.77930278      3.15599378    -15.94095749
  H     15.24390638      6.41697736    -17.68229763
  O     17.09612467      8.04466543    -14.68368579
  H     15.89200952      2.55129711    -16.09396473
  H     14.69896855      5.45017656    -18.75342096
  O     12.87470870      5.92472560    -14.58011595
  H     15.99479167      1.74126621    -17.40338155
  H     17.12551094      6.22302080    -12.16010730
  O     18.45014787      1.42032816    -15.26693671
  H     18.13223747      2.23170607    -13.52811887
  H     16.50407831      7.32598699    -13.03789120
  O     15.38369230      6.10816043    -18.59259428
  H     16.92947096      2.75304614    -12.70735461
  H     19.80498813      7.06501805    -18.42900045
  O     16.31717814      6.73079247    -12.30130030
  H     17.75781923     10.60925581    -17.04262401
  H     20.31166725      6.79594054    -19.86556317
  O     19.55872441      6.68495867    -19.29148090
  H     17.49917509      9.21321029    -17.65562977
  H     11.38876679      3.34139018    -16.09166823
  O     12.32002643      3.53954124    -16.16306257
  H     16.96513865      4.27052865    -15.54306009
  H     12.78770504      2.82592464    -15.69428681
          69
 Energy    -250.54781588580335     
  O     -3.91566029      0.43757809     -1.66843224
  H     -3.05948848      0.23118373     -1.25116121
  H     -5.30078910      0.29336648     -0.35296079
  O     -4.85473344      3.49251517      6.30479768
  H     -3.93580086     -0.03765562     -2.49483574
  H     -0.55248453      2.55596915      2.68102416
  O     -4.33639839      5.60611808      0.18740431
  H     -5.26087915      2.63998731      6.50032498
  H      0.32047974      1.81956524      1.63491453
  O      0.55350560      1.92215026     -0.21316195
  H     -3.92957030      3.30976020      6.09213399
  H     -3.20223218     -0.29755662      2.30368843
  O     -1.40955940     -0.63391016      2.27829931
  H     -4.15628392      4.86783072     -0.41029147
  H     -4.14164025      0.03316754      3.47562538
  O     -3.83614653      2.64323144      1.80388762
  H     -5.03234847      5.28955603      0.77787399
  H     -7.62494525      1.85773517      3.34001755
  O     -6.10714852      4.24124914      1.93024203
  H      0.06221986      2.74439292     -0.39384509
  H     -7.36029337      2.93128397      4.41199536
  O     -3.53996146      3.13013731     -0.91961310
  H      1.36355429      1.96880366     -0.71346000
  H     -7.01446163      5.42547774      5.08081452
  O     -6.17367357      0.91332400      6.36208046
  H     -0.93710835      0.20632459      2.38102389
  H     -5.93405642      4.32966387      5.23513675
  O     -0.94258217      4.11180635     -0.65912003
  H     -1.36198181     -1.07515349      3.13455622
  H     -1.67689980      4.74598159      2.50342255
  O     -1.52633764     -0.04091448     -0.46996608
  H     -4.01107219      1.72454551      2.03926981
  H     -2.49322848      3.43800283      2.54699319
  O     -5.89370217      0.22737324      0.40437300
  H     -4.64566699      3.15839255      1.92156005
  H     -7.06315116      1.33918873      1.02377098
  O     -0.01204651      1.76568019      2.53951526
  H     -6.27883959      4.48076246      2.85046961
  H     -8.51179753      1.87356739      0.96280858
  O     -4.11031604     -0.03808385      2.51348486
  H     -6.73299340      3.54545281      1.68797281
  H     -3.26265819      1.11727694      5.27233811
  O     -7.54159730      1.99023057      4.29110564
  H     -3.72650288      2.29576037     -1.36297181
  H     -4.56538620      0.37785353      5.70043207
  O     -6.62323274      4.67599316      4.64020395
  H     -3.59953622      2.93360214      0.02852533
  H     -1.49957641      2.19223521      5.55791302
  O     -1.75534428      3.90727274      2.97053490
  H     -6.78513679      0.56110366      7.00281563
  H     -2.16166636      3.22572921      4.62349672
  O     -7.68470000      1.97119774      1.42725520
  H     -6.70403337      1.21599819      5.60274911
  H     -2.34972638     -0.90450885      5.16207832
  O     -3.71651531      0.26142210      5.25605896
  H     -1.81895349      3.76947083     -0.88682313
  H     -1.58075375     -2.18998838      5.54588614
  O     -2.32183583      2.68063192      5.40585776
  H     -1.09995832      4.84472603     -0.05409929
  H      0.14753885      1.29927307      4.39138448
  O     -1.53585175     -1.41071973      4.99802103
  H     -1.48614601     -0.43363005      0.41124769
  H     -0.39337362      0.17114630      5.28786238
  O     -0.07133805      1.07956819      5.30744076
  H     -0.81156334      0.60668197     -0.49319207
  H     -1.66621412      7.04540009      1.20799940
  O     -1.85323515      6.11061795      1.20797049
  H     -5.33585684     -0.02806742      1.15294309
  H     -2.76046036      6.00776498      0.86884294
          69
 Energy    -250.54767779699057     
  O     12.13403454     11.12962504    -14.81010674
  H     11.77094077     10.83106982    -13.96765603
  H     14.91600188      5.86146574    -15.32340300
  O     15.38350061      6.44061532    -13.59434767
  H     12.83566029     11.76149661    -14.61113891
  H     19.16122387      7.25023204    -14.44108902
  O     17.09972060      9.67579549    -11.08926454
  H     16.13146558      6.45632461    -12.98539000
  H     19.47377214      8.18298537    -13.25963893
  O     17.84109902     10.01649162    -15.22550717
  H     15.34675620      7.32645979    -13.99007432
  H     16.76940125     11.30641998    -16.00264365
  O     11.90406332      6.81103005    -15.95130353
  H     16.43361599     10.14135526    -11.61542143
  H     15.70546076     11.26119346    -17.10883536
  O     15.47088543      8.85867174     -9.02903652
  H     16.67435761      9.46742090    -10.24529647
  H     16.13538882      9.29406702    -14.93392199
  O     13.54974318      6.72244155    -11.56251356
  H     18.25546483      9.26779760    -15.67527213
  H     14.61948581      9.05411554    -15.27898259
  O     15.03283494     10.75377904    -12.56458189
  H     18.31550805     10.13369414    -14.39347016
  H     10.34288795     10.33469930    -11.86311097
  O     16.48360918      7.48374997    -17.52540192
  H     11.13976648      6.37233723    -16.31521375
  H     11.81502354      9.88122217    -11.74373317
  O     15.59848718      6.05466746     -9.69586478
  H     11.71625841      6.96194327    -15.00778324
  H     12.04669988      7.01091958    -12.66817826
  O     18.85366013      7.64093515    -16.29787559
  H     14.64181785      9.12760413     -9.44472761
  H     11.21230063      8.24263510    -13.07438004
  O     14.61387293      5.88577004    -16.24135736
  H     15.48234976      7.89442573     -9.06852968
  H     19.90229876     10.61607455    -12.38605545
  O     19.33780249      7.25601948    -13.49226288
  H     14.11170438      6.58583574    -12.34106359
  H     18.53826224      9.95658551    -12.08219752
  O     16.02119731     11.79626357    -16.37109470
  H     14.05868824      6.37963311    -10.81934204
  H     18.11226019      6.84567754    -12.25178072
  O     15.29178357      8.97146948    -14.59115803
  H     15.06889830     10.07278900    -13.25552068
  H     17.22701776      7.83853500    -11.46760883
  O     11.09180273     10.03639213    -12.37365142
  H     14.85847601     11.58086388    -13.02699952
  H     14.69246255     10.02526161    -19.15761318
  O     11.43572997      7.34274491    -13.33838842
  H     15.80858874      6.90179754    -17.14527242
  H     14.30435823      9.66466759    -17.70412482
  O     19.23080759     10.05003688    -12.75818971
  H     16.03509867      8.26956385    -17.85333872
  H     13.90415662      9.93932271    -11.42003382
  O     17.35745026      6.89741216    -11.64680876
  H     15.88313978      5.28377496     -9.21162145
  H     13.39541957      8.49423915    -11.11582936
  O     15.05281918      9.89249652    -18.28438952
  H     16.28786891      6.23855954    -10.35692297
  H     14.46040692     13.74360771    -14.43679641
  O     13.30264602      9.42449128    -10.86076374
  H     19.53727561      7.42511647    -16.92645074
  H     14.99520994     12.46685548    -15.12454030
  O     14.43959820     12.79152379    -14.39286393
  H     18.00368603      7.50659673    -16.75682367
  H     12.73578849      9.92065760    -15.91949648
  O     13.18713334      9.24161486    -16.44500565
  H     13.67416659      6.09519509    -16.19586822
  H     12.70092252      8.41355947    -16.35267342
          69
 Energy    -250.54713873549153     
  O     12.82665163     11.66275740    -15.45219301
  H     13.71689809     11.87782136    -15.75065487
  H     11.96644050      6.17716863    -14.66354454
  O     14.37965716      6.74485751    -12.74702917
  H     12.65325515     10.76660882    -15.77430372
  H     17.72944115      5.42686440    -14.26223672
  O     17.76456465      9.53314441    -12.11737321
  H     15.22138637      6.65161766    -12.28531546
  H     18.67330361      6.49373041    -13.68453713
  O     17.32159105      7.97492621    -16.11139572
  H     14.54666567      7.35541477    -13.48251968
  H     15.74714202     10.42814345    -17.32481801
  O     10.70816862      7.62031130    -14.66238629
  H     17.17396009     10.00494422    -12.72191328
  H     16.50105986      9.08168094    -17.34212939
  O     16.49053083     10.32018169     -9.81617561
  H     17.52351933      9.84630877    -11.23363986
  H     14.13061974      8.66727419    -15.29529825
  O     13.32950255      8.41240383    -10.82832927
  H     18.01726858      8.17789123    -15.47447478
  H     15.65637868      8.27689291    -15.30568463
  O     15.81996128     10.80700695    -13.61503196
  H     17.29046664      7.01138048    -16.18875740
  H     12.28451877     11.86086915    -13.81994015
  O     14.51873385      5.63333172    -16.78034284
  H      9.77174319      7.44950958    -14.71565099
  H     11.39169659     12.65758065    -12.83953564
  O     15.49528439      7.69897924     -9.11676637
  H     10.84910283      8.16031674    -13.86384843
  H     11.78781765      8.88593480    -11.81045665
  O     17.05214079      5.19731380    -16.04787073
  H     15.72166173     10.73631487    -10.22774257
  H     11.37400878     10.12091123    -12.63583036
  O     12.71952821      5.57591743    -14.68560736
  H     16.16220010      9.51110041     -9.40547925
  H     18.82091538      8.77654732    -13.32607283
  O     18.16983271      5.70439486    -13.44963465
  H     13.59815007      7.80639710    -11.53641087
  H     20.16617672      8.59541173    -14.06322576
  O     15.85539023      9.61336018    -17.82881586
  H     13.88722062      8.18586455    -10.07580426
  H     17.31388450      6.34407513    -12.00977852
  O     14.91091375      8.52407695    -14.74417671
  H     15.27660641     11.00242692    -12.83975487
  H     17.11574984      7.83095109    -11.64385877
  O     11.98313320     11.91181350    -12.89498137
  H     15.45861476      9.99208209    -14.00094288
  H     14.56166564      8.53681252    -18.29249338
  O     11.18627829      9.18389986    -12.50436652
  H     14.25158081      6.33922614    -17.37716465
  H     13.67937758      7.86834361    -19.37447427
  O     19.25437064      8.31494504    -14.06366388
  H     13.84359915      5.57024779    -16.08788422
  H     13.43015582     11.46361534    -11.80241952
  O     16.84139414      6.93518420    -11.40495622
  H     15.99795425      7.31675115     -9.85633239
  H     13.89159593     10.12086788    -11.19642464
  O     13.83112436      7.90742572    -18.43414239
  H     15.64326906      7.13176550     -8.36429465
  H     15.77293815     11.61939788    -15.20314500
  O     14.18285591     11.02515032    -11.38551667
  H     16.11249445      5.28881754    -16.29264486
  H     16.11524372     12.73696202    -16.21383012
  O     15.61222942     11.93278085    -16.10949447
  H     17.39635345      4.47214800    -16.56229456
  H     11.88429338      8.47651117    -15.78524019
  O     12.57578746      9.00236415    -16.20779808
  H     13.25797992      5.80688096    -13.91648030
  H     12.82612382      8.58400853    -17.04120555
          69
 Energy    -250.54648542234429     
  O     17.77481849      8.82546526    -12.82179700
  H     18.39963530      8.52200217    -12.15166812
  H     12.16859822     10.41802805    -11.54271307
  O     12.09518723      7.58129405     -9.90380393
  H     16.92157124      8.90538944    -12.36575006
  H     19.05588891      4.73086922    -10.49330808
  O     16.94415473     11.48455673    -13.23044572
  H     11.66453921      7.52824802    -10.76758025
  H     17.83192025      5.14206750     -9.64616640
  O     11.04050915      7.61471113    -12.55088822
  H     12.19195528      8.52363516     -9.72267566
  H     13.72533701      6.84356583    -10.16662886
  O     16.74314660      6.85435278    -14.44580566
  H     16.04655136     11.28851032    -13.53188488
  H     14.87094680      7.51081513    -10.95207983
  O     19.19419937      7.87217977    -10.64870147
  H     17.41535891     10.64062816    -13.25811059
  H     19.84220283      5.35039617    -12.44568861
  O     18.82037363     10.25323006     -9.21045831
  H     10.19868448      7.28710848    -12.85593065
  H     21.25851536      5.24324972    -11.83180614
  O     17.05190740      6.79315131     -9.17642327
  H     11.71987371      7.20403962    -13.11491905
  H     18.15042363      5.55747232    -14.13676212
  O     12.97844022      6.55423256    -14.10779821
  H     17.17765134      7.54475512    -13.92224990
  H     18.13455562      4.24537306    -13.32938905
  O     14.70133713      8.23970184    -15.66592292
  H     16.18899012      6.33265885    -13.84532560
  H     14.91062808      9.51484105    -12.35811934
  O     14.40220034     10.41207770    -13.85178390
  H     19.73365420      7.13898933    -10.96959822
  H     15.29157608      9.64257993    -10.84733229
  O     12.04621285     10.27141352    -12.48809231
  H     18.44600174      7.47873739    -10.17556794
  H     17.48044121     13.12371508    -10.58960420
  O     18.24235049      4.39356467    -10.09834328
  H     18.41914307     10.91410954     -9.78693424
  H     17.13011365     11.99107859    -11.57984293
  O     14.62637843      6.69578405    -10.48419189
  H     19.10739573      9.51754227     -9.76926350
  H     15.71723569     10.18291862     -8.69282252
  O     20.37327228      5.54856654    -11.65353576
  H     16.96634144      7.50877240     -8.53640122
  H     15.88084215     11.33033618     -9.73433683
  O     18.72377273      4.90498384    -13.71743796
  H     16.17949739      6.68322925     -9.58314806
  H     15.64623367      4.50432768    -12.61334136
  O     15.32096080      9.05582269    -11.61270521
  H     13.64623806      5.99232728    -13.69278082
  H     14.91896812      5.69917267    -11.93586232
  O     17.23244836     12.20391271    -10.63537308
  H     13.45676099      7.13204027    -14.71314091
  H     17.65612512      9.59319713     -8.11506405
  O     15.24550780     10.70862515     -9.35242031
  H     15.47654323      7.75715312    -15.33222192
  H     17.08569112      9.28343302     -6.70658089
  O     15.11823318      5.29140208    -12.79179201
  H     14.77891853      8.25765901    -16.61671675
  H     13.44876231     10.59842866     -9.48897979
  O     16.90215527      9.19808153     -7.63841133
  H     13.50347933     10.44864597    -13.48784746
  H     12.03396941     11.02754541     -9.04894013
  O     12.50308355     10.44754790     -9.64457451
  H     14.42517378      9.73315432    -14.53715454
  H     17.36520299      3.60613562    -11.38733600
  O     16.94642339      3.25203898    -12.19260487
  H     11.63346758      9.40135695    -12.56332049
  H     16.87590310      2.30867057    -12.07569077
          69
 Ord_Energy   -250.546341    
 O    2.51012802     -0.375175238       5.96003532    
 H    3.30054545     -0.837119401       5.64428997    
 H    2.57619119      0.528442204       5.62055397    
 O    3.18810344       2.89252329       8.11012936    
 H    2.47170591       3.43165755       8.43688774    
 H    2.99855900       1.97965586       8.38461208    
 O    1.48906267      -2.00540423       9.73008537    
 H    2.14015913      -2.73026371       9.73531151    
 H   0.865487874      -2.19358659       10.4262476    
 O    4.92775965      -1.47056127       5.28818893    
 H    5.08066130      -2.35122585       5.65273142    
 H    5.34700012     -0.842548847       5.89808130    
 O    8.11426258      -3.16771221       6.08243418    
 H    7.22026443      -3.53052163       6.10441780    
 H    8.39731121      -3.10938144       7.00295019    
 O    5.95143938      -3.25682569       9.24523449    
 H    6.91586971      -3.25956321       9.21593285    
 H    5.69175673      -2.35194802       9.47759342    
 O    2.77795768      -4.85016012       6.81882429    
 H    2.18756604      -4.07699013       6.76899958    
 H    2.29960561      -5.58529854       6.44523382    
 O    6.04466677      0.212943226       7.15076733    
 H    5.89699221     -0.257717997       7.98049879    
 H    5.93945169       1.14771914       7.36498260    
 O    7.35071325       3.15915489       6.01617146    
 H    6.78812265       2.97909570       5.25151539    
 H    7.98326540       2.43017411       6.06303978    
 O    8.68174839      0.666496933       6.38714218    
 H    8.93471432       8.85230526E-02   5.65728474    
 H    7.76595259      0.428253680       6.60073090    
 O    5.97062683       2.82962227       8.30886555    
 H    6.44560766       3.13116837       7.51804399    
 H    5.02951670       3.01998496       8.21670055    
 O    2.80432177      0.206992239       8.66153622    
 H    2.28256583     -0.461096913       9.12524891    
 H    2.74978614      -1.18035898E-02   7.71815729    
 O    8.97494125     -0.228779823       9.03572273    
 H    8.38962364      0.349751025       9.53625298    
 H    9.03613186      0.146629721       8.14639187    
 O    1.19709754      -2.64341331       6.91490078    
 H    1.52440143      -1.84684753       6.47385073    
 H    1.12016535      -2.41445708       7.84816265    
 O    7.01702642       1.43430734       10.3817768    
 H    6.68629122       2.01230168       9.67112160    
 H    7.22863674       1.99794233       11.1211481    
 O    5.40849447      -3.88344264       6.57172251    
 H    5.58111382      -3.67170811       7.50086021    
 H    4.54613018      -4.31621075       6.54986525    
 O    8.95398235      -1.25493026       4.35182095    
 H    9.65412617      -1.61714983       3.81580615    
 H    8.65205097      -1.97221684       4.93826675    
 O    5.26837015     -0.651562929       9.69696712    
 H    4.41519070     -0.288464785       9.42187405    
 H    5.79582500       5.50484583E-02   10.0911875    
 O    3.11226869       2.21587205       5.28073788    
 H    3.96362472       2.32147002       4.83762980    
 H    3.19949818       2.60978651       6.15551567    
 O    3.25903034      -4.05733538       9.53599834    
 H    3.09528971      -4.47112083       8.67931175    
 H    4.21057510      -3.89637017       9.57408714    
 O    5.61874199       2.43314171       3.90017104    
 H    5.94176292       1.53420651       3.71087146    
 H    5.57061481       2.88495088       3.06097555    
 O    8.72338772      -2.92034483       8.87306499    
 H    9.47742748      -3.32585096       9.29304981    
 H    8.83512497      -1.95744216       8.96676254    
 O    6.49013805      -9.43435133E-02   3.45635200    
 H    5.87058210     -0.666916728       3.93045688    
 H    7.36552191     -0.448974550       3.64906096    
          69
 Energy    -250.54603182683201     
  O      9.85895654     11.39009637    -12.30475568
  H      9.93661685     10.43773105    -12.43820040
  H     13.37579163     12.46219759    -12.39696233
  O     13.89870135     10.55213693    -16.44534805
  H     10.19258116     11.79673175    -13.11397969
  H     16.83674280     11.38253687    -11.51370169
  O     12.63180431      9.65872990    -14.08396807
  H     13.42212398     10.14363758    -15.71083977
  H     16.87231878     10.05888810    -12.35482667
  O     16.29055452     11.36199017    -15.35059185
  H     13.37493545     11.31343254    -16.72102405
  H     16.92583100     10.00450417    -14.52939999
  O     12.35152339     10.41447395     -9.49295528
  H     13.06150163     10.05654409    -13.30830368
  H     17.99282712      8.89340343    -14.36479687
  O     15.13643958     13.96809770    -16.47994497
  H     11.83871269      9.20727558    -13.76579081
  H     12.79075207     14.04013239    -11.12085304
  O     14.40922899      6.91869010    -10.89878291
  H     16.07010663     12.11138217    -14.78213713
  H     11.86304447     13.64081001     -9.96984495
  O     13.76935426     10.79471617    -11.87748218
  H     15.46830677     11.06797786    -15.77258449
  H     14.07538378      8.31864639    -13.80814509
  O     11.77873434      7.95310048    -10.62996604
  H     11.68368871     11.11212672     -9.48877026
  H     15.61505417      8.23770479    -13.69435660
  O     15.15882704     13.17579005     -9.42556541
  H     13.01407703     10.61612486     -8.82020592
  H     16.36669237     13.24982791    -10.62653864
  O     10.38268942      8.61079528    -12.82395148
  H     15.31822875     14.10503708    -15.53828096
  H     17.80243555     13.69376392    -10.99744169
  O     13.12642754     13.30843298    -12.80148610
  H     15.73474466     13.25915689    -16.72779185
  H     11.62307557     12.55311450    -15.44525963
  O     16.53771876     10.46488522    -11.54550688
  H     14.56896070      7.20842416    -11.81419705
  H     11.73482709     11.31843869    -14.52090039
  O     17.19664916      9.24733211    -13.97850236
  H     14.64271173      5.99446014    -10.86115047
  H     14.76447637     10.73010239     -6.92410110
  O     12.66906406     14.13154130    -10.16563302
  H     14.71337583     10.65408190    -11.73433594
  H     15.01533806     10.12658095     -8.32888112
  O     14.79560356      7.79049270    -13.44866389
  H     13.30853189     10.64044229    -11.04268300
  H     16.22484505     13.60310926    -12.97738090
  O     17.04687601     13.21448654    -11.32616525
  H     12.64140284      7.52549238    -10.68767331
  H     14.75412773     13.61901781    -13.44713032
  O     11.30692991     12.18009788    -14.61204999
  H     11.91887329      8.76614538    -10.12396789
  H     12.25759958     13.44582408    -17.76114533
  O     14.56303895     10.84479893     -7.84856328
  H     14.29383539     13.57062798     -9.61021074
  H     13.45264971     13.47830052    -16.78336356
  O     15.66944793     13.64865044    -13.76373346
  H     14.99993586     12.42867526     -8.83938106
  H     16.13858063      9.45011618    -10.08682100
  O     12.58198796     13.07582073    -16.94403852
  H      9.72311226      7.95035206    -13.01653113
  H     15.26465043      8.21540614     -9.79807771
  O     15.72216853      8.94897724     -9.37099905
  H     10.84860664      8.32137720    -12.01747629
  H     10.17599952     12.06976553    -10.73079833
  O     10.40668079     12.38518438     -9.83851961
  H     12.43157023     13.10108651    -13.43648483
  H      9.58595528     12.60228275     -9.40457591
          69
 Energy    -250.54463893591833     
  O     13.18043840      9.66990161    -10.87585653
  H     13.71421799     10.14904315    -10.22897271
  H     14.37711988     15.70372026     -8.06552129
  O     10.99144198      6.38527968    -10.30508470
  H     13.72317561      8.93209409    -11.17529637
  H     10.23895940     12.27347745    -10.54246924
  O     12.17282973     11.33668166    -12.77158054
  H     11.00753136      6.74480337    -11.21122394
  H     11.49551492     12.38628454    -11.41200237
  O     14.77765807     10.88421287     -8.96037254
  H     10.41292221      5.62788699    -10.31936918
  H     14.45512352      8.31974881     -6.56829989
  O     14.96730992      7.59792739    -11.67217632
  H     12.50899603     10.68801829    -12.13247247
  H     13.30311725      9.11640340     -7.22529154
  O     14.25867342     15.19797635    -12.88071846
  H     12.94952674     11.79784987    -13.11027468
  H     11.38066376      9.76942213     -7.84927561
  O     10.83810306      9.04582042     -9.45212128
  H     14.71518714     10.11156118     -8.38507569
  H     12.07900826     11.06848680     -7.39368574
  O     14.61061496     12.46660620    -13.39084259
  H     14.09002065     11.51086355     -8.68803323
  H     12.78507904      6.48579960     -9.66342060
  O     15.87550503     14.50384252    -10.60252370
  H     14.47494258      7.38661281    -12.47497728
  H     13.79585927      7.25213002     -8.76536244
  O     12.33759967     15.25760197    -10.96779295
  H     14.58928778      7.11246772    -10.92213053
  H     16.60402477     10.96171043    -11.53127467
  O     15.14896380      9.86373431    -14.37836008
  H     13.51464781     15.24537572    -12.25332882
  H     15.75425051     11.46894284    -10.34440121
  O     14.04440139     15.03853597     -8.66188401
  H     14.23697903     16.00061397    -13.39446480
  H     10.57783376      8.31107684    -12.96796056
  O     11.05466859     12.78229700    -10.64851660
  H     11.62508009      9.28598321     -9.96290135
  H     11.89922910      7.57249866    -13.27297183
  O     14.11484247      8.60992055     -7.41092044
  H     10.72065088      8.09991174     -9.59780693
  H      9.42945697     10.31564000    -14.14769361
  O     11.90935978     10.15406302     -7.13487114
  H     15.12930383     12.22698241    -12.60866701
  H     10.65982234     10.54110497    -13.23996626
  O     13.72527274      6.61044031     -9.48268988
  H     14.50353044     13.42541707    -13.36242906
  H      9.55949473     10.20890759    -10.15573374
  O     16.18257290     11.74934019    -11.16686313
  H     16.14220582     13.59105179    -10.77165736
  H      9.13866365     10.56698740    -11.58436768
  O     11.07922691      7.51087645    -12.76849547
  H     15.46453700     14.81518287    -11.41845912
  H     13.69795394      7.12566820    -14.91627921
  O      9.84792346     10.01534273    -13.34458957
  H     11.75180928     14.49371753    -10.87879965
  H     14.06306046      8.48115851    -14.27352491
  O      9.07341846     10.86829050    -10.67075816
  H     12.81718651     15.31762802    -10.13267082
  H     17.85270632      8.82676565    -12.27304325
  O     13.57800983      7.64962650    -14.12787688
  H     14.92824281     10.79210872    -14.23318900
  H     16.34425650      8.65067232    -11.97802747
  O     17.01837303      9.28877339    -12.27147175
  H     15.89831060      9.68602168    -13.79648415
  H     12.08295464     12.63676828     -9.14439178
  O     12.68989514     12.59654021     -8.39109043
  H     14.75959100     14.84355940     -9.29372145
  H     13.12471992     13.45728629     -8.34272452
          69
 Energy    -250.54418075610039     
  O     14.13929798     10.39579799    -14.84331934
  H     13.88822324     11.13278220    -14.29185612
  H     17.55788440      4.17819445    -16.81173276
  O     14.51639136      4.52556582    -16.81969991
  H     14.54037005      9.73146323    -14.25729399
  H     21.42684870      5.86286238    -14.92674561
  O     17.02230893      7.16253582    -11.75046897
  H     15.36456418      4.38317034    -17.25379449
  H     20.47119479      6.72828671    -15.78023236
  O     20.18322462      7.77233065    -17.22470183
  H     14.09183969      5.27098276    -17.26101372
  H     16.26949170      7.27948296    -16.39060725
  O     18.20632141      6.54254405    -18.56561705
  H     16.34363219      7.65200304    -12.23682813
  H     17.05291778      6.31283344    -15.44561273
  O     12.67196146      5.95946562    -10.62268474
  H     17.87464642      7.46845797    -12.09159930
  H     12.46099449      7.67068352    -14.88294818
  O     14.26363027      4.46038908    -14.09936183
  H     20.76230576      8.18738415    -17.85824301
  H     12.93791751      9.00570437    -15.49578206
  O     15.13186540      8.25912713    -13.44592846
  H     19.48609556      7.32108053    -17.73642618
  H     15.98020493      2.37327277    -10.14956686
  O     18.10159246      4.75395427    -15.23909187
  H     17.93268423      5.63113342    -18.41138408
  H     14.91726142      3.13643237    -10.97786346
  O     13.33671905      3.36242576    -11.69241702
  H     17.38989571      7.06357097    -18.54350361
  H     12.93451650      7.32288739    -17.13619322
  O     18.38880677      9.25995313    -15.52064254
  H     12.13289834      6.19684467     -9.87311187
  H     12.51464341      6.81290425    -18.53462619
  O     17.21772870      4.01390559    -17.70874660
  H     13.59924931      6.01179636    -10.32877262
  H     19.77170857      7.32544532    -13.59757596
  O     20.52167592      6.15720040    -14.99612120
  H     14.33377771      4.42129705    -15.06440966
  H     19.01490067      8.63644999    -13.78592901
  O     16.57203125      7.14636487    -15.48218770
  H     15.15592878      4.53985986    -13.74016668
  H     16.90873141      5.49717488    -12.47084013
  O     12.48337660      8.18136418    -15.70347577
  H     15.61884153      7.84333727    -14.17584342
  H     16.59994644      4.01893197    -12.10996517
  O     15.83077872      3.17607875    -10.64056957
  H     14.31972909      7.74703991    -13.32537219
  H     15.56429860      4.99140815     -9.99634334
  O     13.24822417      6.84778127    -17.92663734
  H     17.71625686      4.58551264    -14.36639944
  H     15.94992572      6.42828595    -10.40064247
  O     19.27771404      7.99562821    -13.11295329
  H     18.96912408      5.15740430    -15.11094942
  H     15.86659251      8.79379882    -17.79816276
  O     16.81289174      4.60857273    -12.84347330
  H     13.53127283      3.59670898    -12.61135027
  H     14.92135244      7.58800344    -18.15095595
  O     15.29782751      5.91428837     -9.90578950
  H     12.94674987      4.15312429    -11.30007713
  H     12.65356639      6.52758319    -12.39961634
  O     15.84207886      7.86825163    -18.08680960
  H     17.74946693      8.53360743    -15.44919435
  H     13.29923548      5.90069627    -13.66102808
  O     12.85688017      6.69698737    -13.32738164
  H     19.06094669      8.94089685    -16.13400614
  H     15.42601961     10.45910956    -16.24111048
  O     16.11070436     10.32773577    -16.90889516
  H     17.43028919      3.10847157    -17.92191677
  H     16.93692745     10.19462001    -16.42698602
          69
 Energy    -250.54331258680452     
  O     13.42122298      5.68349417     -9.88630984
  H     13.84142613      6.27467615     -9.25043085
  H     17.47282591      8.96009390    -12.54412189
  O     14.76682426      8.14803192    -16.79743630
  H     14.13663941      5.15721010    -10.26415478
  H     15.39010176      8.48112415    -12.21139677
  O     18.09022804      8.41623170    -14.15353131
  H     14.74681642      8.22372661    -17.74931337
  H     14.07747147      8.48092438    -11.42315881
  O     15.65501294     11.41434093    -11.11755241
  H     13.84475790      8.07469665    -16.50683449
  H     12.00210456      6.20201506    -10.76791534
  O     12.12215125      7.92931673    -15.91946306
  H     17.50703986      7.73054955    -14.51189144
  H     10.46671662      6.08102899    -10.86110697
  O     18.05028033      3.35492474    -12.14422994
  H     18.91339895      7.97116965    -13.91602473
  H     21.16868144      6.86233321    -13.31016748
  O     11.97331332      6.08858390    -13.96717567
  H     15.30095185     11.54101281    -12.01784778
  H     19.95116536      6.44543936    -12.45161687
  O     17.03619990      6.89070432     -9.94117716
  H     15.93317620     12.27205401    -10.80878184
  H     14.49522919      6.59109743    -12.93134773
  O     18.51333392      4.75257091    -14.42997838
  H     12.03248423      7.23462515    -15.24072290
  H     15.02009555      5.18521051    -12.57548152
  O     14.71317741     11.60467278    -13.61321226
  H     11.31186499      7.92693112    -16.42211544
  H     15.76089590      9.57603497    -15.90253621
  O     12.63017820      9.72262969    -13.75360080
  H     18.17980647      3.79040377    -13.00589193
  H     17.03353902      9.71973810    -15.04849295
  O     17.05084927      9.02703338    -11.67629087
  H     18.35307169      2.45634049    -12.24239992
  H     15.78399897      6.12122553    -14.57095381
  O     14.46061363      8.22465495    -12.26977006
  H     12.87166948      5.76099435    -13.81895154
  H     15.89153903      6.95580686    -15.86969868
  O     11.21829372      6.52510934    -11.24667722
  H     11.61505259      6.25453266    -13.08697321
  H     18.98294374      4.80756291    -11.27022170
  O     20.21813925      6.79101618    -13.32241877
  H     17.08582383      7.65879715    -10.53027055
  H     18.64130661      6.10282509    -10.50742710
  O     14.62933985      5.69966851    -13.29240432
  H     16.39000683      7.10994319     -9.25973420
  H     11.33515348      8.41791543    -11.18752486
  O     16.29082584     10.21622007    -15.41434338
  H     19.18041846      5.40617656    -14.18643828
  H     11.72578456      9.60747603    -12.08796596
  O     16.41106654      6.45526173    -15.23047516
  H     17.79632981      5.24931373    -14.84530229
  H     16.50864518      4.04883270    -11.36261723
  O     19.34099336      5.66513568    -11.00980986
  H     15.31099597     11.22196786    -14.27254324
  H     16.23925148      5.40612433    -10.67251496
  O     11.53403388      9.36313142    -11.17283717
  H     13.87755770     11.13264746    -13.71679616
  H     14.49119282      8.35307238     -8.76562233
  O     15.80336593      4.62001710    -11.03433320
  H     13.30887397      9.17838196    -13.32330891
  H     14.74294628      7.76865284     -7.35446146
  O     14.84368682      7.58328308     -8.28437143
  H     12.36295244      9.23762134    -14.54072281
  H     12.97669055      9.65886491    -10.17556908
  O     13.87318681      9.59827031     -9.80981723
  H     16.74792944      9.93080010    -11.52464713
  H     14.41752100     10.28919004    -10.20728377
          69
 Energy    -250.54331121747481     
  O     13.31232116      6.28874717     -9.72973232
  H     13.83674424      6.85137896     -9.14763730
  H     12.64083882      9.63913554    -14.60203895
  O     14.77939458      8.04947495    -16.82872945
  H     13.92846633      5.63627437    -10.08498770
  H     17.17792589      9.86519360    -11.74389412
  O     18.19169307      7.99137633    -14.28708086
  H     14.73926219      8.06284397    -17.78288365
  H     17.71595909      8.72961950    -12.70725564
  O     16.33216339     11.52068451    -11.41963086
  H     13.86685649      8.13585569    -16.51274492
  H     15.59735803      8.59384537    -12.29378699
  O     12.16228313      8.29198139    -15.87747115
  H     17.50134669      7.37887095    -14.58195303
  H     14.32625503      8.84489113    -11.47794986
  O     17.46555048      3.14145492    -11.91922968
  H     18.94687272      7.44432618    -14.03700084
  H     11.95770473      6.95461511    -10.61381789
  O     11.80604588      6.63091388    -13.79519931
  H     15.97118954     11.63818502    -12.31842348
  H     10.41917454      7.06055798    -10.66318916
  O     17.06288654      6.93041460     -9.95322344
  H     16.74500950     12.34551376    -11.17962799
  H     21.03084204      6.05151943    -13.40448849
  O     14.34430152     10.08668927     -9.94476364
  H     11.99279926      7.66622854    -15.14875089
  H     19.79404095      5.88200974    -12.49079096
  O     18.05528668      4.29560293    -14.30934646
  H     11.34442549      8.37787607    -16.36013054
  H     14.40767757      6.81613247    -12.85567547
  O     15.34675980     11.68182619    -13.90048095
  H     17.62975371      3.49318715    -12.81265106
  H     14.72895618      5.37446003    -12.41182217
  O     13.00329633     10.13034920    -13.85803815
  H     17.62777200      2.20292575    -11.95948801
  H     16.00414708      9.36837269    -16.06146272
  O     17.33772127      8.91792010    -11.83710923
  H     12.65005085      6.18234735    -13.64429132
  H     17.31167769      9.37586624    -15.24907843
  O     14.63862696      8.47715057    -12.31246372
  H     11.50593552      6.90808588    -12.92126819
  H     15.55693744      6.04756612    -14.48617416
  O     11.21525064      7.35913317    -11.09661160
  H     17.20669038      7.64065713    -10.59691263
  H     15.74429769      6.76669685    -15.84358928
  O     20.08039892      6.12372936    -13.38999324
  H     16.47953728      7.29014271     -9.27477307
  H     18.63259257      4.49250290    -11.17317582
  O     14.39552488      5.89234019    -13.15476219
  H     13.45516051     10.25695311    -10.29346086
  H     18.51310673      5.87302122    -10.49777381
  O     16.63940303      9.95281820    -15.63266285
  H     14.97190952     10.65915260    -10.40306859
  H     11.61447518      9.21227981    -11.17616950
  O     16.20447653      6.23786857    -15.18204768
  H     18.81995656      4.85606285    -14.12857419
  H     12.14769359     10.26572680    -12.16832354
  O     19.12276074      5.30187931    -10.98320223
  H     17.40681634      4.86559458    -14.74286476
  H     16.07122379      4.11115522    -11.15462596
  O     11.95222165     10.11549468    -11.23389623
  H     15.85870292     11.16967162    -14.54404891
  H     16.02996026      5.53704390    -10.55780627
  O     15.47013166      4.80304119    -10.85226388
  H     14.44720926     11.33532279    -13.95090022
  H     14.80441450      8.83595334     -8.82818235
  O     15.05418493      8.05610375     -8.30103962
  H     13.60732527      9.52028855    -13.40531330
  H     15.01311600      8.31695335     -7.38478945
          69
 Energy    -250.54325531204972     
  O     19.87264328     12.28626164    -19.40084237
  H     19.97723696     11.80908966    -20.21961921
  H     20.55000604     15.78328022    -16.89416450
  O     17.72747044     18.17517031    -14.05528201
  H     19.28450814     13.04079891    -19.59057161
  H     22.90733336     14.16883081    -14.55344560
  O     22.64305948     12.57334703    -15.49184321
  H     17.56177381     18.30890192    -14.99560291
  H     22.35669688     15.03463985    -13.38830660
  O     15.70348258     14.28379268    -14.00309034
  H     18.68474398     18.07262434    -13.96066394
  H     18.53098760     12.53676905    -13.85687464
  O     16.26947427     13.31855163    -17.83334919
  H     23.25388911     11.84349867    -15.54041053
  H     17.22753478     11.72006140    -13.82318087
  O     14.37703771     12.64741270    -15.81608428
  H     22.47336069     12.86417869    -16.40764582
  H     17.09650123     10.85395977    -15.87966987
  O     22.01933720     13.45211636    -17.95124243
  H     15.80098680     15.03077901    -13.39906921
  H     15.66686876     11.20534789    -15.42973837
  O     22.75518459     17.35948071    -15.47758608
  H     16.40086068     13.64828447    -13.77924207
  H     16.90155766     17.23732641    -16.70946965
  O     16.43154235     16.45831307    -12.41573011
  H     15.50298128     13.04975454    -17.31330871
  H     16.44906180     18.59720338    -17.29024602
  O     19.89626184     12.76649221    -14.98758645
  H     16.99528865     12.73011757    -17.57381877
  H     21.44715880     15.56665957    -11.12096292
  O     18.12671289     14.30163613    -19.75797097
  H     13.43560120     12.58208341    -15.67627104
  H     20.20990195     15.11716213    -11.92741852
  O     21.22303442     16.10875514    -17.51264810
  H     14.71923060     13.24990653    -15.13517397
  H     21.18478717     17.58117930    -14.45214964
  O     22.97560468     15.03266560    -14.12878790
  H     21.32814925     13.03812709    -18.48183333
  H     20.66706434     16.86065438    -13.17794773
  O     17.69158598     12.44518233    -13.38124376
  H     21.81892081     14.39739842    -17.92763007
  H     17.85357204     15.25685649    -11.94001991
  O     16.45967387     10.72541064    -15.16396232
  H     22.92259846     16.51423239    -15.01979159
  H     18.25648978     13.78724325    -12.19788674
  O     17.18385516     18.15527302    -16.87003659
  H     23.57628201     17.84340956    -15.47650678
  H     18.91844199     11.73055737    -17.87988403
  O     21.10700423     15.48675841    -12.00861730
  H     16.86815375     17.09833942    -13.00608390
  H     18.93784702     12.01996798    -16.36076182
  O     20.39931040     17.43200900    -13.91056691
  H     15.98861027     16.96619773    -11.74104510
  H     19.62286592     16.08653145    -14.95863819
  O     18.56169815     14.61617788    -11.80721450
  H     20.84010213     12.59013534    -15.06773714
  H     18.46622142     15.48580786    -15.82636154
  O     18.38727787     11.67143824    -17.07596062
  H     19.76513546     13.70788911    -15.18146375
  H     19.76181408     16.70715943    -18.53423615
  O     19.39062929     15.37757760    -15.57077411
  H     18.34339936     15.21342689    -19.51469584
  H     18.41254799     17.39883423    -18.25450640
  O     18.87164730     16.83838901    -18.88775867
  H     17.34132803     14.05223505    -19.25729146
  H     16.31827066     15.19783603    -15.45732561
  O     16.68899440     15.54546973    -16.27814439
  H     21.83040677     16.63275288    -16.97800569
  H     16.58140281     14.84892367    -16.93982369
          69
 Energy    -250.54278205642009     
  O      2.37289919     -0.91708035      5.45271386
  H      2.35737121     -1.25126584      4.54579317
  H      0.14017780      2.53342302      2.33880364
  O      0.84504798      1.55717607      8.33560703
  H      2.06140252     -0.00204541      5.43389431
  H     -1.73297579      0.53620951      4.49285711
  O     -2.14606943     -4.70475317      5.37062847
  H      1.08328717      0.70883619      8.74080674
  H     -1.34436499      1.85058401      3.77107854
  O      2.48148130     -4.90684085      6.75623426
  H      1.13207417      2.23686322      8.94209526
  H     -0.38828916      0.81516321      1.09775067
  O      2.11145945     -1.90564821      2.89213066
  H     -2.81360918     -4.04448383      5.58579446
  H     -0.27479688     -0.73347422      1.07354201
  O      1.90261371     -4.43315821      4.15549679
  H     -1.53336906     -4.72700069      6.12009523
  H     -1.85146203      1.65928587      6.49460976
  O      3.01384698     -2.28541216      7.74661245
  H      2.31955275     -4.75292317      5.80739310
  H     -1.02430211      1.63070868      7.79628231
  O      1.61285348     -0.85149610      9.53441078
  H      3.03605199     -5.67984883      6.81777462
  H      1.77985098      2.21668963      3.83379177
  O     -0.63131569     -2.68480898      9.46621725
  H      1.17369864     -1.98461070      2.66508336
  H      2.25156997      1.73926769      2.43154026
  O     -0.59771899     -2.20721759      2.19833196
  H      2.47426486     -1.22356082      2.31403638
  H      0.73160132     -1.59419702      5.93096484
  O      2.70238380      0.28090520      1.23759606
  H      2.15209678     -3.62238287      3.69525751
  H     -0.10869603     -2.80787219      6.43700000
  O     -0.79647792      2.43744177      2.08608303
  H      1.03562030     -4.67355709      3.80664460
  H     -0.97066252     -5.68348368      2.63395006
  O     -1.42641868      1.44183330      4.64154497
  H      2.90777996     -3.20960620      7.49460943
  H     -1.26359159     -4.82323156      3.88466683
  O      0.05915563      0.07711303      0.66638446
  H      2.94723803     -1.77820089      6.92373385
  H     -1.47621914     -1.37108649      7.24655039
  O     -1.92328683      1.56007695      7.45337110
  H      2.13871282     -1.38195498      8.90766323
  H     -2.30628843     -0.17929503      7.75927601
  O      1.79537058      2.45123271      2.89652884
  H      2.05895498     -0.90795917     10.37621757
  H     -3.42994526     -2.03524286      6.72925390
  O     -0.16511627     -1.90706306      6.09308312
  H      0.10836636     -2.07127377      9.54626641
  H     -4.83082522     -2.51403786      6.28493019
  O     -0.71325859     -4.88247756      3.08292235
  H     -1.35334090     -2.16399740      9.08949891
  H      0.70323454     -4.68700410      7.27795447
  O     -2.26748214     -1.14594827      7.75982853
  H     -1.19664269     -1.80991713      2.84723876
  H     -0.33176930     -3.93637069      8.18962340
  O     -3.91212280     -2.50920189      6.02976149
  H     -0.65454621     -3.15996024      2.34371816
  H      0.30006311      1.50893566      5.22603193
  O     -0.21818755     -4.41071074      7.35212472
  H      3.24346002      0.38775120      0.45980708
  H      1.18015577      1.66920016      6.48915147
  O      1.21745054      1.58290132      5.52902164
  H      1.77781087      0.21940133      0.93304820
  H     -2.87819897     -1.60826547      4.68526566
  O     -2.08542822     -1.22930654      4.29043553
  H     -1.04759532      3.24532209      1.64584638
  H     -1.35233749     -1.50356512      4.86779532
          69
 Energy    -250.54180538633346     
  O     16.93804340      5.35317495    -13.30219662
  H     17.04112238      5.38549548    -14.27031302
  H     18.49290753      6.34716224    -12.76810512
  O     15.76488243     13.06150039    -11.74212535
  H     16.86382297      4.43258270    -13.06510586
  H     20.00218928     10.20963023    -17.52480190
  O     21.22395754     10.24249194    -14.55763510
  H     16.24847872     12.99966529    -12.58174906
  H     20.45032570     10.68053837    -16.09845193
  O     15.43869522      7.13236695    -17.41908091
  H     15.84387213     13.96631289    -11.44909339
  H     18.49901011      9.76363891    -16.03488045
  O     13.64403349      9.25605709    -11.36093703
  H     20.51779913     10.50567261    -13.95157801
  H     18.57413925      8.26307004    -15.68399177
  O     15.61131810      7.67582173    -12.48488408
  H     21.34715969      9.29591908    -14.41585402
  H     16.93582609     12.07926856    -17.41331089
  O     16.97207132     12.63646996    -14.19565900
  H     15.32079654      7.65386801    -16.60645619
  H     15.63877942     11.41775726    -16.92925072
  O     21.29561241      7.40100975    -14.16863474
  H     14.56565609      6.95529145    -17.76086838
  H     17.16403170      9.57002076    -10.74051340
  O     15.47127441      8.60240163    -15.11380978
  H     14.26026922      8.62301184    -11.76414563
  H     18.14446340      9.64632768    -11.93333883
  O     19.66169240      6.92839583    -16.39375128
  H     12.96319731      8.74082854    -10.93489265
  H     15.02887381     10.24408420    -10.41447345
  O     17.30136863      5.51712025    -15.97043318
  H     15.95130793      6.80185846    -12.71505874
  H     15.87273416     11.51471151    -10.61286003
  O     19.20089507      6.95148852    -12.51735444
  H     16.34967544      8.16099650    -12.08546597
  H     18.18004438     11.41088875    -13.49283485
  O     19.86277902     10.87932461    -16.84524536
  H     17.47975402     12.95244705    -14.95292831
  H     18.54153994      9.99523104    -13.97560856
  O     18.11671139      9.08427855    -15.46601196
  H     16.21662508     12.15030736    -14.56066973
  H     13.43721214     10.86636351    -12.37048283
  O     16.28983454     11.40244026    -17.64261779
  H     20.56736174      7.24177241    -13.54034124
  H     14.13251719     12.23863460    -12.39979867
  O     17.73299519      9.03111513    -11.30840018
  H     22.06188407      6.95530558    -13.81698089
  H     18.89543498      8.77860825    -18.70659478
  O     15.85241153     10.66942362    -10.14675062
  H     16.40966372      8.80128865    -15.26893879
  H     20.22042865      8.55696515    -19.48013486
  O     18.73571398     10.64937024    -13.28604122
  H     15.41023267      8.27382130    -14.20895725
  H     14.19162875     11.47744529    -14.50698933
  O     13.48024723     11.69695840    -12.86066715
  H     20.35384981      7.05052309    -15.73022419
  H     14.93978593     10.32282221    -15.21614777
  O     19.86206223      8.67964114    -18.60565800
  H     19.87929611      7.45605161    -17.17309780
  H     18.78029293     13.87433997    -17.02293061
  O     14.78554665     11.27754420    -15.24477022
  H     16.66600712      5.95857247    -16.54590954
  H     18.96293197     12.37111750    -16.70882125
  O     18.36593295     13.13118951    -16.59231756
  H     18.16901270      5.88494142    -16.18869461
  H     16.61290288      8.33436427    -18.36919789
  O     17.20469212      9.00978615    -18.71736014
  H     18.79088368      7.62446412    -11.95846195
  H     16.85876430      9.86136660    -18.41015466
          69
 Energy    -250.53873637682463     
  O     12.64793452     13.63717567     -9.64765773
  H     12.91541348     14.25193176    -10.35455887
  H     15.94658779     14.88788409    -14.98726581
  O     16.36261988     12.69918040    -17.21103578
  H     12.08572801     14.13064379     -9.05611524
  H     13.05907444     13.64304473    -14.10851502
  O     15.62069532      8.85661334    -11.35942166
  H     16.41109707     12.95743467    -18.12737432
  H     12.00683769     14.68019408    -14.56492926
  O     16.20555277     16.33410851    -11.06039131
  H     16.00066550     13.46070408    -16.72265438
  H     20.31887163     12.58887094    -10.86709076
  O     15.12345956     10.70967167    -15.69434347
  H     15.77387085      8.14784043    -11.99569757
  H     19.43912414     13.00301598    -12.07260551
  O     16.10145619      7.20173861    -13.60306652
  H     16.35084880      9.48275280    -11.48385953
  H     12.26138787     11.78424432     -9.99451540
  O     15.77819477     12.61419488    -12.17929292
  H     16.69676983     15.64945305    -10.57114972
  H     12.96879489     10.48519472     -9.57382413
  O     13.07206219      9.65294440    -12.41591743
  H     16.45161963     17.17307057    -10.68049258
  H     17.96396990     12.17830011    -16.26783190
  O     17.40673964      9.59439143    -14.53048852
  H     14.58906202     11.22962540    -15.07826635
  H     18.41374854     10.99890035    -15.38680227
  O     19.28248811     13.62498412    -13.64290534
  H     15.49766230     11.33237070    -16.33033527
  H     14.26124950      9.07394160    -15.26471338
  O     13.63085884     12.02204725    -13.72972413
  H     15.29869500      7.50325853    -14.06684685
  H     13.41678173      8.69325245    -14.03087810
  O     15.35611641     14.72497355    -15.73695805
  H     16.20682715      6.27665405    -13.80697842
  H     14.89644455      9.31677474     -8.23824371
  O     12.90572801     14.59269721    -14.25708110
  H     16.44676202     11.91709913    -12.19727936
  H     15.04653947      9.43631802     -9.77081915
  O     19.41865114     12.60748719    -11.18028829
  H     15.54135992     12.73035999    -11.25079402
  H     16.78789139     13.70500963     -9.50182062
  O     12.22081288     10.82407693    -10.08119095
  H     13.94717453      9.40425589    -12.08975840
  H     18.15175369     13.74574551    -10.23013693
  O     18.68234537     11.86991136    -15.70232227
  H     12.60076675     10.01709393    -11.65219832
  H     17.76366644     10.32503804    -12.88763807
  O     13.92492049      8.31893989    -14.76310718
  H     16.61689846      9.99558316    -14.92451338
  H     18.36152207     11.18799825    -11.70172644
  O     14.73040789      9.89793230     -8.97641527
  H     17.14950027      8.69974758    -14.28082897
  H     14.43079637     15.71063388    -11.44029404
  O     17.49393097     14.29861497     -9.79272101
  H     19.16904707     13.02661078    -14.39534753
  H     13.40551907     15.18621003    -12.48937926
  O     17.64478836     10.59807389    -11.96617760
  H     18.50634243     14.19980672    -13.63609730
  H     14.36837412     13.03165016     -9.37236075
  O     13.55758979     15.31475799    -11.54607053
  H     13.28133089     11.22047227    -13.31989211
  H     15.16388991     11.71368794     -9.19126090
  O     15.25542676     12.64921714     -9.40948931
  H     14.39301672     12.28451059    -13.18899209
  H     16.45735957     14.08840296    -13.00198743
  O     16.80414347     14.90768889    -13.38715702
  H     14.46696316     14.77214694    -15.36914571
  H     16.68259647     15.57997500    -12.70718069
          69
 Energy    -250.53851504952564     
  O     11.18882103      8.21259454    -15.51003626
  H     11.52388465      7.73430389    -14.74598343
  H     19.34429555      9.84633894    -15.37708880
  O     15.88523798      8.39635960    -11.02658322
  H     11.06407436      9.13318000    -15.23144444
  H     16.05136654     11.53824285    -10.43821056
  O     15.46739784     12.35667709    -14.38973585
  H     16.39731863      8.19123313    -11.81939486
  H     17.35804454     11.29421538     -9.64399753
  O     12.26302941      8.72983824    -17.95249106
  H     16.20428990      9.25531812    -10.72547337
  H     16.30528394     11.52808852    -17.33104305
  O     13.73777033     10.23925541    -13.86729492
  H     15.46548544     12.11239581    -15.32614147
  H     15.24968743     10.44620482    -17.00815350
  O     13.90796697     13.97680568    -12.82416998
  H     16.22695007     11.92647228    -13.97106249
  H     11.18036614     11.58799919    -14.26151044
  O     13.29977570      7.61939421    -10.83227946
  H     11.86006423      8.47954302    -17.10152463
  H     11.63443211     11.32033195    -15.75468876
  O     17.67595468      8.58631089    -17.78533497
  H     11.69897850      8.37986908    -18.63673239
  H     13.85576626     11.66216906    -10.68632052
  O     12.68460311     10.38304856    -11.31038169
  H     12.89667447     10.44661577    -14.29950271
  H     14.35343303     13.01039229    -11.24120467
  O     19.08684417      7.93914510    -15.56686762
  H     14.33458516     10.98229081    -14.01607052
  H     12.66074723      7.00608215    -12.44116060
  O     17.16141521      8.17076997    -13.53566694
  H     14.47520228     13.47566526    -13.43428366
  H     12.03065444      5.79940433    -13.16634876
  O     19.23596062     10.80533428    -15.35517564
  H     14.01759375     14.89872915    -13.04324919
  H     12.43602270     10.65371026    -17.65698668
  O     16.87737992     11.02118704    -10.42044664
  H     13.20613790      7.20226099     -9.97953909
  H     13.52334817     11.66980054    -17.26714987
  O     15.41739695     11.39892982    -16.97447611
  H     14.23545177      7.88312178    -10.90882352
  H     17.38644870     11.04506330    -12.20558855
  O     11.28111164     10.91470887    -14.94871921
  H     17.84607627      9.52220042    -17.94667257
  H     17.34080785      9.97150276    -13.31599966
  O     14.54126068     12.33626794    -10.57785056
  H     16.71721685      8.50373742    -17.68673457
  H     14.86504394      8.25148472    -16.30846295
  O     12.40112039      6.66706415    -13.31229834
  H     13.09477153     10.33694753    -12.18880999
  H     14.06228756      8.60778943    -17.58259268
  O     12.56770484     11.54117611    -17.29949766
  H     12.71426685      9.48068554    -10.97944127
  H     12.17731827     13.11770717    -12.76695345
  O     17.47675558     10.91741641    -13.15790003
  H     19.76717968      7.30406282    -15.77308554
  H     11.62548401     11.85115443    -12.09316988
  O     14.94525322      8.63539784    -17.19280174
  H     18.58573004      8.09215412    -16.38850662
  H     18.54744234     11.28896141    -16.88868540
  O     11.40346922     12.54208476    -12.73015164
  H     16.31397304      7.95079995    -13.95035376
  H     18.68856210     11.99371534    -18.25964035
  O     18.11191419     11.43294213    -17.74822716
  H     17.85408370      7.98209328    -14.18041659
  H     14.35268291      8.68420868    -14.31745146
  O     14.64901901      7.79379899    -14.57343071
  H     18.73492607     10.99207888    -14.55060719
  H     13.96705138      7.19700450    -14.24886374
          69
 Energy    -250.53619549824435     
  O     -1.21801934      2.21682241     -1.78895592
  H     -0.48943293      2.82718034     -1.62942402
  H     -0.40534400      4.36081989      5.37047343
  O      0.95941017      3.93952761     -1.05761026
  H     -0.83315768      1.32946832     -1.78811532
  H     -1.60945046      0.15893366      3.39060835
  O      3.82230213     -0.28891670      3.06756523
  H      1.71477107      3.35436300     -0.87031341
  H     -2.61234576      0.81189290      4.37548636
  O      0.75082729      1.04011553      1.01725189
  H      1.28898605      4.64576966     -1.60730188
  H      0.30163958     -0.00565719      2.37638634
  O     -3.48571712      2.26235446     -0.32549922
  H      4.03801484      0.55545021      2.65542788
  H      0.64538906     -0.17577507      3.86735111
  O     -2.49354806      3.05798547      2.17158366
  H      3.58830398     -0.89477861      2.35392237
  H      3.56434536     -2.93310135      0.96148581
  O     -0.03734184     -0.27815192     -1.30564701
  H      1.60054754      1.23320094      0.60435768
  H      2.14840119     -2.34758639      1.15679055
  O     -3.22683219     -0.33241967      0.89058151
  H      0.38293660      1.90173600      1.25082983
  H     -2.32978585      3.23949104      5.28979124
  O      2.97124592      2.22941736     -0.35966841
  H     -4.21371691      2.53019400     -0.87971954
  H     -2.27148042      3.87820703      3.89038857
  O      4.16321413      2.45462884      2.17590331
  H     -2.68861818      2.26798014     -0.88555662
  H      1.60262652      3.77882070      4.39081238
  O     -1.72689429     -2.27042476     -0.26148848
  H     -2.47593984      2.19905427      2.62075354
  H      1.32973531      3.47837253      2.90328003
  O      0.49571463      4.42843282      5.73540254
  H     -2.92968264      2.90806039      1.32373582
  H      2.65390143      0.25301196      4.33094296
  O     -2.47879360      0.58441371      3.44788238
  H      0.15286904      0.13820676     -0.45040942
  H      1.91486280      1.60536237      4.39564042
  O      0.03260239     -0.47267701      3.18328485
  H     -0.60529469     -1.03220720     -1.10720711
  H     -1.57523176      1.50858285      6.34721684
  O      3.07689561     -2.11300459      0.98089302
  H     -3.37769304      0.50297076      0.43336338
  H     -3.00772224      1.27328556      6.88315570
  O     -2.03206897      4.02530871      4.81329523
  H     -3.09373367     -0.10729843      1.82051577
  H      0.32365137      2.65882434      6.50885499
  O      1.96529920      3.32617231      3.61908843
  H      3.51384572      2.30351229      0.43483605
  H      0.78873207      1.23474669      6.16242326
  O      1.94723398      0.72564659      4.79561175
  H      3.09000768      1.34741892     -0.74784499
  H      2.96424418     -0.97575475     -0.49902861
  O     -2.51808298      1.51335239      6.10129306
  H      4.96418033      2.87686124      2.47827167
  H      1.87777660     -0.42326074     -1.44514835
  O      0.12642942      1.72734244      6.66576571
  H      3.44001758      2.81193282      2.71787963
  H      0.27947879      3.93858813      0.70161450
  O      2.80839166     -0.33152288     -1.20199799
  H     -2.29706406     -1.60554037      0.16553665
  H     -0.83414078      3.58096724      1.76216534
  O      0.11744354      3.68376061      1.61828605
  H     -2.30515466     -2.94433747     -0.60816714
  H      0.26313759     -2.04267110      2.23414486
  O      0.47734661     -2.66264812      1.52307868
  H      0.52408723      5.23200685      6.24772687
  H     -0.26552702     -2.62806214      0.90952444
          69
 Energy    -250.53598483858860     
  O     16.49463127      5.47347969    -12.28639924
  H     17.07194610      6.05321638    -11.76868073
  H     21.32634845      7.34052855    -12.41774296
  O     17.08532259      9.91751409    -11.42073996
  H     15.58604498      5.60607457    -11.97974972
  H     16.15379406     10.13815915    -15.96492368
  O     17.56897743      9.05027686    -15.60227855
  H     16.34982008      9.97640937    -12.04682811
  H     15.45409887     11.39753049    -16.52373528
  O     14.24924075      5.97577647    -15.92117996
  H     16.72507330     10.11114812    -10.54631606
  H     16.19102452      6.76177978    -13.54131560
  O     13.45715271      9.00561086     -9.26753200
  H     17.01773635      8.39336518    -15.14809576
  H     15.28671575      6.91923814    -14.79155534
  O     13.92514647      6.09929636    -11.48003368
  H     18.15632594      9.42317751    -14.92708123
  H     10.48470123      8.04631741    -14.48603282
  O     15.04765179      9.82555476    -13.29511859
  H     13.94707140      6.80591262    -16.32025515
  H     11.69500406      7.13824784    -14.16544141
  O     18.76286018      7.08800414    -17.10162768
  H     15.02648216      5.64749563    -16.39507185
  H     16.50587599      8.34683979     -8.56118352
  O     14.19252038      6.28220537     -8.69636884
  H     13.13659611      8.97457067    -10.17934945
  H     17.26529873      7.25754842     -9.33784150
  O     19.69635650      5.90279605    -14.68196966
  H     13.55289775      8.08695193     -8.98847146
  H     12.91700176      5.54370484    -13.05021172
  O     17.62173962      4.00423859    -14.30258566
  H     13.94331305      6.03284893    -10.51666199
  H     13.06758937      5.55139427    -14.59686677
  O     20.39866062      7.46495719    -12.59859362
  H     13.61097114      6.99188437    -11.68122447
  H     18.47451586     10.03765913    -12.72496636
  O     15.31159015     10.62251093    -15.98627872
  H     15.03729697     10.33577834    -14.11201853
  H     19.61994758      9.11645695    -13.18234821
  O     15.88836795      7.39380975    -14.20213089
  H     15.29645669      8.92393275    -13.56008839
  H     17.71276501      8.22196574    -11.18647047
  O     11.41756393      8.06492734    -14.28874162
  H     18.36842636      7.86053679    -16.66350043
  H     18.94175583      7.32219740    -11.46340710
  O     16.66845008      7.39566206     -8.59093456
  H     19.19104291      7.40638205    -17.89214327
  H     15.83244587     10.84343383     -8.24162588
  O     12.42042012      5.58112240    -13.87580354
  H     15.10827775      6.60635365     -8.62208845
  H     14.98077273      9.81196455     -9.02001311
  O     19.06995957      9.85800703    -13.46415872
  H     14.03259093      5.72867811     -7.93706034
  H     17.38044867      5.74018724    -17.02112990
  O     18.08073387      7.34006557    -11.02771001
  H     19.06636218      5.18453011    -14.54554469
  H     16.99191929      4.65443958    -16.00251054
  O     15.88689660     10.14530436     -8.88852315
  H     19.48338148      6.28448460    -15.54189306
  H     12.27161798      8.54837267    -12.70360104
  O     16.69384043      5.09833267    -16.80671216
  H     17.62213429      3.07122443    -14.10334067
  H     13.62868225      9.20969690    -12.39378829
  O     12.91031976      8.69730029    -11.99567297
  H     17.18608096      4.44856199    -13.55585680
  H     12.68429916      8.52974652    -15.72303606
  O     13.33461796      8.51531055    -16.43669005
  H     20.17917259      6.88930505    -13.35338327
  H     13.91745102      9.27056008    -16.30361512
          69
 Energy    -250.53562355855371     
  O     -3.93135894     -0.61852778      2.89536089
  H     -3.57704450      0.04530208      3.50189596
  H     -2.80465809      3.32660906     -0.60004984
  O      0.51991006      2.77804464      3.14359208
  H     -3.18303825     -1.00202908      2.41588532
  H     -5.95069314      1.82429951      0.57944800
  O     -1.79231126     -1.45697653      1.33126812
  H      1.07084843      3.50390011      3.42707072
  H     -7.30349821      1.99056936      1.29741758
  O     -4.47016930      1.69451293     -2.79375141
  H     -0.36555860      3.14612960      2.99083741
  H      1.02201663      1.41441635      1.89904563
  O     -2.47305631     -0.36333860     -2.68820911
  H     -1.03713012     -1.63651169      1.90488550
  H      0.58939765      0.62677476      0.63594354
  O     -4.40134962      0.90743360      0.64107783
  H     -1.51599633     -0.74509621      0.73723601
  H     -5.21318290      3.45093417      3.69705212
  O     -7.68030826      1.39890313      3.01024346
  H     -5.33688035      1.32578423     -2.58900936
  H     -4.67995150      2.15534938      4.33658036
  O     -7.08050231      0.85206564     -1.90234477
  H     -3.82980621      0.97287883     -2.76292511
  H     -2.80885888      4.19008640      2.80900168
  O     -2.91002293      1.49463858      4.36297378
  H     -2.76763646     -1.10171806     -2.12411524
  H     -2.15536868      3.30897638      1.72181649
  O     -3.84681076      4.16105685     -1.89105671
  H     -2.14471791     -0.75161607     -3.49533062
  H     -4.83702940      4.93561712      1.96849117
  O     -5.79478822     -1.25544965     -0.49300223
  H     -4.73861380      0.19136642      0.08782050
  H     -4.71792122      5.88158753      3.18668935
  O     -2.47440506      2.73434959      0.08478759
  H     -4.25442165      0.50751682      1.50899772
  H     -7.04425483     -0.35350604      2.45536268
  O     -6.83643865      2.20875722      0.48109027
  H     -8.40082036      1.47081500      3.63019145
  H     -5.70106395     -1.09738875      2.53084390
  O      1.20129400      0.61753749      1.38450842
  H     -6.90469963      1.80964865      3.43448978
  H     -0.09969155     -0.24093286      4.25676469
  O     -5.48973168      2.59848087      4.05346036
  H     -7.91447919      0.96788040     -2.35053439
  H      0.05131603      1.28712935      4.30681063
  O     -2.06937188      3.59224760      2.64506391
  H     -7.11865875      1.38989226     -1.09325719
  H      0.86723550     -0.78637978      2.36986253
  O     -4.47897825      5.01410351      2.87099082
  H     -2.64640335      2.20382628      3.76180246
  H      1.23825012     -2.12673335      3.05206342
  O     -6.58450065     -1.13807105      2.13637802
  H     -2.08283231      1.09540471      4.66986635
  H     -4.19927334     -2.08450185     -0.79583368
  O     -0.36586072      0.54087135      4.75524071
  H     -3.61306124      4.72225275     -2.62513884
  H     -2.80103895     -2.19927316     -0.12834569
  O      0.52407735     -1.50722056      2.92951530
  H     -4.09231431      3.29505221     -2.26563313
  H     -1.29829270      0.23271701     -1.30908423
  O     -3.26671125     -2.27850962     -0.96998984
  H     -6.36813242     -0.71203473     -1.04398922
  H     -1.35552141      1.38404133     -0.28992513
  O     -0.90651992      0.54923101     -0.48680390
  H     -6.18028973     -1.29293819      0.39768154
  H     -6.09195679      3.91482206      0.38814057
  O     -5.50078124      4.67934935      0.38436053
  H     -3.18102587      2.08926881      0.25704286
  H     -4.96930869      4.59989531     -0.41654003
          69
 Energy    -250.53553895598628     
  O     12.39678431      9.89290110    -10.41544887
  H     12.95491020      9.72944359     -9.64512617
  H     16.12594397      4.15617818    -13.03409037
  O     15.28618562      5.70130255    -10.20088533
  H     11.76957966      9.16172594    -10.44091176
  H     15.29250242      8.42344459    -11.93851631
  O     12.83064462      2.24815350    -10.33651111
  H     15.17112395      4.91987863    -10.75876742
  H     15.05968731      6.94342124    -11.50595472
  O     14.05992652      9.16914151     -8.17879509
  H     16.22661689      5.84748497    -10.03784105
  H     11.94104066      9.57162775    -15.31345130
  O     13.80331003     10.86005151    -12.60400334
  H     12.49000649      2.90698007     -9.70453080
  H     12.39430600      8.61902425    -14.18165909
  O     14.65268942      3.65360998    -11.93269873
  H     12.82094802      1.40683463     -9.88845826
  H     18.71868563      6.23548924     -9.51631509
  O     10.96672118      3.38602508    -12.21186013
  H     14.12141714      9.70698138     -7.39396525
  H     18.09614202      6.61973965    -10.88032410
  O     16.26926153     10.01182798    -11.85531885
  H     14.95949905      9.10980661     -8.54785463
  H     16.78336995      8.66590814    -14.59928845
  O     11.73699529      4.15647777     -8.74840148
  H     13.40558122     10.46828779    -13.38656671
  H     18.11307775      9.39446664    -14.89855385
  O      9.56385400      4.93787450    -10.47132498
  H     13.25652480     10.58387294    -11.85105627
  H     13.89104460      6.25227953     -9.25488490
  O     11.01666700      7.34688578    -10.46659538
  H     14.02883078      4.05929274    -12.55227145
  H     13.38773264      7.45768227     -8.42972972
  O     16.69272025      4.62858542    -13.65705726
  H     14.13193747      3.05911312    -11.37786084
  H     16.52680954      9.46939824    -10.14070935
  O     14.86767286      7.59414926    -12.19073564
  H     11.55596663      2.86436195    -11.65297434
  H     17.04406530      8.20032576     -9.42764444
  O     12.70617832      9.27991787    -14.82480103
  H     11.53360467      3.81010595    -12.86907299
  H     18.12463029      7.44433339    -13.13353165
  O     17.91922260      6.55692947     -9.92346157
  H     16.81255722      9.83678207    -12.63108382
  H     17.75676823      5.94166031    -13.00224042
  O     17.59664017      9.00809781    -14.19529808
  H     15.45389568     10.45243747    -12.14731092
  H     11.69016977      7.37296963    -12.12805325
  O     13.11941329      6.60067402     -8.78316392
  H     12.22462394      4.97787426     -8.60000348
  H     13.15575232      7.51802087    -12.59533772
  O     16.51619209      8.99548173     -9.29643580
  H     10.91634298      4.41268349     -9.18647466
  H     14.37233466      8.45782970    -15.04633562
  O     18.25438064      6.66310271    -12.58775272
  H     10.00307496      4.39563099    -11.15081121
  H     15.13037655      7.67454472    -13.94788015
  O     12.24960938      7.37845280    -12.91537404
  H      8.64707988      4.67671910    -10.46124351
  H     14.95794063      6.24986864    -15.56489072
  O     15.14723169      7.90151008    -14.89341725
  H     10.38929791      6.61378400    -10.45849714
  H     14.92146505      5.19654275    -16.69849730
  O     14.81409176      5.30837744    -15.75730499
  H     11.74534318      7.08360300     -9.88411264
  H     12.58531164      5.69249791    -13.51075386
  O     12.85395929      4.79840693    -13.76696280
  H     16.15249533      4.75717894    -14.44400878
  H     13.42726713      4.88614007    -14.53735496
          69
 Energy    -250.53481463135552     
  O     17.10519500      8.06185646    -15.74007125
  H     16.35504997      7.46027447    -15.61285684
  H     20.32457246      5.16966088    -14.29856087
  O     20.33507069      6.39428447     -9.84037903
  H     17.75889124      7.58983309    -16.27205511
  H     18.13718228      3.25862483    -13.10294396
  O     15.16365030      9.07317301    -10.23615752
  H     21.06488747      6.48428425     -9.23377257
  H     18.87057015      4.39266518    -12.35461751
  O     13.68768466     10.08856168    -13.92683004
  H     19.83992362      7.23358739     -9.80817902
  H     16.69932991      9.67530973    -15.06506811
  O     18.90570527      6.37102709    -17.04095701
  H     15.87929915      9.35362260    -10.82385929
  H     16.72954510     11.21727880    -15.12857511
  O     12.40444293      7.27629034    -11.96530168
  H     14.35512129      9.50653147    -10.53408622
  H     17.24499151      6.71531580    -12.93221595
  O     18.18488799      4.52487889     -9.54429205
  H     13.41139526      9.24671991    -14.30961433
  H     17.77680765      7.61187989    -14.07868867
  O     14.62626866      6.36497139    -10.48098886
  H     14.60664372     10.23001406    -14.18233944
  H     12.56294494      7.33966451    -13.69439492
  O     20.08805863      5.76264756    -12.55068542
  H     19.42234488      5.87352699    -16.38133432
  H     11.84656227      7.37018781    -15.06540783
  O     15.97484988      5.37384532     -8.24574712
  H     19.44527667      6.42624501    -17.82512663
  H     16.08023932      8.57152620     -8.67098971
  O     15.98383715      5.45971438    -12.69046916
  H     13.06063264      6.81549930    -11.42653871
  H     16.46875801      7.23541313     -8.01069282
  O     20.17142021      4.84456312    -15.19590541
  H     12.40275043      8.19049366    -11.65487735
  H     17.66277776      3.27808695    -15.45783548
  O     18.14635646      3.75396415    -12.27438602
  H     18.93342827      5.13311891     -9.58427633
  H     18.22970110      1.85239121    -15.26545289
  O     16.43604091     10.48308621    -14.59380078
  H     18.13879834      4.09455267    -10.40663972
  H     18.18449375      8.50997102     -9.05301804
  O     17.93997527      7.34786836    -13.16498988
  H     14.83974243      7.30768860    -10.40849654
  H     18.48779245      9.20173618    -10.39902580
  O     12.69550402      7.49144607    -14.64803894
  H     14.97158838      5.94521636     -9.68340595
  H     17.57553774      8.84610215    -12.25903611
  O     16.71313324      8.16679407     -8.06163798
  H     20.34483454      5.95658788    -11.64095709
  H     17.01698432     10.19206082    -12.71664784
  O     18.23174277      2.72876608    -14.88972685
  H     19.40517508      6.41236355    -12.78092921
  H     15.36888289      5.89315212    -14.29945879
  O     18.88069174      8.65541011     -9.71241930
  H     15.79663698      4.78882946     -7.51466186
  H     14.24303847      6.61448809    -15.08936027
  O     17.28607281      9.71065134    -11.92758850
  H     16.77753322      5.03886467     -8.68491287
  H     17.48367546      5.05382132    -16.83005019
  O     15.11876450      6.22009990    -15.17789115
  H     16.62834926      4.77314276    -12.47516022
  H     16.12033462      4.95967190    -16.12152185
  O     16.83427409      4.42502915    -16.49351913
  H     15.49917612      5.70302853    -11.88967735
  H     12.20564044     10.78535793    -11.20097056
  O     12.79935911     10.05975180    -11.37202538
  H     19.64770928      4.03994216    -15.09967498
  H     13.11069773     10.15661117    -12.29045872
          69
 Energy    -250.53306749121617     
  O     14.72983781      4.18795212    -10.14835668
  H     14.87165021      3.34482721     -9.70039342
  H     15.27177022      6.83480699    -16.45761096
  O     12.42543168      3.89456941    -11.69790905
  H     13.93335721      4.07259202    -10.68829927
  H     16.40405432      4.84770000    -15.52243538
  O     16.99358504      3.98818196    -11.79750522
  H     12.80962273      4.14783755    -12.55240715
  H     17.30012185      6.10628315    -15.56698159
  O     18.74731398      6.90062342    -14.61615481
  H     11.89664777      4.64347766    -11.39922532
  H     14.55325689      8.66230652    -10.38111623
  O     11.53922477      7.94060015    -12.98473923
  H     16.20180005      4.09807811    -11.25130616
  H     15.78713872      9.46445793    -10.86184674
  O     13.40987278      1.26084269    -11.69130583
  H     17.44474666      4.84091888    -11.79548189
  H     15.05835185      7.64073582    -13.32971260
  O     15.13671302      1.50132645     -9.38816356
  H     18.47273548      6.74921296    -13.69630198
  H     14.64115752      6.98963826    -11.96051465
  O     17.78767647      9.54080426    -13.91967496
  H     19.64329241      6.58046454    -14.69125747
  H     14.34407555      6.02689607    -10.01545153
  O     17.67195488      9.32985168    -11.21455785
  H     12.03329988      8.76601280    -12.94327919
  H     13.02043475      6.76298741    -10.33584335
  O     13.74415551      4.71671551    -13.93642027
  H     11.73035463      7.53766260    -13.84474619
  H     14.56511088      0.91396137    -12.96819448
  O     15.10975789      9.09707202    -14.45487409
  H     12.90937438      2.08737998    -11.70961723
  H     15.07470017     -0.06537802    -14.04986452
  O     14.62292122      7.51899919    -16.70337373
  H     13.86749086      1.24893195    -10.84202802
  H     10.45477771      6.52307306    -10.42482494
  O     16.50732384      5.70827677    -15.94642531
  H     15.29337561      0.95612820     -8.62234589
  H     11.31609915      6.91870707    -11.65012498
  O     14.82971786      9.51008637    -10.75475771
  H     15.86741434      1.33166540    -10.00974890
  H     16.79216676      6.63468547    -12.36449930
  O     15.08823766      6.83212476    -12.80221793
  H     18.20740263      8.76595211    -14.31002961
  H     17.83455952      7.47314625    -11.60261818
  O     13.97083492      6.89521083    -10.21735123
  H     16.85369060      9.48564354    -14.17214891
  H     15.87166516      2.39563584    -14.28434387
  O     15.29233982      0.74290384    -13.59330332
  H     18.28210498      9.92337173    -10.78462706
  H     16.46409997      3.59800182    -13.52527766
  O     11.28241374      6.34396207    -10.86191404
  H     17.74528903      9.49575930    -12.17226515
  H     17.21436770      2.16475804    -11.48699014
  O     17.71839282      6.63732199    -12.06869799
  H     14.45035086      4.12139928    -14.21253509
  H     16.56614109      0.92895685    -12.13211214
  O     16.11191624      3.32530784    -14.38525318
  H     14.19534203      5.49469494    -13.57228360
  H     12.65304951      5.85310677    -14.92935598
  O     17.02009192      1.22869468    -11.33498192
  H     14.36555023      9.57604799    -14.06937881
  H     12.96837112      6.98917033    -15.90093826
  O     12.27786208      6.65611187    -15.31670058
  H     14.83603026      8.67357060    -15.27908430
  H     13.76853193     10.05286617    -12.03068712
  O     13.19772106     10.26472259    -12.79175679
  H     14.71302859      7.65532743    -17.64266231
  H     12.87893837     11.15338210    -12.65920145
          69
 Energy    -250.53244586339571     
  O     16.57939212      9.24437404    -16.81390884
  H     17.12900201     10.03611724    -16.75475101
  H     16.85763324      5.59332238    -11.50993927
  O     15.26916779      4.71596644    -12.05407798
  H     17.13240001      8.55089111    -17.19937496
  H     20.06830123      8.86305074    -15.41001536
  O     17.03195927     13.83410201    -12.09064247
  H     14.52174982      5.33813942    -12.11446104
  H     19.63630327      8.51549070    -16.84460674
  O     19.59614262      8.16467304    -13.78151173
  H     14.93988155      3.92955032    -11.62740017
  H     16.72144987      8.44593626    -15.15421159
  O     16.40119008     10.98499300     -8.96253286
  H     17.06144834     14.68664293    -12.51681778
  H     16.61428496      7.04192325    -14.48957675
  O     15.10543477      8.68353416    -12.37777013
  H     17.15616357     13.16677017    -12.78656278
  H     14.80589639      9.39119889    -16.19642515
  O     17.35350902     11.71737470    -13.83359873
  H     18.64439117      8.11205770    -13.96869102
  H     14.07055095     10.01150671    -14.98282140
  O     19.66257137      5.44628914    -13.14362577
  H     19.85358443      7.26959352    -13.53302918
  H     16.23521023      8.62901050    -11.03264829
  O     13.34185375      6.55388270    -12.48413902
  H     17.17085607     11.46970019     -9.31035571
  H     16.77444292      9.31223255     -9.75782774
  O     18.38212550      5.28693032    -15.72697292
  H     16.32957340     11.21122027     -8.03880192
  H     13.54755716      7.67263900    -15.44390252
  O     15.77751668      5.40734439    -14.74889690
  H     15.73823033      8.38730003    -13.04917191
  H     12.64443998      6.52984304    -15.95549377
  O     17.70495353      6.03279123    -11.36800326
  H     14.81073798      9.55482090    -12.66926358
  H     18.76527496     11.55046237    -10.81427030
  O     20.06136921      9.20249811    -16.31644299
  H     17.82184888     11.12059610    -13.23109660
  H     18.08488708     12.93102021    -10.77018140
  O     16.89517035      7.95475044    -14.34125646
  H     17.75947883     11.64081599    -14.70482067
  H     18.14645437      9.56513003    -11.45845341
  O     13.99491494      9.34146644    -15.67358892
  H     18.97175075      5.63439178    -12.48173238
  H     19.22247987      9.48113149    -12.56710790
  O     16.97229940      8.62086532    -10.40102052
  H     20.27635342      4.84280621    -12.73408562
  H     15.20423628     11.81469373    -10.31302393
  O     13.34938406      6.72437358    -15.34355704
  H     13.15098307      6.57001065    -13.42971155
  H     15.49190809     12.95868916    -11.29483372
  O     18.47313542     12.24725982    -10.21002208
  H     13.85854115      7.35740618    -12.32210259
  H     18.43838565      6.54015865    -16.94110389
  O     18.72212865     10.10141943    -12.02178071
  H     17.45767102      5.14986524    -15.47684514
  H     18.57162478      6.82249041    -18.45291662
  O     14.81468752     12.32135506    -11.03462318
  H     18.88106044      5.28742469    -14.90143206
  H     14.46415800     11.59273750    -12.67878889
  O     18.42514399      7.24645712    -17.61131112
  H     14.93547817      5.78599619    -15.03537012
  H     15.53427296     11.32956660    -13.74951512
  O     14.60878598     11.15232173    -13.52969705
  H     15.64119209      5.05839321    -13.85839333
  H     18.76326792     12.00476332    -17.00631693
  O     18.44001898     11.34751925    -16.39606816
  H     17.51654357      6.87077888    -10.92807175
  H     19.10602930     10.63612087    -16.36687819
          69
 Ord_Energy   -250.530670    
 O    5.32842207      -1.29105163       4.56584501    
 H    4.89500093      -1.65074074       5.35004044    
 H    4.95867205      -1.75817835       3.80250430    
 O    2.41422200       1.91272652       9.75256920    
 H    3.31779695       2.03952050       10.0932913    
 H    1.82668149       1.98068857       10.5002251    
 O    3.83402109      -2.46530533       2.59614706    
 H    3.43112063      -1.70652866       2.15464616    
 H    3.17923880      -2.77769303       3.23361421    
 O    7.60607433     -0.413865268       5.78522730    
 H    6.91949797     -0.720232904       5.17482471    
 H    7.98920679      0.408288151       5.45627975    
 O    2.55932474      -3.25616114E-02   1.76058447    
 H    1.88637125     -0.217260793       2.44118643    
 H    2.09214759      0.251054227      0.979772687    
 O    4.98536348       2.13794208       10.5940437    
 H    5.42855263       1.27942312       10.5576811    
 H    5.60442924       2.77756786       10.2236643    
 O    5.13000870       3.47213674       7.08930492    
 H    5.30457783       2.52336264       7.18583012    
 H    4.17302799       3.60021996       7.15995693    
 O    2.40588450       3.52233958       7.35327101    
 H    2.12433958       2.90977716       6.66056108    
 H    2.28748417       3.05663896       8.19031048    
 O    5.67820549      0.772104800       7.46674347    
 H    5.93219709      0.523366034       8.36505127    
 H    6.33684397      0.386763334       6.87678337    
 O    2.05190253       1.36773431       5.52241755    
 H    2.81060147       1.39964175       4.92260790    
 H    2.33386135      0.859982312       6.29658890    
 O    8.55110359       2.16587830       5.26816034    
 H    7.70406771       2.52856159       4.95084429    
 H    9.22899055       2.50492954       4.68983936    
 O    6.12955666       3.06154656       4.51640272    
 H    5.47146654       2.46653914       4.13436079    
 H    5.74489450       3.38812375       5.34122324    
 O    9.07021809      -1.31873600E-02   9.65588951    
 H    9.02135658      0.784411550       9.09767342    
 H    9.82162380       9.95074064E-02   10.2312422    
 O    8.77754688       2.20745754       8.15228653    
 H    8.13784027       2.83952594       8.50285912    
 H    8.71470928       2.24432254       7.19084835    
 O    5.88854265      -2.84602666       8.77046490    
 H    5.96262455      -3.66743851       9.25013638    
 H    6.77228308      -2.65623522       8.40461731    
 O    6.29999542     -0.265697420       10.0042439    
 H    7.26617384     -0.211978644       9.99949360    
 H    6.06327581      -1.15456688       9.71347237    
 O    3.05247498       5.00333793E-02   7.76549768    
 H    2.72813773      0.577939749       8.50524712    
 H    3.97333455      0.320209503       7.61845207    
 O   0.919286668     -0.594666243       3.84869432    
 H    1.14351547      0.101836301       4.48158026    
 H    1.21212149      -1.42607749       4.24055243    
 O    3.91097283      -2.34883928       6.79569483    
 H    3.48117805      -1.56538248       7.17259312    
 H    4.57629251      -2.62292504       7.43830395    
 O    4.22087431       1.14177799       3.73396087    
 H    3.72536802      0.878995597       2.94816637    
 H    4.63889313      0.335144103       4.06738710    
 O    8.30791092      -2.08833361       7.85578775    
 H    8.72232819      -1.47693110       8.47629166    
 H    8.15022755      -1.57066727       7.05193996    
 O    6.75787020       3.94656181       9.19410610    
 H    6.86756420       4.86905241       9.41110706    
 H    6.16569948       3.90847826       8.42184830    
 O    2.08021927      -3.04967093       4.82650137    
 H    2.70614910      -2.89103150       5.55098391    
 H    1.62003362      -3.85877156       5.03774071    
          69
 Energy    -250.52881915392157     
  O     10.71179239      9.60739846    -13.74811872
  H      9.79193516      9.65072213    -13.50138432
  H     15.82879731      6.04126834    -16.35651777
  O     16.59483969      7.38349402    -13.75460493
  H     11.20285895      9.35539252    -12.94522935
  H     12.91571018     11.52231667    -16.56112749
  O     16.85138756     11.76453334    -14.04491414
  H     17.29461455      7.97148551    -14.06566803
  H     12.87840053     12.07714851    -18.00344599
  O     15.89067441     11.01950154    -16.51229465
  H     16.47977939      6.65712821    -14.38179657
  H     15.09904246      9.68610560    -15.38272565
  O     13.36983913      5.67522348    -14.20375836
  H     16.59956604     11.72816352    -14.97785314
  H     15.29837964      8.51165856    -14.36943532
  O     16.86682087     11.20006799     -9.53640249
  H     16.01387363     11.69861491    -13.56237685
  H     12.40173157      7.88837657    -11.54535706
  O     15.61811685      7.47881337    -11.19470426
  H     16.47722983     10.46957019    -17.04342895
  H     12.80757191      9.30967781    -11.11289241
  O     14.33805323     11.28916139    -12.99520603
  H     15.07510700     11.19505004    -16.99922615
  H     20.64350706      9.12559075    -11.80922083
  O     17.90893382      9.18548869    -17.24689783
  H     14.18463143      5.51305638    -14.69142817
  H     19.14854795      9.01746270    -11.42882372
  O     17.97553842      8.63290722    -10.20110920
  H     12.90022931      6.37367386    -14.68132859
  H     12.76103647      5.39941874    -11.13707005
  O     15.82667044      7.23171994    -17.57330939
  H     17.38250399     11.52336375    -10.29640559
  H     13.24090100      5.93986348    -12.50536083
  O     15.87826099      5.43186570    -15.59642102
  H     17.04105448     11.79709561     -8.81366638
  H     17.81775718     10.20935348    -14.32435114
  O     13.30415311     11.42825837    -17.44981537
  H     14.81813262      6.93943737    -11.19723909
  H     18.96456590      9.34055794    -13.75902168
  O     14.66341808      9.15728220    -14.70303041
  H     15.98751220      7.41897880    -12.08868742
  H     17.91227716     11.99067858    -12.53270211
  O     12.11587404      8.81018604    -11.56258886
  H     14.36220456     10.49658707    -13.55577112
  H     18.98349939     11.12409241    -11.84386246
  O     19.76549740      9.34649152    -12.10781193
  H     14.35011515     10.96233688    -12.08736110
  H     12.89767008      8.26212462    -17.15537453
  O     13.17204174      6.15043288    -11.55637621
  H     18.71166558      9.26596873    -17.75654790
  H     13.33557582      9.54568232    -17.86823584
  O     18.35460642      9.42340439    -14.50423456
  H     18.16698048      9.23149053    -16.31157223
  H     14.91241757      9.12105431    -10.78441018
  O     18.38647149     11.86731649    -11.69916352
  H     17.62698552      9.44969704     -9.82331461
  H     15.22745890     10.46691848    -10.09987320
  O     13.43108811      8.58709441    -17.89380813
  H     17.20269162      8.10513657    -10.44245242
  H     12.96979537     11.76717500    -14.22670479
  O     14.52848487      9.98004100    -10.55309762
  H     16.53916660      7.87901178    -17.56012633
  H     11.68147471     11.01588688    -14.58077132
  O     12.31107085     11.66135073    -14.92535612
  H     15.00400433      7.70775166    -17.76191658
  H     11.60374839      8.43181731    -14.92912930
  O     12.29372455      7.95204565    -15.40098563
  H     16.19763920      4.59861471    -15.93077186
  H     13.12603370      8.39241322    -15.16059880
          69
 Energy    -250.52763985860372     
  O     17.55701862      4.77472191     -9.35518104
  H     16.60070448      4.67316081     -9.25404062
  H     12.18609005      5.50426954    -12.96014579
  O     18.04822299      7.13016362    -15.54637603
  H     17.75588242      5.64800438     -8.99751633
  H     15.39202720      6.09546347    -10.70444800
  O     13.58745618      8.20953064    -12.28850619
  H     18.41313050      6.77820004    -14.71403773
  H     16.46740548      7.02109681    -11.38217943
  O     16.55723739      9.44462798    -14.69087149
  H     18.77763851      7.20277180    -16.15596998
  H     18.07872972      4.12358896    -10.90702769
  O     18.06986226      7.86259043    -11.19693180
  H     14.33310301      7.65317681    -12.00899232
  H     18.87266647      3.01994334    -11.63990560
  O     18.97380531      6.18966639    -13.19087216
  H     12.82971532      7.62159095    -12.39700848
  H     13.85190520     11.03749802    -10.74368036
  O     11.39206379      5.77793622    -10.10609052
  H     17.13408245      8.73137991    -14.99054393
  H     14.04281457      9.61364324    -11.31647143
  O     12.98972344      4.62444173    -15.84758073
  H     15.66739294      9.17555716    -14.94353867
  H     15.03588133      9.20633778     -9.29696244
  O     17.76565644      7.49655279     -8.43376759
  H     18.12641220      7.83448733    -10.23561496
  H     14.47182379      8.03465343     -8.46825149
  O     11.53000442      7.10717356    -15.57720423
  H     17.78234371      8.75082117    -11.46406090
  H     13.92878862      8.23047318    -14.09257667
  O     15.57459125      5.81911013    -15.47925283
  H     18.84395828      5.32366901    -12.79075289
  H     14.56243484      7.31729151    -15.18597801
  O     11.64405294      6.29997614    -12.86208756
  H     18.76990891      6.83014871    -12.49305781
  H     16.16269783     10.35801067    -11.63733925
  O     15.60812830      6.59455939    -11.50244385
  H     11.71571176      4.87058963    -10.17207293
  H     16.84903229     10.02713171    -12.99164235
  O     18.29444688      3.76383390    -11.78574562
  H     11.29315142      6.07417325    -11.01971426
  H     12.39738816      6.55641140     -8.89905678
  O     14.44232423     10.28827769    -10.74114490
  H     12.40279768      5.38724418    -15.90893126
  H     12.56475438      6.83467163     -7.38922958
  O     15.26911243      8.55449027     -8.62473561
  H     13.88689901      4.97608606    -15.92641163
  H     15.79260528      5.23221715    -12.59085708
  O     14.02372943      8.11115422    -15.04865187
  H     16.87195495      7.88345468     -8.46152255
  H     16.69508098      3.99858713    -12.75606855
  O     17.01661607     10.19581855    -12.05166661
  H     18.20915166      7.88666155     -7.68532241
  H     14.23789254      5.53674117     -8.85057191
  O     13.03729694      6.82895836     -8.21805164
  H     11.01085018      7.61944645    -16.19124098
  H     14.14887767      4.29411423     -9.76997795
  O     15.88689592      4.40400698    -13.08851826
  H     12.38679035      7.55973953    -15.48646608
  H     12.51379470      2.39266519    -10.45557144
  O     14.76634435      4.92313172     -9.37664628
  H     15.72305330      5.26092423    -14.70324869
  H     12.85592268      3.43825534    -11.54087649
  O     12.75811762      3.30592222    -10.58228151
  H     16.42476580      6.24046694    -15.66141002
  H     12.99995971      4.00487661    -14.14827113
  O     13.18582547      3.93336315    -13.20083740
  H     11.40769716      6.57546248    -13.75618644
  H     14.14855403      4.00450371    -13.11781521
          69
 Energy    -250.52762264646373     
  O     15.95464925      7.98488893    -12.68681242
  H     16.57281271      8.29811158    -12.01530327
  H     16.23393442     10.18268988    -17.25215889
  O     16.54219116     11.82319255    -10.99102416
  H     15.81168530      8.73272823    -13.28936708
  H     16.08519048     10.84023445    -14.55653155
  O     16.78180060     12.43945698    -15.19624746
  H     15.69743795     11.82271352    -11.46613591
  H     15.10784402      9.83003044    -15.17333841
  O     12.83084218     10.24414763     -8.64023305
  H     17.18126104     12.26883365    -11.55901456
  H     11.64305921      9.89988522    -13.14687980
  O     13.43736158      7.42071188    -11.80692724
  H     15.90810386     12.84956131    -15.10311438
  H     11.68484761      8.76654181    -14.18991033
  O     14.20639755     11.63905520    -12.43934588
  H     17.32886690     12.70897780    -14.44965851
  H     16.92023314      7.83421335     -7.73068025
  O     16.46896319      6.82123761    -15.14430472
  H     13.74001004     10.59098549     -8.59301524
  H     15.71171042      8.02299411     -8.67739834
  O     14.03959963      7.66353417     -9.05606573
  H     12.36204355     10.60107319     -7.89084915
  H     12.83147162      6.84326274    -15.02974947
  O     18.55913805      8.65542993    -15.72274355
  H     12.96594744      7.11797327    -12.59014664
  H     11.51151334      6.25183850    -14.48883879
  O     14.07344132      6.78364272    -16.35321741
  H     14.35272431      7.58164920    -12.08651834
  H     18.72061172     11.78862642    -13.06708021
  O     19.02611913     10.09469552    -13.25691474
  H     14.57721219     11.06182529    -13.12462460
  H     19.22005277     13.23103476    -12.80097220
  O     17.14730929     10.48324090    -17.15995983
  H     13.49685420     11.13782290    -12.01965302
  H     17.26164812     10.13134390    -10.92892945
  O     15.50110675     10.10250183    -14.33562923
  H     16.33098152      7.02724342    -14.20922449
  H     17.43348200      8.86901036    -10.05050012
  O     11.53006670      9.71266677    -14.08748318
  H     17.20855251      7.37886698    -15.41623229
  H     15.85186966     11.41285764     -9.30045159
  O     16.60467332      8.35047589     -8.46735656
  H     13.78956438      7.42189606     -9.95719982
  H     15.92733906     10.16481268     -8.39772356
  O     12.17508122      6.91729429    -14.31955986
  H     13.52266496      8.44931124     -8.83896627
  H     13.68883727     10.12870191    -16.73879062
  O     18.43117364     12.70799449    -12.91580696
  H     18.08503194      9.30981391    -16.26579189
  H     14.19192500      8.64340944    -16.80636431
  O     17.64667871      9.24213429    -10.91469958
  H     19.36497008      8.44841892    -16.19007794
  H     12.33121831     10.11262800    -10.42548623
  O     15.44051607     10.98622823     -8.53718362
  H     14.95483982      6.76189089    -15.93490018
  H     12.68920245      9.06111008    -11.50075470
  O     14.46265175      9.56554099    -16.88039919
  H     14.10428338      6.17284229    -17.08516084
  H     13.55907092     12.62906839    -15.31498174
  O     12.28599502      9.93266065    -11.37266075
  H     18.84118883      9.54968051    -14.03022245
  H     14.05917748     12.86852296    -13.88658068
  O     14.14860164     13.18767394    -14.79505109
  H     18.68441845      9.62974132    -12.48254899
  H     12.04364980     10.75866812    -15.37266425
  O     12.38218186     11.27538768    -16.12596915
  H     17.10720310     11.28344864    -16.61654306
  H     11.62160135     11.63743831    -16.57353423
          69
 Energy    -250.52717709079326     
  O     18.30186507     10.31120889    -10.50271316
  H     19.07849394      9.73862198    -10.45336443
  H     14.18412547     10.84341444    -11.02282160
  O     14.26691466      5.73575878     -9.63286917
  H     17.55527635      9.77181306    -10.19803174
  H     20.82506103      6.71165411    -12.95326407
  O     17.57270094     11.88243133     -8.28332130
  H     13.89824290      4.87885642     -9.83589001
  H     19.83926762      5.80182271    -12.18856739
  O     12.84616689      7.90004329    -11.00236679
  H     14.98758262      5.88678366    -10.26845165
  H     16.31670562      7.33370714    -10.65847757
  O     17.27337810     10.29476622    -13.06909990
  H     17.96384447     11.36280231     -7.56932483
  H     16.31988971      6.84543562    -12.13366012
  O     20.29967201      8.38858566    -10.33336919
  H     17.91316107     11.50048027     -9.10320314
  H     20.91166541      8.86430276    -13.38130811
  O     19.76874938      8.16918331     -7.58643806
  H     13.08090756      8.74413585    -10.59401446
  H     22.43770918      8.78504012    -13.13619436
  O     18.95103443      5.94150169    -10.53502247
  H     13.23661260      7.21327311    -10.45203495
  H     16.72760923      9.39230472     -6.58293582
  O     13.80255906      8.76598080    -13.47503834
  H     17.67731672     10.38367819    -12.19346394
  H     15.37005137      9.90024802     -7.11536335
  O     14.90373219     11.65158130     -7.88097516
  H     16.42182320     10.74564604    -13.03083257
  H     19.24207166      8.52014403    -14.79830620
  O     14.59941310     11.25072033    -12.81920499
  H     19.82130726      7.55258973    -10.43575968
  H     18.81490793      9.79511584    -14.03972605
  O     13.98262385     10.37410467    -10.20258826
  H     20.86379301      8.47890578    -11.11098645
  H     15.38923500      9.28330602     -9.95936262
  O     20.22843570      5.96014620    -13.05856995
  H     19.39830763      7.27823042     -7.58011337
  H     16.16665142      8.75356305     -8.72765143
  O     16.35062233      6.53987495    -11.21730319
  H     20.09186982      8.32123963     -8.48396782
  H     18.95322722      9.39576591     -6.72258240
  O     21.59734653      8.48040504    -12.80536461
  H     18.03859684      6.08124431    -10.82828504
  H     18.87038172     10.24976287     -5.43493934
  O     15.86512073      9.09851862     -6.90888424
  H     18.89571915      5.69792313     -9.60318401
  H     15.28974136      6.12756642     -8.06501694
  O     19.58042549      9.33586306    -14.40843947
  H     14.60073387      8.26135170    -13.67493411
  H     15.78649185      7.21181042     -7.07293897
  O     16.17431469      8.78512129     -9.69156877
  H     13.40278964      8.36089197    -12.69120382
  H     16.73109081      8.58358995    -13.48157908
  O     18.42072777     10.06505405     -6.25478660
  H     14.58218207     12.39741304     -7.38164525
  H     17.07872013      7.29671331    -14.27569840
  O     15.94723717      6.31160233     -7.38285752
  H     15.84855849     11.81515112     -8.05605217
  H     17.60385732      5.82963898     -7.61829954
  O     16.40921888      7.69880274    -13.70919532
  H     14.17887019     11.91504456    -13.35850505
  H     18.73224979      4.86472254     -7.18729343
  O     18.53993282      5.60220301     -7.76061573
  H     14.25423737     10.38659735    -13.11565733
  H     19.18054395      6.36268112    -14.39677099
  O     18.62083269      6.71742821    -15.11084848
  H     14.20056594     10.94270313     -9.45288996
  H     18.76720644      6.16835926    -15.87604602
          69
 Energy    -250.52711609153590     
  O     12.24219490     10.96419212    -15.24912336
  H     12.54557198     10.20320576    -15.76228313
  H     15.24071299      5.59899766    -14.81518705
  O     15.54374344      6.41101123    -13.12522043
  H     12.95434568     11.61313356    -15.29368282
  H     19.58993372      7.50385611    -14.18284951
  O     17.28088625     10.27941282    -11.42452951
  H     14.80634434      6.56818789    -12.52035865
  H     20.68938316      6.95940926    -13.24175874
  O     18.83828547     10.73563118    -15.82421935
  H     16.33963412      6.68671344    -12.65097106
  H     16.02197414     10.57976499    -17.51882212
  O     12.23460853      6.25773122    -15.74794141
  H     16.77672975     10.25955540    -10.59943156
  H     17.14592357     11.06513927    -16.56032894
  O     15.47316791      9.86209253     -9.37352499
  H     16.66982105     10.59453244    -12.10682641
  H     15.51979526      7.86702287    -14.17748975
  O     13.66487592      7.15876883    -11.21454197
  H     19.54674585     11.27305285    -16.17210024
  H     16.16372853      8.28704750    -15.51277000
  O     15.38842148     10.89061203    -13.32328377
  H     19.00326470     10.65490923    -14.86812510
  H     11.51164670     10.37988193    -13.79376480
  O     16.73699747      7.22619651    -16.97909311
  H     12.03409041      6.54828355    -14.83944924
  H     10.30005481     10.38692724    -12.83034338
  O     15.90084832      6.98571905     -9.47225089
  H     11.51189672      5.69984781    -16.02217763
  H     12.29287572      7.02539325    -12.50554307
  O     19.13750833      7.88575286    -15.80599720
  H     14.69825874      9.96786675     -9.94193047
  H     11.45041970      8.12051805    -13.18873229
  O     15.01099526      5.46160429    -15.74445318
  H     15.56155164      8.91355780     -9.22391243
  H     18.77563940     10.40982769    -12.50665342
  O     19.85425439      7.41908278    -13.24838331
  H     13.62704310      8.12473836    -11.29320028
  H     19.70949123      9.36584137    -13.14526948
  O     16.28814894     11.30029915    -16.93753532
  H     14.29242041      6.97402760    -10.50570360
  H     17.48335453      8.47052671    -11.56115803
  O     15.61367827      8.61040266    -14.78908343
  H     15.11944470     11.60809740    -13.90663112
  H     18.42215418      7.36440136    -12.10184275
  O     11.15353198      9.98818347    -12.97676652
  H     15.51647449     10.10975620    -13.88497272
  H     14.45067829      8.97748771    -17.85125188
  O     11.72777725      7.19947502    -13.26850802
  H     16.13823025      6.53270710    -16.65940206
  H     14.82777048      9.16046245    -19.34077111
  O     19.42972304     10.28657855    -13.20770938
  H     16.27151749      7.74508604    -17.64434645
  H     12.65727601     10.02418953    -11.87004750
  O     17.61216228      7.51093913    -11.59689702
  H     16.57896628      7.08778491    -10.16057216
  H     14.15901043     10.29637315    -12.11290417
  O     15.19639922      9.10333782    -18.46295307
  H     16.26545113      6.39935785     -8.81400896
  H     14.64251480     13.57231558    -15.50752791
  O     13.53258876      9.92319784    -11.47652336
  H     19.08034701      8.84219531    -15.91906431
  H     15.16887261     12.19202813    -15.97012683
  O     14.55177791     12.63513783    -15.35924551
  H     18.38175789      7.52025009    -16.28589527
  H     12.90476207      7.86939789    -16.32564445
  O     13.38010150      8.70036680    -16.45113001
  H     14.06282700      5.62789958    -15.79954909
  H     14.10569306      8.69827226    -15.80790269
          69
 Energy    -250.52683804202718     
  O     -1.11917014      0.21179403      0.69815173
  H     -2.03547958      0.36568688      0.96010716
  H     -2.91830076     -2.24624270      3.33742373
  O     -3.15195969      3.50124643      1.12966990
  H     -0.97613726     -0.74193026      0.66424597
  H     -4.91761102      4.15149454      3.82870338
  O      2.04207244     -0.17038137     -0.89107552
  H     -2.23420679      3.68454473      1.37470226
  H     -3.89281175      3.64494982      2.79157919
  O     -3.09252066     -3.16358244      1.65694106
  H     -3.15641174      3.29245965      0.18319105
  H     -0.42566433      0.36994165      5.06894621
  O     -1.11568899     -0.54894166     -2.92353677
  H      1.44760104      0.53700367     -1.16810507
  H     -0.17216007      1.39275163      3.95462370
  O     -4.46262624     -1.30307969     -0.02283707
  H      1.65161770     -0.98629145     -1.22638906
  H     -3.62223630      0.73871019      2.52709020
  O     -2.93866683      2.49418191     -1.41999621
  H     -3.20891574     -4.11000006      1.69595671
  H     -3.58504220      1.73268857      1.34124393
  O     -0.12963516      1.63630387     -1.45623447
  H     -2.20652902     -3.00639196      1.28623254
  H     -2.44933539      1.04611568      4.49216116
  O      0.52669993     -2.40550980     -1.86209000
  H     -0.73151402      0.27834639     -2.60380529
  H     -3.78473071      1.79352524      4.26781360
  O     -0.63037658     -2.54452503      0.68064478
  H     -2.06720608     -0.46458882     -2.78468288
  H     -2.37050512      3.98123538      4.46581631
  O     -0.15265264     -1.50794211      5.09785030
  H     -4.34586744     -0.53162123      0.55206767
  H     -1.12516801      3.16918555      4.87154916
  O     -2.67706571     -1.84964389      4.18251530
  H     -4.09232247     -2.04022925      0.47455563
  H      0.52084857      5.06646372     -0.92077630
  O     -4.14034244      3.60696300      3.73026515
  H     -1.99706959      2.37668970     -1.58456580
  H      0.12009268      4.25900076      0.32593396
  O     -0.66086815      1.26013013      4.78026932
  H     -3.35123470      1.68019915     -1.73440559
  H      1.83891484     -1.41466839      2.40845877
  O     -3.68741240      0.79874316      1.56512623
  H     -0.49788555      1.17533173     -0.68424144
  H      0.82145427     -1.86142712      3.49250961
  O     -3.39105041      0.91324113      4.30441342
  H      0.13906302      2.52740479     -1.18845197
  H      1.50054631      1.11074481      2.19931033
  O     -1.41750376      4.04894803      4.60056543
  H     -0.09869325     -1.79899598     -2.30008393
  H      0.00760308      1.00098764      1.80056556
  O      0.41524824      4.17638384     -0.59454131
  H      0.81435344     -3.03012159     -2.52219971
  H     -0.02004841      3.14542756      2.07029372
  O      1.19353585     -2.09530494      2.63340134
  H      0.05812287     -2.47183640      1.36182705
  H     -0.76580766      4.20895516      2.89679634
  O      0.63334373      1.50558170      2.34301708
  H     -0.20792838     -2.61861981     -0.18345308
  H     -4.58474692     -0.17372944     -2.95273205
  O     -0.51036986      3.97794236      1.99312868
  H     -1.05425642     -1.70103473      4.78135841
  H     -4.08187155     -0.57336399     -1.54754768
  O     -3.85243213     -0.07230096     -2.35001888
  H     -0.01924558     -2.03556250      5.88117803
  H      3.83798343      0.11817337      1.70698071
  O      2.89225740      0.00365683      1.67640806
  H     -3.12829331     -0.99884156      4.24559506
  H      2.64702272     -0.06844844      0.73602959
          69
 Energy    -250.52618924121970     
  O     15.98379434     13.86367881     -9.60363028
  H     16.93772249     13.89629133     -9.45774014
  H     12.77867746     14.61751824    -16.01125402
  O     13.73705484     11.61501018    -16.04569259
  H     15.64209609     13.15318207     -9.04583761
  H     13.31058088     14.66343810    -12.10621816
  O     17.20023115      9.22241595    -10.92029861
  H     14.58759454     11.37992041    -16.43510374
  H     12.84204783     14.17717462    -13.50238913
  O     16.98575767     16.35200588    -12.75853007
  H     13.52679249     10.90762017    -15.42221908
  H     20.75708073     12.76978170    -14.06259952
  O     13.68711010      9.63265770    -14.05831387
  H     17.54699074      9.84758789    -11.57538275
  H     19.57973449     13.42569591    -13.30189345
  O     16.45120689      7.22103443    -12.80298333
  H     17.03668358      8.40385909    -11.40235523
  H     14.71132827     11.48477460     -7.29411460
  O     16.45930311      9.34267540    -14.58499577
  H     16.62173207     15.74907994    -13.43005133
  H     14.90986895     10.94374762     -8.72866035
  O     15.95553158     12.70886654    -12.17317891
  H     17.12132967     17.19251920    -13.18960682
  H     16.59897552     10.72989764    -17.85078716
  O     14.57026673      9.86174517    -10.08038189
  H     14.63295581      9.56369823    -14.24759173
  H     16.88391680     11.61034787    -16.60891713
  O     17.72986161     12.94060292    -15.91463397
  H     13.50426605      8.93640533    -13.41123014
  H     17.80851165     10.29404453     -9.48218657
  O     13.50507974     11.49565005    -12.00113666
  H     16.81367644      6.41424473    -13.16046775
  H     17.08190991     11.15692674     -8.43613313
  O     13.34143943     14.19986765    -15.36516967
  H     16.47072164      7.87752042    -13.51946489
  H     18.98367640     14.19962525    -11.16664365
  O     12.73524198     14.02778883    -12.55648161
  H     16.99502504      9.93207444    -14.03340163
  H     18.39555772     15.19133418    -12.20928659
  O     19.80916768     12.74981276    -13.96620964
  H     16.45524545      9.72822326    -15.46987198
  H     17.24399697     11.63839870    -12.63974062
  O     15.24174131     11.58806941     -8.07971034
  H     15.09587858     12.26497464    -12.17238911
  H     18.66018433     11.47581344    -13.25824276
  O     16.36151221     10.85503984    -16.93611470
  H     16.02350964     13.16615477    -11.32648646
  H     14.96345342     15.15245854    -10.52739822
  O     17.94259603     11.00966764     -8.84821682
  H     15.46231817      9.66600804    -10.40046166
  H     15.33972803     16.05568674    -11.70115114
  O     19.07377607     14.51916389    -12.07274032
  H     14.14596524     10.45448509    -10.72163481
  H     13.86977509      8.34741783    -11.19708562
  O     17.91298897     10.98465832    -12.90040880
  H     17.11334868     13.52241474    -15.44883204
  H     14.61450471      7.44537715    -12.19397679
  O     14.58096503     15.69495205    -11.23011093
  H     18.50930179     12.87967515    -15.35065934
  H     19.38406895     13.79928084     -8.73578739
  O     13.74154352      7.79671606    -11.97848544
  H     13.43242180     10.93661975    -12.78545806
  H     18.57136070     12.59235572     -9.25606318
  O     18.77783054     13.52958844     -9.42136189
  H     13.08740405     12.35404943    -12.17285552
  H     15.90093385     13.81788064    -13.60133359
  O     15.93131610     14.41588890    -14.36415556
  H     13.43027988     13.26666683    -15.63140180
  H     15.04503091     14.43580388    -14.74667245
          69
 Energy    -250.52565768018928     
  O     12.32391639     10.65475679    -16.11233487
  H     11.74416692     10.15998344    -15.51036945
  H     15.97544554     10.89515349    -15.30437071
  O     16.02160624      8.11058804    -13.60499499
  H     12.37689332     11.56619595    -15.79944146
  H     13.80674159     10.20390793    -15.08809986
  O     15.76727859     12.04504291    -11.17040455
  H     15.45208500      8.80187871    -13.98182527
  H     14.27633572     10.77049234    -13.73168070
  O     15.42756838     13.58453413    -15.00673608
  H     16.55808927      8.55811346    -12.93730563
  H     11.23009742      8.22052069    -14.38834556
  O     13.72785592      6.91651449    -16.53391289
  H     14.89900087     12.03918838    -11.60020905
  H     11.18811007      9.36128685    -13.36015813
  O     12.63918458      9.47895190     -8.94978772
  H     16.27845298     12.74334361    -11.59637954
  H     16.27596542      9.31413927     -8.95323948
  O     13.66887422      7.29206622    -12.34079113
  H     15.91415397     12.88788555    -15.46856768
  H     17.36089442      8.32501523     -8.46148481
  O     13.40547241     11.86142159    -12.51594378
  H     15.96461712     13.80029106    -14.23555495
  H     11.54586707      5.69354984    -14.64408256
  O     16.51801779      6.96050644    -16.03769330
  H     13.60799109      7.65081616    -17.14814364
  H     12.63435109      6.61730685    -15.24294002
  O     14.18320919      7.34014373     -9.57900247
  H     14.68025559      6.82439512    -16.40825365
  H     17.75475450     13.03842669    -13.08919435
  O     18.41610650     11.51836564    -13.61921745
  H     12.09046198      9.32261236     -8.18571989
  H     17.87958870     14.50613756    -12.61412816
  O     16.71524812     11.23518777    -15.82868756
  H     13.15287362      8.66343960     -9.09953089
  H     16.71625660     10.50090471    -11.55637534
  O     14.53722113     10.19196509    -14.45884642
  H     14.52115901      7.48222387    -12.75528826
  H     17.24215448      9.22091386    -10.87741905
  O     10.98510900      9.14825225    -14.27960260
  H     13.10223493      6.91127506    -13.02352907
  H     14.31928191     10.45639588     -8.80000015
  O     16.78297656      8.51677922     -9.19533615
  H     12.98961216     12.35425243    -13.23285654
  H     15.41222028     11.29477833     -9.51355560
  O     12.03439382      6.49660637    -14.48452536
  H     12.83176670     11.12866798    -12.24760655
  H     15.43435586      9.30918012    -17.96667551
  O     17.24734451     13.81291777    -12.78286871
  H     16.43815405      7.31891284    -15.13748486
  H     16.50769334      8.47719307    -17.24229043
  O     17.24462832      9.70437980    -11.71262750
  H     17.21483303      6.30969679    -16.01430795
  H     12.14769557      9.61587713    -10.74733791
  O     15.24898571     10.70974661     -8.76048746
  H     15.11123769      7.58928483     -9.49155156
  H     12.68939664      8.81674992    -11.95237552
  O     16.37426168      9.28752124    -17.74928101
  H     14.02495332      7.17807179    -10.51924764
  H     13.70384667     13.37515716    -14.99108605
  O     12.12741738      9.56778359    -11.71129420
  H     17.95243676     11.34690234    -14.45181229
  H     12.30043836     14.02317625    -15.08004118
  O     12.74740519     13.19552622    -14.92441137
  H     18.20055727     10.79213307    -13.02244235
  H     13.07026866      9.38940999    -18.97284204
  O     13.50722328      9.25094731    -18.13609162
  H     16.75177216     10.66228754    -16.60579460
  H     13.04651029      9.80715180    -17.48547515
          69
 Energy    -250.52553590362879     
  O     15.84031922     11.76498491    -13.14188288
  H     16.58425785     11.28430340    -12.75881343
  H     13.04022437      5.84743788    -13.94323599
  O     17.34090402      8.85607390     -7.94272602
  H     15.44234676     12.23524925    -12.40041976
  H     12.10877375     11.57544218    -11.74138158
  O     16.78707876      6.12095363    -11.00876344
  H     17.68491046      9.20520721     -7.12406865
  H     11.81059805     11.52318055    -10.22543522
  O     13.50928060      5.10832288     -9.89762538
  H     16.86697576      9.58463314     -8.37724235
  H     15.85734144      7.89353179    -16.00180016
  O     18.81170576      8.02299672    -10.29264995
  H     16.31597669      5.37316046    -11.39725627
  H     15.58689409      8.01438388    -14.48532468
  O     17.52308549     10.11511597    -11.57535298
  H     16.28537319      6.38856964    -10.22513713
  H     16.07734868      7.43153226     -8.30586279
  O     14.77744679     12.92258072    -10.69399820
  H     14.12726978      5.63119091     -9.37356485
  H     14.66797172      7.63480614     -8.87634601
  O      9.96254504      8.35722157    -10.45006460
  H     14.01150852      4.75668040    -10.64333652
  H     12.67731691     10.58796921    -13.89590494
  O     15.82683499     10.69160179     -9.38066484
  H     18.46344805      8.24814266     -9.42096148
  H     12.59207246      9.70758974    -12.64011400
  O     13.46834535      8.30689115    -11.91607375
  H     18.30542601      7.25237759    -10.58024630
  H     11.29229964      6.10940644    -12.20684421
  O     10.92900650      5.67227620    -10.44320940
  H     16.94891436     10.34951558    -10.83340323
  H     10.95971330      7.20495461    -13.25593011
  O     13.93472046      5.59665419    -14.21322478
  H     18.14459886      9.45811848    -11.23005414
  H      9.24962438      9.06932624    -13.89306148
  O     12.23197031     12.05454738    -10.91049796
  H     14.78354784     13.87110639    -10.59730891
  H     10.63749435      9.42678113    -13.30820496
  O     15.15623991      7.94037801    -15.35514860
  H     13.84350751     12.65273046    -10.76014140
  H     10.57061598     10.49882287     -8.22064583
  O     15.35282792      6.96273596     -8.73627559
  H     10.27859655      7.44891919    -10.36777559
  H     10.65880307      9.59552348     -9.47433848
  O     12.10204694     10.37201562    -13.14685083
  H      9.83311783      8.51628663    -11.39269940
  H     15.18548852      3.33837234    -12.41950528
  O     11.58601340      6.50257364    -13.03950320
  H     15.03492994     10.13470394     -9.35099854
  H     14.67681670      4.71098219    -12.91802825
  O      9.91863415      8.77037774    -13.28333674
  H     15.54093198     11.54510892     -9.73160118
  H     14.39344020      9.77566275    -15.21372344
  O     11.13367144     10.26952841     -8.95478928
  H     12.93130809      7.59846204    -12.28940126
  H     14.73659840     11.06394358    -14.42075269
  O     15.04829684      4.24251173    -12.14929156
  H     14.36383915      8.23113023    -12.27144481
  H     13.51614066      8.75706750    -10.23756169
  O     14.06651161     10.65283501    -14.98917953
  H     10.40145785      4.94778003    -10.11701395
  H     12.78937580      9.44156882     -9.04625816
  O     13.61397190      9.01710170     -9.30735379
  H     11.84912634      5.48474585    -10.18451929
  H     16.56785377      8.87697049    -12.47583784
  O     16.09340405      8.10264590    -12.80576963
  H     14.28926301      6.34215856    -14.71089272
  H     16.36794808      7.35727945    -12.25537317
          69
 Energy    -250.52533681981413     
  O     -3.21559447     -1.05805069      0.10340854
  H     -3.67362955     -0.36207088     -0.39101584
  H      0.80275689     -0.48604339      0.63309110
  O     -1.01318290      2.94640991      0.82554224
  H     -2.43788205     -1.27852816     -0.42586501
  H     -3.78208128     -3.59696318      2.08561027
  O     -1.43598685      0.12000408      4.66623203
  H     -1.67665095      3.29017522      0.21617213
  H     -3.17848615     -2.37812960      1.35867140
  O      2.26747606     -3.53388494      1.37148904
  H     -1.39981490      2.16419093      1.24702068
  H      2.13628627     -1.30133031      3.88367079
  O     -0.96468179     -1.73230344     -1.55824300
  H     -0.65597312      0.66330454      4.82723091
  H      1.89015339      0.23264461      4.11528996
  O     -2.02791314      0.01121883     -3.40087074
  H     -1.76826140      0.39186963      3.79967935
  H     -0.15638438     -2.38664605      1.08356474
  O     -3.99308109      0.99111683     -1.52990882
  H      1.36891815     -3.65592413      1.03693429
  H     -1.28218426     -3.43700415      1.15515755
  O     -0.87616368      2.59021316     -2.86705240
  H      2.16221242     -3.42501708      2.32438427
  H     -1.07148123      0.16949514      1.86226312
  O      1.13061145      2.33609095     -0.86221470
  H     -0.83217188     -2.46464217     -0.94274489
  H     -2.52974457      0.12723308      1.37692016
  O      3.62953609     -1.76670265     -0.19765805
  H     -0.14173106     -1.21973735     -1.51110367
  H      1.84278162      3.21587488      2.12746665
  O      1.36413631     -0.38154103     -1.13233669
  H     -1.67839928     -0.68131069     -2.81656574
  H      0.30103567      3.26173568      2.11430019
  O      0.41600372     -0.68116682      1.49525640
  H     -2.16204076     -0.39528825     -4.25382321
  H      1.77525374     -3.63271312      4.85661875
  O     -2.97333879     -3.10395919      1.97063983
  H     -3.43838756      0.70160853     -2.26563980
  H      0.62410597     -2.91718279      4.11259967
  O      2.31840050     -0.41659682      3.54142172
  H     -3.72340591      1.89889604     -1.34729303
  H     -1.74928083     -2.76007177      3.47353066
  O     -0.44664544     -3.23852977      0.71755620
  H     -1.15218189      1.69741503     -3.10896856
  H     -1.21533025     -1.64337300      4.39685619
  O     -1.92915864      0.61763330      1.94925472
  H     -0.07221982      2.50592500     -2.33844752
  H      1.00006499      2.24266505      4.12349618
  O      1.06772815      3.22362942      2.70103174
  H      0.37896089      2.51257371     -0.27646264
  H      1.18809355      2.16543944      5.65680288
  O      1.59045169     -3.04793200      4.12677898
  H      1.91432418      2.65285072     -0.39612010
  H      3.97345198     -0.26960050      0.90674585
  O     -1.06107747     -2.55809271      4.11415592
  H      3.17662756     -2.41164078      0.37460497
  H      3.48764677      0.18848348      2.29436258
  O      0.99171415      1.63760754      4.88743923
  H      4.31027183     -2.24659398     -0.66209450
  H     -2.13284617      3.32309187     -1.89153668
  O      3.95694290      0.48784814      1.50242292
  H      1.41232139      0.58472515     -1.10481975
  H     -3.16543122      4.43034501     -1.56697338
  O     -2.80623112      3.60719463     -1.24674346
  H      2.22871703     -0.76359422     -0.93777456
  H      4.02108646      3.55477789      0.80789612
  O      3.24757640      2.99899857      0.84296751
  H      1.10150957     -0.57297633      2.16533157
  H      3.55294977      2.10312072      1.07599695
          69
 Energy    -250.52475734921529     
  O     19.43445716     10.69120997     -7.99210531
  H     20.09570424     10.60017441     -8.70322968
  H     16.68898526      9.52449029     -9.31766169
  O     17.95255576      5.10574252     -9.74056236
  H     19.67658827     11.46069413     -7.48463543
  H     20.88796840     10.31945772    -10.94744281
  O     17.53616975      4.32045559    -13.07792998
  H     17.11302760      4.84775220    -10.14812391
  H     21.29062143      9.24683349     -9.91373905
  O     18.01474205      6.99984064    -13.42654100
  H     18.14284934      6.00678535    -10.04759854
  H     15.24681238      9.04025778    -14.09905306
  O     21.76285587      5.58703597    -11.77987990
  H     18.30528575      3.99592706    -12.59774210
  H     16.36202566      9.38433774    -13.08181781
  O     15.59229827      4.58471956    -11.05339084
  H     16.79222955      4.26647811    -12.46114454
  H     11.61775504      6.43139077    -10.46252545
  O     20.68931714      7.71758303    -13.43966467
  H     17.80392186      6.05444846    -13.40433367
  H     13.13802856      6.70622962    -10.44574763
  O     14.89987665      5.30793082     -6.50300488
  H     17.19786218      7.49174145    -13.56438258
  H     16.25827013      7.61050432     -8.25822376
  O     21.02633954      7.40829162     -9.70466777
  H     22.56236283      5.13449238    -12.03938856
  H     14.80087647      8.14194019     -8.22887376
  O     18.47804608      7.59842433    -10.73132516
  H     21.09152907      4.90215614    -11.63482168
  H     15.11462042      7.62176840    -10.35173163
  O     19.55413516      7.90344508     -7.29215578
  H     15.31356170      5.49969426    -11.19853599
  H     15.02909523      7.77218737    -11.90731019
  O     17.38166224     10.02487453     -9.77214366
  H     15.02061770      4.24137861    -10.35134403
  H     20.85938066     10.86321155    -13.39656516
  O     21.13629851     10.19520829    -10.02348300
  H     21.10238480      7.02155543    -12.91803489
  H     20.53689929      9.39991795    -13.02092379
  O     15.74479672      8.68513953    -13.36763555
  H     19.77613962      7.43269397    -13.59205531
  H     17.53855138      5.77314119     -8.10382676
  O     12.39782625      6.36471067     -9.91761208
  H     15.77772199      5.66715053     -6.71403612
  H     18.07731465      6.90268024     -7.19334352
  O     15.64368109      8.21142525     -8.69905818
  H     14.96398913      4.93044478     -5.62906779
  H     12.82981072      7.14469769     -8.20680607
  O     14.72507805      7.24906877    -11.15638706
  H     20.14043944      7.52267116    -10.08589797
  H     13.72483577      6.75208235     -7.01384253
  O     20.37668996     10.32748201    -12.77176386
  H     21.46978599      6.78288228    -10.28630807
  H     18.48383289     10.47413479    -12.63950401
  O     17.29868270      6.35302591     -7.36755615
  H     18.33665932      7.48504618    -11.68009326
  H     17.42676626     10.48602320    -11.51552892
  O     13.30524398      7.50650047     -7.44817517
  H     18.11582156      8.45083461    -10.46231954
  H     19.16592052      4.16839155    -10.61318753
  O     17.53311125     10.48315247    -12.47830248
  H     20.17968904      7.62547755     -7.97323422
  H     19.83556768      2.81203495    -10.92799048
  O     19.76319738      3.71375988    -11.23237731
  H     19.48927079      8.86173004     -7.38106494
  H     14.24028064      4.42622084     -8.08368425
  O     13.90871331      4.12234346     -8.93737994
  H     18.01435124     10.32656359     -9.10840111
  H     13.26219079      4.78302671     -9.21719740
          69
 Energy    -250.52394283751073     
  O     11.19740884      9.35465448    -14.78372782
  H     11.47848003     10.27523162    -14.81759083
  H     16.71332891      6.16279992    -14.68002998
  O     16.56776188      7.30815669    -13.33347709
  H     11.73837278      8.89108567    -15.44032390
  H     14.47037011     10.91185758    -17.31346706
  O     16.61453314     11.46606935    -12.34670864
  H     17.28805936      7.88737244    -13.05656400
  H     15.20811968     11.72029689    -16.24207600
  O     16.62607830     11.13795224    -15.11416240
  H     15.92395617      7.87913587    -13.78581706
  H     14.21021634      8.74684980    -15.14351711
  O     13.80455911      5.68315348    -15.68683571
  H     16.76989080     11.61501825    -11.40630557
  H     14.44365990      9.64014624    -13.88007784
  O     14.76308401      9.81881603     -9.02181458
  H     15.65922778     11.32260316    -12.43643076
  H     10.95708580      8.41269261    -13.36476845
  O     14.82352800      6.84377912    -11.23212461
  H     16.70198132     11.49177544    -14.21792694
  H      9.97263582      7.65968889    -12.43838913
  O     13.93759320     10.95921441    -12.71120357
  H     16.04418753     10.36319232    -15.04057038
  H     17.92007804      9.90207453     -9.74227621
  O     17.06483100      8.03514961    -17.08662691
  H     14.75893150      5.56114735    -15.66205451
  H     18.47982146      9.02362899    -10.87607005
  O     16.31839587      7.40819779     -8.92143317
  H     13.49018962      5.64728589    -14.76981089
  H     12.16291448      6.45507407    -12.92400637
  O     18.89511639      9.68639198    -15.55083928
  H     14.03544616      9.62761073     -9.62650057
  H     13.53003770      6.02936599    -12.36736571
  O     16.69778001      5.67764696    -15.52261299
  H     15.19874412      8.97275525     -8.85751288
  H     18.75036542      9.39062627    -13.64280799
  O     14.37032036     11.66611125    -16.71986455
  H     15.47228925      6.94557391    -11.94315949
  H     17.78387796     10.04887398    -12.62442492
  O     14.87556502      9.05732238    -14.51750106
  H     15.31270113      6.90080729    -10.40266734
  H     16.91204241     12.14966670     -8.87665026
  O     10.89323078      7.87937807    -12.55162034
  H     13.29920235     11.35643739    -13.31623868
  H     16.04755882     10.95568072     -9.34831368
  O     18.25871153      9.01854161     -9.93627638
  H     13.48963042     10.34036411    -12.11658375
  H     15.69700918      8.84187119    -17.83904070
  O     12.89423656      5.84372473    -13.06907890
  H     16.94428229      7.18534538    -16.64445500
  H     14.98922343      9.17160605    -19.17179917
  O     18.40385613      9.31365726    -12.74627772
  H     17.76288791      8.49164128    -16.60464487
  H     13.64457444      8.23191256    -11.15176208
  O     16.84293145     11.48084585     -9.55233451
  H     16.65155469      6.89852752     -8.18796196
  H     12.18393529      8.62527878    -11.46955163
  O     14.91636216      9.27575220    -18.22651395
  H     17.07020774      7.91407023     -9.27860770
  H     13.06103409     11.85268094    -15.55305196
  O     13.00384190      8.95550599    -11.08057079
  H     18.14006840     10.29776013    -15.48820491
  H     11.94716087     12.77204855    -15.00432588
  O     12.39599002     11.94524009    -14.84810805
  H     19.59758101     10.16144447    -15.98881277
  H     13.58374911      8.47031741    -17.17302443
  O     13.04486550      8.16043395    -16.43686950
  H     17.21127356      4.88411038    -15.39364595
  H     13.26032968      7.22779623    -16.27017467
          69
 Energy    -250.52239891309546     
  O     16.81888692      9.64209311    -11.93858015
  H     16.99861191     10.55714822    -11.68653762
  H     18.23366267      3.14039037    -12.61857185
  O     17.33695824     12.16925730    -10.88146660
  H     17.64686449      9.14152151    -11.89416315
  H     14.95788123      5.84511014    -10.07100760
  O     14.65228926      8.20840921    -12.88497330
  H     18.07216739     11.91003204    -10.29501562
  H     15.70739872      7.01399493     -9.40491388
  O     19.00905753      8.00712463    -11.58545342
  H     17.57893597     13.00210283    -11.27779461
  H     18.72106810      7.09196565    -13.21570809
  O     20.75757240      9.01808186     -9.60287618
  H     14.97090978      7.75261531    -13.67385419
  H     18.39347837      5.60953169    -13.46530619
  O     18.20691434      5.71761410    -10.18405365
  H     15.39049898      8.75505983    -12.57851740
  H     16.93290960     11.62977129     -7.30264108
  O     11.68331121      7.07133063     -9.87551524
  H     19.69221186      8.41593226    -11.04172237
  H     17.75428389     11.95507340     -6.03272094
  O     15.72437590     12.10653918     -8.47230380
  H     18.69681494      7.23452873    -11.09053344
  H     16.81151096      6.69153865    -14.60267039
  O     12.60529271      9.41076882    -11.32228633
  H     20.35724134      8.35564942     -9.00967569
  H     15.92891204      6.77419579    -15.87073392
  O     13.66753591     10.24971552     -8.93935188
  H     21.70292384      8.92893078     -9.51844620
  H     16.30875109      9.06863531    -10.30522062
  O     12.60516464      8.07217786     -7.41369574
  H     18.22510488      5.05623093    -10.88627976
  H     15.17338707      9.28638528     -9.26952691
  O     17.98195241      4.04109770    -12.43374745
  H     17.29384888      5.74944513     -9.86311702
  H     19.78742919     10.57726633     -9.27312501
  O     15.59511594      6.04940863     -9.37593244
  H     10.78403370      6.77316329     -9.75805762
  H     18.84194984     11.29650614     -8.27154794
  O     18.39523379      6.47861856    -13.88634064
  H     11.99168537      7.37289221     -9.00700490
  H     15.16239003      6.38048550     -7.57668813
  O     17.67253651     11.32653348     -6.74482274
  H     16.13926717     12.18662814     -9.33941681
  H     15.74850212      7.45092578     -6.64263361
  O     15.89066640      6.70521593    -14.92068426
  H     14.92810375     11.57377305     -8.59882683
  H     12.98529934      6.22887933    -10.95268115
  O     15.96032471      8.76016205     -9.46101451
  H     13.23941804      9.08208387    -11.97313928
  H     14.07443417      6.75927447    -11.92063243
  O     19.23107591     11.35632714     -9.15243104
  H     12.16770451      8.63056620    -10.96160467
  H     18.74596292      7.57657930     -7.62789962
  O     14.96268279      6.90919254     -6.79132007
  H     13.25055952      9.62946460     -8.33058444
  H     19.09664163      6.53573201     -8.72409917
  O     13.76245583      5.96566531    -11.45882125
  H     13.26938438     10.09972535     -9.81145906
  H     16.86634474      8.64787849     -7.92217653
  O     19.48116291      7.17543723     -8.11068510
  H     12.10246639      8.19346400     -6.61220588
  H     17.45050930      9.46066670     -6.75625721
  O     17.26368167      8.55843542     -7.04135202
  H     13.44327182      7.64885682     -7.15342360
  H     14.75361177      4.82076945    -12.56333469
  O     15.40836815      4.47551991    -13.18408560
  H     17.03814564      4.12166412    -12.66193937
  H     15.48063375      5.14146999    -13.87956163
          69
 Energy    -250.52131899103813     
  O     -4.11750100      0.23891922      3.70524233
  H     -3.94588927      1.18989710      3.73038401
  H     -6.33385082     -3.99395732      2.36650004
  O     -0.40598843      3.96185833      2.16070495
  H     -3.26973543     -0.20362842      3.55951987
  H     -3.15816662      1.39968234     -1.50253313
  O     -1.73594840     -0.94478669      2.97939311
  H     -1.19992475      4.04191479      1.61508315
  H     -3.55025364      1.15064096     -0.02278216
  O     -4.10520890     -1.54007681     -2.15388227
  H      0.06575291      3.17912681      1.84949616
  H     -5.72773361      3.81719443     -0.70775558
  O     -1.88832321     -2.65497806     -0.72472022
  H     -1.49331042     -0.71070012      2.07401985
  H     -5.86055793      5.34268196     -0.47880288
  O     -4.83324995      0.66080563      1.07062773
  H     -1.14423765     -0.42956592      3.54755742
  H      0.31976765      0.84743262      1.06228511
  O     -6.17052971      2.95983999      2.09663530
  H     -3.32664426     -1.92877232     -1.73836575
  H      1.77257809      1.35155889      1.19314459
  O     -7.99286591      0.36980467     -0.74726701
  H     -4.82650876     -1.63636748     -1.51690987
  H     -3.69607830      4.23711770      0.50340343
  O     -3.67530869      2.99876975      3.42798725
  H     -2.34150203     -2.86343549      0.11369153
  H     -2.76368327      3.03167066      0.28339259
  O     -4.14880692      1.00535130     -3.02491240
  H     -1.43940484     -3.45071725     -0.99778941
  H     -7.16458365     -0.43079255      3.08919228
  O     -6.05494607     -1.48159310     -0.14712693
  H     -4.54866899      0.36404438      1.94556098
  H     -5.78061767     -0.61557186      3.76625465
  O     -5.89519780     -3.20965843      2.04950497
  H     -5.40982105      1.41704457      1.23526705
  H     -0.87104757      3.73692673      3.83100151
  O     -2.83383127      1.46770668     -0.59730945
  H     -5.44190755      3.05219729      2.72478491
  H     -0.89015334      4.11885332      5.33221438
  O     -5.46336231      4.55195893     -0.12407338
  H     -6.02853195      3.61739214      1.40441251
  H     -0.47300720      1.69523527      4.49818111
  O      0.88749777      1.48583664      1.52387427
  H     -8.75544840      0.01915053     -1.20146808
  H      0.37912389      1.10564892      3.36296601
  O     -2.88944416      3.82108561      0.83000341
  H     -7.38934458     -0.37728139     -0.59792528
  H     -8.15961989      0.74037451      1.18810454
  O     -6.58778354     -1.08228220      3.51289641
  H     -3.38041982      3.24482605      2.53945751
  H     -7.54359407      1.68996773      2.22719072
  O     -1.21662627      3.47889259      4.70542591
  H     -2.93613270      3.19869558      4.01540847
  H     -2.67100792     -2.46157230      2.29842006
  O     -0.07398256      0.87532247      4.18382720
  H     -3.94432768      1.05356856     -3.95451168
  H     -4.01207012     -3.12395347      1.86053813
  O     -8.05400396      0.87369657      2.13612191
  H     -4.14429097      0.06083222     -2.78260715
  H     -1.54712361      0.39683163     -0.02591545
  O     -3.07237390     -3.05917750      1.65455711
  H     -5.60608735     -0.73615584      0.28422788
  H     -1.10242799     -1.08383686     -0.08362737
  O     -0.91337895     -0.23821495      0.34076483
  H     -6.08763584     -2.18805441      0.50902592
  H     -6.85858745      1.76972328     -1.34479651
  O     -6.19552332      2.41683566     -1.61438410
  H     -6.17773596     -2.47583993      2.62752841
  H     -5.54946446      1.94194598     -2.15110536
          69
 Energy    -250.52111381455137     
  O     17.44914162      8.00384846    -12.98558875
  H     17.95407825      8.17229795    -12.17897301
  H     13.94278420      7.93742671    -14.80854270
  O     12.20255161     11.62711324    -10.97030802
  H     16.76458378      8.68890316    -13.03476773
  H     11.44118127     10.95158109    -15.68595338
  O     18.59122468      8.17525716    -15.43642375
  H     12.94255023     11.02532313    -10.77577291
  H     12.42787673     11.28843479    -14.54205838
  O     11.07598230      9.50988915    -12.52142493
  H     12.01772994     12.10774320    -10.16794918
  H     14.96373344      7.37708979     -8.60642522
  O     15.85381686      6.06867043    -11.78749998
  H     18.98117922      7.35239426    -15.71876780
  H     15.29547467      7.28497643     -7.10135375
  O     18.69380611      8.64212012    -10.59327970
  H     18.19746324      8.01514200    -14.56037903
  H     14.61294961      9.81969158    -11.56256339
  O     20.03744818     10.81140455    -11.77626036
  H     11.30244944      9.78826417    -13.41715469
  H     14.04630459      8.91652446    -10.43361824
  O     16.59618075      9.94446924     -9.24622309
  H     11.31883021     10.24845042    -11.94997106
  H     18.13726413      6.91146975     -9.90955482
  O     11.64045443      7.00435444    -11.67966738
  H     16.43389103      5.87291739    -11.03706572
  H     17.02425366      6.55922613     -8.91406025
  O     16.47200366      9.79466722    -16.45387987
  H     16.36525379      6.68835491    -12.32641325
  H     16.53149341     12.47039851    -12.47215932
  O     13.70840632      6.57904060    -13.64976492
  H     17.98470617      9.10877933    -10.12720052
  H     16.50825182     12.53671682    -14.04258437
  O     14.12764487      8.76121319    -15.28548672
  H     19.28796209      9.32355900    -10.93292365
  H     15.62562529     10.75469941    -13.21257742
  O     11.98876497     10.55627143    -15.01278606
  H     20.90317344     11.19339625    -11.65904530
  H     14.94628560      9.49917203    -13.86780662
  O     15.64775185      7.56573430     -7.94248189
  H     19.88186727     10.75978337    -12.73630012
  H     19.33473732      9.82117056    -14.82268692
  O     14.22175243      9.83475136    -10.67459838
  H     15.77620852     10.02652851     -9.75509174
  H     18.87851090     11.28974235    -14.81846205
  O     17.57390969      6.18475433     -9.61248171
  H     16.41075028      9.24666514     -8.60659098
  H     17.50805763     12.77768066    -16.36791331
  O     15.95551529     12.52132890    -13.25043727
  H     10.83108683      6.50021186    -11.67499263
  H     17.02245958     11.36495840    -15.96318606
  O     15.42866364      9.81655896    -13.09324797
  H     11.40826129      7.90460976    -11.97012025
  H     14.58911233      6.75280018    -10.68985411
  O     19.51770589     10.68210533    -14.42720347
  H     15.63905491      9.39335016    -16.17326290
  H     13.07027394      7.01493137    -10.50828933
  O     17.41255531     12.19093836    -15.62236705
  H     17.16860820      9.16450875    -16.23106201
  H     18.42897269     11.70667710    -11.28145558
  O     13.93090821      7.12932079    -10.08516673
  H     12.95808881      6.66650994    -13.05021765
  H     17.25703331     11.49149991    -10.31348955
  O     17.55258445     12.03862048    -11.04924242
  H     14.42963243      6.23207232    -13.11136807
  H     12.82365099     12.34229120    -12.62869070
  O     13.15842098     12.48745023    -13.52219674
  H     13.32646804      9.30076747    -15.28303623
  H     14.11108990     12.62634500    -13.43742610
          69
 Energy    -250.52051104048951     
  O     17.90948851     11.03883794    -17.41119815
  H     18.05217682     10.34422426    -16.74617549
  H     17.40176069      6.00786924    -15.83192861
  O     15.47697933      6.02285603    -13.29554527
  H     17.13933724     11.53068499    -17.09953572
  H     17.63750613      7.79887920    -11.69801289
  O     16.44454198     13.70217202    -12.47877760
  H     15.03207702      5.20706136    -13.08238254
  H     17.09890454      6.54705805    -12.41697544
  O     21.41814847      9.18790442    -13.33714366
  H     15.79685468      5.93818953    -14.21186145
  H     21.09282802      9.28135561    -16.70641772
  O     15.47576668      7.71513831    -17.78495031
  H     15.64845569     13.72890826    -13.02330719
  H     21.07049127     10.75022028    -16.21633065
  O     13.72869312     11.22843883    -12.30492248
  H     17.17753644     13.52496254    -13.08277258
  H     18.31364948      8.24848010    -15.50733286
  O     14.85830887      8.74572284    -13.05549476
  H     21.14543692      8.26411010    -13.29692028
  H     16.99130607      9.07961303    -15.41807469
  O     18.33734614     12.77228977    -14.35769438
  H     21.53309266      9.39997265    -14.27653547
  H     16.65707245     10.33021934    -11.03231486
  O     20.29242293      6.52554737    -13.23707716
  H     14.67501364      7.62090536    -18.29547273
  H     17.74941598      9.90589009    -12.04859122
  O     15.18350950      9.45378473    -15.68928825
  H     15.28434723      8.36070264    -17.08295596
  H     15.86321755     12.35688364     -9.65348918
  O     19.11750327      6.62191250    -15.75862257
  H     13.93315886     10.32111650    -12.56423514
  H     16.12620005     12.59479342    -11.15947120
  O     16.44213156      5.88437838    -15.81139806
  H     14.33327400     11.43742332    -11.58116493
  H     18.63122972      9.94215816    -13.97516529
  O     17.89590003      6.93098829    -12.03328547
  H     15.61837887      9.04631870    -12.53430326
  H     19.89777019     10.07686709    -13.09733388
  O     21.44389662      9.88018560    -16.03771948
  H     14.92281522      7.78346176    -13.09652968
  H     13.86233117     12.53394572    -13.45306274
  O     17.95434170      9.13719411    -15.39746135
  H     19.00818101     12.86556887    -15.04229085
  H     13.26259474     13.80422639    -14.10337197
  O     17.01287451      9.57329641    -11.51200790
  H     18.59739454     11.99027273    -13.84527796
  H     19.54628885      8.14098767    -18.30716662
  O     15.84403366     11.93004613    -10.50571103
  H     19.45344823      6.67393179    -12.76399389
  H     20.96208185      7.59107858    -18.59745707
  O     18.98927771     10.39501445    -13.19600807
  H     20.76070588      5.84826887    -12.75585595
  H     16.76398712     12.34271632    -15.23921748
  O     14.05741366     13.28121809    -14.04729732
  H     15.37028020     10.40220143    -15.71538100
  H     15.23889984     12.59647076    -15.28258500
  O     20.39680340      7.90574306    -17.89651792
  H     14.96454700      9.22021964    -14.77593079
  H     20.49540627     13.03752284    -17.23814467
  O     15.95843175     12.14213889    -15.73848484
  H     19.69203095      6.94308645    -16.46506676
  H     19.37223178     11.99744956    -17.01951218
  O     20.12469092     12.44032700    -16.59251556
  H     19.63485535      6.54167957    -14.94573606
  H     17.91113058      9.57654296    -18.59273389
  O     17.96756190      8.65533082    -18.88079627
  H     16.08943874      6.39306376    -16.54998100
  H     17.14513043      8.24533562    -18.58726664
          69
 Energy    -250.52040866307669     
  O     12.34460088     11.08485985    -15.29222341
  H     12.61363996     10.34523644    -15.85810964
  H     15.14364148      5.71240466    -14.86629741
  O     15.34670570      6.45891449    -13.21632268
  H     13.08679218     11.69709670    -15.29174016
  H     17.48865002     11.93183378    -17.32843700
  O     17.48935123     10.22139442    -11.96461163
  H     16.20746083      6.68541242    -12.83796787
  H     17.25128785     11.05528282    -16.07540912
  O     17.73284274     10.03051673    -14.75153637
  H     14.67200634      6.64278505    -12.54950130
  H     14.57201259      8.86956871    -15.27865311
  O     12.29092954      6.38796178    -16.09007181
  H     16.62552657     10.58399410    -12.20978187
  H     15.23031870      8.01343964    -14.14922604
  O     14.57256995      9.58880130     -8.91106750
  H     17.51861554     10.22835024    -10.99976260
  H     11.47526026     10.45690455    -13.93462020
  O     13.39841202      7.19702601    -11.39166121
  H     17.88884966     10.24414827    -13.82313601
  H     10.12727617     10.39291526    -13.17806028
  O     15.01165827     11.05591694    -12.93284233
  H     16.89404502      9.53876126    -14.76652953
  H     17.37675210      8.08954426     -9.36587382
  O     17.05307974      6.70644316    -17.14914158
  H     11.56107118      5.87833534    -16.43110182
  H     17.51627444      7.07136451    -10.51085885
  O     14.63893769      6.71505961     -8.93064050
  H     12.04170235      6.66775708    -15.19026652
  H     11.35984004      8.19593325    -13.50981327
  O     18.73150085      7.39007138    -14.92945801
  H     13.97160657      9.82412172     -9.62995455
  H     12.17962671      7.08450459    -12.83196981
  O     15.00268587      5.56207306    -15.81221371
  H     14.48669734      8.63453995     -8.79304005
  H     18.22938619      7.26700994    -13.18111513
  O     16.80372526     11.53910142    -16.79222003
  H     13.32113515      8.16084806    -11.35113427
  H     17.69654068      8.35943253    -12.21346099
  O     15.22002048      8.88492573    -14.56454402
  H     13.73180441      6.91374421    -10.53126525
  H     16.27762453      9.93844172     -9.05917412
  O     11.01433128     10.04330881    -13.18235456
  H     14.93423414     11.78205921    -13.56031944
  H     17.57374161     10.50186608     -8.42865329
  O     17.22888275      7.16321209     -9.59257039
  H     14.99916992     10.24874364    -13.47465852
  H     16.25515690      8.32536987    -17.73076964
  O     11.65452110      7.28356574    -13.61713307
  H     17.36964883      6.08676946    -17.80215985
  H     16.12638578      9.87306373    -17.67759909
  O     17.79308142      7.40425421    -12.32750158
  H     16.30915220      6.27134278    -16.69437645
  H     12.27820050     10.05007987    -11.80461008
  O     17.24216352     10.01178885     -9.17617831
  H     15.58242100      6.78817050     -9.16331936
  H     13.76834746     10.44417592    -11.78742755
  O     15.71386721      9.07295204    -18.01880251
  H     14.57420420      6.05618901     -8.24502237
  H     14.73786181     13.64086456    -15.42612666
  O     13.08417239      9.98705681    -11.27705662
  H     18.61791016      8.34864243    -14.96157287
  H     15.42633477     12.32244751    -15.83236267
  O     14.75808024     12.70418537    -15.24265064
  H     18.21856756      7.05833910    -15.67647306
  H     12.97365371      8.03415673    -16.62156908
  O     13.35049432      8.92127118    -16.66305515
  H     14.06971600      5.74601164    -15.97044151
  H     14.09281007      8.92327698    -17.28604580
          69
 Energy    -250.51915563105879     
  O     -3.88533833      1.67021124      1.87415353
  H     -3.76382782      1.11103573      2.66113869
  H      2.37954239     -2.08456751      2.41585022
  O     -2.57494842     -3.27093820      7.06970825
  H     -4.14556587      2.53223184      2.18811285
  H     -1.68416517     -2.26282973      1.49974228
  O     -0.64153465     -0.27758059      4.02906404
  H     -1.80345338     -3.06128470      6.51540809
  H     -1.31102342     -0.80361505      1.10134721
  O     -3.42460798     -0.04980539      3.93788164
  H     -2.25170934     -3.39036246      7.95884363
  H     -3.50370540     -3.21826627      1.48658887
  O      2.11092936     -3.53297426      5.04442935
  H      0.12070031      0.26972479      3.81193655
  H     -2.33003134     -4.15472041      1.87174852
  O     -3.71207248     -5.03267841      5.12286092
  H     -0.82160641     -0.78226951      3.21596077
  H      1.38096830     -2.64466545      0.19641617
  O     -0.53924819     -2.71467559      5.34328368
  H     -2.46789640     -0.05274000      4.07220263
  H      0.49361252     -2.39124308      1.41412148
  O     -5.87598367     -3.56769612      4.43622428
  H     -3.83418152     -0.45500744      4.71697127
  H     -4.16747728     -1.45745943      2.89049323
  O     -1.85935941      0.70764121      0.13995519
  H      2.39923704     -2.82990424      4.43346030
  H     -5.17458431     -2.62911567      3.02357355
  O      1.12768687     -5.12044830      2.80191122
  H      2.86601790     -3.75733644      5.58105612
  H      1.24696840     -1.98759778     -2.30657311
  O     -1.68284281     -2.69661675     -1.34183686
  H     -3.35318216     -4.56561611      5.88791472
  H     -0.01095685     -2.14508116     -1.42406149
  O      2.73865422     -1.66014656      3.20857971
  H     -2.98858918     -5.08153913      4.48372800
  H      1.40657646      0.82715534      1.86456043
  O     -1.09647883     -1.52525921      1.70574306
  H      0.37367807     -3.03139411      5.32591331
  H      2.10051417      1.76314593      2.87601962
  O     -2.72866117     -3.67594639      1.13048819
  H     -0.53899980     -1.81938964      4.97815150
  H     -0.01236578      0.83402520      0.09798652
  O      1.30407998     -2.84286941      1.13621311
  H     -6.68212169     -4.06323146      4.54871294
  H      1.05262575     -0.16233311     -0.37378008
  O     -4.65994487     -2.11828188      2.38564954
  H     -5.14053436     -4.16902099      4.65463248
  H     -4.21374161     -0.53975697     -1.06424703
  O      0.90608745     -1.81665795     -1.43276349
  H     -2.35704417      0.33831188     -0.60081979
  H     -3.94180712     -0.30913344     -2.56958238
  O      1.61909020      0.94272078      2.80783664
  H     -2.50062477      1.13225151      0.72353906
  H     -5.13167884     -2.15054849      5.52666730
  O      0.92769093      0.61934645      0.17664256
  H      1.24386588     -4.45136529      2.11270760
  H     -3.89276915     -2.05363634      6.43090709
  O     -3.52492351     -0.56862695     -1.75240831
  H      1.54529048     -4.74906133      3.58777996
  H     -1.27387682     -3.91460549      4.03870363
  O     -4.53800233     -1.51907386      5.95129084
  H     -2.35226420     -2.03849192     -1.56614831
  H     -0.64239179     -5.00318982      3.16386506
  O     -1.49586859     -4.63658531      3.43704334
  H     -2.03948158     -3.19238175     -0.59371545
  H     -5.18749825     -1.04374918      0.97186561
  O     -5.24279387     -0.32835812      0.32331152
  H      2.45890310     -0.73973376      3.15540773
  H     -4.94471932      0.45898174      0.79492745
          69
 Energy    -250.51913049231024     
  O     15.18353601     12.42246459    -12.11370615
  H     15.86730967     11.83135705    -11.77017889
  H     14.15804670      7.38380294    -15.11471026
  O     17.02564064      9.13709751     -7.49783177
  H     14.54193003     12.50700586    -11.39895915
  H     12.43377167     12.63514279     -9.77230493
  O     16.86768647      6.14466369    -11.71963960
  H     17.74849741      9.43489014     -8.06399322
  H     12.68447756     11.54064725    -10.83521299
  O     13.78518531      4.24800157    -11.28421868
  H     16.22290930      9.54379507     -7.84958057
  H     14.39748237      9.94882586    -14.95941515
  O     18.82687437      6.97231874     -9.87487123
  H     16.48841896      5.58380018    -12.40808659
  H     15.47046385      8.96615978    -14.47098402
  O     17.20064616      6.42875396     -7.56602699
  H     16.28519899      6.06612994    -10.94961094
  H     19.03058099      8.69040207     -9.68226736
  O     16.75461138     10.46818257    -10.87254514
  H     14.31649475      4.31532804    -12.08661592
  H     19.94931740      9.91313709     -9.44146316
  O     10.67245534      7.17992404     -9.87972817
  H     14.29311781      4.67446391    -10.58151612
  H     15.86618884      5.93610394     -8.75140527
  O     14.77711258     10.10854590     -8.91054315
  H     18.38608742      6.65784544     -9.07564728
  H     14.54682454      6.50634321     -9.34379807
  O     13.63083560      8.25079725    -12.05301760
  H     18.29985076      6.64159440    -10.61420328
  H     12.55236951     10.99796190    -13.05077357
  O     11.16211149      4.80450259    -11.40559157
  H     17.41949354      6.08238102     -6.70531815
  H     12.72469868      9.75639111    -12.14999932
  O     13.87386259      6.47965298    -14.91715583
  H     17.10040511      7.39255896     -7.46522550
  H     11.39925649      6.03487350    -12.76180110
  O     13.10530465     12.05952802    -10.13016175
  H     16.07957635     10.29796304    -10.20019154
  H     10.95266917      7.47283040    -13.09947251
  O     14.79789078      9.09612599    -15.15595010
  H     17.60881288     10.28740474    -10.46123475
  H      9.17315057      9.27029078    -12.42523346
  O     19.03585302      9.64627830     -9.49259589
  H     10.77958251      6.32119747    -10.31004544
  H     10.67731775      9.55971979    -12.22244058
  O     15.23175207      5.83444078     -9.47121103
  H     10.35713224      7.77471641    -10.56966386
  H     14.87353682      5.33028048    -14.10934896
  O     12.18392396     10.55329804    -12.27604429
  H     14.24224111      9.30307809     -8.97145187
  H     15.68340657      4.01909251    -14.23009045
  O     11.57134667      6.77862751    -13.35533940
  H     14.20655544     10.83763996     -9.17996083
  H     14.33078198     11.97998132    -13.58412261
  O     10.00210037      8.86296472    -12.18592486
  H     13.10850719      7.64244712    -12.58944056
  H     13.72850501     12.38347869    -14.94966992
  O     15.39818591      4.68130249    -13.60627809
  H     14.51576607      8.32419921    -12.43154470
  H     12.37172133      7.60947976     -9.34448221
  O     13.72974605     11.69065246    -14.29434690
  H     12.10261932      4.56129546    -11.32521898
  H     13.48525217      7.96268133    -10.34365947
  O     13.31185768      7.82590284     -9.39770074
  H     10.66637713      3.99053505    -11.38831163
  H     16.58920902      7.75303417    -12.50583286
  O     16.27526897      8.59738669    -12.85631255
  H     12.97272654      6.53831108    -14.57637033
  H     16.50672553      9.27862079    -12.21090451
          69
 Energy    -250.51805516135229     
  O      9.97699210     10.83163581    -11.09732842
  H     10.80400799     10.85790651    -10.58362347
  H     11.58475589     11.60606937    -17.84726163
  O     14.38681863     10.38859896    -12.83024442
  H      9.26314880     10.80216950    -10.46608466
  H     14.10254420     13.45195237    -14.16402934
  O     17.09344643     12.89339287    -13.72492284
  H     15.21543316     10.67659874    -12.43003023
  H     14.08594564     14.18114279    -15.53075734
  O     15.40413597      7.12826831    -12.07663517
  H     13.97510635      9.74821923    -12.23197750
  H     18.42354904     11.35775408    -16.59518504
  O     10.61167309     12.09651546    -13.50502155
  H     17.48505074     12.34283431    -14.41380713
  H     16.93205964     11.22782778    -16.20896891
  O     12.78235489     14.83187329    -16.68432002
  H     16.32417564     13.31337340    -14.13120090
  H     14.34084279     13.66781965     -9.81730574
  O     15.19785079     11.43793648    -16.53898223
  H     16.17037214      7.68357831    -11.88887035
  H     13.90723476     12.97766393    -11.13061012
  O     13.16343731     12.82047789    -12.75947834
  H     15.40956281      6.98758676    -13.03080100
  H     17.81885464      8.79410990    -13.56850960
  O     14.01791378      9.28748284    -15.27743435
  H     10.86589752     11.33507629    -14.04883696
  H     17.84250073      9.50094459    -14.95134786
  O     17.64702529      8.95011690    -11.68752945
  H     10.27019898     11.74312531    -12.67386388
  H     11.04021949     10.28407403    -15.99047587
  O     12.35668140     10.77064935     -9.78290286
  H     11.94660790     14.45220210    -16.35668240
  H     12.24244547      9.66116184    -15.23977131
  O     10.72394234     11.25527421    -17.55668803
  H     12.58614342     15.71730815    -16.97794502
  H     15.87986163      6.24271803    -15.44238977
  O     14.64525798     13.66549564    -14.93664851
  H     14.76953041     10.65090738    -16.17126532
  H     16.43278581      7.57103379    -14.86660224
  O     17.84007816     11.14861002    -15.86976038
  H     14.98697652     12.18535590    -15.95937963
  H     13.05189773     13.29600635    -17.82187004
  O     14.37376328     12.83861340    -10.28865423
  H     12.22893300     12.71587532    -12.97895925
  H     13.88906470     12.00573234    -17.78354806
  O     17.74558720      8.64400809    -14.51930900
  H     13.55084242     11.93168450    -12.81764068
  H     10.95698358      8.90258240    -13.55723196
  O     11.32081974      9.93678699    -15.13475128
  H     14.18703408      9.68064495    -14.40543663
  H     10.45866645      9.25191389    -12.14290510
  O     15.62912643      7.02680764    -14.96176971
  H     14.46779277      8.43426163    -15.28061208
  H     16.83361998     12.03793557    -12.21356564
  O     13.10816062     12.40459527    -18.18819613
  H     17.32473157      9.85064324    -11.51823996
  H     15.94340019     11.94638012    -10.92875053
  O     10.90662568      8.56652000    -12.65387001
  H     18.32999629      8.77962766    -11.04309663
  H     10.42806332     12.82940739    -16.48413780
  O     16.57792531     11.46430553    -11.47190285
  H     12.72291031      9.93729685    -10.11596618
  H     10.44109588     13.20483780    -14.99296083
  O     10.51856597     13.57783335    -15.88110461
  H     13.06502087     11.42000049     -9.82736289
  H     12.43250611      8.36144984    -11.70216939
  O     13.22610402      8.53017857    -11.17106091
  H     10.24859647     11.00408398    -18.34405163
  H     13.91356557      7.89324395    -11.41242486
          69
 Energy    -250.51682616599982     
  O     15.94355874     10.03702636    -17.01675892
  H     16.46296115      9.55465066    -16.35983977
  H     16.83050640     11.22803974    -17.93584713
  O     14.99115737     13.13314710    -15.26506227
  H     15.10275560     10.23705886    -16.58785948
  H     15.90648535     12.59074067    -11.48095031
  O     19.17139384      9.21661958    -11.79059558
  H     14.35543656     12.42646252    -15.42736062
  H     14.76120383     13.44716518    -12.02572080
  O     20.32080335     11.79859427    -11.82930550
  H     15.79563634     12.68559541    -14.95892090
  H     19.25843137     15.84984801    -12.42245572
  O     14.44498704     10.24810594    -12.97194036
  H     19.55659376     10.07688363    -11.58284838
  H     20.55834921     16.17285929    -13.17183290
  O     17.42363524      9.00958219    -14.84695456
  H     19.59932716      8.94411209    -12.61192462
  H     20.46285489     11.71334105    -15.21302632
  O     16.43212164     14.41980310    -17.32424163
  H     20.86597805     12.52676517    -11.50545950
  H     21.71755511     12.16027356    -14.41773132
  O     18.63597081     14.95486351    -15.77083462
  H     20.55349746     11.67580737    -12.75988658
  H     17.47511406      8.78373010    -11.95570054
  O     21.80515638     14.10271526    -11.24807716
  H     14.54760736     11.06394523    -12.45906398
  H     16.39246144      7.71838090    -11.67981071
  O     19.13030106     12.26879297    -16.23787460
  H     15.11916746      9.64069296    -12.65104511
  H     20.19258469     15.72868121    -15.35014295
  O     13.61612074     10.70965463    -15.49065937
  H     17.06177516      8.67786970    -14.01445320
  H     21.35055615     16.71798576    -15.60397171
  O     17.37458455     11.89348074    -18.39458176
  H     18.38200645      8.89990958    -14.80066683
  H     16.67404286     15.28715105    -13.14329946
  O     14.94602247     12.60467770    -11.59768416
  H     15.81153183     14.06675673    -16.67250749
  H     17.93055092     15.13189995    -14.04941654
  O     20.19985017     16.02019643    -12.28826528
  H     16.72950808     13.64774428    -17.82130092
  H     22.42255740     13.85948372    -13.06773941
  O     21.09791663     11.42639264    -14.53999318
  H     17.85543851     15.00213499    -16.34090048
  H     22.08636569     14.50017716    -14.42527881
  O     16.58891748      8.47951840    -12.22016189
  H     18.96478206     14.05314690    -15.89350467
  H     20.62681795      9.72066159    -14.48668164
  O     21.05196842     16.03148743    -15.01256341
  H     22.29353014     14.43721960    -10.50101192
  H     20.88940386      8.22245401    -14.75457823
  O     17.63726964     15.22261521    -13.13226857
  H     21.20623053     14.81546841    -11.53550348
  H     17.19863965     10.81898306    -14.44213430
  O     22.49364449     13.72457073    -14.02085317
  H     18.69134209     12.11936883    -17.08359833
  H     17.37787611     12.01754798    -13.44365921
  O     20.23522316      8.83278151    -14.42370106
  H     18.45524126     12.10848398    -15.55683617
  H     14.80099136     14.37253734    -14.01997678
  O     17.23488257     11.78059001    -14.36879593
  H     13.89227903     10.49980284    -14.57842046
  H     14.11292025     15.61597423    -13.40826054
  O     14.82775484     14.99862729    -13.27570886
  H     12.72330941     10.39092767    -15.58681175
  H     17.77454587     13.65587742    -12.19995843
  O     17.72777538     12.76249066    -11.82936694
  H     17.42825087     11.61891137    -19.30595961
  H     18.63348378     12.44509460    -11.72370839
          69
 Energy    -250.51652510731680     
  O     12.46686858     12.55323693    -13.21541495
  H     13.32019148     12.45383182    -13.67226691
  H     16.54466566      5.81672455    -13.54575099
  O     19.05419423      9.46903386    -11.89679260
  H     12.34542788     13.48589279    -13.05731395
  H     19.27467930     12.29908287    -16.72358858
  O     15.57300368     10.22682389    -11.32674442
  H     19.05228295      9.48385803    -12.86467505
  H     17.89403775     11.59914736    -16.69680809
  O     11.50541381     10.90300483    -15.39228995
  H     18.68898288     10.31634540    -11.61951305
  H     13.81899306     10.21218189    -17.39249141
  O     14.36887966      7.80328626    -15.12224245
  H     15.73565234      9.98247175    -12.25363689
  H     12.83992142     11.05558732    -16.56651954
  O     14.74740330      6.04210753    -13.00406475
  H     16.25009078     10.87756824    -11.11311806
  H     16.92782415      9.61186109    -14.20158456
  O     18.31965443      6.97795618    -11.16291456
  H     11.52921936     10.04032820    -14.95616452
  H     15.48693727      9.02799827    -14.39460870
  O     14.77109733     12.06766552    -14.63546459
  H     11.62446924     11.54622808    -14.68377993
  H     12.64915753      8.58233952    -10.68612206
  O     18.42810505      7.06086902    -15.99770161
  H     14.57936818      7.10556109    -14.48608944
  H     13.71905349      7.53275195    -10.32304010
  O     15.58719008      7.51189996    -10.75573437
  H     13.51564573      8.15695950    -14.83808808
  H     18.80658142     10.27489325    -15.21957108
  O     16.54829181     11.00471113    -17.57920091
  H     13.80641098      5.86854525    -12.88229893
  H     18.72278083      8.70607676    -15.20238648
  O     17.48221077      5.97811115    -13.70839447
  H     15.02444369      6.56403695    -12.23621416
  H     16.42299490     12.84085571    -14.12469573
  O     18.65692945     11.85787822    -16.14715332
  H     18.99829859      6.60176839    -10.60893751
  H     17.87164845     12.65080501    -14.59365262
  O     13.68541363     11.09385120    -17.04487856
  H     18.60649175      7.88270597    -11.38418161
  H     18.12177839     12.68792207    -10.77867352
  O     16.00404148      9.70343922    -13.93889848
  H     15.22690159     11.26082278    -14.35069750
  H     17.64618911     12.35017142    -12.20938658
  O     12.76527243      7.66533399    -10.40450580
  H     14.42381163     11.86127706    -15.51258117
  H     13.77483124     10.27950572    -11.49731761
  O     18.70685209      9.49961078    -14.65225371
  H     19.02551021      6.44417685    -16.41210350
  H     12.57535900     11.05735842    -12.08179568
  O     17.34098921     12.93241909    -13.83870733
  H     18.08707799      6.62492938    -15.19531398
  H     16.94001286      7.82710152    -16.91627908
  O     17.77344823     11.98220669    -11.31689151
  H     16.51195401      7.23517880    -10.75748298
  H     15.45971932      8.05502392    -16.58019984
  O     12.82870514     10.21113461    -11.69310550
  H     15.60332590      8.47424058    -10.86104561
  H     12.31953540      9.14267979    -13.10852434
  O     16.15298933      8.30395828    -17.20641390
  H     16.46980530     10.04024441    -17.50344172
  H     11.84006727      7.72425963    -13.49423453
  O     12.02581020      8.59943012    -13.85469596
  H     15.64729205     11.33581107    -17.53635006
  H     12.16435237      6.61067172    -11.65923221
  O     11.94983559      6.11018570    -12.46813865
  H     17.84636407      6.27333949    -12.86470411
  H     11.27110519      5.48313582    -12.23431168
          69
 Ord_Energy   -250.516235    
 O    5.51580286     -0.519498885      -1.16203153    
 H    4.98718023     -0.366840005      -1.96029806    
 H    5.97866774      -1.35243058      -1.31124687    
 O   0.514415026      -4.85717773     -0.553047061    
 H    1.12289202      -5.48942709     -0.957612574    
 H   0.682754338      -4.82771635      0.397822052    
 O  -0.243116558      -1.82952952       1.73711908    
 H   0.239738718      -2.64358759       1.91580272    
 H   0.398118705      -1.10603666       1.74923527    
 O    4.01594019      -7.49151632E-02  -3.47741866    
 H    3.09921288     -0.377606392      -3.38047266    
 H    3.97823262      0.887545407      -3.51980877    
 O    4.57643557      -2.80823183      -4.01207352    
 H    5.28240633      -2.97068071      -3.37724423    
 H    4.44531202      -1.85160613      -4.00450754    
 O    1.49205446     -0.997977078      -3.08304429    
 H   0.929828405      -1.57017577      -3.61968207    
 H   0.941566706     -0.501800895      -2.46056294    
 O    3.81085825       2.71101236      -3.11120081    
 H    4.19371414       3.45063353      -3.57560372    
 H    4.30135250       2.62000060      -2.27363992    
 O    2.38946843      -4.54497147      -3.98848724    
 H    3.14961982      -3.94789791      -4.05299330    
 H    1.60565054      -4.03132868      -4.20968580    
 O    6.41481590      -3.15237927      -1.77381086    
 H    5.74530029      -3.75067449      -1.40159500    
 H    7.24471664      -3.62230515      -1.75302422    
 O    4.28986740      -4.63026047     -0.855732441    
 H    3.83966780      -5.40613556      -1.20857096    
 H    3.66414165      -3.90087295     -0.993592024    
 O    2.41042519      -6.36789656      -2.02110171    
 H    2.39562249      -5.74165678      -2.77110624    
 H    2.37950945      -7.24418736      -2.39377260    
 O    3.79372525      -3.93921590       1.86556423    
 H    3.90124607      -2.98901439       1.71817458    
 H    4.08536100      -4.35106373       1.04241407    
 O   -1.29954028      -3.42186975      -2.09271121    
 H  -0.775006890      -4.01590157      -1.53777945    
 H   -1.59696555      -2.70791411      -1.51637578    
 O    2.28267193      -2.72293305      -1.03818786    
 H    2.05873227      -2.18889356      -1.80926645    
 H    1.56725645      -3.35434079     -0.897382021    
 O    2.70089316       2.82412934      0.933281660    
 H    2.22564268       2.93622422       8.97197202E-02
 H    2.63866520       3.65505981       1.39702463    
 O    1.60632288      0.265737921       1.30475461    
 H    1.92087245       1.17700410       1.34159577    
 H    2.39968801     -0.283085912       1.21103859    
 O   -1.95102990      -1.32191408     -0.292487264    
 H   -2.81300592      -1.11207509       5.69883995E-02
 H   -1.38743842      -1.55200815      0.469319046    
 O    1.17517300E-02  -2.95329213      -4.39164495    
 H  -0.571375430      -3.00754094      -5.14347410    
 H  -0.522664189      -3.15337873      -3.60102773    
 O    1.12271607      -4.35139036       2.14375901    
 H    2.08631444      -4.22183180       2.10318756    
 H   0.943262637      -4.81775713       2.95624065    
 O    3.74038720      -1.35506368      0.801286161    
 H    3.15667582      -1.84270370      0.195844397    
 H    4.44074345     -0.996539414      0.241730973    
 O    5.01560497       2.24727559     -0.720001757    
 H    4.34947205       2.34406829      -2.92008501E-02
 H    5.30758619       1.32640493     -0.716401041    
 O   0.150722384      0.374862760      -1.10924125    
 H   0.678766489      0.314912558     -0.299497873    
 H  -0.670436621      -9.77816582E-02 -0.927555382    
 O    1.44848835       2.87851882      -1.47693753    
 H    2.12369299       2.79497504      -2.16146159    
 H   0.903440118       2.08185816      -1.51121223    
          69
 Energy    -250.51508753558042     
  O     15.90214772     11.61625504    -17.66974912
  H     16.66243732     11.93962109    -17.17498733
  H     16.71657355      4.46573208    -14.82696754
  O     15.78844589      7.55703012    -13.04594469
  H     15.11194869     11.88947071    -17.18002877
  H     15.71877907      7.38178870    -17.40421331
  O     19.55530242      6.68686347    -16.86173446
  H     15.60813233      7.94386914    -12.18208653
  H     16.05327714      5.88497744    -17.58901223
  O     12.68943339      7.17004129    -17.28106939
  H     15.51368428      8.21184840    -13.70909787
  H     14.26507500      9.52539176    -15.17362572
  O     17.69357687     10.23673444    -11.84273209
  H     19.42915202      7.63555556    -16.73450979
  H     15.65273270      9.24035123    -15.80047119
  O     11.64003942      8.47602953    -13.32253572
  H     19.75450528      6.33327038    -15.98566276
  H     12.76152597      9.72998122    -12.46674052
  O     13.90364120     12.77919560    -13.33127990
  H     13.61720674      6.89108183    -17.35937320
  H     14.01503408      9.99503707    -11.59640260
  O     19.68624041      5.65101988    -14.18898457
  H     12.26945454      6.95444560    -18.11016861
  H     12.53088637      8.82282818    -16.37000844
  O     15.46684042      9.14048163    -10.73976553
  H     17.31546028     10.83776807    -12.49951720
  H     12.08871836      9.29445668    -14.95934863
  O     17.66977740      4.99333137    -17.84898358
  H     18.16115679      9.55788776    -12.34637448
  H     18.76446800     10.26358529    -16.03094697
  O     15.12646909      5.44354472    -14.66171549
  H     10.75670486      8.34029325    -12.98853589
  H     18.71899885      8.96748787    -15.16466729
  O     17.59851996      4.17587873    -15.09598433
  H     11.93321221      7.62037103    -13.68307295
  H     18.97626291      7.29068554    -13.67452428
  O     15.35304171      6.48764598    -17.31077170
  H     13.48571964     13.49368663    -12.85882792
  H     17.56515182      7.85527776    -13.38555815
  O     15.19549647      9.38217151    -14.96139367
  H     13.64578711     11.95486832    -12.87962639
  H     18.71492213     12.85846645    -15.77377930
  O     13.32489095     10.42853507    -12.11302216
  H     18.93926328      5.07705207    -14.43793034
  H     17.58889059     12.01109590    -15.13670089
  O     12.52048395      9.58273562    -15.77378830
  H     20.33749015      5.09154040    -13.77474426
  H     17.32808504      9.01532416    -17.04446482
  O     18.83405066      9.30188081    -16.06654428
  H     16.28603404      9.57195245    -11.04338463
  H     16.18972013      9.87753797    -17.66952774
  O     18.48201165      8.11208023    -13.55962707
  H     15.56811543      8.98191000     -9.80521847
  H     15.64256559     12.21699411    -13.64372797
  O     18.19933167     12.06458477    -15.89176434
  H     18.35279255      5.63227045    -17.57521346
  H     15.98351943     10.85292756    -14.26738887
  O     16.43340108      8.97525390    -17.40926544
  H     18.00773167      4.54517018    -18.61966631
  H     13.09576029     11.35996169    -16.12935579
  O     16.38426144     11.65069724    -13.88883693
  H     15.20952826      5.83892510    -15.54080177
  H     13.67023074     12.47309950    -15.24162465
  O     13.61161542     12.17631931    -16.15676675
  H     15.37842187      6.12502188    -14.01957782
  H     13.27562908      5.79835415    -14.48672539
  O     12.40866022      6.21005215    -14.59427961
  H     17.62015112      4.27505154    -16.05568743
  H     12.35290863      6.43718355    -15.53055609
          69
 Energy    -250.51404015753980     
  O     -8.31054684     -2.02733388      5.90554001
  H     -7.53254297     -1.61460160      6.29300778
  H     -7.45659516     -2.11364061      0.57899973
  O     -8.98118714     -2.40393881      1.40632872
  H     -9.00402427     -1.35220186      5.85832761
  H     -4.36898146      0.74645665      1.97574302
  O     -8.24213891     -3.73344398      3.83684429
  H     -8.83568314     -2.95167643      2.18827019
  H     -3.04007776      1.37967892      2.46625177
  O     -5.34354925      0.56015768      0.38651664
  H     -9.52291955     -1.66569776      1.71441991
  H     -6.92672496     -0.60713235      3.29572559
  O     -6.91816834      1.58754095      5.76229541
  H     -8.44438187     -4.61286833      4.14291731
  H     -7.27887019      0.62772131      4.18528649
  O     -4.76146941      5.19268316      0.83547028
  H     -8.32161639     -3.14333240      4.60974152
  H     -5.24526280     -0.85588756      6.13983866
  O    -10.41108616      2.28997398      1.34817547
  H     -5.64738676     -0.34286337      0.23997594
  H     -5.44564352     -0.98644727      7.66997813
  O    -10.26854608     -0.09997294      5.51185499
  H     -6.15017704      1.08156508      0.51941035
  H     -0.79555864      2.59509150      1.88906370
  O     -4.27530826     -1.02296071      4.72962396
  H     -6.20104551      2.10552329      5.36867627
  H     -2.10027970      3.32558097      2.29400143
  O     -3.77435789      2.86606640     -0.18243544
  H     -6.53560046      0.85210352      6.25788016
  H     -9.51236417      3.49671765      4.23218989
  O    -10.12661716     -0.18524082      2.68950111
  H     -4.45084030      4.37688706      0.40312338
  H     -8.60119258      4.13410347      3.14797311
  O     -6.54276342     -2.02572849      0.25177367
  H     -4.70559333      5.88730759      0.18479214
  H     -6.04663323     -2.26287968      2.04797507
  O     -3.85029893      0.94849336      2.76578430
  H    -11.11267227      2.70739434      0.85691011
  H     -6.70831521     -2.87780751      3.31034978
  O     -7.43191492      0.21344904      3.32810780
  H    -10.17015400      2.89752505      2.07210895
  H     -9.55935633      3.07909200      6.73033108
  O     -5.88639424     -0.73198918      6.86408408
  H    -10.11020227      0.83644129      5.67479497
  H     -8.50824762      2.29127246      5.91320731
  O     -1.74471599      2.55581934      1.81413252
  H    -10.44358682     -0.17437676      4.56447616
  H     -3.67117696      4.15434570      3.66451331
  O     -9.50980875      3.87065036      3.34203701
  H     -4.78902717     -1.61477118      4.16053222
  H     -3.59467683      4.96074370      2.35634278
  O     -6.01552907     -2.27298946      3.01216039
  H     -3.99162347     -0.31129722      4.14244704
  H     -4.68588811      2.24481800      3.74657013
  O     -9.41780574      2.63726162      5.89640922
  H     -2.98337447      2.71649121      0.35093274
  H     -5.72221436      3.40667197      3.66923512
  O     -3.05216950      4.58865735      3.06346693
  H     -4.27817038      2.04314693     -0.14583962
  H     -7.54673046      1.26026217      1.91766553
  O     -5.08717329      2.96617850      4.25367558
  H    -10.35873647      0.62008322      2.21142196
  H     -8.58529296      1.96383754      1.00337188
  O     -7.63943155      1.83730658      1.14094598
  H     -9.20720366     -0.07696987      2.98030144
  H     -6.20219401      4.63678907      1.87840997
  O     -6.82537590      4.14591577      2.42834667
  H     -6.44783403     -2.65745678     -0.45665634
  H     -7.09023794      3.36912293      1.91261881
          69
 Energy    -250.51218725240307     
  O      0.89069844      1.12271374      4.07631072
  H      1.52934213      1.48066515      4.68755159
  H     -4.25965283     -0.30955625      4.88596253
  O     -0.72256466     -1.71172370     -3.23183478
  H      0.38681035      0.44593767      4.56379650
  H     -4.42358005      3.11853305      1.55421974
  O     -0.61051510     -0.75592156      5.34913493
  H     -1.44655092     -1.36286779     -2.69228665
  H     -4.94638109      3.94009415      0.35070517
  O     -2.38927084     -0.67983310     -1.22436999
  H     -0.41066221     -2.49682126     -2.76611901
  H     -2.44493028      3.28157772      0.46218574
  O      0.30389968     -3.70841899     -1.40000638
  H     -1.57025544     -0.64287921      5.34815387
  H     -1.11541275      2.55619628      0.11343879
  O      1.98081032     -1.65546496     -0.74481688
  H     -0.46363426     -1.69271427      5.17502290
  H     -3.68596922      0.23476813      1.05119058
  O     -4.33092407      2.77160869      3.25509356
  H     -1.67370268     -0.07990097     -0.96761957
  H     -4.44616234      1.37727009      0.32209619
  O     -3.22602959     -3.47705894      4.30522717
  H     -3.19816604     -0.30984475     -0.84727827
  H     -2.07157369      0.73857612      2.57734060
  O     -1.52576113      2.32694568      3.21212035
  H      0.82759137     -4.47591275     -1.61422893
  H     -1.73858819     -0.75653581      2.23818678
  O      1.21211868      0.15961677     -2.81976602
  H      0.92721504     -3.01935801     -1.10740070
  H     -1.30175539     -3.50719931     -0.48743321
  O     -5.83323795      0.50211430      4.22989787
  H      1.88991651     -1.02240807     -1.46845806
  H     -2.23580091     -2.27686989     -0.42281944
  O     -3.39548795     -0.73052442      4.81937163
  H      1.89953429     -1.13798465      0.06575737
  H      0.64067347     -0.86893404      1.71022263
  O     -4.38629414      3.20490767      0.58350495
  H     -3.39365576      2.64467005      3.45480603
  H      1.23738335      0.40719580      2.33155610
  O     -1.49986439      3.25890516      0.65455732
  H     -4.81206689      2.02906885      3.63812755
  H      0.22993722      0.70713283      0.16488170
  O     -4.34174283      0.41851064      0.35693488
  H     -3.61146086     -3.57270826      3.42629032
  H      0.26209222      0.90897511     -1.37309948
  O     -2.44946609     -0.10677573      2.29374361
  H     -3.40521462     -2.56731651      4.58275748
  H     -1.51816864     -3.59328452      4.48026052
  O     -2.05211688     -3.13382287     -0.00687887
  H     -0.65585275      2.08025620      3.54397428
  H     -0.20294100     -4.29076471      4.91342838
  O      1.18758946     -0.09222146      1.50900179
  H     -1.41004007      2.75898850      2.34951843
  H     -1.01765341     -2.59002556      1.39740504
  O     -0.28215082      1.03849273     -0.58667745
  H      1.57565996      0.53333888     -3.61748124
  H     -0.47501682     -2.67391525      2.86904344
  O     -0.54665970     -3.50727075      4.49449656
  H      0.53294225     -0.48384673     -3.09089631
  H     -3.49941215     -3.46902040      1.04285010
  O     -0.51698153     -2.12279945      2.07782335
  H     -5.88766704     -0.11440171      3.47764941
  H     -4.75094307     -4.33011091      1.29488811
  O     -4.25134405     -3.59401260      1.64291094
  H     -6.71317817      0.57353168      4.58975945
  H     -5.47744864     -0.61207730      1.37082639
  O     -5.82898529     -1.17634942      2.07472146
  H     -3.10234018     -0.55030222      3.91227574
  H     -5.35278474     -2.00934078      1.99202372
          69
 Energy    -250.51180935929239     
  O     18.83580962      5.79810530    -13.93912123
  H     19.67403842      5.47369757    -14.25963562
  H     14.64011628     10.01544905    -10.31884913
  O     14.14846497      9.90295591    -13.47761892
  H     18.62463246      6.58808146    -14.46465920
  H     15.36982072      8.58796412    -13.33113996
  O     11.08314283      9.21812981    -10.72531268
  H     13.49309546      9.36745030    -13.94621978
  H     16.56481032      7.90364952    -14.05520329
  O     14.15440932      7.47281819    -16.72960295
  H     14.67828847     10.38553999    -14.12890715
  H     17.19614180      4.79123791    -14.10828501
  O     14.38509456      4.71266228    -16.08171472
  H     12.00358218      9.50859969    -10.67131864
  H     15.83604692      4.63576050    -13.39470087
  O     16.29237828     10.27191782     -9.45066634
  H     11.04552989      8.36962069    -10.26740425
  H     16.01675481     10.35074698    -16.04536767
  O     11.14542995      6.49766363     -9.78422766
  H     14.24151113      6.52621225    -16.56157374
  H     16.79212841     10.95999976    -14.86545497
  O     18.02662025      8.09987789    -15.24145324
  H     13.46958665      7.79847938    -16.13241151
  H     19.22932172     11.24485342    -14.20069464
  O     10.03824034      8.76733957    -13.18846157
  H     15.12345897      4.57947153    -15.46103927
  H     18.41500187     10.45039529    -13.15439225
  O     10.40251528      6.03190712    -12.35645835
  H     14.37126864      3.95276600    -16.65758570
  H     11.49736423      8.45692286    -14.28792098
  O     12.62300394      5.46706739    -13.98391675
  H     16.41062174      9.32555086     -9.24777931
  H     12.44510373      7.24400162    -14.40398462
  O     13.85375639      9.67643500    -10.76198930
  H     16.41230097     10.74531417     -8.63149805
  H     16.37114600      9.07046971    -18.23559930
  O     15.97066028      7.83333608    -13.29990094
  H     10.57457743      6.02875367     -9.18177706
  H     15.52648684      8.39587561    -17.12782611
  O     16.32227514      4.39487702    -14.19569619
  H     10.86731762      6.25056414    -10.68443900
  H     17.60849351     10.24358564    -10.84037358
  O     15.92316331     10.93791275    -15.28550059
  H     18.30241861      8.94865590    -14.86743230
  H     18.35930486      9.04087613    -11.43735660
  O     18.51724394     10.61755046    -14.10870049
  H     17.51964478      8.29980207    -16.03979428
  H     15.15534669      6.39330424    -12.69097280
  O     12.33487574      8.16770305    -14.67191197
  H     10.39837777      9.01034597    -12.31622917
  H     14.45494537      5.96503051    -11.38477542
  O     16.33304248      8.91775156    -17.29570623
  H      9.24928747      9.28709525    -13.31465055
  H     17.21835973      7.48353262    -12.04195222
  O     18.26764790     10.00107540    -11.50077842
  H     11.08567559      5.69695552    -12.95258407
  H     18.46208825      6.60247989    -12.13712504
  O     14.73587389      5.63789359    -12.24842308
  H     10.14192489      6.89187280    -12.70836323
  H     15.65628443      7.22268250     -9.30297663
  O     18.00001940      7.19958921    -11.54104025
  H     13.30712440      5.47542357    -13.29670715
  H     17.10255182      7.28363455     -9.85843992
  O     16.53572962      7.58814562     -9.13775149
  H     13.04537802      5.09666827    -14.76675615
  H     13.88374766      7.89940674    -10.28094210
  O     13.90664500      6.98028723     -9.97523508
  H     13.95924330      9.84711419    -11.70994514
  H     12.99208378      6.73191699     -9.79389857
          69
 Energy    -250.51164858772211     
  O     12.04558396      7.45415003    -15.60476115
  H     11.83041429      6.51669500    -15.53921129
  H     14.66837824      4.49630421    -14.38604076
  O     11.64472823      8.96164522     -9.99287559
  H     13.00742894      7.53012850    -15.64462980
  H     12.27892108      6.54505145    -12.34889713
  O     16.88892090      5.65437548    -11.88900185
  H     11.24917918      9.32296710     -9.20369698
  H     13.36757287      5.60971683    -12.98598627
  O     14.01012584      2.53127755    -11.95125467
  H     12.53372586      8.65699204     -9.74034925
  H      9.76373583      9.41187323    -14.71278618
  O     14.09041874      7.97234976     -9.29754221
  H     16.63923507      6.52261462    -11.54128964
  H     11.03443864      8.52859968    -14.72366593
  O     17.58903713      8.69244712    -15.14250867
  H     16.60729098      4.98440159    -11.25631482
  H     18.63068012      6.06640306    -12.44569653
  O     12.19924903     10.45446282    -12.38192926
  H     14.72075855      2.80055498    -11.35771773
  H     19.27442913      7.43197794    -12.71551595
  O     16.21579363      5.39491596    -14.56085270
  H     13.18958866      2.66925695    -11.46043783
  H     13.90757834      7.93018656    -12.67347597
  O     11.62844589      3.28004423    -10.52991940
  H     13.94636342      7.01726463     -9.28252101
  H     13.65089501      9.47173747    -12.73524910
  O     18.51730790      9.20054632    -12.62020293
  H     14.91481244      8.11844071     -9.77799862
  H     16.16384454      3.49251677     -9.24333988
  O     13.52002518      5.25877742     -9.84304398
  H     16.65627142      8.55044491    -15.34219609
  H     15.02562398      4.32542793     -9.88372894
  O     13.79448800      4.18527857    -14.11435789
  H     18.03780168      7.88266401    -15.41600800
  H     15.62005527      8.52971656    -11.72981335
  O     13.22033727      6.32389157    -12.35433169
  H     11.55771130     10.10775990    -13.01567590
  H     17.12712344      8.65003051    -11.44452521
  O     10.44738031      9.05666222    -14.15175615
  H     11.96132129     10.07710913    -11.52539536
  H     19.50200371      5.75510540    -16.02118003
  O     19.38724639      6.48672249    -12.87778595
  H     16.41805827      5.48248266    -13.61655468
  H     19.10696827      6.18903114    -14.58807627
  O     14.31825076      8.78607784    -12.87302744
  H     17.05301967      5.50522287    -15.02611307
  H     10.44066011      7.88271421    -12.73673644
  O     15.81644290      3.79349329    -10.07916133
  H     11.13653412      3.71039730    -11.25219544
  H     10.87410599      7.81072227    -11.24631966
  O     16.31188915      8.26400917    -11.10206154
  H     11.01109870      2.70383668    -10.08732886
  H     14.69758708      8.22609627    -14.51923324
  O     18.78214018      6.10328032    -15.50283028
  H     18.97596015     10.03653991    -12.61288760
  H     15.29404381      6.92785461    -15.12344360
  O     10.60159203      7.27459754    -12.00245180
  H     18.14799731      9.09474069    -13.51544052
  H     11.16795397      4.09697544    -15.93169720
  O     14.86986167      7.76496732    -15.35578515
  H     12.81300562      4.60230134     -9.86946760
  H     12.26811860      4.41919512    -14.89246531
  O     11.38380061      4.67941304    -15.20744429
  H     13.49963528      5.68489106    -10.71572933
  H     10.56909961      4.55186790    -13.46166963
  O     10.31952489      4.56625955    -12.53043259
  H     13.90703228      3.51892553    -13.41996586
  H     10.22778038      5.50044056    -12.29506215
          69
 Energy    -250.51087475727786     
  O     11.95967704      9.77920074    -15.86897364
  H     12.27198513     10.69005491    -15.82764999
  H     15.95776578      5.84993328    -15.79644682
  O     16.37116573      7.17863669    -13.02602081
  H     12.67501171      9.27595837    -16.28271852
  H     19.14338162     10.79374108    -12.30859264
  O     15.75729872     11.26361307    -11.13174210
  H     15.52322557      6.96393160    -12.61409811
  H     19.52910993      9.65814197    -13.27519539
  O     17.31761778     11.49440955    -14.92008150
  H     16.84993148      7.71088009    -12.37710899
  H     15.76982856     11.05966203    -17.54184685
  O     14.12425053      5.65156726    -16.21630565
  H     15.16177525     11.34843668    -11.89041843
  H     16.23306522     11.88540305    -16.33439113
  O     14.05928939      9.90033521     -9.44982801
  H     15.21179685     10.93137653    -10.40450311
  H     15.88676721      8.57899581    -14.06299033
  O     14.00292172      6.87732888    -11.59249559
  H     17.52456186     11.89129571    -14.06581133
  H     15.09302196      9.01575592    -15.33071418
  O     14.01620216     11.15486246    -13.26851858
  H     16.75439449     10.72219190    -14.75161821
  H     11.23206187      8.86958911    -14.59741359
  O     18.24390229      7.78113640    -17.14041860
  H     13.61109095      5.77903185    -15.39721931
  H      9.93804993      8.28597949    -13.97961053
  O     15.63373561      7.47231339     -9.35405635
  H     13.76221382      4.88321420    -16.64901664
  H     13.13907651      6.19513407    -13.11092423
  O     19.35208009      9.55418046    -15.10908041
  H     14.50022002      9.06697328     -9.24616030
  H     12.02768861      6.80761818    -13.98252811
  O     16.85067315      6.11958907    -15.55145675
  H     13.39057189      9.69076559    -10.11537842
  H     18.21208611     13.23329525    -11.93002533
  O     19.45116500      9.88032341    -12.33584263
  H     13.52019765      7.71487903    -11.66120299
  H     17.20745664     12.06829083    -11.79208214
  O     15.54631386     11.83419188    -17.01599979
  H     14.47845850      6.90771322    -10.75361095
  H     18.16378137      9.12399312    -11.40462026
  O     15.57804346      9.34404226    -14.56356315
  H     14.54166199     10.46730466    -13.70886156
  H     16.74985895      9.66862346    -11.08637776
  O     10.88478072      8.31802506    -13.87265003
  H     13.67357433     11.71067062    -13.97649785
  H     16.50151966      9.37005693    -19.29238642
  O     12.70937012      6.12446409    -13.97278140
  H     17.75573288      7.16447108    -16.56463947
  H     17.02770883      8.84610651    -17.93874849
  O     17.96959137     12.38928990    -12.30264402
  H     18.97760969      7.29092907    -17.50343077
  H     11.86925403      8.94982837    -12.40785597
  O     17.30354262      8.87868670    -11.03066160
  H     16.07710682      7.02377313     -8.63870130
  H     13.01499763      9.97378854    -12.30159127
  O     16.30602991      9.34232184    -18.35862436
  H     16.32407358      7.91657187     -9.87580180
  H     14.02756560     12.17924733    -16.21170610
  O     12.56757964      9.26351399    -11.81981653
  H     18.75523052     10.31299840    -15.16498527
  H     12.88756346     13.19533419    -15.97729330
  O     13.21524833     12.34395962    -15.70034575
  H     19.02413921      8.92753196    -15.76094269
  H     14.17612450      7.42505422    -16.72134940
  O     14.17900211      8.38735659    -16.80669115
  H     16.80079555      6.38933304    -14.62383314
  H     14.84292927      8.63728548    -17.46119592
          69
 Energy    -250.51054152413326     
  O     -1.98540194     -2.48913845      7.92383080
  H     -2.51121497     -1.82304247      7.44521288
  H      4.57431458     -2.75550762      2.84040647
  O      2.17455659     -0.19256500      2.87706712
  H     -1.95593641     -2.21414573      8.83599937
  H     -0.13031397     -2.04347878      2.83144846
  O     -2.54879808     -0.11542511      3.94725032
  H      2.77530629     -0.94342665      2.94364570
  H      0.60717090     -2.93277425      1.78291730
  O      2.15237212     -4.39415029      4.68754591
  H      1.46514015     -0.37015440      3.51178846
  H     -1.56676582     -3.78204139      2.40759304
  O     -3.51136909     -4.46987231      6.50937261
  H     -2.27059973      0.39496275      3.17183766
  H     -2.36777626     -4.84018634      1.61911227
  O     -0.10330310     -3.28086953      6.00473844
  H     -3.06030791     -0.85949639      3.60307471
  H      1.89816244     -2.91283974      0.13670457
  O      0.86167606     -6.54731187      3.68987191
  H      1.53258822     -3.90634295      5.24435490
  H      1.76911116     -4.34428345      0.79265966
  O     -5.29776083     -2.82147840      5.30507077
  H      2.67734316     -3.74605645      4.20369595
  H     -3.52810680     -3.02310454      2.71268555
  O     -1.77612047      0.87169954      1.51614055
  H     -3.00587648     -3.90980033      7.11158237
  H     -4.61817300     -2.42073264      3.63594978
  O      0.78457436     -5.82260300      0.90798055
  H     -2.85995735     -4.95693898      5.98807854
  H      1.07512249     -0.89399834     -0.49829877
  O     -1.86685420     -5.28388108     -0.14973572
  H     -0.63202008     -2.99786959      6.76121092
  H      0.16683126     -2.00417794     -1.04517488
  O      3.63884175     -2.64378446      2.98974209
  H     -0.58641132     -4.01144738      5.59349630
  H     -0.86879337     -0.67328990      4.31981807
  O     -0.26194148     -2.65334163      2.09587707
  H      1.38666211     -5.79629084      4.02336904
  H     -0.00777985     -1.79352579      4.98862455
  O     -2.35098023     -4.35512353      2.45200876
  H      1.33770524     -7.33912826      3.92757442
  H      1.32526738      1.45405956      0.33910098
  O      2.15946595     -3.46279286      0.88974037
  H     -4.69983160     -3.47346035      5.71390999
  H      1.41255257      0.34676616      1.41161297
  O     -4.08306793     -2.24178321      2.85226552
  H     -6.18060523     -3.04403011      5.58817377
  H     -1.08537108     -2.47143146      0.47899473
  O      1.09113869     -1.73823504     -0.96991723
  H     -2.36156919      0.32424497      0.98137764
  H     -2.35941118     -2.01072204     -0.26305146
  O      0.01619989     -1.05993147      4.35994448
  H     -0.88478150      0.76140518      1.16313239
  H     -3.18131518     -0.39603932      5.67849975
  O      0.93934615      0.62308161      0.60639964
  H     -0.11403679     -5.75834303      0.56648770
  H     -4.26450101     -1.39108781      6.12743522
  O     -1.56580355     -2.55037200     -0.36098677
  H      0.72112515     -6.12248177      1.82358820
  H     -1.88955419     -5.10439653      4.00428396
  O     -3.55411838     -0.82858121      6.45864070
  H     -1.76999099     -4.33840213     -0.35673442
  H     -0.72390298     -5.96453937      4.52085704
  O     -1.47722929     -5.43810228      4.81493511
  H     -2.22044908     -5.70269336     -0.93004161
  H     -3.96491614     -1.39758707      1.25809236
  O     -3.75159738     -0.97535698      0.40935357
  H      3.18605604     -2.96432744      2.18829972
  H     -4.56715547     -0.61333101      0.07152591
          69
 Energy    -250.50992509608204     
  O     -2.34898997      1.77767248      0.76940527
  H     -2.61393996      1.25296894      0.00240495
  H     -0.90703325     -3.44054599     -2.10597990
  O     -0.75679872     -2.47553854      7.47813450
  H     -1.39940956      1.91574483      0.66334780
  H     -2.51230137     -6.58536080     -0.11275394
  O     -0.86097514      0.24453602      4.88167228
  H     -0.21008512     -2.40748546      6.68278556
  H     -1.66669684     -5.52885459      0.63922009
  O     -2.52220378     -0.22959644      7.10290730
  H     -1.27484929     -1.66152210      7.50871204
  H      1.52013205     -0.08574522      2.87156514
  O      2.23122107     -1.86347568      2.88438148
  H     -1.41352416      0.26595912      5.67266704
  H      0.42479457      0.74950655      3.57268714
  O     -2.47301038     -4.44376824      6.72281967
  H     -0.44018931     -0.62868272      4.88211291
  H     -1.93308750     -1.09761200      1.68107150
  O      0.29865448     -2.27370002      4.87867840
  H     -3.15912220     -0.86928197      6.73681130
  H     -2.39342624     -2.37304003      0.92077560
  O     -0.52969873     -5.10966684      1.84725838
  H     -3.00474691      0.31496320      7.71894749
  H     -3.68867830     -1.46789894      3.13872392
  O     -4.13995347     -2.18043936      6.09989647
  H      1.78757142     -2.23004280      2.09986573
  H     -4.20095709     -2.75238048      2.42501937
  O     -2.58601084     -0.23556055     -1.19684457
  H      3.15119185     -2.10694813      2.82458692
  H      0.71558486      1.45811630      1.28279033
  O      0.79395683     -2.83756023      0.79908869
  H     -1.83571727     -3.80417679      7.08918578
  H      0.98104224      2.67575462      0.37121075
  O     -1.79185931     -3.81812441     -2.16806995
  H     -2.52458454     -5.16822229      7.33974615
  H      1.42949188     -2.69505089     -2.70092124
  O     -2.34719449     -5.64892526     -0.04792526
  H     -0.37669288     -2.85852329      4.50616648
  H      0.61215339     -1.63894781     -1.91927671
  O      1.04124403      0.75017595      2.83008800
  H      1.03119036     -2.22803722      4.25350996
  H     -2.10371040      0.20192302      3.55507958
  O     -1.67344722     -1.73381230      1.00057554
  H     -0.94817551     -4.76685354      2.64911044
  H     -2.68364088      0.75518936      2.20375886
  O     -4.01941622     -2.36708975      3.29087953
  H      0.04310378     -4.40781609      1.51301138
  H      0.37314670      0.62413742     -1.02159290
  O      0.50211322      1.85197799      0.41863508
  H     -3.73530973     -3.01551772      6.36407973
  H     -0.83080042      0.00848212     -1.74940048
  O      0.81325812     -2.59129081     -1.98096409
  H     -4.26647972     -2.24019536      5.14365403
  H     -4.69650078     -2.65043962     -2.74268194
  O     -2.73420906      0.02986193      2.84383833
  H     -3.22775620     -0.83981352     -1.58460688
  H     -3.29135858     -2.94017110     -2.15623919
  O      0.13617120      0.00843953     -1.72585963
  H     -2.18712359     -0.72345268     -0.45927811
  H     -2.01990065     -4.25592128      4.92083804
  O     -4.12798815     -2.46280831     -2.00109384
  H     -0.06498187     -2.39632391      0.90825123
  H     -2.53714700     -3.37976017      3.75282300
  O     -1.79038636     -3.92003199      4.04463326
  H      0.96329821     -2.84712240     -0.15007079
  H     -3.48809278     -4.26270046      0.48113927
  O     -3.91807572     -3.41697673      0.66681268
  H     -1.85878685     -4.50530514     -1.49281814
  H     -4.17616995     -3.05125295     -0.18925159
          69
 Ord_Energy   -250.508987    
 O   -3.33351016       2.41224265       1.30638433    
 H   -3.35742474       2.10352159       2.22012091    
 H   -3.25973248       1.60531926      0.772038460    
 O   -3.06496644       4.36954312E-02  -5.87288046    
 H   -2.64667273     -0.824122667      -5.81990623    
 H   -3.83582258      -2.90144002E-03  -5.29166031    
 O   -1.53249395       2.22819114      -2.49431086    
 H   -1.35258019       2.20721006      -3.44249964    
 H   -2.48636317       2.10243797      -2.39190197    
 O   -3.43510008       2.68991906E-02 -0.102916680    
 H   -4.02233315     -0.351250440      0.564378262    
 H   -2.79831910     -0.649360955     -0.357144266    
 O   -4.95947123     -0.304514706      -3.81769180    
 H   -4.40676022      -1.03341043      -3.50125599    
 H   -4.73317385      0.473691106      -3.28633571    
 O   -1.64029598      -2.37556148      -5.24643087    
 H  -0.932689726      -1.80298746      -4.89885759    
 H   -1.22364879      -3.00391173      -5.82988834    
 O   -3.33005857      -2.49657774      -3.00936747    
 H   -2.69862151      -2.30644989      -2.29815817    
 H   -2.80971265      -2.58094072      -3.81743550    
 O  -0.892113149       3.14664245      0.112241872    
 H   -1.07911444       3.00454378     -0.825192332    
 H   -1.73678100       3.05810118      0.573365569    
 O   -1.10024548       1.79756403      -5.23508501    
 H   -1.84996355       1.23403919      -5.49977112    
 H  -0.912063301       2.37035441      -5.97347307    
 O   -5.56224394       3.24320412     -0.114806257    
 H   -5.85855913       4.12861824       7.96229467E-02
 H   -4.79896116       3.06934786      0.461300999    
 O   -6.69436646     -0.977677524      -1.60088730    
 H   -6.31491375      -1.84281850      -1.40897262    
 H   -6.30624151     -0.711823881      -2.44229150    
 O   -5.03790379     -0.748723924       2.07342386    
 H   -5.75698519     -0.231571734       1.67500877    
 H   -4.57689142     -0.191158816       2.70991611    
 O   -3.29976344      0.888888061       3.65547299    
 H   -3.22256303      0.966747463       4.60210371    
 H   -2.49233079      0.440525919       3.34147930    
 O   -5.26519251      -3.48530483      -1.31493866    
 H   -4.59905672      -3.21721125      -1.96921408    
 H   -5.69652319      -4.26096439      -1.66675246    
 O   0.127740756      0.163234040      -1.59086883    
 H  -0.463875115      0.871795177      -1.88718545    
 H   0.472715229      0.434722751     -0.731955111    
 O   -4.08704185      -3.20653892       1.27520144    
 H   -4.50863600      -3.36180186      0.421954095    
 H   -4.52263689      -2.43083739       1.65810561    
 O   -1.10866284     -0.334820569       2.64715171    
 H  -0.470938027      0.127677634       2.09052944    
 H   -1.17594099      -1.23611569       2.30954480    
 O   -4.23162937       1.71524310      -2.07257438    
 H   -4.02129889       1.02449429      -1.42166841    
 H   -4.78538418       2.35193706      -1.60698962    
 O   -1.42997456      -2.95858169       1.56633961    
 H   -1.05521798      -3.75101304       1.94052982    
 H   -2.39363933      -3.10172796       1.50692570    
 O   -6.80618715      0.696809888      0.614742279    
 H   -6.85488319      0.153147712     -0.187322229    
 H   -6.53685474       1.57731760      0.336599022    
 O   -1.59633529      -1.88168061     -0.995393932    
 H   -1.39356959      -2.31448817     -0.157009557    
 H  -0.904764771      -1.23415327      -1.19229686    
 O   0.193177104     -0.592068732      -4.32218456    
 H   0.344356984     -0.429694921      -3.38284230    
 H  -0.102136210      0.251587600      -4.68807459    
 O   0.704752326       1.14605880      0.988887310    
 H   0.170363083       1.91785932      0.725861430    
 H    1.52771807       1.48565888       1.33124077    
          69
 Energy    -250.50898386647447     
  O     11.43340939      9.39854276    -10.71540422
  H     11.47204270      8.64578578    -11.31928339
  H     11.62063736     12.80564606    -10.82991323
  O     11.54406792      7.21063698    -12.43055799
  H     11.42463695     10.20943517    -11.24050526
  H     10.41403061      9.06842029     -9.27549409
  O      9.63356575     10.90640458    -13.91320658
  H     11.37653649      7.62973895    -13.28473817
  H     10.02588776      9.51855740     -7.84486538
  O     13.64608626      9.41027652     -9.14666015
  H     10.75939386      6.71681460    -12.15841744
  H     11.25907342     11.41425315     -7.25344243
  O     13.70297586      6.62337227     -8.74669002
  H     10.05732854     10.08224063    -14.18268956
  H     10.20024410     11.50211664     -6.13297555
  O     14.19842979     14.52892774    -11.08573386
  H      9.04683213     10.71056701    -13.17045778
  H     10.62286106      7.09662868     -8.57898433
  O      8.01987144     10.77410501    -11.53630754
  H     13.77734931      8.49654180     -8.86958868
  H     10.51277360      6.00710022     -9.65812329
  O     14.20255243     12.21559367    -12.78711539
  H     12.87449893      9.40228991     -9.73565670
  H     15.71390572      9.83699107    -11.55512452
  O      8.03619781      8.16030582    -10.42220569
  H     12.74565592      6.44439243     -8.77858785
  H     14.85038277     10.09568200    -10.30033719
  O     14.14636885      6.71565299    -11.56902867
  H     14.07222624      6.02462031     -8.10342936
  H     11.28711024      8.49708837    -15.67223704
  O     15.30195090     12.82787582     -9.27061025
  H     14.61805880     15.38478192    -11.10258123
  H     12.20251875      9.15596659    -14.61631527
  O     11.76855498     13.39704998    -10.07293914
  H     14.66517524     14.00062880    -10.41300270
  H     10.92356039     11.58173344    -12.89620442
  O      9.93117926      8.79841780     -8.47682148
  H      8.48030517     11.26253198    -10.83230245
  H     12.43883973     11.85641503    -12.53558703
  O     10.35083437     11.16689103     -7.01305711
  H      7.18452332     11.21997993    -11.66155741
  H      9.45333787     11.81326677     -8.64008571
  O     11.02346254      6.27012243     -8.88537985
  H     14.22474923     13.09955560    -12.40208062
  H      9.99627307     12.77710956     -9.69473244
  O     15.44451598     10.52468536    -10.93373563
  H     14.64732365     11.63751100    -12.14834689
  H     13.94305562     10.74291199    -14.00610804
  O     11.33437623      8.73323619    -14.74912140
  H      8.52284910      8.35957749     -9.61010871
  H     14.46601698      9.30667456    -13.88222976
  O     11.55279303     11.72252672    -12.17601859
  H      7.97134122      9.00211170    -10.88907836
  H     16.53485839      7.98799501    -13.15696697
  O      9.26172707     12.17808987     -9.51106287
  H     14.07109562      6.61720589    -10.61326949
  H     15.22300710      7.78567194    -12.35866226
  O     13.78316172      9.84071907    -14.30725722
  H     13.24304077      6.80327861    -11.90445816
  H      8.81505921      6.72924276    -11.00566548
  O     15.77762891      8.44995595    -12.80807178
  H     15.53844905     12.04458061     -9.78584409
  H      8.75173107      5.23897529    -11.41843889
  O      9.35543675      5.95992960    -11.26323590
  H     14.62594190     12.54328936     -8.64505431
  H     12.48787613     12.34051023     -8.74616799
  O     12.84816461     11.82235131     -8.00988894
  H     12.47983383     13.98428244    -10.35041787
  H     13.14244586     10.96583843     -8.35446061
          69
 Energy    -250.50809910353885     
  O     -4.15979514      5.53286872      3.18111649
  H     -3.43084461      5.16892277      2.65065655
  H     -2.46105485     -2.94123900      0.78341646
  O      1.33950032      1.16011259      2.04873836
  H     -4.03864105      6.47920122      3.19635916
  H      0.12120772      2.71202209     -0.65519664
  O     -2.29511918      0.33561649      3.82638006
  H      2.21868128      0.84925924      2.25180809
  H      0.95018544      1.77614765      0.25599541
  O     -5.20916357      1.51554075     -0.09454285
  H      0.75874064      0.38088875      2.06813153
  H     -6.38424749      3.31585200      3.45533918
  O     -3.02078969     -2.17590119     -0.94482827
  H     -1.98696177      0.88821094      4.55324491
  H     -5.84713164      4.61376170      2.84207063
  O     -0.53153313     -0.84740124      2.10392877
  H     -2.73931403      0.92586542      3.19633879
  H     -1.16033911      4.69899893     -1.56126966
  O     -6.57963381     -0.69496098      4.32646128
  H     -6.07652074      1.87229051      0.13114491
  H     -1.87459199      3.39881466     -1.11643871
  O     -7.55935366     -0.28751427      1.84025472
  H     -5.22833831      0.56173742      0.07339048
  H     -7.31867335      3.04905572      1.55805822
  O     -3.69099129      3.73921930      5.40053618
  H     -2.91140945     -2.59384970     -1.79518243
  H     -8.42160112      2.84474183      0.49248989
  O     -1.25794504     -0.11464529     -0.52354333
  H     -2.37732194     -1.44769094     -0.90733701
  H     -1.38884427      4.00066508      2.35524526
  O     -5.15251317     -1.15787018      0.58710048
  H     -1.09018663     -0.41054098      2.76412369
  H     -1.83789147      4.31470982      0.89380834
  O     -2.14918215     -3.03971756      1.69069334
  H     -0.91099619     -1.72835623      1.97843735
  H     -3.76045407      1.93573898     -1.09988363
  O      0.62066891      1.88689337     -0.64453993
  H     -7.02203167     -0.56404295      3.46784702
  H     -2.37647785      1.26159159     -1.15102393
  O     -6.59697169      4.00908720      2.81399751
  H     -7.21965995     -1.09247580      4.91056076
  H     -4.97485409     -1.44254517      3.66904214
  O     -1.25479517      4.09550122     -0.82926175
  H     -7.67980184      0.61971701      1.53424594
  H     -3.50626033     -0.99015502      3.50199299
  O     -7.66246148      2.42801491      0.89127693
  H     -6.88109788     -0.68131569      1.27586616
  H      0.40902457      2.55880808      2.92891052
  O     -2.13700094      4.29489098      1.81096686
  H     -4.38522791      3.09153854      5.21277661
  H     -0.46516489      2.91765903      4.15827605
  O     -2.86601766      2.03834623     -1.45083441
  H     -3.81849553      4.44309806      4.75460168
  H     -2.22273070      2.84770152      5.61713250
  O     -4.16560896     -1.61828514      3.17383202
  H     -0.55273201      0.50965403     -0.74983867
  H     -1.14487381      2.28176315      6.57193242
  O     -0.13796028      3.25349296      3.31488791
  H     -1.09502477     -0.35239391      0.39872972
  H     -4.89771988      1.91933107      3.55946183
  O     -1.43338682      2.27782189      5.66352472
  H     -4.53258281     -1.56713555     -0.02886661
  H     -5.86497981      1.04639044      4.41334970
  O     -5.50830739      1.93515988      4.31292754
  H     -4.78817829     -1.29909699      1.47296299
  H     -3.14608930      2.79037653      2.03588774
  O     -3.68018750      1.99904338      2.18254438
  H     -2.88123330     -2.75548369      2.25374932
  H     -4.18209372      1.83948758      1.37421840
          69
 Energy    -250.50783984450612     
  O     18.93937788      9.24839621    -10.74915821
  H     19.26475948      9.80726587    -10.03411150
  H     12.61797676     10.22825829    -10.63096360
  O     12.86415597      7.06250750    -10.29387979
  H     18.02038826      9.02598568    -10.52378443
  H     19.35465554      4.34167428    -12.11886572
  O     12.06430560      9.14939648    -12.06096133
  H     12.88372922      7.50986672     -9.43996481
  H     18.10746591      4.26951208    -11.20999738
  O     18.18902219      8.99873217    -13.38866125
  H     12.52032143      7.71134875    -10.92161416
  H     15.48607230      6.47555317    -11.98225382
  O     19.84007811      6.71232953    -10.13558425
  H     11.27982952      9.21929571    -12.59795046
  H     14.41977462      6.41896852    -10.82311527
  O     19.53993240      7.81673750     -7.52873906
  H     12.82418028      9.19607730    -12.66873444
  H     20.66844865      5.89033187    -11.44650410
  O     17.49253438      5.27752683     -9.66758794
  H     18.54494716      9.14387483    -12.50045871
  H     21.85928734      5.13630853    -12.08422112
  O     14.21948567      9.24767781    -13.67743092
  H     18.74408615      8.32350420    -13.80629409
  H     20.13497238      6.37484716    -13.66932631
  O     16.92573013     11.27963414     -8.16303878
  H     19.58487598      7.60127095    -10.42248154
  H     18.88537403      6.14303885    -14.52704326
  O     16.40524174     11.10468390    -13.49136640
  H     19.02211478      6.21045433    -10.00133257
  H     16.17669861      8.67911971     -9.20239387
  O     15.63200488     11.23010172    -10.72645925
  H     19.84316296      7.39844845     -8.34498042
  H     15.96811216      7.82617118    -10.48796485
  O     13.01201292     10.64932151     -9.85562547
  H     19.56126239      8.76687651     -7.69497240
  H     20.09659684     11.27769936     -8.03751698
  O     18.44874948      4.00959249    -12.07397884
  H     17.34899415      5.53475057     -8.75014542
  H     18.61246481     10.88935151     -8.23799193
  O     15.34141706      6.23286202    -11.05792016
  H     16.69629969      5.54638192    -10.15284751
  H     16.14105129      7.95298916     -7.19627762
  O     20.95339760      5.39371751    -12.23338960
  H     14.85848614      9.96892397    -13.65617206
  H     14.79047836      8.69430805     -7.51047484
  O     19.55568815      6.80296449    -14.31167310
  H     14.74332022      8.43812813    -13.74396179
  H     16.43238313      6.34186739    -13.97852999
  O     16.35725589      8.64121882    -10.15124840
  H     16.48416639     11.45887799     -9.00292749
  H     16.77931149      7.76446998    -13.46704592
  O     19.52891276     10.57528360     -8.34223076
  H     16.47132410     10.52157742     -7.77083831
  H     18.08618126      6.94582619     -7.12721816
  O     15.75091958      8.79693440     -7.45591687
  H     17.07591921     10.40183791    -13.52270953
  H     17.34828373      5.92827006     -6.22485510
  O     16.05300988      7.13582560    -13.58033681
  H     16.65602128     11.74637664    -14.15152335
  H     12.26705150      8.86978977     -7.35982590
  O     17.25719956      6.44339585     -7.02273695
  H     15.81592521     10.28755684    -10.58479334
  H     12.99804631      9.48325696     -8.57855374
  O     13.01197431      8.74429278     -7.94175229
  H     15.88327709     11.39785012    -11.64069375
  H     17.72523744      4.50033881    -13.59036721
  O     17.42371892      4.86625012    -14.44128382
  H     13.86272810     11.00049819    -10.14847190
  H     17.24246266      4.12447177    -15.01170711
          69
 Energy    -250.50723142087048     
  O     19.83315298      8.87956635     -7.63374546
  H     20.22142330      8.10471179     -8.06526133
  H     17.80066359      7.59140566     -4.93495336
  O     17.14296927      5.10407501    -11.27917660
  H     19.24464287      8.52532425     -6.95715014
  H     17.31335645      9.95274310     -9.31524607
  O     16.69241351      7.35882977    -14.90683559
  H     17.78896908      4.55634596    -11.74060931
  H     17.23096170      8.48456599     -9.74728428
  O     16.99827113      9.68589821    -13.26317729
  H     17.59879476      5.93131850    -11.05072977
  H     19.91899602      5.87243253     -8.41223268
  O     21.04390805      7.80508612    -13.13819546
  H     16.19831417      7.30455169    -15.72129374
  H     20.82635124      6.05120862     -9.69383487
  O     15.25080592      6.46675395    -12.75173502
  H     16.12878661      6.97830273    -14.21163640
  H     18.36922242      6.54371522    -14.62882597
  O     19.36574039      9.59551689    -11.92072723
  H     16.94646877      8.98993252    -13.92953085
  H     19.80999364      6.71968100    -14.07688599
  O     18.62700103      5.13280366     -7.37736461
  H     16.21012936      9.58022906    -12.71515185
  H     12.57368694      8.01623598     -9.52764656
  O     13.33012201      4.50405869     -9.04311319
  H     21.82271863      8.21947027    -13.50214024
  H     11.55272045      8.86448068    -10.32336095
  O     21.21341678      5.49811232    -11.36613135
  H     20.52455310      8.51075219    -12.71875860
  H     15.90425642      6.63447879     -7.91911205
  O     18.37512913      7.39013901    -10.53024635
  H     15.16009192      7.31243873    -12.28707750
  H     16.02946064      8.17956643     -8.10032075
  O     18.00146360      7.53129813     -5.86565942
  H     15.87838143      5.92232924    -12.25377055
  H     15.46493129      9.10124843    -10.71968381
  O     16.69493061      9.21974649     -9.40589546
  H     18.54615877      9.74047970    -12.42158396
  H     13.99727764      8.85813739    -11.16353063
  O     20.44000139      6.50422586     -8.93098436
  H     19.32031617     10.10981806    -11.10571311
  H     19.31374657     11.65470319     -9.03451305
  O     19.18026018      6.06892828    -14.41159415
  H     17.76931926      4.93737820     -7.77443604
  H     19.37499189     10.13970222     -8.72263974
  O     12.36725087      8.37655871    -10.40896084
  H     18.47048726      5.85038297     -6.75117325
  H     16.44039287      4.95747882     -9.61564174
  O     15.77196330      7.48646077     -7.47512882
  H     12.78540596      3.72748978     -8.94739592
  H     15.16668884      4.71831215     -8.76788093
  O     14.90221449      8.93650704    -11.48984007
  H     13.15420401      4.86385784     -9.93102033
  H     13.03380917      6.23641396     -8.25757987
  O     19.04214815     10.80055684     -9.35864658
  H     20.59476159      4.87659461    -11.76735580
  H     13.90655928      7.38288046     -7.71865257
  O     16.08598796      5.00785406     -8.71646114
  H     21.23519723      6.26296319    -11.95386852
  H     19.18649689      4.65260873    -13.41749940
  O     13.02652488      7.18194698     -8.06252357
  H     19.08947405      7.09527873     -9.94741605
  H     19.40165293      3.13037191    -13.22272005
  O     19.20783477      3.93770579    -12.75448198
  H     18.73257123      8.07754080    -11.10550505
  H     13.61950121      5.86040220    -12.00506596
  O     12.85882066      5.73247222    -11.42404620
  H     17.15198647      7.55580355     -6.33673071
  H     12.56106377      6.61938937    -11.18622762
          69
 Energy    -250.50715133083105     
  O     13.21705786     11.31932811    -15.91495829
  H     13.43530253     12.11893206    -15.41932852
  H     16.95076291      3.70420010    -12.81088993
  O     17.10122774     10.64349293    -13.71457172
  H     12.88697859     10.68430916    -15.26684049
  H     13.78635143      8.98997433    -10.73485845
  O     12.95242454      5.63838554    -11.87886975
  H     16.24582525     10.82822928    -13.30674517
  H     14.67200027     10.17450361    -11.19104400
  O     17.24446720      6.20898786     -8.79623227
  H     17.71538776     10.40767742    -13.00342032
  H     18.75825688      6.41134985    -16.19370052
  O     16.61195055     12.67939324    -15.57681715
  H     13.15718017      5.34662096    -12.77426100
  H     17.67594063      7.39695171    -15.70344183
  O     15.90708591      7.38321404    -12.13607242
  H     13.70063916      5.36574453    -11.32952271
  H     14.22176962     14.42993709    -14.30491205
  O     14.56318639     11.26661381    -12.65963535
  H     17.91657380      5.88685706     -9.42430372
  H     15.16764906     13.31247850    -14.80949165
  O     18.60919491      7.12940397    -12.76199355
  H     17.56246718      5.99855518     -7.92198584
  H     13.39957812      8.80449652    -14.15346390
  O     18.67528535      9.74190272    -11.69060766
  H     16.97445872     12.06351341    -14.92342039
  H     12.39680239      9.08049856    -13.01349152
  O     16.54939460      4.41061794    -14.33639250
  H     16.33787418     12.13292523    -16.32246685
  H     15.21711819     10.93758724    -18.34784785
  O     13.78295340      5.09873817    -14.59668079
  H     15.61420198      8.12131629    -11.58615429
  H     14.59215458     10.94077502    -16.93320630
  O     17.10324486      3.35123598    -11.91577205
  H     15.70759178      6.57172104    -11.65229113
  H     11.37390441      8.15288826    -10.83544281
  O     14.65689687      9.39090386    -10.62307417
  H     13.92649563     10.67073469    -13.08054317
  H     12.41864601      7.26037888    -11.54351802
  O     18.10148286      6.54456128    -15.51399169
  H     14.45042027     12.12623871    -13.08242367
  H     15.90754078      4.42098758    -10.98571206
  O     14.31273770     13.48389181    -14.37438400
  H     18.60841830      6.90887869    -13.69884191
  H     15.88585876      5.46996568     -9.84213152
  O     12.76670621      9.45867197    -13.82059887
  H     17.67894986      7.26671885    -12.52228466
  H     18.95872346      5.90741681    -11.42563944
  O     15.41770308     10.78930520    -17.42766113
  H     18.89173697      8.86848808    -12.04037167
  H     18.41353654      4.50220658    -11.12000888
  O     12.16848610      8.18394316    -11.36202968
  H     18.23798462      9.58247226    -10.84196530
  H     15.11960705      7.53390944    -13.68854583
  O     15.36830189      5.11086136    -10.57550257
  H     17.03307370      5.12336338    -14.76968274
  H     15.36149250      8.08368128    -15.11882986
  O     18.88858124      5.24350600    -10.72502039
  H     15.60992248      4.57691893    -14.47949010
  H     17.20521208      8.11271227     -9.16784361
  O     14.70690262      7.64778072    -14.56058295
  H     13.18977877      4.90368940    -15.31811173
  H     16.27149005      9.24381186     -9.63656955
  O     17.18962990      9.04510145     -9.41231934
  H     14.04443499      6.03169717    -14.69060245
  H     16.38186747      9.51286014    -16.50622908
  O     16.79004131      8.94495276    -15.84109228
  H     17.16780650      2.40400040    -12.00062534
  H     16.97856399      9.50541242    -15.07078889
          69
 Energy    -250.50708308489840     
  O     -7.65825066     -4.64171786     -1.11153921
  H     -7.51078430     -5.49708743     -0.71649730
  H     -4.73843702     -3.78221416     -6.85004120
  O     -2.59026749     -1.35827308     -3.64803078
  H     -6.78373668     -4.23440933     -1.23517558
  H     -1.29966875     -2.01611994     -4.88083211
  O     -6.18050174     -0.71597723     -5.70612590
  H     -2.58494837     -1.00399719     -2.75137356
  H     -1.28686626     -2.07245981     -6.41943147
  O     -7.09632339     -0.48729320      1.04479773
  H     -3.07202238     -2.19719044     -3.63532338
  H     -8.11752464     -4.26605448     -2.99523110
  O     -3.55365833      0.14499370     -5.76923221
  H     -5.27079037     -0.39602044     -5.79977347
  H     -8.64083949     -2.99444317     -3.66794934
  O     -1.97456439     -4.96612783     -5.57670913
  H     -6.75190093      0.05913130     -5.69181528
  H     -5.71044524     -2.49273105     -2.02738647
  O     -6.05821049     -3.47129086     -5.53303679
  H     -7.33039288     -0.16593980      1.91235424
  H     -4.73944076     -3.66225198     -2.26822788
  O     -2.52294886     -1.49722373     -7.79048150
  H     -7.22079747      0.25843902      0.43140306
  H     -5.42621016      0.38638578     -2.34600362
  O     -7.35379871      1.54941838     -0.73914562
  H     -3.20114157     -0.30979870     -4.98957202
  H     -4.11322805      0.86946789     -1.69165979
  O     -6.31586840     -1.05653653     -2.92687569
  H     -3.17551739     -0.29543699     -6.54058015
  H     -8.29791660     -1.71835402      0.22565977
  O     -2.70812255     -0.21584241     -1.05156100
  H     -1.47875529     -4.12766752     -5.59784448
  H     -8.55650869     -3.09836246     -0.43774179
  O     -3.91322885     -3.79312232     -7.35260758
  H     -1.33330506     -5.66969731     -5.61851619
  H     -8.54076054      1.63714518     -3.87355312
  O     -0.89401304     -2.46983117     -5.63199699
  H     -6.15957020     -2.52847216     -5.72566223
  H     -9.80357974      2.13362022     -3.13694544
  O     -8.22254781     -3.84518311     -3.85567817
  H     -6.83192502     -3.72062546     -5.00651986
  H     -9.25637994     -0.37202239     -2.91212625
  O     -5.33866571     -3.28600343     -1.61018471
  H     -2.33403776     -1.40095944     -8.71987405
  H     -9.16917962     -1.58004685     -1.91993245
  O     -4.93758960      1.18231177     -2.08012965
  H     -3.06772153     -2.29942824     -7.69600401
  H     -4.75960222     -2.28851748     -0.18196989
  O     -8.93789368     -2.22337075     -0.29079691
  H     -6.47305933      1.59966535     -1.13704339
  H     -5.37236719     -1.17795756      0.69314132
  O     -9.07731543      1.51699198     -3.07428146
  H     -7.97663057      1.57239137     -1.47364688
  H     -4.89629064      2.05954218     -3.69574405
  O     -9.07605716     -1.31610099     -2.85035889
  H     -7.27143105     -1.14149354     -2.80512076
  H     -4.35988981      1.72116570     -5.10002781
  O     -4.53184245     -1.56050663      0.41302260
  H     -6.17677050     -1.01608977     -3.88123379
  H     -3.22997202     -4.36427004     -4.33521585
  O     -4.95954218      2.31346110     -4.62767152
  H     -3.32096947     -0.69976373     -0.46831172
  H     -4.65036340     -3.73758018     -4.42326364
  O     -3.88201706     -3.85240886     -3.84314597
  H     -1.96596632      0.04788379     -0.51439884
  H     -7.71470726      2.32928332     -6.14083253
  O     -7.50025240      1.82331315     -5.36107435
  H     -3.30092555     -4.34326833     -6.84871488
  H     -6.59762990      2.08281924     -5.09727945
          69
 Energy    -250.50590970867972     
  O     11.85896291     10.34904935    -10.56512140
  H     11.58462022     10.94070733    -11.27756997
  H     11.14599514      9.87440482    -15.72481592
  O     15.02539540     10.79965642    -12.59064962
  H     12.56370885     10.78946092    -10.07573008
  H     15.48159279     14.03064335    -14.94618131
  O     17.22832645     14.22076514    -14.27600124
  H     15.88768813     10.96531652    -12.18756319
  H     14.75175408     12.92181311    -15.74344902
  O     16.44830752      7.47230709    -13.75136202
  H     14.52127430     11.62046413    -12.56289752
  H     16.80497137     11.54270181    -16.09582600
  O     11.27531548     11.63947142    -13.02061815
  H     17.83013220     14.91058611    -14.54813081
  H     17.52927349     12.49569289    -15.13030147
  O     12.09193838     13.84532431    -16.51367105
  H     17.33181869     14.12602767    -13.31660670
  H     14.72321923     12.96012009     -9.91910853
  O     14.99032891     11.40746825    -16.70959650
  H     16.73297759      6.56220363    -13.73830964
  H     14.44072682     13.64826116    -11.26444997
  O     15.99678731      9.66007375     -9.49567401
  H     15.91955120      7.61250775    -12.94764169
  H     18.07640051     10.34463877    -14.34695719
  O     13.54759653     13.16923647    -12.74935181
  H     10.71217509     12.09963001    -13.65549863
  H     17.75580856      8.95483936    -13.73283320
  O     14.71168577      9.37011246    -14.88825720
  H     11.54918617     10.81386810    -13.44548859
  H     18.05111119     14.42808103    -10.91720271
  O     14.00965231     11.45546966     -9.01471369
  H     12.26862246     13.17985712    -17.19068619
  H     16.62282262     13.86446348    -11.11231986
  O     10.80762381     10.42029048    -16.44666641
  H     12.93640114     13.99845264    -16.07084390
  H     11.96039530      8.63703751    -13.42539708
  O     14.61076731     13.73736651    -15.23917797
  H     14.24332937     11.42449316    -17.31990268
  H     12.94142093      9.19117627    -14.49438468
  O     17.59096357     11.62670951    -15.54258139
  H     14.87357344     10.62554344    -16.14930010
  H     12.34492166     11.35794857    -19.06613392
  O     15.03723399     13.66191558    -10.50127074
  H     16.65528603     10.12759940    -10.03057973
  H     11.95254100     11.07113342    -17.59692553
  O     18.27478109      9.75501215    -13.60355555
  H     15.65329061      8.95744447    -10.06064507
  H     11.92864767      8.75251227    -11.20601995
  O     17.50888611     13.92219452    -11.51686756
  H     12.69746953     12.71924570    -12.84264616
  H     11.38155256      7.30534713    -11.28564983
  O     12.01728894      9.19904556    -14.20715703
  H     13.85211556     13.41638407    -13.63287214
  H     17.70152879     12.01017244    -11.42627433
  O     12.58577005     11.54762614    -18.16344507
  H     14.86712074      9.96655364    -14.13672095
  H     17.92757593     10.61795938    -12.12233790
  O     12.01773172      7.90011971    -11.67285086
  H     15.29486235      8.61654656    -14.74350378
  H      9.19299360     13.40981777    -15.28755015
  O     17.52491917     11.06657685    -11.36023921
  H     14.72077109     10.80330905     -9.14319752
  H     10.69993591     13.28927323    -15.61984685
  O      9.95718013     12.85387435    -15.16347248
  H     13.85005422     11.50148513     -8.07492603
  H     14.81079092      9.13000858    -11.90047983
  O     14.81346157      8.19566382    -11.63668846
  H     10.36745242     11.17133143    -16.02985820
  H     13.88697748      7.92942133    -11.60336566
          69
 Energy    -250.50584770989104     
  O     16.62384380     10.06878776    -16.90625330
  H     16.79364545      9.54218659    -16.10770527
  H     18.08715782      5.51078146    -12.87708747
  O     15.00682359      5.56219463    -13.05706003
  H     15.76058354     10.46911912    -16.76033880
  H     20.08366651     10.15151705    -16.63354668
  O     18.75470856     13.78769610    -11.50470299
  H     15.15932086      5.71907468    -13.99989828
  H     21.40534012      9.56207865    -17.18770498
  O     19.80985530      8.08181296    -14.37691846
  H     15.87758707      5.53055064    -12.64485412
  H     17.96065367      8.34307167    -14.50279964
  O     15.49380881      6.46220808    -15.66610373
  H     18.76996951     14.73964250    -11.54392656
  H     16.58253456      8.75426714    -13.85019047
  O     17.42290103     10.68332597     -9.53677051
  H     17.84286892     13.52577933    -11.27231438
  H     13.38218399     11.38495758    -16.27762166
  O     15.56903347      9.19956147    -12.38659393
  H     20.17004367      8.49709110    -15.17160917
  H     13.86349740     10.05770406    -15.65007522
  O     18.32057239     11.98014063    -13.68450284
  H     19.92600999      8.69513455    -13.63916179
  H     17.75716054      7.30873312    -11.28747637
  O     18.83467310      5.49498477    -14.43514024
  H     16.04318076      7.17503438    -15.30224620
  H     18.40982365      8.71595996    -11.46693578
  O     13.31181008      7.56828603    -12.49775138
  H     16.07950207      5.97779173    -16.25785757
  H     14.05118713      7.69885488    -15.56380246
  O     17.71000435      5.48185909    -17.09626815
  H     17.44192046      9.77022128     -9.84697998
  H     13.26234263      8.17045640    -14.33316638
  O     17.67281576      5.58178226    -11.99817947
  H     18.33663875     10.98678516     -9.59049173
  H     19.69693314     12.49914511    -10.62395833
  O     20.58917668      9.32638657    -16.75601051
  H     14.76729604      8.66508762    -12.33216289
  H     20.75938250     12.01581732     -9.61072494
  O     17.02949333      8.52559622    -14.67458876
  H     16.22432897      8.84089728    -11.77341204
  H     19.92345505     10.40047906    -11.56816007
  O     14.13351102     10.96954039    -15.86258880
  H     17.35617367     11.88855303    -13.67953279
  H     19.10055285     10.55308039    -12.85915036
  O     17.72082783      8.22800202    -10.99383684
  H     18.53670670     12.68894616    -13.06842897
  H     16.53065707     12.04019263    -10.44434706
  O     13.47146238      8.40323212    -15.24537634
  H     18.46104707      5.39837534    -15.31815158
  H     15.89264735     12.51246913    -11.78384861
  O     20.07504278     11.71079212    -10.20126923
  H     19.31564518      6.33559223    -14.43721553
  H     19.14436283      8.38910358    -17.62169131
  O     19.57538520      9.90433724    -12.31798955
  H     13.85968392      6.77414941    -12.64190321
  H     17.64430146      8.69447008    -17.77114136
  O     16.31488760     12.82274856    -10.97380095
  H     12.59456552      7.31322597    -11.92490967
  H     15.51493309     10.81730730    -13.04302930
  O     18.30815727      8.00754701    -17.91411764
  H     17.93504657      6.36994129    -17.42721964
  H     15.05805636     11.58306314    -14.30404572
  O     15.56320735     11.67839542    -13.48899489
  H     17.87165240      4.87489026    -17.81334965
  H     18.14517038     11.10554497    -16.66525353
  O     18.99451357     11.44942539    -16.35451947
  H     17.96594206      4.82318447    -11.49897727
  H     18.84361224     11.72627816    -15.44148793
          69
 Energy    -250.50522744876844     
  O     15.68089425     11.77191722    -11.42467542
  H     15.82774320     11.70202785    -12.37899926
  H     14.37891414      9.83803122    -16.64097980
  O     14.07965104      7.19450559    -14.97298236
  H     16.44111608     11.34646220    -11.01248344
  H     17.20799935      5.25355504    -15.18678774
  O     15.78166070      5.39756847    -11.14288255
  H     14.20555005      6.30335049    -14.62577649
  H     17.16544036      3.84319977    -15.81818048
  O     19.78963873      6.85112552    -13.13828323
  H     14.76972934      7.73336951    -14.55230933
  H     19.05823709     10.02217163    -13.62246949
  O     13.76753142     11.36292896    -15.65993283
  H     14.96138839      5.32448211    -10.63522221
  H     19.42735787      8.70730002    -12.88501658
  O     13.24894510      5.69285497    -10.07209675
  H     16.03661300      6.33029306    -11.07975896
  H     16.09382745      9.48063337    -13.87076264
  O     12.09747941      7.76024056    -13.14600586
  H     19.24023884      6.12557939    -12.79159284
  H     16.15759222      8.36120797    -12.79095149
  O     16.14377837      8.10727151    -11.01610807
  H     20.69475038      6.55497033    -13.08163166
  H     14.03171646     11.49487284    -11.04788652
  O     17.55180836      9.04007439    -16.99429550
  H     13.29217462     12.04971053    -16.12000159
  H     12.73847045     11.94991100    -10.32652734
  O     11.97820755      4.97014535    -12.57335784
  H     13.19973610     11.07718174    -14.92156966
  H     12.04057700      9.63061198    -13.43854176
  O     17.84734356      6.91841676    -15.16240535
  H     13.23671994      6.65822678    -10.11058985
  H     12.50503144     10.87580435    -12.65759269
  O     14.77214669      9.04100984    -17.01626547
  H     12.68227686      5.39635113    -10.79428251
  H     17.81712960      4.43475575    -13.28713423
  O     16.91272266      4.33783843    -15.04295827
  H     12.73852136      7.64619647    -13.86433943
  H     17.40964648      4.88085362    -11.87347083
  O     19.23754847      9.64429237    -12.75370904
  H     11.81245755      6.86775016    -12.92000995
  H     14.98218556      5.01813894    -12.73580876
  O     16.10370266      8.52472844    -13.74118289
  H     15.21512564      8.32652709    -10.84586925
  H     15.27975968      4.47300459    -14.14818386
  O     13.09655821     11.26920994    -10.88920636
  H     16.70236354      8.82343839    -10.69308016
  H     18.24951929     10.22552684    -15.96189312
  O     12.28186881     10.55960299    -13.54146173
  H     17.74451901      8.20271263    -16.55479488
  H     19.20730096     11.42540547    -15.76698944
  O     18.17354506      4.76740088    -12.45546871
  H     16.58946991      9.06599911    -17.10489531
  H     13.24575739      9.43141273    -10.65757260
  O     14.56449521      4.77948388    -13.57745094
  H     11.42476952      4.22262153    -12.78585461
  H     12.98578942      8.23395008    -11.59656722
  O     18.59044495     10.86234416    -15.30734422
  H     12.84251123      4.80163985    -12.98424538
  H     18.40022737     10.06962044    -11.29570233
  O     13.41263972      8.48677733    -10.76553360
  H     18.63792776      6.89703683    -14.60893694
  H     18.51149654     10.41479458     -9.79099766
  O     17.88389017     10.24053620    -10.48693563
  H     17.21982960      7.49571168    -14.69916386
  H     15.37198249     11.41102430    -14.74821886
  O     16.09995966     11.30139860    -14.12242644
  H     14.42968988      8.31045260    -16.48583988
  H     16.93703773     11.30566894    -14.60401797
          69
 Energy    -250.50513524163296     
  O     12.21691498     11.34580678    -15.59962408
  H     11.63905197     10.80941416    -15.04322779
  H     19.34780283      8.99887689    -12.59138651
  O     15.55015487      6.66353169    -13.51321782
  H     12.64552026     11.99167683    -15.02617622
  H     15.37688747     11.58392140    -16.38363951
  O     16.41847522     10.06631624    -10.68496548
  H     16.14192888      6.82142960    -12.76464287
  H     16.62389409     11.92462295    -15.54647005
  O     17.75815432     10.70210059    -14.61042772
  H     14.65465581      6.58841807    -13.15776009
  H     15.44245714      8.40974547    -14.06456779
  O     13.98995999      7.27340476    -17.13717236
  H     16.04713460      9.82312982     -9.82700163
  H     14.99526190      9.51708721    -15.09166378
  O     12.70522911      8.40577501     -9.21158064
  H     15.70342044     10.46646806    -11.20039630
  H      9.72209562      9.38260368    -14.23382593
  O     12.99718122      6.71741389    -12.47600770
  H     18.15793075     10.86935936    -13.74864888
  H     11.09748055      8.72881208    -14.51402653
  O     14.40592669     11.01225208    -12.33630921
  H     16.92893523     10.22576604    -14.43837349
  H     16.32043977      6.60983362     -9.97187880
  O     13.21582865      5.65390193     -9.88988938
  H     13.82590820      6.75316364    -17.91948643
  H     15.62956397      7.29938008     -8.78663893
  O     18.76726499      8.36014565    -15.68004792
  H     14.88401940      7.03941337    -16.82974511
  H     12.67729756      7.27557507    -15.73235061
  O     16.43400200      6.69064967    -16.11947633
  H     12.42675612      8.79970067    -10.04980407
  H     12.34861020      6.94261849    -14.24873319
  O     19.39943938      8.07116956    -12.85294468
  H     12.72729808      7.45279737     -9.36098800
  H     19.29775967     11.35045135    -11.44241323
  O     15.82117672     12.30828055    -15.92078728
  H     13.00924762      6.22523029    -11.64580460
  H     17.96514791     10.56988570    -11.45108269
  O     15.39501665      9.35926790    -14.22512551
  H     12.78025861      7.63187071    -12.24446094
  H     16.87031640      8.30730235    -11.19518019
  O     10.66002626      9.50078278    -14.10912649
  H     14.22992770     11.84117045    -12.79698572
  H     18.01564834      7.49830890    -11.85991535
  O     15.72412789      6.44697244     -9.22784748
  H     14.72801131     10.39348833    -13.01362961
  H     15.11570901      9.46314588     -7.45734707
  O     12.00042018      7.35372992    -15.05078070
  H     12.99296225      4.83280715     -9.46015907
  H     14.25287434      8.94329551     -8.63145156
  O     18.75849487     10.77100717    -11.97483715
  H     14.14032983      5.85275502     -9.65494700
  H     11.61230068      9.47536968    -12.51543806
  O     17.16351779      7.41181905    -11.40877550
  H     19.44460536      8.49452887    -16.33939939
  H     12.96338591      9.98685625    -11.94197442
  O     15.16516740      9.14721402     -8.35555839
  H     18.45670577      9.24250819    -15.41898122
  H     14.64632898     12.91070663    -14.76248850
  O     12.25162492      9.34660938    -11.80374479
  H     17.23729598      7.21860102    -16.05618785
  H     13.85160577     14.07604456    -14.12891580
  O     13.95327978     13.12824864    -14.11293369
  H     16.17746978      6.49397220    -15.20582182
  H     14.14816024      9.14078573    -17.01721213
  O     14.33888264     10.03085953    -16.70022131
  H     19.25756288      8.05253810    -13.80683135
  H     13.50401409     10.44054747    -16.41986069
          69
 Energy    -250.50513402356992     
  O     11.26319558     11.25700528    -14.24527812
  H     10.95607500     10.59273660    -13.61627680
  H     19.16063430      9.51867400    -14.11366292
  O     15.48307576      6.83517470    -14.07826047
  H     11.80664086     11.88440539    -13.75463667
  H     15.36047220     12.38355981    -15.55019541
  O     16.97891433      9.98495923    -11.21927311
  H     14.77185642      6.60738566    -13.46491791
  H     13.93548904     11.98190496    -15.97453317
  O     16.84281328     11.21916763    -15.22755865
  H     16.27936263      6.98299843    -13.54951688
  H     15.04986630      8.60381897    -14.29987192
  O     12.73630522      7.64057109    -16.86132850
  H     16.94374169      9.60244932    -10.33294183
  H     14.18941150      9.75246089    -14.94899057
  O     14.14118157      7.71080730     -8.87578846
  H     16.10049660     10.34548162    -11.40768728
  H      9.55483089      8.85193196    -12.44504690
  O     13.44142332      6.44728376    -12.26784742
  H     17.49710740     11.33912051    -14.52901094
  H     10.80138811      8.41417476    -13.25257628
  O     14.45310377     10.84428723    -11.96350992
  H     16.16431966     10.62480388    -14.86633839
  H     17.41603199      6.48649658    -11.03204575
  O     17.61698718      9.15871162    -16.90157223
  H     12.35901941      7.19393841    -17.61482366
  H     17.11606345      6.94608609     -9.59803864
  O     14.61571251      5.13924388    -10.08221974
  H     13.69770492      7.48978459    -16.90105134
  H     11.98573154      7.31896892    -15.12069047
  O     15.42016727      7.26468923    -16.79598753
  H     13.56208714      8.15680201     -9.50909878
  H     12.21116537      6.78378494    -13.67750913
  O     19.19655643      8.64003684    -14.51169010
  H     14.18973560      6.79101994     -9.16320855
  H     19.31071558     11.70226446    -12.67752503
  O     14.44943717     12.70097308    -15.58067789
  H     13.77644105      5.87136754    -11.56948155
  H     18.12451410     10.76378195    -12.36545751
  O     14.87219816      9.55145870    -14.29400967
  H     13.24158908      7.29511708    -11.84577446
  H     17.37356242      8.36572586    -12.10298680
  O     10.46590019      9.07415975    -12.61766169
  H     14.06271349     11.69006142    -12.21363829
  H     18.28647376      7.78845274    -13.21720159
  O     17.12472117      6.16713463    -10.16669007
  H     14.57501572     10.35088923    -12.79240464
  H     15.74378722      8.37341589     -8.76055165
  O     11.57771141      7.23381268    -14.25173959
  H     17.34213411      9.95969347    -16.42612465
  H     16.90903496      8.86514940     -7.86968347
  O     18.67228715     11.12148513    -13.08390235
  H     18.01538409      9.45089532    -17.71858239
  H     11.90301378      8.99321770    -11.44485421
  O     17.64937813      7.54432986    -12.53043660
  H     14.62140347      4.25375141     -9.72951089
  H     13.32143740      9.60582579    -11.27546047
  O     16.67529606      8.66005321     -8.77098558
  H     15.54511266      5.42700481    -10.13562360
  H     13.69424543     13.01597864    -14.02655656
  O     12.75496324      8.86865843    -11.00840404
  H     16.15036502      7.88040056    -16.92139208
  H     13.06966481     13.99266439    -13.00333427
  O     13.24865620     13.06972589    -13.16161584
  H     15.50761518      6.93643716    -15.88832264
  H     12.77088186      9.48782986    -16.52525800
  O     12.98393219     10.35411460    -16.16021879
  H     18.74010117      8.70971280    -15.35854776
  H     12.26378870     10.62021875    -15.56521055
          69
 Energy    -250.50486940852682     
  O     -0.06739898      1.99397478      1.83591620
  H     -0.10464016      2.47916787      2.67453428
  H      0.91431566      1.42814094     -1.81115900
  O     -3.06575058      4.67248710      0.43894458
  H      0.77547951      1.52882814      1.76908327
  H     -0.72728268      5.54239263     -2.14130068
  O      2.89107252      5.48872590      1.91504156
  H     -2.73884545      3.76656110      0.32380216
  H     -1.36664163      4.99641636     -3.44490670
  O     -0.95838962      6.13408061     -0.47712203
  H     -2.38410970      5.26803944      0.09018346
  H     -0.10816566      8.10344832      1.51993510
  O      2.78843470      3.81079332     -1.44208936
  H      2.90858284      6.13040916      1.18882582
  H     -0.12340314      9.40012934      0.67362463
  O      0.78776699      4.29842063      0.48469669
  H      3.43420684      4.72309348      1.67497625
  H     -3.40507656      1.55319234     -3.24449621
  O     -2.56016804      5.31678737      3.08996224
  H     -0.31942032      5.49789120     -0.11267727
  H     -3.06753624      0.91554363     -4.61503078
  O     -0.62466476      2.33316990     -2.41703938
  H     -0.68265061      7.01100734     -0.18783579
  H      3.86553362      3.40549941      0.06397741
  O     -0.32717073      3.70237448      3.94437115
  H      2.05510571      3.92921356     -0.81808610
  H      3.59091268      2.38087353      1.17363342
  O     -2.06123368      2.15257575     -0.03491719
  H      2.73089127      4.55737637     -2.04682244
  H     -4.29208002      4.65167943     -0.88918090
  O     -0.49106413      7.29830767      2.99639439
  H      1.44808575      4.70458962      1.06228623
  H     -5.64446896      5.02172864     -1.53813605
  O      1.78865557      1.22245594     -1.45756431
  H      0.46542837      3.50097951      0.92171535
  H     -2.99903645      3.54617316     -4.13396207
  O     -0.52088216      5.12723649     -2.99213031
  H     -3.37029211      5.35536804      3.59344857
  H     -3.67703321      4.58504381     -3.22794972
  O      0.08002651      8.46982232      0.63610802
  H     -2.80835537      5.07560029      2.18376121
  H      2.74878346     -0.04743314      1.30488375
  O     -2.82903772      1.62628843     -4.02669298
  H     -0.47722570      3.26820056     -2.60976687
  H      2.16586377      0.87953161      0.21227033
  O      4.06801742      3.19800329      0.98716087
  H     -1.27804831      2.01568540     -3.05342884
  H      1.14914332      5.78310306     -3.02110403
  O     -4.84594346      4.51797868     -1.67540677
  H     -1.11820764      4.20552731      3.71534379
  H      2.31858899      6.53094754     -3.69682433
  O     -3.02475730      4.49001240     -3.93251274
  H      0.35482349      4.35814100      4.13376556
  H      2.17352176      6.00260691      4.95829853
  O      2.39006107      0.82417469      1.15960612
  H     -1.53273245      2.21763839     -0.84377842
  H      2.11505506      5.71181932      3.43958433
  O      2.04743267      6.12523251     -2.87702001
  H     -1.44454818      1.95346505      0.68290648
  H     -3.60139403      1.69141457     -1.02785103
  O      1.57262221      5.81719175      4.24179981
  H     -1.23841452      6.68962767      3.03225625
  H     -4.63492079      2.59907204     -1.71792771
  O     -4.27316031      1.70406773     -1.72394846
  H      0.22172025      6.87436005      3.49105332
  H      2.37685643      6.90646818     -1.09433159
  O      2.51813455      7.21546839     -0.19247536
  H      2.30052096      2.02968220     -1.60868907
  H      1.73755118      7.73207896      0.04419329
          69
 Energy    -250.50406961387651     
  O     13.93398948     12.26813862    -14.35943467
  H     13.41137561     11.97728562    -13.60219247
  H     19.31473877      6.05012932    -16.27260713
  O     14.86218995      6.60891112    -14.05602503
  H     13.67378637     11.70848513    -15.10253410
  H     18.38565852     10.07516454    -15.08102220
  O     18.18803738      8.33606591    -11.84384548
  H     15.71271346      6.23668651    -13.79237715
  H     17.41855186     11.30485025    -15.09501891
  O     11.25354158      8.48221754    -15.72950015
  H     15.04932937      7.53140970    -14.29433131
  H     16.19812409      9.54082476    -15.02128363
  O     15.28825285      7.90744142     -8.72360025
  H     17.56178192      9.06970979    -11.91500536
  H     14.64569404      9.59907667    -15.08068731
  O     13.33272850      7.23128354    -11.84775542
  H     18.18467817      8.04476332    -10.92400849
  H     11.97121649     11.88675092    -11.48699247
  O     16.30515774     10.33794389    -12.27660126
  H     10.34018512      8.43445051    -15.99777377
  H     13.05813233     10.78991415    -11.49698191
  O     14.62386066      8.44702539    -18.08236593
  H     11.25697412      8.58637527    -14.76055598
  H     17.00001171      5.23917699    -11.62030902
  O     14.19817387      5.49547207     -9.83048748
  H     14.88574866      8.60943964     -9.24984967
  H     17.24607647      5.73853755    -10.18267252
  O     17.36210741      8.31714859    -17.27878236
  H     14.82304312      7.09566332     -8.96312227
  H     11.97433020      8.21557256    -12.60979795
  O     13.36818517      6.69143445    -16.43999590
  H     13.50267708      6.58061595    -11.15602100
  H     11.67295190      9.72406299    -12.76850337
  O     18.74108192      6.56926175    -15.71491833
  H     13.84188244      6.95678138    -12.62450513
  H     19.40871175      8.12051633    -14.73912117
  O     17.66489168     10.50425295    -15.57087138
  H     15.90000543      9.88024612    -13.03129876
  H     19.21135751      8.76336496    -13.35403013
  O     15.38978739      9.21813707    -14.59883137
  H     16.53884685     11.20920793    -12.61580348
  H     17.69933187      6.83855311    -12.78672193
  O     12.47070958     11.31499613    -12.06568720
  H     14.41035817      8.25491462    -18.99196259
  H     17.91492152      6.07879392    -14.11610606
  O     16.73449394      5.10507198    -10.70118808
  H     14.20744301      7.75042998    -17.54261084
  H     18.41106448      7.32920136     -8.45683024
  O     11.41623780      8.84915623    -13.08137480
  H     15.08470876      5.27706684    -10.17145358
  H     16.98398482      7.58005036     -9.00166234
  O     19.50145442      8.95102254    -14.25657571
  H     13.85310611      4.70232127     -9.43005516
  H     13.89921294      8.79290821    -11.11098716
  O     17.46333611      6.02907770    -13.26420747
  H     17.53429069      9.18180156    -16.88121956
  H     14.98016096      9.91821790    -11.15613744
  O     17.88560776      7.31023679     -9.25199899
  H     16.44656815      8.33878152    -17.58000409
  H     16.80950866     13.53558641    -13.89977965
  O     14.17348995      9.62913391    -10.70358451
  H     13.85331591      6.48621629    -15.62954307
  H     15.64644725     12.53770937    -14.11345919
  O     16.60132682     12.60595710    -13.93037557
  H     12.57785476      7.17634555    -16.17040373
  H     12.58112148      9.72759374    -16.10632177
  O     13.38271139     10.24416590    -16.26619575
  H     18.21200692      7.13066972    -16.30899676
  H     13.83999754      9.80568131    -16.99590890
          69
 Energy    -250.50332819538232     
  O     13.17387535     12.54075475     -8.04813743
  H     13.12297162     12.41785069     -7.10404838
  H      9.92365123     12.63158452    -13.25230325
  O     11.22415205     10.39561240    -14.71960804
  H     13.66085165     11.77542974     -8.40519489
  H     16.72356412     13.39890900    -17.62584019
  O     14.45075521     10.49135866     -9.30892586
  H     11.44495992     10.45778877    -15.65739121
  H     15.80140861     13.22294269    -16.39384130
  O     18.00055934     13.21087101    -12.69576202
  H     11.03424601     11.29694193    -14.41772007
  H     13.16970879     13.37264903    -12.44079575
  O     11.40930452     12.30528304    -10.22068969
  H     15.11009026     10.90460844     -9.88327293
  H     12.96125108     14.79785901    -11.87209208
  O     12.25476744      9.75872802    -11.00966214
  H     13.80296302     10.06119235     -9.87991654
  H     12.09521352     12.70230965    -16.66345280
  O     13.55348018      9.61676493    -13.43478256
  H     18.93941439     13.35530547    -12.61112518
  H     11.47748737     13.46962274    -15.48058256
  O     14.23625964     16.05125411    -11.36693053
  H     17.87883716     12.57953296    -13.42733568
  H     15.02363771     12.19414903    -12.27304109
  O     10.00475444      9.06117720    -12.61165228
  H     11.87639276     12.44207800     -9.38764669
  H     14.11279711     11.33066139    -13.19487006
  O     14.68234368     13.85333042    -15.22194888
  H     11.76337355     12.95621222    -10.84412760
  H     17.05394650     10.67683684    -14.67719450
  O     14.78811066     10.44173861    -17.08878704
  H     11.98322091     10.65009266    -10.74287778
  H     17.30629839     11.91062236    -15.56379438
  O     10.59436122     12.96618958    -13.86505308
  H     11.47092189      9.35719610    -11.40431977
  H     11.85201815     10.64535594    -18.19167729
  O     16.41344233     12.75778019    -16.99244074
  H     13.22600415      9.57508669    -12.52534486
  H     13.08636181     10.69077933    -17.25910300
  O     12.49439547     13.99491248    -12.12916686
  H     12.78761108      9.83705503    -13.98356883
  H     16.20069043      8.26846787    -14.65687623
  O     12.12862638     13.54209158    -16.19053405
  H     14.19213646     17.00254941    -11.32606996
  H     15.07850704      9.25042464    -14.25251307
  O     14.39921226     12.23180462    -13.01084737
  H     14.92414764     15.82959529    -12.02081017
  H     15.85499215     12.88412181    -10.32650284
  O     17.57382174     11.48668045    -14.73871145
  H     10.36712250      9.44510734    -13.42744787
  H     16.90041261     12.44574015    -11.39279009
  O     12.12933572     10.86596724    -17.30664837
  H      9.47512093      8.31201591    -12.87295412
  H      9.78503183     11.95384335    -11.15164375
  O     15.88854415      9.16145892    -14.78187018
  H     14.65426914     13.24085787    -14.47121413
  H      9.25971152     10.79277831    -12.01161439
  O     16.14076170     12.14032346    -10.88286936
  H     13.78967983     13.86984042    -15.59646060
  H     15.60297113     14.95149158    -14.00549774
  O      9.14949503     11.73608453    -11.84775587
  H     15.17588176      9.91634405    -16.37926827
  H     16.75282004     14.64928554    -13.02072504
  O     16.06024941     15.28923091    -13.22375541
  H     15.35453432     11.21841502    -17.18046779
  H     14.38390009     13.80012274     -8.89247636
  O     15.11582869     14.18023791     -9.39299934
  H     11.23004378     13.44665728    -13.31584922
  H     14.75278357     14.87451295     -9.95609840
          69
 Energy    -250.50330999432853     
  O     18.42244125     10.56239671    -13.55909967
  H     18.36699150     10.30669307    -12.62895537
  H     11.51075345      9.04107262     -8.77789577
  O     14.51586665      6.54418325    -11.64350899
  H     17.79954463     11.28991190    -13.67258807
  H     15.75744802     12.23227230    -10.48774808
  O     12.29670185      9.74490679    -13.75424061
  H     13.59064914      6.79690471    -11.75327337
  H     14.44001748     12.13147315    -11.27628213
  O     13.08782702     10.88345229    -11.34409846
  H     14.83407869      6.22341261    -12.49881826
  H     14.63522867      9.74765872    -11.58548874
  O     18.61671870      6.97179235    -10.60526572
  H     11.81462142      9.27188093    -14.44878900
  H     15.09396454      8.26920307    -11.79307407
  O     13.37759047      6.98650861    -16.90692156
  H     13.16993737      9.95244497    -14.11433315
  H     18.50071168      9.18345607    -14.61239798
  O     15.42376274      5.80538958    -14.14111244
  H     12.64968447     10.36806742    -10.65659646
  H     19.31185101      8.43880285    -15.69809301
  O     14.95007138     10.23030629    -14.44932185
  H     12.67764151     10.63937187    -12.18597820
  H     10.13243995      5.41284470    -13.44936555
  O     13.09396305      4.63506919    -15.20312479
  H     19.38468369      6.47237884    -10.34181070
  H     11.28417928      6.36235139    -13.05801767
  O     14.63319556      9.11678373     -8.61912479
  H     18.41551819      6.71177759    -11.52264550
  H     18.27823004      7.03107673    -13.84646739
  O     16.03654845      6.84563332     -9.32334032
  H     13.33913718      6.12643122    -16.47325245
  H     17.18669401      6.01168316    -13.47170026
  O     12.11205676      8.96332070     -9.51336370
  H     14.24721152      7.34950075    -16.69557434
  H     12.09717698      8.34444570    -12.60070085
  O     15.30257726     12.56972246    -11.26814287
  H     14.70255999      5.27862255    -14.50487240
  H     11.90622527      7.99651001    -11.09587382
  O     15.33464926      9.19104530    -11.95036356
  H     15.52423472      6.57501776    -14.72086183
  H     10.92232389      7.26391876    -15.08707609
  O     18.52922179      8.37629302    -15.15695972
  H     15.17472085      9.79768915    -13.60921771
  H     11.90976792      7.77353775    -16.14789052
  O     10.98060148      5.73981723    -13.73994751
  H     15.37009228     11.09693640    -14.41060670
  H     17.15100473     10.67582275     -9.69584143
  O     18.02818647      6.38122948    -13.17795608
  H     12.34557333      4.97233566    -14.68607376
  H     17.17155692     11.55349091     -8.42360659
  O     11.95396351      7.61300483    -11.98097932
  H     12.85305520      3.75987964    -15.49784668
  H     15.45092772      8.82027402    -15.44402716
  O     11.17734110      8.05148511    -15.57640039
  H     15.23631483      9.86164857     -8.70466958
  H     16.76878343      8.08543241    -15.74913502
  O     16.59589914     11.21053184     -9.10280249
  H     15.15785193      8.31700633     -8.77828891
  H     16.01520995     12.60553754    -12.85853052
  O     15.80968254      8.00133584    -15.81619036
  H     15.48508399      6.57673009    -10.07180810
  H     16.43230323     13.45177312    -14.08334187
  O     16.37723383     12.55609906    -13.76166852
  H     16.94084701      6.84026875     -9.65599781
  H     16.96917358      9.47102747    -11.33267980
  O     17.85140335      9.63547617    -10.95954584
  H     13.01387519      8.97892130     -9.14031337
  H     18.23023799      8.76898550    -10.76614354
          69
 Energy    -250.50139445433311     
  O     11.32908589      9.38864034    -14.51925075
  H     11.93860331      9.53670253    -15.25634260
  H     14.95024389     10.57636721    -13.78232207
  O     16.58106234      6.73170379    -14.49643718
  H     11.55910040     10.03862734    -13.84653067
  H     14.26054027      8.96514835    -14.92057494
  O     16.10342983      8.90394173    -10.60486132
  H     15.94891073      6.05084270    -14.22742456
  H     15.42962971      8.12771175    -14.31519846
  O     14.04764188      7.34967771    -17.85313419
  H     17.12742974      6.93787705    -13.72738363
  H     10.08417229      6.51559261    -14.28923395
  O     14.03142231      4.97145952     -9.85741095
  H     15.17848890      8.85993022    -10.88054227
  H     11.08659905      7.69153904    -14.23723472
  O     14.64578840      4.95908197    -13.62994417
  H     16.43172549      9.76907341    -10.89124547
  H     18.98332977      4.96142734    -10.04045485
  O     13.54345741      8.79252660    -11.70218452
  H     13.81476014      6.95183038    -18.68761487
  H     17.63897382      5.72828819     -9.97132212
  O     17.37891831     10.31861692    -16.08933902
  H     13.71993063      6.75180994    -17.15649288
  H     12.34516167      6.10521565    -15.32823344
  O     16.03703962      3.79174325    -11.57388429
  H     13.42879776      4.52068554     -9.27041938
  H     13.69227576      5.37481606    -15.19799339
  O     16.77599023      7.81166613    -17.04837025
  H     13.48960733      5.36323950    -10.56128910
  H     16.26100154     11.50674365    -12.44221760
  O     18.79292474      9.81519709    -13.61176798
  H     15.17417167      4.41451853    -13.02834661
  H     17.65958921     10.87061686    -12.46367938
  O     14.82604631     11.53646483    -13.71080266
  H     13.99573118      5.41022109    -13.07599115
  H     17.28301697      8.00918188    -11.67986536
  O     14.76641731      8.79832449    -14.11520510
  H     13.96478217      8.70690349    -12.57530676
  H     18.21795293      6.77544975    -11.73541878
  O     10.99759401      6.72899124    -14.11679204
  H     13.01678599      9.59763178    -11.74833377
  H     15.50429524      6.06562131     -9.29196940
  O     18.28364746      5.32048694    -10.57933071
  H     17.86483805     10.16590441    -15.27281645
  H     16.24403512      7.41418031     -9.49022423
  O     13.11289976      5.81386714    -15.83385110
  H     17.23075610      9.44920876    -16.49303724
  H     16.02370897     11.29656313    -16.37140838
  O     16.97220040     11.19530800    -11.86871399
  H     15.39220652      4.06683001    -10.90975641
  H     15.38037164     12.48638272    -17.12712033
  O     17.94999194      7.56377525    -12.22332392
  H     16.86797278      4.20899645    -11.31809968
  H     12.97231931      7.11674766    -11.75637248
  O     16.33944995      6.52135617     -9.13051355
  H     16.80950330      7.31807336    -16.21607511
  H     12.02594191      6.26692927    -12.62749964
  O     15.19661841     11.80306982    -16.48933800
  H     15.90519050      7.63375298    -17.42023239
  H     12.00927736     12.01881432    -12.12311274
  O     12.71030487      6.20364287    -11.94972153
  H     18.58850063      8.98343697    -13.15502612
  H     13.20256768     11.45628993    -12.92828267
  O     12.35041023     11.22289710    -12.52268908
  H     19.74490792      9.88903018    -13.62382254
  H     13.95256497     10.38828895    -16.56585251
  O     13.37239031      9.63322456    -16.40519538
  H     14.92747751     11.86654593    -14.61144707
  H     13.59657779      8.93293769    -17.03274558
          69
 Energy    -250.49926975517107     
  O     12.06418536     10.98470938    -13.16107156
  H     12.20314148     10.64352796    -14.05627085
  H     20.64150101      6.95149992    -14.61268059
  O     15.26048988      6.21882944    -14.41224692
  H     12.78333501     11.60582747    -13.00154504
  H     15.06146920     12.01924298    -16.10763569
  O     17.45223149      8.52184117    -11.22883218
  H     14.64342968      6.02529783    -13.69356475
  H     16.29876811     11.79041399    -15.23191673
  O     17.39408516     10.29369138    -15.05434694
  H     16.14464325      6.17727501    -14.02403398
  H     14.24661678      9.26756906    -14.79594868
  O     11.58762353      7.36316443    -16.12659593
  H     16.77691675      9.17858343    -11.45601341
  H     15.10397764      8.01606650    -14.42698134
  O     13.72998902      5.83995082    -12.11595812
  H     17.11673495      8.06252388    -10.45042898
  H     11.50519660      9.74078775    -12.11583835
  O     15.31134939     10.12273051    -11.91747848
  H     17.78848677      9.82471811    -15.79876388
  H     10.39210786      9.23721666    -11.16483551
  O     15.76132919      8.77443062    -17.87636633
  H     16.57784080      9.81493399    -14.84113879
  H     12.18118284      6.32764531    -13.04496546
  O     16.10668036      4.90120613    -11.05488781
  H     10.79060699      7.03267954    -16.53202680
  H     11.30506668      7.57680227    -12.85428447
  O     18.50210162      8.47971181    -16.94094441
  H     11.53343922      7.13888492    -15.17976859
  H     18.65576608      9.90323553    -13.73668166
  O     14.24206628      6.66324876    -16.97688739
  H     13.72783745      6.67426751    -11.62805459
  H     18.80481671      9.21159511    -12.36316822
  O     19.76006649      7.29996162    -14.71904548
  H     14.45963192      5.32298209    -11.74511570
  H     17.58561814      7.10973131    -12.44100489
  O     15.51106747     12.34471221    -15.31914786
  H     15.18896286      9.68201223    -12.77489612
  H     18.39274729      6.51157555    -13.61689902
  O     15.05142635      8.97677055    -14.34986993
  H     15.07215113     11.04457482    -12.06128877
  H     15.82427375      7.17350434     -8.30888435
  O     11.22330505      8.99016406    -11.56087698
  H     16.66539460      8.58133179    -17.61275795
  H     15.08755728      7.52275348     -9.62076961
  O     11.49719833      6.86057302    -13.47092118
  H     15.23027769      8.00248036    -17.62493860
  H     14.14991102     11.38962040    -18.44466163
  O     19.29115600      9.45220349    -13.16194270
  H     16.13333514      5.55422828    -10.34445401
  H     14.87306388     10.23441997    -17.71197659
  O     17.65886227      6.33607023    -13.01840276
  H     16.74386391      5.20532661    -11.71369783
  H     12.82615572      8.47335042    -10.78096083
  O     15.91354079      7.16069244     -9.25864995
  H     19.16975496      8.59242228    -17.61466107
  H     14.27238460      8.95694266    -11.02104654
  O     14.31706153     11.02498440    -17.58006820
  H     18.91825243      7.97187529    -16.22783372
  H     14.78040546     12.56166399    -13.74940194
  O     13.74997464      8.25520515    -10.60466335
  H     14.63635611      6.35636747    -16.14874426
  H     14.46916249     13.52767006    -12.58450932
  O     14.40307420     12.61533831    -12.85283562
  H     13.31361266      6.82583344    -16.77505050
  H     13.14168560     10.28010078    -16.37714125
  O     12.71167081      9.86711200    -15.61721617
  H     19.69356739      8.08513120    -14.14338664
  H     12.28169725      9.05240728    -15.90842785
          69
 Energy    -250.49905596398133     
  O     12.04563823      8.64801879    -14.56325366
  H     12.00142860      8.83014740    -13.61552801
  H     16.09151645      4.31889469    -12.45300377
  O     16.53694131      5.86256948    -11.75930407
  H     12.63398043      9.30459036    -14.95139178
  H     18.24491850      5.48926835    -15.20743901
  O     18.16065869      9.80232331    -13.30962148
  H     17.37713959      6.29670144    -11.96201910
  H     19.77199680      5.44436131    -15.44129903
  O     15.75644586      8.14926478    -16.25822679
  H     16.10930393      6.35293128    -11.04319007
  H     14.01743559     10.92190809    -16.54277341
  O     13.08334395      4.47857121    -12.56447154
  H     18.48854543     10.30919549    -12.55630454
  H     14.65993733      9.58400666    -16.10736948
  O     16.65729462     10.74528367     -9.37697057
  H     17.20320301      9.94043891    -13.33714782
  H     15.60193794      6.75137790    -13.07081277
  O     15.29844512      7.41208996     -9.85642903
  H     15.59294293      7.80230559    -15.36687159
  H     14.30357083      6.84429956    -13.92881945
  O     15.39347546      9.99072167    -13.35255119
  H     16.69751820      8.37518464    -16.28757752
  H     10.99869032      9.10297496    -11.35663187
  O     14.65007704      5.77586249    -17.05699412
  H     12.87201615      4.92384465    -13.39779740
  H     12.12163112      8.04137132    -11.39463497
  O     17.38082726      8.23624081     -8.17707758
  H     13.93122486      4.04585080    -12.70933049
  H     19.37138763      9.25571322    -10.29988638
  O     16.74953787      4.61998009    -15.41465086
  H     16.83939306      9.97042533     -8.83086158
  H     19.30826385      7.81457019    -10.83761867
  O     15.79097518      3.54794021    -12.96635748
  H     15.79678693     10.58731149     -9.78656668
  H     12.82007814      5.77610457    -11.33895265
  O     19.07553950      5.97736623    -15.06656534
  H     14.99261542      8.26591650    -10.19365829
  H     13.57340587      6.67929939    -10.32582603
  O     14.07878088     10.30699972    -15.81637683
  H     15.95545882      7.60586330     -9.17642045
  H     18.73153435      7.75790001    -15.68614815
  O     15.12368204      7.30053351    -13.70146695
  H     15.25405940      9.02919343    -13.38311381
  H     18.45206805      9.15101316    -15.08232042
  O     11.87001495      8.93156854    -11.70516510
  H     14.94971276     10.34408954    -14.13161810
  H     18.56476595      8.09883782    -12.81776141
  O     19.37050952      8.33045558    -10.02362013
  H     15.05482650      6.65232060    -16.94115349
  H     19.01639769      6.72243060    -13.36599763
  O     12.73060736      6.56007033    -10.77758868
  H     14.54681620      5.63997217    -17.99555434
  H     19.34551541     11.83412325    -10.66355402
  O     18.41034809      8.64250244    -15.90309016
  H     18.13117254      8.19814264     -8.79729005
  H     18.07286330     11.00525306    -10.36739411
  O     18.80967375      7.19973182    -12.55281092
  H     17.72039117      8.00651837     -7.31664956
  H     12.45972978      6.93606799    -14.84610992
  O     18.89385088     11.02609618    -10.89158122
  H     16.36744888      4.17958073    -14.64476436
  H     13.31917692      5.91404938    -15.67499880
  O     12.87113764      6.05734449    -14.83402388
  H     16.01391596      4.89634371    -15.97128508
  H     13.45141036      9.68676066    -10.99981301
  O     14.37262947      9.90361818    -10.81069438
  H     16.09787704      2.77243908    -12.50289524
  H     14.77694303     10.06503431    -11.67603335
          69
 Energy    -250.49826888122797     
  O     13.05008519      3.74050923    -15.23515266
  H     13.71544448      3.30830332    -15.80226203
  H     19.33160028      6.50681002    -16.25008948
  O     18.68804378      5.80391556    -12.52462620
  H     12.24583023      3.23508545    -15.31733414
  H     15.58054691      5.71569148    -15.90912106
  O     18.79626166      4.25049900    -18.30228260
  H     18.12072467      5.02134732    -12.57767337
  H     16.67625468      4.67292288    -15.47960559
  O     16.06782000      4.01654653    -19.10260587
  H     18.17390598      6.54023855    -12.88716122
  H     13.83265045      8.02282904    -13.86738815
  O     15.22785329      6.91448959     -9.64767894
  H     18.81698547      5.16366488    -17.98651334
  H     14.42396920      8.88143183    -15.00605133
  O     14.31362681      4.44200414    -12.79144563
  H     17.89388744      4.09462329    -18.60634880
  H     15.96464011      3.41377395     -9.74208134
  O     16.96307158      7.58755179    -13.76091614
  H     15.82161456      3.75011493    -19.98519058
  H     16.95082874      2.39128522     -9.12433505
  O     17.22539552      2.92702231    -15.15807618
  H     15.80494711      4.94942495    -19.01204604
  H     13.41469649      5.39983923    -16.03130156
  O     14.40240229      4.18291438     -9.97477981
  H     16.15184473      6.60944412     -9.69850763
  H     13.67885442      6.93399693    -15.84490057
  O     15.00384866      2.71233301    -16.78104422
  H     15.16988918      7.49230795     -8.89166407
  H     19.85308181      5.69520354    -14.05715566
  O     19.84876400      3.05227540    -16.11459741
  H     14.33160318      5.40847666    -12.73624608
  H     20.22387774      4.74717329    -15.21963348
  O     18.63484233      6.69755646    -16.89456108
  H     13.83763758      4.19632394    -13.59256883
  H     17.02182275      3.27856120    -11.60392279
  O     16.48494831      5.61228101    -15.58822210
  H     16.82217411      8.39668142    -14.26452665
  H     16.02585723      3.87917189    -12.63063163
  O     13.66256147      8.34089835    -14.76461123
  H     16.80561157      6.85546524    -14.38007681
  H     18.19938696      5.93933998    -10.68224337
  O     16.89233883      3.11512013     -9.74132992
  H     17.20071230      3.00979024    -14.19430118
  H     17.59291005      4.91797045     -9.70059756
  O     13.86314310      6.16590093    -16.40675242
  H     18.15059324      2.88277133    -15.42968221
  H     15.86163708      7.35302666    -18.51200383
  O     20.25421454      5.66860434    -14.93496804
  H     14.53650263      5.11481647     -9.76015660
  H     14.68067918      6.50647427    -17.98639211
  O     16.93973856      3.57665158    -12.51728072
  H     14.20263707      4.16044190    -10.92054073
  H     15.47364555      7.34866613    -12.77571777
  O     17.72575655      5.86329404     -9.84407334
  H     15.78809130      2.60977378    -16.22263142
  H     14.73967661      7.19148016    -11.41690245
  O     15.30515280      6.59725107    -18.72222766
  H     15.31419124      3.11377456    -17.60120807
  H     16.27247693     10.62427420    -15.46141811
  O     14.60882922      7.17824472    -12.37294291
  H     19.52593595      3.41744704    -16.95891182
  H     16.46694909      9.38862874    -16.36498570
  O     16.14620618      9.67868272    -15.49672354
  H     20.52545936      2.41621117    -16.32968142
  H     17.79528402      8.04386147    -17.58483462
  O     17.16989907      8.71792959    -17.90796247
  H     17.83286065      6.29653081    -16.52302703
  H     17.58949440      9.15009019    -18.64784260
          69
 Energy    -250.49815641053880     
  O      1.67953742      2.58000191      2.18950194
  H      0.80018402      2.97665390      2.21629646
  H     -0.77469417     -2.38393472     -0.46787427
  O     -2.88825690     -0.79129941      2.06036459
  H      1.70937024      1.95939735      2.92668022
  H     -0.07824617     -0.36837930     -0.62250506
  O     -1.54968733      2.53387351     -0.38043944
  H     -3.67430298     -0.72579498      2.61671540
  H      0.96330570      0.77247674     -0.30164030
  O     -3.52975633      1.73030071      4.97733357
  H     -3.09148703     -0.32085815      1.23940202
  H      0.39953080      0.62079759      4.09851522
  O     -1.16538355      0.86824257     -3.73792441
  H     -0.95707896      1.76948008     -0.28122157
  H      1.53060458      0.51837026      5.15176417
  O      3.42281786     -1.11085235      0.23314668
  H     -1.30311805      2.98150307     -1.19824544
  H      1.87651944      1.83278243     -3.23974759
  O     -0.65883646      3.53658860     -2.81938395
  H     -2.66769490      1.40583701      4.68272678
  H      2.23479435      2.36671598     -1.83467439
  O     -5.13733641      1.96974359      1.71034498
  H     -3.65558453      2.56395399      4.50675696
  H      1.39577840     -0.65637488      2.79234452
  O     -1.13997332      3.28740133      2.22482953
  H     -1.10654736      1.79822914     -3.49016476
  H      0.77230388     -0.53459174      1.37667907
  O      1.57437194      0.21369929     -4.15504415
  H     -0.26242331      0.59114041     -3.93837809
  H     -3.44117930     -1.22651331     -3.18394711
  O     -3.56671239      0.66677287     -0.23590689
  H      4.18294220     -1.58891121      0.55474646
  H     -2.28908907     -0.20788908     -3.00115709
  O     -0.57330447     -2.00213988     -1.33640816
  H      2.72029626     -1.22133432      0.89587052
  H     -1.18606730      1.69952134      3.07858417
  O      0.09609197      0.40833907     -0.07526478
  H      0.28372930      3.29182501     -2.76237430
  H     -1.73578676      0.24166719      3.03596210
  O      1.36265530      0.52399899      4.21358127
  H     -0.70127896      4.36898298     -3.28113842
  H      2.38323096      1.99316484      0.63652827
  O      1.86752234      2.62706674     -2.69040131
  H     -4.72375204      1.55383761      0.94254124
  H      3.09333655      0.77266545     -0.04684885
  O      1.28150539     -1.12296513      1.95548183
  H     -5.29396328      1.25492385      2.33957448
  H      1.13932639     -1.91513673     -1.95519029
  O     -2.86907957     -0.83432950     -2.52954005
  H     -1.29167852      3.11665186      1.28277410
  H      2.54698969     -1.51560156     -1.43941256
  O     -1.23694582      0.86943853      3.57566471
  H     -1.97121975      3.63667221      2.56983476
  H     -5.73242006     -0.53146195      4.26100095
  O      2.61751967      1.59371167     -0.21650370
  H      1.78000845     -0.46330480     -3.48577652
  H     -4.59721012      0.52122518      4.25815278
  O      2.01989920     -1.62712618     -2.23774520
  H      1.99892889     -0.06232998     -4.96279411
  H     -0.17667457     -2.38047020      1.66040255
  O     -5.09340796     -0.10265521      3.69870454
  H     -2.93291165      1.39549726     -0.31365232
  H     -1.70050040     -2.15630531      1.60136192
  O     -0.99090439     -2.72693931      1.27506113
  H     -3.44877708      0.11956712     -1.02116676
  H     -4.27573298      4.68897151      3.11946702
  O     -3.76968541      3.88126688      3.09276934
  H     -1.40458230     -1.74379392     -1.75037038
  H     -4.27404457      3.25365430      2.54412498
          69
 Energy    -250.49803954447532     
  O     11.57189146     11.42084714    -15.92400666
  H     11.89921818     10.81358203    -15.23922540
  H     14.52939294      8.03594176    -19.13632850
  O     13.58718583      9.31718508    -20.07897046
  H     10.80475295     11.85639668    -15.56185292
  H     15.06745552      8.37660034    -12.74371834
  O     11.22599483      7.13296661    -16.97147196
  H     13.15683851      9.24701387    -20.92664159
  H     15.53734343      9.84266148    -12.63881705
  O     13.68120380      7.65559985    -10.37021565
  H     12.88264953      9.44746341    -19.41638462
  H     16.71820156      7.65261202    -14.43299297
  O     14.25907497     11.76070075    -16.74721643
  H     11.09975934      7.10432232    -16.01487033
  H     17.25478916      9.10554789    -14.44868136
  O     17.83410525     10.97224200    -18.27525135
  H     11.89879258      6.47216965    -17.17169580
  H     15.85854095      5.30373647    -10.01927619
  O     15.36040573     11.39458339    -19.29013147
  H     12.81599173      7.38028336    -10.69764637
  H     14.77501564      6.29031638    -10.52273732
  O     17.08063868     10.66960099    -13.37778890
  H     13.99552394      8.35566564    -10.95773776
  H     14.02810567      6.06364335    -17.84394054
  O     13.05247151      4.40832300    -12.09299590
  H     13.33595657     11.89191892    -16.50768662
  H     13.50086544      4.62261096    -18.03351028
  O     11.71458048      9.56918459    -18.17018958
  H     14.43080640     10.81464260    -16.61452683
  H     15.69938562      6.24706854    -12.47471206
  O     14.63221309      9.04779740    -16.19188264
  H     18.50199143     11.38326334    -18.81786430
  H     14.94456000      6.29176683    -13.83328146
  O     14.90392977      7.43393417    -18.48093194
  H     16.97953179     11.13438490    -18.71472425
  H     11.86743267      5.61986378    -11.62422047
  O     14.80867186      9.25103698    -12.41510768
  H     14.79775992     10.71034486    -19.67127161
  H     10.58564954      6.09128992    -10.89619588
  O     17.09671625      8.33448042    -15.00671130
  H     14.90502766     11.68647420    -18.48800165
  H     12.78178339      6.10514886    -14.49693973
  O     15.33369496      5.53436389    -10.78050404
  H     17.77609257     11.07732952    -12.86844273
  H     13.59140928      5.37000782    -15.59551654
  O     13.47678217      5.37021752    -17.44181053
  H     16.99899386     11.18674263    -14.19997760
  H     17.65388643      9.10742128    -18.01898670
  O     15.64587685      6.71494341    -13.31652824
  H     13.86741635      4.60764827    -11.61525025
  H     17.48766584      8.13112838    -16.84466456
  O     11.31203101      6.39741222    -11.43325676
  H     13.24061598      4.58484860    -13.02489851
  H     13.35828380      9.60250566    -13.50309982
  O     13.54286044      5.52509299    -14.64492754
  H     11.59139003     10.23719549    -17.48957983
  H     13.35270959      9.31742037    -15.01205533
  O     17.44726384      8.18803892    -17.80871960
  H     11.47670547      8.71865203    -17.77011968
  H     11.20547552      6.97676104    -13.21232108
  O     12.77609353      9.57161728    -14.27264783
  H     15.49338700      8.86865587    -15.79336456
  H     11.78688170      8.07810793    -14.14148192
  O     11.37238120      7.20258321    -14.13518577
  H     14.57943889      8.50522596    -16.98682514
  H     15.94202731     12.06590662    -16.01910434
  O     16.85903296     11.92233748    -15.74868460
  H     15.84217541      7.64718230    -18.35510277
  H     17.31566477     11.61398512    -16.54075841
          69
 Energy    -250.49733475534867     
  O     -1.66103149      3.51065870      5.48981978
  H     -0.70973159      3.30515869      5.55288372
  H     -3.57957597     -2.90342759      2.09110368
  O     -1.29535108      3.41497210      2.65774876
  H     -1.83753721      4.20133374      6.12243323
  H     -1.53942165      0.07134254      1.96508678
  O      0.74824734     -3.36327753      0.53762126
  H     -1.50973814      3.61455986      3.57654119
  H     -0.85321067     -1.33333500      2.07170418
  O      2.06807043      0.55718843     -0.83272067
  H     -0.35998830      3.16294839      2.64588912
  H     -5.27350336      0.65777547      0.42521096
  O     -0.55925219     -0.32825259     -1.08367647
  H      0.33107132     -3.34777476      1.40960346
  H     -3.91806543      0.68222067      1.16788198
  O     -2.88491273      1.16536566      2.52362096
  H      1.50500997     -2.76710446      0.58339213
  H     -2.16578721      1.67208407      5.39523433
  O     -2.40982186      1.76004179     -1.25043520
  H      1.17021003      0.28879539     -1.07426279
  H     -1.24507813      0.45772010      5.15468959
  O      1.77227617      3.31476902     -0.11046062
  H      2.02069404      1.49472278     -0.61367268
  H     -0.43468552     -2.94710710      3.82014783
  O      2.93979747     -1.48287601      0.69832458
  H     -0.80723366     -1.21870443     -1.35657158
  H     -1.67117908     -3.20536832      2.92665866
  O     -2.88000138     -1.97274260      5.50199267
  H     -0.61966564     -0.33220395     -0.11549514
  H     -1.27885918     -3.70983566     -1.88931465
  O     -3.51328800     -2.33741843      0.47668965
  H     -2.39327482      1.99377877      2.42209682
  H     -0.54458836     -3.20411928     -0.62448769
  O     -3.52108897     -3.24161616      3.00319766
  H     -2.79183236      0.92111031      3.45388091
  H      0.90465664      1.76968201      5.53896109
  O     -0.78341205     -0.45372929      1.67713107
  H     -1.75162566      1.05720016     -1.34396988
  H      1.25510964      2.87515155      4.52398437
  O     -4.36472447      0.37352800      0.36100741
  H     -3.16200283      1.34316394     -0.81738892
  H      0.80196333     -0.11263020      2.32630018
  O     -2.17319589      0.73541987      5.16292136
  H      0.81791851      3.49616901     -0.19747809
  H      2.27312355     -0.54381634      2.17762344
  O     -0.73008386     -2.98578596      2.90285028
  H      2.22612294      4.01900490     -0.56552611
  H     -1.23829668     -2.51795447      5.73317309
  O     -1.29783863     -3.03270506     -1.21853163
  H      3.83396695     -1.71913117      0.46720561
  H     -0.12514022     -3.37769777      6.38564878
  O      0.92878976      2.72878396      5.42192973
  H      2.68207354     -0.74935645      0.10903121
  H      1.00710573     -0.11482960      4.40628136
  O      1.67865072     -0.03141308      2.73656083
  H     -3.22425216     -2.29890202      4.66126490
  H      0.37904745     -0.99080718      5.51992766
  O     -0.28855970     -2.73611699      5.69995846
  H     -2.82305123     -1.00996102      5.43440163
  H      1.61947812      1.78358493      2.65362946
  O      0.52257135     -0.07775296      5.24428218
  H     -2.80588731     -2.54507680     -0.14494623
  H      1.66801688      3.02080705      1.73150662
  O      1.43805288      2.73372211      2.62405786
  H     -3.79284315     -1.42919091      0.30832933
  H     -1.45842643      3.13460131     -0.57982093
  O     -0.87967238      3.77233341     -0.13597537
  H     -4.08426423     -4.01058155      3.04197296
  H     -1.17113139      3.81421607      0.78203611
          69
 Energy    -250.49717638033491     
  O     15.89794655     14.95020465    -15.18998147
  H     15.43823746     15.46121477    -15.85166130
  H     15.37922376      9.64587076    -16.35203964
  O     21.02143393     10.36404920    -15.98701583
  H     16.63210997     14.49656170    -15.64441354
  H     19.28281223     11.27827936     -9.92530208
  O     19.77818296     13.09891314    -10.00740417
  H     21.15988520     11.10410579    -15.37158843
  H     19.88519037      9.97968226    -10.49686862
  O     15.38102589     11.95586723    -11.84266010
  H     21.77903902     10.34399789    -16.56695477
  H     20.52983602     17.05238303    -12.30646564
  O     21.49471053      9.42526827    -11.35698526
  H     19.00356113     13.29799377    -10.55602577
  H     19.02741082     16.75100141    -12.18463135
  O     16.68221283      9.51946980    -11.07548920
  H     20.10616778     13.94831415     -9.68964745
  H     21.20401320     12.51107052    -10.97907950
  O     18.46079443     11.13084449    -17.08261621
  H     16.05691879     12.61424395    -11.63361235
  H     21.95964408     11.23257601    -11.41038693
  O     20.21547696     14.88893651    -14.84546738
  H     15.73127263     11.11621176    -11.52288064
  H     17.00485700      9.38988604    -14.39009514
  O     20.77819163     15.69369245     -9.53999319
  H     21.12443524      9.16108028    -12.21837421
  H     17.19765593      9.28161698    -12.82948354
  O     21.08895749     12.35897159    -14.10154398
  H     22.00522727      8.68533423    -11.03925330
  H     18.25074555     12.83085070    -16.63444657
  O     15.13397520     12.22471619    -14.58012214
  H     17.52826955      9.82445092    -10.69981204
  H     18.87521549     14.08600141    -15.91006477
  O     16.07881713     10.04850533    -15.84487514
  H     16.30549305      8.91230494    -10.44416494
  H     22.71313307     17.15018987    -13.70906937
  O     19.07586468     10.35863797    -10.13393683
  H     17.71320488     10.64054688    -16.71907429
  H     22.33211519     15.95854679    -12.79831240
  O     19.79470034     17.05121101    -11.68067896
  H     19.26775864     10.73779738    -16.72936326
  H     18.69444572     15.46943564    -13.89003305
  O     21.96703187     12.19482914    -11.48675638
  H     20.59986599     14.03465178    -14.60091154
  H     17.15495208     15.64785077    -13.92927432
  O     17.65344121      9.28394023    -13.68203216
  H     20.83190667     15.55392492    -14.51445986
  H     22.67395259     13.94626572    -11.50076593
  O     18.05018214     13.64642253    -16.15180197
  H     20.35663652     16.20741361    -10.25237569
  H     22.20705231     15.18522648    -10.71745024
  O     21.99058225     16.57570153    -13.47084757
  H     20.81830670     16.26395259     -8.77705720
  H     20.65652672      9.17114659    -14.54623928
  O     17.93610056     15.79243682    -13.38189641
  H     20.14975314     12.17213159    -13.93587333
  H     19.41631160      8.81155416    -13.70714981
  O     22.75046692     14.90815506    -11.46630618
  H     21.52183155     12.32766172    -13.23924934
  H     18.15033991     11.04454361    -13.76292076
  O     20.38168451      8.74908151    -13.72432205
  H     15.13919647     12.11753397    -13.61659249
  H     18.07487661     12.38521403    -14.57510303
  O     18.42904415     11.96843227    -13.78109606
  H     15.24688707     13.16494412    -14.74897792
  H     17.92879879     12.94165455    -12.37829160
  O     17.67967698     13.58385571    -11.69485542
  H     15.70045725     10.84568454    -15.42872781
  H     17.69481256     14.44208201    -12.13562136
          69
 Energy    -250.49703355001338     
  O     21.33890636     12.24742706    -18.51557974
  H     21.79741206     11.77703208    -19.20646410
  H     18.74596944     13.63873409    -19.38688739
  O     16.77136465     18.03659723    -14.79615906
  H     20.77084103     12.90698771    -18.95671818
  H     21.76615802     16.98873849    -16.04447007
  O     22.56775950     13.21594629    -13.96529223
  H     16.90688611     18.06910181    -15.75019033
  H     20.64711341     15.96091019    -16.29738973
  O     15.36260358     13.93209727    -14.97512421
  H     17.64940719     18.09622423    -14.39472134
  H     22.30517942     14.88714527    -13.16058016
  O     17.39126648     12.79933827    -18.33667792
  H     23.26942876     12.61589127    -13.72926540
  H     21.29293349     15.72001399    -12.32942901
  O     17.17465180     10.21100955    -15.49967951
  H     22.67717861     13.42351414    -14.91255957
  H     18.19521574     12.58605470    -13.81095438
  O     15.22676195     11.81825403    -16.91632731
  H     15.17935005     14.70511959    -14.42646281
  H     17.11364033     11.53027543    -14.08547446
  O     22.68677669     13.83467581    -16.57329367
  H     16.01153692     13.39890554    -14.49340839
  H     16.99952388     16.79677797    -17.46094815
  O     22.04602963     17.94519681    -14.42484458
  H     16.54483801     12.44078866    -18.03273360
  H     16.58295510     18.03474781    -18.28784215
  O     15.29589038     16.24919681    -13.39604634
  H     18.06849735     12.35969750    -17.80478139
  H     19.59626478     16.22270636    -10.56223181
  O     19.81983962     12.99602325    -14.41887348
  H     17.95318184     10.55051311    -15.97162475
  H     18.79973352     15.50319509    -11.67179738
  O     19.61787920     13.98374393    -19.61447626
  H     17.25923484      9.26078620    -15.48233268
  H     20.20811571     17.96485796    -13.99231264
  O     21.44758360     16.34545499    -16.68803110
  H     15.05003180     12.52915692    -16.28687323
  H     19.39356628     17.24240514    -12.88581295
  O     22.12006832     15.77229885    -12.82434756
  H     15.74628857     11.16587212    -16.43021727
  H     16.60145174     15.25939589    -12.43590646
  O     17.26903577     12.36387387    -13.62676639
  H     22.28396153     13.28750375    -17.25756149
  H     17.23218779     13.84794358    -12.42842353
  O     17.19511489     17.73781205    -17.61785462
  H     22.36207006     14.73468225    -16.71307596
  H     20.05515329     11.61366304    -17.32569838
  O     19.60417151     16.02235486    -11.49491396
  H     22.16647731     17.17060100    -13.84411486
  H     19.54298968     12.02019907    -15.92084541
  O     19.31365194     17.72237837    -13.72109975
  H     22.74374451     18.56032173    -14.21697893
  H     19.09218878     16.21665658    -14.81704421
  O     17.30122187     14.72710344    -12.03761547
  H     15.79176063     16.90862836    -13.91342322
  H     18.37880549     15.38145836    -15.93532783
  O     19.32313334     11.49877856    -16.70666484
  H     14.57239423     16.71294638    -12.98278160
  H     20.36120589     16.68147418    -18.19044641
  O     19.17318343     15.44434534    -15.38970152
  H     20.74733673     12.97971777    -14.15787749
  H     18.91123146     17.14297742    -18.44356021
  O     19.64247680     16.65562609    -18.83618167
  H     19.62541282     13.89251655    -14.73574351
  H     16.28789512     14.77145395    -16.27745712
  O     16.88677380     15.12292258    -16.94947018
  H     19.60800097     14.93201937    -19.42075290
  H     17.10518972     14.38660679    -17.53606970
          69
 Energy    -250.49644591116976     
  O     -3.65008703      1.11550119      1.35686103
  H     -4.22729090      1.76975650      0.97107703
  H     -0.92767579     -5.11633902     -2.39752253
  O     -3.74139055     -1.49042389      6.45223909
  H     -3.93143307      0.25308445      0.99991079
  H     -1.44078923     -5.43889569      1.29846017
  O      0.94570069      1.16462865      2.86858572
  H     -3.90028640     -0.92911079      5.68196334
  H      0.04465544     -5.83559373      1.14613777
  O     -3.76367763     -0.21610661      3.87391637
  H     -4.17956430     -2.32791909      6.25929160
  H      2.14270989     -1.58009763      4.16449056
  O      1.60874307     -2.55193067      5.76245233
  H      1.51461211      0.38412815      3.00301120
  H      2.33004149     -1.74683468      2.63826449
  O     -4.61457147     -4.09936952      5.54899945
  H      1.44718407      1.92268793      3.15542177
  H     -1.13410033     -2.16931778      0.82031282
  O     -1.07001604     -2.03452452      6.02825091
  H     -3.91733961      0.37290731      3.12683860
  H      0.20854918     -2.51565116      1.55147129
  O      0.87836658     -5.06065591      4.61498891
  H     -2.79915216     -0.31488940      3.90037888
  H     -3.19438611     -3.86184471      2.56902009
  O     -4.60095718     -2.76281620      3.01883416
  H      2.10467172     -2.46014138      6.57295992
  H     -1.70593244     -3.63338097      2.23372584
  O     -0.84744319      1.14458995      0.61438394
  H      0.68336367     -2.34798384      5.97958745
  H      1.89417558     -2.86851359      0.38184271
  O      1.65767789     -5.68354608      2.10625255
  H     -5.10106087     -4.79627959      5.98221456
  H      1.94835993     -3.92784694      1.53688973
  O     -0.76144246     -4.49886244     -1.69077863
  H     -3.68947552     -4.39211974      5.50454931
  H      0.72156287     -3.28826952     -1.52555144
  O     -0.79539574     -5.79336063      0.67260229
  H     -0.99563223     -1.49715971      5.22368442
  H      0.94048734     -1.76331117     -1.44440778
  O      2.34520800     -1.09724179      3.35543418
  H     -1.94181777     -1.82848254      6.39325392
  H     -0.41560104      0.16383717      3.60115176
  O     -0.71888886     -2.28049890      1.68462458
  H     -0.04415789     -5.10290302      4.89205635
  H     -0.95316629     -1.15823619      3.00467107
  O     -2.34541924     -4.31591592      2.48985642
  H      1.23366075     -4.24977729      4.99913729
  H     -0.39387518      0.30422334     -0.82049124
  O      1.95340188     -2.98268760      1.34287763
  H     -4.81323394     -3.25015038      3.82378008
  H     -0.13529627      0.39234390     -2.34249553
  O      1.37413605     -2.61331652     -1.29968283
  H     -4.33409597     -1.87855359      3.31170644
  H     -1.71231647     -3.01015294     -1.16831049
  O     -1.04810608     -0.54728632      3.75195822
  H     -0.25105432      1.18281495      1.37118515
  H     -1.50487231     -1.47181005     -1.20591785
  O     -0.21328609     -0.22398768     -1.61939043
  H     -1.75023305      1.16590717      0.95348877
  H     -1.59618302     -3.72776921      5.48453258
  O     -2.03330357     -2.17481948     -0.80406336
  H      1.38510060     -5.50147503      3.02372618
  H     -2.01014294     -4.56141198      4.23029618
  O     -1.89686628     -4.60098577      5.19354677
  H      2.30737936     -6.38046570      2.14588776
  H     -3.62340997     -1.73388104      0.00870743
  O     -4.35890833     -1.35796175      0.51247667
  H     -0.77117105     -5.01114446     -0.86193805
  H     -4.55892095     -1.97173686      1.22837596
          69
 Energy    -250.49599925037029     
  O     13.97585524      9.87585909    -11.54933342
  H     14.21787530     10.51586828    -12.23525333
  H     14.02000242      3.87870456    -14.99455832
  O     14.74144780     10.68878427    -17.31505602
  H     13.21878477      9.38290512    -11.88672170
  H     16.73645811      4.03511149    -11.29132630
  O     17.52534306     10.68276482    -13.49775068
  H     14.21995697     10.13679806    -16.71963769
  H     16.71115797      3.01652606    -10.12651996
  O     12.76480634      5.64341854    -12.64317544
  H     14.73836523     11.57279894    -16.92636482
  H     18.53185730      6.99847976    -14.30130451
  O     15.25184339      7.40142649     -8.29304283
  H     17.83569242     10.59580456    -12.58970294
  H     18.71906339      6.76177801    -12.79895957
  O     17.69602249     12.31582161    -15.79199515
  H     17.68437447      9.85298174    -13.97081408
  H     16.06756341     12.95391043    -15.85579566
  O     15.69325798      7.69442085    -12.11753612
  H     13.22191125      5.62005043    -11.79188534
  H     15.00609452     14.06519345    -16.04992956
  O     14.85993001     11.33280838    -13.71457396
  H     12.46905546      6.55340176    -12.76303498
  H     14.19747656      8.50384273    -15.09730889
  O     18.34424627      7.71470206    -11.26047845
  H     14.72010606      7.24525964     -7.51628260
  H     14.03873939      9.98661754    -14.64785717
  O     18.18448875     10.46530849    -10.74789747
  H     14.87679921      6.85384334     -9.00251480
  H     17.63006482      9.93102059    -18.46128484
  O     16.88523242      4.29925865    -12.96365628
  H     17.75304407     11.62117585    -16.46033521
  H     16.43258067     10.23859617    -17.53097625
  O     14.44753568      4.57365911    -14.50188693
  H     17.79218352     11.86404207    -14.94234789
  H     11.08789671      8.63176395    -13.14128788
  O     16.57093171      3.93567143    -10.33449589
  H     16.61549505      7.73818684    -11.82989818
  H     12.46735821      8.69382063    -13.83388713
  O     18.67538815      6.30286110    -13.64983451
  H     15.23944512      8.50562327    -11.85922470
  H     15.12445738      5.08140645    -10.36606356
  O     15.11009281     13.13793835    -15.85637237
  H     15.79775468     11.10426646    -13.62032571
  H     14.93575875      6.44215148    -11.08492574
  O     13.59505129      9.26395863    -15.11636905
  H     14.81562981     12.05824196    -14.34825237
  H     17.44639074      5.36588283     -9.43312299
  O     17.39190371     10.07338447    -17.54905332
  H     18.25559904      7.19750891    -10.44541402
  H     16.99606648      6.61304142     -8.64748690
  O     12.00867920      8.40766788    -13.02614674
  H     18.47093677      8.63835196    -11.01703739
  H     15.48423207      7.32332209    -13.82677199
  O     14.52221833      5.83302304    -10.45157019
  H     17.35751559     10.32186561    -10.25283203
  H     15.07198104      6.27055471    -14.88324285
  O     17.76382000      6.19825605     -9.05827539
  H     18.71685295     11.06375663    -10.23078589
  H     15.09440837     10.03442454    -10.08523573
  O     15.34658902      7.18850490    -14.77904478
  H     17.52665513      4.95174671    -13.28247861
  H     15.68878530      9.10986890     -9.00526147
  O     15.84676082      9.93082924     -9.48664559
  H     16.11412890      4.34738745    -13.53741001
  H     16.90684729      8.00425845    -15.16545111
  O     17.73666686      8.50119880    -15.22380535
  H     13.79939557      4.89963450    -13.85191623
  H     17.71941210      8.96741276    -16.06825252
          69
 Energy    -250.49590984200762     
  O     12.15917657      9.63430839    -10.93874655
  H     11.55905312     10.35745725    -11.16214483
  H     14.64582498     14.75327861     -7.38795631
  O     12.20203474      7.68564729    -12.96734671
  H     12.17958076      9.01232979    -11.67455021
  H     10.48312650     12.13659524     -9.76808397
  O      8.95669689      9.97587245    -12.82859352
  H     11.64411531      8.04921003    -13.66784933
  H     11.42357576     11.98183226     -8.53697328
  O     14.65206692     10.38818912    -10.13968276
  H     11.67181989      7.08011131    -12.43447809
  H     12.49518917      9.76675324     -7.86106950
  O     15.50678691      7.68975266    -10.24776792
  H      8.86753231      9.28154619    -12.16513327
  H     12.03847735      9.14496864     -9.18779605
  O     12.25967660     15.60006748    -11.53437279
  H      9.47443596      9.60866052    -13.55591432
  H     12.35976826      6.45316934     -9.95263499
  O      8.68019097      8.08326796    -10.64675128
  H     13.77690615     10.16014305    -10.49528499
  H     12.79446544      7.36988847     -8.79965849
  O     12.41417796     13.18096594    -12.93426971
  H     15.12368323      9.55033494    -10.07527172
  H     14.92608664     11.66077754    -11.37781259
  O     14.79642936     14.64884615    -10.56127628
  H     16.21202047      7.17319166     -9.86698664
  H     15.17418991     11.78666194    -12.89706414
  O     11.49091924     14.89548382     -9.02960635
  H     14.67370870      7.27947359     -9.95576700
  H     11.34392209      9.81406226    -14.88245336
  O     14.94115094      8.19540686    -13.00515879
  H     11.90542692     15.37139038    -10.65594385
  H     10.46185774      8.91112288    -15.77862294
  O     14.07898578     14.25205247     -7.96794491
  H     11.95682937     16.48223471    -11.73099056
  H      9.87826896     11.28101311    -12.03750723
  O     10.53366042     12.24891185     -8.80496111
  H      8.91738890      8.67263959     -9.90768053
  H     11.09225165     12.29293127    -12.07247809
  O     12.08650752      8.97529862     -8.23144904
  H      7.75160252      7.88799404    -10.54372140
  H      9.55378939     10.59787157     -8.58860079
  O     13.11396161      6.67905289     -9.39874043
  H     13.27678219     12.87261000    -12.62015809
  H     10.23060492      9.27402137     -8.25044362
  O     14.94564337     12.29506084    -12.10932211
  H     12.29713674     14.06979122    -12.57561790
  H     12.37037652     11.87897765    -14.28375453
  O     10.71710415      9.06641286    -14.87343081
  H     14.03183752     15.08071262    -10.96188830
  H     13.44850646     10.87029810    -14.71946799
  O     10.50926912     11.77953314    -11.49858366
  H     14.99673639     13.88885708    -11.12314288
  H     15.95887203     10.44819337    -14.94369026
  O      9.39633634      9.64584323     -8.56687949
  H     12.31542291     14.77620997     -8.54240309
  H     15.19569875      9.68680241    -13.83300856
  O     12.50839337     11.07330675    -14.79794701
  H     10.99644442     14.07493649     -8.90458045
  H     10.01290723      6.87762850    -10.89064127
  O     15.26873665     10.54298936    -14.29283697
  H     15.22595702      7.99316772    -12.10670280
  H     10.33675766      5.37517672    -11.03962121
  O     10.72773410      6.24551971    -11.06929179
  H     14.01457505      7.92257556    -13.05835371
  H     13.52853733     12.46614289     -7.87529959
  O     13.22073990     11.56512172     -8.03343966
  H     14.41589986     14.38366640     -8.87250582
  H     13.80824009     11.20250680     -8.71178987
          69
 Energy    -250.49519043403922     
  O     13.17216812     11.94583686     -8.75250889
  H     13.17228088     11.98822440     -7.79995831
  H     11.45947426     13.78929108    -13.73763416
  O     11.04463516     10.81513899    -15.38019154
  H     13.84117536     12.58306239     -9.06298478
  H     13.22643497     13.41184987    -12.62108816
  O     13.88884990      9.56005679    -10.21188576
  H     11.33255658     10.86167328    -16.29981097
  H     13.18543722     14.85864220    -12.09510864
  O     18.47207857     13.02248880    -12.98010583
  H     10.99230834     11.72541447    -15.05571862
  H     12.44580295     12.97025758    -17.13131191
  O     11.22389639     12.41820269    -10.71434852
  H     13.75067644     10.33261347     -9.65159038
  H     11.94919284     13.77215908    -15.91344956
  O     11.41632258      9.68953089    -11.52119884
  H     13.02744250      9.38433561    -10.61242538
  H     13.91283697     11.30547378    -13.24776139
  O     13.05205909      9.80706939    -13.75931595
  H     19.41820307     13.11482027    -13.04583958
  H     15.06871390     12.02967921    -12.46428874
  O     14.74211352     15.78859955    -11.57867347
  H     18.18836721     12.45059862    -13.71791362
  H     16.74619955     12.16420215    -15.30881889
  O      9.32970028      9.87933194    -13.31507745
  H     11.77504331     12.27042093     -9.93537503
  H     16.88701379     10.74441903    -14.72969207
  O     15.12060465     13.16969325    -15.48824710
  H     11.69651279     13.06906283    -11.25417063
  H     12.19084068     10.89944676    -18.78240158
  O     14.68341047     10.61085797    -16.77879070
  H     10.63784773      9.55539376    -12.08134087
  H     13.13695680     10.87660797    -17.55735651
  O     10.81121803     13.43237791    -14.36263166
  H     11.37226388     10.61202566    -11.23570030
  H     15.38233254      9.20510808    -11.03638543
  O     12.62079588     14.13550878    -12.38761750
  H     12.54373661      9.64709249    -12.95383295
  H     16.68215939      8.36934901    -11.05496864
  O     12.65688026     13.72471479    -16.56755009
  H     12.41517483     10.10164616    -14.42446701
  H     14.74718536      9.38941096    -14.21048653
  O     14.32236409     12.16031053    -13.06155093
  H     15.34632278     15.52026725    -12.29362041
  H     16.02778024      9.13214447    -13.42915785
  O     17.38635536     11.54649087    -14.93331331
  H     14.88872190     16.71936995    -11.43303890
  H     16.58588771     10.91318166    -11.35279982
  O     12.26402093     11.17288868    -17.87230517
  H      9.81287883     10.05391784    -14.13411198
  H     17.28213407     12.23633852    -11.82357192
  O     16.23893781      9.09395000    -11.48879866
  H      9.02308135     10.74333888    -13.01394347
  H      8.21536157     12.97319365    -11.89872604
  O     15.70916640      9.32967129    -14.31796380
  H     14.84921662     12.80459366    -14.63004897
  H      9.67449363     12.52399771    -11.67134654
  O     16.52622627     11.87683279    -11.34132463
  H     14.31722560     13.50053093    -15.91666535
  H     17.16180656     14.39113831    -13.34689259
  O      8.96747042     12.58010832    -12.33516886
  H     15.09869008      9.99656692    -16.16589929
  H     15.98897454     14.51003073    -14.33975552
  O     16.39175421     14.92795278    -13.56965250
  H     14.87897936     11.48986042    -16.42991528
  H     14.95149919     14.39124193    -10.27423217
  O     15.05444445     13.60173332     -9.73158183
  H     10.03312593     13.23399858    -13.82802530
  H     15.65193607     13.01540165    -10.21762920
          69
 Energy    -250.49434937783022     
  O     -2.12700654      3.49694924      4.12300458
  H     -1.98636884      3.64232891      3.17730595
  H     -3.20648121      1.67381410      0.32353761
  O      1.11072255      3.49383536      1.67660357
  H     -2.59325510      2.65208445      4.20149601
  H     -6.45383371      3.63615449      1.80242249
  O     -1.58614156     -0.75430470      3.23952144
  H      1.90088934      3.89285110      1.32235086
  H     -5.38940775      4.41741525      0.96819479
  O     -4.59549081     -0.93043273     -1.66913520
  H      1.20256040      2.53166949      1.55176712
  H      0.57132493      0.33490404      1.06768568
  O     -2.72349899     -2.41316951     -0.41665029
  H     -0.75990346     -0.56729518      3.70192395
  H      1.27401393      0.45991839      2.43366438
  O     -4.49322073      1.49560814      1.46595684
  H     -1.41220843     -0.58662494      2.30167426
  H     -3.72486796      4.53581866      4.28252962
  O     -6.75678271      3.32963525      3.51321150
  H     -5.48313209     -0.82791882     -1.30551107
  H     -4.41346873      5.32438955      3.17225292
  O     -3.49213411      1.09418227      3.98454784
  H     -4.36902079     -0.08052283     -2.06477507
  H     -1.89452219      3.24199251      0.71580081
  O     -4.09174386      1.73335617     -2.59919508
  H     -3.39879402     -1.90213019     -0.89860266
  H     -0.67904241      3.89908685      1.41791890
  O     -7.12602675     -0.42038395     -0.43566496
  H     -2.56461967     -3.20617809     -0.92138775
  H     -3.71051644      6.40683030      0.91406169
  O     -6.11018259     -0.70029960      2.08361839
  H     -5.06325639      2.25976973      1.30498735
  H     -3.07002115      5.04864553      1.27134812
  O     -2.49277584      1.87421970     -0.30520469
  H     -5.05540324      0.71695650      1.56012391
  H     -5.18042041      0.79629884      4.52168523
  O     -6.05631683      3.72174152      0.92033737
  H     -6.03977437      3.89029810      3.84914843
  H     -6.33883663      0.43270166      5.47863204
  O      1.28900664      0.79120928      1.52752715
  H     -6.64581743      2.46433045      3.91817314
  H     -0.35445103      3.09722404      4.50653483
  O     -4.56167156      4.95832789      4.05180550
  H     -3.81250832      1.33635778      3.10089881
  H      0.86801953      3.15780043      3.58073222
  O     -1.64067620      3.93930532      1.33765864
  H     -2.81689957      0.41630952      3.84551007
  H      0.76196416      1.07494896      4.42889185
  O     -3.90346700      5.54664654      1.27952463
  H     -4.10302230      2.04035066     -3.50133729
  H      1.48170946     -0.18701942      4.96075676
  O     -6.14207381      0.66190194      4.57359407
  H     -4.95129034      1.97627667     -2.20750963
  H     -3.08949162     -1.83619046      2.71106121
  O      0.56560004      2.80951380      4.42775789
  H     -7.96488888     -0.86030288     -0.55002082
  H     -3.48085897     -2.37783665      1.32654642
  O      0.86935997      0.11579693      4.29591054
  H     -6.86210652     -0.56065003      0.48923066
  H     -1.51782996     -1.10842440      0.13741436
  O     -3.83172169     -2.19046438      2.20630680
  H     -5.35474546     -1.30537353      2.16740099
  H     -1.50103513      0.44175422      0.16618862
  O     -1.05815442     -0.34666907      0.51116547
  H     -6.28515863     -0.32296439      2.95403005
  H     -6.42394707      2.81727028     -0.63075596
  O     -6.45323029      2.21441524     -1.38705044
  H     -2.90508742      1.89990953     -1.17656002
  H     -6.79624990      1.37589273     -1.05584719
          69
 Energy    -250.49369772341277     
  O     12.02747189      9.88987339    -10.50402452
  H     11.95498334      9.05289479    -10.97635222
  H     10.76140091     10.44165286    -15.60303831
  O     14.99256738     10.40333963    -12.75849957
  H     11.62514815     10.54314585    -11.08924426
  H     15.58829291     13.78396256    -14.33487541
  O     17.44248207     13.34740580    -14.07077384
  H     14.39996847     11.12136977    -12.50774005
  H     14.57789423     13.10528882    -15.27919890
  O     17.12723579      7.65524551    -13.43148037
  H     15.87544576     10.68989165    -12.49261122
  H     17.25478438     10.52572493    -15.96339944
  O     11.21692515     11.56414740    -12.64796978
  H     17.43765683     12.65980962    -14.76234256
  H     16.35953190     11.69296376    -16.41662523
  O     12.03220370     14.41584342    -15.50804926
  H     18.16056107     13.93933711    -14.28017318
  H     14.66697435     12.93800259    -10.77200255
  O     14.50199125     11.91775256    -16.63880550
  H     17.63260912      8.11969396    -12.74773693
  H     15.24511394     13.67114565     -9.53713214
  O     16.07934905      8.18132763     -9.46084041
  H     16.27601374      7.46633554    -13.02207633
  H     17.39790376     12.31846378    -12.51542984
  O     13.61837753     12.79440882    -12.16516326
  H     11.40292613     10.83445496    -13.25631375
  H     16.72792522     12.16341753    -11.11773640
  O     14.36446176      9.52291552    -15.26987803
  H     10.64091242     12.17931044    -13.11802391
  H     11.72629683      8.70396097    -13.70654790
  O     14.44119893     10.29048316     -9.16914701
  H     12.07013780     13.93671743    -16.34598148
  H     12.62030290      9.38055353    -14.77349961
  O     10.39228830     11.14559836    -16.15221588
  H     12.92319750     14.38246387    -15.14009584
  H     17.07682344      8.26665295    -15.02680249
  O     14.64929552     13.74021561    -14.55026444
  H     13.70582300     12.12549071    -17.14193636
  H     17.35248450      8.02667097    -16.52971311
  O     17.21607962     11.48805785    -16.01768868
  H     14.36069808     11.05770653    -16.21601841
  H     11.67470349     12.68031498    -18.62104645
  O     15.33838620     12.88498168    -10.06888178
  H     16.21167110      7.75239855     -8.62025882
  H     11.42948615     12.02503007    -17.23945918
  O     17.26743444     11.70857748    -11.77797081
  H     15.50494722      8.95232993     -9.29635531
  H     12.99347918      7.52756355    -12.12989151
  O     11.74137802      9.40631708    -14.36908742
  H     12.72380423     12.45353543    -12.29836068
  H     11.69389203      6.69052759    -12.05832258
  O     16.94675221      8.63634273    -15.91978294
  H     13.92526192     13.17528430    -12.99995935
  H     17.53057653      8.78290267    -10.58798393
  O     12.03172515     12.60433552    -17.74057960
  H     15.15068186      9.08524092    -15.61824295
  H     17.98900620     10.01670533    -11.39331421
  O     12.02835778      7.56239689    -12.25169505
  H     14.61742802      9.85953952    -14.39491231
  H      9.13391806     13.93930345    -14.26806115
  O     18.13810852      9.06884153    -11.28153161
  H     13.57372180     10.17544965     -9.58509648
  H     10.61047652     13.77971293    -14.70695212
  O      9.84380898     13.30694429    -14.33572705
  H     14.74060986     11.17937919     -9.38463336
  H     14.77661756      8.70675519    -12.14971296
  O     14.71162477      7.78035919    -11.86956823
  H     10.04325024     11.80886054    -15.54382780
  H     15.15286963      7.73900246    -11.01110914
          69
 Energy    -250.49258988552646     
  O     10.71326800      8.82302659    -12.13067711
  H     11.49600631      9.20465971    -11.71210431
  H     14.26713214      4.37046088    -11.31796487
  O     11.86957808      3.18083771    -10.26352174
  H     10.93246187      8.70838372    -13.06277620
  H     15.14621275      6.01995530    -14.73375385
  O     17.39033100      6.74071743    -12.43571686
  H     12.83009772      3.18867561    -10.41972822
  H     16.07523602      6.70548914    -13.65981559
  O     14.49407295      4.41626292    -15.40327391
  H     11.65782102      2.32411802     -9.90243165
  H     14.12359516      6.20503943    -12.87593725
  O     16.91450787      4.21188391     -9.83485660
  H     17.00339555      6.76536552    -11.54857455
  H     12.76692374      5.64194843    -12.32529916
  O     15.52759398     11.17071642    -10.70512609
  H     17.77904038      7.61552483    -12.58271044
  H      8.67962986      6.86668779    -10.75155736
  O     11.50447949      5.78017307     -8.96304351
  H     14.91146055      3.88402450    -14.70192598
  H      9.96775630      7.50539313    -11.32282058
  O     14.08307284      9.22432407    -13.86046004
  H     14.67094934      3.96866171    -16.22647434
  H     18.10366271      9.49189384    -11.54327605
  O     11.93698636      5.69587953    -14.92598971
  H     16.84744748      5.16391120     -9.67900016
  H     17.56121957      9.95089658    -12.90959253
  O     17.52305002      9.63546151     -9.70588029
  H     17.47546540      4.10394654    -10.61186504
  H     12.99143998      6.82692861     -9.26302115
  O     15.74049468      3.09876464    -13.40135764
  H     15.75368778     11.31129823    -11.63276217
  H     13.72621858      6.80206950    -10.60874278
  O     14.48497112      3.52223220    -10.90208161
  H     14.66042580     10.74348193    -10.71546522
  H     18.01358133      5.08865965    -12.50350090
  O     15.27806652      6.81198263    -14.19909736
  H     11.62897302      4.87218527     -9.26251162
  H     19.14699609      4.04401203    -12.62266018
  O     13.67139989      5.88330249    -12.08875445
  H     10.80544871      6.13902384     -9.52430850
  H     15.52241462      7.11416248     -9.66706762
  O      9.60235781      6.69692690    -10.91997465
  H     14.57175802      8.40246805    -14.02171878
  H     16.87145744      7.88541571     -9.67518441
  O     18.18610071      9.34403446    -12.49443266
  H     13.21101264      9.08972747    -14.25055886
  H     15.36546932     10.45824251    -13.70183935
  O     13.71183017      7.25093865     -9.74790025
  H     12.74709710      5.20860576    -15.11416174
  H     16.11461258     11.71511453    -14.19801753
  O     18.21521399      4.13905826    -12.44243459
  H     11.52270806      5.26531598    -14.16529400
  H     10.48168341      5.46443505    -11.96705873
  O     16.47301586      7.01805646     -9.82063640
  H     17.98397504     10.09454374     -9.00878025
  H     11.26977578      4.15195102    -11.76766304
  O     16.10552517     11.05729009    -13.50729821
  H     16.78722268     10.21112953     -9.98208002
  H     13.40665303      8.82697120    -10.59329071
  O     11.06935508      4.84027846    -12.41493753
  H     15.25556906      3.05268151    -12.56763572
  H     13.58816120      9.40016565    -12.03742232
  O     13.24332257      9.59861700    -11.15572336
  H     16.63861230      3.35699388    -13.15977391
  H     11.05627913      8.65029541    -15.58163357
  O     11.57926461      8.39293485    -14.82669983
  H     15.30199552      3.66321509    -10.40238016
  H     11.71340821      7.43111413    -14.89612367
          69
 Energy    -250.49257122876270     
  O     18.17491750      8.76335358    -12.59408455
  H     18.73617819      8.81885468    -13.37644565
  H     13.99316471      8.32118102    -15.21375617
  O     11.73703493     10.92209827    -11.56276471
  H     18.53571271      9.32546485    -11.89419064
  H     11.76953370      9.22401197    -16.05354273
  O     19.48251457      9.00709065    -15.03760996
  H     11.30896796     11.38370577    -10.84686117
  H     12.47523162     10.05192427    -14.95286336
  O     11.48928373      8.30478813    -12.69084347
  H     12.61306191     10.64630433    -11.23886221
  H     15.54959376      8.54667067     -8.37911912
  O     17.00858394      6.86712997    -10.98128391
  H     18.65500842      9.03893536    -15.55312798
  H     16.22058926      9.94165496     -8.33794981
  O     18.78363120     10.20653285    -10.32137566
  H     20.11027557      8.50609011    -15.55011292
  H     14.25671861      9.14979573    -10.43049494
  O     19.00412730     12.59604317    -11.88048870
  H     11.43206900      9.17024802    -12.26847479
  H     14.68494313      9.92191004    -11.70843468
  O     16.29030592     11.36717059     -9.67869822
  H     11.72098350      8.48000790    -13.61096720
  H     17.73488433      8.25039011     -8.34196131
  O     12.69565486      6.29526233    -11.33510720
  H     17.39792551      7.46447884    -11.63797763
  H     19.02603847      7.46248537     -8.01642542
  O     17.12210303      9.28343239    -16.31491856
  H     17.56803481      6.96709454    -10.20177475
  H     15.70216221     12.98405181    -12.87964945
  O     15.02217963      6.22203016    -13.02066449
  H     18.88470235      9.43259993     -9.75455795
  H     15.51250317     11.55040537    -13.43826199
  O     14.91223129      8.06516541    -15.06794906
  H     17.93176786     10.60352389    -10.08492661
  H     15.37388356      9.26447073    -13.81516163
  O     12.32716379      9.14750953    -15.28365879
  H     19.17132163     11.81422274    -11.34270830
  H     16.61495836      9.54195551    -12.93384485
  O     16.23429191      9.06478651     -7.93454149
  H     19.14424341     12.34124668    -12.80512619
  H     19.45312332     10.89081150    -14.70842350
  O     14.19359795     10.00488355    -10.87667571
  H     16.36707724     12.22261544    -10.11798170
  H     18.43595964     11.98603070    -15.05690980
  O     18.52352550      7.83538342     -8.73574481
  H     15.51719638     10.94016086    -10.07505590
  H     16.21553902     12.34249982    -15.18693932
  O     15.34467411     12.48929175    -13.62590708
  H     12.23044058      7.00433208    -11.81382982
  H     16.53708666     12.77806337    -16.63302426
  O     15.71848168      9.84667843    -13.12587949
  H     12.07270580      5.58143836    -11.22784531
  H     15.42841246      7.28928756    -10.16754586
  O     19.21261009     11.80453105    -14.51503634
  H     16.90194286     10.22200376    -16.26968495
  H     13.89749215      7.04844302    -10.13009876
  O     16.74117501     12.12041480    -15.97248975
  H     16.35383959      8.79832086    -15.98489931
  H     16.68561738     14.56207816    -11.09724294
  O     14.61164743      7.54742046     -9.71361215
  H     14.21839324      6.15989451    -12.49045152
  H     17.49881385     13.33191236    -11.56921105
  O     16.59964847     13.64939771    -11.35889687
  H     15.74845057      6.26537695    -12.38851224
  H     13.55360146     12.02249817    -14.01418968
  O     12.70329575     11.58760653    -14.15352405
  H     14.93297830      7.33544123    -14.42922605
  H     12.30058531     11.49563546    -13.28038111
          69
 Energy    -250.49223276501732     
  O     12.26680341      8.23289257    -14.82286588
  H     12.18374922      9.04081516    -14.30225161
  H     12.20447239      3.97680789    -12.93243974
  O     13.17892442      9.80402007     -9.10008016
  H     13.20413309      8.11140315    -15.01571040
  H     12.92145642      5.97983811    -12.32192112
  O     16.34274117      4.61489597    -11.69380084
  H     13.13696854     10.46108755     -8.41004320
  H     13.25333314      6.19034896    -10.81186153
  O     11.99142569      2.91003558    -11.52836005
  H     13.54424717     10.24765493     -9.88684263
  H     10.88958116     10.92724317    -13.16248348
  O     14.89967382      7.50662762     -8.65976767
  H     16.45214997      5.49570485    -11.30540880
  H     11.48023675      9.79240027    -12.29562488
  O     17.88373853      7.74291995    -15.25205202
  H     17.19368658      4.36663071    -12.07751241
  H     19.48329144      3.59725599    -13.13927326
  O     14.03538865     10.84703792    -11.46094871
  H     12.86246432      2.84742904    -11.11679746
  H     18.41554340      4.37225772    -13.95006013
  O     15.07581797      5.00198280    -14.21100588
  H     11.43012521      3.38164422    -10.89974572
  H     14.37114952      7.85052711    -12.14462299
  O     10.52431384      4.60455998     -9.75206161
  H     14.34129738      8.28666612     -8.75810956
  H     15.13269031      8.31590343    -13.40242200
  O     18.70582667      7.08206115    -12.72796072
  H     14.30087709      6.74876090     -8.67532631
  H     15.05514079      2.38913328     -9.83874313
  O     13.20074905      5.30478431     -9.20274066
  H     18.17696751      7.58984078    -14.33612773
  H     15.21980676      3.59092993    -10.79588967
  O     12.45190551      4.67335888    -13.55882563
  H     18.51539638      8.34063579    -15.64323107
  H     16.23045872      7.28534889     -9.88837866
  O     13.15908661      6.64099079    -11.66076632
  H     13.28082247     10.93169488    -12.05520957
  H     16.22706213      7.71159947    -11.36640269
  O     11.67100083     10.39451476    -13.03483697
  H     14.53602656     10.09428666    -11.81015614
  H     17.75613279      5.82363210    -15.54131020
  O     18.76526264      4.21785631    -13.05360901
  H     14.13820818      4.78301599    -14.11708666
  H     16.67024248      4.80052066    -15.16696527
  O     15.04735222      8.47296648    -12.45476732
  H     15.46816392      4.90677340    -13.33334069
  H     11.85122449      9.02076256    -10.18550513
  O     14.57397534      3.09365521    -10.26569312
  H      9.79052740      4.36177571     -9.19354230
  H     11.97228706      7.90942627    -11.25004660
  O     16.71547422      7.18054866    -10.71877751
  H     10.18499142      5.25919585    -10.38773609
  H     15.99628848      7.80242074    -15.30517902
  O     17.60308652      4.87933091    -15.41326755
  H     18.16377278      7.21168507    -11.93898644
  H     15.01510255      6.71379941    -14.82927456
  O     11.39048013      8.61891567    -10.93240454
  H     18.88861967      6.13552727    -12.76492540
  H     11.03084523      7.05671241    -14.51517423
  O     15.06669828      7.64406657    -15.09781902
  H     13.68769624      4.50393472     -9.43897457
  H      9.77193297      6.32927949    -15.04352027
  O     10.36228970      6.38177541    -14.29645043
  H     12.26021018      5.08940401     -9.25710694
  H      9.81536639      6.42978057    -12.46553082
  O      9.66882421      6.49076773    -11.51367190
  H     11.65324966      5.11111141    -13.87491184
  H     10.08171539      7.32010376    -11.23722637
          69
 Energy    -250.49065552258458     
  O     11.89774177      9.67919797    -13.68841810
  H     12.27101761     10.52051786    -13.97049789
  H     19.79030210      9.17147732    -15.48079930
  O     17.02713621      6.98278679    -13.37435729
  H     12.15164861      9.03111877    -14.36236587
  H     15.30922813     10.19980881    -15.69942742
  O     17.74695402     11.04980264    -11.85506549
  H     16.54231043      6.85506537    -12.54769065
  H     15.98267456     11.37652048    -16.44885515
  O     17.72286141     11.89580864    -16.59602918
  H     17.81837044      7.48655390    -13.14337610
  H     15.96844081      8.22607565    -14.15541033
  O     13.42993640      5.19883510    -14.68489834
  H     16.85007122     11.12330966    -12.21351515
  H     14.53029655      8.46050969    -14.71988485
  O     14.55364660      9.45694605    -10.47366710
  H     17.63447208     10.90249547    -10.90868326
  H     11.18544185      8.45417859    -10.89086378
  O     15.77355775      6.91982703    -10.88643808
  H     18.17549289     11.93356275    -15.73448185
  H     11.97074136      8.93758419    -12.13331108
  O     15.12025316     10.97182563    -12.70917502
  H     18.12981142     12.55865526    -17.14767021
  H     18.69477784      7.90984580    -10.71931091
  O     16.66645334      7.25608297    -17.70082720
  H     12.93140199      4.38823433    -14.74170283
  H     17.92233352      8.53369679     -9.54510250
  O     18.54968072      9.12766694    -16.68612741
  H     13.42162862      5.46804590    -13.74814599
  H     12.86963018      6.83013866    -11.86068885
  O     16.09429285      5.63960132    -15.61565776
  H     13.65114744      9.13219176    -10.58480594
  H     14.24466007      6.17697848    -11.64647119
  O     20.44918632      9.32956606    -14.77982173
  H     14.71575742     10.04254072    -11.22854706
  H     19.67373412     11.04092572    -14.37393232
  O     15.13057970     10.95371014    -16.28396994
  H     15.34271439      7.77559193    -10.76024547
  H     18.68303053     11.68255840    -13.38000743
  O     15.34412999      8.90230256    -14.44364982
  H     16.63689761      6.99588817    -10.45494322
  H     18.60963443      9.46183603    -12.28165749
  O     12.05580391      8.47465804    -11.27969681
  H     14.49976495     11.54891411    -13.16579685
  H     19.65726059      8.79380328    -13.20678473
  O     18.23338933      7.69142743     -9.89844158
  H     15.21191241     10.18801628    -13.27640687
  H     16.82004883     10.60865923     -8.39146027
  O     13.41357579      6.08102173    -12.13010329
  H     16.94241894      6.70852811    -18.43187268
  H     16.05089426      9.94463274     -9.55370376
  O     19.08395564     11.79565360    -14.25069254
  H     16.46203853      6.65186562    -16.96441216
  H     14.45545750      9.58396698    -17.47362341
  O     19.06604038      8.62796111    -12.46195440
  H     17.89447586      8.50802595    -17.02788407
  H     15.04098379      8.20553048    -17.82408866
  O     16.93550912     10.20581754     -9.24873046
  H     18.18866668     10.01460578    -16.79693874
  H     12.90095456     12.87546181    -14.89138490
  O     14.21102854      8.69740561    -17.76760211
  H     15.20062618      5.39901867    -15.34523553
  H     13.89183613     11.74684695    -15.25657817
  O     13.29260842     12.07073201    -14.56238244
  H     16.52910259      5.98281988    -14.82213613
  H     13.28288688      8.05840898    -16.36298631
  O     12.96042120      7.85042531    -15.47297558
  H     21.30285201      9.12503322    -15.15082820
  H     13.03500631      6.89952499    -15.32939777
          69
 Energy    -250.49024721234559     
  O     12.62494987     11.22559296    -13.76899366
  H     13.22757606     11.09328204    -14.51476059
  H     16.33467552      6.40890423    -16.34101489
  O     15.07484241      6.53642268    -17.73128660
  H     13.13551456     11.02058932    -12.97464954
  H     14.28068233      7.35083931     -9.97071956
  O     13.62343332      5.57357965    -12.42977734
  H     15.28059418      6.36788978    -18.64841674
  H     14.52572722      6.27509421    -11.04548095
  O     17.45869830      5.49189522    -10.33492904
  H     14.46255694      7.28834894    -17.71859714
  H     13.61225738      8.69302186    -12.98399945
  O     13.66106460      4.51954875    -16.17152339
  H     12.69533658      5.31951871    -12.37362475
  H     14.57257709      8.22126768    -14.08466302
  O     10.32967120      9.83041824    -13.69271512
  H     13.64370267      6.41976599    -12.90588329
  H     15.18452449     10.11709146    -15.39977190
  O     13.24402759      8.63777772    -17.63967490
  H     18.05846218      6.20870547    -10.57571187
  H     14.12147404     10.02134803    -16.50388214
  O     19.06176096      7.56974447    -11.52155319
  H     16.59425448      5.90036194    -10.19413683
  H     10.21527629      4.58943888    -12.31927634
  O     11.66778549      8.14559646    -15.47278040
  H     14.10692663      5.14040645    -16.75759660
  H     10.91333048      5.26465051    -13.52522418
  O     17.68321612      3.69740088    -12.36023228
  H     14.30249641      4.30306329    -15.48272030
  H     10.83874244      7.06389045    -11.93487700
  O     18.93132488      5.92293477    -13.67707264
  H      9.57950587     10.41812672    -13.68814263
  H     10.68283143      8.56758706    -12.29142646
  O     16.81481311      6.33425532    -15.50783892
  H     11.12748813     10.39230402    -13.72142090
  H     14.84656000      4.72108599    -13.42267197
  O     14.97260409      6.81639416    -10.37774537
  H     12.74843711      9.04906724    -18.34404496
  H     16.22767769      4.01292381    -13.47665478
  O     13.73069181      8.01311008    -13.65882973
  H     12.61220063      8.46348536    -16.92057014
  H     12.01549789      4.99184451    -15.56424713
  O     14.45058094     10.59771398    -15.80716375
  H     19.07240985      7.03180130    -12.33386826
  H     11.24386953      6.32038341    -15.41340946
  O     10.83897743      5.27107900    -12.55248750
  H     19.95731822      7.85894547    -11.37039088
  H     12.08853915      8.27249218    -10.32979094
  O     10.94722484      7.95933256    -11.59136862
  H     11.03714935      8.71607952    -15.01785942
  H     12.34332998      8.71785743     -8.86894330
  O     15.51916019      4.37064063    -14.02511563
  H     12.41458679      8.05578506    -14.85888565
  H     16.55620372      8.00498483    -14.86044181
  O     11.20348375      5.37876814    -15.20530681
  H     18.04811894      2.87583887    -12.04290335
  H     16.44201664      8.85757642    -13.55816628
  O     12.78476579      8.48660016     -9.68154497
  H     17.57520903      4.27620773    -11.58420666
  H     13.62282303      9.64777992    -10.88991616
  O     16.23414731      8.84360621    -14.50245409
  H     18.35030441      6.11202318    -14.42474089
  H     14.97248367      9.81628225    -11.63810962
  O     14.03622751     10.05394446    -11.66209671
  H     18.62203313      5.08493639    -13.31032203
  H     17.45982454      8.49203419    -11.59963525
  O     16.53716847      8.75300605    -11.71139852
  H     16.35268652      5.65995099    -14.98698204
  H     16.01006839      8.06172447    -11.28525572
          69
 Energy    -250.48990660751863     
  O     15.15189558     12.68291057    -11.54962656
  H     15.84779014     12.06523351    -11.29031105
  H     13.18930494      7.18217186    -14.75196289
  O     17.18065335      8.83441625     -7.45382397
  H     14.51490663     12.65058677    -10.82705741
  H     12.69905657     11.53084592    -10.28367261
  O     17.04282872      6.52082980    -12.06097755
  H     17.87949625      9.24703504     -7.97622872
  H     12.49246655     12.54263372     -9.13343525
  O     14.09901432      4.39326167    -11.83940758
  H     16.35542392      9.25585062     -7.72794665
  H     15.67071340     10.21223583    -15.80074884
  O     19.03536420      7.11852493    -10.14956608
  H     16.69207808      6.01603336    -12.80540565
  H     15.62553797      9.64146589    -14.36495597
  O     17.48709578      6.18060837     -7.91970985
  H     16.48444431      6.31084677    -11.29742806
  H     19.16898998      8.80000491     -9.70253076
  O     16.77567743     10.56658797    -10.61747285
  H     14.59178689      4.75502944    -11.09092395
  H     20.02749446     10.02314327     -9.29533787
  O     10.86778939      6.94298745    -10.03348062
  H     14.61220966      4.59684187    -12.63014426
  H     16.14407304      5.81852802     -9.13697175
  O     14.86594673      9.90986198     -8.66446739
  H     18.62582936      6.67571663     -9.39548277
  H     14.77287877      6.39707686     -9.58476300
  O     13.77780515      8.43029340    -11.95183494
  H     18.49543815      6.88690122    -10.91633192
  H     12.49352020     11.19340344    -12.49871977
  O     11.45615628      4.86456321    -11.92816327
  H     17.34064006      7.11319652     -7.67807914
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  O     14.07678432      7.19252257    -15.13540044
  H     17.73196790      5.72320831     -7.12005692
  H     11.65563741      6.30489704    -13.06013240
  O     13.14133147     11.97389701     -9.54041641
  H     16.11806938     10.30537371     -9.95733647
  H     11.14407735      7.75766561    -13.17392817
  O     15.07522688      9.88601144    -15.12956678
  H     17.64312238     10.38729291    -10.23439217
  H      9.24579493      9.30028508    -12.25593221
  O     19.12851756      9.71747774     -9.37703416
  H     11.01298776      6.16798073    -10.59157395
  H     10.72675663      9.61820198    -11.94929680
  O     15.49147531      5.80445641     -9.84768002
  H     10.50859077      7.61667320    -10.62222632
  H     15.91099912      4.65123279    -14.82210447
  O     12.16462510     10.65313280    -11.76308994
  H     14.34313903      9.10621985     -8.79961526
  H     15.09555723      5.92820800    -14.51196544
  O     11.80551787      7.14409085    -13.51693053
  H     14.27451610     10.65701786     -8.81705489
  H     14.01177481     11.28888607    -14.25724196
  O     10.08972041      8.89470325    -12.07400478
  H     13.25056235      7.90862255    -12.56945040
  H     14.18711737     12.27077298    -13.06933266
  O     15.63763428      5.22541752    -14.11153126
  H     14.63976991      8.60797343    -12.34480934
  H     13.63960605      7.90945980    -10.30302113
  O     13.54414708     11.92929323    -13.71034744
  H     10.98682886      4.04068528    -12.02620869
  H     12.53563595      7.37058695     -9.38321212
  O     13.46553999      7.63296441     -9.38786788
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  H     16.54118514      9.64869894    -12.12172937
  O     16.34829944      9.06255039    -12.86748331
  H     14.32932692      8.11811974    -15.23249813
  H     16.69344473      8.18817191    -12.64114602
          69
 Energy    -250.48933393828588     
  O     -5.68377256      1.97782988     -0.77314498
  H     -4.90528927      2.51673424     -0.57204967
  H      0.19993803      1.74345730      4.66311796
  O     -5.32230621      2.31140051     -3.58635898
  H     -6.11843390      1.81035167      0.07246533
  H     -0.01741244      4.14943097      1.40696146
  O     -6.55899144      1.36684287      1.84030268
  H     -5.63950864      2.26288864     -2.67401062
  H     -0.24932244      3.33245045      2.70924343
  O     -1.25679488     -2.11252704      1.27910428
  H     -5.19710630      1.39792205     -3.86734781
  H     -2.78549809      2.65217180      0.03936234
  O     -2.36114984     -0.97720040     -1.08340240
  H     -5.87885891      1.86422137      2.32886665
  H     -3.34155802      4.02669725      0.49637090
  O     -5.12106675     -0.69943514     -1.27866109
  H     -7.38794353      1.52810294      2.28329248
  H      0.67930537      0.28106792      2.58522119
  O     -2.04034538      0.58495490     -3.40871054
  H     -1.53438052     -1.86563949      0.38870082
  H      1.04001062      0.15363325      1.10408089
  O     -2.80239941      3.22444900     -2.91815366
  H     -0.48552777     -1.56890272      1.49708095
  H      1.69563362      4.81379673     -0.27914678
  O      0.90679985      1.39001944     -0.29517155
  H     -3.32853511     -0.99471741     -1.08782980
  H      0.54794561      4.15626545     -1.07826379
  O      0.64554589      1.03465859     -3.10164329
  H     -2.10587693     -0.51912252     -1.89380405
  H     -5.01164821     -1.15755698     -4.50759724
  O     -3.29460226     -1.84938638      3.00151209
  H     -5.29074791      0.24849956     -1.17579972
  H     -4.84997306     -0.68259058     -3.04601979
  O      0.00553442      1.73257916      3.72883778
  H     -5.33605790     -1.09149767     -0.41920494
  H     -2.26566336      0.95976839      2.16566645
  O     -0.54142173      4.10809534      2.21606385
  H     -2.83380871      0.16504626     -3.76281054
  H     -2.79205005     -0.09063368      3.18336434
  O     -3.34913217      3.39420681     -0.23008420
  H     -2.28424817      1.50198579     -3.21014212
  H     -5.90834829     -0.43184976      1.61174117
  O      0.85009430     -0.36902766      1.89471873
  H     -2.95863922      3.39282067     -1.97702858
  H     -4.82899319     -1.49728739      1.92866666
  O      0.96995926      4.19929758     -0.20157327
  H     -3.67337194      3.05822229     -3.30596347
  H     -2.07462250      0.44654340     -0.02224220
  O     -4.59866540     -0.49003638     -3.96579556
  H      1.07204865      2.33793648     -0.21203960
  H     -0.86092794      1.34857531      0.28621556
  O     -2.49413234      0.82368508      3.09873449
  H      0.88421612      1.19115227     -1.23951945
  H     -3.16823416      5.83970563      2.32897043
  O     -5.56002571     -1.28893677      1.33504561
  H     -0.27529995      0.79073449     -3.29393428
  H     -2.18038314      4.65497360      2.19899413
  O     -1.80657692      1.24619664      0.45000429
  H      1.18867029      0.58376842     -3.74335188
  H     -3.86358653      2.03832526      3.23669988
  O     -3.11695311      4.91206153      2.11613509
  H     -2.55564204     -2.02099676      2.38767132
  H     -4.16100288      3.49993046      2.85214907
  O     -4.58087488      2.67895277      3.13326657
  H     -3.31046694     -2.57296687      3.62179562
  H     -1.02102466      3.75325398     -2.85453945
  O     -0.07215367      3.80013178     -2.67481730
  H     -0.90335659      1.39809701      3.63685531
  H      0.28443827      2.94692263     -2.94851254
          69
 Energy    -250.48851335382170     
  O      2.78390525     -9.14204580     -2.75737178
  H      1.96270097     -8.77112563     -2.38738887
  H      5.26888904     -6.11239847      0.30331592
  O      6.49626498     -5.44531568      1.38162098
  H      2.52681245     -9.70509036     -3.48258176
  H      1.85415610     -8.99130340      6.23346449
  O      2.87216651     -5.25413600      3.29032151
  H      7.10170381     -6.09093083      1.76515828
  H      2.01758415     -8.47665525      7.68434077
  O      0.50543464     -7.95599196      1.10577780
  H      6.15460742     -4.93228473      2.12378100
  H     -0.03626432     -7.40396379      4.17411337
  O      5.43223208     -4.24238592      3.75201483
  H      2.58611408     -5.17891618      2.36937775
  H     -1.47970655     -7.92038039      3.96569919
  O      6.58924488     -6.38450451      4.92194102
  H      3.70933983     -4.78550323      3.40296815
  H      4.15040544     -8.06012551      4.04996857
  O      3.65665853     -6.38157182     -2.84392322
  H      0.01892084     -7.95540805      1.93906860
  H      3.52112599     -6.95127744      3.16433248
  O      4.45374508     -9.24677452     -0.48754194
  H      1.19076479     -8.63405042      1.19846400
  H      0.44015777     -9.47727968      4.52880725
  O      7.96831548     -7.53879531      2.69008030
  H      5.83489382     -4.98285876      4.24255265
  H      1.48290736    -10.62939717      4.54238664
  O      2.01904256     -5.63604952      0.67970960
  H      5.74537953     -3.43931014      4.15930528
  H      2.30823761    -12.52714994      3.01098063
  O      2.61217491     -9.66621239      1.53686632
  H      6.05114785     -7.09238278      5.30185140
  H      2.52426654    -11.04193892      2.63121039
  O      4.55220016     -6.51903094     -0.20433054
  H      7.15425756     -6.79957536      4.25881811
  H      4.30890544    -11.19756696      4.00093052
  O      2.32385332     -8.34429810      6.79091084
  H      4.13737478     -6.34801427     -2.00373282
  H      5.52691086    -10.45785796      3.41193753
  O     -0.57770075     -8.04979187      3.68379247
  H      3.46062888     -7.31468543     -2.98899736
  H      5.63000835     -9.41142346      1.03328764
  O      3.84277687     -7.85978788      3.15614067
  H      3.97548569     -9.36690553     -1.31670316
  H      5.26513792     -8.64291129      2.31760999
  O      1.01178172    -10.00138555      5.10265213
  H      4.54423000     -8.28586013     -0.37471114
  H      4.05356991     -8.45509697      6.17107181
  O      2.53666145    -11.67370721      3.37085316
  H      7.33900447     -8.21530760      2.38867552
  H      5.02048921     -9.36731051      5.33376617
  O      5.15907927    -10.80563066      4.23379664
  H      8.84141815     -7.90603601      2.57867266
  H      0.69111203     -6.97392433     -1.87960018
  O      5.94055291     -9.21958747      1.92591108
  H      1.75363646     -5.31292418     -0.19015270
  H      0.39962632     -7.99418395     -0.76521691
  O      4.87783537     -8.46839365      5.66792512
  H      1.47043282     -6.41294103      0.86177596
  H      1.55701592     -6.90699822      5.70699296
  O      0.58162247     -7.91789949     -1.71096954
  H      2.96691732     -9.02872610      2.17907964
  H      1.67600687     -5.90740578      4.52387237
  O      1.04469130     -6.39501137      5.07078003
  H      3.20155460     -9.63651791      0.77153385
  H      2.19489186     -5.52050469     -2.40292726
  O      1.36824466     -5.16789583     -2.02634349
  H      3.71460589     -6.21328421      0.16572589
  H      1.09461352     -4.44697871     -2.58637002
          69
 Ord_Energy   -250.488419    
 O    1.06916261       12.2488432      -10.7416019    
 H   0.161848679       12.0426207      -11.0011349    
 H    1.34378862       12.9918470      -11.2981339    
 O   -1.11006832       10.5337181      -7.44874334    
 H   -1.42131817       9.65747547      -7.19175816    
 H   -1.74840319       10.8634672      -8.09311485    
 O   -3.48694038       8.49131680      -9.38963127    
 H   -3.37830734       9.44741821      -9.45718384    
 H   -3.09401965       8.23592949      -8.54575729    
 O    4.19290733       9.01338482      -10.3500595    
 H    4.25357056       8.05481720      -10.4430389    
 H    4.08601618       9.17478561      -9.40481853    
 O   -1.23864663       9.06076336      -12.2529774    
 H   -1.90656304       8.36800289      -12.1980991    
 H  -0.672607720       8.95638657      -11.4696875    
 O    2.78419018       10.5077667      -12.1374073    
 H    2.19195652       11.0622530      -11.6125689    
 H    3.34029174       9.99918270      -11.5286627    
 O   -2.06171060       7.86214495      -7.01479959    
 H   -1.34073710       7.36238480      -7.43653584    
 H   -2.28695250       7.39835358      -6.21288252    
 O    1.73573530       6.81358814      -11.9221878    
 H   0.921549380       6.33216667      -11.7055902    
 H    1.57028031       7.36372757      -12.6962833    
 O   -4.90008593E-02   6.70390081      -8.41461563    
 H   0.861145914       6.53491163      -8.13037777    
 H    1.64147299E-02   7.44510269      -9.03586864    
 O    1.63278532       14.0379229      -12.7522173    
 H   0.808911502       13.8814812      -13.2305717    
 H    2.32000971       13.6000681      -13.2702436    
 O   0.963984549       11.3206520      -15.2309113    
 H    1.84479463       11.6685381      -15.0408411    
 H   0.967055261       10.4119778      -14.9047861    
 O   -3.01293683       7.00443363      -11.5945444    
 H   -3.82678890       6.63142824      -11.9216833    
 H   -3.23427701       7.50075197      -10.7852964    
 O    2.65334582       6.60294819      -7.94583988    
 H    3.13474870       6.35147429      -8.74361134    
 H    2.96694946       7.48816013      -7.72248793    
 O    1.41021454       10.7633066      -8.44840908    
 H    1.36426091       11.4289799      -9.14813232    
 H   0.546545744       10.7306957      -8.00735855    
 O    3.53714108       9.31829834      -7.59969854    
 H    3.98968744       9.73985004      -6.87389898    
 H    2.77917647       9.88590622      -7.82499409    
 O    1.12541842       8.90635681      -13.7278414    
 H   0.242852971       8.95585823      -13.3319798    
 H    1.71265221       9.45156670      -13.1807861    
 O    3.93674374       6.19183779      -10.4851780    
 H    3.16258025       6.33596611      -11.0586662    
 H    4.41802454       5.45558405      -10.8526020    
 O  -0.564352512       5.61941433      -11.0036087    
 H  -0.459813893       5.76312160      -10.0540619    
 H   -1.42203307       5.99551678      -11.2351856    
 O   -1.50998294       11.7302074      -11.7720699    
 H   -1.35467863       12.2549725      -12.5673780    
 H   -1.47487319       10.7965031      -12.0329027    
 O   0.513360381       8.74660587      -10.1938505    
 H    1.19130182       8.24098110      -10.6600237    
 H   0.933769345       9.41134739      -9.63615990    
 O  -0.752940118       13.0901899      -14.1016550    
 H   -1.23472238       13.5530052      -14.7820616    
 H  -0.191076487       12.4347324      -14.5534658    
 O    3.42168951       12.2638865      -14.1403923    
 H    4.34658194       12.2676849      -14.3720074    
 H    3.31381607       11.6110163      -13.4268322    
 O   -2.97165298       11.3140430      -9.48228645    
 H   -3.61969829       12.0033407      -9.35610485    
 H   -2.48794007       11.5342522      -10.2948980    
          69
 Energy    -250.48736303679195     
  O     14.12371420     12.78062311    -13.42456832
  H     13.64015377     12.38754924    -12.68889533
  H     12.22271906      8.19569784    -16.36486929
  O     14.28992994      7.02278673    -14.30114983
  H     13.70702205     12.44618513    -14.23186750
  H     17.89460974     10.44335084    -15.65510363
  O     18.19923152      8.07300235    -12.83192255
  H     15.12030485      6.53097946    -14.28926599
  H     17.13571422     11.66738144    -15.05497749
  O     19.02812014      9.01835797    -15.29950594
  H     14.53017203      7.94865358    -14.46679242
  H     15.75162618      9.97109201    -15.16287808
  O     11.09015353      9.50819540    -15.58536292
  H     17.60513735      8.80566256    -12.61218824
  H     14.25873412     10.19883660    -14.87215287
  O     15.90445138      7.31079903     -9.26336411
  H     18.35224004      7.58741044    -12.01155218
  H     12.29707924     11.82773730    -10.56964080
  O     13.16146614      7.33451987    -11.83591309
  H     18.83103202      8.66339263    -14.41723413
  H     13.35922233     10.76811864    -10.93594883
  O     16.43070220     10.14381430    -12.37492155
  H     19.96375712      8.89406394    -15.44086394
  H     16.61053714      4.97941371    -12.70458911
  O     15.03756889      8.27362514    -18.16342522
  H     10.15209251      9.54846923    -15.75146210
  H     17.21364981      5.23665800    -11.31364966
  O     14.27196472      5.22159307    -10.34290332
  H     11.20084593      9.43072037    -14.62017639
  H     11.94827466      8.59779512    -12.51056417
  O     17.24007429      7.16397066    -16.69757976
  H     15.44945031      8.11888187     -9.52987094
  H     11.84146931     10.13255202    -12.42362005
  O     12.88915295      7.56405193    -16.66012745
  H     15.30132479      6.58758484     -9.47822500
  H     17.31040460      6.68902927    -13.74161584
  O     17.15160032     11.04450307    -15.79356056
  H     13.39242232      6.56975463    -11.29587289
  H     16.99670037      6.22980776    -15.17986698
  O     15.00911810      9.63599698    -14.64319950
  H     13.53096098      7.16923655    -12.71760287
  H     18.90973712      6.43718757     -9.76782767
  O     12.74602028     11.42311825    -11.30835551
  H     15.83989493      9.91382722    -13.11079270
  H     17.45469412      6.92294793     -9.96864994
  O     16.52764304      4.73707066    -11.77246272
  H     16.71117977     11.04925045    -12.55242290
  H     15.82592019     11.21163000    -17.16060291
  O     11.52934605      9.36665336    -12.91860875
  H     14.92414972      7.91441675    -19.04035092
  H     15.00520664     10.14255521    -17.89877018
  O     16.86896370      5.99421935    -14.24864083
  H     14.24931189      8.01271266    -17.65488432
  H     14.03153056      8.69420712    -11.00892929
  O     18.25690665      6.62762975    -10.43614388
  H     15.03619590      4.97725516    -10.89593107
  H     15.23252828      9.68832485    -11.11642861
  O     14.99669303     11.07239531    -17.63639457
  H     13.92674974      4.41164974     -9.97745342
  H     17.17575599     13.55057788    -13.28801530
  O     14.48819208      9.42102803    -10.55687851
  H     17.83822727      7.86371383    -16.41410929
  H     15.84469730     12.78245644    -13.47478830
  O     16.81635775     12.69102775    -13.48802352
  H     16.52895327      7.58354172    -17.19745066
  H     12.36094425     10.87654258    -15.76166614
  O     13.12833655     11.44954643    -15.64868629
  H     13.27491066      7.18978692    -15.85619510
  H     13.67963623     11.38886683    -16.44485731
          69
 Ord_Energy   -250.487244    
 O   -9.27891636       3.07008553       2.75099659    
 H   -9.17674541       3.65327692       3.51203132    
 H   -8.38120556       2.90044045       2.42604685    
 O   -4.40303135      -1.41802406     -0.852579355    
 H   -5.37369728      -1.40449131     -0.761449397    
 H   -4.20260620      -1.99751794      -1.58216059    
 O   -8.65538502      -2.60361600       1.24283218    
 H   -8.27839851      -2.92022133       2.06967998    
 H   -9.36690521      -1.98488164       1.46750927    
 O   -8.18910408       1.15360069      -1.10469711    
 H   -7.52646399       1.85173810      -1.04303730    
 H   -8.96457386       1.46415925     -0.621905565    
 O   -6.68035269       2.61744523       1.95340884    
 H   -6.52422333       1.66074860       1.96889353    
 H   -6.46661234       2.91889358       1.06293797    
 O   -6.30693054      -8.03014636E-02   2.02128530    
 H   -6.66912699     -0.454917550       1.20696795    
 H   -5.41638517     -0.438190639       2.11295295    
 O   -8.60699368       4.41023779       5.17567444    
 H   -8.87747955       3.66228032       5.73869991    
 H   -8.88464069       5.20531845       5.62223768    
 O   -9.23492146       2.15193295       6.54154396    
 H   -9.73331738       1.64136720       5.88820553    
 H   -8.39902878       1.68246722       6.65182924    
 O   -3.96448374       1.39146245     -0.501681626    
 H   -3.44084477       1.41791534      0.308722049    
 H   -4.07821274      0.458171904     -0.718330204    
 O   -10.1675816      0.798479736       4.23927498    
 H   -9.39286137      0.214087874       4.24819899    
 H   -9.91479111       1.56621134       3.70876050    
 O   -3.64531755       1.74444282       4.28748798    
 H   -3.77590585      0.988286316       4.87235641    
 H   -4.37612391       2.35125208       4.45572948    
 O   -7.38858414      -3.39722586       3.77594018    
 H   -6.44761753      -3.16509271       3.87547898    
 H   -7.49780464      -4.26668262       4.15127420    
 O   -6.08686399       3.18719649       4.57969666    
 H   -6.82011986       3.75032568       4.85346651    
 H   -6.21674252       3.03495288       3.63081598    
 O   -7.04860067      -1.22527373     -0.425548553    
 H   -7.52521467     -0.448142648     -0.753748357    
 H   -7.66163254      -1.80222881       5.62455691E-02
 O   -7.85721397     -0.707727253       4.21790886    
 H   -7.84747696      -1.67225492       4.22720528    
 H   -7.35045958     -0.452545375       3.43287683    
 O   -10.5576162     -0.627482235       1.77730250    
 H   -10.6256170     -0.267022163       2.66918302    
 H   -10.5546846      0.144719243       1.20124304    
 O   -4.30402565     -0.445882320       6.02471352    
 H   -5.15736198      -6.49861991E-03   6.17999792    
 H   -3.90974498     -0.588047981       6.88216400    
 O   -2.46463513       1.22502434       1.92159593    
 H   -2.88393235       1.47884870       2.76330781    
 H   -1.54555273       1.47018564       1.98998284    
 O   -4.81815624      -2.55237341       4.11562824    
 H   -4.63369370      -1.89834607       4.79974937    
 H   -4.35308123      -2.24320459       3.32640409    
 O   -6.06861877       3.06321788     -0.726282477    
 H   -5.29099751       2.47590303     -0.696098387    
 H   -5.84621477       3.78487158      -1.30773568    
 O   -3.74067926      -1.28085744       1.87431777    
 H   -3.18152380     -0.494699687       1.91969967    
 H   -3.89033556      -1.46214676      0.936680973    
 O   -6.68721294      0.895299792       6.10631657    
 H   -7.12517691      0.288293451       5.48839426    
 H   -6.47140837       1.69461322       5.60480118    
 O   -10.4166651       1.97605062      0.473599434    
 H   -10.1021509       2.44276690       1.26417530    
 H   -11.2277851       2.40408087      0.208712116    
          69
 Energy    -250.48683172213629     
  O     10.15277226      6.82922790    -11.97175768
  H     10.61473096      7.66459563    -11.82422255
  H     14.96652408      4.43146943    -11.32569871
  O     17.05809833      8.13373801    -12.27920509
  H     10.35954564      6.58606739    -12.88198379
  H     15.80294792      6.45235901    -14.80472699
  O     16.32578403      4.86161832    -15.37658303
  H     17.10806590      9.08031768    -12.46466916
  H     16.10092221      7.55335611    -13.71774039
  O     16.99384040      5.51421989     -9.25145790
  H     16.57353659      8.03991422    -11.44736670
  H     14.69571973      6.19012685    -13.06273681
  O     12.96444418     11.42942272    -11.13687219
  H     15.67651004      4.14927095    -15.36502803
  H     13.58941107      5.11621729    -12.87531917
  O     10.95197721      5.26299687     -9.88761713
  H     17.08279421      4.53067451    -14.87581477
  H     15.92310354     10.90786105    -13.15065671
  O     12.98081717      8.43836652    -14.23291545
  H     16.58980082      6.39275469     -9.35138678
  H     17.32915416     11.55415032    -13.15301510
  O     14.52313146      2.62395467    -14.96434446
  H     17.39502329      5.49778351     -8.38590974
  H     13.57227324      6.46037782    -10.98540802
  O     15.54207672     10.62471733    -10.16165444
  H     12.54402585     10.55902842    -11.25014162
  H     12.50270729      6.34036722     -9.87320222
  O     18.37381675      3.82957667    -13.68793786
  H     12.28274577     12.02988428    -10.84734475
  H     18.00218452      5.55119162    -10.88755679
  O     16.17254495      2.24781832    -12.86270387
  H     10.24434030      5.15939362     -9.25695087
  H     18.05680731      6.59117697    -12.02079123
  O     15.22352651      3.75612597    -10.67821551
  H     10.58820985      5.76757496    -10.63723655
  H     14.83889751      7.59000274     -9.80719102
  O     15.43982842      7.22213460    -14.34061352
  H     12.33892861      7.75881729    -14.46946800
  H     15.70446488      8.88397953     -9.76046441
  O     14.22530543      5.66815653    -12.40277555
  H     13.85676307      8.03750005    -14.34735216
  H     13.77832250     10.18948539    -14.00001176
  O     16.80632527     10.87174517    -12.74136882
  H     14.52908695      1.85004180    -15.52129925
  H     13.76403225     11.24343930    -12.87073745
  O     13.22991649      6.89104140    -10.18429073
  H     15.08582028      2.41922939    -14.19461251
  H     13.34155028      3.22089115    -10.81744631
  O     18.37045578      5.71401026    -11.76336668
  H     14.65927004     10.95315834    -10.37202655
  H     11.91885056      3.80210785    -10.63589995
  O     15.74930454      7.91640818     -9.76951334
  H     16.07650051     10.81683845    -10.94187002
  H     12.47993133      8.27949769    -11.06776091
  O     14.24856046     10.95850112    -13.65616653
  H     18.40620051      4.50468731    -12.98638707
  H     12.39590757      8.76959828    -12.54290615
  O     12.43485690      3.16377641    -11.14432002
  H     19.27714620      3.60680863    -13.89531661
  H     11.57420393      5.41249989    -14.35339552
  O     12.05222432      8.92361372    -11.65000343
  H     16.99123507      2.70134787    -13.10258019
  H     10.61472156      6.06686882    -15.37228628
  O     11.14210842      6.24878464    -14.59801638
  H     15.88497019      2.63805040    -12.02714082
  H     13.09018772      3.48125232    -14.23759963
  O     12.43348053      3.99423780    -13.74775453
  H     15.81347868      4.20687027    -10.06482650
  H     12.32346383      3.58284911    -12.87564720
          69
 Energy    -250.48679770869009     
  O      8.21869854     -8.53330787     -4.74905964
  H      8.83820199     -9.26449905     -4.84280429
  H      4.44228675    -11.93776803     -3.37136026
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  H     10.95365250    -10.80781585     -5.03823969
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  H      6.67450898     -9.62910125      1.52337566
  H      8.33465862     -7.61113841     -1.94739120
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  H      9.63615810     -6.79066198     -1.71742866
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  H      3.92411586     -6.93742722     -2.68876335
  O     10.12142904    -10.74943134     -4.57628476
  H      7.47540478    -11.65191701     -3.42449373
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  H      8.58091604    -11.77645427     -4.49027459
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  H      6.09025466    -11.94361546     -4.93014667
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  H     10.70404138     -5.13161409     -0.05143531
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  H      7.56815715    -13.77108758     -3.22598466
  H      4.51972098    -10.25762845      0.79383011
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  H      4.58355126    -15.33114133     -1.36521429
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  H      5.81084544    -14.50109089     -1.81210393
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  H      3.72854874    -10.61965455     -1.29424037
  O      3.67797452     -9.87427659     -0.67953503
  H      4.40026213    -12.86013660     -2.10969290
  H      3.81771359     -9.08565582     -1.21667029
          69
 Energy    -250.48455290156426     
  O      8.39723250     -3.94979903      1.26340751
  H      7.54927112     -4.05410307      0.81688847
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  H      7.70422975      1.83355742      5.56011845
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  H      4.15495581     -1.40105260      0.27160945
  H      8.01526946      0.60204022      4.68964288
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  H      5.64000112     -1.07960927      0.01777186
  H      5.61924822     -5.18320252      5.22127592
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  H      6.69830064     -5.60186058      4.20083456
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  H      7.82402710     -0.48492969      1.12454667
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  H     12.10284857     -1.84211696      2.43061173
  H      8.17044956     -4.14487989      4.39186701
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  H      8.66927124     -1.44519086      4.74443164
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  H      6.92810880     -2.39573440      4.47111597
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  H      2.98092731     -2.48008624      5.04151375
  O      4.70154625      0.09911348      4.89412646
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  H     11.58376033     -3.61096996      1.17498089
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  H      3.05284448      0.01624205      1.92323547
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  H      2.57930554     -1.43807598      2.14295139
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  H      5.31666991     -1.21090327      3.72105799
          69
 Energy    -250.48420144569377     
  O     -5.89380225      0.74788188      0.96707256
  H     -5.48956259      1.48099020      0.47795396
  H     -0.57603942      2.25148618      3.27247156
  O     -6.28630860      0.42154982     -3.26993176
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  H     -2.22762663      5.31898623     -0.14319208
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  H     -6.82332540      0.22141765     -2.49435938
  H     -1.32383117      6.33502114     -0.88092330
  O      0.59399363     -0.92998763      0.94880801
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  H     -4.43528442      2.53545865     -1.28323996
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  H      0.77177381      1.17873745     -1.63801464
  O     -4.09249791     -1.38103190      1.12721474
  H      1.35142005     -1.50475299      1.01150891
  H      0.88174776      1.96487873     -0.31324986
  O     -2.25284307     -0.19723629     -3.00669267
  H      0.83996867     -0.20361958      0.34482546
  H     -0.33756388      4.16211949      0.07127620
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  H     -5.18434612     -2.32019280     -1.79867307
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  H     -5.07603541     -2.26958925     -0.25066500
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  H     -4.31576243     -2.37074166     -4.23581099
  H     -2.40371512     -0.51099133      3.53114101
  O     -1.46239235      5.40228244     -0.74031371
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  H     -3.04191399     -1.42527416      4.60597393
  O     -4.48558165      2.69490802     -0.33206874
  H     -4.69506311     -0.62623732      1.04416539
  H     -1.95678436      0.81985029      0.04112115
  O      1.08073644      1.11238887     -0.72733718
  H     -1.45478374      0.28604725     -3.25150689
  H     -1.36412731      2.22948507      0.38774386
  O      0.07459146      3.38887317      0.47544344
  H     -2.09989945     -0.54044270     -2.11199173
  H     -4.06452950      4.31099987      0.43621981
  O     -5.68089862     -2.45175555     -0.98109203
  H     -4.92117335      1.60827307     -3.16832201
  H     -3.47351924      4.69920508      1.80378165
  O     -3.22442638     -0.96451960      3.79147053
  H     -3.43017857      1.27770867     -2.97041371
  H     -6.99068678     -1.28707829     -0.91081425
  O     -2.12291122      1.64435187      0.51503569
  H     -0.56298825      2.27030059     -3.19423552
  H     -8.48321623     -0.88331796     -0.82874856
  O     -3.57054219      5.00583425      0.89444089
  H      0.52265403      1.65919887     -4.11129680
  H     -3.80165107      3.03267209      3.45534932
  O     -7.59989398     -0.52733340     -0.87505571
  H     -0.41060784     -0.08784309      2.30712060
  H     -3.65139204      4.33995228      4.26082598
  O     -3.31121097      3.87184835      3.50196532
  H     -1.57148224      0.90781344      2.11620761
  H     -2.58927059      3.21855529     -2.97751832
  O     -1.68299637      3.54591149     -2.90865221
  H     -1.47191900      3.49844321      3.30470924
  H     -1.66613014      4.20459078     -2.20515072
          69
 Energy    -250.48337046534868     
  O     17.23691246     10.68263601    -16.32505249
  H     16.99454653     10.15448193    -17.08167153
  H     16.62931017     13.88928685    -15.97924370
  O     17.87347029     15.10961864    -16.50530898
  H     18.10913989     11.06603327    -16.51673116
  H     18.88439646     11.64316874     -9.99593835
  O     21.66241173     10.66141896    -15.07671214
  H     18.66041766     14.92408481    -17.02832762
  H     17.91272231     11.67831107     -8.79292170
  O     19.03257972     14.59788238    -10.39240282
  H     18.15534171     15.74673426    -15.83634898
  H     20.00023337     19.39829214    -12.41503588
  O     15.13316881     13.65118586    -13.12865972
  H     21.34076597     10.08135149    -14.37642574
  H     20.18057687     18.00930539    -11.75721062
  O     20.40002676     11.10354332    -10.64861090
  H     21.92267530     11.47823813    -14.62479136
  H     22.21024684     14.38369256    -10.86492645
  O     16.34116559     11.39489336    -11.85491491
  H     18.65850364     13.80393194     -9.99229998
  H     20.71563136     13.98639109    -10.82870839
  O     19.67169708     11.95910438    -16.41864059
  H     18.52002330     14.75077945    -11.20020736
  H     17.60260680     10.22114911    -14.51025223
  O     21.32297388     15.38460883    -15.17092066
  H     15.39691570     13.48775248    -14.05401681
  H     17.30996054     10.49986568    -12.99240636
  O     20.41398905     17.04935181    -10.31604434
  H     14.22422982     13.93641840    -13.14743515
  H     20.74653564     14.20306645    -18.53199398
  O     21.84362963     13.07739851    -13.70564285
  H     20.53513467     10.50565817    -11.39219252
  H     20.20297879     13.41029806    -17.32047443
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  H     20.98994694     11.85840799    -10.77074708
  H     21.82350309     17.66884586    -13.12992670
  O     18.06438665     12.04849345     -9.65885805
  H     15.87570193     12.16465549    -12.20413253
  H     22.30825055     16.50614888    -14.01441884
  O     20.15666563     18.47850692    -12.61070811
  H     16.84242091     11.68740844    -11.08377863
  H     18.44646411     16.04388558    -13.73640968
  O     21.60302463     13.64919307    -11.01911148
  H     19.34380622     12.41937814    -15.63091765
  H     19.29003962     17.34323493    -13.80979516
  O     17.96842800     10.16050251    -13.62053516
  H     20.40314124     11.40454359    -16.10476618
  H     22.96523763     16.38112186    -11.71969183
  O     20.42322997     14.30147028    -17.64021968
  H     20.49341758     15.78384225    -14.86797851
  H     23.92024238     16.29418002    -10.50497324
  O     22.56736315     17.07043570    -13.27483431
  H     21.16490350     15.09217027    -16.07574348
  H     19.52213314      9.50190688    -13.13740890
  O     18.95935704     16.60591635    -14.33668712
  H     21.32963513     16.74457924    -10.32037795
  H     20.44870879      8.34783134    -12.68916834
  O     23.06022674     16.02680637    -10.81698786
  H     19.86967072     16.25783818    -10.20910904
  H     20.03510229     12.77761522    -13.69038413
  O     20.43350643      9.28390419    -12.87419790
  H     21.87074049     13.29627056    -12.76448568
  H     18.75292727     11.87493210    -13.62905985
  O     19.07707902     12.76351995    -13.82028931
  H     21.75766345     13.90387793    -14.20132872
  H     16.71255468     14.55809840    -12.79934592
  O     17.64457713     14.79908537    -12.75182824
  H     16.33955013     12.36539973    -15.91368346
  H     18.13676376     14.07037259    -13.16691482
          69
 Energy    -250.48242196335693     
  O     -2.04406231      3.96333566      4.56562598
  H     -1.07135242      3.91242258      4.61437555
  H     -3.11456685     -3.23378913      2.77311215
  O     -1.73621722      3.32162435      1.79836538
  H     -2.30513900      4.74133070      5.05035664
  H     -1.46700590     -0.14103506      1.83457142
  O      1.31171071     -3.40243424      1.16397467
  H     -1.95975991      3.67845207      2.66574442
  H     -0.59725702     -1.38591500      2.22081291
  O      1.90845524      0.24137073     -1.19745683
  H     -0.77337720      3.21388290      1.78840069
  H     -3.91790737     -0.01500471      1.03713471
  O     -0.53734288     -1.07731955     -1.09679923
  H      0.85395548     -3.30132935      2.00938453
  H     -5.27722660     -0.36546875      0.39099911
  O     -2.93242279      0.87016269      2.21413110
  H      0.62242965     -3.61769081      0.52488990
  H     -2.26925548      2.09538916      4.88110689
  O     -2.69425241      0.37873362     -1.84561254
  H      2.42761354     -0.28352274     -0.57867981
  H     -1.18249429      1.00027255      4.84413803
  O      1.26536699      2.87004210     -1.04139621
  H      1.07948760     -0.24356540     -1.31729176
  H      0.05165913     -2.48425775      4.27155779
  O      3.14648582     -1.41152882      0.81543323
  H     -0.54588495     -0.89528811     -0.14481142
  H     -1.16153737     -3.09830488      3.53274434
  O     -2.44213672     -1.47898617      5.84218244
  H     -1.27659673     -0.58505818     -1.48485973
  H     -0.98968530     -4.23903849     -1.41269540
  O     -3.16007217     -3.03872358      1.07141789
  H     -2.57924269      1.72428630      1.92515968
  H     -0.77497867     -2.78822336     -0.92036778
  O     -2.98741390     -3.35116850      3.73209211
  H     -2.79818712      0.84641042      3.17073699
  H      0.75480251      2.65154634      4.82177701
  O     -0.65459508     -0.62061627      1.63345939
  H     -3.34607207      0.10820921     -1.18959731
  H      0.90812225      3.55568630      3.58362637
  O     -4.34183031     -0.54939322      0.34442040
  H     -2.39922526      1.26919763     -1.59863983
  H      0.86972276      0.10937731      2.08148028
  O     -2.14126949      1.13933044      4.85125814
  H      1.53021877      1.93576261     -1.11712424
  H      2.38589034     -0.13079243      1.96608742
  O     -0.25959763     -2.77525942      3.40617107
  H      1.73003110      3.34241734     -1.72707470
  H     -0.73178367     -1.72492110      6.07910944
  O     -0.92570435     -3.70441428     -0.62532494
  H      4.01569752     -1.80129817      0.77610796
  H      0.51814681     -2.24782225      6.83295551
  O      0.63199050      3.55806948      4.50983436
  H      2.51600332     -2.14771012      0.90916656
  H      1.11254403      0.59548808      4.09941449
  O      1.73022709      0.41901809      2.40879588
  H     -2.52483763     -0.55961920      5.55425643
  H      0.64635061     -0.09045629      5.41040580
  O      0.23806409     -1.81421301      6.03167273
  H     -2.76575539     -2.03391505      5.12169810
  H     -1.79820883      3.11637845     -0.10167915
  O      0.64673837      0.74855300      4.93459143
  H     -2.44197126     -3.29301460      0.48040114
  H     -0.66745203      2.83415712     -1.10131563
  O     -1.62540146      2.79377936     -0.99395927
  H     -3.56045351     -2.23768012      0.71170964
  H      1.37940762      2.14864267      1.97338345
  O      1.05375693      3.03130738      1.74597154
  H     -3.43419112     -4.16097840      3.96581945
  H      1.19317474      3.12337060      0.79464786
          69
 Energy    -250.48081293964884     
  O     11.75290292      6.35231968    -14.61181290
  H     11.90906106      6.97076671    -13.87660936
  H     16.22020723      5.43079101    -13.37772163
  O     16.66854263      6.20789067    -11.82074744
  H     10.81813365      6.37720632    -14.79834857
  H     19.74068484      9.58962419    -12.04959389
  O     16.95490742     10.52856882    -10.93206894
  H     16.55419093      7.10765213    -12.16773504
  H     19.60113236      8.35828876    -12.95442670
  O     18.04038423      9.80125103    -16.68609732
  H     17.41779699      6.25683980    -11.21707487
  H     17.78232521     11.05334078    -15.28192642
  O     13.37501173      4.38728903    -13.23007435
  H     17.76561907     10.96808195    -11.21107460
  H     16.74105139     11.76877389    -14.39733203
  O     12.61351043      9.78050225    -10.56922326
  H     16.77281104      9.86696003    -11.61786826
  H     15.72682213      8.89495356    -13.47101222
  O     13.99569480      6.10486307    -11.03592465
  H     18.49978467     10.07384041    -17.47659424
  H     17.25513057      8.55731309    -13.54692142
  O     14.86259888     11.88507783    -14.30173864
  H     17.42866010      9.09240722    -16.95265438
  H     16.78161640      9.31553074     -9.57507258
  O     17.96752161      5.61717205    -15.82126680
  H     12.70814822      4.89203462    -13.70990050
  H     17.40287339      7.93810183     -9.30496595
  O     14.04271620      7.89731073     -8.86960432
  H     13.47206544      4.82545225    -12.37325197
  H     18.72295261     11.51170944    -13.08635466
  O     18.72565877      8.05564528    -14.57902266
  H     13.20525399     10.50606304    -10.81937351
  H     19.80120443     12.21074955    -12.22641310
  O     15.83708202      5.09934135    -14.20313285
  H     13.08421306      9.25265523     -9.91389521
  H     19.54052112      6.53979223     -9.70815508
  O     19.84500600      8.63053113    -12.05984696
  H     14.94175255      6.07035544    -11.23558034
  H     19.21485072      7.56476017    -10.81765319
  O     17.68655960     11.59753155    -14.49181495
  H     13.91574253      6.62446474    -10.22517841
  H     14.54533195     11.88595192    -12.36667879
  O     16.50591873      8.67275512    -12.94786586
  H     14.56262199     10.96540207    -14.39821820
  H     15.32108503     11.38246066    -11.14403752
  O     16.67664586      8.51405227     -9.04284342
  H     14.28299303     12.41975432    -14.83928416
  H     13.35371751      6.64083172    -15.58175061
  O     19.25692789     11.42966177    -12.27550623
  H     18.44848983      4.83114713    -16.06702030
  H     14.82091202      6.28433595    -15.25266687
  O     18.81781548      6.94526556    -10.17940673
  H     17.21535714      5.32623207    -15.27726505
  H     12.40936184      8.66203298    -11.89395142
  O     14.44711841     11.67983406    -11.43142351
  H     14.99124251      8.11641908     -8.89824377
  H     13.06877128      7.28003983    -12.08996383
  O     14.26837173      6.85548611    -15.80470025
  H     13.80846150      7.82356596     -7.94804084
  H     14.25625004      8.51097111    -15.01542601
  O     12.54929988      7.95731646    -12.54515201
  H     18.64789579      8.69234939    -15.30083232
  H     13.58333040      8.91240504    -13.68720935
  O     14.18224429      9.23226885    -14.37770870
  H     18.55763763      7.18391821    -14.95814027
  H     15.64441033      7.42511696    -16.95789942
  O     16.53267051      7.62132518    -17.28194433
  H     15.00528158      4.67129716    -13.95321256
  H     17.07936511      6.89325612    -16.96028418
          69
 Energy    -250.47936912575554     
  O     14.83900414     10.60996294    -15.75589017
  H     14.58362692     11.51404573    -15.91992418
  H     17.26124115      4.54700864    -17.17719264
  O     14.28532370      4.95213113    -16.98329422
  H     15.49139133     10.63287388    -15.03433047
  H     21.29644292      5.17787256    -15.28173087
  O     17.21264278      6.30323706    -11.52500766
  H     15.11498435      4.86780780    -17.46498527
  H     20.43324841      6.35180174    -15.79754405
  O     20.23733885      7.76608543    -16.92575097
  H     13.84477054      5.74166164    -17.32226434
  H     16.25466489      7.56571215    -15.99795741
  O     17.98802364      7.27269650    -18.33405728
  H     16.63220030      7.00387183    -11.85699976
  H     16.99363807      6.35304488    -15.34451202
  O     12.69383710      5.80639152    -10.56020829
  H     18.10557859      6.51977802    -11.82767742
  H     12.76526725      8.16632833    -14.54201416
  O     14.05302967      4.79100752    -14.26239787
  H     20.85095646      8.22047050    -17.49684216
  H     13.41653627      9.32838081    -15.34805102
  O     15.57825002      8.11529003    -12.80977916
  H     19.43644513      7.59706104    -17.45543726
  H     15.23379091      1.59389871    -10.97327523
  O     17.81805757      4.66321064    -15.51849655
  H     17.65580165      6.36803743    -18.38469546
  H     14.35531555      2.71466203    -11.58072318
  O     12.85091783      3.40558125    -12.14972199
  H     17.21500709      7.82436236    -18.15224670
  H     12.88740051      7.80684925    -16.89873012
  O     18.80368534      8.94444022    -14.71739964
  H     12.21787014      6.00835771     -9.75923593
  H     12.33646606      7.52630144    -18.31897960
  O     16.92898235      4.64056752    -18.08762637
  H     13.60882871      5.60117357    -10.29642039
  H     19.94813044      6.41145560    -13.44857687
  O     20.44244406      5.59403046    -15.19049067
  H     14.10500573      4.79415559    -15.22881078
  H     19.37045622      7.80946857    -13.27672891
  O     16.65272295      7.23911298    -15.18125450
  H     14.93764124      4.60937965    -13.92223778
  H     16.82607969      4.88986118    -12.58250658
  O     12.75272130      8.63011425    -15.38941697
  H     15.92173919      7.78305756    -13.65482825
  H     16.23348884      3.45512683    -12.55590213
  O     15.25818437      2.49274565    -11.28862974
  H     14.65055524      7.85060251    -12.78084686
  H     15.32528225      4.14157754    -10.25231155
  O     13.09631669      7.39645494    -17.75867407
  H     17.43423324      4.34948498    -14.68640457
  H     15.99251998      5.52722350    -10.34076999
  O     19.57158920      7.00101369    -12.78716389
  H     18.74182037      4.89406117    -15.35868663
  H     15.43321967      9.32771203    -16.96227183
  O     16.58016842      4.13843338    -13.14240073
  H     13.11933777      3.79481836    -12.99469297
  H     14.79894178      8.13103670    -17.71116994
  O     15.24299576      5.05509040     -9.95368651
  H     12.61628018      4.15289681    -11.58610177
  H     12.78341674      6.74315745    -12.18724202
  O     15.64412759      8.53012779    -17.46636248
  H     18.04262233      8.36131807    -14.86801313
  H     13.36462448      6.28528454    -13.54456098
  O     13.03055574      7.05975209    -13.06428446
  H     19.39996994      8.76584440    -15.45130123
  H     17.51795719     10.18781016    -14.03212229
  O     16.65381801     10.51238066    -13.74841710
  H     17.11456371      3.81812700    -18.53440837
  H     16.26455183      9.79624135    -13.22552402
          69
 Energy    -250.47815794951316     
  O     15.73658568      8.65714643    -15.89437495
  H     16.14175484      7.80355433    -15.66688354
  H     19.31429828      6.92423855    -17.56486610
  O     14.25129558      4.88745969    -17.67240539
  H     16.07977337      9.28239629    -15.24595952
  H     17.53633366      6.32320913    -14.43837712
  O     18.10912144      6.19779435    -12.70603283
  H     13.46234691      4.55067697    -18.08817441
  H     17.92360801      6.72521015    -15.88965177
  O     19.27328976      5.17239069    -18.20138318
  H     13.96607748      5.58036062    -17.04998651
  H     14.15203580      7.61829929    -16.00019886
  O     12.58687706      6.00922246    -10.69017786
  H     17.91356562      5.29780788    -12.41092956
  H     13.54548668      6.68577437    -14.95397388
  O     14.83797460      3.92648275    -13.30146373
  H     19.05748362      6.27526877    -12.86627751
  H     16.42435866      4.11531061     -8.48589314
  O     16.11126392      7.97665608    -12.18906634
  H     19.68439373      4.72336676    -18.93550684
  H     15.89156122      5.15624873     -9.49807406
  O     18.38958842      2.89476142    -14.45366182
  H     18.33368340      5.27819376    -18.43335117
  H     15.43098086      4.01557716    -16.48137351
  O     13.71257485      3.53617110    -10.74906254
  H     11.70370674      6.02055013    -10.33249477
  H     16.49855401      4.76153122    -15.66473014
  O     19.47117669      8.90358666    -14.63434160
  H     12.88826927      5.08269984    -10.67167831
  H     21.59394832      6.38621214    -13.25412088
  O     20.18543641      4.71027219    -15.49911585
  H     14.52007529      4.83979252    -13.26975067
  H     20.58663320      5.89036084    -14.31950242
  O     19.04592983      7.74345964    -17.12892193
  H     15.17778587      3.78747344    -14.19487207
  H     16.40058574      3.73650465    -12.41526021
  O     17.20131940      6.39557560    -15.34214062
  H     16.84831290      7.35499709    -12.29897861
  H     17.02154776      3.77736256    -11.00465222
  O     13.57971339      6.84684951    -15.90653928
  H     16.36979075      8.77606553    -12.65992199
  H     15.55825472      7.29117004    -10.52072547
  O     16.16537072      4.22705803     -9.39651611
  H     18.11664943      2.99726369    -13.53431936
  H     14.27528685      6.62521854     -9.98937560
  O     16.08024935      3.89366340    -15.77997063
  H     17.59696803      3.05123727    -14.98407834
  H     16.61645766      6.73717723    -18.83165765
  O     20.71974605      6.53785092    -13.60167049
  H     14.51147289      3.60578834    -10.21178185
  H     15.85527355      5.43577099    -18.51160778
  O     17.24502306      3.69820401    -11.93997696
  H     14.01808606      3.46716298    -11.66439668
  H     14.64001809      7.09370266    -12.85777447
  O     15.21298115      6.75145975     -9.79789808
  H     19.41474192      8.61798331    -15.55718993
  H     13.31808336      6.45298654    -12.35725890
  O     16.69099585      5.77548801    -18.85354101
  H     19.96959969      8.20864958    -14.18924833
  H     17.98563203      9.65248595    -14.10252249
  O     13.88790271      6.54957815    -13.13057022
  H     19.62192971      4.01869831    -15.11882959
  H     17.29228264     10.95400877    -13.63797662
  O     17.12498510     10.04297155    -13.86374525
  H     19.92333566      4.79153961    -16.42134094
  H     16.41194351      9.35356070    -18.99045688
  O     16.69612548      8.61892904    -18.45324115
  H     18.34596923      8.12910956    -17.67109528
  H     16.27499501      8.72405223    -17.58288239
          69
 Energy    -250.47793576062816     
  O     13.40911480     12.86321627    -15.47435900
  H     13.08339032     12.39974486    -14.68484821
  H     18.01538931     11.94650135    -15.77629962
  O     18.90071118      7.22719572    -10.37533683
  H     12.70954528     13.44680712    -15.75759695
  H     12.82488263      8.57419151    -15.52669016
  O     17.21227346     10.85209773    -11.22581932
  H     18.62920973      6.46928317    -10.90710862
  H     12.90041778      7.88455873    -16.91106729
  O     12.02362819      8.82084959    -14.01640408
  H     18.08143857      7.67312941    -10.12203773
  H     15.95480505     10.59028130    -12.53606257
  O     15.59688703      6.71096046    -12.33862989
  H     17.03796528     10.00633085    -10.79146215
  H     15.62626073     11.51078888    -13.71403585
  O     12.97163548      7.36899755    -11.76226829
  H     17.91829016     10.71808387    -11.87324528
  H     14.29127784     10.04946635    -16.79672092
  O     18.01384332      5.29780523    -12.33308591
  H     12.12021740      9.73955044    -13.73214857
  H     14.31871448     11.56605717    -16.51336014
  O     18.19210798      8.72766145    -15.37104781
  H     12.28904558      8.28166552    -13.26086489
  H     13.40253495      8.87032172    -10.56123422
  O     16.36785551      8.41675218    -10.21643276
  H     15.62112047      7.19378530    -13.17896341
  H     13.54755749     10.35178911    -10.12791324
  O     17.51477692     10.76866566    -17.18538677
  H     16.35848774      6.11802551    -12.33272848
  H     21.56801832      8.57671299    -11.47402048
  O     19.61780577      6.79761953    -13.91931114
  H     12.52205770      6.65654364    -11.31261176
  H     20.10461091      8.10880330    -11.29124319
  O     18.15898452     12.47533419    -14.98189680
  H     13.87360631      7.05568054    -11.93996637
  H     15.10743053     13.40610131    -14.62224803
  O     13.38123487      8.45520316    -16.31811064
  H     18.58013200      5.78436972    -12.95952620
  H     16.65209260     13.19328598    -14.38912983
  O     15.45479612     10.62744424    -13.36187541
  H     18.26589815      4.38018934    -12.39108238
  H     15.62794864     13.36259870    -12.07914694
  O     14.80805143     10.85186921    -16.93838760
  H     17.29453984      8.44964299    -15.13647350
  H     16.20577568     12.41533225    -11.01387823
  O     13.84707013      9.45572609     -9.93707904
  H     18.08845755      9.36875098    -16.08459457
  H     13.96675848     12.54876696    -10.72233221
  O     20.72374422      8.53033703    -11.91413229
  H     15.52782933      8.81021161     -9.93645171
  H     12.67911227     12.70948867     -9.87935717
  O     15.79914278     13.35629524    -13.95506123
  H     16.14586504      7.82977338    -10.95168950
  H     18.74454782      9.80242182    -13.96088853
  O     15.54355164     13.10700629    -11.15057092
  H     16.54388330     10.79780952    -17.11621985
  H     19.74967450      9.85574442    -12.79037136
  O     13.08407228     12.16991804    -10.55259054
  H     17.73043913     10.95286477    -18.09583382
  H     13.70787384     11.01530343    -13.23566376
  O     19.07709586     10.37163912    -13.25277162
  H     19.19902274      7.39990029    -14.54885992
  H     12.70301554     11.72210656    -12.31216584
  O     12.80893213     11.38087639    -13.20877528
  H     20.13577857      7.35350036    -13.32402068
  H     15.53425610      9.10103191    -14.20867031
  O     15.59609477      8.22244904    -14.61915843
  H     18.59354445     11.89297312    -14.34609711
  H     14.88425399      8.16644124    -15.26637656
          69
 Energy    -250.47764030154474     
  O     18.82344883      5.16182289    -10.83393814
  H     19.22685456      5.98253759    -10.52785261
  H     12.93645881      8.02114472    -11.51302418
  O     16.98238418      7.97111305    -16.04865671
  H     17.97690428      5.11022161    -10.36921677
  H     16.36895236      6.76351106    -11.05675382
  O     14.28165616      9.14148667    -11.93447220
  H     16.75942140      8.88804240    -15.84844780
  H     17.12678901      7.76617675    -12.00233285
  O     16.12797444     10.63893219    -15.31284166
  H     16.14074529      7.50620494    -16.11528845
  H     18.62623617      4.63231282    -12.49415700
  O     18.68921035      8.60972101    -12.38167090
  H     14.09854528      9.27178062    -12.87467975
  H     18.98660114      3.60850153    -13.59538886
  O     19.07019121      6.97829563    -14.49590277
  H     14.99733641      8.48651110    -11.88314718
  H     15.15928446     10.30823719    -10.92858870
  O     13.01839950      6.44459610     -8.85066173
  H     16.55384659     10.77938604    -14.44813552
  H     15.28933515     11.56893977    -10.04405357
  O     11.87245012      5.56820354    -15.03109672
  H     16.36317277     11.38467489    -15.85828939
  H     16.63689530      8.42252927     -8.50471461
  O     19.61182844      7.74959561     -9.87614448
  H     19.19445351      8.34768590    -11.60462509
  H     16.86934806      9.61457472     -9.45463466
  O     11.32058154      8.02414564    -14.02502881
  H     18.94495143      8.04959946    -13.13242678
  H     14.52201791      9.80686038    -14.95624005
  O     14.47190335      6.64327258    -15.61253670
  H     18.88200599      6.06304849    -14.26420896
  H     14.06046444      8.33168286    -15.00009013
  O     12.25959645      7.33484950    -11.40962250
  H     18.37637328      7.26818811    -15.10798954
  H     17.88266761     10.17063962    -12.74833641
  O     16.28129228      7.32741782    -11.83499835
  H     13.20506524      5.54190217     -9.13565777
  H     16.83542769     11.06062910    -12.05910675
  O     18.43631178      4.36492779    -13.41142184
  H     12.62042215      6.86940144     -9.62183426
  H     14.47489997      7.06320171     -8.10710334
  O     15.79090488     10.85536715    -10.43086850
  H     11.17482136      5.21823264    -15.57818506
  H     15.27914555      7.18677170     -6.79418169
  O     17.32437976      8.91895077     -8.96461480
  H     11.57856156      6.44578281    -14.72575191
  H     16.65478794      4.83194877    -13.63964448
  O     13.81999188      9.20898087    -14.66811337
  H     18.81474138      8.17087016     -9.50653016
  H     15.98269794      6.08249571    -13.03883920
  O     17.29655271     10.92860869    -12.89364399
  H     20.34658360      8.03604912     -9.34025794
  H     15.51982261      4.89282898     -9.86542376
  O     15.35708645      7.25532819     -7.74247060
  H     11.42824620      7.89478818    -13.07395792
  H     16.07170018      6.01214789     -8.94708317
  O     15.81609539      5.30505644    -13.59492072
  H     12.04786418      8.59901980    -14.29917861
  H     13.58599360      4.25987310    -11.03542630
  O     16.28699664      5.45663979     -9.70694790
  H     15.00679372      6.14125019    -14.97931553
  H     13.65297139      3.09837939    -10.01865533
  O     13.87043095      4.01953666    -10.13766350
  H     13.60352155      6.22537964    -15.61259999
  H     12.69861278      4.99787793    -13.43346533
  O     13.25913380      4.92911275    -12.65117347
  H     12.61401589      6.53568678    -11.82179824
  H     14.17346977      4.98437465    -12.96897976
          69
 Energy    -250.47758166341347     
  O     -2.60401942      4.62384424     -2.08343393
  H     -2.11902604      3.84419573     -2.39010488
  H     -2.30301967      1.00989323      2.78447540
  O      0.76800628      1.12173362      5.82109018
  H     -3.25321054      4.28814769     -1.44980540
  H     -0.90271551      7.26352229     -2.10875795
  O     -0.75888115      3.06232583      0.41165465
  H      0.80380780      1.37259847      6.74074488
  H     -1.46693906      5.86246381     -1.77010332
  O      1.76312170      2.57056623     -2.21339586
  H      0.58970928      1.93400468      5.31738977
  H     -2.58670622      0.12823066     -0.79832150
  O     -0.12477648     -0.61929642      1.00035135
  H      0.08212243      2.59132869      0.43404733
  H     -1.14968118     -0.38875363     -0.61605259
  O      0.28814370      3.26361641      4.18286821
  H     -1.10191082      2.93736154     -0.48126427
  H     -2.80263039      5.39321224      1.85347029
  O      1.70428770      5.16582974     -1.00273077
  H      2.43200044      2.16166822     -2.75651193
  H     -4.09172438      5.73493010      2.63823234
  O      2.72986794      0.19671246      3.97159681
  H      1.76801494      2.10295311     -1.35943888
  H     -1.63919622      2.78897447      1.91984987
  O     -0.74632203     -0.99000638      4.56545040
  H     -0.89161445     -0.36443940      1.53160131
  H     -2.70423060      3.47757499      2.80550480
  O      2.97466876      5.14650809      1.39241920
  H      0.41935474     -1.18389382      1.56407921
  H     -0.11427292      2.40592915     -2.45770251
  O     -1.20077554      5.72518812      1.10605440
  H     -0.56205461      3.05216174      3.77365837
  H     -1.30730755      1.46737453     -2.09120131
  O     -2.35388344      0.05841398      2.60766477
  H      0.46890434      4.19238058      3.97325495
  H     -4.78915157      0.06564654      0.44514916
  O     -0.78446500      6.51716692     -1.52845351
  H      1.71597015      4.34609845     -1.51116429
  H     -3.48921533      0.31667335      1.23752830
  O     -1.76689581     -0.05037692     -1.27603502
  H      0.88846772      5.62626324     -1.23192082
  H     -4.13705893      2.50031523      0.08872514
  O     -3.60648185      5.01303832      2.24794973
  H      2.16931856      0.45963542      4.71326232
  H     -4.13273200      3.91646299      0.71052904
  O     -2.05779360      2.76209825      2.79607898
  H      2.85734085      0.99915949      3.45013333
  H      1.72979362      2.81739566      3.10086006
  O     -1.07112612      2.37163200     -2.34842653
  H     -0.04760911     -1.45190408      4.08609404
  H      2.78627645      3.47254018      2.17639039
  O     -3.98332409      0.57812768      0.44327131
  H     -0.30142381     -0.29951442      5.07203088
  H      0.99923617      0.68405630      0.49189643
  O     -4.19708706      3.43877956     -0.12381548
  H      2.51992244      5.17061885      0.53155215
  H      1.96361274      1.78276182      1.05856321
  O      2.49899762      2.62733170      2.54533925
  H      3.77212300      5.66007002      1.29377802
  H      1.95981122     -2.72990502      2.98392653
  O      1.53863724      1.45198511      0.25565057
  H     -0.97500382      4.81020904      0.87653665
  H      1.97250059     -1.20730696      3.26318284
  O      1.42903243     -1.94053954      2.92265114
  H     -1.09625384      6.21986216      0.28441907
  H      0.06052670      5.87100860      2.49397738
  O      0.77419624      5.73790901      3.13201387
  H     -1.92497461     -0.38515962      3.35359400
  H      1.57635785      5.65874221      2.60129288
          69
 Ord_Energy   -250.476822    
 O    2.49627900      0.465335429       3.65339875    
 H    1.73484600      0.703187585       3.10717344    
 H    2.80697012     -0.380996943       3.30880094    
 O   0.594959915      -1.07968318       8.50725269    
 H    1.10202551     -0.647652984       9.18981266    
 H   0.959097743     -0.780808628       7.65625763    
 O   -4.66638470      -3.80778050       6.04135561    
 H   -3.72629666      -3.91367292       6.26479912    
 H   -5.14441824      -4.44998121       6.56097174    
 O   -4.48633146     -0.942445993       2.71421337    
 H   -4.86163950     -0.263319105       3.28655505    
 H   -4.28451967     -0.551330745       1.85005546    
 O    1.11289990      -1.59324455      0.796086907    
 H   0.894204974     -0.695565224       1.08183014    
 H   0.264546305      -1.98656392      0.560631514    
 O   -2.58109045      -4.70997286       1.72841537    
 H   -3.36252809      -4.39117050       2.21805835    
 H   -2.82005262      -5.54570484       1.33806002    
 O   0.575995743      -3.80893302       7.52632427    
 H    1.04516435      -3.68571711       6.68996429    
 H   0.670243263      -2.97758651       8.00589085    
 O   -1.78472173      -1.09794188       3.31946182    
 H   -2.73363590      -1.02663624       3.14126587    
 H   -1.60915923     -0.597060621       4.12869453    
 O   -1.04862046      -3.70093966       3.86328387    
 H   -1.29581285      -2.77747679       3.70619082    
 H   -1.45135748      -4.20972013       3.15021825    
 O    1.38371801     -0.501467586       5.94157887    
 H    1.86435807      -9.78679024E-03   5.26027727    
 H    1.36814713      -1.41977274       5.63481236    
 O   -1.22456884      0.375741273       5.54586983    
 H  -0.276423723      0.212511644       5.63888741    
 H   -1.64578664     -0.101438187       6.27314377    
 O   -5.28005075      0.899510026       4.67924118    
 H   -5.08707142      0.252266139       5.38164854    
 H   -6.11810303       1.29923570       4.89577961    
 O   -4.60031271      -3.67573094       3.17542553    
 H   -4.67645836      -2.73025441       2.98179317    
 H   -4.68812180      -3.76486921       4.13075113    
 O    2.96039462      -2.23659658       2.67597771    
 H    2.31435966      -2.08920240       1.96214902    
 H    3.76155591      -2.54417801       2.25996590    
 O   0.124827228      0.684164226       2.10777164    
 H  -0.460319966       6.16299100E-02   2.55763984    
 H  -0.461544514       1.36900532       1.76381218    
 O    1.46057463      -3.08799267       4.89975595    
 H    2.06150198      -2.88459444       4.17109203    
 H   0.636668444      -3.39395046       4.49527216    
 O   -2.02456093       2.32774520       1.41626525    
 H   -2.12841582       3.22251439       1.10376096    
 H   -2.33219624       2.31498384       2.34100676    
 O   -1.64468932      -2.23602343      0.676358163    
 H   -1.61639225      -1.81034219       1.54367959    
 H   -1.97935498      -3.12556934      0.846108675    
 O   -4.67584610     -0.984629989       6.52399254    
 H   -3.87236452     -0.954978049       7.05830956    
 H   -4.81832695      -1.91858137       6.32864380    
 O   -2.81365752       2.15255880       4.00978231    
 H   -2.20102429       1.70096850       4.60422897    
 H   -3.69206357       1.83066428       4.24653530    
 O   -2.09271240      -1.26968372       7.61207056    
 H   -2.06392026      -2.15444422       7.22025156    
 H   -1.26316166      -1.16313159       8.09393597    
 O   -3.42982316       2.81596798E-02  0.395947397    
 H   -2.91156507      0.809000909      0.628534496    
 H   -2.80509496     -0.684478402      0.213722318    
 O   -1.95722699      -3.85504127       6.47428513    
 H   -1.70617652      -3.86742640       5.53962469    
 H   -1.13518274      -3.99309087       6.96715450    
          69
 Energy    -250.47669403134046     
  O     20.39000304     11.86619361    -16.04157988
  H     19.68624823     11.95734851    -16.70068303
  H     19.72467788     18.19564406    -15.99938549
  O     15.25252556     17.31821216    -14.93163916
  H     21.05111846     12.55134131    -16.21866597
  H     14.72159301      9.10209873    -14.73227046
  O     21.60647561     15.34378388    -13.72895957
  H     15.75056202     17.38696531    -15.76596905
  H     16.06977894      9.71712455    -14.28243850
  O     15.29897715     12.58499767    -14.73042429
  H     14.63648311     18.04651972    -14.92463498
  H     20.64590511     16.94723693    -14.17222490
  O     18.25814674     12.00314388    -17.80921629
  H     20.98347768     14.60677653    -13.61107651
  H     19.23605601     17.51689693    -13.90937648
  O     17.46387384      9.83160252    -13.23311677
  H     22.22913959     15.29070800    -13.00743212
  H     16.64525492     12.61607884    -13.48069078
  O     17.45382398      9.53211179    -16.90992350
  H     15.58683042     12.97297846    -15.57027228
  H     17.08607581     13.37171207    -12.20766262
  O     21.96121545     14.10024774    -16.33338696
  H     15.18645231     11.63708562    -14.86929975
  H     20.01175256     10.25986861    -15.38252274
  O     19.98805406     15.69820950    -17.52166413
  H     17.55549588     12.59519188    -17.50977912
  H     20.37112506      8.80530551    -15.01065006
  O     14.53414002     14.96434247    -13.43895353
  H     17.94588346     11.10124935    -17.64601601
  H     15.89068668     15.60011632    -19.96766880
  O     19.81170246     13.26120627    -13.72212235
  H     17.49599360     10.73943153    -12.90470142
  H     17.23346857     15.09707686    -19.38611057
  O     19.48067891     18.39060500    -16.92253061
  H     18.27196531      9.68946056    -13.74283212
  H     17.30327832     16.25942220    -12.69913306
  O     15.35967369      9.77722636    -14.94746565
  H     18.18127634      9.33657191    -16.30669894
  H     16.75752483     17.11968573    -13.86795036
  O     20.07001346     17.69719002    -14.36433807
  H     16.66403741      9.57910148    -16.35777299
  H     17.65758406     17.85826586    -17.13928391
  O     17.31015101     12.62536122    -12.77607444
  H     22.03755275     14.56023119    -15.48982651
  H     16.67038825     16.93218882    -17.90291817
  O     19.65149152      9.43164900    -15.02375264
  H     21.41232124     14.67661135    -16.88332774
  H     15.68647846     15.00651008    -12.15153837
  O     16.40217100     15.55467060    -19.16463013
  H     19.96164507     16.66157510    -17.50323515
  H     16.10436862     15.18423741    -10.66898850
  O     17.56976205     16.83132750    -13.42934571
  H     19.41101740     15.41740754    -16.79553603
  H     18.06920302     15.66000117    -14.78679818
  O     16.74552255     17.54556478    -17.16174473
  H     14.64427660     14.13506520    -13.92407609
  H     18.84381913     14.32879117    -14.86515295
  O     16.44929948     15.02110538    -11.54268969
  H     14.68377341     15.68374508    -14.06432469
  H     19.28738827     14.73986446    -18.93099818
  O     18.33079916     14.95441410    -15.39070713
  H     20.01925086     12.67213536    -14.46192605
  H     18.66609036     13.34009313    -19.11431761
  O     18.72511140     14.21517173    -19.51909181
  H     18.98319819     12.96552033    -13.32061677
  H     16.18675004     14.41545893    -17.67998099
  O     16.34347779     13.85802059    -16.90979876
  H     19.85969001     19.23940891    -17.13347008
  H     17.01423093     14.30711735    -16.37015442
          69
 Energy    -250.47607348976976     
  O     10.56092332     12.28088576    -12.25096624
  H     10.75320451     12.33783383    -13.19518326
  H     13.92701625     12.14772384    -12.78478425
  O     14.63803131      8.36680054    -16.95716635
  H     10.78148888     11.37467329    -11.99906499
  H     16.25139049      8.75971199    -11.44706510
  O     11.62787928      9.72205254    -11.63932744
  H     14.96943471      9.23526578    -17.22341934
  H     16.67127633      9.50630966    -10.15653566
  O     14.80666812      8.89372767    -14.28516121
  H     13.68923605      8.38023297    -17.13566941
  H     15.32155214      6.51227045    -12.25396281
  O     13.02439480     11.85820287     -9.00669540
  H     11.46273513      9.47232371    -10.72368250
  H     14.95467878      7.89245263    -12.83821893
  O     15.45420068     11.07965411    -17.30528954
  H     12.52590249     10.08988843    -11.64717638
  H     13.27656475     14.43780572    -10.97697056
  O     12.02365824      9.17237145    -14.30781237
  H     15.24099106      9.75645696    -14.29930376
  H     14.05028866     14.09802784    -12.25982788
  O     14.07083520      8.02998109     -9.35113287
  H     14.81709042      8.56336098    -15.19663419
  H     17.38597336     11.01565025    -11.98312172
  O     14.10671109     10.95860185    -11.44422809
  H     12.48910040     11.06761974     -8.86393342
  H     17.26940945     12.53943989    -11.83777353
  O     11.75182880      9.31927058     -8.85470746
  H     12.45217690     12.55904989     -9.34658541
  H     11.67783252     10.98255473    -14.64240212
  O     16.56532469     13.74730517    -10.49235025
  H     16.11257869     11.49992382    -17.85297610
  H     11.86304414     11.98356984    -15.78856449
  O     13.86590969     12.77741626    -13.52092845
  H     15.71663774     11.24104558    -16.38317911
  H     16.08423354     12.57772123     -9.09785393
  O     16.61048539      9.59246043    -11.11677818
  H     12.98872702      9.09866881    -14.28025642
  H     14.77288231     12.02938392     -8.48519900
  O     15.10074495      7.40751527    -12.00787523
  H     11.72602184      9.19609349    -13.38884784
  H     16.66121255     11.58074710    -13.97501222
  O     14.13253392     14.54576432    -11.40530551
  H     14.85054494      8.42590161     -8.94077232
  H     15.22800855     12.00219475    -14.35829800
  O     17.55788580     11.84818020    -12.44530550
  H     14.32715444      7.78755827    -10.24841629
  H     13.56077086     11.45054824    -17.42005365
  O     11.59282055     11.92051625    -14.86133918
  H     13.85413384     11.33540795    -10.59039425
  H     12.28372301     10.59477495    -17.43764791
  O     15.73703326     11.97236216     -8.43097343
  H     14.97261848     10.55009580    -11.33449414
  H     16.17250962     10.32498289     -8.29758215
  O     15.96672454     11.43928760    -14.63382318
  H     11.24924279      8.86021316     -8.18770100
  H     16.98013628      9.18559283     -7.62664842
  O     12.59791916     11.50647119    -17.39247088
  H     12.57166533      8.80909482     -8.99324770
  H     11.16916843     13.34742718    -11.02380354
  O     16.37786747      9.37232633     -8.34103593
  H     15.69948170     14.06581744    -10.80278663
  H     10.89952175     14.49393622    -10.02135891
  O     11.55784545     13.85953568    -10.29189069
  H     17.09317112     14.52460579    -10.32496987
  H     11.01594321      8.28234210    -17.30387301
  O     11.80313641      8.74730190    -17.03191478
  H     13.05277266     12.58011110    -14.00295291
  H     11.75811208      8.82941683    -16.06465306
          69
 Energy    -250.47589807838148     
  O     12.02034850      8.75408477    -14.91308694
  H     12.77523326      8.37580982    -15.38264757
  H     15.97295235     11.27219504    -15.06504554
  O     16.58758364      6.49238711    -12.04578226
  H     12.23707050      9.67990217    -14.75138188
  H     16.11604980      9.23410519    -13.66095689
  O     17.28432594     10.56558207    -13.99102472
  H     17.06409075      6.93030474    -11.32890648
  H     15.86212749      7.84040494    -12.99156381
  O     14.90051713      4.93322466    -15.42122173
  H     15.78506082      6.13299332    -11.64527923
  H     10.29907208      6.82776635    -13.11851320
  O     14.25436540      8.72037188     -8.52827610
  H     17.80502090      9.92909420    -14.50280900
  H     11.47008667      7.66222861    -13.68989093
  O     14.30334380      5.77309500    -10.64469581
  H     17.76027821     10.80206667    -13.18678568
  H     17.00086014      8.61268691     -9.91692961
  O     13.89391927     10.20026703    -12.04322782
  H     14.71640596      4.10688251    -15.85975915
  H     17.03127929      7.25970331     -9.16370696
  O     18.18610422      8.52171571    -15.62247850
  H     14.35543318      4.94583264    -14.61332556
  H     12.57892249      5.69467893    -13.21360117
  O     15.62134445      6.40349301     -8.19493445
  H     14.84474649      9.35395278     -8.95548048
  H     13.67081013      5.11500238    -12.30419401
  O     17.46725017      5.97129009    -14.59811992
  H     13.55538351      8.53394225     -9.16880496
  H     18.98809562     11.87861797    -11.24322361
  O     19.92734926      7.34822814    -13.68500718
  H     13.74485284      6.56407134    -10.68314573
  H     18.95463363     10.33922836    -11.41849870
  O     15.24371605     11.36588994    -15.69456050
  H     14.72753233      5.78526425     -9.77859136
  H     19.83799983      8.24996785    -12.07304960
  O     15.45136233      8.54848169    -13.50342931
  H     14.39406088      9.55378037    -12.56942673
  H     19.11294409      8.31675939    -10.69474485
  O     11.22591718      7.01845511    -13.00068888
  H     13.46337775     10.77179878    -12.68809013
  H     16.81444649     10.64384219    -10.61103756
  O     17.51613372      7.80108789     -9.79782511
  H     17.89207872      7.65088365    -15.31319603
  H     15.32263911     10.30532613    -10.86077651
  O     13.33863245      5.09945114    -13.21021013
  H     17.59920254      8.76539511    -16.34761867
  H     14.77641301      7.97995965    -15.03621465
  O     18.42407702     11.15406514    -11.49919579
  H     15.61368088      6.07488002     -7.30015208
  H     14.53521332      6.69463233    -15.86566457
  O     19.69067023      8.80498597    -11.29484134
  H     15.10751551      7.23218928     -8.19714311
  H     13.02395448      8.85555934    -11.20427168
  O     16.05365216     10.17995533    -10.23974248
  H     17.22872832      6.08295012    -13.66494731
  H     12.05091675      7.68824570    -11.45453809
  O     14.43290139      7.65382150    -15.88454884
  H     16.70629675      5.53310543    -14.99407380
  H     13.71248179     11.44650399    -14.87527949
  O     12.66418211      8.05086078    -10.80306555
  H     19.40042428      6.55926112    -13.84640421
  H     12.42089889     12.24345186    -14.58007247
  O     12.87856977     11.43352619    -14.37157066
  H     19.66542029      7.93774166    -14.40300458
  H     15.43450732      8.62244531    -16.97548030
  O     16.05953198      9.21170125    -17.43254158
  H     15.46193124     10.76501534    -16.41540556
  H     15.93331990      9.07645784    -18.36824546
          69
 Energy    -250.47556202378900     
  O     16.43396117      9.42934120    -12.04864054
  H     16.20108533     10.31781088    -11.74927620
  H     14.04753894      9.60988043     -6.92468621
  O     15.40378269      5.18508039     -7.25337487
  H     17.38290497      9.28893159    -11.92625117
  H     19.71202416      3.86111854    -12.90225726
  O     15.55570524     11.78264941    -10.83032951
  H     15.63433553      5.17450002     -8.19891322
  H     18.28712408      4.45828356    -12.99884781
  O     12.98316578      6.53946359     -8.09667495
  H     15.52688539      4.29715982     -6.92839220
  H     15.50332731      5.29815831    -10.68003755
  O     14.89562830      7.63590455    -13.44407266
  H     16.09539971     11.70041864    -10.02237099
  H     15.77061397      6.53385070     -9.79867981
  O     19.01519934      8.68015994    -11.47342103
  H     15.50770705     12.71117205    -11.03977213
  H     19.15891720      7.84104346    -13.19811256
  O     19.57715688     10.09558996     -9.07548052
  H     13.70445928      6.05499828     -7.68343216
  H     19.26340597      6.34374178    -13.54285043
  O     18.68126407      6.12170311    -10.36796489
  H     13.03006151      7.44548658     -7.75768124
  H     15.98083957     10.40539821     -5.40219678
  O     12.18987569      5.89059835    -10.60496668
  H     15.42871403      7.36566419    -14.20100815
  H     16.17531955      9.29891145     -6.46425689
  O     12.60270560      8.40233117    -11.93881709
  H     15.42511213      8.29396505    -12.96852847
  H     16.92897481      6.84359346    -16.25271132
  O     13.42705122     10.07229338     -9.93012605
  H     19.29779343      9.25870069    -10.75543502
  H     17.60873455      6.97314101    -14.86882723
  O     13.27945200      9.19562611     -7.32958955
  H     18.88860718      7.80235695    -11.08230851
  H     16.00552380      8.63634436    -10.44656320
  O     19.19152814      4.62745756    -12.67764267
  H     20.40748950     10.48541648     -8.81376124
  H     14.76939971      8.75320291     -9.54734754
  O     15.98644858      5.59276419     -9.89800867
  H     19.52775461      9.22357516     -8.64324931
  H     17.92346805     10.97571838     -8.73900135
  O     19.07277686      7.21078314    -13.92332452
  H     18.96882655      5.54849833    -11.08951089
  H     16.66765918     11.05991183     -7.82697369
  O     15.85624464     10.20709043     -6.32732047
  H     17.76061030      5.88659230    -10.18673865
  H     13.61547118      5.30590818    -11.66387575
  O     16.78483460      6.71448867    -15.31924115
  H     11.31200664      5.52472740    -10.53303527
  H     14.59373079      6.05840560    -12.59665180
  O     15.61007791      8.28858495     -9.63827136
  H     12.46596915      6.12556171     -9.70094526
  H     18.42516645      7.60655132     -7.60216477
  O     17.06688056     11.40720404     -8.63369353
  H     13.28365180      8.19069622    -12.58950887
  H     19.21093883      6.98733236     -8.77620056
  O     14.44562949      5.21106108    -12.14837668
  H     12.37450561      7.56632217    -11.51375043
  H     16.23405189      6.85459727     -6.96714985
  O     19.28460694      7.61437870     -8.04454167
  H     14.03198048     10.73388899    -10.28267284
  H     16.30604455      7.99280557     -8.01361165
  O     16.62769223      7.71819497     -7.13887656
  H     13.06455252      9.57071418    -10.67691749
  H     15.86879136      4.47219732    -13.15406522
  O     16.68004067      4.37587829    -13.66871476
  H     13.16873362      9.63231151     -8.18781279
  H     16.65061191      5.07119960    -14.33859512
          69
 Energy    -250.47514034283898     
  O     10.98665617     10.61462217    -11.53163109
  H     11.74319197     11.06951789    -11.91914086
  H     14.70744699     12.16318842    -15.61873929
  O     13.68548214      7.89729422    -15.28486911
  H     10.45213161     10.29963661    -12.27228837
  H     16.20619362      9.55461827    -14.18494503
  O     17.48595619     10.50320024    -10.43802173
  H     13.98689037      8.00112011    -16.19528744
  H     15.48899031      9.24375181    -12.83819029
  O     17.27601214      8.40199757    -16.62549255
  H     14.38695225      8.26571332    -14.72285176
  H     11.07089578      9.21628706    -10.47772374
  O     11.97262264     10.03607034    -14.99462923
  H     16.55356258     10.39510760    -10.69195920
  H     10.63447245      8.47015470     -9.19224002
  O     15.97463472      6.00886345    -10.67576051
  H     17.50016419     11.08970752     -9.68606028
  H     18.77532751      7.26981639    -13.48253027
  O     13.17763879      6.18972064    -13.18465253
  H     17.36554353      7.71796805    -15.95146032
  H     20.31001867      7.23638528    -13.30528108
  O     14.93375476     10.04771136    -11.28343964
  H     17.40805751      9.25013152    -16.17712856
  H     10.66982570      7.31371739    -11.57799298
  O     14.82185187      8.64521278    -17.73998953
  H     12.48376007      9.21822918    -15.08648547
  H     11.37409249      6.58634823    -12.74642649
  O     15.63544124      4.74636484    -13.01327537
  H     11.10017834      9.79294184    -14.66369169
  H     18.48394896     10.56956361    -12.04651296
  O     17.25987619     10.72776053    -15.04705972
  H     16.75435215      6.56934193    -10.54953797
  H     19.22169311      9.55902681    -12.94689956
  O     15.15985578     12.63754896    -14.89642469
  H     15.20440457      6.56944668    -10.52510686
  H     16.78733590      5.93467738    -13.96147275
  O     15.68665473      8.88985436    -13.71143087
  H     13.93122861      5.58769170    -13.16053279
  H     16.70693647      7.47036176    -13.98882840
  O     11.10521059      8.36039920    -10.01362701
  H     13.27797938      6.71378593    -13.99279627
  H     18.70419371      7.65054146    -11.27463992
  O     19.51776711      7.67361009    -13.00351308
  H     14.32902809     10.59009999    -11.80838813
  H     17.96372534      8.64922622    -10.37044187
  O     10.54542551      7.00812570    -12.48538686
  H     14.47284004      9.23258236    -11.03577027
  H     14.21017181     10.39138402    -17.17387508
  O     18.91077463     10.47238376    -12.90685296
  H     15.73309141      8.54265207    -17.41133215
  H     13.05947600     10.87105231    -16.26746364
  O     17.25899037      6.71989518    -14.26173769
  H     14.82135362      8.34971667    -18.64625506
  H     13.49496618      7.18665025    -11.65521301
  O     18.14259215      7.70957988    -10.49248942
  H     15.80514638      5.14922864    -12.13984531
  H     12.81651451      7.83568430    -10.41730496
  O     13.83828193     11.17567036    -16.75367528
  H     15.73700360      3.80464265    -12.90551128
  H     13.94993499     12.00263233    -13.51536590
  O     13.67165453      7.65443049    -10.82661461
  H     17.90229743     10.76681306    -14.31976736
  H     12.83582153     10.95821648    -13.68484757
  O     13.30737752     11.48172582    -13.01948913
  H     16.67225830     11.48914284    -14.98278242
  H      8.71722885      9.18340517    -13.90828876
  O      9.63937940      9.26547172    -13.68182145
  H     15.20413586     13.55419089    -15.15698536
  H      9.91852412      8.40757634    -13.31380943
          69
 Energy    -250.47478318979617     
  O     16.37776665      9.37200968    -12.23799232
  H     16.78620448     10.24455090    -12.16576914
  H     16.38827422      2.69550780    -12.60240594
  O     17.67491995     11.78158316    -11.72170985
  H     17.07534857      8.72049505    -12.40051766
  H     15.65567632      6.27784362     -7.90264192
  O     13.82971129      8.28142148    -12.27908431
  H     17.92471771     12.53115764    -12.25559159
  H     15.67317512      7.16222587     -9.16200195
  O     18.24730482      7.34965770    -12.41049611
  H     18.49704778     11.41040069    -11.35109342
  H     16.65647655      5.03071304    -13.72390162
  O     20.69478302      8.06063195    -11.17179439
  H     13.78314233      7.75274274    -13.08522978
  H     17.29468532      6.42980109    -13.76323720
  O     17.51556031      5.36691352    -10.56862389
  H     14.69280990      8.71954960    -12.29777871
  H     19.55018262     11.67338697     -7.19069529
  O     11.91865700      7.78517646     -8.48549244
  H     19.13132881      7.63150921    -12.14891553
  H     18.33237796     11.48482072     -8.12680619
  O     16.95913026     12.16198545     -8.93154319
  H     17.96942788      6.68984796    -11.75744459
  H     13.78561446      6.56215065    -15.38393834
  O     12.60981535      9.95928368    -10.29108872
  H     21.58550278      7.78076542    -11.36489128
  H     14.99640911      6.33583165    -14.44715561
  O     14.55185819     10.83405230     -8.54236736
  H     20.39062271      7.53237796    -10.41125178
  H     15.57375290      9.49171732     -9.18584748
  O     13.89985120      8.89759239     -6.70490293
  H     17.17668742      4.68104212    -11.15732385
  H     16.27607558      8.99404936    -10.48054949
  O     16.33540715      3.63241499    -12.43433374
  H     16.80322571      5.58410692     -9.95112310
  H     20.17909820      9.80498273    -10.73859269
  O     15.52601730      6.25020971     -8.85683087
  H     11.03302542      7.47711232     -8.30819799
  H     19.73646736     10.74101883     -9.58028435
  O     16.66918511      5.85653378    -14.22387500
  H     12.29783862      7.17914019     -9.14266675
  H     16.42954769      6.74466595     -5.39019986
  O     19.13089120     11.04798813     -7.77518999
  H     17.06823464     12.12870551     -9.88852441
  H     16.88565680      7.57682794     -6.60941096
  O     14.03847446      6.51199906    -14.46610771
  H     16.07374869     11.81861010     -8.74466623
  H     14.03048883      6.16340076     -9.83277906
  O     16.13945174      8.79602113     -9.54729628
  H     12.24479351      9.29885774     -9.68965264
  H     13.46988311      7.00598041    -11.02207821
  O     19.83500087     10.68373892    -10.53827481
  H     12.92764967      9.46993303    -11.06015131
  H     18.96122741      6.05025464     -9.56488291
  O     16.14063075      7.07579027     -6.23672998
  H     14.31951022     10.29643017     -7.77035271
  H     19.14640733      7.19997545     -8.54286750
  O     13.25034798      6.30422434    -10.38980357
  H     13.84814606     10.70564351     -9.19557465
  H     18.52893570      9.31410203     -7.52789522
  O     19.62264751      6.62226515     -9.15342520
  H     13.22702979      8.43561687     -7.22177994
  H     17.45272950      8.59822796     -8.36571754
  O     18.08355702      8.46543864     -7.64017866
  H     14.58047134      8.25204355     -6.48635486
  H     13.46317578      4.96986993    -11.70516820
  O     13.75609919      4.47074263    -12.47856474
  H     15.38873257      3.86146234    -12.41084965
  H     13.71005963      5.08860531    -13.21919795
          69
 Energy    -250.47391216007026     
  O     18.10689802      8.91475062    -11.12665679
  H     17.75224204      8.11038710    -10.72880048
  H     18.72939869     10.17940110     -9.98360232
  O     14.42959950      9.52527437    -10.12488455
  H     17.37123839      9.42529627    -11.49021487
  H     20.23666565      9.78933881    -13.22462123
  O     19.79298017      3.11152541    -10.97923887
  H     15.03586592      9.23072120     -9.42154104
  H     19.32532563      8.86668809    -12.37732073
  O     21.44509032      7.01349440    -11.68326123
  H     13.66277282      9.88826927     -9.68982611
  H     20.77604554      4.02579283    -12.38000232
  O     18.83512019      4.88515530    -14.65367103
  H     19.84995708      2.19116577    -10.73939889
  H     21.32474780      5.44158268    -12.65558905
  O     22.62860063      8.62029297     -9.69958464
  H     18.95984762      3.22536506    -11.47309286
  H     17.86967189      4.05697032    -13.24503878
  O     16.14907108      8.57905870     -8.26347290
  H     21.96373033      7.51614781    -11.04313238
  H     16.80038365      4.07946634    -12.12173599
  O     20.45227956      7.75653288     -8.03597580
  H     20.99572100      7.65890230    -12.24779536
  H     15.43270432     10.31126962    -11.46709214
  O     18.58903401      9.46898011     -7.04452793
  H     18.98889658      4.44357846    -15.48526986
  H     15.84762549     10.01091929    -12.94087359
  O     17.23635313      6.59087363     -9.85557752
  H     19.66660391      4.82346161    -14.15015992
  H     15.18009494      8.85688116    -15.09836744
  O     18.23701362     12.30569246    -11.76000197
  H     23.53282234      8.74431095     -9.42442171
  H     16.42359253      8.29170590    -14.37165935
  O     18.99920088     10.92022192     -9.41837485
  H     22.30145855      9.49029036     -9.99285460
  H     21.38361420     11.23143764    -11.38785484
  O     19.96983882      8.87056945    -13.10492580
  H     16.49399466      7.79274900     -8.71149711
  H     20.73412049     11.03019610    -10.00880336
  O     21.04113861      4.62459791    -13.08858176
  H     16.89772434      8.94845400     -7.78219443
  H     14.73812466      7.79192313    -12.82964110
  O     17.57689123      3.60579746    -12.44322906
  H     21.22482384      8.09175700     -8.50660545
  H     14.33005076      8.06935551    -11.36387883
  O     16.06946483     10.53491679    -12.15962583
  H     20.20589451      6.94458941     -8.49643880
  H     18.71334217      8.04125054    -14.17859615
  O     15.55894437      8.72073445    -14.23435845
  H     18.76153471      9.59360066     -6.11530551
  H     18.21733430      6.64956586    -14.62552283
  O     21.57716182     10.97033249    -10.48085357
  H     19.25179242      8.83110777     -7.36692746
  H     20.78820572     12.31532377    -13.68349905
  O     14.38710644      7.37603002    -12.03209179
  H     18.11695446      6.19198310     -9.82151740
  H     19.69042736     11.93117960    -12.66426436
  O     17.96439250      7.57877014    -14.57719442
  H     16.64923715      5.98395890    -10.31982569
  H     15.00230447      5.82366591    -11.61155863
  O     20.52370902     11.63354015    -13.07225031
  H     17.42424520     11.83240211    -11.98119890
  H     14.69931407      4.49422608    -10.88483829
  O     15.40222281      4.99573312    -11.29051444
  H     18.44814948     12.04696787    -10.85252996
  H     19.85338439      4.73338395    -10.08692884
  O     19.82844789      5.66403205     -9.83349918
  H     18.85156636     10.61880424     -8.51554550
  H     20.34315238      6.14369687    -10.49878119
          69
 Energy    -250.47241600668312     
  O     -0.33608935      4.47236356      2.78693623
  H     -0.77365153      5.26546891      3.12296681
  H     -0.55926145      9.80177630     -0.57957342
  O     -3.15865172      4.97115800     -0.35805477
  H     -0.04055329      4.68474217      1.88509804
  H      0.74238565      2.79246302     -3.12739851
  O      4.23798622      6.68433856     -0.28442929
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  H     -3.82498231      4.41481081     -0.77944740
  H      0.30865110      7.97660276     -2.13067655
  O     -0.94798659      5.12797622     -1.94871905
  H      4.16573971      5.90053736      0.29044298
  H     -0.05582202      6.59117950     -2.66597757
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  H      5.14290264      6.98031413     -0.23611676
  H     -2.87997944      0.04793429     -0.48826481
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  H      1.23850829      8.14002854      0.25820125
  H     -2.37566496     -1.33246021     -0.97502849
  O     -2.08124656      7.39044966      0.75292079
  H      2.67017818      7.47439411      0.33526228
  H      1.35975068      4.45519843      3.43373414
  O     -0.25169108      1.52356512     -0.33237904
  H     -0.73815821      4.30218327     -2.40301149
  H      2.45312786      4.07120554      4.45382734
  O     -1.29648152      7.00559548      3.48994002
  H     -0.38621716      5.16089310     -1.15820463
  H     -4.05651212      2.55743473     -2.21034017
  O     -2.05971426      2.96203647      1.24640390
  H      2.44339533      2.88619970     -1.23968871
  H     -5.51478099      3.06902277     -2.20520907
  O     -0.23559924      8.90556947     -0.54896446
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  H     -1.93802850      2.00285102     -3.19284476
  O     -0.18581781      2.63914872     -2.91249566
  H      1.11187383      5.92372161      0.45203171
  H     -2.62251060      0.83061150     -2.47550721
  O      0.56696289      7.32136336     -2.78839605
  H      1.30996486      4.40827912      0.08750658
  H      3.22988835      2.90016756     -3.69551550
  O     -2.20429295     -0.39669067     -1.03215271
  H     -2.56450134      6.61439604      0.44469109
  H      2.68608614      4.15721274     -2.97218774
  O      2.28165281      4.61972674      3.69178762
  H     -1.89116331      7.25249189      1.68846351
  H      1.59959456      7.54844097      2.58141915
  O     -4.72969427      3.00596650     -1.66756574
  H     -0.75823549      0.73270826     -0.55561771
  H      1.82804323      6.53183794      3.71161668
  O     -2.80312981      1.61465488     -3.00872758
  H     -0.83491251      2.06077906      0.22313146
  H      3.42052199      3.78628676      0.78506610
  O      2.57060792      3.19337530     -3.07308317
  H     -0.35057815      7.23364975      3.54598987
  H      3.38258584      4.55678732      2.12309175
  O      1.39136157      7.36721640      3.51038943
  H     -1.72383219      7.40740672      4.24146196
  H     -3.35621693      1.69250743      0.86068747
  O      3.84714413      4.49927145      1.27973456
  H     -2.43763177      3.69003918      0.73165124
  H     -4.41009780      1.70771989     -0.25371996
  O     -3.96699620      1.12177965      0.37228017
  H     -1.54236779      3.36221121      1.95530549
  H      3.39017449      6.14373814     -1.89842590
  O      2.87560609      5.80929602     -2.64043284
  H     -0.93126127      8.37208735     -0.12365034
  H      2.11389414      6.39850556     -2.74535601
          69
 Energy    -250.47203740309507     
  O     -2.21977291      1.22607787      2.52471575
  H     -2.56171202      1.55745818      3.36814136
  H     -1.21918970     -3.30729561      4.01966865
  O     -1.77333235      4.27928378      5.52180018
  H     -2.56385402      0.32897484      2.42414460
  H     -4.69288684     -0.85301720      5.23693989
  O      1.37155999     -1.68683070      2.20182819
  H     -1.97102040      5.17512101      5.78082090
  H     -4.52150918      0.57814117      4.69668689
  O      3.62472986     -0.72365805      3.58936526
  H     -1.23781597      4.33320105      4.70970707
  H     -4.03911261     -2.77015677      6.92816114
  O      0.47603546     -1.11924070     -0.40866238
  H      0.99426606     -0.91757412      2.65733112
  H     -3.03186545     -2.40295871      5.81604135
  O     -3.20377428     -1.35520821      2.67653674
  H      1.23455950     -1.53128084      1.25926126
  H     -1.16069104     -0.22035666      6.61921068
  O     -1.64457272     -2.46577198      0.63663526
  H      2.96663682     -1.22448114      3.09016324
  H     -2.63171465     -0.51602054      6.97220421
  O     -0.95725868      2.95092579      0.83048082
  H      3.76290872      0.08159807      3.07591743
  H     -0.74287005      3.15074101      6.71427800
  O     -0.26956961      4.29740132      3.28135290
  H     -0.34777544     -1.53797351     -0.10235111
  H     -0.90410987      1.75631844      7.34065347
  O      1.90969306      2.71651060      3.82324758
  H      0.64534077     -1.46304741     -1.28223073
  H     -0.58011001      0.77063221      3.16206290
  O      3.65075954      1.60385848      1.92113848
  H     -2.65235351     -1.81100761      3.32604414
  H      0.82741454      1.27002815      3.61813373
  O     -1.67242514     -2.73457091      4.64999562
  H     -3.96141710     -1.01276053      3.17362828
  H      0.39151869     -4.72479964      2.56801133
  O     -4.94633991     -0.26956972      4.51090133
  H     -1.22587708     -3.12723241      1.20017808
  H      0.46573673     -3.17926652      2.53745196
  O     -3.69004675     -2.03576044      6.42904964
  H     -2.32468491     -2.05838165      1.18978747
  H      2.53028105      1.09045443      6.48050671
  O     -1.97805623      0.19148082      6.93767428
  H     -1.47708979      2.33310461      1.37327642
  H      1.44995293      2.16893942      6.78512752
  O     -0.28383875      2.48781014      7.24382805
  H     -1.54588602      3.28603103      0.15838718
  H      3.24183729     -0.76887328      5.30586291
  O      0.27175265      0.48635654      3.51313820
  H     -0.51315559      3.99377712      2.40106258
  H      3.65753748     -1.17702473      6.73803374
  O     -0.14016684     -3.93542797      2.62964286
  H      0.56018882      3.84305498      3.49262619
  H      1.08449294      0.62753048      0.02437366
  O      2.32747526      2.02772711      6.39743846
  H      2.63452824      2.44907600      3.24796451
  H      0.67463235      2.03784702      0.48946671
  O      2.94062406     -0.80533935      6.23123068
  H      2.15623021      2.54007770      4.74557091
  H     -2.80615615      2.78547148      5.21583260
  O      1.43880064      1.46878671      0.33571823
  H      2.88388361      1.54659901      1.32277814
  H     -2.72601772      1.31632898      5.69080601
  O     -3.13993427      1.89706135      5.03634917
  H      4.35404543      2.01557407      1.42600526
  H      1.11378066     -1.08174298      6.06210804
  O      0.20107258     -1.03980400      5.75497072
  H     -0.98340762     -2.20112093      5.07495910
  H      0.20519003     -0.43975795      4.99163200
          69
 Energy    -250.47191711497601     
  O     17.26547494      7.62502104    -11.56227651
  H     17.53732624      7.28424112    -12.42389047
  H     12.73958292      8.66166149    -13.54667268
  O     13.42348106     12.29489802    -12.89991853
  H     17.89687309      8.30126137    -11.27418205
  H     17.99479684     11.80914286     -6.42386300
  O     17.76815862      6.83294480    -14.20772120
  H     13.78293377     12.14243387    -12.01434078
  H     18.02513490     10.55718882     -7.33452795
  O     11.74950358     10.17096550    -13.17586468
  H     14.16330371     12.62231198    -13.42387388
  H     14.98472736     10.71943247    -11.34680145
  O     15.25203290      7.10117986     -9.76008499
  H     16.95040688      7.09473012    -14.66847824
  H     14.30806023     10.77419526     -9.95918104
  O     18.78421416      9.73619776    -10.66668840
  H     18.07081061      6.02903522    -14.62151130
  H     18.88246303      9.15991792     -8.86817679
  O     20.05744047     10.95762676    -12.84195285
  H     12.33590228     10.94584018    -13.11781222
  H     18.10905339      8.33468558     -7.80335586
  O     17.25985042     11.93738981     -9.86762118
  H     10.95012963     10.46822163    -13.60302047
  H     16.65495339      6.64306293     -6.55039409
  O     11.58994298      8.88075520    -10.58667149
  H     15.96584760      7.22694887    -10.40251665
  H     16.11565792      8.02958667     -6.97902638
  O     15.52433588      7.76533406    -15.42778710
  H     15.67639723      7.00861751     -8.89740795
  H     14.71615744      8.94745539    -12.87100110
  O     13.01135609      6.44606703    -11.23080778
  H     19.35423399     10.09095023    -11.36001088
  H     16.10889585      8.86529427    -12.18854844
  O     13.37963189      7.93754917    -13.59626898
  H     18.21456096     10.47045238    -10.39278164
  H     17.97248329      9.89138721    -14.90298495
  O     17.51937237     11.36201413     -7.11925666
  H     20.94638829     11.16653539    -13.11470331
  H     18.60666254      8.52907387    -14.56913092
  O     14.71509431     11.32703935    -10.63830284
  H     19.66525936     10.41098891    -13.54731687
  H     16.08013782     11.43109253    -14.96309588
  O     18.73429347      9.05984482     -7.91846900
  H     17.33355161     11.89819986     -8.90716634
  H     15.98786673     10.17002202    -14.09705773
  O     16.57149091      7.22877080     -7.29820191
  H     16.32624162     11.79654924    -10.08794307
  H     14.27616203      8.64955468     -9.24096896
  O     15.44202620      9.47975712    -12.51897044
  H     11.91638044      8.00105445    -10.81295902
  H     12.87353367      9.28645565     -9.38087644
  O     18.81378700      9.46176528    -14.69238072
  H     11.58028987      9.38004120    -11.41210970
  H     17.68147406     12.66704196    -11.54038607
  O     16.22959172     10.47955380    -14.98419820
  H     15.70545262      8.70959672    -15.52820780
  H     18.64452080     12.26540995    -12.66771481
  O     13.72720702      9.38355044     -8.93430295
  H     14.70555501      7.70974320    -14.91741614
  H     16.55210387     13.06700320    -13.59909981
  O     17.87049323     12.80746718    -12.47736424
  H     12.73096803      5.55206248    -11.05083979
  H     15.92717601     14.02311255    -14.63867228
  O     15.82638072     13.16169635    -14.24240505
  H     13.79882773      6.60649785    -10.68446614
  H     15.94904501     10.28220637     -6.77593446
  O     15.33449557      9.54832785     -6.65705611
  H     13.20452278      7.34051041    -12.85755851
  H     14.66301794      9.62613031     -7.34966271
          69
 Energy    -250.47179038373230     
  O     16.71585967      9.64310511     -7.45525704
  H     17.38806771     10.02501569     -8.03214938
  H     11.38128713     10.23164082     -9.25695599
  O     17.21293524      6.28973276    -11.37534679
  H     15.86722659      9.92392016     -7.82387102
  H     16.44082609      9.69757374    -15.51577181
  O     14.01831257      4.54020648    -11.33687412
  H     16.90385038      5.75312503    -12.11582120
  H     16.00818584      9.14258212    -14.13832448
  O     18.87367727      7.70218640     -9.60033973
  H     16.60667884      6.12351019    -10.63753711
  H     18.75684069      9.45184560     -9.59928962
  O     17.24419212      6.98267160     -7.35065548
  H     14.48635111      4.84016948    -10.54861142
  H     19.44395857     10.82686076     -9.42343126
  O     16.21332124     10.86439778    -10.93471763
  H     14.64596505      4.61038763    -12.06666986
  H     16.06885415      6.11039578     -8.52684976
  O     10.04366189      7.31732336    -11.15928463
  H     18.45616445      7.38394531     -8.78985305
  H     14.71481781      6.45909862     -9.18465228
  O     14.40433038     10.20551819     -8.93008300
  H     18.48074309      7.17911371    -10.31080162
  H     12.97884106     11.02324915    -12.68374085
  O     13.61938155      8.04720781    -11.98873041
  H     17.00341797      7.92635739     -7.31841638
  H     12.73891494      9.63027797    -12.08749058
  O     11.44568446      4.99086390    -12.05020102
  H     17.49677055      6.73422802     -6.46546460
  H     11.81005749      6.11224094    -13.48152769
  O     14.70461549      6.73973900    -15.06539359
  H     15.54836506     10.69750144    -10.25031683
  H     11.45858930      7.53228281    -14.01680405
  O     11.84969328     11.02430112     -9.54650840
  H     17.07206120     10.85378767    -10.49306252
  H      9.69708869      9.46394355    -13.97500143
  O     15.67509807      9.45587994    -14.99897551
  H     10.50058311      6.50187527    -11.40012980
  H     10.97695646      9.60161989    -13.11707590
  O     18.59189762     10.40735647     -9.50686461
  H     10.03949279      7.87341464    -11.94728253
  H     10.09164159      8.28388625     -8.14517708
  O     15.47350677      5.85759050     -9.24323223
  H     14.16732237      9.27156730     -9.00599965
  H     10.42647398      8.04836726     -9.63805663
  O     12.28937680     10.46073717    -12.30401220
  H     13.57156287     10.68394437     -9.04472579
  H     16.22416502      4.20197508    -14.00843707
  O     12.11459937      6.82467641    -14.06000905
  H     13.20469977      7.56199883    -12.71085428
  H     15.51516763      5.57409931    -14.05086500
  O     10.34825250      8.96099040    -13.49311542
  H     14.54293700      8.20085090    -12.22639803
  H     14.92516613     10.97529922    -13.92511716
  O     10.75227497      8.44926470     -8.81232264
  H     11.01036378      4.14242132    -12.07075455
  H     15.21570494     11.49373040    -12.49805732
  O     15.91626406      4.91615298    -13.45618232
  H     12.35289600      4.82888678    -11.73542027
  H     13.40877737      7.71160388    -10.27295792
  O     14.61282808     11.58569589    -13.24747727
  H     14.96858808      7.65918122    -15.18281529
  H     12.49270798      7.82736781     -9.01963829
  O     13.39001180      7.62007121     -9.30655916
  H     13.75484051      6.74888704    -14.88192134
  H     16.34040671      9.38523139    -11.90698516
  O     16.30148083      8.62599894    -12.50624335
  H     11.90432568     10.95984487    -10.50926837
  H     16.71422408      7.86364676    -12.08269074
          69
 Energy    -250.47166454128160     
  O     12.46773837     10.97542971    -15.80805987
  H     13.16666388     11.61256983    -15.62412822
  H     15.37162174      5.74625488    -14.91712992
  O     15.56944538      6.56567433    -13.28009332
  H     12.01000878     10.79681723    -14.97722242
  H     20.75890405      7.41443015    -12.32318517
  O     16.88979806     10.28385535    -11.20678943
  H     16.28806807      6.79552015    -12.67763814
  H     19.75326288      8.55386592    -12.61861321
  O     17.96996591     10.18417178    -15.19849385
  H     14.75042245      6.73914231    -12.79457983
  H     16.49606502     10.76224655    -17.63330311
  O     12.58190073      6.29372929    -16.15857762
  H     16.30700446     10.22031300    -10.43679069
  H     17.14342289     12.11098580    -18.01851105
  O     14.89348742      9.78673493     -9.35876210
  H     16.35521748     10.67601833    -11.91085441
  H     15.58009200      8.07363961    -14.27995245
  O     13.42622261      7.28166937    -11.66996536
  H     17.14751760      9.70097784    -15.02048860
  H     14.93759687      8.84191312    -15.47705706
  O     15.11557939     11.11050752    -13.18478134
  H     17.75358194     10.79783486    -15.90680255
  H     10.09568041     10.24578843    -13.40494429
  O     17.32906315      6.69042510    -17.29471172
  H     12.10869840      5.65775484    -16.68830009
  H     11.16279019      9.15050707    -13.64039232
  O     15.30673462      6.91887747     -9.57936544
  H     13.49235547      5.95908568    -16.06331043
  H     12.12707650      7.21063987    -13.05122374
  O     18.99927559      7.58883185    -15.35926610
  H     14.95125987      8.82941479     -9.25792144
  H     11.88201562      7.02400244    -14.57233453
  O     15.15182677      5.54888541    -15.83827927
  H     14.15524053      9.94557334     -9.96228388
  H     18.55820143     10.38748531    -12.07235266
  O     19.86182556      7.58442509    -12.59756352
  H     13.91750455      7.03466639    -10.87719851
  H     18.88145681     10.35268056    -13.58009597
  O     16.71567373     11.65242206    -17.30007981
  H     13.33026169      8.24542872    -11.63795906
  H     18.24315711      7.40478978    -11.69973960
  O     15.54859526      8.92429196    -14.73409600
  H     15.04902590     11.81543627    -13.83673979
  H     17.19121517      8.48582048    -11.34033041
  O     11.03555681     10.10453700    -13.48341979
  H     15.21155875     10.29309335    -13.70012313
  H     16.57325716      8.34982065    -17.90200686
  O     11.55100907      7.46787719    -13.78243358
  H     17.94756451      6.94955061    -16.58896878
  H     15.19050178      9.02153901    -17.83314606
  O     19.27084742     10.22283925    -12.70415380
  H     17.82810057      6.15647320    -17.90830086
  H     12.30597139     10.16156337    -12.10536190
  O     17.34975689      7.52970869    -11.35727944
  H     16.09159996      7.04560826    -10.13803011
  H     13.80614261     10.50270347    -12.09965868
  O     16.10349362      9.16117969    -18.12647227
  H     15.54095025      6.27009439     -8.92046150
  H     14.76242802     13.63038260    -15.66519649
  O     13.11320293     10.06273599    -11.58578166
  H     18.78191466      8.53147558    -15.38229721
  H     15.45792973     12.33755240    -16.13815173
  O     14.81423551     12.69080613    -15.50424099
  H     19.31502308      7.41808950    -14.46617806
  H     13.21007750      7.97123201    -16.68984470
  O     13.70495675      8.78319004    -16.84587294
  H     15.86986397      5.91042290    -16.37160316
  H     13.16900905      9.53485463    -16.55039494
          69
 Energy    -250.47159033525344     
  O     15.18535088     10.34840337    -10.32029375
  H     14.70877641     10.70239720    -11.08402955
  H     15.10438314      4.92147435    -16.58113402
  O     13.09300926     10.77641169    -16.15325912
  H     14.79098779      9.48365820    -10.14976708
  H     18.85855034      3.08300384    -12.02154899
  O     16.77141802     11.24710461    -13.47324212
  H     13.00157273     11.60171066    -15.66022289
  H     18.17989191      4.22028466    -12.82280593
  O     13.55711454      4.76213870    -13.34954962
  H     12.90804638     10.07115399    -15.52075469
  H     13.41652089      7.38701790    -10.79528585
  O     15.72466891      5.75399068     -9.03806106
  H     15.83629697     11.13811452    -13.24651386
  H     14.55672269      7.04178290     -9.76650886
  O     15.87980225     13.10289439    -15.40852245
  H     17.26161249     11.15728698    -12.64844940
  H     18.42540430      8.21898371    -15.02105814
  O     15.91640896      7.13278431    -12.32742908
  H     14.20706792      4.48068866    -12.68898386
  H     18.89819601      7.78508880    -13.61734991
  O     14.06202664     11.07222504    -12.77272486
  H     14.02920879      4.77159281    -14.18988943
  H     14.22091842     13.24527311    -14.85280576
  O     18.44758506      8.14626699    -11.79887608
  H     15.75960867      5.46727249     -8.12947761
  H     12.91724154     14.00478864    -14.50253337
  O     17.79618643     10.73578057    -10.88996079
  H     16.64683670      5.89316030     -9.32363525
  H     13.78962484      8.41677020    -14.43775113
  O     17.82004089      4.94046692    -14.32017284
  H     15.86119599     12.52065854    -16.17848392
  H     12.62733796      8.20442202    -13.43901101
  O     15.23811470      5.07034027    -15.64843868
  H     16.35094253     12.60980330    -14.72302053
  H     15.40395466     11.10592991    -18.32176642
  O     18.27861592      3.83356176    -11.93197605
  H     15.32283356      7.51144368    -11.66688126
  H     14.63977332     10.88559882    -16.99524992
  O     14.13741576      7.75454659    -10.26726396
  H     15.90243289      6.17803865    -12.18800036
  H     12.68698742      6.07200389    -12.62384199
  O     18.84554798      7.49768755    -14.53847324
  H     13.71213930     11.83649803    -13.24647978
  H     11.34239739      6.55176820    -12.03033792
  O     13.30625963     13.13552380    -14.53524873
  H     13.66323317     10.28651659    -13.17188172
  H     15.53277547      4.70881177    -10.59417885
  O     13.00165126      8.83810635    -14.06073764
  H     18.33259794      9.04235345    -11.46073354
  H     16.47022592      4.04460231    -11.63780850
  O     15.52155620     11.04165021    -17.37776297
  H     17.56170744      7.82134887    -12.02427228
  H     18.39102955      5.22199093    -10.62152023
  O     12.24676034      6.81771937    -12.17665767
  H     18.20903565     11.30413736    -10.24577532
  H     18.46350733      6.75790459    -10.54016066
  O     15.57575814      4.38502058    -11.50261297
  H     16.87613871     10.59730325    -10.59793734
  H     15.59170380      7.48540228    -14.01642127
  O     18.24366292      5.96878330    -10.02727506
  H     18.20116519      5.81836505    -14.47497416
  H     15.98933400      8.32353244    -15.26434571
  O     15.33959519      7.69215188    -14.93085808
  H     16.99626781      4.89457924    -14.81455500
  H     17.14910479     10.15492762    -14.86827848
  O     17.21045695      9.58644871    -15.65088928
  H     15.24825898      6.03445481    -15.51666162
  H     16.75094932     10.05341209    -16.35974942
          69
 Energy    -250.46970894586588     
  O     12.83590558      5.57902583    -15.51967988
  H     13.41046447      4.80799361    -15.44062336
  H     15.68701285     11.56281349    -14.47738659
  O     16.66619468      5.70750136    -11.95334275
  H     13.42636219      6.34093830    -15.59601756
  H     16.18386673      8.48513407    -10.83431906
  O     15.09268931     10.61359701     -8.85501436
  H     17.51642038      5.98774860    -11.58270702
  H     16.22159825      7.49416750    -12.00283545
  O     19.87449238      8.55447394    -12.86542600
  H     16.74115387      5.57768787    -12.90715994
  H     11.73962886      5.60654658    -14.16451179
  O     14.61985282      3.42965826    -14.80869670
  H     14.37715648      9.97047530     -9.00756343
  H     10.30583316      5.43285794    -13.60893587
  O     13.27569743      8.62015438     -9.18069982
  H     14.84355893     11.12214391     -8.08720390
  H     16.40434531      9.22646874     -8.88637916
  O     14.31775884      5.39367519    -10.63362709
  H     19.40205207      8.16610808    -13.62429607
  H     16.26854997      7.69441338     -8.72510307
  O     13.84484193      9.16724653    -13.23441435
  H     20.80037913      8.55876557    -13.09297706
  H     12.39842762      4.15152713    -12.73447324
  O     14.92419643      6.47697113     -8.21514876
  H     14.14797461      3.43086592    -13.95676455
  H     13.58388632      4.05977366    -11.76261277
  O     16.75950163      9.18999475    -16.54791542
  H     14.64841456      2.52373998    -15.10447983
  H     18.64454891      9.95204254    -12.57382819
  O     16.46258199      5.55063484    -14.69946440
  H     12.89428932      8.24692376     -9.98514485
  H     17.15815087      9.69711686    -12.29849697
  O     16.52339941     11.24015106    -14.83090753
  H     13.71735646      7.88755447     -8.73323999
  H     19.22024864      7.52915467    -11.38386362
  O     16.00198165      8.40741618    -11.77963383
  H     15.16882179      5.44464720    -11.09827598
  H     18.31474666      7.50378626    -10.12569913
  O     11.21496407      5.54650849    -13.34548682
  H     13.74067722      6.08188524    -10.99548053
  H     16.63596919     11.57981275    -11.55065976
  O     16.82327060      8.38597086     -9.11215158
  H     13.81793017     10.12715208    -13.31974804
  H     15.58429258     11.54623714    -10.41215988
  O     13.16793191      3.61325558    -12.51097490
  H     14.62044696      8.95487343    -12.68878378
  H     15.35313031      8.17545174    -15.88956685
  O     17.79785383     10.40275760    -12.47913757
  H     14.71508515      5.98355572     -9.02760196
  H     14.37880979      8.19922690    -14.67861935
  O     18.79344785      6.94195433    -10.74727331
  H     14.88288189      5.85266287     -7.49578013
  H     12.89893200      8.00539228    -12.22165143
  O     15.81912788     11.98974622    -11.23629624
  H     16.67416688      9.97403229    -15.97504566
  H     11.97318968      6.76480398    -12.15312177
  O     14.72762113      7.63956452    -15.38626640
  H     16.92669474      9.50802452    -17.43073615
  H     13.61838055     12.73854257    -13.41592425
  O     12.53836676      7.33794502    -11.62028915
  H     15.95008771      4.73809399    -14.79468409
  H     14.70975841     12.03824286    -12.56978161
  O     14.15933541     11.95532263    -13.37027179
  H     15.85515211      6.27548106    -14.91061164
  H     17.93394115      6.72756391    -14.90325226
  O     18.46444576      7.53254980    -14.95001380
  H     17.06777655     11.02490110    -14.06062332
  H     17.97909510      8.12669278    -15.53528535
          69
 Energy    -250.46942822751004     
  O     13.77971197      5.67162722     -9.31990224
  H     14.40281842      6.21462123     -8.82228480
  H     12.16542554      8.60164861    -13.71850637
  O     14.06701568      8.69090022    -16.36158585
  H     14.32577469      5.15959834     -9.92899555
  H     17.31039388      9.97256280    -11.88457262
  O     17.78950293      8.18299983    -14.61873235
  H     13.47168205      8.79409208    -17.09964045
  H     17.67145684      8.83542889    -12.91898359
  O     16.62598677     11.61546399    -11.73224188
  H     13.56756728      8.92312722    -15.56037632
  H     14.44339059      8.81945687    -11.22245043
  O     17.44794223      3.13513108    -12.71878724
  H     18.56357074      7.60695332    -14.58455890
  H     15.68108704      8.79385336    -12.15143574
  O     11.48196716      6.97389874    -12.98718682
  H     17.03075991      7.60978894    -14.80042680
  H     19.63429006      5.92168933    -13.41926486
  O     17.35019697      6.77017143    -10.40517431
  H     16.40253235     11.97642762    -12.59986061
  H     20.69821275      6.17062482    -14.51536787
  O     13.98643658     11.93521188    -10.49869030
  H     15.83146549     11.72337818    -11.19768780
  H     14.32118735      6.98877379    -12.62823068
  O     17.55032467      4.53702024    -15.04627330
  H     17.60406790      2.20835312    -12.87774898
  H     14.55875263      5.47998971    -12.39980619
  O     15.73859933     12.49728817    -14.29392069
  H     17.43842070      3.57309885    -13.58875952
  H     16.97864116      9.65660323    -15.41338285
  O     13.22461629     11.93627119    -13.10666206
  H     12.34573339      6.52678811    -13.01381959
  H     15.58970241      9.80041102    -16.06731388
  O     12.81846426      9.26212133    -13.98000435
  H     10.82468782      6.31444891    -13.19456706
  H     15.06753459      7.19249842    -15.77449813
  O     17.46136327      9.02145325    -11.99396441
  H     17.44698707      7.57639053    -10.93379582
  H     15.03880676      6.32821043    -14.49114518
  O     14.73019337      8.63329521    -12.12490412
  H     16.89155338      7.02744672     -9.59609308
  H     18.70666319      4.43999426    -12.03931478
  O     19.76438621      6.23076463    -14.33420971
  H     13.71879766     12.75932105    -10.10009892
  H     18.68808896      5.76958406    -11.25652168
  O     14.08925675      6.10795718    -12.96430618
  H     13.64251965     11.94246497    -11.40955245
  H     12.50423960      6.85975653     -9.89201783
  O     16.34432047     10.30623883    -15.74379499
  H     18.34969049      5.07124749    -14.95926766
  H     11.69808218      7.44939664    -11.07519937
  O     15.58331440      6.56387222    -15.25604893
  H     16.83744626      5.15546397    -15.25184056
  H     16.20389948      4.03611849    -11.67862543
  O     19.21666506      5.24142879    -11.86931183
  H     16.04078077     13.26968836    -14.76427776
  H     16.24725352      5.40844775    -10.95876238
  O     11.98904646      7.63146291    -10.17705897
  H     15.97827358     11.72685849    -14.83909790
  H     15.83332187      7.83682489     -7.36700099
  O     15.65686686      4.68646653    -11.22225745
  H     12.92191353     11.10122297    -13.48297256
  H     15.11992371      8.27781601     -8.66593262
  O     15.68798515      7.59012505     -8.27675702
  H     14.03019105     12.17383075    -13.58561331
  H     13.15151485      8.85869302     -9.68125448
  O     13.98594844      9.32830916     -9.51345994
  H     13.55493280      9.15791320    -13.35502297
  H     13.89538186     10.25603958     -9.76341873
          69
 Energy    -250.46903823070971     
  O     15.27523126      6.31233106    -14.32548442
  H     16.22508694      6.28476203    -14.14716642
  H     16.81631852     11.01369789    -16.61889637
  O     18.55485108      8.70423875    -12.01062765
  H     14.81964656      6.28867519    -13.47102490
  H     15.25251375      8.10854633    -14.40515169
  O     11.21902599      7.72004590    -15.17427431
  H     18.64380756      8.36263720    -11.11321835
  H     14.40359055      9.41375688    -14.53221423
  O     15.97407923      7.54474388     -8.94507891
  H     17.80735970      9.31899463    -12.02861118
  H     11.34766124     10.43728246    -11.22010666
  O     14.05314703      6.57403121    -11.86379488
  H     10.45498400      7.58902346    -15.72887285
  H     11.73360689      9.08054103    -11.86333866
  O     16.45057234     10.44779549    -12.42467970
  H     11.97349314      7.30523035    -15.63084940
  H     17.94382899      5.51097424    -12.12378451
  O     14.53871781      8.73274587    -18.10300869
  H     15.66550891      6.65935107     -9.17439376
  H     18.24806290      5.89152713    -10.65756551
  O     15.39552050      4.95195109    -10.04836663
  H     15.45355950      8.16174626     -9.47686530
  H     12.26303311      6.98353358    -12.19208608
  O     16.87572488      9.10544721    -16.74275588
  H     14.41215580      5.93476935    -11.23529471
  H     11.28589699      7.41516845    -13.31288462
  O     13.40808507      6.74893575    -16.38694772
  H     14.29762156      7.45347748    -11.54242290
  H     19.42686692      9.58009482    -13.38562194
  O     19.28005471      7.91407533    -15.89725542
  H     16.89915148     11.20233810    -12.82481953
  H     19.11534238     10.83066062    -14.22750420
  O     16.49883292     11.87328192    -16.31576055
  H     16.05297690      9.95681725    -13.16294146
  H     18.45530884      6.83358953    -14.52737284
  O     15.30468628      9.07145950    -14.46667670
  H     15.42984602      8.83337959    -17.72651665
  H     18.13823606      7.31864107    -13.10535939
  O     12.04669817      9.98720635    -11.68676463
  H     14.64591150      8.69101762    -19.05031808
  H     19.14904293      7.48102653     -8.75045143
  O     17.83308277      5.21776452    -11.21110553
  H     16.26491596      4.95954369    -10.48835585
  H     17.68384728      7.52270962     -9.25147678
  O     11.42798537      7.44246622    -12.35801682
  H     15.27929328      4.08194217     -9.67711107
  H     13.92357199     10.44074531    -17.29352207
  O     19.62693802     10.01353725    -14.22768707
  H     16.37326383      9.14980559    -15.91287323
  H     13.31691459     10.98044642    -15.98989199
  O     17.98994660      6.58442568    -13.72078489
  H     17.70187445      8.64833581    -16.55175307
  H     13.73111292      9.52026663    -11.01272843
  O     18.61128191      7.43079237     -9.53564300
  H     13.80668958      7.37612626    -17.00294843
  H     15.24853062      9.68184694    -11.29283097
  O     13.80906814     11.24694713    -16.77671581
  H     14.09931874      6.47250689    -15.77051266
  H     18.12928842     13.19718860    -13.96109027
  O     14.59803155      9.13847752    -10.82674759
  H     20.08081733      7.71044407    -16.37287338
  H     17.34262834     12.20381013    -14.84735722
  O     17.85255177     12.28697614    -14.02074536
  H     19.47117037      8.69536976    -15.34552998
  H     12.11907362      9.29335266    -14.75804000
  O     12.67964213     10.02812203    -14.47337287
  H     15.54059277     11.83881150    -16.44482146
  H     12.48139371     10.17959313    -13.54186944
          69
 Energy    -250.46878104868958     
  O     11.01238448     10.96181984    -11.80825076
  H     11.79542748     11.31305864    -12.24939997
  H     15.43978493     13.03103513    -15.85418906
  O     17.30361061     10.45675621    -10.48656930
  H     10.39313337     10.73659417    -12.51433953
  H     16.92123572      7.96073223    -13.69176102
  O     18.21663713      8.45018510    -16.34864208
  H     17.52649272      9.56947280    -10.17746071
  H     15.46436011      7.88648590    -14.17933015
  O     12.02064234      9.45422619    -14.92106313
  H     16.39885608     10.39473052    -10.82334466
  H     11.06200576      9.57276935    -10.72509505
  O     15.97022802      6.24988634    -10.99733658
  H     18.07107748      9.32882995    -15.97775734
  H     10.66601228      8.94374607     -9.36910105
  O     12.48735876      7.08274898    -13.56591143
  H     17.37806707      8.19218333    -16.75273405
  H     19.55619438      9.25785282    -12.30620692
  O     14.89401601      9.94014824    -11.76163184
  H     11.09092628      9.65866487    -14.76474877
  H     19.16833565      8.10313647    -11.35731010
  O     15.63073835      7.68936779    -17.34565513
  H     12.19782351      8.62030347    -14.46166804
  H     10.16143836      7.82751727    -11.68944178
  O     16.58557687      4.96330927    -13.55842346
  H     15.07720225      6.61814774    -10.97808579
  H     10.70130275      7.20287820    -12.98587245
  O     17.35667429     10.69874275    -14.73879934
  H     16.06802752      5.77919305    -11.83154586
  H     19.58848562     11.79343792    -12.22355375
  O     14.68349693      6.38296658    -15.04541623
  H     13.17548689      6.70516683    -14.13021789
  H     18.38015450     10.95043182    -11.74870364
  O     15.19424194     12.21303843    -15.42962812
  H     12.88166915      7.23698917    -12.69581757
  H     18.97325166      7.32273968    -13.44147340
  O     16.09235325      8.45643946    -13.72135300
  H     14.33446963     10.54972354    -12.25911520
  H     18.47381567      7.35148941    -14.93281709
  O     11.03570485      8.73804853    -10.22360606
  H     15.36796273      9.40427378    -12.41746251
  H     17.25714858      7.20398767    -10.30604293
  O     19.66183746      8.31035662    -12.16206247
  H     15.09861217      8.48393223    -17.15490599
  H     18.21711386      7.35262826     -9.10601809
  O      9.89585045      7.54583560    -12.57396117
  H     15.49802089      7.48552425    -18.26791923
  H     14.49048393     10.68589052    -16.37651870
  O     18.98903469     11.10327020    -12.49467384
  H     17.32667986      5.56511126    -13.75478550
  H     13.33649613      9.68222592    -16.18764330
  O     18.40395448      6.88123364    -14.08941085
  H     16.94149128      4.07867946    -13.55047019
  H     13.99503291      8.50258683    -11.19747232
  O     17.97528262      7.74882658     -9.93911708
  H     16.84897220      9.92984433    -14.43673706
  H     12.68230923      7.92652804    -10.62184415
  O     14.14558129      9.84357852    -16.69216679
  H     17.97356621     10.91252246    -14.02648182
  H     13.91133479     11.87478197    -14.05785652
  O     13.51565303      7.67478345    -11.03814170
  H     15.03328032      6.67587001    -15.89674005
  H     12.85577369     10.75509039    -13.95815039
  O     13.29174283     11.45565844    -13.44942520
  H     15.31977881      5.78049278    -14.63646232
  H      8.51919734      9.94151236    -14.23445998
  O      9.41653948      9.85274998    -13.92638039
  H     16.02150060     11.75850661    -15.19485506
  H      9.47589597      8.99390442    -13.46916816
          69
 Energy    -250.46794388434040     
  O     12.16397972      9.30692561    -11.32668775
  H     11.84451550      8.65387413    -11.96165773
  H     14.37122200      6.96260107    -13.18238183
  O     11.23045029      7.38309056    -13.11514835
  H     11.73984410     10.15090208    -11.52336993
  H     12.16887891      8.73139948     -9.63172412
  O     11.05373217     11.81684842    -11.72580864
  H     10.75784259      6.82371148    -12.48490471
  H     12.61406530      9.10168415     -8.19678877
  O     14.88082513      9.36193222    -11.16508996
  H     10.58965299      7.89879944    -13.62210183
  H     13.88206198     11.07489540     -8.18283938
  O     15.14293249      6.57456408    -11.48324420
  H     11.75416455     12.24794507    -12.23190593
  H     13.46834156     11.03672660     -6.69574000
  O     13.92478625     14.99185062    -11.89538104
  H     11.14020566     12.05696624    -10.79521744
  H     12.03610588      5.82461733    -10.41451540
  O      8.61684892     10.37222739     -9.47322719
  H     13.91616980      9.36132580    -11.27244981
  H     12.77239401      6.75717283     -9.44021542
  O     13.04352134     12.77501088    -13.37345658
  H     15.15251741      8.43919621    -11.21758502
  H     15.22795521     10.48227346    -12.55641219
  O     16.12586229     13.15284044    -11.45539123
  H     15.80970712      5.91649808    -11.30696729
  H     15.12168859     10.60670011    -14.08959942
  O      9.56952555      7.70989957     -9.11236925
  H     14.35462482      6.31852594    -10.97141079
  H      9.18623101      9.14464579    -15.36712760
  O     13.04022186     13.71815972     -9.67034140
  H     13.54857406     14.63250565    -11.07124630
  H     10.44074164      9.78000452    -14.72578248
  O     13.88363983      7.24086681    -13.96588864
  H     13.86205362     15.94101335    -11.83682174
  H      8.86437094      9.98224507    -12.97394575
  O     12.23891933      8.38980518     -8.72490395
  H      7.75521506     10.65160110     -9.17286986
  H      9.47274094     11.08951173    -12.11071739
  O     13.18566329     10.78239533     -7.57084002
  H      8.58230022     10.37121941    -10.44701170
  H     11.58931469     11.48705574     -8.39867853
  O     12.90698485      6.01987990    -10.05221961
  H     13.30573480     13.63288985    -13.01780394
  H     10.15245229     11.42591692     -8.99362147
  O     15.29283056     11.11448773    -13.28676873
  H     13.82795062     12.20937740    -13.32687809
  H     12.13868238     11.52758636    -14.54454601
  O      9.67584383      9.20121291    -14.55084900
  H     15.53164239     13.88531744    -11.65689691
  H     12.70968619     10.27021852    -15.21728134
  O      8.70536546     10.49916642    -12.17800995
  H     16.02123216     12.52335642    -12.18141351
  H     14.25732489      8.63725463    -14.89883870
  O     10.93870708     11.98086088     -8.91332587
  H     10.46239834      7.89708325     -8.78979882
  H     14.80486349      9.21005682    -16.22853780
  O     11.88222557     10.71863977    -15.00270707
  H      9.15686926      8.57360784     -9.22769573
  H      9.86771720      6.52502159    -10.35177482
  O     14.41613259      9.46108858    -15.39510018
  H     12.22415512     13.36359713     -9.30084074
  H      9.60003768      5.11625193    -10.93031853
  O     10.15905147      5.88281656    -11.02390244
  H     13.68056084     12.99558374     -9.62028306
  H     15.48905235     12.18924331    -10.04637315
  O     14.95110463     11.58415967     -9.51484489
  H     12.94639222      7.19832183    -13.72998483
  H     14.96426435     10.74592591     -9.99892736
          69
 Energy    -250.46774668256836     
  O      0.10808326      1.11818021      4.22453454
  H      0.98906557      1.40432854      3.92500398
  H     -3.02901951      5.88410627      0.54312037
  O     -3.97925917      0.98591609     -1.06898191
  H      0.25125632      0.50206591      4.93797891
  H     -3.37373606      3.84808883     -0.08209561
  O     -3.68602119      2.82292516     -3.03615786
  H     -4.06164661      1.46562043     -0.23386129
  H     -3.50455051      4.09406309     -1.60375581
  O     -3.61922988      4.44864978      3.34432713
  H     -3.13095593      0.52522362     -1.02286624
  H      4.18252154      5.08416798      3.24486893
  O     -1.26062115      0.20660282     -0.79169681
  H     -3.88414614      2.12155904     -2.38810530
  H      3.43231343      4.81971645      1.91895247
  O     -0.92634750      2.24034555     -2.70885445
  H     -4.35325075      2.76929807     -3.71464473
  H      0.44983894      3.89223369      1.65073996
  O     -0.11851508      7.18542954      1.62582214
  H     -2.78874455      4.15580481      3.76197157
  H      0.03321823      3.79675528      0.14843086
  O      2.54300596      1.89393081      3.24600306
  H     -4.20650529      4.70322327      4.05084505
  H     -3.78064087      3.20826589      1.97970268
  O      2.32493556      1.42885874      0.48036505
  H     -1.26050964      0.47068511      0.14050093
  H     -2.84876278      2.08164573      1.49098381
  O      1.38570098     -0.62847427     -1.24895771
  H     -0.42459676     -0.24870333     -0.94666539
  H     -0.57485071      4.21129393      4.01174874
  O      3.28965993      5.20287964      0.22233600
  H     -1.04276687      1.56286746     -2.02626026
  H     -0.87744527      2.77036305      4.45217085
  O     -2.74650832      6.34126185      1.34390193
  H     -1.81405227      2.45969102     -3.01747570
  H     -0.89404766      1.02081251      2.63207690
  O     -3.24905698      4.51434537     -0.77453367
  H      0.29383164      7.16798532      0.75584460
  H     -0.74360437      2.00920242      1.46136685
  O      3.45374912      4.59869664      2.86751888
  H     -1.05906598      6.98523719      1.49868717
  H      0.44113995      5.86820707      2.61328237
  O      0.32012281      3.28258693      0.91141903
  H      2.59988907      1.58619561      2.33172476
  H      1.65026928      4.99868212      3.11183045
  O     -3.62685885      2.60116706      1.24415251
  H      2.89914546      2.79032148      3.23266280
  H      0.54813078      5.99991237     -1.15784928
  O     -1.26522437      3.64960171      4.39522296
  H      1.60356426      2.06592283      0.61112588
  H      1.17096988      7.32706553     -1.64824775
  O     -1.25046566      1.23775109      1.76362211
  H      1.96732945      0.65841530      0.02362277
  H     -0.53459544      3.84292439     -1.92008681
  O      0.69007421      5.03327251      3.04120843
  H      1.77637937     -1.45770485     -1.51056768
  H     -1.48158002      4.74211264     -1.10499260
  O      1.16437770      6.71268210     -0.91834044
  H      1.54650102      0.00400792     -1.97308173
  H      4.49098074      2.64067517     -1.60052465
  O     -0.55545454      4.63330621     -1.36467312
  H      2.61177846      5.78965280     -0.13494771
  H      3.23987041      2.35653842     -0.73723316
  O      3.58325767      2.90507453     -1.46375153
  H      3.40461394      4.50074347     -0.42829812
  H      2.31079571      2.02412346     -2.67473009
  O      1.72357669      1.36250622     -3.05888036
  H     -3.04899995      5.78800274      2.07426537
  H      0.84157968      1.75652711     -3.10662877
          69
 Energy    -250.46761591732988     
  O     15.43913917     10.71061764     -9.84275870
  H     16.10709090     10.07155130     -9.56953268
  H     14.98455008     11.31182594    -15.42818471
  O     13.89225008      8.37380992    -15.19894259
  H     15.74849478     11.07690653    -10.68313393
  H     18.96326732      7.64504571    -11.97759898
  O     16.21842191      5.14252673    -12.49001233
  H     14.27654145      7.48845787    -15.23328785
  H     18.98386117      9.19533249    -12.08315002
  O     18.76239829      6.06150859    -13.06220384
  H     13.09469226      8.31424913    -14.65468295
  H     16.53296132      8.40462298    -13.74944651
  O     14.18209805     12.40265329    -14.09573991
  H     15.97914773      5.83751686    -11.85953053
  H     15.04268812      8.75839586    -13.80183615
  O     11.84704619      4.98318951    -11.22043773
  H     15.51906281      4.47397596    -12.44698090
  H     12.35634410     10.70887335     -9.29497960
  O     11.82111647      8.15070668    -13.39132484
  H     19.41604567      5.36720203    -13.02943920
  H     13.74709928     10.39755475     -9.89742779
  O     15.53075379      7.30066080    -10.93076528
  H     17.90761538      5.64851430    -12.85187673
  H     13.95281581      4.80126983    -15.33860301
  O     18.04559371     10.14064222    -15.97711566
  H     13.77764074     13.25091079    -14.25596230
  H     13.19191192      3.69149369    -16.09621246
  O     11.06323292      5.56807134    -13.93175065
  H     13.51379715     11.85570050    -13.64424712
  H     12.52400863     10.71430322    -11.81259323
  O     17.55486949      7.53223348    -15.13768979
  H     12.14022756      5.88179802    -10.99704669
  H     12.06312160     10.00145292    -13.09601893
  O     15.37319621     10.63559520    -15.99629131
  H     11.30009661      4.68714090    -10.49673044
  H     16.09477706      6.44412417    -15.34056961
  O     18.95339675      8.45537411    -11.45830285
  H     12.18507859      7.96158072    -12.51620318
  H     15.53374481      5.64883577    -14.16254407
  O     15.81170596      8.76096984    -13.21737216
  H     11.41672114      7.32318311    -13.68972830
  H     13.25886871      4.00280208    -12.04616853
  O     12.79280077     10.22000725     -9.98743111
  H     16.11235932      7.66367102    -10.25239947
  H     13.64892298      3.62942181    -13.48711444
  O     13.19483427      4.19587018    -15.28638213
  H     15.62913274      7.86886809    -11.71236310
  H     18.01172775     11.04317607    -12.90215822
  O     12.41897411     10.83511488    -12.76389086
  H     17.09472692     10.35319648    -16.00395733
  H     18.64510782     10.48985272    -14.18509300
  O     15.32524820      5.92625722    -15.06574435
  H     18.43780870     10.54398401    -16.74665564
  H     12.67813697      8.42010390    -10.42720119
  O     13.96169208      3.60407860    -12.57465335
  H     11.70722599      5.09405448    -14.47197240
  H     13.76212973      7.38740006    -10.80452453
  O     18.78711721     10.57103743    -13.23522523
  H     11.20997530      5.26700179    -13.02608219
  H     17.86699714      8.52764837     -8.51738136
  O     12.80501061      7.53891256    -10.80078854
  H     18.19794551      7.12637730    -14.54318446
  H     17.97807048      8.61902082    -10.05833401
  O     17.35317416      8.65376764     -9.30983130
  H     17.90050434      8.36816138    -15.47517286
  H     15.60225238     11.90528696    -12.96302902
  O     16.22260086     11.39628064    -12.42832557
  H     14.81137009      9.85586929    -15.89239900
  H     16.09781260     10.47093896    -12.69297118
          69
 Energy    -250.46751034243584     
  O     -3.74272501     -0.31668013      3.10417039
  H     -4.01727564      0.19611585      2.32629973
  H     -2.48481130      2.78139446     -0.84540735
  O      0.73679814      2.43562062      2.90237603
  H     -3.32443267      0.31956759      3.69655404
  H     -7.27465137      2.08022140      1.49067814
  O     -1.95982196     -1.79412690      1.63087386
  H     -0.04847049      2.97955015      2.75693850
  H     -7.00487100      1.56911801      0.04611358
  O     -4.48065154      0.88067737     -2.77536653
  H      0.56323125      1.93137339      3.70688882
  H      2.37776212      0.75074457      0.78853260
  O     -2.49944103     -1.08291577     -2.29806561
  H     -2.51254477     -2.30419588      1.02176715
  H      1.22785822      1.33032529      1.64478806
  O     -4.39150017      1.20816355      0.93056909
  H     -2.56616607     -1.33155267      2.22736434
  H     -4.32881177      2.48236680      4.35567998
  O     -7.35303038      1.52536856      3.26661515
  H     -3.79988178      0.19968045     -2.70412384
  H     -4.87982232      3.68486117      3.56731798
  O     -2.54650501      1.79112718      4.46128683
  H     -5.21983425      0.56867896     -2.23599305
  H     -2.51442004      4.21785813      2.50431594
  O     -3.66183251      3.36630652     -2.14278609
  H     -1.87480683     -0.72062634     -1.64873029
  H     -1.84028026      3.21183894      1.54472350
  O     -6.22967987      0.02490644     -0.78301701
  H     -1.98023636     -1.58781666     -2.92039581
  H     -4.35575060      6.00633738      2.63810566
  O     -6.44534653     -2.46948927      0.45393819
  H     -5.10877149      1.84958823      0.98857918
  H     -4.53625404      4.87231958      1.60132266
  O     -2.08587436      2.43665711     -0.03628627
  H     -3.61371439      1.67425315      0.60092900
  H     -6.81170358     -0.29598523      2.97188584
  O     -7.02019382      2.36005725      0.60139337
  H     -8.05590617      1.70865040      3.88484272
  H     -5.45692192     -1.00852577      3.07077702
  O      1.45998443      0.62513961      1.01370030
  H     -6.56558613      1.99685849      3.59431500
  H      0.41819741      0.37285326      5.80828697
  O     -5.14671421      2.89193148      4.04797924
  H     -2.27708283      2.39454267      3.75310916
  H      0.08921945     -0.06189032      4.36106129
  O     -1.78831872      3.58636765      2.43716071
  H     -1.73170586      1.40360753      4.80411196
  H      0.85803034     -0.68620427      2.33981700
  O     -4.17664485      5.08291804      2.48183855
  H     -3.53209597      3.87726012     -2.93706705
  H     -0.40179371     -1.53615329      2.59169900
  O     -6.38085269     -1.14458947      2.81786441
  H     -3.99215140      2.49266822     -2.42086539
  H     -3.47828209     -2.26889614     -1.02086001
  O     -0.03574275      0.64795492      5.01640402
  H     -6.44821611     -0.86780309     -0.49068206
  H     -4.61579095     -2.71977274     -0.06671360
  O      0.37440082     -1.15771131      3.02776689
  H     -5.48661015      0.30482966     -0.22470809
  H     -1.30136224     -0.64786302      0.40856048
  O     -3.67344955     -2.81417422     -0.25078622
  H     -7.03885048     -3.21337244      0.50970129
  H     -0.03000060      0.15965690      0.04132239
  O     -0.91496896     -0.07148353     -0.26907486
  H     -6.45190226     -2.03949169      1.32847021
  H     -4.72435462      4.07796958     -0.70153237
  O     -5.20005629      4.36507237      0.08571302
  H     -1.65163869      1.59379199     -0.22569099
  H     -5.97108467      3.78635085      0.17504889
          69
 Energy    -250.46607068296805     
  O      5.81390110     -4.52995648     -0.54229556
  H      6.73759818     -4.32152140     -0.34780149
  H      8.63706360     -3.52432993     -1.19346510
  O     10.49269221     -4.30487959     -4.13113494
  H      5.79254989     -5.47618163     -0.72977022
  H      5.37014087     -7.97659565     -1.33562416
  O     11.29179375     -3.89100240      0.35347246
  H     11.32667785     -4.70774979     -3.85852862
  H      5.59101098     -6.85440445     -2.37672694
  O      5.00174097     -5.97029251     -3.76846170
  H      9.88571817     -5.04052968     -4.27735783
  H     10.53023389     -1.91776942     -1.86484107
  O     11.08943868     -2.25439088     -5.85318866
  H     11.42746648     -3.16988678     -0.28717881
  H     12.00999712     -1.74656780     -2.25410144
  O      9.01262461     -6.66733733     -4.25877997
  H     11.74034813     -3.63499920      1.15484367
  H     13.73319883     -4.60287028     -4.36630279
  O      7.03773854     -5.38565712     -5.61446529
  H      4.75370073     -5.08171618     -3.48528756
  H     13.81726353     -3.05765818     -4.43743899
  O      8.68320461     -6.68382142     -1.52237110
  H      5.60500644     -5.85036989     -4.51384181
  H      8.10543864     -4.51378267     -8.82211255
  O      6.83779057     -2.83011851     -4.44575181
  H     10.82289651     -2.99628631     -5.28531368
  H      8.44020250     -3.67248172     -7.56833289
  O     12.88973500     -1.41292774     -3.91155846
  H     11.67265932     -2.63560087     -6.52196264
  H      7.83897637     -2.17578586     -5.94646491
  O     11.40334113     -7.62658955     -5.36964160
  H      9.78420830     -7.16182783     -4.56060514
  H      9.30856578     -1.99558941     -6.41552436
  O      8.58286651     -4.11250667     -0.42492380
  H      8.94240973     -6.74825281     -3.29682361
  H     10.59731228     -6.61859349     -1.20285391
  O      5.92705527     -7.23131120     -1.54369621
  H      7.41014770     -5.19959344     -6.48357169
  H     11.50064334     -5.53627095     -0.57629283
  O     11.42793995     -1.91683775     -1.50503982
  H      7.69818886     -5.91821670     -5.14428357
  H     10.11317153     -5.42044711     -7.55091483
  O     14.06175400     -3.86637724     -4.90195930
  H      8.65221568     -5.78948232     -1.15246270
  H     11.62794797     -5.12900610     -7.40258184
  O      8.45198037     -4.57473330     -7.93545665
  H      7.77820886     -7.01836027     -1.47725413
  H     12.38364842     -6.56770774     -4.13793621
  O      8.40655004     -2.14696003     -6.72724316
  H      6.05262340     -2.85539632     -3.88473973
  H     12.39658079     -6.09231357     -2.65283157
  O     11.51337359     -6.32446569     -1.13408899
  H      6.91686203     -3.71470541     -4.83201479
  H      9.56445623     -3.18498543     -3.12122221
  O     10.96094254     -5.82268334     -7.32729946
  H     13.23913449     -0.53904240     -4.07201324
  H      8.18351423     -2.51594096     -3.23817334
  O     12.71833248     -5.88414055     -3.54381845
  H     12.22239155     -1.57476186     -4.59852243
  H      5.07900648     -3.67996746     -1.88193278
  O      8.96425384     -2.56805036     -2.67333704
  H     11.25814522     -7.01139745     -6.11272892
  H      3.90208516     -2.84391666     -2.43685006
  O      4.68809044     -3.31662476     -2.69683623
  H     11.66779229     -8.46104487     -5.74678593
  H     13.40040795     -3.84740068     -6.51243928
  O     12.92547135     -3.76369689     -7.35972174
  H      9.43218673     -4.04391204      0.02640222
  H     13.58483218     -3.61588314     -8.03200611
          69
 Energy    -250.46531821957893     
  O     18.95394317      8.44355886     -7.20969988
  H     19.70154813      7.88328177     -7.48824538
  H     17.14801294      9.39111024     -9.64199271
  O     17.84303283      5.22620830     -9.55576362
  H     19.22195352      8.86983210     -6.39999197
  H     17.53664094      9.50949700    -13.28303504
  O     18.48052885      4.14953566    -12.89876327
  H     17.20646362      4.88181494    -10.19369949
  H     16.58894413      9.51864581    -14.50657066
  O     18.75112722      6.83726795    -13.59945439
  H     18.34505239      5.91213500    -10.02304383
  H     19.98692831      3.74427471    -12.15352315
  O     22.64142032      5.57521432    -12.30730680
  H     18.55429779      5.02066744    -13.31232108
  H     20.97091249      2.59761930    -11.84251948
  O     16.02328907      4.60710756    -11.55313511
  H     17.60693648      4.13324521    -12.48924350
  H     12.69098123      7.21431653    -10.52214041
  O     21.41800455      7.45081178    -14.11184615
  H     18.09957642      7.49281942    -13.87131291
  H     13.64880425      6.88339031    -11.68528770
  O     21.01861820      6.93629175     -8.07020257
  H     18.87723795      6.97320421    -12.64634104
  H     14.60127220      8.63021592     -9.32050832
  O     13.96746649      5.96898002     -7.76798774
  H     22.02383216      4.84728782    -12.13035964
  H     15.90814116      7.92881234     -8.87764101
  O     21.90032195      7.73086726    -10.62053551
  H     23.50911413      5.18482957    -12.38249662
  H     15.54328609      7.75791439    -11.16463279
  O     19.13753122      7.26594649    -10.89456030
  H     15.23047804      4.32311232    -11.08250771
  H     15.89302577      7.87642115    -12.67303306
  O     18.09862631      9.57422248     -9.66760451
  H     15.87276892      5.53085477    -11.80473635
  H     22.09067738     10.35455425    -12.97029264
  O     16.91492931      8.96671465    -13.80097552
  H     21.89063827      6.75844791    -13.63515527
  H     21.47968007      8.95604195    -13.23212176
  O     20.85561327      3.54125381    -11.76196712
  H     20.48318122      7.19991355    -14.08444358
  H     17.07514940      6.15356108     -8.27519793
  O     12.83734604      6.59313348    -11.24668526
  H     21.48115040      7.30573837     -8.83256686
  H     17.39789004      7.34536331     -7.34606176
  O     15.54198362      8.55606235     -9.51976656
  H     20.87873238      6.00173487     -8.28100260
  H     12.16645166      8.57582818     -8.31195981
  O     15.46310211      7.31239179    -12.02023494
  H     14.89766842      6.15260696     -7.58039764
  H     13.16582466      7.39437782     -8.38904175
  O     21.48606201      9.70886213    -12.61340887
  H     13.94677882      5.28334880     -8.44676611
  H     18.51919624     10.26574479    -11.34815196
  O     16.67270440      6.80198533     -7.67566296
  H     22.24898435      7.00203644    -11.15062889
  H     19.64485250     10.17248078    -12.40195534
  O     12.83533786      8.18003177     -8.86330038
  H     21.83690510      8.49868518    -11.20304814
  H     20.67984845      4.05593636     -9.87131261
  O     18.70225850     10.34736525    -12.29379575
  H     18.74086117      8.07467395    -10.54628175
  H     19.47487830      4.51031863     -9.05332339
  O     20.43095877      4.37035885     -8.99614685
  H     20.08616944      7.33088727    -10.72711104
  H     12.97053359      3.57823783    -10.12420463
  O     13.63434206      4.26192526    -10.08188791
  H     18.44933851      9.32204354     -8.80378366
  H     13.26226069      5.04299115    -10.53030304
          69
 Energy    -250.46456264672133     
  O     12.92114710      7.04970387     -9.72776288
  H     13.74622485      6.54891828     -9.76392778
  H     14.45124396      7.61797433    -15.13208248
  O     16.70010224      6.25274068    -16.72142173
  H     12.30013930      6.62057466    -10.32902903
  H     16.15503920     10.44168417    -13.08048209
  O     18.62170028      8.33901600    -13.77095859
  H     15.80931512      6.60706947    -16.55633713
  H     17.34393580      9.39378718    -13.07448254
  O     14.82341784     11.45540039    -13.96765996
  H     16.64526772      5.72580001    -17.51451170
  H     15.35494859      8.50949981    -13.13960922
  O     11.70903475      6.43604701    -15.62266923
  H     19.30839605      8.27235035    -13.09578085
  H     13.81761789      8.51108390    -13.10185221
  O     18.10577323      5.06369709     -9.47646668
  H     18.22758176      7.45787737    -13.85178330
  H     11.59952235      5.38352016    -12.21387890
  O     12.51909142      4.63765207    -13.49278090
  H     14.94938956     10.98411373    -14.81243185
  H     10.35800466      5.38532119    -11.29122611
  O     16.11137272      8.83065849    -10.05246551
  H     14.85495814     12.38708086    -14.16718633
  H     19.79289305      7.96084482    -10.83132396
  O     12.80399445      9.97936002    -12.55295596
  H     10.93344488      6.27665206    -16.15382563
  H     21.22623033      8.17990227    -11.37247158
  O     19.27612187      5.23378735    -11.92116476
  H     11.44101097      7.04954566    -14.91426030
  H     15.26027443      5.47637002    -11.74969671
  O     15.29027559     10.04887435    -16.21164599
  H     18.51619264      5.03860066    -10.35973777
  H     14.84167104      6.31856581    -12.96396885
  O     14.29004881      7.37638440    -16.05754308
  H     18.46805554      4.33283605     -8.98339640
  H     18.24647667      8.83104104    -15.55340707
  O     16.58871446      9.74099844    -12.57912759
  H     12.34137736      5.12677499    -14.30465877
  H     17.55962780      8.01843678    -16.65704395
  O     14.57835291      7.99363415    -13.39108319
  H     13.45515145      4.76300879    -13.28351011
  H     17.30003056      5.81512723    -14.99845620
  O     11.10662430      5.91135379    -11.56063179
  H     16.34264460      9.18763384    -10.92372270
  H     16.67948769      5.56450951    -13.59730218
  O     20.35512506      7.88503158    -11.62321175
  H     15.25066238      9.20617846     -9.83620089
  H     18.52494877      6.94335825     -9.30363587
  O     15.09815051      5.42002094    -12.70068443
  H     13.00809620      9.99037615    -11.60809616
  H     17.84104718      8.30570700     -9.54118402
  O     17.81472381      8.91627657    -16.41345390
  H     13.41749982     10.57932962    -12.99641251
  H     11.50458721      8.79131073    -13.19037298
  O     17.50360054      5.78222961    -14.05571131
  H     19.77700244      6.05809160    -11.88715718
  H     10.99431356      7.39207430    -12.76271326
  O     18.70404285      7.87782494     -9.46609594
  H     18.72614401      5.28922410    -12.71341452
  H     16.35966443      5.62274249     -9.75259175
  O     11.04602308      8.00350158    -13.50849408
  H     14.78915541      9.23564131    -16.33838198
  H     15.76563322      7.01372691    -10.07739124
  O     15.55336037      6.06936601    -10.03835598
  H     16.21723755      9.79388125    -16.33253510
  H     13.00089139     10.12248347     -9.05508382
  O     13.40215396      9.68779894     -9.80292845
  H     13.38958256      7.03125845    -16.08102567
  H     13.16498791      8.74302109     -9.74044722
          69
 Energy    -250.46455107015504     
  O     14.91919528      9.51865423    -10.52035495
  H     14.77801954     10.17085386    -11.21753792
  H     17.85784381      4.58678293    -12.06626036
  O     13.22976757     10.83223262    -16.16331477
  H     14.05205091      9.16102527    -10.26846790
  H     12.29580475      7.69517219    -10.69759429
  O     17.16832334     10.39143075    -13.77621455
  H     12.94567785     10.18053733    -15.50990057
  H     13.05379698      7.42812642     -9.36698165
  O     13.23257110      4.82002840    -12.73692687
  H     13.38473464     11.64967212    -15.67322623
  H     18.65377646      7.36528181    -13.82144034
  O     16.38808173      7.97333572     -8.69046548
  H     16.28628269     10.52589129    -13.40152490
  H     18.14201880      7.42828406    -15.27331293
  O     16.57331954     12.39157977    -15.69106290
  H     17.66041726      9.82586706    -13.16732892
  H     15.05044801     12.94329750    -15.01014269
  O     15.66837639      7.38673635    -12.13917557
  H     13.81338202      4.77452467    -11.96345866
  H     14.01556137     14.00332900    -14.55729687
  O     14.53993749     10.87869166    -12.88897949
  H     13.79887804      4.62504006    -13.49057952
  H     12.34001572      8.41621749    -13.46354352
  O     18.25975500      8.30151089    -12.26414125
  H     16.02251520      8.64608137     -9.28225589
  H     13.53455608      8.35446671    -14.43126233
  O     17.81725553      4.37437515    -14.00524162
  H     17.22342284      7.68174597     -9.07245615
  H     15.34075144     10.62482588    -18.53006470
  O     15.17645483      4.48271532    -14.85698240
  H     16.34470077     11.82552627    -16.43875418
  H     14.66470455     10.56964558    -17.13989576
  O     17.82597498      4.72196809    -11.11339659
  H     16.97426379     11.80904415    -15.03157763
  H     10.75355274      6.73527614    -12.39597052
  O     12.66257642      8.12112407     -9.91342242
  H     15.30364331      7.40311009    -13.03192387
  H     12.20506545      6.22626506    -12.53186168
  O     18.60335517      6.85985851    -14.64474439
  H     15.32530997      8.13693655    -11.63307885
  H     14.13972774      6.11164164     -7.41053648
  O     14.16651704     13.06443311    -14.61863674
  H     14.35956572     11.71111808    -13.34146432
  H     15.04888109      6.91320545     -8.37329576
  O     12.87625279      8.95865584    -14.05292961
  H     13.92681588     10.22392600    -13.25373212
  H     14.78170473      5.38864949     -9.83595116
  O     15.51930486     10.49977125    -17.60200299
  H     18.66125129      7.99894364    -11.44238275
  H     15.32036211      5.91220438    -11.19463516
  O     11.66435277      7.01860532    -12.36733465
  H     17.36006854      7.93662061    -12.24809753
  H     19.56959622      6.70736032     -9.33556953
  O     14.26963163      6.32819699     -8.32949627
  H     18.50608665      3.76216408    -14.25239677
  H     18.50778509      6.12198784    -10.29561941
  O     15.09863388      5.10412202    -10.70198189
  H     18.12610916      5.26220396    -14.26494914
  H     14.94679607      6.32263981    -14.95160166
  O     18.81796413      6.94287154     -9.87286035
  H     16.08254393      4.39173596    -14.52092929
  H     15.59256806      7.70821755    -15.29535023
  O     14.86383979      7.27525695    -14.82947956
  H     15.08381329      3.85352856    -15.56867467
  H     16.51161750      9.23755789    -16.66583201
  O     16.92414527      8.70956632    -15.97132229
  H     16.88725885      4.69118036    -10.87956096
  H     17.05245577      9.30803468    -15.21888189
          69
 Energy    -250.46286514514566     
  O     17.49087218     10.55854016    -13.25128504
  H     17.95977801     10.11956680    -12.53089011
  H     15.66854099      8.21345263    -17.16344382
  O     14.21343514      6.76961493    -14.77537881
  H     17.89942488     10.32284035    -14.09981916
  H     17.22741146      4.50992786    -13.57205140
  O     14.85064481      5.78508439    -10.22934510
  H     14.94971685      7.25691720    -14.37079101
  H     16.97356693      3.88313966    -12.19633584
  O     18.87616453      6.56704589    -11.43174719
  H     14.08645398      5.99681388    -14.21011181
  H     18.64045781      8.24552140    -11.12021239
  O     15.73333161     10.10531000    -17.14572234
  H     15.16769336      6.69708431    -10.31922597
  H     19.06556636      9.49669092    -10.31668574
  O     11.68201628      8.58127136    -10.31481169
  H     13.98137863      5.82839294     -9.81284667
  H     16.01264432      7.97062055    -12.47327267
  O     12.61855824      8.85552519    -13.92653557
  H     18.41014405      5.85752298    -10.97379211
  H     16.57552925      8.89105045    -13.57330451
  O     15.73122169      8.32415395    -10.66515674
  H     18.80155052      6.36158468    -12.37418089
  H     16.08785282     11.56186186    -13.00811702
  O     18.45233827      6.99991454    -16.69076562
  H     15.56376762     10.62201404    -17.92910056
  H     15.46669414     12.95232404    -12.72703184
  O     10.38926457      7.68248043    -12.70716841
  H     15.09959957     10.40721909    -16.47124591
  H     11.68210099      5.42600613    -11.06074904
  O     18.12375066      6.09185217    -14.07097833
  H     12.37403509      9.17985771    -10.62173124
  H     12.32715933      5.00038666    -12.39478108
  O     15.78107402      7.25767345    -17.07951018
  H     11.13435570      8.39061239    -11.08744997
  H     13.43007327     10.24340318    -14.84378388
  O     16.70543604      3.83247142    -13.12142125
  H     13.10380722      8.09834465    -14.28571472
  H     14.38995276     11.39147312    -14.46136226
  O     18.42497180      9.18107276    -10.94834862
  H     11.77327597      8.51908840    -13.60607176
  H     17.36992610      3.84767938     -9.62688415
  O     16.21560097      8.01150758    -13.41595116
  H     15.06888614      8.98541782    -10.91528066
  H     16.38818984      4.87711723    -10.22919801
  O     15.24779115     12.03632679    -12.87537968
  H     16.59927571      8.74263818    -10.61987610
  H     14.34496135      5.18270566    -11.94021017
  O     11.50178472      5.31457888    -12.00217782
  H     18.87581475      6.66675308    -17.47693118
  H     14.95406006      4.31805214    -13.04836093
  O     14.02972454     10.90614128    -15.21217017
  H     17.49448231      7.01482272    -16.87229486
  H     12.04713867      7.02868688     -9.60521023
  O     17.26300207      4.46924751    -10.34262905
  H      9.47819600      7.56492302    -12.96132295
  H     11.75541035      5.97375085     -8.51122058
  O     14.14649331      4.79199655    -12.80164531
  H     10.74926252      6.79482384    -12.52705573
  H     17.38384255      9.91877504    -16.25170477
  O     12.22800415      6.11241984     -9.32740502
  H     17.43915982      6.74028644    -13.84855428
  H     18.42593043      8.81770152    -16.00660928
  O     18.16690258      9.70313778    -15.72731858
  H     18.38096217      6.28696151    -14.97927032
  H     13.39979656      9.56223056    -12.43330923
  O     13.76675252      9.98869902    -11.64387696
  H     15.15041281      6.96917042    -16.40768458
  H     14.20112748     10.79409837    -11.94953323
          69
 Energy    -250.46217837326839     
  O     -2.47089713      1.15633683      1.57328663
  H     -2.90623998      0.82405347      2.36998033
  H      0.13422223     -4.17119386     -0.49609162
  O     -3.34715832     -3.53878382      6.92345928
  H     -2.92195198      0.72653446      0.83970599
  H      2.22962440     -0.66111654      4.10697222
  O     -0.91399370     -0.83895654      4.40054249
  H     -2.44878370     -3.43888651      6.56724025
  H      2.59636066     -1.62000947      2.95979564
  O     -3.53783108     -0.26473758      3.77079753
  H     -3.25614150     -3.64924090      7.86671384
  H     -1.14405904     -2.73096903      1.81285529
  O      1.79848492     -3.82101317      5.10755446
  H     -0.22300266     -0.17776160      4.52075919
  H     -0.83628030     -1.40751133      1.09445882
  O     -4.28913425     -5.24740871      4.83226319
  H     -0.80379518     -1.18908648      3.50121507
  H     -3.11780940     -3.44692036      1.55999706
  O     -0.90830542     -3.26128930      5.67286465
  H     -2.63564238     -0.41126400      4.08845235
  H     -2.22402359     -4.54432713      2.22346785
  O      0.89070694     -5.53116172      2.96566458
  H     -4.13159878     -0.63201343      4.44135152
  H      1.99072874     -1.13218583      0.56431483
  O     -6.03978522     -3.64352784      3.53426193
  H      2.10491995     -2.98585369      4.71181356
  H      1.11105529     -1.92602794      1.54959466
  O      1.81601839     -4.50208924      0.43869135
  H      2.50393022     -4.13047116      5.67021629
  H     -4.03722424     -1.48217355      2.52306923
  O     -1.02813097     -1.13022451     -0.81309991
  H     -4.06005972     -4.77657447      5.64341942
  H     -5.03914330     -2.65194205      2.34463869
  O     -0.71220554     -3.85387849     -0.83081517
  H     -3.44383950     -5.45196269      4.41037130
  H      1.58302209      0.66762243     -1.36406085
  O      2.61638021     -1.52546180      3.92088431
  H      0.01780963     -3.52668518      5.61250230
  H      0.45898504     -0.20763745     -0.75952510
  O     -0.65282930     -1.90392947      1.90176211
  H     -0.95408333     -2.37284780      5.28824966
  H      0.92392543      1.18470571      3.37772541
  O     -2.36822812     -4.03815153      1.41214758
  H      1.30121031     -4.96462169      3.63081561
  H      1.46809512      1.75675893      4.70927267
  O      2.01322531     -1.86115361      1.19562231
  H      1.21427356     -5.23494738      2.10730420
  H     -0.68683164      1.44127359      1.71756273
  O     -4.37017788     -2.12998795      1.88363133
  H     -6.89432116     -4.06228536      3.47842792
  H      0.66408538      1.18076629      0.99890134
  O      1.30335411      0.23594294     -0.56132835
  H     -5.43953355     -4.28621050      3.95400416
  H     -4.04594951     -1.19659052      0.38224627
  O      1.23516054      0.94352766      4.27060970
  H      2.00627666     -3.57593268      0.66096414
  H     -4.52015773     -0.45137957     -0.88416508
  O      0.27528659      1.49239843      1.82220777
  H      2.59043453     -4.84387800     -0.00230358
  H     -5.55033056     -2.33342800      4.90545707
  O     -3.75262327     -0.62132873     -0.34373301
  H     -1.97430200     -0.94579430     -0.79242982
  H     -4.53090659     -2.28679736      6.05751376
  O     -5.09191580     -1.73056563      5.50309184
  H     -0.91247796     -2.08707283     -0.93209595
  H     -1.50315694     -4.54713752      4.43696359
  O     -1.69162929     -5.24470398      3.79546626
  H     -1.36170521     -4.07206627     -0.14641067
  H     -0.82650633     -5.52743158      3.46220812
          69
 Energy    -250.46124022760176     
  O     14.46720424      9.79354606    -10.51513923
  H     14.19311600     10.35238095    -11.25375543
  H     15.03288273      4.36983030    -16.31189783
  O     13.55696146     10.77204624    -16.38923331
  H     13.76521703      9.15581446    -10.30940996
  H     12.38911905      7.41142557    -10.88504917
  O     16.83490104     10.85485923    -13.35429641
  H     13.11061380     10.16123208    -15.79028448
  H     13.34067705      7.01022940     -9.71666094
  O     13.17731424      4.94611754    -13.31239050
  H     13.55680100     11.62582854    -15.93807831
  H     18.38109113      7.58910700    -14.59381378
  O     16.97807103      7.30732048     -8.92224060
  H     17.33855545     10.76513568    -12.53207368
  H     19.67352565      6.74792301    -14.61218506
  O     16.54634093     12.64905698    -15.47280602
  H     15.89645000     10.87888115    -13.13163972
  H     14.89804382     13.08759527    -15.06420470
  O     15.62102334      7.75041425    -12.13561583
  H     13.87026284      4.86322550    -12.64215238
  H     13.70767555     14.06115883    -14.88148856
  O     14.02140017     11.07304574    -12.90476100
  H     13.62983162      4.86114300    -14.15856003
  H     12.22231142      8.43946298    -13.71277843
  O     18.27591777      7.56530477    -11.45627431
  H     16.87309917      8.25102577     -8.74617842
  H     13.50640303      8.52105406    -14.56323491
  O     18.21137037     10.35012086    -11.04925628
  H     17.57146732      7.24832723     -9.68114351
  H     16.11246373     10.45445926    -18.24125206
  O     16.99467987      4.64742348    -13.81293479
  H     16.52949177     12.01402304    -16.19821741
  H     15.18890104     10.48613588    -17.00323817
  O     14.96699097      4.94834986    -15.55789368
  H     16.80987806     12.13863078    -14.69286462
  H     10.69978223      6.74348007    -12.58032125
  O     12.79049072      7.72272402    -10.06486522
  H     15.31940342      7.78637315    -13.05134518
  H     12.13818057      6.26559908    -12.88374993
  O     18.83653245      6.84729694    -14.16396787
  H     15.19722065      8.45170810    -11.62768641
  H     14.58813069      5.41635886     -8.07766844
  O     13.95583486     13.14296806    -14.82254143
  H     13.52542995     10.37711857    -13.36061822
  H     15.50839327      6.35684791     -8.88740887
  O     12.73212487      9.03236090    -14.27680009
  H     13.92297673     11.87326092    -13.43404796
  H     15.42970551      6.02580786    -11.76087263
  O     16.11856449     10.42932598    -17.28800526
  H     17.33675734      7.67138223    -11.68117179
  H     15.13032073      5.06993615    -10.60689276
  O     11.60907529      7.03220369    -12.59906364
  H     18.68928835      7.26477136    -12.27165488
  H     14.97610758      6.73677986    -15.18023184
  O     14.68533687      5.83663292     -8.92795480
  H     17.73343206     10.40221806    -10.21315691
  H     15.82773521      8.05037917    -15.10087735
  O     15.34425273      5.08298926    -11.54626696
  H     18.41916062      9.41299107    -11.16581887
  H     16.26632455     10.70622430     -8.06711578
  O     14.98565662      7.64619532    -14.85642408
  H     17.64944166      5.35418587    -13.85559900
  H     15.74279458     10.04538620     -9.36521103
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  H     16.58048212      4.68720493    -12.94023103
  H     17.09704957      9.41103224    -16.06862436
  O     17.39436056      8.96269952    -15.26623446
  H     15.72844581      4.75305359    -14.98047340
  H     17.26889681      9.59670693    -14.54171680
          69
 Energy    -250.46049582473231     
  O     10.40418254     10.04134940    -12.16818354
  H     11.21229240     10.52783314    -12.37754363
  H     15.33039349      7.17535385    -16.65760927
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  H     17.71342684      6.99648374    -16.42720127
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  H     13.66270145      6.80250810    -14.73059380
  H     19.16955240      6.49230624    -16.56833250
  O     18.28141940      9.83511390    -15.71771193
  H     13.27491185      8.10657600    -15.49005338
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  O     12.27848692      9.61633273    -15.26505969
  H     17.59035138      9.28316491    -10.92554849
  H     15.09023227     13.59227249    -14.18187982
  O     15.58126944      5.85901605     -9.86456177
  H     18.01073194     10.65638876    -10.35538281
  H     15.10984674      8.25671259    -14.44620185
  O     13.32827873      5.94358313    -13.15000310
  H     17.70332832      9.96503564    -16.48135453
  H     16.09830916      9.41220787    -14.02980667
  O     14.72522066      9.57708756    -11.41053693
  H     18.52248971      8.90170897    -15.73190029
  H      9.96773074      7.86514519     -9.90593742
  O     16.37438144     10.02262674    -17.82185106
  H     11.36558885      9.31704107    -15.17290857
  H     10.54304177      8.68460620    -11.08595982
  O     15.69197713      4.69116627    -12.52045945
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  H     16.89163720      7.27766881    -13.49981678
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  H     14.75826098      6.33330425    -10.06845960
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  H     10.51719739      6.81592215    -12.22390761
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  H     11.46389763      6.15703259    -13.24658647
  O     14.85405935     12.66907610    -14.21654532
  H     13.31929844      6.46898468    -12.33953967
  H     17.03280447      7.00368739    -10.38746485
  O     15.68330862      8.59064471    -13.74479952
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  H     17.83705983      7.17103342    -11.68734656
  O     10.63877220      7.85564959    -10.58301552
  H     15.53814550      9.94135300    -11.04473218
  H     13.50535008     10.60757016    -16.26046803
  O     17.57508304      6.59478268    -13.41726278
  H     16.43381415     10.39778001    -18.69640280
  H     14.44992995     11.74645580    -15.82893860
  O     10.57084730      6.50990215    -13.13738095
  H     15.59981326     10.43057795    -17.39550748
  H     12.43579969      7.48699068    -10.51620961
  O     17.69671348      7.55932895    -10.81213140
  H     16.40623062      5.20962413    -12.91530137
  H     13.80736126      8.16637940    -10.82065557
  O     14.26930066     11.12578424    -16.54463903
  H     15.70952629      4.91559566    -11.58255484
  H     13.48227776     11.73044664    -13.33696979
  O     13.37625607      7.31595011    -10.64927675
  H     17.29066711     10.83391499    -12.82002771
  H     13.50432296     10.57420782    -12.31610124
  O     12.92962425     11.05114451    -12.93132059
  H     17.62409388     10.74217329    -14.36071077
  H      8.93939046      8.45417997    -15.05336107
  O      9.75136915      8.64450259    -14.59215021
  H     16.17332113      8.17245801    -17.48099387
  H     10.01786276      7.82443291    -14.13784937
          69
 Energy    -250.45972457787610     
  O     13.47171965      7.76719224    -11.10486055
  H     13.68286895      8.55272662    -10.58536598
  H     17.66865762      7.02738235    -15.24525351
  O     16.21272845      5.07455962    -12.33708545
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  H     16.00858931      9.87152614    -15.58193446
  O     14.82937988     11.55298570    -12.00074755
  H     16.09731863      4.71670410    -13.22369418
  H     16.31264464     11.28110879    -15.03581284
  O     17.27002016     11.81704847    -13.49650772
  H     16.16791628      6.03904135    -12.42771830
  H     16.47912426      8.27037441    -11.78383763
  O     10.97428051      8.44928808    -15.95371657
  H     15.67713043     11.70083044    -12.43537029
  H     15.03222234      7.85441330    -12.11179450
  O     17.35427504      6.58809746     -8.80707632
  H     14.21771576     11.28320373    -12.69964850
  H     15.60049814      5.97647000     -9.42695486
  O     13.39531829     10.61980856    -14.19532876
  H     17.82270996     12.59294030    -13.44655851
  H     15.21490245      5.26154308    -10.72739132
  O     13.76445475     10.30461026    -17.62149123
  H     17.78961322     11.08462082    -13.11960866
  H     17.84921187      5.25908500    -11.48440986
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  H     19.07015465      6.18876377    -11.62601780
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  H     20.67041085      7.19397114    -13.28102894
  O     15.76003758     10.80624962    -15.66815643
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  H     19.24682265      6.86679487    -13.77931438
  O     15.93264468      7.85682290    -12.46204088
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  H     16.23565530      9.41524020     -9.91434064
  O     14.83971845      5.68395313     -9.94250753
  H     12.99493013     10.73199365    -17.22490493
  H     17.20396553      8.24011204     -9.60000701
  O     18.59942362      5.62870844    -10.99762881
  H     14.52621402     10.57670972    -17.09351794
  H     12.89920517      7.49518540    -18.79635932
  O     18.64403439      9.80499204    -12.30740956
  H     15.24525288      5.10004853    -15.30627086
  H     13.32887592      8.62540084    -17.83224932
  O     19.74850133      7.25709596    -13.04239980
  H     15.72389128      3.65083974    -15.54007105
  H     14.11632796     10.60777988     -9.09129352
  O     17.09024483      9.02951023    -10.14547522
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  H     14.59422032     10.66223863    -10.56414222
  O     12.99752628      7.71017972    -17.87274740
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  H     10.65194341     11.65036059    -16.27156054
  O     14.48861480     10.07736964     -9.79032777
  H     13.60257426      6.87055293    -14.92936908
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  O     11.43549938     11.12402958    -16.14120074
  H     13.73030939      6.77174418    -16.47667970
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  O     12.70415596      7.94643612    -13.76313719
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  H     12.78017019      7.78142819    -12.81462154
          69
 Energy    -250.45908025113874     
  O     -1.41954164      4.23706576      5.66875836
  H     -1.08449326      4.20833299      4.76093346
  H     -2.11431942      3.27250566     -0.21194812
  O      0.56609522      1.43220934      0.19209341
  H     -1.05020423      3.45955975      6.10426405
  H     -4.56081145      4.59943287      6.07499769
  O     -1.22436690     -0.86627953      2.98894915
  H     -0.16922278      1.90895349     -0.21020509
  H     -3.15266550      4.15368698      5.60877739
  O     -3.29552743     -2.27210222     -1.97691538
  H      0.33271219      0.49452866      0.16166228
  H     -1.91927928      4.24160224      1.75826305
  O     -0.46857492     -1.15985441      0.36827682
  H     -1.61435094      0.02230831      2.96660912
  H     -3.44307130      4.01725501      1.61255504
  O     -4.99630392     -0.76092522      5.27608846
  H     -1.96777841     -1.46339809      3.14153477
  H     -4.55235741      3.56927100      3.73144757
  O     -5.96505139      0.85298494      3.02884430
  H     -2.55758683     -2.79199574     -1.63463806
  H     -5.23945640      2.47567685      2.86416694
  O     -0.61709097      1.66267215      6.67859999
  H     -3.14415957     -1.36855734     -1.66676017
  H      0.21567127      3.34291975      2.86203156
  O     -2.77320031      0.11243079     -0.55486064
  H     -0.62480425     -2.06384801      0.07033981
  H     -1.23189569      2.88447497      3.13475933
  O     -4.84605175     -0.77650357      1.05133992
  H     -0.65136169     -1.13116336      1.32002802
  H     -4.05818185     -1.64950578      2.44532433
  O     -3.40470471     -4.14040309      1.21523345
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  H     -4.12579882     -1.81718096      3.97679461
  O     -1.76920728      2.69936709     -0.91914394
  H     -5.52209085     -1.03755161      6.02268069
  H      1.32811303      1.95196270      1.64204342
  O     -4.10166255      3.93372286      5.56997574
  H     -5.68072066      0.31882327      2.27330458
  H      2.60166608      2.49827226      2.32926416
  O     -2.64350977      4.24055619      1.11793167
  H     -5.76448980      0.32324753      3.80749279
  H      1.06805595      1.12065664      3.87876531
  O     -4.64493644      3.24166969      2.82849580
  H     -0.10251608      1.47184915      7.45815435
  H      0.10274580     -0.07162596      4.05983566
  O     -0.67017015      3.67129000      3.05474729
  H     -0.13662231      1.27318864      5.92557308
  H     -2.39998968      1.34623725      6.34144123
  O     -3.68354441     -2.14960761      3.18723083
  H     -1.97383934     -0.31972778     -0.22098905
  H     -3.66944340      2.16240477      5.94222193
  O      1.69376726      2.25822886      2.49236136
  H     -2.53211383      1.02727924     -0.74170836
  H     -6.16736812     -3.38374218     -1.02059545
  O      0.63334125      0.57395067      4.54481118
  H     -5.20576776     -1.51354827      0.54263286
  H     -4.73265587     -2.81037678     -1.12888042
  O     -3.29593736      1.27098381      5.98581598
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  H     -3.21074483      2.04649839      2.92235665
  O     -2.46653528      1.54814219      3.28274348
  H     -1.75541246      3.22524906     -1.71450791
  H     -2.68935853      1.38763157      4.20852543
          69
 Energy    -250.45902575183163     
  O     -0.24009025      0.61874668      1.68105735
  H     -0.32238818      1.02578029      2.55327016
  H      3.20163920      1.00826968      3.13121991
  O     -0.57477392     -1.38418319     -1.16438351
  H     -0.21736342     -0.33425942      1.83118033
  H      1.87246366     -3.54492829     -0.12676090
  O      3.41626718     -1.65786970      1.87358895
  H      0.17372322     -1.84118528     -0.76725307
  H      2.24931706     -2.31831528      0.73028694
  O     -3.10912478     -1.27539249     -0.27720871
  H     -0.22914344     -0.55763724     -1.53324304
  H     -0.55599833      4.63310747      3.29016685
  O      1.80405213      4.12341662      1.21532703
  H      3.73447817     -0.74798763      1.92129911
  H      0.79299742      4.09653903      2.76881232
  O      0.45949831      1.05083410     -2.01282228
  H      3.05263793     -1.84313392      2.74858137
  H      3.33033285      3.77393230      4.22977060
  O     -2.81087698     -1.40242413      2.57275612
  H     -2.19724290     -1.36791766     -0.61356020
  H      1.85870787      3.89499952      4.65732263
  O     -2.10128840      5.24823551      2.43819752
  H     -3.66686604     -1.79389871     -0.84985854
  H     -0.79705490      4.56078844     -0.54471702
  O     -3.17832672      0.75988500      4.18064525
  H      1.10431723      4.61255034      0.75815500
  H     -1.07168899      5.26650705      0.80735403
  O     -0.49215834      1.58002487      4.25327212
  H      1.83713132      3.24226352      0.81661161
  H      2.22167314     -2.29459816      5.17559377
  O     -0.08841638     -2.09344310      2.46950797
  H      1.12692291      1.23461858     -1.33713994
  H      2.10311498     -0.87905087      4.56770508
  O      3.79387497      1.10177825      2.37174747
  H     -0.11629800      1.82288393     -2.02268955
  H     -1.63805855      1.15522139      0.67655874
  O      1.51623563     -2.74606173      0.25410175
  H     -1.91927381     -1.77115178      2.63381760
  H     -2.84654621      0.55032963     -0.06051961
  O      0.23389542      4.14670847      3.55741822
  H     -3.02079432     -1.39459233      1.63109792
  H      1.15050908      1.17297048      0.74599621
  O      2.71610425      3.55301397      4.94093702
  H     -2.70405187      5.94774935      2.67526667
  H      2.68167214      1.29259534      0.89358273
  O     -0.43047270      5.18906345      0.09051908
  H     -2.62216815      4.42570270      2.40576425
  H     -1.89097131      2.55815063     -1.03176027
  O      2.01694698     -1.82730628      4.36961428
  H     -3.07745909     -0.01872813      3.60375082
  H     -2.12566852      3.34702417     -2.34073940
  O     -2.43846318      1.39006771      0.18188306
  H     -3.77738314      0.50661981      4.87785716
  H      2.46608616      1.74912300      4.93575480
  O      1.94690751      1.51475898      0.30933231
  H     -1.43243848      1.38783061      4.34737810
  H      1.16745807      1.01689165      4.57393262
  O     -1.48557246      3.18919984     -1.65048469
  H     -0.36658891      2.52596198      4.08361769
  H      3.38446143      4.10709892      2.01111212
  O      2.12191913      0.88296463      4.67447470
  H      0.37215206     -2.45875038      1.70251586
  H      4.85248304      4.54946272      2.21204194
  O      4.20014857      3.92030567      2.50846651
  H      0.55802273     -2.04877144      3.18523706
  H     -3.45134182      2.22669914      3.01079651
  O     -3.42063215      2.89565365      2.31726062
  H      4.12759317      2.00630950      2.40727567
  H     -3.18510006      2.41617273      1.51135523
          69
 Energy    -250.45865371702808     
  O      0.64405998      1.77389116      1.07315638
  H      0.23946193      2.06230365      0.24601228
  H     -3.54051516      4.41434402      3.56676931
  O     -1.12993474     -0.51258676      3.43451743
  H      0.58196135      0.81092229      1.07654808
  H     -2.47109003      4.19193650      0.67182907
  O     -4.18253287      0.79128460      0.22781628
  H     -1.88252484     -1.11338194      3.53572308
  H     -3.61714873      3.86333692     -0.30581444
  O     -2.23006088     -2.85068925     -1.35898919
  H     -0.68101244     -0.74693282      2.61168279
  H     -5.60417474      3.44263538      3.07833374
  O     -0.06780631     -0.97019560      0.91607939
  H     -3.76358908      1.02690244      1.07294483
  H     -6.34516544      2.10681052      2.77412156
  O     -5.02263826     -0.42700047      5.18580659
  H     -4.65658134      1.57514255     -0.07148260
  H     -2.41645522      3.06268449      2.44661424
  O     -6.84173698      0.35302545      3.36831452
  H     -2.14655544     -1.88822077     -1.39815923
  H     -1.23264017      3.99170899      2.77438353
  O     -1.89160829     -0.07143502     -1.02300074
  H     -3.08757780     -3.03871474     -0.95765796
  H     -5.70851169      3.20383935      0.74398748
  O     -5.40046062     -1.27117140      1.53993553
  H     -0.71889552     -0.67449838      0.26322924
  H     -6.16515185      3.59395228     -0.68279564
  O     -2.57489536     -4.22933450      2.04544052
  H      0.02241852     -1.92230314      0.78871543
  H     -3.09926177     -2.89798182      3.14400049
  O     -0.73966226      2.48037806     -1.33239000
  H     -4.49923966      0.36268932      5.38531723
  H     -4.07105657     -1.73945584      2.84091143
  O     -4.32470512      4.42630900      4.14148631
  H     -4.41731839     -1.07701584      4.80711063
  H      1.32295231      3.82689512      3.36396037
  O     -2.67261049      4.05339188     -0.26314326
  H     -7.72557465      0.22521497      3.70354590
  H      0.58282980      2.81219290      2.46168881
  O     -6.11316838      2.96978659      2.40996939
  H     -6.23269822      0.07719139      4.07805721
  H     -0.81097990      0.85337650      4.66999856
  O     -2.15800576      3.99674199      2.49917334
  H     -1.45426406      0.75003618     -1.27812182
  H     -0.34335443      2.31549675      4.59026455
  O     -5.42153019      3.26475122     -0.18565480
  H     -2.73955038      0.19037543     -0.63575078
  H     -3.84764448      2.84091788      5.11600586
  O     -3.43340580     -2.05825670      3.49218182
  H     -6.01285355     -0.81324742      2.12744731
  H     -2.60676105      1.91547645      5.35227453
  O      0.47328283      3.42139111      3.21475512
  H     -5.00362687     -0.58185135      0.98595386
  H     -5.34735539     -4.02813889     -0.15612849
  O     -0.84075922      1.69964211      5.13978544
  H     -1.73673897     -4.12451616      1.57967646
  H     -4.96746977     -2.74746570      0.61651203
  O     -3.57509408      1.93161584      5.27869189
  H     -3.26034256     -4.13195508      1.37251403
  H      0.26987827     -4.37687146     -0.04497931
  O     -4.60342298     -3.49667523      0.11742132
  H     -1.44390653      3.05968658     -0.99061082
  H     -0.95183669     -3.47209281     -0.34084081
  O     -0.29938546     -3.71671435      0.34113358
  H     -0.34813371      2.93270530     -2.07493480
  H     -3.38388886      1.50792372      3.45563676
  O     -2.97955165      1.35796521      2.59148776
  H     -4.42139269      5.32087443      4.45805283
  H     -2.24595906      0.75062127      2.75836005
          69
 Energy    -250.45851952480791     
  O     12.08938307     10.08360130    -14.68818546
  H     12.68358574     10.83849750    -14.76365050
  H     15.85112872      5.32171933    -14.60453680
  O     16.28681583      6.18292254    -13.06186328
  H     12.46051535      9.39835671    -15.26194216
  H     18.98721535      8.27597015    -12.79884580
  O     17.05314828     10.32145617    -10.80574778
  H     17.18044292      6.51346720    -12.90033424
  H     18.95762410      7.16956399    -13.86243161
  O     17.77005831      9.90935682    -15.14850854
  H     15.74845640      6.33882126    -12.27384039
  H     16.58464981     10.73401489    -16.29104390
  O     12.74698950      5.47698106    -15.34851941
  H     16.39846445     10.54410839    -11.48350626
  H     15.58759993     10.15198471    -17.30170161
  O     15.33767199      9.58145370     -8.77645942
  H     16.55058214     10.19241510     -9.98829145
  H     15.75341109      7.68236692    -13.90757144
  O     14.51380262      6.76778158    -10.99293253
  H     16.99431084      9.39782769    -14.86577550
  H     14.77114011      8.37685886    -14.90231931
  O     15.08063302     10.69970103    -12.71756734
  H     18.24164831     10.15590405    -14.34441589
  H     11.47291504      9.34306341    -13.25575299
  O     16.90162125      6.24194609    -17.47061751
  H     12.05500710      4.85855277    -15.56532691
  H     10.25476969      9.07296661    -12.33917600
  O     16.03836669      6.76259906     -8.64178487
  H     12.61212781      5.73468442    -14.41742724
  H     18.43453486      7.36159210    -11.04532211
  O     18.88048593      7.36558140    -15.67083288
  H     14.55886686      9.56345674     -9.34973095
  H     17.70617740      8.56410085    -10.42325346
  O     15.54744125      5.06045765    -15.48558049
  H     15.51368630      8.66125576     -8.54778070
  H     13.10428940      6.30975188    -12.15832470
  O     18.84813903      7.32711297    -12.91232814
  H     14.18871954      7.67924650    -10.97275434
  H     11.91762961      7.14135445    -12.69186589
  O     15.77318792     10.93858145    -16.77840732
  H     14.94608561      6.61927657    -10.14303016
  H     19.87541108     10.61909190    -12.35302480
  O     15.51225844      8.52866115    -14.30432270
  H     15.21909185      9.88819569    -13.23175428
  H     18.41880717     10.32327949    -11.93161005
  O     11.17924229      8.87150786    -12.45494414
  H     14.76669241     11.35292492    -13.35192572
  H     13.94726882      8.14071773    -16.90649529
  O     18.02456234      7.67234238    -10.23024920
  H     17.30069426      5.56100719    -18.00643486
  H     13.14823869      7.16774963    -15.97017296
  O     12.40235913      6.31684117    -12.82106231
  H     16.41086830      5.78677114    -16.76099129
  H     13.96658244      9.91570152    -11.51081224
  O     19.07533524     10.18174906    -12.63412345
  H     16.82278436      7.00945467     -9.16595044
  H     12.59496903      9.23619704    -11.30039478
  O     13.40051535      8.08945208    -16.11293618
  H     16.34499577      6.20723667     -7.93075278
  H     13.98791947     13.02529831    -15.19940304
  O     13.46081111      9.36614815    -10.89516557
  H     18.26951532      6.94999052    -16.28771235
  H     14.67626839     11.71538345    -15.64231681
  O     14.10321998     12.10932145    -14.96092193
  H     18.61625708      8.29551685    -15.63744632
  H     15.23091329      8.41232797    -19.10909194
  O     15.30039626      8.39826566    -18.15716108
  H     14.58408183      5.08871383    -15.45680701
  H     15.91125926      7.67705219    -17.93442543
          69
 Energy    -250.45735572968158     
  O     -1.73345579      4.50053897      4.59962992
  H     -1.93606342      5.33806222      5.00693626
  H     -3.15444144     -2.71112948      2.97463063
  O     -1.50891185      3.52815200      1.93135811
  H     -0.77303977      4.36384443      4.69622950
  H     -0.45840728     -1.19748254      2.65060091
  O      1.19436309     -3.28635496      1.53010816
  H     -1.67413629      3.99821481      2.75697661
  H      0.35295193      0.08164278      2.37378261
  O      2.12127342      0.35260990     -0.78070730
  H     -1.97413562      2.68391640      2.00574945
  H     -5.18030593      0.19788396      0.56110752
  O     -0.41685304     -0.77243984     -0.63358007
  H      0.79321832     -3.17402713      2.40275861
  H     -3.80634732      0.41420130      1.23694832
  O     -2.72716672      1.05463539      2.48010613
  H      1.84653802     -2.58221759      1.43622807
  H     -1.17603338      1.50219786      5.16056740
  O     -2.37805087      1.06524100     -1.39599223
  H      1.23682149     -0.02533600     -0.88822800
  H     -2.15725700      2.68838528      5.05786055
  O      1.68456680      3.16666126     -0.85477401
  H      2.02171291      1.30848305     -0.85629979
  H     -0.01328701     -2.28058676      4.69867422
  O      3.11418529     -1.11311133      1.23660042
  H     -0.57215740     -1.71962215     -0.72344444
  H     -1.21760700     -2.82751835      3.89642449
  O     -2.56855569     -0.91652578      6.01886981
  H     -0.43995955     -0.59870155      0.31955104
  H     -0.11547695     -3.48319121      0.38448649
  O     -3.15134217     -2.55230098      1.26608150
  H     -2.67871713      1.27466119      3.41907462
  H     -0.80543282     -4.30129549     -0.73321177
  O     -3.07349399     -2.82930530      3.93819048
  H     -1.94455421      0.50982382      2.29927742
  H      1.22060726      3.74857706      3.79716125
  O     -0.45365736     -0.38762145      2.12548798
  H     -1.67533504      0.41349796     -1.26380385
  H      0.91488115      2.96005077      5.08797858
  O     -4.25653741     -0.03256224      0.49892951
  H     -3.12005250      0.73758896     -0.87690483
  H      2.45909919      0.14013722      2.43141137
  O     -2.11731149      1.72572716      5.09970650
  H      2.07005775      3.78009188     -1.47407735
  H      1.84371445      1.58922838      2.53402898
  O     -0.27495203     -2.62171366      3.83491569
  H      0.71635348      3.25530241     -0.93822493
  H      0.23066323     -1.86380145      7.26420741
  O     -0.87795393     -3.50005494     -0.22184405
  H      2.81561804     -0.59853433      0.46352289
  H     -0.90917299     -1.29929141      6.37799459
  O      0.89662543      3.84583871      4.70162975
  H      4.02559924     -1.34455578      1.07798375
  H      0.54334115      0.25182554      5.82980963
  O      1.92839888      0.73214674      2.97835236
  H     -2.86694795     -1.45373943      5.27426935
  H      1.13817010      0.91115520      4.56279006
  O      0.05046565     -1.46885293      6.41547856
  H     -2.60993067      0.00856368      5.74343825
  H     -1.27381450      3.60529042      0.03750458
  O      0.61378294      1.08992323      5.35832115
  H     -2.43413225     -2.86242846      0.70113264
  H     -1.52111655      2.62993043     -1.13426999
  O     -0.99309665      3.39495534     -0.86090538
  H     -3.51897238     -1.75540047      0.86543053
  H      0.32400126      3.28072060      1.92251559
  O      1.28817324      3.19031211      1.92954764
  H     -3.63033320     -3.56935462      4.16692635
  H      1.56850452      3.26480491      1.00909279
          69
 Energy    -250.45527354916143     
  O     12.05735036     13.28852088    -12.35125328
  H     11.22864992     13.74067386    -12.21768618
  H     12.44891312      9.74902276    -14.92784659
  O     17.82074285     11.57702218    -12.15774492
  H     11.91506033     12.35869497    -12.10069557
  H     15.22988665     10.00734294    -13.39571094
  O     12.09879658      7.64733547    -11.73986013
  H     17.73122691     12.50677039    -11.92392825
  H     14.86074829     11.52675585    -13.54649058
  O     14.80181070      7.00443265    -11.39140074
  H     16.95439211     11.31999472    -12.51539536
  H     14.00452053     10.66170256    -16.50348596
  O     17.44801093      6.47060442    -12.13584948
  H     12.03650985      7.88695084    -12.67364010
  H     12.65653566     10.95414924    -17.20289737
  O     13.86110673     12.79092360    -14.44077414
  H     11.81060705      8.44453986    -11.28625072
  H     16.98212878      8.80318137    -10.01740495
  O     17.31738923      8.42708767    -15.35574598
  H     15.14171680      7.55940380    -10.67852755
  H     16.41867962      8.39525176     -8.63917813
  O     18.34282628      9.03841551    -11.15110519
  H     13.84172760      7.12112235    -11.41842575
  H     19.92551191      7.69512555    -13.61288051
  O     15.70481559     10.36439102    -16.69436434
  H     17.74140819      7.32702624    -11.79930106
  H     19.94997598      9.23099445    -13.69706483
  O     18.85104666      6.26810715    -14.43555448
  H     16.52268604      6.39349382    -11.87472343
  H     15.46514862     13.67816376    -14.57463240
  O     17.68590151     12.39924326    -16.34932135
  H     13.16954552     13.02603874    -13.80920443
  H     16.62358675     14.12694075    -13.65666871
  O     12.43421150      9.19316207    -14.14149385
  H     13.47352280     12.23354955    -15.12789317
  H     17.24718318     15.00908289    -11.31154484
  O     15.35576366     10.88809432    -13.01993421
  H     17.86000972      9.16686821    -15.04671306
  H     16.06324532     14.01976840    -11.39985117
  O     13.07139286     10.89785657    -16.34629747
  H     17.83972069      7.62887429    -15.20958911
  H     14.50086571     12.61132866    -10.46746965
  O     16.16072717      8.68437953     -9.51131540
  H     19.10386222      8.78832544    -11.69598664
  H     13.67062985     13.61133149    -11.28304595
  O     20.18968839      8.48652773    -13.12911212
  H     18.16773456      9.96217165    -11.38017152
  H     18.61650645     10.99833563    -13.70365670
  O     16.38795276     13.96861134    -14.57779088
  H     16.33912594     11.09069436    -16.65210859
  H     18.61918968     11.22500653    -15.22905909
  O     16.93899660     14.23136861    -11.76907842
  H     16.18146295      9.58673619    -16.37990757
  H     12.13931325     10.16916758    -12.55917850
  O     14.49471145     13.52205269    -10.79177851
  H     19.12830529      5.37845817    -14.63480838
  H     12.77216887     10.59422374    -11.19641642
  O     18.89478142     10.60470292    -14.54280921
  H     18.32889082      6.22427892    -13.61318174
  H     14.98590565     10.08056906     -9.98771928
  O     11.96443040     10.63705376    -11.72938589
  H     17.25390647     13.00057644    -15.71598428
  H     14.78213039     10.78034077    -11.35289561
  O     14.43864771     10.72699494    -10.44566615
  H     18.05870597     12.94506845    -17.03650401
  H     15.05634369      7.78412777    -13.05155997
  O     14.99901880      8.29795952    -13.86731484
  H     13.31975763      8.79817410    -14.10316149
  H     15.82426375      8.20432319    -14.36044926
          69
 Energy    -250.45367889805766     
  O     12.68145270     12.25410256    -10.81917360
  H     11.82101258     12.67653052    -10.93680329
  H     14.23763566     15.42137649    -15.07500089
  O     12.80634051     12.88751799    -16.23560602
  H     12.71701036     11.50336762    -11.43065386
  H     13.68490792     13.52455168    -11.73501507
  O     12.70366657     10.11917421    -12.61240918
  H     11.85149766     12.76240499    -16.16918899
  H     14.82760676     13.30084242    -12.74066581
  O     17.74584860     10.67090244    -12.37267500
  H     13.02755621     13.63694902    -15.66365290
  H     16.41736386     16.41475059    -16.12519023
  O     10.26699144     13.45389820    -11.53058390
  H     13.03861765     10.26890124    -13.50935846
  H     16.55074722     15.03409985    -15.44396354
  O     10.16811286     11.17501412    -13.29122764
  H     13.24572071      9.41000618    -12.24556427
  H     16.29999030     11.47117713    -13.15679863
  O     13.80521733     10.58989251    -15.08983166
  H     18.24317444     11.48734966    -12.25555607
  H     15.05761469     11.47824559    -14.11465518
  O     16.55942663     13.88218156    -10.56637425
  H     17.33502234     10.44596850    -11.52120012
  H     14.27165027     13.26481827    -17.37817809
  O     10.09176612     12.57159055    -15.62407958
  H      9.55395567     13.88773999    -11.06997756
  H     15.37416804     14.32846320    -17.24643109
  O     17.50876818     13.75191149    -14.63172745
  H     10.45168107     13.98613889    -12.32560006
  H     15.23399406      8.28902965    -12.49048989
  O     17.14169064     11.85354305    -16.80710044
  H     10.95746181     10.67227080    -13.05146730
  H     14.50479431      7.28983848    -11.56299307
  O     13.45349731     15.08732020    -14.62393423
  H     10.07880785     11.86160906    -12.61913742
  H     17.08839277      9.20561064    -13.31512999
  O     14.33187156     13.99482731    -12.27434402
  H     13.46601677     11.35270470    -15.58001098
  H     16.36350073      8.79662186    -14.61966438
  O     15.92873648     15.62764754    -15.89767175
  H     14.45186107     10.12973261    -15.63939882
  H     16.14361852      8.91175369    -17.15061407
  O     15.65125192     12.03482214    -13.59823506
  H     16.13770689     13.28483303     -9.93884888
  H     16.47935504     10.28590662    -16.52644689
  O     15.13578033     13.52428033    -17.72312810
  H     15.84099107     14.15350935    -11.15347101
  H     15.75447149     10.64135231     -9.75864793
  O     14.58521479      8.21819080    -11.76624535
  H      9.30433501     12.35804026    -16.11704245
  H     15.62779722      9.34707302    -10.60083790
  O     16.46674382      8.56581605    -13.68947993
  H     10.09796962     11.99573517    -14.83858599
  H     11.62822691     15.03130378    -14.14062806
  O     16.01301141      9.44439156    -16.37084970
  H     16.78577323     13.15342359    -14.38249079
  H     10.44420431     14.12886729    -14.54415733
  O     16.26450278      9.95245053    -10.20130586
  H     18.10052511     13.74660293    -13.87161683
  H     19.54334339     13.63932968    -11.64369592
  O     10.74724861     14.74592722    -13.86643050
  H     17.53461009     12.42992677    -16.14483262
  H     18.00562616     13.56013965    -11.50588539
  O     18.75552891     13.33313939    -12.08502970
  H     16.46100982     12.38935933    -17.24341844
  H     14.01728215     12.16532895     -9.63005064
  O     14.81053387     12.11164590     -9.07160922
  H     13.74925965     14.78506581    -13.75115486
  H     14.51514816     12.20180524     -8.16879082
          69
 Energy    -250.45309810505083     
  O     15.80147714      3.65229848    -11.00208950
  H     16.23115479      2.80604947    -10.90510454
  H     13.06640279      9.12075405    -13.64427523
  O     14.31864345      9.79792757    -16.31308593
  H     16.23662082      4.10252563    -11.74485062
  H     16.68023783      9.79894783    -12.41947038
  O     17.19072567      9.83918480    -14.14018721
  H     14.80919036     10.58431857    -16.04281849
  H     16.81212588      8.78773318    -11.24835259
  O     15.09117792     11.74555309    -10.41789758
  H     14.94634393      9.06605890    -16.27225455
  H     14.84966945      8.79556068    -12.02861099
  O     10.91703760      7.39469089    -13.10575304
  H     16.84043922     10.65083116    -14.52768494
  H     13.41495910      8.24132454    -11.71926827
  O     12.00061093      4.95459178    -13.51552862
  H     16.79286446      9.10656860    -14.63187671
  H     12.68603122      4.55327122    -11.78483952
  O     17.51564198      7.13851039    -11.11119419
  H     15.60148039     12.15534638     -9.72402747
  H     13.94826963      4.07521387    -11.01853818
  O     12.36526062     10.85887207    -10.34908489
  H     15.60637704     10.98247283    -10.73107359
  H     18.83660424      7.80871935    -12.38959565
  O     18.53291391      6.16748338    -15.07435506
  H     11.27948276      8.09216397    -13.66619033
  H     18.66829919      8.81259585    -13.54809681
  O     14.36092052     12.64003258    -13.02906790
  H     11.12455347      7.65125067    -12.19551165
  H     13.65592492      5.66295963    -13.97740548
  O     11.67836190     11.73226798    -12.99183110
  H     11.54972354      5.80919113    -13.38618262
  H     14.35158549      6.91564060    -13.38874698
  O     12.45668507      9.47500027    -14.30863043
  H     11.39441896      4.39388201    -13.99159194
  H     15.28688849     12.26967835    -14.43976822
  O     16.39637437      9.62091965    -11.51070305
  H     17.29692148      6.50453458    -11.80648332
  H     16.05583207     12.81461747    -15.66693760
  O     14.09909036      8.31882020    -12.39847662
  H     17.06208609      6.81078072    -10.32036948
  H     15.49199033      7.14356170    -15.16371118
  O     13.05628899      4.42589932    -10.90372385
  H     13.27265891     11.17546739    -10.26523722
  H     16.96144977      7.15709547    -15.63379205
  O     19.19744425      8.06018851    -13.24904071
  H     12.04153205     11.21181790    -11.18772936
  H     12.05930205      9.10692425    -10.37991963
  O     14.47687174      6.16685347    -13.99448309
  H     18.87932383      6.83335932    -14.45271941
  H     12.31300717      7.61916147     -9.91339155
  O     15.81296727     12.00979258    -15.21749670
  H     19.27047119      5.86921624    -15.59928648
  H     17.47390788      5.32905830    -13.75326188
  O     16.15344169      7.68354582    -15.61999367
  H     14.65002359     12.44432837    -12.13005010
  H     15.97321800      5.45770616    -13.39018648
  O     11.98359056      8.17324408    -10.63097516
  H     13.41714325     12.43787250    -13.05237236
  H     15.02798534      6.16502541     -9.03652948
  O     16.83269643      5.15750506    -13.05433799
  H     11.88391358     10.93366955    -13.50817024
  H     15.90734754      5.08535941     -9.68426088
  O     15.94544049      5.92783377     -9.21423325
  H     10.84367603     12.06182364    -13.31414690
  H     12.68690122      5.88359105     -8.12689007
  O     13.08365137      6.25623665     -8.91045695
  H     12.98116003      9.58872959    -15.11328690
  H     13.01007505      5.58058405     -9.61017041
          69
 Energy    -250.45270646535812     
  O     14.67226088      3.77642871    -11.65169482
  H     15.41065059      3.91291061    -12.25722986
  H     13.25879336      8.92648965    -13.30135319
  O     14.75011686     10.15216213    -15.63442072
  H     14.88042014      4.28586633    -10.85861921
  H     17.07366565      9.37285058    -12.14859679
  O     17.74312645      9.65073171    -13.78466291
  H     15.27348241      9.35560648    -15.78592117
  H     16.50471355      9.77482156    -10.73890817
  O     15.93812389     11.19622165     -9.74281159
  H     13.96309129      9.88702866    -15.14120368
  H     15.13400602      8.39055120    -12.00073779
  O     10.61287070      7.51103597    -14.02414785
  H     17.29609584      9.04525821    -14.39502891
  H     13.88017236      7.64789493    -11.49004743
  O     12.04911704      5.33850937    -14.72366649
  H     17.43148639     10.53601256    -14.00749951
  H     11.68147253      2.96154825    -12.12816910
  O     17.42206573      6.41006723    -11.11249123
  H     15.68105561     11.73230698    -10.51621720
  H     12.98987126      3.78158534    -12.10192762
  O     13.31963633      9.98583334     -9.66492937
  H     16.35735796     11.78515917     -9.12197040
  H     18.87341961      7.01610997    -12.30222892
  O     18.56250283      5.90469737    -15.23692059
  H      9.74350925      7.48005016    -14.41415529
  H     18.97278915      8.24282242    -13.24012204
  O     15.10505254     12.45943307    -11.96243168
  H     11.09500000      6.73082435    -14.35508776
  H     15.34134320      5.57526178    -14.03820989
  O     12.45674392     11.44340937    -12.03341125
  H     11.98858430      4.70956547    -13.99336735
  H     14.48514808      6.77847905    -13.59274882
  O     12.64406159      9.41767575    -13.86987151
  H     12.97869378      5.60669232    -14.75025658
  H     16.56266040     12.68768807    -15.11099513
  O     16.66980166      9.03597108    -11.33621233
  H     16.82212755      6.02106986    -10.46463966
  H     15.72501220     11.39712082    -14.93739621
  O     14.31852522      7.96177810    -12.29008571
  H     17.18533685      7.34988914    -11.13730666
  H     17.23089282      7.25558257    -15.67471103
  O     12.04319135      3.82147400    -12.32530589
  H     14.19574343     10.37018517     -9.54182117
  H     15.77412903      7.31246585    -15.20758901
  O     19.33456029      7.36221353    -13.07634036
  H     12.93629999     10.46037380    -10.41178221
  H     10.92953134      6.84235469    -12.19439714
  O     14.66581645      6.19421353    -14.34485763
  H     18.94696780      6.40264308    -14.49292818
  H     11.42710398      5.48472475    -11.66629678
  O     16.33647264     12.00608059    -14.48360264
  H     19.29260990      5.55973521    -15.74385121
  H     17.41374043      4.94650431    -14.00236017
  O     16.49006865      7.86223949    -15.55996671
  H     15.52100702     12.35329097    -12.82640050
  H     17.04312426      5.32452735    -12.54926442
  O     11.19814226      6.38268777    -11.39171423
  H     14.18010117     12.19811646    -12.05930552
  H     15.32776478      5.19777101     -8.53620335
  O     16.79679131      4.74777429    -13.28858719
  H     11.62853115     11.91175589    -12.10397194
  H     14.57493553      6.11410203     -9.52608834
  O     15.30530672      5.47574950     -9.44856293
  H     12.45753174     10.76820020    -12.73173267
  H     13.20619364      8.18978770     -9.64956813
  O     13.24941691      7.23605434     -9.81549794
  H     11.88591125      8.83706254    -14.01224646
  H     12.42880904      6.95394298    -10.24899948
          69
 Energy    -250.45140494709250     
  O     -1.90198499      6.15547412     -6.86834685
  H     -1.41995189      6.11119588     -7.70431678
  H     -2.03214365      0.69425157     -4.46712451
  O     -4.37334604      2.81337549     -4.75063882
  H     -2.83437184      6.25167782     -7.09241724
  H     -1.87685313      1.40924819    -12.54272693
  O     -0.78601280      4.02690561     -5.57114911
  H     -3.93033100      2.73665340     -5.61054517
  H     -3.36157835      1.82025593    -12.51957723
  O     -5.57113521      1.73424368     -9.36473270
  H     -3.66084149      2.73376454     -4.10823314
  H     -1.05192414      0.73968926     -8.35934363
  O     -2.79466198      2.73545967     -7.01904577
  H     -0.11038054      3.78572416     -6.22302114
  H     -2.36612143     -0.04284527     -8.04312467
  O     -6.11494820      4.50350166     -6.16742238
  H     -1.15840707      4.87635213     -5.85509413
  H     -0.81847679      2.44929121     -9.99287990
  O     -4.46641279     -1.31130089     -5.80364233
  H     -6.30598699      1.85719932     -8.75068932
  H     -0.33774543      1.05128874    -10.43389636
  O     -5.03335023      1.01156060    -11.98437120
  H     -5.04692776      2.54811959     -9.32450482
  H     -7.08226158      1.66779088     -6.64958297
  O     -4.07221889     -0.52680182     -8.49060592
  H     -2.10079824      3.25563563     -6.59230727
  H     -8.41109022      2.13658203     -7.28930888
  O     -3.27421249     -1.06414220    -11.12044314
  H     -2.40967049      1.87419159     -7.22320606
  H      0.53467162      4.32905457     -8.26371446
  O     -4.69200368      6.28206294     -7.62532319
  H     -6.63182935      3.82459785     -6.61551675
  H      0.59760426      2.80004222     -8.38082841
  O     -2.18367931     -0.11778216     -4.96291648
  H     -5.56683294      4.03560659     -5.52290526
  H     -0.84526489      5.12480106     -9.84826857
  O     -2.47193833      2.15614388    -12.68402461
  H     -3.66417241     -0.90311782     -5.42995060
  H      0.10095404      6.34586516     -9.81884311
  O     -1.56809439      0.33667898     -7.64837540
  H     -4.50305158     -2.20227374     -5.46596346
  H     -5.63021881      1.49331536     -5.02867395
  O     -0.30094392      1.68431477     -9.70558183
  H     -5.82624023      1.02265719    -12.51507190
  H     -5.72871435      0.03264612     -5.50590741
  O     -7.46355030      2.21391576     -7.36235526
  H     -5.29700745      1.26802346    -11.08562420
  H     -4.31415522      4.84494649     -8.73919255
  O      0.77608394      3.53059384     -7.77699350
  H     -4.61742016      0.24331503     -8.69942225
  H     -3.57150496      3.55131223     -8.32535568
  O     -0.36167539      5.72776794     -9.25840607
  H     -4.32161038     -0.84368207     -7.61350816
  H     -1.33264873      2.52690053     -2.77062956
  O     -6.24070531      0.84337350     -5.40431173
  H     -3.91154000     -0.47628701    -11.54510604
  H     -1.37726106      3.00775486     -4.23669609
  O     -4.02066086      3.98795783     -9.06934208
  H     -3.52079743     -1.06398075    -10.18600936
  H     -2.62085533      3.95401100    -10.16924311
  O     -1.80304352      2.41558609     -3.59276131
  H     -5.23079532      5.70169843     -7.05724733
  H     -2.00494529      3.39300375    -11.48224817
  O     -1.79843154      3.88626183    -10.67559578
  H     -5.16913001      7.10296166     -7.70983029
  H     -1.67793411     -0.51007019    -11.56014056
  O     -0.85169533     -0.07373767    -11.83544383
  H     -1.76540471      0.00292110     -5.82755666
  H     -0.35567726     -0.71492433    -12.33711865
          69
 Energy    -250.45128134592403     
  O     14.31664316     12.35915404    -12.36170532
  H     14.12219925     12.03705026    -11.46547265
  H     14.21228466      8.47441786     -7.80836344
  O     19.27993056      6.54522082     -6.36553236
  H     13.53158529     12.80747495    -12.66719382
  H     18.54831939      9.36122771    -12.33922709
  O     17.50463536     12.95838666     -9.39902612
  H     19.57160403      5.68834879     -6.06600603
  H     18.27296533     10.71507620    -13.04412934
  O     16.75489351      7.01915856     -5.50004350
  H     18.35341434      6.64089808     -6.07889459
  H     19.77733219      8.34654612    -10.44439048
  O     12.89588137      8.83948018     -9.11870845
  H     17.30069047     12.03238262     -9.60685275
  H     20.58573445      7.96521436    -11.70209259
  O     19.06029049     12.37897778    -13.27320202
  H     18.42485113     12.97771290     -9.11452665
  H     17.08934588     13.46527904    -11.13555013
  O     20.22230436     12.56971285     -8.68503768
  H     16.05458051      7.27981668     -6.11245440
  H     16.03003454     13.16592895    -12.22688699
  O     16.59978777      7.71652007     -9.51644267
  H     16.83062044      7.75123527     -4.87487466
  H     19.73582372      8.22346843     -5.45494132
  O     16.37819548     10.58206259     -6.51654126
  H     11.99920558      8.51693565     -9.11257433
  H     18.94039785      9.25312165     -4.62827173
  O     14.10017726     11.27778958     -9.84922336
  H     13.33492562      8.44334022     -9.89603269
  H     14.51845057      8.44805080    -11.92177801
  O     15.25518699     12.76776244     -7.72458515
  H     19.29485846     12.84445398    -14.07092100
  H     15.15966901      7.65412657    -10.75573530
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  H     20.94567637     13.14989996     -8.46544084
  H     19.39400147     10.06797374     -6.62096625
  O     16.92622099     13.49458074    -12.08846976
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  H     20.49304217     10.47318244    -11.17174540
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  H     13.56780267     10.51933043     -9.58152529
  H     20.16016829     11.81798538    -11.85144428
  O     19.27761182      7.98591935     -8.76816043
  H     15.00370731     10.94748904     -9.97626992
  H     16.78226650      9.95376154     -4.89465075
  O     20.61531449     11.42663007    -11.09488376
  H     14.67181680     12.37448282     -8.38651888
  H     16.71133209      9.91800814     -3.35082525
  O     17.10153571      9.48388774     -4.10482279
  H     16.03521048     13.05462452     -8.21987351
  H     14.79722266     10.57363947    -13.02122703
  O     15.06648009      9.66078540    -13.17271297
  H     15.40934495      9.13466786     -7.05132355
  H     16.03278810      9.66804053    -13.17611427
          69
 Energy    -250.44945462586028     
  O     -5.65647049      3.30762292      0.92232985
  H     -6.60817181      3.25408025      0.90911833
  H     -1.35656888      2.69092952      5.00488489
  O     -2.34124855     -2.27680817     -0.81085786
  H     -5.41196816      3.74534921      1.75788695
  H     -2.46499493      5.38573434     -3.10978038
  O      0.27786926      4.97243870     -0.90883888
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  H     -2.85763326      5.04223937     -1.65291278
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  H     -2.04805930     -1.65828551     -1.50395120
  H      2.20038348     -0.87755467     -2.15679397
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  H      0.60498420      4.06777762     -0.99157132
  H      1.12907877     -1.04965022     -1.05464512
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  H     -2.62949085      2.83796805      3.39322192
  O     -1.80408199      2.88889965      1.80907670
  H     -2.04642404      3.02946559     -2.21828549
  H     -3.34758725      1.84049311      4.32616508
  O     -3.43752440      0.02370975      4.20131691
  H     -2.56682271      1.91720025     -1.26485168
  H     -2.14421027      6.26553181      1.92219124
  O     -1.31672969     -0.53795062     -2.63355920
  H     -0.45700600     -0.62085118      6.02938002
  H     -2.98166849      7.53099394      2.21474476
  O     -2.84740103     -0.70542594      1.47039534
  H     -0.55854024      0.70010751      5.23124992
  H     -4.39667682      2.04978536      0.43461986
  O     -0.22771561     -0.65020447      2.47073707
  H      1.89899996      4.62813846      3.59883560
  H     -3.47169680      0.78073255      0.64474091
  O     -0.43749411      2.45043082      5.19102086
  H      0.57300995      4.65071684      2.80677977
  H     -4.23144749      5.34174396      2.87677955
  O     -2.19773623      4.87563022     -2.34988131
  H     -2.41050233      2.49109552      1.17269515
  H     -4.27967815      4.01821733      3.68053911
  O      1.43504702     -0.46195063     -1.76902014
  H     -0.98130852      2.38314193      1.79750390
  H     -0.21644542      2.12991678     -1.29754979
  O     -3.06978538      2.76554422      4.25440406
  H     -2.58633273     -0.20285155      4.59664595
  H      1.09059711      1.30799693     -1.30224865
  O     -3.05135902      6.60384738      2.00103831
  H     -3.40669016     -0.31136428      3.29690089
  H     -4.60793118      4.62216253     -0.03518875
  O     -3.59018127      1.60304959      0.14765328
  H     -0.36048536     -0.53560244     -2.50624233
  H     -3.72152489      5.80454297      0.40248828
  O     -4.80961017      4.61309169      3.13052257
  H     -1.59381677      0.38403324     -2.54359422
  H      0.84375407      1.97255120      0.78668874
  O      0.70400905      2.13821884     -0.99535303
  H     -1.94517146     -0.65078343      1.81825589
  H      1.08875187      2.54170484      2.23613202
  O     -3.98718531      5.28222342     -0.36391969
  H     -2.80363872     -1.31825682      0.72502131
  H      0.26028770     -1.68121130      1.02037803
  O      0.75751722      1.78829262      1.73379792
  H     -0.32841240     -0.64197888      3.43030676
  H     -0.51811638     -2.30435630     -0.15179919
  O      0.37044889     -2.07009104      0.14184030
  H      0.20346036      0.18343603      2.22981753
  H     -0.24888170      5.34544692      0.75339604
  O     -0.64282988      5.33217029      1.63873955
  H      0.11210409      3.02414601      4.64804615
  H     -1.14410395      4.50110002      1.69128414
          69
 Energy    -250.44875579577661     
  O     11.97861092     11.24079699    -14.24834504
  H     12.65938507     11.92107890    -14.20169206
  H     16.22375932     11.96392432    -16.39091951
  O     17.86739298     10.02760912    -11.92451861
  H     12.21874638     10.66969142    -14.99261258
  H     14.47709570      9.57317356    -15.08577972
  O     17.44226176     10.60654335    -15.99171516
  H     17.98079487     10.01689215    -10.96537096
  H     15.29281787      9.98125806    -13.81994590
  O     12.95027243      6.73017418    -15.90232314
  H     17.05919392     10.52891121    -12.10838728
  H     11.44394355     10.21746033    -12.98084074
  O     15.24605573      9.44664892     -8.61441277
  H     18.22089941     10.35053818    -15.48483836
  H     10.30175755      9.71808338    -12.06219648
  O     14.51172084      7.10722895    -11.37246332
  H     16.68743372     10.21607026    -15.52234761
  H     17.97084707      7.85455662     -9.22540016
  O     15.42191439     11.18263689    -12.44155251
  H     12.37690315      6.03319697    -16.20881400
  H     17.65380599      6.89610968    -10.38277909
  O     16.42566244      8.94164857    -18.01891936
  H     12.76874161      6.84343078    -14.95041711
  H     11.96823723      7.94404868    -12.97513881
  O     15.16296944      6.57957785     -8.66549071
  H     14.62194088      9.69648387     -9.30823892
  H     13.17165872      7.03763982    -12.64427239
  O     15.78809470      7.09449657    -15.95738364
  H     15.12439736      8.49732196     -8.48627989
  H     20.27610374      9.59912857    -14.04975133
  O     18.24782534      6.82244821    -14.59076165
  H     15.40886145      7.12599120    -11.73728268
  H     18.89112886      9.75161005    -13.38485981
  O     15.37996664     12.41445904    -16.53572932
  H     14.59400201      6.80507224    -10.45980534
  H     17.53703402      6.97498432    -12.95177513
  O     15.31796918      9.45188558    -14.62462881
  H     15.01262934     11.90069762    -12.94004042
  H     17.35631871      8.24068144    -12.07671477
  O     11.22089507      9.58321401    -12.27497997
  H     14.75282299     10.78188076    -11.86714823
  H     18.29034887     10.32273130     -8.43076116
  O     17.74901505      6.93626455     -9.41987757
  H     16.23109906      8.17673825    -17.46179604
  H     16.94022604      9.74954795     -8.92087417
  O     12.46739602      7.18226012    -13.29055237
  H     16.96676371      9.52559381    -17.46991066
  H     15.05060728      9.93618834    -18.37994421
  O     19.33910841      9.54252472    -14.22126118
  H     15.03884075      5.87405459     -8.03692400
  H     14.10041451     10.66030074    -19.36531266
  O     17.15242195      7.29796770    -12.12554289
  H     16.11575046      6.61351413     -8.86784885
  H     13.98378516      8.82246016    -11.09885829
  O     17.89052559      9.80955274     -9.12783672
  H     14.89233117      6.74605966    -16.02234044
  H     12.75941965      9.75047387    -11.26509036
  O     14.27934033     10.52936888    -18.43842644
  H     15.70668518      7.87159052    -15.38101991
  H     14.61774083     12.84517973    -15.03067122
  O     13.66063291      9.71917101    -10.92194753
  H     18.64047710      7.69996763    -14.66223442
  H     14.13822345     13.98726217    -14.10641924
  O     14.20483104     13.03799634    -14.16983846
  H     17.48194462      6.80472783    -15.18080478
  H     13.32783092      9.84618530    -17.02718740
  O     12.97292485      9.53691293    -16.18337422
  H     14.93875170     11.91455547    -17.23173914
  H     12.89666486      8.57472900    -16.21849214
          69
 Energy    -250.44856655745258     
  O     -4.13761931      1.49222302      1.38254444
  H     -4.09244997      1.12554878      2.28234308
  H      1.98670931     -1.96438796      3.24430850
  O     -2.21736092     -2.27516378      7.29887069
  H     -4.53133310      2.35752968      1.46013203
  H     -1.41670773     -0.89479905      0.99748729
  O     -1.13434597      0.18017196      3.78857866
  H     -1.83467401     -2.19980614      8.16948595
  H     -1.83136403     -2.25689880      1.65557134
  O     -3.86191488      0.26922342      3.80878766
  H     -1.48446648     -2.19107978      6.66604591
  H     -2.43416142     -3.97816428      2.66046332
  O     -3.42934814     -4.44907513      5.89777334
  H     -1.15591329     -0.45453023      3.05264437
  H     -3.70078023     -3.23064405      2.13390979
  O     -0.34239498     -2.01036836      5.30659345
  H     -0.31248901      0.67384898      3.68221898
  H      1.69378025     -2.31363494      0.72510189
  O     -5.76608921     -3.35109835      5.10644837
  H     -2.89538039      0.31918443      3.85401142
  H      0.49109482     -2.22342998      1.67092038
  O     -1.85876619      0.57944015     -0.05697258
  H     -4.16352229     -0.02940060      4.67914050
  H     -5.36671654     -2.56962522      3.48530347
  O      0.33122201     -5.15479470      2.01729823
  H     -3.05271329     -3.81001433      6.51568827
  H     -4.55989809     -1.30995111      3.08530474
  O     -0.75363670     -2.68692983     -1.57137097
  H     -2.73586233     -4.60478454      5.24228666
  H      0.78563747     -1.92708368     -1.24072199
  O     -1.59702765     -5.00280630     -0.15915090
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  H      2.21923430     -1.63748826     -1.74204948
  O      2.05811412     -1.48638728      4.08226976
  H      0.58911447     -1.96699910      5.04680808
  H      1.26985983      1.06993100      2.14999181
  O     -1.19689575     -1.53128245      1.68923838
  H     -4.95725359     -3.82630378      5.37137220
  H      1.90846323      1.97554614      3.22587548
  O     -2.91548116     -3.72042907      1.85895838
  H     -6.50401301     -3.86158030      5.42765671
  H     -0.02619748      0.91424715      0.21732749
  O      1.38204820     -2.59748916      1.59154772
  H     -2.58336928      0.98953604      0.43256961
  H      1.24973051      0.10302919     -0.05943790
  O     -4.97266130     -2.11042637      2.73247637
  H     -2.25679021      0.08542962     -0.78523963
  H     -3.87905624     -1.20730907     -1.12729207
  O      1.63462616     -1.51468143     -0.99914256
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  H     -3.61991000     -1.07531801     -2.64458638
  O      1.39357815      1.18159531      3.10958264
  H      0.84633623     -4.34814233      1.87330745
  H     -5.06275618     -1.72552211      5.90372748
  O      0.91049108      0.85211306      0.44556673
  H     -0.97804046     -3.51839965     -1.13464237
  H     -3.75477914     -1.32930269      6.61080238
  O     -3.18079101     -1.19242804     -1.80583695
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  O     -4.52493091     -0.96534507      6.15692251
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  H     -0.69167099     -4.74103839      3.43979175
  O     -1.34706699     -4.34914453      4.03629794
  H     -2.07576232     -5.76176658     -0.48356829
  H     -4.86246338     -0.04637760      0.49361131
  O     -5.02615009     -0.94082989      0.16865151
  H      1.96304104     -0.55710874      3.84176800
  H     -5.15777622     -1.47327263      0.96310781
          69
 Energy    -250.44823090303805     
  O     -6.18810891      1.99090649      0.06905537
  H     -5.40671014      2.56165734      0.01807024
  H      0.58698666      2.44473976      2.12630741
  O     -4.89115996      2.85660635     -3.90154089
  H     -6.68494094      2.12846253     -0.74602778
  H     -0.89799417      4.35160075      1.83433744
  O     -5.74453415      1.44518469      2.80574184
  H     -5.73111193      2.76027208     -3.43768622
  H      0.49735233      5.01653454      1.80972057
  O     -1.16397316     -2.50654766      0.91326125
  H     -4.67900577      1.97519050     -4.23410261
  H     -3.32655312      2.60880901      0.34535046
  O     -2.79463360     -1.02389148     -0.79614540
  H     -6.03850091      1.70390200      1.92305103
  H     -3.48399628      3.43853359     -0.93128507
  O     -4.05971003      0.15373444     -4.50071396
  H     -5.70026907      0.48170159      2.79968405
  H      0.83874478     -0.23471465     -0.35013615
  O     -5.44213369     -0.69937438     -0.14969218
  H     -0.74285422     -3.36120313      0.88689322
  H      0.77751335      0.12569915      1.15961787
  O     -1.81406383      0.35906979     -2.91675908
  H     -0.45747671     -1.84172585      0.81024913
  H     -5.53859441     -0.33783584     -3.38257126
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  H     -2.33109483     -1.66512687     -0.24270208
  H     -6.03947014     -0.69317877     -1.95660330
  O      0.86251170      0.71871390     -2.04318625
  H     -3.73433332     -1.01379506     -0.56471264
  H     -2.48290675      1.60187937      3.80277871
  O     -2.86098138     -1.61003615      3.01469273
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  H     -2.00428623      1.08879914      2.42763210
  O      0.68529104      1.51184610      2.34514417
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  H     -4.55330920     -1.51350920      2.74757610
  O      0.02237100      4.23620474      1.53698992
  H     -5.54617614     -1.06108389      0.73947936
  H     -5.96794431     -2.04442697      3.08589333
  O     -3.81271787      3.36246847     -0.02704240
  H     -5.67150361      0.23961034     -0.08693338
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  O      0.69648217     -0.60375249      0.52728140
  H     -0.85990574      0.39291952     -2.78519347
  H     -1.41215981      1.67305177      0.23909367
  O     -6.32847956     -0.40299553     -2.83155773
  H     -2.17072354     -0.18192124     -2.19369052
  H     -3.10382752      4.30383138      1.43157747
  O     -1.88023060      0.97628873      3.38460007
  H     -3.34140519      3.20854218     -3.04358971
  H     -3.00622462      4.00821093      2.94043378
  O     -5.50258941     -1.40368216      2.55546717
  H     -2.28809730      2.17306782     -2.62468547
  H     -7.05139088      1.18417428     -2.66948148
  O     -2.18433966      1.27784094      0.66131874
  H      0.55696270      1.54043506     -1.61823442
  H     -8.20327329      2.20471966     -2.83979632
  O     -2.58285392      4.49517945      2.22296591
  H      1.69234590      0.92113622     -2.46795450
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  O     -7.31343154      2.10937323     -2.51081496
  H     -2.25515411     -1.98575421      2.36559536
  H     -4.22674370      3.11145600      4.99520423
  O     -3.85761561      2.83991159      4.15917808
  H     -2.48115055     -0.76066530      3.27914968
  H     -1.02162168      3.19407342     -1.38907276
  O     -0.29190770      2.85826549     -0.85089216
  H     -0.08235023      1.29836690      2.89358873
  H     -0.14930282      3.45158296     -0.10206779
          69
 Energy    -250.44743131978350     
  O     12.97868587      7.32793939    -15.96766438
  H     12.86156107      8.28557238    -15.98053943
  H     19.81277964      8.13100738    -14.50706359
  O     16.50829329     11.22168356    -12.57263849
  H     13.78918876      7.15266478    -16.46343033
  H     15.86469050     11.28219774    -16.53114060
  O     17.22803474     11.35533096    -15.26958676
  H     16.40150055     11.31995677    -11.61544359
  H     15.57535102     10.42401745    -17.78259147
  O     16.97768239      4.84365105    -16.10171838
  H     15.69820895     10.78991298    -12.88410917
  H     16.79489014      9.54682898    -15.23010567
  O     14.10134672      8.97879255     -9.38196845
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  H     12.85920460      6.37601004    -14.53013092
  O     14.36253917      9.75313744    -13.48139993
  H     17.14392234      3.91936526    -16.26197679
  H     12.15372088      5.22180471    -13.77756473
  O     18.97860845      9.00325063    -17.59127329
  H     16.51676212      4.90334713    -15.24340192
  H     19.30001535      9.43652902     -9.01664532
  O     16.41547885      7.27614503     -9.01563049
  H     13.87248461      8.52229378    -10.20761977
  H     18.44582433      9.18618167    -10.28027729
  O     19.91499418     10.94890530    -15.96635211
  H     13.29459223      9.04980458     -8.87721728
  H     14.71631070      5.30201813    -13.75025847
  O     18.64149571      7.07838784    -15.54129867
  H     16.48641396      6.84508204    -10.78092445
  H     16.04470625      5.68935102    -13.06167131
  O     20.14033454      8.87536096    -13.98372458
  H     17.10049112      7.61103477    -11.97481664
  H     17.68063095      9.81579303    -12.28490292
  O     15.16143736     11.00706901    -17.13575702
  H     14.00651482      9.06745894    -12.90245855
  H     18.96337368      9.00702465    -12.67506903
  O     16.43401656      8.67532934    -15.01781435
  H     13.74975908      9.90609597    -14.21064998
  H     15.40411314     10.38726421     -9.67175747
  O     12.86683036      5.85084543    -13.70955631
  H     18.14583094      9.04561220    -18.07448197
  H     16.92694414     10.51640333     -9.51941999
  O     18.40605754      9.28838826     -9.31311348
  H     18.91857798      8.23769468    -17.00362049
  H     16.03893871      8.25925578    -18.30822470
  O     15.66885674      5.16034657    -13.77864456
  H     17.14793571      7.90470680     -8.96058499
  H     16.18619426      8.83952334    -19.73417047
  O     18.23893585      9.06743651    -12.03652845
  H     15.61421377      7.81099956     -8.96101715
  H     14.74305340      7.39033830    -11.78411899
  O     16.14557049     10.97956387     -9.84609430
  H     19.63493079     10.29145515    -16.62986543
  H     13.35230280      7.00288110    -12.35242932
  O     16.37834310      9.01550785    -18.81627937
  H     20.61036043     11.46547089    -16.36407837
  H     13.70828475     10.48493204    -16.34569803
  O     13.80516841      7.64160534    -11.78818813
  H     18.26700478      6.21467800    -15.74453334
  H     12.21803272     10.77324573    -16.04998747
  O     12.92710197     10.16537250    -15.85844126
  H     17.89961544      7.61341768    -15.21748801
  H     15.81013931      7.65802102    -16.34857957
  O     15.55005888      7.06814231    -17.07554635
  H     20.18291796      9.62520558    -14.58883801
  H     15.99629706      6.22920528    -16.90709213
          69
 Energy    -250.44652378717950     
  O     -5.29710570      3.14610657      0.10596778
  H     -5.15989218      3.60199287      0.94623962
  H     -5.28532850     -0.47423015      3.46219763
  O     -2.11524643      3.46280048     -3.07075236
  H     -4.55357957      2.53035384     -0.00279965
  H     -0.88076095      2.69776032      1.93298854
  O     -3.03091362     -1.06727642      0.84787525
  H     -2.78240831      4.03053805     -2.66809591
  H      0.30291274      2.18452180      2.77951949
  O      0.04414493      0.13278563     -1.35740588
  H     -2.56504565      2.62771901     -3.25473730
  H     -2.00125332      2.76629795      0.15677262
  O     -3.37293938      0.92136121     -3.08585918
  H     -2.12484348     -0.93379721      1.16090562
  H     -0.67301735      3.37055320     -0.32369103
  O     -3.68147392     -2.24366191     -1.56112151
  H     -3.64308648     -0.86477057      1.56681369
  H      2.56721496     -0.53552783      0.89097036
  O     -1.64858941     -1.32733112     -3.06244311
  H     -0.50155856     -0.42067253     -1.92834480
  H      2.91725210     -1.44450722      2.09467181
  O      0.27400383      2.86412456     -1.82041146
  H     -0.22097908     -0.02301023     -0.44099292
  H      2.26704428      2.42446599      1.50248185
  O     -0.44845347     -0.31798300      1.40224154
  H     -2.75711408      0.18844818     -3.21680108
  H      2.25837944      1.10692825      2.29718459
  O      2.78025749      0.13030782     -0.71569449
  H     -4.23734739      0.52928985     -2.90240526
  H     -3.73661682      2.90907849      3.06576356
  O     -6.37974286      0.55797124      0.25793679
  H     -4.46939897     -1.74446307     -1.80761724
  H     -2.44819896      2.06023039      3.22698688
  O     -4.91983382     -0.11336174      2.65899889
  H     -3.46022831     -1.95516075     -0.66277985
  H     -5.98828500     -0.07210300     -1.33236558
  O     -0.66113446      2.14899231      2.70161998
  H     -1.38574418     -1.94491453     -3.73935147
  H     -6.56873706     -0.56504737     -2.67488520
  O     -1.32855192      3.42690071      0.38148071
  H     -2.34575625     -1.75934343     -2.53558583
  H     -3.13520426      1.34603952     -1.30602725
  O      2.30234853     -0.78057486      1.79579875
  H     -0.47719110      3.16417434     -2.35351205
  H     -3.13907292      0.61677160      0.06583083
  O      2.07391914      2.05102923      2.37113036
  H      0.18067463      1.90413632     -1.72365801
  H     -2.22788647      4.99472484      0.56424485
  O     -3.41228562      2.02645690      3.28025339
  H     -0.56562935      0.52262122      1.86764645
  H     -3.33442222      5.65984832     -0.26082510
  O     -5.74885532     -0.37938219     -2.22428559
  H      0.44435096     -0.62205795      1.60661433
  H     -4.96990067      5.33709747     -2.31799486
  O     -3.14481454      1.48673877     -0.35059074
  H      1.89513214      0.02435353     -1.09185373
  H     -4.73791926      4.29965975     -1.19945859
  O     -2.90163480      5.69058710      0.60028973
  H      2.90938464      1.08424899     -0.64092197
  H     -4.90749843      5.15970000      3.03720094
  O     -4.28785396      4.91538056     -1.80032103
  H     -5.97065474      0.26573514      1.08113777
  H     -3.91465823      5.02816293      1.85796768
  O     -4.51091921      4.52786241      2.44348554
  H     -6.22831797      1.51181983      0.21827334
  H      1.81737915      3.02900798     -0.91803639
  O      2.60354627      2.96368224     -0.35079013
  H     -4.39413231      0.66674229      2.91564372
  H      3.16359258      3.70172941     -0.57939009
          69
 Energy    -250.44568498404129     
  O     11.13524520     10.63083354    -11.25047029
  H     10.60344880     10.41764712    -12.02837054
  H     17.13144191      6.25705553    -15.70750944
  O     13.35797294      7.42923464    -15.12309839
  H     11.97492135     10.96844098    -11.58520460
  H     16.55726749     11.44977423    -14.08159139
  O     18.11445940      9.08574794    -16.98054758
  H     13.64592783      7.17837219    -16.00906723
  H     16.35688593     12.97435510    -13.94184976
  O     12.27664250      9.94942537    -14.70311684
  H     14.13659381      7.79511272    -14.67056807
  H     15.29128780      8.66639676    -12.82695428
  O     15.72036052      5.83819878    -10.20884151
  H     17.84353352      8.15658023    -16.86203470
  H     16.14521318      8.99325312    -14.08005988
  O     12.78636302      5.94529107    -12.86216770
  H     18.89850076      9.07643383    -17.52278665
  H     10.32097548      8.53123990     -9.00553600
  O     14.98626560      9.28378920    -11.12479620
  H     12.57538561      9.05233179    -14.90870396
  H     10.96310946      9.22634207    -10.23188632
  O     15.40728141      9.45548377    -17.87775730
  H     11.35832900      9.87718529    -14.41695684
  H     18.32496747      8.10900625    -11.90777892
  O     15.13363947      4.36679869    -12.40789204
  H     16.38953381      6.53175382    -10.19588372
  H     18.27941860      7.24325492    -13.17448347
  O     17.60915864     10.04368091    -14.41484209
  H     14.87005151      6.28513585    -10.09189071
  H     10.36394791      7.43580915    -11.40706517
  O     14.49055243      6.94462075    -17.62399555
  H     13.50119969      5.30212090    -12.78245255
  H     11.01746126      6.61937792    -12.54464112
  O     17.16133053      6.58013776    -16.61784562
  H     12.92659468      6.41225717    -13.69918864
  H     16.39444038      5.34568279    -13.45439038
  O     15.88903330     12.14266830    -13.94781189
  H     14.34755823      8.61627345    -10.83364214
  H     16.38532056      6.84492286    -13.80068910
  O     15.46385291      8.40069345    -13.73829256
  H     14.49130174     10.01429341    -11.51926337
  H     17.68542456      8.64132758     -9.48101046
  O     10.85049364      8.36965291     -9.78122179
  H     16.34656009      9.47185747    -17.66412400
  H     16.55792359      8.70573640    -10.53650608
  O     18.65015273      8.05949435    -12.81557117
  H     14.99014853     10.15406525    -17.35203579
  H     13.47515179     10.93081928    -15.77195727
  O     10.25189248      7.16546125    -12.32713036
  H     15.19985767      3.43224470    -12.22921842
  H     14.78851786     11.68839978    -15.50103382
  O     16.91409024      6.03599046    -13.88004026
  H     15.39718184      4.82784634    -11.59057187
  H     12.46975760      7.57365324    -10.07840079
  O     17.35986773      8.22198995    -10.27407824
  H     18.08917864      9.43867557    -13.82783953
  H     13.08678939      6.81114266    -11.28710616
  O     14.24655314     11.31861628    -16.20591816
  H     17.83524134      9.80411556    -15.32364133
  H     13.16257150     10.72130015    -13.30851440
  O     13.29636179      7.23177793    -10.44008814
  H     14.16909138      6.61668531    -18.45914182
  H     14.36185452     11.63253020    -12.96302312
  O     13.60586659     11.17460659    -12.57508475
  H     14.77139085      7.86780285    -17.77246454
  H      8.86831688      9.60568219    -13.83794825
  O      9.76865437      9.55679267    -13.52876642
  H     16.25667484      6.55183925    -16.95201798
  H      9.89695534      8.66022383    -13.17018795
          69
 Energy    -250.44376923767541     
  O     19.00447883      8.65319174    -15.80310227
  H     18.52285725      9.14307058    -16.48478085
  H     16.01784229     10.42740091    -11.36886593
  O     14.92344400     11.54934918    -14.78548156
  H     18.37234517      8.46160725    -15.09965335
  H     19.69370033     16.78801777    -14.05022535
  O     20.75120877      9.86083521    -12.10549148
  H     14.82039789     11.45593394    -15.74141869
  H     18.57162922     16.19809188    -13.17022502
  O     20.69861372     12.65905042    -12.31792387
  H     15.88077396     11.53464917    -14.61991330
  H     20.53922464     12.32494435    -15.55827139
  O     14.79644169      9.69006812    -12.74338275
  H     20.80575113     10.82265031    -12.03542263
  H     21.49450674     11.24847972    -14.99513444
  O     18.62398156      8.62037046    -11.05720664
  H     21.02220827      9.63780440    -13.00474300
  H     16.40779827      8.82527662    -13.31720895
  O     15.04959104     11.62717630    -17.56596395
  H     21.05096762     13.53039512    -12.09816676
  H     17.79030827      8.50890202    -12.70359306
  O     18.05108544     15.08403809    -16.13800542
  H     20.87958486     12.51960636    -13.25953920
  H     16.41949982     14.60162318    -16.89754537
  O     21.55245450     15.30687225    -12.06319536
  H     14.70515726     10.33619903    -13.46246125
  H     15.07216556     14.41853965    -16.18875559
  O     18.95834650     12.47323388    -16.35477208
  H     13.93298628      9.30833770    -12.60553149
  H     21.04293011     16.00395260    -15.57256275
  O     17.67826010     10.32728935    -17.60835592
  H     18.90585162      7.95515038    -10.43591029
  H     20.80121217     17.30193103    -16.37959830
  O     16.74175199     10.74552450    -10.81761471
  H     19.43061326      9.05735332    -11.38826365
  H     17.40011231     14.31806044    -12.90536162
  O     19.43464301     16.63018396    -13.13376388
  H     15.25786739     12.57456160    -17.47386014
  H     16.18635804     14.88731162    -13.68531791
  O     21.32252163     12.19760752    -15.00191881
  H     14.50867150     11.54193932    -18.34670914
  H     22.12814285     15.02024684    -13.89451748
  O     17.32492384      8.62868675    -13.54260570
  H     17.76084706     15.06137903    -15.21415878
  H     22.00661310     13.93343342    -14.98342385
  O     15.52650373     14.25300667    -17.02291315
  H     18.81830486     15.66817369    -16.17258246
  H     22.06704342      8.78349394    -15.17417132
  O     20.36016673     16.63829836    -15.85658264
  H     21.97693676     15.84105114    -11.39764861
  H     20.55889784      9.11988476    -15.21985437
  O     17.12006156     15.03394063    -13.49610714
  H     20.77195991     15.80400050    -12.36790634
  H     17.74444860     11.87870790    -13.43924706
  O     22.16099624     14.87812934    -14.84833636
  H     18.46477158     12.04936210    -15.63409807
  H     17.67270841     10.43270692    -14.03509943
  O     21.41290584      9.38803300    -14.83415023
  H     18.67061112     13.39437847    -16.38283824
  H     14.57748650     13.29259231    -14.40230468
  O     17.58436711     11.37017344    -14.24508388
  H     16.77408030     10.65545633    -17.64242431
  H     13.64006550     14.43618165    -13.95068539
  O     14.50445987     14.25679156    -14.31266243
  H     18.21505979     11.09948206    -17.37976470
  H     17.55965538     12.21975017    -11.43080109
  O     17.96556212     12.90601246    -11.98068008
  H     17.37615274     10.01802662    -10.77341124
  H     18.92762678     12.80250383    -11.96872246
          69
 Energy    -250.44341046445936     
  O     12.68682826     10.30146689    -15.75458123
  H     12.92750194      9.43718596    -16.11865859
  H     15.01388927      5.27128673    -14.88779627
  O     16.02427628      6.77770287    -12.35764057
  H     13.43936849     10.88038318    -15.91829350
  H     20.92484936      7.19415989    -13.86797971
  O     17.78319568     10.85451565    -12.16049935
  H     15.33210534      7.04578879    -11.73834367
  H     19.52861405      6.96567056    -14.48682254
  O     16.95973412      9.74986775    -16.04756260
  H     16.85012671      7.19639180    -12.07670094
  H     15.32170751     12.50987385    -16.75756858
  O     13.09241008      5.40974167    -14.93514595
  H     16.93499051     11.08595180    -12.56317472
  H     15.81574103     11.15052855    -16.21725692
  O     14.79479674     10.89875337     -9.04035743
  H     17.74658199     11.16661058    -11.24749033
  H     15.47865673      8.01314741    -13.57183877
  O     13.99510534      7.80201552    -10.78247989
  H     17.81367546      9.95738416    -15.64085754
  H     14.57505448      8.37550479    -14.79674985
  O     15.28550450     11.29671160    -13.32492224
  H     16.41983993      9.34898595    -15.34902833
  H     10.56260523     10.01052115    -13.45266328
  O     16.30029376      7.21412240    -17.08156111
  H     12.79091348      5.93910267    -14.17414823
  H     11.89770706      9.99606861    -14.23063147
  O     15.14469834      8.15147074     -8.25998976
  H     12.47147076      4.69339362    -15.03572889
  H     18.00901255      8.34619546     -9.88476412
  O     18.56014216      6.00581736    -15.60365541
  H     14.79589547     10.01231956     -8.65852787
  H     17.74032219      9.62657652     -9.07537278
  O     15.95104898      5.45761616    -14.76141895
  H     14.20822322     10.85889602     -9.80698644
  H     11.95707731      7.91674116    -13.12390147
  O     20.02780657      7.51872383    -13.86178041
  H     14.30548972      7.80799585     -9.86848938
  H     12.82483137      7.14920096    -12.11292005
  O     15.12879194     11.83070259    -16.11624891
  H     13.83701812      8.72558327    -11.02446228
  H     19.58844465      9.33464078    -14.34062440
  O     15.21642223      8.72496999    -14.16707709
  H     15.19864402     10.35512397    -13.55547034
  H     18.85508858     10.54365230    -13.71943097
  O     11.47816803      9.75098948    -13.38682872
  H     15.21479194     11.76311776    -14.16434619
  H     18.11686447      9.08241575    -11.90448496
  O     17.69434176      8.66341882     -9.02820421
  H     16.63194757      8.09313965    -16.84698424
  H     18.97755844      7.87792120    -12.37514313
  O     12.31270018      7.04230990    -12.92433577
  H     16.23179008      6.70357946    -16.26131561
  H     16.46106472     11.36175589     -9.30337079
  O     19.20754375     10.19635667    -14.54929304
  H     16.08321282      8.25724188     -8.49999386
  H     17.67946968     12.22667312     -8.90087453
  O     18.32010653      8.15244649    -11.72427253
  H     15.12325759      7.71868635     -7.41109082
  H     14.06476562     10.90533017    -12.04063486
  O     17.41599422     11.49055115     -9.44650434
  H     17.77423998      5.58773520    -15.22369217
  H     12.65271182     10.28991412    -12.03007989
  O     13.41381334     10.47711344    -11.46630688
  H     18.24479127      6.39414323    -16.42463898
  H     14.47750470      7.58667915    -16.83063136
  O     13.65246101      7.76401236    -16.35838842
  H     16.02297135      5.80731581    -13.86029290
  H     13.34831826      6.92136503    -15.99793422
          69
 Energy    -250.44298931606579     
  O     11.67872436      8.78685568     -9.82325576
  H     12.07156317      9.51630236    -10.31645662
  H     13.61374771     13.46182836    -13.69119988
  O     13.40674493      7.65978250    -14.77498743
  H     11.01071380      8.39765446    -10.40259107
  H     15.52898103      9.23921446    -12.77616435
  O     17.89688315     10.73995771    -11.01199709
  H     14.12442453      8.18791425    -14.38848274
  H     15.57728876      9.97593767    -14.14443209
  O     15.96220154      9.70253517    -16.98154479
  H     13.30264533      7.97192832    -15.68139554
  H     12.86213766      6.39765350     -8.06712467
  O     11.38148193      8.99661255    -13.45052007
  H     18.07357554     11.20281823    -10.19685141
  H     12.54518629      7.39128057     -9.21253413
  O     17.65682342      6.07132315    -11.76242539
  H     16.99961657     10.37368628    -10.93698683
  H     18.69537928      8.51191574    -14.98000519
  O     14.18529496      5.62954973    -13.08872967
  H     16.39114559      8.91651344    -16.62329550
  H     20.13271791      8.94213084    -15.34987779
  O     15.41411016      9.59689994    -10.98509197
  H     15.03965810      9.46315113    -17.13893933
  H     12.66338009      5.31696642    -12.00617457
  O     16.79212897      5.08805283    -14.09814976
  H     10.81095788      8.42508171    -12.92338033
  H     12.29349716      5.60832941    -10.53343563
  O     15.83999052     11.58410286    -14.97259606
  H     12.03028576      8.42944250    -13.89259027
  H     18.73909648     10.71737245    -14.10449884
  O     13.16864318      9.12811060    -17.16008029
  H     16.89065248      6.32612529    -11.23512182
  H     18.17669094     11.31352626    -12.79783633
  O     13.62152689     12.50792854    -13.70614834
  H     18.25042641      6.83661413    -11.77703392
  H     17.07523044      6.71068906    -15.05607704
  O     15.47443677      9.10955612    -13.72877606
  H     15.01851052      5.30942455    -13.45520109
  H     16.61301010      8.13264945    -14.68750229
  O     12.99167867      6.55220154     -8.99860088
  H     13.83308241      6.25754172    -13.73622786
  H     19.40936291      8.56772900    -12.84495238
  O     19.45066744      9.05065351    -14.69197606
  H     15.32814598      8.64858451    -10.80670899
  H     18.83622159      9.15612857    -11.54440651
  O     11.91861119      5.38639096    -11.39504567
  H     14.53008280      9.95549558    -11.14502057
  H     11.59030581     10.29666818    -14.77916371
  O     18.25736574     11.47360094    -13.74645740
  H     17.17307056      5.40580112    -13.25683016
  H     12.49743451     11.52670115    -14.92991444
  O     17.16724378      7.63607235    -15.31038634
  H     17.18328282      4.23642377    -14.27257282
  H     14.48897709      6.70197830    -10.04846760
  O     19.20200807      8.35069222    -11.92802222
  H     16.72393002     11.66702739    -14.58097433
  H     14.78662123      6.48149436    -11.55679635
  O     11.99545822     10.87866839    -15.43711052
  H     15.91759250     11.06879171    -15.78887726
  H     12.38667469      9.99628856    -12.30901058
  O     15.13402098      6.87732965    -10.74487881
  H     12.65627107      9.06533756    -17.96177626
  H     13.15231142     11.32704967    -12.27438514
  O     12.91488231     10.56614888    -11.73034975
  H     12.75042992      9.81781584    -16.61343461
  H     10.66344127      6.57166922    -11.62576935
  O     10.04108080      7.31962577    -11.67635958
  H     14.43721761     12.24426573    -14.16729180
  H      9.16328956      6.95598392    -11.60141067
          69
 Energy    -250.44280692539715     
  O     15.37308263      5.09089944    -16.40373849
  H     15.63887612      6.01898488    -16.42280665
  H     16.92388827     11.37694825    -13.87004653
  O     18.39348561      6.07811832    -10.24526776
  H     14.42999988      5.09556036    -16.19598573
  H     16.24656635     11.11816768    -17.41435710
  O     14.89485973     11.15535762    -10.02285497
  H     18.19275468      5.67785193    -11.10195131
  H     16.67755610     10.82024806    -15.95809317
  O     19.48158297      9.45272907    -13.26119713
  H     18.52727854      7.02128189    -10.40022386
  H     16.60388955      8.09123490    -12.97827988
  O     16.41210949      3.30056833    -14.64703771
  H     15.06750678     11.33483144    -10.95783288
  H     15.31964269      8.13487796    -12.08275465
  O     13.25963516      9.05142703     -9.56701639
  H     15.74922427     11.00174087     -9.60419843
  H     13.05704450      4.65017681    -14.57917509
  O     16.27306165      5.48100149     -8.67962501
  H     20.43184301      9.53842050    -13.25827381
  H     11.90364411      4.77233091    -15.60356177
  O     13.67660884      7.45487383    -11.81847425
  H     19.21180128      9.31261237    -12.33797327
  H     17.52488678     10.64289183     -7.78431911
  O     15.57003955      8.17275011     -8.12630499
  H     16.11374283      3.93453723    -15.32442056
  H     16.68988626      9.47856290     -8.36917195
  O     15.84248037      7.84946795    -16.00903522
  H     16.76687805      2.54776604    -15.11193709
  H     15.31010940      5.16321746    -10.26251053
  O     17.37446292      5.08217703    -12.69885068
  H     13.79053459      9.84922748     -9.74760655
  H     15.82491230      5.15614300    -11.71924892
  O     17.60567734     11.23298974    -14.54176416
  H     12.44578781      9.34809308     -9.16839738
  H     15.71912549     10.26656731    -12.57248060
  O     16.07881878     10.54138744    -16.67438383
  H     17.08670108      5.68242472     -9.17813384
  H     14.75739888     11.11088800    -13.43827158
  O     16.17105793      8.55567615    -12.25131890
  H     16.50782659      4.83822441     -8.01559604
  H     18.20457428      9.42128045     -9.98952061
  O     12.72114375      5.17705937    -15.32651441
  H     14.03640895      6.60170422    -11.53525171
  H     17.56812433      8.75531401    -11.22278644
  O     17.26270304     10.23217687     -8.60385867
  H     13.43343280      7.96250806    -11.03335307
  H     13.08502722      6.95695256    -14.88862507
  O     15.01889094      5.13588603    -11.18149022
  H     14.72341415      8.35756935     -8.55053156
  H     13.45989742      7.71454602    -13.59741536
  O     15.43969858     11.17695564    -12.75406386
  H     15.76164845      7.23931542     -8.27580223
  H     14.13397500      4.11565092    -12.50822374
  O     18.41707789      8.89847874    -10.77201402
  H     15.94104196      8.73753606    -16.37462371
  H     14.71709089      3.41756370    -13.74879176
  O     13.45136229      7.78831930    -14.56236894
  H     15.02856900      7.85185407    -15.48309295
  H     14.43449596     10.64734844    -15.60063985
  O     13.88855229      3.71467082    -13.35147184
  H     17.58485324      5.85432425    -13.24506328
  H     13.51064317      9.68843309    -14.82570332
  O     13.77650263     10.61438139    -14.89589422
  H     17.15445551      4.37250352    -13.31472790
  H     17.22408882      7.55577347    -14.91651169
  O     17.80299197      7.34699798    -14.16871062
  H     18.29822739     10.71487627    -14.11828296
  H     18.44682775      8.05531699    -14.05217063
          69
 Energy    -250.44265627532650     
  O     11.17154521     11.33621537    -11.97052957
  H     12.05261359     11.56198372    -12.29365743
  H     15.77266331      6.32723014    -17.10721759
  O     13.51591298      7.59381049    -15.36869212
  H     10.67050001     11.05031070    -12.74522706
  H     17.15065274      5.92434197    -15.32205042
  O     17.76709662      9.89602519    -11.50381275
  H     13.86687646      7.17652031    -16.16438345
  H     17.79245974      6.95854064    -16.27731758
  O     18.49797076      8.74006074    -16.38529965
  H     14.28221195      7.93551992    -14.87979272
  H     15.50508004     12.14832163    -15.44474727
  O     12.47383174     10.15791606    -15.28226425
  H     16.80118482      9.92124714    -11.38263397
  H     16.17179684     13.41996712    -14.85980839
  O     15.12459306      5.95002808    -10.13068669
  H     18.15102676     10.33274086    -10.74730347
  H     16.28831180      9.06559684    -14.19237930
  O     12.56516003      6.48270975    -13.00841052
  H     18.31145894      9.32840086    -15.63558933
  H     15.33724646      8.83956325    -13.00351015
  O     15.04412292      9.83406560    -11.47198313
  H     19.37503215      8.95818134    -16.69177291
  H     10.94344108     10.07573783    -10.78165732
  O     15.98853341      9.23611126    -17.72149294
  H     12.75364801      9.23698635    -15.38142562
  H     10.29162900      9.56403252     -9.47321447
  O     14.46066151      4.51067392    -12.30918403
  H     11.54300218     10.14723529    -15.02868523
  H     10.24369510      8.21869612    -11.74303738
  O     17.68655361     10.31659314    -14.28255734
  H     15.98948464      6.34324629    -10.31993250
  H     10.87064400      7.26233548    -12.78126046
  O     14.93322612      6.55986894    -17.54462127
  H     14.48369211      6.67171164    -10.12376266
  H     16.23773732      6.78838364    -13.64966701
  O     17.27601823      6.14384138    -16.25559628
  H     12.82927651      6.81542735    -13.87773922
  H     15.91184519      5.33621193    -13.21748064
  O     15.97452817     12.50764205    -14.66642100
  H     13.11755937      5.71272031    -12.82409055
  H     17.42623663      6.57300443    -11.93865680
  O     15.60478906      8.47459441    -13.85631936
  H     14.54531954     10.48244029    -11.98935746
  H     17.72896346      7.92187400    -11.25308079
  O     10.80429829      9.28670993    -10.22728482
  H     14.41390570      9.20549051    -11.09337335
  H     15.08381390     10.65549968    -17.10857966
  O     10.12177632      7.85347155    -12.62808853
  H     16.87634038      9.08538617    -17.37741182
  H     13.78660454     11.01728996    -16.33841978
  O     16.61810330      5.90200641    -13.55265733
  H     15.57369453      8.36710443    -17.76829946
  H     12.98409671      7.47495311    -11.51608025
  O     17.53453605      6.99623599    -11.07664136
  H     14.70014597      4.94526333    -11.46903487
  H     12.39773544      8.38320529    -10.40288868
  O     14.62027326     11.37980800    -16.66203496
  H     14.38922064      3.57767384    -12.12734070
  H     14.47102805     11.99633621    -13.59955226
  O     13.20869406      7.95748448    -10.70729788
  H     17.16383955     11.12114815    -14.40343711
  H     13.31175583     11.02296615    -13.91376096
  O     13.72943886     11.52795042    -13.19928336
  H     17.85129402     10.21158926    -13.33553426
  H      9.01568868     10.12430876    -14.55943023
  O      9.89441651     10.05363197    -14.19691051
  H     14.82023493      5.94986399    -18.26815016
  H      9.92674720      9.22032657    -13.69306744
          69
 Energy    -250.44223412574200     
  O     15.57593198     10.36247058    -15.93500463
  H     16.51363578     10.31679624    -16.19917886
  H     18.73688921     11.08920127    -16.79073457
  O     17.96012831     14.72784622    -16.57324790
  H     15.07744233      9.90999236    -16.60999618
  H     17.73375409     12.47572299     -9.80569683
  O     19.95143850      8.98643100    -14.68849206
  H     18.54794224     14.04022691    -16.90602567
  H     17.73729476     10.93547161     -9.88416392
  O     19.04849661     13.81566081    -10.08053822
  H     17.16911400     14.26107603    -16.26785521
  H     22.08210575     15.96283554    -12.89556664
  O     15.04741541     13.93379952    -13.00110395
  H     20.74116809      8.49623135    -14.90387138
  H     20.61255834     16.30668991    -13.19019681
  O     19.01708208      9.52442194    -10.02732582
  H     20.23919524      9.80152402    -14.24189572
  H     20.13201607     12.41002184    -10.47981794
  O     14.84372684     11.62874984    -11.29674817
  H     18.57713168     14.12309489    -10.87080371
  H     20.24996052     10.86835729    -10.38580835
  O     21.36464361     13.40492226    -14.96104611
  H     19.70670980     14.49225073     -9.88238098
  H     15.68937983     10.01975536    -14.08870040
  O     21.13150282     15.71066315     -9.95260897
  H     14.89512280     13.19012893    -12.40546037
  H     15.44677702     10.44331112    -12.59173237
  O     20.42302464     11.35605700    -13.41739761
  H     15.87384858     14.33841970    -12.70548405
  H     20.36461820     12.66983680    -17.95706972
  O     15.96950694     13.13253159    -15.46455426
  H     18.76570623      9.12108611    -10.87751177
  H     20.44783647     12.90259990    -16.43535281
  O     18.22112232     10.30761342    -16.55787331
  H     19.06436974      8.81655870     -9.39035212
  H     23.20337449     14.15322986    -12.50483742
  O     17.15748245     11.70624508     -9.89326466
  H     15.65664704     11.68030111    -10.76137312
  H     24.29304759     14.72926125    -13.44018454
  O     21.32642514     16.45732852    -12.55619499
  H     14.11828944     11.53895013    -10.68417652
  H     20.12716068     14.76500670    -14.53927081
  O     20.70958456     11.66051296    -10.69048217
  H     21.10234088     12.65897207    -14.39992965
  H     18.87790364     15.40156943    -15.16423991
  O     15.99701876      9.90864456    -13.17968947
  H     22.13278001     13.80866175    -14.53871472
  H     22.31357827     14.28755882    -10.46550593
  O     19.86001377     12.60511229    -17.14875998
  H     21.30980883     16.45439174     -9.38346604
  H     22.20839157     12.79082385    -10.80300687
  O     23.35559175     14.56925877    -13.37287007
  H     21.14395519     16.04795876    -10.86679400
  H     17.40224244      8.87251823    -12.66897199
  O     19.46664930     15.45592139    -14.39740322
  H     19.48994256     11.60242581    -13.53176378
  H     18.81324730      8.53814411    -13.20150168
  O     22.77013636     13.56771303    -10.91964607
  H     20.61773260     11.43206438    -12.47459354
  H     17.27439536     11.25518566    -13.37913667
  O     18.26124001      8.50750351    -12.41243797
  H     15.50472205     13.43657314    -14.66901186
  H     17.33089906     12.41968194    -14.39143404
  O     17.81267333     12.00321043    -13.66435312
  H     15.63657755     12.25836128    -15.69590104
  H     17.76460499     13.55068006    -12.73361354
  O     17.78280847     14.46506119    -12.41241191
  H     18.78170098      9.78205869    -15.97418548
  H     18.32584214     14.94754864    -13.04998157
          69
 Energy    -250.44152946215127     
  O     16.91071812      4.40062956    -15.49400332
  H     16.84493030      5.33135510    -15.74236580
  H     15.68197919     11.19019858    -14.63470247
  O     18.19727287      7.75829731     -9.56651728
  H     16.00055966      4.09241886    -15.39750830
  H     15.88615807      9.94906917    -18.02300459
  O     13.29707244     11.16017133    -11.07984384
  H     18.29381307      7.13275917    -10.29724895
  H     16.08157223     10.15255297    -16.50134845
  O     18.10853891      3.56346152    -13.20659081
  H     17.99935129      8.61828756     -9.95836597
  H     16.32680659      8.30618073    -12.92708632
  O     12.23050161      8.58985116    -10.25808285
  H     12.82144374     10.34173792    -10.89686433
  H     14.94710991      8.05702278    -12.22792773
  O     16.12942581      6.81003805     -8.11180343
  H     13.50154849     11.14609973    -12.02508615
  H     13.67185044      2.96602417    -15.00109806
  O     13.60968022      6.88393909    -11.97981391
  H     17.75974463      3.87346798    -14.06218284
  H     14.56132663      3.53573301    -13.87026309
  O     18.55396409     10.56741145    -13.22154684
  H     18.77686946      2.91227075    -13.40137238
  H     14.58083324     11.39020080     -9.93099563
  O     14.21108106      8.86133859     -8.45185948
  H     12.90364879      8.65179885     -9.55512606
  H     15.18477431     12.20519515     -8.76305058
  O     16.33013864      7.14723728    -15.83731678
  H     11.38212111      8.53414914     -9.82622691
  H     15.61027014      5.82777232     -9.65108130
  O     18.01472065      5.95938320    -11.74529181
  H     16.91449196      7.16897560     -8.56447123
  H     16.36404657      5.68751043    -10.99098978
  O     16.49821740     11.17857838    -15.15481574
  H     16.43057051      6.44386798     -7.28458429
  H     16.73789766     10.70117225    -10.20799688
  O     15.77554583      9.52202350    -17.17814142
  H     13.04028811      7.41586916    -11.40850652
  H     16.63289169      9.62282141    -11.30153863
  O     15.62726405      8.71781734    -12.40505640
  H     14.17592276      6.33216073    -11.42074698
  H     13.69231876     10.21810383    -14.39694732
  O     14.23001130      3.70376289    -14.77076431
  H     18.16988718     10.52528054    -12.32992018
  H     14.68609392     10.01220967    -13.23140940
  O     15.29306270     11.40182355     -9.26470500
  H     19.39757719     11.00479571    -13.13495730
  H     13.86928485      5.53692925    -14.82774927
  O     15.52138468      5.49637853    -10.55196398
  H     14.87607285      8.18209151     -8.28619526
  H     13.69171372      6.64496356    -13.76915299
  O     17.27101433     10.15861122    -10.80125217
  H     14.67918665      9.69061451     -8.60554935
  H     15.31458421      3.94194567    -11.62420489
  O     14.15630217     10.68455257    -13.68655686
  H     16.19591182      7.90685768    -16.41786675
  H     16.33039965      3.25102620    -12.55072790
  O     13.85748105      6.49497913    -14.71092047
  H     15.47330258      6.95278890    -15.42847604
  H     14.00556475      9.22010968    -16.37268077
  O     15.38890161      3.29995366    -12.34116560
  H     18.05342695      6.61406012    -12.45857649
  H     13.32032073      8.16940581    -15.47844205
  O     13.26502769      9.08909775    -15.76845838
  H     18.17069147      5.10221960    -12.16016162
  H     17.47655518      7.64672654    -14.56218754
  O     17.92719203      7.83877066    -13.72675173
  H     17.21873465     11.06901041    -14.52542426
  H     18.24763733      8.74812574    -13.73415385
          69
 Energy    -250.44119528570218     
  O     11.88920552     11.24114476    -12.18963380
  H     12.22076551     10.61835184    -11.52254529
  H     16.66062810      3.95547820    -14.65232065
  O     14.10496488      5.37884061    -13.60942280
  H     11.17302069     11.72439309    -11.78497051
  H     14.62415741      5.66592755    -11.90052954
  O     15.26317355     11.18744029    -15.90114901
  H     14.37293014      6.10538861    -14.19389407
  H     15.46365620      6.53455258    -10.90221008
  O     15.44695980     10.12645487     -9.23521523
  H     14.61215788      4.60667487    -13.88601701
  H     13.65788923      9.17657490    -11.42528795
  O     16.32715917     11.88761533    -11.40597305
  H     14.56396748     10.59823533    -16.20595327
  H     12.80905379      8.48583372    -10.32488335
  O     11.66922261      9.25781942    -14.32358054
  H     14.96142303     11.54549549    -15.05357719
  H     20.03450532      4.54728339    -12.13855684
  O     17.86936243     10.52991673    -15.76716900
  H     15.29438234     10.40873872     -8.33690281
  H     18.48975325      4.63192741    -12.10666321
  O     14.43967796     11.82339271    -13.34529350
  H     14.57828402      9.92015536     -9.61683372
  H     12.69970184      9.19683129    -17.29125232
  O     16.43452167      8.07493236    -10.89928725
  H     17.07117809     11.46844337    -11.86702271
  H     12.63396079      9.30009716    -15.74813448
  O     17.99646811      5.01055452    -15.03797286
  H     16.15178912     11.36095742    -10.62073806
  H     12.47097240      6.24596588    -13.22630123
  O     16.94769272      3.91327943    -11.67153348
  H     11.66441871      9.95625376    -13.66212944
  H     11.83416543      6.80365923    -11.95015962
  O     15.95248314      3.38385394    -14.30347809
  H     11.65380312      8.41776346    -13.84079093
  H     15.82985337      7.63616124    -15.23408872
  O     14.87463254      5.76938704    -10.96888519
  H     16.93516815     10.79378584    -15.85226356
  H     14.39070492      8.06157492    -15.72609545
  O     13.14382992      9.34262070    -10.61735182
  H     18.36562960     11.07736104    -16.36932539
  H     12.03233361      6.10736211     -9.44590294
  O     19.29238794      5.04157881    -12.47591932
  H     15.07866027     11.99717440    -12.63427919
  H     13.30791516      6.29539431    -10.29904741
  O     13.24134600      9.27545354    -16.51104085
  H     13.55413350     11.81446010    -12.96644109
  H     18.97224401      6.87867657    -12.48683964
  O     11.79250882      6.85730625    -12.91015705
  H     15.94799015      8.45661779    -11.64973368
  H     17.90897939      7.83387313    -11.89327245
  O     14.87937461      7.50942224    -15.10367255
  H     16.30516650      8.69122655    -10.17010253
  H     14.78730852     10.01245432    -13.07961906
  O     12.45249292      6.69633761    -10.06693233
  H     18.57026728      4.99858461    -14.26143166
  H     14.73285561      8.54600677    -13.60604628
  O     18.60813330      7.76905751    -12.56032641
  H     17.88622423      5.94152970    -15.26910507
  H     18.17787430     10.66488128    -13.86110399
  O     14.79163358      9.08550861    -12.80954620
  H     16.57346420      3.59079693    -12.50169910
  H     18.56800806      9.69598528    -12.73529669
  O     18.28152916     10.60104469    -12.90426525
  H     16.26027025      4.45447483    -11.26541988
  H     17.94488613      7.80485612    -14.26122345
  O     17.61866905      7.81519662    -15.17338296
  H     15.93823005      2.60038291    -14.84609887
  H     17.77504133      8.70888811    -15.50411382
          69
 Energy    -250.43913100065220     
  O     10.95958450      4.30318190    -12.39991604
  H     11.58085304      3.88183410    -13.00619171
  H     15.60155016      6.69066856    -10.23749557
  O     14.86146203      5.25658322     -7.83779387
  H     10.85319381      5.21079519    -12.71125459
  H     16.35205836      5.68949762    -13.87959494
  O     15.97383205      9.03313012    -13.71796362
  H     15.41823391      5.88965080     -8.32491267
  H     15.18215539      6.23826359    -13.04764831
  O     17.54551179      4.45224882    -13.08836919
  H     15.23379207      5.17827462     -6.96373572
  H     14.26902836      5.21009844    -11.10231111
  O     16.32886455      9.62849903     -9.93439466
  H     15.53620993      9.48580053    -14.44998180
  H     13.66497569      6.63047643    -11.34378418
  O     10.49295476      9.23537309    -14.70525225
  H     15.88374504      8.08012945    -13.86435266
  H     10.64402407      3.36153761     -9.41882350
  O     12.30997912      6.38817849     -8.68069392
  H     17.82972052      5.13076940    -12.44966369
  H     11.14309104      4.05077205    -10.71087042
  O     13.13682839      5.94670259    -15.03810923
  H     18.33804384      4.02085097    -13.39645694
  H     14.70088328     10.77599667    -16.51266389
  O     15.10531351      2.96304413    -12.60023533
  H     15.51919098      9.86000524    -10.40918245
  H     13.86454743      9.56367054    -16.03965500
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  H     17.03273262      9.62206982    -10.59476676
  H     12.93456317      8.57469837    -11.09178818
  O     18.23130953      6.44910169    -11.37516219
  H     10.61188033      8.42732376    -14.17717943
  H     12.30084330      7.49145020    -10.11245645
  O     16.17836022      6.93427093     -9.49830083
  H      9.55306072      9.36734809    -14.79725053
  H     17.43968041      9.21431494    -12.75210410
  O     15.62296040      6.31820403    -13.91128178
  H     13.13731634      6.09651226     -8.28155736
  H     18.82383274      9.84055495    -12.46426424
  O     14.44209122      6.07554802    -11.49218759
  H     11.87394944      5.58125897     -8.98432777
  H     13.51220738     10.34994455    -12.25159484
  O     11.34131600      3.91023902     -9.76721479
  H     12.99508414      5.00297094    -14.89475030
  H     14.77545434      9.48392000    -12.32683242
  O     14.49034009     10.25020497    -15.74576174
  H     14.04534946      6.11652810    -14.75006847
  H     11.83402316      8.68811727    -15.94914736
  O     12.35048224      7.80639818    -11.02694399
  H     14.86331857      3.04954519    -11.66837879
  H     12.79316504      7.48250090    -16.06824053
  O     18.18216571      9.22235578    -12.12379340
  H     15.94545895      3.42199499    -12.71538811
  H     14.45827890      4.06609133     -9.24715571
  O     14.12167775      9.83152795    -11.70566006
  H     11.79900353     10.46238100    -13.97403950
  H     13.15857633      3.61757553     -9.95051546
  O     12.64102320      8.38305724    -16.38338339
  H     13.21521054     10.87544200    -14.39749320
  H     11.87715319      6.65648465    -13.88543758
  O     14.11848413      3.66542126    -10.05785650
  H     17.65128479      6.51350017    -10.60557281
  H     11.53130032      7.30062328    -12.49613348
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  H     13.71938094      3.14656691    -13.64949500
  O     12.92109152      3.26202494    -14.19476073
  H     16.23822646      7.90080590     -9.50068007
  H     12.81275546      2.45621176    -14.69337496
          69
 Energy    -250.43908655508795     
  O      2.47276524      1.49997090     -3.62059484
  H      2.35430712      1.71616255     -4.56368650
  H      1.63276628     -2.25305831     -3.50670906
  O     -1.71921142     -3.28366229     -5.15031117
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  H     -4.23190958     -1.90552002     -3.77357000
  O     -2.72290296     -3.27534760     -1.30639792
  H     -2.63770687     -3.20850305     -4.85117878
  H     -3.75367504     -3.10811884     -2.94854175
  O     -2.24313735     -0.59826889     -1.39510073
  H     -1.23175221     -3.66678229     -4.40734314
  H     -3.10425937     -0.07534308     -4.14911658
  O     -0.54299724     -4.21092552     -2.81104116
  H     -2.52583899     -2.32246215     -1.26477230
  H     -4.39820832      0.75738355     -3.99049410
  O      0.44872648     -0.17121489     -6.75113972
  H     -3.09455160     -3.51639076     -0.46201816
  H      3.73074468      0.14220265     -4.19783269
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  H     -1.38442392     -0.27949950     -1.70060027
  H      4.48057609     -0.09177859     -5.53724058
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  H     -2.89096997     -0.27858933     -2.03612728
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  H      1.89580245     -5.08195217     -5.40044359
  O     -1.51432320     -0.48895431     -4.81504153
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  H     -1.06443010     -4.75752221     -7.89336361
          69
 Energy    -250.43880474969723     
  O     -4.03368588     -0.19203279      3.05773763
  H     -4.41289867      0.38156259      2.37269845
  H     -2.86273985      3.08620431     -0.57744653
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  O     -2.60158066     -1.64112179      1.18626965
  H     -0.17315229      2.89869574      2.66823288
  H     -7.66004297      2.17164885      0.46896750
  O     -3.71006558      0.88039977     -2.42380981
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  O     -4.88271272      1.38179731      1.00918364
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  H      0.83516657      1.24135546      1.27069044
  O     -7.64767592      2.20375527      3.70048331
  H     -3.03684061     -1.13384509      1.88818242
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  H      0.34593348     -0.78455970      1.80220332
  O     -4.22499362      5.25641250      2.67823206
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  O     -5.30874879      4.73630830      0.24128349
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  H     -6.09905407      4.20189820      0.40667851
          69
 Energy    -250.43807493120767     
  O      0.45376857     -1.44130591      9.10935770
  H      0.36613318     -2.07470250      8.37465859
  H     -3.36368709     -0.48678730      7.05615364
  O     -0.34492795      2.16722145      3.14595471
  H      1.16044974     -1.76221018      9.66386530
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  O     -2.93305512      1.44325896      9.96897984
  H      0.28224740      2.75660219      2.73591775
  H     -2.47569712     -0.26808645     10.05813427
  O     -2.21619836     -2.25496382      2.11731560
  H     -1.06034969      2.72411769      3.50304977
  H     -3.66013382     -3.94578813     10.73471261
  O     -0.06215227      0.25555461      5.19437571
  H     -2.20749676      2.01477083      9.68819970
  H     -2.67987584     -2.90431327     10.17494866
  O      0.10257436     -3.22900707      7.11345440
  H     -3.70965251      1.74701609      9.48516469
  H     -5.01135859      0.83902429      3.85670995
  O     -4.61520244     -2.45242769      3.72005960
  H     -2.07148788     -2.64136837      1.25827891
  H     -3.66534081      1.04799017      4.57721790
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  H     -2.21653807     -1.28769145      1.99552515
  H     -1.29509098     -2.35531624      3.73796357
  O     -5.08580033      2.49269829      8.32327245
  H     -0.07070948      0.84073704      4.42581418
  H     -1.81141622     -2.61533739      5.15919943
  O     -6.33505643     -0.42147956      4.25886885
  H     -0.31561248     -0.63601489      4.91718678
  H     -5.37073428     -0.33528564      7.30852455
  O     -3.28644043     -3.34035168      6.00392283
  H     -0.11091434     -2.95460549      6.21335657
  H     -6.22784495      0.10028119      6.10643806
  O     -3.76798103     -1.18822884      7.59269105
  H     -0.54663335     -3.90217277      7.35309263
  H     -3.01740731      0.71955177      2.49412645
  O     -2.22548280     -1.19682405      9.93757216
  H     -4.25311827     -2.87936594      4.50881654
  H     -1.53278176      0.99583901      2.20837766
  O     -2.90353893     -3.84923678     10.16162867
  H     -3.88321369     -2.40313485      3.09517467
  H     -2.67482570      1.67017242      6.39413800
  O     -4.17240181      1.30841714      3.79303214
  H     -3.65884692      3.23384538      7.39453191
  H     -1.74043895      0.57955891      5.79437188
  O     -1.03551223     -2.31085881      4.66659470
  H     -2.12684939      3.42489328      7.59914808
  H     -0.30341105      2.35829621      8.47488695
  O     -6.04259023      0.30367633      7.03008577
  H     -5.81855210      2.95551046      8.72143917
  H     -0.24991382      3.65635423      9.31665936
  O     -2.26685418      0.42340517      1.95936779
  H     -5.46686944      1.74276554      7.83339947
  H     -1.92534720     -5.96688429      8.00093086
  O     -2.64873188      0.76224214      6.06580193
  H     -5.74725206     -1.17335163      4.06176805
  H     -2.32060696     -4.64775921      8.70594232
  O     -0.84814628      3.06311952      8.87118392
  H     -7.15976907     -0.59800248      3.81423316
  H     -2.56824259      3.68539806      5.08245343
  O     -1.99302238     -5.02463694      7.87091917
  H     -3.52519168     -2.60821090      6.59446846
  H     -3.19907664      2.94668008      3.89120765
  O     -2.47688236      3.54340844      4.13112681
  H     -2.93653951     -4.04137783      6.56405267
  H      0.58929147      0.22573085      8.27868561
  O      0.57507883      1.05686473      7.78893193
  H     -3.27909905     -1.22106593      8.42281193
  H      0.46782442      0.81259369      6.85990071
          69
 Energy    -250.43696279139871     
  O     12.02588067     10.41918449    -15.25724860
  H     12.62063864     11.17086241    -15.35836977
  H     16.87728699     11.12094534    -16.03932759
  O     15.89647856      6.70914061    -12.43797080
  H     12.40728911      9.70174094    -15.78357081
  H     14.44219074      8.57565194    -14.91748509
  O     17.40576548     11.08887060    -12.13368686
  H     16.67213860      7.26183693    -12.26581648
  H     15.14904686      8.00222232    -13.63727318
  O     13.36322794      5.89543561    -15.31070537
  H     15.23980393      6.89658657    -11.75379473
  H     11.40368874      9.81643984    -13.76619900
  O     14.68917707     10.59597640     -8.86661912
  H     17.41838358     11.32821748    -11.19933871
  H     10.14820886      9.53791927    -12.90737694
  O     13.96862357      7.48107100    -10.64792097
  H     16.49603271     11.21684579    -12.44300999
  H     17.71913036      9.59316370     -9.23474825
  O     14.86638372     11.18939825    -13.13962003
  H     14.21901155      5.50148353    -15.11635412
  H     17.98413960      8.41671325    -10.19170059
  O     15.35815237      7.86278130     -8.24903405
  H     12.96558403      6.13161113    -14.45728621
  H     12.80853201      6.87104877    -12.06700730
  O     17.07633789      7.41311142    -15.75432172
  H     14.79916487      9.69781085     -8.53131107
  H     11.85525480      7.67055310    -12.96537126
  O     16.06497790      5.07532207    -14.59237550
  H     14.07435355     10.53011838     -9.60954913
  H     18.77106408     10.05654008    -14.80987854
  O     19.43063891      8.21897312    -14.57132527
  H     13.72034855      8.39670219    -10.84306266
  H     18.04173037     11.07742084    -13.92902418
  O     16.10940997     11.22550979    -16.62114637
  H     14.36836447      7.48858721     -9.76965602
  H     17.80997039      9.32275376    -12.11228546
  O     15.14435924      8.72968897    -14.27116128
  H     14.55184199     11.78778463    -13.82684557
  H     18.67270585      8.25951501    -12.82797932
  O     11.09543699      9.43116636    -12.92588513
  H     14.99354206     10.32794569    -13.57099969
  H     17.45343608     12.15372552     -8.75741089
  O     17.75320588      8.62895205     -9.27858060
  H     16.24843105      8.05987926     -8.59219413
  H     16.28774961     11.22460924     -9.17326280
  O     12.34837640      6.84255553    -12.91367172
  H     15.47586699      7.41126043     -7.41795475
  H     16.16642998      8.37991267    -18.79471478
  O     18.23211541     10.85328389    -14.84911014
  H     16.51155390      8.01502366    -15.24264740
  H     16.38152303      8.12902875    -17.28473856
  O     18.07470719      8.39061631    -12.08350755
  H     16.80493058      6.51964304    -15.50509162
  H     12.38673964      9.93400228    -11.68931461
  O     17.21959577     11.44630851     -9.35202308
  H     16.27077817      4.17110574    -14.37072406
  H     13.78807476     10.56217385    -11.84159107
  O     15.85675310      8.63168486    -17.92802167
  H     16.00249306      5.56458878    -13.75176250
  H     14.76071234     12.04759294    -15.93366318
  O     13.20612229     10.11372811    -11.21107292
  H     20.21684697      7.87062903    -14.98377170
  H     13.94983391     13.35964103    -15.80824493
  O     14.01532007     12.47163617    -15.46890478
  H     18.67172745      7.87486508    -15.07120522
  H     14.12831725      8.41221361    -17.09870777
  O     13.41119640      8.34560235    -16.45913365
  H     16.03650197     10.41689875    -17.13689487
  H     13.32518592      7.41589301    -16.19128066
          69
 Energy    -250.43615832882790     
  O     -4.10877261      1.05384837    -10.14133834
  H     -4.76919302      1.65496289     -9.77762688
  H     -3.69491620     10.25045416     -9.17410921
  O     -2.69067277      4.18187701     -8.15973035
  H     -3.26382970      1.27819435     -9.73062174
  H     -4.80761663      3.08305761    -12.49802218
  O      1.76870291      4.65579947     -8.26196268
  H     -3.04883557      4.55005732     -8.98445858
  H     -4.60302207      4.29086795    -11.54990359
  O     -5.32398510      7.32314214    -10.23873475
  H     -3.23249102      4.52070815     -7.43826991
  H      1.37780726      1.09374918     -8.37217312
  O     -1.54698483      5.50780980    -12.49896503
  H      1.60410161      3.70903675     -8.35273952
  H      0.17148162      1.87714037     -8.93716536
  O     -6.25326404      2.96420501     -9.64550030
  H      2.12865393      4.94145467     -9.11052444
  H      0.25753347      5.61341144     -8.08390683
  O     -2.66960218      7.63316722     -7.15298649
  H     -5.73067755      6.79685837     -9.53230772
  H     -1.27225435      5.36966462     -8.17854224
  O     -1.54170363      2.04676689     -9.38965408
  H     -4.84674883      8.06015021     -9.83999145
  H      1.46253052      2.46470887    -10.61499309
  O     -6.18637051      5.55528148     -8.34023068
  H     -0.91099413      5.98997129    -11.94944675
  H      0.55930642      2.79253735    -11.81898399
  O     -3.75005367      1.53359394    -12.78695019
  H     -1.99995636      6.15264799    -13.05672635
  H     -1.16482335      8.25797139    -11.17295101
  O     -3.48712105      5.25178708    -10.52120139
  H     -6.04571375      3.26818762    -10.54449363
  H     -2.32599364      8.45183312    -12.17823366
  O     -3.58191355      9.30804076     -9.26585362
  H     -7.13513756      2.59824146     -9.68138140
  H     -3.10787257      7.92126055    -14.57377152
  O     -5.26374013      3.82973210    -12.09177497
  H     -2.96321294      8.24538936     -7.83794721
  H     -3.93992505      7.21085730    -13.47986116
  O      1.13592804      1.90181673     -8.81718355
  H     -1.84470598      7.23872451     -7.46750796
  H      3.28062594      5.49791802    -11.38494098
  O     -0.59399406      6.05718131     -8.21052498
  H     -1.92136585      2.77355863     -8.87154041
  H      2.09649638      4.51213074    -11.24358189
  O      1.45475748      2.90430919    -11.47469259
  H     -1.46060396      2.34961376    -10.30621033
  H      0.94157921      6.51267382    -10.89316231
  O     -1.95251553      8.78728593    -11.35502859
  H     -5.60144062      5.55162300     -7.57190917
  H     -0.21049838      6.66376297     -9.86789518
  O     -3.04688593      7.52463885    -13.70906374
  H     -6.19609537      4.65393624     -8.68274727
  H     -2.06916378      2.34456291    -12.46696721
  O      2.42064779      5.39415362    -10.98678404
  H     -3.91478127      0.76770423    -13.33025952
  H     -1.39014389      3.73533477    -12.31584356
  O      0.06693505      6.90107189    -10.76558355
  H     -3.90159410      1.26372650    -11.86225810
  H     -5.56528401      6.94295637    -12.02268827
  O     -1.30438641      2.79661178    -12.09240566
  H     -4.03801845      6.04199229    -10.43384818
  H     -5.55674585      5.62739508    -12.82474178
  O     -5.46049658      6.58249572    -12.91609293
  H     -2.79893190      5.42348264    -11.17560576
  H     -4.29273314      5.61509073     -5.33936841
  O     -4.22756086      5.60696491     -6.29007765
  H     -2.97295256      9.16930271    -10.01380658
  H     -3.70172330      6.38835170     -6.54357739
          69
 Energy    -250.43527274166513     
  O     11.32815079      9.85950439    -13.21799609
  H     11.62094566      9.72299127    -14.13032416
  H     14.00550375      6.83481866    -17.19069962
  O     15.89643373      6.46238784    -14.72780206
  H     11.82687209     10.61693246    -12.89193261
  H     19.51145049      9.35053257    -13.73208829
  O     17.10577846      8.76002319    -11.05737230
  H     15.31667640      5.98954239    -14.11473497
  H     20.77900489      8.62255025    -14.24866038
  O     16.75154280     11.01737916    -14.59674597
  H     16.71468674      6.62631472    -14.24215935
  H     14.08350365     12.14887254    -15.64972594
  O     12.16940263      6.75539661    -16.65603654
  H     16.27729438      9.22237710    -11.24885453
  H     15.27344564     12.15424087    -14.68433175
  O     16.08860862      6.61850252     -9.63562853
  H     16.88088950      8.07309475    -10.41418452
  H     14.02701185      9.12426009    -14.80841732
  O     14.45736228      5.25826463    -12.67676732
  H     17.31191010     10.78405433    -15.34555519
  H     15.19085219      8.12342055    -14.53196525
  O     14.61207549      9.74561854    -11.72950513
  H     16.09302148     10.30828295    -14.52761256
  H     11.10857864      8.34332038    -12.43300698
  O     15.83090845      9.54141348    -17.76045414
  H     11.51599471      6.29264793    -17.17354088
  H     10.15385855      7.40137350    -11.66035763
  O     17.04829073      4.73948836    -11.63317204
  H     12.13567149      6.37602848    -15.75899214
  H     12.87010574      5.44390733    -13.68364405
  O     18.46115021      9.84657073    -16.55234806
  H     15.16912724      6.75936008     -9.89876119
  H     11.65002609      6.35069212    -13.44630730
  O     14.95210967      6.96843755    -17.31672261
  H     16.39880514      5.86569439    -10.15216005
  H     17.99810181     10.77719471    -13.22490544
  O     19.83581281      8.68919516    -14.37334853
  H     14.18026333      5.96069071    -12.06881087
  H     18.25027727      9.94490382    -11.94740587
  O     14.36200022     12.46248997    -14.78157053
  H     15.26471361      4.88364455    -12.30552413
  H     17.68990921      7.61372516    -12.35005822
  O     14.85613973      9.00507369    -14.32891700
  H     14.67686133      9.43761189    -12.64828157
  H     18.71351786      7.41830971    -13.49785162
  O     11.02887152      7.45725963    -12.03445557
  H     14.11553905     10.56983555    -11.76853623
  H     13.56837907     11.66671992    -18.13787535
  O     12.09641254      5.82211162    -14.11942661
  H     16.72880249      9.56750680    -17.41790020
  H     14.54447036     10.65324022    -17.49454537
  O     18.69818339     10.41845978    -12.66108953
  H     15.53266411      8.62231932    -17.67579967
  H     12.67594775      7.27307091    -11.16682859
  O     18.02832254      6.96935550    -12.99107635
  H     17.49705711      5.44743231    -12.12364317
  H     13.93761289      8.15689523    -11.13477862
  O     13.77420685     11.22498869    -17.31870872
  H     17.66541569      4.01458430    -11.57143191
  H     13.49896820     12.20219905    -13.27930623
  O     13.61282487      7.26745372    -10.93395371
  H     19.12179265     10.24421819    -17.11631365
  H     12.84976462     12.83521188    -12.02850429
  O     13.06437250     11.99848759    -12.43191020
  H     18.94470853      9.35760607    -15.86981200
  H     12.78671262     10.00262704    -16.36306685
  O     12.44572897      9.37321678    -15.71449483
  H     15.36615167      6.67257214    -16.49464195
  H     12.30259925      8.52362165    -16.15133352
          69
 Energy    -250.43463938687890     
  O     -2.27116038      3.97068359      2.62310663
  H     -2.40654866      3.81155205      1.67834618
  H     -3.90827321      0.91989332      0.24010062
  O     -0.61215189      0.63048715      2.90265549
  H     -2.59514802      3.18672481      3.09236879
  H     -6.88450281      3.23274524      1.80523418
  O     -4.34273721     -2.40321545     -0.09499764
  H     -0.09592671      1.44324398      2.94674255
  H     -6.08607109      3.53380033      0.51325613
  O     -1.73638523     -2.60202961      0.58528654
  H     -0.75663968      0.45011988      1.96132176
  H     -0.15759593      1.78427428     -0.08619282
  O     -4.74973654      0.87355364      1.78107321
  H     -4.87263257     -2.27463086      0.70582193
  H      0.34677332      2.93146643      0.81074416
  O     -7.00109038      3.98353694      3.51878804
  H     -4.74803120     -1.84183574     -0.76397855
  H     -3.87158182      4.98621406      2.86490016
  O     -8.28452442     -0.51220605      2.49390063
  H     -2.67116608     -2.55664171      0.31361535
  H     -4.87748197      5.36233658      1.77360043
  O     -3.06303405      1.58673779      3.77122369
  H     -1.40943847     -3.45102045      0.30017003
  H     -2.98705498      2.69532926     -0.42423574
  O     -5.63467964     -0.46965987     -1.80082801
  H     -5.46287900      1.48830138      1.56820621
  H     -1.63998001      3.42776263     -0.25199798
  O     -5.76413581     -1.69339024      2.15737491
  H     -5.12289855     -0.01104200      1.89740898
  H     -5.06243407      5.50212731     -0.84108581
  O     -4.40092468     -1.91849647      4.47744567
  H     -6.17748321      4.47294941      3.34701649
  H     -4.07527498      4.50484460     -0.19305859
  O     -3.54487497      1.01954160     -0.65445619
  H     -7.63253786      4.62084324      3.84334930
  H     -4.11225790      1.06119960      5.09897013
  O     -6.60333166      2.85409059      0.96263742
  H     -9.10210632     -0.84250879      2.85649659
  H     -4.51128879      0.91009749      6.58525485
  O      0.02391618      2.73373280     -0.07629864
  H     -7.92734409      0.12139266      3.14208943
  H     -0.48372375      3.64859980      2.76270644
  O     -4.76791236      5.31838552      2.73194158
  H     -3.67727948      1.31597922      3.06917886
  H      0.97589048      3.89034565      3.21029928
  O     -2.59731760      3.54576539     -0.17159823
  H     -2.21120789      1.17518959      3.57115978
  H     -7.12007593      2.18257185      4.09238257
  O     -4.95101574      4.91695768     -0.09619736
  H     -6.02942549     -0.64561763     -2.65062574
  H     -6.41256692      1.00483443      4.79468483
  O     -4.77952771      0.68507239      5.69788146
  H     -6.35498234     -0.17323051     -1.21649959
  H     -1.29295317     -1.10877005      3.38020174
  O      0.41594022      3.28248495      2.73432949
  H     -6.68687804     -1.46410008      2.31264702
  H     -1.81884284     -2.22980254      2.47588521
  O     -7.18276517      1.23500601      4.26044989
  H     -5.33885225     -1.86386972      3.01352535
  H     -1.13554112     -0.87560797      0.26454069
  O     -1.84458064     -1.89950284      3.38218420
  H     -3.47867020     -1.93932945      4.17789866
  H     -1.88361146      0.39178666     -0.18264945
  O     -1.04700717      0.08396582      0.19292067
  H     -4.50683033     -1.12060593      5.00544428
  H     -7.35195642      1.37304865      0.13442342
  O     -7.57630638      0.46795059     -0.12162355
  H     -4.16508065      0.56331661     -1.23351430
  H     -7.90689791      0.05395023      0.68418575
          69
 Energy    -250.43346762468869     
  O     10.11706541      5.87840462    -12.64859718
  H     10.43691131      6.78715926    -12.70853302
  H     16.18907905      5.93157117    -14.40436366
  O     13.83456155      4.12784846     -8.40065464
  H     10.57155344      5.39087208    -13.34529061
  H     13.76300576      5.00646005    -12.32125953
  O     16.58555202      8.89399258    -13.39039099
  H     14.20238461      3.67379318     -7.64657946
  H     14.62722376      6.15569692    -12.89942855
  O     17.63494141      4.86291473    -13.84914074
  H     14.58513824      4.45834145     -8.92104217
  H      9.96548182      5.20395114    -11.05498301
  O     17.10178514      7.62140742     -9.75581093
  H     16.10366237      9.02657355    -12.56171370
  H      9.01838272      4.64978078     -9.96643745
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  H     15.97325043     11.60421812    -15.61149746
  O     11.88884851      6.23804789     -8.64675649
  H     17.94727571      5.56531396    -13.25050724
  H     14.83136973     10.61938912    -15.26035661
  O     12.85888734      7.15931747    -15.04548361
  H     18.39085067      4.57900632    -14.35673559
  H     12.56495343      7.37338417     -9.85016817
  O     16.02932364      3.16138086    -12.20460027
  H     16.46699100      8.26163108    -10.11894763
  H     13.35514455      7.07230378    -11.15223766
  O     14.36648376     11.46798307    -12.38477083
  H     17.52559912      8.05249260     -9.01747953
  H     17.89502587      7.72504719    -12.75683028
  O     15.80944643      5.11012777    -10.04656212
  H     11.54995049     10.07753430    -13.19796919
  H     18.05377026      7.10102952    -11.36982473
  O     15.49475378      6.60048994    -14.43944777
  H     10.91484713     11.47397081    -13.39195799
  H     14.97289830     10.15016718    -11.31531961
  O     14.14633940      5.86832438    -12.11379520
  H     11.15759136      5.78727912     -9.08913601
  H     14.43026221      8.80936401    -10.75649966
  O      9.93674925      4.81309021    -10.16379933
  H     12.53613761      5.55147836     -8.44490354
  H     12.67261515     10.35823696    -14.99727642
  O     15.65815438     11.01615815    -14.93100138
  H     12.41567383      6.30222868    -15.03739411
  H     13.07779791      8.98850796    -15.58622196
  O     12.96867093      7.78961729    -10.62391396
  H     13.80282535      6.96678686    -14.94572082
  H     12.70474074      3.29523787     -9.69520154
  O     18.31133522      6.98591944    -12.29124000
  H     16.60332023      3.64759809    -12.81016719
  H     11.31997589      3.55063442    -10.31754183
  O     15.24528108      9.29664246    -10.94689527
  H     16.10797492      3.62316728    -11.36175066
  H     12.02307109      7.94536340    -13.58397722
  O     13.27179126      9.93305627    -15.62457232
  H     13.44236559     11.38748550    -12.65203274
  H     11.97577673      8.21506333    -12.04064624
  O     12.12311597      3.02344476    -10.41539256
  H     14.86694784     11.48691585    -13.20923107
  H     12.29996986      4.06350692    -14.06601621
  O     11.50185570      8.34988267    -12.87544725
  H     16.32334448      5.89413506     -9.82177303
  H     11.37480587      3.96053380    -15.29838843
  O     11.71522944      4.57428766    -14.65193751
  H     15.24499138      5.37672066    -10.78910591
  H     12.86226627      3.09902533    -12.00614766
  O     13.32569365      3.31567187    -12.83143334
  H     15.89171212      7.43585264    -14.15008226
  H     14.26299611      3.10824853    -12.70693286
          69
 Energy    -250.43266012281515     
  O      0.71302465      0.15442556      3.03090695
  H      1.25867294     -0.21083268      2.31914110
  H     -3.34732415      0.54158889      4.88053256
  O     -2.22024062      0.27341500     -3.30288201
  H     -0.21167269      0.13783896      2.73888543
  H     -1.70658111      1.93297770      5.26568314
  O     -0.49867724     -1.11556879      5.20380310
  H     -2.10510605      0.73465863     -4.12996910
  H     -2.03693490      1.67533156      6.75528901
  O     -4.18337452     -0.05590775     -1.27652550
  H     -1.51303762      0.57954902     -2.71155852
  H     -3.23820080      1.18759388     -0.32586131
  O     -1.71785615     -2.49768975     -2.58988102
  H      0.09439538     -0.73179406      4.54302058
  H     -1.74954395      1.58037698     -0.38982482
  O      0.14694390     -1.74743914     -0.69211039
  H     -1.00602372     -0.37291694      5.55091739
  H     -2.60147546      0.07079754      2.88722650
  O     -3.35539915      3.34755048      2.25308919
  H     -3.68366550      0.09282370     -2.08786387
  H     -2.17350166      0.66993762      1.51241078
  O     -4.23832729     -2.59424215      3.70179706
  H     -3.94468549     -0.94423968     -0.97040719
  H     -2.80225522     -2.66773943      0.24700814
  O      1.27439238      2.78298714      2.68741472
  H     -2.42449670     -2.68739043     -1.95815037
  H     -4.33518281     -2.78782729      0.14691932
  O     -0.33247094      0.91486689     -1.36014732
  H     -1.94564426     -1.65280091     -2.99497921
  H      1.62409812     -1.04345563      0.20756308
  O     -5.68877538      1.81423619      2.90558162
  H     -0.34455595     -2.10560978     -1.44465814
  H      2.20754059      0.36960727      0.41205999
  O     -3.88595464      0.11577921      4.20124587
  H     -0.29800930     -2.08701522      0.09756100
  H     -2.02774086      3.25500882      3.44421347
  O     -1.99220008      1.25198088      5.90242397
  H     -3.08297078      2.93330897      1.42314630
  H     -0.48932984      3.13461101      3.54929974
  O     -2.56602005      1.73596391      0.10171265
  H     -4.19606323      2.93450344      2.48240756
  H      2.37637771      2.90615665     -0.36086549
  O     -1.92472027      0.04011924      2.19960394
  H     -3.36703384     -2.96802774      3.87456406
  H      1.54320077      2.53735581      0.88395374
  O     -3.54155135     -2.61760694     -0.37572309
  H     -4.18234306     -1.66356554      3.96138099
  H     -1.16216218     -2.60477364      4.55475194
  O      2.17744238     -0.51270014      0.79772204
  H      1.10961544      1.84762441      2.90580332
  H     -1.18026473     -4.14833864      4.61069127
  O     -1.29883886      3.09938786      4.06526815
  H      1.92734417      3.09713069      3.30915244
  H     -1.37970267     -3.00148915      2.27912968
  O      1.74004911      2.27650106     -0.02942119
  H      0.38710967      1.44756513     -1.00133852
  H     -1.65149933     -1.60914454      1.68273272
  O     -1.52278121     -3.40165675      4.12680238
  H     -0.16593180     -0.00179296     -1.09188673
  H     -6.39273641     -3.40049909      1.56559706
  O     -1.43091394     -2.52411877      1.44428054
  H     -6.54441618      2.17607292      3.11966207
  H     -5.17537564     -2.74969155      2.26589342
  O     -5.68940673     -2.76983789      1.43785992
  H     -5.82391169      1.19661931      2.16389177
  H     -5.96650552     -0.91886760      1.11862007
  O     -5.97462159      0.02185236      0.90253122
  H     -4.53132531      0.75432794      3.87123032
  H     -5.50077178      0.10154610      0.06540588
          69
 Energy    -250.43212256761151     
  O     12.35300073     10.76328159    -15.91918218
  H     11.77483773     10.55140235    -15.17629345
  H     17.26316905     11.30141353    -15.16685167
  O     15.16551278      6.46770560    -12.80222375
  H     12.93142250     11.48227152    -15.63747060
  H     15.02251018      7.95335069    -13.85591723
  O     16.81990966     10.59489070    -11.40965587
  H     15.91720662      6.84266092    -12.32136152
  H     14.60757316      8.72104325    -15.16307700
  O     12.91196113      6.17325434    -16.20813389
  H     14.36601486      6.64175760    -12.28787791
  H      9.71764814      9.87499545    -13.86153627
  O     13.37145775      9.82150580     -8.96373419
  H     16.62422194     10.64621834    -10.46610368
  H     10.90851715      8.88810649    -13.92030077
  O     12.84987238      7.20726531    -11.49251841
  H     16.00211195     10.81780759    -11.88054086
  H     16.71181707      7.50759310     -9.84172146
  O     14.59008245     11.01961861    -12.92077758
  H     12.52787068      5.46673948    -16.72056913
  H     16.29217208      8.55188220     -8.79294402
  O     13.62489766      6.95900022     -8.81442744
  H     13.80317555      5.87811890    -15.94698067
  H     11.96417665      6.83332706    -14.69334463
  O     17.23557930      7.68601608    -15.85215720
  H     12.93255698      9.97629665     -9.81086573
  H     11.91406639      7.02926865    -13.14986900
  O     15.40509099      5.52999324    -15.39653130
  H     13.32491668      8.86985384     -8.80987111
  H     19.12028765     11.56973423    -13.47675333
  O     19.01239808      8.11637429    -13.71896541
  H     13.01989745      6.99605495    -10.56589832
  H     17.91064536     10.87061213    -12.82453761
  O     16.65366780     11.58112446    -15.86027309
  H     12.72267841      8.16613960    -11.53153890
  H     17.06679369      8.73954894    -11.52615351
  O     15.11442711      8.78330036    -14.34331032
  H     14.45393997     11.73474073    -13.55247695
  H     17.97854340      7.74491447    -12.26628340
  O     10.66854305      9.82665489    -13.80711787
  H     14.79023802     10.22470062    -13.44423981
  H     16.13385959     11.00222428     -7.95634997
  O     16.25260668      7.60974429     -8.99734844
  H     13.48145194      6.33201524     -8.11098979
  H     15.03491193     10.31472414     -8.80135801
  O     11.47407121      7.25612645    -13.97907208
  H     14.58660855      7.10650863     -8.86835056
  H     15.41243130      9.22129274    -17.56545409
  O     18.41638560     10.94772548    -13.65002342
  H     17.14185017      8.19319105    -16.66637833
  H     16.31249490      9.60788310    -18.76226300
  O     17.27951962      7.79957084    -11.59912391
  H     16.63015262      8.11541751    -15.22900670
  H     11.70841508     10.01938898    -12.25790638
  O     15.99455488     10.47098240     -8.73563379
  H     16.12297180      6.10214215    -15.69374538
  H     13.18371443     10.40138763    -12.01516976
  O     16.31191329      9.49782637    -17.81509937
  H     15.35570155      5.65539819    -14.43714807
  H     15.15752218     12.34160523    -15.43244880
  O     12.41458224      9.98222161    -11.60170168
  H     18.57498839      7.81695000    -14.52697177
  H     14.32070147     13.63918996    -15.31714429
  O     14.30991561     12.70722245    -15.11799493
  H     18.94626261      9.07884046    -13.74555526
  H     13.42738476      7.87428626    -16.77011203
  O     13.85954593      8.73018002    -16.87466660
  H     16.63685431     10.88422302    -16.52679391
  H     13.23881239      9.43268258    -16.62171706
          69
 Energy    -250.43181300780122     
  O     18.03742929      9.05735404    -10.36336683
  H     17.25937199      9.58110510    -10.59688130
  H     17.17672686     11.99662539    -10.92452231
  O     13.95940381      9.78425809     -9.55261532
  H     17.74634329      8.17837699    -10.09387057
  H     19.20681910     10.85459939     -8.08680086
  O     20.72575761      7.06683563    -12.57726265
  H     14.61881703      9.79018101     -8.83474707
  H     19.17247407      9.73068819     -9.13380326
  O     15.89403016      9.89433793     -7.69403774
  H     13.17138013     10.19039360     -9.20128525
  H     19.58213332     10.29321162    -12.75977411
  O     18.94979173      5.75602021    -14.41033958
  H     20.26269709      7.90500074    -12.71447632
  H     18.85393264      9.24449368    -11.89671242
  O     22.74158922      7.81792260    -10.75741865
  H     21.51568115      7.28359218    -12.06582326
  H     16.95466455      4.68476532    -12.36063583
  O     17.01684430      7.35130913     -7.06824145
  H     16.54700419     10.60412624     -7.69017648
  H     17.18682425      3.17738829    -12.61113262
  O     21.43208235      6.30331140     -8.95933116
  H     16.33823678      9.08835514     -7.40390288
  H     15.20127229     10.47501681    -10.72606598
  O     19.89059919      7.68037266     -7.12211999
  H     18.59184687      5.02825413    -13.88850694
  H     15.66738523     10.35169208    -12.19844182
  O     17.29809034      6.46792395     -9.64594478
  H     19.69808449      6.10273080    -13.90586246
  H     15.81113526      8.88254467    -13.93660800
  O     17.77339754     12.06165751     -7.87614357
  H     23.67448671      7.62381479    -10.72379795
  H     14.73507993      9.79806859    -14.56346525
  O     17.88482928     12.53662986    -10.54796494
  H     22.32177841      7.29120873    -10.05201006
  H     22.10685097      9.59843199    -10.52264909
  O     19.73221222     10.13366134     -8.45157192
  H     17.06283724      6.96413408     -7.95901450
  H     21.14143629     10.38317790     -9.60397340
  O     19.21226076      9.40401042    -12.78504175
  H     16.58653464      6.70642516     -6.51154342
  H     13.83110722      8.40804216    -10.89083545
  O     17.63904052      4.01119094    -12.51083914
  H     20.93197243      6.73180800     -8.24890661
  H     14.08608761      8.41353860    -12.40960042
  O     15.93598921     10.66243801    -11.32549920
  H     20.80140441      5.77011861     -9.45692845
  H     17.77544168      7.12967581    -14.32033233
  O     15.05599038      9.46010948    -13.73135932
  H     19.94238362      8.57928059     -7.47606185
  H     17.91997278      8.50367683    -13.63038391
  O     21.71446072     10.46718748    -10.37924190
  H     18.95411534      7.53050837     -6.95658826
  H     20.77344258     12.58851004    -12.52401140
  O     13.85463029      7.83810852    -11.66922263
  H     18.13698385      6.05062148     -9.89021958
  H     20.82577367     11.43680661    -11.49123078
  O     17.26685352      7.87967824    -13.98020086
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  H     16.47046874      6.77455234    -12.69710680
  O     20.24044451     11.91786201    -12.10589183
  H     17.81412054     12.29747148     -8.82084279
  H     15.14826956      6.63084410    -11.90304162
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  H     17.75249920     12.88070847     -7.38876004
  H     18.97947512      4.67753167    -11.32387111
  O     19.51001700      5.28041746    -10.78976510
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  H     19.91953496      5.90471548    -11.40736671
          69
 Energy    -250.43178119740568     
  O      4.35164005      4.46313524     -3.41125479
  H      4.86238261      4.77818462     -4.15164695
  H      2.24063386      2.88352970     -1.40402090
  O      0.32393900      1.47300153     -4.14850331
  H      3.43769977      4.34464579     -3.73153500
  H      0.38137013      6.72017494      2.40733981
  O     -2.37347031      2.53473252      1.97600597
  H     -0.24555192      0.74788758     -4.43428015
  H      0.78599559      5.99515496      1.10337924
  O      2.29771332      1.71763026      1.45742482
  H      0.99927923      1.06204859     -3.58735480
  H     -1.47731095      5.42621761      1.19553557
  O     -1.99070221     -1.29282449     -1.87535908
  H     -3.08825641      2.48421786      2.60495430
  H     -2.31367491      5.14466890     -0.07904890
  O      0.36540136      5.98506444     -2.80874943
  H     -2.41768339      3.41949240      1.56879351
  H     -1.84691354      4.26379831     -2.05016359
  O      0.25872686     -2.83206822     -0.93900266
  H      1.89043434      0.91421341      1.10605284
  H     -3.00321949      5.16593332     -2.54609573
  O      0.90007788     -0.27176644      0.07613254
  H      1.64127735      2.17929604      2.00394530
  H      1.27284041      3.22778061     -4.29554429
  O     -1.61285785      0.90965923     -0.17016852
  H     -2.01851112     -0.54794863     -1.26040094
  H      1.23031192      4.68854502     -3.74860707
  O      4.45750047      5.42035369     -0.68350814
  H     -1.35333235     -1.91316010     -1.50116540
  H      1.63543639     -1.42255337     -3.19824435
  O      4.69241619      2.81570726      0.66696677
  H      0.85285683      6.13593118     -1.98881878
  H      0.36769481     -1.86357817     -3.94577440
  O      1.50455671      3.13030055     -0.83164467
  H     -0.55407523      5.86031165     -2.54884972
  H     -0.63350519      2.32737217     -2.88171205
  O      0.20032115      5.94749378      1.87839679
  H      0.60729462     -2.71549966     -1.84130046
  H     -0.08855827      2.98874165     -1.60151507
  O     -2.27806833      4.99331821      0.87321357
  H      0.37908989     -3.75017857     -0.71320211
  H      0.34397993      4.12484600      2.47152953
  O     -2.25404167      5.14314149     -1.95568010
  H      0.02814589      0.14882339      0.04227640
  H     -0.56361110      2.88097169      2.50657244
  O      1.80493380      4.01383262     -4.14143864
  H      0.75749519     -1.20686250     -0.11637112
  H      2.72680111      5.91119328     -0.40185971
  O      1.11671918     -2.20346772     -3.44190631
  H     -1.45248184      1.57342581     -0.85682424
  H      1.58752679      4.89510524     -0.52329842
  O     -0.90980529      2.77687267     -2.07221648
  H     -1.93815695      1.38309037      0.60479269
  H      4.35834944      2.29705497     -1.08785508
  O      0.34481637      3.17528202      2.64259392
  H      4.59361724      4.60761039     -0.18221061
  H      4.23613951      2.86893015     -2.53124659
  O      1.76517630      5.83017159     -0.33867604
  H      4.49128941      5.17191620     -1.61646344
  H      1.72351956      0.09652016     -1.57304437
  O      3.97920077      2.13264889     -1.96070836
  H      3.88164419      2.42612446      1.03665259
  H      2.89548479      0.77012336     -2.34191707
  O      2.12666534      0.19300959     -2.44597803
  H      5.40149341      2.58230801      1.26099617
  H     -1.57590163     -0.99127719     -3.55756374
  O     -1.23675514     -0.86239231     -4.46160376
  H      1.65814276      2.68080738      0.00872031
  H     -1.90539290     -1.19496242     -5.05438612
          69
 Energy    -250.43089792762476     
  O     18.16915262     11.77414375    -18.17052124
  H     17.84458328     11.09718513    -18.75966893
  H     17.79671196     13.62492533    -18.51636609
  O     18.88993920     18.00331819    -14.35667189
  H     17.65052434     11.70018577    -17.34953860
  H     20.59489825     14.90318212    -17.43760842
  O     20.00376861     11.13977764    -13.89029387
  H     18.21238303     17.46041994    -14.78651894
  H     20.01297745     14.23659671    -16.17290646
  O     16.05962149     16.07863355    -12.69897465
  H     18.49713141     18.31208184    -13.52813413
  H     13.33311692     13.85662343    -12.45667535
  O     15.28494986     15.50194407    -17.38541957
  H     20.26108621     11.22702998    -14.81929869
  H     14.80946508     13.39890276    -12.53847792
  O     16.11297846     12.46357667    -11.88256272
  H     20.15404985     11.99705102    -13.47249485
  H     21.52363198     16.32972734    -13.72140103
  O     14.64164235     13.32798523    -15.63983457
  H     16.35058756     16.17098692    -13.61760243
  H     20.11964630     16.94672272    -13.53093318
  O     20.59669048     11.56497223    -16.60376507
  H     15.29496011     15.49048440    -12.71986772
  H     17.23313396     15.10684457    -11.69887054
  O     22.50182533     16.06191273    -15.27483035
  H     14.73236359     15.94034624    -18.02642202
  H     18.43902805     15.23158553    -10.74380905
  O     17.68419545     18.28297064    -11.88429064
  H     16.04732767     15.13760647    -17.87198982
  H     16.01909226     12.26828020    -15.73583905
  O     19.89423172     13.76497534    -12.84258880
  H     16.59342359     11.77117423    -12.35193417
  H     16.97453377     11.25834983    -15.00085369
  O     17.49561509     14.53710996    -18.60374605
  H     16.76988418     13.04990593    -11.48642453
  H     20.00564656     18.07747902    -15.84165393
  O     20.83804975     14.38433101    -16.66086506
  H     14.41104448     13.64102160    -14.75680167
  H     21.36363405     17.42707398    -16.15473243
  O     14.15523306     14.01818856    -12.91193496
  H     14.74799526     14.10397415    -16.20339875
  H     20.19606158     16.60255933    -11.37928225
  O     20.79873603     16.41391605    -13.09013042
  H     20.90636803     12.47636789    -16.67837821
  H     20.32745608     16.90205522     -9.86988855
  O     17.85342661     14.58940803    -11.16248958
  H     19.83796665     11.52045590    -17.19755735
  H     18.40285016     10.64656965    -13.54078281
  O     16.86373677     11.79413713    -15.79467187
  H     21.97490715     15.39324876    -15.74637372
  H     17.39197778      9.53651340    -13.16314395
  O     20.60645225     17.85812067    -16.56706294
  H     23.41845292     15.85616035    -15.43830481
  H     18.93589207     13.85648088    -14.36166251
  O     19.69859996     16.66552135    -10.54722820
  H     16.98931518     17.63182420    -12.05211506
  H     17.97138203     13.22165133    -15.41139717
  O     17.45659997     10.45797115    -13.39915045
  H     18.30331917     17.85401790    -11.28248833
  H     20.03596666     16.84601453    -17.88953102
  O     18.50697440     14.00029524    -15.21589129
  H     20.32890045     14.62154250    -12.94310285
  H     20.16768048     16.53461039    -19.39661145
  O     19.84294924     16.17963546    -18.57283403
  H     19.17795381     13.90947853    -12.20814962
  H     17.53889541     15.45906256    -15.31230581
  O     16.99483771     16.26249601    -15.31068765
  H     18.28048105     15.09807469    -18.60373771
  H     16.35016743     16.16024872    -16.01917362
          69
 Energy    -250.43088369871208     
  O     12.49771483      4.75874069    -11.40759932
  H     13.13481196      4.44272371    -12.06071871
  H     14.43211311      9.68458318    -13.41847809
  O     16.21462019     10.22163180    -15.84320696
  H     13.00081642      4.96594032    -10.61039623
  H     17.29779702      7.79796888    -12.01157095
  O     18.02431028      7.98115497    -13.60115099
  H     16.17207653      9.27288858    -16.02216947
  H     16.77775728      8.38756215    -10.64820562
  O     16.22487193      9.94191304     -9.79857970
  H     15.46094981     10.41838963    -15.26998080
  H     15.16972509      7.90913395    -11.98277741
  O     11.48787544     10.26207939    -13.54717427
  H     18.32483766      8.86866603    -13.83495476
  H     13.64482009      8.26421280    -11.94160836
  O     16.61981478      2.95745545    -14.74084718
  H     18.72759857      7.33912180    -13.76660344
  H     11.23742914      5.84902308    -11.78875575
  O     11.36122352      7.70149621    -14.44664514
  H     16.27952038     10.45964306    -10.62197042
  H      9.72077128      6.15085882    -11.74011773
  O     16.19625953      4.96569089    -10.95593118
  H     16.64145711     10.46628454     -9.11973274
  H     20.62170607      5.56991022    -13.96883327
  O     13.95578302      8.23111914     -9.20667723
  H     10.73557784     10.75849250    -13.85747807
  H     19.22977132      5.14278890    -13.44522147
  O     17.76734148      5.05085376    -16.03573901
  H     11.43091307      9.38010981    -13.95910475
  H     14.07555486      5.57197080    -14.22468938
  O     16.44293424     11.23720808    -12.16794355
  H     16.98847960      3.68182835    -15.27783340
  H     14.03982576      7.06377459    -13.86507625
  O     14.28483136     10.55429830    -13.82227936
  H     16.66944525      2.16808820    -15.27287294
  H     17.62499430     10.57669963    -14.90226814
  O     16.81503329      7.59483355    -11.19584813
  H     12.16909859      7.22976987    -14.68813590
  H     18.98896299     11.26867615    -14.66254684
  O     14.40253648      8.12835643    -12.52364716
  H     11.00145432      7.22813164    -13.68556599
  H     15.38549955      7.05432844    -15.44736415
  O     10.56458204      6.53139063    -11.96721324
  H     16.49429355      5.88595456    -11.03122694
  H     16.76612150      7.57181940    -14.94267156
  O     19.69530053      5.79136670    -14.00485283
  H     15.53703150      4.97473904    -10.25272005
  H     17.62991106      4.22391916    -11.91961711
  O     13.88394659      6.44268632    -14.59538562
  H     13.20592130      8.54173992     -9.73222067
  H     17.74123335      3.48112278    -13.26601650
  O     18.35979304     10.67206025    -14.26723851
  H     14.67514016      8.85445804     -9.35903363
  H     11.81510178      9.44427323    -11.83063282
  O     16.24290154      7.39549206    -15.73788209
  H     18.52464915      5.30660353    -15.49640536
  H     11.45753688      8.02573722    -11.33438715
  O     18.25645982      3.96300867    -12.60698797
  H     17.21975650      5.84419629    -16.11132688
  H     15.21225763      3.64810192    -13.73247969
  O     12.01920410      8.79155630    -11.14943058
  H     17.17788326     11.12112962    -12.78029699
  H     15.19608281      4.46820505    -12.42334530
  O     14.63775460      4.16382407    -13.15376698
  H     15.64352981     11.17529077    -12.70858296
  H     14.06493757      6.47441918     -9.14854597
  O     14.08205145      5.50133440     -9.15337811
  H     13.32854022     10.66932583    -13.82101385
  H     13.92051920      5.22241141     -8.25570196
          69
 Energy    -250.43063467719176     
  O     -2.15244497      1.27218366      2.41185342
  H     -2.49066193      1.63586567      3.24327353
  H     -1.40268958     -3.29217440      4.04476920
  O     -1.65091236      4.39840802      5.39760711
  H     -2.52986535      0.38646774      2.32913477
  H     -4.75665853     -0.62874797      5.14164260
  O      1.37218004     -1.84305478      2.25416898
  H     -1.87115523      5.30814852      5.57749864
  H     -4.51979585      0.77760672      4.56424000
  O      3.66149626     -0.88188826      3.64744311
  H     -1.08380102      4.39572855      4.60505318
  H     -4.20705880     -2.48794514      6.92551585
  O      0.53932292     -1.21179080     -0.37056500
  H      1.00551116     -1.05861549      2.69155784
  H     -3.18621722     -2.22310539      5.79784348
  O     -3.24252491     -1.25908486      2.62236350
  H      1.26541836     -1.68793824      1.30783077
  H     -1.21555017     -0.12806310      6.56116996
  O     -1.65380550     -2.46041574      0.65071252
  H      3.80030812     -0.08864980      3.11721134
  H     -2.70281923     -0.29914851      6.91698601
  O     -0.76376560      2.94900925      0.77701079
  H      2.99680381     -1.38775233      3.16358626
  H     -0.69851005      3.26253689      6.60286920
  O     -0.05032820      4.24490994      3.23556179
  H     -0.30344760     -1.59508479     -0.06946752
  H     -0.87797367      1.86115841      7.22033327
  O      1.98961950      2.52498126      3.95993570
  H      0.71092749     -1.58137543     -1.23314785
  H     -0.55119413      0.72145522      3.08468404
  O      3.71022403      1.50594776      2.02431285
  H     -2.73386315     -1.73689090      3.29097487
  H      0.85213430      1.13533740      3.63168843
  O     -1.84838208     -2.69162192      4.65385152
  H     -3.99615347     -0.87552971      3.09450108
  H      0.19227891     -4.80298048      2.70381711
  O     -4.97765603     -0.05618556      4.39624910
  H     -1.27810407     -3.13019272      1.23490935
  H      0.36665156     -3.26921684      2.61194898
  O     -3.82453896     -1.79521918      6.39239892
  H     -2.33804761     -2.02376683      1.17518371
  H      1.44782995      2.28791837      6.89847103
  O     -2.00001739      0.35770651      6.86096334
  H     -1.32772783      2.34613948      1.29219368
  H      2.89063804      2.59474563      7.36142661
  O     -0.25265699      2.59084965      7.13301182
  H     -1.30871225      3.30436073      0.07904910
  H      3.12373426     -0.78962931      5.41477232
  O      0.26622240      0.38481254      3.46912109
  H     -0.28203215      3.94184877      2.35121991
  H      2.68594001      0.23873211      6.48301870
  O     -0.29154494     -3.98102388      2.69756760
  H      0.72718796      3.72983447      3.49642613
  H      1.20008671      0.51110534      0.06131568
  O      2.38803965      2.13787486      6.69200541
  H      2.71148481      2.24905551      3.38067509
  H      0.82118840      1.94879450      0.46896851
  O      2.70128404     -0.70430845      6.28233219
  H      2.25853249      2.40535936      4.88006093
  H     -2.72985842      2.92478630      5.07128493
  O      1.57099668      1.35284301      0.35222609
  H      2.97098477      1.43768434      1.39320381
  H     -2.69321933      1.45963952      5.56324965
  O     -3.07949571      2.04276858      4.89399936
  H      4.45392575      1.85236468      1.53863447
  H      0.97199188     -1.09421086      6.08053470
  O      0.06194979     -1.06966371      5.75451175
  H     -1.14536739     -2.19025456      5.09651947
  H      0.09159144     -0.52299730      4.95406881
          69
 Energy    -250.43055961059036     
  O     16.62050698      6.27978375    -13.21587988
  H     15.82318370      6.34360316    -12.67344763
  H     21.06190516      7.66492531    -14.50178677
  O     17.47340184     10.60190739    -12.34348819
  H     17.30716023      6.80227494    -12.78024272
  H     14.93598646     11.17995335    -17.01835915
  O     18.10134061     11.47078947    -16.84613809
  H     16.65302277     10.69175776    -12.84921324
  H     16.25029791     11.81706896    -16.54383111
  O     13.90507658      5.16384486    -16.17272972
  H     17.26310208     10.80067817    -11.42304716
  H     16.18473177      7.50589387    -14.50646671
  O     14.24048028      9.71163796     -9.72876608
  H     18.52619817     11.22473820    -16.00410942
  H     16.44989834      8.35938413    -15.79919414
  O     14.30044450      6.69136041    -11.76583503
  H     18.69448073     12.07318410    -17.28646700
  H     11.78386899      7.16798802    -13.98906858
  O     15.19365974     10.59826903    -13.91046068
  H     13.49394510      4.66550336    -16.87613093
  H     10.56334386      8.10551987    -14.17561256
  O     17.13426099      8.91665575    -17.48503333
  H     13.71018970      6.09813232    -16.34450482
  H     17.39041254      9.04133173     -9.45404281
  O     15.07338567      7.02655804     -9.10796705
  H     14.38057428      8.80719496     -9.42223942
  H     17.98510179      7.93412835    -10.34550911
  O     18.68873147      6.85852387    -16.37509938
  H     13.81197655      9.64030060    -10.59190411
  H     13.05172384      5.30645654    -14.40944369
  O     16.77285000      4.97325016    -15.65796701
  H     14.51676939      6.67705212    -10.82513128
  H     13.16200953      5.82879051    -12.95094426
  O     20.16134238      7.96226976    -14.40423599
  H     14.02139114      7.59462041    -11.97308146
  H     18.69522459     10.75059494    -13.73994792
  O     15.29719159     11.80962652    -16.38407352
  H     15.46455374      9.73679875    -14.26666073
  H     19.61251828      9.77538301    -14.51638773
  O     15.84709236      8.22194954    -15.05822465
  H     15.13644314     11.18375038    -14.67724775
  H     19.16754064      7.92958490    -12.83912538
  O     11.51565276      8.07913973    -14.21146054
  H     16.26858336      9.09888865    -17.86964235
  H     18.11967563      8.89673868    -12.23227150
  O     17.53371919      8.08803949     -9.50508256
  H     17.54274986      9.77888840    -17.32628143
  H     15.79093960     10.51359820     -9.67220802
  O     12.53702878      5.63824778    -13.66486535
  H     15.05073162      6.50967344     -8.30760108
  H     16.74015334     11.54517150     -9.01590431
  O     19.21864910     10.65563674    -14.54650379
  H     15.99134226      7.33407867     -9.22011397
  H     13.94375991      9.70458099    -18.96837190
  O     18.49776363      8.00881763    -12.14816626
  H     18.24045091      7.49072624    -16.94975311
  H     13.98325144      9.04214655    -17.57265428
  O     16.70897781     10.83919663     -9.65569690
  H     18.06540004      6.13513312    -16.21477636
  H     13.93583097      9.82853795    -12.88493314
  O     14.45958472      9.64361059    -18.16819734
  H     15.84174122      4.96164571    -15.90282650
  H     12.63013364      8.98897960    -12.95770234
  O     13.34207887      9.26350678    -12.36867550
  H     16.78432823      5.24464715    -14.72815215
  H     12.71072810      8.08117266    -15.64823880
  O     13.42840035      7.92755015    -16.27477035
  H     19.64772077      7.53306761    -15.11248548
  H     14.26233614      8.02441194    -15.78439459
          69
 Energy    -250.42927738504994     
  O     10.50606335      9.04684657     -8.66822069
  H     10.50667241      9.73135677     -9.35974882
  H     13.72715379     12.03353444    -13.53196942
  O     13.80014575      9.06378966    -16.68811070
  H      9.60702610      8.96865891     -8.35871876
  H     17.05709059      9.24649767    -11.81619455
  O     11.74765689      7.30078264    -10.61970313
  H     13.44175890      9.96047994    -16.55990397
  H     17.14118947     10.44195872    -10.83299525
  O     14.42058556      8.26667104    -14.08558805
  H     14.25134469      9.06717459    -17.52795885
  H     15.63470216      7.68976742    -12.89380397
  O     12.84126857     12.80716367     -7.43126214
  H     12.68111584      7.33981303    -10.36782322
  H     16.74467295      6.71487191    -12.44336379
  O     12.60631776     11.47739168    -16.27378306
  H     11.27098401      7.76262981     -9.92165773
  H     13.05475516     15.29631935    -11.50550924
  O     11.81789500      8.24012946    -13.20217480
  H     14.32817509      8.44765840    -15.02957953
  H     12.32336300     14.11345763    -10.82780497
  O     15.29534239      8.94327266     -7.62854983
  H     13.52253372      8.19563937    -13.72595968
  H     14.83925809      8.09576732     -9.20581889
  O     13.55636396     10.39858507    -10.78598499
  H     13.51307193     12.80650160     -8.13517192
  H     15.12553294      7.65625517    -10.68416025
  O     12.81740744      9.95861453     -7.26172025
  H     13.17894443     13.35896287     -6.72979180
  H     11.48796367     11.48598811    -13.45621326
  O     10.86184700     10.90887500    -10.62262630
  H     11.66080725     11.28199024    -16.28394668
  H     10.31715552     10.80018134    -14.21151249
  O     12.93662356     12.58023595    -13.66688608
  H     12.76067354     12.00511043    -15.48030702
  H     14.20489337     11.82977080     -9.94469067
  O     17.20540019     10.19720875    -11.76808791
  H     11.46424529      9.13824968    -13.17699860
  H     14.23027451     13.34153527    -10.23905627
  O     16.23806115      7.47316817    -12.16291596
  H     11.71654139      7.85801548    -12.31857865
  H     15.82624997     10.76724667    -12.70760141
  O     13.05538953     14.34551303    -11.42688244
  H     15.60725215      8.56541929     -6.81058445
  H     14.79303756      9.99201346    -13.57139058
  O     14.42849540      7.84275094    -10.04268286
  H     14.40597624      9.30065066     -7.45200913
  H     10.28063545      9.58896117    -16.04825748
  O     10.74801547     10.86954987    -13.35172448
  H     14.01182358     10.55754136    -11.62354889
  H      9.12356525     10.49701917    -16.53378057
  O     14.52010857     12.68102118     -9.59963135
  H     13.81418476      9.51720475    -10.48938925
  H     16.11567805     11.67502596     -9.20814319
  O     14.96318727     10.84084023    -13.14361472
  H     12.02045529      9.60344386     -7.67327094
  H     16.30100634     10.28511186     -8.56913862
  O      9.92151488     10.49414879    -16.01300521
  H     12.72471310     10.91886982     -7.25536251
  H     10.91391027     12.63606325     -9.98242832
  O     16.73858990     10.94269187     -9.12292561
  H     11.81612856     10.72935454    -10.63711106
  H     11.57376647     13.35593219     -8.79537577
  O     11.16006189     13.51194177     -9.65264890
  H     10.58600002     10.90847409    -11.54853752
  H     12.05902177      8.26313645    -16.30722296
  O     11.18415530      8.09021434    -15.93896480
  H     12.95172612     13.25318024    -12.97711730
  H     11.32346865      7.94764544    -14.99186132
          69
 Energy    -250.42873084895783     
  O     17.53584091     12.71278633    -18.36474797
  H     17.13078623     12.27436653    -19.10950298
  H     19.73400935     14.10515994    -15.99883912
  O     19.88100719     17.54950977    -14.76750994
  H     16.95069486     12.56127032    -17.60173821
  H     13.23235295     14.80370182    -12.31972440
  O     18.98180132     10.82601863    -14.30836602
  H     18.93860168     17.31997509    -14.74926613
  H     14.58222807     14.07149182    -12.51385983
  O     16.35274235     16.43426390    -12.22815747
  H     20.04352111     18.12724201    -14.01166660
  H     21.32741098     14.73866813    -14.69575553
  O     15.54208434     16.70746564    -16.95729624
  H     19.28646498     10.99119667    -15.21208496
  H     20.78679335     16.03899657    -14.10808304
  O     15.63815538     12.78082486    -12.07457498
  H     19.34817908     11.52718796    -13.75434277
  H     17.33292447     15.04796858    -11.50818753
  O     14.35510595     14.48932682    -15.57914338
  H     16.68413826     16.58430756    -13.12576824
  H     18.40651225     14.72435110    -10.44482979
  O     19.75918744     11.54821724    -16.90398356
  H     15.48842239     16.01749939    -12.32892290
  H     15.38502428     13.11498443    -15.91315531
  O     18.21735398     17.97540569    -10.80952535
  H     15.10325592     17.33501876    -17.52470254
  H     16.05410465     11.79535812    -15.38125417
  O     19.59131812     13.18424017    -12.89971386
  H     16.25337719     16.29908518    -17.48462623
  H     20.11335135     17.11081972    -16.51664106
  O     17.62901425     15.58612054    -18.25909956
  H     15.90819205     12.05575227    -12.65055210
  H     20.67529928     17.36183415    -17.93263025
  O     20.62990365     14.16304373    -16.36807055
  H     16.43160008     13.11855149    -11.64081123
  H     21.58807692     15.97131997    -12.16376564
  O     14.07689416     14.86955218    -12.75758431
  H     14.22484620     14.71015246    -14.64892636
  H     21.21224720     17.37927242    -11.67117243
  O     21.26895449     15.23492708    -13.86913674
  H     14.66139504     15.28896762    -16.02339846
  H     20.44369560     19.81246071    -12.10232681
  O     17.82809494     14.32086850    -11.10409869
  H     20.30275531     12.33927713    -16.79277618
  H     19.47117229     18.64462578    -11.81154984
  O     16.07687575     12.45608711    -16.08351997
  H     19.04166604     11.83040960    -17.48285287
  H     20.33015061     15.99581680    -10.14283440
  O     20.16279064     16.74520284    -17.41521020
  H     17.46710759     17.54833967    -11.24464914
  H     19.99754589     15.70660383     -8.65964129
  O     21.47862807     16.50355210    -11.36511869
  H     18.60709917     17.30539064    -10.23467231
  H     17.30835590     10.68751297    -14.02897138
  O     20.23821489     18.91469968    -12.34887014
  H     20.24641280     13.86494888    -13.10062275
  H     16.05851079      9.81055424    -13.77095229
  O     19.60363352     15.80772100     -9.52182259
  H     19.01522053     13.53451085    -12.20585203
  H     18.53605237     13.69791904    -14.29821595
  O     16.34109112     10.71122690    -13.90357158
  H     18.49767022     15.93224423    -18.02539495
  H     17.44937114     13.49304945    -15.40202415
  O     18.12664794     14.09777273    -15.07702755
  H     17.70675243     14.62647627    -18.32690797
  H     17.57743458     15.73783230    -14.90241268
  O     17.30025503     16.66346942    -14.79682219
  H     20.63987509     14.97836419    -16.88218042
  H     16.65991947     16.84092124    -15.49543252
          69
 Energy    -250.42870710268750     
  O     13.32193711     14.52512363    -14.62907903
  H     13.67239216     13.97456184    -15.34920098
  H     13.02032373      9.07443374    -14.34117901
  O     14.76264527      8.34602688    -16.67097644
  H     12.60725519     15.03746126    -14.99973534
  H     12.60867077     10.28582877    -17.93324962
  O     15.43907578      9.80739564    -10.94091237
  H     15.61211252      8.61933008    -16.29865757
  H     13.77325101      9.71707264    -17.09026468
  O     18.04542243     14.89083546    -15.03458593
  H     14.33380006      7.82944293    -15.97651692
  H     18.29814940     12.29975665    -13.07656341
  O     13.66740741      7.40096221    -14.22356657
  H     15.30800754      9.20972285    -10.19515979
  H     18.69683272     13.37912853    -14.10984411
  O     14.78306640      7.81289901     -9.07351103
  H     14.56281794     10.13212495    -11.19824416
  H     13.97861243     13.76272447    -11.56552841
  O     15.09950352      6.01467612    -11.08901921
  H     17.24028763     15.14464945    -14.54915702
  H     13.15751320     13.72849725    -12.86543835
  O     15.24578860     11.37386185    -14.29890683
  H     18.52579408     15.69613278    -15.20722401
  H     16.36136089     10.06750603    -14.87514027
  O     12.89398864     10.67313357    -11.70220984
  H     13.13541908      6.88650338    -13.60464278
  H     17.73738231      9.75661974    -15.50108541
  O     16.07591582      7.92224501    -12.93460246
  H     14.51967774      7.54957948    -13.78682019
  H     12.26376971      6.89895557    -11.48290282
  O     19.04463179     10.96593873    -15.97810091
  H     14.94382810      7.09897212     -9.71693480
  H     11.65110082      5.55282237    -11.93835140
  O     12.77875772     10.01242435    -14.38331261
  H     15.05696348      7.48489096     -8.22178613
  H     16.16615332     13.48455049    -11.38022277
  O     13.17569870     10.48017050    -17.19159420
  H     14.21205688      5.87945465    -11.44404612
  H     16.10885163     14.51974331    -10.23071526
  O     18.94811895     12.51529305    -13.75707436
  H     15.58150974      6.51244523    -11.76366063
  H     16.46536100     11.21390900    -11.51969356
  O     13.18399307     13.38790609    -11.96344696
  H     15.10984721     11.98730297    -15.03061070
  H     16.21556698     11.86572365    -12.88620109
  O     16.93100887      9.34214475    -15.17274974
  H     14.40666686     10.91136131    -14.17922536
  H     15.37997330     12.92996521    -16.81037914
  O     12.39190376      6.13656115    -12.07604096
  H     12.69605872     10.42667059    -12.61598540
  H     14.03928571     12.10352720    -16.87303787
  O     15.75442053     14.31766186    -11.09235458
  H     12.93001712     11.64091716    -11.68960925
  H     12.34264899      9.14692217    -10.77289259
  O     16.73392836     11.96054156    -12.07129954
  H     15.92124065      8.61768148    -12.27999641
  H     13.01518949      8.15783230     -9.79766423
  O     14.45592396     12.89780539    -16.51493097
  H     16.54764254      8.32275727    -13.67654913
  H     15.81061089     15.21050401    -12.73287377
  O     12.26077894      8.26298001    -10.39000602
  H     19.94454101     10.84051130    -16.26607784
  H     14.94273820     15.25570058    -14.00712749
  O     15.81016700     15.49129686    -13.65670271
  H     19.08198557     11.47987877    -15.15059149
  H     17.46176776     13.67046064    -16.34457277
  O     17.14219084     12.94950952    -16.90357757
  H     12.71345945     10.23827920    -15.31768605
  H     17.74953249     12.21747903    -16.74931062
          69
 Energy    -250.42817937113028     
  O     -4.15734835      0.11655786      3.61221707
  H     -4.03431200      1.07226468      3.69162296
  H     -6.21204611     -4.09623417      1.99020976
  O     -0.45752752      4.09266573      2.04943975
  H     -3.28496015     -0.27631140      3.47123126
  H     -3.58104625      1.27787157     -0.03971761
  O     -1.71303510     -0.94375086      2.89582214
  H     -1.33647232      4.12815918      1.63868035
  H     -3.17314961      1.63711771     -1.49229564
  O     -4.02831173     -1.28301533     -2.34350786
  H     -0.05914782      4.94922490      1.91354156
  H     -6.02536393      5.41242471     -0.24760038
  O     -1.80792996     -2.42557267     -0.96090964
  H     -1.46359104     -0.61903834      2.01865478
  H     -5.81332921      3.91590603     -0.58292587
  O     -4.85879189      0.67068403      0.99939048
  H     -1.05965595     -0.58453907      3.50870046
  H      0.42658055      2.40601814      1.83763705
  O     -6.28889257      2.85737632      2.14165545
  H     -3.24284065     -1.67658644     -1.94519990
  H      0.31589704      0.97729069      1.24559312
  O     -7.97483357      0.40731396     -0.88114504
  H     -4.75391067     -1.44783565     -1.72605495
  H     -3.81172833      4.33992943      0.66041354
  O     -3.82188579      2.90052363      3.49029156
  H     -2.25064824     -2.69895605     -0.13596689
  H     -2.85566990      3.16508379      0.37423905
  O     -4.12707944      1.30811149     -3.05244040
  H     -1.30372535     -3.17655712     -1.26284157
  H     -7.17479268     -0.61644855      2.91692759
  O     -5.99986313     -1.42852829     -0.36147327
  H     -4.57063028      0.33145644      1.85759276
  H     -5.79298137     -0.79376133      3.60064969
  O     -5.79442703     -3.27998359      1.73064867
  H     -5.46603043      1.39260547      1.20341293
  H     -0.83004072      2.10332493      4.63426044
  O     -2.87297391      1.67039065     -0.57686478
  H     -5.57515719      2.92981032      2.79001090
  H     -0.91565158      3.39853614      3.81104388
  O     -5.57849907      4.62308788      0.04601201
  H     -6.15625214      3.56502746      1.49939657
  H      0.53358999      0.85177795      3.48092914
  O      0.79812242      1.51662306      1.88713112
  H     -7.35429632     -0.33210585     -0.76738927
  H      1.00209418      0.27228773      4.83905152
  O     -2.98714531      3.93293317      0.95160325
  H     -8.71864988      0.06705468     -1.37284519
  H     -7.61893483      1.53764736      2.17877657
  O     -6.58080765     -1.27165465      3.31005313
  H     -3.55152825      3.22112834      2.61984017
  H     -8.18634562      0.63576796      1.07239699
  O     -1.30135874      2.94236022      4.56950332
  H     -3.02497358      2.94787094      4.03882980
  H     -2.60061690     -2.43705164      2.07866370
  O      0.22471535      0.49876459      4.33571663
  H     -3.90394844      1.41921882     -3.97227905
  H     -3.91317927     -3.11526807      1.58267150
  O     -8.09786842      0.71109183      2.02849255
  H     -4.10073212      0.35069734     -2.86872055
  H     -1.55885583      0.58812228     -0.02406803
  O     -2.97303125     -3.00903459      1.39602797
  H     -6.01288389     -2.17552146      0.24871344
  H     -1.08749654     -0.87469373     -0.17537438
  O     -0.93798802     -0.06553980      0.32838365
  H     -5.57739472     -0.69825537      0.11970793
  H     -6.87619057      1.87980218     -1.36293069
  O     -6.23048263      2.56332716     -1.57961548
  H     -6.11097122     -2.59305285      2.34736748
  H     -5.56406358      2.14503119     -2.13823987
          69
 Ord_Energy   -250.428146    
 O   -6.24381018       7.28827429       3.64740252    
 H   -5.94445372       7.98578739       4.24368238    
 H   -5.96058416       7.55887508       2.76665306    
 O   -3.96263742       7.52182341      -1.48751295    
 H   -4.12616348       8.38510990      -1.88725853    
 H   -4.29149914       7.57568455     -0.579677284    
 O   -2.62040019       7.26741648       2.49850988    
 H   -2.37252855       6.34444189       2.34557390    
 H   -2.63172698       7.43582773       3.44851828    
 O   -4.20942497       10.2182112      -2.26635742    
 H   -4.53437710       10.7283020      -3.00278234    
 H   -3.24268222       10.3439693      -2.23772717    
 O   -1.31667042       4.78356647     -0.959005475    
 H   -2.19150662       4.63481045      -1.33721447    
 H   -1.06124949       5.67313528      -1.23402596    
 O  -0.410839260       8.19441509       1.20849466    
 H   0.281315237       7.91184425       1.81616890    
 H   -1.23994637       7.93456936       1.64079154    
 O   -4.87743759       7.79528189       1.15155613    
 H   -4.82943630       8.74681950      0.983203411    
 H   -4.08168936       7.58705854       1.67137909    
 O   -2.04773378       4.66384745       1.68990982    
 H   -2.99657321       4.56136084       1.54785454    
 H   -1.64689839       4.66840506      0.808083355    
 O   -1.46658480       10.7275362      0.871135175    
 H   -1.39138401       11.1762590       1.72203362    
 H   -1.00798583       9.88114071      0.976970077    
 O  -0.492968738       9.33642578       4.63039827    
 H   0.117462531       8.69182777       4.25526905    
 H   -1.23869979       8.82352161       4.97272825    
 O   -4.24022293       10.4352627      0.583239675    
 H   -3.27887106       10.5077372      0.687487364    
 H   -4.40648508       10.5096483     -0.363254994    
 O   -1.08912551       7.59157419      -1.42971921    
 H  -0.779292762       7.76126003     -0.527207077    
 H   -2.05503201       7.55620813      -1.39801216    
 O   -4.79437065       4.83670378       1.00509822    
 H   -4.65724325       4.65872955       6.56485707E-02
 H   -5.01967907       5.77266884       1.06346989    
 O   -2.93528962       5.05343199       5.63502979    
 H   -3.08648014       4.46187782       6.36715937    
 H   -3.66717958       4.91240740       5.00686932    
 O   -1.53237832       10.3679285      -1.93304133    
 H   -1.20719576       9.45812416      -1.93972504    
 H   -1.40242767       10.6817875      -1.02799952    
 O   -4.10759735       4.78687239      -1.76078176    
 H   -4.09001493       5.75796652      -1.80198240    
 H   -4.52133179       4.48342800      -2.56512284    
 O  -0.562694788       5.10230970       3.98821855    
 H   -1.26397216       5.04904938       4.64715862    
 H  -0.958772898       4.76475382       3.17202473    
 O   -4.99444151       4.83197498       3.89708972    
 H   -5.50641823       5.65517187       3.91686916    
 H   -5.00627279       4.55217361       2.97695804    
 O   -5.09279299       9.30865860       5.28056097    
 H   -5.55342913       9.80057240       5.95493937    
 H   -4.80957317       9.95185661       4.60532427    
 O   -2.72910500       7.80326128       5.24514437    
 H   -2.83701587       6.88753891       5.53343201    
 H   -3.56818938       8.26639652       5.36547565    
 O   -4.20294952       11.0054865       3.38240838    
 H   -4.37038183       10.9179220       2.43694830    
 H   -3.27855873       11.2709923       3.47092390    
 O    1.05026460       7.23517561       3.42449808    
 H    1.95305920       6.98266125       3.59893298    
 H   0.499205947       6.46591806       3.65443730    
 O   -1.42419910       11.6157637       3.52740502    
 H   -1.05196571       10.8118496       3.93400979    
 H   -1.01982987       12.3592215       3.96612334    
          69
 Energy    -250.42814173884528     
  O     13.02438365      8.86157176    -16.77307899
  H     12.80269728      8.83248480    -15.82446342
  H     19.82138874      7.66568967    -11.84552397
  O     16.68487997      6.07576448    -12.46216316
  H     12.21021341      9.02211222    -17.24244579
  H     16.74530084      9.86202734    -17.50285091
  O     20.21779898     10.71275807    -12.79494514
  H     16.81285192      5.21527495    -12.87613555
  H     18.21960452      9.78205201    -17.09027826
  O     14.19897631      4.83942172    -14.76696162
  H     16.56313399      6.69046197    -13.20320560
  H     17.43689197      7.52373508    -14.89144980
  O     15.62534825     10.83657568     -9.85224494
  H     19.38283304     10.68333179    -12.29795813
  H     15.95138982      7.31974445    -15.36733252
  O     14.38450829      7.10618774    -11.32566485
  H     20.74626829     11.40585251    -12.40692495
  H     12.43126955      7.79836940    -13.78396491
  O     16.16660456     10.24959312    -14.01895290
  H     15.04983406      4.43265179    -14.56838321
  H     12.96585086      9.20737908    -13.44520739
  O     18.19222687      5.26845137    -16.25520843
  H     14.35547471      5.41788276    -15.52674199
  H     18.03238749      8.59296556    -11.13835114
  O     15.88699167      8.22580646     -9.20763524
  H     15.42536982     11.39808208     -9.10872168
  H     17.73487462      7.07878671    -11.35423738
  O     19.26377706      7.51705020    -15.04054951
  H     15.69584450      9.92594824     -9.51017098
  H     13.08399499      5.57458330    -13.67578659
  O     16.87590480      3.92117321    -14.27513919
  H     13.64026843      6.70526752    -11.79085927
  H     11.71256984      5.48733579    -12.96304151
  O     20.43690849      7.82582289    -12.57195466
  H     15.17727471      6.66634355    -11.66619036
  H     19.43999330     10.54345117    -14.53297072
  O     17.58199899      9.41896547    -17.71212905
  H     15.40932192     10.24006382    -13.41687132
  H     17.95886856     10.47379534    -14.94441378
  O     16.50820423      7.66925645    -14.66107060
  H     16.28733024      9.32371628    -14.29275029
  H     17.09600511     10.67154491    -11.00152429
  O     12.51805130      8.69622091    -14.12915824
  H     17.81708033      5.67386617    -17.04497588
  H     17.21754779     10.35988943    -12.51161445
  O     18.20819546      7.70831989    -10.78946022
  H     18.75937041      5.95060916    -15.86790591
  H     17.30251711      7.77136586    -18.16711146
  O     12.47453771      6.04802160    -13.08031908
  H     15.24946573      7.75785512     -9.76358304
  H     17.23453488      6.73784584    -19.31506303
  O     18.85406851     10.31422992    -15.26590612
  H     16.75703602      7.95356433     -9.52769681
  H     14.29384920      8.86138837    -11.85242009
  O     17.71894008     10.39589920    -11.68546333
  H     19.22483352      8.45278891    -15.27261818
  H     14.51548439     10.29941793    -11.34396574
  O     17.05625566      6.85393940    -18.38579055
  H     19.71696440      7.47489885    -14.18547513
  H     15.46773707     10.65704136    -15.80310621
  O     14.20978121      9.79371493    -12.10543704
  H     17.20474909      3.02644705    -14.25156487
  H     14.46325801     10.07750764    -16.81270635
  O     15.27310138     10.59837890    -16.74535728
  H     17.34542588      4.36869676    -15.00147778
  H     14.21224289      7.44704500    -16.85080624
  O     14.84000450      6.72773814    -16.70400987
  H     20.55451811      8.78257736    -12.60797391
  H     15.50245017      6.74692959    -17.40693186
          69
 Energy    -250.42799250592890     
  O     11.34507159     10.01024138    -12.42512203
  H     11.73563792     10.79442621    -12.02446360
  H     15.61330981      8.03813735    -16.50785352
  O     16.27354848      7.79673593    -14.87905055
  H     11.55934751     10.06587870    -13.36720547
  H     18.99978011     10.97079890    -15.21666749
  O     17.43102023      9.80175055    -10.99238630
  H     15.84580099      7.14581527    -14.30432865
  H     19.35339873     11.13503523    -13.72622154
  O     16.52798310     12.40351230    -13.97746913
  H     17.10747174      8.02163372    -14.44601182
  H     14.83857232     13.15536252    -13.77190493
  O     12.47643760      7.80448726    -16.36047871
  H     16.50575066     10.08451124    -11.03252835
  H     13.56026111     13.13895813    -14.62279026
  O     17.03934288      7.31888748     -9.89415083
  H     17.43495765      8.98628646    -10.47073403
  H     15.51161286     10.84695002    -14.05699777
  O     15.36817754      6.06083194    -12.93160225
  H     17.20442166     12.34752393    -13.29169050
  H     15.42235835      9.30052365    -14.29982174
  O     14.73703654     10.30172393    -11.24541739
  H     16.98955099     12.37666511    -14.82596718
  H     11.52424203      8.35667814    -11.91835512
  O     17.85911873     11.96505177    -16.39991926
  H     12.56486321      7.18007326    -15.62336024
  H     10.84750495      7.10501566    -11.31363649
  O     18.09487358      5.86040093    -12.15862482
  H     13.34169642      7.86718205    -16.77963419
  H     12.31884859      6.61830951    -13.31026935
  O     15.47112190     11.09847459    -17.27206672
  H     16.08405407      7.27956524    -10.03702190
  H     13.64489122      5.98801298    -13.75543517
  O     15.16589523      8.26040717    -17.34165653
  H     17.42674235      6.68968341    -10.51395761
  H     19.08289504     12.52959541    -11.50104789
  O     19.49125599     10.56373998    -14.49261213
  H     16.25668587      5.78868186    -12.67385942
  H     18.27320148     11.21937844    -11.63163974
  O     13.88877031     13.33219744    -13.73701317
  H     15.01835223      6.58656595    -12.19655906
  H     18.04127459      8.85405129    -12.48735993
  O     14.95602372     10.06478714    -13.94104811
  H     14.09549200     11.00728491    -11.10939339
  H     18.92217179      9.04666078    -13.74822549
  O     11.66949687      7.42448033    -11.67633664
  H     14.76431074     10.15668056    -12.20524351
  H     12.38444506     12.72872886    -16.90161510
  O     12.77532445      6.25281006    -14.07761422
  H     17.02632235     11.62405616    -16.77440975
  H     12.70957358     11.59463039    -15.90102121
  O     18.62459399     11.97752174    -12.12934885
  H     18.22831612     12.55557398    -17.05138795
  H     14.45178685      8.52994642    -10.87932330
  O     18.43031598      8.38614424    -13.23884094
  H     18.33852678      6.69983839    -12.58372088
  H     13.39548947      7.41674955    -10.98801067
  O     13.07110897     12.38943601    -16.33308027
  H     18.84245769      5.27599086    -12.25520023
  H     12.43525774     13.02926568    -10.94066611
  O     14.33427680      7.57143327    -10.81992107
  H     14.65722997     11.54123845    -17.00486062
  H     13.14441417     12.70672539    -12.27512074
  O     12.78780749     12.31144214    -11.45964034
  H     15.27585880     10.15631100    -17.34485718
  H     12.29736058      9.33095712    -15.51585565
  O     12.39648028     10.14411593    -14.99793465
  H     15.55433361      7.70771715    -18.01603114
  H     13.27593340     10.11213167    -14.59164216
          69
 Energy    -250.42754547779845     
  O     12.37145906      3.14710042    -13.95364625
  H     13.27204130      3.01685843    -13.62968994
  H     17.88444893      5.20261918    -19.69380916
  O     20.61361462      5.51297171    -17.36287847
  H     12.39385796      2.93028069    -14.89620243
  H     15.30191447      4.39122880    -19.92533080
  O     15.17505904      3.29059439    -13.46369126
  H     20.57810862      6.40878558    -17.00401445
  H     13.90969531      5.02718729    -19.73015628
  O     13.21022373      6.66037203    -19.03324501
  H     20.20745291      4.93974008    -16.70130714
  H     18.71513537      3.73676930    -14.61878014
  O     18.45451962      8.22124669    -18.70070864
  H     15.22114004      3.46099819    -14.41786125
  H     18.48519530      3.63804810    -16.15599941
  O     15.76816614      6.70596125    -15.57236510
  H     16.08681218      3.17097138    -13.17640338
  H     18.64146825      5.83236772    -15.07806547
  O     17.44218918      3.00793626    -17.48275685
  H     12.56212230      7.18361438    -19.49732935
  H     18.99118860      7.33186287    -15.30820325
  O     12.79455447      3.00035919    -16.73616969
  H     12.79371253      6.37296510    -18.20066992
  H     14.76170846      5.08258368    -13.15369753
  O     17.96614607      3.43440721    -12.86845460
  H     17.51580460      8.01748420    -18.59381617
  H     13.62825312      6.11865643    -13.29692131
  O     20.05791874      8.20333622    -16.51893921
  H     18.82523810      7.51257071    -19.24101159
  H     11.99513345      5.91453437    -15.83331111
  O     15.26372354      4.01371898    -16.11866401
  H     15.27653027      6.61779877    -14.74584168
  H     12.19955752      4.75184022    -16.81868855
  O     17.00174354      4.95414543    -19.39205747
  H     16.70330540      6.77910117    -15.33133520
  H     15.06734016      1.10226166    -18.53971676
  O     14.35495941      4.21564526    -20.00133552
  H     17.33763921      3.63976620    -18.20906465
  H     15.74665392     -0.01750959    -17.73828363
  O     18.99604152      4.09319276    -15.46996683
  H     17.01612878      2.17983139    -17.74585615
  H     14.94426098      7.15996995    -18.59636686
  O     18.41024245      6.73692961    -14.81971037
  H     13.67911860      3.35754816    -16.55084264
  H     15.78521568      7.13890059    -17.29859793
  O     14.57707494      6.03349579    -13.14203698
  H     12.87977409      2.49413042    -17.55022357
  H     16.39373641      6.20353924    -12.43664467
  O     12.08313993      5.71108556    -16.77015687
  H     17.77925071      4.35047969    -12.59352533
  H     17.77237863      6.44017988    -13.09129913
  O     15.91419587      0.82072577    -18.16329527
  H     18.45245132      3.02925375    -12.15475849
  H     20.27326469      5.70849598    -20.51986592
  O     15.84645099      7.23085764    -18.26093824
  H     20.57750573      9.00024981    -16.46361428
  H     20.00124327      5.65492018    -18.99701647
  O     17.33696889      6.02961047    -12.33060863
  H     19.47063118      8.29990452    -17.29055248
  H     13.78913134      2.66677222    -19.53807993
  O     19.59718724      5.84700214    -19.86247388
  H     16.01921571      3.64406816    -16.59217045
  H     12.94577573      1.42139371    -19.90202662
  O     13.49036047      1.79590038    -19.21506563
  H     15.41354742      4.96186660    -16.01395931
  H     11.05326575      6.02495631    -13.42593521
  O     11.86398035      5.82287179    -13.88577664
  H     16.62171689      5.73767933    -18.96800123
  H     11.96403595      4.85361693    -13.86239255
          69
 Energy    -250.42737929291900     
  O     12.12626455      9.59401715    -10.99987210
  H     12.11463618      9.01423169    -11.77196893
  H     13.93431986      7.96909015    -13.01006622
  O     12.15239240      7.63654175    -13.00301257
  H     11.42649415     10.25023658    -11.09860931
  H     14.03015149     14.38775743     -8.75228093
  O      8.73649284      9.77444259    -12.53910790
  H     11.51545902      7.95698354    -13.65326720
  H     13.52243909     13.29752806     -7.77418113
  O     14.46101345     10.56960351    -10.05815289
  H     11.69283868      7.05387892    -12.37952922
  H     10.50492576     13.15595320     -8.53721332
  O     15.33777078      7.87991251    -10.07668950
  H      9.22426726      9.41270756    -13.28890534
  H     10.37070977     12.05219791     -9.62240122
  O     11.92852209     15.32826972    -11.12197369
  H      8.72630067      9.10048938    -11.84730859
  H     12.40677294      8.31379725     -9.73243743
  O      8.75785348      8.02771012    -10.26499629
  H     14.99811317      9.77308982     -9.98515268
  H     12.59382871      7.96206529     -8.23895722
  O     12.02250179     13.15363440    -12.79689614
  H     13.62262807     10.27801543    -10.45748716
  H     12.55495675      9.89152905     -7.02833775
  O     14.69818695     14.76377029    -10.50301693
  H     14.45923756      7.67719616     -9.71289987
  H     12.30155426      8.98310961     -5.80365754
  O     10.93559454      6.32599808    -10.92066255
  H     15.94267010      7.24388876     -9.70385083
  H     14.87683004     11.95339209    -12.82067541
  O     10.96043029     14.97152456     -8.42052865
  H     12.86875080     15.28800845    -10.90658122
  H     14.67749078     11.83200057    -11.29289595
  O     14.83208074      8.31600296    -12.89837004
  H     11.46794622     15.25921013    -10.27754174
  H     10.09241451      8.84954188    -15.60746445
  O     13.53871475     14.24959913     -7.93255840
  H      9.10487712      8.57186820     -9.53674947
  H     11.00606225      9.75189455    -14.74283558
  O     10.50772722     12.20158875     -8.67282521
  H      7.90674731      7.70598471     -9.97632639
  H      9.63073099     11.10196622    -11.80174985
  O     12.75141488      7.63314961     -9.13197960
  H     11.85887647     13.98915805    -12.33508477
  H     10.78765750     12.17734138    -11.90262644
  O     12.20481981      9.02774817     -6.75129826
  H     12.91467948     12.88616268    -12.53957496
  H     10.47084676      9.24508258     -7.63824165
  O     14.67820698     12.46521647    -12.02644421
  H     14.76476926     13.98845214    -11.08381605
  H      9.85827764     10.48392679     -8.30341543
  O     10.40867949      8.98168585    -14.71784626
  H     15.44776759     15.31920660    -10.70419896
  H     11.97619895     11.85700581    -14.15564749
  O     10.26731266     11.63123668    -11.29927446
  H     11.55702851      6.51203069    -10.20623241
  H     13.09296509     10.89214962    -14.58814264
  O      9.74534293      9.52912645     -8.20414073
  H     10.14339171      6.83969021    -10.71248271
  H     15.58374476     10.61589760    -14.89164193
  O     12.14560308     11.05447693    -14.66574471
  H     11.88423083     14.79000640     -8.16945398
  H     14.95431437      9.83011084    -13.71708597
  O     14.95880643     10.69023927    -14.17524806
  H     10.64702242     15.66148503     -7.84192023
  H     12.17082748     11.69162453     -8.15905816
  O     13.04064768     11.42807108     -7.81870953
  H     15.08478978      8.12057360    -11.99016503
  H     13.58994835     11.16646567     -8.57095231
          69
 Energy    -250.42690494700298     
  O     10.45262892      2.41866181    -21.71826531
  H     10.57007459      1.69495847    -21.08086490
  H      8.05041975     -1.11181086    -21.26705101
  O     11.74407622      4.45481770    -20.35590126
  H     10.90889836      3.18189895    -21.33818035
  H      9.71348736     -1.31070699    -17.27634644
  O     10.86072472      0.58682772    -19.77345155
  H     12.35236968      3.99592890    -19.75840899
  H     10.59766730     -2.10024214    -18.25212955
  O     12.89945146     -0.27495288    -16.91391994
  H     12.28666201      4.88474252    -21.02881112
  H     13.65293098      2.16130418    -19.05751409
  O     13.58157167      0.44687302    -19.58477101
  H     10.66701904     -0.35838012    -19.79798860
  H     13.25246040      2.97954879    -17.81565484
  O     13.80805961      3.18063997    -23.99008077
  H     10.54724424      0.95497561    -18.93745124
  H     11.38096362      1.63813329    -23.03799615
  O      8.17000593     -0.09684790    -17.37859409
  H     12.11611803     -0.83795767    -17.00042274
  H     11.44498417      0.29756082    -23.80651397
  O     10.61673833     -2.18830559    -20.12153160
  H     13.29777566     -0.21386836    -17.79069730
  H     13.29136029     -1.68168896    -22.08427655
  O     10.64169512     -1.31585624    -23.62361691
  H     13.88211236      0.24041945    -20.47619445
  H     13.29924706     -3.22346898    -22.15575166
  O      7.45891262      0.07242410    -20.15177476
  H     12.61386834      0.49477326    -19.64330511
  H     14.81583364      4.47457733    -21.25276981
  O     13.49640560      5.33155808    -22.36354785
  H     14.60622786      2.74362496    -23.66999334
  H     14.87114301      3.64963124    -19.95380906
  O      8.43401235     -1.80260402    -21.83643350
  H     13.13068887      2.49285831    -24.04071461
  H      9.70667027      2.76229224    -17.90262251
  O     10.56632380     -1.75301076    -17.35037574
  H      8.75944830      0.67438518    -17.30747720
  H     10.76927264      2.10383001    -16.95953117
  O     13.55416661      3.06735728    -18.72666926
  H      7.55912760     -0.04272149    -16.64751581
  H     12.66148103      1.33781788    -16.37893293
  O     11.92907283      1.11984081    -23.64459240
  H      9.83902329     -2.19049914    -20.69527939
  H     12.71551006      2.46576250    -15.31649289
  O     12.73516545     -2.47219338    -21.98842985
  H     11.38436728     -2.34449044    -20.68597772
  H     13.32101713      0.35979410    -22.75689116
  O     15.36139257      3.84757628    -20.76179631
  H      9.83711565     -1.41688391    -23.10068477
  H     14.82732482      0.50024021    -22.42163131
  O      9.96551368      1.93660481    -17.46524206
  H     11.31343555     -1.83953726    -23.17058353
  H      7.29558734      3.17869459    -21.69902432
  O     12.46165652      2.27942215    -16.21591359
  H      7.51697815      1.00848887    -20.37736660
  H      8.71881581      2.65675516    -21.39500522
  O     14.05915709     -0.07163457    -22.29988550
  H      7.64591487     -0.00211995    -19.20812547
  H     15.82476287      2.57813921    -21.87501446
  O      7.83125007      2.78064547    -21.01683925
  H     13.55217271      4.59819008    -23.00244282
  H     16.92721914      1.95817302    -22.76457151
  O     15.99343058      1.92262200    -22.57548452
  H     13.61422965      6.13766038    -22.85865215
  H     10.09757787      4.40976772    -19.40256171
  O      9.30049673      4.13780162    -18.92777222
  H      7.71487232     -2.37547311    -22.09015720
  H      8.68996391      3.79797425    -19.59315443
          69
 Energy    -250.42681372363356     
  O     -8.71112825     -3.25731421      5.46865508
  H     -8.88897885     -3.01013655      4.54549700
  H     -3.25222579      1.82117621      3.70662560
  O     -9.33741675     -2.24993305      2.98535864
  H     -8.77298542     -4.20828207      5.51526602
  H     -6.98063223     -0.38649313      3.75987013
  O     -4.95416187      1.29554591      1.03108171
  H     -8.81858698     -1.43920985      3.12037450
  H     -8.21195457      0.34787578      4.40513449
  O     -6.62966305      0.75578608      7.31175753
  H    -10.26292267     -1.98224480      3.04371621
  H     -5.91571980     -1.68430529      5.41091213
  O     -5.43028906      5.67033771      2.56124049
  H     -5.86740501      1.59201900      1.17480322
  H     -7.19083407     -2.26968275      6.05358146
  O     -9.54152926      0.67347285      0.32572595
  H     -5.00842214      0.35105995      0.84573430
  H     -2.73534367      3.89765252      4.15518666
  O    -10.64292905     -1.21740309      6.09422972
  H     -6.52286392     -0.15342130      6.97802748
  H     -1.25170910      3.53503714      3.89752304
  O     -5.29814445     -1.19601424      3.73902354
  H     -6.41217840      0.73691812      8.23978724
  H     -9.74741170      2.28136498      4.80389840
  O     -3.79660507      3.86483177      1.33415495
  H     -5.42563353      6.49617104      2.08482152
  H     -9.24425070      3.39860841      3.87232519
  O    -11.87659684     -1.12390444      3.47441373
  H     -4.88074298      5.04921562      2.05073872
  H    -12.16463601      1.97069459      1.99511986
  O     -5.42999940     -1.51289311      0.91983916
  H    -10.26354767      0.83865773      0.94098692
  H    -10.96174033      1.92326711      2.95989115
  O     -4.01612072      1.23524604      3.64714165
  H     -8.82820043      1.25371371      0.62778727
  H     -8.60518465     -0.90368654      0.30603877
  O     -7.85434193     -0.01478430      3.58408805
  H    -11.15156899     -1.19776907      5.27407024
  H     -8.54694673     -2.12084273      1.23813356
  O     -6.42031801     -1.71874326      6.23535993
  H    -10.04466094     -1.97103341      6.01808070
  H     -8.32057507      0.97724367      6.53207572
  O     -2.14341772      3.32096154      3.63873502
  H     -5.31056292     -1.43664806      2.80390496
  H     -9.64114594      0.25766571      6.09427203
  O    -10.01080378      2.84468882      4.06221549
  H     -4.72276203     -0.42070444      3.81522958
  H     -4.66148765      4.11686445      5.24042567
  O    -11.51364894      1.38084889      2.36746258
  H     -4.13537244      3.00596035      1.05022860
  H     -4.51437790      5.24655575      4.20525057
  O     -8.09173649     -1.70202052      0.49848824
  H     -3.11011586      3.67997314      1.98685557
  H     -6.05383932      2.03063167      6.05242002
  O     -9.05284186      1.00470344      5.90638993
  H    -12.76450933     -1.40639346      3.26873260
  H     -5.21577123      2.08591065      4.74569003
  O     -4.04506181      4.78559941      4.91212146
  H    -11.77250681     -0.23587187      3.09497983
  H     -7.53133758      2.77510687      2.24055004
  O     -5.79730252      2.60336622      5.32103006
  H     -6.38388087     -1.57487236      0.72996548
  H     -7.68117241      1.24154878      2.31758800
  O     -7.50139326      1.97279001      1.70554286
  H     -5.00045988     -2.15497438      0.36076309
  H     -6.96824773      3.52969159      4.24199427
  O     -7.47663080      4.02437573      3.58213835
  H     -4.33385891      1.28910328      2.73292641
  H     -6.88074203      4.69392107      3.22470310
          69
 Energy    -250.42539536891994     
  O     18.93175523     10.06586051    -11.17079325
  H     18.09673924      9.82430698    -10.73172824
  H     16.69536398      0.92553081    -16.68481120
  O     16.97818176      6.94405436    -15.29752302
  H     19.36714729     10.69571320    -10.60268161
  H     16.38760300      3.39102095    -15.83681637
  O     14.17697482      3.68027231    -12.17096275
  H     16.54071457      7.09166620    -14.44370103
  H     15.38567101      4.44659589    -15.29794581
  O     13.59664820      1.03107007    -12.90561221
  H     16.85830937      6.00795188    -15.50508158
  H     15.06580794      6.84193814    -12.39740904
  O     14.81471013      8.64585170    -15.97242063
  H     13.88080336      2.76789680    -12.27284740
  H     15.60549693      8.24528426    -12.69670796
  O     15.64010312     11.01487676    -14.62978274
  H     15.13858476      3.67549936    -12.29189274
  H     19.85851906      7.71635086    -13.13108047
  O     19.41762360      8.11750640    -14.96023455
  H     12.96098306      0.35162314    -12.69889167
  H     19.67098653      8.43578949    -11.78271769
  O     13.89251158      6.19068036    -11.09157402
  H     13.45774773      1.27494428    -13.83864527
  H     14.98701427     10.36355230    -12.99604701
  O     16.42154539      1.01148051    -13.47538757
  H     15.06034217      9.49222235    -15.57855080
  H     13.95606294      9.44254004    -12.25520046
  O     18.15375311     10.41575339    -13.87535577
  H     15.60393300      8.09100332    -15.93276593
  H     13.28499618      5.52190214    -14.84982830
  O     13.44822596      1.91297141    -15.47768889
  H     16.56829490     10.83968311    -14.38750410
  H     13.72938939      4.41172836    -13.83780416
  O     16.22444620      1.54765117    -16.13742935
  H     15.60195395     11.91463621    -14.94252420
  H     13.42358913      7.76462202    -15.40957217
  O     16.32641081      4.27858609    -15.46439910
  H     18.57697584      7.66347527    -15.14238056
  H     11.93386024      7.43053448    -15.65222349
  O     15.77611482      7.30803195    -12.85639302
  H     19.96853323      7.99757149    -15.72933185
  H     12.84971308      7.56865146    -11.84128553
  O     19.90668915      7.58517100    -12.17617735
  H     14.54117203      6.30122136    -10.38475383
  H     12.52814176      7.95181414    -13.29856574
  O     14.83138385      9.85564116    -12.19152825
  H     13.88408908      5.25495757    -11.33728450
  H     17.12682270      6.50960901    -11.99253470
  O     13.67099457      4.64071244    -14.77532641
  H     15.51683872      0.88737617    -13.16287425
  H     18.63318448      6.45334643    -11.65092859
  O     12.67016445      7.24723262    -15.07337897
  H     16.72361056      1.84714506    -13.09352236
  H     15.88429269      9.62754965    -10.71972646
  O     12.57326633      8.30659334    -12.40222406
  H     18.41116804     10.38239683    -12.94557625
  H     16.34473100      8.49912646     -9.76119574
  O     17.78813069      6.01088253    -11.48816206
  H     18.64038748      9.70555806    -14.31056200
  H     16.38559939      6.22911014     -8.52904103
  O     16.56064634      9.38472591    -10.07019528
  H     13.38173524      2.87291788    -15.38198492
  H     16.80372340      6.31308950    -10.01545190
  O     16.12485140      6.58541907     -9.37479850
  H     14.31668221      1.74463266    -15.86408820
  H     16.82256486      3.96651933    -13.68218387
  O     16.89157101      3.69906384    -12.75502393
  H     16.36165086      1.27195997    -15.21298398
  H     17.33337153      4.41261391    -12.27721504
          69
 Energy    -250.42491613686553     
  O      1.82763994      2.35291869      1.85508273
  H      2.64245380      2.84168236      1.92716792
  H     -2.35208134     -1.80825078      4.61144462
  O     -2.47372101     -2.52176870     -2.79078682
  H      1.85555768      1.65073586      2.53305098
  H     -4.78569037      2.71633470      2.69748129
  O      1.66607469      0.34739701      3.63009354
  H     -1.80539401     -3.12054247     -2.43719170
  H     -5.75376428      3.39708902      1.70084883
  O     -3.14572476     -1.18809749     -0.42850961
  H     -2.90138362     -2.13060899     -2.01505687
  H     -0.66963899      1.63831385      5.60387359
  O     -0.26739230     -3.83296138     -1.43473748
  H      1.10225835      0.51413768      4.40008796
  H     -0.82048585      0.10732623      5.63536954
  O      0.90572429     -1.46816239     -2.10745800
  H      1.26206026     -0.38525576      3.14980711
  H     -3.37952896      3.01818688      0.74883994
  O     -4.33972028      2.43322834      4.36165563
  H     -2.57772938     -0.44131787     -0.66667694
  H     -2.29268733      2.43140336     -0.20311246
  O     -2.75800795     -3.29493316      3.45049867
  H     -3.80358388     -0.83153197      0.18184876
  H     -3.60479985      0.16818346      1.95294021
  O     -0.83190201      2.96299008      2.55602813
  H      0.27709319     -4.55379140     -1.73978535
  H     -4.86141675      0.95550559      1.53278164
  O     -1.18358220     -0.29756329     -3.69397975
  H      0.21438076     -3.01260212     -1.64491334
  H     -1.58670062      1.26887951      2.68242011
  O     -4.88878586     -0.11770968      5.56030831
  H      0.32625945     -1.04170627     -2.75081821
  H     -2.03548852      0.06724886      3.58633297
  O     -2.24885890     -0.98318672      5.10176041
  H      1.08570012     -0.79756239     -1.43588339
  H     -1.20757456     -3.56804144      0.15850426
  O     -5.01905784      2.79204889      1.75406689
  H     -3.47600239      2.70394930      4.69625438
  H     -2.25226351     -2.47568446      0.46271874
  O     -0.16634579      0.81813924      5.66283218
  H     -4.55551461      1.59999777      4.79693627
  H      0.68585952     -0.21305556      0.61273104
  O     -2.48095509      3.14405938      0.42146358
  H     -2.67785525     -4.19054215      3.77217600
  H      1.32498377      1.18182632      0.44554818
  O     -4.49810515      0.06417580      1.58595196
  H     -2.38973217     -3.29696371      2.55254132
  H     -1.48393699      4.05286751      5.50020319
  O     -1.97661326      0.38580711      2.67547786
  H      0.08510168      2.84597011      2.28186290
  H     -1.35612143      3.21912463      4.20341678
  O     -1.71393685     -3.16826018      0.87662210
  H     -1.37059432      3.14292407      1.76901480
  H     -1.47046924      0.71891581     -2.11729259
  O      0.92452138      0.45671781     -0.04662608
  H     -1.69550098     -1.09888042     -3.48282753
  H     -0.69553559      0.86670560     -0.78453064
  O     -1.70127705      3.20783110      5.11396723
  H     -1.31790641     -0.11971553     -4.62065338
  H     -0.37166199     -2.05610690      1.56895262
  O     -1.56603295      0.98066838     -1.19300262
  H     -5.12620125     -0.73247230      4.84252466
  H     -0.63955372     -0.67152265      2.17461477
  O      0.07406756     -1.27516412      1.91377865
  H     -5.51048259     -0.26413835      6.26826711
  H     -5.11552968     -1.19256551      2.74851287
  O     -5.23981410     -1.81338343      3.48198491
  H     -3.12984731     -0.70837650      5.38924019
  H     -4.49697909     -2.42637977      3.43515364
          69
 Energy    -250.42308367056779     
  O     16.80354056      9.48903242    -15.71523050
  H     16.84149303     10.44413600    -15.84964361
  H     13.99343386     11.68228019    -14.51929055
  O     14.99891967      8.48582665     -9.48487799
  H     15.92715029      9.16609849    -15.96981615
  H     15.87430260      4.26062623    -14.71423140
  O     17.03696172     12.27654339    -15.59825643
  H     15.08582210      8.29208247     -8.55538552
  H     16.80761821      3.08623202    -14.33379725
  O     13.17293323     10.14875666    -10.99469241
  H     15.80470890      8.96106799     -9.75022977
  H     15.01794770      7.50226428    -11.11342545
  O     14.34895594      8.34638191    -16.24236219
  H     17.35150829     12.97894015    -16.16030868
  H     15.33713584      8.19930219    -12.45311965
  O     18.72956396      7.73188557    -14.96778672
  H     17.66220339     12.20544015    -14.85290018
  H     18.19120235      6.35708617    -16.21118164
  O     20.22230446      9.49643255    -13.48644841
  H     13.67394502      9.58033518    -10.40134867
  H     17.50277339      5.00644352    -15.94738677
  O     17.56832341      6.24055445    -12.90765851
  H     13.65085362     10.99071390    -11.02484792
  H     17.53115316     11.46571696    -10.62886480
  O     11.71055293      9.20964883    -13.07650977
  H     13.99281946      7.89805665    -15.46172257
  H     18.04417248     12.83222352    -10.11839488
  O     14.71805163     12.44197377    -11.27851875
  H     14.59010288      7.65250773    -16.86896312
  H     15.22211531      5.87403366    -18.64073236
  O     12.84867588     10.58263384    -15.31359096
  H     18.31575028      7.22469552    -14.25337361
  H     16.15264466      6.00303766    -17.41108123
  O     14.68624473     12.12749179    -14.00809959
  H     18.06501794      8.35144315    -15.31012239
  H     16.35112017      9.59673591    -13.92630348
  O     16.78569343      4.03129739    -14.45710471
  H     21.14197249      9.50021599    -13.74225498
  H     15.38537190     10.54545464    -13.19975382
  O     15.16131501      7.33218654    -12.05115795
  H     19.77180323      8.87483908    -14.08316772
  H     18.36830204     12.14390954    -12.60439108
  O     17.69035689      5.65287018    -16.63991979
  H     17.37545622      5.40543614    -13.35167751
  H     19.22034460     11.13475996    -13.42271776
  O     17.62637428     12.40485868    -10.86230047
  H     16.72301897      6.56995692    -12.57098440
  H     16.76329924      9.79622528    -11.48598245
  O     15.24174273      6.14233725    -17.72617815
  H     10.79221135      9.30474354    -12.83748767
  H     17.92554959      9.10236083    -10.72355495
  O     15.92183635      9.75285091    -13.07692032
  H     12.22850971      9.55354961    -12.32637803
  H     13.90058002      7.01512734    -13.28497904
  O     18.68750781     11.93598035    -13.49076720
  H     14.63424763     12.52222877    -12.24100087
  H     12.59369943      7.69605172    -13.72761286
  O     17.18960391      9.72326425    -10.61727231
  H     15.65481606     12.55706322    -11.09180819
  H     18.71860430      7.25375902    -11.76709462
  O     13.25201685      7.04597030    -14.00364994
  H     12.37421175     10.15175050    -14.59085490
  H     19.63468637      8.48115907    -11.96177923
  O     19.16121352      7.97040428    -11.29314232
  H     13.29559296      9.87653091    -15.79685549
  H     14.51359023      5.18291218    -16.21663607
  O     14.34069448      4.81235174    -15.34233380
  H     15.42392139     12.30006527    -14.60380073
  H     13.82838567      5.47933719    -14.86699635
          69
 Energy    -250.42298237557512     
  O     16.40468648     11.64554982    -11.80704286
  H     15.96171619     12.11454042    -11.08932669
  H     12.53297510     11.87620637    -11.17744230
  O     17.22625063      8.50709780     -6.75629793
  H     16.98243649     11.00133903    -11.38008576
  H     15.91721557      8.25000485    -13.81378725
  O     15.56262038      5.70858925    -10.67347523
  H     17.99907094      8.37250976     -7.31871684
  H     15.33538353      9.44999951    -14.57714493
  O     11.69880371      5.81474444    -10.02292393
  H     16.74612572      9.25392950     -7.13782261
  H     18.73759433      7.02075917     -8.84260529
  O     17.71504475      5.60676143     -8.88256141
  H     15.03579200      5.99051113     -9.91384292
  H     20.14268059      7.64735668     -8.67602273
  O     16.00491528      6.08910605     -6.61016712
  H     14.93593823      5.29380035    -11.28276209
  H     13.74533307      7.32941241     -8.42897157
  O     17.64500128      9.64283069    -10.21701217
  H     12.45376291      5.95665119     -9.42858401
  H     14.55603840      6.18801613     -7.75673099
  O     15.07005825     12.80236792     -9.55681610
  H     11.13194656      5.17971551     -9.58946722
  H     13.45007323     11.13255963    -13.38466470
  O     10.48006216      8.32151978    -10.78456269
  H     17.08345614      5.50996463     -9.60793168
  H     12.07365205     10.40313768    -13.16665535
  O     15.79579099     10.41672383     -8.25164715
  H     17.18497723      5.60531075     -8.07637046
  H     13.88354933      7.66994987    -14.09886859
  O     13.91402592      8.88229916    -11.31026384
  H     16.40541878      6.97743792     -6.59537443
  H     13.31627790      7.72744189    -12.67105853
  O     12.53841739     12.19290962    -10.26311851
  H     16.08962309      5.73493413     -5.72908677
  H     10.31683905      8.78742676    -14.29797912
  O     15.40339433      8.48838581    -14.59973816
  H     18.30848541      9.09890374     -9.77475701
  H     11.66187089      8.29967530    -13.70645517
  O     19.21562840      7.86229378     -8.72961261
  H     16.99746152      9.88407575     -9.53896581
  H     10.11994191     10.38433542     -8.42210960
  O     13.91724924      6.37550293     -8.45540088
  H     15.10982603     13.72030625     -9.30230536
  H     10.70346879      9.57612854     -9.60591846
  O     12.72576441     10.98723815    -12.76093837
  H     14.14055673     12.61216028     -9.77914026
  H     13.29383970      5.62250097    -12.84612500
  O     13.14004874      7.37028047    -13.55392164
  H     10.89773585      7.46943417    -10.60817200
  H     12.73267102      5.11460390    -11.51425917
  O     10.93300778      8.93364498    -13.58505455
  H     10.56886477      8.49526119    -11.72821797
  H     15.44170954     11.97008994    -14.78673479
  O     10.91385704     10.24742987     -8.93136728
  H     15.61364166     11.30691355     -8.57694165
  H     15.62292092     11.44513185    -13.34338803
  O     13.39279607      4.91941379    -12.19053860
  H     14.95927168      9.93340176     -8.31572258
  H     13.59142966      8.98383316     -9.61973217
  O     15.11549513     11.32306696    -14.16683091
  H     14.82005142      8.69561360    -11.59242199
  H     12.57040063      9.47174310     -8.56098813
  O     13.43074906      9.04987067     -8.66218105
  H     13.60310751      9.67318721    -11.76911530
  H     16.22240493      7.12947502    -11.60189007
  O     16.43105391      7.96157248    -12.05005350
  H     11.94025771     11.61427592     -9.77682379
  H     16.95334382      8.50137317    -11.44223286
          69
 Energy    -250.42295608963576     
  O     -3.82806404     -0.59040845      2.99905923
  H     -3.09301567     -0.91120033      2.45578577
  H     -3.48990649      3.19375921     -0.83591154
  O      0.47954821      3.08959229      2.62714681
  H     -3.49203684      0.15257403      3.51692480
  H     -5.59640679      2.61816419      1.05445365
  O     -1.75938620     -1.29298353      1.30515292
  H     -0.44022797      3.37603756      2.49589176
  H     -5.86806259      3.71510942      0.02015549
  O     -5.27939611      1.00717101     -2.41777187
  H      0.98928128      3.87822628      2.79541836
  H      0.91338224      1.70018993      1.40103174
  O     -2.92830874     -0.64407302     -2.62303352
  H     -0.94107575     -1.39840922      1.80597903
  H      0.38363167      0.83642956      0.22630913
  O     -4.72901678      1.01418163      0.93310147
  H     -1.59074427     -0.60467093      0.64612614
  H     -4.39649055      2.33541135      4.77047168
  O     -7.34389281      2.22297746      3.05826425
  H     -5.87448916      0.47411782     -1.87446695
  H     -5.32538273      2.82562703      5.90008090
  O     -2.81670825      1.71740679      4.17102527
  H     -4.47478238      0.48559843     -2.52675089
  H     -2.36649568      3.39189147      1.33012934
  O     -5.09952011      3.64118328     -1.77368634
  H     -3.09614875     -1.36172451     -1.98478458
  H     -2.91090090      4.20732745      2.53300502
  O     -6.64520404     -0.49804850     -0.45951076
  H     -2.68902446     -1.06169527     -3.44661111
  H     -4.85337418      4.25164676      3.75293765
  O     -5.88023395     -3.14097084      0.21273045
  H     -5.30693822      0.47383275      0.38057429
  H     -5.08329535      4.47130562      2.24901631
  O     -2.92507693      2.69644952     -0.23427706
  H     -4.46479074      0.47179241      1.68552389
  H     -5.36421003     -1.59191918      2.91866966
  O     -6.01648634      3.48584120      0.94376582
  H     -6.68972483      2.34572579      3.75653450
  H     -6.85754267     -1.40047224      2.54900516
  O      1.06917869      0.88586161      0.90577806
  H     -7.07675546      2.80861825      2.33703397
  H      0.14437011      1.68200301      3.90858016
  O     -5.25574479      2.75051283      4.95122594
  H     -2.65130676      2.36064054      3.46856778
  H      0.08258373      0.14781096      3.95288939
  O     -2.16167907      3.67177351      2.23283917
  H     -1.94476177      1.38394909      4.42950903
  H      1.45751785     -1.71688314      2.73961580
  O     -4.54230657      4.76219970      2.99639255
  H     -5.27862529      4.18087178     -2.53846795
  H      0.93326552     -0.45336289      2.01205307
  O     -6.16944971     -2.06672458      2.66818258
  H     -5.20415319      2.71355083     -2.05486799
  H     -7.85309630      0.72441990      2.35900727
  O     -0.20912428      0.94100661      4.41767849
  H     -6.40714135     -1.43046066     -0.37576827
  H     -9.05785668     -0.20017697      2.08450143
  O      0.69622263     -1.14996289      2.65219355
  H     -7.25650906     -0.31044288      0.26588323
  H     -4.15237724     -2.80249424     -0.38743224
  O     -8.12294702     -0.10302346      1.92293190
  H     -5.96613825     -2.84526939      1.13744741
  H     -2.76466762     -2.26333111      0.04854818
  O     -3.29359064     -2.51511493     -0.71969009
  H     -6.31530086     -3.98682975      0.15098870
  H     -1.71589584      1.42780556     -0.58680223
  O     -1.22545258      0.60493635     -0.72686218
  H     -3.50728141      2.02916170      0.16709411
  H     -1.66594708      0.16942904     -1.46654576
          69
 Energy    -250.42292763459733     
  O     16.29232692      9.70787150    -16.83751534
  H     15.36051896      9.87756449    -16.66397292
  H     17.95778601      6.88683965    -11.25275854
  O     15.82663367      5.09159539    -12.95703526
  H     16.77338730     10.54586501    -16.73544666
  H     19.69064763      9.53072000    -17.16968385
  O     17.08239258     13.94371959    -11.48955004
  H     16.01271818      5.25537741    -13.89258741
  H     20.94913604     10.42197317    -17.30757914
  O     19.79605027      8.92739056    -14.28003778
  H     16.62136976      5.34936462    -12.47598396
  H     16.43447781      8.54697878    -13.79803667
  O     16.52256881     10.60200065     -9.00245612
  H     17.28781988     14.86548481    -11.36241752
  H     16.77679050      8.95774088    -15.27642229
  O     15.24841366      8.62544707    -12.39652737
  H     17.70571636     13.43454898    -10.93996099
  H     12.86690055     10.18041510    -16.35474892
  O     17.27526419     12.01567843    -13.54435226
  H     20.07150395      9.39504765    -15.07764299
  H     13.63804709      9.00183298    -15.71258894
  O     19.70803236      6.14955529    -14.12087107
  H     18.84474706      8.74855855    -14.37373806
  H     17.13821218      9.11093711     -9.96928661
  O     13.51625529      6.45487196    -12.70502123
  H     16.11023517     10.64798817     -8.14381668
  H     16.56465663      8.51445992    -11.26987484
  O     18.82382651      5.65107232    -16.65493952
  H     15.93521088     11.07612928     -9.61834613
  H     14.54791985      6.80925481    -15.65277527
  O     16.28499046      6.03707655    -15.55230600
  H     14.55699785      7.95670182    -12.46651431
  H     13.50479501      6.98223990    -14.53838809
  O     18.19908104      6.02748955    -11.63343609
  H     14.89941537      9.47682563    -12.69431931
  H     18.96059920     11.63344546    -10.74781543
  O     20.22088053     10.21924077    -16.72708735
  H     17.21205038     12.79424648    -12.97711583
  H     18.02561142     11.72121718     -9.53354866
  O     17.09066112      8.46949643    -14.50109551
  H     17.85014072     11.39089228    -13.08092129
  H     19.44808819      9.87592380    -12.78646650
  O     13.65096759      9.96592831    -15.85596720
  H     19.20324748      6.03908381    -13.30774032
  H     18.46647538      9.65545868    -11.60539642
  O     17.34172170      8.49884144    -10.68703577
  H     19.93881335      7.08899254    -14.15269064
  H     14.71467372     11.75262408    -11.62780854
  O     13.74582007      7.29446445    -15.41883952
  H     14.30617288      5.88300871    -12.73621224
  H     15.61606707     12.81679282    -10.98436048
  O     18.64317543     12.24017822    -10.06317762
  H     12.85356592      5.98798483    -12.20457794
  H     17.70530931      8.65160974    -17.57448392
  O     18.98063260     10.32811853    -12.07122787
  H     19.34385116      4.95923187    -17.05462632
  H     18.62884629      7.40739771    -17.42506975
  O     15.04449931     12.06593587    -10.77722720
  H     19.17120225      5.77736518    -15.75360212
  H     14.25971929     10.81958540    -14.28658762
  O     18.59366683      8.31406602    -17.75117216
  H     16.60427905      6.85986788    -15.14948873
  H     15.53590119     11.40261991    -13.59623677
  O     14.63631651     11.07884077    -13.43675479
  H     17.02791057      5.71575342    -16.07501435
  H     18.75072994     11.44397964    -16.38953886
  O     17.87912992     11.84573213    -16.28924470
  H     18.62208160      5.53460309    -10.93298699
  H     17.74269101     11.99352506    -15.34342820
          69
 Energy    -250.42291439568635     
  O     13.85491326      6.55340880    -16.26754567
  H     13.21905517      7.19726398    -15.90565510
  H     10.42976960      5.42420786    -10.61175677
  O     11.28849316      9.15167450    -10.86542796
  H     13.65856815      6.46742263    -17.19635214
  H     17.16057973      5.30771872    -12.78877173
  O     15.32368388      6.24865158    -10.08680913
  H     11.76309951      9.25429478    -10.03108443
  H     17.13835832      6.43816889    -13.82855934
  O     14.42196315      2.32059085    -10.55615790
  H     10.89610505      8.27163414    -10.82757176
  H     14.52607112      8.71541009    -12.04268679
  O     12.75400361      9.17897485     -8.41029813
  H     15.57220785      5.56195227    -10.72113926
  H     14.75429607      7.29690098    -11.43710713
  O     12.20159711     10.45317392    -13.08491145
  H     16.10828972      6.74156214     -9.81437138
  H     11.92058536      7.59360376    -14.32834581
  O     15.68217242      4.32649131    -12.06337658
  H     14.72673261      1.52809591    -10.12253465
  H     12.21353341      9.07881148    -14.52263514
  O     12.35646287      2.67644963    -12.51546631
  H     13.82986814      2.77370070     -9.92928212
  H     17.72033447      8.20689252    -10.29962803
  O     14.81939169     10.54342061    -12.06046460
  H     12.54641805      9.70904929     -7.64552290
  H     18.08559773      8.02605276     -8.80563065
  O     12.59918621      3.58590907     -8.98634647
  H     13.63825465      9.45520589     -8.71252289
  H     17.36119858     10.44692981    -14.61916835
  O     10.39625070      3.56297756    -10.83632413
  H     11.84725371      9.97538952    -12.31273419
  H     16.53898578      9.17897772    -14.28704503
  O     10.70448082      6.34592124    -10.52457035
  H     11.60470421     11.18037028    -13.24502061
  H     12.82485973      7.30951002     -8.51836331
  O     17.71044629      5.99150474    -13.19010903
  H     15.05610427      4.44371931    -12.79177806
  H     13.76793004      6.31041875     -9.22726541
  O     14.42715872      7.77140297    -12.21176516
  H     15.36790923      3.56797057    -11.55435145
  H     15.94013716      9.32438370     -9.33257565
  O     12.13368124      8.25128307    -15.00799953
  H     12.77120508      3.22550497    -13.19233365
  H     15.11356268     10.25500497    -10.25891082
  O     17.35014805      8.04913661     -9.41137382
  H     13.06944536      2.41691080    -11.91842749
  H     18.16690468      7.51425496    -12.33511441
  O     16.87227878     10.01707297    -13.92211315
  H     13.96434344     10.65384293    -12.49838532
  H     17.88758503      9.02281089    -12.53671935
  O     12.90255702      6.38906304     -8.79721049
  H     15.50974487     10.51580596    -12.73599123
  H     12.87923640      7.01868168    -12.61398728
  O     15.16671359      9.89947007     -9.36135439
  H     12.70498590      4.51696547     -8.75197125
  H     11.54566994      6.39896209    -12.11343447
  O     18.23920144      8.38353337    -11.91034157
  H     11.77450210      3.53127765     -9.48484487
  H     15.32184949      7.56993659    -13.76515643
  O     12.10826950      6.49647743    -12.88933949
  H      9.64961860      2.97199127    -10.88653047
  H     15.25124894      7.23708056    -15.27936996
  O     15.83199490      7.58006992    -14.59079636
  H     11.03765025      3.25829802    -11.50258961
  H     13.84889291      5.05644738    -14.91754617
  O     13.70195165      4.63842423    -14.06414738
  H     11.44895874      6.34767107     -9.90379513
  H     13.07859778      5.22559638    -13.60470294
          69
 Energy    -250.42283882099747     
  O     13.02968559     11.35674622     -8.69350177
  H     13.01423486     11.34199303     -7.74045067
  H     16.15576655     13.28893576    -17.81843831
  O     11.43496280     11.20048874    -15.62442209
  H     13.70360635     12.01143078     -8.95447148
  H     13.17161873     13.26479390    -12.46229452
  O     13.88107463      9.13531274    -10.30656792
  H     11.86246901     11.50676373    -16.43279908
  H     13.05922434     14.58810405    -11.67994598
  O     18.20522086     13.02133703    -13.22355147
  H     11.21452162     11.99080351    -15.11099145
  H     12.30975474     13.96107519    -16.81472661
  O     11.17114570     11.91427918    -10.71211514
  H     13.64776341      9.83607314     -9.68643535
  H     11.57797415     14.36966928    -15.51925111
  O     11.65613360      9.41370241    -11.98531262
  H     13.10994106      9.02734087    -10.87857838
  H     14.06711239     11.39397459    -13.53660856
  O     13.35763708      9.85550929    -14.14548318
  H     19.15393926     13.07593040    -13.29746553
  H     15.10050771     12.08129619    -12.58955671
  O     14.52407457     15.54398694    -10.97735274
  H     17.89376707     12.49955795    -13.98637991
  H     16.72116069     11.78583476    -15.98530391
  O      9.66668355      9.74495254    -13.87775509
  H     11.67978142     11.70629803     -9.91830536
  H     16.89777151     10.68271328    -14.91406005
  O     14.76290488     14.22568626    -15.09322168
  H     11.63533306     12.64878343    -11.14071609
  H     12.72659857     12.14123249    -18.73230710
  O     10.69541777     13.46525984    -14.10852570
  H     10.92540459      9.32161365    -12.61363828
  H     13.80488926     12.39470829    -17.65784847
  O     15.56052877     12.79685219    -17.25705262
  H     11.51966035     10.26607318    -11.55055454
  H     15.47732238      9.01054817    -10.96325547
  O     12.53200421     13.89213085    -12.08668650
  H     12.84505563      9.59648102    -13.36781716
  H     16.85896493      8.31811671    -10.90514687
  O     12.25470746     14.65507910    -16.14737469
  H     12.72553572     10.24766033    -14.76274569
  H     15.13101321      9.34069199    -14.27879455
  O     14.37017361     12.24593864    -13.19863803
  H     15.19923347     15.44225077    -11.67206097
  H     16.24524192      9.08426400    -13.25195398
  O     17.27434895     11.51169997    -15.24945543
  H     14.58443016     16.44444163    -10.67015280
  H     16.57277357     10.84520273    -11.37464498
  O     12.84858647     12.32539405    -17.80365480
  H     10.16249415     10.12021687    -14.61678686
  H     17.18668710     12.17149515    -11.94849245
  O     16.37709458      9.01780948    -11.33763287
  H      9.25924787     10.49592022    -13.42855593
  H      8.12695860     12.27903888    -11.87500044
  O     16.09091130      9.26922021    -14.18539810
  H     14.64145591     13.50733928    -14.45307884
  H      9.63433697     12.00752799    -11.67504104
  O     16.47893670     11.80639174    -11.40209753
  H     13.88706846     14.50822988    -15.39421011
  H     17.03357269     14.53705835    -13.01018607
  O      8.93522175     12.08939295    -12.34504984
  H      9.94449792     13.09988640    -13.62673818
  H     15.81141314     15.03391832    -13.79552545
  O     16.32146846     15.18663927    -12.98781713
  H     11.33466676     13.73368301    -13.43153816
  H     14.76972764     13.97568294     -9.90765081
  O     14.90302759     13.10300254     -9.52156549
  H     15.35797846     13.37029821    -16.49570456
  H     15.52847831     12.64920162    -10.10460122
          69
 Energy    -250.42230723679734     
  O     14.08568434     14.00254304    -14.24815414
  H     14.43200902     13.84969053    -15.13686533
  H     14.45320815      9.19602216    -15.02451509
  O     16.72112396      7.31781816    -16.30935948
  H     14.73664884     14.56829814    -13.81613482
  H     16.15927200     10.09175241    -17.98522462
  O     15.25258589     10.92689080    -11.52062512
  H     15.96707558      7.30168295    -15.69666805
  H     16.90688757      8.88743227    -17.36163872
  O     18.50150864     15.00820935    -14.48839822
  H     16.82110181      6.42849248    -16.64131426
  H     14.29323097     10.58249421    -16.99231374
  O     14.78011387      7.54692860    -14.39213775
  H     15.90706801     11.63766196    -11.54516715
  H     13.62678207     10.75444401    -18.37985818
  O     13.53464712      9.47155012     -9.86718118
  H     14.53658912     11.18817272    -12.11547651
  H     19.65758625     12.14639725    -13.61831278
  O     14.56959025      7.05010956    -10.50270232
  H     19.03770411     14.36460110    -14.01287670
  H     20.56836132     12.80577376    -12.55639593
  O     16.61539822     11.58121299    -14.59478066
  H     18.45197621     14.69782554    -15.40466596
  H     17.91719075      7.99793275    -14.93888680
  O     13.16838050     11.59581921    -13.30649357
  H     13.94584810      7.33128138    -13.95192018
  H     17.77017639      8.40785537    -13.45600691
  O     16.30676422      8.44057415    -12.25723947
  H     15.37240875      7.84799343    -13.68646178
  H     13.23646192      7.05595121    -11.92337018
  O     19.34138968     10.89528864    -14.80028717
  H     12.74671603      9.59208868    -10.41164047
  H     12.22492010      8.08094609    -12.46819136
  O     14.39294108     10.12043677    -15.29510488
  H     14.19995327     10.05651321    -10.25766077
  H     18.57736567     13.07259416    -17.25136737
  O     17.03388065      9.70707212    -17.85442145
  H     14.63013327      6.45256219     -9.76253747
  H     17.23891838     13.80271764    -17.03431026
  O     14.43859695     10.89978931    -17.90127712
  H     14.19767452      7.88426587    -10.16230604
  H     16.72245211     13.81522453    -12.30510156
  O     19.70976734     12.86709774    -12.96636122
  H     16.62026720     12.05868658    -13.75675060
  H     17.98253572     12.90537451    -12.26197820
  O     18.37568891      8.42913065    -14.20893748
  H     17.52375955     11.29805836    -14.75165769
  H     15.95981868     12.68870000    -15.89988644
  O     12.67427777      7.25458019    -12.68331795
  H     13.37969087     12.50891298    -13.55183327
  H     15.10717834     12.55595022    -17.18156781
  O     18.19737552     13.92639644    -17.01679012
  H     13.46529902     11.04536811    -14.04496301
  H     12.05711575     10.51440242    -12.41392255
  O     17.02932724     12.92068392    -12.10580262
  H     15.87265140      7.85887490    -11.61987272
  H     10.65964632     10.10430730    -11.90331751
  O     15.50467739     13.20183603    -16.58656116
  H     16.01706194      9.33832584    -12.04037283
  H     17.04332365     15.36091972    -13.63699164
  O     11.57223904      9.82696671    -11.92734915
  H     19.43044042     10.98818349    -15.75734577
  H     16.24638825     16.32212907    -12.72230553
  O     16.25612684     15.43294488    -13.06538269
  H     19.11432896      9.97500320    -14.59264221
  H     18.43644675     10.70403689    -17.71109209
  O     19.21835202     11.26474022    -17.55824751
  H     15.21768145     10.55978860    -15.03132796
  H     19.80726373     11.12203264    -18.29447717
          69
 Energy    -250.42194969935457     
  O     10.27716208      9.84533537    -12.47284654
  H     11.05259242     10.39801902    -12.63356792
  H     16.28918314      8.19259298    -17.55011553
  O     14.16719241      7.35910297    -15.40047726
  H     10.04235696      9.45148380    -13.32258196
  H     19.41955285      6.94353927    -16.37953315
  O     16.64420735      9.29761047     -9.62032090
  H     13.96996699      6.80196152    -14.63481698
  H     17.91585742      7.30869541    -16.31672775
  O     18.30367398     10.24704879    -16.18650104
  H     13.47583466      8.03310745    -15.46006421
  H     15.63124653     12.22512270    -14.15148336
  O     12.38689933      9.47968272    -15.36455352
  H     16.41958960      8.35149485     -9.67779158
  H     14.93359382     13.59683445    -14.29403285
  O     15.78788462      6.72458015     -9.88912591
  H     16.84762493      9.47537492     -8.70588759
  H     16.08246780      9.70991284    -13.95459810
  O     13.74621934      5.91669205    -13.03724487
  H     17.66987267     10.21492679    -16.91481897
  H     15.18853529      8.47151069    -14.36722722
  O     14.46057585      9.72578481    -11.34435578
  H     18.59396462      9.33759675    -16.05055391
  H      9.68461349      7.62440852    -10.27652241
  O     16.24510346      9.98424037    -18.13346530
  H     12.52134034      9.97993381    -14.54696311
  H     10.34445210      8.48523429    -11.38165523
  O     16.42222137      5.22130780    -12.26296400
  H     11.49407236      9.11524756    -15.32834072
  H     17.08067019      7.88139098    -13.31571084
  O     17.08872817     11.26430660    -13.97552500
  H     16.07675566      6.14726485    -10.60487721
  H     18.29524160      7.31081831    -14.08748559
  O     16.37798386      7.34353161    -17.09832737
  H     14.83444570      6.83027320    -10.01433853
  H     11.82824631      5.97593836    -13.33928376
  O     18.77154667      7.41126422    -15.85984033
  H     14.61575263      5.53706795    -12.86422221
  H     10.70560839      6.58133803    -12.46858591
  O     14.77617983     12.65653809    -14.32609982
  H     13.53392474      6.43453901    -12.24649079
  H     17.80144318      9.75138941    -11.06992241
  O     15.65586213      8.90137834    -13.64167381
  H     14.88761491      9.39501915    -12.15251515
  H     18.40440303      8.99805980    -12.26122627
  O     10.41760896      7.65023333    -10.88519312
  H     15.15287395      9.76872846    -10.67474788
  H     13.54074506     10.52873288    -16.36552484
  O     17.87833019      7.33718655    -13.21614261
  H     15.51637618     10.39843924    -17.63735818
  H     14.43626071     11.71406781    -15.95812046
  O     10.90819367      6.26465567    -13.35834753
  H     16.18422855     10.30628415    -19.02862235
  H     12.22733136      7.44561687    -10.63697119
  O     18.29337544      9.88163238    -11.89006632
  H     17.01100938      5.91258947    -12.61070677
  H     13.53768835      8.24263758    -10.90566498
  O     14.26409352     11.09075872    -16.67302587
  H     16.90906771      4.40173804    -12.30033839
  H     13.30202261     10.65069341    -12.37121947
  O     13.18456216      7.36057042    -10.71655367
  H     17.56034999     10.92301405    -13.20169578
  H     13.35839721     11.72131177    -13.47774357
  O     12.77879187     11.06377333    -13.07377362
  H     17.59182832     11.01175520    -14.76537228
  H      9.16733226      8.01128965    -15.37579656
  O      9.92166874      8.29571049    -14.86755583
  H     15.57379145      7.23460006    -16.57283821
  H     10.25952325      7.51155092    -14.39800505
          69
 Energy    -250.42184762266919     
  O     -4.15489878     -0.45269260      2.84378546
  H     -3.57080984      0.13436982      3.33958779
  H     -6.82837990     -2.11296979      1.09904229
  O     -0.92367027      2.59567317      1.93042646
  H     -3.57546768     -1.09231838      2.40610578
  H     -3.14118504      1.53297990      0.06850380
  O     -2.26402866     -2.09009514      1.64361550
  H     -1.26880272      3.48214571      2.08786311
  H     -2.43886638      2.29241558     -1.07687393
  O     -4.41404316      0.67421411     -2.82460250
  H     -1.36054824      2.30503921      1.11418717
  H     -5.65125026      2.65858301      0.83921714
  O     -2.81045253     -1.69277243     -2.49834889
  H     -1.67109345     -1.99541881      2.39886876
  H     -6.44135840      3.56030853      1.81726120
  O     -4.74498747      1.13844321      0.67842984
  H     -1.83779034     -1.62315812      0.90928573
  H      0.28176622      1.10457897      1.74407211
  O     -6.66743593      3.32680396      3.63420332
  H     -5.22380259      0.42718219     -2.35877452
  H      0.22466312     -0.14207468      0.83023963
  O     -8.31028768      1.95455001     -0.14162074
  H     -3.83350638     -0.09450757     -2.77032237
  H     -3.49895191      3.86014466      3.36611020
  O     -2.13028814      1.10473943      3.97498495
  H     -3.30246324     -2.15394363     -1.79424217
  H     -3.38816785      2.52804137      4.13908933
  O     -3.35177870      3.14579870     -2.45084654
  H     -2.67212544     -2.32909054     -3.19517824
  H     -2.99934584      4.88654236      1.30201164
  O     -6.54291011     -0.01952312     -1.12430718
  H     -5.29682175      0.65024178      0.05400416
  H     -2.30873712      5.84583381      2.29611686
  O     -6.80043381     -2.47570609      0.19383084
  H     -4.62618925      0.59258512      1.46696397
  H     -7.33267686     -0.55450743      2.69339481
  O     -2.26977431      1.76118256     -0.29101378
  H     -7.03321614      3.84895298      4.34323605
  H     -5.89397275     -1.09560259      2.86183537
  O     -6.23367859      3.43544693      0.88208943
  H     -5.71093034      3.25812709      3.80568449
  H      0.00711869     -0.74214016      3.00030181
  O      0.60432553      0.19852048      1.65074869
  H     -9.01766837      2.46365868     -0.52954216
  H      0.17223849     -1.64843047      4.24487710
  O     -3.98533716      3.25995596      3.94503642
  H     -7.62622067      2.58843738      0.13383580
  H     -7.66544825      1.78301284      3.03914376
  O     -2.50477893      4.92570364      2.13950598
  H     -1.69421327      1.62091211      3.28037740
  H     -8.32872474      1.31926849      1.72760887
  O     -6.79178948     -1.35377156      2.61690187
  H     -1.58672802      0.31678922      4.09378302
  H     -4.98030491     -2.80666574     -0.17016649
  O     -0.47970269     -1.22157073      3.69565865
  H     -3.06680344      3.48479176     -3.29521574
  H     -3.52800406     -2.79357892      0.38469471
  O     -8.15711632      1.05574078      2.63840990
  H     -3.78227710      2.28916334     -2.62716155
  H     -1.48796256     -1.10737595     -1.25493535
  O     -4.05262340     -2.89177842     -0.41952417
  H     -7.26010603      0.57022118     -0.85809581
  H     -1.46929496      0.19347961     -0.44246490
  O     -1.08053438     -0.69408865     -0.48489596
  H     -6.71595343     -0.89099255     -0.74407324
  H     -4.85889948      4.44894553      0.15511676
  O     -3.99903206      4.77715835     -0.14168801
  H     -7.43952560     -3.18189112      0.15948708
  H     -3.80301816      4.30359991     -0.95797907
          69
 Energy    -250.41985671781003     
  O     13.12674813      8.69351365    -15.05958480
  H     12.83974760      9.43856117    -14.51861297
  H     11.89954889      7.82666673     -8.74115235
  O     11.11967120      9.36116937     -9.54067829
  H     14.04819951      8.51652697    -14.83049914
  H     12.16268861      5.46647059    -14.80075917
  O     16.12245485      4.50112297    -11.40610784
  H     10.83598705      9.10017260    -10.43221148
  H     11.85776560      4.46365611    -13.65288725
  O     14.75769768      6.09436665     -7.86318720
  H     10.37084707      9.78674415     -9.12926061
  H     12.74601176      6.19503743    -12.75810460
  O     18.49816802      7.84687838    -14.01937836
  H     17.01484146      4.18743585    -11.59791969
  H     12.36608186      6.17315753    -11.25751427
  O     13.29537471     10.64785967    -10.95037904
  H     16.22359176      5.33200339    -10.91844531
  H     12.56754310     10.79859268    -12.52924236
  O     15.31473264      5.20129600    -13.96659097
  H     13.87907404      6.48590049     -8.01781193
  H     11.91391912     11.64294501    -13.64938246
  O     10.29527394      4.14243889    -12.60180662
  H     14.87431889      6.05060518     -6.91783293
  H     19.41774666      3.34643641    -12.28228673
  O     18.79589804      6.84271937    -11.51087328
  H     18.62624246      7.55901710    -13.09733584
  H     18.58932575      4.33408947    -13.13987475
  O     14.03252845      3.90364799     -9.61757403
  H     19.22629386      8.42498078    -14.22976473
  H     14.05274086      7.82376040    -11.63798942
  O     11.57831349      4.94576793    -10.17839242
  H     12.65288735     10.30614021    -10.31790605
  H     15.21843742      8.39025136    -12.46934400
  O     12.26813452      6.99994114     -8.41124534
  H     13.94156898      9.93934922    -11.08704227
  H     15.94538932      6.66439815     -9.17154052
  O     12.57280982      4.89917284    -14.13299900
  H     14.39340525      4.96073191    -14.12400813
  H     15.89334330      7.50391283    -10.47897164
  O     12.68245430      6.74572529    -11.96932226
  H     15.52610559      4.93778142    -13.05883362
  H     18.26932226      6.00524697    -14.60227825
  O     12.09121353     10.74667489    -13.37735486
  H      9.63178042      3.47162631    -12.74049519
  H     17.08119096      5.02519080    -14.59304610
  O     18.78170028      4.05384219    -12.22678204
  H      9.92360177      4.97924464    -12.93509396
  H     11.38407238      7.97023351    -12.14737332
  O     14.82134012      8.41284473    -11.58880412
  H     18.92121627      5.89350712    -11.63213904
  H     11.00956517      9.38056606    -12.66955119
  O     16.43586406      6.87949159     -9.97457467
  H     18.07577852      6.93674369    -10.87300383
  H     15.53465907      6.98912674    -14.13460506
  O     18.04647843      5.06704819    -14.64391077
  H     14.31907144      4.51751733     -8.93007108
  H     16.65854882      8.04876392    -14.21846185
  O     10.66848918      8.62626979    -12.17242325
  H     14.72366703      3.93559848    -10.29186714
  H     11.99619980      7.50615272    -15.56478852
  O     15.70012228      7.94337439    -14.18139614
  H     12.38371694      4.42696791    -10.01361037
  H     11.25484435      6.83485062    -16.74566092
  O     11.37243429      6.79473770    -15.80058752
  H     11.09352200      4.54072007    -10.90586279
  H      9.69299674      7.29913223    -13.11024901
  O      9.49916963      6.52687625    -13.65698717
  H     11.85807776      6.28918213     -8.92379740
  H     10.01361066      6.65164585    -14.46500353
          69
 Energy    -250.41958986092203     
  O      2.37399349     -0.80523456      6.64549557
  H      3.19366228     -1.07832314      6.21073806
  H      3.89472040      2.70576761      3.48780210
  O     -1.01227966      1.50658205      6.66172096
  H      2.18194646      0.10097268      6.37286172
  H      1.94875084      1.88579928      2.70686624
  O      0.63425737     -4.77336582      2.65558650
  H     -1.16343623      0.58742021      6.94790772
  H      1.19474227      0.53782712      2.60114299
  O     -2.65569392     -3.06288178      5.74929090
  H     -1.48185223      2.06233115      7.27810091
  H      6.15166348      0.21174229      1.41568925
  O      1.56835384     -4.92337185      7.34943397
  H      0.08486550     -4.14556786      2.17353681
  H      5.04038284     -0.54710977      2.17113593
  O      4.57419029     -1.68289182      5.22750928
  H      0.26108701     -4.83069184      3.54656072
  H     -0.71347935      1.50157443      3.44280691
  O      3.56003149     -4.27830630      5.63819678
  H     -2.49535869     -2.46521361      4.99904582
  H     -1.46278306      1.47415999      4.79212031
  O      0.82784449     -2.32901974      8.37251923
  H     -3.59000875     -3.25569448      5.75446147
  H      4.19902639      3.61198472      5.93357694
  O     -1.42307156     -1.04411281      7.44472814
  H      2.32419725     -4.70595961      6.77346744
  H      3.20976010      2.47413046      5.60080051
  O      4.00909746     -2.00321226      2.45396288
  H      1.85250785     -5.63330229      7.91877189
  H      0.55841941     -2.90516462      4.94171425
  O      5.94193484      0.67416726      4.94428225
  H      5.15821443     -0.91180380      5.27088768
  H      1.25719565     -1.60453364      5.45096651
  O      3.65505572      2.44568722      2.58971827
  H      4.34911669     -1.79255203      4.29473423
  H      3.67616747     -5.51494728      2.39860924
  O      1.12541236      1.43631215      2.94896631
  H      4.01386440     -3.42586709      5.65674408
  H      2.37506425     -4.74062449      2.70911270
  O      5.51266819      0.29952701      2.11901179
  H      3.49728293     -4.51803852      4.70634739
  H     -0.88601478     -1.54464529      4.17166316
  O     -1.57339834      1.31923694      3.84546517
  H      1.46382253     -1.76498275      7.90831762
  H     -1.85597915     -0.43097363      3.72251617
  O      4.09611117      2.82194512      5.40867262
  H      1.06325392     -3.23279457      8.13712058
  H     -1.34820353     -2.22273067      2.20966479
  O      0.76402419     -1.98971634      4.71711233
  H     -0.67254329     -1.49729599      7.85864341
  H     -1.58658291     -2.64032837      0.74073985
  O      3.34407304     -4.71785541      2.80382652
  H     -1.91297148     -1.72298909      6.97223584
  H      0.25475593     -4.76593444      6.07536169
  O     -1.75443009     -1.39284282      3.76607127
  H      3.92018767     -2.96365948      2.49377726
  H     -1.11020954     -4.17114166      5.57961209
  O     -0.94454927     -2.66752878      1.44555253
  H      3.12201202     -1.66733210      2.25542946
  H      1.43166736      1.57046964      4.72817147
  O     -0.26544550     -4.53924793      5.29245905
  H      5.38300143      1.42536825      5.17909586
  H      0.73096946      1.71135976      6.10523094
  O      1.59582203      1.68771106      5.67601400
  H      5.93339646      0.63092953      3.97962473
  H      0.68964331     -1.66390235      1.68145893
  O      1.39366900     -1.24179715      2.18479564
  H      4.28486089      1.75869227      2.33952853
  H      1.26093545     -1.52859902      3.10472297
          69
 Energy    -250.41898195601851     
  O     -1.10616602     -1.95238642     -1.44763432
  H     -1.21024228     -1.82000964     -2.38601311
  H     -3.58686305     -6.60415915      0.16172501
  O     -3.05350508     -0.68841410      6.68989705
  H     -1.92831904     -2.36847716     -1.13028687
  H     -0.03352266     -5.51867475      0.20794097
  O      1.83702300     -0.18636571      1.90322186
  H     -2.23475382     -1.19389273      6.60461393
  H     -0.09245836     -6.43061363      1.44604493
  O     -2.30461888     -0.03038338      2.52303963
  H     -3.76269453     -1.34120460      6.74882125
  H     -0.27708039     -4.47621357      2.84711721
  O      1.34680256     -4.11720284      6.35592782
  H      1.07735641     -0.07197746      1.30260587
  H     -1.66438656     -3.82236425      2.64547436
  O     -5.00509686     -2.75967640      6.44471353
  H      2.33686278      0.62443440      1.86981275
  H     -3.39742824     -4.95449416      2.11788757
  O     -0.84702777     -2.33359983      6.05262233
  H     -1.55109836     -0.43027267      2.98047439
  H     -3.77196545     -3.49712689      2.53308257
  O     -0.67476779     -6.07833354      5.67599417
  H     -2.82094888      0.42717167      3.19886575
  H      3.67168081     -4.87675478      3.93679009
  O     -5.68456814     -1.18735814      4.11312353
  H      1.97349581     -4.16444160      7.07470364
  H      2.71740718     -3.90251487      3.21700941
  O     -0.40828287      0.07201924      0.42111297
  H      1.85956283     -4.19044448      5.53586851
  H     -4.91875690     -1.70528954      2.56010286
  O      0.52168639     -6.08089891      3.20660586
  H     -5.56604795     -3.23277006      7.05398084
  H     -3.54789555     -1.27053794      2.00092937
  O     -3.12847380     -5.84934836      0.52110755
  H     -4.30678740     -3.37778908      6.17110000
  H      2.00016450     -3.24094305      1.10228332
  O     -0.45321407     -6.31654718      0.55666344
  H     -0.09857854     -2.89290987      6.28902128
  H      2.45276541     -1.96563905      1.83197311
  O     -0.71570770     -3.65130181      2.59974002
  H     -0.56970869     -1.84791252      5.26073817
  H     -0.23193547     -2.10869313      3.26170796
  O     -3.38681070     -4.32706957      2.85181229
  H     -0.01843799     -5.48428487      6.05991160
  H      0.66121871     -0.83443794      3.20612715
  O      2.79071916     -4.51180372      3.97390133
  H     -1.51338895     -5.60110036      5.71086053
  H     -0.00180775     -3.60455865      0.92421592
  O     -4.26236720     -1.91149690      1.87872412
  H     -5.18128310     -0.38439381      4.29781389
  H      0.05345951     -3.11183075     -0.53940482
  O      2.58149949     -2.92143762      1.80554408
  H     -5.56106714     -1.75385510      4.88419764
  H     -4.02864030      1.82317640      5.01462998
  O     -0.07448174     -1.24335237      3.67529640
  H     -0.65993008     -0.57088107     -0.25293883
  H     -3.49865486      0.42925920      5.42718393
  O      0.49367446     -3.69009523      0.09436184
  H     -1.15983257      0.15258671      1.02294060
  H     -2.17963332     -3.56989198      5.65590700
  O     -3.82325025      0.95629713      4.67494979
  H      0.05989223     -6.23752894      4.04494684
  H     -3.07359297     -4.32359040      4.61009297
  O     -2.86873076     -4.24261043      5.55414076
  H      1.38187214     -5.70499084      3.42600880
  H     -3.28495703     -4.07814116     -0.21801816
  O     -3.31360632     -3.14617738     -0.46320728
  H     -2.17937569     -6.06582921      0.50958944
  H     -3.76785580     -2.68649598      0.25577831
          69
 Energy    -250.41870729859255     
  O     18.35320684      9.22548098    -14.35846644
  H     18.20026621      9.35987363    -13.41551078
  H     13.08118799      4.32347005    -10.32292770
  O     14.57982364      4.23863255    -15.93524501
  H     18.49208199      8.27875343    -14.48291018
  H     13.49970794      5.00465604    -13.11143214
  O     12.45605463      8.57962566    -13.09995180
  H     13.77728999      4.79383071    -15.96956078
  H     14.46757652      4.27171348    -14.07537517
  O     12.83582561      7.21832453     -8.98513697
  H     14.40951841      3.48094362    -16.48891335
  H     13.23985946      9.00076180    -11.50559855
  O     12.36720904      5.75096163    -15.81647899
  H     12.11502950      9.29973188    -13.64146817
  H     14.28780362     10.00020946    -10.94810354
  O     17.02836315     10.60956359    -16.26810908
  H     13.30596547      8.33446878    -13.50379235
  H     15.00895952      8.12943718    -15.14618030
  O     16.62560892      6.06743209    -16.73361002
  H     13.08660572      8.00464966     -9.48893941
  H     15.50707649      7.52618687    -13.79259316
  O     15.44995469     11.19748662    -11.66256572
  H     13.66200607      6.79139724     -8.73008210
  H     19.21866371      5.78919843    -14.36880184
  O     15.31847368      5.74531459     -8.71937233
  H     12.33583766      6.65753942    -16.15548593
  H     17.81649516      6.26052799    -13.91068501
  O     15.30308085      8.43058319    -16.94479335
  H     12.01319835      5.77133052    -14.92054496
  H     11.74556147     11.51468590    -15.10271137
  O     11.42178841      5.28527197    -10.26958855
  H     17.54788888     10.13147395    -15.59556870
  H     13.13551551     10.90481088    -14.81603517
  O     14.00896137      4.06330153    -10.38848450
  H     17.64806361     11.11277538    -16.78864940
  H     14.96155981      9.98720662    -14.21366724
  O     14.33533062      4.51539225    -13.15065771
  H     15.99096259      5.39814389    -16.44674722
  H     15.60158592     11.06334233    -15.09865132
  O     13.79232281      9.19564101    -10.73642670
  H     17.32254214      6.10220242    -16.06838235
  H     11.61288430      5.64320645    -12.09533426
  O     14.91489101      8.17516845    -14.18482853
  H     15.25141342     11.29918830    -12.60264224
  H     11.98615553      6.84949664    -12.99215509
  O     18.50643683      6.38502500    -14.58657330
  H     16.32860033     10.80175549    -11.62856870
  H     13.45280319      8.43655638    -16.96254313
  O     12.20022600     10.68794901    -14.96313069
  H     14.90655984      5.08664976     -9.30808713
  H     12.31421454      9.16419499    -16.22318022
  O     14.92027894     10.93300639    -14.42842148
  H     15.64199536      5.27131998     -7.95842941
  H     15.73454970      5.58131121    -12.90668526
  O     11.90626815      5.88445171    -12.98223932
  H     15.81765395      7.61112539    -17.01727921
  H     16.36350366      6.68589768    -11.99380206
  O     12.51590423      8.37015593    -16.72807248
  H     15.91903063      9.16807012    -16.86976105
  H     17.31941304      8.89379853    -11.13350904
  O     16.44959581      6.23030605    -12.84108711
  H     10.62878408      5.07029985     -9.78601519
  H     18.54718758      9.80642611    -10.93022194
  O     17.85833371      9.58410553    -11.55310301
  H     11.84948856      6.02148675     -9.79634405
  H     15.96839740      7.03959315     -9.83246412
  O     16.11933176      7.69847104    -10.52203667
  H     14.21057407      4.05246706    -11.33302720
  H     15.29508012      8.19893836    -10.61862677
          69
 Energy    -250.41775912185210     
  O     11.61051638     11.59983258    -15.72536580
  H     10.84409955     12.01040386    -15.33441759
  H     14.84347146      8.71810200    -19.05304139
  O     14.00112716     10.20803756    -19.75285966
  H     11.86031820     10.85820374    -15.14604839
  H     13.73530271      9.74609512    -12.95381659
  O     11.66877421      7.33456101    -16.96278202
  H     13.64795480     10.32764683    -20.63009222
  H     15.02038077     10.54834658    -12.63486395
  O     13.49307935      7.96945482    -10.44020020
  H     13.23690490     10.12800792    -19.15098049
  H     17.80361326      9.38305165    -14.82954229
  O     14.39990882     12.01923955    -15.96634896
  H     12.42726270      6.76453655    -17.13455836
  H     17.04594731      8.12699393    -14.27445195
  O     18.29770071     11.44362913    -17.64210274
  H     11.42431343      7.16699785    -16.04484098
  H     14.90998856      5.40444353    -11.09265699
  O     15.77287356     11.98002632    -18.38198459
  H     13.81007790      8.71686691    -10.96482050
  H     16.07160321      5.44963867    -10.06957429
  O     18.41866198     11.16580664    -14.86918123
  H     14.24211531      7.36669342    -10.35876520
  H     14.22464298      5.06932987    -17.83696786
  O     13.61717198      4.63208613    -11.99124941
  H     13.43961972     12.09086513    -15.91377702
  H     14.55293765      6.57787343    -17.77114070
  O     11.98665579      9.89007481    -18.01610432
  H     14.59372510     11.06891794    -16.00728105
  H     15.44387067      8.33358024    -12.76709834
  O     14.83554161      9.26333876    -15.97478725
  H     17.39172935     11.65959681    -17.93034947
  H     15.96999200      6.98697879    -12.20383770
  O     15.21396179      8.02747232    -18.49054511
  H     18.88733643     11.88984636    -18.24428963
  H     10.76737075      6.35728287    -10.69752836
  O     14.47775827      9.80452627    -12.33611560
  H     15.27032123     12.17638923    -17.57897398
  H     12.12561295      7.02974183    -11.00598965
  O     17.40434140      8.53837550    -15.07339498
  H     15.20272155     11.42022601    -18.92187375
  H     14.26724278      5.84911920    -15.42308822
  O     15.57368897      5.98615218    -10.67970968
  H     19.26367572     11.49059397    -14.56666474
  H     14.80664977      6.47910454    -14.09239145
  O     14.13276261      5.84518333    -17.28923295
  H     18.39056383     11.31276244    -15.82843223
  H     17.76635689      8.40054341    -16.89346267
  O     15.93120395      7.52941476    -13.00059310
  H     12.79552762      5.08197456    -11.75799889
  H     18.04844931      9.52539218    -17.89565140
  O     11.44949974      6.42433534    -11.36007800
  H     13.79603318      4.87265823    -12.91099398
  H     13.34676366      9.30990239    -14.95518167
  O     14.14971776      5.87675415    -14.46578407
  H     11.81189338      9.00296594    -17.66835667
  H     12.15116559      8.62140500    -14.23484057
  O     17.80467129      8.59459399    -17.84117512
  H     11.76261742     10.51302698    -17.31740668
  H     12.47073979      6.52019481    -14.25993844
  O     12.60367914      9.46663845    -14.35132175
  H     15.70438138      9.05425550    -15.60974921
  H     11.36958536      6.74646455    -13.20211367
  O     11.59608117      6.91690957    -14.12435507
  H     14.81850828      8.88573106    -16.86165554
  H     15.37163790     12.05519359    -14.33966010
  O     15.91612569     11.80135849    -13.58247983
  H     16.16197457      8.19970582    -18.37697392
  H     16.79946628     11.66064339    -13.94041868
          69
 Energy    -250.41709293741195     
  O     11.98580326     10.22588295    -15.06267904
  H     12.37774416      9.51569622    -15.58943869
  H     16.72548649     11.10327265    -16.12731033
  O     16.17321008      6.66049550    -12.58541728
  H     12.54428815     11.00061161    -15.19690677
  H     15.41332624      7.96060504    -13.66447291
  O     17.49791375     11.09862917    -12.24915113
  H     15.54425621      6.79675361    -11.86440006
  H     14.52259061      8.50704129    -14.83647704
  O     13.13055829      5.56981354    -15.22388914
  H     16.94920004      7.20979331    -12.40550959
  H     10.28690343      9.38419427    -12.56367118
  O     14.96961000     10.27191778     -8.73016932
  H     16.56784534     11.21307522    -12.49608647
  H     11.47168167      9.63093915    -13.52743333
  O     14.26346090      7.29703830    -10.70459422
  H     17.56419784     11.31480779    -11.31152107
  H     18.32967305      8.42064261    -10.34442964
  O     14.89520795     11.15285612    -13.08451850
  H     12.53421055      4.84533528    -15.39352824
  H     17.44177316      8.18053682     -9.09115162
  O     15.71744633      7.69464307     -8.34063051
  H     12.89546197      5.92462664    -14.34670505
  H     13.05877486      6.70625085    -12.05651595
  O     17.13853113      7.58822314    -15.93117561
  H     14.36393537     10.28773611     -9.48362900
  H     11.99082056      7.50738429    -12.81829407
  O     15.98654408      5.30486050    -15.00556454
  H     15.75548736     10.76803646     -8.98959164
  H     18.75308352     10.12445570    -15.01196202
  O     19.52471611      8.32237338    -14.79727031
  H     14.00667654      8.22074054    -10.84162330
  H     18.01293155     11.09449396    -14.08387888
  O     15.91991125     11.19482500    -16.65852766
  H     14.71312482      7.26669958     -9.85137650
  H     18.85531257      8.31215254    -13.01647683
  O     15.24058783      8.72563985    -14.22900717
  H     14.51864135     11.72916667    -13.75857284
  H     17.98532124      9.33498345    -12.25355977
  O     11.22284703      9.23764388    -12.67123570
  H     15.04205988     10.29342667    -13.51604499
  H     18.11253165     11.82319794     -8.85858384
  O     18.20753465      8.66795635     -9.41822948
  H     15.60617622      7.41004341     -7.43748147
  H     17.86538570     10.38260703     -9.36925986
  O     12.49573241      6.68505505    -12.83985516
  H     15.42420205      8.62398440     -8.38258041
  H     16.26266934      8.18305332    -17.37729862
  O     18.15259333     10.87715461    -15.01459723
  H     16.82568724      6.69268677    -15.72688816
  H     15.91303959      8.40693502    -18.86755665
  O     18.29737296      8.41781317    -12.23716319
  H     16.62401452      8.17950408    -15.36068574
  H     12.59045880      9.76199554    -11.50248989
  O     17.56185070     11.30627655     -9.44072945
  H     16.10258646      5.60470325    -14.09093833
  H     13.95252505     10.44721711    -11.73267825
  O     15.62294802      8.59888925    -17.97939295
  H     15.03265162      5.27726482    -15.14470018
  H     13.74197095     13.25024595    -15.71138086
  O     13.43585827      9.95460211    -11.07854790
  H     18.75381467      7.97838661    -15.27982604
  H     14.59077339     11.96823706    -15.88692519
  O     13.85389345     12.36241936    -15.38383862
  H     20.29868026      7.94749995    -15.20934870
  H     13.27783699      7.20930069    -16.07559748
  O     13.39177952      8.14734560    -16.27903252
  H     15.83257655     10.39282961    -17.18174030
  H     14.05397093      8.23513134    -16.97567525
          69
 Energy    -250.41639539191880     
  O     -9.86785107      1.02165984      3.51999623
  H     -9.52894800      0.13043965      3.34678486
  H     -8.99985232      2.95391740      1.27397053
  O     -6.45726271      0.44501485      6.54589916
  H    -10.40742304      1.00237486      4.31990440
  H     -5.86635316      0.27666401      2.04871479
  O     -7.69773690     -1.98308119      5.82772171
  H     -6.69409486     -0.46699161      6.33523800
  H     -5.83768899     -0.79344988      0.93548567
  O     -7.88136571      4.35552293      5.80397881
  H     -6.81967985      0.97824453      5.82030930
  H    -12.07530360      1.67366563      5.55578284
  O    -13.29764199      2.86849414      4.84199211
  H     -8.49571067     -1.62919181      6.26176347
  H    -10.77611967      1.88405087      6.37452843
  O     -7.44744393      1.94930762      4.46947808
  H     -7.63477459     -2.90067808      6.08012890
  H    -11.37212742      5.91846477      5.06780124
  O     -8.18861076      1.11381937      8.59453545
  H     -6.94584562      4.57552380      5.89685014
  H    -11.52992384      7.30757690      4.40447762
  O     -9.77732070      3.09135256      7.32676061
  H     -8.20900257      4.78063270      4.99723320
  H    -11.39974309      3.86023454      2.30323809
  O    -11.82169280      4.81319993      6.35036178
  H    -12.92940520      3.28243843      4.04064705
  H    -11.91072689      5.04883424      3.13979214
  O     -5.95271316      5.41902763      3.03394398
  H    -14.23138098      2.75458775      4.68737965
  H     -8.15287453     -1.58858005      3.99789557
  O     -5.13168865      1.61103539      3.01957690
  H     -8.28268048      1.62000383      4.11341413
  H     -7.78319657     -1.05508047      2.58598280
  O     -9.69197279      3.21251515      1.89768006
  H     -7.62031797      2.79680336      4.89665433
  H     -9.03946336      4.60602785      2.84841191
  O     -6.42535811     -0.30104146      1.50411026
  H     -7.76939338      1.04430808      9.44856540
  H     -9.52945174      5.85146887      3.64124329
  O    -11.29020822      1.22156449      5.88973002
  H     -7.50650653      0.91848544      7.93008835
  H     -4.54108806      4.11755030      0.53620232
  O    -11.16220474      6.43826679      4.27117077
  H     -9.29110165      2.48332164      7.89586904
  H     -5.42336214      4.36582710      1.78277753
  O    -12.17983458      4.20454336      2.75862438
  H     -9.10849969      3.58442133      6.82729284
  H     -9.34084860     -0.22192454      7.76849932
  O     -8.52330090     -1.30838664      3.15260048
  H    -11.16673935      4.29814151      6.83763418
  H    -10.42400890     -0.24642937      6.67848343
  O     -8.74258891      5.34931362      3.39479303
  H    -12.42488746      4.17091244      5.95521562
  H     -4.86293190      1.49374619      6.13240463
  O     -5.13821624      3.68861365      1.14260192
  H     -6.91273021      5.51117348      3.10448451
  H     -4.36496679      1.88769513      4.73340076
  O     -9.77140254     -0.80000668      7.12733344
  H     -5.62207071      5.24928634      3.92345870
  H     -6.73186208      2.77269831      0.60229186
  O     -4.30461012      2.12934737      5.66814312
  H     -5.96615371      1.78513878      3.48669228
  H     -7.29082986      1.34581625      0.71549986
  O     -7.52979748      2.24599698      0.46969014
  H     -5.01750215      2.32077404      2.37379642
  H     -4.49132463      5.26034132      6.21563246
  O     -5.11522897      4.73791367      5.71831939
  H     -9.84640163      2.43030165      2.44907795
  H     -4.78427139      3.82302514      5.72811956
          69
 Energy    -250.41599340060566     
  O     -6.05696399      1.11113778     -0.39026326
  H     -6.37067508      1.08418448      0.52303927
  H      1.14389339      2.93056978      3.74650129
  O     -4.20566006      1.45645637     -4.44240690
  H     -5.46172180      1.87331388     -0.44406474
  H     -0.56128167      4.11218835      2.17327382
  O     -6.54625903      1.12378449      2.35978951
  H     -3.76912094      0.61873320     -4.63920618
  H     -0.78784376      4.31346695      0.66739020
  O     -0.46457221     -1.76817406      1.96509257
  H     -5.04436720      1.22260984     -4.02514390
  H     -4.16763866      3.91599057      0.18544327
  O     -1.95187149     -1.03296332     -0.26788685
  H     -7.31317659      1.18671165      2.92306405
  H     -3.57718990      2.49682315      0.10440262
  O     -2.73939044     -1.01772359     -4.52300218
  H     -5.91695807      1.79976671      2.66978108
  H      0.41887219      0.64208476     -1.85861214
  O     -4.66347953     -1.36787189     -0.33962178
  H     -0.08011820     -2.58618834      2.26678195
  H      1.94381930      0.88738524     -1.91117398
  O     -1.19824579      0.19362374     -2.55406429
  H     -1.16323402     -1.53195065      2.60482387
  H      0.20863196      2.59578544     -1.00203044
  O     -2.58103416      2.64089670     -2.58108516
  H     -2.89119542     -1.26570638     -0.22369851
  H     -1.13978459      3.16361896     -1.52401924
  O      0.94675668      0.68829263      1.51512652
  H     -1.47827106     -1.43538287      0.47021904
  H     -5.62541694     -1.13397086     -3.13466177
  O     -2.43631661     -1.01538253      3.59065194
  H     -2.22511819     -1.45078715     -5.19986886
  H     -4.25695076     -1.70010619     -3.55426677
  O      0.38612174      2.78404963      3.18659429
  H     -2.10851054     -0.66103137     -3.87732333
  H     -2.30595937      1.67020061      2.54768556
  O     -1.05250648      4.64474252      1.53662444
  H     -5.09907058     -0.50542808     -0.32880391
  H     -1.36111231      2.16007513      3.64991707
  O     -4.18011709      3.11185691     -0.34608506
  H     -4.79521653     -1.72177197     -1.23116974
  H     -4.89532396     -1.50927866      1.53705241
  O      1.17270610      0.99761518     -1.36010650
  H     -1.68623268      1.03027036     -2.54886142
  H     -5.51671962     -0.50909755      2.52431679
  O     -0.50499401      3.21030965     -0.79499630
  H     -1.47133731     -0.31236716     -1.77082736
  H     -2.14745511      0.63415857      0.43690914
  O     -5.03204140     -1.88601828     -3.01085592
  H     -3.12924710      2.35439831     -3.32640285
  H     -1.55202843      2.07181211      0.35680299
  O     -2.23618590      1.78226542      3.50980988
  H     -3.19525518      2.87932647     -1.87281791
  H     -2.77074019      4.97754802      1.60037172
  O     -4.95152285     -1.28862879      2.47541419
  H      1.09197727      0.73047752      0.56364518
  H     -3.87892817      6.05226809      1.66817132
  O     -2.25392058      1.53965643      0.75286094
  H      0.51354989     -0.15707302      1.68842822
  H     -6.45877744      0.76597532     -2.10581030
  O     -3.73448545      5.11550801      1.56628047
  H     -3.33490134     -1.18167182      3.26960658
  H     -7.46630651      0.69307868     -3.27295142
  O     -6.54851102      0.55699661     -3.05012052
  H     -2.37746210     -0.06429582      3.74577010
  H     -3.90813780      2.56474335      3.48129878
  O     -4.73998826      2.96405584      3.19110321
  H      0.61760802      2.04721886      2.59381270
  H     -4.48792768      3.75195499      2.69647665
          69
 Energy    -250.41557997649645     
  O     11.46760050     11.84352499     -9.81463439
  H     12.37989600     11.99474882     -9.50930030
  H     14.64052647     11.49893800     -8.98302721
  O     14.88885146     10.53148296    -12.93639486
  H     10.90952335     11.89137541     -9.04277782
  H     10.69241265     12.83163016    -15.76743239
  O     16.58839514     12.60780724    -15.43226535
  H     14.77651666      9.90300124    -12.21205614
  H     11.47195450     11.75298049    -16.53117667
  O     15.57607469      7.08703006    -12.87981708
  H     15.83283841     10.63292130    -13.11151604
  H     14.06530256     13.57150093    -14.27192374
  O     11.24349717     12.75541392    -12.44793419
  H     16.46034958     12.01590802    -16.18513731
  H     13.04295119     14.19350438    -15.21877095
  O     11.15814348     14.40345670    -14.69078492
  H     15.81201763     13.17713132    -15.41812343
  H     16.43539319     10.77336194    -18.40213712
  O     13.39451763     11.55278592    -16.79527066
  H     15.08305055      6.91238169    -13.69048286
  H     16.16852053      9.91895343    -17.14209057
  O     15.90944760     10.12389229     -9.20317822
  H     16.41694272      7.46600804    -13.16452791
  H     14.97700241     13.83365876    -11.30284282
  O     14.00716079     13.06632792    -12.54179883
  H     11.20500655     12.55194467    -11.50457698
  H     15.62526425     15.07013435    -10.63318103
  O     13.32400243      9.51331263    -14.92277111
  H     11.12434452     11.91493220    -12.91703924
  H     17.05405480      8.36893773    -15.58245965
  O     17.94066194      8.36493408    -13.91732335
  H     10.57563715     15.15338176    -14.59676134
  H     15.72530985      7.83200572    -16.13955849
  O     14.02303290     12.24014541     -9.01548616
  H     11.11838182     13.91516147    -13.85175202
  H     16.95661569     11.31179109    -10.28785153
  O     10.62194144     11.93220017    -16.10847196
  H     14.22660944     11.28948883    -17.20893277
  H     16.85591337     12.78010240    -10.72920676
  O     13.92540633     13.80482918    -15.20193919
  H     13.59355875     12.33754460    -16.26393345
  H     11.74923627      9.95931798    -14.14055921
  O     15.99231592     10.78172192    -17.55770754
  H     16.27128413      9.58143592     -8.50709525
  H     10.59203482     10.83585175    -14.61212801
  O     15.51075737     14.12794363    -10.54354066
  H     15.39852070      9.53151369     -9.78220486
  H     13.79297597      7.86328287    -15.23773993
  O     16.47287750      8.40386560    -16.35212534
  H     14.33622370     12.15943528    -12.64020235
  H     13.51573121      6.42224201    -15.73039999
  O     17.35836566     11.96883324    -10.86987675
  H     13.04719268     13.00666509    -12.45684357
  H     11.66231692     10.14746986    -10.71244537
  O     10.92886379     10.37052337    -13.83258660
  H     13.31342063     10.17298991    -15.62918507
  H     11.37297223      9.56668118    -12.10432866
  O     14.19825664      6.98955803    -15.38235181
  H     13.91892518      9.84860225    -14.23519187
  H     17.62324829     11.42568145    -12.54547277
  O     11.81274786      9.37313213    -11.26847571
  H     17.89310299      9.31799746    -13.72682708
  H     17.34198173     11.66245270    -14.08935917
  O     17.58330018     11.00633184    -13.41870097
  H     18.84569689      8.10137026    -13.77160958
  H     13.49300278      8.75790875    -11.04476383
  O     14.45016220      8.64837935    -10.94180820
  H     14.51572307     12.97167682     -9.40669996
  H     14.77759436      7.97885770    -11.56182106
          69
 Energy    -250.41535443253372     
  O     10.55375405      3.06267127    -21.25923598
  H     10.65994018      2.43060083    -20.52775733
  H      8.18609285     -0.09184636    -21.49234498
  O     12.82708163      4.62139623    -20.94737570
  H     11.31604079      3.65279761    -21.22690261
  H      9.51588416     -1.18130151    -17.47537724
  O     11.60099149      5.73591149    -18.73067957
  H     13.44382717      4.05124119    -20.46260915
  H     10.47311906     -1.74754463    -18.53392961
  O     10.86364637      1.26895484    -19.27435635
  H     13.17284275      4.70715276    -21.84448025
  H     14.32643317      2.10282857    -19.48987560
  O     12.71214801     -0.29735385    -16.78841107
  H     11.79252817      6.66849934    -18.65750369
  H     14.35449870      3.41513994    -18.67507083
  O     13.51458211      0.50933736    -19.39883820
  H     12.02087720      5.43185687    -19.55151582
  H     13.00525767      3.38308934    -16.66175112
  O     13.04153459      2.06767674    -24.44829400
  H     10.64753817      0.35801093    -19.51262316
  H     12.73555927      4.60191499    -17.57780116
  O      7.97429511      0.03744983    -17.44069495
  H     10.49170370      1.45835597    -18.40501982
  H     10.71437947      1.76926299    -22.50495991
  O     10.63744159     -1.37000124    -20.35461525
  H     11.91972592     -0.81720380    -16.98839923
  H     10.04825434      0.44031591    -22.92946506
  O      7.52422744      0.78697124    -20.16366870
  H     13.18129677     -0.18236071    -17.62315226
  H     15.26283905      3.40259520    -22.56549226
  O     13.91379855      4.45963479    -23.50887777
  H     13.45284699      0.05608956    -20.24831387
  H     15.50843996      2.85027909    -21.14720724
  O      8.63970037     -0.58988917    -22.19696785
  H     12.62896563      0.87557089    -19.24819047
  H      9.50618265      2.91110502    -17.14028910
  O     10.37161955     -1.61093286    -17.58188363
  H     13.73035291      1.43418710    -24.21120794
  H     10.51670534      2.06883298    -16.28208388
  O     14.60025993      3.03079065    -19.52916200
  H     12.21093539      1.68945901    -24.13187515
  H     12.44079057      1.18085856    -15.96262137
  O     13.42918097      4.01787162    -17.25209243
  H      8.54016027      0.76188982    -17.12024637
  H     12.47276682      2.00182296    -14.65078292
  O     10.82741336      0.99115547    -23.07063738
  H      7.30089089     -0.09708223    -16.77818351
  H     12.18184245     -0.02930293    -22.31025808
  O     15.73340189      2.71648949    -22.07800885
  H      9.92723678     -1.24913158    -20.99699275
  H     13.67511767     -0.40421915    -22.39807852
  O      9.71523731      2.02038700    -16.81718878
  H     11.46769024     -1.30750801    -20.84478102
  H      7.50831362      4.13485002    -21.08865754
  O     12.20907699      2.04153513    -15.56620832
  H      7.60177642      1.74809157    -20.18418152
  H      8.88873691      3.47810586    -20.84654008
  O     12.86468976     -0.58335005    -21.90494685
  H      7.63084561      0.51496921    -19.24379991
  H     15.38087215      1.17919261    -22.83355933
  O      8.00116466      3.60363382    -20.46795701
  H     13.55206832      3.64091029    -23.89365306
  H     15.86197586     -0.00888440    -23.69936490
  O     15.08337860      0.38901522    -23.31945347
  H     14.12409789      5.03653594    -24.23806083
  H      9.98300243      4.90399716    -18.25821991
  O      9.19812222      4.40712294    -17.99440250
  H      7.97556272     -1.11401877    -22.63637540
  H      8.70326588      4.22402530    -18.80218013
          69
 Energy    -250.41497558723535     
  O     14.48243422      1.93444217     -7.74613613
  H     13.54796775      1.80428608     -7.97872248
  H      7.81049328      1.80713626    -11.44169497
  O     11.87014342      1.74038997     -8.57491113
  H     14.66464063      1.34856120     -7.01550030
  H      9.02684052      5.28069539    -11.17703142
  O     10.14847492      4.03900376    -14.26180078
  H     11.49704504      2.60812236     -8.36435082
  H      8.56960429      6.33340838    -12.18978620
  O     16.39535992      4.64356441    -10.50791404
  H     11.12626389      1.17448715     -8.82745768
  H      9.75458703      3.25561155    -11.41224064
  O     10.74122219      4.23395210     -8.30823892
  H     11.03632266      3.96703119    -13.88252296
  H     11.03226737      4.09617396    -11.50957166
  O      9.75744689      0.35260856     -9.66952460
  H      9.90466052      4.96649836    -14.16087073
  H     14.95106368      3.78591798     -7.84312820
  O     12.92668684      1.53428672    -11.19439857
  H     16.06023510      4.69958789     -9.59373351
  H     14.40516149      5.19828071     -8.17200929
  O     12.45123822      3.86174894    -12.66093789
  H     17.29437283      4.96049424    -10.49249719
  H     11.70576397      0.53154034    -11.98271607
  O     11.78377007      7.46021544    -12.08842324
  H     10.51536500      4.13730348     -9.24833851
  H     11.22939486     -0.68177699    -12.81403028
  O      6.95570777      4.26883699     -9.52518915
  H      9.94309690      4.53196633     -7.85690701
  H     12.11474380      5.38859730     -8.53951846
  O      9.65302370      6.82322915    -13.66549781
  H      8.90104015      0.76705946     -9.82488655
  H     12.43329811      6.86656035     -8.88326638
  O      7.32640378      1.65307480    -10.61181115
  H     10.07944957      0.08542910    -10.53914495
  H     15.88152276      2.78582992    -10.57687792
  O      8.33539408      5.93990777    -11.34164713
  H     12.52645074      1.66948528    -10.32491816
  H     15.30898857      1.85264935     -9.49380697
  O     10.24511923      3.95691165    -10.96670682
  H     13.88519547      1.58026660    -11.06389525
  H      9.65224985      1.37350248    -12.69999614
  O     15.21870536      4.68564266     -8.06752896
  H     12.67618334      3.02411925    -12.23382459
  H      9.30290111      2.75352428    -13.34978589
  O     10.91720963      0.06071278    -12.30348594
  H     13.04366955      4.53158309    -12.29370797
  H     13.54808487      5.81065974    -10.44918461
  O     12.83302730      5.99555932     -8.76618135
  H     12.60534869      6.96119815    -12.00676331
  H     14.84349984      5.45001016    -11.20833094
  O     15.51444656      1.90466509    -10.43637389
  H     11.63720740      7.85442641    -11.21996629
  H      7.74179844      4.82191240     -8.08049175
  O      9.01228856      2.09722486    -12.69757918
  H      7.22254689      4.85976229    -10.24210011
  H      7.75010935      5.14714092     -6.56663109
  O     13.93975934      5.76267344    -11.33385867
  H      7.04904164      3.36882520     -9.85936379
  H     11.51158887      9.26401283     -9.08203544
  O      8.28174718      5.18895700     -7.35640649
  H      9.55574301      7.50382645    -14.32621065
  H     10.54371825      8.06347744     -9.22484008
  O     11.45625740      8.36355331     -9.38978322
  H     10.43575363      7.06056367    -13.13618324
  H      8.72826349      6.77735103     -8.35221664
  O      8.96726650      7.41141986     -9.03746361
  H      6.55839553      1.13261881    -10.83700481
  H      8.67854889      7.01641281     -9.87193263
          69
 Energy    -250.41496995603197     
  O     13.48063265     13.67728527     -9.04728440
  H     13.39573547     12.70726003     -9.04887302
  H     12.79670065     13.99351650    -15.04917563
  O     14.58057183     11.80790909    -16.98490507
  H     13.03284970     13.98854349     -8.26444167
  H     12.24331335     14.40256645    -12.74594654
  O     16.52009217      9.28556815    -11.06308104
  H     14.14786704     12.59811143    -16.62853072
  H     10.84285965     14.23329632    -13.38070172
  O     15.66904214     16.53765449    -11.96345899
  H     14.28435087     11.07013547    -16.43870904
  H     18.91993603     13.58978564    -13.81657324
  O     14.07759310      9.87225665    -14.96946486
  H     17.04840554      9.96255559    -11.51252777
  H     20.25734635     13.60023906    -13.03511682
  O     16.45076374      7.56608615    -13.20625621
  H     16.53677539      8.52441791    -11.66040371
  H     14.46203288     10.77974755     -8.70595828
  O     15.60637318     12.64468359    -12.32541496
  H     16.45210213     16.05649774    -11.64105911
  H     13.39286000     10.37422127     -9.72585758
  O     13.68305144      9.39850345    -11.36341574
  H     15.85207630     17.46642990    -11.85014612
  H     16.29160966     11.78520127    -17.09111856
  O     16.88281400      9.87652368    -14.93306340
  H     13.71705828     10.52160443    -14.34795459
  H     17.56423909     11.59907794    -17.95148500
  O     18.04171326     13.77390404    -15.26975876
  H     13.82893273      9.00646751    -14.62696969
  H     16.90825643     10.15834975     -7.99456782
  O     13.19092482     11.57184925    -12.96212119
  H     15.51633160      7.39362616    -13.37458878
  H     16.46277873     10.02897066     -9.46910509
  O     13.48849097     14.01154721    -15.71887209
  H     16.73098566      8.19728444    -13.88106795
  H     17.35673054     14.42035133    -10.47915196
  O     11.73804930     13.90786640    -13.41621947
  H     16.36542562     12.08334755    -12.53118651
  H     18.30728807     14.51261046    -11.69808621
  O     19.32430966     13.42653331    -12.94378098
  H     15.72801235     12.92741476    -11.41126546
  H     17.64212720     10.68067664    -13.50962400
  O     13.55303228     10.96078203     -8.97698113
  H     14.64588144      9.41636252    -11.26877957
  H     18.46688460     11.80109578    -12.76014444
  O     17.26281658     11.69781267    -17.05263356
  H     13.42965603     10.16827805    -11.89749155
  H     14.01590586     15.64109966    -11.60970941
  O     16.36885411     10.56906399     -8.66537383
  H     15.91442480      9.89289534    -14.92898842
  H     13.28097480     14.66410427    -10.65394806
  O     17.76729602     15.03986456    -11.09798350
  H     17.14987187     10.39861364    -15.69979009
  H     12.90755796      6.86660911    -13.32803338
  O     17.84384188     11.07339936    -12.64654132
  H     17.21510789     14.20415140    -15.00944263
  H     13.51329451      8.10570081    -12.62951893
  O     13.20150091     15.13820673    -11.49034514
  H     17.81092787     13.09732215    -15.91684396
  H     16.35627160     12.36347586     -9.25968320
  O     13.57609999      7.54074339    -13.41796517
  H     14.03632812     11.99105573    -12.73573137
  H     15.31338122     13.50855577     -9.32862063
  O     16.19193349     13.24018785     -9.62864353
  H     12.56671218     12.28532828    -13.13589768
  H     15.63411059     14.00031962    -13.55047733
  O     15.68844644     14.75955202    -14.15000856
  H     14.26388295     14.37207411    -15.26693108
  H     15.67395413     15.53376406    -13.57650233
          69
 Energy    -250.41435865437563     
  O     -7.70444578     -2.96441072      6.75599894
  H     -7.72218652     -3.47201769      7.56360010
  H     -4.91478297      1.55906790      2.54129977
  O     -7.85363392     -2.53732820      2.46630599
  H     -7.26997452     -2.11896638      6.96821138
  H     -8.16619262      0.14860533      4.44066051
  O     -6.34245836     -3.84842414      4.41481707
  H     -7.71683931     -1.71365216      2.96026341
  H     -6.65556204     -0.23167756      4.25294385
  O     -5.49878257      1.05563365      0.88935112
  H     -8.80708077     -2.67605299      2.47572702
  H     -6.83011195      0.29634442      7.31083345
  O     -7.58447342      2.05579442      7.10290161
  H     -6.79073597     -3.61329370      5.23589750
  H     -5.80792818     -0.52918140      6.51139045
  O     -7.16921839      5.23335310      1.35755389
  H     -6.91928552     -3.54570282      3.69922334
  H     -2.39513032      4.48156810      2.46165311
  O    -10.05535241     -1.80758452      5.65957582
  H     -6.46048237      1.15563061      0.92758076
  H     -3.76215173      4.11637914      1.83047944
  O     -4.93066053     -0.36933716      4.95028948
  H     -5.33396939      0.10206060      0.93012816
  H    -10.55161872      1.78129456      4.48981507
  O     -4.83210009      3.77495927      0.50447747
  H     -7.22538882      2.50619679      6.31929022
  H    -11.85297853      2.59219965      4.26754943
  O    -10.64471440     -2.43279373      2.91196114
  H     -7.56468552      2.68951420      7.81562198
  H     -9.90302704      0.40926361      1.60433933
  O     -5.35468981     -1.66429254      1.32272294
  H     -7.67953979      5.85373503      0.84241555
  H    -11.01492366      0.84995812      2.55753601
  O     -4.62029304      1.86433143      3.41183148
  H     -7.80650009      4.69474880      1.85479813
  H     -4.81151394     -3.18726968      3.96805061
  O     -7.50437396     -0.14214682      3.80273579
  H     -9.29568227     -2.30699072      5.98468879
  H     -3.28469686     -3.27604358      3.72106136
  O     -6.47255164     -0.59221931      7.21396177
  H    -10.25070642     -2.12482381      4.76931070
  H     -8.98534258      1.17927422      6.22559007
  O     -3.29141173      4.23914116      2.67612406
  H     -4.65446508      0.41553363      4.45635455
  H     -9.78684766     -0.09164652      5.71181870
  O    -11.04588835      2.31605505      3.84146401
  H     -4.52502964     -1.13994190      4.53258811
  H     -4.72436342      5.22385687      3.49452783
  O    -10.74526839      0.12480124      1.98296373
  H     -5.03002247      2.82901705      0.46646409
  H     -6.10447598      5.61852353      2.95197437
  O     -4.02951243     -2.68342775      3.67490478
  H     -5.66497977      4.23056999      0.67844903
  H     -6.02532067      2.63444550      4.34525634
  O     -9.55798290      0.83476652      5.53113058
  H    -11.38208636     -2.92988497      2.56778776
  H     -6.32988573      4.11954920      4.60856972
  O     -5.59630050      5.53750202      3.76861822
  H    -10.73046762     -1.52827048      2.56115450
  H     -8.38617540      2.09874553      1.84493939
  O     -6.64948718      3.22292179      4.79140417
  H     -6.22769594     -2.04070617      1.48999526
  H     -7.89871299      0.70338496      2.27886092
  O     -8.18218100      1.21834826      1.50552950
  H     -4.79039169     -2.01225634      2.02295508
  H     -9.58321700      3.27482178      3.21972798
  O     -8.72052294      3.58785431      2.92038739
  H     -4.04894229      2.62738522      3.26568717
  H     -8.08432245      3.41448618      3.62943717
          69
 Energy    -250.41412745088775     
  O     12.77224566      3.05929103    -13.06137596
  H     13.20296361      2.53754026    -13.73362360
  H     11.29254741      8.89935983    -12.86380511
  O     11.57760207      1.38798035     -8.83723110
  H     11.82223780      2.84000340    -13.10268615
  H      8.95934589      7.06359432    -10.44678102
  O      9.28828281      5.36427457    -13.27521320
  H     11.10746985      2.00639372     -8.24882614
  H      8.58334397      8.17194708    -11.43958245
  O     15.66102561      7.09710533     -9.96371046
  H     11.71937889      0.58819756     -8.33735310
  H     12.25097569      5.93858786    -10.29817129
  O     11.06708084      5.80475193     -7.27193586
  H      8.83543353      6.20326072    -13.41879485
  H     12.24895943      4.42659957     -9.97233101
  O     10.13045430      2.63004104    -13.13008777
  H     10.23718528      5.54604491    -13.35717580
  H     13.80629551      5.46694536     -5.62497863
  O     13.32006258      3.01733323    -10.28288971
  H     16.57632474      7.16197420    -10.22035857
  H     12.72811695      5.73596987     -6.69933445
  O     12.05916953      5.82679380    -13.43863384
  H     15.53030216      6.20340535     -9.59486548
  H     10.12881085      1.41846555    -10.11399490
  O     11.47108811      9.18445732    -10.95232505
  H     11.33065968      5.60026607     -8.18359874
  H      8.74685296      2.08614079    -10.13780695
  O      8.35131240      8.06734401    -13.35931796
  H     10.58553935      6.64200717     -7.31933743
  H     14.01929025      7.42849115     -7.30155908
  O      7.85257935      3.36988701     -9.00762182
  H      9.79429482      2.23827291    -12.30982622
  H     14.74942860      7.96220337     -8.54400956
  O     11.00454746      8.52803309    -13.70807559
  H      9.64829193      3.45173123    -13.27430167
  H     14.55735129      4.05896003     -9.32801910
  O      8.94515383      8.02536215    -10.55737481
  H     13.18167427      2.95419173    -11.23718599
  H     14.60484266      4.92434573     -8.03796744
  O     11.74999342      5.24404796     -9.85183887
  H     12.77441654      2.34899879     -9.84568751
  H      9.07801087      5.19857578    -11.49080890
  O     13.68681925      5.71661402     -6.53778692
  H     12.52562500      6.26003338    -12.70766662
  H     10.03483074      5.18362089    -10.27162859
  O      9.36999263      1.59196104    -10.68312813
  H     12.36913319      4.91368848    -13.43192268
  H     12.70396228      7.89936278    -11.13036308
  O     14.15614462      8.22413048     -7.82972290
  H     10.60299056      8.78257518    -10.80027229
  H     14.08767301      7.18063417    -10.90615950
  O     15.08272916      4.71350226     -8.84983563
  H     11.72760267      9.59444341    -10.11663513
  H      9.28168203      3.19366315     -7.79002829
  O      9.10192723      5.24820772    -10.52538962
  H      7.79733204      8.55953664    -13.95908729
  H     10.40665842      4.04902168     -7.17009536
  O     13.20781333      7.08850350    -11.28939750
  H      9.27307138      8.30377314    -13.56947424
  H     12.87797036      9.35335972     -8.13251475
  O     10.13970932      3.13865518     -7.34931784
  H      6.92502529      3.55537978     -8.88909868
  H     12.32937547     10.78210467     -7.90610041
  O     12.14303756      9.95629328     -8.34464413
  H      8.21936393      4.09433362     -9.54459398
  H      9.41260618      8.26327612     -8.66310163
  O      9.89101949      8.24162178     -7.82606869
  H     11.45591166      7.68040956    -13.80279816
  H     10.61195891      8.87655299     -7.92173091
          69
 Energy    -250.41358634951530     
  O     -3.51071981      3.96047986      2.52421166
  H     -3.22888760      3.12566868      2.92827062
  H     -3.08802940     -2.02462855      3.80606872
  O     -1.33372310      4.86660924     -0.80502914
  H     -3.57594701      3.80633181      1.57043314
  H     -4.04521792      0.41249816     -1.53704389
  O     -0.40296721      0.79344908      2.48794250
  H     -1.17420835      5.05341440      0.13816354
  H     -3.70824722      0.66760454     -0.05883597
  O     -4.05894556     -2.55259503     -0.39324253
  H     -1.10141182      5.65641962     -1.28632218
  H     -5.49009640      3.06073848      0.23784966
  O     -1.41054534     -2.47824989      0.15169235
  H     -0.56384008      0.61732930      1.54929376
  H     -6.39016321      3.10054641      1.49861763
  O     -4.48621604      0.49790261      1.52441833
  H      0.18222459      1.55909485      2.52385945
  H     -0.10758642      3.33983256     -0.73022186
  O     -6.17721262      3.85419707      3.22221104
  H     -4.59829126     -2.52421662      0.41050897
  H      0.12702293      1.81894232     -0.51386753
  O     -7.92166512     -0.68041056      2.35109467
  H     -4.52374968     -2.00958799     -1.03888848
  H     -2.98951451      4.06538238     -0.55998012
  O     -2.86931717      1.46771694      3.47762843
  H     -2.35848202     -2.52194656     -0.06925166
  H     -3.59353060      2.64256755     -0.60055920
  O     -5.48417735     -0.68407367     -2.05805402
  H     -1.02500248     -3.30095688     -0.13775837
  H     -3.79971558      0.85862521      4.85213102
  O     -5.50988418     -2.07063072      1.91196225
  H     -4.83705617     -0.39483918      1.64044637
  H     -4.11712526      0.64317344      6.35084136
  O     -3.99380521     -2.08883535      4.14687029
  H     -5.22080243      1.09510361      1.33827496
  H     -0.29473316      4.49553441      2.13593235
  O     -3.43320069      0.88857556     -0.96402164
  H     -5.22731864      3.98461131      3.06347377
  H     -1.80680325      4.81815653      2.27532116
  O     -6.23925357      2.62921043      0.67073576
  H     -6.51518421      4.67950492      3.56089443
  H      0.99223974      3.00826246      1.20952673
  O      0.54382351      2.68863109     -0.44450383
  H     -7.54842044     -0.01635274      2.95758031
  H      2.01450902      3.34373181      2.32381390
  O     -3.74074391      3.53810748     -0.26154186
  H     -8.75694025     -0.95039810      2.72366617
  H     -6.63106921      2.08403765      3.82675722
  O     -4.43327567      0.45572494      5.47059435
  H     -3.43993198      1.06419001      2.80271194
  H     -6.04364989      0.86938393      4.57271585
  O     -0.98179543      5.12266744      1.87704085
  H     -1.96048768      1.24735658      3.23537011
  H     -1.46493606     -2.13336993      2.04384013
  O      1.09110540      3.16441490      2.16727901
  H     -5.90964385     -0.86020091     -2.89275980
  H     -1.00151295     -0.99260959      2.95791871
  O     -6.78045163      1.15083958      4.01541955
  H     -6.18185927     -0.38507507     -1.44780209
  H     -0.89409116     -0.72096497     -0.16725457
  O     -1.49281361     -1.82193435      2.95665732
  H     -5.02982673     -2.18277351      2.74928259
  H     -1.71189961      0.51082049     -0.59149649
  O     -0.85187649      0.24159018     -0.23877744
  H     -6.40271937     -1.76712090      2.11033451
  H     -7.63077354     -0.12922418      0.52698089
  O     -7.34033828      0.26854441     -0.30202148
  H     -4.13740524     -1.31622334      4.70244794
  H     -7.09732034      1.17809201     -0.07885481
          69
 Energy    -250.41295499689198     
  O     11.49743055      5.78685964    -14.29179980
  H     11.52269302      6.35303772    -13.49730128
  H     16.09675437      5.31257072    -13.23342738
  O     16.57329269      6.17830637    -11.74721600
  H     10.57976454      5.66737664    -14.51844351
  H     19.81759330      9.41438937    -12.39123956
  O     17.13251377     10.60083001    -11.18370644
  H     16.47654284      7.06246966    -12.13557363
  H     19.56802882      8.14990703    -13.22503448
  O     17.75684727      9.52707886    -16.87027309
  H     17.36703717      6.22432623    -11.20323828
  H     17.74943120     10.85647256    -15.54098503
  O     13.35581432      4.03693004    -12.91610614
  H     17.95804985     10.97033673    -11.51644920
  H     16.81265856     11.70376447    -14.66220016
  O     13.21470021      9.60447685    -11.43493797
  H     16.90720893      9.88491269    -11.79860675
  H     15.72868438      8.87553733    -13.46508483
  O     13.96866446      5.87100742    -10.76426286
  H     18.09740063      9.69793596    -17.74469530
  H     17.21365772      8.40673772    -13.66022037
  O     14.95397830     11.93584652    -14.52029033
  H     17.03267518      8.88445807    -16.97492828
  H     12.54606469      6.70518490    -11.62273941
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  H     12.63586827      4.47825699    -13.38294811
  H     12.08747234      8.14426643    -11.87791967
  O     14.19513349      8.17619504     -9.16140631
  H     13.45346906      4.50104994    -12.07425747
  H     16.98602196      9.44933763     -9.76256356
  O     18.58524700      7.81432809    -14.78669071
  H     13.61775013     10.48581134    -11.42969101
  H     17.54618135      8.04932313     -9.46572418
  O     15.68436089      4.94439753    -14.02856663
  H     13.56002988      9.14050166    -10.66199823
  H     18.84917284     11.35558357    -13.44420667
  O     19.87346820      8.45174047    -12.35932021
  H     14.87879814      5.89277055    -11.09190674
  H     20.03107008     12.00746057    -12.68945983
  O     17.73724153     11.45415721    -14.78404467
  H     13.94738525      6.54771487    -10.07505928
  H     19.59882235      6.53000589     -9.86412421
  O     16.52847020      8.59221192    -13.00580923
  H     14.60291725     11.03093677    -14.45552278
  H     19.25716897      7.49046281    -11.02536914
  O     11.85595184      7.22572609    -12.05751250
  H     14.37441928     12.41188326    -15.11007506
  H     14.77176966     12.12050253    -12.57678155
  O     16.85592616      8.66912604     -9.20500824
  H     17.95176320      4.63100336    -16.26570502
  H     15.55591816     11.57029339    -11.37599242
  O     19.42500308     11.27217693    -12.66238812
  H     16.88879039      5.15338903    -15.27113924
  H     13.03479432      6.49219592    -15.03977575
  O     18.86960780      6.93718794    -10.32378255
  H     15.15708787      8.32696899     -9.14338287
  H     14.53656611      6.24859920    -14.76968216
  O     14.68998519     11.91328280    -11.63896238
  H     13.86648569      8.40461735     -8.29565589
  H     13.92086779      8.51843122    -14.47615409
  O     13.91625604      6.85457064    -15.19655059
  H     18.46853564      8.43919651    -15.51365720
  H     13.71647392      9.37853110    -13.17666208
  O     14.09075114      9.37857494    -14.07046308
  H     18.33449110      6.94747929    -15.13009909
  H     15.12980377      7.37891120    -16.55566750
  O     15.94806579      7.51357294    -17.04975390
  H     14.90432465      4.45556143    -13.72891708
  H     16.50019283      6.75063995    -16.83564816
          69
 Energy    -250.41268025729977     
  O     17.05508056      8.67812339    -12.80795301
  H     16.47257353      9.14470157    -13.42839862
  H     17.48338619     11.62147182    -11.84377279
  O     14.34491354     11.61413836    -10.71910284
  H     17.05528801      9.20164144    -11.99757926
  H     15.94656362     11.17852187    -17.04985234
  O     14.08428409     13.12964121    -14.77007398
  H     13.92870275     11.09694814    -11.42778446
  H     16.90678760     11.86616587    -16.01077610
  O     15.27074035      7.12165373    -15.84287402
  H     14.56677131     12.46277475    -11.11964451
  H     15.19583561      8.89469264    -15.10363767
  O     12.20127753      7.39821461    -10.11945508
  H     14.72027146     12.75304632    -15.39488140
  H     15.50648249     10.42511456    -15.21769180
  O     15.19647385      6.62729792    -13.10673682
  H     13.26072378     12.64507315    -14.88821542
  H     11.98853404      8.23614979    -14.64489592
  O     13.30276690     10.20298362    -12.79428475
  H     14.58732790      7.29528090    -16.50299710
  H     11.75103847      9.62287568    -15.29204469
  O     18.74648305      9.02551223    -15.02653524
  H     16.12201160      7.21707665    -16.29134279
  H     16.59179305      7.80797174     -8.09742658
  O     14.87023963      6.32921961    -10.31721355
  H     11.50743135      7.13040840     -9.52277902
  H     15.77437089      7.50205393     -9.37341110
  O     18.51808047     11.85898424    -15.05050851
  H     12.62019903      8.18475602     -9.72614579
  H     14.73589280     13.56617763    -13.22185804
  O     17.65028105      7.78112192    -17.14917413
  H     15.19840605      6.57217172    -14.07179333
  H     15.10674219     14.72603684    -12.26924566
  O     17.54191458     12.26103590    -12.56319923
  H     15.89090913      7.26809087    -12.89175593
  H     15.97966171     10.78605420    -10.59334733
  O     15.99046487     11.80262109    -16.30904665
  H     12.95886652      9.30641022    -12.69496872
  H     16.74508313      9.63494196     -9.90856666
  O     15.25902956      9.71978058    -14.60779170
  H     14.02791836     10.13115296    -13.43553256
  H     14.44382853      9.11067271     -8.82222073
  O     11.85825753      8.68487613    -15.48952966
  H     18.32746820      8.79938586    -14.18558427
  H     13.74569174     10.31658933     -9.47763429
  O     16.15254846      8.22084192     -8.83618171
  H     18.75408460      9.98994835    -15.06597087
  H     14.91738359      9.25550672    -18.01955879
  O     15.13359706     13.77701613    -12.35787221
  H     15.02254463      6.25462409    -11.26814089
  H     16.44336556      9.08129458    -17.87699749
  O     16.83346947     10.32958124    -10.57329561
  H     13.93371229      6.53854956    -10.21657625
  H     12.27653852      7.42077725    -11.98132566
  O     13.57550694      9.47875747     -9.02883882
  H     19.25367889     12.45237509    -15.17811624
  H     13.43457621      7.19917751    -12.98759573
  O     15.75598317      9.72891950    -18.07812374
  H     18.19567959     12.00503594    -14.14227587
  H     12.21705446     11.08698664    -13.87962389
  O     12.53994804      7.55950860    -12.90058270
  H     18.09662819      8.22088889    -16.40273794
  H     10.91861915     11.82301926    -14.28537957
  O     11.72542028     11.45208602    -14.63612642
  H     18.31736203      7.28441408    -17.61459221
  H     12.83341962      7.74253064    -18.33286430
  O     13.38428259      8.10862475    -17.64607216
  H     16.76231157     12.82509877    -12.48647694
  H     12.79186087      8.33806643    -16.90752211
          69
 Energy    -250.41236444829133     
  O     16.23342944     12.68596961    -18.14581474
  H     16.05067629     13.27268506    -18.87429247
  H     17.62550571      7.96050836    -17.95862489
  O     18.90170090      7.56435780    -10.95415607
  H     17.10318101     12.27951105    -18.32012438
  H     16.53511381     10.14293614    -15.91816936
  O     21.19270552     12.42683889    -14.55950360
  H     18.72762245      8.51440468    -10.91972439
  H     16.85170345      9.96853122    -14.39506955
  O     18.54377106     11.34592205    -18.52330285
  H     18.22072982      7.18278114    -11.52251105
  H     16.05914867      9.54675529    -17.93617088
  O     15.30150409      6.28776128    -15.14118019
  H     21.24121485     11.71101641    -13.91639929
  H     15.52548576     10.98463152    -17.69426568
  O     18.53257279     10.37049517    -11.40878502
  H     20.45915312     12.99216875    -14.27206169
  H     20.22186903     10.05221570    -16.19469656
  O     16.37397609      9.33903998    -12.75165358
  H     19.37952029     11.46033003    -18.05491391
  H     18.83259771      9.78583517    -15.53932375
  O     18.96546360     13.81149565    -13.73659809
  H     18.35517948     10.39960318    -18.54191470
  H     18.02949908      6.78319071    -13.66893816
  O     21.20909418      7.27781934    -12.36291793
  H     14.67247183      5.58501259    -15.28208944
  H     16.51630013      6.46328947    -13.73644339
  O     15.36354659     12.86180521    -13.00421381
  H     14.81417346      7.12446954    -15.24509507
  H     21.09073865      9.15703604    -12.78653242
  O     14.02608811      8.65349679    -15.46400829
  H     19.31991160     10.36081816    -11.97194878
  H     20.38713420      9.86724032    -13.95652676
  O     17.53164274      8.65375721    -18.63538010
  H     18.26441860     11.29155240    -11.29647167
  H     21.06732784     11.91576275    -16.19975826
  O     17.18764281     10.32002586    -15.22924208
  H     16.60585968      8.40797096    -12.86854851
  H     21.82762149     11.57172010    -17.50050727
  O     15.42612389     10.06424525    -17.41932534
  H     17.08536903      9.75011023    -12.24091192
  H     17.37136955     13.61685323    -10.66481997
  O     19.73954232      9.45137411    -15.61588431
  H     18.57683162     13.59825627    -12.88137061
  H     16.70909882     12.94570962    -11.89073195
  O     17.21858789      6.75243246    -13.14007746
  H     18.25260123     13.70125801    -14.37962963
  H     19.66205669      7.77611953    -15.07028964
  O     20.75211062     10.01382621    -13.07120218
  H     21.88413169      6.80130197    -11.88763961
  H     20.22046907      6.86002807    -13.96291060
  O     20.97795143     11.49492519    -17.07492965
  H     20.43216103      7.32449452    -11.77679234
  H     13.29806381     10.18898632    -12.46008458
  O     17.52397153     12.98007676    -11.35831678
  H     15.73901670     13.03881162    -13.87815747
  H     14.75857780      9.97637876    -12.92557535
  O     19.56440267      6.89765852    -14.66851608
  H     14.76786968     12.11243658    -13.11041547
  H     17.04577630     12.12523420    -15.27757815
  O     13.90499424     10.37591136    -13.17291094
  H     14.36155954      9.16291167    -16.21427546
  H     16.56107682     13.14389607    -16.32149005
  O     16.81075113     13.05850512    -15.39552666
  H     13.86703070      9.28338734    -14.75170875
  H     18.35581276      6.60900851    -16.12103768
  O     17.63222708      6.70794541    -16.75154933
  H     17.56362834      8.21033972    -19.47960158
  H     16.82196595      6.51968054    -16.26260033
          69
 Energy    -250.41206024796219     
  O     14.30677349     10.71118816    -10.44145415
  H     15.11356412     10.43620402     -9.99205174
  H     18.67246978      4.94738840    -14.22094277
  O     14.68914148      7.00965031    -15.03911878
  H     14.57720230     10.97358937    -11.33289916
  H     18.79430078      9.26408215    -11.79306022
  O     16.32819564      4.89204501    -11.49494234
  H     15.12781031      6.15892472    -14.91291233
  H     18.38192936     10.70848733    -12.09370214
  O     18.78238532      7.75667124    -12.92922544
  H     13.83793077      6.93298039    -14.58617579
  H     17.00728114      8.25876179    -13.11205920
  O     13.12741672     10.90463218    -15.04247685
  H     16.22456917      5.78067944    -11.12453922
  H     15.63440170      7.96251688    -13.81777314
  O     13.06120534      6.76823847    -10.84081678
  H     15.51330764      4.41771224    -11.27567350
  H     12.81319962      9.85489789    -10.52677223
  O     12.41517758      6.45231346    -13.53742308
  H     18.89456827      6.84521924    -12.63334191
  H     11.34403539      9.75871777    -10.05083863
  O     15.75035498      7.43569616    -10.60537606
  H     19.05399854      7.78560643    -13.85564253
  H     14.07310091      3.93240924    -14.15271204
  O     17.77050031     10.03953923    -16.21073402
  H     12.52315124     11.55200120    -15.39545166
  H     12.88898621      2.99534442    -14.48143283
  O     19.21237993      7.74170951    -15.69933487
  H     12.59478375     10.28689403    -14.50946624
  H     11.82398707      8.23488582    -13.61813636
  O     15.15308135      9.41317524    -16.36847645
  H     13.99058725      6.98492336    -10.67811010
  H     11.77019643      9.31587326    -12.52274678
  O     18.31743605      5.02750539    -15.11603990
  H     12.57261399      7.58355115    -10.67105330
  H     18.03570884      4.86861337    -11.95301037
  O     18.55995693     10.09676837    -11.36520306
  H     12.65034560      6.54738391    -12.60199469
  H     19.52072345      4.48263134    -11.76430182
  O     16.06172030      8.45789374    -13.10788391
  H     12.46884511      5.51017932    -13.73645256
  H     15.93101667      4.70801815    -13.31371343
  O     11.98210024      9.35689809    -10.63412502
  H     16.10133526      8.10753884    -10.01025392
  H     16.62248214      4.61348558    -14.69719350
  O     13.14445913      3.73825547    -13.94054798
  H     15.78022454      7.82983529    -11.49188126
  H     13.42030028      3.78205525    -11.99815889
  O     11.74737008      9.18716724    -13.47904266
  H     16.82174154      9.82474676    -16.26620665
  H     13.37200694      4.85845235    -10.89527320
  O     18.93281188      5.00573126    -12.30305260
  H     17.93642266     10.69563111    -16.88362910
  H     16.89465497     11.57452372    -13.45481549
  O     15.76293763      4.56153446    -14.25480921
  H     18.69443500      8.53345287    -15.91809042
  H     17.89430790     11.03529077    -14.48245077
  O     13.75809480      4.00164175    -11.12191398
  H     20.03249634      7.81266784    -16.18305370
  H     17.18011254      9.99426091     -8.54112697
  O     17.84007756     11.52752699    -13.65698192
  H     14.45039210      9.96671035    -16.00676833
  H     17.43314653      9.90493683    -10.06338234
  O     16.77935944      9.72509800     -9.36285186
  H     14.96446273      8.51579917    -16.06169129
  H     15.47027301     10.16324527    -13.09379122
  O     15.14111623     11.07620977    -13.07072646
  H     18.56300174      5.90870476    -15.42001408
  H     14.45504001     11.13902446    -13.74513452
          69
 Energy    -250.41171845837113     
  O     19.79665837     10.70088220    -11.67334691
  H     20.52060283     10.94043656    -12.26177180
  H     17.94325713     10.84635298    -16.36531849
  O     14.61186430     15.05004941    -12.49439679
  H     19.31978029     11.52425654    -11.49517846
  H     19.88205348     14.83135641    -14.16947021
  O     20.54264582     14.27431008    -12.59162542
  H     14.10899697     14.48601288    -13.11249947
  H     18.46496527     14.92300018    -14.78348099
  O     17.26121272     11.72788239    -17.79799493
  H     14.11127234     15.85492289    -12.38955629
  H     14.54979784     10.72419899    -12.61965672
  O     20.48926248     12.42084538    -15.79368389
  H     21.09750072     13.49948366    -12.73630698
  H     14.33113745     10.16019326    -14.07106795
  O     15.32039363     10.59995460    -11.02985671
  H     19.74752654     13.94441723    -12.14969227
  H     17.81516193     12.63766649    -12.39180797
  O     17.12493755      8.47295850    -14.23741180
  H     18.11154463     11.91666317    -18.21224268
  H     17.49683737     13.24726913    -11.02181049
  O     21.78228702     11.78041500    -13.43895108
  H     16.88676775     12.58651211    -17.55002361
  H     12.78098723     13.28182427    -17.68415083
  O     19.85286020     12.65827186    -18.55180111
  H     20.09240414     13.25951456    -15.51260698
  H     13.84476789     12.29399876    -17.15071370
  O     13.35385948     13.43721718    -14.22382294
  H     20.44060752     12.40867949    -16.75699007
  H     18.48077310      9.58263965    -11.57174045
  O     15.70201773     13.45844597    -10.44764801
  H     15.53030352     11.50259271    -10.76514051
  H     17.88650507      8.33172544    -10.88822406
  O     18.41449347     10.55146067    -15.57268323
  H     16.15612135     10.12513825    -11.12718296
  H     16.27678598     14.46356311    -16.20093819
  O     19.40355992     14.87354085    -15.01065436
  H     17.30006842      8.61892045    -13.29995604
  H     15.20266036     13.99649908    -17.20755121
  O     14.32497322     10.96002666    -13.53301146
  H     17.70002153      9.08211383    -14.72078933
  H     16.75057344     13.75544209    -14.28162266
  O     18.23063809     12.99551520    -11.59200644
  H     22.70922073     11.59222749    -13.56502568
  H     16.05228681     15.03785020    -13.79965416
  O     13.50877405     13.20570082    -17.07282256
  H     21.41349021     11.95718575    -14.31972265
  H     14.21591276      7.92572502    -15.33072921
  O     17.67953038      9.03441807    -11.49973687
  H     19.52006995     13.55507884    -18.35984791
  H     15.54720827      8.59259481    -14.90733604
  O     16.13830900     14.21841771    -17.12725032
  H     20.33266983     12.71105896    -19.37362416
  H     17.41573457     11.49978338    -14.40086663
  O     16.67894854     14.70945526    -14.45105868
  H     13.34762535     13.44284193    -15.18712939
  H     16.01156450     11.67288806    -13.74235640
  O     14.65649618      8.76827357    -15.26171736
  H     13.58728639     12.53269258    -13.96569684
  H     19.10753290     15.14629015    -16.85948084
  O     16.88552783     12.07272194    -13.83382115
  H     15.30933557     14.00666098    -11.14499536
  H     17.83818008     14.89888058    -17.69859611
  O     18.79486206     15.01623968    -17.76558116
  H     15.34652021     13.77585552     -9.62047873
  H     14.65755994     10.04808616    -16.65810502
  O     14.64264425     10.75901776    -17.30966271
  H     19.22306307     11.07715484    -15.54306387
  H     15.55634079     10.91339324    -17.58166791
          69
 Energy    -250.41135190139329     
  O     15.86707336     10.64887352    -15.96141388
  H     14.90774495     10.65937819    -15.84460417
  H     17.76845864      5.70162218    -16.34406226
  O     16.08521457      4.89649149    -13.53313278
  H     16.24745882     11.17406242    -15.24384100
  H     18.59842998      5.28037816    -11.17092461
  O     16.81676968     13.70710261    -11.48782840
  H     16.37736699      5.06250460    -14.44120631
  H     18.05789036      6.68520481    -11.50068132
  O     19.44434022      8.90411434    -14.71653535
  H     16.81441389      5.16162440    -12.96172604
  H     16.21158874      8.18782988    -13.86609614
  O     15.03165388      7.21352295    -17.61885837
  H     16.98796569     14.63594860    -11.36049088
  H     16.37286352      9.01804359    -15.16432963
  O     16.91222219     10.25055685     -8.98355169
  H     17.54337239     13.22332833    -11.05384830
  H     12.33783635     10.82572353    -15.78003461
  O     15.14552114      8.18205648    -12.34759648
  H     19.62646798      8.90249689    -15.66634055
  H     13.10445016      9.52129867    -15.44036109
  O     16.73602244     11.80175322    -13.56737843
  H     18.50770422      8.66304711    -14.63811903
  H     17.33213449      8.87013447    -10.16736290
  O     20.05334606      6.23882526    -14.12525482
  H     15.61017386      7.91025486    -17.94844081
  H     16.59998766      8.22713858    -11.37517273
  O     13.66293259      6.06869646    -13.37947482
  H     15.61919917      6.57887734    -17.18548655
  H     13.81553579      7.59024579    -16.34893295
  O     19.57035788      5.65737504    -16.73213987
  H     16.70074600     10.21625234     -8.05430051
  H     13.35602933      7.19172815    -14.91683026
  O     16.87122149      5.84750988    -16.02039014
  H     16.19790276     10.75428500     -9.41382676
  H     18.91609767     11.51591490    -11.10103933
  O     18.28229290      5.82475073    -11.88932652
  H     14.52715573      7.48677091    -12.60423988
  H     18.21210000     11.50666202     -9.73784734
  O     16.74873487      8.28507754    -14.66138961
  H     14.71412285      9.04016794    -12.46124830
  H     19.21603726      9.87439197    -13.23598591
  O     13.11943960     10.49360728    -15.34838127
  H     16.73443492     12.58857336    -13.00845507
  H     18.38741342      9.54021446    -11.96219075
  O     17.46092697      8.29403348    -10.93110711
  H     17.45277795     11.24085366    -13.23700215
  H     14.59007047     11.39917933    -11.05329728
  O     13.24880602      7.85298038    -15.60773854
  H     19.48564638      6.03304696    -13.37448706
  H     15.54199268     12.53178999    -10.63609349
  O     18.67591310     12.08493093    -10.35508276
  H     20.00078445      7.19842238    -14.24033057
  H     18.60584698      8.70091056    -17.75291273
  O     18.78805136     10.26475029    -12.46107121
  H     14.50008061      5.57225793    -13.43544994
  H     19.50251623      7.50204524    -17.35403706
  O     15.06533584     11.76395529    -10.29605177
  H     12.99611938      5.45272550    -13.08877823
  H     13.71924368     10.72523932    -13.60278634
  O     19.48240673      8.46455738    -17.42642158
  H     20.15167973      4.98431922    -17.07508164
  H     15.11573716     11.11220719    -13.05790816
  O     14.25490040     10.74861293    -12.80032905
  H     19.80877113      5.78535488    -15.79578708
  H     16.53738654      9.92445261    -17.46947414
  O     16.85242758      9.38723761    -18.21471696
  H     16.86734298      6.70811445    -15.57242278
  H     16.81487975      9.94741523    -18.98714895
          69
 Energy    -250.41116879565578     
  O     15.93932752      8.88008328    -15.66048572
  H     16.36903367      9.38193078    -16.37564943
  H     16.86360310     11.36753859    -17.15715017
  O     17.80992021     15.35194239    -16.42713677
  H     15.48076162      8.15206203    -16.07153038
  H     18.98470394     11.85336778     -9.77151562
  O     21.94038382      9.90056477    -15.38584385
  H     17.58414993     16.00617097    -17.08289183
  H     19.63538377     10.47520258    -10.00163133
  O     19.35756918     13.65630918    -10.44555953
  H     18.60333451     14.88713089    -16.75253451
  H     19.47963651     16.14651973    -12.22291345
  O     15.01211068     12.13133912    -11.98157698
  H     22.87480263      9.79798839    -15.54999246
  H     19.77275504     17.18126964    -11.11513719
  O     21.28295992      9.74839568    -10.66660648
  H     21.83737823     10.70489802    -14.84661675
  H     20.93371682     12.85519589    -10.89287447
  O     16.76192400      9.92989867    -11.35688200
  H     18.64899591     13.49683011    -11.08684193
  H     21.73472011     11.52713465    -10.92371977
  O     19.85345508     11.13062058    -16.87544115
  H     19.57420803     14.59132570    -10.53494357
  H     17.22138453      8.87990002    -14.30501862
  O     21.22832048     14.74446793    -14.63939164
  H     14.15882368     12.31006830    -11.59665915
  H     17.45047063      9.30124351    -12.81042728
  O     21.32549534     12.10437553    -13.88984152
  H     14.85314970     11.80407772    -12.88592106
  H     20.64573577     14.24490864    -16.37290859
  O     14.79343531     11.27631134    -14.53039857
  H     21.04675742      9.35958443    -11.52741449
  H     20.06893319     13.03032209    -17.15159087
  O     17.15223123     10.50334690    -17.48127758
  H     21.70057116      9.05693385    -10.15967970
  H     21.72584766     15.56834010    -11.81168508
  O     18.80632131     10.90646446     -9.76066270
  H     16.10702015     10.63004138    -11.44409111
  H     22.43489008     14.20189199    -11.78082023
  O     19.95936098     16.28679526    -11.39048064
  H     17.42828627     10.24905937    -10.73012813
  H     18.27691546     15.60144674    -14.61865999
  O     21.75921713     12.45243868    -11.20080177
  H     19.34700405     11.28267100    -16.06582789
  H     18.14741207     14.80236147    -13.29483114
  O     17.89519120      9.09718490    -13.65096954
  H     20.60776756     10.59778499    -16.59684694
  H     19.65636509      8.72252533    -13.29416831
  O     20.04725691     13.99265507    -17.08900865
  H     20.34646970     15.01921967    -14.35388484
  H     21.05471785      8.95740009    -13.91163135
  O     22.45800773     15.07204506    -12.19869891
  H     21.81982020     14.94364197    -13.89804336
  H     18.38626821     10.73333164    -14.07143715
  O     18.64082947     15.51419631    -13.72899130
  H     21.34498509     13.00492998    -14.24065165
  H     19.57217508     11.77105721    -14.09206278
  O     20.60235769      8.73393590    -13.09157635
  H     21.52046975     12.16508109    -12.94506749
  H     17.33598424     12.46588136    -15.36587245
  O     18.64162970     11.63492501    -14.32023797
  H     15.28158153     11.90814757    -15.07614900
  H     16.90525757     13.72657225    -16.14981423
  O     16.64809734     12.82037967    -15.94728396
  H     15.05491050     10.40314450    -14.84401207
  H     16.58598785     13.03309580    -12.22739994
  O     17.47115972     13.34426804    -12.45535897
  H     18.11333024     10.56446591    -17.53750113
  H     17.86286662     12.67162111    -13.02867059
          69
 Energy    -250.41102804769639     
  O     12.97958665     11.11066093    -15.23439948
  H     12.46118437     10.73692247    -14.51191269
  H     20.50072932      5.22628379    -12.33600850
  O     15.47510505      5.57654136    -12.39048341
  H     13.02210523     10.44574997    -15.93260907
  H     16.84247750      9.49433897    -16.50530838
  O     17.54665243      9.23113893    -11.07229308
  H     16.23472952      5.79453250    -11.83173217
  H     16.06751465     10.81610235    -16.30915157
  O     17.82808775      8.24872580    -15.51360758
  H     14.69807140      5.97791752    -11.97708617
  H     15.59679652      6.97581354    -13.54860294
  O     13.36158559      6.97653467    -15.71643293
  H     17.02816605      9.61377993    -11.79667798
  H     14.74478757      7.53307770    -14.71384613
  O     13.48995760      6.97628397    -11.10142865
  H     17.04424547      9.43815694    -10.27587482
  H     10.61229893     10.22017930    -12.88194526
  O     15.82631773     10.16885294    -13.00010165
  H     16.99728018      8.01553748    -15.07070629
  H     11.56613204      9.04454716    -13.20276699
  O     17.88785625      5.92953943    -16.94338738
  H     18.46787702      8.40124411    -14.80438521
  H     12.30437243      7.00584821    -12.64782425
  O     15.31679455      6.79291861     -9.02910580
  H     13.35598739      7.69803371    -16.35855043
  H     12.29832312      7.11169890    -14.20371672
  O     18.40650744      4.47699755    -14.55225431
  H     13.91226988      6.26166164    -16.07289088
  H     18.92404249      8.81588553    -12.45430453
  O     15.75554758      3.53301073    -14.15646321
  H     13.98225548      6.78290653    -10.28923452
  H     19.56533434      7.52173157    -12.98239197
  O     19.67527506      5.67927646    -12.48606959
  H     13.54536440      7.93523085    -11.20693155
  H     17.57206394      7.40416123    -10.91450091
  O     16.15611458     10.05230711    -16.89286883
  H     15.80657898     10.87831281    -13.65192485
  H     18.33704899      6.10475056    -11.26827751
  O     15.50759534      7.72272762    -14.15286496
  H     15.68525142      9.32999005    -13.46660369
  H     15.30075716     10.31407672     -8.43652235
  O     11.52781299     10.00514386    -13.03992770
  H     17.93324668      6.79453410    -16.50109886
  H     14.78579301      9.77982909     -9.79017157
  O     11.81415919      7.35395845    -13.40212941
  H     18.36668060      6.01439770    -17.76375961
  H     16.05152199      5.36009895    -16.75037880
  O     19.36100581      8.43432139    -13.22378333
  H     15.39933547      7.74465384     -8.88859830
  H     15.30588303      4.45449397    -15.75803792
  O     17.55489239      6.44119624    -10.81309071
  H     16.13543334      6.52614573     -9.46605345
  H     12.91046332      9.99632540    -11.75765162
  O     15.47656463      9.66788176     -9.11622343
  H     17.56239852      4.03228939    -14.40842838
  H     14.45073121     10.00519674    -11.88385405
  O     15.16945525      5.07082244    -16.48875135
  H     18.32485984      4.92094809    -15.40509529
  H     14.54506513     11.82049236    -15.07450272
  O     13.72349464      9.81961644    -11.26981561
  H     15.36952548      2.72977469    -13.81728260
  H     15.51479114     13.03133119    -15.05815119
  O     15.48269176     12.08058998    -15.00261508
  H     15.59728068      4.22485902    -13.49030011
  H     13.36866642      9.38425225    -18.24486278
  O     13.59802934      9.24956918    -17.32900607
  H     19.24055099      5.22956731    -13.23258785
  H     14.53602084      9.49600213    -17.23560729
          69
 Ord_Energy   -250.410645    
 O   -7.73125744      -13.8953791       7.64874792    
 H   -7.17383862      -13.1075115       7.50003242    
 H   -7.23563957      -14.4877996       8.20682526    
 O   -10.5018978      -7.83695126       7.37236214    
 H   -9.60837460      -7.48248959       7.28088474    
 H   -10.7770662      -8.09996605       6.48213005    
 O   -7.75211477      -8.24674892       4.36888075    
 H   -7.40726423      -9.15009594       4.40805054    
 H   -8.45075035      -8.27021122       3.70604920    
 O   -9.91669369      -8.66851711       2.49722934    
 H   -10.0145988      -8.23462772       1.65389013    
 H   -9.85219193      -9.62250519       2.31208730    
 O   -11.2615042      -8.90795135       4.94537306    
 H   -10.9553633      -8.65695190       4.06678486    
 H   -10.7258415      -9.68109322       5.18879080    
 O   -13.5852470      -9.93093491       6.07340956    
 H   -12.8086662      -9.54925728       5.63711643    
 H   -13.2773237      -10.5648031       6.73805857    
 O   -7.66984797      -13.1140776       2.83339262    
 H   -7.14069033      -13.6928968       2.29111814    
 H   -8.00612545      -13.6543932       3.57043600    
 O   -13.1484985      -8.12401772       8.30933285    
 H   -12.2645187      -7.82791662       8.05057621    
 H   -13.5119152      -8.56900024       7.53468323    
 O   -7.25242519      -10.9686327       4.59994936    
 H   -8.16961098      -11.0064764       4.91392040    
 H   -7.18752575      -11.6521578       3.92344093    
 O   -10.1325350      -12.5480490       7.88675308    
 H   -10.0103865      -11.7066374       8.35510826    
 H   -9.29828072      -13.0367002       7.92514420    
 O   -10.0921860      -10.0508804       9.04269600    
 H   -10.8602686      -10.0466681       9.62596893    
 H   -10.2215948      -9.31238461       8.42900372    
 O   -13.9322338      -13.8196592       6.34602404    
 H   -14.2335472      -13.2829142       5.60362053    
 H   -13.7442322      -13.1885910       7.05418682    
 O   -12.8754358      -11.8176937       8.05881119    
 H   -11.9684954      -12.1457930       8.01290798    
 H   -12.9326639      -11.3031406       8.87383080    
 O   -12.6853714      -9.99870014       10.2095861    
 H   -13.1005764      -9.82232475       11.0489597    
 H   -12.9206400      -9.26338100       9.61436176    
 O   -11.6583891      -12.5925455       3.79067063    
 H   -12.5849123      -12.3277540       3.84649539    
 H   -11.5453053      -13.3311911       4.40397310    
 O   -14.3487825      -11.8496199       4.26146221    
 H   -15.1119957      -11.6246729       3.73573017    
 H   -14.1933928      -11.1049099       4.86644220    
 O   -7.83328009      -7.20266581       6.86789894    
 H   -7.28616524      -6.42225742       6.89455843    
 H   -7.78668785      -7.54666519       5.95766926    
 O   -9.89477348      -11.1873350       5.45117283    
 H   -10.4523888      -11.6717110       4.82563019    
 H   -9.93183136      -11.6555958       6.29228830    
 O   -6.37742233      -11.6617947       7.16909981    
 H   -6.52004671      -11.3990746       6.25074482    
 H   -6.61171055      -10.8942080       7.71068335    
 O   -11.2831879      -14.4119148       5.89823866    
 H   -10.8992281      -13.9097719       6.62552118    
 H   -12.2408895      -14.4011545       6.05088711    
 O   -9.81699276      -11.3651352       2.07113695    
 H   -9.04388237      -11.9237843       2.21527719    
 H   -10.5478640      -11.8313856       2.49867535    
 O   -8.58968067      -14.5336723       4.97976446    
 H   -8.18844414      -14.3764820       5.84322119    
 H   -9.52296543      -14.6995974       5.15833378    
 O   -7.32182312      -9.47369003       8.56894207    
 H   -8.20144844      -9.67042637       8.91175556    
 H   -7.41978359      -8.68352509       8.02370167    
          69
 Energy    -250.40975313191262     
  O     -7.69264752     -1.38760296      6.36922412
  H     -7.42464623     -2.11952262      5.80185995
  H     -6.43131652     -2.68820100     -0.04385479
  O     -8.20133809     -1.75543577      2.52644642
  H     -6.89124417     -0.89317549      6.58098649
  H     -4.37616299      1.23841646      1.49900817
  O     -7.13604212     -3.43214096      4.42138190
  H     -9.14457098     -1.55612913      2.60762348
  H     -3.13564717      2.12060387      1.80077990
  O     -5.47373616      0.67394312      0.12297496
  H     -7.74435731     -0.98627158      2.90357205
  H     -6.11881766      0.34382693      3.78555124
  O     -5.98337652      2.74404319      6.01672869
  H     -7.60598689     -2.92372992      3.73817389
  H     -7.47906893      1.04820006      4.12193974
  O     -5.70659683      5.36402908     -0.17188422
  H     -7.56569631     -4.28235947      4.47772099
  H     -4.84505275     -0.04054088      5.92828048
  O    -10.50665544      1.62617917      1.48790167
  H     -5.61632339     -0.27669676      0.19258903
  H     -4.58193423     -0.14304039      7.44875398
  O    -10.06651562     -0.19004892      5.82075379
  H     -6.32074118      1.08625533      0.35169132
  H     -2.62202369      4.17690643      1.24513166
  O     -4.37661764     -0.16745715      4.25028191
  H     -6.93159856      2.62875705      5.85737874
  H     -1.24913022      3.62161910      0.78997774
  O     -4.39652033      3.09267429     -0.93378346
  H     -5.69122512      1.91597088      6.41189036
  H     -8.95868781      4.11020232      2.83366485
  O    -10.66756279     -0.76049152      3.06956074
  H     -5.28742975      4.55186849     -0.50784850
  H    -10.12552901      3.10511353      2.70696732
  O     -6.22099189     -2.03989154      0.62447519
  H     -5.81507895      5.94668547     -0.91869858
  H     -5.11638350     -2.47726424      2.17666949
  O     -3.82334298      1.58401781      2.21349135
  H     -9.56098758      1.62109824      1.26399267
  H     -5.46681534     -3.01142219      3.57983182
  O     -7.01301922      0.50949195      3.46760796
  H    -10.98099352      1.75275140      0.66936753
  H     -9.17092459      1.40822040      5.46344949
  O     -5.25806682      0.05337663      6.80484363
  H     -9.23610081     -0.64772138      6.04550295
  H     -9.00187218      2.70518304      4.60123181
  O     -2.17438744      3.40368921      0.85537457
  H    -10.65598851     -0.31274087      6.56050073
  H     -4.17252278      4.94853602      2.61987729
  O     -9.70089416      3.72093975      3.31591485
  H     -4.40184949     -1.05039109      3.85135818
  H     -4.36204219      5.56910609      1.22300470
  O     -4.76124176     -2.59890708      3.06509117
  H     -4.01136027      0.44262119      3.59549398
  H     -5.40490923      3.42497140      4.46514974
  O     -8.54011847      2.07935734      5.17884942
  H     -3.55345785      3.15227784     -0.46653070
  H     -4.76208195      2.92767840      3.13527241
  O     -3.69812522      5.38721551      1.89916495
  H     -4.74461917      2.21319179     -0.74134893
  H     -7.49694623      1.31330443      1.96905850
  O     -5.19050720      3.68318041      3.55731734
  H    -10.72426306      0.07452796      2.58827978
  H     -7.62930218      2.71830692      1.32857629
  O     -7.77095751      1.77526541      1.16076804
  H    -10.55376963     -0.53694153      4.00242115
  H     -6.61571729      4.17821762      2.56495856
  O     -7.30864731      4.38103624      1.91741237
  H     -7.00176522     -1.96888394      1.19920345
  H     -6.87378350      4.82750223      1.18081037
          69
 Energy    -250.40953637425909     
  O     14.17931403     12.72068322     -9.00522670
  H     14.20712367     11.82022190     -9.37099936
  H     12.59966603     11.71635382    -12.66386616
  O     13.64896972     11.97262051    -16.61306297
  H     13.79316474     12.65086898     -8.13569361
  H     13.27092571     14.62167753    -15.02537335
  O     17.29289578     10.44379213    -10.96147481
  H     13.14857866     12.68684703    -16.20126381
  H     12.01454349     14.95467569    -15.86468893
  O     15.12885849     16.51714668    -11.87517982
  H     13.56872234     11.19640574    -16.04385540
  H     11.80427418     13.57912323    -13.70674263
  O     14.02051471      9.76409943    -14.88442126
  H     17.56307289     10.82427363    -11.81017489
  H     12.09084283     13.76096912    -12.19139313
  O     17.56874702      7.69961653    -11.48743126
  H     17.47783717      9.49867202    -11.02553396
  H     19.83425260     14.54938373    -14.15223933
  O     16.90346854      7.65079930    -14.11859346
  H     16.02586696     16.15248260    -11.76807658
  H     18.35819197     14.32643026    -14.56397456
  O     15.40229685     12.81790341    -12.77799675
  H     15.16090495     17.41809024    -11.56519123
  H     15.28839262     12.14780603    -17.11571510
  O     14.53531463     10.29938211    -10.27429610
  H     14.96652298      9.90554099    -15.03318706
  H     16.32693383     12.14697101    -18.26264686
  O     16.76465518     10.16300393    -15.40186207
  H     13.92465907      8.84661862    -14.59886983
  H     14.22718397      7.31666891    -12.83463423
  O     17.09850222     14.41807175    -15.74553086
  H     18.23565730      7.04427983    -11.30139915
  H     13.55258169      6.40056280    -13.88255575
  O     13.28968623     11.04429769    -12.54975503
  H     17.41320240      7.67820189    -12.44923670
  H     18.08509689     14.99890407    -12.34060557
  O     12.45009655     14.25010573    -15.39127628
  H     15.97602760      7.38341628    -14.12910863
  H     17.38270662     14.58143980    -11.02650677
  O     11.67019315     13.17714391    -12.84146582
  H     16.95790893      8.44499925    -14.66574778
  H     16.92365442     12.09671492    -13.27986321
  O     18.99924683     14.21377405    -13.83780016
  H     15.72854969     13.02073967    -11.89217635
  H     18.40210509     12.46531140    -13.51213975
  O     16.24245996     12.18318463    -17.31338902
  H     14.64364219     12.22641314    -12.68757699
  H     13.79413789     15.26506002    -11.17824252
  O     14.08763973      7.18408883    -13.78923460
  H     15.47053071     10.34005054    -10.51861126
  H     13.46008498     14.06324461    -10.25756043
  O     17.55217660     15.33415943    -11.61057783
  H     14.02080503     10.51068683    -11.07191346
  H     15.68612381      7.52171527    -11.15296690
  O     17.81149838     11.71446701    -13.38130366
  H     17.22805610     10.65369595    -14.70752472
  H     14.51135749      8.42234199    -10.73594467
  O     13.10164745     14.63669400    -10.94404154
  H     16.68296430     10.77045575    -16.14700687
  H     15.88619339     13.04798631     -9.65428713
  O     14.72287060      7.58741037    -11.17029859
  H     16.28725575     14.74546939    -15.33539897
  H     17.01165284     12.19019159    -10.30199605
  O     16.66486273     13.08908388    -10.22455835
  H     16.84303529     13.67541440    -16.30571360
  H     14.84544734     15.73601539    -13.55824229
  O     14.79806600     15.05423472    -14.23896628
  H     13.43984252     10.58975775    -13.38826794
  H     14.99367263     14.22372742    -13.77487214
          69
 Energy    -250.40911178656148     
  O     14.91667292     12.78516094     -9.93013236
  H     15.65568752     12.36857301     -9.47140061
  H     13.25578020     12.94488496    -13.49005922
  O     15.28042341     13.12375111    -16.77076882
  H     14.32237631     12.06886298    -10.19392022
  H     15.08449451     14.68712747    -16.05531942
  O     16.36738166      9.44940165    -11.01943762
  H     16.17711404     12.80032850    -16.92070461
  H     14.78345302     16.19307205    -16.24687749
  O     17.50522814     15.71696981    -11.18645574
  H     14.75247521     12.34811638    -16.54405473
  H     13.71167333     15.01073624    -12.61391175
  O     14.16390652     10.72082043    -15.78178640
  H     16.91038366      9.81056872    -11.73652959
  H     13.82164429     15.09072135    -14.15817038
  O     15.58925316      6.98422220    -12.09379439
  H     16.14066599      8.54648938    -11.27444261
  H     21.04603243     12.01347362    -12.40002648
  O     15.63995593      7.49769417    -14.75477416
  H     17.41514168     15.56246191    -12.14254144
  H     19.71426208     12.59888010    -11.87120129
  O     15.98249173     12.70225778    -12.58283797
  H     17.91203642     16.57438844    -11.08499292
  H     18.47447521     12.09544797    -17.76713181
  O     13.69835502     10.53736227    -11.10770508
  H     15.08443739     10.44538971    -15.65997182
  H     18.37850446     12.54236513    -16.28839547
  O     16.84068171      9.93661695    -15.48088232
  H     13.62999268      9.92441087    -15.66863202
  H     12.83865490      8.26726913    -14.14639258
  O     19.08126644     13.43380294    -14.98138159
  H     15.80800432      6.06982066    -11.93591653
  H     12.14228782      7.83556296    -15.45750429
  O     13.45992877     11.99835766    -13.41933602
  H     15.67832030      7.13249971    -13.05303237
  H     16.92359913     10.58578323     -9.73754258
  O     15.03165268     15.54432537    -15.59420398
  H     16.15075978      8.24428489    -15.09433894
  H     17.41397479     10.90828939     -8.30815601
  O     13.31176134     14.70092146    -13.43987130
  H     14.72349170      7.66828526    -15.00531023
  H     18.26529449     12.65238885    -10.02147825
  O     20.13826219     12.17637083    -12.64047698
  H     15.14513569     12.47155036    -13.00872589
  H     18.33297141     14.07973452    -10.64321617
  O     17.92239726     12.04547891    -16.99148946
  H     15.76044584     12.86663039    -11.65866515
  H     17.17245656     11.45846869    -12.88404860
  O     12.90447238      8.29659088    -15.11759844
  H     14.60110233     10.19143529    -11.13575146
  H     18.67204335     11.06415905    -12.91372758
  O     17.18899903     11.30875979     -9.14461381
  H     13.54678966     11.03005610    -11.93149703
  H     14.56502559     14.54209519    -10.49723240
  O     18.81409098     13.24907554    -10.54318028
  H     17.20396868     10.15081020    -14.60929465
  H     15.53553381     15.60700152    -11.00890050
  O     17.78024704     10.70984486    -13.00454269
  H     17.25646518     10.54801494    -16.10107999
  H     13.01532083      8.93323978    -11.87815880
  O     14.60655730     15.35358334    -11.02168947
  H     18.44378978     14.05515698    -14.60409008
  H     13.76326015      7.62907519    -12.19663187
  O     12.95957748      8.12262711    -12.39996302
  H     19.53608899     13.03226517    -14.23217870
  H     16.65285806     14.15402415    -13.38291303
  O     17.05358236     14.94754489    -13.77298761
  H     13.59608182     11.62521760    -14.29860639
  H     16.41184985     15.29292928    -14.40608077
          69
 Energy    -250.40853065844613     
  O     -2.76215469      0.62931114      1.07801264
  H     -3.14505579      1.44296787      0.75610201
  H      4.31130716     -1.52710843      2.79891288
  O     -2.16123543     -2.20860602      7.92377060
  H     -1.82620612      0.64740385      0.82505193
  H     -0.40925122     -1.95054488      2.83272261
  O      1.37499130      0.41135652      2.62057196
  H     -2.81300141     -1.74511496      7.36741695
  H      0.51212122     -2.75078902      1.86316698
  O     -3.21315285     -0.48894987      3.64339003
  H     -2.22052545     -1.82663626      8.79504365
  H     -1.43752399     -4.00494987      2.58649805
  O      2.31900984     -3.46288221      4.83658405
  H      2.13668423     -0.16822959      2.73609426
  H     -1.97329746     -5.28668282      1.91483543
  O     -3.16821067     -4.66502665      6.81203471
  H      0.73109006      0.13193910      3.28822035
  H      1.75307545     -2.56010392      0.18638788
  O     -0.14144601     -2.76955169      6.07184245
  H     -3.10594135      0.00231978      2.82041134
  H      1.95706690     -3.92208336      0.96155344
  O      1.55649917     -5.94829342      4.08638147
  H     -3.54926741     -1.36411173      3.39753814
  H     -3.52311091     -3.65655263      2.85427480
  O     -5.28654222     -3.59713113      5.48924010
  H      1.59727534     -3.08000073      5.35124593
  H     -4.70345136     -3.22963710      3.76101553
  O      1.32671063     -5.55902398      1.24192872
  H      2.67990305     -2.76286787      4.28073451
  H      0.43727249     -0.83790275     -0.58104326
  O     -1.36339334     -5.80138032      0.19710874
  H     -2.80870970     -3.93155687      7.32615747
  H     -0.13525132     -2.19515387     -1.01259008
  O      3.36993054     -1.59704756      2.93588442
  H     -2.42553063     -5.03237965      6.31506831
  H     -1.47614237     -0.61548483      4.12437364
  O     -0.39850005     -2.64581549      2.16498877
  H     -0.72237298     -2.53532655      6.80646527
  H     -0.39122521     -1.41450213      4.91973536
  O     -2.07070988     -4.73375786      2.69843492
  H     -0.44509114     -3.62920527      5.74705137
  H      0.31816761      1.52488740     -0.09594125
  O      2.14419451     -2.97115253      0.97088850
  H      1.89587656     -5.06778161      4.33110328
  H      0.48293064      0.65784503      1.17146148
  O     -4.21980633     -2.99326264      2.95971614
  H      2.19959423     -6.58280582      4.39299737
  H     -1.20366960     -2.86488942      0.53240460
  O      0.68251065     -1.68102418     -0.98092289
  H     -4.56051552     -4.05723925      5.94781474
  H     -2.52865553     -2.74272297     -0.24519325
  O     -0.52549489     -0.76188606      4.21921093
  H     -6.09847062     -3.99776809      5.78790268
  H     -3.78238955     -0.73027282      5.42924017
  O     -0.05612915      0.77977072      0.36855902
  H      0.44481078     -5.75616203      0.90671659
  H     -4.59145175     -1.88827270      6.03991099
  O     -1.63800939     -3.11713785     -0.29695052
  H      1.32717115     -5.76965132      2.18405712
  H     -1.46230954     -5.16569486      4.31612645
  O     -4.03015197     -1.13678627      6.26935763
  H     -1.47820180     -4.88512964     -0.11057289
  H     -0.12503081     -5.66168041      4.89079677
  O     -0.97922130     -5.29295579      5.14640336
  H     -1.67575823     -6.36821520     -0.50301437
  H     -4.24763703     -2.27865418      1.18271606
  O     -4.00739005     -1.88594433      0.33295919
  H      3.01377892     -2.10835431      2.18616180
  H     -3.65852538     -1.00914199      0.53405188
          69
 Energy    -250.40812809250454     
  O     15.67031865      9.81878998     -9.63143730
  H     16.25246790     10.58892454     -9.62139082
  H      9.21454458      6.18269258    -14.31016508
  O     17.66110710     11.61468432    -14.18263872
  H     16.01106054      9.22430551    -10.31515871
  H     10.99397962      8.60133698     -9.63267499
  O     11.10384510     11.56766340    -14.03971991
  H     17.99692358     11.06652223    -13.45070102
  H     11.50010851      9.93126308    -10.20087616
  O     10.41973051      9.18843441    -12.89373091
  H     18.41407670     11.85889179    -14.71375627
  H     14.07530827      5.87199621    -10.69923882
  O     13.66949892     11.98008589    -12.95216589
  H     10.32958061     12.10824594    -14.17272358
  H     13.15175952      6.87373185    -11.45656650
  O     15.17720019     10.42743449    -14.72377542
  H     10.79997340     10.73798369    -13.63203764
  H     11.39857488      6.47345870     -8.25954207
  O     17.35804564     12.00100372    -10.02895034
  H     10.37542212      9.18658521    -11.92389972
  H     12.24849469      6.63682058     -9.53886701
  O     16.70675108      8.00892379    -11.51728432
  H     10.12001939      8.33673078    -13.23528641
  H     16.67932218     12.73295306    -12.95294625
  O     12.02586761      5.06080685    -13.35569972
  H     14.18507376     11.41247117    -13.54443771
  H     15.24141883     12.86713309    -12.41655297
  O     18.42942473     10.19482321    -11.99979767
  H     12.77252751     11.99609620    -13.30806583
  H     13.55366991     10.26116678    -15.68562982
  O     13.06661134      8.44495413    -12.31995626
  H     15.28192029      9.49455504    -14.49054096
  H     12.08953653     10.66367108    -15.42825056
  O      9.97438368      6.70205583    -14.06067687
  H     16.05054440     10.83371184    -14.66513749
  H     16.25017092      5.17420764     -9.46438472
  O     10.72303951      9.35445011    -10.17003589
  H     17.75866304     12.68038501     -9.49389351
  H     15.43482052      6.46398992     -9.19012080
  O     13.16488692      6.03004262    -10.97727876
  H     16.90147266     12.45135892    -10.76276696
  H     13.30499365      6.35540974    -15.65823265
  O     11.88034736      7.11467043     -8.77738147
  H     16.52711172      7.21062354    -11.00629617
  H     14.26870461      5.21434664    -16.06844096
  O     16.16260019     13.07398421    -12.21212551
  H     16.26603702      7.89831921    -12.37203387
  H     12.19982695      8.36180809    -16.06133155
  O     12.64591528     10.09070182    -15.96774447
  H     12.74631163      5.17485329    -13.98805544
  H     11.22945095      7.29084886    -15.48457892
  O     15.78110120      5.88438329     -9.89387157
  H     12.40336250      5.23036960    -12.48304876
  H     13.70742013      7.62534933     -8.24337724
  O     14.00122148      5.75428537    -15.32990491
  H     18.21700145     10.77033488    -11.25466596
  H     14.97042756      8.49161898     -8.51232872
  O     12.01370190      7.41118899    -16.02856771
  H     17.96367920      9.36356563    -11.83891982
  H     14.42180434      8.04624359    -13.33557656
  O     14.66823883      7.64104536     -8.16447142
  H     13.19898155      9.15029022    -11.67263402
  H     14.95327654      7.04644485    -14.38878249
  O     15.21482007      7.79262542    -13.83683640
  H     12.19618724      8.60814227    -12.70147899
  H     13.37693873     11.19121031    -11.34224653
  O     13.20592245     10.61014751    -10.58748827
  H     10.66202445      6.07253245    -13.77929686
  H     14.05518291     10.42214129    -10.16596951
          69
 Energy    -250.40773842224988     
  O     15.57487301      8.53348178    -14.96569891
  H     16.26178643      7.86165604    -14.85839364
  H     14.02352996     12.50791681    -11.79658937
  O     15.23814445      9.76910314     -8.25633426
  H     14.72223859      8.09958193    -14.82108346
  H     16.86433332      3.29650357    -11.38906628
  O     15.96946916     11.26061533    -15.26457472
  H     15.43007524      9.85112808     -7.32643073
  H     16.81082159      4.81217387    -11.67197908
  O     12.87604118     10.65930695     -9.62015649
  H     15.72701471     10.48035225     -8.70999641
  H     15.31787895      8.39979991     -9.50190839
  O     13.21656944      7.27292691    -14.26616731
  H     15.80878284     10.31118074    -15.37350332
  H     15.39297755      8.50347647    -11.04799452
  O     17.50041440      6.68657485    -14.29020201
  H     15.24842861     11.57429853    -14.70645398
  H     16.30170693      4.03181101    -13.82128627
  O     19.55730405      8.56971754    -14.12262110
  H     13.21677738     11.46719917    -10.02235972
  H     15.30817785      4.36509616    -14.94809855
  O     17.44272033      6.48990361    -11.44034038
  H     13.59277252     10.31468878     -9.07487753
  H     12.78549223      3.91780039    -15.34234814
  O     11.25764636      8.98710037    -11.00849120
  H     13.19810577      7.15208582    -13.30600289
  H     13.37590183      4.34057182    -13.97420728
  O     11.89098444      9.75585352    -13.70645718
  H     13.20444949      6.38623160    -14.64648881
  H     15.72573369      9.19196139    -13.28101323
  O     13.94738858     11.51810365    -13.23532725
  H     17.44293757      6.65308067    -13.32653722
  H     16.54641769      9.96550064    -12.18774864
  O     14.12380680     12.89770779    -10.91056039
  H     17.14635090      5.84360167    -14.60919563
  H     19.04206530     11.90688034    -14.91295869
  O     16.38532741      3.96377217    -11.87506814
  H     18.90012310      7.90648844    -14.37757335
  H     17.62866268     11.30151377    -14.76036936
  O     15.33868696      7.87301435    -10.30911650
  H     19.20862212      9.43206565    -14.37748806
  H     18.35205972     11.02221706    -12.60162988
  O     16.24979521      4.29920395    -14.74756028
  H     18.22455809      7.04404857    -11.32923208
  H     18.66937823      9.96495395    -11.50408076
  O     13.38661637      4.53239974    -14.93014013
  H     16.71500648      6.93398731    -10.98032526
  H     12.34557615      7.51189227    -11.27866023
  O     15.69545460      9.55239580    -12.38405474
  H     10.38777964      9.02422911    -10.61955041
  H     13.82621192      7.15303169    -10.99610793
  O     18.54304665     11.25406728    -14.42900307
  H     11.81876543      9.59880344    -10.49923638
  H     20.49530393      8.22030827    -11.09681930
  O     18.12290705     10.73489365    -11.70690949
  H     11.57509002      9.52764945    -12.82316956
  H     19.69364593      8.38123123    -12.41350723
  O     13.03825630      6.87030369    -11.48050374
  H     12.24129525      8.93540492    -14.07524123
  H     15.72596223     12.22677914    -10.11832621
  O     19.61264994      8.32275261    -11.44283525
  H     14.55059961     10.85223567    -12.87075215
  H     17.08060775     11.50342998    -10.34498729
  O     16.42996489     11.73954484     -9.67162080
  H     13.15062666     11.02953673    -13.48851011
  H     14.47846574      4.09572976    -12.00961011
  O     13.55019001      4.22239295    -12.24082209
  H     13.83289325     13.80361968    -10.97361387
  H     13.29020471      5.07765831    -11.87061257
          69
 Energy    -250.40728027310735     
  O     -2.52939652      2.95435675     -3.70898615
  H     -3.02474741      3.50121570     -3.07239690
  H     -4.20583221     -0.15987345      2.41980008
  O     -5.39684932      2.89214297      0.00382558
  H     -2.64885956      3.35796345     -4.56481732
  H     -0.50756614      1.03290945      2.19035048
  O     -2.92064655     -1.01559838      1.45488249
  H     -6.10750313      2.28762907      0.24359529
  H      0.44731792      2.20854749      2.43433357
  O     -0.05543116     -0.34222366     -1.38972323
  H     -4.60172439      2.33548124     -0.02299875
  H     -1.55753545      4.10731864      0.29484581
  O     -3.81023604      0.59412644     -2.70161519
  H     -3.21286381     -1.71325325      0.85347643
  H     -0.88129366      2.90965953      1.05950473
  O     -3.97098314     -2.79111493     -0.43244910
  H     -1.95600873     -1.04256679      1.50808894
  H      2.72289103     -0.51021124      0.79055681
  O     -2.19300819     -1.69525078     -2.40373533
  H     -0.15583185      0.55387408     -1.73303893
  H      3.28104156     -1.11358552      2.10281724
  O     -0.19989130      2.37444700     -2.18185929
  H     -0.74777931     -0.88881256     -1.78930856
  H      2.20543982      2.49346210      0.81329634
  O     -0.20317477     -0.58787710      1.35573320
  H     -3.46672509      1.31574644     -3.23766415
  H      2.39163804      1.37189566      1.84858225
  O      2.69637186     -0.22424039     -0.92886647
  H     -3.55122350      0.81372362     -1.79152212
  H     -2.84124660      2.60947090      4.62484841
  O     -6.83142416      0.66327152      0.91839908
  H     -4.66793488     -2.17483776     -0.72438995
  H     -2.06317922      2.30166809      3.33174501
  O     -4.83693700      0.48492347      2.77162804
  H     -4.35819117     -3.66197927     -0.42198097
  H     -6.14731353     -0.34424348     -0.56659045
  O     -0.47637358      1.93428091      2.54133486
  H     -2.71864007     -2.20946928     -1.78041153
  H     -5.27238031     -0.33738404     -1.85348718
  O     -1.17267666      3.22745864      0.19580603
  H     -2.76128129     -0.96105985     -2.67484426
  H     -2.43976821      1.92885927      0.00800843
  O      2.59700967     -0.54751552      1.75659299
  H     -0.52187027      2.72465199     -1.33480010
  H     -3.04782519      0.54240110      0.44782600
  O      2.11550751      2.29281241      1.75236103
  H     -0.89924483      2.54485108     -2.82312665
  H     -3.15006283      5.31726234      1.00236598
  O     -2.94746094      2.49301894      3.68283545
  H     -0.18680656     -0.49469090      0.39017120
  H     -2.35795605      6.57400414      0.55875718
  O     -5.74287346     -0.91073774     -1.23459109
  H      0.71347727     -0.70650460      1.63084624
  H     -3.42244449      4.95278610     -1.22197792
  O     -3.15838129      1.30150591     -0.13701413
  H      2.77514004      0.72698884     -1.07183377
  H     -4.57086679      3.93976694     -1.34387726
  O     -2.51671057      5.65953628      0.34398625
  H      1.79371619     -0.44202483     -1.20350913
  H     -3.81597128      3.80350895      2.63091695
  O     -3.89617039      4.40390313     -1.85728470
  H     -7.67180818      0.47798000      1.32876216
  H     -4.75591122      3.93138411      1.40585079
  O     -4.21380064      4.44016724      2.02514151
  H     -6.15773761      0.59898749      1.61939171
  H      1.51698755      2.56935246     -1.60795645
  O      2.37333327      2.61339112     -1.15290270
  H     -4.29430211      1.19649552      3.12762960
  H      2.88407586      3.28204576     -1.60348630
          69
 Energy    -250.40642313843847     
  O     12.67272844     13.13602716    -15.11685487
  H     11.90691742     13.56408013    -15.49078293
  H     16.55657031     10.38772982    -13.97351270
  O     17.63832733      6.57501495    -13.59875173
  H     12.83298381     12.33554928    -15.64497370
  H     15.77410310      9.00916356    -18.45460931
  O     19.05693409     10.59729526    -12.38347970
  H     16.80790671      6.08729645    -13.54581469
  H     16.99368708      9.19476178    -19.38955913
  O     15.04840475      5.33245169    -13.52549988
  H     17.63973842      7.00681068    -14.46227929
  H     14.64110091     11.04001787    -12.73536248
  O     15.30519367     10.95094109     -9.19986348
  H     18.98134793      9.70946846    -12.01561409
  H     15.36992875      9.75128737    -12.20153870
  O     14.01960521      6.85118959    -11.54390772
  H     18.51484012     11.17081491    -11.82008440
  H     14.35608079     11.04209812    -16.50427714
  O     13.63424882     12.59596358    -12.50476944
  H     14.65224807      5.84867318    -12.80027573
  H     13.28362897     10.19405629    -15.73748350
  O     14.11537075      8.55124374    -18.06816172
  H     14.89649272      4.41308984    -13.32420120
  H     19.16970310      7.41610913    -10.97767667
  O     15.91105401      8.73833043    -10.78434669
  H     14.40630691     10.93088813     -9.57441133
  H     18.23819028      7.43637459    -12.21171517
  O     17.23011958      8.10053408    -15.95149240
  H     15.21146377     11.13753480     -8.26962841
  H     10.93719695      8.49214359    -12.14177848
  O     14.66922701      6.99363370    -15.75192472
  H     13.21782333      7.37909907    -11.62256189
  H     12.22809810      8.77383459    -12.94199325
  O     17.36686528     10.43266713    -14.50179241
  H     14.69455684      7.44945012    -11.19257451
  H     16.24294587     15.00395414    -12.46639767
  O     16.70023433      9.30822182    -18.48973134
  H     14.38485549     13.20134470    -12.43286629
  H     15.91956268     14.00947344    -13.60267908
  O     15.09526711     10.22941614    -12.99557596
  H     13.20606119     12.78238591    -13.34963179
  H     16.60834916     11.85986411    -10.32464300
  O     13.40761532     10.85428460    -16.43549048
  H     14.16510243      7.88580507    -17.36845976
  H     16.85845300     12.83105420    -11.50282053
  O     18.50405015      7.93682474    -11.41924018
  H     13.68472702      9.32022912    -17.67638888
  H     16.64927692     11.17710047    -15.92840382
  O     11.86602626      8.68843741    -12.04412423
  H     15.83442815      9.42072855    -10.10594294
  H     16.40773225     10.88631127    -17.42614410
  O     15.97754853     14.10326626    -12.63546219
  H     16.84317615      8.51076006    -10.89854288
  H     13.00044388     11.57124158    -11.11574006
  O     17.28456757     12.18189997    -10.93059941
  H     17.33993609      8.89604882    -15.40760224
  H     12.52102660     10.11965773    -10.90594398
  O     16.14168037     11.46604127    -16.70376845
  H     17.22518931      8.40382144    -16.86622900
  H     14.50768221     13.74616060    -15.31216176
  O     12.89159722     10.88119041    -10.44557238
  H     14.72395917      6.30461385    -15.07782606
  H     15.79776638     13.12968037    -15.87842487
  O     15.46891574     13.82573918    -15.29536034
  H     15.55722351      7.37639692    -15.81629252
  H     13.62590926      8.19024368    -14.88512312
  O     13.21403793      8.93929331    -14.43395777
  H     18.09133914     10.54767929    -13.87170253
  H     13.91758431      9.36915779    -13.91934708
          69
 Energy    -250.40638363202757     
  O     11.58275463      9.62981049    -10.83787188
  H     11.48956844     10.38057648    -11.43858174
  H     11.08170614     10.33203958    -15.87429899
  O     15.12664558     10.34066199    -12.95242597
  H     12.12989247      9.92494307    -10.10003981
  H     16.09832616     13.40181906    -14.49039457
  O     17.43217641      7.89428547    -13.19932893
  H     16.07680865     10.44211530    -12.80621381
  H     15.06272827     12.83597202    -15.47416362
  O     11.56628904     11.49189986    -12.94929757
  H     14.69975316     11.15660917    -12.66856480
  H     14.29343317     11.86053067     -9.37581229
  O     12.59966073     14.26151988    -15.78214669
  H     17.73042171      8.75558669    -12.87603772
  H     14.58317012     12.69597552    -10.64262209
  O     14.92747852     11.64598703    -16.84712834
  H     16.62501927      7.68372704    -12.71258788
  H     16.75209879     11.28139335    -16.66158294
  O     15.48567828      8.89876015     -9.32087063
  H     11.02858678     12.12266511    -13.44402331
  H     17.55689125     10.06344018    -16.16644559
  O     13.93434279     12.77501379    -12.34602726
  H     11.73119701     10.74066562    -13.53690347
  H     17.82511629     11.43977815     -9.02948717
  O     14.57960165      9.31328509    -15.42311128
  H     12.62800581     13.77333744    -16.61529328
  H     16.48262330     11.67406147     -9.76435422
  O     17.93524001     12.75362789    -14.23408799
  H     13.48207068     14.19318267    -15.39952215
  H     11.92200870      8.54978063    -13.92051146
  O     13.29573248     10.37859154     -8.71305787
  H     14.15748722     11.89477592    -17.37156706
  H     12.84123915      9.19249083    -14.98356317
  O     10.78785233     11.05594344    -16.44213420
  H     14.71710584     10.80752352    -16.40943391
  H     17.27997741      8.03503722    -14.92061285
  O     15.17245515     13.46994904    -14.74951575
  H     16.20339258      9.52066400     -9.48612117
  H     17.50219987      7.47648003    -16.34617974
  O     14.94165701     12.45199613     -9.77803574
  H     15.33581563      8.41627195    -10.14539169
  H     12.17656332     12.53167601    -18.88904601
  O     17.60325410     11.01962933    -16.28372196
  H     13.05730964     12.41424224    -12.54013909
  H     11.88608889     11.88625880    -17.51177257
  O     17.29772500     11.13918851     -9.76474630
  H     14.30714168     13.11565913    -13.17030366
  H     11.89152496      8.20251593    -11.75541722
  O     11.95517546      9.23859312    -14.59538601
  H     14.77559792      9.69770488    -14.55277629
  H     11.51873259      6.75046131    -12.14067435
  O     17.12234787      8.20732431    -15.86646821
  H     15.35809715      8.80173184    -15.67343395
  H     17.75609170     10.83189608    -11.49114165
  O     12.51851442     12.44029649    -18.00410196
  H     17.88748584     12.13288597    -14.98513692
  H     17.97680362     11.38769610    -12.94271835
  O     12.10286727      7.47013031    -12.36443316
  H     18.66293472     13.34386852    -14.41362627
  H      9.64726190     13.95230301    -14.61693450
  O     17.83463628     10.58586156    -12.42396173
  H     14.05662346      9.79294044     -8.87909481
  H     11.12066696     13.70654661    -15.02518616
  O     10.31685097     13.27708305    -14.68075112
  H     13.05980391     10.26961271     -7.79537798
  H     14.91217149      8.74305121    -12.20105359
  O     14.89974606      7.83397901    -11.86102477
  H     10.46100590     11.74783200    -15.85337811
  H     14.00568400      7.51583061    -12.02676989
          69
 Energy    -250.40620312396624     
  O     12.32496076     11.99636975    -15.25160497
  H     11.60347564     11.40990719    -14.97800115
  H     18.95150550      9.98395620    -12.84919136
  O     15.41290826      7.30112845    -13.37545110
  H     12.89074806     12.07453262    -14.47610652
  H     16.99373787     10.64252377    -16.52233287
  O     16.13132480     11.02155723    -11.36660026
  H     15.23165902      8.13562222    -13.83670335
  H     17.98483944      9.77738897    -15.67617535
  O     13.18148873      8.66834630    -16.78335235
  H     15.97539548      7.53096555    -12.62384395
  H     15.74488604      9.93447766    -15.09513261
  O     12.28890769      9.78186074     -9.00075702
  H     15.31728868     11.23615243    -11.84637136
  H     14.32507287      9.37090354    -15.44647776
  O     12.76095242      7.30562772    -12.54082733
  H     16.85518631     11.35682591    -11.90815597
  H     10.68616255      9.24184356    -14.53757004
  O     13.88863997     11.42432498    -12.91078302
  H     13.06179865      9.54310425    -17.17800852
  H     10.83725853     10.13609117    -13.30443165
  O     16.70397195      6.75293830    -15.82413754
  H     13.88862240      8.22520104    -17.27190346
  H     15.91859207      6.87681466     -8.19924803
  O     13.15095208      7.14135842     -9.73206021
  H     11.84661638     10.14905173     -8.24056483
  H     14.80638945      7.27652553     -9.19895487
  O     19.05372273      8.26615580    -15.39372822
  H     13.22646283     10.03758183     -8.93324870
  H     12.03317381      7.87386594    -15.68120885
  O     15.43832414      7.63902850    -18.02963451
  H     12.24195231      7.25817083    -13.35297449
  H     10.87450973      6.86673983    -15.50536239
  O     19.12681938      9.03585506    -12.81193574
  H     13.68752155      7.20618706    -12.80257826
  H     17.84525807     11.39456310    -14.12365393
  O     17.40266865     10.54802064    -15.64838073
  H     13.15754166     10.97199188    -12.46609461
  H     18.57465724     12.54368734    -13.39405832
  O     14.90778592      9.62867646    -14.72293905
  H     14.23519499     10.79706213    -13.56523356
  H     16.58962050      9.24736005    -11.30350586
  O     10.53475571     10.13994053    -14.22329607
  H     16.25692942      6.76055240    -14.96786915
  H     16.60512472      7.95795771    -10.43846778
  O     15.71169807      7.48375147     -8.90432261
  H     17.55917245      7.17791970    -15.68177932
  H     15.32754250      9.37847130     -8.78201283
  O     11.41501894      7.49591679    -15.03350848
  H     12.94658446      7.05827582    -10.67232585
  H     15.40955985     10.64857613     -9.65729326
  O     18.14632760     11.70291886    -13.25239303
  H     12.72011187      7.95198024     -9.43277077
  H     15.06667358     10.85741677    -17.89683629
  O     16.90430484      8.33145527    -11.27640712
  H     19.93379158      8.08586602    -15.71294310
  H     15.83029277      9.52928169    -18.09138081
  O     14.95979734     10.26394175     -8.89389749
  H     19.13377880      8.45971650    -14.44194368
  H     11.91380155      9.91339412    -10.80501478
  O     15.95221673     10.47559870    -17.94380583
  H     15.90093062      7.28369867    -17.24862885
  H     12.21987614      8.98657015    -12.01144909
  O     11.89465980      9.86541757    -11.76817867
  H     15.58996904      7.02479875    -18.74252300
  H     12.91908652     11.63131510    -16.81105570
  O     13.21484808     11.30614672    -17.68197027
  H     18.45879988      8.66939197    -12.21614946
  H     12.74152322     11.81267970    -18.33622857
          69
 Energy    -250.40427668053917     
  O     10.16100734     10.51622146    -10.91351772
  H     10.87817770     10.77214092    -10.30628152
  H     12.93045957     10.59499059     -9.11814355
  O     14.60065486     10.86357786    -12.50965585
  H      9.38669930     10.36753348    -10.37751997
  H     11.60344239     11.49590186    -17.63247112
  O     17.10438433     13.54960982    -13.74467604
  H     14.39115510     10.03216673    -12.06526354
  H     10.33902599     10.76374124    -18.14087249
  O     15.81836725      7.91739471    -13.60100045
  H     15.50540667     11.10211719    -12.27208438
  H     13.98386306     13.71627784    -13.98862533
  O     10.67045089     11.91476021    -13.29320911
  H     17.48474224     13.00298950    -14.44235853
  H     13.86007073     14.39524159    -15.37148656
  O     12.45548412     14.85222235    -16.50533432
  H     16.24764685     13.84551570    -14.07883044
  H     18.81139394     11.46030009    -16.10324131
  O     15.34681839     11.91797088    -16.48529815
  H     15.27816928      8.37310468    -14.26122539
  H     18.06588729     10.78924958    -14.93051244
  O     14.46372379      9.49349831     -8.99021768
  H     16.64243300      8.41567517    -13.56660032
  H     13.40485520     13.53951569    -10.86937743
  O     13.06622375     13.07713175    -12.55159402
  H     10.37069945     11.51328579    -12.46846440
  H     13.49391247     14.53818556     -9.69239848
  O     14.27637445      9.80302937    -15.03897203
  H     10.98122714     11.18700235    -13.85334329
  H     15.47885576     11.10016205     -9.24802184
  O     18.16923973      9.65959658    -13.47326013
  H     12.15484295     15.70111914    -16.81807154
  H     15.18068578     12.57611515     -9.57349824
  O     12.21180820     11.21353971     -9.29653479
  H     11.67119122     14.38367078    -16.16614866
  H     12.48503415      9.75986239    -15.02128175
  O     10.77683567     11.06503943    -17.34939403
  H     16.28198501     11.75845731    -16.31295737
  H     11.18698242     10.12119021    -15.78186249
  O     14.48785875     13.96790956    -14.77521018
  H     15.06510629     12.61589214    -15.87421812
  H     12.87112724     13.33413981    -17.62456757
  O     17.99886441     11.48496485    -15.60267420
  H     14.62206514      8.85090002     -8.30331078
  H     13.88817582     12.18194389    -17.62601719
  O     13.60883169     13.61970956     -9.92230109
  H     14.38010949      8.99722496     -9.82284214
  H     11.05263548      9.11153640    -11.86570669
  O     15.89864237     11.93785367     -9.48099329
  H     13.60491089     12.26929319    -12.50909538
  H     11.48856113      8.80589867    -13.31024230
  O     11.52251727      9.82057334    -14.92877259
  H     12.17749394     12.79305541    -12.80225280
  H     16.88126522     11.77956859    -10.94906207
  O     13.02932695     12.44996480    -17.97821509
  H     14.62793163     10.44244755    -15.67055684
  H     17.20518546     12.39698699    -12.37173577
  O     11.59660343      8.51639496    -12.39559767
  H     14.40272346     10.20227986    -14.16422061
  H     10.33292087     12.60213787    -16.27596394
  O     17.21197586     11.58698653    -11.83860208
  H     17.87305418     10.30808816    -12.80900465
  H     10.33388581     12.98360471    -14.78602992
  O     10.34858324     13.35876363    -15.67638825
  H     18.94265492      9.23302881    -13.11180345
  H     13.23266443      8.28113740    -11.75887197
  O     14.14403493      8.33743646    -11.42997542
  H     12.62709692     12.07579175     -9.41788731
  H     14.74257583      8.02603311    -12.12385239
          69
 Energy    -250.40392696200189     
  O     18.09223478      8.47703513    -13.53428739
  H     18.33255698      9.25495662    -13.01256131
  H     17.77749188     12.62960350    -14.31641610
  O     15.96857007     11.51836109    -10.57715581
  H     18.38274568      8.58665202    -14.45250179
  H     11.56804386     11.80967421    -13.95291491
  O     14.41470811     13.12832844    -14.17962953
  H     16.05325125     11.09579373     -9.71398322
  H     13.09350421     12.02606361    -14.09000295
  O     16.56920254      6.61003652    -17.02572170
  H     15.23535751     11.07777632    -11.03425959
  H     16.50940683      9.22905168    -13.98025002
  O     15.15920849      7.62506083     -9.15218709
  H     14.87464877     13.48081844    -13.40861441
  H     15.25757047      9.93588364    -13.36634824
  O     16.61574181      6.51113483    -12.38513061
  H     15.11023992     12.85046436    -14.79196181
  H     11.96259198      6.39060911    -14.52518325
  O     14.04709264     10.20437289    -11.97994023
  H     16.81625137      5.85777368    -17.55748117
  H     12.93450079      7.57960208    -14.71517566
  O     17.11214324     10.61952636    -17.94038685
  H     16.16369301      6.25500385    -16.21531185
  H     18.70471720      9.51543696    -10.41188420
  O     17.65540599      6.38492567     -9.78797498
  H     15.94227658      7.07704500     -9.29480013
  H     17.91013010      9.36236474     -9.09876419
  O     16.54039371     11.97528251    -15.56836165
  H     14.62362704      7.53602920     -9.94947720
  H     14.48462021      5.93716122    -14.60609928
  O     18.41459095      8.65205708    -16.23956578
  H     17.19779917      7.16803413    -12.79899254
  H     15.87108688      5.83529791    -13.93575588
  O     18.23734325     12.89584969    -13.50851385
  H     16.99891046      6.31093936    -11.52344000
  H     16.02299679     14.65835168    -11.34700471
  O     12.40053564     11.34677136    -13.98694882
  H     13.35640893     10.53413955    -12.56749167
  H     16.00649509     13.11380465    -11.37575623
  O     15.70794213      9.72200484    -14.19279268
  H     13.94465796      9.24747907    -11.87341494
  H     18.52445470     11.43699412    -12.46678304
  O     12.78857042      6.75628416    -14.21913974
  H     17.31466931     10.82414909    -18.84907754
  H     17.53345383     10.90483073    -11.42689327
  O     18.57687982      8.93524414     -9.65074915
  H     16.33013494     10.03913381    -17.95042692
  H     16.10483798     10.05551761     -7.34987336
  O     15.40176258      5.69008561    -14.76850493
  H     18.07094892      7.26622782     -9.76679226
  H     15.78811353      9.14407521     -8.55977107
  O     16.01247348     13.90799617    -11.93597099
  H     18.24645168      5.79017134     -9.33479002
  H     15.49075378      8.03985851    -17.58071077
  O     18.36057150     10.68702303    -11.87661857
  H     16.77265328     11.67199647    -16.45329164
  H     14.33309560      8.96635308    -17.14668342
  O     16.25385151      9.95496977     -8.28602245
  H     16.27450319     11.18157263    -15.07911871
  H     14.96439191      7.15655409    -12.00320517
  O     15.03286295      8.86263642    -17.80153678
  H     17.86386391      7.90759157    -16.51607475
  H     13.50437090      7.14421762    -12.50966021
  O     14.06673021      7.45625729    -11.79108558
  H     18.13363590      9.39290967    -16.78775030
  H     12.89119802      9.88554149    -15.12720552
  O     13.38586193      9.13126044    -15.46909955
  H     17.58467951     13.39310236    -13.00166656
  H     14.28392739      9.24057177    -15.11333736
          69
 Energy    -250.40327804982257     
  O     12.42904481     11.21494437    -15.26075271
  H     12.69993283     10.43585960    -15.76936555
  H     15.21963084      5.65570098    -14.38065291
  O     15.44665381      6.72814057    -12.99091089
  H     13.14199375     11.85271762    -15.36894575
  H     19.73475397      8.54393126    -13.16093836
  O     17.30999575     10.58333224    -11.47821939
  H     14.70570176      6.95359326    -12.41112247
  H     19.44805476      7.33708158    -14.07225593
  O     17.99759889      9.80532015    -15.45896255
  H     16.24477817      6.97980850    -12.50802925
  H     15.98481206     10.45851073    -17.75116226
  O     12.56842771      6.59127445    -15.66262073
  H     16.84009975     10.57382426    -10.63206963
  H     17.03088182     10.83682729    -16.69542956
  O     15.56825271     10.26656339     -9.38467531
  H     16.68718460     10.95199147    -12.12240952
  H     14.79071704      8.99885528    -15.25356206
  O     13.64459927      7.61209248    -11.09188285
  H     17.12914384      9.50394488    -15.14574108
  H     15.43683119      8.20044636    -14.07555572
  O     15.36494578     11.36527568    -13.24216527
  H     18.48683349     10.14090602    -14.69824930
  H     10.34556246     10.69134030    -12.96807891
  O     16.50925982      6.68260365    -17.14482291
  H     13.31833020      6.00282573    -15.52697123
  H     11.63619108     10.68834980    -13.82084375
  O     15.80793677      7.38478288     -9.26367999
  H     12.22396098      6.82104560    -14.78539009
  H     12.25071936      7.37760626    -12.38180546
  O     19.04824765      7.33129351    -15.98410922
  H     14.75949955     10.39232322     -9.89927731
  H     11.46972103      8.43155460    -13.17499985
  O     15.05324315      5.17834614    -15.21087494
  H     15.59276272      9.33067164     -9.15326409
  H     20.12912981     11.13642263    -12.94420193
  O     19.60488481      7.58673720    -13.15402935
  H     13.60384478      8.57593622    -11.18436989
  H     18.77301394     10.57179482    -12.46482474
  O     16.30848636     11.19947121    -17.22499386
  H     14.23981546      7.43394903    -10.35440061
  H     17.38913416      8.71676597    -11.45681821
  O     15.49631574      9.01156709    -14.59258581
  H     15.20101604     12.02380859    -13.92592243
  H     18.28651543      7.55180465    -11.94764102
  O     11.23163604     10.34140052    -13.00491384
  H     15.35420600     10.50835693    -13.69870220
  H     15.34816728      8.53052595    -19.41884153
  O     11.72285666      7.50048028    -13.17946171
  H     17.38166254      6.77458931    -16.74492270
  H     15.83382148      8.01463211    -18.04444897
  O     19.47254294     10.47084924    -13.13301305
  H     15.99144670      6.13433721    -16.54256392
  H     12.64528404     10.42986526    -11.80929357
  O     17.49686422      7.75631218    -11.42603774
  H     16.13835596      6.79723727     -8.58885486
  H     14.12527037     10.80939163    -11.99536882
  O     15.43011890      8.77483109    -18.50081295
  H     16.48269732      7.41648579     -9.96247608
  H     14.85316298     13.69788052    -15.92353960
  O     13.50930290     10.39109173    -11.37816781
  H     19.78713049      7.36398170    -16.58819881
  H     15.32084785     12.25516584    -16.21597413
  O     14.81249873     12.80441969    -15.59325986
  H     18.72163124      8.24341395    -15.89246861
  H     13.08617010      8.12536060    -16.29949867
  O     13.47367527      8.99164909    -16.50357464
  H     15.11195455      4.24761431    -15.00898354
  H     14.01232310      8.90827940    -17.29802842
          69
 Energy    -250.40316723747500     
  O     -6.41681409      3.90811600     -1.47909664
  H     -5.57332156      4.37175336     -1.52523500
  H     -8.13612407      0.05750597      2.31263176
  O     -2.65510171      3.35675394     -3.09835122
  H     -6.51737136      3.64607879     -0.55193759
  H     -5.62311261      0.47106429      2.83579353
  O     -6.33209355      2.88421652      1.07834215
  H     -3.22979923      2.58758804     -3.20019146
  H     -4.15245623      0.08627495      2.58098729
  O     -3.24749207     -0.65521494      1.13208573
  H     -1.76052523      3.00745892     -2.99198059
  H     -1.04575978      3.01393923      0.50095854
  O     -0.72526630     -0.61070921     -2.15113580
  H     -5.72972159      3.17560098      1.77376063
  H     -0.33209513      2.40986558     -0.74264752
  O     -4.30543399      1.06542153     -2.89735664
  H     -6.80345820      2.11329680      1.42124566
  H      2.79689395     -1.58148369      0.92632769
  O     -4.82858844     -1.93415589     -0.81760471
  H     -2.28332599     -0.66206387      1.07743564
  H      2.23872304     -0.97219136     -0.38302151
  O     -3.20848099     -1.41393116     -3.15644847
  H     -3.54070515      0.12306067      0.63255287
  H      1.53629864      2.23801689      0.38160850
  O     -0.21981828      2.09048073     -2.55518396
  H     -1.54763332     -0.98360304     -2.48952525
  H      2.47193069      1.01825595      0.49700569
  O     -0.53759557     -0.30324671      0.63526960
  H     -0.77243035     -0.60496689     -1.18483451
  H     -7.77068024      1.77221374     -3.39863965
  O      2.07776405     -0.85400106     -2.13206529
  H     -4.16984571      1.22038268     -1.94880880
  H     -6.84928702      2.49098598     -2.38465364
  O     -7.33261115      0.43408472      1.96577016
  H     -5.24566774      1.21877105     -3.05465721
  H     -4.29270944      3.69258935      3.86632925
  O     -4.71968253      0.64750576      3.12696384
  H     -4.26582862     -1.67383771     -0.07562623
  H     -4.37050114      2.35293098      3.09510926
  O     -0.32396959      2.43506267      0.22490466
  H     -4.26568515     -1.90496274     -1.59856073
  H     -6.28380958     -0.87476189     -0.74136786
  O      2.21964538     -0.90237576      0.58855970
  H     -3.61460594     -0.52922565     -3.15547270
  H     -7.05110638      0.32517349     -1.37383743
  O      2.44452005      1.94383568      0.22470852
  H     -3.40489788     -1.80959616     -4.00199511
  H     -3.43490364      2.33616490      0.03229206
  O     -7.02147821      1.63848264     -2.82482371
  H      0.73551848      2.14416171     -2.68140824
  H     -4.91483781      1.91945772      0.12454151
  O     -4.29148676      3.31926228      2.98911776
  H     -0.44091133      1.14806472     -2.51324793
  H     -3.17091015      3.78922643      1.56987557
  O     -7.00747608     -0.24532458     -0.60072057
  H     -0.49835833      0.66424617      0.59349927
  H     -3.06187267      4.41747880      0.12952663
  O     -4.05542121      1.63885791     -0.21309361
  H      0.36835723     -0.60970137      0.76230860
  H     -3.68422755      6.02076079     -1.76233611
  O     -2.62426368      3.84600444      0.77515859
  H      2.34589749      0.03309607     -2.40160655
  H     -3.36591013      4.53645238     -2.06492536
  O     -3.80080971      5.13482109     -1.42900753
  H      1.12319827     -0.89767485     -2.28343082
  H      2.63108034      2.01419352     -1.52256513
  O      2.59762288      1.95323289     -2.49447149
  H     -7.25186929      0.12386308      1.04394844
  H      3.34195282      2.44617842     -2.82825292
          69
 Energy    -250.40308892371337     
  O     10.51264271     10.40481691    -11.90075374
  H     10.10175200      9.93688708    -12.63943697
  H     16.05022282      6.44915606    -16.82511624
  O     13.68446129      7.17616148    -14.98373308
  H     11.28243626     10.85771480    -12.26572488
  H     17.89981240      7.66077574    -16.33805260
  O     16.98884656      9.72141114    -10.19323031
  H     14.09261383      6.81928399    -15.78181091
  H     17.63914154      6.71740463    -15.13781719
  O     18.06398642      9.49453682    -16.94392583
  H     14.33490467      7.77604898    -14.58140249
  H     15.86404027     11.88339579    -14.62690160
  O     12.02849453      9.38601825    -15.10557123
  H     16.13037929      9.94695997    -10.59081474
  H     15.31145326     13.31015284    -14.83139714
  O     15.91678374      7.07331140     -9.73713405
  H     17.13597760     10.34598560     -9.48679652
  H     15.12102655      9.18626369    -12.88849134
  O     13.27654339      6.02598803    -12.49798431
  H     18.69869628      9.71869892    -17.61875684
  H     16.00468632      9.46522348    -14.13214589
  O     14.53310568     10.02212990    -11.36346736
  H     17.19815258      9.40458314    -17.38569066
  H      9.98122882      8.62140944     -9.32218941
  O     15.62568461      9.13028428    -17.98753117
  H     12.53860253      8.56337452    -15.11452606
  H     10.56087231      9.20836724    -10.63330611
  O     15.86334764      5.13971237    -11.63516392
  H     11.12971216      9.15370434    -14.84425805
  H     11.37941238      6.30940343    -12.38513142
  O     17.23625856     10.73298418    -14.59655559
  H     16.41344832      7.89429577     -9.82833552
  H     10.46850164      7.14151638    -11.45456760
  O     15.15728187      6.38368616    -17.21086799
  H     14.98219291      7.32414855     -9.74879495
  H     18.37741118      8.46241823    -12.78180061
  O     17.59845894      6.77549271    -16.10169085
  H     13.37902048      6.35611717    -13.40271156
  H     18.11382777      9.53379835    -11.71410123
  O     15.04653065     12.40620169    -14.67821239
  H     14.10726303      5.59349751    -12.26577244
  H     16.68269890      7.53411685    -13.42390758
  O     15.43224756      8.80633477    -13.71908135
  H     14.03198902      9.29280479    -10.96953507
  H     16.99046368      6.17192968    -12.78009613
  O     10.59690320      8.44547315    -10.02800420
  H     13.92716720     10.53198285    -11.91762817
  H     13.09060586     10.36217920    -16.30807220
  O     10.49549470      6.68902641    -12.30706376
  H     15.32561795      8.22910582    -17.82826611
  H     14.19819887     11.41923256    -16.14134458
  O     18.53060162      9.39304159    -12.57354509
  H     14.94834481      9.72432304    -17.63054354
  H     12.36925647      8.00361134    -10.09473168
  O     17.38464711      6.87518761    -13.30744946
  H     16.10766310      4.29172427    -11.27325173
  H     13.23964510      7.20041138    -11.10533105
  O     13.80615485     10.81090711    -16.77697480
  H     15.94517014      5.78731844    -10.91129076
  H     13.58202790     11.77261841    -13.66359989
  O     13.27842930      7.80180868    -10.34695421
  H     17.78227395     10.38137613    -13.87615643
  H     12.62091117     10.57995542    -13.86458229
  O     12.90631796     11.24532022    -13.21973958
  H     17.58375011     10.37714445    -15.42574385
  H      8.72329593      8.42643992    -14.30602332
  O      9.58597137      8.64434760    -13.96414657
  H     15.17509012      5.65467211    -17.82475464
  H      9.88207988      7.88205026    -13.43494165
          69
 Energy    -250.40287407985051     
  O     15.59088347      4.34209393     -9.98142492
  H     16.20375256      4.35469139    -10.72733319
  H     12.48297718     10.22568091    -12.68553836
  O     13.49051283      8.36994401    -16.36587407
  H     15.94968783      4.98090600     -9.35436215
  H     16.88334982      9.68691993    -12.68771505
  O     17.07170280      9.52142254    -14.48905907
  H     13.01674875      8.34475591    -17.19305397
  H     16.17619844     10.28685537    -11.41018228
  O     14.78089401     11.30006789    -10.87636680
  H     12.88175549      8.03374196    -15.68412406
  H     14.39842429      7.65305747    -10.94195444
  O     11.84290235      7.48382855    -14.40143401
  H     16.68456527      8.69995737    -14.82569754
  H     15.32219302      8.49929211    -11.85603632
  O     19.49167515      4.78803121    -13.91768655
  H     18.02574123      9.44432125    -14.61557263
  H     12.68353607      5.18148894    -11.18386301
  O     12.45210503      4.99127984    -13.13491125
  H     14.29229292     11.60360055    -11.65277911
  H     13.83439945      4.82008977    -10.21091554
  O     18.00304641      7.32235372    -10.75540359
  H     14.12415843     10.88837419    -10.30470944
  H     20.58213991      9.35964685    -14.94229298
  O     12.51410319      9.85263966     -9.61917603
  H     11.93313894      6.62245510    -13.97647626
  H     19.94854244      8.36787750    -13.93730616
  O     18.63744016      6.48669449    -15.85521490
  H     11.78744505      8.13356677    -13.68905585
  H     15.85534330      5.34277543    -13.01713394
  O     13.22217610     11.84154051    -13.20514279
  H     20.04136140      4.10180062    -14.28556881
  H     14.84678403      6.51236139    -12.88208263
  O     12.24760730      9.35821151    -12.32948286
  H     19.17572316      5.32799477    -14.66448981
  H     15.53607552     10.44014725    -14.98954966
  O     16.74961079      9.57750422    -11.73588933
  H     13.40135420      5.12793553    -13.29891595
  H     14.21578568      9.96682581    -15.64067598
  O     14.55703035      7.90895145    -11.85936903
  H     12.24517747      4.11108307    -13.44045309
  H     15.12895184      7.56480165    -15.98306847
  O     12.98057954      5.27733058    -10.27396101
  H     17.59973431      7.11972279     -9.90246370
  H     15.63157518      6.62089676    -14.86574533
  O     19.77855419      8.88687975    -14.74429929
  H     17.61655809      8.15853671    -11.05516431
  H     19.51912067      7.31642361    -11.86216883
  O     15.06479139      5.73068245    -13.41557082
  H     12.26480860      9.67270618    -10.54090577
  H     20.05422301      6.36990096    -12.95735250
  O     14.62880084     10.70973891    -15.18389541
  H     11.75183665     10.24542190     -9.20083280
  H     13.47278384      6.72698698     -9.42870764
  O     15.92777069      7.20975016    -15.57486317
  H     17.69060558      6.67571027    -15.89844060
  H     13.42429399      8.28004946     -9.14804243
  O     20.13951310      7.26278463    -12.60102848
  H     19.06722265      7.32417093    -15.64212244
  H     17.57788282      5.78494449    -11.66677764
  O     13.98471438      7.49626472     -9.12397052
  H     13.74578772     11.48541364    -13.94652620
  H     18.08534148      4.75855047    -12.71312855
  O     17.35409001      4.95626394    -12.11601232
  H     12.85028118     12.66693700    -13.50280010
  H     16.64640129      6.70427085     -7.52197754
  O     16.49497103      6.65328986     -8.46234271
  H     13.07212150      8.84947659    -12.25823564
  H     15.60662344      7.01650711     -8.62262970
          69
 Energy    -250.40255060779671     
  O     17.50162238     15.70286899    -15.97602186
  H     17.24187515     16.32094598    -16.65384368
  H     18.70070460     10.42315876    -10.16537437
  O     19.99467428      9.42470724    -15.58943690
  H     18.00332992     14.99177395    -16.41698998
  H     22.45031902     15.97440788    -12.99416000
  O     20.06754883     13.28337041    -10.02554623
  H     20.33626514     10.14667029    -15.03224279
  H     20.96513534     16.36480919    -12.91626610
  O     15.59963350     14.02165543    -12.03336068
  H     20.75097304      8.92464313    -15.88676500
  H     21.00295368     11.99470797    -10.89752547
  O     19.90110361      9.07298911    -10.80347998
  H     19.46571682     13.70401511    -10.66038220
  H     21.08167769     10.46737695    -11.13837433
  O     15.61792114     11.39089215    -10.86214211
  H     20.76207607     13.92909517     -9.85049726
  H     15.94291166     10.23421810    -13.98188423
  O     18.12048237     10.90123025    -17.06467285
  H     16.50266310     14.30401075    -11.83631168
  H     15.93264529     10.37126129    -12.41159968
  O     21.22387463     13.88282387    -15.25685495
  H     15.50653084     13.15513007    -11.61811338
  H     18.70082925     12.74565347    -16.98691644
  O     22.16049773     15.17596962    -10.01684289
  H     19.48640865      8.82638896    -11.64951508
  H     19.83410658     13.70054839    -16.51548285
  O     20.64727245     11.51256451    -13.98879435
  H     20.03053110      8.26453185    -10.31485029
  H     24.47223517     14.90227000    -14.21945963
  O     15.61713592     11.02803514    -15.57317774
  H     16.51464062     11.33204131    -10.48558462
  H     23.59765929     14.15267450    -13.18605746
  O     18.15592610     11.17804092     -9.91322345
  H     15.01225905     11.16684372    -10.15997339
  H     20.11856142     15.11801843    -14.44013079
  O     21.79447428     16.39253007    -12.42240461
  H     18.04765426     10.52365444    -17.93959638
  H     18.81647297     15.92801872    -14.62394373
  O     21.49565840     11.30759016    -11.37173849
  H     18.73993707     10.33993502    -16.57437377
  H     22.95974678     12.47074367    -11.59439296
  O     16.35518078      9.92950236    -13.15854643
  H     21.08764069     13.02779285    -14.82254654
  H     23.16687470     13.88221910    -11.01931926
  O     18.97973159     13.66787878    -16.96642875
  H     22.08452392     14.20171430    -14.95848561
  H     19.07932699      8.68336363    -14.01332352
  O     23.56829410     14.73426919    -13.96738125
  H     21.97776636     15.67465202    -10.83360990
  H     17.80884704      8.87370035    -13.15293428
  O     19.54539332     15.77124445    -14.01229210
  H     22.48178501     15.80574845     -9.37722498
  H     17.56781113     11.32106640    -13.38480736
  O     23.49957286     13.26635388    -11.68479805
  H     19.71162519     11.74889955    -13.87254526
  H     17.42413205     12.65644007    -14.14374631
  O     18.69932177      8.49074004    -13.15085123
  H     21.02773288     11.42597319    -13.10545465
  H     15.72085265     13.87413347    -13.82455237
  O     18.04686384     12.12098515    -13.63362746
  H     16.40857449     10.94351608    -16.11767753
  H     16.37121822     14.44921747    -15.12949676
  O     15.98141039     13.66180704    -14.73431279
  H     15.55081353     11.97222985    -15.36897146
  H     18.27659581     13.46165735    -12.43347482
  O     18.41663082     14.28705458    -11.94527973
  H     18.76679889     11.91222058     -9.77429731
  H     18.79568040     14.90653277    -12.58212187
          69
 Ord_Energy   -250.401855    
 O   -2.89114547      -2.60093975      0.442530692    
 H   -2.29115367      -2.53799081     -0.311016113    
 H   -2.34478211      -2.61614466       1.23887932    
 O   0.375474066     -0.504494309       1.39968967    
 H   0.952575147       3.82847991E-03   1.98279309    
 H  -0.333540678      0.104164451       1.13931751    
 O  -0.809148610       1.90087724       4.43107414    
 H   -1.40785742       1.17384577       4.20512438    
 H  -0.477092355       1.71420968       5.31883144    
 O   -2.98022079       4.56640959     -0.658100486    
 H   -3.43122935       5.34577656     -0.972062886    
 H   -3.46696305       4.26153660      0.128387660    
 O   -1.58774900      -1.15425897       6.40507650    
 H   -1.02766430      -1.85380983       6.04531336    
 H   -2.11264777     -0.835023582       5.65768051    
 O    7.91034326E-02  0.923322558       6.90768385    
 H  -0.548658013      0.180160925       6.84222221    
 H   0.146238580       1.14911711       7.83099508    
 O    1.64020705       1.30496562       3.06980920    
 H    1.79877555       1.85882246       2.28993535    
 H   0.816230118       1.60811663       3.47406554    
 O   -1.21359503      -2.30109620       2.68519592    
 H  -0.586213291      -1.73826587       2.20335245    
 H  -0.738318563      -2.64261150       3.45192599    
 O   -2.56985974     -0.202983022       3.94787216    
 H   -2.15767026     -0.941657901       3.47772908    
 H   -3.24947309      0.158993036       3.36594510    
 O   -2.83883524      0.300413311      -1.66102910    
 H   -3.64625621       1.40497005E-02  -1.21728969    
 H   -2.33981538     -0.504570007      -1.85632694    
 O   -1.59731853       1.27994883      0.705335975    
 H   -1.91693342       1.06590271     -0.181169346    
 H   -1.26765049       2.18645191      0.703220606    
 O   -1.55738509       2.68220592      -2.29263043    
 H   -2.07017827       3.35173798      -1.82521760    
 H   -2.09207773       1.87629700      -2.27064610    
 O   0.283032924      -2.83035803       5.01649046    
 H   0.795749485      -3.58349919       5.29748535    
 H   0.886103213      -2.06507730       5.01891804    
 O    1.80382359     -0.575478673       5.14968729    
 H    1.38006508      -4.50110212E-02   5.83519983    
 H    1.93957520       2.64691096E-02   4.40576124    
 O    1.07974648       1.98940539      -1.95925105    
 H   0.159863517       2.27834463      -2.08534455    
 H    1.57922161       2.35928226      -2.68349552    
 O   0.897819579     -0.767284870      -1.31548846    
 H    1.01838517      0.148879573      -1.59363031    
 H   0.877180934     -0.752438664     -0.348154157    
 O  -0.757275820       4.01102448      0.969487667    
 H   -1.41032159       4.35761595      0.349108189    
 H   -1.10234392       4.17453671       1.85699964    
 O   -1.92347276       4.22271824       3.51732588    
 H   -1.85014081       4.89371157       4.19134188    
 H   -1.53835714       3.41060901       3.88814831    
 O   -1.36117768      -2.07567620      -1.92515028    
 H  -0.500993252      -1.65512359      -1.74339545    
 H   -1.22014368      -2.69426942      -2.63646102    
 O   -4.88645267     -0.863130569      -5.52691817E-02
 H   -5.69438219      -1.32558000     -0.258916408    
 H   -4.21991730      -1.54060495      0.166640714    
 O   -4.05960941      0.950793087       1.91121066    
 H   -4.50683641      0.347690761       1.30492973    
 H   -3.16684318       1.07699251       1.54986632    
 O    1.72604644       2.78592062      0.751007557    
 H   0.951880455       3.35780478      0.850744426    
 H    1.65928721       2.44753718     -0.148680598    
 O   -4.10320139       3.74242496       1.68830287    
 H   -3.48057079       3.96196032       2.39190173    
 H   -4.27695608       2.79647827       1.78584421    
          69
 Energy    -250.40166026866370     
  O     14.87180543     12.68010286    -15.28605293
  H     14.49715030     12.12425350    -14.57969969
  H     17.59995820      9.65136253    -17.82845335
  O     15.40452368      5.78618448    -13.72613805
  H     14.51822594     13.55656167    -15.16064674
  H     15.26925036      8.38441014    -15.51048078
  O     19.25280378      7.62540065    -13.23255450
  H     14.92234095      6.31704625    -13.07834301
  H     15.90270468      7.30646675    -14.59289620
  O     17.45780040      7.91430015    -17.40041255
  H     16.25367610      5.53868048    -13.33486233
  H     14.46860379     10.74478198    -12.69850338
  O     15.08424266      6.51497572    -18.16074523
  H     19.50551161      7.36391713    -14.13009087
  H     13.31111009     10.29885781    -13.61793550
  O     17.02416765      9.03619972     -9.32428039
  H     18.77967483      8.46536170    -13.31823829
  H     17.73332581      4.39250236     -9.42231132
  O     14.13036617      7.60622356    -12.07595015
  H     16.77909737      7.42942633    -17.88400051
  H     16.86910254      5.54625592     -9.98643152
  O     17.65434434      9.84761085    -13.63058532
  H     17.09687822      8.00047778    -16.50345448
  H     11.51563630      8.59011562    -14.25904874
  O     18.43125941      4.08192728    -15.35636278
  H     15.31198913      5.82548727    -17.50984017
  H     12.85187718      8.54398734    -15.03030501
  O     15.52813302      6.64105256     -9.78923976
  H     14.77114861      6.06388775    -18.94004816
  H     19.24726763      5.77638820    -15.80106665
  O     15.78754551      4.72337673    -16.26904601
  H     17.80379163      8.59045108     -9.70217852
  H     18.96649753      7.11711013    -16.49409266
  O     17.54367185     10.60802548    -17.98505317
  H     17.31991189      9.49371895     -8.54211213
  H     18.41161346      6.05230130    -12.97356675
  O     16.07653810      8.14533301    -15.03822976
  H     13.45360709      7.88063083    -12.70626143
  H     17.92042110      5.00627172    -11.92634699
  O     13.85518815     11.05663493    -13.37746026
  H     14.70766380      8.37518395    -11.95269660
  H     19.27541794      7.63906110    -11.33803386
  O     17.69221952      5.04169161    -10.11884477
  H     17.77291652     10.64041060    -14.17144937
  H     18.75466638      6.67233968    -10.25189971
  O     12.46182462      8.64219024    -14.14570350
  H     17.07104700      9.25963658    -14.13737860
  H     14.71725584     11.54193680    -16.76044409
  O     19.53312128      6.69729712    -15.83597084
  H     18.29568258      4.36886608    -14.43719913
  H     15.65801511     10.81812796    -17.74057520
  O     17.98115286      5.18944431    -12.87204262
  H     18.92070067      3.26380270    -15.31702131
  H     16.46196637      9.91489242    -12.31231280
  O     19.04848413      7.57910214    -10.40084867
  H     15.92880498      7.47577457     -9.51319382
  H     16.13758411      9.70510258    -10.80997538
  O     14.74045944     10.86117882    -17.44577050
  H     14.90461929      6.86436980    -10.49107471
  H     17.69022762     11.53596234    -16.29864907
  O     15.73549658      9.85437909    -11.67349175
  H     16.69288328      4.42679760    -16.11981889
  H     16.72820594     12.27162184    -15.34899007
  O     17.62694819     11.92425585    -15.41774926
  H     15.47160147      5.00748095    -15.39976034
  H     14.09488452      7.80312961    -17.15889992
  O     13.77100217      8.49034840    -16.56425537
  H     18.11958305     10.79894028    -18.72128947
  H     14.02758653      9.34949052    -16.93919782
          69
 Energy    -250.40022192500777     
  O     10.86392919      9.85323364    -11.47324870
  H     10.40730116      9.69187423    -12.30860278
  H     15.63753723      8.99877990    -17.82426437
  O     13.77489178      7.73404429    -15.60382556
  H     11.64491671     10.37620328    -11.69662123
  H     18.73295358      7.27229322    -17.70932149
  O     17.71877805      9.59950488    -11.22596891
  H     13.48885640      6.97681027    -15.07678045
  H     17.29036541      7.63641108    -17.27598145
  O     17.76213988     10.08073308    -15.76386188
  H     14.56262708      8.07179069    -15.14912578
  H     15.29697951     13.75603848    -13.29117370
  O     12.29276924      9.98259737    -14.98153125
  H     16.75696620      9.46417518    -11.27047012
  H     15.98755011     12.37838518    -13.41507310
  O     16.23203789      5.33927044    -11.37218798
  H     17.92839655      9.77476204    -10.31138539
  H     16.47655275      7.63537868    -14.26400058
  O     13.27629392      5.71695314    -13.73834826
  H     17.18959662     10.45116020    -16.45022596
  H     16.56301864      9.12409071    -14.69911875
  O     15.06300383      9.17624871    -11.77165377
  H     18.12943348      9.26784484    -16.13261193
  H     10.67009938      7.25648502     -9.64894104
  O     15.90836910     10.88050450    -17.71851296
  H     11.39076525      9.72140783    -14.75985094
  H     11.07080937      8.28690634    -10.73255745
  O     15.64187001      4.20992070    -14.00197169
  H     12.75704929      9.17888150    -15.25738772
  H     17.67244633      6.39136416    -11.79111455
  O     17.49707162     11.51636101    -13.35553494
  H     16.04010506      4.80025856    -12.14780578
  H     18.24420469      7.82899344    -11.90036358
  O     15.64721863      8.03801236    -17.72304459
  H     15.39741600      5.77534454    -11.15575259
  H     11.46191486      6.15594930    -13.46713390
  O     18.20680679      7.53342155    -16.95841016
  H     13.98677587      5.08540871    -13.90416638
  H     10.75276841      6.69768105    -12.21015789
  O     15.13128360     12.83686300    -13.48363461
  H     13.46611676      6.10315055    -12.87005085
  H     17.88468001      6.52518194    -15.41842144
  O     16.01579007      8.48397529    -14.22849839
  H     14.38836051      9.85064805    -11.92213157
  H     17.97633095      6.38422455    -13.84365835
  O     11.18052602      7.36203046    -10.44702928
  H     15.39461847      8.91929925    -12.64772742
  H     14.45767225     12.25625305    -15.16283559
  O     18.35271030      6.93007526    -12.22623973
  H     15.95579759     11.45766810    -18.47560459
  H     13.39500047     11.27402145    -15.71360859
  O     10.64682906      6.57466009    -13.16190078
  H     15.23261773     11.25359048    -17.12331716
  H     12.94425262      6.93722462    -10.82629630
  O     17.48811317      6.11581797    -14.64105780
  H     16.30954643      4.84881329    -14.30688099
  H     14.23794049      7.64450110    -11.32321860
  O     14.12536609     11.85164652    -15.97285683
  H     15.91665010      3.35378392    -14.31989909
  H     12.88328234     10.66079800    -13.39401445
  O     13.81666011      6.78054929    -11.20684501
  H     17.69321611     10.89292844    -12.64607928
  H     13.78931938     11.75644090    -12.77611740
  O     13.17962533     11.04194487    -12.55344689
  H     17.75998828     11.08987526    -14.18150379
  H      8.95722394      8.97205929    -14.37201755
  O      9.84464527      9.01588257    -14.02682203
  H     14.90879362      7.82307901    -17.13914442
  H     10.09949455      8.10611799    -13.78769919
          69
 Energy    -250.39955532509538     
  O     18.93969866      8.57750152    -13.32046575
  H     18.52580264      9.11587953    -12.63646861
  H     14.36349444      4.25526706    -12.62582237
  O     15.18154994      3.32723819    -14.01439455
  H     18.93205198      7.67171316    -12.98691824
  H     13.06550517      9.56388830    -13.23157251
  O     12.96921908      8.45211346    -14.67267245
  H     14.56459058      3.76052509    -14.63524476
  H     14.16540080     10.56582881    -12.87923867
  O     11.46555282      9.27164554    -10.63016521
  H     15.12377264      2.39053049    -14.18372018
  H     16.00799337      7.42811548    -14.85539244
  O     13.39647313      4.61200346    -15.54584908
  H     13.01684751      8.79916908    -15.57099640
  H     15.79162339      7.33510142    -13.31139837
  O     18.62433376      8.92889556    -16.01305711
  H     13.86843330      8.14247774    -14.47250806
  H     19.06466702      5.54379146    -11.50346660
  O     17.64238969      4.66459699    -14.59889302
  H     12.04446744      9.71524101    -11.26424251
  H     17.70338591      6.15068255    -11.92276160
  O     13.28973054      8.13258525     -8.68935852
  H     12.02458110      9.02606408     -9.88351450
  H     13.41391941      9.82760305    -17.96952924
  O     16.92596932      6.70319639    -16.25417625
  H     13.68025063      5.24538809    -16.22204091
  H     14.60943481      9.69877976    -17.00090711
  O     10.32073625      6.93251183    -11.42826535
  H     12.74056510      5.06046988    -15.00088895
  H     16.04191089     10.68887484    -15.53438522
  O     12.45223584      5.84259578     -9.85718736
  H     18.74983542      8.84007110    -15.05186762
  H     16.99738354      9.90343130    -16.43374489
  O     13.93063602      4.91319672    -12.06727468
  H     19.48125941      9.12648627    -16.38210828
  H     11.28509836      6.36215316    -12.93240150
  O     13.38638209     10.12758882    -12.51218430
  H     16.84546725      4.17987507    -14.34842516
  H     12.20988884      6.96636653    -14.02091377
  O     15.56644431      7.83893886    -14.10049396
  H     18.03567569      5.00358408    -13.78653256
  H     15.30493537      6.51931001    -17.08386473
  O     18.60741729      5.95999626    -12.22974474
  H     13.02546834      7.26694259     -9.05169995
  H     14.09400844      7.41313572    -17.39284325
  O     13.74002983      9.32503087    -17.22775509
  H     13.18260867      8.08057401     -7.74376018
  H     16.54227853     10.66365167    -12.95472260
  O     16.15155514     10.36672819    -16.43899332
  H     17.26757558      5.94185666    -15.75964476
  H     15.82531469      9.63700381    -13.85382158
  O     11.94604672      6.13610775    -13.59741120
  H     17.61186588      7.37978190    -16.28933072
  H     15.30109033      5.97573618    -11.70621601
  O     14.36724372      6.49265906    -17.32345547
  H      9.37485649      6.95814095    -11.31100601
  H     15.72213866      7.38727366    -11.17927335
  O     15.88800618     10.58690213    -13.65694987
  H     10.65878639      7.81247302    -11.18435117
  H     16.71449289      9.76373040    -10.98869175
  O     16.04536330      6.58790364    -11.61348427
  H     13.00323682      5.38066475    -10.50217935
  H     17.87183454     10.74271942    -10.69488054
  O     17.51775915     10.16065322    -11.36311883
  H     11.64433489      6.08353948    -10.32826094
  H     14.50514281      9.34890522    -11.25565514
  O     15.11204981      9.00221688    -10.58619224
  H     13.25951443      5.34385149    -12.61817603
  H     14.57163535      8.74626127     -9.82727158
          69
 Energy    -250.39917304145681     
  O     10.58970484      9.19612429    -14.40160975
  H     10.68772579      8.25687530    -14.60109008
  H     14.75733617      5.47221256     -8.25402717
  O     15.13359031     10.75023777    -10.84061969
  H     10.43484612      9.26041486    -13.45093582
  H     13.81907927      8.01273082    -10.16562895
  O     15.69000976      5.59809766    -13.62463689
  H     15.00111553      9.88884275    -10.40797953
  H     14.93798642      7.60971257     -9.15913596
  O     15.81761148      3.15245575    -10.20430578
  H     15.56132544     11.31510115    -10.20168258
  H     13.75548686      3.26223748    -13.25883943
  O     16.45781006      9.52514593    -13.06624110
  H     16.14559065      6.08374849    -12.92318035
  H     13.58502689      4.00084792    -11.91167293
  O     14.68965758      9.12454887    -15.12282655
  H     15.29688037      4.80806982    -13.22924778
  H     13.84244645      8.04134726    -13.94209194
  O     12.62669371     11.19281349    -12.09157857
  H     15.39094455      3.13409595    -11.07177840
  H     14.20767877      6.63773193    -13.43214707
  O     12.57627741      3.12749151    -14.61693543
  H     15.10047866      3.29843027     -9.57516318
  H     11.26058200     10.22751823    -11.68993057
  O     13.56663161      4.01148192     -8.64848731
  H     16.07206903     10.05880210    -12.36098706
  H      9.84532168     10.08493703    -11.07649645
  O     12.57973257     10.97678082    -14.93974317
  H     16.73395201      8.70319381    -12.64218975
  H     15.40374340      6.11417397    -15.40384185
  O     17.59541007      5.13997402     -9.72789034
  H     15.38207531      9.34602286    -14.47940106
  H     14.94047679      7.45191900    -16.00566237
  O     15.39837818      6.19114345     -8.19441490
  H     14.05864269      9.85311884    -15.15212992
  H     15.98784928      7.49597555    -11.00587094
  O     14.70334865      8.24494503     -9.85144745
  H     12.74465208     11.22819131    -13.04870106
  H     17.14700579      6.47862177    -10.94790268
  O     14.23459911      3.55378244    -12.46951411
  H     13.50185394     11.09881900    -11.69655936
  H     12.68747735      4.91968479    -17.62527474
  O     13.52492986      7.31941785    -13.38384647
  H     12.67908242      3.72773137    -15.36581885
  H     13.56785938      5.61633868    -16.56287254
  O     10.51763189      9.60881678    -11.55601149
  H     11.77266110      3.40750048    -14.16301425
  H     12.74894882      7.49935519    -11.85564776
  O     15.00588827      6.50652630    -16.19371962
  H     13.00854807      3.54975319     -8.02736861
  H     11.59231116      8.18504233    -11.07863633
  O     16.70566482      7.11222134    -11.52778538
  H     13.00534352      4.24489928     -9.40586991
  H     12.05726678      6.76636628    -14.22252892
  O     12.73621012      5.12577921    -16.69591087
  H     12.27998368     11.64923027    -15.54587192
  H     11.63543428      6.04287198    -15.51503232
  O     12.28902979      7.52325419    -10.99913137
  H     11.84255143     10.34950256    -14.82876701
  H      9.49804954      4.23981948    -13.20441361
  O     11.28149451      6.46348239    -14.72035503
  H     17.02578811      4.37843820     -9.93971027
  H     10.63981889      5.17520707    -13.66443182
  O     10.43339737      4.40274478    -13.11089648
  H     18.44440320      4.78704012     -9.47625940
  H     11.50609563      4.55091564    -11.57155600
  O     12.17422149      4.77583021    -10.91234442
  H     16.21559228      5.84997838     -8.57907917
  H     12.18843284      5.74321363    -10.85934585
          69
 Energy    -250.39881283448301     
  O     -1.91619520      4.38025108      5.02327463
  H     -1.02484028      4.10789917      5.30977948
  H     -3.37476057     -2.34803506      1.77440388
  O     -1.05496494      3.90593419      2.34871560
  H     -2.15163739      5.14533576      5.54096076
  H     -4.45251319     -3.53247412      3.72213504
  O      0.53967991      3.38973780      5.60666893
  H     -0.16083770      3.60313462      2.56845373
  H     -3.72595872     -2.23622133      4.14762496
  O      0.53140711     -2.82441824      1.91195152
  H     -1.43401698      4.23883212      3.17120259
  H     -1.41150643      0.38054990      1.91161340
  O      2.55905842      0.25108831      0.04074054
  H      1.03846695      3.37528148      4.77940161
  H     -0.47302079     -0.18441112      0.77842219
  O      0.02063338     -0.27737882     -0.95931865
  H      0.41347889      2.46470745      5.85685260
  H     -3.72593668     -0.34175874      0.20203541
  O     -2.59267029      1.61523335      2.33953018
  H      0.02356411     -2.00100041      1.88594825
  H     -3.54607518      1.04403123      0.84096507
  O     -1.93942909      1.58189601     -1.73424215
  H      1.45591294     -2.54990538      1.95257813
  H     -1.74607912      1.27502747      5.34539657
  O      2.36699944      3.08930779      0.27310430
  H      1.73920859      0.04825719     -0.43133781
  H     -2.56884522      2.57177821      5.16759057
  O      3.03799899     -1.48054986      2.04305838
  H      2.59022382      1.21159803      0.11651540
  H     -0.40649509     -3.34962506      3.45157242
  O     -3.48037824     -1.06492597      5.42349913
  H     -0.28364410     -1.19514163     -1.03282537
  H     -1.89293638     -3.38171508      3.88355505
  O     -3.02867082     -1.95498019      0.96291881
  H     -0.62700984      0.30394360     -1.37524648
  H     -0.29451664     -3.12033794      0.12563292
  O     -3.73814887     -2.94743266      3.48253987
  H     -2.10076038      2.44142287      2.23566808
  H     -1.73827951     -2.75151366     -0.23917983
  O     -0.77018418     -0.31033649      1.69198263
  H     -2.74219693      1.51369300      3.28842599
  H      0.56445397      0.08483469      2.84158142
  O     -3.76316787      0.60324991      0.00763419
  H     -2.64801581      1.24336815     -1.15853391
  H      2.02020039     -0.33882440      3.12845841
  O     -2.62372319      1.61083684      5.10724802
  H     -2.34137725      1.78521188     -2.57477724
  H     -0.80531348     -2.51996515      7.23678692
  O     -0.98870840     -3.40822631      4.21903111
  H      2.89570202      3.72266641     -0.20512989
  H     -0.89343902     -2.49325958      5.69192780
  O     -0.85595125     -2.86437471     -0.61705654
  H      1.44651004      3.21168076     -0.02324961
  H     -0.32682210     -0.24109608      6.14808305
  O      1.31459721      0.24421527      3.43262989
  H      3.94837689     -1.76163276      2.04889836
  H      0.45965710      0.44243258      5.00615532
  O     -0.96728660     -1.94457050      6.49406899
  H      2.93228155     -0.87519565      1.28491506
  H     -0.68471542      3.71492348      0.47975329
  O     -0.09175677      0.62075509      5.78181535
  H     -2.70440775     -1.36273574      5.91518465
  H     -0.86287658      2.85813916     -0.80656010
  O     -0.24806412      3.42986031     -0.33288872
  H     -3.38687788     -0.10765728      5.34605384
  H      1.52322703      2.02352443      3.12678358
  O      1.52112269      2.97692531      2.95970501
  H     -2.27531716     -1.41647862      1.23927441
  H      1.94559540      3.09892558      2.10157387
          69
 Ord_Energy   -250.397461    
 O   -3.06482267      -2.71783733      0.762248635    
 H   -2.17229962      -2.72386551       1.13057005    
 H   -2.99123335      -2.43593645     -0.158369616    
 O    8.75988975E-03 -0.137850732      0.347306281    
 H  -0.765575767      0.386811018      0.602621138    
 H   0.771288157      0.369105577      0.652309716    
 O   0.401312739       1.56349611       4.00614643    
 H    1.16292989       1.30968952       4.54385662    
 H  -0.163575858      0.778943419       3.94290161    
 O   -4.25937080       4.31529903       1.41151237    
 H   -4.23797750       3.86110282       2.27319956    
 H   -4.88945818       5.02641344       1.49323976    
 O    1.01517689      -1.82656121       5.37103605    
 H   0.154797137      -1.50806546       5.06420517    
 H    1.36923182      -2.35425735       4.64386797    
 O    2.52849340      0.419651926       5.43074942    
 H    3.04929376      0.513087034       6.22322464    
 H    2.01967382     -0.407246143       5.52111244    
 O    1.80814552       1.61919308       1.51092792    
 H    1.30494332       1.70605206       2.33161616    
 H    1.49119854       2.30777645      0.906837761    
 O  -0.475497335      -2.37676024       1.81943452    
 H   0.363876581      -2.71669388       2.15139079    
 H  -0.258924544      -1.64017069       1.22542846    
 O   -1.16916156     -0.731229424       3.97288871    
 H   -2.07471800     -0.414973855       3.86321568    
 H  -0.986544132      -1.32318783       3.22944021    
 O   -4.91679382      0.168293744     -0.620832026    
 H   -4.37333012     -0.453788996      -1.12245703    
 H   -5.13657999     -0.283627301      0.201684266    
 O   -2.06366801       1.50205708       1.13971758    
 H   -1.69464946       2.35650206       1.39541781    
 H   -2.67228031       1.69289827      0.414784193    
 O   -3.76179314       2.60711598     -0.805887759    
 H   -4.06652880       3.19886351     -0.106918171    
 H   -4.30735445       1.80364430     -0.795626938    
 O    2.05822420      -2.91999984       2.93089700    
 H    2.50441003      -2.06413269       2.79831934    
 H    2.70727277      -3.59684014       2.75861025    
 O    3.21559215     -0.460015684       2.77280045    
 H    2.88478756      0.252622843       2.20995998    
 H    3.16422439     -0.120753519       3.67457628    
 O   -1.40385699       2.82660604      -2.20984316    
 H   -2.27014804       2.80882454      -1.76936603    
 H   -1.49452329       3.40312624      -2.96504188    
 O   -1.02930331       4.79220005E-04  -2.22337365    
 H  -0.517915666     -0.119206011      -1.41064906    
 H   -1.11573303      0.953854024      -2.33869576    
 O   -1.42091095       4.22538280       1.71371865    
 H   -1.30571973       4.19882393       2.67245889    
 H   -2.35203481       4.41876125       1.54791391    
 O   -1.20254540       3.72902393       4.46853447    
 H  -0.613528371       2.96353078       4.35567856    
 H  -0.870742202       4.22439051       5.21299410    
 O   -3.13578939      -1.65240252      -1.88479125    
 H   -2.37434721      -1.07093608      -2.05772877    
 H   -3.26300454      -2.17660475      -2.67110825    
 O   -5.17853451      -1.39922476       1.77584302    
 H   -4.42996168      -1.93699825       1.45544827    
 H   -5.87683725      -2.00607920       2.00467300    
 O   -3.57543421      0.392517835       3.17897248    
 H   -4.21398830     -0.218557164       2.79068303    
 H   -3.04656816      0.745207965       2.44573236    
 O   0.539508998       3.44699216     -0.119871102    
 H   -4.06247983E-03   3.20612717     -0.878287911    
 H   -6.36509508E-02   3.89076447      0.492380202    
 O   -3.93908644       3.07913470       3.80983472    
 H   -3.93979955       2.11612344       3.71451044    
 H   -3.07424641       3.30607033       4.17128134    
          69
 Energy    -250.39679889321496     
  O     17.62979634      8.02928591    -11.78578266
  H     17.98994418      7.88034990    -12.66885882
  H     13.01243000      8.55521031    -13.73892428
  O     12.94032882     11.92533100    -12.33120316
  H     18.13694662      8.72988238    -11.34897763
  H     17.57738729     11.19238034     -5.97632529
  O     18.36789861      7.75710272    -14.46658498
  H     13.27753778     11.71822926    -11.44842891
  H     17.86406776     10.15711531     -7.09139552
  O     11.67338285      9.63984438    -13.07711873
  H     13.71058270     12.22313624    -12.83081269
  H     14.74674437     10.43028135    -10.96951778
  O     15.79772423      6.76658330    -10.18062110
  H     17.51564402      7.92824361    -14.90841946
  H     14.08711608     10.10171694     -9.61927652
  O     18.76947587     10.14316476    -10.46983166
  H     18.81159260      7.08214062    -14.97286986
  H     18.98225603      9.27043373     -8.81122318
  O     19.82115167     11.85401706    -12.41517606
  H     12.09089016     10.48389642    -12.83049471
  H     18.39662925      8.11906203     -7.94812810
  O     16.81686535     11.80373743     -9.36614775
  H     10.81975805      9.85546193    -13.44373565
  H     16.15801642     12.72393317    -12.91956474
  O     11.87342481      7.84169743    -10.81685127
  H     16.45743381      7.17338498    -10.76209858
  H     15.55756477     11.31298448    -13.12089493
  O     16.02489917      8.43420802    -15.62618555
  H     16.24810810      6.58470165     -9.34601322
  H     17.31561152      5.96380955     -7.09000383
  O     13.81450906      6.01860395    -11.94331419
  H     19.26030852     10.69815918    -11.08846790
  H     16.51101549      7.27514111     -7.26132930
  O     13.81264887      8.04093901    -13.91454490
  H     18.06346755     10.69939934    -10.10763162
  H     14.90488403      9.12540351    -12.94147636
  O     17.20570596     10.79423962     -6.75923980
  H     20.66736954     12.24492562    -12.61481790
  H     16.27620746      9.15614405    -12.21570899
  O     14.36938661     10.83933550    -10.17443863
  H     19.51568101     11.41226274    -13.22776749
  H     18.12008731     10.85930258    -15.08371870
  O     18.86389961      8.96143600     -7.90306790
  H     16.92102207     11.60919950     -8.42714918
  H     18.83733872      9.59768936    -14.57099196
  O     15.54776339     12.21639976    -13.47447556
  H     15.91529121     11.54174493     -9.60417475
  H     16.26339151     11.85522988    -16.58903784
  O     17.11292450      6.65566411     -7.71409988
  H     12.39773112      7.13701275    -11.21681111
  H     16.06725116     11.69346264    -15.06351711
  O     15.49025671      9.67946165    -12.41029393
  H     11.72672139      8.48792456    -11.51774898
  H     14.50964132      7.90610284     -9.37329506
  O     18.90019616     10.55958283    -14.60186544
  H     16.06241560      9.38688530    -15.78007746
  H     13.00645101      8.24863210     -9.45791228
  O     16.42331915     11.26204899    -15.85968925
  H     15.19795959      8.25840598    -15.15901332
  H     17.20349160     12.93704730    -10.85373407
  O     13.81073283      8.42030721     -8.94702755
  H     13.73655200      5.06857349    -11.98512002
  H     18.25999032     12.90490711    -11.97228196
  O     17.39973382     13.27324514    -11.73800359
  H     14.52332438      6.21190111    -11.30721736
  H     15.88615848      9.37219640     -6.66017252
  O     15.44296682      8.51569937     -6.67839081
  H     13.79770498      7.27490810    -13.32551248
  H     14.73957287      8.57243962     -7.34040211
          69
 Energy    -250.39564565516866     
  O     12.19320930     10.94364794    -13.41535084
  H     11.70419980     11.73373745    -13.63127599
  H     14.54910558      6.00574912    -14.90293727
  O     15.23924205      6.47627571    -13.22853470
  H     12.56031231     10.60620787    -14.25095559
  H     20.05246976      6.44836227    -14.98783723
  O     18.26929038      9.52769306    -11.44137493
  H     14.63014304      6.80710062    -12.55285336
  H     18.78364771      7.31341339    -15.18000115
  O     18.49602982     11.89262538    -14.69844846
  H     16.13002412      6.50547446    -12.85291940
  H     17.62461881      9.76261721    -16.87391780
  O     11.66558615      7.32615758    -15.50466459
  H     18.14906031      9.59602970    -10.48696714
  H     17.70019762     11.18882326    -16.32157688
  O     15.02355784      9.84603734     -8.83385460
  H     17.60947355     10.09248127    -11.86840020
  H     14.74578485      9.18913523    -14.90841200
  O     13.60102978      7.74027414    -11.39562058
  H     19.06738038     12.65391084    -14.75865977
  H     15.40626785      8.08228156    -14.02794222
  O     16.47369905     10.99946134    -12.95326137
  H     19.05451395     11.14792767    -14.41116046
  H     17.33687318      6.60931950    -10.37209819
  O     15.56097378      6.94140160    -17.89425860
  H     11.49272658      7.56340244    -14.57592048
  H     17.39640919      7.57019702     -9.16352846
  O     14.40518705      7.03684874     -8.83144064
  H     10.82945396      7.06804486    -15.88332601
  H     11.45381136      9.18265014    -13.03490539
  O     17.50643545      7.96282596    -16.17948103
  H     14.66717696     10.18304700     -9.66642212
  H     12.03731924      7.92917846    -12.36340923
  O     14.15588704      5.99351645    -15.78552391
  H     14.67574190      8.95152657     -8.72973926
  H     19.48876621      9.70637612    -12.82487543
  O     19.45169577      7.03085932    -14.53059502
  H     13.76871991      7.42668615    -10.49815655
  H     19.87991343      8.86347295    -14.04551961
  O     17.36505919     10.67315207    -17.06348333
  H     13.86484363      8.67093532    -11.42545780
  H     17.92720453      7.82007859    -11.94097208
  O     15.55912482      8.93580716    -14.45454387
  H     17.08739478     11.49657715    -13.50679968
  H     18.41576377      6.76913512    -12.95128071
  O     17.02370844      6.73286558     -9.46763044
  H     16.15628409     10.26454381    -13.50460052
  H     18.07338385      9.80316789     -7.92419085
  O     11.34807887      8.22564438    -12.97375644
  H     15.48844440      6.33254856    -18.62387080
  H     16.74985513      9.66003427     -8.71600381
  O     19.88457450      9.76515515    -13.70615738
  H     15.04593227      6.56213267    -17.15870741
  H     15.65972394     10.19988767    -17.60826333
  O     17.80672266      6.89810445    -12.21451880
  H     14.13567470      6.41563586     -8.16090473
  H     15.04077092      8.82759698    -17.95586032
  O     17.69759941      9.43444320     -8.71861673
  H     15.33502311      6.83868655     -9.04551513
  H     14.99670632     10.77673811    -11.91196852
  O     14.82086566      9.75204589    -17.79189527
  H     16.87016473      8.37207290    -15.57274025
  H     13.45799155     10.74094714    -12.04441672
  O     14.18781043     10.49330598    -11.46288145
  H     16.97483204      7.52733037    -16.85780904
  H     13.65998633      9.83610361    -16.49629005
  O     13.15166704      9.72868293    -15.67630487
  H     13.26747224      6.35850384    -15.69038893
  H     12.63036735      8.91960963    -15.75210643
          69
 Energy    -250.39529106775231     
  O     -6.10755150      3.91610832     -1.30156594
  H     -5.19637561      4.25703856     -1.34444903
  H     -6.72387512     -0.75758829     -0.70830731
  O     -1.49725176      3.93171035     -3.30006894
  H     -6.68675401      4.66866916     -1.38677923
  H     -5.68068074     -1.30183167      1.41970512
  O     -5.60836019      1.94525110      0.65594629
  H     -0.81642375      3.64535804     -2.66781979
  H     -4.73676304     -0.69523127      2.47756169
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  H     -2.56782441      1.30659155      2.83896474
  O     -3.08854513      1.59938084     -3.42742050
  H     -5.91836103      2.68289436      0.11908110
  H     -1.17542891      3.06814726     -0.21939498
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  H     -2.49861819      2.28236929     -0.03500848
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  H      2.23076316     -1.41902167      2.83739990
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  H     -0.29347081     -0.14564821     -0.73668669
  H      1.65179977     -0.02222719      2.49510849
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  H     -0.46628039     -0.21140332     -2.28979529
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  H     -2.53986910      2.39220645     -3.46652763
  H      0.17201610      1.64895568      2.87593053
  O     -6.86357621     -0.58869045      0.23116722
  H     -2.53656605      0.84357606     -3.66599690
  H     -4.93650486      1.74641327     -3.38849125
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  H     -3.51260704     -2.05863317     -1.71427528
  H     -7.09620313     -1.19365056     -3.13201002
  O     -1.98403160      3.03217822      0.30701591
  H     -2.35641242     -1.24249523     -3.35717767
  H     -6.24857128      0.05663974     -2.80640477
  O      1.84452058     -0.90669411      2.13278012
  H     -1.26335251     -1.24043171     -4.45393450
  H     -3.39209309      1.09320715     -1.66099958
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  H      0.95490280      3.07044851     -0.81010089
  H     -3.34715536      0.00378027     -0.53127563
  O     -5.87536233      1.72516577     -3.15750900
  H      0.15739564      1.95602153     -1.53982734
  H     -2.91942829      4.59738040     -2.11626562
  O     -6.37354213     -0.88435729     -2.59106823
  H      0.13225798     -0.93983717      1.36878833
  H     -3.04807695      4.27337830     -0.62848774
  O     -3.44836429      0.94715117     -0.70877070
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  H     -4.90160527      1.52867214      2.26905429
  O     -3.50909221      4.70280631     -1.36196386
  H      2.47841161     -0.23267426      0.46110099
  H     -4.96323174      1.46026717      3.80930989
  O     -4.44786608      1.18208942      3.05545771
  H      1.85013550      0.14872656     -0.89669401
  H      2.49475809      1.98317571      0.18679576
  O      2.27113132      2.88400446      0.48485347
  H     -6.61882452      0.33484830      0.37029312
  H      3.09510010      3.35419703      0.58417226
          69
 Energy    -250.39526661143668     
  O     -8.04757827     -2.71887328      5.72499300
  H     -7.29209997     -2.23316822      6.07752414
  H     -2.93841107      1.20825876      2.29607798
  O    -10.24235937     -3.03997523      2.37379932
  H     -8.71710340     -2.06550465      5.48164561
  H     -6.97461725     -0.83853215      2.98173254
  O     -8.03644350     -4.27541316      3.54484718
  H     -9.50087897     -3.54773304      2.74001045
  H     -7.52862182      0.56657832      2.57123889
  O     -5.36457454      0.63823490      0.30411239
  H    -10.98394540     -3.63826606      2.31500785
  H     -5.16932987     -1.50974728      7.31197595
  O     -6.77258954      1.18189856      5.64678801
  H     -8.01522499     -3.76844765      4.37921333
  H     -5.19301630     -1.34452057      5.77373258
  O     -4.92408452      5.22352227      1.03798282
  H     -7.80129463     -5.17387595      3.75945962
  H     -0.81109652      2.63303787      1.71502861
  O    -10.31347916      1.35277848      0.89876269
  H     -5.68355334     -0.21335419     -0.01201072
  H     -2.12358095      3.26842854      2.23574902
  O     -4.35343658     -1.46198567      4.25214414
  H     -6.15589408      1.12559011      0.58454931
  H     -8.10994915      2.53154497      5.21654968
  O     -3.88419222      3.00883019     -0.17044509
  H     -7.01405363      0.76965613      4.80139633
  H     -8.13809036      3.58016374      4.08850516
  O     -9.83841826     -1.00755666      4.35603469
  H     -6.44775745      0.45517217      6.18925927
  H    -10.07513973      2.16378431      3.97706030
  O     -6.70490769     -1.80732070     -0.29193179
  H     -4.90727185      5.96399124      0.43778630
  H    -10.59303101      0.70672020      3.96754814
  O     -3.71337583      0.70570959      2.57678747
  H     -4.59815177      4.45203442      0.54081463
  H     -6.80158711     -3.13630819      2.69095864
  O     -7.46892783     -0.07132526      3.29317529
  H    -11.00272303      1.81541410      0.43075498
  H     -6.31181219     -2.33875120      1.44005214
  O     -5.73732835     -1.28428444      6.58017419
  H    -10.50966582      1.44183746      1.85029720
  H     -9.66572726     -0.38510536      0.51019954
  O     -1.75940068      2.54081622      1.69941110
  H     -4.89597013     -1.94271346      3.61290075
  H     -9.65232143     -1.84624646      1.01897694
  O     -8.70206795      3.09407741      4.70190794
  H     -4.00266847     -0.70853801      3.75992421
  H     -3.65679890      4.88724764      2.47819301
  O    -10.69971977      1.56490361      3.54054628
  H     -3.07198179      2.82932861      0.31965885
  H     -3.63779210      3.93574615      3.68959013
  O     -6.20301438     -2.44051476      2.39407435
  H     -4.38176329      2.18105960     -0.16590204
  H     -5.43937902      2.18644387      4.89471529
  O     -9.26817453     -1.25195113      0.36344587
  H    -10.15278873     -1.65746455      3.71702035
  H     -4.48829836      1.92932051      3.69742623
  O     -3.06625985      4.45976559      3.11065738
  H     -9.03127653     -0.62841902      3.97018167
  H     -7.40805941      2.66178047      1.76827823
  O     -4.86013567      2.62489677      4.25813152
  H     -6.69706568     -2.28346513     -1.11780744
  H     -8.53657665      1.81757934      1.06686561
  O     -7.59458156      1.85309740      1.27062755
  H     -7.63417644     -1.57562232     -0.10928064
  H     -6.10660891      3.54231887      3.32231312
  O     -6.76519764      4.00031201      2.77768265
  H     -4.28147624      0.61279267      1.79934407
  H     -6.26129143      4.55626694      2.17094376
          69
 Energy    -250.39426825429726     
  O     17.38719324      7.67759116    -14.09049845
  H     18.00456858      8.08446727    -13.46740735
  H     13.55493555      8.78473993    -15.93942892
  O     12.55338130     11.06825377    -11.32944904
  H     17.49729820      8.09127167    -14.95940269
  H     17.87922050      8.51677118     -9.05514089
  O     17.37749515      9.11630874    -16.42529235
  H     11.80321671     11.46745834    -10.89735999
  H     18.87062772      7.35699455     -9.29593036
  O     11.68896604      8.97888031    -12.82353570
  H     12.20201200     10.35459504    -11.89268534
  H     14.90580661      9.31511822    -11.77666968
  O     15.96059263      5.57576022    -13.00762895
  H     16.48144397      9.24064682    -16.75833004
  H     13.93783792      9.92806530    -10.74989039
  O     18.90471591      8.85704927    -12.08493968
  H     17.70894473     10.00418189    -16.23896373
  H     20.76036247      6.17713875    -10.70554950
  O     18.89232621     11.46177169    -13.12915112
  H     11.71089275      8.08477909    -12.46229762
  H     19.24576378      5.94654407    -10.92440677
  O     17.26054965      9.94240216    -10.09012056
  H     12.04304303      8.89749971    -13.71987875
  H     17.35526772      4.95044741    -10.29272737
  O     12.08614087      6.26646323    -11.95745287
  H     15.48639086      5.98574699    -12.27095389
  H     17.29952260      4.94235937    -11.83181788
  O     14.64088688      9.92580644    -17.04073797
  H     16.48923663      6.26649111    -13.43599985
  H     14.44358870      8.90337130    -13.98460148
  O     13.51008705      5.84112831    -14.44024242
  H     19.38287988      8.11941640    -11.68577637
  H     15.96530555      8.68285447    -13.70603525
  O     13.12267081      8.44519843    -15.14890486
  H     18.30968235      9.19921559    -11.40211815
  H     18.41605850     11.68099572    -14.75474396
  O     18.15374365      7.65238510     -8.72095429
  H     19.04772145     10.55979233    -12.81962321
  H     18.61667499     12.40915070    -16.10530530
  O     14.68883021      9.32981957    -10.82873123
  H     18.36612412     11.89689928    -12.44732675
  H     16.26540918     11.77435627    -15.17264232
  O     19.92040510      6.62599238    -10.74360436
  H     17.32678823     10.88185813    -10.29968415
  H     15.36586136     10.80257014    -14.35583632
  O     17.90073121      4.84659663    -11.08153790
  H     16.33674741      9.70261828    -10.25499711
  H     14.57097659      7.55240877    -10.69750999
  O     15.20231792      9.23273288    -13.48356165
  H     11.53777736      5.63356882    -11.50044527
  H     15.06847339      6.23391058    -10.03091308
  O     18.05495046     11.78523928    -15.65432131
  H     12.92306437      6.31803316    -11.46557573
  H     17.34039482     13.41569612    -10.69190574
  O     15.35011239     11.59407791    -14.91864059
  H     14.34448804     10.37521131    -17.82871265
  H     16.32418389     12.59674985    -11.52034356
  O     14.52696254      6.58633939    -10.74795838
  H     14.79169712     10.61112322    -16.36862709
  H     13.99486307     12.13755544    -12.02868255
  O     17.20456057     12.56717176    -11.10545031
  H     14.38154651      5.60912408    -14.09449885
  H     14.86535285     12.42856140    -13.27434515
  O     14.77621196     12.61534205    -12.33121900
  H     12.92620072      5.86517811    -13.67199216
  H     16.95045975      6.39680902     -8.70800464
  O     16.31862006      5.66242697     -8.81279726
  H     13.27169949      7.48790530    -15.08550518
  H     16.24562905      5.23873534     -7.96200454
          69
 Energy    -250.39368410255648     
  O     11.44494483     10.18966393     -9.60583457
  H     12.33765933     10.36640302     -9.94414183
  H     17.26086610      9.90216039    -12.12372040
  O     12.66707393      9.57361660    -16.63728262
  H     10.91450634     10.00221159    -10.38886491
  H     17.10145248      7.68514967    -13.43782258
  O     14.39035188      9.11784516    -14.50224250
  H     12.70250655      9.71805051    -17.57887835
  H     15.88488736      8.61512792    -13.64449948
  O     13.42051421     12.39443970     -6.77617403
  H     12.04926161     10.23477958    -16.27549794
  H     11.87833924     15.15976344    -10.98726597
  O     10.85276800     11.26049511    -15.52428181
  H     13.93750344      9.26992628    -15.34118137
  H     11.99792581     13.80556808    -10.25378340
  O     12.50425361      8.02288763    -12.80940247
  H     13.73432020      8.72006528    -13.90781403
  H     15.35972464      8.01722429    -11.57534531
  O     15.43441584      8.55050389     -8.30508857
  H     13.73698694     12.84884476     -6.00020606
  H     14.41760683      8.95979742    -10.78771362
  O     13.96920535     10.69061704    -10.62009698
  H     14.15112262     12.39401874     -7.42029243
  H     17.34939324     13.39658174    -13.36529488
  O     13.04714299      9.59253690     -7.32857334
  H     10.11630116     10.69885412    -15.25160228
  H     17.02504311     12.19812888    -12.43715860
  O     15.12311549     14.10504959    -10.72483571
  H     11.08104385     11.79151489    -14.75024349
  H      9.89027490      9.72081675    -12.90582430
  O     11.67043887     12.37802512    -13.05947156
  H     11.85308520      8.67692441    -12.51850603
  H     10.89960416     10.81398788    -12.46953934
  O     17.51776787     10.72701717    -11.69476218
  H     13.10472201      7.85426483    -12.07209859
  H     15.36699785     13.01288924     -9.37330184
  O     16.58611181      8.37011788    -13.01810515
  H     14.61959267      8.86627779     -7.88624970
  H     16.12458564     11.76922838     -8.75187676
  O     12.25543185     14.28648319    -11.06157867
  H     15.16252558      8.11569046     -9.12174689
  H     15.09737692     12.10594039    -13.27782344
  O     14.61063582      8.02463982    -10.96824563
  H     14.09716446     11.09532214    -11.48628345
  H     14.39951280     10.78512255    -13.75778618
  O     16.64276751     12.97694438    -12.88311396
  H     14.40759458     11.24087885     -9.96021529
  H      9.67651711      8.60090729    -14.80537705
  O     10.54245931      9.94573077    -12.23204414
  H     13.12424479     10.49316287     -6.99212424
  H      8.16723275      8.93746744    -14.72285010
  O     15.32637518     12.30865364     -8.70717144
  H     12.35980897      9.63219079     -8.00573290
  H     16.67666311      9.68521884     -8.64876232
  O     14.27159669     11.60636576    -13.26635686
  H     14.18909046     14.18451874    -10.95552992
  H     18.09362946     10.21639165     -8.32491622
  O      9.03518675      9.27935826    -14.52777226
  H     15.60086454     13.84148566    -11.51973687
  H     11.34294784     11.97220391     -9.08729403
  O     17.33767711     10.36177884     -8.88728679
  H     11.71660216     13.09045563    -12.41155771
  H     12.10409544     12.83538917     -8.06954875
  O     11.55350181     12.88804799     -8.85977998
  H     12.59276858     12.12249492    -13.21693032
  H     11.63116386      8.12760406    -15.80432784
  O     11.07709161      7.60767352    -15.20987712
  H     17.48674848     10.56969546    -10.74290575
  H     11.57254675      7.53870448    -14.38179638
          69
 Energy    -250.39282045199826     
  O     11.79638065      9.72633477    -14.13232384
  H     12.17261582      9.04829821    -14.71427852
  H     21.25207543      9.15153755    -14.64657140
  O     16.83587387      6.92782138    -13.16398081
  H     12.18262664     10.55911530    -14.42022155
  H     14.94494510     11.97829689    -18.10387030
  O     17.37783032     11.11144032    -11.74922537
  H     17.59834577      7.44935935    -12.87918923
  H     15.60565365     11.29959330    -16.87859063
  O     16.93979913     10.79578231    -15.93141262
  H     16.25669482      6.85680474    -12.39319343
  H     14.68876296      8.53842948    -14.91191626
  O     13.33636864      5.23303498    -14.76485788
  H     16.53273163     11.20316461    -12.21310549
  H     15.97213481      8.20393126    -14.08886193
  O     14.07220200      9.63066189    -10.72842546
  H     17.15302957     10.99989981    -10.81816642
  H     11.65938253      9.04860065    -12.55438107
  O     15.29531633      7.06044378    -10.84682854
  H     17.55517942     11.23542316    -15.32702793
  H     10.73254174      8.63935602    -11.38393150
  O     14.87784693     11.05213022    -12.96286579
  H     16.48650725     10.09549020    -15.43637822
  H     17.31063932      8.72043245     -9.37503448
  O     16.81182895      6.98210628    -17.63698238
  H     12.79896279      4.45300055    -14.87207292
  H     18.20215961      8.05176806    -10.43726905
  O     18.75445825      8.75136461    -16.56573689
  H     13.22823097      5.52311198    -13.84076225
  H     12.48622630      6.93954017    -12.07206846
  O     16.08271033      5.55117236    -15.46295168
  H     14.30541001     10.17900713    -11.49219062
  H     13.82884852      6.29038088    -11.69613988
  O     20.33315318      9.26635692    -14.42020845
  H     13.17872463      9.30668160    -10.89875376
  H     18.42799651     11.65413596    -13.24171969
  O     14.75521002     11.45307559    -17.33022648
  H     14.87129282      7.92859950    -10.82987745
  H     19.44471350     10.98498567    -14.19161088
  O     15.48385031      8.91818429    -14.51758958
  H     16.11101000      7.15731005    -10.33420175
  H     19.39435980      8.81550086    -12.89186539
  O     11.63951580      8.62337552    -11.67733049
  H     14.33488077     11.58833853    -13.54887571
  H     18.28195002      9.51411223    -12.06908364
  O     17.65513135      7.86610660     -9.66264167
  H     15.07984070     10.24653062    -13.46704774
  H     15.43988365     10.12739019     -9.63668499
  O     13.04383508      6.17275576    -12.24743099
  H     17.01004844      6.36544209    -18.33759954
  H     16.06467187     10.81330363     -8.40178126
  O     18.79988230     11.70098710    -14.13191758
  H     16.54961918      6.44805505    -16.86545948
  H     15.31010497      8.13874357    -17.88604212
  O     18.75061119      8.67585913    -12.18591075
  H     18.18834826      9.53220801    -16.50250498
  H     14.60088490      9.52303638    -17.82393451
  O     16.28207178     10.38356785     -9.22538969
  H     18.19001774      8.06583276    -16.94104576
  H     12.80521533     12.91983068    -15.20846223
  O     14.45181071      8.57923592    -17.94470304
  H     15.16397940      5.34123403    -15.25858048
  H     13.70753548     11.85586806    -15.86335376
  O     13.23170767     12.08077987    -15.04878749
  H     16.45941044      5.90903686    -14.64701594
  H     13.15468715      6.93699016    -15.47807467
  O     13.14176641      7.88330283    -15.66350005
  H     19.81679079      8.99958662    -15.20187417
  H     13.49167615      8.03500464    -16.55437683
          69
 Energy    -250.39275878608208     
  O     -3.31931398     -2.31150863     -0.42754465
  H     -4.03606450     -2.34543319     -1.05610328
  H     -0.20375547     -6.37989991      1.45187679
  O     -3.58831982     -1.66536958      7.05005708
  H     -3.69856296     -2.53767519      0.43925046
  H      2.43575673     -1.22950782      3.85020836
  O      1.51033845      0.34093545      3.31564577
  H     -4.03165884     -2.52211601      7.00621143
  H      2.77503239     -2.65510474      3.34801003
  O     -3.38459713     -0.31842272      3.01057087
  H     -2.64956303     -1.84679635      6.91277755
  H      0.63517513     -3.22992486      2.46019478
  O      1.67835673     -3.34028882      6.28796248
  H      1.61189932      1.22822492      3.65102487
  H     -0.58815496     -3.17481256      1.52799102
  O     -4.73203285     -4.22798319      6.49837447
  H      0.63855805      0.02623089      3.61185735
  H     -2.06626916     -5.50068280      2.30995869
  O     -0.97780158     -2.40056824      6.24503655
  H     -3.62948469     -1.20316163      2.70397377
  H     -1.58008212     -4.18368929      2.93118205
  O      0.54017743     -5.60329287      4.97882348
  H     -3.96243213     -0.11898338      3.75781019
  H      2.20521965     -3.43961524      1.00752101
  O     -5.81395376     -2.71009663      4.29485350
  H      2.33469179     -3.37727159      6.97857178
  H      2.13348979     -4.66378889      1.98838358
  O     -1.91600828     -0.01751717      0.58075887
  H      2.08698622     -2.87342055      5.53668104
  H     -4.85576963     -2.87621289      2.79188289
  O      1.42082410     -6.30780197      2.50124373
  H     -5.13287424     -4.90546955      7.03696627
  H     -3.55712694     -3.61770475      2.38624043
  O     -1.06102118     -6.30256315      1.01502037
  H     -3.85924315     -4.56333182      6.23278779
  H      2.15351861     -2.36546184     -1.34325418
  O      2.73403739     -2.10001696      4.13890557
  H     -0.06826499     -2.68189916      6.40232321
  H      1.37201177     -1.69815149     -0.18370674
  O     -0.30590174     -3.02166583      2.44048537
  H     -0.94686519     -1.80255183      5.48416996
  H     -0.64707463     -1.60045807      3.38914318
  O     -2.31770343     -4.81308597      2.94181219
  H      0.99088363     -4.88652016      5.44261949
  H     -1.74212718     -0.54818954      3.69896084
  O      2.36607054     -3.72804998      1.91489598
  H     -0.37836965     -5.56303526      5.26610396
  H      1.15426629     -0.00477261      1.45047908
  O     -4.15125873     -2.89955262      2.12740985
  H     -5.69591661     -1.81183564      4.62705378
  H     -0.10913437     -0.11936449      0.56147996
  O      1.61300941     -2.55653804     -0.58197938
  H     -5.52973299     -3.29127182      5.01123053
  H     -0.10599200     -3.31402262     -0.52924472
  O     -0.86101330     -0.84456682      3.96058566
  H     -2.41430276      0.09492601      1.39943888
  H     -1.67875685     -3.22402527     -0.44257588
  O      0.84816843     -0.26987559      0.57705097
  H     -2.38563142     -0.70768774      0.09807767
  H     -4.45821001     -0.61062332      5.96908187
  O     -0.90385104     -3.74339023     -0.19437827
  H      1.89888390     -7.12945536      2.58309423
  H     -5.47644298      0.53735557      5.76794213
  O     -4.98541184     -0.13411424      5.30259108
  H      1.09229148     -6.08911592      3.39199357
  H     -1.78400596     -4.00921896      5.85632278
  O     -2.19537361     -4.86478534      5.66229538
  H     -1.00181517     -5.51130542      0.46108621
  H     -2.32819194     -4.91193040      4.70205015
          69
 Energy    -250.39203026665547     
  O     -6.50792066      0.45289985     -0.20842738
  H     -7.09584278      0.01446763     -0.81812673
  H     -0.90568552      0.63894606     -0.08061137
  O     -2.88569530      4.00322509      5.52441302
  H     -5.64023347      0.01755611     -0.29455139
  H     -4.45665506      5.52132544      1.84098044
  O     -1.86047404      0.71178593     -1.68953222
  H     -3.38985872      3.38444473      6.06797224
  H     -4.93042761      4.97311913      0.47489878
  O     -2.44751919     -1.25882541      1.77338599
  H     -2.09533682      3.53023253      5.24000657
  H     -3.75919106     -0.44166683      2.72252977
  O     -4.01076452      2.58434448      2.21246037
  H     -2.26398797      1.59847989     -1.66625094
  H     -3.82748327      0.15156735      4.14702027
  O     -4.58659263      4.91530471      3.58729877
  H     -1.56675621      0.56534935     -2.58477760
  H     -6.83473587      1.52129977      4.45205648
  O     -5.49325012      3.07969075     -0.02089224
  H     -1.84087061     -0.58459955      1.43885879
  H     -6.90623102      2.95936777      5.00443202
  O     -4.46109243      2.02084366      6.87054974
  H     -2.04016801     -1.59723313      2.58416973
  H     -1.39976972      3.96856180      1.16709615
  O     -3.04077104      3.13462487     -1.51401208
  H     -4.27374533      3.30667424      2.80015629
  H     -2.34931827      2.96294917      1.86337255
  O     -4.05175515     -0.65490061     -0.44128956
  H     -4.15718981      1.73994316      2.65490482
  H     -7.48172529      4.26956622      3.42737423
  O     -6.90806165      0.67827481      2.63551871
  H     -3.97313338      4.72705537      4.31392947
  H     -8.00983880      5.26569754      4.49132498
  O     -0.62607983      0.70886304      0.84048745
  H     -5.48386083      4.92826958      3.94151971
  H     -2.03900911      1.10165668      5.10027304
  O     -4.39156067      5.65822482      0.88439997
  H     -5.92316168      2.24413027     -0.24547756
  H     -3.21658650      0.89592043      6.09118881
  O     -4.32243653      0.06598391      3.32188613
  H     -4.94294214      2.88452273      0.75769238
  H     -0.16960642      1.65351346      4.12866589
  O     -6.61415452      2.06350509      5.21651984
  H     -4.77859164      2.00674368      7.76954647
  H     -1.03020181      2.73342585      3.46893186
  O     -1.41404301      3.19358049      1.73897002
  H     -5.24639394      2.00010162      6.29534539
  H     -7.01551642      3.44902898      1.21222039
  O     -7.29607471      4.66389879      4.29996509
  H     -3.92724994      3.13674638     -1.13345534
  H     -7.43747320      2.41576952      2.25746107
  O     -2.62923678      0.43449127      5.47942958
  H     -2.58083042      3.88934704     -1.12728248
  H     -0.38001758     -1.10701735      3.94588166
  O     -0.85938723      2.30084047      4.31817818
  H     -3.36098061     -0.22974516     -0.96287316
  H     -1.66575509     -1.08134278      4.78513411
  O     -7.58513740      3.33106332      1.97844187
  H     -3.59294802     -1.05661469      0.30801317
  H      1.73988474      0.13838581      3.04884565
  O     -1.15261819     -1.63515941      4.18191151
  H     -6.91167597      0.50552784      1.68553617
  H      0.40261690      0.35352217      2.30849931
  O      0.80253553      0.25128096      3.18776225
  H     -6.04444465      0.35737442      2.93805753
  H     -1.46986812      6.12408566     -0.33637218
  O     -1.87599638      5.30820438     -0.05754593
  H     -0.86455419      1.60459518      1.12424501
  H     -2.75753964      5.53640345      0.28962695
          69
 Energy    -250.39161620831300     
  O     12.30661810     11.18014620    -14.48195000
  H     13.01892579     10.98138530    -15.10138036
  H     15.25431935      6.59495299    -10.76784136
  O     13.79873384      6.15992130    -11.67112774
  H     12.72486828     11.26146189    -13.61309333
  H     13.62256156      9.22525571    -12.80614272
  O     17.95226106      5.08178699    -11.17697049
  H     13.77259209      6.97959837    -12.19236006
  H     14.64716798      8.51540601    -13.72142607
  O     10.19182629      9.53649395    -14.08133490
  H     12.88476393      5.88382621    -11.54130405
  H     15.21325072     10.04541434    -15.58850001
  O     13.84591966      7.86248925    -17.05291030
  H     18.59081742      5.64658636    -11.62981142
  H     15.06407605     11.16879094    -16.63573796
  O     14.83271628      9.09198389     -8.87379880
  H     17.32480904      5.67850049    -10.74835055
  H     10.50578798      4.84382711    -11.38956800
  O     19.51338438      6.79541614    -12.87978466
  H      9.38815836      9.94986976    -14.38433826
  H     11.25976109      5.22656012    -12.68513757
  O     11.89332123      7.52283408    -15.05520221
  H     10.91470044     10.16673529    -14.25654368
  H     10.79753008      7.38526270    -11.65532425
  O     17.04849153      3.41409785    -13.12448210
  H     13.06241156      7.68917362    -16.51348456
  H     10.53435033      8.72635448    -12.39277812
  O     18.25297485      5.39524438    -14.82475592
  H     14.03523221      8.79935179    -16.92656090
  H     15.41903801      4.13355716    -13.66000268
  O     15.81778437      6.43132539    -15.75799431
  H     13.91424129      9.23692791     -9.15000989
  H     14.40756321      5.15641059    -13.08962500
  O     16.03708774      6.98255091    -10.34709925
  H     14.86646366      9.26447868     -7.93536248
  H     12.77723453      4.61123247    -14.29160679
  O     13.82612985      8.38317033    -13.23113342
  H     20.44921016      6.84364068    -13.05359408
  H     11.78920462      5.72881400    -14.68526986
  O     14.56844518     10.52326327    -16.13696803
  H     19.10925566      6.33270968    -13.63653026
  H     11.58687100     10.16817503     -9.19184895
  O     11.05577862      5.51850813    -11.77793148
  H     11.15701616      8.12151509    -14.88755104
  H     11.70633983      9.15591684    -10.35035760
  O     10.78066892      8.34328581    -11.54214147
  H     12.58683483      7.79977180    -14.43718188
  H     16.18167017      8.03205316    -15.02621870
  O     14.66034801      4.68260218    -13.89441551
  H     17.34868915      3.95117568    -12.36935174
  H     16.71026402      8.84585662    -13.79582051
  O     11.84237055      4.85177305    -14.27770675
  H     17.30952205      2.51497627    -12.94490890
  H     14.43233755     10.94636527    -11.70975545
  O     12.22257587      9.69351092     -9.72198496
  H     17.90650229      4.61895016    -14.36773812
  H     13.00221968     10.63330683    -11.19931313
  O     16.18543155      8.90508212    -14.60500530
  H     17.50294919      5.77158722    -15.30441976
  H     16.66182924     10.10507455    -11.41448178
  O     13.50412475     10.88337981    -11.98277589
  H     15.15671033      6.82716610    -16.34464407
  H     15.76198148     10.22628582    -10.17267241
  O     16.04474789     10.69740404    -10.96577406
  H     15.35313998      5.82558264    -15.16375379
  H     18.26927953      8.07073877    -12.40101545
  O     17.47133634      8.56788691    -12.18065744
  H     15.70235938      7.64647531     -9.73379802
  H     16.95718553      8.00681403    -11.58272715
          69
 Energy    -250.39081169175347     
  O     18.63797550      4.67255919    -15.61561369
  H     17.95106604      5.32875417    -15.78885979
  H     15.20820514      9.01621911    -16.69993617
  O     17.13903408      9.28400394     -8.51397459
  H     18.17939286      3.90194951    -15.25789115
  H     15.55822102      8.04947182    -11.56594357
  O     17.48596885      8.68033505    -13.98822343
  H     17.57377492      9.38588101     -7.67218031
  H     14.63662072      7.53401662    -12.68804804
  O     20.57585432      5.32462576    -13.81516120
  H     17.83002616      9.34137739     -9.19925917
  H     17.89058180      2.83715447    -13.40809936
  O     13.07344792      7.37826512    -10.18823462
  H     18.20975287      8.24119462    -13.52004312
  H     17.19165715      1.68876630    -14.17599551
  O     15.78839455      7.23365946     -9.88398475
  H     16.67284286      8.48843096    -13.48723323
  H     13.70535006     10.47573816    -10.33431383
  O     13.30705751      6.30953785    -12.83608232
  H     21.44165836      5.20077752    -14.19462868
  H     12.25099513     10.75821251     -9.88332172
  O     17.21623964     11.06255426    -12.41412381
  H     19.93037703      5.11941064    -14.51525333
  H     16.59288664      5.34304580    -12.20631008
  O     16.54793322      6.57924228    -15.64151596
  H     12.85182363      8.30769872    -10.31925276
  H     16.72151986      6.03625996    -10.81953507
  O     19.19248058      7.28809918    -12.36524361
  H     12.98399577      6.94751213    -11.04955890
  H     13.08910265     10.35036399    -12.34026009
  O     16.21658476     10.24999136    -15.97785959
  H     16.16410391      7.88414513     -9.28083169
  H     14.25424833      9.57917795    -12.96629407
  O     14.70455572      8.23211327    -16.98323575
  H     14.82152690      7.24607403     -9.81117320
  H     15.99443830     10.91428038    -10.92713663
  O     15.31652203      8.19261285    -12.48950304
  H     12.98476373      6.79330674    -13.61275870
  H     15.94125274     10.37085550     -9.48777433
  O     17.26452244      2.63784825    -14.12751396
  H     13.92857609      5.63395787    -13.13822679
  H     14.82022775     13.03733746    -14.22264689
  O     12.77067740     10.25581800    -10.50499356
  H     16.65725761     11.63701853    -12.95216532
  H     14.56905748     11.56889475    -13.79899819
  O     17.21337827      5.54820260    -11.49470586
  H     17.38564060     10.28993203    -12.96828484
  H     15.83776057      5.43137295    -14.39233946
  O     13.57729440     10.24418257    -13.16672416
  H     16.96789963      7.28161270    -15.12870981
  H     15.98181352      3.99127245    -13.84394770
  O     15.40981562     10.80186558    -10.16811317
  H     15.88997351      7.01146612    -16.19982403
  H     19.66694891      4.03380218    -12.64400663
  O     15.24484258     12.18929289    -14.12406052
  H     19.81185062      6.71419829    -12.83236899
  H     18.40658989      4.15039731    -11.76972242
  O     15.54708606      4.83832197    -13.68489938
  H     18.50185975      6.70578925    -12.01255309
  H     13.35728032      8.10327509    -15.63593846
  O     18.98442782      3.50930855    -12.20893491
  H     16.81350370      9.77544756    -15.38480679
  H     12.87492963      8.91008209    -14.41372075
  O     12.76315618      8.07073076    -14.87668585
  H     15.89538434     11.00762384    -15.47484198
  H     18.46015987     10.17889989    -11.18361456
  O     18.84717843      9.51120240    -10.60468545
  H     14.51833423      8.34284469    -17.91200816
  H     19.09554585      8.76455742    -11.16472782
          69
 Energy    -250.38846321309151     
  O     11.67237839     10.40788904    -14.98813406
  H     11.34376492      9.82411075    -14.29381446
  H     19.41389179      7.87486289    -14.68659094
  O     16.33128694      6.49735016    -12.82974631
  H     11.93383130      9.85068166    -15.73120183
  H     14.49003398     11.46560647    -16.11113281
  O     17.22539156     10.43489752    -11.49706013
  H     16.02855168      7.26315113    -13.34260555
  H     15.68862855     10.63627194    -16.62971046
  O     17.24918485      9.89682190    -15.90517603
  H     17.09875502      6.80576545    -12.33177557
  H     16.00881590      9.04782783    -14.88144252
  O     13.88231805      6.85879175    -15.81820028
  H     16.33773173     10.55859045    -11.86444502
  H     14.80479995      8.05527182    -14.83854652
  O     14.26135473      9.15961321     -8.62086888
  H     17.13421279     10.47221833    -10.53644820
  H     11.55500737      8.92848833    -12.16617005
  O     14.02920871      6.49231932    -11.32090497
  H     17.71446981      9.08726750    -16.15867195
  H     10.02961718      8.76089820    -12.35570049
  O     14.72862847     10.64968124    -12.65076980
  H     17.78141126     10.33601958    -15.22923266
  H     17.33984286      8.40610962     -8.75541314
  O     14.97689807      6.38729387     -8.66369790
  H     13.27038227      6.61706062    -15.10450313
  H     17.90287184      7.43278292     -9.80114075
  O     18.47026360      7.41409936    -16.30598539
  H     13.44378651      7.50507866    -16.38484302
  H     12.83928481      6.27871069    -12.80592801
  O     16.47164158      5.74262495    -15.55250412
  H     14.40007181      8.21087836     -8.50596169
  H     11.71890972      7.14110448    -13.41229098
  O     19.79590626      8.23734142    -13.87817834
  H     13.71119972      9.24724917     -9.40968613
  H     18.25206299     10.82090636    -12.92132376
  O     14.78685145     10.90990512    -16.84197572
  H     14.84649863      6.40718182    -11.83428991
  H     19.26733106     11.73165582    -13.64520363
  O     15.36582344      8.62644522    -14.29680640
  H     14.26977428      6.33379358    -10.40018792
  H     19.00840680      7.84788053    -12.29385785
  O     10.85966941      8.76491936    -12.82597506
  H     14.90081323      9.88934536    -13.23233336
  H     17.96837627      8.69753874    -11.52664586
  O     17.45140467      7.46729453     -8.94671537
  H     14.36811715     11.34231884    -13.21665654
  H     16.87992612     10.83162980     -7.99022043
  O     12.32312444      6.41634111    -13.61065075
  H     15.89779205      6.68976574     -8.76363280
  H     15.82281998      9.93721904     -8.67985526
  O     18.75341540     10.93392216    -13.74565657
  H     14.98288064      5.70429099     -7.99863717
  H     13.55742327      9.70128658    -17.16033360
  O     18.39655172      7.83081895    -11.54403447
  H     17.76640442      6.78458828    -16.06825544
  H     12.48874687      9.12071197    -18.11626258
  O     16.73985684     10.26084191     -8.74101804
  H     18.95515217      7.02101810    -17.02688372
  H     13.59005879      9.69411899    -11.62834617
  O     12.83216873      9.05426263    -17.22897137
  H     15.56865748      5.99223875    -15.79113313
  H     13.38910198      8.19179517    -11.24178634
  O     13.01004741      9.08034212    -11.15535279
  H     16.49200966      5.74359292    -14.58626452
  H     12.83377781     11.65329507    -14.72058949
  O     13.57155241     12.28125399    -14.60328955
  H     19.59272215      9.18059734    -13.89205825
  H     13.19925030     13.15684482    -14.66247893
          69
 Energy    -250.38838053073323     
  O     12.32261181     10.59257209    -15.47748811
  H     13.01057027     11.25289833    -15.61311149
  H     20.29281118      7.21363171    -15.12304979
  O     15.92307265      6.91778721    -12.59570421
  H     12.60373960      9.79734191    -15.95264261
  H     15.30575731     11.86232779    -16.03429283
  O     17.84151398     10.79741479    -12.40107026
  H     16.81879923      7.19872814    -12.36595797
  H     14.63137553     13.25295438    -15.98947666
  O     16.55071442     10.63589587    -16.44999086
  H     15.64784398      7.50610125    -13.31330444
  H     15.26862586      9.54495597    -14.08628524
  O     12.82224365      5.82804951    -15.22003588
  H     17.89361917     11.08279830    -11.48054218
  H     14.59439476      8.60551415    -15.16271943
  O     15.02457983     10.82731614     -9.20427481
  H     16.92658460     10.95007885    -12.67875138
  H     11.53351597     10.20038447    -13.99797694
  O     13.92885920      7.62266405    -10.86066044
  H     16.13356128      9.94880931    -15.91383243
  H     10.23040863     10.18565867    -13.16211734
  O     15.21411096     11.09372366    -13.19461644
  H     17.44662119     10.71159774    -16.08758500
  H     18.14067363      8.18294706    -10.31267776
  O     15.32699281      8.07309880     -8.46734180
  H     12.55357241      6.28777148    -14.40368569
  H     17.91699891      9.43152193     -9.44080702
  O     17.15024639      6.93550007    -15.89170083
  H     12.15482676      5.16962421    -15.39603643
  H     12.64956938      7.24078429    -12.19480001
  O     15.55103012      5.04784673    -14.70733118
  H     15.03246236      9.93536985     -8.83353879
  H     11.71766181      8.09803251    -13.07477481
  O     19.54188934      7.68178012    -14.76684096
  H     14.35717067     10.81552589     -9.90117984
  H     19.23305087      9.59906618    -14.99339983
  O     14.57714132     12.36867610    -15.63621676
  H     14.64952278      7.30794332    -11.42806462
  H     18.65267042     10.72368488    -14.11849822
  O     15.38770161      8.75356769    -14.62902486
  H     14.29421006      7.67630884     -9.96956115
  H     18.21064140      9.01780300    -12.26898039
  O     11.14681474      9.92337278    -13.14759582
  H     14.50194457     10.92248174    -12.56223496
  H     18.92175445      7.84410107    -12.97679030
  O     17.83126462      8.46972109     -9.44438180
  H     14.89782383     11.68313289    -13.88918839
  H     17.97030486     12.01287871     -9.06403172
  O     12.13102501      7.22919397    -13.00913825
  H     15.36864063      7.64039879     -7.61890445
  H     16.70195845     11.23820652     -9.49601750
  O     18.89045366     10.49969469    -15.02811805
  H     16.24099603      8.12705259     -8.80073032
  H     16.10824118      9.18996619    -17.79586975
  O     18.41734630      8.07419531    -12.18792123
  H     16.70442693      6.12038068    -15.61638597
  H     16.32829278      7.70050401    -17.49758717
  O     17.65948621     11.32883849     -9.65082909
  H     16.64023499      7.64166112    -15.47086810
  H     12.48155214     10.26551980    -11.90578425
  O     15.75016629      8.31176096    -17.97234389
  H     15.69626951      5.46667247    -13.84831295
  H     13.52762784      9.36074671    -11.21018978
  O     13.30383449     10.28455817    -11.40061959
  H     14.62470751      5.21399403    -14.92096063
  H     14.11989715      8.19812739    -17.15163596
  O     13.40693839      8.25392944    -16.49796333
  H     18.75643810      7.34327113    -15.22882783
  H     13.17110084      7.36096985    -16.21553032
          69
 Energy    -250.38796623116193     
  O     12.18159448     10.19385961    -16.25693417
  H     11.78357995      9.88942202    -15.43177762
  H     16.15158537      5.23534990    -14.75503912
  O     15.91983534      6.35266408    -13.41572670
  H     12.70551349     10.97582796    -16.04536232
  H     19.40361391      6.97692445    -14.25709675
  O     16.99441185     10.24852963    -11.82695233
  H     15.08246391      6.43188314    -12.93903975
  H     20.68143668      7.09242189    -13.39372968
  O     18.68945679     11.11599324    -16.24891439
  H     16.59949136      6.70637771    -12.82832851
  H     16.96238886     11.55068336    -16.91536276
  O     13.59514191      5.77434632    -16.16488680
  H     16.38919891     10.48967147    -12.54410291
  H     15.99277795     10.93330039    -17.94581077
  O     15.07124077      9.74780502     -9.90357185
  H     16.44349361     10.21359452    -11.03194889
  H     16.66245133      8.46197926    -15.79328736
  O     13.76102625      6.79330138    -11.77134926
  H     18.80616512     10.82569281    -15.32650407
  H     15.90430636      7.71045892    -14.64729712
  O     15.11066230     10.66089632    -13.78829123
  H     19.42648609     11.68704935    -16.44967180
  H     11.36300438      8.15354517    -13.97438060
  O     17.94060957      8.58341321    -17.17734211
  H     14.48784624      5.41632157    -16.13670130
  H     10.13865319      9.06526748    -13.72544359
  O     15.74478640      6.92360431     -9.72976142
  H     13.64706466      6.58769522    -16.68451296
  H     12.52296591      6.21249160    -14.75139159
  O     18.69769643      6.35379450    -15.71090127
  H     15.21583561      8.82424126     -9.66790781
  H     12.53091989      6.41377647    -13.21072116
  O     16.30527713      4.77427420    -15.59875105
  H     14.31678766      9.74874919    -10.50801884
  H     18.43914721     10.30651524    -13.02427623
  O     19.77481967      7.38208139    -13.45286318
  H     14.30131153      6.70737075    -10.97712611
  H     19.36464381      9.24792451    -13.66536056
  O     16.09267899     11.65964402    -17.31937310
  H     13.56592146      7.73850149    -11.86633676
  H     18.48429060      7.42983482    -12.13546495
  O     15.87686354      8.47651734    -15.23392773
  H     15.38202189      9.91778563    -14.34881526
  H     17.44363434      8.49967630    -11.70254233
  O     11.08197513      9.08113861    -13.86422509
  H     14.73161432     11.33093927    -14.36818957
  H     15.10751794      8.92557364    -18.41940253
  O     12.00527922      6.55150429    -14.00712055
  H     17.30865037      8.74271520    -17.89027046
  H     15.63446849      9.17347570    -19.85348968
  O     19.05129535     10.15523440    -13.75589071
  H     18.30869575      9.44260408    -16.93079440
  H     13.87539477      9.93804529    -12.67372085
  O     17.67383018      7.56071752    -11.62726660
  H     16.07103658      6.42881534     -8.98216875
  H     12.40980302      9.46085016    -12.59888661
  O     15.85239469      9.28667371    -18.93244556
  H     16.50313023      7.07233575    -10.31836159
  H     14.74368394     12.14457635    -16.34476895
  O     13.23069660      9.50869093    -12.09303982
  H     18.52951415      7.06545958    -16.34442241
  H     13.84695868     13.28079767    -15.79553760
  O     14.01551770     12.34490156    -15.72882742
  H     17.94940688      5.74956914    -15.77728974
  H     13.24421275      8.97738710    -16.98495460
  O     13.96067004      8.37001630    -17.22280406
  H     16.27628499      3.83912350    -15.40769393
  H     14.58094702      8.37961619    -16.47792766
          69
 Energy    -250.38699928052284     
  O     12.25514386      8.93980544    -14.88615100
  H     13.06404434      8.66949517    -15.33716021
  H     19.80200160      8.24132164    -14.22871503
  O     16.73274974      6.36533429    -12.04902707
  H     12.38725897      9.86018035    -14.62942767
  H     15.14211493     10.21123261    -15.91835349
  O     17.53874783     10.75715257    -13.93187955
  H     17.16348057      6.76265850    -11.28133651
  H     16.06515606     11.09357212    -15.04634819
  O     14.94291868      5.38802401    -15.69425904
  H     15.88163872      6.03733791    -11.72927090
  H     16.55694073      9.28267198    -13.52624291
  O     14.15922923      8.45985692     -8.49435059
  H     18.31115974     10.46623049    -14.43526959
  H     16.23094870      7.86185040    -12.93054774
  O     14.32351716      5.67156622    -10.85958327
  H     17.83362082     11.02746252    -13.05311767
  H     10.32007493      6.97899094    -13.34965586
  O     14.07480141     10.09320847    -11.94658838
  H     14.70000234      4.67635776    -16.28090144
  H     11.56352357      7.78610731    -13.79602326
  O     17.66883261      7.92896028    -16.47762403
  H     14.38550539      5.29871798    -14.90001369
  H     16.96039354      8.43033293     -9.76412123
  O     15.48334562      6.10065889     -8.28944479
  H     14.77303342      9.12496209     -8.83021244
  H     16.94394808      7.02625012     -9.11187733
  O     19.52919370      9.62852244    -15.52876848
  H     13.49938334      8.32853197     -9.18827139
  H     12.59918124      5.81595107    -13.43665821
  O     17.57929967      5.82540057    -14.61628174
  H     13.76609653      6.46420247    -10.86020110
  H     13.71139333      5.18447071    -12.58605086
  O     19.74351899      7.54955281    -13.55826093
  H     14.69411760      5.60763607     -9.97137877
  H     18.87916122     11.90928625    -10.90428206
  O     15.25068763     11.10233570    -15.56872324
  H     14.66860401      9.54421114    -12.48480344
  H     18.83909560     10.39116279    -11.21328830
  O     15.85816497      8.63034060    -13.37862136
  H     13.65489760     10.71441440    -12.55141004
  H     19.67221901      8.33617908    -11.92511215
  O     11.24532223      7.11584254    -13.16461837
  H     17.73640024      7.17913303    -15.86848995
  H     19.01491803      8.30487854    -10.51628471
  O     17.46476240      7.60776671     -9.67796199
  H     16.72949917      8.13352467    -16.51140321
  H     16.80006536     10.55191464    -10.33277078
  O     13.37876564      5.24944880    -13.48967165
  H     15.43139048      5.70207918     -7.42508568
  H     15.34368095     10.15303581    -10.64159098
  O     18.33002322     11.22229370    -11.27235899
  H     14.97801873      6.93340342     -8.24851371
  H     15.18060680      8.33934917    -14.97102486
  O     19.54855754      8.84587170    -11.11115382
  H     20.17182568      9.89188162    -16.18148301
  H     14.79951530      7.24072474    -15.98336021
  O     16.05425108     10.04249555     -9.99335846
  H     18.88394587      9.05301559    -15.98006914
  H     13.12007535      8.74023173    -11.25388747
  O     14.84434747      8.19973495    -15.87342939
  H     17.35520375      5.91365863    -13.67738705
  H     12.06590996      7.65598472    -11.55825563
  O     12.69312692      7.95155619    -10.88722775
  H     16.75984498      5.53755576    -15.03773525
  H     13.82490826     11.51476221    -14.64391760
  O     13.02527614     11.58178212    -14.09139277
  H     19.18259179      6.86388331    -13.93435550
  H     12.63648465     12.43362840    -14.26929945
          69
 Energy    -250.38624015098461     
  O     16.24632913     11.55928702    -10.10164329
  H     16.31654500     12.09426633    -10.90248999
  H     17.02103030      6.85929500    -12.64626049
  O     17.93409398      9.15458512    -15.18638908
  H     15.30447432     11.47655812     -9.91449188
  H     14.46178565     10.34197555    -12.57878547
  O     17.35833369      8.63584222    -12.54056590
  H     17.80075487      8.95420314    -14.24797166
  H     14.35619461      9.05058134    -11.71937796
  O     16.98358758     11.85332337    -14.79241364
  H     17.07894721      9.06677987    -15.63469965
  H     12.81757108     11.48064045     -9.10572254
  O     13.54858497      8.53542841    -10.18218961
  H     16.44209074      8.95547141    -12.56089025
  H     13.32456696     10.26616273     -9.91528891
  O     15.52627534      8.99178351    -16.59207148
  H     17.71176157      8.88282667    -11.67787684
  H     13.98905355      5.68101263    -10.94238515
  O     14.91228907     11.73836058    -16.73825220
  H     16.31489318     11.88886342    -15.48854268
  H     13.37180743      5.89964592    -12.33120997
  O     15.42276007      4.53304055    -16.37654130
  H     17.46346043     11.02787797    -14.92164956
  H     12.87838078     10.10506944    -15.00965275
  O     13.60003857      8.31443954    -14.73983132
  H     14.32534764      8.29670784     -9.65069490
  H     12.98831051     11.43370187    -14.21356280
  O     15.75682068      5.19403129    -10.28022673
  H     13.23373030      7.71714221    -10.59209473
  H     16.61999142      8.20516609     -9.24839684
  O     14.27875355      5.70560276    -14.06538797
  H     14.82495314      8.71052909    -15.98608674
  H     15.91332969      6.82369094     -9.33148697
  O     16.74246248      5.93567546    -12.69562770
  H     15.34479949      9.91109850    -16.81871623
  H     17.10974846      4.60697996    -15.42586991
  O     14.75474800      9.42494924    -12.51707158
  H     14.62365903     12.30485628    -17.44823869
  H     18.36415550      5.50678183    -15.43332104
  O     13.36617430     11.23601949     -9.84648866
  H     14.13218157     11.56201495    -16.18104517
  H     18.69209257      9.68418812     -9.40823825
  O     13.23964147      6.08888479    -11.39500914
  H     15.74027062      5.27554604    -16.92129604
  H     17.34445795     10.22172959     -9.94688867
  O     12.86912196     11.06643113    -15.09971889
  H     15.15733513      3.84447050    -16.98026091
  H     16.08699593      7.47358277    -17.46600502
  O     15.83826529      7.71573605     -8.96735377
  H     13.67771686      7.36063439    -14.61007467
  H     17.41475245      6.69949737    -17.45984056
  O     17.89087720      4.84668936    -14.91156910
  H     14.00040755      8.70635036    -13.94863526
  H     16.56358252     12.63118071    -13.31138937
  O     17.92789800      9.44125534     -9.92391713
  H     16.01856498      4.30713767    -10.04724661
  H     16.57211223     13.97730522    -12.55159189
  O     16.48901888      6.63199584    -17.72317932
  H     16.16967281      5.39257529    -11.13898716
  H     18.75364253      7.78031906    -15.99556774
  O     16.24387147     13.08290799    -12.50969575
  H     15.10199219      5.83311018    -13.57223046
  H     19.92489999      7.14005453    -16.77303215
  O     19.04147677      6.97351884    -16.45464605
  H     14.52937198      5.22329706    -14.86288548
  H     13.41162807     11.86599521    -11.62082704
  O     13.65292651     12.00829957    -12.54582355
  H     17.23590606      5.50935603    -13.41166714
  H     14.47583825     12.51618807    -12.55151315
          69
 Energy    -250.38575339726870     
  O     12.29815878     11.66136525    -14.46539918
  H     13.06027719     12.16669643    -14.15816586
  H     14.34042050      4.63420938    -16.53088128
  O     15.02666913      6.29191308    -13.85516876
  H     11.94130581     11.19488948    -13.69957657
  H     18.42529509      6.37165759    -15.31509363
  O     17.39741003      8.97270401    -11.43693867
  H     14.32417661      6.39579588    -13.19958456
  H     19.79067129      5.87122150    -14.78906083
  O     18.69300573     10.95123155    -15.69810074
  H     15.85377780      6.21045177    -13.36214339
  H     15.86673359     12.03373697    -16.70633701
  O     12.27732254      7.30073005    -16.08658870
  H     16.80703529      9.58093145    -11.90826930
  H     17.11251276     11.99339447    -15.79481330
  O     15.59182905      8.54314011     -9.26632763
  H     16.98646071      8.83989716    -10.57486367
  H     16.04560738      8.84793108    -15.60173793
  O     13.30103884      6.66986377    -11.74257821
  H     19.54001842     11.34286338    -15.89525431
  H     15.27017949      7.94447018    -14.58158582
  O     15.51781563     10.49918264    -12.73776256
  H     18.83483210     10.34474020    -14.94929851
  H     11.20841249      9.22833660    -12.79196249
  O     17.08699072      9.16617281    -17.14620142
  H     13.02093247      6.74696041    -16.34512512
  H     10.35554759     10.25528595    -12.01049455
  O     15.44547183      5.81008366    -10.21368117
  H     12.51644696      8.20507239    -16.32916647
  H     11.58930141      7.48638728    -14.40317115
  O     17.32883356      6.44506296    -16.65849487
  H     15.47248725      8.86868516     -8.37743738
  H     11.86270574      7.11972906    -12.91884743
  O     14.61157324      5.54460743    -16.43348142
  H     14.83812416      8.87022096     -9.78529399
  H     18.64472210      9.13374468    -12.87321724
  O     19.03093167      6.39689799    -14.55288966
  H     13.92199834      6.20346349    -11.16448549
  H     19.12415894      8.21878208    -14.02335944
  O     16.26868762     12.44202219    -15.93050704
  H     13.38131061      7.60528500    -11.51124947
  H     17.99145091      6.21158328    -13.02165443
  O     15.39045451      8.85040810    -14.89409932
  H     15.30158716     11.40362746    -12.99158349
  H     17.37111851      7.22312661    -12.02426751
  O     11.24059762     10.08215706    -12.32014265
  H     15.47785407      9.95574628    -13.54025914
  H     14.72867938     11.19039169    -18.91750588
  O     11.31339046      7.66650220    -13.49341908
  H     17.73006924      9.76463916    -16.74320206
  H     14.36321058     10.59403505    -17.53648487
  O     19.07229586      9.13937134    -13.73781275
  H     16.44439810      9.71708118    -17.61141257
  H     12.76773940      9.69781882    -11.33971496
  O     17.32856841      6.30405864    -12.32588932
  H     15.55164667      6.65007530     -9.75007127
  H     14.27985017      9.80653062    -11.64235276
  O     15.09884687     10.93199551    -18.07799123
  H     16.16386295      5.77863043    -10.85842068
  H     14.85800432     13.89377338    -13.51238168
  O     13.63682603      9.40059475    -11.04188959
  H     16.42985596      6.10002024    -16.70595363
  H     15.29038532     12.84494479    -14.56535053
  O     14.75868202     12.97846556    -13.75927971
  H     17.29071774      7.35239667    -16.99200988
  H     12.82948356     10.56372484    -15.75764386
  O     13.28883241      9.93158611    -16.33012769
  H     14.72491140      5.69939785    -15.47870851
  H     13.97226656      9.51712545    -15.78175818
          69
 Energy    -250.38513811141706     
  O     12.97732296      3.35543495    -12.32792132
  H     12.14568645      2.86906151    -12.37623525
  H      9.79587236      3.83298501    -12.32181565
  O     13.13638993      3.48946865     -9.56833452
  H     12.77917224      4.25248738    -12.62745288
  H      8.74505157      7.40489448     -9.78919658
  O      8.52523838      6.96622837    -13.71059058
  H     13.24168320      3.38920196    -10.52545702
  H      8.27923239      8.68371501    -10.53546970
  O     15.27952394      7.32185160     -9.01706570
  H     12.60529556      4.29022740     -9.43941438
  H     12.12305221      6.44431000     -9.70425667
  O     12.42022388      5.90986463     -6.50565333
  H      8.75802677      6.13479559    -13.27747029
  H     10.73369977      5.80427060     -9.39066435
  O     10.35626123      2.11230700    -12.03928098
  H      9.33362733      7.26963863    -14.14291707
  H      9.28078123      6.01511874     -4.95043392
  O     12.09712027      6.02214582    -12.84107021
  H     15.16535893      6.43964458     -8.61908059
  H      9.57197621      6.75866109     -6.27237482
  O     11.26546847      9.51962891    -10.04360619
  H     16.21438244      7.43544925     -9.16615618
  H     11.56354695      2.53096104     -9.28798775
  O      7.72718624      9.11080528    -12.25680009
  H     12.17279391      5.89644360     -7.44551201
  H     10.14419394      2.73422378     -8.70551858
  O      8.94043000      3.86799073     -7.64744260
  H     11.58516474      5.82843521     -6.03673196
  H     14.28661173      8.15396783     -7.60494871
  O     10.43985834      9.93633037    -12.71924436
  H     10.12302630      1.23245218    -12.32191672
  H     13.24148148      7.56281097     -6.64008570
  O      9.65045270      4.78733362    -12.32088267
  H     10.41679427      2.08948010    -11.06730222
  H     14.36558735      4.28720336     -8.41839256
  O      8.73717586      8.37353123     -9.74520304
  H     11.82855659      6.65103934    -13.52238497
  H     14.09351468      5.12927885     -7.15827852
  O     11.66404304      5.80771519     -9.14095075
  H     12.51338577      6.54449114    -12.14083407
  H      8.80609226      4.95863475     -9.17774633
  O      9.62189425      5.88983851     -5.83236471
  H     11.46424220      9.88010195     -9.17111264
  H      9.10918938      5.26685718    -10.69429116
  O     10.64961013      2.21556486     -9.33924874
  H     10.40304851      9.08596814     -9.95908752
  H     12.54137087      8.32617055    -10.51512920
  O     13.64554906      8.39389567     -6.92630983
  H      6.90279348      9.45345929    -12.59073618
  H     13.88590909      7.56082125    -10.22142132
  O     14.76626151      4.93676744     -7.82329785
  H      7.93153350      8.31196413    -12.77627523
  H     12.42665509      9.57086361     -7.16323257
  O      8.94929580      5.65987155     -9.82342896
  H      9.20954134      4.53692553     -6.99819135
  H     11.84464703     10.97266104     -6.85503526
  O     13.07633749      7.55333682    -10.74797690
  H      8.21954253      3.38201336     -7.25219503
  H     10.91601569      8.74239444    -13.90878901
  O     11.67851301     10.16994124     -7.34118212
  H      9.49196133      9.81732562    -12.57890360
  H     11.36006719      8.40720142    -15.35295569
  O     11.06139096      8.01296883    -14.53799219
  H     10.83639522      9.94232869    -11.83891251
  H     10.22937498      8.95331639     -7.03741097
  O      9.51337636      8.30731892     -7.04319309
  H     10.51350208      5.20469432    -12.46324695
  H      9.10490611      8.38322581     -7.91551987
          69
 Energy    -250.38084353684314     
  O     12.15596957     11.64493971    -14.37201082
  H     12.95930402     12.16123173    -14.50330617
  H     15.81037021     10.92036319    -16.80438211
  O     15.23959090      6.71874290    -13.32256394
  H     12.10554531     11.01329604    -15.10397937
  H     14.92240014      9.86970053    -13.82399950
  O     18.01600108     10.03704588    -12.59323255
  H     16.19393290      6.76216131    -13.18247576
  H     13.69770527      9.37230611    -14.65012788
  O     11.56197417      7.01312603    -15.29995141
  H     14.99283371      7.56272492    -13.73554473
  H     11.54931359     11.06590292    -12.87472007
  O     15.83439037      9.70319338     -8.98263441
  H     18.28802363     10.01720946    -11.66758079
  H     10.45791224     11.11515938    -11.77722477
  O     13.77947710      7.36551714    -11.09746630
  H     17.14641226     10.46604215    -12.61148260
  H     17.99911727      6.87446824    -11.20380182
  O     15.53342984     11.16251825    -12.68629593
  H     11.53774760      7.28797081    -14.36521979
  H     18.24195924      7.86829482    -10.05454047
  O     15.98418823      6.68630407    -17.50603856
  H     10.75691880      6.52792723    -15.46187114
  H     12.22694365      7.60676431    -12.11740026
  O     15.53548374      6.85473633     -8.96249208
  H     15.67145143      8.76296537     -8.83262566
  H     11.35017956      8.81337871    -12.50639601
  O     18.14153408      7.47562628    -15.76169588
  H     15.09318734     10.01541490     -9.51624728
  H     19.45622721     10.57698094    -15.44211482
  O     14.14099072      5.81612663    -15.71962071
  H     14.29822668      7.05622015    -11.85595638
  H     18.44096747     10.25333569    -14.32700907
  O     16.24601279     11.64167181    -16.33090494
  H     14.26687249      7.10058762    -10.30861320
  H     17.95007088      8.18840053    -12.85541846
  O     14.59385278      9.14897075    -14.37493889
  H     14.88454403     10.92603827    -12.00774078
  H     18.10867078      7.15597792    -13.98860536
  O     11.25909975     10.66713905    -12.03395045
  H     15.20624000     11.90950070    -13.20237188
  H     18.95885740     10.20805958     -9.17231587
  O     17.92261459      6.97798341    -10.24580807
  H     15.31587898      6.32135014    -16.89787395
  H     17.49507124      9.83953019     -9.51170406
  O     11.55435255      7.90178922    -12.74502394
  H     16.11558095      6.03679892    -18.19124205
  H     15.02094590      9.19341049    -16.15359688
  O     18.54664784     10.32926739    -15.28953747
  H     15.56627491      6.20460589     -8.26605992
  H     15.33910588      8.43362302    -17.45266677
  O     17.95075142      7.23834348    -13.03632893
  H     16.38986619      6.80784997     -9.42893986
  H     12.86442513     10.41714802    -11.12977644
  O     18.41392026      9.78785077     -9.83210293
  H     17.44672937      7.22341929    -16.38076256
  H     13.78454088      9.18595720    -10.96142637
  O     14.99799276      9.27255275    -17.12094516
  H     18.21149163      8.43680258    -15.79243058
  H     15.22270148     12.54845534    -15.27002187
  O     13.74946908     10.14871782    -10.85449714
  H     14.54270037      5.93083091    -14.84693677
  H     14.75428299     13.93014993    -14.75402264
  O     14.65776901     12.99253982    -14.61125104
  H     13.24527417      6.16396284    -15.64123662
  H     13.13849514      9.47442847    -16.72334569
  O     12.35692446      9.56820234    -16.16281653
  H     17.07118410     11.26806121    -15.99715929
  H     12.01653224      8.68013611    -15.99251697
          69
 Energy    -250.37977865166195     
  O     -3.03112233      5.06584726      4.02608039
  H     -3.59272824      5.82524173      3.89755902
  H     -2.18337480     -2.86850835      3.55112444
  O     -2.85870160      2.93097618      2.12530058
  H     -2.14553949      5.30744049      3.69121376
  H      0.00999154     -0.94709510      2.48787399
  O     -2.06843594      3.76454710      6.30189132
  H     -3.08308685      3.63337072      2.74463437
  H     -1.26046000     -0.02714978      2.48865190
  O      1.90572841     -2.22528592      0.54176843
  H     -1.96342429      3.12568105      1.80922962
  H     -3.37241357     -1.92876079      1.55911095
  O      0.76041183      0.64199675     -1.65474853
  H     -2.47241029      4.20771230      5.53915336
  H     -3.29113681     -1.15168983      2.88399960
  O     -0.63688760     -1.44686662     -0.44109104
  H     -2.44411066      4.16458922      7.08270052
  H     -0.38279915      1.33151287      5.26738263
  O     -2.75849889      0.49668636      3.41893107
  H      1.68237747     -2.39987945      1.46546606
  H     -1.59772322      2.00541560      5.96035942
  O     -3.45243442     -1.34203186     -0.27975740
  H      1.06107393     -2.17956184      0.07399375
  H      0.14384249     -2.78986758      3.52957034
  O     -0.95037283      2.71004681     -1.49313729
  H      0.24971680     -0.13186042     -1.37685427
  H      1.39959624     -1.97321366      3.96005664
  O      3.05559229      0.19107560      0.02677379
  H      1.60281468      0.58040072     -1.19122378
  H     -0.16820608      4.10792632      5.80138981
  O     -0.60792224     -1.49257687      6.25763571
  H     -1.58051931     -1.59426908     -0.56424751
  H      1.02204533      3.37134088      5.16220323
  O     -1.53400850     -3.25505256      4.16519703
  H     -0.57178025     -0.96977450      0.40189400
  H      0.78812904      1.00188106      1.90751799
  O     -0.43451263     -0.22020057      2.03001619
  H     -2.88813393      1.34159655      2.96736005
  H      2.18143040      1.26914920      1.29701260
  O     -3.30499790     -2.04674410      2.51303679
  H     -2.30947646      0.69402790      4.25205994
  H      2.59563675     -1.38208462      6.16734255
  O     -1.26326457      1.16162438      5.63374104
  H     -4.19273249     -1.54859317     -0.84420060
  H      1.07544751     -1.26191138      5.88896575
  O      0.93715627     -2.34619264      3.19899891
  H     -3.38148770     -0.37045637     -0.26195480
  H      1.69922656      0.71495388      4.96469638
  O      0.65335234      4.25034837      5.31822482
  H     -0.30449636      1.98732584     -1.59410450
  H      1.49706033      1.63217777      3.72532943
  O      1.52429324      1.63709255      1.89877906
  H     -0.97570483      3.17537580     -2.32478797
  H     -0.37518692      4.95168345      2.36136622
  O      1.96105056     -1.09017569      5.51833563
  H      3.96326754      0.09174065     -0.24712235
  H      0.00423656      5.14525330      3.85308092
  O      1.33872232      1.56213589      4.67732777
  H      2.72211390     -0.70350904      0.22062417
  H     -3.24907181      1.91276771      0.55360121
  O     -0.54610936      5.49923122      3.13843898
  H     -1.05023472     -2.06461544      5.61900983
  H     -2.45158231      1.78715874     -0.75067272
  O     -3.15435712      1.36951155     -0.23790691
  H     -0.97951788     -0.60569177      6.15132404
  H     -0.50318958      3.37686384      0.18079783
  O     -0.32634165      3.55662223      1.11272668
  H     -1.84894246     -4.13004257      4.37695105
  H      0.39323308      2.96853624      1.38040800
          69
 Ord_Energy   -250.379623    
 O    2.52632117     -0.257302016       2.25693488    
 H    3.42991304     -0.561323166       2.10913920    
 H    2.60178471      0.649726152       2.58300805    
 O    5.03764820      0.138673216     -0.906068563    
 H    4.24114847     -0.213945717      -1.33355725    
 H    5.54228401      0.638039947      -1.56131673    
 O    6.22182941       1.99255085      -2.55424500    
 H    6.54279613       2.58080935      -1.85292852    
 H    6.81881523       2.10758567      -3.30335808    
 O    8.85654449       4.61166525      -2.75274348    
 H    8.39291859       5.43738508      -2.94236183    
 H    8.46826553       4.28010368      -1.93164313    
 O    3.72679687       2.42164230       9.95468795E-02
 H    3.91118884       3.23731256     -0.382504165    
 H    4.24355984       1.69788373     -0.273016661    
 O    5.19580793       5.55568743       1.83490896    
 H    5.45612907       5.95146370      0.993186235    
 H    5.86452818       4.88814020       2.02677298    
 O    2.58296466       5.19824171       2.51622152    
 H    3.51412725       5.35303831       2.27420735    
 H    2.34089303       5.89712000       3.11839437    
 O    5.25924873     -0.849850535       1.62673795    
 H    5.70963287      -1.69058704       1.62083673    
 H    5.24974680     -0.531196296      0.707830787    
 O    7.95823526       2.83674622      -4.60196018    
 H    8.63938427       2.49112797      -5.17179823    
 H    8.39146996       3.45158339      -3.98201585    
 O    1.05077529       2.10319066     -0.578835607    
 H    1.97974670       2.20343399     -0.317444921    
 H   0.779691577       1.23468399     -0.256766409    
 O    2.64553094     -0.654542208      -1.95821679    
 H    2.00153971     -0.742644370      -1.24357176    
 H    2.29173636       2.37204991E-02  -2.54551983    
 O    7.03421688       6.74577475      -3.35550523    
 H    6.55934238       6.10859251      -3.91879249    
 H    7.12836456       7.54555225      -3.86595654    
 O    1.55256808       1.67400110      -3.25510025    
 H   0.764232099       1.74281466      -3.78836846    
 H    1.29599273       1.89866638      -2.34461617    
 O    7.19277763       3.73789382     -0.640712798    
 H    7.28512955       3.55616403      0.302097768    
 H    6.74947929       4.59635305     -0.706620872    
 O    3.13158345       2.43579268       2.76655579    
 H    3.39577127       2.40897512       1.83146501    
 H    2.82964468       3.33920789       2.90695953    
 O   0.785689354     -0.575076401      0.228410587    
 H    1.38893402     -0.501726389      0.990743041    
 H    8.77577811E-02  -1.16989446      0.487797260    
 O    3.90736508       3.17426729      -3.63720107    
 H    3.12526798       2.61037374      -3.61157393    
 H    4.64692640       2.67449188      -3.26115847    
 O    7.23319292       3.53485203       2.14874029    
 H    7.96633673       3.68784714       2.73920512    
 H    6.73456430       2.78209233       2.51214719    
 O    5.86935902       4.79916525      -4.86537266    
 H    5.07954025       4.33019495      -4.56715059    
 H    6.55397654       4.12409019      -4.95181894    
 O    1.29867733       4.90143061      -4.81297709E-02
 H   0.973172188       3.99719691     -0.137506172    
 H    1.63747418       4.98808193      0.852842569    
 O    3.67412949       4.80325890      -1.41118050    
 H    3.62173557       4.33836794      -2.25561094    
 H    2.78482747       4.93366385      -1.05065656    
 O    5.90093327       6.19523430     -0.825454116    
 H    6.28597307       6.54068041      -1.63887691    
 H    5.05369949       5.78351545      -1.06818235    
 O    5.74995041       1.51655471       3.13547134    
 H    4.84742355       1.85941684       3.19405770    
 H    5.68031693      0.666457176       2.68515825    
          69
 Energy    -250.37955431169269     
  O     14.48725200     12.24098929    -10.89500787
  H     15.36418377     11.90652883    -10.67193048
  H     13.61225657      5.29812676    -11.60626826
  O     17.23568951      7.75702645     -7.99284137
  H     13.95580681     12.10170624    -10.10121552
  H     14.84273562      8.61957316    -15.44991291
  O     17.55011746      6.95588156    -11.67885967
  H     16.49123787      8.36524285     -7.90158512
  H     15.19520452      7.76803979    -16.69198430
  O     14.24742954      4.99974736     -9.96274871
  H     17.87771006      8.19860194     -8.56232423
  H     10.76289625      9.39971974     -9.40308650
  O     18.85745052      8.84860256    -10.10842813
  H     17.34868208      6.37448874    -10.93368878
  H     11.11827539     10.30357830    -10.60225735
  O     17.00430775      5.42627520     -9.37234783
  H     17.08858029      6.58514823    -12.44749668
  H     15.46756645      9.89554541    -13.87860846
  O     16.72636526     10.72828958    -10.02901698
  H     13.89041685      5.78185987     -9.51926328
  H     14.35110619     10.84258215    -14.34046060
  O     13.10257784     11.58452199     -8.48752028
  H     15.19384422      5.02119320     -9.77980616
  H     11.09339593      9.58970045    -13.03432745
  O     10.60085227      6.54983452    -11.66579106
  H     19.79677855      8.89029553    -10.26966822
  H     12.03840526     10.83350036    -12.83037775
  O     14.99334261      9.50190888     -8.20238874
  H     18.49788963      8.19349238    -10.72952097
  H     13.17929850      7.02497565    -15.30652632
  O     13.57498534      8.37211181    -11.66279758
  H     17.03238887      6.20479307     -8.78857756
  H     12.66408951      6.15565582    -14.14229998
  O     13.30287925      5.74736687    -12.40741861
  H     17.54882248      4.75757291     -8.96447955
  H     11.07157240      7.68558546    -14.41767234
  O     14.83582794      7.71488124    -15.81039670
  H     17.56904896     10.25901505    -10.00631232
  H      9.61462750      8.16845451    -14.61622021
  O     11.03489312     10.29431539     -9.63855732
  H     16.15027037     10.29515082     -9.38040301
  H     10.47407687      7.17033278    -10.03662465
  O     14.94286528     10.15031599    -14.65257837
  H     12.33545152     11.11690914     -8.86533330
  H      9.80705328      7.08819712     -8.64404906
  O     11.53944293     10.14103552    -12.37825117
  H     12.75765146     12.22098046     -7.86701217
  H     15.06903169      5.82635047    -13.26487867
  O     12.37510903      6.66832545    -14.90835481
  H     11.42336761      6.09615207    -11.88294810
  H     15.63236109      6.63703816    -14.44194827
  O     10.35685014      8.21551959    -14.01980302
  H     10.39618841      7.10351780    -12.42835427
  H     13.74862503     12.17320968    -12.47268492
  O     10.48388019      7.54373591     -9.13714594
  H     14.39402507     10.25736059     -8.15323944
  H     13.15982507     12.98493828    -13.64865452
  O     15.89314583      6.11623027    -13.67268320
  H     14.43104495      8.74629017     -8.42974842
  H     13.41762735      7.83586474     -9.97642947
  O     13.29690811     12.09559388    -13.33290336
  H     14.42979784      8.73799712    -11.92114294
  H     12.34933552      7.48685287     -8.91616312
  O     13.30103951      7.50219904     -9.07189517
  H     12.88648681      9.00310359    -11.90500165
  H     16.30498674      9.87006079    -11.56561534
  O     16.10571137      9.28766635    -12.30977028
  H     13.39603294      6.69886375    -12.23105632
  H     16.58579734      8.46393895    -12.15833718
          69
 Energy    -250.37945676895220     
  O     -2.41061167      2.82010360     -3.68704899
  H     -2.97625000      3.36667763     -3.11153558
  H     -4.16689153     -0.15323182      2.47301548
  O     -5.38785762      2.83636281     -0.03487557
  H     -2.50074662      3.17000068     -4.56977065
  H     -0.66838642      2.61147139      1.69841626
  O     -2.89671724     -1.03016460      1.50554223
  H     -6.08854657      2.23279670      0.23467388
  H      0.57877320      2.16783564      2.48320119
  O     -0.08401016     -0.34349219     -1.29724939
  H     -4.58380260      2.29179388     -0.03637183
  H     -0.76142137      3.02839013     -0.66619787
  O     -3.74332517      0.49861365     -2.63953411
  H     -1.93278637     -1.03675850      1.57526130
  H     -1.57835094      4.14226217      0.08086725
  O     -3.92302002     -2.86583583     -0.34118504
  H     -3.16946432     -1.74624827      0.91758711
  H      2.72179189     -0.72994290      0.66480349
  O     -2.14661978     -1.79732380     -2.32078566
  H     -0.18911954     -0.39149544     -0.33876906
  H      3.24294115     -1.48981464      1.90922327
  O     -0.09333820      2.26427491     -2.15486948
  H     -0.74895054     -0.92415067     -1.69492445
  H      2.51370885      1.06849134      1.89843143
  O     -0.19638558     -0.49360357      1.52958408
  H     -3.38277527      1.19709860     -3.19422053
  H      2.34461702      2.27172339      0.95481990
  O      2.69460530     -0.28249945     -1.02579455
  H     -3.49085170      0.74417831     -1.73422871
  H     -2.80349620      2.71432994      4.57830158
  O     -6.78847048      0.62289172      0.96537316
  H     -4.61822357     -2.24943642     -0.63723900
  H     -1.98834596      2.36143232      3.32046360
  O     -4.78753208      0.50704045      2.81460969
  H     -4.31904330     -3.73191885     -0.30324583
  H     -6.09491037     -0.40923023     -0.49798799
  O     -0.38901452      2.14430226      2.50195622
  H     -2.67175375     -2.30806807     -1.69403782
  H     -5.21519847     -0.41746193     -1.78136231
  O     -1.18092266      3.26768610      0.17082335
  H     -2.71579920     -1.06500528     -2.59587684
  H     -2.41981783      1.92551332      0.06872043
  O      2.59765768     -0.84930185      1.62382734
  H     -0.13560363      1.32237832     -1.92145365
  H     -3.01846198      0.53276504      0.50804724
  O      2.28156476      2.00519174      1.88006314
  H     -0.81703368      2.44663997     -2.76655284
  H     -3.15076157      5.33174346      0.77337698
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  H     -0.29166201      0.39400448      1.90270211
  H     -2.42676258      6.60105516      0.25650719
  O     -5.68756973     -0.98359476     -1.15749067
  H      0.72577903     -0.74826536      1.65651279
  H     -3.50790205      4.88552699     -1.41006004
  O     -3.12244756      1.28334525     -0.08902882
  H      2.79690287      0.67497241     -1.08648270
  H     -4.61234098      3.81898837     -1.46193179
  O     -2.58195446      5.68148531      0.06171938
  H      1.77460859     -0.45122148     -1.27666675
  H     -3.72389490      3.82958676      2.51430935
  O     -3.96123492      4.27920551     -2.00792430
  H     -6.11215009      0.58442823      1.66576389
  H     -4.69496932      3.92200431      1.31123415
  O     -4.12124761      4.44576345      1.88814035
  H     -7.62560583      0.43944336      1.38307270
  H      1.57770608      2.54605611     -1.46952283
  O      2.42221778      2.57717975     -0.99235311
  H     -4.23388981      1.22505421      3.14009380
  H      2.93849661      3.26762232     -1.40220204
          69
 Energy    -250.37873988076876     
  O     11.57097952     11.71456384    -15.70298471
  H     10.82924023     12.13609792    -15.27749390
  H     15.90048814      8.12988965    -18.30940373
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  H     11.98906250     11.14106008    -15.03776935
  H     14.42405876     10.18490896    -12.98585464
  O     11.58506403      7.33913956    -16.24759098
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  H     15.89641977     10.68743201    -12.85703904
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  H     17.61543655      9.95561382    -14.73006205
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  H     17.26193189      8.46046291    -14.55340391
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  H     12.29842142      6.73347018    -16.48028857
  H     17.13721043      6.41725881     -9.88692722
  O     14.94602441     11.69915716    -19.42929082
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  H     15.91836850      7.25980918    -10.34082676
  O     17.30993718     11.56114618    -13.76214487
  H     13.85561853      8.15773765    -10.29976308
  H     13.93539022      4.96877082    -17.40491928
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  H     14.34855507      6.45839595    -17.41275469
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  H     12.94133040      6.25047129    -10.87759647
  O     17.49869674      9.12783529    -15.21281557
  H     14.56373720     12.00991749    -18.59670453
  H     14.29185182      5.84558104    -15.06373354
  O     16.50926156      6.52686841    -10.59528836
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  H     17.12614129     12.01954904    -14.60247366
  H     17.67264999      8.85215616    -17.07424166
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  H     15.01497221      5.41548135    -11.09859445
  H     17.59593886      9.75405395    -18.31682826
  O     12.34792940      6.99268216    -10.66072339
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  H     13.60612034      9.77091133    -14.83733695
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  O     17.50498265      8.83788792    -18.02599986
  H     11.53151955     10.38680184    -17.13935266
  H     12.86678041      6.93835495    -13.67877602
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  H     17.18890166     12.32773062    -16.98438402
  O     16.79873347     12.65348632    -16.16430461
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  H     15.84703909     12.69682292    -16.33050833
          69
 Energy    -250.37864950031127     
  O     -5.11863948     -0.39705206      1.31068138
  H     -5.07818538     -0.86636273      2.15484026
  H      0.70389771     -2.08621849     -0.79403503
  O     -3.01366149     -3.86331030      7.06317138
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  O     -2.10262952     -0.79579384      3.99704186
  H     -2.85481498     -4.76963290      6.77187588
  H      1.15996334     -4.76520076      0.43382526
  O     -4.58884519     -1.93741896      3.61449269
  H     -2.25291401     -3.34676277      6.76531791
  H      0.52610521      0.61819469      3.04371804
  O      1.71750421     -1.62796856      5.23840770
  H     -1.76941525     -1.27537532      3.21998124
  H      1.44691087     -0.37579533      2.29612536
  O     -2.72556851     -6.40610831      5.74100929
  H     -1.85726908      0.12378681      3.84835116
  H     -1.37813030     -3.05573690      1.81436280
  O     -0.90537130     -2.50455385      5.77733047
  H     -4.94142647     -2.29090706      4.43988094
  H     -1.66168314     -1.76860336      0.97723719
  O      1.93373903     -4.15167672      3.92652977
  H     -3.76020631     -1.48339990      3.82358695
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  O      1.30597591      0.05886176      3.14599859
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  O     -1.23231246     -2.10125352      1.77704146
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  H     -1.66529687      1.40520133      2.15353769
  O     -1.66298492     -4.82258918      1.89081268
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  H     -4.56829474     -3.41075297      6.41655082
  O     -2.19732796     -1.32276974     -0.72092983
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  H     -4.56173752     -3.28320960      0.32422266
          69
 Energy    -250.37771405722171     
  O     -4.36072155     -0.37995340      2.72049252
  H     -4.12348228      0.41895906      3.21175058
  H     -2.76002400      1.81158988      0.01341658
  O      0.13309042      2.67338242      3.80955580
  H     -3.54461328     -0.87120374      2.54740013
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  O     -2.04179891     -1.63977793      1.88743749
  H     -0.52946597      3.13802917      3.27931137
  H     -6.19063686      3.07370990      1.58195547
  O     -3.61164548      0.69019973     -2.97751473
  H     -0.35084055      2.25786182      4.53338335
  H      2.31986377      0.76615263      2.52229711
  O     -1.85081316     -1.09226721     -1.75555648
  H     -1.51529618     -1.00425063      1.37889921
  H      0.98796706      1.43860391      2.93378315
  O     -4.23380091      0.91213732      0.28452081
  H     -2.33508843     -2.30898424      1.25857005
  H     -5.03697589      4.49334984      2.79877117
  O     -7.85450011      0.58405672      0.00883237
  H     -2.93783395      0.08417547     -2.63403000
  H     -4.97523213      3.14874171      3.55266785
  O     -3.50082742      1.97309202      3.91246067
  H     -4.45916699      0.29747361     -2.73861107
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  O     -3.08478828      3.30815263     -2.53449709
  H     -2.22744201     -1.86654917     -1.32396964
  H     -1.90620949      3.23944044      1.39434486
  O     -5.79706345     -0.50254184     -1.63251950
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  H     -3.90739123      6.60862346      1.77726519
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  H     -7.12562838     -0.77346972      1.19327701
  O     -6.29266351      2.69469289      0.69636202
  H     -8.77654226      0.80158828     -0.09919529
  H     -5.93130459     -1.12516170      2.12216501
  O      1.37284706      0.66460085      2.48388499
  H     -7.40299840      1.40529847      0.27101578
  H     -1.36065331      0.87470216      6.53574392
  O     -5.58146129      3.76344227      3.11954175
  H     -2.97865964      2.52390931      3.31134271
  H     -1.11392867      0.30623867      5.11784701
  O     -1.97621842      3.65395781      2.26623133
  H     -2.89545251      1.68942655      4.60907038
  H      0.29167413     -0.50328675      3.57608925
  O     -3.86183066      5.65655885      1.76917417
  H     -2.77997946      3.69672282     -3.34993014
  H     -0.99860949     -1.32615984      3.41712356
  O     -6.64549858     -1.50832639      1.59309680
  H     -3.30501133      2.38002809     -2.73557493
  H     -3.93828067     -3.26249559     -0.27290076
  O     -1.45268329      1.07649879      5.60870171
  H     -6.57793304     -0.12686250     -1.20455178
  H     -2.71205452     -4.18901657     -0.42725164
  O     -0.42167871     -0.91915152      4.07640584
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  H     -6.38398962     -3.75161914     -0.57841043
  H     -0.87959043      0.95419940      0.20344796
  O     -0.45325582      0.11142159      0.41751770
  H     -6.06966200     -2.57997006      0.38395801
  H     -5.39892767      4.04640606     -0.31112785
  O     -4.73400789      4.67892180     -0.61293869
  H     -2.13001492      2.78883415     -0.99204153
  H     -4.22276884      4.23697790     -1.30099751
          69
 Energy    -250.37745085989957     
  O     -1.73051970      6.02410326     -1.41722540
  H     -2.08555145      5.12389002     -1.53739846
  H     -2.14283892      0.68687757      2.97747445
  O      1.01366748      1.57644629      5.90678503
  H     -2.04662625      6.54269340     -2.15286619
  H     -2.12907282      2.82997273     -2.09049181
  O     -0.93464605      3.13601335      0.72430532
  H      1.01703002      1.88705802      6.80889229
  H     -3.33115541      3.06472200     -1.09527734
  O      1.52074333      2.72015166     -2.26490488
  H      0.64320683      2.29403552      5.36647355
  H     -2.24662100     -0.41803012     -0.57829695
  O      0.29892129     -0.65370158      1.22304076
  H     -0.16578802      2.60945028      0.47835081
  H     -0.74410956     -0.66090324     -0.39247366
  O     -0.02570688      3.42987170      4.16152957
  H     -1.49389469      3.22920401     -0.05733496
  H     -3.87523127      4.85097272      1.87903201
  O      1.05577842      5.31630491     -1.17169164
  H      2.29585081      2.43894651     -2.74523579
  H     -5.19576393      4.54732342      2.62168100
  O     -2.76233434      6.07363755      1.27174763
  H      1.55468421      2.28119772     -1.39712125
  H     -1.83871200      2.61602387      2.13465229
  O      3.04646372      0.86055393      4.03702382
  H     -0.48818267     -0.49778611      1.76316459
  H     -3.11851256      2.98043634      2.91207401
  O     -0.15568783     -0.84295740      4.83421985
  H      0.95127968     -1.06338673      1.80461575
  H     -0.18529566      1.96346580     -2.77445247
  O      2.37970436      5.58610641      1.15667520
  H     -0.84749408      2.99225770      3.89481805
  H     -1.16998891      0.86358757     -2.29251811
  O     -1.96809709     -0.25868744      2.85870953
  H     -0.05596208      4.28719192      3.71580546
  H     -4.29276555     -1.10427047      0.75109072
  O     -2.56982674      3.48137334     -1.52373250
  H      1.16308918      4.48404324     -1.64862568
  H     -3.13971114     -0.41846768      1.51470709
  O     -1.40867602     -0.43879080     -1.05497391
  H      0.13362814      5.58300458     -1.26622282
  H     -4.26850636      1.41511202      0.29462685
  O     -4.42304772      4.13422698      2.24579540
  H     -1.92607613      6.03700845      1.75468405
  H     -4.56234199      2.85499450      0.79839132
  O     -2.31452619      2.45093275      2.96594716
  H     -2.50768485      6.15448145      0.34476315
  H      1.49865940      3.15992077      3.01577296
  O     -1.09363332      1.65208238     -2.85189089
  H      2.47711865      1.07865376      4.78630787
  H      2.43468485      3.94120882      2.05493812
  O     -3.69696358     -0.35889441      0.72150993
  H      2.99081932      1.62113199      3.44475736
  H      1.06307235      0.81107128      0.54297903
  O     -4.49183969      2.30876651      0.00669809
  H      0.59721971     -1.21561797      4.35876875
  H      1.81779582      2.09897873      1.00210068
  O      2.28531240      3.07711944      2.46056420
  H      0.18344322     -0.06094781      5.28580738
  H      2.76363996     -2.22022251      3.27023986
  O      1.41104046      1.66208133      0.24188037
  H      1.94781730      5.50191967      0.28610101
  H      2.52440526     -0.70176810      3.45391578
  O      2.10380791     -1.53772040      3.18387150
  H      3.03494076      6.27321618      1.07390850
  H     -0.47224891      4.66426238      1.65675079
  O     -0.21904729      5.40174812      2.23654631
  H     -1.44800805     -0.54712197      3.62237798
  H      0.65557214      5.67806145      1.94042956
          69
 Energy    -250.37703391916315     
  O     11.89805578     11.18079453    -15.58938310
  H     12.23213361     10.40524947    -16.05925379
  H     14.15962719      5.84607283    -15.70555172
  O     15.24200968      6.73088157    -12.89181784
  H     11.40255813     10.84443487    -14.83286325
  H     16.86147393     11.46091704    -15.81973457
  O     17.05183209     10.98097650    -11.94121173
  H     16.04922265      7.13871041    -12.54638538
  H     15.46142106     12.04933509    -16.12806493
  O     18.19255138     11.31954469    -14.44584293
  H     14.52596041      6.91536376    -12.26955622
  H     14.95402569      8.19723149    -13.92131142
  O     12.32364173      6.43269254    -15.95824201
  H     16.99028001     11.07253564    -10.98264058
  H     15.69510336      8.75589475    -15.14533531
  O     13.99561106     10.29078277     -9.01776662
  H     16.16858540     11.15833078    -12.30041883
  H     10.78049946      9.07540073    -13.43878478
  O     13.13623132      7.53304703    -11.28570521
  H     18.94366542     11.90837034    -14.41152912
  H      9.61630370     10.06567245    -13.19776059
  O     14.63986141     11.28273403    -13.17134819
  H     17.86092398     11.24624171    -13.53614100
  H     16.93332663      9.04161185     -9.21199210
  O     16.72061274      7.81527058    -16.41173990
  H     12.56797242      7.30632836    -16.30724775
  H     17.19904369      7.95481687    -10.26910498
  O     14.31227645      7.44578627     -8.74834723
  H     11.75505201      6.02573330    -16.60785041
  H     11.92105200      7.25636854    -12.72887418
  O     18.69775855      8.45800135    -14.55604885
  H     13.98591707      9.34855844     -8.80830781
  H     11.68546629      6.98927141    -14.24511883
  O     15.10349112      5.76109315    -15.53059227
  H     13.44381940     10.39520272     -9.80421867
  H     18.01608392      8.10257484    -12.91215131
  O     16.17950498     11.52235051    -16.49926979
  H     13.00256694      8.48851968    -11.36446168
  H     17.28791601      9.11492463    -12.01756330
  O     14.98794500      8.95640865    -14.51791920
  H     13.44874881      7.37831467    -10.38541753
  H     16.85989321     11.51962940     -8.44167238
  O     10.55577804     10.02050458    -13.35546729
  H     14.76659951     10.46440658    -13.68040143
  H     15.66111049     10.79747426     -9.10206065
  O     16.87249372      8.09169675     -9.36964991
  H     14.41991645     11.97282830    -13.80720930
  H     15.73736617     10.31574881    -17.66593068
  O     11.32967042      7.43882205    -13.47021269
  H     16.35171800      8.25969826    -17.18213798
  H     15.67448181      9.84042839    -19.13812652
  O     17.48783005      8.17348019    -12.10361371
  H     16.18700339      7.02549863    -16.22742769
  H     13.36590860     10.70519079    -12.05389134
  O     16.61902194     10.96059439     -9.17538202
  H     14.28635188      6.85213915     -8.00309941
  H     11.87344464     10.30350609    -12.03815108
  O     15.44024915      9.59189482    -18.24839221
  H     15.25233480      7.59183272     -8.95950478
  H     13.67180498     13.80326844    -15.48264295
  O     12.67788299     10.29998727    -11.50609779
  H     18.13264577      8.13463706    -15.27182102
  H     13.17516755     12.33648361    -15.46191054
  O     13.95621333     12.90598847    -15.33344314
  H     18.64816187      9.41934812    -14.60761747
  H     13.75275561      8.95350154    -15.82611032
  O     13.22778493      8.93858010    -16.64278178
  H     15.20120983      5.90976296    -14.57903225
  H     13.85171811      9.13593191    -17.35233296
          69
 Energy    -250.37635003342461     
  O     -1.05551990      3.86347055      2.86412614
  H     -0.59521020      3.08187040      3.19412852
  H     -0.66961294      8.33031643      0.70146053
  O     -2.99892105      5.75551290     -0.26412962
  H     -1.83521007      3.58010476      2.36678813
  H     -0.09138375      0.92223795      0.47582087
  O      4.39609156      6.31307344      0.37904997
  H     -2.90788336      6.46330291      0.38566890
  H      1.35278909      1.43292421      0.59122323
  O      2.07005456      7.08851788      1.72052771
  H     -2.15446826      5.74480945     -0.74048284
  H     -0.70688564      4.06589532     -2.29543667
  O     -0.55169639      5.58930427     -1.47449875
  H      5.22232304      6.73768107      0.16434763
  H     -0.96193063      2.56013455     -1.98319302
  O      2.27058461      2.82439830     -0.16194583
  H      3.93194472      6.16144526     -0.46399439
  H      0.63493074      8.20233245     -1.31032586
  O      0.64206074      4.83772087      0.85240757
  H      2.94436246      6.89075100      1.36085899
  H      0.75120247      8.58907184     -2.80703829
  O     -2.26552686      7.75433017      1.61161878
  H      2.08799989      6.95279129      2.67697224
  H      3.07316405      3.82412975      3.19722852
  O     -1.57800509      1.56141356     -0.52009994
  H     -0.09836828      5.35179732     -0.64968415
  H      1.85463119      3.12334645      3.85172781
  O     -0.96240435      6.51152310      3.63313552
  H     -0.12263752      6.37609006     -1.82870967
  H     -2.76177949      3.66860958     -2.68388726
  O     -3.07359716      3.32452318      1.08895203
  H      2.28221522      2.94215772     -1.11747010
  H     -3.57824409      4.59889819     -1.75820085
  O      0.18129149      8.54804776      0.30512047
  H      1.71860761      3.53675477      0.19753485
  H      0.53456436      0.96721398      4.18571023
  O      0.69994295      0.86450870      1.02423372
  H      1.13915505      5.59566168      1.18679053
  H      0.63440556      1.33977493      2.68755909
  O     -0.77202508      3.18330655     -2.69798942
  H      0.08214776      4.51401194      1.56920042
  H      2.35051440      2.99031611     -3.69072804
  O      0.87368270      7.86864963     -2.19561073
  H     -2.81959404      8.43260860      1.99015300
  H      1.02861425      3.29143697     -2.95395906
  O      2.42754261      3.89364313      3.91673256
  H     -1.80506911      7.32817776      2.35714557
  H      2.20393361      6.71579690      5.23490325
  O     -3.65140874      3.84481461     -2.35681750
  H     -2.43266485      1.20412280     -0.78558456
  H      2.01460626      5.50723692      4.28639192
  O      0.55896929      1.70793015      3.58625786
  H     -1.81751738      2.26139664      0.10373464
  H      4.33113869      4.63757248      1.31838438
  O      1.98839034      3.43397713     -2.92722737
  H     -1.07532050      5.56205259      3.47950606
  H      3.60896789      3.31391992      1.05020865
  O      1.80194415      6.45136248      4.41253790
  H     -0.06820528      6.60819703      3.97822826
  H     -5.27119437      1.33624230     -1.09574599
  O      4.11365919      3.79007645      1.72329211
  H     -3.10460989      4.18972817      0.65357865
  H     -4.24678414      2.43500174     -1.45818033
  O     -4.42341434      1.69511136     -0.84994529
  H     -3.69489029      2.75318263      0.62239283
  H      2.31419317      6.65024302     -2.07213187
  O      2.98270660      5.97204211     -1.91351828
  H      0.85608607      8.13517303      0.86376951
  H      2.64575301      5.15553712     -2.29854378
          69
 Energy    -250.37601447898055     
  O     -3.50204896      5.05065729      2.98404345
  H     -3.44092353      4.45996954      2.21388791
  H      0.23305758      3.40710082      2.96100921
  O      1.97747251      9.87496462      0.95934509
  H     -4.21604749      4.72341486      3.52545589
  H     -0.06745882      6.36974835     -2.67776173
  O     -0.29713968      7.95203991     -1.67661217
  H      1.36739404     10.24080201      0.30679491
  H     -0.83859099      5.33514846     -3.55679436
  O      0.64772866     10.04080935      3.32028251
  H      2.00338017      8.92446717      0.77910962
  H     -1.93129845      2.09907934     -2.67381797
  O     -1.62975443     10.25319305      1.58412427
  H     -0.20371091      8.89878052     -1.51509710
  H     -2.52395697      3.21780371     -3.58030092
  O      1.43810725      7.17071907      0.43454413
  H     -1.16591097      7.71058136     -1.32171230
  H      0.91822055      2.61875098     -2.01377722
  O     -2.62194538      6.99581751     -0.50371517
  H      1.08269346     10.58235361      3.97256150
  H      1.13096751      4.06947290     -2.49190447
  O     -2.66388620      7.65658391      2.18814820
  H      1.21271943     10.04439670      2.52587324
  H     -1.65466825      4.80183461      3.45738984
  O     -1.05043752      4.74392060     -0.40865165
  H     -2.17178792      9.48229388      1.79042581
  H     -0.35808168      5.63148034      3.38652997
  O     -3.14016804      3.44553448      0.79602056
  H     -0.94834977     10.28461144      2.26813972
  H     -4.09615756      2.85334591     -1.99983500
  O     -1.09941256      1.45976070      0.79215935
  H      0.87186742      7.35304466     -0.32658746
  H     -5.59077621      2.67437816     -1.63579548
  O      0.75846959      2.69128661      2.55818061
  H      1.64068498      6.22469610      0.43401002
  H     -3.08160974      5.31598155     -3.76997384
  O     -0.09597885      5.44198651     -2.94798692
  H     -2.09421463      6.18785287     -0.40666449
  H     -2.73372380      5.18679546     -5.27402854
  O     -2.75421332      2.47375423     -3.01164213
  H     -2.75292981      7.33240683      0.39107013
  H      1.71589778      3.97573567     -0.35031833
  O      1.55521548      3.34463401     -2.01274388
  H     -3.09787474      6.85877081      2.51315602
  H      1.46902599      3.76810758      1.18921395
  O     -0.69656062      4.73789955      3.53528905
  H     -1.72505364      7.54885420      2.40539117
  H     -4.50942372      4.97996531     -2.06206926
  O     -4.80977144      3.17538160     -1.41750140
  H     -0.80883406      4.83645163     -1.33984117
  H     -3.74644459      6.30052279     -1.79584319
  O     -2.42523412      4.96552322     -4.39972452
  H     -0.21486630      4.64331863      0.06289488
  H      0.26179231      8.20300503      3.18162735
  O      1.59148238      4.42924834      0.49876279
  H     -2.38137373      3.86526252      0.35931806
  H      0.51931642      7.25244170      1.98753461
  O     -4.16519120      5.77299620     -2.48982667
  H     -3.81063769      3.31574475      0.11337297
  H     -0.66507228      1.34249960     -0.89929770
  O      0.03437620      7.33756944      2.82142157
  H     -1.89403185      1.99509645      0.90854887
  H     -0.22719181      0.40471400     -2.04649998
  O     -0.44381183      1.31243025     -1.84678974
  H     -0.45043153      1.80191392      1.41982751
  H     -0.46058047     11.44077867     -1.12809125
  O     -0.22509098     10.60544643     -0.73310007
  H      1.25480380      2.28396857      3.26299513
  H     -0.79282114     10.49734632      0.05105143
          69
 Energy    -250.37534684228655     
  O     -5.86711018      0.47211208     -0.32852700
  H     -5.40045069      1.31373412     -0.42793469
  H     -0.82792845     -1.29677774      3.95933721
  O     -5.24973497      1.30025120     -4.75844409
  H     -6.02816071      0.34969123      0.61563323
  H     -1.26021374      4.59802702      1.30263078
  O     -5.98317846      0.12389338      2.46451760
  H     -5.79747355      0.81785469     -4.11289045
  H     -1.82037258      3.70165352      2.44021839
  O      0.25975843     -0.65152795      1.04127336
  H     -5.83600691      1.59568570     -5.44992420
  H     -3.51806733      2.35709048     -0.31073325
  O     -1.66777929     -1.07348503     -0.95292101
  H     -5.60784978      0.98073847      2.73666547
  H     -4.50574943      3.51402272      0.01711837
  O     -3.52032003     -1.01976533     -4.77697806
  H     -6.71618712     -0.05377424      3.04790157
  H      0.49901406      5.46531180     -0.21303022
  O     -4.29430648     -1.82890648     -0.49724152
  H     -0.31479408     -0.96400875      0.32745765
  H     -0.41065601      4.49643731     -1.00382552
  O     -1.67808489      0.37553568     -3.33463561
  H      0.57270294      0.21552449      0.75673502
  H     -5.32795855     -3.55972962     -3.02765093
  O     -3.34622831      2.61913013     -3.15353103
  H     -2.55322414     -1.44608273     -0.84916919
  H     -4.77261329     -2.47122253     -2.08292284
  O      0.68792627      1.94489846     -0.16147626
  H     -1.63230307     -0.65337590     -1.82303243
  H     -2.14723768      1.71427008      1.90265451
  O      0.72018764      1.61202914     -2.97264950
  H     -4.01641312     -1.64532551     -4.23427020
  H     -1.78187263      1.02426840      3.22054111
  O     -1.27570716     -0.79303962      3.28482054
  H     -4.10994547     -0.26869667     -4.92089557
  H     -4.48045554     -1.08910265      2.40019543
  O     -1.92407239      4.55628817      2.00158962
  H     -4.81854897     -1.01564391     -0.52354206
  H     -2.97227478     -1.40813421      2.58501125
  O     -4.34720857      2.78039367     -0.58814054
  H     -4.09141416     -1.97671397      0.43906493
  H     -2.06955422      0.54806058     -0.15797389
  O     -0.02876757      4.67533031     -0.12572763
  H     -2.19046694     -0.20506126     -3.91558889
  H     -1.14799263      1.76203748      0.00046842
  O     -5.08531431     -2.63808519     -2.98826424
  H     -2.22518476      1.16065799     -3.19050356
  H     -4.88597717      5.63064089      1.51171429
  O     -2.10131998      1.85919410      2.86001492
  H     -3.78677484      2.74095856     -2.30009047
  H     -3.60551598      4.76699291      1.62436842
  O     -3.78508399     -1.71828478      2.17010577
  H     -4.00732789      2.27474692     -3.76716629
  H     -6.49562049      0.06917864     -2.02562716
  O     -2.06326773      1.47493631      0.11260241
  H      0.63409400      2.90126703     -0.03863180
  H     -6.23124061     -1.08734438     -3.01285513
  O     -4.55531682      4.74316780      1.40576080
  H      0.81385282      1.79410549     -1.10859362
  H     -3.87342204      2.24979695      3.16926363
  O     -6.59604522     -0.19612802     -2.95010714
  H     -0.07647484      1.08788727     -3.16569657
  H     -4.88267982      3.26636747      2.60582157
  O     -4.81807372      2.45495240      3.12133560
  H      1.38099356      1.35175342     -3.60900504
  H     -1.78629124      3.63042182     -2.84880251
  O     -0.91274611      3.95063490     -2.58928227
  H     -0.68178764     -0.77265604      2.51299484
  H     -0.29143754      3.26001139     -2.85035608
          69
 Energy    -250.37350362815209     
  O     12.65122135     10.92304367    -15.65050172
  H     13.40471930     11.52178081    -15.66826725
  H     15.55081333      5.70976579    -14.44087794
  O     15.71819837      6.69761356    -12.92745862
  H     12.92701283     10.13752959    -16.14639599
  H     15.84198888     11.83430267    -15.79856063
  O     17.49517061     10.83774399    -11.74654651
  H     16.52942988      7.08942099    -12.57607990
  H     15.33423990     13.26876286    -16.04436332
  O     17.14926403     10.48754707    -15.82640589
  H     14.99696261      6.90370827    -12.31754553
  H     14.67237058      8.82210051    -15.16535066
  O     12.73975257      6.10342415    -15.90644805
  H     17.40619447     10.87996512    -10.78655967
  H     15.44905627      8.16172012    -13.98105388
  O     14.39733081     10.05396312     -8.89555030
  H     16.63047592     11.05693353    -12.12328119
  H     10.33967019     10.35047281    -13.60195236
  O     13.60416850      7.46737851    -11.30925495
  H     16.58556362      9.90099323    -15.29513884
  H     11.73316021     10.39794388    -14.26930056
  O     15.07593825     11.28115717    -12.99823622
  H     17.79699784     10.90178293    -15.23564017
  H     17.66515460      7.78140552    -10.34197937
  O     17.53469372      6.31056680    -16.75546335
  H     12.42931642      6.47881979    -15.06211327
  H     17.36593140      8.79206085     -9.21752070
  O     14.76361807      7.20737802     -8.78328211
  H     12.04879741      5.52738453    -16.22195289
  H     12.46110512      7.17236511    -12.77957821
  O     18.71993532      8.04339840    -14.85591676
  H     14.39493362      9.10076588     -8.74215567
  H     11.64296065      8.17876583    -13.60938356
  O     15.43979548      5.38383633    -15.34584959
  H     13.83711096     10.20476147     -9.66793118
  H     19.88198427     11.23970460    -13.89169931
  O     15.12793841     12.45595801    -15.58879087
  H     13.90621651      7.25976988    -10.41622105
  H     18.53654416     11.29541206    -13.14870670
  O     15.28151614      8.99480391    -14.43623288
  H     13.45930249      8.42368898    -11.33605616
  H     18.36721983      8.00093822    -13.07119901
  O     11.23705541     10.04059373    -13.51111490
  H     15.07396278     10.41735706    -13.44605830
  H     17.82562398      9.03018141    -12.04792913
  O     17.31618858      7.85518609     -9.44443518
  H     15.04165083     11.93024049    -13.70831107
  H     16.06998658     10.53746236     -8.93882314
  O     11.95690229      7.26663989    -13.59744582
  H     16.77775403      5.93168892    -16.27251005
  H     17.27714570     11.20846087     -8.24003348
  O     18.95660188     11.44212307    -14.01112770
  H     17.94744118      5.59194919    -17.22675544
  H     16.66358323      9.34124664    -17.34037645
  O     17.99987427      8.08844684    -12.17934971
  H     14.74649536      6.56381967     -8.08047120
  H     16.70909620      7.81521674    -17.54431494
  O     17.03108481     10.68609982     -8.99853674
  H     15.69969839      7.35049887     -9.01282259
  H     13.78740133     10.70615073    -11.87224920
  O     16.23912515      8.61561812    -17.81352210
  H     18.38597366      7.37806058    -15.47259417
  H     12.33939708     10.20606905    -12.00601016
  O     13.08933042     10.23155239    -11.39836576
  H     18.47610443      8.88702173    -15.24478395
  H     13.36761124      7.71569793    -16.59974655
  O     13.71397769      8.60763498    -16.72298634
  H     14.51578815      5.53593969    -15.57440452
  H     14.53251927      8.55657814    -17.23956727
          69
 Energy    -250.37346940392356     
  O      2.15393564     -1.61889325      3.85367151
  H      2.04298767     -0.65729085      3.87469714
  H      0.32942548      0.05829603      0.57844704
  O      2.85067994      1.69000503      6.51874694
  H      1.52061298     -1.97702208      3.21734033
  H     -2.44344919      2.96479789      2.02421914
  O     -2.24180257     -3.79446584      7.38757620
  H      3.05789101      0.81760105      6.87806459
  H     -2.15601513      1.44659882      2.10713424
  O     -0.59485714     -0.04327584      9.11817462
  H      2.02315064      1.94851008      6.94344964
  H     -1.35448407      0.98030844      5.22197666
  O      2.20703900     -4.71230524      6.22904926
  H     -2.55923707     -2.95529804      7.73828464
  H     -1.25824662      2.09317889      4.14003375
  O      0.14662067     -2.59534915      2.25295122
  H     -1.32866731     -3.88400081      7.69770258
  H     -2.58346223     -0.88027053      2.16097894
  O      0.38201311     -4.73612151      4.13925360
  H     -0.26936136      0.69714256      8.59201862
  H     -1.76038136     -0.41613306      0.94163220
  O      4.11086518     -2.68429694      5.41370083
  H      0.17009678     -0.57658083      9.36265894
  H     -0.04095819      3.08068849      7.82388592
  O      2.93502572     -1.01218012      7.34774451
  H      1.62597946     -4.79873546      5.45673578
  H     -0.21295617      2.14073625      6.61322909
  O      1.68316558     -1.72636878      9.67070277
  H      2.93734514     -4.14475002      5.96311550
  H      1.25469828      1.41821606      2.28334917
  O     -2.32639224     -2.15760278      3.50069255
  H      0.14337034     -2.07130327      1.44262123
  H     -0.07933403      1.93345577      1.71618242
  O     -0.02609499     -0.74414657      0.15547195
  H     -0.70329171     -2.43102380      2.68680021
  H      0.43730340     -2.45059097      6.66473675
  O     -1.85104401      2.32277003      2.40593756
  H      0.40161987     -4.15763454      3.36833193
  H      0.98712371     -1.84533591      5.32275050
  O     -0.88373494      1.79214205      4.97686242
  H     -0.54666640     -4.79025149      4.39549508
  H     -2.38891613     -4.34006719      5.75582484
  O     -2.48623626     -0.16002820      1.52394910
  H      3.47928669     -2.32720744      4.76383175
  H     -2.96686162     -5.40122196      4.79052109
  O      0.18866990      2.21400417      7.49464826
  H      4.93754902     -2.80798353      4.95499140
  H     -2.10487214     -0.77135353      8.65490350
  O      0.74841616      1.50562602      1.46488257
  H      3.50465269     -1.57882066      6.81239644
  H     -3.62588484     -0.91194091      8.90332648
  O      0.50066446     -1.64585620      6.13257464
  H      2.05320090     -1.07803705      6.94881599
  H      1.12622211     -4.18750255      7.50277178
  O     -2.41367479     -4.62541505      4.82452319
  H      2.22628905     -1.76950686     10.45369595
  H      0.87650043     -3.19839066      8.69804342
  O     -2.92773482     -1.15678771      8.30251062
  H      2.26423076     -1.45672556      8.93940016
  H      0.79960981      1.28501275      4.35099958
  O      0.44372814     -3.73376270      8.02483300
  H     -2.47195640     -3.04287304      3.85811976
  H      2.26297322      1.37485307      4.82053687
  O      1.70822388      1.10238260      4.07616569
  H     -2.26950483     -1.56884263      4.26682860
  H     -2.46463676     -0.72109598      6.55754514
  O     -1.96150576     -0.58265062      5.74708707
  H      0.22673304     -0.70773887     -0.76280108
  H     -1.07771330     -0.95483289      5.90814249
          69
 Energy    -250.37291796196689     
  O     11.24864388     11.36783294    -11.88967791
  H     12.10760935     11.57769444    -12.27679803
  H     14.99512592      7.43899411    -17.81040487
  O     13.41735239      7.47129188    -15.15772546
  H     10.70449858     11.03777506    -12.61629195
  H     17.15382964      5.83492602    -15.26309366
  O     17.88696371      9.97005251    -11.71958653
  H     13.75350404      7.07141567    -15.97141173
  H     17.95882995      5.21697922    -16.42690130
  O     17.80896719      8.69247524    -16.86519741
  H     14.19094020      7.84923557    -14.71032969
  H     16.02896854     13.29017520    -15.23679121
  O     12.36530264     10.00843010    -15.22035098
  H     16.93171046     10.02086289    -11.53912148
  H     15.34160685     11.97723784    -15.68961831
  O     15.36506741      6.09685555    -10.03593314
  H     18.32471184     10.45365481    -11.02317686
  H     16.25733888      8.99974285    -14.24702527
  O     12.61398792      6.44649149    -12.72776090
  H     17.77341303      7.76885505    -16.58614224
  H     15.37964928      8.85583363    -12.98856960
  O     15.16325689      9.94183926    -11.50918039
  H     17.89299122      9.23153396    -16.06810199
  H     11.11458389     10.17179716    -10.62189131
  O     15.63656936      9.13866460    -18.41243999
  H     12.64401824      9.08158694    -15.25396108
  H     10.55181869      9.72585032     -9.24973301
  O     14.60089254      4.52741643    -12.08549949
  H     11.45162024     10.01940872    -14.91127823
  H     10.37516606      8.26770070    -11.43996163
  O     17.59722773     10.23847555    -14.52368806
  H     16.21284598      6.48254433    -10.30203065
  H     10.93643937      7.24923036    -12.45610845
  O     14.80183038      6.60842394    -17.35671040
  H     14.72124271      6.81588565    -10.02164317
  H     15.93529484      5.32374870    -13.15338364
  O     17.38357922      5.94380688    -16.20075831
  H     13.18393405      5.68886896    -12.54949395
  H     16.21214214      6.77312754    -13.63568163
  O     15.83689236     12.39803882    -14.96072980
  H     12.81785037      6.74288047    -13.62695149
  H     17.54284823      6.64101257    -12.03943187
  O     15.59496835      8.43505958    -13.82983524
  H     14.62888124     10.54747989    -12.04259387
  H     17.87026231      8.01590915    -11.41882950
  O     11.02221068      9.41328037    -10.01746298
  H     14.56282705      9.32139310    -11.07269651
  H     14.75332796     10.43843008    -17.40173892
  O     10.20185236      7.85605112    -12.29549384
  H     16.45713610      9.02429456    -17.89903495
  H     13.60114334     10.75169604    -16.40706712
  O     16.59491082      5.88325629    -13.58131076
  H     15.89669025      9.27547750    -19.31988237
  H     13.12751811      7.53463219    -11.33576195
  O     17.69883371      7.09367248    -11.20136916
  H     14.87859564      5.01251751    -11.28566408
  H     12.60741868      8.50546615    -10.24318963
  O     14.39373802     11.11919167    -16.81994762
  H     14.51831045      3.61040336    -11.83878553
  H     14.43216527     11.94521057    -13.75476302
  O     13.40097080      8.06739922    -10.57494703
  H     17.85212787     10.20087404    -13.59243680
  H     13.26705936     10.94691666    -13.93593165
  O     13.72486825     11.49372259    -13.27955761
  H     17.07280923     11.04106617    -14.65029407
  H      8.96179191     10.00113918    -14.28612655
  O      9.85984719      9.96287903    -13.96886690
  H     15.65105644      6.28649472    -17.03125569
  H      9.93290753      9.15864336    -13.42360703
          69
 Energy    -250.37237785759831     
  O     16.99232019     11.39045767    -10.01340476
  H     17.53273262     11.87828301     -9.39847240
  H     14.00476011      6.55232234    -14.72545229
  O     11.91706442      7.16718047    -11.49776031
  H     17.29659410     10.46470030     -9.98253300
  H     16.02106681      5.47717651    -14.01225780
  O     17.67988447      9.64046957    -14.78316327
  H     12.28150433      6.32879086    -11.80285148
  H     17.48548619      5.17637675    -14.40431331
  O     17.78441596      7.79055118    -12.67382094
  H     12.55126599      7.52331958    -10.85755256
  H     14.76104044      8.58429548    -11.57020140
  O     13.90335260      8.28624864     -9.95535891
  H     16.85130907      9.61997385    -15.28189974
  H     16.04575343      8.33146203    -12.42091770
  O     15.17266528      9.77240684    -16.13290007
  H     17.54253547     10.31530499    -14.10458794
  H     15.08090262     11.23977547    -10.01625804
  O     14.61663575     11.98533932    -14.58444871
  H     17.87155840      8.36844191    -13.44377808
  H     13.77491161     11.23634831    -10.86018594
  O     15.71484274      5.54524531    -17.12323488
  H     17.57450764      6.90581864    -13.00171690
  H     13.53967472      5.00285685    -13.31520294
  O     11.23191011      9.15472249    -13.15562436
  H     14.61101155      7.84025914     -9.47575538
  H     12.75418736      3.91911051    -12.54404934
  O     15.68109057      5.12170607    -11.10631953
  H     13.96209407      9.24120586     -9.79727322
  H     15.96575580      6.14852287     -9.73688295
  O     13.54319619      8.26045108    -14.51457402
  H     14.56378306      9.17449802    -15.67615320
  H     16.19987019      6.24780763     -8.21085439
  O     14.33116391      5.64176627    -14.76542283
  H     14.98843031     10.64846723    -15.76437635
  H     19.11665380      4.68223949    -16.35739607
  O     16.90944678      5.35248077    -13.64969049
  H     15.39003056     11.93181593    -14.00557326
  H     18.52988892      6.11035355    -16.25504591
  O     15.18024374      8.76099429    -12.42114223
  H     13.86967201     11.86200744    -13.98728088
  H     17.25338319      8.11424236     -9.60351317
  O     14.14586221     10.99981769    -10.00215577
  H     15.79724117      6.40922330    -17.54535916
  H     17.94058202      8.44694040    -10.94044973
  O     13.17091284      4.77196200    -12.44552207
  H     16.60919566      5.29590455    -16.85952464
  H     15.97609260      8.56720275    -19.01477375
  O     16.07306574      6.77305352     -8.99631958
  H     10.31342431      9.07025732    -13.39616833
  H     15.76662811      8.82118197    -17.50563082
  O     18.36465662      5.17455463    -16.03995725
  H     11.42624354      8.43285764    -12.52817848
  H     16.84257539     11.44061195    -11.87041100
  O     17.76510491      8.79562232    -10.05583524
  H     14.78518540      4.97437659    -11.43228240
  H     15.99993171     10.42497973    -12.65947667
  O     16.15290368      8.20441012    -18.15045415
  H     16.24732187      5.08578445    -11.88713381
  H     17.85750302      7.94591962    -17.32637732
  O     16.57940276     11.19548588    -12.76438897
  H     12.66751309      8.54348095    -14.23233736
  H     18.48986473      8.47432286    -16.03027798
  O     18.58296393      7.79209040    -16.70750792
  H     14.13848131      8.44345220    -13.76741272
  H     12.16086571     10.68607183    -12.70086052
  O     12.66210432     11.49004886    -12.49644698
  H     14.70958646      5.51598319    -15.64772046
  H     12.01421182     12.16584241    -12.30318823
          69
 Energy    -250.37203562642222     
  O     10.83929403     10.80921317    -11.31621309
  H     10.14429017     10.84670156    -10.66435012
  H     11.42260468     11.35963760    -16.98600779
  O     14.76690340     10.62516001    -13.02417039
  H     11.68066338     10.82388563    -10.82503489
  H     15.67159464     12.93748089    -15.51073720
  O     17.92224781     12.57315216    -13.68828044
  H     14.27606719     11.45045143    -12.93300859
  H     15.07707550     14.35626019    -15.38591295
  O     11.42467229     12.41036703    -13.55256571
  H     15.57998008     10.75955800    -12.52430249
  H     17.33385469     10.90478134    -16.16269726
  O     13.78724642     15.26898679    -16.36006748
  H     18.11713000     11.90074760    -14.35231206
  H     18.80610148     10.47725108    -16.34831521
  O     15.79512561     11.55034960    -16.75469990
  H     17.22333622     13.12238464    -14.06665808
  H     15.43594011     13.61964378     -9.58452139
  O     14.89539605      8.65613022    -10.08539049
  H     12.26311776     12.80998504    -13.27290317
  H     15.79852538     12.50248777    -10.59334632
  O     13.87778522     13.27316269    -12.79083470
  H     11.09034367     11.92967529    -12.78561795
  H     16.76345074      7.94854665    -14.15088049
  O     14.34398679      9.60118347    -15.51363599
  H     12.91325462     14.92365615    -16.10350475
  H     17.69860490      9.14640798    -14.45976525
  O     17.62646355      8.79746237    -11.11204703
  H     13.67156502     16.19645305    -16.54791348
  H     12.58946172     10.10405740    -15.53382303
  O     13.19350436     10.88254326     -9.98073641
  H     15.24971466     10.82402831    -16.41795035
  H     11.62726127     11.11369427    -14.81976590
  O     11.35711675     11.99901798    -17.71541678
  H     15.24884849     12.04377878    -17.38339828
  H     14.61933907      7.29468184    -13.84458944
  O     15.61033863     13.69986368    -14.91837212
  H     15.82697673      8.66824443    -10.33105146
  H     14.97798916      6.13576569    -14.80694139
  O     18.10846155     10.54218245    -15.70026037
  H     14.44254214      8.21761922    -10.81860809
  H     13.95662566     13.87173482    -17.69966933
  O     15.07214222     13.06470241    -10.26890688
  H     14.27947537     13.37396993    -11.91886371
  H     13.11207925     12.65764897    -18.12666480
  O     17.48758095      8.47849724    -13.79681040
  H     14.53585550     13.48696673    -13.46742352
  H     10.93728142      9.36749679    -12.54577973
  O     11.67520791     10.41852191    -15.49384551
  H     14.54700969      9.99716162    -14.64969427
  H     11.15319688      9.15899796    -14.05881097
  O     15.15017697      7.05561339    -14.62588327
  H     14.57857059      8.66956989    -15.43830700
  H     17.32466681     10.60777645    -11.21382034
  O     13.99866153     13.03607319    -18.18042871
  H     18.35816972      8.29493878    -10.76410378
  H     17.41036493     11.86716104    -12.16101930
  O     11.12486588      8.69485311    -13.21408994
  H     17.60752311      8.63703684    -12.07279182
  H     11.25339887     13.48618596    -16.51349782
  O     16.95009172     11.47650160    -11.40138866
  H     13.77794773     10.11286746     -9.92643637
  H     11.25967406     13.63180186    -14.98047185
  O     11.38963190     14.12378655    -15.80146000
  H     13.76808144     11.65486189     -9.97871706
  H     12.76291968      8.14302713    -12.74861289
  O     13.70788138      8.06677817    -12.55174307
  H     10.68128393     11.67411916    -18.30478143
  H     14.06098542      8.96856869    -12.59015743
          69
 Energy    -250.37178989752448     
  O     12.14511431      9.52580000    -10.81563738
  H     12.46834564      8.64590464    -11.04267907
  H     10.64640129     13.61511319    -10.49052306
  O     10.06416626      6.58467408    -12.35622654
  H     12.57984614      9.80843128    -10.00001792
  H     10.01741514      9.99643831     -7.76725935
  O     12.37939039     11.66526202    -12.45711839
  H      9.53375832      5.88701079    -12.73070083
  H      9.72908501      8.83444347     -8.74231159
  O     13.37886732     10.45751586     -8.51500572
  H     10.28841190      7.19381118    -13.08469235
  H      9.53172014     12.23686124     -8.51767945
  O     14.36372009      7.23706044     -9.31925712
  H     12.26342906     10.87446023    -11.90659571
  H     10.80562331     12.31114598     -7.66713368
  O     14.26110651     14.65305005    -11.02983469
  H     13.32219341     11.87122516    -12.44071455
  H     12.53102767      7.79131926     -6.35578911
  O      8.61057952     11.10188695    -11.84245394
  H     13.11769617      9.75521200     -7.90708333
  H     11.62790501      8.39095379     -7.45835890
  O     15.07618595     12.21217173    -12.04215878
  H     12.96025374     11.28930098     -8.25551837
  H     14.93362050     10.92572607     -9.12486424
  O      9.49522343      8.74951901    -10.62134287
  H     13.75864605      7.46139297     -8.60330878
  H     16.24028707     10.38935762     -9.72691003
  O     15.47146278      9.52013525    -12.82270277
  H     13.81550349      6.94859500    -10.06216669
  H     11.87279613      8.27216876    -14.26350737
  O     15.29667094     13.74427834     -8.47134724
  H     13.30878795     14.52596018    -10.92783607
  H     10.67165181      9.25159690    -14.27200345
  O     11.59847716     13.66622496    -10.64477366
  H     14.63610661     14.52131070    -10.15054683
  H     10.26455287     11.71130279    -14.87579487
  O     10.10053898      9.03726308     -7.87574924
  H      8.78225575     10.25020395    -11.41731308
  H     11.09769796     11.37660542    -13.61574921
  O      9.98685600     11.81426758     -7.77920527
  H      9.08976893     11.08967940    -12.67831516
  H      8.09477324     13.64687460    -10.06335641
  O     12.54577675      8.13903408     -7.24312886
  H     14.88570059     13.14584643    -11.87053499
  H      8.74841793     12.41483221    -10.73362490
  O     15.78615264     11.20778651     -9.49607999
  H     15.34039220     11.84794529    -11.18587997
  H     14.18895151      7.45237616    -14.75454349
  O     10.90836680      8.31674680    -14.24709024
  H     10.39711378      9.10706801    -10.64981526
  H     14.34327912      8.51503364    -13.64441848
  O     10.33218491     11.09799700    -14.14826091
  H      9.52089281      7.93855985    -11.14184837
  H     17.26338836      8.06041359    -10.20601767
  O      8.90041938     13.13843285    -10.09924926
  H     15.85840805      9.18830044    -12.00323857
  H     15.74729614      8.12183686     -9.91229616
  O     13.72179795      7.87809885    -14.04018437
  H     15.40036503     10.47742284    -12.72367629
  H     13.15860744      7.10199034    -12.44294626
  O     16.49259256      8.61363857    -10.30154360
  H     15.60181150     12.88138796     -8.79647395
  H     11.85582351      6.62710745    -11.75001717
  O     12.77377384      6.87767654    -11.58483509
  H     16.00721977     14.10451912     -7.94619341
  H     12.21088492     13.29170422     -8.97851962
  O     12.54127968     13.05333507     -8.09827472
  H     11.80917338     12.97848688    -11.29132660
  H     13.44063605     13.39702788     -8.04891983
          69
 Energy    -250.37178343246057     
  O     -2.43440537     -2.84905037      2.46105574
  H     -1.52974702     -3.09215600      2.69439608
  H     -2.16425916      0.96335386     -2.15625378
  O      0.80928396      1.99892079     -2.55972457
  H     -2.58062858     -1.96670730      2.82633774
  H     -0.54788136     -3.16239471     -0.19197170
  O     -2.20059010     -0.58083647     -1.07189361
  H      1.17170444      2.66338860     -1.94735287
  H      0.61276804     -2.16919419     -0.40931791
  O      0.50875531      1.76980414      4.87306970
  H      1.22313049      2.15520887     -3.40485139
  H     -1.52851029      3.43107460      2.61468075
  O      1.80250045      3.81821279     -0.82498119
  H     -2.53225459     -0.04631646     -0.33589210
  H     -1.38960678      4.76728436      3.36120490
  O     -0.67784074      2.55142398      1.26130844
  H     -2.39912140     -1.50265254     -0.86829447
  H     -3.35232093      4.45862650      0.11171667
  O     -2.38950890      2.04922583      5.06516099
  H     -0.42486210      1.89207671      5.07695742
  H     -2.88784365      4.78731623      1.55082686
  O     -2.47996838     -3.22508882     -0.22215440
  H      0.56564621      0.89621976      4.46588152
  H     -2.15749346      1.65947895      0.98282717
  O     -2.50866012     -0.13623535      3.27188427
  H      1.16581805      4.45427030     -0.46952316
  H     -3.56833109      1.78101825      0.37337463
  O      0.25575530     -0.61135765      3.37199735
  H      2.37187994      3.56357214     -0.08970282
  H      0.75929749      0.37470613     -1.64165374
  O      1.81608880      3.91021520      3.68032668
  H     -0.41787463      3.39532849      0.87072166
  H     -0.39806585     -0.45470872     -1.04708847
  O     -2.06953030      1.88242029     -2.44157481
  H      0.10562166      1.99246389      1.30932096
  H      0.76797892      5.21834037      3.43107998
  O      0.37857261     -2.99828758      0.02578704
  H     -2.89509265      2.32858092      5.82414607
  H      0.38302323      6.70116271      3.67092775
  O     -1.99442821      4.02674971      3.22174463
  H     -2.34327996      2.81112967      4.46216829
  H     -3.31589861      2.72041739     -1.53721039
  O     -2.92670734      5.13569240      0.65266459
  H     -3.03513163     -3.96481719     -0.45252438
  H     -4.79888928      3.15688446     -1.49569183
  O     -3.00854307      1.19794859      0.89934189
  H     -2.54955166     -3.10834254      0.74268703
  H      1.10809531      0.22569099      2.04989250
  O      0.56680077     -0.36657075     -1.05334551
  H     -2.79406699      0.29682242      2.45433151
  H      1.20484694      0.30113861      0.48925772
  O      0.10747824      5.90676676      3.22340519
  H     -2.56274033      0.53018556      3.96813936
  H      0.90586008     -4.07894630      2.97570668
  O     -4.02247993      3.04968848     -0.95263534
  H     -0.69749378     -0.45496812      3.31133681
  H      0.47343972     -3.22894395      1.75532334
  O      1.46569399      0.73791063      1.31160511
  H      0.39203131     -1.56019023      3.26151544
  H      2.67484193      1.99106648      1.40771478
  O      0.39045635     -3.31849973      2.72200443
  H      2.35801566      3.56505438      2.96297943
  H      4.13302253      2.50262385      1.48697217
  O      3.22553950      2.79338306      1.44107068
  H      1.41345957      3.15128497      4.12835961
  H     -1.14258036      5.31577707      0.37412331
  O     -0.18332402      5.23090696      0.48207178
  H     -1.12037253      2.03588890     -2.50990638
  H      0.01556726      5.57476862      1.36225252
          69
 Energy    -250.37168168178721     
  O     -2.15516713      1.31677020      1.62204273
  H     -1.21993941      1.32477629      1.39387274
  H     -0.69683128     -2.07205698     -1.36539539
  O     -2.72467848     -2.60796401      7.73379858
  H     -2.53809444      0.61987709      1.07079994
  H     -2.16706568     -5.67128064     -1.13408404
  O      1.59665716      0.27568035      3.16629112
  H     -2.78626633     -2.38818576      8.65913693
  H     -1.69051555     -4.22710403     -0.85075499
  O     -3.17700038      0.02681797      3.86317564
  H     -3.25624798     -1.94878717      7.25140661
  H      2.71813554     -2.36032920      2.35356579
  O      1.73303789     -4.04041109      4.75408372
  H      2.22748291     -0.44940917      3.24222336
  H      4.08723860     -2.21563862      3.06184214
  O     -4.00283029     -4.61805331      6.11936043
  H      0.85091961      0.03346970      3.73479626
  H      0.09905417     -2.32008716      1.70701521
  O     -0.68459485     -3.12867106      5.89772091
  H     -3.61088000     -0.71769158      3.42342480
  H     -0.67584757     -1.61666382      2.86061508
  O      0.69048594     -6.21665654      3.53944263
  H     -2.87355080      0.62513217      3.16534191
  H     -2.46237385     -4.60808577      1.22561589
  O     -5.83082105     -2.99003668      4.93974615
  H      1.02729624     -3.62804466      5.26902078
  H     -1.88434481     -3.48234988      2.10945872
  O      0.65814542      1.13889035      0.79375476
  H      2.22039973     -3.33255624      4.31757732
  H      1.46671754     -3.66976626      0.82268121
  O      0.74190140     -5.25317023      0.83729556
  H     -3.28914675     -4.99729084      5.58990558
  H      1.55446058     -2.23728015      0.16485262
  O     -1.51512531     -2.57936495     -1.39969794
  H     -3.57691726     -4.05871433      6.78078528
  H     -5.03987063     -2.45056575      3.34353822
  O     -1.80575410     -5.10950865     -0.45398460
  H     -1.27836033     -2.94166720      6.63572376
  H     -3.88354138     -2.95604625      2.45080579
  O      3.14801574     -2.10839578      3.19054951
  H     -1.09237018     -3.84786451      5.39458024
  H      0.73862317     -0.21836575     -0.41532487
  O     -0.78084149     -2.09961316      2.03091620
  H      1.13038730     -5.45709603      3.96413209
  H      1.29511304     -0.60851834     -1.80148164
  O     -2.56784320     -4.17156458      2.07875290
  H      1.18010007     -6.99411433      3.79561077
  H     -0.62023436     -1.55245524      5.02740505
  O      1.76154818     -2.75344100      0.95204817
  H     -6.71528858     -3.29558023      5.12204707
  H     -1.50499201     -0.43917940      4.37426509
  O     -4.45244141     -2.19161431      2.62290063
  H     -5.22148150     -3.63901553      5.33550770
  H     -3.66822979     -1.42584902      1.04117329
  O      0.85929602     -0.96153491     -1.02893761
  H      1.02035364      0.83320004      1.64552021
  H     -2.13028788     -1.38988518      0.98702806
  O     -0.59940909     -0.76662728      4.46508283
  H      0.96198666      2.03633221      0.67862626
  H     -4.93247267     -1.54423436      5.85074287
  O     -2.92806142     -1.12889936      0.49754965
  H      0.65698205     -5.64449631      1.71554601
  H     -3.90750585     -0.44371737      5.52245717
  O     -4.28044732     -0.95624918      6.25186872
  H     -0.11907285     -5.32218776      0.40795030
  H     -2.16971588     -4.93581929      3.63339529
  O     -1.81004200     -5.27381441      4.46725063
  H     -2.15866481     -2.05457128     -0.90182236
  H     -1.00639334     -5.75006887      4.22708383
          69
 Energy    -250.37131724911202     
  O     10.87682462      8.69349138    -13.71431926
  H     11.42168267      8.08171369    -13.18534432
  H     12.73761936     13.71902768    -14.78845976
  O     17.25512413      8.25042835    -14.04975444
  H      9.97268829      8.40466772    -13.62433106
  H     14.08177995      9.14255852    -14.65520624
  O     16.47284324     11.94111197    -11.66294361
  H     17.80556294      8.95818846    -13.68992112
  H     14.60779531      9.84708810    -13.35759247
  O     14.50146087      6.48422700    -16.04366713
  H     16.35692278      8.61886039    -14.09762686
  H     13.04574682      7.30932111    -11.59735476
  O     16.21108350      8.58901785     -8.43521632
  H     16.26253552     12.64375675    -12.28581849
  H     13.02705593      6.37029918    -12.81539256
  O     16.31042784      6.46158013    -12.16352195
  H     15.67137840     11.39621698    -11.59752846
  H     20.59994231      9.12553319    -10.39746299
  O     14.26412547     10.39012069    -11.65609562
  H     13.83384120      7.18449952    -16.08293918
  H     19.19034242      8.49942803    -10.51670865
  O     18.09561121      7.19864691    -10.10588106
  H     15.31659574      6.85733477    -16.39566043
  H     14.08544604      4.30103414    -13.82952943
  O     16.03836057     10.39961465    -16.57635003
  H     16.13044411      8.64012956     -7.48669643
  H     14.37637390      5.64141897    -14.54508213
  O     17.02137367      7.71619134    -16.73680853
  H     16.65095746      9.40872026     -8.72404253
  H     16.46806667     13.15439176    -14.35349798
  O     17.65198109     12.14073283    -15.09293018
  H     16.72301269      7.03469159    -12.82593475
  H     16.09616852     14.57093453    -13.86156294
  O     13.19639472     12.89358879    -14.64096806
  H     15.67244888      5.91403043    -12.63788085
  H     17.78294601     10.95510120    -12.49346108
  O     14.86364683      9.50960876    -14.22375485
  H     13.35904842     10.66217156    -11.86819548
  H     19.04602517     10.10223128    -12.23449198
  O     12.50020228      7.02499187    -12.34129153
  H     14.25309413      9.53040388    -11.21683443
  H     17.20864461     11.29214583    -10.06344238
  O     19.71118996      9.30363821    -10.69271911
  H     17.47959703      7.53854654     -9.44509317
  H     18.39912862     10.36604138     -9.74539984
  O     14.28422537      5.22010784    -13.67137083
  H     17.55039236      6.79365357    -10.79288488
  H     13.23691860     11.72541908    -16.15727146
  O     15.79628090     13.66507684    -13.86524397
  H     16.39678027      9.55425770    -16.87000811
  H     14.24477586     10.95255347    -17.02453074
  O     18.49019475     10.46281400    -12.93662784
  H     15.61101735     10.21252958    -15.72452129
  H     14.97227350      8.08627395     -9.72390781
  O     17.59062363     10.73692001     -9.37114509
  H     17.77565985      7.29725365    -17.14359181
  H     15.13823497      7.39856838    -11.10013451
  O     13.29898732     11.08476244    -16.87660548
  H     17.23823661      7.83196695    -15.79560282
  H     12.24824877     11.70996076    -13.43501971
  O     14.50478839      7.87174899    -10.54090864
  H     18.10808478     11.56211429    -14.46931825
  H     11.47438281     10.39555009    -13.12376266
  O     11.89697549     11.16433181    -12.72066083
  H     17.20474222     11.56686105    -15.73005246
  H     11.98063771      8.65046484    -15.20181743
  O     12.73313470      8.61475741    -15.80470073
  H     14.09037268     13.12884505    -14.34951596
  H     12.79323178      9.46151301    -16.27240162
          69
 Energy    -250.37029401737567     
  O     -3.46013506     -0.17775951      2.99320886
  H     -3.09431212      0.45494155      3.62349167
  H     -2.22329213      3.10067527     -0.84137225
  O      0.97808378      2.96948222      2.93231977
  H     -3.73077912      0.35064483      2.22453288
  H     -7.03525572      2.11703032      1.36380813
  O     -1.52929668     -1.51343281      1.58616390
  H      0.09697135      3.35296066      2.79214082
  H     -6.69849432      1.63352501     -0.07599061
  O     -4.05405269      1.09732291     -2.82210930
  H      1.56354888      3.69740785      3.12732994
  H      1.36194711      1.51578866      1.75092739
  O     -2.12379743     -0.96675401     -2.52992950
  H     -0.72893637     -1.59829474      2.11755139
  H      0.86869784      0.62267347      0.58090369
  O     -4.08858526      1.38915040      0.85285531
  H     -2.19974663     -1.10000960      2.15049395
  H     -4.20893526      2.56807780      4.32144919
  O     -7.16183620      1.54422067      3.12977979
  H     -4.79487404      0.73853316     -2.31536855
  H     -4.76095129      3.77203207      3.53620226
  O     -2.42137557      1.94254913      4.44488038
  H     -3.37308403      0.41358542     -2.80975287
  H     -1.63361382      3.45524179      1.55188907
  O     -3.41348095      3.62513459     -2.15141447
  H     -1.81375701     -1.55800165     -3.21068845
  H     -2.35594264      4.40307500      2.53752055
  O     -5.84000192      0.13263793     -0.90154098
  H     -2.55114352     -1.52117749     -1.85046693
  H     -4.27598685      6.11086412      2.67649255
  O     -5.92774901     -2.38897186      0.33997595
  H     -3.32502220      1.88560022      0.53558999
  H     -4.38349380      4.99845379      1.60667128
  O     -1.80983303      2.74843848     -0.04320826
  H     -4.83316930      1.99983525      0.89745152
  H     -5.15187822     -0.90145615      2.96267442
  O     -6.76479667      2.41710114      0.48592562
  H     -6.40136407      2.03744755      3.48793141
  H     -6.53680187     -0.24873281      2.84878582
  O      1.51348876      0.67664342      1.29796855
  H     -7.88965429      1.69553616      3.72741620
  H      0.32216251      0.06692772      4.29304676
  O     -5.02594149      2.96617600      3.99498910
  H     -1.59397822      1.53226251      4.73597021
  H      0.51945528      1.58810563      4.22141883
  O     -1.60240014      3.80628910      2.45589787
  H     -2.16778811      2.56904168      3.75343632
  H      1.20094530     -0.64087537      2.41038778
  O     -4.03858145      5.20551620      2.49405645
  H     -3.67287381      2.73094556     -2.43978169
  H      1.60350901     -1.90747901      3.20459099
  O     -6.06751556     -1.07821183      2.70375233
  H     -3.29122449      4.14394399     -2.94178270
  H     -4.09616097     -2.45375095     -0.20054085
  O      0.10327452      0.89081289      4.74379063
  H     -6.01090912     -0.77440652     -0.62318109
  H     -2.62883837     -2.24910779      0.26632713
  O      0.87646966     -1.31408749      3.03587326
  H     -5.11391705      0.44067682     -0.33564018
  H     -1.01267226     -0.32217034      0.29130133
  O     -3.18469118     -2.40335299     -0.50959612
  H     -6.48512881     -3.16208115      0.35755768
  H     -1.06351135     -0.10863345     -1.23831456
  O     -0.71422885      0.26433356     -0.42010584
  H     -6.01425786     -1.96172319      1.21133221
  H     -4.52111717      4.25981960     -0.71495152
  O     -5.01658069      4.50319287      0.07506934
  H     -1.36922863      1.91291877     -0.25684840
  H     -5.76994417      3.89750353      0.13075009
          69
 Ord_Energy   -250.368652    
 O    3.80235648       1.38581026      -1.21032465    
 H    2.85545850       1.21436036      -1.11535525    
 H    3.94389009       1.49939549      -2.16064167    
 O    2.81956506      -4.74949932      -3.46781325    
 H    3.73471594      -4.92308378      -3.20733953    
 H    2.81751776      -4.31735229      -4.33065033    
 O    4.30000925      -4.84222889      0.182517618    
 H    3.41143870      -5.17210340      0.361083329    
 H    4.40451670      -4.05185699      0.727300465    
 O   0.992960513      0.981784523      -1.06057549    
 H   0.844043493       1.40494585     -0.206321552    
 H   0.752542853       4.86285016E-02 -0.947164297    
 O   0.861734927      0.888516545      -3.81898904    
 H   0.288320363       1.57331312      -4.15740347    
 H   0.866634071      0.988943636      -2.85260415    
 O   0.432575941      -1.66299474     -0.819818258    
 H  -0.185125709      -2.21602583      -1.31274664    
 H   0.715728760      -2.12897444      -1.99894197E-02
 O   0.806584358       1.86839128       1.58901632    
 H   0.218520328       2.41844225       2.09934235    
 H   0.882310152       1.02120149       2.06471705    
 O   0.319090515      -1.84267950      -4.54739475    
 H   0.549745619     -0.926514387      -4.34877300    
 H    1.07195389      -2.23185301      -5.00615501    
 O    3.72356439       1.32952952      -3.97642803    
 H    2.76515150       1.24821460      -4.05022907    
 H    4.06891108      0.467302233      -4.24273920    
 O    4.30526209      -1.40481746      -4.37052202    
 H    3.68754268      -1.53738999      -3.63452673    
 H    5.15700865      -1.72539651      -4.03981829    
 O    2.66508460      -3.05809093      -5.75221109    
 H    2.83409452      -3.13635659      -6.68743181    
 H    3.32321835      -2.43462253      -5.39722824    
 O    6.37527752      -2.44964814      -2.90072036    
 H    6.11736059      -3.36179376      -2.72006202    
 H    6.10241032      -1.94601810      -2.12134480    
 O   0.652574182      -5.32952642      -1.84119427    
 H    1.38831985      -5.25514793      -2.46541643    
 H   -2.11427989E-03  -4.68033886      -2.12280226    
 O    2.79885411      -2.23436975      -2.19163299    
 H    1.95984578      -2.02329397      -1.76760328    
 H    2.74300289      -3.14347506      -2.50979614    
 O    4.06907558     -0.166269675       3.29396844    
 H    4.02392149      0.580870926       2.66994905    
 H    4.59486198      0.125358656       4.03372622    
 O    4.24085426      -2.34290814       1.51655710    
 H    4.27881384      -1.68810725       2.22356105    
 H    4.56268024      -1.89542639      0.718572140    
 O    1.56813240      -5.57225466      0.678831220    
 H    1.25903451      -6.39047337       1.05765331    
 H    1.20447838      -5.52317905     -0.223945782    
 O   -1.04619777      -3.19085050      -2.63917446    
 H  -0.586990416      -2.73250198      -3.36663246    
 H   -1.96771455      -3.23488116      -2.87918615    
 O    5.34374714      -5.08055210      -2.30407810    
 H    5.00531340      -4.99772739      -1.39370561    
 H    5.94866085      -5.81810760      -2.30295062    
 O    4.91928387      -1.14301288     -0.841937006    
 H    4.19945002      -1.61802101      -1.28729808    
 H    4.68686152     -0.208426997     -0.916155279    
 O    3.68828273       1.88168979       1.55112934    
 H    3.90243268       1.82063758      0.610758185    
 H    2.73802876       2.04506373       1.59049559    
 O    1.50024652      -2.86943698       1.40827620    
 H    2.44865870      -2.67060685       1.42043400    
 H    1.42608798      -3.82255030       1.27659822    
 O    1.25059915     -0.470214397       2.89767122    
 H    1.16867685      -1.33337736       2.47341371    
 H    2.17162323     -0.405534357       3.18169856    
          69
 Energy    -250.36864504127163     
  O     13.52522108     11.55498352    -13.43417491
  H     14.33418724     11.77526661    -12.95834563
  H     19.30795571      7.19883185    -13.87396079
  O     15.01682410      5.70955502    -14.01409160
  H     13.80550655     11.22891705    -14.30113954
  H     16.69663490     11.59633442    -12.69360621
  O     17.63009146      7.44184721    -10.82840837
  H     15.11124625      6.67558861    -14.01592026
  H     16.33362595     12.68492257    -11.65457379
  O     17.89326382     10.90904597    -13.74369209
  H     15.80940494      5.38078518    -13.57057689
  H     15.62817794      8.71646889    -13.02680185
  O     12.92524090      8.20281715    -16.70317401
  H     16.92234654      8.09651948    -10.93769830
  H     15.08705828      9.07608940    -14.43990245
  O     13.99663219      6.49780726     -8.89213505
  H     17.43852650      6.97118766    -10.00818038
  H     12.23421434     10.62078206    -12.78752089
  O     12.79479633      5.93793146    -12.44153117
  H     18.39369292     10.14680626    -13.42656088
  H     10.77015657     10.55979149    -12.28703446
  O     15.64733277      9.24184597    -11.27059076
  H     17.72175022     10.76590214    -14.68114234
  H     16.34386125      4.52414482     -9.81025894
  O     15.01424126      6.21121715    -16.80946811
  H     12.23928133      8.18000622    -17.36563130
  H     16.52881571      4.19762624    -11.30199146
  O     13.32480926      4.12838783    -10.35081548
  H     12.48960603      8.03877406    -15.84673501
  H     11.98936960      7.09649435    -13.69820828
  O     17.19117728      7.70617281    -16.05912944
  H     13.64376634      7.21232656     -9.43684020
  H     11.61851598      8.59238396    -13.70551003
  O     19.10165560      6.42980253    -14.41861525
  H     13.65388493      5.68153495     -9.27861184
  H     20.18489233      8.85140829    -12.21509365
  O     16.00325203     11.89744930    -12.07822022
  H     13.55617726      5.77046971    -13.01846058
  H     18.79559240      8.24260366    -11.93645736
  O     15.54691485      8.39679055    -13.93205944
  H     12.82490419      5.26008562    -11.75620034
  H     17.40953128      5.98426962    -11.99151293
  O     11.54452613     10.02580761    -12.44111869
  H     14.73224080      8.98102552    -11.09277587
  H     18.03073435      5.45179753    -13.29117919
  O     16.02959143      3.94393470    -10.51439954
  H     15.69053856     10.19683693    -11.39905335
  H     15.71186974      6.25568574     -8.66168375
  O     11.77169570      7.83432797    -14.28183254
  H     14.95800478      5.81475843    -15.92902282
  H     16.87750161      5.93520101     -7.69592527
  O     19.33233867      8.68741430    -12.61325592
  H     14.28362889      6.83995148    -16.85492934
  H     17.30172425      9.40603184    -16.48019121
  O     17.37918576      5.23997279    -12.60806094
  H     12.95322756      3.28896724    -10.09383191
  H     17.70852899     10.66908784    -17.27737229
  O     16.65717400      6.02253254     -8.61930867
  H     14.28260062      3.98851321    -10.46363717
  H     13.02400629      7.45827770    -11.45939007
  O     17.21494879     10.37506916    -16.51628155
  H     16.77013586      7.93509089    -15.21582519
  H     12.49606193      8.90485582    -11.31106785
  O     13.10203793      8.26174088    -10.92317657
  H     16.54944534      7.13854017    -16.51032934
  H     15.34968861     10.40835388    -16.12962071
  O     14.48440214     10.30689452    -15.71461689
  H     18.55172232      6.77160407    -15.13580886
  H     13.98135204      9.63849527    -16.20006779
          69
 Energy    -250.36745621970744     
  O     19.18528328      7.40401570    -11.80197876
  H     18.54597741      7.09303886    -11.14714444
  H     12.80668687      6.07003685    -11.47780416
  O     15.24609427      8.07404351    -16.93871667
  H     19.18132152      8.36368357    -11.71328603
  H     16.33806452      7.72267112    -11.72371603
  O     13.36953160      9.01167603    -12.27433024
  H     14.82827722      7.25732672    -16.63997813
  H     16.47745719      8.64060755    -12.99200674
  O     13.60248160     10.16000221    -16.43922109
  H     16.17406753      8.03550549    -16.67718284
  H     17.65563582      5.84530605    -14.11271818
  O     17.43314911      9.86641417    -13.98895212
  H     14.27002844      8.65912622    -12.35513690
  H     18.81339211      6.62043946    -13.42307559
  O     17.97991343      8.13347717    -16.12940054
  H     13.46237956      9.95108613    -12.08049659
  H     14.89052955     11.39897156    -11.30559687
  O     13.72873864      6.86448607     -8.74081755
  H     13.34236600     10.57737958    -17.25610369
  H     13.75750015     12.44454408    -11.44286014
  O     12.02053100      4.15598461    -14.25695863
  H     14.22888754      9.45013679    -16.67340486
  H     17.09107485     10.61640639    -10.71116373
  O     18.72752196     10.26959680    -11.64471632
  H     16.69938121     10.46012292    -14.21425685
  H     16.02547436     10.10953371     -9.70485677
  O     10.68366253      6.38412791    -13.49040703
  H     17.66578529      9.35507768    -14.77251712
  H     12.66307406      8.60149439    -13.87558024
  O     13.69917662      6.05469765    -15.62605205
  H     18.67115216      8.16330442    -16.78538787
  H     12.59810373      9.00579827    -15.36494140
  O     12.23965094      6.77270636    -11.13245353
  H     18.21716309      7.42518142    -15.50262998
  H     14.78715902     11.55852703    -13.63939609
  O     15.89210920      8.03284778    -12.52239505
  H     14.20713447      6.04358054     -8.90919352
  H     14.61938630     11.04775595    -15.09963600
  O     18.50701823      6.27133372    -14.27280542
  H     13.06396895      6.91228488     -9.44022042
  H     14.91207823      8.13561216     -8.54438120
  O     14.12602424     11.66496048    -11.84896273
  H     11.44617221      3.45558022    -14.55384840
  H     15.81377763      8.89002100     -7.54118629
  O     16.21057070     10.79382367    -10.35966002
  H     11.44755756      4.90486049    -14.00973161
  H     15.83683002      6.51227404    -13.40809169
  O     12.31701549      8.32863089    -14.73817332
  H     18.33432401     10.20032874    -12.53314159
  H     15.14494498      5.74044683    -14.55687734
  O     15.25688549     11.40061861    -14.46722853
  H     19.41883820     10.92484851    -11.70272453
  H     16.64278908      7.51624973     -9.52509630
  O     15.68708500      8.72089548     -8.47155119
  H     11.05293498      7.11006652    -14.01131928
  H     16.45377422      6.07052150    -10.05267376
  O     15.78072715      5.64267168    -13.83492821
  H     10.98755743      6.53470842    -12.58566905
  H     14.72423341      4.53865376    -10.58988475
  O     16.95535700      6.88411900    -10.18527087
  H     13.16194775      5.30330184    -15.35042436
  H     15.45327450      3.77106231     -9.46525844
  O     15.23746964      4.64827468     -9.77204614
  H     13.22488469      6.84261196    -15.31913717
  H     14.60523876      4.92712383    -12.69422756
  O     13.86286013      4.62131819    -12.15062231
  H     12.58967280      7.60902323    -11.47714574
  H     13.20476466      4.29123717    -12.77355747
          69
 Energy    -250.36541647070794     
  O     14.08189417      3.88579327    -11.25080476
  H     13.29534974      3.91045995    -11.80938771
  H     11.93595248      9.20082311    -14.14946081
  O     14.75401551     10.50110652    -15.65914835
  H     14.84555479      4.02472181    -11.82603621
  H     15.45662165      9.34751010    -10.09847321
  O     17.70365683      9.78317608    -12.70870579
  H     14.42332249     10.92163617    -16.44865153
  H     15.41964140      8.57948684    -11.42342925
  O     10.64984464      7.87601214    -14.23264226
  H     13.97828915     10.24542023    -15.13107399
  H     14.36058973      7.23904263    -13.08286697
  O     18.97235200      4.57826433    -13.61072846
  H     18.59494170      9.42505574    -12.61987945
  H     13.60554834      7.54462163    -11.72731096
  O     12.34914525      5.64451271    -14.98164857
  H     17.20606414      9.51546687    -11.92249957
  H     11.98647935      4.57611731    -13.66397369
  O     16.81334241      6.27023657    -10.27855631
  H     10.65613857      7.46482030    -13.34909820
  H     11.23839234      3.33672604    -13.11832239
  O     13.75622182      9.98366056     -9.43945160
  H      9.73776121      7.91647321    -14.50770783
  H     21.04386435      8.67998806    -12.37038454
  O     19.03739469      7.00562841    -14.81661779
  H     19.49701716      3.94480626    -14.09208191
  H     19.94910711      7.63928396    -12.03086026
  O     15.82629503     11.82153518    -13.29514934
  H     18.99206789      5.40836845    -14.12108919
  H     15.60136743      7.01453727    -14.72794799
  O     13.54578595     11.33179252    -11.76987427
  H     11.84192634      6.45848176    -14.88355839
  H     15.51842886      5.68515645    -13.91246592
  O     12.73915765      9.70585855    -13.97638192
  H     13.28626211      5.88378733    -14.94561331
  H     16.98946210      8.93166239    -14.16288281
  O     16.02255871      8.88178390    -10.72312199
  H     16.11080600      5.91218009     -9.72309624
  H     16.04056678      9.15887256    -15.35611600
  O     14.13900578      7.92222838    -12.43806207
  H     16.61718253      7.21233101    -10.38290781
  H     19.38064654      5.49713215    -11.95584530
  O     11.77219066      4.08103378    -12.85272483
  H     13.63989053     10.49875575    -10.26001814
  H     18.62277344      6.15384992    -10.78077105
  O     20.14973846      8.42116483    -12.57590212
  H     13.56832524     10.57660954     -8.71734988
  H     11.07182776      5.67803387    -12.06853804
  O     15.01439512      6.28733209    -14.47784698
  H     19.50492077      7.55742411    -14.17681294
  H     11.36843741      6.86504562    -11.12286249
  O     16.63346021      8.50952395    -14.95876052
  H     18.23433681      7.48904799    -15.04798319
  H     17.24453065      4.55486386    -12.98512428
  O     19.46651025      6.15168118    -11.25158206
  H     16.58403343     11.26104906    -13.08390135
  H     16.53673531      5.32155492    -11.83912076
  O     10.80173797      6.57907551    -11.85088080
  H     15.52450752     11.52392399    -14.16119193
  H     14.34938943      4.78198794     -8.23646006
  O     16.37784504      4.76722958    -12.61669679
  H     14.37415639     11.61032946    -12.18794882
  H     14.27757713      4.73996316     -9.78422964
  O     14.45459648      5.31808942     -9.01769356
  H     13.03879078     10.92209112    -12.47963413
  H     13.06755983      8.24656236     -9.74663467
  O     12.80184246      7.36825289    -10.04969558
  H     13.28473800      9.13632123    -13.41015634
  H     13.34926200      6.71682177     -9.59298801
          69
 Energy    -250.36490607725358     
  O     15.92239301     11.99978612    -15.20500580
  H     16.83337578     11.97829503    -14.88858871
  H     17.21054448     10.00974020    -17.78038180
  O     13.29076079      6.19065410    -14.99588598
  H     15.95672727     11.85340991    -16.15848991
  H     17.00461320      8.75622740    -15.91395506
  O     18.77273030      7.62659153    -11.70749003
  H     13.36961798      7.13388882    -15.22248916
  H     16.87330925      8.90998551    -14.36304692
  O     16.06665861      7.19831005    -18.74575270
  H     12.39311616      5.93175776    -15.19010309
  H     14.50904394     11.48102291    -14.36038462
  O     15.11520312      8.85072233     -9.28818210
  H     18.60783958      7.73773747    -10.76046549
  H     13.07901709     11.85764098    -13.90311140
  O     14.46583220      6.65840232    -12.45940187
  H     18.21384386      6.88055971    -11.96759289
  H     16.77701654      4.15690473     -8.88675261
  O     17.36555757      9.70926986    -12.78908371
  H     15.85752500      6.55714115    -18.04333318
  H     15.86384691      5.26526378     -9.46569878
  O     14.34798958      6.13141932     -9.69000359
  H     16.22845344      6.69043418    -19.53647276
  H     14.80229330      8.65158105    -15.38102773
  O     19.72216419      9.80958768    -15.72042285
  H     14.81848801      9.57169450     -8.73812020
  H     13.63433058      9.59319270    -14.99210735
  O     15.50498897      5.47193401    -16.73486907
  H     14.96000206      9.12042902    -10.20805334
  H     19.76144738      7.51093213    -13.36695857
  O     17.58086791      5.85702882    -14.91464663
  H     14.52354625      7.62085709    -12.39047609
  H     19.30002996      6.77825901    -14.63355251
  O     17.69539793      9.20004134    -17.57314668
  H     14.03088530      6.44286029    -13.29230713
  H     17.02193222      5.15183244    -11.32066912
  O     16.53009102      8.44023672    -15.13384913
  H     17.87891141     10.44385482    -13.14497465
  H     16.11116291      5.89740490    -12.32402221
  O     13.70078385     11.13599436    -13.93690698
  H     17.96403111      9.05264270    -12.40433933
  H     17.52354404      6.68988289     -9.12701810
  O     16.77521168      4.92152994     -9.45589528
  H     14.22309468      6.19384655    -10.64693837
  H     16.91440570      8.10037820     -9.13487453
  O     13.84851153      8.80063316    -15.49686507
  H     14.50735053      7.03841092     -9.39873642
  H     15.90640195     12.01117990    -18.71537306
  O     19.93066840      7.43473270    -14.31410689
  H     19.19145831      9.57690850    -16.49178873
  H     15.27895227     10.72379505    -18.12400845
  O     16.99155378      5.50777602    -12.21679655
  H     19.89173895      8.98294390    -15.24382164
  H     14.30436358     10.03313736    -12.54143200
  O     17.75489864      7.62735377     -9.14335960
  H     16.27341652      5.41852678    -16.14877452
  H     15.73564190      9.55475090    -12.20893071
  O     15.96690641     11.39993717    -17.98604993
  H     14.74151052      5.59303462    -16.16029835
  H     19.06243711     11.07859949    -14.80010560
  O     14.80076659      9.43102179    -11.97608066
  H     17.19367485      6.74484034    -14.96923422
  H     19.24398335     12.41136001    -14.03189865
  O     18.60514760     11.73654908    -14.24282399
  H     17.43076557      5.55156119    -14.00956507
  H     13.96535423      9.13817196    -17.32592357
  O     14.24379585      9.32700561    -18.23218119
  H     17.25354108      8.48110471    -18.04336946
  H     14.77294157      8.56764825    -18.50919184
          69
 Ord_Energy   -250.363281    
 O    3.26001716       7.04070139      -17.1457291    
 H    2.77621484       6.20155764      -17.2517815    
 H    3.98229194       7.02376938      -17.7672272    
 O    2.88375878       8.07962227      -11.6889982    
 H    3.06023335       7.79927254      -12.5982656    
 H    2.47767377       8.95542622      -11.7371063    
 O   0.664875865       8.29725838      -17.1195145    
 H    1.57775331       8.00207806      -17.2250690    
 H   0.641478062       8.78733063      -16.2875633    
 O   -3.08093786       9.03246307      -12.2647266    
 H   -2.43836164       8.50750351      -12.7739382    
 H   -3.70948792       9.38171959      -12.8908806    
 O   0.734901071       9.25975704      -14.4662762    
 H    1.04274899E-02   8.69486046      -14.1551895    
 H   0.976159453       9.82367706      -13.7222672    
 O    1.18547344       6.48751879      -7.52212477    
 H    1.26745176       6.48748446      -6.57212067    
 H    1.03591979       5.56238508      -7.79019117    
 O   0.933507085       3.94526482      -8.44070244    
 H    1.79724360       3.79094410      -8.84392738    
 H   0.282910407       3.60438228      -9.06615257    
 O    1.53659666       3.85473537      -11.8815727    
 H   0.794875085       3.38442898      -11.4775925    
 H    2.27121544       3.82497621      -11.2551622    
 O    1.69507790       4.82132292      -17.2301464    
 H   0.800661147       5.10378027      -17.4557610    
 H    1.66955876       4.62092924      -16.2829914    
 O   -3.04983020       6.58447456      -10.7277699    
 H   -2.37576795       6.82125282      -10.0770893    
 H   -3.26473188       7.40883446      -11.1778889    
 O  -0.741568148       7.43287039      -9.32047558    
 H  -0.178642735       7.20623970      -8.57215023    
 H  -0.304301411       7.04950237      -10.0973253    
 O    2.76984715       7.34127998      -14.3846016    
 H    2.06547761       8.00444698      -14.4367533    
 H    3.12620306       7.26197386      -15.2781010    
 O   -1.25672364       5.17894554      -14.8546143    
 H  -0.324044913       4.98229074      -14.6781225    
 H   -1.30053973       5.40571833      -15.7919569    
 O    1.41683674       10.4764662      -11.9962959    
 H    1.67085457       11.3685560      -11.7757998    
 H   0.594906509       10.2895136      -11.5063372    
 O   -1.13736093       7.53131056      -13.4633713    
 H  -0.599931061       7.19768476      -12.7294083    
 H   -1.29609740       6.77257204      -14.0394716    
 O    3.42580795       6.57611561      -9.35052967    
 H    3.32003617       7.18040323      -10.0964260    
 H    2.69129753       6.73032141      -8.74381065    
 O  -0.858906627       9.86430740      -10.6916294    
 H   -1.68179882       9.75086212      -11.1819792    
 H  -0.814380527       9.11306953      -10.0841026    
 O  -0.889670432       6.08471251      -17.5059910    
 H   -1.42216909       6.19686127      -18.2889767    
 H  -0.398435622       6.91626596      -17.3808079    
 O    1.48526955       4.80814791      -14.4481020    
 H    1.91397524       5.66868830      -14.3490915    
 H    1.57496119       4.34818554      -13.6026592    
 O   0.583468318       6.51400661      -11.5479450    
 H   0.844519615       5.59111309      -11.6442194    
 H    1.39160919       7.04360247      -11.5614796    
 O  -0.689467609       2.85503817      -10.5453835    
 H   -1.10538006       2.00159097      -10.4590807    
 H   -1.27525938       3.39280438      -11.1101217    
 O    3.43602037       3.92304158      -9.84417248    
 H    4.28863859       3.53827047      -9.66280556    
 H    3.51488495       4.88014078      -9.67707062    
 O   -2.17495489       4.37021542      -12.1779594    
 H   -2.54107189       5.14951277      -11.7330694    
 H   -2.01903939       4.59963655      -13.0988512    
          69
 Energy    -250.36327528754185     
  O     -3.84895397      1.53969879      4.53377936
  H     -4.12288189      0.70307695      4.93123071
  H     -3.59657823      2.18804914      0.53692635
  O      0.50700355      4.85131415      0.99083170
  H     -4.56577962      2.17301499      4.67381737
  H     -6.76467259      2.69533721      0.34736478
  O     -0.71167513      0.08534819      1.70811083
  H      0.67944968      4.04971029      0.46532541
  H     -6.06432243      3.61331422     -0.65965956
  O     -5.27350651      0.42766354     -1.79104285
  H      1.01370325      5.55387373      0.59225099
  H      1.45305828      1.92906851      0.35141768
  O     -3.10174134     -1.13515075     -1.47967861
  H      0.23593173      0.19737347      1.85340627
  H      0.30398785      1.96652076     -0.67346418
  O     -4.26077724      1.04034856      1.76384521
  H     -0.88077329      0.39283203      0.80505692
  H     -6.40588531      3.87801887      5.19106930
  O     -7.67497775     -1.08251204      2.40183852
  H     -5.88557227      0.46274137     -1.04299520
  H     -5.73831182      3.68951453      3.81012790
  O     -1.43966611      2.22615230      3.42796977
  H     -5.17389257      1.34076293     -2.08564468
  H     -1.94653562      3.70626065      2.47444123
  O     -4.83328733      3.21891660     -2.13619932
  H     -3.10574666     -1.81012163     -2.15300293
  H     -1.28700147      4.77007912      1.57624086
  O     -6.72493611      0.80648144      0.56598186
  H     -3.89957976     -0.59291865     -1.62116409
  H     -5.50262677      4.21831654      1.63270056
  O     -5.09668080     -2.17946312      3.12232183
  H     -3.86535898      0.16833403      1.63353034
  H     -4.10811026      4.59031132      2.23034880
  O     -3.11326266      2.78024631     -0.05851206
  H     -4.16385618      1.26192751      2.69693567
  H     -4.78041822     -1.45485317      6.19566105
  O     -6.47198095      3.60647818      0.21333954
  H     -7.58885322     -0.45829733      3.14550282
  H     -4.94117310     -1.39577320      4.65612164
  O      1.01774344      2.49686940     -0.29644092
  H     -8.50437516     -1.53762248      2.52101317
  H      1.04460149      3.88423479      2.60257521
  O     -6.06966832      3.21446888      4.59486252
  H     -1.26579171      1.47338477      2.84725516
  H      0.28169876      2.90840544      3.51320850
  O     -2.14406426      4.44745706      1.88171693
  H     -2.21902607      2.00339305      3.95461868
  H      2.81855772      0.62708343      2.21503677
  O     -5.03152988      4.43672913      2.45101360
  H     -4.48319623      3.83384997     -2.77527464
  H      1.77540008      1.73926262      2.48190333
  O     -4.92139377     -0.85633585      5.46778506
  H     -4.16507556      3.13231758     -1.43350625
  H     -6.94017821      1.50518706      4.46944585
  O      1.17304171      3.19032236      3.26033955
  H     -5.88218993      0.93487404      1.02962228
  H     -6.50821102      0.11278027      4.97144373
  O      1.96299393      0.94825765      1.94469381
  H     -7.19977716      0.14228810      1.07746141
  H     -3.06564846     -1.44991671      0.36578550
  O     -7.20860449      0.57900161      4.49759514
  H     -5.92944973     -1.90079297      2.72203184
  H     -2.16812359     -1.07532273      1.57895924
  O     -3.03608331     -1.42453379      1.33156667
  H     -4.39916202     -2.04591668      2.46784124
  H     -1.89794272      1.64203137     -0.67279537
  O     -1.26258547      0.94433803     -0.89705046
  H     -2.73377394      3.46716838      0.50442626
  H     -1.78141706      0.20499668     -1.23461479
          69
 Energy    -250.36313496311897     
  O     18.16366301      9.56362468    -11.28037038
  H     18.01463200      8.61099771    -11.19183190
  H     13.43873252      4.99146978    -16.74474554
  O     14.16333750     10.78659328    -16.37193138
  H     18.24653236      9.73046932    -12.22617489
  H     13.50678515      7.75669687    -16.00443175
  O     12.78219056      7.21443601    -12.32027759
  H     14.10545876     11.48752043    -17.01584702
  H     14.25256773      8.94080983    -16.66039649
  O     13.36404820      3.35624803    -13.97440693
  H     14.83324370     11.06033928    -15.72010277
  H     13.65358769      5.71367996    -11.99254282
  O     12.05058604     10.15288654    -14.53590447
  H     13.61505546      7.70186317    -12.41482582
  H     15.04911629      5.14844275    -12.40038483
  O     14.84000501     11.25527168    -11.95164845
  H     12.28473701      7.67597136    -11.63024050
  H     15.07902055      9.48185899    -12.30390900
  O     15.96894098     11.50714748    -14.49003680
  H     13.56322613      3.78554601    -13.13333929
  H     15.83897930      8.16249660    -11.92205826
  O     15.27820427      5.93937746     -9.43293027
  H     14.21156043      3.26436478    -14.42771740
  H     19.04728027      9.76513403    -14.67816093
  O     15.83358025      3.55921354    -15.42367023
  H     12.71878591     10.43430613    -15.17186394
  H     17.68639293      9.06147737    -14.47726991
  O     16.29194653     10.64316711     -9.63768449
  H     11.89530238      9.21655986    -14.71205708
  H     12.61844150      8.82813995     -9.84240234
  O     11.80800981      4.66270418    -15.78785970
  H     13.87891006     11.31243728    -11.86240419
  H     11.82859345      9.69038639    -10.85645870
  O     14.34731370      5.18726505    -17.00759605
  H     15.23658064     11.20632323    -11.07283125
  H     14.99078024      9.27103707     -9.20258889
  O     14.26224283      7.97971708    -16.57010585
  H     16.81016512     11.04599028    -14.39899165
  H     14.63539359      7.76410521     -9.13672278
  O     14.28336657      4.99308977    -11.82927774
  H     15.58850848     11.54848879    -13.60151865
  H     11.84221909      6.46470180    -15.27112527
  O     15.17077593      8.54215202    -12.50550317
  H     14.85330587      5.52365816    -10.20188822
  H     12.27136905      7.25600797    -14.01089118
  O     18.24578874      9.79065057    -14.16081042
  H     15.21537721      5.31505597     -8.71428319
  H     11.38801732     11.88342356    -11.99596990
  O     11.81314930      8.85110107    -10.38208421
  H     16.28331940      2.90664161    -15.95345328
  H     12.01195777     10.82170318    -12.93098962
  O     14.26550492      8.65116661     -9.06585427
  H     15.36763752      4.15145999    -16.04189360
  H     15.90773261      8.16622463    -14.03568194
  O     12.07859516      7.34522329    -14.95716911
  H     16.69554712     11.15357528     -8.94058162
  H     15.75363687      7.85731427    -15.53994327
  O     12.05606928     11.20398048    -12.03562299
  H     17.01673217     10.30354899    -10.19266612
  H     17.14694551      6.35051805    -11.93090190
  O     16.39553180      7.86090085    -14.81902558
  H     12.28561397      4.17071024    -15.09631857
  H     16.66355301      6.59784094    -10.47612697
  O     17.18567612      6.97638722    -11.19533758
  H     11.06302789      4.12529669    -16.04308187
  H     16.44003261      4.70043597    -14.08794474
  O     16.56085725      5.43082512    -13.46852673
  H     14.41009624      6.15037390    -17.03145103
  H     16.55152909      6.23550007    -14.00695228
          69
 Energy    -250.36303258033075     
  O     16.64519404      5.21242004     -9.31464893
  H     16.49605929      5.94176336     -8.69913901
  H     16.82666352      7.88339788    -14.12592610
  O     15.97744645     10.49298171    -12.49879847
  H     15.92514252      4.58050733     -9.18516674
  H     13.27110130      5.04265836    -13.51382089
  O     12.97078610      6.42494693    -12.40217325
  H     15.97541896     10.09774657    -11.61723321
  H     13.27357968      4.46775228    -14.96039635
  O     12.95105867      4.99155147    -16.73054945
  H     15.08799280     10.84455588    -12.62454970
  H     16.18512830      6.53369216    -12.20889059
  O     13.16055536     10.96541428    -12.95924362
  H     13.86807586      6.44630323    -12.03054100
  H     15.87376931      6.05091651    -10.77040814
  O     15.54325235      8.98668214    -10.12329266
  H     12.36542912      6.65962430    -11.68962880
  H     17.99612482      4.88005848    -10.62061213
  O     14.59600410      2.87952350    -11.81829571
  H     12.93913133      5.96476127    -16.76764518
  H     18.14452560      3.93240755    -11.82667824
  O     15.79020740      5.21474494    -17.28710762
  H     12.28423363      4.68513022    -17.33954124
  H     11.93985098      8.23956034    -10.26299033
  O     15.71599992      7.40678409     -7.76157479
  H     12.70837878     11.58458145    -13.52610109
  H     10.59879262      7.50934221     -9.99684587
  O     13.16036462      7.69316727    -16.79240827
  H     13.19851679     10.12023772    -13.43954121
  H     13.58064274      5.28692976     -8.72652205
  O     15.96443988      8.08631493    -17.15355295
  H     15.71233517      8.65157139     -9.23575181
  H     12.71057693      6.54402103     -8.98725948
  O     16.29598142      8.61379262    -14.47389578
  H     15.52784614      8.19939566    -10.68824615
  H     14.46410252      8.48926823    -14.23375998
  O     13.58762339      4.30919649    -14.06124298
  H     15.49736885      2.68461603    -12.10267787
  H     13.24328511      7.80161856    -13.54710804
  O     15.52940673      6.57907937    -11.50147956
  H     14.14512602      3.25535657    -12.58430735
  H     12.84347016     10.22399211    -11.24736277
  O     18.48230487      4.75261283    -11.44538541
  H     14.83682069      5.07256662    -17.23180428
  H     13.77136377      9.51134389    -10.24636561
  O     11.51879274      7.36190763    -10.19743731
  H     15.91530374      6.17170077    -17.31082478
  H     14.36182781      3.35551644    -10.17859108
  O     13.39283227      6.18001833     -8.41116837
  H     15.75051039      7.60975633     -6.83079851
  H     14.10825520      2.82963583     -8.74879930
  O     13.50050070      8.51654571    -14.14488649
  H     14.83708258      7.02045311     -7.93463787
  H     18.02325762      5.91916675    -12.76110739
  O     12.84164276      9.68813759    -10.44557267
  H     14.05733105      7.89596909    -17.08673315
  H     17.12246644      5.65960109    -13.99625987
  O     14.31765434      3.61870098     -9.24193503
  H     13.11110098      8.03357765    -15.88856292
  H     17.66856245      1.79012499    -13.20904645
  O     17.50034439      6.36101298    -13.44673535
  H     16.13567949      8.32594339    -16.22722477
  H     16.98144357      3.10917608    -13.62818122
  O     17.23898363      2.56799173    -12.86164471
  H     16.51846147      8.65076461    -17.68695790
  H     15.35973208      4.28488961    -14.47827155
  O     16.27829698      4.25935166    -14.78240378
  H     16.31735936      9.33150424    -13.82338283
  H     16.26196773      4.51307185    -15.71584753
          69
 Energy    -250.36281903713913     
  O     -3.24049935     -1.15610309      1.08393404
  H     -2.65278545     -1.16436266      0.31341965
  H     -0.24898996     -0.35866097      2.04785492
  O     -1.02130300      2.82035836      1.85534510
  H     -3.93973460     -0.51989271      0.88304716
  H     -2.85372045     -2.73896842      1.85777691
  O     -0.92584181     -0.71709357      5.28138841
  H     -0.29291468      3.13117778      2.40704117
  H     -3.17826593     -4.19752784      2.25316916
  O      2.32601556     -3.51835152      0.46078488
  H     -1.30407801      1.97487452      2.23462474
  H      1.96390006     -0.79528193      2.58545809
  O     -1.62708916     -1.18719285     -1.21226267
  H     -1.27194474     -0.87258101      6.15580853
  H      2.76172488     -1.85558232      3.34898742
  O     -3.44223628      0.61906939     -2.17922666
  H     -0.67816173     -1.58625204      4.91676371
  H     -0.86929186     -2.62784631     -0.37539699
  O     -4.94073844      0.90274456      0.30646033
  H      1.37855496     -3.51855534      0.26437965
  H     -1.11334051     -3.49819223      0.88873428
  O     -2.14681161      3.17309530     -2.12030536
  H      2.71476555     -2.82301333     -0.08267803
  H     -1.59521272      0.00495548      3.73599674
  O      0.12957027      2.65661809     -0.69453821
  H     -0.77167761     -0.73781975     -1.25852094
  H     -2.34301559     -0.18118041      2.35774955
  O      3.34632571     -1.32784740     -1.10126526
  H     -2.26287582     -0.63059374     -1.68481504
  H      1.57182309      4.00936358      3.97855119
  O      0.87988383      0.01501383     -0.99971687
  H     -3.01852149      1.48314136     -2.26347777
  H      1.30165445      2.48807620      3.91393538
  O      0.48683267     -0.77262597      1.58045620
  H     -4.07239077      0.70460798     -1.45450354
  H      2.79757273     -4.46227206      3.44662504
  O     -2.46674342     -3.56428771      2.19495889
  H     -4.42923013      1.72425850      0.42263686
  H      2.34664700     -3.67919233      2.19301055
  O      2.72265386     -0.90800380      3.18194723
  H     -5.86090805      1.14036191      0.38144354
  H      0.50761824     -3.34140496      3.76743822
  O     -0.42841647     -3.16966522      0.29506791
  H     -2.01417042      3.84276472     -2.78607479
  H     -1.02441628     -3.34771400      3.47599692
  O     -1.71990180      0.36862873      2.84978955
  H     -1.28476289      3.02935435     -1.69320579
  H      0.60191611      0.44436849      5.01601061
  O      1.25514026      3.31696379      3.40469325
  H     -0.26194502      2.67162068      0.19197048
  H      1.96393325      0.33531140      4.30668086
  O      2.27137887     -3.71915077      3.16354244
  H      0.41342926      1.74897332     -0.87874848
  H      3.55981716      1.16109245      0.91573824
  O     -0.35430601     -3.07971438      4.11473262
  H      3.63908070     -0.74081479     -0.37825407
  H      3.73584703     -0.10292466      1.79175247
  O      1.36547696      0.96144104      4.73813568
  H      4.07269874     -1.39039311     -1.71509720
  H     -3.08304874      3.28537115     -0.45729752
  O      3.97933155      0.28854292      0.94425240
  H      1.70647951     -0.40856693     -1.25807640
  H     -2.65207726      3.15969545      1.01473089
  O     -3.42419257      3.13843829      0.43382395
  H      0.80483306     -0.13903492     -0.04391913
  H      1.88222733      2.83413827      0.27837734
  O      2.57858922      2.69313030      0.92801015
  H      0.19806698     -1.64087246      1.27152999
  H      2.19816725      2.94059061      1.77958082
          69
 Energy    -250.36211158211299     
  O     -4.74396990      3.81736927      3.89939298
  H     -3.96020698      4.24375831      4.29057667
  H     -4.86924215      5.34274380      0.11384989
  O     -2.93732245     -2.04829540      0.72420173
  H     -5.41637853      3.80589281      4.57539555
  H     -1.39330750     -0.65149453     -2.26791311
  O     -2.14012181      5.23930506     -1.48913245
  H     -3.42742625     -1.46614418      0.11513524
  H     -1.74280851     -0.58866672     -3.77368499
  O     -4.22583295      2.37010126     -0.50450575
  H     -3.43058202     -2.86211018      0.78189603
  H     -0.70641635      3.25291791      3.56328196
  O      1.70848631      4.54674239      0.63483596
  H     -1.98960840      4.34023425     -1.80841268
  H     -0.38592827      2.27893022      4.72365225
  O     -1.35287840      3.37031929      1.92669268
  H     -3.08442667      5.28749420     -1.30141217
  H     -1.69520168      5.11800485      2.10244986
  O     -0.32975795      0.40832439      4.73195421
  H     -3.38647278      2.38800735     -0.98962367
  H     -1.29277561      6.48271870      1.54452701
  O     -4.11021471     -0.39879597     -1.08317254
  H     -4.62289926      3.23904940     -0.63806460
  H     -3.97893298      2.05221304      1.24335222
  O     -1.91130805     -0.19324693      2.54854578
  H      1.10698500      5.29142478      0.50959388
  H     -4.14500064      2.49137642      2.74577875
  O      0.52268486      0.07608360      1.07838889
  H      1.84577410      4.43586056      1.58337870
  H     -1.73808361      4.44941189      4.89487729
  O      2.06645091      0.96180927      3.17012968
  H     -2.17566959      2.86538154      1.93681142
  H     -2.24016722      5.62284701      4.03689147
  O     -4.94329233      5.06560696     -0.81759194
  H     -0.83489320      3.08977325      1.16269982
  H     -1.87237725      1.62419162     -2.44213128
  O     -1.93377070     -0.18550246     -2.93126462
  H     -0.41410505     -0.24932045      5.41779763
  H     -1.09553517      2.46320423     -1.39361685
  O     -0.36894772      3.21058989      4.47410171
  H     -0.91365932      0.13048910      4.00652129
  H      2.67723447      4.32671293      4.02636887
  O     -1.84105770      6.07046574      2.22106345
  H     -4.33857694      0.51665828     -0.87893420
  H      1.25486085      3.74278704      3.88710175
  O     -3.67578181      1.89374537      2.14982020
  H     -3.48470457     -0.35495156     -1.81791741
  H     -4.78574099      5.11471177      2.47515367
  O     -2.48456781      5.05142916      4.77784345
  H     -2.25058574     -0.92846600      2.02195897
  H     -3.65820483      5.98479828      1.88915293
  O     -1.87409753      2.46685673     -1.97412253
  H     -2.55730405      0.52261282      2.45843257
  H      0.85336851      3.14454976     -0.01816825
  O      2.09494501      3.87576974      3.41897720
  H      1.19877874      0.30626174      1.73165803
  H      0.42666252      1.63436507      0.17240169
  O     -4.58186614      5.72724861      1.76003742
  H     -0.31484944      0.02097797      1.55755046
  H     -1.35230307     -1.84238434     -0.37931785
  O      0.18079680      2.47918362     -0.22670304
  H      2.20221948      1.91587722      3.20185413
  H     -0.06554417     -1.00400148     -0.32654482
  O     -0.64259292     -1.49072067     -0.93026450
  H      1.37252584      0.76799463      3.81242545
  H      0.03439195      7.31902250     -0.55771308
  O     -0.25023524      6.57155736     -0.03817954
  H     -5.65736583      5.56756492     -1.20027088
  H     -0.90515551      6.09440130     -0.57950035
          69
 Energy    -250.36144055934807     
  O     10.91882476     10.58671833    -11.81787585
  H     10.43327709     10.25323856    -12.58360237
  H     16.09620529     12.08181913    -14.87343346
  O     13.90741335      7.87418800    -15.36315112
  H     11.68969715     11.04860882    -12.16735823
  H     16.31314997      9.65968986    -14.12967816
  O     17.38891417     10.47784917    -10.36790573
  H     14.26058871      7.97413786    -16.25489046
  H     15.51119074      9.30131874    -12.84763597
  O     17.64981123      8.67410493    -16.48000977
  H     14.55993141      8.27968021    -14.76845790
  H     10.95968519      9.20842607    -10.73713606
  O     12.11415645      9.97353240    -15.20433955
  H     17.38527952     11.09809428     -9.64314349
  H     10.46190615      8.47729825     -9.46519027
  O     15.99431377      6.23227614    -10.53127757
  H     16.46746995     10.38900294    -10.66361953
  H     20.57400891      7.31256916    -12.48248110
  O     13.26570666      6.19881549    -13.27784302
  H     17.66523630      7.92359197    -15.87497392
  H     19.22717047      7.60984777    -11.77522188
  O     14.85789827     10.08935843    -11.33111784
  H     16.82355016      8.61290695    -16.97628667
  H     10.64749555      7.28025272    -11.82438874
  O     15.09189770      8.73731724    -17.75889876
  H     12.64982800      9.16834384    -15.25600527
  H     11.42915132      6.55022475    -12.94095838
  O     15.80273640      4.93967008    -13.11568519
  H     11.22992653      9.71371131    -14.92037100
  H     19.30521103      9.50670198    -12.77630137
  O     17.39352241     10.91559968    -14.90785956
  H     15.15854374      6.71433663    -10.49791901
  H     18.49224542     10.50204544    -11.92487058
  O     15.30194599     12.64429661    -14.85127940
  H     15.95828431      5.70365429    -11.33648822
  H     16.87969325      7.57832962    -13.94558735
  O     15.78101448      8.97010010    -13.71080624
  H     14.04348502      5.63217037    -13.20345465
  H     18.30763216      7.03275166    -13.71227354
  O     10.97945323      8.36092668    -10.25696022
  H     13.39994500      6.72111633    -14.08239622
  H     17.49901085      7.19173548    -10.34363917
  O     19.68514154      7.61961921    -12.63716849
  H     14.38858889      9.27394859    -11.10071762
  H     17.98571948      8.65915308    -10.22650718
  O     10.57884909      6.95755108    -12.73182399
  H     14.27817837     10.62168929    -11.89344918
  H     13.23166823     10.81600522    -16.44442086
  O     18.96995561     10.41128146    -12.75875193
  H     14.93967827      8.62207757    -18.69311038
  H     14.47957389     11.70276311    -16.32414319
  O     17.48094880      6.85449619    -14.18092693
  H     14.75932465      9.62366024    -17.52801257
  H     13.46905358      7.20672489    -11.74878541
  O     18.28874019      7.75324428    -10.35413090
  H     16.10194593      4.05421254    -13.30721301
  H     12.71800175      7.86048979    -10.55620317
  O     14.02485924     11.09782166    -16.92108849
  H     16.42648314      5.54495834    -13.55068602
  H     13.96573234     11.99784664    -13.64570324
  O     13.59574670      7.68635283    -10.91791783
  H     17.59721396     10.23340482    -15.56455902
  H     12.88110302     10.93184647    -13.86049339
  O     13.30461509     11.47318657    -13.17768238
  H     18.03237544     10.83438280    -14.18207873
  H      8.81323073      9.08604293    -14.29955750
  O      9.72013207      9.18120407    -14.02228587
  H     15.60251637     13.54377148    -14.95491319
  H      9.98456155      8.33380714    -13.62078538
          69
 Energy    -250.36076366624525     
  O      0.65343170      7.66957594     -2.38175060
  H      1.18145698      7.28460705     -3.09057324
  H     -0.91456159      8.61888079     -2.38395553
  O     -1.63715061     10.01812398      0.33445592
  H      0.90789243      7.21044912     -1.56918700
  H      3.85680052     12.47351779     -5.97545951
  O      1.40792153     10.78411311     -5.55781988
  H     -1.65746553      9.77513301     -0.60856763
  H      3.21627718     13.60578900     -6.81340158
  O      1.80672699     10.13595607     -1.57625402
  H     -2.52899553      9.91771569      0.65863155
  H      1.66108943     14.06323206      2.05354258
  O      3.44075774     14.17188350     -0.53462436
  H      1.87959518     11.59402721     -5.78508218
  H      2.26146835     13.74550077      0.66364636
  O     -1.03723208     11.04790904     -4.46335180
  H      2.08457277     10.15137523     -5.28661136
  H     -0.20846974      9.04831150      1.09125910
  O      5.09545195     10.55156365      0.55513090
  H      1.35187955     10.90049051     -1.95280782
  H      1.24494927      9.32452924      1.51275961
  O      2.58626860      6.49258342     -4.11701444
  H      1.33678936      9.34166032     -1.85749679
  H      3.21287923      8.15128154     -4.75594316
  O     -0.68097872     12.67689879     -0.13367372
  H      4.34206959     13.85145899     -0.40767260
  H      3.85133758      9.23344319     -3.87482738
  O      3.92229969      6.79754389     -1.77320906
  H      3.25488853     14.08525501     -1.47787940
  H      4.48157786     12.53301237     -2.97871750
  O      2.93981945     13.45600266     -3.24021148
  H     -1.64785863     11.33629908     -5.13627592
  H      5.72972044     12.43216307     -2.06855090
  O     -1.59208567      9.30155535     -2.28190237
  H     -0.18369347     10.88877534     -4.90690021
  H      0.01993345     12.58028292     -1.73266110
  O      3.08452782     13.06411193     -6.04020834
  H      5.02320836     10.03134511     -0.25222612
  H     -0.10792759     12.04712589     -3.20174111
  O      1.63600926     13.43024826      1.34109996
  H      4.19357405     10.60366176      0.90275508
  H      4.83852691     10.40456708     -2.37111085
  O      0.59339072      8.61712708      1.41237067
  H      3.12877544      6.49616212     -3.30677045
  H      3.48914082      9.80057738     -1.88842190
  O      3.52255564      9.06486787     -4.76715833
  H      2.66825534      5.62522947     -4.50369563
  H      5.39735639     11.56021868     -4.69750194
  O      5.32364624     12.06597984     -2.86306867
  H     -0.98115785     11.80263335      0.14451720
  H      4.66575403     10.44679832     -5.47664505
  O      0.51017506     12.39449061     -2.54839984
  H      0.02804380     12.94351657      0.46472267
  H      2.11694020     10.55396830      0.18008854
  O      4.41164478      9.57914556     -2.10023673
  H      4.24535843      7.70748071     -1.79867087
  H      2.10819717     11.64860129      1.28317416
  O      5.10061073     11.30310801     -5.58117565
  H      3.27149693      6.75331494     -1.06104270
  H      1.52094504      5.77561946      0.47144613
  O      2.36360096     10.73588027      1.10000622
  H      2.96496071     13.49524320     -4.20356403
  H      1.29933570      7.30122707      0.55531950
  O      1.66610031      6.59095162     -0.00144531
  H      2.06566145     13.10801455     -3.00640057
  H      5.73595501     12.11307086      0.10122789
  O      6.02105321     12.96163682     -0.28316593
  H     -1.49327349      9.88664703     -3.04216046
  H      6.81805904     13.21834245      0.17214916
          69
 Energy    -250.36000120193881     
  O     -7.40016123     -1.89334655      6.12204096
  H     -7.50638091     -2.52497025      5.40054526
  H     -4.69960590      1.18042175      0.98326339
  O     -9.02022147     -1.39952393      2.58011509
  H     -6.46480944     -1.65733634      6.14457761
  H     -7.80576736     -0.19213897      3.35028785
  O     -7.77444051     -3.58424755      3.85844295
  H     -9.70870299     -0.94108301      3.08690823
  H     -7.27647050      0.87153126      4.38592518
  O     -6.26660866      1.22505645      0.00668852
  H     -8.76679905     -2.19811684      3.05955859
  H     -4.52582742     -1.10453926      4.98989322
  O     -4.79375248      1.69988913      5.99446449
  H     -7.06743653     -3.43097596      3.20598860
  H     -3.86227949     -1.69424499      6.25564210
  O     -5.36852941      5.79269215      0.72503395
  H     -7.94010939     -4.52309989      3.87179976
  H     -2.43034140      3.73258902      0.79235848
  O     -9.39671885     -0.16102766      6.70826062
  H     -6.88663644      1.73893185      0.54591420
  H     -1.41113578      3.12681418     -0.20448985
  O     -4.67743113     -0.75808065      3.25994780
  H     -6.63516404      0.33494197     -0.03252123
  H     -7.94455204      4.44042961      4.27498827
  O     -4.94586717      3.60600268     -0.85653426
  H     -5.74903545      1.81381634      6.10442082
  H     -9.33555217      3.76761792      4.30662456
  O    -10.62209831      0.10947187      4.14299402
  H     -4.63782459      0.75647236      6.10502521
  H     -9.56478606      2.63214810      2.49477096
  O     -7.57745412     -1.30331158      0.23299325
  H     -5.28154694      5.03635903      0.11793684
  H    -11.02983221      3.12032002      2.44066936
  O     -3.89348198      1.20041555      1.51858158
  H     -5.51565052      6.56385714      0.18410239
  H     -5.36147112     -2.23892920      2.40797308
  O     -7.11422060      0.45756331      3.52649781
  H     -8.69705363     -0.81851968      6.53861090
  H     -6.37156072     -2.44578195      1.26652437
  O     -4.62216251     -1.20306938      5.95277085
  H     -9.78207632     -0.37913442      7.55250866
  H     -8.25038239      1.25960276      6.32169628
  O     -2.30572391      3.04475470      0.11301189
  H     -5.53951034     -0.32509796      3.37748618
  H     -7.96699175      2.65131786      5.65236440
  O     -8.62978403      4.10654363      4.87011851
  H     -4.18346213     -0.18356887      2.66129875
  H     -3.33373737      4.32683936      2.72766209
  O    -10.37616313      2.73508142      3.01961814
  H     -5.43405661      2.78193702     -0.73827670
  H     -3.70575492      5.34788442      1.63640801
  O     -5.92885593     -2.90280299      1.99107328
  H     -4.01863304      3.39150661     -0.69197424
  H     -4.24175542      2.37160400      2.96405677
  O     -7.57034131      1.80661833      5.91265081
  H    -10.60534711      1.03301656      3.86345346
  H     -4.43221188      2.60814301      4.49411379
  O     -2.96122772      4.86356457      2.01353642
  H    -10.29911339      0.07853002      5.05224325
  H     -7.59141569      1.75435867      2.42484501
  O     -4.36994827      3.05231275      3.63630189
  H     -8.09492635     -1.67901477     -0.47597897
  H     -7.45860110      3.27821828      2.16604181
  O     -7.89233696      2.47373544      1.84675679
  H     -8.15562759     -1.28451402      1.01499606
  H     -5.80936087      4.08375476      3.29248099
  O     -6.56330803      4.60333282      2.97261511
  H     -3.24219606      1.71291794      1.02534483
  H     -6.23472596      5.14464628      2.24450270
          69
 Energy    -250.35925644093828     
  O      1.96701605     -0.40104841      4.79731525
  H      2.64349167     -0.23655215      5.45011861
  H     -2.49292496     -1.44632006      5.39139181
  O      0.54799879      1.30330169     -2.91046340
  H      1.18647848      0.11075803      5.07673066
  H     -0.27502753      2.24826857      2.33232681
  O      0.44590412     -2.81708337      5.20138935
  H      0.83006769      0.38460108     -2.99756694
  H     -1.70032601      2.63902529      2.85577738
  O     -1.18911575      0.90667608     -0.74011302
  H     -0.19370420      1.27796250     -2.28924280
  H     -3.94468693      0.90069186      0.61547783
  O      1.40942739     -1.41946003     -2.55427154
  H      0.55831957     -3.45784646      4.48859934
  H     -2.83613702      1.54715752     -0.22557012
  O      3.08105285     -0.22866033     -0.74851580
  H      1.03924582     -2.07926403      5.01671890
  H     -1.63451997     -1.04225640      3.46102059
  O     -4.30331346      0.97602567      3.92005985
  H     -1.15303548     -0.05818941     -0.76023460
  H     -1.22025004      0.35159495      2.86820165
  O     -2.37065123     -4.06787334      2.74738589
  H     -0.52281536      1.20252992     -0.10497783
  H     -0.34890690     -2.08013138     -0.09105037
  O     -0.23498426      1.02184473      5.49825148
  H      1.92271089     -1.96914983     -3.14064109
  H     -0.16295780     -1.82834136     -1.60106667
  O      2.39754418      2.50276527     -1.31878007
  H      2.02978840     -1.06498066     -1.89205192
  H      1.69846874     -1.03738968      1.75273602
  O     -3.38878256      3.25104548      2.42984601
  H      2.98779568     -0.30664215      0.20902106
  H      2.29026415     -0.26770185      2.94754244
  O     -2.16864647     -2.13233652      4.79654503
  H      3.01752341      0.71535445     -0.94087560
  H     -3.45636535      0.51155523      5.37268732
  O     -0.88523669      2.17267585      3.07884636
  H     -4.39057510      0.33832588      3.20036167
  H     -3.45371225      0.38080959      6.91368881
  O     -3.66967539      1.74109876      0.22462636
  H     -4.07428694      1.81441903      3.50102637
  H      1.39563601      2.24872498      0.25109407
  O     -1.38881363     -0.57292406      2.65026981
  H     -2.69832036     -3.68736299      1.92528150
  H      1.36317316      1.14717542      1.34219677
  O     -0.83548598     -1.91003140     -0.91383310
  H     -2.50842186     -3.41418887      3.44746212
  H     -0.70012528     -4.50816943      2.88258840
  O      2.27592970     -0.29311516      1.98313485
  H     -0.42345578      1.57448050      4.72547450
  H      0.48021673     -5.51271129      2.88614562
  O     -2.93262544      0.20507553      6.13488210
  H     -1.09407063      0.74422817      5.83462340
  H     -0.23379071     -1.66735462      1.92463886
  O      0.85476216      1.87656064      0.95788342
  H      2.83198369      3.24952236     -1.72096248
  H      0.45086750     -3.07764010      1.93207049
  O      0.27041229     -4.58517206      2.94471613
  H      1.75737888      2.16261804     -1.96958893
  H     -2.39911857     -2.62810555     -0.29855070
  O      0.41938869     -2.22923177      1.47420379
  H     -3.77406095      4.11729347      2.33456666
  H     -3.62379660     -3.54857662     -0.47408446
  O     -3.17977653     -2.98454738      0.15513069
  H     -3.52097437      2.78651823      1.58263405
  H     -3.94720367     -1.48032146      1.08505469
  O     -3.95659896     -0.67943196      1.61933094
  H     -1.27629494     -2.38264085      5.08640576
  H     -3.04399338     -0.58755464      1.93626392
          69
 Energy    -250.35918905445999     
  O      9.51450395      6.56159545    -10.15977704
  H      8.64294100      6.96991629    -10.12822084
  H     11.92937660      4.15036675     -9.32204775
  O     11.53962850      8.38219302    -10.81302860
  H     10.15824104      7.26679243    -10.30726801
  H     14.42245724      5.42705095     -7.09272693
  O      9.37494480     10.14104604     -7.66610970
  H     11.71678504      8.62588054     -9.89399030
  H     14.62262567      5.64897996     -5.57467726
  O      6.35263271      5.97344995    -12.14605661
  H     12.13349413      7.65601508    -11.05057148
  H     12.28969331      6.24941577     -6.48852020
  O      6.66764118      6.14131369     -7.75757275
  H      9.13741544     10.96009755     -7.23982922
  H     11.05525689      5.71871668     -7.27238804
  O     14.92926272      4.68258172     -8.58066581
  H      8.99350971     10.16942817     -8.56202386
  H      9.87789268      3.78144108     -8.69036609
  O     13.09433941      6.18707690    -11.43836182
  H      5.64398387      5.82167143    -12.76561830
  H     10.00810683      5.28703585     -9.03158033
  O     10.54597040      5.38318717    -12.50005955
  H      7.09939631      6.33129611    -12.65905181
  H      9.23018980      6.42435720    -13.33301502
  O      6.88462465      4.23140903     -9.90283508
  H      6.00889946      6.04269155     -7.07502228
  H      8.82911534      7.90455345    -13.19201212
  O     15.50538717      6.98002178    -10.24314547
  H      7.43210438      6.57973079     -7.34234090
  H      9.62100938      7.13112119     -6.54422647
  O      9.74115145      9.48466365    -12.54364794
  H     14.19617468      4.25300806     -9.04420084
  H      8.88916616      8.41989401     -6.96770411
  O     12.63204015      3.88544943     -9.93060019
  H     15.26539063      5.35445225     -9.18525300
  H     11.66290787      8.01154647     -7.66352196
  O     14.12436833      5.95300119     -6.32849788
  H     13.97782538      6.48633706    -11.18838920
  H     11.05542712      9.41392865     -7.92001518
  O     11.38397150      6.46233974     -6.74500597
  H     12.93454248      5.38507550    -10.91916820
  H      6.55371134      7.18952439    -10.78263051
  O     10.36119740      4.58447923     -8.46237934
  H     10.10144551      5.68650564    -11.69359884
  H      6.66621064      7.24583888     -9.22819867
  O      8.48768669      7.03575292    -13.43426860
  H     11.46583695      5.65911275    -12.40720449
  H     10.15600507      2.51151580    -11.03489891
  O      8.74392426      7.50967556     -6.68320376
  H      6.81054550      4.83401973     -9.15225078
  H     10.66991381      3.49487762    -12.10553546
  O     11.81537187      8.85312102     -8.11879581
  H      6.71054161      4.75102438    -10.69625895
  H      8.53623802      1.62700505     -9.26694464
  O      6.88533090      7.71590336    -10.04337306
  H     15.19449940      7.50133397     -9.48120814
  H      8.13270511      3.04462602     -9.73755529
  O     10.87358554      2.66013898    -11.66350082
  H     16.34932726      7.34223146    -10.49871528
  H      7.68831261      9.32325430    -10.11175785
  O      8.89186419      2.45688422     -9.57346887
  H     10.15103969     10.09791076    -13.14911771
  H      8.74353602     10.01555750    -10.99240578
  O      8.29983608     10.07410448    -10.13934884
  H     10.45161127      9.13410813    -11.97857964
  H     14.49741024      7.55238163     -7.34451370
  O     14.55413347      8.23517759     -8.02461368
  H     12.19992452      3.31544388    -10.58204209
  H     13.67442171      8.63255854     -8.06278311
          69
 Energy    -250.35803326510353     
  O     10.99993297      8.89908613    -13.77363574
  H     11.19531151      9.32280118    -14.61787290
  H     18.01242044     12.79775478    -13.15319024
  O     17.26197987      8.73846014    -14.32756844
  H     11.08039142      9.58965604    -13.10501093
  H     13.16114053     12.65421756    -14.26972285
  O     16.44494953     10.85112460    -10.59504652
  H     17.34465107      8.85363372    -15.28025442
  H     12.12113032     11.73441175    -14.95994781
  O     14.97813273     12.89922585    -14.22619278
  H     16.49804178      9.28198308    -14.07247915
  H     14.56558704     10.02150020    -12.95879700
  O     14.04647144      6.31176013    -15.05469242
  H     15.54628280     10.55463337    -10.80195607
  H     15.00685237     11.10090909    -13.98650615
  O     15.77591035      6.85880665     -9.38687354
  H     16.71879103     10.35118749     -9.81560592
  H     11.10561673      5.82121985    -13.13156709
  O     16.14408647      6.49316006    -13.13557446
  H     15.62105635     12.76363937    -14.94179315
  H     11.50627176      7.28857160    -13.42025238
  O     13.93859243      9.90812746    -11.26984763
  H     15.47067392     13.16102953    -13.43876340
  H     19.11939111      8.61597570    -10.99892928
  O     17.82163947      5.68671831    -11.02373063
  H     14.80604086      6.21170791    -14.46596689
  H     18.58782457      8.34599704     -9.58330510
  O     16.91707914     12.16069033    -15.97655474
  H     13.26661225      6.24302894    -14.49025658
  H     16.67830395     14.00918271    -11.28494277
  O     16.75517943      9.42502947    -17.02451866
  H     16.43325903      6.33006656     -9.85658508
  H     16.53814942     12.47466296    -11.37990235
  O     18.59394902     12.31499728    -13.75197361
  H     15.02354807      6.92913973     -9.98805947
  H     18.24675849      9.43833953    -12.98704583
  O     12.24781063     12.33890028    -14.21908558
  H     16.60784578      7.22093228    -13.57300661
  H     17.85115720     10.22855316    -11.71019534
  O     14.97911974     10.14977740    -13.82007677
  H     16.75119004      6.12421874    -12.48201880
  H     16.57670862      8.29284396     -8.78630853
  O     11.85538398      6.40568334    -13.20117301
  H     13.06177560     10.29120756    -11.39887609
  H     17.11510723      9.09912444     -7.58093189
  O     19.11115971      7.95465130    -10.29268609
  H     13.86245541      8.94261571    -11.28381123
  H     14.41610616      9.31374777    -15.27728333
  O     16.57279816     13.29119163    -11.90455696
  H     18.35806315      6.46721309    -10.79474274
  H     14.11602546      7.90294384    -15.84927320
  O     18.60749341      9.90687393    -12.22002671
  H     18.37418807      4.92243406    -10.88453275
  H     13.18804207      6.84516736    -11.99037408
  O     17.11484457      9.06504229     -8.53374480
  H     16.94173622     11.29124697    -16.38712046
  H     14.72766382      6.97020791    -12.09673438
  O     14.19528540      8.83750014    -16.09375896
  H     17.61785962     12.17749892    -15.30612458
  H     11.75570923     11.59182439    -12.74909299
  O     13.96904719      7.17352981    -11.52897129
  H     15.82840140      9.19895278    -16.84189142
  H     10.83546012     11.56344959    -11.50318757
  O     11.49411117     11.06037069    -11.97400499
  H     16.93876153      9.13385048    -17.91415886
  H     12.66560849      9.73790154    -16.25795108
  O     11.84242668     10.24418868    -16.15755924
  H     18.81743651     11.50639124    -13.27508460
  H     11.45138609     10.30903742    -17.02523764
          69
 Ord_Energy   -250.357834    
 O    7.48759699      -6.00867176      0.242751092    
 H    8.19067001      -5.84975719      0.883867741    
 H    7.76510668      -5.56748629     -0.573583782    
 O   0.878433287      -5.41161013      0.124922819    
 H    1.72690988      -5.79348946     -0.141984507    
 H   0.977286696      -5.12547112       1.04102445    
 O    7.90935850      -3.21629667       3.05338383    
 H    7.78125381      -2.48942327       2.42912698    
 H    7.24921608      -3.08950353       3.74229026    
 O    5.41263056      -3.78533268      -3.99804330    
 H    4.58625078      -3.71765542      -3.50150800    
 H    5.99985600      -3.12695932      -3.60627580    
 O    5.10331583      -2.31432486     -0.173727989    
 H    4.48971462      -1.81732810      0.387749940    
 H    5.18179560      -3.20232749      0.209434733    
 O   0.867767274      -1.85634291       1.04284310    
 H   0.726552129      -2.19907069      0.152243003    
 H   0.824674845      -2.62346363       1.62783206    
 O    1.19005585      -4.21252489       2.70168304    
 H    2.12103796      -4.07312059       2.93957305    
 H   0.734958172      -4.44748449       3.50692368    
 O    5.77055597      -2.48555970       4.82517910    
 H    5.83274317      -2.28649926       5.75543308    
 H    5.71226978      -1.63219333       4.35775900    
 O    9.23106098      -1.08526981     -0.831113875    
 H    9.92739582     -0.486285239      -1.08569896    
 H    9.64939404      -1.94576561     -0.644358933    
 O    3.44298816      -1.27041495       1.72926974    
 H    2.51400447      -1.28557563       1.45801735    
 H    3.57476950      -2.06361842       2.26814032    
 O    9.51177311      -5.07925129       1.96179843    
 H    8.95113373      -4.42640638       2.41999435    
 H    10.0888205      -5.45971727       2.61803460    
 O    3.85931754      -3.68004584       3.15517592    
 H    4.48640156      -3.37671804       3.82286143    
 H    4.36129379      -4.14929104       2.47135139    
 O    7.03365660      -2.23557878      -2.22473335    
 H    6.33165741      -2.19588089      -1.56088459    
 H    7.77081299      -1.71706259      -1.87909234    
 O    6.72313929      -6.16234255      -3.94748235    
 H    6.82224751      -6.52848387      -4.82200193    
 H    6.19975567      -5.34577560      -4.04028034    
 O    7.33078146      -1.15503442       1.22772849    
 H    8.03296947      -1.00850594      0.581969142    
 H    6.58585501      -1.52814913      0.740605414    
 O    5.58075571     -0.268591464       3.26631331    
 H    4.75996733     -0.373785287       2.76612806    
 H    6.29024076     -0.364487588       2.61724615    
 O    10.1786318      -3.57692695     -0.387988508    
 H    10.0673504      -4.06568956      0.436090887    
 H    9.69987488      -4.08027172      -1.06105947    
 O    5.12104845      -4.80351067      0.988838553    
 H    4.47414827      -5.27426386      0.444187015    
 H    5.97823191      -5.22432280      0.840360701    
 O    3.42759371      -6.00716591     -0.831910849    
 H    3.41025376      -5.23296928      -1.41085184    
 H    4.13348103      -6.59300327      -1.14394200    
 O    8.28945827      -4.74308491      -2.10262847    
 H    7.91585207      -5.30191326      -2.79471993    
 H    7.83684540      -3.89001489      -2.16554284    
 O    5.68752527      -7.36799192      -1.56168723    
 H    6.03654814      -7.05932140      -2.40725088    
 H    6.33790922      -7.11722326     -0.894218504    
 O    3.32690454      -3.50018001      -2.13286328    
 H    3.82555604      -2.98305178      -1.48963833    
 H    2.38997960      -3.31190777      -1.98796678    
 O   0.618962228      -3.23843789      -1.46118164    
 H   0.625460684      -4.05470419     -0.927300274    
 H  -0.165131196      -3.26708817      -2.00295806    
          69
 Energy    -250.35603321469381     
  O      0.80836545     11.60228797      1.96000077
  H      0.34362748     11.78071956      1.12559762
  H     -2.33610000     11.58703866      2.53170011
  O      1.66703758     15.59270996     -1.24527170
  H      0.21009842     11.86249335      2.66967257
  H      4.68730497      8.17146614      1.82358834
  O     -2.41310058     11.23832388     -2.06591368
  H      2.25522516     14.87775713     -1.52121847
  H      4.44150570      9.60444452      1.29287914
  O     -4.11255313     12.39453918     -0.12814605
  H      0.85658603     15.51794901     -1.76150649
  H     -0.56068533      8.80320833      1.13064359
  O      3.31746178     13.30606416     -1.47287842
  H     -3.14014423     11.50388926     -1.48890351
  H     -1.65744691      8.67369047      0.06510616
  O      4.98770139     11.25307836      1.09997275
  H     -2.30343335     10.27948121     -2.02078318
  H      3.04378674      8.87120936     -1.79510280
  O      5.29803310     11.34766393     -1.75939596
  H     -3.70792659     11.93080418      0.63045289
  H      4.06579687      8.72442624     -0.65380733
  O      1.33246400      9.05890839      1.06989389
  H     -5.05228541     12.41056455      0.02743318
  H     -1.37419421     16.16175546     -2.80468727
  O     -0.31158335     12.13613454     -0.46090568
  H      4.07460817     12.73932758     -1.66943240
  H     -1.38115414     15.09865399     -1.68179492
  O     -0.74254829     12.82343807     -3.76321329
  H      3.18495890     13.25352991     -0.51466248
  H      1.17564172      9.09008677     -0.75744489
  O      2.95871774     13.20105200      1.31258869
  H      5.23558481     11.35615406      0.17289485
  H      1.22378217      9.95227986     -2.06735136
  O     -2.86572233     11.13812428      1.86459381
  H      4.37486694     11.97462786      1.29340788
  H     -0.63535885      8.67396960     -1.90170279
  O      4.11397677      8.68735785      1.26341769
  H      4.81984572     10.49958140     -1.78521064
  H     -1.79179477      7.75563468     -2.35677630
  O     -1.51332304      8.88144539      0.99523551
  H      6.07072625     11.24291316     -2.30795889
  H     -1.30619823     13.61395076     -0.23472126
  O      3.97963411      8.96775063     -1.58443397
  H      2.25551314      8.82439304      1.22255668
  H     -2.83489302     13.80644284     -0.18399713
  O     -0.91164116     15.39267089     -2.48007513
  H      1.20193862      9.93380947      1.46534863
  H      2.16545212     16.59121955      1.70196894
  O      1.09719873      9.05396354     -1.72272013
  H     -1.08206470     11.72758884     -0.87792675
  H      1.70256073     15.76939124      0.47572378
  O     -1.60024057      8.55269061     -1.86926592
  H      0.39204130     12.06365707     -1.11772142
  H     -1.31862860     14.84953119      1.45938871
  O     -2.00112567     14.29184413     -0.20513482
  H     -0.82593381     13.72632536     -3.43394120
  H      0.05387223     15.22929452      2.05747622
  O      1.76258683     15.76466526      1.44859352
  H     -1.41310559     12.30368176     -3.29870637
  H      2.10715900     12.26296491     -2.33341478
  O     -0.82787986     14.91246963      2.28883727
  H      2.24142125     12.61582069      1.59699459
  H      0.75907560     12.07922172     -3.13850616
  O      1.41415190     11.63664532     -2.57711965
  H      2.65350958     14.10074771      1.47838273
  H     -1.06874792     13.47254983      3.22949675
  O     -1.16410251     12.60318447      3.65961452
  H     -2.40168200     10.32056987      1.62989255
  H     -1.29667859     12.76599695      4.58921917
          69
 Energy    -250.35537187446351     
  O     12.63974041     11.56844489    -15.94763283
  H     12.93031968     12.36936450    -15.49580863
  H     18.40317516     10.64641486    -13.39415672
  O     15.22710765      7.85045083    -13.27591715
  H     11.93300491     11.16651962    -15.41711773
  H     17.03481810     10.25660912    -16.63954714
  O     16.27390843     11.48015859    -10.88227660
  H     15.04288058      8.66335968    -13.77207380
  H     15.68823220     10.76933895    -17.25643314
  O     16.50794766     13.17373765    -14.90573696
  H     15.87741461      8.08179543    -12.60082854
  H     15.43854517     10.47427253    -15.15636960
  O     13.39696923      7.91545593    -16.72798001
  H     15.43545360     11.62508630    -11.34620789
  H     13.90809399     10.46654399    -15.00217017
  O     12.57551084      9.71377076     -9.01499239
  H     16.95830521     11.88232727    -11.43149535
  H     10.99358837      9.30725383    -14.53818120
  O     12.68241953      7.44336526    -12.42169661
  H     16.53149782     12.51818050    -15.61693835
  H     11.12842072     10.29689099    -13.36103583
  O     13.99891375     11.73032642    -12.39935305
  H     15.58490668     13.42668596    -14.79532578
  H     14.88163834      7.41197765     -9.33788955
  O     15.88440230      7.04643125    -15.88185893
  H     14.26267893      7.54698007    -16.49524199
  H     15.60667728      8.65290371     -8.78669200
  O     13.05397563      6.96879313     -9.72645974
  H     13.57585593      8.69693961    -17.25908710
  H     12.12901356      7.63396902    -15.59124875
  O     18.12142242      8.85218973    -16.16391022
  H     13.44359315     10.05744545     -8.77207067
  H     10.79538501      6.89781026    -15.33127514
  O     18.44161138      9.71018608    -13.62064272
  H     12.68890074      8.75928798     -9.11242640
  H     17.51631251     12.74987775    -13.55955407
  O     16.41140450     10.99552898    -16.65739370
  H     13.61212953      7.51035324    -12.69206507
  H     18.80751010     13.05455841    -12.76531806
  O     14.72796777     10.23281715    -14.54993015
  H     12.17203734      7.34446827    -13.23415520
  H     16.77448440      9.70045634    -11.22366058
  O     10.94612165     10.24407130    -14.30779295
  H     13.23699551     11.23369218    -12.07018938
  H     16.71083035      8.28833228    -10.60736458
  O     15.75777802      7.77700633     -9.16413414
  H     14.37475742     11.19786212    -13.11880806
  H     15.67914180     10.93328468     -9.26345404
  O     11.41719643      7.50438683    -14.93800798
  H     15.72458048      7.11979052    -14.93083511
  H     15.61655599     11.02713059     -7.72449351
  O     18.07214724     12.44943724    -12.81832568
  H     16.66780467      7.58175386    -16.05083730
  H     12.19891718      9.17669457    -11.94646037
  O     17.02265596      8.77999138    -11.38105810
  H     12.87613761      7.05288217    -10.67755609
  H     12.02390040     10.06222184    -10.69523933
  O     15.28329714     10.53539310     -8.47141946
  H     12.62646120      6.16526862     -9.43997358
  H     13.31463025     14.48156977    -14.04441714
  O     11.94239118     10.06426689    -11.66003925
  H     18.27480227      9.12425077    -15.24044120
  H     13.75761982     13.08563794    -13.54723912
  O     13.71011248     13.66142956    -14.32957253
  H     18.95984950      8.55077911    -16.50357202
  H     13.43312255     10.90808208    -17.37232380
  O     13.98630715     10.44889256    -18.02918781
  H     18.08340689      9.24186241    -12.85533432
  H     13.64427958     10.68210785    -18.88856845
          69
 Energy    -250.35401681598228     
  O     15.75915430     10.84896462    -15.62773510
  H     15.51723396     10.37496440    -16.43176257
  H     15.98919352      4.11210922    -16.38644424
  O     14.85551449      6.84841563    -16.55127657
  H     15.15083986     10.55016292    -14.93947094
  H     19.51453458      5.76631206    -13.97268906
  O     17.59555281      6.99811828    -11.53734882
  H     15.65301824      7.03698796    -16.02809852
  H     19.58121841      5.26903600    -15.45418927
  O     20.39629158      5.21651285    -17.10242736
  H     14.98275145      5.96282349    -16.91323540
  H     19.69764073      8.29870817    -17.40806079
  O     18.03390393      5.53437317    -18.36655423
  H     17.38647540      7.83486316    -11.98455070
  H     20.63685061      7.13408527    -17.05615663
  O     13.62358383      9.34456459    -10.74121804
  H     18.51911324      6.82854091    -11.75066359
  H     17.79625299      6.69554600    -15.01489940
  O     13.75098170      6.98196473    -14.00192341
  H     19.57092142      5.25928704    -17.62005751
  H     17.19542539      8.02753758    -14.46658901
  O     17.02900523      9.19307053    -12.98787332
  H     20.97775949      4.61434866    -17.55794571
  H     13.93029476      4.59232587     -9.49680929
  O     16.59458000      3.95588256    -14.78284242
  H     17.88705763      6.48737062    -18.29731281
  H     14.54490635      5.95188129     -9.91487779
  O     12.33481768      7.08941631    -11.56152867
  H     17.22547996      5.10241254    -18.06771085
  H     20.22319500      7.67331355    -13.24252366
  O     20.22361316      8.97145312    -14.38094604
  H     13.09869742      9.86992248    -10.14255965
  H     21.06615604      6.84114670    -12.24809787
  O     15.67713837      4.29292984    -17.29289902
  H     13.08127229      8.57251721    -10.98576121
  H     15.01681043      5.14463135    -11.81684012
  O     19.00928910      5.34460155    -14.67882218
  H     14.40403469      6.43168208    -13.54427413
  H     16.30521504      5.88182916    -12.26250689
  O     20.53825772      8.09029697    -16.97951097
  H     13.92626583      6.88525997    -14.94557738
  H     16.31157503      7.30875583    -10.18450177
  O     17.18449018      7.41684060    -15.21132915
  H     16.09058017      9.39404391    -13.10652822
  H     15.02284620      8.15677185     -9.99818561
  O     14.01240608      5.19754707    -10.22832632
  H     17.53022190      9.92017703    -13.37654406
  H     14.46327457      9.37481422    -18.58245605
  O     20.21232605      6.88338351    -12.66989057
  H     16.14382549      4.33309197    -14.01654835
  H     14.91395118      8.37937298    -17.48828626
  O     15.54824120      5.37542251    -12.58887384
  H     17.50186545      4.28669726    -14.73053959
  H     14.09346577      8.74704120    -13.70909774
  O     15.50377261      7.39212990     -9.66006129
  H     12.62520111      7.00966549    -12.48050786
  H     14.06554091      9.73863228    -12.52638027
  O     15.11739821      9.23510801    -17.90253862
  H     12.74237648      6.35123673    -11.09088094
  H     18.50952749     12.02231400    -14.55997483
  O     14.34527392      9.64470588    -13.44607472
  H     20.41896240      8.68121895    -15.28494010
  H     17.41153940     11.05192692    -15.04790414
  O     18.26609004     11.10055342    -14.58296774
  H     19.64403354      9.73435112    -14.46989777
  H     17.69431202      8.06314011    -16.83211406
  O     17.82264379      8.29823677    -17.76490616
  H     15.29216039      3.48419744    -17.61847987
  H     17.01608433      8.75452367    -18.02439585
          69
 Energy    -250.35171613463098     
  O     -0.82022401     -0.62706735      5.16581468
  H     -0.35259302      0.21959282      5.14334919
  H     -0.23672118     -2.05326939      0.76715183
  O     -1.81876424      3.46533440      5.56178384
  H     -0.27384700     -1.28567247      4.71424439
  H      3.20364922     -0.86608071      4.59551371
  O     -2.12776322     -2.30082900      0.99150264
  H     -2.55186708      2.82882441      5.64359305
  H      3.98810807     -2.17782988      4.84297425
  O     -4.42177164     -1.20241775     -0.28957803
  H     -1.97239457      4.14804549      6.20910520
  H      3.41306931      0.87848799      1.89381059
  O     -4.23032730     -2.40875385      4.14127818
  H     -2.12897227     -1.57906447      1.64091767
  H      4.27378459      2.15653085      1.75906712
  O      0.63769884     -2.40418053      3.65548634
  H     -2.83902363     -2.08619804      0.38034331
  H      0.37794115      2.09191507      1.64741022
  O     -1.91923622     -3.75438662      3.36610484
  H     -4.89910354     -1.24710721      0.55399590
  H      1.76082290      2.51145015      2.20650492
  O     -3.20158548     -1.00433422      6.42009860
  H     -5.00093991     -1.57158798     -0.95271927
  H      3.34793468     -1.28268558      2.45989024
  O     -3.81771683      1.66163726      5.66748023
  H     -4.00202271     -1.94021887      4.95138310
  H      2.39754136     -1.17432626      1.24955106
  O     -4.59192516      1.18357742      3.03807035
  H     -3.45989917     -2.95368024      3.92386330
  H     -1.81415670      3.78677118      3.68043191
  O     -5.69627976     -1.28106530      2.19647417
  H      0.62819200     -2.10895553      2.73471907
  H     -0.83283717      3.59134016      2.50947529
  O      0.57935299     -1.56625371      0.93745209
  H      1.55380180     -2.33316254      3.95274428
  H      2.15276480      1.21548251      5.05498672
  O      3.28519092     -1.79803593      4.32328501
  H     -1.02506710     -3.48616453      3.60564737
  H      3.28824342      1.27901408      4.01847507
  O      3.49369613      1.80605471      2.18047922
  H     -2.02522933     -3.46820163      2.44760693
  H     -2.94108389      0.36246028      2.88632424
  O      0.81345452      2.67008726      2.29349642
  H     -2.30989368     -0.91501530      6.03914723
  H     -1.71504418     -0.28219402      3.59206195
  O      3.22865578     -0.83981464      1.61069564
  H     -3.09676676     -1.43148434      7.26652402
  H     -3.07978638      3.39971451      1.70328580
  O     -1.74316440      3.83453369      2.71957758
  H     -4.19580457      1.54239681      4.78512171
  H     -4.28102807      3.93250418      0.88971233
  O      3.02327375      0.85405582      4.84419692
  H     -3.69189249      0.77504433      6.02591920
  H     -3.27092495      1.89600539     -0.15034508
  O     -2.10447279     -0.09089653      2.73103022
  H     -5.09624758      0.44115348      2.68510862
  H     -3.42167362      0.43603871     -0.62963332
  O     -3.85824940      3.12925428      1.18237404
  H     -4.47692339      1.84696131      2.34423962
  H      0.52153803      2.10289144      4.00204261
  O     -2.88890731      1.23226896     -0.73916706
  H     -5.15503066     -1.71935655      2.88059795
  H     -0.30089712      2.43557444      5.26873347
  O      0.38163896      1.84570396      4.92538100
  H     -6.60106282     -1.52714343      2.37066257
  H     -1.07611868      0.63592794      1.48831599
  O     -0.57093384      0.94187653      0.71737800
  H      0.33730131     -0.64211292      0.77592507
  H     -1.23283579      1.08167076      0.02752111
          69
 Energy    -250.35067658834609     
  O     13.89342882     13.50593473    -13.66755550
  H     13.34825276     13.43922085    -14.45875132
  H     12.82796467     11.09627959    -15.17059815
  O     15.70859327      9.56718784    -17.75905805
  H     14.61380931     12.86966461    -13.79609590
  H     15.28303256     11.44025558    -17.48761354
  O     15.69808623      8.87620472    -11.60517016
  H     15.14910066      9.00897442    -17.19344028
  H     15.86924022     12.73432043    -16.86074762
  O     17.77658305     14.99033832    -13.78614778
  H     15.73870350      9.14891617    -18.61586120
  H     12.05033741     13.13238619    -16.71680187
  O     14.32027251      8.14845870    -15.85088397
  H     16.23553237      9.66023529    -11.43047456
  H     13.50940036     12.64064042    -16.54211261
  O     14.91786072      6.23855786    -11.09107399
  H     14.78350437      9.17158237    -11.71828272
  H     18.62302799     13.45129466    -13.09956399
  O     15.87918699      5.14285838    -13.37748883
  H     18.15988578     15.86233015    -13.83176933
  H     19.31030164     12.20400511    -13.66788895
  O     15.67523403     11.38064313    -13.93444082
  H     17.01814887     15.05259212    -13.17963376
  H     13.29635145     12.66380368    -12.06004231
  O     13.00208634      9.52103152    -12.05480172
  H     13.80379865      8.88778606    -15.49520258
  H     13.07753794     11.28381501    -11.39019535
  O     16.44934581      7.81440479    -14.06024072
  H     15.05481142      8.00810179    -15.23444005
  H     17.00264251      9.77323477    -16.42824970
  O     19.59317487     11.57887776    -15.44977201
  H     13.97090810      6.36049550    -11.23126376
  H     17.27005355      9.10393941    -15.05056402
  O     13.22573496     10.36592448    -14.68285508
  H     15.29492733      7.13010228    -11.09130791
  H     14.15168944      5.52707237    -14.14630662
  O     15.05984780     12.33605145    -17.21487068
  H     16.33363449      4.31600921    -13.24361115
  H     13.51355960      6.61773176    -15.02694332
  O     12.64900079     12.73641976    -16.09067866
  H     15.58060127      5.44705267    -12.50049749
  H     14.63371776     12.79282215    -10.33251320
  O     18.97489739     12.58713826    -12.84873535
  H     16.10633935     11.34825137    -13.07004716
  H     15.35030179     13.28393234     -9.04992774
  O     13.25530201     12.21417189    -11.20564289
  H     16.33573164     11.13668716    -14.59003220
  H     16.56963141     11.94499124    -10.89465570
  O     17.51351962      9.85226053    -15.61320401
  H     12.93876543      9.77888543    -12.98592069
  H     17.77533502     11.72394464    -11.87027125
  O     13.30620047      5.92913556    -14.38313341
  H     12.63862461      8.62974962    -11.98359113
  H     11.42695033      6.36098853    -11.83831122
  O     15.47774126     13.13351991     -9.98244042
  H     16.42031283      6.86118581    -13.91464930
  H     12.55098872      6.48480801    -12.89411016
  O     16.99417260     11.30380321    -11.47845762
  H     16.21778913      8.22875211    -13.21569714
  H     14.93139774     14.66236708    -12.67644835
  O     12.25002264      6.80479471    -12.02515774
  H     20.37594530     11.24965421    -15.88303229
  H     15.65137900     14.50102177    -11.32395785
  O     15.64287027     15.02793638    -12.13145032
  H     18.92012994     10.87866891    -15.51471839
  H     18.20261872     12.82323963    -16.01442087
  O     17.39260543     13.33949111    -16.09230462
  H     14.10524848     10.67752540    -14.41138681
  H     17.41834990     13.95545232    -15.34951738
          69
 Energy    -250.35046381224453     
  O     -3.34461189      2.29536103      4.30829921
  H     -4.29667551      2.12705879      4.27026816
  H     -3.46222414     -3.09743531      1.01494856
  O     -0.52063119      4.78763332      2.94057495
  H     -3.18271315      2.89906193      3.57044978
  H     -3.41807728      1.78004176      0.47016313
  O     -0.54219567     -0.57500778      2.41195104
  H     -0.09725249      5.59906820      3.20865741
  H     -3.37892204      2.59027210     -0.85311530
  O     -3.76049371     -0.19434029     -2.30230048
  H     -0.54498775      4.21032568      3.72588965
  H     -6.22521117      5.16419340      2.12251489
  O     -1.26740104     -0.98341363     -1.64497036
  H     -0.56234548      0.00748746      1.63854165
  H     -4.93088283      4.32575300      2.04377796
  O     -4.29857311      0.65265334      1.49079671
  H      0.08958871     -0.18136446      3.02568424
  H      0.55071814      3.43089683      2.01565023
  O     -5.94608619      1.89835567      3.47314139
  H     -4.39424230     -0.61417351     -1.70374486
  H      0.59814083      2.17143135      1.10945329
  O     -7.61153220      0.38870922      0.43424085
  H     -4.04828280      0.72087524     -2.39519127
  H     -3.00047175      3.61186382      1.32788123
  O     -2.98262707     -0.42506022      3.70069423
  H     -0.85215127     -1.35905045     -2.41654711
  H     -2.26038836      4.50312802      2.36273524
  O     -4.57476211      2.54718910     -2.25911464
  H     -2.15557887     -0.68998829     -1.91894995
  H     -4.52923562     -1.48664157      3.65882777
  O     -5.39668335     -1.18963179     -0.27774250
  H     -3.76611682      0.15673332      2.12598870
  H     -5.07649542     -2.52058663      2.66101964
  O     -4.37750375     -3.41038449      1.13232107
  H     -4.95905883      1.11252747      2.02274874
  H     -1.60433835      2.67096167      4.94727050
  O     -2.92048522      2.45891053     -0.01487238
  H     -6.21148915      2.69456065      2.99730392
  H     -0.12130370      2.24246804      4.77300461
  O     -5.89799409      4.28228487      1.96161557
  H     -6.64837549      1.23748430      3.42522051
  H      1.23217085      1.61990890      3.19914305
  O      1.07759703      2.65342335      1.79740895
  H     -6.99580579     -0.25208260      0.05294922
  H      2.04147007      0.90354080      4.30916943
  O     -3.12378637      4.13822288      2.13289248
  H     -7.71746616      0.12039011      1.35394210
  H     -8.24695130     -0.76020991      3.71660994
  O     -5.33807686     -1.94065892      3.38642361
  H     -3.02785726      0.48604016      4.02150870
  H     -6.77888355     -0.96087589      3.27424755
  O     -0.69383669      2.99439589      4.96807399
  H     -2.09783004     -0.55069591      3.33206561
  H     -1.34901471     -1.96966814      1.39551036
  O      1.15819487      1.03182720      3.97354606
  H     -5.32855021      2.62871887     -1.64506531
  H     -1.67510603     -2.02248212     -0.10777709
  O     -7.54680197     -0.36465943      3.20471578
  H     -4.77098478      3.10007380     -3.00992016
  H     -1.34143709      1.62477878      0.06011634
  O     -1.87652648     -2.43994551      0.73880184
  H     -5.16726031     -2.04726733      0.09846957
  H     -0.64877382      0.38213429     -0.53566436
  O     -0.55214741      1.06918968      0.13557895
  H     -5.02516567     -0.53035345      0.32994168
  H     -6.37333663      3.32686003      0.35103297
  O     -6.52692966      2.78423833     -0.42889573
  H     -4.36083743     -4.35541825      1.00804628
  H     -6.98537277      1.98310605     -0.13386215
          69
 Energy    -250.34995804592759     
  O     16.18397594      8.70219157    -12.34148742
  H     16.71504566      8.56251945    -11.54606695
  H     11.28625360      7.98458642     -9.60425127
  O     19.02859887      4.48270172     -8.80204112
  H     15.63118030      9.47704760    -12.15806370
  H     15.55834636      9.28810622     -6.00194650
  O     15.74103477      4.23815492    -11.19526118
  H     19.73962270      3.86439742     -8.95261652
  H     16.58737673      8.24754651     -5.49397809
  O     13.49550144      5.74153441    -10.58296562
  H     18.81193396      4.87386712     -9.66554016
  H     13.16962299      7.91013574    -12.92009441
  O     17.48709417      6.49323985    -13.62228272
  H     15.51510637      4.27152245    -12.13318782
  H     14.69672781      7.73706635    -12.68087925
  O     16.26276131      3.79099320     -8.39883193
  H     16.56279965      4.74273204    -11.10907699
  H     18.10264477      5.88430578    -12.02621481
  O     18.63350114      9.14691372     -7.64493450
  H     14.21203066      5.10252080    -10.69757081
  H     17.99325787      6.54773901    -10.63428940
  O     15.08305167      5.63242281     -6.72541019
  H     13.50328219      6.29959726    -11.37335195
  H     14.61279855      4.60324294    -14.64381564
  O     17.48137607      8.09120093     -9.94357981
  H     17.10977378      7.34392548    -13.35890207
  H     14.53898729      5.75590406    -13.61635749
  O     15.08688655      7.32536916     -8.93284476
  H     16.73836602      5.93955830    -13.87202444
  H     13.29624292      8.69513797     -6.17643653
  O     13.82211114      9.79244099     -8.88220184
  H     17.21653954      3.93655089     -8.42550716
  H     13.18608100     10.02116835     -5.38805706
  O     11.43736972      8.83896681    -10.02356218
  H     15.98588180      3.74318978     -9.32123962
  H     10.76269610      5.52981582     -8.87357111
  O     16.49847045      9.07603080     -5.98148284
  H     17.84909787      9.20247349     -7.06879042
  H     12.12058355      5.96775631     -9.46586375
  O     13.87809236      7.25560699    -12.87660230
  H     19.16969718      9.91169229     -7.45435533
  H     13.51367417     10.30590155    -11.99122763
  O     18.15904037      5.70165540    -11.07794499
  H     15.44694590      4.90735415     -7.25499291
  H     14.20283164     10.46875755    -10.62409616
  O     15.03663591      4.95912877    -13.86694703
  H     15.72898569      5.84969963     -6.04192012
  H     17.79365348      6.41459101     -5.51733034
  O     13.68567478      9.58222569     -6.07118205
  H     16.63362219      7.81716112     -9.55825637
  H     17.33166573      6.18475030     -4.05606707
  O     11.40400076      6.23633103     -8.86662062
  H     17.96356840      8.54800636     -9.24544719
  H     13.47426642      6.46976312     -6.44204298
  O     14.33710827     10.58427147    -11.57451518
  H     15.13470179      6.83183068     -8.10357854
  H     12.19322728      6.82330105     -7.21702896
  O     17.03336783      6.48286253     -4.91058711
  H     14.53669624      6.80529887     -9.53108499
  H     11.23290563      9.68826735    -13.07009855
  O     12.71628047      7.07190442     -6.44662672
  H     14.30094866      8.95136195     -8.92974335
  H     11.68525363      9.10642167    -11.70774245
  O     11.96189957      9.26053010    -12.62996563
  H     13.73341992      9.97017033     -7.93912663
  H     19.02400210      7.32847195     -7.13271280
  O     19.01649662      6.44875685     -6.73601881
  H     12.19500975      9.23160443     -9.56774456
  H     19.06256360      5.80779059     -7.45545974
          69
 Energy    -250.34968587954654     
  O     15.13684971     12.01632090    -11.45476609
  H     15.30432563     11.55242569    -10.62689254
  H     17.15626967      9.59033308    -16.25184050
  O     15.32205339      7.41579591    -15.30802700
  H     15.88004328     11.78297717    -12.02881601
  H     15.89430128      4.31516744    -13.58040873
  O     13.67588097      5.91957018    -11.35679600
  H     14.49946016      7.91425005    -15.41954485
  H     16.88870173      3.13582703    -13.68185269
  O     18.20432812      6.29992576     -9.96209697
  H     16.02326668      7.82091939    -15.83366587
  H     18.18106088      8.19553994     -9.96335293
  O     16.47364815     11.03928184    -15.70532919
  H     12.73711587      6.02349095    -11.56692585
  H     18.73190444      9.43225033    -10.72107136
  O     11.20008972      6.64172422    -12.34143741
  H     13.98201186      6.79505712    -11.07701205
  H     15.91572707      8.07040861    -13.74549402
  O     12.78129355      8.48132051    -15.20213148
  H     17.39551951      5.76855858    -10.07192222
  H     17.04636326      7.66048701    -12.78166838
  O     14.50170242      8.49186914    -10.88951786
  H     18.72763991      5.86312055     -9.29458657
  H     12.35037432     12.78622263    -12.70556565
  O     19.43894369      8.31291345    -14.33674119
  H     16.76534304     11.17323719    -14.79448089
  H     13.65079770     12.03173566    -12.34036557
  O     11.85871687      5.78069006    -15.03670996
  H     15.51159270     11.14770349    -15.70194588
  H     13.30220838     10.29579175    -15.56492773
  O     18.32014734      6.28775972    -12.76637324
  H     11.41432044      7.58432410    -12.37407646
  H     13.40894571     11.52156693    -14.64133069
  O     17.50387811      8.70558715    -16.47547334
  H     11.21639907      6.33812901    -13.25622886
  H     15.17893047      5.05551670    -10.68502284
  O     16.74163555      3.97341373    -13.24997264
  H     12.33320482      7.63459334    -15.30896580
  H     16.32414610      4.29775251    -11.37461712
  O     18.15797193      9.15953532     -9.99538773
  H     12.65026424      8.73978148    -14.27646262
  H     14.17058617      5.50611003    -13.06478162
  O     16.32675912      8.29188210    -12.89976255
  H     14.83744579      9.09151277    -10.21470792
  H     14.76904735      5.96796940    -14.44866085
  O     12.83019382     11.97768872    -12.86300201
  H     15.18331111      8.44208390    -11.57848703
  H     20.61933996     10.39542370    -12.23922496
  O     13.71647548     11.16313061    -15.48278043
  H     18.82304656      8.44677252    -15.06623047
  H     19.68823110      9.43463841    -13.01360607
  O     16.07526859      4.72129573    -10.54473291
  H     19.15481879      7.50582602    -13.88522382
  H     12.38984987     10.19598738    -12.62919243
  O     14.39168189      5.21670940    -13.96372112
  H     12.71163060      5.44400613    -14.71902510
  H     13.09209946      9.00891391    -11.93329122
  O     19.74043582     10.02592223    -12.24146299
  H     11.48272675      5.09903017    -15.58829277
  H     16.69283998      9.95666909     -9.49264246
  O     12.38417661      9.23323470    -12.55337117
  H     18.43922159      6.26596560    -11.80768011
  H     15.87261921     10.51963151     -8.30819939
  O     15.82842715     10.32964796     -9.24120476
  H     17.85483825      5.47751735    -13.00832499
  H     16.84698005     10.04368872    -12.96714769
  O     17.19002638     10.94975538    -12.99623567
  H     17.82775600      8.75582687    -17.37064997
  H     18.11422458     10.87574913    -12.73424413
          69
 Energy    -250.34937346530796     
  O     -2.85781907     -0.17860252      3.99108995
  H     -2.75527851     -1.13887941      3.96296516
  H     -0.88620376     -2.99574216      8.29936188
  O     -2.14682655      3.40944673      6.07199620
  H     -2.84947518      0.09584788      4.91827084
  H     -0.32847198     -0.72020028      8.23082626
  O      1.85858748     -0.49209992      1.95923821
  H     -2.13909487      3.50210442      5.10163265
  H      0.47455181     -0.35458398      6.95881555
  O      1.01401312      1.53339729      0.19060233
  H     -2.57043763      4.18995318      6.41837556
  H     -1.83455606     -4.22657409      6.68913752
  O     -1.37048256      0.13404163      0.00321577
  H      1.11266450     -0.27090675      2.54047703
  H     -0.38813057     -4.00221625      6.20323653
  O     -2.30055266     -2.88674971      3.84381958
  H      1.79670296      0.13301419      1.22882904
  H     -0.33535115      2.93411467      6.40499491
  O     -1.25257656     -2.25540265      1.28985087
  H      0.15832108      1.07985415      0.10240095
  H      0.41540600      1.76637303      7.07204288
  O     -2.00631542      3.60948187      3.39990381
  H      1.22003806      1.90222902     -0.66464098
  H     -3.37616011     -0.82810336      7.37562372
  O      0.59960291      2.97728062      2.64044477
  H     -1.92839461     -0.01884468     -0.75626576
  H     -2.74057278     -1.88067807      8.30082233
  O      0.35915219     -3.30289423      4.62325719
  H     -1.32839975     -0.71194799      0.48370327
  H     -1.12684419      0.25024281      3.64863868
  O     -3.64020767     -3.86293378      6.09586927
  H     -1.38660708     -3.01975721      4.13417086
  H     -0.07056635      1.36094125      3.35985431
  O     -0.98486897     -2.30384852      8.97798552
  H     -2.86090534     -3.29162017      4.51759508
  H      2.05284153     -3.69757425      1.51785849
  O     -0.08554847      0.01684477      7.65766285
  H     -0.38960295     -2.66919958      1.40683914
  H      1.66419189     -2.25847198      1.93230784
  O     -0.92068999     -4.16227995      6.99307028
  H     -1.76711841     -2.50528095      2.06784756
  H      3.08551357      3.55981542      5.01059141
  O      0.54582836      2.56954403      6.55327312
  H     -2.49218581      2.99464542      2.83178815
  H      1.81963135      2.75789973      5.38737177
  O     -3.50985276     -1.71185303      7.74248472
  H     -1.09038702      3.57742936      3.09538596
  H      3.24861671      1.15037116      4.37014837
  O     -0.18118974      0.42827557      3.57899200
  H      0.86863539      2.59282162      1.79825817
  H      3.12460721     -0.01108920      3.36475429
  O      1.38360171     -3.18903164      1.96864533
  H      1.36196142      2.99731916      3.23455367
  H     -2.53886347      1.16218356      1.21873392
  O      2.50043384      2.87369719      4.69922717
  H      0.76375335     -3.42550086      3.75694085
  H     -3.19960464      0.94599051      2.58765559
  O      3.49980905      0.22901953      4.22136060
  H      0.74046169     -2.49059455      4.98921109
  H     -2.57217132      1.64904235      6.47390337
  O     -3.11602044      1.58365800      1.86307348
  H     -3.67814701     -3.07685311      6.67053391
  H     -1.72093918      0.45329780      6.96054221
  O     -2.59080826      0.69333075      6.60940497
  H     -4.42992264     -4.36814898      6.26779536
  H      0.70980877     -0.36318708      4.89577704
  O      1.30666401     -0.86226292      5.47604483
  H     -0.77835529     -2.70949001      9.81569848
  H      2.19918458     -0.59608659      5.21826722
          69
 Energy    -250.34919643433886     
  O     -6.24587970      1.88870341      0.02946357
  H     -5.48543460      2.48692513     -0.00114868
  H     -0.20397002      1.52737130      2.97667431
  O     -4.83319995      2.72058284     -4.36792104
  H     -6.63742001      1.90833551     -0.85517936
  H     -1.06992828      4.48935960      1.72483947
  O     -5.86609966      1.51131031      2.79605136
  H     -5.01124624      3.06428941     -5.23946011
  H      0.31457295      5.17442089      1.66647501
  O     -1.17279849     -2.42355625      1.21334657
  H     -4.59037884      1.78267170     -4.47904889
  H     -3.41704349      2.62696826      0.31937861
  O     -2.82669070     -1.07605523     -0.58311241
  H     -5.80144009      0.55064493      2.84359661
  H     -3.60737976      3.36646672     -1.00730643
  O     -4.13013889      0.10235377     -4.39856720
  H     -6.14993009      1.71453430      1.89524096
  H      0.79851799     -0.18542880     -0.14684094
  O     -5.52992621     -0.79142217     -0.03384036
  H     -0.73052973     -3.26760342      1.23208850
  H      0.70510730      0.26591075      1.33637211
  O     -1.84015982      0.23823962     -2.76741616
  H     -0.48166864     -1.74736745      1.08242783
  H     -6.70150999     -1.82565267     -2.89117105
  O     -2.67464811      2.93898905     -2.56738459
  H     -3.76715094     -1.08183616     -0.36061802
  H     -5.94890665     -1.07804257     -1.77090149
  O      0.83640762      0.66326848     -1.88236069
  H     -2.35090392     -1.67283980      0.00887246
  H     -2.62865838      1.81732922      3.82655558
  O     -2.92955472     -1.43654941      3.21747123
  H     -3.27543709      0.03992244     -3.95113785
  H     -2.10929588      1.24319976      2.49032672
  O      0.56735564      1.72581396      2.42783123
  H     -4.75809982     -0.39980949     -3.86436202
  H     -4.61347629     -1.41507941      2.90965243
  O     -0.14839103      4.37498422      1.43082071
  H     -5.74924179      0.15285260     -0.01769053
  H     -6.02012020     -1.94345174      3.28377433
  O     -3.91565776      3.35130199     -0.09284031
  H     -5.61786256     -1.10729439      0.87436003
  H     -2.44346891      0.48049886      0.28990716
  O      0.64724721     -0.50249942      0.74955904
  H     -0.88724646      0.27374194     -2.62837208
  H     -1.49668448      1.71231088      0.27125983
  O     -6.13599178     -1.07535281     -2.72328041
  H     -2.20109427     -0.28903054     -2.03804267
  H     -3.25831600      4.37985460      1.31858222
  O     -2.00388341      1.18435752      3.45429286
  H     -2.41389872      2.00766551     -2.62485366
  H     -3.18275055      4.16484617      2.84172683
  O     -5.56179734     -1.35320309      2.69215950
  H     -3.38003517      3.04951370     -3.21681326
  H     -6.29394457      2.17070330     -3.20095918
  O     -2.26361703      1.32879583      0.71312342
  H      1.65538895      0.85693125     -2.33162807
  H     -6.77669517      0.77305647     -2.78140252
  O     -2.75638381      4.62409800      2.10813285
  H      0.50089688      1.50835969     -1.53329858
  H     -4.43102916      3.34478634      4.90861601
  O     -6.92625908      1.71453856     -2.63282808
  H     -2.57258051     -0.56493042      3.43768201
  H     -4.72354387      2.51431845      3.63830398
  O     -4.03908548      3.03439069      4.09680420
  H     -2.29886859     -1.84055773      2.61028540
  H     -1.13750974      3.14072547     -1.44381987
  O     -0.40164912      2.86186982     -0.88317514
  H      0.44699998      2.63830006      2.14373698
  H     -0.28759789      3.49998990     -0.16666323
          69
 Energy    -250.34775167611775     
  O     15.92919188      8.41775750    -12.55837081
  H     16.52108508      8.26031087    -11.80953534
  H     11.47693649      8.80954027     -9.04501896
  O     18.58755563      4.08845632     -9.08898620
  H     15.51827226      9.28038389    -12.39563231
  H     16.43692481      9.61179944     -6.30374750
  O     14.95504748      4.17520594    -10.82582105
  H     19.12451897      3.31947067     -9.26630719
  H     17.36003106      8.45527372     -5.84404045
  O     13.08694005      6.09009750    -10.08947321
  H     18.29887604      4.43077603     -9.95100381
  H     12.69710654      8.18755129    -12.52265301
  O     16.73006455      6.15287711    -13.91690148
  H     14.59022276      4.21464125    -11.72252998
  H     14.17971261      7.73707568    -12.50403130
  O     15.86244440      3.89904515     -8.13360022
  H     15.84731309      4.53580549    -10.91107608
  H     17.39420822      5.38672136    -12.28914103
  O     19.11800941      8.81428515     -8.37430097
  H     13.65787022      5.32608405    -10.24679212
  H     17.58492853      6.14001761    -10.95570998
  O     15.26782793      6.04969212     -6.52656414
  H     13.03574665      6.57211094    -10.92799879
  H     14.11232469      9.41362912     -6.08450320
  O     17.44055881      7.77334996    -10.32172685
  H     16.45075911      7.00794966    -13.54704335
  H     14.34062852     10.80614686     -5.45133747
  O     15.16542614      7.49526628     -8.89971228
  H     17.15199330      6.34249294    -14.75123638
  H     10.66727967      6.56315998     -8.01378331
  O     14.38110847     10.15641831     -8.94358727
  H     16.80510473      3.88251884     -8.33687591
  H     11.97431789      6.67230058     -8.82936431
  O     11.68711347      9.60276313     -9.55047095
  H     15.41564083      3.82237631     -8.98568677
  H     13.62493602     10.50539320    -11.99910215
  O     17.32225189      9.24279550     -6.40111301
  H     18.46330169      9.04687462     -7.69012227
  H     14.56391575     10.61244136    -10.78350520
  O     13.26946393      7.41027192    -12.50061628
  H     19.79506609      9.48464273     -8.34591123
  H     18.24113423      6.44552991     -5.85307472
  O     17.55293508      5.25256815    -11.34794958
  H     15.42030633      5.22865868     -7.01818898
  H     18.00185605      6.41501214     -4.32231053
  O     14.65432547     10.22198710     -6.13633438
  H     16.04605734      6.21120041     -5.97928771
  H     13.87694846      7.17886268     -6.11475350
  O     11.42377721      7.12397719     -8.16751402
  H     16.63839677      7.66687900     -9.78465387
  H     12.56192065      7.68702348     -6.73250943
  O     14.54859811     10.62907771    -11.75012692
  H     18.09565886      8.20054707     -9.75870471
  H     11.07719658     10.26015787    -12.59959962
  O     17.61684333      6.69614159     -5.14748079
  H     15.26763848      7.08125952     -8.03279623
  H     11.68204233      9.73933071    -11.27220000
  O     13.23907824      7.90615905     -6.08234323
  H     14.44567931      7.03115607     -9.34530829
  H     19.30703468      7.00449969     -7.72807307
  O     11.82429032      9.79436615    -12.23522800
  H     14.67855699      9.23450719     -8.96307937
  H     19.05484924      5.48005276     -7.89551806
  O     19.23165837      6.17156811     -7.24667232
  H     14.47731775     10.42560717     -8.02306518
  H     15.04252870      5.17191398    -13.72691593
  O     14.18999911      4.86522353    -13.39497111
  H     12.57514483      9.86904613     -9.27478371
  H     13.68929326      5.67340329    -13.22113130
          69
 Energy    -250.34706678695781     
  O     -2.98920228      5.09563713      2.71421623
  H     -2.96609214      5.94032803      2.23361580
  H      1.96401864      6.92019857     -2.83901418
  O      1.04570399     10.97856179      0.83307306
  H     -3.70477867      5.15437329      3.34165238
  H      2.14400524      2.78899093      2.92316632
  O     -0.45558035      8.79649746     -1.98810239
  H      0.33626360     11.20616584      0.21945198
  H      1.01090866      3.75293061      2.50035910
  O     -0.18698549     10.25391546      3.14049861
  H      1.40747302     10.14084764      0.51155592
  H      0.36461105      5.51273166     -3.60413917
  O     -2.50847948     10.21616071      1.45672871
  H     -0.78469460      9.65646619     -1.69883235
  H     -1.01252672      4.77107621     -3.69254961
  O      1.53393900      8.36885483     -0.09782790
  H     -1.16603008      8.15413502     -1.85059015
  H     -2.72489134      2.83179784     -1.10437410
  O     -2.25426496      6.75102972     -1.42090174
  H      0.10105916     10.74688030      3.90353318
  H     -1.96247231      1.95778815     -2.10850282
  O     -2.59699128      7.38863411      1.25410867
  H      0.31423499     10.59446100      2.37693154
  H      0.95168818      1.97033145     -2.20494870
  O     -0.31927812      4.97545532     -0.71789719
  H     -2.72711123      9.27686004      1.40591624
  H      1.08247746      3.31257709     -2.93830746
  O     -2.24342404      3.42228112      0.58172004
  H     -1.83826734     10.29239501      2.14762989
  H      0.06039835      5.91135022      2.73416411
  O     -0.33060823      1.40967333      0.88708853
  H      0.85087092      8.48977820     -0.77407863
  H     -1.05814808      4.89931415      3.01984954
  O      1.23904436      7.05209252     -3.46171655
  H      2.21304480      7.80267506     -0.48228873
  H     -3.57744812      4.79559685     -4.14305695
  O      1.62819921      3.07342140      2.17321590
  H     -2.65156125      6.24155455     -2.13675149
  H     -2.89855056      4.03488901     -2.97915996
  O     -0.07746272      4.65599158     -3.49286842
  H     -1.52680792      6.19975718     -1.08704283
  H      2.15684572      3.61410159     -0.98595423
  O     -2.68499444      2.59289569     -2.04106960
  H     -1.66214378      7.46186595      1.50258896
  H      2.23678367      3.79177234      0.57370566
  O      1.56850131      2.69237757     -2.37689204
  H     -2.62915799      7.20371619      0.30517447
  H     -0.00411498      8.46108753      2.61114512
  O     -0.10019788      4.99063077      2.98276894
  H     -0.27021023      4.75784036     -1.66098781
  H      0.61911616      7.81559164      1.34581816
  O     -2.92639866      4.88693014     -3.45289164
  H      0.57009839      4.83132332     -0.37864040
  H      2.97603171      5.72257629     -0.97642761
  O      2.35447805      4.24233317     -0.27062154
  H     -1.54994194      3.97448434      0.18804929
  H      4.15611873      6.50832406     -1.59230991
  O      0.04880887      7.63907369      2.10787198
  H     -2.61377608      3.91908239      1.31891669
  H     -0.45246005     -0.15320210     -1.88682826
  O      3.22522621      6.56567936     -1.39269168
  H     -1.07709439      2.02556273      0.90437450
  H     -0.37436843      0.93544278     -0.79207913
  O     -0.44773897      0.79091890     -1.75277957
  H      0.39169769      1.86612970      1.33255670
  H     -1.78419684     11.96122443     -1.11670682
  O     -1.32345749     11.19169581     -0.79321926
  H      0.69071745      7.75722444     -3.09440038
  H     -1.81952640     10.87080003     -0.01905237
          69
 Ord_Energy   -250.343460    
 O   -1.59970450       2.98320532       2.92622447    
 H   -1.00882185       3.59697008       2.47763157    
 H   -1.04675901       2.54893184       3.58756280    
 O    2.32659960      -4.33476067       2.19391751    
 H    2.53797865      -5.25424290       2.33140635    
 H    3.02400088      -3.96748400       1.62164700    
 O   0.552187145       4.39580822       1.58052957    
 H    1.25832069       3.82632971       1.92702425    
 H   0.850037575       5.29636717       1.68310249    
 O    4.10995436      -3.01996255      0.606547594    
 H    4.29664373      -2.24142861       1.14793301    
 H    3.66000843      -2.69717622     -0.184410125    
 O    2.37637234      -1.72884059      -1.28605568    
 H    2.55981207     -0.928327918     -0.778882563    
 H    1.86224484      -1.43048704      -2.04739952    
 O   0.512653828      -3.28019190      0.222221062    
 H    1.01367223      -3.71190095      0.921507239    
 H    1.15841603      -2.81065917     -0.321876675    
 O  -0.445818216       2.83962917     -0.536649108    
 H  -0.124804549       3.46746945      0.120713271    
 H   0.290841460       2.61910319      -1.12780678    
 O   0.779684842     -0.462229729      -3.24947953    
 H  -0.143973634     -0.409871101      -2.94461107    
 H   0.747155190     -0.632524610      -4.18737078    
 O    1.98278499      -2.01566458       3.74577498    
 H    2.04825902      -2.89081311       3.34373093    
 H    1.09694350      -1.67704153       3.55030823    
 O   -3.30091429       1.23228085       1.58061016    
 H   -3.29470730       1.48601937      0.651892364    
 H   -2.76079440       1.88156438       2.05492258    
 O    4.00164509     -0.747015834       2.32046843    
 H    3.30391169      -1.18650961       2.83108163    
 H    4.35385942      -4.69128489E-02   2.88138747    
 O   -1.76008356     -0.303047836      -2.32324910    
 H   -2.24748540      0.480937719      -2.04732060    
 H   -1.87079632     -0.944970965      -1.60627615    
 O    2.63624477      0.593483448      0.361521363    
 H    1.69065046      0.403184086      0.493388355    
 H    3.14790773      0.101494022       1.02050221    
 O   -1.73563421      -1.80083382      -2.16956101E-02
 H   -2.26417589      -1.78282857      0.783824444    
 H   -1.01332116      -2.43881512       9.77909192E-02
 O    2.39280820       2.52157426       2.45203042    
 H    2.48555303       1.95669174       1.67437577    
 H    3.14492321       2.31610107       3.02226615    
 O   -2.96214509       2.03869867      -1.17494023    
 H   -3.48584914       2.71846724      -1.59203649    
 H   -2.09022975       2.42979980     -0.990573883    
 O    2.58271575      0.125685573       5.52889633    
 H    2.41483116     -0.727157593       5.10696363    
 H    1.78903663      0.654515028       5.37155819    
 O    4.43800783       1.44914222       4.07870817    
 H    5.17912388       1.75764203       4.59241581    
 H    3.83631921      0.990026832       4.69376230    
 O  -0.429799229     -0.772383451       3.16819882    
 H  -0.241985574     -0.355644286       2.31297874    
 H   -1.34738350      -1.06383121       3.11461091    
 O   -3.07482500E-02  0.308853745      0.674460828    
 H  -0.615955114     -0.368405670      0.308854133    
 H  -0.317339867       1.16521490      0.335804939    
 O   0.429028392       1.57045519       4.37104559    
 H    6.30120412E-02  0.736692607       4.03749609    
 H    1.05499291       1.88184524       3.70419693    
 O    1.69312847       1.93279660      -1.97946310    
 H    2.23301244       1.57816219      -1.26231372    
 H    1.42294133       1.16871560      -2.50571752    
 O   -3.08135819      -1.30534625       2.42846298    
 H   -3.21919298     -0.381371558       2.14394808    
 H   -3.90260005      -1.60352874       2.80813551    
          69
 Energy    -250.34320597763337     
  O     14.08511805      8.98101986     -9.48208307
  H     14.42839646      9.87453178     -9.67392821
  H     19.12393550      7.20631248    -14.90413571
  O     14.65458202     12.24522633    -12.65968222
  H     13.55495470      9.05229503     -8.69354459
  H     14.32229696     10.34841390    -15.25564091
  O     16.68627248     12.20759149    -14.75679712
  H     15.36307965     12.35208426    -13.30262079
  H     15.46678301      9.63477748    -16.05653837
  O     11.30946984      6.73255225    -15.18264511
  H     14.00127122     11.67288071    -13.08342760
  H     16.64706815      7.70911497    -12.78467743
  O     16.80232473      8.05923913     -9.67697262
  H     16.87002650     12.97400321    -15.29436855
  H     16.20472080      8.24376721    -14.18890608
  O     13.52832790      5.90090321    -13.55946184
  H     16.09776487     11.63781690    -15.27971843
  H     17.32420822      6.96998618    -10.95893065
  O     13.05992799     10.28724972    -13.93492419
  H     11.64744407      6.55635652    -16.06983785
  H     17.02385224      5.77037318    -11.92828246
  O     12.72221476      9.34366135    -17.47075468
  H     11.94440371      6.34455397    -14.56835165
  H     16.29984957      4.47109171    -13.51125773
  O     16.97497664      4.68736809    -15.10072255
  H     17.24973383      8.90994940     -9.76922711
  H     15.85781687      3.55204711    -12.34706074
  O     16.35819300      8.07566168    -15.99323662
  H     15.87064946      8.26574823     -9.53739570
  H     17.25868158      9.76090299    -13.01148426
  O     14.66637592      5.91439117    -16.11177616
  H     14.21065747      5.34531352    -13.16394402
  H     17.70068427     11.11994257    -13.57997489
  O     18.83762983      6.79950349    -15.74124841
  H     13.49686308      6.70954693    -13.02678772
  H     19.11909126      8.85234837    -13.25027259
  O     14.94568203     10.44900164    -15.99176169
  H     13.19167463      9.59417326    -13.27235945
  H     18.95188463      7.40439599    -12.72898661
  O     16.13721215      8.39585379    -13.23794837
  H     12.21781707     10.09921598    -14.36579408
  H     18.04167219     10.61526766    -11.19977233
  O     17.58571271      6.54119279    -11.79045282
  H     13.49752292      9.80981863    -17.13721232
  H     18.78019172     11.00906042     -9.90081653
  O     15.84645898      4.45722578    -12.64829644
  H     12.01855980      9.49876588    -16.82712020
  H     12.65468440      7.62000750    -17.74606594
  O     17.96907999     10.42101227    -12.97264598
  H     16.20515657      4.98321901    -15.60673799
  H     12.23306879      6.42551268    -18.63697426
  O     19.43809593      7.94929706    -13.36495250
  H     17.68132257      5.31279530    -15.29953498
  H     16.15884417     11.23043787    -10.08028848
  O     17.97196858     10.62476871    -10.23074027
  H     15.74872325      7.33348626    -16.11886094
  H     14.98976977     11.71983379    -10.96986755
  O     12.56269915      6.65039771    -17.77147728
  H     17.25410322      7.71813311    -16.03240705
  H      9.87450233      9.57801361    -15.29312322
  O     15.20128522     11.33722698    -10.10530571
  H     14.23672910      5.93216417    -15.24383601
  H     10.92584336      8.44383833    -15.21516335
  O     10.81005107      9.40254473    -15.34305768
  H     13.98099659      6.06632459    -16.77367503
  H     13.70380021      8.46260044    -11.19992582
  O     13.67114533      8.27331457    -12.14526501
  H     19.61867001      6.69547272    -16.27792141
  H     14.57773128      8.36660119    -12.48394229
          69
 Energy    -250.34271345641920     
  O     12.53610771     13.89604791    -13.14932541
  H     11.80219917     14.49061920    -13.27823172
  H     19.86788702     12.82964851    -15.00578420
  O     19.12132304      7.47904489    -11.64275552
  H     12.17178868     12.99288546    -13.14946755
  H     13.81195526      9.30082461    -14.99792688
  O     17.35326648     10.95239821    -11.04968290
  H     18.90116977      6.85333338    -12.34281532
  H     13.46982276     10.50394646    -15.87635349
  O     11.45491999      8.34420989    -13.41898452
  H     19.33372554      8.30800544    -12.09097465
  H     15.35917431     10.06610408    -13.45309484
  O     15.69856952      6.63474629    -12.39487673
  H     17.31718305     11.84941296    -10.70136061
  H     15.24068480     11.63050908    -13.42115954
  O     13.09893578      6.81526671    -11.70615117
  H     16.67531358     10.92061884    -11.74560773
  H     15.63643423     11.36643284    -16.63740926
  O     14.93649897     13.16452987    -14.38634960
  H     11.89690312      8.61013079    -14.23456127
  H     14.64688036     11.93991201    -17.67712229
  O     17.99336968      8.44945611    -15.04207096
  H     11.12586502      9.17449253    -13.06303160
  H     15.12589308      8.31439750     -9.72156043
  O     16.81197978      8.31219787    -10.38611254
  H     14.75812248      6.52853350    -12.18232560
  H     14.09230446      8.11269845     -8.59419353
  O     17.27488305     10.87064045    -16.30690611
  H     16.07870296      7.20745949    -11.71577235
  H     16.55266634     13.73068603    -13.72252988
  O     17.95587938      5.91283346    -13.77873308
  H     13.25935293      7.36038480    -10.92785329
  H     17.27821180     13.85413211    -12.36366153
  O     19.14959049     12.29388819    -14.67996221
  H     12.48151807      7.30024012    -12.27098951
  H     17.01611370     14.30703884     -9.83979666
  O     13.07684183      9.87617974    -15.26019125
  H     14.09667624     13.50589309    -14.05335048
  H     15.83815822     13.62905168    -10.57593930
  O     15.37601663     10.84270241    -12.88040036
  H     14.78674379     12.77828022    -15.25881453
  H     13.83402629     12.52241976    -10.62076988
  O     14.72677583     11.69532791    -16.75884049
  H     18.39094272      8.97330120    -14.33016770
  H     13.58675943     13.76003279    -11.49412218
  O     14.18306281      8.39314708     -9.50195067
  H     18.08085143      7.52521593    -14.77865122
  H     18.58848571     10.35337765    -12.27511629
  O     17.42284178     13.84835177    -13.31663831
  H     17.65133440      7.90509333    -10.64723899
  H     19.28583388     10.78123563    -13.57821728
  O     16.80951556     13.67283270    -10.52106386
  H     16.95613938      9.26384037    -10.48731996
  H     12.26240429     10.81942460    -13.83438959
  O     14.10811642     13.44093176    -10.74958928
  H     17.89470673     11.43759274    -15.83151012
  H     12.28245099     11.01741218    -12.28946667
  O     19.12226607     10.01815682    -13.00923800
  H     17.54181123      9.96928739    -16.08841845
  H     13.62251136      9.95526731    -10.35451727
  O     11.82144243     11.27422245    -13.10216675
  H     18.00666547      4.98474830    -13.99203740
  H     14.14981331     10.71554050    -11.60092041
  O     13.45576265     10.71563458    -10.92184653
  H     17.11159932      6.04752873    -13.31412615
  H     15.29831474      7.84060972    -13.71073331
  O     15.30184528      8.52655127    -14.39048521
  H     18.56665934     12.88497370    -14.16965969
  H     16.19812452      8.53726996    -14.75067541
          69
 Energy    -250.34265262784521     
  O     12.45984977     12.01386779    -14.77322990
  H     12.71955800     11.77200498    -15.66915309
  H     19.76566196      8.86994721    -14.08186821
  O     15.89296147      6.83489319    -13.69418672
  H     13.15570435     12.59803615    -14.45115948
  H     15.06589292     12.05836698    -16.76767345
  O     17.70844918     10.19155711    -11.47488096
  H     15.10247339      6.88405355    -13.13918967
  H     16.52152835     11.91094596    -16.25455288
  O     17.74677699     10.56588304    -15.79876510
  H     16.66024547      6.92754537    -13.11435915
  H     16.32839075      9.86157086    -14.91017098
  O     11.92145874      7.46236959    -14.26687270
  H     17.55835866      9.91434971    -10.55859836
  H     15.78273686      8.60130617    -14.15712121
  O     14.21850860      8.98268351     -8.70981216
  H     16.91476607     10.66601357    -11.75954368
  H     11.76163234     10.77575180    -13.65548893
  O     13.64907829      7.25499452    -12.12108814
  H     18.01623758      9.76085156    -16.26136691
  H     11.46838809      9.26022766    -13.54044034
  O     15.39188996     11.36021919    -12.42817243
  H     18.36869591     10.70470199    -15.07226297
  H     17.75721703      6.62524040    -10.58211365
  O     14.61452775      6.33397668     -9.74010813
  H     11.26021650      6.77445207    -14.27199144
  H     18.12717134      5.67293516     -9.42301451
  O     18.35537777      8.03686965    -16.83268377
  H     12.49418620      7.28846462    -13.50111456
  H     18.87809597     10.56516596    -12.76343395
  O     15.91422539      6.90809458    -16.47380970
  H     13.87193223      9.34717481     -9.54256122
  H     20.12073797     11.31874216    -13.28681386
  O     19.68472681      7.92727102    -14.27539036
  H     13.65321377      9.30705083     -8.01353682
  H     18.71873813      7.47765883    -12.84300315
  O     15.78436027     12.53051295    -16.32773673
  H     13.60070751      8.18370086    -11.85581464
  H     17.89477928      8.38973485    -11.89438210
  O     15.58188979      9.51404968    -14.40387891
  H     13.91150082      6.76764591    -11.32620576
  H     17.26017072      8.15009982     -9.10912257
  O     11.48493941     10.08086976    -13.03841603
  H     15.20821779     12.21279283    -12.83978917
  H     16.10603547      9.13490912     -8.86551908
  O     17.48140205      6.31691839     -9.70234405
  H     15.37202785     10.70355215    -13.14419627
  H     12.96651380      8.21679116    -15.62564725
  O     19.44152258     10.70028165    -13.54427059
  H     14.44043381      7.15381739     -9.25938043
  H     14.27059914      9.03933066    -15.52637900
  O     18.07791397      7.46642108    -12.11689867
  H     15.57100877      6.21048329     -9.70520312
  H     12.64071039     10.01266959    -11.71612523
  O     17.05067309      9.09068227     -9.06074672
  H     18.75155108      7.71721856    -17.63901158
  H     14.10850164     10.47684850    -11.50526523
  O     13.63620898      8.66350599    -16.15794849
  H     17.48740054      7.60233440    -16.75630315
  H     15.19502962     13.25904953    -14.85996116
  O     13.42306680      9.89218286    -11.15567941
  H     15.92191614      6.67612493    -15.53326048
  H     14.81916383     14.51740157    -14.03995917
  O     14.78930006     13.56481149    -14.02829721
  H     15.10388573      7.41495527    -16.59922884
  H     13.04474580     11.14217825    -18.16729927
  O     13.50119948     11.12908084    -17.32983197
  H     19.28796994      7.86932752    -15.15286792
  H     13.49540395     10.20721040    -17.02190067
          69
 Energy    -250.34256458653974     
  O      0.51517004      0.03806913      3.10500523
  H      0.37503343      0.99449960      3.09653533
  H     -2.31728256      2.22609376      6.25687979
  O     -2.26127942     -1.36267402     -3.56045109
  H      1.08762005     -0.21247298      2.36591988
  H     -0.54698587      3.42780823      0.43206847
  O     -0.81690734     -0.89544793      5.33686363
  H     -1.49822261     -0.97782432     -3.09726076
  H      0.46998127      3.13498564      1.50939084
  O     -4.18481426     -0.88343999     -1.53316201
  H     -2.11333652     -1.22838645     -4.49311122
  H     -1.50629748      0.49941477     -0.98789176
  O     -1.90852279     -3.74690478     -1.94433829
  H     -0.20422444     -0.69155660      4.61482990
  H     -3.02732209      0.31402234     -0.81349915
  O     -0.06205353     -2.59748352     -0.22658540
  H     -1.18752611     -0.04359482      5.58988653
  H     -2.07721681      0.10639191      1.16508922
  O     -4.69780046     -1.88040072      4.05803887
  H     -4.06963947     -1.68422605     -0.99874792
  H     -1.12995220     -0.15143274      2.39045296
  O     -0.23743671     -0.40543316     -1.93845690
  H     -3.68689951     -1.02325283     -2.34742703
  H     -4.68730113     -3.01040003      0.58871110
  O     -5.15058136      2.42743662      1.90867362
  H     -2.66815985     -3.72194077     -1.34804728
  H     -3.16257141     -3.18208922      0.71289174
  O     -3.84254073      0.80400380      3.78858096
  H     -2.08368735     -3.08165209     -2.61990129
  H      1.89823818     -0.06031704      0.20499437
  O     -2.44741670      3.03177965      1.12255647
  H     -0.52760710     -2.75625063      0.60504760
  H      1.35672673     -1.48680217      0.47207131
  O     -1.94808146      1.77353927      5.50274197
  H     -0.54860613     -3.11805555     -0.88316743
  H     -1.21906800      2.74954912      2.54880779
  O      0.39078540      3.24043387      0.55327099
  H     -4.48475768     -0.93926926      4.10001372
  H     -0.90637912      2.47160622      4.03855925
  O     -2.26782675      0.81400260     -0.48592482
  H     -3.90164649     -2.35268475      4.33004941
  H      1.22836092      2.08268979     -0.48352859
  O     -2.02799154     -0.27407750      2.05060775
  H      0.47831951      0.21793042     -1.76144146
  H      2.44097846      1.83097262     -1.40684941
  O     -3.88516533     -3.14808608      0.06928136
  H     -0.13689926     -1.15159452     -1.32722639
  H     -2.05393741     -3.79948524      5.40857841
  O      1.85767257     -0.76108357      0.86588254
  H     -5.91443796      2.99787954      1.92414068
  H     -1.70708069     -2.35098100      4.99655611
  O     -0.49435957      2.63421318      3.18156155
  H     -5.39574906      1.65062225      1.37315293
  H     -1.89451835     -3.25683479      2.85861128
  O      1.67263801      1.41071335     -1.02867360
  H     -4.37781844      1.40615522      3.25828654
  H     -1.97583577     -2.01133483      1.96754555
  O     -2.22201719     -3.13815587      4.74272996
  H     -3.20658005      0.39566359      3.17750232
  H     -6.84092485     -2.81854807      1.96085065
  O     -1.83300045     -2.97172770      1.94088839
  H     -2.38415702      2.30526186      0.48326895
  H     -5.55821290     -2.23817412      2.60171495
  O     -6.02075933     -2.37744260      1.75574371
  H     -3.36320186      3.01329857      1.42130468
  H     -5.37417368     -0.07002244     -0.31388066
  O     -5.78585674      0.18948321      0.51970926
  H     -2.69764441      1.46152315      4.96650354
  H     -5.94679762     -0.63733400      0.99101949
          69
 Ord_Energy   -250.342560    
 O   -1.79889190       3.45894289       5.06003857    
 H   -2.00905275       4.22103167       5.62930536    
 H  -0.895807683       3.21704197       5.24775457    
 O   -4.83297157       2.08068061       2.75474238    
 H   -4.21179771       2.82178187       2.68379116    
 H   -5.24710989       1.98616827       1.88868737    
 O   -6.21997023       2.36288953      0.297885537    
 H   -6.62759161       1.84395289     -0.390827119    
 H   -6.89181566       2.99258757      0.609357536    
 O   -10.3227844       4.66577387       5.09459257    
 H   -9.86794853       3.87992692       5.41829443    
 H   -10.0799189       5.33983612       5.74128628    
 O   -5.46432161       8.49499226       6.87762976    
 H   -6.17933464       8.38684082       6.23315763    
 H   -5.77340031       8.03376579       7.66425037    
 O   -3.06752610       8.14569664       5.65679693    
 H   -3.91270757       8.31024456       6.11267376    
 H   -2.55103469       8.94214058       5.74553537    
 O   -8.34619617       7.55113935       2.63911057    
 H   -9.02712059       6.88168049       2.50621891    
 H   -7.58641338       7.28553867       2.10536194    
 O   -7.07153893       3.28086829       3.85074663    
 H   -7.46212959       3.62685847       3.03920937    
 H   -6.28834915       2.78433681       3.57837081    
 O   -8.17505264       3.18189883       6.36281013    
 H   -7.49069357       2.75153971       6.88692760    
 H   -7.84224606       3.14965844       5.45246983    
 O   -3.03822112       4.21379042       2.63247252    
 H   -3.34163404       5.10348654       2.86466646    
 H   -2.49002481       3.92637467       3.37345815    
 O   -8.70261669       5.90931463       7.06628180    
 H   -8.45365715       4.99002981       6.88790894    
 H   -8.11828423       6.21654367       7.76971054    
 O   -4.07811594       1.77826226       5.45057583    
 H   -4.35410023       1.66497648       4.53259039    
 H   -3.27106977       2.30611515       5.40922642    
 O   -5.78262424       2.08851385       7.53375292    
 H   -5.18699932       1.93203211       6.77805805    
 H   -5.68561935       1.33890867       8.11496162    
 O   -7.86608791       4.29700518       1.38995123    
 H   -8.74353313       4.62073612       1.62976658    
 H   -7.25683975       5.05117035       1.41273367    
 O   -4.08562946       6.65043354       3.47574139    
 H   -3.63012695       7.28305054       4.04107237    
 H   -4.67436457       6.16036129       4.07297421    
 O   -5.86702442       5.43403101       5.11109304    
 H   -6.31066990       4.70537424       4.65991497    
 H   -6.46791744       6.19243526       5.13868761    
 O   -6.01653767       6.38115263       1.43286729    
 H   -5.47364712       5.87954998      0.806374848    
 H   -5.40555429       6.63534117       2.13689017    
 O   -7.52236700       7.65214491       5.24021244    
 H   -8.11809444       7.14443684       5.80749607    
 H   -7.88888121       7.70043945       4.34575605    
 O   -6.59628582       6.69275808       8.85276794    
 H   -6.00231647       5.99711800       8.52105236    
 H   -6.50494337       6.70452642       9.80216599    
 O   -5.04762554       4.79572582       7.64023304    
 H   -5.24896669       3.85829926       7.74518299    
 H   -5.31338310       5.03127003       6.73552513    
 O   -2.49770117       5.52589893       6.65289497    
 H   -2.62041020       6.42850065       6.33484602    
 H   -3.30326748       5.29346323       7.13238859    
 O   -10.2167788       5.35913420       2.44854164    
 H   -11.1105156       5.47075367       2.13428330    
 H   -10.2813616       5.10079956       3.38406825    
 O   -4.37125683       4.59108973      0.102447823    
 H   -3.75254178       4.42672062      0.825918198    
 H   -4.88812923       3.78234124       1.08068204E-02
          69
 Energy    -250.34212210149065     
  O     18.00638628      8.47578085    -12.74689188
  H     17.19374980      9.00670842    -12.70828154
  H     14.87930380      9.25678068    -13.94236906
  O     12.81821914     11.46772247    -11.47083881
  H     18.50897732      8.72489462    -11.95988271
  H     18.00440709      7.72830883     -7.58534009
  O     18.70353001      9.49398331    -15.19019963
  H     12.21021288     12.13579265    -11.16352620
  H     17.50398075      8.01989344     -6.14949579
  O     12.12097241      9.24592235    -13.17184859
  H     13.61056211     11.93721370    -11.78255714
  H     14.16829619      8.65916420    -10.15215934
  O     16.44604668      6.24817211    -12.08395414
  H     19.28466283      8.92557719    -15.68899713
  H     13.69253982     10.14658808    -10.39989635
  O     19.06069210      9.47070474    -10.39464641
  H     18.50966326      9.03446769    -14.35574383
  H     19.32236081      7.92607947     -9.36857021
  O     19.76070273     12.02563727    -11.33360958
  H     12.28304115     10.03334499    -12.64113678
  H     18.85353459      6.45004592     -9.24448968
  O     16.80748426     10.16295322     -8.87659967
  H     12.81370674      9.22574197    -13.84709932
  H     15.87071051     12.71406319    -11.58843596
  O     12.12769242      6.65016033    -12.38479836
  H     16.93859070      5.72570911    -11.43847446
  H     15.57549917     12.91138234    -13.12170856
  O     16.21186160     10.68375392    -15.97466854
  H     17.03503989      6.95994201    -12.36775625
  H     17.94879146      4.09086046     -9.74877858
  O     14.43518892      6.24214431    -14.11013381
  H     19.44338928     10.30916589    -10.68169858
  H     17.02990007      5.26293718     -9.32449413
  O     14.43486363      8.93491401    -14.74129229
  H     18.25689123      9.69785834     -9.90314283
  H     15.67171477     10.84778043    -12.51288413
  O     17.24555598      8.05297607     -7.06677177
  H     20.52787808     12.58656339    -11.25808703
  H     15.29485082      9.64551484    -11.63333113
  O     14.38706774      9.59375986    -10.02306067
  H     19.49332995     12.03903800    -12.27029379
  H     18.94052276     11.20218840    -14.39338508
  O     19.20410502      7.19694437     -8.74446405
  H     15.92271185      9.98667316     -9.22980957
  H     18.11633355     12.48689618    -14.17399666
  O     15.20052283     12.61205093    -12.28419200
  H     16.93140596      9.54878319     -8.14279757
  H     16.26890910     12.24983321    -15.25068739
  O     17.75232212      5.00684597     -9.92712446
  H     12.04878630      7.58427439    -12.65047042
  H     16.30695109     13.78912520    -15.40785829
  O     15.71492053      9.88468223    -12.46843844
  H     11.26266380      6.26179508    -12.48129932
  H     13.41666505      6.73678666    -11.08588968
  O     18.91921586     12.02989653    -13.89775869
  H     15.51532351     10.06505296    -15.71460794
  H     14.96890960      6.71612386    -11.09335956
  O     16.39947177     13.08755361    -14.76883260
  H     17.04670381     10.22103709    -15.83405010
  H     16.99404565     11.85587121     -9.71437152
  O     14.19615475      6.91597044    -10.54463655
  H     15.16198793      6.10045208    -13.48966138
  H     18.03367597     12.49898614    -10.64597615
  O     17.12037802     12.57616445    -10.34562402
  H     13.62818671      6.22220218    -13.58179954
  H     15.07823874      6.30412934     -8.98533609
  O     15.74562499      5.96644715     -8.37353296
  H     14.45990198      7.96838587    -14.68989830
  H     16.08680443      6.71995951     -7.87680827
          69
 Energy    -250.34192385967077     
  O     14.34212392     12.16474778    -13.91435154
  H     14.89169255     12.41289448    -13.16051170
  H     14.12071277      6.40940744    -16.60133185
  O     14.73962447      6.17686861    -13.54531294
  H     14.95624162     12.01333663    -14.64171223
  H     17.59381303     11.61874741    -14.40210672
  O     17.16587719      7.99576854    -10.47801316
  H     14.64388315      5.89193754    -14.46529346
  H     18.31621305     10.74203494    -13.34403129
  O     18.35245260      8.91989620    -12.90481109
  H     13.86395119      6.33656884    -13.17179137
  H     15.38483375      7.83415445    -13.71621068
  O     13.22232768      8.04679375    -17.04168721
  H     16.83702947      7.64916097     -9.63955870
  H     15.66205479      8.94182132    -14.76248576
  O     13.18278306      7.53282342     -8.88949027
  H     16.53762195      8.68846313    -10.73031324
  H     12.84561431     11.34011280    -13.54241489
  O     12.31968647      6.84046002    -12.37554831
  H     18.24320141      8.64878655    -11.98477143
  H     11.32260729     11.54610780    -13.38919511
  O     15.37980401      9.93319284    -11.38432588
  H     17.46978397      8.82536148    -13.29795414
  H     15.87418501      4.80609855    -10.62850709
  O     17.30940676      6.76239004    -16.68296314
  H     12.57128855      8.06748719    -17.73763176
  H     15.51062291      5.35501040     -9.23979803
  O     12.59047335      5.05924693    -10.23108078
  H     12.74142656      8.17713232    -16.20369515
  H     11.95569851      7.76567593    -13.98656982
  O     18.45636210      6.43623963    -14.25172527
  H     12.85530884      6.70248741     -9.25762037
  H     11.94911343      9.27957261    -14.28058191
  O     14.67658903      5.70721698    -16.24150243
  H     12.92978445      8.21932845     -9.51913752
  H     16.12813128      5.73248535    -12.54626665
  O     18.05381920     11.64855514    -13.55432128
  H     12.46540601      7.67548301    -11.90693768
  H     17.05118487      6.41121785    -11.49618873
  O     15.72094218      8.73539882    -13.82462801
  H     12.29003531      6.15190574    -11.69906937
  H     15.88738217      7.02921280     -7.29436532
  O     12.01296731     10.89237684    -13.31107168
  H     15.43053964      9.61020523    -12.29846601
  H     14.85590797      7.24905363     -8.42538478
  O     15.25873489      4.69085642     -9.89332736
  H     15.66186422     10.85541410    -11.39402321
  H     16.18832731     10.77453037    -16.24653591
  O     11.95032679      8.41198286    -14.70342311
  H     17.91819515      6.42089098    -17.33278928
  H     16.55636086     12.21860557    -16.65216796
  O     16.92161092      5.59749273    -12.00316409
  H     17.72514596      6.61879120    -15.81393526
  H     13.68601439      9.50613492    -11.08579412
  O     15.77250054      6.97711117     -8.23944790
  H     13.54011080      4.85411642    -10.15786875
  H     12.34356470      9.87383031    -11.73402193
  O     16.37587245     11.66179841    -15.89833495
  H     12.11956549      4.28483110     -9.93567801
  H     16.95105714     12.30040080    -12.38979775
  O     12.74150242      9.28612285    -11.08118035
  H     18.02667618      5.95111944    -13.53568802
  H     16.53652797     13.30087375    -11.28115858
  O     16.21963633     12.57025443    -11.80403316
  H     18.68495794      7.29040771    -13.86423429
  H     14.87232929      8.80081534    -16.84542862
  O     15.76418387      9.10175495    -16.62280373
  H     15.58475094      5.94698875    -16.46606876
  H     16.35649515      8.34217730    -16.71012486
          69
 Energy    -250.34133669628855     
  O     12.34730481      3.19560941    -10.80037732
  H     12.00901823      3.47895280     -9.94306020
  H     18.63106068      5.51622495    -16.56557621
  O     18.02826340      5.14999734    -10.36930915
  H     12.86986499      3.94907296    -11.10596093
  H     17.44260861      6.44076752    -12.91084702
  O     14.35368887      8.22234267    -11.99873231
  H     17.51840799      4.41732711    -10.00683846
  H     17.91340015      5.54889566    -14.08511739
  O     14.81460411      8.50396513    -16.47194774
  H     17.98983821      5.08475737    -11.33229414
  H     14.24133957      5.46312863    -10.46461529
  O     17.96205022      7.77583962     -9.75002587
  H     13.93880923      8.69831979    -11.26900590
  H     14.52296823      5.00110571    -11.94826524
  O     14.59454426      5.18892114     -8.70921350
  H     14.28629849      7.28338338    -11.77001552
  H     15.14006294      2.55965849    -11.91979752
  O     16.40413671      3.10708556     -9.15705876
  H     14.77759174      9.19324024    -17.12960212
  H     13.97309768      2.19113629    -10.98087220
  O     13.10438568      7.63384253    -14.41834652
  H     15.66935721      8.59667642    -16.01388352
  H     14.01205325      8.73202613     -9.15780165
  O     15.47002469      5.72108111    -16.76559243
  H     18.77497070      8.03367235     -9.32329225
  H     13.10273597      9.98705909     -9.18350268
  O     11.84857074      4.64794376     -8.38657701
  H     18.01876747      6.81502248     -9.90548068
  H     11.14155450      6.89919720    -10.59914526
  O     17.21930534      8.52217691    -15.20560782
  H     15.18836810      4.42706602     -8.73031841
  H     11.91709764      7.75271118     -9.57779248
  O     18.03485670      5.84875394    -15.90041513
  H     13.71020592      4.89626670     -8.45263078
  H     17.46549395      8.17850632    -11.52062244
  O     17.65498382      5.52838502    -13.15483746
  H     16.81567365      2.42904048     -8.62804076
  H     16.12642618      8.28301152    -12.28650351
  O     13.95200364      5.54233160    -11.38407197
  H     15.90050811      2.65317061     -9.85674032
  H     16.26127241      7.90411073     -8.92706275
  O     14.91564143      2.04565974    -11.13050629
  H     13.57952549      8.00291984    -15.17326623
  H     15.14571085      6.92588485     -8.49320313
  O     13.23844111      9.13689887     -9.59282455
  H     13.55904055      7.96079130    -13.62873231
  H     11.73630194      6.99192508    -13.18303723
  O     11.32669905      6.99361180     -9.65563496
  H     15.18670935      6.64211333    -16.82233496
  H     12.27373750      6.11796229    -12.04592640
  O     17.08090964      8.17239892    -12.40544702
  H     14.78761152      5.26981378    -16.25169103
  H     14.81127040      4.20808956    -13.82281932
  O     15.37016355      7.86426785     -8.56074885
  H     11.61114535      5.49512849     -8.80663969
  H     16.22129631      4.45595935    -13.18079709
  O     11.45275292      6.46971819    -12.42246169
  H     11.25646320      4.53324230     -7.64833735
  H     11.15467962      4.70773250    -13.16759461
  O     15.39595268      3.96044196    -13.09231697
  H     17.25446231      8.54197704    -14.24042670
  H     11.56706198      3.33280979    -12.64432917
  O     11.41383805      3.82330496    -13.45950732
  H     17.64036174      7.69519995    -15.47102752
  H     12.77816715      4.39029479    -14.54786587
  O     13.53502324      4.87209202    -14.91092461
  H     17.13130523      5.72376241    -16.24362972
  H     13.37128843      5.81091850    -14.74467997
          69
 Energy    -250.34038011768001     
  O     -2.69895595      3.99962804      3.69275909
  H     -2.56597309      3.70148419      4.60093550
  H     -1.31877868     -4.01164994      3.15368997
  O     -2.87247685      1.94091627      1.89728707
  H     -1.87286130      4.42785834      3.43693240
  H      0.26654122     -1.57733782      2.21484919
  O     -1.87462626      3.12917168      6.31323713
  H     -2.77269832      1.16660466      2.47028214
  H      0.36055914     -0.05376596      1.98617661
  O      1.98948684     -2.58245740      0.15748208
  H     -2.95746380      2.70623415      2.48406943
  H     -3.62906523     -1.39545437      2.42968859
  O      0.36786028      1.32149890     -1.22841961
  H     -2.04820308      3.57758995      7.13663301
  H     -4.14840830     -1.21035448      1.00195576
  O     -1.40444305     -0.76341928     -0.57963546
  H     -0.97221619      3.37862567      6.04033480
  H     -0.27293009      0.67432028      5.34988227
  O     -2.48801944     -0.32234521      3.43302536
  H      1.92844370     -2.79616249      1.09845761
  H     -1.51042527      1.30469435      6.02877842
  O     -3.91120660      0.41313814     -0.12622540
  H      1.18173092     -2.92509665     -0.24358602
  H      1.86821310     -2.43576164      3.63780417
  O      2.72943067      0.00621968     -0.22923031
  H      1.22246754      0.91741371     -1.03586159
  H      0.72663104     -3.41680011      3.27041605
  O     -0.19159819     -2.17936934      6.03085619
  H     -0.27308887      0.59961039     -1.17125873
  H     -0.92159082     -2.43795630     -0.89654892
  O     -2.02680581     -3.82418605      1.60994170
  H     -1.03468058     -0.78483050      0.31744155
  H     -0.81327976     -3.75920326     -1.69312393
  O     -0.83286572     -4.10415650      3.99351530
  H     -2.29795888     -0.40492830     -0.51404296
  H      0.48690696      4.07134272      4.45699372
  O     -0.24406769     -0.80483987      1.94357749
  H     -1.70711856     -0.58203202      2.91966416
  H      1.02921447      2.80843589      5.17603829
  O     -4.00236412     -1.87918141      1.67853166
  H     -2.15758812     -0.05730929      4.30006893
  H      0.98408132      1.90253106      1.64257481
  O     -1.14841315      0.46941333      5.70991102
  H     -3.62607077      1.04838213      0.55278746
  H      2.12011156      0.89534500      1.27861036
  O      1.42521671     -2.86355328      2.89460336
  H     -4.59477278      0.84290198     -0.63354125
  H      1.45947032     -1.84958987      5.63985674
  O     -0.58117464     -3.34859808     -0.86374860
  H      3.60223899      0.00725573     -0.61325811
  H      2.98445392     -1.91444840      5.90987626
  O      0.59186034      3.65769246      5.32298135
  H      2.47562362     -0.92735196     -0.11942741
  H      1.57858631      1.14308273      3.78870902
  O      1.62019666      1.27458827      2.01345453
  H     -0.58662308     -2.76458629      5.37277767
  H      1.87492181      0.19243733      4.97357824
  O      2.33498577     -1.61052580      5.28145990
  H     -0.68501720     -1.34894201      6.01918633
  H     -0.14321072      4.18616179      2.05933586
  O      1.44732846      1.02506663      4.74105720
  H     -1.55579820     -3.75838836      0.77356578
  H      0.19591679      5.65142391      2.40738909
  O     -0.07981424      4.82236475      2.79089026
  H     -2.77179690     -3.20634858      1.56720174
  H     -1.25634040      2.49369630      1.19414904
  O     -0.39691805      2.84056279      0.91738445
  H     -1.00666483     -4.98753070      4.30835279
  H     -0.16996999      2.43252921      0.06838351
          69
 Energy    -250.34035978570608     
  O     12.36200023      2.96098385    -10.55683635
  H     11.82007638      3.55712264    -11.08997690
  H     11.58564190      8.66207849    -13.81502060
  O     18.42960618      4.92687860    -11.76468255
  H     12.43195160      3.38863809     -9.69594279
  H     12.92510723      5.57370598    -11.69493583
  O     14.38009006      8.46092702    -11.73028731
  H     17.92596167      4.21423499    -11.35266245
  H     14.25031118      5.29840961    -12.43935116
  O     18.59695072      7.35261057    -10.58174670
  H     18.09024864      5.03678387    -12.66163566
  H     13.86329130      2.46638493    -11.51587366
  O     15.11266136      4.93995304     -9.38551564
  H     14.27572104      8.79671971    -10.83353916
  H     15.41339457      2.41851737    -11.47191080
  O     16.84550507      3.04730772    -10.33069427
  H     14.17344802      7.51275941    -11.69864811
  H     14.99839633      8.45120916     -8.86639914
  O     13.41083065      8.79871326    -14.28984330
  H     18.58931976      6.45361944    -10.95829294
  H     14.28703578      9.75866711     -8.43664233
  O     16.14031114      6.86062539    -16.62803130
  H     19.50692044      7.56161896    -10.38843324
  H     11.44023767      7.31508885     -9.59935951
  O     12.66471762      4.54778291     -8.13514901
  H     14.71136749      5.23319613    -10.21793446
  H     12.75032004      7.75485744     -8.89976697
  O     16.07508328      9.17676492    -15.22451910
  H     14.37282702      4.72862167     -8.80250807
  H     17.57700810      8.03301790    -12.00127974
  O     17.15231301      5.77157776    -14.16318711
  H     16.25503018      3.69844682     -9.91404140
  H     16.08700744      8.31266845    -12.32790281
  O     10.73635358      8.28570341    -13.55036873
  H     17.18384997      2.49346529     -9.63114622
  H     17.15235152      7.42275326     -9.36352491
  O     13.86370124      5.79878070    -11.70841712
  H     13.72156217      8.76300637    -13.37168090
  H     15.99169804      6.49774381     -8.93630715
  O     14.65435608      2.33149617    -12.05887004
  H     13.48437860      7.90259605    -14.64574896
  H     10.40532318      7.91493312    -11.87653245
  O     14.19010574      8.98411262     -8.98357028
  H     16.16642815      7.74154460    -16.21170403
  H      9.31010397      7.83619593    -10.79086520
  O     12.06462852      7.07616040     -8.90393733
  H     16.50597678      6.95820912    -17.50291799
  H     15.70661436      4.67276027    -13.91535255
  O     16.95763477      8.17253770    -12.72712602
  H     12.40200638      5.45189099     -8.38751014
  H     14.78126421      3.53498176    -13.31533960
  O     16.35512618      7.38669558     -8.82235827
  H     12.27606550      4.37752709     -7.28173910
  H     11.07730232      5.20033604    -12.96273029
  O     10.19782754      7.55368768    -10.99656704
  H     16.52755258      8.98513101    -14.39202712
  H     10.71819939      5.84625531    -11.60048317
  O     14.79954853      4.34520821    -13.84750015
  H     15.14197545      9.27656987    -14.99397814
  H     10.53859402      5.24412477    -15.47877125
  O     11.16239770      5.09139160    -12.00714939
  H     17.06998312      6.59361653    -13.65595607
  H     11.90452925      5.86890784    -15.12233324
  O     11.00382360      5.71525148    -14.79175860
  H     16.95839544      6.00935595    -15.07736820
  H     14.36942771      6.41071716    -16.04124551
  O     13.63078005      6.18089124    -15.46592191
  H     10.66191971      7.46192049    -14.04754649
  H     13.96392627      5.46661188    -14.89857476
          69
 Energy    -250.34012449448616     
  O     16.47661241     11.54391087    -10.60312674
  H     16.86935518     10.66823485    -10.43021100
  H     14.01215855      7.84873066    -13.96461445
  O     12.07053822      6.49827268    -11.58729624
  H     16.75699410     12.11204455     -9.88943631
  H     15.18800546      5.11514476    -15.80502564
  O     17.39126572      9.92806372    -14.99029889
  H     12.60572978      6.94586844    -10.91634351
  H     14.28110599      6.04773379    -14.95513013
  O     17.62916403      8.20813532    -12.81307149
  H     12.59311591      5.74752090    -11.89166613
  H     16.42257607      5.49822341    -14.04995788
  O     16.76715938     12.12179234    -13.31455280
  H     16.53132763      9.74676802    -15.39924336
  H     17.91685933      5.57060746    -14.41846542
  O     13.86178182      7.89546113     -9.98307681
  H     17.27812672     10.71880546    -14.44902485
  H     14.56831009      8.16243958    -11.66906905
  O     14.91001360      9.52676196    -16.18724206
  H     17.65211027      8.76861024    -13.59878342
  H     15.81591350      8.38896902    -12.57682323
  O     14.25239996     11.76819676    -14.73714448
  H     17.59383948      7.28766816    -13.10866451
  H     14.64984936     10.99972342    -10.23849192
  O     16.09482582      5.23928815    -17.41599737
  H     17.16672763     12.98877237    -13.34280135
  H     13.29104653     10.73359631    -10.90714425
  O     11.08746411      8.24105956    -13.40339516
  H     16.64299001     11.90750187    -12.37661195
  H     14.09066261      4.57760941    -13.40728202
  O     16.16025878      5.13184212    -11.14234711
  H     13.80194538      8.85384508     -9.85040653
  H     13.47589012      3.44862080    -12.55364626
  O     13.48320094      7.61502448    -14.74625452
  H     14.63823502      7.56904042     -9.51331351
  H     13.63630907      9.81236281    -12.68254405
  O     14.79252852      5.22435383    -14.93115647
  H     14.35866100      8.84668233    -15.77754729
  H     12.12114630      9.80112642    -12.94769743
  O     17.30401105      5.61004690    -13.67013587
  H     14.61204256     10.37582279    -15.82834467
  H     16.28472151      6.18937301     -9.77911145
  O     14.85449336      8.44201842    -12.54857549
  H     15.05317161     12.00194020    -14.25478901
  H     16.53689714      6.35051351     -8.26089803
  O     13.76730166     10.65002366    -10.06985386
  H     13.64313511     11.41945625    -14.07134158
  H     17.85572353      5.45732467    -16.59723234
  O     13.75799747      4.36016394    -12.52102593
  H     16.10902129      6.18285409    -17.65927560
  H     18.80917430      6.63452821    -16.32249525
  O     12.85610904     10.38702697    -12.73079668
  H     15.97888966      4.74932386    -18.22577312
  H     17.16390020      8.36816862     -9.72124134
  O     16.28969312      6.83175936     -9.04578149
  H     11.37229672      7.60307805    -12.72267681
  H     17.72538374      8.77192057    -11.10034607
  O     18.62149958      5.72158526    -16.07217381
  H     10.14168760      8.15657654    -13.48243147
  H     17.22941175      8.11907572    -17.73747352
  O     17.53596500      9.10951660    -10.21247371
  H     15.30464114      4.83821921    -11.47618416
  H     15.75893825      8.50704343    -17.48570674
  O     16.32160523      7.88020332    -17.96056430
  H     16.72218797      5.22092558    -11.92289711
  H     18.45494698      9.06511160    -16.15388602
  O     18.87940569      8.49898590    -16.81924474
  H     12.56726373      7.78442323    -14.49793801
  H     19.64136893      8.97606455    -17.13877582
          69
 Energy    -250.33933714398970     
  O     13.70736084      4.21743001    -14.94739669
  H     13.03590213      4.59254739    -14.34841281
  H     19.34933504      8.88365295    -12.42117961
  O     16.56147223      7.28937465    -10.55637375
  H     13.25039030      3.62202686    -15.53489487
  H     17.41143484      9.72551736    -15.80782895
  O     16.45191884     11.64605822    -11.76422936
  H     16.34350511      7.95310284    -11.23166578
  H     16.38950304     10.83536590    -15.49519795
  O     17.53221584      7.83528532    -16.25963199
  H     17.24507360      7.69354070    -10.00962572
  H     15.48379079      8.90007292    -13.25080879
  O     15.18440048      3.56286896    -12.53146051
  H     17.24069824     11.93113331    -12.23785147
  H     17.02296308      8.73436985    -13.05287952
  O     12.23112421     10.36358207    -11.41829424
  H     16.32137218     10.72175054    -12.03161477
  H     12.26031760      4.83901160    -12.26517539
  O     13.88904870      7.00277814    -10.02114555
  H     17.84796762      7.48554387    -17.08954886
  H     12.00805856      6.17882065    -12.96828582
  O     14.51487082     10.97874879    -15.50103039
  H     16.83737680      7.23127961    -15.94963843
  H     16.21976707     11.10465172    -10.01419875
  O     13.59097643      9.58415785     -8.96222499
  H     14.70224543      3.61770932    -13.36497625
  H     16.91258402     10.04356351     -9.14527000
  O     18.55795729      7.71433013    -13.62444140
  H     14.54308083      3.77561339    -11.84178493
  H     12.84485610      3.94708594     -9.87877346
  O     17.04043730      5.57150778    -12.68927591
  H     12.75646540     11.01343497    -11.90845800
  H     13.40721902      5.31076502    -10.33480425
  O     19.50363550      9.59867341    -11.78870711
  H     12.66889956     10.23644671    -10.56924517
  H     18.26235844     11.39575345    -14.17478305
  O     17.32965359     10.61657860    -15.45138359
  H     14.85003699      7.01071701    -10.14198856
  H     19.25802035     12.51792873    -13.80606180
  O     16.20773614      9.02946839    -12.62702297
  H     13.67335771      7.83171775     -9.57395485
  H     19.19249078      8.87551214     -8.72912353
  O     12.00251197      5.22267032    -13.11265949
  H     14.30810094     10.07883864    -15.19398241
  H     18.87580128      9.21577558    -10.20316833
  O     16.10725410     10.56805258     -9.21733510
  H     13.91197853     11.17048262    -16.21534003
  H     14.07514488     11.80753292    -13.78884783
  O     13.18546883      4.41441006    -10.63760611
  H     14.49458998      9.94030788     -9.03287797
  H     14.76507261     12.07423461    -12.44385428
  O     18.73154008     11.81625069    -13.43244595
  H     13.22589330      9.93144432     -8.15227283
  H     14.99858971      5.50085934    -15.15186370
  O     18.47841558      8.94062863     -9.35720859
  H     18.41010874      7.75182040    -14.57640126
  H     16.12629565      6.01515903    -14.21990389
  O     13.89949725     12.04774200    -12.87282668
  H     18.20680656      6.86631997    -13.31701244
  H     12.27313792      8.75869904    -12.11527655
  O     15.65587419      6.20089716    -15.04591673
  H     16.51254947      4.76423746    -12.60243250
  H     13.02971701      7.50878607    -11.62354525
  O     12.53089174      7.85909172    -12.37209950
  H     16.90327437      6.07599953    -11.87520159
  H     14.60257413      7.66506737    -14.73761458
  O     14.16351648      8.48203195    -14.47001492
  H     19.32812213     10.41279069    -12.27531536
  H     13.52119130      8.26169378    -13.77899300
          69
 Energy    -250.33925019955328     
  O     12.50603221     12.71441098    -10.93631784
  H     12.35889120     11.78063584    -10.73923259
  H     13.70974668     13.05021599    -17.30611570
  O     14.94396891     11.86215240    -17.55351143
  H     13.12099947     13.04998321    -10.27015803
  H     11.28125130     13.19629177    -14.38446389
  O     16.26230268      9.57914684    -11.48506436
  H     14.86403184     10.96663264    -17.20303480
  H     11.86569047     13.03132966    -15.81243450
  O     13.46749275     15.94055056    -12.65674968
  H     15.86337361     12.12101907    -17.41225516
  H     17.13340976     14.81885681    -11.93722018
  O     14.93133597      9.47182574    -16.03671483
  H     16.72556430      8.93071316    -12.03373972
  H     18.67192174     14.98301589    -11.95461625
  O     17.31814795      8.03087668    -13.51699760
  H     16.55112609     10.44734265    -11.80324093
  H     11.64975838      9.39653899     -9.94712153
  O     14.30042683     12.53752050    -13.14069653
  H     13.86195583     15.72204206    -13.51308865
  H     12.75286566      9.45630107    -11.02765917
  O     13.73081549      8.81029493    -12.37948856
  H     12.60791924     15.50657088    -12.66783814
  H     18.34670464     12.72704593    -17.52385257
  O     17.30802746     10.47518603    -15.00211610
  H     14.83506274      8.57931837    -15.68532148
  H     17.56701764     13.26177024    -16.29793712
  O     17.30378750     14.54375443    -15.18390261
  H     15.75784509      9.81789486    -15.66487520
  H     14.29623871      7.58792404    -13.65633848
  O     12.95211558     10.47531058    -14.37807416
  H     16.55288475      7.57484195    -13.88540440
  H     14.31505354      6.25999943    -14.44358347
  O     13.05265043     13.73899333    -17.09753923
  H     17.48276362      8.78174194    -14.10368542
  H     14.04741553     10.35221349     -9.44780078
  O     11.39279872     12.56874383    -15.10864951
  H     13.76278471     12.70103128    -12.35793591
  H     15.50741145     10.24244878     -9.91867430
  O     17.94931459     14.54825436    -12.39828267
  H     13.86349597     11.82552797    -13.62708876
  H     14.80502190     12.42151486     -9.16183963
  O     12.33887394      9.95245623    -10.30200627
  H     13.40499610      9.41436040    -13.06739216
  H     14.58604561     13.64667765     -8.24379445
  O     17.65187348     12.50723043    -16.90951754
  H     14.60439123      9.11436626    -12.08852537
  H     17.41524766     12.77700508    -12.53413283
  O     14.70256187      7.13124653    -14.41008516
  H     17.22717569     11.00341936    -14.19502537
  H     16.00132972     12.21631630    -12.83162947
  O     14.93713815     10.67959743     -9.27172283
  H     17.55612722     11.09279476    -15.70117799
  H     11.51456287     13.69134248    -12.06365634
  O     14.55930443     13.36373194     -9.15439359
  H     17.62037235     14.60540503    -14.27570541
  H     10.25108264     14.50187747    -12.42551438
  O     16.92459027     11.96053945    -12.67878213
  H     16.35066513     14.70723527    -15.14097452
  H     14.88176917     15.48799204    -11.59281732
  O     11.10698687     14.23799331    -12.75602431
  H     12.30759157     11.11895492    -14.70863628
  H     15.32441061     14.55888063    -10.43162023
  O     15.65447728     15.14154899    -11.12371707
  H     13.53848314     10.20085242    -15.09592778
  H     14.01928260     14.47883319    -15.69200368
  O     14.54359449     14.69484008    -14.91190724
  H     12.80399250     14.14124145    -17.92531676
  H     14.45430867     13.94802729    -14.30044533
          69
 Energy    -250.33843229445273     
  O     10.99271291     10.79630703    -11.46719180
  H     10.44392995     10.47492490    -12.19424746
  H     16.12817696     11.81126329    -14.82363353
  O     13.60891381      7.82338447    -15.05447705
  H     11.76797670     11.20140201    -11.87331249
  H     15.43560178      9.20130177    -12.65774490
  O     17.63832506     10.07970320    -10.64679580
  H     13.93432970      7.85880110    -15.96141391
  H     16.20574058      9.43624750    -13.98681681
  O     17.32674722      8.26056003    -16.34831084
  H     14.31367147      8.19688154    -14.50025512
  H     10.57668277      8.80402000     -9.01313342
  O     11.94773230     10.02731704    -14.91600253
  H     17.78023938      9.19449275    -10.28822012
  H     11.03065680      9.45491913    -10.34293453
  O     15.75573895      5.99194871    -10.39893061
  H     16.68132293     10.18561878    -10.73363365
  H     19.26059842      8.27257383    -12.77172575
  O     12.95125876      6.22704632    -12.91319136
  H     16.48808892      8.26674342    -16.82703966
  H     18.50825213      6.96696274    -13.13120348
  O     14.89694115     10.07447408    -11.16066293
  H     17.28951869      7.51222900    -15.73912979
  H     11.17816541      6.72364323    -12.48436410
  O     14.74046194      8.50089835    -17.54064489
  H     11.06883033      9.83265290    -14.57005227
  H     10.51997537      7.53402585    -11.34388263
  O     15.30627673      4.65054487    -12.69299979
  H     12.43514176      9.19096769    -14.95237311
  H     18.65752683     10.24347126    -12.03340307
  O     17.36634456     10.55280570    -14.86460310
  H     16.57123864      6.46960226    -10.20455854
  H     20.02447945     10.68952275    -12.60917708
  O     15.37250714     12.42236399    -14.78797805
  H     15.02863611      6.61784165    -10.28627920
  H     16.52162827      7.28205703    -13.81428281
  O     15.63943047      8.81202124    -13.51552679
  H     13.09972837      6.72060446    -13.73302036
  H     16.48333037      5.74607093    -13.76118023
  O     11.03030819      8.62528312     -9.83203307
  H     13.65905323      5.57299491    -12.86468776
  H     18.85953898      7.06115622     -9.37545590
  O     19.15687396      7.34671846    -12.52302884
  H     14.39548501      9.29735270    -10.87447127
  H     18.58154968      7.29058296    -10.88083793
  O     10.37089378      7.19143049    -12.23410577
  H     14.31219374     10.62274689    -11.70137091
  H     13.06914139     10.74433792    -16.22989583
  O     19.21952219     10.22861737    -12.83018072
  H     14.52112255      8.35270086    -18.45668632
  H     14.38897593     11.52877968    -16.18542829
  O     16.99434243      6.48648813    -14.10606284
  H     14.47006295      9.41328188    -17.33149272
  H     12.70892691      7.98258191    -10.20210529
  O     18.19426974      7.36139813     -9.98937702
  H     15.39573373      3.71070046    -12.55954156
  H     13.33674039      7.25202626    -11.41953617
  O     13.85937419     10.95224672    -16.74781815
  H     15.51849964      5.07658168    -11.84134187
  H     14.02242126     11.94139848    -13.49691378
  O     13.54893572      7.72823790    -10.60407734
  H     17.46496318      9.81701481    -15.48933002
  H     12.83862504     10.97428552    -13.63798379
  O     13.33130316     11.49920068    -12.98974221
  H     18.08208191     10.49531032    -14.21705244
  H      8.66022330      9.37536636    -13.78253607
  O      9.58703110      9.41871431    -13.56448981
  H     15.72538014     13.29974889    -14.91562925
  H      9.81927983      8.57106902    -13.14397412
          69
 Energy    -250.33839402336122     
  O     11.43440598      6.54731917    -12.91714036
  H     11.82728412      6.89520010    -12.10307625
  H     14.54441827      6.05449652    -15.23098491
  O     17.61856948      9.89780482    -14.58631808
  H     11.89969941      5.72043776    -13.08653947
  H     16.16550956      5.73290106    -13.55974003
  O     17.08673160      8.56813722    -12.20243395
  H     16.93477014      9.64332626    -15.22382396
  H     17.69078021      5.77671147    -13.37807082
  O     16.80403616     12.48661329    -13.93693989
  H     17.45512018     10.82328682    -14.36319716
  H     13.90126919      8.19668265    -12.20497901
  O     13.01563486      7.44278879    -10.83663414
  H     17.36736156      9.02167004    -13.00875947
  H     15.31619571      8.67331652    -12.65224281
  O     15.65652799      9.33955216    -16.48162000
  H     17.06526601      7.61772868    -12.38828291
  H     14.72681410      9.80376025     -9.55975653
  O     14.56140171     11.68677900    -15.57102103
  H     17.19175112     13.35525063    -14.00108727
  H     13.41042120     10.45309598    -10.02754494
  O     17.11111959      5.02757050    -16.81920554
  H     16.42027980     12.41490547    -13.04420956
  H     13.80784587      4.50021815    -13.89660670
  O     11.10477811      8.45546160    -14.80279366
  H     13.23184366      8.16229006    -10.22735054
  H     12.95496745      3.31942116    -13.38172112
  O     14.74632962      5.31832289    -11.06540531
  H     13.64779789      6.71732914    -10.72006139
  H     13.36056342      9.97578739    -13.40271778
  O     13.75540153      7.64385439    -15.38565411
  H     14.98306049      8.69984346    -16.21429827
  H     11.99676934     10.02450778    -14.10694580
  O     15.01351588      5.24573743    -14.97649753
  H     15.26734145     10.21387483    -16.33104931
  H     18.42740866      5.34490481    -15.41045437
  O     16.85522896      5.92353866    -12.91084989
  H     15.25723427     12.06687541    -15.02143698
  H     19.27237308      6.54838741    -14.96030984
  O     14.39238303      8.62816217    -12.91857470
  H     13.85090198     11.42805746    -14.97075701
  H     17.25813672      9.86354144     -9.27096866
  O     13.76654681      9.72147386     -9.50925213
  H     17.23966652      5.93628863    -17.14651861
  H     16.82607112      9.44785049    -10.69592789
  O     13.15129782      4.24058371    -13.22884019
  H     17.28446832      4.44431382    -17.55328616
  H     18.36019074      7.85890370    -17.03608895
  O     12.66782914     10.58709153    -13.70322008
  H     11.15587359      7.77023074    -14.11009628
  H     16.89498864      8.24491941    -17.32940871
  O     18.94916393      5.68556230    -14.67325989
  H     10.24480062      8.37436699    -15.20546382
  H     14.74768858     12.17739297    -11.39743300
  O     16.59213674     10.01005531     -9.93788652
  H     14.18919810      4.83899625    -11.69187987
  H     16.06027275     11.53138533    -10.90355050
  O     17.57895334      7.59329671    -17.53629108
  H     15.58169111      5.46715694    -11.52496778
  H     18.99177214      8.94037838    -15.22283933
  O     15.70660192     12.20091923    -11.50198998
  H     12.81779369      7.86049056    -15.43244476
  H     20.44524168      8.77234879    -15.72049238
  O     19.60918355      8.31943972    -15.64363405
  H     14.03849152      7.93401051    -14.50238975
  H     12.70746457     11.46226137    -12.13825960
  O     12.89608296     11.85557805    -11.27041077
  H     15.69317294      5.08291325    -15.64235574
  H     12.19000421     12.47077888    -11.08813296
          69
 Energy    -250.33818757020668     
  O      0.90480737      0.28854579      5.47287707
  H      0.74410013      1.19665285      5.16457013
  H     -2.33142948      1.12635110      2.75916969
  O     -0.90070267      3.55841188      0.96316290
  H      1.01277706      0.33682603      6.41933648
  H     -2.39069842      4.26874246     -1.64121324
  O      1.08837134      3.96644376     -1.76702498
  H     -1.51077781      3.88833089      0.28929419
  H     -3.49936274      4.18660693     -0.53558133
  O     -0.46576376     -0.34880587      0.40081002
  H     -0.23944525      2.99948666      0.54029730
  H     -2.94777631      0.83477090     -0.99631283
  O      0.45430497      2.76946965      4.39994792
  H      0.25506256      3.81499119     -2.22625051
  H     -1.48749851      0.37964204     -1.02499567
  O      2.11378800      5.94332792     -0.22500535
  H      1.24107588      3.16064126     -1.25077456
  H     -3.72065758      5.32717958      2.42869027
  O     -2.78798502      6.39997812      1.39769420
  H     -1.11980761     -0.10054574      1.06939498
  H     -4.85943892      5.09546059      3.44766309
  O      2.62464389     -0.38669573      3.29961396
  H      0.07596960     -1.04201019      0.79778090
  H     -1.65457566      3.07047366      2.43032651
  O     -0.84848850     -1.37987172      3.92469118
  H     -0.46609923      2.80242709      4.10533398
  H     -2.85456795      3.41639614      3.33764352
  O      3.52897613      4.81460472      1.92545304
  H      0.79122000      3.67779007      4.40700749
  H     -1.66032931      3.04482614     -3.77746258
  O      0.00461290      6.06418217      1.71773351
  H      1.73348778      5.25667326     -0.80241775
  H     -1.68585269      2.34302795     -2.40169617
  O     -2.40085015      0.24323120      2.37151574
  H      2.36744978      6.66478053     -0.79496690
  H     -4.88928540     -0.17199235      0.38799420
  O     -2.71652312      4.67954442     -0.83267719
  H     -2.81213439      5.98409596      0.52416784
  H     -3.65335108      0.37539945      1.13690337
  O     -2.13399357      0.90919356     -1.50833076
  H     -1.85090859      6.51626017      1.59790264
  H     -4.65909509      2.37819171      0.43947665
  O     -4.20664487      4.64136916      2.92171943
  H      2.15695631     -0.24799962      4.13316703
  H     -4.68739664      3.67345690      1.29300345
  O     -2.08409651      2.84041073      3.27207415
  H      2.72757920      0.49538562      2.91871514
  H      2.88407735      3.09990487      2.26908523
  O     -1.46560672      3.17774886     -2.85339954
  H     -0.23522273     -1.78018382      3.29612364
  H      1.71421114      2.44363457      3.05406326
  O     -4.26073799      0.54557900      0.39685639
  H     -0.30508491     -0.85630471      4.52689517
  H      0.63120076      1.04438738      0.07775079
  O     -4.74894831      3.33787187      0.39069061
  H      4.44733681      5.06145760      1.84358362
  H      1.65142562      1.95556923      0.81601033
  O      2.41649741      2.26817207      2.41213340
  H      3.06827075      5.20440755      1.16603586
  H      1.70869859     -1.53552018      2.36569045
  O      1.13268844      1.86705927      0.00466846
  H     -0.31010529      5.16802412      1.51927892
  H      1.54658204     -2.95473531      1.77028176
  O      1.08473145     -2.13377730      1.91618196
  H      0.67974744      6.23868978      1.05304563
  H      2.31206110      5.19418430      3.48020502
  O      1.48433153      5.27498706      3.96606863
  H     -1.97187344     -0.37643008      2.97950671
  H      0.87393845      5.66874505      3.32645256
          69
 Energy    -250.33741493998366     
  O     13.23061026     11.96589956    -14.22134195
  H     12.76290034     11.60883407    -13.45677375
  H     14.94657543      6.83557446    -17.07609427
  O     14.92759796      6.23467813    -13.93358521
  H     14.05517681     12.35103423    -13.89961670
  H     15.14696417      8.01333320    -14.27483339
  O     18.14770623      8.79276918    -11.65510844
  H     14.32769362      6.36093255    -13.18533334
  H     14.82826839      9.34241832    -15.03221451
  O     17.34016318     11.70388980    -15.34605123
  H     15.82595072      6.17931254    -13.58043971
  H     11.59502210      9.84860419    -12.63566150
  O     11.98914762      8.01406178    -16.23173214
  H     17.40548375      9.40715096    -11.75559932
  H     10.90329941     10.98298265    -11.84165849
  O     15.08134668      7.86315509     -8.74402481
  H     18.13423616      8.49134375    -10.73854130
  H     17.39202736      6.04376405    -10.00970542
  O     13.29149795      6.85908274    -11.80450786
  H     17.00048932     11.23205546    -16.11089648
  H     17.26246740      5.53171976    -11.45589368
  O     15.96147560     10.38743323    -12.19444540
  H     18.00474884     11.13013719    -14.93434580
  H     11.99948436      7.65820703    -12.93875531
  O     16.42386936      7.71489792    -17.99001147
  H     11.27767714      7.73544784    -16.80218866
  H     11.64607563      8.15627556    -14.36859759
  O     14.40021250      5.26534980     -9.79550133
  H     12.73887583      7.41543577    -16.40264620
  H     18.86841556      9.12391354    -14.72045413
  O     17.78555749      7.79062438    -15.51288011
  H     14.60471565      8.47758687     -9.31838446
  H     18.95845024      9.58478804    -13.26014331
  O     14.17994374      6.48989309    -16.60603151
  H     14.74841955      6.98383786     -8.96091171
  H     17.78096531      7.24295319    -12.55589136
  O     15.45268572      8.91635200    -14.43400285
  H     13.51285266      7.73384691    -11.45291193
  H     17.82475540      6.67630400    -13.98181694
  O     11.75441351     10.67326665    -12.14020996
  H     13.53991401      6.22314441    -11.12177635
  H     18.22154690      7.78837377     -8.25385414
  O     17.00737210      5.33796850    -10.54484559
  H     15.96457902     11.31387060    -12.46028217
  H     16.82106487      7.82164551     -8.91135304
  O     11.48941473      8.31474217    -13.43078344
  H     15.79438509      9.87485461    -13.00243421
  H     15.12629591     10.42382364    -17.21718486
  O     19.08430893      9.88679503    -14.16747290
  H     16.68453069      7.51374101    -18.88574472
  H     15.93014240     11.17865101    -18.30210668
  O     17.58752178      6.44696876    -13.07425925
  H     16.30227095      8.67705333    -17.94268128
  H     13.09205124      9.89678481    -11.07714350
  O     17.77024448      7.69228826     -9.08808688
  H     14.19983690      4.43943490     -9.36401485
  H     14.62704148      9.76898935    -11.19434930
  O     15.97951263     10.45096783    -17.68643579
  H     15.32746067      5.21129569    -10.09032734
  H     16.37545637     12.51071060    -14.16792474
  O     13.84987522      9.39651595    -10.75187785
  H     17.04463385      8.27737971    -15.11721936
  H     16.15790131     13.75486945    -13.27288461
  O     15.82322268     12.88115972    -13.45413732
  H     17.51228754      7.61486333    -16.41859845
  H     13.02090271      9.55675349    -16.27933336
  O     13.71449627     10.22468249    -16.22575974
  H     14.47958941      6.23932082    -15.72008609
  H     13.46245748     10.88773424    -15.56275085
          69
 Energy    -250.33690250500626     
  O     -1.19751629     10.90531035      0.82969466
  H     -2.10514101     11.22098542      0.93126644
  H     -4.81418588     12.48641563     -2.53042967
  O     -0.39285157     14.86402591      2.59019123
  H     -0.70508377     11.64395034      0.43468464
  H      0.37406923      6.15171711     -0.38218675
  O      0.18068844     14.57803570     -3.34287609
  H      0.31259023     15.16187300      2.00016736
  H      1.07613202      7.35736126      0.28885312
  O     -1.98211804     14.40464622     -1.55910214
  H     -0.00232857     14.16989664      3.13315541
  H     -1.55167857     11.26425242     -3.75455755
  O      3.25387299     11.34996807      0.81174166
  H     -0.62944157     14.66806706     -2.82343984
  H     -1.74080041     10.23944833     -2.61215868
  O      1.96404926      8.03578642      1.62509278
  H      0.10264868     13.74776005     -3.82818899
  H      2.15403463      7.65750214     -1.58842154
  O      4.35312072      8.84508886      0.23477022
  H     -2.69846543     13.80692677     -1.81195257
  H      2.50738734      8.86718370     -2.47479887
  O     -0.61424261      9.38522704     -1.40640788
  H     -2.20146420     14.72432695     -0.67354303
  H      0.74063220     10.04583210     -2.43149435
  O      0.10375910     12.92425113     -0.41403918
  H      2.45997073     11.09170308      1.30229096
  H      1.92691352     11.06093269     -2.56297314
  O      2.49917446     15.20494314     -2.07746822
  H      3.74860646     10.53940142      0.63787437
  H      0.11344983     11.85871702     -5.56889693
  O      1.04286359     10.58233096      2.37532517
  H      2.84824505      8.24426853      1.30007102
  H      0.55601464     11.40290112     -4.16075878
  O     -3.99179979     12.50551933     -2.04902854
  H      1.62364401      8.85077719      2.01838580
  H      1.95843058     15.33253425     -0.22888261
  O      0.66555093      7.04572266     -0.53817422
  H      5.22237347      8.45536774      0.20220955
  H      1.02663249     14.28899872      0.39422814
  O     -2.21609668     10.84817243     -3.19349322
  H      3.90349289      8.60235715     -0.59450088
  H      1.96306948     13.19477808      3.53130223
  O      2.89728516      8.15404114     -1.95417316
  H     -0.85901458      9.85681248     -0.59722451
  H      1.36442785     12.96792343      4.94033179
  O      1.44127565     10.35872099     -3.02395273
  H     -0.28278934      8.51933012     -1.13948309
  H     -1.87944489     14.88783803      1.68607920
  O     -0.02498623     12.01919359     -4.63828727
  H     -0.56898475     13.38416534     -0.93357102
  H     -3.22074135     15.62521012      1.49238949
  O      1.58203116     15.05384002      0.61284951
  H      0.84943602     12.71181034     -0.98877283
  H      2.90276143     12.12597577     -0.77277612
  O      1.17056502     12.89005912      4.00967243
  H      3.00894864     15.82139336     -2.59570270
  H      2.75567372     13.34596479     -1.76240084
  O     -2.67430045     14.93427683      1.12649789
  H      1.67122106     15.04339997     -2.56631028
  H      2.78306885     14.26287362      1.80786648
  O      2.57351832     12.40719044     -1.63982297
  H      0.19261942     10.62024202      1.91264847
  H      3.44885161     12.87887527      1.89211682
  O      3.23249194     13.66095545      2.41707008
  H      1.03283679     11.28846022      3.03234149
  H     -3.85030339     12.24754038     -0.15069332
  O     -3.61063335     12.22469689      0.78431661
  H     -3.40123498     11.85813032     -2.47541486
  H     -3.35632504     13.12953633      1.00464936
          69
 Energy    -250.33665786029263     
  O      0.95888562      0.27590584      4.64109540
  H      0.86466137      1.23422556      4.69445356
  H     -4.67159665     -2.54090037      5.02309503
  O      1.50405624     -0.07201000     -2.89277612
  H      0.09612457     -0.07862039      4.88991760
  H     -3.20362681      2.92266848      0.43265040
  O     -1.83893929     -0.35029926      4.91209651
  H      1.59323430     -1.01704106     -2.71298177
  H     -2.17163676      3.25744060      1.52371021
  O     -0.77365768      0.46006635     -1.21485181
  H      0.65423174      0.18573950     -2.51423453
  H     -0.18768322      2.89166081      2.89061423
  O      1.80754472     -2.73479032     -1.87809032
  H     -2.56534834     -0.97740732      4.99072381
  H      0.20137014      2.32105671      1.48863492
  O      3.34239837     -1.56077815      0.02924112
  H     -1.80917268     -0.12425679      3.96856715
  H     -3.42444696      2.07433086     -2.00931629
  O     -4.41468819      2.82254426      3.61972318
  H     -0.87314376     -0.49506423     -1.09162124
  H     -2.30564232      1.37288308     -1.20694611
  O     -2.94255040     -3.77460529      2.59847431
  H     -0.11106265      0.75404048     -0.57445494
  H     -1.36866730      1.03488008      2.11090217
  O      0.25437733      3.06852425      4.66577295
  H      2.37886754     -2.38760236     -1.16930394
  H     -2.51412065      0.07088903      1.64094903
  O      3.39374056      1.01571696     -1.25993008
  H      2.25233075     -3.49477411     -2.24325621
  H     -0.60903290     -2.35939218      0.16283592
  O     -5.24299273      0.18253585      2.95892249
  H      2.94958940     -1.39793986      0.89752467
  H      0.08355761     -2.55884506     -1.21237872
  O     -4.07637895     -2.03427538      4.47492105
  H      3.54320651     -0.69281881     -0.34157961
  H      1.09923873     -1.54581959      2.20286285
  O     -3.11110701      3.33222255      1.29971292
  H     -3.98139428      3.02804576      2.77189541
  H      1.66276599     -0.48078753      3.16397947
  O     -0.52498652      2.69380252      2.00755962
  H     -5.07214729      3.49955643      3.75999490
  H     -2.16315761      1.40774152      5.39209115
  O     -3.16628516      1.81910096     -1.12731312
  H     -3.15988990     -3.50058202      1.68791708
  H     -3.00476131      2.57686758      4.83984097
  O     -1.73130463      0.14566707      2.20112690
  H     -2.96105331     -4.72814130      2.60851523
  H      2.04568488      1.29707277     -0.00715774
  O     -0.74662537     -2.29954021     -0.79437261
  H      0.61224110      3.77347735      5.19783480
  H      1.45394080      0.49501280      1.18497113
  O      1.81166299     -0.89949028      2.30306416
  H     -0.64753029      2.89532846      4.99400131
  H     -0.92108131     -1.41467890      2.06019253
  O     -2.24440385      2.37174796      5.39746233
  H      4.03510942      1.55900116     -1.70888255
  H     -1.21927735     -2.90839697      2.31345418
  O      1.27661730      1.22140067      0.56966033
  H      2.77815162      0.68303847     -1.93767245
  H     -3.69656864     -1.99163676      0.20040714
  O     -0.54639438     -2.30784006      1.97778019
  H     -4.87306895     -0.48577969      3.54664508
  H     -2.54409910     -2.81369792     -0.40427225
  O     -3.37056251     -2.89747423      0.08741802
  H     -4.97435936      1.04581572      3.29904737
  H     -3.93132107      0.49339974     -0.00878012
  O     -3.99777888     -0.26043781      0.58721310
  H     -3.70667701     -2.65190787      3.82440977
  H     -4.57686990     -0.04089233      1.33384164
          69
 Ord_Energy   -250.336624    
 O    1.74355114      -2.54412627      -5.22779846    
 H    2.45038486      -2.38587713      -4.58795691    
 H    1.35929024      -3.39872074      -4.98859835    
 O   -4.28828049      -1.49631500      -3.18113613    
 H   -3.88783741      -2.37764239      -3.08007407    
 H   -5.22005510      -1.60313618      -3.00288486    
 O    2.94935703      -5.16801071      -2.88256192    
 H    2.19412565      -5.23901653      -3.48115540    
 H    3.34121776      -4.30103540      -3.05262613    
 O   0.472314090      -4.86220407      -4.23383141    
 H  -0.275869519      -4.67512274      -4.81661749    
 H   0.131745160      -4.71247101      -3.34029746    
 O   -1.41607463       1.11710227      -4.90259838    
 H  -0.677605033       1.41072130      -5.45177984    
 H   -1.44458616       1.66026056      -4.10524607    
 O    1.85303211      -5.05078030     -0.404656172    
 H    2.30559635      -5.18473577      -1.25747037    
 H    2.16230631      -5.73305321      0.184569746    
 O   -3.46074915     -0.542354643      -5.77241564    
 H   -2.84313798      0.161255956      -5.52759266    
 H   -3.79650903     -0.893575549      -4.93938351    
 O    3.27014112      0.376146376     -0.651269734    
 H    3.02205920     -0.540955544     -0.472084701    
 H    3.90192723      0.340816349      -1.37996805    
 O   -3.09820318      -3.94237399      -3.03373933    
 H   -2.74924302      -4.00507832      -3.93422341    
 H   -2.37989140      -4.22803593      -2.45819473    
 O   -1.43069506       2.37887478      -2.40090203    
 H   -1.51146924       3.25375295      -2.02983809    
 H  -0.572513402       2.02672744      -2.10671353    
 O    2.40514994       1.07058251      -4.14633083    
 H    1.91064239       1.25256813      -4.95229578    
 H    1.77689838       1.09131217      -3.41384506    
 O  -0.527919769      -1.43321538      -4.11303520    
 H  -0.831720650     -0.574714959      -4.43206358    
 H   0.320369512      -1.64145052      -4.52856779    
 O   0.843383074       1.51366246      -6.48373652    
 H   0.784790933      0.610172510      -6.84661770    
 H    1.08271921       2.08776712      -7.20584488    
 O   0.850628197       1.04096889      -1.74816358    
 H    1.69929636      0.974451482      -1.28513837    
 H   0.411219984      0.191624045      -1.62306690    
 O    4.72505379      0.140304133      -3.13612509    
 H    3.93812990      0.514463425      -3.57473612    
 H    5.48276615      0.604043484      -3.48071051    
 O    3.55238533      -2.39815855      -3.11105847    
 H    3.06075525      -2.32737207      -2.28075886    
 H    4.10466051      -1.60849369      -3.16267371    
 O    2.16013169      -2.24604893     -0.660256624    
 H    1.24805355      -1.97675562     -0.835467517    
 H    2.12498665      -3.17649031     -0.406851262    
 O  -0.597510219      -4.33424473      -1.64919710    
 H   0.122899719      -4.68915939      -1.11344063    
 H  -0.612885892      -3.38302803      -1.47909760    
 O   -2.70302749      -2.78467499E-02  -1.31917715    
 H   -2.46420765      0.835127532      -1.67462623    
 H   -3.28402066     -0.447190732      -1.96806097    
 O   0.599649072      -1.03172815      -7.31571960    
 H  -0.279225558      -1.40154660      -7.46201992    
 H    1.07641983      -1.63965631      -6.73460865    
 O   -2.10965943      -1.97793198      -7.63994360    
 H   -2.64751720      -1.45470512      -7.01765966    
 H   -2.59557009      -2.01564693      -8.45927620    
 O  -0.436920315      -1.51262665      -1.43464375    
 H  -0.441376597      -1.54916525      -2.40672827    
 H   -1.25691032      -1.06290913      -1.18190026    
 O   -1.69861853      -3.63444662      -5.42349529    
 H   -1.37937081      -2.87291741      -4.91347170    
 H   -1.89343882      -3.28380752      -6.29910374    
          69
 Energy    -250.33602567086461     
  O     10.98118630      9.59314868    -11.50600866
  H     11.54500798      9.18229387    -10.82588811
  H     11.63715707     12.39772117    -15.93268907
  O     16.63857405      7.65969759    -14.24216549
  H     10.08574031      9.56003085    -11.18055914
  H     14.82539329     10.17631050    -13.17726944
  O     17.56393896     11.74430655    -12.90398565
  H     15.95099463      8.33956109    -14.14309930
  H     13.88914294      9.07135936    -13.76367933
  O     14.73978266     11.43000243    -15.91392673
  H     16.71810815      7.50214609    -15.19033079
  H     13.54585401      8.74779786     -9.78348376
  O     17.59268704      9.83117203     -8.63327686
  H     17.50012282     12.13222633    -13.78439567
  H     12.87460349      7.47169055    -10.30583817
  O     16.12126493      7.04527101    -11.58081883
  H     16.66785300     11.72419505    -12.53493451
  H     19.90161612      8.97081865    -12.39853033
  O     15.03014283     11.42337727    -11.88919432
  H     14.76624092     10.72307297    -15.24842680
  H     21.31840523      8.67650877    -11.84954524
  O     14.44048230      9.05738091    -17.42367753
  H     15.58267830     11.89311049    -15.86133508
  H     13.48146874      5.21868179    -11.52260842
  O     18.38601808      7.48424642    -10.10596160
  H     17.79783666     10.16480198     -7.76441349
  H     14.47457560      6.40186864    -11.55346114
  O     16.76666899      7.75455607    -17.04777296
  H     18.09417702     10.37192410     -9.26998427
  H     17.74140705     11.61857072    -16.00347513
  O     18.38276263     10.04238412    -16.38064285
  H     16.94212786      7.06550868    -11.06631353
  H     17.79056574     13.16091435    -16.12866746
  O     12.06289676     11.73123260    -15.39845737
  H     16.35398917      7.15227339    -12.51286110
  H     18.32125219     10.15591853    -13.36881246
  O     14.72278954      9.54106861    -13.89800262
  H     15.05434179     10.77579734    -11.17065272
  H     18.05721884      8.68863863    -13.82323553
  O     12.68931466      8.30416869     -9.85402503
  H     14.10919501     11.68638553    -12.03993015
  H     18.57941229     11.48650375    -11.31212164
  O     20.42035653      8.85363280    -11.58305038
  H     13.57355943      8.84126777    -17.05206345
  H     19.62591570     10.44599504    -10.85079247
  O     13.53050779      6.16947029    -11.57997845
  H     14.60820962      9.96393572    -17.13858708
  H     12.04857786      8.45078856    -15.21184993
  O     17.35745123     12.44841366    -15.66593166
  H     19.14755331      7.83433148    -10.58464938
  H     11.86760417      9.82315331    -15.87268417
  O     18.75391716      9.34097470    -13.66420380
  H     18.15041716      8.16876182     -9.46779649
  H     16.00885260      9.52312779     -9.49972740
  O     19.02495709     11.13149069    -10.53235947
  H     16.92262434      7.14637546    -17.76489622
  H     15.56814460      8.58802402    -10.65766795
  O     12.00189746      8.88870810    -16.07119936
  H     15.90386382      8.17473045    -17.22009010
  H     12.22737849     11.82224457    -13.49445758
  O     15.28136712      9.32745922    -10.10438930
  H     17.86767432      9.29850175    -16.71501170
  H     11.85445143     11.12902749    -12.16542173
  O     12.41312174     11.81717037    -12.54756678
  H     18.70659011      9.76732529    -15.51249775
  H     11.83517177      8.57985464    -12.81979570
  O     12.41163625      8.05754524    -13.39339344
  H     13.00407416     11.73948075    -15.64321027
  H     12.75048199      7.33005399    -12.85750381
          69
 Energy    -250.33575528218236     
  O     12.74669890     11.04555013    -15.92056458
  H     12.59893152     10.13032156    -16.19703892
  H     17.01831815      5.69749698    -14.88827064
  O     14.28964033      6.50304000    -12.21409046
  H     13.66007702     11.24722412    -16.15204666
  H     16.19746837      9.79619528    -16.97969826
  O     18.08096840      9.13529315    -12.77014357
  H     13.89101152      5.73695453    -12.64051732
  H     17.28038491      8.75554194    -16.60618596
  O     11.33298779      6.70262792    -14.46106160
  H     14.31682223      7.18572665    -12.90549219
  H     11.12538472     12.02610062    -13.40231490
  O     15.96401094     11.12106179     -9.73809614
  H     17.69788539      8.29422284    -12.47815205
  H     12.13743083     11.29113688    -14.31083202
  O     13.34607583      8.49569922    -10.56735064
  H     18.35256911      9.60990779    -11.97426544
  H     17.94929566      8.60729347     -9.63309114
  O     15.95600050     10.57542144    -13.78945441
  H     11.58810943      7.21666036    -15.23685922
  H     17.37756095      7.29816858    -10.21496925
  O     15.33518742      5.76086051    -15.60065255
  H     11.22394702      7.34389498    -13.74313628
  H     11.80253804      8.60170197    -11.73102284
  O     15.10566610      8.74658182     -8.38087068
  H     15.31306176     11.22431150    -10.44429034
  H     11.35609771      9.58082929    -12.82838316
  O     14.59372290      8.17489807    -14.34307025
  H     15.61899839     10.42437320     -9.16523329
  H     18.57017132      8.76100659    -14.46533215
  O     13.14067962      4.74448801    -14.11444004
  H     13.65607591      7.71016878    -11.04167718
  H     19.63064156      8.63171441    -15.57877504
  O     17.85643723      5.86284042    -14.43236918
  H     13.84547949      8.53808224     -9.74297106
  H     17.41924059      6.26292089    -12.73481816
  O     16.51568997      8.90595457    -17.17451129
  H     16.73344794     10.15332151    -13.40234365
  H     16.10810874      6.56093273    -11.95870196
  O     11.83012701     11.38377323    -13.39191475
  H     15.31662968     10.73317786    -13.07938686
  H     19.12206181     10.93212844     -9.87469314
  O     17.44416213      7.81903208     -9.40259557
  H     15.06317603      6.03901238    -16.48413674
  H     17.60951613     10.71138690    -10.11941074
  O     11.23266295      8.68097568    -12.50519078
  H     14.58013949      5.33803855    -15.16980315
  H     14.79032516      6.90324312    -18.92628434
  O     18.70998221      8.47234022    -15.38202438
  H     15.92964070      8.33727741     -8.70109592
  H     15.36704942      7.74980165    -17.76447989
  O     17.06566053      6.68897346    -11.93966435
  H     15.02723104      8.52290434     -7.45748220
  H     13.29706200     11.17812624    -12.30323250
  O     18.49827685     10.36302518    -10.31669393
  H     15.08871403      7.48634906    -14.80840849
  H     13.82813820     10.03700425    -11.40034773
  O     14.68729314      7.09019353    -17.99742819
  H     15.13864359      8.96477186    -14.26138312
  H     15.74611852     11.22590738    -15.39044744
  O     14.07315298     10.87878953    -11.81244857
  H     12.70927562      3.89530191    -14.08841533
  H     15.95255101     12.31014974    -16.47619562
  O     15.56875022     11.45059797    -16.32141904
  H     12.44077586      5.41303603    -14.23950937
  H     13.20939882      7.88497404    -17.05871630
  O     12.68738100      8.29375358    -16.35911066
  H     18.24014598      6.63211401    -14.86689752
  H     13.26393244      8.29892723    -15.57733873
          69
 Energy    -250.33434592760284     
  O     11.33100642      9.95470951    -14.41640500
  H     11.19244046      9.04182655    -14.69834886
  H     14.69010321      5.78006776     -6.82340696
  O     16.11621266      9.97136323    -10.81322687
  H     12.16684438     10.24380687    -14.80365180
  H     14.86165144      7.15291565     -8.99547413
  O     14.96443225      4.85279429    -13.46260929
  H     16.73716559     10.36974785    -10.20807793
  H     14.01273488      7.84402743    -10.10566150
  O     14.02251219      2.27558640    -10.11898760
  H     15.71915785      9.21524060    -10.34913242
  H     12.39472149      4.17756138    -11.77973829
  O     16.98565793      8.32035564    -13.01799017
  H     14.31960963      4.26932790    -13.04247171
  H     12.35721948      3.35189438    -13.08843109
  O     15.29563578      8.42111695    -15.17726923
  H     15.55334583      5.18823044    -12.77152858
  H     13.94450703      6.35571016    -13.38541845
  O     14.15919556     11.21582221    -12.44387813
  H     13.98590968      1.32305236    -10.15101708
  H     14.10894401      7.76743282    -13.97174781
  O     11.28756796      3.58779067    -14.50569372
  H     13.63285475      2.59805380    -10.94960190
  H     11.34383836     10.29568786    -12.70811590
  O     12.60577575      4.31462059     -8.69778316
  H     16.78638110      8.96821314    -12.33237833
  H     10.78276717     11.06691628    -11.48830210
  O     13.95560070     10.89639396    -15.11833501
  H     16.97928086      7.46462886    -12.57052481
  H     14.95925348      5.33584199    -15.27385461
  O     16.22162143      4.03732546     -9.50902344
  H     15.98887986      8.44400100    -14.49778583
  H     15.00908579      6.71425176    -15.95700207
  O     14.67987345      5.78955741     -7.77672945
  H     14.93228703      9.30946835    -15.27126067
  H     16.52824379      5.26214742    -10.81679211
  O     14.90659240      7.76399263     -9.74147700
  H     13.29625556     11.01550954    -12.06251926
  H     15.88213686      6.65028200    -10.92107549
  O     12.85695733      3.48277378    -12.26936058
  H     14.82353615     10.82724986    -11.86193098
  H     13.12212730      5.43738620    -16.52179789
  O     13.54247451      7.23412368    -13.39862883
  H     11.61204832      4.06039371    -15.28220564
  H     12.09281599      5.03380207    -17.60247736
  O     11.47060190     10.46388351    -11.75632075
  H     10.60675808      4.15215141    -14.11983581
  H     12.89566736      7.74670348    -11.88030436
  O     14.75911926      5.79226323    -16.10301912
  H     13.01536568      3.52798267     -9.08004790
  H     12.05814176      8.82749969    -11.14501751
  O     16.41737838      6.01563084    -11.41485197
  H     12.03645331      4.68455124     -9.38470671
  H     12.02393603      7.19163615    -14.32025065
  O     12.17687386      5.25939568    -16.68024781
  H     14.09000523     11.06356699    -14.16718353
  H     11.43863414      6.59437819    -15.61529968
  O     12.48685431      7.97178524    -11.02723702
  H     14.14146903     11.71496557    -15.57085562
  H     10.12000890      6.23549559    -13.80316553
  O     11.22120916      7.16209811    -14.86471540
  H     15.81633367      4.58658930     -8.82701527
  H      8.70970325      5.78796337    -13.35388411
  O      9.63950416      5.61330141    -13.23115406
  H     15.56344449      3.36503265     -9.72408155
  H     11.69228330      6.34741559    -10.90442982
  O     11.33812607      5.44857508    -10.96390393
  H     13.88847110      5.29333614     -8.05385321
  H     10.64905722      5.47079771    -11.63925872
          69
 Energy    -250.33403320096676     
  O     -2.55031319      0.86701452      2.96606708
  H     -2.74332635      0.96398541      3.90920112
  H     -0.40296121     -3.42042087      3.27759739
  O     -2.25090533      3.36649466      6.37062636
  H     -2.73032006     -0.05736924      2.74937072
  H     -5.57616847     -1.27498541      5.32290289
  O      1.45567382     -0.99075472      1.44807205
  H     -2.54154723      4.13531200      6.85346925
  H     -4.21144197     -0.55024170      5.32586128
  O      3.67313103      0.27698399      2.63836608
  H     -1.88923752      3.68600244      5.52404714
  H     -0.36503234     -0.90328634      6.46499973
  O     -0.11052606     -0.23656847     -0.77585318
  H      1.02592811     -0.42873110      2.11235725
  H     -1.66740834     -1.55988314      6.97206710
  O     -3.02744685     -1.84938117      2.79994237
  H      1.08685135     -0.72309793      0.59753815
  H     -2.04884187     -3.23086859      5.57357868
  O     -1.66364820     -2.16690989      0.35327554
  H      3.05887568     -0.28971880      2.15401684
  H     -3.40779124     -2.60692056      5.94051828
  O     -2.06170205      3.09550612      1.45761142
  H      3.52167020      1.16250525      2.28635344
  H     -0.72164026      2.40704967      7.14700860
  O     -1.20983576      4.12681666      4.00492065
  H     -0.75219420     -0.87015295     -0.40910241
  H     -0.40710165      0.94388036      7.49729006
  O      1.32875446      3.09784819      3.84137844
  H     -0.06862896     -0.40661763     -1.71362441
  H     -0.74253190      0.71930142      3.18710997
  O      2.84862301      2.77735710      1.50191260
  H     -2.27359097     -2.26289827      3.24759050
  H      0.58489098      1.47080730      3.51280222
  O     -0.85083652     -3.06859693      4.05614526
  H     -3.73138813     -1.78958038      3.45731640
  H      1.15751253     -4.20266543      1.36367571
  O     -4.66535210     -1.36557242      5.05432437
  H     -1.00235778     -2.78925064      0.68105446
  H      0.93898639     -2.69080745      1.61328555
  O     -1.15992413     -0.73673216      6.99185819
  H     -2.29454649     -2.06193284      1.07673904
  H      2.81069508      1.27649251      5.97848315
  O     -2.61572356     -3.00254047      6.32228529
  H     -2.31259796      2.29063410      1.94257738
  H      1.61665922      2.00328826      6.66541764
  O     -0.01720595      1.82569412      7.45416998
  H     -2.82817470      3.36366064      0.95644964
  H      3.65879878     -0.13506866      4.35278065
  O      0.20291405      0.60160542      3.33201368
  H     -1.54785580      3.93905871      3.12356632
  H      4.42473679     -0.66486961      5.58684884
  O      0.50531560     -3.56157523      1.63405158
  H     -0.27496153      3.87112179      3.98436017
  H      0.21975438      1.51111973     -0.12026047
  O      2.40464293      2.13837256      6.11683215
  H      1.96148333      3.11862201      3.11536318
  H     -0.37145314      2.68897893      0.67597203
  O      3.56242824     -0.38913643      5.28772224
  H      1.79120142      2.84286848      4.65631045
  H     -2.92428394      1.71837968      5.97776010
  O      0.44552657      2.35729580      0.28413959
  H      2.00986198      2.62808487      1.02931796
  H     -2.38302045      0.27415868      6.13803550
  O     -3.06406069      0.80472332      5.69700926
  H      3.33849400      3.41892576      0.99423549
  H      1.84302977     -1.10695345      5.35553014
  O      0.89983771     -1.24323631      5.21106255
  H     -0.20358729     -2.50346894      4.50293899
  H      0.62666620     -0.54838627      4.59108857
          69
 Ord_Energy   -250.333939    
 O   -4.70610380      -2.55868912       6.19749546    
 H   -4.11554909      -3.05684781       6.77540255    
 H   -4.31646347      -1.67502296       6.13623333    
 O   -3.62765670      -4.91786623       1.41520894    
 H   -3.85345960      -4.48590660       2.25703454    
 H   -4.41495228      -5.36659241       1.11792481    
 O    1.92274845      -1.79241753      0.735243261    
 H    2.54697204      -2.17420268      0.122733407    
 H    1.44220769      -2.53404975       1.14131546    
 O   0.280924320       1.48048735       3.09144473    
 H  -0.228433385       1.79652011       2.33645868    
 H    2.52445806E-02   1.98315227       3.88016081    
 O   -1.48359108      -1.35206294       7.85146523    
 H   -2.16331792     -0.887544751       7.34156942    
 H  -0.673709095     -0.859511375       7.68256807    
 O    2.51626492      -1.12001920       5.56412315    
 H    3.40123940      -1.39557624       5.78679991    
 H    2.55027986     -0.770092189       4.65370989    
 O   -1.14882600      -5.86236525       2.58541226    
 H   -1.30727088      -5.62774944       3.51052308    
 H   -1.99042892      -5.73173046       2.13312554    
 O   -1.25379610     -0.687063038       4.01721430    
 H   -1.94833565     -0.870226085       3.37031054    
 H  -0.740006685       6.25768527E-02   3.69149661    
 O   0.389272511      -2.74321318       4.62809896    
 H    1.17259192      -2.35376859       5.02800417    
 H  -0.220710754      -2.00757074       4.45186281    
 O   -3.89811206      -3.60972285       3.81640029    
 H   -4.38607836      -3.27124310       4.58058977    
 H   -3.06791925      -3.94993091       4.17949677    
 O   -3.36415744      -1.29784334       2.33634686    
 H   -2.88756967      -1.71850204       1.60842228    
 H   -3.67633295      -2.02211165       2.89561486    
 O   -1.28654659       1.95962155      0.806027889    
 H   -1.21175218       2.58899570       9.37372074E-02
 H   -1.02391791       1.09409142      0.443655849    
 O    2.45849109     -0.198465213       3.05093384    
 H    1.75694108      0.469654828       3.02315283    
 H    2.36401868     -0.721339524       2.24738908    
 O   -2.52976322      -3.84864187       7.64308214    
 H   -2.08744764      -2.98972583       7.76882505    
 H   -2.58675575      -4.25506020       8.50369930    
 O   -3.17635036     -0.197286487       5.98852205    
 H   -3.41276264      0.722212613       5.82217598    
 H   -2.47557783     -0.402996302       5.35219383    
 O   -1.61031175      -4.59570074       5.09119797    
 H  -0.853256643      -3.99940610       4.99663115    
 H   -1.92892945      -4.48103571       5.99550676    
 O   -3.41292119       2.43214989       5.08913517    
 H   -3.46915722       2.14001846       4.16094398    
 H   -4.02996016       3.15177083       5.18841267    
 O   0.699216187      0.359039903       7.10923433    
 H    1.33742893     -0.131749943       6.56946135    
 H    1.20924997      0.817815542       7.77475071    
 O  -0.491605550     -0.474013746      -8.14120173E-02
 H   -1.06200743      -1.25242412      -5.66037707E-02
 H   0.390410721     -0.796773672      0.138906822    
 O   -3.50153542       1.51164699       2.53823566    
 H   -3.63082910      0.558931410       2.44115591    
 H   -2.80901980       1.74510837       1.90818000    
 O   -1.88356757      -2.84662676      0.553211153    
 H   -1.09722531      -3.09973907       1.05804741    
 H   -2.50350404      -3.58083892      0.644175768    
 O  -0.567432582       2.45367265       5.48439264    
 H   -1.53279054       2.46323633       5.46631861    
 H  -0.295641154       1.74478388       6.07886171    
 O   0.398972124      -3.67097878       2.01200700    
 H   -1.18137999E-02  -4.54283333       2.10519838    
 H   0.476150453      -3.31664157       2.90913630    
          69
 Energy    -250.33249353996678     
  O      2.07697126     -0.53189554      6.57640305
  H      1.60702148      0.28684455      6.36917066
  H      1.93178923     -1.35259160      2.25892959
  O     -1.74746288      1.37624996      7.00094870
  H      2.80585889     -0.59600390      5.94449585
  H      2.69740004      0.55138572      1.76128992
  O      0.92861861     -4.95818990      3.24426731
  H     -1.79946902      0.52457840      7.47055498
  H      2.79849411      1.84887687      0.93307308
  O     -3.46245975     -3.15175901      7.06757191
  H     -2.20418159      2.01371451      7.54382664
  H     -0.06928783      0.15412488      2.89698556
  O      3.37330298     -4.52867167      7.20449749
  H      0.88567080     -5.07628646      4.20440048
  H      0.65025590      1.44752126      2.49792195
  O      4.02864081     -0.53302321      4.58380873
  H      0.06240336     -4.63597627      2.97510023
  H     -1.85459250      0.86733010      3.81862611
  O      4.37159554     -3.28830947      5.02931455
  H     -4.39807712     -3.32735600      7.01268326
  H     -2.36319729      0.86736755      5.27133772
  O      2.24283991     -2.35686063      8.66263794
  H     -3.17975882     -2.84874348      6.18793560
  H      3.03681926      2.08257407      3.51939283
  O     -1.97144881     -1.00462717      8.26162023
  H      4.02539525     -5.13421923      7.54663855
  H      2.47377376      2.17327609      4.95070130
  O     -0.20009264     -2.64696630      9.73315413
  H      3.77733997     -4.08510348      6.43655816
  H      0.86964668     -1.67486904      5.88948685
  O     -1.13284679     -4.61982365      7.90067207
  H      3.96503776      0.43281956      4.61636557
  H      0.52456694     -3.17594742      5.63056160
  O      2.88189611     -1.25456424      2.08696834
  H      3.66016727     -0.79043563      3.72838758
  H      3.76658059     -4.69797549      1.92957713
  O      2.45337880      1.49093480      1.74769616
  H      4.42009072     -2.32530066      4.97480736
  H      2.47739936     -4.34794911      2.70526201
  O     -0.09671675      1.11671143      3.00920978
  H      4.07648113     -3.59032213      4.16194852
  H     -2.56191987     -1.26150400      4.56408634
  O     -2.54896416      0.51783575      4.38988823
  H      2.67550517     -3.10580612      8.23631583
  H     -1.46773891     -2.21843343      5.10156408
  O      3.29678811      2.12948657      4.44771336
  H      2.24966705     -1.63594498      8.01746410
  H     -2.00017883     -3.22220137      3.30751272
  O      0.29009758     -2.26857825      5.39718227
  H     -1.32677747     -1.47815886      8.80197537
  H     -2.34826719     -3.99152772      2.01346330
  O      3.35628743     -4.01320312      2.45155630
  H     -2.56467912     -1.68179474      7.91705271
  H      0.14365682     -4.93199738      6.70123819
  O     -2.37518240     -2.19216367      4.75765823
  H      0.70181382     -2.53330417      9.38258742
  H      1.69512264     -4.88883246      6.48785610
  O     -1.61703110     -3.68017542      2.54060953
  H     -0.12031504     -2.70237063     10.68140740
  H      0.41397018      1.50225072      4.74471715
  O      0.84480410     -4.91468821      6.03152130
  H     -1.98093337     -4.25221960      7.62649154
  H     -0.09854785      1.68727613      6.18939648
  O      0.70171962      1.69162218      5.64908380
  H     -0.80503716     -4.02252047      8.58561954
  H      0.37758547     -1.83275119      3.68455174
  O      0.26173750     -1.60220289      2.74846296
  H      3.21374569     -2.16004105      2.05688077
  H     -0.36532276     -2.24493500      2.40159167
          69
 Energy    -250.33227152561875     
  O     11.47921270      9.33020252    -14.35336156
  H     11.36039012      9.15932909    -13.41114918
  H     15.06802983      7.63401929    -16.59020519
  O     13.59864760      6.76381660    -17.12012860
  H     12.41913294      9.53538226    -14.46012072
  H     15.73956440      7.53154391    -10.10697190
  O     15.42046188      5.33168204    -12.34034484
  H     12.70007421      6.88912820    -16.79424053
  H     16.15259908      6.61117910    -11.28368625
  O     18.91600361      7.92132317    -11.92629658
  H     13.85115736      5.85475783    -16.91969387
  H     13.81029366      7.81579360    -13.63722557
  O     14.94625101      4.27674720    -16.45188259
  H     15.01290488      4.48595660    -12.12101790
  H     12.90123395      7.57526386    -12.42631668
  O     10.95396822      7.27843491    -16.06671993
  H     14.70090214      5.95014638    -12.54985363
  H     13.70159344      2.93954632    -12.90833227
  O     14.25553402      7.92614491     -9.15306272
  H     18.13078062      7.70809748    -11.40315610
  H     14.12756823      2.06662729    -11.70055734
  O     18.31245923     10.49736855    -13.08755791
  H     18.82293882      8.84584698    -12.18472059
  H     11.44694953      4.83944933    -12.26379221
  O     11.58797245      5.40685847    -14.07683613
  H     15.40506283      3.88170633    -17.18985915
  H     12.44172401      4.00812467    -11.43476637
  O     19.27207440      6.54703172    -14.23206881
  H     15.62483157      4.69041067    -15.89317494
  H     16.29530844      5.45590594    -13.89695253
  O     18.31680517      9.02174461    -15.35827132
  H     10.23144093      7.51053422    -16.64387088
  H     17.62763996      5.81270267    -14.61870276
  O     15.84270413      7.92963361    -16.08823543
  H     11.09526426      8.04089103    -15.47735103
  H     13.79106305      3.44453833    -15.23619403
  O     16.40613292      7.40807721    -10.79829406
  H     14.03023043      8.82550331     -9.41953686
  H     12.52790319      3.87382083    -14.46584020
  O     13.50368289      7.12719586    -13.03444887
  H     13.43948651      7.41855597     -9.23888522
  H     11.09359128      6.45918304     -8.88685683
  O     13.95807374      2.96561017    -11.96739670
  H     18.30966605     10.03862934    -13.94744989
  H     11.69879179      5.90648076    -10.19616709
  O     11.70254709      4.62306102    -11.35773911
  H     18.85392112     11.27475484    -13.19167830
  H     14.86943216      9.03226852    -15.04342247
  O     16.70157334      5.58412197    -14.76667233
  H     12.30400189      5.97160911    -13.74786128
  H     14.83027527      9.66244443    -13.61932755
  O     13.18501820      3.16686384    -14.53898157
  H     11.18075038      5.91421264    -14.78796500
  H     11.55325420      8.05873769    -10.83724652
  O     11.69445322      6.67315702     -9.59580498
  H     20.14783966      6.17146166    -14.25972122
  H     12.30940176      9.36886189    -11.17829142
  O     14.28827010      9.44359658    -14.38853078
  H     19.17924083      6.97980030    -13.36378052
  H     14.44271088     10.32530579    -11.04143408
  O     11.72534129      8.69194752    -11.54654302
  H     17.47354890      8.77615506    -15.76221253
  H     13.66008208     11.34317846    -10.18030421
  O     13.66637729     10.43342778    -10.46652784
  H     18.74275909      8.19090815    -15.11426827
  H     16.65394766     10.18263129    -12.38155043
  O     15.81419773      9.82681902    -12.06467598
  H     16.14593031      7.15526435    -15.59493959
  H     16.00413285      8.95950773    -11.67705173
          69
 Energy    -250.33205130445688     
  O     15.76065295     12.02928442    -11.80137421
  H     16.46575906     11.46343092    -11.46115579
  H     13.62579592      6.68557920    -16.21999631
  O     17.38622446      8.73431346     -6.94897287
  H     15.24120506     12.28729420    -11.03099959
  H     11.47274896     10.69467780     -9.91685784
  O     16.32859979      5.90619875    -11.35513950
  H     16.72612982      9.30351036     -7.37728356
  H     11.94287118     11.37053849    -11.22972657
  O     12.61631235      4.97268602    -10.88111409
  H     17.54349007      9.10313181     -6.08309221
  H     15.89697829      8.77995750    -14.16375688
  O     18.66594950      5.80729529     -9.91873151
  H     15.74441741      5.96828053    -10.58702691
  H     15.12071287      9.93879726    -14.81486906
  O     16.85215792      6.01815519     -7.69787313
  H     15.77727950      5.57798718    -12.08157272
  H     18.71314816      8.58687731     -8.35311683
  O     17.39030343     10.13785570    -10.50642282
  H     12.37236672      4.07646494    -10.65954041
  H     19.11144135      7.61299645     -9.47713202
  O     14.26596866     12.49348244     -9.39520341
  H     13.29146830      5.24006143    -10.23532686
  H     15.29222455      5.85875787     -8.55525507
  O     10.75352711      7.12380553    -11.12533514
  H     19.25583606      5.11740224    -10.21204309
  H     14.15225530      6.80862022     -9.02187465
  O     15.51727484     10.19761230     -8.36522864
  H     17.90022909      5.79140714    -10.51718580
  H     12.05585111     10.06835446    -13.30762846
  O     13.94628914      8.93483325    -11.61651827
  H     17.01236752      6.90491186     -7.35179291
  H     13.05681191     11.24588624    -13.52763744
  O     13.62605065      6.95475889    -15.30568312
  H     17.55822677      5.85429695     -8.33527146
  H     12.36379240      7.71812414    -14.17189578
  O     11.93061029     11.46727898    -10.26680746
  H     18.15302874      9.66511985    -10.14285293
  H     12.66351674      8.24912573    -12.75884736
  O     15.34097335      9.00693672    -14.92338752
  H     16.72443905     10.14075785     -9.80626088
  H     10.69412020      8.36348659     -9.91145407
  O     19.18335878      8.53334026     -9.19475541
  H     13.40040500     12.13911467     -9.66958496
  H      9.95099581      9.00795210     -8.71814958
  O     14.55061471      5.93939288     -9.17269513
  H     14.10580301     13.36401864     -9.04058781
  H     13.67323877      5.14998977    -12.53346303
  O     12.35479655     10.91600965    -12.95207099
  H     10.96331236      7.46200756    -12.00624784
  H     14.11077664      5.75655875    -13.89438856
  O     11.95603873      8.15882890    -13.41684485
  H     11.32478206      6.35568495    -11.00227404
  H     15.12934677     11.86610950    -13.40658076
  O     10.75562116      9.05457855     -9.22705610
  H     14.80246436      9.55701006     -8.49622639
  H     14.91409746     12.47729415    -14.81116230
  O     14.40952673      5.21694788    -13.15332804
  H     15.14801543     11.05892836     -8.59725006
  H     13.64841244      8.61582560     -9.94189017
  O     14.69712275     11.72367511    -14.26869527
  H     14.83142881      8.79740133    -11.97703693
  H     12.54290840      8.64314089     -8.86295781
  O     13.48012886      8.46243932     -8.99616202
  H     13.62372581      9.78912439    -11.92713589
  H     16.93675105      9.02587211    -11.84719134
  O     16.53874013      8.43100126    -12.49748984
  H     14.25914619      7.69228246    -15.22945330
  H     16.55889751      7.53886655    -12.12642126
          69
 Energy    -250.33192457385334     
  O     10.78107944      9.25296304    -13.06856817
  H     10.88243545      9.50252618    -13.99498612
  H     18.07721608     12.52114175    -14.08825114
  O     16.87509007      8.31948983    -14.41718250
  H     11.02350128     10.03302925    -12.55608579
  H     13.15773672     12.61118660    -14.57277509
  O     16.78870275     11.15510604    -11.08663779
  H     16.81308953      8.29710187    -15.38101276
  H     11.94159510     11.70569069    -14.89794442
  O     15.00557702     12.65821001    -14.84084969
  H     16.19421187      8.95514899    -14.14413477
  H     14.52880844     10.11475346    -12.95406245
  O     13.41007373      6.19285625    -14.28574949
  H     15.85194786     10.90786272    -11.09979075
  H     14.88370302     10.95025380    -14.21383318
  O     16.06416046      7.50776633     -9.11481978
  H     17.15784876     10.76570633    -10.28375142
  H     10.78608994      6.32267293    -11.91608887
  O     15.79279006      6.43283204    -12.71773517
  H     15.54469447     12.40262664    -15.60206112
  H     11.23418174      7.68413988    -12.50051636
  O     14.15488346     10.35421019    -11.20256743
  H     15.60487129     12.99519610    -14.16166769
  H     19.21714938      8.64241795    -11.50334842
  O     16.12356891      8.79907169    -17.02425367
  H     14.24282235      6.09679279    -13.80619682
  H     18.90127408      8.66187998    -10.00025722
  O     17.74462900      5.86922289    -10.75713335
  H     12.73166980      6.30738054    -13.60937846
  H     17.03890026     14.12077797    -12.31825011
  O     16.77098904     11.63394689    -16.76930297
  H     16.60005683      6.84001410     -9.56153918
  H     16.85456635     12.59704731    -12.14419822
  O     18.50444790     11.90165828    -14.69144153
  H     15.23361167      7.54455461     -9.60599407
  H     18.08448883      9.17904679    -13.42811447
  O     12.24744127     12.41386669    -14.31684762
  H     16.23576141      7.01735762    -13.34989178
  H     17.94421275     10.21785691    -12.27956539
  O     14.82735183     10.05088843    -13.86866647
  H     16.46911051      6.12316713    -12.10325596
  H     17.05213939      8.93016180     -8.90831555
  O     11.55486322      6.82560278    -12.17045371
  H     13.29790031     10.79125664    -11.28307348
  H     17.84598253      9.85756326     -7.95804695
  O     19.27688823      8.11122553    -10.69750118
  H     14.01215833      9.40905228    -11.04386072
  H     13.96518017      9.05781524    -15.08969081
  O     16.86248317     13.31559844    -12.79865375
  H     15.19230571      8.66916488    -16.80185802
  H     13.45670145      7.62749970    -15.37670295
  O     18.58688519      9.77077589    -12.84697359
  H     16.27832654      9.75140168    -17.00452803
  H     13.09378391      7.31081936    -11.26923339
  O     17.67803715      9.67685157     -8.87894644
  H     18.35910274      6.62473239    -10.77773284
  H     14.60211035      7.24101909    -11.61172311
  O     13.53860725      8.51056365    -15.76646937
  H     18.26856110      5.09322925    -10.57759927
  H     11.92017865     11.98375263    -12.67578622
  O     13.96290134      7.62598048    -10.99301492
  H     17.14716871     12.01462263    -17.55937889
  H     11.18594922     12.26229451    -11.34057089
  O     11.73672099     11.62542218    -11.78759913
  H     17.46327817     11.67442918    -16.08492573
  H     12.10134734      9.50648002    -15.85409907
  O     11.34310321     10.10618894    -15.74327934
  H     18.72469344     11.13581633    -14.14502288
  H     10.81180829     10.02650371    -16.53112192
          69
 Energy    -250.33162558108165     
  O      3.40995616     -1.80069204     -2.41064249
  H      3.99711934     -1.99467603     -1.65706425
  H      2.65091792     -2.44964974      3.81784332
  O     -1.52761029     -0.70696585      2.31993339
  H      3.96738470     -1.47785747     -3.11372777
  H      1.05954894     -5.77346530     -2.90578810
  O     -0.90073530     -3.83616838     -1.34492438
  H     -1.48532649     -0.87356328      1.36047173
  H     -0.33936092     -6.39997560     -3.05786598
  O      2.95710039     -6.15300799      3.37734519
  H     -2.34642256     -0.24724022      2.48392395
  H      3.49186683     -4.70148215      0.59894079
  O      4.55046489     -0.13064200      1.49969740
  H     -1.42923689     -4.42641729     -1.89668534
  H      2.28721243     -5.66426539      0.39610270
  O     -1.99904230     -7.40022593     -0.47370241
  H     -0.00571055     -3.84073880     -1.71145075
  H     -0.93743255     -4.74349093      0.25041756
  O      1.25229657     -6.85197774      1.30874687
  H      3.21384633     -6.90718562      3.90331564
  H     -0.96612988     -4.63320628      1.79532487
  O     -1.26482204     -1.21341473     -0.33411612
  H      2.34226030     -6.48246952      2.70198410
  H      4.12854340     -4.86191327      2.55517983
  O      2.31605564      1.51297833      0.75764682
  H      4.13682303     -0.61242091      2.22808398
  H      4.16737647     -3.33107640      2.45895239
  O      1.39414796     -0.54423144     -0.90101058
  H      3.90129193      0.52508443      1.21937168
  H     -0.95880807     -2.42721225      2.85014128
  O      1.52370091     -2.63270416      0.97259261
  H     -1.80942409     -6.72698872      0.19463698
  H      0.25497932     -3.05915434      2.15902853
  O      3.00775016     -1.85219515      3.14380526
  H     -1.18368173     -7.90725747     -0.56887117
  H      2.08804861     -4.64676757      4.26544463
  O      0.59479451     -6.61876860     -2.95002632
  H      1.13443107     -7.51521775      0.61632075
  H      0.88799039     -3.68395217      4.12587369
  O      2.78797310     -4.94811364     -0.01539033
  H      0.45086983     -6.30659013      1.30596560
  H      0.71531391     -7.80281556     -1.66644679
  O     -0.99002675     -5.26458910      1.06491674
  H     -1.27962194     -2.11392253     -0.68296093
  H      0.93436246     -9.27825241     -1.25816785
  O      4.48449754     -4.13401501      2.02788160
  H     -0.42949570     -0.83803730     -0.64399603
  H     -2.97849399     -6.05894968     -3.25012058
  O     -0.42318188     -3.22893988      2.83378622
  H      1.83768298      1.17922759      1.53883196
  H     -2.23016757     -6.49190011     -1.96482242
  O      1.73393903     -3.80664769      4.57885901
  H      2.26557983      2.46439869      0.78752186
  H      1.63927277     -0.36099713      3.18817170
  O      0.67243771     -8.42647760     -0.91916262
  H      2.07822188     -0.86602534     -1.50116453
  H      0.19082149     -0.01651823      2.74635299
  O     -2.17769240     -5.92084412     -2.75224350
  H      1.74862271      0.22029122     -0.42741543
  H      2.23868175     -3.30321676     -2.57183960
  O      1.07755433      0.34862333      2.85863089
  H      1.42959022     -1.93313926      0.31440045
  H      2.16527094     -4.47589399     -1.58388296
  O      1.72246993     -4.08712980     -2.35542300
  H      1.93359878     -3.39559924      0.54922502
  H      4.91317710     -1.42760272      0.31852699
  O      4.97526745     -2.22072652     -0.23752060
  H      2.52846273     -2.06058713      2.32460799
  H      5.10075842     -2.95063887      0.37277286
          69
 Energy    -250.33118822501393     
  O     16.30591777     10.01075055    -15.35524041
  H     17.23430664      9.74247902    -15.41769360
  H     12.99869511     11.85488538     -9.72553970
  O     15.40963653      7.31801113     -9.31157597
  H     16.24810985     10.96290637    -15.21686352
  H     18.76574486      3.90041501    -14.99375179
  O     15.72193790     12.61969076    -14.38185875
  H     15.69151166      7.09568548    -10.21514951
  H     17.41367829      4.65120825    -15.05796747
  O     12.89078086      8.32326389    -10.17750281
  H     15.71643061      6.61431680     -8.74570833
  H     16.02327942      7.91196770    -12.12848635
  O     14.33432900      8.13833246    -15.77946350
  H     15.33813316     13.38614338    -14.80122911
  H     15.37079610      6.56948674    -12.52709241
  O     18.80618534      8.90201591    -15.22391453
  H     15.02962663     12.23587483    -13.81942519
  H     18.46358444      7.59564870    -16.53696489
  O     20.40384647     10.81954331    -13.99843248
  H     13.00571079      9.27700547    -10.09038569
  H     18.37527446      6.06710906    -16.39019110
  O     18.54064257      6.96235660    -13.21703578
  H     13.68480525      7.92429906     -9.80131097
  H     16.50061941      6.59499133    -17.46847255
  O     11.81721036      7.27425204    -12.42695293
  H     14.63806604      7.57312801    -16.50030655
  H     15.46432980      6.23119510    -18.55848608
  O     12.35677355      9.45973817    -14.21715933
  H     15.01309714      8.81981725    -15.66559618
  H     16.27962765      9.67635915    -13.54520596
  O     13.91571825     11.19614617    -12.79377988
  H     19.44804557      9.55365421    -14.91501434
  H     16.77002829     10.03124973    -12.09004032
  O     13.48896981     11.11337839    -10.07201533
  H     18.69839879      8.25407124    -14.51155076
  H     17.48888331     12.58427727    -13.57859565
  O     18.37655448      4.77023682    -14.96733915
  H     21.19253809     11.33314413    -14.14873437
  H     18.19491975     12.00158224    -12.33116952
  O     16.03952979      6.95715184    -11.94735768
  H     19.70053906     11.44800883    -13.75347749
  H     18.62914023     10.17429983    -11.05902791
  O     18.17084556      6.79500473    -16.99073150
  H     17.70649858      6.90292966    -12.73191992
  H     17.37196495     10.62031801    -10.20821826
  O     15.55880383      6.40068845    -17.62515664
  H     18.59766494      6.16184707    -13.75395579
  H     14.18090017      6.91511830    -14.43734070
  O     16.09273045      9.56955214    -12.60400593
  H     12.18195148      7.64255613    -11.60237728
  H     13.25001684      6.45668674    -13.29072790
  O     18.35465984     12.40231289    -13.19978466
  H     10.96059206      6.91524783    -12.21161194
  H     19.51586837      8.24076146    -12.17631547
  O     17.92207446     10.83212348    -10.97567852
  H     12.92172666      9.04073741    -14.87973940
  H     20.19828093      9.58884960    -12.47972402
  O     14.06908262      6.23874575    -13.75200360
  H     12.06741719      8.74740539    -13.63376073
  H     15.87611462      9.16785904     -9.08357142
  O     19.85879038      9.04195086    -11.76056510
  H     13.26741166     10.69470199    -13.31143834
  H     15.19432273     10.51941161     -9.35959710
  O     16.03631526     10.11889953     -9.11214945
  H     14.65318674     10.58571243    -12.63144319
  H     15.08054795      5.01588948    -14.74313317
  O     15.69790531      4.62396392    -15.37464900
  H     13.57745629     11.25819835    -11.02819162
  H     15.55999998      5.10132621    -16.20248964
          69
 Energy    -250.33116801608526     
  O     -2.23783646      4.05154422      3.00332742
  H     -2.23242460      3.62701302      2.12811708
  H      0.80880140      7.19890803     -3.03333141
  O      1.12876464     10.72181510      1.37639499
  H     -2.72213532      3.47392150      3.58756165
  H      2.97048876      2.60740086      2.03807159
  O     -1.06065420      9.03808251     -1.29637064
  H      0.27424370     11.00861891      1.03011073
  H      1.70563757      3.49943568      2.05592324
  O      0.55714516      9.63449391      3.79733614
  H      1.38102703      9.95332570      0.84635629
  H     -1.49168549      4.24113408     -3.76368234
  O     -2.12313762      9.61715903      2.75909837
  H     -1.30352181      9.81802603     -0.78362152
  H     -2.08477661      3.14628684     -2.83295530
  O      1.31064909      8.28515131     -0.04761675
  H     -1.62079201      8.30796137     -0.98909672
  H      0.89480537      1.82459538     -1.62644718
  O     -2.35895040      6.81299010     -0.37585061
  H      0.83677999     10.10169021      2.98900030
  H      0.39129160      2.58949009     -2.86740498
  O     -2.19280305      6.81530355      2.39033027
  H      1.01277059     10.04417149      4.52720424
  H      0.68736185      5.41913641      2.80946186
  O     -0.48401536      4.87129220     -0.89232036
  H     -2.34439599      8.67961944      2.68957257
  H     -0.32246805      4.28136184      3.08124498
  O     -2.01823336      3.02528024      0.48290381
  H     -1.30159039      9.65558484      3.26495883
  H     -4.46990419      2.46330149     -2.06356115
  O      0.33473584      1.37048460      0.08255982
  H      0.48487831      8.54207241     -0.48363700
  H     -3.86148045      3.88491437     -1.96886162
  O     -0.04204874      7.47325291     -3.39264586
  H      1.83097131      7.81374240     -0.70788115
  H     -2.08871252      6.15261027     -5.36476165
  O      2.29134819      2.97603548      1.47972680
  H     -1.65330260      6.17629818     -0.57072941
  H     -1.25818106      6.46973375     -4.10039052
  O     -1.26211698      3.48250212     -3.21019093
  H     -2.44886571      6.84040200      0.58484355
  H      2.42119759      3.92285345     -0.11282916
  O      1.19367906      2.29138341     -2.42183849
  H     -2.34669731      5.91147130      2.68919585
  H      2.00315063      3.61311548     -1.57827953
  O      0.61472830      4.46600938      2.95812468
  H     -1.23060472      6.93591458      2.37657074
  H     -3.34287026      5.77173072     -3.12613590
  O     -3.68923509      2.94085356     -1.79675336
  H      0.46781399      4.76019711     -0.79187594
  H     -3.50497554      6.09184855     -1.62766250
  O     -1.95834531      5.89349020     -4.45661450
  H     -0.71897136      4.43751668     -1.72522826
  H      0.86844065      7.49388417      1.52793788
  O      2.27443807      4.32669710     -0.97668084
  H     -1.41342985      3.68527119      0.11060662
  H      0.64458062      7.94640766      2.99563086
  O     -3.88978088      5.58141942     -2.35392846
  H     -2.68637385      2.87570957     -0.19707270
  H      3.30971913      6.87860580     -2.58323292
  O      0.57327603      7.19131952      2.39821022
  H      0.99366725      1.82507773      0.62231385
  H      2.48033221      5.89270576     -1.72970961
  O      2.48186927      6.78419009     -2.11861941
  H     -0.51135485      1.77960832      0.29703364
  H     -2.14915561     11.87419676      0.51659429
  O     -1.59698585     11.09726944      0.53763991
  H     -0.39310029      8.13510643     -2.78141734
  H     -1.86630569     10.58211417      1.31935796
          69
 Energy    -250.32964663602837     
  O     13.39029097      1.63960047    -11.96248964
  H     13.24847317      0.69977034    -11.87727752
  H     10.84468180      6.25615221    -14.64077642
  O     18.20565348      6.26208268    -10.85387042
  H     13.14593605      2.03273628    -11.10651285
  H     14.34299258      4.96494426    -10.77557838
  O     13.36472986      8.02744241    -11.00819612
  H     18.00585133      6.52362391    -11.76196310
  H     14.44632888      5.25479446    -12.30549807
  O     14.96545692     10.18897200    -14.04733812
  H     18.03680462      5.31453988    -10.79005572
  H     15.11717279      2.27798024    -12.40288049
  O     17.21692095      8.20397081     -9.25436672
  H     13.62516046      7.11227291    -11.20102492
  H     15.83024737      3.42872314    -13.15397594
  O     15.16562941      4.19665845     -9.32537577
  H     12.94757136      7.99874374    -10.14132020
  H     11.90281845      6.54003629     -8.60976383
  O     17.58176066      3.49869657    -10.59443200
  H     15.46915219      9.67599518    -14.69009862
  H     11.89928579      7.83410064     -7.77012375
  O     12.73741372      8.59730564    -13.66136292
  H     15.36873544     10.00610872    -13.18807583
  H     10.91852600      5.09974428    -10.05805846
  O     12.81911681      2.78754543     -9.54889837
  H     17.91863143      8.58752464     -8.73479639
  H     10.08696478      4.75246407     -8.80012302
  O     16.18800720      8.19665050    -15.77403684
  H     17.61557221      7.47960132     -9.77146610
  H     16.37530298      8.96129330    -10.74875016
  O     17.14609617      7.28954063    -13.26508836
  H     16.04383544      3.94853662     -9.63502759
  H     14.96673297      8.79534063    -11.34726528
  O     10.57559663      6.81121470    -13.89957820
  H     15.24184815      5.00236986     -8.79174568
  H     14.28550806      6.96438467     -8.14406607
  O     13.91483029      5.41344158    -11.51577175
  H     18.22987938      2.83461592    -10.37528630
  H     15.79110297      7.23645284     -8.42828343
  O     15.98456117      2.65350824    -12.59630572
  H     17.05643272      3.14583890    -11.33550822
  H     10.86840681      5.82088739    -12.43826955
  O     12.39063687      7.36081448     -8.43786682
  H     13.38275213      9.28673731    -13.87323314
  H     12.13724529      5.24267100    -11.72458909
  O     10.95184579      5.03683693     -9.08572571
  H     12.82923632      8.43376139    -12.71254724
  H     16.15183196      5.79240255    -13.54927612
  O     15.86353144      9.09493661    -11.55597225
  H     12.16224111      3.45087943     -9.31880570
  H     14.89467477      5.54984010    -14.40914867
  O     15.17239527      6.59916249     -8.05061081
  H     13.67652024      3.18980310     -9.33982327
  H     11.43563395      3.81671717    -13.01191931
  O     11.16859868      5.19767431    -11.76065380
  H     16.47096117      8.25531107    -16.68308960
  H     12.39816364      2.64470454    -13.22981757
  O     15.48687101      5.12658646    -13.77504597
  H     15.37815987      7.65943845    -15.76762937
  H     11.82206887      4.28673647    -15.10390787
  O     11.82364627      3.25953766    -13.69966567
  H     16.69243684      7.91695488    -12.68219590
  H     11.31266786      4.54493256    -16.54094399
  O     11.76416117      4.95658460    -15.80914453
  H     17.02252679      7.61953837    -14.16324967
  H     13.17319163      6.11742811    -15.67481386
  O     13.86947932      6.72519138    -15.39465241
  H     11.18918090      7.55850028    -13.88830014
  H     13.46361145      7.35194835    -14.77694338
          69
 Energy    -250.32908731848545     
  O     12.61571077     10.10159993    -15.36971778
  H     13.40906251      9.62402212    -15.08922919
  H     14.50601803      5.55367795    -15.40552679
  O     15.70793773      7.04725621    -12.95521796
  H     12.91530732     10.99888030    -15.56678970
  H     15.90254557     10.60159631    -17.32489563
  O     17.39290850     11.10685888    -12.16029251
  H     16.54246344      7.41102651    -12.62827373
  H     16.79979176     11.41805522    -16.38564235
  O     17.74615707     10.61831237    -14.91436478
  H     15.04073070      7.16939174    -12.26766933
  H     15.35672750      8.34970377    -14.13342542
  O     12.63249289      5.82477534    -15.51911359
  H     17.41504387     11.23303978    -11.20330677
  H     15.35116514      8.92559723    -15.60330246
  O     14.59040713     10.45290683     -9.00632736
  H     16.49931825     11.34635829    -12.44318011
  H     10.07112021     10.04124461    -13.37422386
  O     13.74030153      7.59932095    -11.09432039
  H     16.95328667     10.06765692    -14.85933972
  H     11.46915875      9.90912818    -14.02665903
  O     14.82474528     11.45360831    -13.22709210
  H     17.86606333     10.96603335    -14.02143205
  H     17.83084474      8.18474478    -10.37113718
  O     17.35250493      6.59381959    -16.84326535
  H     12.05029343      5.07894113    -15.64145211
  H     17.57918348      9.30336227     -9.34437280
  O     15.06926839      7.64129438     -8.64218797
  H     12.38139047      6.23673554    -14.67376294
  H     11.48130852      7.88341089    -13.18392628
  O     18.87608174      8.01357473    -14.82827508
  H     14.64225376      9.52021428     -8.76209774
  H     12.52313502      7.05832318    -12.41298835
  O     15.45774959      5.53188350    -15.25411061
  H     13.96665264     10.50303039     -9.74159061
  H     18.45801748      8.13060481    -13.06934345
  O     16.05001364     11.49686039    -16.98940632
  H     14.12938022      7.48491154    -10.21834508
  H     17.84143936      9.27872035    -12.21856820
  O     15.20338352      9.13812498    -14.67064131
  H     13.53754197      8.54119499    -11.18547112
  H     17.44654401     11.81976210     -8.69105342
  O     10.96126755      9.73779225    -13.21509062
  H     14.52860755     12.05243285    -13.92207363
  H     16.23553209     11.01293866     -9.21917552
  O     17.55062410      8.34570060     -9.46018412
  H     14.97565583     10.60706648    -13.67724489
  H     16.24798053      7.99854975    -17.34888298
  O     11.94867863      7.04061933    -13.18930332
  H     16.68605581      6.13911626    -16.29575798
  H     14.73637027      8.40286390    -17.51500935
  O     18.03381012      8.33120241    -12.22170547
  H     17.77329193      5.92590052    -17.37808680
  H     12.24990985     10.18813520    -11.89255619
  O     17.18071435     11.19878038     -9.36392349
  H     15.98821831      7.81140559     -8.91895188
  H     13.67114102     10.79237880    -11.98463374
  O     15.63299695      8.74255503    -17.36903459
  H     15.11179712      7.08828370     -7.86713786
  H     13.72788717     13.43561630    -16.04730457
  O     13.07078989     10.30801493    -11.40013080
  H     18.43085766      7.50534597    -15.51588593
  H     14.69145278     12.23588398    -16.20427595
  O     13.93452844     12.57576071    -15.69205820
  H     18.70790475      8.94271388    -15.03163810
  H     12.63442572      8.74455078    -16.80887441
  O     12.99960322      7.99959865    -17.30017900
  H     15.59256118      5.91591755    -14.37584820
  H     12.83839129      7.21874303    -16.75399460
          69
 Energy    -250.32705580509409     
  O     11.69533604     11.50310049    -13.95924596
  H     11.94063143     11.63426576    -13.03527338
  H     17.72093179     13.25250587    -15.47352812
  O     20.03832792      9.81742399    -11.49249732
  H     11.71524038     10.54767479    -14.10244719
  H     14.78976464      8.60921461    -15.67116702
  O     16.59133676     11.80634183    -11.31611691
  H     19.81897394     10.61951936    -11.98487282
  H     13.26120041      8.79854059    -15.63328833
  O     13.10937094      7.76749812    -12.04724811
  H     20.11120324      9.11685388    -12.15110010
  H     15.30479616      9.98012928    -13.69350517
  O     17.24185645      7.32874606    -12.21137409
  H     16.09009281     12.57203013    -11.01740537
  H     14.73045866     11.40207895    -13.99761994
  O     15.12057796      6.00889055    -10.96691971
  H     16.08193094     11.43381838    -12.05453390
  H     14.48734755     11.16357602    -18.33387174
  O     13.92250091     12.59719733    -15.15057831
  H     13.01961295      8.32588340    -11.26538033
  H     14.47482277     10.30874146    -17.04358855
  O     18.54456141      9.90649903    -14.89293639
  H     13.75398569      7.09161117    -11.81151643
  H     16.17492979      8.53095615     -9.43696163
  O     17.54794946      9.39713447    -10.36134936
  H     16.57734590      6.72774069    -11.85368321
  H     14.63203775      8.61517533     -9.29195512
  O     17.36767745     11.90616390    -16.51285287
  H     17.31878813      8.06192473    -11.58205505
  H     16.29375332     14.29142870    -13.96811092
  O     19.67460256      7.72854702    -13.47522848
  H     14.97922723      5.16251209    -10.55207798
  H     14.83195961     13.86256216    -14.20578670
  O     17.96464713     13.92582331    -14.81227998
  H     15.21090173      6.66456292    -10.24967091
  H     14.96489320     14.14888228    -11.95873718
  O     14.02975302      8.86673180    -16.21220928
  H     14.12080391     12.19975131    -16.00646832
  H     14.66435630     14.75540433    -10.56663298
  O     15.00837426     10.80401223    -13.29121304
  H     13.05263842     12.28330248    -14.85927840
  H     13.72037069     11.22861381    -12.11005930
  O     14.75713685     11.16221827    -17.41953778
  H     18.63517351     10.60206901    -14.22429972
  H     13.53388044     12.47989019    -11.22739444
  O     15.38865823      8.02429989     -9.19109970
  H     19.06127328      9.15686538    -14.57378431
  H     18.65908354     12.70117850    -13.56383985
  O     15.40279961     14.36641711    -13.60795277
  H     17.14780749     10.25049932    -10.57925863
  H     18.08667422     11.95100997    -12.34471901
  O     14.73458512     13.92931894    -11.03609233
  H     18.48936922      9.49184801    -10.56580510
  H     11.15398848      8.12644969    -14.45677544
  O     13.12344690     11.63855407    -11.46314046
  H     16.51451529     11.62484626    -16.86282417
  H     12.36269980      8.33438822    -13.51886725
  O     18.80996358     11.94137124    -12.98799935
  H     17.79479744     11.12497379    -16.13812951
  H     12.27171394      9.58324500     -9.17187139
  O     11.91994693      8.67753753    -14.31476952
  H     20.16600596      6.92749836    -13.63834279
  H     13.02599609     10.31510242    -10.30329981
  O     13.01088147      9.50294966     -9.76995845
  H     18.84500366      7.46511193    -13.04272745
  H     16.95157496      9.05408757    -14.72645183
  O     16.15834533      8.56370384    -14.46749568
  H     18.45605536     14.59869273    -15.27627882
  H     16.41475769      8.03189088    -13.70436815
          69
 Energy    -250.32622131556840     
  O     11.84195056     11.13953065    -14.67147498
  H     12.51558408     11.82904992    -14.65254415
  H     13.95644360      6.03457208    -15.86671200
  O     15.68113598      6.82363689    -13.38385852
  H     12.13085895     10.50529273    -15.34241719
  H     16.47925957     11.58486331    -16.03743929
  O     17.64454699     10.44655430    -12.15834202
  H     16.59352456      6.95894759    -13.09968247
  H     15.47353947     11.17995997    -17.12099858
  O     17.52986122     10.49613836    -14.96679758
  H     15.42605504      7.65328253    -13.82032050
  H     14.94588933      9.88799978    -13.81177148
  O     12.16200620      6.62948881    -15.77261764
  H     17.81439825     10.42269884    -11.20897533
  H     14.31225990      9.26925731    -15.09783884
  O     15.12538686      9.57050435     -8.89992299
  H     16.72920740     10.75114754    -12.25254346
  H     11.16856314     10.38947070    -13.27796937
  O     13.82708526      7.07775358    -11.38316955
  H     16.71029335      9.97794555    -14.91323490
  H      9.95936185     10.21800985    -12.32580750
  O     15.00818629     11.20065391    -12.55332097
  H     17.78853440     10.65393377    -14.04982738
  H     18.07209645      7.28725532    -10.93344699
  O     16.56815221      7.22532497    -17.49944822
  H     11.97961718      6.82471135    -14.83484253
  H     17.95443605      8.23009524     -9.72230864
  O     15.35752998      6.71768432     -9.05980636
  H     11.44567683      6.08157375    -16.08189080
  H     12.35557773      7.07574148    -12.52428816
  O     18.59577250      7.95448056    -15.50344969
  H     15.11977944      8.60755216     -8.82364535
  H     11.31809872      8.12781793    -12.96826840
  O     14.90619780      5.86806257    -15.87403523
  H     14.41371820      9.78917263     -9.51385312
  H     18.03932028      8.65012637    -12.56347841
  O     15.70059347     11.89782989    -16.52056869
  H     14.48762226      6.92280310    -12.07550524
  H     18.49223139      7.67662287    -13.68092820
  O     15.06836392      9.22235615    -14.50228090
  H     14.24958357      6.84492588    -10.54792604
  H     18.12428759     10.59878746     -8.63522218
  O     10.84791376      9.91449697    -12.48958630
  H     14.32469395     10.82365605    -11.98107846
  H     16.80269299     10.00437378     -9.17763432
  O     17.82964593      7.31345678     -9.99845119
  H     14.62292845     11.88311942    -13.11600496
  H     15.17934601      9.61708476    -19.08700503
  O     11.69168323      7.26927012    -13.19923385
  H     16.97842260      6.59988763    -18.09214984
  H     15.68147372      8.75385238    -17.91057559
  O     18.23178779      7.72005506    -12.74979683
  H     15.96605405      6.71244133    -16.92983984
  H     13.46047950      8.84918450    -11.15552491
  O     17.75231662     10.11270255     -9.36606367
  H     15.41580969      6.04334465     -8.38868841
  H     12.34942513      9.89886988    -11.39122602
  O     15.12963797      9.51944854    -18.13865337
  H     16.25865208      6.84574919     -9.40851674
  H     14.62302731     12.57779306    -15.31170459
  O     13.22853510      9.77930940    -11.01185860
  H     17.96251419      7.63829616    -16.15584307
  H     14.06397943     13.86179341    -14.65846827
  O     14.05947321     12.91057201    -14.59065577
  H     18.42138390      8.90329492    -15.43117451
  H     13.59594699      9.29685304    -17.09290238
  O     12.95809622      9.24382720    -16.37039774
  H     15.21042756      6.01249908    -14.96674182
  H     12.66199938      8.32728304    -16.28737822
          69
 Ord_Energy   -250.325272    
 O   -4.32019949       9.23473644      -8.25914383    
 H   -4.42226219       8.27589703      -8.14462090    
 H   -3.52783608       9.36825466      -8.79391289    
 O   -4.10509729       5.78139162      -4.05946541    
 H   -4.87233639       6.36122322      -4.13633013    
 H   -3.33529472       6.33604670      -4.23187304    
 O  -0.857466698       2.25452948      -9.01435089    
 H  -0.282380044       1.59452832      -8.63490772    
 H   -1.40912390       2.59244895      -8.28949642    
 O   -2.51079488       3.35429525      -7.11632442    
 H   -2.28148746       4.29501438      -7.11580181    
 H   -3.00378728       3.18965077      -6.30261755    
 O   -7.69552565       6.76512527      -9.24821663    
 H   -7.39270878       7.62889481      -9.55069542    
 H   -7.10356808       6.12965631      -9.67596054    
 O   -6.42587233       9.23043346      -10.0769634    
 H   -6.87977743       10.0672197      -10.1504660    
 H   -5.75204945       9.34026432      -9.38662243    
 O   -6.33459282       3.47708941      -6.67637300    
 H   -5.94855022       3.16182971      -7.50337458    
 H   -5.66634035       3.31124997      -6.00077343    
 O   -4.67995358       2.88416719      -8.91595364    
 H   -4.25518036       2.41812730      -9.65080166    
 H   -3.96934009       3.09296393      -8.29603481    
 O   -2.18800068       9.37137318      -10.1279726    
 H   -2.86727214       9.17599869      -10.8002996    
 H   -1.67591119       10.1055126      -10.4562654    
 O   -3.04038548       1.84143150      -10.8649015    
 H   -2.25455284       1.85284734      -10.3040171    
 H   -2.82834721       2.40774012      -11.6161861    
 O   -7.10191679       6.10357475      -6.64176083    
 H   -6.95406055       5.14515400      -6.63143253    
 H   -7.45874071       6.34939051      -7.50835037    
 O   -2.08900928       3.72836256      -12.8361101    
 H   -1.69254613       3.52606630      -13.6791258    
 H   -1.35964954       3.92211294      -12.2187195    
 O   -2.09271622       6.07635403      -7.17716837    
 H   -3.02956676       6.21780300      -7.39455795    
 H   -1.91520596       6.58731174      -6.37904978    
 O   -2.02381444       7.59507990      -4.82594872    
 H   -1.38687479       8.04022312      -4.27417517    
 H   -2.71949458       8.24481678      -5.03617859    
 O   -4.17533493       8.63995552      -11.8041306    
 H   -5.03353596       8.74195004      -11.3765612    
 H   -4.02721071       7.69248581      -11.9302750    
 O   -3.40729880       5.93813515      -11.7221794    
 H   -2.74475622       6.13814306      -11.0453615    
 H   -3.05400443       5.20541000      -12.2412500    
 O   -4.65510082       6.52907515      -7.92041922    
 H   -5.41603041       6.40020847      -7.34141922    
 H   -4.89579058       6.10932159      -8.75750542    
 O  -0.273552924       4.31410027      -10.9062548    
 H  -0.527669072       5.15907812      -10.5122147    
 H  -0.373822510       3.64565897      -10.2165041    
 O   -6.27097511       7.58342409      -4.54948902    
 H   -6.66189528       7.07431412      -5.28178215    
 H   -6.98689222       7.81310940      -3.96283436    
 O   -1.44867527       6.64913988      -9.81438351    
 H   -1.58262646       6.44535208      -8.87824154    
 H   -1.55489779       7.60365725      -9.90718555    
 O   -4.13514423       3.19516063      -4.84243250    
 H   -4.12366533       4.11748457      -4.52868509    
 H   -4.16970015       2.64078236      -4.06742477    
 O   -5.55780840       5.18710327      -10.1611776    
 H   -5.32765961       4.32679367      -9.78202629    
 H   -4.87825632       5.40360498      -10.8129616    
 O   -4.10259199       9.20867825      -5.44398308    
 H   -4.90504313       8.75981045      -5.14792585    
 H   -4.21106529       9.37991428      -6.38824224    
          69
 Energy    -250.32441610261117     
  O     11.67685098      6.38532215    -14.60328413
  H     12.24752959      7.15547425    -14.72836445
  H     20.21730464      8.78314470    -14.78965716
  O     16.73558872      5.75296411    -13.15864085
  H     12.14793101      5.64012938    -14.99661391
  H     16.63305078     11.42910219    -13.60133243
  O     16.69684537      9.51017869     -8.32709580
  H     16.21597243      5.39766068    -12.42514847
  H     15.23210872     11.98585641    -13.28618627
  O     13.42015824      4.28084363    -15.45314162
  H     17.65187415      5.87903743    -12.87064887
  H     16.82981678      8.04193593    -11.16804432
  O     14.80614403      7.56310755     -8.40713889
  H     15.94887879      8.88619974     -8.33800896
  H     16.41763662      7.48398329    -12.54136197
  O     14.98419682      5.00219558    -11.12513303
  H     16.81266484      9.78265220     -7.42017392
  H     11.28754256      5.96237084    -12.96465376
  O     13.81126468      9.27839835    -12.12712530
  H     13.47431926      3.72331061    -16.22491071
  H     10.23367123      5.51443546    -11.92388424
  O     19.19909468      6.58560757    -12.29321946
  H     14.15171715      4.91818926    -15.51740085
  H     17.60373719      6.72281148     -9.48378270
  O     16.52551538      5.30774047     -8.90849479
  H     14.12183719      7.44058885     -9.07813771
  H     17.75500494      8.24789476     -9.25752456
  O     15.19459762     10.29209084    -16.13366377
  H     15.32416853      6.74908703     -8.40817841
  H     13.28400069      3.75748673    -13.60808723
  O     15.32481965      6.24930857    -15.40781728
  H     14.42182008      5.77299482    -10.96281536
  H     12.41973375      4.19746661    -12.41221567
  O     19.45109408      8.71483921    -14.22590576
  H     14.43926480      4.37652469    -11.62448496
  H     18.58791068     10.03503653    -13.15589155
  O     15.84184687     11.80586199    -14.01062247
  H     13.82825762     10.22365133    -11.93831645
  H     17.27963410      9.69543962    -12.44369281
  O     16.31883978      8.24920258    -11.96143430
  H     14.72398047      8.95701729    -12.03838373
  H     17.21815522     11.23669614    -11.04704413
  O     11.16982539      5.64176558    -12.05195117
  H     19.37146890      7.32328157    -12.89236956
  H     16.65172951     10.84114496     -9.65700392
  O     18.00408943      7.52493783     -9.84711309
  H     18.99575659      6.96978110    -11.43109059
  H     14.06337459      9.07044975    -15.30374177
  O     13.17814799      3.65109686    -12.65462080
  H     16.73710512      4.48937317     -8.46733472
  H     13.63286468      8.73299411    -13.85256763
  O     17.87578084     10.43373540    -12.64360936
  H     16.00098822      5.07588111     -9.69476268
  H     13.26331258      7.87171703    -11.13855906
  O     16.59696822     11.50341446    -10.35658404
  H     15.40945561     10.88946502    -15.39411841
  H     12.38950886      6.59209089    -11.01998214
  O     13.63415944      8.39807216    -14.76010094
  H     15.04584326     10.84078489    -16.89877473
  H     13.80630550     12.75201934    -11.25126280
  O     13.13970407      7.05787144    -10.62938516
  H     14.74601364      6.98283150    -15.15291841
  H     15.07816484     11.88105599    -11.10277314
  O     14.26402802     12.00432617    -11.62491013
  H     15.85183452      6.00661541    -14.62860179
  H     16.63610783      9.05532980    -15.97525872
  O     17.25995170      8.33899921    -15.80587619
  H     18.68869294      8.56009637    -14.81239121
  H     16.73045025      7.53343843    -15.81667886
          69
 Energy    -250.32399241431116     
  O     -5.24553230     -3.75852467     -2.25806936
  H     -6.07735176     -3.99324891     -1.81444336
  H     -7.75694760     -4.43640283      2.90960188
  O     -7.43679850     -4.46171729     -0.79358996
  H     -4.88340672     -4.57981245     -2.61156698
  H    -10.73743574     -4.02112026     -2.01124634
  O     -4.89895241     -3.28740371      1.87793152
  H     -6.89635995     -4.93130855     -0.14078867
  H    -10.15608092     -4.58176321     -3.33372446
  O     -7.19775937      1.83939784     -1.52437275
  H     -8.02956599     -3.87199440     -0.31494721
  H     -5.32995745     -7.22708972     -1.97665383
  O     -9.11466703     -2.72554232      0.69373472
  H     -4.95488542     -2.69809892      1.10751709
  H     -5.61156154     -7.11553783     -0.45963959
  O     -5.32143571     -0.02423244     -4.74795081
  H     -4.14191504     -3.00164282      2.38352180
  H     -9.38779358     -6.88775262     -0.11514167
  O     -7.96182838     -6.31329944      2.67009188
  H     -7.49145715      2.72806364     -1.34573019
  H    -10.37566658     -5.85667203      0.45657214
  O     -7.93415274      0.90490371     -3.96138720
  H     -7.51897869      1.60769472     -2.41534830
  H     -7.72699863     -5.60724089     -4.75325284
  O     -6.39731531     -2.61423764     -4.50317907
  H     -8.72325836     -1.93694310      0.29459566
  H     -6.76731196     -4.41163576     -4.98430395
  O     -8.36839247     -6.89389066     -1.69901685
  H     -8.64835506     -2.91019641      1.52298388
  H    -10.51074768     -3.64677702      0.19119858
  O     -4.73525779      0.50633631     -2.13479251
  H     -5.03504704      0.15120405     -3.83394272
  H    -12.03256709     -3.91877759      0.14516974
  O     -7.61326403     -3.48366057      2.83937276
  H     -4.67438301      0.37865248     -5.32080185
  H     -8.09349696     -1.13437356     -1.58737883
  O    -10.41626306     -3.76883162     -2.88427933
  H     -8.65694166     -6.42918058      1.99741550
  H     -7.65063488      0.15127234     -0.83806658
  O     -5.77450805     -7.66324821     -1.23842489
  H     -8.12841684     -6.96061377      3.34987449
  H     -4.02276101     -6.54818683     -4.05047750
  O     -9.80522472     -6.59434466      0.70537677
  H     -7.10345504      0.67125595     -4.39358369
  H     -5.46920724     -5.99994142     -4.04241133
  O     -6.81456255     -5.37660709     -4.96292939
  H     -8.37486133      0.06340490     -3.77602582
  H     -9.94978372     -6.85330463     -4.50889522
  O    -11.18974553     -4.25725002     -0.14738882
  H     -5.99094431     -1.76658179     -4.72142365
  H     -9.09041603     -6.54777749     -3.25837068
  O     -7.77632277     -0.79880052     -0.73336217
  H     -5.92244564     -2.95889244     -3.73180289
  H     -5.04757996     -2.42807712     -1.07203533
  O     -4.70904105     -6.22260704     -3.47413113
  H     -7.53231633     -7.36917570     -1.59020871
  H     -6.07860301     -1.43828270     -0.45729851
  O     -9.42857325     -6.17265165     -4.09042043
  H     -8.16457686     -5.97423207     -1.46668724
  H     -9.34569321     -2.37419739     -3.09586872
  O     -5.16207137     -1.74572909     -0.39297101
  H     -5.46756759      1.06710824     -1.84767207
  H     -7.93439345     -2.06725964     -3.68205798
  O     -8.66554346     -1.69021585     -3.17442077
  H     -4.69575962     -0.21958273     -1.50101037
  H     -6.44415486     -6.09578365      1.63033221
  O     -5.77531388     -5.83407536      0.98167235
  H     -6.68131056     -3.36612475      2.61921812
  H     -5.33804537     -5.04387309      1.32365207
          69
 Energy    -250.32397533762736     
  O     -8.06173206      1.42706516      6.47034950
  H     -8.49692187      2.16041749      6.92095570
  H     -4.62048782      0.91182039      2.79093076
  O     -5.21061944      3.30356341      5.11288082
  H     -7.86937437      1.76140290      5.57947037
  H     -9.27182598     -1.07704707      5.08288112
  O     -6.00884726     -0.40831472      5.87121855
  H     -6.01961712      3.00884355      4.66486446
  H     -9.25468294      0.23347671      5.89915553
  O     -7.04607742      5.13924156      6.34518717
  H     -4.61398478      2.54833289      5.06610836
  H    -12.30013400      3.90420374      5.46644254
  O    -12.11430472      0.37143965      6.91674669
  H     -6.55420729     -1.03841681      5.38616338
  H    -12.77907993      3.47897676      6.86231264
  O     -7.54787353      2.40263547      3.96627305
  H     -6.62778483      0.21247817      6.27832290
  H    -13.53420061      2.22299616      5.10369426
  O     -9.44116968      3.73219890      7.13962234
  H     -7.80480213      4.68707389      6.73281164
  H    -14.53506596      1.25515329      4.42822967
  O    -11.78293757      2.67974057      8.34506579
  H     -6.37111447      4.47330257      6.16172580
  H     -8.24013092      0.37320360      1.75142804
  O     -8.77415140      4.75150755      2.96801128
  H    -11.34554388     -0.03720723      6.49746838
  H     -6.69451067      0.26748666      2.09434978
  O     -5.32617146      3.47982460      0.85141980
  H    -12.72276295      0.57425718      6.19639945
  H     -7.69565217     -2.78341693      3.84026307
  O    -11.05938836      1.17678363      3.48781329
  H     -7.98766436      3.16060294      3.56184552
  H     -7.73728466     -1.26693890      3.52772636
  O     -5.08332324      0.88210404      1.94451692
  H     -7.56771886      1.65304185      3.36152400
  H    -10.09322292      4.25095701      4.01841748
  O     -9.84288558     -0.39148895      5.44770392
  H    -10.17310501      3.47170553      7.71174992
  H    -10.75151864      2.87231293      4.25011569
  O    -13.09458032      3.67717396      5.97247157
  H     -9.81945335      3.78377554      6.24858165
  H     -7.20929078      3.51631209      0.58174582
  O    -13.61535162      1.36198989      4.65437113
  H    -12.09539353      2.55923942      9.23787673
  H     -8.61594925      2.84644535      0.63485269
  O     -7.59272791      0.02491917      2.37470969
  H    -11.87128680      1.81776556      7.90062998
  H     -4.65585018      0.34425933      5.06939477
  O     -7.82593959     -1.92727998      4.23884224
  H     -8.58513322      4.54554863      2.04116644
  H     -3.12602680      0.43839224      4.86686338
  O    -10.66763818      3.75904732      4.62206975
  H     -8.21770036      5.48677997      3.25110605
  H     -5.65903634      5.78066753      3.26742237
  O     -8.15884415      3.69074240      0.54516860
  H     -4.76136567      3.79244421      0.14883932
  H     -4.91826344      4.52964154      3.75602615
  O     -3.95382734      0.82646253      4.59609177
  H     -5.21041669      4.09747268      1.59555083
  H    -10.22489288      1.29090647      1.89304158
  O     -5.02578122      5.10926866      2.98897223
  H    -10.60545522      0.59947559      4.11896340
  H    -10.31322705      1.03291120      0.37365857
  O     -9.71115950      1.29164840      1.06770180
  H    -11.99008102      1.19262393      3.74767833
  H     -7.10072928      6.19905551      4.96732998
  O     -7.11295514      6.68432981      4.12156499
  H     -5.08129853      1.77749734      1.58213621
  H     -7.20494835      7.60855521      4.33464009
          69
 Ord_Energy   -250.322723    
 O   -4.46373940       7.20439529       4.93501043    
 H   -4.64734697       6.30675364       4.62938356    
 H   -3.65088892       7.46070957       4.48528814    
 O   -3.94277477       3.98669124       10.8045464    
 H   -4.17684460       4.25985909       11.6873865    
 H   -3.11020303       4.44107771       10.5790043    
 O   -1.88542175       7.67876053       8.60383415    
 H   -1.55197251       7.36550379       7.74535465    
 H   -1.48063409       8.52762413       8.76386929    
 O   -4.80862570       1.73668301       4.82318592    
 H   -3.86638927       1.55130541       4.94155931    
 H   -5.24104595      0.887050092       4.67554474    
 O   -4.65201950       7.36217690       7.71763039    
 H   -3.77027249       7.57978392       8.03703880    
 H   -4.61746597       7.39572287       6.74924040    
 O   -1.68885934       5.24531174       10.0574522    
 H   -1.74774945       6.10024023       9.61282921    
 H  -0.943464100       4.77577543       9.66525650    
 O   -4.34176540       4.42709923       4.30534506    
 H   -3.82647681       4.47726345       5.12612200    
 H   -4.69011688       3.52793336       4.28678322    
 O   -1.17972732       6.55660057       6.22717571    
 H   -1.34852755       6.97124481       5.37186527    
 H   -1.84549713       5.85975647       6.34829903    
 O   -1.95596969       4.91191912       2.95169902    
 H   -1.37881660       4.21467352       3.28222728    
 H   -2.84421802       4.69468260       3.27002859    
 O   -3.94893193       1.58123207       9.36395931    
 H   -3.95252132       2.31410480       9.99218845    
 H   -4.60104752       1.80113387       8.67902565    
 O   -2.95524955       4.49783707       6.70329762    
 H   -3.69820356       4.67003870       7.29705000    
 H   -2.49985147       3.71721864       7.03923464    
 O   0.366091967       3.68045926       8.82526112    
 H   0.535359859       3.95584631       7.90531206    
 H    1.21194100       3.46779132       9.20990849    
 O   -5.19969130       4.80360746       8.36904240    
 H   -4.87321997       4.63609505       9.26056004    
 H   -5.14958477       5.75855875       8.20218182    
 O   -4.14509773      -1.10284340       8.73580933    
 H   -3.95359159      -1.68870676       9.46434689    
 H   -4.01357031     -0.198739454       9.06463528    
 O   -5.77402735       2.28071785       7.41164207    
 H   -5.44479609       2.19542813       6.50660372    
 H   -5.75185156       3.21757388       7.65134907    
 O   -2.10607409       1.06287432       5.32302999    
 H   -1.92351520       1.42615914       6.20306778    
 H   -2.40733385      0.153045356       5.46187401    
 O   -5.92505932     -0.860054553       4.84325647    
 H   -6.57127810      -1.35620034       4.34878016    
 H   -6.27893209     -0.753029525       5.74447012    
 O  -0.371774077       2.79781556       4.08494425    
 H  -0.991361558       2.14474964       4.45039892    
 H   0.223988861       2.31367183       3.51710606    
 O   -6.61726427     -0.402428508       7.43198538    
 H   -5.88855934     -0.766646028       7.94928455    
 H   -6.52671051      0.558718026       7.49938917    
 O   -3.31413841      -1.31391227       5.96198130    
 H   -3.52446580      -1.30987859       6.90372515    
 H   -4.16418314      -1.30266631       5.50437927    
 O   -1.85261774       7.50081301       3.69889951    
 H   -1.84426653       6.59329939       3.34181619    
 H   -1.58197188       8.07838249       2.99120665    
 O   0.626168072       4.41969490       6.24779940    
 H   0.125282764       5.24413633       6.17816877    
 H   0.339772016       3.86571693       5.51230145    
 O   -1.75410140       2.19621658       7.78005552    
 H   -1.00629222       2.58776093       8.24723721    
 H   -2.43192172       1.94911885       8.42265797    
          69
 Energy    -250.32208610839714     
  O     13.90809924     10.00849217    -15.78139922
  H     13.34782787     10.77960992    -15.74996759
  H     17.49122297      2.62664555    -17.88067636
  O     14.52423149      3.58841148    -16.27971738
  H     13.31843218      9.23365919    -15.82934182
  H     20.12503984      7.13275344    -14.74855440
  O     17.26973873      7.76161648    -12.18381282
  H     15.42075890      3.39311457    -16.57762443
  H     19.64854609      5.75095888    -15.24174662
  O     19.87354226      7.25265149    -17.91106513
  H     14.56137701      3.70491973    -15.32014147
  H     18.83269903      8.54564260    -17.05091495
  O     17.63829679      5.67022883    -18.73384081
  H     18.03806564      8.08941707    -12.66608663
  H     17.53273877      9.41158430    -16.91349899
  O     13.06187569      6.49104205    -10.46888696
  H     16.49515275      8.14045622    -12.62701357
  H     17.09380846      7.67570618    -15.94623048
  O     14.64453149      4.26595114    -13.52146394
  H     20.67680425      7.35807938    -18.41394538
  H     16.01865978      7.49277315    -14.85308451
  O     15.10308431      8.54642802    -13.67441479
  H     20.12976128      6.90921102    -17.03589920
  H     12.49458650      7.32836225    -14.89829314
  O     18.07969310      4.80603400    -15.13886437
  H     16.94200480      6.28264968    -18.99778102
  H     13.00031291      7.13543282    -16.33782413
  O     13.80798553      3.72895766    -10.94225065
  H     18.40901751      6.20624288    -18.51164712
  H     17.18164557      3.56529998     -9.65930483
  O     19.33310309      8.72339103    -13.89952151
  H     12.53227198      6.85731782     -9.76587157
  H     16.84811094      4.32480830    -10.96465657
  O     17.20647874      3.36485649    -17.34867476
  H     13.99036294      6.69397127    -10.25658136
  H     14.27890653      5.21996060    -16.92686172
  O     20.33258433      6.42437453    -15.36853608
  H     15.54015698      4.52722706    -13.27481425
  H     15.11302979      6.47501222    -16.58718101
  O     18.27824747      9.02861409    -16.42491679
  H     14.24669413      3.91416936    -12.71105417
  H     17.65678062      4.79019238    -13.40325026
  O     16.49681461      7.02776385    -15.55151494
  H     14.76154900      9.18524560    -14.31131352
  H     17.26291043      5.94483364    -12.43520729
  O     12.47083821      7.72260519    -15.77998901
  H     14.38655792      7.92221098    -13.48320809
  H     16.03712207      5.95385597     -9.83338620
  O     16.52276690      4.11822729    -10.07079045
  H     17.86658773      4.16789761    -15.82982728
  H     16.30942872      7.27320542    -10.58603359
  O     14.36592785      6.16461539    -17.11971504
  H     17.50036024      5.57061982    -15.28940100
  H     14.87166644      7.35021620    -20.07049851
  O     17.23036849      4.98559632    -12.55796184
  H     14.68301382      3.73127968    -10.53329986
  H     14.92708184      6.92627608    -18.58324919
  O     15.71259978      6.85589756     -9.95298616
  H     13.41493422      4.57877157    -10.70860887
  H     13.62929916      5.80177935    -13.45650538
  O     15.40714505      7.40465534    -19.28287347
  H     18.93414872      8.92831814    -14.76262753
  H     12.98853097      6.62711338    -12.31343731
  O     13.16707702      6.62956785    -13.26241892
  H     19.89755126      9.46158820    -13.68037121
  H     15.76854968      9.01108143    -18.31032763
  O     16.00649828      9.72729131    -17.70856691
  H     17.33217693      4.16528481    -17.88988299
  H     15.26305047      9.84627825    -17.10424190
          69
 Energy    -250.32071649992480     
  O     11.35851970      9.45269256    -14.76972513
  H     11.67979454     10.35977997    -14.82550475
  H     16.84177596      4.84904858    -15.73344245
  O     16.45364948      7.13909468    -13.52795152
  H     11.62973380      9.00082068    -15.57783475
  H     14.43199779     11.28280135    -16.95479572
  O     16.71075995     11.45769695    -12.18687380
  H     17.13267537      7.77654169    -13.27036312
  H     15.30987101     12.19584566    -16.08311770
  O     16.78848055     11.49892170    -14.98350098
  H     15.89824897      6.97549225    -12.75284886
  H     15.45902858      8.49690462    -14.34616433
  O     13.54266382      6.03631185    -15.78310960
  H     16.87510318     11.47581841    -11.23614777
  H     14.77865695      9.26147729    -15.53486961
  O     15.03182376      9.47105774     -8.82570238
  H     15.75255092     11.37396719    -12.29943674
  H     11.17088930      8.57822604    -13.29005484
  O     14.85507711      6.83941338    -11.31836800
  H     16.90414552     11.78560067    -14.06887887
  H     10.15105529      7.95956180    -12.30528942
  O     14.01417501     10.99764417    -12.75744730
  H     16.18042502     10.74343534    -14.92640547
  H     18.09507376      9.57524567     -9.84345547
  O     16.84883792      8.07544595    -17.28837888
  H     13.30782799      5.93149710    -14.84859455
  H     18.50003524      8.76909932    -11.09146449
  O     16.53035975      7.02867700     -9.08491201
  H     14.47845666      5.82825575    -15.86458799
  H     12.18926493      6.57283993    -12.90537666
  O     18.72223048      9.68891154    -15.69643986
  H     14.29763808      9.37798491     -9.44729998
  H     13.55418171      6.03881245    -12.45052708
  O     16.39341672      5.68660475    -15.81679581
  H     15.44785475      8.60192459     -8.77070139
  H     18.56539303      9.30675166    -13.81658512
  O     14.44612393     12.14269945    -16.50767104
  H     14.30751703      7.62816610    -11.19482098
  H     17.70013637      9.95571455    -12.70132950
  O     15.05687218      9.33056467    -14.61328636
  H     15.41059771      6.76210221    -10.53338974
  H     17.23010537     11.75409379     -8.70220883
  O     11.08481624      8.07072831    -12.46265381
  H     13.40037507     11.54681432    -13.25777497
  H     16.29818824     10.61343674     -9.17792599
  O     18.39339847      8.70393059    -10.13398562
  H     14.31978744     10.32340103    -13.38815186
  H     13.71847014      8.93578645    -17.41801398
  O     12.86297572      5.91343117    -13.11190550
  H     17.52817414      8.53247480    -16.78033285
  H     15.29517862      8.96263457    -17.49379729
  O     18.23612165      9.17866242    -12.91912786
  H     16.74691704      7.20465208    -16.88337023
  H     13.48089777      9.81927555    -11.51158460
  O     17.07291976     11.15115338     -9.42365480
  H     16.91881481      6.43976624     -8.44407281
  H     12.40760470      8.72525560    -11.33440168
  O     14.50004567      9.49870686    -17.35169019
  H     17.25655227      7.56033880     -9.45780424
  H     13.09692084     12.19318371    -15.40298066
  O     13.21781144      9.07895454    -10.94579154
  H     18.10861420     10.43072536    -15.55847549
  H     11.83322281     12.91402132    -14.88074814
  O     12.38103710     12.14581026    -14.74445204
  H     19.48126300     10.04380004    -16.15386479
  H     12.66410464      7.22034809    -16.61103629
  O     12.20142339      7.95285697    -17.06101272
  H     16.46693554      6.13317211    -14.95478749
  H     11.59177935      7.55697794    -17.67736925
          69
 Energy    -250.32065578522406     
  O     11.15047374      9.06531980    -15.62477183
  H     11.03770261      9.93233852    -15.21102854
  H     18.51420851      9.19252177    -16.20104708
  O     15.77211913      7.85767347    -11.16261128
  H     11.30119055      8.43809431    -14.90837970
  H     16.64037985     10.90970538    -10.43670062
  O     16.10169582     11.99519488    -14.28057257
  H     16.26701933      8.62277881    -10.84628509
  H     17.82278813     10.26041770     -9.67901946
  O     12.58399015      9.47550726    -17.88883200
  H     16.24063281      7.55845984    -11.94994251
  H     17.22585732     10.90240263    -16.70596657
  O     13.76792057     10.60758863    -13.72005038
  H     16.70743468     11.36555587    -13.86077828
  H     15.86438092     10.23301613    -16.96207136
  O     12.80511495     14.41462590    -13.13176618
  H     16.13517924     11.81758847    -15.22912070
  H     11.00483988     11.94318681    -13.60817788
  O     12.98268733      8.09790621    -11.24763554
  H     12.06548590      9.28507922    -17.08610452
  H     11.47422039     12.38838285    -15.01825276
  O     12.30330759     13.81985116    -15.87988241
  H     12.01650465      9.28571069    -18.63124965
  H     15.43463173     12.84456409    -11.10395017
  O     12.94700295     10.92060504    -11.08996670
  H     12.96649771     10.98669772    -14.10151430
  H     14.52176217     11.72206580    -10.55802385
  O     17.62908284      7.49198703    -16.57975384
  H     14.51965063     11.17350883    -13.93617096
  H     12.17514350      7.52426001    -12.66061098
  O     16.87213613      7.52414565    -13.81281965
  H     13.74522496     14.35844048    -12.92043712
  H     11.34815706      6.39374638    -13.31324455
  O     18.70486740     10.11223715    -15.97777051
  H     12.72813741     14.30357980    -14.08768369
  H     13.27955100     11.22144904    -17.57750642
  O     17.31712133     10.21092896    -10.48564281
  H     12.85387769      9.02232566    -11.00472900
  H     14.64797870     11.88032648    -17.30012281
  O     16.29652850     11.09595640    -16.89828103
  H     13.93591590      7.93906581    -11.18296862
  H     17.77685801     10.18257198    -12.27758417
  O     11.23852400     11.61685796    -14.48672485
  H     11.91492284     14.45916799    -16.47149644
  H     17.48957678      9.19676358    -13.43030703
  O     15.40310411     12.11253217    -10.47850957
  H     12.85377673     13.23272136    -16.42895192
  H     15.79570170     13.37850405    -13.24618825
  O     11.81183343      7.20349207    -13.50748071
  H     12.20915238     11.52808367    -11.21659341
  H     16.24218481     14.72491750    -12.63029975
  O     13.70092881     12.06015579    -17.35352858
  H     13.29832593     10.74275849    -11.97712196
  H     14.80085894      8.31614951    -16.14955839
  O     17.80077249     10.09337094    -13.23877070
  H     16.75427040      7.80127274    -16.86705550
  H     14.28664912      8.77619002    -17.52168583
  O     15.55640053     14.06229754    -12.59692901
  H     17.91073500      6.84045211    -17.21740568
  H     11.64309501     13.44528173    -12.28856252
  O     15.09254121      8.53798472    -17.04815722
  H     15.92508027      7.64349483    -13.98924873
  H     10.33386428     13.30152067    -11.47118640
  O     11.00108952     12.80226582    -11.93365483
  H     17.27166996      7.33799940    -14.66956781
  H     13.48590054      7.54352987    -14.23551880
  O     14.27190228      8.03803336    -14.49227935
  H     18.60802480     10.17362125    -15.01888235
  H     14.12305226      8.94488611    -14.18152590
          69
 Energy    -250.32014360667500     
  O     -0.29491333      0.97094432      1.63855376
  H     -0.47292465      1.58139185      2.36686593
  H     -1.60672944     -1.13552334      3.20477690
  O     -0.95380942     -1.41964450     -1.08345068
  H     -0.89622163      0.22406055      1.75478873
  H      3.64015007      0.68323250      4.01839248
  O      2.05804929     -2.60410151      3.94133079
  H     -1.26837481     -2.12546699     -0.50503765
  H      2.18179073      0.38196117      4.45412100
  O     -2.58643871      0.71269049     -1.47320543
  H      0.00725428     -1.42967776     -1.00926375
  H     -2.00425517     -4.23874132      0.86401639
  O      3.01209499      2.95607662      1.53808470
  H      2.48955886     -3.16515266      4.58211286
  H     -0.67637315     -3.48137275      1.11621767
  O      1.88088039     -1.60823367     -0.58880230
  H      2.48659030     -1.73505161      4.00235189
  H      0.90730449      5.16076274      2.61836111
  O     -3.66155318      0.97237159      1.20548957
  H     -1.99971120     -0.05743250     -1.36502157
  H      1.79736134      3.89590322      2.63124863
  O      0.24912609      6.25240822      1.27133339
  H     -3.09818420      0.55724452     -2.26250242
  H      3.30801300      3.07644172      5.04634757
  O     -3.42805783      3.25199304      2.63899546
  H      2.64524788      3.46190297      0.79714961
  H      2.02741732      3.88928306      4.83229395
  O     -0.89270613      2.68273832      3.70511759
  H      2.79752350      2.02926758      1.36693732
  H      0.83367221      3.70447521     -0.58774109
  O      1.02714226     -3.44987472      1.42025176
  H      2.10539831     -0.90668959      0.04597374
  H      1.19852285      5.05212307      0.06412031
  O     -2.08322713     -1.02922169      2.36730583
  H      2.57109855     -1.61520748     -1.24708130
  H      0.30570337     -1.85147786      4.39867821
  O      2.96378953     -0.00432063      4.02923102
  H     -3.24388058      0.23122963      1.66650317
  H     -0.10558248     -0.49272874      4.98684169
  O     -1.61512850     -3.36905225      0.87919797
  H     -3.37339687      0.91433122      0.28726402
  H     -0.52626412      2.05221591      0.21081347
  O      1.19540702      4.42450715      3.17284527
  H      0.08863388      7.18245468      1.14080735
  H     -1.35060782      2.09057664     -1.07607006
  O      2.49453564      3.35058176      5.48524091
  H     -0.59371517      5.79228810      1.10035998
  H      2.58136771      0.06856397      2.23071937
  O      1.58034428      4.27728329     -0.36557876
  H     -4.25849937      3.42983750      3.07185755
  H      1.33588913      0.50278663      1.41882694
  O     -0.45886927     -1.29333223      4.57879399
  H     -3.55284859      2.43876669      2.11627568
  H      0.08780567      1.63032638      4.80640553
  O     -0.71374358      2.60247366     -0.56418023
  H     -1.77684554      2.95999708      3.43716917
  H      1.38200256      1.88442748      5.58631174
  O      2.27632118      0.26896449      1.33733188
  H     -0.26839201      3.40193434      3.52881395
  H      4.10203880      2.63478711      2.92484046
  O      0.78865537      1.17609665      5.29620810
  H      1.42404845     -2.89901435      0.73384001
  H      5.47157602      2.57634451      3.63772435
  O      4.55732228      2.31860090      3.72399357
  H      1.41755192     -3.17822725      2.25958605
  H     -2.52588842      4.35077174      1.40066037
  O     -1.93140859      4.76261244      0.76327037
  H     -2.01446224     -1.86525280      1.89118529
  H     -1.57714541      4.03944520      0.22740782
          69
 Energy    -250.31896753736038     
  O     -5.55636746      1.33067266      0.40092119
  H     -5.47918644      1.68904461      1.29669899
  H      0.86984500      2.99044621      3.89724379
  O     -5.54022130      0.80225188     -3.94276728
  H     -5.09297427      1.97453084     -0.15205461
  H     -0.60743320      4.20940683      2.13417080
  O      0.03623529     -1.58062350      1.45724772
  H     -5.18130793     -0.07066937     -4.14511088
  H     -0.63324182      4.55753154      0.63750174
  O     -1.60213529     -0.85397860     -0.70566960
  H     -6.13671044      0.67252133     -3.19505579
  H     -4.00440212      4.00338425     -0.17229746
  O     -4.13735685     -1.68844996     -4.17354755
  H      0.43573258     -2.40740281      1.71327311
  H     -3.21728045      2.71075953     -0.46419492
  O     -4.09698141     -1.10889222      0.42491329
  H     -0.79251188     -1.49871301      1.96495611
  H      1.46112835      1.39830520     -2.00098881
  O     -2.02389171     -0.15163125     -3.30408758
  H     -2.48001864     -1.00278784     -0.31897114
  H      2.87918209      1.69961123     -1.46800663
  O     -3.37916880      2.34803338     -3.29927589
  H     -0.95068813     -1.19508441     -0.08205677
  H      0.77811987      3.10595707     -0.96869144
  O      1.24599172      0.99869098      1.47627687
  H     -3.91403436     -2.25458396     -4.90787944
  H     -0.35172872      3.77215401     -1.79786913
  O      0.46087637      1.21158521     -3.42576237
  H     -3.32333104     -1.21999433     -3.92398383
  H     -6.15275248     -1.44820603     -1.70457341
  O     -2.35140180     -1.21090441      2.65722774
  H     -4.56095160     -0.26497263      0.49394047
  H     -5.04208848     -2.11485029     -2.53618862
  O      0.24514184      2.86244853      3.18861346
  H     -4.56890870     -1.62462702     -0.24564907
  H     -2.15562471      1.65294672      1.88990273
  O     -1.04015125      4.77793104      1.48547889
  H     -2.47607192      0.70161709     -3.24416258
  H     -1.45234340      2.00739936      3.20441664
  O     -3.94831242      3.26383690     -0.78877893
  H     -1.85092969     -0.45747618     -2.39980442
  H     -1.67370938      0.89888913     -0.22805867
  O      1.96161200      1.66365328     -1.20918807
  H     -4.16597048      1.89780534     -3.64005232
  H     -1.14330338      2.37295621     -0.18990805
  O     -0.00906289      3.66152700     -0.90156809
  H     -3.63408826      2.74568848     -2.45364948
  H     -2.78643085      4.98127363      1.44570882
  O     -5.49740358     -2.15759187     -1.68658319
  H      1.52555373      1.16130576      0.56789131
  H     -3.97118517      5.96499683      1.56224696
  O     -2.23814105      1.57430246      2.85271535
  H      0.87734613      0.10671716      1.49454530
  H     -6.63552977      0.61963528     -0.83688224
  O     -1.85833085      1.78951968      0.09354911
  H     -0.27753101      0.59277407     -3.48273923
  H     -8.02986466      0.32523691     -1.42983952
  O     -3.75313989      5.05951961      1.35815100
  H      0.07597546      2.07694083     -3.61349064
  H     -3.97900111      2.26318943      2.91645275
  O     -7.09575897      0.22562891     -1.59655438
  H     -3.05871436     -1.31983892      2.00816958
  H     -4.56497812      3.54532400      2.32302997
  O     -4.81620562      2.68311704      2.67520299
  H     -2.35115711     -0.27148836      2.88957621
  H     -1.87302073      3.23392605     -3.55165991
  O     -1.00031569      3.66323169     -3.56950569
  H      0.63940163      2.20894321      2.58304634
  H     -1.04914137      4.35355589     -4.22589245
          69
 Energy    -250.31855639402093     
  O     -0.93544878     10.50884118     -0.23822691
  H     -1.76540749     10.74524073      0.19713752
  H     -4.36399106     13.34127015     -1.72099913
  O     -0.69103166     13.11359998      2.17790747
  H     -0.45591713     11.34555616     -0.35011240
  H      0.52869633      6.70001482     -3.36749416
  O      0.36065941     15.22906103     -1.82315696
  H     -0.23029210     12.48986017      2.75072593
  H      1.06510482      7.40844352     -2.10008133
  O     -2.09921546     15.73423773     -0.79583734
  H     -0.25256047     13.06104995      1.31413385
  H     -1.13232698     13.00726906     -3.70672716
  O      3.56016430     10.17742324      0.69050544
  H     -0.55235112     15.49024009     -1.61931380
  H     -1.41107256     11.56999311     -3.24813601
  O      1.70989299      7.30907847     -0.47388781
  H      0.39755734     14.89354473     -2.72489338
  H      2.42574216      8.52526085     -3.41531726
  O      4.38226752      8.18976517     -1.07866233
  H     -2.64412165     14.94423715     -0.90491842
  H      2.92503845      9.98195985     -3.49969839
  O     -0.31219903     10.09757173     -2.85106847
  H     -1.87685571     15.79986210      0.14092829
  H      2.89802528     15.01986708      0.84876802
  O      0.44426794     12.86800076     -0.33200110
  H      2.66778374      9.86570318      0.90335925
  H      4.43492745     15.01062329      1.00266945
  O      1.51223597     16.01605487      0.58425636
  H      3.97558967      9.49433426      0.15026692
  H      1.18216132     11.13880972     -3.11236503
  O      0.98147223      9.36964382      1.37068028
  H      2.65459450      7.48233069     -0.57242780
  H      2.39895569     11.94254434     -2.52812467
  O     -3.48738046     13.32368842     -1.34389514
  H      1.40599940      7.87230107      0.24850659
  H      0.74957492     14.06683877     -5.17285317
  O      0.82367837      7.54296988     -3.03426786
  H      5.18097655      7.70715651     -1.27257711
  H      1.10529891     13.09538577     -4.02499170
  O     -1.80763803     12.44901451     -3.30562530
  H      4.04670256      8.53366981     -1.92614302
  H     -0.96888374     14.86187044      2.11309502
  O      3.22001369      9.07316149     -3.36913478
  H     -0.59490245     10.13296104     -1.92407260
  H     -1.42048298     16.23108356      2.67083308
  O      3.67586585     14.43870524      0.92358945
  H     -0.02867373      9.19111976     -3.01703745
  H      1.76578638     11.61983183      3.29641742
  O      1.96239368     11.66481202     -3.34661280
  H      1.37602602     12.64228885     -0.44355031
  H      0.96895107     11.02670551      4.48416407
  O      0.52513805     13.83387337     -4.27557116
  H      0.30130242     13.66905302     -0.85153221
  H      3.33215572     11.58467993     -0.39515092
  O     -1.05891320     15.80556309      1.89748604
  H      1.21530094     15.86147379     -0.32443635
  H      3.41268809     13.13726931     -0.39115283
  O      0.91062712     11.22904283      3.55401390
  H      0.70810296     16.05965304      1.11299111
  H      3.39841392     13.00813043      2.15586941
  O      3.11030164     12.37731050     -0.90495103
  H      0.26944813      9.69412492      0.79890629
  H      3.55975585     11.47784713      2.04867330
  O      3.26957335     12.18470896      2.64143271
  H      0.89955955      9.85932692      2.19723661
  H     -3.22498704     12.36124905      0.25953936
  O     -2.99355645     11.80689874      1.01726017
  H     -2.89479308     12.99683481     -2.04356159
  H     -2.34256111     12.30511135      1.52763501
          69
 Energy    -250.31754551931724     
  O     17.84230052     10.66528263    -11.11451047
  H     17.03990103     10.31270526    -10.69002988
  H     17.63047771      0.80364830    -16.00944467
  O     17.68527050      6.89751613    -14.94558494
  H     18.08698291     11.44917018    -10.63031359
  H     17.21588781      3.31707619    -15.33588078
  O     14.19070186      3.71526036    -11.71681372
  H     17.01651467      7.09131513    -14.27073137
  H     16.19283842      4.48186739    -15.37987641
  O     13.70289322      1.39167251    -13.19468507
  H     17.68010809      5.93722627    -15.05194735
  H     12.80060546      6.21300089    -13.16198290
  O     15.42912258      7.61421518    -16.53771164
  H     13.91462340      2.87991991    -12.11512403
  H     13.60840806      4.90125373    -12.94565409
  O     14.85552604     10.02478618    -14.96979814
  H     15.15134062      3.76779042    -11.82769482
  H     14.98207872      6.55587513    -13.27136059
  O     19.58868919      8.73965022    -14.43433469
  H     13.02467712      0.72222570    -13.22116872
  H     15.28788195      7.96869432    -12.74377386
  O     13.35973788      5.92294428    -10.15402777
  H     13.83586630      1.69313324    -14.11147939
  H     19.57253596      8.40062506    -12.53547984
  O     16.56306344      1.12167818    -12.97773106
  H     15.11859508      8.39168292    -16.06020945
  H     18.90494773      9.11094927    -11.35179203
  O     17.31894897     10.38773141    -13.89455879
  H     16.30963015      7.43958291    -16.18105754
  H     14.13964183      9.61160372    -13.29319342
  O     14.29280850      2.21601386    -15.72005967
  H     15.75356414     10.17778301    -14.62137322
  H     13.25498122      8.75988727    -12.31168129
  O     17.07614368      1.47717276    -15.62595686
  H     14.63590368     10.78992995    -15.49585983
  H     14.78644557      5.89334811    -16.35695854
  O     17.06245041      4.22191195    -15.03968811
  H     18.97688673      8.02532516    -14.68777180
  H     14.04101475      5.19997746    -15.19900839
  O     13.41109087      5.59936241    -13.58689351
  H     20.29640797      8.73689126    -15.07283797
  H     12.45194253      6.91691435    -11.23799347
  O     15.70426133      7.14079220    -13.01107276
  H     14.15023535      6.26643414     -9.72015515
  H     11.09297130      7.49797611    -11.70541443
  O     19.34576617      8.28935155    -11.60446881
  H     13.61203733      5.07946554    -10.55284484
  H     16.84983021      6.59029130    -11.77373372
  O     14.04383113      9.31380810    -12.37884459
  H     15.59969936      1.07501088    -12.93664125
  H     18.25560565      6.91963893    -11.21710204
  O     14.56507325      5.02402686    -15.99497528
  H     16.80261989      1.96427260    -12.56823628
  H     14.96432087      9.57568106    -10.82109660
  O     12.01050973      7.41712591    -11.95045300
  H     17.44187458     10.56688781    -12.95390292
  H     15.59213649      8.73455187     -9.67780358
  O     17.50707616      6.31412076    -11.11551755
  H     18.11823308      9.92489455    -14.17209071
  H     16.14589320      6.72000391     -8.21296437
  O     15.58913154      9.60904754    -10.08284577
  H     14.27935819      3.14930660    -15.96919195
  H     16.45974175      6.66172937     -9.72563000
  O     15.78851527      6.92526675     -9.07355073
  H     15.19873402      1.91382714    -15.86031537
  H     16.99969515      4.02632040    -13.19935855
  O     16.91748674      3.83580826    -12.25385328
  H     16.96518234      1.25206033    -14.68453149
  H     17.28171018      4.59266053    -11.77761616
          69
 Energy    -250.31580327832296     
  O     12.27240184     12.07322320    -15.15962879
  H     12.95278410     12.57457896    -14.69354640
  H     17.29170847     11.84421700    -14.64930647
  O     15.15131457      6.58738559    -13.56329445
  H     11.77806873     11.57621340    -14.49583265
  H     15.02396435      8.37025112    -14.05053239
  O     16.97003283     10.05545993    -11.13182252
  H     14.36756576      6.65490295    -12.99981398
  H     16.04860807      9.23398676    -14.80624844
  O     12.87722477      7.58084279    -16.54844216
  H     15.92747402      6.81179287    -13.02983505
  H      9.83261585     10.48414459    -13.36724275
  O     13.58685772      8.85326861     -8.84407252
  H     16.81242644      9.88255542    -10.19585957
  H     10.95505158      9.48918798    -13.74251556
  O     12.97044297      7.06552047    -11.97860432
  H     16.17446468     10.49047097    -11.47319592
  H     16.83746121      6.76784838    -10.49613239
  O     14.74897700     11.10109241    -12.36040636
  H     13.08368587      8.50961650    -16.72062281
  H     16.48066616      7.47900819     -9.17783564
  O     17.26100773      8.50365786    -16.20217204
  H     13.72237174      7.11985427    -16.55864330
  H     11.85282880      7.70423948    -15.04333751
  O     13.75802407      6.05270500     -9.49262538
  H     13.50673148      7.89816024     -8.95593857
  H     11.84049827      7.40474797    -13.51843175
  O     19.14797438      8.14395856    -14.27232290
  H     13.14258103      9.24959632     -9.60569113
  H     18.73516341      9.98738957    -13.77703993
  O     15.48554337      6.31493652    -16.25082655
  H     12.85641437      8.00113937    -11.75703282
  H     17.94925864     10.66327072    -12.64639530
  O     16.67600241     12.33293415    -15.21607239
  H     13.13587098      6.60748501    -11.14506675
  H     17.19826262      8.38548570    -11.82514833
  O     15.20494699      9.27232093    -14.34146737
  H     14.64972706     11.97386489    -12.75842193
  H     18.06846789      7.58684708    -12.82161926
  O     10.78013538     10.37480502    -13.37289669
  H     14.91156509     10.48359072    -13.09173264
  H     16.43471782      9.60774938     -7.65954895
  O     16.40926113      6.63461577     -9.64120152
  H     16.66242302      7.75849577    -16.35108727
  H     15.27820701      9.19855476     -8.60347432
  O     11.38351488      7.88631928    -14.21695235
  H     17.00370673      9.21981908    -16.79712405
  H     15.29546554     10.58734380    -17.32208995
  O     18.28840527     10.80667488    -13.53929364
  H     14.72268992      6.17492925     -9.55249772
  H     16.21566718     11.05510288    -18.47580880
  O     17.36649909      7.49409655    -12.16680795
  H     13.61027678      5.26907624     -8.97052843
  H     11.86857670     10.02246191    -11.89373107
  O     16.24708160      9.27515562     -8.53294710
  H     18.54341759      8.23951044    -15.02886335
  H     13.36043753     10.28074730    -11.60540879
  O     16.22480097     10.70094857    -17.59060129
  H     19.99374254      7.88029891    -14.62533388
  H     15.30593314     13.04914493    -14.43849725
  O     12.59385600      9.76749551    -11.31041242
  H     15.56670539      5.40846085    -16.53717403
  H     14.66097363     14.31512318    -13.82526409
  O     14.53494881     13.37722404    -13.93925171
  H     15.35039556      6.29406894    -15.28663398
  H     13.16684296     10.93064924    -16.19312751
  O     13.77440402     10.24903814    -16.51435543
  H     16.62320505     11.85819210    -16.05094395
  H     14.19092087      9.87847758    -15.72148767
          69
 Energy    -250.31546101555341     
  O     11.91249979     11.81723406    -13.83522402
  H     12.03193828     11.90680592    -12.88307106
  H     18.11306107     13.32805051    -15.13636744
  O     20.13289002      9.37735963    -11.52330049
  H     11.87337151     10.87266732    -14.03392135
  H     14.85627741      8.88623852    -15.89670749
  O     16.71585042     11.51961971    -11.15934491
  H     19.93622944     10.23022104    -11.93348558
  H     13.34493209      9.21052481    -15.85953145
  O     12.85111134      7.54295355    -12.64785819
  H     20.16453342      8.73834118    -12.24482565
  H     15.48683465      9.89865090    -13.75199500
  O     17.15288491      7.12312588    -12.53772424
  H     16.21125141     12.25881631    -10.80788715
  H     14.86472150     11.33028917    -13.75854395
  O     14.89090007      5.84608018    -11.48934154
  H     16.20536373     11.19814016    -11.92078431
  H     14.77192102     11.82290500    -18.16790840
  O     14.28447679     12.74046957    -14.79433956
  H     13.48537164      6.86482169    -12.39535188
  H     14.70670473     10.77962980    -17.02614804
  O     18.69609917      9.87341211    -14.90884428
  H     12.97639477      8.26503457    -12.01488787
  H     16.03341283      8.20958374     -9.77165155
  O     17.59977057      8.97408703    -10.48716363
  H     17.27428949      7.77964918    -11.83512689
  H     14.55580034      8.56524095    -10.03937186
  O     17.70562291     12.12139845    -16.31700433
  H     16.43194643      6.54697904    -12.25581837
  H     15.25475153     13.87011803    -13.79711699
  O     19.65134451      7.50153647    -13.68681215
  H     14.94261351      6.50331953    -10.77007147
  H     16.72138475     14.26654262    -13.53027146
  O     18.37779361     13.91239165    -14.40243885
  H     14.71010313      5.00437818    -11.07973191
  H     15.12657190     14.44601041    -10.12588921
  O     14.13569333      9.28086345    -16.40750076
  H     14.47186790     12.46182187    -15.69804669
  H     15.25698511     13.99632815    -11.60144710
  O     15.15733629     10.60875786    -13.18795430
  H     13.36917718     12.50455149    -14.57793083
  H     13.33305365     12.84077352    -10.90698874
  O     15.05114044     11.65763191    -17.27152876
  H     18.78338642     10.48725954    -14.16406598
  H     11.84146642     12.83069414    -10.51408845
  O     15.13281846      7.86556562     -9.70341596
  H     19.16149062      9.06880055    -14.65006829
  H     18.90967152     12.50753189    -13.27771762
  O     15.83043936     14.33250140    -13.16954573
  H     17.24736159      9.86840384    -10.59517963
  H     18.23722136     11.67947386    -12.16272328
  O     14.93499031     13.72550569    -10.72047306
  H     18.54779011      9.04261552    -10.66914235
  H     11.06699679      8.69344243    -14.97238705
  O     12.50389385     12.34592524    -11.00137153
  H     16.83281562     11.93950659    -16.68448619
  H     12.22768187      8.46283815    -13.98040610
  O     18.97751166     11.67985431    -12.78585546
  H     18.07223372     11.27715158    -16.02408327
  H     14.11966467      9.98477182    -11.85378386
  O     11.88943837      9.06692920    -14.66447999
  H     20.09947712      6.69337989    -13.92337636
  H     13.07767971     10.54668276    -10.87899402
  O     13.55770292      9.74221569    -11.10143059
  H     18.79645206      7.24493998    -13.30262467
  H     17.07143014      9.06309741    -14.91943531
  O     16.24877401      8.58751393    -14.73555984
  H     18.93640646     14.58744168    -14.77864507
  H     16.45156121      7.97445171    -14.01772650
          69
 Energy    -250.31544115465260     
  O     16.00157972      3.43279697     -9.42765186
  H     15.58260025      3.97522344     -8.74869272
  H     13.48246434      7.18129479    -15.48154555
  O     18.65005789      8.98641311    -11.90073323
  H     15.29218807      3.20292237    -10.04283953
  H     14.57549744      5.03302788    -11.34781679
  O     13.31696670      7.82298336    -12.44113603
  H     18.53156023      8.54626113    -12.75021311
  H     15.75429150      5.73163547    -12.06202546
  O     16.62787577     10.74142586    -11.60323462
  H     18.71006196      8.28339475    -11.23626824
  H     17.47402857      3.89064165    -10.26949242
  O     15.91446709      7.10143139     -9.16798249
  H     12.84458190      8.21146263    -11.69730626
  H     18.92961863      3.49310196    -10.60167908
  O     18.55704865      6.92218455    -10.07251791
  H     13.88990022      7.13131647    -12.07241379
  H     11.70223118      9.43977069     -9.73440765
  O     11.66229827      4.39125102    -13.81889455
  H     17.39882988     10.14597402    -11.64923549
  H     13.21848114      9.14224925     -9.83866665
  O     14.53262590      5.17270627     -7.67132028
  H     16.97077919     11.63065913    -11.57978684
  H     11.97858649      5.53309191     -9.82105652
  O     14.59414933      8.40632569    -16.25951561
  H     15.60252999      6.71109641     -9.99832811
  H     12.34800807      6.97324928     -9.39039835
  O     16.77029801      6.53043315    -16.68811115
  H     15.55374203      6.53898779     -8.47323860
  H     15.77127543      9.87270935    -13.01464924
  O     17.64342893      7.66805202    -14.21741552
  H     17.70531264      7.05357580     -9.63346540
  H     14.65837522      8.81548392    -13.21188604
  O     13.13211365      6.53540172    -14.85230116
  H     18.59305254      5.98091038    -10.27209085
  H     15.44317891     10.06322217    -10.28539408
  O     14.98027490      5.89407721    -11.50749982
  H     12.02467211      5.16357604    -14.27414794
  H     15.30309717      8.80932794     -9.39226149
  O     18.25895782      4.14540688    -10.78632211
  H     12.28978766      3.67787502    -13.98378784
  H     10.45070935      3.93127898    -10.95429547
  O     12.32978348      8.77264060     -9.99785248
  H     13.74272527      5.45850992     -8.16551743
  H     11.35569386      4.44382662    -12.09530402
  O     12.41006994      6.04657879     -9.12811166
  H     14.26410669      5.06728075     -6.76275892
  H     17.47663603      6.06293175    -13.37108839
  O     15.40667674      9.24381998    -13.64980092
  H     14.88024386      8.86909319    -15.45986545
  H     17.63707753      4.84050538    -12.37940855
  O     14.85704918      9.62665362     -9.65692455
  H     15.35954405      7.90289120    -16.55969406
  H     12.98603989      3.52463319    -11.13082613
  O     11.29517432      4.33941989    -11.12931825
  H     16.26393964      5.82291762    -16.25853128
  H     13.95680959      2.96546224    -12.20258433
  O     17.11369276      5.20597461    -13.10351916
  H     17.13075329      6.16147046    -17.49076590
  H     14.43843856      3.28335672    -14.50344353
  O     13.90758784      3.28461691    -11.29272312
  H     16.86262819      8.20511129    -14.01134329
  H     14.04140382      1.79026136    -14.54217972
  O     13.91151890      2.60076690    -14.05625918
  H     17.53212727      7.37042545    -15.12755589
  H     15.92229743      4.87077297    -14.37578227
  O     15.27687637      4.76278234    -15.09248164
  H     13.07861135      6.99616079    -14.00168404
  H     14.54929648      5.38965091    -14.95566205
          69
 Energy    -250.31526760288810     
  O     19.11512197     10.92126624    -16.12884167
  H     18.66711170     10.12179294    -15.80741476
  H     18.24226013      6.86862463    -17.74897975
  O     15.96939579      5.66926262    -15.58640450
  H     19.57298156     11.29515897    -15.36776741
  H     18.17728134      5.73721125    -13.22289462
  O     15.89306100     12.86756564    -10.63415330
  H     16.29347712      5.56816236    -14.68489809
  H     17.31064785      4.63701654    -12.57921520
  O     19.66952396      8.97499806    -12.92525932
  H     16.76296201      5.79015397    -16.12910374
  H     17.04407105      8.73762105    -14.89180249
  O     18.28176842      8.05155199    -19.15555888
  H     16.57171490     12.74222357    -11.31120463
  H     18.05609219      7.86318363    -15.68728472
  O     14.20580829      9.58753690    -10.64240466
  H     15.05248095     12.69833211    -11.07821892
  H     16.00234254     11.73753571    -16.03314271
  O     15.31330162      8.99925196    -14.41202297
  H     19.09431075      9.10968770    -12.15849395
  H     17.38044031     11.49802502    -16.68689967
  O     17.64892751     11.87868098    -12.61489256
  H     19.08754621      8.80418614    -13.68461473
  H     15.58181182      8.16105492    -12.89829492
  O     19.85251055      6.24101630    -13.54946625
  H     17.46297014      8.48953997    -18.85525672
  H     16.28248643      6.91784611    -12.29392351
  O     14.28351306      7.55758455    -16.54140257
  H     18.20868389      7.95337203    -20.10042897
  H     15.38804049      8.61967815    -17.70725134
  O     20.96889572      6.61300187    -16.17278232
  H     14.63174867      8.83396075    -11.07037528
  H     16.10264270      9.99869224    -17.77485280
  O     18.27186755      6.39111839    -16.90879120
  H     14.81873681      9.88269477     -9.95766821
  H     16.14150927     11.57015959     -9.47645853
  O     17.26188824      5.48755730    -13.00967416
  H     15.24412644      9.96262055    -14.43515844
  H     16.33789660     10.96896298     -8.06282321
  O     17.98138477      8.61591068    -15.09043389
  H     14.82356107      8.62159729    -15.15302196
  H     17.34323597      9.87720768    -10.25115928
  O     16.43157906     11.51631144    -16.86786840
  H     18.54188020     11.96561624    -12.96559931
  H     17.05523444      8.87214124    -11.39717733
  O     15.83195611      7.73806392    -12.06113052
  H     17.63407307     11.05045026    -12.11344745
  H     12.66949441     12.06056405    -11.93557453
  O     16.03162591      9.13342572    -18.20546818
  H     20.28269965      6.28649498    -14.41163169
  H     13.74818153     11.01240210    -11.57529035
  O     16.26339166     10.73811509     -8.98437562
  H     19.95979007      7.12324146    -13.17010891
  H     19.81097642      8.67861002    -18.21025218
  O     17.69805628      9.52137473    -11.07436901
  H     13.44361747      7.18546778    -16.79529323
  H     20.16184589      9.71075292    -17.12929207
  O     13.59676759     11.85979740    -12.03057543
  H     14.83218822      6.82168151    -16.21233023
  H     14.67026845     11.88201580    -13.56911045
  O     20.48750304      8.91058577    -17.56072414
  H     21.78404327      6.22985375    -16.48615984
  H     16.20678920     11.85119821    -13.73345999
  O     15.37363683     11.75274620    -14.21780238
  H     20.87746049      7.47341799    -16.62073050
  H     20.21900910     10.63222152    -13.35051890
  O     20.28976166     11.56516952    -13.61735955
  H     19.20413626      6.27596454    -16.68734861
  H     21.16080020     11.86054067    -13.36572447
          69
 Energy    -250.31431389985997     
  O     13.99806328      9.84629427    -15.44128271
  H     13.30286087      9.21948440    -15.66980339
  H     17.58376161      2.63792509    -17.84595625
  O     14.96800001      3.69684636    -16.41870088
  H     14.56980364      9.92274026    -16.21957054
  H     19.81401939      5.91346619    -15.11621439
  O     17.23876181      7.62085236    -12.03209604
  H     14.83267968      3.72625754    -15.46303308
  H     20.22840387      7.27689270    -14.52988519
  O     20.02442858      7.39174259    -17.70191031
  H     14.58695865      4.51439063    -16.76815778
  H     17.47322040      8.18821758    -16.07019596
  O     17.72708764      6.05240280    -18.74956689
  H     17.99906170      8.00607850    -12.48208389
  H     18.78251890      8.51128580    -16.83255030
  O     13.21169111      6.04479476    -10.75606162
  H     16.45173038      7.95348977    -12.49502978
  H     15.64747643      6.64526895    -16.13826698
  O     14.66914647      4.10573488    -13.62979378
  H     20.82411908      7.59743681    -18.17856936
  H     15.93202865      7.37176585    -14.79934457
  O     15.07592441      8.31241533    -13.49404876
  H     20.29438228      7.07075032    -16.82311771
  H     11.23772093      7.62560063    -15.82924487
  O     18.27981138      4.94354883    -15.22882727
  H     17.66275084      5.17022237    -18.36458368
  H     12.40276408      7.16391032    -14.92566393
  O     13.82613066      3.24591777    -11.06213667
  H     18.54523210      6.44420811    -18.42143914
  H     16.15596074      4.94769454     -9.85818310
  O     19.23662086      8.77797695    -13.69605226
  H     14.03576514      6.38042280    -10.38377539
  H     16.73591781      4.17229498    -11.04464578
  O     17.44042299      3.50241142    -17.47138875
  H     13.30132399      5.08297550    -10.76820139
  H     13.45756868      6.74651493    -16.83889536
  O     20.50475056      6.59268125    -15.14946299
  H     15.55231345      4.39409566    -13.35916407
  H     14.51515003      6.72485059    -17.99706680
  O     18.12332648      8.88946961    -16.23726384
  H     14.28343788      3.67627126    -12.85580757
  H     17.26130773      5.81141508    -12.48093012
  O     16.35166150      6.89544625    -15.52721427
  H     14.75465530      8.99658601    -14.10163868
  H     17.71170427      4.75031406    -13.51986088
  O     12.18933956      7.58754947    -15.77491137
  H     14.35475060      7.68061852    -13.37568461
  H     16.38159228      7.17861288    -10.49094099
  O     16.26913771      4.05396036    -10.20469626
  H     18.13380180      4.32280646    -15.95175478
  H     15.96844278      7.45348057     -9.03097395
  O     14.20145276      6.25719374    -17.21195683
  H     17.60726228      5.63626185    -15.33297553
  H     16.34551078      7.01746121    -19.13801630
  O     17.21185733      4.87183389    -12.70182032
  H     13.50978542      2.45329996    -10.63776051
  H     15.42075497      7.59786504    -20.23496193
  O     15.82950623      6.85479207     -9.76120039
  H     14.70686858      3.43385765    -10.68964371
  H     13.58801021      5.59897211    -13.66755529
  O     15.54122124      7.54652711    -19.29058161
  H     19.69659221      9.58677639    -13.48171840
  H     12.94435943      6.37227089    -12.49961957
  O     13.06425060      6.38555481    -13.46088215
  H     18.82509025      8.91901907    -14.56512782
  H     15.69125237      9.13212964    -18.21541657
  O     15.78484325      9.84863778    -17.57646784
  H     16.53239267      3.50865063    -17.11541598
  H     16.65143392      9.72302254    -17.17087823
          69
 Energy    -250.31381845664956     
  O     -2.17246544      5.17028045     -3.22002729
  H     -1.25679080      4.99722620     -3.47511930
  H     -1.60308765      0.48081764      3.07631015
  O      2.51090021      1.79177886      4.63774174
  H     -2.12881013      5.76639726     -2.46290748
  H      0.64556921      4.88112677     -1.82672902
  O     -1.26511981      2.87500183     -0.34197554
  H      2.87662913      1.93108904      5.50666759
  H     -0.13355269      4.22910135     -0.66221420
  O      0.45252138      1.80940015     -3.47371744
  H      2.19542253      0.87044066      4.60741489
  H     -2.91086632      3.62917051     -2.77381662
  O      0.22696660     -1.07296458      0.65771482
  H     -1.66706897      2.99466643      0.52636254
  H     -3.97984980      2.90675715     -1.88154450
  O      0.57932540      2.85241778      2.87873837
  H     -1.96654300      2.80839730     -1.00079179
  H     -2.08029972     -0.30296582     -1.67522031
  O      0.57422774      4.49862935     -3.65139044
  H     -0.37067227      1.32471056     -3.60946130
  H     -1.42739149     -0.86470990     -0.38786291
  O     -3.68840953      5.08175465      0.68692275
  H      0.76601150      1.53032974     -2.60221644
  H     -1.16034119      3.41841077      2.60544763
  O      3.66810311      1.28284438      2.05040069
  H     -0.17538824     -0.63426167      1.42317903
  H     -2.55676614      2.74666468      2.71168270
  O      1.55493909     -0.71954871      4.23231029
  H      1.11476480     -1.32390305      0.94198387
  H     -4.00478741      0.90953622      3.87639629
  O     -1.73824668      6.62209429     -0.76326649
  H      1.19938176      2.62895608      3.58429317
  H     -3.67326494      0.96611036      2.36111156
  O     -0.67169115      0.31662002      2.88722364
  H      1.11109800      3.00355220      2.08535647
  H     -2.53561086      1.30899964     -3.12776191
  O      0.47338934      4.95615535     -0.87828270
  H      0.54215013      3.52451660     -3.63702331
  H     -2.61749231      0.12640978     -4.12148406
  O     -3.18883404      2.77104758     -2.41761881
  H      1.15991558      4.74220136     -4.36283090
  H     -3.52102550      0.33254349      0.18078422
  O     -2.25635323     -0.54109951     -0.75808501
  H     -3.15631085      4.64329787      1.36589671
  H     -4.52343740      1.53373880      0.25343631
  O     -2.07710181      3.47985019      2.30441650
  H     -3.08317122      5.65299229      0.20020823
  H     -6.09925429      3.41708906     -0.53604370
  O     -3.31999926      1.13824085      3.25535730
  H      3.43123917      1.51989677      2.95543138
  H     -4.69922804      3.89817193     -0.08276572
  O     -2.06991835      0.51428658     -3.44338171
  H      3.32684842      1.99684899      1.49711050
  H      1.81823440      3.95869139      0.13739678
  O     -4.14239551      0.80610549      0.75460381
  H      0.67834895     -0.49225560      3.89079149
  H      1.81788427      2.42064519      0.05834406
  O     -5.17639823      3.17851618     -0.53450926
  H      2.03200867     -1.08902763      3.47897484
  H      0.04169882      1.70421550     -0.64408577
  O      2.15951731      3.17016217      0.57322967
  H     -1.53765889      7.54164110     -0.60551068
  H      0.72307015      0.34442509     -0.35927013
  O      0.85485173      1.19531190     -0.79406972
  H     -0.89515249      6.14197794     -0.72086234
  H      3.59634097     -1.85941048      1.52014541
  O      2.84624411     -1.30947929      1.73081166
  H     -0.24396333      1.18157228      2.82152278
  H      3.17595647     -0.39426265      1.77146634
          69
 Energy    -250.31262847430216     
  O     11.78217091      9.54473596    -15.91281503
  H     11.32306469      9.10321153    -15.18955732
  H     16.41219474      5.77285061    -14.40660572
  O     16.10454907      6.83293007    -12.89116179
  H     12.43489025      8.91424361    -16.24951753
  H     18.88416104     10.19862990    -12.29534536
  O     15.62395514     10.89260068    -11.09010290
  H     15.84290442      7.53324077    -13.51087148
  H     19.30533592      9.01751611    -13.18455287
  O     17.36009221     10.74790529    -14.99454608
  H     16.55896095      7.28059736    -12.16771215
  H     14.72010497     11.44531529    -16.62536650
  O     13.64194804      5.17504434    -15.94323232
  H     15.03118297     10.94588625    -11.85439252
  H     16.22407656     11.17916525    -16.38341253
  O     13.83046328      9.79088444     -9.31570098
  H     15.06125043     10.66021121    -10.33801754
  H     16.03562207      9.43857973    -14.80086136
  O     13.75638077      6.64313536    -11.47370456
  H     18.13411556     10.17887102    -15.10510431
  H     14.84717476      8.53190182    -15.29796288
  O     13.88592421     10.75370846    -13.21368640
  H     17.47694194     11.21263182    -14.15718205
  H     11.10285578      8.55954958    -12.90766612
  O     17.78144556      7.47000472    -16.65573224
  H     13.13240030      5.37862014    -15.13824086
  H      9.67357456      8.23953659    -13.39931804
  O     15.20431505      7.26507508     -9.10025278
  H     13.25504909      4.39011812    -16.32152529
  H     12.69534370      5.99072789    -12.89204242
  O     19.43533225      8.88306566    -15.10078456
  H     14.21120200      8.93739264     -9.07464643
  H     11.60874015      6.60425249    -13.79501699
  O     16.42788224      5.46420967    -15.32270559
  H     13.14282964      9.59731895     -9.96504077
  H     17.06729357     11.57296774    -11.86550704
  O     19.18217283      9.28093213    -12.26438436
  H     14.54577448      6.62850505    -12.03675011
  H     18.10630292     12.68948696    -12.11041214
  O     15.53320084     11.16425712    -17.06062195
  H     14.09026979      6.69120099    -10.57094355
  H     17.90307253      8.61817339    -11.19766518
  O     15.31468255      8.86060691    -14.51921031
  H     14.36257159     10.02503821    -13.64353773
  H     16.52733220      9.25426827    -10.90494553
  O     10.59064013      8.22421667    -13.66250068
  H     13.57687553     11.31589617    -13.93221203
  H     15.74590210      9.68702546    -17.96139923
  O     12.24071745      5.87815337    -13.73652908
  H     17.32447790      6.72044893    -16.24516832
  H     15.98151503      8.94054787    -19.29682374
  O     17.82768335     11.82924902    -12.41427927
  H     17.16876862      7.87149022    -17.27970467
  H     12.81837001      9.68290913    -12.20205352
  O     17.04359346      8.44548397    -10.78539537
  H     15.94635493      7.61579292     -9.62216905
  H     12.83672268      8.22609416    -11.63148775
  O     15.85969183      8.80535390    -18.36105509
  H     15.58661669      6.79405983     -8.36421033
  H     12.57012548     11.07116294    -15.79228234
  O     12.31440360      9.04098566    -11.68028098
  H     18.87455394      8.30834825    -15.65432457
  H     12.55488081     12.61071463    -15.95456241
  O     13.09878803     11.88174497    -15.66875518
  H     20.30727383      8.86201172    -15.48585794
  H     13.80881864      6.90259842    -16.55175254
  O     13.85519496      7.85818407    -16.68385574
  H     15.51237057      5.25849670    -15.54344513
  H     14.48959066      8.04820272    -17.38694331
          69
 Energy    -250.31194674872665     
  O     15.92496468     10.41119861    -11.18736360
  H     15.53198356      9.68175530    -11.68729220
  H     12.86059941      8.76079635     -9.47862840
  O     16.59656483      5.25682326     -6.65085694
  H     16.86895829     10.41125386    -11.39440246
  H     12.44167891      7.87749621     -5.75971129
  O     14.78627328     12.77911418    -10.50104542
  H     17.05528387      4.67257129     -6.05427385
  H     13.08639988      8.25589552     -7.11234479
  O     13.96406156      5.36863833     -7.75667605
  H     16.43124939      6.08662093     -6.16568082
  H     18.19258763      7.18886608    -13.36368875
  O     15.15998911      8.23857420    -12.68435349
  H     15.14297250     11.92558800    -10.80447235
  H     17.63147539      6.10450063    -12.43048023
  O     18.60410838     10.13844258    -11.82806677
  H     14.33459244     13.17063366    -11.24386222
  H     17.07649432      6.03661095     -8.25232528
  O     19.47731667     12.14248224    -10.09622656
  H     13.62481293      6.11055945     -7.24200960
  H     16.63606464      7.36257287     -8.93946180
  O     19.19641546      7.81956907    -10.43633331
  H     14.84225292      5.18676280     -7.40115916
  H     15.22272662     12.13508544     -7.01937322
  O     13.44168476      5.17067968    -10.41202770
  H     15.84294892      8.44431833    -13.33416470
  H     15.85476939     12.89869023     -5.83048608
  O     13.82459503     11.80785728     -8.00568297
  H     15.44014934      7.41588458    -12.25471129
  H     17.87137962      9.26789726    -14.91593679
  O     12.77581406      7.88056246    -11.07150166
  H     18.82413791      9.33838309    -11.32539195
  H     17.98806301      9.41685010    -13.38294685
  O     13.17024189      9.12974682     -8.64031484
  H     18.98990942     10.88494807    -11.35263729
  H     15.97621645      9.53004671     -9.58424085
  O     13.20715800      7.72379900     -6.30766332
  H     20.15788085     12.80999208    -10.08118811
  H     16.37236315      9.32192274     -8.07759695
  O     18.45640939      6.48565300    -12.75941052
  H     18.67451270     12.54962915     -9.72374287
  H     16.40270530     13.18216703     -9.58532955
  O     17.16545933      6.55828277     -9.05742919
  H     18.56725656      7.37294710     -9.85148992
  H     16.92079479     12.94962050     -8.15716565
  O     16.06565593     12.34435035     -6.57715186
  H     19.16008258      7.31203950    -11.26035101
  H     16.46669183      8.39941362     -5.79981242
  O     17.55972818      8.90627670    -14.08993055
  H     13.62105417      5.22668362     -9.45640909
  H     15.04678934      7.76945052     -5.70957900
  O     15.87498288      8.95042569     -8.81889011
  H     12.87860458      4.41175501    -10.53980124
  H     16.42560431      6.04961004    -10.61487138
  O     17.20697929     13.16783625     -9.05246430
  H     14.01862907     12.20463482     -8.86444232
  H     15.11194581      5.50551340    -11.20641263
  O     15.97832297      7.61767045     -5.50858190
  H     13.46329139     10.93214353     -8.19292707
  H     19.54908108     10.63564183     -8.89487027
  O     15.96920487      5.87475271    -11.45157077
  H     12.90604243      6.94534226    -10.86656065
  H     19.52642629      9.10089001     -8.99467899
  O     19.44684726      9.83254408     -8.37097700
  H     13.43264910      8.08679269    -11.74635754
  H     16.98457133     10.73259421     -6.53184252
  O     17.30935667      9.82995661     -6.63999798
  H     14.13646302      9.03234664     -8.66057817
  H     18.13599017      9.85458004     -7.14679819
          69
 Energy    -250.31024172574564     
  O     -7.40765875     -3.29577562      5.46605898
  H     -6.62013149     -2.76051929      5.30306481
  H     -4.24670631      0.51880119      2.69201132
  O     -9.15812955     -2.42756006      2.33924789
  H     -8.11019119     -2.68671725      5.73443848
  H     -7.88965911      0.03282422      4.10360139
  O     -7.75272961     -4.66628861      3.18557949
  H     -8.76501939     -3.27743080      2.57655596
  H     -6.74793401     -0.91667202      3.65876980
  O     -4.77334098      0.57659208      0.92758315
  H     -8.57463315     -1.73909374      2.69735490
  H     -1.03882365      2.55940100      3.93760184
  O     -4.88724950      5.04589951      2.18828665
  H     -7.86197068     -5.59942922      3.34350420
  H     -2.47097654      3.13728632      4.05549316
  O     -9.68217804      0.99978635     -0.05390432
  H     -7.63748409     -4.24376071      4.05864865
  H     -8.79503263      3.44955956      3.71464332
  O     -9.41989021     -1.42708367      6.02359127
  H     -4.91666768     -0.28321494      0.51531281
  H    -10.04928304      3.94055864      4.47467132
  O     -5.30870471     -1.75912796      4.36396359
  H     -5.65445193      0.97294407      1.00339000
  H    -10.46253930      1.85362532      3.01190223
  O     -3.37794336      3.02690352      1.18119371
  H     -4.71083447      5.85113839      1.70921738
  H    -10.99356473      0.39724584      2.92000927
  O    -11.21716690     -1.28876771      3.73175506
  H     -4.36505507      4.34400461      1.75894015
  H     -5.48148716     -2.95538306      1.36519545
  O     -5.68361581     -1.86672992     -0.18898487
  H    -10.22426148      1.45935999     -0.68887575
  H     -6.14703757     -3.92487162      2.38175383
  O     -4.00265984      0.57457427      3.62701343
  H    -10.14487802      1.05206048      0.80268386
  H     -8.85671052     -0.70756175     -0.28561001
  O     -7.52510936     -0.43586708      3.34204919
  H     -9.04753382     -0.53690181      6.07410896
  H     -8.73445968     -1.95425151      0.60303072
  O     -1.92301565      2.47957649      3.59103788
  H    -10.10429888     -1.38047085      5.34679100
  H     -7.37948286      1.46967155      5.59069313
  O     -9.62298971      3.15829967      4.13270948
  H     -5.17609526     -2.37221079      3.62248292
  H     -8.84024204      1.80881142      5.20721452
  O    -10.79483200      1.18628961      2.40066359
  H     -4.70142263     -1.01926860      4.24119637
  H     -4.10727132      4.64929521      3.92656021
  O     -5.34523780     -3.41938621      2.19978520
  H     -2.74691883      2.82504610      1.88364728
  H     -4.41802113      3.61818626      5.02480255
  O     -8.38509166     -1.54380818     -0.19989188
  H     -3.78488413      2.18502775      0.93876180
  H     -6.26786558      2.75248358      4.30311424
  O     -8.27808861      1.11185558      5.56685371
  H    -10.56970595     -1.78034372      3.19734241
  H     -5.22040665      1.63228880      4.55424458
  O     -3.72464999      4.20364052      4.69251151
  H    -12.02346492     -1.79920773      3.72445805
  H     -8.08131566      1.37132042      0.77576989
  O     -5.79709377      2.27061083      4.99771842
  H     -5.42758786     -2.25841576     -1.02053394
  H     -7.41878965      0.75753712      2.04398156
  O     -7.33234900      1.45793701      1.37666742
  H     -6.64710189     -1.73366069     -0.23044750
  H     -7.23166988      2.93037951      2.32407257
  O     -7.19067811      3.66441217      2.95789603
  H     -3.19403809      1.09820026      3.67193911
  H     -6.47625477      4.24764136      2.67401963
          69
 Ord_Energy   -250.310089    
 O    2.19446397       8.38086414      -8.97004223    
 H    1.75125229       7.88487434      -9.67260838    
 H    2.42146850       7.73937893      -8.28561115    
 O    3.63288641       9.69368839      -12.9604664    
 H    3.17786694       10.2767286      -13.5814848    
 H    3.26915169       8.81133652      -13.1057682    
 O   0.291781574       9.20908260      -13.9520960    
 H   0.794452429       9.96043873      -14.2937746    
 H   0.918187737       8.48055840      -13.8459702    
 O   0.259619266       12.4305573      -8.36286354    
 H  -0.574466705       12.7938509      -8.68354893    
 H   0.945052505       12.7829504      -8.94160366    
 O   -1.79630625       7.20794821      -10.7722073    
 H   -1.81838250       8.00921059      -10.2253618    
 H   -2.06920481       7.49223948      -11.6557951    
 O   0.252548605       9.81741619      -7.47597551    
 H   0.294119716       10.7662287      -7.67057514    
 H   0.960116923       9.39412022      -7.98153782    
 O    1.98082769       11.3755207      -14.5908499    
 H    1.77424562       12.1010876      -13.9755163    
 H    2.22368264       11.7821341      -15.4185581    
 O   -3.76112604       11.2840281      -9.96214867    
 H   -3.12219214       10.6078787      -9.69049835    
 H   -3.86191702       11.1724482      -10.9144983    
 O   -1.27241290       12.6772261      -12.0220947    
 H  -0.739216506       11.9020834      -11.7815056    
 H   -1.55845535       13.0813560      -11.1924629    
 O    2.33644843       6.39352703      -6.97387218    
 H    2.83901215       6.20722628      -6.18597078    
 H    1.44512212       6.66325808      -6.68450451    
 O   -1.62687123       5.69570255      -8.47139454    
 H   -2.42525458       5.20320177      -8.29539776    
 H   -1.76702929       6.15271139      -9.31682587    
 O   -2.32578778       8.47445679      -13.1548328    
 H   -2.78117657       9.31868172      -13.0522985    
 H   -1.48654532       8.68289280      -13.5856256    
 O   -2.19093823       13.4456415      -9.47762775    
 H   -2.67091084       14.1736937      -9.09219170    
 H   -2.82181859       12.7090397      -9.56894112    
 O    2.81098056       10.5711403      -10.5179462    
 H    2.75049019       9.82565022      -9.90641594    
 H    3.21498060       10.2594538      -11.3421326    
 O    2.37630606       13.2168417      -10.1717768    
 H    2.62495542       12.2786379      -10.2550173    
 H    3.14040494       13.6727276      -9.82687950    
 O   -1.64089060       9.57510662      -9.45883179    
 H   -1.05731392       9.88324928      -10.1696301    
 H   -1.11663473       9.63389301      -8.65065098    
 O    1.32948864       13.3446093      -12.8351088    
 H    1.73517728       13.4066515      -11.9617014    
 H   0.377852559       13.2998590      -12.6732597    
 O   -3.43534803       11.1246443      -12.8287697    
 H   -3.95947313       11.5393152      -13.5103521    
 H   -2.68916106       11.7206955      -12.6526327    
 O   0.962060511       6.77544403      -10.9321775    
 H    1.08433115       6.00400305      -10.3578749    
 H    1.33818798E-02   6.95731878      -10.9601898    
 O   0.130415604       10.3810129      -11.4104414    
 H    1.03866363       10.4758797      -11.0994291    
 H   0.155945197       9.90949821      -12.2528429    
 O    1.06256211       4.83844614      -9.01397800    
 H    1.59053469       5.21131039      -8.29661655    
 H   0.139998287       4.96899271      -8.75731277    
 O  -0.190687045       7.22450352      -6.46638918    
 H  -0.774864852       6.79591656      -7.10339260    
 H  -0.177295133       8.16807747      -6.67873335    
 O    2.19569874       7.24555492      -13.3055229    
 H    2.45530963       6.41803122      -13.7020683    
 H    1.79698873       7.03105164      -12.4441376    
          69
 Energy    -250.30978926867076     
  O     14.42358642      8.80317441    -10.36125294
  H     14.35972080      9.56267385    -10.95739656
  H     18.26441614      3.24075728    -11.51784403
  O     13.35271471     11.54880517    -15.70039878
  H     13.55076914      8.38868712    -10.31739903
  H     12.67868692      6.54747456     -9.91359932
  O     17.08354005     10.60868556    -13.00365451
  H     14.20899908     11.52724421    -16.14496651
  H     11.30282142      7.24752844     -9.77530887
  O     13.19582890      4.37287524    -13.82182980
  H     13.44294266     12.20133477    -14.99559736
  H     18.76621717      6.59725360    -14.74226832
  O     16.06111860      7.32720750     -8.69625587
  H     17.55141097      9.88099426    -12.57383687
  H     20.09969609      7.28541520    -15.12170047
  O     16.54613944     13.01638783    -14.38183243
  H     16.15250317     10.55278883    -12.74700287
  H     14.93151924     13.26448813    -13.74435384
  O     15.62741874      7.22709938    -12.37604840
  H     12.79381330      5.23649619    -13.61591194
  H     13.76175083     14.09929890    -13.16794440
  O     14.32647187     10.62137720    -12.39375813
  H     12.47979396      3.78567038    -14.04841533
  H     12.95441049      9.95524233    -14.91277509
  O     18.22659794      8.16488730    -12.25512703
  H     15.54295981      7.94048117     -9.24386770
  H     13.73667546      8.63022712    -14.72484508
  O     17.96600034      5.12734883    -14.44216747
  H     16.23930344      7.78080261     -7.87549697
  H     16.54859967     10.76078988    -16.46550763
  O     15.42242613      4.99080277    -15.51000863
  H     16.44568040     12.65171221    -15.27030787
  H     16.28012460     11.64421461    -17.70274378
  O     17.74305181      3.97685119    -11.82682266
  H     16.91652409     12.30142492    -13.84617689
  H     12.29817188      7.61942723    -13.55392241
  O     12.10604538      7.24142083    -10.28892353
  H     15.43682449      6.30481937    -12.16218739
  H     12.06497767      6.95268019    -12.17605938
  O     19.20920169      7.46225322    -14.83150920
  H     15.16779707      7.76734177    -11.72260353
  H     14.29340698      5.05239224    -10.13294838
  O     14.01322330     13.21614210    -13.42284567
  H     14.14648815     11.54493736    -12.60778459
  H     14.67581595      5.98445208     -8.96759654
  O     13.00580915      9.15741706    -14.36708326
  H     13.85089100     10.08497513    -13.04532885
  H     15.89415200      4.19239785    -11.84397284
  O     16.04496955     11.52737930    -16.78534852
  H     18.68449957      7.93609039    -13.07355795
  H     14.45103483      4.34422745    -12.46987283
  O     12.13540041      6.77169967    -13.12038001
  H     17.33955919      7.77396505    -12.31796223
  H     17.47897496      6.50104365     -9.68469966
  O     13.93832315      5.49181684     -9.34581323
  H     17.10146891      4.98968070    -14.85708784
  H     18.38570500      6.90008254    -10.86149933
  O     15.01579710      4.57334690    -11.72016553
  H     17.93609338      4.68974179    -13.58500072
  H     15.38917571      7.52347139    -14.13302603
  O     18.16888487      6.16675000    -10.27040066
  H     15.31492245      5.95184012    -15.54738428
  H     15.96269660      8.32065584    -15.33766380
  O     15.24282587      7.73875160    -15.06788927
  H     14.64825176      4.67337300    -15.03185376
  H     17.30226565      9.90516435    -14.66146010
  O     17.39245153      9.48245534    -15.52948036
  H     17.93380994      4.72594318    -11.23371422
  H     18.07917942      8.80999263    -15.43632357
          69
 Energy    -250.30919035935824     
  O     17.69584970     11.57669638    -17.94508164
  H     17.27021263     10.85449720    -18.40109447
  H     19.92169472     14.10724759    -16.46899573
  O     19.20714625     18.10756638    -14.89984816
  H     17.28517872     11.62969882    -17.06354196
  H     13.70491962     14.56925472    -11.98973466
  O     19.99058322     11.27819911    -13.85303818
  H     18.46646107     17.55564954    -15.19546149
  H     15.13745257     14.01606393    -12.18403276
  O     16.45225727     16.62468043    -12.81861865
  H     18.90149317     18.55423508    -14.10210348
  H     21.85253551     16.31398453    -14.51308959
  O     15.15283073     15.56735569    -17.24923610
  H     20.14600153     11.25065833    -14.80775841
  H     20.52701212     17.02451061    -14.17340780
  O     16.43228259     13.03658531    -11.60941588
  H     20.24004941     12.16014565    -13.54876357
  H     17.68106079     15.57950880    -11.84763689
  O     14.60602727     13.63909997    -15.20406114
  H     16.65482116     16.54474233    -13.76267234
  H     19.00372936     15.74833050    -11.08327416
  O     20.28324672     11.36924046    -16.65039419
  H     15.68173839     16.06581222    -12.65900839
  H     15.90692620     12.48113075    -15.34150820
  O     22.59098271     15.88275825    -16.18093665
  H     14.54145530     15.95923399    -17.86643958
  H     16.88306612     11.47923562    -14.62347343
  O     20.16770636     13.99347130    -13.09882534
  H     15.82024436     15.09111693    -17.77749937
  H     20.12138699     17.96067619    -16.54092479
  O     17.11672727     14.31110357    -18.60316411
  H     16.81339066     12.26355773    -12.04207390
  H     21.38146612     17.19407002    -16.97839212
  O     20.67465182     14.13919583    -17.07938108
  H     17.16612579     13.60971769    -11.35100229
  H     20.70410593     16.98438793    -11.98784261
  O     14.48635007     14.65559728    -12.52913904
  H     14.49993977     14.06038235    -14.34291907
  H     19.53164935     17.86199855    -11.52026617
  O     21.22986797     16.47765654    -13.79468316
  H     14.68673499     14.34073891    -15.86150094
  H     17.61381851     19.57786356    -12.01166809
  O     18.33429055     15.09256998    -11.32721898
  H     20.63491643     12.24141737    -16.86897345
  H     17.41902702     18.11179780    -12.45909185
  O     16.71012557     11.94784752    -15.44834999
  H     19.45767065     11.31347019    -17.14564225
  H     18.42351723     10.91871929    -13.27707417
  O     20.59011507     17.62955713    -17.31789000
  H     21.98155096     15.18296388    -16.47360342
  H     17.41608379      9.91134185    -12.67141645
  O     20.14627111     17.17948565    -11.22385345
  H     23.47183099     15.59325717    -16.40356478
  H     19.06613246     14.00757506    -14.50418910
  O     18.06956786     18.83084882    -12.39164664
  H     20.65485382     14.79710123    -13.32572274
  H     17.94828310     13.32118564    -15.35259086
  O     17.49134284     10.79657896    -13.01700267
  H     19.54011964     14.25035580    -12.40897870
  H     19.82203087     16.51728091    -18.44758936
  O     18.53862750     14.08336822    -15.31142976
  H     17.92339170     14.81604309    -18.76210474
  H     19.77272835     16.04556793    -19.91748296
  O     19.51986047     15.79892221    -19.03126983
  H     17.37799201     13.39513702    -18.45067520
  H     17.64515963     15.56988215    -15.45664881
  O     17.14214116     16.39984507    -15.48187251
  H     20.35247647     14.58804676    -17.87067638
  H     16.41931446     16.26921934    -16.10534137
          69
 Energy    -250.30868792094128     
  O     12.23606199     11.42246703    -10.53483112
  H     13.02815714     11.63299800    -11.04312695
  H     16.82756867     11.35569274    -14.70828041
  O     13.11522146      8.41781134    -14.87585258
  H     11.50539983     11.41011355    -11.16652828
  H     15.63607584      8.75409644    -12.75229217
  O     18.27773049      8.49648998    -10.94733154
  H     13.97944802      8.45653291    -14.43420818
  H     16.22798115      8.95000749    -14.17408104
  O     16.53536194      7.90751158    -16.79546411
  H     13.29352056      8.50146544    -15.81969652
  H     11.57894252      9.27285855     -8.27388440
  O     12.33482944     10.97247013    -14.16709095
  H     17.42201604      8.94820324    -10.94366351
  H     12.00493755      9.96622548     -9.59142149
  O     15.22070812      5.26875273    -10.97788696
  H     18.68322460      8.66287804    -11.80599339
  H     18.33567019      5.76834085    -12.63357934
  O     12.30129094      6.77590569    -12.82457896
  H     15.68474313      8.24584325    -17.10291305
  H     17.68152292      5.83089092    -14.03336424
  O     15.67998294      9.50108551    -11.10706224
  H     16.34526934      7.11207176    -16.28223397
  H     10.73085650      8.49068756    -10.66423863
  O     14.02817939      9.11752868    -17.44426262
  H     11.50623857     11.00500224    -13.67470637
  H     10.89015396      7.71786256    -11.99388071
  O     13.97943614      4.52337945    -13.24774343
  H     12.50081159     10.04489637    -14.39149783
  H     20.42348973      8.47653749    -13.67398148
  O     17.55634005      9.80064346    -15.11211933
  H     16.16724385      5.42575691    -10.87502589
  H     19.16800868      7.57357733    -13.63590518
  O     16.33354688     12.15848008    -14.46879005
  H     14.77020108      6.06092473    -10.65746957
  H     15.28357010      5.36350170    -14.39612417
  O     15.56577371      8.46225189    -13.66816153
  H     12.74214196      5.93316450    -12.98781295
  H     15.82712151      6.79765609    -14.28719749
  O     11.81148642      9.10329143     -9.18244908
  H     12.47668492      7.32463141    -13.60293913
  H     18.09171596      6.77763978    -10.74836473
  O     18.51235103      5.97125230    -13.56066595
  H     14.99952072      8.87994035    -10.80873421
  H     18.55675930      5.46017877    -10.08434637
  O     10.33654889      8.36390345    -11.53629377
  H     15.23446003     10.28536283    -11.45525338
  H     14.90934678     11.84370309    -15.73083574
  O     19.47391261      8.49816623    -13.58857375
  H     13.64251786      9.19789120    -18.31259177
  H     13.41492794     11.51608868    -15.59435752
  O     15.95759278      5.95438048    -14.74918080
  H     14.10978534     10.02100394    -17.08876804
  H     13.09888499      8.05001252     -9.95732556
  O     17.97955411      5.81009605    -10.75794208
  H     14.45940939      4.71682893    -12.42049154
  H     13.24492622      7.37604202    -11.34798306
  O     14.13977749     11.55426839    -16.23392738
  H     13.77074909      3.59318491    -13.23308287
  H     13.67482851     11.38076743    -13.00086658
  O     13.73142708      7.62293604    -10.54850253
  H     18.29532736      9.41211081    -14.62459157
  H     15.11606883     11.91019114    -12.99784755
  O     14.40656328     11.61947398    -12.41254774
  H     17.31015354      9.18574924    -15.82138991
  H     10.14328900      9.97608938    -12.16753371
  O     10.14550747     10.91085255    -12.44231125
  H     16.93519423     12.89128184    -14.57642382
  H      9.23555615     11.19249765    -12.47491186
          69
 Energy    -250.30824240702469     
  O     11.77995033      8.53443922    -14.07645968
  H     11.84675484      8.85442842    -13.16907533
  H     19.40941609      5.29809742    -15.60450836
  O     16.68956598      5.93204589    -11.50468285
  H     12.34402467      9.09792223    -14.61602442
  H     15.46067754      8.50930077    -18.28042639
  O     17.97100141      9.71539676    -13.68177484
  H     17.49379654      6.34240468    -11.85060160
  H     16.17159023      8.47528588    -16.90633944
  O     13.01057952      5.21712767    -12.27580324
  H     16.30853209      6.52634077    -10.84179727
  H     15.60388025      6.72885132    -12.77767341
  O     16.91013167     11.15240215     -9.77555857
  H     18.35076545     10.32742640    -13.03983536
  H     14.07926235      6.64609876    -12.95316990
  O     15.54207347      7.75628648     -9.77954809
  H     17.00802066      9.81198057    -13.63313916
  H     11.07498469      9.54674833    -10.88364451
  O     15.22997602      9.77501163    -13.57758327
  H     12.52742442      5.27908391    -13.11518762
  H     12.15275900      8.43875678    -10.85841396
  O     14.54828993      6.17759346    -15.89475599
  H     13.71262900      4.56480243    -12.37769603
  H     19.51377989      9.55790296    -10.80626501
  O     17.74957069      8.77402051     -8.39161206
  H     17.14359055     10.44073948     -9.16703047
  H     19.43924804      8.06020941    -11.15706747
  O     16.47386384      4.35124898    -15.02161164
  H     16.03201151     10.93539930    -10.11691828
  H     12.80389601      6.27997122    -10.82563435
  O     15.43734547      3.68334106    -12.42967234
  H     15.21598460      8.56180055    -10.20521736
  H     13.72001280      7.10331908     -9.88356289
  O     18.74184153      5.80792433    -15.15330307
  H     16.24757975      8.03256255     -9.18103732
  H     18.05083381      7.44123994    -15.86340066
  O     15.30013472      8.53107516    -17.34058437
  H     15.06665114      8.82302910    -13.47124548
  H     17.87683863      8.88621243    -15.35449452
  O     14.86755113      7.09946691    -13.27888984
  H     14.68324138     10.06434754    -14.31640659
  H     18.49361675      8.09569172    -13.04724012
  O     11.90580482      9.28599321    -11.27291543
  H     14.68614750      6.53911763    -15.00499560
  H     18.90572848      6.68226255    -13.51894167
  O     19.55557052      8.67368021    -10.42058170
  H     14.73979250      6.89758315    -16.50416092
  H     19.42556552     12.07392894    -11.47486451
  O     12.80539888      6.99129337    -10.16820838
  H     18.43815446      8.67305295     -9.07334820
  H     18.20410070     11.29412152    -10.93100468
  O     17.67817221      8.29990452    -16.09615168
  H     18.17283005      8.63843294     -7.54842091
  H     11.77812076      6.76193347    -14.52503477
  O     18.79071137      7.22914081    -12.73178169
  H     16.09966832      4.01436485    -14.19957241
  H     12.72242302      5.82429452    -15.30289750
  O     18.95486068     11.24843864    -11.55049185
  H     15.77359281      4.86408857    -15.44869788
  H     13.61159621      9.98684954    -10.95182403
  O     11.96363646      5.82761340    -14.70761579
  H     15.62397441      2.90274119    -11.91370002
  H     14.83928836     10.12727663    -11.86741783
  O     14.56405809     10.14222864    -10.93920542
  H     15.93244322      4.41495034    -12.02092833
  H     14.13818166      9.55596677    -16.38680964
  O     13.58412664     10.09457394    -15.79936512
  H     17.94698723      5.24698540    -15.10340116
  H     13.21466299     10.79351685    -16.33383809
          69
 Ord_Energy   -250.308212    
 O   -2.48646784      -2.67936826       4.34934711    
 H   -2.75083447      -3.48367357       3.88465357    
 H   -1.79181170      -2.26530409       3.82371712    
 O   -9.67017937       1.53457844      -1.58146036    
 H   -10.2788734      0.934457242      -1.13368869    
 H   -9.51778126       2.25937986     -0.961072862    
 O   -4.67242384      -1.36421824       1.53353035    
 H   -5.35406876      -2.01717591       1.34095442    
 H   -4.63345003      -1.23079002       2.49042058    
 O   -11.1418915     -0.255394131      0.158578157    
 H   -12.0666723     -0.475945711      0.225596696    
 H   -10.9376030      0.338473648      0.903559446    
 O   -6.12611961      -3.97677946       3.50221109    
 H   -6.40594006      -3.85519695       2.58288693    
 H   -5.23720884      -4.34534121       3.44941473    
 O   -8.61068344      -1.45945418      0.350334942    
 H   -8.11039829     -0.897630036     -0.259828001    
 H   -9.53813267      -1.21116436      0.256274194    
 O   -3.48497963      -4.95746279       2.98433566    
 H   -3.20827031      -5.85385418       3.15766335    
 H   -3.38185835      -4.81678391       2.02730417    
 O   -8.94822979       3.36421680      0.523137391    
 H   -8.81608868       4.30733109      0.573024154    
 H   -8.08848381       2.95062280      0.714288592    
 O   -5.29648590      -3.93051934      -1.47378910    
 H   -5.22462606      -2.99746299      -1.74715376    
 H   -5.55102348      -4.42483616      -2.24810696    
 O   -2.53332496      0.954233348       3.06564808    
 H   -2.97816801       1.22348118       2.25302005    
 H   -3.21084070      0.518351436       3.60299540    
 O   -6.69159842       1.92228186       1.08292341    
 H   -6.99538326       1.27452922       1.73565066    
 H   -5.73251629       1.83652413      0.998286605    
 O   -10.2764444       1.40831721       2.12645626    
 H   -9.50699806      0.960706532       2.50335288    
 H   -9.93002892       2.18386173       1.66680932    
 O   -5.13909912      -1.32053316      -2.12194276    
 H   -4.32138538     -0.824170291      -2.00725603    
 H   -5.86230183     -0.719504833      -1.89732337    
 O   -7.89565229      -3.19178589E-02   2.67646337    
 H   -7.61556816     -0.589242399       3.41149664    
 H   -8.13145256     -0.616404653       1.94217181    
 O   -7.21182442      0.351577282      -1.23825395    
 H   -8.03252220      0.750765741      -1.56390250    
 H   -6.92291212      0.903707147     -0.500713110    
 O  -0.726179957      -1.04527843       2.73459625    
 H   -1.30604696     -0.273889899       2.87346220    
 H   0.147807091     -0.786031365       3.01295757    
 O   -2.16138411      -1.83543015      0.476158649    
 H   -1.54080987      -1.61749279       1.18316412    
 H   -3.05044961      -1.73890841      0.855208457    
 O   -2.67145228       1.23429196E-02  -1.49647236    
 H   -2.38112664     -0.666113377     -0.862611651    
 H   -1.93599200      0.178663820      -2.08023214    
 O   -4.08703804       1.17856824      0.675187647    
 H   -4.37227821      0.293727160      0.959089875    
 H   -3.59156847       1.03555512     -0.138488814    
 O   -4.40756845     -0.752783656       4.25068855    
 H   -3.77598667      -1.46861982       4.43222237    
 H   -5.26768875      -1.01774144       4.59312391    
 O   -3.14217639      -4.45975447      0.326303571    
 H   -2.64278698      -3.63377547      0.278246969    
 H   -3.84904122      -4.37579250     -0.324608117    
 O   -6.99452639      -1.74907112       4.74524355    
 H   -6.70578623      -2.59192395       4.34891987    
 H   -7.44817591      -1.96568704       5.55523252    
 O   -6.64601755      -3.28872967      0.888386428    
 H   -6.26105881      -3.60931039       6.33718818E-02
 H   -7.42526674      -2.76059985      0.665928125    
          69
 Energy    -250.30719377240422     
  O     16.17509013     11.85361086    -16.72397803
  H     16.23108642     12.74644879    -17.05201561
  H     18.02465239      8.58395769    -17.66174387
  O     14.53621338      7.29603527    -12.89223712
  H     15.99097450     11.91468614    -15.76723998
  H     15.42992298      8.74694130    -15.69726026
  O     18.63860365      8.19640948    -12.57965493
  H     15.29055834      6.70718986    -12.75049959
  H     15.52680514      8.16673449    -14.26360218
  O     19.40164074      5.97602625    -16.64874518
  H     13.91257340      6.87909361    -13.49981818
  H     14.73941628     11.71020626    -13.79153520
  O     12.52075566      9.29435916    -15.09787751
  H     19.08310068      8.11135467    -11.72648306
  H     16.22101660     11.44230602    -13.44946471
  O     17.90208160     10.13024069     -9.50909318
  H     18.05193666      8.96326640    -12.51944083
  H     17.03546179      6.08805593    -10.71250638
  O     14.32152639      9.48835586    -11.35434297
  H     19.67548157      6.70175296    -16.05721029
  H     16.56803835      7.04464689     -9.57977100
  O     14.46420851      5.76880529    -16.83163075
  H     20.17681298      5.44777288    -16.81537551
  H     12.79139105     10.47547340    -13.86549965
  O     15.50757931      8.56169286     -9.06433539
  H     12.48087461      8.33630397    -15.00361226
  H     12.27032427     11.74038621    -13.14201451
  O     16.88887237      5.71506975    -15.42407213
  H     13.09682123      9.46280953    -15.85734782
  H     19.57637522      8.09144944    -14.16002263
  O     12.74298167      6.43441832    -14.85590849
  H     17.11175989      9.66246164     -9.21052873
  H     19.49214582      8.82941238    -15.50507876
  O     17.90468478      7.81817482    -18.23978989
  H     18.59192475      9.45642200     -9.55542239
  H     17.55156225      6.73607917    -12.63370533
  O     16.04133211      8.36410927    -15.05400826
  H     13.79491227     10.12464458    -11.85214418
  H     16.96378469      5.63461439    -13.53810593
  O     15.64141457     11.87403600    -14.09072721
  H     14.32364834      8.66550896    -11.87107897
  H     18.77604441      7.24159876     -9.81834723
  O     17.23989417      6.39354913     -9.81958612
  H     15.30538994      5.56647390    -16.39898253
  H     20.28778710      7.39788892     -9.51763749
  O     13.01217021     11.14356424    -13.19113918
  H     14.67874957      6.35064218    -17.56977165
  H     15.17829017      7.53029440    -19.78847719
  O     19.92903972      8.09089434    -15.06017738
  H     14.91585808      8.57884157     -8.31594687
  H     16.24636376      7.67440186    -18.67730264
  O     16.94442367      5.97938496    -12.63608094
  H     15.01248657      8.92426832     -9.81770189
  H     16.02214516     10.05351157    -11.87677987
  O     19.54811830      7.82346386     -9.94172514
  H     17.75030063      5.67064038    -15.85708565
  H     17.34943304     10.47157733    -11.22087309
  O     15.28718386      7.64726595    -18.84864265
  H     16.66054355      6.65593802    -15.35980055
  H     17.61107156     10.62339253    -16.48802411
  O     16.91749185     10.35495542    -12.08013792
  H     13.32176933      6.18409738    -15.59817754
  H     17.45437418      9.30701912    -15.70817468
  O     18.07545040      9.81169283    -16.25734298
  H     12.03006699      5.80157942    -14.83945812
  H     14.71336093      9.02623566    -17.75845276
  O     14.47595915      9.61910158    -17.03358116
  H     18.43855214      7.11514508    -17.85213495
  H     15.03005961     10.40900957    -17.08304705
          69
 Energy    -250.30659762446552     
  O      1.83326076      0.17897294      2.70302292
  H      1.39442205     -0.61441508      3.06169163
  H     -4.08794289      4.95260895      2.51490291
  O     -4.49502338     -0.30695048     -2.35675186
  H      2.76784632      0.06880315      2.85473905
  H     -2.01460226     -1.25171322      5.57065655
  O      0.48036842     -1.91926543      3.66595319
  H     -3.84723650      0.35566372     -2.08201820
  H     -1.08523278     -0.10366302      5.96114249
  O     -6.59972102     -0.87560823     -0.74909097
  H     -4.00102050     -1.12906326     -2.46417573
  H     -0.90724930      3.66301862      0.90808060
  O     -3.05659912     -2.78862958     -2.19251803
  H     -0.03020122     -1.69198826      4.45693992
  H     -0.71761007      3.35281639      2.40959817
  O     -1.14134528     -1.10854294     -0.97988330
  H     -0.15377602     -2.17477346      2.98432733
  H     -4.08628267      2.54507802      1.60181367
  O     -3.73966384      2.51470594      4.99254700
  H     -5.87789575     -0.60382502     -1.34493266
  H     -4.69586883      1.11055806      1.36103453
  O     -0.05199471      2.07736700      3.51382346
  H     -7.40523050     -0.83289887     -1.25712315
  H     -2.73436698      0.89627325      2.14201753
  O     -2.53893613      1.32710777     -1.18308070
  H     -3.70063437     -3.02641142     -1.50201568
  H     -1.42901840      0.97154827      2.98339449
  O     -5.89037733      0.66583448      4.43311073
  H     -3.00023886     -3.53530354     -2.78281413
  H     -5.63986682     -2.55223508     -0.44749108
  O     -3.64822965     -1.07831919      4.61155540
  H     -1.66914332     -1.75344165     -1.46693319
  H     -4.72190128     -3.15837768      0.63127883
  O     -3.75620549      4.06359612      2.60369101
  H     -1.62706021     -0.27253038     -1.03701329
  H      0.36969208     -0.10553132     -0.29796156
  O     -1.09768593     -1.05472825      5.80225205
  H     -3.73484823      3.10475312      4.22830082
  H      1.21248066      0.40890498      0.90663476
  O     -1.20854167      3.91118234      1.78966021
  H     -4.49407533      1.92872629      4.86427225
  H     -2.17783825      2.05247263      5.67766431
  O     -3.99793209      1.72485256      1.09983280
  H      0.68017632      1.47322786      3.33346898
  H     -1.18681511      2.28013954      6.84056048
  O     -2.15994238      0.39469441      2.73270485
  H     -0.30439712      2.00431162      4.44370255
  H      0.20715474      2.15022180     -0.44084534
  O     -4.96949780     -3.22965354     -0.30018736
  H     -1.81286873      1.96125804     -1.15935426
  H      0.29271310      3.41028371     -1.33466529
  O      0.89527876      0.63663854      0.02523124
  H     -3.07673674      1.49813148     -0.39506092
  H     -1.29677292     -1.82345369      0.69078102
  O     -1.29123544      1.82440274      6.00917086
  H     -6.77461072      0.62736784      4.78993416
  H     -1.65261326     -1.14940108      2.02936693
  O     -0.27588111      2.94851753     -0.72429072
  H     -5.94782203      0.35391835      3.51518061
  H     -4.03529042     -2.29022168      3.21396561
  O     -1.47006940     -2.01169050      1.62141012
  H     -3.10355004     -0.53042238      4.02242552
  H     -3.17285338     -2.49540502      1.96457128
  O     -4.08677002     -2.54734677      2.28441257
  H     -4.44263826     -0.56274074      4.78519088
  H     -5.15717134     -1.06810206      1.97375730
  O     -5.74803134     -0.31306707      1.83669312
  H     -2.82623049      4.07732853      2.30704359
  H     -6.17534927     -0.45330943      0.98133541
          69
 Energy    -250.30655720876933     
  O      9.86126528      9.49846755    -12.05079659
  H      9.87358204      8.54738325    -11.83707140
  H     18.48275910      7.45056384    -15.53420058
  O     14.21675688      7.47581235    -15.50431988
  H      9.12830397      9.87971878    -11.57575757
  H     15.40439520      7.87202602    -14.17652046
  O     17.30495144      9.93720284    -10.48716403
  H     13.71970040      8.30251811    -15.42973729
  H     15.73781718      8.83088547    -12.99503016
  O     12.89770721      9.81963491    -14.85746912
  H     14.79919862      7.53043173    -16.27258444
  H     11.08475116      6.75449332    -11.43526097
  O     14.91578347      5.53094249    -10.06775697
  H     17.37021255     10.61856135     -9.82177600
  H     10.06474927      6.41465667    -12.53317194
  O     13.02129316      5.53862095    -13.95241593
  H     16.58854341     10.20306427    -11.08556200
  H     18.63605335      5.93128506    -12.24529438
  O     15.25538061     10.48623329    -12.25240774
  H     12.80604913      9.69282728    -13.90120202
  H     19.92098214      5.54116975    -11.47880397
  O     16.76359375     10.25856770    -16.35096809
  H     13.54169035     10.52900757    -14.97022864
  H      9.63240733      5.60379981    -14.98777344
  O     15.13688563      4.15833651    -12.61087133
  H     15.69549746      6.11227244    -10.02330337
  H     10.27261103      6.96645303    -14.63215149
  O     18.45520205      9.05738751    -14.53470688
  H     14.86703745      5.07504319     -9.23162817
  H     19.59576893      8.08706664    -11.84620751
  O     16.17296491      7.67051662    -17.47997786
  H     13.45991841      6.13992891    -14.57229224
  H     18.88559833      9.40269276    -11.48141352
  O     18.12840278      6.63481274    -15.91518061
  H     12.07931135      5.56356717    -14.16114181
  H     16.64430161      4.96537031    -13.17528639
  O     16.05163039      8.06326174    -13.48421913
  H     15.25358479     10.97657396    -13.08464636
  H     16.89012967      6.48155972    -13.33081872
  O     10.14766563      6.82715003    -11.66432780
  H     14.33580594     10.25441636    -12.05639214
  H     17.87614161      6.78241211    -10.40609552
  O     19.25823576      6.22229161    -11.55620263
  H     17.49541825      9.98131918    -15.77962367
  H     17.12070594      8.08540957    -10.08038541
  O     10.27444258      6.01685622    -14.41643063
  H     16.52605877      9.47747424    -16.86268312
  H     15.66848389     11.17831755    -15.40475603
  O     19.59198816      9.03591544    -12.02670125
  H     14.37664050      4.47610471    -13.11517805
  H     15.08116268     12.57214433    -15.08032837
  O     17.32690434      5.61768677    -13.38547399
  H     15.04155840      4.52478066    -11.72287234
  H     13.02005600      6.40882204    -12.36731922
  O     17.09250117      7.12918154     -9.96127732
  H     17.60800052      8.72314031    -14.20278770
  H     13.60084162      6.45224505    -10.92840390
  O     15.04122343     11.65324227    -14.82936155
  H     19.01371108      9.14927501    -13.75187335
  H     11.73268646      9.68979060    -11.97604895
  O     12.95651856      6.86517998    -11.51561590
  H     16.25774800      7.38020790    -18.38394726
  H     12.82898593      8.60151418    -11.83774636
  O     12.67893510      9.53046468    -12.07380148
  H     16.88483800      7.23430499    -16.97667614
  H     10.03208468      9.09293293    -13.93456432
  O     10.29310928      8.72120415    -14.78663185
  H     17.89744321      6.08327234    -15.15698168
  H     11.12463688      9.15512554    -15.01556157
          69
 Energy    -250.30647973722415     
  O     16.27638039      9.01826375    -14.78038694
  H     15.45201522      9.51510209    -14.82844499
  H     17.39178610     13.27586882    -10.29578896
  O     15.04664250     12.42465697    -13.03395006
  H     16.87705504      9.47450533    -15.38611907
  H     20.05319799     15.14971289    -17.41539275
  O     21.32447998     10.92726977    -11.57832160
  H     14.53602507     11.83127804    -13.59863415
  H     19.36515161     15.56479465    -16.09851082
  O     21.46335794     12.79546309    -13.67218272
  H     15.98010426     12.19531282    -13.18376110
  H     19.80527951     10.70878946    -15.66893810
  O     15.64986211     12.41961497    -10.33939268
  H     21.50248907     11.64157300    -12.20351271
  H     20.81784826      9.95823075    -14.76722585
  O     19.71667467     11.27379243     -9.43937613
  H     21.20584468     10.13212157    -12.11171893
  H     16.66766247     10.77917626    -10.24475826
  O     18.08016588      9.09241263    -12.68429630
  H     21.91660184     13.45240750    -14.21502867
  H     18.11601785     10.39112607     -9.90080483
  O     13.99807103     10.79875943    -15.05308724
  H     21.18254900     12.09032010    -14.27412627
  H     15.71229699     12.93707872    -17.01987060
  O     17.53510708     13.22347894    -17.35357688
  H     15.32845108     12.43780436    -11.25502562
  H     14.82080554     13.64330329    -15.98998447
  O     22.46846660     14.60983515    -15.54620036
  H     14.89742530     12.59836947     -9.78040881
  H     20.56916967     13.23652940    -18.30735298
  O     18.04108003     10.86103315    -15.99638337
  H     20.23549698     11.16190514     -8.64739983
  H     20.14868337     13.81666462    -19.67870892
  O     18.30977935     13.56833767    -10.33660893
  H     20.32278477     11.14351311    -10.19072132
  H     18.30716959     14.68464174    -14.35335777
  O     20.18799524     15.64535146    -16.59819818
  H     17.71133028      9.27443230    -11.80714276
  H     16.91908164     15.05665133    -14.93076009
  O     20.72905556     10.69943520    -15.37819043
  H     17.36501582      8.94583477    -13.32104430
  H     22.17106917     13.12864846    -16.75970109
  O     17.28867731     10.04213323    -10.25901109
  H     14.29920214     11.47976298    -15.68157059
  H     21.50254530     11.73890152    -16.73212667
  O     14.85167202     12.88375397    -16.58364543
  H     13.16037131     10.47931837    -15.37799976
  H     20.92344047      7.84320403    -13.29513177
  O     19.89258837     13.77027563    -18.76174913
  H     17.67489194     13.80700354    -16.59280593
  H     19.73936073      8.81927208    -13.09097102
  O     17.84890787     14.95554291    -15.16350734
  H     18.26537473     13.38827027    -17.96226822
  H     18.22496559     12.49058108    -13.17510895
  O     21.78023021     12.45040873    -17.32413719
  H     23.16889192     15.25574192    -15.57337645
  H     17.92355993     10.94621866    -13.01608264
  O     20.68470386      8.76583273    -13.32158935
  H     21.66508641     15.05157238    -15.87578661
  H     15.04684174     14.03959648    -13.87004970
  O     17.63487298     11.76999726    -13.42774394
  H     17.85161560     11.21093565    -15.11122915
  H     14.50173431     15.46989209    -14.08848989
  O     15.09376002     14.81579232    -14.45175072
  H     17.86129057     11.58802819    -16.60537791
  H     18.91582595     13.99166538    -11.95351275
  O     19.11640816     14.03573877    -12.90055372
  H     18.82925992     12.84876974     -9.95483136
  H     19.99800727     13.67335669    -13.06258129
          69
 Energy    -250.30638950550136     
  O      9.90301980     12.79367906    -12.09076235
  H      8.97290835     12.99399446    -12.18011543
  H     10.09494745     11.37746471    -10.69977509
  O     14.34542640      9.05908626    -17.76741351
  H     10.22212882     12.59407755    -12.98451481
  H     13.59512832     13.71194951    -13.34096586
  O     11.22652931      8.89776122    -12.04237004
  H     14.90160294      8.72740547    -18.46671058
  H     12.60146471     12.74835026    -14.08328445
  O     14.36081064      8.97627266    -14.93883801
  H     14.55035827     10.00676398    -17.66661209
  H     16.29367907     10.19639535    -11.31828707
  O     13.32645970     12.47481849     -9.55179036
  H     10.71677166      9.36655603    -11.36490202
  H     14.76840476     10.02068762    -11.31668176
  O     14.73967889     11.69352388    -17.21978764
  H     11.63580215      8.12330869    -11.63765288
  H     14.61971187      7.85150211    -13.46941241
  O     11.63305209      9.51616843    -14.64895299
  H     14.41192618      8.83013468    -15.89132509
  H     15.20874071      8.09634813    -12.06690163
  O     13.74815479      8.65873754     -9.07092913
  H     14.86631828      9.78074918    -14.75439436
  H     13.07515955     15.06786171    -11.79057100
  O     13.26771594     10.85420015    -11.77714481
  H     12.94187063     11.94599975     -8.84385941
  H     13.86253279     16.18015271    -12.53062761
  O     12.03094478     10.50785430     -8.05950939
  H     13.28738126     11.90601283    -10.33729682
  H     13.45418457      6.92889487    -11.59388404
  O     15.59801496     13.51844379    -10.87530410
  H     15.16516884     11.71009431    -16.35198736
  H     12.59337274      5.84059845    -10.90463849
  O     10.09039000     10.55010960    -10.20502772
  H     13.87734261     12.11283469    -17.12185472
  H     16.64498167     12.37243455    -11.67765216
  O     13.49699007     12.83581477    -13.73472965
  H     12.58138850      9.33587033    -14.71712650
  H     18.09133991     11.92567377    -11.98989807
  O     15.59567178      9.59812882    -11.03281560
  H     11.35175167      9.18646061    -13.78381760
  H     11.12963364     11.23041569    -14.58484580
  O     14.75205110      7.43690303    -12.60753457
  H     14.51890261      8.96844717     -9.56322566
  H     11.12615378     12.45475043    -15.52396266
  O     13.83656269     15.24057201    -12.37536587
  H     13.36688314      7.95096544     -9.60498433
  H     14.91467203     11.97366777    -14.27996639
  O     12.71952250      6.78298278    -10.96882467
  H     12.55872180     10.22058550    -11.93889050
  H     16.29748907     11.46898406    -13.81463343
  O     17.17711114     11.69924560    -12.13926392
  H     13.30294780     11.49431412    -12.49825626
  H     11.60990535     12.95094322    -18.02235904
  O     10.95380208     12.18475773    -14.61268675
  H     11.83876324     10.29381582     -7.15072720
  H     11.74470983     11.54245237    -17.39741581
  O     15.66745977     11.42004570    -14.54241487
  H     12.64410270      9.82347546     -8.38407639
  H     12.28489270     13.83004793    -10.23164065
  O     11.89523937     12.49211207    -17.23626795
  H     14.94141725     13.17847067    -10.25293997
  H     11.10813925     13.95486359    -11.22422484
  O     11.81154278     14.45797208    -10.79658750
  H     15.14064188     14.19813485    -11.38336611
  H     12.45921303      9.41090960    -17.67445335
  O     11.60341567      9.79626486    -17.44793778
  H     10.69765625     10.64810791     -9.46110978
  H     11.44670790      9.56245077    -16.52233081
          69
 Energy    -250.30582522327973     
  O     -9.13352369      1.17218761      6.31210143
  H     -9.44920425      1.95958104      6.77137241
  H    -11.83578739      3.00620895      2.99894883
  O     -4.89520201      1.67106012      4.87416932
  H     -8.55977228      1.46790521      5.58678022
  H     -4.99596918     -0.14984270      1.90174053
  O     -6.89885217     -2.06432770      4.96183742
  H     -5.84025425      1.65710352      4.65881412
  H     -4.62755468     -0.13654939      0.39726704
  O     -7.24762308      4.00631310      7.21131198
  H     -4.85563355      1.81619584      5.82605471
  H    -10.34039255      0.57724594      5.14751523
  O    -13.23406649      1.41826546      5.41926122
  H     -6.84849876     -2.95369000      5.30398590
  H    -10.39737566     -0.36231731      3.92529489
  O     -7.58810834      1.83979164      4.12152605
  H     -6.89341534     -1.47237212      5.73469710
  H    -12.99448108      4.48973977      6.29442246
  O     -5.39274954      2.04073073      7.60719691
  H     -7.26111112      4.58211150      6.43847226
  H    -12.00858960      5.14560769      5.31043163
  O    -10.05695622      3.56473716      7.38774274
  H     -8.17084042      3.88741188      7.46770410
  H    -14.38481991      3.72000092      2.93269694
  O    -12.81943888      3.03525819      7.56940227
  H    -12.49543037      0.89592817      5.07644167
  H    -13.45319675      4.08647356      4.11411802
  O     -7.55489140      5.66140152      4.84578649
  H    -13.50430445      1.99199289      4.69335799
  H     -8.25586186      1.33179386      1.25672726
  O     -4.74172439      2.86005845      2.31894406
  H     -7.46016815      2.70989334      3.72497742
  H     -6.96295343      0.46037696      1.32675666
  O    -10.90182592      2.75873113      2.99511382
  H     -7.70922887      1.23106537      3.38082192
  H     -8.70506659     -0.86077530      2.54719010
  O     -5.14899101      0.31306905      1.05615939
  H     -4.90997643      2.24741167      8.40295345
  H     -8.39496978     -1.67898752      3.81673328
  O    -10.87700611      0.34754578      4.37424382
  H     -6.05387010      2.74636970      7.49304223
  H    -10.32266362      4.08126234      4.21556502
  O    -12.95119235      5.03477262      5.49874798
  H    -10.11258443      4.01436762      6.53103063
  H     -9.34154244      5.15449200      4.80261835
  O    -13.59190640      3.45151269      3.38817432
  H    -10.96961242      3.37691907      7.63904280
  H     -7.71086347      3.90747413      1.95367861
  O     -7.87587783      0.53112712      1.63643271
  H    -13.42246782      2.80702547      8.27169015
  H     -6.21818054      3.80574263      2.42993816
  O     -9.11230189     -1.41158342      3.22940736
  H    -12.96893183      2.39205697      6.85311717
  H     -7.80489754      0.09578946      6.94026192
  O    -10.22210222      4.76956391      4.88626602
  H     -7.19586113      6.54403430      4.79837053
  H     -6.34124816      0.35738566      7.31544041
  O     -7.08490107      4.19670067      2.62769830
  H     -7.31104166      5.21302966      4.01747460
  H     -5.52586963     -1.29530319      3.94381040
  O     -6.95181666     -0.34481063      7.06686307
  H     -4.58891931      2.54476711      3.22078052
  H     -4.70214917      0.00292121      4.06162899
  O     -4.85170435     -0.76821811      3.49760600
  H     -4.80032033      2.06560551      1.77459471
  H     -9.50662846      3.30420210      0.18180112
  O     -9.07444180      3.03604666      0.98858871
  H    -10.83870534      1.89803118      3.43546364
  H     -9.76833722      2.94582164      1.66551200
          69
 Ord_Energy   -250.305237    
 O    3.87509060       2.36893702       7.44362831    
 H    4.76828098       2.09224176       7.18607378    
 H    3.89154840       2.46793699       8.40186310    
 O    2.90936756     -0.349251777       9.71855545    
 H    2.41762233     -0.222409114       8.89538288    
 H    3.18566084      0.528454125       10.0131741    
 O    1.21187019      0.638743818       4.53164721    
 H   0.375438184      0.564713001       4.08074284    
 H    1.87357044      0.194724783       3.97090197    
 O    6.32406712       1.29050910       6.84291553    
 H    6.45940638       1.00520241       5.93053150    
 H    6.03452015      0.505364060       7.33265448    
 O    8.59702492      -1.34421062       5.52385902    
 H    8.04972267     -0.712836504       5.04048252    
 H    8.18887520      -2.20643711       5.37844610    
 O    4.95218992      -2.04425073       4.48524904    
 H    5.63998079      -2.70989490       4.59218454    
 H    4.32178068      -2.17914081       5.21133280    
 O    4.86745834       1.93814015       2.88730240    
 H    4.27519560       2.32101059       3.55897284    
 H    4.97327662       2.59758520       2.20706916    
 O    5.48313713     -0.739301622       8.51110649    
 H    5.94237280     -0.303183585       9.24026394    
 H    4.55159473     -0.729036331       8.76049614    
 O    6.68399525      -1.76008904       11.7690992    
 H    7.26491880      -2.10494995       11.0668640    
 H    7.02339506      -2.09613895       12.5946140    
 O    8.19363308      -2.64874673       9.70976257    
 H    8.77559376      -2.09547091       9.17408276    
 H    7.57512283      -3.05645394       9.08931446    
 O    4.00418997      -2.59700823       10.9583941    
 H    4.87652063      -2.31766129       11.2578659    
 H    3.54060602      -1.79868841       10.6660490    
 O    2.13673425      0.176501378       7.12764931    
 H    1.68327737      0.286370099       6.28250027    
 H    2.75016022      0.921858966       7.20108223    
 O    6.19486570      -3.34228945       7.86101627    
 H    5.39818096      -3.80820847       8.14396667    
 H    6.00008488      -2.40044165       7.98752642    
 O    3.08925366       2.80737686       4.75745535    
 H    2.34750271       2.19383335       4.68482590    
 H    3.32750058       2.82861662       5.69307089    
 O    3.68389869      -4.15219259       8.76494312    
 H    3.77645493      -3.65134478       9.59517670    
 H    3.15698791      -4.92075014       8.96524811    
 O    6.56591129      0.218013585       4.31397009    
 H    5.98171186     -0.552552283       4.38371515    
 H    6.11192226      0.853651464       3.74743056    
 O    9.71208191     -0.990353525       7.96999073    
 H    10.6587029      -1.00402141       7.85297585    
 H    9.32294846      -1.09970224       7.08401012    
 O    3.16952920      -2.38616014       6.51270962    
 H    3.22768164      -2.94835925       7.29222107    
 H    2.77853060      -1.54625392       6.78434563    
 O    4.06319618       2.16924739       10.2999592    
 H    4.92167950       1.75247252       10.4928493    
 H    3.91671944       2.82323527       10.9784784    
 O    3.19748282     -0.405780315       3.00578189    
 H    3.76191211      -1.07968903       3.40752935    
 H    3.77550244      0.340185851       2.80437660    
 O    6.39133787      0.818609953       10.7240114    
 H    6.56745958       1.02326199E-02   11.2211256    
 H    7.17250395       1.04568744       10.1932783    
 O    7.07699251      -3.74142504       5.30839109    
 H    7.32382536      -4.65230751       5.17295265    
 H    6.77710581      -3.66232705       6.23112774    
 O    8.29291248       1.30238736       8.86314201    
 H    8.85342026      0.562313497       8.59945202    
 H    7.72499657       1.48327899       8.10161400    
          69
 Energy    -250.30478067827653     
  O     -4.01938202      1.18853898      1.10174049
  H     -3.78726673      0.98619308      2.02441254
  H     -2.26861924     -6.46734130      0.48748714
  O     -2.94635871     -0.46629083      6.17789120
  H     -4.38176044      2.07088060      1.09817617
  H      2.54454856     -0.68688123      2.54500823
  O     -0.51001714      0.20714269      3.30074680
  H     -2.01501761     -0.71523728      6.11559828
  H      2.42262867     -2.16859927      2.17217405
  O     -3.22440098      0.39842049      3.58864655
  H     -3.43179328     -1.29702781      6.25247755
  H     -0.80091903     -1.14610701      2.16211626
  O      2.23125638     -2.58570067      5.31128633
  H     -0.31585553     -0.33348826      4.08144179
  H     -1.31931365     -1.27616905      0.71387975
  O     -0.36320219     -1.53743627      5.42935787
  H      0.31321641      0.51391578      2.90269949
  H     -3.47686019     -3.27549983      2.50379527
  O      0.67174368     -4.98868215      4.80444838
  H     -2.27395110      0.42502021      3.40133226
  H     -2.06366390     -3.09206397      1.90606434
  O     -4.15706635     -3.06244788      5.90776145
  H     -3.28351454      0.25178784      4.54375160
  H      1.53648581     -2.92223344     -0.04206354
  O     -2.04858586     -0.07360139     -0.52012081
  H      2.46957646     -2.22335994      4.43905696
  H      0.58578268     -2.63040017      1.12889093
  O      0.72272913     -5.48323605      2.07323551
  H      3.02809872     -2.58831241      5.83454488
  H     -4.12585844     -1.23831766      3.36014134
  O     -1.28248776     -3.69110159     -1.48071341
  H     -0.87775756     -2.32526666      5.20426655
  H     -4.66627213     -2.42462480      4.18611642
  O     -1.73228280     -5.67907183      0.52221820
  H      0.54902245     -1.83881314      5.53035198
  H      1.49852368     -2.72378868     -2.62783476
  O      2.75138266     -1.57328568      2.86069691
  H      1.30243084     -4.27822030      4.96416098
  H      0.24280717     -2.88571558     -1.73953425
  O     -0.99593389     -1.78705256      1.46589227
  H      0.75417514     -5.23467495      3.86987360
  H      1.43001088      0.62645191      0.90097227
  O     -2.70189971     -3.76279142      2.19889123
  H     -4.53231774     -3.66596302      6.54331699
  H      2.23001251      1.69829437      1.67426132
  O      1.43621219     -3.03998525      0.90900857
  H     -3.30655838     -3.44408364      5.62575672
  H      0.97023180     -0.65759019     -1.09305783
  O     -4.62231491     -2.06627046      3.29121528
  H     -2.57267873     -0.71961899     -1.01101163
  H     -0.20768743      0.24659855     -0.70228861
  O      1.10251558     -2.43226161     -1.81120029
  H     -2.67130384      0.45077992     -0.00080394
  H     -4.25864904     -2.18794734     -2.27736592
  O      1.75274420      0.88009855      1.78413332
  H      1.09633287     -4.69742558      1.65151896
  H     -4.25842826     -1.98036228     -0.74734323
  O      0.75497637      0.17555208     -0.65633649
  H     -0.05527114     -5.70087348      1.54964199
  H     -0.95825082     -4.39010060      4.93187963
  O     -3.68519894     -2.14867937     -1.51575598
  H     -2.13081996     -3.23258023     -1.49891078
  H     -2.05269830     -3.94647653      3.92067721
  O     -1.79522651     -3.90659400      4.85046114
  H     -1.38250087     -4.42254328     -0.85905670
  H     -5.18535796     -1.73284693      1.50720748
  O     -5.19296292     -1.37483008      0.61089843
  H     -2.16727110     -5.07200301      1.14588452
  H     -4.94338297     -0.44712044      0.70889157
          69
 Energy    -250.30456873564668     
  O     13.93433686     14.21879777    -16.97031456
  H     14.65128855     13.60235295    -17.19359733
  H     14.49974474      9.89525436    -16.53429535
  O     17.33706169      8.55043768    -16.57640747
  H     13.58527864     14.54635056    -17.79552114
  H     15.40438296      9.38348750    -18.94002749
  O     14.27552906     10.78382601    -11.58287656
  H     18.08240625      9.06076989    -16.23674949
  H     16.23422193      9.35007020    -17.63203351
  O     18.18899508     14.95123468    -14.73209662
  H     16.88800847      8.15062340    -15.82049552
  H     18.10965136     14.05078677    -13.05247402
  O     15.56600490      7.77367687    -14.48705957
  H     13.86450715     10.27446448    -10.87402996
  H     18.18797513     12.61317883    -12.50656059
  O     13.08697984      8.92149347     -9.84150508
  H     13.64191917     10.80282154    -12.31549728
  H     12.76982615     14.11983082    -13.98763916
  O     14.98519845      7.16539949    -10.69038431
  H     17.25075706     15.17934661    -14.85630192
  H     12.90068717     13.61562158    -15.43057738
  O     15.88192072     11.91673577    -14.55695355
  H     18.67477478     15.77063781    -14.78921041
  H     13.11468488      5.53553573    -13.23988953
  O     12.45815160     10.78686091    -13.70614050
  H     14.93901134      7.15948344    -14.08490917
  H     12.94934714      7.03370537    -12.89208261
  O     16.44286916      9.08826747    -12.19947924
  H     15.03749556      8.48519148    -14.87959942
  H     14.25253565     14.65637212    -12.53430889
  O     18.18370937     10.93431300    -13.26958766
  H     12.85418250      8.82899230     -8.92208882
  H     13.42622429     15.91458126    -12.16803025
  O     14.25659063      9.93728664    -15.60274747
  H     13.76714092      8.25023317    -10.03084580
  H     17.88235608     12.71541959    -16.93959541
  O     15.54945817      9.84530669    -18.11939118
  H     14.57306610      6.72203423    -11.44259088
  H     18.62754551     13.48502693    -15.83933853
  O     17.95485924     13.51992366    -12.26111777
  H     15.66401790      7.73896936    -11.07012499
  H     16.19750608     13.40784729    -12.04023914
  O     12.50430272     13.40398724    -14.57759782
  H     15.51275755     12.51262786    -13.89591985
  H     14.95915844     12.46270735    -11.78230915
  O     13.60487684      6.33655960    -13.07521335
  H     16.71072907     11.58597494    -14.18578565
  H     16.02659730     12.32964683    -16.29840884
  O     13.71232155     15.38031916    -12.90332389
  H     12.34249165     11.71623825    -13.95244793
  H     15.88199794     11.60617203    -17.67078443
  O     18.71328296     12.74090556    -16.44899308
  H     12.94902675     10.38546638    -14.43725673
  H     11.91329695      9.18692394    -12.87469311
  O     15.23620221     13.32035981    -12.12949489
  H     16.19410330      8.60954477    -13.00388665
  H     12.12465116      8.55430394    -11.48394845
  O     16.02287267     12.46912372    -17.26027572
  H     15.72346217      9.70627345    -12.00334843
  H     15.02220662     15.21042724    -15.76195201
  O     11.89901506      8.34590871    -12.39895386
  H     18.70685979     10.57730558    -13.99667748
  H     14.95689882     15.65036812    -14.29361451
  O     15.55642537     15.57405985    -15.04633669
  H     17.72285833     10.20675537    -12.82831016
  H     19.23401949     11.14480241    -15.98468901
  O     19.44186047     10.24429854    -15.67499338
  H     14.80351596     10.63341300    -15.20378962
  H     20.36491932     10.09466962    -15.86230910
          69
 Energy    -250.30395197381270     
  O     11.90257988      9.44133947    -10.80209135
  H     11.45527769     10.23021839    -11.13384135
  H     11.81818897     12.83495485     -9.09900548
  O     12.07031627      7.53166589    -12.81558653
  H     11.95113150      8.79300771    -11.51645744
  H     11.61364117      8.92071334     -7.68218767
  O      8.73016343     10.37258494    -12.95985487
  H     11.49385827      7.90489482    -13.49501165
  H     11.59824974      8.68673399     -9.21058627
  O     14.42047896     10.05617882     -9.97562416
  H     11.63248420      6.77386130    -12.40625784
  H     11.73695536     10.79805248     -5.86080287
  O     15.46635625      7.44713595    -10.16195679
  H      8.50791588      9.91481140    -12.13824564
  H     12.29738472     11.14216846     -7.25657802
  O     12.23466334     15.16702803    -11.11632610
  H      9.26260251      9.77524136    -13.49937727
  H     12.49785149      5.87297024    -10.10145874
  O      8.09530993      9.46649525    -10.30838682
  H     13.53694263      9.83415587    -10.31054027
  H     12.63544517      6.87486377     -8.94198087
  O     12.70899850     13.15334479    -13.08724718
  H     14.91150214      9.22786681     -9.94513532
  H     14.82578922     11.28747417    -11.26128827
  O     14.59485029     13.97236572     -9.94718619
  H     16.19785220      6.97015391     -9.77994782
  H     15.20885817     11.43851685    -12.74672548
  O      9.39227944      7.02286454     -9.68046374
  H     14.65659473      6.96634890     -9.91174757
  H     11.28818765      9.69572411    -14.72338186
  O     14.83016765      7.92079959    -12.90486486
  H     11.73753473     14.59369211    -10.50882946
  H     10.32391743      8.82349242    -15.55854754
  O     11.04851247     13.23309413     -9.52718026
  H     11.84813643     16.03644277    -11.05023134
  H      9.98217991     11.41121839    -12.26534209
  O     11.53046725      8.23525069     -8.35275013
  H      8.56692832     10.05079929     -9.68991096
  H     11.35557705     12.18901856    -12.35018697
  O     11.65702892     10.58261556     -6.78673225
  H      7.16670735      9.56598886    -10.10840623
  H      9.74042183     11.96546493     -8.82156368
  O     13.13582914      6.25073207     -9.48683325
  H     13.49896942     12.75248825    -12.69263962
  H     10.02024908     10.81971823     -7.85831157
  O     14.95812421     11.94207935    -11.96193498
  H     12.54354782     13.96347374    -12.59072460
  H     12.53124165     11.75511995    -14.38478764
  O     10.60385048      9.00388850    -14.66463939
  H     13.91586785     14.53038751    -10.34418601
  H     13.49625292     10.59887967    -14.66662688
  O     10.73189051     11.75070588    -11.75759760
  H     14.89669194     13.38887513    -10.65559054
  H     16.00167785     10.11627300    -14.81597969
  O      9.38900460     11.11857395     -8.52229319
  H      8.88566289      7.79410568     -9.96226642
  H     15.17382754      9.38076304    -13.73354508
  O     12.57686426     10.87330083    -14.77345605
  H     10.03746817      7.36131556     -9.04412808
  H     10.32466562      6.00832930    -10.72352287
  O     15.29761343     10.23616693    -14.18465419
  H     15.13242378      7.72135481    -12.01156978
  H     10.60047972      4.62521190    -11.36165929
  O     10.95432840      5.50562251    -11.27226150
  H     13.88611440      7.71029935    -12.92462570
  H     13.85071874     12.82099655     -8.72983520
  O     13.38270511     12.05404818     -8.36901638
  H     10.87097453     12.70013259    -10.32163863
  H     13.77490654     11.29232388     -8.82059572
          69
 Energy    -250.30391852867484     
  O     12.62143342      9.11033623    -16.52902606
  H     12.85281329     10.03899794    -16.40698874
  H     16.35007063      5.19705819    -14.94270411
  O     16.28062064      6.88365372    -12.31851264
  H     12.05327435      8.85529787    -15.79172226
  H     20.33433668      9.43226675    -11.72589218
  O     15.59080542     11.32234119    -11.24331585
  H     15.36680205      6.74675934    -12.03213418
  H     19.16790389      9.49879578    -12.73929432
  O     18.21306491     12.13852489    -15.04287816
  H     16.64070606      7.55562760    -11.72542355
  H     16.88600612     11.55253594    -16.27048480
  O     14.55062561      5.05708065    -15.60972290
  H     15.18615472     11.24845651    -12.12065079
  H     16.52545315     10.41056003    -17.26062399
  O     13.49371881     10.31885884     -9.74605215
  H     14.87992054     11.15630912    -10.60843372
  H     15.53875629      8.23927393    -15.18171412
  O     13.68599351      6.91578709    -11.34156342
  H     18.79726347     12.84390807    -15.30978590
  H     15.97521785      7.98589173    -13.70587587
  O     14.37938602     10.80404684    -13.64753139
  H     18.07890621     12.23945540    -14.08359807
  H     10.16656259      7.85060078    -14.41164136
  O     18.52908323      7.30899869    -16.26507012
  H     14.62539056      5.90874486    -16.07598502
  H     11.58135679      7.26863152    -14.17999544
  O     14.97084037      7.92454930     -9.01131970
  H     14.34211065      4.40015405    -16.26979770
  H     16.48921674      9.79268556    -10.84107223
  O     18.55496035      9.43048911    -14.40667232
  H     12.97984375     10.00937655    -10.50428812
  H     17.90053008      9.16359122    -10.86264373
  O     17.20849546      5.48610542    -14.61089114
  H     13.86775170      9.52652881     -9.34364720
  H     12.95755399      6.04341150    -12.87290967
  O     19.41456797      9.66832027    -11.81346892
  H     13.28543005      7.74306607    -11.65025762
  H     13.25902191      5.54921834    -14.31513131
  O     16.21033163     11.24110173    -16.88480515
  H     14.01025612      7.09569262    -10.45109400
  H     18.59919963     11.46331031    -12.02535644
  O     15.89121521      8.66361513    -14.39016278
  H     14.93484536     10.06491186    -13.94169583
  H     17.18109812     12.04124643    -11.87981548
  O     11.08620265      8.09296156    -14.34080809
  H     14.06884431     11.25299986    -14.44129738
  H     17.58532886      8.18292890    -17.41746976
  O     16.98670980      8.99593505    -10.60222659
  H     18.11962972      6.60465639    -15.74085009
  H     17.33091470      8.61837460    -18.88075142
  O     12.56769357      5.90765398    -13.74571335
  H     18.77964469      7.99413440    -15.63312627
  H     13.14046561      9.85550587    -12.72263388
  O     18.02745036     12.17819577    -12.32734909
  H     15.26619300      7.61775303     -8.15759363
  H     11.89447930      8.96196254    -12.88781297
  O     16.99856923      8.70875320    -17.99166305
  H     15.75541713      8.26618094     -9.47109572
  H     13.36955170     12.56962582    -16.56157166
  O     12.52149145      9.29411402    -12.23400303
  H     17.62400700      9.15857139    -14.42162127
  H     14.56574575     11.58780895    -16.49245762
  O     13.65645223     11.74597958    -16.17746688
  H     18.57129405     10.34144345    -14.72590959
  H     14.00479665      8.07670887    -16.74167666
  O     14.80048595      7.52106555    -16.72284802
  H     17.02753353      5.84785252    -13.73402627
  H     15.46848030      7.91048290    -17.29899300
          69
 Energy    -250.30360921296131     
  O     -7.56181416     -2.43541547      6.30338395
  H     -8.24512949     -1.78387006      6.50059064
  H     -3.15275536      1.26868376      1.95644237
  O     -9.08509742     -2.68873308      2.14208382
  H     -6.71032242     -2.03535144      6.51753844
  H     -6.64192972     -0.96023469      3.47980424
  O     -7.72736437     -4.12477445      4.20932901
  H     -8.72837857     -3.29762802      2.80122149
  H     -8.06586520     -0.44032858      3.83971045
  O     -5.85465876      0.44302175      0.41422145
  H     -9.51676310     -1.99299450      2.65585939
  H     -4.48701188     -1.30875173      5.91932589
  O     -6.06556934      1.12852341      5.93390809
  H     -7.77875282     -5.02057192      4.53055780
  H     -4.32805149     -1.56703007      7.43681499
  O     -5.35860158      5.10818313      0.80010492
  H     -7.70839690     -3.54590477      4.99359496
  H     -2.37327191      3.28726510      1.62331684
  O     -9.70745299     -0.56051362      6.65715194
  H     -6.20172607     -0.44874176      0.29966469
  H     -1.16141693      2.61819622      0.92823828
  O     -3.81070139     -1.29978304      4.32157453
  H     -6.58028204      0.95802628      0.79873033
  H     -9.74799089      3.08579887      3.91126019
  O     -4.52709860      2.81618806     -0.42594882
  H     -6.45988650      0.71517217      5.14943433
  H     -8.45787574      3.92045458      4.03019449
  O     -9.90344170     -0.65535395      3.87319767
  H     -5.62579193      0.41121984      6.40468486
  H    -11.04204469      2.04294844      1.89825703
  O     -7.04975238     -2.15055108      0.41049192
  H     -5.11966269      4.30321322      0.30687675
  H     -9.54610438      1.78190022      2.19600967
  O     -3.86036320      0.79247790      2.40945684
  H     -5.44710730      5.80764254      0.15829408
  H     -6.07685113     -2.51742519      1.98186250
  O     -7.14396916     -0.17351115      3.72045815
  H     -9.35602948      0.34866091      6.69834086
  H     -6.37963392     -3.21745698      3.33440090
  O     -4.95767874     -1.29891026      6.77321786
  H    -10.34097480     -0.64270674      7.36448573
  H     -7.70427222      1.74270152      6.53756893
  O     -2.10001158      2.53360002      1.06923504
  H     -4.38063085     -1.89650913      3.81532801
  H     -8.89555905      2.55738613      5.98550123
  O     -9.22174753      3.60494668      4.52951799
  H     -3.68774371     -0.53558214      3.74499008
  H     -3.86799794      4.88863380      2.02815821
  O    -10.43509702      1.79463553      2.59106450
  H     -3.63648827      2.68679315     -0.07573478
  H     -3.63489908      4.04492574      3.29511885
  O     -5.78959511     -2.58683179      2.90024371
  H     -4.98321969      1.97402589     -0.30440119
  H     -4.46694210      2.08862424      3.55481701
  O     -8.65221217      1.89454993      6.64690421
  H     -9.98301616     -0.63530156      4.83600153
  H     -5.12674570      2.33812088      4.92794978
  O     -3.17453248      4.51462800      2.58579492
  H    -10.22689058      0.18564164      3.52530772
  H     -7.52117320      1.08315986      2.52882419
  O     -4.75482736      2.78851880      4.15873429
  H     -7.84066605     -2.29190947      0.96170938
  H     -7.48571433      2.60109831      2.17825348
  O     -7.79361834      1.73821967      1.86608591
  H     -7.14477634     -2.71833056     -0.35020109
  H     -6.15426998      3.69066862      3.44289591
  O     -6.87545349      4.09676986      2.93861641
  H     -4.53345508      0.59672939      1.74434177
  H     -6.46064606      4.57534400      2.21016100
          69
 Energy    -250.30302470061469     
  O     14.95843369     10.91827844    -15.90946789
  H     14.17295918     10.91587899    -15.35365929
  H     19.64583365      4.98650691    -12.45263977
  O     16.40502287      4.70004601    -13.79443930
  H     15.55215485     10.25871896    -15.51500207
  H     18.12827959     11.24672569    -17.07471421
  O     18.19796675     13.31454709    -10.70397538
  H     16.49129995      4.72917382    -14.75588379
  H     18.97807849     11.02334838    -18.34668004
  O     19.27838961      8.98399363    -15.51088510
  H     17.27595323      4.91108676    -13.43664298
  H     17.51436919      8.94790140    -14.95828596
  O     15.30116692      7.38639612    -16.68484690
  H     17.53780293     12.73986510    -10.27465671
  H     16.39837263      8.66278460    -13.88884603
  O     18.44442642      9.42136131     -9.13473776
  H     18.08561916     14.18816260    -10.34012694
  H     13.04085516      9.46279015    -14.20398107
  O     15.95252327      8.21603210    -12.16756483
  H     19.10770364      9.44415439    -16.34195721
  H     12.03230959     10.60340178    -13.93884257
  O     17.47899124     12.01187432    -13.10539728
  H     19.32361299      8.03019441    -15.67716505
  H     18.55836642      8.22935950    -10.55552096
  O     19.16659975      6.26271908    -15.64465667
  H     15.76875135      7.82689157    -15.95707196
  H     18.92114477      8.56763722    -12.02193575
  O     14.33613020      6.00721510    -12.69490857
  H     15.36751066      8.00923980    -17.42207914
  H     13.81167780      7.60693382    -15.47180334
  O     16.72536021      5.07603043    -16.57643157
  H     18.70161969      9.32299881     -8.22157564
  H     13.55882541      7.14370174    -14.02308911
  O     18.96910163      5.52013539    -12.86319301
  H     19.07625596     10.04477945     -9.53849267
  H     20.04263011     10.77952285    -11.37943845
  O     18.46865336     10.56515461    -17.68313141
  H     15.40187454      7.42665427    -12.24035917
  H     19.57696531     11.99116816    -10.54511367
  O     16.56235509      8.91487350    -14.80466781
  H     16.82624448      7.96800395    -11.84084557
  H     18.71468046     10.68107029    -13.04765233
  O     12.96423381     10.40271425    -13.95937969
  H     17.74759987     12.59548845    -12.38513067
  H     19.54581476      9.67145186    -13.88039301
  O     18.60585299      7.85430505    -11.44403365
  H     16.62463978     11.63444363    -12.85412204
  H     16.95589228     10.69384993     -9.50953169
  O     13.28283546      7.78880287    -14.68499041
  H     18.39968857      5.83780492    -16.04694606
  H     15.86825861     11.25701855    -10.46470177
  O     20.04731705     11.14975491    -10.48607426
  H     19.17297328      5.98125440    -14.72173526
  H     14.32840601     10.81524550    -12.68721018
  O     19.39511663      9.99534892    -12.98159156
  H     15.04652464      5.47824214    -13.10179460
  H     15.38356562      9.87967199    -12.06864754
  O     16.44674956     11.48397052     -9.72362836
  H     13.81508973      5.41048835    -12.16474217
  H     17.52920269     12.31647293    -14.97226190
  O     15.11305634     10.80938322    -12.12754307
  H     16.17000455      5.86703146    -16.68973008
  H     16.43619754     12.03385838    -16.00354985
  O     17.35969233     12.31194177    -15.92250206
  H     16.58079078      4.52518335    -17.34110727
  H     15.32480305     10.13897621    -17.61834897
  O     15.76702760      9.58642448    -18.27812176
  H     18.87987525      6.31948507    -12.31959405
  H     16.69867398      9.82825819    -18.21768353
          69
 Energy    -250.30301606568759     
  O     -3.41802445      5.23920044      2.87081552
  H     -3.27410903      6.13129222      2.51290531
  H      0.45025045      3.64292836      2.93868711
  O      1.84045335     10.10311934      0.72940003
  H     -4.10744387      5.31644790      3.52562612
  H      0.01872214      6.35858096     -2.80665067
  O     -0.28071539      7.97664086     -1.87105314
  H      1.23028989     10.41720571      0.05054176
  H     -0.67584473      5.24986221     -3.65983965
  O      0.44566325     10.25006920      3.05240993
  H      1.93007923      9.15248945      0.57151081
  H     -2.94073995      2.41918892     -2.59648413
  O     -1.79309833     10.36837891      1.26479480
  H     -0.24822547      8.93175509     -1.73762564
  H     -1.46416819      1.95964587     -2.71871892
  O      1.48377673      7.36115574      0.25854777
  H     -1.15292501      7.69418210     -1.55727982
  H      1.19647402      2.66389936     -1.97256917
  O     -2.59929263      6.88111037     -0.81826329
  H      0.84494275     10.81525003      3.70743239
  H      1.31158768      4.10443710     -2.51763185
  O     -2.72476272      7.67763084      1.78569971
  H      1.02856194     10.26534850      2.27102782
  H     -0.31954837      5.82855630      3.21737363
  O     -0.87229018      4.77865773     -0.45336122
  H     -2.29822463      9.56861369      1.45030252
  H     -1.55844803      4.92540956      3.34334336
  O     -2.85876838      3.39001184      0.81009745
  H     -1.13007892     10.42942208      1.96465105
  H     -5.12799834      2.36759258     -1.22914179
  O     -0.73671931      1.51197712      0.89946479
  H      0.91726480      7.48420146     -0.51464389
  H     -3.88764772      3.02707022     -0.58276410
  O      1.04257972      2.95360042      2.58577446
  H      1.73975992      6.42905276      0.29651548
  H     -2.25190642      4.50091404     -5.54297163
  O      0.03293616      5.41745153     -3.02528273
  H     -3.22327622      6.51742191     -1.46232873
  H     -2.14153363      3.77440230     -4.17812804
  O     -2.19572634      2.35647079     -3.20717332
  H     -1.99978065      6.15475919     -0.58776355
  H      1.92541453      4.15036753     -0.38236276
  O      1.78203077      3.43072931     -2.00807981
  H     -1.79156764      7.62532681      2.04313220
  H      1.69794683      4.00289271      1.16680309
  O     -0.59869096      4.92470580      3.42011636
  H     -2.77471700      7.47033471      0.83900423
  H     -4.28487984      4.62842344     -2.26034228
  O     -4.34955203      2.88249716     -1.42557046
  H     -0.64982085      4.84142747     -1.39229659
  H     -3.49082317      5.29752835     -3.39619736
  O     -2.14331090      4.65056027     -4.60791339
  H     -0.02679810      4.74207124      0.00940334
  H      0.13048597      8.40138085      2.91745028
  O      1.78634036      4.63669343      0.44616488
  H     -2.13371017      3.85044442      0.35576374
  H      0.48866508      7.43755477      1.76024171
  O     -4.07353918      5.48563788     -2.64983610
  H     -3.13624248      3.95967821      1.53684261
  H      0.24000248      0.35265964     -1.86200486
  O     -0.04595012      7.52163236      2.56328625
  H     -1.55393865      2.01832015      0.98781048
  H     -0.28631049      1.31956722     -0.77817634
  O     -0.05365375      1.24947401     -1.72041716
  H     -0.10244335      1.92251359      1.50050502
  H     -0.61030450     11.47238590     -1.48321896
  O     -0.35184424     10.66914560     -1.03900418
  H      1.55147611      2.62457097      3.32187017
  H     -0.93158773     10.58062107     -0.26146629
          69
 Energy    -250.30297997337001     
  O      0.40371006      2.63962807      0.42032917
  H      1.15957851      3.09955439      0.06406829
  H     -2.40949827      3.09660137     -1.39300266
  O     -1.63278661      0.20796859      3.01742291
  H     -0.29916173      2.69290120     -0.25386739
  H     -5.39571912      3.23653910      3.92680041
  O     -4.55602272      0.13128665     -0.41526756
  H     -1.40508211      0.80191991      3.74165190
  H     -5.12512002      4.13107478      2.70136546
  O     -1.64437275     -2.93690670     -1.95880930
  H     -2.31509721      0.67262307      2.50301277
  H     -4.22803555      4.78249684     -1.87901606
  O     -0.08528648     -0.11245068      0.77555402
  H     -4.80187022     -0.66841715      0.06877011
  H     -4.75310730      3.55527979     -1.09580278
  O     -5.40418225     -0.78301843      5.00466206
  H     -3.67920113     -0.01529246     -0.79511020
  H     -6.89335674      2.79540461      2.29168073
  O     -6.81645305     -0.40591306      2.75439372
  H     -1.01946025     -2.97953108     -1.21153747
  H     -8.33063616      2.49356185      1.81243619
  O     -1.58767441      2.31376931      4.86971239
  H     -1.24501475     -3.41397285     -2.68121329
  H     -2.74813740      4.31211793      1.85220100
  O     -1.97263045     -0.21543598     -1.32348660
  H     -0.56432162     -0.08284257      1.61649049
  H     -3.70806032      4.39966355      0.60930164
  O     -5.09900142     -2.02843670      1.20219946
  H      0.24783043      0.78271058      0.63646602
  H     -5.58089843      1.56743372     -0.77769871
  O     -1.92451711     -3.96604278      2.20799505
  H     -5.98126641     -0.64369252      4.22947362
  H     -6.55737961      2.41553548      0.05286053
  O     -1.58406924      2.59802317     -1.40064286
  H     -5.95210078     -1.14889468      5.69340008
  H     -3.99303105     -1.63305391      4.08174653
  O     -5.83215558      3.79215745      3.27022333
  H     -6.41333059     -0.97395335      2.08502544
  H     -2.69317614     -1.20584848      3.34725819
  O     -3.97977451      4.13438323     -1.22532816
  H     -7.01760797      0.44056547      2.33817895
  H     -0.55230951      3.45134249      1.86884846
  O     -7.42523941      2.20235781      1.73273698
  H     -1.34975369      2.59919876      5.74800763
  H     -1.16756950      3.40421150      3.29318483
  O     -3.67525064      4.29820045      1.56798090
  H     -2.55272956      2.19326033      4.86551373
  H     -4.66728831      0.94371070      4.86845465
  O     -6.01431031      2.43324626     -0.74353582
  H     -1.34086508     -0.19160808     -0.59080025
  H     -4.18758122      1.64946536      3.58266478
  O     -3.33045892     -1.92859210      3.44583379
  H     -1.90878350     -1.09964778     -1.70476355
  H     -3.07121520     -3.62874868     -0.84545432
  O     -1.12633238      3.92498203      2.48335433
  H     -4.75068779     -2.75012414      0.65814477
  H     -3.04600900     -4.08980806      0.62050985
  O     -4.27636651      1.76290533      4.54301545
  H     -4.50441378     -1.96261933      1.96066656
  H     -0.62382887     -3.24670137      0.99793294
  O     -3.63783194     -3.93048471     -0.12542230
  H     -2.42040884     -3.30247427      2.71391765
  H      0.06294078     -1.95633157      0.48241532
  O     -0.10080075     -2.88562045      0.27149348
  H     -1.77561564     -4.70171200      2.79759695
  H     -4.06259146      1.07784973      1.06249288
  O     -3.69507242      1.51712295      1.83805131
  H     -1.80736701      1.67234947     -1.56055275
  H     -3.68054729      2.46718338      1.66339681
          69
 Energy    -250.30282472816569     
  O     13.38035074      6.76014465    -15.94006424
  H     13.15241800      7.66643920    -15.70437471
  H     12.67926044      3.48294190    -12.35592806
  O     11.66106286      8.90015632    -10.13542965
  H     14.30819380      6.64397775    -15.69440651
  H     13.04727718      5.56958542    -12.28861531
  O     16.49383958      5.80247584    -10.54544726
  H     11.40384901      8.96628806    -11.06149902
  H     12.45297856      6.35316084    -11.08336943
  O     11.64630474      3.05192915    -10.98423999
  H     11.33748570      8.03248266     -9.84923579
  H     13.61507578      9.11274004    -14.15701799
  O     14.12874926      8.81625542     -8.96892841
  H     17.43821417      5.61318203    -10.47999583
  H     13.17635024     10.25996189    -15.09824065
  O     18.67870797      7.14861305    -14.55677851
  H     16.41471655      6.75942128    -10.66681005
  H     19.98854174      5.00658386    -10.37680726
  O     15.91050402      4.49500143    -12.95444462
  H     11.98095665      3.31102741    -10.11674953
  H     19.15883366      5.05464176    -11.68390003
  O      9.30994172      4.68493612    -11.26254831
  H     10.79379166      3.49480668    -11.08233197
  H     14.10966219      7.61992287    -12.57665368
  O     18.77791615      8.03841841    -11.98545344
  H     13.27210903      8.90288592     -9.42196426
  H     15.20296349      7.69133856    -13.68056566
  O     12.49444836      4.15093836     -8.46198072
  H     14.08714468      9.38901277     -8.20673446
  H     15.18679974      5.78135415     -9.26090028
  O     11.08252390      6.22065197     -9.72206186
  H     18.72187143      7.53916642    -13.66551736
  H     14.31587361      6.91107773     -8.67592168
  O     13.22326294      3.90831489    -13.03672500
  H     19.35837592      7.57058793    -15.07525993
  H     15.61102315      8.76793365    -10.12586734
  O     12.95008332      6.44977293    -11.90386990
  H     15.01013832      4.14479710    -12.99279789
  H     15.74312382      8.59708731    -11.65365317
  O     12.94117287      9.38362015    -14.80459440
  H     16.01949235      4.91811457    -12.09080756
  H     18.78204266      5.33114553    -13.85765638
  O     19.27180394      5.46408915    -10.80681525
  H      8.38409606      4.47798067    -11.17089895
  H     17.76482710      4.33742527    -13.26250578
  O     14.70182887      8.22671959    -13.04877332
  H      9.41729510      5.11234906    -12.13137302
  H     11.72692065      7.61413350    -12.62176496
  O     14.46703421      5.95998963     -8.64065542
  H     19.05554801      7.26111714    -11.48441061
  H     11.57658386      8.77463550    -13.62993628
  O     16.24957359      8.58886284    -10.82701502
  H     17.99389129      8.38036352    -11.53680340
  H     15.92436818      5.76563652    -14.22534002
  O     18.70875061      4.54664098    -13.30044327
  H     12.50671204      3.73204986     -7.60591670
  H     16.89113185      6.78606597    -14.88165182
  O     11.11429518      8.30112917    -12.92823998
  H     13.26097650      4.75291484     -8.49029359
  H     12.30188071      5.46206422    -15.55018785
  O     15.96267918      6.52984218    -14.82078259
  H     11.49514434      5.55252178     -9.16060513
  H     11.50359603      4.24041232    -16.06199296
  O     11.71795097      4.73300664    -15.27384677
  H     10.38726448      5.76724822    -10.21695285
  H     10.05362672      6.83822996    -13.45727547
  O      9.73882812      5.93732126    -13.60851819
  H     12.67844665      4.05772906    -13.81903794
  H     10.36450326      5.52767232    -14.21847628
          69
 Energy    -250.30252902670145     
  O     -5.95072733      0.76404443      0.95828030
  H     -5.53346587      1.50023067      0.48692433
  H     -1.63913644      3.62023470      3.30997852
  O     -6.35256380      0.27787764     -3.68053296
  H     -6.54844089      0.33971661      0.32700025
  H     -2.30251571      5.30139336     -0.22752750
  O     -4.80989481      1.60878339      3.38233293
  H     -6.87024547      0.21041042     -4.47849924
  H     -1.38389027      6.27451320     -1.00379859
  O      0.50795021     -0.89597075      1.19257310
  H     -5.76009296     -0.49628297     -3.66244513
  H     -3.70518254      2.36730476      0.02282419
  O     -1.91241588     -1.03091174     -0.25247188
  H     -4.40728406      0.78946256      3.68841867
  H     -4.48844027      2.46826702     -1.30631030
  O     -4.60169292     -1.77342962     -3.38309332
  H     -5.34739991      1.36570449      2.61633919
  H      0.75373594      1.11008448     -1.46439095
  O     -4.22402196     -1.37715490      1.26718515
  H      1.26514792     -1.46511687      1.29568428
  H      0.82845366      1.95203395     -0.17201045
  O     -2.26392625     -0.29519388     -2.85610326
  H      0.76728361     -0.19219782      0.56755929
  H     -0.41564885      4.15921406      0.07692883
  O     -4.10789244      1.83847203     -2.96588181
  H     -2.67369991     -1.21639307      0.31458857
  H     -0.16259839      3.50642912      1.47855744
  O      0.01216775      1.34379089     -3.19414445
  H     -1.10492523     -1.16529356      0.25844251
  H     -5.58755373     -3.70709207     -0.57061242
  O     -1.23435305      0.50656899      2.91592628
  H     -3.72551084     -1.37177192     -3.30619827
  H     -4.95211421     -2.40397355     -0.04344234
  O     -0.72619134      3.32731494      3.18710910
  H     -4.78042138     -2.20872042     -2.54039699
  H     -2.55676556     -0.39472604      3.64936958
  O     -1.53038638      5.35060821     -0.81954439
  H     -4.80205749     -0.60893845      1.13649725
  H     -3.22006070     -1.24910306      4.75799782
  O     -4.53115289      2.69644325     -0.36894162
  H     -3.97276841     -1.37080641      2.19808040
  H     -2.01450937      0.81360168      0.12137831
  O      1.03646231      1.08218920     -0.54291485
  H     -1.44806602      0.16152193     -3.09280701
  H     -1.43456604      2.23548651      0.43603689
  O     -0.00833341      3.40865727      0.52624264
  H     -2.13170706     -0.63563280     -1.95837941
  H     -4.13997063      4.33117447      0.35472622
  O     -5.37347279     -2.81020093     -0.81728081
  H     -3.48363252      1.10029174     -2.90932039
  H     -3.59221585      4.76968212      1.72450847
  O     -3.37544742     -0.85577356      3.90350364
  H     -4.93692737      1.46027467     -3.28294898
  H     -7.04441182     -0.20912762     -1.93683171
  O     -2.19579257      1.65310721      0.56192747
  H      0.54922725      1.48740545     -3.96901314
  H     -6.73821943     -1.42009271     -1.04181375
  O     -3.66239349      5.04439426      0.80273424
  H     -0.55576338      2.13058743     -3.09802011
  H     -3.84965444      4.48326919      4.18251873
  O     -7.22814364     -0.58959442     -1.06920560
  H     -1.69396704      0.98532919      2.20821017
  H     -3.96678074      3.14675852      3.42104458
  O     -3.48297266      3.99041618      3.45218815
  H     -0.53815667      0.00127587      2.47730239
  H     -2.61734659      3.05502452     -2.97555817
  O     -1.71657574      3.39506153     -2.90516835
  H     -0.73963580      2.37619618      3.34527799
  H     -1.71839190      4.08263278     -2.22937542
          69
 Energy    -250.30206615505887     
  O     10.61006149      9.26455399    -14.38957824
  H     10.65812285      8.31546510    -14.56185439
  H     14.73219540      5.59103928     -8.16146320
  O     15.27169571     10.74495946    -10.97358195
  H     10.46484076      9.36458279    -13.44074811
  H     13.86533767      8.09978570    -10.16279447
  O     15.60165487      5.47422925    -13.55500729
  H     15.11217759      9.90821212    -10.50333690
  H     14.98254687      7.68440390     -9.15845144
  O     15.63170161      3.16228830    -10.07517311
  H     15.72699934     11.31973118    -10.36316627
  H     13.52850713      3.23268665    -13.10630159
  O     16.49959010      9.38057885    -13.17018068
  H     16.07584401      5.97454212    -12.87606290
  H     13.38762617      4.05359419    -11.79729829
  O     14.68263519      8.96957732    -15.18319601
  H     15.16523175      4.72939754    -13.12022333
  H     13.81467304      7.97267970    -13.93375388
  O     12.76197514     11.26700831    -12.19478788
  H     15.17863449      3.13938001    -10.92806789
  H     14.14854955      6.58452711    -13.36757300
  O     12.46504323      2.88588999    -14.61305544
  H     14.94267827      3.36490397     -9.42936354
  H      9.95040888     10.29899155    -11.09095122
  O     13.49066301      4.15831851     -8.47504371
  H     16.14657258      9.95859870    -12.48275980
  H     11.36130197     10.37054093    -11.72831345
  O     12.66554204     10.91782991    -15.03131291
  H     16.75389068      8.56902940    -12.71396465
  H     15.29569618      5.94117601    -15.33125293
  O     17.51708601      5.07301252     -9.68416432
  H     15.39341015      9.18752955    -14.55890659
  H     14.84812171      7.25953127    -15.98559325
  O     15.40358173      6.28432335     -8.14400100
  H     14.07771325      9.71959763    -15.22693365
  H     15.99404127      7.45946296    -11.01458004
  O     14.76587474      8.30084034     -9.87299835
  H     12.86390752     11.24769655    -13.15420407
  H     17.11012336      6.39562306    -10.93553540
  O     14.01736032      3.56021046    -12.34179485
  H     13.63780640     11.14057833    -11.81053936
  H     12.46072969      4.86358178    -17.48053242
  O     13.48566029      7.28560081    -13.33922752
  H     12.54483611      3.56186879    -15.30452042
  H     13.45355978      5.40986102    -16.42889915
  O     10.60102492      9.78293693    -11.55897542
  H     12.40538901      2.04417776    -15.05911362
  H     12.73365755      7.56605566    -11.80758564
  O     14.88760281      6.30475840    -16.12993122
  H     12.91156636      3.76572367     -7.82664116
  H     11.62444416      8.33395928    -11.03966449
  O     16.68660328      7.02589497    -11.53203548
  H     12.93442857      4.39839966     -9.23540036
  H     11.97528580      6.77662117    -14.16327883
  O     12.62694195      4.90500861    -16.54257051
  H     12.37895919     11.58713143    -15.64706664
  H     11.51344917      6.02203766    -15.41805454
  O     12.30223121      7.65530975    -10.94099422
  H     11.90188158     10.33201697    -14.87719326
  H     11.07757676      3.69425615    -13.46544939
  O     11.18334892      6.51662132    -14.65975665
  H     16.90570190      4.33586412     -9.86244539
  H     10.60684854      5.14662449    -13.46976085
  O     10.59403758      4.33960071    -12.93744268
  H     18.34773518      4.68490151     -9.42318454
  H     11.46236015      4.65841568    -11.39704884
  O     12.11721233      4.90857656    -10.72861221
  H     16.19695232      5.89336735     -8.53060900
  H     12.14454498      5.87569089    -10.71564152
          69
 Energy    -250.30206102561783     
  O     11.79298451      9.63511742    -14.39114579
  H     11.87495422     10.50516648    -13.98421623
  H     13.88535468     12.88690339    -16.12942599
  O     16.86945695     10.94835710    -10.82071690
  H     12.34170380      9.66077033    -15.18772952
  H     16.42993402      9.91977434    -14.26495313
  O     16.76127906     13.51936181    -15.04879221
  H     15.94847774     10.98144467    -11.11666089
  H     15.35290320      8.79565524    -14.18794308
  O     15.52635259      7.63869867    -16.81312337
  H     16.86652926     10.73682849     -9.87931755
  H     11.55997074      6.73796959    -13.21249154
  O     15.03468885      7.99733734     -8.42033406
  H     17.15507369     14.37557905    -15.19746512
  H     12.07086577      8.15466900    -13.57072992
  O     16.04897572      6.75539537    -11.61448603
  H     17.18990092     13.15453052    -14.25507839
  H     18.70911023      8.19353692    -10.13319700
  O     14.34341601     10.79347970    -11.95207971
  H     15.38013761      7.19605219    -15.96664376
  H     18.21081585      8.70284099     -8.76890915
  O     16.75321710     11.69797540    -17.26250796
  H     14.82273653      8.29930514    -16.87256008
  H     14.01499985      7.00585062    -13.88580711
  O     16.89989207      5.89967548     -9.07921100
  H     14.47100363      8.08293978     -9.20107550
  H     15.43403045      6.72151203    -13.34051453
  O     17.86654750      9.02583921    -16.91993304
  H     15.54869586      7.19006514     -8.54516163
  H     17.67997656     12.03528930    -12.13894571
  O     18.29787010      9.96988434    -14.33115892
  H     15.28903392      7.29734389    -11.35334728
  H     18.28394953     11.57637230    -13.47808941
  O     13.95820490     13.15734870    -15.20681835
  H     16.33706400      6.29020090    -10.82012673
  H     17.40827336      7.97112438    -11.87134416
  O     15.48153525      9.75462732    -14.20482315
  H     14.74559319     10.45671984    -12.76956550
  H     17.68458478      9.46602609    -11.55626595
  O     12.31211585      7.31804955    -13.13215366
  H     13.61682490     11.36145043    -12.23182414
  H     16.16930317      9.31180541     -8.21339298
  O     18.66610721      7.96584992     -9.19533762
  H     16.89735133     12.23668127    -16.47379670
  H     16.83151866     10.39235673     -7.32430596
  O     14.94816810      6.98030509    -14.13543264
  H     17.18052466     10.84692799    -17.11896909
  H     14.03482686     12.43382277    -18.75399538
  O     18.02346751     12.36443733    -12.97814878
  H     17.60625184      6.57081753     -9.06544798
  H     15.11631056     11.97450260    -17.74324196
  O     18.08856759      8.65730468    -11.90656650
  H     17.24217064      5.12821179     -8.63671050
  H     13.18639615      7.89183223    -11.57613271
  O     16.87783048      9.97947958     -8.18234243
  H     18.41829919      8.66385809    -17.60834812
  H     13.94471000      9.19021089    -11.21111217
  O     14.15866491     12.11539608    -17.86474122
  H     17.05022958      8.49602175    -16.90963816
  H     12.90082098     12.58667183    -13.96769048
  O     13.80153603      8.27277400    -10.93728631
  H     18.31692862      9.50961597    -15.17874735
  H     11.69869857     12.90435207    -13.04740230
  O     12.32879087     12.22360055    -13.26667844
  H     18.38967770      9.33434130    -13.60633211
  H     14.35988786      9.93530186    -15.67906740
  O     13.72731661      9.77564442    -16.39670450
  H     14.89972198     13.31205900    -15.05718609
  H     13.77277503     10.54027086    -16.98307902
          69
 Energy    -250.30170594301870     
  O     11.16248431     11.29775787    -13.41165309
  H     10.98344152     10.76769792    -14.21081764
  H     18.89944707     13.43992754    -14.28377656
  O     18.47805663     11.11423807    -11.73691352
  H     10.34408893     11.72899184    -13.18019734
  H     12.40466632     11.37020195    -17.74476771
  O     15.02274198      9.85682933    -11.90832195
  H     18.55568930     11.62490907    -12.55158489
  H     11.24987913     11.01401107    -18.71229772
  O     10.80646141      9.70379360    -15.55190756
  H     17.71431389     11.47872743    -11.27330198
  H     16.02901919     10.40771133    -14.95217026
  O     14.36895979      7.98964690    -15.92578246
  H     15.11540016     10.02846287    -12.85818160
  H     14.80568519      9.46704424    -15.06920918
  O     15.83651708      6.40579021    -14.25511149
  H     15.45966288      9.01197602    -11.73623859
  H     13.59283971     12.63032148    -16.25603160
  O     18.79586187      8.42660362    -11.79031237
  H     11.13496783      9.95003825    -16.42566896
  H     14.49509522     12.15905063    -17.42703004
  O     13.58037127     12.46948081    -14.38970730
  H     11.12069373      8.81157455    -15.36214010
  H     14.43690820      6.81229450    -11.15564748
  O     18.14476682      8.16023582    -14.57403436
  H     14.27792588      8.26678101    -16.84805226
  H     13.00904616      7.37002033    -11.37359276
  O     16.19386019      7.37863697    -11.66103339
  H     13.49686486      7.78377590    -15.56383489
  H     15.89287638     13.13701777    -12.30113413
  O     16.08558387     11.21823895    -17.98821146
  H     15.41461793      6.97587271    -14.91713110
  H     15.07998925     13.27850622    -13.60849971
  O     18.34705092     12.67913545    -14.12439531
  H     15.16068281      5.75402933    -14.03541978
  H     15.57835622     11.28512479    -11.07232582
  O     11.80620976     10.65431749    -18.02622939
  H     18.70577993      9.39505826    -11.74190931
  H     15.62601792     12.23085719     -9.84722071
  O     15.14656809     10.24091884    -14.60034383
  H     19.63336872      8.20781357    -11.39051776
  H     13.29222483      9.35762449    -12.06057289
  O     13.61606745     12.49449500    -17.21238723
  H     12.73973423     12.19253558    -14.00806123
  H     11.88336346      9.79865937    -12.49445893
  O     13.50508869      6.55922252    -11.20552780
  H     14.10732011     11.66064775    -14.49719920
  H     17.99676619     11.26970995    -15.25678688
  O     15.93463256     13.47628071    -13.20405805
  H     18.45390151      8.22599947    -13.66227194
  H     17.90403954      9.70692792    -15.43237761
  O     15.99532406     12.08907733    -10.71459964
  H     17.48447041      7.45795550    -14.57470413
  H     12.18195695      7.93360262    -13.69834242
  O     12.39587674      9.02854111    -12.22021346
  H     16.09448421      7.04234649    -12.56488996
  H     12.39120818      6.50475229    -14.25004784
  O     17.62905406     10.56117814    -15.80084010
  H     17.11761795      7.64392156    -11.56921327
  H     13.40429764      5.50320299    -12.60637152
  O     12.08375500      7.38654357    -14.49229406
  H     16.65005816     11.53200697    -18.69115018
  H     13.13072001      4.15838842    -13.32088314
  O     13.40535822      5.05866252    -13.47321770
  H     16.67314019     10.96285350    -17.25860271
  H     13.31890301      9.56653925    -18.38011772
  O     14.16725436      9.10496385    -18.39640984
  H     17.47468336     13.01809187    -13.85106282
  H     14.84519780      9.79093623    -18.34982795
          69
 Energy    -250.30152496666807     
  O     15.52521118     11.23933437    -16.27546040
  H     14.85867069     11.38774943    -15.58940982
  H     18.70693219      5.24372551    -13.06294712
  O     15.52223259      5.83217980    -13.81078769
  H     15.21735921     10.45247845    -16.74104567
  H     18.43532844      6.21463759    -16.94770111
  O     18.56335636      8.25652417    -11.62380567
  H     15.88194942      6.59336562    -14.29324796
  H     17.34570562      6.98931041    -17.72075244
  O     15.53000105      6.42813916    -18.23143235
  H     16.13505143      5.66718727    -13.08172464
  H     15.77555632      8.36307323    -15.69385849
  O     14.91464419      9.66473373     -9.36964606
  H     19.36852331      8.10229591    -12.13288181
  H     17.18317895      7.71903873    -15.73562057
  O     13.55838824      7.46333068    -12.75711623
  H     18.06393149      8.91222930    -12.13138944
  H     13.86199905     10.92083404    -13.48235463
  O     17.17922733      9.92870989    -13.31565773
  H     15.56652379      5.72617544    -17.55633778
  H     13.01609666     10.38199440    -14.63695466
  O     18.70251870      4.50887953    -16.27827047
  H     15.30009721      6.00670677    -19.05520226
  H     16.31009202      5.11370867     -8.47606590
  O     13.81744530      7.08166394    -10.05156061
  H     14.53897140     10.40452859     -8.89960788
  H     16.61070248      6.49433332     -9.11086053
  O     19.66465943      9.01977698    -15.75980757
  H     14.84055882      9.86859164    -10.31789433
  H     11.49095234      8.32064862    -15.07184005
  O     15.84982784      4.56374590    -16.29363359
  H     14.18003303      6.82072733    -13.12728022
  H     12.75333066      8.11700584    -14.20895365
  O     19.34894760      5.25135741    -13.78424294
  H     13.50107560      7.27568410    -11.80860606
  H     20.28091472      8.25652659    -14.31564398
  O     18.15432114      7.10359595    -17.20708487
  H     17.56436888     10.61273442    -13.87413519
  H     21.54530566      7.94195276    -13.48404290
  O     16.48875854      8.02128025    -15.13742518
  H     16.93940092      9.21334201    -13.92729711
  H     17.00150339      5.50506460    -10.93929777
  O     13.50279455     11.16131210    -14.34547383
  H     19.28908705      3.81131797    -16.55721268
  H     17.76788184      6.59575725    -11.72494207
  O     16.18295816      5.63166350     -9.26622584
  H     18.94567457      4.73005527    -15.36051577
  H     17.82344561      8.25400976     -9.88303615
  O     12.42417370      8.51578956    -15.03197442
  H     14.52022273      6.47041365     -9.79957858
  H     16.54510877      8.72635152     -9.14191018
  O     20.60415136      7.79272336    -13.52272167
  H     14.08039439      7.93581328     -9.68748727
  H     14.35718580      9.09223407    -12.33730510
  O     17.41320869      5.69694226    -11.79021641
  H     19.15203766      9.83731772    -15.73949581
  H     15.60362366     10.01821438    -12.48274881
  O     17.28128393      8.10249912     -9.09761592
  H     19.25097239      8.44468838    -16.41564446
  H     18.42040697     12.29919884    -15.69693870
  O     14.72842556      9.94624606    -12.07453276
  H     16.80153978      4.40060445    -16.27713994
  H     17.18861826     11.37540287    -15.83144715
  O     18.10458534     11.42169528    -15.49999544
  H     15.61808539      4.85458057    -15.40131746
  H     13.70773593      8.54583193    -16.40911701
  O     14.49671964      8.70345450    -16.94463705
  H     19.84484846      6.07470734    -13.69689131
  H     14.69785623      7.90799464    -17.45413068
          69
 Energy    -250.30150374948192     
  O     10.97607828      9.30069547    -12.69188826
  H     10.05449565      9.14239125    -12.50623169
  H     15.31995807      8.62914530    -17.50088888
  O     16.65366476      7.82184979    -14.95508271
  H     11.46753916      8.54124028    -12.33016406
  H     18.13504572      8.84168536    -15.26002815
  O     16.93851485     11.00685350     -9.54532164
  H     16.27371797      7.65191550    -15.82554272
  H     19.26149157      9.53276740    -14.48228735
  O     16.39276872     12.08399562    -14.05305329
  H     16.10440472      8.50503892    -14.53595022
  H     13.26420455     12.60534726    -13.42552144
  O     13.27864465      6.80389414    -15.82437405
  H     17.39917549     11.22753380    -10.37725448
  H     14.65107471     12.87443317    -14.07208472
  O     17.17728274      8.29609877     -9.00160178
  H     16.90059065     11.80749397     -9.02938930
  H     14.18161014      9.58030234    -14.16223361
  O     16.08651936      6.28380046    -12.73810211
  H     16.84181047     12.08257335    -14.90715827
  H     14.91944803      9.82147516    -12.80903181
  O     14.66525181     10.15180446    -11.03246351
  H     15.92398126     11.23668074    -13.99787599
  H     12.70405384      6.50661631    -12.43217220
  O     17.63231947     11.61622387    -16.53510387
  H     13.96640426      6.98176226    -16.47626067
  H     13.14510305      7.25713540    -11.17189664
  O     18.37286784      7.44388174    -11.47370707
  H     12.93714141      7.67274426    -15.56844278
  H     13.25472263      4.42336255    -13.78528141
  O     15.23654182     10.35261681    -17.42694156
  H     17.13095570      9.25710385     -9.13338677
  H     13.48022034      5.80804395    -14.43829545
  O     15.41481581      7.65918571    -17.47501184
  H     17.50749716      8.15336233     -8.11793940
  H     18.70697993     10.87373020    -12.20370811
  O     18.82646702      9.51364546    -15.34246633
  H     16.34996533      6.77306381    -13.53216605
  H     17.54368883     11.81151457    -12.63081545
  O     13.70223943     12.99974564    -14.19470520
  H     15.28649142      5.80523374    -12.98963795
  H     19.29891495      8.68436380    -12.28505875
  O     15.05196865      9.67886589    -13.75508374
  H     14.64820411      9.21183086    -10.80551771
  H     20.70932661      9.29410626    -12.44440186
  O     12.41515423      7.17398291    -11.79742906
  H     15.39001982     10.54211685    -10.53221010
  H     13.19840666     12.24176118    -15.64001760
  O     13.58396936      5.30106612    -13.61201098
  H     18.25585270     12.10446932    -17.06539340
  H     12.37074113     12.28907038    -16.94767906
  O     18.09020155     11.54178846    -11.88080193
  H     18.11963099     10.86850153    -16.14200205
  H     15.32434985      7.06269600    -11.26553522
  O     19.79485267      9.42139371    -12.68347511
  H     18.03057764      7.68067101    -10.60390294
  H     15.60986581      7.60174191     -9.84192445
  O     12.93020543     11.72441420    -16.42206620
  H     17.68304581      6.92152896    -11.90105842
  H     11.88717159     10.94148583    -12.24062782
  O     14.90467432      7.44802642    -10.48121676
  H     14.47523416     10.85862262    -17.12000949
  H     13.24877442     11.20391974    -11.59719696
  O     12.52637281     11.64175655    -12.06734026
  H     16.02647488     10.83801357    -17.15902055
  H     12.53644789     10.16590556    -15.50911420
  O     12.55415520      9.34891477    -14.99472105
  H     15.74289474      7.39258970    -18.32911583
  H     11.91482396      9.41776859    -14.27392802
          69
 Ord_Energy   -250.300812    
 O   -6.11121035       5.32731438       9.30362034    
 H   -5.67895699       4.51287699       9.58434677    
 H   -5.44715977       5.81933546       8.79721832    
 O   -7.64173508       7.27854061       5.42142391    
 H   -7.34164667       6.96910000       4.55899143    
 H   -7.76332426       6.51126766       5.99867201    
 O   -6.45026636       6.44307184       3.01503301    
 H   -6.74575186       6.58337116       2.11898255    
 H   -6.41460609       5.48060846       3.15305233    
 O   -4.62451029       4.48020554       5.80627537    
 H   -3.77193832       4.71709156       5.41816854    
 H   -5.23494291       4.33064747       5.07400227    
 O   -10.0219669       6.94244909       8.60186481    
 H   -9.85245037       7.70866394       8.02457714    
 H   -10.9568701       6.93518305       8.78656769    
 O   -5.49992037       2.23561072       7.20761776    
 H   -5.30315018       2.34083772       8.14451981    
 H   -5.12452459       3.01582813       6.76987171    
 O   -2.04953003       3.06209803       3.82831717    
 H   -1.78477442       2.60742164       4.63761568    
 H   -2.00242329       4.00684786       4.02899933    
 O   -4.02201891      0.576786160       5.54179430    
 H   -4.62086248       1.02281022       6.15830994    
 H   -4.24542809      0.908400118       4.66443396    
 O   -2.26534772       5.63694715       4.81832027    
 H   -1.88214815       5.84382868       5.67856359    
 H   -2.81522799       6.39026928       4.55116653    
 O   -6.30558825       3.81820822       3.65482473    
 H   -5.70900393       3.11619997       3.36481023    
 H   -6.93581486       3.44948912       4.29468298    
 O   -4.07567406       7.61724997       4.19275522    
 H   -4.44059181       8.16385937       4.89875984    
 H   -4.83591413       7.25716066       3.71992874    
 O   -9.22112370       8.98618126       6.99642086    
 H   -8.52313900       9.44404507       7.48065710    
 H   -8.77056503       8.48628044       6.30097008    
 O   -1.65000987       6.08711052       7.56976938    
 H   -2.58282089       6.34399319       7.67626333    
 H   -1.12795532       6.74535418       8.02128220    
 O   -6.95853138       9.85136890       8.57280731    
 H   -7.13492775       9.07341194       9.13196182    
 H   -6.89288664       10.6005363       9.15877914    
 O   -4.36237288       1.91980267       2.99902749    
 H   -4.21021795       1.44570220       2.18550706    
 H   -3.52141762       2.35436678       3.23181343    
 O   -7.60475922       7.61818361       9.99338150    
 H   -8.48529816       7.36983633       9.68560791    
 H   -7.06668997       6.81950188       9.91522598    
 O   -4.33956146       6.54114914       7.60208654    
 H   -4.70243835       7.35953331       7.23821497    
 H   -4.51784754       5.83518171       6.96021318    
 O   -8.12813759       5.28325462       7.32203579    
 H   -7.43060064       5.21218204       7.98776531    
 H   -8.87202263       5.72425222       7.75187111    
 O   -4.58010674       2.99109530       9.77007198    
 H   -4.38299561       2.49087548       10.5572882    
 H   -3.73057604       3.15269279       9.31979179    
 O   -7.80167961       2.96599579       5.75554705    
 H   -8.06647778       3.74002481       6.27067327    
 H   -7.13458586       2.52439737       6.29815435    
 O   -2.28237772       3.41212153       8.39091969    
 H   -2.03737855       2.81283331       7.67439175    
 H   -1.96434164       4.28610516       8.13843727    
 O   -1.63092458       1.62863696       6.27336502    
 H   -2.46548104       1.18017387       6.04630756    
 H  -0.969757020      0.946872830       6.36401844    
 O   -5.51732683       8.73200893       6.43103838    
 H   -6.26413298       8.24791718       6.04511309    
 H   -5.89138937       9.25796318       7.14864254    
          69
 Energy    -250.30018261649090     
  O      2.37882535     -0.74077689      5.62976079
  H      2.35252607     -1.12000389      4.73986367
  H      0.19332945      2.44708473      2.07198738
  O      0.54197938      2.28836437      8.09393904
  H      2.07071355      0.17347643      5.56085338
  H     -1.72463682      0.57587450      4.30351944
  O     -1.94828012     -4.54830010      5.75598326
  H      0.41185151      1.47032127      8.60542499
  H     -1.31486038      1.80794247      3.44499657
  O      2.62901762     -4.96827077      6.56139782
  H      0.83564032      2.95194747      8.71273350
  H     -0.28810249      0.65633246      0.90608776
  O      2.07100757     -1.81605771      3.09483334
  H     -2.61770332     -3.88617497      5.96351597
  H     -0.20698670     -0.88741271      1.03983811
  O      1.96134883     -4.46657199      4.01381650
  H     -1.31360376     -4.53394727      6.48472166
  H     -1.99624562      1.95646482      6.07390498
  O      3.20553251     -2.41103067      7.70588560
  H      2.43471614     -4.81008374      5.61952748
  H     -1.29604940      2.24998881      7.41416981
  O     -0.03309781     -0.00378169      9.44850837
  H      3.15416579     -5.76248565      6.60408891
  H      1.76812143      2.24347063      3.68839363
  O      1.30321112     -2.51059151      9.62158628
  H      1.14157663     -1.91229017      2.84294028
  H      2.28267583      1.68059674      2.33295381
  O     -0.60045175     -2.22700906      2.30506276
  H      2.46336683     -1.19993112      2.46418081
  H      0.73408435     -1.34282155      6.09990058
  O      2.76968365      0.15490852      1.23984587
  H      2.14803345     -3.58844471      3.65720791
  H     -0.04027689     -2.58303356      6.62794577
  O     -0.72206463      2.32416213      1.75899836
  H      1.05529364     -4.67549377      3.75575028
  H     -1.12659499     -5.65688831      2.93038722
  O     -1.41776107      1.49193452      4.35060156
  H      3.15722135     -3.28015927      7.28861644
  H     -1.22104056     -4.74744376      4.17605742
  O      0.15752614     -0.12894020      0.56444566
  H      3.04487313     -1.76477259      7.00402966
  H     -1.44459701     -0.96505536      7.31226225
  O     -2.14072023      1.98668149      7.02954325
  H     -0.90396215     -0.24546209      9.10923672
  H     -2.34365171      0.27892817      7.54827584
  O      1.80553211      2.41491802      2.73817477
  H      0.45023448     -0.83313759      9.54304869
  H     -3.33512226     -1.78318068      6.92843816
  O     -0.14847486     -1.70090986      6.25238077
  H      2.03669127     -2.42070821      8.98546848
  H     -4.70256858     -2.40856229      6.57285749
  O     -0.77496515     -4.85944285      3.31787886
  H      1.69006376     -2.77436358     10.45257872
  H      0.97088647     -4.53425034      7.26570227
  O     -2.23657753     -0.65701209      7.77976645
  H     -1.19871327     -1.80785495      2.94063837
  H      0.39078383     -3.66317981      8.40271536
  O     -3.78632117     -2.38362152      6.30995823
  H     -0.66693396     -3.17348183      2.48144081
  H      0.27703662      1.61475776      5.05515485
  O      0.15050161     -4.14730590      7.60221433
  H      3.35235066      0.19088520      0.48614977
  H      1.05553205      2.00093097      6.33574830
  O      1.16839682      1.73072814      5.41534877
  H      1.86330167      0.05566040      0.89366703
  H     -2.84875151     -1.55525077      4.82077706
  O     -2.06915919     -1.20228254      4.37977253
  H     -0.96280295      3.11842162      1.28940531
  H     -1.32751860     -1.40976591      4.97340075
          69
 Energy    -250.29972038123324     
  O     17.85618257     11.43139795    -17.60107337
  H     18.62809731     11.83882544    -17.18780586
  H     18.06469292      6.47588599    -13.14818858
  O     15.05210915      5.75414682    -14.24465958
  H     17.09949458     12.00012469    -17.41349898
  H     20.75856181      9.19264333    -16.67643156
  O     18.04745366     12.18916113    -10.98870599
  H     14.54563578      4.94676466    -14.20959400
  H     20.51453535      9.61725548    -15.20533040
  O     19.17791156      9.58693159    -13.85048999
  H     15.10419057      6.00656796    -15.18363818
  H     17.56509102      9.85639896    -16.57423221
  O     15.22633362      8.47254054    -18.81478805
  H     18.42568658     12.31536775    -11.86826943
  H     17.58135078      8.32246405    -16.22397123
  O     15.10958546     10.05393414    -10.65093803
  H     17.12994930     12.48101279    -11.05891785
  H     15.31792486     13.84979123    -16.94734781
  O     15.23811177      7.96648440    -12.53322361
  H     18.53832388      9.39900994    -14.55572196
  H     15.68688246     12.85140137    -15.82544001
  O     18.66966873     12.33891700    -13.73670774
  H     19.07780146     10.52802433    -13.65775758
  H     17.99664476      8.46048836    -11.13620848
  O     18.17118129      6.60016089    -16.52884531
  H     14.63857331      8.37123787    -19.55977377
  H     18.47612490      8.52635442    -12.60154537
  O     15.06175769      9.77622277    -14.62586022
  H     14.86248840      9.19455274    -18.27340805
  H     14.59697013     11.34785433    -17.20910525
  O     15.44834920      6.38312524    -16.85744817
  H     14.96944248      9.31198702    -11.25346675
  H     14.32417474     10.14851916    -16.29332250
  O     17.93694384      5.87953980    -13.89617268
  H     15.96085602      9.88752428    -10.22659274
  H     17.99742318     10.62163124    -10.19302749
  O     20.96394819      9.87172609    -16.02246251
  H     15.05254017      7.17566051    -13.05544785
  H     18.22938185      9.77758334     -8.91789719
  O     17.38899299      9.20570725    -15.88429082
  H     16.18973592      7.95610270    -12.35050042
  H     14.62667509     13.16297578    -10.91100180
  O     15.62888876     12.96202514    -16.78974479
  H     19.15619537     12.50000401    -14.55384269
  H     15.11126165     11.71504086    -11.15987298
  O     17.98564608      7.97740980    -11.97080726
  H     17.72616212     12.35923302    -13.95163176
  H     20.77516168      7.57779478    -18.64619940
  O     14.24984044     10.44953518    -17.21014521
  H     19.01427887      6.85818975    -16.91472900
  H     19.43623773      8.32615289    -18.44463508
  O     17.82517900      9.75608756     -9.78113767
  H     18.29741697      6.31425195    -15.61034224
  H     15.60580165     12.58243739    -13.23282987
  O     15.24113045     12.64477203    -11.42339695
  H     15.86875215      9.51036227    -15.09649842
  H     15.56920605     11.43052070    -14.26610008
  O     20.19561460      7.93303695    -17.97716684
  H     14.98631360      9.18229307    -13.87025045
  H     20.78915367     13.01291931    -16.46568684
  O     15.87297474     12.34184331    -14.12848737
  H     15.25232542      7.05671893    -17.51699737
  H     20.48493418     11.52410997    -16.16705562
  O     20.09212553     12.41606237    -16.20724667
  H     16.41478129      6.31154231    -16.85065353
  H     17.10362800      8.79901499    -19.07296086
  O     18.01606992      9.10999728    -19.11812809
  H     16.98609398      5.71918751    -13.94192295
  H     17.99735889     10.01784980    -18.78439826
          69
 Energy    -250.29834710353288     
  O     15.82779646     12.07829686    -16.55729070
  H     15.76533705     12.95890345    -16.91745606
  H     11.95263439      5.73589648    -15.00975025
  O     14.35506391      7.14256726    -12.85243519
  H     15.61621704     12.14863018    -15.60846397
  H     18.58803773      7.51066300    -17.07961631
  O     19.13552615      7.29598008    -13.13898983
  H     15.13496277      6.57821141    -12.75501828
  H     18.20982765      8.98515068    -17.34498290
  O     19.40130055      6.31890793    -15.72502950
  H     13.75121992      6.74094474    -13.49062954
  H     15.33143854      8.77698129    -15.62101221
  O     12.42057741      9.21773547    -15.09334460
  H     19.46345694      7.35545746    -12.23390807
  H     15.23408321      8.05808251    -14.23864091
  O     18.06959179      9.81625096     -9.80751659
  H     18.80880901      8.17639892    -13.38445677
  H     14.29918560     11.84775347    -13.67001152
  O     14.30036640      9.42000235    -11.37296175
  H     19.40414178      6.64567872    -14.81021651
  H     15.77443646     11.91457935    -13.23212313
  O     17.98662693      9.63078971    -13.92864820
  H     20.26109035      5.93521365    -15.87884173
  H     16.95939908      5.89428033    -10.85297781
  O     14.35887831      5.87413925    -17.03645612
  H     12.39106141      8.25610609    -15.04563509
  H     16.61086617      6.87873446     -9.70550532
  O     15.61874412      8.41656491     -9.17255313
  H     13.01888235      9.43072719    -15.82396551
  H     12.56061684     10.34015679    -13.78935397
  O     16.67230197      5.67217021    -15.52772653
  H     17.29464882      9.36152201     -9.45377593
  H     11.89159831     11.46613134    -12.96504582
  O     12.67721975      6.35384800    -14.95932260
  H     18.70768935      9.12199108    -10.00796466
  H     17.56431649      6.32120185    -12.80250867
  O     18.08573436      8.07970615    -17.66972335
  H     13.68039789     10.00891984    -11.82005931
  H     16.65779736      5.44310065    -13.65713188
  O     15.83493086      8.29162102    -14.95636603
  H     14.28157014      8.58398883    -11.86506687
  H     18.83122295      6.94556754    -10.16751836
  O     15.16748504     12.17048132    -13.93843281
  H     17.23921368      9.17882048    -14.35222293
  H     20.32257033      7.12785384     -9.79389402
  O     17.25046229      6.21312520     -9.98924382
  H     17.61161587     10.15543270    -13.21005475
  H     15.68216703      7.82395331    -19.64896400
  O     12.70460130     10.97868334    -13.06726333
  H     15.16009567      5.57619992    -16.58215590
  H     16.50931998      7.89933712    -18.34482788
  O     16.77489286      5.76288200    -12.75292002
  H     14.66672864      6.51712075    -17.68578658
  H     15.84483837     10.41484633    -11.73224866
  O     19.64079899      7.44446059    -10.38060874
  H     15.09934242      8.49364276     -8.37568869
  H     17.24138401     10.71188905    -11.15000172
  O     15.60174448      7.86339646    -18.69988151
  H     15.08663046      8.80157530     -9.88790886
  H     17.51330864     11.16197884    -16.61686901
  O     16.64671043     10.93399269    -11.88085977
  H     17.61698368      5.69477660    -15.72086426
  H     18.35874297     10.36971278    -15.60949166
  O     18.28813075     10.59237673    -16.54778363
  H     16.40888684      6.60063565    -15.41571151
  H     14.79146548      9.14981188    -17.65823348
  O     14.43280043      9.69117663    -16.94288351
  H     13.24041177      6.18494755    -15.73548509
  H     14.90339082     10.53548872    -16.93113126
          69
 Energy    -250.29832711877987     
  O     14.37075813     10.41561012    -15.63648546
  H     15.17293530      9.96460958    -15.33587114
  H     16.19436152      6.19247948    -15.71982398
  O     14.74563966      6.23581441    -16.74801926
  H     13.95166666     10.75304194    -14.83574119
  H     15.02032109      8.34968785     -9.71729749
  O     13.71723755      6.14676403    -11.50911634
  H     14.14631760      6.97626944    -16.89576612
  H     14.89598394      6.98324200    -10.44116201
  O     17.83087227      6.12344813     -9.64103092
  H     14.22708764      5.52106273    -16.35869052
  H     14.71396207      8.28184225    -13.73995865
  O     13.69937772      3.98282202    -15.26135569
  H     12.79908741      5.87170330    -11.40597812
  H     13.65841145      9.14966323    -13.04547936
  O     13.04808582      8.54974086    -17.11460493
  H     13.72252205      6.90948509    -12.11091549
  H     10.42132496      4.83174549    -11.15852451
  O     14.09516794      9.88625774     -9.61800543
  H     17.00649593      6.63690988     -9.68187010
  H     11.05144873      5.21672673    -12.52098933
  O     19.28973967      7.63746225    -11.59593261
  H     18.00637971      5.96256776     -8.71726624
  H     10.72012075      8.14021989    -13.21129711
  O     11.65538441      7.72204921    -14.82210277
  H     13.88160157      3.11033816    -15.60254490
  H     10.59288481      7.30218413    -11.92711194
  O     17.70910394      4.28967645    -11.83223018
  H     14.29044459      4.11164312    -14.50017435
  H     14.75224881      5.07468918    -12.52709143
  O     19.23863347      5.77206785    -13.76824227
  H     12.85539218      8.89331981    -17.98289983
  H     16.12464762      4.34206897    -12.64133276
  O     16.78871045      6.13924502    -14.95580572
  H     13.51216619      9.25724807    -16.63209757
  H     12.05113840      4.58100004    -14.60008605
  O     15.52368358      7.57145406     -9.99855913
  H     13.20508559      9.96702969     -9.98178436
  H     11.31866729      5.93542380    -14.54222885
  O     13.88642863      8.23232335    -13.24595552
  H     14.62036995     10.56069195    -10.06539446
  H     10.86111290     10.81035036    -10.55669760
  O     10.99660299      5.46449323    -11.57892345
  H     19.36923291      7.04642995    -12.35516904
  H     11.17330720      9.55090019    -11.39422529
  O     10.52478965      8.20231650    -12.26741285
  H     18.94536848      7.09711360    -10.87284262
  H     16.67382656      9.00010330    -13.53833311
  O     15.32612431      4.58553373    -13.13232275
  H     12.44730781      7.83789991    -14.27509803
  H     16.62007486      7.93108049    -14.66756030
  O     11.28365709      5.02378112    -14.21900521
  H     11.92040731      8.00830859    -15.70341871
  H     12.72038875     10.90986835    -12.31290966
  O     11.57614210     10.32126622    -10.95559460
  H     17.75301289      4.82575512    -11.03048922
  H     14.22043779     11.27176992    -12.45931350
  O     16.34834365      8.82795313    -14.43248396
  H     18.34827590      4.67616160    -12.44343764
  H     16.28285648     10.75549451    -11.52087475
  O     13.44205686     10.97742314    -12.95185460
  H     19.91904482      5.51368980    -14.38495633
  H     16.28310850     12.27520127    -11.23657227
  O     15.70870604     11.52438948    -11.36197653
  H     18.43321128      5.92375486    -14.29059921
  H     17.93088516      8.77446749    -11.72857964
  O     17.05110037      9.17807340    -11.75727639
  H     16.30453276      5.64295626    -14.28100783
  H     16.47557062      8.61555469    -11.22167031
          69
 Energy    -250.29811601825162     
  O     15.87826698     11.01801219    -13.36147022
  H     15.76980564     11.65227532    -12.64310196
  H     12.79323913      6.10078629    -13.97203495
  O     17.85001472      8.38952782     -8.15968969
  H     16.57242916     10.41723792    -13.06174494
  H     12.64667878     11.65967236    -11.39542890
  O     16.24483843      5.53653017    -10.62816034
  H     18.43533701      8.71083443     -7.47784696
  H     12.61402092     11.89678460     -9.86899270
  O     13.20978986      5.21207731     -8.49676519
  H     17.47849978      9.17346679     -8.59708887
  H     14.51115633      7.33060080    -13.99964302
  O     18.64358966      7.08109210    -10.62732871
  H     15.96413207      6.00039293     -9.82904097
  H     13.68301185      8.32023865    -14.82783971
  O     17.54189657      9.26522104    -11.92016893
  H     15.49173730      4.98942717    -10.89976926
  H     16.27949761      7.26482548     -8.07397064
  O     15.64552650     12.64283904    -10.99973102
  H     13.99519717      5.75537966     -8.32608674
  H     14.85733430      7.74738941     -8.38056100
  O     10.15010435      9.38539017     -9.64582598
  H     13.20858835      4.52330378     -7.83604886
  H     12.53735646     10.39541736    -13.49328657
  O     16.52758166     10.42199861     -9.52900780
  H     18.53222056      7.44396838     -9.74041147
  H     11.19730553     10.09561397    -12.71963025
  O     13.31153595      8.36737920    -11.22054516
  H     17.97060118      6.39195518    -10.70697901
  H     10.43475065      6.59881673    -11.37936401
  O     11.42024863      6.90870329     -9.83416430
  H     18.08449206      8.52268252    -11.61652798
  H     10.81529740      6.20161900    -12.81127039
  O     12.30721939      5.36946804    -13.55204677
  H     17.20116303      9.68380820    -11.11818900
  H      9.73272018      8.32831205    -12.49676893
  O     13.01418400     12.20849799    -10.68843773
  H     14.68573995     12.52990600    -10.86870657
  H      8.70256239      9.41643599    -12.88202873
  O     13.77301086      7.38346853    -14.62598446
  H     15.81737020     13.58046817    -10.99119761
  H     11.21522143     10.45116966     -8.80242786
  O     15.39075563      6.94540335     -8.26972060
  H     10.49674067      8.48497792     -9.56828092
  H     11.45521608     11.41214493     -7.61425396
  O     12.09851227     10.43313429    -12.63348550
  H      9.85472818      9.47202629    -10.55847624
  H     13.40775045      4.63557272    -10.43315633
  O     10.13692653      6.65765884    -12.29750951
  H     16.34616032     11.26775074     -9.95838593
  H     13.26862581      4.76106895    -11.97436681
  O      9.56457702      9.28842684    -12.49599946
  H     15.66582588     10.07566792     -9.25281360
  H     14.53790711     10.52086352    -14.36192399
  O     11.88700289     10.99902467     -8.35672125
  H     12.90058283      9.07255481    -11.73728292
  H     13.80724369     10.70617917    -15.71089449
  O     13.83152223      4.41772732    -11.27033064
  H     14.06075398      8.02291697    -11.72240985
  H     13.38694175      9.89453768     -8.49056030
  O     13.74991027     10.25745845    -14.87145695
  H     11.90026412      6.30464681     -9.25816285
  H     13.82590184      9.01702253     -9.68868124
  O     14.09332339      9.31988430     -8.80571116
  H     12.08965440      7.36356908    -10.37118670
  H     16.23522863      8.10613929    -12.42585260
  O     15.56027420      7.42597753    -12.54284979
  H     12.24592668      4.67698358    -14.20607785
  H     15.80710806      6.69479694    -11.96211343
          69
 Energy    -250.29757781327208     
  O     13.57081821     13.54894776    -15.08729471
  H     13.33796615     12.73958675    -15.56015423
  H     16.80157885      9.85159596    -14.07702334
  O     16.95029144      6.13260420    -13.41475749
  H     14.48639147     13.72569795    -15.33610974
  H     15.15895573      8.63208288    -18.28504640
  O     19.32269016      9.82964251    -12.58424071
  H     16.04092542      5.85757013    -13.24635641
  H     16.28570823      8.52793550    -19.34123368
  O     14.17488082      5.52118771    -13.01812200
  H     16.97010453      6.44496743    -14.32739038
  H     15.68726475      9.73191572    -12.12984434
  O     15.95028861     11.09202035     -9.18005804
  H     19.09456341      8.99552933    -12.15762332
  H     15.73407802     11.14956194    -12.80328503
  O     13.63411662      7.34509019    -11.10627571
  H     18.97371921     10.52836053    -12.01075917
  H     14.43551898     11.01685483    -16.43944555
  O     13.57313841     13.79397713    -12.38543827
  H     13.83064746      4.67314399    -12.75163086
  H     13.28515252     10.52203803    -15.52091754
  O     13.50147395      8.52596591    -17.73394748
  H     13.94593066      6.15292760    -12.31246017
  H     18.89094311      6.75333439    -11.01044758
  O     15.99335235      8.72332549    -10.63971066
  H     15.87329719     11.33615078     -8.26174071
  H     17.86472936      6.91958942    -12.15474697
  O     16.69760217      7.47048052    -15.91999616
  H     15.10986612     11.33879044     -9.60677791
  H     12.28735594      9.59160132    -12.53006402
  O     13.97802815      7.12285021    -15.30819012
  H     12.98513174      8.05298603    -11.17998072
  H     11.01609363      9.67291295    -11.65401666
  O     17.57067319      9.74519972    -14.65646374
  H     14.46543712      7.77449977    -10.85726587
  H     15.38019875     13.33803267    -12.60510954
  O     16.11601559      8.74469615    -18.42862234
  H     13.21872369     14.65223439    -12.16636920
  H     16.37663600     13.16394709    -13.78030616
  O     15.50238171     10.22231285    -12.94170421
  H     13.46361637     13.68743626    -13.34713393
  H     17.44014197     11.59691612    -10.32114773
  O     13.47475027     11.01911701    -16.33107870
  H     13.29304352      9.40347260    -17.38794995
  H     17.53923732     12.32359141    -11.66438873
  O     18.31287737      7.38713668    -11.42702088
  H     13.48738353      7.93066765    -16.97263817
  H     16.84492825     10.61910623    -16.01046428
  O     11.96845582      9.63392012    -11.61199418
  H     16.09483871      9.44939675    -10.01116814
  H     16.32119752     10.36064198    -17.43958465
  O     16.22276799     12.93779982    -12.85469490
  H     16.85217054      8.30683702    -10.78864576
  H     13.54224289     12.40393710    -11.09819395
  O     18.05200975     11.79475889    -11.03882482
  H     17.08976647      8.22616372    -15.45512501
  H     13.04948811     10.97628330    -10.78784942
  O     16.32815312     11.01426369    -16.73067814
  H     16.62483114      7.74183573    -16.84176737
  H     17.00622091     14.11169271    -16.08228131
  O     13.62238855     11.68163305    -10.46362739
  H     13.93708460      6.47813528    -14.59077716
  H     16.40442684     12.68995400    -16.11282510
  O     16.38660386     13.53773692    -15.63849410
  H     14.91779061      7.24342984    -15.50878068
  H     13.35708060      8.61136552    -14.47181791
  O     13.17060468      9.46479897    -14.05775901
  H     18.33818808      9.79757794    -14.07045547
  H     14.00349102      9.76341289    -13.65535135
          69
 Energy    -250.29723701643010     
  O     -2.21795897      4.82208731      1.43817119
  H     -2.40889159      4.21695168      2.17536371
  H     -2.14717458     -1.93772297      2.45207252
  O     -2.64974687      2.80589035      3.26437577
  H     -2.62795777      5.65607419      1.65313566
  H      1.37103958      1.24403165      0.39125894
  O     -0.58998314     -0.37574888      4.77151959
  H     -2.25155935      2.70118732      4.13569786
  H      1.47291307      0.51175913      1.78797671
  O     -1.47162951     -3.17787113      1.35334360
  H     -2.18140993      2.18769856      2.68061628
  H     -3.96095888     -1.48355938      0.23336564
  O     -1.43216198     -1.06039065     -2.11337033
  H     -0.83327923      0.47730517      5.15039877
  H     -2.81180060     -2.50689991      0.20139347
  O     -4.84172618      1.94075464      1.65245688
  H     -1.31931594     -0.65109345      4.19731422
  H      1.65031233     -2.60047606      4.62068076
  O     -2.87295818      2.64894839     -0.28411117
  H     -0.77143726     -2.76424765      0.82650081
  H      0.26229806     -2.04332317      5.00223600
  O     -0.84160973      1.73889539     -1.98727203
  H     -1.04269460     -3.82812476      1.92276079
  H      0.26521176     -4.10418250      3.77916087
  O      0.47780376     -1.95245172     -0.20802021
  H     -1.63928288     -1.43934714     -2.96439724
  H      0.03016920     -5.60315549      3.47172499
  O     -1.54802721      0.98638388      1.48938823
  H     -2.16840949     -1.29559611     -1.52137101
  H      1.49176243     -4.02102037      1.95840963
  O     -4.99447111     -0.76651167      1.71196827
  H     -4.39450229      2.21169627      0.84010834
  H      1.68214977     -3.00117738      0.81533700
  O     -2.51209265     -1.19018000      2.94840735
  H     -4.27886699      2.26747267      2.36620317
  H     -1.06264900      2.68153718      6.43663259
  O      1.11920689      0.45706282      0.88962901
  H     -2.41513884      1.98948066      0.26429028
  H     -0.32090613      2.62384000      5.07676995
  O     -3.32991817     -1.91053921     -0.35631238
  H     -2.67228696      3.50483085      0.11600512
  H      1.50267638      2.17302779      3.92721476
  O      0.76343279     -2.86237338      4.89779804
  H     -1.01725620      0.79307365     -2.05969040
  H      0.90925528      3.43903120      3.25769877
  O      0.07554554     -4.74154004      3.06687580
  H     -1.62627268      2.12618189     -1.57654564
  H      2.90315524     -2.54656788      2.82465078
  O      2.14545038     -3.45266202      1.53241766
  H      0.75969752     -1.10855186      0.17868212
  H      4.11859234     -2.34162920      3.76051522
  O     -1.10942015      2.30984434      5.56038422
  H     -0.06575680     -1.72446918     -0.97122793
  H      0.99240418      0.08566994      3.94399187
  O      1.03559548      2.99750342      4.11043852
  H     -0.62006254      0.83976795      1.27099362
  H      2.42307526     -0.40794166      3.60091161
  O      3.21398398     -2.07646558      3.61912504
  H     -1.87870530      0.18419403      1.91169086
  H     -0.33393447      4.45012688      1.48153964
  O      1.83110479      0.35184225      3.53873606
  H     -5.00512619      0.20604431      1.68072550
  H      0.83719063      3.72027748      0.79166580
  O      0.56241011      4.12468893      1.62266263
  H     -5.89178142     -1.04528393      1.87412597
  H      0.58459866      2.38731906     -1.24035084
  O      1.35488636      2.70724172     -0.73637109
  H     -3.43186610     -1.09046547      2.67256631
  H      1.99038246      3.02252778     -1.37307538
          69
 Energy    -250.29722436535951     
  O     17.19275404     10.30626690    -16.30303953
  H     17.80376321      9.65088573    -16.66722308
  H     14.47531059      2.55109699    -17.40438928
  O     13.11514932      5.30211068    -16.58817361
  H     17.61982570     10.62783022    -15.50055225
  H     19.35720713      5.02329544    -16.37240435
  O     17.46014115      6.47320371    -11.67355940
  H     13.36060372      6.03619282    -17.16412855
  H     18.39713777      4.43274794    -15.32809364
  O     19.04428873      5.64282649    -18.19694459
  H     13.16865996      5.62850539    -15.67880988
  H     19.04936550      7.35168156    -17.40889622
  O     16.34281178      5.42620893    -18.48238012
  H     18.31112123      6.23957135    -12.06395960
  H     18.13144595      7.67718731    -16.22415446
  O     13.26746202      8.46546461    -10.70146734
  H     17.23742691      7.34066570    -12.04487573
  H     15.58958320      9.52814267    -16.18575163
  O     13.52311230      6.19836733    -13.97650950
  H     19.45431861      5.30469765    -18.98828868
  H     14.42191641      9.08670941    -15.23580922
  O     16.83795410      8.74516312    -13.06338219
  H     18.08223791      5.56052641    -18.32533188
  H     13.15317621      4.86688529    -10.74764405
  O     16.60678953      4.25991184    -15.11541802
  H     15.90157746      4.64901950    -18.11898814
  H     13.50027064      3.64942939     -9.85529506
  O     12.07549058      5.99943097    -11.54641395
  H     15.68615346      6.13219474    -18.46313214
  H     14.38751496      8.00704047    -17.51330449
  O     20.16962681      8.59226523    -14.39311964
  H     14.02285375      7.94277629    -10.37769086
  H     13.81924129      7.84966174    -18.94085987
  O     14.88840863      3.36176193    -17.12229386
  H     13.02820677      9.06444426     -9.99909165
  H     19.69079741      5.55677306    -13.96472200
  O     19.30806939      4.73701684    -15.45400720
  H     13.71023232      7.13325587    -13.81868793
  H     20.65773147      5.62114071    -12.76407041
  O     18.82821708      8.05278579    -16.78628773
  H     14.23762911      5.69785412    -13.55977461
  H     15.00320812      4.42278200    -11.87625531
  O     14.81390832      8.94927307    -16.10608654
  H     17.41713411      9.49998934    -13.22188104
  H     16.21073990      5.30014253    -12.30522174
  O     13.88844409      4.34758491    -10.37482311
  H     16.91252544      8.15800107    -13.83362794
  H     16.11930620      6.71476269    -10.31749480
  O     14.22354671      7.36521162    -18.22530171
  H     16.19502766      4.23329283    -14.24063676
  H     14.86754326      5.93360003     -9.87707708
  O     19.86699024      6.01613518    -13.12408048
  H     16.00964618      3.84736909    -15.75081052
  H     16.63039631      6.11646122    -15.28767634
  O     15.52055109      4.70809957    -12.63848544
  H     12.36572568      5.99960665    -12.46849550
  H     15.97104028      7.50736569    -15.61402601
  O     15.27479415      6.80896805     -9.86008589
  H     12.29767554      6.87729638    -11.21114422
  H     13.70023339      8.86746848    -12.49236559
  O     16.74942885      7.07250904    -15.24416074
  H     19.87059967      8.39573264    -15.29251457
  H     15.06715233      8.90936337    -13.20108538
  O     14.11160813      8.87898263    -13.36504464
  H     20.10453756      7.76489370    -13.90299074
  H     19.12139872     11.46922115    -13.47760238
  O     18.62940516     10.73404282    -13.83132344
  H     14.17220894      3.99561238    -16.93041735
  H     19.27031440     10.01786112    -13.99881020
          69
 Energy    -250.29649876381421     
  O     14.68414055      9.76242050    -10.74428839
  H     14.57144592     10.29734561    -11.54274151
  H     18.33144745      4.32154651    -10.06796602
  O     13.01728680     10.49263917    -16.55964415
  H     15.55434881      9.94107158    -10.36776223
  H     12.33285490      7.70170311    -10.76536245
  O     16.96296221     10.55285222    -14.05384059
  H     13.80428507     10.25433615    -17.06485719
  H     13.30459627      8.74217640    -10.15631228
  O     13.16402450      4.78184421    -12.66761625
  H     12.87982015      9.79500343    -15.90482058
  H     18.27816077      7.48477499    -15.05630594
  O     16.94174374      7.25630916     -8.80822031
  H     16.04817602     10.64225778    -13.75141400
  H     18.68297533      7.65264630    -13.58231578
  O     16.24881495     12.24397411    -16.20512476
  H     17.42445875     10.03340374    -13.38294785
  H     12.97824734     13.45292909    -15.30821509
  O     15.50369555      7.41428640    -12.07997465
  H     13.71194297      4.75264284    -11.86971766
  H     13.31718505     11.99992278    -15.72694403
  O     14.29461632     10.83701238    -13.25124433
  H     13.74735245      4.50779670    -13.38405769
  H     13.66769380      8.06887394    -14.63464082
  O     17.96134604      8.74626703    -12.18156631
  H     17.26894165      6.51857182     -9.33758542
  H     12.41314906      8.19796125    -13.74529108
  O     17.60074487      4.81699916    -13.05927991
  H     16.04404509      7.02552396     -8.53891190
  H     15.72532736     10.41444511    -18.80138072
  O     15.19717585      4.32576497    -14.63250424
  H     15.41784191     12.59567978    -15.86166374
  H     15.85326903     10.97926517    -17.36679560
  O     17.68452865      4.95012043    -10.37687896
  H     16.67689460     11.80256032    -15.45901369
  H     10.76789179      6.79924140    -12.47346115
  O     12.71474231      8.00686334     -9.93450171
  H     15.30016016      6.61929391    -11.57427406
  H     12.19996472      6.22698995    -12.56428248
  O     18.70499320      7.03008602    -14.32114277
  H     15.12823057      8.16519403    -11.60273333
  H     13.62390483      7.06875928     -8.81111045
  O     13.61696470     12.75588009    -15.18855957
  H     14.03778373     11.61041171    -13.76777572
  H     13.76860068      6.34779595     -7.44817573
  O     12.94926581      8.67184936    -14.39231724
  H     13.80709488     10.08440702    -13.61786589
  H     15.84402028      4.84683406    -10.44394913
  O     15.56874533     10.20401317    -17.88436851
  H     17.18543373      8.16503246    -12.17911310
  H     14.61344606      5.44379508     -9.70781093
  O     11.68872217      7.04908537    -12.45403386
  H     17.95841409      9.17377417    -11.31753991
  H     15.79884912      7.53385610    -15.26266905
  O     14.22077027      6.52068402     -8.26905195
  H     16.83133687      4.53871051    -13.56586429
  H     15.30157283      7.15580558    -13.82556690
  O     14.90649722      5.05751524    -10.54320507
  H     18.02686549      5.52618192    -13.56313437
  H     17.20804584      8.89119922     -9.28615281
  O     15.12725333      7.04014668    -14.77372111
  H     15.20975104      3.89104154    -15.48154449
  H     17.75215702     10.30889529     -8.97793646
  O     17.30367151      9.79417592     -9.64288290
  H     15.15681469      5.28237873    -14.80795047
  H     16.57403829      9.01202857    -16.80671686
  O     17.00037038      8.60788866    -16.04187677
  H     17.71305958      4.91813775    -11.35126400
  H     17.04153894      9.30357577    -15.36800474
          69
 Energy    -250.29602843797304     
  O     13.60059522      9.51392984    -16.90948018
  H     13.09528179     10.31764341    -16.69098079
  H     17.31289988      9.70557330    -10.00845958
  O     14.75632043      8.88402207    -14.43770981
  H     13.85824508      9.59204391    -17.82397284
  H     15.85998428      8.13867222    -13.06004677
  O     12.97912860     12.59353152     -7.08223751
  H     14.51850760      9.04405193    -15.35947165
  H     16.75224251      8.50276900    -11.84230750
  O     12.03595503     11.63144698    -16.20809518
  H     13.93096391      8.64261183    -13.98866771
  H     12.88282854     15.49209267    -11.61687183
  O     12.35728274      8.30413682    -13.15293921
  H     13.26682422     13.01620762     -6.27759528
  H     12.59440593     14.20806417    -10.80991519
  O     14.03300655      8.08501333     -8.03445790
  H     13.77520512     12.44529249     -7.62328821
  H     14.66871983      7.68889357    -11.22136761
  O     13.85218861     10.61788323    -10.82434527
  H     11.15740169     11.25114367    -16.08227520
  H     13.87537141      7.74550597     -9.86668253
  O     12.09305336      9.96957297     -7.79386503
  H     12.21793658     12.14500349    -15.41071435
  H     17.56355560     11.31733012    -11.69805671
  O     15.76569294     13.97914564    -10.62577487
  H     11.82263894      9.09756948    -13.01233765
  H     18.20493792     12.41686754    -12.57521773
  O     11.15591122     10.88366502    -10.28679529
  H     12.69899420      8.02170746    -12.29428388
  H     11.35864724     11.38027229    -13.20493401
  O     12.57283941     12.69463833    -13.63430426
  H     13.91685966      7.43530565     -7.34614848
  H     10.24183692     10.49857484    -13.82115026
  O     17.83608860      9.75997407    -10.82884056
  H     13.32602960      8.74492365     -7.91652391
  H     14.56344334     11.53014776     -9.45839714
  O     16.16105013      7.82879606    -12.19564615
  H     14.20422486     10.91122351    -11.67320866
  H     15.36641182     12.83627088     -9.29442639
  O     13.08847499     14.56121818    -11.57153732
  H     13.88074700      9.65186480    -10.81716481
  H     15.81906603     11.63963352    -13.04890260
  O     13.79388690      7.82679940    -10.82394225
  H     11.58618957     10.16724956     -8.59264757
  H     14.96983327     10.51360526    -13.74210216
  O     17.37401341     12.11884722    -12.21251021
  H     12.31790574     10.82664375     -7.41194381
  H     10.19171616      9.32646962    -15.69792858
  O     10.76725404     10.63493492    -13.02401732
  H     14.92191257     14.16780849    -11.05630701
  H      8.81133942      9.97770204    -15.95937369
  O     15.02037643     12.07945684     -8.80158075
  H     16.28720700     13.44729585    -11.23733595
  H     16.00356414     10.55631907     -8.49375866
  O     14.92635667     11.36973180    -13.29337342
  H     12.11236971     10.83859028    -10.44799967
  H     15.65189250      9.06347933     -8.34331531
  O      9.66858204     10.13932614    -15.57582929
  H     10.75552023     10.75426524    -11.15462278
  H     11.34015814     12.65450295     -9.77392354
  O     16.37270671      9.66444264     -8.56454824
  H     12.63662730     13.41177870    -12.99304031
  H     12.06416275     13.34797348     -8.61173099
  O     11.70374872     13.50525793     -9.49157027
  H     13.43241864     12.24656992    -13.60087055
  H     12.14309907      8.38221057    -16.26603231
  O     11.38229595      8.03796600    -15.78254471
  H     18.67687062      9.35065756    -10.63805889
  H     11.68220163      7.92221730    -14.86992228
          69
 Energy    -250.29583870212360     
  O     17.28318148      8.68644960    -14.97879870
  H     17.05035320      9.54497362    -15.34651635
  H     12.25554732     11.81397387    -11.60561970
  O     14.44210101      8.14778384     -9.07486824
  H     16.93976589      8.70927814    -14.06908384
  H     19.65306038      3.31089779    -11.43499490
  O     16.32367872     11.35435861    -15.22358098
  H     15.07671951      7.62438013     -9.59342914
  H     18.40936781      3.74161530    -12.24958648
  O     12.52574382      8.32416090    -11.16658693
  H     14.43924908      7.78084856     -8.19446042
  H     15.69372419      6.16168705    -11.41162690
  O     15.79460820      6.37440287    -15.35354319
  H     17.00795337     11.55195882    -14.55786065
  H     17.04221844      6.75826604    -10.89202439
  O     19.63512382      7.75307041    -13.91738205
  H     16.36818049     12.04950998    -15.87448300
  H     19.06170848      4.76993016    -15.02800966
  O     20.60499379     10.13210748    -12.99848278
  H     12.52346949      9.25767458    -11.40598406
  H     19.76914293      4.66915752    -13.66380427
  O     18.78397561      6.77036930    -11.39163666
  H     13.09499082      8.24588936    -10.39091287
  H     16.79102724      4.95147312    -15.69647581
  O     12.30719762      6.22498333    -12.84410459
  H     16.37484673      7.14644085    -15.31977304
  H     17.24215366      3.79693493    -16.61902430
  O     13.33813807      7.53465543    -15.17959064
  H     14.89225007      6.71900385    -15.43784506
  H     15.92000933      8.14681914    -11.96153421
  O     14.04663799     10.04088556    -14.08995563
  H     18.86606689      8.07959803    -14.40546803
  H     15.22920378      9.14920417    -12.96347485
  O     12.87343964     11.11274412    -11.79307181
  H     19.80726194      6.84797860    -14.21488589
  H     17.87368984     11.62860742    -12.46562336
  O     19.26525336      4.04764948    -11.89922944
  H     20.35382138      9.26629829    -13.36344192
  H     19.08967250     11.29115349    -13.33316378
  O     16.08361377      6.75949130    -10.75755984
  H     21.52200676     10.26775032    -13.22377197
  H     18.02271651     10.38587732    -10.58040982
  O     19.81966213      5.09663073    -14.52769877
  H     19.01762317      5.83429386    -11.43955891
  H     16.81317430     10.15432509    -11.51212119
  O     17.38782883      4.18628431    -15.76061519
  H     19.02402965      7.14896608    -12.24842659
  H     14.02116748      5.52810069    -12.81465510
  O     16.06702296      8.88773981    -12.55964817
  H     11.45475166      5.81527838    -12.72494903
  H     15.29875617      5.72565357    -13.66848503
  O     18.24350188     11.75310897    -13.35044594
  H     12.34467520      6.98189209    -12.23179674
  H     20.00910331      9.67810485    -11.20266572
  O     17.22029377     10.80634591    -10.92099306
  H     13.50107209      8.44001018    -14.88065514
  H     19.34047040      8.44387716    -10.57138015
  O     14.96947693      5.34775692    -12.84109799
  H     12.86260615      7.09917088    -14.46218907
  H     15.61116183     11.02338485    -10.09441035
  O     19.53108440      9.37771103    -10.41925606
  H     14.73679695     10.59184730    -14.48245904
  H     14.63629145     10.02620259     -9.43844632
  O     14.69128884     10.91319013     -9.81340634
  H     13.61161419     10.54353636    -13.38819333
  H     16.16267871      3.89800327    -12.87740411
  O     16.92641343      3.34098283    -13.07668665
  H     13.53561212     11.12346922    -11.07768253
  H     17.08226493      3.45471092    -14.02314563
          69
 Energy    -250.29430616895792     
  O     15.04529226      8.52250144    -14.95530414
  H     15.68221892      7.79657719    -14.89251089
  H     13.05089873     12.39912571    -11.36238869
  O     15.20138298     10.08209920     -8.32898284
  H     14.19240456      8.14279124    -14.70651932
  H     15.33995088      8.75959216     -9.58963497
  O     16.27601226     10.82003092    -15.96241235
  H     15.56646921     10.17763542     -7.45391956
  H     15.40585314      8.80275043    -11.14038011
  O     12.46337708     10.40579309     -9.12050554
  H     15.42472133     10.89610589     -8.81833739
  H     16.72439238      6.33277265    -13.49504662
  O     12.87023833      7.10255529    -13.96155518
  H     15.74414493     10.04254914    -15.74216365
  H     15.91828955      5.66873561    -14.63919438
  O     19.17805057      7.45313638    -14.71771729
  H     15.90883028     11.55822914    -15.46174659
  H     17.64955944     12.06061110    -12.24873314
  O     16.99863618      6.40844892    -11.67202620
  H     12.52165820     11.28178889     -9.52211504
  H     16.51671322     12.90470258    -12.86525466
  O     11.00475018      8.60286495    -10.50766907
  H     13.33844942     10.22563792     -8.75765748
  H     14.07520204      3.82473679    -14.90801811
  O     15.20709723     12.91741052    -14.34024863
  H     12.95128510      7.02565322    -12.99880030
  H     14.42597880      4.55856763    -13.59003345
  O     11.56574925      9.52119423    -13.16562073
  H     13.19561457      6.26614636    -14.31469296
  H     15.42540009      9.33209278    -13.40248633
  O     13.45687418     11.45897532    -12.79700169
  H     18.33434748      6.99053614    -14.81245934
  H     16.53974445     10.06015021    -12.59477733
  O     12.89229140     12.84559343    -10.51256566
  H     19.06534301      8.32637572    -15.11430365
  H     19.42202486     10.66035092    -16.07160398
  O     15.33417696      8.20548726    -10.37859202
  H     17.88127526      6.79780890    -11.68630881
  H     17.93026203     10.41683322    -15.73895420
  O     16.62311239      6.30229260    -14.45833187
  H     16.45271798      7.00577293    -11.14000481
  H     18.57899356     10.36016847    -13.66340257
  O     17.05152269     12.79790840    -12.07049645
  H     10.16331821      8.48909901    -10.07422737
  H     18.74767014      9.56916575    -12.34514413
  O     14.29476782      4.67986475    -14.54863641
  H     11.51030156      9.24453082     -9.97676314
  H     12.29742732      7.31735889    -10.88760195
  O     15.61625667      9.78010625    -12.56692975
  H     14.49338827     12.46490024    -13.86090075
  H     13.84411192      7.31718760    -10.83311559
  O     18.84105107     10.17166264    -15.49498150
  H     14.83321057     13.72038369    -14.69563231
  H     20.31727539      7.59446444    -11.72988480
  O     18.35005991     10.36216344    -12.72391481
  H     11.27383765      9.24093829    -12.28857864
  H     19.44365900      7.63549336    -13.00856383
  O     13.07926078      6.83228120    -11.17746533
  H     11.86647312      8.71846216    -13.60863322
  H     14.71846777     12.67132187     -9.94555244
  O     19.44349961      7.80536533    -12.04827057
  H     14.23385380     10.91745806    -12.58945393
  H     16.15204882     12.52808491    -10.50911290
  O     15.59785671     12.33379014     -9.74031037
  H     12.73610615     10.84620173    -13.00432973
  H     15.58863479      5.06294260    -11.70013017
  O     14.73124182      4.65443439    -11.87360870
  H     12.35081967     13.60867331    -10.69500062
  H     14.07132480      5.26717920    -11.52005861
          69
 Energy    -250.29420772115446     
  O     11.23426456      7.51956563    -14.88453392
  H     11.83322047      7.86264733    -15.56301312
  H     13.52349068     11.80223082    -13.51525484
  O     17.18603372      7.20463781    -14.31439016
  H     11.06537746      8.25481559    -14.28473555
  H     14.27663915      8.57063551    -15.12688677
  O     15.34230583      9.73195548    -10.77253484
  H     16.84844353      6.36717797    -13.96784876
  H     15.58116627      8.05258907    -14.43207907
  O     16.65623421     10.70680905    -13.89102497
  H     17.48267337      7.72409117    -13.55544419
  H     11.24908800      4.44246575    -14.28915151
  O     14.78886004      6.55512655    -17.75261735
  H     14.59094665      9.23733704    -11.13317725
  H     11.66606854      5.92967015    -14.39288734
  O     14.90336243      5.40652243     -9.53070880
  H     15.22895120     10.63394327    -11.09046737
  H     19.45874922      7.29799209     -9.41106904
  O     15.97120533      4.97367958    -13.22681596
  H     17.27845877     10.20972332    -13.34501102
  H     17.92369377      7.46017723     -9.54258140
  O     13.32387528      8.42217987    -12.09198113
  H     15.95869200     10.07310087    -14.12627110
  H     13.56872540      4.93661141    -15.17084576
  O     16.49523355     10.79733927    -16.70718790
  H     14.77319095      6.01987383    -18.54146203
  H     15.07696995      4.82337647    -14.88969768
  O     17.39651877      4.82869282    -10.88161951
  H     14.68557977      5.94617902    -16.99864519
  H     15.29167277     13.05714212    -12.13592085
  O     17.07356952      8.10978716    -16.98665267
  H     14.43441055      4.83270646     -8.92946575
  H     15.65931368     11.76110699    -12.89563881
  O     12.81572561     11.53744303    -14.11424927
  H     14.36905709      5.45530246    -10.34032186
  H     16.90387416      9.11139434    -11.63991869
  O     14.82437461      8.64705532    -14.33706356
  H     16.58239856      4.79329800    -12.49779988
  H     18.22805078      8.33973344    -11.45503521
  O     11.97217497      5.04261561    -14.12853449
  H     15.14340562      5.24527211    -12.80855370
  H     15.75954901      7.04771748     -9.07051910
  O     18.73789956      7.24153067    -10.03240979
  H     13.85309155      8.50163578    -12.90390014
  H     15.92685588      8.54876123     -9.42156719
  O     14.43379812      4.95665626    -15.59720395
  H     12.47658785      8.84305869    -12.27715620
  H     14.81363766     11.11594080    -16.80886451
  O     14.99626016     12.16652653    -12.30967270
  H     16.76412597     10.94473894    -15.79283059
  H     13.64610021     11.88779181    -17.46851805
  O     17.72059151      8.85649391    -12.09250303
  H     16.74628924      9.88216917    -16.90693158
  H     13.44867619      6.66327845    -11.92155910
  O     16.32533923      7.81777863     -8.93118920
  H     16.61449438      4.92966570    -10.32447697
  H     12.95830304      5.35732179    -12.58975641
  O     13.84649774     11.23781582    -16.80031100
  H     17.97082829      5.56979116    -10.65560808
  H     10.30171352     10.20255737    -12.76373077
  O     13.55777339      5.70022175    -11.91540865
  H     17.28321363      7.74930346    -16.11461993
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  H     16.36445734      7.55588169    -17.33289572
  H     13.36544507      9.43803994    -16.83502513
  O     13.17396902      8.52091284    -16.60085520
  H     13.19340984     11.47773546    -14.99986606
  H     13.71135611      7.93135689    -17.14668331
          69
 Energy    -250.29401064285076     
  O     -7.25586165     -2.52516126      5.10592248
  H     -6.47802856     -1.97653634      4.93391822
  H     -6.90836305      0.01676584      3.73406223
  O    -10.55066062     -2.08196669      2.43880926
  H     -7.53837899     -2.86476955      4.24880427
  H     -5.13330326     -0.02926450      5.29887065
  O     -8.18370396     -3.40437243      2.51937895
  H    -10.55271008     -1.41440774      3.13774529
  H     -4.76559635     -0.26154632      3.80817620
  O     -5.83812057      0.97317225      0.31620842
  H    -10.56033596     -1.59375312      1.60574209
  H     -2.10000431      3.13422185      2.02509718
  O     -4.95657862      1.27369422      6.61699300
  H     -9.07482360     -3.00954107      2.52496981
  H     -0.97798238      2.31339268      1.34302680
  O     -4.82792761      5.45082631      1.24679184
  H     -8.29640143     -4.33742488      2.35632687
  H     -9.41921972      3.15737036      4.46948789
  O    -10.27415585      1.95939190      1.04516664
  H     -6.47620354      1.60184229      0.69041749
  H     -8.02951409      3.84087975      4.41372257
  O     -9.00140744     -1.12220610      6.64616962
  H     -6.29005255      0.12128596      0.29358523
  H    -11.91222360      2.64115513      4.15830107
  O     -4.14310320      3.19635284     -0.14677083
  H     -4.57493274      1.27228310      7.48952809
  H    -10.84917425      1.52822119      4.00474941
  O    -10.12834293     -0.05328517      4.35020901
  H     -5.92378701      1.35458109      6.72624570
  H     -8.39683802     -1.04381268      0.44947087
  O     -4.05108984      0.79335822      2.47132401
  H     -4.85602368      6.19663160      0.65315827
  H     -7.60255501     -2.08917077      1.27850026
  O     -7.66033694      0.24407531      3.17407983
  H     -4.64522481      4.66687069      0.69897333
  H    -10.23633374      0.36456256      0.39887069
  O     -5.32187077     -0.58390663      4.53045080
  H     -9.36577173      2.28481100      1.11901542
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  O     -1.92097708      2.34973864      1.47575070
  H    -10.68927253      2.17948310      1.88760630
  H     -8.14699019      0.61632268      6.72719848
  O     -8.60105766      3.28984709      4.96042397
  H     -9.22788264     -1.62100473      7.42609355
  H     -8.00684520      2.05815616      6.13712036
  O    -11.09064277      2.42768236      3.72294910
  H     -8.37735825     -1.66814793      6.13425737
  H     -3.36295884      4.96981445      2.42512350
  O     -7.51862716     -1.25579830      0.79734495
  H     -3.31763432      2.89084238      0.24913154
  H     -3.30011671      3.99801723      3.61264243
  O    -10.14877073     -0.54953860      0.07278010
  H     -4.71716616      2.42075811     -0.18220770
  H     -4.66665177      2.41391081      5.19239673
  O     -7.60441420      1.41096231      6.73581750
  H     -9.26675237      0.09251721      3.92638371
  H     -4.46062373      2.14968594      3.67921898
  O     -2.74696457      4.46473794      2.97021953
  H     -9.93095750     -0.43131379      5.21592562
  H     -7.68947028      1.81886394      2.31216715
  O     -4.58636274      2.84908914      4.33540130
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  H     -7.30290328      3.30845137      2.14955272
  O     -7.63974396      2.54323507      1.66838806
  H     -3.22391613      1.17770102      2.15540670
  H     -6.05529195      4.98885611      2.62155182
  O     -6.55649742      4.50062814      3.28677017
  H     -7.59596708     -0.29639520      2.37493765
  H     -5.90725095      3.94398778      3.74395985
          69
 Energy    -250.29369316348235     
  O     -1.21846038     -4.51112627      3.45414125
  H     -0.50952070     -4.93326839      2.93672836
  H      1.07598058     -9.15104226      1.51592611
  O     -0.00280671     -4.00622279     -5.00379309
  H     -0.80855789     -4.15957397      4.23989921
  H     -5.46516288     -8.23110962     -0.92354554
  O      1.27307155     -7.33972980     -1.51953060
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  H     -4.88899698     -7.14189508     -1.85587672
  O     -6.21733076     -8.31061015      0.78379709
  H      0.13074564     -3.30759291     -5.63861944
  H      2.03121969     -4.15869887     -2.36986562
  O      0.40141721     -6.85728881     -5.25037927
  H      1.17182336     -7.79469849     -0.67528477
  H      2.52581315     -5.03467375     -3.53272706
  O     -2.83674026     -9.49435568     -2.48579986
  H      0.41124587     -7.35078204     -1.96296599
  H     -2.47722841     -9.26434003      0.76185969
  O     -2.40176852     -6.40606205      0.10443494
  H     -6.11069686     -7.40670570      1.13205471
  H     -2.11268985     -9.43017306     -0.75938478
  O     -2.02667457     -4.75828347     -3.20171022
  H     -7.09285584     -8.59677540      1.03002562
  H     -4.17275687     -3.32740316      0.72062515
  O     -5.71870006     -5.85204476      1.79566870
  H      0.23821459     -5.90932143     -5.33717675
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  H     -2.56325626     -5.82430209      3.21383438
  O     -3.73529653     -9.09224678      1.97559363
  H     -3.08448148    -10.24310670     -3.02066167
  H     -2.90233969     -6.38805597      1.82757615
  O      0.69230294     -8.45797836      0.98445223
  H     -3.65954841     -9.01977060     -2.26209199
  H      0.66299100     -4.35102288     -0.59860562
  O     -5.00096847     -8.09766286     -1.75909046
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  H      1.52528420     -5.59560111     -0.90674355
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  H     -1.38905593     -4.12505876     -1.58182128
  O     -1.77127663     -9.16522201      0.10214136
  H     -1.45602854     -4.38726259     -3.88509985
  H     -1.43178179     -4.91747350     -0.26476329
  O     -5.00826308     -3.54031002      0.26747969
  H     -1.73854938     -5.67741817     -3.08596263
  H      1.13647356     -5.27882081      1.21480150
  O     -3.15781388     -6.43340163      2.76319107
  H     -5.58915751     -5.04146076      1.29076293
  H      0.66419356     -6.65730726      1.70889255
  O      1.57390108     -4.68547474     -0.58095420
  H     -4.89698385     -5.99038058      2.28753664
  H     -2.01530481     -3.20333222      0.67113283
  O     -1.10364944     -4.09401021     -0.66007884
  H      2.37414508     -7.15266520     -2.91326764
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  H     -4.61252690     -8.95696258      1.59617164
  H     -0.63888029     -7.33591715     -3.87302593
  O     -1.06725314     -7.36415903     -3.00241763
  H     -3.52985528     -8.27630431      2.45229679
  H     -3.64975122     -5.05041966     -2.32742625
  O     -4.31379616     -5.40939048     -1.72333743
  H     -0.18712519     -8.77086706      0.70931002
  H     -4.59982389     -4.70140748     -1.13154514
          69
 Energy    -250.29358100480897     
  O     17.26349321      5.12996117    -13.55252961
  H     17.00489658      5.93078983    -14.02600979
  H     11.18865161      7.27302227     -9.20633404
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  H     17.67642299      5.43275984    -12.73509425
  H     12.60457289      6.15489093    -11.68430005
  O     13.60130348     11.81560694    -12.22946807
  H     14.29397525      7.35875816    -10.71596865
  H     13.74631985      6.33866492    -12.69632701
  O     18.27910173      6.35013576    -11.16563220
  H     14.75976640      7.71184168     -9.28078969
  H     14.09069156      3.56894756    -14.18929359
  O     15.74406125      2.89769377    -13.44870122
  H     13.28780200     12.62004936    -11.82347858
  H     12.61576643      3.88428259    -13.82845858
  O     12.53289871      9.57116981    -11.04098685
  H     13.17488784     11.08101295    -11.75791380
  H     15.17305294      6.65717871     -6.93559860
  O     13.20194340     10.70751463    -14.83530804
  H     19.20481016      6.54229303    -11.03616943
  H     15.46995984      5.98667790     -8.29926534
  O     14.70383973      3.76714755    -11.01709029
  H     17.84458083      7.19709302    -11.36562765
  H     12.23575660      2.49749174     -9.32068692
  O     16.29611097     11.02102203    -12.88938408
  H     16.31928316      3.67984858    -13.53606253
  H     13.20485193      3.37318592    -10.14699944
  O     15.75220147     10.14269221    -15.57977246
  H     16.20943781      2.16732007    -13.84658970
  H     16.09040700      8.44309315    -11.17380996
  O     16.34370752      7.65543692    -14.41158421
  H     13.33487878      9.14093977    -10.70832968
  H     16.76398164      9.49265369    -12.10294986
  O     10.65976250      7.97879302     -9.62210047
  H     11.80402257      9.17464578    -10.54874578
  H     17.15920326      5.47327315     -9.90321919
  O     13.56628447      6.17084325    -11.76122646
  H     13.28897400     11.22679623    -14.02626616
  H     15.95230025      4.50819474     -9.88295204
  O     13.31713566      4.06938810    -14.47029408
  H     12.59693457      9.98897425    -14.61198869
  H     13.04351818      6.12109351     -8.28306968
  O     14.83670414      6.55339872     -7.82126852
  H     14.32312141      4.60780325    -11.31804613
  H     12.14002062      5.06212287     -8.95919771
  O     12.31574904      3.34384020     -9.75420950
  H     15.06243139      3.33142869    -11.79992846
  H     14.64587811      6.98237975    -14.56306776
  O     16.82957749      8.58104338    -11.78310490
  H     16.21592830     10.83437128    -13.83316063
  H     13.59470268      5.79755399    -14.61949183
  O     16.50788703      5.06538539     -9.32060898
  H     15.43568592     11.36058178    -12.61446796
  H     10.93698618      4.66022534    -12.41223565
  O     12.14971820      5.96156127     -8.60960493
  H     15.94228255     10.54365979    -16.42361331
  H     11.55316500      3.52735542    -11.58580555
  O     13.71748853      6.74564728    -14.44982043
  H     14.81117827     10.31312693    -15.39496445
  H     10.53116613      6.97112557    -11.21940584
  O     11.33023728      3.77981992    -12.48775818
  H     16.49059670      7.94760587    -13.50075341
  H     10.90890348      7.15615515    -12.70886346
  O     10.73532359      6.48996677    -12.02999853
  H     16.22001588      8.45962201    -14.93202505
  H     12.47241105      7.92527704    -13.99416505
  O     11.80411304      8.54034856    -13.64824373
  H      9.91916162      8.14341626     -9.04464137
  H     12.12319446      8.87154353    -12.79791229
          69
 Ord_Energy   -250.293198    
 O   -5.05400372       6.37928438       4.10707760    
 H   -4.33735991       6.54979944       3.48592710    
 H   -5.16822720       5.41997099       4.10098696    
 O   -3.43599105       5.13564730       10.4968567    
 H   -3.55765891       5.62838030       11.3036537    
 H   -2.68684411       5.54456902       10.0255489    
 O   -2.11172271       8.09278297       7.04732418    
 H   -1.85145509       7.56294155       6.27417421    
 H   -1.79708552       8.97993183       6.89240742    
 O   -4.75369740       1.14070320       5.61176014    
 H   -5.09657764      0.258649856       5.81183386    
 H   -3.79052448       1.06381512       5.61376858    
 O   -4.90604687       7.29332829       6.73879337    
 H   -4.99985123       7.05734015       5.80308723    
 H   -4.02657175       7.67019129       6.84518147    
 O   -1.43065810       6.22530079       9.07746792    
 H  -0.699857891       5.70850706       8.71893883    
 H   -1.64501190       6.90215540       8.42324543    
 O   -4.69324970       3.56678224       4.28554487    
 H   -4.93554640       2.67861056       4.57427502    
 H   -4.08429718       3.88988805       4.96827555    
 O   -1.57345629       6.36303425       5.01577568    
 H   -2.12956977       5.68491554       5.43309212    
 H   -1.90017521       6.49288273       4.11658239    
 O   -2.57039762       3.78083825       2.49906874    
 H   -3.38327432       3.61118627       2.99732995    
 H   -1.88575912       3.25245214       2.92345285    
 O   -3.28430414       2.41666150       9.79823971    
 H   -4.05063820       2.34897828       9.20844460    
 H   -3.31726170       3.29811645       10.1903124    
 O   -3.01536036       4.40678072       6.33007431    
 H   -3.68862820       4.68852854       6.96354532    
 H   -2.43290997       3.79178381       6.79060364    
 O   0.609877586       4.51100731       8.02377415    
 H   0.634884953       4.51628780       7.04921579    
 H    1.51450455       4.49094343       8.32383347    
 O   -5.06353951       5.01380253       8.16893196    
 H   -5.15016985       5.87120867       7.72211599    
 H   -4.60946369       5.15847826       9.00760460    
 O   -3.47909760     -0.401275784       9.68122578    
 H   -3.26540613      0.515693724       9.89453793    
 H   -4.44286108     -0.431090385       9.61960506    
 O   -5.48069143       2.29523444       8.05007839    
 H   -5.51617670       3.26162124       8.02710533    
 H   -5.23461199       1.98168921       7.16821575    
 O   -1.95623577      0.749719739       5.87051058    
 H   -2.09077787     -0.107149132       6.29464483    
 H   -1.70963085       1.37046862       6.57485533    
 O   -5.38178825      -1.34576392       6.62559557    
 H   -4.46337795      -1.56268859       6.82932901    
 H   -5.78096247      -1.08251488       7.46439838    
 O  -0.631441653       2.20187593       3.92902160    
 H   -7.21064433E-02   1.62417400       3.41373181    
 H   -1.10666943       1.63336861       4.55639505    
 O   -6.25381947     -0.128915086       9.09170151    
 H   -6.09710693      0.772913933       8.76293850    
 H   -7.09726429     -0.115805387       9.53656578    
 O   -2.58525538      -1.53909338       7.37974739    
 H   -2.83499718      -1.14512014       8.23498917    
 H   -2.12980556      -2.35354185       7.57662439    
 O   -2.66402602       6.47613907       2.45945430    
 H   -2.54859543       6.83784580       1.58563757    
 H   -2.59982514       5.50673246       2.37468338    
 O   0.463223070       4.47207308       5.33300924    
 H   0.142094463       3.70329714       4.84770107    
 H  -0.138317600       5.19889307       5.11963558    
 O   -1.41550779       2.60267854       7.78723860    
 H   -1.97465396       2.53005528       8.57324886    
 H  -0.667490423       3.17700672       7.98985147    
          69
 Energy    -250.29232383657677     
  O     -5.78484285      0.74939700     -1.19547843
  H     -5.14967868      1.47736912     -1.12075663
  H     -0.85800978      3.92912576      4.41494246
  O     -2.91511269      0.95564990     -4.61785468
  H     -6.30779288      0.77179896     -0.38417765
  H     -1.31641325      4.41758677      1.94259992
  O     -6.92566902      0.95336246      1.37108358
  H     -2.41049839      0.13364376     -4.58161900
  H     -1.09568756      4.62443143      0.41326575
  O     -1.18361479     -1.17927014      2.96111381
  H     -3.82967778      0.71062997     -4.43040731
  H     -3.38181503      2.24014478     -0.14538928
  O     -1.88465590     -1.30697404      0.23236263
  H     -6.45879913      1.72413611      1.74026297
  H     -4.16688193      3.56111247     -0.37040808
  O     -1.54093200     -1.51552762     -4.04831316
  H     -7.82586214      1.00443684      1.68220382
  H      0.10196027      1.89841080      3.19640484
  O     -4.53547630     -1.69492256     -0.43984409
  H     -0.55224322     -0.44611969      2.98958669
  H      0.67191320      1.22926990      1.94089494
  O     -0.66078771      0.06244247     -1.90847193
  H     -1.32340075     -1.38786571      2.02866421
  H      0.36035328      4.65421218     -1.72751254
  O     -1.90473902      2.52998169     -2.62801313
  H     -2.77891945     -1.55101941     -0.04439288
  H     -0.75706329      3.58654522     -1.78158646
  O      0.43086333      1.66187290      0.13379566
  H     -1.42927265     -0.94449799     -0.53873683
  H     -4.58248684     -1.57488135     -3.48411176
  O     -3.48449282     -0.76278450      4.26771861
  H     -1.16863816     -2.19465397     -4.60392716
  H     -4.16005430     -2.27414178     -2.18357509
  O     -0.98723101      3.48940516      3.57769764
  H     -2.38518539     -1.86235112     -3.70699324
  H     -3.34742336      1.03187556      3.87974594
  O     -1.66268498      4.85836694      1.15702838
  H     -4.81690712     -1.75852364      0.48566454
  H     -2.90274060      1.68247400      2.54893319
  O     -3.93085026      2.72306719     -0.78452976
  H     -4.91441749     -0.86756166     -0.76356268
  H     -5.88476098     -0.55300977      2.00910368
  O      0.48552010      1.07439506      2.87694400
  H     -0.81620779     -0.53077313     -2.65441157
  H     -4.75273226     -1.14537773      2.88770680
  O     -0.16592446      4.07459810     -1.18234955
  H     -1.11152531      0.88947226     -2.12817963
  H     -2.30586745      0.38946532      0.77399048
  O     -3.98241923     -2.24465290     -3.13310097
  H     -2.67103626      2.64797985     -2.04793539
  H     -1.37188406      1.60591764      0.78118136
  O     -3.20975090      1.88430949      3.44777126
  H     -2.22668463      2.09640260     -3.43178370
  H     -4.57489466      5.93407141      0.60440165
  O     -5.33484112     -1.33446890      2.14267099
  H      0.41138566      2.52718520     -0.29317729
  H     -3.36888819      5.02103123      0.93374316
  O     -2.29258872      1.34663385      0.90921011
  H      0.26330053      1.00812174     -0.55869964
  H     -6.36909793      0.12536107     -4.31607484
  O     -4.32653518      5.02577273      0.75170804
  H     -2.63647448     -0.97026570      3.83059142
  H     -5.71772951      0.32096095     -2.92952487
  O     -5.54238741      0.04951148     -3.84586092
  H     -3.50637561     -1.26574594      5.07689086
  H     -5.20838020      3.78012868      1.89283536
  O     -5.53840984      3.03477179      2.40751271
  H     -1.80122583      2.96413860      3.66138387
  H     -4.77527463      2.68517471      2.88767391
          69
 Energy    -250.29043210218663     
  O     12.24103304      3.00141952     -9.78523990
  H     11.83402257      2.50780772     -9.07782603
  H     17.90965753      5.43429676    -13.88425919
  O     17.86540407      5.19268854    -10.23349080
  H     12.83210219      3.65218728     -9.36690713
  H     11.74661205      7.89714501    -14.52109360
  O     14.31583544      8.33687373    -12.24052965
  H     17.83731958      5.12062238    -11.19654295
  H     10.76881185      6.72216394    -14.40500672
  O     15.68078063      8.72816383    -16.58321884
  H     17.39934927      4.42480683     -9.88236137
  H     14.12903295      5.46331660    -10.62411245
  O     17.35226274      7.75112017     -9.54251153
  H     14.20856556      7.39825453    -12.01299979
  H     14.44487583      5.07481378    -12.10389329
  O     14.10974765      4.78339855     -8.86310448
  H     13.81859758      8.81797284    -11.56988883
  H     13.78541653      2.32624467    -10.85086055
  O     16.32843106      3.06378253     -9.19509404
  H     15.80019176      9.42229127    -17.22547924
  H     14.82016261      2.64778887    -11.96581252
  O     13.58552518      8.00173806    -14.87070219
  H     16.47281946      8.72762921    -16.01626347
  H     12.02136311      8.53409443    -10.49822190
  O     15.93122184      5.87129761    -16.78018820
  H     18.02393854      8.07311156     -8.94674957
  H     12.29258330      9.84016058     -9.71765380
  O     17.86015897      8.48167218    -14.99018442
  H     17.56131487      6.81543695     -9.72045868
  H     10.81918679      7.75803219    -12.35003957
  O     18.38755614      5.72345727    -15.63685313
  H     14.93733814      4.28792984     -8.82328963
  H     10.85580447      6.62765859    -11.32259923
  O     17.48430458      5.42655127    -13.01751587
  H     14.28685156      5.70808104     -8.62924777
  H     17.27465788      8.11467532    -11.38680676
  O     10.87452945      7.65400473    -14.18258440
  H     16.68305160      2.34535198     -8.67829995
  H     16.09167944      8.28815078    -12.35408910
  O     14.00068818      5.72509040    -11.54359327
  H     15.80161233      2.66407916     -9.91057991
  H     14.00924514      8.01796128     -9.09173838
  O     14.68644938      2.15236535    -11.14517297
  H     14.24785804      8.36096209    -15.47279816
  H     15.51436311      7.64688097     -8.96949965
  O     12.71943462      9.06485955    -10.07181848
  H     13.85639012      8.22282013    -13.96770135
  H     16.03273313      4.37010157    -13.22745980
  O     10.87515710      7.58722214    -11.39783573
  H     15.14051829      5.51364501    -16.35752845
  H     14.67739658      4.28939246    -14.00134293
  O     17.04442779      8.11663111    -12.32353799
  H     15.78236758      6.82186436    -16.86276609
  H     12.27632050      5.22230812    -11.79037661
  O     14.63112763      7.42900336     -8.64760802
  H     18.20692356      7.60682058    -15.20393842
  H     11.48682220      4.09151166    -11.11901397
  O     15.17670187      3.91859489    -13.26023222
  H     17.67247615      8.47389313    -14.04170084
  H     11.04820475      4.69655028    -13.52198258
  O     11.40853433      4.78905138    -11.77979212
  H     19.01192491      5.30449208    -16.22243106
  H     10.24099631      4.17865729    -14.73491719
  O     10.96301754      4.75128042    -14.48921350
  H     17.52132248      5.69924844    -16.08276603
  H     12.74616652      4.95289499    -15.08507535
  O     13.66230691      5.23712741    -15.18628595
  H     17.29034842      6.34948167    -12.79888332
  H     13.65498104      6.19717761    -15.05321356
          69
 Energy    -250.29008734194338     
  O     15.40940786      9.42928841    -15.42307650
  H     14.54598296      9.00586215    -15.48389603
  H     20.12465077      4.13619492    -16.41637267
  O     13.51278679      3.25909143    -15.81257109
  H     15.85223619      9.28696486    -16.26933885
  H     19.28544211      7.13093536    -15.72622457
  O     18.19109705      6.13509464    -12.12784206
  H     14.33274123      2.97421460    -16.25837853
  H     17.91989849      6.65749224    -16.24267720
  O     19.48976513      4.88102952    -17.85202587
  H     12.84579867      2.61053527    -16.02055962
  H     15.75536899      5.64936605    -16.01065332
  O     17.02137640      4.17116527    -19.10728818
  H     17.79810611      5.26697464    -12.29564460
  H     16.92644452      4.77363080    -15.43362879
  O     14.07733457      6.55916655     -9.98326479
  H     17.62191540      6.78340271    -12.56982217
  H     13.19250286      7.52448305    -14.22723926
  O     14.22486915      4.07697233    -13.19108364
  H     18.69215835      4.58240634    -18.30491622
  H     12.09046280      8.26987232    -15.01533190
  O     16.40554353      7.61005175    -13.62343667
  H     19.29931317      5.77379200    -17.53366945
  H     16.47121128      2.37586675     -9.11582208
  O     17.70442767      3.12770755    -15.03012997
  H     16.56857096      5.03197167    -19.06131720
  H     15.44233020      3.22300378     -9.90536589
  O     13.83058230      3.72789402    -10.41286999
  H     17.00701626      3.90559674    -20.02361129
  H     13.70109185      4.98965778    -16.46036044
  O     15.84018091      2.64475562    -17.00155278
  H     13.79353956      7.10286352     -9.25340383
  H     13.58295265      6.52899620    -16.21287938
  O     20.36634380      3.79156333    -15.53688975
  H     15.03408012      6.41223070     -9.86748657
  H     19.58457217      6.31498511    -13.46470618
  O     18.68173850      7.21029481    -16.47851234
  H     14.07428046      5.03128075    -13.14387221
  H     20.28095556      5.49265268    -14.57072049
  O     16.60179704      5.67462399    -15.54910581
  H     13.94374536      3.77320307    -14.06162205
  H     16.84688792      3.32699062    -11.55064303
  O     12.94195419      7.84985989    -15.10849680
  H     16.18363489      8.39511268    -14.14289658
  H     15.96527848      3.79165860    -12.73684314
  O     16.39357208      3.08944436     -9.74269368
  H     16.51759769      6.89088394    -14.26537794
  H     17.31960039      6.13238233    -10.43260807
  O     14.04327175      5.85244130    -16.72594997
  H     17.51277371      3.17549889    -14.08311654
  H     16.72707269      4.98981019     -9.58561081
  O     20.11013885      6.39339689    -14.27042725
  H     18.65186785      3.27157572    -15.14906057
  H     16.10469419      7.36681183    -18.57788660
  O     16.88146984      3.63368334    -12.46429527
  H     13.75804153      4.66179584    -10.17860625
  H     15.01516425      6.33600134    -18.20860108
  O     16.70380164      5.94631420     -9.71214296
  H     13.82564296      3.70336422    -11.37946513
  H     14.83416554      7.13755767    -12.98245245
  O     15.71048573      6.53085862    -18.85252790
  H     16.21231698      3.11173774    -17.75922370
  H     13.87877113      6.81469833    -11.79821289
  O     13.93890753      6.83415540    -12.76112312
  H     16.53255669      2.63890030    -16.32473674
  H     17.67140229      8.37326186    -17.32765289
  O     16.96479366      8.87352235    -17.77283726
  H     21.18835404      3.32033704    -15.64166638
  H     17.39172744      9.57459588    -18.25930961
          69
 Energy    -250.28991832901352     
  O     13.03226400     12.15927862     -8.78563717
  H     13.06633086     12.32707879     -7.84767379
  H     13.32369962     14.75378780    -12.20117722
  O     11.13740937     10.83216144    -15.49042889
  H     13.80224354     12.60834536     -9.18027657
  H     12.61137589     13.01715450    -17.20433893
  O     13.48722382      9.58963572     -9.95615248
  H     11.52552557     10.87131641    -16.37334551
  H     12.02942862     13.83558295    -16.03570745
  O     11.12059087     12.58614726    -10.80316766
  H     11.09273531     11.74278269    -15.16694967
  H     13.76050088     11.08301909    -13.39558761
  O     11.19327651      9.83549692    -11.55852403
  H     13.37582645     10.41818433     -9.47486499
  H     14.93493784     11.76936240    -12.62002517
  O     12.87962391      9.56384723    -13.75127304
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  H     16.81381406     12.44814103    -14.75275869
  O     14.86834792     15.65683318    -11.62312515
  H     11.64265598     12.45777250    -10.00134964
  H     17.48623523     11.07687141    -14.69431083
  O      9.23379741     10.08242949    -13.48725833
  H     11.65101054     13.16834966    -11.36765381
  H     12.46004740     10.94083927    -18.80026805
  O     15.12357125     13.27264904    -15.39398152
  H     10.43892605      9.73511039    -12.15760254
  H     13.46449121     10.99851188    -17.62431069
  O     15.09458438     10.91763178    -17.00942859
  H     11.19535098     10.76621286    -11.29837126
  H     15.04108796      9.13801939    -10.55815785
  O     10.89480656     13.47993025    -14.51389723
  H     12.33750499      9.54674023    -12.95074509
  H     16.34010190      8.33354869    -10.31660338
  O     12.70160825     14.08393654    -12.50387473
  H     12.31214439      9.90694073    -14.45500441
  H     14.49939791      8.71694942    -13.77426761
  O     12.75947950     13.80504189    -16.66664656
  H     15.50807991     15.43127692    -12.32082152
  H     15.62305379      8.51436421    -12.73612258
  O     14.17952883     11.93010532    -13.19897466
  H     15.00452756     16.57727589    -11.41440467
  H     17.63243880      8.77173415    -15.87534248
  O     17.47463249     11.94340758    -14.26453370
  H      9.76252060     10.20552029    -14.28669375
  H     16.48154683      9.04799750    -14.87660629
  O     12.54625950     11.19315953    -17.88509369
  H      8.96184827     10.96863335    -13.21868259
  H     16.43817277     10.65292789    -11.42358585
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  H     14.77062042     12.76994047    -14.64194171
  H     16.96558709     11.64725915    -12.52027712
  O     15.42260254      8.44473162    -13.67659747
  H     14.35797691     13.60449177    -15.88645437
  H      8.18225697     13.22044286    -12.14168547
  O     17.06217285      9.45944981    -15.54317968
  H     15.74636230     10.33155275    -16.60892569
  H      9.61308630     12.73205669    -11.83030894
  O     16.49123067     11.58337332    -11.67923893
  H     15.18846280     11.76135680    -16.54998975
  H     17.29503971     14.26599420    -13.51393723
  O      8.94363792     12.79693423    -12.53101198
  H     10.09049066     13.34036576    -14.00057835
  H     16.02641206     14.51373452    -14.33228640
  O     16.56168120     14.87594177    -13.61115368
  H     11.54781271     13.80370190    -13.87592179
  H     15.08764580     14.17154385    -10.44070137
  O     15.15661593     13.34108549     -9.95645652
  H     13.23017292     13.29609729    -12.71496024
  H     15.72120064     12.76190454    -10.48655284
          69
 Energy    -250.28982714499824     
  O     12.85930135     10.10657518     -9.48677192
  H     12.50432113     10.98533038     -9.30400163
  H     15.24361438      7.08269329    -11.86347480
  O     14.56565775     14.18692080    -12.29941297
  H     13.80782121     10.21841925     -9.64440731
  H     11.84724494      5.73052241    -10.57011981
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  H     14.75543596     13.83756897    -11.40994316
  H     12.81810304      6.08419989     -9.41661122
  O     12.15957321     11.00992903    -13.70017471
  H     14.93577679     15.06462967    -12.33607455
  H     11.79253001     12.52162520    -12.60271339
  O     14.80811820     11.90582927    -13.90923247
  H     12.53019655      8.57508005    -15.75378498
  H     12.71215344     13.68222951    -12.17462506
  O     12.05887675     12.77379326     -9.30551545
  H     11.52802634      9.21989244    -16.74019430
  H     13.96934928     10.05441480    -16.27466838
  O     15.62261182     10.39787427     -9.85755823
  H     12.00067167     10.52917130    -14.52172700
  H     14.96834983     10.91037086    -15.48214607
  O     14.86753195     13.12320607     -9.82151731
  H     13.08282541     11.30053188    -13.73930169
  H     17.01953558      7.39722017     -8.59346730
  O     14.09808946      8.22270739    -12.65747998
  H     14.80126485     12.75317301    -13.44863558
  H     16.22010652      7.28471369     -9.91149216
  O     12.71887364      5.14553749    -13.62456990
  H     15.39255723     11.31487513    -13.41030452
  H     13.72532154      4.53943638    -10.89182388
  O     10.79294213      6.50846040    -11.97385879
  H     11.42239951     13.28980360     -8.81873021
  H     14.48208404      3.23785934    -11.25814159
  O     15.91898064      6.49522145    -11.49123192
  H     11.90318735     12.94949884    -10.25115193
  H     17.17627936      7.73901346    -14.22640918
  O     12.52583987      5.36268133     -9.99350733
  H     15.89565081     10.34754280    -10.78543362
  H     17.19831582      7.23331928    -12.76709858
  O     11.87279918     13.24894408    -11.97312838
  H     15.92592850      9.57671678     -9.45185236
  H     16.64928930      7.60889014    -16.65179386
  O     14.91165406     10.22266287    -16.15876554
  H     15.24593831     12.23877906     -9.73195700
  H     15.78997630      8.70296565    -15.97841293
  O     16.27776764      7.76415391     -9.06789435
  H     13.96395729     13.06371401     -9.48736067
  H     13.24879281      6.37284411    -14.75561673
  O     14.38779650      4.15536129    -11.49773876
  H     13.26553067      8.48983378    -12.25198332
  H     14.40686763      7.18360735    -15.47321963
  O     17.64052603      7.83028812    -13.38455505
  H     13.88720105      7.89368284    -13.53980552
  H     14.42066158      7.55596547     -8.58264127
  O     16.14358514      7.80198754    -15.86587537
  H     12.01669586      5.54980930    -13.09830400
  H     13.13446989      8.38816735     -8.72113308
  O     13.47977409      7.20162496    -15.20376180
  H     13.32094880      4.73436718    -12.99331496
  H     15.38214760      9.44077116    -12.58483334
  O     13.45967619      7.50156518     -8.52242267
  H      9.84035081      6.45320641    -11.97417213
  H     16.89904761      9.41662081    -12.80300754
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  H     11.01607947      7.45023673    -11.88935491
  H     11.97382804      9.46303076    -10.89869900
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  H     11.71874476      9.80873104    -12.40177854
          69
 Energy    -250.28954023704910     
  O      2.00386768     -0.04152508      3.28954767
  H      1.41688366      0.36017508      3.94123424
  H     -1.91453603     -1.74321112      3.02857993
  O      2.17839681      1.78398432      1.05673685
  H      2.06922647      0.57112851      2.54698099
  H     -4.59203081      1.89066702      4.62302425
  O     -0.31967183     -4.00326645     -2.83221978
  H      1.31183540      2.21104199      0.93025477
  H     -4.30589440      0.85106785      3.51555403
  O     -1.87894860     -0.21340435     -3.86403929
  H      2.82889484      2.48171029      1.04202429
  H     -2.61688117      0.35579445     -0.57729148
  O      0.63667671     -1.49994054     -3.31862993
  H      0.07126405     -4.62022502     -3.44510220
  H     -3.31356114     -1.01048913     -0.23943575
  O     -1.41439677      2.14194923      3.13943642
  H      0.10409562     -3.14137765     -2.99515449
  H     -2.04972078     -3.18908945     -3.01617107
  O     -4.60707300     -2.94253309      2.33922133
  H     -2.30181141      0.03191834     -4.68244354
  H     -3.19928165     -2.72110906     -2.10862635
  O     -1.22326735      1.09267275     -1.46945802
  H     -2.29902225     -1.04095678     -3.56791850
  H     -1.27657397      0.44778924      2.38960898
  O      1.37967267      0.06286479     -1.08674861
  H     -0.13209023     -1.00526242     -3.62841967
  H     -2.05978902     -0.30542843      1.28862791
  O     -4.93750803     -0.09784783      2.22066553
  H      1.04925779     -0.94827774     -2.64165858
  H     -0.65805451     -4.16587002     -0.98287908
  O     -0.34618998     -4.34069813      2.77593957
  H     -2.30554330      2.00676555      3.48889121
  H     -0.33057979     -3.20040350      0.17070108
  O     -2.21119505     -2.49036091      3.57034548
  H     -0.80136412      1.95711714      3.86334153
  H      1.22430249     -2.16078660      1.37447948
  O     -3.89517133      1.37425469      4.22718209
  H     -5.11026743     -3.63060897      2.76687123
  H     -0.03749194     -1.27415337      1.17848751
  O     -3.27246093     -0.07087001     -0.00936116
  H     -3.78204406     -2.84115988      2.84540686
  H      0.48584699      1.39393110      6.03408009
  O     -2.82112849     -2.60884779     -2.98995927
  H     -0.32729572      0.75286089     -1.33530165
  H     -0.55832318      0.47937590      5.35081554
  O     -1.36755429     -0.40797297      1.95639397
  H     -1.48829682      0.79457689     -2.34938197
  H     -2.11756515     -1.25169732      4.98211598
  O     -0.85931225     -3.98134811     -0.05731979
  H      1.14833389     -0.68323904     -0.50985104
  H     -2.75412193      0.14387167      5.15050005
  O      0.61774975     -1.81354915      0.70873474
  H      1.81723188      0.69561645     -0.50722079
  H      2.95533020     -3.03611356      3.05760134
  O      0.19359248      1.07634741      5.18373249
  H     -4.98886074     -1.05706368      2.30533848
  H      2.07483908     -1.76679547      3.11993054
  O     -2.04483605     -0.42480846      5.47650068
  H     -4.48209278      0.06198272      1.38213807
  H     -2.54477355     -3.28418833     -0.11444357
  O      2.07304137     -2.71473684      2.89173386
  H     -0.50423864     -4.42174013      1.82659250
  H     -3.90294591     -2.97121672      0.57308975
  O     -3.39626388     -2.83892085     -0.23655315
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  H     -0.79356646      2.69942601      1.46952530
  O     -0.28987409      2.82473353      0.65375390
  H     -1.58703234     -3.21240701      3.40876809
  H     -0.77408836      2.38893898     -0.05720895
          69
 Energy    -250.28924542030222     
  O      2.80177950     -1.42122317      7.06128964
  H      3.48012921     -1.42704833      6.36976051
  H      2.96853487      2.89112572      4.31456567
  O      0.47423911     -4.72777331      2.86720822
  H      2.37413507     -0.55484695      7.03766112
  H      1.05421916      1.93606230      3.82621153
  O     -1.24936928     -2.23339826      7.15577104
  H      0.42698309     -5.05796649      3.77377962
  H      0.39224827      0.52635834      3.69273137
  O      3.29306136     -5.71250346      6.54227525
  H     -0.28447932     -4.14469475      2.74300939
  H      4.82857293      1.17626761      1.25380733
  O      4.48603008     -1.48300170      4.87748194
  H     -0.55629717     -2.20679978      6.47797327
  H      3.99079451      0.20772431      2.11683172
  O      4.38102825     -4.25698267      4.57733988
  H     -1.10245723     -3.05477834      7.63894604
  H     -1.35967273      1.22522099      4.85540631
  O      2.23858680     -3.82565121      8.40983301
  H      3.83638162     -6.47565260      6.71759894
  H     -1.91737210      0.90079563      6.24600568
  O     -1.06952073      0.38196734      7.98486115
  H      3.74297666     -5.20152015      5.84450783
  H      3.68993349      3.29176189      6.78596571
  O     -0.33472397     -4.64938463      8.24266030
  H      4.99832662     -0.66298216      4.92299385
  H      2.81853376      2.06317757      6.45266574
  O      3.14937967     -1.36397382      2.37552922
  H      3.97803225     -1.43712663      4.05693166
  H      1.57582376     -2.15165507      5.96516312
  O      5.53924483      1.03737959      4.76097565
  H      4.57126421     -3.32553127      4.75186521
  H      0.88337902     -3.42147883      5.37612480
  O      2.56999366      2.81728144      3.43857819
  H      3.96161393     -4.28926198      3.70928084
  H      3.21360701     -4.73183151      1.34166235
  O      0.37768247      1.35173154      4.19616948
  H      2.48933471     -2.95028506      8.08553488
  H      2.08924725     -4.35207139      2.33159593
  O      4.41461249      1.08151900      2.10818411
  H      2.71539542     -4.46213477      7.86189101
  H     -2.60805825     -0.76683286      4.81686666
  O     -2.16243578      0.94322047      5.31548465
  H     -1.53838811      0.53375383      8.80147043
  H     -2.41269483     -2.06530439      5.59868159
  O      3.56445665      2.59991413      6.14059162
  H     -1.17870295     -0.56019352      7.77052159
  H     -2.07325666     -2.47672389      3.30122675
  O      0.86823340     -2.45658842      5.38193116
  H      0.57551019     -4.33103004      8.39065264
  H     -2.36395164     -2.91713469      1.84907104
  O      3.00784583     -4.15611382      2.07362386
  H     -0.55492211     -5.21129017      8.98029635
  H      0.16900050     -5.18082871      6.45038856
  O     -2.68539962     -1.72937241      4.73821752
  H      2.20741862     -1.19702463      2.52929144
  H      1.56503873     -5.53245169      5.89410946
  O     -1.66574528     -2.84010827      2.49352741
  H      3.21272464     -2.30095299      2.15283558
  H      0.60780188      0.86616872      7.30210278
  O      0.67283070     -5.26564631      5.63177746
  H      5.28210555      1.16245161      3.83842149
  H      1.04822069      1.08000053      5.83809897
  O      1.38523533      0.98237299      6.74255463
  H      4.94882508      1.59754502      5.28060075
  H      0.64461003     -1.59609458      3.87615240
  O      0.50228639     -1.14592775      3.02655171
  H      3.18862016      2.29878249      2.90944702
  H     -0.24753423     -1.59792348      2.62488432
          69
 Energy    -250.28907534072169     
  O     12.31637696     11.87277784    -13.69322716
  H     12.40545292     11.38138551    -14.52318091
  H     14.33345678      6.08323200    -15.26593730
  O     14.82937908      6.63662864    -13.62319763
  H     13.10068058     12.42860182    -13.63556009
  H     15.84233376     11.65965384    -16.44879557
  O     17.89856612      9.69377417    -12.19927658
  H     14.36280189      6.55627075    -12.78133528
  H     17.02163946     11.71194606    -15.43616297
  O     18.54550993     10.78229916    -14.65836495
  H     14.75043061      7.56824960    -13.88413897
  H     14.22998224      9.60232323    -14.95642960
  O     11.88019269      7.84039015    -15.75943020
  H     18.14249674      9.45282329    -11.29705418
  H     15.70718770      9.06937196    -15.00664197
  O     15.68395580      8.50178811     -8.77301798
  H     17.03748206     10.13702776    -12.14558183
  H     11.66568238     10.90389618    -12.42068567
  O     13.52977130      6.79110215    -11.20362720
  H     19.42959511     11.14093223    -14.67890832
  H     10.49439666     10.67524949    -11.43675335
  O     15.42243710     10.82992233    -12.27852818
  H     18.40257929     10.44314601    -13.75876010
  H     17.81670515      6.28372236    -11.52859326
  O     15.49557738      8.00818718    -17.62408604
  H     11.68254000      7.74857235    -14.81432984
  H     18.10218524      6.98581177    -10.19111638
  O     15.38703026      5.71006343     -9.38236268
  H     12.50646968      7.14267954    -15.97754323
  H     11.34845745      8.60811056    -12.59963072
  O     17.42326760      8.43277143    -15.69840174
  H     15.50981021      7.55417111     -8.82989549
  H     12.04375286      7.25556978    -12.39112548
  O     14.04868307      5.98112524    -16.18903790
  H     14.96139221      8.93335283     -9.24797744
  H     16.61977508      6.83226763    -13.33094920
  O     16.22251321     12.16886241    -15.72284695
  H     14.06368451      6.30848501    -10.56098434
  H     17.61852032      7.94794288    -12.87972425
  O     14.95327792      9.23788233    -14.42945019
  H     13.60588200      7.72785922    -10.96937015
  H     17.33312029      8.77262976     -9.24823262
  O     11.33131688     10.31628648    -11.71890509
  H     15.25904512     11.73486202    -12.56850370
  H     18.79124714      9.07777227     -8.82935926
  O     17.79863521      6.15266023    -10.57221459
  H     15.20641200     10.26134202    -13.03642848
  H     14.91092359     10.92119912    -18.73814420
  O     11.48513639      7.74377284    -13.00618889
  H     14.95606314      7.30419186    -17.24592884
  H     15.12131464      9.69054962    -17.82656731
  O     17.55963891      7.05713321    -13.25431181
  H     16.29490012      8.05004573    -17.07900539
  H     12.85014066      9.80475086    -10.78941942
  O     18.25257161      8.81278194     -9.56991943
  H     15.42209994      4.93277310     -8.83144020
  H     14.35002958     10.00905930    -11.08286091
  O     14.93827132     10.64727922    -17.82501800
  H     16.25071142      5.77903080     -9.82665342
  H     15.31434792     12.88765721    -14.41220564
  O     13.73243736      9.51161376    -10.52790285
  H     17.59235447      7.81235290    -14.97669176
  H     15.01106502     14.15677219    -13.58144373
  O     14.85495229     13.21724989    -13.61888902
  H     17.92620882      9.23082545    -15.49561720
  H     12.43959468      9.47560038    -15.98975944
  O     12.87112918     10.34397453    -15.92322404
  H     13.97209629      5.04360729    -16.34916662
  H     13.41687211     10.48926653    -16.70353496
          69
 Energy    -250.28699906373316     
  O     -2.77133139      3.72756213      1.25416903
  H     -2.17358004      3.01863923      1.52982860
  H     -3.86431086      0.23817772      0.41163163
  O     -1.88020835      3.63090090     -2.44401381
  H     -3.30133003      3.37671317      0.52715820
  H     -5.73937105      2.52245263     -0.01986269
  O     -0.83578961      1.75380915      1.78161284
  H     -1.81436541      4.11747695     -3.26179427
  H     -6.63048816      2.97336214      1.18252835
  O     -3.89240787     -2.86019359      1.57552481
  H     -1.49932558      4.19863598     -1.74976604
  H     -0.52136498      2.27940364     -2.01967086
  O     -1.23568722     -2.36889367      1.66234182
  H     -0.06484451      2.27118637      1.51681702
  H     -0.17736999      0.97482645     -1.25686356
  O     -4.37419491      0.79902893      2.03389969
  H     -0.94203610      1.07415607      1.10048149
  H     -3.80325023      4.41575944      2.58760379
  O     -6.95324993      4.26654910      2.45837271
  H     -4.32488487     -2.47474525      2.35064190
  H     -4.26569725      3.85561007      3.93980608
  O     -7.71135431     -0.48679805      3.69032102
  H     -4.48466566     -2.69347786      0.83366190
  H     -3.99917953      1.73911452     -0.98742800
  O     -5.68014341     -2.02569855     -0.50634951
  H     -2.18572364     -2.57812968      1.60525744
  H     -3.45655917      3.04903262     -1.60699022
  O     -5.06994209     -1.41510428      3.63557200
  H     -0.77591755     -3.20077356      1.73734256
  H     -4.11761433      1.73297329      3.61638650
  O     -3.24372184     -0.40871246      5.54283000
  H     -4.66633403      0.00647021      2.50453220
  H     -3.84187848      1.33752927      5.07496421
  O     -3.75552928      0.00628305     -0.52516843
  H     -5.15331953      1.24999407      1.67825188
  H     -0.04460710      4.55952168     -0.03676355
  O     -6.37647680      2.21631664      0.63892886
  H     -6.05039486      4.46920061      2.76648756
  H     -1.53136666      4.74908010      0.30222812
  O      0.20923875      1.76994963     -1.64987241
  H     -7.43395120      5.08919468      2.44962264
  H      0.95984287      2.66995698     -0.34366276
  O     -4.41942819      4.57753509      3.31666617
  H     -7.51531423      0.44170800      3.91336616
  H      2.17389804      3.20753941      0.45279260
  O     -4.13442941      2.69832987     -1.01578981
  H     -8.50460308     -0.72302156      4.16313675
  H     -7.14085619      2.81423828      3.69818078
  O     -4.18679888      2.05245658      4.52921024
  H     -6.16583121     -2.53422898     -1.14972254
  H     -6.05581271      2.06012268      4.48824669
  O     -0.84759955      5.00521342     -0.33329131
  H     -6.33193536     -1.48022640     -0.02947906
  H     -1.24911276     -1.05147122      3.03745676
  O      1.22119926      3.18232004      0.44357867
  H     -4.55139658     -1.12863482      4.39877579
  H     -1.14340453      0.48266342      3.14942670
  O     -6.99430581      2.04227266      4.25650504
  H     -5.99711185     -1.18823721      3.78263882
  H     -0.97934924     -1.03596039      0.37853386
  O     -1.32528337     -0.31744737      3.65881352
  H     -2.51189983     -0.38476873      4.89718255
  H     -1.99155969     -0.20151876     -0.43573103
  O     -1.05745986     -0.25634230     -0.18483037
  H     -2.87183191     -0.69774932      6.37110555
  H     -7.57441467     -0.47429650      1.77552466
  O     -7.37494337     -0.39544949      0.83568161
  H     -4.37915626     -0.70868117     -0.69674905
  H     -7.16586256      0.53604081      0.67987316
          69
 Energy    -250.28603111803505     
  O     12.03601093     11.49713678    -12.76135250
  H     12.53374175     11.43949097    -11.93485830
  H     17.59416347     13.26325330    -15.40165394
  O     19.90181698      7.37987191    -11.39316705
  H     11.94494309     10.58696947    -13.06781556
  H     14.18352947      9.05633807    -15.84750820
  O     17.42436316     11.09394189    -11.54010583
  H     19.55904665      6.84699906    -12.13398729
  H     12.76264721      9.23040435    -15.28759464
  O     16.16088273      6.97451545    -12.97794943
  H     20.47281081      6.81008815    -10.88441034
  H     15.42860109      9.98417744    -13.91679211
  O     13.44338169      6.98885263    -12.05331499
  H     17.09351111     11.79821420    -10.97111251
  H     14.93477407     11.44536390    -13.68118354
  O     18.80692908      6.12125252    -13.53700777
  H     16.73880262     10.95998829    -12.21668959
  H     13.54096588     12.13702440    -17.69064563
  O     13.90898052     12.87174674    -14.24785586
  H     16.55547781      7.49700610    -12.26339136
  H     13.70866479     11.01630192    -16.63666869
  O     18.18022402      9.83876368    -15.73992358
  H     15.23744441      6.83984903    -12.73745477
  H     14.36143779      9.36857997    -10.18737779
  O     17.33710030      8.41656023    -10.88161205
  H     13.09621487      6.18235053    -11.67978191
  H     15.56435271      8.39382689    -10.19227878
  O     16.83492357     12.20719032    -16.54774835
  H     13.80823897      7.50492406    -11.31009889
  H     20.43201788     10.01144970    -13.43538807
  O     20.03328170      7.74001333    -15.57647763
  H     19.11357756      6.57465095    -14.33184429
  H     20.61829725      8.69027327    -12.64043166
  O     18.07293489     13.76049502    -14.71345385
  H     17.85444975      6.26964170    -13.47305816
  H     15.17130622     13.84336676    -13.34361346
  O     13.31691186      9.44229724    -16.04640582
  H     13.84826129     12.66281480    -15.18751324
  H     16.69555367     14.07171741    -13.42411988
  O     15.35857259     10.68571350    -13.26045417
  H     13.14023047     12.48633547    -13.79983055
  H     16.04180407     13.86360632     -9.68710936
  O     14.00327386     11.91017934    -16.88833440
  H     18.51072701     10.35986492    -14.99418214
  H     15.93735646     13.58629752    -11.20701330
  O     14.60300819      8.43536354    -10.10894772
  H     18.80059549      9.10870574    -15.85663761
  H     14.58936053     11.82490482    -10.50059584
  O     20.89378532      9.16206626    -13.43558464
  H     18.23331017      8.05976645    -10.90726981
  H     14.44530474     10.84122230    -11.67621025
  O     15.93557397     14.15218144    -12.83640406
  H     17.41509862      9.36811783    -11.04192098
  H     18.95786557     12.27165821    -13.97837507
  O     15.95308191     13.16386758    -10.32757238
  H     15.89557640     12.07163545    -16.71647069
  H     18.66276830     11.30233350    -12.81529546
  O     14.05840420     11.08558094    -10.82036746
  H     17.24182927     11.33553284    -16.46235851
  H     11.04248942      8.35488255    -13.67224619
  O     19.18938192     11.40538673    -13.62128469
  H     20.74542892      7.44826496    -16.13938262
  H     12.46059802      8.14651517    -13.10787893
  O     11.91342953      8.74625771    -13.63696735
  H     20.43864610      8.23553090    -14.84052679
  H     16.62922715      9.01918627    -15.40513471
  O     15.77829385      8.64736251    -15.13504136
  H     18.49260463     14.49678762    -15.15108677
  H     15.94954168      7.98418216    -14.45326927
          69
 Energy    -250.28601301284880     
  O     13.27435247     11.69459907    -15.66873306
  H     13.38108198     10.83397893    -16.09631758
  H     19.95685719      5.61714867    -12.55796025
  O     14.81295910      6.58267819    -12.95546233
  H     14.14830087     12.10220629    -15.67409712
  H     16.93931207     10.03996474    -17.49281004
  O     17.43298390      9.89530632    -11.25109340
  H     14.10329035      7.00409881    -12.45319171
  H     18.06959339     10.26450456    -16.44795186
  O     19.51058450      9.54167216    -15.50262216
  H     15.60228356      6.62797180    -12.39756230
  H     15.35797832      7.87482346    -14.06146175
  O     11.88630902      7.17927882    -15.94949415
  H     16.88429298     10.14066657    -10.49767150
  H     16.21728290      7.97678960    -15.33789231
  O     13.04533346      8.05668356    -11.38167723
  H     17.02043330     10.30395915    -12.02768696
  H     12.26355043     11.50782150    -14.28283834
  O     16.04301441     10.86746383    -13.41255415
  H     20.38035387      9.82120328    -15.78032715
  H     11.00115507     11.94421529    -13.49964772
  O     16.57822447      6.68685438    -16.67531251
  H     19.53821496      9.49368827    -14.53069060
  H     11.83976669      8.19172282    -12.79956867
  O     14.92071303      7.59133760     -9.40580429
  H     11.68353782      7.60284265    -15.09538001
  H     11.43308081      9.43497183    -13.61314338
  O     18.99087395      6.72390396    -15.34549540
  H     11.06749829      6.81592635    -16.27540437
  H     19.01273522      9.51023864    -12.18235415
  O     14.29272151      5.61742813    -15.56262338
  H     13.30538127      8.97714502    -11.52401750
  H     19.66663965      8.20945602    -12.68326879
  O     19.32099316      6.31372333    -12.69654085
  H     13.54358470      7.76682976    -10.60374456
  H     17.14721574      8.05523263    -11.32069824
  O     17.35331347     10.70103557    -16.92748624
  H     16.07080040     11.57511375    -14.06533699
  H     17.79087394      6.71193375    -11.72761227
  O     15.72614046      8.50488361    -14.69711489
  H     15.98745822     10.03296121    -13.90567951
  H     15.13262329     11.10627930     -8.74549843
  O     11.72953332     11.32926120    -13.48735833
  H     15.77418354      6.22560681    -16.38768463
  H     14.73040820     10.64237817    -10.16340599
  O     11.42076830      8.47077647    -13.62435595
  H     16.35056063      7.25616031    -17.41852747
  H     15.00548111      8.93846216    -17.89666818
  O     19.65914606      9.16620300    -12.81166749
  H     15.10328137      8.52382995     -9.23737899
  H     15.54085627      8.85961454    -19.34647165
  O     17.00179756      7.09893391    -11.32789169
  H     15.67301357      7.26658388     -9.91755407
  H     13.05908238     11.04352339    -12.23019316
  O     15.33356395     10.46478224     -9.42237324
  H     19.21411773      7.64846941    -15.50641314
  H     14.58768642     10.82388456    -12.34707162
  O     15.80388649      8.79078281    -18.43226492
  H     18.19062699      6.55430196    -15.86127194
  H     16.34909682     13.46081963    -15.81251067
  O     13.83750974     10.75438981    -11.73818681
  H     13.44501478      6.04086689    -15.73929215
  H     16.47927928     11.95201458    -16.13238385
  O     15.97861412     12.60622803    -15.61061135
  H     14.45661329      5.75798328    -14.61956382
  H     13.07148209      8.46332542    -16.50335741
  O     13.78522110      9.10564278    -16.60599404
  H     19.17692444      6.37423298    -13.65847834
  H     14.41240748      8.93420199    -15.88678334
          69
 Energy    -250.28576696026443     
  O     17.99585766      8.44657194     -9.88601044
  H     18.12490135      8.25578678     -8.94757072
  H     18.61080899     11.77678853     -9.51706281
  O     14.15306753      8.28704336     -9.39200413
  H     17.27723387      9.08671234     -9.96234228
  H     19.04163309      8.88501880    -12.65779408
  O     20.01342286      3.79934585    -13.03372302
  H     14.73580291      7.66166787     -8.92553489
  H     19.10469955      8.86263373    -11.11658705
  O     21.56755349      7.21280264    -11.53190134
  H     13.32966292      8.30180761     -8.91112915
  H     22.66501450      5.83264392    -14.23691012
  O     19.37879654      6.70815496    -15.32950650
  H     19.21004165      3.92320903    -13.55330874
  H     21.77707973      6.37559768    -13.09570776
  O     22.57160157      7.88110529     -9.01078539
  H     20.66416915      4.39873483    -13.42020247
  H     17.13491730      4.98841939    -14.01433450
  O     15.86155219      6.57305460     -8.16559311
  H     22.02217766      7.43158683    -10.70850083
  H     17.14650512      3.90024097    -15.11034009
  O     20.40588210      6.26378414     -8.01290895
  H     20.92836286      7.91973153    -11.70074347
  H     15.23745784      9.69649233     -9.88844042
  O     18.25135777      7.76556392     -7.21803785
  H     20.23539315      6.49049262    -14.94207694
  H     15.86820255     10.30765477    -11.17632689
  O     17.42216201      5.78270441    -10.38459558
  H     18.84104992      5.91057139    -15.23526234
  H     16.52370558      9.49256238    -13.36734990
  O     19.05722217     10.43330279     -6.73867612
  H     22.14242687      8.73307835     -8.81234410
  H     15.57747103     10.65779980    -13.73072586
  O     17.92375997     11.73315658     -8.84036592
  H     23.43257779      7.90322055     -8.60184254
  H     20.60205898     10.24863910     -7.82355487
  O     19.60186122      9.12670235    -11.90997295
  H     16.58964323      6.95282570     -7.65546533
  H     20.96231914     10.71977495     -9.24565417
  O     21.75933628      5.90614310    -13.94618440
  H     16.28493557      6.05383509     -8.86205990
  H     14.14228175      7.85809088    -11.26390748
  O     17.71194144      4.48884053    -14.61671033
  H     20.26062183      5.64839123     -8.74243078
  H     14.61788625      8.57874236    -12.53860625
  O     15.93011927     10.28888197    -10.21229398
  H     21.18776048      6.77220134     -8.25789055
  H     18.33913110      7.86171884    -14.44781985
  O     15.80898772     10.05631510    -13.02708633
  H     18.55237234      8.62422155     -6.89792750
  H     17.25420228      7.51001789    -13.41223583
  O     21.28337582     10.19279421     -8.50448807
  H     19.02905635      7.20655698     -7.37854710
  H     20.47956086     12.19161040    -11.31543504
  O     14.24969486      7.74753131    -12.21688028
  H     18.30042025      5.38048196    -10.40644126
  H     19.94734026     10.74156568    -11.24378456
  O     17.74465104      8.25341130    -13.79107117
  H     17.57172338      6.73158640    -10.25500276
  H     15.47472495      6.51623637    -12.70035780
  O     20.09141352     11.55068508    -10.72510619
  H     18.58963607     10.92272382     -7.43942730
  H     16.67380972      5.83766206    -11.98060211
  O     16.29984037      6.03503429    -12.85252394
  H     19.01408014     10.97152408     -5.95261206
  H     20.55838622      5.76403684    -10.84686916
  O     20.06774978      4.98727753    -10.54791529
  H     17.14501462     11.35913793     -9.27301476
  H     20.03090129      4.40009819    -11.31707570
          69
 Energy    -250.28497852996199     
  O     15.49364084     13.23555050    -11.17868407
  H     14.94563530     13.94986046    -11.49316402
  H     19.59056106     10.22399015    -11.45368572
  O     17.46720444      6.77283777     -4.44483875
  H     16.21704197     13.64434488    -10.67144260
  H     20.37740510      8.62303446     -7.69590740
  O     17.50526058     12.91711895     -7.26592555
  H     16.59349896      7.12290442     -4.69392302
  H     20.86843232      9.94297845     -8.35500894
  O     15.04609728      7.93078533     -4.98898030
  H     17.33947057      5.85358059     -4.22559433
  H     17.43751443     14.00638350     -8.79536794
  O     20.16541408     13.41219793    -10.36916538
  H     17.66097586     12.21757633     -7.92172491
  H     18.43619171     14.10521230     -9.96036565
  O     19.86983678     13.00803084     -5.89214673
  H     16.87734699     12.54581464     -6.63241864
  H     17.72532283      8.23761803     -3.20673923
  O     20.16154742      8.51057928    -11.08914990
  H     14.85210764      8.35015296     -5.83664846
  H     18.23392737      9.67219631     -3.41491259
  O     17.38571613      8.36063681     -8.14483631
  H     14.94861886      8.62546763     -4.32598766
  H     14.86227077      8.38229596    -12.46762640
  O     16.04287331     11.27842941     -5.57551962
  H     20.81330991     13.84318260    -10.92137156
  H     16.14339033      8.47310214    -11.60412977
  O     14.91820655     10.79535230     -9.88805510
  H     19.88881087     12.60634877    -10.84125304
  H     16.71415290     10.88827854     -9.44366456
  O     14.98370854      9.43745513     -7.39640377
  H     19.03733927     13.09580627     -6.38897566
  H     18.19873332     10.98333855     -9.92023618
  O     19.23275552     11.12023833    -11.46220435
  H     20.04962524     13.85728667     -5.49770333
  H     19.25116252     11.38003706     -5.16793822
  O     20.72382462      8.99764008     -8.51206193
  H     20.38002589      8.63965301    -10.14657169
  H     17.81890537     10.79683886     -5.23406148
  O     17.52373686     14.29964050     -9.71220429
  H     20.88933331      8.03174191    -11.47571210
  H     18.79821819      7.53314754     -5.56288261
  O     17.73263117      9.11474091     -2.80346744
  H     18.03674829      8.15432405     -7.46407572
  H     19.19225101      9.01014521     -5.75727276
  O     15.40869811      8.99211781    -11.97990810
  H     17.61881627      9.24139161     -8.47929476
  H     18.38029263      7.87002407    -11.03094669
  O     17.63300162     10.91277417     -9.14245034
  H     15.68247847     11.03947909     -4.71297947
  H     17.37724863      7.72623134     -9.87761503
  O     18.72890297     10.59333950     -4.97540940
  H     15.64868587     10.67034773     -6.21735657
  H     20.76480945     12.17197068     -7.34782852
  O     19.29130335      8.12688433     -6.14310691
  H     14.95256439     11.67188081    -10.29334047
  H     20.79040779     12.34911594     -8.87481349
  O     17.45640326      7.66884846    -10.83996703
  H     14.97034183     10.14952864    -10.60705948
  H     14.78931011     10.34015006     -2.31833817
  O     21.02531627     11.73728872     -8.16797849
  H     15.78772846      8.94657313     -7.63197400
  H     16.11261919      9.78340845     -2.89870725
  O     15.23090706     10.12424307     -3.13473125
  H     14.73221226      9.92110700     -8.19208361
  H     16.38513535     12.00814556    -12.35762477
  O     16.86721569     11.29679856    -12.79774010
  H     18.45938639     11.14980018    -12.04629765
  H     16.34897800     10.49466867    -12.65449724
          69
 Energy    -250.28478809020811     
  O     -7.69098473     -2.18328605      6.42992408
  H     -8.51230796     -1.77198479      6.13380964
  H     -4.17953863      0.89686740      2.00164008
  O     -8.94578877     -2.81694353      3.23182895
  H     -7.08441377     -1.47568975      6.68026422
  H     -6.41455099     -0.97360697      3.32380474
  O     -6.88992712     -4.07378610      4.69218357
  H     -9.52553969     -2.45919046      3.91660094
  H     -7.93975814     -1.13550785      3.26658601
  O     -5.07696760      0.38792635      0.46485035
  H     -8.29859084     -3.37753874      3.67885171
  H     -5.11704087     -0.29249490      6.28018133
  O     -7.26503752      1.47929236      5.30537656
  H     -7.13447543     -3.43208445      5.38575027
  H     -5.26512957     -0.04860205      7.80179437
  O     -5.59706973      5.02873250      0.27286286
  H     -6.80620015     -4.92333923      5.11565059
  H     -2.64781523      3.97539500      2.04849671
  O     -9.95662550      0.10466293      0.43160097
  H     -5.17373590     -0.56526615      0.36262979
  H     -1.18472493      3.55941994      1.75650937
  O     -4.07823714     -0.53308977      4.91095369
  H     -5.97227249      0.73089704      0.60738120
  H     -8.70825019      2.45055245      4.54561284
  O     -4.03839125      2.88954651     -0.38358577
  H     -6.82250305      1.05313378      6.04845447
  H     -8.83824543      3.30765696      3.27350227
  O    -10.20769474     -1.36705206      5.26775490
  H     -7.30936646      0.80242941      4.61280009
  H    -10.21426697      1.28159994      3.45397463
  O     -5.72830737     -2.38602335      0.42396126
  H     -5.63998249      5.64038428     -0.45712444
  H    -10.48507797      0.25489675      2.32237705
  O     -3.74211128      1.26611845      2.78099929
  H     -5.08100360      4.26171269     -0.03352593
  H     -5.29762488     -2.51943007      2.24674577
  O     -7.23967989     -0.47371832      3.30896860
  H     -9.13003246      0.59144098      0.59568191
  H     -5.70014598     -3.09598458      3.64477397
  O     -5.76433625     -0.16755664      6.99860872
  H    -10.42225477      0.57668993     -0.25418734
  H     -8.69399847     -2.60764966      1.44132351
  O     -2.08803262      3.26374866      1.68822484
  H     -3.84758844      0.14694271      4.26508901
  H     -9.00515057     -1.55344218      0.37007715
  O     -9.34979993      2.79255199      3.90798054
  H     -4.30740847     -1.30839206      4.38067231
  H     -4.43518622      4.54945763      3.24273482
  O    -10.55822206      0.39381450      3.27124344
  H     -3.26553462      2.98420266      0.18728831
  H     -4.48905109      5.22513623      1.85862869
  O     -5.17472455     -2.41826888      3.19889417
  H     -4.35942533      1.98920267     -0.24585683
  H     -4.87695773      2.46128988      3.56567775
  O     -8.43503487     -2.30773316      0.55805540
  H    -11.01949327     -1.44081640      5.76249116
  H     -6.04887006      2.64251810      4.55985837
  O     -3.90825695      5.05860446      2.61156196
  H    -10.36182501     -0.68571862      4.58720771
  H     -7.57001954      2.16387858      1.45998033
  O     -5.45980681      3.12327386      3.96439935
  H     -6.70204847     -2.34853597      0.42986207
  H     -7.50326808      0.67922802      1.95707297
  O     -7.59572187      1.24156383      1.17208125
  H     -5.48377271     -3.01364539     -0.25119993
  H     -6.71553049      3.63490001      2.77297251
  O     -7.37570780      3.82994797      2.09012448
  H     -3.04982188      1.85656587      2.45826804
  H     -6.91190678      4.33622675      1.41235316
          69
 Ord_Energy   -250.284622    
 O   -1.78751504      -3.17335820     -0.628267407    
 H   -2.28887439      -2.57542920      -1.19342375    
 H   -1.20546103      -2.61638641      -9.57226232E-02
 O   -2.19331193      -3.33708811      -4.22792244    
 H   -2.73800397      -2.75097108      -3.69297123    
 H   -1.27876318      -3.15326023      -3.96230626    
 O  -0.365898997       2.94062781      -4.40116167    
 H   0.591108859       2.80500436      -4.27837133    
 H  -0.546332181       3.84602690      -4.16194010    
 O    4.50216198      -1.73959112      -1.57786262    
 H    4.39229012      -2.58684635      -2.04809523    
 H    5.42188072      -1.67761922      -1.33399272    
 O  -0.167981222      -5.16267729      -1.62960029    
 H  -0.526687443      -5.57115936      -2.43175364    
 H  -0.841433525      -4.58924294      -1.23312604    
 O  -0.382710963     -0.522255659      -6.02074814    
 H  -0.325775445      0.298049510      -6.53230619    
 H  -0.830158472     -0.301912397      -5.19519043    
 O    2.85467100      -3.34580010E-03  -3.02852297    
 H    3.50588346     -0.525627017      -2.54474139    
 H    2.00948048     -0.130128801      -2.57266760    
 O    2.30319834       2.46269941      -4.24904823    
 H    2.58542681       1.69983435      -3.72660089    
 H    2.60752726       2.28671908      -5.14788961    
 O    4.55941111E-02   1.97228301      -7.09917688    
 H    1.00903988       1.93591464      -7.15357304    
 H  -0.157126337       2.42719817      -6.27184820    
 O   0.423674196      -2.94443250      -3.23905706    
 H    1.13686395      -3.17758131      -3.84525919    
 H   0.290996015      -3.69702840      -2.64719200    
 O   -3.21569490      -1.37471569      -2.47633839    
 H   -4.08563948      -1.01133847      -2.32869768    
 H   -2.68394852     -0.666522264      -2.87526774    
 O   0.419145077     -0.585298002      -1.90224779    
 H   0.294417858     -0.764979899     -0.963601112    
 H   0.423054606      -1.44468868      -2.35702682    
 O   -1.15832317      -3.09699678      -6.79400778    
 H   -1.72780776      -3.23180723      -6.02363682    
 H  -0.863257051      -2.18078399      -6.71061277    
 O    4.02075481      -4.10118484      -2.77484345    
 H    3.48889065      -4.64215660      -2.17844129    
 H    3.53532457      -4.03966570      -3.60901189    
 O   0.548878133      -5.15907192      -6.43723631    
 H   -5.92089891E-02  -4.42769098      -6.65111160    
 H   0.585403502      -5.71912813      -7.20814562    
 O    2.39451575      -5.38274240     -0.801653445    
 H    2.55005646      -6.22142315     -0.375202507    
 H    1.45996559      -5.37642956      -1.07332575    
 O    2.50351906      -2.73800588      0.241953418    
 H    2.49136496      -3.66507339      -2.72827093E-02
 H    3.18121862      -2.31351733     -0.296786278    
 O   0.140506953      -1.52960455      0.708064497    
 H   0.122185007      -1.17917681       1.59415567    
 H   0.997890115      -1.98168898      0.601268530    
 O   -1.08661914      -5.91418409      -4.10855103    
 H   -1.68974507      -5.15992212      -4.17118645    
 H  -0.487046123      -5.81834650      -4.85705900    
 O    2.32754564     -0.930959582      -5.61650562    
 H    2.54202485     -0.638889313      -4.71816301    
 H    1.36913693     -0.840087891      -5.73323202    
 O   -1.45764863      0.473988593      -3.56794834    
 H   -1.21264386       1.36854649      -3.83542562    
 H  -0.780900955      0.180231974      -2.93707013    
 O    2.88026404       1.48259819      -6.87610960    
 H    3.60225558       1.45904970      -7.49880934    
 H    2.77900386      0.579897463      -6.53154659    
 O    2.44365668      -3.66217446      -5.03354120    
 H    1.87876546      -4.21034670      -5.59438896    
 H    2.49429154      -2.77534747      -5.41593027    
          69
 Energy    -250.28442661049917     
  O     -1.79771314      4.55181406      4.50369416
  H     -2.15047522      5.27145020      5.01994862
  H     -0.33465389      1.15923330      3.51392505
  O     -2.86720008      2.71243251      2.61333290
  H     -1.37101809      3.93954642      5.13079658
  H     -3.26296319     -0.35675023      2.01622353
  O     -0.38562266      2.85548951      6.09080790
  H     -2.73322358      3.41935951      3.25418758
  H     -3.55297792      0.96163676      2.77765879
  O      1.26896745     -3.45128803      1.30378623
  H     -2.00758538      2.26588497      2.56267421
  H     -1.12675190     -0.33323295      5.09201046
  O     -0.14503921      0.45606224      0.24521778
  H     -0.41975132      1.91573806      5.86538072
  H      0.40756456     -0.27326307      4.78823467
  O     -2.44126286     -1.04533091      0.50201687
  H      0.53842268      3.11366201      5.98295524
  H      0.42102458     -3.75279685      4.13339448
  O     -4.13344229      0.64222269     -0.93248000
  H      1.67224181     -2.58497125      1.15793251
  H      1.62239036     -4.54517516      4.70748354
  O     -0.24358496      2.88748331     -1.15777324
  H      1.44829131     -3.67539137      2.22513347
  H     -0.45785819     -3.55733632      1.04478356
  O      2.11647256     -0.77496744      1.19854384
  H     -0.19485303      0.86626374      1.12546341
  H     -1.64370747     -4.41194435      0.54254245
  O     -2.66942225     -1.33853372      4.94842429
  H     -0.14045921      1.18355635     -0.38736935
  H      2.95808256      4.02311052      5.81718405
  O     -1.28187505     -3.56258658      3.88505916
  H     -2.17120256     -1.96021691      0.64272994
  H      2.64724609      2.78783905      4.93889760
  O     -0.31944072      1.63557557      2.67373909
  H     -1.62918686     -0.53754189      0.35570709
  H      3.03537096      2.25756991      1.05524924
  O     -3.63312348      0.00145885      2.83417007
  H     -3.59254867     -0.03613120     -0.49924783
  H      4.50259107      1.79673712      0.89368451
  O     -0.35595152      0.24760055      5.07497094
  H     -5.03931144      0.41626029     -0.73208686
  H      1.87584828     -0.94366175      3.02507334
  O      1.39470683     -3.80188912      4.15649303
  H     -1.15324287      2.99021216     -0.82183183
  H      1.79530422     -1.99567717      4.15656059
  O     -1.42994012     -3.61675720      1.02428150
  H     -0.26475141      3.13156028     -2.07898289
  H      2.84402067      0.52754999      4.22385860
  O      2.26235802      3.59556406      5.32580526
  H      1.32267930     -0.41844958      0.77275443
  H      3.46633388      1.48801545      3.19020443
  O      3.67749874      1.57283978      1.31595900
  H      2.76525809     -0.06115847      1.18039072
  H     -0.17540433      4.51424373      3.46399589
  O      1.83842005     -1.04670716      3.98684710
  H     -3.34234112     -1.40468291      5.62064359
  H      1.27625235      4.13280575      3.85023370
  O      3.24645361      1.39948451      4.12598482
  H     -3.06611010     -0.85941082      4.19770656
  H     -2.89282267      3.00075986      0.75345333
  O      0.67701275      4.24578649      3.09934330
  H     -1.79414889     -2.83487655      4.25816031
  H     -3.28187574      2.22147102     -0.52170130
  O     -2.75611683      2.96773148     -0.20117405
  H     -1.47421708     -3.58275377      2.93959591
  H      1.15559088      3.34581389      0.02864858
  O      1.86400262      3.47708510      0.67063009
  H      0.13507581      2.47547361      2.81289751
  H      1.46456928      3.90307756      1.44037297
          69
 Energy    -250.28316238342538     
  O     15.77273127      9.45711106    -15.27374274
  H     15.47613033     10.31250099    -15.61052251
  H     18.86726606      5.89686266    -13.18020408
  O     16.96833608     10.08074777     -9.14146085
  H     16.12880363      9.65531696    -14.39165208
  H     17.23894895      8.77242834    -10.29877302
  O     15.19317300     12.14051669    -15.49600709
  H     17.25247680     10.96110512     -9.41401269
  H     16.50391149      7.67539737    -11.15878549
  O     14.19905802     10.48296868     -8.68084206
  H     16.03850308     10.17440596     -8.89661468
  H     16.60149557      5.33398071    -15.75035424
  O     13.98880472      7.71132251    -14.10419493
  H     14.78389287     12.17209625    -14.62115901
  H     17.55594816      4.83445667    -16.86220884
  O     18.11065094      8.08150394    -15.58041875
  H     16.10523907     12.43315640    -15.37841910
  H     18.52222030     11.96116353    -15.48498673
  O     19.22577775      7.80338801    -13.01052521
  H     13.70440414     10.41237798     -7.86889027
  H     18.32500862     13.46197011    -15.80151632
  O     13.24017155      8.66370042    -10.43254376
  H     13.82883314      9.82054910     -9.29122935
  H     14.57102669      6.02657231    -14.72364955
  O     12.34586261      9.70314214    -12.94493241
  H     14.58713281      8.27643876    -14.61466954
  H     15.26548457      4.81725580    -14.06058356
  O     14.24921140     11.66671181    -12.81090613
  H     13.29533169      8.29511896    -13.77377947
  H     17.32303401     10.86560286    -12.73550734
  O     14.69510556     12.75889550    -10.33340052
  H     17.96374738      7.17471524    -15.87438891
  H     16.79857291      9.52333802    -12.15731896
  O     18.44784549      5.05793554    -13.40417757
  H     17.24978930      8.52625622    -15.59424200
  H     20.05185490     10.41707709    -14.87959392
  O     17.31522536      8.19436648    -11.07352901
  H     18.77611439      7.91306757    -13.86175640
  H     19.07455040      9.66044385    -15.79242506
  O     17.51192135      5.39460638    -16.09222161
  H     18.57330213      7.90695652    -12.30004504
  H     19.42139113     11.49159569    -12.68313844
  O     18.03447852     12.76243081    -15.22112010
  H     12.82794605      9.00575820    -11.23470556
  H     18.48262794     12.47651346    -13.45054875
  O     15.07440016      5.22455736    -14.91462244
  H     13.80987790      7.93666870    -10.71511020
  H     15.28699259      5.90632456    -11.76553414
  O     16.61120259     10.21891456    -12.79967465
  H     11.49788669     10.05964959    -13.19674706
  H     14.67584330      7.12380899    -12.50573529
  O     19.50074827     10.51865145    -15.66437121
  H     12.97040020     10.44910085    -12.93005166
  H     21.55069439     10.01690128    -12.77088678
  O     18.68214374     12.10624265    -12.57953715
  H     15.04738022     11.11858230    -12.79034812
  H     20.20964474      9.27670160    -12.97504649
  O     14.98547000      6.81501172    -11.64182723
  H     14.27459481     12.17719481    -11.98914732
  H     18.00347665     12.57060174    -10.98448834
  O     20.64654686     10.14292239    -13.04681137
  H     15.65338916     12.84559508    -10.26322147
  H     18.09734888     13.39176230     -9.68165371
  O     17.58258766     12.71986363    -10.12282799
  H     14.45596250     12.04627504     -9.72615171
  H     16.09829055      3.46698145    -11.95896827
  O     16.04223183      4.33049853    -12.35875925
  H     18.26858208      5.09494361    -14.35252472
  H     16.94007354      4.56227598    -12.65670918
          69
 Energy    -250.28237106023545     
  O     14.64700663     13.42373112    -10.32884236
  H     13.97579407     12.81370475     -9.99902674
  H     12.58877074     11.33778991    -14.74762421
  O     13.48374689     12.74714195    -17.43780460
  H     15.47806539     13.16850352     -9.90382279
  H     11.95306341     14.99232083    -15.79533437
  O     15.35409785      9.09599238    -12.06897491
  H     13.18532154     11.87639514    -17.14201088
  H     12.91941452     13.86366906    -16.22864376
  O     16.01713069     15.58678405    -11.72030482
  H     14.42217342     12.64328005    -17.63689712
  H     18.68786512     13.01920749    -13.02006314
  O     13.00599161     10.30564629    -16.13105737
  H     15.29688552      8.19263985    -12.40411345
  H     19.90757272     12.57551581    -13.86227500
  O     14.93693190      6.57904163    -13.20101041
  H     15.97003665      9.58224112    -12.63437809
  H     12.17552351     11.15924624     -8.99480359
  O     14.93430598      7.26296395    -15.81953717
  H     15.71007279     15.56251385    -12.63600154
  H     12.75237250     10.81477754    -10.38600135
  O     14.94151733     12.49461789    -12.93782308
  H     15.38533929     15.06460857    -11.21157576
  H     16.75878102     12.29733171    -18.58199217
  O     12.70560110     10.01893479    -11.98630298
  H     12.58828620      9.43720301    -16.16347556
  H     16.66376120     12.75654382    -17.10657479
  O     15.75699117      9.93793964    -16.14843307
  H     13.96334062     10.15941361    -16.10314708
  H     12.04528744      7.60052477    -15.00340102
  O     17.29761661     13.74226533    -15.85848011
  H     15.31976598      5.71671368    -13.06597267
  H     11.37151687      7.15215826    -16.32377941
  O     12.44436690     11.94109306    -14.00165226
  H     15.00960360      6.77658152    -14.15240832
  H     14.69042671     10.43721636     -9.34408281
  O     12.60741790     14.38272205    -15.46464286
  H     15.32227097      8.12391962    -16.02679443
  H     15.59392223      9.68151186    -10.33493681
  O     18.95486681     12.56768198    -13.84269317
  H     13.99615953      7.32898402    -16.03617952
  H     16.64300709     11.52247801     -9.35145021
  O     12.94223603     11.27365354     -9.55046180
  H     14.85538834     12.79841632    -12.02471651
  H     17.46618538     12.45741758     -8.43460361
  O     16.26245233     12.17391757    -17.77755933
  H     14.05948756     12.28737382    -13.27349372
  H     17.67997815     11.20947680    -13.77821996
  O     12.08615905      7.67664277    -15.97381215
  H     12.50532201     10.68166380    -12.66132095
  H     16.18220948     11.39390176    -13.45193690
  O     15.59527107     10.13161290     -9.47891221
  H     13.63900940      9.77007186    -12.07546471
  H     13.08185481      7.09350790    -13.12190170
  O     17.07353827     12.39410734     -9.30152778
  H     16.18156210     10.18167203    -15.31365590
  H     12.23158942      8.32991028    -12.76249876
  O     16.84230008     10.73524606    -13.72627990
  H     15.98937865     10.62186303    -16.78918512
  H     17.48953358     14.48066867    -11.64472100
  O     12.22145025      7.50732215    -13.26718293
  H     17.90505093     13.39550028    -15.19454134
  H     17.87325621     13.24136955    -10.80792062
  O     18.12257082     13.75103107    -11.58693527
  H     16.63277127     14.25991362    -15.38522558
  H     14.32725092     14.89035702    -14.76054855
  O     15.19962946     14.85611894    -14.35234397
  H     12.33993694     12.82189486    -14.38159975
  H     15.21004949     14.02453774    -13.85250987
          69
 Energy    -250.28216866717381     
  O     -1.56360377     10.81036021      8.37943191
  H     -2.41635851     11.24862054      8.47658359
  H     -1.24698542     10.81215711      1.73852559
  O     -5.44373094      8.48828178      4.28694708
  H     -1.75591592      9.87384126      8.23834608
  H      0.01530817     11.22769011      5.55310834
  O     -1.68469360     14.20717038      5.41671171
  H     -5.31596823      8.76125826      5.20326527
  H     -0.79542302     11.42944785      6.89362020
  O     -4.44533135      9.62907376      6.76219879
  H     -5.99284083      9.16884579      3.87722940
  H     -4.32418075     13.41545222      7.14675231
  O     -6.78609241     10.71401124      3.12467534
  H     -2.56718265     14.12970954      5.79927904
  H     -4.72580556     13.57092307      5.65847202
  O     -0.94825926      8.11309173      5.27084917
  H     -1.18183024     13.42947562      5.69851720
  H      0.33744072     10.52272600      3.53071450
  O     -4.92210026     11.23128856      0.96213093
  H     -3.81048836      8.99930679      7.12996995
  H      1.73274930     10.07905177      4.03118750
  O     -4.26948826     13.78616324      1.89279789
  H     -3.96131495     10.10357741      6.06728200
  H     -1.46857916     14.82174012      2.34083645
  O     -2.23382285      8.13782685      7.64341561
  H     -6.29047590     11.40841184      3.59049290
  H     -1.62721467     13.95801106      3.60641325
  O     -2.86382299      8.57598031      3.33564534
  H     -7.70134638     10.98355857      3.12099603
  H     -2.66630461     17.05699825      5.19531483
  O     -2.61777272      9.83062696      0.84029104
  H     -1.60144079      8.11874109      4.55582234
  H     -1.52726938     16.03676576      5.20074418
  O     -0.59528473     11.27556694      2.27704889
  H     -0.25048584      8.71315349      4.98435225
  H     -1.57678586     16.89271590      3.20890023
  O     -0.60210439     11.80202101      6.02054105
  H     -4.74998224     12.16589197      1.14557040
  H     -1.09216469     17.40226984      1.83005284
  O     -4.34617317     14.04370476      6.41560316
  H     -5.61719975     10.96161982      1.57212582
  H     -4.47650467     11.10131839      7.80756544
  O      0.81594884     10.13409548      4.28625050
  H     -4.50046174     14.71763991      2.01809483
  H     -4.82052810     11.85643099      9.10968584
  O     -1.58116232     13.91077924      2.64016286
  H     -3.32103818     13.72411251      2.07457093
  H     -3.55171555     16.63860861      2.38000558
  O     -1.73849673     16.94925185      4.95370647
  H     -2.08332790      7.30784956      8.08705516
  H     -4.56991250     16.54528762      3.53203418
  O     -1.61566709     16.72522218      2.24979090
  H     -1.73938426      8.09938716      6.80391817
  H     -4.52621776     15.77900526      5.88596419
  O     -4.29707646     11.91182883      8.31302550
  H     -2.80772513      8.87791942      2.42149587
  H     -5.18261574     17.17089655      5.98582910
  O     -4.47430346     16.43273001      2.57886796
  H     -3.79543053      8.42864334      3.55975617
  H     -2.16156168     11.24169451      5.17612664
  O     -4.55366429     16.66052628      5.48098258
  H     -2.50811731      9.48462053     -0.04142097
  H     -2.84019970     10.19088968      4.23521611
  O     -3.00444301     10.95118468      4.80863876
  H     -3.45339660     10.33067193      0.84249270
  H     -4.87536480     13.07019492      3.41417282
  O     -5.09206013     12.58107311      4.22091749
  H     -0.88718919     12.19443760      2.33678696
  H     -4.33934813     11.99352951      4.39944776
          69
 Ord_Energy   -250.281677    
 O   -9.92653370      0.798191965       4.79306746    
 H   -9.46880341      0.892971814       5.64742851    
 H   -10.7576704      0.368173808       4.98074293    
 O   -9.35158920       4.06953382       7.31976557    
 H   -8.43048477       4.26918745       7.06897736    
 H   -9.59453297       4.69081783       8.00029564    
 O   -6.34907007      -1.47842824       2.97221565    
 H   -6.54543877      -2.37430477       2.71248198    
 H   -7.13160610     -0.942431867       2.75051713    
 O   -1.08734608       2.12031126       7.67361879    
 H   -1.18156779       1.16457760       7.57312870    
 H   -1.51505792       2.50754046       6.89733934    
 O   -3.95295048       1.79728004E-03   2.40922379    
 H   -4.18718863      0.772431791       1.87930989    
 H   -4.75549459     -0.529439509       2.48725033    
 O   -2.87077236       2.94947410       5.64944458    
 H   -3.54608798       3.05680418       6.33494234    
 H   -3.20757246       3.37464404       4.85031271    
 O   -5.72053480     -0.231630221       5.41033077    
 H   -4.76504278     -0.107440099       5.31256104    
 H   -6.00742292     -0.769280791       4.66269970    
 O   -6.12527704      0.731730580       7.94600248    
 H   -6.03454208      0.275315642       7.09622526    
 H   -5.41417933      0.401774913       8.51488686    
 O   -7.33479118       2.65350771       1.98131084    
 H   -7.79748058       3.49938464       2.00855470    
 H   -7.07051992       2.47736716       2.90005016    
 O   -8.45515919      0.126941055       2.49009562    
 H   -8.18101788      0.980729163       2.13242745    
 H   -8.97846603      0.323554218       3.27886868    
 O   -9.91461086       3.65743542       4.56060171    
 H   -9.95905781       2.69452167       4.52462101    
 H   -9.84233475       3.87869000       5.49718285    
 O   -4.32133102       3.77085066       3.43665648    
 H   -4.26326466       3.41969562       2.54150677    
 H   -5.01540613       3.24889421       3.87091088    
 O   -2.77715755       2.76559496       9.69862080    
 H   -2.35615373       3.21669221       10.4248180    
 H   -2.08480787       2.58681536       9.03682041    
 O   -4.78080606       2.36764431      0.998921812    
 H   -4.70664501       2.54117417       6.39833882E-02
 H   -5.72014475       2.46586108       1.23004222    
 O   -1.85465980     -0.615786552       7.27713490    
 H   -2.24900460     -0.408836246       6.41276407    
 H   -1.34635699      -1.41461504       7.16139317    
 O   -4.74539423       3.14748406       7.72856426    
 H   -4.13454962       3.15774751       8.47559261    
 H   -5.25227118       2.32435417       7.79571533    
 O   -6.43713331       2.33812499       4.55081558    
 H   -6.73356390       2.91356301       5.26539135    
 H   -6.26285028       1.45799553       4.90473938    
 O   -8.78417778       1.27949786       7.19625902    
 H   -8.99999809       2.19803452       7.39862776    
 H   -7.92253685       1.09556329       7.59087467    
 O   -3.02236438      0.261847973       4.96520948    
 H   -3.21239209      0.156185597       4.02088261    
 H   -2.93492150       1.20853055       5.14670420    
 O   -8.58535671       5.05845356       2.66432214    
 H   -9.17990208       5.68917370       2.26731491    
 H   -9.09457493       4.58683014       3.34917831    
 O   -6.83223867       4.41974878       6.47502136    
 H   -6.04443932       4.14146614       6.96085119    
 H   -6.57436562       5.00560617       5.74783039    
 O   -3.80676556       9.25176516E-02   9.28102684    
 H   -3.15593481     -0.240031362       8.65032768    
 H   -3.46138000      0.939560294       9.58788490    
 O   -6.22288847       5.76877356       4.17202759    
 H   -6.98406506       5.60076809       3.60237741    
 H   -5.48724747       5.26384401       3.80243778    
          69
 Energy    -250.28029487883919     
  O     15.08708710      8.39786351    -14.29077973
  H     15.80939778      8.44419987    -13.64896683
  H     15.66279724      8.45167758    -15.92304985
  O     14.43247145     12.06590322    -14.96221848
  H     14.39325223      8.97750307    -13.95589543
  H     16.91265061     13.53529407    -11.43493268
  O     20.62325174     11.46722742    -10.69848516
  H     13.80596035     11.56036668    -14.43226963
  H     16.06102068     14.19176787    -10.32572771
  O     20.65701700     12.87333480    -13.05330541
  H     15.30298738     11.82234741    -14.61146229
  H     19.73801344     15.02392383    -15.06460171
  O     14.60886390     11.08387050    -11.01802554
  H     20.72320848     12.03687552    -11.47875261
  H     20.95231472     15.96717804    -14.91809085
  O     18.05857836     11.38106556     -9.46125820
  H     21.46747217     11.46495428    -10.25279095
  H     19.75646495     10.49236570    -15.31596673
  O     17.14579967      8.94393773    -12.46624461
  H     20.61276534     12.13039885    -13.67540038
  H     20.98494777     11.39478270    -15.53662495
  O     14.84040296     11.03323354    -17.54284592
  H     20.83035118     13.66571350    -13.57613094
  H     17.04770362      9.98211392     -9.58366337
  O     18.51485831     12.68599547    -17.41699631
  H     15.10668407     10.41172736    -10.53630463
  H     16.39415650      8.70165982     -9.00480849
  O     18.11230901     10.28687273    -16.08392302
  H     15.12447844     11.89484581    -10.94268416
  H     15.58774929     12.38236430    -18.31386135
  O     13.18348760     10.27495220    -13.18495269
  H     17.54370840     12.12909658     -9.78905121
  H     15.69283906     13.37134118    -19.50008409
  O     16.03482328      8.54193907    -16.81947784
  H     18.93819461     11.44802529     -9.85175494
  H     18.27049292     13.89558206    -16.07200752
  O     16.36700633     13.34917841    -10.65289532
  H     18.11372967      8.97423828    -12.50557221
  H     17.07918874     14.73237958    -15.58710234
  O     20.68525164     15.05406975    -14.84876015
  H     16.89344631      8.95221470    -11.53542776
  H     20.37173638     12.80344626    -17.10594431
  O     20.57349973     10.79635153    -14.89568725
  H     14.59300410     11.36075710    -16.66676259
  H     21.23267420     13.64301843    -16.15154910
  O     16.41094786      9.26820095     -9.77075416
  H     15.20845079     10.15358341    -17.40257712
  H     20.15150734      9.94456926    -11.83871432
  O     16.02920419     13.19400302    -18.62616106
  H     18.36251252     11.80781274    -17.03825627
  H     20.22794718      9.70803049    -13.35858716
  O     18.02081921     14.57280081    -15.42645275
  H     17.73884753     12.89523165    -17.95185536
  H     16.89398075     10.54195626    -13.29784981
  O     21.23096773     12.82510869    -16.66028515
  H     17.52508886      9.60787245    -16.43411579
  H     17.27519319     12.05578750    -13.44456905
  O     19.86238896      9.34990059    -12.53962586
  H     17.65389042     10.66911401    -15.31910355
  H     14.93300101     13.76184289    -15.66470660
  O     16.85392871     11.30976258    -13.88466831
  H     13.66821713     10.57734906    -12.39604304
  H     15.51912437     14.18491388    -17.02116928
  O     15.38420382     14.48869279    -16.11463098
  H     12.29505518     10.07794037    -12.90059117
  H     17.89316854     14.03360605    -13.70179734
  O     17.98958767     13.62542426    -12.82970514
  H     15.98167019      7.68149425    -17.22589618
  H     18.91468065     13.35498731    -12.76468239
          69
 Energy    -250.27873690844444     
  O     16.38310934      9.97868833    -10.82666376
  H     16.14847463     10.58501174    -10.11344319
  H     13.08082910      7.16216381     -6.45142406
  O     14.61078648      4.18134392     -7.99357413
  H     17.32872251      9.77664266    -10.77853073
  H     18.26954805      5.53029007    -13.42831671
  O     12.22243474      5.53497352     -8.79114039
  H     15.12106291      4.52208260     -8.74738182
  H     19.68537684      4.90449778    -13.43528310
  O     14.89502126      8.72258909    -12.76123996
  H     14.85634066      3.26598468     -7.88613366
  H     15.43378321      5.44165796    -10.95240661
  O     18.93116089      8.99941477    -10.67044052
  H     12.13302123      6.23726970     -8.13634869
  H     15.71245321      6.29298102     -9.70181253
  O     19.91207117      9.67770112     -8.14290089
  H     12.96476213      4.99079056     -8.50183754
  H     19.10322206      8.76864104    -12.53605225
  O     18.54651793      6.22808413    -10.35113850
  H     15.42355099      8.71253681    -13.56849007
  H     19.23875776      7.46627766    -13.34233581
  O     11.88785600      5.99902911    -11.42748341
  H     15.41208732      9.21831338    -12.10883696
  H     16.79341603     10.75841289     -7.38341082
  O     15.35725630     11.33081371     -8.57490713
  H     19.35932524      9.33438341     -9.87292451
  H     18.27240907     10.30295367     -7.28294736
  O     12.55179430      8.77863086    -11.14320103
  H     18.78121824      8.05243148    -10.53144208
  H     17.58351056      8.53916951    -14.37687573
  O     13.29606076      9.48094227     -8.61087989
  H     19.79003629      8.73257032     -7.93533884
  H     16.88335998      8.92483574    -15.70174863
  O     12.28121178      7.59685981     -6.80150013
  H     20.76325157      9.92789689     -7.79346502
  H     15.93862626      8.53872756     -9.76061635
  O     19.15050514      5.57166991    -13.01386755
  H     18.85500820      5.93025476    -11.21657841
  H     14.68048902      8.30616772     -8.91144357
  O     15.86920895      5.41589674    -10.09024512
  H     17.65534539      5.86970022    -10.24541830
  H     14.60565232      5.50104509     -6.59692968
  O     19.05062724      8.40917279    -13.43069184
  H     11.05178447      5.63394164    -11.70415260
  H     15.34927967      6.75539978     -6.08388775
  O     17.45044026     10.38588447     -6.78371167
  H     11.98137006      5.80088852    -10.47824591
  H     13.58566240      5.86298785    -12.18632637
  O     16.74638301      8.47689818    -14.87146265
  H     15.01277291     12.21547759     -8.47726159
  H     14.66110228      6.92228501    -12.51647352
  O     15.53130558      7.91564153     -9.14643276
  H     14.59411708     10.73025655     -8.52384324
  H     18.49255858      7.13006634     -7.27683855
  O     14.50754960      6.28093751     -6.03761801
  H     13.26638175      8.87436914    -11.78594802
  H     19.15745351      6.62410383     -8.58114365
  O     14.51063946      5.96769615    -12.44068837
  H     12.22108814      7.87978218    -11.25778899
  H     16.38421954      7.72184788     -7.55888484
  O     19.34009589      7.05716656     -7.73787241
  H     12.84359957      8.92549548     -7.96412069
  H     17.02295562      8.62876078     -6.50034813
  O     16.80609270      7.70402279     -6.68714457
  H     12.93355196      9.29091464     -9.49187441
  H     15.90241646      5.61588999    -13.63638951
  O     16.70166601      5.69533274    -14.17357117
  H     11.66711054      7.66774132     -6.07557631
  H     16.66692274      6.57927272    -14.56056201
          69
 Energy    -250.27802803766252     
  O     20.53566831     11.71963508    -18.61809215
  H     19.71954771     12.16266657    -18.91426040
  H     17.55449509     12.55627639    -18.62815096
  O     16.50877932     17.80037470    -14.94130053
  H     20.75643843     11.07655560    -19.28675710
  H     20.80281701     16.94295371    -17.74319504
  O     23.02824626     14.02569205    -15.26665611
  H     16.33151994     17.55372270    -15.85998180
  H     19.88493543     15.80590888    -17.25392028
  O     15.92965839     13.59314243    -13.46314597
  H     17.42545615     18.10267111    -14.91462307
  H     22.74122381     15.82363598    -14.84430446
  O     16.84024143     11.79906046    -17.02407789
  H     23.84815557     13.54751992    -15.18029863
  H     21.93039049     16.77685653    -13.92592989
  O     17.94298889     10.37887217    -13.74649746
  H     22.76547385     13.97455106    -16.20449762
  H     18.31113774     11.92389275    -12.81165038
  O     15.31601103     11.18297867    -14.69801311
  H     15.77032718     14.49680501    -13.16130883
  H     19.21581334     13.09581500    -13.22559811
  O     22.12008638     13.92380030    -17.79975600
  H     16.81482687     13.34606202    -13.15434333
  H     16.75059113     16.55277947    -18.23845618
  O     21.50621972     18.30857215    -16.65770288
  H     16.21295072     11.46950287    -16.36930059
  H     16.08935132     15.87796703    -17.04157270
  O     15.88783389     16.30149432    -12.78997638
  H     17.72365990     11.59748872    -16.67854207
  H     20.90158382     17.60884574    -11.79916717
  O     20.38183539     13.44320584    -14.54383246
  H     18.49371199     10.49333650    -14.53217949
  H     19.90563311     16.55984712    -12.33778037
  O     18.19708173     12.91399364    -19.25414869
  H     17.03209119     10.46221244    -14.05177845
  H     19.73872390     17.92772257    -14.04588052
  O     20.36703448     16.13191220    -18.03152713
  H     14.45391994     10.83872898    -14.47779436
  H     19.96423577     18.35038126    -15.52217547
  O     22.50607265     16.74825967    -14.70038265
  H     15.40775011     12.02614548    -14.22395540
  H     17.64514016     15.88191120    -12.16332510
  O     18.48447219     12.85952454    -12.63546017
  H     21.63208892     13.15091947    -18.10937920
  H     18.54044908     14.63308979    -11.99736006
  O     16.16316924     16.72996378    -17.49677665
  H     21.57301610     14.69269694    -18.00526376
  H     19.87812752     11.30962037    -16.89022145
  O     20.62435528     17.16399806    -12.59615310
  H     21.94616621     17.75889189    -15.98204740
  H     19.76978909     12.03036828    -15.52656905
  O     19.28333302     18.13855908    -14.87223042
  H     22.09571245     19.03146130    -16.85347167
  H     18.97192584     16.35375898    -15.39685646
  O     18.53519417     15.59588550    -11.92595132
  H     16.07381584     16.83967355    -13.58100175
  H     18.09963958     15.15115601    -15.88946630
  O     19.40425630     11.30268492    -16.04985326
  H     15.28059104     16.80616469    -12.25538343
  H     18.91808503     15.96294201    -19.07951085
  O     19.00606745     15.45859619    -15.75485298
  H     19.92779194     14.19185839    -14.96120558
  H     18.12109227     16.14783458    -20.38896045
  O     18.06624647     15.78067422    -19.50929896
  H     21.32741454     13.57942382    -14.66836135
  H     16.22864356     14.17664541    -15.17395530
  O     16.48176819     14.36999400    -16.08462908
  H     18.03516955     13.86120187    -19.33082645
  H     16.59817271     13.51545165    -16.51897727
          69
 Ord_Energy   -250.277863    
 O    2.91209149      0.757122040       6.05935907    
 H    3.28835726       1.64623404       5.99018812    
 H    3.54226851      0.158978522       5.63255453    
 O    4.28226662       3.05048203       9.08780956    
 H    3.74404621       2.24218512       9.07181644    
 H    3.73807788       3.73118114       9.47781754    
 O   0.942625105      -1.26440251       9.20187092    
 H    1.36735058      -2.12676454       9.04271126    
 H   0.209131017      -1.42503190       9.78926849    
 O    4.85120392     -0.900081873       5.03125048    
 H    5.46995926     -0.697566271       5.75287247    
 H    4.64860964      -1.83898151       5.11751890    
 O    7.29348707      -3.53951144       5.47920799    
 H    7.48495531      -3.86038089       6.36790228    
 H    6.33758688      -3.62167192       5.37337208    
 O    4.91680241      -3.57057810       8.45420074    
 H    4.94929981      -2.68635678       8.84968090    
 H    5.81703901      -3.91487432       8.47382832    
 O    1.63117754      -3.64064193       5.71243715    
 H   0.970418096      -4.07235479       5.17776394    
 H    1.33359241      -2.72150421       5.83717060    
 O    6.42853737     -0.324078083       7.17536163    
 H    6.85040760      0.544687510       7.20819092    
 H    5.89299965     -0.445361853       7.97036219    
 O    7.97690010       2.01866841       7.18363190    
 H    8.71704388       1.42860162       6.97471380    
 H    7.68225956       2.43789482       6.36577415    
 O    9.79001236      -1.27600995E-03   6.70217276    
 H    9.61604595     -0.584500432       7.44997215    
 H    9.50633812     -0.491745561       5.91868019    
 O    6.92870235       2.25534964       9.71541023    
 H    6.03947639       2.59464669       9.55920982    
 H    7.38474703       2.28858805       8.86153793    
 O    2.92230535      0.659918606       8.82182121    
 H    2.19190264       7.96274990E-02   9.07184315    
 H    2.93980765      0.675582349       7.85169220    
 O    8.40499878      -1.58606863       8.67573929    
 H    7.78842640      -1.23208261       8.01506710    
 H    8.17866230      -1.14308727       9.50259113    
 O   0.845283687      -1.10764539       6.30437565    
 H   0.718936265      -1.08791089       7.25988817    
 H    1.46198368     -0.389181405       6.10592318    
 O    7.30182981     -0.123178519       10.8785400    
 H    7.56627560      -2.25609299E-02   11.7884474    
 H    7.21546173      0.775623918       10.5082436    
 O    4.44582319      -3.56998849       5.68253803    
 H    3.49525166      -3.68949533       5.56570721    
 H    4.59731245      -3.55811381       6.63911104    
 O    8.79756451      -1.48710334       4.48217773    
 H    8.24224854      -2.20819855       4.82620001    
 H    9.36750126      -1.87870443       3.82438755    
 O    5.02625561      -1.01643109       9.48578262    
 H    5.68133831     -0.683320522       10.1115398    
 H    4.29868269     -0.385949701       9.40204716    
 O    4.29738855       3.11900425       6.16839266    
 H    4.45622921       3.22502327       7.11286306    
 H    5.15883636       3.11689997       5.73369884    
 O    2.09885550      -3.63281584       8.54673481    
 H    3.05565286      -3.74031258       8.62493801    
 H    1.89230323      -3.78393412       7.61594152    
 O    6.82921553       2.95698214       4.81921816    
 H    7.07600021       3.60668254       4.16652489    
 H    6.84409809       2.09086895       4.37273455    
 O    7.68346834      -4.19270515       8.25818253    
 H    8.02899742      -3.30854869       8.46956348    
 H    8.29171944      -4.82529163       8.63151073    
 O    6.87103987      0.487719864       3.72418642    
 H    7.58985186     -0.124993980       3.92066598    
 H    6.06419945       1.70295294E-02   3.97555256    
          69
 Energy    -250.27682338116864     
  O     15.50845224      9.48644876    -10.65211978
  H     15.27114007      9.84305025    -11.51730268
  H     17.55030811      4.92307915    -13.06707504
  O     17.84067217      6.73878275    -15.57130509
  H     14.84253359      8.82437053    -10.42322646
  H     14.10602242      3.98256948    -14.25829772
  O     12.76809595      3.94675493    -11.19403450
  H     17.68653204      7.46306050    -14.93988934
  H     13.80059828      5.31433893    -13.53147708
  O     14.18547281      1.49800351    -11.25916501
  H     18.51979969      7.04079114    -16.16946018
  H     14.23284428      7.00240304    -11.99561203
  O     13.41347466      8.64399426    -14.48040918
  H     12.94124149      4.04695553    -12.14397733
  H     15.52720039      6.56660909    -12.69975294
  O     17.43135384      8.73177848    -13.76379030
  H     12.12878809      4.63024729    -10.96423622
  H     17.09647626      8.81641318    -10.76829358
  O     11.22942630      6.30801201    -10.71351677
  H     14.91430942      1.70924279    -10.66306516
  H     18.59179370      8.75413982    -10.36601505
  O     16.53452833      2.38574963     -9.83785569
  H     13.55863117      2.22860766    -11.18181849
  H     13.93012891      6.63734705    -16.78280068
  O     15.12968499     10.40973210    -13.34744785
  H     13.86903079      7.95802338    -13.96476625
  H     13.01193604      7.35815155    -17.79615296
  O     15.40619993      0.86901058    -13.61047284
  H     13.27425798      8.26990107    -15.35913601
  H     11.96312286      5.07450574    -14.79400114
  O     17.64689891      2.10044692    -12.30508790
  H     16.67644886      9.32961269    -13.70942800
  H     11.81509048      6.12199812    -15.90336044
  O     17.79527021      4.45885862    -13.88372782
  H     17.75004095      8.63392319    -12.85882367
  H     16.34992480      3.65291902    -14.65502415
  O     13.41357183      4.46528036    -13.79063411
  H     11.15056125      6.71628221    -11.59574514
  H     15.48044915      2.37403190    -14.71138866
  O     14.60505364      6.79534896    -12.86344576
  H     10.38566400      6.41908235    -10.28411451
  H     15.36770967      4.79390472    -16.20377638
  O     17.94734036      8.38089854    -10.96026560
  H     17.05357126      1.90735637     -9.19701226
  H     16.19476142      6.09433836    -16.26127761
  O     13.13106016      7.18873732    -16.86558795
  H     17.00457928      2.31503741    -10.68807841
  H     11.02453376      6.77059672    -13.86841094
  O     11.30956097      5.62238270    -15.25115173
  H     14.98547140     11.31496467    -13.61098067
  H     11.78112298      8.04811451    -13.50910950
  O     15.56393032      3.26670108    -15.06917618
  H     14.45675010      9.87472343    -13.80239340
  H     16.38594692      5.51130586    -11.05379232
  O     15.36708855      5.69337725    -16.55308698
  H     15.22275596     -0.03812313    -13.83951094
  H     17.39039790      6.67865943    -11.35379495
  O     11.13600043      7.42427490    -13.16147657
  H     14.89235193      1.06409517    -12.80657343
  H     12.87988659      7.02469360    -10.25449655
  O     16.99189209      5.87591112    -11.71286267
  H     16.99810989      1.58756513    -12.80341631
  H     14.29838391      6.49398670     -9.90575911
  O     13.81248008      7.27388468    -10.20805163
  H     17.87793286      2.85165232    -12.86553865
  H     15.63853767      4.00415878     -9.74720658
  O     15.12011137      4.79504666     -9.94376361
  H     17.96684984      5.15407923    -14.52951602
  H     14.31382846      4.48346521    -10.38229335
          69
 Energy    -250.27493321412862     
  O     15.11626164     10.28721591    -15.77122514
  H     15.80549140     10.39203119    -16.44612019
  H     15.83152090     13.29108031    -15.39827718
  O     19.78526023     14.75869834    -16.33025341
  H     14.43349668      9.74332771    -16.15749991
  H     17.09503360     10.65554003    -18.61321269
  O     20.54383413      8.65959871    -14.81048009
  H     19.94208726     15.09825483    -15.44094515
  H     18.05116406     10.53447066    -17.40421681
  O     19.58727480     13.60656475    -10.29039202
  H     18.91700898     14.33051633    -16.31280149
  H     18.34600933     12.24435254     -9.65294187
  O     15.18932796     14.06394277    -12.43010402
  H     20.81668470      9.43657112    -14.28935169
  H     18.30525567     10.70574016     -9.73372668
  O     19.50424396      9.23913072    -10.11305486
  H     21.30329176      8.08386945    -14.86268043
  H     20.62956591     12.13153735    -10.54721077
  O     15.61205277     11.40702470    -11.38793283
  H     20.24028124     14.31346266    -10.34684900
  H     20.72820275     10.58963903    -10.40310867
  O     19.69638329     10.34546189    -16.95636972
  H     18.96271228     13.77332133    -11.01244086
  H     16.12089148     10.32836392    -12.64394247
  O     22.20407126     13.23482074    -14.32772291
  H     14.47026595     14.65959131    -12.23864679
  H     15.97702011      9.88647181    -14.14245955
  O     21.63051081     15.47996109    -11.01742504
  H     15.04848506     13.73285256    -13.33535911
  H     20.81299620     13.45000622    -16.82428509
  O     21.04586140     10.91940902    -13.42595416
  H     19.22928986      8.89227337    -10.98020526
  H     21.89388539     12.87871217    -17.77242296
  O     15.00490564     13.07170492    -14.94708688
  H     19.49437491      8.50192420     -9.50826197
  H     20.78292187     15.46486719    -12.74434879
  O     17.13260675     10.73436167    -17.66357069
  H     15.40070503     12.31443478    -11.63050671
  H     19.45180574     14.87029835    -13.23520433
  O     17.75050685     11.48689781     -9.62124278
  H     16.30125617     11.45440085    -10.70816028
  H     22.64871595     12.53259967    -11.24915587
  O     21.20097400     11.36904947    -10.72288848
  H     19.97271053      9.72580721    -16.27059312
  H     23.02315644     13.21981948    -12.58249782
  O     16.53647641      9.82074834    -13.36175105
  H     20.30313335     11.09495536    -16.92834463
  H     17.89476200      8.75191547    -12.82827079
  O     21.39627269     12.68464086    -16.98175656
  H     22.09757414     13.06059107    -15.27074261
  H     19.27952510      8.31214985    -13.34866647
  O     20.31877256     15.17619393    -13.53952405
  H     21.54896836     13.90916537    -14.09335374
  H     19.31029185     11.44132664    -13.76016947
  O     23.12240558     13.28692604    -11.62379025
  H     22.25040667     14.74694619    -11.18233481
  H     17.79235355     11.07501600    -13.69785199
  O     18.73158886      8.34591845    -12.55810138
  H     22.12100812     16.15831171    -10.56135670
  H     17.38432471     12.44819703    -16.82464843
  O     18.42025224     11.77749838    -13.91427411
  H     21.49887449     11.69117310    -13.79038044
  H     17.89920122     12.65506717    -15.38671913
  O     17.53992607     13.12517813    -16.15680097
  H     21.09560720     10.99418571    -12.46343108
  H     17.03774311     14.20847975    -12.41342608
  O     17.98847930     14.07361929    -12.49821339
  H     14.85798207     12.14051232    -15.14465497
  H     18.10830432     13.22239382    -12.94688630
          69
 Energy    -250.27479425249223     
  O     12.94356583      6.67692905    -15.79275840
  H     12.76640276      7.60678792    -15.61457558
  H     12.41291539      4.11642886    -11.75258709
  O     10.15882502      8.20902506    -10.20489095
  H     13.89140727      6.55267225    -15.64678034
  H     13.05995285      6.07758581    -12.03731454
  O     16.82443552      5.59477611    -10.81308223
  H     10.28781333      8.48984530    -11.11994368
  H     12.97363143      7.15332978    -10.89581751
  O     11.48829170      4.11308831    -10.26062454
  H      9.72159589      7.34890574    -10.25632027
  H     13.51327090      9.25574043    -14.36145380
  O     15.15779598      8.72365926     -8.90579856
  H     17.74849159      5.34526292    -10.94029222
  H     12.90593801     10.25128371    -15.37510728
  O     18.40945254      6.65364253    -15.27206175
  H     16.76182985      6.54238860    -11.00118228
  H     20.18642466      4.49456690    -11.32345647
  O     15.63518019      4.45654613    -13.05914036
  H     11.93060486      4.40993967     -9.45662025
  H     19.11893313      4.60224093    -12.44108614
  O      9.09232654      5.59705637    -10.64292317
  H     10.65241250      4.59361272    -10.31389404
  H     14.21179869      7.99575495    -12.77340795
  O     18.96764128      7.59903176    -12.78104900
  H     14.22421185      8.46897906     -9.00597998
  H     15.18291374      7.85007414    -13.97095445
  O     12.85113262      5.18096655     -7.98994369
  H     15.17763011      9.44109658     -8.27701265
  H     15.92335166      5.60400581     -9.20675746
  O     12.62318096      7.72521193     -9.15949884
  H     18.62508346      7.06424426    -14.41537634
  H     15.45994160      6.83706722     -8.42338765
  O     12.94201639      4.32143891    -12.53921320
  H     19.03508516      6.99318641    -15.90600177
  H     16.20965398      8.58769239    -10.46345975
  O     13.10239296      7.02249059    -11.84257318
  H     14.70300109      4.26146141    -12.89212815
  H     16.05938413      8.53214511    -12.00824380
  O     12.73037029      9.43875134    -14.90744441
  H     15.99261510      4.82168737    -12.23722080
  H     18.38484201      4.86099006    -14.51780942
  O     19.44888816      5.01788108    -11.62366209
  H      8.20074348      5.30111174    -10.47924146
  H     17.36537041      4.03568252    -13.70688452
  O     14.81553420      8.49490807    -13.34890815
  H      9.17746387      5.70568452    -11.60806291
  H     11.66225079      7.87887111    -12.55184599
  O     15.43092886      5.87344109     -8.41946322
  H     19.26513299      6.81170251    -12.30762219
  H     11.36393744      8.90975121    -13.65040625
  O     16.67095041      8.35612086    -11.27920920
  H     18.27589754      7.99485900    -12.23585397
  H     15.60247007      5.71920266    -14.34501611
  O     18.30693180      4.11052392    -13.91584927
  H     12.74556878      4.84568367     -7.10351689
  H     16.56232200      6.54237027    -15.24423542
  O     10.95052920      8.41526071    -12.93523834
  H     13.80597295      5.32151621     -8.12429907
  H     11.91948271      5.39248650    -15.23214000
  O     15.63564466      6.43423177    -14.99868807
  H     12.57224439      6.88606222     -8.68435819
  H     11.21960657      4.05443777    -15.56798640
  O     11.38557763      4.66868646    -14.85777874
  H     11.72625809      7.97788407     -9.42663105
  H      9.87534204      6.94046108    -13.26948806
  O      9.47848132      6.05828852    -13.27615531
  H     12.35923372      4.33689659    -13.30821533
  H     10.03852244      5.52393436    -13.85125706
          69
 Energy    -250.27462776841287     
  O     12.55326586      9.11054429    -17.34210254
  H     11.71973848      8.75609203    -17.00576111
  H     17.48895169      9.64830232    -12.57635781
  O     11.66355548      8.76290861    -13.54713997
  H     12.42941419     10.06632647    -17.39365810
  H     15.68329777      6.21290281    -13.46946260
  O     13.95201635      8.39994506    -15.11455499
  H     12.11666163      8.52119191    -12.72917881
  H     15.01969756      7.50202162    -14.00289048
  O     14.34889987     13.42274715     -8.32155618
  H     11.44609893      9.70567526    -13.50085591
  H     13.57312516     14.16580978     -9.92308663
  O     12.03010686     11.94578803    -17.24405248
  H     13.18140728      8.50687246    -14.53764918
  H     12.51539751     13.55846771    -10.85782583
  O     14.05171245      8.97789433     -8.80908048
  H     13.62691124      8.56729296    -16.01087492
  H     13.79592864      9.17811712    -11.55070572
  O     14.21768960     10.90298161    -11.79092963
  H     13.71639141     12.68109169     -8.26751671
  H     14.18897679      7.73980379    -11.96630099
  O     12.64926427     11.35296526     -8.40243913
  H     14.36482625     13.83575169     -7.46333588
  H     18.54274084     11.27251571    -14.25950347
  O     16.77311549     13.25061653    -12.53339632
  H     12.13534662     12.58826560    -17.94188599
  H     17.45601643     11.90549925    -13.35366088
  O     11.74316094     11.87987520    -11.03164364
  H     12.43956941     12.32880816    -16.45133772
  H     11.73224143     11.97405739    -14.01103258
  O     13.18129048     12.79884220    -14.87111944
  H     14.99720760      9.13232713     -8.92197872
  H     10.34835871     11.38946708    -14.39058601
  O     17.27453696      8.94749775    -11.94905085
  H     13.76263920      8.54622003     -9.62221018
  H     16.40484667     11.31813725     -9.71014831
  O     15.50625922      7.12479602    -13.25101752
  H     14.54144496     10.96265309    -12.69749584
  H     15.56188061     12.60427849     -9.41668503
  O     13.14220610     14.29068312    -10.77592493
  H     14.85845410     11.34065233    -11.21662286
  H     16.00467201     10.87200036    -14.39259860
  O     13.50785399      8.25081119    -11.51472161
  H     13.08664028     10.49160167     -8.46978051
  H     14.76596844      9.97987681    -14.76769056
  O     17.72930254     11.08227326    -13.80073221
  H     12.12985918     11.46509585     -9.20854245
  H     10.31499038     11.37633185    -16.54876176
  O     10.98728097     11.46327151    -13.66797707
  H     15.99682458     13.75777788    -12.79549465
  H      9.65704588     10.07531477    -16.05431889
  O     16.08308980     12.14630558    -10.08929481
  H     16.61649437     12.96462561    -11.62141369
  H     17.54066983      9.19885334     -8.81927668
  O     15.04404216     10.85981708    -14.48222708
  H     12.61909956     11.53094623    -11.26249974
  H     17.01016015      9.30049256    -10.26907007
  O      9.59092346     11.03733703    -16.00677512
  H     11.22107229     11.78822601    -11.83731274
  H     13.91330342     14.57835401    -12.28908785
  O     16.83344253      9.56042582     -9.34693771
  H     13.49913306     13.54049346    -14.34244885
  H     14.41284245     15.64273684    -13.29062954
  O     14.34731672     14.70097203    -13.15307057
  H     13.86927266     12.11747449    -14.81061453
  H     10.67900506      8.31944981    -15.00459625
  O     10.24171000      8.24170984    -15.86875610
  H     16.72839297      8.30869544    -12.42247792
  H      9.68622500      7.46738988    -15.82512952
          69
 Energy    -250.27409522877329     
  O     14.10316216      9.92457742    -15.41258219
  H     14.67836207      9.99907766    -16.18846277
  H     17.60956159      2.81447128    -17.99793814
  O     14.65988561      3.96690847    -16.44972770
  H     13.40167009      9.30565017    -15.64148044
  H     20.24371922      7.16196106    -14.55179070
  O     17.34647730      7.59804919    -12.02664632
  H     15.53839352      3.70715109    -16.75202735
  H     19.74774770      5.82483916    -15.13809689
  O     20.05802235      7.41850490    -17.70275666
  H     14.67199986      3.94729362    -15.48315982
  H     18.87793367      8.56535595    -16.79750103
  O     17.85777536      5.88641586    -18.69175609
  H     18.11545825      7.97558994    -12.46840460
  H     17.57195165      8.27282785    -16.01859976
  O     13.02830814      6.28134618    -10.54950486
  H     16.56933928      7.98134260    -12.46444568
  H     15.69178785      6.83379306    -16.15833572
  O     14.69504941      4.24805744    -13.63551226
  H     20.87263656      7.59960340    -18.16385507
  H     15.99374515      7.47021742    -14.77704735
  O     15.17124276      8.40255445    -13.44622261
  H     20.29991115      7.04012478    -16.83829843
  H     12.46647767      7.25941029    -14.82062407
  O     18.15866597      4.91060684    -15.17412002
  H     17.17507745      6.51953508    -18.94487412
  H     11.30109349      7.68830825    -15.73879532
  O     13.79136727      3.53435604    -11.12755823
  H     18.62289137      6.40138403    -18.40893368
  H     17.14374416      3.28639769     -9.78817537
  O     19.39713675      8.70912588    -13.67086272
  H     12.49283299      6.62083398     -9.83747562
  H     16.84247638      4.10870931    -11.06305703
  O     17.32213860      3.54007212    -17.45070038
  H     13.95595478      6.45864483    -10.31092722
  H     14.28933846      5.55764786    -17.04844198
  O     20.46575007      6.47283370    -15.18830673
  H     15.58723993      4.49338846    -13.36041207
  H     13.49477202      6.88907687    -16.80194047
  O     18.24380512      8.95413780    -16.18172737
  H     14.28584331      3.83716496    -12.85949929
  H     17.31812102      5.81562871    -12.39457470
  O     16.39697498      7.00693152    -15.52288877
  H     14.85102744      9.08388183    -14.05775983
  H     17.70628296      4.74409805    -13.45303023
  O     12.25287578      7.66755506    -15.67646886
  H     14.43802590      7.79199205    -13.29708453
  H     15.98871288      5.66767335     -9.86777985
  O     16.48872393      3.84758369    -10.19462623
  H     17.97468773      4.29067033    -15.88928828
  H     16.29800169      7.03351785    -10.51519004
  O     14.23946089      6.50033631    -17.27547332
  H     17.54795870      5.65471035    -15.30117960
  H     15.22287564      7.67783239    -20.07910514
  O     17.26911077      4.87097169    -12.60034155
  H     14.65864467      3.50747309    -10.70251092
  H     15.10160227      7.22418476    -18.60477307
  O     15.66517600      6.57403882     -9.94974575
  H     13.39630278      4.37049564    -10.85246701
  H     13.63711458      5.72362932    -13.53328353
  O     15.69446885      7.64931589    -19.25011227
  H     18.97784258      8.90702156    -14.52497161
  H     12.93823783      6.48244533    -12.37632324
  O     13.11615700      6.51315017    -13.32537205
  H     19.89316417      9.48745280    -13.42651736
  H     15.87054143      9.25800358    -18.19036796
  O     15.92980526      9.95398626    -17.52555216
  H     17.50106691      4.35811855    -17.95021985
  H     16.78892241      9.83148351    -17.10326346
          69
 Energy    -250.27360376727648     
  O     15.35480783     11.95728888    -13.66357640
  H     16.21068265     11.76844422    -13.26496150
  H     18.23133902      5.47260541    -14.01089008
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  H     15.35478776     11.51174970    -14.52410905
  H     18.12548028     10.30867234    -13.02288679
  O     17.06112759      6.59058966    -10.82695916
  H     14.64267691      6.96960978    -13.97472336
  H     18.56077789     11.56871991    -12.24043988
  O     18.43672917      8.79652507    -13.96202817
  H     14.53610704      5.53133842    -13.42961277
  H     15.70488160      8.71472651    -13.01179035
  O     12.92748328      9.18390485    -16.73294375
  H     16.74236383      7.49424857    -10.97196656
  H     15.46659112      9.08978482    -14.52152063
  O     13.43654172      7.54928249     -8.83939447
  H     16.68387604      6.30604436     -9.98514681
  H     13.79481008     11.84780546    -12.94392685
  O     12.19042260      7.51212165    -12.36252935
  H     18.86819594      8.05302823    -13.52391660
  H     12.51242440     12.56892453    -12.46243758
  O     16.10620665      9.13052375    -11.25388818
  H     17.50451722      8.54144493    -14.05123460
  H     14.58328839      4.65742293     -9.64767783
  O     16.84298896      6.29540177    -16.92528522
  H     12.27332844      9.44527863    -17.37555448
  H     14.57423942      4.18955714    -11.11324582
  O     11.74421000      5.71664363    -10.24517461
  H     12.52676319      9.31812072    -15.85474938
  H     11.87343053      8.85333780    -13.62925207
  O     14.15864358      6.60157463    -16.66132598
  H     13.43314183      8.34690198     -9.38254048
  H     12.20484109     10.35666413    -13.72478318
  O     17.60121787      4.93445195    -14.50277521
  H     12.75558966      6.97475482     -9.21280018
  H     19.94177128      6.03283912    -12.20876636
  O     17.80112636     11.03959811    -12.46998654
  H     12.79855522      7.01050108    -12.92692998
  H     18.49302687      6.47700106    -11.90782036
  O     15.69038393      8.37175145    -13.91465269
  H     11.88832803      6.90293073    -11.67868473
  H     16.18924976      5.30740621    -11.89196894
  O     12.91143495     11.70835975    -12.55680427
  H     15.19669400      9.38256785    -11.03917170
  H     16.39025527      4.55001014    -13.21765913
  O     14.02492466      4.24839272    -10.32000367
  H     16.62077693      9.91602688    -11.47244491
  H     14.85236795      6.55052254     -8.60482976
  O     11.93847140      9.59212909    -14.24832418
  H     17.00895083      5.77129158    -17.70552434
  H     15.76017357      5.77282209     -7.62303352
  O     19.18628899      6.47405553    -12.58923977
  H     15.87663590      6.39710539    -16.86276596
  H     18.15873967      9.02875295    -15.89645770
  O     15.79984438      4.62281677    -12.45301812
  H     11.00754094      5.17460624     -9.97652112
  H     17.39566527      8.08566727    -16.83849662
  O     15.58259687      5.90754510     -8.54998341
  H     12.51562619      5.12596561    -10.31984471
  H     13.00880365      8.81629472    -11.40078665
  O     17.62182815      9.01525399    -16.69756277
  H     13.97768972      6.31541202    -15.75508370
  H     13.19239381     10.35126777    -11.32666892
  O     13.42058815      9.52514274    -10.88292031
  H     13.71104408      7.44936004    -16.76516557
  H     16.12289270      9.94481798    -16.31326851
  O     15.34362989     10.33260757    -15.88677416
  H     17.37736648      5.42640172    -15.30216337
  H     14.55164522      9.99276346    -16.32096243
          69
 Energy    -250.27313090097027     
  O     13.81677195     11.72583738    -14.32748541
  H     14.61677794     11.38262500    -14.75122923
  H     14.36791708      6.10254927    -10.78071037
  O     15.44876506      8.19774374    -17.11052587
  H     13.95581301     11.64093497    -13.37576778
  H     14.13311445      9.37715629    -12.68049921
  O     13.26664992      6.23896216    -12.16631452
  H     14.57711039      8.27446751    -16.68586022
  H     15.25658491      8.54725135    -13.33823347
  O     16.71618176      4.05858816    -10.27439252
  H     15.29410098      8.17365761    -18.05163282
  H     15.95909355      9.87938317    -16.13818273
  O     11.49752420     10.56984919    -15.04048590
  H     12.33202251      6.19328733    -12.39518480
  H     16.56958228     10.02050543    -14.74700830
  O     14.10932760      8.52589212     -8.91799504
  H     13.59059189      7.10171364    -12.47312575
  H     11.14446648      6.06334406    -14.12914838
  O     18.82750295      5.64997740    -11.38764079
  H     16.69243102      3.51365039     -9.49171293
  H      9.92652973      5.72150715    -13.23814445
  O     13.13167566      8.40281775    -15.66189068
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  H     10.74895035      8.15164632    -12.92640091
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  H     11.03543892      9.57461862    -13.47339596
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  H     12.31476319     11.04633277    -14.79969026
  H     15.16223934      4.20100335    -13.84804375
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  O     15.01679210      6.20804037    -10.06978859
  H     14.81092613      9.16011740     -9.10805520
  H     13.01163655      5.29330366    -15.21014953
  O     14.30847231      8.55450747    -13.15305661
  H     18.23227800      5.01756247    -10.96398774
  H     12.48987284      6.66529587    -15.67820240
  O     16.09848824     10.51657192    -15.42986088
  H     18.86024436      5.39921994    -12.31901008
  H     11.52282003      9.51500667    -11.11552560
  O     10.68272566      6.29826503    -13.30443474
  H     13.55569750      8.44116255    -14.79069321
  H     11.22383432     10.22609574     -9.77750347
  O     10.88522320      9.07028896    -12.66503458
  H     12.48153422      9.11534233    -15.65702509
  H     17.20494341      8.31721466    -12.67923000
  O     14.59191598      4.88779380    -14.22346970
  H     16.51513335      3.44945728    -12.07341318
  H     17.04061835      7.79043691    -14.13985848
  O     12.21065909      5.75962981    -15.48375490
  H     17.27576962      3.65870227    -13.39513533
  H     13.34153942     10.67934251    -11.11649912
  O     11.92467155      9.82236065    -10.28326787
  H     19.30962639      4.60317000    -14.75416791
  H     14.89224605     10.76902275    -11.08936616
  O     17.04279433      8.58782381    -13.59243499
  H     17.99541264      5.40250983    -14.62651214
  H     16.68999750      9.37092123    -10.29254412
  O     14.11558777     10.91942952    -11.64323599
  H     16.32637198      6.95444467    -16.00852257
  H     16.93218468     10.68172125     -9.51307458
  O     16.25561183     10.16964811     -9.94919542
  H     15.89030904      5.89132304    -14.95540747
  H     16.41336249      7.27067594    -10.68531833
  O     17.19577227      7.78183400    -10.93314293
  H     14.68775029      6.93010267     -9.51497276
  H     17.91148278      7.13800624    -11.04040554
          69
 Energy    -250.27284345060428     
  O     -1.81609524     -0.71790853      1.69032382
  H     -2.35264366     -0.67419752      2.49885431
  H     -4.18309927      2.57594185      3.17668681
  O      1.51450955     -0.35289331      4.69336682
  H     -2.19699687     -0.07844461      1.07578561
  H     -1.04862191      3.54720133      1.11913984
  O     -5.90202297     -1.37805525      6.11081020
  H      1.03239276     -1.19424629      4.59322694
  H     -0.18298191      2.28280144      1.24669966
  O     -5.94357331     -0.85179936      3.30449751
  H      2.43051579     -0.57340086      4.83757034
  H     -2.44551390      5.48241597      2.24618248
  O     -5.57722357     -2.63726164      1.14825884
  H     -6.13903613     -1.17194971      5.19814394
  H     -3.01775943      4.04898298      2.24740377
  O     -2.95284344      1.36686742      0.26257322
  H     -5.46709533     -2.23756945      6.06253859
  H     -1.33748137      3.63725364      3.80117485
  O     -5.23789116     -0.23640521     -0.09355618
  H     -5.00846528     -0.75178309      3.54266837
  H     -0.64406803      2.26192743      3.78854226
  O     -1.23185662     -3.35194970      1.97346664
  H     -5.97093687     -1.55342503      2.64264501
  H      0.43181226      0.62797769      5.91030675
  O      0.04910094     -2.58961796      4.41530570
  H     -6.16694307     -3.15484491      0.60565690
  H     -0.45135298      1.88866970      5.86451410
  O     -2.20174228     -2.12900701      5.96061038
  H     -5.37827859     -1.82863568      0.64399809
  H     -2.91684299     -1.04351580      4.66477208
  O     -4.40515799     -3.80604643      5.68210424
  H     -2.12697203      1.86158572      0.16293154
  H     -3.36762592      0.40389152      4.28280563
  O     -4.36214181      2.81790299      2.25336027
  H     -3.45113180      1.83468200      0.94696961
  H     -7.63781568      1.53388875      1.95712239
  O     -0.64014429      2.84103366      0.60371906
  H     -5.83785211      0.34190559      0.39305500
  H     -6.49926413      0.60191045      2.43302798
  O     -2.20002500      4.56511148      2.33964089
  H     -4.41144408      0.25823135     -0.16839628
  H     -1.30336816      0.29738063      7.46402879
  O     -1.04948410      2.91840474      4.37577256
  H     -1.40537016     -2.41695906      1.76424978
  H     -1.63394773     -0.20854641      8.88882239
  O     -0.20150794      1.14395589      6.42472703
  H     -0.84096234     -3.74031550      1.19492682
  H     -4.97859235      0.06598588      6.80139822
  O     -3.27493648     -0.49961222      3.95225427
  H     -0.71050895     -2.49677719      5.00862538
  H     -3.64133332      0.47117959      7.47399002
  O     -6.71418645      1.33366679      1.82877201
  H     -0.29810357     -2.94776441      3.59112789
  H     -2.93154932     -3.80119629      2.69844152
  O     -1.93606351     -0.23030129      7.98496602
  H     -2.16391795     -1.57625182      6.75167350
  H     -4.40302687     -3.50251274      2.35209153
  O     -4.42517740      0.82456678      7.03838266
  H     -2.93897527     -2.74781607      6.03976156
  H     -0.47500619      0.37950854      2.34802552
  O     -3.83424214     -3.89459487      3.02565481
  H     -4.62476759     -4.68585431      5.97639294
  H      0.73027499      0.59161026      3.29897037
  O      0.14026287      1.04524242      2.68440788
  H     -4.23210448     -3.86595880      4.72494495
  H     -3.96925347      1.77896029      5.65012266
  O     -3.67470303      2.10208736      4.78439923
  H     -5.23818155      2.46968771      2.05117777
  H     -2.75788037      2.40225306      4.83961377
          69
 Energy    -250.27244098489399     
  O     12.86142322     13.14379462     -9.28530397
  H     12.76006242     12.18875991     -9.44640107
  H     15.08569263     14.34444156    -15.06731125
  O     16.10268296      8.80914775    -11.18234638
  H     12.22044817     13.37625932     -8.61781851
  H     12.52246310     14.42649906    -13.02390446
  O     15.75334589     16.21025288    -11.31840165
  H     16.18980375      8.06472186    -11.79569237
  H     11.29998893     14.40891958    -13.97155073
  O     14.89186489     11.34033497    -15.50560802
  H     16.75971481      9.46383218    -11.46073677
  H     20.31304373     13.12214855    -11.47462162
  O     16.22465517      6.99773583    -13.22765460
  H     15.93724342     17.11602761    -11.08458807
  H     19.18946969     13.20708673    -12.53604011
  O     17.46857359      8.09030700    -15.59565466
  H     16.39888328     15.66065463    -10.83893574
  H     12.82790062      9.94583453    -10.40312151
  O     15.58403116     12.37014945    -11.94844868
  H     14.78660033     12.25719621    -15.79648823
  H     13.67813545     10.17311367     -9.14916079
  O     13.40876485      9.11486718    -12.04949051
  H     14.32621246     11.26908246    -14.72587537
  H     14.80418310      9.58072125    -16.12580217
  O     17.55497724     10.80888650    -14.85686880
  H     16.76084582      7.31064988    -13.96643222
  H     14.32276643      8.20137958    -15.60393839
  O     18.64897543     13.36853202    -14.17853575
  H     15.32337234      6.93922870    -13.56788646
  H     15.84941423      9.28417117     -8.02216845
  O     13.30590100     11.56186358    -13.20626931
  H     16.55966665      8.23739203    -15.91794291
  H     15.75286836      9.40083239     -9.55998321
  O     14.40906900     14.04376586    -15.68971020
  H     17.92313139      7.59350025    -16.27070661
  H     16.93519831     13.88965660     -9.58751344
  O     12.16976252     14.03964679    -13.84572308
  H     16.34100024     11.78302189    -12.07100054
  H     18.13969030     14.04421385    -10.54704833
  O     19.37351601     13.01448214    -11.59809166
  H     15.54658903     12.55965728    -11.00368695
  H     18.43738208     11.41370065    -11.84202068
  O     12.85435431     10.44086277     -9.57578886
  H     14.33051056      9.06096264    -11.76031085
  H     17.80683580     10.71177779    -13.08807524
  O     14.90079611      8.62622939    -16.24961543
  H     13.29349059      9.96827001    -12.49807654
  H     13.07876367     14.35219593    -10.74207399
  O     15.51637631      9.83802410     -8.72368783
  H     16.64643749     11.04275959    -15.09723213
  H     14.03207319     15.39177940    -11.39275909
  O     17.48015770     14.54158536    -10.04894376
  H     17.68538213      9.89772775    -15.14749917
  H     12.76244920      6.70797497    -14.12427167
  O     17.81413896     10.73083423    -12.11860214
  H     17.84239534     13.89723102    -14.09683783
  H     13.36201520      7.92101430    -13.37941292
  O     13.18714154     14.93869123    -11.50015987
  H     18.38403053     12.53331986    -14.58350007
  H     14.69421739     12.90901253     -9.04789636
  O     13.50227257      7.31007802    -14.12184904
  H     14.07731319     11.88994058    -12.71621737
  H     15.67167008     11.70843539     -8.92430879
  O     15.62006041     12.64777475     -9.14243669
  H     12.78508899     12.33463849    -13.45480110
  H     15.95514095     13.79376241    -13.05413902
  O     16.19809285     14.57275295    -13.57620447
  H     13.57975904     14.11458966    -15.20184543
  H     16.09459291     15.31590953    -12.97161147
          69
 Energy    -250.27193231570419     
  O     15.75395665     10.79441925    -15.37150882
  H     16.55701677     10.92963580    -15.89188413
  H     14.17830157     13.76754662    -14.78955494
  O     16.84712128     15.39348793    -15.48121215
  H     15.46398104     11.67772352    -15.11214350
  H     18.98953055     11.38959135     -9.70214931
  O     20.63741810      9.78713264    -15.70123775
  H     16.59345683     16.15692705    -15.99425204
  H     19.19197783      9.95681680    -10.22588557
  O     19.97994949     12.98079125     -9.85117168
  H     17.56128523     14.95067889    -15.97652748
  H     20.13354256     16.49726067    -12.27227990
  O     15.47775167     13.16432735    -11.70847729
  H     21.38925415      9.49806046    -16.21219028
  H     21.67103160     16.45428083    -12.32351552
  O     20.63049606      8.96509974    -11.01677663
  H     20.95888490     10.47528540    -15.09326904
  H     21.60444070     10.56087184    -11.11769352
  O     15.96003832     10.50960537    -10.74776731
  H     19.28809921     13.32996998    -10.43614912
  H     21.22447758     12.00944332    -10.74507147
  O     18.38044681     11.45699822    -16.21201603
  H     20.49009169     13.74350757     -9.55565983
  H     16.39424487      9.89065198    -13.94886956
  O     20.98884169     14.39067903    -14.77579864
  H     15.53246916     12.24391050    -11.42063222
  H     16.46205164      9.78635986    -12.38361378
  O     21.55184231     15.28942459     -9.47357594
  H     15.27590458     13.16096861    -12.65184952
  H     19.72052394     14.28016645    -16.17841132
  O     21.13348782     11.76462122    -13.86078749
  H     20.24161327      8.76152751    -11.88621624
  H     18.74179754     13.20372023    -16.70219645
  O     15.04463199     13.45096721    -14.53954794
  H     20.90758723      8.13392157    -10.64034371
  H     23.22550524     14.96307207    -12.63483712
  O     18.52550652     10.56120925     -9.87879075
  H     15.41793864     10.10555548    -10.07520365
  H     23.91248176     15.99352820    -13.56293946
  O     20.92531997     16.65686892    -11.74425694
  H     16.86760177     10.54045313    -10.39294143
  H     18.13719211     15.73803926    -14.09510529
  O     21.88710421     11.47883918    -11.21395242
  H     19.08917947     10.80436138    -16.25048119
  H     19.59099931     15.23477669    -13.92832041
  O     16.92702661      9.57606768    -13.20264891
  H     18.32553003     11.72105328    -15.27911220
  H     22.84632007     14.35498246    -10.54094425
  O     18.90838777     14.15635142    -16.68675326
  H     21.74877465     14.86471783    -14.41569433
  H     23.01301502     12.99706166    -11.24806270
  O     23.06663229     15.61223672    -13.34407698
  H     21.09321736     13.46883515    -14.50130911
  H     19.82326819      8.79115750    -14.23991838
  O     18.87755633     15.71340245    -13.47934931
  H     21.26353943     15.82458119    -10.23469305
  H     18.53895724      8.72996382    -13.37440772
  O     23.33027985     13.90903909    -11.24794811
  H     21.69595870     15.89449331     -8.75113106
  H     18.27447817     12.56693807    -12.79275244
  O     19.46997988      8.46607509    -13.40509107
  H     21.54457777     11.66666796    -12.99300685
  H     17.95258463     11.10960284    -13.26422624
  O     18.45075188     11.90965070    -13.47568640
  H     20.17616660     11.78330060    -13.69543128
  H     17.12142593     13.77704750    -11.52311097
  O     18.08200287     13.89892308    -11.55468579
  H     15.67809506     14.11687699    -14.84759950
  H     18.29305413     14.61817019    -12.16370274
          69
 Energy    -250.27077888534353     
  O     12.92893965      9.52595190    -10.63472589
  H     13.57951260      9.87675093    -10.01721923
  H     16.14729393      9.51736860    -13.08052320
  O     11.08683744      7.29657247    -12.89955790
  H     13.36833957      8.87285708    -11.19923874
  H     14.51180933     14.45183866     -8.71409600
  O     12.25633811     11.43054311    -12.46822348
  H     10.64818872      6.74645387    -13.54304751
  H     14.00253342     15.18196934     -7.44998249
  O     14.62440301     10.64903985     -8.72448326
  H     10.69021578      8.18320191    -12.97665411
  H     11.35692994     12.30884471    -11.22097985
  O     15.88961301      7.52580979    -10.41084838
  H     13.10173490     11.80302777    -12.74472786
  H      9.95562303     12.26765595    -10.58171740
  O     14.31409802     15.07204806    -12.32612335
  H     12.46796755     10.73330278    -11.82665764
  H     11.67785218      7.53806050     -8.35971923
  O      9.07688170      9.46920304     -8.92209316
  H     13.84311251     11.12146613     -8.40769359
  H     11.69295276      8.55270909     -7.19896870
  O     14.81863962     12.35905341    -12.93649485
  H     14.71549129      9.81442056     -8.24572412
  H     10.62724557     10.55236891     -5.95127794
  O     15.73718861     14.33419698     -9.94177833
  H     15.48344527      7.62152476     -9.54257756
  H     11.38748790     10.94506406     -7.23740132
  O     10.92893053      7.73104879    -10.07163114
  H     15.17941064      7.35662909    -11.04554118
  H     13.84359708      7.86588653     -7.67315883
  O     12.25803108     15.07147292    -10.53495810
  H     13.52536972     15.09533214    -11.75564241
  H     15.23066664      7.59057598     -7.04599761
  O     15.34630454      9.60234113    -13.61335325
  H     14.30731819     15.87795305    -12.83561447
  H     15.74210139     11.32560140     -9.93284764
  O     13.74921917     14.54726985     -8.11472862
  H      9.60638864      8.77212694     -9.33524260
  H     16.82624457     10.94646957    -10.97367457
  O     10.83323918     12.65349188    -10.48105689
  H      9.57706862      9.75349097     -8.14922401
  H      9.43302825     10.20308955    -12.36771542
  O     12.12845844      7.75918687     -7.53381310
  H     15.32189374     12.12043469    -12.14400859
  H     10.80228550     10.42602909    -13.02176760
  O     10.87911106     10.23357546     -6.81474517
  H     14.67909142     13.31266984    -12.88338815
  H      8.63389633     10.54237457    -10.19436761
  O     14.79819640      8.03123523     -7.77269300
  H     16.08650779     13.45556044    -10.14302947
  H      7.55836233     11.33788660    -10.97327627
  O     16.29517307     11.68172614    -10.64442426
  H     15.38944304     14.67575307    -10.77466356
  H     18.33445688      8.98883717    -11.80548688
  O     10.05268355      9.81478802    -12.99547930
  H     11.57840926      8.44508955    -10.18143157
  H     16.95785701      8.66857223    -11.17513314
  O      8.49242578     11.14988130    -10.94305135
  H     10.85020088      7.33957604    -10.94712173
  H     12.99306706      7.44779012    -12.69516904
  O     17.46085658      9.34370062    -11.66549226
  H     11.63323120     14.33424785    -10.55394287
  H     14.31167805      8.26827754    -12.97178731
  O     13.88510115      7.62957589    -12.37723371
  H     12.67793647     15.03164008     -9.66761487
  H     12.78659693     12.98552852     -8.03092522
  O     12.31478261     12.15344622     -8.16910193
  H     15.12842822     10.54157906    -13.60002860
  H     11.78010149     12.26828891     -8.96891824
          69
 Energy    -250.27077236867871     
  O     10.60756999      7.98265355    -10.30731786
  H     10.10721987      8.35410822     -9.57071721
  H      9.44784792      7.77192276    -11.67356137
  O      9.55096352     11.17702037     -9.78717707
  H     11.26249457      8.63044788    -10.59428436
  H     15.15227539      7.20875707    -11.13588376
  O     11.20994546      9.93365175    -13.63381925
  H      9.24856081     11.00056885    -10.68556228
  H     13.69988870      6.97276672    -11.63256114
  O     12.16226017     11.46791078     -9.11014908
  H      9.16716628     10.48351481     -9.23265363
  H     15.30118147      6.18489424     -8.19425726
  O     10.78127539      5.27668164    -10.57500876
  H     10.35909717     10.27554063    -13.33689543
  H     15.53319917      4.68756409     -8.45294122
  O      7.63295107      6.35810297     -8.37342347
  H     11.78092383      9.95071655    -12.85113590
  H     10.99142889      7.21194754    -15.26769791
  O     14.36598186      3.25138839     -8.99890549
  H     11.21537155     11.43308354     -9.33921304
  H     11.14557925      8.26482650    -14.14417557
  O     16.66174695      6.13146404    -10.95542481
  H     12.37561642     12.38415030     -8.95513285
  H     10.27300993      8.75304289     -5.05537826
  O     12.63600348      5.79752130    -12.53237008
  H     10.79369854      6.23198701    -10.39940440
  H     11.13775733      8.80858572     -6.33865288
  O      9.86018972      5.81049063     -6.93470110
  H      9.85743450      5.05937893    -10.75697415
  H     13.11195047      6.43064340     -8.29236118
  O     12.59281192      9.74059242    -11.25287171
  H      8.41844835      6.07338787     -7.87052091
  H     13.83960728      7.33831169     -9.32470272
  O      8.87732459      7.67958822    -12.45336542
  H      6.87230132      6.05457872     -7.88405794
  H      7.82949664      5.67264577    -10.13671059
  O     14.25852949      7.57121438    -11.11508605
  H     14.52716204      2.31362330     -8.93785006
  H      8.12195964      6.09022104    -11.59338719
  O     15.99000704      5.53614433     -8.39194612
  H     14.44672078      3.48896094     -9.93998062
  H     12.98896148      8.67290312     -7.57816736
  O     11.01656119      7.31505086    -14.31976953
  H     17.59757750      6.24620319    -11.09328279
  H     12.45209208     10.11802440     -7.80213289
  O     10.31110596      8.45602941     -5.95997917
  H     16.53652052      5.92806500    -10.01064993
  H     12.87504524      4.21585363     -8.39802144
  O     13.68982561      7.20175863     -8.37968265
  H     12.14840075      6.26703263    -13.21901557
  H     11.65835453      4.88467856     -9.08626534
  O      8.06261335      5.32497500    -11.00785922
  H     11.97735608      5.49566917    -11.88828650
  H     14.00558087      4.57454932    -12.03313690
  O     12.49981588      9.39815340     -7.16363088
  H     10.10370651      6.64415544     -6.51323501
  H     15.44669920      4.72751275    -11.50640734
  O     12.16450802      4.85324433     -8.25917379
  H     10.67564287      5.41720283     -7.26999541
  H      8.29151837      8.11987072     -8.39063426
  O     14.71007458      4.10656614    -11.56724422
  H     13.32015128      9.10665645    -11.17976655
  H      9.29785282      8.83353796     -7.45689874
  O      8.85163248      8.90282637     -8.31201554
  H     12.63936694     10.37223939    -10.52499050
  H      7.82225389     10.76900775    -12.80859418
  O      8.63334967     10.44154326    -12.42671183
  H      9.46950941      7.43464106    -13.17527846
  H      8.58281539      9.47197878    -12.45846162
          69
 Energy    -250.27000114881733     
  O     -6.09938657      1.28884384      0.57010179
  H     -5.52268158      1.90681065      0.09593091
  H     -0.62772702      5.95571319     -0.93809155
  O     -6.07747288      0.68307530     -3.67263718
  H     -6.78196259      1.00760571     -0.05031057
  H     -3.49993728      2.47524730     -0.26173790
  O     -5.09129599      1.97891761      3.10557307
  H     -6.72002554      0.63569208     -2.95505367
  H     -4.18750515      2.68098242     -1.62182179
  O      0.01000488     -1.38657475      1.41156013
  H     -5.67363775     -0.19300695     -3.71406203
  H      0.81016885      0.52615741     -1.21279244
  O     -2.29341506     -1.13476211     -0.15167191
  H     -5.57252497      1.79908882      2.28727904
  H      1.00838045      1.38007169      0.06334306
  O     -4.59085251     -1.78959326     -3.47955551
  H     -4.76539613      1.12624176      3.41579159
  H      0.08039926      3.77296856      0.19031586
  O     -4.73233447     -1.08848066      1.09878878
  H      0.65360687     -2.07508870      1.55574529
  H     -0.00030273      2.99524358      1.53160217
  O     -2.26613314     -0.48340694     -2.79477004
  H      0.42744744     -0.73069512      0.82330012
  H     -5.60818363     -2.05987127     -1.88193654
  O     -3.68608918      1.96261999     -3.22208902
  H     -1.56709495     -1.39497038      0.42817450
  H     -5.67797084     -1.91051976     -0.33810345
  O      0.23381602      0.81088661     -2.99667383
  H     -3.13177267     -1.21358274      0.32626930
  H     -2.00320590      3.22009512      3.14856952
  O     -1.42486426     -0.12882794      3.54556005
  H     -3.72943533     -1.37352729     -3.31232927
  H     -1.75861820      2.19833674      2.02627403
  O     -0.89117202      5.06095316     -0.73942650
  H     -4.45084672     -2.43968718     -4.16396550
  H     -3.10705823     -0.47621065      3.73123204
  O     -4.26706331      2.89542769     -0.68385550
  H     -4.55708974     -1.06848942      2.04783310
  H     -4.23531928     -1.07858473      4.60252152
  O      1.01313724      0.47187221     -0.27156744
  H     -5.18591159     -0.25779800      0.89100748
  H     -2.12283488      0.66060295      0.16987647
  O      0.41417088      2.99634755      0.65801188
  H     -1.37905980     -0.14925019     -2.97182480
  H     -1.20471432      1.91837474      0.13004122
  O     -6.21379373     -2.04700695     -1.13008520
  H     -2.27182293     -0.76689587     -1.86695042
  H     -3.74092625      4.45224948      0.14681335
  O     -1.35917609      2.57930317      2.82492050
  H     -4.56825310      1.67014918     -3.49424640
  H     -3.34462817      4.88584834      1.57447545
  O     -4.06824576     -0.62661900      3.77991426
  H     -3.19008834      1.15141838     -3.04724542
  H     -7.30362159     -0.68554449     -1.30150572
  O     -2.09480311      1.61031079      0.33591878
  H     -0.19578117      1.68531546     -2.95238703
  H     -8.70645810     -0.04256084     -1.42750793
  O     -3.21363578      5.09505393      0.64252781
  H      0.85334342      0.84707073     -3.72081705
  H     -4.16662508      3.43465173      3.27471562
  O     -7.77586775      0.16213844     -1.39229002
  H     -0.87897795     -0.55839591      2.87678097
  H     -3.92554519      4.74293874      4.06299546
  O     -3.58700873      4.21522919      3.34491473
  H     -1.28947371      0.82299671      3.44309318
  H     -2.05679862      2.93257931     -3.03395138
  O     -1.12984677      3.12656348     -2.84223631
  H     -1.71714542      5.12040123     -0.22687872
  H     -1.11072705      3.82374813     -2.17727179
          69
 Energy    -250.26992049554536     
  O     12.24885021     11.15936171    -10.60077862
  H     11.55652654     11.14995391    -11.27366883
  H     16.45964477      6.00925377    -16.23374357
  O     13.17282836      8.12814629    -15.20429230
  H     13.06987015     11.35651188    -11.06988307
  H     17.09899564     11.48996590    -14.17924891
  O     15.79759180      9.12248099    -11.40269072
  H     13.31035466      7.87791811    -16.12541444
  H     17.20129470     13.00754722    -13.90387620
  O     18.10144812      8.76556965    -17.08880809
  H     14.05826025      8.26329762    -14.82729796
  H     15.62445057      8.55099385    -13.11901336
  O     12.61995229     10.69860931    -14.32269202
  H     15.15349021      8.51526459    -11.01456198
  H     16.31457105      8.93353779    -14.43677424
  O     15.49571573      5.04281681    -10.97040885
  H     15.33469840      9.94657543    -11.61008636
  H     11.64943087      8.94607058     -8.40257001
  O     12.49177112      6.62345737    -12.97997080
  H     18.72409481      8.93230648    -17.79153575
  H     12.07722686      9.68033288     -9.69686639
  O     15.71245700      9.82891815    -17.66493850
  H     17.26690291      9.20717079    -17.34104784
  H     17.46928145      5.63923955    -13.09370490
  O     14.09926805      4.30042702    -13.16327135
  H     12.70246186      9.80210847    -14.67714514
  H     18.68537841      5.03991422    -12.35329846
  O     17.88781624      9.96066002    -14.56564371
  H     11.77499535     10.74454957    -13.85912853
  H     11.05700965      7.52053705    -12.16736171
  O     14.04611366      7.46681289    -17.77833433
  H     16.38246436      5.32682972    -11.22091375
  H     10.85494336      8.24803687    -10.82018624
  O     16.46516815      6.39378009    -17.11995539
  H     15.01478556      5.82959989    -10.67793863
  H     18.40355567      7.58424913    -12.23810840
  O     16.58208237     12.28430557    -13.95977854
  H     12.64602190      7.12258983    -13.79475002
  H     17.60111631      8.81969161    -11.81448914
  O     15.62340263      8.37100220    -14.06872563
  H     12.90878364      5.76149875    -13.09753685
  H     15.99778112      6.63159888    -14.29524319
  O     11.92581489      8.80176929     -9.30319121
  H     15.03878453      9.15023130    -17.77636196
  H     15.47144792      5.17633014    -14.11124128
  O     17.99846588      5.69893222    -12.28110593
  H     15.31386756     10.54078488    -17.14284933
  H     13.85190557     11.50769951    -15.51086282
  O     10.47578525      8.13540375    -11.70061854
  H     13.86061370      3.37744413    -13.16651213
  H     15.28199645     12.06102448    -15.37034760
  O     18.40985341      8.54760699    -12.27212506
  H     14.58015501      4.46756598    -12.33138778
  H     13.24391704      7.75738254    -10.04559351
  O     16.22870698      5.69593540    -14.40832178
  H     18.22319285      9.44635587    -13.81366141
  H     13.39519194      7.11775574    -11.44943587
  O     14.63464566     11.75832849    -16.01759010
  H     18.14397264      9.53449812    -15.39245272
  H     15.20070225     11.80169229    -12.78915494
  O     13.86967859      7.30790053    -10.62738165
  H     13.71593110      7.09373636    -18.59116630
  H     13.84060099     11.10597388    -13.02661978
  O     14.46729128     11.36821366    -12.33567654
  H     14.88817782      7.01721854    -17.58415486
  H      9.43343670     10.93580985    -12.80072565
  O     10.33918184     10.66019250    -12.68969958
  H     17.11996355      7.10263419    -17.10312963
  H     10.31825946      9.73499879    -12.38555439
          69
 Energy    -250.26943524906608     
  O     14.54114574     12.07467478    -16.56146872
  H     14.08985973     11.63166897    -15.82127252
  H     15.84221563      4.56700831    -14.85080176
  O     15.50362012      5.65323117    -13.37586701
  H     14.11358520     12.91926471    -16.67489115
  H     18.72503752      5.12212598    -11.94789682
  O     18.43917544      8.66976922    -11.89010756
  H     14.78847142      6.23477308    -13.08226877
  H     19.99119219      5.64590805    -12.64520933
  O     18.08859786      7.23665373    -18.18163416
  H     16.16840337      5.67127236    -12.67396737
  H     18.23482299     10.16875366    -19.31463014
  O     15.81847849      5.46990457    -17.98807022
  H     19.25430780      8.29872239    -12.24788990
  H     17.86601327      8.95225335    -18.43948759
  O     16.56584750      9.59355850    -10.03925851
  H     18.05147036      9.19051848    -12.61135996
  H     15.79946622      7.68717040    -15.77030711
  O     13.72373034      7.61969707    -12.55131598
  H     17.33808842      6.63032959    -18.18811571
  H     16.15708957      6.90992390    -14.47635565
  O     17.20862549      9.94337294    -13.97504700
  H     18.58828026      7.03079930    -17.38202774
  H     13.80519567     10.66505155    -13.69723342
  O     18.95266798      3.89599138    -14.95172807
  H     15.95182635      4.97546691    -17.15904165
  H     12.93880277      9.89356058    -14.71299968
  O     15.07156573      7.11504300    -10.02641383
  H     15.58109014      4.83027799    -18.65428100
  H     11.60045050      7.81465144    -15.38444407
  O     19.04473809      6.65713454    -15.56890059
  H     17.30938777      9.29688121    -10.58919623
  H     13.10750602      7.85921345    -15.72473113
  O     16.21781006      4.17027303    -15.64834522
  H     16.94233805     10.08829786     -9.31545194
  H     20.03813590      7.21943848    -14.17245840
  O     19.48700886      4.84146753    -12.47377681
  H     13.15673329      7.69344257    -13.32902258
  H     21.37965668      7.70130523    -13.57649044
  O     17.70629050      9.90339075    -18.56622523
  H     14.17458395      8.47324419    -12.47729490
  H     17.68509978      6.98432828    -11.52685714
  O     16.47886575      7.58093961    -15.09353010
  H     17.33999462     10.57982428    -14.69086817
  H     16.54807838      6.30750973    -10.73111150
  O     13.32374770     10.75828710    -14.52937145
  H     16.94129142      9.11023283    -14.39284981
  H     14.69054333     10.67156143    -17.80231264
  O     12.45266282      8.06341290    -15.03527535
  H     19.12636045      4.13434285    -14.02342097
  H     15.82748508      9.91549798    -18.51687844
  O     20.50706834      7.39711109    -13.33941299
  H     19.53021317      3.16641128    -15.15985067
  H     15.74642632     10.14440207    -12.96906931
  O     17.30372534      6.12365619    -11.30786732
  H     15.46611081      7.98591558     -9.89131294
  H     15.38614858     10.10562951    -11.47161333
  O     14.88030568      9.88539197    -18.33028398
  H     14.43975017      7.21777524    -10.74884628
  H     17.53655114     10.98197421    -16.98962766
  O     14.99760820     10.11950852    -12.35299322
  H     18.14166046      6.98196606    -15.42689765
  H     16.40460253     11.79095376    -16.32682460
  O     17.31842741     11.50168648    -16.20613446
  H     19.02386859      5.69685057    -15.46170299
  H     14.75480645      6.86486143    -17.38814279
  O     14.37348056      7.62429629    -16.93120884
  H     17.13154820      3.95427385    -15.42525497
  H     14.50606515      8.41206267    -17.48290641
          69
 Energy    -250.26927694304982     
  O     -0.90851380     -0.11727883     -1.98611370
  H     -0.79510205     -0.96778852     -1.52931602
  H     -0.87391407     -4.87036012      1.55818893
  O     -0.55983167      2.23909988      2.75373330
  H     -0.28351214     -0.10861269     -2.70700121
  H      0.44180521      0.96376026      3.36867790
  O     -3.96189228     -3.86578881      2.85516889
  H     -1.41459231      2.19748740      3.20035778
  H      1.84863865      0.47926529      3.79043301
  O     -1.18436037     -4.03288238      3.22201810
  H     -0.75105872      2.17782050      1.80732215
  H     -3.62003067     -0.00033557      6.84883392
  O     -3.64833329     -2.92682885     -0.60021997
  H     -4.35376676     -3.07083353      2.46173860
  H     -3.45346647     -1.10078020      5.77863812
  O     -5.63060256      1.13853637     -1.64231755
  H     -3.99437004     -4.54386082      2.17019145
  H     -2.92854974      0.84163436      3.07595152
  O     -0.47991053     -1.02576855      5.84280406
  H     -2.14246335     -3.94223557      3.11301663
  H     -3.21568791      0.99582809      4.58686884
  O     -3.65698125     -5.53399812      0.54192090
  H     -1.01148507     -4.04577872      4.17126139
  H     -2.27507065      2.20654357     -0.07999121
  O     -3.90507825      2.86070670     -0.19168145
  H     -3.74150918     -3.86073809     -0.38199705
  H     -1.20846687      1.21566923     -0.66388224
  O     -0.21163640     -1.74968195      2.04049648
  H     -4.13248096     -2.44482389      0.08719064
  H     -6.13114920      1.25708017      1.52089610
  O     -0.86014398     -2.47263509     -0.55594684
  H     -6.16873762      1.29865362     -2.41290152
  H     -6.27609578      0.71136490      0.08862036
  O     -0.96546796     -5.14382414      0.63453817
  H     -4.96630733      0.47488452     -1.89952147
  H     -2.21382287      0.42951044      1.10949531
  O      0.94210144      0.19708567      3.70122332
  H     -1.34504894     -0.60277578      5.90508643
  H     -1.73220757     -0.80419782      1.91259496
  O     -3.21877540     -0.18249841      6.00259339
  H      0.01327839     -0.56030850      5.15706490
  H     -5.52868898     -0.97666720      1.38644899
  O     -3.14087575      1.49284023      3.76327423
  H     -3.91318324     -6.40859695      0.26251674
  H     -4.00328685     -1.10773350      1.61901910
  O     -1.45274013      1.72787890      0.11508095
  H     -2.68328953     -5.51017507      0.53945410
  H     -3.75685738     -1.52416624     -1.82990792
  O     -6.46580846      0.50761244      1.01392872
  H     -4.50262041      2.35030860     -0.75288304
  H     -2.79373840     -0.40924098     -2.28327775
  O     -2.50103292     -0.24705916      1.73798105
  H     -4.34012671      2.91976848      0.66763041
  H     -5.56446034      3.43107835      2.86717888
  O     -4.82217719     -1.62025959      1.52891799
  H      0.29322259     -1.15546409      2.60820020
  H     -4.48412260      2.32941812      2.93123729
  O     -3.72104011     -0.67169706     -2.28347681
  H     -0.46416820     -2.53190865      2.55200870
  H     -2.80202727     -3.23380266      5.73201531
  O     -5.17818132      2.71362822      2.37092407
  H     -0.56858352     -2.19283705      0.32481233
  H     -3.89090141     -3.22565220      4.63994494
  O     -3.63292060     -2.81545895      5.47473459
  H     -1.81885460     -2.61049238     -0.52203426
  H     -0.50802946     -4.07622568      6.73299605
  O     -0.93536696     -3.68567321      5.97616933
  H     -0.73651307     -4.37159359      0.10487003
  H     -0.69258343     -2.74148793      5.96712790
          69
 Energy    -250.26917417004779     
  O     15.44231156     11.39335418    -14.75904179
  H     14.58699424     11.04405167    -14.99575230
  H     17.62657139     12.15184488    -17.13772367
  O     18.58403318     16.14104415    -16.47813538
  H     15.88577701     11.63568955    -15.59294532
  H     18.83581970     10.41165464    -10.68882708
  O     21.25159716     10.38065964    -15.81338001
  H     18.89317380     16.39696203    -15.59946046
  H     17.60233149     10.41093048     -9.75014674
  O     19.15524532     13.42076971    -10.61484081
  H     19.32840646     15.70113160    -16.90593905
  H     20.74245351     16.96464880    -10.97837906
  O     20.40198765      9.84798359    -11.18139423
  H     21.64216538     11.04029892    -15.22358734
  H     20.77302902     18.49201237    -11.22519504
  O     17.54986570     10.35912766    -13.28422780
  H     20.79668001      9.76711022    -15.22385470
  H     20.82762850     12.74311862    -10.99335004
  O     19.50170954     12.25329854    -16.84097751
  H     18.66396733     12.60378681    -10.47640397
  H     22.35295830     12.98092795    -10.85874344
  O     21.88793974     15.00372013    -14.89038060
  H     18.68676875     13.90871233    -11.30983694
  H     20.33550823     13.74250147    -17.32761678
  O     20.75773353     15.62838334     -9.85048361
  H     20.40848608      9.49472349    -12.07830566
  H     21.16536219     14.56377513    -18.34171098
  O     21.69193066     12.44032985    -13.92213032
  H     21.00634338     10.60302336    -11.16585510
  H     22.43251567     16.78724539    -12.34680159
  O     15.64619956     14.22677660    -14.11245878
  H     16.73576528     10.65463525    -13.71410086
  H     22.82953007     15.80573040    -13.46877169
  O     16.67380150     12.24584923    -17.01579447
  H     17.49781886     10.54424548    -12.33719472
  H     20.01823329     16.99048577    -13.18172686
  O     17.96103380     10.81589080    -10.53545860
  H     20.11241754     11.51499938    -16.70328413
  H     20.45377035     15.93168378    -14.22522203
  O     20.84064012     17.64896488    -11.66479553
  H     19.20249154     12.49228915    -15.94912062
  H     24.18564044     14.61029557    -10.05303268
  O     21.69417014     12.33998005    -11.15273950
  H     21.91417568     14.09528478    -14.55324688
  H     23.32942517     15.06373147    -11.25933687
  O     20.76894939     14.60069057    -17.47503936
  H     21.65149535     14.94034829    -15.82276362
  H     18.95331809      9.31095164    -13.70987404
  O     23.10849141     16.15083557    -12.61073304
  H     20.13640479     14.89856818     -9.96997494
  H     19.59825458      7.92629674    -13.93161858
  O     19.69860397     16.45487061    -13.91850551
  H     21.63970257     15.23847034     -9.89308574
  H     18.49527216     11.81589624    -13.86922225
  O     23.33266536     14.50088620    -10.46421981
  H     21.84877637     12.36296376    -12.97294125
  H     18.58781672     13.35842167    -13.70534124
  O     19.80117864      8.85486933    -13.83978658
  H     20.72719975     12.46988204    -14.02222189
  H     17.02264598     15.45308770    -16.69560175
  O     18.95409128     12.60435845    -14.18268066
  H     15.74733170     14.56877904    -15.01043252
  H     15.62602199     15.60185789    -17.34107603
  O     16.15396387     15.02411856    -16.79659912
  H     15.50210709     13.27905230    -14.21240170
  H     17.06714987     14.64680040    -13.12862688
  O     17.93362885     14.70458081    -12.69925563
  H     16.49110772     13.19471103    -17.04609779
  H     18.45575410     15.39779422    -13.12542346
          69
 Energy    -250.26789266498866     
  O      2.14662909     -1.46163219      6.68127660
  H      2.90084640     -1.74976614      6.14627801
  H      4.19487839      2.49635156      4.33025692
  O     -0.79400675      1.63080970      7.26136072
  H      2.07276526     -0.50122236      6.59871022
  H      2.18505626      2.07002085      3.39554673
  O      0.39808557     -4.20551053      1.60090655
  H     -1.08025911      0.73107924      7.50205903
  H      1.25922735      0.89236729      2.98630468
  O     -3.07749267     -2.41454012      6.01713329
  H     -1.20495529      2.22565386      7.88276140
  H      6.21213738      0.32563939      1.72026339
  O      4.15458411     -2.19560594      4.96350747
  H     -0.21258599     -3.47673101      1.45252038
  H      4.97012700     -0.40636556      2.27490920
  O      3.12200581     -4.79787675      4.39074113
  H      0.25027885     -4.51092513      2.50910610
  H     -0.51610841      1.75661280      4.05011205
  O      0.50180704     -2.79348258      8.39723722
  H     -2.79295904     -1.94306860      5.21702426
  H     -1.27347781      1.67126499      5.38740228
  O     -1.53252595     -0.89009891      7.86304071
  H     -4.01624171     -2.56132798      5.93141486
  H      4.57228920      2.76950108      6.91043015
  O     -1.06448077     -4.41266464      6.61660620
  H      4.85692011     -1.56637757      5.18487477
  H      3.47170495      1.85043351      6.33548154
  O      3.74535446     -1.70367150      2.18289542
  H      3.95382943     -2.04491705      4.03091089
  H      0.48449831     -2.99834673      4.41167808
  O      5.90780439     -0.10672455      5.25424772
  H      3.56817458     -4.01579585      4.73841665
  H      1.02606096     -1.82707054      5.28749318
  O      3.93658614      2.47513936      3.40074659
  H      3.22929812     -4.75134399      3.43247816
  H      3.37315152     -4.99432157      0.88710225
  O      1.31273977      1.67720507      3.54750972
  H      1.15885968     -2.35289561      7.83145776
  H      2.13660751     -4.28191089      1.48256268
  O      5.57644831      0.33659472      2.43152160
  H      0.96811754     -3.10674859      9.16801558
  H     -1.09566397     -1.42243682      4.17881415
  O     -1.38216826      1.56560081      4.43480146
  H     -0.87035297     -1.52665572      8.15928573
  H     -1.88568026     -0.09882130      4.03634450
  O      4.39486602      2.13091406      6.22419968
  H     -2.13781490     -1.38059852      7.29414809
  H     -1.65559358     -1.57219896      2.17117134
  O      0.52413532     -2.03550453      4.49237637
  H     -1.80229589     -3.82326238      6.41972141
  H     -1.98119327     -1.67601249      0.66578924
  O      3.10874005     -4.33559910      1.52367783
  H     -0.52845841     -3.95169829      7.27355339
  H      1.31296291     -4.92609354      4.48443851
  O     -1.95189649     -1.05657016      3.90318840
  H      3.65105087     -2.61576158      1.87920365
  H     -0.12339149     -4.82324085      5.13934376
  O     -1.29741546     -1.84246828      1.30987849
  H      2.87294432     -1.29510475      2.08580774
  H      1.61580297      1.36382867      5.29691934
  O      0.37012265     -4.78518480      4.30777988
  H      5.47083191      0.65007330      5.66402467
  H      0.94141111      1.45083047      6.69165970
  O      1.77579763      1.25503425      6.24680921
  H      5.94720190      0.09353497      4.31019877
  H      0.41998476     -0.98670200      1.63234071
  O      1.17163004     -0.74284552      2.18230158
  H      4.50727555      1.81508686      2.98798459
  H      1.03099355     -1.21312736      3.02139396
          69
 Energy    -250.26699766859912     
  O     12.04640407     11.44773367    -15.33540214
  H     12.75545032     12.08019941    -15.16642432
  H     15.05354090      6.05391972    -14.69222572
  O     15.27608732      6.82458456    -13.01144771
  H     11.64090075     11.23138205    -14.48662351
  H     19.42306267      8.76381837    -12.67248169
  O     16.80468088     10.56080425    -11.02348092
  H     14.47258133      7.00333963    -12.50328376
  H     19.22771526      7.66082450    -13.72832137
  O     17.93406244     10.21116339    -14.98786265
  H     16.01082801      7.01657766    -12.41489514
  H     15.92098502     11.08129929    -17.21811490
  O     12.14537506      6.86573363    -15.81488904
  H     16.27490257     10.46277625    -10.21923583
  H     16.89499925     11.32566790    -16.05557953
  O     14.92614903     10.01011835     -9.09662085
  H     16.21274868     10.94968607    -11.68369171
  H     16.26272832      9.45423210    -14.65582564
  O     13.21359142      7.56317149    -11.29893788
  H     18.40478974      9.42594189    -15.29848303
  H     15.38410946      8.35150014    -13.96485568
  O     14.92604093     11.40695727    -12.85481709
  H     18.35149464     10.47518975    -14.15891990
  H     10.88757086      9.51439745    -13.11160452
  O     16.78947120      7.35089245    -16.99012519
  H     11.54262834      6.62688286    -16.51509841
  H      9.86588855     10.62506021    -12.77299701
  O     15.17060381      7.13172195     -9.28463955
  H     12.53060312      7.72620911    -16.05584806
  H     11.51415813      7.40402618    -14.10736309
  O     19.06717823      7.74419990    -15.64295823
  H     14.94260534      9.05348982     -8.97460139
  H     11.83383080      7.53649064    -12.59500008
  O     14.85777218      5.90969411    -15.62815475
  H     14.14762974     10.19489084     -9.63908299
  H     19.74740790     11.31589807    -12.12484451
  O     19.30572920      7.81132204    -12.77822406
  H     13.14972017      8.52901740    -11.25552151
  H     18.35787524     10.69106296    -11.86612621
  O     16.19226076     11.74350242    -16.57173679
  H     13.73329328      7.29396904    -10.53202993
  H     17.94527154      7.60447229    -11.63887857
  O     15.36386748      9.21555957    -14.39537112
  H     14.75745546     12.12516703    -13.47458996
  H     16.97811770      8.69336064    -11.11631366
  O     10.79198980     10.46929723    -12.93988025
  H     15.01983536     10.60514301    -13.39403923
  H     14.52186318      9.43128391    -17.60752947
  O     11.22099672      7.81726865    -13.28681088
  H     16.33602609      8.06276940    -17.45239327
  H     14.97136282      9.53584573    -19.08367349
  O     19.12470410     10.67796124    -12.46388669
  H     16.10769890      6.80313531    -16.57262158
  H     12.15419810     10.47716774    -11.64617288
  O     17.12781059      7.73846954    -11.13695138
  H     15.40946430      6.45546893     -8.65582021
  H     13.65846249     10.78682079    -11.72943842
  O     15.29594856      9.53891675    -18.18650967
  H     15.93285146      7.24310726     -9.87776671
  H     15.02912660     12.63235794    -15.61498032
  O     12.98965379     10.35374137    -11.17919649
  H     19.79817741      7.44889742    -16.17903838
  H     14.45601629     14.01377713    -15.22300349
  O     14.39792945     13.08299783    -15.02504060
  H     18.25540263      7.52664662    -16.13792393
  H     14.07303438      9.21478730    -15.61897852
  O     13.36220834      9.26849443    -16.27694536
  H     13.91409991      6.08114111    -15.72021249
  H     12.81801164     10.03355902    -16.03888269
          69
 Energy    -250.26583497539454     
  O     11.22381936      8.79125340    -13.21807044
  H     11.33326610      9.56703603    -12.65724868
  H     12.92664607     12.33788905    -14.78015112
  O     17.11880446      9.00470837    -15.00758674
  H     11.74498303      8.97121603    -14.01327345
  H     15.22297162     11.16653812    -13.58649461
  O     16.89365603     10.17983842    -10.50637608
  H     16.80375841      8.12433992    -14.75920692
  H     15.82759361      9.81330364    -14.07810166
  O     15.53801824     12.98113034    -13.28763866
  H     17.75994067      9.26848630    -14.33016015
  H     11.66445645      7.13563423    -12.91359653
  O     16.64218009      5.90090106    -10.29509772
  H     15.94746931     10.00016881    -10.59680956
  H     11.29718011      5.65686817    -12.63871972
  O     16.12618093      6.64678397    -13.88926930
  H     17.28155325      9.46241928     -9.98869084
  H     19.38557777      8.32601558    -12.14417478
  O     14.22112148      9.70763498    -11.12106925
  H     16.02753467     13.01630749    -12.45662538
  H     19.22002720      7.67728182    -10.76114603
  O     17.45178342     13.41504728    -15.28884681
  H     16.15381921     13.23597151    -13.98756848
  H     13.07168797      6.23052307    -14.47614269
  O     18.25925064      5.34316319    -12.60495399
  H     15.80561006      6.19852759    -10.67964732
  H     14.54466271      6.39786777    -14.90073626
  O     16.36135889     11.29141622    -16.53180573
  H     17.15850740      5.54389182    -11.02787860
  H     17.24111544     13.36791464    -10.18176298
  O     19.09532393     12.52260480    -13.12831910
  H     16.86712538      6.12042580    -13.56423502
  H     17.10521162     11.93100820    -10.73519036
  O     12.83755850     12.62999055    -13.86610759
  H     15.56791769      6.82884340    -13.11993780
  H     17.93859833      9.91588930    -12.08802451
  O     15.08193961     10.21165192    -13.61118912
  H     13.38481087     10.18511068    -11.10156585
  H     18.90111900     10.74226243    -12.97776777
  O     12.03157755      6.23834989    -12.81454356
  H     14.55349446      9.83084542    -12.02771643
  H     17.50074189      7.20653620     -9.54896252
  O     19.56884730      7.51743196    -11.64587978
  H     17.11906432     12.65445266    -15.79940323
  H     18.29159031      7.76623356     -8.34207377
  O     13.63561987      6.47684088    -15.21957866
  H     17.65153842     14.10287854    -15.91770935
  H     12.96649689     11.65010761    -17.32144405
  O     17.17209046     12.86668310    -10.99028851
  H     18.79873700      6.10035169    -12.31344564
  H     13.24117680     10.63848565    -16.18593785
  O     18.57207906      9.84680366    -12.81363675
  H     18.86532951      4.64291079    -12.83032836
  H     14.30671984      7.89415065    -11.36627048
  O     18.02782896      7.96463477     -9.23643077
  H     15.39762752     11.32022408    -16.55501753
  H     13.60922751      6.64064038    -11.96389214
  O     13.45347044     11.53202308    -16.50941185
  H     16.62032757     10.43080927    -16.17695602
  H     11.22683132     11.71153458    -11.30199067
  O     14.45356007      6.97904044    -11.63938014
  H     18.63965947     12.85861825    -13.91080519
  H     12.17748628     11.69530568    -12.51734858
  O     11.86585758     11.17054012    -11.75874372
  H     18.55341579     12.78470968    -12.37406457
  H     13.29366021      8.22646887    -15.39209173
  O     13.10764836      9.16720648    -15.26022176
  H     13.72141946     12.93108752    -13.61163846
  H     13.76437824      9.50562857    -14.63283013
          69
 Energy    -250.26575150143302     
  O     13.47780002      6.37674241    -13.48089514
  H     13.23578276      6.39958604    -14.41876864
  H     18.44164507     10.09896773    -12.57792105
  O     17.15467650      6.81020080    -10.52239500
  H     12.94307435      7.03263556    -13.01492132
  H     14.90469006      7.50293228    -13.65037629
  O     18.24727704      7.71605211    -14.14543167
  H     16.48422618      6.31398673    -11.01287806
  H     15.44222218      8.66747725    -14.52576900
  O     12.51927711      9.53081330    -16.49298464
  H     16.86404329      6.82463560     -9.60247630
  H     15.08857606     11.88693385    -13.66549649
  O     14.26442391      8.92781266     -8.88698501
  H     17.31875148      7.81228497    -13.88228647
  H     14.30838228     13.00117167    -12.92305707
  O     12.35552651      8.47092837    -11.97462406
  H     18.62378008      8.59844403    -14.06233296
  H     14.38527887      5.15545420    -10.21584942
  O     15.59906883      6.81957128    -17.40905611
  H     12.32078077      9.87019301    -15.60172105
  H     14.63778183      5.75401167     -8.81646585
  O     12.00372720      7.25936701     -9.49072478
  H     11.91132816      9.95597528    -17.09140981
  H     12.04461186      9.77023273    -13.30076534
  O     17.26490158      5.60982960    -15.68314796
  H     14.50291268      9.29693129     -9.74640723
  H     12.82715119     11.05234433    -13.68111719
  O     13.02788364      6.73038855    -16.15188509
  H     13.41790208      8.48047775     -9.01266255
  H     18.51246499      6.02687620    -11.54525134
  O     17.27874612      3.86477368    -13.39548582
  H     13.18639703      8.92503891    -11.77946077
  H     18.90316287      6.40629382    -12.97628225
  O     18.79165773     10.39313961    -13.43877560
  H     12.07977454      8.05401606    -11.14782217
  H     15.88991660      4.59960755    -12.36757728
  O     15.55282501      8.21846194    -13.67697159
  H     16.18797519      6.32831392    -16.80822484
  H     14.61007677      5.47953962    -12.43473532
  O     14.33693231     12.05962003    -13.06899148
  H     15.82185397      6.54395929    -18.29405106
  H     15.37082602      7.72262274     -8.25542939
  O     13.95097102      5.37942940     -9.38146251
  H     12.64312920      6.52413263     -9.47057862
  H     16.20450271      7.09678237     -7.11038619
  O     12.14710607     10.44077447    -13.98846703
  H     11.25614683      6.98921308     -8.96477651
  H     17.25210599     11.10326628    -14.30714756
  O     18.97580394      5.69406405    -12.32593231
  H     17.74291948      6.33804631    -15.26166175
  H     16.13868032     10.77710666    -15.33724522
  O     15.29264792      5.14046450    -11.83729748
  H     17.18431736      4.92556812    -15.00991915
  H     14.65527620     10.66089905    -11.94085215
  O     15.92056723      6.95677774     -8.00928272
  H     12.72907302      7.63534872    -16.30459996
  H     15.18392031      9.22948577    -12.25080066
  O     16.41287720     11.41627252    -14.66576358
  H     13.86182732      6.64971897    -16.63181453
  H     17.60278705      8.56321616    -10.93778189
  O     14.84103084      9.79990476    -11.54266885
  H     17.61471621      2.97272261    -13.37118579
  H     16.74281887      9.81482384    -11.10485163
  O     17.65580295      9.50928716    -11.13288280
  H     17.96559163      4.43500308    -13.00400375
  H     15.52844175      8.55318295    -16.70954946
  O     15.30983851      9.36503996    -16.23364865
  H     19.60283718     10.86124960    -13.25979257
  H     14.36551574      9.51444633    -16.37854510
          69
 Energy    -250.26483631659448     
  O     20.23627802      7.41674936    -11.62084993
  H     19.81259912      6.86550000    -12.30458074
  H     17.45452607     13.19586418    -15.39007196
  O     17.42592517     11.03465243    -11.50702393
  H     20.84341367      6.85330919    -11.14836705
  H     14.06272393      8.99463883    -15.84659459
  O     12.31812140      8.96493433    -11.88488056
  H     17.05529565     11.70427402    -10.92188722
  H     12.71622188      9.68300343    -15.50704772
  O     16.29122216      6.87031744    -12.82836012
  H     16.72700731     10.84951334    -12.15710577
  H     15.33832297      9.75855049    -13.74710075
  O     13.87908500      6.58956117    -11.37287622
  H     12.76098986      8.11158160    -11.81568549
  H     14.84883528     11.22470868    -13.59007574
  O     18.91723756      6.10830254    -13.59802314
  H     12.78507343      9.55513399    -11.27772046
  H     13.66750813     12.13353904    -17.92019734
  O     13.69982572     12.45077068    -14.37738694
  H     16.76298826      7.41228236    -12.17876882
  H     13.83726948     10.98520306    -16.89513872
  O     17.94618797      9.69885939    -15.66595276
  H     15.44703092      6.63796701    -12.42254574
  H     14.85539876      9.03319143     -9.77660458
  O     17.69010748      8.35433148    -10.89173838
  H     13.49264651      5.81444606    -10.97336176
  H     16.12604596      8.16380672     -9.87475249
  O     16.88833270     12.12967340    -16.61980877
  H     14.32034047      7.08399126    -10.65727360
  H     20.42809921     10.05068976    -13.65826988
  O     19.93294817      7.73384420    -15.74411939
  H     19.14371152      6.55674979    -14.42195600
  H     20.78036448      8.73433727    -12.91566531
  O     17.81269532     13.70452657    -14.63936600
  H     17.96837612      6.22527111    -13.45918439
  H     14.84243868     13.54461334    -13.35831396
  O     13.31731376      9.47612729    -16.23319718
  H     13.85504623     12.40764009    -15.32983081
  H     16.35414198     13.85711488    -13.40763869
  O     15.30227223     10.50389907    -13.13616981
  H     12.94407094     11.87369178    -14.20175307
  H     15.81405454     13.70004777     -9.67298285
  O     14.12420330     11.88918207    -17.12005296
  H     18.31130417     10.23436263    -14.94738428
  H     15.67453411     13.35374860    -11.17418973
  O     15.20046406      8.14819413     -9.59666688
  H     18.59590413      9.00936299    -15.85078355
  H     14.57346247     11.43105923    -10.30092806
  O     20.94258256      9.23503836    -13.72481896
  H     18.60295409      8.06640096    -11.01080517
  H     14.51917148     10.46265032    -11.48787288
  O     15.57908578     13.88398891    -12.83331199
  H     17.66846390      9.31052699    -11.03842245
  H     18.79928355     12.21763735    -14.00803598
  O     15.76446752     12.96934377    -10.28271513
  H     15.96048402     12.03811561    -16.86726169
  H     18.60963905     11.24684155    -12.83022812
  O     14.18531855     10.59706589    -10.58662663
  H     17.22652576     11.23809166    -16.46439882
  H     10.76636601     10.52580733    -14.10078069
  O     19.07637428     11.35703527    -13.67123604
  H     20.58975176      7.47059636    -16.38299005
  H     11.91750697      9.89017994    -13.29348265
  O     11.71653880     10.45272895    -14.06200604
  H     20.39271090      8.26167239    -15.06489865
  H     16.40424657      8.84604672    -15.29192696
  O     15.57904277      8.44869186    -14.97755009
  H     18.21844645     14.48543931    -15.00737571
  H     15.81200977      7.79670584    -14.30263005
          69
 Energy    -250.26467662793885     
  O     10.58965812     10.81078236     -9.89166199
  H     10.89999425     11.19302281    -10.73024745
  H     11.82871849     12.48373107    -12.74296383
  O     14.33913699      9.71245136    -15.25569929
  H      9.75397686     11.22567181     -9.69329095
  H     15.40429683     14.22600190    -14.77867761
  O     11.20142425      8.10390948    -10.57805980
  H     15.01706001     10.15416375    -14.72422919
  H     15.41503721     12.68514445    -14.59898362
  O     14.24477877      7.34382465    -13.60767244
  H     14.20001323     10.28019918    -16.02317119
  H     16.53776829     10.66015202     -9.66429068
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  H     16.56877864      9.35410834    -10.48843135
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  H     14.70689078      9.32297612    -11.37973967
  O     11.40168837      7.27443351    -13.14354421
  H     14.33898800      8.01626482    -14.29342271
  H     14.87711557      7.92894820    -12.01851763
  O     13.54436059      7.84972379     -9.00615651
  H     13.29494504      7.21811643    -13.48789806
  H     14.51173312     15.55905170    -12.68996634
  O     14.24661703     11.04481676    -11.66542421
  H     15.09356208     12.77637795     -9.26707701
  H     13.14309093     14.85984139    -12.65607636
  O     12.93866119     10.55191152     -8.27148520
  H     14.38557270     11.47119113     -8.73140098
  H     17.92979531     11.02027415    -11.34264340
  O     17.24202506     14.23139002    -11.73988994
  H     14.31831134     12.48683995    -16.47558414
  H     19.21615762     11.38575535    -12.11965158
  O     11.60974414     11.67259392    -12.26555047
  H     14.23167290     12.08358942    -17.96504677
  H     11.84975381     13.30037905    -14.64733413
  O     14.99483798     13.40904506    -15.08830968
  H     11.31069756      7.54295746    -12.21160248
  H     13.30826140     13.61409846    -14.29138746
  O     17.12790116     10.06329023    -10.14718173
  H     10.80639758      6.54220661    -13.27860499
  H     14.53582104     14.78193580    -10.60545525
  O     15.04318153      8.43075090    -11.20848155
  H     14.13207523      7.99282756     -9.76822545
  H     15.06723404     15.27354421     -9.24192143
  O     13.78742131     15.31500080    -12.10009013
  H     13.93651902      7.15662985     -8.48170813
  H     15.38326497     11.23643795    -12.96187093
  O     18.28807316     11.59076665    -12.04660244
  H     14.52904693     11.37725173    -10.80272401
  H     16.89456485     11.33841610    -13.27488479
  O     12.40314398     13.70790779    -13.96486272
  H     13.32031948     11.27384307    -11.79816449
  H     12.06482800     12.02548538    -16.47531366
  O     15.07780362     14.52832653     -9.83777452
  H     13.14414287      9.61704525     -8.40028034
  H     11.22139140     11.27035151    -15.44049635
  O     16.02636294     11.28297010    -13.68835021
  H     12.10770633     10.70364533     -8.73748482
  H     16.61978986     16.38484245    -13.97040380
  O     11.27866882     12.10662962    -15.92128804
  H     17.61950605     13.34487756    -11.78560698
  H     16.59163294     15.12306216    -13.07180718
  O     16.11108705     15.60399304    -13.77093061
  H     16.62344437     14.24204362    -11.00018136
  H     11.48265526      8.92153175    -13.96603412
  O     11.70000712      9.80666832    -14.28322603
  H     11.55782854     10.97129103    -12.93286742
  H     12.61934766      9.77316025    -14.58370390
          69
 Energy    -250.26456673631617     
  O     -3.47408640      0.32909488      2.03616036
  H     -3.38279610     -0.20669948      1.23210507
  H      3.24824216      0.87719679      1.36296079
  O     -1.00361008      2.81722475      0.68168644
  H     -3.72427597      1.21353163      1.74599664
  H      0.01711782     -4.34519278      1.34019016
  O      1.56691198      1.08409131      4.08107048
  H     -1.94610706      3.01707887      0.71557221
  H     -0.62284086     -5.62366657      1.92540717
  O      1.39047132     -3.56239981      0.60029392
  H     -0.84112493      2.18456214      1.39630323
  H     -1.73418160      0.67727366      2.56836021
  O     -3.23944465     -1.22112913     -0.25127559
  H      0.66887772      1.11130246      3.72173911
  H     -0.33201225      0.17737805      2.13918261
  O     -3.59547580      1.29668740     -1.50737378
  H      1.73636992      0.15633178      4.28462419
  H     -3.38102576     -2.99041239      2.27695785
  O     -0.75949116      1.62224765     -1.85987408
  H      1.52598346     -3.27863363     -0.31155000
  H     -2.44042521     -3.89778575      1.46890713
  O      1.60588048     -2.50470963     -2.05592749
  H      2.16714100     -3.30424101      1.12235817
  H     -1.47902503     -2.32408703      3.93261386
  O     -0.77064776     -1.10011160     -1.46688173
  H     -3.34448990     -2.05738300      0.22534644
  H     -0.65025825     -3.43364884      3.25859254
  O      0.47791359     -0.89327017      1.00394475
  H     -2.38915859     -1.27242970     -0.71088676
  H      2.19437429      3.16988814      0.89222664
  O     -3.31775113     -1.78113688      3.79951984
  H     -2.70393364      1.42675865     -1.85390305
  H      0.75542120      3.39019788      0.36990134
  O      3.12498759      0.04911816      0.88488762
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  H      2.87892432     -2.22646852      3.03126533
  O     -0.74745826     -4.68187605      1.83828304
  H      0.08879071      1.92057858     -2.20951583
  H      3.45749559     -1.59437212      1.75183399
  O     -0.79203648      0.86736882      2.64427376
  H     -0.83742271      2.01475622     -0.97793209
  H      0.95581136     -2.05459521      4.32749651
  O     -3.27061921     -3.40825465      1.41445246
  H      2.11987158     -1.67632190     -2.03043164
  H      2.06290991     -2.06337612      5.40373885
  O     -0.59606762     -2.70859024      3.89297789
  H      1.89461014     -2.98437998     -2.82762125
  H      3.82374051      2.91126905      2.83240019
  O      1.68711331      3.44477585      0.11924274
  H     -0.69224979     -0.17415008     -1.74096529
  H      2.58732448      2.00330055      3.03395348
  O      3.29296320     -2.44241326      2.18580308
  H     -0.02376389     -1.59768556     -1.81973186
  H      2.58554936      0.71527748     -2.14772694
  O      1.84527817     -1.71997902      4.54046681
  H      0.74761011     -1.81175031      1.11580262
  H      3.12886054     -0.06440374     -0.93557547
  O      3.13736218      2.44588592      2.36216161
  H      0.00423175     -0.86683846      0.16222961
  H     -4.54092936      3.47553832      0.65025530
  O      2.89605377     -0.15420596     -1.87098419
  H     -3.45410742     -0.98758192      3.25662824
  H     -3.84847749      2.32790869     -0.12583363
  O     -3.85402421      2.81821315      0.71712377
  H     -3.96178262     -1.74353874      4.50261786
  H      1.88366987      2.84065939     -1.49612398
  O      1.87544253      2.45922688     -2.39351318
  H      2.18341408     -0.17152461      0.94856345
  H      2.23333226      3.12294885     -2.97690393
          69
 Energy    -250.26414258148702     
  O     -5.55327397      1.05269156     -1.22226145
  H     -4.98610839      1.77472495     -0.91376659
  H     -2.40185771     -2.65528432      3.50426582
  O     -5.27195729      1.61072929     -3.91060600
  H     -6.01226315      0.71932209     -0.44101866
  H     -1.36093216      1.85474690      3.70321141
  O     -6.51406607      0.16314135      1.26067640
  H     -5.49578449      1.39664753     -2.98898982
  H     -0.54005011      2.48137835      4.85370588
  O     -0.36507384     -1.54181582      1.38237254
  H     -6.09661485      1.77712943     -4.36055859
  H     -1.10414231      4.79593840      1.56961293
  O     -1.45073905     -0.75366868     -1.11895612
  H     -6.06963684      0.82425000      1.82139385
  H     -1.22693488      3.91512019      2.84529219
  O     -3.44079539     -0.62169531     -4.19644727
  H     -7.38348803      0.03002508      1.62913798
  H     -3.09247354      2.53483371     -0.09574822
  O     -4.10887253     -1.38144310     -1.53576242
  H     -0.59311787     -1.38033282      0.45865067
  H     -4.09263032      3.66258313      0.28461416
  O     -1.32882276      0.93066482     -3.38290377
  H      0.18001561     -0.79720088      1.67534113
  H      0.59942996      1.29738951      2.86474176
  O     -3.02476380      3.15360042     -3.04482277
  H     -2.35145539     -1.08903866     -1.23791591
  H      1.15531131      1.31762863      1.43984765
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  H     -1.25893175     -0.22636118     -1.90409595
  H      0.50368643      5.98789828      0.07224946
  O      1.01310316      2.18265138     -2.79134698
  H     -3.67834709     -1.10258222     -3.39203026
  H     -0.30547284      5.02885006     -0.82993993
  O     -2.54575712     -1.94443010      2.88582662
  H     -4.10198804      0.07623174     -4.27906053
  H     -2.33160136      1.04409378      2.08096594
  O     -0.61665787      2.44855191      3.90300757
  H     -4.56989005     -0.53342204     -1.49527262
  H     -2.62965047     -0.12518887      3.06199261
  O     -1.68240162      4.57567898      2.30993301
  H     -4.31638086     -1.82193487     -0.69800693
  H     -5.32915414     -1.37675371      1.22275783
  O     -3.83114547      3.06947748     -0.42800662
  H     -1.93001157      0.30005148     -3.80544218
  H     -4.02126434     -2.06815492      1.68497250
  O      1.03898975      0.74446741      2.20940770
  H     -1.86242293      1.72082446     -3.21890101
  H     -1.73971381      0.66272172     -0.06546379
  O     -0.00992436      5.18393898      0.08484857
  H     -3.30749981      3.22989947     -2.12015342
  H     -0.90391829      1.88462394      0.37591808
  O     -2.62319472      0.83713933      2.98269227
  H     -3.77072739      2.76646153     -3.51736155
  H     -4.70211080      5.41717853      2.09088483
  O     -4.72511576     -2.10307909      1.02618717
  H      0.67055245      3.44315521      0.11487245
  H     -3.39046782      4.59534728      2.08738821
  O     -1.78582216      1.49572675      0.42385178
  H      0.97344297      2.32687599     -0.91792036
  H     -4.30256545      1.56566155      2.94432933
  O     -4.34362989      4.55831235      1.88561015
  H      0.24733807      1.65407801     -3.07483173
  H     -4.98583126      2.87985162      2.52230131
  O     -5.16484308      1.96218863      2.75645928
  H      1.73944485      1.94007036     -3.35990087
  H     -1.48228365      4.20570164     -2.77906660
  O     -0.62423419      4.53239681     -2.47945425
  H     -1.73567490     -1.87316185      2.34609242
  H      0.01156179      3.84090455     -2.70086565
          69
 Energy    -250.26365738793413     
  O     -6.80387007     -3.47270442      5.42290797
  H     -6.12929581     -2.92104932      5.83836218
  H     -7.09216447      0.27277694      2.93920239
  O     -6.25774099     -4.62002425      3.03116477
  H     -7.58842448     -2.92609715      5.30598663
  H     -4.05412960     -2.13490595      7.12304677
  O     -5.34254439      1.32549802      0.73023693
  H     -6.41910677     -4.29296005      3.93494113
  H     -4.23390350     -1.56607961      5.69414413
  O     -6.52087774      0.25178699      6.18092968
  H     -5.99350020     -5.53264424      3.10878790
  H     -1.66069899      4.34750397      2.74588721
  O     -6.39366152      5.58339490      2.37343200
  H     -5.41374396      0.48675429      0.26238804
  H     -3.09585744      4.43884867      3.32143179
  O     -9.01439297     -1.77627503      4.46749846
  H     -6.23720323      1.50934133      1.05997399
  H     -9.85473858      1.52262363      5.17497087
  O     -3.53038423     -1.07185741      4.19514601
  H     -5.89112880     -0.39875893      6.51418722
  H     -9.39220098      2.70446436      4.29361352
  O     -4.71930617      4.09121806      0.82389623
  H     -6.59254537      0.07107496      5.22814938
  H     -9.94038242     -0.62375454      2.95955375
  O     -8.82001807     -3.58961739      2.26279405
  H     -5.84818492      5.06345270      1.75639905
  H    -10.24570556      0.87282900      3.03752366
  O     -6.01182956     -1.24782458     -0.28865841
  H     -6.64841923      6.37790085      1.91198943
  H     -5.34272162     -1.96691774      1.28454468
  O     -3.84046782      1.51170924      3.10525400
  H     -8.24694762     -1.33417552      4.06598295
  H     -5.46919627     -3.08259751      2.37340414
  O     -6.81917462     -0.42530519      3.54654438
  H     -9.29386930     -1.20902816      5.19585375
  H     -9.21938237     -0.87165725      0.84706528
  O     -4.71109486     -1.83432012      6.50140543
  H     -3.52066590     -0.15283093      3.89757842
  H     -8.69269848     -2.30570198      0.99820069
  O     -2.53280770      3.96908648      2.67992440
  H     -3.92071797     -1.56860481      3.46314981
  H     -9.54992816      0.25088041      7.39297359
  O    -10.09326577      2.04896554      4.40273404
  H     -4.91028499      3.16692409      0.61961477
  H     -8.28616694      0.27883624      6.50110798
  O    -10.07525438      0.15277266      2.40786405
  H     -3.88390788      4.08641126      1.30759186
  H     -5.06096320      5.41574376      3.77365646
  O     -5.11737009     -2.20080538      2.19376197
  H     -7.99447578     -4.05571323      2.44105622
  H     -4.73719380      4.31776936      4.80313189
  O     -8.59583219     -1.49829444      0.46995325
  H     -9.04139854     -3.13010626      3.08225697
  H     -4.94884797      2.19238970      4.39752826
  O     -9.25605279      0.21801234      6.48581388
  H     -5.93092541     -1.57439417     -1.18076318
  H     -5.79647603      1.89584731      5.65892870
  O     -4.36227420      5.08743210      4.35344541
  H     -6.95799658     -1.29801874     -0.05816716
  H     -8.61555039      1.16283784      1.93505251
  O     -5.50115354      2.60606129      5.07759425
  H     -4.32904222      1.37826125      2.28104471
  H     -7.81399645      2.36473121      2.51767758
  O     -7.76801917      1.62472430      1.89673814
  H     -3.25348877      2.26478412      2.96147079
  H     -7.44449628      4.38055658      3.33404436
  O     -7.77412947      3.61339331      3.81948014
  H     -6.20138229     -1.00794635      3.08792105
  H     -7.02347076      3.27406694      4.32811354
          69
 Energy    -250.26338974536509     
  O     17.50449807     11.39135747    -16.69941205
  H     17.39008621     10.52843397    -16.26998140
  H     20.37591358      8.50660916    -15.92450504
  O     15.41919701      5.98686644    -15.35380921
  H     18.38648270     11.68711494    -16.44945219
  H     16.56769155      8.89976840    -14.78701507
  O     18.86043803     12.34280973    -10.57090371
  H     16.15886242      5.80906630    -14.76188039
  H     16.88406390      8.31646167    -16.20391111
  O     19.43543098      7.62695476    -14.53433821
  H     15.80777734      6.23133010    -16.20516900
  H     15.20000012     11.95309187    -14.62110723
  O     14.81803276      8.84567349    -19.00927325
  H     19.35890193     11.62726753    -10.15671712
  H     15.82041196     11.89415490    -16.02374362
  O     17.28587239      9.20295821     -9.38541212
  H     18.92716088     12.19556520    -11.52442964
  H     17.28928558      6.73365132    -12.17935081
  O     15.48570765      8.95959853    -13.30578058
  H     19.65651974      8.06363547    -13.69964614
  H     16.47510576      8.04253222    -12.20528127
  O     18.76991174     11.42336912    -13.24273584
  H     18.68861915      8.12164970    -14.91183726
  H     13.54567549      9.06889067    -16.03546820
  O     13.42785642      7.71910981    -14.69575352
  H     14.39027188      9.19852586    -18.20626575
  H     14.09407412     10.50142300    -16.29936670
  O     16.57550205      7.16304259    -17.62205692
  H     14.13513892      8.75512389    -19.66745870
  H     20.39957492      9.66667954     -8.71882706
  O     17.75756616      5.59152702    -13.67941489
  H     17.10468390      8.54218738    -10.06667074
  H     18.98737661      9.61956994     -9.35426219
  O     20.55947629      9.12992494    -16.63894956
  H     16.78392033      9.99359009     -9.61927562
  H     18.65606025      8.47996549    -11.93233354
  O     17.20805220      8.90495326    -15.50988465
  H     14.64637859      8.67473931    -13.68624148
  H     19.82385998      9.24011044    -11.26018265
  O     14.97418949     11.88486863    -15.55618018
  H     15.49322882      9.91936072    -13.18752503
  H     17.16122931     12.08026741    -10.20910074
  O     17.11343190      7.53644861    -11.67672995
  H     19.02007370     10.54971898    -12.91050787
  H     15.83212654     12.40255317     -9.48412674
  O     13.73929652      9.70855750    -16.72857425
  H     19.25741971     11.56416341    -14.06249595
  H     18.42797031      8.91783754    -19.02234671
  O     19.90970909      9.89972789     -9.50230449
  H     12.62762375      7.25473763    -14.46642588
  H     19.38748844      7.85916300    -19.61872451
  O     19.48003657      8.95625000    -12.11539211
  H     14.08999798      7.04406706    -14.93206954
  H     15.92593045     11.75322080    -11.95625921
  O     16.23507376     11.79682102    -10.10096732
  H     17.43891889      7.32298846    -18.02357208
  H     16.94090165     11.61083741    -13.11531012
  O     18.97200395      8.13774544    -18.80661564
  H     15.92952274      7.65261374    -18.15099070
  H     20.87983661     12.21311018    -15.94205933
  O     15.99395568     11.63006482    -12.91068198
  H     18.41119517      6.21682472    -14.03403178
  H     20.33613222     10.76960889    -16.05844127
  O     20.13905967     11.65844747    -15.71270378
  H     18.18675542      4.73971349    -13.64450801
  H     17.35543824     10.76110578    -18.42764956
  O     17.30411069     10.21871749    -19.22734592
  H     20.06847626      8.80247283    -17.40262642
  H     16.40817052      9.86002227    -19.25173088
          69
 Energy    -250.26295161310611     
  O     16.77433126     10.39363486    -13.21740361
  H     17.39595170      9.82626280    -13.68547494
  H     15.48283086      4.40831320    -14.57147026
  O     15.62685561      4.80576342    -16.38399042
  H     16.89386525     10.23252558    -12.26687868
  H     13.47105341      9.11021481    -10.19425752
  O     12.33494685      7.90930872    -12.90390384
  H     16.02613928      5.69032508    -16.46596102
  H     12.84721324      8.08394891    -11.17336707
  O     12.83330177      5.64981872     -9.15272306
  H     16.02294919      4.26269442    -17.06033288
  H     15.35026477      9.22142319    -13.52051294
  O     12.83601100      5.37973859    -16.13956847
  H     11.71040068      8.35320093    -13.48787570
  H     15.45722323      7.68587688    -13.51498567
  O     16.65620060      7.30222750    -16.58261730
  H     13.22552497      8.15864007    -13.20202809
  H     17.86988412      7.61640968    -13.82052802
  O     14.02468265     10.86929194    -10.22756563
  H     12.89419781      6.56909553     -9.44592889
  H     19.24308288      8.12469765    -14.31777570
  O     15.56303844      4.77295125     -8.92784734
  H     13.72788261      5.38704121     -8.90351972
  H     11.09450810      8.62673549    -15.68980874
  O     14.37860809      8.95033852    -16.42428676
  H     12.67032550      5.21979730    -15.20057924
  H      9.86217116      9.30344330    -15.04565617
  O     12.08754989      3.80986853    -10.99240422
  H     13.76049491      5.15320061    -16.29591141
  H     13.50962832     10.55956435    -15.68697593
  O     14.90710308      3.24260937    -11.07305276
  H     15.94265224      7.94562485    -16.68899974
  H     12.14056479     10.55465085    -15.00119768
  O     15.30442116      4.40608873    -13.62274335
  H     17.27169645      7.68168087    -15.94494015
  H     12.34777687      4.68598445    -12.59019818
  O     13.28661607      8.16960504    -10.31576722
  H     14.06552354     11.19112715    -11.14717937
  H     12.48645159      6.12844659    -13.16073619
  O     14.86666710      8.41402786    -13.74103407
  H     13.76450790     11.61243750     -9.69007936
  H     11.60245226      7.60055581    -17.95304514
  O     18.30271485      8.25345897    -14.41580116
  H     16.03535119      4.26795923     -8.27192975
  H     12.17437778      6.82887707    -16.73678519
  O     10.79251557      9.13387808    -14.91861645
  H     15.40497818      4.17879949     -9.68362357
  H     15.24310901     11.47997530    -13.01690852
  O     12.94035823     11.08121649    -15.10841929
  H     14.51092030      8.71204644    -15.49258028
  H     13.80100645     11.56517430    -13.57053747
  O     12.64740183      5.19412973    -13.35408370
  H     13.56225806      8.52248546    -16.70764923
  H     16.37402986      5.75360458    -13.09275502
  O     11.86003087      7.70056518    -17.04045968
  H     12.27543538      4.48136476    -10.31155330
  H     16.56594437      6.77865942    -11.93159826
  O     14.33317211     11.69440339    -12.77370642
  H     11.36271285      3.28254089    -10.66829755
  H     16.60165084      8.92919282    -10.34515107
  O     16.80353057      6.58452908    -12.84983919
  H     13.94199097      3.27126801    -11.07288427
  H     15.87624460     10.28208451    -10.28849199
  O     16.71931385      9.87200183    -10.51894071
  H     15.17944203      3.50841567    -11.96065713
  H     15.00054525      7.50014390    -10.35320169
  O     15.91100495      7.17298342    -10.31796075
  H     14.38792302      4.70266588    -13.51562427
  H     15.90230213      6.38198297     -9.76550932
          69
 Energy    -250.26291500907411     
  O     -5.02245537      4.31046176     -2.11681395
  H     -5.26876084      3.51049815     -2.61715039
  H     -4.59975322     -0.33316972      2.94860786
  O     -5.21349008      2.79489330      0.21454830
  H     -5.45511211      5.04206819     -2.54901732
  H     -0.90899522     -0.26692535      2.30419022
  O     -3.38356848     -1.66221216      0.40322475
  H     -5.24928294      3.43317106     -0.50891486
  H      0.05795148      0.69343786      3.01799153
  O     -0.16873345     -0.21266215     -1.47283037
  H     -4.59250908      2.10744593     -0.07627941
  H     -2.34619411      2.97736483      1.69747517
  O     -2.86119741      1.25871814     -3.25697339
  H     -3.95547523     -1.55124554      1.17311920
  H     -1.33266102      1.81407840      1.87600979
  O     -4.09041528     -1.97010118     -2.26299902
  H     -2.46960901     -1.76155295      0.70242035
  H      2.72157230     -2.49087300      1.72027870
  O     -1.79513757     -1.30720974     -3.51391862
  H     -0.68553896     -0.56155477     -2.20893270
  H      2.33088490     -1.39609990      0.69733202
  O     -0.16924449      2.61580294     -1.02843582
  H     -0.25978519      0.74892502     -1.45720306
  H      2.00781452      1.40626873      1.82379810
  O     -0.66696329     -1.49369954      0.94659716
  H     -3.01092987      1.15844472     -2.30258826
  H      2.00441593     -0.03889266      2.35397571
  O      2.52937278     -0.44106567     -0.75430608
  H     -2.47634963      0.42894049     -3.55704650
  H     -4.62054775      1.69984226     -3.53364027
  O     -6.62995439      0.35535996      0.42690818
  H     -4.91277256     -1.46978111     -2.32340176
  H     -5.96943676      1.19102774     -3.00955829
  O     -5.13833784     -0.99675315      2.48132292
  H     -3.88007886     -2.02039488     -1.31969036
  H     -3.72823386      1.76566703      3.39890588
  O     -0.87900991      0.45920646      2.94234133
  H     -1.58704224     -1.93015362     -4.20421757
  H     -2.62273876      0.69672147      3.57324821
  O     -1.65198552      2.47989710      1.25043072
  H     -2.62643131     -1.60677456     -3.10103310
  H     -6.58330976     -0.19073066     -1.23854391
  O      2.07969197     -1.80873419      1.54379167
  H     -0.71917237      3.13041733     -1.63492123
  H     -7.35464203     -0.83347929     -2.41117752
  O      1.80789468      0.87329316      2.60267971
  H     -0.62522840      2.64911363     -0.17339109
  H     -3.33545979      0.07794342     -0.21556254
  O     -5.53918551      1.96727459     -3.38636258
  H      0.20945627     -1.77844247      1.23346102
  H     -2.64172314      1.44839043      0.07350149
  O     -3.57313412      0.85107479      3.66224402
  H     -0.53309121     -1.03883491      0.10077453
  H     -2.96467565      4.17402060     -2.35439073
  O     -6.51769810     -0.43936085     -2.17701781
  H      2.66009185      0.48386410     -0.50974954
  H     -2.28994255      2.97752360     -3.01818610
  O     -3.26452699      0.99460518     -0.50951762
  H      1.65069720     -0.46546566     -1.15891766
  H     -4.26505611      4.28729523      2.91589712
  O     -2.10019069      3.83156460     -2.60095065
  H     -6.32106686      1.27026640      0.44731299
  H     -4.49489608      3.29317729      1.75051848
  O     -3.95162035      3.47009913      2.53788726
  H     -6.18144053     -0.10163524      1.14819768
  H      2.87027968      3.05054241     -0.00652958
  O      2.32855705      2.27244231      0.10095392
  H     -5.55722979     -1.53137356      3.15070962
  H      1.49015340      2.45594296     -0.35431821
          69
 Energy    -250.26268320844798     
  O     12.24229281     11.24856792    -14.74029891
  H     12.50580492     10.51590061    -15.31644747
  H     19.60917652      7.61972432    -13.05427771
  O     15.23374658      6.30656164    -13.17494612
  H     12.96861792     11.88002477    -14.77586229
  H     15.85414303     10.74838485    -17.13840692
  O     17.76411195      9.55734817    -14.98736354
  H     16.07303756      6.30873043    -12.69445947
  H     16.89445964     10.87938466    -16.01327243
  O     11.95846211      6.65358809    -15.73211037
  H     14.55096976      6.51115120    -12.52229438
  H     15.21185901      7.96524369    -13.88773942
  O     15.47653828      9.58241117     -9.22251894
  H     18.21308708      8.83758519    -15.44761548
  H     14.51465977      8.93674042    -14.89144784
  O     13.52411641      7.16634270    -11.14704022
  H     16.86233931      9.24966779    -14.80159008
  H     11.43355555     10.58526743    -13.37301078
  O     15.25917536     11.13842702    -12.70699454
  H     11.18745501      6.19673876    -16.05723192
  H     10.16357282     10.54216475    -12.48810486
  O     16.40533192      7.11829380    -17.29067184
  H     11.78447833      6.86543577    -14.79715691
  H     11.27471761      8.30023615    -12.99511048
  O     15.70921725      6.88840186     -9.32390135
  H     16.15523622     10.12246552     -9.64473984
  H     12.11144179      7.13931041    -12.42793333
  O     18.98175248      7.22042710    -16.02886361
  H     14.65022716      9.79132753     -9.67888600
  H     18.30868251      9.39252548    -13.22721428
  O     14.63790031      5.61583185    -15.80841673
  H     14.15774686      6.91928475    -10.46292210
  H     18.24169089      9.84255620    -11.74687786
  O     19.61502754      6.72156034    -13.41112470
  H     13.47688919      8.13339776    -11.12682698
  H     16.94856531      6.67356089    -10.73828916
  O     16.21383130     11.36936636    -16.49329958
  H     15.04774855     11.83333162    -13.34152334
  H     17.76852906      7.52829842    -11.74658094
  O     15.20451499      8.87166152    -14.21950436
  H     15.26218174     10.30566048    -13.20562106
  H     16.55610834     11.22496239    -11.51859722
  O     11.02382551     10.14818425    -12.60400079
  H     15.80632889      6.52936147    -16.80657677
  H     17.53815498     12.04395112    -10.64457102
  O     11.52768073      7.38289911    -13.15647724
  H     17.27208931      7.03899523    -16.88029990
  H     15.64902570      8.51518334    -17.88631190
  O     18.55623679      9.13971142    -12.32606726
  H     15.76157877      6.50892971     -8.45072124
  H     15.13298298      9.28342721    -19.12795656
  O     17.44577320      6.63361372    -11.56420161
  H     15.67120980      7.85535518     -9.20989072
  H     13.96439864     10.44522731    -11.61312263
  O     17.24396989     11.15625861    -10.83313090
  H     19.75946216      7.07877448    -16.56328078
  H     12.47397690     10.08475411    -11.44296956
  O     15.16136262      9.30974372    -18.17582537
  H     19.21416818      6.93809659    -15.12818570
  H     15.19438359     12.33465237    -15.47503405
  O     13.34327717      9.97785980    -11.03702183
  H     13.70532547      5.85573200    -15.84728202
  H     14.71032831     13.74807367    -15.07614331
  O     14.63743641     12.82653491    -14.84405912
  H     14.88524244      5.70588584    -14.87750509
  H     13.78564441      9.14351782    -16.96504038
  O     13.21604932      9.10443400    -16.18606867
  H     18.98497323      6.25913751    -12.84598956
  H     12.76790110      8.24889186    -16.16794120
          69
 Energy    -250.26150572261798     
  O     11.38932127     10.97872163    -12.72893216
  H     11.58992425     10.29044293    -12.07487608
  H     13.37900974      5.52266172    -11.48390902
  O     14.43696123      5.53864695    -14.47972834
  H     10.55675516     11.36845319    -12.47316245
  H     13.05594593      8.91091513    -11.80594597
  O     15.69542237     11.76132898    -15.18360115
  H     14.79862652      6.38593008    -14.78374203
  H     12.84697972      9.13225093    -10.29162542
  O     14.25568765      9.28097674     -9.04537820
  H     15.09179252      4.86795984    -14.70653610
  H     19.74295284      4.68458489    -11.36698255
  O     11.98238258      9.43753155    -15.14016004
  H     15.17261994     11.21518365    -15.78147254
  H     18.25683703      4.73742304    -11.79534533
  O     18.19042196     11.17920852    -14.36169047
  H     15.12613250     11.94746357    -14.42275942
  H     13.84627068      9.98641503    -17.60935277
  O     14.10236606     11.88128310    -12.93428596
  H     14.80798441      8.64916636     -9.53771332
  H     13.31802070      9.78815516    -16.16796730
  O     15.58945398      7.63479707    -10.78838776
  H     14.45703886      9.16069251     -8.12095709
  H     12.69803525      6.28341418    -14.42528695
  O     18.63576643      5.64235211    -14.62210234
  H     11.90860410      8.51750445    -14.84444440
  H     11.69001619      6.57162768    -13.30698545
  O     16.72562344      3.91077976    -11.99457596
  H     11.71934516      9.98896085    -14.39717128
  H     15.09354459      8.61990597    -15.83023534
  O     16.63159343      3.82605360    -14.85802502
  H     17.30447887     11.42248955    -14.68654294
  H     16.35272939      8.15674513    -14.99828442
  O     14.30116811      5.35695756    -11.71031274
  H     18.79259605     11.84615273    -14.67970437
  H     10.83366877      6.07950589    -10.89348161
  O     12.37468799      8.94510444    -11.11296437
  H     14.47859584     11.91743734    -12.03922278
  H     11.81140344      7.23641615    -11.20635718
  O     19.10010824      5.22464689    -11.81850149
  H     13.14968892     11.76181595    -12.85896562
  H     14.97813054     10.90236801     -9.93572851
  O     14.12344859      9.93200483    -16.69910007
  H     15.19965994      6.77615421    -10.99987798
  H     16.19243909     11.30954837    -10.80804824
  O     11.91892829      6.81289816    -14.21042035
  H     15.32293980      8.22943996    -11.50936074
  H     18.63725944      7.01712875    -11.59773607
  O     15.42305933      7.97313279    -15.19431507
  H     18.94975155      5.49985685    -13.72018305
  H     17.32839450      7.75550189    -11.23680168
  O     11.63641883      6.29375626    -11.36215638
  H     18.49924777      6.59463981    -14.70505569
  H     14.52222672     10.05814012    -12.91085316
  O     15.30674123     11.58780442    -10.52438352
  H     16.65660761      3.72924542    -12.94085445
  H     14.74301194      8.71087426    -13.66721488
  O     18.21168895      7.88292639    -11.61274105
  H     15.87886354      4.29769637    -11.73965573
  H     18.03787703      9.79298657    -11.45758004
  O     14.52126092      9.09803622    -12.81282676
  H     17.35207146      4.48218284    -14.86424430
  H     17.90757677     10.94816099    -12.46173971
  O     17.72845163     10.70216045    -11.54641725
  H     16.86587859      3.15360044    -15.49164577
  H     18.06720984      8.21873541    -13.40888682
  O     18.02046495      8.39418403    -14.36023438
  H     14.35578151      5.43426349    -12.67581045
  H     18.18408929      9.33994565    -14.46641500
          69
 Energy    -250.26120461220262     
  O     12.43074347     11.12544818    -13.45377808
  H     12.49298583     11.81424868    -14.12596734
  H     16.76458670     13.89001628    -14.32613842
  O     20.06669763      9.95171193    -11.30949859
  H     13.34466651     10.86299956    -13.25819312
  H     14.33387845      7.60048645    -16.69850990
  O     16.51775158     11.79262557    -11.18883775
  H     19.79577742     10.70982260    -11.84495063
  H     14.97089027      8.20146293    -15.42431890
  O     12.69802145      6.92962943    -11.67758063
  H     20.21302950      9.22761812    -11.92943378
  H     14.53751432      9.73720510    -11.89438250
  O     17.45476353      7.32769465    -11.97370184
  H     15.97416154     12.54661070    -10.93677452
  H     15.33911316      9.53121789    -13.23400790
  O     15.31806834      6.11397351    -10.79533757
  H     15.97210641     11.27606422    -11.80466839
  H     15.43427586     11.20077790    -16.56478461
  O     13.09812005     13.03204056    -15.38658691
  H     11.92886383      6.39019132    -11.51279807
  H     14.32487249     10.12116125    -16.43735879
  O     18.63549779      9.77574018    -14.70432897
  H     12.53190179      7.39718998    -12.51600029
  H     16.47329399      8.58701630     -9.14189368
  O     17.63101180      9.48676987    -10.13794047
  H     16.76214530      6.75185731    -11.61823110
  H     15.90573590      8.05612033     -7.80536996
  O     17.19308102     11.52732061    -16.40197721
  H     17.50051398      8.09647557    -11.38904483
  H     14.88685255     13.95245608    -12.77635406
  O     19.90716647      7.74631081    -13.17709467
  H     14.44055711      6.29665177    -11.15327979
  H     14.42047914     13.72328553    -14.23938811
  O     17.66033704     13.78815476    -14.69643359
  H     15.39627706      6.64701300     -9.99376727
  H     14.27644746     14.45970845    -10.33701340
  O     14.19040965      8.23804944    -16.00319046
  H     13.59018579     12.33122950    -15.85587784
  H     13.79779860     13.06583616    -10.80346811
  O     14.91936896     10.18499273    -12.66364350
  H     12.61496556     13.51932229    -16.04768453
  H     12.90630021     10.92946469    -10.42795784
  O     14.47489122     11.06327242    -16.56105549
  H     19.19931814      9.08170823    -14.34343178
  H     12.33091035     11.64644446    -11.65548844
  O     15.72955998      8.10470310     -8.74134823
  H     18.66400674     10.50932968    -14.07167833
  H     17.98076513     11.91226640    -12.25879782
  O     15.16040986     14.02441710    -13.69738502
  H     17.19018807     10.31101249    -10.38838279
  H     18.50356702     12.61706115    -13.52158631
  O     14.50630967     13.72666193    -10.90141050
  H     18.56352093      9.60422404    -10.37107357
  H     12.12943140      9.30115569    -13.79523870
  O     12.60304909     11.79198390    -10.73839805
  H     17.77761054     10.87118194    -16.00405607
  H     12.82494346      8.26278751    -14.69671557
  O     18.70493661     11.90466701    -12.90120472
  H     17.35339712     12.34310207    -15.91144891
  H     13.24027075      8.40972927    -10.72157358
  O     12.24849698      8.35129267    -13.92805874
  H     19.07755661      7.46231577    -12.75744536
  H     14.32661883      8.86515474     -9.70863677
  O     13.68698919      9.18546816    -10.35608536
  H     20.43874599      6.96301649    -13.29346522
  H     17.04857629      8.90806828    -14.55299686
  O     16.30186917      8.35948378    -14.27350691
  H     17.93018105     14.64978888    -15.00246455
  H     16.61665563      7.86113764    -13.50819609
          69
 Energy    -250.26096248169478     
  O     12.44042931     11.67579874    -15.18440845
  H     11.92669353     11.48584903    -14.39012404
  H     17.81720404      6.97114924    -15.67232159
  O     14.61902695      6.54366767    -13.39337713
  H     13.19103439     12.22103087    -14.91978817
  H     17.20437558     11.18564279    -15.63958707
  O     17.29915622      9.69845273    -11.64242069
  H     15.49016707      6.57028236    -12.97230718
  H     16.32748099     11.13970029    -16.91129981
  O     17.80307955      9.87100983    -14.42479883
  H     13.95348114      6.76376675    -12.72773678
  H     14.44860878      9.15610996    -15.29650543
  O     11.74971159      7.26695566    -16.26190102
  H     16.51095321     10.19853301    -11.89809401
  H     14.87108365      8.10124731    -14.20046692
  O     14.15341795      9.23772085     -8.76287074
  H     17.26498344      9.61100187    -10.68159525
  H      9.95691478     11.07602689    -12.83959654
  O     12.72725880      7.39051264    -11.57849265
  H     17.90983820      9.94478509    -13.46803052
  H     10.84774695      9.87986955    -13.25526087
  O     15.00950921     10.90639293    -12.68546314
  H     16.90346011      9.53137531    -14.54721868
  H     16.72925618      6.47809659    -10.60636325
  O     13.74510839      6.41506069     -9.16956708
  H     11.11177512      6.81141359    -16.80486970
  H     16.68955023      7.36489202     -9.34912045
  O     16.25704252      7.42728996    -16.84260988
  H     12.53441768      6.69206636    -16.20630592
  H     11.23997096      7.83368931    -14.52217061
  O     14.02712646      5.84382413    -16.02263916
  H     13.64589667      9.65943662     -9.46864853
  H     11.50505358      7.74028038    -12.99227848
  O     18.33550027      7.10897065    -14.87159629
  H     13.90485933      8.30518854     -8.77573652
  H     17.64108699      6.85334796    -13.19462934
  O     16.59840056     11.70863998    -16.18172313
  H     12.96050811      6.95095253    -10.75091428
  H     17.21251494      7.89463634    -12.12686287
  O     15.12140084      8.92649013    -14.64108852
  H     12.79834699      8.34117803    -11.41057810
  H     15.89852470      9.31551968     -8.81771820
  O     10.86458067     10.80955098    -12.96052608
  H     15.00227702     11.73814230    -13.17504113
  H     17.24444302      9.57643226     -8.09887843
  O     16.40098772      6.51258001     -9.69828359
  H     14.96817423     10.20714521    -13.35396326
  H     15.37061839     10.12777715    -19.07086605
  O     10.99908885      8.20962665    -13.66797837
  H     14.69878364      6.36282721     -9.36337576
  H     14.69473967      9.79314766    -17.72112941
  O     17.14502640      6.96086899    -12.37057712
  H     13.54730875      5.70583829     -8.56429486
  H     12.12128126     10.46755345    -11.60541741
  O     16.86567052      9.23880992     -8.90604352
  H     15.95045952      7.84624489    -16.02720778
  H     13.66322310     10.47299372    -11.59581912
  O     15.55483067      9.88132980    -18.16768030
  H     16.19219377      8.12904916    -17.50050618
  H     15.08248793     13.94032283    -14.52465089
  O     12.88796073     10.15404057    -11.11069158
  H     14.79993429      6.19229868    -16.48310230
  H     15.49915735     12.59178301    -15.15836980
  O     14.88924717     13.00680746    -14.52168208
  H     14.23608953      5.89006953    -15.07822247
  H     12.67808723      8.83473855    -16.59210140
  O     13.29797891      9.57229782    -16.64011208
  H     18.42429065      8.06872887    -14.79864945
  H     12.90725599     10.34022356    -16.19276902
          69
 Energy    -250.26085661351618     
  O     -5.67451474      0.25339840     -0.27928776
  H     -5.02423943     -0.45108992     -0.41286979
  H     -0.85609459     -1.34526195      3.89040277
  O     -5.04992602      1.16213639     -4.87098472
  H     -5.95376661      0.18429164      0.64186141
  H     -1.35045396      4.38414583      1.27902344
  O     -6.08243571      0.00980846      2.48678233
  H     -5.58824917      0.72258424     -4.18770330
  H     -1.96619599      3.66235925      2.49319723
  O      0.36132100     -0.54538162      1.07046056
  H     -5.64648285      1.40938277     -5.57255216
  H     -4.67069636      3.35811889     -0.23191079
  O     -1.46408520     -0.73686582     -1.00733770
  H     -5.72378583      0.88226789      2.73062182
  H     -5.03502119      1.88904855     -0.66442737
  O     -3.39639977     -1.22326012     -4.85726281
  H     -6.82825557     -0.15256852      3.05772898
  H     -0.46816458      3.94716307     -1.09411284
  O     -3.88448261     -1.90745918     -0.53179468
  H      0.84661252      0.22373942      0.75285941
  H      0.44236869      3.14416234     -0.11475147
  O     -1.44623301      0.23367037     -3.59293207
  H     -0.18214755     -0.82268145      0.31885760
  H     -5.18546767     -3.60433043     -2.92397410
  O     -3.16264499      2.50986794     -3.29713706
  H     -1.69864092      0.09508908     -0.56410097
  H     -4.57040026     -2.49125444     -2.04625697
  O      1.63891753      1.71504273     -0.25465301
  H     -1.37658126     -0.52345732     -1.94481992
  H     -2.24366653      1.69569453      1.91661103
  O      0.81315345      1.69760774     -2.84491435
  H     -3.88361231     -1.79780052     -4.25377700
  H     -1.88470738      0.95649062      3.21130953
  O     -1.29348954     -0.82369242      3.22245008
  H     -3.96654437     -0.45966658     -5.01025491
  H     -3.02379282     -1.44696272      2.57538129
  O     -2.01148740      4.47858164      1.97755507
  H     -3.00160686     -1.57564905     -0.75063450
  H     -4.54782522     -1.17916562      2.42957059
  O     -4.53029004      2.68028488     -0.90530983
  H     -3.90095406     -2.02017880      0.43004423
  H     -1.51743047      2.36680527     -0.00002662
  O     -0.31839307      3.73935936     -0.16259529
  H     -1.98870017     -0.37734119     -4.11148335
  H     -3.00799250      1.99236863     -0.22755412
  O     -4.95437653     -2.67908444     -2.92021129
  H     -2.00132049      1.00865503     -3.43518017
  H     -3.67715870      4.60726447      1.45351480
  O     -2.23754720      1.79054395      2.88182067
  H     -3.66311330      2.62052712     -2.47528734
  H     -4.97458065      5.43266728      1.28446275
  O     -3.83958999     -1.78991960      2.19231551
  H     -3.78082064      2.13874938     -3.94009473
  H     -6.03674983     -1.12516598     -3.02067025
  O     -2.16700777      1.66014175      0.11062330
  H      2.59100850      1.77146277     -0.22530720
  H     -6.33209785      0.01905793     -2.03939392
  O     -4.61050595      4.55786334      1.17817077
  H      1.39661139      1.61234663     -1.19294345
  H     -4.98597075      3.15832616      2.46021340
  O     -6.39051174     -0.22730672     -2.97093547
  H      0.38628568      2.55147477     -2.98210506
  H     -4.00794810      2.16690096      3.11547087
  O     -4.94835782      2.38167761      3.02839830
  H      0.18307677      1.04988920     -3.18864749
  H     -1.70999882      3.54057163     -3.10854895
  O     -0.88687300      4.02402734     -2.92615095
  H     -0.66705843     -0.74234652      2.48126356
  H     -0.87158435      4.77035453     -3.52030180
          69
 Energy    -250.26062234932078     
  O     11.40625407     11.41335796    -13.39045127
  H     11.22504296     10.62333370    -12.86767835
  H     13.63995267      6.77636245    -13.79428073
  O     16.89241329     11.93516400    -12.04551197
  H     11.70080644     12.08376545    -12.76122442
  H     15.60377825     10.84726313    -12.64903551
  O     13.07901134      7.09683101    -12.20275229
  H     17.60670171     11.82261668    -12.68694421
  H     14.43845473     10.49325368    -13.63494273
  O     17.65185684      7.48046512    -11.15900397
  H     17.11474121     11.37590578    -11.28831833
  H     14.37666493      8.07983718    -15.86677286
  O     14.97149417      7.31443822    -10.12781892
  H     13.71409671      7.13171600    -11.47272963
  H     14.16869707      9.60519832    -16.01290720
  O     20.09176148      7.79192166    -12.62717187
  H     12.40022533      7.75296727    -12.01452663
  H     14.46921993     10.17421383     -9.25231780
  O     13.52042980     11.05095478    -15.10082478
  H     18.55556669      7.41484935    -11.48643249
  H     14.79820335      9.99779185     -7.75000028
  O     18.48878151      8.68847103    -14.72156143
  H     17.09790482      7.54636126    -11.95394080
  H     19.36343082     10.38075780    -10.78269531
  O     17.53971955     10.06940344    -10.07693769
  H     15.89853564      7.17453939    -10.35542515
  H     20.22959063      9.50580050    -11.70691097
  O     17.17684794      9.50838788    -17.06183986
  H     14.97510857      8.06350933     -9.52171077
  H     15.83192276     12.99220471    -15.63539200
  O     17.28959212     12.10750457    -15.87202578
  H     19.62881692      8.06066802    -13.43776344
  H     14.89933436     14.11839439    -16.14149623
  O     14.06028403      6.61394751    -14.65966053
  H     20.83240469      7.25661178    -12.90152401
  H     14.90546108     13.74820214    -13.63058538
  O     14.90918310     10.20192939    -12.84286053
  H     13.91808669     11.90988015    -15.29002710
  H     15.63905843     13.25481195    -12.36501894
  O     14.64614419      8.84858022    -16.38176855
  H     12.69686756     11.19786732    -14.61214036
  H     13.39354620     13.44897612    -11.88157712
  O     15.11207767      9.79706858     -8.62792658
  H     18.20966955      8.90625157    -15.61910032
  H     12.18843481     13.99227899    -11.07704663
  O     20.10593038     10.41227205    -11.39835782
  H     17.68406861      8.38446012    -14.27261952
  H     18.81726602     10.41780639    -14.12235659
  O     14.97623290     13.43333521    -15.48287715
  H     16.80536035     10.05546943     -9.45199948
  H     19.51374785     11.16256348    -12.96943343
  O     14.87746337     13.76882413    -12.66617781
  H     17.58624839      9.17383705    -10.44221173
  H     10.58569927      9.06372600    -10.84737419
  O     12.56366258     13.19374204    -11.43694797
  H     16.26622155      9.24534817    -16.83375951
  H     11.98128646      9.69763471    -11.04985124
  O     18.98315426     11.30212031    -13.76738116
  H     17.27954572      9.35541819    -17.99721283
  H     13.94084682     10.42957079    -11.36411360
  O     11.26646193      9.21705791    -11.49882460
  H     17.24953824     11.26436041    -16.33975088
  H     13.12163453     11.59582208    -10.74514026
  O     13.42360250     10.69189537    -10.58505388
  H     17.96441202     12.00423361    -15.18934113
  H     15.72543103      8.67641763    -13.19392196
  O     16.21580345      7.87681246    -13.43981986
  H     13.81039334      5.73238424    -14.92186609
  H     15.58965831      7.30289344    -13.89489529
          69
 Energy    -250.26006783528567     
  O     12.48899712      9.41783075    -16.25056590
  H     12.23622379     10.34595384    -16.17222764
  H     16.75668576      8.39687243    -11.64939746
  O     11.66991919      8.46669335    -12.55006618
  H     11.71281889      8.91160587    -15.97733891
  H     15.07842256      7.59306234    -13.13031612
  O     13.98110369      8.60174994    -14.11968310
  H     11.32487793      9.35484123    -12.37647019
  H     15.86346434      6.30052232    -12.80751213
  O     13.63901184     12.69447203     -6.79565535
  H     12.14704182      8.17042163    -11.76413359
  H     14.50866801     14.16096502    -11.18571925
  O     11.57219019     12.11551695    -15.77658769
  H     13.20185382      8.54794818    -13.54692689
  H     13.77188243     15.49450640    -11.44109444
  O     13.96525807      7.91953995     -7.83849274
  H     13.63761094      8.84146450    -14.99255165
  H     13.67435315      7.70463135     -9.63082818
  O     13.90687672     10.59329622    -10.57647695
  H     13.16023848     13.15367044     -7.50998062
  H     14.27968993      7.44722284    -11.05654013
  O     12.47958266     10.12802896     -7.32871779
  H     13.62527702     13.27228271     -6.03801160
  H     18.23470625     11.59035658    -12.88284093
  O     16.03768272     13.41396408    -10.81892666
  H     11.59526630     12.85163562    -16.38363217
  H     17.38449807     10.64471480    -11.99959095
  O     11.37474325     11.21240299     -9.67095990
  H     11.92224884     12.44272424    -14.93221446
  H      9.98139452     10.96155909    -13.05451866
  O     12.59099355     12.78843754    -13.28560366
  H     13.42947640      8.70300579     -7.61813887
  H     11.27313222     11.67494254    -12.57949635
  O     17.24115966      9.12074633    -11.23996879
  H     13.86710200      7.30924611     -7.11255326
  H     14.98977331     12.09167390     -7.92709766
  O     15.55754757      7.12084448    -12.42836838
  H     13.85732602      9.62902492    -10.55749965
  H     14.94325579     11.33338876     -9.28216622
  O     13.63292467     14.55471850    -11.35141962
  H     14.22036527     10.84299217    -11.45370952
  H     14.59020901     10.24281273    -13.59921662
  O     13.52221635      7.80936328    -10.57967484
  H     12.87986016     10.93985436     -6.99502119
  H     15.67700282     11.25959951    -13.09625163
  O     17.37550566     11.49242038    -12.48270155
  H     11.90626519     10.40710250     -8.05531476
  H      9.95267682     11.22863843    -15.19628821
  O     10.60279756     11.02990571    -12.31650023
  H     16.56909902     12.85631989    -11.39788480
  H      9.48421655      9.79443363    -14.89123968
  O     15.54164808     11.74723787     -8.63933789
  H     15.98137006     12.93756775     -9.97859780
  H     15.71951683      8.65582776     -8.25980014
  O     14.72949504     11.11988988    -13.21951280
  H     12.28613717     11.04362394     -9.96086254
  H     16.31403246     10.05787539     -8.46546630
  O      9.28353483     10.72264493    -14.71745176
  H     10.84472104     11.15127646    -10.47452704
  H     11.82938549     12.93806450     -9.17846724
  O     16.50425026      9.11569058     -8.57682823
  H     12.82177684     13.48368758    -12.65814621
  H     12.74074802     14.05631780     -9.72437145
  O     12.32044757     13.73112775     -8.92048777
  H     13.37130527     12.21364719    -13.33894487
  H      9.88948256      7.20633956    -15.00335472
  O     10.32316325      8.05347992    -14.93807101
  H     17.05064403      9.07820366    -10.29094681
  H     10.75017321      8.08148677    -14.06578968
          69
 Energy    -250.25983204007704     
  O     11.76936335      9.11417858    -12.17575118
  H     11.92576059      9.99536985    -11.81644253
  H     16.31240295      8.44337732    -16.55451351
  O     16.94375518      8.31481783    -14.92614514
  H     11.95768312      9.19170421    -13.12113373
  H     18.77867159     11.91133752    -15.15032631
  O     17.75578004     10.24167682    -10.86316580
  H     16.41393969      7.65835396    -14.44866784
  H     19.09197561     12.07952003    -13.65239078
  O     16.12291294     12.97018719    -13.86695834
  H     17.70803896      8.53983282    -14.37965646
  H     14.27755306     13.17976138    -13.65219456
  O     13.71158020      7.14468271    -15.90899787
  H     16.78789816     10.30466988    -10.87592390
  H     13.05024021     12.73260028    -14.46558214
  O     16.04401816      6.35628700    -10.00693413
  H     17.97732595      9.50797272    -10.27647141
  H     15.58585992     11.19614881    -13.98083167
  O     15.29429768      6.55431736    -13.59837538
  H     16.79702713     12.95967185    -13.17603765
  H     15.92525117      9.69291489    -14.27491999
  O     15.05072383     10.36830848    -11.15125411
  H     16.58531438     13.03285081    -14.71349738
  H     19.23949066      7.49639824    -12.42893328
  O     17.46824795     12.73008238    -16.30320854
  H     14.21101713      6.78062756    -15.16557655
  H     18.99246701      7.08547615    -10.96833607
  O     17.15200465      4.94455168    -12.24989795
  H     14.36121721      7.51637117    -16.51805669
  H     18.63903752     13.31254238    -11.39470387
  O     15.34483818     11.33038013    -17.18701589
  H     15.24563945      6.76615135    -10.36589438
  H     18.12842916     11.86180332    -11.53225853
  O     15.79899231      8.52269610    -17.37795221
  H     16.34995922      5.74052665    -10.68399796
  H     18.49077217      9.50411446    -12.42611251
  O     19.34521588     11.58410255    -14.44137086
  H     15.88081522      5.89438989    -13.20759589
  H     19.20781602      9.93957632    -13.72780510
  O     13.32126847     13.05004935    -13.59628640
  H     14.81625655      6.97200772    -12.86804560
  H     17.38664767      7.36631172     -9.55005850
  O     15.29303995     10.28534434    -13.85086316
  H     14.24928024     10.88303478    -10.99869185
  H     18.47780749      7.71078410     -8.50908248
  O     19.16251075      6.72774896    -11.84848375
  H     15.13783650     10.30382721    -12.11716107
  H     11.92290329     11.94383025    -16.64780833
  O     18.24829991     12.69838737    -12.01150489
  H     16.72987916     12.21289940    -16.67331590
  H     12.62302123     10.94630121    -15.69512177
  O     18.91937436      9.16483571    -13.22326323
  H     17.73030928     13.35174359    -16.97712490
  H     14.49117063      8.60316008    -11.19096904
  O     18.19272941      7.89338391     -9.40040155
  H     17.92151968      5.53621564    -12.16774894
  H     13.14554079      8.02572648    -11.61709435
  O     12.71318722     11.81303356    -16.12976819
  H     17.49199298      4.05844703    -12.33845944
  H     12.09234945     12.35183578    -10.75990512
  O     14.05044766      7.76708947    -11.39341439
  H     14.45011783     11.51657590    -16.87915410
  H     12.82359574     12.24185753    -12.11610204
  O     12.61951189     11.76296486    -11.29330928
  H     15.40963996     10.37539369    -17.31017146
  H     12.97148216      8.62260425    -15.21280999
  O     12.80139338      9.46979633    -14.77692346
  H     16.32220180      8.11978477    -18.06686414
  H     13.64541454      9.75886490    -14.39790275
          69
 Energy    -250.25919352787315     
  O     10.95828580     10.41326208    -16.47199147
  H     10.06689461     10.57617462    -16.17590440
  H     14.32704107     11.10089707    -13.32307816
  O     13.76923295      9.06304231    -20.24341971
  H     11.39584223      9.88519110    -15.78051453
  H     17.43325654     10.10339908    -15.25799531
  O     12.24895090      6.21157328    -16.92351159
  H     13.44266128      8.89556155    -21.12323749
  H     17.09298871      8.80309902    -14.45381435
  O     13.43550748      8.60814938    -10.69401568
  H     13.03591948      8.87066422    -19.62909313
  H     15.50254840      6.41389772    -10.73949995
  O     14.64925229     12.58426777    -14.50190834
  H     13.14693985      5.86531261    -16.98599053
  H     16.54567806      6.97949064     -9.74324143
  O     17.33077819     11.82221594    -18.33379197
  H     12.01292091      6.15069977    -15.99025437
  H     13.99153846     10.73184888    -16.70006940
  O     14.80411836     11.54502515    -19.28183167
  H     13.60026040      9.29838095    -11.34862298
  H     12.56445407     11.33671175    -16.76018649
  O     14.54435377      5.15581765    -11.49964895
  H     14.30151583      8.24600303    -10.46730904
  H     15.39538279      4.67112181    -17.35220990
  O     11.86731875      8.50231548    -18.43916596
  H     14.41904180     13.49575817    -14.33707545
  H     15.25878687      6.19154319    -17.58630834
  O     14.74357782      9.12866224    -16.35583206
  H     14.19718660     12.32476340    -15.32213042
  H     15.41337504      8.98755843    -13.00214332
  O     15.50313727      7.60242722    -18.59480077
  H     16.44205899     11.74700387    -18.72285703
  H     16.17655932      7.94573563    -12.14527539
  O     14.08357544     10.26129493    -12.91769053
  H     17.82779621     12.40819767    -18.89897797
  H     11.28007312      6.27053530    -10.59614946
  O     17.34970947      9.13815145    -15.32161594
  H     14.25690016     11.70265851    -18.50146054
  H     12.41081799      7.22436537    -11.04820854
  O     15.94087565      7.22942677    -10.43592622
  H     14.47021436     10.73356922    -19.68319365
  H     15.06316777      5.81583230    -15.12392220
  O     13.50163878     11.56627330    -16.78581382
  H     13.62021637      5.40552988    -11.37532648
  H     15.32930795      6.78003369    -13.91749815
  O     15.04346759      5.47127889    -16.96948058
  H     14.71434605      5.23866693    -12.44810768
  H     17.79981121      8.91397287    -17.11247769
  O     16.05638112      8.26593951    -13.04733388
  H     11.94448535      7.67912974    -17.93366259
  H     17.72315058      9.93711643    -18.25382650
  O     11.94922920      6.39431693    -11.26383064
  H     11.45139433      9.14677237    -17.85864415
  H     13.27251492      8.90319012    -15.34499238
  O     14.88096394      5.96741242    -14.18869252
  H     15.62307596      9.18076718    -15.95942538
  H     12.27768884      8.05866237    -14.49094871
  O     17.78094280      8.99048912    -18.07748243
  H     14.84582162      8.60886902    -17.16156578
  H     13.09079411      6.15167786    -14.11308071
  O     12.49829295      8.95887484    -14.76258213
  H     16.35813282      8.05699487    -18.51997365
  H     11.90774069      6.29039578    -13.12788310
  O     12.13779895      6.32768863    -14.06411303
  H     14.98351815      8.03854501    -19.28004854
  H     17.27064088     11.95567698    -16.43511291
  O     17.27605344     11.85678000    -15.47340526
  H     13.43704904      9.84931149    -13.51078743
  H     16.43639037     12.19746830    -15.14585094
          69
 Energy    -250.25917544068221     
  O     -4.43638504      1.48868610      2.22510232
  H     -4.15626792      0.99011352      3.01240138
  H      2.38213300     -1.21538515      2.13450064
  O     -1.82956902     -2.97652329      7.37335032
  H     -4.78857833      2.31805985      2.53734793
  H     -1.59539352     -0.57856309      1.24561493
  O     -0.75951492      0.20435665      4.05795573
  H     -1.37204509     -3.00679310      8.20931567
  H     -1.71026900     -2.05636771      1.72302451
  O     -3.52307069     -0.04841492      4.28128301
  H     -1.18557143     -2.66616334      6.71238034
  H     -1.99359603     -4.00950623      2.20887585
  O      2.37666194     -2.74826193      4.67006280
  H     -0.92552305     -0.36885579      3.28912739
  H     -3.33993601     -3.28777606      1.94255824
  O     -2.83943108     -4.96026870      5.59345264
  H     -0.10284158      0.83852491      3.75027504
  H      1.19730177     -2.08847679      0.11633745
  O     -0.17671983     -2.17263513      5.37908141
  H     -2.57132246      0.11793882      4.30675100
  H      0.43177695     -1.90619515      1.42771464
  O     -5.28306857     -3.89871120      5.13183254
  H     -3.77046905     -0.48004487      5.11269964
  H     -4.90542856     -2.91138267      3.63401893
  O     -2.47448434      0.77655541      0.30640926
  H      2.62959644     -1.98009830      4.13458790
  H     -4.12770651     -1.59644661      3.36572345
  O      1.66896216     -4.58005932      2.51625558
  H      2.30251294     -3.48254905      4.05101030
  H     -0.38238576     -1.85290212     -1.35910815
  O     -1.93565430     -2.63433446     -1.09277029
  H     -2.48981020     -4.40872565      6.30555188
  H      0.72864293     -1.51288657     -2.37863832
  O      2.78286281     -0.69801200      2.84524772
  H     -2.18357939     -4.91987695      4.88572993
  H      0.88560395      1.48412006      1.65325579
  O     -1.21243581     -1.23755186      1.83849187
  H     -0.34045420     -1.29056263      5.02303106
  H      1.55105338      2.54117879      2.55946976
  O     -2.54721108     -3.63537013      1.50854546
  H      0.76287068     -2.37113733      5.24295600
  H     -0.68358299      1.17698026      0.04761112
  O      1.24260914     -2.28706038      1.05881646
  H     -4.43720353     -4.36039910      5.27801967
  H      0.46480591      0.32362142     -0.50260372
  O     -4.54999033     -2.35051814      2.93264860
  H     -5.97639635     -4.50987539      5.36392838
  H     -4.71349634     -0.87195783     -0.59592819
  O      0.47612922     -1.40468020     -1.46573845
  H     -3.10764386      1.12316995      0.94770938
  H     -4.64596452     -0.65356873     -2.12592340
  O      1.16275630      1.66996199      2.56753138
  H     -2.98506465      0.30381041     -0.36328018
  H     -4.67386614     -2.33084462      6.10441931
  O      0.28126984      1.10815440      0.02620273
  H      2.19374351     -5.21720437      2.03885305
  H     -3.38000334     -1.99813770      6.86332290
  O     -4.10781687     -0.82309616     -1.35743721
  H      1.56339886     -3.80872300      1.93304419
  H     -0.71116987     -3.52999293      4.20469228
  O     -4.15025334     -1.59463670      6.44333602
  H     -2.13432784     -3.13288717     -0.28976457
  H     -0.03362709     -4.57278287      3.29057081
  O     -0.88797911     -4.30289416      3.64976831
  H     -2.71357349     -2.08896476     -1.26393532
  H     -5.39178426      0.08066508      1.30480580
  O     -5.60741212     -0.76407043      0.89090257
  H      2.32709128      0.15080000      2.82696348
  H     -5.37906242     -1.43192015      1.55202725
          69
 Energy    -250.25750006806805     
  O     15.55867023      8.92695882     -8.38971850
  H     15.83044320      8.71128038     -7.50225484
  H     16.41940540      6.28314183    -14.75479011
  O     11.93967002      6.95773516    -11.99297443
  H     16.19725142      8.50218028     -8.99222853
  H     14.31737325      8.63654215    -11.59469499
  O     17.36584956      9.77141765    -12.16420438
  H     12.30785902      7.34618213    -11.19049576
  H     15.59976350      9.20530318    -12.28803024
  O     17.74333359      9.21568301    -14.82923496
  H     12.60281420      6.32804735    -12.31379346
  H     12.85801279      9.28195751     -9.94117503
  O     16.44698870     12.38237813    -11.73436077
  H     17.63142302      9.63650275    -13.08465566
  H     14.02877809      8.46879798     -9.35166767
  O     15.38467465     10.20903265    -15.89642070
  H     17.17661938     10.71076668    -12.04526481
  H     14.84548623      5.39758608    -12.42726698
  O     14.77394013     12.19338875    -14.07561433
  H     18.36406675      9.14058054    -15.56359486
  H     14.22486837      5.34589932    -13.83365722
  O     15.93229973      6.26304566    -18.16278393
  H     16.92522598      9.58747971    -15.19133238
  H     13.42799361     10.25810465    -12.67874774
  O     11.06672305      8.71201281    -13.83455855
  H     15.95322453     12.10517636    -10.94166669
  H     11.97622517     10.23893537    -13.19486145
  O     13.64487977      8.29170926    -14.88697606
  H     16.91450118     13.18028705    -11.50096102
  H     16.98964830      5.87979885    -12.69355810
  O     14.85573006      5.93660106    -15.57736087
  H     15.21052445     10.99729189    -15.36235881
  H     17.13471454      4.72027405    -11.68403675
  O     17.26550432      6.48858363    -14.32842799
  H     14.71294816      9.55784296    -15.65080047
  H     18.21505406      6.04207884    -15.94694507
  O     14.67938528      8.95692361    -12.43001189
  H     13.92237676     11.92352978    -13.71034245
  H     17.67710390      5.98632480    -17.38568389
  O     13.30816175      8.42870239     -9.99336298
  H     15.35504532     12.32110171    -13.31598269
  H     17.41111220      8.50753566    -10.85123943
  O     14.00475903      5.33287538    -12.89448255
  H     16.06843971      7.22712927    -18.19896919
  H     17.01498662      7.02093927    -10.68734764
  O     12.63554198     10.80984735    -12.78038117
  H     15.65193501      5.99221962    -19.03282064
  H     17.43736441      8.97758766    -17.93853984
  O     16.70151463      5.56001840    -11.82128031
  H     11.31902948      8.05462969    -13.15769186
  H     16.05204398      9.47576056    -17.47909497
  O     18.49019143      6.07699029    -16.87232206
  H     10.18142996      8.49711624    -14.11274355
  H     14.11121520     11.46119340     -9.67675878
  O     17.19869704      7.82951439    -10.19420923
  H     12.69943995      8.40545494    -14.73935334
  H     15.31068728     10.67083692     -9.12241776
  O     16.49475040      8.92210538    -18.13660492
  H     14.06273868      8.39204918    -14.01590720
  H     20.07266551      8.81341599    -17.54666258
  O     15.07098385     11.48587923     -9.58034774
  H     15.12850850      5.94333624    -16.50287715
  H     19.05809402      7.72792528    -17.11078236
  O     19.20472469      8.68886206    -17.17337022
  H     14.36118691      6.75695369    -15.42432197
  H     11.49485127     11.54331113     -9.83782889
  O     12.29659451     11.09295946    -10.08935161
  H     17.42486988      7.43408539    -14.44868220
  H     12.33344639     11.09904140    -11.06140502
          69
 Energy    -250.25703213981149     
  O      4.86317977     -4.60833604      0.46116077
  H      4.45085778     -4.10966574      1.19163932
  H      2.83067146     -7.34878375      2.49148766
  O     -1.78723541     -3.81995986     -1.40324231
  H      5.79440398     -4.40651674      0.47927328
  H      1.25394773     -7.75346396     -3.84375141
  O      0.74626981     -5.89877761      0.26124242
  H     -0.93607923     -4.09557916     -1.78315273
  H      1.66629438     -7.85938326     -2.35713960
  O      2.06933099     -8.16435444      5.97550179
  H     -2.29587260     -3.44617647     -2.11930479
  H     -2.86067245     -6.55871306      5.84029052
  O     -2.78033285     -6.10953478      0.09408774
  H      0.13650799     -6.60164553      0.00596119
  H     -2.11708092     -6.61530213      4.48941275
  O     -0.89276653     -7.86852588     -1.00103464
  H      0.81867019     -5.32887133     -0.51521143
  H     -0.56137070     -2.96984792      1.43417411
  O      2.89132921     -3.42781817     -1.27011071
  H      2.87480223     -8.46003949      6.39208384
  H     -1.10331710     -2.73242766      0.00946377
  O      2.02258989     -4.78221778      4.16698841
  H      2.29297158     -7.95312972      5.05364062
  H      0.35672232     -8.96578845      5.65274926
  O      2.46338519     -8.76909425     -1.09247977
  H     -2.27969281     -6.80218774     -0.35837074
  H     -1.08396203     -8.44276612      5.46868681
  O      3.28825220     -6.87801892      0.79306331
  H     -2.53969532     -5.29051128     -0.35440980
  H      0.61080890     -4.43803545      3.08937075
  O      0.55091307     -5.73152271      6.28964425
  H     -0.35169707     -7.72811875     -1.78815466
  H      0.22958319     -4.91719304      1.66164879
  O      2.33227694     -7.46479161      3.31118777
  H     -0.57928385     -8.68409992     -0.58939183
  H      0.90751208     -5.52527875     -2.61989555
  O      1.10210600     -7.37092919     -2.98353302
  H      2.59873245     -2.72579751     -0.67365033
  H      1.52164447     -4.19135645     -2.05149273
  O     -2.01962956     -6.77217007      5.44328023
  H      3.62118432     -3.86568446     -0.81806946
  H     -2.44299011     -6.30436426      1.85719930
  O     -0.62941493     -2.30598688      0.73226621
  H      2.21349982     -5.66941665      3.83333095
  H     -1.38322093     -5.59679004      2.72726448
  O     -0.50132622     -9.18805540      5.26926392
  H      1.53686452     -4.91890220      4.99336800
  H     -0.83871063     -7.76318629      2.58083512
  O     -0.09366078     -4.42096158      2.42994982
  H      1.83614531     -9.28654007     -0.57296610
  H     -0.32332187     -8.87945375      3.53003240
  O      0.69419316     -4.65815886     -2.25344851
  H      2.91416394     -8.19111825     -0.46157450
  H      1.01769510     -1.77517614      0.67327858
  O     -2.00468666     -6.34083161      2.71908866
  H      3.92787613     -6.16777812      0.65801895
  H      2.03422419     -0.61145621      0.67193104
  O     -0.20208492     -8.48622583      2.65204366
  H      2.41129606     -6.50088336      0.61991025
  H      2.94765093     -2.63166882      1.91064871
  O      1.96750132     -1.56269451      0.66199178
  H     -0.34551049     -6.00026633      6.05566821
  H      3.05044190     -3.66841643      3.06843713
  O      3.54866330     -3.23683856      2.36276810
  H      1.05897473     -6.54970219      6.35910953
  H      0.15755535     -9.48592306      1.25593800
  O      0.32875759     -9.96152090      0.42459950
  H      1.45430329     -7.78073099      3.05498092
  H      0.11146665    -10.87663817      0.58308232
          69
 Energy    -250.25646805494992     
  O     17.17387818     15.55021190    -16.01700435
  H     16.77311671     16.23308802    -16.54793894
  H     19.13308382      9.99169499    -10.22542225
  O     20.28901148      9.93902411    -15.81077584
  H     17.98540873     15.27073523    -16.48354414
  H     21.49683156     16.57607356    -12.30148360
  O     19.57398734     13.09639557    -10.06628729
  H     20.64019028     10.64360396    -15.24014104
  H     19.95811813     16.60084960    -12.39208118
  O     15.20079320     12.75256193    -11.76972291
  H     21.03036700      9.58800840    -16.29937317
  H     20.86971939     12.15682503    -10.94071683
  O     20.42962443      9.07467289    -11.26648849
  H     18.90424976     13.44174004    -10.67496921
  H     21.31528495     10.72101755    -11.31171917
  O     15.91032028     10.28230746    -10.52546983
  H     20.06304153     13.85745982     -9.73125757
  H     15.76454525     10.26397364    -13.69468341
  O     18.80386104     11.91676088    -17.37396594
  H     15.99181444     13.30658280    -11.73629772
  H     16.24162450      9.83187008    -12.29139081
  O     21.06366593     14.61797365    -14.81149728
  H     15.39358377     11.97573515    -11.22922455
  H     19.32289487     13.67969219    -17.31620200
  O     21.11588218     15.36409357     -9.49997888
  H     19.94787401      8.91065100    -12.09641710
  H     20.13131348     14.66686710    -16.43685461
  O     20.86757687     11.96331143    -14.04674547
  H     20.79395471      8.23706135    -10.99216055
  H     23.87865498     16.14699959    -13.31035608
  O     14.56617419     11.73595441    -14.20022540
  H     16.82723276     10.37459606    -10.20792591
  H     23.12040644     15.10445168    -12.45293544
  O     18.47237951     10.53892073     -9.78470443
  H     15.43036899      9.81619662     -9.84653437
  H     19.58348551     15.39530698    -14.07000923
  O     20.69729073     16.75751073    -11.79123220
  H     17.94669790     12.07145885    -16.95476195
  H     18.15880554     15.88004159    -14.40669206
  O     21.56535972     11.65025500    -11.38697493
  H     19.21332926     11.18801135    -16.89607877
  H     22.73422926     13.11708915    -11.20029985
  O     16.44911874      9.76403698    -13.23412123
  H     21.06854953     13.67665924    -14.58735562
  H     22.52863711     14.43778970    -10.43233384
  O     19.44590060     14.61921118    -17.11564097
  H     21.80787479     15.02432078    -14.35125835
  H     19.38343521      9.01966664    -14.38895908
  O     23.01853600     15.76339993    -13.16312244
  H     20.90690537     15.91110505    -10.27886309
  H     18.09358488      8.86589032    -13.54028306
  O     18.80494485     15.83300646    -13.69282751
  H     21.19778776     15.95863218     -8.75939767
  H     17.70605620     11.12651113    -13.49757905
  O     23.08657831     14.01019902    -11.09441166
  H     19.90191447     11.96432670    -13.93921725
  H     17.70229825     12.28042717    -14.53282234
  O     19.03739559      8.66352356    -13.56141328
  H     21.23754648     11.85526284    -13.16139156
  H     15.78234966     12.51475939    -15.37786141
  O     18.16462556     11.93449733    -13.75623593
  H     14.73689389     12.16418074    -13.34136884
  H     16.61435168     13.75646371    -15.86693465
  O     16.58340318     12.79108611    -15.84096000
  H     13.61962697     11.66925629    -14.29256506
  H     17.88682854     13.19083205    -12.53812164
  O     17.74709516     13.94692247    -11.94678083
  H     18.84328974     11.42999139     -9.73367746
  H     18.04986882     14.71651044    -12.44538834
          69
 Energy    -250.25542653800858     
  O     19.19824623      9.73622914    -12.27192513
  H     18.77767854     10.54734515    -12.57919827
  H     12.96970049      7.34339376    -11.50458080
  O     15.77460843      6.10578130    -15.68571256
  H     18.74587721      9.51219391    -11.44782377
  H     16.28556870      9.19396567    -13.41481702
  O     13.26943280      8.62754846    -12.69281479
  H     14.97294749      6.63823033    -15.57140106
  H     16.51831626      8.93748533    -11.88039291
  O     11.74356306      4.61404304    -12.40675563
  H     16.45715468      6.68762351    -16.03983975
  H     19.26284019      8.29025756    -13.39400957
  O     16.63318926     10.06664207    -15.01691350
  H     14.23640072      8.66888796    -12.61288362
  H     18.55030640      6.92116831    -13.55093259
  O     17.89379976      7.91782898    -16.31987486
  H     12.97091313      9.52814816    -12.86504936
  H     12.20695339     11.97898879    -13.30317875
  O     14.17123877      8.27753773     -8.89303828
  H     11.97790599      5.32899868    -11.80046161
  H     13.65157575     11.60562449    -12.89184618
  O     14.10429990      2.97333204    -12.37227670
  H     12.43832176      3.95171691    -12.30671701
  H     15.12114074     11.56669610    -11.07419962
  O     17.59141671     11.92613898    -13.28395141
  H     15.72884176     10.15253992    -15.35651696
  H     15.93993592     12.01043703    -12.31522198
  O     11.72109980      5.17055152    -15.06317300
  H     17.08519239      9.39598898    -15.54202909
  H     12.72959656      6.72279689    -15.26670557
  O     14.25844549      3.83801059    -14.94508047
  H     18.48428819      7.89420706    -17.06780924
  H     13.29915735      7.80397723    -14.31861878
  O     12.94545707      6.63243771    -10.84505807
  H     18.43691721      7.76472059    -15.52372748
  H     13.55477666     10.60904914    -15.05591180
  O     15.98397402      8.69309432    -12.64577696
  H     14.94417230      7.71103222     -8.77897918
  H     13.71147017      9.24113756    -15.75917574
  O     19.16255240      7.52829766    -13.98335276
  H     13.57461123      7.77575800     -9.46262303
  H     14.75988793      9.88688840     -9.22533967
  O     12.87739222     11.30911738    -13.40412407
  H     14.18229619      2.02341696    -12.34892488
  H     15.14669914     11.24903869     -8.60567045
  O     15.05109267     11.98360138    -11.94182174
  H     14.23339135      3.24177153    -13.30025331
  H     16.49105725      5.94820073    -13.99325225
  O     13.36401732      7.44849799    -15.21676069
  H     17.28668854     11.33519321    -13.99517152
  H     16.53670721      7.04093540    -12.91459104
  O     14.02102067     10.15654776    -15.77031759
  H     17.96197314     12.69636686    -13.70849683
  H     16.75528459      9.72240379     -9.86276274
  O     15.24443052     10.71558485     -9.39063163
  H     10.89247764      4.90837721    -15.45478413
  H     17.18315796      8.23072464     -9.82585118
  O     16.81974493      6.13227980    -13.10341239
  H     11.64531109      5.00484730    -14.10610223
  H     16.96841443      6.08418966     -8.43638656
  O     17.37647803      9.08323345    -10.23598247
  H     14.88142842      4.48606718    -15.29739564
  H     16.12471942      6.02188665     -9.72785434
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  H     13.38129580      4.20453469    -15.11440825
  H     15.91924914      5.41862112    -11.77867721
  O     15.35586942      5.10824895    -11.05212895
  H     13.77204544      6.13777417    -10.93273753
  H     14.94838381      4.29124598    -11.36383370
          69
 Energy    -250.25464823565562     
  O     -5.54059433     -0.63772551     -0.09389930
  H     -4.82591593     -0.95553113     -0.66470873
  H     -0.23397788      1.41375148      3.25111946
  O     -5.85448867      2.93702872     -3.39512996
  H     -5.50902697     -1.18385710      0.70150442
  H     -2.12596735      4.13101087      2.15774008
  O     -5.02581560     -2.12465365      2.23662438
  H     -6.16434082      2.07990303     -3.05040250
  H     -1.38290056      3.35922532      3.25795357
  O      0.76386762     -0.73444370     -0.18634398
  H     -6.61147570      3.36593574     -3.78505058
  H     -4.98108821      2.10295199      1.62341297
  O     -1.45392780      0.17313635     -1.63756596
  H     -4.63359358     -1.44122621      2.80904932
  H     -5.25671117      1.03848669      0.48664351
  O     -3.69129835      1.54948285     -4.71280990
  H     -5.55061169     -2.68766966      2.79930287
  H      0.93132833      2.17688798      1.45175947
  O     -3.46468645     -1.67324077     -1.69055728
  H      1.05598973      0.13526198      0.12300283
  H      0.94263955      2.51244191     -0.06410037
  O     -1.90130783      2.60700820     -2.93427630
  H      0.10476782     -0.55078705     -0.86755280
  H     -2.65371436      4.17327029     -0.25048326
  O     -4.03332022      3.56845591     -1.35104764
  H     -1.65891403      0.52393752     -0.75676498
  H     -1.10087358      4.18751961     -0.24685755
  O      0.20083828      3.65018377     -1.47818655
  H     -1.53756700      0.92601762     -2.23366419
  H     -4.75290854     -1.85242193     -4.62874280
  O     -0.29267081     -2.37868222      1.65300877
  H     -3.95261765      0.63011855     -4.58149772
  H     -4.22765219     -1.39246317     -3.25025936
  O      0.19319251      2.28637217      3.29191510
  H     -4.44110211      2.07645943     -4.40826363
  H     -1.55313977      0.42200850      2.07472402
  O     -2.21710237      3.80322631      3.06335667
  H     -2.72953760     -1.04459758     -1.74240371
  H     -0.85780457     -0.88090002      2.55833903
  O     -4.92458629      1.92741843      0.67593839
  H     -3.24875839     -2.29331866     -0.97857001
  H     -2.00995566     -2.86774046      0.97461811
  O      1.26987213      1.89108262      0.59620843
  H     -2.37212118      2.25203289     -3.70238635
  H     -3.54010033     -2.81982558      1.22315030
  O     -1.87728299      4.19305928      0.32661283
  H     -2.59357561      2.93487877     -2.34251144
  H     -1.91411542      2.29379077      0.68123699
  O     -4.67541092     -1.09097096     -4.05966659
  H     -4.40072113      3.01825632     -0.64245121
  H     -3.17145958      1.41558410      0.72349121
  O     -1.20672119     -0.03307066      2.86001646
  H     -4.66806407      3.51709732     -2.07646441
  H     -3.74624859      3.00508661      3.31696416
  O     -2.86680836     -3.06181470      0.57590881
  H      0.80990459      4.15494640     -2.01203844
  H     -5.13497021      3.06260135      3.99387601
  O     -2.20635496      1.37525566      0.72428278
  H     -0.45043112      3.26697093     -2.08944930
  H     -6.01750402     -0.12392984     -3.13665419
  O     -4.59898977      2.54157433      3.40181125
  H      0.13704684     -1.83435948      0.96650007
  H     -6.39696578      0.09322460     -1.66158128
  O     -6.52995372      0.44707585     -2.54879417
  H      0.32578677     -3.06588617      1.88525918
  H     -4.15748483      0.73199346      3.70625338
  O     -3.86997120     -0.18841399      3.71777998
  H      0.83138482      2.24576629      4.00038142
  H     -2.91615397     -0.17325958      3.56156839
          69
 Energy    -250.25430235959766     
  O     14.58082960     10.05775605    -15.16373950
  H     14.10601892      9.54174863    -14.50053651
  H     15.90893938      3.03920651    -17.86690027
  O     14.22033054      5.47002280    -16.81591982
  H     14.70035311      9.46632248    -15.91937856
  H     19.41946024      4.91522769    -14.98820234
  O     17.76628666      6.52837599    -11.56436247
  H     14.39699674      6.39406866    -17.03247869
  H     20.25687042      6.01046161    -14.27936559
  O     20.47766404      6.04127903    -17.59038546
  H     14.01053013      5.45526025    -15.87169321
  H     18.49254809      8.54922142    -17.72567664
  O     17.93616382      5.68035200    -18.86271871
  H     17.27556696      7.27491556    -11.94586791
  H     19.67665151      7.67676260    -17.23800364
  O     13.23579459      7.34972696    -10.44133163
  H     18.66582255      6.64940467    -11.88718006
  H     17.35700655      6.21254231    -15.29469797
  O     13.92983483      5.60755858    -14.04144947
  H     21.33665722      5.82341310    -17.94110981
  H     17.90422436      7.57330190    -15.82178015
  O     16.55007330      8.46360119    -12.99579639
  H     20.47449294      5.76143569    -16.65671730
  H     13.95308638      3.87657839    -10.97376896
  O     17.68807287      4.40652603    -15.15164289
  H     17.39222740      5.01559906    -18.42373017
  H     14.58293158      2.66580787    -10.24091490
  O     12.63706207      4.81291934    -11.64639530
  H     18.80717639      5.65606179    -18.44726935
  H     20.96409660      7.59051264    -12.50268138
  O     19.42617423      9.53521993    -14.45477795
  H     14.09464655      6.98189139    -10.16718818
  H     19.86464637      8.14000779    -13.43214392
  O     16.24807405      3.84029996    -17.47729750
  H     12.85955472      7.76851166     -9.67166444
  H     16.82028050      5.18764742    -12.38123585
  O     20.27429901      5.37048331    -15.00014684
  H     14.75582263      5.28371337    -13.65785841
  H     15.82324194      4.03067374    -12.11379826
  O     19.10720328      8.41853010    -16.99278135
  H     13.84587524      6.53948792    -13.79402864
  H     16.42363438      6.28726996    -10.21653050
  O     17.18418478      7.16118853    -15.32715309
  H     16.72279617      9.39591741    -13.17094138
  H     15.39027563      5.18358969     -9.92108667
  O     14.79246020      3.49844670    -10.65407867
  H     16.78605857      7.99018201    -13.81061783
  H     15.76754802      8.25496620    -17.85006578
  O     20.14538511      7.35357204    -12.93269874
  H     17.19139152      4.08282927    -15.91348955
  H     15.83502102      7.72195948    -16.40706816
  O     16.26099579      4.52749106    -12.81551245
  H     17.15707655      4.27380054    -14.35338738
  H     13.49365030      8.04595113    -12.17790557
  O     15.58441920      6.11751845     -9.77105089
  H     12.89294113      4.98998914    -12.56178477
  H     14.77789681      8.32238395    -12.98709528
  O     15.22854848      8.09434858    -17.06644550
  H     12.65829165      5.67070247    -11.20366684
  H     16.09994303     10.72243947    -14.55659038
  O     13.81542962      8.23086617    -13.06863688
  H     19.43583382      9.27569178    -15.38663078
  H     16.83282124     11.90178759    -13.88058608
  O     16.92764336     10.98178895    -14.11241211
  H     18.65219248     10.10029113    -14.35158790
  H     17.18647663      8.54616918    -20.00049731
  O     17.19871003      8.27042683    -19.08821751
  H     15.47818232      4.40399318    -17.27538417
  H     17.41588536      7.31947100    -19.08217211
          69
 Energy    -250.25425086507067     
  O     15.79642826      5.58114423     -8.97683083
  H     14.96946611      5.10326291     -9.11612403
  H     12.83509331      7.67325141    -13.25422060
  O     13.48533088      7.62482792    -16.23525130
  H     16.37398775      5.37885862     -9.72378234
  H     16.13342049      9.77116619    -13.25014858
  O     16.49353221      9.34207471    -14.98048151
  H     13.61863531      8.57090330    -16.35943292
  H     15.27732566     10.36720218    -12.06207479
  O     10.71594783      5.77843395    -12.25531422
  H     12.88231629      7.54845463    -15.48227862
  H     13.84144355      7.83218288    -11.20759741
  O     19.66955412      5.37701331    -12.98925673
  H     16.26790402      8.40186318    -15.05618693
  H     14.86862889      8.31670817    -12.24471117
  O     12.94735858      3.93989833    -12.03212303
  H     17.45753719      9.40017369    -14.99561012
  H     13.20577301      4.10205129    -10.32234184
  O     17.59901026      8.31359940    -10.62655442
  H     10.98939924      6.11790994    -11.38392434
  H     13.04530378      3.53047098     -8.89410919
  O     13.66052546     11.07300472    -11.41606732
  H      9.81323151      5.48506595    -12.16419367
  H     20.02292157      9.65711873    -15.15962122
  O     18.65707050      6.37530961    -15.30116258
  H     20.33286799      4.71706074    -13.17100378
  H     19.47973958      8.88670449    -13.93343049
  O     14.22073079     10.44017877    -16.08009775
  H     19.30158732      5.65045252    -13.84898794
  H     16.05065295      5.21372128    -12.39870882
  O     12.53918364     10.42747975    -13.77846305
  H     12.20486099      4.50082816    -12.28560914
  H     14.80510508      6.08483532    -12.60850700
  O     12.04890637      7.67131433    -13.82146157
  H     13.73327095      4.28784435    -12.47570699
  H     15.03476774      6.86534770    -15.72547649
  O     16.00017843      9.77062019    -12.29287348
  H     17.13563286      8.34205193     -9.78201861
  H     15.65314503      6.09147811    -14.52279865
  O     14.19711391      7.64237951    -12.08382251
  H     17.08831798      8.87860747    -11.22634144
  H     19.15851386      8.29922289    -11.66860953
  O     13.31513150      4.30771206     -9.37652506
  H     13.19166884     10.86666547    -12.24592300
  H     19.89788922      7.22446067    -12.49172740
  O     19.26682688      9.17221138    -14.84036635
  H     13.44678948     11.97621438    -11.19801665
  H     12.15000567      7.41136364     -9.64962608
  O     15.24576224      5.28119535    -12.92858441
  H     17.69651949      6.37253523    -15.41450421
  H     12.22793945      5.86820669     -9.54671395
  O     15.86773827      6.65489341    -15.27814760
  H     18.92168372      7.30234277    -15.31231965
  H     17.49709023      6.51450574    -11.08089183
  O     19.80700928      8.17837790    -12.37448916
  H     15.07752227     10.12841400    -15.74386531
  H     18.24849087      5.36486879    -11.78954563
  O     11.66619541      6.59772148     -9.83846894
  H     14.40795337     11.01572479    -16.81750838
  H     16.09654901      8.31262463     -7.45278256
  O     17.46361623      5.56431374    -11.26473238
  H     12.18695430      9.52761664    -13.81187467
  H     15.82011053      7.22751794     -8.52299489
  O     15.86247781      8.19066898     -8.36904803
  H     13.05617286     10.53738137    -14.58577839
  H     13.46718040      9.62611703    -10.15224855
  O     13.41946980      8.79674047     -9.66025731
  H     11.44605469      7.03737013    -13.41649279
  H     14.24793257      8.69226241     -9.17294675
          69
 Energy    -250.25338911744956     
  O     12.23978753     10.36585907    -10.79632483
  H     11.95454440     11.27514977    -10.76061150
  H     13.47136162      3.18076524    -11.22586074
  O     10.50013871      4.57177636    -10.10821664
  H     12.26341738     10.11661687    -11.73911721
  H     15.84454780      6.00405931    -13.84199862
  O     17.15062433      5.31039241    -12.83772875
  H     10.03677763      5.12120608    -10.75198914
  H     15.10698261      7.36410612    -13.99542098
  O     14.04211599      5.17085658    -16.43228943
  H     11.17354209      4.07170157    -10.58853585
  H     13.81151513      6.07088160    -13.03661601
  O     15.23094508      3.02049126    -10.81382292
  H     17.09493008      4.37020086    -13.04987092
  H     12.32576728      6.44700999    -12.82273116
  O     11.54745881      6.25940294     -8.28225300
  H     16.88180906      5.39871671    -11.91152417
  H     10.85477877      7.73977660     -9.29255679
  O     15.27159258      8.95625610    -13.18403274
  H     14.37194083      5.54583899    -17.24458751
  H     11.07012306      8.99359892    -10.18494859
  O     11.39821189      4.97804494    -15.37687251
  H     14.43388523      5.68537531    -15.70480234
  H     17.83031182      7.14519280    -12.90826714
  O     17.35674154      8.33367181     -9.94423141
  H     15.70924996      2.79048668    -11.62078803
  H     17.86693248      8.21975931    -11.81177923
  O     14.46982092      2.74924087    -15.00930773
  H     15.69534424      3.77915059    -10.44318140
  H     13.09929727      6.45864137     -9.22740605
  O     11.82097075      2.47421471    -14.00648327
  H     11.36486127      5.99032111     -7.38660394
  H     13.49311367      6.41334911    -10.74030917
  O     12.61680650      3.45217204    -11.58942195
  H     11.14209073      5.59300270     -8.86765668
  H     17.10476732      1.85189416    -13.55597453
  O     15.09325927      6.43717198    -14.27186939
  H     15.03456702      9.02553094    -12.24988440
  H     15.82541640      2.63274091    -13.93799356
  O     13.08456506      6.02122804    -12.40376873
  H     16.22894059      8.80429145    -13.18862460
  H     16.88837028      6.42855992     -9.97588889
  O     10.44722193      8.28859427     -9.97358418
  H     12.23613213      5.06118100    -15.84931915
  H     15.45664119      5.88534655     -9.99205125
  O     17.87329876      8.09978042    -12.76982556
  H     11.43181197      4.11886193    -14.93994842
  H      9.61078011      7.26487836    -11.09530228
  O     13.82165851      6.60600511     -9.84813785
  H     17.80623750      8.84936999     -9.27906759
  H      8.27637303      6.72851445    -11.66862303
  O     16.57330657      2.60578854    -13.31465569
  H     16.47314803      8.72449308    -10.04763218
  H     13.95219660      9.69450180    -10.41883036
  O     16.37662233      5.63342397    -10.16472928
  H     13.57759832      2.54853384    -14.70151514
  H     14.40634041      8.24805682    -10.13895066
  O      9.22227523      6.61116564    -11.70572989
  H     14.37791230      3.50683482    -15.59977004
  H     13.38678722      9.37627899    -13.53846797
  O     14.73255028      9.12861489    -10.38250316
  H     11.24053063      1.72186958    -13.92530296
  H     11.95016867      8.77629754    -13.62128714
  O     12.45681654      9.55650599    -13.35769686
  H     12.06005434      2.74343402    -13.10307052
  H     10.28647100      6.99093305    -13.17351209
  O     11.00475468      7.17636643    -13.79212052
  H     12.75034235      4.35172903    -11.92650672
  H     11.05006619      6.44193094    -14.42441494
          69
 Energy    -250.25250439402362     
  O     13.80899077     11.78657413    -14.78127409
  H     14.55674532     11.61065599    -14.19373315
  H     14.86140668      5.01284657    -14.63957113
  O     12.35616253      5.32435717    -16.45694687
  H     13.90458690     11.17463063    -15.51956513
  H     14.61252528      8.17585665    -14.38378656
  O     14.49867467      7.07500511    -11.33160858
  H     11.86879839      4.92556605    -17.17271753
  H     14.58603042      9.37089273    -13.41025178
  O     17.23205561      6.67513537    -11.34833040
  H     12.23946671      6.28836945    -16.53923824
  H     14.60735032     10.13262094    -17.75221069
  O     11.87686661      4.85742368    -13.66875798
  H     13.67178962      7.16588451    -10.83356779
  H     14.87215753      9.14756293    -16.59296481
  O     11.85505373     11.18568475    -12.87928741
  H     14.38401337      7.56255963    -12.16403890
  H     12.07797391      8.65316802    -10.24757485
  O     12.06361139      8.00158923    -16.56010911
  H     17.61303834      7.46308782    -10.93486515
  H     11.44693636      7.36748440    -10.85531492
  O     17.92778732      9.18853293    -10.50010379
  H     16.27182306      6.75978599    -11.26090121
  H     12.21367276     10.82958857    -11.23737736
  O     11.39491285      8.64474525    -13.94264506
  H     12.75596603      4.62465909    -13.34641895
  H     11.95319096     11.16765730     -9.75121494
  O     17.28355824      4.06406361    -12.21067485
  H     11.96402852      4.98214132    -14.62171701
  H     15.43692625      4.28846802    -12.60380346
  O     17.79359986      4.88802545    -14.93658905
  H     12.47188944     11.53507239    -13.53719346
  H     14.48486382      5.45620998    -12.26497529
  O     15.00782368      5.16862467    -15.58347533
  H     11.49054267     10.38335169    -13.27503503
  H     10.90531304      5.94490894    -12.72866609
  O     14.17276647      8.51668338    -13.59592088
  H     12.72304265      8.66773522    -16.78279310
  H      9.51793746      6.29383434    -12.13924562
  O     14.25541052      9.82263415    -16.92059559
  H     11.68252380      8.27626147    -15.71382243
  H     14.96882598      8.86851490    -10.58322219
  O     12.12023615      7.68884319    -10.24179581
  H     17.05957809      9.55458833    -10.28909844
  H     14.22663601     10.17257987    -10.26819067
  O     12.41434249     10.55936481    -10.32261565
  H     18.20006491      9.60741133    -11.32558881
  H     16.54415276      7.82407248    -15.20237941
  O     14.58976393      4.68612524    -12.83943942
  H     12.34973354      8.58990306    -13.78129724
  H     15.49392595      6.88606416    -15.84298634
  O     10.40500125      6.62719492    -12.24559064
  H     10.97321051      7.99017026    -13.37372956
  H     15.53082921     10.59590762    -12.03481653
  O     15.11041420      9.80680352    -10.41290548
  H     17.73382869      3.45734162    -11.62826745
  H     16.64243656     10.62400627    -13.11660130
  O     15.76195692      7.81353037    -15.76894292
  H     17.38621362      4.95118975    -11.82555433
  H     19.19719158     10.43572273    -13.61837201
  O     15.70225558     10.78108696    -12.96823059
  H     17.71088843      4.45150147    -14.07942576
  H     18.34213455      9.14721402    -13.58600423
  O     18.41788731     10.04766590    -13.22833206
  H     16.91681038      4.84203178    -15.33887754
  H     18.03529872      6.61149945    -14.42588466
  O     17.90006232      7.46004991    -13.97891181
  H     14.13800271      5.12513729    -16.00094592
  H     17.63672736      7.23449064    -13.07623217
          69
 Energy    -250.25218815242761     
  O     17.09330034     11.64072025    -18.12872877
  H     17.22510790     11.01072767    -18.83249831
  H     16.36910003     13.47450313    -18.35704746
  O     18.76373954     17.62482140    -14.20528776
  H     17.95189091     12.06980740    -17.96970093
  H     19.21728778     13.98576616    -18.03190632
  O     20.17738475     11.16081645    -13.95987838
  H     18.50585081     17.96331310    -13.33589035
  H     18.87192669     13.39415313    -16.64644348
  O     16.07114194     15.81131932    -12.11031124
  H     17.98989102     17.13752933    -14.52537003
  H     13.37273304     13.55411501    -11.69498026
  O     14.45083488     15.50656741    -16.58284381
  H     19.32275488     10.72478127    -13.88587831
  H     14.10890109     13.56603302    -13.05718738
  O     16.55449858     12.07310659    -11.65040875
  H     20.07368732     11.98027960    -13.45334862
  H     21.41532324     15.86083649    -13.77016879
  O     14.04402288     13.35024264    -14.75621502
  H     16.22801958     15.91174845    -13.05992110
  H     20.10671347     16.64596498    -13.47322386
  O     21.49450493     12.70412495    -15.87546824
  H     15.35049315     15.17444451    -12.02514888
  H     17.31111354     14.87619827    -11.16839061
  O     22.19711383     15.25173739    -15.32133521
  H     13.79694393     16.03017285    -17.03776918
  H     18.65538993     14.96374776    -10.40861552
  O     17.88785814     17.98163137    -11.60179600
  H     15.02322770     15.11370044    -17.26625518
  H     16.55481507     11.01249442    -14.88671494
  O     19.54653549     13.62920464    -12.87570632
  H     15.71283874     12.52224947    -11.79756860
  H     16.40407185     11.46098421    -16.38900220
  O     16.15970284     14.41446328    -18.36929881
  H     17.09190423     12.70219675    -11.15429887
  H     20.80878706     16.24942620    -16.20179372
  O     19.26238908     13.17556699    -17.50959107
  H     14.68792028     12.68901197    -15.04617474
  H     19.64897613     17.19427520    -15.81463721
  O     14.22858979     13.67726405    -12.09622924
  H     14.09795428     14.07918746    -15.38480495
  H     20.39165707     16.27862048    -11.30519740
  O     20.80489315     16.11167761    -13.06502883
  H     20.83622268     12.76787611    -16.57878010
  H     20.68434292     16.58768400     -9.82080617
  O     17.97856055     14.34461993    -10.70723344
  H     21.13584859     12.06980783    -15.23864060
  H     17.33146437      9.37535738    -13.08486592
  O     16.11380718     11.63200954    -15.48425453
  H     21.97368001     14.31807282    -15.48728048
  H     17.14884500     10.87932276    -12.78715394
  O     20.05780085     16.73700575    -16.56026606
  H     23.11067120     15.36081344    -15.57199367
  H     18.50643973     13.60048564    -14.35200535
  O     19.98555577     16.35027983    -10.42531309
  H     17.15075608     17.35875545    -11.65382892
  H     17.29354204     13.00655129    -15.15216653
  O     17.43528971     10.24303361    -13.46751573
  H     18.55562375     17.54914934    -11.05702113
  H     19.16532860     16.10436651    -17.89861436
  O     17.96057822     13.70514585    -15.14300671
  H     20.05829576     14.44101840    -12.97617372
  H     18.98152502     16.15464200    -19.43151848
  O     18.72597481     15.66912952    -18.65170814
  H     18.98071445     13.76135022    -12.10475487
  H     17.09508835     15.23263818    -15.00281472
  O     16.59858829     16.05216675    -14.85239143
  H     16.99899654     14.88181882    -18.47054511
  H     15.82433131     16.01496167    -15.42432236
          69
 Energy    -250.25117321022520     
  O     12.14651530     10.40401023    -14.76178045
  H     12.28967961      9.59988787    -15.27895086
  H     15.29816017      5.53864430    -14.05475194
  O     15.99362332      6.78289679    -12.84756187
  H     12.80330012     11.04309307    -15.06046951
  H     18.66735356      7.97729386    -15.97880841
  O     17.82259647     10.80895766    -12.55092340
  H     15.72017990      7.49556943    -13.44829907
  H     20.17141725      7.71795447    -15.74075574
  O     16.29989717     10.47923272    -16.31017984
  H     15.51165631      6.93678341    -12.02430431
  H     14.95744530      9.63317331    -13.81781776
  O     12.06742927      5.77319238    -14.25760810
  H     18.01495171     11.07511712    -11.64314142
  H     14.28446798      8.59866034    -14.78660474
  O     15.80404723     10.47820801     -8.81197143
  H     17.98668727      9.85571817    -12.60267124
  H     11.64871726     10.10125718    -13.10794894
  O     14.53847678      7.55605526    -10.59631316
  H     15.97606302      9.82279325    -15.67372878
  H     10.52017171     10.24390030    -12.06173859
  O     15.14275378     11.28154969    -12.95134848
  H     17.17649569     10.75548167    -15.99988796
  H     18.69832715      8.20857193    -10.86339449
  O     14.93715855      6.39642080    -17.14837264
  H     11.31515832      5.18801268    -14.26463940
  H     18.66587269      9.37214054     -9.85074843
  O     16.42840098      7.68354961     -8.53623522
  H     12.06683151      6.22127289    -13.39194759
  H     12.91090108      7.14481347    -11.40751145
  O     17.32134637      7.95714983    -17.11125152
  H     15.93247302      9.55158314     -8.57393336
  H     11.79904607      8.04176513    -12.00259417
  O     14.80008956      5.11464598    -14.76663498
  H     15.03637056     10.50064784     -9.39835842
  H     19.14246561     10.04892940    -15.27156884
  O     19.39699312      8.11360847    -15.34910238
  H     15.12840370      7.47324986     -9.83709230
  H     18.54559299     11.05189257    -14.26767043
  O     15.11759243      8.85927485    -14.37333569
  H     14.33328257      8.49871271    -10.68036540
  H     17.63112744      7.52736526    -12.73308986
  O     11.39183402      9.88064392    -12.19529064
  H     16.10645084     11.21394908    -12.87280767
  H     18.83714458      8.02109357    -13.57787328
  O     18.64698517      8.40982315     -9.91940838
  H     14.92372265     11.78146758    -13.74550862
  H     18.59506868     11.92951559     -9.27191886
  O     12.11082436      7.13011836    -11.94866316
  H     14.95552659      5.88258485    -16.32035185
  H     17.32804508     11.05600173     -9.43807962
  O     18.76734355     10.93551087    -15.20166186
  H     14.82813406      5.76892691    -17.85862860
  H     12.91353840     10.18729630    -11.12577228
  O     18.42589724      8.07967568    -12.70672081
  H     16.66312184      7.15191698     -7.78078248
  H     14.31207636     10.69549218    -11.51904443
  O     18.20347154     11.25308448     -9.81742491
  H     17.25405920      7.86482599     -9.02076175
  H     15.00996126     11.63886662    -15.92633429
  O     13.82112430     10.25621340    -10.80745703
  H     16.54240547      7.38869326    -17.13523035
  H     14.28285524     13.00182920    -15.99151694
  O     14.31539057     12.17882600    -15.51091704
  H     16.98454261      8.86184940    -17.10685161
  H     13.54870792      7.51444125    -16.45343848
  O     12.91819936      7.92762312    -15.84962796
  H     13.86832819      5.20605601    -14.53025149
  H     12.52747536      7.20610487    -15.33698315
          69
 Energy    -250.24932530466236     
  O     19.87832428     11.92839510    -19.47295775
  H     20.13078515     11.43600388    -20.24886958
  H     19.28020810     13.79756633    -19.58323705
  O     18.29884368     17.86539913    -13.79707863
  H     20.69925829     12.13641812    -18.99016042
  H     20.56671956     15.17754916    -16.80027544
  O     22.51195690     11.83465698    -15.33721689
  H     19.25575453     17.75911192    -13.88083475
  H     20.44059480     15.25925770    -18.33478262
  O     16.10429330     14.71566172    -13.36841411
  H     17.89971117     17.42523224    -14.55904010
  H     14.57039116     13.97746644    -13.88710618
  O     16.81676234     14.20907175    -17.70674408
  H     22.78906214     12.68892774    -14.95879938
  H     13.04794321     13.74271176    -13.76136364
  O     15.56596279     11.16045663    -13.93211838
  H     23.12799924     11.17957303    -15.02108368
  H     23.16654190     15.03290189    -14.89712261
  O     14.42013795     13.04750775    -17.00045830
  H     16.70877361     13.96079471    -13.30116357
  H     22.71409702     14.53163341    -13.50566373
  O     22.01859236     12.68420866    -18.01598772
  H     16.38469550     15.35827807    -12.70542228
  H     18.48686985     12.34374103    -13.73984402
  O     22.89208489     16.58385305    -16.01175020
  H     17.34094348     13.41739290    -17.52603612
  H     17.05618344     11.93645906    -13.28537017
  O     17.33163048     16.54943873    -11.64346291
  H     15.89633422     13.93577602    -17.57974438
  H     15.72415234      9.71709718    -17.18264479
  O     19.75571147     12.29780816    -15.05141797
  H     14.85896132     11.81643360    -13.95953940
  H     16.66883979     10.91510407    -16.93220305
  O     19.06977842     14.71833144    -19.38674232
  H     15.65004092     10.83964457    -14.83893210
  H     22.22706579     15.29081955    -11.16023339
  O     21.07940807     15.31903373    -17.61027649
  H     14.12212601     13.24083576    -16.10327776
  H     20.90514115     14.88614633    -11.85258102
  O     13.82904744     13.44409499    -14.22000331
  H     14.75795013     12.14351665    -16.96737973
  H     21.70658090     17.09878943    -14.61997295
  O     23.13997222     14.25574451    -14.32717919
  H     22.24690643     12.32843605    -17.14958543
  H     21.35387345     16.58889189    -13.19192199
  O     17.79635855     12.53056444    -13.08985869
  H     21.81204507     13.61900956    -17.87981393
  H     18.79511533     13.69733928    -11.99809426
  O     15.80197996     10.53828281    -16.70401223
  H     23.55529119     17.09068721    -16.47301437
  H     18.62605484     15.15519951    -11.51642512
  O     21.80405405     15.22704256    -12.01238063
  H     22.30782355     16.20396288    -16.69078470
  H     18.74683162     11.73093584    -18.04848222
  O     21.02117266     17.10413266    -13.93958605
  H     17.04046327     17.15171541    -10.96470872
  H     18.75741783     11.88504254    -16.49328730
  O     19.26541655     14.43664455    -11.59229945
  H     17.68161575     17.09234149    -12.37325461
  H     20.12189002     15.65996035    -14.70623051
  O     18.18515417     11.76093022    -17.26340162
  H     20.67515894     12.01140165    -15.09151124
  H     18.77562856     15.33665332    -15.40497131
  O     19.67462478     15.01017255    -15.26025997
  H     19.76216420     13.26771477    -15.09796772
  H     16.67594811     15.56557014    -14.90302140
  O     17.14384747     16.00310604    -15.62793612
  H     18.21192406     14.70003464    -18.94281934
  H     16.97163012     15.48516738    -16.42697791
          69
 Energy    -250.24878715429276     
  O     15.88636983     10.63635559    -14.29245245
  H     15.62042787     11.52932624    -14.08944754
  H     16.11437742      2.63540491    -18.13928278
  O     13.72429077      4.57158608    -16.45741414
  H     15.09377183     10.18164955    -14.63130729
  H     20.01464099      6.33386662    -14.89407932
  O     17.95355728      6.58551589    -11.81128913
  H     14.47803147      4.09873359    -16.82965496
  H     19.26882941      5.11050385    -15.48643875
  O     19.79322735      6.45604540    -18.17985582
  H     13.80994018      4.51340204    -15.49550674
  H     18.75156163      7.89321838    -17.68203572
  O     17.23936989      5.46151080    -19.01796498
  H     18.74956696      6.85496162    -12.28228059
  H     17.35082859      8.49044929    -17.96830497
  O     13.49306272      6.62662911    -10.17889762
  H     17.27349423      7.21672603    -12.09994353
  H     17.26435143      7.55612747    -15.93915008
  O     14.15070053      4.67130010    -13.65881347
  H     20.62533273      6.39988774    -18.64117493
  H     16.58494983      7.45219301    -14.53537550
  O     16.11578903      8.23765598    -12.88798234
  H     19.95303624      6.15009628    -17.26843296
  H     13.45337929      8.61782442    -14.28475731
  O     17.56604921      4.38961735    -15.41744503
  H     16.74732133      6.28387916    -19.12630181
  H     13.79939183      8.57753268    -15.77846805
  O     13.18094589      3.92302608    -11.18326383
  H     18.14031838      5.71866851    -18.78667326
  H     16.27676384      2.30736997    -10.26361004
  O     18.55167453      9.69771057    -14.88742639
  H     13.12945247      6.99674227     -9.37889770
  H     16.23565966      3.40158088    -11.35582791
  O     16.12243043      3.42776533    -17.60888404
  H     14.42921522      6.43113723     -9.99615913
  H     13.98047910      6.29697311    -16.83764258
  O     20.03395227      5.68928764    -15.61117996
  H     15.08436138      4.56046509    -13.44230166
  H     15.17353650      7.11397093    -16.31621816
  O     18.09354679      8.51980684    -17.35217202
  H     13.66378546      4.31498798    -12.90072952
  H     20.74211939      8.08072941    -13.27305568
  O     16.70574027      7.00143470    -15.37959381
  H     16.09112443      9.14756718    -13.20618732
  H     19.42321516      8.43127317    -13.99038010
  O     13.70476474      9.18017955    -15.02945920
  H     15.20139125      7.92287186    -12.84896787
  H     17.17136327      4.10698185    -13.70083188
  O     15.85558427      3.12884175    -10.50214945
  H     17.11423565      3.92689508    -16.13273649
  H     17.26252082      5.02224610    -12.44919003
  O     14.38886199      7.17358246    -16.88211388
  H     17.22597820      5.29954263    -15.41881128
  H     16.05254703      4.91528239     -9.84709811
  O     19.91355088      7.70675334    -13.56466995
  H     14.00137713      3.52956872    -10.85875298
  H     16.82893565      6.16972019    -10.29306236
  O     16.84506096      4.22196481    -12.79817300
  H     13.13319267      4.79444856    -10.77133548
  H     15.35939904      8.42865365    -19.68239224
  O     16.08375510      5.87646129     -9.75501280
  H     18.49870447      9.44864529    -15.82115312
  H     15.23436381      7.72013149    -18.31197325
  O     15.86362182      7.98387403    -19.00659922
  H     17.70654825     10.11519850    -14.68553730
  H     13.68047802      6.41228278    -13.28268206
  O     13.53100715      7.29145292    -12.90575323
  H     16.49343059      4.13491796    -18.16682896
  H     13.38567552      7.15864212    -11.95990252
          69
 Energy    -250.24833760441780     
  O     17.62958199      9.71469472    -10.92630765
  H     17.62143107     10.58539508    -10.51293676
  H     13.53224170      9.76122994    -10.74034146
  O     13.85744008      5.81308421     -7.98836203
  H     17.04925531      9.15061770    -10.38554055
  H     18.74006595      4.58440908    -11.58151092
  O     17.37827544     12.01626859     -9.35001124
  H     13.13980791      6.29699125     -8.41238824
  H     19.55455459      5.18810091    -12.73796593
  O     11.92221443      7.33293009     -9.53194847
  H     14.41781297      5.50855697     -8.71668540
  H     15.39724759      5.59418280    -11.12850015
  O     16.20633727      8.77556868    -13.12115311
  H     17.47634413     12.96157053     -9.42165274
  H     16.54558523      5.33595146    -10.10885298
  O     19.63889932      7.86964066    -10.57501890
  H     16.49777553     11.85213016     -8.96467221
  H     21.30442507      7.06833239    -13.20969405
  O     20.11742315      8.27600371     -7.83875883
  H     12.12710040      7.15597875    -10.46778465
  H     20.20357284      7.27172984    -12.14438744
  O     18.34972326      5.39738199     -9.93335697
  H     10.98702086      7.17955546     -9.42368197
  H     15.88460812      8.94312267     -6.16531813
  O     12.61509991      7.13030323    -12.15224827
  H     16.83449604      8.38933520    -13.74962772
  H     15.74928932      9.94020488     -4.99099543
  O     15.02845422     11.37938379     -8.17904465
  H     16.72999038      9.16144910    -12.40559705
  H     18.87226222      7.28547673    -14.13816810
  O     13.69367548      9.75319239    -12.61195846
  H     19.92063163      7.98808716     -9.65894153
  H     17.68534650      6.48424359    -14.69679993
  O     13.52682835      9.62036086     -9.78418577
  H     18.99180723      8.56652637    -10.75747590
  H     15.05886047      8.64756850     -9.61717674
  O     18.94776764      4.46987278    -12.51838936
  H     20.91568237      8.40671619     -7.33343557
  H     15.74839498      7.25544595     -9.81333363
  O     15.59347273      5.49008750    -10.18803691
  H     19.52827045      9.02289798     -7.62945691
  H     17.64915715     10.19968461     -6.74418843
  O     20.38628749      6.89204440    -13.02053273
  H     18.73067943      6.23558864    -10.22482561
  H     18.17996433     10.93952285     -7.98697199
  O     15.96147116      9.88118499     -5.91879722
  H     18.37690271      5.42722121     -8.96541895
  H     15.52496352      7.03219244    -12.89378783
  O     18.03212714      7.38018841    -14.60389354
  H     13.38141856      6.61500588    -12.43714156
  H     15.67933755      5.58036444    -13.41538398
  O     15.90201321      8.17801659     -9.56692697
  H     12.81717751      8.03679518    -12.41374137
  H     17.53985159      6.41167205     -7.00285144
  O     18.43230455     10.31675753     -7.29524952
  H     15.22519247     10.89685368     -7.36647829
  H     18.99730387      6.78045801     -7.34864580
  O     15.14637387      6.14405583    -12.84074143
  H     14.40758983     10.83720522     -8.68315183
  H     16.04120968      7.73926153     -7.80907251
  O     18.38948360      6.03542206     -7.26473792
  H     14.58293100      9.44640886    -12.85850218
  H     15.12256390      6.76791929     -7.06761209
  O     15.87244280      7.36470271     -6.93103001
  H     13.45006410     10.42166665    -13.24737081
  H     17.67449483      4.53248862    -13.69735900
  O     16.99046829      4.70600584    -14.36959359
  H     12.89300511      8.91402985     -9.60025231
  H     16.96849957      3.94614841    -14.94432873
          69
 Energy    -250.24790776406019     
  O     12.65975411     11.73903892    -15.07843243
  H     13.54012851     12.03127635    -15.33759569
  H     12.24240896      6.13386322    -14.83835953
  O     14.77875498      6.65548174    -12.96306265
  H     12.53215094     10.88078251    -15.50752116
  H     17.42637287      5.75516055    -14.21218796
  O     17.73642374      9.85415897    -11.69049622
  H     15.69313207      6.35147512    -12.96272350
  H     18.09085371      6.88782051    -13.42210559
  O     17.38689634      8.39921167    -16.00498618
  H     14.76321726      7.41334960    -13.56987407
  H     15.70163245     10.87860156    -17.01141556
  O     10.87584176      7.44727632    -14.71599755
  H     17.42255682     10.11584536    -10.81266570
  H     16.54544426      9.59273817    -17.15423799
  O     16.30790462     10.42984354     -9.40986900
  H     17.11505383     10.26278324    -12.31008507
  H     15.66352580      8.60915779    -15.25290612
  O     13.67102381      8.11250216    -10.89009984
  H     17.40193218      7.44333472    -16.14723415
  H     14.11935770      8.90518639    -15.20293423
  O     15.74184878     10.94637277    -13.27871265
  H     17.99077668      8.57281466    -15.27239012
  H     12.06981633     11.68471874    -13.44859655
  O     14.78097207      5.99605859    -17.01204680
  H      9.95432785      7.20519428    -14.74322863
  H     11.06414152     12.24347724    -12.41440556
  O     15.51141048      7.71290902     -8.79573350
  H     11.02574404      7.88912704    -13.86003265
  H     17.52119384      8.07846731    -11.02347789
  O     17.24743050      5.58540432    -16.09336184
  H     15.51949920     10.76417710     -9.85843966
  H     17.48053420      6.59671088    -11.42947325
  O     13.03745084      5.59504911    -14.92273157
  H     16.04483208      9.58511135     -9.02488104
  H     12.06885501      8.45953939    -11.80104714
  O     17.54518735      6.09725418    -13.31655984
  H     14.06484818      7.54892589    -11.57265593
  H     11.42768379      9.71288538    -12.43754745
  O     15.87054549     10.12859983    -17.59375874
  H     14.15888343      7.93445043    -10.07718346
  H     19.97279218      8.58832561    -13.62112895
  O     14.91226080      8.77144485    -14.66855594
  H     15.16356384     11.05734914    -12.51140505
  H     18.65988193      9.05486395    -12.95609302
  O     11.74836309     11.59042328    -12.53398619
  H     15.42338691     10.15644075    -13.74466386
  H     14.64326995      9.03686085    -18.18775042
  O     17.40220153      7.18603101    -10.67179641
  H     14.47453537      6.74738178    -17.52897639
  H     13.81257937      8.43891034    -19.34887981
  O     11.37919061      8.74991859    -12.41166399
  H     14.11161968      5.81925251    -16.33296888
  H     13.23808150     11.23458983    -11.47493483
  O     19.02274034      8.53456370    -13.69268663
  H     16.20078244      7.42209693     -9.42015963
  H     13.92409218      9.91756711    -11.03379979
  O     13.95326956      8.38475399    -18.40748602
  H     15.60908955      7.18148251     -8.01047935
  H     15.62678852     11.88277755    -14.79615166
  O     14.05033294     10.87680886    -11.09558445
  H     16.33695427      5.66890650    -16.43490835
  H     15.86414937     13.10490111    -15.71087117
  O     15.43490388     12.25331913    -15.67429288
  H     17.67473907      4.91388707    -16.61760223
  H     11.92860237      8.53676887    -15.75831937
  O     12.55822114      9.16987759    -16.12741710
  H     13.58307514      5.80549063    -14.15345800
  H     12.86490181      8.84755005    -16.98422631
          69
 Energy    -250.24781085865251     
  O     -4.90711967      0.26884514      1.76204642
  H     -4.63590009     -0.05571696      2.63692060
  H     -0.47543220     -5.69964805     -0.52681585
  O     -3.37713415     -2.07768322      6.56280365
  H     -5.53573342      0.97034776      1.91340017
  H      1.79771324      0.59827463      3.45650728
  O     -1.30959522      0.11413165      3.86076580
  H     -3.52342829     -1.88355367      7.48508614
  H      2.31146868     -0.64420071      2.72429860
  O     -3.88908310     -0.78918982      4.08311134
  H     -2.41895181     -1.99583211      6.40921304
  H     -1.43744944     -1.02190101      1.12107695
  O      1.89128345     -2.14086185      5.52585685
  H     -1.10469967     -0.51113545      3.14651459
  H     -1.21901897     -2.43204665      1.76991079
  O     -3.50063654     -4.62627885      5.21032483
  H     -0.74856114      0.88151371      3.70170840
  H     -1.35072679     -4.28757538      2.81986459
  O     -0.77096164     -1.80401836      5.80092108
  H     -3.01328896     -0.38078161      3.99735782
  H     -2.70390662     -3.94897352      2.14834829
  O      2.00235121     -4.71498274      4.17140754
  H     -3.91431545     -1.17441085      4.96722818
  H      1.84457704     -1.08384313      0.26490250
  O     -2.54691779      0.13901579      0.17494433
  H      2.11668207     -1.44317329      4.89100625
  H      0.88060855     -1.49326678      1.39084236
  O      1.99169613     -4.22968864      1.50908646
  H      2.06933107     -2.97995339      5.08784408
  H     -4.15280490     -3.95169056      3.65468608
  O     -0.54048963     -2.39261016     -1.64810198
  H     -3.56349711     -3.86003433      5.79405469
  H     -4.12864193     -2.47581371      3.22387288
  O     -0.25611747     -4.83293412     -0.19331119
  H     -2.55569803     -4.74090957      5.04328033
  H      0.60336682     -1.07552137     -1.51125617
  O      2.32263513     -0.19904889      3.58236865
  H     -0.91098562     -1.07036808      5.18709571
  H      1.72174319     -0.25157678     -2.19083346
  O     -0.89311590     -1.52463753      1.74096916
  H      0.19033225     -1.91607073      5.86872998
  H      0.34421960      1.86563400      1.99769683
  O     -1.77856334     -4.15183270      1.96078079
  H      2.65942415     -5.37516491      4.37437735
  H      0.77042140      2.92338231      3.04038409
  O      1.81769410     -1.48568053      1.14020259
  H      2.04259865     -4.56578635      3.20991736
  H     -0.99906502      1.19461561      0.23497616
  O     -4.26678748     -3.37075091      2.88774668
  H     -3.33589451      0.28634058      0.71108238
  H      0.43512150      0.98518031     -0.26876056
  O      1.24518038     -0.35589987     -1.37182776
  H     -2.80732939     -0.44037318     -0.55243996
  H     -3.97256788     -2.13480569     -0.91562789
  O      0.52316708      2.00768763      2.94431435
  H      1.32644307     -4.53150702      0.88170067
  H     -3.85311238     -1.86523767     -2.43176733
  O     -0.09591362      1.52498339      0.32905612
  H      2.07269112     -3.27633314      1.36225768
  H     -0.76745388     -3.45170178      4.91832950
  O     -3.35063214     -1.88235942     -1.62096084
  H     -0.38239756     -3.23154801     -1.19782355
  H      0.18606818     -4.57794020      4.45605971
  O     -0.74472816     -4.32411205      4.50188618
  H     -1.49791786     -2.28384048     -1.68590116
  H     -5.19123467     -1.39710242      0.80426074
  O     -5.06650630     -2.28269523      0.44170479
  H     -0.85485061     -4.66180500      0.55425489
  H     -4.90258314     -2.84336528      1.21159563
          69
 Energy    -250.24695571125125     
  O     17.70515296     11.71439218    -18.70366647
  H     16.84265133     11.96162537    -18.31878681
  H     20.35928875      9.92093782    -16.40345573
  O     16.52504943      5.82360463    -12.98634244
  H     17.81625456     12.23362207    -19.49453107
  H     17.82226408      8.41332111    -15.00380110
  O     18.07263992     12.08459201    -12.15843845
  H     16.89981404      6.07521146    -13.84171146
  H     16.77824689      9.51499643    -14.65309149
  O     21.69900831      8.56112910    -13.84857140
  H     15.96860517      6.55538551    -12.69343179
  H     14.96051623     11.32346097    -17.32240812
  O     14.46045675     10.47940883    -10.41691227
  H     18.31044277     12.68024824    -12.87977569
  H     15.45400793     12.64224688    -16.66456329
  O     15.42039166      8.23234970    -11.90146628
  H     18.61767244     11.29520818    -12.29144514
  H     18.57436309      8.80211975    -11.46350400
  O     18.67898301     13.42616351    -14.57467613
  H     22.64486356      8.66931141    -13.80261512
  H     18.27968418      7.42878646    -10.80674024
  O     20.19712693      6.13644379    -13.61630521
  H     21.44134463      8.72580136    -14.77421591
  H     14.65439856      9.49832058    -15.96707668
  O     15.01969387      9.65862001    -14.23726175
  H     13.86621047     10.64625242     -9.69058905
  H     13.71047771      9.07467546    -17.11257695
  O     18.05450740      6.65433619    -15.22399620
  H     15.36486584     10.61954225    -10.08033598
  H     17.47991939     11.39770291    -10.42291423
  O     18.62408726      5.65576042    -11.26224463
  H     14.92093469      8.86542189    -11.37142876
  H     17.45921437      9.92990105     -9.95119434
  O     20.83087538      9.07930541    -16.36143573
  H     16.32490923      8.26648856    -11.55609442
  H     20.28556085      9.41197328    -13.01520888
  O     17.71125509      9.36047431    -14.83951275
  H     19.27875467     14.13609631    -14.78991920
  H     18.81883993      9.59875478    -13.48474954
  O     15.36090679     12.17940454    -17.51118463
  H     18.88325508     12.69339751    -15.17979509
  H     16.26049232     11.97880557    -12.49192011
  O     18.01114724      8.35531764    -10.81419379
  H     20.77800646      6.90554681    -13.57639548
  H     14.87863391     11.56830038    -11.92738052
  O     14.55649659      9.47815361    -16.93317909
  H     19.84071618      5.99366718    -12.73121417
  H     19.23239163      6.78375944    -18.52763963
  O     17.07514296     10.80158197     -9.78068597
  H     15.09053765      9.03021120    -13.50550263
  H     18.28976467      7.90098416    -18.01860938
  O     19.42125183      9.73572862    -12.73677459
  H     15.04938818     10.53586075    -13.83040058
  H     15.49627064     13.01903598    -14.24759897
  O     15.31544007     11.94195803    -12.70185856
  H     18.83821672      6.41930345    -14.70017026
  H     16.77992031     13.50996787    -14.93448179
  O     19.03067335      7.32057389    -17.76594644
  H     18.34215153      6.71622230    -16.14255918
  H     18.51728835     10.60981015    -15.84567104
  O     15.83454444     13.38223073    -15.07533070
  H     17.85528241      5.61472673    -11.86053910
  H     18.64635239     11.46452456    -17.14588376
  O     19.04705492     11.29512557    -16.28318351
  H     18.62175963      4.84807279    -10.75578756
  H     17.25850450      9.88073480    -18.60510516
  O     16.99528436      8.98144174    -18.37392952
  H     20.29571702      8.44883793    -16.85850398
  H     16.16645413      9.06414341    -17.88755287
          69
 Energy    -250.24632099054719     
  O     16.58865216      9.64588620    -15.94574050
  H     16.94870828      8.82202278    -15.57546092
  H     15.96129730      8.91670408    -11.23672005
  O     18.59667168      8.76877231    -12.41591764
  H     16.87257985      9.68524000    -16.85536511
  H     14.91407390      7.67388611    -12.90378093
  O     15.09934538     10.19522682     -8.65466945
  H     17.97336682      8.88231052    -11.68066074
  H     14.49962562      9.14843761    -13.09682752
  O     11.76094664      8.96296450    -14.14450796
  H     19.29009482      8.17760368    -12.10114746
  H     12.48076436      6.16478029    -11.30138794
  O     17.73852329      3.47950096    -12.00929977
  H     14.64469459      9.41347558     -8.32383878
  H     13.42421283      4.98649224    -11.62721090
  O     12.42848867      6.15746719    -14.38492404
  H     14.48944953     10.63201369     -9.26995504
  H     21.19582160      6.74877523    -11.12036238
  O     16.12213126      6.51884532     -9.48367146
  H     11.96183617      8.02704190    -14.25980083
  H     19.74933656      6.26111743    -10.86653172
  O     13.52553168     11.32913760    -10.65422612
  H     12.54444500      9.44860682    -14.43833439
  H     15.25586154      5.62344950    -13.10479007
  O     19.07921761      5.24313897    -13.59029263
  H     18.01928070      2.58865598    -12.20019667
  H     14.29524612      6.13535542    -14.22318264
  O     15.18967322     12.23402498    -12.83993128
  H     18.19824626      4.06087772    -12.64126635
  H     18.02551425     10.39857449    -13.17360428
  O     14.19863486     10.26677135    -14.55508818
  H     12.37457752      5.82395844    -13.47058866
  H     17.30940365     10.71686341    -14.49575701
  O     16.64564224      9.01430750    -10.55694738
  H     11.88405565      5.58495081    -14.91935444
  H     17.86212865      7.88446199    -13.83760249
  O     14.71736479      8.48990396    -12.42684938
  H     16.40542351      7.36475914     -9.86120024
  H     16.72603562      6.95737061    -14.40608387
  O     12.54304414      5.34111667    -11.80408273
  H     15.40537457      6.73687646     -8.87665611
  H     17.80417063      5.68686528     -9.62570007
  O     20.31909341      6.74070141    -11.49458837
  H     14.07336118     11.63288204    -11.38763223
  H     18.35097569      4.56071660    -10.52400468
  O     15.20152098      6.18363110    -13.89331923
  H     12.73002527     10.94679018    -11.04032287
  H     11.32081146      9.61744643    -12.58782320
  O     17.52731863     11.08727568    -13.63219521
  H     19.62995835      5.73626943    -12.96830236
  H     10.29427934     10.33731657    -11.68221192
  O     17.53766073      7.43596776    -14.63397501
  H     18.62530097      5.90683293    -14.12237726
  H     15.56182052      5.37945735    -10.79116535
  O     18.62188821      5.28683387     -9.94907789
  H     15.29250079     13.18257851    -12.84635780
  H     16.07378036      4.20762731    -11.66917347
  O     11.16928662      9.95932377    -11.68850364
  H     16.07142303     11.85992222    -13.01497334
  H     13.22881065      7.31998918     -7.48869074
  O     15.31409984      4.78308173    -11.51254089
  H     14.43662453     11.05887333    -14.05371433
  H     13.37362639      7.68072295     -8.98526545
  O     13.86409074      7.57750602     -8.15177253
  H     14.94996264     10.05548361    -15.12396367
  H     13.43567193      8.09726394    -11.19792202
  O     12.69117759      7.88706631    -10.61394509
  H     16.25019735      9.52780889     -9.83791548
  H     12.01545680      8.54295609    -10.82422252
          69
 Energy    -250.24628169884141     
  O     19.70009039      7.72318090    -13.62655566
  H     19.49549512      6.78391743    -13.53794082
  H     13.16064182      8.65982948    -11.34507878
  O     14.93806732      4.80158409    -16.32558847
  H     19.43801160      7.95907695    -14.52467428
  H     16.11028100      8.75338239    -14.43645768
  O     13.29573266      9.00737481    -13.06933753
  H     15.84744147      5.13246904    -16.21652660
  H     15.00474550      8.60815235    -13.35755517
  O     11.13158976      6.26514898    -11.09405402
  H     14.96803037      4.14235994    -17.01417839
  H     17.85473305      5.28293210    -13.03431277
  O     13.17731829      7.03595803    -16.34913932
  H     13.15215486      9.74667589    -13.67627069
  H     19.00001605      4.24199835    -13.05626041
  O     18.67409794      8.25801196    -16.27542065
  H     12.84258468      8.22470379    -13.41166500
  H     13.41399105     10.56070222    -15.75400971
  O     17.47248930      5.68652607    -15.95999418
  H     11.81443550      5.58247448    -10.96398694
  H     14.07662278     11.49456702    -14.72276663
  O     15.06482548     10.21616392     -9.75073919
  H     10.33271333      5.93630279    -10.69089657
  H     16.04740602     11.84859346    -13.47158399
  O     13.23339710      4.54455234    -10.89827459
  H     12.65394584      6.90849463    -15.54866713
  H     16.08556279     13.01015567    -14.48923195
  O     16.46341649      9.82513778    -15.92933995
  H     13.77763569      6.28174449    -16.40079554
  H     11.61013324      6.50193130    -12.94281984
  O     14.13543729      4.61632264    -13.61985899
  H     19.21753322      8.57811713    -16.99145681
  H     12.81286528      5.88952047    -13.69228332
  O     13.06270639      8.29179294    -10.45202800
  H     17.92620221      8.87327379    -16.19604760
  H     13.67111170      9.58217672    -18.08110141
  O     15.90182978      8.33430140    -13.59519349
  H     17.86398051      6.54496860    -16.15898910
  H     13.69318065      8.57414595    -16.90820360
  O     18.68922619      5.04097558    -13.47341728
  H     17.93981332      5.36224675    -15.18014829
  H     15.86517330     11.11286119    -11.15737983
  O     13.25916926     11.01873445    -14.91875259
  H     15.76433952      9.61603338     -9.46672829
  H     17.17632451     10.73227420    -11.85738960
  O     15.86429618     12.08723209    -14.39891560
  H     14.27852680      9.66622129     -9.84986667
  H     15.96734014      6.04533858    -11.59638439
  O     12.13038706      6.57465409    -13.75197052
  H     13.51535651      4.35740895    -11.80284959
  H     16.19669502      6.71867960    -12.97754918
  O     14.01351014      9.44641161    -17.20183852
  H     13.94904820      5.04726569    -10.48760138
  H     18.72324696      8.63224684    -12.39539049
  O     16.45564738     11.37345263    -11.87814702
  H     15.66080040      9.68560187    -16.45050757
  H     17.19856967      8.83061305    -12.41299009
  O     16.30312035      5.88734805    -12.48871157
  H     16.34699396     10.65100714    -15.43948831
  H     17.91755879      8.40076137     -8.73121991
  O     17.99174963      9.00400267    -11.88429432
  H     14.92731818      5.01590160    -13.22959462
  H     17.56306911      8.52461498    -10.23123624
  O     17.20843540      8.28338245     -9.35793294
  H     14.33756971      4.51166333    -14.55723615
  H     14.43574858      7.12167114    -10.17604330
  O     15.16264104      6.49273672    -10.05281552
  H     12.29485948      7.71167898    -10.49800911
  H     15.89065157      6.99946877     -9.67093926
          69
 Energy    -250.24485052873996     
  O     12.88236589      9.71538982    -10.60858730
  H     11.97791981     10.03442223    -10.50093549
  H     14.03167906     16.27289532    -10.31166129
  O     12.81673859      7.15203624    -11.77843991
  H     12.84846584      8.84681491    -11.02465278
  H     10.94985331     11.87010318     -9.13331094
  O      9.08261660      8.23360947    -10.29234558
  H     11.89345751      7.02897806    -12.02642323
  H     12.29886634     12.53883271     -8.73978879
  O     14.82208533     11.34974200    -11.56071496
  H     12.97147643      6.70862805    -10.93281307
  H     14.43307190     11.18055301     -8.36655516
  O     16.61799116      9.16075631    -11.62343252
  H      8.17695198      7.96341761    -10.15882678
  H     13.77323052      9.95566000     -9.01050370
  O      9.89717278     14.58767184    -12.28506044
  H      9.38598546      7.81350446    -11.11250599
  H     14.92738655      7.38840905     -9.28303129
  O     10.51797477     11.93173542    -12.87809845
  H     14.09138528     10.77383109    -11.27696009
  H     15.34485478      8.79112590     -8.81113677
  O     12.71185161     14.87320937    -12.84996115
  H     15.58836593     10.76909644    -11.62321827
  H     13.84200972     11.97614891    -12.92305530
  O     11.16726932      7.65932563     -8.33037399
  H     17.56394199      9.04298667    -11.63894704
  H     13.24952437     11.49518714    -14.26710816
  O     10.79543833     14.88324626     -9.74962373
  H     16.29740641      8.72161590    -10.81529177
  H     10.28772489      7.98073973    -13.18343120
  O     14.67158555      8.28932946    -13.52311243
  H     10.14383462     14.69256431    -11.34788194
  H      9.77437230      6.51981022    -13.24554497
  O     13.54817391     15.45126451    -10.32338751
  H      9.18451573     15.19822161    -12.45162540
  H      9.76786509      9.96429058    -10.37274508
  O     11.37214867     12.44623712     -8.47816967
  H     11.45817164     12.02885677    -13.08998141
  H     10.29243541     11.13959518    -11.28096978
  O     14.31780991     10.22971515     -8.25418086
  H     10.17673020     12.82424317    -12.73844011
  H     11.49064758     10.86886330     -7.30407869
  O     15.63610626      8.03828825     -9.34554274
  H     11.74855584     14.86775244    -12.79349645
  H     12.74354842     10.01165864     -7.18803852
  O     13.20525227     12.20567203    -13.61592728
  H     12.95950093     14.02255484    -13.23560291
  H     10.45514566     10.26483118    -13.71350162
  O     10.10741814      7.18439228    -12.64835638
  H     11.31330229      8.46376103     -7.80946203
  H     11.51973810      9.48692383    -14.50932356
  O     10.32393229     10.75132354    -10.39488188
  H     10.42351413      7.83784660     -8.91289222
  H     13.53204726      9.70945470    -16.07705238
  O     11.79522890     10.00498259     -7.00244632
  H     11.70021413     15.20836950     -9.83291447
  H     13.79679389      9.29602353    -14.60882174
  O     10.67170152      9.38911095    -14.05871989
  H     10.85632154     14.09137122     -9.19847907
  H     12.55826071      6.78051259     -8.82790485
  O     13.24331677      9.85878789    -15.18088237
  H     15.39587525      8.56815764    -12.95090804
  H     13.38017311      5.47679247     -8.69687391
  O     13.31942928      6.29009516     -9.19044296
  H     14.06448858      7.78815949    -12.96111132
  H     13.98266913     13.79329969     -9.55801573
  O     14.08702841     12.86512963     -9.31487651
  H     13.32725872     15.26860596    -11.25425959
  H     14.42105735     12.42234009    -10.10788727
          69
 Energy    -250.24450110145048     
  O     -5.17402610      3.14685807      2.63079981
  H     -5.88627350      2.75350275      3.12931290
  H     -4.50542105      1.74461109     -1.71033097
  O     -2.51670438     -2.06853861     -0.29656940
  H     -4.61074556      2.41613335      2.32541642
  H      0.36233325     -0.91913891     -0.39601574
  O     -2.39541091      3.77091041     -2.40646977
  H     -1.64535346     -1.82976739     -0.66529444
  H     -0.32117275     -0.28149923     -1.62264788
  O     -3.35704193      0.50899396     -1.09081612
  H     -2.68604461     -2.97142406     -0.55046833
  H     -1.06805175      2.27000439      4.36580304
  O      2.05308832      0.32479863      3.75876707
  H     -2.32409506      4.40869141     -1.68333829
  H     -1.19594386      3.26941453      3.18136714
  O      0.74055975      6.02727432      2.41638503
  H     -3.31694058      3.48960076     -2.41105313
  H     -2.49144686      6.22873379      2.83333156
  O     -1.50421451      3.19285041      1.40261687
  H     -3.22594011     -0.42636905     -0.89400862
  H     -2.30391910      7.72601499      2.49516868
  O     -0.71403675      0.52201140      4.48767554
  H     -2.49316333      0.86444812     -1.35230994
  H     -3.57063416      1.05473454      0.64030946
  O     -1.68736409     -0.77671681      2.12994985
  H      2.29333570      1.26345619      3.65789030
  H     -2.90923494      0.55999255      1.94134990
  O      0.88684401     -0.13739036      1.24578461
  H      2.76665053     -0.09136090      4.23476116
  H     -2.61985040      4.37822543      4.09486460
  O      2.63845713      2.95229509      3.47500905
  H     -0.16486075      6.34482310      2.32380205
  H     -3.99948092      4.45327053      3.42070288
  O     -5.00955145      2.53108425     -1.97555183
  H      0.82654989      5.71594995      3.32668788
  H     -0.22837971      1.84833751     -1.24283064
  O     -0.14971365     -1.12810142     -1.18932967
  H     -2.20256871      2.52714806      1.43257528
  H     -1.33688863      2.33384130     -2.20194087
  O     -1.16516797      3.20792135      4.14778366
  H     -1.84111641      3.94596355      0.89860030
  H      0.86813627      4.97951519      5.84085332
  O     -1.99527822      6.85147493      2.27261205
  H      0.23413199      0.41214531      4.33869151
  H      0.16179650      4.17455726      4.72237227
  O     -3.49097283      1.24538795      1.58475628
  H     -1.14736595     -0.04428782      3.83796508
  H     -5.20842204      3.80616334     -0.57695810
  O     -3.29609972      4.99909688      3.79097205
  H     -2.04549200     -1.35898925      1.44992825
  H     -5.26779107      4.04774390      0.95429742
  O     -0.89175659      1.53759144     -1.87396441
  H     -0.79900215     -0.53464297      1.82613944
  H      1.44619815      3.07705320      0.34546929
  O      0.94341687      4.71853447      4.92720922
  H      1.37772202     -0.10109753      2.07536363
  H     -0.02058114      2.68774477      0.64563827
  O     -5.11707066      4.48250846      0.10630809
  H      0.92008666      0.75632474      0.87202981
  H      3.12700861      4.99872533      0.61439609
  O      0.78289049      2.39685409      0.18452111
  H      2.15783275      3.55463075      4.05641607
  H      1.83118152      5.06782414      1.45668860
  O      2.46463596      4.45821929      1.03620215
  H      2.69460472      3.40115430      2.62339055
  H     -3.47425025      5.13121147      0.01321964
  O     -2.52362106      5.32539650     -0.03851254
  H     -5.60161226      2.25467862     -2.67101305
  H     -2.33271065      5.99442980      0.62868050
          69
 Energy    -250.24438113704082     
  O     -3.69949612     -0.35774037      3.09255978
  H     -3.48149328      0.48276821      3.51836283
  H     -2.87505136      1.85991351      0.06136096
  O      0.25173355      3.34325364      3.23388481
  H     -2.87047939     -0.77447237      2.82156426
  H     -5.82002548      1.41938554      0.41445871
  O     -1.42483158     -1.45765509      1.97747353
  H     -0.56391346      3.68208173      2.84140557
  H     -7.24463007      1.44993298      0.99350234
  O     -3.81169122      0.40718314     -2.86340894
  H     -0.00537593      2.92172822      4.06306865
  H      2.52687407      1.67262657      1.77342222
  O     -1.86515939     -1.16356271     -1.65762427
  H     -1.08272655     -0.80069717      1.35168210
  H      1.16841336      2.16572891      2.32740301
  O     -4.11262784      0.75395507      0.56878874
  H     -1.88122868     -2.12455527      1.45135864
  H     -5.49039208      3.65094325      2.90884293
  O     -7.66389483      1.18063063      2.80892625
  H     -3.06684546     -0.12850874     -2.55374629
  H     -4.86551532      2.62477986      3.87153912
  O     -3.06784249      2.12425170      4.11898373
  H     -4.60087744     -0.01097288     -2.49663354
  H     -3.08572922      4.39863984      2.02239398
  O     -3.58654856      3.07469221     -2.58579135
  H     -2.23378636     -1.84212796     -1.08217603
  H     -2.15566912      3.43616383      1.25319336
  O     -5.80707382     -0.69632265     -1.24938967
  H     -1.23214749     -0.67290094     -1.11782687
  H     -5.14231384      5.89390779      1.75939886
  O     -5.73971507     -2.88998281      0.56262058
  H     -4.39982477      0.11003741     -0.08952920
  H     -5.07448977      4.64919041      0.84479296
  O     -2.17403342      2.46013445     -0.24528084
  H     -4.02280523      0.31192791      1.42238129
  H     -6.80733141     -0.51583231      2.72664837
  O     -6.75070987      1.54967561      0.17118763
  H     -8.44906310      1.38208824      3.31043244
  H     -5.36797573     -1.02413186      2.95839143
  O      1.61713470      1.41587622      1.89659148
  H     -6.97610445      1.80596330      3.10340122
  H     -0.32047551      1.58392244      6.31083228
  O     -5.70486170      2.91140732      3.49035055
  H     -2.77425030      2.70958175      3.40565127
  H     -0.28863315      0.91956163      4.91324380
  O     -2.26984489      3.88941976      2.10163804
  H     -2.30552878      1.99012089      4.69543921
  H      0.91150495      0.18589106      3.19628633
  O     -4.83545803      4.99171167      1.72479308
  H     -3.41643849      3.46866004     -3.43671737
  H     -0.22620307     -0.84598836      3.30507900
  O     -6.24657940     -1.29636980      2.65380828
  H     -3.68583769      2.11604171     -2.73658312
  H     -3.91614136     -3.04723315      0.36149056
  O     -0.63120529      1.68120140      5.41505243
  H     -6.36415236     -0.00973216     -0.85646333
  H     -2.76711138     -4.01303196      0.01169802
  O      0.36121006     -0.28932953      3.83189262
  H     -5.89925449     -1.48901974     -0.70884180
  H      0.39211980      0.73533851      0.67327142
  O     -2.95617900     -3.10558239      0.24325092
  H     -6.37217997     -3.60352735      0.54578039
  H     -0.93480866      1.17352883      0.00025894
  O     -0.37736152      0.40569734      0.19350710
  H     -5.95852491     -2.34069374      1.33840173
  H     -6.11027113      3.18503166     -0.51049711
  O     -5.53522020      3.94469338     -0.67115626
  H     -2.48078945      2.80209730     -1.09247848
  H     -4.91430240      3.68085845     -1.36081859
          69
 Energy    -250.24431689924432     
  O     18.09091193      9.16653223    -12.63541017
  H     17.22639161      9.58496246    -12.76452412
  H     15.01856951      7.47134305    -14.19042944
  O     11.70073633     11.07261996    -11.15566809
  H     18.50591218      9.61957092    -11.88894794
  H     13.32485385      8.97401799    -14.93431118
  O     19.25639515      9.21402724    -15.07859476
  H     11.98902562     11.46729622    -12.00048733
  H     12.06737317      9.25174987    -15.78860489
  O     11.67054897      8.49557705    -12.34780719
  H     11.03989189     11.65287445    -10.78926857
  H     16.05076067      8.84927659     -6.71487354
  O     17.17313919      7.07288219    -11.04645323
  H     19.90286784      8.52204752    -15.18828480
  H     15.77184209      8.56714949     -8.20579030
  O     19.01760683     10.57689709    -10.44182483
  H     18.88067896      9.11093516    -14.18586818
  H     13.37237684     10.57716383    -10.58557091
  O     19.66197853     12.80565047    -12.03410362
  H     11.87006390      8.73910409    -13.25982212
  H     14.36297268      9.43294262    -10.14424022
  O     16.57538587     11.36778286     -9.31069902
  H     11.55511979      9.32925909    -11.87589533
  H     19.01538531      8.92222970     -9.42521638
  O     12.92207638      6.45705915    -11.09082092
  H     17.76385512      7.21676638    -10.29295013
  H     18.02442693      8.41006812     -8.36982133
  O     16.73808909      9.78070011    -16.27587776
  H     17.46950643      7.71015009    -11.71084156
  H     15.79531109     12.87094554    -14.45464267
  O     15.16604877      6.19974381    -12.90098380
  H     19.38241674     11.33709152    -10.91253533
  H     15.81595402     13.14323774    -12.90619007
  O     14.93370302      8.30307608    -14.67666471
  H     18.17769366     10.87205511    -10.05981821
  H     15.10612016     10.21211147    -12.04409691
  O     12.46007605      9.41827295    -14.93541864
  H     20.36164043     13.45327019    -12.01898187
  H     15.52448637     11.13881635    -13.20812309
  O     16.35076615      9.05448375     -7.59724321
  H     19.55231043     12.53341842    -12.96264995
  H     19.39816130     11.09798160    -14.81624001
  O     14.29976520     10.34547467    -10.45795580
  H     15.74821241     11.13325117     -9.75846706
  H     18.46976454     12.29824678    -15.06534568
  O     18.70574034      8.11837757     -8.98744888
  H     16.60648331     10.77196028     -8.55323689
  H     16.71652642     11.51695130    -16.12248361
  O     15.26121319     12.86094987    -13.65027007
  H     12.44478004      7.17132903    -11.55004681
  H     16.73290336     12.89810232    -16.81956914
  O     15.59303330     10.23432026    -12.87772922
  H     12.29301159      5.75558925    -10.94486890
  H     15.68180000      7.53399956    -10.12784488
  O     19.26941233     12.02903426    -14.59766469
  H     17.61390704      9.49308740    -15.98763685
  H     14.16512945      7.25570600     -9.98438941
  O     16.80239875     12.47519857    -15.96756711
  H     16.10688022      9.18135257    -15.85795524
  H     17.84052352     13.23964844    -11.66280787
  O     14.89376187      7.77021607     -9.61446627
  H     14.38363451      6.18929824    -12.33694731
  H     16.75593140     12.83161827    -10.65572957
  O     16.89736643     13.32040712    -11.47387646
  H     15.91481876      6.30950748    -12.30161947
  H     12.59626874     11.16610977    -14.11133950
  O     12.59878518     11.94103658    -13.53629302
  H     15.15450876      9.00309904    -14.04076050
  H     13.47108604     12.35074163    -13.61215540
          69
 Energy    -250.24430650494315     
  O     16.44497717      7.98342563    -15.54413115
  H     16.61200761      8.65631108    -16.22889102
  H     17.62114182     10.52053905    -17.22126763
  O     14.74856546     11.75942994    -14.80848110
  H     16.32172521      7.15460932    -15.99883228
  H     18.67614674     11.00905463    -10.70011361
  O     20.43443347     10.79853333    -11.20367379
  H     14.65199711     11.61351036    -15.75867492
  H     17.22012440     10.48939838    -10.81082818
  O     20.78550293     13.22693706    -12.60882627
  H     15.68625610     11.63178917    -14.59189843
  H     19.82842326     16.63813612    -15.38311499
  O     16.33089054      8.88710830    -11.45014480
  H     20.66948313     11.68341154    -11.51501737
  H     18.76749768     16.33177073    -14.30247258
  O     18.20212286      8.75316807    -13.51572576
  H     20.67139987     10.21355525    -11.93099838
  H     20.31299158     11.81066700    -15.61038922
  O     14.63518936     11.58714686    -17.63577404
  H     21.20823226     14.08840945    -12.70609033
  H     21.12398903     10.93906818    -14.61892406
  O     18.04743579     14.51635481    -16.82731480
  H     20.88127416     12.76771954    -13.45556067
  H     16.29825987     14.34331419    -17.38762481
  O     21.84482779     15.72497158    -13.26148344
  H     15.66043891      9.01843988    -12.14365538
  H     14.98882119     14.46354260    -16.58643467
  O     18.71577371     11.84874887    -16.48836910
  H     15.94171809      8.31252671    -10.79604251
  H     21.06021099     15.36114409    -16.70000470
  O     14.68489202      9.17935771    -13.60412825
  H     17.67450688      8.69691175    -12.70739858
  H     20.86141338     16.43071160    -17.80140376
  O     16.89251695      9.90512198    -17.37610661
  H     17.66165473      8.39753667    -14.23473061
  H     17.52715700     14.58168448    -13.48031679
  O     17.74646719     11.26677986    -10.59946577
  H     14.90020753     12.52426305    -17.66564835
  H     16.32616720     15.08086282    -14.32051041
  O     19.62750121     16.74769296    -14.44528834
  H     13.89926512     11.49085590    -18.23420662
  H     22.20599406     14.78790316    -14.90972803
  O     21.07659830     11.81762395    -15.01555596
  H     17.82695370     14.72082015    -15.90623889
  H     21.90247692     13.43009841    -15.58229041
  O     15.34540492     14.18345594    -17.43795454
  H     18.82765472     15.03790692    -17.05198814
  H     21.38505138      8.51665385    -13.73343611
  O     20.41035951     15.96504448    -17.10282609
  H     22.33487509     16.40152950    -12.80287964
  H     19.94295215      9.06516157    -13.64150790
  O     17.28119226     15.16277068    -14.21583768
  H     21.04015643     16.14693448    -13.61333425
  H     17.64176024     12.06223381    -13.46154543
  O     22.13302444     14.34954034    -15.76698532
  H     18.23397067     11.69549604    -15.65972258
  H     17.68380071     10.54372517    -13.83076425
  O     20.87962551      9.32356890    -13.67022254
  H     18.52264521     12.76132374    -16.74177736
  H     14.56059522     13.54855263    -14.63305724
  O     17.39504873     11.41191441    -14.13289175
  H     14.51733001     10.06875725    -13.93956245
  H     13.76655977     14.81434740    -14.23901490
  O     14.55620500     14.51896338    -14.68541757
  H     15.16228317      8.72083207    -14.30731066
  H     17.83237011     12.73996661    -11.58051852
  O     18.05182517     13.36762739    -12.28636925
  H     16.12104764     10.45168477    -17.57168086
  H     19.01770673     13.39267715    -12.35130751
          69
 Energy    -250.24323851108261     
  O      0.30937745      2.31944179     -1.07695573
  H      1.21145413      2.38717989     -0.74372831
  H      3.34840466      1.06782459     -1.65032207
  O      1.85480973      0.30040904     -4.49291236
  H      0.11931140      1.37144639     -1.15103630
  H      0.01432233     -2.13789880      1.16173322
  O     -0.28703464     -3.73929572      0.32796685
  H      2.35147548      0.48090514     -5.28656885
  H     -0.12165590     -0.83476078      0.35314396
  O     -2.07902092      2.54583881      0.39276800
  H      2.47140458      0.39940203     -3.74484310
  H      4.58901565     -2.54453104     -0.76998368
  O     -0.48312598      1.90478698     -3.77887179
  H     -0.32158435     -4.70572933      0.31252717
  H      3.09420905     -2.67381554     -1.13160771
  O     -3.68517515     -0.77689669      0.38144610
  H     -1.12057499     -3.43370888     -0.05978190
  H     -1.52015301     -6.33676002     -0.51269030
  O      0.53907429     -1.89315912     -3.39919662
  H     -1.95470018      1.90886993      1.10717580
  H     -0.10184878     -6.42338307     -1.10289539
  O      2.95350879      2.11211774     -0.11746772
  H     -1.23385251      2.61055100     -0.07167328
  H     -2.38303810     -5.45802774     -2.83563475
  O     -1.88299974      0.40613146      2.29372126
  H      0.27000930      1.40041428     -4.10762419
  H     -2.01627264     -4.23084198     -3.69306520
  O     -4.17074760      1.65565976     -1.06908661
  H     -0.19350214      2.27582763     -2.93476604
  H     -2.51219808     -1.45550964     -3.45938480
  O     -3.23203730     -5.70719094     -1.13641535
  H     -3.99261592     -0.01605046     -0.12531384
  H     -1.20527188     -2.25851497     -3.56347582
  O      3.46662499      0.40235438     -2.33896417
  H     -3.15482679     -0.41261448      1.10000054
  H      1.05502503     -3.62220802     -0.89939805
  O      0.07900890     -1.17700067      1.24027087
  H      1.10137140     -2.49820977     -2.90044107
  H      1.51362729     -4.50487582     -2.08005577
  O      3.78463684     -2.04137995     -0.87404986
  H      1.07818594     -1.23628350     -3.85794979
  H     -1.31988531     -0.13729159     -1.68576313
  O     -0.58780180     -6.41343699     -0.26961845
  H      3.52655902      2.70561219      0.35998416
  H     -0.00079981     -0.86300476     -1.97084539
  O     -1.80454390     -5.16248993     -3.54987044
  H      2.87836297      1.30019665      0.41644334
  H      0.98744496     -6.63783341     -3.45801665
  O     -2.16741449     -2.35849083     -3.49637172
  H     -1.90938914      0.40461033      3.24718570
  H     -0.17715024     -5.66244516     -3.17166773
  O      1.71275533     -3.68551163     -1.60792723
  H     -1.14368294     -0.16839706      2.03316588
  H     -1.96604532      0.93067260     -3.36503500
  O     -0.45966154     -0.34495778     -1.29806540
  H     -4.89062028      2.28000274     -1.07608363
  H     -3.23371177      0.83988126     -2.44572962
  O      0.69430578     -5.96106686     -2.85384414
  H     -3.44819508      2.06276764     -0.55690498
  H      3.13034785     -0.93228147      0.54441478
  O     -2.62056150      0.32507818     -2.98366291
  H     -4.12541281     -5.95520384     -0.91390790
  H      1.82970418     -0.58437787      1.29608282
  O      2.73079776     -0.27724049      1.12937086
  H     -3.15149225     -4.75523316     -0.95106458
  H     -3.11531094     -2.27091243     -0.38394857
  O     -2.72352679     -3.03450043     -0.83169586
  H      3.63480578     -0.43074563     -1.88241026
  H     -2.54299062     -2.78184380     -1.74725445
          69
 Energy    -250.24264913972610     
  O      9.47084433     12.23901915    -10.86261667
  H      9.59422886     12.16292088    -11.81741295
  H     13.51395284     12.01857366    -13.29847948
  O     12.75044287      7.39564362    -15.64635019
  H     10.10082166     12.90631363    -10.55530048
  H     16.89605067     10.06652285     -9.29179498
  O     13.36636120      8.40787845    -13.09064175
  H     11.81085174      7.58123692    -15.46585699
  H     16.21426727      9.25183452    -10.40085489
  O     12.47766275     12.95478443     -7.49115999
  H     12.78506550      6.56395731    -16.11018178
  H     14.42597042     14.60463423    -11.50057893
  O     13.15148441     10.17988773    -16.22631934
  H     12.48009714      8.66463602    -12.79440825
  H     13.65644551     15.83046320    -12.05209602
  O     10.77490783      9.17433732    -12.37544902
  H     13.25821245      7.94106353    -13.92728069
  H     14.17574662      9.49233918    -10.54489167
  O     14.06221188      8.82466660     -7.83993115
  H     12.15113949     12.06371662     -7.70399936
  H     14.20728787      8.25924200    -11.45057911
  O     13.48736978     11.14481369    -10.47048241
  H     12.07548400     13.20616981     -6.66361747
  H     16.99339610     10.90657061    -11.58927048
  O     11.80044072     10.45725174     -8.41380776
  H     13.13797627      9.21683799    -16.15555611
  H     17.81985426     11.53612585    -12.73343617
  O     15.87914858     13.80853504    -11.03136480
  H     13.76231593     10.48563323    -15.54392225
  H     10.26198920     11.49052559    -14.43845470
  O      9.51854858      9.75222741     -9.85963066
  H     10.60690993     10.05055944    -12.75400056
  H     11.17297301     12.04026414    -13.30308038
  O     12.79630660     12.48898687    -12.85176323
  H     10.38497170      9.18702974    -11.49509467
  H     15.48761618     11.96395709     -8.18815122
  O     16.96279469      9.84092648    -10.22561923
  H     14.20371969      8.49783696     -8.73968631
  H     14.22263012     12.87386720     -8.15205714
  O     13.54445876     14.93126282    -11.75646162
  H     13.21312097      9.28362151     -7.86251754
  H     14.30826941      9.94772787    -13.54649286
  O     14.51990606      8.58554143    -10.59862563
  H     14.08580509     11.72106266     -9.97785515
  H     15.48690722     10.96739532    -13.41625042
  O     16.94148297     11.49621972    -12.36261490
  H     13.16389184     11.62940892    -11.23859388
  H     10.22695361     11.16546103    -17.00180769
  O     10.29228470     11.67750282    -13.49325330
  H     12.34135255     10.68383861     -9.18797820
  H     11.46486386     10.66195072    -16.22206783
  O     15.02246851     12.67148778     -8.65446971
  H     10.96319014     10.13370710     -8.76691096
  H     15.46047100      9.82606455     -7.53944410
  O     14.67563509     10.77124494    -13.90039955
  H     15.71529708     13.49378722    -10.13070056
  H     16.70597534     10.21266978     -6.70558138
  O     10.50453831     10.81302467    -16.16067544
  H     16.26480588     13.06869471    -11.51461245
  H     12.12890796     14.39874860    -10.51713602
  O     16.22341064     10.43072822     -7.49810739
  H      8.63670115      9.46613218     -9.63833185
  H     11.81101390     13.78686656     -9.13433923
  O     11.41694466     14.03849313     -9.97664082
  H      9.44456592     10.67089652    -10.18370668
  H     10.16204094      9.05667776    -15.44097546
  O     10.23953076      8.20247730    -14.99672712
  H     13.08446551     13.38020518    -12.61910259
  H     10.27339908      8.39946928    -14.05120098
          69
 Energy    -250.24117795397524     
  O     17.22881502      8.06507264    -12.50536990
  H     16.66213946      8.83157353    -12.68356942
  H     13.58510284      7.91421279    -13.60544185
  O     12.86201335     13.11126105    -11.21335861
  H     17.91386616      8.36784577    -11.89568618
  H     12.75384498      9.95604053    -14.57893849
  O     17.92172143      7.10010398    -14.94596198
  H     13.20425149     13.18221859    -12.12424787
  H     11.70890465     10.70640004    -15.43509756
  O     11.42656435     10.76115633    -11.90124747
  H     12.63106664     13.99220168    -10.93330118
  H     15.72436174      9.32002531     -8.01042277
  O     15.69844518      6.94356976    -10.47711519
  H     18.07356614      6.15899177    -14.93553980
  H     17.09554686      8.63406910     -7.91636582
  O     19.02101344      9.08889697    -10.64079334
  H     17.66260064      7.35545916    -14.04271151
  H     14.14630484     11.94263999    -10.59607424
  O     20.48840489     10.31633029    -12.67759367
  H     11.60142184     10.74506663    -12.84976062
  H     14.52219679     10.54667539     -9.96494304
  O     17.49281896     11.19697344     -9.69426335
  H     11.79999072     11.59200305    -11.58257036
  H     16.86344085     12.05546444    -14.94713086
  O     11.67126235      8.54112223    -10.37553147
  H     16.39641771      6.82085119     -9.82294529
  H     17.22877586     12.50783910    -13.48885402
  O     15.89977281      8.69801003    -16.15842684
  H     16.15705994      7.27019121    -11.26490398
  H     18.49824736      7.80920804     -9.45969774
  O     13.29786804      6.92541431    -12.10477778
  H     19.65753314      9.44585401    -11.27326204
  H     18.72054969      6.66908091     -8.44189986
  O     13.83698457      8.60472511    -14.23374604
  H     18.49503674      9.83951689    -10.32240657
  H     15.25554807     10.53871776    -12.01977307
  O     12.23871660     10.77777417    -14.64507245
  H     21.40117544     10.54986758    -12.82453435
  H     15.91867212     10.93444808    -13.36136870
  O     16.63086890      9.45249950     -7.70532378
  H     20.13161120     10.02574077    -13.53596149
  H     19.02887991      8.64865050    -15.07716692
  O     14.85557552     11.30221312    -10.46994268
  H     16.60184285     11.36702836    -10.03338618
  H     18.80639933     10.10619881    -15.51364077
  O     16.50931795     12.44198664    -14.13638529
  H     17.33744771     10.72714415     -8.86204189
  H     16.77577360     10.19381392    -16.34687573
  O     18.04347769      7.19949149     -8.85481502
  H     11.55350291      9.33686668    -10.92465358
  H     17.39154843     11.24887984    -17.29645523
  O     15.57078676     10.18513477    -12.86194449
  H     10.80984778      8.31108378    -10.03769776
  H     14.70290363      8.25867640     -9.64289254
  O     19.41516090      9.53183524    -15.03361533
  H     16.54304950      8.04713636    -15.85036640
  H     13.26988359      8.80107884     -9.45229931
  O     17.35417453     10.97717555    -16.38300216
  H     15.11708610      8.58381943    -15.60426146
  H     19.19509849     11.72191610    -12.37517673
  O     14.18905099      8.94535246     -9.19379676
  H     12.67711535      7.40106920    -11.53820520
  H     18.18522681     12.10235952    -11.28270652
  O     18.45560695     12.31072816    -12.18501188
  H     14.05932083      6.73087141    -11.54626385
  H     13.31936537     12.31515201    -14.16505575
  O     13.77775945     13.05509393    -13.74837971
  H     14.43966161      9.19230907    -13.74901413
  H     14.72038369     12.94579742    -13.93180060
          69
 Energy    -250.23999959079916     
  O     18.84587809      9.28829007    -11.90701336
  H     18.34621683      9.98763419    -12.35134902
  H     13.42998293      6.24238540    -10.97967643
  O     15.77259592      6.42006824    -17.23034385
  H     18.34179306      9.08846043    -11.10810582
  H     15.94652361      7.68700751    -12.75063985
  O     12.92585378      8.67395149    -12.82885988
  H     16.42747916      7.02661367    -16.83903981
  H     15.98633663      8.61999950    -11.52072502
  O     13.43990150      8.06526189    -16.79048716
  H     16.10729799      6.16758218    -18.08634861
  H     19.93940358      7.02591486    -13.83598118
  O     16.85532869     10.85315007    -15.99123316
  H     12.68470587      9.57485565    -13.07177771
  H     19.01590891      8.02031078    -13.09548115
  O     17.53513330      8.10463115    -16.07926442
  H     13.88794407      8.66805096    -12.70144736
  H     12.03872238     12.04501784    -13.58479414
  O     13.56705886      8.22155277     -8.77311802
  H     12.94550617      7.53574641    -16.15261708
  H     13.37816367     11.61460920    -12.93770490
  O     13.73350809      3.58066768    -12.75694361
  H     14.20188065      7.52805837    -17.03767831
  H     14.70960172     11.48082484    -10.96617942
  O     16.90410615     10.85268357    -13.19706851
  H     15.88178985     10.77538941    -15.99231203
  H     15.52202803     11.70602465    -12.26524097
  O     11.19803369      4.95571193    -12.61650758
  H     17.08080877     11.51072944    -16.64292381
  H     12.58427732      7.37480646    -14.02818115
  O     14.81550864      5.18177488    -14.91574343
  H     17.35419350      9.05257519    -16.05419972
  H     11.86784678      6.00506322    -14.07484796
  O     12.57394309      6.69312525    -10.95841930
  H     18.09693432      7.90290173    -15.32275817
  H     13.87650836      9.72273998    -16.22904205
  O     15.60322044      8.52000701    -12.40213657
  H     13.03769476      7.75612942     -9.43209786
  H     13.64402949     10.83690539    -15.16485175
  O     19.03554951      7.32366480    -13.77544385
  H     14.29082054      7.61844991     -8.56202011
  H     14.70060451     11.16195227     -8.50562069
  O     12.68409015     11.34391825    -13.56601514
  H     12.81382975      3.87179291    -12.77594593
  H     14.26850465      9.80194154     -9.09947102
  O     14.68257439     11.90842331    -11.82991916
  H     14.13755169      3.92435222    -13.56433016
  H     16.11210657      5.72355946    -13.77907219
  O     12.42907868      6.59802891    -14.58666541
  H     16.96125586     10.95899112    -14.15468562
  H     17.50613252      6.34176003    -13.36205982
  O     14.20659962     10.57170194    -15.89897513
  H     16.41738708     10.02787575    -13.04301864
  H     16.29202245      9.49759631     -9.60392210
  O     14.80861433     10.59471184     -9.26549265
  H     11.56876953      5.54707653    -11.93982620
  H     16.62671870      7.99031751     -9.42916761
  O     16.64241777      6.05824200    -13.04084054
  H     10.32478037      4.71182349    -12.32085879
  H     15.54863791      5.93295261     -9.45068682
  O     16.87452983      8.78962751     -9.91071703
  H     13.99373384      5.67980821    -14.79440008
  H     16.15581209      5.84251429     -8.03171807
  O     15.82191745      6.45842025     -8.67875649
  H     15.16391121      5.45552897    -15.77397352
  H     14.57080204      4.50840196    -11.44027955
  O     15.02404963      5.22948396    -10.98014660
  H     12.62895040      7.44287603    -11.57159413
  H     15.69055276      5.54608370    -11.60741933
          69
 Energy    -250.23997503999715     
  O     12.72593834     12.95733814    -12.93615709
  H     12.54803939     12.05152037    -12.65031511
  H     18.73321985     11.39790340    -14.81424573
  O     18.62829766      7.84883691    -10.01327867
  H     13.20329218     13.35106734    -12.19731135
  H     12.55035695      7.37292047    -15.95809592
  O     17.47980834     11.20731786    -11.85481233
  H     17.85533305      8.41885189     -9.91369978
  H     12.87299549      7.86065805    -14.52975097
  O     12.67664095      7.69377172    -12.77681446
  H     18.28791809      7.00162603    -10.32804734
  H     16.03638953     10.86105158    -12.90996112
  O     15.32174717      7.16843863    -11.70162383
  H     18.15516584     10.79989260    -12.41390948
  H     15.02000555     11.22203939    -14.04337296
  O     17.60227263      5.53942580    -11.35985210
  H     17.16600269     10.54523750    -11.22416144
  H     13.98070741      9.51440510    -16.33338127
  O     14.32484088     12.49838760    -15.14555015
  H     13.43771872      7.33335424    -12.30646239
  H     14.34400548     11.02143302    -16.28482376
  O     18.17661189      8.13773340    -15.30866398
  H     12.57823398      8.59449931    -12.43602714
  H     14.23381128     12.08653534     -9.83907705
  O     16.23962035      9.35101889    -10.19148254
  H     15.99560361      6.50461531    -11.50995429
  H     13.77116101     11.26789996     -8.61342621
  O     17.20783479      9.96057882    -17.25872577
  H     15.47038117      7.42727127    -12.62398316
  H     19.94957742      8.26297303    -11.07954003
  O     19.26353819      6.41449176    -13.33334071
  H     18.16203735      5.78745845    -12.11751256
  H     21.47183937      8.40182659    -11.32177394
  O     18.24307360     11.91714763    -15.46285195
  H     17.74704662      4.60980549    -11.20545760
  H     17.27891228     13.30017731    -15.11577448
  O     13.12814652      7.94982951    -15.46534438
  H     15.05683641     13.12792081    -15.13344782
  H     16.99447550     14.79540144    -15.39496106
  O     15.27620899     10.53975867    -13.40987163
  H     13.69360668     12.76489359    -14.46002086
  H     16.58278030     13.96482134    -13.02700833
  O     14.54146135     10.18756729    -16.73371932
  H     18.00918616      8.66435040    -16.09875932
  H     16.98439326     12.94142460    -11.94026099
  O     14.15623060     11.18624628     -9.48309571
  H     17.29688041      7.98419409    -14.92746543
  H     15.12529450     13.78629890    -11.12983543
  O     20.62772628      8.40497886    -11.76448411
  H     15.53709142      9.92502759     -9.86610487
  H     14.17062115     14.59047216    -10.21669751
  O     16.67352752     14.03730705    -14.91408001
  H     15.82434819      8.63372262    -10.69299673
  H     18.91635573      9.37279221    -14.18080123
  O     16.53283886     13.78652865    -12.08096479
  H     16.25181025     10.00679472    -17.07983567
  H     19.87885797      9.57801613    -12.98699252
  O     14.30536501     13.72980147    -10.60451333
  H     17.30777732     10.00708825    -18.20611738
  H     13.21001567     10.52306382    -11.00405419
  O     19.29246551     10.04551812    -13.59494291
  H     18.96486052      6.87983881    -14.12485156
  H     13.76513807     10.35363316    -12.43157849
  O     12.94797017     10.31833764    -11.90863400
  H     19.85625880      7.02334161    -12.87519165
  H     15.56815079      8.93547119    -14.03779773
  O     15.66346498      8.00715655    -14.30870873
  H     17.90917952     11.28863708    -16.11522886
  H     14.87553199      7.80468433    -14.82649450
          69
 Energy    -250.23991428493866     
  O     -0.87687263      0.23750791      0.10077731
  H     -1.76147804      0.59951957      0.23888303
  H     -1.11850566      0.17265696      4.81825169
  O     -2.03581354      4.51879893     -0.55123135
  H     -0.95028338     -0.72433085      0.11431827
  H     -2.61195392     -0.67108191      3.35014138
  O     -2.80482191      3.52780130      1.96268687
  H     -2.28143886      5.34005460     -0.96971972
  H     -3.59807300     -1.40614323      2.39362872
  O      2.53180299     -0.69220870     -0.56503192
  H     -2.07356764      3.83462595     -1.24278397
  H     -1.62463513      2.19427342      6.48165321
  O     -3.59463006     -2.73022778      1.01770311
  H     -2.63691874      3.98615063      1.12914041
  H     -2.38689192      1.97549093      5.15459103
  O     -0.49314174     -0.63871719     -3.47892956
  H     -1.94390827      3.42466020      2.39453251
  H     -3.46034368      0.52440423      1.54003917
  O     -4.38267220     -0.78491781     -0.96313512
  H      2.19263010      0.19489867     -0.74487345
  H     -3.26850296      2.00376374      1.11697014
  O     -2.01882535      2.65427393     -2.52637740
  H      1.97409082     -1.30538399     -1.05867552
  H     -3.68446666      2.58120094      3.42122385
  O      1.14332955      1.73160344     -0.98604361
  H     -3.84989222     -3.64259899      1.12943359
  H     -3.93050912      1.09571134      3.78447182
  O      0.73691932     -2.46251590     -1.92763560
  H     -2.66698793     -2.73369533      0.72404068
  H     -0.28735931      4.22022858      0.16970834
  O     -0.97158898     -2.56141330      0.29210067
  H     -0.07966876      0.21646510     -3.64662833
  H      0.38382325      3.85641402      1.50518882
  O     -0.96468159     -0.50868240      4.15325218
  H     -1.43765682     -0.45886829     -3.38706637
  H      1.23095557     -2.20577019      2.55222118
  O     -3.47837672     -0.60812631      2.92270170
  H     -4.24022782     -1.54667541     -0.39180252
  H     -0.09077609     -2.07904073      3.34162718
  O     -1.50940685      1.92363003      5.57476362
  H     -4.18721056     -0.01434968     -0.40846617
  H      1.47725756      0.21487624      2.28995286
  O     -3.41162368      1.11410490      0.77238574
  H     -1.17097070      2.53712969     -2.97203785
  H      0.17375781      0.59021518      1.52244210
  O     -3.83080661      1.97867543      4.16199332
  H     -2.51013305      1.84161390     -2.69217816
  H     -0.63032099      2.90186987      4.11449528
  O      0.55177503      3.94421980      0.56049354
  H      0.37545767      1.19243951     -0.73793248
  H      0.11027293      2.33357039      2.89858523
  O      0.36218646     -2.61024052      2.67558515
  H      1.09514186      2.53011927     -0.44163232
  H      0.86689541      1.95603932     -2.68887825
  O      0.68177524      0.75810704      2.32951266
  H      0.28335721     -1.82251150     -2.50653868
  H      1.21738913      2.46883836     -4.10698152
  O     -0.33134541      3.13250574      3.22744906
  H      1.06642227     -3.15683557     -2.49224146
  H     -3.63573286     -0.26100158     -2.42885316
  O      0.54861467      2.00802826     -3.60820298
  H     -0.46341584     -2.65825756      1.11360217
  H     -3.83648216      0.09427788     -3.91760208
  O     -3.19939551      0.12476771     -3.20816705
  H     -0.37483877     -2.66869335     -0.45850881
  H      2.73818827     -1.01573294      1.11379453
  O      2.73698434     -1.12843550      2.08207500
  H     -0.38291295     -0.08786581      3.50175470
  H      3.64823847     -1.17069683      2.35768640
          69
 Energy    -250.23930517338709     
  O     12.10405610      9.23742585    -10.44197802
  H     12.77804025      9.94294675    -10.47295664
  H     20.09341866      7.35166854    -13.30554828
  O     16.13387928      4.12653489    -11.57607471
  H     11.30284946      9.63937376    -10.11763750
  H     16.38680302      9.93549764    -15.36532209
  O     13.80758481     12.58917104    -13.04560927
  H     16.46538397      3.27320091    -11.31132007
  H     15.01521974     10.69766368    -15.40574334
  O     16.65353753     12.49032557    -13.60137443
  H     16.63520749      4.39046159    -12.36924929
  H     15.99108077      8.38595877    -13.35712678
  O     12.48675332      7.00913973    -17.13344833
  H     14.75006019     12.71891465    -13.20502381
  H     15.65746634      7.77520322    -11.95468763
  O     13.12890034      6.29506179    -14.48617035
  H     13.49541371     12.04565441    -13.78073455
  H     12.86604080      7.64454474    -10.04571699
  O     13.23007833     10.66500478    -15.05034761
  H     17.20699625     13.20946090    -13.89548932
  H     12.88413557      6.47315507     -9.04410397
  O     15.04535625      9.52235046    -18.06925307
  H     16.48428860     11.93327788    -14.37952964
  H     16.13655392      5.79337988    -10.79066834
  O     17.46739860      5.03840826    -13.71887388
  H     12.58369396      6.66117976    -16.23673652
  H     15.13705182      6.77864927    -10.13807089
  O     17.07087579      8.38479387    -14.81205324
  H     13.31054191      6.80043935    -17.59034327
  H     14.31361794      4.54746400    -11.96171609
  O     15.68992718      6.14315385    -15.59564208
  H     13.17734398      5.68508334    -13.73617581
  H     13.28942574      5.53586205    -11.38349458
  O     19.14110140      7.33434260    -13.26547569
  H     12.90460635      7.15284817    -14.10038927
  H     16.75759259     11.32820201    -12.08728809
  O     15.95607125     10.76199915    -15.63181955
  H     12.80041361     10.42195418    -15.87913077
  H     16.14479931      9.93306018    -11.84171933
  O     15.39510259      8.44461969    -12.59954597
  H     12.98890716      9.98964269    -14.39988653
  H     17.58935641      7.78677539    -10.58129506
  O     13.28308897      6.79065771     -9.85152817
  H     14.09977838      9.69653744    -17.97628953
  H     17.87347045      9.25047469    -10.97709304
  O     16.03315559      6.70660928    -10.49087679
  H     15.47780131     10.03050768    -17.37316873
  H     15.43436712      6.54268415    -19.11019367
  O     13.43951377      4.92706266    -12.11545042
  H     18.09778340      5.75400346    -13.57536325
  H     15.18086177      7.78362052    -18.22022515
  O     16.64899489     10.64354922    -11.41592698
  H     16.88293373      5.31872995    -14.43637131
  H     13.77157464     11.72421364    -11.44770228
  O     18.27922167      8.37537365    -10.91595370
  H     16.62647359      7.60118659    -15.16854767
  H     14.88770431     11.04263864    -10.64949471
  O     15.13659654      6.81077431    -18.24530782
  H     17.88198950      8.09319135    -14.37681554
  H     12.24348522      8.72288569    -17.34761961
  O     13.93385216     11.17475524    -10.66586369
  H     14.81414294      6.17952386    -15.18467960
  H     11.48963083      9.88934648    -18.03162523
  O     12.24584917      9.68704877    -17.48779600
  H     15.56369118      6.25607725    -16.54628013
  H     12.33436326      8.89641547    -12.31981857
  O     12.76974447      8.71701802    -13.15874683
  H     18.88916983      7.71015580    -12.40289258
  H     13.71743252      8.64042823    -12.95145232
          69
 Energy    -250.23829268053620     
  O     12.75338855      9.20293896    -15.22254478
  H     12.30816228      9.10253363    -14.37197226
  H     16.69575992      4.51854731    -14.91532340
  O     16.21295834      5.59405507    -12.01938003
  H     13.35405024      9.95221711    -15.14507447
  H     19.29418186      7.55262692    -14.01921794
  O     17.78274166      9.77160756    -11.43684145
  H     15.47497408      5.82786895    -11.44051365
  H     19.05415613      6.10889246    -14.46682858
  O     17.12706919     10.30816891    -16.34508312
  H     17.01387043      5.99930500    -11.65975517
  H     15.34138122      7.42770329    -14.57355030
  O     13.38714806      4.61843020    -14.85211200
  H     17.75410857      9.96001846    -10.49046336
  H     15.99307770      6.91388097    -13.24866853
  O     14.79755065      9.33191861     -8.39623668
  H     16.89251143      9.95049858    -11.77332606
  H     10.46250554      8.61390275    -12.71966592
  O     14.07083595      6.42877283    -10.48423571
  H     17.77119465     10.73134882    -16.90804747
  H     11.67151386      7.64920256    -12.76310187
  O     15.26892332     10.03740934    -12.61334153
  H     17.61286923      9.96296725    -15.57499946
  H     18.11578675      6.97361924     -9.41669925
  O     16.71441071      7.47762186    -17.11420050
  H     12.96939900      3.84841212    -15.22818715
  H     17.77791306      8.15301752     -8.48868251
  O     15.20378012      6.52344697     -7.92790255
  H     14.31895524      4.38232097    -14.68967886
  H     12.86765361      5.96646604    -11.88621378
  O     18.04196083      5.39358029    -15.92860262
  H     14.81985283      8.40710405     -8.12060792
  H     12.65560980      5.51448008    -13.35903339
  O     15.99132428      4.15552144    -14.36573109
  H     14.20785420      9.36831234     -9.16080712
  H     18.28946408      9.53016755    -13.25806662
  O     19.49155385      6.63636790    -13.78738343
  H     14.37898302      6.33595039     -9.57393541
  H     17.46468867      8.54033920    -14.10538711
  O     15.89391500      7.68195768    -13.82488701
  H     13.86057732      7.36549214    -10.60524461
  H     18.24088972      7.94580367    -11.31997913
  O     11.41488608      8.59038628    -12.76378145
  H     15.09357586     10.63235131    -13.35029663
  H     18.94592847      6.77497646    -12.05729430
  O     17.75786467      7.18984754     -8.54521989
  H     15.41007700      9.16194548    -13.01131754
  H     17.63615914     10.69838961     -8.01312932
  O     12.27479224      6.03902967    -12.64500268
  H     15.79207330      7.29885265    -16.87388006
  H     16.45125910      9.86843873     -8.56259509
  O     18.21763521      9.15443299    -14.14459006
  H     16.83963250      8.42118755    -16.97973232
  H     13.83636209      6.21807566    -15.69840430
  O     18.46476955      7.00786644    -11.24968719
  H     16.14446787      6.67998684     -8.12853499
  H     13.61751291      7.76859954    -15.79824183
  O     17.40380891     10.04479849     -8.66717200
  H     15.17540331      5.98565129     -7.14152772
  H     12.60424595      9.04008958    -11.38165176
  O     14.23376814      7.04592032    -15.99291711
  H     18.50084914      4.90942334    -16.61122931
  H     14.06008189      9.54169265    -11.40209139
  O     13.38915018      9.14102405    -10.82959305
  H     17.60656769      6.14348365    -16.36900373
  H     14.62172403     12.15144658    -15.42877639
  O     14.80086988     11.27081262    -15.10694496
  H     16.13133300      4.51188863    -13.47625678
  H     15.57334425     10.94804539    -15.59713790
          69
 Energy    -250.23820801560103     
  O     -6.07895593      1.10023053     -0.46218371
  H     -5.45081999      1.83100077     -0.35964200
  H     -2.17343250     -2.77128065      3.89904387
  O     -4.23054099      2.28838781     -4.38050370
  H     -6.32393190      0.84020238      0.43491051
  H     -0.55366102      1.58259156      3.48119209
  O     -6.34605341      0.44920532      2.26862702
  H     -3.78830043      1.50778578     -4.73520923
  H      0.76578328      2.04192929      4.14208283
  O     -0.54436155     -1.92743692      1.34428682
  H     -5.06721282      1.97458994     -4.01539098
  H     -0.53782661      3.61872308      2.56243915
  O     -1.94828289     -1.02239387     -0.88679043
  H     -5.73403389      1.07511300      2.69532765
  H     -0.77778164      4.09106795      1.12085215
  O     -2.86666268     -0.20103952     -4.98142156
  H     -7.10956911      0.38504720      2.83682900
  H     -3.50551078      2.28538233      0.29349802
  O     -4.68213134     -1.35056986     -0.85293346
  H      0.14077152     -1.24525950      1.38218766
  H     -4.12117577      3.64544150      0.68106173
  O     -1.21415240      0.73375778     -2.93733286
  H     -0.99689643     -1.79014544      0.50149668
  H      0.96355633      0.95458158      1.85278505
  O     -2.60601650      3.10236488     -2.33026035
  H     -2.89917298     -1.19534444     -0.93886691
  H      1.21239492      0.60804916      0.36037956
  O     -0.50408999      3.27720894     -0.51124480
  H     -1.69517105     -0.52290635     -1.67228551
  H     -5.63671869     -0.47298749     -3.59181630
  O      1.11914910      1.23396078     -1.51495469
  H     -2.76960621     -0.64979650     -5.81679808
  H     -4.86793665     -1.45999251     -2.70501753
  O     -2.34867776     -2.03255648      3.32295961
  H     -3.60116057     -0.63694935     -4.51202251
  H     -2.21023978     -0.21040886      3.51076416
  O      0.26786519      2.07985135      3.32878399
  H     -4.72006131     -1.73211212      0.03737033
  H     -2.15353102      0.90877582      2.43714909
  O     -1.02813667      4.26397486      2.03903993
  H     -5.12632538     -0.49574706     -0.78729397
  H     -5.28585070     -1.16260030      2.08414789
  O     -4.13160201      2.96608721     -0.00305667
  H     -1.65891696      0.36823908     -3.71296824
  H     -3.99391034     -1.97712226      2.35637013
  O      1.20679294      0.24160573      1.25140772
  H     -1.69519219      1.54050312     -2.70188062
  H     -2.02106148      0.43252066      0.20196712
  O     -4.98732234     -1.18641109     -3.62456260
  H     -3.20665778      3.13769724     -1.57293306
  H     -1.47356537      1.88831635      0.37634428
  O     -2.13051948      0.74479044      3.39477382
  H     -3.16186416      2.96702419     -3.11168450
  H     -3.90123025      5.48435269      2.50989213
  O     -4.78319584     -1.93711709      1.80369226
  H     -1.15226448      3.39270712     -1.22064805
  H     -2.74044194      4.50674641      2.21340372
  O     -2.12344319      1.25292335      0.70197999
  H      0.20243391      2.72037814     -0.86097097
  H     -7.50332276      1.34256163     -3.36304861
  O     -3.71092175      4.58864925      2.24513554
  H      0.37614243      0.97060526     -2.08239082
  H     -6.49972401      1.14987362     -2.20608578
  O     -6.58987637      1.14248134     -3.17327549
  H      1.91002985      1.14161529     -2.04116632
  H     -4.33786624      3.00386078      3.11039548
  O     -4.56997243      2.12768688      3.43895879
  H     -1.67262319     -2.05765392      2.61925215
  H     -3.73279071      1.66518893      3.57981307
          69
 Energy    -250.23819426751248     
  O     18.03119162      8.47602534    -10.34879001
  H     17.20001031      8.95659319    -10.47293965
  H     18.65945342      9.51008108     -9.02190907
  O     14.27283200      8.23829598     -9.13505516
  H     17.82606473      7.55317083    -10.15896246
  H     19.49894135     10.16175413    -12.49243090
  O     20.26244046      3.29603029    -12.34426959
  H     13.52576884      8.34668606     -8.55241927
  H     18.91954249      8.92905283    -11.75799176
  O     21.36697834      7.40835749    -11.96597412
  H     14.96850082      7.79595359     -8.61649082
  H     21.00581495      4.68575695    -13.46958355
  O     18.92543574      5.88197102    -15.48388785
  H     20.46002011      2.36360440    -12.35381333
  H     21.36065451      6.18168233    -13.34969877
  O     22.62594310      8.43582216     -9.66227886
  H     19.40738794      3.40729494    -12.79810468
  H     18.21799380      4.40159257    -14.42841262
  O     16.27703738      6.98853194     -7.80732549
  H     21.90539258      7.79595090    -11.26523335
  H     17.28886226      4.29186585    -13.21107406
  O     20.90946790      6.94745843     -8.19212606
  H     20.73275690      8.08328232    -12.24500288
  H     15.14492165      9.48288325    -10.17206949
  O     18.70268252      8.05941647     -6.66486791
  H     19.76332709      5.78455376    -14.99564748
  H     15.48166530      9.77129344    -11.66796552
  O     17.54110556      5.75755336     -9.92583820
  H     19.13602066      5.79592158    -16.40979624
  H     15.93574968      8.62190256    -13.66440886
  O     17.52519961     12.03486237     -9.93263520
  H     22.04055200      7.93110318     -9.06851840
  H     14.75667653      9.50278482    -14.13380065
  O     18.83172560     10.19140850     -8.35202205
  H     23.51642712      8.30340499     -9.34798625
  H     20.47593033     10.68411500     -9.11898837
  O     19.34667779      9.21371989    -12.58384724
  H     16.66158027      6.39490371     -8.46932583
  H     21.76172837     10.10548162     -9.73994738
  O     21.15013226      5.48659364    -13.98809164
  H     17.02741902      7.35345392     -7.32556358
  H     14.03683849      7.33019030    -10.82181898
  O     17.97251671      3.81578150    -13.70250699
  H     20.14297779      7.20649229     -7.66952970
  H     14.22657995      7.71461379    -12.30345081
  O     15.73319339      9.97825608    -10.75900042
  H     20.62259495      6.26112604     -8.80874860
  H     17.91731128      7.14261234    -14.58596763
  O     15.13142229      9.07803853    -13.36609661
  H     18.85427847      8.25229480     -5.74254327
  H     18.15258738      8.28307037    -13.55743374
  O     21.18816285     10.88051750     -9.74241596
  H     18.75081558      8.90793025     -7.13843327
  H     20.16365324     12.66517228    -12.17143824
  O     14.02548652      6.97360028    -11.71850367
  H     18.46872617      5.52035467    -10.05838474
  H     20.34294670     11.56955071    -11.09436946
  O     17.46850036      7.73542353    -13.96961206
  H     17.08535283      5.61461654    -10.76697142
  H     15.44331880      5.96120526    -12.16594584
  O     19.76476235     11.87444439    -11.81825995
  H     16.82177393     11.45153842    -10.24816465
  H     16.75319395      6.36180600    -12.89485212
  O     16.33005397      5.64948748    -12.39759757
  H     18.18232650     12.06801238    -10.63809159
  H     20.57058739      6.06539619    -10.96667835
  O     20.22054589      5.34201596    -10.42745089
  H     18.35469292     10.96985661     -8.67219112
  H     20.27904903      4.54755451    -10.97276820
          69
 Energy    -250.23805079385261     
  O     18.69458862      4.65256116    -11.07763725
  H     17.98685132      4.02623141    -11.26836200
  H     16.23535569      9.00670103    -15.09949859
  O     17.10817443     10.31414664    -14.09082260
  H     18.48256888      5.05734890    -10.22750162
  H     12.11166465      4.74660899    -13.36751752
  O     12.87112203      7.45447910    -12.24831642
  H     17.69261091      9.83640283    -13.47524893
  H     13.54661978      4.45064093    -12.88717856
  O     11.52112444      4.92866083    -15.05306641
  H     17.58062117     11.09550039    -14.36567957
  H     14.64970899      7.14713805    -11.81362624
  O     14.70137149     10.51548905    -12.52207880
  H     12.58346698      7.67843214    -11.35435866
  H     15.43901940      6.09343419    -10.97141683
  O     17.19069026      8.32235668    -10.03212298
  H     12.72918556      6.50658856    -12.38241365
  H     20.32873545      6.02208427    -13.41559622
  O     18.64933308      8.93332965    -12.35173773
  H     12.23282046      4.49992172    -15.54439364
  H     19.25970394      5.69183946    -12.34591456
  O     13.92588843      3.94667060    -16.32384415
  H     11.44781132      5.81639796    -15.42458706
  H     13.25475036      8.52605509     -9.59309492
  O     17.73175931      5.86541238     -8.66241638
  H     15.54533975     10.52875248    -12.98899379
  H     11.82040685      8.39995840     -9.02956711
  O     11.63957852      7.56060420    -16.22195644
  H     14.06425050     10.18781845    -13.16618800
  H     13.04353537      8.43925297    -13.67203133
  O     14.17352529      6.54044208    -17.05746578
  H     17.49654254      7.62438988     -9.44229340
  H     14.07733849      8.72437967    -14.80400621
  O     15.74455749      8.23677621    -15.41393611
  H     16.59426374      7.88129345    -10.65901442
  H     15.51866121      9.28396594     -9.74709596
  O     12.67489816      4.72664291    -12.57837894
  H     18.25255131      8.82663969    -11.47674012
  H     14.60623407      9.96295218    -10.78863188
  O     15.52938423      6.79606720    -11.62759939
  H     19.01149752      8.07278161    -12.59188180
  H     12.59009931      4.87608474    -10.67444685
  O     19.47343170      6.28602296    -13.08770255
  H     13.96725628      3.39261165    -17.09863757
  H     12.61373565      6.00996937     -9.61117135
  O     12.47788912      7.93837779     -9.54303405
  H     14.08517956      4.86021380    -16.62420342
  H     17.75791276      6.17267706    -13.78920110
  O     13.20020894      8.96612364    -14.47297368
  H     16.87251022      5.47236021     -8.89724667
  H     16.39647222      6.44014203    -13.09148626
  O     14.60831187      9.55384615     -9.90968176
  H     17.89003917      5.65289982     -7.74615769
  H     15.69664426      4.01439029    -10.26158194
  O     12.78714115      5.07005359     -9.74782699
  H     10.97141091      8.09486786    -16.64325744
  H     14.50032000      4.77771112     -9.58682073
  O     16.80387502      6.15653889    -13.92718856
  H     12.10946214      8.14120617    -15.59895826
  H     16.41888857      1.97614312    -11.61315696
  O     15.46510157      4.74743639     -9.67769326
  H     14.78657161      7.15787009    -16.63867493
  H     15.96006743      3.21260070    -12.41801755
  O     16.40630562      2.93014605    -11.60213715
  H     13.29119192      6.90835590    -16.92008525
  H     14.74063888      3.81725943    -14.67165656
  O     15.15457148      3.95846146    -13.81091906
  H     16.12756473      7.47556530    -14.95424773
  H     15.75393006      4.71256695    -13.91976600
          69
 Energy    -250.23736763600067     
  O     -4.51450901      0.49090589      0.83731206
  H     -5.14891507      1.09214500      0.45540818
  H      1.93514661     -0.93048387      2.48879252
  O     -1.64998708     -1.05378648      7.15227057
  H     -3.63670024      0.78472823      0.53635075
  H     -1.29057485     -1.08572799      2.01086460
  O     -0.00997423      1.79279740      1.90149637
  H     -1.25525083     -0.66176225      7.92757257
  H     -1.20239099     -1.47693007      0.50121116
  O     -4.26494801     -0.47019408      3.46534469
  H     -0.96551172     -1.05106086      6.46274509
  H     -1.52542703     -4.94037413      1.93916654
  O      0.10417600     -1.22662660      5.04604725
  H     -0.61641989      1.30184360      2.48514509
  H     -1.67094737     -3.38677533      1.94251687
  O     -2.13787223     -3.88177368      6.73353959
  H      0.07843776      2.66709486      2.27519638
  H      0.68504895     -2.18530990      1.42756440
  O     -4.87203719     -3.62986702      5.81947806
  H     -4.46007346     -0.04621113      2.62024781
  H      1.75078653     -3.24119584      1.82123549
  O     -2.04736883      1.20927255     -0.04575901
  H     -4.32591226     -1.42615779      3.31781567
  H     -3.58837396     -3.65498702      2.85514592
  O      1.56291498     -4.76683958      2.72928020
  H      0.81052151     -0.87289431      4.48645702
  H     -4.66795951     -3.48269630      3.95690783
  O     -0.53992370     -4.62536646     -1.14434477
  H      0.03267572     -2.17749438      4.87519319
  H      1.56032169     -2.43317666     -0.41776447
  O     -0.38427176     -6.12628410      1.09422518
  H     -3.05434320     -3.93418232      6.43713179
  H      2.14917831     -2.39382886     -1.84794089
  O      1.79699136     -0.20582272      3.11346087
  H     -2.01000045     -2.97076042      7.02506188
  H     -1.08211094     -0.33560168      4.02039933
  O     -1.07702950     -1.80189701      1.40018859
  H     -5.62146417     -3.94197136      6.31989553
  H     -2.53444992     -0.03365647      3.49542697
  O     -1.97508370     -4.20319805      2.36908052
  H     -4.76576371     -2.68474423      6.03234082
  H     -1.77708554     -1.75043751     -1.58936712
  O      1.62510156     -2.40707974      1.34465501
  H     -1.30856132      1.49089404      0.50565427
  H     -0.25505289     -1.44940745     -1.46821760
  O     -4.43163138     -3.22166709      3.05847578
  H     -1.70041834      0.52639063     -0.63662660
  H     -3.52832138     -2.93631829     -0.92753354
  O      1.33037842     -2.45484275     -1.36322675
  H      1.05089504     -4.55895816      3.52263069
  H     -3.51830828     -3.42921372     -2.39195467
  O     -1.59597913      0.14552963      3.35706931
  H      0.99701546     -5.33710989      2.19431577
  H     -3.45292164     -0.89558718      6.55455501
  O     -1.13488396     -1.07252488     -1.33861978
  H      0.13676559     -3.95446013     -1.29267649
  H     -4.37883869     -0.63099882      5.33730118
  O     -2.94693972     -3.18235262     -1.66926184
  H     -1.38926678     -4.20114934     -1.31903868
  H     -0.90615078     -4.04829116      5.42286892
  O     -4.35777633     -0.99517416      6.23244516
  H     -0.46270509     -7.05311070      0.88573187
  H     -0.95031146     -4.03287190      3.87722265
  O     -0.35915976     -3.92140371      4.63433818
  H     -0.40420916     -5.64280967      0.24877693
  H     -4.57246437     -1.38128536      0.46767313
  O     -4.53290764     -2.33784606      0.34779641
  H      1.36896410      0.49761295      2.61352799
  H     -4.62725912     -2.72510849      1.22662777
          69
 Energy    -250.23697763979692     
  O     12.87569840     11.79523201    -15.91146904
  H     12.15657428     11.42299552    -15.37590639
  H     15.48275952      6.64216414    -18.75106534
  O     15.05613101      7.50296371    -13.78916623
  H     13.29536955     12.50004251    -15.40564160
  H     18.35014380      9.90425561    -12.26366657
  O     15.62811437     10.65360941    -10.48618850
  H     14.95351329      8.36989348    -14.21224493
  H     17.75864270      8.48908217    -12.10107178
  O     17.01213217     12.66426848    -13.99931007
  H     15.50913323      7.64724945    -12.94762106
  H     16.84156169     10.59648821    -16.90280238
  O     12.77866457      8.32807863    -17.36598861
  H     15.05668366     10.94159486    -11.21618266
  H     17.83752179     10.04109704    -15.82933657
  O     13.31690104      9.62778390     -9.29701885
  H     16.49303996     11.03312213    -10.68273280
  H     14.12472240     10.44712625    -15.35759008
  O     12.43805024      7.35734551    -12.92690560
  H     17.15774748     12.08692693    -14.76261120
  H     15.66535946     10.25196201    -15.24420697
  O     14.01066622     11.30928506    -12.57991029
  H     16.14902809     13.07032729    -14.12763583
  H     11.10831742     10.39832799    -13.44044110
  O     16.74835779      6.80469327    -15.89010463
  H     12.80848139      9.18081267    -17.81505752
  H     10.92191112      9.61619007    -14.74957153
  O     13.74048671      6.95843336    -10.37190445
  H     13.61941556      7.89971157    -17.56941553
  H     10.32028800      7.34146745    -15.72440788
  O     18.85094299      8.61056272    -15.21760470
  H     13.20234597      9.85725212     -8.37776621
  H     11.68872864      7.97030606    -16.07070763
  O     15.32285887      7.32913986    -18.10967091
  H     14.16484937     10.01074632     -9.57402242
  H     17.63035492     12.05623417    -12.49010700
  O     18.42419055      8.99696653    -12.58258288
  H     11.88646461      7.39342258    -13.71778115
  H     18.69061971     12.23587823    -11.37945317
  O     17.21450184     10.75337124    -16.02135013
  H     13.35143549      7.31884180    -13.24906670
  H     16.00708688      8.88475053    -10.97604342
  O     14.81694358     10.00973046    -14.84886021
  H     13.19732582     10.85586988    -12.32153545
  H     15.43110718      7.45653210    -10.88988609
  O     11.00258647     10.51048636    -14.39226822
  H     14.38223569     10.81925033    -13.32982707
  H     15.01786673     10.48399096    -18.46974527
  O     11.04908855      7.82917064    -15.34950320
  H     16.16139882      6.88492114    -15.12546025
  H     15.77035212      9.15408841    -18.32136095
  O     17.97354174     11.67427118    -11.66204678
  H     17.51749560      7.35251879    -15.69414314
  H     12.15937835      9.77439796    -10.83501739
  O     16.15801909      7.97492617    -11.26433477
  H     13.17543974      6.91969838    -11.15377116
  H     12.04108895      8.93544153    -12.13323291
  O     15.89617553     10.11198105    -18.32751319
  H     13.49542528      7.76788227     -9.90753494
  H     14.10139692     12.84974654    -13.44848298
  O     11.85616953      9.80745765    -11.74972619
  H     19.77722842      8.43420802    -15.35913527
  H     13.92149232     14.36354726    -13.71533429
  O     14.23024421     13.55178174    -14.11057386
  H     18.72934059      8.71962078    -14.25692182
  H     12.65932668     11.47076805    -19.08744758
  O     13.15241929     10.94259147    -18.46540589
  H     15.84780173      7.10222945    -17.32141144
  H     13.01920496     11.34327914    -17.58842915
          69
 Energy    -250.23670428703286     
  O     12.18812565     10.56372294    -10.25441284
  H     11.46838778     10.55370638    -10.89791718
  H     16.60838476      6.28617731    -16.60111246
  O     13.18944143      8.09957964    -15.12776282
  H     12.96502010     10.88108383    -10.73269704
  H     16.76579785     11.76575538    -13.95595838
  O     15.88574418      8.97594806    -11.37260053
  H     13.33111924      7.99607338    -16.07851004
  H     16.71185228     13.25657188    -13.54580492
  O     17.48796146      9.34751607    -16.99097027
  H     14.06635837      8.27872795    -14.75211131
  H     15.71501039      8.54155498    -13.12683856
  O     12.42168565     10.50695311    -14.02797016
  H     15.31518904      8.27239331    -11.03531877
  H     16.27791279      9.12078977    -14.43337197
  O     15.97345331      4.87452576    -11.42360661
  H     15.33640280      9.76376389    -11.49142391
  H     11.91571429      8.09446696     -8.27469364
  O     12.72770308      6.31117226    -13.08814090
  H     16.73726023      9.83743018    -17.35324485
  H     12.20584604      8.99240666     -9.50211056
  O     15.12256486     10.63026578    -17.90164507
  H     17.31879510      8.42296425    -17.20316037
  H     17.74380936      5.86708851    -13.59786061
  O     14.55035169      4.19361589    -13.61468570
  H     12.57712803      9.65212626    -14.45551773
  H     19.05757885      5.34887817    -12.97325441
  O     17.69130615     10.40144556    -14.49033146
  H     11.60050617     10.43040667    -13.52764833
  H     11.26231540      6.99591340    -12.13762189
  O     14.09508799      7.97930301    -17.71464801
  H     16.81021886      5.27434163    -11.68716775
  H     11.06778854      7.57018324    -10.71729721
  O     16.65760691      6.64022496    -17.50378838
  H     15.43610776      5.57180000    -11.02217674
  H     18.56051278      7.81272815    -12.52039905
  O     16.17105154     12.48056176    -13.66547276
  H     12.79831322      6.90927618    -13.84692761
  H     17.69888244      8.91084763    -11.88992754
  O     15.67949530      8.44841191    -14.08804157
  H     13.21130058      5.51036408    -13.32080996
  H     16.12895808      6.80751096    -14.58908135
  O     12.16051917      8.06848325     -9.19541719
  H     15.01428988     11.22555565    -18.63871374
  H     15.73222305      5.29703061    -14.54879418
  O     18.30239532      5.90873591    -12.80553949
  H     14.78623687     11.09751759    -17.11638145
  H     13.50589503     11.51109864    -15.17221012
  O     10.65628818      7.51041845    -11.58825249
  H     14.36586372      3.26024065    -13.67463438
  H     14.87928584     12.20180755    -15.03815160
  O     18.50082775      8.76857857    -12.41310200
  H     15.05094337      4.33342377    -12.78930086
  H     13.52974125      7.23546127    -10.09653457
  O     16.40562472      5.91624576    -14.85764301
  H     18.13358950      9.83626853    -13.83911647
  H     13.66416098      6.75148608    -11.56268284
  O     14.23227547     11.89181490    -15.68262877
  H     17.81767715     10.04736647    -15.38309211
  H     14.94179402     11.71020231    -12.48149304
  O     14.16296928      6.90902173    -10.74810197
  H     14.90622452      7.45827539    -17.73542520
  H     13.65652877     10.88999286    -12.73242996
  O     14.29058192     11.14628227    -12.04628283
  H     14.37401893      8.89394741    -17.85581531
  H      9.30805101     10.28579519    -12.36901256
  O     10.24001671     10.09333364    -12.31344190
  H     17.04779236      5.95950768    -18.04647171
  H     10.32070776      9.14525467    -12.10445685
          69
 Energy    -250.23634953130664     
  O     13.07119586      7.46934009    -10.07355481
  H     13.55815190      7.89683083     -9.35938171
  H     10.99291347      9.45996291    -11.83188662
  O     13.68969763     11.02675837    -17.22069007
  H     12.35756910      8.07527302    -10.31580859
  H     10.95482560     12.71868457    -12.74211666
  O     14.32003404      6.74635656    -12.34256555
  H     12.84947125     11.41653519    -16.91906748
  H     12.25276090     12.45571649    -13.54870968
  O     14.88428877     10.20298904    -14.79538219
  H     13.96675214     11.53175979    -17.98046464
  H     15.55250103      8.19217335    -12.44327874
  O     12.65970878     10.83784047     -7.53313310
  H     14.53643376      5.81818110    -12.32498876
  H     15.85783499      9.45756292    -13.27427333
  O     11.26009168     11.91547320    -16.35315427
  H     13.87331691      6.95060200    -11.50144038
  H     10.49707428     12.63630970    -10.30140427
  O     13.01098107      8.21250128    -14.33105388
  H     14.24390985      9.49858776    -14.61272616
  H     11.27221437     13.90479790    -10.73954324
  O     16.06751155     10.26832314    -10.04387382
  H     14.65914468     10.52558667    -15.67702664
  H     14.66634694     13.81783164    -12.36565463
  O     13.52231587     11.15561335    -10.79176146
  H     13.07187516     11.68544737     -7.75521092
  H     15.52272604     14.01168008    -11.09809289
  O     14.51117515      8.92719780     -8.09383026
  H     11.77471592     10.88414060     -7.91290780
  H     10.91604614     10.62359776    -13.59348914
  O     12.67465204     15.11046533    -10.27089599
  H     10.65738648     11.16413936    -16.40613051
  H     10.27502658      9.50302302    -14.44675783
  O     11.33206627      9.48838344    -10.92777907
  H     11.19581430     12.23743324    -15.44384056
  H     14.70813429     13.13272444     -8.91155749
  O     11.28831331     12.38449477    -13.58678110
  H     12.23672401      8.67006243    -13.97593744
  H     13.34720080     13.86167980     -9.08329090
  O     16.06425442      9.01076412    -12.44486065
  H     13.36943744      7.63321596    -13.64820874
  H     14.39965066     11.65010659    -13.80752889
  O     10.64842430     13.23330047    -11.04188597
  H     15.66657527      9.70428424     -9.37051130
  H     13.83826659     11.90703865    -12.38235757
  O     14.89978481     14.46116754    -11.68095967
  H     16.17728675      9.76571181    -10.86747436
  H     10.67283469      9.01157351    -16.62484158
  O     10.72779445      9.67234966    -13.61194673
  H     13.41714283     11.82563237    -10.10546933
  H      9.13501668      9.03472026    -16.79921947
  O     13.76978566     13.08965522     -8.68536993
  H     14.37699162     10.73817151    -10.62406444
  H     17.28480794     13.17043997     -9.38642413
  O     14.02820496     12.33160904    -13.23326425
  H     14.77835242      8.52502165     -7.27114457
  H     16.38100514     12.00435745     -9.84387071
  O      9.84751564      9.39915291    -16.28176119
  H     13.83462789      9.59163807     -7.87030741
  H     10.50732634     10.47422396     -9.70452002
  O     16.40878038     12.96635306     -9.70380302
  H     13.45231809     14.95845997    -10.83823904
  H      9.33352560     10.91673720     -8.80180628
  O     10.23181283     11.13139212     -9.04235583
  H     12.53880844     16.05339591    -10.23556081
  H     12.61605939      8.22405775    -16.14655374
  O     12.30845723      8.50156109    -17.02161419
  H     12.11028388     10.06947812    -10.93354456
  H     12.84225766      9.27305254    -17.24780685
          69
 Energy    -250.23606104483324     
  O     13.65406491      8.88068475    -11.15068532
  H     14.43511303      8.37918004    -11.43579714
  H     18.32201869      4.87848160    -12.69964164
  O     14.46232636     10.34059388    -16.91298726
  H     13.48197029      9.50639285    -11.86490164
  H     12.30466743      6.29659544    -12.21286178
  O     16.32111750     11.17422521    -12.78229686
  H     14.20992489      9.51647434    -16.47763113
  H     12.51498513      7.40886566    -11.17672343
  O     13.16369654      5.72228156    -13.92142019
  H     13.93119631     11.03311486    -16.49990253
  H     20.85800077      9.00556411    -13.30731920
  O     15.66181722      6.47103453     -8.19894580
  H     15.43351708     10.82434464    -12.94475376
  H     19.38983266      9.22999798    -13.73749077
  O     15.88411520     13.07855768    -14.84419614
  H     16.52467976     11.05299146    -11.84783808
  H     12.69886986     13.16488556    -15.43478748
  O     15.89418574      7.53161597    -12.05452884
  H     12.72729458      4.97285005    -14.32109962
  H     14.17379616     12.77914687    -15.15825593
  O     13.73626143     10.33215313    -13.49208028
  H     13.92089598      5.36483068    -13.42777741
  H     14.94051464      7.94848410    -15.16330420
  O     18.35408250      8.31044637    -10.90158878
  H     16.46005571      6.21200437     -8.69252676
  H     13.56935039      7.33331975    -14.83104461
  O     17.09179071     10.68765781    -10.09561100
  H     15.77476966      6.14567412     -7.30901753
  H     17.28586329     11.51535761    -17.73318174
  O     18.80014720      6.11088029    -13.84240206
  H     16.10269290     12.58838186    -14.04005799
  H     16.11339573     10.91764747    -16.92131808
  O     17.97759375      4.24239080    -12.04793883
  H     16.35849160     12.63372156    -15.55749349
  H     14.43387824      5.47588015     -9.29555464
  O     12.12704971      6.53074228    -11.29538137
  H     16.72549086      7.69568825    -11.59251010
  H     13.22677082      5.46687983    -10.27583273
  O     19.97095556      8.67507652    -13.18989647
  H     15.70679939      6.58327338    -12.03159136
  H     16.13305479      4.47851507    -12.25562564
  O     13.28411385     12.42053140    -15.32714127
  H     13.78378557      9.55122687    -14.06233350
  H     14.81355085      4.74390045    -11.44668774
  O     13.98694189      8.11941215    -15.20278949
  H     13.43163982     11.06298671    -14.04208015
  H     18.18528886      6.70833155    -10.01439908
  O     16.99742025     11.32015433    -16.84568579
  H     18.03892030      9.17010191    -10.59364269
  H     17.92540953      5.23793760    -10.40381960
  O     13.96783695      4.93699375     -9.94452943
  H     18.96902750      8.46293028    -11.62914852
  H     16.35917050      7.68853457    -13.76294059
  O     15.23981551      4.83468820    -12.31654188
  H     16.40968643     10.18067352     -9.61658475
  H     17.16021573      8.54766777    -14.77358063
  O     17.86536324      5.86203198     -9.67177863
  H     17.38042201     11.38135570     -9.50869330
  H     14.52028542      9.15083445     -9.56485163
  O     16.65199128      7.73148690    -14.68821748
  H     19.35962714      6.86134212    -13.61424722
  H     15.35587493      8.28724164     -8.59338627
  O     15.21778032      9.19352673     -8.89474106
  H     18.03870877      6.50093446    -14.29220977
  H     17.86868511     10.53753331    -15.42600644
  O     18.11237857     10.12780379    -14.58643512
  H     18.47162024      3.43498133    -12.16371488
  H     17.52409928     10.50094464    -13.91120237
          69
 Energy    -250.23603454528177     
  O      1.71158472     -2.10515467      4.37313167
  H      1.90951896     -1.16020140      4.34511448
  H     -0.89491918      1.89482646      2.04671856
  O     -3.48057374     -3.20840089      6.89934852
  H      1.11660439     -2.29926514      3.63626487
  H     -0.39544027      2.24220370      4.24556059
  O      0.51898577     -5.75569083      6.04975745
  H     -2.68179146     -3.60272672      7.27966934
  H     -1.09935223      1.25085151      5.21746219
  O     -0.12113147     -2.55898748      2.35716729
  H     -3.55968474     -2.33160734      7.28950350
  H     -0.96710386      0.06133953      0.80920509
  O     -0.88013008     -4.79459550      3.93882210
  H      0.59777921     -6.70215598      5.96659840
  H     -2.17672190     -0.16029650      1.73397600
  O      2.63555578     -3.85572863      6.29922450
  H      0.03788672     -5.44408708      5.26150058
  H      0.24446587      2.10628083      6.80203086
  O      2.86061860      0.40415076      7.06424943
  H      0.22721379     -2.04760158      1.61744949
  H      0.68398435      2.99520948      7.98705118
  O      2.98693429     -2.14639930      8.36337814
  H     -0.97410166     -2.16232786      2.58845262
  H      3.08756242      1.68606322      1.63368952
  O      0.45330962     -2.61852335      9.56939494
  H     -0.53107149     -4.16213896      3.29923722
  H      2.30101870      0.99365912      2.76728576
  O     -2.61082481     -1.48846269      3.03322691
  H     -1.80662072     -4.55487950      4.06386613
  H      0.42172886     -1.93622509      5.67059000
  O      0.79977827     -0.71643646      0.43025351
  H      1.99697327     -4.57640818      6.25468393
  H     -0.55130046     -2.63323787      6.67223178
  O     -0.27651768      2.49094462      2.49665191
  H      2.44410698     -3.28794094      5.53855675
  H     -3.56856846     -3.60025158      5.21366205
  O     -0.36909157      1.88037160      5.14449251
  H      2.16265677      0.94219467      7.45578918
  H     -4.33798596     -4.36425409      4.11153130
  O     -1.72869567      0.50654270      1.19827388
  H      2.87619872     -0.43362143      7.54318349
  H     -0.31713990      0.61457025      8.41326769
  O      0.58657511      2.08692890      7.71257965
  H      3.80957801     -2.35561849      8.79936735
  H     -0.47792693     -0.77742447      7.76548325
  O      2.28961291      1.19579584      1.81564637
  H      2.88870946     -2.78734280      7.63618170
  H     -4.00838037     -0.13404562      8.61751100
  O     -0.32117604     -1.78762677      6.26589470
  H      0.01529536     -1.76258422      9.48548743
  H     -2.52223048     -0.39208342      8.28035047
  O     -3.55666888     -3.84091911      4.26978811
  H      1.34847954     -2.47826369      9.23337305
  H     -0.46907452     -3.70938598      8.46331557
  O     -0.73824570     -0.24477296      8.53435231
  H     -3.04066653     -2.29754221      3.33744372
  H     -0.45303356     -4.75520868      7.28884857
  O     -3.43157290     -0.51010190      7.95770381
  H     -2.56885649     -0.90922644      3.80797768
  H      2.51698909      0.57161434      5.33750090
  O     -0.98300733     -4.08039189      7.72992445
  H      1.13184684     -0.79395579     -0.46111535
  H      1.20569080      1.03301424      4.65806997
  O      2.07421684      0.64790625      4.47842184
  H      1.35643366     -0.06123001      0.88020714
  H     -1.59509653     -0.76098820      5.62696655
  O     -2.28263471     -0.11166379      5.40015249
  H      0.59269688      2.25954673      2.15607837
  H     -2.88089787     -0.09941476      6.15498120
          69
 Energy    -250.23580990071167     
  O     -6.02556129      1.11446853     -0.19850125
  H     -5.39746822      1.78733762     -0.50195511
  H     -0.72735535      2.37039458      4.57660651
  O     -5.16333591      0.86382267     -4.52667346
  H     -6.08152710      1.22613104      0.75854379
  H     -3.40393943      2.30297590     -0.41100470
  O     -5.74696331      1.56821704      2.57434677
  H     -4.79031872     -0.01046129     -4.69481243
  H     -3.94163910      3.75518415     -0.42565756
  O     -0.06010847     -1.44186775      1.29751308
  H     -5.89693341      0.72304353     -3.91558472
  H      2.60230799      0.37202261     -0.06871134
  O     -2.00590614     -1.32590019     -0.71083435
  H     -4.98924340      2.17551256      2.63962606
  H      1.26041653      0.63214400     -0.79247017
  O     -3.93895938     -1.74690455     -4.56711251
  H     -6.37999073      1.85661445      3.22739726
  H     -0.78133470      4.31199627     -1.40528095
  O     -4.68184118     -1.39871156      0.02890142
  H     -0.68359436     -1.58709080      0.57046413
  H     -0.39761104      4.02051043      0.06316267
  O     -1.90989181     -0.29930035     -3.28324143
  H      0.61590902     -0.85486210      0.93948234
  H     -6.28337079     -1.43997129     -2.56524153
  O     -3.12660159      2.25583381     -3.34669397
  H     -1.96787655     -1.08548445     -1.64578953
  H     -5.29976808     -2.10591410     -1.59267056
  O      0.13967237      2.61990535      1.09612037
  H     -2.93680366     -1.45322203     -0.47801570
  H     -1.21671673     -0.62389038      2.40532180
  O      0.43620770      0.95237454     -2.28833556
  H     -4.52204604     -1.97976004     -3.82184196
  H     -2.22497884      0.44991739      1.96218572
  O     -1.02427932      2.34958974      3.67061365
  H     -3.98384162     -2.46897674     -5.18767840
  H     -3.61629917     -0.83737676      2.92147559
  O     -4.05487143      2.89017145     -0.83417379
  H     -4.64955674     -1.48377826      0.99256756
  H     -5.00855772     -0.20465563      2.79606725
  O      1.67208566      0.51613183      0.08354783
  H     -5.09270878     -0.54027891     -0.13496919
  H     -2.01845599      0.41130879     -0.12849402
  O     -0.86283605      4.65010252     -0.50589333
  H     -2.49592966     -0.86284356     -3.80411996
  H     -1.36026090      1.72368243      0.42580609
  O     -5.63616103     -2.15303123     -2.49749947
  H     -2.32174020      0.57593788     -3.26814657
  H     -2.37810943      5.03501555      0.21831516
  O     -1.91010323     -0.03443543      2.73948756
  H     -3.49702608      2.52908424     -2.49528986
  H     -3.43518092      6.08884519      0.62841202
  O     -4.54434477     -1.04995146      2.75616090
  H     -3.85375786      1.87852679     -3.86282121
  H     -6.85419323      0.59011870     -1.69011186
  O     -2.20021552      1.27608261      0.26357468
  H      0.77340215      1.92092424      0.88717005
  H     -8.11418128      0.41905244     -2.56677595
  O     -3.26142882      5.15189954      0.61433452
  H     -0.10070161      2.55789821      2.02901965
  H     -2.75551228      3.07091597      3.10516888
  O     -7.17358953      0.26089019     -2.54679880
  H      0.18531120      1.84996241     -2.53727597
  H     -3.49192918      3.95713173      2.07645729
  O     -3.62762059      3.28728515      2.75809942
  H     -0.22964110      0.38053558     -2.68990667
  H     -1.56276306      3.07941226     -3.27145454
  O     -0.68519759      3.46254447     -3.10132474
  H     -1.31274004      1.43735079      3.48882989
  H     -0.42291028      3.90864234     -3.90316250
          69
 Energy    -250.23454778078280     
  O     15.84004889      8.39284617    -15.44201837
  H     16.51475713      8.40148928    -14.75021264
  H     16.36715825      9.08979899    -16.93581891
  O     14.32818223     11.85837954    -15.01134229
  H     15.01568601      8.66437484    -15.02086298
  H     16.22764010     12.61738802    -11.00950371
  O     19.99003072     10.96228887    -10.87180046
  H     13.83121413     11.07725351    -14.74297715
  H     15.16856932     12.69510771     -9.88909034
  O     20.08847111     13.34027775    -12.38244783
  H     15.21951394     11.71661334    -14.65800934
  H     18.80363264     15.77638503    -13.74044010
  O     14.65258623      9.69210506    -11.63928854
  H     20.14184954     11.85468706    -11.20667884
  H     19.77207824     16.85030983    -13.19709972
  O     17.68156329     10.20492773     -9.56669728
  H     20.19432439     10.37881217    -11.61156371
  H     19.80368783     11.60699219    -15.35254254
  O     17.72092766      8.78894822    -13.36792325
  H     20.23358558     12.83371407    -13.19397174
  H     20.83428767     12.72999972    -15.13180015
  O     14.98982318     11.83704685    -17.73883115
  H     20.11413756     14.27168379    -12.63411393
  H     17.17059844      8.75768392    -10.30794154
  O     18.18607388     14.08932969    -16.77766493
  H     15.29642673      9.03988900    -11.33829264
  H     16.84535528      7.24186604    -10.28495455
  O     18.29233481     11.35579571    -16.29528650
  H     14.92543000     10.53308709    -11.25359260
  H     15.42209947     13.49040161    -17.98721273
  O     13.49944607      9.34081894    -14.05995702
  H     17.03504940     10.90140713     -9.72704303
  H     15.31378066     14.81124508    -18.78739343
  O     16.70170333      9.54561802    -17.72982666
  H     18.52141584     10.50487790     -9.94700952
  H     19.97171693     14.42586104    -16.24882885
  O     15.67593542     12.08209257    -10.41582603
  H     18.67227161      8.95062527    -13.36161935
  H     20.60481811     15.07609793    -15.01160873
  O     19.72167628     15.93619018    -13.46477140
  H     17.46933287      8.45085431    -12.49818503
  H     17.64208656     14.73206299    -15.14676645
  O     20.53862298     11.87667479    -14.78196126
  H     14.66794020     11.80633830    -16.82682380
  H     16.28134087     15.09920306    -14.54143136
  O     16.82465686      8.01606197    -10.83957887
  H     15.53800881     11.05275413    -17.85181763
  H     21.24375936      8.99957300    -13.48254320
  O     15.67315536     14.43267716    -17.98992370
  H     18.21707498     13.12415972    -16.70829861
  H     20.58038420     10.34002975    -13.86110253
  O     20.78436667     14.45205173    -15.72372814
  H     17.39431203     14.30221141    -17.28759821
  H     17.06360477     10.47386697    -13.65603169
  O     17.23108924     15.10199066    -14.35214230
  H     17.87566140     10.72341243    -16.89108156
  H     17.05085986     12.00082826    -13.30198296
  O     20.46498582      9.53138629    -13.33481431
  H     17.74465489     11.37901155    -15.49432085
  H     14.42062930     13.76336869    -15.10860241
  O     16.84505036     11.35505917    -13.98731718
  H     13.87934122      9.46804838    -13.17152103
  H     14.91480805     14.71530694    -16.20996572
  O     14.69598634     14.67545945    -15.27043956
  H     12.67025659      8.88581767    -13.94086144
  H     17.17684141     14.03691048    -12.87309510
  O     17.32641502     13.39563727    -12.16448271
  H     16.82348722      8.87818066    -18.39913618
  H     18.28596001     13.31517239    -12.07764157
          69
 Energy    -250.23422975376084     
  O     11.83573293     11.38524680    -13.87771561
  H     12.50002808     12.08297360    -13.86796679
  H     19.43685093      6.63818444    -13.89184258
  O     16.03036341      6.89499662    -13.94489825
  H     12.07264168     10.81321695    -14.62281774
  H     14.81324101     11.95353219    -16.95450971
  O     18.01536554     10.80818107    -11.96003306
  H     16.97998213      6.93674164    -13.78932778
  H     16.11404178     11.81575605    -16.15313521
  O     17.25333215     10.30745576    -15.91634879
  H     15.73074031      7.80655199    -14.10263366
  H     14.33381278      9.54798024    -14.84886174
  O     12.15116619      7.01296585    -15.85359386
  H     18.09322557     10.42860568    -11.07673487
  H     15.17674470     10.06248481    -13.63004742
  O     15.54355873      8.84571548     -8.87011175
  H     17.08510349     11.04923910    -12.06896831
  H     11.32997076     10.33740855    -12.61538339
  O     14.28769130      6.84512801    -11.80544888
  H     18.04580335     10.19026283    -15.38347524
  H     10.26301184      9.92246584    -11.57251569
  O     15.30443903     11.27409924    -12.28121035
  H     16.51790805      9.97025391    -15.37955511
  H     18.29453036      7.85823653    -10.26436355
  O     15.88591390      8.88370067    -17.95394363
  H     11.45074596      6.47185638    -16.20763774
  H     18.43575457      7.04391612    -11.57255889
  O     15.85272272      6.08820190     -9.60532583
  H     12.03135941      7.02826902    -14.88642977
  H     11.52573471      8.00486714    -12.76664226
  O     14.92807620      6.66945387    -16.55170899
  H     14.84995894      9.16539493     -9.46202161
  H     12.65466178      6.95759825    -12.66574298
  O     18.81231696      7.20083710    -13.43884933
  H     15.55545702      7.88562912     -8.97189593
  H     20.19314111     10.32737135    -14.12233824
  O     15.32281838     12.36248837    -16.24477866
  H     14.90785001      6.77522187    -12.54581110
  H     18.89157830     10.24347214    -13.28563377
  O     15.15855308      9.43180534    -14.36038711
  H     14.73174227      6.47472133    -11.03352897
  H     18.53269202      9.85738900     -8.64280520
  O     11.11739404      9.68577010    -11.92213526
  H     14.82740010     11.98442222    -12.72795521
  H     17.17228938      9.37582943     -9.19717633
  O     18.19642457      6.97439485    -10.64167446
  H     14.68735532     10.75596900    -11.74450972
  H     14.65649298     10.05212434    -18.18755113
  O     11.87002224      7.20226533    -13.17499576
  H     15.58968479      8.06923764    -17.52089947
  H     13.72106932     10.89664608    -19.08918090
  O     19.36928608      9.85425053    -14.04355735
  H     16.52519055      9.30026765    -17.36249200
  H     13.96006620      8.57748392    -11.28277103
  O     18.09977156      9.55363803     -9.43615642
  H     15.98586774      5.29141937     -9.09960627
  H     12.78916555      9.57774388    -11.13921373
  O     13.95912876     10.73504882    -18.18113385
  H     16.71562072      6.32623722     -9.99107345
  H     14.51559163     12.89535277    -14.78771849
  O     13.72332780      9.44971210    -10.93390924
  H     13.98262941      6.69990937    -16.36377975
  H     14.08647176     14.10750922    -13.93081210
  O     14.06959624     13.15465172    -13.96134690
  H     15.35729187      6.56935460    -15.69262877
  H     13.09874780     10.05617671    -16.71268343
  O     12.79640503      9.72448245    -15.85745137
  H     19.03478335      8.11364741    -13.68016601
  H     12.51958893      8.80556482    -15.96675325
          69
 Energy    -250.23317205190810     
  O     13.73144196     12.76487840    -10.75696149
  H     14.45199103     12.92947378    -10.13331488
  H     13.43075755     13.50414829    -16.21839896
  O     14.90239728     11.26331339    -18.27923213
  H     13.35000969     11.91113108    -10.51742850
  H     12.44001513     14.02822571    -14.14454615
  O     17.36095552     13.92007733    -11.24899138
  H     14.71928257     11.44195221    -19.19729390
  H     11.19275891     14.03334910    -15.05854666
  O     13.97878577      9.51207097    -16.30449691
  H     14.64107404     12.05725100    -17.77751589
  H     18.11826317     11.05773904    -12.62210180
  O     15.17746380      7.55400916    -12.19822360
  H     16.93033361     14.53596684    -11.85033217
  H     18.71913871     12.01422349    -13.67202209
  O     15.37478430      6.16290969    -14.69036388
  H     17.82981564     13.26194826    -11.78367478
  H     12.71241988      9.76254672     -9.23404624
  O     14.99471478     11.74274219    -13.06974589
  H     14.20139270     10.03587497    -17.08358906
  H     14.07318096     10.02060793     -9.92152396
  O     12.66140226      8.82677861    -12.55006520
  H     14.81963082      9.26929833    -15.89081951
  H     16.62006629     10.81378631    -17.54957456
  O     16.44214010      8.72588823    -15.18958510
  H     15.28941425      6.92673623    -12.92198503
  H     17.16189221      9.84215496    -16.47533706
  O     18.69374694     12.40651611    -15.54972411
  H     14.29545623      7.93470613    -12.30878708
  H     13.09657005      7.98667875    -15.55273414
  O     12.68163149     10.94149820    -14.34695707
  H     15.43443787      5.25264778    -14.96570936
  H     12.65470629      7.66275586    -14.11076004
  O     14.23251438     13.36729589    -16.73546870
  H     14.45034445      6.44061461    -14.82388465
  H     16.01106562     11.11980247     -9.49835087
  O     12.03699320     13.61025077    -14.92702333
  H     14.67500249     12.16128440    -12.26097119
  H     16.33108173     10.02851582    -10.54812850
  O     18.57057937     11.90428844    -12.72570119
  H     14.21053721     11.43591671    -13.54469914
  H     16.05699999     14.93658321    -13.79584012
  O     13.10792579     10.07356873    -10.04464657
  H     12.56891715      9.58191098    -13.14915103
  H     16.20990489     16.43516190    -13.44111959
  O     17.41180905     10.57664613    -17.05286585
  H     12.70269034      9.20314506    -11.66194222
  H     16.26175397      8.91272463    -12.32497277
  O     12.90143768      7.25560369    -14.95111508
  H     16.21838187      7.79254216    -15.07855073
  H     16.12545016     10.43243756    -12.69071764
  O     15.80943472     10.21174650     -9.76061484
  H     16.65089816      9.06972559    -14.31263159
  H     13.26834684     14.08747768    -11.97812922
  O     15.90504357     15.59850682    -13.09878135
  H     18.28814378     11.73355169    -16.12550386
  H     14.07830887     15.10258002    -12.80952920
  O     16.76426155      9.72380567    -12.50803644
  H     19.48820064     12.69972453    -15.98737850
  H     16.30611184     13.40019416     -8.35210165
  O     13.21166540     14.68561403    -12.73557927
  H     13.06214981     10.51824131    -15.13099051
  H     16.56632346     13.34102320     -9.87856108
  O     16.02637785     12.97049229     -9.15490470
  H     12.34909456     11.81173513    -14.59712672
  H     17.11280579     13.20066176    -15.07759402
  O     16.24099434     13.51398996    -14.80757165
  H     14.96732306     13.48995565    -16.11819357
  H     15.87209982     12.86342252    -14.19056647
          69
 Energy    -250.23314294700498     
  O     16.57286770      6.59317734    -14.66425018
  H     16.15086031      6.04823423    -13.98315106
  H     14.93054589     11.70523079    -15.55211284
  O     17.30482200      9.58386628    -11.11426227
  H     17.28146875      7.09410497    -14.23694613
  H     13.94952114      8.54442547    -14.54051160
  O     16.26429098     10.46564619    -15.91214899
  H     16.34368801      9.62008188    -11.22446582
  H     15.38821906      7.94723930    -14.38923070
  O     12.84499816      6.00825915    -16.37199870
  H     17.49603823      9.09796830    -10.30353905
  H     11.71882021      7.47132035    -13.46530977
  O     15.71161454      6.26814993     -9.16479140
  H     17.17526237     10.52754386    -15.60653516
  H     10.60440459      7.00765669    -12.50114382
  O     15.26279180      5.33144638    -12.61719457
  H     15.79538991      9.88583739    -15.29105265
  H     18.70887889      6.87949727    -10.42769040
  O     14.63246851      9.79883263    -11.76168926
  H     12.87119000      5.40186515    -15.61609348
  H     18.87078719      6.87490904    -11.96440464
  O     14.66338860      9.16419262    -17.78440228
  H     13.73877186      6.05235014    -16.72940719
  H     13.72032448      4.73134537    -13.50909826
  O     17.08171558      4.31956061    -10.77377224
  H     14.97299632      6.57287174     -9.70831351
  H     12.29566521      5.29230137    -13.45570668
  O     15.54229512      6.47174101    -17.21883797
  H     16.07449070      5.49096802     -9.60783615
  H     16.61385547     12.19224714    -12.68496198
  O     18.80650497     10.63961280    -14.69246661
  H     15.85780434      4.86080301    -12.02042581
  H     17.55848120     11.18600297    -12.00218421
  O     14.10098042     12.09163986    -15.23689406
  H     14.81485272      6.01133757    -12.09443427
  H     17.96106374      8.64406189    -12.52218193
  O     14.85074454      8.73663211    -14.24994434
  H     14.71930598      9.41967917    -12.65240298
  H     18.67630323      8.91971389    -13.85265479
  O     11.54238615      6.94783725    -12.66490474
  H     14.53154818     10.74884473    -11.89444230
  H     18.16662903      7.97950180     -8.08892436
  O     18.88650019      6.30678029    -11.18486816
  H     15.33658428      9.66248338    -17.29927978
  H     17.07282105      7.33147716     -8.97388944
  O     12.85600621      4.67234626    -13.93674047
  H     14.90912681      8.23715914    -17.68816211
  H     11.84296772     10.63080795    -17.53069214
  O     17.53047634     11.89523123    -12.66043641
  H     17.78619808      4.96729733    -10.95683761
  H     13.17956846      9.91229619    -17.23542994
  O     18.37369608      8.20429838    -13.28114668
  H     17.50821406      3.48584347    -10.59709001
  H     12.99252173      7.09305011    -11.50457233
  O     17.87759416      7.88047551     -8.99164135
  H     15.97935840      6.47957459    -16.35144248
  H     14.07514205      8.15102965    -11.19229790
  O     12.41537155     10.35322913    -16.82031863
  H     16.07664406      5.92278358    -17.78785895
  H     14.41872613     12.37513829    -13.54805830
  O     13.84913575      7.21781606    -11.07579112
  H     18.39172679     11.16685658    -13.98456037
  H     14.33776592     13.31794644    -12.32599434
  O     14.68678992     12.47988719    -12.61760279
  H     19.58500919     11.11484758    -14.96990678
  H     12.11723206      9.00473277    -15.57745568
  O     12.20830569      8.24055136    -14.99667654
  H     13.40840650     11.61685523    -15.70918458
  H     12.36536043      7.46147842    -15.55799920
          69
 Energy    -250.23299678906699     
  O     13.65598068      5.29028860    -15.76670348
  H     13.54644364      6.19158646    -16.09992833
  H     19.66525377      6.45574831    -17.20018619
  O     18.51195978      7.63339195    -12.34439756
  H     13.81218617      5.37356113    -14.81673855
  H     17.25114485      8.39667798    -16.98636394
  O     19.01701148      6.73431079    -18.96164575
  H     19.20916170      7.83630894    -12.97774455
  H     18.18658369      8.22734761    -18.21655189
  O     16.46957575      5.83072299    -19.15450346
  H     17.78099470      8.23067784    -12.57573764
  H     16.48520415      8.14932002    -14.77667684
  O     14.48023720      8.09360376     -9.84235990
  H     19.48195741      6.57804042    -19.77888250
  H     15.49655522      7.65954592    -15.87661358
  O     14.36648528      5.76059370    -13.09187572
  H     18.13786504      6.32380348    -19.05530829
  H     14.50712740     10.61383114    -14.89290072
  O     16.46392207      9.15349030    -13.20217691
  H     16.07594160      5.18533836    -18.55379449
  H     13.62971785      9.62984847    -14.08097961
  O     17.40494709      5.05535966    -15.56026563
  H     15.87704110      6.59026843    -19.18153087
  H     17.11634028      3.65704626    -10.01609511
  O     13.92327723      5.30207804    -10.40769255
  H     15.42886962      7.87425248     -9.84686157
  H     16.86092780      4.61547619    -11.20227825
  O     18.55208465     10.47582402    -15.72290208
  H     14.31219009      8.56269022     -9.02930651
  H     14.13370361      8.16690336    -17.51090990
  O     15.44664146      3.97491771    -17.26954121
  H     14.04936969      5.49970028    -12.21472095
  H     13.69019404      8.73712722    -16.11725599
  O     19.78505666      6.34421752    -16.24985434
  H     15.32261701      5.62920493    -13.07586839
  H     21.12313282      8.55013409    -14.45759778
  O     17.58632147      8.84523568    -17.78027774
  H     15.56588704      8.93454365    -12.91821866
  H     20.06324315      7.66384239    -15.14647032
  O     16.41738311      7.62410777    -15.58275767
  H     16.43853116     10.03902745    -13.58464183
  H     17.67671183      6.04580287    -12.66860649
  O     13.71083782     10.07262484    -14.93679999
  H     16.83161461      4.53741090    -16.13622800
  H     17.31150301      5.00058905    -13.76000681
  O     16.66491964      4.46019265    -10.26180470
  H     17.05340906      5.96122133    -15.57522437
  H     17.01535518      6.30036652     -9.86561122
  O     13.84237337      7.92463510    -16.62421162
  H     13.98375876      6.21664549    -10.10525807
  H     17.70656605      7.46171651    -10.60380155
  O     20.18279250      8.39941708    -14.51952379
  H     14.78890157      4.91185884    -10.22953659
  H     13.95444451      8.44651756    -11.60316621
  O     17.16577993      5.24071797    -12.83547051
  H     18.30993471     10.04844674    -16.55552402
  H     13.95227052      7.53826460    -12.85308686
  O     17.08163424      7.26350782     -9.89571291
  H     19.11003348      9.84267487    -15.25571154
  H     17.10406937     11.21379385    -15.08254031
  O     13.88635426      8.46134754    -12.56696338
  H     15.13262063      3.09567472    -17.46090091
  H     16.36266327     12.43545147    -14.49260733
  O     16.27403034     11.50100559    -14.66086571
  H     14.75559276      4.41070138    -16.73655122
  H     14.99508581      9.02291922    -19.79611255
  O     15.17259914      8.43718835    -19.06430125
  H     19.06559915      5.76097375    -15.97223451
  H     16.01862952      8.71872522    -18.67746144
          69
 Energy    -250.23122313650288     
  O     16.75296598      9.58469429    -15.21214890
  H     17.60059332      9.18265424    -14.97838269
  H     13.36297534     11.64154564    -11.96427736
  O     14.99962718      8.08057489     -9.03283116
  H     16.14691832      8.87665778    -15.47364241
  H     18.89147472      4.93943670    -14.45146223
  O     16.04025097     12.20476696    -15.10285801
  H     15.60262395      8.80240735     -9.27973329
  H     19.27311907      3.67668180    -13.64049219
  O     12.80200578      8.89115062    -10.73688335
  H     15.09084439      7.95332368     -8.09236981
  H     15.47075839      7.13911540    -10.60595716
  O     15.03818022      7.51359361    -15.78131388
  H     16.10501652     12.65098668    -15.94325905
  H     15.61412782      7.86581223    -11.96110565
  O     19.05107841      8.45694262    -14.23244837
  H     16.32111521     11.28389280    -15.24933674
  H     19.17409504      6.96297095    -15.40679637
  O     19.80824057     10.75530145    -12.80448466
  H     12.92612194      9.85139215    -10.76961733
  H     18.32128419      6.04476539    -16.32758491
  O     18.41648432      6.73660794    -12.12940877
  H     13.42895784      8.56694985    -10.08277618
  H     16.32297460     11.72431569    -10.13174493
  O     11.99140721      7.45572784    -12.89193542
  H     14.79310297      6.97880560    -15.01277003
  H     16.24492334     13.18536738     -9.63131207
  O     12.79195463      9.13022001    -15.06839687
  H     15.51843828      6.92729119    -16.37878982
  H     16.38795612      5.01018864    -16.37424235
  O     13.71887160     11.31548544    -13.70795893
  H     18.81897553      7.86311011    -13.50288405
  H     16.49287455      5.11071251    -17.91673317
  O     13.39288983     11.58964862    -10.99674419
  H     19.42507302      9.25058318    -13.82886709
  H     14.86281617     10.06876855    -12.79484715
  O     18.65263080      4.40010267    -13.67525385
  H     19.04636809     11.36123434    -12.78420979
  H     16.14292287      9.53176134    -13.45119077
  O     15.73164232      7.00616232    -11.52423391
  H     20.58851912     11.30095499    -12.86043608
  H     17.09384418     12.45939151    -13.54125508
  O     19.10772816      6.06976066    -15.76862059
  H     18.55321550      5.87132274    -12.53416164
  H     17.09968791     12.58567557    -11.99974182
  O     16.05745217     12.62603235    -10.38148563
  H     17.48354138      6.77806012    -11.87504558
  H     17.60200823      9.66651932    -10.14780065
  O     16.60808979      5.60902343    -17.11207457
  H     12.27582843      7.97043681    -12.11513314
  H     16.32426818      9.88994276    -11.00005031
  O     15.63776344      9.51812092    -12.63016724
  H     11.07759830      7.22612252    -12.74397291
  H     13.39782415      6.32140170    -13.39722804
  O     17.66460685     12.42417817    -12.76419782
  H     13.49449905      8.61552940    -15.48372430
  H     14.81290797      6.18107997    -12.81496107
  O     16.68764594      9.98337957    -10.10534606
  H     12.43080709      8.56863741    -14.37022732
  H     19.50213071      9.61198712    -11.29834026
  O     14.26667228      5.94077618    -13.57768047
  H     13.32197454     10.62274048    -14.25810066
  H     19.05779573      8.15808671    -11.03109515
  O     19.18750505      9.01636382    -10.60650187
  H     14.41193457     11.73984844    -14.22586545
  H     15.36294775      4.63875489    -14.38297489
  O     16.04371341      4.17096603    -14.88510282
  H     14.20482734     12.03905990    -10.74183558
  H     16.84175422      4.16417446    -14.34281299
          69
 Energy    -250.22974927916948     
  O     12.10970381     10.49960807    -15.13040950
  H     12.84730577     11.10707924    -15.26104707
  H     15.63817140      9.36909994    -15.35879851
  O     15.46102430      6.40570844    -12.30480788
  H     12.16400894      9.84836367    -15.83985313
  H     13.94519070      8.02853081    -14.42826658
  O     17.58126321     10.30909475    -12.09005190
  H     16.34172976      6.72001418    -12.06312793
  H     15.12439516      7.75160369    -13.49177030
  O     12.58904500      6.78815050    -14.91414596
  H     14.83314831      6.73597555    -11.64699112
  H     11.41407505     10.24159169    -13.53877390
  O     14.96451450     10.35680865     -8.65530630
  H     16.68928496     10.57394226    -12.35536358
  H     10.16644233     10.47278759    -12.65749585
  O     13.64777781      7.53174175    -10.53215925
  H     17.67302149     10.55143338    -11.16003795
  H     17.76007176      8.83120440     -9.15858989
  O     14.97813400     10.87755534    -12.88711709
  H     12.13864441      6.86658063    -14.06040299
  H     17.85805202      7.60579481    -10.08465846
  O     16.68988551      6.03480937    -16.44115797
  H     13.23180700      6.06639903    -14.85455037
  H     12.17714975      7.20220514    -11.72428015
  O     15.14275105      7.53249075     -8.16079492
  H     14.92624705      9.43989812     -8.35576963
  H     11.27199065      8.20141137    -12.47234903
  O     14.67831593      5.02688457    -14.60692428
  H     14.27428693     10.44827832     -9.32505886
  H     18.35438808     10.13090261    -13.82438453
  O     18.64567121      6.99105324    -14.67409034
  H     14.06492795      7.42212219     -9.66852518
  H     18.67484800      8.93004740    -14.73952692
  O     16.08932318      9.97780670    -15.96500780
  H     13.51906578      8.48299482    -10.65291569
  H     17.82192465      8.50764534    -12.02407570
  O     14.75618489      8.41998802    -14.08353334
  H     14.81333530     11.49666265    -13.60684184
  H     18.27126212      7.27259811    -12.84289661
  O     11.03824013     10.08576532    -12.65443052
  H     14.82588755      9.99261729    -13.25799142
  H     17.96357075     11.38881295     -8.73768105
  O     17.63881721      7.87357549     -9.18324183
  H     16.12431616      6.70559990    -16.86268382
  H     16.62635002     10.68709357     -9.07552432
  O     11.53554065      7.27312781    -12.44187613
  H     16.87208942      5.38117675    -17.11280608
  H     15.54283970      8.75800665    -17.23229026
  O     18.53460778      9.88466864    -14.74152577
  H     16.05332916      7.56759203     -8.50498956
  H     14.19402764      8.07516825    -17.51972688
  O     17.95829035      7.54941553    -11.97357031
  H     15.16744558      7.00450532     -7.36757305
  H     13.87423847     10.60376338    -11.50861622
  O     17.56881655     10.74212989     -9.31634578
  H     15.37112829      5.29917759    -15.21900582
  H     12.37802393     10.28881220    -11.34884029
  O     15.14738700      7.95368086    -17.59728294
  H     14.96456869      5.33710799    -13.73532718
  H     15.08594752     11.40988447    -15.70742223
  O     13.21533884     10.29453533    -10.86920238
  H     19.44469097      6.53751315    -14.93542686
  H     14.68439052     12.89697079    -15.86186488
  O     14.47287147     12.09628541    -15.38974451
  H     17.94483352      6.67220485    -15.26362096
  H     11.64598702      8.12539109    -17.63873466
  O     12.35442474      8.37801429    -17.05200815
  H     17.00220970     10.04341257    -15.65043126
  H     12.35595020      7.73294638    -16.32002212
          69
 Energy    -250.22909239431357     
  O     16.64353699      9.04801725    -16.55376143
  H     16.89822982      9.43104263    -15.70440012
  H     16.73849000      2.22855270    -16.22514051
  O     13.93361333      3.33531905    -16.31084068
  H     15.72722213      8.76885175    -16.44966784
  H     19.90975455      4.50158895    -16.23929747
  O     17.68948575      5.58919612    -11.63618699
  H     14.60836152      2.70427331    -16.58581602
  H     19.20758248      3.64487136    -15.16874790
  O     19.44459504      5.10738958    -18.05486812
  H     14.18832206      4.17621481    -16.71643072
  H     18.10478721      7.95958741    -16.83040831
  O     16.94852375      4.18185509    -18.53435155
  H     18.57875358      5.56366447    -12.00870026
  H     19.06092908      6.76943143    -17.27867250
  O     13.22185620      6.89519494    -10.80630349
  H     17.22223895      6.30073091    -12.10198672
  H     17.73943844      6.28094504    -15.67684075
  O     13.97989499      4.27526310    -13.74858892
  H     18.56076680      4.75776395    -18.26659704
  H     16.76140703      6.33337368    -14.48373632
  O     16.32105066      7.43721879    -13.09914636
  H     19.99182606      4.94628222    -18.81887405
  H     13.13192827      8.63564340    -16.34302562
  O     17.43330502      3.10874089    -14.86245432
  H     16.23796620      4.78145237    -18.27180041
  H     13.74110876      7.77911161    -15.21424031
  O     12.56082327      4.12598508    -11.34500980
  H     16.72531784      3.32459267    -18.15074650
  H     13.83234443      3.27659367    -10.48366611
  O     19.72151880      8.23729977    -14.10914822
  H     12.86794664      7.46261814    -10.12658988
  H     14.39777860      2.24096522     -9.48125629
  O     16.29959608      1.86537249    -17.01424372
  H     14.05497815      6.53051299    -10.45736237
  H     15.72681479      5.74587364    -16.50046417
  O     19.98526842      4.19701703    -15.32798127
  H     13.89905096      3.87113422    -14.62455646
  H     14.54172547      6.56807138    -17.02410885
  O     18.87302913      7.41859801    -16.59127934
  H     14.79562699      3.95252753    -13.34655090
  H     20.13548315      5.13689399    -13.83727108
  O     17.02225562      5.79977254    -15.24397778
  H     15.36479733      7.40425791    -13.22502502
  H     21.03107110      5.41849204    -12.61390854
  O     13.90715799      8.13324885    -16.10273069
  H     16.63917896      8.31958936    -13.32839997
  H     15.78698421      3.01915993    -11.58521498
  O     14.65190041      2.93582837    -10.08187118
  H     17.28024960      4.05005834    -15.04686965
  H     16.79806968      4.07510637    -12.10129022
  O     15.04127081      5.76171602    -17.18678862
  H     17.08769442      2.95979384    -13.97300090
  H     15.25412981      4.73975448     -9.77236360
  O     20.18197642      5.62568204    -12.99731402
  H     12.58454667      5.05970737    -11.10527463
  H     16.32535229      5.70994142    -10.29966137
  O     16.27028385      3.30762272    -12.36831374
  H     12.88988547      4.08874421    -12.25514634
  H     13.35896263      7.09253500    -12.65680299
  O     15.47365747      5.67700376     -9.84674743
  H     19.57550526      7.97722660    -15.03211060
  H     13.72881879      6.03903763    -13.72746950
  O     13.62575610      6.99320680    -13.57985015
  H     19.91684428      7.42048311    -13.63766253
  H     17.73197485     10.66081519    -13.55868004
  O     17.53625790      9.79864084    -13.91412336
  H     16.51778265      0.93797877    -17.04994139
  H     18.37677636      9.30289742    -13.93228995
          69
 Energy    -250.22895008638250     
  O     -2.47557315      1.52110677      3.37459620
  H     -2.60009347      1.53628185      4.33465680
  H     -4.95174802     -1.29826293      4.71105542
  O     -1.15555169      3.83650519      6.66182821
  H     -2.67917960      0.63093708      3.05982374
  H     -3.22413840     -2.96929354      8.30415394
  O      0.67498794     -1.36113262      1.70978596
  H     -1.30300883      4.64954063      7.13708095
  H     -2.98625709     -2.83066105      6.78205802
  O      3.33056549     -0.61299951      2.35505959
  H     -0.81533783      4.08113133      5.78208912
  H     -0.38740660     -0.79705397      6.73709445
  O     -1.45516301     -0.33249812      0.12261565
  H      0.57965184     -0.63830409      2.35158352
  H     -1.65965093     -1.05588420      7.58428612
  O     -2.79202085     -1.08690499      2.45360510
  H      0.10067519     -1.12490029      0.97412105
  H     -2.25174141     -3.43018307      4.61523336
  O     -1.67728718      3.65277431      1.89056824
  H      3.26963920      0.26716106      1.96662062
  H     -3.76147398     -3.12349948      4.69155550
  O     -0.17813769      4.38783615      4.21345069
  H      2.54499021     -1.07498588      2.03578188
  H      0.16757728      2.56637711      7.22413677
  O      2.02420362      2.75856189      3.84238619
  H     -2.00648029     -0.59275464      0.87823955
  H      0.21335303      1.06556237      7.56648268
  O      2.79417605      2.01158335      1.26619129
  H     -1.89469671     -0.65790876     -0.65955690
  H     -4.20777895     -1.05484747      6.79809180
  O     -0.82594908     -2.74227656      3.61419329
  H     -2.11518714     -1.62908118      2.88376168
  H     -4.09716698      0.35296793      6.18627179
  O     -5.02599467     -1.84981325      3.91078767
  H     -3.64042794     -1.35216383      2.83228768
  H     -0.68507004      1.02750457      3.54674041
  O     -3.03873998     -2.33371294      7.61804036
  H     -2.05111878      2.91254114      2.40079085
  H      0.82003062      1.38191781      3.71409490
  O     -1.01458332     -0.37919518      7.34851622
  H     -2.41424493      4.13680985      1.52632345
  H      2.33243779      1.75032126      6.65168117
  O     -3.03385597     -3.53340106      5.17371963
  H     -0.67243532      4.27487534      3.39432189
  H      3.84444176      2.05013832      6.76901263
  O      0.77019986      1.84185308      7.42919837
  H      0.65718068      3.91406543      4.08905471
  H      3.44137527     -0.87237556      4.18467297
  O     -4.64467511     -0.44269254      6.19206617
  H      2.46126191      2.55934341      3.00450727
  H      3.39608142     -0.06828724      5.50378385
  O      0.19735457      0.64976701      3.62561294
  H      2.56484456      2.43192941      4.57386124
  H     -0.36191733      1.26005664      0.27610099
  O      3.17616873      1.73751765      6.16464196
  H      1.87741598      1.99769656      0.93866192
  H     -0.39848911      2.67228634      0.88345817
  O      3.34599490     -0.96166181      5.14456319
  H      3.32242414      2.41140251      0.58017024
  H     -2.24901897      2.37846027      6.35396916
  O      0.18207668      2.03766627      0.44520839
  H     -0.33249487     -2.39422500      4.37247954
  H     -2.05526754      0.85175167      6.52067690
  O     -2.62691082      1.52221227      6.11730470
  H     -0.26312344     -2.54828330      2.85346336
  H      1.63452044     -1.39335983      5.45489452
  O      0.66829202     -1.34187914      5.44689707
  H     -5.95273798     -2.03641588      3.78927319
  H      0.46141487     -0.59878994      4.85809325
          69
 Energy    -250.22818888492930     
  O     16.49919790     10.61831619    -10.63842913
  H     17.32427654     10.21665057    -10.93820110
  H     14.52493092      8.94144325     -7.55950315
  O     14.72382580      5.14839386     -7.13578711
  H     15.80783081     10.34211975    -11.25645215
  H     18.32820825      7.08410721    -13.70830905
  O     12.49808821      6.84847475     -7.80388659
  H     14.74372925      4.33265935     -6.64294998
  H     17.11221480      6.14950827    -13.60798202
  O     14.55432280      9.59130137    -12.27870077
  H     15.06155325      5.84195633     -6.54069749
  H     15.73628418      7.06473346     -9.28739913
  O     18.83578685      9.25915107    -11.29035292
  H     12.83561214      7.66221038     -7.40290484
  H     15.41448706      5.62980653     -8.81828460
  O     20.26210819     10.20014276     -9.06050766
  H     13.14381597      6.16472685     -7.59377093
  H     18.79039347      9.15445669    -13.08107852
  O     18.26468860      6.62316565    -10.62660083
  H     14.40827517      8.67093223    -12.02278830
  H     19.43152662      9.34413757    -14.47413371
  O     11.72853286      7.55225953    -10.28053576
  H     14.95412426      9.55957640    -13.15953893
  H     18.72512289     11.85146422     -6.41216414
  O     16.24004987     12.06060603     -8.31028801
  H     19.39887796      9.62655229    -10.59854117
  H     17.68715576     11.57141121     -7.52289127
  O     12.72501977     10.26124737    -10.24592856
  H     18.60673909      8.35417928    -11.02716873
  H     15.66171448      8.08794076    -14.59210930
  O     13.40440793     11.66609416     -8.01408001
  H     19.67167354     10.60510157     -8.40609688
  H     16.83011291      9.08481004    -14.49810489
  O     13.84658371      9.11345040     -6.88658342
  H     21.10128777     10.64893198     -8.98574216
  H     16.59981059      8.65081756     -8.03758994
  O     18.03397868      6.24356731    -13.33694869
  H     17.41372895      6.35609689    -10.25581600
  H     16.09094579      9.38985661     -9.32473939
  O     15.70832833      6.13874111     -9.58239400
  H     18.25834477      6.35694328    -11.55819259
  H     16.41410830      7.62674779     -5.83378725
  O     18.67916266      8.96434766    -14.02721844
  H     10.80488044      7.34815620    -10.39947938
  H     14.90671964      7.93541017     -5.79890533
  O     18.52068645     11.25543117     -7.12812622
  H     11.96919177      7.25648704     -9.38351370
  H     14.63325612      6.52467100    -10.97028859
  O     15.87405670      9.02975377    -14.61877236
  H     15.30037760     11.98816759     -8.10876319
  H     13.19533893      7.03125032    -11.27191146
  O     15.89451245      8.68305378     -8.69931385
  H     16.33906723     11.71597851     -9.21051136
  H     20.08127549      8.26614512     -8.62413062
  O     15.55520651      7.24461868     -5.60878785
  H     12.30002158      9.39720077    -10.19665646
  H     19.31714006      7.01763097     -9.11783525
  O     14.05830707      6.86358508    -11.67172895
  H     13.29748341     10.21632249    -11.02248333
  H     18.08038781      9.44978175     -6.68096004
  O     19.71869712      7.42108702     -8.33569910
  H     13.15478677     11.19371750     -8.82925506
  H     18.51198387      8.03585368     -7.17431432
  O     17.81967387      8.52215025     -6.69997183
  H     12.77202705     12.37175202     -7.90713229
  H     14.78342090      6.42546971    -13.24304131
  O     15.26736185      6.26898885    -14.07101344
  H     13.57629187     10.02422230     -7.04278718
  H     14.76407576      5.62625058    -14.56461234
          69
 Energy    -250.22808514724989     
  O     12.41803245     11.53573629    -14.49261950
  H     13.18177676     12.11026975    -14.36249023
  H     13.31514935      6.17665784    -15.92558589
  O     15.27890569      6.29742248    -13.48891972
  H     12.14116695     11.22616315    -13.62136278
  H     17.15185415     11.40258233    -15.86019890
  O     18.18982473      9.91450744    -12.41078699
  H     14.77967976      6.46651685    -12.67786646
  H     15.93830088     11.17527541    -16.80838206
  O     18.75478412     10.67055442    -15.02327664
  H     16.20879522      6.47407615    -13.29598832
  H     14.34714993      9.01036737    -15.12586042
  O     11.70167883      7.14420210    -15.52987455
  H     17.29211359     10.27985987    -12.45664855
  H     15.04209696      7.95284840    -14.21073574
  O     15.90119056      9.02107079     -8.86944006
  H     18.39431193      9.79072023    -11.47578005
  H     10.68421058     10.58454666    -11.65558934
  O     13.87827424      7.04320268    -11.22603707
  H     19.62677556     11.04676847    -15.11646986
  H     11.49359172      9.44355271    -12.31669627
  O     15.63590743     10.80217458    -12.75085441
  H     18.64703517     10.44881608    -14.08358990
  H     18.09073630      6.57599360    -11.41123072
  O     15.75243138      7.48946105    -17.75912707
  H     12.07150575      7.99154509    -15.83478647
  H     18.33167733      7.42250059    -10.14931786
  O     15.63917227      6.17898378     -9.22080549
  H     10.91879691      6.98293035    -16.05104268
  H     12.29045484      7.32476062    -12.26145157
  O     17.57989227      8.21641077    -15.76923241
  H     15.19154464      9.39304452     -9.41013814
  H     11.63526955      7.46271311    -13.66649926
  O     14.21887443      5.87689431    -16.07802176
  H     15.73785466      8.07052776     -8.83428394
  H     17.97735700      7.28058872    -14.15044961
  O     16.33055907     11.79337298    -16.17946347
  H     13.93592829      7.99905940    -11.08420905
  H     18.00903454      8.09775056    -12.86214949
  O     15.11111243      8.85171015    -14.55966555
  H     14.37342535      6.63431696    -10.50530500
  H     19.00287743      9.62870757     -8.97554501
  O     11.53742304     10.37341152    -12.02573619
  H     15.42733357     10.11943184    -13.41045381
  H     17.54802247      9.27646472     -9.36732851
  O     18.03827591      6.55254034    -10.44704667
  H     15.40292413     11.65114164    -13.14406176
  H     15.24993877      9.11948347    -17.98353517
  O     11.59417982      7.77570579    -12.75494320
  H     15.19222736      6.87191631    -17.26597547
  H     14.92188401     10.28760602    -18.94346121
  O     17.94241821      7.18975724    -13.18964913
  H     16.55653079      7.59002039    -17.23361219
  H     14.61207357     10.20391815    -11.42071134
  O     18.46620543      9.30336381     -9.69325244
  H     15.67595929      5.43803377     -8.62215626
  H     13.11743271     10.08579508    -11.05807152
  O     14.96998587     10.05288270    -18.02048137
  H     16.50268840      6.22151884     -9.66951459
  H     14.98305086     13.95037375    -14.30595644
  O     14.00043906      9.81832929    -10.77618921
  H     16.70735567      8.46397211    -15.42325210
  H     15.37316883     12.62466941    -15.00609132
  O     14.86013884     13.00607804    -14.26956485
  H     18.12497091      9.00661771    -15.67961325
  H     12.67478192     10.26158713    -15.66146361
  O     12.90647297      9.48786476    -16.20002794
  H     14.62001843      5.82359818    -15.20071556
  H     13.50050242      9.76693304    -16.90684195
          69
 Energy    -250.22639906768103     
  O     16.35411685     10.03682560    -16.86505578
  H     15.48137152     10.37526317    -16.63975223
  H     18.25791856      5.74378131    -13.18198396
  O     15.15355524      5.15272671    -13.31504211
  H     16.61325937      9.48320460    -16.11007847
  H     19.82298358     10.30037300    -16.80629435
  O     18.53625531     13.56348528    -11.34448656
  H     16.02818062      5.25497546    -12.91124570
  H     21.13783932      9.86804115    -17.50300800
  O     19.88444691      8.18801114    -14.66158761
  H     15.26141813      5.39551323    -14.24378949
  H     18.00610963      8.37976220    -14.64298654
  O     17.32075764     10.20626668     -9.10724492
  H     19.04082076     12.86850142    -10.88445545
  H     16.61923475      8.53303057    -13.91613071
  O     15.66732845      8.79720647    -12.39818936
  H     18.94492566     14.39558340    -11.12386868
  H     13.68342687      9.78239631    -15.47214588
  O     18.06932798     11.96501940    -13.62412050
  H     20.13794598      8.58580273    -15.50519726
  H     13.08149780     11.10813251    -15.99108948
  O     19.23618401      5.49997723    -14.94956471
  H     19.81849421      7.23244762    -14.78408494
  H     17.73484503      8.72173484    -10.18798109
  O     13.48620743      7.06361390    -12.46735548
  H     16.96288779     10.25228216     -8.22463415
  H     18.53598111      8.71080810    -11.50391479
  O     17.85270767      5.58972156    -17.39111531
  H     16.83034428     10.85681448     -9.64083039
  H     14.05013051      7.44906036    -15.55559820
  O     15.57315999      6.33667210    -15.84706016
  H     14.91495719      8.19812387    -12.31754406
  H     13.30944987      7.77704525    -14.24908056
  O     17.71328923      5.68210324    -12.39085864
  H     16.36924298      8.50827703    -11.80077005
  H     19.01456995     10.98412692     -9.66699497
  O     20.36165390      9.52893107    -17.06645397
  H     18.25877195     12.63514131    -12.95598488
  H     19.85290020     10.82601281    -10.94643933
  O     17.05149017      8.40328188    -14.77037296
  H     17.12176684     11.77457306    -13.56990785
  H     19.82560340      9.26601608    -13.22394888
  O     13.88007726     10.72175851    -15.64147646
  H     18.73357234      5.48129887    -15.77873869
  H     19.00616073     10.55083774    -12.92859886
  O     17.93834000      8.17658667    -10.95900230
  H     19.67702351      4.65581247    -14.87890783
  H     15.72565559     11.95972195    -11.49989433
  O     13.44318621      8.08397723    -15.15372627
  H     14.03270593      6.29515869    -12.71938799
  H     16.86290380     12.75738076    -10.83963353
  O     19.71347817     11.40432168    -10.18320493
  H     12.80614346      6.74244223    -11.88292011
  H     18.91340354      8.60229602    -17.88781921
  O     19.52016906      9.84407356    -12.51246671
  H     17.93343858      6.51430620    -17.69048415
  H     17.38647577      8.80013321    -17.88489311
  O     16.14677085     12.13812290    -10.64996232
  H     17.87798157      5.04623758    -18.17404555
  H     14.82799673     11.28477291    -14.07740139
  O     18.08202535      8.17552522    -18.12882889
  H     16.16364020      5.92880084    -16.48724888
  H     15.43139683     10.45037108    -12.92669651
  O     15.36940667     11.35134295    -13.28314869
  H     16.09918965      7.04383969    -15.44006127
  H     18.56052771     11.74974927    -15.39507313
  O     18.68964992     11.48471521    -16.31495405
  H     17.89366471      6.46380984    -11.85434264
  H     17.83702430     11.13519913    -16.60871181
          69
 Energy    -250.22591358748340     
  O     14.88443950     10.50902242    -15.69144294
  H     15.11734828     10.16710972    -16.56770587
  H     17.70668689      8.20760670    -16.54710291
  O     18.11056765      6.60796017    -12.01881489
  H     14.09697324     10.03505400    -15.40663363
  H     15.75432003      7.21408760    -15.64361528
  O     19.77057591      6.69052266    -18.32485419
  H     18.94863998      6.83746332    -12.43755772
  H     16.64637384      7.76970796    -14.50126538
  O     17.37124431      5.08002353    -18.43946806
  H     17.50946328      7.34110195    -12.22429064
  H     13.00696892      8.54472268    -13.86332393
  O     13.89880152      6.71333284     -9.88786128
  H     20.53512646      6.63505856    -18.89141443
  H     11.80099756      9.12139576    -14.64132779
  O     14.24481828      5.23026461    -13.69264806
  H     20.05076397      6.38411613    -17.44317155
  H     16.32930287      2.25093366    -10.81053023
  O     16.40192862      8.56666610    -12.83918275
  H     16.59708911      5.64013804    -18.57310826
  H     16.31878879      3.45272989    -11.78370303
  O     17.68882762      4.77448827    -15.73104322
  H     18.14589724      5.64437543    -18.55577242
  H     13.99287390      6.04987150    -15.30985661
  O     13.34080726      4.22334687    -11.30180761
  H     13.64694961      6.95641703     -9.00118360
  H     13.46548625      7.45364210    -15.71961058
  O     19.20494398      9.73693340    -14.73451625
  H     14.82872637      6.42503784     -9.84599443
  H     21.15788876      7.84138497    -13.16224059
  O     20.28521364      5.84181893    -15.79636240
  H     15.16943432      4.96619227    -13.59867265
  H     19.92037854      8.37348007    -13.91858549
  O     18.25185381      8.73410251    -17.15324189
  H     13.76872876      4.79928519    -12.96754556
  H     17.34823912      5.13832157    -12.77654611
  O     16.66841797      7.31205039    -15.35021441
  H     16.51493584      9.49356353    -13.08605607
  H     17.20921534      4.30868623    -14.08530993
  O     12.71743424      8.87157175    -14.73154324
  H     15.46645769      8.40264404    -12.66621069
  H     16.33822231      4.80201464    -10.09931809
  O     15.96072299      3.12051582    -10.94178238
  H     17.55670815      4.65536543    -16.68165046
  H     17.12020696      6.07396992    -10.48633820
  O     13.98297877      6.69932215    -16.02806058
  H     17.37506781      5.67345378    -15.54341267
  H     14.27860341      6.35427768    -19.24086204
  O     20.30664476      7.58030067    -13.50529616
  H     14.14124875      3.72243816    -11.09512361
  H     14.53356111      6.58316601    -17.73610832
  O     16.88851153      4.38533737    -13.17561872
  H     13.37412547      5.00723810    -10.74068559
  H     13.95650644      6.85359354    -12.93133464
  O     16.43230538      5.74128851     -9.89594214
  H     18.99243622      9.50001296    -15.64835216
  H     13.72087439      7.49296471    -11.54394020
  O     14.94101017      6.64142519    -18.61596381
  H     18.47079284     10.28179804    -14.43049727
  H     16.74842669     12.01200164    -13.67554153
  O     13.78025555      7.69672368    -12.48608192
  H     20.34527200      6.40881425    -15.01920305
  H     16.12675075     10.93264592    -14.59519039
  O     16.80433818     11.09042065    -13.91114744
  H     19.47040931      5.33060817    -15.69398433
  H     15.41640029      8.51886835    -18.39513039
  O     15.69585568      9.38690690    -18.08468372
  H     18.80207943      8.11215771    -17.64478922
  H     16.64211458      9.29946061    -17.90222832
          69
 Energy    -250.22581492213294     
  O     14.87838790     12.66473424    -16.25993789
  H     14.50445453     13.54051836    -16.30335985
  H     16.07022635      5.14307453    -15.32505873
  O     15.59813865      6.19535133    -13.83724507
  H     14.35975231     12.17104033    -15.59944327
  H     18.56126034     11.08356245    -18.68345401
  O     18.91016470      8.14010937    -12.47093429
  H     16.28302183      5.92381481    -13.21281754
  H     17.18102351     10.62781186    -18.14840420
  O     18.44122377      7.95949897    -17.09622755
  H     15.94767096      6.97640710    -14.29650598
  H     16.80876612      9.09933951    -14.51454547
  O     16.32917084      6.37059850    -18.20134004
  H     19.38517298      7.84462967    -13.26179753
  H     17.26439219      8.23713640    -15.72991966
  O     15.60362470      9.79229548     -9.55114158
  H     18.43424988      8.94451522    -12.72332531
  H     13.94000070     11.00559638    -13.61545892
  O     13.60360155      7.75880668    -12.80580518
  H     18.42831769      8.85681191    -17.45812949
  H     13.05994296     10.40671714    -14.73355191
  O     17.38787820     10.29298057    -13.30365360
  H     17.81562932      7.42960237    -17.60615128
  H     15.74990159      6.22131565     -9.85696676
  O     18.91658290      4.38455401    -14.41039325
  H     16.30267354      5.85600108    -19.00349240
  H     16.45587114      5.17584365     -8.96154699
  O     14.36961332      7.26148717    -10.11247774
  H     16.41600173      5.73767262    -17.46457788
  H     13.13185154      8.47312839    -15.94509737
  O     19.89630870      7.06870844    -14.82784174
  H     15.65696516     10.33502348     -8.76942322
  H     11.61161455      8.49256597    -15.67056179
  O     16.59915322      4.77112331    -16.04352002
  H     16.46552095      9.34770834     -9.64475683
  H     18.17395107      6.50427721    -12.28245828
  O     18.14099700     10.58527816    -17.98728027
  H     13.07137981      8.01495932    -13.56732728
  H     17.41715821      5.52938268    -11.33042660
  O     16.52506925      8.41739600    -15.13462632
  H     14.25343104      7.11969948    -13.13735636
  H     18.37143610      8.32281602    -10.66703843
  O     13.50661059     11.21376313    -14.45397754
  H     17.49338018     10.97224030    -13.98709627
  H     17.57675403      7.42870669     -9.69147888
  O     16.59000265      5.75049847     -9.71013387
  H     16.51573603     10.38965311    -12.89858355
  H     15.16950159     11.41445752    -17.61578311
  O     12.46028432      8.66202578    -15.26867141
  H     19.46341196      3.63821544    -14.17747167
  H     15.03177978      9.89884769    -17.88725607
  O     17.79216161      5.61489024    -12.21549747
  H     18.53757647      4.72049408    -13.58015124
  H     14.44244497      9.34791054    -12.39987529
  O     17.87601320      8.33411655     -9.83763239
  H     13.95322610      7.37070802    -10.97662320
  H     15.04700040     10.20382012    -11.25847875
  O     15.44315927     10.70755482    -18.21578854
  H     14.65063948      8.14312457     -9.83658486
  H     17.86795166     11.50747267    -16.26874928
  O     14.83178997     10.21149698    -12.19961779
  H     19.53754636      7.38313046    -15.66743704
  H     16.65400608     12.27330546    -15.71780496
  O     17.52845639     11.94108343    -15.47785099
  H     19.68159052      6.12936730    -14.78966786
  H     14.97914854      7.59018659    -17.54493308
  O     14.56744680      8.27628949    -17.00693508
  H     17.44272047      4.54352204    -15.63471096
  H     15.20348264      8.44485325    -16.29153419
          69
 Energy    -250.22525760204314     
  O     -3.19951305     -0.90828575      1.35708075
  H     -2.84961313     -1.06394617      0.46930447
  H      0.38948171     -0.42374593      0.32714842
  O     -0.96803749      3.08712025      1.82689511
  H     -3.83754511     -0.18706195      1.25267939
  H      2.14912909     -0.40681303      1.85631533
  O      0.49187076     -0.28578181      4.83435432
  H     -1.81616363      3.48217119      1.59195045
  H      3.06822767      0.22081261      2.93262314
  O      1.65057909     -3.25099210     -0.59999528
  H     -1.16641331      2.24873303      2.26984834
  H     -0.02375755     -3.66835187     -0.76075136
  O     -2.20601768     -1.35248212     -1.28446541
  H      0.61643578     -1.21078123      4.57618539
  H     -1.07965083     -4.75181798     -1.08899333
  O     -3.84550515      0.72212289     -2.07422551
  H     -0.29199035      0.02472791      4.36538523
  H     -2.11883760      0.13253079      2.48852332
  O     -4.66883124      1.29997328      0.64033965
  H      2.03137911     -2.53440707     -1.12149176
  H     -0.59754532      0.25475778      2.36391381
  O     -2.49338941      3.22029255     -1.66074852
  H      2.11125561     -3.24687302      0.24815681
  H     -1.99604833     -2.27262053      1.85039546
  O      0.12938206      2.67738797     -0.72079780
  H     -1.92267930     -2.27193817     -1.22379006
  H     -1.19911434     -3.30716321      1.00859949
  O      2.62840267     -0.99742708     -2.08504485
  H     -1.39321320     -0.83240460     -1.39328905
  H      2.02253447      2.66602608      3.10601851
  O      0.11819651      0.03241036     -1.42857699
  H     -4.41067597      0.48633114     -2.80625614
  H      0.82537295      3.31588938      2.35507639
  O      0.51420008     -0.62787299      1.26158342
  H     -3.31952212     -0.06681588     -1.86582445
  H      3.16432958     -2.12481504      2.03690346
  O      3.07369681     -0.34355796      2.15103052
  H     -4.52623805      1.16098538     -0.30441726
  H      3.83420545     -3.51191580      2.15520870
  O     -0.98029683     -3.85606659     -0.77812050
  H     -4.33215173      2.18454481      0.82443624
  H      0.02293849     -3.00145822      3.25087545
  O     -1.35643133      0.58347253      2.87157637
  H     -2.88433012      2.37186313     -1.90406965
  H      1.55730332     -3.05230227      3.25203511
  O     -1.20122255     -2.82300214      1.84347765
  H     -1.55004024      3.06602576     -1.52067179
  H      3.01595116      1.56222991      5.15460071
  O      1.78976744      3.29475042      2.41292521
  H      1.04191806      2.98368888     -0.65711416
  H      1.81907100      0.76573863      4.58269496
  O      3.01760287     -3.07844927      1.91831826
  H     -0.25392904      2.78150328      0.16293525
  H      3.47724606      1.64572715     -0.30970169
  O      0.79712457     -2.87517908      3.81639326
  H      3.09273126     -0.38527483     -1.48462302
  H      3.63976086      0.37337418      0.55012004
  O      2.57327068      1.33534725      4.34158977
  H      3.14971635     -1.05314475     -2.88105840
  H     -3.92835670      4.74739003      0.77744893
  O      3.73800584      0.71768886     -0.34804514
  H      0.15977923      0.98500754     -1.26067914
  H     -3.15003863      3.76083890     -0.12724710
  O     -3.44801813      3.92373306      0.78607078
  H      0.96545114     -0.26310564     -1.78394720
  H      2.49078275      3.36972491      0.84544319
  O      2.78385271      3.37715703     -0.08525431
  H      0.04445363     -1.45182705      1.44740475
  H      3.26076040      4.19206914     -0.21673497
          69
 Ord_Energy   -250.225006    
 O    4.75017929       8.86032009      -14.5706825    
 H    5.62502623       9.22523689      -14.6688576    
 H    4.73945904       8.01574612      -15.0564833    
 O   0.147822767       7.89566088      -9.53362942    
 H  -0.504453421       7.41301775      -9.00960445    
 H  -0.290400177       8.64227867      -9.96157455    
 O    2.15652204       9.36073208      -15.6889439    
 H    1.59944379       9.50608540      -14.9141197    
 H    3.06294155       9.34770203      -15.3564444    
 O   -3.31834221       7.49647284      -14.5066032    
 H   -3.50186157       7.81997824      -15.3843727    
 H   -2.35449815       7.36990881      -14.4480267    
 O   0.673583388       9.30712509      -13.2657576    
 H   0.139638528       9.64670277      -12.5392799    
 H   0.179344416       8.56020260      -13.6378527    
 O   -1.61011720       6.09574795      -8.21659756    
 H   -1.07476985       5.30166292      -8.40238476    
 H   -1.95938969       5.99321270      -7.33579206    
 O   -9.00691897E-02   3.96721935      -8.89165783    
 H   0.860154152       4.13371086      -8.84921551    
 H  -0.249810204       3.47916126      -9.70826244    
 O    2.03702974       3.97168231      -11.6270046    
 H    2.37907815       4.09523106      -10.7323761    
 H    1.32868338       3.31628370      -11.5794830    
 O    4.39420986       6.49296713      -15.8563395    
 H    4.01034021       5.97337532      -15.1349287    
 H    3.67436123       6.62647009      -16.4846668    
 O   -3.34061670       4.82300806      -13.4091311    
 H   -3.50110173       5.66210938      -13.8554401    
 H   -3.27937388       5.04047298      -12.4695015    
 O   -2.62883401       5.79041719      -10.8406658    
 H   -1.72463119       5.75787163      -11.1886959    
 H   -2.52543688       5.84597158      -9.88442612    
 O    3.03803182       8.00372028      -12.4899597    
 H    2.21816921       8.47426796      -12.6955729    
 H    3.71725440       8.36565399      -13.0729361    
 O   0.827115715       5.23047876      -15.5377674    
 H    1.14014769       5.75922489      -16.2826614    
 H    1.55353403       5.23713112      -14.8952799    
 O   -1.06328917       9.91670513      -11.0809469    
 H   -1.84649086       9.40785789      -11.3610878    
 H   -1.37489688       10.7762337      -10.8101854    
 O  -0.651003897       7.06465387      -14.1354589    
 H  -0.189044893       6.47755671      -14.7474432    
 H  -0.493222266       6.69733381      -13.2519388    
 O    2.80785537       7.15625715      -9.80249691    
 H    3.00521517       7.45340014      -10.7000637    
 H    1.94760418       7.53775740      -9.57818127    
 O   -3.14015555       8.37782478      -11.8271103    
 H   -3.06831455       7.50588846      -11.4161005    
 H   -3.34654284       8.20824623      -12.7542582    
 O    1.96818912       7.14381695      -17.2841339    
 H    1.96738994       7.95590830      -16.7467384    
 H    1.87372780       7.41797924      -18.1925449    
 O    2.91844273       5.47180271      -13.7174101    
 H    2.72631955       4.82146692      -13.0283117    
 H    2.91773152       6.33594513      -13.2831144    
 O    2.16004606E-02   6.07128334      -11.6754084    
 H   0.204535931       6.69290495      -10.9591274    
 H   0.707472384       5.39568329      -11.6621675    
 O  -0.302595079       2.50993085      -11.4101057    
 H  -0.558542848       2.86508989      -12.2816639    
 H  -0.561535180       1.59220982      -11.4088774    
 O    2.70129085       4.59361172      -8.99634552    
 H    2.79641247       5.53272438      -9.24165058    
 H    3.42407155       4.38555050      -8.41122246    
 O  -0.912809014       3.53587341      -13.8305130    
 H  -0.397744477       3.99009824      -14.5035229    
 H   -1.78115523       3.96500301      -13.7924547    
          69
 Energy    -250.22387314277432     
  O     10.96380138     10.30336859    -11.22131370
  H     10.43022571     10.16184858    -12.01331297
  H     15.37884647     13.44207346    -14.19242454
  O     13.50062167      8.03589867    -15.17423094
  H     11.78391610     10.71669150    -11.51825760
  H     15.35828595      8.57667955    -12.52091198
  O     17.34217515      9.01703225    -10.00942749
  H     12.89563166      8.77928641    -15.04357314
  H     16.13633639      7.63341339    -13.52998451
  O     17.47898724      8.36650674    -16.13506207
  H     14.24823965      8.18285769    -14.57016412
  H     10.36027502      7.90313345     -9.22716184
  O     12.04208352     10.31878535    -14.66272821
  H     17.96334285      9.34928955    -10.66880220
  H     10.92843492      8.77211269    -10.37544010
  O     15.65934720      5.25177534    -10.78392537
  H     17.58658991      8.09542864     -9.85531459
  H     18.81550227      6.62496804    -11.50640760
  O     12.87549405      5.98982971    -13.40449909
  H     16.68295301      8.53310245    -16.65513224
  H     19.19943203      7.86432648    -12.33852161
  O     14.79335668      9.20715588    -10.93183431
  H     17.60333579      9.16039450    -15.60131293
  H     11.08493813      6.50349386    -12.98819872
  O     14.93629947      8.86868115    -17.36808997
  H     12.50213560     10.58013956    -13.85049065
  H     10.40485788      7.13722585    -11.75509785
  O     15.30842489      4.52149830    -13.54196880
  H     11.14041575     10.08243381    -14.41404647
  H     19.84577289     10.34102299    -12.18903020
  O     17.26099833     10.43664788    -14.11436007
  H     14.85153771      5.75629350    -10.61997110
  H     18.48936287     10.06553569    -12.87422530
  O     15.32005140     12.49437964    -14.10275715
  H     15.57460406      4.90012629    -11.67730958
  H     17.36423713      6.92334418    -15.00704449
  O     15.55268173      8.39857644    -13.44934735
  H     13.61675944      5.37618319    -13.47797717
  H     17.95421417      6.44128927    -13.63807575
  O     10.87098994      7.86265118    -10.03089943
  H     13.01586502      6.65819830    -14.09064593
  H     17.15177443      5.86021453    -10.16310590
  O     19.09726570      6.90594679    -12.38646159
  H     14.31023343      8.39460461    -10.73149928
  H     18.29797919      5.71750125     -9.13414447
  O     10.29440765      6.97717693    -12.70096890
  H     15.65746523      9.18047489    -10.49358340
  H     14.45147585     10.64910898    -16.72607106
  O     19.08522531      9.76547052    -12.16823121
  H     14.62397722      8.51557607    -18.19788487
  H     13.26369624     11.09756644    -15.84789274
  O     17.21793320      6.32630281    -14.25924573
  H     14.39267108      8.46534153    -16.67043318
  H     13.17820924      6.58886756    -11.68132677
  O     17.98876520      6.25460454     -9.85831402
  H     15.49491107      3.65973205    -13.90629003
  H     12.51460993      7.12103029    -10.38346812
  O     14.08584444     11.40614371    -16.25468896
  H     16.00484274      5.11808761    -13.86819053
  H     14.09795745     11.66866890    -12.83774022
  O     13.35651950      6.84109899    -10.76376781
  H     16.73477442     11.24416258    -14.11914446
  H     13.93915756     10.49138902    -11.83806397
  O     13.44588335     11.12086501    -12.38631410
  H     16.63425556      9.72295689    -13.91335347
  H      9.81811417      8.52563036    -13.35789154
  O      9.61431919      9.44330173    -13.61355357
  H     14.90884405     12.16117899    -14.92131023
  H      8.69381525      9.46394327    -13.85994194
          69
 Energy    -250.22370030377016     
  O     15.13280588     12.48640491    -14.81513507
  H     16.07603768     12.39900449    -14.64398626
  H     18.18916595      4.54796304    -15.58163779
  O     14.34481320      6.98491968    -13.53993627
  H     14.93012272     11.92253486    -15.57526795
  H     16.73197760      9.19128258    -15.08053095
  O     17.99023688      7.85474244    -11.63355982
  H     15.03484770      6.41304010    -13.17883575
  H     15.25080760      9.54343627    -15.36266235
  O     18.31348205      9.72408830    -15.71219847
  H     14.80860167      7.70852111    -13.98308168
  H     13.90636236     12.41716235    -13.59738530
  O     12.15216956      9.08052007    -16.47536015
  H     17.90190845      7.72779252    -10.68057819
  H     12.75083881     13.15163651    -12.87785130
  O     14.99032910      8.94258584     -8.80320917
  H     17.52163670      8.67570558    -11.84035121
  H     15.82102432      5.36044620    -10.87588222
  O     12.72667133      8.24743124    -11.73723680
  H     18.35253840     10.54703861    -15.21042337
  H     16.17887358      6.06213187     -9.55431604
  O     16.54119551     10.11359582    -12.36916527
  H     18.78362933      9.03861832    -15.21000016
  H     12.32760796     10.75449653    -13.61094673
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  H     11.30482580      9.19143884    -16.89908010
  H     12.06234178      9.30841004    -13.14491606
  O     16.03939898      6.74825961    -16.62318395
  H     12.04160162      9.36388721    -15.54928627
  H     18.86529390      6.81142692    -14.51239893
  O     13.35397782      6.48211091    -16.16329552
  H     14.75004112      9.63040332     -9.43656512
  H     18.95998908      7.70637241    -13.25906950
  O     17.82005465      5.29206460    -15.11238802
  H     14.29958130      8.27101387     -8.87168221
  H     17.07916319      6.39958356    -12.26606659
  O     15.82270693      8.99798314    -14.80460337
  H     12.71754114      7.73423467    -10.92070230
  H     16.99817227      5.35787197    -13.40932813
  O     13.20335672     12.31396999    -12.93125662
  H     13.26715344      7.74556998    -12.36758264
  H     17.75160398      7.54234317     -8.10265821
  O     15.50498310      5.51480984     -9.97669061
  H     15.77528724     10.29473065    -11.80849569
  H     16.51466272      8.09080613     -8.85447360
  O     11.98404420      9.90196182    -13.90246093
  H     16.19502778      9.72719675    -13.18663599
  H     16.49750914      8.29035043    -17.86262203
  O     19.21132819      7.65209495    -14.19005848
  H     13.96313960      6.25888920     -9.61418827
  H     17.36119294      9.46586616    -17.37785397
  O     16.57473659      5.63766663    -12.58921269
  H     12.64222156      6.24486248     -8.80858161
  H     13.82903860     11.23358569    -11.54841918
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  H     16.05357511      7.52566103    -16.05102517
  H     13.65873691      9.72411790    -11.25097241
  O     16.63905936      9.23675929    -17.97936259
  H     15.10469857      6.49284077    -16.64741153
  H     17.47527587     11.36889789    -13.27449326
  O     14.17660153     10.50878150    -11.01374990
  H     13.52903871      6.48947029    -15.21266984
  H     18.43706563     12.55415372    -13.52237431
  O     17.86583307     11.93082303    -13.96477810
  H     12.88878375      7.30764619    -16.34592969
  H     13.70492272     10.06114439    -16.80491519
  O     14.54316467     10.53116966    -16.71239564
  H     17.19811667      5.72531354    -15.72064186
  H     15.19294127     10.14020779    -17.31621877
          69
 Energy    -250.22271859414604     
  O     11.01624935     12.70044864    -10.09319059
  H     11.68430494     13.39402462    -10.20658719
  H     15.31203900      9.93678867    -10.94848675
  O     11.72072277      7.36412201    -15.74181096
  H     10.66568385     12.49394651    -10.96453207
  H     14.16450911      7.45392187    -11.97299922
  O     11.59438712      9.11367466     -9.71125417
  H     11.53279802      6.58995986    -16.26488613
  H     15.35569582      7.93343573    -11.11340269
  O     13.26285037      8.09413995    -13.48440333
  H     10.86646142      7.69542990    -15.41056737
  H     14.99526567     14.34798655    -12.73900938
  O     12.33331697     10.11272902    -16.31835602
  H     12.15055735      8.41507179     -9.34329272
  H     14.34994406     15.52137918    -13.51939447
  O     10.88158197      9.05196988    -12.32205588
  H     11.47324307      9.78084056     -9.02331015
  H     13.92389691      7.24025162     -9.59864597
  O     14.19178990      9.82681940     -7.51986493
  H     13.74372167      8.86447085    -13.81929065
  H     13.44457963      6.44947536     -8.35692414
  O     13.72448466     10.70550048    -10.91213130
  H     12.82614944      7.69138009    -14.24558057
  H     17.88935258     10.52587762    -13.50265490
  O     11.67896032     11.23283419     -7.93269576
  H     12.18292732      9.16015881    -16.27702380
  H     16.81905086     10.31092336    -12.40735882
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  H     13.16084117     10.26391951    -15.84442151
  H     10.08289585     11.73487899    -13.72220733
  O     13.03382226     12.22095049    -13.13393288
  H     10.97574484      8.99471247    -11.36127326
  H     10.49155267     10.80753441    -12.56615757
  O     16.22330620      9.60141098    -10.89365569
  H     11.72001063      8.75041945    -12.69767211
  H     14.60676821     12.04152349    -10.02073459
  O     14.65729812      7.26811248    -11.16256538
  H     13.97343975      8.94871629     -7.85687669
  H     15.81524001     12.19439257     -9.08736934
  O     14.14731872     14.77316297    -12.96555037
  H     13.39970789     10.36768576     -7.62262487
  H     15.40871439     10.50252275    -14.21772951
  O     13.48980573      7.32528232     -8.73021229
  H     12.97617789     10.21192269    -10.56277159
  H     13.98097494     11.07885654    -14.06479431
  O     17.01032983     10.78334536    -13.23554508
  H     13.41992335     11.23590954    -11.66076438
  H     10.83634675     10.92981343    -15.84801153
  O     10.35614858     11.74000232    -12.79579153
  H     11.44232139     11.80012760     -8.69009781
  H      9.60050050     11.73968254    -16.29970397
  O     15.22299811     12.69611944     -9.65761872
  H     11.16897745     11.54870068     -7.19154717
  H     15.78310507     10.35097598     -7.94860518
  O     14.49742749     10.38574513    -14.50694837
  H     16.60240745     12.55657253    -12.57987465
  H     17.25657196     10.61526133     -7.55525299
  O      9.96990008     11.26717589    -15.55838380
  H     16.06152942     13.16623185    -11.26422640
  H     13.86958772     14.02400429     -9.91801078
  O     16.64766589     10.64950608     -8.28744185
  H     12.07073212     12.17831158    -13.06615012
  H     13.40389517     14.75851430    -11.18308539
  O     13.11668991     14.49210634    -10.30208530
  H     13.31121806     13.14475738    -13.11908925
  H      9.81589194      8.63774798    -13.78364135
  O      9.50683029      8.54790810    -14.69703975
  H     16.54795665      9.87455460    -10.02754103
  H      9.47060580      9.44843140    -15.04137159
          69
 Energy    -250.22018697718579     
  O     20.73323065     11.98895487    -18.43776528
  H     21.54465228     11.73222023    -18.86729290
  H     19.15081058     16.11238357    -19.35050058
  O     17.90185484     17.21681044    -15.04151763
  H     20.86310591     12.89458710    -18.10322883
  H     14.96862097     11.04029554    -13.32537167
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  H     18.11481246     16.31892631    -15.33949212
  H     14.49467794     12.35878207    -13.97163835
  O     15.29923053     14.11200377    -14.01300133
  H     17.18392007     17.13241990    -14.40168450
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  O     16.60652483     11.80163049    -17.51306295
  H     21.21067332     15.35248818    -14.25194975
  H     17.16851800     12.05567501    -12.46944057
  O     16.50547697     10.33184279    -12.40851736
  H     22.63995179     14.77279669    -14.36204840
  H     18.09388460      9.84755450    -15.29406284
  O     14.96546346      9.95812604    -16.19888234
  H     15.43278350     14.17786264    -14.97050100
  H     16.60730040      9.43783790    -15.33876211
  O     20.93826406     14.49514956    -17.42968094
  H     16.08577169     13.70441931    -13.61796445
  H     16.56439987     15.94404492    -19.28362687
  O     15.88083031     16.66156827    -13.14507737
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  H     16.50387622     17.07756785    -18.25111921
  O     19.70705178     12.78320134    -14.26013121
  H     15.98841787     11.14088120    -17.17868766
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  O     18.21937009     12.64498688    -19.64634908
  H     16.89008424      9.94867220    -13.21754661
  H     19.57118730     16.06868749    -12.72378434
  O     19.70618509     16.54402267    -18.68730692
  H     16.55305698      9.66038862    -11.73374866
  H     17.81976171     18.02939609    -16.59727263
  O     14.36028478     11.40331827    -13.98174846
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  H     17.75768597     19.28078070    -17.50301455
  O     17.46914200     12.94199062    -12.70315684
  H     14.22859448      9.41306498    -16.46060784
  H     17.38045787     15.99673259    -12.04106229
  O     17.40371649      9.39483695    -14.79392993
  H     21.31234769     14.70184082    -16.56414994
  H     17.92705997     14.57399326    -11.89263004
  O     16.00576802     16.32609354    -18.59429754
  H     20.65894777     15.31082618    -17.87597853
  H     19.70533397     11.24744838    -17.06149117
  O     20.13354180     16.41507166    -13.43244825
  H     15.12421066     17.11926223    -12.78764557
  H     18.20318674     11.38795001    -16.72730726
  O     17.79662556     18.32817898    -17.52247034
  H     15.56723210     15.78709391    -13.43081205
  H     19.19533565     14.64720884    -16.63217515
  O     18.14301763     15.50048109    -11.72239169
  H     19.59631887     12.14536702    -14.98124083
  H     18.80556946     14.06566615    -15.26235173
  O     19.05625806     11.10915629    -16.36119289
  H     20.52667686     13.27403001    -14.39175440
  H     17.82335681     15.23377072    -21.37398779
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  O     15.91292528     14.33915015    -16.70217947
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  H     16.84662931     14.43373552    -16.45469198
          69
 Energy    -250.21997835615269     
  O     -3.53958654      1.94168247      4.35847993
  H     -3.76985406      1.02672217      4.57716627
  H     -3.76704496      1.98721794      0.26355623
  O      0.09695177      5.19823170     -0.03921186
  H     -4.19664020      2.53721881      4.73614902
  H     -7.23401940      3.09049627      0.57982286
  O     -0.28870260      0.58814545      1.80771383
  H      0.35975834      4.33258910     -0.40034824
  H     -7.94804352      4.33148133      1.15385630
  O     -4.91874799     -1.02455491     -1.29744212
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  O     -2.41777031     -1.76040176     -0.65874994
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  H      0.19176248      2.02994387     -0.99275692
  O     -4.15015642      1.10188351      1.72090447
  H     -0.59516827      0.67872845      0.89309836
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  O     -7.17407201      2.11193312      3.65252597
  H     -5.51089297     -0.94813204     -0.53675795
  H     -5.18925292      4.31222338      4.12097052
  O     -1.35642173      2.88088623      3.02028188
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  O     -5.14371893      1.59346142     -2.42507341
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  O     -6.38857948     -0.33168283      0.97955334
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  H      0.80542813      4.68935886      1.70842475
  O     -7.20295134      3.75152232      1.29242087
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  H     -6.67261598      2.68866294      4.24159387
  H      3.10494589      1.77022343      1.84665536
  O     -5.42582552      3.90667978      4.97661815
  H     -1.00920100      2.07109352      2.62275091
  H      1.89039342      2.72365512      1.95822298
  O     -2.41116041      4.53533666      1.05471144
  H     -2.07211815      2.60925602      3.61148864
  H     -7.07213300      0.37017241      3.72154330
  O     -4.86342711      4.81431914      2.49558677
  H     -4.95919014      1.96320828     -3.28435797
  H     -7.66930268     -0.95072882      4.26005682
  O      1.06382927      4.17924729      2.48547668
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  H     -2.48945416     -1.49154724      1.22675976
  O      2.20029880      1.88531491      1.56998149
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  O     -6.97342435     -0.59960423      3.71085825
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  H     -3.64819755     -1.06627941      3.74746432
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  O     -7.30286747      1.80689265     -0.57682720
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  H     -6.67785077      1.77626193     -1.31035519
          69
 Energy    -250.21891139791268     
  O     -8.38213736     -2.39124274      5.82136946
  H     -7.45246617     -2.17734035      5.96609767
  H     -3.19813831      1.20352476      1.96199563
  O    -10.63916271     -2.20858250      2.11347945
  H     -8.90642448     -1.65614791      6.15991674
  H     -7.40863784     -0.71465239      2.95394008
  O     -8.88477928     -3.86781673      3.62783020
  H    -10.16909399     -2.87984153      2.62374646
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  O     -6.47769688      0.83492334      5.62442473
  H    -10.73633797     -1.45404597      2.71156408
  H     -5.25174636     -1.76652103      5.10136201
  O     -4.31814088      5.81910106      2.11042244
  H     -8.74807539     -3.35913286      4.44805025
  H     -4.93792322     -2.20524646      6.55258684
  O     -8.39943578      1.23020810      0.70881017
  H     -8.93200947     -4.78624078      3.87809290
  H     -0.87186217      2.31629514      1.47723123
  O    -10.08517056     -0.22234275      6.65297565
  H     -6.89955835      0.64969379      4.76948215
  H     -1.95328245      3.04033537      2.31531963
  O     -4.76908561     -1.65917922      3.44075159
  H     -6.12883696     -0.00859735      5.93612471
  H     -9.16535474      4.88373101      4.29977382
  O     -3.80065161      3.97454532      0.18315807
  H     -4.22563332      6.71666088      1.80335635
  H     -7.95478716      4.06523664      3.80834793
  O    -10.41993192     -0.05117004      3.86489372
  H     -4.12044007      5.23974186      1.35203942
  H    -10.56783276      1.54699777      2.86895709
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  H     -9.88053463      2.92359598      2.92579156
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  H     -7.66390549     -2.95912416      2.56928365
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  H    -10.65634234     -0.21227613      7.41613947
  H     -7.61363009     -2.09754412      1.28295887
  O     -5.59633413     -1.77592035      6.01356361
  H     -9.66497579      0.65533736      6.60557456
  H     -8.90176635      2.78087337      5.64540986
  O     -1.81390374      2.42817962      1.57052446
  H     -4.44897401     -0.84985729      3.02155588
  H     -7.91464215      1.75840957      6.23806753
  O     -8.86508175      3.99160158      4.13823200
  H     -5.45484388     -2.01209956      2.85834658
  H     -3.03950162      4.82374680      3.20240972
  O    -10.31778143      2.30672304      2.32592290
  H     -3.05064056      3.44421068      0.47885983
  H     -3.12798151      3.58045787      4.10787616
  O     -7.10889112     -2.34681894      2.06674671
  H     -4.57552276      3.40009518      0.26408973
  H     -5.13858587      1.90278678      5.06911843
  O     -8.79671495      2.14071512      6.35787846
  H     -9.46665919      0.00171839      3.69828664
  H     -4.30380478      1.79576752      3.77606820
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  H    -10.50983036     -0.13464003      4.82070678
  H     -6.15388011      2.99279847      1.72832870
  O     -4.51990124      2.39014070      4.50919724
  H     -9.26508437     -1.83887867     -0.73111688
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  H     -9.65871753     -1.72989761      0.76278832
  H     -5.68432754      3.54989422      3.75125489
  O     -6.26047240      4.12334396      3.22410635
  H     -4.73407691      1.23732982      1.75221645
  H     -5.70114668      4.83175976      2.88005462
          69
 Energy    -250.21725914592400     
  O     13.96430412      2.82312657    -10.88443973
  H     13.99514295      1.88617342    -10.65513545
  H     13.92689284     10.62569511     -9.66455754
  O     12.16483507      3.12525208    -13.00357452
  H     13.35503211      2.89915300    -11.63375764
  H     14.25386193      7.16190589    -12.64153284
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  H     11.58520001      3.81036742    -12.65049868
  H     14.11924713      5.95544805    -11.68072468
  O     11.55841864      7.26595861    -13.82242353
  H     12.74246070      3.56766799    -13.64434038
  H     12.31836747      5.43325936    -10.68607643
  O     12.99468049      0.44278655    -13.34772254
  H     16.91958793      3.93731901    -11.92666466
  H     13.45510199      4.45984887    -10.26237163
  O     14.15716629      0.02782943    -10.74161695
  H     15.69246078      3.05081689    -11.55583583
  H     15.23633666     -0.48491705    -15.41612040
  O     16.61394280      9.82247336    -11.20973367
  H     11.93441180      7.05272977    -14.68429596
  H     14.43894821      0.28535392    -14.33705003
  O     13.94838964      4.51544035    -14.55392880
  H     12.14167698      7.94004058    -13.44616937
  H      9.97537679      5.56613266    -11.71316933
  O     15.89934490      9.76795956    -13.97172394
  H     13.24109011      0.21069535    -12.44376285
  H     11.11004126      6.08227236    -12.62636331
  O     15.63792462      7.65760396    -15.58596465
  H     12.55728038      1.30243757    -13.29416784
  H     16.30191285      5.95434047    -12.31753101
  O     17.30278444      5.52556077    -14.98136734
  H     15.02810776      0.01315284    -11.17879553
  H     17.49960034      6.27295754    -11.40227173
  O     14.13160805      9.82451507    -10.13873867
  H     14.15611257     -0.67849037    -10.10197590
  H     16.35982314      2.93535502    -13.77668610
  O     14.54898659      6.25558296    -12.49198268
  H     17.05518369      9.02651250    -10.88842968
  H     15.92711183      1.98036249    -14.90990199
  O     13.16527016      5.38315663    -10.22418102
  H     16.52669466      9.73985668    -12.16797970
  H     16.71291761      1.16052017    -12.03144281
  O     15.30505491      0.21951250    -14.77744644
  H     14.19357042      5.14659828    -13.85936839
  H     16.22955364      0.12664884    -13.06801178
  O     10.89159763      5.42750278    -11.93880876
  H     14.71317203      3.94706322    -14.71462429
  H     13.32931539      5.69994078    -15.69111515
  O     17.23031535      5.72752081    -12.14997388
  H     15.86899546      9.00304262    -14.57564788
  H     12.76685651      6.21292352    -17.03777334
  O     16.16681980      2.89632504    -14.72575292
  H     16.11367344     10.52677823    -14.50786214
  H     14.53536083      8.13241858     -9.35156035
  O     16.47520596      0.22904290    -12.14023512
  H     16.22484321      6.89767236    -15.45574487
  H     14.27515072      6.60989211     -9.35200114
  O     13.03135883      6.49572464    -16.16588839
  H     14.78097936      7.31777400    -15.86070991
  H     16.60127799      7.31021677     -9.58852193
  O     14.91851243      7.28348473     -9.09765901
  H     17.05034812      4.60129382    -15.08825053
  H     18.09088063      7.41588550     -9.18349279
  O     17.50530145      7.41810679     -9.93609468
  H     17.48376471      5.63600365    -14.03842100
  H     13.60067877      9.21779093    -11.81844821
  O     13.54662006      8.88325567    -12.72271400
  H     15.04355825      9.91709738    -10.47310113
  H     14.27424044      9.28837836    -13.21329297
          69
 Energy    -250.21618794822788     
  O     11.03859563      9.28356142    -13.63330396
  H     11.53610960      9.08572487    -14.43925692
  H     15.54622258      8.21713403    -11.44597464
  O     15.33939000     10.45852103    -13.20784879
  H     10.69097388      8.44009354    -13.32023149
  H     15.05275511      3.33517959    -11.07579964
  O     14.77285082      4.56898255    -13.90489403
  H     15.84804304      9.80079250    -12.71401285
  H     13.95235475      4.39198967    -10.82570384
  O     16.70877985      3.27712812    -10.40225867
  H     14.49505885     10.55949114    -12.75333152
  H     13.79361715      6.07648434    -13.67353977
  O     15.20719134     10.02662107    -15.84967449
  H     14.60583470      4.16904336    -13.03981325
  H     13.24066685      7.43813006    -14.22339934
  O     12.85232212      8.52073082    -15.66753997
  H     15.59246613      5.07727050    -13.84408262
  H     13.55130704      6.25082302    -18.31523814
  O     12.74852512     10.54334863    -11.91969511
  H     16.56865061      3.87929277     -9.66054845
  H     13.32993894      5.65146944    -16.90706707
  O     11.45355248      3.14611802    -11.75970793
  H     17.35747467      3.70736012    -10.97373393
  H     13.61314765      4.25481321    -15.26517458
  O     15.96795315      5.29437126     -8.48072171
  H     15.30180762     10.22747289    -14.90059837
  H     12.07574618      4.24821320    -15.41538679
  O     18.49213579      4.81575367    -12.03055291
  H     15.50210045     10.79771016    -16.32565416
  H     16.73887242      6.65231477    -14.60786470
  O     17.89090996      6.78169156    -10.02024758
  H     13.59865216      9.12869862    -15.75827595
  H     16.73810732      7.03724271    -13.09725021
  O     16.44529710      8.29871528    -11.79243328
  H     12.97709870      7.83843432    -16.34086257
  H     15.33377213      6.93905978    -16.59537388
  O     14.18560748      3.63844830    -11.38298708
  H     12.10189297     10.14755767    -12.53041428
  H     15.89919130      8.26583780    -16.06821470
  O     13.29555729      6.87018467    -13.44448196
  H     12.34125274     11.32543292    -11.55715566
  H      9.67757791      4.04979669    -14.60341157
  O     13.61190996      6.45189638    -17.38547457
  H     11.22262126      3.34610524    -12.67409412
  H     10.48538305      5.09050818    -13.79803391
  O     12.89728179      4.31679425    -15.91485074
  H     12.41963507      3.12935109    -11.70657919
  H     13.38869555      8.96680215    -11.15535660
  O     16.92845745      6.31976013    -13.71788370
  H     15.90649005      5.22709950     -7.53068580
  H     13.63033129      7.64728585    -11.92376861
  O     16.08290775      7.31952554    -16.12285425
  H     15.06926882      5.46659738     -8.80436632
  H     11.60363648      6.64197264    -12.95560480
  O     10.55167381      4.24694002    -14.27397597
  H     19.32345032      4.57277496    -12.43057233
  H     10.62587194      6.24648405    -11.81717918
  O     13.76965492      8.08539840    -11.06746408
  H     17.99536954      5.31092214    -12.70327127
  H     10.04508876      5.02318878     -9.59644130
  O     10.66278081      6.55653413    -12.72980221
  H     18.23160770      6.10101858    -10.61426086
  H     10.95339325      4.42211878    -10.69768688
  O     10.76865414      5.22928498    -10.18226514
  H     17.27799549      6.33082251     -9.42663071
  H     13.61180099      6.64452433    -10.06027694
  O     13.48966797      5.77947230     -9.63984584
  H     17.03032852      7.90405924    -11.12965479
  H     12.54223413      5.59945732     -9.66628568
          69
 Energy    -250.21377623556833     
  O     13.19406747     12.55937866    -14.02275838
  H     14.08138261     12.92818579    -13.94560837
  H     17.39032607      4.77838269    -14.20728984
  O     14.42203579      6.55280575    -13.75225062
  H     13.24954064     11.90437178    -14.73364309
  H     17.86921935     11.11663007    -15.46766789
  O     18.56405370      9.82278183    -12.19094954
  H     15.24708458      6.05849826    -13.69255202
  H     16.68176005     11.29366315    -16.45085417
  O     17.45550804      7.81765043    -15.20897147
  H     14.67079943      7.48312465    -13.88541375
  H     15.55148643      9.73014089    -13.49799559
  O     11.47714758      8.69076061    -15.90686537
  H     18.55455992      9.21326467    -11.44532872
  H     14.65557167      9.61647018    -14.76564950
  O     15.62664343      8.76106863     -9.04656717
  H     17.70948535     10.27781048    -12.15378983
  H     12.24837856     11.92912147    -12.73671765
  O     13.04901813      7.44078959    -11.54390897
  H     16.67841176      8.30111726    -14.88557444
  H     11.08710308     12.11822057    -11.72961796
  O     16.04864023     10.92904074    -12.21886968
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  H     16.98293057      5.73903768    -11.85001085
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  H     17.39205764      6.61082330    -10.63845537
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  H     10.59414590      8.66133187    -16.26501655
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  H     11.36272430      9.80617983    -12.82482535
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  H     15.02812486      9.34596725     -9.52749300
  H     20.15379420     10.11292619    -14.89476074
  O     17.15804410     11.71497375    -15.72568078
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  H     13.39690688      6.96586212    -10.77963085
  H     18.72742300      8.17699438     -9.15012419
  O     11.74713850     11.49586337    -12.02161728
  H     15.26664939     10.73286828    -11.68497983
  H     17.27728929      8.47685009     -9.58725776
  O     16.83508748      5.86855836    -10.90625659
  H     15.93751865     11.78702854    -12.64635355
  H     15.65319803     10.74018684    -18.72639121
  O     11.30082669      8.92513598    -13.21288386
  H     16.50705401      7.68645480    -16.85497562
  H     15.70554655      9.51861375    -17.77674885
  O     19.22339678      9.93510052    -14.79009600
  H     15.03247655      7.40913009    -17.24071425
  H     13.59733290      9.15240640    -11.11224658
  O     18.14912953      8.18466941     -9.90884158
  H     14.39154925      5.41260573     -8.94536916
  H     13.09744452     10.61405619    -11.10189830
  O     15.59402653     10.48662519    -17.80951221
  H     15.32973598      5.98303716    -10.03656566
  H     16.37413119     12.71801164    -14.54471321
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  H     16.40192223     14.05182559    -13.76104715
  O     15.93826407     13.22217048    -13.83334945
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  H     14.14095593     10.56111519    -16.66352200
  O     13.55307661     10.55750257    -15.89761246
  H     17.31282461      6.32055350    -14.25582518
  H     12.83123817      9.93445122    -16.05308841
          69
 Energy    -250.21343804190383     
  O     -3.75356385      1.60530939      1.39370987
  H     -3.77576718      1.07667702      2.21067212
  H      2.34428567     -2.18763226      3.07777173
  O     -3.14657156     -2.76111147      7.02866617
  H     -4.09119332      2.46877686      1.61663281
  H     -1.00821213     -1.08256369      2.72247608
  O     -1.01576863     -0.19049325      4.30558299
  H     -2.30410566     -2.69951153      6.54894643
  H     -1.04889505     -0.82026467      1.19500626
  O     -3.68381175     -0.02068258      3.57034629
  H     -2.93278124     -2.78518343      7.95801420
  H     -3.38683445     -3.25947901      1.31998714
  O      1.77375622     -3.46558898      5.75777758
  H     -0.87501997     -1.01208095      4.79893008
  H     -1.90663706     -2.87542510      1.38266197
  O     -4.05099522     -4.78811437      5.19761560
  H     -0.15806496      0.18776495      4.07245056
  H      1.66888188     -2.82216501      0.78098624
  O     -0.88787015     -2.71601267      5.45102673
  H     -2.76942424     -0.00492533      3.88347455
  H      0.60504088     -2.48577288      1.82546270
  O      0.94907122     -5.11216187      3.49073106
  H     -4.23197084     -0.34395585      4.30084082
  H     -4.30966769     -1.49178910      2.52472602
  O     -6.13565182     -3.50937152      4.04662551
  H      2.14662322     -2.81014157      5.13948055
  H     -5.31531968     -2.66376395      2.61882187
  O     -1.45346171      0.62037469      0.06701890
  H      2.45671657     -3.66907817      6.39032228
  H      1.98349190     -2.23865432     -1.72664003
  O     -1.08341961     -2.86226472     -1.24144110
  H     -3.78909177     -4.22530935      5.93572533
  H      0.58968275     -2.34402207     -1.06885890
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  H     -3.26333035     -4.88130046      4.64316202
  H      1.40732942      0.66706821      2.29213565
  O     -0.92827415     -1.50837789      1.86154640
  H     -1.21115683     -3.33286320      4.77709035
  H      1.84539594      1.63802821      3.40873290
  O     -2.50288275     -3.60045659      1.13111585
  H      0.01695436     -2.97861058      5.66469613
  H      1.48861479     -0.32793927      0.05323228
  O      1.42833002     -2.98122891      1.70027748
  H      1.31758479     -4.72836775      4.29426127
  H      0.38771423      0.71385513      0.29231342
  O     -4.74989474     -2.17825102      2.00541646
  H      1.17902476     -4.49657075      2.78029434
  H     -3.10670885     -0.50992155     -2.87592301
  O      1.50155209     -2.03033974     -0.93079564
  H     -6.93455207     -4.02508594      4.11006761
  H     -3.59397944     -0.72637894     -1.42366816
  O      1.43016696      0.79255803      3.25747713
  H     -5.42035649     -4.04783424      4.43173361
  H     -5.59088176     -1.98063318      5.09851119
  O      1.29425149      0.48229521      0.53887000
  H     -1.82766668      0.20777882     -0.72212517
  H     -4.47062069     -1.72312530      6.12338667
  O     -2.80981206     -0.74685031     -2.00154927
  H     -2.18386886      1.05860963      0.52176800
  H     -0.84076816     -4.97837690      3.55629439
  O     -5.09500548     -1.27784479      5.53664987
  H     -1.69107969     -2.20097622     -1.59577169
  H     -2.03294155     -4.40721835      2.73152996
  O     -1.74695517     -4.64260779      3.62325538
  H     -1.57053989     -3.31292122     -0.54052021
  H     -4.94059448     -1.17544793      0.45220449
  O     -4.83752249     -0.49883166     -0.23082729
  H      2.31485103     -0.81354817      3.76177883
  H     -4.61482499      0.31010051      0.24598216
          69
 Energy    -250.21260528879367     
  O     14.85765457     12.71729040    -14.65921054
  H     15.81590053     12.61828688    -14.64308484
  H     18.48032420      5.25127951    -13.98090685
  O     14.05244927      6.94001994    -13.51212559
  H     14.54608576     12.68473235    -13.74655792
  H     17.13272100     10.29792209    -17.60119661
  O     17.93024679      8.01259968    -11.60259170
  H     14.77364921      6.42373072    -13.12818833
  H     18.49741450     10.86740921    -18.04887649
  O     18.05083610      8.26800580    -15.73594653
  H     13.70192175      7.48751920    -12.79580322
  H     15.03141439      8.20112671    -14.34045119
  O     11.46343153      9.57006750    -15.44547375
  H     17.63679857      8.19248305    -10.70176334
  H     14.99093117      9.47495227    -15.24419591
  O     13.37352516      8.52018421    -11.32636438
  H     17.75344524      8.82210480    -12.10333452
  H     13.09270936     13.21880264    -11.75331012
  O     17.08461551     10.29713750    -12.94338667
  H     17.16494012      8.43692780    -15.37794827
  H     12.97176304     11.80439026    -12.36859871
  O     14.77806452      6.87022988    -17.84279506
  H     18.24277553      9.01995113    -16.30422756
  H     12.26506926      9.69846154    -12.28071454
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  H     10.60431465      9.59048946    -15.85815821
  H     11.75566102     10.14450930    -13.67694231
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  H     19.03931335      7.17977289    -12.90929744
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  H     13.66994054      7.80223762    -10.74788911
  H     19.01947847      7.34568990    -14.44241908
  O     17.86402922      4.50617224    -14.10568721
  H     14.01530876      9.23203341    -11.20479159
  H     16.71819331      5.23318114    -12.80902606
  O     17.97468575     10.66883069    -17.27644979
  H     17.46842017     10.98680543    -13.49448028
  H     16.81980752      6.57336185    -12.04294907
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  H     16.48137448      9.80608357    -13.52554033
  H     16.80222082      9.13875926     -8.36475339
  O     13.60770998     12.48530752    -12.07902118
  H     15.49331475      6.43850555    -17.34300195
  H     16.09215904      9.48906998     -9.69123165
  O     11.97661906     10.46459107    -12.79451807
  H     14.61689798      6.32428955    -18.60870237
  H     15.39102257      8.67213583    -18.07164683
  O     19.32791012      6.76515416    -13.73221345
  H     15.40221566      7.24477256     -9.51745083
  H     14.96707364     10.05707986    -17.55006188
  O     16.23477725      5.82270905    -12.21781039
  H     15.23195213      6.15636756    -10.59309032
  H     14.71431992     11.32808104    -11.13547331
  O     16.57480810      8.78797091     -9.22232871
  H     17.39068829      6.63741504    -16.32546396
  H     15.95965352     10.53891531    -11.58457332
  O     15.63804969      9.60404861    -18.08262020
  H     17.08926702      5.25712838    -15.72275789
  H     18.34007766     12.91239543    -14.99934415
  O     15.29049815     10.59514961    -10.88552895
  H     13.36352639      7.10421128    -16.59778527
  H     17.79933398     11.67926864    -15.75129691
  O     17.72233276     12.18804886    -14.92870983
  H     13.09992378      6.95777955    -15.08069159
  H     13.03792121     10.40505746    -15.98411670
  O     13.94305017     10.65747299    -16.19886940
  H     18.38619349      3.70901625    -14.07514360
  H     14.16974831     11.45461105    -15.69696289
          69
 Energy    -250.21239006000866     
  O     20.21569843     12.63018285    -19.11583818
  H     20.66071729     12.31002653    -19.89612598
  H     20.50044177     16.76996015    -17.66240644
  O     18.81537894     17.58985173    -13.97878966
  H     20.90292779     13.00356744    -18.53515120
  H     14.60226989     13.33396736    -13.87341134
  O     22.45512087     12.95441534    -14.72730929
  H     19.77491891     17.67732465    -14.06492980
  H     13.15577609     12.84044524    -13.65594865
  O     16.00653262     14.40983895    -13.51621696
  H     18.40246413     17.85819558    -14.81468238
  H     18.53156981     12.33646201    -13.68804820
  O     16.35191006     13.35017662    -17.90411868
  H     22.29941435     13.64612661    -14.06379339
  H     17.24844274     11.67843269    -13.10788918
  O     15.94687148     10.58899608    -13.69349813
  H     23.17418847     12.41837470    -14.40127869
  H     16.48625536      8.96581465    -16.80546241
  O     14.34739868     11.81167858    -16.83994627
  H     16.66578002     13.71536141    -13.36716322
  H     17.14848293     10.35969970    -16.75899960
  O     22.05542357     13.75715531    -17.47941170
  H     16.29299222     15.16635520    -12.99001888
  H     16.99171985     17.19637108    -16.35962594
  O     17.27067068     16.48133825    -12.07737391
  H     17.07258648     12.74815289    -17.67616467
  H     18.07935041     17.87675561    -17.20891235
  O     19.69547646     12.52090546    -15.04689122
  H     15.53638193     12.88596115    -17.66600848
  H     22.40367303     15.11875254    -12.05883534
  O     18.33830897     14.81026958    -19.27658697
  H     15.17239892     11.15834487    -13.78044602
  H     20.96776980     14.74485892    -12.48356775
  O     20.98328818     16.26882152    -16.99421945
  H     16.11762993     10.24153959    -14.57776343
  H     21.51014046     17.04183760    -15.34069355
  O     13.96789408     12.63961927    -14.11488262
  H     14.12335415     12.11528870    -15.95152441
  H     21.71262864     16.48488057    -13.91339300
  O     17.87318981     12.40717883    -12.98249063
  H     14.92031583     11.04388517    -16.71862472
  H     18.87839083     13.71085674    -12.11228256
  O     16.40472500      9.83505496    -16.42040755
  H     22.28781620     13.46380239    -16.59221493
  H     18.69420617     15.20777711    -11.81181071
  O     17.57065024     17.97100940    -16.39509564
  H     21.80943522     14.68971757    -17.39299114
  H     19.01906861     11.77061757    -17.98634597
  O     21.87302168     14.88235837    -12.81635654
  H     16.98158967     17.12619631    -11.43744340
  H     18.86506705     11.80519593    -16.45054418
  O     21.50921095     17.28853567    -14.40568958
  H     17.80075550     16.96114269    -12.73983049
  H     19.07044983     15.85332547    -14.75704437
  O     19.36063322     14.51441696    -11.87490110
  H     20.65152214     12.48679591    -14.93713218
  H     18.13798164     15.18952693    -15.77857286
  O     18.42503872     11.52362596    -17.26638227
  H     19.46676670     13.45832071    -15.16500320
  H     19.07107828     17.86846896    -19.57363965
  O     19.01893870     15.12345675    -15.38611759
  H     17.53307191     14.39614299    -18.94138256
  H     18.79138775     16.46621311    -18.98426390
  O     19.09992914     17.36420868    -18.76507958
  H     19.00465888     14.11343954    -19.29245195
  H     16.12886330     15.08922203    -15.24422841
  O     16.36226726     15.44591191    -16.11124620
  H     20.30070731     15.81065390    -16.47960078
  H     16.25455037     14.73811210    -16.76138457
          69
 Energy    -250.21103264194309     
  O     13.64488698     13.64276829    -14.97668687
  H     14.15817161     13.46948671    -15.77576317
  H     13.91921151     10.43957018    -14.79887906
  O     17.76775286      7.47347877    -15.66389423
  H     14.10283011     14.36854794    -14.53543083
  H     16.93750968      9.87349124    -17.73124262
  O     14.92675973     11.18990378    -11.62589266
  H     16.89308508      7.40532087    -15.24389983
  H     17.81577208      8.92167115    -16.87989224
  O     17.78481072     15.49932288    -14.71438381
  H     18.04839260      6.58225534    -15.85706874
  H     14.43369669      9.95671359    -18.55517193
  O     15.34407730      7.58571640    -14.42981403
  H     15.51005523     10.44601701    -11.83043550
  H     14.82796334     10.16860406    -17.07330501
  O     13.14121762      9.66922597    -10.11023772
  H     15.44712865     12.00107323    -11.69801307
  H     19.31004993     13.05583124    -13.30650941
  O     14.77813655      7.50717796    -10.19812869
  H     17.95610873     15.10009489    -15.58008076
  H     19.89494869     14.00495035    -12.23454830
  O     16.63707909     11.83122046    -14.63149031
  H     18.34975264     15.03693439    -14.08598945
  H     18.58469586      8.52896133    -14.27594695
  O     12.94801903     11.38853503    -13.57041547
  H     14.61938421      7.24098396    -13.88806993
  H     18.09255103      9.06739078    -12.92041339
  O     16.39285784      8.83495020    -12.10372826
  H     15.03904272      8.42469474    -14.80722639
  H     13.78252163      7.03814530    -11.79716308
  O     19.43727558     11.64891474    -14.33924358
  H     12.46315385      9.53451182    -10.78334668
  H     12.68716122      7.72439503    -12.63600571
  O     14.65238592     10.07184273    -15.30765026
  H     13.74285506     10.33016363    -10.48314416
  H     18.68811967     13.35661200    -17.15699391
  O     17.84255237      9.70287741    -17.44554605
  H     14.17905182      8.26065697    -10.04776794
  H     17.22929567     13.83918342    -17.24871906
  O     15.10957347     10.32404773    -17.99147491
  H     14.85113881      7.04243451     -9.36929517
  H     17.32335011     13.59248443    -12.30518498
  O     19.11643354     13.83656463    -12.75853580
  H     17.59137505     11.69701725    -14.61468272
  H     15.93560509     14.20711941    -12.64761222
  O     18.81733888      9.12728225    -13.55626142
  H     16.42497942     12.37762849    -13.86523723
  H     16.01188839     12.63470546    -16.15972660
  O     13.34594932      7.01916751    -12.65779502
  H     13.06621251     12.22076568    -14.05269170
  H     15.39660096     12.17617971    -17.49963724
  O     18.13501449     14.14388293    -17.10336421
  H     13.62089800     11.36572416    -12.87288802
  H     10.61708377      9.33933629    -12.62458629
  O     16.37220685     13.42336156    -12.28780450
  H     16.04786799      8.41903435    -12.90571190
  H     11.95030948     10.05691440    -12.92673537
  O     15.58044330     12.95805070    -16.96698999
  H     16.00653438      8.34295107    -11.36773610
  H     16.16518468     15.62467653    -14.13387406
  O     11.55945768      9.28339461    -12.48654840
  H     19.33593912     10.73107448    -14.04052840
  H     15.06017489     16.48924033    -13.48023635
  O     15.29556573     15.59044274    -13.69313060
  H     19.65347864     11.64989516    -15.28033298
  H     20.36480958     11.55483707    -17.74651269
  O     19.65820283     11.67458861    -17.11751969
  H     15.42754823     10.60278814    -15.06485845
  H     19.01358459     10.96249972    -17.28050956
          69
 Energy    -250.21048267906073     
  O     13.48832626      1.92913314    -11.76629814
  H     13.23312505      2.22379676    -10.88454040
  H     11.26230495      7.73274384    -13.98181901
  O     18.30313319      6.14413020    -10.97244755
  H     12.79078600      2.21733291    -12.36630337
  H     14.38498293      5.16504433    -10.85545576
  O     13.39697982      8.15497617    -11.20100841
  H     18.08099640      5.21300232    -10.85545617
  H     14.48476097      5.29359842    -12.40485273
  O     15.09623504     10.02675423    -14.31564748
  H     18.10323689      6.37342186    -11.88913722
  H     15.17331840      2.27791593    -12.31414754
  O     17.44641390      8.23692182     -9.49570399
  H     13.65257495      7.23119474    -11.35564206
  H     15.90136831      3.34469491    -13.16750415
  O     15.20614512      4.48981470     -9.36343991
  H     13.01946808      8.17901383    -10.31498763
  H     12.29766889      8.28878501     -7.82424886
  O     17.52405984      3.43333860    -10.51663228
  H     15.49927892      9.87506554    -13.45023030
  H     13.51837575      7.50935762     -8.37275514
  O     12.78730185      8.61962975    -13.83460697
  H     15.60526092      9.49769018    -14.94113099
  H     11.78456122      6.02518906     -8.89001090
  O     12.93395409      2.88653912     -9.08536339
  H     17.79763163      7.45931540     -9.96731831
  H     11.17862725      5.23319101    -10.06933894
  O     16.32931524      7.98698660    -15.95796642
  H     18.18295904      8.63787553     -9.04193783
  H     15.08063088      8.80113543    -11.52486465
  O     17.26595034      7.15473178    -13.40756426
  H     16.00916567      4.05256684     -9.67441610
  H     16.51772812      8.92299513    -10.97594501
  O     10.51457838      7.11126463    -13.96625861
  H     14.53485165      3.81906821     -9.18299137
  H     15.23308280      6.12158159     -8.55889974
  O     13.95112462      5.53119435    -11.63635382
  H     18.15174000      2.76534811    -10.25575648
  H     15.93310855      7.49777224     -8.61596033
  O     16.05006592      2.59567018    -12.57628095
  H     17.03945200      3.08072838    -11.28653710
  H     12.18331993      5.34651868    -11.85440779
  O     12.58413394      7.73328372     -8.54400961
  H     12.90506012      8.49945329    -12.88036551
  H     10.91831174      5.95337926    -12.54253418
  O     11.44412577      5.15875104     -9.14264005
  H     13.47202788      9.24770331    -14.10549037
  H     14.95968534      5.45447745    -14.50094169
  O     15.98538149      9.03753283    -11.77300386
  H     12.36723170      3.67797504     -9.05567403
  H     16.22297951      5.68548102    -13.64836808
  O     15.16427061      7.03926268     -8.25881536
  H     12.61869662      2.29749458     -8.40491309
  H     11.21243542      3.72848016    -12.84591804
  O     11.21863431      5.26701289    -11.93484556
  H     16.62961127      7.97462207    -16.86326246
  H     10.55186842      2.46505766    -13.44474772
  O     15.53341303      5.03633971    -13.84700129
  H     15.50345601      7.47495120    -15.93119182
  H     11.21361292      5.65299682    -15.05181628
  O     11.36524815      2.96510312    -13.42796374
  H     16.81135713      7.80388778    -12.85006180
  H     11.72144433      4.20722282    -14.91319744
  O     11.77541454      4.99016313    -15.47325074
  H     17.15157705      7.45408148    -14.31762475
  H     13.58726773      7.31123917    -14.91443605
  O     13.95574993      6.63952040    -15.50420203
  H      9.73102266      7.62218128    -14.15295849
  H     13.24380438      6.00294023    -15.66508035
          69
 Energy    -250.20985405987182     
  O     18.16473765      9.28550853    -10.73128466
  H     18.39955966     10.14195359    -10.35580706
  H     18.87927382      4.27904457    -12.12767970
  O     18.55180750     11.65070942     -9.28863437
  H     17.38000149      8.97925431    -10.24554242
  H     14.83861439      6.00801074    -11.10438390
  O     12.29592917      8.79940951     -9.76079477
  H     18.95602143     12.50611001     -9.40248607
  H     15.74819018      5.52352085     -9.93342033
  O     16.79395864      8.64046613    -13.07273046
  H     17.62883768     11.80824000     -9.01484251
  H     21.15371738      5.53779458    -12.43444000
  O     19.48984001      6.97028231    -10.07904637
  H     12.34303761      8.47071465    -10.67224607
  H     20.04256084      6.12254259    -11.53309721
  O     19.77511397      7.37971889     -7.31553378
  H     12.45313826      8.04632248     -9.18294069
  H     15.74764337      9.38164321     -6.24639199
  O     17.43741874      5.07111819     -9.53459846
  H     17.35879401      8.05284895    -13.59666537
  H     15.78541773     10.47876801     -5.15875093
  O     12.78732522      8.15154717    -12.42747807
  H     17.31594615      8.91788181    -12.30780882
  H     19.02416543      6.38543135    -13.68020891
  O     16.01553766     11.88227479     -8.41656786
  H     19.69620567      7.06067601     -9.14006608
  H     17.72800800      5.92850084    -14.36736957
  O     14.61939525     10.33662041    -12.97140282
  H     19.09860416      7.81026948    -10.36075673
  H     15.27581683      9.17778675     -9.77152185
  O     14.26008282     10.62057731    -10.16963303
  H     20.52373755      7.30773326     -6.72909553
  H     15.49617926      7.62589099     -9.85456778
  O     18.06455052      3.78637642    -11.96575905
  H     19.42188461      8.28159310     -7.20971879
  H     17.89397283     10.01709516     -6.63115900
  O     14.88567801      5.90977544    -10.14363622
  H     18.09306111      5.72673355     -9.80569972
  H     18.78619546     10.48194417     -7.79906806
  O     20.20805992      5.63719470    -12.35905207
  H     17.37876656      5.15090213     -8.57098200
  H     13.67622905      6.19230266     -8.87340800
  O     16.10176599     10.26072815     -6.03190032
  H     13.39527246      7.43457269    -12.64719170
  H     12.50729684      5.77726496     -7.95165260
  O     18.31047886      6.68977050    -14.25415944
  H     13.24870466      8.95271784    -12.70261156
  H     15.61254042      7.19482431    -12.88391728
  O     15.88422064      8.45745225     -9.55371798
  H     15.92672928     11.40334772     -7.58436165
  H     15.41327180      5.72083390    -13.32326262
  O     18.73996947      9.85671907     -7.06601734
  H     15.32924127     11.54345832     -9.00872671
  H     16.67614912      6.46238662     -6.77469470
  O     13.09783176      6.49885964     -8.15321277
  H     15.40452913      9.77534323    -13.08395908
  H     18.20637273      6.33700937     -6.92654164
  O     15.00530328      6.44402966    -12.83114244
  H     14.60671899     10.93887883    -13.71126030
  H     15.63666878      8.08493810     -7.82472353
  O     17.38909497      5.82364471     -6.89760630
  H     13.46990735     10.09367261     -9.96610122
  H     14.46922100      7.37043643     -7.13051228
  O     15.31046528      7.80785183     -6.95316906
  H     14.35082300     10.65332265    -11.12966441
  H     17.02577269      4.12931274    -13.31926516
  O     16.51156922      4.44813300    -14.08312726
  H     17.78298167      4.03709265    -11.07626902
  H     16.34198736      3.69230496    -14.63829348
          69
 Energy    -250.20945508150200     
  O     -6.13482297      1.28697267      0.56403880
  H     -5.54890374      1.91308309      0.11448494
  H     -0.68269016      5.89826574     -1.02778896
  O     -6.11155565      0.51926779     -4.07547754
  H     -6.71786965      0.92152985     -0.11610671
  H     -3.53627798      2.48259271     -0.26930350
  O     -5.21027267      2.05924088      3.09917194
  H     -6.54644081      0.45190127     -4.92139900
  H     -4.24196097      2.61861046     -1.62951728
  O     -0.08268009     -1.34178089      1.61330376
  H     -5.65115629     -0.32735622     -3.92703024
  H      0.76566344      0.48620577     -1.05085952
  O     -2.37057281     -1.13801822      0.02122458
  H     -4.89075839      1.21698552      3.44130079
  H      0.94872005      1.38552312      0.19661036
  O     -4.74665869     -1.72956377     -3.41375263
  H     -5.67465801      1.85391791      2.27663801
  H      0.01350831      3.77812202      0.20911379
  O     -4.86900397     -1.08529063      1.21426663
  H      0.55793699     -2.02715785      1.78314577
  H     -0.08643053      3.05436921      1.57893719
  O     -2.30513446     -0.55376014     -2.65555637
  H      0.34321349     -0.70247446      1.01276743
  H     -6.37117588     -3.28470881     -0.66486845
  O     -3.75975756      1.81148122     -3.19328217
  H     -3.21116993     -1.20373476      0.49440867
  H     -5.59083218     -2.06840926     -0.12486387
  O      0.22525872      0.70995434     -2.84510545
  H     -1.64897310     -1.37709607      0.61643884
  H     -2.12854073      3.31728264      3.14804816
  O     -1.56577054     -0.01124065      3.66390736
  H     -3.83876578     -1.44777313     -3.23669684
  H     -1.85455120      2.26795925      2.05782837
  O     -0.95532421      5.01498372     -0.79317547
  H     -5.09586279     -2.07213237     -2.58169393
  H     -3.24221628     -0.37511250      3.82802563
  O     -4.30007007      2.89397453     -0.70602304
  H     -5.28843836     -0.24592170      0.96869817
  H     -4.38183004     -0.92494523      4.71919915
  O      0.94938810      0.46554097     -0.10401445
  H     -4.68825148     -1.03298907      2.16105269
  H     -2.18585384      0.66859481      0.24733777
  O      0.34848164      3.02691214      0.71585765
  H     -1.40675274     -0.24429870     -2.81954547
  H     -1.25486200      1.91497705      0.18580935
  O     -5.98216186     -2.45298388     -0.92538035
  H     -2.33127181     -0.83014288     -1.72722542
  H     -3.79896919      4.46895323      0.08830234
  O     -1.47555257      2.67036963      2.85588580
  H     -3.27473292      1.00019954     -2.98194490
  H     -3.43305396      4.94244012      1.51077734
  O     -4.20156581     -0.54090863      3.86546227
  H     -4.59100828      1.52529060     -3.59074485
  H     -7.05234959      0.28879722     -2.39460633
  O     -2.15241824      1.62307732      0.38213372
  H      0.83663640      0.70922537     -3.57710548
  H     -7.05001117     -0.87900220     -1.39542588
  O     -3.28270545      5.12671122      0.57661985
  H     -0.22212553      1.57615577     -2.85497043
  H     -4.07329190      4.86063087      3.98427660
  O     -7.38554378      0.01523811     -1.53135500
  H     -1.42868896      0.93663256      3.53132581
  H     -4.29363914      3.52617145      3.23526109
  O     -3.71744696      4.31025160      3.29200175
  H     -0.99987113     -0.46331802      3.02730039
  H     -2.11206602      2.79561082     -3.01777864
  O     -1.18854161      3.00729768     -2.83166662
  H     -1.78120798      5.10374407     -0.28475716
  H     -1.17900343      3.72433130     -2.18758871
          69
 Energy    -250.20703020995310     
  O     17.91633475      8.81545379    -10.60129943
  H     17.15245167      9.38087748    -10.77221774
  H     18.97691477      9.13944818     -9.15611306
  O     13.67207146      9.14889523     -9.96494853
  H     17.58897203      7.96068968    -10.29361489
  H     19.71392521     10.30366328    -12.53056816
  O     19.64009147      3.32932854    -11.75244734
  H     12.87573782      9.39515829     -9.50269462
  H     18.95144426      9.12016229    -11.92518323
  O     21.17610765      7.29907146    -11.88843602
  H     14.29579454      8.81594307     -9.29414401
  H     20.62426634      4.43219851    -12.99870851
  O     15.56333072      8.35603888     -8.22134964
  H     19.69644462      2.38883651    -11.60835513
  H     21.11617100      5.89322141    -13.06277137
  O     18.81020034      5.63613367    -15.25180785
  H     18.82872840      3.48748783    -12.26831914
  H     17.84214249      4.42097006    -14.06442965
  O     22.96944084      8.22307339     -9.93104356
  H     21.87582378      7.62707736    -11.31009293
  H     16.89983904      4.60092276    -12.86389497
  O     21.16988960      7.12964556     -8.22610174
  H     20.69322066      8.06602157    -12.22335204
  H     14.97387629     10.10312069    -10.86041976
  O     17.09012390      6.38677601     -9.60932619
  H     16.11029191      7.61946890     -8.52430777
  H     15.62156104     10.21701099    -12.26604698
  O     17.13418261     10.72105902     -7.55069801
  H     16.15266115      9.07049487     -7.95222103
  H     16.15865894      8.87121357    -14.06331502
  O     17.52152328     12.05837078     -9.91497967
  H     19.60880211      5.47082740    -14.71786835
  H     15.19536789      9.82987376    -14.79956815
  O     19.42460280      9.32734899     -8.31761484
  H     19.02808567      5.40660586    -16.15105265
  H     20.79274065     10.28220810     -9.11744099
  O     19.49928933      9.37775814    -12.68775163
  H     22.40799223      7.80634282     -9.25123998
  H     22.09427770      9.93306888     -9.85332624
  O     20.89618838      5.12673868    -13.61081046
  H     23.87281545      8.01798241     -9.70694422
  H     13.66854278      8.06418428    -11.52877899
  O     17.49630173      3.96751530    -13.28672802
  H     20.54801430      7.85795333     -8.08781487
  H     14.18177450      8.24400298    -12.97064438
  O     15.73918100     10.45142508    -11.33728285
  H     20.68155472      6.45701543     -8.71837809
  H     18.00935250      7.12170957    -14.52861140
  O     15.37983554      9.44147023    -13.94818305
  H     17.99294536      6.04192489     -9.65561764
  H     18.32164869      8.38790819    -13.67024271
  O     21.45538819     10.64273610     -9.72337349
  H     16.67179216      6.17588618    -10.45781652
  H     20.35643332     12.75689199    -11.81087961
  O     13.81869417      7.59258891    -12.35810160
  H     17.27711519     11.24543549     -8.35882001
  H     20.54443704     11.52054174    -10.90178022
  O     17.60692389      7.83847748    -14.02141971
  H     16.87531772     11.33539477     -6.86892923
  H     15.25525941      6.51928010    -12.23801901
  O     19.94620088     11.93650819    -11.54976250
  H     16.83804853     11.66743179    -10.47762087
  H     16.70510279      6.73720221    -12.73806052
  O     16.15188869      6.15638757    -12.20027096
  H     18.32817227     12.06121677    -10.44246589
  H     20.15731101      6.23130484    -10.73800669
  O     19.72295790      5.61920838    -10.12722414
  H     18.76895351      9.80446993     -7.79715122
  H     19.71329725      4.76108708    -10.56933732
          69
 Energy    -250.20614278420868     
  O     11.74409809     10.38998915    -12.91164175
  H     11.08420763      9.85617700    -12.43313174
  H     12.29863731      2.90351148    -10.90970236
  O      9.92932506      5.27469630    -10.31866067
  H     11.30973099     11.19778432    -13.17159721
  H     15.32737580      6.71097579    -13.72148911
  O     17.20095262      5.79424585    -11.61342879
  H     10.66150007      4.65071531    -10.23212856
  H     14.45483844      5.64610262    -13.01068705
  O     14.97347099      3.56917564    -15.16605260
  H     10.15437477      6.03784957     -9.77196707
  H     12.34161323      5.72638432    -12.80695953
  O     14.64542584      3.85323202     -8.78743907
  H     17.67066129      6.60241424    -11.84850413
  H     12.70542714      4.90980514    -11.51537076
  O     10.75214912      7.71255638     -9.07335234
  H     16.53893724      5.67047492    -12.30979518
  H      9.60999912      8.04156455    -12.03177823
  O     15.46155872      8.51329967    -13.67994554
  H     15.12753992      4.39097273    -14.66847454
  H     10.17235247      8.53795700    -10.68856369
  O     12.19933739      3.29075849    -14.57435752
  H     15.49911592      3.62364443    -15.95961906
  H     18.83027568      8.90739504    -12.40209776
  O     16.52445961      9.14576517    -10.17165199
  H     15.31701677      3.56111479     -9.43322404
  H     17.55534039      8.75650764    -11.53872130
  O     15.19503390      2.02995348    -12.75282009
  H     14.81475309      3.37214170     -7.98139624
  H     13.08093982      6.89342266    -10.86304120
  O     12.35781066      1.76582407    -12.34666039
  H     10.75257315      8.05504409     -8.18355276
  H     14.08844136      7.18639915     -9.73038294
  O     12.24820572      3.65631149    -10.30382458
  H     11.68175109      7.65773335     -9.35641189
  H     16.93424971      3.99586339    -10.96811667
  O     15.23739547      5.76054828    -13.57183889
  H     16.39122614      8.55383066    -13.42463291
  H     16.09993821      2.75404272    -11.38661867
  O     12.97116953      5.64809249    -12.07801487
  H     14.97794471      8.93053701    -12.95172911
  H     15.35149494      5.64241204     -8.98932035
  O      9.99178301      8.81289856    -11.59542719
  H     11.82874130      4.18311389    -14.58673425
  H     16.22842521      6.24315472    -10.10390898
  O     18.00403649      8.43556760    -12.34198549
  H     13.10159612      3.36699847    -14.90964422
  H      9.33657441      5.88792684    -11.83576480
  O     13.25132694      7.48234618    -10.11119298
  H     15.70779083      9.50135987    -10.54829511
  H      8.15088491      6.09092447    -12.80965608
  O     16.48180468      3.21692622    -10.62519582
  H     16.27820698      8.35131180     -9.68324488
  H     13.33145301     10.09675186    -11.97081922
  O     15.69139385      6.47779422     -9.33253438
  H     14.26764911      1.83967838    -12.56948769
  H     13.73430443      8.95437484    -11.01352321
  O      9.05762816      6.34076620    -12.65255467
  H     15.20629262      2.45282076    -13.61944168
  H     13.64572666      8.37485654    -14.54966724
  O     14.08890793      9.69467947    -11.52843884
  H     12.23019487      2.30250748    -13.15055987
  H     12.33247334      9.05354545    -14.13729771
  O     12.68931559      8.31230954    -14.64278458
  H     11.90014356      0.94192434    -12.49153201
  H     11.74590948      6.78171282    -14.49974787
  O     11.31994843      5.94202839    -14.26803897
  H     13.03817397      3.66153662     -9.74830169
  H     10.47947888      6.13153672    -13.83203465
          69
 Energy    -250.20469919422754     
  O     -3.56665749      5.60861375     -0.52640305
  H     -3.51786680      4.83699310     -1.12373526
  H     -2.02253492      0.99930283      2.83732686
  O      0.94566427      1.93304026      5.82251912
  H     -4.00366135      6.30320061     -1.01135784
  H     -2.71533981      2.88202005     -2.31211387
  O     -0.77550793      2.76018200      0.26223744
  H      0.92155326      2.35300274      6.67860326
  H     -3.98415835      2.78054622     -1.43424350
  O      1.60262058      2.49828376     -2.31900837
  H      0.67393334      2.60535068      5.17480734
  H     -2.16308765     -0.63667376     -0.53244992
  O      0.39173325     -0.65204741      1.29532074
  H      0.10844716      2.38000168      0.33275180
  H     -0.64488695     -0.73991096     -0.34598857
  O      0.22155961      3.67083455      3.82880437
  H     -1.12255900      2.47126526     -0.59126321
  H     -4.11249687      4.71175312      0.98303407
  O      1.72469225      5.12202429     -1.10284267
  H      2.28097302      2.15593302     -2.89624577
  H     -5.12858571      4.58443293      2.13762274
  O      3.04932537      0.90078091      4.19387340
  H      1.73723287      2.08035058     -1.45042768
  H     -1.66229745      2.73847361      1.75420712
  O     -0.25865481     -0.51930391      4.93045480
  H     -0.39699167     -0.37696985      1.78320366
  H     -2.92268467      3.27955305      2.46925414
  O      3.17323012      5.42750545      1.16690131
  H      0.98103930     -1.05566805      1.94514961
  H     -0.26303959      2.04348549     -2.50423369
  O     -0.79809317      5.51438376      0.10415281
  H     -0.62993053      3.36210545      3.49118262
  H     -1.22660610      0.92273727     -1.99506238
  O     -1.89186187      0.04099261      2.81462826
  H      0.34922654      4.56850352      3.48580536
  H     -4.09956958     -1.39879997      0.96313590
  O     -3.47681473      3.38474731     -1.99796740
  H      1.65336021      4.30500088     -1.60895319
  H     -3.02789968     -0.45540591      1.55523159
  O     -1.32576286     -0.57120688     -1.00817030
  H      0.82732060      5.36871950     -0.84085252
  H     -4.37192692      1.01936079      0.23979976
  O     -4.38258749      4.15215846      1.72836829
  H      2.45040689      1.22452487      4.87885275
  H     -4.68314605      2.47819194      0.65934998
  O     -2.11169251      2.77951484      2.61493009
  H      3.07598930      1.60264750      3.53029780
  H      1.74245780      3.19638618      2.85795695
  O     -1.18846956      1.82974665     -2.33890413
  H      0.49164245     -0.96812606      4.52168397
  H      2.88788638      3.81588989      2.01101413
  O     -3.58337819     -0.61866182      0.77432874
  H      0.09746145      0.28896886      5.32002232
  H      1.32902534      0.69164140      0.57028443
  O     -4.73364467      1.85682944     -0.07466664
  H      2.71641170      5.32939809      0.31183495
  H      2.12228147      1.98068889      0.96696607
  O      2.55827450      2.98710131      2.38179964
  H      3.92930474      5.98710153      1.01338701
  H      2.61801125     -2.19608940      3.61912485
  O      1.72651458      1.50339800      0.22458134
  H     -0.76440877      4.54862957      0.18416938
  H      2.46640300     -0.65679363      3.67788467
  O      2.01324456     -1.48347673      3.43185460
  H     -1.70962888      5.72172628     -0.12640235
  H      0.08297612      5.96087514      1.70104632
  O      0.66126120      5.99949267      2.47544411
  H     -1.43017735     -0.20877784      3.62816730
  H      1.55896380      5.96978366      2.12439302
          69
 Ord_Energy   -250.203384    
 O   -9.01999950       3.19524956       2.20137167    
 H   -9.05350590       3.85279322       2.90522456    
 H   -8.07781982       3.01035380       2.06287766    
 O   -3.83420014      -1.75180912     -0.144170806    
 H   -4.78781223      -1.60486841     -0.272750109    
 H   -3.55655098      -2.36798835     -0.816548467    
 O   -8.51975632      -2.36254859       1.03105676    
 H   -8.27620983      -2.69759178       1.90190411    
 H   -9.30535412      -1.81437528       1.14772427    
 O   -7.39894867       1.04949605      -1.73290789    
 H   -8.16343403       1.29025328      -1.17925477    
 H   -7.65904093       1.19890952      -2.63815165    
 O   -6.32621670       2.66922379       1.99179137    
 H   -6.20449305       1.71667814       2.10880709    
 H   -5.97399807       2.87753010       1.11489677    
 O   -6.10495043      -5.55721596E-02   2.23346972    
 H   -6.29769993     -0.378971815       1.34347963    
 H   -5.26964712     -0.459260523       2.49636316    
 O   -8.82516766       4.69897413       4.63497639    
 H   -9.26039124       3.98765373       5.13742399    
 H   -9.17283916       5.52287960       4.96552515    
 O   -9.87032890       2.49561739       5.86323500    
 H   -10.2328606       1.96829975       5.13999081    
 H   -9.08544540       2.01915789       6.16271114    
 O   -3.23681903       1.08392620       6.38578534E-02
 H   -2.92643142       1.16370463      0.973866582    
 H   -3.35504031      0.140341580      -9.09941196E-02
 O   -10.2917709       1.03494155       3.42640162    
 H   -9.55405331      0.455530107       3.67589736    
 H   -9.89760113       1.80525017       2.99024057    
 O   -3.93722486       1.75654125       4.86519814    
 H   -4.23188114       1.03743362       5.43614960    
 H   -4.64249563       2.41486239       4.86592197    
 O   -7.72735929      -3.22730827       3.70539951    
 H   -6.82394934      -3.02549744       4.01135540    
 H   -7.95775509      -4.07382870       4.07837200    
 O   -6.29446650       3.35032892       4.63820744    
 H   -7.03322649       3.96303010       4.72742224    
 H   -6.22180033       3.16981125       3.68709970    
 O   -6.48307848      -1.16608453     -0.311976224    
 H   -6.81131506     -0.447709262     -0.867873371    
 H   -7.23636961      -1.65714478       5.18661812E-02
 O   -8.11768436     -0.504178405       4.03634453    
 H   -8.15707302      -1.46662748       4.07500935    
 H   -7.42354774     -0.299707741       3.39077473    
 O   -10.7746658     -0.582410336       1.26272273    
 H   -10.7322330      -3.89482193E-02   2.06704903    
 H   -11.6931677     -0.806038737       1.13148963    
 O   -5.07525206     -0.318734467       6.51660728    
 H   -5.90480900      0.186861202       6.48942089    
 H   -4.84207344     -0.411702633       7.43754864    
 O   -2.33387685       1.04400992       2.80774808    
 H   -2.89906883       1.37237573       3.52928543    
 H   -1.44858420       1.34317291       2.99831438    
 O   -5.27828121      -2.48663187       4.61993027    
 H   -5.21321535      -1.81104946       5.30496311    
 H   -4.62225008      -2.24584913       3.95113826    
 O   -5.37194300       2.76033592     -0.544440985    
 H   -4.58188725       2.21337390     -0.413856000    
 H   -6.00063562       2.21937275      -1.03466868    
 O   -3.64956665      -1.41464388       2.63438439    
 H   -3.07857728     -0.641547859       2.73742843    
 H   -3.63048840      -1.65602732       1.69861579    
 O   -7.33417416       1.17160690       6.06661701    
 H   -7.64024830      0.545714498       5.39160156    
 H   -6.96588659       1.93387425       5.59552002    
 O   -9.48917294       1.60242891     -0.112346739    
 H   -9.42290401       2.26035476      0.590889812    
 H   -9.95459461      0.846046746      0.263010114    
          69
 Energy    -250.20251690199348     
  O     13.62166663      6.50808411     -8.08797283
  H     13.46892835      6.43693423     -7.14962095
  H     15.37387887      7.61487352    -12.84110207
  O     13.63035612      6.24316163    -15.88510726
  H     12.74727337      6.55780909     -8.51470270
  H     13.05005161      7.57410819    -13.27029680
  O     17.09494727      6.02515173    -14.90339475
  H     14.38657554      6.65630453    -16.32158722
  H     13.49268339      8.19017640    -11.91936980
  O     10.08168695      7.56332327    -12.71501875
  H     13.96472025      5.44689418    -15.45895384
  H     11.04946781      6.06347554    -10.08378406
  O     17.07196935      3.08954239    -10.58914988
  H     16.84528984      6.48867774    -15.71056998
  H     11.01431982      7.55906740     -9.70641164
  O     10.79250455      4.99139459    -11.63369388
  H     16.89855710      6.63109437    -14.17188326
  H     18.29742739      4.88000413    -14.11401145
  O     17.01208961      6.82584562    -10.40142079
  H     10.24918185      6.65099686    -12.44992467
  H     18.15389595      3.47396751    -13.50640511
  O     13.29076656     10.54131949    -13.93067608
  H     10.63027448      7.72862571    -13.49468016
  H     13.97776961      4.45437985    -12.91627741
  O     16.70895958      2.22111263    -13.13959573
  H     16.34375426      3.60924672    -10.22205213
  H     13.51820652      5.74622455    -12.20676461
  O     15.74724943      9.53628423    -14.98372115
  H     17.83588888      3.67876786    -10.59218877
  H     15.85192027      8.37565147    -16.28220862
  O     11.99348718      8.06878687    -14.67477658
  H     10.32214527      4.16519328    -11.71197265
  H     16.15017056      7.98118786    -17.75018653
  O     16.33026281      7.74799394    -12.91229957
  H     11.72133478      4.80608979    -11.85121066
  H     15.53533688      3.39022773    -14.02327139
  O     13.61532525      7.43041363    -12.50011725
  H     17.83275832      6.33263847    -10.52535880
  H     15.75610454      4.81453563    -14.55015385
  O     11.27151795      6.68755269     -9.38238745
  H     16.33028343      6.15956923    -10.23152165
  H     19.06100390      4.81343267    -11.91976692
  O     18.73971795      4.23946890    -13.53976008
  H     13.31236674     10.37784097    -12.97300070
  H     20.06709474      5.02548530    -10.76526479
  O     13.47305098      4.77629691    -12.15833002
  H     12.99068269     11.44021866    -14.04382525
  H     10.35815716      8.64623012    -11.39977679
  O     15.91048831      7.62399370    -16.89987340
  H     16.79172204      2.47281536    -12.20214005
  H      9.81476188      9.67374403    -10.37583017
  O     15.06427861      4.16720524    -14.35177365
  H     16.81249681      1.27411894    -13.17846095
  H     14.55428752      5.34316258     -9.18428226
  O     19.13916808      5.06206829    -10.98113031
  H     14.93994712      9.96419757    -14.67639958
  H     14.46550834      4.76773343    -10.62894738
  O     10.58965047      9.17007274    -10.61016945
  H     16.09510819      9.05619632    -14.21905256
  H     14.49009519      7.98506951     -8.93157273
  O     15.05075523      4.87404086     -9.86602836
  H     12.41827064      8.93451136    -14.65870768
  H     15.76212027      8.21149313     -9.75769497
  O     14.94029070      8.63565547     -9.48474459
  H     12.52136767      7.46101522    -15.21738668
  H     12.33487506      9.72719329    -10.90878634
  O     13.23437810      9.88145655    -11.22766821
  H     16.69256645      7.50435244    -12.05144722
  H     13.85951347      9.58944385    -10.54540573
          69
 Energy    -250.20248198237556     
  O     17.98543997      9.63363772    -11.18060912
  H     18.70560482      9.04845458    -10.90171075
  H     13.85648994     10.02986077    -10.56936238
  O     14.21579665      6.26034270     -7.42334070
  H     18.08149456     10.48424637    -10.73391176
  H     18.95533264      4.46824384    -10.99636002
  O     17.99747189     11.99005271     -9.67040248
  H     13.51371584      6.78175400     -7.82970060
  H     19.61640150      3.25150873    -11.68109256
  O     12.29411756      7.82356790     -8.94074636
  H     14.68114404      5.85322716     -8.16712231
  H     15.43447954      5.70994635    -10.68118877
  O     16.27220987      8.54607179    -13.04288624
  H     18.17203838     12.90330166     -9.88151068
  H     15.87862473      6.73263912     -9.61812593
  O     19.76688147      7.73677671    -10.29921998
  H     17.13475900     11.96489612     -9.21684729
  H     19.88854148      5.69162823    -12.61061978
  O     20.68805843      8.50367767     -7.76401854
  H     11.36601473      7.74411030     -8.73475296
  H     20.11341878      7.10261180    -12.04780149
  O     18.44117234      5.35646173     -9.55842250
  H     12.40036502      7.52622827     -9.86257218
  H     16.50839123      9.43202268     -6.11872265
  O     12.69696622      7.27764983    -11.57086208
  H     16.82767688      8.12394743    -13.71090194
  H     16.43508363     10.52794456     -5.03026767
  O     15.68545590     11.76779449     -8.29085790
  H     16.87837576      8.96606111    -12.41457117
  H     18.47040566      7.29572022    -15.53090112
  O     13.87950736      9.76177771    -12.43010174
  H     20.20359040      8.01519986     -9.48477594
  H     18.83433639      7.02769818    -14.05146186
  O     13.91616048     10.01894479     -9.60489975
  H     19.26585006      6.93813164    -10.07937826
  H     15.42555081      9.01181793     -9.42432249
  O     19.20270293      4.09232625    -11.85867038
  H     20.13433435      9.28803879     -7.60001921
  H     16.87525932      8.87140167     -9.96282635
  O     15.73596518      5.78474984     -9.76702456
  H     21.53805096      8.67763688     -7.36901166
  H     18.29403840     10.58374238     -6.82905050
  O     20.04523707      6.60808555    -12.87406546
  H     17.47777783      5.40290964     -9.64032367
  H     18.80457586     11.13842381     -8.17335819
  O     16.61824207     10.38462453     -5.95515342
  H     18.65138947      5.56406230     -8.63607682
  H     15.61611567      5.39702110    -12.89773839
  O     18.09047023      7.16140220    -14.66672233
  H     12.92993197      8.13151741    -11.95404087
  H     15.44437774      6.89498285    -12.57994991
  O     16.22698368      8.47565140     -9.37011936
  H     13.37775871      6.66882286    -11.88792447
  H     19.53014485      7.08186605     -7.17544429
  O     19.07144033     10.62994186     -7.39855251
  H     15.88993916     11.33752732     -7.45113982
  H     18.05560275      6.81096343     -6.80352826
  O     15.04407271      6.02719973    -12.43705776
  H     14.97238403     11.25842409     -8.69797580
  H     16.49086895      8.08329877     -7.64812115
  O     18.88047467      6.37817087     -7.05927875
  H     14.72154633      9.36733526    -12.71317922
  H     15.62860502      7.21447501     -6.72821233
  O     16.41053217      7.78452755     -6.72841967
  H     13.60444791     10.34911349    -13.12983846
  H     17.74323653      4.35292956    -13.09094641
  O     17.04567855      4.63359825    -13.69603361
  H     13.29070544      9.35415165     -9.28592729
  H     17.39283229      5.40866675    -14.15460787
          69
 Energy    -250.20156913008702     
  O     12.19988555      9.85254108    -11.38517547
  H     11.56147714     10.57712206    -11.41399955
  H     14.15320965      8.22817232    -13.33048317
  O     12.36790793      8.03154946    -13.61922736
  H     12.35639697      9.54248206    -12.28441408
  H     14.21334127     14.04865841     -8.15238448
  O      8.92312270     10.43396392    -12.98556820
  H     11.76323450      8.49383211    -14.21352496
  H     14.35149323     14.19237740     -6.61839601
  O     14.42024557     10.30203463     -9.92469769
  H     11.83418079      7.58354933    -12.94921324
  H     10.34831832     12.08608606     -9.64772337
  O     15.36070109      7.69327797    -10.32603533
  H      8.71049291      9.67825769    -12.42359874
  H     11.22577405     11.75411412     -8.40377630
  O     12.27174376     15.74017809    -10.74728007
  H      9.45262327     10.10813320    -13.72329636
  H     11.75030586      8.48201274     -6.43023989
  O      8.38808018      8.36540673    -11.05414479
  H     13.61360058     10.13300173    -10.44195458
  H     12.21823633      9.55674757     -7.43312607
  O     12.46726198     13.55429506    -12.49385466
  H     14.92541469      9.48198593     -9.95575533
  H     12.25535626      6.84867620     -9.97500026
  O     14.70075929     14.56816137     -9.74483211
  H     16.04011949      7.09719370    -10.02316320
  H     12.59950883      7.47772061     -8.61157227
  O     10.99235443      7.34779005    -11.26772263
  H     14.51756822      7.36151660     -9.96761501
  H     14.80689572     11.73240353    -10.96549420
  O     11.33255943     14.69550804     -8.42125812
  H     11.85638559     15.39708969     -9.93561011
  H     15.18078475     12.06156931    -12.42822469
  O     15.03328071      8.52927253    -13.06162227
  H     11.99952655     16.64992274    -10.83116725
  H     11.39762231     10.47127599    -14.94660322
  O     13.82494773     13.78227454     -7.29923156
  H      8.69830528      8.76105360    -10.21865654
  H     10.49560295      9.80675194    -16.01478425
  O     10.35233434     12.06644968     -8.67633931
  H      7.51206358      8.02831065    -10.88649351
  H      9.83705578     11.58955516    -12.01363272
  O     11.81609315      8.67546149     -7.36293959
  H     13.28934001     13.16731668    -12.15849190
  H     11.05268962     12.59763376    -11.86315416
  O     12.96079936      6.93036704     -9.31970908
  H     12.34623439     14.38388204    -12.01504657
  H      9.53571095     10.36807850     -8.68983379
  O     14.89876501     12.46100680    -11.59605684
  H     13.98154021     15.08364511    -10.13010016
  H     10.14036347      9.01492565     -8.30473804
  O     10.74183482      9.76466670    -15.09451703
  H     14.92154041     13.89133594    -10.39832955
  H     12.47921885     12.37868176    -13.96275210
  O     10.45530340     12.00280178    -11.39230241
  H     10.03883839      7.48922663    -11.23945636
  H     13.56374065     11.40141865    -14.45076055
  O      9.39514447      9.41524239     -8.76585928
  H     11.38115320      8.22652999    -11.12759263
  H     16.08880778     11.05269248    -14.60452126
  O     12.62701196     11.61606469    -14.53615135
  H     12.11684957     14.47728830     -7.90363732
  H     15.30338877     10.12224295    -13.64900052
  O     15.37114991     11.03759472    -13.97711520
  H     10.81997650     13.87756801     -8.46748977
  H     13.24121739     12.03385094     -7.50398156
  O     12.91914626     11.17357763     -7.80014670
  H     15.17920459      8.19774633    -12.16871778
  H     13.51168411     10.88792275     -8.51193191
          69
 Energy    -250.20149937814850     
  O     11.28581807     11.28879799    -15.81510062
  H     11.54851349     10.56526612    -15.22013319
  H     15.87450719      7.89847119    -18.44195379
  O     13.82301420     10.01186651    -19.83016524
  H     10.49813811     11.67836972    -15.44511148
  H     14.61953225      8.52478662    -12.58848169
  O     11.31106349      7.12501444    -17.27456414
  H     13.50676110     10.16951687    -20.71549554
  H     14.61054103     10.08030128    -12.60867848
  O     12.81890971      7.44717832    -10.63064058
  H     13.03450723      9.94081060    -19.25934151
  H     17.36035499      8.97913309    -14.75119066
  O     14.08369571     11.71950277    -16.00740753
  H     11.04094076      6.94499783    -16.36549677
  H     16.57228558      7.69884970    -14.29542374
  O     18.03399047     11.09083325    -17.48920137
  H     12.04255493      6.52285776    -17.45243830
  H     14.25034504      4.89513665    -11.33353953
  O     15.56991478     11.72182135    -18.35278568
  H     13.19851001      8.21887974    -11.07165309
  H     15.32692413      4.85822445    -10.22067604
  O     18.01051359     10.75614374    -14.71790287
  H     13.54695310      6.82230883    -10.52480010
  H     14.18042080      6.28122657    -18.02041953
  O     13.03547776      4.20574751    -12.39429025
  H     14.26529621     10.76833347    -16.08060568
  H     13.80621820      4.79282452    -18.20008663
  O     11.72779100      9.70857861    -18.18647128
  H     13.12362345     11.80093885    -15.97395848
  H     15.39321689      6.43441640    -12.32764379
  O     14.47772730      8.96063271    -16.09861701
  H     18.66786796     11.53379755    -18.04730250
  H     14.79148795      6.49573350    -13.75719358
  O     14.93227174      7.74687869    -18.61636174
  H     17.15170366     11.34053850    -17.82027304
  H     11.49775809      6.55070509    -11.34436806
  O     14.13195290      9.30343368    -12.28363219
  H     15.01577783     11.18056847    -18.92727448
  H     10.12262373      5.86233535    -11.17394911
  O     16.96208848      8.15390506    -15.05460714
  H     15.03423732     11.91117561    -17.56965477
  H     12.70410144      6.00970363    -14.69240040
  O     14.87715675      5.44159504    -10.82524335
  H     18.84534237     11.06053112    -14.36948822
  H     13.73119374      5.51330495    -15.73594966
  O     13.70655738      5.53683647    -17.61144399
  H     18.03160753     10.91931624    -15.67472549
  H     17.75332668      9.18604615    -17.81855435
  O     15.40317152      6.93895782    -13.14968498
  H     12.20374811      4.64753196    -12.18073789
  H     17.40795577      8.04144284    -16.86171477
  O     10.84972189      5.96895025    -11.78128993
  H     13.26064391      4.49327982    -13.28950857
  H     12.82874588      9.31464656    -13.54918817
  O     13.58223332      5.61343677    -14.78865967
  H     11.52077019      8.80673225    -17.89849945
  H     13.01561521      9.02081490    -15.05089804
  O     17.49217961      8.25854993    -17.80130234
  H     11.48832038     10.29361371    -17.46083276
  H     10.84405265      6.49178989    -13.57326359
  O     12.34268124      9.20792379    -14.37749296
  H     14.48495186      8.58192878    -16.98455951
  H     11.41562626      7.68835699    -14.38175160
  O     11.06599206      6.78723212    -14.46444145
  H     15.31840658      8.71546304    -15.69183695
  H     16.35275098     11.24135511    -13.86245273
  O     15.45202498     11.37127889    -13.54545232
  H     14.60318305      8.47109478    -19.16244042
  H     14.94882870     11.65588507    -14.31956546
          69
 Energy    -250.20146835162086     
  O      1.02328915     -0.49619458      5.28804034
  H      0.28982773     -1.12904069      5.38259692
  H     -5.33064460     -0.52669341      2.59207496
  O      1.49577291     -0.14646091     -2.70611348
  H      1.58478798     -0.61590266      6.05024783
  H     -2.75539868     -0.35080352      3.95212070
  O     -1.11004909     -2.17223392      5.53324950
  H      0.61453887      0.03026809     -2.35137504
  H     -3.18086191      0.41020332      5.23861272
  O     -0.82266728      0.10897551     -1.06401898
  H      1.66890459     -1.07753450     -2.51820707
  H     -0.24038179      2.18339662      1.73184399
  O      2.02160997     -2.76747276     -1.63644832
  H     -1.31471534     -2.96252542      5.02338418
  H     -0.60858523      2.37946878      3.23613564
  O      3.34618254     -1.37687707      0.29180800
  H     -1.88093169     -1.59531134      5.42821134
  H     -1.58555901      0.68491565      2.36552117
  O     -3.61863320      2.81945593      3.14362428
  H     -0.24352232      0.50891297     -0.40044161
  H     -2.52997127     -0.21791478      1.53428333
  O     -4.20828635     -3.71427113      2.32047756
  H     -0.77265142     -0.85069733     -0.94118015
  H      0.25941624     -2.82932280     -1.03761056
  O     -0.23570491      2.05960092      4.93602750
  H      2.58145042     -3.45298069     -1.99096218
  H     -0.47947777     -2.66261081      0.31930124
  O      3.16989825      1.17247010     -1.01530707
  H      2.52229027     -2.33856636     -0.91934963
  H      1.06286050     -1.48952369      2.37015498
  O     -5.28098214      1.08745459      1.53621680
  H      2.93159430     -1.24083783      1.15353247
  H      1.64498137     -0.62795685      3.50120603
  O     -5.17985229     -1.32316924      3.11355276
  H      3.45431651     -0.49796324     -0.09312881
  H     -3.42624615      2.76555157      6.32943811
  O     -3.16825067     -0.46120834      4.82360281
  H     -4.19875148      2.26554037      2.60898051
  H     -3.28573245      2.48135559      4.81384857
  O     -0.96682402      2.38995322      2.33328944
  H     -2.74879918      2.80725147      2.71936380
  H      1.76990296      1.36542949      0.21316857
  O     -1.97337894     -0.19990082      2.32261242
  H     -4.57692397     -2.85426978      2.59272227
  H      1.26700268      0.55578405      1.43625234
  O     -0.60604697     -2.67022338     -0.64189889
  H     -4.95384439     -4.29700931      2.19553987
  H     -2.69569421     -4.09353183      3.23268783
  O      1.74042852     -0.82383716      2.56192522
  H      0.16697401      1.20282386      5.12128433
  H     -1.78163952     -5.20591504      3.79448773
  O     -3.01165799      2.18169586      5.70068504
  H     -1.10216812      2.06806232      5.36108324
  H     -0.79939392     -3.13820795      2.63105825
  O      1.00693975      1.22393260      0.78610302
  H      3.74916149      1.79373817     -1.44725724
  H     -0.97479686     -1.65181775      2.20853032
  O     -1.84492262     -4.26207178      3.66956792
  H      2.62171799      0.76465800     -1.70983512
  H     -2.47803720     -2.89284087     -0.50887063
  O     -0.42445210     -2.44182393      2.08112791
  H     -4.66496882      0.74699671      0.86427568
  H     -3.58803038     -3.16721099      0.54402905
  O     -3.41633971     -2.76278311     -0.31336345
  H     -6.02810220      1.44686213      1.06368258
  H     -3.55735898     -0.99675644     -0.24065660
  O     -3.42763517     -0.04673124     -0.09290452
  H     -4.61866762     -1.04940132      3.85293414
  H     -2.60908653      0.19626064     -0.54496902
          69
 Energy    -250.20140478962983     
  O     11.43360592     10.98279422    -13.02065825
  H     11.30787629     10.33140144    -12.31978648
  H     19.06776796      9.17277759    -15.15760770
  O     15.60174284      6.70475876    -13.95201480
  H     12.11555179     11.59391204    -12.71824886
  H     15.03217834     12.06168088    -15.47312049
  O     17.78942419      9.67305590    -11.78041438
  H     16.53424888      6.75269421    -13.70423819
  H     13.52790900     11.73414274    -15.45929490
  O     16.54099380     10.92803257    -15.71931623
  H     15.29691685      7.62091069    -14.05588794
  H     15.47854594      9.85816639    -14.70048555
  O     12.03006999      7.41550496    -15.86755583
  H     16.87974402      9.99737060    -11.71644716
  H     13.97333695      9.53972588    -14.57530505
  O     15.78223815      7.50001627     -8.61081755
  H     18.02432478      9.32603988    -10.90996538
  H     10.55603013      8.75764790    -10.41028636
  O     14.12074932      6.12011371    -11.73438923
  H     16.64934758     10.23381607    -16.38458195
  H     12.06824469      8.78526501    -10.72942634
  O     15.12640642     10.45338694    -11.75790560
  H     17.35989237     10.97837690    -15.21034413
  H     18.33316710      6.18951042    -11.61442549
  O     16.77429918      8.66416467    -17.35465302
  H     11.31206748      6.94577494    -16.28434058
  H     18.41860316      6.69977142    -10.16870728
  O     15.87268714      4.92586427     -9.87612219
  H     11.96495815      7.22886320    -14.91364172
  H     12.56170797      6.54655152    -12.69858665
  O     14.78833267      6.94599628    -16.60996354
  H     15.03215152      7.92522757     -9.04626114
  H     11.49269122      7.64099810    -12.56631074
  O     18.99336207      8.28993465    -15.54054107
  H     15.75550511      6.57632182     -8.89047580
  H     19.54124189     11.40081861    -13.89330478
  O     14.17169623     12.41218725    -15.21025328
  H     14.66405577      6.24249426    -12.52839618
  H     18.52457499     10.44409223    -13.23199434
  O     14.84026301      9.32836633    -14.20437920
  H     14.64214156      5.59682745    -11.11437848
  H     18.57863775      7.44133941    -14.00785863
  O     11.18345688      8.90161674    -11.11421230
  H     14.99202800      9.99771111    -12.60519388
  H     18.02879353      8.03505396    -12.68451485
  O     18.26576173      5.90451431    -10.69241330
  H     14.70593380     11.31571880    -11.86048371
  H     17.34690985      8.16193300     -9.00347774
  O     11.85982288      6.99905885    -13.18408902
  H     16.04602968      8.06228888    -17.12147898
  H     18.72498709      8.67121976     -8.51949190
  O     18.83648093     10.78710061    -14.08564310
  H     16.90484059      8.57767319    -18.29566663
  H     14.26440515      9.21343028    -10.76610118
  O     18.20042387      7.20477950    -13.14877779
  H     15.96673651      4.04172965     -9.53226365
  H     13.91989980      7.68790982    -10.84479238
  O     18.23090681      8.44254654     -9.30229497
  H     16.75042540      5.19536922    -10.20242843
  H     13.59389694     13.65317925    -12.33348497
  O     13.77955508      8.49808818    -10.33025237
  H     13.84812396      7.11431040    -16.47896469
  H     13.89595482     12.68444172    -13.49964666
  O     13.70474469     12.73021102    -12.54500640
  H     15.10983744      6.63189262    -15.75314868
  H     11.96643037     10.40276103    -14.61326944
  O     12.47217651     10.15816191    -15.40563883
  H     18.28679549      8.34089575    -16.19580622
  H     12.18953048      9.27924181    -15.68326532
          69
 Energy    -250.20065040490519     
  O     16.91951041     11.24280924    -11.17005428
  H     16.81825875     11.28910459    -12.13189065
  H     15.59405770      3.89571832    -16.50640939
  O     13.56749429      7.66563964    -14.64768215
  H     17.65108124     10.63530651    -11.01417750
  H     19.24093324      9.26002137    -14.31910580
  O     15.62345524      5.05046700    -11.47320989
  H     13.53931712      6.73011904    -14.41014384
  H     19.46830373      7.80313930    -13.83269426
  O     19.33787801      5.97136417    -14.32714125
  H     14.44424145      7.97432142    -14.36810880
  H     16.24738948      9.30947216    -13.87511496
  O     14.06339293     11.88982874    -14.79055278
  H     14.99672359      5.05763562    -10.74090214
  H     16.31578772      8.05486863    -12.95940944
  O     12.28215674      8.40271940    -12.31761698
  H     16.08906942      5.89954799    -11.41567762
  H     15.40335021     11.23868791    -10.37969977
  O     16.63548241      7.57888211    -11.24637022
  H     18.72798890      5.33769002    -13.90902778
  H     14.45080004     11.85119675     -9.32209532
  O     16.82953908      9.09797692    -17.26922087
  H     20.13347626      5.48591511    -14.53101519
  H     12.57292013     10.24343968    -12.38528478
  O     11.80625229      5.74312648    -11.72306561
  H     13.65461802     12.70708901    -15.06298187
  H     13.45692248     11.23344129    -11.60167131
  O     17.06500498      6.68960393    -15.81916666
  H     13.63471077     11.62811823    -13.95571726
  H     16.89822293      4.04852148    -14.16193579
  O     14.19562102      9.63935916    -16.57754116
  H     12.67011266      8.25447485    -13.19231236
  H     16.90944926      4.34686502    -12.65329133
  O     15.67803154      4.31910473    -15.65597370
  H     11.90486324      7.54993622    -12.06035926
  H     14.43958239      5.06321593    -12.90804169
  O     19.52617846      8.72901497    -13.56645502
  H     15.84897006      7.97650719    -10.84549754
  H     14.32245021      4.67357378    -14.39225238
  O     16.08377295      8.35895540    -13.84538002
  H     17.40678723      8.11419606    -11.02563763
  H     13.50987027      5.67293023     -8.58587254
  O     14.51353686     11.17078940     -9.98634718
  H     16.92648196      8.17824255    -16.99373251
  H     13.85303975      6.73027772     -9.65827290
  O     12.97894233     11.11945392    -12.43078872
  H     15.89786017      9.32248540    -17.12450301
  H     17.98534645      9.95853591    -16.33611239
  O     17.48756517      4.19267017    -13.41148427
  H     12.33826868      5.37665635    -12.44183391
  H     19.19681132     10.91967904    -16.27584636
  O     13.82312597      5.04325020    -13.65385472
  H     12.32620965      5.61199112    -10.92149278
  H     14.26144031      9.34943710    -10.01735576
  O     13.68947780      5.78313725     -9.51634124
  H     17.93431045      6.44189498    -15.48080465
  H     13.53805439      8.40562833    -11.00911572
  O     18.59837615     10.41563010    -15.73129463
  H     16.69223878      7.29510833    -15.15871223
  H     19.15951509      9.07324402    -11.91409472
  O     14.16515993      8.42268387    -10.27013035
  H     13.81730192      8.91483377    -16.06271522
  H     19.69104717      9.16671902    -10.46361923
  O     18.89476396      9.20906016    -10.98567579
  H     14.07756776     10.42936943    -16.03713563
  H     15.79159998     11.46581823    -14.31904198
  O     16.59635519     11.11521190    -13.91492979
  H     16.10315351      5.17978916    -15.81204829
  H     17.28415641     11.04074888    -14.58871050
          69
 Energy    -250.20058772784938     
  O     13.27447734     12.63241504    -13.26009124
  H     13.55763444     12.75966239    -14.17380559
  H     12.86678760      6.00570841    -15.55074364
  O     14.85605266      6.63195429    -13.64612643
  H     13.98041677     12.13579169    -12.82437945
  H     17.89879213      6.79561032    -13.66561820
  O     17.47570797      9.40030994    -11.83759742
  H     14.12032842      6.72267033    -13.02412582
  H     16.48972240      6.67901304    -13.07013523
  O     18.12510797      9.88801877    -14.60536701
  H     14.52890660      6.13503323    -14.40550827
  H     16.90361172     10.59782793    -15.63261679
  O     12.82973816     10.68865614    -17.28860093
  H     17.40071081      9.32144605    -10.87805291
  H     16.00199289     10.39284980    -16.91929499
  O     14.19646078      8.52661825     -8.94703831
  H     17.46445592      8.49219620    -12.17385752
  H     14.70792410      8.36667877    -14.35215618
  O     12.70655108      6.91248221    -11.93762816
  H     18.01228562      9.86531428    -13.64744571
  H     15.03614519      9.70603886    -15.11156539
  O     15.00935556     10.66702729    -12.24087583
  H     18.27680755      8.97708757    -14.88771711
  H     10.29630028     11.73392534    -12.55728281
  O     15.90971794      7.11407561    -16.85940132
  H     12.28758927     10.26851511    -16.60787571
  H     11.79729505     11.78276545    -12.93642142
  O     14.05094924      5.76987560     -9.74991498
  H     13.15302058     11.50735161    -16.89271027
  H     16.89671755      7.02906748     -9.74969990
  O     18.27403666      7.17878516    -15.49293808
  H     13.59594748      8.97164188     -9.55862772
  H     17.06836962      6.24430820    -11.06425177
  O     13.65579179      5.60270710    -15.95693865
  H     14.05768692      7.58196119     -9.08788579
  H     11.49674342      7.68682231    -14.79355150
  O     17.42548008      6.77366587    -12.82673061
  H     12.65642119      7.84136159    -11.67041271
  H     11.82195759      6.71411383    -13.64371430
  O     16.10997552     10.89584948    -16.10335674
  H     13.05897551      6.42527049    -11.18153075
  H     15.92693232      8.82377340     -9.03918181
  O     14.41611398      9.27214964    -14.51372962
  H     14.76233992     10.20267542    -13.05625977
  H     17.23867508      9.17330960     -8.30007906
  O     11.04905631     11.18390058    -12.75589044
  H     15.89271191     10.34670860    -12.02542856
  H     14.20216569      9.81385658    -17.95170645
  O     16.70407701      6.18255827    -10.17160196
  H     15.59065124      7.86173377    -17.37974121
  H     15.05616212      9.50896295    -19.20301853
  O     11.61941965      6.75010777    -14.58726065
  H     15.13235878      6.58377541    -16.64757259
  H     12.03178302     10.08829233    -11.54811620
  O     16.89573132      8.85716759     -9.13171300
  H     15.00617287      5.83710919     -9.92869419
  H     13.56666171      9.97227633    -11.41882861
  O     15.03953206      9.41834211    -18.25393097
  H     13.92704172      4.99349949     -9.21057304
  H     14.95482120     12.21504455    -15.96159428
  O     12.73101604      9.58376462    -11.11727162
  H     18.94235801      6.79566047    -16.05499942
  H     14.52128137     13.65780139    -16.30807316
  O     14.20503436     12.83542436    -15.94172114
  H     17.43457560      7.12746664    -15.98339722
  H     12.66638392      9.44445073    -14.79422321
  O     11.71514906      9.52721910    -14.97336438
  H     13.39454943      4.73576106    -16.25563376
  H     11.35371107     10.07384010    -14.26611859
          69
 Energy    -250.20055161865216     
  O     13.76974050     13.32889676    -11.46640748
  H     13.15955582     13.64921789    -12.13859351
  H     12.54147225     10.34158034    -13.03120255
  O     14.09284331     11.13924468    -17.43924137
  H     14.34222565     12.70008799    -11.93307103
  H     13.51614431     13.59044581    -15.23997902
  O     15.17683684      8.04802542    -12.23022138
  H     14.09076307     11.95717979    -16.91077051
  H     15.03894428     13.53101042    -15.52015111
  O     18.04496242     14.07609570    -12.26330703
  H     14.01614073     11.40402492    -18.35213894
  H     11.27531498     13.83736827    -13.97545660
  O     12.83136853      9.13726604    -15.92557622
  H     15.88642876      8.60169080    -11.88240251
  H     12.21750976     12.61863003    -13.83288897
  O     13.77906873      5.61816512    -12.13651431
  H     14.34753222      8.50416336    -12.02173850
  H     18.80728635     11.34105576    -13.55814887
  O     13.77398500      5.24666499    -14.82704407
  H     18.41667288     13.17711455    -12.32839317
  H     18.30776737     10.92560284    -12.15179215
  O     15.20392830     11.54486143    -13.06635160
  H     18.78190364     14.67231808    -12.15720048
  H     13.30648430     11.94561003    -10.21232364
  O     12.77073995      9.28746247    -11.64586569
  H     13.61076343      8.65647751    -15.60686318
  H     14.21311726     11.07815958     -9.33083468
  O     15.06467260      7.75726042    -14.98292044
  H     13.15379200      9.78186388    -16.56810975
  H     15.65263474     10.26795429    -16.76052098
  O     18.41888647     11.35220536    -15.43300990
  H     12.90973881      5.96421413    -11.90122293
  H     16.03418460      9.05219744    -15.88350991
  O     12.56221989     10.89720292    -13.82451470
  H     14.39005494      6.36383969    -12.04816977
  H     11.75482304      7.76073345    -15.13847692
  O     14.16991140     13.37956518    -15.91612203
  H     13.92624105      4.34312558    -15.08895815
  H     12.17505597      6.32157830    -14.80311069
  O     12.18654961     13.59267765    -13.83502979
  H     13.80789880      5.26861331    -13.85316562
  H     16.46802842     11.31659219     -8.06051359
  O     18.90141350     11.53127111    -12.61652455
  H     14.37727951     11.26923783    -13.48125249
  H     16.17775821     12.20801926     -9.29188204
  O     13.32728402     11.11986123     -9.71080919
  H     15.66786828     12.12934242    -13.67852272
  H     16.24646337     10.60284427    -11.97456502
  O     16.39391348      9.83372686    -16.32285337
  H     12.14522726      8.56681250    -11.51051138
  H     16.64277002     10.41495164    -10.48573387
  O     11.49907307      6.98707775    -14.62131674
  H     12.86220472      9.83130827    -10.84901288
  H     11.24863175      7.00585286    -12.87728148
  O     16.09609158     11.30359965     -8.93819381
  H     15.17356321      7.90461812    -14.03188355
  H     10.37184158      6.63077518    -11.65860440
  O     16.82884583     10.10152039    -11.37968020
  H     14.74599409      6.85177903    -15.08001967
  H     15.30674632     13.81909240    -10.51509465
  O     11.22846934      6.96973427    -11.90351408
  H     19.12624396     11.29538507    -16.06974785
  H     16.81781388     13.91369104    -10.82578531
  O     16.18502645     13.74656416    -10.11698199
  H     17.71568754     10.75372816    -15.74449084
  H     17.07236097     13.78756678    -13.85592397
  O     16.65539240     13.38202367    -14.62696657
  H     12.56736414     10.30708386    -14.58839399
  H     17.30234357     12.76611558    -14.99849203
          69
 Energy    -250.20039023019712     
  O     12.52990835     10.92228882    -15.36673635
  H     11.94995873     10.47224886    -14.74134643
  H     17.45590403     11.21730474    -14.90815996
  O     15.61300887      6.32757283    -12.89884330
  H     12.88467866     10.23726041    -15.95088303
  H     16.17260482      8.40554206    -14.80199349
  O     17.15559442     10.19197001    -11.11050412
  H     15.39988755      7.10820280    -13.43346936
  H     14.69068144      8.72951626    -15.09306904
  O     13.17055028      6.18602130    -16.37780811
  H     16.39918901      6.57353927    -12.39329518
  H     11.54598083      9.48824880    -12.64070914
  O     13.74590260      9.09851624     -8.69640569
  H     16.31355711     10.37838404    -11.55405476
  H     10.09772817      9.65346788    -13.15448365
  O     13.27245722      6.56930454    -11.52010121
  H     16.96972891     10.14944256    -10.16462394
  H     16.69729342      7.88375560     -8.73795329
  O     14.88567402     10.59270291    -12.56720205
  H     12.73018773      6.37959149    -15.53004062
  H     17.15519722      6.95999633     -9.87967285
  O     14.06003291      6.25615926     -8.83551158
  H     12.60675029      5.57573172    -16.84597847
  H     12.33340540      6.62009265    -13.16098615
  O     17.47895207      7.64866834    -15.90717817
  H     13.73519510      8.13512895     -8.62836388
  H     11.57591082      7.71712197    -13.93343200
  O     15.84120613      5.46122868    -15.60320675
  H     13.30130389      9.30552137     -9.52790328
  H     18.14390064     10.70938446    -12.53969248
  O     19.23923626      8.11897362    -13.80282647
  H     14.11057050      6.39266024    -11.97557104
  H     19.29381806     11.52211813    -13.16650557
  O     16.86125707     11.37527394    -15.65125068
  H     13.42041652      6.35183650    -10.59217914
  H     18.40624155      7.51630417    -12.30983601
  O     15.33276208      8.63197393    -14.37968703
  H     15.07494045      9.88154305    -13.20188247
  H     17.53120236      8.37174962    -11.38374091
  O     10.99229713      9.48364604    -13.43982396
  H     14.74793651     11.38969625    -13.09211783
  H     16.51438089     10.21693196     -7.61897555
  O     16.67078482      6.96896431     -9.04339163
  H     15.01652723      6.42405229     -8.91853773
  H     15.40747781      9.61175316     -8.51470264
  O     11.99184066      6.85311536    -14.03367791
  H     13.95858050      5.55795529     -8.19444588
  H     16.58117103     10.26503219    -16.96604278
  O     18.58511222     10.91812485    -13.37896259
  H     16.97647814      6.81896602    -15.92974139
  H     16.72729658      9.95177605    -18.47516447
  O     17.78365104      7.45758522    -11.57050088
  H     17.20957181      8.18852201    -16.65857619
  H     13.50937275      9.79928316    -11.73364524
  O     16.36516402      9.77924873     -8.45275513
  H     14.94118176      5.62669773    -15.90922565
  H     12.96772291      8.36369826    -11.42291632
  O     16.39304874      9.60024483    -17.65447696
  H     15.79978595      5.49910300    -14.63833536
  H     13.75849356     12.01445318    -14.86037260
  O     12.76502807      9.30922267    -11.35398257
  H     19.15167094      9.07635090    -13.73266688
  H     14.23175430     13.46303344    -14.58492004
  O     14.49891044     12.55055387    -14.51998623
  H     18.74297284      7.87533225    -14.59717821
  H     13.61551286      7.94243198    -16.79074570
  O     13.81782640      8.88591491    -16.74036063
  H     16.08778820     11.82573107    -15.29050244
  H     14.65129908      9.05453694    -17.19937177
          69
 Energy    -250.20003516917319     
  O     10.53217149      9.97202339    -12.70972822
  H     11.31106277     10.53316064    -12.81785127
  H     15.25573458     13.82861960    -14.10176109
  O     14.42357835      7.64760698    -15.52566650
  H     10.31164953      9.64980591    -13.59249648
  H     16.38760032      9.64904910    -13.79022601
  O     16.87497087      9.61589096     -9.72512434
  H     13.79451968      8.36855387    -15.65618737
  H     15.45978623      8.49206344    -14.30920302
  O     17.64325108     10.53347693    -16.59175237
  H     14.04215483      7.04393725    -14.87122902
  H      9.96983697      7.72430008    -10.53874448
  O     12.74536977      9.84070282    -15.62493007
  H     16.62865936      8.67379564     -9.71484760
  H     10.61532688      8.58054726    -11.65425297
  O     13.61625227      5.93381689    -13.48931166
  H     17.06388436      9.85906547     -8.82246009
  H     16.82975437      7.46215396    -12.81673564
  O     14.60030167      9.83487401    -11.39946023
  H     18.04929535     10.88915248    -17.37834952
  H     18.26311480      6.97173459    -12.53961091
  O     16.11027654      4.61563667    -13.63984526
  H     16.68972759     10.71388228    -16.66948012
  H     11.77881429      6.16138112    -13.77072808
  O     17.22958073     11.33234611    -13.93525560
  H     12.84248335     10.28824943    -14.77234134
  H     10.71261418      6.78466150    -12.85454336
  O     16.76517164      6.19315139    -16.00967335
  H     11.85095521      9.47801347    -15.64216696
  H     19.10354408      9.43293778    -12.21361333
  O     18.72450273      8.09459897    -15.53370116
  H     14.38590225      5.35304080    -13.52493963
  H     18.12115575     10.00214148    -11.15341572
  O     15.02974447     12.90966754    -14.21959017
  H     13.62846711      6.38108138    -12.63060714
  H     19.44729901      7.97129461    -13.98780391
  O     15.92739090      8.83978136    -13.53886162
  H     15.04874150      9.46543742    -12.17909103
  H     20.70536603      7.64211393    -13.14623797
  O     10.67884209      7.73404364    -11.17597633
  H     15.28968141      9.95276036    -10.73650070
  H     16.56350814      6.79798236    -10.74095911
  O     17.33539035      6.73698185    -12.41753660
  H     16.60592570      5.30501350    -13.16510956
  H     15.13705698      6.95780922    -10.17697287
  O     10.87476073      6.50222253    -13.76326783
  H     16.44626725      3.77581698    -13.33735120
  H     14.20263942     10.73453493    -16.45635074
  O     18.66740808     10.23978289    -11.91235760
  H     17.83113035     11.03650100    -13.23452139
  H     14.96234818     11.94348323    -15.90128921
  O     19.78449494      7.87641299    -13.07632708
  H     17.60511401     11.12141734    -14.79932271
  H     13.78780834      8.22246889    -11.13617268
  O     16.07052314      7.02067109     -9.93848247
  H     15.94466125      6.70469086    -16.04583426
  H     12.49729997      7.38882718    -10.97397451
  O     15.00736866     11.25401443    -16.57512162
  H     16.60544792      5.51441558    -15.34554811
  H     13.60032057     11.92482180    -13.51012708
  O     13.45647298      7.31624266    -11.05719978
  H     18.38065564      8.89006167    -15.95307248
  H     13.50804563     10.78645015    -12.47258368
  O     13.01848374     11.22836537    -13.18167987
  H     18.09580210      7.38651883    -15.73996186
  H     10.44785514      7.84425888    -14.79424259
  O     10.22919096      8.67315317    -15.25740488
  H     15.83423051     12.39544188    -14.02776894
  H      9.47066607      8.49123734    -15.80515814
          69
 Energy    -250.19876754173831     
  O     18.50463796      9.98347793    -10.49792210
  H     19.24238711      9.38544012    -10.66975206
  H     13.82506356     10.21641708     -8.01524432
  O     13.76422963      5.81483086     -9.49421081
  H     17.80475855      9.43470980    -10.11084606
  H     19.86471835      6.58373978    -13.75369056
  O     17.77150191     11.35180837     -8.14578855
  H     13.41499952      4.95006836     -9.69531668
  H     18.93315297      5.75443796    -12.84571826
  O     12.47118996      8.31855420    -10.06689406
  H     14.46522508      5.99079619    -10.14374605
  H     15.96644062      7.32227861    -10.57674636
  O     16.98447330     10.50407597    -12.72797525
  H     18.08865142     10.71402737     -7.49495227
  H     15.61553666      7.04819133    -12.05607163
  O     20.32439354      7.94474189    -10.93269097
  H     18.17970324     11.08328227     -8.98060808
  H     20.20467248      8.72027380    -14.01275990
  O     20.30265273      7.71717945     -8.12291196
  H     12.57243177      8.79649581     -9.23544918
  H     21.71293225      8.40713949    -14.15896508
  O     18.44650110      5.84532461    -11.02269656
  H     12.80756756      7.43087112     -9.89943725
  H     19.37215287      8.76326896     -7.05437833
  O     13.39538035      9.66799924    -12.29688414
  H     17.58261763     10.37281685    -11.97714364
  H     19.26537065      9.44540123     -5.67117085
  O     15.16213685     10.97209865     -8.87889721
  H     16.27803408     11.07745476    -12.40972894
  H     18.23244183      8.75959642    -15.03931844
  O     14.76556894     11.83065477    -11.53011846
  H     19.67039833      7.23232315    -10.98672433
  H     18.17700577      9.96439922    -14.07746342
  O     13.12127993      9.67600288     -7.61733353
  H     20.67556169      8.06186078    -11.82394124
  H     15.87747814      9.30515947     -9.22597103
  O     19.14528186      5.94018144    -13.76944531
  H     19.91665117      6.83320079     -8.10887897
  H     16.60946971      8.06699801     -8.60714267
  O     15.76316713      6.61073763    -11.20708518
  H     20.48685275      7.89630229     -9.05401649
  H     14.08892518      6.63956018     -7.79451438
  O     20.93636827      8.18802607    -13.65149471
  H     17.50611462      6.04465320    -11.13137742
  H     13.87047208      8.00923449     -7.11895480
  O     18.76528807      9.23657270     -6.45636243
  H     18.55774193      5.53949367    -10.11402738
  H     16.05546436      8.97419720    -13.19277515
  O     18.76639508      9.46920211    -14.66123800
  H     13.96424657      9.06425436    -12.78857855
  H     16.01604396      7.78827667    -14.18757961
  O     16.41167335      8.52758483     -9.43176167
  H     13.01499008      9.16770537    -11.55961056
  H     18.03745058      5.89262475     -7.80959970
  O     14.31554142      7.15937755     -7.01237272
  H     15.03723131     11.34405107     -9.76151967
  H     18.76043878      4.52699690     -7.73711245
  O     15.54293808      8.19369724    -13.45081224
  H     16.03603148     11.23931897     -8.55414337
  H     17.46292901      7.87122863     -6.66579114
  O     18.69264872      5.32602516     -8.25360250
  H     14.35135284     12.62921373    -11.84561464
  H     16.06536021      7.14151727     -6.87868920
  O     17.01556219      7.11894759     -7.07301148
  H     14.20479905     11.08554501    -11.81983893
  H     17.91203376      6.61306419    -14.81374209
  O     17.27884598      7.10865863    -15.36361287
  H     12.57751081     10.26733690     -7.10320071
  H     17.19904691      6.63575314    -16.18734995
          69
 Energy    -250.19811705844876     
  O     15.59977785      4.55636730     -9.67640206
  H     14.68533969      4.51984496     -9.99377078
  H     12.42744324     10.28778532    -13.18028334
  O     13.70140946      8.12394567    -16.65419215
  H     16.16296522      4.57937705    -10.46025529
  H     15.83812463     10.45359135    -11.60237507
  O     17.15087282      9.52755325    -14.54265658
  H     13.29649281      8.05769764    -17.51509129
  H     15.61809786      9.01349159    -12.11378526
  O     14.51429428     11.62800930    -11.18870682
  H     13.02411479      7.86211239    -16.00587720
  H     14.56326170      7.03492718    -12.80234781
  O     11.85432779      7.43481241    -14.78596132
  H     16.92859221      9.64728166    -13.60767267
  H     14.09065279      7.59940361    -11.42038306
  O     19.53292806      4.85045434    -13.37187203
  H     18.10623235      9.40421593    -14.59462383
  H     12.69018437      4.94010463    -11.50190803
  O     12.44866084      4.97328894    -13.45227483
  H     14.11283592     11.82103223    -12.04634463
  H     12.96776651      5.78105864    -10.23542876
  O     17.67368828      7.65199198    -10.64250198
  H     13.82738174     11.18829159    -10.67485546
  H     20.66930015      9.28731946    -14.72665638
  O     12.31581496     10.04052719    -10.09031389
  H     11.73552403      8.12417453    -14.12110726
  H     19.95231016      8.39139344    -13.68764739
  O     18.84556720      6.31573358    -15.54954649
  H     11.94705164      6.60224550    -14.30629512
  H     15.81517252      5.31522444    -13.08927316
  O     13.23478542     11.85133399    -13.74750177
  H     20.10931217      4.12920826    -13.60819493
  H     15.49117474      6.02486018    -14.44140667
  O     12.14561598      9.44760927    -12.79383156
  H     19.28637047      5.30002211    -14.20041163
  H     15.63999351     10.30941633    -15.28479587
  O     16.30555590      9.67318876    -11.92847199
  H     12.20005578      4.11530982    -13.78927691
  H     14.36633649      9.78289008    -15.98521099
  O     14.33084775      7.83987334    -12.32678417
  H     13.40794479      5.06037548    -13.59271972
  H     15.34278415      7.43107883    -16.11899349
  O     12.98462308      4.88075567    -10.58695398
  H     17.26745723      8.43368269    -11.04465856
  H     16.49019834      7.98054439    -15.23604804
  O     19.85823410      8.81506662    -14.56003586
  H     17.19814098      7.48329122     -9.82053815
  H     19.97181447      6.51986085    -12.49781392
  O     15.10222824      5.52927638    -13.70742192
  H     12.11515214      9.83094204    -11.01828004
  H     19.30667992      7.56007866    -11.56978993
  O     14.74591831     10.55801036    -15.55488697
  H     11.51296184     10.38703093     -9.70815912
  H     17.98099903      4.95047268    -12.38777737
  O     16.14929999      7.17560593    -15.65409392
  H     17.91294363      6.49251313    -15.72739225
  H     17.33465127      6.06647068    -11.52433213
  O     20.00830074      7.44469997    -12.22399439
  H     19.24839051      7.17495162    -15.37052995
  H     15.86668300      6.02746533     -8.81821497
  O     17.16964759      5.20339570    -11.93041221
  H     13.80445442     11.43286162    -14.41859732
  H     16.22649334      6.83267031     -7.54374734
  O     15.99263025      6.92822347     -8.46297671
  H     12.88568740     12.64560912    -14.14235211
  H     13.14957515      8.40100788     -9.63591604
  O     13.52593031      7.51549206     -9.70606197
  H     12.93807559      8.88973551    -12.72426537
  H     14.33109726      7.47091727     -9.17401980
          69
 Energy    -250.19808061310573     
  O      1.97059169      0.28714695      3.40353628
  H      2.06411891     -0.65332617      3.21245589
  H      0.41569451     -3.54153373      2.84027972
  O      2.38887958      1.87304528      1.04217087
  H      2.15925790      0.76617991      2.58738687
  H     -4.68213348      2.02245419      4.44990572
  O     -2.57100835     -2.38621586      3.51916227
  H      1.51070001      2.28685168      0.95009113
  H     -4.34595088      1.04816163      3.29796445
  O     -0.11971032     -3.81957698     -2.79245459
  H      3.02396695      2.58470266      1.05835547
  H     -2.34288801      0.68980726     -0.72425889
  O     -1.63549705     -0.02177440     -3.96426833
  H     -1.82380715     -2.98926753      3.39023780
  H     -2.36589497     -0.00176856      0.64909237
  O      0.84616316     -1.34002785     -3.35581168
  H     -2.42503597     -1.83203468      4.29990964
  H     -1.84615092     -3.00645768     -3.10283733
  O     -1.43360272      2.18867802      3.10892023
  H      0.30278722     -2.96231664     -2.98087877
  H     -3.04437687     -2.51281057     -2.27394819
  O     -4.80845359     -2.64341458      2.01979091
  H      0.27521160     -4.45489756     -3.38375980
  H     -1.28402502      0.46995027      2.44833807
  O     -0.95197126      1.44075600     -1.65150937
  H     -2.02067247      0.21154319     -4.80476395
  H     -1.75411501     -1.02295622      2.56431083
  O      1.57624993      0.26124960     -1.15845187
  H     -2.06825590     -0.84585651     -3.67813585
  H     -0.65160802     -3.97921093     -1.01000364
  O     -4.89424343      0.21252936      1.88138510
  H      1.26218559     -0.77500484     -2.69187548
  H     -1.83901572     -3.41480127     -0.18746445
  O     -0.45503504     -3.94323735      2.74520058
  H      0.08621076     -0.84291006     -3.68313232
  H     -0.02646750     -1.11400845      1.05695866
  O     -3.97428600      1.50727901      4.07236830
  H     -0.86030858      2.01448746      3.86831916
  H      0.08883839     -2.40418558      0.20507018
  O     -2.92007482      0.21043389     -0.11848498
  H     -2.34444503      2.09984050      3.41932479
  H      0.62905114      1.55877198      5.93052648
  O     -2.61553314     -2.42492707     -3.13494951
  H     -5.40346563     -3.27747785      2.41075705
  H      0.83780054      0.84724579      4.57351106
  O     -1.30071357     -0.38376918      2.00015091
  H     -4.02614025     -2.59682703      2.59902324
  H     -1.38522335      0.07014918      5.38222266
  O     -0.96380237     -3.82212487     -0.10919332
  H     -1.22993681      1.08521967     -2.50556158
  H     -2.87607886      0.24112370      5.03022172
  O      0.58215231     -1.62947311      0.50401474
  H     -0.07250346      1.06996063     -1.49115229
  H      1.65107803     -2.18706341      1.78911270
  O      0.16249774      1.20444667      5.17848272
  H      2.02826874      0.84870925     -0.54323381
  H      2.88399991     -2.92047901      2.36805223
  O     -2.22825235     -0.39803272      5.35396022
  H      1.24539119     -0.46979148     -0.61084872
  H     -3.24862561     -1.53276363     -0.41680912
  O      2.08243627     -2.46525438      2.61598921
  H     -5.01617738     -0.74284267      1.93896959
  H     -3.98523526     -2.66963176      0.32147736
  O     -3.40685722     -2.48918341     -0.42861435
  H     -4.35197117      0.35927556      1.09487942
  H     -0.66303840      2.73777120      1.49145036
  O     -0.09765619      2.88251157      0.72108542
  H     -0.59872615     -4.06089150      1.79684562
  H     -0.56686597      2.55672375     -0.05522075
          69
 Energy    -250.19759658464170     
  O     -2.61407893     -4.61374120     -5.44878059
  H     -2.34373276     -5.00156661     -4.60613825
  H      1.44399385     -5.49561967     -1.52842186
  O     -3.33229596     -1.98804198     -5.44571025
  H     -1.84404400     -4.66858631     -6.02814034
  H      1.45488287      0.84990962     -1.34261181
  O     -0.17186283     -4.32582028     -6.95193110
  H     -4.20635731     -1.87862214     -5.81054691
  H      1.50961346      2.39684090     -1.29265826
  O     -1.59611155      0.61563234     -0.89212824
  H     -3.15193134     -2.94522704     -5.42977541
  H      0.71876584     -1.85810372     -0.99158093
  O     -1.49215364     -5.36643414     -2.96773618
  H      0.12581297     -4.55955412     -7.82655196
  H      0.83810116     -3.39481924     -1.08482023
  O      3.61118097     -2.56082199     -0.89984551
  H     -0.34092552     -3.36633849     -6.95744731
  H     -2.81882419     -3.64619018      1.75580361
  O      0.72693032     -4.31551978     -4.28677107
  H     -0.74026008      1.03996836     -1.03228638
  H     -4.06914090     -4.54487087      1.58335784
  O     -1.85764292     -2.52814172      2.63411037
  H     -1.79792688      0.09757386     -1.68012520
  H     -2.05927418      0.86543713      2.17235488
  O      0.43674482     -1.54018460     -4.08092956
  H     -1.85465117     -4.68252721     -2.38570889
  H     -1.68914215      0.25644556      0.80226976
  O      0.67612910     -3.48385170      1.89878737
  H     -1.01572328     -5.98669149     -2.40251256
  H      0.29970770      0.08101118      1.73290712
  O      3.00074018     -1.89912972      1.85147501
  H      3.20586638     -3.40445891     -1.13657256
  H      1.27270943      0.75051238      0.75751898
  O      1.90494114     -4.69195565     -1.79974475
  H      3.46310980     -2.43428807      0.04617192
  H     -1.65373160     -5.39961548      1.16134760
  O      1.06972561      1.63916637     -0.91777491
  H     -0.06292587     -4.66997479     -3.85092838
  H     -0.18316294     -5.09792725      1.51596026
  O      0.29432604     -2.67985921     -0.72266054
  H      0.58304470     -4.41818953     -5.23516066
  H      0.31117292     -7.75762388     -1.05610780
  O     -3.23823395     -4.31206254      1.17924769
  H     -1.83975136     -1.60179124      2.36070722
  H     -0.19244972     -6.49440864     -0.31582816
  O     -1.62295852      0.12151208      1.76442593
  H     -0.94525560     -2.84118362      2.57198270
  H      1.55244817     -0.94637347     -2.79385776
  O      1.23594389      0.15005064      1.51184707
  H      0.57117232     -2.49703149     -4.13123877
  H      2.63387692     -1.27753520     -1.68872771
  O     -0.76244158     -5.76629345      1.12548628
  H     -0.43274807     -1.39638526     -3.67892981
  H     -1.39983813     -3.07290144     -1.01342068
  O      0.14325116     -6.82608398     -1.16890372
  H      0.46865569     -3.15938164      1.00827116
  H     -2.74492673     -3.64026429     -0.47416595
  O      1.93987919     -0.65773547     -1.95595258
  H      1.53619217     -3.09950060      2.09901242
  H     -1.66292025     -1.64660570     -6.36881398
  O     -2.29992257     -3.33074445     -1.27169543
  H      3.67147286     -1.62452959      2.47124114
  H     -0.22307265     -1.45034351     -5.87120499
  O     -0.74130561     -1.68008690     -6.65432852
  H      2.39755553     -1.14157210      1.74140940
  H     -2.32211164     -1.93155990     -2.41958209
  O     -2.13458017     -1.19673106     -3.02226818
  H      1.70269528     -4.57269781     -2.73903531
  H     -2.63586876     -1.36374684     -3.83015319
          69
 Energy    -250.19692419700667     
  O     10.58380464     10.54040982    -12.26234161
  H     11.50917643     10.74554344    -12.45548195
  H     17.40106704     10.88486851    -16.13070300
  O     13.94067684      7.24183803    -15.06576407
  H     10.60378554     10.00050730    -11.46154709
  H     15.33345154      8.08958398    -14.25062884
  O     17.96877562     10.70090911    -11.26563385
  H     14.33081692      6.83328492    -15.84791156
  H     15.96687477      9.30474906    -13.48908110
  O     18.56661826      9.60700783    -16.97579647
  H     13.37741159      7.98189969    -15.32434002
  H     10.92803303      8.56804272     -9.24607628
  O     12.49093415      9.58519273    -15.35105444
  H     18.54568290     11.27852547    -10.77319178
  H     11.98717170      8.58335308    -10.37206920
  O     13.32653837      6.11163181    -12.62115325
  H     18.51570890      9.95741490    -11.57705467
  H     18.22423384      5.75808738    -10.03609812
  O     15.95402329     11.13039996    -13.15031011
  H     17.79109455      9.19332218    -17.39712924
  H     17.30297606      6.15685290    -11.21214420
  O     16.28220241      8.55556169    -17.97452460
  H     19.18074122      9.81770547    -17.67391894
  H     10.63959181      7.38404768    -11.60955913
  O     18.61260297      7.92103300    -14.72205618
  H     12.82371531      9.93576425    -14.50908371
  H     10.40841636      7.43053390    -13.12838230
  O     15.47651753      6.00173421    -17.03798531
  H     11.57146555      9.33894988    -15.19190251
  H     18.98722205      7.76312465    -11.55707720
  O     17.27495692      5.46853088    -15.08042650
  H     12.36796685      6.19286653    -12.51495338
  H     19.24933098      8.26947625    -12.99757906
  O     16.67916593     11.40804097    -15.76243456
  H     13.51748631      6.43006970    -13.51636586
  H     15.15768144      5.73046792    -12.40423373
  O     16.09118527      8.37874544    -13.72526893
  H     16.68775381     11.11855858    -12.52358377
  H     16.16108288      6.82175961    -12.82155516
  O     11.03313086      8.64788373    -10.19028933
  H     16.29427680     11.33867687    -14.03419004
  H     16.71874235      9.48247863    -10.41442353
  O     17.93928848      6.50079231    -10.56195424
  H     16.00594728      7.66707376    -17.71917144
  H     16.77474073      7.97719882    -10.11812448
  O     10.66996546      6.84415038    -12.40936170
  H     15.54953397      9.14842134    -17.76602064
  H     13.91256859     11.09066913    -17.81645677
  O     19.33991600      8.50453517    -12.06442838
  H     17.71969262      8.12733525    -14.40027693
  H     13.63169387     10.20690578    -16.58525355
  O     16.10245056      5.91229615    -12.48497738
  H     18.75387358      8.48668498    -15.49030687
  H     14.51467989      8.52073407    -10.65447208
  O     16.18699099      8.74175616    -10.10093032
  H     16.14321436      5.76108903    -16.36892226
  H     13.60766756      7.59308667    -11.54062873
  O     14.32640091     10.48898455    -17.20109762
  H     15.32994281      5.22617223    -17.57273691
  H     13.42217785      9.74671809    -12.24807298
  O     13.62677347      8.40959833    -11.02425154
  H     17.90502998      6.20082995    -15.02940701
  H     14.20075942     10.88507026    -12.94912848
  O     13.32969889     10.46962246    -12.88496096
  H     16.89103374      5.39574124    -14.19830572
  H     10.08831920      9.54861354    -13.61552667
  O      9.95647219      8.92256382    -14.35121027
  H     15.89134707     11.16235839    -16.26201757
  H      9.04903370      9.01372511    -14.62991414
          69
 Energy    -250.19634890245371     
  O     10.85710375     10.65851521    -11.67863252
  H     10.37085008     10.33303852    -12.44667790
  H     14.54445531     12.09786309    -13.93633873
  O     13.59630327      7.27514064    -15.13493974
  H     11.69130366     11.00377979    -12.01902341
  H     15.32978101      8.67131928    -12.69167129
  O     17.42207290      9.36902554    -10.51377968
  H     14.13141057      6.85711911    -15.81696828
  H     15.97147745      7.46002180    -13.46980280
  O     17.10251979     10.36557886    -14.56442512
  H     14.23983252      7.74777859    -14.57943866
  H     10.28739777      8.78211220     -9.17687045
  O     12.21333516      9.65675514    -14.99409424
  H     17.63782228      8.46579508    -10.24900558
  H     10.83104695      9.36355568    -10.50426786
  O     15.46960640      5.67458379    -10.18780471
  H     18.01769178      9.57238746    -11.24503551
  H     18.54096825      6.68714389    -11.84902980
  O     12.66990923      5.97859739    -12.85222892
  H     16.55768843     11.16206927    -14.57341852
  H     18.91334933      7.76311889    -12.88331230
  O     14.79987801      9.56081942    -11.23164019
  H     16.52586861      9.64351901    -14.26583762
  H     10.25563513      7.46808701    -11.45922680
  O     16.22694767      9.08779324    -16.96978655
  H     11.29325772      9.53802339    -14.72898986
  H     10.91851542      6.58232892    -12.53703654
  O     14.83589895      4.20115517    -12.54586646
  H     12.58966341      8.77578792    -15.12963175
  H     18.44819590      9.98578451    -13.49596229
  O     15.86087681      6.43303227    -16.65701682
  H     15.26715072      5.07133538    -10.91271014
  H     19.89512220     10.16166981    -12.98188320
  O     15.20120924     12.45478116    -14.55828424
  H     14.70968739      6.26671600    -10.11679672
  H     17.42527695      6.01739023    -13.68880636
  O     15.55238264      8.32325284    -13.56503785
  H     13.29163114      5.25056248    -12.72964224
  H     16.45330576      5.91584112    -14.93561541
  O     10.79195179      8.56019026     -9.95448566
  H     12.90981601      6.39646477    -13.69108771
  H     17.08762924      6.26150485    -10.06227603
  O     18.70205741      6.82652495    -12.79182463
  H     14.29530871      8.83445173    -10.84162763
  H     18.43144325      6.22989030     -9.29789560
  O     10.12438717      7.09645142    -12.34037881
  H     15.69517992      9.56470782    -10.85995959
  H     14.47425189     11.51999763    -16.13772082
  O     19.09238287      9.66631729    -12.84142787
  H     15.43876726      9.64633892    -17.04082767
  H     13.33757545     10.50023462    -16.26106790
  O     16.56228256      5.70128846    -14.00067955
  H     16.76707464      9.51883307    -16.29839154
  H     12.43612862      7.75758616    -10.16306413
  O     17.99241034      6.62174091    -10.04795574
  H     14.97881339      3.27425712    -12.71775659
  H     13.05440165      6.93964895    -11.32498911
  O     14.09504664     10.86591793    -16.73605493
  H     15.47474383      4.69284560    -13.09285221
  H     13.01028337     10.60171560    -13.63379169
  O     13.26357010      7.38284510    -10.49007058
  H     16.02959119      5.99892262    -17.48861264
  H     13.87513312     10.64623033    -12.31914598
  O     13.37147427     11.18449504    -12.94868001
  H     16.02537642      7.38327069    -16.80269459
  H      8.77897974      9.26738464    -14.24257214
  O      9.66619358      9.27233111    -13.89416765
  H     15.18524978     13.40300796    -14.45774041
  H      9.77814180      8.44524805    -13.39181188
          69
 Energy    -250.19337329704328     
  O     12.47782587      9.84252344    -15.47217981
  H     12.82951162      9.49295577    -16.30033769
  H     17.37202108      4.70190467    -16.99930946
  O     16.93503236      6.53534904    -13.98907109
  H     12.95619016     10.65751578    -15.28458622
  H     18.23961709      7.44444865    -13.21440262
  O     17.75627857     10.39417736    -11.79910971
  H     16.21307337      6.25424857    -13.41009714
  H     19.44320017      8.32364934    -13.60293432
  O     18.04220014     10.97863645    -14.53980479
  H     16.93053954      6.00172928    -14.79303244
  H     16.94918109     11.95501683    -15.83791248
  O     14.27526278      6.34294242    -16.80076150
  H     18.13755174      9.57448496    -12.14771873
  H     15.43021709     12.18076536    -15.89715399
  O     15.13634758      8.15434479     -9.23391284
  H     17.68666945     10.27129532    -10.84423812
  H     16.34113825      8.12396226    -14.64535472
  O     14.92097166      6.00592178    -12.19240974
  H     18.06277161     11.08402553    -13.58080556
  H     15.99928332      9.08599631    -15.83221455
  O     15.13398967     10.42616706    -12.77811693
  H     17.36488762     10.30107089    -14.69987118
  H     11.91400216      8.76812145    -14.23836102
  O     18.24371079      7.74874808    -17.23594877
  H     13.84993969      6.10624144    -15.96287603
  H     10.67056489      8.18407437    -13.52719234
  O     16.35629746      5.61742518     -9.81533644
  H     15.16479425      5.97639033    -16.77668608
  H     18.82256603      7.41240796    -11.07852448
  O     19.93512583      9.13353889    -15.30727139
  H     15.44213336      7.24236419     -9.31454893
  H     18.31021307      8.02372714     -9.75745070
  O     16.99024132      5.45411333    -16.55574963
  H     14.49514854      8.28364112     -9.94501107
  H     12.52432980      6.55964886    -14.10830900
  O     18.91826251      8.03389967    -12.84934779
  H     14.48835799      6.84800904    -11.98908367
  H     13.69014003      5.69311246    -13.60778500
  O     16.21393068     12.07737032    -16.45145820
  H     15.37807729      5.73165313    -11.38792890
  H     17.51375378     10.01624073     -8.26867875
  O     16.06724699      9.02095498    -14.87258452
  H     15.32630646      9.87192108    -13.55441729
  H     16.55746346      9.16042326     -9.13327078
  O     11.62346665      8.15381663    -13.54026306
  H     15.97825196     10.52385985    -12.31971830
  H     16.16277561     10.50641509    -17.36388934
  O     18.54420580      7.18865657    -10.18084798
  H     17.58943540      8.41351776    -17.49517052
  H     15.24312272      9.33420597    -17.84189401
  O     13.09881279      5.82594005    -14.35873798
  H     18.85110660      8.17842458    -16.62406299
  H     14.12073711      9.17838289    -11.95480498
  O     17.41416142      9.62459337     -9.13199861
  H     16.56812783      4.87236497     -9.25974609
  H     12.84543776      8.32841421    -12.15905399
  O     16.15136208      9.57007214    -17.61326503
  H     17.18630689      6.10613136     -9.96021882
  H     13.58266708     12.90662689    -14.24398830
  O     13.62749912      8.42460713    -11.60082388
  H     19.35823781      9.88857937    -15.10318039
  H     14.37150600     11.63062116    -13.87192055
  O     13.99531822     12.13043521    -14.61560218
  H     20.77737298      9.49651906    -15.57150904
  H     13.76770226      7.80229391    -17.49458920
  O     13.51594455      8.67599665    -17.85110964
  H     17.48052940      6.24110528    -16.85732298
  H     12.97325107      8.51531024    -18.61809404
          69
 Energy    -250.19337186560591     
  O      2.51720074     -1.26444156      6.39698722
  H      3.02785984     -1.60963824      5.65098470
  H      3.14073266      1.53900970      1.57078466
  O     -0.19772116      1.98952656      7.58054451
  H      2.35369707     -0.32281361      6.24034032
  H      1.17831436      1.85867076      2.81218433
  O     -0.90320038     -4.63146190      2.73438385
  H     -0.38581779      2.67809683      8.21222156
  H      0.26292261      0.61779919      2.98702479
  O     -2.31400939     -2.16278345      7.86561881
  H     -0.28674545      1.14187754      8.05325763
  H      3.42986334     -0.75185450      1.26313198
  O      3.78812207     -2.21314138      4.14329468
  H     -0.70496152     -4.79766657      3.66730877
  H      4.65854491     -0.07898759      1.90745491
  O      2.68317067     -4.84975917      4.35129676
  H     -1.54159165     -3.91051494      2.71096063
  H     -1.06153042      1.64157955      4.50170694
  O      1.70475969     -2.41490920      8.71080700
  H     -2.51064051     -1.87479511      6.96426477
  H     -1.30049808      1.73829351      6.01835640
  O     -0.39177549     -0.40107165      8.79996712
  H     -1.76316487     -2.94958251      7.79265413
  H      3.72288227      2.25203949      3.52461874
  O     -0.26735254     -4.28469442      8.05192750
  H      4.53212364     -1.61491018      3.99774906
  H      3.45814359      1.82292160      4.97752048
  O      2.32611357     -2.15945018      1.74140227
  H      3.25268395     -2.17770177      3.33774923
  H      0.96484018     -1.75811075      5.56628985
  O      5.64061953     -0.19215636      3.57882595
  H      3.19660932     -4.03347354      4.38532285
  H      0.19019271     -3.02911821      5.10272422
  O      2.71510207      2.35771533      1.88340551
  H      2.42769623     -4.95803312      3.42588389
  H      1.60884712     -5.56635551      1.04298199
  O      0.49913212      1.47072036      3.37790971
  H      2.42697597     -2.45103606      9.33298711
  H      0.66748671     -4.78293869      1.98807892
  O      3.97722010      0.04490019      1.23574447
  H      2.05959185     -2.01899162      7.89538669
  H     -2.31428744     -0.19793045      5.20402481
  O     -1.73125000      1.51203257      5.18494862
  H      0.34466400     -1.01189151      8.89617262
  H     -1.46408310     -1.48312254      5.25266196
  O      4.16368786      1.95657281      4.33111722
  H     -1.14979763     -0.94447017      8.53771489
  H     -2.68406730     -1.92008986      3.60656741
  O      0.21210408     -2.06441277      5.04954383
  H     -0.44993835     -4.83048787      8.81394071
  H     -3.53123302     -2.25258084      2.35893258
  O      1.58916658     -4.85834265      1.68109682
  H      0.42981129     -3.66364430      8.31543766
  H      1.06585125     -4.93078604      5.12354304
  O     -2.37917283     -1.16456939      5.20809401
  H      2.15329907     -3.09736777      1.59228277
  H      0.00700096     -4.78631667      6.28178825
  O     -2.65007783     -2.31475684      2.71833523
  H      1.46424564     -1.74678233      1.89573364
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  O      0.12328036     -4.81308165      5.32486323
  H      5.16633027      0.59105064      3.91229580
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  H      6.57110934     -0.02257466      3.69670104
  H     -0.98485461     -1.41028304      2.31215430
  O     -0.09648901     -1.09801060      2.51425163
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  H      0.09300356     -1.44164799      3.40351645
          69
 Energy    -250.19324162495613     
  O     -0.59320223      0.48416570      2.00065031
  H     -1.23710325     -0.08443036      2.45860388
  H     -2.84146459      5.13549145      6.24781508
  O      1.29652877     -0.84009948      5.69224327
  H     -1.11843282      1.13413878      1.51921478
  H     -2.14144962      2.65932048      6.21070439
  O     -4.80619924     -2.31386453      2.69203291
  H      2.12395836     -1.02444460      6.12852048
  H     -1.15475124      1.63734470      5.60736159
  O     -2.46589731      2.11420697      0.77525384
  H      1.20313211     -1.49402776      4.97596572
  H     -3.14278816      4.62769414      2.65092648
  O     -3.10380770     -0.19900794     -0.63922425
  H     -4.01443388     -1.76280838      2.78608175
  H     -4.26056859      3.63457825      3.01989672
  O      0.68853691     -1.70021267      1.00563557
  H     -4.47206895     -3.17026513      2.40245274
  H     -0.38193605     -0.96958086      6.58418474
  O      0.89694883     -2.62058278      3.71105986
  H     -3.21798545      2.03649451      1.38362163
  H     -1.55556847     -0.02179351      6.88583595
  O     -1.67858808     -3.53652745      4.17494633
  H     -2.11475389      3.00604898      0.88850788
  H     -0.94786103      4.35248339      4.61314700
  O     -3.12071509     -4.45322470      1.92393758
  H     -2.83937858      0.63453926     -0.21799964
  H      0.06082898      3.29498564      4.12683993
  O     -4.64544470      1.90743806      2.46807852
  H     -3.20138360     -0.00951923     -1.57035744
  H     -2.91065565     -0.42335800      3.95172077
  O     -1.51744236      4.62414388      1.55367533
  H      1.41728936     -1.49393654      0.42571087
  H     -2.12040491     -1.77503804      3.74296714
  O     -2.53500990      4.41017623      5.71031346
  H      0.31626185     -0.85172925      1.30392310
  H     -5.49028154     -0.99611398      1.51356605
  O     -1.88779652      1.72784896      6.23400376
  H      0.04954733     -3.05684824      3.88042995
  H     -4.80644420     -0.29995270      0.32739390
  O     -3.81656924      4.44171247      3.31486123
  H      0.90496903     -2.39797367      2.77355199
  H     -2.31730645     -2.32340004      6.80912002
  O     -1.27730165     -0.94422065      6.94315730
  H     -2.14453028     -3.56607411      5.02066616
  H     -2.94179193     -3.57113176      7.47953090
  O     -0.28639229      4.17556433      3.93283580
  H     -2.21370598     -3.97492219      3.50099713
  H     -4.44173335     -2.28015739      5.91247081
  O     -2.41817646     -0.96156887      3.31686137
  H     -3.20872183     -5.28744458      1.47164726
  H     -5.18541374     -2.05233968      4.57503909
  O     -5.54161233     -0.21593541      0.94553425
  H     -2.69052221     -3.83881959      1.30037974
  H     -1.00043444     -2.42142833      0.48070379
  O     -2.88302378     -3.10194814      6.65157863
  H     -5.11811949      1.24992569      1.93890125
  H     -2.34037385     -1.84527879     -0.01939772
  O     -5.12287513     -1.74391848      5.48882205
  H     -4.48159615      1.50346615      3.33323715
  H      0.02923701      1.14553133      3.57760090
  O     -1.91598742     -2.65584759      0.28719568
  H     -1.00759571      4.47053038      2.36959864
  H      0.74084625      0.74590673      4.89527207
  O      0.27627004      1.46865212      4.45555223
  H     -1.16646277      5.41637491      1.15617851
  H     -3.39176079      1.03075006      5.46419863
  O     -4.04555054      0.67973917      4.84713270
  H     -3.07105791      4.41940005      4.89684887
  H     -4.50578860     -0.07681913      5.23997256
          69
 Energy    -250.19322130435364     
  O     11.83206602      9.73550156    -12.22781376
  H     12.49170613      9.27656675    -11.69022937
  H     16.44851266      7.53947405    -15.73896292
  O     16.91828397      8.18768761    -14.11617004
  H     11.93139259     10.67365916    -12.02389177
  H     18.96429815     10.34644827    -14.84017729
  O     17.69267376     11.51112024    -11.81361687
  H     17.74177548      8.55416785    -13.77676735
  H     18.20563566     10.46084529    -16.19250528
  O     15.43543679     13.68952465    -15.15206120
  H     16.29477554      8.92665934    -14.20083994
  H     12.56647655     12.59915289    -15.04531620
  O     13.51344959      6.59640153    -15.20899407
  H     17.83884639     12.19070796    -12.48333476
  H     13.75060729     13.45646814    -14.54961338
  O     15.91094769      8.23422135     -8.87654329
  H     16.73184706     11.42716073    -11.71995321
  H     14.16300153      9.74571525    -14.38710712
  O     15.07400006      6.68880008    -12.79208490
  H     16.28784909     13.59135128    -14.71294145
  H     15.01042273     10.62960131    -13.42485814
  O     14.96872150     11.15034537    -11.67329307
  H     15.42782826     13.02312114    -15.85158104
  H     20.12029591      7.03384400    -10.77073137
  O     17.14674871      9.61995363    -17.62499519
  H     12.83028327      5.98953459    -15.48349890
  H     18.59344445      7.10099404    -11.00252661
  O     17.02169104      6.35224450    -10.73737633
  H     13.08417458      7.46128140    -15.09254460
  H     18.26610518     12.42491235    -14.65481049
  O     15.13836099     11.35414412    -16.72545051
  H     15.84762766      8.21502943     -7.92559121
  H     18.71704529     13.83338818    -14.20485804
  O     15.97289156      7.39801544    -16.57204997
  H     16.64948854      8.82979100     -9.09790956
  H     18.65750618     10.18774713    -12.64673044
  O     18.67763049     10.96704295    -15.52295461
  H     15.80572193      7.17821212    -13.20229604
  H     19.38693016      8.83123405    -12.46628262
  O     12.85439650     13.16473032    -14.32230480
  H     14.48081206      6.47077027    -13.51873747
  H     17.99186258     10.44075957    -10.27739575
  O     15.02842563     10.15879623    -14.26708590
  H     14.18446626     11.71050717    -11.61628037
  H     18.64137554      9.06049128    -10.04742087
  O     19.41955127      7.61347410    -11.05734863
  H     14.70284068     10.26285608    -11.39143302
  H     11.93479209     11.58521028    -17.31821054
  O     18.04290295     13.17166361    -14.07015197
  H     16.70307090      8.80630113    -17.32727181
  H     13.34738962     11.34943884    -16.73440712
  O     19.13068937      9.48962149    -13.12453550
  H     17.59796223      9.40226920    -18.43652196
  H     14.61516350      8.45630359    -10.17440953
  O     18.05409590      9.71298344     -9.64589986
  H     16.34832773      6.26313825    -11.42284092
  H     14.39152910      7.91749895    -11.61294017
  O     12.39734482     11.31912454    -16.52753378
  H     16.60793184      6.85837825    -10.02675599
  H     12.07805028     13.17843223    -11.28366406
  O     14.10846396      8.59649990    -10.98444323
  H     15.80507199     10.86056390    -17.21557176
  H     12.59327313     12.77309590    -12.68716481
  O     12.51095126     12.47689212    -11.76126158
  H     15.16619415     10.99613494    -15.82207222
  H     12.12887791      9.31881655    -13.91006931
  O     12.48364099      9.09591544    -14.78598212
  H     15.10893353      7.06990079    -16.30325178
  H     12.29021017      9.81894327    -15.39474447
          69
 Energy    -250.19311842307272     
  O     11.38907516     10.65371554    -10.97816024
  H     11.98188280     11.02424960    -11.64283457
  H     15.52340474      7.14156420    -17.28600102
  O     13.39616129      7.17982877    -14.63430005
  H     10.72688641     10.14463855    -11.46331896
  H     14.64900931     12.90501371    -15.92545709
  O     17.78976161     11.11069850    -12.48762719
  H     13.40137262      7.05974279    -15.59150986
  H     15.40842018     11.65012203    -15.43845587
  O     18.33470567      8.91977901    -16.44084564
  H     14.18617230      7.70698637    -14.43224131
  H     15.57166556      9.00387765    -13.15902450
  O     11.58576576      9.26223989    -14.38242413
  H     16.92001437     10.85245634    -12.13480700
  H     16.07729973      9.23996336    -14.58987995
  O     17.08748561      7.02366853    -10.81967649
  H     18.10135571     11.83553208    -11.95154409
  H     11.89751413      9.58551290     -9.68737850
  O     13.52676474      6.10389866    -12.08699055
  H     17.70863415      8.29822038    -16.84142220
  H     11.87365187      9.17993256     -8.19285618
  O     15.32508071     10.21740223    -11.76048274
  H     18.89038968      8.39042648    -15.85729316
  H     19.44710639      7.67869668    -13.69590484
  O     16.00815205      4.78477029    -12.32191100
  H     12.13958205      8.46878172    -14.42036300
  H     20.52938591      6.90680037    -14.49132744
  O     16.92877260     10.83045826    -15.17360748
  H     10.85115844      9.07301634    -13.78667174
  H     11.86951488      6.51417538    -11.28471505
  O     13.64631085      7.46670097    -17.41058453
  H     16.81362379      6.19981613    -11.23845572
  H     11.41582749      7.47378302    -10.16122674
  O     16.46727312      6.98976056    -17.16088254
  H     16.27816103      7.40620948    -10.45946624
  H     16.58382589      7.02386727    -14.24066508
  O     14.52675621     12.05554990    -15.50876423
  H     14.30321624      5.53007988    -12.10113425
  H     17.96254425      6.37929245    -14.50037653
  O     15.66333879      8.58038246    -14.02055467
  H     13.39493075      6.39937192    -12.99932095
  H     18.63041430      9.38953697    -12.31300157
  O     12.14580925      8.88507742     -9.05736144
  H     15.03382098      9.51947301    -11.15806580
  H     18.33602895      7.98910777    -11.71198166
  O     19.62422451      7.20171982    -14.52848926
  H     14.54274982     10.59782466    -12.18436641
  H     12.30155934      9.84019149    -16.02527958
  O     11.09432977      6.94644002    -10.90316081
  H     16.29788167      3.87627142    -12.31060788
  H     13.49239212     10.72156074    -16.43617722
  O     17.01907826      6.17974134    -14.43514705
  H     16.37526325      5.18752223    -13.12827202
  H     14.14281270      7.39305988    -10.92633173
  O     18.95368028      8.48386627    -12.27113272
  H     17.50354014     10.24992342    -15.69860125
  H     13.75665518      8.31869474     -9.74220029
  O     12.92447340     10.00710455    -16.74595283
  H     17.35431466     10.99121468    -14.32213373
  H     13.59851025     11.64297530    -13.90436058
  O     14.49239327      8.04767263    -10.30480742
  H     13.18480068      7.20267732    -18.20225517
  H     12.60234176     10.51725215    -13.57123170
  O     13.15441389     11.20429231    -13.16847696
  H     13.43232810      8.40508881    -17.26221066
  H      8.78435614      8.59887251    -12.32897738
  O      9.72189387      8.76624259    -12.36724237
  H     16.55829506      6.51678152    -16.32490733
  H     10.15840131      8.04977908    -11.87176577
          69
 Energy    -250.19288090556557     
  O     12.32495170      9.90685527    -11.24940892
  H     12.58435838      9.32824856    -11.97758501
  H     14.56193723     14.76405789     -8.77706637
  O     11.72376559     12.18126364    -12.77832931
  H     12.01394358     10.72083521    -11.66398730
  H     11.16962830     13.23922716     -9.79232672
  O     13.60143826     10.67023924     -8.93438439
  H     11.34924955     12.71789608    -12.06542615
  H      9.81656348     13.02612294    -10.51212781
  O     14.52233501      6.99570964    -10.26841212
  H     12.67779732     12.33501948    -12.80718183
  H     10.15799346      7.95972572     -6.91683195
  O     14.67689095     15.18243792    -12.40178333
  H     13.16953211     10.38758934     -9.75462763
  H     10.40225574      9.24270466     -7.74355076
  O      8.80549995      9.77765886    -11.96082438
  H     13.67497579      9.87526697     -8.38881234
  H     10.65777747     11.60841008     -7.93136888
  O     14.49972210     12.43428522    -12.76807210
  H     13.75204803      6.76567492    -10.81573826
  H      9.39333446     11.19173279     -8.70625363
  O     15.81976528     14.28233092     -9.89037147
  H     15.01539233      6.18775741    -10.14209766
  H     13.79887947      7.71916268     -8.62946985
  O     10.40666770      8.05405223    -10.45601394
  H     14.88132847     15.97750013    -12.88612975
  H     12.54515493      8.09672217     -7.78802892
  O     12.53146570     15.58652784    -10.79329565
  H     13.87214622     15.36718082    -11.88406260
  H     15.03032551     11.30749811     -9.79444934
  O     16.05531040      9.06471478    -11.57737122
  H      9.28749065      9.85967267    -12.79048700
  H     16.02256566     10.69899720    -10.79957002
  O     13.78137418     15.05530938     -8.27216720
  H      9.22930310      9.06141733    -11.46688764
  H     13.44360366      9.02030496    -13.98833011
  O     10.67314158     13.46362271    -10.59420397
  H     14.61123219     13.39357475    -12.78109878
  H     11.88606000      9.05012336    -14.02307062
  O     10.61957816      8.29490637     -7.68098853
  H     14.88924642     12.12013471    -11.93777637
  H     10.88380379     11.03876584    -13.82521718
  O      9.98328361     10.92019389     -7.99369195
  H     15.60713434     14.64395219    -10.75837192
  H     10.10318555     10.61560276    -15.09360925
  O     13.50543718      8.18427230     -7.83543682
  H     15.94211303     13.33145104    -10.02017442
  H      7.48504498     12.00823924    -10.17181273
  O     15.71380886     11.54241346    -10.43899342
  H     11.05826153      8.74472345    -10.65427079
  H      8.52176286     11.10492183    -10.87934582
  O     12.64871482      8.54731914    -13.70834233
  H     10.37586169      7.99477764     -9.49330829
  H     15.61541646     10.17677677    -14.80655938
  O     10.47533935     10.28173667    -14.28108891
  H     12.88291616     15.54029938     -9.89472116
  H     14.81435716     10.93829493    -13.72824216
  O      8.42003664     11.83460294    -10.24281946
  H     11.77224012     14.99040099    -10.80876162
  H     12.43157860      7.04518313    -12.61447289
  O     14.95638959     10.06355602    -14.12551541
  H     15.52849629      8.37773147    -11.14936183
  H     11.56046290      6.84981644    -11.35524444
  O     12.33900948      6.50865152    -11.81542916
  H     15.69328411      9.18874668    -12.46060924
  H     12.65744574     12.06789968     -8.45597431
  O     12.06587146     12.81886895     -8.28895119
  H     14.10056161     15.62057627     -7.57398236
  H     12.62628695     13.58936336     -8.14092977
          69
 Energy    -250.19240967823043     
  O     17.74353933      9.81179097    -10.70317974
  H     18.46992437      9.16904680    -10.69673985
  H     15.25505848      9.42408624     -6.44367249
  O     13.82297754      6.10628607     -7.72491647
  H     17.79188675     10.34516892     -9.89953931
  H     18.58995102      4.68741936    -12.06908613
  O     17.61294504     11.13254145     -8.19554027
  H     13.06061298      6.50006389     -8.16752003
  H     19.18170568      3.64698311    -13.04618221
  O     11.79101397      7.50421376     -9.12106625
  H     14.34908423      5.70022852     -8.42477410
  H     15.12962748      5.67346070    -10.88809535
  O     15.97161032      9.10503911    -12.70266216
  H     17.67601150     12.06457046     -8.00168281
  H     15.71926624      6.42485563     -9.69149285
  O     19.51115598      7.70709359    -10.72369358
  H     16.82184357     10.80858816     -7.72943841
  H     19.47434492      6.23061197    -13.42642554
  O     21.18204871      7.68124012     -8.48511140
  H     10.84926699      7.46808953     -8.97755652
  H     19.73143110      7.47946030    -12.56942376
  O     18.20832044      5.20232442    -10.42497133
  H     11.93067285      7.44655829    -10.08365442
  H     17.80208827      8.53965650    -15.67905112
  O     12.33098053      7.59564381    -11.76633892
  H     16.46148507      8.85939786    -13.49813702
  H     18.32944392      7.88371794    -14.38031488
  O     13.59485087     10.18152886    -11.89081425
  H     16.61747431      9.41973704    -12.05387472
  H     15.29833596      8.54516901     -9.13005997
  O     13.72584482      9.56284954     -9.12716228
  H     20.17983789      7.71332339    -10.02700143
  H     16.69493949      8.63284782     -9.79792165
  O     15.33956017     10.23896284     -6.95249841
  H     19.00709603      6.88759729    -10.62174049
  H     18.75382954      8.51684754     -6.90663656
  O     18.78331947      4.51255964    -13.00627676
  H     20.62151724      8.28303379     -7.96141398
  H     18.90916868      9.94285115     -7.45340594
  O     15.47210882      5.53537861     -9.99473771
  H     22.08341023      7.84072024     -8.22060538
  H     14.52502825      7.05841568     -6.42258370
  O     19.63427996      7.18173599    -13.48331269
  H     17.25424034      5.20026539    -10.27254333
  H     14.52863786      7.37848694     -4.91114257
  O     17.52378422      8.18394319    -14.83942599
  H     18.64208629      5.13750429     -9.56079970
  H     15.24568666      6.01287631    -13.21490283
  O     16.12770298      8.06827051     -9.26091457
  H     12.59773240      8.51068323    -11.91447910
  H     15.19069210      7.35892779    -12.46849024
  O     19.41354506      9.19219651     -7.12135823
  H     13.06895049      7.06098213    -12.09148886
  H     20.11408162      6.08525469     -8.07235567
  O     14.93802415      7.61596778     -5.73881028
  H     14.43610636      9.84697476    -12.24617014
  H     18.69046169      5.96128844     -7.50387380
  O     14.77449189      6.48880597    -12.51659087
  H     13.37989310     10.96674878    -12.38762415
  H     17.04293977      7.52972674     -7.78440638
  O     19.37788793      5.47002771     -7.97567036
  H     13.01666925      8.91600638     -9.01854962
  H     16.70393461      7.26119541     -6.31811141
  O     17.43347106      7.23765739     -6.94705443
  H     13.67307892      9.88070781    -10.03723670
  H     17.23969485      5.07597939    -13.99266234
  O     16.48632759      5.50141651    -14.42125568
  H     14.67185029     10.17238208     -7.64957891
  H     16.80348897      6.36533341    -14.71145822
          69
 Energy    -250.19185210616490     
  O      0.84182248      2.65127114      2.50915597
  H      0.15687524      3.00113550      3.09288239
  H      0.91546148     -2.59259925      1.53644844
  O      0.43650305      2.79184714     -0.18292998
  H      1.27872496      1.94897879      3.00374167
  H     -0.02470033     -3.51762658      3.36054191
  O     -0.56961288     -0.63392482      4.60636445
  H      0.59597908      2.73771086      0.77587367
  H     -0.51424921     -2.49591985      4.42376127
  O      1.63610842     -4.40602609     -0.94689127
  H      0.83218739      3.60806964     -0.47831953
  H     -5.52063218      0.94840580      3.94877668
  O     -1.29869457     -2.61559493     -3.43630183
  H     -1.15638137     -0.06570504      5.12441943
  H     -4.56811815     -0.14564626      3.42089518
  O      1.39203050     -2.19669019     -2.51143349
  H     -0.89322847     -0.55842917      3.69543247
  H     -2.67663763     -1.23603281     -0.40057919
  O     -2.83540555      2.26563455      2.12407392
  H      2.38988474     -4.92098098     -1.22210346
  H     -2.69979676     -2.53870345      0.46094654
  O     -3.11243409     -4.16052488      3.52279465
  H      1.63009676     -3.60179344     -1.49679167
  H     -1.57666014     -4.61836016     -0.83399883
  O     -1.72798929     -0.43480881     -1.72080653
  H     -1.31667946     -3.38497428     -2.83891693
  H     -0.18825346     -4.75501302     -1.47699075
  O      0.94748734      0.15417647     -1.03018724
  H     -1.64723955     -2.90892059     -4.27362894
  H     -1.73657026      0.72932625      2.03997144
  O     -4.46282310     -1.74261200      2.78599081
  H      0.54843848     -2.29458836     -2.97001580
  H     -1.97217432     -0.70806265      1.50087648
  O      0.66209460     -3.52649287      1.54846158
  H      1.36573128     -1.32665927     -2.09190517
  H      1.06167952      0.03722707      4.31024887
  O     -0.58253204     -3.41779135      4.14182514
  H     -2.85617051      2.23348261      1.15596492
  H      2.53564393      0.33752925      4.67118308
  O     -4.61262390      0.78388068      3.70828996
  H     -3.57578233      1.77263938      2.50078696
  H      0.30167564     -0.53910620      1.62658757
  O     -3.05204018     -1.63971534      0.39285308
  H     -2.22216055     -3.90793392      3.82776171
  H      1.69296088     -0.45364173      2.28962705
  O     -1.12774632     -4.68501447     -1.68717957
  H     -3.40507322     -4.87039874      4.08799437
  H     -1.67733629      4.40306440      4.17604905
  O     -1.36232579     -0.15832444      2.00953576
  H     -1.68408258     -1.11763097     -2.40191421
  H     -1.94060972      3.14452445      3.31309594
  O      1.89417825      0.40777574      3.96938205
  H     -0.81307208     -0.25013658     -1.46567206
  H     -2.00567057      2.04136010      5.16301977
  O      1.22841896     -0.81676833      1.52755021
  H      0.85631420      1.10132910     -0.86936511
  H     -3.17333762      1.05346641      4.99624636
  O     -1.38839858      3.50553443      4.03126918
  H      1.17315449     -0.23423174     -0.17219045
  H     -2.46276736     -4.29618069      1.74847346
  O     -2.37659447      1.22270097      5.51474195
  H     -4.14581424     -1.68176194      1.87391614
  H     -1.07584497     -3.92771718      1.16082953
  O     -1.99084654     -4.13962548      0.92188534
  H     -4.08011129     -2.55363975      3.13966409
  H     -2.29496697      1.28222256     -1.04470310
  O     -2.33417046      2.10586258     -0.54404684
  H      1.07420188     -3.92322991      0.77044543
  H     -1.42104907      2.41575508     -0.48050899
          69
 Energy    -250.19180431756809     
  O     12.40735391     12.66274912    -14.01543800
  H     13.15092296     12.51247908    -14.62436086
  H     12.32624210      9.32927226    -16.29345395
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  H     12.06523796     13.53252663    -14.20577266
  H     16.14547963      9.34486964    -14.86726261
  O     16.01899192     11.08091150    -12.20812535
  H     18.67221280      9.28524522    -14.33061472
  H     14.78395645      8.91489498    -14.22198642
  O     11.41256111     10.06880783    -14.88593699
  H     18.91095286     10.49941490    -13.40607847
  H     13.83766834     10.09764780    -17.85688879
  O     13.68341238      7.56789567    -13.63782565
  H     15.80641314     10.54348198    -12.98833110
  H     13.86789456     11.09196552    -19.04206900
  O     14.73166070      6.71692312    -11.22666375
  H     16.79179293     11.60478826    -12.44661792
  H     13.61449219     10.41485564     -9.98843422
  O     18.65047094      7.72973448    -11.56666098
  H     11.32365134      9.63583324    -14.02784962
  H     14.76660893      9.47949150     -9.56069626
  O     14.43982115     11.93720193    -15.68612707
  H     11.62326593     10.98517579    -14.67427853
  H     17.52759980      9.31497941    -16.59227163
  O     16.33118602      8.90210865    -10.50665441
  H     14.13815327      7.18535244    -12.87602271
  H     17.33243386      7.93563631    -15.85455249
  O     17.12852596     10.55146218    -17.96375539
  H     12.95354354      8.08747462    -13.27659405
  H     16.23954159     12.51270843    -15.71490430
  O     16.85049433      5.96931373    -12.97646379
  H     13.90312448      6.80400866    -10.74123932
  H     17.37234591     11.91905950    -16.55100782
  O     12.87825183      8.99964668    -17.01750267
  H     15.28435990      7.46564476    -10.95597299
  H     18.83943833     13.06768617    -13.15352133
  O     15.34560260      9.67000925    -14.43268759
  H     19.48793829      7.42714505    -11.22620300
  H     17.94921962     12.42104489    -14.24020048
  O     14.36465362     10.80168028    -18.28211069
  H     18.84927420      8.39148217    -12.25410126
  H     14.26912594     11.34434327    -11.81689763
  O     13.85492898      9.72645111     -9.35539390
  H     14.69996691     11.11548792    -15.23732881
  H     12.93771315     11.90149984    -12.36400575
  O     17.64145465      8.85161868    -15.75600128
  H     14.31492893     11.70351901    -16.61318174
  H     16.65602555      6.14969580    -14.78443690
  O     17.20028594     12.52078880    -15.81858325
  H     17.17539793      8.48633210    -10.72508786
  H     15.63392916      6.31139959    -15.94307479
  O     18.28681844     12.31195343    -13.33352051
  H     16.27098852      9.68746053    -11.06934867
  H     12.30607738      9.84438980    -12.03674476
  O     13.31229992     11.35038125    -11.66582243
  H     17.54448092     10.52321934    -18.82236273
  H     11.79189272      8.49264198    -11.48501999
  O     16.56801869      6.38396584    -15.72148142
  H     16.17198905     10.60036636    -18.11902797
  H     12.83944815      8.32798815     -9.60449678
  O     11.79472291      9.05494140    -12.26887097
  H     17.53880013      6.50115625    -12.55879130
  H     11.82897232      7.24041419     -9.16440758
  O     12.33229770      7.55354700     -9.91088011
  H     16.11666158      5.98017768    -12.35101128
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  O     13.69728178      6.42224154    -16.09730264
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  H     13.17442692      5.62448948    -16.12601788
          69
 Energy    -250.19128456007141     
  O     12.71425915     12.87737954    -14.19288856
  H     11.87702823     13.33276384    -14.24858270
  H     16.68773397     10.77458022    -14.82380553
  O     17.80001029      7.36696383    -13.96990939
  H     12.64929877     12.10703991    -14.78138247
  H     14.54855848      8.73914371    -18.54628754
  O     18.76851097     11.90439225    -12.19662314
  H     17.19125113      6.63429951    -13.81519531
  H     15.37357257      8.85503667    -19.84967750
  O     17.07488995     14.41165595    -14.25829096
  H     17.68526836      7.60933319    -14.89536408
  H     15.30019262     11.08611800    -12.84676128
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  H     18.52755532     10.98038396    -12.04367281
  H     16.44786074     10.01683892    -12.83289011
  O     16.25573540      8.42661847     -9.80856155
  H     18.03361667     12.44621481    -11.88746220
  H     13.60053944     10.91951229    -16.37008521
  O     14.79390130      6.50354234    -11.32087476
  H     17.82354073     13.89812587    -14.58087867
  H     13.07020983     10.01872205    -15.20542786
  O     14.30552225     12.26746827    -11.91504472
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  H     17.38937603      8.90680653    -11.19382433
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  H     15.41046350      5.74350846    -12.74843357
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  O     17.20407588     10.86052776    -15.63987936
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  H     16.82462085     14.54689866    -11.13855901
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  H     16.75889168     14.08258400    -12.61436209
  O     15.75129577     10.41465620    -13.37328564
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  H     19.15120452     12.32265556    -13.83993202
  O     12.80793749     10.67468412    -15.86846192
  H     15.03135933     12.89723796    -11.79650513
  H     20.14737849     12.72774475    -14.95473483
  O     17.82361293      9.26958129    -11.97595506
  H     13.74105861     12.57554068    -12.63519013
  H     15.87524470     11.28966564    -16.74353813
  O     12.49849938      8.18189614    -11.63623794
  H     13.52327888      7.66420881    -16.94349203
  H     15.19359753     10.74686691    -18.01254898
  O     16.60282469     13.80310924    -11.69246764
  H     12.79039979      9.01977060    -17.08919179
  H     14.11924765     10.86066016    -10.70295959
  O     19.22381051     12.57140894    -14.77987825
  H     17.10816640      9.17836828    -16.25424103
  H     13.45430157      9.46674496    -10.61151075
  O     15.09937407     11.40409070    -17.31439594
  H     16.56048994      8.44391878    -17.48605700
  H     14.13913439     13.62936633    -15.28645232
  O     14.11656673     10.03611967    -10.19990769
  H     14.99953457      6.22978243    -15.02375470
  H     14.92799431     13.14155525    -16.51272615
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  H     14.43660558      9.33335106    -13.75727026
          69
 Energy    -250.19104858863730     
  O     20.86636122      8.81404096    -12.27133596
  H     21.09490053      8.00505376    -12.74410237
  H     16.39918858      8.66609397    -10.30880137
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  O     17.87654957      5.68810431    -11.30053119
  H     22.37794842      5.86401593    -13.41517604
  H     17.95558972      8.27980165    -13.45720218
  O     13.62731012      8.49515966     -8.79405007
  H     21.23230680      5.89929099    -12.37695467
  H     15.11524569      8.44960484    -15.07251402
  O     16.29437982     10.90338416    -12.65232648
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  H     15.14369865      6.92668738    -15.47757887
  O     12.66272537      6.30770408    -10.07909196
  H     17.11352499      5.10605069    -11.39444966
  H     19.66310229      5.48030827    -10.92291690
  O     15.48486225      4.43856342    -11.87838479
  H     12.97265071      8.94444897     -8.26681917
  H     20.65634959      6.43246820    -10.23765373
  O     16.62859183      4.14193211    -14.53995123
  H     13.17725285      7.74375492     -9.22124180
  H     18.57870696     10.10225173    -17.19625338
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  H     18.15099598      8.73666380    -16.61223811
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  H     14.94864381      7.22355905     -8.14925884
  O     18.07533664      7.02055941    -16.87575724
  H     13.11765015      5.51979914     -9.75849208
  H     16.43189601      6.92429849     -8.40860730
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  H     18.55501199      6.24186346    -14.27270089
  O     15.04930849      7.54242747    -14.74149148
  H     15.07775094      5.29946308    -12.05954416
  H     21.13332344      8.75477463     -9.12593342
  O     20.60751030      5.62800613    -10.76711985
  H     16.27947937      4.11810621    -13.64145360
  H     20.62183657      8.55217382    -10.57163414
  O     18.18452706      9.69307389    -16.43050946
  H     17.55299236      4.41729764    -14.48928229
  H     14.82811169      7.65426689    -11.73058996
  O     15.61605506      6.53132451     -8.07242323
  H     15.94660445      4.98197178    -15.90189488
  H     14.41842356      7.16182857    -13.14160034
  O     19.11552936      5.57801953    -14.70435691
  H     15.12749830      5.01108677    -17.21568376
  H     16.42921870     10.09099301    -15.80089236
  O     20.47224562      8.30140237     -9.64173468
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  H     15.74677374     10.48598503    -14.47052228
  O     14.33328575      6.96918832    -12.19713485
  H     18.62286079      9.92649950    -14.65627616
  H     14.98084822      5.03779342     -8.77591101
  O     15.57257265     10.14964223    -15.35826852
  H     17.23042739      6.56259118    -16.95798713
  H     14.46393025      3.59907687     -8.55352139
  O     14.53853436      4.28670207     -9.21002038
  H     18.59534870      6.48074386    -16.26519763
  H     17.75268333      6.95927115    -10.07887249
  O     17.72731755      7.73670488     -9.49919295
  H     14.90806900      9.01520868    -10.05709994
  H     18.64062164      8.03556041     -9.42043428
          69
 Energy    -250.19102215674775     
  O     -7.31590103     -2.25631941      6.10505287
  H     -6.38318297     -2.02398619      6.05445725
  H     -8.15025520      0.38938807      4.17697507
  O    -10.16806349     -1.41253769      2.66030062
  H     -7.76790107     -1.50664475      6.52140663
  H     -4.36563424     -1.44233453      4.89049080
  O     -8.64291092     -3.40012339      4.07616951
  H     -9.68733786     -1.29368365      1.83495302
  H     -3.84671649     -1.85628836      6.28848520
  O     -6.79492332      1.11847304      0.06033548
  H     -9.73742473     -2.14642891      3.11986634
  H     -2.61169298      3.08945121      0.48602510
  O     -5.35392123      1.25032216      5.61586085
  H     -8.20134632     -3.01064064      4.85466616
  H     -1.79102653      2.32031175     -0.57894987
  O     -5.26899174      5.52639746      0.70032094
  H     -8.90700359     -4.28108428      4.32501613
  H     -7.49625821      4.32394096      4.57472341
  O     -8.63428173     -0.02471256      7.03951258
  H     -7.31270046      0.30966922     -0.02231599
  H     -8.92674083      3.79224737      4.79316270
  O     -4.20417335     -1.45206313      3.15598905
  H     -7.28626602      1.68090276      0.67802762
  H     -9.55765272      2.90278700      2.90908570
  O     -5.26889442      3.31399177     -0.89107028
  H     -5.91371564      1.61531963      6.31297130
  H    -10.96343474      3.52374287      3.08915674
  O     -9.94706511      0.48347100      4.63700403
  H     -5.05772866      0.36694750      5.87110040
  H     -6.95698289     -1.13710743      2.92411490
  O     -4.33002316      0.78892996      1.43184302
  H     -5.36798711      6.31008184      0.16651018
  H     -7.37675685     -2.62739760      2.99414938
  O     -7.29076940      0.44111371      3.73596927
  H     -5.33358766      4.76540315      0.09570500
  H     -8.41013916     -1.98602128     -0.32705040
  O     -4.56122143     -1.40735666      5.84460384
  H     -9.24441155      0.14489454      6.30763546
  H     -7.71377797     -1.61233054      1.00183161
  O     -2.65447279      2.37970551     -0.18020654
  H     -8.20281772      0.81716190      7.22220318
  H     -7.17798114      2.98940647      8.08560765
  O     -8.11511997      4.02937765      5.25571876
  H     -4.08590572     -0.68485545      2.58185226
  H     -7.56326677      3.05362787      6.58931546
  O    -10.26019428      3.08128324      3.55744328
  H     -5.03787871     -1.84589895      2.86367952
  H     -3.22166563      3.81369757      2.48666120
  O     -6.84380739     -1.99903679      2.49000067
  H     -5.84609552      2.55820594     -0.72322458
  H     -3.58345877      4.87000604      1.42634163
  O     -8.30443642     -1.27798879      0.30440728
  H     -4.36683602      2.97643286     -0.82342966
  H     -4.56059122      2.21990338      4.32632852
  O     -7.22170449      2.46789294      7.28861258
  H    -10.21232138      1.35793631      4.32992529
  H     -4.34984980      1.99729835      2.80616178
  O     -2.86545308      4.30148237      1.73081977
  H    -10.16870437     -0.15471231      3.94171890
  H     -7.45366086      3.26202214      2.35323395
  O     -4.31859394      2.66692260      3.50422468
  H     -3.68094433      1.19807815      0.84533730
  H     -7.74097570      1.76277982      2.64114444
  O     -8.00931154      2.51520703      2.08902235
  H     -5.17986803      0.82301604      0.97297075
  H     -5.62550965      3.87943024      3.28762293
  O     -6.34808153      4.48964576      3.07318635
  H     -6.63497841      0.71274507      4.38958258
  H     -6.05374988      4.99720600      2.30683892
          69
 Energy    -250.18941814421976     
  O     11.81694946     10.92053466    -14.53921102
  H     11.50897514     10.48478171    -13.73522634
  H     15.32749721      6.17742131    -15.47302932
  O     15.90494561      6.72567365    -13.74819030
  H     12.44062262     11.60753977    -14.27501635
  H     18.76152457      7.61036867    -14.45007578
  O     16.88397581      9.91724731    -10.65369351
  H     15.58719083      7.60126736    -14.02381138
  H     18.75804720      8.41046352    -13.14395106
  O     17.62866414     10.52934138    -15.05015198
  H     16.85220451      6.83504280    -13.60941666
  H     16.41910511     11.78472112    -15.70694735
  O     12.19443934      6.69260549    -16.02615706
  H     16.20159029     10.30631253    -11.21974707
  H     15.34274310     11.70321327    -16.79917632
  O     15.24100910      8.79400759     -8.74170656
  H     16.42484463      9.61878583     -9.85554338
  H     15.96000750      9.67103795    -14.82170182
  O     14.09159448      6.60622700    -11.66125767
  H     18.10643592      9.84679344    -15.53917870
  H     14.47833907      9.26733376    -15.15171193
  O     14.82815768     10.80676862    -12.28431437
  H     18.02949897     10.56243686    -14.17256299
  H     10.17780721      9.53183928    -11.72396011
  O     16.56346744      8.12404234    -17.57813760
  H     12.05644330      6.72701840    -15.06221904
  H     11.71059422      9.35660079    -11.62645770
  O     15.71909621      6.02489472     -9.43613811
  H     11.49267973      6.15683250    -16.38543417
  H     17.47220819      8.10003041    -10.75923152
  O     18.85232850      8.26895276    -16.22428954
  H     14.43190116      8.96569464     -9.24078545
  H     18.16931249      7.06828207    -11.66054430
  O     14.99256242      6.19580799    -16.37904508
  H     15.37088036      7.83887374     -8.78735860
  H     12.56327369      6.68675290    -12.74888430
  O     18.62893959      7.52022731    -13.49731787
  H     14.75014667      6.58338598    -12.37154750
  H     11.46382353      7.73615847    -13.03279372
  O     15.60902044     12.20840044    -16.02152900
  H     14.53377113      6.27693598    -10.86963290
  H     19.64286824     10.59081549    -12.15606915
  O     15.16848413      9.23643711    -14.47808197
  H     14.91726146     10.18200879    -13.02156993
  H     18.20216721     10.17615301    -11.78467671
  O     10.96736081      9.42699939    -12.24920473
  H     14.53116772     11.63108362    -12.68532537
  H     14.11728872     10.00829263    -17.53863785
  O     17.76134983      7.17851016    -10.79501651
  H     16.01525908      8.87676915    -17.82050436
  H     14.44970631     10.55997954    -18.94536109
  O     11.85548150      6.91981834    -13.36362497
  H     15.97550907      7.43208015    -17.23816767
  H     13.54630943      8.24733264    -11.08261072
  O     18.84378355     10.21186863    -12.51413705
  H     15.99138563      5.27178735     -8.91918889
  H     13.76682458      9.77856406    -11.25270237
  O     14.82850423     10.38475692    -18.08757065
  H     16.50835041      6.33874000     -9.91440067
  H     13.78600060     13.77727989    -13.96879996
  O     13.24444043      9.11621325    -10.77641519
  H     19.58599497      8.14877464    -16.82063210
  H     14.49962692     12.63835205    -14.73122737
  O     13.90456006     12.83135114    -13.98446555
  H     18.04060199      8.15687810    -16.75446577
  H     12.70270867      8.43394417    -16.30995442
  O     13.05825811      9.33011206    -16.34418344
  H     14.03393114      6.26467960    -16.30403798
  H     12.52773602      9.89546092    -15.76082306
          69
 Energy    -250.18902722775937     
  O     12.35811625      9.45940012    -11.03078803
  H     12.64721729      8.74366745    -11.60890740
  H     10.71807817     12.99744058     -9.00488124
  O     10.11067209      6.63242906    -12.57963742
  H     13.04990542      9.62038075    -10.37466554
  H     11.53026813      8.70144504     -7.44823054
  O     11.71801735     11.92551880    -11.92019007
  H      9.54869604      5.95043143    -12.93656677
  H     11.01109034      7.78781181     -8.57704496
  O     14.29363461     10.03821789     -9.14525165
  H      9.97409029      7.42900114    -13.12600418
  H     10.56288847     10.92465628     -7.26035236
  O     15.17878602      7.35584827    -11.17906540
  H     11.90754070     11.01732108    -11.63404149
  H     12.05463446     11.00217912     -6.91692385
  O     13.53067575     14.95929686    -10.35935332
  H     12.56647346     12.31807854    -12.16033739
  H     14.62502369      6.82482667     -7.73352396
  O      8.58490280     10.51214154    -10.23063169
  H     14.37308386      9.17015379     -8.73183372
  H     13.30209643      7.45464427     -8.22792535
  O     14.26737420     12.97415986    -12.26668863
  H     13.93996747     10.67137608     -8.50602648
  H     15.42483981     10.96955860    -10.11388269
  O     15.51361645     13.55312717     -8.75976216
  H     14.88742246      7.27927400    -10.26336987
  H     16.40875719     10.84174993    -11.28342881
  O     10.06933924      8.14964984    -10.18766021
  H     14.41045130      7.15331066    -11.73041803
  H     10.86762702      9.06204943    -14.39238493
  O     14.58190643     10.68015555    -13.95238877
  H     13.31160607     15.88629778    -10.30505322
  H      9.66664403      9.74175653    -13.68790882
  O     11.51223075     13.26937728     -9.48314754
  H     12.77344977     14.47262666     -9.99367893
  H      8.84153561     12.13559740    -13.34311479
  O     11.66856792      7.84213024     -7.87386644
  H      8.98246839      9.63221275    -10.17074263
  H     10.11946625     11.67583957    -12.60057777
  O     11.28982659     10.41408206     -6.88597425
  H      8.68099631     10.79067474    -11.14789855
  H      8.56049759     12.38640440     -7.70367537
  O     14.25064385      7.35395979     -8.43248844
  H     14.08620733     13.78569423    -11.77815530
  H      9.01330336     11.53363930     -8.91354775
  O     16.00604614     11.48845686    -10.69299135
  H     14.89114550     12.47237962    -11.71876777
  H     12.89705026      8.89455432    -15.85298046
  O      9.98316071      8.90118292    -14.03951354
  H     15.89634830     12.92735440     -9.38813084
  H     13.33788401      9.67919891    -14.59813099
  O      9.23502455     11.39304202    -12.89168025
  H     14.96746153     14.14893773     -9.28657560
  H     17.38995490      8.95363008    -12.74275105
  O      9.32973329     12.11068422     -8.19476333
  H     10.85866119      8.66927485    -10.40907380
  H     16.10901997      8.62340423    -11.94429040
  O     12.68790556      9.03603255    -14.93310263
  H      9.96521256      7.51510102    -10.90580507
  H     12.86546163      7.77761167    -13.56457711
  O     16.57740642      9.33318868    -12.41878065
  H     15.28606851     10.22229160    -13.47535030
  H     11.98397081      6.88739024    -12.65103570
  O     12.86656672      7.26845022    -12.74284398
  H     14.48800726     11.54502055    -13.53740504
  H     12.71389684     12.54127340     -8.24639825
  O     13.37824362     12.16972915     -7.64977551
  H     11.51782407     12.77286899    -10.31404660
  H     14.19243705     12.66123804     -7.83018849
          69
 Energy    -250.18882268706156     
  O     15.26082219     11.80881439    -12.63076713
  H     15.90977543     11.53439473    -11.97088225
  H     15.74364895      6.54467531    -14.55641030
  O     15.96742616     10.07182863     -6.89444429
  H     14.50964482     12.14259090    -12.12766144
  H     11.22619871      9.64161597    -11.68972104
  O     16.72093392      6.24150174    -10.25394351
  H     16.83526458     10.23978491     -7.28274274
  H     12.67707801      9.66728501    -12.21302491
  O     13.33251011      4.93544829    -10.68565894
  H     15.32295896     10.43775791     -7.51385973
  H     15.91450134      8.95688150    -14.88794409
  O     18.17505341      7.47615667     -8.18974352
  H     16.51971656      5.54771786    -10.89471801
  H     16.74114069      8.31366933    -13.76412637
  O     15.95540106      7.40885558     -6.35591349
  H     15.95775319      6.28958923     -9.66063379
  H     18.44108818      9.19620065     -8.31012060
  O     16.71209935     10.78417163    -10.41149277
  H     14.10670649      4.67938744    -11.20263861
  H     19.34844196     10.42693811     -8.07074837
  O     12.96218543     12.40508846    -10.99198254
  H     13.67381947      5.28378596     -9.85286301
  H     14.95238276      6.61077743     -7.70438266
  O     14.26693340     10.83864835     -9.01949303
  H     17.52093314      7.33779359     -7.49370910
  H     13.95254349      7.09945609     -8.78230512
  O     13.97079782      8.38599727    -12.07523252
  H     17.84903507      6.98419976     -8.95487417
  H     12.00998440      6.51609421    -13.42117181
  O     11.07943892      5.85511007    -11.84108056
  H     15.96371519      7.26482389     -5.41350589
  H     12.41875205      7.64625014    -14.43438454
  O     15.24352270      5.74715163    -14.33043612
  H     15.89950820      8.37183586     -6.49261981
  H     11.88630083      9.81040453    -14.07648219
  O     11.86215446     10.19343538    -12.15987458
  H     15.87738086     10.78686307     -9.92202119
  H     13.09534013      9.76311017    -15.02063122
  O     16.47423911      8.19848834    -14.68729663
  H     17.41131550     10.67802859     -9.75458052
  H      9.50562356      8.20038494    -10.31126040
  O     18.46358073     10.17034181     -8.31501492
  H     12.48123635     11.67852469    -11.42477319
  H     10.58435002      7.40784314    -11.08500110
  O     14.51397904      6.35303794     -8.52465066
  H     12.40970222     13.18003707    -11.05312872
  H     15.59956842      4.85877126    -12.92895231
  O     12.69203683      6.80558402    -14.03530113
  H     13.79536849     10.00034535     -9.12755460
  H     16.08755490      3.51511008    -12.33724157
  O     12.21750339      9.38333644    -14.87511640
  H     13.80579358     11.48483291     -9.56770747
  H     14.98868607     10.99205492    -14.17489737
  O     10.39223516      8.25947603    -10.65821200
  H     13.68114388      7.77155916    -12.76020191
  H     15.11123745     11.13928893    -15.70528560
  O     15.74224499      4.37025067    -12.09677755
  H     14.93337136      8.44144978    -12.11503611
  H     12.05349435      8.38664382     -9.68784841
  O     14.81149200     10.54545206    -15.02058609
  H     11.89047252      5.52260601    -11.41277069
  H     13.41218101      8.33272637    -10.41526109
  O     13.00378879      8.41309503     -9.53629391
  H     10.54407471      5.09034908    -12.03782696
  H     16.81947095      7.70170086    -11.33499073
  O     16.73810320      8.46320872    -11.92470601
  H     14.31228138      6.00184686    -14.36676980
  H     16.82697470      9.26395251    -11.39195616
          69
 Energy    -250.18733813192389     
  O     16.20489357     12.43786455    -17.21876089
  H     16.22777665     12.60232162    -18.15759457
  H     14.73957722     14.93733874    -15.48573493
  O     15.67993236      9.09922639    -10.17351861
  H     15.94116876     13.27397561    -16.79360487
  H     12.51068092     15.84203227    -14.46173153
  O     17.26042100     16.40002956    -11.61980681
  H     15.28950359      8.47436418    -10.81172568
  H     13.64325367     15.48311545    -13.47501661
  O     14.63448047     10.63383335    -15.72617564
  H     15.87705663      8.59712967     -9.38717685
  H     19.39423654     12.80373366    -12.20527151
  O     14.64451211      7.41053844    -12.00027336
  H     17.46425912     15.75502615    -10.92292337
  H     18.51469195     11.77620901    -11.47085565
  O     15.88718271      6.81242121    -14.51674749
  H     17.66909463     17.22305495    -11.36315356
  H     14.09127175     12.00493508     -9.96745288
  O     15.82644921     12.66217738    -12.80368079
  H     14.10355268     11.23143333    -15.18099924
  H     14.35798054     10.48263445    -10.00663134
  O     12.15253589     10.63570687    -12.28070073
  H     15.12351850     11.19167198    -16.34344448
  H     17.97492104     10.72019588    -15.20286132
  O     16.83717509      9.44870864    -14.44797349
  H     15.14077176      7.12184817    -12.77454836
  H     17.70061032     11.86843072    -16.19033636
  O     19.77385901     13.20708081    -14.02494402
  H     13.75333608      7.60851645    -12.31679395
  H     13.91100259      8.91456321    -15.69761149
  O     13.40141557     12.44184511    -14.03241094
  H     15.08094047      7.16160463    -14.94149420
  H     13.05239603      8.04043363    -14.75234480
  O     15.56662627     14.72334409    -15.93240869
  H     16.09139125      5.98724585    -14.94697169
  H     18.26406953     13.74268004    -10.32189575
  O     13.24828136     15.25140159    -14.33389324
  H     16.36657970     11.90818956    -12.53402410
  H     18.20916574     14.36808526     -8.90785794
  O     19.02532239     12.58833961    -11.34093683
  H     16.40198172     13.32500010    -13.20436857
  H     17.21497346     10.03510703    -12.78887659
  O     13.65617864     11.14444863    -10.00622637
  H     12.47137645     11.29773210    -12.90602406
  H     16.79677609     10.00906388    -11.28586231
  O     18.35979822     11.52382521    -15.57568645
  H     12.59534307     10.82065616    -11.43997790
  H     15.31724948     16.18713834    -11.89426173
  O     13.66979095      8.00037940    -15.49503590
  H     16.04841551      9.87262395    -14.81703372
  H     14.42736818     15.10585126    -11.28870888
  O     17.80684435     14.40528599     -9.77136536
  H     16.67447627      8.49861840    -14.48044875
  H     12.10792018      9.02809180    -12.81601822
  O     17.32229697     10.48764197    -11.94014984
  H     19.30760896     12.56421768    -14.59150511
  H     11.27674032      7.72935580    -12.93391922
  O     14.42508196     15.82624388    -11.93274264
  H     20.64449673     13.31791416    -14.39643311
  H     15.29111836     13.24211136    -11.20136022
  O     12.13524384      8.10041999    -13.11647035
  H     13.16934263     13.35971765    -14.20880693
  H     15.93454831     13.84131755     -9.94225237
  O     15.08427745     13.59259650    -10.31958263
  H     14.25653437     12.47421566    -13.57320018
  H     17.45267936     15.36588032    -13.14980338
  O     17.43567959     14.72742459    -13.87305378
  H     16.26041413     14.82184221    -15.26494779
  H     18.30852674     14.31841604    -13.93481918
          69
 Energy    -250.18725351061207     
  O      9.67738390     12.57409463    -11.34947030
  H      8.78712488     12.90682330    -11.43600099
  H     13.54686799     13.38707397    -12.62742747
  O     13.42972845      7.38043744    -15.68433748
  H      9.97332690     12.33159185    -12.24268828
  H     16.18866281      9.09277834    -10.08708946
  O     13.82295527      8.36043489    -13.06837169
  H     13.51270348      6.55644179    -16.15588136
  H     16.90081901      9.82227602     -8.94269945
  O     12.33606862     12.88770050     -7.62663646
  H     12.47658194      7.55795345    -15.58811800
  H     14.09496119     15.79925954    -11.86727653
  O     13.83884491     10.18310795    -16.14455762
  H     12.91488827      8.65032715    -12.89319543
  H     14.72680441     14.50722234    -11.29498509
  O     11.19266952      9.20716789    -12.64003626
  H     13.80440583      7.89163359    -13.91054403
  H     14.13660086      9.47296191    -10.39802453
  O     13.85405251      8.84353077     -7.62808366
  H     13.29272713     12.82600204     -7.74473727
  H     14.30692351      8.22415596    -11.27050440
  O     13.41305524     11.10293873    -10.48682396
  H     12.02048423     13.41069186     -8.37781258
  H     18.21241145     11.37991625    -12.15768356
  O     11.40369947     10.37852465     -7.39472904
  H     13.83219658      9.21822198    -16.10278930
  H     17.21353708     10.72810499    -11.17504036
  O     16.07327425     13.64258483    -10.67364021
  H     14.40732781     10.47402161    -15.42064676
  H     10.82042660     11.55083758    -14.66348156
  O     10.75896212     10.27400462    -10.09453098
  H     11.05358583     10.07161918    -13.05160404
  H     11.68509460     12.09532202    -13.48849555
  O     13.25997132     12.51662275    -12.93210141
  H     10.99868262      9.33781277    -11.70337781
  H     14.41089060     11.88645603     -9.16393402
  O     16.98081217      9.60780809     -9.87902396
  H     13.95383285      8.55279316     -8.54494030
  H     15.42220464     11.67628362     -7.99860663
  O     13.91233372     14.88343171    -11.67681726
  H     13.01002346      9.30521630     -7.56560084
  H     14.79830094      9.90172930    -13.40576904
  O     14.44581037      8.55285046    -10.37456932
  H     13.39653349     11.61230477    -11.30525640
  H     15.96434036     10.90804633    -13.14472012
  O     17.28824133     11.34809853    -11.92279355
  H     12.49704766     10.86270171    -10.29603780
  H     11.01459946     11.16276234    -17.20262216
  O     10.79875836     11.77292246    -13.72521872
  H     11.72073863     11.30069677     -7.42582935
  H     12.16765631     10.67404134    -16.29403206
  O     14.94534872     12.34916036     -8.49899231
  H     10.91132210     10.28336504     -6.58395048
  H     15.35313812      9.65896261     -7.26213997
  O     15.19692371     10.73276298    -13.70349084
  H     16.52357443     12.92268410    -11.12911969
  H     16.53681027     10.01277308     -6.32920680
  O     11.20725464     10.83599372    -16.32793402
  H     15.78415824     13.28199642     -9.82258762
  H     12.36062365     14.46162400    -10.54349796
  O     16.17529064     10.17816931     -7.19521275
  H     10.83205506     10.26194146     -9.13093538
  H     10.99410626     13.73479250    -10.50766404
  O     11.62892217     14.21673212     -9.96592997
  H     10.28287136     11.07289869    -10.35720766
  H     10.81807063      9.04115821    -15.69974756
  O     10.86176308      8.18137793    -15.26248433
  H     14.01609491     12.01862261    -13.27320148
  H     10.81626647      8.36783876    -14.31503480
          69
 Energy    -250.18715603069870     
  O     18.35901173     10.22639129    -10.62129532
  H     19.19330159      9.74204047    -10.64338927
  H     19.88685146      5.88924282    -12.33997995
  O     13.87532002      5.77225334    -10.71262134
  H     17.72950785      9.63399256    -10.17806402
  H     16.52947996      7.14473097    -10.65309413
  O     17.87027561     11.97510868     -8.47536392
  H     13.64490790      4.85809499    -10.86104542
  H     16.43792088      6.71326968    -12.14606957
  O     16.84195336     10.13893746    -12.92206715
  H     14.83081671      5.84884704    -10.87241867
  H     20.63480180      9.01684269    -13.65592473
  O     20.51597128      8.46303730    -10.56605463
  H     18.42801351     11.58616818     -7.78890362
  H     22.18235803      9.00545745    -13.63671802
  O     20.25086643      8.41830827     -7.77526703
  H     18.09592890     11.51030630     -9.29172157
  H     17.56384252      9.92475341     -6.05935113
  O     19.17031615      5.99165345    -10.56753294
  H     17.40395806     10.23930569    -12.13861595
  H     16.11134908     10.24943239     -6.44438756
  O     13.61216069      7.89941248    -12.65618603
  H     15.95383947     10.40564830    -12.65828090
  H     18.85197535      8.60510898    -14.87533247
  O     15.33761612     11.65374962     -7.58764386
  H     20.04395049      7.61825007    -10.60480140
  H     18.37562850      9.82291463    -14.05374566
  O     14.11476795     10.48654456    -12.03660451
  H     20.95664758      8.57500354    -11.41703932
  H     15.71260968      8.94735050     -9.50337547
  O     14.14574860      9.80112710     -9.28504726
  H     19.83202838      7.55474717     -7.68666975
  H     16.67164264      8.06375813     -8.67656899
  O     20.14089974      6.07351170    -13.25266576
  H     20.47991383      8.51015309     -8.70960623
  H     19.66590845      9.80010367     -6.92391216
  O     16.51544874      6.37425742    -11.24328317
  H     18.24661683      6.02957754    -10.85569728
  H     19.95170725     10.86295363     -5.83833422
  O     21.41333368      8.64636238    -13.20284253
  H     19.14021256      5.84331603     -9.61451801
  H     13.78738316      6.62636014     -8.99223110
  O     16.65925269      9.59017593     -6.00404489
  H     14.40264838      7.68167282    -13.17032153
  H     13.80114186      8.07091910     -8.47548734
  O     19.14770548      9.43729161    -14.48499724
  H     13.52909270      7.20716478    -11.99059437
  H     16.44818126      8.44983264    -13.47128675
  O     16.57304805      8.50694524     -9.52818733
  H     15.04357723     12.45886703     -7.16990224
  H     16.85422046      7.21357338    -14.32513026
  O     19.29055168     10.56949672     -6.45925401
  H     16.22674915     11.83082986     -7.94518386
  H     17.96789179      6.26668969     -7.48330794
  O     13.90613697      7.15316486     -8.19280004
  H     13.49458683     11.06366648    -12.47553817
  H     19.03428315      5.20915254     -7.12361466
  O     16.18500891      7.54996798    -13.71705881
  H     13.85752472      9.57430439    -12.26549782
  H     16.52137305      7.92664979     -6.60005392
  O     18.83754104      5.91222419     -7.73798521
  H     14.46578480     10.50900866     -8.70738264
  H     15.54086577      6.99928523     -7.39100556
  O     16.46430436      7.10899977     -7.11968207
  H     14.06259869     10.15709237    -10.17832281
  H     19.00033129      6.42666238    -14.52787088
  O     18.39306423      6.75737769    -15.21410075
  H     20.71075525      6.85265969    -13.22248313
  H     18.56135034      6.24780161    -16.00179598
          69
 Energy    -250.18385747750503     
  O     12.41193515     12.22041061    -13.07143850
  H     12.05886922     13.09827164    -12.94925595
  H     19.51200466     11.95120778    -16.20661615
  O     18.98288112     10.01934542    -13.37373063
  H     13.16802642     12.30516289    -13.67652240
  H     12.88657866      9.09604693    -17.23253760
  O     15.80512852     10.10325465    -11.85818714
  H     18.69921174     10.66680739    -12.71752757
  H     12.05901719     10.01678300    -16.29547501
  O     11.23958617     10.11918136    -14.66049789
  H     18.95101692     10.47979012    -14.22102520
  H     15.80771877      9.23559382    -15.19641503
  O     13.45191549      7.43274243    -14.47362649
  H     15.74494941      9.93395002    -12.81094985
  H     14.52164264      8.94601576    -14.42113375
  O     14.88087861      5.85912754    -12.72212834
  H     16.46518711     10.79180774    -11.71649487
  H     14.02986909     12.47931977    -18.35038734
  O     18.77117610      7.41136886    -12.66507224
  H     11.53596124     10.88304981    -14.15134505
  H     13.66710050     11.25948779    -17.46839698
  O     14.52919818     12.21452469    -14.83039359
  H     11.10915829      9.41728687    -14.01270015
  H     13.58379638      8.61515694    -10.09142350
  O     16.41629158      7.54427029    -11.09844239
  H     12.70945599      7.70693672    -13.92108119
  H     14.80132489      7.66003439    -10.02746317
  O     16.90812373     10.72521348    -17.40958118
  H     14.00249971      6.85081346    -13.93203226
  H     16.16784744     12.95023358    -14.28911551
  O     17.00996078      6.33552495    -14.63894768
  H     14.08127861      5.65066503    -12.22376289
  H     17.65733872     12.73855415    -14.64565672
  O     18.76154431     11.64766927    -15.70273397
  H     15.41804739      6.42042627    -12.14307008
  H     18.14238398     12.64803494    -11.05579410
  O     12.57542080     10.00009582    -17.11416294
  H     19.65393523      7.08213374    -12.51727624
  H     17.54097002     12.52804627    -12.48034370
  O     15.25031499      9.57685657    -14.48743914
  H     18.86325484      8.34143286    -12.93930880
  H     14.07660801     10.13211622    -11.44761013
  O     14.32278178     11.97022371    -17.59998207
  H     14.77878290     11.28559711    -14.70512352
  H     12.77556440     10.88076333    -11.76060961
  O     13.87421315      7.75191979     -9.77191810
  H     14.42067294     12.32335397    -15.78366307
  H     16.66051113      7.44957035    -16.00875511
  O     17.06707518     13.16128428    -14.00751253
  H     17.28708982      7.38306694    -11.48190001
  H     15.49351647      7.83355600    -16.95940412
  O     17.80823325     12.02161180    -11.69087608
  H     16.21529093      8.46722243    -11.31783177
  H     12.07470172      8.82494535    -12.09996874
  O     13.11905838     10.10627206    -11.29868256
  H     16.76713483      9.77640011    -17.28122895
  H     11.68119008      7.32852700    -12.11087287
  O     16.35375557      8.12539893    -16.63226295
  H     16.04153456     11.12869929    -17.53380635
  H     12.05784710      5.22678895    -10.57225361
  O     11.56652074      8.15909453    -12.58804172
  H     16.30500165      5.97501752    -14.08972309
  H     12.94970643      6.49168370    -10.55533918
  O     12.48752784      5.86210889    -11.13871474
  H     17.67213620      6.66882263    -14.01999989
  H     13.53325551      7.30748635    -16.21292669
  O     13.67180249      7.35920078    -17.17567839
  H     18.10941639     11.31830327    -16.34707271
  H     13.30455373      6.56324687    -17.55140104
          69
 Energy    -250.18378133716726     
  O     -1.50227206      0.60661364      3.62030862
  H     -1.64997645     -0.11896246      4.22088002
  H     -2.68201690      6.09430909     -0.05192536
  O     -4.05651255      1.66978685     -2.74443365
  H     -0.54752645      0.79615134      3.64464829
  H     -2.95307327      4.23007136     -1.09060772
  O     -2.66657415      3.82474987     -4.07523928
  H     -4.07031761      2.06560199     -1.85764060
  H     -2.58533923      4.71972613     -2.51047950
  O     -4.39435098      4.35028284      2.02386239
  H     -4.94297963      1.36134028     -2.91725795
  H      3.09214855      3.98731884      4.47785975
  O     -0.12784670      0.45480582     -1.00974228
  H     -1.84856055      3.43170219     -4.40055059
  H      2.69672555      4.01770190      2.98498701
  O      1.07106107      2.62844268     -2.38461296
  H     -3.20486867      3.08667469     -3.76153683
  H     -0.18495243      3.75556901      1.95294724
  O     -0.34942421      6.93770511      2.22943605
  H     -3.78736824      3.94235471      2.66809064
  H     -0.03466663      3.94807631      0.41058678
  O      1.17640792      1.14277703      3.54343508
  H     -5.16511825      4.62670389      2.51246736
  H     -4.19334866      3.35117715      0.48415885
  O     -1.58813474      0.38778431     -3.42166778
  H     -0.87414773      0.62695065     -0.41735627
  H     -3.22752628      2.19365123      0.15612096
  O      1.81006671      1.27291241      0.81756316
  H      0.64568212      0.47154796     -0.43074078
  H     -1.83799187      3.78295432      3.81759116
  O      3.13985400      4.60369573      1.38631127
  H      0.62203722      1.91568002     -1.90840622
  H     -2.35306359      2.33311034      3.79637993
  O     -2.70369877      6.39470851      0.86456986
  H      0.72616424      2.61142497     -3.28649823
  H     -1.91312366      0.87250676      1.80396329
  O     -2.52177329      4.94813017     -1.57207642
  H      0.35471897      7.00562801      1.57630645
  H     -1.33914268      2.04052995      0.98121291
  O      2.40869394      3.72352797      3.86726078
  H     -1.18051145      6.84357882      1.73821860
  H     -0.26558640      5.49658145      3.20045486
  O     -0.11756196      3.28994270      1.10941566
  H      1.50091382      0.96291311      2.65101958
  H      0.65979678      4.39262494      3.82340775
  O     -3.85122459      2.81770160     -0.24489637
  H      1.58781685      1.97992290      3.78966897
  H      1.15748810      6.17461931     -0.33936645
  O     -2.64538652      3.25015008      3.76501944
  H     -2.45694808      0.71603202     -3.15749347
  H      1.95236827      7.50173669     -0.33044216
  O     -1.92564665      1.26679172      0.92426704
  H     -1.09021584      0.23575484     -2.60728011
  H      0.50546038      4.20859376     -1.64646748
  O     -0.24776550      4.60054712      3.57477656
  H      1.18090614      1.99736072      0.97253549
  H     -0.77320943      5.03271597     -1.31231575
  O      1.70668266      6.75761755      0.21346270
  H      2.54474384      1.66643199      0.33497937
  H     -0.09817313      2.07202235     -5.69927466
  O      0.17589104      4.95826636     -1.13515119
  H      2.71636856      5.40544211      1.05351601
  H     -0.75635224      1.56352115     -4.39200579
  O     -0.29514912      2.32022096     -4.80010899
  H      3.29941830      4.04982886      0.61425048
  H      2.66385332      2.80510184     -1.51025502
  O      3.42231774      2.84887140     -0.90567208
  H     -3.29374717      5.78220937      1.31921868
  H      4.20218188      2.69907650     -1.43486360
          69
 Energy    -250.18311225356740     
  O     -4.24817109     -0.13028689      3.59832562
  H     -4.06413040      0.81238826      3.70999861
  H     -6.52254899     -4.05488499      1.19775755
  O     -0.47083349      3.69200664      2.41304290
  H     -3.40323554     -0.56836028      3.42576911
  H     -3.61473102      1.12265579     -0.03805325
  O     -1.85830158     -1.25033460      2.79385140
  H     -1.25936568      3.82553437      1.87003434
  H     -3.22235084      1.48612296     -1.49407982
  O     -4.16854677     -1.39328775     -2.42092057
  H     -0.00334890      2.93423275      2.03978544
  H     -5.77721945      3.81978535     -0.51164719
  O     -1.98321673     -2.63970445     -1.04662911
  H     -1.60888412     -0.93773758      1.91443603
  H     -5.87648363      5.32852284     -0.17963146
  O     -4.90122229      0.55613355      1.00738163
  H     -1.26693393     -0.79227620      3.40922715
  H      1.68908725      1.15106714      1.23850604
  O     -6.24317237      2.78157345      2.22317743
  H     -4.91518872     -1.49067977     -1.81388241
  H      0.23169295      0.67785675      1.05426303
  O     -8.28309078      0.56580769     -0.82300208
  H     -3.41507080     -1.82628562     -2.00311498
  H     -3.73972877      4.13369992      0.75023164
  O     -3.75656485      2.63973893      3.56316114
  H     -1.52732268     -3.39999501     -1.39804650
  H     -2.81112372      2.94870592      0.43480365
  O     -4.21629545      1.22578100     -3.04396021
  H     -2.42008392     -2.93073907     -0.22456974
  H     -6.59532066     -2.01306383      2.72491024
  O     -6.22465470     -1.30495798     -0.52007032
  H     -5.48470949      1.29100688      1.23283643
  H     -5.97854845     -0.87409987      3.54745227
  O     -5.99296991     -3.28199718      1.37974191
  H     -4.63831373      0.17130651      1.85406645
  H     -0.95248345      3.32722028      4.05392744
  O     -2.89469485      1.47442266     -0.58763570
  H     -5.51711242      2.79980733      2.86033627
  H     -0.98426955      3.57821166      5.58228397
  O     -5.49715321      4.50699437      0.12051611
  H     -6.07445051      3.48475141      1.58359066
  H      0.27706325      0.73308796      3.36951260
  O      0.80301327      1.26679125      1.57356189
  H     -9.18971756      0.58358219     -1.11594900
  H     -0.57859739      1.23159903      4.54500048
  O     -2.94035090      3.68510339      1.05027292
  H     -8.30068041      0.64190517      0.15030865
  H     -7.65900014      1.56518900      2.10109928
  O     -6.82287333     -1.23190066      3.24114761
  H     -3.45191617      2.95719127      2.70105553
  H     -7.78738314      0.04804754      2.35972831
  O     -1.30771929      2.99662266      4.89956461
  H     -3.02126909      2.78355737      4.17144655
  H     -2.75904005     -2.71507060      1.98640204
  O     -0.18505665      0.43765374      4.16404966
  H     -4.20184322      0.26218479     -2.89658295
  H     -4.09604854     -3.30262532      1.44162227
  O     -8.16198037      0.78038788      1.84841741
  H     -4.01845914      1.36773198     -3.96541149
  H     -1.19731149     -1.13104482     -0.26590287
  O     -3.14354736     -3.26955444      1.29516394
  H     -5.72129454     -0.68445003      0.03159316
  H     -1.62776275      0.34462979     -0.09222980
  O     -1.00727089     -0.32614276      0.23088552
  H     -7.02636596     -0.82681835     -0.76310470
  H     -6.97763876      1.86148733     -1.33250357
  O     -6.27862946      2.49931637     -1.52028027
  H     -6.14680057     -2.65825702      0.65038391
  H     -5.63852808      2.05500656     -2.08914447
          69
 Energy    -250.18285636495648     
  O     12.34822520     10.49542106    -10.57801998
  H     11.71351868     10.59588130     -9.87373492
  H     18.15014038      8.46903620    -16.14285062
  O     15.20782165      7.64370186    -15.37707425
  H     12.71531514      9.59638282    -10.49713014
  H     14.76458967     13.03613128    -12.52150490
  O     16.74434487     11.63112038    -14.58655801
  H     14.43192046      7.66354048    -15.94968082
  H     15.61110825     12.95956369    -13.81370016
  O     11.73715936      7.78855060    -14.31147915
  H     15.12100291      8.40349752    -14.77736852
  H     13.97175432      9.95444756    -13.56219874
  O     18.87999084      6.80594382    -10.45124407
  H     16.75300182     11.60700014    -15.55086056
  H     15.32007733      9.78279355    -12.79753248
  O     15.46269542      6.09194279    -13.10776801
  H     16.05694902     11.00216826    -14.31557183
  H     13.05383580      7.33301262    -11.11573903
  O     16.42726697      9.98688121    -11.35381508
  H     12.03550236      7.84534116    -15.22653636
  H     14.30020338      7.77960125    -10.33911872
  O     16.47866815     11.12303064    -17.33320151
  H     11.77615535      8.69285223    -13.96890291
  H     12.08034450      5.35493307    -12.37064151
  O     18.29790208      6.11604010    -13.17134648
  H     19.27828156      7.68714603    -10.55336038
  H     12.34665778      6.65520367    -13.16505325
  O     13.67087937     10.76743710    -16.86585046
  H     19.43369504      6.32103193     -9.84467632
  H     18.87718233      9.48085670    -13.71030920
  O     12.89549191      8.17322908    -16.88085361
  H     15.42191456      6.56844457    -13.95034640
  H     18.10098085     10.82127717    -13.63887657
  O     17.40825271      8.66501838    -16.72587766
  H     14.54260962      5.92604781    -12.86668651
  H     18.97349054      7.30954773    -14.23130044
  O     14.82695265     13.36968972    -13.42943267
  H     16.35132614      9.08057558    -11.02698446
  H     20.25464450      7.78680127    -14.95320050
  O     14.90764308      9.74673947    -13.67021721
  H     17.23447583     10.03627103    -11.88115906
  H     19.55890669      9.70923381    -11.64588022
  O     13.36742394      7.98483100    -10.47665347
  H     16.87088246     11.44730305    -18.13907526
  H     20.00795846     10.05279412    -10.21995702
  O     12.71015346      6.06188439    -12.48248679
  H     16.84469406     10.23236948    -17.17905278
  H     13.46550701     12.95624906    -14.37982200
  O     18.63469448     10.20548962    -13.11807761
  H     18.53730935      6.25550228    -12.24713340
  H     12.19272371     13.40616688    -15.13682208
  O     19.35762653      8.03917020    -14.74950851
  H     17.34701202      5.94800164    -13.18431268
  H     15.91216073      6.91007977    -11.52244827
  O     19.90536520      9.32236206    -10.82638370
  H     13.36421046     11.43217497    -16.23814107
  H     17.01797897      7.07457595    -10.44697949
  O     12.70698631     12.63831197    -14.90356715
  H     14.60187573     10.95041198    -17.04117428
  H     13.85701368     11.66983800    -10.74077178
  O     16.11340324      7.32400436    -10.66968324
  H     12.58745737      7.95316957    -17.75548043
  H     15.35936646     11.45915471    -10.97025926
  O     14.67249529     12.13948915    -10.94998467
  H     13.13166388      9.11883837    -16.89630097
  H     12.23111493     11.20248584    -13.83485787
  O     12.18384517     10.36026130    -13.36462365
  H     16.64773892      8.21548652    -16.33014648
  H     12.14873464     10.53126316    -12.41426324
          69
 Energy    -250.18278789118688     
  O     18.99403642      8.61844952    -15.74161107
  H     18.34933851      8.40128961    -15.05750325
  H     17.32202412      9.96238476    -10.66449737
  O     14.68977087     11.65777375    -14.53212796
  H     18.51742409      9.10061534    -16.43218655
  H     20.15781168     16.23979625    -12.64163500
  O     20.79745568      9.83460121    -12.05484632
  H     14.61035768     12.60182264    -14.34084709
  H     19.70711640     16.82440251    -13.98948300
  O     20.71801445     12.67603010    -12.24612749
  H     14.69659949     11.54962835    -15.49385404
  H     20.53268454     12.30452170    -15.49774824
  O     14.76278837      9.65527117    -12.63979669
  H     20.86858486     10.79358109    -11.97756541
  H     21.49073059     11.23742261    -14.92757367
  O     18.61277391      8.61500160    -11.07088702
  H     21.05287254      9.61551460    -12.95984955
  H     17.74449479      8.49596882    -12.69836790
  O     15.05276216     11.58196759    -17.29324442
  H     19.76015722     12.70005311    -12.10475673
  H     16.34361549      8.79631004    -13.27302218
  O     18.07382517     15.02992001    -16.01036465
  H     20.87872080     12.52802282    -13.19057771
  H     15.11107742     14.40730450    -16.00983440
  O     21.67102356     15.22550949    -12.04783343
  H     14.64020151     10.36360999    -13.29304540
  H     16.43750291     14.55806854    -16.75869037
  O     18.97138951     12.42773833    -16.32803789
  H     13.89997704      9.28225508    -12.47605331
  H     20.76913344     17.31218511    -16.35720551
  O     17.67882726     10.27819382    -17.58130923
  H     19.42673608      9.05205813    -11.38081128
  H     21.02634915     16.01706545    -15.54985039
  O     16.65464336     10.66098113    -10.64300357
  H     18.88350443      7.92640804    -10.46984590
  H     17.48762939     14.21784817    -12.76346110
  O     19.40897568     16.65534194    -13.08742397
  H     15.26562935     12.53190083    -17.24675842
  H     17.92775132     15.66447203    -13.13221413
  O     21.30897518     12.18473669    -14.93002886
  H     14.48582856     11.46653927    -18.05184647
  H     22.13779689     15.04505186    -13.90248571
  O     17.25044594      8.58294226    -13.52518357
  H     17.81388081     14.99029449    -15.07943892
  H     21.99263467     13.93509166    -14.96518409
  O     15.53885071     14.21417057    -16.85247309
  H     18.82050791     15.63939410    -16.06362104
  H     22.06264664      8.77204014    -15.14430500
  O     20.33940952     16.65374753    -15.81858260
  H     22.23994273     15.35449122    -11.29351783
  H     20.55197417      9.09769235    -15.16678887
  O     17.24973499     14.99149335    -13.29366074
  H     21.35806628     14.30534397    -12.00853611
  H     16.52274583     11.45429812    -14.44388717
  O     22.14620557     14.88263661    -14.85409800
  H     18.69247504     13.35217980    -16.32954205
  H     17.55598257     10.34142354    -14.13446289
  O     21.40939723      9.37120490    -14.79303250
  H     18.44842541     11.98302213    -15.64159908
  H     14.07412038     15.03587193    -13.69885515
  O     17.46557140     11.28358666    -14.32548477
  H     18.23110279     11.04617415    -17.37789554
  H     15.57856320     14.69557505    -13.77763240
  O     14.69903404     14.44219782    -14.10738909
  H     16.77458643     10.60133226    -17.51062526
  H     17.51264729     12.09653567    -11.37601952
  O     17.96764535     12.64923690    -12.02525787
  H     15.94648799     10.35661358    -11.22228403
  H     17.86400908     12.18227401    -12.86916700
          69
 Energy    -250.18250606989523     
  O     11.90340549      9.72735395    -13.92299546
  H     12.27519500      9.08250873    -14.54281090
  H     21.35170367      9.36738949    -14.94689290
  O     17.10036139      6.93641421    -13.29536968
  H     12.27226154     10.57816262    -14.18016300
  H     14.57147829     12.17625533    -17.96281038
  O     17.61883783     11.12285375    -11.79458649
  H     17.86415120      7.47052387    -13.03864512
  H     14.58625181     10.73224798    -17.41227871
  O     17.08991405     10.80457545    -16.03582399
  H     16.55589928      6.84982664    -12.50097435
  H     16.20491072      8.24008408    -14.15249483
  O     13.43372578      5.29379016    -14.69234707
  H     17.45093230     10.98803597    -10.85475412
  H     16.22144266      9.48715319    -15.10835389
  O     14.39899745      9.55300686    -10.61381161
  H     16.74605530     11.18484327    -12.20999360
  H     11.88028837      9.01270243    -12.34343832
  O     15.66648352      7.02068723    -10.90306236
  H     17.62744442     11.34211820    -15.43449708
  H     11.02842865      8.57244940    -11.12907388
  O     15.06233319     11.00297473    -12.86358367
  H     16.37040172     11.33033303    -16.39549732
  H     18.57166364      8.05188235    -10.61885653
  O     16.68820389      7.10400331    -17.75663329
  H     13.38800013      5.55164409    -13.75378193
  H     17.73066923      8.67401250     -9.48909403
  O     18.77523011      8.73647995    -16.68991026
  H     12.89906432      4.51034382    -14.78720556
  H     14.13962383      6.26219783    -11.64550865
  O     16.13805963      5.61545657    -15.56135661
  H     14.59275781     10.11019427    -11.38267190
  H     12.76696351      6.90745233    -11.91322344
  O     20.44164202      9.44686596    -14.67417860
  H     13.49763644      9.23258149    -10.74287271
  H     19.51870095     11.14765521    -14.36243900
  O     14.61344231     11.67272476    -17.15389754
  H     16.50708889      7.11717591    -10.43232566
  H     18.54421424     11.75551629    -13.33304710
  O     15.66829673      8.95271519    -14.52250741
  H     15.22631104      7.87765592    -10.82843685
  H     18.52777089      9.55061161    -12.20774973
  O     11.91757509      8.57549507    -11.47341212
  H     14.46906182     11.55251866    -13.38522827
  H     19.61100602      8.91148971    -13.11025259
  O     18.07219593      7.83459343     -9.82060267
  H     15.25355235     10.22571361    -13.41419880
  H     16.51066039     10.71307824     -8.37987208
  O     13.31273875      6.14316597    -12.13153826
  H     16.82229539      6.50299686    -18.48532091
  H     15.82193277     10.05088901     -9.59337001
  O     18.86694702     11.84951131    -14.23851229
  H     16.47927327      6.55295450    -16.98108604
  H     15.32640892      8.45795129    -17.85120455
  O     19.01069307      8.72944077    -12.37635963
  H     18.18925736      8.07639568    -17.07495737
  H     13.97571241      8.62768620    -17.13777526
  O     16.68343234     10.31328896     -9.22874663
  H     18.22450318      9.52841847    -16.59775608
  H     12.86318588     13.00395031    -14.81408736
  O     14.56576371      9.04724860    -17.77959796
  H     16.58443545      5.94760188    -14.77032717
  H     13.72707980     11.98941721    -15.59208507
  O     13.29037226     12.15348530    -14.74123273
  H     15.23413098      5.41472694    -15.29192139
  H     13.25335077      7.02559592    -15.35213791
  O     13.30245156      7.96874121    -15.54713388
  H     19.89916631      9.11089362    -15.41034387
  H     14.14424744      8.28398445    -15.17865527
          69
 Energy    -250.18174549678753     
  O     13.19806323      6.52081448     -9.64406323
  H     14.11325969      6.23607669     -9.76469177
  H     14.38709114      7.34587920    -15.24436597
  O     16.93359605      6.73022034    -16.70664674
  H     12.65305976      5.95466568    -10.20341517
  H     15.17122481     10.43723911    -13.08138855
  O     18.16910267      9.09455608    -13.80994288
  H     15.96846477      6.76437607    -16.66003088
  H     15.27643937      8.90468429    -12.97847549
  O     13.75867231     11.23860427    -13.99694159
  H     17.21006263      7.65052703    -16.79048588
  H     14.81794609      6.63304085    -13.17786036
  O     11.96787639      5.61568250    -15.50154982
  H     17.34513614      9.39300158    -13.39615360
  H     13.45438783      7.39064107    -13.27670359
  O     18.61047570      5.73335514     -9.52090512
  H     18.86717342      9.13495841    -13.14493716
  H     12.18494320      4.58406493    -12.08350098
  O     13.20595506      4.04042109    -13.37788058
  H     13.53095108     12.13318540    -14.23518402
  H     10.95743523      4.37331066    -11.16391167
  O     15.88024893      9.00611732    -10.10410679
  H     14.04863174     10.79812632    -14.81670365
  H     19.56801322      8.89617587    -10.95063381
  O     12.03751392      9.64874086    -12.27443379
  H     11.73718185      6.21592668    -14.77099967
  H     20.88982982      9.39922180    -11.57887506
  O     19.65112982      6.09403610    -11.99978790
  H     11.14884365      5.37626108    -15.92791885
  H     16.49328289      5.42871964    -13.24952740
  O     14.72371565      9.96113764    -16.19371577
  H     19.10096050      5.07649028     -9.03483754
  H     15.82102923      5.40803061    -11.84005198
  O     14.20191101      7.19927367    -16.18472116
  H     19.00046089      5.77470238    -10.41308727
  H     17.85486600      9.43052324    -15.53492475
  O     15.73249226      9.73040883    -12.74334213
  H     14.13061293      4.28799727    -13.23648715
  H     18.24662904     10.03296321    -16.90243201
  O     14.40381995      7.46973587    -13.42757379
  H     12.92662371      4.44011045    -14.20932169
  H     17.57968152      6.25063083    -15.07420556
  O     11.61072011      5.01647779    -11.42545286
  H     15.90525666      9.33534659    -11.01450694
  H     17.92290384      7.24214348    -13.95679945
  O     20.07846331      8.94075645    -11.77941607
  H     14.97942244      9.16649499     -9.79846831
  H     18.62540381      7.66127473     -9.35738038
  O     15.70929481      5.13721144    -12.76269527
  H     12.59362111     10.21270171    -12.82462186
  H     17.66769758      8.84716105     -9.61178730
  O     17.55503998      9.55546184    -16.45091219
  H     12.44515512      9.60700596    -11.40058119
  H     11.58560068      8.06517940    -12.90532502
  O     17.82487843      6.29810271    -14.13893234
  H     19.94256724      7.01393483    -12.00030563
  H     11.46441371      6.53956998    -12.53529120
  O     18.60182556      8.60950754     -9.53580727
  H     19.10316166      5.98884598    -12.78856172
  H     15.93625173      7.15726602    -10.21247623
  O     11.58177187      7.16360890    -13.26252684
  H     14.41415236      9.05886223    -16.34760206
  H     16.81074235      5.92565343     -9.87389461
  O     15.94325365      6.18942478    -10.20555660
  H     15.67831276      9.92904347    -16.33074975
  H     12.63044330      9.52521207     -8.86810819
  O     13.10829799      9.21654802     -9.63370093
  H     13.43302176      6.61910119    -16.19614360
  H     13.07034491      8.24224695     -9.61282916
          69
 Energy    -250.18158512871565     
  O     10.38967249      7.71765317    -11.30507798
  H     11.09175726      8.31525143    -11.02436899
  H     14.57990022      2.28404409    -12.25088365
  O     12.67094104      4.27816771     -9.06480366
  H     10.37004058      7.78999582    -12.26709798
  H     15.57448767      3.73370144    -10.47795439
  O     17.31658759      7.27469371    -12.80120736
  H     12.51749751      3.67915885     -8.33859900
  H     14.43798124      4.19107092    -11.43307334
  O     14.90420861      4.53704198    -15.64580372
  H     13.36303756      3.87797405     -9.61703783
  H     15.07027039      6.16999737    -14.95333687
  O     17.22190272      4.48412025     -9.97127610
  H     17.57298194      8.19708338    -12.92908220
  H     15.93184492      7.05412840    -13.96877448
  O     14.53354681     11.26015268    -10.39114361
  H     16.98704612      7.20745599    -11.89420796
  H     14.30582129      6.02786807    -13.06365063
  O     13.73226978      6.75544081     -9.92464821
  H     14.08434424      4.05887077    -15.47902542
  H     12.92097354      5.41070687    -12.75769139
  O     13.26182554      8.89758720    -13.64759274
  H     15.60993567      3.95277084    -15.33979860
  H     16.82168591     10.36780988    -13.10877816
  O     12.63529931      2.88620721    -14.81055710
  H     17.02399102      5.43654595     -9.94288705
  H     18.32055552     10.62364030    -13.39672607
  O     16.97804732      9.78592447    -10.16835881
  H     17.80614434      4.30324356     -9.23933956
  H     17.80174071      4.41480183    -11.79446637
  O     16.84867526      2.80987363    -14.48284025
  H     13.87116572     10.55347756    -10.48441622
  H     17.86543813      5.49720036    -12.88420133
  O     14.52574650      1.89906728    -13.13413322
  H     14.11894129     11.96201107     -9.89654079
  H     15.52357612      7.02367554     -9.95638904
  O     14.69559357      3.50022633    -10.80101565
  H     13.33097142      6.06284153     -9.38921660
  H     16.70619827      8.04021275     -9.99547420
  O     15.07132942      6.96572516    -14.39995950
  H     13.71322484      6.41614180    -10.83534278
  H     14.47860141     10.32190141    -13.45306911
  O     13.79429181      5.57627268    -12.38172125
  H     12.39096785      8.58204664    -13.91794738
  H     14.94020805     11.19325650    -12.26664888
  O     17.72263309     10.03423760    -12.94557266
  H     13.90298171      8.25068916    -13.97872904
  H     11.22537268      4.70439211    -10.32360754
  O     17.95219973      4.54600531    -12.73761447
  H     12.30527452      2.17579447    -15.35458959
  H     10.48691143      5.90093022    -10.98135259
  O     16.47630736      7.10479479    -10.09965407
  H     13.26002056      2.48625286    -14.17962063
  H     13.15364423      8.37223893    -10.44548999
  O     15.17454244     10.92672962    -13.16442369
  H     16.18011949     10.32884746    -10.13809323
  H     13.00724352      9.06043941    -11.83820690
  O     10.61945591      4.94135272    -11.03230259
  H     17.36682564      9.94381837    -11.03737488
  H     10.96594475      6.71567409    -14.07326852
  O     12.85040488      9.17769491    -10.88892195
  H     17.27775111      3.42554627    -13.86214222
  H     10.11946551      7.74371165    -14.85932572
  O     10.77785647      7.66531525    -14.17378685
  H     17.54781687      2.33653453    -14.92573205
  H     11.67665130      4.24623558    -14.04341823
  O     11.34161916      5.05250168    -13.63232525
  H     15.36109217      2.11440966    -13.57031270
  H     10.98815674      4.85023791    -12.74963556
          69
 Energy    -250.18096091507587     
  O     14.05586826     11.62426945    -14.05434211
  H     14.20058245     11.34518885    -13.14008926
  H     13.91193610      5.79973681    -11.13868001
  O     15.15997249      6.11642235    -17.30794009
  H     13.11382946     11.49640443    -14.20992307
  H     14.80916055      8.15300232    -13.72885068
  O     12.69325373      6.05484068    -12.46221356
  H     14.93682443      7.03973123    -17.47667623
  H     13.91078819      9.01975089    -12.82116371
  O     12.93639987      4.48749266    -16.41831238
  H     14.33035748      5.65142195    -17.14436771
  H     15.24418540     10.72492841    -15.13619981
  O     11.27536440     10.81443769    -14.49795311
  H     11.74062051      6.14957344    -12.56593978
  H     16.23385030      9.52668262    -15.09072080
  O     14.53274481      8.88535944    -17.66075224
  H     13.09240288      6.87162356    -12.80172329
  H     10.29032559      6.52380992    -14.07977586
  O     14.19813010      7.92496877     -8.90078637
  H     12.79480291      3.64853287    -16.85116702
  H      9.19817011      6.18417439    -13.03549343
  O     18.09619601      4.81298305    -12.90222592
  H     13.34206929      4.28864164    -15.55753527
  H     10.85527957      9.80662268    -12.94132536
  O     12.47049821      8.72520422    -15.78996715
  H     10.65397067     11.30738769    -15.02844067
  H     10.42299949      8.37814445    -12.51962659
  O     15.72859153      3.47370966    -11.85379266
  H     11.62466274     10.10475936    -15.06364937
  H     13.53318328      4.83068903    -13.46793600
  O     16.41278709      5.39532702    -15.00970898
  H     14.66115217      9.33115050    -18.49334554
  H     14.62180210      3.75148694    -13.26602324
  O     14.65808304      5.74907398    -10.52512392
  H     15.04877761      9.37779700    -16.99466826
  H     11.55036432      5.70476012    -15.97069138
  O     13.89317432      8.29034239    -13.45370290
  H     14.96756067      8.45980776     -9.12900872
  H     11.41905679      7.23137791    -15.81152723
  O     15.81217491     10.16173344    -15.68216046
  H     13.43052403      8.43315964     -9.19191763
  H     11.58200950     10.15437946     -9.32345136
  O     10.03036462      6.63539453    -13.14709499
  H     17.60713717      4.98091036    -13.72572641
  H     11.57457643      9.45131447    -10.69905992
  O     10.71193593      9.23304317    -12.17891236
  H     18.94271378      4.45360383    -13.15530779
  H     16.57343513      7.13937449    -14.47380406
  O     14.09801662      4.20367325    -13.94285420
  H     12.98764870      8.57072805    -14.98376697
  H     16.78753041      7.78560724    -13.09311914
  O     10.94890809      6.39705054    -15.67292864
  H     13.09926029      8.80267514    -16.51795307
  H     13.54146474     10.21477533    -10.95389128
  O     12.12380638      9.64083855     -9.91715325
  H     16.61279849      3.77454418    -12.09149068
  H     15.07937011     10.06902194    -11.09146427
  O     16.57995947      7.99028425    -14.01361426
  H     15.38500993      4.12967059    -11.23094840
  H     16.76460041      8.48896585    -10.53911007
  O     14.28103505     10.33570209    -11.56376851
  H     15.63193174      4.99811725    -14.59960057
  H     17.23946247      9.70045677     -9.70617397
  O     16.46562817      9.29899366    -10.09369850
  H     16.14246555      5.62881406    -15.91044913
  H     17.52518788      6.25511365    -11.81835181
  O     16.98600238      6.95412025    -11.42936727
  H     14.47276543      6.39348461     -9.82698937
  H     16.16258161      6.53236575    -11.13731345
          69
 Energy    -250.18030618545907     
  O     17.63431333     11.28877882    -13.80031078
  H     16.84850738     11.84380082    -13.73270345
  H     14.84488125     11.84560602    -10.32318529
  O     15.09725580      6.10281830    -11.94626531
  H     17.78101664     10.92785913    -12.91580723
  H     15.27508379      7.91059409    -11.97883366
  O     11.78775934      9.11847069    -13.33173306
  H     14.13569738      6.20221590    -11.92278596
  H     14.95684820      8.95631092    -10.90188816
  O     19.05665718      7.57559620    -11.24733177
  H     15.35248532      5.93285774    -12.86320025
  H     17.84886463     10.05424090    -15.00209879
  O     13.21011531      7.10636421    -17.14584120
  H     12.60542595      9.50544470    -13.67625226
  H     18.65098014      9.57113614    -16.23341533
  O     15.82789546      5.94054105    -14.60602689
  H     11.39507533      8.60134092    -14.05001473
  H     11.74002947      5.51542850    -13.03261638
  O     14.24962715     10.09400395    -14.04839413
  H     19.92318633      7.19873764    -11.12193682
  H     10.83758253      4.32390618    -13.42027667
  O     13.61247614      4.68673096    -15.62455642
  H     18.78941274      7.36471601    -12.16077927
  H     17.52143990      6.54795960    -14.04939151
  O     14.99441687      8.76324827     -9.02454898
  H     13.22560953      7.22166145    -18.09293102
  H     18.24028598      7.85958174    -14.41557211
  O     16.72812211      6.74743971     -9.73783921
  H     13.97448730      7.59148731    -16.79447442
  H     10.96422533     11.01641395    -10.85778817
  O     12.33976412      8.12166533     -9.53800952
  H     15.65839225      6.79310969    -15.02810910
  H     11.71376650     10.07272055    -11.82053029
  O     14.22209181     12.11440592    -11.00809569
  H     15.15246485      5.33901517    -14.95171660
  H     12.31026380      7.05190853    -10.98216796
  O     15.21346050      8.86356207    -11.82840859
  H     14.60499275      9.68172034    -13.24319707
  H     12.22469439      7.52961375    -12.44119531
  O     17.96017822      9.31585990    -15.62765712
  H     14.49072037     11.02618700    -14.00847758
  H     11.03121987      6.51385444    -14.87546574
  O     11.43470477      4.97484556    -13.78042827
  H     12.87947237      4.67418611    -14.99647849
  H     11.70882100      7.33128384    -15.99050588
  O     18.24990943      7.12615101    -13.78947161
  H     13.41457280      5.40049073    -16.24379696
  H     16.93159272     10.88840913     -9.93578707
  O     11.79475764     10.56248364    -10.98477238
  H     15.65008416      8.05642773     -9.14208401
  H     16.88584390     11.79934939     -8.68661897
  O     12.36800181      6.74273333    -11.89834236
  H     15.46758112      9.58743965     -8.86948963
  H     14.88863678      9.01495836    -15.30486483
  O     11.03449035      7.38004666    -15.30151487
  H     16.18837327      6.34224251    -10.43161954
  H     16.23996479      8.69515404    -15.97955606
  O     16.34443300     11.25614068     -9.25369280
  H     17.56396436      6.97400103    -10.16084385
  H     14.91119521     13.56859756    -13.72153665
  O     15.32185426      8.40342848    -15.91916457
  H     13.23138185      8.26813722     -9.19171541
  H     14.82873205     12.53395260    -12.57334124
  O     15.15526478     12.67938305    -13.48028340
  H     12.06984939      8.97405993     -9.90019010
  H     16.83939277      9.59983099    -11.57008405
  O     17.68316879      9.99954180    -11.30529261
  H     13.43046639     11.57005614    -10.91642345
  H     18.29846692      9.26225537    -11.20558572
          69
 Energy    -250.17958727541844     
  O     13.02929125     11.93177957     -8.66754446
  H     13.76039263     12.47825527     -9.00938561
  H     10.12664131     13.17291783    -13.91019039
  O     11.32713026     10.86776326    -15.47503401
  H     12.97063407     12.10251279     -7.73148513
  H     13.41680836     13.16693233    -12.76958372
  O     13.59836989      9.45026690     -9.95897088
  H     11.20468898     11.76068801    -15.11874782
  H     13.39967410     14.57651131    -12.15432482
  O     18.36635139     12.33890902    -13.37987306
  H     11.74425576     10.96793702    -16.34020521
  H     12.47774614     13.29955372    -17.16954085
  O     11.24369504     12.26710870    -10.81679542
  H     13.43827987     10.24871137     -9.44079144
  H     11.81448364     14.00957103    -15.97393078
  O     11.37922779      9.62715469    -11.69092413
  H     12.80543874      9.31973730    -10.49362404
  H     15.20769831     11.87463735    -12.66936025
  O     13.18599977      9.65862645    -13.79487782
  H     19.30033977     12.31457762    -13.57189342
  H     14.10499469     11.13936055    -13.51714375
  O     14.90640617     15.53300959    -11.56093691
  H     17.93594374     11.72805619    -14.00182985
  H     13.68639966     11.45742722    -17.60718483
  O      9.46599602      9.68621313    -13.78170545
  H     11.75583363     12.88510549    -11.35727862
  H     12.65747714     11.24510762    -18.74034886
  O     14.95992455     13.91873573    -15.45191317
  H     11.72347124     12.18661486     -9.98297842
  H     15.18509656      9.07230618    -10.51777980
  O     15.35523449     11.69926576    -17.13830057
  H     10.64326283      9.48449332    -12.29810316
  H     16.50925253      8.31344599    -10.26348970
  O     10.90327982     13.41760256    -14.43310369
  H     11.31037598     10.54706790    -11.39246550
  H     14.82427370      8.69601969    -13.78511279
  O     12.82379551     13.87144544    -12.47189969
  H     12.63538941      9.55751670    -13.00634151
  H     15.90944956      8.50118418    -12.71448969
  O     12.49135940     14.11535240    -16.65599551
  H     12.60140759      9.99466248    -14.48745351
  H     16.00813873     11.21461739    -14.53710614
  O     14.59999600     11.96551808    -13.41712331
  H     15.58729544     15.28851478    -12.21279468
  H     16.56963818      9.79441277    -14.54394079
  O     12.73418253     11.43837368    -17.80969708
  H     14.98808819     16.47262301    -11.42085061
  H     16.47580593     10.69233793    -11.20885237
  O     16.08957228      8.93346710    -10.85402645
  H     10.05981061     10.03048645    -14.46921332
  H     17.26621797     11.83698018    -11.93865199
  O     15.75163843      8.44962170    -13.66500686
  H      8.84699015      9.10676099    -14.21897165
  H      9.01670432     11.42903675    -12.97643876
  O     16.74884749     10.69016240    -14.86813507
  H     14.11775423     14.15007775    -15.87150057
  H      9.63717847     12.34843286    -11.90637241
  O     16.48878351     11.63964028    -11.40180259
  H     14.75251784     13.27945086    -14.75658720
  H     16.18390048     14.62086480    -14.26106166
  O      9.05591096     12.34536784    -12.67838717
  H     15.95111780     11.16750958    -16.59996124
  H     17.33943620     14.03717753    -13.42083603
  O     16.70154006     14.75710186    -13.45387786
  H     15.33718845     12.56674060    -16.70990771
  H     15.00900393     14.16202568    -10.24187930
  O     15.06406371     13.35009481     -9.72513477
  H     11.56869808     13.71210482    -13.79610503
  H     15.64540274     12.75999255    -10.22433039
          69
 Energy    -250.17872510451076     
  O     15.56772568     11.60821221    -16.60652666
  H     15.24650687     12.48212428    -16.81696820
  H     18.32370606      7.39615108    -17.79197726
  O     12.92489978      5.76513712    -14.49054625
  H     15.07297388     11.31776305    -15.81938659
  H     16.68258480      8.54242168    -14.83404370
  O     19.09187977      7.38976534    -12.90440651
  H     12.14282537      5.23035023    -14.38540028
  H     15.33461460      8.19307226    -15.54456233
  O     14.33533689      5.10818785    -16.71096522
  H     13.39599960      5.43091716    -15.27485378
  H     14.40522960     10.43124439    -13.57678980
  O     16.30054294      8.98917804     -9.56098053
  H     18.54175827      8.17378160    -13.06012918
  H     13.73837673      9.90670741    -14.86217669
  O     14.73586238      6.72699913    -12.56364865
  H     19.68696126      7.33127967    -13.66318693
  H     17.21532397      4.12290750     -9.42706879
  O     17.44593693      9.46285769    -13.49367430
  H     15.25468406      5.06736754    -16.41448431
  H     16.35881327      5.33374973     -9.87047554
  O     16.89707061      5.37021103    -15.56435817
  H     14.27106302      5.83929819    -17.33753396
  H     13.42789812      8.07121122    -16.59475691
  O     14.99288712      6.43956916     -9.77450089
  H     16.51035471      9.54793784     -8.81748713
  H     13.13225120      7.49892498    -15.18684605
  O     19.89751625      9.90208418    -16.78894730
  H     17.11407108      8.49992629     -9.77990614
  H     20.07611493      6.82192913    -15.96672712
  O     19.03998820      5.74258921    -17.23051390
  H     14.09263833      6.34176903    -13.16977591
  H     20.37400412      8.31007444    -15.71728873
  O     17.91450803      8.26968881    -17.76922431
  H     15.58193426      6.28489741    -12.71909034
  H     17.89617269      6.05721457    -12.87084553
  O     16.28551938      8.03932122    -15.55810234
  H     16.65874638      9.61913153    -12.95795396
  H     17.22670095      5.02267175    -11.92922393
  O     14.15824296     10.68740216    -14.47309441
  H     17.67194807     10.26543432    -13.98622639
  H     18.83865740      7.46310563    -11.05488606
  O     17.17685687      4.83832567    -10.05549293
  H     16.66902819      6.31437054    -15.56306508
  H     18.17036891      6.51694591    -10.04124770
  O     13.43146350      8.28882800    -15.65323152
  H     17.02316660      5.13769393    -14.63500605
  H     15.54344861     10.26690726    -17.94525396
  O     20.44332261      7.43447742    -15.31915665
  H     15.31796921      7.31969796     -9.54732487
  H     16.44895765      9.15750267    -18.52117498
  O     17.20270087      5.38000343    -12.82461180
  H     14.72627592      6.49873710    -10.70254145
  H     15.42515210      9.44543344    -11.15914592
  O     18.45138512      7.43062746    -10.16968985
  H     20.48884779     10.21188285    -17.47113297
  H     14.88631796      8.53621111    -12.28393518
  O     15.56506121      9.54298541    -18.58454668
  H     19.20817287      9.37899668    -17.23139112
  H     18.75183550     11.03087277    -15.77028221
  O     15.07903187      9.45931344    -12.06064918
  H     18.30645358      5.48852548    -16.64458791
  H     17.28926197     11.55112605    -15.78484149
  O     18.07327177     11.45464399    -15.22971477
  H     19.34514953      4.94364717    -17.65222578
  H     13.25457896      7.44463660    -19.07027167
  O     13.82715760      7.48206138    -18.30836408
  H     17.31329218      8.26300576    -17.00586760
  H     14.44814623      8.21549659    -18.46549590
          69
 Energy    -250.17868792143156     
  O     10.67695685      9.65888116    -12.97406302
  H     11.53389862     10.00060081    -13.25889487
  H     16.29492257      5.70220929    -17.89665749
  O     14.27592182      6.09499215    -15.02450848
  H     10.81458658      9.22850021    -12.12018115
  H     18.28813706      6.45453760    -14.85440564
  O     16.88437256     10.53883752    -10.61122799
  H     14.85894557      6.00519360    -15.78843590
  H     18.20481226      7.83795293    -15.54246140
  O     15.24852250     10.94195455    -15.92412645
  H     13.58093955      6.72529304    -15.26599983
  H     15.34528722      7.16966726    -14.03823953
  O     12.48397350      8.09232173    -15.63473412
  H     16.65176354     11.37386693    -10.21353507
  H     16.67621324      7.08332416    -13.24536922
  O     15.75720221      6.19570997     -9.00925832
  H     16.06973867     10.17269951    -10.99514692
  H     10.56130298      8.13406287     -9.76359716
  O     13.45265803      5.27185559    -12.50251679
  H     15.04966950     10.18700888    -16.50832873
  H     11.89754071      7.75992199    -10.44333625
  O     14.73224130      9.27561276    -11.72673902
  H     15.22957689     11.72278582    -16.47156742
  H     19.52042898      8.34717603    -11.85122144
  O     14.59461659      8.75165966    -17.37218556
  H     11.55788035      7.89352345    -15.45337161
  H     20.67336640      7.45209438    -11.33289315
  O     16.08897897      4.73346662    -11.48558774
  H     12.74220433      8.79931772    -15.02568230
  H     10.43271962      6.39529632    -13.35470035
  O     17.47928024      9.51314475    -14.86496778
  H     16.46118872      6.85147402     -9.16224884
  H     10.70037166      6.60812537    -11.86202148
  O     16.06622517      6.28727996    -17.17941487
  H     15.92376471      5.80602637     -8.15529429
  H     18.51727963      9.83239352    -13.36649781
  O     18.27119519      6.89040474    -15.71725667
  H     12.48711399      5.34407869    -12.53269042
  H     18.26934287     10.20475083    -11.88559913
  O     15.95818998      7.68081859    -13.49533239
  H     13.75992954      5.44919946    -13.40204462
  H     17.43314160      5.37883696    -12.49475616
  O     10.99660753      8.08372431    -10.61107728
  H     15.23014805      8.72655402    -12.35656280
  H     18.66145442      6.35045770    -12.44894581
  O     19.72593675      7.49164733    -11.43085431
  H     14.25413800      8.64702857    -11.17232705
  H     17.43931259      8.90564520     -9.78912183
  O     10.77072104      5.95333995    -12.56681801
  H     15.13825103      7.95537520    -17.39970927
  H     18.42595735      7.76164605    -10.09223321
  O     18.92757889      9.84270603    -12.49128122
  H     13.76350125      8.49469593    -16.94955746
  H     13.54238629      6.49850075    -11.17313936
  O     18.02553266      5.92330124    -13.03669624
  H     15.19132179      4.74321627    -11.84091368
  H     14.24161635      6.82399406     -9.82713033
  O     17.68156760      8.00895495     -9.52963084
  H     16.02460585      5.13584611    -10.61175584
  H     13.95819608     10.56808025    -14.55915809
  O     13.54723074      7.12014294    -10.42874688
  H     16.92036087      8.86948019    -14.40027979
  H     13.79253398      9.94610513    -13.14602396
  O     13.31272845     10.18847798    -13.95022629
  H     16.86329488     10.13090990    -15.27273428
  H     10.06803784      8.45091849    -14.08263393
  O      9.88226285      7.70352638    -14.68066507
  H     16.89072690      6.47339320    -16.69635863
  H      9.00228646      7.83409670    -15.02303432
          69
 Energy    -250.17865876920632     
  O     14.57293524      9.42067366    -10.68680839
  H     14.42639504     10.13085589    -11.32609840
  H     12.03039308      7.76053744    -11.21498496
  O     13.63252794     11.44453966    -16.37089903
  H     13.72293896      9.00574404    -10.49480145
  H     19.63183150      6.99062404    -15.39423467
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  H     13.67279029     12.21205480    -15.78732886
  H     18.57355382      8.06503164    -15.09154903
  O     16.51931807      6.64040095     -8.33682625
  H     13.31091875     10.71545504    -15.82329286
  H     15.14986299     13.39595313    -14.69487648
  O     16.77121825     12.89028672    -15.15843760
  H     17.74616041     10.56094520    -12.60094778
  H     14.04524002     14.43028337    -14.36690063
  O     15.87780507      7.43500918    -12.21296558
  H     17.21284363     10.09103452    -14.00013952
  H     13.75882087      8.75315088    -14.64680103
  O     14.48774556     11.23343359    -12.76708779
  H     15.64231873      6.41635285     -8.69495367
  H     13.55535122     10.05417638    -13.82657470
  O     18.65442032      7.46170325    -12.02939896
  H     16.51674278      6.36374907     -7.42381443
  H     15.22842169     11.13272980    -16.99727645
  O     18.73562750     10.10115870    -11.09180992
  H     16.69471705     12.35577020    -15.95839192
  H     16.21015440     11.11248450    -18.19291901
  O     13.18797904      5.26213731    -14.11213393
  H     17.05755048     12.27570293    -14.46852138
  H     12.17090807      6.68878571    -13.32346129
  O     16.88869596      3.28286224    -11.39284983
  H     16.83709659      7.44827014    -12.09903582
  H     12.11019456      8.22396050    -13.45619518
  O     12.21627015      7.96391508    -10.28050670
  H     15.48416905      8.10410513    -11.64003085
  H     13.40854865      6.63336984     -9.62044320
  O     19.30385605      7.55911510    -14.70186615
  H     15.42912471     11.07217993    -12.93680172
  H     14.23181137      5.47555631    -10.21414064
  O     14.21540041     13.49513985    -14.43690797
  H     14.27461338     12.07134686    -13.19405455
  H     15.45984521      4.24797566    -11.78386088
  O     13.12204517      9.45505767    -14.45094882
  H     18.83416718      8.34877725    -11.69461733
  H     15.20208960      5.77312361    -11.98029154
  O     16.16149907     11.00445548    -17.24689659
  H     18.96206356      7.43018614    -12.94659584
  H     17.69821065      5.78090409     -9.54968456
  O     11.81923518      7.48400598    -12.90674053
  H     19.43110904     10.61267242    -10.68799077
  H     18.49801473      6.04475077    -10.84424779
  O     14.10010487      5.99520075     -9.41035747
  H     18.11576807      9.85103507    -10.38118326
  H     15.31438436      7.42554038    -13.87148818
  O     14.76657542      4.90845512    -11.92968671
  H     13.71486891      5.02989399    -13.32650448
  H     14.38388312      6.60690350    -14.78879356
  O     18.22962123      5.34903877    -10.22958651
  H     12.84825944      4.44564349    -14.46792042
  H     16.06797514      9.44585234     -9.66101790
  O     14.96146382      7.37829893    -14.77606106
  H     17.28291348      2.45053168    -11.14917458
  H     16.89134237      8.40155272     -8.88911380
  O     16.94004708      9.28549025     -9.27270079
  H     17.43089103      3.97179997    -10.96950502
  H     16.81133450      9.64235890    -16.17755766
  O     17.07762872      8.99273307    -15.51476338
  H     11.38011372      8.17336884     -9.87336140
  H     16.33375473      8.38699610    -15.38417467
          69
 Energy    -250.17790300684561     
  O     13.21451291      8.80500896    -16.90252716
  H     12.91012452      8.71853803    -15.98094705
  H     17.48353691      4.32429513    -14.97717479
  O     16.67814575      6.10327697    -12.52260798
  H     12.43736355      8.95596888    -17.43382851
  H     20.38501753      8.98721766    -12.61725900
  O     19.90159719     10.85581446    -13.07732683
  H     16.83690374      5.24303304    -12.92630186
  H     19.70728284      7.86961410    -11.80982965
  O     19.93594703     10.12544082    -15.80569889
  H     16.62315732      6.72597123    -13.26504298
  H     17.00257518      9.80193164    -17.38815705
  O     14.34465409      4.75093465    -14.91220769
  H     19.04664102     10.79196944    -12.61887269
  H     18.50790386      9.69586616    -17.05644820
  O     15.35674040     10.76391654     -9.99413604
  H     20.38388408     11.55915135    -12.64870511
  H     17.62769746      7.64665249    -14.90435666
  O     14.26732252      6.89711744    -11.40733334
  H     20.72053694     10.52185878    -16.17934558
  H     16.16390783      7.37776469    -15.40600961
  O     15.79734615     10.21534669    -14.00476973
  H     19.88361992     10.43463259    -14.88865156
  H     12.37182768      7.54890344    -14.01220494
  O     18.36176723      5.19232122    -16.22147477
  H     15.18889414      4.35844807    -14.66341917
  H     12.77257393      8.97573196    -13.59312487
  O     15.69757956      8.16825874     -9.30638356
  H     14.54514481      5.37755704    -15.62195180
  H     17.83186750      8.73400389    -11.26706934
  O     19.46554048      7.43810456    -15.01973007
  H     15.10941090     11.31964173     -9.26030758
  H     17.62633553      7.19628622    -11.42687598
  O     16.99745367      3.89486950    -14.25057769
  H     15.45528302      9.85985653     -9.64279625
  H     13.13866720      5.38321663    -13.86070727
  O     20.37175107      8.03151180    -12.49257370
  H     13.56666683      6.47297662    -11.91770697
  H     11.74323787      5.20091276    -13.21578030
  O     17.81948668      9.33487634    -17.62249141
  H     15.09973421      6.55211695    -11.76238281
  H     16.85571267     10.74247884    -11.15916621
  O     16.69174231      7.74857364    -14.68719352
  H     15.03220104     10.05050953    -13.43756078
  H     16.92917776     10.46935596    -12.67654214
  O     12.43497850      8.45720257    -14.33326435
  H     16.11828289      9.34477124    -14.29211069
  H     17.54076528      7.71465993    -18.13562780
  O     18.05072397      7.87509150    -10.88016275
  H     18.01171716      5.60069828    -17.02101289
  H     17.48527340      6.71511856    -19.31543780
  O     12.47872769      5.80392749    -13.27937715
  H     18.90275351      5.87844902    -15.80467520
  H     13.99852752      8.64838034    -11.87180889
  O     17.46668402     10.51598620    -11.87020754
  H     15.09776852      7.64101892     -9.85050736
  H     14.19114599     10.10844944    -11.40976127
  O     17.30920981      6.79998372    -18.38261654
  H     16.58517821      7.97697504     -9.63783619
  H     15.58301230     10.63369175    -15.81953276
  O     13.84011753      9.56986154    -12.12765441
  H     19.70452417      8.26850961    -15.44633722
  H     14.67761708     10.03977044    -16.90498007
  O     15.48770188     10.54731369    -16.77759296
  H     19.81622454      7.49036173    -14.11817753
  H     14.43727839      7.42812141    -16.90834536
  O     15.07146197      6.72107622    -16.73143932
  H     17.34579076      3.01042627    -14.17701961
  H     15.73886685      6.72114955    -17.42962470
          69
 Energy    -250.17788156140637     
  O      1.43920048      2.04041994      3.25240401
  H      2.19469720      2.45558191      3.65885697
  H     -4.55139540      3.22271914      0.66399481
  O     -0.71464315     -2.83496811     -2.63911140
  H      1.03067920      1.46701142      3.92854681
  H     -3.04870133      0.62059778      5.38266519
  O      0.13847377      0.39698664      4.92991315
  H     -1.40141245     -2.32197616     -2.18770749
  H     -2.66865193      2.11110371      5.33084772
  O     -2.30699133     -1.37601107     -0.89135545
  H     -0.42544267     -3.48377372     -1.98667991
  H     -1.05283916      2.28005675     -0.52619253
  O      0.20140272     -4.25395893     -0.28658373
  H     -0.06400857     -0.35137413      4.35618446
  H     -2.34094946      3.12972555     -0.31011058
  O      1.97824984     -2.19037305     -0.35977390
  H     -0.70811607      0.70403431      5.28667409
  H     -3.54482251      0.48745239      0.81040449
  O     -5.03649668      3.11523915      2.33562102
  H     -3.05213083     -0.78722562     -0.71070419
  H     -4.26844512      1.34230956     -0.25256509
  O     -1.09621739      3.01729226      2.54421474
  H     -2.21818230     -1.96837958     -0.13377690
  H     -3.05831220      0.39713871      3.01875073
  O      1.20664713     -0.91573517     -2.81694445
  H      0.68036836     -5.07683023     -0.23229718
  H     -2.04401800      1.42384296      2.40250570
  O     -6.51092206      0.83368719      3.25154544
  H      0.86714236     -3.54307332     -0.25256035
  H     -1.23698082     -3.66986419      0.76655124
  O     -4.18328827     -0.38597140      4.26498345
  H      1.94583188     -1.46208601      0.27405313
  H     -1.33243803     -2.56241456      1.84500569
  O     -4.26929942      3.19521130     -0.26873164
  H      1.88116279     -1.77581454     -1.22616395
  H      1.52859833      0.80796859      1.81858415
  O     -2.39161201      1.25950497      5.68819632
  H     -4.42897839      3.34183784      3.05031391
  H      0.81716431      0.37671247      0.49624644
  O     -1.39212073      3.09762103     -0.13846650
  H     -5.57344529      2.37979967      2.65369892
  H     -2.91688742      4.56363762      4.68242372
  O     -4.12278876      0.43293172      0.03173790
  H     -0.19219203      2.77191713      2.77305492
  H     -2.30836347      3.55210580      3.68221394
  O     -2.49746818      0.58438436      2.25414988
  H     -1.14272039      3.14993138      1.58390562
  H      0.26221310      0.27294924     -1.66253496
  O     -1.86452873     -3.14560169      1.27937417
  H      0.52682873     -1.61153112     -2.87383105
  H     -1.01733571     -0.05613829     -0.87391004
  O      1.40967403      0.07661955      1.20141473
  H      1.58699168     -0.82930443     -3.68653827
  H     -1.21750895     -0.62606740      2.54639337
  O     -3.05244939      3.70357878      4.29203795
  H     -6.45296465      0.16488339      2.54513094
  H      0.25335516     -0.92960864      2.19941439
  O     -0.30932830      0.59823947     -0.95575439
  H     -7.41813643      0.85068717      3.54446040
  H     -4.46088146     -3.66825113      3.08977680
  O     -0.50558943     -1.26825416      2.69386334
  H     -4.18063431     -1.25494932      3.84478161
  H     -3.41232702     -2.98836124      2.19141082
  O     -4.20968914     -2.82429465      2.72020144
  H     -5.02610409      0.03332896      4.04500124
  H     -5.50175525     -1.75654165      1.75021407
  O     -6.04553918     -1.05473124      1.37339778
  H     -4.79271633      3.84223113     -0.73354448
  H     -5.46287422     -0.56218482      0.77677801
          69
 Energy    -250.17634081485079     
  O     12.72249967      7.99942309    -17.30789269
  H     12.15522855      7.80658312    -16.55088228
  H     17.16138541      5.78554580    -13.24034617
  O     16.13320539      7.09135802    -12.47306925
  H     12.87115544      8.95301337    -17.31179176
  H     19.32517681      8.62610715    -12.73197491
  O     15.40811385     11.26499694    -12.30560587
  H     15.21030302      6.93208147    -12.23783677
  H     20.13449332      9.45443350    -11.70891669
  O     18.16905458     11.45699410    -16.26778658
  H     16.43501086      7.81068276    -11.90538821
  H     16.40709710      9.73363656    -18.29042482
  O     15.29037829      4.54054788    -15.46170354
  H     15.05938725     11.00353562    -13.17076653
  H     16.73876512     10.94894886    -17.39694479
  O     13.17455271     10.56797812    -10.82268421
  H     14.64874995     11.22841302    -11.70659729
  H     16.23701134      7.82314583    -14.12327824
  O     13.50256015      6.92926694    -11.64368657
  H     18.04628942     11.47945554    -15.30163327
  H     17.08613126      8.43378007    -15.28781894
  O     14.32374401     10.25487504    -14.63176271
  H     18.72177474     12.20220802    -16.48853929
  H     11.83452558      6.53634512    -14.68093468
  O     18.64816134      8.69412879    -16.33936266
  H     15.20327551      3.73035561    -15.95929822
  H     10.36329679      6.86349237    -15.02910123
  O     14.54097628      8.40598558     -9.43728421
  H     15.23749227      5.26739804    -16.10388840
  H     17.67670285      9.31269915    -11.13606674
  O     19.41345539      7.43161746    -13.96878225
  H     13.49830193      9.88072049    -10.22885552
  H     16.29798493      9.99233096    -11.36459913
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  H     12.71197547     10.10308928    -11.53253841
  H     13.77699371      5.07923073    -14.37713849
  O     19.26263378      9.34790911    -12.08008279
  H     13.75120422      7.28414940    -10.78177955
  H     13.18021111      5.72795216    -13.09498197
  O     16.06805215     10.58398949    -17.98783571
  H     13.08628037      7.65989412    -12.12683542
  H     17.09478777     11.51708167    -13.10834260
  O     16.18793157      8.28684236    -14.97017194
  H     14.99766325      9.57797104    -14.79716407
  H     18.43556598     10.74840606    -13.08803925
  O     11.23830135      7.24138812    -14.99342180
  H     13.98032191     10.53061928    -15.48895101
  H     17.22368678      7.52078199    -19.42164345
  O     16.74824562      9.29005285    -10.87065076
  H     18.25979064      8.38246112    -17.16622863
  H     16.38097272      7.46273670    -18.12533350
  O     12.96368469      5.41228489    -13.98172060
  H     18.61226931      9.65987496    -16.35850737
  H     13.03766737      9.46261840    -13.63444987
  O     17.92667768     11.40042039    -13.58429775
  H     14.70276087      8.28140324     -8.50534023
  H     11.83454886      8.49964772    -13.72069623
  O     17.08214014      7.95546744    -18.58480808
  H     15.38102529      8.69834211     -9.82830197
  H     14.39587101     10.72525974    -17.57708359
  O     12.36695786      9.01224367    -13.10039765
  H     19.32306233      7.80996690    -14.85274148
  H     13.06378183     11.50882255    -17.67562014
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  H     18.91483159      6.60250466    -13.97461461
  H     14.25764992      7.14951717    -17.20883134
  O     15.14583966      6.80978314    -17.02143743
  H     16.97129420      4.90743293    -14.47167258
  H     15.48297931      7.31614593    -16.26512686
          69
 Energy    -250.17589455097169     
  O      0.54784408      0.70103764      2.53634634
  H      0.20715737      1.50119693      2.96672809
  H     -2.60388350      3.24750373     -0.06783474
  O     -2.59121393     -0.42021955     -3.29075458
  H      0.96875860      0.97575569      1.71403429
  H     -2.32254309      0.78524253      5.35801780
  O     -0.06535355     -1.09263053      4.61748846
  H     -1.79374394     -0.04684766     -2.89619557
  H     -1.81582581      1.16795679      6.76866709
  O     -4.50491344     -0.29238786     -1.30381329
  H     -2.49566247     -1.37891016     -3.22099545
  H     -0.07476578      3.73033866      2.19372001
  O     -2.49372074     -3.21787000     -2.60029796
  H     -0.48982176     -0.43206406      5.17801145
  H     -0.74683602      4.13306825      0.86557529
  O     -0.27613056     -2.21963587     -1.05839845
  H      0.32616781     -0.59476678      3.88766151
  H     -3.38659129      0.98350902     -0.67274072
  O     -3.18404230      3.57761933      2.85370525
  H     -3.98132807     -0.25000611     -2.11814903
  H     -1.85305849      1.20280857     -0.80116302
  O     -4.13798707     -2.44595923      3.96130705
  H     -4.32280729     -1.16359135     -0.92582399
  H     -1.15302157      0.27976345      2.12265849
  O     -0.41945549      0.47711932     -1.54025184
  H     -2.70384586     -4.01903620     -3.07354940
  H     -2.34208287      0.63970283      1.18508649
  O     -5.52739352      1.93658366      3.01763541
  H     -3.07928195     -3.19076144     -1.82585810
  H     -3.12396657     -2.82152910      0.29817077
  O     -3.58964698      0.30115508      4.20437321
  H     -0.88265872     -2.65799807     -1.66689964
  H     -4.65974652     -2.92010421      0.37595197
  O     -2.51558704      4.18631500      0.17535296
  H     -0.62023033     -2.40651960     -0.17443393
  H     -1.60988706      3.08940530      3.48974481
  O     -1.52989576      1.02111345      5.87071691
  H     -3.07613042      3.89562839      1.94864238
  H     -0.86537087      2.35150917      4.61873986
  O      0.10634613      3.92157099      1.26515608
  H     -3.99941424      3.06378824      2.86831110
  H      2.33518638      2.12568239     -0.11568528
  O     -2.65457560      1.53492018     -0.36768120
  H     -3.26258689     -2.84484518      4.02869393
  H      1.00018695      2.65964801      0.45709755
  O     -2.07845297      0.07886353      1.92485086
  H     -4.01625388     -1.50890931      4.16459881
  H     -1.01082760     -4.09909671      4.45497035
  O     -3.92513844     -2.86333081     -0.24680487
  H     -0.29309148     -0.46778657     -1.35828448
  H     -0.91275207     -2.56806663      4.26297216
  O     -0.72452695      2.82770956      3.79303922
  H      0.28999689      0.94764276     -1.08727059
  H     -1.87090366     -1.63698168      1.52898226
  O      1.44139381      1.86912528      0.09692552
  H     -6.37358836      2.30415935      3.25839661
  H     -1.54989880     -2.99793781      2.18580240
  O     -1.42255089     -3.36051677      4.01492646
  H     -5.69257098      1.31028508      2.29021881
  H     -5.20763499     -2.62744564      2.60692433
  O     -1.69724403     -2.57116871      1.33484264
  H     -4.32771625      0.87134837      3.95825927
  H     -6.55546848     -3.18967354      2.09744603
  O     -5.80141757     -2.66811538      1.83557153
  H     -3.04709838      0.20817280      3.40394435
  H     -5.97217566     -0.82734272      1.37180272
  O     -5.95321076      0.09424777      1.08615063
  H     -2.86509849      4.69466031     -0.55138054
  H     -5.59248514      0.08555773      0.19096384
          69
 Energy    -250.17569066473254     
  O     15.98812496     11.76584193    -12.13321681
  H     15.72400074     12.20942981    -11.31740254
  H     12.39978930     11.85341985    -10.61903242
  O     17.80578532      8.38029957     -7.49717034
  H     16.62948754     11.09582900    -11.86906631
  H     14.90635322      8.48881118    -14.08432777
  O     11.57171031      5.79418847     -9.20351603
  H     18.44795883      8.25923557     -8.20720332
  H     14.13262622      9.70171671    -14.60903884
  O     17.63903754      5.69522423     -9.92670795
  H     17.30342214      9.17278622     -7.72854744
  H     18.76378206      7.01654783     -9.94918138
  O     16.51071829      5.98875215     -7.33153084
  H     12.33955026      5.97519506     -8.62945501
  H     20.22386075      7.53003006    -10.00730471
  O     17.50500620      9.66479409    -10.92228167
  H     11.07968891      5.08919779     -8.79220228
  H     13.76022572      7.40208737     -7.84934532
  O     15.20342460     12.85599707     -9.61410467
  H     16.96926392      5.51540448    -10.59693534
  H     14.64644549      6.17440450     -7.59343649
  O     10.44732803      8.38737183     -9.78928728
  H     17.18869976      5.67817535     -9.07258841
  H     12.74166527     11.11491493    -12.90620801
  O     16.20733093     10.44319198     -8.55567295
  H     16.93102739      6.86738480     -7.31874249
  H     11.49110861     10.29737898    -12.40529949
  O     13.82168643      8.82333355    -11.06322788
  H     16.84139617      5.52107757     -6.56846129
  H     12.72836814      7.75552611    -14.20753930
  O     13.13997878      6.17375076    -11.47083413
  H     18.24628359      9.11231749    -10.64469419
  H     12.35495966      6.72038212    -13.11737931
  O     12.57906401     12.24588266     -9.75253223
  H     17.02988982      9.90271371    -10.11299868
  H      9.42596060      8.93738662    -13.07500295
  O     14.17453951      8.74024048    -14.66435463
  H     15.29419640     13.76681471     -9.34765945
  H     10.83795407      8.30282809    -13.09171881
  O     19.32293939      7.81205198     -9.87732864
  H     14.24848365     12.66179409     -9.62975118
  H     10.64212095     10.41455536     -7.38966228
  O     13.73190847      6.44078381     -7.73673725
  H     10.77680897      7.49371584     -9.63768197
  H     10.92197620      9.65680687     -8.70955149
  O     12.22231067     10.86496918    -12.13068452
  H     10.36105923      8.50667170    -10.74240390
  H     15.70630970      4.70508945    -12.65266717
  O     11.98577483      7.26467609    -13.82312485
  H     15.96137023     11.33940827     -8.81467671
  H     14.77805851      5.56465912    -11.76571865
  O     10.25891882      8.92311586    -12.61179748
  H     15.37389653      9.97639574     -8.39282738
  H     14.22643423     12.25387142    -14.69906932
  O     11.27245721     10.33159905     -8.09967428
  H     14.59553302      8.70547834    -11.62888942
  H     14.81795035     11.62690118    -13.41505048
  O     15.70867163      5.37210450    -11.97006598
  H     13.28523803      9.53220210    -11.43950966
  H     13.80704258      9.00982743     -9.30997839
  O     14.10735804     11.54169153    -14.07667603
  H     12.56693695      5.88416665    -10.75113811
  H     12.97348085      9.58626998     -8.13235374
  O     13.79954951      9.13722984     -8.34716326
  H     13.31686650      7.11406362    -11.31000806
  H     16.07227245      7.17888012    -12.43399715
  O     16.01646601      8.11693277    -12.65079225
  H     12.09143548     11.70595874     -9.12012355
  H     16.63538228      8.59704574    -12.08320370
          69
 Energy    -250.17554500308228     
  O      1.03913951      1.38905259      3.44207527
  H      0.69502364      0.91502994      4.20797038
  H     -3.49811623      3.08963042      0.58918042
  O     -0.84530244     -1.41057908     -3.71459233
  H      0.33199138      2.00364047      3.20117463
  H     -3.53054299      0.21113657      5.01199659
  O     -0.39457232      0.16200651      5.62715599
  H     -1.44607230     -1.14462916     -2.99842006
  H     -3.34681471      1.73342684      4.85648159
  O     -2.23993829     -0.61267290     -1.46280016
  H     -1.39127586     -1.60776590     -4.47138547
  H     -1.19688125      2.66099685     -0.31882846
  O      0.67518373     -3.10739995     -1.94742541
  H     -0.13362786      0.34376083      6.52710754
  H     -1.41104371      4.17639463     -0.53030068
  O      2.62430769     -1.13138262     -1.10772643
  H     -1.30776225      0.48387302      5.53695754
  H     -3.47671467      0.09717479      0.94829831
  O     -3.85828449      3.17543714      3.71148841
  H     -3.05849052     -0.37650205     -1.00762501
  H     -4.84040182     -0.57733630      0.67565639
  O     -2.84014817     -3.66541468      4.21834570
  H     -1.56592538      0.01088339     -1.15648217
  H     -2.78795863     -0.24214195      2.94351989
  O     -1.27506683      2.74731975      2.68848605
  H      0.24192545     -2.63147070     -2.66727587
  H     -1.87608605      0.94488539      2.47465958
  O      1.13886578      0.49148179     -2.93276311
  H      1.38161208     -2.52694108     -1.63985651
  H     -0.76803267     -3.33127809     -0.86080387
  O     -4.11116852     -1.17773636      3.94181867
  H      3.55813225     -1.28745351     -0.98919135
  H     -1.88828791     -2.29026892     -0.70046979
  O     -4.29698515      2.79591532      1.04466817
  H      2.30857792     -0.71240666     -0.28975688
  H      0.90762844     -0.77326191      1.34618909
  O     -3.00382120      0.96127046      5.32123179
  H     -4.11054465      3.02678688      2.78268491
  H      1.48379344      0.53705436      1.91988315
  O     -1.70078710      3.43281200     -0.00775949
  H     -4.36127078      3.92735038      4.01324613
  H      0.22276221      1.11996814     -1.54259603
  O     -4.22375827      0.07844391      0.32796014
  H     -1.95450698     -3.29335244      4.38113613
  H      0.29686456      0.86960559     -0.01097275
  O     -2.21771967      0.07666419      2.23102363
  H     -2.94143961     -4.40418520      4.81215099
  H     -0.25767801     -2.33299706      3.59761783
  O     -1.56085182     -3.12719151     -0.34357131
  H     -2.06869388      3.02726803      3.16128405
  H     -0.38889051     -1.59972984      4.95396365
  O      1.45882974     -0.00810710      1.12073948
  H     -1.35842500      3.08361219      1.78674160
  H     -1.01248337     -1.19890815      1.97459110
  O     -0.26241007      1.23139299     -0.71079966
  H      0.53887377     -0.12437772     -3.37239868
  H     -0.70325415     -2.44508366      1.10697236
  O     -0.45890557     -2.46611824      4.53538759
  H      1.76241484     -0.05428709     -2.43475127
  H     -3.25803809     -3.81338614      2.33596772
  O     -0.35950790     -1.90121301      1.82577707
  H     -3.71003151     -2.03729302      4.13087534
  H     -2.92407165     -3.65474728      0.82436695
  O     -3.64929873     -3.73244526      1.45762056
  H     -4.76445603     -1.33381079      3.24946552
  H     -6.49083623     -2.35732638      1.56550793
  O     -5.64169554     -1.93475374      1.65742164
  H     -4.45310701      1.89525321      0.73181650
  H     -4.96492044     -2.62626507      1.52966787
          69
 Energy    -250.17534876322256     
  O     17.55292229      9.84040970    -15.05368435
  H     17.71354708     10.77693762    -15.20987679
  H     13.80629309     11.93866954    -10.51079269
  O     14.95727070      9.13187215     -9.36897495
  H     17.38392225      9.77047596    -14.09808352
  H     17.88641497      4.71200141    -14.45475824
  O     17.69163456     12.64611330    -14.68745374
  H     15.53548400      9.87316950     -9.15235846
  H     17.84940285      5.07472298    -12.95673470
  O     12.62299137     10.47395101    -10.28599705
  H     14.11206602      9.52877036     -9.61478498
  H     15.57361499      7.98290823    -10.56273354
  O     15.08249959      8.68808982    -15.57022645
  H     17.70097861     13.51809608    -15.07436236
  H     15.25903049      7.33908871    -11.96494441
  O     19.15988758      7.65859296    -14.55314437
  H     16.87855149     12.58326463    -14.15985890
  H     17.45757546      5.72409856    -16.35716841
  O     20.87749792      9.43274001    -13.15853182
  H     11.75126604     10.46905395     -9.89987120
  H     18.73841931      5.05516128    -16.91386325
  O     18.47881443      6.64936560    -12.01968102
  H     12.54273223     10.05630863    -11.16193478
  H     15.46160206      6.99676863    -16.32626786
  O     12.50486880      9.32979927    -12.73321616
  H     15.97042651      9.06425824    -15.48816411
  H     15.31341628      5.53809316    -15.84086933
  O     13.54691525     10.95723932    -14.85338698
  H     14.47226701      9.42990980    -15.47971581
  H     17.57655289     10.16803182    -11.79209922
  O     15.43269188     12.04288451    -13.16799135
  H     19.00081461      6.92889672    -15.16390286
  H     16.51767963      9.05839372    -12.04101740
  O     14.52058307     12.57177071    -10.66103874
  H     18.63974708      8.41113239    -14.86875455
  H     19.13288826     12.19443320    -13.40360425
  O     17.45797867      4.49152323    -13.61794419
  H     20.43488480      8.79492552    -13.73262844
  H     20.18729752     11.12559850    -12.99597447
  O     15.95864874      7.52056417    -11.32323559
  H     20.81843625      9.05709007    -12.27253479
  H     19.25867527      9.91717521    -10.39860231
  O     18.37948072      5.49095797    -16.14585545
  H     18.65989065      7.03750014    -12.88907404
  H     19.14908654     11.27181116    -11.17607035
  O     15.75554321      6.09255868    -16.49599890
  H     17.58739365      6.91399036    -11.74410779
  H     14.25615466      6.22893280    -13.63548583
  O     16.91160343      9.85490112    -12.41731824
  H     12.73896825      9.89910539    -13.47525921
  H     14.51769925      7.67133626    -14.13943816
  O     19.72609072     11.92486576    -12.69619384
  H     12.95353955      8.48924040    -12.89343955
  H     20.71840890      7.79762560     -9.98319274
  O     18.74125463     10.72785909    -10.48202258
  H     13.07131473     11.63667645    -15.32459734
  H     19.58299135      7.63918999    -11.01796070
  O     14.16048584      7.16015766    -13.39914745
  H     14.19333454     11.40753226    -14.28359930
  H     17.38593011     11.24569302     -9.47837656
  O     20.15839945      8.28828415    -10.57941352
  H     15.89882359     11.23387780    -12.90637105
  H     16.87105194     11.84268871     -8.15172702
  O     16.58160430     11.47056410     -8.98128107
  H     15.06708203     12.40035219    -12.34576008
  H     15.73997362      4.50019511    -13.94641817
  O     14.81421005      4.58153116    -14.23868223
  H     15.23513537     12.29954417    -10.07139034
  H     14.42339028      3.71552994    -14.16221811
          69
 Energy    -250.17458127281515     
  O     11.99543449      4.71360235    -14.56833257
  H     11.75276495      4.96907494    -13.65979718
  H     19.39797948      8.16660660    -12.47855774
  O     16.87125488      6.76309535    -12.02500252
  H     11.21058634      4.35405621    -14.97235259
  H     15.83105655     10.38423100    -16.07745083
  O     16.95072856     11.11713647    -12.19025519
  H     16.48727593      7.55381515    -12.43818164
  H     15.13939051     11.44856522    -15.19611667
  O     14.37791458      3.51010530    -13.47640069
  H     17.78030703      6.98531520    -11.79328938
  H     14.78721983      8.94386334    -13.22844344
  O     13.45799607     10.07384549     -9.88213879
  H     16.49519363     10.33469809    -12.54133086
  H     15.93809113      8.88280109    -14.24077870
  O     14.92981089      6.41040601    -10.12583628
  H     17.54512648     11.39527067    -12.89612561
  H     12.17001434      4.78327839    -11.48042287
  O     13.68437648     11.50611316    -14.08843033
  H     13.55565985      3.76946012    -13.91033628
  H     11.70383019      6.23636173    -11.65431541
  O     17.97291552      6.75190318    -15.86292256
  H     14.21031763      3.58742942    -12.52901621
  H     17.56259709     10.21824005    -10.69091153
  O     15.65183460      8.68163549     -8.62336563
  H     13.78261118     10.83678197    -10.37509972
  H     18.43266202      8.97791915    -10.43872408
  O     19.19879250      8.70321856    -14.11001875
  H     14.21614766      9.70631624     -9.41155570
  H     13.76770904      3.39531783     -9.96478539
  O     16.24689745      5.33167325    -14.28135863
  H     15.63354138      6.45757617    -10.79026731
  H     14.18594206      4.81143005    -10.41735816
  O     19.42323744      7.81076097    -11.57116677
  H     15.12336309      7.10856553     -9.48775086
  H     17.49423289     11.40579120    -15.04518104
  O     15.93156170     11.27866484    -15.72666830
  H     13.84774186     11.82331030    -13.19348310
  H     18.89279216     12.06835030    -15.02996595
  O     15.75064263      8.90184630    -13.29430079
  H     13.28632458     10.63116492    -13.98673659
  H     15.44870417     11.93944423    -11.65602209
  O     11.55021745      5.33654058    -11.97192512
  H     18.43588986      6.20511155    -16.49288259
  H     14.62337686     13.14268765    -11.14655318
  O     17.80084143      9.57019892    -10.01451045
  H     17.40375197      6.15839049    -15.34272613
  H     14.68898799      6.23481780    -14.86440072
  O     13.74283674      3.99613070    -10.70552747
  H     16.44229846      8.99502567     -9.09807294
  H     13.18538469      6.01754877    -15.13508819
  O     18.36499207     11.39847022    -14.60460123
  H     15.81799449      8.82095646     -7.69452606
  H     12.71988406      8.62875470    -10.63153903
  O     14.55382557     12.22894315    -11.41325996
  H     18.93032635      9.59871367    -14.34983334
  H     13.37970827      7.25088988    -10.80359237
  O     13.89731125      6.66485936    -15.21606198
  H     18.82169890      8.09817440    -14.75887144
  H     13.19665494      8.05917140    -14.18698546
  O     12.60676223      7.76838557    -11.06363033
  H     15.68693989      4.57473677    -14.05525277
  H     12.74807562      8.43133426    -12.74094986
  O     13.00605167      8.80040684    -13.59695267
  H     16.50351251      5.74945695    -13.44626692
  H     15.03951978      7.93964998    -16.01474867
  O     15.80463089      8.51886131    -16.13157982
  H     20.30646415      7.48244109    -11.42836458
  H     16.57656138      7.94582762    -16.21839231
          69
 Energy    -250.17325775158284     
  O     15.61310508     11.89101098    -11.48547671
  H     16.36565862     11.46874899    -11.05500131
  H     14.39188973      9.81978778    -16.64945393
  O     14.06156787      7.24617801    -14.94713834
  H     15.78020193     11.82181999    -12.43592958
  H     17.20796672      5.28724115    -15.01042714
  O     15.75261368      5.50911911    -11.03184031
  H     14.73309397      7.79146876    -14.50471905
  H     17.45149504      4.34418424    -13.82315680
  O     19.34067013      6.99746895    -13.03807680
  H     14.19051323      6.35434664    -14.60124316
  H     19.26959806      8.77475388    -12.76578216
  O     13.72919299     11.34442477    -15.75146077
  H     15.99845136      6.44580700    -10.99174754
  H     18.94077335     10.03002337    -13.60821754
  O     13.18882468      5.79930965    -10.06165715
  H     14.91208745      5.44238748    -10.55751683
  H     16.11907496      8.45618067    -12.74719240
  O     12.04375619      7.80862821    -13.16097169
  H     19.03813920      6.19938015    -12.59157510
  H     16.02379443      9.57902607    -13.81997523
  O     16.07562475      8.21743536    -10.96312893
  H     18.92967177      6.96716707    -13.91310861
  H     13.96197926     11.59921324    -11.12753270
  O     17.47707093      9.01620795    -17.38595175
  H     13.25367470     12.03070077    -16.21203513
  H     12.65561326     12.05309578    -10.42967596
  O     11.92273204      5.03397889    -12.54564023
  H     13.16676192     11.06976896    -15.00417090
  H     12.00375483      9.66502866    -13.49615245
  O     17.69714250      7.08015383    -15.30360626
  H     13.16452926      6.76397509    -10.10985419
  H     12.46354654     10.92911809    -12.74205907
  O     14.81152587      9.01756803    -16.98332167
  H     12.62632719      5.48676935    -10.78060378
  H     18.51744951      3.88276757    -11.46613522
  O     16.94730060      4.43220209    -14.64183259
  H     12.69856761      7.68381395    -13.86506600
  H     17.30521905      4.82854089    -11.59591619
  O     19.12973055      9.73342588    -12.71401225
  H     11.75899887      6.91898545    -12.92300835
  H     14.89517222      5.14028703    -12.64588566
  O     16.03419424      8.62317833    -13.69443612
  H     15.14359446      8.43966598    -10.81854168
  H     15.26605228      4.57622027    -14.02328999
  O     13.02609596     11.36909533    -10.98026082
  H     16.62831195      8.94495949    -10.65512989
  H     19.20304967     11.25380688    -15.80518319
  O     12.25304370     10.58947957    -13.62038703
  H     17.64838871      8.85860054    -18.31042833
  H     18.18291703     10.14410370    -16.13731630
  O     18.14190626      4.56672076    -12.01512274
  H     16.50792777      9.01959901    -17.27721621
  H     12.91693556      8.31489193    -11.61078601
  O     14.51242478      4.87668386    -13.49422942
  H     11.38237804      4.27833919    -12.76209809
  H     13.16739223      9.53476933    -10.69890520
  O     18.47260328     10.75675501    -15.44327038
  H     12.79479166      4.87588061    -12.94622333
  H     18.30526509     10.18744305    -11.27616666
  O     13.33308593      8.58735588    -10.78054287
  H     17.13999463      7.59745027    -14.70130055
  H     18.41311947     10.55268985     -9.77590323
  O     17.78644331     10.38126941    -10.47315714
  H     17.73505516      7.58781803    -16.11947378
  H     16.87796021     11.32825242    -14.68272394
  O     16.05333670     11.39397138    -14.18469996
  H     14.47235161      8.29558529    -16.43704361
  H     15.31754830     11.46601576    -14.80669263
          69
 Ord_Energy   -250.173203    
 O   -2.46372700     -0.900580406       5.06364632    
 H   -2.22282553       4.08839807E-02   5.11615133    
 H   -3.40939021     -0.949408293       5.17917013    
 O    4.18088770       1.18555129       2.23209119    
 H    4.08577347      0.501149237       2.91065192    
 H    4.98920202       1.66730070       2.44810700    
 O   0.710297525      0.944304824       3.68467736    
 H   0.414304107      0.535508752       2.86107373    
 H    1.22672772       1.71865165       3.43021011    
 O    1.80709231     -0.358576775       5.78532934    
 H    1.41547024       6.36452734E-02   5.00216484    
 H    1.17315030      -1.02519846       6.07136679    
 O   -1.53745782       1.63773429       5.10538960    
 H   -1.22338033       2.12160230       5.88346529    
 H  -0.746500254       1.40986586       4.59250259    
 O    2.37940025       2.16439295       6.83063412    
 H    2.18778634       1.25892353       6.54960966    
 H    3.30058074       2.17282629       7.12037945    
 O  -0.114656843      0.235149905       1.14271116    
 H  -0.195607305       1.17535448      0.945011556    
 H   0.772313535      -5.05159497E-02  0.868741155    
 O    2.18849897       3.04462600       2.57347059    
 H    2.88720512       2.42282057       2.32187653    
 H    1.53083849       3.09775543       1.86970890    
 O  -0.139376566       3.09400892      0.981141746    
 H  -0.445090741       3.64326000      0.264218390    
 H  -0.614331603       3.38490343       1.78106332    
 O    2.47752881     -0.533643126      0.723519504    
 H    2.65703821      -1.35913312       1.19126248    
 H    3.13063526       9.60095003E-02   1.05253577    
 O    2.48075891       4.26165915       4.98436308    
 H    2.43285990       3.52101898       5.60695314    
 H    2.40584469       3.89480329       4.08950090    
 O    6.09461164      0.577160835       5.34405136    
 H    5.45032883      -3.98642085E-02   4.97035313    
 H    6.34831476       1.16280496       4.62068939    
 O    6.39920998       2.55842876       3.27245903    
 H    6.02025080       3.18168092       3.91791391    
 H    7.18586969       2.96839547       2.92328048    
 O    2.82650106E-02   5.41936111       5.28381252    
 H    6.92924112E-02   6.34682178       5.50235128    
 H   0.945967436       5.11675549       5.17217922    
 O   0.636871338      -3.12692714       3.57139182    
 H  -0.114952020      -2.76852465       3.07574964    
 H   0.434403658      -2.96003985       4.49659872    
 O    3.02649117      -2.79418731       2.39637494    
 H    3.34134793      -3.64055800       2.09120846    
 H    2.16033173      -2.95062208       2.81596565    
 O   -1.51169324      -1.82465541       2.43622112    
 H   -1.15837479      -1.10211289       1.89838624    
 H   -1.91206133      -1.42747748       3.21675754    
 O  -0.310385644       3.14208460       7.04313517    
 H   0.599175274       2.82938814       7.13335323    
 H  -0.258956879       3.98748374       6.58047342    
 O    5.15310812       2.17180347       7.32422400    
 H    5.50464201       1.54005015       6.67083788    
 H    5.68117476       2.07541180       8.11208153    
 O  -0.269584239      -2.23172617       6.18101692    
 H   -1.06231546      -1.79892159       5.82575321    
 H  -0.559087992      -2.77675772       6.90887880    
 O   -1.33022320       3.84829903       3.30981565    
 H   -1.61572337       3.11701298       3.87109518    
 H  -0.914297104       4.47978687       3.90962791    
 O    4.00843143     -0.854074419       4.15794039    
 H    3.76874185      -1.59043121       3.58091688    
 H    3.28691721     -0.748284519       4.79314518    
 O    5.29314661       4.11255741       5.21329737    
 H    4.36324644       4.34582281       5.09634829    
 H    5.32395029       3.57801580       6.01656199    
          69
 Energy    -250.17277059190081     
  O     12.89963705      7.65366038    -15.43073671
  H     12.45468002      8.43530000    -15.08303345
  H     12.41390913      3.83483023    -12.80640155
  O     10.89075045      9.68833345    -10.11097174
  H     13.83367632      7.72825623    -15.19680451
  H     12.99541067      5.87327246    -12.47760329
  O     16.58479689      5.26597416    -10.89049703
  H     10.41538468     10.39614485     -9.68401094
  H     12.63925240      6.20910953    -11.00870622
  O     14.95281658      7.53945426     -7.86376920
  H     11.55025410     10.10406862    -10.69561474
  H     10.55225423     10.08356401    -14.72985871
  O     18.32995214      8.09070821    -14.44293880
  H     16.53745548      6.20489568    -10.65692542
  H     10.89954983      9.07230858    -13.61282371
  O     12.66428873     10.65441737    -11.92691423
  H     17.51863672      5.06732580    -11.03225510
  H     20.03274020      4.48749190    -11.57321010
  O     15.66792112      5.06378262    -13.50291982
  H     15.07410453      7.78597615     -6.95066705
  H     19.04356857      5.03780192    -12.62957214
  O     10.94820496      3.55364132    -11.61424956
  H     14.01724927      7.70882070     -8.07625508
  H     13.97821931      7.96893656    -11.92938474
  O     18.80194648      7.90085453    -11.77207476
  H     18.50678131      8.10097772    -13.48481349
  H     15.01064284      8.48455342    -12.94776291
  O     12.05887370      5.23906850     -9.59270572
  H     18.94224166      8.70310298    -14.84134298
  H     14.82344928      5.67130857     -8.41430230
  O     12.33871680      7.80511400     -8.51204795
  H     12.25550083     10.52306884    -12.79069674
  H     15.32593699      4.80475146     -9.57824215
  O     13.03018625      4.23420945    -13.43274435
  H     13.44998338     10.08906805    -11.93055440
  H     16.02612819      7.90911771     -9.33458538
  O     12.84569504      6.60392806    -11.86703728
  H     14.81023060      4.62322086    -13.54295119
  H     15.83290119      8.32177888    -10.82096702
  O     11.28272087      9.69154784    -14.25714790
  H     15.92047061      5.10952455    -12.56891622
  H     18.43338766      6.14921305    -14.48035941
  O     19.28163895      5.06314198    -11.68512658
  H     10.41605010      2.76795412    -11.51981122
  H     17.43835875      5.02357295    -14.14126069
  O     14.61969731      8.67913639    -12.08608692
  H     10.42284796      4.18921104    -12.13337643
  H     10.40618562      8.49935577    -11.49164971
  O     14.65805301      4.84283795     -8.88116584
  H     18.07770789      8.04708448    -11.14888445
  H     11.30941258      7.46537850    -12.19498127
  O     16.47468743      7.96782730    -10.18719303
  H     19.09349775      6.99159409    -11.63186002
  H     16.48363341      7.91107967    -14.60390322
  O     18.38088799      5.21356809    -14.24916820
  H     12.94200572      4.93676931     -9.32145044
  H     15.56458986      6.74350161    -14.17394680
  O     10.46864429      7.94352255    -12.27823190
  H     11.65735258      4.56120262    -10.14726583
  H     11.98228807      6.20558826    -15.48753807
  O     15.55882525      7.65901091    -14.49320960
  H     12.05944102      6.92378497     -8.79645504
  H     11.32634408      5.11049910    -16.36209670
  O     11.47315339      5.37467777    -15.45797997
  H     11.83213537      8.44198629     -9.02762569
  H     10.18914949      5.39802967    -14.04083307
  O      9.71049127      5.39194893    -13.20189791
  H     12.51148987      4.51979433    -14.19767021
  H      9.76665203      6.29448726    -12.86169547
          69
 Energy    -250.16934667961334     
  O      2.08653559      0.68969292      4.37315072
  H      2.52729771      0.03769061      3.81540372
  H     -0.99815950     -4.28423957      1.26052637
  O      1.16083896      2.86653112      2.81927715
  H      1.84373764      1.43538425      3.81088473
  H     -4.09153471     -2.83356066      4.89928329
  O     -1.09043055     -3.50291705      2.97960513
  H      1.35349169      3.77547371      3.03459714
  H     -3.85572059     -2.45165835      3.41961304
  O      0.68798109     -0.79936696     -3.50712132
  H      0.20139380      2.74563046      2.94183919
  H     -2.82505593      0.59820800      0.29213017
  O     -2.01119240      2.43390153     -2.63598330
  H     -1.87824898     -3.42136257      3.52885997
  H     -3.07763222     -0.78797369     -0.38194525
  O      0.78488826      1.73353248     -2.52738068
  H     -1.01927995     -2.64111510      2.53907270
  H     -2.46828074     -0.77782332     -3.01429235
  O     -1.95825298     -0.05189745      4.40063654
  H      0.80564932      0.10239464     -3.15734352
  H     -1.18338899     -0.37080518     -3.74303463
  O     -3.72731417     -4.22219933     -0.26484486
  H      1.31111617     -0.89918367     -4.22193056
  H     -1.24466109     -0.55529297      2.82277892
  O     -1.77880077      2.06127308      0.14244121
  H     -2.12530260      1.53831651     -3.00211273
  H     -1.78527819     -0.77551319      1.38684655
  O      1.02622566      1.70990506      0.25250777
  H     -2.48153286      3.02833305     -3.21413673
  H      0.61514030     -1.92074623     -0.54339140
  O     -4.44535345     -2.36574307      1.80359467
  H     -0.09595393      2.11307724     -2.63043172
  H      0.35114863     -1.95210368     -2.06070430
  O     -1.10345451     -4.50851334      0.32632629
  H      0.99443807      1.81034583     -1.58637074
  H      0.45111334     -3.19891125      3.98551495
  O     -3.43527007     -2.49077681      4.29880571
  H     -2.53626725     -0.82480789      4.44939022
  H      0.85021650     -2.16079703      5.05790624
  O     -3.22978260     -0.26985989      0.42167930
  H     -1.23358622     -0.19917141      5.02449843
  H      0.54342723     -0.93627876      1.26526985
  O     -2.09991829     -0.10372725     -3.60135123
  H     -2.79800775     -4.41484096     -0.04238243
  H      2.06371545     -1.21872350      1.44568966
  O     -1.03086834     -0.94599438      1.96535714
  H     -4.11526439     -5.04009177     -0.56352573
  H      0.95824526     -0.04606195      5.44522694
  O      0.09858890     -2.37000662     -1.22703745
  H     -1.95472717      2.31097046     -0.77387964
  H      0.50419071     -0.38587382      6.88627407
  O      1.20809651     -2.81985236      4.45102270
  H     -0.82664047      1.89567973      0.19092300
  H      3.93107560     -2.00280208      3.02360742
  O      1.39493200     -0.97058066      0.79680196
  H      1.19652441      2.17044921      1.08262624
  H      2.45386853     -2.10157618      3.47744760
  O      0.30312635     -0.54501852      5.96797983
  H      1.24559689      0.77822471      0.39784562
  H     -1.70885927     -2.15486939     -1.47575206
  O      3.07892424     -1.58458886      2.93659135
  H     -4.17650707     -1.54049331      1.37651846
  H     -3.12155909     -2.78147521     -1.31192491
  O     -2.65172350     -2.00706532     -1.64350200
  H     -4.29508906     -3.05858220      1.14949838
  H     -1.81998625      1.65346908      3.49289916
  O     -1.50104336      2.41652903      2.99580008
  H     -0.55994769     -3.89496135     -0.18273978
  H     -1.80905312      2.32369374      2.08557283
          69
 Energy    -250.16915822406423     
  O     11.12590887      9.21685961    -15.81287488
  H     11.31230078      8.51405952    -15.18220381
  H     17.45022582      7.41253560    -14.00361060
  O     15.15562512      8.24002572    -11.15455704
  H     11.00819073     10.02658931    -15.29386931
  H     18.99821908     10.16396257    -14.15893653
  O     16.14968584     12.16523887    -14.39129927
  H     15.74605936      7.93615259    -11.85567384
  H     19.41329482      8.92286638    -14.96931235
  O     12.50871997      9.88332671    -18.03777123
  H     15.53434797      9.06438848    -10.82546306
  H     15.63102315     11.35698633    -10.55967020
  O     13.93108914     10.52065291    -14.12131316
  H     16.25593804     11.95495157    -15.32853810
  H     16.75046638     10.94305830     -9.57658205
  O     14.42405910     13.94684060    -13.12289426
  H     16.73840925     11.58514272    -13.88933101
  H     17.15771291     11.30057213    -17.26837143
  O     12.50315529      7.81053533    -11.30150989
  H     11.98914408      9.60207412    -17.26315534
  H     15.83334572     10.51089163    -17.14351683
  O     12.39762695     13.90137032    -15.18410505
  H     11.94214719      9.78548801    -18.79849083
  H     11.39212657     11.36343155    -13.35934526
  O     17.76511448      8.12154254    -17.60345123
  H     13.13918615     10.91619988    -14.50254431
  H     11.49723947     12.42366560    -14.50688445
  O     12.32237540     10.61378804    -11.85670930
  H     14.65043291     11.16219305    -14.18307846
  H     13.48832907     11.85095847    -11.01372827
  O     18.76597930      7.12859384    -15.28402325
  H     15.13195496     13.46865893    -13.57811387
  H     14.32947819     13.01776178    -11.57436000
  O     16.73619544      7.73457627    -13.44012648
  H     13.71232444     14.02636704    -13.76712026
  H     12.04719006      7.35681101    -13.00293329
  O     19.52300583      9.88056697    -14.91893890
  H     12.23118384      7.42187726    -10.47423596
  H     11.40823460      6.28920700    -13.91678302
  O     16.35869141     10.72419167    -10.41765634
  H     13.46815874      7.94207388    -11.24316031
  H     13.14111442     11.59579782    -17.46841178
  O     16.22127972     11.39303999    -17.05350208
  H     12.83229613     13.41651922    -15.90909947
  H     14.51454766     12.20937698    -17.14534475
  O     11.22659804     11.52006348    -14.29857727
  H     12.05997414     14.71051777    -15.55921459
  H     17.29846474     10.54204277    -12.01120267
  O     14.28325741     12.37300435    -10.85267589
  H     18.18680432      8.98380366    -17.70532417
  H     17.29546226      9.44652546    -13.10253423
  O     11.87446582      7.12204215    -13.92863927
  H     16.81365110      8.28075472    -17.66042697
  H     14.85121809      8.45300409    -16.54152282
  O     13.56539260     12.37992357    -17.10034049
  H     13.02258475     10.56571336    -12.52796667
  H     14.20707428      9.14854260    -17.75935201
  O     17.61167369     10.33934620    -12.90161357
  H     12.21318322      9.70965153    -11.54504866
  H     19.18149801     10.51363254    -16.50987411
  O     15.05336380      8.85845272    -17.39705971
  H     19.31425504      6.36858506    -15.45895452
  H     19.67766702     11.16027414    -17.82552082
  O     18.91995645     10.74976555    -17.41833085
  H     18.38963571      7.40670724    -16.13858572
  H     14.25468797      8.88794371    -14.59182746
  O     14.39677268      7.96481191    -14.86374506
  H     15.93294056      7.73870574    -13.98182715
  H     13.58628787      7.49694030    -14.63761270
          69
 Energy    -250.16906022076273     
  O     10.90567133      9.77536901    -10.36059085
  H     11.57482463     10.34483998     -9.93996725
  H     12.40573941     13.59376188    -15.85956951
  O     14.68553378     11.20221843    -12.89459870
  H     10.33559983      9.46020646     -9.66433787
  H     16.59510103     13.01729261    -16.06451999
  O     15.79907804     14.46062387    -14.97042760
  H     14.85968540     10.45769942    -12.30487483
  H     15.94613062     11.86938126    -16.84002006
  O     10.54618673     10.73513182    -12.96271201
  H     15.47472102     11.76059586    -12.90800491
  H     12.62126966     14.78682233    -10.28203729
  O     10.90083583     13.20819845    -16.73958210
  H     15.89519710     15.36761123    -15.25120448
  H     12.80302177     13.61063067    -11.27100514
  O     14.07027830     11.36515139    -16.89266654
  H     14.86975567     14.22122771    -15.12221279
  H     17.57195407     11.13202240    -15.20450710
  O     15.55556927     10.60891422     -9.28756199
  H     11.03161627     10.06219460    -13.46530218
  H     17.71672137     11.45852824    -13.71790386
  O     12.47567829     12.72995002    -12.77100325
  H     10.53450197     10.43750882    -12.04440093
  H     15.83360401     12.41266975     -9.93010069
  O     14.51914777      9.43092438    -14.98257810
  H     11.11061705     12.56143995    -17.42488245
  H     14.95289729     13.61752091    -10.30589712
  O     12.80640632     11.35048080     -9.27015281
  H     10.23687159     12.78757407    -16.17896452
  H     12.79548733      8.93845493    -14.66937201
  O     10.32651998      9.52519230    -16.54085455
  H     14.23867413     10.60569731    -16.31615298
  H     11.33068511      8.88861555    -15.18698355
  O     13.21219446     13.57048718    -15.32279260
  H     13.79818242     12.09956804    -16.32442845
  H     17.45899252      7.65022363    -13.97101293
  O     16.79657097     12.18974777    -16.51684630
  H     16.09326981     10.24387693     -8.58891669
  H     17.25170675      9.18491105    -13.96266138
  O     13.06430990     13.95040529    -10.39808113
  H     15.54610773      9.95174671    -10.00361007
  H     12.67784803     11.13233113    -17.96189536
  O     17.84205101     10.74716953    -14.35855577
  H     11.72380393     12.12818497    -12.83524197
  H     12.01484301     10.99408757    -19.35160947
  O     15.86156042     13.29394775    -10.32298153
  H     13.27097921     12.17064523    -12.76549873
  H     12.41635648      8.14851910    -12.69511396
  O     11.88140946      8.77981006    -14.39777992
  H     14.54342025     10.13950463    -14.31952021
  H     12.11460431      8.56402366    -11.24466321
  O     16.82779124      8.33053778    -13.75452897
  H     15.26787793      8.86579146    -14.76433835
  H     16.56146981     13.56774320    -13.47251525
  O     11.82239883     11.07068492    -18.42083863
  H     12.84258673     12.27453058     -9.54549899
  H     16.60943744     13.17600752    -11.94809021
  O     12.75230777      8.09013165    -11.79118318
  H     13.72322952     11.06147325     -9.18763524
  H      9.52770117     11.40198120    -14.27858291
  O     16.86812373     12.90433729    -12.84181635
  H      9.77896498     10.21571737    -16.14851576
  H      8.17128641     11.82479398    -14.88446263
  O      9.09428855     11.70392968    -15.09382645
  H     10.81008109      9.95588325    -17.25690393
  H     14.44001626      8.52547769    -11.53082488
  O     15.32052474      8.92301501    -11.42970916
  H     12.93352906     13.34793825    -14.42445336
  H     15.88114372      8.61127588    -12.15106835
          69
 Energy    -250.16881736306931     
  O     15.49947996     10.61296559     -9.47104766
  H     16.30943701     10.10916838     -9.67321622
  H     14.04761143      7.91382480    -13.97459652
  O     12.23173139      6.81834636    -11.44563058
  H     15.65335155     11.06172642     -8.64358004
  H     15.25549874      5.13039122    -15.73053929
  O     17.37890097      9.95700796    -15.12912506
  H     12.79941760      7.24440131    -10.78977071
  H     14.32047669      6.09383142    -14.93642728
  O     17.66752607      8.45700988    -12.79492720
  H     12.71444589      6.04622305    -11.76409783
  H     16.46135670      5.69110855    -14.00948273
  O     16.64841959     12.42314686    -14.02459774
  H     16.54584790      9.69033456    -15.54519842
  H     17.96529962      5.73428902    -14.34910846
  O     14.20558926      8.12057082     -9.90612059
  H     17.23398758     10.83895622    -14.76219760
  H     14.66008665      8.33553048    -11.69235859
  O     14.97012018      9.32705679    -16.40507813
  H     17.68898843      8.99026297    -13.60003572
  H     15.86794638      8.59723586    -12.63491340
  O     14.18497850     11.75785361    -15.42903516
  H     17.63518372      7.52742965    -13.06451271
  H     14.09017046      4.72629139    -13.34110254
  O     16.20925640      5.11804312    -17.31449634
  H     17.04904201     13.28823009    -14.00108214
  H     13.32784745      3.68647052    -12.49311039
  O     11.18268595      8.46843434    -13.33622392
  H     16.14521794     12.32881146    -13.19604473
  H     13.79062425     10.00284659    -12.91477411
  O     16.25550205      4.99448427    -11.18962146
  H     14.46192185      9.02700653     -9.69207213
  H     12.27717431     10.07267895    -13.14638541
  O     13.50057260      7.64830573    -14.73309197
  H     14.89691228      7.55276941     -9.53894128
  H     16.40719474      5.98490948     -9.80876312
  O     14.84654862      5.28208466    -14.86914066
  H     14.40281158      8.72100792    -15.91134275
  H     16.65541435      6.10514549     -8.28604329
  O     17.33428816      5.83815767    -13.62256947
  H     14.64083127     10.22061656    -16.22767781
  H     17.96817130      5.41964272    -16.49629680
  O     14.90462457      8.58504035    -12.59185167
  H     14.98762476     12.13997250    -15.05604463
  H     18.89612621      6.62992231    -16.27360806
  O     13.72637254      4.55344180    -12.45691027
  H     13.67331280     11.44234430    -14.67117053
  H     17.34159767      8.16277787     -9.68456009
  O     13.06388585     10.62409880    -13.07891655
  H     16.24899022      6.03508905    -17.64226313
  H     17.76006675      8.86247417    -10.99805650
  O     16.42258627      6.60945460     -9.06046050
  H     16.12391419      4.55661839    -18.08048314
  H     17.37127722      7.97668216    -17.82621953
  O     18.72262829      5.72709903    -15.97877179
  H     11.49465988      7.88062346    -12.62400241
  H     15.88041818      8.30705115    -17.62349331
  O     17.59907769      9.01565780    -10.05670508
  H     10.23323212      8.38973044    -13.36110845
  H     14.23238393     11.79154649    -12.17445990
  O     16.48185850      7.69525061    -18.07157889
  H     15.37316007      4.78540584    -11.51748408
  H     15.23667143     11.65415888    -11.01433628
  O     15.07189277     12.13078947    -11.83661869
  H     16.78259950      5.21409560    -11.96973685
  H     18.49332533      9.05160403    -16.21539215
  O     18.95538472      8.46780817    -16.83908948
  H     12.59709728      7.87057936    -14.48287246
  H     19.72422873      8.94491325    -17.14156108
          69
 Energy    -250.16764495711652     
  O     13.57941963      1.61778548     -9.41020305
  H     13.10251890      1.30372884    -10.18825857
  H     12.88900174      7.72028515    -12.30479326
  O     12.33463790      1.30916535    -11.99467733
  H     13.19109499      2.47639127     -9.19085561
  H     12.47299280      3.55183418    -16.12585333
  O     14.88944685      5.65997604    -15.65071477
  H     11.76655166      2.05462274    -11.74879473
  H     11.86183448      4.08813499    -14.79327028
  O     16.12752368      2.21553131    -10.12123429
  H     12.03313950      1.03354763    -12.86874911
  H     10.65433033      8.41543910    -12.64877871
  O     10.88661951      3.58421566    -11.40900571
  H     14.71381993      4.87644969    -16.18573291
  H      9.69354731      9.62959741    -12.59835990
  O     11.57100342      0.95704295    -14.70802013
  H     15.07419768      5.33237204    -14.75973339
  H     12.10285992      5.92345589    -13.20139558
  O     15.00961055      1.77595091    -12.69657892
  H     15.25732751      1.93742327     -9.78045986
  H     13.22014779      4.83694410    -13.21899839
  O     14.98616341      4.52428714    -13.10792206
  H     16.78575877      1.77857560     -9.58788269
  H     14.76268042      1.27173624    -14.47456908
  O     13.80204919      7.40576905    -10.80481362
  H      9.96830300      3.87634848    -11.44104284
  H     13.44979652      0.89146810    -15.18044199
  O     10.55841902      6.19806922    -15.97583594
  H     11.36166303      4.09521329    -12.08395060
  H     12.31906093      5.11962533     -8.97984505
  O      8.81312016      6.37598343    -13.80026292
  H     10.85329406      0.47296020    -15.10868190
  H     11.92530215      4.03199189    -10.00656102
  O     12.22332163      7.78106850    -13.00732850
  H     11.49755691      1.87467860    -15.02097210
  H     14.31291679      2.49764561    -16.43109286
  O     11.66765581      3.57280053    -15.59213621
  H     15.53663032      1.83088013    -11.89060446
  H     14.29965941      3.03070918    -17.88296401
  O      9.74552891      8.69266431    -12.43197566
  H     14.09485901      1.61722002    -12.41874905
  H     15.62829927      4.08997971    -10.21864887
  O     12.26521492      4.97603944    -13.28252967
  H     15.10097168      4.79030363    -12.18602165
  H     14.21809821      4.67149606    -10.01296508
  O     14.36905836      1.13419746    -15.34672402
  H     15.03976369      3.55896720    -13.10805082
  H      7.47848047      4.52506806    -11.64465550
  O     12.56841210      4.25021669     -9.31589412
  H     14.42757079      6.68735054    -10.65706353
  H      8.51740728      5.30043554    -12.49081229
  O     14.12553639      3.28044470    -16.97932445
  H     13.15769367      7.33465344    -10.08822438
  H     10.99828597      6.93266800     -9.25739461
  O     15.09676820      4.88164888    -10.36372970
  H     10.82992433      5.27420308    -16.03539333
  H     11.70483374      7.38265029     -7.95631011
  O      8.39444353      4.78694957    -11.67043495
  H     11.37415180      6.70966725    -15.92572108
  H     13.36423919      8.32776445    -16.27413787
  O     11.84158626      6.90539778     -8.77022329
  H      9.35868349      6.30235206    -14.59522535
  H     13.75544196      6.95676033    -15.67782443
  O     13.08225434      7.66035261    -15.65437095
  H      9.00781370      7.24129435    -13.42115628
  H      9.11788836      6.19995170    -10.58135814
  O      9.55478881      6.97130569    -10.20287214
  H     12.64716887      7.85577837    -13.87179287
  H      9.55499031      7.64086763    -10.89935625
          69
 Energy    -250.16463421376210     
  O     -7.22010301      9.61236648     -8.55016644
  H     -6.54906644      9.06285499     -8.98798093
  H     -6.42979418     12.49220724    -13.03201144
  O     -4.30681874     10.07717635    -13.50753806
  H     -8.06505439      9.19487870     -8.75202921
  H     -3.87853051     13.83788592    -10.83470923
  O     -5.32240563      8.00257597     -9.72234450
  H     -5.17493287     10.28082679    -13.12427463
  H     -3.05698382     13.13015139    -11.92279312
  O     -6.84609260      6.21978753    -13.16726380
  H     -3.89984740     10.92386572    -13.72489605
  H     -1.29613952      6.76890683    -12.33356231
  O     -5.86343721      6.42833565     -6.22758816
  H     -5.74371142      7.22222873    -10.10556425
  H     -2.46175071      7.58452552    -11.72700773
  O     -9.29459794      7.92143919     -9.37554601
  H     -4.72721605      7.67015028     -9.03584570
  H     -5.91566379     13.45226543    -10.18095487
  O     -3.59337248      6.95494296     -7.80969000
  H     -7.21327210      5.74909883    -13.91077560
  H     -6.15437557     14.96884207     -9.99677473
  O     -3.45665221     12.75367149    -13.78900427
  H     -5.99624717      6.59162204    -13.46369366
  H     -4.95770051      9.43363568     -6.38475053
  O     -3.26491104      9.07950017    -11.16983608
  H     -5.98616396      6.03751486     -5.36625960
  H     -6.41574654      9.39949649     -6.89769193
  O     -4.45492856      7.27227910    -13.87385442
  H     -5.92401483      7.39391071     -6.11227923
  H     -7.28532350      5.62384568     -9.08330771
  O     -3.15020461      9.68057370     -7.02921457
  H    -10.22281789      7.77381034     -9.21751444
  H     -7.18150996      6.04694815     -7.59957005
  O     -6.04584730     13.35724245    -13.23323180
  H     -8.81748051      7.17488152     -8.96943082
  H     -8.55135648      8.24113886    -11.12698340
  O     -3.06451135     13.34022148    -10.98108378
  H     -3.30042559      7.81691849     -7.48786336
  H     -7.76516455      7.69439762    -12.34947061
  O     -2.22242187      6.72315700    -12.10920374
  H     -4.29081710      6.65089222     -7.21089081
  H     -3.00990128      5.59826296    -10.78500775
  O     -5.74106286     14.32764284    -10.56877095
  H     -3.11022412     13.25444386    -14.52282122
  H     -3.37464261      5.67825834     -9.28619575
  O     -5.84784072      9.13804592     -6.15920786
  H     -4.38537618     13.02779406    -13.67582188
  H     -6.42720409      5.59234703    -11.48041131
  O     -7.80534150      5.92581357     -8.32343775
  H     -3.56842338      9.47220443    -12.00104530
  H     -5.28804526      5.23051015    -10.45566447
  O     -8.10828256      8.49886422    -11.94339066
  H     -4.04354065      8.70185701    -10.73125834
  H     -5.03468196     11.51506508     -9.51511654
  O     -3.52235456      5.16569383    -10.09077835
  H     -3.68099514      6.97065359    -13.38463207
  H     -6.50591246     11.11361153     -9.19239320
  O     -6.21894947      5.48673671    -10.54443602
  H     -4.39716801      8.23657482    -13.90462451
  H     -3.02602388     11.95621133     -9.83996425
  O     -5.95858733     11.75604896     -9.66468620
  H     -3.14810452     10.24851462     -7.81762394
  H     -3.11200336     10.41410546     -9.99261438
  O     -3.21111064     11.13760212     -9.35619789
  H     -2.48137227     10.03075312     -6.44508702
  H     -7.22370930     10.01102868    -12.17112681
  O     -6.64747819     10.78527912    -12.25524757
  H     -6.03753025     13.83810117    -12.39592128
  H     -6.42760822     11.08117434    -11.36346245
          69
 Energy    -250.16435734198188     
  O     10.62302886      8.93131147     -8.93204057
  H     10.53414350      9.70703719     -9.50326339
  H     11.80373678     10.87248323    -10.73011180
  O     13.49239937      9.16362766    -16.87474374
  H     10.89115808      8.21340387     -9.51526631
  H     12.86140997     13.36714887    -13.20385217
  O     11.75868099      6.98526052    -10.76705625
  H     13.89085191      9.15576212    -17.74093008
  H     13.45541028     12.10201541    -13.82582134
  O     14.28245421      8.39086280    -14.29313386
  H     13.12051446     10.05452807    -16.74632887
  H     16.92979797      9.85195102    -12.14801974
  O     12.78331500     12.60435237     -7.28553677
  H     11.67442825      6.04473253    -10.62883075
  H     18.14181004     10.73492176    -12.51972385
  O     12.25518106     11.56155722    -16.45854345
  H     12.66302448      7.22784551    -10.50525980
  H     15.61642018      8.02780462    -11.42387811
  O     11.70641601      8.27291600    -13.28075135
  H     14.13436310      8.55734945    -15.23304392
  H     15.63128143      8.14019810    -12.95873213
  O     14.90271994      8.88898490     -7.55618347
  H     13.40653079      8.27332280    -13.89552730
  H     14.47472470     13.80658282    -11.43710095
  O     13.56273966     10.54373873    -10.90444365
  H     12.62913787     13.24195623     -6.59405310
  H     13.89407102     15.19865825    -11.75662454
  O     12.43155402      9.75477789     -7.01361151
  H     12.38795291     12.96979687     -8.09763177
  H     13.94659841      8.86434013    -10.45328196
  O     15.90569546     12.92703248    -10.84808482
  H     12.42711351     12.11323571    -15.68545503
  H     14.52163808      8.14136572     -9.21686675
  O     10.85887215     11.09198122    -10.69058348
  H     11.31818078     11.33168601    -16.41556998
  H     10.13533738     10.80321650    -14.25113933
  O     12.69269730     12.70143112    -13.87922727
  H     11.33842600      9.16490368    -13.21550558
  H     11.31090213     11.54444312    -13.56198294
  O     17.23005292     10.77387127    -12.24314240
  H     11.60881798      7.83982355    -12.42486411
  H     14.28578624     11.94706156     -8.11857375
  O     16.18262555      8.25224813    -12.17290748
  H     15.31547415      8.52094235     -6.78034222
  H     15.11896850     10.64793290     -8.26457873
  O     13.66236632     14.27449519    -11.69724218
  H     13.99389066      9.14228417     -7.30259474
  H     14.59137834     10.08787713    -13.79660506
  O     14.22894300      7.99514819    -10.12509903
  H     14.05121009     10.98527308    -10.19683609
  H     15.65147191     11.04058321    -13.17874512
  O     10.62266714     10.87728341    -13.42254453
  H     13.97857741     10.77346168    -11.74375851
  H      8.78780450     10.46600974    -16.48060841
  O     14.97334594     11.52081756     -8.64894934
  H     11.74617041      9.43702772     -7.62064179
  H     10.00517665      9.59587560    -16.08002067
  O     14.73257709     10.98600043    -13.46618568
  H     12.40357649     10.71767515     -7.03905074
  H     11.32900282     12.73252730    -10.00805193
  O      9.62774667     10.49272787    -16.03134476
  H     15.71369087     12.54096608     -9.98157292
  H     12.40631419     13.79200526    -10.33742573
  O     11.81721538     13.48263210     -9.63982739
  H     16.44946434     12.27371094    -11.30234697
  H     11.80734564      8.32356596    -16.40550241
  O     10.95588292      8.12006239    -15.99892770
  H     10.54493568     11.05226453    -11.60271831
  H     11.14197993      7.99072900    -15.05858316
          69
 Energy    -250.16416701161438     
  O     15.98191788     10.88543789    -13.98276787
  H     16.79166922     11.37077344    -13.75871945
  H     15.34466004     13.90566146    -14.31489053
  O     16.21517788     14.54744261    -15.87753221
  H     16.20300848     10.39392433    -14.78273280
  H     19.92974391     12.34927469     -8.35900780
  O     19.30508978      8.86776129    -14.65453348
  H     16.66888269     13.76296879    -16.23695508
  H     20.03674467     12.96314380     -9.76892473
  O     20.69847735     14.19370592    -10.92068810
  H     15.73206459     14.93856079    -16.60091131
  H     21.64963898     16.13473512    -15.05365676
  O     15.69167350     14.19414650    -11.03913811
  H     19.90921593      9.62489107    -14.64703805
  H     20.21507791     16.35936291    -14.53245725
  O     20.94258067     10.12250285    -10.73527641
  H     19.29031815      8.53278279    -13.75133066
  H     21.62463966     12.83674904    -11.81238746
  O     16.84742065     11.83400225     -9.86117809
  H     19.83856277     14.36862067    -11.33321081
  H     21.86037682     11.31583880    -11.70961159
  O     17.23278886      9.67892498    -16.19335581
  H     21.27986096     14.92271793    -11.16945173
  H     16.80718620     10.41143775    -10.89889742
  O     20.17344241     13.47600452    -15.99480396
  H     15.37472665     13.93512734    -11.92407176
  H     16.41715548      9.97576735    -12.35187952
  O     22.32562049     16.19512117    -12.01447159
  H     15.00378197     14.72314565    -10.64497132
  H     17.56087726     11.50688716    -16.64420500
  O     20.66212350     11.26041273    -14.42069356
  H     20.37219905      9.43024885    -11.08949179
  H     18.58597666     12.67597723    -16.67196414
  O     14.98362464     13.45515394    -13.54180141
  H     20.39138242     10.69210785    -10.18588603
  H     23.04247721     14.47341508    -15.15040520
  O     19.61588056     12.25440566     -9.25616535
  H     17.75473362     12.05084102     -9.61214237
  H     23.37432181     14.88476306    -16.60500662
  O     21.13307822     16.63580914    -14.41053386
  H     16.44167366     12.64504037    -10.18964763
  H     17.77224931     15.26407948    -15.10866507
  O     22.10578236     12.10310673    -12.21837761
  H     17.97332191      9.33719983    -15.66036403
  H     18.48362939     15.14338852    -13.74077221
  O     16.96395066      9.74796170    -11.58943510
  H     17.04861429      9.02167491    -16.85878902
  H     23.31578658     14.81407385    -12.95794218
  O     17.65506748     12.45319679    -16.80116373
  H     19.64840219     14.12924484    -15.51050402
  H     23.23396845     13.28602035    -13.11487041
  O     22.65329226     14.77456962    -15.99144598
  H     21.03913107     13.87791035    -16.13995067
  H     19.04133284      7.31152660    -11.49792147
  O     18.61653453     15.40475298    -14.66357971
  H     21.86517462     16.41964704    -12.84349726
  H     18.31021536      8.65782283    -11.71610199
  O     23.57659951     14.08633327    -13.53532519
  H     22.71889844     17.00133803    -11.69156096
  H     18.14629205     11.14708470    -12.34053556
  O     19.14949395      8.18645569    -11.86257144
  H     21.26386418     11.53360029    -13.71478008
  H     19.16443809     11.58276942    -13.44273223
  O     18.38511455     11.85967414    -12.94403744
  H     20.55328505     12.00937378    -15.02243853
  H     17.39986257     14.52664911    -11.67039512
  O     18.25079382     14.42742092    -12.11253994
  H     15.11762162     12.51213000    -13.70660048
  H     18.28985198     13.50618622    -12.42179488
          69
 Energy    -250.16402526271574     
  O     15.85417634     13.09105270    -14.07947375
  H     15.24875176     12.61685835    -14.67649871
  H     10.23377794      8.13460454    -15.85757834
  O     12.76694105      7.75163299    -13.36794763
  H     15.87059973     13.99988770    -14.36888326
  H     17.52938135      8.69292382    -16.65484310
  O     17.24337484      6.40296356    -13.27687409
  H     12.05284723      7.86030280    -14.00642652
  H     17.48189442     10.16938638    -16.21599242
  O     17.93434815      6.88562316    -15.94581065
  H     13.50495959      8.29012387    -13.70074943
  H     14.67508421      9.97453966    -14.83532280
  O     11.76473287     11.05362415    -14.59217344
  H     16.31164411      6.16510904    -13.38225698
  H     15.66773424      9.20797735    -13.91397449
  O     16.38285581      7.43252315     -9.21707189
  H     17.51609909      6.05862172    -12.41639306
  H     13.96288938     11.95640547    -11.72724679
  O     13.01346119      8.63694218    -10.80809661
  H     18.71827883      6.41169595    -16.21294401
  H     15.24154374     12.52615444    -12.38848461
  O     17.15315385      9.17503160    -12.86202733
  H     17.81321736      6.70655384    -14.99945965
  H     15.82869964      4.81170803    -10.90683604
  O     13.02334279      8.20233297    -17.34720116
  H     11.42638318     10.18967075    -14.85614154
  H     14.71308454      4.86441064    -11.97101474
  O     13.69134845      6.39299570     -9.25702177
  H     11.84693655     11.04340540    -13.63024915
  H     11.55800207     11.53410578    -11.15607339
  O     15.12245799      6.85337774    -16.09812337
  H     16.27268578      8.31339737     -9.60056197
  H     12.41735036     10.26843276    -11.34259572
  O     11.06197158      8.42267927    -15.48382323
  H     15.48872506      7.10868244     -9.05468835
  H     14.70187020      5.79205846    -14.61003031
  O     17.21587231      9.56130542    -16.92338332
  H     13.13618320      7.89687383    -10.20132798
  H     13.84066892      6.26498542    -13.44205781
  O     14.85948551      9.11769140    -14.43433555
  H     12.86550338      8.25667839    -11.68837657
  H     18.32570485      5.11628072    -10.15756669
  O     14.88887593     12.16992989    -11.56372841
  H     16.69532858      9.35404005    -12.02857138
  H     17.25556215      6.23371084    -10.12241282
  O     14.87757527      4.70826855    -11.03166256
  H     17.28003323      8.22097345    -12.93031875
  H     15.02554873     10.62854487    -18.89238779
  O     12.17889646     11.11648456    -11.74980581
  H     13.54731979      8.94724095    -17.66608129
  H     15.71061573      9.99567128    -17.65887658
  O     14.53946185      5.63531246    -13.67015879
  H     13.67495886      7.55084708    -17.05457402
  H     15.49629688     10.65353200    -10.84682030
  O     17.62540854      5.51473363    -10.66682156
  H     14.04598959      5.74684806     -9.89390711
  H     14.75029252      9.31253755    -10.69351509
  O     14.85247998     10.28828148    -18.01875914
  H     13.24085048      5.89329358     -8.58128336
  H     17.29097711     11.87076539    -14.48874460
  O     15.62451263      9.71862541    -10.62607363
  H     16.06361065      6.74873353    -16.27720579
  H     17.76078481     10.48265037    -14.02099768
  O     17.84803176     11.12521363    -14.73899799
  H     15.04558448      7.67776040    -15.59025393
  H     14.33103299     11.25183217    -16.52459319
  O     14.20809058     11.59873197    -15.63280846
  H     11.72875869      8.34878971    -16.19067135
  H     13.28493395     11.47534011    -15.36052735
          69
 Energy    -250.16392169154841     
  O      0.91162985      1.35182637      4.77541261
  H      1.47574993      1.67798152      5.47274306
  H     -0.61321408      2.32717076      0.96260092
  O      1.40397602     -0.41983391     -2.92046922
  H      0.53356412      0.51307634      5.09672807
  H     -3.28667557      0.60951356      5.26995586
  O     -0.23816938     -0.94591983      5.63361421
  H      1.65159051     -1.27065237     -2.53679259
  H     -3.61285604     -0.90730042      5.21862575
  O     -0.84373794      0.15767268     -1.30792891
  H      0.52524667     -0.22462966     -2.56781948
  H     -2.61526481      2.11985241     -0.01036823
  O      2.10025539     -2.68376529     -1.29952447
  H     -0.20532475     -1.83943576      5.27450209
  H     -3.54960357      2.51310684     -1.18050043
  O      3.38834896     -0.77133049      0.16589873
  H     -1.17908412     -0.72009588      5.67813743
  H     -2.22400590     -0.14270471      3.53831806
  O     -2.99162957     -3.50721454      3.47397443
  H     -0.22970746      0.66725780     -0.75924486
  H     -1.21144948     -0.69100744      2.49564987
  O     -1.38154332      2.99611319      4.10015885
  H     -1.67767206      0.63953519     -1.29815328
  H     -0.75588807     -1.57380354     -0.73738380
  O      2.98723629      1.40800782     -1.67613274
  H      2.68785642     -3.41575443     -1.46715996
  H      0.30543299     -2.69665442     -0.75168716
  O     -5.52655510      0.32243196      3.17679816
  H      2.58182630     -2.06431577     -0.72274402
  H      1.65825929      0.71028077      3.16694852
  O     -5.06659036     -1.91465878      4.64967635
  H      3.42172738     -0.00341142     -0.41795201
  H      1.31562636     -0.52740805      2.30481907
  O     -1.49103472      2.37939722      1.36709479
  H      3.03135380     -0.44994486      1.00347123
  H     -4.35383323      2.94005321      5.21606687
  O     -2.89286532     -0.27132008      5.31819649
  H     -3.74811644     -3.04722251      3.85160530
  H     -3.03439037      2.57361815      4.50325455
  O     -3.12286354      1.76961494     -0.76291595
  H     -3.06435308     -3.42048253      2.51140243
  H      1.64293742      1.81059042     -0.43309053
  O     -1.92304897     -0.05154062      2.62713231
  H     -0.61376185      2.47028368      4.35502931
  H      1.27624998      1.25227392      0.96754477
  O     -0.56453135     -2.46292661     -0.40390668
  H     -1.37735559      3.01600827      3.13389440
  H     -1.39690231     -3.53576360      4.06082572
  O      1.87209134      0.26757065      2.33764840
  H      3.54724038      1.90376959     -2.26666655
  H     -0.21407508     -4.36882483      4.61400092
  O     -3.93017395      2.25249448      4.70849820
  H      2.46579603      0.79589739     -2.22628260
  H      0.02166844     -2.51819690      2.85675409
  O      0.92500348      1.73961417      0.20688555
  H     -5.13898761      0.14281672      2.30877893
  H     -0.09683322     -2.17785768      1.32100646
  O     -0.45584700     -3.49627721      4.31756113
  H     -5.03253693      1.05632365      3.55993972
  H     -2.29324524     -2.97370195      0.26462564
  O      0.16458544     -1.83772085      2.18689211
  H     -5.86207944     -2.25071103      5.05338520
  H     -3.56671910     -2.19301734      0.65465155
  O     -3.12253602     -3.04491364      0.75241547
  H     -5.32972482     -1.15626947      4.09837041
  H     -3.29227967     -0.31535253      1.49556094
  O     -4.04650655     -0.35226971      0.88497530
  H     -1.62758646      1.54726610      1.84990519
  H     -3.88420732      0.32246324      0.21644390
          69
 Energy    -250.16378290165835     
  O     16.86769021      9.22876337    -14.66891404
  H     16.82009397      8.26257732    -14.74094629
  H     19.60256605      3.85725568    -16.68364896
  O     14.15488916      8.15950053    -17.39703890
  H     17.50510955      9.39928692    -13.96764473
  H     18.37251466      7.73245842    -17.22273619
  O     17.91309495      5.08591625    -12.76939187
  H     13.48867815      8.60075118    -17.91665725
  H     18.98307548      6.30799311    -17.43374236
  O     18.76122146      4.63859781    -18.27011282
  H     14.05954774      8.48894881    -16.48402252
  H     17.34366789      5.97262847    -14.26085404
  O     12.74720799      6.43952454    -10.39902107
  H     17.35586461      4.30377344    -12.87839348
  H     17.74373718      6.58917511    -15.63574053
  O     13.97306022      4.86870220    -13.99325809
  H     18.82899651      4.86169395    -12.97372615
  H     15.02324806      9.32026295    -14.74854169
  O     16.86018008      7.26498202    -11.51963481
  H     19.03757969      4.39151731    -19.14976962
  H     13.98789356      8.42904013    -14.06750209
  O     17.33074683      2.23550056    -15.43718851
  H     17.87334704      4.26917595    -18.14304673
  H     15.27411703      2.46395882     -9.72019069
  O     12.67755685      4.01150449    -11.62582351
  H     11.93392909      6.68283093     -9.96610321
  H     15.29899361      3.94815293    -10.15550513
  O     20.18560102      7.47943429    -14.31489389
  H     12.60457540      5.56373780    -10.80137245
  H     14.54163535      6.42416692    -16.93610687
  O     16.20704442      3.59505342    -17.77107134
  H     14.10274299      5.71600390    -13.54091825
  H     15.63537189      5.90693790    -15.96794918
  O     19.76936354      3.44828207    -15.82930941
  H     14.10017740      5.04247170    -14.93297594
  H     21.32081137      4.30428757    -13.25052279
  O     18.99374634      7.08197573    -16.85861257
  H     17.25712465      6.45952657    -11.88812874
  H     20.32909690      4.25739662    -14.43906517
  O     17.00204686      6.43820790    -15.03299438
  H     17.46464196      7.97832422    -11.75201259
  H     15.28179677      3.71512757    -13.47786827
  O     14.11022660      9.00951794    -14.82943443
  H     16.82748571      2.43690321    -14.63734904
  H     15.74164623      2.94994064    -12.21438459
  O     15.12649739      3.04073765    -10.46476436
  H     16.84886545      2.62826914    -16.17314915
  H     15.97601611      6.25277306    -10.17524695
  O     14.89639990      5.62246662    -16.53275257
  H     13.40825410      3.53240193    -11.21504063
  H     14.51162595      5.99336391     -9.77178491
  O     20.54971145      4.72962410    -13.61468338
  H     12.96074210      4.19332379    -12.53228401
  H     15.17008105      7.34557434    -12.27476266
  O     15.97918035      3.13939099    -13.13092315
  H     19.91253846      7.43281468    -15.24054832
  H     13.68856435      7.13368771    -11.85890384
  O     15.40659710      5.63965159     -9.69320128
  H     20.40470519      6.57620764    -14.05628098
  H     19.32095606      8.51137942    -13.19802768
  O     14.26849534      7.27327185    -12.61784762
  H     15.68297871      4.31024915    -17.37105299
  H     19.38738414      9.70846871    -12.22221634
  O     18.78743157      9.07780828    -12.61101751
  H     15.60392688      3.06992839    -18.29154628
  H     16.08178677      8.63921961    -17.60847962
  O     17.00041017      8.88893118    -17.46055635
  H     18.97492406      2.92831660    -15.63137653
  H     17.02195566      9.23805517    -16.55797156
          69
 Energy    -250.16369392013837     
  O     10.96920205      9.14637807    -12.51065522
  H     10.03863769      8.96669327    -12.40714931
  H     15.24960124      8.93106693    -17.60797607
  O     16.51204334      7.89976334    -15.12192146
  H     11.44034656      8.33518283    -12.24826268
  H     19.11044525      9.57648513    -14.50480454
  O     16.96117011     10.48562070     -9.40011609
  H     16.11345416      7.82306730    -15.99771282
  H     17.97921076      8.97704934    -15.35040814
  O     16.31629488     12.23351771    -13.79439105
  H     15.99171291      8.55161385    -14.62477907
  H     13.30197859     14.04290389    -13.48488958
  O     13.14980050      6.96006797    -16.05283306
  H     17.36780191     10.80554265    -10.22808532
  H     13.26162145     12.56819800    -13.02775674
  O     17.20389460      7.72834827     -9.15816083
  H     16.97660329     11.21385903     -8.78532126
  H     15.53583084     10.57947165    -13.80467761
  O     15.98671542      6.15546141    -13.06335128
  H     16.69564277     12.28141532    -14.68205076
  H     14.96088759      9.68603310    -12.69107653
  O     14.62620465      9.81017485    -10.87750561
  H     15.46273961     12.68672883    -13.79243153
  H     13.11219874      6.90377797    -11.30900705
  O     17.56344670     11.94217377    -16.27705920
  H     12.84002328      7.79501186    -15.67311426
  H     12.63027746      6.31328532    -12.63950349
  O     18.31646148      7.15667006    -11.74493017
  H     13.82131439      7.20743662    -16.69891683
  H     13.14120138      4.40473312    -14.23756391
  O     15.28944108     10.63403797    -17.42979662
  H     17.16186032      8.69799899     -9.18589126
  H     13.36063629      5.84349208    -14.76203521
  O     15.27765950      7.95641599    -17.63986986
  H     17.55585697      7.49013479     -8.30394314
  H     17.43427262     11.67837354    -12.42848976
  O     18.66093753      9.66319851    -15.35337471
  H     16.23841406      6.71873672    -13.81103373
  H     18.58240943     10.67388588    -12.12418363
  O     13.68060681     13.18427279    -13.65491825
  H     15.18196885      5.70358729    -13.34725081
  H     19.20237430      8.49818990    -12.42560527
  O     15.10088794      9.73172633    -13.64468279
  H     14.60396919      8.84990332    -10.76531186
  H     20.60053517      9.14499442    -12.54339170
  O     12.35972267      6.88849320    -11.91295005
  H     15.36966649     10.13095815    -10.35533954
  H     12.77962704     10.95156464    -15.76267783
  O     13.47121161      5.26313860    -13.98648730
  H     18.02009960     11.13375764    -15.97787058
  H     13.29086087     12.33927611    -15.35627810
  O     17.97166749     11.30203030    -11.71927852
  H     18.19246571     12.44291864    -16.78892121
  H     15.60879942      7.13912149    -10.02768523
  O     19.67893391      9.28475511    -12.74512089
  H     17.61128263      6.68966641    -12.20976016
  H     15.27846948      6.76285260    -11.49351095
  O     13.13685618     11.77581583    -16.12241806
  H     18.00284470      7.28800285    -10.84262344
  H     11.91404073     10.76109121    -12.07978692
  O     14.88462946      7.06085724    -10.65916439
  H     14.51964623     11.08323748    -17.05092099
  H     13.28343632     10.94138887    -11.42462335
  O     12.58274719     11.42692230    -11.88158872
  H     16.06436863     11.11159396    -17.11599900
  H     13.44306150      9.50839252    -14.40305393
  O     12.57371909      9.37032381    -14.80837185
  H     15.57798931      7.72031842    -18.51279204
  H     11.93520233      9.32064388    -14.08740259
          69
 Energy    -250.16325042156564     
  O     11.87939253      8.79381022    -12.04346485
  H     11.91817668      9.72385290    -11.78945144
  H     18.77272540     12.41080082    -13.84270840
  O     17.19970117      8.29503231    -14.53774060
  H     12.09766161      8.78097740    -12.98510429
  H     13.88034383     12.90314283    -13.99291943
  O     17.64569982     10.84475434    -10.80572673
  H     16.75918742      7.62995194    -13.99168259
  H     12.70216196     12.22504460    -14.71631849
  O     15.73128375     12.89436005    -14.20574295
  H     17.92069942      8.67462246    -14.01835840
  H     15.43006851     11.05965615    -14.10615568
  O     16.38254306      6.90039119     -9.45182289
  H     16.68013351     10.76945750    -10.86105423
  H     15.98005271      9.59029797    -14.17287882
  O     15.65417488      6.47877675    -13.04245945
  H     17.93055910     10.23026619    -10.11830070
  H     19.49089534      8.10548230    -11.95185881
  O     14.96452942     10.55499459    -11.18784415
  H     16.38479373     13.06191964    -13.51544638
  H     19.23347877      7.86437851    -10.45539253
  O     17.15546579     12.48050928    -16.56505534
  H     16.20277750     12.89550654    -15.05006018
  H     13.69027748      5.49660834    -15.43568478
  O     17.70270017      5.36991708    -11.50594876
  H     15.55096158      7.16169171     -9.86928280
  H     14.61168016      6.31314704    -14.50372365
  O     15.15711352     10.83366529    -17.26066727
  H     16.78064409      6.25102396    -10.04401611
  H     18.13526319     13.89580781    -11.79641691
  O     15.72029815      8.14079795    -16.89706580
  H     16.33650579      5.98128461    -12.57378173
  H     17.81057214     12.38899589    -11.70979413
  O     19.10792284     11.83982086    -14.54493234
  H     15.14575493      6.96012891    -12.37346154
  H     18.54381707     10.00375042    -12.22797714
  O     12.94561252     12.67501058    -13.89860420
  H     14.10407269     10.98191116    -11.09884257
  H     19.21450713     10.32201950    -13.58601693
  O     15.25697481     10.14450520    -13.85265281
  H     15.07560226     10.38248325    -12.13787796
  H     17.57247886      8.13418382     -9.10948934
  O     19.46485718      7.41401624    -11.27678410
  H     16.46648372     11.86097221    -16.86911105
  H     18.57922733      8.75225698     -8.11111221
  O     14.03674831      6.37246186    -15.28491602
  H     17.40841663     12.99820951    -17.32459703
  H     11.67247559     11.01425705    -16.77098778
  O     17.82434200     13.15344167    -12.30887445
  H     18.38735360      6.06294355    -11.47980595
  H     12.51319747     10.24309845    -15.72736031
  O     19.03922316      9.60686116    -12.95668482
  H     18.15691388      4.53287996    -11.46465224
  H     14.62216308      8.75977903    -10.97644800
  O     18.29926941      8.77721416     -9.02228504
  H     14.24496345     10.96960058    -16.98544165
  H     13.35503214      7.97905646    -11.31229455
  O     12.45388241     11.07552034    -16.22701202
  H     15.32464354      9.88067662    -17.21252660
  H     11.79186397     12.18898105    -10.99756816
  O     14.27821005      7.85899101    -11.04956590
  H     15.09648764      7.48777410    -16.56417929
  H     12.53475947     12.00215996    -12.33969759
  O     12.37578240     11.59945030    -11.46709031
  H     16.40368722      8.19123577    -16.21332575
  H     13.19818640      7.99858308    -14.94611711
  O     12.93556433      8.88413888    -14.66820331
  H     18.52066307     11.97706242    -15.29801808
  H     13.74257169      9.33130512    -14.36597366
          69
 Energy    -250.16318706413404     
  O     13.25863881     13.64283472    -12.05256170
  H     12.76729392     13.00006583    -11.52849481
  H     11.91298179      8.84609650    -13.23745761
  O     17.99080318     10.53185720    -12.48519734
  H     14.03852346     13.87077327    -11.53014479
  H     16.20726587     10.60135894    -12.71496941
  O     12.09057014      8.98293184    -11.51049852
  H     18.31094943     10.16014628    -13.31819255
  H     14.89751466     11.23643049    -13.29144531
  O     15.78639187      6.41801133    -11.99549339
  H     17.94530367      9.79365205    -11.86293156
  H     12.80336545      9.91590540    -15.42677848
  O     13.97938740      7.26351863    -10.08739843
  H     12.07219191      9.85352555    -11.09515779
  H     13.59016730     11.24513064    -15.47075274
  O     17.66779095      5.65873719    -13.86640029
  H     12.72405780      8.44840635    -11.01791314
  H     15.30898230      8.40010764     -9.23814792
  O     14.23725524     12.54468013    -14.36645761
  H     16.41212671      5.93545582    -12.55303128
  H     15.71448114      9.87749429     -9.23812437
  O     16.57732618      7.69701976    -15.59936233
  H     15.28377474      6.98304020    -12.60456166
  H     19.14835961      7.62338391    -12.02503237
  O     17.75589492      8.17161254    -10.98788017
  H     14.60982459      6.86347357    -10.70928203
  H     20.57421612      7.10751643    -12.31547479
  O     15.54379030      9.62279214    -17.38196121
  H     13.60409730      6.54182137     -9.58688891
  H     17.08311058     12.75096865    -15.50735880
  O     17.56137591     11.23836899    -16.18364293
  H     17.34752462      6.19418105    -14.60398049
  H     16.99403199     14.28462915    -15.69230275
  O     11.91043294      8.71021758    -14.20254425
  H     18.47648353      6.08795314    -13.56278800
  H     17.31471357     13.46868733    -13.31053280
  O     15.24144777     10.54932915    -12.70518893
  H     15.03683736     13.01416779    -14.63404415
  H     17.82411688     12.37868298    -12.34425136
  O     13.37663709     10.45295833    -15.98440802
  H     13.82763723     13.02654531    -13.63235811
  H     16.00960287     14.73741410    -10.03704374
  O     16.03748888      8.99334012     -9.01742592
  H     16.28776723      8.21904968    -16.35748499
  H     16.37564096     13.79059342    -11.20473121
  O     19.74730193      7.33472665    -12.73357080
  H     15.87073457      7.80046802    -14.94431114
  H     18.04473488      8.60758776    -15.05110263
  O     16.75811639     13.57497516    -15.10084237
  H     17.33116185      8.49346117    -10.17961368
  H     19.31195903      8.53477339    -14.17128147
  O     17.52127704     13.29559869    -12.38371269
  H     17.11425506      7.56267010    -11.37883801
  H     11.79449366     11.77184587     -9.45583007
  O     15.68671948     14.00026673    -10.54741810
  H     14.74601234      9.89951137    -16.89562109
  H     13.17956230     11.46239085    -10.07080776
  O     18.80463393      9.12446690    -14.74180752
  H     15.31395507      9.62437352    -18.30724488
  H     15.01754567     11.01523433    -10.97956122
  O     12.23251797     11.55046867    -10.27443074
  H     16.88472289     10.72631685    -16.64464774
  H     15.27257112     12.26000849    -10.09014766
  O     14.95155656     11.34942013    -10.07084969
  H     18.15061257     10.59581296    -15.77123215
  H     14.79959739      8.97180478    -13.34693514
  O     14.58650291      8.10818238    -13.73344916
  H     11.09777244      8.25760178    -14.41140625
  H     13.66038720      8.14901161    -13.99553746
          69
 Energy    -250.16309432878833     
  O     10.97946531      9.16570846    -15.42660293
  H     11.16046201     10.11114939    -15.33183548
  H     19.22182352      8.16792713    -14.94184835
  O     15.43694263      9.07240569    -10.69436997
  H     11.11932378      8.76212582    -14.56232808
  H     16.65470704     12.06299107    -10.87604669
  O     16.36214327     11.91398030    -14.90318520
  H     16.02302957      9.82803780    -10.57676464
  H     17.73822061     11.59761717     -9.87428530
  O     12.18660939      8.66659210    -17.79981352
  H     15.87328436      8.50978481    -11.34597802
  H     16.88817690     10.15395129    -17.47637425
  O     14.05426942     10.63831101    -13.99097525
  H     16.94139949     11.39430063    -14.32657517
  H     15.54563705      9.56777083    -16.98008021
  O     12.58173684     14.10640922    -13.92457116
  H     16.27899810     11.44559323    -15.74606640
  H     12.08941343     12.65412522    -15.04812514
  O     12.68455103      9.40227663    -10.99515294
  H     11.71230260      8.78333282    -16.95634003
  H     12.44711270     11.77593151    -16.30381053
  O     17.24423767      6.91379196    -17.11734974
  H     11.56298137      8.29399100    -18.41687683
  H     15.54947336     13.71835645    -12.21783979
  O     12.99370093     12.08331075    -11.86805922
  H     13.33554721     10.96584942    -14.55047385
  H     14.60858163     12.85471919    -11.36837505
  O     18.38189240      6.44951159    -14.70106927
  H     14.86560542     11.07617056    -14.27373919
  H     11.91765023      8.42464994    -12.20120863
  O     16.62666012      7.79522899    -12.95774682
  H     13.54170580     14.22438688    -14.00254484
  H     10.96954518      7.24153254    -12.49819952
  O     19.42189951      9.08767781    -15.15706968
  H     12.20124962     14.97975787    -13.86686290
  H     12.95284994     10.44022773    -17.93319599
  O     17.26696966     11.33727698    -10.66108886
  H     12.60181634     10.35888180    -11.07691919
  H     14.30609423     11.13140477    -17.68346491
  O     16.00551776     10.39850070    -17.17067298
  H     13.62459222      9.23274869    -10.83039511
  H     17.75467792     10.69274908    -12.32091915
  O     11.99517688     11.78124541    -15.44437224
  H     17.70331464      7.68137345    -17.47869436
  H     17.36329758      9.43780513    -13.13685459
  O     15.49161447     13.25006425    -11.37884111
  H     16.31112694      7.16353952    -17.06352834
  H     15.75235610     13.47521859    -14.42757608
  O     11.55353778      7.86916074    -12.91491855
  H     12.62110977     12.78752437    -12.40845569
  H     15.92686528     15.00984612    -14.41347398
  O     13.35926356     11.30041465    -17.76436261
  H     13.40335798     11.46977367    -12.50006048
  H     14.47300246      7.86316732    -15.81105921
  O     17.79659185     10.30228579    -13.20271249
  H     17.95373497      6.53107841    -15.57241092
  H     13.84231625      8.10158374    -17.20654126
  O     15.37401965     14.30465463    -14.08595860
  H     18.80254229      5.59437810    -14.67914330
  H     19.29887369      9.59491003    -18.29299805
  O     14.68222163      7.96756755    -16.75031153
  H     15.74453375      7.72389662    -13.35127450
  H     18.92801264      9.35488005    -16.80946691
  O     18.56595713      9.40961109    -17.71254671
  H     17.21682091      7.23407424    -13.47492353
  H     13.25820198      7.65452928    -13.68432072
  O     14.10751183      7.92024824    -14.05356022
  H     19.00773201      9.61406011    -14.46092905
  H     14.11869450      8.89015666    -13.99127209
          69
 Energy    -250.16198965875105     
  O     14.53153395     12.61834230    -15.03046529
  H     15.46586470     12.48263716    -14.80746942
  H     15.75844478     10.94116764    -10.81875935
  O     19.24463154     10.00193316    -11.37943641
  H     14.04278747     12.04263099    -14.43183097
  H     18.88403515     16.43160922    -12.82241036
  O     20.04397657     12.65682550    -11.76312587
  H     19.60640566      9.65748458    -12.20386727
  H     20.21291991     16.79893409    -13.50572963
  O     13.59913478     10.87408725    -13.03034507
  H     19.54765588     10.91803895    -11.32782024
  H     20.29457731     12.22757548    -15.10611226
  O     16.73323988      9.32759271    -10.65891570
  H     20.56355773     13.42262335    -11.48802689
  H     21.52012485     12.77022837    -14.31771429
  O     17.66156998      9.42544859    -15.09537448
  H     20.30151498     12.46068450    -12.67430530
  H     16.04176307      8.96573796    -12.37506898
  O     15.59236307     12.77170764    -17.60593205
  H     14.14301571     11.24620713    -12.31147165
  H     14.94229040      9.50494098    -13.30753928
  O     18.65304273     15.33478530    -16.18189286
  H     12.73250270     10.71855534    -12.66460485
  H     15.99839415     14.46994712    -17.60739008
  O     21.46904153     15.01835416    -11.33360711
  H     17.65282080      9.56297596    -10.87654857
  H     15.81438410     15.85593214    -18.26719110
  O     18.95773034     12.61260120    -16.26270334
  H     16.76905373      8.76615025     -9.88931736
  H     21.24179420     17.21479886    -15.86621212
  O     17.51337119     10.58679582    -17.59204697
  H     18.52934676      9.28384807    -14.69889153
  H     20.12585152     16.16377844    -15.66811456
  O     15.27191182     11.73235373    -11.08315913
  H     16.97717143      9.10140681    -14.48787427
  H     16.46525984     15.63429132    -13.89478757
  O     19.79616883     16.69354735    -12.64108542
  H     15.07082817     12.64972173    -16.79932088
  H     17.89077099     15.45883616    -14.42826255
  O     20.91222516     12.01937183    -14.39163931
  H     16.19009127     12.01824546    -17.65655235
  H     21.91759212     15.08839633    -14.50390922
  O     15.71830719      8.93231875    -13.28457281
  H     17.84071940     15.49575528    -16.67915095
  H     22.18586093     14.57663834    -13.07979386
  O     16.19452222     15.41937158    -17.50954670
  H     18.85206805     14.39325865    -16.28896944
  H     21.01313414      8.80658240    -14.13990763
  O     20.92482342     16.54495227    -15.26571912
  H     21.88603765     15.45652004    -10.59720542
  H     20.58536525     10.29147706    -14.13591795
  O     17.39107029     15.59195804    -13.61317320
  H     20.84201621     15.65479357    -11.72327399
  H     17.26635525     11.13597595    -14.35651346
  O     22.29223756     14.34760579    -14.01136735
  H     18.66288239     11.98834565    -16.93420002
  H     17.22401025     12.40784215    -13.41899216
  O     20.27220672      9.38472751    -13.97491220
  H     18.29649670     12.54273208    -15.55222327
  H     14.65175810     14.50284449    -14.85156216
  O     17.14255483     12.09229234    -14.32761710
  H     17.54885222      9.91924031    -18.27225632
  H     15.27163411     15.55658954    -15.77709754
  O     14.95802125     15.41933121    -14.87539912
  H     17.51703456     10.11569962    -16.74097356
  H     18.29981417     13.18127887    -11.73959993
  O     17.37135028     13.39506284    -11.90285689
  H     15.94003072     12.40663124    -11.26494314
  H     17.35151955     14.21763264    -12.41263138
          69
 Ord_Energy   -250.161499    
 O   -1.36643159      -2.65052533       3.90648580    
 H  -0.701647520      -1.98419940       4.12508583    
 H   -1.05530190      -3.11231470       3.11825514    
 O   0.687999308     -0.195562199       1.51317191    
 H    1.08003747      0.654986739       1.28374803    
 H  -0.261354178      -9.77296904E-02   1.33898985    
 O  -0.819631338       3.41914058       2.42187786    
 H   -1.03406394       2.72027254       3.05352950    
 H  -0.221061856       4.02734280       2.88169670    
 O   -4.98975372      0.993563473      -1.20196700    
 H   -5.80699873       1.18611801      -1.65413833    
 H   -5.08801413       1.33197141     -0.294123113    
 O   0.155221656       3.13340735       6.09807253    
 H  -0.480718076       2.60214806       5.58965254    
 H  -0.211659998       3.23736835       6.97226572    
 O    1.04188573       4.74563313       3.91973996    
 H   0.795991778       4.33973598       4.76179647    
 H    1.83244443       4.27772856       3.62126327    
 O    1.29296339       2.43541193      0.818911612    
 H    1.01542461       2.19622254      -7.87073374E-02
 H   0.514844954       2.78282571       1.27698934    
 O   0.453532517     -0.536005855       4.21637917    
 H   0.613671839     -0.493316531       3.26118588    
 H    1.15243471      -9.16139036E-03   4.62939262    
 O   -1.38255107       1.54681683       4.44293213    
 H  -0.785119772      0.787446320       4.37617445    
 H   -2.25954485       1.24740601       4.17223787    
 O   -3.14445567      -2.42201447      0.808453560    
 H   -3.60081840      -2.36775398       1.65667403    
 H   -2.39363599      -3.01617384      0.945012152    
 O   -1.98807204      0.168695644      0.998108447    
 H   -2.37054610     -0.686103582      0.759082258    
 H   -2.12494707      0.783219397      0.267334491    
 O   -3.27253151      -1.24716055      -1.70541394    
 H   -3.91673708     -0.538409054      -1.59351742    
 H   -3.35745215      -1.80739200     -0.921410620    
 O    2.22343826       1.37780273       5.11560440    
 H    2.58103824       1.86746001       4.36458206    
 H    1.64932907       1.99764526       5.58143234    
 O    3.05128050       2.98527908       2.86095524    
 H    2.52263188       2.78511739       2.07046652    
 H    3.94280195       3.14124727       2.55883121    
 O  -0.620904446      -1.05784285      -2.39189935    
 H  -0.532944441      -1.30463588      -3.30959868    
 H   -1.57037222      -1.10250437      -2.18632507    
 O   0.625820518      -2.36996794     -0.206484362    
 H   0.246583149      -1.98296404      -1.00490105    
 H   0.826640785      -1.62613285      0.379272252    
 O   -2.45922637       2.19836617     -0.977589786    
 H   -3.31624055       1.84707963      -1.24883175    
 H   -2.63920403       2.94008756     -0.384988844    
 O   -3.01845098       4.12794590      0.984433770    
 H   -3.08864427       5.07867575      0.954917133    
 H   -2.23707581       3.92213821       1.52615941    
 O  -0.853418291      -3.93834519       1.39084685    
 H  -0.612964451      -4.85569811       1.29464948    
 H  -0.266619027      -3.43078017      0.801249385    
 O   -3.98782563      -2.18847203       3.52280474    
 H   -4.51417875      -2.75205803       4.08258200    
 H   -3.05290031      -2.36260724       3.74305701    
 O   -3.63642263      0.563815773       3.17405558    
 H   -3.02528167      0.484279722       2.42323971    
 H   -3.89142919     -0.338784158       3.40263748    
 O   0.191730395       1.58972991      -1.54517281    
 H  -0.712647200       1.92570961      -1.46875584    
 H    8.46919268E-02  0.681657970      -1.84934211    
 O   -5.04308414       2.10676193       1.28963125    
 H   -4.46449852       2.87854409       1.25448895    
 H   -4.72454786       1.58008850       2.03444171    
          69
 Energy    -250.16094202895636     
  O     12.75477954     13.08772368    -12.26750455
  H     13.23425888     13.10769563    -13.11369985
  H     17.76937206     11.96618371    -16.25227263
  O     18.51059378      6.97003070    -11.21275559
  H     12.06668840     13.74528710    -12.32583371
  H     12.04936199      8.38961792    -16.39937309
  O     17.46574207     10.83741536    -12.27400642
  H     17.81066390      7.56210464    -10.90883326
  H     12.52708847      8.54902926    -14.93844168
  O     12.47132063      8.03836817    -13.25872362
  H     18.06655840      6.27242034    -11.71057067
  H     15.15303535      9.73398356    -14.10618103
  O     15.05462497      7.00146348    -12.57596116
  H     18.14166528     10.57612985    -12.91357510
  H     14.33362019     10.29191322    -12.89566863
  O     17.15934237      5.21648187    -13.04504637
  H     16.61435772     10.79929900    -12.73811347
  H     13.62340984     10.43850762    -16.47092722
  O     14.27445914     12.89172029    -14.52568531
  H     12.42900749      8.80495728    -12.67038114
  H     14.09768725     11.86762328    -16.11036054
  O     17.74326439      8.70860689    -16.17681633
  H     13.23560531      7.52756072    -12.96277085
  H     19.79403376      7.57345449    -12.24510303
  O     16.36409668      8.76021357    -10.78517861
  H     15.45687352      7.61393168    -11.94431435
  H     21.30274331      7.63977427    -12.58187225
  O     16.79984665     10.96230484    -17.57747865
  H     15.68542159      6.27978326    -12.70017901
  H     16.88238175     14.07505555    -13.21067852
  O     18.79708381      6.45232509    -14.82749312
  H     17.22854524      4.27134975    -13.14945644
  H     17.24602148     13.62604289    -14.64142599
  O     18.23872424     12.39662991    -15.52752949
  H     17.70489129      5.61663798    -13.74603496
  H     18.15636702     13.72865998    -11.02968196
  O     12.71896562      8.80181428    -15.85941215
  H     14.58516220     12.02281434    -14.22503952
  H     17.47271702     12.50917133    -11.69164497
  O     15.06347018     10.47868835    -13.49961980
  H     15.04637015     13.47642560    -14.46963922
  H     15.67011530     13.15284835    -10.63321606
  O     14.19602219     11.15783572    -16.75897611
  H     16.88793224      8.45913707    -15.79185284
  H     14.15262711     13.07035958    -10.93627553
  O     20.43711097      7.84651222    -12.92358235
  H     17.54285362      9.42198133    -16.79461238
  H     19.77641857      9.36410475    -13.78257393
  O     16.63157634     14.17960336    -14.13441597
  H     15.74573951      9.20178019    -10.19158188
  H     18.73112383      9.56197459    -14.90687859
  O     17.33609990     13.43218014    -11.41621043
  H     16.82480845      9.46627041    -11.26205357
  H     12.68729162     11.24845141    -11.86400692
  O     14.82374194     12.85128627    -10.27922511
  H     16.84214663     11.27293736    -18.47842755
  H     13.32263923     10.24571515    -10.85948694
  O     19.23402661     10.02952107    -14.22339806
  H     15.86627017     11.01842496    -17.30954788
  H     14.21932404     10.33991597     -8.46312557
  O     12.87862174     10.31325669    -11.71456752
  H     19.47097193      6.87192656    -14.27824107
  H     14.65589564     11.25678565     -9.63303155
  O     14.47300833     10.33225063     -9.38218891
  H     18.49567888      7.13304977    -15.44256599
  H     15.22018738      7.68247289    -14.24221194
  O     15.32302089      8.16443623    -15.07499852
  H     18.73172780     11.69853199    -15.08156330
  H     14.45158107      8.25365605    -15.48096228
          69
 Energy    -250.15978208217177     
  O     19.82202968      9.38999473    -15.03022129
  H     19.63244813     10.01165214    -14.31651318
  H     15.74388242      9.08813588    -14.08058577
  O     21.07863606      7.04066940    -11.00144450
  H     18.99039461      9.22005873    -15.48849140
  H     17.95379554      6.77418261    -11.91208617
  O     15.43831466      9.35154948    -10.51761369
  H     20.74535349      6.15991480    -10.80124978
  H     18.96452764      7.11204699    -13.06380769
  O     12.58509528      9.40299054    -13.91154488
  H     21.11120654      7.08722226    -11.96896951
  H     14.55669948      6.31404066    -12.73050876
  O     17.40990882      8.66454356    -16.46215318
  H     14.54039170      9.68349785    -10.63830963
  H     13.38682126      6.27718604    -13.74877798
  O     11.59975505      6.87639376    -13.66604759
  H     15.92856977      9.53233582    -11.33492836
  H     16.77452508      8.90738388     -9.39376512
  O     17.54511182      6.06325355    -10.25152025
  H     12.70203790      9.72758233    -13.01077163
  H     17.45134141      8.81782478     -8.00719000
  O     14.91769385      6.61400145    -10.97450336
  H     13.46886943      9.30706343    -14.29012380
  H     19.79401725      5.28345947    -15.91627038
  O     19.78109086      4.46575081    -10.66759885
  H     16.59471739      8.65495053    -15.93655231
  H     21.15482289      4.57971067    -16.13993486
  O     20.68033767      7.14870033    -13.73178863
  H     17.19611472      9.10670085    -17.28120048
  H     12.10491562     10.48155626    -10.63518793
  O     19.15694405      3.83351592    -13.23890882
  H     11.86151046      7.80181022    -13.82354161
  H     12.46539957      9.00674663    -10.93914886
  O     15.20296091      8.66932570    -14.76799759
  H     10.83679659      6.70619901    -14.21117812
  H     19.04972496      9.21284204     -9.96780849
  O     18.03272352      7.12920682    -12.80674857
  H     17.71100011      6.82087131     -9.67601755
  H     20.28511769      8.62272817    -10.67909317
  O     14.34575625      6.21581855    -13.67117179
  H     18.31423823      5.47883711    -10.23346499
  H     19.64571381     11.86175731    -12.56649583
  O     17.55674947      8.57385521     -8.92369537
  H     15.74278918      6.19449175    -10.69897163
  H     19.50135232     10.45089391    -11.94651359
  O     20.58672466      4.93970976    -15.46487467
  H     15.05274099      7.55979017    -10.82400115
  H     15.87964786      5.27055446    -14.15177270
  O     12.75387071      9.92925223    -11.06360127
  H     19.57972038      4.20996913    -11.58584078
  H     17.25920475      5.83318923    -13.77324112
  O     19.75700081      9.42966612    -10.58330957
  H     20.16695536      3.70028368    -10.25033586
  H     18.03794787      6.84532486    -16.54078581
  O     19.26531812     11.00121853    -12.71712939
  H     20.49800825      7.94461479    -14.25430590
  H     17.66904504      5.53966871    -15.81232437
  O     16.82453530      5.09679947    -14.23318201
  H     20.76917726      6.40745490    -14.34186340
  H     11.84651729      7.02004518    -11.77230609
  O     18.27248000      5.91340354    -16.47071169
  H     18.26752342      4.06127698    -13.53957950
  H     13.02571149      6.85994736    -10.78951125
  O     12.16144518      7.27890283    -10.89658124
  H     19.74167784      4.08540447    -13.96390950
  H     17.60597291     10.23760281    -12.82143225
  O     16.88671068      9.59488903    -12.81760206
  H     14.96096918      7.78911255    -14.44651276
  H     17.30559107      8.71775007    -12.82757490
          69
 Energy    -250.15953549195726     
  O     12.09960930     10.53455761    -15.28348538
  H     12.79444978     11.17345024    -15.47579893
  H     19.97084792      7.19459060    -15.38147970
  O     15.97202816      6.87905199    -12.69970585
  H     12.34371263      9.71990343    -15.74716695
  H     15.08492674     11.63819313    -16.01608689
  O     17.79194505     10.76018013    -12.53472582
  H     16.86520712      7.16035212    -12.46804044
  H     14.46719817     13.05165114    -16.11553884
  O     16.31338815     10.38325556    -16.37717189
  H     15.66038111      7.52007706    -13.36133110
  H     14.99465185      9.59318089    -13.93850984
  O     12.55005588      5.75291621    -14.96411868
  H     17.90518150     11.04112660    -11.61846346
  H     14.32720090      8.59615989    -14.95933517
  O     15.17940441     10.76731768     -9.17889895
  H     16.87021919     10.95277844    -12.76063088
  H     11.39973047     10.16446024    -13.75551232
  O     14.05465626      7.61915210    -10.87721648
  H     15.96780594      9.72709427    -15.75309776
  H     10.14894245     10.18376207    -12.84398188
  O     15.13186018     11.22942619    -13.11676618
  H     17.22967369     10.53202396    -16.10392714
  H     18.28041455      8.15576454    -10.47385489
  O     17.18086833      6.18132162    -16.53217826
  H     12.32983353      6.22942194    -14.14274887
  H     18.08151330      9.39491049     -9.58241863
  O     15.54912797      7.99842144     -8.53041471
  H     11.86933809      5.09739275    -15.09102682
  H     12.62356973      7.22566890    -12.01792497
  O     15.34721416      5.19808298    -14.81450522
  H     15.21486360      9.86592511     -8.83368687
  H     11.59178559      8.06254019    -12.80183603
  O     19.14321029      7.55829486    -15.07320487
  H     14.46904281     10.77046907     -9.83214208
  H     18.97824838      9.49484247    -15.18259258
  O     14.38795591     12.21679490    -15.66140595
  H     14.73694779      7.30098810    -11.48757751
  H     18.56198028     10.66467962    -14.27057960
  O     15.11698653      8.77085033    -14.43132431
  H     14.46532785      7.64925653    -10.00498419
  H     18.21422498      8.99246533    -12.42696351
  O     11.05872844      9.90158504    -12.88127861
  H     14.43689943     11.04052867    -12.47048997
  H     18.79436776      7.80305272    -13.22322450
  O     18.01351047      8.43156766     -9.58784663
  H     14.76767223     11.73722122    -13.85110956
  H     18.11650206     11.98176741     -9.21341073
  O     11.98651602      7.18470602    -12.74295871
  H     16.51468647      5.80920341    -15.92611075
  H     16.83640798     11.18784991     -9.56710087
  O     18.78075978     10.43911396    -15.18496187
  H     17.39485216      5.48914936    -17.15367768
  H     15.78787576      8.96893491    -17.57339297
  O     18.46231965      8.05770156    -12.35449122
  H     15.62332817      7.54447235     -7.69547933
  H     16.02826315      7.46049676    -17.41252225
  O     17.78393602     11.28437339     -9.77181931
  H     16.45045900      8.06763237     -8.89404989
  H     12.47066287     10.25383302    -11.73028382
  O     15.41886984      8.10367151    -17.79420941
  H     15.58549663      5.60915473    -13.97126537
  H     13.59417164      9.36242637    -11.15022482
  O     13.32287908     10.28422861    -11.27825719
  H     14.39254099      5.30421915    -14.90043733
  H     13.82457794      8.07761336    -16.93068973
  O     13.10183518      8.16813445    -16.29150460
  H     18.44352796      7.10871034    -15.57158662
  H     12.86321817      7.28862394    -15.97411515
          69
 Energy    -250.15900010269769     
  O     18.00026508      8.49188571     -9.86439627
  H     18.29895239      8.97937569     -9.08755373
  H     17.74544290     11.64543519    -11.09397010
  O     15.24482199      8.45780584     -9.30669234
  H     17.03431859      8.51971172     -9.84436154
  H     18.37672962      9.27133288     -6.96329722
  O     20.53919036      3.69494842    -12.36805039
  H     15.47487452      7.78207524     -8.64927965
  H     17.56112038     10.40582253     -7.68774462
  O     21.70041114      7.43257285    -11.32457122
  H     15.30654347      9.32320428     -8.88689475
  H     19.04743305      8.62725471    -12.76810090
  O     19.62782413      6.15454058    -15.06941413
  H     19.70065100      3.70570083    -12.84537452
  H     18.99809476      8.82552758    -11.23381184
  O     22.40378164      8.66660986     -8.90906128
  H     21.11560647      4.30530347    -12.84472870
  H     22.96187251      5.82578826    -13.84259006
  O     16.27982421      6.50569355     -7.67350846
  H     22.07641174      7.84640969    -10.53770700
  H     22.01645391      6.42488445    -12.77905257
  O     20.60827111      6.77168177     -7.70987411
  H     20.96848393      7.99873893    -11.61090609
  H     17.53268363      4.61266478    -13.35031730
  O     18.50587577      7.58462144     -6.20662397
  H     20.49287102      6.09309434    -14.64649683
  H     17.55723418      3.35381622    -14.24354616
  O     17.89195416      5.72387863     -9.87134192
  H     19.14731552      5.36137068    -14.79696382
  H     16.74536819      9.24359847    -13.58565046
  O     15.95823300     11.05925851     -8.43298475
  H     21.83863872      9.46045197     -8.90885421
  H     15.72351944     10.28421929    -14.08603305
  O     16.80114175     11.48433862    -10.97943387
  H     23.23056458      8.91679815     -8.50538827
  H     19.97186619     10.62801573     -8.34168923
  O     18.44272817     10.03476634     -7.55277328
  H     16.97442749      6.84061360     -7.09361579
  H     20.40122898     11.19785810     -9.71363092
  O     19.53900636      8.99490103    -12.02311721
  H     16.74048801      5.99672110     -8.35426167
  H     14.78839616      7.95535643    -11.00208725
  O     22.05111494      5.84689490    -13.55874106
  H     20.60087853      6.06317500     -8.36567442
  H     15.06189490      8.51988671    -12.40666446
  O     18.11332557      4.03529259    -13.87416668
  H     21.24845999      7.41804216     -8.02997889
  H     18.48345850      7.38042278    -14.44806831
  O     16.11161253      9.91936022    -13.29343212
  H     18.66653570      7.33314885     -5.30080721
  H     17.43909084      7.17985922    -13.32758267
  O     20.73873740     10.78545693     -8.91070592
  H     19.26083415      7.25280707     -6.72645099
  H     20.07200170     12.19067486    -12.06227427
  O     14.77289881      7.72659583    -11.94281186
  H     18.79072647      5.37287171     -9.90241266
  H     19.66690052     10.73464648    -11.72889491
  O     17.85885876      7.85487467    -13.88029242
  H     17.99305121      6.68608988     -9.81300071
  H     15.89248759      6.36473894    -12.23778623
  O     19.63406083     11.65247307    -11.40742958
  H     16.23651520     11.25421503     -9.34719617
  H     17.07782268      5.69851010    -11.47774748
  O     16.68118465      5.81418843    -12.35296218
  H     15.41825700     11.79126347     -8.14747040
  H     20.96332795      5.93670100    -10.45057280
  O     20.59809104      5.14508006    -10.03311585
  H     16.52512666     10.96785970    -11.74653351
  H     20.58699867      4.47328179    -10.73046576
          69
 Energy    -250.15885126478960     
  O     11.42618254      9.65206705    -12.09065798
  H     11.83782161     10.49438862    -11.86846059
  H     18.40457399      8.83744799    -15.58415241
  O     16.48200480      6.50025927    -13.81967416
  H     11.73075159      9.44430776    -12.98576058
  H     13.10910268     10.96546983    -14.66090767
  O     17.71979502     10.40215595    -10.86847130
  H     17.44153119      6.42843811    -13.76240123
  H     14.46216719     11.69718617    -14.72121960
  O     16.19890220     11.02928679    -15.04174091
  H     16.10666807      6.11416588    -13.01589383
  H     15.71904307      8.14277743    -13.57695039
  O     12.57679649      6.47570678    -15.47607943
  H     16.75305708     10.41566865    -10.85828667
  H     15.60973986      9.65001195    -13.98666314
  O     16.54296221      6.83273946     -8.36092622
  H     17.99239138     10.68601904    -11.74776686
  H     11.55646184      8.19673603    -11.18536493
  O     15.28965758      5.59785961    -11.51201251
  H     16.45204041     10.43140351    -15.75837026
  H     10.88883461      7.15653323    -10.25387591
  O     14.94058722     10.16521261    -11.00781427
  H     16.99636136     11.23078256    -14.53444740
  H     19.03814200      7.01763541    -10.40100451
  O     16.94142172      8.98664503    -16.83419769
  H     12.65822085      6.18188015    -14.55035765
  H     18.52879983      5.57187439    -10.56166628
  O     17.16647807      4.56415550     -9.68363128
  H     11.93086443      5.90699102    -15.88604206
  H     13.65348465      5.53872073    -12.46324170
  O     15.29852913      6.90921016    -16.27872018
  H     17.24184699      7.45883624     -8.59033688
  H     12.33406839      6.26770375    -12.17834452
  O     19.06278163      8.94653557    -14.88711471
  H     15.72872248      7.17468053     -8.75531600
  H     18.81228750     10.37732661    -13.95814547
  O     13.54145210     11.80409139    -14.44890505
  H     15.88949179      5.09009924    -10.95337841
  H     19.27791450     11.80586337    -13.58348683
  O     15.22836495      8.96000827    -13.42756307
  H     15.00688725      6.35992751    -10.98539435
  H     19.27463201      6.37825600    -12.65304218
  O     11.69234473      7.34534558    -10.73081390
  H     15.03205815      9.70781141    -11.86022810
  H     19.86577601      5.73447398    -13.92921773
  O     19.11441490      6.22980862    -10.95444641
  H     14.29794795     10.87063687    -11.14450444
  H     19.32216533      8.87326318     -8.68557946
  O     12.80440031      5.77137976    -12.85898048
  H     16.31429016      8.25706408    -16.68336697
  H     18.35791903      9.17604939     -9.85445799
  O     18.54912746     11.19630157    -13.49911721
  H     17.09686566      9.02058059    -17.77448902
  H     13.54427788      9.00491093    -14.11420884
  O     19.27986178      6.42315987    -13.62646733
  H     16.93871597      5.32313078     -9.11420140
  H     12.49742876      8.29019455    -14.98573459
  O     18.69292657      8.46757785     -9.27609990
  H     17.23171770      3.80198294     -9.11547666
  H     14.55819285      8.59624339    -10.19323788
  O     12.67382447      9.11848531    -14.52669456
  H     15.72468609      6.62259641    -15.45708344
  H     13.41626171      7.55585838    -10.05994040
  O     14.35745671      7.69680719     -9.89821737
  H     14.35528808      6.77387736    -16.13717383
  H     13.19532657     12.04297086    -12.74804818
  O     12.99343588     12.04219558    -11.79482016
  H     19.18321403      8.08530511    -14.46860031
  H     12.73415641     12.93106156    -11.56885371
          69
 Energy    -250.15854265477194     
  O      2.48582476     -0.77545582      5.28494436
  H      2.19928921     -1.04248943      4.40134770
  H     -1.68532942     -0.58278546      3.76337785
  O      2.27702196      2.71082254      7.76966030
  H      2.47913328      0.19119908      5.28660165
  H     -1.33431021      2.13251164      1.40523433
  O     -2.61111275     -3.62365039      5.52451926
  H      1.34825086      2.96769082      7.82001823
  H     -1.08025574      0.89396797      2.29259420
  O     -2.20726664     -1.55399004      9.27004168
  H      2.40037503      2.04002836      8.45165547
  H     -0.83765641      2.34682764      4.00592326
  O      1.87602870     -4.92850001      5.70339017
  H     -1.83596044     -3.81151666      6.07353002
  H     -1.31590459      1.48661349      5.19216668
  O      1.43290818     -1.22611276      2.73986215
  H     -3.12929821     -2.97851016      6.01748558
  H     -1.09119786      3.90417192      7.76637806
  O      0.94048097     -3.90470760      3.38185226
  H     -1.67566217     -0.74701860      9.24244463
  H     -0.69727445      2.93374698      6.63191020
  O      3.26650007     -2.80536283      7.05536802
  H     -1.59503497     -2.25688695      9.51842639
  H      1.11639224      1.70966404      2.15993190
  O      2.11862329      0.70248361      9.85317084
  H      1.57835119     -4.58116674      4.84300629
  H      2.22672848      1.73114016      3.22410310
  O      2.14723817     -2.16000953      9.48951417
  H      2.25862395     -5.78533316      5.53532958
  H     -0.00200258     -2.09470437      6.81691478
  O     -0.15761555     -3.48446647      9.81705633
  H      1.78872076     -0.36976117      2.46159000
  H      0.98030045     -1.03848514      6.22013266
  O     -1.38414502     -0.80130694      2.86919400
  H      0.47695137     -1.10170819      2.80518358
  H     -2.41148900     -4.17106007      2.43825521
  O     -0.85179582      1.83078309      2.17108299
  H     -0.00749409     -3.89157996      3.20626870
  H     -2.18667359     -3.59775251      3.85917316
  O     -0.80469684      2.27966358      4.96732027
  H      1.27495893     -3.05530030      3.06484735
  H     -0.17097209     -0.04840080      8.04561088
  O     -0.59684139      3.10922751      7.58205951
  H      3.16988559     -2.06976591      6.43546057
  H     -0.58166421      1.41602588      8.39986569
  O      2.02791365      1.44028524      2.32389752
  H      2.90511834     -3.57465774      6.60074713
  H     -3.28257914     -1.58494323      7.89562028
  O      0.12876913     -1.15095480      6.66163242
  H      2.12390298      0.99773250     10.76133932
  H     -4.73979638     -1.50950022      7.38692223
  O     -1.88128333     -3.55321518      2.93414897
  H      1.18592396      0.63993309      9.58534107
  H      0.44839580     -4.33191547      6.69074157
  O     -0.41084734      0.54447847      8.77648276
  H      2.29331640     -1.21836354      9.62125994
  H     -0.25554314     -3.90181864      8.02788116
  O     -3.83398695     -1.55257668      7.09308478
  H      2.60211145     -2.39971377      8.66744423
  H      1.09638462      2.04286258      5.07195282
  O     -0.32409149     -3.88804324      7.06468958
  H      0.68364712     -2.99485879      9.74484896
  H      2.29992001      2.27927714      6.01219211
  O      2.05641811      1.96184492      5.13044154
  H     -0.07344421     -4.06590764     10.56738063
  H     -1.26009099     -0.50872666      5.85233038
  O     -2.05765186     -0.10873258      5.46738818
  H     -1.60957602     -1.73047953      2.73387090
  H     -2.80058047     -0.48313630      5.95307748
          69
 Energy    -250.15835188597475     
  O     11.08517919     11.08372729     -8.20227017
  H     11.06966134     11.53148511     -9.06641147
  H     13.83747919     11.12413574    -14.10854245
  O     12.01705104      7.74557211    -16.15810107
  H     10.33157167     11.40559862     -7.71341872
  H     16.23855725      7.85129323    -11.92054330
  O     11.12796627      8.54874485     -9.57993207
  H     12.19855053      7.33941944    -17.00135193
  H     17.61312551      8.13736293    -12.57056755
  O     12.98241535      7.48955145    -13.53464196
  H     12.06200584      8.70860645    -16.29448139
  H     14.53828098      7.18127523    -10.79121146
  O     14.67543776     13.93425479     -8.68572026
  H     12.04712634      8.27935219     -9.44868687
  H     14.23622933      6.81870993    -12.26381076
  O     11.95059140     10.46439165    -16.41130217
  H     11.01767282      9.33637025     -9.03551254
  H     15.42793320     14.43491337    -13.18617445
  O     10.80282385      8.65788395    -12.31110666
  H     12.71954919      7.43783884    -14.46175907
  H     15.23290389     13.32728832    -12.12719264
  O     15.71354644      9.53777454     -7.68100770
  H     12.21452989      7.82442528    -13.04683350
  H     13.79734219      9.15224423     -9.97666500
  O     13.62709538     10.67897819    -10.92884823
  H     15.16702811     13.42347515     -9.35194866
  H     14.54744865      8.54626609     -8.78106945
  O     13.82224960     11.47733257     -7.45017867
  H     15.30775951     14.50078976     -8.25005311
  H     11.66926396     11.58405460    -13.60528499
  O     11.26616156     12.22355937    -10.65964570
  H     12.47917855     11.04801429    -15.85340959
  H     10.18449640     11.26907650    -13.93007771
  O     13.31225147     11.90425072    -14.34837284
  H     11.02799627     10.67649094    -16.22009129
  H     16.47127335     11.78739051    -10.43955779
  O     16.86967104      8.55888827    -12.14703387
  H     10.81888719      9.59462792    -12.54441323
  H     14.95816769     11.81065500    -10.70769648
  O     14.92014044      6.77583314    -11.58331764
  H     10.82705037      8.59100933    -11.34562266
  H     14.06047945      8.91637202    -13.47915872
  O     14.78190898     13.83237246    -12.82446920
  H     15.05009768     10.24179388     -7.56414132
  H     15.45319032      9.43616922    -13.02379747
  O     13.92733329      8.32601443     -9.48533158
  H     16.01317505      9.29728393     -6.80825564
  H      8.40596111     10.97806049    -15.82371753
  O     10.81708150     11.35670117    -13.20693041
  H     12.78167575     11.14221885    -10.91299501
  H      9.24114404      9.80896981    -15.24361055
  O     15.74405012     12.37972994    -10.67639949
  H     13.81870170     10.37532821    -11.82639640
  H     16.85655100      9.99138193     -9.16051390
  O     14.59405336      9.71621375    -13.36149458
  H     12.89441328     11.30957715     -7.65625999
  H     17.21388278      9.67165128    -10.63441370
  O      9.25812019     10.75977291    -15.45761706
  H     14.02502269     12.35680122     -7.78871910
  H     13.41616830     14.38711106    -11.55101211
  O     17.34022075     10.31955077     -9.92945015
  H     10.93221483     12.00510243    -11.53985394
  H     13.38128789     14.42512728    -10.01043198
  O     12.82062119     14.46357277    -10.79605517
  H     11.72061418     13.07796701    -10.71313048
  H     10.28474131      7.84983855    -15.28282689
  O      9.52527049      8.15159998    -14.76937728
  H     13.75381916     12.65466349    -13.93570429
  H      9.82384277      8.17663717    -13.84933134
          69
 Energy    -250.15794390270310     
  O     17.48957517     12.19435219    -11.13951375
  H     17.84040060     11.28564633    -11.15801150
  H     13.65050789      7.70495442    -13.18922020
  O     12.67603678      7.19529582    -10.20735889
  H     18.19842101     12.75646029    -10.83939362
  H     14.46452892      4.72453381    -14.74692765
  O     16.38873482      8.73602555    -16.08936539
  H     13.36642582      7.79814914     -9.89603595
  H     13.77566652      5.61047174    -13.69652596
  O     17.27916105      8.40649588    -13.46786721
  H     13.12145937      6.38214127    -10.46979568
  H     16.11536431      5.34438849    -13.66736120
  O     15.88035047     11.48086698    -15.91333816
  H     15.48192156      8.39469321    -16.11921631
  H     17.34430265      5.69137981    -14.53600835
  O     14.78279946      8.94951267     -9.69108726
  H     16.31624724      9.69879944    -16.11551647
  H     14.77995687      8.90426556    -11.50256443
  O     13.74928878      7.85747548    -16.18793234
  H     17.05730437      8.62687913    -14.38157526
  H     15.64601229      8.82055320    -12.79548355
  O     13.14560372     10.52859059    -15.89037830
  H     17.24424857      7.44178917    -13.41029479
  H     15.85318488     11.88538005    -10.23923350
  O     14.81356031      5.21360235    -16.48446420
  H     16.13267419     12.19740703    -16.49016615
  H     14.35982457     12.11692389    -10.50922288
  O     10.99577538      8.35033921    -11.99549453
  H     15.90288179     11.83510526    -15.00615292
  H     14.14035982      4.65317624    -12.00674689
  O     16.76142677      5.68341508    -10.80361408
  H     14.81594751      9.91825126     -9.65714521
  H     13.77682640      3.91421654    -10.70294997
  O     12.96900068      7.15641548    -13.60979069
  H     15.65041320      8.61154116     -9.43837668
  H     13.41755802     10.02967980    -12.90518219
  O     14.33580127      4.82327747    -13.79283455
  H     13.41246688      7.55698330    -15.33252541
  H     11.89504657      9.88023017    -12.72292404
  O     17.03791417      5.63336146    -13.62262438
  H     13.44420441      8.77347016    -16.26720957
  H     17.17142560      7.03053199     -9.80698899
  O     14.74373167      8.90698755    -12.46834526
  H     14.01448896     10.94681908    -15.92043607
  H     17.77557981      7.54088593     -8.47667652
  O     14.97041759     11.67057471     -9.91116295
  H     12.85441737     10.58129896    -14.97137307
  H     18.07545053      9.04316853    -10.51123280
  O     14.07242800      4.75612427    -11.04323140
  H     14.36152023      6.06273709    -16.58143754
  H     18.08301201      9.22702541    -12.04544189
  O     12.57105988     10.47843545    -13.06236106
  H     15.75113014      5.41210471    -16.58929658
  H     15.00260767     12.70969895    -12.98859294
  O     17.33658987      7.82848804     -9.27266530
  H     11.54823378      7.95800160    -11.29385430
  H     16.47839529     12.39408794    -12.69942167
  O     18.34018961      9.64869134    -11.21387208
  H     10.08818079      8.19628871    -11.74924674
  H     17.22294532      7.14375635    -16.36231814
  O     15.83896851     12.49069989    -13.41585623
  H     15.85399106      5.35685308    -10.76973110
  H     18.25913436      6.18172275    -16.98376956
  O     17.52950921      6.22183935    -16.37048048
  H     17.04010842      5.58895827    -11.72263495
  H     12.98338282     12.04848479    -12.37903094
  O     13.38196231     12.85174666    -12.00249093
  H     12.13625895      7.42544997    -13.20860045
  H     12.71307466     13.53074111    -12.02915266
          69
 Energy    -250.15730845106097     
  O     10.32386029      9.23486812    -11.54831878
  H      9.62801681      9.58161037    -10.99712829
  H     15.24586261     11.95806186    -15.24240970
  O     14.48902943      7.40352584    -15.59431838
  H     10.59541689      8.38378115    -11.15976720
  H     16.38965370      7.81438331    -13.38583725
  O     17.34814622     10.30045088    -10.34558973
  H     15.07512316      7.92381715    -15.01805728
  H     15.92002758      9.31177920    -13.18345899
  O     18.27474184     11.20635900    -16.06404992
  H     15.00841668      7.20559398    -16.38113872
  H     12.24032203      7.02624528    -10.68938056
  O     12.63725884      9.38903056    -15.16949794
  H     17.52435549     11.06224840     -9.79945504
  H     11.18408384      6.22840623    -11.46481976
  O     14.01379403      5.74686038    -13.40217632
  H     16.68696029     10.57563211    -11.00396659
  H     17.45084652      6.67357276    -10.27886680
  O     15.49567049     10.86895686    -12.24611133
  H     18.58690940     10.49116237    -15.48308842
  H     18.51101599      5.55941564    -10.08797957
  O     16.17214397      9.99575777    -17.56362650
  H     19.04691249     11.69327940    -16.33969498
  H     10.60623335      4.80553474    -13.57228075
  O     18.79547439      9.11573983    -14.42115343
  H     13.20197447      8.63242327    -15.38602358
  H     10.92718965      6.31795639    -13.62664882
  O     16.46242866      7.14540438    -17.57620282
  H     12.99314395     10.13370195    -15.66982435
  H     19.01353805      7.76398028    -11.43027450
  O     18.20826448      6.58732019    -15.57883118
  H     14.12520789      6.23392610    -14.23225388
  H     18.67950957      9.25344131    -11.25112973
  O     15.95563140     12.13873698    -14.61416862
  H     13.07973882      5.50901083    -13.34930423
  H     15.91299323      5.66673246    -13.12781948
  O     16.14482766      8.63703215    -13.83372994
  H     15.67146526     11.40588375    -13.03501669
  H     17.24346675      5.91131573    -12.32043714
  O     11.29371354      6.83106692    -10.71882803
  H     14.54698007     10.68739386    -12.21575431
  H     16.57467032      8.65952854     -9.80304049
  O     18.12949094      6.14363663    -10.73691022
  H     16.95556399     10.36746975    -17.13875402
  H     15.41139996      7.70127734    -10.17110140
  O     11.21330684      5.46628365    -13.24975002
  H     16.30572653      9.04238246    -17.61646462
  H     14.75737081     10.82769697    -17.00253535
  O     19.24101812      8.64507605    -11.74814579
  H     17.83682982      8.99398923    -14.33318453
  H     13.73432960     11.95464610    -17.28001860
  O     16.81696885      6.00012322    -13.18272981
  H     19.14225187      8.98880420    -13.52667912
  H     14.02648888      6.94391036    -11.99553472
  O     16.25219441      7.75622377     -9.69571279
  H     16.63743252      6.59458079    -18.33418625
  H     13.63766528      8.40850872    -11.67207639
  O     14.03208915     11.34639835    -16.60837753
  H     17.12311277      6.91020050    -16.89989649
  H     12.01506265      9.85480664    -12.07756065
  O     13.95946929      7.58737660    -11.27710380
  H     17.76948174      6.23313475    -14.79320132
  H     12.82886669      9.77312811    -13.39514608
  O     12.90501913      9.92956649    -12.44266590
  H     18.64655462      7.39453427    -15.28157756
  H     10.26733633      8.44296496    -13.31412042
  O     10.46499609      7.93747467    -14.11211285
  H     16.77466754     11.91701610    -15.07312455
  H     11.11152038      8.46208287    -14.60269893
          69
 Energy    -250.15718270437912     
  O     12.80484222     11.99036868    -17.05158564
  H     13.59799184     11.97298252    -17.60190547
  H     19.75719457      9.32366225    -12.46706584
  O     18.07196256      7.20364429    -14.55450488
  H     13.10711577     12.17858128    -16.15445198
  H     15.47755594     11.93886568    -15.47755767
  O     17.69675644     11.44904918    -13.51692474
  H     17.60522117      7.86900259    -15.08160927
  H     16.03531703     11.79595262    -16.91722487
  O     16.24826810      5.26256487    -15.04528310
  H     18.39849389      7.69533791    -13.79260869
  H     14.16668884      9.14372965    -13.36963649
  O     13.57101295      8.46275205     -9.94591605
  H     17.42501457     11.60416079    -14.42982863
  H     14.98967626      7.86897508    -13.01157760
  O     14.77958135      6.05291942    -12.78891078
  H     17.05660357     11.93314154    -12.98330686
  H     11.89827474     10.55576823    -17.47246703
  O     12.54205222      9.83055169    -13.75052754
  H     16.65819430      4.43878609    -15.29496743
  H     10.70946468      9.92130965    -18.23358194
  O     14.12145011      8.99645401    -18.72978422
  H     16.97050309      5.88954966    -14.85508963
  H     16.94546926      7.81687903    -10.13144361
  O     15.58434406      6.42641531    -10.20553545
  H     14.13129798      9.22737152    -10.13208199
  H     17.96179169      8.67959163    -10.92627211
  O     16.32020819      9.06728510    -15.58520177
  H     14.17694403      7.71326403     -9.91041691
  H     12.03525725      6.80572479    -14.22249200
  O     14.74736487      7.13677973    -16.65913094
  H     13.82965958      6.05947825    -12.98606226
  H     11.78101866      7.01595748    -12.71625497
  O     18.82981101      9.11758085    -12.56518222
  H     15.24670918      5.68220952    -13.54704097
  H     15.53191641     13.45736170    -11.53144573
  O     16.29028985     11.79695637    -15.98589933
  H     12.38722014      9.21017173    -14.47802125
  H     15.43813433     11.91321452    -11.57684404
  O     15.05484685      8.82030951    -13.16457144
  H     12.05832634      9.49638619    -12.98414578
  H     16.23032446      9.88120843    -10.44119435
  O     11.51211253      9.71036745    -17.76454837
  H     14.38295422      8.24556837    -18.18301726
  H     15.37058163      9.81672692    -11.71463062
  O     17.47692235      8.62171447    -10.09211767
  H     13.19019378      9.15499306    -18.52993602
  H     15.45764220     11.78982642    -19.42718806
  O     12.13431722      6.38678512    -13.35735371
  H     15.32923822      6.21161197    -11.11872002
  H     14.89659390     10.57651037    -18.65070250
  O     15.47644626     12.71517436    -12.12775434
  H     15.65719420      5.59687152     -9.73981036
  H     10.61355489      8.60472298    -11.03547420
  O     15.48919713     10.31370304    -10.88944030
  H     16.37940786      9.99801916    -15.82494066
  H     12.15156073      8.46990744    -10.93653303
  O     15.19815945     11.49757903    -18.55745233
  H     15.95098423      9.03542625    -14.68838977
  H     13.41435604     11.36416859    -14.18216651
  O     11.40327472      8.50237614    -11.55944574
  H     15.29358843      7.87872784    -16.34990951
  H     14.39700325     12.43821469    -13.65112020
  O     13.95387092     12.12294084    -14.44871584
  H     15.14401811      6.35281201    -16.26649822
  H     11.86143276      8.46003339    -16.44827504
  O     12.23751405      7.92439974    -15.73838766
  H     18.41173800      9.92579093    -12.90906207
  H     13.09226662      7.59960786    -16.05698696
          69
 Energy    -250.15712042083828     
  O     12.50476286     10.49766214    -11.91410642
  H     11.98577052     11.04213739    -11.32758637
  H     17.07653811     10.77364082    -15.29628174
  O     16.05626791      7.83218747    -15.27004186
  H     13.40477217     10.46940836    -11.54743361
  H     18.12625391      5.22711604    -13.74379308
  O     14.96754708      4.46511251    -12.34630684
  H     15.12756183      8.06927313    -15.40798243
  H     19.61310225      4.82068304    -13.62726890
  O     17.68392274      6.83670915     -9.34719509
  H     16.61312883      8.58801472    -15.49848627
  H     16.01159436      8.11643545    -13.50259941
  O     16.04691108     11.92698167    -14.58266826
  H     14.23273652      3.97041465    -12.72784693
  H     16.95946089      8.03966176    -12.27653336
  O     11.31288797      5.52992836    -14.18562469
  H     14.58615503      5.21595696    -11.86679953
  H     15.12606590      4.46935597    -15.66478266
  O     13.34979694      8.31596348    -15.35942136
  H     17.50223341      5.99839176     -9.80925672
  H     13.80942739      3.76753321    -15.27882116
  O     14.14243777      6.78384792    -11.16812799
  H     18.12511584      6.60798369     -8.53252104
  H     13.36031941     10.17695442    -14.99857527
  O     18.80614725     10.32175185    -12.94631701
  H     16.27614310     12.12428871    -13.66857461
  H     13.03865541     10.95632854    -13.71038689
  O     12.43375502      6.08761346    -16.77481209
  H     15.10752208     11.68900859    -14.59661747
  H     16.49995433      4.41186387    -11.28150050
  O     18.69939487      7.75143156    -11.80554916
  H     11.46882776      6.33250260    -13.67092370
  H     17.98088740      4.68718959    -11.58186762
  O     17.67881550     10.07045596    -15.60602520
  H     11.52601876      5.75217624    -15.10040433
  H     15.97110178      5.01804975    -13.78873246
  O     18.91295628      5.28410539    -13.17499635
  H     12.99941393      7.64195135    -15.95526539
  H     16.37238549      6.11772880    -14.84096330
  O     16.04098889      8.17560028    -12.54034113
  H     12.98170559      8.12872156    -14.48367098
  H     12.21379352      4.08409438    -13.81448259
  O     14.25857478      4.22020960    -16.00430710
  H     14.28561969      7.14303248    -10.28305014
  H     12.24786707      2.55847945    -13.55324636
  O     13.43883002     11.04507402    -14.58300524
  H     14.82205041      7.21071570    -11.71553209
  H     17.54725126     12.89056170    -11.55744780
  O     17.34841228      4.60062286    -10.85878314
  H     18.53786815     10.16204575    -13.85914718
  H     17.74321171     11.50302650    -12.21155030
  O     16.53974007      5.20829657    -14.55031452
  H     18.90319683      9.45420146    -12.53263393
  H     12.14186361      8.75188863    -12.52329566
  O     12.80466321      3.31698242    -13.70568237
  H     13.12275150      5.42733782    -16.58006466
  H     12.81199704      7.40069050    -12.20784252
  O     17.07355896     12.12893575    -11.88057101
  H     12.11810325      5.90663843    -17.65585930
  H     15.17240315      9.03720451     -9.55426915
  O     12.22161580      7.84245225    -12.83566061
  H     18.47625339      7.51110691    -10.89602151
  H     16.02714040      7.83218267     -9.09832004
  O     15.14411664      8.21896683     -9.04221997
  H     18.88334156      6.93239167    -12.28419944
  H     15.41541304      9.58696590    -11.62688509
  O     15.11559750     10.31228505    -11.05762475
  H     18.13857880     10.41742287    -16.36574321
  H     15.73638937     11.03502108    -11.21264825
          69
 Energy    -250.15692631900257     
  O     13.13465078      9.80092115    -11.59938651
  H     13.05388497     10.59312449    -12.14545540
  H     15.13934493      8.05305844    -13.06161319
  O     14.17074038      7.90527593    -14.66012973
  H     13.94562382      9.33788590    -11.84348769
  H     12.25902476     14.87134700     -6.84536039
  O     12.72434809     12.13795395    -13.03086501
  H     14.43647742      7.53938625    -15.49976462
  H     13.25696664     14.43616287     -7.94628699
  O     13.64058711     10.28086569     -8.95314264
  H     14.13249031      8.87135616    -14.77858737
  H     11.01638192     12.35324438    -10.28029848
  O     14.18402514      6.13864854    -10.76709211
  H     11.97591347     12.36376670    -12.46214075
  H     10.01239679     11.97954965    -11.39142281
  O     14.15652484     15.89640568    -11.09188534
  H     13.47320630     12.67642277    -12.73820383
  H      9.83320659      6.95344338     -8.47373069
  O      8.93841336     10.44250647    -11.56971674
  H     13.44530663     10.17322365     -9.89698808
  H     10.02961569      8.46741730     -8.72067307
  O     14.99240659     13.45705261    -12.10854390
  H     13.60999359      9.38488760     -8.59085349
  H     10.04410223     10.74961348     -8.54018464
  O     14.84881322     14.50597793     -8.64833297
  H     13.52571491      6.17704893    -11.48346248
  H      9.04366869     10.27383672     -9.61141395
  O     10.78334147      8.38888364    -11.55992284
  H     14.45112943      5.22637083    -10.68669843
  H     13.59649913      7.08792080     -9.19755169
  O     11.65001002     15.16448612    -10.37339974
  H     14.18711825     16.82452895    -11.30588036
  H     12.28559503      7.55152972     -8.53441290
  O     15.41953147      8.25492245    -12.15886056
  H     13.22639809     15.68238749    -10.89441011
  H     14.98365744     11.44834888     -9.38131714
  O     12.31891923     14.42099863     -7.68326847
  H      8.19526984     10.26285721    -12.13987705
  H     16.22289197     11.50534547    -10.31378378
  O     10.71560122     12.60072870    -11.16776372
  H      9.55244073      9.69491244    -11.66601294
  H     15.05561907     11.03995379    -14.66706653
  O     10.41611995      7.58798340     -8.88236790
  H     14.76204797     14.35966422    -11.85612823
  H     13.54787571     11.13665457    -14.39833585
  O      9.36911003     10.08088105     -8.72464395
  H     15.17693746     12.96719000    -11.29286559
  H     16.00050424     12.66636589    -13.35470595
  O     13.24703417      7.60957269     -8.46504413
  H     14.77397664     15.06333281     -9.43186476
  H     17.12426220     12.64138927    -14.41496746
  O     15.61562219     12.05279912     -9.79330650
  H     15.23532240     13.67064514     -8.94542387
  H     16.98207396     10.96678163    -12.44645625
  O     14.21444757     10.60327683    -14.85049088
  H     11.61758282      8.88547561    -11.55355982
  H     16.55562549      9.66658564    -11.74681613
  O     16.48892084     12.08885779    -13.96624524
  H     10.66734131      8.01583210    -10.67566102
  H     12.92151483      6.96493887    -13.53528282
  O     17.00243949     10.51085836    -11.59749624
  H     11.21635657     14.38870659    -10.75029948
  H     11.74498812      7.07018270    -12.53451799
  O     12.44852954      6.48507019    -12.84370304
  H     11.73594956     14.98996839     -9.42732449
  H     12.25461243     11.34667359     -8.60351929
  O     11.46857356     11.91177786     -8.57331285
  H     15.14723640      7.51071312    -11.60619623
  H     11.72192748     12.74258629     -8.15388336
          69
 Energy    -250.15675704915441     
  O     -8.49042287      1.18211655      6.51042754
  H     -8.87999126      1.93598225      6.96906741
  H    -12.00322978      1.62229624      3.73484330
  O     -4.69706598      2.39689294      4.57791051
  H     -8.09904474      1.54088970      5.69895196
  H     -6.71376809      2.54215351      1.42504465
  O     -6.09711882     -1.09035948      4.36138861
  H     -5.66679730      2.43171431      4.56553529
  H     -6.07858782      1.18103541      1.85283281
  O     -6.86420297      4.45304578      7.18160399
  H     -4.45929329      1.69490782      3.96046883
  H     -9.87470179     -1.13239937      4.93427551
  O    -12.61926098      0.58409956      6.73015288
  H     -6.98460264     -1.42423444      4.19228447
  H     -9.68678872      0.03097733      5.93899087
  O     -7.45221694      2.39775562      4.26972982
  H     -6.05444285     -0.83529236      5.29450163
  H    -12.14110406      4.25827088      5.44145135
  O     -4.79143283      2.43794071      7.32524146
  H     -7.76090238      4.15505366      7.38006009
  H    -12.79624366      3.78628997      6.75063828
  O     -9.56680386      3.58325051      7.37308733
  H     -6.26387720      3.71801818      7.34996921
  H    -13.57975593      2.73238447      4.90350489
  O    -12.10900107      2.77047997      8.26816579
  H    -11.88525760      0.06204153      6.37891242
  H    -14.61366327      1.96505787      4.04441715
  O     -8.19305938      5.02930194      3.48068332
  H    -13.11026713      0.89766663      5.96110410
  H     -8.91246162     -2.76668465      3.22832295
  O     -6.40579789      4.39948136      1.34356184
  H     -7.76356875      3.29968731      4.12807068
  H     -8.92758394     -1.23876927      2.98038939
  O    -11.04524243      1.52625271      3.65986553
  H     -7.38468136      1.98971965      3.39656913
  H     -9.76959107      4.50558619      4.23094493
  O     -6.91260584      1.62200146      1.64105735
  H     -4.62302964      2.42660878      6.36798723
  H    -10.55649325      3.16455841      4.33614520
  O    -10.35655445     -0.50254708      5.48242976
  H     -3.95489707      2.61957354      7.74738565
  H     -5.54654950      0.62354964      7.21773274
  O    -12.99893538      4.09144886      5.85792362
  H    -10.38314963      3.36335358      7.83893061
  H     -6.99217361      0.21962471      6.95460342
  O    -13.74094599      1.90106819      4.42187297
  H     -9.83028655      3.79375514      6.46421622
  H     -5.13608530     -0.23861133      3.26990414
  O     -8.74877299     -1.92606519      3.64800354
  H    -12.53734020      2.67478967      9.11452565
  H     -3.94310280     -0.21917942      2.27954442
  O    -10.42593548      4.02851503      4.75351965
  H    -12.27339017      1.94479375      7.77781000
  H     -5.14462224      5.47138629      4.03173208
  O     -6.09018834     -0.13157796      6.96944161
  H     -7.71444645      4.89157706      2.65454972
  H     -4.52740189      4.07838268      3.80121090
  O     -4.61794465      0.33034831      2.66702023
  H     -7.62055420      5.55412215      4.05747276
  H     -9.90023653      0.71169416      2.37455247
  O     -4.68989497      4.93031589      3.37374452
  H     -6.19741628      4.90255199      0.56070617
  H     -8.50170418      0.64962814      1.69462372
  O     -9.26740469      0.11870807      1.94879227
  H     -5.71951901      4.60514215      2.00423033
  H     -6.53833431      5.62484315      5.97555079
  O     -6.38939103      6.24923737      5.24159978
  H    -10.79822565      0.83379998      4.29025579
  H     -6.36076257      7.12167626      5.62446507
          69
 Ord_Energy   -250.156570    
 O   -4.11418200      -10.7041388       8.48713970    
 H   -4.52780581      -11.2476025       7.80440283    
 H   -4.07399988      -9.81626987       8.10780144    
 O   -5.34246922      -10.5242205       10.9183512    
 H   -4.78994417      -10.9062099       11.5955057    
 H   -4.86445522      -10.6284781       10.0765829    
 O   -5.56026745      -8.06977749       4.62779665    
 H   -5.12946320      -8.04168987       5.49322557    
 H   -6.34972858      -7.52135515       4.70312881    
 O   -5.73177958      -11.7037153       6.38860798    
 H   -5.56889009      -11.3723164       5.49613571    
 H   -6.40516853      -12.3935375       6.30679703    
 O   -9.17012978      -9.04921436       5.73299932    
 H   -8.93354416      -9.71667480       5.07186174    
 H   -8.85387230      -8.18822575       5.43216562    
 O   -4.84720039      -5.99289513       8.98620605    
 H   -4.26521158      -5.35635042       9.39122963    
 H   -5.18175507      -6.56580591       9.70091629    
 O   -8.35427094      -7.70487738       9.33638096    
 H   -7.90838528      -8.32783890       8.74783230    
 H   -9.14403439      -8.16776276       9.64898872    
 O   -8.36975193      -11.1733093       4.16889095    
 H   -7.47726822      -10.9738312       3.85986972    
 H   -8.27190304      -11.8819141       4.82242250    
 O   -7.98753691      -13.2575941       6.01637697    
 H   -8.44466019      -13.9699469       5.55356407    
 H   -8.50292492      -13.0686255       6.81480742    
 O   -5.64522839      -10.6074104       3.76701617    
 H   -5.02290630      -10.7403603       3.05746555    
 H   -5.59208441      -9.66690445       4.01827383    
 O   -7.89970303      -11.1541147       9.88206959    
 H   -7.71673393      -10.6482162       9.07778740    
 H   -7.10078859      -11.0611372       10.4133177    
 O   -10.9729223      -10.4151525       7.35235500    
 H   -11.6178808      -10.8556852       6.78510904    
 H   -10.4343147      -9.84763241       6.78351688    
 O   -10.7119293      -12.6576462       3.59541225    
 H   -9.97652340      -12.0318375       3.62330604    
 H   -11.3787279      -12.3299265       4.21192360    
 O   -12.5722294      -12.0502777       5.70299816    
 H   -12.2669630      -12.8667536       6.13838482    
 H   -13.5226879      -12.1068134       5.64612913    
 O   -7.20672369      -9.64696121       7.57674742    
 H   -6.67333794      -10.3620453       7.20093584    
 H   -7.89504194      -9.43362331       6.93119240    
 O   -9.52939892      -12.6389771       8.20997143    
 H   -10.0404568      -11.8655701       7.92729664    
 H   -8.96383858      -12.3384962       8.93225861    
 O   -9.75292587      -14.9722843       4.65959311    
 H   -10.1215010      -14.2056656       4.18391657    
 H   -9.75802708      -15.7058935       4.05126524    
 O   -4.73205662      -8.21157074       7.29437208    
 H   -4.65803194      -7.41209888       7.83133125    
 H   -5.61032248      -8.57836246       7.46612406    
 O   -7.96039248      -6.59617949       5.11002493    
 H   -7.74679899      -6.25126219       5.99628305    
 H   -8.28369141      -5.85837936       4.59966755    
 O   -7.36841726      -5.77430487       7.61176729    
 H   -6.49082804      -5.67626333       7.99770260    
 H   -7.87150478      -6.29438972       8.25461960    
 O   -5.94130373      -7.70892572       10.7648745    
 H   -5.72508955      -8.63951302       10.8922367    
 H   -6.86060810      -7.68027067       10.4653358    
 O   -10.2978601      -9.51950359       9.98700714    
 H   -9.59409618      -10.1562529       10.1654663    
 H   -10.6963320      -9.79239273       9.15023327    
 O   -11.4377718      -14.2361460       6.86872101    
 H   -10.9016685      -14.6593533       6.18668938    
 H   -10.8128147      -13.8504848       7.49762249    
          69
 Energy    -250.15630162303688     
  O     14.84237261     10.99484567    -15.08893838
  H     14.03517001     10.57417342    -15.37111881
  H     17.22131192     12.37834552    -16.58875017
  O     19.72794372     14.61142995    -16.31081256
  H     15.05923924     10.62541341    -14.21276527
  H     17.86423755     11.68240108     -8.06667393
  O     20.17149520      8.46807578    -14.69869169
  H     20.30166805     13.91964961    -16.66283671
  H     18.47818004     11.09546455     -9.35930690
  O     19.89455872     13.56897032    -10.29725945
  H     20.12554882     14.90060214    -15.48093264
  H     21.28231215     14.66627595    -10.70576481
  O     15.76485044     14.61809982    -12.14821946
  H     20.77455616      7.72866158    -14.68805583
  H     22.21016781     15.88144436    -10.48829075
  O     19.31136844      9.81640990    -10.18093094
  H     20.64721914      9.22142105    -14.30458336
  H     20.96064603     12.09518197    -10.73132278
  O     15.89423726     12.05397252    -10.85106193
  H     19.36648814     13.77803082    -11.08307178
  H     22.38714225     11.78110189    -11.22355000
  O     19.78262422     10.32255745    -16.87597458
  H     19.30212638     13.09827321     -9.69776148
  H     16.32710260      9.51718857    -12.63862231
  O     22.50266128     12.97295676    -14.64827947
  H     15.51121088     14.33887341    -13.04735401
  H     15.58369612     10.71311391    -12.00263009
  O     21.21697706     10.74745626    -13.64296448
  H     15.18628597     15.33628938    -11.90843660
  H     21.81839346     12.41240763    -18.04784022
  O     15.23084174     13.78603167    -14.64926189
  H     20.18791924     10.15274396    -10.40728085
  H     20.85535154     11.67678597    -17.08819208
  O     17.30331908     11.45255697    -16.32363016
  H     18.91796003      9.49293424    -11.00198444
  H     21.30616878     15.25960656    -12.91937253
  O     18.08422213     11.89755008     -8.96924667
  H     16.60673264     12.06231640    -10.20238301
  H     19.93143904     14.74641704    -13.37250656
  O     21.99492927     15.18969073    -11.10912842
  H     15.83148820     12.94779820    -11.20681596
  H     23.44916379     12.93362142    -12.93254899
  O     21.54579049     11.36712533    -10.98104604
  H     19.87995613      9.59837258    -16.24791598
  H     23.20924248     13.77293687    -11.66648156
  O     15.51113629     10.02848556    -12.68530833
  H     18.86706087     10.62615561    -16.79887799
  H     18.74342021      8.73257811    -13.36102513
  O     21.41095861     12.47022072    -17.18751281
  H     21.92127326     13.68397947    -14.34072097
  H     18.20207450     10.12232027    -12.99746388
  O     20.80588600     15.00488704    -13.70308331
  H     22.28588845     12.82439292    -15.57749374
  H     19.51928535     11.44082750    -13.89471944
  O     23.59146349     12.94268993    -11.97767254
  H     21.29789731     10.86103522    -12.68578040
  H     18.19832052     11.63923713    -14.71365600
  O     18.20462084      9.19581018    -12.71074808
  H     21.73501569     11.45415135    -14.04924371
  H     16.86553082     14.71961038    -17.54017104
  O     18.59618386     11.72305672    -13.83821315
  H     15.01465409     12.85446256    -14.78065454
  H     18.03318629     14.41610753    -16.57472339
  O     17.09935652     14.21588292    -16.76480634
  H     15.85358264     14.02095602    -15.34786878
  H     17.55632268     14.39996111    -12.41364583
  O     18.46249795     14.11461337    -12.57657436
  H     16.44290764     11.18354929    -15.97486025
  H     18.42320872     13.24701413    -13.00978296
          69
 Energy    -250.15612795210524     
  O     17.23346887      8.14794051    -14.14923180
  H     17.88807373      8.32833494    -13.45940605
  H     11.57916219     11.75213517    -15.52038485
  O     11.91591758     10.75481775    -10.55881954
  H     17.32540088      8.78709903    -14.86602904
  H     17.19341028      7.62296396     -9.20549245
  O     11.05255984      9.56647813    -12.81586729
  H     11.19917923     10.91784406     -9.95181534
  H     18.08708205      6.42811979     -9.59884559
  O     15.57274004      5.98847421    -13.80356948
  H     11.53338750     10.30124339    -11.33321054
  H     14.48974934      9.36052153    -11.56938470
  O     18.73225970      8.52987736    -11.88026752
  H     11.25535216      8.64658934    -13.02375349
  H     13.44365860      9.70293635    -10.47566448
  O     19.35773278     11.25137515    -12.31681800
  H     11.32521570     10.09997994    -13.57279680
  H     20.04877574      5.36875576    -10.98598590
  O     16.88374232      9.33094742     -9.91457841
  H     15.02668321      6.24344048    -13.04714216
  H     18.56930796      5.37747180    -11.44113420
  O     11.76545787      6.85358149    -13.26612277
  H     16.20523801      6.70755102    -13.95793800
  H     15.58347724     11.37198988    -12.62930509
  O     16.98168574     10.15542000    -16.13436969
  H     19.04647208      7.65312973    -11.62610496
  H     14.74847361     12.63042845    -12.35222993
  O     13.59348593      7.21230646    -15.44168154
  H     18.07813798      8.79229184    -11.21653289
  H     16.53348494      4.48036270    -11.26614137
  O     14.16632792      9.85669679    -15.74633681
  H     19.33071646     10.29221181    -12.20480229
  H     16.67405213      4.88338335    -12.74416942
  O     12.06241866     11.32422601    -14.81754324
  H     18.86224977     11.60649306    -11.56918316
  H     14.65260898      9.77744188    -13.95970337
  O     17.32282393      6.67607001     -9.06387172
  H     17.10312167     10.27109126     -9.89888344
  H     15.91051743      9.12680441    -13.36709470
  O     14.20770466      9.14559486    -10.66426414
  H     15.93218610      9.26994018    -10.07881882
  H     18.36469692     11.80080096    -13.75070941
  O     19.27033685      5.91687540    -11.03303476
  H     11.16685865      6.11222976    -13.21116425
  H     16.93940576     12.36717350    -13.79203824
  O     15.65681121     12.29911138    -12.35996422
  H     12.47807428      6.68446027    -12.62715963
  H     13.97766819      7.43041314    -11.16483162
  O     17.16029482      4.50613170    -11.99916095
  H     17.46664864     10.28370619    -16.94503100
  H     14.30695475      5.93208374    -10.92592869
  O     15.15009519      9.67659783    -13.13981342
  H     17.23054495     10.88613005    -15.53782817
  H     17.47238510     12.85353099     -9.76010831
  O     17.65298326     12.05087482    -14.35833895
  H     14.31382496      6.68953506    -15.06659132
  H     16.78029529     12.23423211    -10.99720221
  O     13.89506635      6.54513187    -11.54770192
  H     12.85802914      7.09558752    -14.82845047
  H     12.59130557     12.14954911    -11.72369830
  O     17.43544814     12.06642656    -10.29727348
  H     13.96650595      8.90588082    -15.75943626
  H     12.62885908     12.33074548    -13.25208425
  O     12.94794766     12.70965818    -12.42399112
  H     15.08797675      9.97615228    -16.00518020
  H     16.03155351      5.57917612     -9.45984511
  O     15.36693995      4.94699428     -9.78946987
  H     12.80410784     10.85616157    -15.23617463
  H     15.15710865      4.36544986     -9.06385037
          69
 Energy    -250.15575981731752     
  O     14.75598764      3.62340491    -10.25659027
  H     14.74887788      2.69421905     -9.99420900
  H     13.20015243      9.22939779    -10.36988060
  O     12.67238667      3.84851086    -12.11198774
  H     14.01797473      3.74243030    -10.87129660
  H     15.05789955      7.72184645    -12.90776381
  O     17.14383063      3.57934225    -11.70219057
  H     12.03058053      4.54410082    -11.93273648
  H     14.31255760      7.06060698    -11.72287013
  O     11.70820431      7.85406846    -13.73855174
  H     13.15270951      4.12840104    -12.90748133
  H     13.66259761      6.99196901     -9.74989667
  O     13.38494772      1.13557480    -12.44258289
  H     17.47459024      4.48603465    -11.73830461
  H     12.36971864      6.98587552    -10.66952807
  O     14.84443359      0.81755495     -9.98514514
  H     16.31526261      3.61606784    -11.20286412
  H     14.66813901      0.88171727    -13.61982508
  O     16.13365368      9.75274451    -10.90024002
  H     12.01327811      8.74967402    -13.56350412
  H     15.25175811      0.03062091    -14.77065006
  O     14.17447699      4.83040502    -14.15771876
  H     12.21918251      7.54581572    -14.50194538
  H     10.13563191      6.15728978    -11.63124841
  O     15.45968740      9.35141192    -13.62035914
  H     12.98633003      2.01202601    -12.36294757
  H     11.28075045      6.74416100    -12.49121760
  O     16.06759724      7.99389053    -15.97701010
  H     13.74157592      0.92997726    -11.56965721
  H     16.62065412      6.43329949    -12.15098612
  O     17.49833225      6.00027962    -14.80934424
  H     14.89594657      0.15803002     -9.29923229
  H     17.73182581      6.75169714    -11.14794023
  O     13.30737016     10.19552367    -10.45085897
  H     15.64337105      0.71797590    -10.53400103
  H     16.19801351      2.44171398    -14.51262967
  O     14.90576140      6.87867112    -12.45987060
  H     15.24222926     10.01023262    -10.64061030
  H     16.77538475      3.41938743    -13.47292587
  O     13.09947111      7.52176360    -10.33719536
  H     16.10091866      9.67025771    -11.86274971
  H     16.57871052      0.64540619    -12.58339581
  O     15.45778152      0.74444964    -14.17318346
  H     14.95881926      4.29640321    -14.33468327
  H     17.23369486      1.70263598    -11.67527717
  O     11.08359439      6.16224608    -11.73304996
  H     14.45259297      5.56784308    -13.59096763
  H     13.56611519      6.09560511    -15.36459819
  O     17.56564284      6.29306491    -11.97921653
  H     14.58934429      9.76694369    -13.66893346
  H     14.22365389      7.34845609    -15.95179874
  O     16.51266476      3.34738296    -14.40318331
  H     15.68545989      9.01289372    -14.49709902
  H     15.80712110      6.53258602     -9.13197218
  O     16.95202501      0.77726589    -11.70312854
  H     16.48825490      8.22846380    -16.79996139
  H     14.98163775      5.22397405     -9.33655607
  O     13.36500612      6.95298448    -15.76653193
  H     16.59103821      7.26565265    -15.59650506
  H     16.92226061      8.45589536    -10.00956348
  O     14.94920608      6.12085136     -8.97627326
  H     17.24820961      5.06910652    -14.85556763
  H     17.92832421      8.04822476     -8.90905744
  O     17.32856603      7.69350225     -9.56006758
  H     17.73017460      6.16491346    -13.88636285
  H     12.98796669     10.44029914    -12.21913841
  O     12.88035849     10.43746742    -13.18405497
  H     12.96182912     10.57988037     -9.64967662
  H     12.48742659     11.27399304    -13.42202202
          69
 Energy    -250.15496726761504     
  O     11.95300538      5.25207397    -15.16060917
  H     11.64499385      5.75100788    -14.38199033
  H     17.70702572     10.87748251    -15.21310623
  O     16.74523208      6.35000091    -11.99197163
  H     11.17382993      4.95897319    -15.62493262
  H     15.52691801      8.73194635    -13.81322596
  O     16.47478222     10.46249910    -11.28759184
  H     16.69907549      7.16479923    -12.51714054
  H     17.02816373      8.85348490    -14.14301339
  O     18.01461955      9.12085264    -15.70982134
  H     17.39431456      6.50380214    -11.29526583
  H     11.55049560      5.94129508    -12.16336082
  O     13.54899657      3.68788055    -13.29441043
  H     17.28224115     10.95924242    -11.45933748
  H     11.63202898      7.38541696    -12.67620095
  O     14.42110129      7.00957554    -10.61186441
  H     16.43507296      9.80335603    -11.99653347
  H     16.22210289      9.36024137     -9.79720079
  O     14.59704286     11.56398396    -14.87662879
  H     17.52387887      8.54329545    -16.30827228
  H     16.97826869      8.12310929     -9.31300836
  O     18.20836421      5.58365967    -15.49996776
  H     18.78254957      8.62322880    -15.39844731
  H     12.33794322      4.60443486    -10.05810198
  O     19.93104597      7.44430763    -14.53589982
  H     13.24478550      4.02509053    -12.44262865
  H     13.23791023      5.68210278    -10.70169167
  O     15.98675154      4.71921226    -14.03698378
  H     12.95463751      4.06651907    -13.95280083
  H     19.39163498     12.26918378    -12.26759591
  O     19.64055135      8.75314250    -11.99563409
  H     14.85548600      7.57882135     -9.96038711
  H     18.37842693     11.61255826    -13.23345168
  O     17.46550348     11.67331335    -14.71912524
  H     15.14576490      6.66489593    -11.15137003
  H     19.25630490      6.84287267     -9.51991675
  O     16.40972435      8.65037166    -13.43145572
  H     14.04980769     12.03537020    -15.50073455
  H     18.97796054      7.81065851    -10.69371410
  O     11.25514952      6.51872870    -12.87881506
  H     14.33887341     10.62885654    -14.93371584
  H     14.76962743     11.10913842    -11.66909264
  O     16.14772662      8.60155094     -9.20157184
  H     17.52269539      5.12661232    -14.99404435
  H     14.08621644     11.54658745    -12.97077802
  O     12.60191779      4.97334441    -10.89720141
  H     17.74307568      6.03351397    -16.21449075
  H     13.57079800      5.95432276    -15.66202802
  O     18.86231125     11.48697669    -12.39750907
  H     19.35112244      6.70667701    -14.79741579
  H     15.01307670      5.80631271    -15.11322134
  O     18.55467181      7.22515560    -10.03977527
  H     20.81511865      7.20069809    -14.79939639
  H     13.08601466      9.64880141    -12.05554141
  O     13.90178046     11.25592633    -12.07060673
  H     16.28968179      5.20758537    -13.25664115
  H     13.38520251      8.17911667    -11.62434930
  O     14.45866497      6.33211924    -15.70947926
  H     15.21077219      4.20815350    -13.76617475
  H     14.05242164      8.01381143    -15.11213821
  O     12.84212361      8.72383167    -12.20969754
  H     19.42892674      9.68005944    -12.15949588
  H     13.45603862      8.78578473    -13.88737436
  O     13.94605988      8.88842416    -14.71794294
  H     19.75003559      8.32733278    -12.85417031
  H     15.76623330      6.91769296    -16.78345264
  O     16.57208655      7.21129646    -17.24000078
  H     16.50240428     11.72049862    -14.74860643
  H     16.40648103      7.11676438    -18.17489013
          69
 Energy    -250.15333432987467     
  O     16.02341680     11.39597347    -14.86415100
  H     15.10182468     11.55286090    -15.09570340
  H     16.08708268      4.93465862    -15.06731765
  O     15.43134935      5.38817547    -16.65770111
  H     16.02484363     11.23863627    -13.90995921
  H     13.74692969      8.82607171    -10.20919281
  O     12.68293281      7.10828854    -12.54511464
  H     15.53986068      6.22836385    -17.11844179
  H     13.46899417      7.53357138    -11.00160324
  O     14.80823225      5.60096593     -8.94351988
  H     14.48338999      5.24788097    -16.54632188
  H     15.44329073      8.00115133    -14.02599636
  O     12.72396668      4.75218415    -15.85416399
  H     11.82319791      7.45219743    -12.81267331
  H     14.80342135      9.26844064    -13.44166553
  O     13.16371285     11.46811447    -15.49265743
  H     13.34621339      7.58150414    -13.07408136
  H     16.89266715      9.97398242    -15.65660726
  O     15.78052289      7.95036966    -17.89348559
  H     14.47564017      6.43050456     -9.32308809
  H     17.41203517      8.56762258    -15.25673529
  O     17.50028494      5.77430320     -9.97084673
  H     14.51744288      5.58071286     -8.03487255
  H      9.49793840      8.25780419    -13.63911424
  O     13.60846846      8.94075795    -16.45811132
  H     12.36913255      3.92434748    -16.17070291
  H     10.72847362      7.97173830    -14.53464950
  O     14.66048233      3.56575923    -10.95915319
  H     12.97413404      4.60746086    -14.92613860
  H     12.39252604     10.98708250    -13.82659924
  O     17.37067301      3.66071901    -11.91008154
  H     12.81039925     12.08372938    -16.13056296
  H     11.43710823      9.91201042    -13.25561850
  O     16.19210378      4.80205676    -14.11291928
  H     13.26955097     10.61876953    -15.95361986
  H     13.17484604      5.44145316    -12.94444671
  O     13.97482227      7.88970437    -10.25561533
  H     16.17746232      8.05514317    -18.75341106
  H     13.81037707      4.11766943    -12.42897802
  O     14.59917734      8.46261231    -13.93237857
  H     16.37249205      8.39080549    -17.25396543
  H     11.80231144      6.39855250    -15.95177855
  O     17.25675223      9.15011146    -16.01111938
  H     17.56362968      5.05282956    -10.60898751
  H     12.12308592      7.87600419    -16.25899314
  O     10.44563526      8.34939594    -13.68132902
  H     16.66564804      5.63958606     -9.50466473
  H     13.01513389     11.33835714    -10.09984576
  O     12.02488931     10.63554492    -13.00658035
  H     13.96639162      8.75138180    -15.57554447
  H     12.81218827     10.63877945    -11.46599317
  O     13.52818049      4.58610262    -13.22815361
  H     14.27776151      8.64755251    -17.08849016
  H     17.10881865      7.62493015    -12.86392406
  O     11.42160528      7.28507884    -15.95230071
  H     14.64364946      4.19633359    -10.22866548
  H     16.93269745      6.45914883    -13.88327612
  O     13.32963802     10.61825174    -10.63976117
  H     15.59165062      3.45407050    -11.18797645
  H     14.94264980     10.67032438    -11.62244990
  O     17.15240366      7.39661749    -13.80263403
  H     18.01716661      2.99404995    -12.12841704
  H     16.21263152      9.80289206    -11.82156123
  O     15.66823873     10.48893978    -12.23178673
  H     17.05427523      4.02712817    -12.75277228
  H     17.14620888      7.38374536    -10.69950430
  O     16.69042231      8.11932730    -11.13421460
  H     15.29438258      4.75007657    -13.75733043
  H     15.76356430      8.03643926    -10.87434019
          69
 Energy    -250.15324295802370     
  O     18.13113684     10.03129346    -13.91180053
  H     17.71256555     10.43497308    -13.14336573
  H     15.37790189      5.57768444    -12.06986099
  O     16.07250990      3.61217930    -14.47409226
  H     18.41392826      9.15358169    -13.62579174
  H     12.45359806      9.08330109    -12.85714654
  O     12.34079046      7.95260585    -14.23263730
  H     16.28319709      2.70514201    -14.67846682
  H     13.22766980     10.39178412    -12.66236637
  O     11.41689710      8.19736667    -10.20579802
  H     15.27108126      3.83417926    -14.98426133
  H     15.48993017      7.77378714    -13.41025807
  O     13.79212695      4.31204406    -15.70705527
  H     12.26801151      6.99816914    -14.09355740
  H     14.16046613      8.03025787    -14.19006269
  O     17.36932700     10.29387192    -16.53608979
  H     12.28036648      8.15809844    -15.17409689
  H     19.66824820      7.16998403    -12.66989695
  O     17.89385105      5.77482471    -14.85678100
  H     12.13366438      8.08109494     -9.57099728
  H     18.52600311      6.80158282    -13.64933181
  O     13.78364997      7.57669395     -8.65522410
  H     11.73464205      8.84653576    -10.84721890
  H     11.94522349      9.20157700    -17.50381129
  O     16.52321007      7.60868136    -16.44182524
  H     13.13136246      4.57850274    -15.05824515
  H     13.27370347      9.52675661    -16.78595155
  O     10.83463918      5.68743664    -11.10171516
  H     13.86353639      5.03454449    -16.34918171
  H     14.46639777     11.04664206    -15.57091754
  O     13.37812879      5.18813298     -9.86617189
  H     18.04323790     10.79762604    -16.98475067
  H     15.46003055     10.60294502    -16.64411231
  O     14.84884212      4.78013360    -12.22158718
  H     17.63996836     10.23895774    -15.60251533
  H     13.23421261      5.14515415    -13.03090327
  O     12.70439797      9.73581642    -12.18445994
  H     17.31455861      5.01336948    -14.73670017
  H     11.73913193      5.36732628    -12.71083398
  O     15.10580108      8.22851421    -14.16919414
  H     17.48092325      6.33369616    -15.53013472
  H     13.54936573      7.25463287    -17.31383578
  O     18.79513854      7.42867378    -12.95127561
  H     13.70416789      6.69195988     -9.05639969
  H     15.01633675      6.81432109    -17.21301397
  O     12.58018212      8.85085802    -16.88449918
  H     13.83025642      7.44650319     -7.71200814
  H     15.38052809     11.26157502    -13.08281619
  O     14.51848113     10.74229925    -16.48672036
  H     16.92088742      8.45106239    -16.68707664
  H     14.92310511     10.04443287    -13.90933199
  O     12.37268543      5.32062440    -13.43766973
  H     15.98902070      7.80444749    -15.65421507
  H     17.17128351      7.26555579    -12.09843042
  O     14.12291409      6.48270672    -17.37511085
  H     10.96288449      6.61023399    -10.81900433
  H     15.91188413      7.84640106    -11.34820550
  O     14.70211603     10.96733200    -13.69934468
  H      9.94882982      5.44303759    -10.84723738
  H     16.12524335     10.46478311    -11.17848851
  O     16.24401847      7.10979275    -11.87677269
  H     12.47954403      5.20976139    -10.21749449
  H     16.93937793     11.76646664    -11.01834008
  O     16.67833187     11.10526723    -11.65492363
  H     13.94065282      4.90922887    -10.60093487
  H     14.64050048      8.71360662     -9.80742656
  O     14.95661580      9.21209628    -10.57269271
  H     15.30712686      4.27286768    -12.90224198
  H     14.18408447      9.36298942    -11.13700180
          69
 Energy    -250.15151827660031     
  O     11.25134198      7.12473892    -12.57980817
  H     11.76005785      7.30521268    -11.77915360
  H     14.02187095      6.37301211    -15.38556221
  O     17.52741850      9.79454867    -14.66901137
  H     11.59925305      6.27957612    -12.89799164
  H     15.75900374      5.67538234    -13.97871333
  O     17.15755503      8.24648353    -12.43440378
  H     16.78115445      9.66006212    -15.26995998
  H     17.29025245      5.48951785    -13.86962289
  O     17.11681971     12.44462864    -13.86288517
  H     17.50823859     10.72495167    -14.41185028
  H     13.97088635      8.22461456    -12.11820906
  O     13.26675665      7.42661281    -10.65827695
  H     16.99494047      7.33910575    -12.72502013
  H     15.36871924      8.60673528    -12.68416877
  O     15.38408667      9.55880416    -16.49041635
  H     17.38396882      8.77430201    -13.21472844
  H     15.36080769      9.53504752     -9.46951066
  O     14.68839465     11.92207607    -15.30244123
  H     17.63376786     13.24483424    -13.89721511
  H     14.05740964     10.31624837     -9.72609119
  O     16.48245230      5.39672980    -17.11203182
  H     16.83903008     12.32690799    -12.93652474
  H     13.23927824      4.90263815    -13.98061468
  O     10.94793499      9.14216374    -14.33230403
  H     13.82316706      6.63797421    -10.65621277
  H     13.30777091      4.78798155    -12.45405342
  O     14.84998973      5.12367689    -11.18331018
  H     13.64478152      8.08247285    -10.05341313
  H     13.53688720     10.18396651    -13.11379084
  O     13.38412086      8.06737484    -15.31470023
  H     14.66624055      8.98547772    -16.18798992
  H     12.12554935     10.48117170    -13.64339843
  O     14.47458392      5.53071884    -15.24125875
  H     15.13436537     10.45827551    -16.23040824
  H     19.43735365      4.87768948    -15.21730815
  O     16.50079557      5.70096105    -13.35492414
  H     15.46702599     12.22180523    -14.81745817
  H     18.82705692      6.27894122    -15.45752149
  O     14.42254580      8.67118160    -12.84782453
  H     14.02454069     11.69820172    -14.63809163
  H     17.22012239      9.07022541    -10.87909326
  O     14.40843413      9.51728442     -9.31416379
  H     17.24527430      5.26950347    -16.53566020
  H     17.94342614      9.41611352     -9.55617602
  O     12.68907509      4.80466027    -13.19163686
  H     16.61892239      6.24720412    -17.54756714
  H     16.91657361      8.33799005    -19.04923456
  O     12.91060626     10.90764235    -13.27862600
  H     10.04732953      9.17295345    -14.64188147
  H     16.37498702      8.62244427    -17.63066344
  O     18.62968177      5.37868731    -15.14190418
  H     10.99546859      8.41746169    -13.67967467
  H     15.36870499     12.05164322    -11.11101723
  O     17.16707297      9.61302605    -10.07401119
  H     15.15888891      4.36441661    -10.69404498
  H     16.66534206     11.25558414    -10.85144891
  O     16.96054733      8.04036640    -18.14409748
  H     15.49789237      5.27864350    -11.88880144
  H     18.42665137      7.92926559    -16.93028728
  O     16.30624882     12.00912964    -11.33532782
  H     12.48094012      8.38931143    -15.22198632
  H     18.65970072      8.60414306    -15.57379547
  O     18.96908239      7.87935506    -16.13251210
  H     13.78864144      8.19576428    -14.44096489
  H     12.91052817     12.51366287    -10.44931643
  O     13.52614302     11.86022194    -10.77230142
  H     15.07880798      5.39612150    -15.98516715
  H     13.21132568     11.58951306    -11.65055994
          69
 Ord_Energy   -250.151459    
 O    3.73961544       1.94948292       6.30915499    
 H    4.55629778       1.53322148       5.99411345    
 H    4.00041533       2.60589004       6.96610832    
 O    3.49964762       1.47061813       9.99093246    
 H    2.92538500       1.01161098       9.36535454    
 H    3.82767057       2.25281262       9.52833843    
 O   0.526526272     -0.791370034       5.79185009    
 H  -0.398138404      -1.01004851       5.71419764    
 H    1.02073812      -1.49741495       5.33791113    
 O    6.01971197      0.609037519       5.59391451    
 H    5.87999249      -9.57116932E-02   4.94999599    
 H    6.08262396      0.170468420       6.45807219    
 O    7.99804926      -2.45485282       5.22032833    
 H    7.27135277      -2.12946129       4.67425013    
 H    7.67983723      -3.27453446       5.61516237    
 O    4.34020424      -3.49528241       5.77238083    
 H    5.10840702      -4.03334093       5.99528837    
 H    4.01256704      -3.12565827       6.60666275    
 O    3.30132532     -0.779335856       2.59025788    
 H    2.90873885      -6.53760880E-02   3.12441468    
 H    3.12857699     -0.566116154       1.67736447    
 O    5.90046740     -0.750278771       7.96208048    
 H    5.86683512     -0.341607869       8.83543205    
 H    5.07854223      -1.25303519       7.87436295    
 O    8.11424446      0.867288888       10.8185606    
 H    8.51156616      0.132256284       10.3178396    
 H    8.74954987       1.12328351       11.4816322    
 O    9.08761978      -1.22798359       9.38796425    
 H    9.35097885      -1.07480121       8.47021294    
 H    8.53920269      -2.02009106       9.37231731    
 O    5.52483988     -0.174871609       10.7301912    
 H    6.35996580      0.273860991       10.9061632    
 H    4.82490587      0.479633749       10.5770817    
 O    2.25905371      0.110456191       7.80210352    
 H    1.54725289     -0.176219732       7.21554661    
 H    2.79806352      0.729412079       7.28664732    
 O    6.99786568      -3.12371182       8.88261032    
 H    6.32725525      -3.21309900       9.57051563    
 H    6.79258204      -2.28291345       8.44257069    
 O    2.10989285       1.03596437       4.21882343    
 H    1.45446742      0.534884274       4.71872759    
 H    2.64728045       1.49734521       4.87697744    
 O    4.78062010      -2.77274370       10.6457043    
 H    5.04451561      -1.84165645       10.7650003    
 H    4.45681429      -3.07784462       11.4886932    
 O    5.54843664      -1.64376605       4.03396845    
 H    5.11430120      -2.26866198       4.63267088    
 H    4.86916351      -1.34820497       3.41511464    
 O    9.70004940     -0.880401254       6.65461206    
 H    10.5605068     -0.975939333       6.25319910    
 H    9.08976746      -1.42464507       6.12720871    
 O    3.57106853      -2.28724432       8.11281872    
 H    3.03550148      -1.47988975       8.10531902    
 H    3.80749750      -2.50238466       9.02297306    
 O    4.65278816       3.54525900       8.43499279    
 H    4.66754580       4.49033070       8.55704021    
 H    5.57009840       3.23297763       8.54787922    
 O    2.02247930      -2.59728956       4.40904951    
 H    2.75311327      -3.06244564       4.83571386    
 H    2.41629171      -2.09213495       3.68663573    
 O    7.14527845       2.60592699       8.75813580    
 H    7.64880323       2.35438156       7.96952486    
 H    7.51556587       2.10049129       9.48832130    
 O    6.79748154      -4.66599655       6.61678314    
 H    7.14480925      -5.54779768       6.72473574    
 H    6.90904617      -4.21205950       7.46912813    
 O    8.42699051       1.69604862       6.48917150    
 H    7.63062859       1.44547737       6.00019121    
 H    8.93988323      0.883025169       6.56188154    
          69
 Energy    -250.15034174186729     
  O     14.62017167     12.86754054    -14.57381760
  H     14.44359004     12.16025177    -15.21939601
  H     17.26307021      3.81471179    -14.69572465
  O     13.48391727      6.81053203    -14.01163402
  H     14.46318433     13.69499572    -15.02206728
  H     18.41048276      9.44200199    -16.21340605
  O     17.17372956      7.34384186    -11.17080474
  H     13.02056789      6.62972179    -14.83678650
  H     17.67048000     10.73743686    -15.81339301
  O     19.32355821      7.87393244    -15.56624534
  H     14.10159570      7.53453371    -14.20561439
  H     14.95255595      9.46042717    -15.17025849
  O     11.80758629      9.50936017    -15.94946626
  H     16.51861683      6.74245020    -11.55495734
  H     15.76608401      9.12443439    -13.88365217
  O     12.39214898      7.96073165    -11.77142102
  H     16.79978824      7.64761118    -10.33485248
  H     12.40989983     11.36450948    -12.76709396
  O     16.55662545      9.76562463    -12.40306543
  H     20.22671327      7.75846677    -15.85045831
  H     13.61658803     12.27918645    -13.09647732
  O     14.76593979      7.24721356    -17.80684492
  H     19.26986876      7.50583084    -14.66681058
  H     10.22477307     10.09339956    -12.90280414
  O     13.75614539      6.34676075    -10.00725421
  H     11.88543947      8.56593469    -16.13466271
  H     11.48260641      9.24265829    -12.63299018
  O     16.76897548      6.76271094    -15.89730892
  H     11.52071070      9.60066224    -15.03216368
  H     18.50929019      5.79844616    -13.45659683
  O     12.38538848      6.76937627    -16.58638228
  H     12.67613448      7.37656924    -11.05396573
  H     18.54210714      6.90176643    -12.39166639
  O     17.14066314      4.62542821    -14.20867819
  H     12.69086889      7.53716704    -12.59015425
  H     15.91780866      5.08165347    -12.85776597
  O     17.84612676     10.14171376    -16.55744602
  H     15.75781000      9.93929155    -11.88658494
  H     14.63079020      5.92791783    -12.89445654
  O     15.28544689      8.73694719    -14.62634280
  H     16.94033574      8.96264001    -12.02842286
  H     15.71499186      8.78369970     -8.20004607
  O     13.11075546     11.89477318    -12.36960440
  H     15.05707666      8.12285084    -18.08951716
  H     15.11566078      9.02093344     -9.60451090
  O     11.11875113      9.94089767    -13.20188222
  H     15.48805998      6.91008836    -17.26047043
  H     16.07451731     10.23974262    -19.13475046
  O     18.99611261      6.58551389    -13.18317523
  H     14.28897538      5.90085231    -10.67905168
  H     16.58382291      9.94106339    -17.70373918
  O     15.30468010      5.57283380    -12.29724909
  H     14.36655007      6.91646435     -9.52442611
  H     13.87586236     10.74059187    -11.26448484
  O     15.59112448      8.37597765     -9.05332044
  H     17.67241543      7.09741657    -15.96328964
  H     13.62672361      9.22088436    -11.17595696
  O     15.81858266      9.85113798    -18.30290698
  H     16.25894240      7.46279929    -15.46083920
  H     16.42677757     12.20759615    -14.36334508
  O     14.22020134      9.92241680    -10.87583565
  H     13.21407766      6.93324935    -17.07199914
  H     17.14333962     11.09405057    -13.58433224
  O     17.23830581     11.68781445    -14.34103168
  H     11.85488783      6.19771894    -17.13456931
  H     14.64380715     10.52423258    -17.04868123
  O     14.18060055     10.77721740    -16.24131266
  H     16.94413296      5.32012100    -14.86095319
  H     13.30080143     10.36826275    -16.23526275
          69
 Energy    -250.14925475881904     
  O     16.12905022      8.64699421    -15.62603823
  H     15.72404562      7.85776684    -15.97590963
  H     17.35408677     10.82152330    -17.37040319
  O     18.26154489     14.85829093    -17.24724008
  H     16.68986738      9.01247399    -16.33295065
  H     18.80665373     11.29641271     -9.78739402
  O     21.97426229      9.73482591    -14.46965082
  H     18.19485590     15.40440459    -18.02593503
  H     18.11706844     12.66613315     -9.93682205
  O     18.62343379     14.30224845    -10.82385485
  H     19.10345161     14.37116278    -17.31363342
  H     20.59400542     16.34861199    -12.04877722
  O     14.62047557     12.50506394    -12.83414777
  H     21.79826016     10.62239780    -14.11019076
  H     19.30989355     16.42766970    -12.89546222
  O     20.58192239     10.54082181    -10.02426920
  H     22.92017874      9.61081762    -14.44675538
  H     21.05191066     12.25448362    -10.49914084
  O     16.17558939     10.48100813    -11.50442241
  H     18.03727981     14.04037140    -11.54823543
  H     20.23325572     13.52830448    -10.85427837
  O     20.24426912     10.69602412    -16.51580415
  H     18.91869971     15.19620949    -11.04657215
  H     17.09421486      9.60190824    -12.66806180
  O     21.33905497     14.64978232    -14.68477141
  H     14.61835503     12.01910079    -13.67892769
  H     17.13274410      8.90547282    -14.07502230
  O     21.16504216     12.17520800    -13.52475998
  H     13.72074378     12.76808407    -12.66207312
  H     20.58351256     12.51661580    -17.05104699
  O     14.84553227     11.19940209    -15.18759364
  H     20.45827851      9.98113268    -10.81152291
  H     21.04727396     13.85346444    -16.40747829
  O     17.68045101      9.91662057    -17.47275501
  H     20.85885687      9.96208440     -9.31857388
  H     21.98955180     14.56649970    -11.61597681
  O     17.94618533     11.73086219     -9.77283010
  H     15.56930652     11.15226000    -11.83451153
  H     23.07763887     15.66181572    -11.66082237
  O     19.66025258     16.58578053    -12.00935805
  H     16.73096516     10.90974072    -10.83639891
  H     18.45022045     15.43059338    -15.44279970
  O     21.10997170     13.11881735    -10.92693276
  H     19.58927485     10.97472337    -15.86100779
  H     18.07425867     14.92893041    -14.02667614
  O     17.67998348      9.24684928    -13.35872608
  H     20.90859049     10.21278756    -16.01038949
  H     20.82157804      9.08890088    -13.01762678
  O     20.58929380     13.47442156    -17.16864369
  H     20.42695000     14.97261797    -14.61800533
  H     19.33304828      8.98248510    -12.61526939
  O     22.29664026     15.34537531    -12.10844430
  H     21.81018614     14.99994907    -13.91859830
  H     18.26480464     10.77987303    -13.99748491
  O     18.68836907     15.49973817    -14.51020429
  H     21.27826264     12.99701627    -14.02181563
  H     19.45963360     11.80331731    -13.99626579
  O     20.23064191      9.04345226    -12.25890470
  H     21.15897950     12.41520599    -12.58950387
  H     17.27070582     13.32230927    -16.83917836
  O     18.58494970     11.61801854    -14.36484376
  H     15.43166872     11.72559689    -15.74866879
  H     17.50886959     12.23994913    -15.76209896
  O     16.95517743     12.46849572    -16.52223818
  H     15.14294043     10.28742024    -15.28137546
  H     16.22882872     13.38210026    -12.96522536
  O     17.14859458     13.65117999    -13.08315244
  H     18.63755127      9.98253635    -17.37504255
  H     17.61341740     12.88647922    -13.44761839
          69
 Energy    -250.14898597335304     
  O     14.72465458     13.33607095     -9.52796503
  H     15.48980537     13.10834837     -8.98251752
  H     12.48922384     15.24996999    -13.63964087
  O     15.72615991      8.58988002    -11.21711506
  H     14.07015866     12.63658498     -9.40308186
  H     19.99768515     12.06401956    -12.76841780
  O     17.41162509     15.86471086    -11.53264987
  H     16.48615234      9.12706014    -11.49251893
  H     19.65217676     12.42770912    -11.30079650
  O     15.13029751     11.38820136    -15.64818571
  H     15.71248315      7.81595037    -11.79180564
  H     12.20356887     10.90154517     -8.82642338
  O     15.58765151      6.60498672    -13.20867437
  H     17.46156545     15.33811719    -12.34863792
  H     13.00759979     10.61371477    -10.11477712
  O     16.51829488      7.97320595    -15.36366670
  H     17.92524758     16.65477723    -11.68357966
  H     18.75652651     13.23799867    -14.26492694
  O     15.90361498     12.41248844    -11.92344020
  H     16.01457873     11.11661481    -15.36248381
  H     19.99663774     13.18162224    -15.18671633
  O     13.25147253      9.80754985    -11.67804690
  H     14.69687355     10.59991630    -15.99968014
  H     13.59971368      8.60514557    -15.45235186
  O     17.62968689     10.50092877    -14.76021839
  H     15.86261578      5.69283037    -13.24221930
  H     13.40436268      8.59202308    -16.98722751
  O     13.61696915     11.91599598    -13.40713493
  H     16.00280559      7.05224076    -13.96809533
  H     14.73654241     10.27876912     -8.78011039
  O     15.32806617     14.22349939    -15.46871845
  H     17.03497693      8.77961915    -15.23753566
  H     15.75321644      9.38468363     -9.50736929
  O     13.24895898     14.68483623    -13.52733942
  H     15.71658298      8.24356676    -15.82780369
  H     18.16723649     13.17273128     -9.59509246
  O     19.98824962     11.71754102    -11.86960743
  H     15.12482015     12.21003385    -12.45794987
  H     18.27733895     14.39861279    -10.53130053
  O     13.03450905     11.07714947     -9.26035190
  H     15.57597808     12.76767528    -11.08927321
  H     17.05517869     11.06835335    -11.88467913
  O     19.46726898     12.65923094    -14.58960938
  H     14.13123652      9.42148497    -11.54559165
  H     18.55327868     10.65981373    -11.86923648
  O     13.96760511      8.92700047    -16.29482285
  H     13.33163894     10.54058702    -12.30731942
  H     15.51259795     15.74010674    -11.35040651
  O     15.65691286      9.99065636     -8.76148996
  H     17.61200258     10.33764663    -13.80548302
  H     14.52243438     14.84213986    -10.59080027
  O     18.73918871     13.60547762    -10.24044751
  H     18.33017195     11.14948699    -14.89360257
  H     13.88778653      7.38233038    -13.61338805
  O     17.65739656     10.31704749    -11.99869520
  H     13.35106920     12.84391870    -13.44745688
  H     12.99299878      8.53664370    -13.12627170
  O     14.58110846     15.49361708    -11.30308731
  H     14.08423410     11.70896833    -14.22978569
  H     17.39778734     12.27682907     -7.44238835
  O     13.16204595      7.96108260    -13.88114911
  H     15.21788369     13.29226379    -15.70418976
  H     16.64333631     11.42082670     -8.48322481
  O     17.02489641     12.30166789     -8.32027397
  H     14.57326410     14.45489984    -14.91286649
  H     16.90623468     13.48655466    -12.99304012
  O     17.32955145     14.09128671    -13.62087716
  H     13.72244481     15.00784855    -12.73997682
  H     16.69350621     14.23682175    -14.33706434
          69
 Energy    -250.14874277089808     
  O     -3.04884615      5.16601894      2.45738054
  H     -3.06662315      4.20414212      2.39363350
  H     -2.49048471      3.67127823     -2.37405046
  O     -3.31161277     -1.06120056      0.78846720
  H     -3.13210822      5.49940920      1.55560297
  H     -0.75105174      2.09576033      5.10230284
  O     -1.00693302      3.10304683     -3.43786647
  H     -2.62633969     -1.46843406      0.24395294
  H     -1.49698568      2.88684035      4.01067307
  O     -3.11082657      1.44830047     -0.33149601
  H     -2.89389393     -0.88746950      1.64210974
  H      0.16297808      6.26636645      0.64592259
  O      1.73522343      0.12545545      3.72803595
  H     -0.97536499      3.28492409     -4.37320238
  H     -1.19297233      6.03378564     -0.11130931
  O      3.26204512      3.47435731     -0.79783015
  H     -0.27243709      3.59744167     -3.02962339
  H     -2.26642838      1.48531096      2.56464164
  O     -0.16000498      3.21642762      1.00145009
  H     -2.29857045      1.27859900     -0.82692890
  H     -2.84712964      2.16521886      1.32128578
  O     -0.37160403      0.26876125      5.42565848
  H     -3.38820478      0.58793916      0.01572039
  H     -0.67195540      4.93200495      4.38729339
  O     -1.66333951     -0.15983678      2.94896323
  H      1.84006133      1.06111354      3.50328576
  H     -1.58925547      5.65798522      3.39571893
  O      0.54077912     -0.68623063      1.26838722
  H      1.47824680     -0.31553048      2.90905693
  H     -0.91100959      1.48971614     -2.53555575
  O      1.53677761      2.88029471      3.18183312
  H      4.17790517      3.53500014     -1.05585660
  H      0.02097315      0.99563353     -1.40609251
  O     -3.18237540      3.86985019     -1.73204940
  H      3.18268322      3.94332375      0.05208443
  H      1.28033501      7.67612767      2.46759517
  O     -0.84541838      2.97584393      4.71404215
  H     -0.23367807      4.10579934      0.63406193
  H      0.44770106      6.42031748      2.81695387
  O     -0.25881781      5.79079318     -0.08159872
  H     -0.99698209      2.98743109      1.42114224
  H     -3.13846218      5.31498385     -0.80016484
  O     -2.52058815      2.35202891      2.21473965
  H     -0.24665805     -0.21235348      6.23880284
  H     -3.63587813      6.76286036     -0.56664412
  O     -0.73979113      5.73227156      3.85776412
  H      0.44540629      0.16470892      4.90367847
  H      2.15633023      1.95506341     -0.54459500
  O     -0.80152804      0.79312590     -1.87620236
  H     -1.35054137     -0.14481808      3.86085596
  H      0.77997912      2.07179993      0.13001221
  O      1.05756489      6.80211061      2.15890784
  H     -0.88578460     -0.31029104      2.39160864
  H     -0.99426656     -0.92171632     -1.32753449
  O     -3.03453316      6.10191144     -0.23452607
  H      0.08368489     -1.23740908      0.62230349
  H     -0.93251657     -2.45589397     -1.50083603
  O      1.37717120      1.44104284     -0.30760990
  H      0.94857132      0.02971937      0.75947403
  H      2.40188122      5.49007212      1.76181799
  O     -1.03850227     -1.76679939     -0.84952468
  H      0.87388628      3.00062056      3.87246756
  H      2.68014529      4.07789113      2.28813702
  O      2.95108405      4.71176259      1.61049443
  H      1.04090558      3.01310064      2.35991751
  H      0.56093067      5.03758912     -1.52799673
  O      0.96047364      4.47355235     -2.20546269
  H     -3.34842236      3.04465180     -1.25736429
  H      1.78289201      4.14588985     -1.82493325
          69
 Energy    -250.14873688522493     
  O     13.64812827     12.34362980    -14.23639111
  H     14.58191923     12.58174730    -14.23048472
  H     12.59001453      7.19240116    -16.31765181
  O     14.36095128      6.55853983    -13.81476118
  H     13.54538003     11.70735334    -14.95881134
  H     19.33025622      4.95544065    -14.61975288
  O     17.91825612      8.27436193    -11.55261117
  H     13.84640382      6.79935285    -13.03346194
  H     19.18629134      6.41703543    -14.12216854
  O     19.27978673      9.55767166    -15.95453031
  H     14.70359979      7.39238902    -14.17358203
  H     16.56943237     11.01056787    -17.21731385
  O     11.40018194      8.61315810    -15.84096767
  H     17.50936016      8.42077726    -10.68747657
  H     16.92102106     11.78012283    -15.90885016
  O     16.23067490      8.50217133     -9.38025195
  H     17.49790799      7.47715764    -11.90319388
  H     14.81499160      9.34557471    -15.34468307
  O     13.23542114      7.45248826    -11.42272977
  H     20.04240031      9.78368416    -16.48149917
  H     16.09328002      8.42743707    -15.41587767
  O     16.53208991     10.30626948    -12.81625989
  H     18.59003802     10.20823802    -16.17638582
  H     12.75265939     11.82253071    -12.86769730
  O     15.32946153      7.65106599    -18.06303755
  H     11.40637779      8.68163685    -14.86899045
  H     11.70431955     12.13379151    -11.77060933
  O     15.22544126      5.87924517    -10.10729875
  H     10.48508349      8.59563614    -16.10799029
  H     11.91983449      8.29297446    -12.53283241
  O     17.45192999      7.44607638    -16.24693372
  H     15.55605237      9.08580843     -9.75197711
  H     11.66963964      9.78690706    -12.80505547
  O     13.31816964      6.57710028    -16.46575414
  H     15.86693657      7.61060837     -9.44469478
  H     19.29164981      8.20762016    -12.83303402
  O     18.68935242      5.63151569    -14.41720632
  H     13.73326029      6.83722367    -10.87219193
  H     19.63891232      8.63336216    -14.28953985
  O     17.29182523     11.25324469    -16.62700560
  H     13.64286569      8.32068372    -11.28018778
  H     17.36299642      5.63748860    -13.10204671
  O     15.46089009      8.85291604    -14.82260713
  H     16.13836516      9.79911746    -13.54512944
  H     15.87107950      6.04979871    -13.00484885
  O     12.27356523     11.44695111    -12.10631767
  H     17.12439644      9.69930033    -12.35497607
  H     15.14831254     10.53702036    -19.31911283
  O     11.49154004      8.90169091    -13.14648933
  H     16.13414116      7.43812731    -17.57372286
  H     15.25781039      9.33435541    -18.34841884
  O     19.80306754      7.96200894    -13.61619608
  H     14.60241470      7.22478033    -17.58552190
  H     13.66074319     10.53697375    -11.26330988
  O     16.66995995      5.88779015    -12.47979587
  H     15.26153336      5.04789526     -9.64052559
  H     15.11156157     10.15201947    -11.64263416
  O     15.20333761     10.30758905    -18.39580169
  H     15.79348858      5.78309484    -10.88949894
  H     16.57163438     11.84660277    -13.66050947
  O     14.39620301      9.96093759    -11.02054025
  H     17.78029871      6.72206316    -15.70162662
  H     17.02162851     13.31214109    -13.86850374
  O     16.48034182     12.62145139    -14.24277851
  H     18.13661808      8.12846882    -16.23892654
  H     12.77198154      9.78957005    -16.20727524
  O     13.54038672     10.37440014    -16.17706853
  H     13.63608826      6.34943958    -15.58308605
  H     13.96022554     10.39826194    -17.04645997
          69
 Energy    -250.14839102836106     
  O     13.08094305     11.02305618    -15.55618209
  H     13.30038521     11.18279241    -14.62728400
  H     14.40477328      7.12740487    -10.48490143
  O     15.94079528      4.91463464    -16.51624124
  H     13.86342941     10.61486600    -15.94414665
  H     14.75941751      8.24635666    -13.88224189
  O     13.20195817      6.46509938    -11.66664794
  H     16.16288950      4.43163164    -17.30765467
  H     13.68069967      9.20761633    -13.33691838
  O     16.83298182      5.29143285    -10.18697492
  H     15.45940185      5.71256763    -16.79995178
  H     16.21686840     10.29117751    -16.92566794
  O     13.97250371      3.71475565    -14.70968774
  H     12.26544793      6.25580249    -11.75098728
  H     15.97285290      9.37740129    -15.70469615
  O     10.68180150      9.74243171    -15.45523321
  H     13.39505838      7.12314317    -12.35239149
  H      9.81611858      5.53055556    -12.01954349
  O     14.59629111      7.16405611    -17.18284475
  H     17.58749087      5.66353332    -10.65651004
  H     10.82123727      5.62052926    -13.19369047
  O     14.05050761     10.02644763     -9.40015468
  H     16.29093410      6.04617718     -9.91720609
  H     10.49969848      9.13694087    -13.63457334
  O     18.72813637      6.52289226    -12.05629074
  H     14.40113510      3.85273684    -13.85489743
  H     10.45711442      7.94053275    -12.63998707
  O     12.24653679      7.43850849    -15.72815439
  H     14.59348730      4.04313997    -15.36861546
  H     15.75671043      4.66535112    -11.54002568
  O     17.01872686      5.72389081    -14.09226148
  H     10.02777654     10.20414399    -15.97276927
  H     14.42799537      5.19801462    -12.12480301
  O     15.11846227      7.55501336     -9.99068481
  H     11.51117028     10.24751366    -15.53475298
  H     11.68679635      5.77979141    -15.14053539
  O     13.83769813      8.29242393    -13.60182837
  H     13.70502147      7.18822810    -16.80677610
  H     12.29668685      4.44573662    -14.66258874
  O     15.54390016      9.78607304    -16.47486675
  H     14.93297398      8.06267570    -17.10054555
  H     10.98785262     11.10324954    -10.54708470
  O     10.51692559      6.06589878    -12.38070241
  H     13.19659332     10.14571849     -9.83494564
  H     11.22354126      9.92161606    -11.51416382
  O     10.50530269      8.90250280    -12.69931219
  H     14.67369657     10.57386655     -9.89149634
  H     16.73233913      7.49754091    -14.34246073
  O     15.19586390      4.64557332    -12.32780319
  H     19.63465024      6.24838151    -12.17014063
  H     16.73789307      8.69576347    -13.36775749
  O     11.49292098      4.98302563    -14.62901051
  H     18.23565966      6.18308824    -12.82199765
  H     14.48051197     11.16996418    -12.34081233
  O     11.67152771     10.55793705    -10.92758402
  H     11.58956546      8.13897785    -15.81028883
  H     12.94934445     10.96698818    -12.17864250
  O     16.53936102      8.44385193    -14.27917132
  H     12.79783344      7.69236827    -14.97219089
  H     16.61793130     11.91468460    -11.01306224
  O     13.66483368     11.00171955    -12.82817935
  H     16.79054868      5.38904058    -14.96903386
  H     16.46536298     10.40890073    -11.32561634
  O     15.97568242     11.24214306    -11.22599585
  H     16.36438886      5.35435343    -13.47872745
  H     17.77654627      8.09431001    -11.63989671
  O     17.06399602      8.73882218    -11.55082476
  H     14.74041398      8.36271946     -9.61543114
  H     16.36860551      8.30847165    -11.02785754
          69
 Energy    -250.14764664753801     
  O     -6.18830679      3.63975249     -2.70670637
  H     -6.08529637      2.73096409     -3.03952243
  H     -6.09254263      0.83347338      1.65682446
  O     -0.87445786      1.98431129     -4.00165231
  H     -6.87432130      4.03778065     -3.23483360
  H     -5.25575805      0.26560753      4.01604313
  O     -5.06971608      3.17517573     -0.25985450
  H     -1.67964636      1.46530908     -3.84264254
  H     -4.29364495      1.18209322      3.22349691
  O     -3.51851857     -0.98959481      1.21583485
  H     -1.10806919      2.63919090     -4.65432546
  H     -0.73344594      0.47892658      2.28648845
  O     -0.31511027     -1.12151738     -1.06348772
  H     -5.48352227      3.44050140     -1.09401467
  H      0.43669374      1.41756208      2.61937699
  O     -3.04404835      0.44653463     -3.26140780
  H     -4.48426421      2.42718916     -0.45400299
  H     -1.76748424      3.52132728      0.56957391
  O     -4.47220412     -2.23745763     -1.06466794
  H     -4.00433758     -0.59098873      1.94823085
  H     -0.88786586      2.36099119      1.11222554
  O     -2.34541019     -2.21238844     -2.70513671
  H     -2.61663587     -1.17600389      1.51058497
  H      2.31660712     -2.58222041      2.83592218
  O      0.37867964      1.56554956     -1.60280883
  H     -0.97039735     -1.49829541     -1.66230629
  H      2.08173771     -1.89666963      1.46769193
  O     -0.81537371     -1.25069108      1.65705717
  H     -0.15009362     -0.20647369     -1.32782891
  H      2.46333092      1.11867206      1.45970664
  O      2.33091213     -1.65968831     -0.25070942
  H     -3.12863331      0.71808907     -2.33341979
  H      2.16197581      0.04003755      2.51376102
  O     -6.54983147      1.03894273      0.83336641
  H     -2.81380967     -0.49044525     -3.24415331
  H     -4.87520579      0.80740534     -3.51840304
  O     -4.94243991      0.46044769      3.13701642
  H     -5.29236295     -1.75720096     -1.23012844
  H     -6.16652962      0.44422659     -2.75424468
  O     -0.52866751      1.38447192      2.55642791
  H     -4.16580288     -1.93311128     -0.19857498
  H     -3.14356766      3.15958800      2.68773672
  O     -1.16842663      2.81419276      0.30240423
  H     -2.30247960     -3.01489106     -3.21746966
  H     -2.15352375      2.07684838      3.17346656
  O      1.83208758     -1.88085546      2.40955763
  H     -3.12816732     -2.28520381     -2.12748459
  H     -6.72509042     -0.04534404     -0.53197422
  O      2.18072274      0.99525543      2.37425937
  H      0.03801284      1.75691078     -2.48820745
  H     -7.68607375     -0.94949741     -1.33334559
  O     -5.80887024      1.03609092     -3.42789158
  H     -0.12316278      2.10538550     -0.97550193
  H     -3.35027835      0.40368412      0.00760437
  O     -3.06240660      2.39284967      3.26663214
  H      0.00495782     -1.56977788      2.05182739
  H     -2.47001051      1.66146421     -0.28645792
  O     -6.79137424     -0.61866680     -1.31574372
  H     -0.66348753     -1.21957657      0.69951055
  H     -3.41847146      5.39684526      1.37924670
  O     -3.21871291      1.13973733     -0.60354604
  H      2.67187634     -0.76311962     -0.36450948
  H     -3.96351046      4.09544811      0.74204963
  O     -3.24054228      4.46570299      1.27871961
  H      1.44840413     -1.64437251     -0.64581466
  H      3.50573226      1.66842938     -0.86120417
  O      2.83258926      1.13997353     -0.43975751
  H     -6.18190593      1.87850710      0.52775323
  H      1.99891466      1.33215177     -0.90120720
          69
 Energy    -250.14717381730219     
  O     -3.71081922     -0.75390450      2.79228307
  H     -2.94532730     -1.03315360      2.27062361
  H     -3.42229404      3.13056566     -0.91828565
  O      0.14890336      3.24134294      2.70755569
  H     -3.43525482      0.00044478      3.32856929
  H     -5.72975270      2.39573959      0.71675277
  O     -1.59342953     -1.38303986      1.15563929
  H     -0.78445370      3.47440697      2.57089707
  H     -5.90488987      3.48099826     -0.35918088
  O     -4.95045485      0.99990615     -2.76740162
  H      0.60741245      4.05644097      2.89694292
  H      0.75860675      1.90193785      1.48087894
  O     -2.65738671     -0.73136293     -2.72344358
  H     -0.80159558     -1.42267951      1.70584624
  H      0.39048414      0.99586180      0.27620159
  O     -4.69405377      0.88055834      0.75340094
  H     -1.44317373     -0.67452366      0.51343476
  H     -4.70671121      1.85367333      4.59307364
  O     -8.14439608      1.12789107      0.69981823
  H     -5.58897081      0.48581994     -2.25278206
  H     -5.69756609      2.35424946      5.66088466
  O     -3.01614401      1.58141660      4.11822587
  H     -4.15244108      0.46111375     -2.81537460
  H     -2.60179039      3.36730434      1.34878804
  O     -4.90318346      3.58681768     -2.00264996
  H     -2.95930721     -1.39194338     -2.07337766
  H     -3.38859280      4.03231819      2.50981061
  O     -6.52976180     -0.38379770     -0.94511155
  H     -2.38615178     -1.21599343     -3.49890798
  H     -5.44574863      3.63360675      3.52387762
  O     -6.03712295     -2.91781495      0.17355714
  H     -5.25089761      0.37442279      0.14716272
  H     -5.60568769      4.04175041      2.04819483
  O     -2.89672527      2.64899553     -0.26912507
  H     -4.42158192      0.29181212      1.46548254
  H     -5.29669868     -1.60192987      2.82160725
  O     -6.22647080      3.20237176      0.50667208
  H     -7.70503546      1.98060834      0.58138469
  H     -6.76296526     -1.15340220      2.93001316
  O      1.02247155      1.10816528      0.99907730
  H     -8.00824706      0.89934060      1.62718206
  H     -0.07271808      1.76798084      3.93802051
  O     -5.64037338      2.07481790      4.74942091
  H     -2.89066277      2.27014403      3.45120746
  H     -0.01230401      0.23142702      3.95951834
  O     -2.53086793      3.65110460      2.27139225
  H     -2.12763418      1.31444709      4.39703147
  H      1.55117962     -1.49368018      2.79272882
  O     -5.13787979      4.26511073      2.86554316
  H     -5.03052574      4.16401185     -2.74993408
  H      0.94659014     -0.26812176      2.06294844
  O     -6.20722433     -1.89319421      2.66224839
  H     -4.94804686      2.67287922     -2.34137844
  H     -6.90776366      1.04855116      3.88475159
  O     -0.37586690      0.99233579      4.42777202
  H     -6.47502264     -1.30133405     -0.65301410
  H     -8.33297884      0.48706093      4.05243578
  O      0.74340473     -1.00181973      2.67263359
  H     -7.22160196      0.05946636     -0.43013501
  H     -4.24397493     -2.66991500     -0.42161858
  O     -7.58459661      0.50124688      3.45865747
  H     -6.13919373     -2.60320836      1.08986463
  H     -2.78826345     -2.28475851     -0.03150106
  O     -3.37158451     -2.46841365     -0.77884537
  H     -6.48246388     -3.75906499      0.11969206
  H     -1.65496599      1.41124428     -0.63248414
  O     -1.11741218      0.61915500     -0.77766315
  H     -3.48473588      1.95786324      0.08072202
  H     -1.51108537      0.17075618     -1.53628692
          69
 Energy    -250.14711149856987     
  O     11.50854075      9.31125378    -13.40591185
  H     11.15957442      8.40937242    -13.42654878
  H     16.24484323      7.28214922    -11.11317190
  O     17.60358282      9.36111334    -13.05371860
  H     12.14484850      9.36186642    -14.13137680
  H     14.69949506      5.37875226    -14.09617762
  O     14.00978244      2.98924317    -12.49487408
  H     18.22265016     10.08534950    -13.08758638
  H     16.11180596      4.74449772    -14.10466987
  O     15.85259967      1.79200389    -10.86918050
  H     16.71219566      9.75294093    -13.01408027
  H     12.83185365      6.66153710    -13.40340007
  O     17.26076523      7.46019434    -15.19743124
  H     13.10595071      2.83664512    -12.80345654
  H     14.10905936      6.99811522    -12.57635283
  O     15.08392347     10.30513586    -13.00365737
  H     14.47232851      3.47376020    -13.19396758
  H     12.53640908     10.31052593    -10.56691925
  O     11.39592978      3.00212540    -13.32013038
  H     15.17518910      2.14054903    -11.47379131
  H     12.37324357      9.56079518    -11.90941013
  O     15.51637885      3.89671034     -8.95821864
  H     15.73990392      0.84516934    -10.84877335
  H     15.99623592      7.54754706    -16.41416675
  O     13.77648122      8.98684224    -15.08836335
  H     17.40320350      8.16505937    -14.55508767
  H     15.68140918      7.83293092    -17.89836262
  O     18.19018789      3.30468932    -11.57025069
  H     17.51222581      6.64613423    -14.74353587
  H     14.12667718      6.08869043    -16.84122789
  O     17.96521278      5.29700719     -9.49882579
  H     14.65549789      9.97789044    -13.80776290
  H     14.27805425      4.85495767    -15.94501648
  O     17.18559593      7.19757004    -11.33005147
  H     14.43907465     10.19651815    -12.29734527
  H     17.47897445      5.96773205    -12.71320707
  O     15.19488371      4.58730052    -14.36391291
  H     11.02562942      3.54194844    -12.61162789
  H     17.96137531      4.52113142    -12.90327750
  O     13.79245576      6.75565168    -13.45517717
  H     11.31898476      3.52644012    -14.12716035
  H     12.07772753      4.97946531    -15.96395727
  O     12.94714428      9.65861222    -11.12855198
  H     15.66192645      3.09465782     -9.47743710
  H     10.61417130      4.61381880    -16.29422580
  O     15.27178558      7.63922319    -17.05929523
  H     16.33315535      4.40490117     -9.03442560
  H     13.89540649      8.10708207    -10.78281761
  O     13.68174011      5.27382840    -16.58213169
  H     13.82178750      8.19762231    -14.52489602
  H     14.02474723      6.53972924    -10.58986348
  O     17.67438261      5.30656270    -13.39087626
  H     14.20419897      8.72156573    -15.90956900
  H     10.81158615      6.01544992    -12.63039349
  O     11.20584570      4.79979815    -15.56959959
  H     18.23235549      3.89960055    -10.81093912
  H     10.96067707      5.98370049    -14.18566926
  O     14.49328518      7.34973666    -10.83541823
  H     17.45845329      2.70412382    -11.38366389
  H     10.16965055      4.74106659    -10.44785581
  O     11.00374974      6.55605005    -13.40703497
  H     18.63591196      5.62874659     -8.90697647
  H     11.66917829      4.85956360    -10.80407590
  O     10.77180899      4.86037492    -11.17791978
  H     17.75100298      6.02122297    -10.11008788
  H     14.05872550      4.54409576     -9.75981879
  O     13.41743139      4.80743993    -10.43708295
  H     17.42811015      7.97651241    -11.84596144
  H     13.62054681      4.25576842    -11.20633455
          69
 Energy    -250.14679743497072     
  O     11.64986084      8.83893379    -14.52809094
  H     12.03796538      9.49330412    -15.11944021
  H     16.52327335      5.84217370    -12.39646581
  O     16.69747019      7.62376104    -11.99018644
  H     12.04224887      7.98594319    -14.75868879
  H     19.69848269      7.39974341    -15.87055309
  O     16.86005621     11.63589826    -14.19307638
  H     17.34276978      8.24671954    -12.35097457
  H     18.38625627      6.75168572    -15.36713328
  O     16.33849507      8.39098622    -16.48480411
  H     16.22084018      8.06034852    -11.27147936
  H     16.11570467     11.42405311    -15.99863574
  O     13.44256558      4.93890338    -12.58153767
  H     17.14308886     12.29377432    -13.54595068
  H     15.87288921     10.16015748    -16.83236405
  O     15.59891938     12.48088642    -10.13488838
  H     15.94793169     11.41427902    -13.95084638
  H     14.32349757      7.68344847    -14.25086863
  O     15.16188109      8.86520695    -10.04168291
  H     17.26649434      8.20492204    -16.29500005
  H     15.56827068      7.98205264    -13.34814374
  O     14.26650852     10.89660944    -13.60835528
  H     15.89282709      8.43160568    -15.62255090
  H     11.44336713      9.05313475    -12.79289682
  O     15.04121308      5.98645330    -16.93487342
  H     13.00464121      4.18661249    -12.19238789
  H     10.40976629      9.10187379    -11.64697099
  O     17.17084682     10.42729113     -8.87656435
  H     13.33698412      5.67956928    -11.95645266
  H     18.48514687     11.75940372    -11.33264849
  O     17.38203187      5.34713472    -15.29243287
  H     16.07484751     11.85468625     -9.57495591
  H     18.79963190     10.31985244    -11.77483945
  O     16.31621424      4.98478566    -12.79528600
  H     14.76086534     12.05547170    -10.35548011
  H     13.85586984      7.56047903    -10.52276852
  O     18.84982771      7.60176161    -15.48602430
  H     14.57700741      9.56416381    -10.36755903
  H     12.49373920      7.73542330    -11.22765145
  O     15.57414755     11.07243968    -16.71621901
  H     15.83934010      9.30516107     -9.51290507
  H     17.85596237     10.13752025    -13.73528209
  O     15.01965840      8.32528546    -14.06539939
  H     13.69721139     11.11543135    -14.35508967
  H     18.61817592      8.81962343    -14.07540467
  O     11.34651938      9.11536154    -11.82630257
  H     14.49338690      9.95821204    -13.71713661
  H     16.74517305     13.04593110    -11.34037532
  O     18.78664299     10.90276091    -11.00482504
  H     14.95069485      5.74758040    -17.85433791
  H     17.67704874     14.17771403    -11.83171898
  O     13.14766300      7.07626440    -10.96390690
  H     15.48001172      6.85353201    -16.91404517
  H     12.62457767     10.36275887    -11.12368250
  O     18.35504096      9.40170692    -13.35236614
  H     17.80797626     10.53661938     -9.60552477
  H     13.77206973     10.97220297    -11.93194281
  O     17.46214721     13.25837219    -11.96468581
  H     17.67724021     10.40163160     -8.06943845
  H     13.83594977     11.01872622    -16.37838169
  O     13.44930374     10.85203275    -11.02416009
  H     16.60471860      5.37006074    -15.85865645
  H     12.42774887     11.62154286    -16.57111039
  O     12.91845277     10.98823674    -16.05357818
  H     17.05763753      5.12937882    -14.40460151
  H     13.69740346      6.16179665    -15.61434183
  O     13.12305376      6.46070272    -14.89787342
  H     15.36327770      4.87569498    -12.70518842
  H     13.18909561      5.82447598    -14.17205463
          69
 Energy    -250.14652583796885     
  O     12.58488621     11.21048614    -16.23292553
  H     12.92966064     12.06281848    -15.94293817
  H     16.70701899      9.78619941    -16.96580932
  O     15.21233038      7.57730224    -13.72638445
  H     11.93726532     10.91065008    -15.57337680
  H     13.96860389     10.26666905    -15.42397782
  O     16.40403874     11.44564178    -11.46334299
  H     14.93433731      8.40470191    -14.15439064
  H     15.52164140     10.07423023    -15.31654488
  O     16.58465614     12.88098093    -15.69786694
  H     15.89238833      7.83553880    -13.09031655
  H     11.20864070     10.31912410    -13.36607181
  O     12.54087105      7.21344430    -16.66588157
  H     17.06290212     11.92406628    -11.98072842
  H     10.83908365      9.24597919    -14.40116233
  O     12.79670674     10.05278561     -8.96003472
  H     15.55139834     11.61353640    -11.88998673
  H     16.61591812      7.03275410     -8.81966485
  O     12.76768458      7.50180084    -12.39930504
  H     17.07737551     12.90651304    -14.86732053
  H     15.31919978      7.48758812     -9.53147060
  O     14.04522312     11.69997578    -12.85694764
  H     15.68202629     13.14743526    -15.49243018
  H     11.48669503      7.27032415    -15.30785273
  O     13.58338658      7.38355775     -9.71148886
  H     13.43312981      6.86168712    -16.55884851
  H     10.16559286      6.78805418    -14.66111995
  O     15.24372177      6.45497892    -16.23972765
  H     12.61250612      7.94202606    -17.29414791
  H     19.01740138     13.05689789    -13.20291959
  O     18.65614716      9.96948022    -13.91564746
  H     12.43770506     10.37503472     -8.13791098
  H     18.45709460     11.65394783    -13.53575875
  O     17.08093640     10.22362831    -16.18789304
  H     13.74923663     10.25778202     -8.95063380
  H     16.77582013      9.64595159    -11.79458571
  O     14.68044428      9.95647343    -14.85275487
  H     12.09284653      7.34457553    -13.07126062
  H     16.87086314      8.27763854    -11.08632411
  O     10.96079655     10.19745802    -14.29069210
  H     13.62535992      7.43876097    -12.84241564
  H     15.86396716      9.52855846     -9.04387155
  O     16.26955717      7.67678797     -9.43114664
  H     13.33151568     11.25945974    -12.37686766
  H     15.86465888     10.88470011     -9.77707096
  O     10.92252840      7.34963111    -14.51735855
  H     14.34819402     11.06536732    -13.52670774
  H     14.80447276      8.99642078    -18.21372741
  O     18.20510394     12.56929101    -13.31209771
  H     13.24121644      7.28498530    -10.61008597
  H     15.60668523      7.90824706    -17.47653170
  O     16.99409830      8.71407359    -11.93860631
  H     13.20215795      8.20224394     -9.37153109
  H     12.22270897     10.19094412    -10.71990424
  O     15.48446280     10.41551083     -9.02217106
  H     15.71251948      5.62533844    -16.28601953
  H     12.36207019      9.23375031    -11.92633141
  O     15.70174276      8.70821110    -18.00863549
  H     15.30953778      6.76185824    -15.32031629
  H     13.85557929     12.94667665    -14.12523392
  O     12.11379445     10.13634572    -11.67742373
  H     18.17266225      9.91523483    -14.75388997
  H     13.48847289     14.31599272    -14.74332511
  O     13.81706975     13.44649215    -14.95866452
  H     18.21788343      9.37547330    -13.29540841
  H     12.52377097      9.78417099    -19.12462613
  O     12.94823686      9.49332027    -18.32141199
  H     16.94811280     11.18209680    -16.24643303
  H     12.77848022     10.17689064    -17.65123296
          69
 Ord_Energy   -250.146057    
 O   -1.10792649      -1.83080065       4.62800407    
 H  -0.336867809      -1.27493441       4.45614243    
 H   -1.11691988      -2.52168489       3.95373416    
 O   0.392161787     -0.418467313       1.16024470    
 H   0.811028659      0.262657672      0.621376812    
 H  -0.550086617     -0.189808145       1.17163169    
 O  -0.386574447       3.51914167       1.38223910    
 H  -0.489547580       3.02324343       2.20528173    
 H   0.381937891       4.09727383       1.50577247    
 O   -5.51350164       1.09917831     -0.199297845    
 H   -6.40738010       1.27566111     -0.480748147    
 H   -5.33731079       1.68858385      0.556207597    
 O    1.53029895       3.89821649       4.64182043    
 H   0.727268100       3.38085532       4.46148539    
 H    1.43716598       4.25019598       5.52336073    
 O    1.94985366       4.80266333       1.97232544    
 H    1.90558970       4.64399624       2.92485762    
 H    2.57426143       4.15338135       1.62371469    
 O    1.07200003       1.82699418     -0.352270067    
 H   0.503594756       2.41105509      0.169136167    
 H   0.525181353       1.45355070      -1.06003940    
 O   0.940343499      -8.77108499E-02   3.82012033    
 H   0.810130835     -0.295605570       2.88230467    
 H    1.77862155      0.392404556       3.87705803    
 O  -0.558336616       2.25810409       3.88375640    
 H   -7.00981021E-02   1.42179227       3.89480662    
 H   -1.49870157       2.03955388       3.90575194    
 O   -4.00513172      -2.44386387       2.42294812    
 H   -4.03502131      -1.94489002       3.24697971    
 H   -3.20602393      -2.98501801       2.47493982    
 O   -2.24429131      0.389706433       1.06391525    
 H   -2.82349491     -0.341408104      0.813947320    
 H   -2.33898449       1.04389656      0.360523880    
 O   -4.12217188      -1.37162459      -5.66167682E-02
 H   -4.22498131      -1.81627691      0.800727189    
 H   -4.71874046     -0.613421977      -8.74505565E-02
 O    3.07471585       1.65408719       3.68671370    
 H    3.25460076       1.89132893       2.76862550    
 H    2.71058202       2.44865060       4.09525251    
 O    3.38930821       2.53460217      0.952513635    
 H    2.64051318       2.24556351      0.404803813    
 H    4.16878557       2.46197343      0.406994909    
 O   -2.06457043      -1.88208675      -1.81232584    
 H   -2.37172890      -2.34601116      -2.58781815    
 H   -2.84417510      -1.73596370      -1.25038230    
 O  -0.423510671      -2.91680717      0.278849840    
 H  -0.938810647      -2.67204762     -0.498353124    
 H    3.31020318E-02  -2.10846972      0.552267671    
 O   -2.99316025       2.10121202      -1.09781969    
 H   -3.89124250       1.77153301     -0.968993366    
 H   -2.95434546       2.97480559     -0.687078476    
 O   -2.79302192       4.41556549      0.477107793    
 H   -2.74960279       5.35170174      0.300152123    
 H   -1.91909587       4.15337992      0.814983904    
 O   -1.51081944      -3.79452729       2.59055161    
 H   -1.31950486      -4.72156763       2.70608711    
 H   -1.10722327      -3.53026247       1.74504590    
 O   -3.64592338     -0.986467421       4.87860823    
 H   -2.71516395      -1.27984142       4.86212540    
 H   -3.99521518      -1.22258413       5.73327494    
 O   -3.14539480       1.36920619       3.49013066    
 H   -2.81401277      0.997362375       2.65722847    
 H   -3.40616202      0.620695770       4.04178381    
 O  -0.765113175      0.718944252      -2.06855321    
 H   -1.54691362       1.26669955      -1.91158378    
 H   -1.08203566     -0.190074921      -2.02292728    
 O   -4.80966234       2.82354689       1.77968371    
 H   -4.33752823       2.38746262       2.50250793    
 H   -4.19578457       3.47400904       1.41796494    
          69
 Energy    -250.14560595123012     
  O     13.28961377      9.65469616    -16.56711628
  H     13.19844431      9.52011124    -15.60441458
  H     17.02575821      9.70280158    -17.59707761
  O     16.64975438      5.96195461    -13.06444523
  H     12.50358255     10.10778968    -16.85819694
  H     17.28466002      7.69685589    -15.29598902
  O     17.90037945      9.98395021    -12.72936028
  H     16.57464620      5.13755983    -13.55882835
  H     15.76570843      7.52827371    -15.65977837
  O     19.99756022      9.64405869    -16.62290186
  H     16.45244555      6.67265135    -13.69598148
  H     13.85790153      9.51134296    -13.32557120
  O     13.76122605      5.24431633    -14.98041776
  H     16.94680359      9.87414724    -12.60665006
  H     12.89945184      8.33433517    -13.59000162
  O     15.97315560     10.46822869     -9.51817827
  H     18.28670325      9.09833988    -12.74977656
  H     18.97066844      9.03186289     -9.90078964
  O     14.86546444      6.90805329    -11.23965329
  H     19.50628526     10.28839481    -16.08061570
  H     18.04841554      7.85331864     -9.55855819
  O     17.72166494      5.23686210    -16.73838277
  H     20.83558639     10.04360743    -16.83755861
  H     13.02904127      6.05314848    -13.63909989
  O     16.22443311      7.65094037     -8.96243527
  H     14.54237713      4.68104052    -14.94022825
  H     11.75954732      6.21849235    -12.77036547
  O     19.10273788      7.27880644    -15.40936632
  H     13.90545945      5.84227516    -15.72738005
  H     17.56237040     11.21938948    -15.54961009
  O     16.27995183      3.87695401    -14.89470281
  H     16.02664300      9.56465132     -9.18117136
  H     18.31594144     10.90550341    -14.24993496
  O     17.63046515      9.21236195    -18.17021798
  H     16.88860187     10.75175942     -9.63576612
  H     19.10993560      7.54544472    -11.65574043
  O     16.38106445      7.89018434    -15.00753920
  H     14.01497085      6.76481040    -11.67297139
  H     18.24168360      6.77580689    -12.68035402
  O     13.16298564      9.20075107    -13.92099772
  H     15.52941486      6.48021330    -11.80196973
  H     19.28419169     11.67011752    -10.31751338
  O     18.91051023      8.06910978     -9.93489661
  H     17.34117160      5.69973990    -17.49348782
  H     18.46495629     10.68267650    -11.17893202
  O     12.63757891      6.56411851    -12.90728864
  H     18.33551310      5.85721850    -16.32103314
  H     16.56695746      6.69164343    -19.73947308
  O     18.43562175     11.26895275    -15.13867651
  H     15.69107151      7.33781616     -9.71162974
  H     16.95705812      7.69791611    -18.62917447
  O     18.99090374      7.38386870    -12.60348832
  H     15.94883893      7.14535763     -8.20160488
  H     15.34945049     10.07034360    -11.18875773
  O     18.70326185     10.91579251    -10.26518102
  H     19.51952007      8.05157510    -15.81123397
  H     15.10590101      8.68288423    -11.81298836
  O     16.52009527      6.84341374    -18.79957395
  H     19.27166299      7.30917491    -14.45771810
  H     16.15136086      9.61198846    -15.63655823
  O     15.21625270      9.61683756    -12.03433919
  H     16.49506693      2.94958274    -14.94107985
  H     15.05140583     10.35983194    -16.40533483
  O     15.99134089     10.38765310    -16.19623005
  H     16.79568032      4.31970719    -15.59313987
  H     14.02661799      7.97007338    -16.95758946
  O     14.46192838      7.10835721    -16.91938465
  H     18.50926013      9.34389717    -17.79662222
  H     15.05550806      7.02326547    -17.67647023
          69
 Energy    -250.14554677690910     
  O     10.30107770      9.07604403    -11.45895681
  H     10.60079926      8.22532607    -11.09067770
  H     15.84522778     11.76927624    -13.81162567
  O     14.46499310      7.40741114    -15.56568569
  H      9.60559386      9.39437116    -10.89050360
  H     17.19410704      8.68152977    -14.25132835
  O     17.41325317     10.28698401    -10.48947364
  H     15.10894437      7.87296634    -15.00775866
  H     16.47273078      7.53116290    -13.53967045
  O     18.24613129     11.30995189    -15.92802607
  H     14.92988450      7.21348983    -16.38753334
  H     12.28699961      6.88710623    -10.67044122
  O     12.60511196      9.37143253    -15.09442833
  H     17.55918916     11.07531543     -9.97297725
  H     11.22525688      6.09627140    -11.44762320
  O     14.00602988      5.67557193    -13.42484902
  H     16.72183999     10.50054135    -11.13882365
  H     17.57860837      6.65755952    -10.52952546
  O     15.50426212     10.60131388    -12.41067677
  H     17.49680290     11.68958160    -15.43510440
  H     18.71327706      5.61100322    -10.39675326
  O     16.16346905      9.99185034    -17.44955705
  H     18.75509787     12.04414722    -16.26146348
  H     10.60181026      4.71923357    -13.57385374
  O     18.93711312      8.85728683    -14.77357974
  H     12.96062383     10.12593575    -15.57972564
  H     10.92032027      6.23294166    -13.60880635
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  H     19.04889757      7.81216862    -11.74055303
  O     18.12150573      6.40027084    -15.82823172
  H     14.10548996      6.18712760    -14.24129561
  H     18.71977356      9.29352267    -11.50443561
  O     16.02630352     12.20995814    -14.65221057
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  O     16.34784585      8.43689962    -13.85357691
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  H     15.91271602      5.45177671    -13.25340877
  O     11.34197722      6.68327885    -10.69031988
  H     15.79507170      9.81865632    -12.90743199
  H     16.68887843      8.60667020     -9.94474748
  O     18.24724942      6.15231594    -11.02792804
  H     16.96847162     10.32679590    -17.03783092
  H     15.52543989      7.63079228    -10.26551846
  O     11.21251012      5.37576841    -13.24961380
  H     16.27306913      9.04075457    -17.56575041
  H     13.69511685     11.92484073    -17.20504343
  O     19.25842905      8.70299123    -12.04493764
  H     18.86811927      9.75526739    -15.11951727
  H     14.74138999     10.82752036    -16.89852660
  O     16.83005754      5.72066501    -13.38544634
  H     19.18294455      8.88955042    -13.83550373
  H     13.65761107      8.30227019    -11.63962300
  O     16.39369844      7.69377717     -9.84356363
  H     16.98612649      6.83705838    -17.05057588
  H     14.05174852      6.84590257    -11.99814029
  O     14.00954871     11.34544927    -16.51550509
  H     16.40600134      6.64192010    -18.47207876
  H     11.97985901      9.73464707    -11.98119296
  O     13.99552097      7.47694814    -11.26771567
  H     17.72737805      6.01553723    -15.03443875
  H     12.77267638      9.70296986    -13.31305231
  O     12.86236292      9.83380882    -12.35751861
  H     18.56945200      7.20632495    -15.53404314
  H     10.25339533      8.34132397    -13.24746573
  O     10.45045671      7.86078471    -14.06110835
  H     15.26810723     12.02344912    -15.21900468
  H     11.08492772      8.40667928    -14.54358583
          69
 Energy    -250.14472804927416     
  O      0.71039107     -0.30122204      5.37125307
  H      1.19917986     -0.44074991      6.17860766
  H     -2.54154099      4.48426462      0.57345158
  O      1.88992922     -0.89280181     -2.47785687
  H      0.59547246      0.66189835      5.27508431
  H     -1.22934359     -0.43399966      5.35671380
  O     -0.43148662     -0.00586819     -1.10395250
  H      1.04879102     -0.49723905     -2.21209763
  H     -2.34928122      0.62837657      5.52887056
  O      1.61729532     -3.49900815     -1.29283513
  H      1.81581283     -1.82894629     -2.25390745
  H      0.35654288      1.97136371      1.71786787
  O      3.05836814     -2.37305699      0.72213760
  H      0.15145408      0.24936748     -0.37502181
  H     -0.90156082      2.92400499      1.77687710
  O     -3.82532597      2.85337073      3.39501341
  H     -0.70282217     -0.91814187     -0.93524829
  H     -3.27544756      1.01270917     -0.40767204
  O     -3.35050762     -3.61964070      2.56462839
  H      2.13603485     -3.16697027     -0.53789483
  H     -1.88486827      1.15211898     -1.04645178
  O      0.14592443      2.31972237      5.03302551
  H      1.99811822     -4.33769468     -1.53919788
  H     -1.34856951      0.88244109      2.40548041
  O      3.63043126      0.09524813     -0.63744254
  H      2.63349520     -2.11051997      1.54889784
  H     -2.09144580     -0.03416708      3.41136709
  O     -5.56717531      0.69691906      2.72928710
  H      3.41544400     -1.56306318      0.33716423
  H     -0.88213545     -2.69098825      0.43892994
  O     -4.43373948     -1.59488540      4.15458689
  H     -3.39981998      3.13336269      2.57670756
  H     -0.14077806     -3.08666268     -0.86681459
  O     -2.42126791      3.63333247      0.98617371
  H     -4.45503384      2.15900649      3.16318029
  H      0.70308045     -1.89458945      2.64369994
  O     -2.17301183     -0.27556278      5.23296734
  H     -3.66191407     -3.47456038      1.66530808
  H      1.33302043     -0.99860534      3.72999692
  O     -0.28434077      2.40021581      2.30243120
  H     -3.81097800     -2.97681857      3.12590671
  H     -3.07834818      2.92747653      6.44354939
  O     -2.67961013      1.65294971     -0.81849284
  H      0.07510280      2.45064778      4.07587660
  H     -3.04229936      2.65139567      4.92161233
  O     -1.87603076      0.07836227      2.47557599
  H     -0.73594647      2.49792116      5.38198015
  H      1.41720149      0.01477296      1.61401109
  O     -0.96601095     -2.71957103     -0.52765677
  H      3.08374445     -0.21411450     -1.38224561
  H      2.20742440      0.64268143      0.43489226
  O      1.48058289     -1.35058506      2.84428859
  H      4.39742612      0.51884691     -1.01203608
  H     -1.20722801     -1.55470853      2.26386699
  O     -2.60235674      2.45239339      5.76816581
  H     -5.11501050      0.34490222      1.94313173
  H     -1.67854790     -3.01929974      2.43193522
  O      1.38200728      0.70032666      0.93124306
  H     -6.49707366      0.73329891      2.51857617
  H     -4.13222686     -3.39160648     -0.95483124
  O     -0.91352895     -2.47601477      2.19198806
  H     -3.70699152     -1.23538123      4.68031327
  H     -2.75534771     -2.89053467     -0.46702750
  O     -3.70654655     -2.88475679     -0.26785843
  H     -4.88869848     -0.83314124      3.77994591
  H     -3.97561794     -1.17155597      0.37064938
  O     -3.99375547     -0.27782805      0.73299936
  H     -2.53527491      2.96325476      0.28810878
  H     -3.23028195     -0.18595214      1.32616984
          69
 Energy    -250.14449204867452     
  O     12.59760547      3.16935742    -10.34538304
  H     12.19100657      3.59794862    -11.11096540
  H     18.18990469      6.67238634    -16.96777206
  O     18.40473559      5.88210028    -10.92540521
  H     12.40914353      3.74741498     -9.59683005
  H     17.53682864      6.05293949    -14.56285840
  O     14.07800902      8.71463522    -12.26824030
  H     17.91666069      5.17445709    -10.47900038
  H     16.77291009      5.25006810    -13.47170056
  O     13.88327170      8.95599929    -16.34983062
  H     18.23200916      5.79029359    -11.86951100
  H     13.27244684      5.67201498    -11.60707169
  O     18.01986199      8.43352879    -10.21451870
  H     13.85939032      9.13097235    -11.42533674
  H     14.12180078      6.97628171    -11.66816687
  O     14.78402011      5.72369878     -8.73220239
  H     15.03718306      8.74086308    -12.40124141
  H     14.17012316      2.50955937    -10.76815063
  O     16.81608567      4.00333184     -9.65118333
  H     13.35735346      9.56049847    -16.86792067
  H     15.04348175      1.25528563    -10.99801043
  O     12.51417775      7.77466368    -14.24940587
  H     13.30866344      8.62023667    -15.64354398
  H     14.16487329      9.15553818     -9.31142163
  O     14.67608078      6.22087357    -16.88402226
  H     18.83709640      8.80671150     -9.89608337
  H     13.20256525     10.36912215     -9.28087484
  O     12.03926904      5.16072884     -8.34655022
  H     18.19740280      7.49283031    -10.40639829
  H     12.04909299      8.14225930     -9.73685330
  O     16.63053089      9.07270771    -15.51111719
  H     14.62803338      5.82566417     -9.68527739
  H     11.03576191      7.44239873    -10.67094593
  O     17.46606761      6.62705548    -16.34871911
  H     13.92489570      5.48634189     -8.36641161
  H     17.22978777      8.63362096    -11.89484539
  O     17.43978526      5.93784146    -13.61033183
  H     16.17536501      4.53903970     -9.16469186
  H     16.96841987      7.60372786    -13.02022180
  O     14.13509206      6.05153656    -11.39529122
  H     16.29811090      3.32445538    -10.09736071
  H     15.38605659      7.45713002     -8.60944908
  O     15.04465895      2.20589517    -11.07005097
  H     12.82567297      6.86983908    -14.40044849
  H     16.43555162      8.43025113     -9.20542557
  O     13.35865948      9.53316472     -9.71111292
  H     13.07488694      8.16934089    -13.56030924
  H     11.07165728      7.56460644    -13.17574994
  O     11.42762192      7.40571454     -9.79139456
  H     14.41539428      7.14944410    -16.88445855
  H      9.56248495      7.56812775    -12.84137079
  O     16.76142399      8.50461567    -12.72879226
  H     15.63498739      6.22418049    -16.77224880
  H     15.05690809      4.90345672    -12.38144784
  O     15.58069221      8.39269042     -8.76025581
  H     11.78615191      5.95378454     -8.85116402
  H     15.35689101      3.39863177    -12.48539384
  O     10.41751291      7.31310943    -12.50322148
  H     11.43780674      5.10400606     -7.60879379
  H     12.19405369      4.80151620    -13.31668757
  O     15.37903227      4.21925490    -12.99101551
  H     15.69735236      9.15283198    -15.74418851
  H     11.14842071      5.55534869    -12.44853723
  O     11.77042077      4.81869825    -12.44673750
  H     16.68262517      9.06528447    -14.54642330
  H     13.77919602      5.40511925    -15.55732002
  O     13.38903198      5.14876317    -14.70877910
  H     17.24062756      7.54458609    -16.10930215
  H     14.10401222      4.74766077    -14.19475842
          69
 Energy    -250.14355435313252     
  O      0.53048666      2.53816721      2.88579520
  H      1.09740581      3.23112175      3.21456054
  H     -3.35383418     -0.23554386      5.11558987
  O     -0.22912544     -3.46691666     -2.30689370
  H      0.11864517      2.12126390      3.66477876
  H     -4.89034423      2.29045358     -0.07536746
  O     -0.67257535      1.31738009      4.98617302
  H      0.16644865     -3.92719055     -1.55702871
  H     -5.47853830      2.31939871     -1.50721158
  O     -2.14213403     -1.96451610     -0.89462588
  H     -1.02885082     -3.04708067     -1.95960492
  H     -2.90449317      2.23029679     -1.19646843
  O      0.99129094     -4.33387202      0.17617197
  H     -1.63874042      1.27635202      4.99711629
  H     -1.45588995      1.66556090     -1.20058815
  O      2.28146624     -1.94538751     -0.08492988
  H     -0.37754337      0.43869362      5.25126955
  H     -3.65779431     -0.28006657      0.88201484
  O     -4.83313762      2.81980543      1.58247047
  H     -1.52638867     -1.21921070     -0.94841922
  H     -4.52869521      0.20568051     -0.30920047
  O     -2.91809392     -1.94110315      5.40512843
  H     -2.99627871     -1.58485058     -0.64927111
  H     -2.31213639      1.18817841      1.92440542
  O     -1.99103220      2.93210704      1.62740605
  H      1.63797876     -5.02713010      0.27810997
  H     -2.89485144      0.35844878      3.09130361
  O      1.40750198     -1.33511054     -2.74194812
  H      1.48416739     -3.49408801      0.14889678
  H     -0.67996266     -4.03540214      0.93077791
  O     -5.88638377      0.95233290      3.54230502
  H      2.15264177     -1.70360866     -1.01107607
  H     -1.80064053     -3.07306980      0.46764192
  O     -3.40632201      0.68430482      4.80962848
  H      2.06412638     -1.15424571      0.42359783
  H      0.61817755     -0.37972997      1.78015507
  O     -4.81442713      1.90137532     -0.96627491
  H     -3.90002513      2.99129715      1.76840095
  H      1.04359489      1.10345601      1.75560576
  O     -1.97954437      2.46484347     -1.05529374
  H     -5.16189387      2.23585185      2.27572232
  H      0.26133306     -0.20206591     -1.76762699
  O     -4.25029567     -0.58207506      0.17425834
  H     -1.95871881     -1.90228168      5.50643509
  H      0.15365975      0.27207155     -0.29493999
  O     -2.54421072      0.28870012      2.19293479
  H     -3.09269767     -2.53098753      4.66185372
  H     -0.15898786     -1.51911839      4.35200690
  O     -1.51157862     -3.62987249      1.20769542
  H     -1.10827132      2.95910032      2.01219074
  H      0.70948598     -1.93922557      5.56244834
  O      1.12105098      0.27376097      1.27028494
  H     -1.89804175      2.89056177      0.66137589
  H     -0.76578473     -2.27470588      2.16566642
  O     -0.34857709      0.16309943     -1.11466686
  H      0.83843814     -2.12506669     -2.71047081
  H     -1.23401493     -0.83224736      2.49053504
  O     -0.08857157     -1.47612458      5.32180824
  H      1.76359798     -1.28325022     -3.62440791
  H     -2.85609162     -3.63726012      2.44521986
  O     -0.51221979     -1.46722463      2.62710485
  H     -5.81537738      0.05191042      3.17845161
  H     -3.90633766     -4.44126391      3.23271649
  O     -3.55500880     -3.56085750      3.11292478
  H     -6.77958317      1.04855572      3.86258896
  H     -5.24544291     -1.28454696      1.55274679
  O     -5.53283397     -1.52214848      2.44624351
  H     -4.31887357      0.85968930      4.55163885
  H     -4.92608718     -2.21224926      2.73460656
          69
 Energy    -250.14311817113128     
  O     12.72579442     11.58903153    -10.78142789
  H     11.77140727     11.45107818    -10.80207635
  H     13.65200277     13.70364569    -12.64809448
  O     11.07707779     11.67144752    -15.38197297
  H     12.85529388     12.46358090    -11.17793903
  H     11.51190320     14.74920875    -14.71144300
  O     13.59106185      9.63039512    -12.60261384
  H     11.19252991     12.15893549    -16.20771465
  H     11.97680063     14.55168360    -16.16227270
  O     18.50460003     14.20523303    -12.72336182
  H     10.92462509     12.33117943    -14.68881746
  H     14.45167928     12.26328239    -14.34236240
  O     13.65458281     10.77749996    -15.09826471
  H     14.54206364      9.47324789    -12.54457349
  H     14.90755814     13.76364461    -14.26031014
  O     14.79281116     15.35213793    -10.27520895
  H     13.36524195     10.28646600    -11.92720369
  H     17.79785361     12.38149231    -15.33824267
  O     10.79920789      9.64254454    -13.37581978
  H     17.78647180     14.86305125    -12.67054256
  H     18.21396896     13.63376278    -14.52753172
  O     14.82027862     15.46270252    -14.88614852
  H     19.30131232     14.64186469    -12.43588261
  H     12.74558330     13.12974984    -17.72623673
  O     14.43764875     12.87285086    -17.93289884
  H     12.75553020     11.09787767    -15.25274704
  H     11.40484072     13.49843625    -18.40523857
  O     10.68638023     13.50140295    -13.31168925
  H     13.65365766     10.31760104    -14.24739784
  H     17.04723242      8.96940505    -12.24234642
  O     16.39596712     14.72524943    -17.08853389
  H     14.97271563     14.44037368     -9.98364924
  H     16.61366312     10.44953754    -12.35243287
  O     13.01754422     14.06834475    -12.01194905
  H     14.69872437     15.88145380     -9.48784561
  H     16.74480173     10.43372815    -15.96548868
  O     12.12092094     15.09038928    -15.37403400
  H     11.71675635      9.43297973    -13.16101005
  H     17.02520898     10.17836022    -14.46912667
  O     14.80496635     12.94377401    -13.75812723
  H     10.81944229     10.17702086    -14.18069101
  H     15.05483418      9.45399651    -17.61759185
  O     17.94679463     13.33605190    -15.40327698
  H     13.86983140     15.44140152    -15.07390904
  H     14.67246231     10.38251904    -16.43793552
  O     11.79650473     13.27968251    -17.56402363
  H     15.30137943     15.35215493    -15.71588651
  H     16.05646093     12.44406472    -12.62627637
  O     16.41964769      9.54944924    -12.66743908
  H     15.11776714     13.51493131    -17.69455138
  H     17.48083032     12.76764434    -12.13018480
  O     17.36588201     10.62393254    -15.25107719
  H     14.81942404     11.99983698    -17.78419526
  H      9.14552124     11.11697809    -11.04417021
  O     15.29825845     10.26367674    -17.17585449
  H     10.24875639     12.90330835    -12.69435201
  H     10.16794293     10.70411496    -12.12819874
  O     16.73713023     12.16973738    -11.98967231
  H     11.48044544     13.80140914    -12.84203807
  H     15.84581234     15.79171005    -11.80765730
  O      9.95226299     11.39095079    -11.47210228
  H     16.99185546     14.22075315    -16.50296382
  H     15.81735970     15.87499215    -13.36022443
  O     16.40142300     15.88961998    -12.58976226
  H     16.95042496     15.24362640    -17.66504197
  H     15.78101139     12.45525988    -10.42423887
  O     15.16773960     12.70684615     -9.71907095
  H     13.50931466     14.65182606    -11.42360802
  H     14.36777144     12.18726181     -9.86146431
          69
 Energy    -250.14298875032171     
  O     11.51191276     11.44165819    -13.90154227
  H     10.64811564     11.79029540    -13.69839244
  H     18.10401029      7.53597234    -16.56414902
  O     18.01396726     10.49702121    -13.26884507
  H     11.71441536     10.78049434    -13.21541928
  H     15.44667212     13.98924153    -16.87253677
  O     17.19238083     11.01360075    -15.90280121
  H     18.02440803     10.77512757    -14.19276416
  H     14.87028291     13.03250285    -15.80419867
  O     12.51160776      7.27902004    -15.60652261
  H     17.14447456     10.77799768    -12.94122566
  H     15.15471078      8.59945352    -15.32208555
  O     16.70122154      9.53529832     -8.82149058
  H     16.45855327     10.44974065    -15.61274584
  H     14.18130021      9.78780050    -15.31876379
  O     15.31941467      7.15737033    -11.93019265
  H     16.77247199     11.82860585    -16.20185710
  H     12.81956406      9.64665861    -11.41884288
  O     15.39381154     11.03219126    -12.70837420
  H     12.52926423      7.08613884    -14.66072474
  H     12.19204712      8.61997561    -12.36923426
  O     18.00413132      8.93297189    -17.56638237
  H     13.38674123      7.03605317    -15.93618552
  H     18.67748435      7.18757946    -12.00011113
  O     16.76883970      6.76222016     -9.63336234
  H     17.43397806      9.71319968     -9.43780254
  H     19.93063196      6.50737518    -11.39820925
  O     15.45803505      8.62789784    -18.77781452
  H     16.92289584      9.96548897     -8.00010451
  H     12.35339812      6.08397750    -12.35075290
  O     15.22644753      7.08362840    -16.42764545
  H     15.73143916      6.87502254    -11.09917592
  H     13.66184723      6.88355678    -12.52765012
  O     18.02495659      6.75723963    -15.98243981
  H     16.04343739      7.35445734    -12.53745200
  H     17.82727543      7.37365349    -14.27485721
  O     15.40196480     13.07117070    -16.61974551
  H     15.05940762     10.61683782    -11.90443023
  H     17.79372666      8.67451100    -13.40139987
  O     15.02971918      9.48646991    -14.96583066
  H     15.20452081     10.42439814    -13.44170011
  H     19.04674567      8.89341491    -10.72734656
  O     12.12043612      9.53608100    -12.07539669
  H     17.21710091      8.85254653    -18.12066026
  H     18.63096170     10.16114975    -11.49733541
  O     19.16484826      7.02930808    -11.17363341
  H     17.87263455      9.73913918    -17.04809832
  H     13.49213307     10.63243666    -17.46669786
  O     12.73124416      6.83504386    -12.80282687
  H     16.71412488      7.62216004     -9.19798743
  H     14.61075553     11.67745160    -17.67558362
  O     17.67198873      7.71460211    -13.38545627
  H     17.64961090      6.72914125    -10.02891941
  H     14.76113090      8.69866777    -11.05445174
  O     18.74069646      9.80122149    -10.60812641
  H     15.01998533      9.46962331    -18.55533964
  H     15.15976387      9.60093595     -9.86733128
  O     14.19957143     10.90103849    -18.07158511
  H     15.18928018      8.40788163    -19.66556607
  H     14.52515771     12.36938499    -13.65759153
  O     14.51292010      9.50370332    -10.57696126
  H     16.12473782      6.77840591    -16.25867812
  H     13.09572662     12.48429128    -14.20514908
  O     13.98755659     12.83413836    -14.31358856
  H     15.25480042      7.55782548    -17.27177642
  H     12.35517217      9.03867655    -15.95075577
  O     12.50534486      9.98712516    -16.08675544
  H     18.60919477      6.09040170    -16.33255618
  H     12.03908371     10.47340439    -15.39667202
          69
 Energy    -250.14286453272740     
  O     10.00188612      9.58815631     -9.10385887
  H     10.21679495     10.28754502     -9.74674099
  H     11.11445922     12.34586661    -10.62084335
  O     13.70103699      9.01907040    -16.82391365
  H      9.05437306      9.59741340     -8.99289484
  H     13.49669914     13.44179326    -13.30842207
  O     11.27355419      7.63985870    -10.80277624
  H     14.14959846      8.92587674    -17.66019009
  H     13.86119086     12.05110754    -13.83533955
  O     14.16715270      8.17426121    -14.17791251
  H     13.46577793      9.95980460    -16.73698435
  H     16.84133716      9.37541399    -11.93032575
  O     12.94055894     12.88333931     -7.55283415
  H     12.16877015      7.54661556    -10.45144518
  H     18.14639343     10.09236473    -12.34200228
  O     12.82456602     11.59654773    -16.54152259
  H     10.79969132      8.19717465    -10.17499129
  H     15.30913767      7.76020531    -11.19475744
  O     11.54509033      8.51862157    -13.38748618
  H     14.11995040      8.33923900    -15.12823407
  H     15.38787870      7.79915899    -12.73507237
  O     14.34105245      8.89094729     -7.26729384
  H     13.25385846      8.19028446    -13.85237706
  H     14.68776177     15.10707318    -11.78335950
  O     13.46801480     10.53054965    -10.84264677
  H     13.71342908     12.39681722     -7.88694566
  H     15.02160597     13.64992469    -11.40700407
  O     11.95918504     10.17827181     -7.15343845
  H     13.24312204     13.40849238     -6.81565971
  H     13.73212684      8.83397814    -10.29018169
  O     16.27199909     12.59428028    -10.70911466
  H     13.03216484     12.15873266    -15.78525877
  H     14.13040495      8.10478226     -8.99085258
  O     10.79646423     11.46670219    -10.87892973
  H     11.86296026     11.50746226    -16.54723253
  H     11.70470828     11.86904179    -13.72199259
  O     13.25327904     12.79595302    -13.97974915
  H     11.35010704      9.46382935    -13.37728579
  H     10.48514945     11.24981665    -14.45290625
  O     17.25408415     10.25098411    -12.04552406
  H     11.37589122      8.16747231    -12.50127945
  H     14.93921969     10.49675796     -8.10949211
  O     15.91958673      7.88600907    -11.93323520
  H     13.45576098      9.28844259     -7.17095601
  H     14.40555254     11.07767201     -9.43760230
  O     14.31226896     14.23100830    -11.73125532
  H     14.53450478      8.44447917     -6.44784198
  H     14.59707304      9.83193881    -13.66472065
  O     13.94227508      7.95946148     -9.92512413
  H     12.55313354     10.83079293    -10.89448741
  H     15.71804779     10.66608065    -12.98749094
  O     10.93067958     11.30046261    -13.59891697
  H     13.88501996     10.65059421    -11.70434879
  H      9.24714181     11.05454672    -16.75925693
  O     14.90735523     11.30403989     -8.63616002
  H     11.25528891      9.94326028     -7.77171522
  H     10.27790428     10.00930729    -16.26445614
  O     14.81464369     10.71009139    -13.32248409
  H     12.10396410     11.12689727     -7.24551304
  H     12.79142737     13.95964791    -10.61985129
  O     10.04107646     10.95444793    -16.24204118
  H     15.95488521     12.23742024     -9.86861014
  H     12.30331442     13.57593583     -9.19840771
  O     12.00416423     13.76278400    -10.09725474
  H     16.70825842     11.85387492    -11.14707215
  H     11.86884118      8.46096442    -16.47403587
  O     10.96902810      8.40989854    -16.12931344
  H     10.67979742     11.45324013    -11.83843414
  H     11.06412174      8.26430040    -15.17699516
          69
 Energy    -250.14261359829408     
  O     10.80898968     10.43587034    -12.07335338
  H     11.62471900     10.90568149    -12.29037846
  H     15.63373206     13.80946071    -14.11704251
  O     14.04182036      7.69377545    -15.36992469
  H     10.44572902     10.13255823    -12.91447264
  H     15.30107844      8.46405286    -14.29205212
  O     17.47197763      9.43143849    -10.00228042
  H     13.71241611      7.14762038    -14.63901733
  H     16.38853542      9.53669333    -13.92935030
  O     17.31204018     10.30887103    -16.92343485
  H     13.48918305      8.48418883    -15.41799628
  H     10.89727006      9.04154188    -11.01204161
  O     12.60990752     10.04023572    -15.24581200
  H     17.13144077      8.52053104     -9.94262969
  H     10.33767344      8.25653137     -9.80183397
  O     13.32844522      6.13455709    -13.21678876
  H     17.82491895      9.64734419     -9.14306234
  H     18.19672556      6.69224983    -12.93007935
  O     15.00263818      9.89061257    -11.30669701
  H     17.65817167     10.69761318    -17.72299409
  H     16.79297952      7.31709235    -12.95981916
  O     15.59614966      4.78485879    -13.99537413
  H     16.38257963     10.59187396    -16.85882131
  H     10.64545171      7.24597190    -12.19175491
  O     17.35773895     11.12719330    -14.22821481
  H     12.86451259     10.47807471    -14.42085160
  H     11.51791972      6.53219595    -13.23720960
  O     15.92530208      6.11499061    -16.56250265
  H     11.68604234      9.77910552    -15.14246443
  H     18.51957493      9.69515775    -11.60618409
  O     18.20277629      7.73798556    -16.07283559
  H     13.51644629      6.54871601    -12.36338804
  H     19.27232220      9.05738608    -12.80748572
  O     15.30996986     12.91875925    -14.22305597
  H     14.04971110      5.51974694    -13.41533783
  H     19.17691169      7.56961819    -14.64046360
  O     15.90441606      8.76860420    -13.60362087
  H     15.29271681      9.46868793    -12.13303922
  H     20.51768348      7.11349718    -14.01648692
  O     10.94303290      8.19318348    -10.53565649
  H     15.78891592      9.93050926    -10.75069251
  H     15.42017248      6.95211631    -10.13779847
  O     17.29066182      6.55242214    -12.63216423
  H     15.77122829      5.04886890    -14.90557275
  H     16.73775914      6.64760052    -10.88169448
  O     10.65777822      6.95581652    -13.11215458
  H     16.25346718      5.25635497    -13.46430187
  H     13.97865775     10.83332692    -16.28154355
  O     18.96662266      9.89516389    -12.43768146
  H     18.02206935     10.77383383    -13.61572414
  H     14.91392888     11.97341742    -15.86554577
  O     19.66289125      7.47584285    -13.80066922
  H     17.58838333     10.88574989    -15.13337337
  H     12.73515003      7.66034947    -10.57150011
  O     16.37921522      6.94315891    -10.03197304
  H     15.61639070      5.74380161    -17.38544300
  H     14.07137660      8.35927024    -10.90284291
  O     14.79571701     11.28334394    -16.53017333
  H     15.21728720      6.69751821    -16.23697992
  H     13.92078568     12.05442791    -13.30165880
  O     13.66313137      7.49099577    -10.77688316
  H     17.48431270      7.11847007    -16.25265455
  H     13.87138971     10.93009167    -12.24380563
  O     13.33337391     11.40746653    -12.89247241
  H     17.90964553      8.59094418    -16.41448186
  H      9.20120264      9.07302892    -14.96278771
  O     10.05398191      9.16747755    -14.54791255
  H     16.07859643     12.32727071    -14.13462789
  H     10.24290671      8.32477580    -14.09573755
          69
 Energy    -250.14250600639855     
  O     15.26690120     12.75088734    -12.90569488
  H     15.69977924     12.01165935    -12.46083837
  H     18.60526893      6.39340484    -14.11374294
  O     17.20485650      7.72255579    -11.34070894
  H     14.35712825     12.75999169    -12.58135038
  H     16.46268210     11.78292259    -16.68666345
  O     17.95538863      9.10111431    -15.68698605
  H     16.96966407      7.51518058    -10.42778464
  H     17.33456706     10.50297380    -16.76914079
  O     13.56021992     11.01547630    -15.88258528
  H     16.70060202      7.10499193    -11.89261335
  H     14.86846949     10.08317738    -14.96313805
  O     13.64085334      8.10629885     -8.88014671
  H     18.42495777      8.85987926    -14.87882989
  H     16.30044988      9.42990108    -14.97008531
  O     12.28640124      8.23592485    -12.38616782
  H     17.86427577      8.29205101    -16.21000895
  H     12.19692882     11.88095724    -12.66737603
  O     16.08537233     10.22577548    -11.90331357
  H     14.09475068     11.82101999    -15.85716771
  H     11.88415220     13.09611618    -11.75954436
  O     14.82707952      7.12271087    -17.05722967
  H     13.72381879     10.59066025    -16.73472954
  H     15.08114303      5.21747122    -11.37921035
  O     12.16714082      6.18820880    -10.44916381
  H     13.03161537      7.47802693     -9.28609183
  H     15.21024020      5.59046288     -9.89114667
  O     17.48593156      6.69869625    -17.05311022
  H     13.58428072      8.90907198     -9.41712251
  H     18.51381793      8.00952198    -12.54819101
  O     13.97981126      7.26258846    -14.37223156
  H     12.75540024      8.89173569    -11.85050195
  H     19.99080509      8.25612268    -12.91877169
  O     18.10933748      5.65325768    -14.48301389
  H     12.10443929      7.49928420    -11.78928564
  H     16.61636508      5.62905788    -13.47226351
  O     16.75078979     11.07861278    -17.28083602
  H     15.84370853     10.01525640    -12.82010099
  H     15.17974659      6.24601347    -13.45147144
  O     15.48618291      9.53664208    -14.46196953
  H     16.54602447      9.44287135    -11.57948018
  H     16.41204388      6.87451718     -7.96622960
  O     12.57397517     12.48428959    -12.00062978
  H     14.62781408      7.98898795    -17.43231125
  H     15.25040734      7.44378653     -8.81337736
  O     14.65675044      5.10853402    -10.51590819
  H     14.38853106      7.07486335    -16.19736011
  H     14.40258399      9.89756090    -19.10716394
  O     19.12760868      8.10152281    -13.29537193
  H     13.02627437      5.73214754    -10.50574469
  H     15.37969599     10.21044703    -17.94624818
  O     15.86842185      5.85140020    -12.90030510
  H     11.52576658      5.53247806    -10.18949233
  H     13.17237066     10.99295569    -11.01419692
  O     16.11824598      7.00345682     -8.86390423
  H     16.51543106      6.78198289    -17.08018290
  H     14.48569534     10.17910167    -11.09617713
  O     14.55069420      9.75287810    -18.17623228
  H     17.75513797      6.32127786    -17.88593370
  H     15.47748914     12.95691202    -14.61615521
  O     13.57694028     10.15513598    -10.76235376
  H     14.56116890      8.03887442    -14.40105622
  H     15.53945443     13.96876677    -15.78147395
  O     15.49409464     13.03628379    -15.58687818
  H     13.28567110      7.49184394    -13.74109414
  H     11.75495606      9.76621806    -13.45838173
  O     11.69911415     10.66796028    -13.79697048
  H     17.91913566      5.89635308    -15.39797575
  H     12.26378733     10.71801944    -14.58013743
          69
 Energy    -250.14213012709243     
  O     11.91073834      9.54241858    -15.24138431
  H     11.82612186      8.59563993    -15.41015528
  H     13.44022331      8.06333500    -10.15597175
  O     15.67049619      9.96924663    -11.05754457
  H     12.82708476      9.77933769    -15.42963074
  H     12.26769306      4.18528055    -11.65543406
  O     15.15891145      4.70202493    -12.76560716
  H     16.35068073      9.42098393    -11.46362584
  H     12.52935523      3.19956633    -12.82175239
  O     13.50863253      2.54888293     -9.45300963
  H     15.20559185      9.39381073    -10.43583501
  H     14.14478602      6.18278784    -13.11479958
  O     15.95945239      8.03162950    -14.70525367
  H     14.42547359      4.16653791    -12.43537855
  H     14.47071678      7.52092250    -13.79728836
  O     14.08283341     11.24016845    -12.91028240
  H     15.56244603      5.14973010    -12.00940098
  H     11.45981283     10.10337761    -13.64120701
  O     11.82279594      3.21554661    -14.46471766
  H     13.46599907      1.60013477     -9.36457741
  H     10.60023646     11.01024046    -12.72778508
  O     11.77740252      4.69127850     -8.65212326
  H     13.29975613      2.75273418    -10.38063071
  H     15.57935472      4.95442822    -14.56369442
  O     14.66892260     10.41214955    -15.38553767
  H     16.54030241      8.14004209    -13.94059444
  H     15.81523834      6.24099858    -15.37168772
  O     15.51261197      4.45994586     -8.65305403
  H     15.64065040      8.90033404    -14.98401387
  H     16.11045873      5.54003709     -9.96674486
  O     13.61470137      6.30504754     -7.48179517
  H     13.16708762     11.04451731    -12.68697354
  H     15.47243841      6.87829602    -10.37506665
  O     14.24698175      8.00434264     -9.62488384
  H     14.63555082     10.85709447    -12.21225572
  H     18.38291172      8.02266705    -12.14147164
  O     12.83025390      3.44947122    -11.93591521
  H     12.32314010      3.59549329    -15.19726742
  H     17.07032100      7.33368419    -11.71370859
  O     13.77222605      7.04852117    -13.32615024
  H     11.07165485      3.80504544    -14.32458284
  H     14.10334987      4.84979091    -16.21285271
  O     11.32191162     10.38732261    -12.71949503
  H     12.27005549      3.88108741     -8.83444789
  H     13.34970724      4.29032223    -17.44144701
  O     15.60076952      5.30418873    -15.46586736
  H     11.38280115      4.96415216     -9.49030681
  H     12.75416606      7.74799513    -12.09341688
  O     16.13227607      6.22528021    -10.65043522
  H     14.49946122     10.77036550    -14.49337688
  H     11.75916906      8.88395681    -11.74323645
  O     17.43915382      8.02862558    -12.28426056
  H     14.92147611     11.14902977    -15.93518010
  H     12.50839476      6.84225591    -14.56654046
  O     13.22024478      4.62661953    -16.55892471
  H     14.96822388      5.06511855     -8.13366865
  H     12.25222451      6.05945327    -15.87095186
  O     12.13594759      8.06022091    -11.41182580
  H     14.92553663      3.73625919     -8.90346482
  H     10.53218891      5.89763834    -14.39208389
  O     11.86026200      6.71217013    -15.27664454
  H     12.89471982      5.76718850     -7.85745435
  H      9.05270163      5.48266092    -14.22028510
  O      9.93041282      5.33377116    -13.87732650
  H     13.40019911      6.45150093     -6.56446203
  H     11.37188174      6.42984800    -11.24959685
  O     11.05935971      5.51376513    -11.27430142
  H     14.02764367      7.52003179     -8.81940482
  H     10.54089553      5.42563255    -12.08334340
          69
 Energy    -250.14022795897154     
  O     15.92665356      9.60954489    -15.15611528
  H     15.47612583      9.06132114    -15.79382182
  H     18.20992854     11.26854502    -15.12469974
  O     15.86243638     14.28492750    -15.71773011
  H     16.71623316      9.96460261    -15.59758339
  H     19.18254891     11.90242354     -9.69068421
  O     20.88333694      9.90021439    -15.51153373
  H     15.26958128     14.74182185    -16.30946349
  H     19.73824164     10.50461787    -10.01513467
  O     19.72626678     13.64493804    -10.13764587
  H     16.62493285     13.99734117    -16.25054687
  H     20.32691601     17.02187593    -13.16395048
  O     15.25486496     12.48893761    -11.41472076
  H     21.05964069     10.72049883    -15.01791464
  H     18.83418001     16.68948059    -12.99220936
  O     21.33556410      9.78518439    -10.79996810
  H     21.66119263      9.71972239    -16.03311084
  H     21.14963161     12.89592895    -10.96695638
  O     16.46178737     10.09093822    -10.32319077
  H     20.03268275     14.54502630     -9.97916856
  H     21.87607025     11.54879222    -11.16622886
  O     20.10860894     14.49700550    -15.25406253
  H     18.94016208     13.72570196    -10.70223484
  H     16.77141271      9.21236024    -13.48400767
  O     20.65130352     16.30695741    -10.18515633
  H     15.01457168     12.31857733    -12.33876416
  H     16.96490747      9.38713309    -11.93549073
  O     20.98596379     12.16780257    -13.98389830
  H     15.54505743     11.65048095    -11.03885228
  H     18.87528427     13.86843581    -16.54365580
  O     14.84113194     12.10135678    -14.12592657
  H     21.82848379      9.10542395    -10.34766415
  H     18.18763317     12.51557122    -16.83160785
  O     18.25121692     10.82516595    -15.98881864
  H     20.94839013      9.36949005    -11.59051078
  H     22.20513723     15.94180956    -13.39984727
  O     18.95049042     10.96489435     -9.70351773
  H     16.06956733      9.69439483     -9.54969635
  H     22.54938370     16.96695159    -14.50690849
  O     19.58315130     17.11348131    -12.55517093
  H     17.33912580     10.41993064    -10.05389793
  H     18.56684491     15.10478175    -14.41645373
  O     21.91299626     12.48404245    -11.40149901
  H     20.72589653     15.20340254    -15.02544217
  H     17.02566072     15.18427709    -14.52840923
  O     17.41582688      9.18271362    -12.76643752
  H     20.46743178     13.69194329    -14.85627470
  H     22.09351047     15.58574863    -11.21954507
  O     18.11903698     13.46555819    -16.99126634
  H     20.64899692     17.02617347     -9.55950012
  H     22.59026829     14.22330304    -11.73765387
  O     21.84913383     16.41106841    -14.17609588
  H     20.19493183     16.62841662    -10.98359134
  H     20.39703566      8.96377645    -13.87283045
  O     17.77452853     15.45742646    -13.98517266
  H     20.06387518     11.99620261    -13.72961672
  H     19.19903076      8.72184432    -12.92114072
  O     22.64890705     15.17404492    -11.89437142
  H     21.45841438     12.31309848    -13.15490500
  H     18.03552490     12.43892874    -12.83478633
  O     20.16357372      8.67987357    -12.98249421
  H     15.17607161     12.81725036    -14.67949748
  H     18.08358729     10.89107842    -13.04801783
  O     18.37467771     11.73885614    -13.40543817
  H     15.14365170     11.27781668    -14.52281641
  H     16.68428325     13.48010368    -11.58723104
  O     17.57348195     13.82303653    -11.76611738
  H     19.11313086     10.39254269    -16.01518548
  H     17.53531126     14.47401148    -12.47786047
          69
 Energy    -250.14008582337621     
  O      0.32894034     -0.19764136      3.27680246
  H      0.36886949      0.71563284      3.58823199
  H     -2.32978336      3.43688278      0.67565854
  O     -2.63104358      0.50529291     -3.37738703
  H      0.87180365     -0.28584529      2.47870294
  H      0.48801733      3.21037909      2.44102875
  O     -1.26242861     -2.00617952      4.73150464
  H     -1.82495829      0.83851690     -2.96181757
  H     -0.32414905      3.94351874      1.36096018
  O     -4.41673020      0.41823860     -1.26837224
  H     -2.51017552     -0.45097732     -3.43260323
  H     -3.20175551      1.41240730     -0.39086214
  O     -2.31284300     -2.33815249     -3.00238799
  H     -2.07107164     -1.48155754      4.79483492
  H     -1.67733777      1.63241906     -0.56728108
  O     -0.23963856     -1.67557750     -1.11300093
  H     -0.60204086     -1.43424191      4.31611517
  H     -1.22262198     -0.07145493      2.38108258
  O     -2.57078420      3.05833103      3.62953216
  H     -3.94066315      0.57324520     -2.09770528
  H     -2.19152383      0.62683796      1.36224731
  O     -4.63190222     -3.00646200      3.22129472
  H     -4.30450085     -0.52363838     -1.08110765
  H     -3.28392130     -2.50707176     -0.20423467
  O     -0.39859216      1.06292151     -1.68113003
  H     -2.46391036     -3.06306296     -3.60426840
  H     -4.82588602     -2.46736675     -0.28505199
  O     -5.12253478      1.75356226      3.50765299
  H     -2.98696218     -2.41161636     -2.30657167
  H      1.75595486      0.42711068      0.42352911
  O     -3.66015808     -0.56817284      4.17847094
  H     -0.74456448     -1.95570310     -1.88559932
  H      1.12457401     -0.95168709      0.15493351
  O     -2.18066131      4.29483560      1.11276911
  H     -0.71476420     -2.05678122     -0.35937206
  H     -0.92755865      2.62637301      4.01264550
  O      0.54265985      3.56140545      1.54375495
  H     -2.52895079      3.59095684      2.82482818
  H      0.27984676      2.82605321      4.95858485
  O     -2.43118308      1.84365465      0.00209676
  H     -3.42240470      2.60694103      3.61074773
  H      2.62184349      2.61335582     -0.62533500
  O     -2.09357099     -0.12150716      1.96117415
  H     -3.82877858     -3.53876197      3.22837334
  H      1.39505254      2.69249400      0.31560198
  O     -4.02455065     -2.35521993     -0.81139290
  H     -4.39344334     -2.17050463      3.64676807
  H     -1.63377789     -4.95813002      3.57948336
  O      1.56573928     -0.42677616      0.83183456
  H     -0.31426924      0.12194313     -1.46798563
  H     -1.67356819     -3.43068878      3.82412391
  O      0.02724381      2.45994308      4.11494492
  H      0.40650102      1.49346765     -1.36826338
  H     -1.99902429     -1.73109034      1.28981115
  O      1.82461002      2.15520241     -0.37418214
  H     -5.91663990      2.17436356      3.82696405
  H     -1.85968093     -3.24293625      1.62480768
  O     -1.99139797     -4.14307432      3.23927351
  H     -5.35944993      1.31832477      2.66957478
  H     -5.60263363     -2.67268909      1.84372163
  O     -1.88484004     -2.61160241      0.89713382
  H     -4.25045502      0.19097046      4.21912024
  H     -6.95800121     -2.85184861      1.11764164
  O     -6.11559833     -2.40957828      1.05754539
  H     -3.13419093     -0.42115296      3.37522381
  H     -5.98416265     -0.49719486      1.23049890
  O     -5.79933638      0.44934496      1.20469256
  H     -2.61777796      4.95545291      0.58251007
  H     -5.44930613      0.61256295      0.32038347
          69
 Ord_Energy   -250.139771    
 O  -0.926354766      -1.39264798       3.32122302    
 H   -1.63492119      -1.37432611       2.66080284    
 H  -0.407968581      -2.18800259       3.15078330    
 O    2.40411305      -1.46394050       1.42784643    
 H    2.12112117     -0.703861237       1.95001805    
 H    1.95255041      -2.22194672       1.81688106    
 O   -1.81033742       2.86203456      0.314297259    
 H   -1.85716832       3.29774952       1.17768741    
 H  -0.984067738       2.35756183      0.303831846    
 O    1.00547385      0.589417636       2.86392617    
 H   0.331165254      -8.73253420E-02   3.02601433    
 H   0.823281586       1.30456483       3.48480582    
 O    1.09914899      -3.27777529      -2.58492994    
 H    1.67235672      -2.60851073      -2.16432118    
 H    1.66498291      -3.83161402      -3.11539888    
 O   -4.33964252      0.465475798      -1.65781915    
 H   -4.16110849     -0.410341501      -2.01947570    
 H   -3.68729329       1.06433856      -2.04085517    
 O   -1.99094141       3.66181397       2.92617106    
 H   -2.75501823       3.17237115       3.25460768    
 H   -1.25195920       3.39277983       3.48543286    
 O   -2.36257696       2.47575831      -2.35169578    
 H   -2.70687032       3.26714921      -2.76043940    
 H   -2.18480277       2.70177698      -1.42347944    
 O  -0.253072619      0.942701519      -3.51477695    
 H  -0.933144510       1.51991022      -3.14487672    
 H   0.572366536       1.15294242      -3.06147480    
 O   -1.07388270      -1.61774278      -3.30088711    
 H  -0.318681717      -2.20872855      -3.19289780    
 H  -0.746345699     -0.731712699      -3.52552581    
 O  -0.749470234     -0.992757380     -0.553203821    
 H  -0.935438573      -1.05896449      -1.49694121    
 H  -0.390102476      -1.85160732     -0.296749473    
 O   -3.68072486      -2.11686802      -2.73542786    
 H   -4.15421486      -2.46926880      -3.48519683    
 H   -2.76408076      -1.96919012      -3.02690649    
 O   0.682128668      -3.54647541       2.42564344    
 H   0.901211202      -4.39829922       2.79442692    
 H   0.358628958      -3.70651317       1.52180851    
 O   -1.93993425      0.631617069       5.01419258    
 H   -1.65484524     -0.166153476       4.54885674    
 H   -2.74452233      0.938037872       4.57734251    
 O    2.56220484      -1.40403998      -1.34885550    
 H    2.57515025      -1.42258894     -0.380123347    
 H    2.48969221     -0.478903890      -1.60573208    
 O  -0.225536466      -3.74593806     -0.129640952    
 H   -1.18562186      -3.80430174     -0.261747986    
 H   0.208381042      -3.76924181     -0.990707576    
 O   -4.12978125       1.83297217       3.60933971    
 H   -4.20916128       1.59073782       2.67155147    
 H   -5.01440954       2.01018143       3.91981030    
 O    2.06995749       1.38846254      -1.91574574    
 H    1.56128025       1.46375275      -1.08972943    
 H    2.73129892       2.07554841      -1.89637184    
 O   -4.02167320       1.23513401      0.939089179    
 H   -4.32576704      0.936141431       6.91132620E-02
 H   -3.25139046       1.79463708      0.765315652    
 O   -1.46923997E-02   2.50356197       4.66766644    
 H  -0.696604133       1.84272993       4.89079475    
 H   0.305462539       2.85848784       5.49259472    
 O   -2.95486236      -3.54649186     -0.352504224    
 H   -3.09844637      -2.87922287      0.331905037    
 H   -3.28685904      -3.14997983      -1.16731584    
 O   0.456818759       1.30320466      0.275050104    
 H    5.35552800E-02  0.477426380      -3.73639911E-02
 H   0.713395476       1.15307677       1.19459629    
 O   -2.78582430      -1.24332452       1.29264915    
 H   -2.12135696      -1.11742938      0.597536504    
 H   -3.32778454     -0.446169823       1.27142823    
          69
 Energy    -250.13902451387122     
  O     -7.24486675      1.13242102     -0.12873176
  H     -7.02021025      1.87364947      0.44312063
  H     -5.93910352     -4.43008717      0.92973313
  O     -4.02981940      1.94469002     -3.46094119
  H     -7.11808273      0.34918013      0.42621029
  H     -2.69045311     -2.39761422      1.78122354
  O     -6.23307861     -0.92690730      1.48861313
  H     -4.23931375      2.48119856     -4.22183344
  H     -4.08451557     -2.92846678      2.12559695
  O     -1.90809555     -1.80931613      0.22275489
  H     -3.56928334      2.52541671     -2.83268066
  H     -1.28787390      1.23800254      1.89161424
  O     -0.50538500      1.59124038     -1.81725579
  H     -6.21063747     -1.88639855      1.40469182
  H     -2.24432479      1.09746980      3.10955657
  O     -5.63065284      0.04146291     -2.09070596
  H     -5.39689299     -0.61900038      1.10573543
  H     -3.14685629      2.47122263      1.51175809
  O     -2.34242337     -2.70358150     -2.41913666
  H     -2.63335727     -1.16114022      0.19897977
  H     -4.63307015      2.89846955      1.22922312
  O     -2.06393013     -0.17126841     -3.32182844
  H     -1.92873040     -2.25496405     -0.63129543
  H      1.18462036      1.50079137      1.05275233
  O     -2.64412550      3.39790080     -1.56328230
  H      0.29615495      2.12765501     -1.85137960
  H      1.18160927      2.94313908      1.58461634
  O     -0.29489297      0.37311033      0.67283034
  H     -1.24860531      2.20379788     -1.72194361
  H     -0.28619676      4.58295025      3.00901444
  O      1.71764757      3.27864815     -1.44009331
  H     -5.19559431      0.71135609     -2.63112931
  H     -0.85238947      3.26080638      2.44801182
  O     -5.53138578     -3.56946873      0.96827697
  H     -6.28175001      0.49114470     -1.52916296
  H     -2.85612319     -0.53374806      4.90349931
  O     -3.31039602     -2.50779849      2.51606805
  H     -1.91937304     -3.29840731     -3.03218101
  H     -3.21554899     -1.05919983      3.49905034
  O     -1.81845582      1.74059234      2.52972506
  H     -2.24656753     -1.80663797     -2.78815398
  H     -4.16303722     -2.77372948     -1.90565955
  O     -3.77972766      2.70630606      0.81942704
  H     -2.77688984      0.44964213     -3.50581504
  H     -5.38668955     -1.83574173     -1.86127964
  O      1.71945801      2.30532623      1.09870020
  H     -1.39396670      0.34555879     -2.85362319
  H     -4.45192945     -0.03368039     -0.70116415
  O     -0.27908945      4.01673917      2.24084268
  H     -3.11941937      3.18911671     -0.74492425
  H     -3.88992769      0.94709931      0.36050512
  O     -3.12126935     -0.24960591      4.03197311
  H     -1.96893096      4.04764269     -1.31851493
  H     -6.12583185      2.24674779      2.60976355
  O     -5.06654470     -2.70055229     -1.57402518
  H     -0.70380673     -0.49860078      0.59162415
  H     -6.82876376      3.61129569      2.40731758
  O     -3.95095906      0.01375583      0.12497126
  H     -0.37516001      0.78332000     -0.20064845
  H     -4.85521233      0.54816994      3.82673608
  O     -6.28587966      2.96275802      1.96784587
  H      1.84236987      2.93185334     -0.53826270
  H     -6.04528505      0.14785729      2.94721482
  O     -5.73031338      0.83968668      3.54825587
  H      2.58603002      3.43804736     -1.79865742
  H      0.27771061      4.46681735     -0.91350593
  O     -0.53474691      4.83471382     -0.54461650
  H     -5.36351053     -3.29973378      0.04694267
  H     -0.49659311      4.64851500      0.40146140
          69
 Energy    -250.13866579828556     
  O     -4.15602899      0.69026530     -0.00509227
  H     -4.36371335      0.45988508      0.91734836
  H      1.49805215     -1.50670434      4.08981036
  O     -2.98770194     -1.60510068      5.72525756
  H     -4.69484763      1.44480078     -0.22773850
  H     -1.45160928     -2.59856895      1.70988119
  O     -1.99515790     -0.00314649      3.66296950
  H     -2.69297958     -0.99265016      5.03620319
  H     -1.10593944     -1.21235298      1.05647102
  O     -4.50301538     -0.13409442      2.55526464
  H     -2.16922498     -1.95039079      6.10353764
  H     -3.17340139     -3.83326006      1.79555283
  O     -0.43062406     -2.68572809      6.24646028
  H     -1.28553193      0.63973128      3.76758688
  H     -2.00944133     -4.37375055      2.69405782
  O     -3.78020077     -4.24573421      5.12652461
  H     -1.63659505     -0.69299109      3.08198686
  H      2.12647719     -2.03821534      1.74210627
  O     -6.14542200     -3.86425241      3.90169649
  H     -3.61966494      0.02580785      2.91857214
  H      0.68887808     -2.18467210      2.27430731
  O     -1.40037537      0.06928848     -0.27738735
  H     -5.06835340     -0.36228625      3.30715091
  H     -4.59637799     -1.94134682      1.99917886
  O      1.36210891     -5.08003191      2.98791326
  H      0.15848136     -2.05773111      5.79157375
  H     -5.31244537     -3.26339308      2.35275620
  O      0.74093211     -2.83653101     -1.07666440
  H     -0.01293647     -2.90192026      7.07616851
  H      3.33659399     -1.21526739     -0.41701808
  O      0.01660319     -5.05244647      0.41699541
  H     -3.56628551     -3.32874561      5.35045000
  H      1.90610846     -1.80380969     -0.36007611
  O      1.21035319     -1.02475095      4.87714827
  H     -2.93745940     -4.64760835      4.88915134
  H      0.62925963      1.28674249      2.72133853
  O     -0.99217341     -1.75938418      1.84350828
  H     -6.79775491     -4.52129622      4.12689832
  H      0.69985895      2.33178733      3.85816824
  O     -2.27698093     -4.19320499      1.78226134
  H     -5.32075039     -4.11476111      4.35839062
  H      0.12558898      0.78425048      0.52217425
  O      1.61425313     -2.39866053      2.47557644
  H     -1.40768210     -0.52372072     -1.04025491
  H      1.56183888      0.27968081      0.73091679
  O     -4.71406544     -2.85689528      1.71325932
  H     -2.30398087      0.39328119     -0.17457306
  H     -2.58045849     -2.09536064     -1.77943022
  O      2.54758182     -1.24302721      0.11642088
  H      1.53821877     -4.13734456      2.82367911
  H     -1.88008288     -2.00451040     -3.15239644
  O      0.41227479      1.44530279      3.65781081
  H      2.19828841     -5.48391343      3.20521288
  H     -5.99934088     -2.03884466      4.58007503
  O      0.92980243      0.94190856      1.03500627
  H     -0.07151736     -2.58856381     -1.52994068
  H     -4.88227345     -1.26686435      5.31179413
  O     -1.72280790     -1.94136312     -2.21383379
  H      0.53966849     -3.65242484     -0.59436698
  H     -0.86656122     -3.99191619      4.95945262
  O     -5.69522334     -1.15049685      4.80313669
  H     -0.87357701     -4.86606906      0.74638338
  H     -0.27212004     -4.95493784      3.90949464
  O     -1.10256666     -4.66697392      4.30913447
  H      0.54054723     -5.22985143      1.20558130
  H     -4.38660503     -2.48798045     -0.12806394
  O     -4.11725705     -2.02572031     -0.93127001
  H      0.98063301     -0.14073810      4.56813514
  H     -4.25055536     -1.08865433     -0.74050118
          69
 Energy    -250.13864347838205     
  O     10.97874872      8.80033918    -14.61695606
  H     11.26277183      9.68882775    -14.85838001
  H     17.74203518      6.64970743    -14.60836821
  O     16.49185222     11.19272623    -13.00570540
  H     11.47238499      8.19782802    -15.19137476
  H     13.36205625     10.83169191    -16.62708006
  O     16.37414852     10.46772548    -15.72757827
  H     15.52818672     11.09103678    -12.99828955
  H     14.88609132     10.65901262    -16.81111857
  O     13.49156854      4.80595071    -14.81254505
  H     16.72532752     11.55662746    -12.14250385
  H     14.00122333      8.14229575    -15.15891472
  O     14.82643494     10.60908391     -9.08487065
  H     16.58035476     10.83672441    -14.85893972
  H     15.26327157      9.08232724    -15.13643384
  O     15.09248448      7.46343520    -10.97931158
  H     17.16360166     10.02294571    -16.06322250
  H     10.94817222      8.21589046    -12.98551998
  O     13.79512293     10.54551293    -13.09324289
  H     13.18687394      3.90421478    -14.76903809
  H     10.09157837      7.61439279    -11.84710940
  O     16.49692164      7.17173391    -17.61286931
  H     13.36167681      5.19154964    -13.92526479
  H     17.91114790     10.34382235     -9.88211300
  O     16.16833331      8.15255595     -8.44425433
  H     14.05941035     10.30289547     -9.58567312
  H     18.01886538      9.02641505    -10.65802303
  O     18.41752440      8.87339040    -16.77657704
  H     15.22232584      9.80988204     -8.71448684
  H     13.87487264      6.39516820    -11.92523931
  O     16.01168993      6.05037485    -15.06945999
  H     15.82216467      7.78942988    -11.52603510
  H     12.38246725      6.56189421    -12.28714005
  O     18.45677450      7.26146874    -14.38445365
  H     15.40035495      7.51745216    -10.06604068
  H     17.77863186      8.10278020    -12.97690881
  O     14.03336080     10.52606317    -17.24832040
  H     13.45748972     10.25287326    -12.23750505
  H     17.04665713      9.43468976    -12.61343206
  O     14.72436615      8.47484634    -14.61011760
  H     14.07907920      9.74376668    -13.56230858
  H     16.09870700     11.53040856     -9.87584581
  O     10.98400830      7.85423992    -12.08188706
  H     15.64246354      7.44937482    -17.96235977
  H     17.00178168     12.78489180     -9.87257653
  O     18.15962315      9.41745984     -9.78259975
  H     16.31506775      6.65742736    -16.81438810
  H     13.94785328      9.00496187    -18.06978270
  O     13.14985043      5.99385245    -12.42203831
  H     16.95710672      8.56003739     -8.84682201
  H     13.63315806      8.17827396    -19.34120942
  O     17.29168893      8.56331032    -12.27926693
  H     16.46007235      7.71100616     -7.65173342
  H     12.21117893      8.85543058    -11.10551202
  O     16.86476680     11.94817905    -10.30906409
  H     17.77179454      8.25905185    -17.17240417
  H     13.72527274      8.65663429    -10.84616334
  O     13.92578282      8.10186895    -18.43708654
  H     19.13120683      8.96703277    -17.40141577
  H     12.76858394     11.16528222    -14.39998094
  O     13.00208849      9.29974706    -10.77591411
  H     15.65094710      6.89726566    -14.76409706
  H     11.85231516     12.21071761    -15.07714624
  O     12.21367303     11.33379052    -15.18095227
  H     15.28301355      5.42456379    -14.99754409
  H     12.93824474      6.30637813    -15.80061905
  O     12.69926773      7.19565349    -16.09269783
  H     18.58780252      7.81016027    -15.16644012
  H     13.05959140      7.34706422    -16.97574424
          69
 Energy    -250.13862825216478     
  O      2.26273897     -1.65921502      4.69465217
  H      1.81660532     -1.91215788      3.87544242
  H      1.82508405      0.26245787      1.12545124
  O     -2.96634857     -3.56148400      6.47544511
  H      2.37493784     -0.69779970      4.68879369
  H     -0.88953432      3.48937416      1.88176357
  O     -1.63037455     -0.54169499      9.30307094
  H     -3.29883837     -2.72825780      6.82807843
  H     -0.82450062      1.94311096      1.90264000
  O      1.29957330     -5.41758385      6.31127594
  H     -2.16030073     -3.75695967      6.97284042
  H     -0.49458557      2.35937783      4.17160756
  O      0.76942928     -2.37085130      2.48102946
  H     -1.10233347      0.18048237      8.93540128
  H     -1.05866489      1.23440883      5.06895998
  O      0.13065917     -4.66994552      3.99634017
  H     -1.00557219     -1.18695326      9.65097012
  H     -1.55086762     -0.30256598      1.62821713
  O      3.37309120     -3.44129628      6.58361470
  H      0.90925235     -5.17743697      5.45060475
  H     -0.31595274      0.07577227      0.78424553
  O      2.84764637      1.03910059      7.63661690
  H      1.48783350     -6.35168971      6.27597999
  H      2.37141087      1.47860946      3.09229007
  O      2.40554631     -1.70112945      8.44835178
  H      1.10515059     -1.83450434      1.75196762
  H      1.31521437      2.14915968      2.19649165
  O      0.37439852     -2.52575319     10.08778139
  H     -0.15061246     -2.10189266      2.61624604
  H     -0.04604878     -2.28351986      6.88220509
  O     -1.91253232     -1.66107785      2.87689523
  H     -0.83013783     -4.60060817      3.94119315
  H      0.93235465     -1.58555458      5.85909380
  O      1.52462604     -0.47912760      0.56910030
  H      0.47770252     -3.99925542      3.39517789
  H     -3.35512658     -4.80898907      3.61307320
  O     -0.51726114      2.74973627      2.35436209
  H      2.76761740     -4.18762117      6.50236087
  H     -2.83339556     -3.96585891      4.80198774
  O     -0.42451911      1.96527053      5.05021417
  H      3.15920941     -2.85514491      5.84375502
  H     -0.20580480      1.69140816      6.97453208
  O     -1.15555589      0.41591797      1.11765598
  H      3.00488101      0.17757110      8.03841218
  H      0.09245851      0.23653955      7.33833593
  O      2.12408235      1.62333634      2.16938055
  H      1.93093595      1.25398438      7.85525076
  H     -2.94753043     -0.83928304      8.18759862
  O      0.25055644     -1.43358872      6.53022430
  H      1.70615159     -1.43979856      7.83605110
  H     -4.44654343     -0.65848745      7.85593674
  O     -2.68159031     -4.18264184      3.86408414
  H      2.91771682     -2.35701052      7.95040264
  H      0.15546058     -4.44720216      7.36793490
  O     -0.00025471      1.12072139      7.72540544
  H      1.19135324     -2.23178053      9.64968064
  H     -0.21656557     -3.56873367      8.61924729
  O     -3.62099011     -0.97277385      7.49707239
  H      0.60469568     -2.73094554     10.99041692
  H      1.36043098      1.39758949      4.97512282
  O     -0.49324756     -3.82917201      7.73231941
  H     -2.26961696     -2.53449969      3.08001541
  H      2.64004861      1.15270583      5.81740979
  O      2.27810364      1.09654997      4.92175939
  H     -2.00994639     -1.13924686      3.68651501
  H     -2.67744458     -0.44237771      5.96318883
  O     -1.98526002     -0.33809531      5.29922522
  H      2.05894025     -0.46613659     -0.22006217
  H     -1.20883475     -0.78934766      5.66278931
          69
 Ord_Energy   -250.138260    
 O    4.63788939      0.843840897      -1.31393564    
 H    4.87006426      0.802446067      -2.25243425    
 H    3.67986584      0.976702273      -1.29569948    
 O    2.01404285      -4.93626165      -3.19961929    
 H    2.18385005      -4.60835552      -4.08883095    
 H    2.84710693      -5.27167368      -2.82784915    
 O    3.32738686      -5.02117300      0.655319571    
 H    3.59425545      -4.25399256       1.17527676    
 H    2.36937761      -5.07781553      0.750701666    
 O    1.84813774       1.29904342      -1.41002715    
 H    1.35530484      0.480398387      -1.23989964    
 H    1.75705969       1.84210324     -0.617774725    
 O    1.91108084      0.977153420      -4.15142393    
 H    1.86276674       1.16728735      -3.19978833    
 H    1.58783305       1.75654149      -4.59885502    
 O   0.574602246      -1.05483985     -0.991968989    
 H   0.655940890      -1.48946726     -0.130890414    
 H  -0.156379521      -1.44736016      -1.48440945    
 O    1.73035288       2.50714803       1.10953844    
 H    1.53206170       1.72669280       1.65880990    
 H    1.27346694       3.24463367       1.50462866    
 O   0.613659382      -1.53908384      -4.68017817    
 H    1.24648607      -2.16969323      -5.04258633    
 H    1.08858573     -0.710147917      -4.54372835    
 O    4.75554276      0.483736306      -4.05033445    
 H    4.83670616     -0.467279106      -4.19742441    
 H    3.82674146      0.687264502      -4.21606827    
 O    4.59989548      -2.34733891      -4.11953783    
 H    5.33507013      -2.79413605      -3.68293333    
 H    3.91198444      -2.25642681      -3.43960857    
 O    2.57819009      -3.45100355      -5.59737301    
 H    3.38655090      -3.07594347      -5.20876932    
 H    2.79498935      -3.70832849      -6.48996305    
 O    6.39352942      -3.52155662      -2.27124929    
 H    7.32052755      -3.60815477      -2.06455564    
 H    6.01478481      -2.91599727      -1.61130917    
 O  -0.259925902      -4.68965769      -1.66682649    
 H  -0.680091321      -3.91587782      -2.05785537    
 H   0.487181932      -4.90680885      -2.24380183    
 O    2.72956967      -2.44782090      -2.08963299    
 H    2.42895532      -3.33262110      -2.33268452    
 H    1.96426189      -1.95404303      -1.77574563    
 O    4.17197323      -9.39123333E-02   3.31108260    
 H    4.68189955      0.144935757       4.08030558    
 H    4.37950850      0.561534047       2.62080956    
 O    3.85287333      -2.44795728       1.80246162    
 H    4.33061218      -2.22361612      0.990383804    
 H    4.02841139      -1.73178434       2.42459512    
 O   0.445586950      -4.91081810      0.922451437    
 H   0.155664310      -4.86216497      -6.52397983E-03
 H   -5.26495092E-02  -5.61395788       1.32984602    
 O   -1.19957066      -2.23901916      -2.79280829    
 H   -2.07873273      -2.05622029      -3.11269879    
 H  -0.584401071      -2.01316524      -3.51427293    
 O    4.30836582      -5.52846241      -1.89432144    
 H    5.08263636      -4.97180605      -2.02056241    
 H    4.02803755      -5.41012239     -0.972893298    
 O    4.95448875      -1.82697308     -0.648604572    
 H    4.97638035     -0.874975860     -0.814788997    
 H    4.14283466      -2.14731789      -1.07540452    
 O    4.49947548       1.75228918       1.34447622    
 H    3.62916756       2.16402268       1.27559710    
 H    4.74156809       1.50223875      0.443160117    
 O    1.08985078      -2.24646187       1.43302643    
 H   0.761917710      -3.15206003       1.36316133    
 H    2.05003142      -2.31494403       1.54224980    
 O    1.41062856      0.293463141       2.64444900    
 H    2.28810406      0.144348368       3.01927209    
 H    1.12409449     -0.561895669       2.30040550    
          69
 Energy    -250.13735952839414     
  O     13.73944238     11.50081687    -10.55368693
  H     14.21882676     11.50509039    -11.39465159
  H     18.57108141      6.12910166    -13.76137156
  O     14.73175622      7.16226674    -14.82293184
  H     14.37548629     11.19571888     -9.89743939
  H     16.78948848     11.37773104    -11.75844073
  O     16.77514736      5.73117854    -10.58777209
  H     15.16864801      7.56027924    -14.05173449
  H     18.00452745     10.45915051    -11.55039775
  O     18.59312662      9.02859907    -12.61148706
  H     15.15650560      6.31657718    -15.00428956
  H     16.78931524      8.63467798    -12.66349636
  O     13.79973774     11.30343852    -15.26777079
  H     16.22878856      6.47501898    -10.29922921
  H     15.56405351      8.23943716    -11.79723955
  O     12.39550289      4.98665846    -10.68534210
  H     16.16995686      4.98619837    -10.67934906
  H     12.19382170     10.82642584    -10.85278444
  O     12.22883401      7.19545796    -13.71476003
  H     18.63205948      9.06583565    -13.57710163
  H     10.65569441     10.83992304    -10.67068611
  O     15.10646789      7.90095017    -10.07956187
  H     18.86052907      8.14015086    -12.34036297
  H     14.86804141      3.91169814    -14.12611606
  O     18.36080558      8.90287468    -15.40830673
  H     13.08258067     10.82352065    -14.81457747
  H     14.51196612      3.55977065    -12.65915081
  O     11.62701611      4.46854950    -13.39960479
  H     13.38370518     11.98370832    -15.79012967
  H     11.63502837     10.18906798    -12.99261671
  O     15.78193923      9.40253616    -16.10193712
  H     12.36355965      5.94936102    -10.61582358
  H     11.88420273      9.00597019    -13.94284570
  O     18.28862739      6.12079833    -14.68465113
  H     11.98814621      4.77241980    -11.53419283
  H     19.73736596      5.90599330    -11.51228840
  O     17.45891811     11.12309286    -11.10863552
  H     13.08531149      7.16237855    -14.16713240
  H     18.20335184      6.09922337    -11.45766441
  O     15.83753313      8.47527455    -12.69313580
  H     11.89690377      6.29055124    -13.68280811
  H     16.20259137      4.34151321    -16.16990796
  O     11.36776305     10.36669303    -11.09145080
  H     14.16124475      7.89197747    -10.28754447
  H     16.90999595      5.16577993    -15.07137954
  O     14.16922289      3.56011999    -13.56184909
  H     15.31649218      8.72769609     -9.62754217
  H     13.95410974      4.18575650    -10.67354300
  O     11.86849386      9.97162112    -13.90240674
  H     18.92849586      9.25510670    -16.08891484
  H     14.77384300      2.96296011    -10.20572568
  O     19.00944529      6.33629582    -11.95222815
  H     17.44934472      9.13268184    -15.66222067
  H     12.02567009      8.63243363    -10.89882484
  O     16.07438984      4.72395417    -15.30534553
  H     11.02106198      3.83626095    -13.77538762
  H     12.46271692      7.58129245    -11.93804865
  O     14.79870396      3.71512871    -10.79199866
  H     12.52501008      4.11132329    -13.52878621
  H     16.51329707     10.66422231     -9.71490355
  O     12.49126796      7.79292355    -10.99325621
  H     15.15807398     10.11133650    -15.90912933
  H     16.25583612     10.66197952     -8.18905199
  O     15.88342598     10.39040570     -9.02336654
  H     15.34439981      8.59024373    -15.80978568
  H     14.82058748     11.41453736    -13.71039512
  O     15.26105593     11.21884123    -12.87598346
  H     18.33699670      7.03260732    -14.99551727
  H     15.38339953     10.25816603    -12.85957994
          69
 Energy    -250.13726818595833     
  O     12.24041151     10.61221661    -14.43787886
  H     12.27035110     10.18776348    -13.57034938
  H     15.88373632      5.88940862    -15.19266870
  O     16.19978612      6.57860693    -13.47047979
  H     12.80838336     11.39063963    -14.38096678
  H     19.69376352      8.03800523    -14.39445113
  O     17.22225164      9.91949752    -10.88391860
  H     16.87340965      6.65716539    -12.78528635
  H     19.78297698      8.99977092    -13.19827994
  O     18.04163209     10.61272520    -15.24903530
  H     16.12485853      7.45967076    -13.87132482
  H     16.69756322     11.61312985    -16.03168952
  O     12.76510594      6.31230983    -15.25260927
  H     16.47977450     10.27716620    -11.39466928
  H     15.58987003     11.29777249    -17.05283807
  O     13.43215514      8.51367560     -9.32834366
  H     16.87611044      9.71400699    -10.00666041
  H     16.54348900      9.55219136    -14.89914654
  O     13.59205738      6.58308405    -12.63735591
  H     18.57656864      9.92613992    -15.67053118
  H     15.07963464      9.02147393    -15.12642697
  O     15.18318874     10.78034487    -12.49042844
  H     18.41890256     10.76685283    -14.37386551
  H     17.05028796      6.51361797    -10.14810922
  O     17.01853294      7.73883997    -17.44208870
  H     11.96908252      5.79480901    -15.34400364
  H     16.33085104      7.25965747     -9.01300800
  O     13.80161066      5.74070623     -9.96910505
  H     12.96097693      6.35748757    -14.30176418
  H     19.75187866     11.40872384    -12.25341299
  O     19.34711436      8.36858576    -16.26624271
  H     13.11059397      8.88127340    -10.16158742
  H     18.52846162     10.51307406    -11.96438228
  O     15.51951730      5.82496118    -16.08664764
  H     13.42001114      7.55585529     -9.44703560
  H     18.78180949      7.38417386    -12.16464385
  O     19.86015495      8.07000233    -13.44475684
  H     14.52667851      6.54356001    -12.89492523
  H     17.74935038      8.15333749    -11.31129898
  O     15.84516105     11.92491330    -16.36613669
  H     13.54246513      6.21046778    -11.74874526
  H     15.02825968      8.96288482     -8.78271266
  O     15.81092818      9.06834701    -14.49771986
  H     15.40747736     10.13533115    -13.18156927
  H     15.94617280      9.40742904     -7.61949778
  O     16.38158018      6.40536086     -9.45880246
  H     14.89138807     11.57111771    -12.95936678
  H     14.64423053      9.82745744    -18.96746882
  O     19.16803843     10.76650229    -12.65000713
  H     16.48222269      7.03712100    -17.04443570
  H     14.42924198      9.44486914    -17.48434814
  O     18.05968099      7.26434723    -11.53044852
  H     16.41053019      8.41609252    -17.75554963
  H     13.68777187      9.80018817    -12.08395056
  O     15.95723941      9.09711007     -8.52095895
  H     13.56560142      4.95219407     -9.48814830
  H     13.11369314      8.36644710    -12.27860476
  O     15.08244977      9.78501625    -18.12103883
  H     14.74978196      5.89594747     -9.80483232
  H     14.08354989     13.62922024    -14.36939720
  O     12.88507251      9.26467423    -12.00183886
  H     20.05568578      8.20703922    -16.88340649
  H     14.79125783     12.44946697    -15.07495838
  O     14.23116340     12.68898064    -14.31481481
  H     18.52635257      8.07695061    -16.70417863
  H     12.97940461      9.50635220    -15.58573795
  O     13.50407166      8.88180580    -16.11068270
  H     14.56492462      5.85001227    -15.96503990
  H     13.19602286      7.99189553    -15.90296089
          69
 Energy    -250.13719803441739     
  O     15.69322125      8.59704484     -9.39516335
  H     16.08955198      8.25172996    -10.20735561
  H     11.67749303      9.50143868     -9.78265231
  O     18.16577124     10.14484605    -11.84527407
  H     16.03375402      9.49783663     -9.29082379
  H     12.55312291      4.99830215    -12.30006479
  O     12.06834352     12.72555978    -12.74027760
  H     19.10931206     10.07529919    -11.96897836
  H     13.29669878      6.32236176    -12.57004081
  O     10.41326538     10.67122921    -12.15286323
  H     17.82515755      9.23560263    -11.80251947
  H     12.36797867      6.49886065     -9.32244819
  O     14.42357955     11.99209332    -11.41379326
  H     11.55315009     13.52577331    -12.79703068
  H     11.15479429      7.40605383     -9.65926872
  O     15.97698859     10.98051583    -13.50260163
  H     11.44917062     12.00811012    -12.51445426
  H     13.03413445     12.03444755    -14.22396266
  O     16.57817421     11.17708102     -9.68197122
  H     10.44555288     10.00797477    -12.85784263
  H     14.45277077     11.52445867    -14.55952852
  O     16.88020127      7.68284602    -11.78545989
  H     10.36590001     10.18441356    -11.32369874
  H     15.13509166      5.58816513    -10.11080622
  O     12.88136327      5.14763822    -15.35767305
  H     14.95724385     11.66223233    -12.15194779
  H     14.90226700      5.24982366    -11.58636019
  O     13.06870578      8.10376014    -12.53303064
  H     13.63658335     12.39507928    -11.80199862
  H     10.98997356      5.42958535    -10.95993732
  O     10.37626250      6.07006468    -14.26569150
  H     15.74640745     10.07444761    -13.76280733
  H     10.29939686      4.09777711    -11.33322932
  O     10.74262408      9.26756835     -9.63995159
  H     16.82471182     10.90111583    -13.05146862
  H     13.51804642      8.21273673    -16.39852339
  O     13.37647728      5.35891826    -12.65433341
  H     15.86410337     11.63961715    -10.13864248
  H     13.70413008      6.71041644    -16.08241301
  O     11.47618191      6.49723342     -9.69028533
  H     17.22619763     10.95814041    -10.36431804
  H     11.97973529     10.05583061    -17.14331603
  O     13.56010002     11.61114523    -14.91374344
  H     16.59817277      6.79832184    -11.50919084
  H     12.77934546     10.37993489    -15.85967859
  O     15.59989605      5.40309392    -10.93434251
  H     16.41904567      7.86418103    -12.61791851
  H     10.57449560      7.83655683    -14.20145658
  O     10.80718009      4.81809040    -11.69651667
  H     13.12011504      4.29116586    -15.70462950
  H     11.27297204      9.04130520    -14.92243494
  O     14.18267335      7.51828749    -16.30562225
  H     13.17043067      5.16256521    -14.42978898
  H     14.72691485      7.22505641     -8.77938900
  O     12.29971283      9.67424176    -16.32980064
  H     13.09624760      8.66095696    -11.74716568
  H     14.34996776      6.15272609     -7.73689779
  O     10.86801835      8.75381220    -14.09455074
  H     12.29298530      8.35522383    -13.05230710
  H     14.54614335      8.31078004    -13.46754252
  O     14.16109756      6.45043987     -8.62433270
  H     11.12541261      5.71581238    -14.76069866
  H     15.12685576      8.04569439    -14.87402126
  O     15.36103302      8.35869488    -13.99010790
  H     10.40960101      5.64875544    -13.39780493
  H     14.10415214      9.30268079     -9.89921747
  O     13.32935657      9.74047898    -10.27295105
  H     10.47099332      9.70020651     -8.83361158
  H     13.64304753     10.56915859    -10.66031115
          69
 Energy    -250.13637707290010     
  O     15.58848362      4.91884342    -16.09141698
  H     15.96991775      5.80133787    -16.18772673
  H     17.22130714     10.65650995    -17.58799764
  O     17.61278064      6.19740417     -9.51861778
  H     14.63276807      5.05365185    -16.06917225
  H     16.76987337      9.07158674    -11.23170924
  O     13.39413370     10.78396234    -10.81414786
  H     18.16433951      5.54953130     -9.08630520
  H     16.07269804      9.95493883    -12.31702874
  O     20.02856240      8.97123835    -13.35225929
  H     17.38807124      5.83295952    -10.39001157
  H     12.02656442      5.15953692    -15.99687614
  O     16.15970648      3.38361212    -13.92810741
  H     12.75161547     11.46500992    -10.63227293
  H     12.93678661      4.93711215    -14.76546091
  O     13.70256777      8.31999822    -12.14845413
  H     14.04578505     11.17089871    -11.42339488
  H     14.88344712      8.61702467     -8.73169894
  O     14.85746178      6.77488247     -8.76939886
  H     19.30626565      8.33151842    -13.46852050
  H     14.49316148      9.96587051     -9.39523498
  O     19.25890200     10.71685301    -11.19832622
  H     20.84206910      8.50315529    -13.52210770
  H     15.03923007      5.62704929    -11.55234510
  O     16.31577707      7.62172186    -15.97813672
  H     16.02455176      3.91487312    -14.73395417
  H     13.83837819      6.60874648    -11.59189791
  O     16.85103963      5.34785607    -12.04962654
  H     16.51919570      2.54628117    -14.20861820
  H     18.26513174     13.48088200    -12.36822837
  O     18.67853762     11.01827357    -14.82620236
  H     14.66282126      8.45616219    -12.10640441
  H     18.40210270     11.98064523    -12.01430779
  O     16.98153785     10.23012537    -16.76981853
  H     13.32735666      9.07527406    -11.68208687
  H     17.74670525      8.09224164     -9.52615852
  O     16.34123142      9.05358604    -12.09765942
  H     15.78814897      6.53568840     -8.84742124
  H     16.81671773      9.31116771     -9.23093093
  O     12.81904096      5.47374709    -15.57008032
  H     14.42978893      6.33956256     -9.51703009
  H     15.06935176     11.38698378    -13.54572230
  O     15.12687973      9.55319328     -8.80026740
  H     18.78530605     10.18197834    -10.54604817
  H     16.15160921     12.07091905    -12.62880256
  O     14.10772454      5.72194376    -11.31069556
  H     19.61760352     10.09830895    -11.84598188
  H     13.34182438      7.22184760    -15.18014237
  O     17.92117455     12.61621898    -12.57595898
  H     16.59188117      8.45745856    -16.37364346
  H     13.65862491      8.11951316    -13.95476505
  O     17.65110144      9.04378891     -9.65147048
  H     15.44035641      7.77694214    -15.59148945
  H     14.26321767      3.61081005    -13.51962512
  O     15.31534728     11.58937660    -12.62825544
  H     17.22689560      6.03102263    -12.62287883
  H     13.47614571      4.53425634    -12.57818128
  O     13.76838570      8.04572409    -14.91326454
  H     16.67511077      4.58554536    -12.61613270
  H     14.22676950      9.88693565    -15.14400398
  O     13.38887803      3.99046929    -13.37375838
  H     19.22080953     10.35362887    -14.38483558
  H     15.41426797     10.64931973    -15.75890254
  O     14.67914101     10.74001927    -15.14085879
  H     18.41428589     11.64368162    -14.14118214
  H     17.37147787      7.40705468    -14.52595553
  O     17.79045788      7.41616007    -13.65530830
  H     17.62010945     10.52943280    -16.09761884
  H     17.27609565      8.04085077    -13.11596407
          69
 Energy    -250.13581378890777     
  O    -10.33534784      1.52685915      3.19891347
  H    -10.52548771      2.44789029      2.96510508
  H    -10.81630270      1.14805034      4.85316931
  O     -6.07155664      0.89769063      5.61201370
  H    -10.12010726      1.05802177      2.38271820
  H    -11.53942239      5.82280729      6.42326017
  O     -7.95660247      4.16421176      6.01160440
  H     -5.23010545      1.33178323      5.42678172
  H    -11.92598715      7.29127364      6.12929121
  O    -13.21845782      2.55118327      6.12139297
  H     -6.72160364      1.33736707      5.03921988
  H    -13.13526007      3.87456684      4.71398990
  O     -7.80204898      2.29718325      4.04043539
  H     -8.48627160      3.74061240      6.69650962
  H    -12.61137711      5.31823661      4.60923730
  O     -7.42498493      0.69949512      8.01491433
  H     -7.89526842      3.51137860      5.29491220
  H     -8.52421005      0.13324713      1.17944468
  O     -9.53631214      2.55485653      7.63762595
  H    -13.99065733      2.03767096      6.34484033
  H     -9.64925540     -0.19583686      0.16902120
  O    -11.62448496      4.45773577      7.50685942
  H    -12.48583050      1.92055605      6.01779788
  H     -6.31643906      0.22306621      1.99568486
  O     -6.82047629      6.23619559      2.97541348
  H     -8.65846638      1.94735643      3.76831887
  H     -7.11134693     -0.83207141      2.79961036
  O     -5.03287931      1.51127319      2.18126022
  H     -7.39574133      2.71183030      3.26733293
  H     -8.79518621      5.33163813      4.95881983
  O    -10.71424445      4.18428797      2.57185850
  H     -6.82726056      0.51932539      8.73617910
  H    -10.01076370      6.25377903      4.72095312
  O    -10.99196651      0.98670511      5.79219568
  H     -6.87943960      0.81301799      7.21878934
  H     -6.73433602      4.56473265      2.10555234
  O    -11.55860438      6.50722863      5.72989406
  H    -10.04672273      2.05493783      6.98349800
  H     -7.54228910      3.56006520      1.22583232
  O    -12.96426290      4.58732642      4.08646859
  H     -8.83394610      1.96351013      7.93335526
  H     -8.56996605     -1.27369649      5.75875578
  O     -9.37612034      0.44348180      0.82088741
  H    -10.86994302      3.90370629      7.74196055
  H     -8.62762144     -0.53610842      7.10373533
  O     -7.07479005     -0.37788506      1.95177535
  H    -12.28052386      3.85061406      7.13982106
  H     -6.40034163     -2.24370522      4.71751643
  O     -9.21931703      5.89962256      4.29697502
  H     -6.72613600      7.08956019      2.55952220
  H     -6.55684751     -0.72806877      4.97397024
  O     -6.77926603      3.64650433      1.81806954
  H     -7.69708879      6.22591391      3.39474250
  H     -4.43499067      3.32907927      4.82572570
  O     -9.17914326     -0.97380988      6.44396480
  H     -5.52812998      2.29558448      1.90285341
  H     -3.03846690      2.66859045      4.85850868
  O     -7.00555625     -1.51185700      4.61645014
  H     -4.57974203      1.77366304      2.98891361
  H     -9.75566128      3.65278366      1.01890996
  O     -3.96481106      2.48107203      4.73385695
  H    -10.12332120      4.75374438      3.07975951
  H     -9.22716886      2.32326336      0.42965644
  O     -9.09451411      3.27949062      0.42043035
  H    -11.59582328      4.31011799      2.95350778
  H     -5.69992964      5.34948231      4.31754185
  O     -5.40116597      4.77984905      5.03526468
  H    -10.47929602      0.20348697      6.03771745
  H     -6.18921222      4.62561865      5.57409511
          69
 Energy    -250.13535459546665     
  O     16.29862217      3.74478938    -10.10327861
  H     15.35906842      3.67384505    -10.31010256
  H     17.24837216      7.40401925    -15.21393934
  O     18.81530588      8.00788168    -14.42899473
  H     16.39197295      4.42630496     -9.42726000
  H     11.48156157      6.95715999    -13.53490936
  O     13.80599639      8.68734986    -12.33028378
  H     18.98468035      7.37295759    -13.70949635
  H     12.43237238      5.90539138    -12.93494419
  O     11.07902753      7.16990203    -15.28174711
  H     19.66360491      8.23203605    -14.80195377
  H     15.15352212      6.86721026    -10.63690267
  O     17.14834514      9.96480912    -13.14054279
  H     14.57953809      8.14283210    -12.11590173
  H     16.57946324      7.13608401    -11.15266500
  O     18.11885883      7.40037909    -10.10738231
  H     13.07095410      8.07148525    -12.45968991
  H     17.41826749      3.67513370    -11.43387039
  O     19.19063729      6.28291432    -12.38916650
  H     11.58500081      7.84163511    -15.75544636
  H     18.41726621      2.83922870    -12.26960136
  O     12.41210711      4.72499051    -16.11743865
  H     11.38813278      6.32177142    -15.62325779
  H     13.60443812     10.65481278     -9.70886550
  O     16.59079556      5.89099559     -8.19655041
  H     17.77936282      9.36054954    -13.55050184
  H     13.93281257      9.58952198    -10.78038796
  O     12.84754416      8.97623861    -16.66097749
  H     16.39225237      9.98915379    -13.73598827
  H     14.24518471      8.16563981     -9.11993307
  O     14.19767601      6.49728716    -17.11336298
  H     17.73784548      6.93168145     -9.35658513
  H     13.52873106      6.77670836     -9.23617383
  O     16.35786092      7.08043654    -15.40031540
  H     17.82758139      8.32670534    -10.07275480
  H     14.40254292      9.19835836    -13.94951087
  O     11.93101607      6.70246149    -12.71614070
  H     18.87589365      5.37337688    -12.34854380
  H     15.35465724      8.56892937    -15.00968820
  O     15.68773078      6.90268598    -11.44023957
  H     18.95961428      6.68633095    -11.53955633
  H     16.10114238      9.98741509    -10.12809649
  O     17.97454995      3.68252395    -12.23399524
  H     13.09408432      5.30125089    -16.50819896
  H     17.08311341      9.99631838    -11.32319194
  O     14.14404303      9.88692359     -9.87924818
  H     12.11097064      4.14632792    -16.81286709
  H     11.96885831      6.22508838    -10.88673680
  O     14.34828559      7.21918582     -8.96379707
  H     15.76465087      6.38239694     -8.34842115
  H     12.62318515      4.99401785    -10.22998613
  O     14.82726174      9.35596830    -14.80577826
  H     16.68865170      5.80236230     -7.25182480
  H     15.83490410      5.75184605    -12.74939595
  O     17.02668084      9.87035016    -10.36289376
  H     12.68630006      9.74792045    -17.19761779
  H     16.65508884      4.53181835    -13.22861026
  O     12.26479029      5.86951970    -10.03828127
  H     13.53196715      9.22266384    -16.01574390
  H     13.12381372      2.59264111    -10.79226035
  O     15.94024156      5.12623656    -13.48490291
  H     15.03134347      6.65259159    -16.65016375
  H     13.42435970      3.68435468    -11.84135669
  O     13.53071338      3.44926735    -10.90441826
  H     13.73650004      7.34553707    -17.11811433
  H     12.96183519      4.36645664    -14.39090123
  O     13.32537461      4.36104923    -13.49654940
  H     16.20613860      6.35027415    -14.78333705
  H     14.26479696      4.58998944    -13.57242040
          69
 Energy    -250.13528694171669     
  O     12.35653991      9.69072702    -11.32478793
  H     12.74933098      9.74820283    -10.44358202
  H     15.91732949     10.56163865    -12.16140911
  O     11.05279029      6.67717482    -13.21599308
  H     12.79876123      8.97537828    -11.79314441
  H     12.73314096     13.37363854     -6.90673664
  O     12.04884652     12.27135305    -12.21912099
  H     11.01381704      7.51716016    -13.71103308
  H     11.76830836     13.51484998     -5.70637759
  O     13.05204580      9.87422446     -8.62482506
  H     10.69336603      6.00583004    -13.78966632
  H      9.26296685     12.56767283    -10.84972021
  O     15.09706931      7.51864814    -10.36285660
  H     12.16915985     11.33512542    -11.99767088
  H     10.77137668     12.80429284    -11.09629504
  O     13.78242533     15.47566920     -9.73801355
  H     12.87400756     12.70553109    -11.97087569
  H     12.07723956      6.93239791     -9.27720470
  O      9.79908058      9.47452557    -10.24967749
  H     12.93241289      8.92722863     -8.47826945
  H     12.73859921      6.41015427     -7.98217494
  O     14.47850128     13.19546523    -11.24204649
  H     12.22132229     10.33069524     -8.43178420
  H     11.00298446     11.91905804     -7.60421857
  O     14.32080356     13.65228070     -7.57669413
  H     14.41838647      7.30841528     -9.71324230
  H     10.48879932     11.90190722     -9.05521809
  O     10.71757855      6.80829951    -10.38102628
  H     14.67010721      7.42017984    -11.22716716
  H     14.46049505     10.91267553     -8.88128000
  O     11.24255576     14.96923913     -8.91235240
  H     12.84639281     15.35705218     -9.49622066
  H     15.84470118     10.92616327     -9.56887340
  O     15.43804223     11.04001231    -12.84892297
  H     13.92756716     16.41425507     -9.82075050
  H     12.12476764      9.27284818    -14.67510881
  O     11.80371379     13.27982652     -6.62962730
  H      9.95602016      9.96572676     -9.43290629
  H     10.69998699      9.79975678    -14.39495721
  O     10.04963273     12.97569012    -10.47150791
  H     10.63278619      9.51393250    -10.74567901
  H      9.25010919     11.34586030    -13.23886608
  O     12.80614991      7.08668908     -8.65084248
  H     14.30519588     14.05822092    -10.84621214
  H     10.69625812     11.82179509    -13.45942832
  O     10.70278188     11.32632523     -8.30566520
  H     14.70683811     12.60765572    -10.50694119
  H      7.22928161     10.98243344    -11.59414473
  O     15.19751108     11.49111456     -9.13020943
  H     14.75497450     12.90428196     -8.00843457
  H      8.64087594     10.50636988    -11.18074698
  O     11.20815274      8.99461516    -14.56972475
  H     14.26951799     14.34718272     -8.24428192
  H     14.49638423      9.62508947    -15.47783197
  O      9.96195974     11.36148745    -13.88817458
  H     10.79925927      6.69020804    -11.33561073
  H     14.52057057     10.13448918    -14.02145717
  O      8.15371876     11.21300161    -11.63668051
  H     10.20702245      7.61977439    -10.26237034
  H     17.60950640      9.39541728    -10.62989340
  O     14.05323893      9.54242801    -14.63738004
  H     11.31625390     14.49820848     -8.07390442
  H     16.15476788      8.88286353    -10.51310088
  O     16.69923352      9.67793285    -10.65579685
  H     10.71992667     14.39726577     -9.49089928
  H     13.88333316      8.13137780    -13.46255641
  O     13.67310251      7.55200076    -12.71746179
  H     15.16517502     11.87499019    -12.45017396
  H     12.84575839      7.09961408    -12.92565375
          69
 Energy    -250.13469954910889     
  O     -1.99600675      9.11429186     -9.34972300
  H     -1.85102049      8.92855122     -8.41436359
  H     -4.38105165      7.42038626    -14.21794985
  O     -6.95616449      7.86703604    -12.20295990
  H     -2.95712211      9.20790985     -9.44074316
  H     -5.50042803      4.56036443    -12.51101566
  O     -4.75733214      9.58808510     -9.43218339
  H     -6.04993132      8.16310516    -12.38236716
  H     -3.97060857      4.39709467    -12.46375375
  O     -6.41460168     12.75966520    -12.01571412
  H     -7.06917206      7.05550203    -12.71106191
  H     -2.30007278      5.90309594    -12.53243073
  O     -4.26042126     10.58337419     -6.84784752
  H     -4.69201879     10.04785499     -8.58539123
  H     -1.51686646      4.87120040    -13.37291670
  O     -2.10345371     11.88335487    -10.11256793
  H     -4.70701542     10.22971524    -10.15230433
  H     -1.64168132      8.39554855     -5.86592697
  O     -6.91319277      9.77727519     -6.55910406
  H     -6.81144716     13.25985828    -12.72266228
  H     -2.82037081      7.86483432     -6.71807363
  O     -6.69194482      5.49645943    -13.73014876
  H     -6.95524664     11.95584074    -11.89628845
  H     -7.39553102      6.27075227     -6.67761291
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  H     -3.48406725     13.92620345     -7.62472591
  O     -4.41158759      6.59635957    -14.72515986
  H     -1.86099173     10.99235410     -9.82874059
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  H     -6.88892391      8.81367839     -6.52584400
  H     -3.40840253     11.51877475    -11.29229933
  O     -2.38730532      5.23520590    -13.23335809
  H     -5.99572534     10.07797765     -6.50122752
  H     -8.93970632     11.32211549     -8.37438562
  O     -2.23171050      8.62979876     -6.57677126
  H     -5.91510011      5.87060728    -14.18458114
  H     -7.69380978     10.54203112     -7.90799162
  O     -6.76236361      6.95899533     -6.86553670
  H     -7.21643997      5.06167596    -14.39729156
  H     -6.13303716     13.04081467    -10.16662622
  O     -3.62762452     13.05125769     -7.97535210
  H     -6.80286379      7.50654787    -10.42736416
  H     -6.72351876     12.32219404     -8.94491200
  O     -4.16982730     11.11884870    -11.73746302
  H     -5.88012579      8.25201330     -9.43902941
  H     -3.11475089      6.58286018    -10.62420201
  O     -8.07834312     11.02574712     -8.65909735
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  H     -2.10315108      7.75735645    -10.62557177
  O     -6.02757107     12.93462333     -9.21341185
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  O     -2.50583013      7.08456408    -11.18785701
  H     -3.92365747      6.14393489     -7.91861010
  H     -4.52867135      5.03121726    -10.39175294
  O     -4.35120670      5.67209164     -9.68758001
  H     -4.85613455      6.68919896     -6.82562673
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  O     -4.32741977      8.58644593    -12.76219514
  H     -3.65935139      6.08097674    -14.40851241
  H     -3.69890382      8.09129833    -12.22122321
          69
 Energy    -250.13461005289196     
  O      1.32999915     -0.37897055      4.65365259
  H      1.01813950      0.46844113      4.99076751
  H     -4.03974890     -1.49729200      6.82910499
  O      1.03825047      0.97322597     -2.89019877
  H      0.61591523     -1.00267261      4.84108761
  H     -0.36329478      2.34389413      3.69050790
  O     -1.09529132     -1.84251085      4.86241933
  H      1.32983455      0.05276885     -2.92627950
  H     -0.15769204      2.24727050      2.13641027
  O     -1.04490511      0.64021231     -0.95163992
  H      0.21167864      0.96359877     -2.39103479
  H     -4.17746912      0.83685874     -1.45281298
  O      1.93203570     -1.71715976     -2.48002684
  H     -1.83659454     -1.69434191      5.46013501
  H     -2.80213032      0.64321490     -0.77375354
  O      3.35727189     -0.58588343     -0.46210208
  H     -1.30403732     -1.32736082      4.06850098
  H     -1.29063968      0.53670662      2.66805981
  O     -3.46801763      2.76721674      3.32719563
  H     -0.87907348     -0.31113675     -1.04028544
  H     -2.59293292     -0.24062518      2.37357953
  O     -3.74551832     -3.74992039      1.95359904
  H     -0.43707264      0.97524264     -0.27989508
  H     -0.31721758     -2.27902976     -0.28766471
  O      0.08572257      2.07438788      5.46047809
  H      2.47763247     -1.38693853     -1.74334918
  H      0.26378898     -2.08537729     -1.71837956
  O      2.76726070      2.15953447     -1.15166205
  H      2.48529804     -2.30197145     -2.99072658
  H      1.38850476     -1.37148702      1.77815435
  O     -4.67939910     -1.76535384      3.75227374
  H      3.04892069     -0.68346467      0.44917491
  H      1.93385308     -0.54637080      2.96386243
  O     -3.53509469     -1.12523266      6.11118601
  H      3.34367073      0.36050028     -0.64760703
  H     -2.91747064      0.62765048      5.93294339
  O     -0.81473370      2.37018899      2.83572790
  H     -2.52616218      2.72228722      3.08504571
  H     -3.02868617      1.89658216      5.05061468
  O     -3.75810862      0.50078062     -0.66468323
  H     -3.71486740      3.68836090      3.30728394
  H      1.55599701      1.93179098      0.24321159
  O     -1.64972519     -0.34929408      2.54282415
  H     -4.25972792     -4.51182103      1.69656786
  H      1.30033469      0.81043252      1.28772704
  O     -0.55461285     -2.07936430     -1.20852569
  H     -3.55890166     -3.25802179      1.13535724
  H     -1.13667185     -3.49405361      3.90567750
  O      2.01744525     -0.67210861      2.00752678
  H     -0.83579531      1.84029324      5.67465554
  H     -2.07541760     -4.08323151      2.83027312
  O     -2.54646965      1.50753712      5.78838313
  H      0.39752388      2.63879247      6.16270457
  H     -0.32429221     -3.11859635      1.97897913
  O      0.90520540      1.58970103      0.86760820
  H      3.27927858      2.86730383     -1.53251967
  H     -0.66323466     -1.62999277      1.73554677
  O     -1.18093976     -4.14304400      3.19001456
  H      2.18916517      1.81594239     -1.85629844
  H     -3.54385891     -1.44032368     -0.47213413
  O     -0.08760067     -2.35176119      1.43956581
  H     -4.39120686     -2.50064595      3.19752761
  H     -2.36332898     -2.38535597     -0.74924596
  O     -3.23544017     -2.34222227     -0.33552602
  H     -4.73471082     -0.99869887      3.16570358
  H     -4.23636227      0.51465446      1.11072830
  O     -4.33202585      0.41908768      2.06733664
  H     -3.98848575     -1.38023037      5.28677318
  H     -4.16124037      1.28193468      2.46790836
          69
 Ord_Energy   -250.134354    
 O   -4.74064541      -2.32503176       4.42471981    
 H   -3.82642627      -2.01771092       4.38070631    
 H   -5.27049112      -1.51855636       4.39997959    
 O   -6.44269276       2.87561560       7.81429243    
 H   -5.91609240       3.39516401       7.19320917    
 H   -5.93279505       2.83333325       8.63205242    
 O   -2.15358639      -1.08255053       9.05701542    
 H   -2.62923837     -0.652272224       8.33381367    
 H   -2.17025638      -2.02488685       8.84550667    
 O   -2.80232978       6.04813433       5.13853455    
 H   -2.62898254       6.96809244       5.31853914    
 H   -1.94791269       5.58370066       5.19873047    
 O   -4.66695547       2.66133690       10.0773468    
 H   -4.58058596       1.71525192       10.2936478    
 H   -4.69991112       3.13210416       10.9054375    
 O  -0.682207763       3.62435365       2.43282604    
 H  -0.245477408       3.80216479       1.60470259    
 H   -1.56002772       4.04455328       2.38640523    
 O   -3.17638588       4.69449520       2.61848569    
 H   -3.14315891       5.28304195       3.38279080    
 H   -3.71709943       3.94071126       2.89191628    
 O  -0.480441600       4.63395882       5.12527847    
 H  -0.371347815       4.33521986       4.21419048    
 H  -0.389181435       3.84560966       5.67662859    
 O   -2.24604130      -1.03238773       4.89165878    
 H   -2.73959041     -0.708377779       5.65953159    
 H   -1.97256124     -0.243472099       4.40417385    
 O  -0.402856022      -2.68458557       5.98477983    
 H   -1.03812075      -2.11975789       5.50915384    
 H   0.178989753      -3.05907249       5.32842588    
 O  -0.647377372       2.17104673       6.49555349    
 H   -1.40906513       2.38685989       7.05196667    
 H  -0.252252698       1.36730897       6.86147261    
 O   -4.38357973       9.02209990E-03   10.4572496    
 H   -3.53456044     -0.388383746       10.2296982    
 H   -5.02784824     -0.398825556       9.85995102    
 O   -2.17013931      -3.67261314       7.90699720    
 H   -1.51806819      -3.42047596       7.23424387    
 H   -1.90487766      -4.52709818       8.24022675    
 O   -3.72962999      0.107752778       6.96744013    
 H   -3.52954197       1.00873244       7.25663662    
 H   -4.47330761     -0.235192567       7.48639345    
 O   -5.74617434      0.311594337       4.92300034    
 H   -5.02288437      0.252896875       5.56212091    
 H   -6.54567766      0.422633559       5.45273733    
 O   -4.93534613      -3.17012000       7.08285379    
 H   -4.90886736      -2.99478102       6.13067865    
 H   -4.04283190      -3.42240644       7.34034204    
 O   -1.61858833       1.48252022       3.98930836    
 H   -1.21844935       2.09172797       3.35748053    
 H   -1.26767373       1.71534491       4.86278534    
 O   -3.02796698       2.64379168       7.82155848    
 H   -3.46011305       2.71253610       8.68186951    
 H   -3.52629781       3.20608401       7.21019936    
 O   -7.71163225      0.668665946       6.90431309    
 H   -7.31303358       1.49050844       7.24579096    
 H   -8.65704346      0.786549747       6.92977715    
 O   -4.27477551       2.40208220       3.84874105    
 H   -4.89075851       1.68167543       4.03390455    
 H   -3.38112283       2.03337240       3.89304042    
 O   -4.56684971       4.07589436       6.04390144    
 H   -4.05638218       4.86235428       5.81299782    
 H   -4.53719425       3.49547672       5.26921415    
 O   0.127710775     -0.262492895       7.56999016    
 H   0.154329449      -1.05423486       7.02295923    
 H  -0.506349981     -0.470223010       8.26856995    
 O   -5.88224697     -0.960633099       8.33455658    
 H   -5.68347120      -1.81898987       7.92511845    
 H   -6.63011026     -0.555277944       7.88169050    
          69
 Energy    -250.13389530690262     
  O     16.34223454     10.75326827    -15.61810052
  H     16.06199949      9.92252663    -15.99329304
  H     18.71894447     12.24657141    -17.27545324
  O     18.65541880     17.68683852    -14.92183893
  H     16.85959958     11.20900288    -16.30601083
  H     13.91553356     13.06254410    -11.45234752
  O     20.95634473     11.81087967    -14.09374797
  H     18.60076888     18.42646778    -14.30471150
  H     14.72491254     13.15965906    -12.76688880
  O     16.24352653     15.74089689    -11.72935685
  H     17.91036441     17.10034994    -14.72141294
  H     20.91743635     15.72748501    -13.67968822
  O     14.85483109     14.94232433    -16.40183197
  H     20.10351700     11.40634448    -13.87689958
  H     20.25197722     16.90078132    -14.46823302
  O     17.29379650     12.19925973    -11.22874842
  H     21.01957588     12.57937900    -13.51381279
  H     17.80273957     15.05091512    -11.01714144
  O     14.75024440     12.80042465    -14.47180132
  H     16.37237514     15.85545185    -12.68230776
  H     19.04636527     15.40959998    -10.17615470
  O     20.26152236     12.92141131    -16.51885020
  H     15.63648136     14.99663657    -11.63591862
  H     19.86581321     16.00489878    -17.29639368
  O     21.59833046     15.41751114    -16.72783736
  H     14.09351921     15.32240670    -16.83364713
  H     18.82158947     16.90497374    -16.61398051
  O     17.39580514     18.15230511    -10.86388679
  H     15.54719896     14.85672439    -17.07711709
  H     20.21692838     18.76853257    -12.25841190
  O     20.33008359     14.30672913    -12.79240514
  H     17.82202107     12.92991607    -10.88394598
  H     21.17550000     17.64389812    -12.68627081
  O     17.78859088     12.09651106    -17.49683027
  H     16.40039074     12.54552632    -11.34313259
  H     18.07829838     19.10675598    -12.14819397
  O     14.74373576     13.36526692    -11.81508679
  H     15.24950747     12.06680642    -14.85213533
  H     18.34902840     20.49793655    -12.77031907
  O     21.10230194     16.49194878    -14.24779108
  H     14.74188310     13.49333166    -15.14138049
  H     20.26523508     17.42476542    -10.47159822
  O     18.60714778     14.67821010    -10.62775674
  H     20.61810971     12.45753556    -15.74439565
  H     20.29181364     17.30143605     -8.93062500
  O     18.94976377     16.29958176    -17.35609588
  H     20.80774588     13.70171323    -16.66496349
  H     17.55241236     10.86820793    -14.14740316
  O     20.90668620     18.17819528    -11.92974155
  H     22.46162416     15.64302919    -17.06470974
  H     17.88731732     11.41727030    -12.70718228
  O     18.56990314     19.57393371    -12.84810712
  H     21.53580178     15.80547617    -15.83844026
  H     18.90176293     13.59200618    -15.41237217
  O     19.78828101     17.06221900     -9.70409982
  H     16.86713463     17.37763799    -11.09769834
  H     18.18882343     12.89233752    -14.23587898
  O     18.25825146     11.18590757    -13.57334508
  H     18.12890888     17.82249215    -10.32957561
  H     16.90188670     14.86026955    -19.18891809
  O     18.33034714     13.75448608    -14.65104664
  H     19.64706969     14.12622792    -13.45531619
  H     17.65146961     15.30978666    -17.91576220
  O     16.91962012     14.75454580    -18.24072534
  H     19.85193996     14.40347551    -11.95944362
  H     15.94126676     15.69992505    -15.06665328
  O     16.66214276     15.86034031    -14.44913079
  H     17.45177354     12.95336205    -17.78098908
  H     17.24865813     15.08665006    -14.50901966
          69
 Energy    -250.13318447950007     
  O     19.62890308      9.55133154    -15.07607127
  H     20.07046807      8.73683657    -14.79145027
  H     15.75413981      9.18182475    -14.08853536
  O     21.39043743      6.79826650    -11.49791631
  H     18.87565812      9.27686771    -15.61040496
  H     17.97576640      6.81107284    -12.07335509
  O     15.47818796      9.40157002    -10.45603373
  H     20.91706868      6.02818354    -11.16512987
  H     18.90194391      7.16256292    -13.29524702
  O     12.70375108      9.57846714    -13.66387554
  H     20.95451874      7.58412059    -11.13271077
  H     14.54084642      6.43381279    -12.73978721
  O     17.33457592      8.62338744    -16.58004076
  H     14.58357743      9.75101642    -10.54821445
  H     13.33489374      6.42837750    -13.71319192
  O     11.54939439      6.96791889    -13.41960976
  H     15.94724533      9.57943851    -11.28721204
  H     16.88681581      8.94922919     -9.43479280
  O     17.62016268      6.12188588    -10.39211144
  H     13.51798259      9.44161267    -14.16319534
  H     17.66861377      8.85755120     -8.10506828
  O     14.95731931      6.68625198    -10.98208564
  H     12.21653014      8.74630504    -13.71837655
  H     20.98169144      4.44322429    -16.28384829
  O     19.80080154      4.46903578    -10.81396758
  H     16.55308763      8.66648390    -16.00642600
  H     19.64443380      5.18856617    -16.04886216
  O     20.57679876      7.17402632    -14.05324850
  H     17.09142118      9.05397962    -17.39702883
  H     12.28149229     10.86352836    -10.79417826
  O     19.03376950      3.81399946    -13.33436274
  H     11.67357559      7.02714701    -12.45514705
  H     12.79311582      9.99876097    -11.97083812
  O     15.21636780      8.77044016    -14.78220577
  H     10.71187658      6.53734850    -13.56609824
  H     19.79243799      9.72967091    -11.38170080
  O     17.99116895      7.16737277    -12.97118322
  H     17.79725603      6.86899691     -9.80668164
  H     19.23007572      9.02506301    -10.12628284
  O     14.29491799      6.35165344    -13.67356498
  H     18.37738230      5.52185929    -10.37535933
  H     19.48571635     10.50892645    -13.65306487
  O     17.69933426      8.60862396     -9.02570722
  H     15.79617048      6.26366047    -10.75802186
  H     19.74302385     11.81953476    -12.87102287
  O     20.43860727      4.83602922    -15.60646794
  H     15.09121498      7.62724518    -10.80212802
  H     17.17168846      5.85634736    -13.87106063
  O     12.83275474     10.11446533    -11.00415104
  H     19.54497363      4.19709577    -11.71430680
  H     15.76922944      5.32342959    -14.19436936
  O     19.99676604      9.07115149    -10.70775065
  H     20.18368122      3.70269833    -10.39552110
  H     17.91601289      6.79371763    -16.64807233
  O     19.31737272     10.96920546    -12.80948258
  H     21.01070473      7.03101826    -13.19779787
  H     17.52857234      5.50454412    -15.90141861
  O     16.70557678      5.11674814    -14.29398082
  H     20.66412672      6.37041565    -14.57827694
  H     12.31840254      8.25989874    -10.70905329
  O     18.12838701      5.85647746    -16.57485188
  H     18.14279482      4.06069273    -13.61428417
  H     13.08204983      6.92309819    -10.71066213
  O     12.19832789      7.30585350    -10.79495387
  H     19.60628484      4.04223483    -14.07700284
  H     17.62422679     10.26584754    -12.77747009
  O     16.88637285      9.64434437    -12.76966102
  H     14.94894222      7.89869027    -14.45668708
  H     17.27946726      8.75963731    -12.85648040
          69
 Energy    -250.13219702858549     
  O     15.27055483      8.49390929     -9.33130069
  H     14.67907813      8.20199690     -8.64274892
  H     13.37496211      7.93149276    -15.98797428
  O     16.18787739      5.51608501    -16.73352044
  H     14.74253948      8.56904167    -10.14525484
  H     17.27936929      8.33251263    -18.69760512
  O     16.84287531     10.77099512     -9.96827177
  H     16.37642507      6.31254956    -17.24377944
  H     17.63621607      8.13518827    -17.20274591
  O     18.03701388      9.88790988    -13.75816388
  H     16.93826507      5.40877218    -16.13630664
  H     16.98033358     11.46126294    -13.95193047
  O     10.53585399      9.90155642    -13.00035763
  H     16.28072547     10.06451403     -9.62547913
  H     16.07060952     12.34322088    -13.07010613
  O     16.59271853      5.69735119    -12.82543946
  H     16.25855021     11.40160663    -10.40595237
  H     16.11492991      7.34904488    -13.44941329
  O     12.01335361      7.42813180    -13.06014264
  H     17.24542241      9.32925421    -13.71329066
  H     15.21652387      8.50398332    -12.94871823
  O     15.11056419     12.55397667    -11.35258224
  H     18.47054510      9.79700031    -12.90064859
  H     19.00291166      4.83248048    -14.70084569
  O     13.96741968     11.24469896    -15.15341269
  H     10.74196585      9.97438011    -13.95120033
  H     17.75348165      5.51142831    -14.09331916
  O     13.68545807      4.85437904    -15.92825103
  H      9.61087108     10.11043996    -12.90249791
  H     13.18522124      5.82918068    -12.91442022
  O     14.88425729      8.84287193    -16.14420025
  H     15.66000026      5.44009072    -12.79109828
  H     13.81649046      4.99505743    -14.03670658
  O     12.56034736      7.43791366    -15.80458946
  H     16.86189202      6.08834940    -11.97989002
  H     19.74808595      9.72316306    -10.67219869
  O     16.92512801      8.03900506    -17.86330786
  H     12.20428476      7.42237948    -14.01048767
  H     18.22968123     10.02010421    -10.69178495
  O     16.29200732     12.13853452    -13.98493680
  H     11.37466287      8.13839649    -12.92544548
  H     18.63309251      8.80922595    -15.17867945
  O     15.82722888      8.24822991    -13.65056828
  H     14.29542011     12.17284253    -11.71672988
  H     18.71454377      7.28448499    -15.46377034
  O     18.34369774      5.50114045    -14.86747863
  H     14.90117845     13.45065770    -11.09979373
  H     16.70507935      7.48537607    -10.08620336
  O     13.89538847      5.20466777    -13.09637477
  H     14.77472320     11.68916192    -14.85219759
  H     18.01089082      7.82299321    -10.82338281
  O     18.93521133      9.49983326    -11.11791496
  H     14.27554852     10.43881808    -15.59207713
  H     11.66281332      9.13187060    -15.80451194
  O     18.74553364      8.15490859    -15.88036880
  H     14.58283680      5.07915478    -16.23337445
  H     12.18611803     10.57026280    -15.57728398
  O     17.40322380      7.09930787    -10.62863461
  H     13.43927317      4.04846053    -16.37452047
  H     12.08275595     10.92963413    -12.58873919
  O     11.38866647     10.02574301    -15.55952579
  H     15.26292752      8.59061258    -15.28705097
  H     13.30717752     11.26857299    -13.48474339
  O     12.98636036     11.26673545    -12.56853584
  H     15.54230228      8.64607867    -16.82030812
  H     13.66980915      9.71547437    -11.91123099
  O     13.93668787      8.81658988    -11.67896015
  H     12.78819543      6.51034906    -15.94033206
  H     13.29174185      8.22684422    -12.09438756
          69
 Energy    -250.13157918569661     
  O     20.88105717     12.15136175    -18.39056695
  H     21.42968686     12.76690206    -17.87297432
  H     19.28191794     17.92294696    -17.16579188
  O     17.28376171     17.86173926    -13.88621484
  H     21.47647702     11.67054612    -18.95992478
  H     22.36646016     16.41646961    -14.81158664
  O     22.70447090     13.42662956    -14.11625378
  H     18.14727556     17.53695140    -13.59596121
  H     21.43464679     16.30484934    -13.57544452
  O     15.53504450     13.74597892    -14.01952386
  H     17.41861870     18.22063114    -14.76941834
  H     18.58659389     12.67537745    -13.43207276
  O     16.78249697     12.24102401    -17.56545777
  H     22.61681276     14.38437281    -13.95510258
  H     17.51914183     11.57465989    -13.30983101
  O     14.83195888     11.58235235    -15.61136122
  H     23.36397454     13.10177793    -13.51031108
  H     17.81053545     10.30669401    -15.17888015
  O     22.42809595     13.84088513    -16.92880123
  H     15.40112841     14.56567734    -13.52653273
  H     16.30868943     10.49670505    -14.89610651
  O     22.45429359     16.71027132    -16.72119723
  H     16.31478298     13.31346820    -13.63810314
  H     16.31370910     16.24740226    -17.46343254
  O     15.56478217     16.16792233    -12.64844590
  H     16.02253279     11.92752338    -17.06047537
  H     17.04128831     16.75732379    -18.72210148
  O     19.98085551     12.96546640    -14.52989295
  H     17.56527487     11.83976350    -17.15745846
  H     19.17193574     15.89879873    -12.58434727
  O     18.58669879     13.55187512    -19.30567661
  H     14.95390170     12.34921272    -15.02725748
  H     19.41638703     16.01899970    -14.11324002
  O     19.91744070     17.30184669    -17.54591437
  H     13.90960561     11.34408660    -15.56052776
  H     17.20202550     18.24891956    -17.07205478
  O     22.31706282     16.08558285    -13.90701655
  H     22.60566714     13.59373866    -16.01272356
  H     17.50340640     19.73221885    -16.73931442
  O     17.75754975     12.45329861    -12.98326616
  H     22.46531444     14.80399378    -16.94752752
  H     17.91772590     14.00482486    -11.88392478
  O     17.13617028     10.20497976    -14.49532988
  H     21.58665033     16.99816506    -17.04946166
  H     17.13603367     15.32775154    -11.79619557
  O     16.43155318     17.02751224    -18.02485388
  H     23.09918634     17.30983055    -17.08908677
  H     19.70476945     11.31331726    -17.14111289
  O     19.61997199     16.42978312    -13.25988137
  H     14.96958114     16.67879775    -12.10629815
  H     19.39618908     11.73843315    -15.70186800
  O     17.77551436     18.83828333    -16.54812648
  H     16.12258293     16.80701881    -13.12736764
  H     18.18787350     15.12183729    -15.96830032
  O     17.99032958     14.92545818    -11.60084726
  H     20.91267487     13.02990504    -14.29208373
  H     19.46149512     15.89361199    -16.39375562
  O     19.07889931     11.17131872    -16.42101438
  H     19.75344441     13.77154340    -15.01754392
  H     18.57795389     15.23855823    -19.60001960
  O     19.11864815     15.26588330    -15.74939520
  H     17.86601647     13.08014572    -18.87065817
  H     18.62295428     16.34239422    -20.68176081
  O     18.57781569     16.20312422    -19.73974221
  H     19.39859608     13.10011879    -19.04315093
  H     16.60311127     13.93085997    -16.91829323
  O     16.48863596     14.75637766    -16.42776271
  H     19.52641798     16.95373408    -18.35925917
  H     16.09705891     14.51519622    -15.57887148
          69
 Energy    -250.13148219402714     
  O      1.55111777     -2.01656918     -7.86458215
  H      1.71338702     -2.09395877     -8.81623666
  H     -3.02831046     -2.81297736     -3.99813482
  O     -1.39029202     -0.45167685     -6.16026085
  H      0.84996907     -2.65943545     -7.67998420
  H     -2.15897841     -0.22151436     -9.68744193
  O     -2.00767917      3.66716906     -6.61625032
  H     -0.83132216     -0.07009500     -6.84974583
  H     -0.81907642      0.50903840     -9.32382397
  O     -3.18695000      2.30176198     -8.60663281
  H     -1.87917259      0.26949404     -5.74505084
  H     -5.02268035      0.19597541     -6.98631454
  O     -0.01128575      1.73646581     -3.43316123
  H     -2.42911341      3.21870721     -7.37185629
  H     -6.12923890      0.52855832     -8.01287149
  O      0.38282686      0.51530471     -8.04179392
  H     -2.22675514      4.59204960     -6.68914848
  H     -3.23160240     -1.97826116     -8.45842943
  O     -0.37929148     -0.83686538    -12.08017914
  H     -2.61328288      1.79548588     -9.19550508
  H     -4.15390314     -0.83312928     -8.90737547
  O     -0.38651313     -3.99369365     -7.57632951
  H     -3.92202341      1.71867314     -8.38088101
  H      3.44070640     -2.40875255     -5.25007251
  O      1.46502532     -2.46635795    -10.56745589
  H      0.21896562      0.79927396     -3.56025114
  H      2.27723710     -2.18704512     -6.24095418
  O     -2.72356498     -2.70271647     -6.89520633
  H      0.35360260      1.99893841     -2.59242212
  H     -0.19779128     -0.81267430     -4.84002309
  O     -2.54229233      1.67753801     -4.71089753
  H      0.93519492     -0.26987791     -7.93140319
  H      1.19957886     -1.32686390     -4.40478511
  O     -3.92766217     -2.71175100     -4.36015325
  H      0.64733565      1.20861310     -7.41883354
  H     -4.03804026      0.55313610     -4.93886411
  O     -1.53585094      0.46141820     -9.97603624
  H     -0.76863385     -0.27059131    -11.39191986
  H     -4.43106136     -0.94774748     -4.93046880
  O     -5.18957125      0.39076884     -7.92573292
  H     -0.27453452     -0.29298210    -12.85642700
  H     -1.64735555     -2.22296153    -11.69991184
  O     -3.46465253     -1.43068178     -9.22217104
  H     -0.41386349     -4.32610238     -8.48199491
  H     -2.76778221     -2.43825894    -10.65680520
  O      2.49263287     -2.31794571     -5.30200314
  H     -1.26059936     -3.63549503     -7.36636182
  H     -0.82043982     -3.65301122     -3.94070344
  O      0.41796762     -0.85538954     -4.09183908
  H      0.95129098     -1.86861110    -11.12369467
  H     -0.82579209     -2.21828096     -3.43083816
  O     -4.66151068     -0.08843621     -5.30366236
  H      0.95500675     -3.28557159    -10.53519390
  H      1.26376747     -3.87453721     -4.95364964
  O     -2.20454956     -2.89846348    -11.29271775
  H     -3.26925184     -2.91321741     -6.12995483
  H      0.19223009     -4.46560159     -5.87318379
  O     -1.37984685     -3.00376277     -3.48955637
  H     -2.23873517     -1.89852799     -6.64303837
  H     -0.44488308     -5.48779087    -10.77011645
  O      0.49588922     -4.45597892     -4.95476141
  H     -1.77420741      1.72954931     -4.12781113
  H     -1.10482787     -4.09174896    -10.66569562
  O     -0.40487303     -4.66058842    -10.29793021
  H     -2.46192288      2.42148263     -5.32360102
  H     -0.22738874      3.00034098     -6.38294838
  O      0.58033448      2.51180820     -6.17579070
  H     -4.49391837     -3.27533907     -3.83999136
  H      0.51756067      2.30453812     -5.23663492
          69
 Energy    -250.13094846574654     
  O     -5.18103879      3.35874418      1.95096299
  H     -4.93259778      4.17988840      1.50756023
  H     -0.31675989      1.34159215      4.68744593
  O     -2.19087319     -2.12073952     -1.49717496
  H     -4.81196298      3.42761595      2.83903421
  H     -1.65891959      5.03022568     -1.22479915
  O      0.23591414      4.99804183     -0.99868171
  H     -1.23315969     -2.23632915     -1.50384719
  H     -2.70972664      3.97655776     -1.63239448
  O     -2.56133718      2.09327383     -1.87726428
  H     -2.38278645     -1.50376502     -2.21435501
  H      0.55056111     -0.65059404     -2.52964028
  O      0.51516700     -1.50944224      3.98284209
  H      0.29183203      4.06658443     -1.27483328
  H     -0.56252728     -0.04464388     -3.40549076
  O      0.58674841      5.05885526      1.85778526
  H      0.78360240      5.49407819     -1.60295276
  H     -2.35725633      0.54725387      4.20793430
  O     -1.46141862      2.47498566      1.78490859
  H     -1.61344381      2.15270250     -1.68943815
  H     -1.88991712      1.77464536      3.37865587
  O     -2.38559639     -1.20350335      3.81451657
  H     -3.01798454      1.84873597     -1.05822612
  H     -2.75071275      5.42999963      1.97127160
  O     -2.48536904     -0.10994437     -3.51644932
  H      0.97572603     -2.05288304      4.61596729
  H     -2.59444943      4.74131919      3.34413014
  O     -2.58793981     -1.03509778      0.99948824
  H      0.61750261     -0.58577243      4.27614396
  H     -4.37874380      2.01528938      0.98130125
  O      0.17037651     -1.01014286      1.27708142
  H     -0.29147111      5.26324479      2.20708831
  H     -2.85612003      1.82356327      0.97335548
  O      0.62155393      1.10927460      4.67286071
  H      0.50827695      5.08532886      0.89645333
  H     -4.09225160      3.85313041      5.32431879
  O     -2.60757808      4.88476820     -1.32196360
  H     -0.57042749      2.27980558      1.47502640
  H     -3.20707461      2.87963304      4.51362374
  O      0.34860092      0.08978590     -3.11587620
  H     -1.54039352      3.42438831      1.94049589
  H      0.59939104      2.04966723     -0.71669224
  O     -2.15010247      1.49129334      4.26844017
  H     -2.57245041     -1.27635933      2.86802898
  H      0.37945183      1.61275684     -2.19633511
  O     -2.09417713      5.11125611      2.60519861
  H     -1.46827955     -1.47712936      3.92791334
  H     -4.57879005      6.52231180      0.50224895
  O     -3.67636164      1.49259467      0.57273335
  H     -3.06821926     -0.03817186     -4.26784711
  H     -3.61091271      5.44513696     -0.04278439
  O     -3.71236395      3.70939157      4.46154190
  H     -2.60707300      0.69822670     -2.99003949
  H      0.83872145      0.65940311      1.10904658
  O      0.23787413      2.33598104     -1.56850068
  H     -2.57147245     -1.50344047      0.15202221
  H      1.53351016      1.96309901      1.66119628
  O     -4.09895349      5.73635708      0.74855603
  H     -3.08370891     -0.21759693      0.85913954
  H      1.29854142     -2.76862667     -1.20020548
  O      1.05307265      1.58330964      0.91610828
  H      0.36578910     -1.28049763      2.18342316
  H      0.59111969     -1.70699323     -0.32950752
  O      0.68308385     -2.04047739     -1.23692883
  H     -0.79463062     -0.96733890      1.19222864
  H      1.50195659      3.82947603      2.69449522
  O      1.98483748      3.08113431      3.08930499
  H      1.07702336      1.82354968      4.21323183
  H      2.83682388      3.41737212      3.35514868
          69
 Energy    -250.13040680469268     
  O     15.51997362     10.20774159    -10.89104266
  H     15.34756193     10.70605733    -11.70201596
  H     14.14585936      9.70365847     -9.83513094
  O     12.92165939     10.58076175    -16.29170560
  H     16.43540103     10.34839316    -10.62108664
  H     17.44198793      6.62749611    -15.61596724
  O     17.13012908     10.09059403    -14.58760118
  H     13.27028146     11.44905799    -16.05464174
  H     18.71958682      5.80634640    -15.83888655
  O     12.47603970      5.85229984    -11.22995602
  H     12.69973805     10.14690575    -15.45760230
  H     15.16237623     12.56104701    -16.03034826
  O     17.53604310      7.89867053     -8.66807881
  H     16.36013203     10.43079504    -14.11364635
  H     14.37084262     13.85184988    -15.70489245
  O     16.41463603     11.62660091    -16.82677502
  H     17.80609612      9.87061564    -13.93086878
  H     13.24768560      8.53463170    -14.03748246
  O     15.53087316      7.59953618    -11.92487598
  H     13.27753170      5.65275564    -10.73216992
  H     12.30796874      9.09879899    -12.94606427
  O     14.83359076     11.16654736    -13.36170828
  H     12.56061230      5.40240761    -12.08267882
  H     14.45181172      9.36806715    -18.79611730
  O     18.02700591      6.57520944    -12.49875433
  H     16.65202263      7.83622813     -8.28524747
  H     14.08406488      9.82652671    -17.36623021
  O     18.86093854      9.29107007    -12.62122575
  H     17.71072456      7.04376941     -9.07891668
  H     10.66892712      8.40183678    -11.18793257
  O     12.91165232      4.82858571    -13.77579815
  H     15.97761609     10.94272700    -17.34867340
  H     11.89737945      7.47218258    -11.31355791
  O     13.45410140      9.24530509     -9.33597846
  H     16.85739512     11.15947025    -16.10378971
  H     14.29849308      8.18761112     -8.28652344
  O     18.03280184      5.98042300    -15.19945550
  H     15.23453277      6.99787209    -11.22992816
  H     14.48517206      7.52581981     -6.89865637
  O     14.41262966     12.91793960    -15.52035542
  H     15.52877636      8.49372994    -11.56173277
  H     15.89781082      5.43616801     -9.92267321
  O     12.77729477      9.33320229    -13.75557631
  H     14.10026567     10.54277623    -13.47207569
  H     14.88252128      6.26848958     -9.09956213
  O     14.80958487      9.48697186    -17.92050315
  H     14.67967346     11.89019234    -13.98046885
  H     17.98313141      5.74529945    -10.94528568
  O     11.60867513      8.40276599    -11.35217350
  H     17.15459976      6.97775535    -12.36531664
  H     18.42385301      4.68293805     -9.91116568
  O     14.84340642      7.55621200     -7.78118074
  H     18.07242760      6.28570493    -13.42037087
  H     14.98948158      7.35083865    -15.01788345
  O     14.97813113      5.72777536     -9.89619936
  H     18.72054203      9.62875221    -11.72868330
  H     14.75754819      7.26638902    -13.48032263
  O     17.80579122      5.39460418    -10.05495226
  H     18.74942771      8.33364121    -12.56354824
  H     17.99388025      9.35810967     -9.48769309
  O     14.33530267      7.13200827    -14.34346099
  H     13.29386021      4.07957755    -14.22615147
  H     18.69113517     10.73904392     -9.43028419
  O     18.17415367     10.17055725     -9.99456804
  H     13.40476549      5.60521962    -14.08578348
  H     15.82883614      8.37160451    -16.83795746
  O     16.31706424      7.96095520    -16.11423833
  H     12.77794635      9.00130075     -9.97827379
  H     16.65706229      8.68567839    -15.56528680
          69
 Energy    -250.12965608928221     
  O     16.66419026      9.83129998    -11.80071888
  H     16.38965620     10.75149164    -11.70292087
  H     13.56517841     10.56514677     -8.87626251
  O     15.40944340      6.32763122     -6.64761223
  H     15.98590472      9.32435992    -12.26907098
  H     18.06145360      4.52180688    -12.64944891
  O     16.22399872     12.46895003    -11.02241528
  H     15.45749008      5.52918293     -6.12744969
  H     19.38786745      3.73277215    -12.54369979
  O     12.90595880      7.11663613     -7.93053088
  H     15.75008464      6.10537093     -7.53138831
  H     17.23246819      6.05812974     -9.52170855
  O     14.91838813      8.03408595    -12.95441153
  H     16.30068901     13.32237016    -11.44057915
  H     16.07373084      7.05766651     -9.32555412
  O     19.15927986      8.74858224    -11.56035186
  H     16.98858851     12.37606887    -10.42301586
  H     19.22174260      7.71773490    -13.10092981
  O     20.33499597     10.18919402     -9.42630361
  H     13.67490192      6.89126246     -7.39823858
  H     19.19903821      6.20081059    -13.36663362
  O     18.90259560      6.33671076    -10.15390322
  H     12.97795124      8.05928317     -8.14534886
  H     16.82930095     10.53519053     -6.72689008
  O     12.11578590      6.17949210    -10.34937183
  H     14.84180585      7.24783816    -12.39457854
  H     16.82297239     11.87969476     -5.96812981
  O     14.57072504     12.04402916     -8.69318626
  H     15.41494795      7.75590447    -13.73464411
  H     16.69258864      7.08273660    -15.88870863
  O     12.56668120      8.79828561    -11.50753835
  H     19.65425925      9.30021908    -10.94429423
  H     17.51729757      7.08741965    -14.57989868
  O     13.26619350      9.65153728     -8.98581795
  H     18.29657520      9.17215943    -11.68776381
  H     16.19633098      9.19463112    -10.18213571
  O     18.98215548      4.56954325    -12.33408850
  H     20.08102196      9.45391433     -8.83971568
  H     14.94201596      9.08674751     -9.25507414
  O     16.31037823      6.11915662     -9.23877040
  H     21.25693532     10.36814908     -9.26083220
  H     18.95807495     11.46203793     -9.30657062
  O     19.08005391      7.05788671    -13.79321455
  H     18.96286684      7.17232092    -10.64052411
  H     17.80624118     11.90346565     -8.36987728
  O     16.76699261     11.49720440     -6.84065033
  H     19.02008068      5.63917417    -10.81095737
  H     13.73588195      5.73945969    -11.10371732
  O     16.61699923      7.00124825    -14.94188149
  H     12.36702584      6.45718146     -9.44984460
  H     15.21446772      5.72757238    -10.63366446
  O     15.85584454      8.79388242     -9.37446415
  H     11.27466770      5.73698755    -10.27583557
  H     19.33184253      7.34626373     -8.57099026
  O     18.20425192     12.05958172     -9.23546240
  H     15.25557622     11.91334701     -8.02684934
  H     18.65552088      8.23957951     -7.49604118
  O     14.64774348      5.68647868    -11.41648021
  H     15.03541578     12.24717119     -9.51411090
  H     16.43964728      7.98225743     -6.53838915
  O     19.48656118      8.07746385     -7.95938788
  H     12.29462818      7.91750327    -11.21990456
  H     16.60411810      8.84038831     -7.80098731
  O     16.91994852      8.74163213     -6.88620456
  H     13.28616925      8.65742446    -12.13492276
  H     16.42505356      5.34218719    -13.96043494
  O     16.44429080      4.64740651    -13.29128896
  H     12.95066491      9.52375159     -9.89346295
  H     15.74896688      4.87376065    -12.65859415
          69
 Energy    -250.12867303469233     
  O     10.51153668     -6.09562283     -7.26951842
  H     10.99443137     -5.29552450     -7.50816040
  H     11.08767436     -7.08312161     -5.98523366
  O      6.60983409     -3.94593475     -0.01206019
  H      9.57203791     -5.91633958     -7.39728884
  H     10.15894073     -2.88053544     -0.67413535
  O     10.21430927     -4.12254227     -4.36214335
  H      6.72182696     -4.90162514      0.06492333
  H      8.89577217     -2.78838720     -1.55226757
  O     12.01152996     -2.50728248     -0.99810595
  H      7.49902334     -3.58079009     -0.10382533
  H      6.40750730     -6.74285217     -1.06157006
  O      5.40100262     -6.42336177     -2.45613098
  H      9.73147150     -4.95004960     -4.24288136
  H      6.61110450     -7.50177502      0.27121481
  O      9.87677123     -2.46411574     -6.58605631
  H     11.14363839     -4.35676042     -4.25847604
  H     13.11515290     -2.46502375     -4.84197042
  O      9.18812048     -6.64451823     -3.73891235
  H     12.54950404     -2.06401079     -0.34510012
  H     13.30775545     -3.98428068     -4.98806130
  O      6.79666817     -6.08221461     -4.89515585
  H     12.20655119     -2.08326548     -1.84807357
  H      7.48730266     -4.71154185     -7.43642386
  O      9.49219365     -5.93470951     -1.08437084
  H      5.77152103     -6.43271208     -3.34794543
  H      7.23583331     -5.91999307     -8.36766934
  O      6.21678598     -3.39094908     -4.33220693
  H      5.02663737     -5.54210440     -2.33286763
  H      8.07698593     -2.70882428     -6.89912836
  O     12.57913205     -1.21043739     -3.42568519
  H      9.96337755     -3.06997078     -5.83357895
  H      6.75660750     -2.98630580     -6.13253537
  O     11.39282581     -7.57520650     -5.19972290
  H     10.56598511     -2.73534265     -7.20285463
  H     12.22911483     -4.41251327     -1.15839081
  O      9.23848163     -3.16056004     -0.72402152
  H      9.35949554     -6.48015447     -2.80092114
  H     11.37209059     -5.69457723     -1.15903499
  O      6.95836935     -6.79010299     -0.25949551
  H      9.94424664     -7.10365478     -4.12488994
  H     12.67368524     -5.45244255     -3.06872956
  O     13.32495683     -3.15089637     -5.48379712
  H      7.61967861     -6.35407288     -4.45911716
  H     12.41080131     -6.20608397     -4.41049815
  O      7.68681973     -5.65594257     -7.56960243
  H      6.99365813     -6.05814640     -5.83833706
  H     10.12705312     -1.01968220     -5.39349106
  O      7.18130381     -3.06259487     -6.99595469
  H      8.69185432     -6.33552557     -0.72180338
  H      9.51438995     -0.92976048     -3.99344973
  O     12.25848403     -5.35880396     -1.34547159
  H      9.38948374     -4.97774485     -0.97833730
  H      7.65876255     -2.58709431     -3.57694169
  O     12.75124465     -5.38690823     -4.03240420
  H      6.41438330     -4.32119590     -4.51591079
  H      9.16924852     -2.91867023     -3.56435346
  O     10.21311234     -0.55756002     -4.54863195
  H      5.60916934     -3.38614593     -3.58213265
  H      3.94565526     -3.26762282     -1.60972370
  O      8.50480480     -2.31136653     -3.20111578
  H     11.73210728     -0.93841397     -3.82303251
  H      5.38996832     -3.68594994     -1.24719572
  O      4.73177483     -3.67356011     -1.96484823
  H     13.15466607     -0.45035730     -3.47325250
  H     12.64369726     -3.58503580     -8.55641117
  O     12.05101517     -3.71432794     -7.82107274
  H     11.69137396     -8.42780235     -5.50303705
  H     12.55354177     -3.49633211     -7.01511720
          69
 Energy    -250.12840300584975     
  O     -3.19030371     -1.17428227      0.12562239
  H     -2.39333418     -1.34143766     -0.39815683
  H      1.05939552     -0.42179453      2.30130919
  O     -1.23027244      2.88891586      0.83655113
  H     -3.75655384     -0.61765294     -0.42326522
  H     -3.06609575     -2.48604456      1.40899186
  O     -1.55782934      0.14989962      4.75552979
  H     -1.87545827      3.08288670      0.14246459
  H     -3.60416862     -3.72902263      2.14568762
  O      2.45497431     -3.30425268      1.59230959
  H     -1.55998285      2.10646325      1.30143682
  H      2.11309802     -1.03087780      4.04703124
  O     -0.88214796     -1.76781704     -1.41619253
  H     -0.81999085      0.75074056      4.91013995
  H      1.76146216      0.48787516      4.23825153
  O     -2.19650085     -0.05228402     -3.22345056
  H     -1.89702440      0.37578403      3.87821975
  H     -0.03353467     -2.34618767      1.23144759
  O     -4.38398549      0.55051213     -1.74432310
  H      2.31967365     -3.18097695      2.53951671
  H     -1.09216858     -3.46226967      1.28889046
  O     -0.65736712      2.36425251     -3.07915801
  H      1.57550313     -3.50011597      1.24170764
  H     -2.59902072      0.03577287      1.42388220
  O      0.94878306      2.48240929     -0.82072306
  H     -0.68749669     -2.48423880     -0.79832118
  H     -1.16040731      0.14395906      1.95786280
  O      3.70464750     -1.48144876     -0.00243588
  H     -0.09923683     -1.19734927     -1.38406955
  H      0.02081656      3.35111398      2.13549152
  O      1.36813311     -0.25122982     -0.97731350
  H     -1.72673347     -0.74701321     -2.74256528
  H      1.56130195      3.41399588      2.17215600
  O      0.39201727     -0.59636660      1.62709042
  H     -1.60498712      0.71006375     -3.25254160
  H      1.88234059     -3.36013050      5.06519019
  O     -2.82795769     -3.18407069      2.04002209
  H     -5.19031671      0.53395004     -2.25319489
  H      0.70272138     -2.74253733      4.27973980
  O      2.24421386     -0.14360221      3.68826301
  H     -3.65989320      0.31945424     -2.35553502
  H     -1.22252348     -1.59941586      4.51192052
  O     -0.25227181     -3.22519792      0.88013152
  H     -0.31455984      2.89257301     -3.79638907
  H     -1.65953111     -2.74864863      3.57804254
  O     -2.04372556      0.54307477      2.02638072
  H     -0.01844210      2.43822263     -2.35240701
  H      0.74003680      2.43086085      4.18092283
  O      0.77914618      3.38097304      2.73418733
  H      0.18570216      2.59082049     -0.23153364
  H      0.89447695      2.40394124      5.71941939
  O      1.67516690     -2.80309128      4.31978983
  H      1.71110776      2.83848864     -0.34764880
  H      3.92642128      0.05564517      1.07444741
  O     -1.00634221     -2.50499422      4.24023069
  H      3.29135568     -2.14351267      0.58032691
  H      3.38355658      0.51319769      2.44125979
  O      0.75478369      1.84511563      4.95957294
  H      4.41382917     -1.92666921     -0.45870142
  H     -2.23451128      2.87693250     -2.04100562
  O      3.84362426      0.82522051      1.64877380
  H      1.36834983      0.71521069     -0.97195558
  H     -3.49051351      2.25643531     -1.40761760
  O     -2.89731061      3.01505066     -1.35344773
  H      2.25042934     -0.58225848     -0.76729658
  H      3.73190240      3.87324243      0.90284743
  O      2.99983671      3.26297725      0.89377974
  H      0.77286693     -0.39123809      0.76443623
  H      3.35158674      2.39476839      1.16389374
          69
 Energy    -250.12756502688404     
  O     11.85567648      9.93218287    -13.07895680
  H     12.21220657     10.81544338    -13.22489118
  H     21.01729601      9.12539966    -15.34683205
  O     16.69884726      6.96021466    -13.83362730
  H     12.05177371      9.43312670    -13.88471388
  H     13.66442317     11.16525139    -16.80665635
  O     17.90646563     10.67071031    -11.84917626
  H     16.19743261      7.74897921    -14.09687476
  H     14.94860351     11.76359700    -16.21745898
  O     16.65526690     11.11213145    -16.05131161
  H     16.36789085      6.70638155    -12.96219135
  H     15.72395413      9.80896976    -15.11903247
  O     12.86118878      5.76737791    -14.92852058
  H     17.89733383     10.39832701    -10.92445396
  H     14.42183996      8.98976514    -14.80236118
  O     14.83222729      9.10561419    -10.36684457
  H     16.98578019     10.88021937    -12.06730414
  H     11.36790619      8.35690429    -10.41196128
  O     15.82461667      6.57213551    -11.21041286
  H     17.13358439     10.58222757    -16.69908919
  H     12.03468022      8.96163779    -11.67155344
  O     15.21262969     10.93656669    -12.40143323
  H     17.32167125     11.45129004    -15.43570846
  H     18.82723065      7.42395895    -11.30197296
  O     15.65901599      8.15111748    -17.82887937
  H     12.26612481      5.03336418    -15.05522356
  H     18.21378119      7.89906074     -9.97392356
  O     18.28715900      9.32609712    -17.52816253
  H     13.01352387      5.84098909    -13.96879966
  H     12.81645910      6.81381773    -11.81294666
  O     15.45095307      5.97074223    -16.15097126
  H     13.90196294      8.84798609    -10.38399034
  H     14.15360853      6.05755285    -11.89141381
  O     20.07490122      9.27312264    -15.36448656
  H     14.92963410      9.78871193    -11.04712762
  H     18.58150682     11.47548974    -13.43773562
  O     13.98533689     11.85956348    -16.22033660
  H     16.73714662      6.55120668    -10.88919941
  H     19.33833938     10.99600030    -14.69181835
  O     15.30811773      9.20786433    -14.48684528
  H     15.47329299      7.43157326    -10.94126455
  H     18.56619962      9.13983792    -12.66748350
  O     12.18337850      8.37718950    -10.90527265
  H     14.56574277     11.58753203    -12.69406792
  H     18.20064629      7.80007073    -13.38035470
  O     18.44653225      7.10682500    -10.47438377
  H     15.24062806     10.26696820    -13.10426822
  H     16.43346089      9.36105652     -9.55204485
  O     13.26807087      6.09781428    -12.27512193
  H     16.57359764      8.44257964    -17.77184459
  H     17.35529645      9.80066595     -8.39315206
  O     18.75487065     11.68982129    -14.36359555
  H     15.59375387      7.34465283    -17.29426785
  H     14.20441625      9.06292870    -17.87445977
  O     18.94150539      8.34590955    -13.07379260
  H     18.91451149      9.23862593    -16.79391279
  H     12.97549390      9.51561679    -18.69903747
  O     17.36029886      9.51446189     -9.30323845
  H     18.80975174      9.47638983    -18.31318162
  H     12.83857812     13.29237312    -13.65748447
  O     13.35826386      9.54606968    -17.82678914
  H     14.57094546      5.79782103    -15.79664153
  H     13.43430915     12.22765046    -14.60485662
  O     13.17995282     12.40261954    -13.68078428
  H     16.00398497      6.15240271    -15.37933092
  H     12.70584473      7.56316937    -15.28685927
  O     12.71649034      8.52892118    -15.31640446
  H     19.71872512      8.87103434    -14.55307194
  H     12.79863169      8.81005151    -16.23673990
          69
 Energy    -250.12739057306874     
  O     14.05902888      3.89957924    -16.11216518
  H     14.82809156      3.49812946    -16.53067395
  H     19.99758371      5.95671840    -16.40492782
  O     17.69258468      7.01052322    -11.96808100
  H     13.92552673      4.74821426    -16.55817532
  H     17.36559723      7.54042010    -16.81837914
  O     19.74848220      6.12888987    -18.27394567
  H     18.47179930      7.31112752    -12.44788750
  H     18.56316291      7.49602948    -17.80851274
  O     17.47816009      4.86075202    -19.03075624
  H     16.94876387      7.47914664    -12.38222444
  H     16.18218239      7.19896877    -14.81302622
  O     13.24513908      7.01582707    -10.31896015
  H     18.98476807      5.60055373    -18.56963459
  H     15.54854452      6.53425924    -16.07163594
  O     14.14143205      4.59837281    -13.46775943
  H     20.41550038      6.05134673    -18.95043917
  H     13.05840718      8.17944536    -14.76377169
  O     15.68385441      8.19153969    -13.31676194
  H     16.78752837      5.51299061    -19.19312044
  H     13.92776204      9.26432346    -15.44371957
  O     17.66087480      4.30559869    -15.05141740
  H     17.09846742      4.17851659    -18.46241336
  H     14.86641747      3.77440128    -10.18676865
  O     13.29315826      4.17687052    -10.83360180
  H     14.19554112      6.93484019    -10.12315628
  H     15.84959276      2.98150280     -9.29072869
  O     18.03234036      9.80558359    -15.40178368
  H     12.85704751      7.49779247     -9.59351947
  H     13.68905682      7.25930441    -16.71846764
  O     16.57867893      2.94408246    -17.15194852
  H     14.07351469      4.27024945    -14.37617160
  H     14.50264781      6.76845707    -17.96783937
  O     19.94155252      5.89809939    -15.44396516
  H     15.06818122      4.54905348    -13.20365494
  H     20.52199937      8.32121201    -13.52501185
  O     17.79667364      8.02058566    -17.54507091
  H     14.78776771      7.84755618    -13.19855188
  H     19.78107933      7.27082106    -14.37998066
  O     16.37902187      6.66894588    -15.59467622
  H     15.60704112      9.05636895    -13.73770477
  H     17.16869349      5.28782218    -12.27565565
  O     13.25755119      8.59325779    -15.61473005
  H     17.45333939      4.14466520    -14.12126050
  H     16.56706693      4.03162188    -11.59423795
  O     15.79998162      3.69721503     -9.91777559
  H     17.21364579      5.13704042    -15.28050809
  H     15.95246425      5.60661741     -9.70194947
  O     14.07346210      6.48206642    -17.15336480
  H     13.09997717      5.09006589    -10.58948320
  H     16.60585338      6.81287385    -10.40124415
  O     19.65073643      8.02534036    -13.77837799
  H     13.43676206      4.19068930    -11.79107271
  H     16.48621932      7.63452862    -18.73708460
  O     16.81142394      4.40445068    -12.44943336
  H     18.04826486      9.33665638    -16.24695913
  H     15.67692797      7.76581928    -20.04823750
  O     15.89328100      6.56552565     -9.79911651
  H     18.56020732      9.27226900    -14.79556626
  H     13.41582357      6.24520208    -13.32771735
  O     15.79282373      7.21799275    -19.27581388
  H     17.02089557      3.33505849    -16.37824560
  H     13.03006847      7.20197230    -12.17308878
  O     13.15124801      7.15727711    -13.13020805
  H     16.78962360      2.01352727    -17.14974387
  H     15.33972745     11.38847791    -14.77111463
  O     15.44198180     10.44968234    -14.90368404
  H     19.26841317      5.22879225    -15.26267301
  H     16.37919778     10.30006494    -15.12383334
          69
 Energy    -250.12590442807374     
  O      3.88307980      0.82232955      6.24749804
  H      4.50279143      1.03871810      5.52809987
  H      2.31461918     -0.39335184      3.32854163
  O      1.86644062      4.30364678     -0.03611974
  H      4.39022649      0.37362145      6.91881884
  H      2.90759615      3.96423176      1.34632028
  O     -0.98107211      4.38957570      0.14574559
  H      0.91396938      4.44655475      0.01139078
  H      3.83748800      2.80639558      1.85059434
  O     -1.59241433     -2.24171791      1.51627115
  H      1.99118342      3.57955926     -0.66547412
  H      2.85950212     -1.58085145      0.88824960
  O      4.29540265      0.23432014     -1.11097151
  H     -1.54792495      5.10661867     -0.12453772
  H      1.92254708     -1.79365702     -0.30700129
  O      0.09699379     -1.25646041     -0.43849357
  H     -1.29579023      3.59108571     -0.31831565
  H     -3.28599210      1.73194082      4.07781000
  O      1.44046439      3.03755068      3.97095006
  H     -1.27021245     -1.81408052      2.33039829
  H     -2.06253958      1.87937217      3.14053736
  O     -0.79994518      2.83841654      2.45355695
  H     -2.03186930     -3.04313434      1.78670084
  H      0.18917794      1.58770685      1.41125256
  O      5.53456996      1.63894615      4.23619961
  H      3.82084236     -0.55331170     -0.78790741
  H      1.22342086      1.49563064      0.23807305
  O      4.97088159      4.43858121      4.21235320
  H      4.96688131     -0.07496537     -1.71304018
  H     -1.28424841      1.58144096     -1.62553439
  O      3.02292419      3.58877910      6.15143178
  H      0.28917358     -0.45143273      0.06954965
  H     -2.22810295      1.45859896     -0.40638489
  O      2.59157713     -0.49554186      2.41128138
  H     -0.48882628     -1.77483514      0.12670818
  H      3.95058113      0.55529547      1.94573487
  O      3.41827059      3.64041636      2.10272769
  H      1.83713183      3.31837794      4.80734118
  H      4.69039938      0.94021494      0.64951904
  O      2.85413323     -1.80372464     -0.05325817
  H      2.10022729      3.21027489      3.28503993
  H      2.84467068      1.36554628     -1.40452489
  O     -2.72613696      1.24967597      3.47563895
  H     -0.86012478      3.50634811      1.75969903
  H      1.39123981      1.44509545     -1.96710712
  O      0.81599892      1.00811546      0.96527049
  H     -0.04691847      3.03671729      3.03056127
  H     -2.53436417     -0.62064368      0.91644464
  O     -1.80329992      2.09606142     -1.00029035
  H      5.50555547      2.60352742      4.27529786
  H     -2.99583787      0.61395093      1.69074160
  O      4.60713469      1.16967702      1.58089690
  H      5.38753637      1.41067160      3.31006823
  H     -0.29868598      0.00091768     -3.42422742
  O      2.04294844      1.90436739     -1.42253332
  H      4.42495694      4.27566629      3.42344499
  H     -0.05562855     -0.29349832     -1.92478045
  O     -2.88897083      0.26714365      0.79645942
  H      5.45623892      5.24276469      4.04839935
  H     -1.52558435     -0.17780660      3.79098376
  O     -0.05378210      0.40903334     -2.59785492
  H      3.73544710      3.97992735      5.62902804
  H     -0.08308006     -0.55324166      4.20299374
  O     -0.87077162     -0.88731624      3.75852877
  H      3.30873037      2.68884183      6.35248998
  H      1.39588627      1.24128302      4.49009223
  O      1.49744037      0.33832136      4.82365897
  H      1.94683073      0.01745207      1.89722244
  H      2.24627821      0.37345738      5.43223692
          69
 Energy    -250.12576276588152     
  O     11.79890962      3.36733003    -12.47773025
  H     11.39764878      3.24652778    -11.60895092
  H     17.96244683      5.91611979    -13.71521150
  O     17.66224770      3.76504972    -10.62489113
  H     12.38713017      4.12637917    -12.36416972
  H     12.12826263      8.34915604    -14.89563002
  O     14.52792614      7.95553487    -10.89987263
  H     16.98810450      3.08547516    -10.73706904
  H     13.00480720      9.17297155    -13.93291020
  O     17.73175942      5.75942274     -8.79507358
  H     17.79304130      4.18373902    -11.48556255
  H     13.80702683      4.93853637    -11.02854364
  O     13.94349967      3.79141936     -9.63520167
  H     14.05820364      8.08238819    -10.06722332
  H     14.25590522      5.20737264    -12.51363015
  O     15.54606376      1.83647602    -10.83924895
  H     14.25812663      7.08431015    -11.22289109
  H     14.65123572      2.96187974    -13.58990811
  O     14.82264436      9.09465667    -13.41891636
  H     18.49173765      5.66016488     -8.22767030
  H     13.33315802      2.38520360    -13.03170587
  O     14.99237143      7.04287610    -15.29249359
  H     17.72482331      4.98981511     -9.39293498
  H     13.84208437      7.07911015     -8.20160357
  O     11.15063742      3.50758772     -9.70144927
  H     14.45290720      3.03859828     -9.96157789
  H     13.09518348      8.33562522     -7.68533102
  O     17.58512305      9.16557739    -13.29185395
  H     13.01323321      3.53727951     -9.57222848
  H     10.94218816      6.59782940    -10.46736638
  O     17.77542480      7.02535447    -15.25413231
  H     15.72535266      0.91533721    -10.67006854
  H     11.71052699      6.74738834     -9.13837709
  O     17.76167025      5.47316213    -12.88172703
  H     15.11231580      1.88458882    -11.70999714
  H     17.52280665      7.01024523    -10.18336304
  O     12.09199196      8.91164293    -14.11354466
  H     15.76418656      9.31703736    -13.43622884
  H     16.33967075      7.69440470    -10.90630393
  O     13.65097411      5.48640217    -11.81158392
  H     14.63609419      8.80949585    -12.51360381
  H     15.93493226      5.83317087     -8.19746699
  O     14.26238061      2.17265308    -13.18795781
  H     14.12893096      6.95554582    -15.71650007
  H     14.64509634      5.03600033     -8.48586522
  O     13.18555650      7.75976198     -8.43977770
  H     14.91084579      7.75087830    -14.63551885
  H     11.49837832      7.82242184    -12.79417141
  O     11.05056060      6.20753295     -9.58874703
  H     11.05793718      4.47602760     -9.62840318
  H     12.12812063      6.58153329    -12.10989685
  O     17.27612507      7.46814170    -10.99617689
  H     10.48157554      3.12511602     -9.14072942
  H     15.12218122      5.42894623    -14.44757845
  O     14.98949856      5.80510383     -8.01094193
  H     17.65448642      8.69067046    -12.45297599
  H     16.18371997      4.84610832    -13.48584102
  O     11.29752212      7.06208511    -12.22850872
  H     17.82155260      8.52880745    -13.97628386
  H     10.85380544      5.93887545    -13.67281216
  O     15.29852878      4.69380234    -13.84571301
  H     16.81485883      7.03168874    -15.39883482
  H     11.08466153      4.45430709    -13.95648857
  O     10.95724475      5.30241051    -14.39448923
  H     18.18241559      7.03871889    -16.11694303
  H     11.85883708      6.22161127    -15.58197808
  O     12.35437960      6.83155188    -16.15681992
  H     17.59837373      6.17608511    -12.23411421
  H     11.89259805      6.85411365    -16.99095648
          69
 Energy    -250.12533899696189     
  O     11.87407639      9.53021829    -14.02629933
  H     12.18804241     10.44242869    -14.01731016
  H     19.35555495      9.60448403    -15.33274715
  O     17.21598827      6.90142328    -13.29946712
  H     11.88796990      9.21139791    -13.11577940
  H     15.44316741     11.92530405    -16.39772073
  O     17.62568339     11.18855122    -11.68037101
  H     16.68266974      6.74028621    -12.50908331
  H     14.47058192     10.87648086    -17.00595669
  O     17.27000346     12.40171943    -16.24864880
  H     17.92926427      7.49192132    -13.02129134
  H     14.93868152      8.51716230    -14.92742678
  O     13.66308563      5.39018452    -14.87079198
  H     16.76094788     11.19267359    -12.11985703
  H     16.19932342      8.13924843    -14.08747225
  O     14.48578789      9.38665193    -10.64837198
  H     17.44717132     11.01266666    -10.74955288
  H     11.22462237      8.09029334    -10.94624153
  O     15.77279438      6.85733270    -10.92370915
  H     17.60648493     13.12326681    -16.77431749
  H     12.43245092      7.48598566    -11.70128857
  O     15.15719552     10.92618384    -12.83882447
  H     17.77270999     12.41000184    -15.41471714
  H     18.62424110      8.05038765    -10.61994488
  O     16.45708988      7.69365553    -17.73237694
  H     13.49083892      6.28635555    -15.21051945
  H     17.76441446      8.60575810     -9.47269717
  O     17.79833270      9.64458519    -16.20028024
  H     13.05252694      4.80593415    -15.31410535
  H     14.21329301      6.13060973    -11.69550911
  O     16.38118231      5.73581737    -15.74608543
  H     14.68906866      9.94334424    -11.41480860
  H     13.49541417      5.77187985    -13.02581524
  O     20.14508361      9.72886233    -14.77817723
  H     13.57971206      9.07894803    -10.77366911
  H     19.43591730     11.46660553    -14.23511603
  O     14.51488750     11.66850740    -16.45717384
  H     15.31467627      7.70613344    -10.85859370
  H     18.48150931     11.99638717    -13.15049269
  O     15.73349135      8.87297898    -14.51236186
  H     16.60626749      6.98140382    -10.44683129
  H     19.55617877      9.05733867    -13.12768963
  O     12.01396753      8.32361052    -11.42767356
  H     15.36187080     10.21761750    -13.47007360
  H     18.52429113      9.63096465    -12.13600530
  O     18.13668505      7.78935664     -9.82810906
  H     14.45035479     11.45418003    -13.22595522
  H     16.46506316     10.56153613     -8.31580959
  O     13.34951306      6.08851144    -12.12657160
  H     16.43474448      6.94754532    -17.11457075
  H     15.84788372      9.92205010     -9.57955068
  O     18.83361908     12.19166299    -14.02853124
  H     17.09844355      8.31666019    -17.36905428
  H     15.05692643      8.67392700    -17.95470992
  O     19.01005979      8.82645165    -12.36676016
  H     17.07042125      9.36774145    -15.62218193
  H     13.95514485      9.23631883    -18.88503279
  O     16.68326980     10.21214265     -9.17631779
  H     17.65048115     10.58058361    -16.38421399
  H     12.63289639     12.96906470    -14.29828230
  O     14.27287726      9.25280235    -17.98627042
  H     16.82164959      6.00711089    -14.93030784
  H     13.53792793     11.98264262    -15.07730855
  O     13.06010676     12.11938527    -14.23788910
  H     15.49469952      5.47018234    -15.47477159
  H     12.74508558      8.51696976    -15.15037552
  O     13.33491273      7.96145408    -15.68428101
  H     20.89585335      9.46376081    -15.30299893
  H     13.50151845      8.40078262    -16.52638779
          69
 Energy    -250.12480816289550     
  O     15.26383515     11.04305974    -10.90995172
  H     16.14431415     10.80801233    -10.59584560
  H     14.40209191      7.77200602    -16.37141613
  O     14.41579860      6.81270552    -14.87215741
  H     15.36141722     11.16387769    -11.86612823
  H     17.82802311      5.45986193    -15.37298751
  O     16.29628036      5.01103089    -11.29549288
  H     15.05919408      7.36791340    -14.40157316
  H     18.08610569      4.08286850    -16.02798198
  O     20.14333611      7.32308526    -13.30292083
  H     14.59787585      5.90783252    -14.59235869
  H     19.49862457      9.08925106    -12.94429422
  O     13.41967387     10.27822061    -15.07288679
  H     15.59974370      4.63711590    -10.74207627
  H     18.82291187     10.35187360    -13.54319373
  O     12.52683874      6.46116541     -9.88508748
  H     16.33613641      5.95598157    -11.08146516
  H     16.35981390      8.02905664    -12.63162995
  O     12.50211656      8.16982177    -13.35724851
  H     21.07694129      7.14906875    -13.21421694
  H     16.07281663      9.22289968    -13.58377041
  O     16.31665733      7.70010427    -10.84461399
  H     19.68131536      6.53919926    -12.95546604
  H     13.17827863      3.89955308    -11.61123130
  O     17.19134642      9.29295272    -16.89647637
  H     13.68154109      9.75757934    -15.84121537
  H     13.58103566      3.99737733    -13.09050049
  O     11.01688096      6.01822166    -12.29206013
  H     12.93913944      9.67681556    -14.48875149
  H     18.50407295      4.69879545    -13.47756289
  O     18.15681262      7.22373481    -15.26827173
  H     11.88080672      6.34726293    -10.59267896
  H     18.01394151      4.97123069    -12.04719020
  O     14.45147432      8.45224776    -17.06452100
  H     12.95356768      7.31067448    -10.06268418
  H     16.05124147      4.27750397    -14.39346507
  O     17.70542120      4.50205312    -15.26049818
  H     13.11376949      7.64786722    -13.89591748
  H     15.62442624      4.62525501    -12.94996930
  O     19.15432482      9.96371045    -12.72529746
  H     11.85818402      7.53655722    -13.01615147
  H     13.49973925      5.02337365     -9.81195801
  O     16.27659691      8.27870631    -13.55991846
  H     16.90052853      8.40914034    -10.54742408
  H     13.84713653      3.69498094     -9.09823827
  O     12.81552141      3.98004004    -12.50275605
  H     15.40618913      8.02876365    -10.78751625
  H     17.75359705     10.54522414    -15.81094343
  O     18.78159539      5.05922718    -12.62720517
  H     16.26292471      9.07032441    -17.03474464
  H     18.45478920     11.90421866    -15.58360228
  O     15.27976582      4.39782113    -13.82710510
  H     17.60118162      8.50661034    -16.51090486
  H     13.34973695      8.65918783    -11.75181382
  O     13.99879593      4.19040372     -9.89836146
  H     11.62061216      5.26878477    -12.44264797
  H     14.15575797      9.63629323    -10.83038068
  O     18.04145476     11.17563077    -15.12754320
  H     10.13081418      5.68282419    -12.39926281
  H     18.34920426     10.01742422    -11.17712201
  O     13.76663313      8.75049003    -10.88505325
  H     17.48050888      7.60013702    -14.68179603
  H     18.49645601     10.25327294     -9.65593166
  O     17.88351496      9.95875267    -10.32404031
  H     18.98299377      7.28768116    -14.77294989
  H     16.39623402     11.23848197    -14.21421085
  O     15.64721605     10.99222756    -13.65975389
  H     13.95701151      8.12123525    -17.81044076
  H     14.85960383     10.88207549    -14.21464997
          69
 Energy    -250.12346851107367     
  O     19.18947483      7.87442254    -11.62614763
  H     19.10314761      7.36483183    -12.44484273
  H     12.59057569      7.55810800    -11.53334811
  O     15.36356298      8.02702866    -16.95502729
  H     18.56686999      7.48147281    -11.00073791
  H     16.46624990      8.73547964    -13.00820346
  O     13.32807782      8.98187899    -12.32745816
  H     14.96717528      7.20110377    -16.65255085
  H     16.34038685      7.84134558    -11.72322793
  O     13.67969671     10.08920133    -16.47615133
  H     16.28380786      8.02880522    -16.66468007
  H     17.81655908      5.95906148    -13.90859871
  O     17.39270239     10.01405341    -13.98524969
  H     14.24689228      8.67649054    -12.39195457
  H     18.56073722      7.00366570    -14.73795548
  O     18.04053691      8.33435043    -16.02230098
  H     13.36540013      9.92655104    -12.14062522
  H     14.68525209     11.46764186    -11.35904704
  O     13.70595655      6.92097461     -8.77303707
  H     14.32088920      9.38887661    -16.69779611
  H     13.48809836     12.43872082    -11.50636288
  O     12.22899438      4.04326442    -14.26462121
  H     13.41562142     10.48973050    -17.30031921
  H     15.86983397     10.26277525     -9.75334572
  O     18.64575992     10.50696164    -11.53210399
  H     17.87641379     10.34062166    -13.21779202
  H     16.93225240     10.80827582    -10.74442120
  O     10.79040932      6.23499995    -13.57862608
  H     16.64614295     10.60797878    -14.16476569
  H     12.68999319      8.51637638    -13.94166878
  O     13.85997509      5.97949440    -15.64149338
  H     18.69704120      8.73195715    -16.58943479
  H     12.67007873      8.90261072    -15.43544985
  O     12.26563130      6.71286118    -11.18560742
  H     17.85432548      8.97796621    -15.31582941
  H     14.64824830     11.60869580    -13.65784018
  O     15.89619683      8.11581732    -12.53578788
  H     13.05127475      6.92093318     -9.48353096
  H     14.58665941     11.06312431    -15.11347424
  O     18.65453561      6.43507037    -13.96416334
  H     14.23062296      6.12439137     -8.91891225
  H     15.64412917      9.08156887     -7.57028704
  O     13.90581480     11.68045189    -11.90493738
  H     11.62229097      4.77472103    -14.04776988
  H     14.81069797      8.25894398     -8.57842972
  O     16.03628251     10.94560525    -10.41477533
  H     11.68900547      3.31604457    -14.56157693
  H     15.92795892      6.57025769    -13.39102662
  O     12.38692369      8.22212524    -14.81335263
  H     18.90941783      9.56786109    -11.54674679
  H     15.29869899      5.74237501    -14.53512049
  O     15.16629639     11.47431633    -14.46053632
  H     19.42213148     11.00714004    -11.29582576
  H     16.50303362      6.24590404    -10.00957131
  O     15.55182030      8.88600425     -8.49952463
  H     11.14634674      6.96598122    -14.10159464
  H     16.58530478      7.70836985     -9.50033346
  O     15.91434917      5.68686035    -13.79189629
  H     11.06504468      6.40990702    -12.66887407
  H     14.85205046      4.61917535    -10.55817762
  O     16.96076154      7.08567988    -10.13651001
  H     13.34708694      5.21391740    -15.35878431
  H     15.60255210      3.91025289     -9.40973889
  O     15.34869247      4.76986063     -9.73662765
  H     13.35369142      6.75494977    -15.35474478
  H     14.74432765      4.95151702    -12.66481372
  O     14.00551497      4.62327310    -12.12914605
  H     12.86992234      6.02947419    -11.50573807
  H     13.37521559      4.25281333    -12.75800558
          69
 Energy    -250.12318048404111     
  O     -6.71730104     -2.99099990      6.19194209
  H     -6.09823917     -2.31030981      6.47625809
  H     -6.78449372     -1.86479604      0.09753526
  O     -8.66086631     -3.05995172      3.15856346
  H     -7.60778600     -2.65116962      6.36455865
  H     -4.03429201      1.16924062      2.08115069
  O     -6.37055059     -4.44648491      3.97457373
  H     -8.26098155     -2.21638259      3.42035292
  H     -3.02348159      2.22069994      2.61409110
  O     -5.12784887      0.90207505      0.63921127
  H     -8.00310902     -3.72994528      3.37890395
  H     -6.45708338     -1.10920776      3.15212465
  O     -6.82924472      0.80853559      5.76229015
  H     -6.46861433     -3.95562122      4.81415470
  H     -7.74347046     -0.26420667      2.79875441
  O     -6.15968607      4.85498126      0.39431405
  H     -6.10154622     -5.33158239      4.20161695
  H     -4.25317355     -0.89927446      7.55437804
  O     -8.99233182      0.47705840      1.65786362
  H     -5.37776661      0.01629023      0.35414770
  H     -4.35926819     -0.86558558      6.00969890
  O     -9.27666167     -1.94706552      6.55276218
  H     -5.92772497      1.36598544      0.92399131
  H     -1.65115208      4.40516515      2.16992672
  O     -3.59213108     -0.83602669      4.46976627
  H     -6.16911108      0.32965645      6.27791639
  H     -3.18916216      4.39781467      2.35108953
  O     -4.02441077      3.32500357     -0.32314340
  H     -7.00121912      0.26429808      4.97472517
  H    -10.90710613     -0.60362514      3.99534690
  O    -11.05342088     -2.49219447      4.35135749
  H     -5.39838926      4.36247346      0.03776201
  H    -10.28831915      0.60842453      4.70695751
  O     -5.82392666     -1.76958948     -0.03659239
  H     -6.43325037      5.47032889     -0.28015598
  H     -5.26714862     -2.26363601      1.68544811
  O     -3.55687764      1.45920139      2.87246350
  H     -8.52188772      1.31911298      1.60326349
  H     -5.49179273     -3.12072117      2.98188683
  O     -7.23204715     -0.66214398      3.51596605
  H     -9.63919928      0.52324659      2.37943405
  H     -8.75113707     -1.08488354      0.75971242
  O     -4.87819796     -0.87229820      6.83551979
  H     -9.95579057     -2.21835708      5.92432713
  H     -8.60340845     -2.51055657      1.31485959
  O     -2.43546509      3.89226556      1.99633896
  H     -9.37069973     -0.99005433      6.62536890
  H     -9.67854690      1.58891955      7.06055017
  O    -10.62730088      0.30912916      3.85456790
  H     -3.44669683     -0.01063071      3.98943991
  H     -8.51685228      0.97747977      6.24330269
  O     -5.11713477     -2.29872408      2.63799137
  H     -4.00908929     -1.43191479      3.83308248
  H     -5.27823800      5.16626159      2.09276108
  O     -8.44723212     -1.97550248      0.52728922
  H     -4.32195459      2.42099732     -0.15280014
  H     -5.14466885      4.40114920      3.42606609
  O     -9.47325087      0.92266826      6.40989179
  H     -3.35000335      3.51150987      0.34222984
  H     -4.97770887      2.26001034      3.72350681
  O     -4.72329456      5.07731686      2.87752778
  H    -10.26749919     -2.79826334      3.86717219
  H     -6.14657720      2.18355087      4.73776449
  O     -5.76433669      2.72847256      4.03932162
  H    -11.75762960     -3.10172261      4.14688573
  H     -6.98982456      3.37874266      1.18072110
  O     -7.18498127      2.55695752      1.64722797
  H     -5.62024123     -2.16997945     -0.87745248
  H     -6.78629545      2.63203341      2.52639317
          69
 Energy    -250.12283657781603     
  O     14.41842045      8.34438002    -15.95580404
  H     15.09412708      8.94442079    -15.61593458
  H     17.23866950      1.92174315    -15.38648036
  O     14.29551100      2.64171951    -15.45780843
  H     14.06182787      7.86798107    -15.19622707
  H     19.93498653      4.59930890    -16.50208726
  O     18.26925336      6.34665990    -11.88230015
  H     15.03426248      2.04456657    -15.62248453
  H     19.50173572      3.98809219    -15.15484621
  O     19.23668828      4.63177348    -18.30599575
  H     14.34508314      3.31299701    -16.15212135
  H     17.07330182      7.10266521    -17.98524946
  O     17.06186006      3.05624029    -18.12545384
  H     19.05504697      6.43089183    -12.43332482
  H     18.38972376      6.24002571    -17.97665331
  O     13.73034055      7.29504746    -10.72002468
  H     17.58208432      6.84859313    -12.35250088
  H     17.34092204      6.13553218    -16.06801718
  O     14.44099689      4.21954647    -13.21773017
  H     18.47907130      4.01946931    -18.27337652
  H     16.71799974      6.33327913    -14.66444125
  O     16.39892423      7.60934082    -13.34141179
  H     19.76536232      4.37604668    -19.05700311
  H     14.83152654      3.94628243     -9.80341645
  O     17.90816738      3.27323498    -14.47631545
  H     16.29508166      3.61344266    -17.93520217
  H     15.63181108      3.21249840     -8.69928077
  O     13.37789948      4.43653421    -10.64210154
  H     17.00384664      2.31817037    -17.50685310
  H     15.56938058      5.01982316    -16.44146314
  O     18.90961081      8.66214887    -15.57633652
  H     13.38089056      7.96086665    -10.13344644
  H     14.89928307      5.52921933    -17.72281271
  O     16.78899014      1.26622457    -15.94837898
  H     14.64333236      7.12190329    -10.42969240
  H     20.25291094      5.97629107    -14.49796730
  O     20.14506482      4.58449440    -15.56142803
  H     14.33139617      3.60823258    -13.96008218
  H     21.19906742      6.91226577    -13.71855262
  O     17.94667237      7.00414245    -17.58457441
  H     15.33504181      4.10627541    -12.87306748
  H     16.64952080      3.69848366    -11.08044692
  O     16.88358535      5.67726534    -15.35094259
  H     15.45628053      7.39549511    -13.33430039
  H     17.48860680      4.70384351    -11.91163641
  O     15.72609877      3.79450154     -9.44780872
  H     16.49739404      8.46721602    -13.77143455
  H     16.14203267      5.66739253     -9.57509375
  O     15.01482914      4.73818124    -17.18564650
  H     17.54171951      4.09375627    -14.84350544
  H     17.03919990      6.61451504    -10.39011577
  O     20.27703483      6.74146189    -13.89699833
  H     17.68809465      3.29214994    -13.53533374
  H     13.57227484      7.12489517    -12.59859880
  O     17.00357079      3.86653136    -11.96140338
  H     13.31165120      5.39754388    -10.59040170
  H     13.92113263      5.94004051    -13.52880762
  O     16.23968035      6.58768237     -9.85145210
  H     13.58754954      4.24516228    -11.56798755
  H     16.73283230     10.82712868    -14.76521611
  O     13.75884422      6.89604890    -13.51903013
  H     18.68557479      8.14558024    -16.36380427
  H     17.47494409      9.53321217    -15.18298016
  O     16.61114097      9.89283691    -14.90809318
  H     19.37497179      8.06485053    -14.97947108
  H     14.75766752      7.76099805    -19.03543576
  O     15.21619808      7.31393599    -18.32937592
  H     17.10350547      0.40779874    -15.67807320
  H     14.88881648      7.69816821    -17.49499888
          69
 Energy    -250.12273191634944     
  O     10.31000045     10.97207757     -9.51253475
  H     10.65955269     11.51254961    -10.24298030
  H     13.91295206     12.14314763    -15.07876680
  O     12.77352015      8.82467979    -17.12281495
  H      9.52892093     11.41393185     -9.19062233
  H     16.51426056      8.72033910    -12.08373846
  O     10.76636132      8.62990505    -11.10535224
  H     11.84732184      8.60434801    -16.95658004
  H     16.85133187     10.05060684    -11.34591307
  O     13.65137827      8.28046211    -14.58589758
  H     12.77994292      9.76446835    -17.33953213
  H     15.46004423      6.45040783    -12.61918123
  O     14.46980063     12.83788604     -8.67823169
  H     11.68844029      8.47807641    -10.85432687
  H     14.67793409      7.61615170    -13.26043698
  O     12.52512832     11.68879711    -17.61263616
  H     10.45592658      9.33544262    -10.52620924
  H     13.78231033     13.88974499    -10.14398709
  O     11.16768136      9.19587575    -13.74107263
  H     13.48854367      8.32262116    -15.54019413
  H     12.58999531     13.73274285    -11.10334495
  O     13.89326583     11.01118537    -11.98100417
  H     12.81833350      8.55523071    -14.17417443
  H     13.58939731      9.48159318    -11.09364363
  O     12.96497243     10.58013123     -8.56451565
  H     13.92381539     12.03569875     -8.59097974
  H     14.09582040      8.03692118    -11.05246915
  O     16.87746475     13.25864292    -12.61634134
  H     14.62390766     13.16104528     -7.79442493
  H     18.41560497     10.75521869    -14.62032020
  O     11.49090637     12.30058167    -11.57834966
  H     12.81333970     12.15423664    -18.39463461
  H     17.53123770     10.35753830    -13.41095770
  O     13.34899020     12.91429805    -15.25542902
  H     12.82830055     12.21239159    -16.85382705
  H     11.73688503     12.35224478    -14.54908063
  O     17.17081718      9.42196624    -12.00824511
  H     10.94337225      8.97466258    -12.82547455
  H     10.37259823     11.79619411    -15.02463347
  O     15.20061697      7.35872313    -12.48303157
  H     11.10888127     10.15441551    -13.84362567
  H     15.75202390     12.07557592     -9.80705977
  O     13.37276563     14.27269096    -10.92848516
  H     14.20124968     10.94702943    -12.89240122
  H     16.49728810     12.28995704    -11.16724065
  O     13.52202540      8.65538508    -10.58879407
  H     14.65836426     11.27603876    -11.45154321
  H     15.81638434     10.77625997    -14.56085939
  O     17.58351942     10.93772764    -14.19356756
  H     13.24218550      9.81034657     -9.07686251
  H     14.53831431      9.86470029    -14.67545928
  O     10.90825207     11.96439850    -14.23661681
  H     12.02202523     10.68795548     -8.74170147
  H     10.67390577     11.40234388    -17.12847086
  O     16.18145405     11.61931556    -10.53987074
  H     16.11502772     13.72322886    -12.98119687
  H      9.78345722     10.26314823    -16.60479457
  O     14.85150574     10.77505618    -14.59860345
  H     17.15528892     12.60673256    -13.27089720
  H     14.09861052     14.55566280    -12.49446638
  O      9.84456820     11.22479689    -16.66629605
  H     12.33917410     11.83550164    -11.66326237
  H     14.61145519     15.62838566    -13.47752428
  O     14.48556735     14.68747040    -13.37834444
  H     11.09870159     12.29447897    -12.46149319
  H     10.41936320      8.61093708    -15.25694113
  O     10.10960203      8.42024762    -16.15911735
  H     13.68272283     13.61979039    -14.68860950
  H      9.50108156      7.68919612    -16.09137207
          69
 Energy    -250.12240377249702     
  O     15.58635828     12.02014310    -11.71334864
  H     15.62319310     12.36013805    -10.81010361
  H     12.46572224      6.65234495    -14.13876686
  O     18.70828562      8.35945192     -8.19483754
  H     16.21790546     11.29105180    -11.74251887
  H     12.36469123     11.17641810     -8.50703070
  O     15.54743760      5.60794618    -11.26582974
  H     19.11064387      8.35257162     -9.07182265
  H     12.67912887     11.82995931     -9.87602514
  O     12.44121441      5.26909616     -9.36700971
  H     18.04580396      9.06371931     -8.21220098
  H     14.22482867      8.07628193    -13.94591873
  O     18.28276034      5.66486673    -10.60531697
  H     15.36841799      5.79262894    -10.33157475
  H     12.92802377      8.84387782    -14.31964620
  O     17.76514226      5.85199644     -7.78396154
  H     14.79862605      5.09469082    -11.59024361
  H     19.08654358      7.19097250    -10.90659595
  O     17.22139260      9.70531880    -11.29033438
  H     13.30799884      5.41632826     -8.96640779
  H     20.33237661      7.97982270    -11.37609295
  O     15.41936568     12.68278399     -8.90304498
  H     12.61579668      4.87714981    -10.23075875
  H     14.81710104      6.95580431     -8.33320424
  O     16.61050372     10.17223167     -8.57750927
  H     17.39894221      5.53916795    -10.97454878
  H     15.95221950      5.90639939     -8.19689023
  O     13.60563152      8.91010317    -10.81225802
  H     18.17812592      5.57770751     -9.64957752
  H     13.82417890     11.70170811    -11.86147917
  O     11.32441961      7.74135526     -9.83881328
  H     18.10414942      6.76319684     -7.84993703
  H     12.48296427     11.12947783    -12.46850256
  O     11.86814634      5.92474758    -13.88429386
  H     18.21277535      5.44474136     -7.04734929
  H     10.81017449      7.24399159    -12.89681879
  O     12.81128902     11.92240134     -8.92098911
  H     18.06446995      9.23493094    -11.28188549
  H     10.54788472      7.92478196    -11.54027768
  O     13.42292951      8.03305729    -14.48608689
  H     16.98156188      9.84216197    -10.36288479
  H     10.97976514     10.51410754    -14.39584998
  O     19.48440611      8.07900367    -10.95217311
  H     15.50138201     13.54909897     -8.51362378
  H     11.12016958      9.43971598    -13.29171762
  O     15.06746998      6.04800766     -8.55629686
  H     14.47963384     12.43400492     -8.83794908
  H     10.94496071      9.49005876     -7.10104684
  O     12.90971834     11.44346225    -11.66262269
  H     16.31404226     11.09052031     -8.60602658
  H     11.39964484      8.90100896     -8.45390006
  O     10.42495246      8.03010367    -12.49283086
  H     15.83782117      9.64675884     -8.32559934
  H     13.01148114      3.42038779    -12.27557963
  O     11.59684171     10.14079488    -13.77145826
  H     14.21127186      8.56100719    -11.47612201
  H     12.67548116      4.87716590    -12.66523656
  O     11.63849016      9.53237293     -7.75441166
  H     13.37696304      9.81243234    -11.07154683
  H     14.14782388      8.78368699     -9.14401443
  O     13.13939126      4.32904328    -12.01249814
  H     11.57938925      6.83700122     -9.60409743
  H     13.49422571      8.96085932     -7.76661282
  O     14.31498108      8.68948515     -8.19091075
  H     12.10432373      8.13069025    -10.26622540
  H     15.59613692      7.14494588    -12.21592479
  O     15.48701793      8.01184905    -12.63220753
  H     11.42712785      5.64330789    -14.68208150
  H     16.14197997      8.60924151    -12.24555762
          69
 Energy    -250.12204560449743     
  O     16.07531943     10.14134989     -8.44508464
  H     16.50778951     10.19222653     -7.59730649
  H     14.04881623      8.72624347    -14.44459390
  O     12.33108135      6.32379531    -13.12292867
  H     16.63617860      9.58369803     -9.01438104
  H     14.70814169      5.63801645    -16.02843679
  O     17.32130988     10.08684446    -12.48683156
  H     12.85878802      6.49047731    -12.32841538
  H     14.05570266      6.81671646    -15.28268561
  O     17.56381582      8.95257962    -14.96609891
  H     12.94088480      5.95607492    -13.77284916
  H     16.99889310      7.33647884    -14.18645499
  O     16.40076479     12.73050375    -12.48309081
  H     17.55725939      9.76978332    -13.37024941
  H     15.90191158      6.23121527    -14.23962134
  O     14.05686546      7.05045096    -11.06080365
  H     17.12469844     11.03054533    -12.54283011
  H     14.51512001      8.38975427    -12.19332552
  O     15.47981559     10.14176750    -16.38442426
  H     18.20443659      8.64770819    -15.61929370
  H     15.59143529      9.43593990    -12.64098872
  O     14.60114150     12.10412088    -14.61923667
  H     16.85315158      9.39471244    -15.45306374
  H     13.09133858      9.75541881     -9.51305562
  O     15.63279362      5.58252517    -17.67311568
  H     15.93659664     12.58639271    -11.63801088
  H     14.41495431      9.34612076     -8.84639257
  O     11.07396384      8.57279924    -14.01512557
  H     16.85196852     13.56727720    -12.40992437
  H     13.36241036     10.26092947    -12.82415955
  O     16.72268900      6.09497963    -11.14367988
  H     13.86931984      7.65278663    -10.32364422
  H     11.90211282     10.15182317    -13.29573814
  O     13.58594423      8.52960062    -15.27662393
  H     14.92559847      6.65417847    -10.92754417
  H     17.73156498      5.60367979    -15.28882073
  O     14.36363655      5.90394334    -15.16705076
  H     15.26867301     10.95166188    -15.89878257
  H     17.27506617      5.29651433    -16.72380669
  O     16.76227315      6.45876570    -13.85788495
  H     14.75225051      9.53810834    -16.17007189
  H     17.57063170      9.16527708    -10.95540968
  O     14.70635644      9.09995171    -12.81990760
  H     13.79754637     11.82004390    -14.17049523
  H     17.32330178      7.74192382    -10.40872565
  O     13.58934984      8.99125904     -9.20037182
  H     15.20507222     12.38425297    -13.92002777
  H     17.39946698      8.11165175    -17.92136904
  O     12.54536813     10.77445044    -12.93567893
  H     15.85592590      6.50701328    -17.88360608
  H     16.10549501      8.92274379    -17.71743627
  O     18.06224274      5.40382201    -16.17404546
  H     15.37017143      5.17156416    -18.49248570
  H     14.18835245     12.02035589    -10.16673063
  O     17.53022372      8.64381343    -10.14013734
  H     11.45070219      7.75479300    -13.64138407
  H     15.52020562     11.55356905     -9.55043861
  O     16.46311376      8.13946643    -18.15446592
  H     10.17288151      8.37389710    -14.25378958
  H     19.98122915      7.73437181    -17.33502128
  O     15.13761488     12.19215755    -10.16538301
  H     17.08892351      5.24027254    -10.93084511
  H     18.83043371      6.88053334    -16.74662959
  O     19.08323959      7.78076270    -17.01955678
  H     16.78853729      6.19462687    -12.10901647
  H     11.61049178     11.86723899    -10.04361136
  O     12.40866547     11.39987140    -10.27593021
  H     12.64599346      8.60205753    -15.07610599
  H     12.36948144     11.23392786    -11.23284925
          69
 Energy    -250.12041839794404     
  O     -3.02137476      5.45249309      2.42562373
  H     -3.24448015      4.55570709      2.14361632
  H     -2.08880175      4.66863941     -2.56607730
  O     -0.52379575      4.15119036     -3.51034898
  H     -2.97497337      5.97122727      1.61310630
  H     -1.22229714     -0.20573274     -1.88585996
  O     -3.45852713      2.12222538     -1.39612559
  H      0.19316688      4.49398493     -2.94578992
  H     -2.35197812     -0.96557419     -1.16616252
  O      1.16092821     -0.52824674      3.32939397
  H     -0.33195109      4.43313261     -4.40049313
  H     -0.52271580      3.95612234      4.33033792
  O      3.31808336      3.49767907     -0.46923111
  H     -3.82535408      1.26467407     -1.15063853
  H      0.60906808      2.86367266      4.23344585
  O     -0.52900586      3.41489901      1.33128356
  H     -2.55221712      1.94907963     -1.69359651
  H     -0.89251329      6.37918551      0.20157207
  O     -1.39043072      0.46342030      4.38615511
  H      0.78178667     -0.53841949      2.43353546
  H     -0.19205104      5.09890631      0.71524636
  O     -4.02954818     -0.43936291     -0.29757072
  H      1.48190495     -1.41187201      3.49354755
  H     -3.41834597      2.74814605      0.33555129
  O     -2.49854241      0.24288866      1.89799712
  H      3.24098499      3.71276392      0.47910330
  H     -3.05863460      1.99754729      1.63123298
  O      0.05423920     -0.41210285      0.83389391
  H      4.24900623      3.42584447     -0.65944078
  H     -1.79306584      5.64080509      3.65565018
  O      2.27280867      1.94447303      4.07674752
  H     -0.36842004      3.29657089      2.27591849
  H     -1.43721598      6.24458569      5.03321799
  O     -2.86821293      4.81825717     -2.01648408
  H     -1.47803603      3.28609009      1.20641874
  H     -0.74054108      2.42138012     -2.84049699
  O     -1.41896514     -1.02042982     -1.40383672
  H     -1.15252647      1.40222373      4.38163940
  H     -0.15073357      1.71337005     -1.60620410
  O     -0.33067976      3.03768187      4.09981252
  H     -0.56620054      0.00095497      4.19786304
  H      0.94881149      6.25981879      1.93611655
  O     -0.02649017      5.98859308      0.36665630
  H     -3.58615376     -0.25879145      0.54869097
  H      0.57241964      6.05935234      3.40607759
  O     -3.24670409      2.87748797      1.27800397
  H     -4.79084284     -0.97832270     -0.09838235
  H     -3.11981737      7.52343390     -0.43332724
  O     -1.09202340      5.70168696      4.32972428
  H     -2.30890453      0.26339301      2.84659950
  H     -2.81008287      6.05341487     -0.79800527
  O     -0.84970589      1.64833696     -2.27257551
  H     -1.64507221      0.08042172      1.47418668
  H      0.52265314      2.46801002      0.31124395
  O      1.32962444      6.10399756      2.81183148
  H      0.50952777      0.36765861      0.48134777
  H      1.89421709      2.32018522     -0.40329250
  O     -2.70436920      6.73046615     -0.10545458
  H     -0.38792585     -0.82457581      0.07812513
  H      2.46747006      4.74918614      2.43738049
  O      1.05215347      1.87823535     -0.24960243
  H      1.93582076      1.07958259      3.79541647
  H      2.79991459      3.27439617      2.78206389
  O      2.98550623      3.98044861      2.15534700
  H      2.87679208      1.78125659      4.79821527
  H      2.11173993      4.59140954     -1.46586791
  O      1.38343183      5.08933508     -1.85355861
  H     -3.25724257      3.94741009     -1.87008212
  H      0.93393352      5.51849040     -1.11149126
          69
 Energy    -250.12037718662225     
  O     -0.23904625      1.61622351     -1.74391827
  H      0.32842990      2.38944484     -1.65514969
  H      0.72338746      0.38268149      2.98219173
  O      1.35781924      3.91757580     -1.07273252
  H      0.31143803      0.84471481     -1.54483409
  H      4.92697095     -1.47995772      2.91655068
  O      1.14368672      1.20005265      1.49880932
  H      1.32203736      4.77858383     -1.48157913
  H      4.19136280     -0.17625116      3.27555937
  O     -2.66133654      1.29176544     -0.60056446
  H      0.85549168      3.98025330     -0.24067918
  H      5.11555417      1.45438421      4.96566692
  O     -2.42564938      2.66929290      1.82921648
  H      1.06291284      0.63822189      0.71591509
  H      4.28243946      2.12057001      3.84760739
  O      1.26575836     -0.47678180     -0.74144388
  H      0.64895348      2.01494978      1.34603343
  H     -3.04348516      3.42329053      4.77955689
  O     -2.06903749     -0.93270315      1.12501764
  H     -3.32674030      1.26864279     -1.28305617
  H     -2.83564641      3.78495729      3.29701195
  O      3.36273746      2.52194060      0.39809046
  H     -1.80658104      1.43051118     -1.04679743
  H      1.40023065      3.31525881      4.25919146
  O      0.04316793     -2.56754464      0.66054278
  H     -2.32369947      1.92161566      2.43739276
  H      0.68551981      4.68835433      4.25887736
  O     -0.70282469      5.38734444      5.25357412
  H     -2.62668117      2.28843338      0.96517190
  H      1.21976868      1.09524687      4.85881408
  O     -2.18462101      0.50753921      3.56250313
  H      0.90066251     -1.28435824     -0.35908206
  H      2.63306697      1.63213523      5.15424803
  O      0.47229463     -0.08636448      3.79463092
  H      2.22722125     -0.49284336     -0.62054812
  H     -2.03411834      2.18035388      6.25404757
  O      4.16430385     -0.94919705      2.69192982
  H     -2.22541766     -0.55255765      1.99874649
  H     -3.42777754      1.65556437      6.67439703
  O      4.37490072      1.31022624      4.38156244
  H     -2.30261310     -0.24482258      0.49076770
  H      0.31310479      2.49385161      6.36162141
  O     -2.87663383      4.16491756      4.18387297
  H      2.86070251      3.04518672     -0.23786517
  H     -0.50444643      3.80235883      6.35049215
  O      1.28904005      4.13140652      3.75081444
  H      2.69906800      2.00614778      0.88227968
  H      3.96741538      0.75045997     -0.05993866
  O      1.69889215      1.81553168      5.29801090
  H     -0.73694575     -2.01641907      0.85433112
  H      4.03763221     -0.49444114      0.84039985
  O     -2.89590674      1.87793802      5.91512684
  H     -0.28646705     -3.41205706      0.36402162
  H      0.47430321      3.96305182      2.15284854
  O     -0.50006840      2.89921682      6.69050991
  H     -0.92038515      6.26665684      5.55006704
  H     -0.86783056      3.49608749      1.49336472
  O      3.92206346     -0.21457053     -0.07619363
  H     -1.50393543      5.02422381      4.83421560
  H      2.51657101     -1.97517537      2.81457408
  O      0.03901841      3.77681070      1.30856946
  H     -1.26039933      0.25870149      3.71796953
  H      1.20658072     -2.52056896      2.18283440
  O      1.67787629     -2.40716490      3.01845173
  H     -2.51882078      0.86585059      4.39318748
  H      3.09809528      3.93123242      3.17799816
  O      3.94733863      3.54417656      2.92994896
  H      0.81905822     -0.98357124      3.70214312
  H      3.87601235      3.30925844      1.99456894
          69
 Energy    -250.12009054067823     
  O     12.81639599     10.11049171    -16.51180398
  H     12.33712270      9.76452716    -15.74788145
  H     16.74549397      5.32554888    -14.66456136
  O     16.31920523      6.12344207    -13.02803233
  H     13.37669196     10.82850399    -16.19599285
  H     19.52087562      7.84080440    -14.76891436
  O     17.26343162     10.45172588    -11.73087775
  H     15.47904937      6.19004597    -12.55470669
  H     20.92796187      7.90145227    -14.12738734
  O     17.37914661     11.54620242    -16.34599333
  H     16.98203394      6.62626630    -12.53448018
  H     16.04226366      7.53678823    -14.13917917
  O     14.21088054      5.48572851    -16.62242883
  H     16.45344310     10.53181693    -12.25652518
  H     16.94912014      8.22359909    -15.16848385
  O     13.84079064      9.29270404     -9.41521090
  H     17.00413679     10.52713005    -10.80452606
  H     11.81954450      7.88235911    -14.45096147
  O     13.85659122      6.54400101    -11.85259571
  H     17.85201434     11.24355126    -15.54981946
  H     10.48614908      8.66547417    -14.45685680
  O     15.09457899     10.47017928    -13.41473692
  H     17.98151929     12.12123034    -16.81280339
  H     16.92906960      8.49441031     -9.10575931
  O     17.19419867      9.06446113    -17.85422341
  H     13.85103148      5.01153943    -17.36818547
  H     17.57230312      7.50370071    -10.09289258
  O     14.54626062      6.51595649     -9.13999469
  H     14.32279832      6.40971526    -16.90618907
  H     13.15860183      5.94568604    -15.08299397
  O     18.44966227      7.41857845    -16.05280580
  H     13.93736942      8.35098616     -9.22718174
  H     13.03088567      6.18016743    -13.54943510
  O     16.89436897      5.19173807    -15.61154458
  H     13.43654890      9.35019094    -10.29130656
  H     18.30154793     10.75730456    -13.27190858
  O     20.02015854      8.16127262    -13.99582372
  H     14.01356924      6.39536504    -10.91167433
  H     19.26623566      9.91331137    -14.12161367
  O     16.10366772      8.31276972    -14.71225279
  H     13.58421259      7.46899061    -11.93763678
  H     18.91956813      7.82633555    -12.49197089
  O     11.43081445      8.77368166    -14.37971828
  H     15.45881879      9.70724460    -13.89385758
  H     17.85597950      8.71371678    -11.81437093
  O     17.05354896      7.55302407     -9.27976829
  H     14.90223640     11.14413337    -14.07575225
  H     15.40222769     10.03382430     -9.19013330
  O     12.59986396      6.33275223    -14.39953736
  H     16.27736194      8.76227552    -17.80093295
  H     16.34716619     10.91189410     -8.33478983
  O     18.71679326     10.70571405    -14.14249545
  H     17.21658056      9.92278035    -17.41548222
  H     13.75437945      9.71430464    -12.51292520
  O     18.20442086      7.81059394    -11.84484799
  H     14.47680330      5.89786958     -8.41769228
  H     12.35244878      9.13650736    -12.79034554
  O     16.32528715     10.32898002     -9.08877581
  H     15.47580841      6.80574208     -9.17448854
  H     15.65031572     11.93037184    -15.94989031
  O     13.02823391      9.21871330    -12.10659246
  H     18.13890378      7.91402302    -16.82360105
  H     14.59548446     13.04622090    -15.77674494
  O     14.74586451     12.11272536    -15.64689714
  H     17.97001504      6.57683778    -16.00638611
  H     13.93242550      8.80584260    -17.02274137
  O     14.63646617      8.14359771    -17.06598580
  H     16.01484776      5.17215912    -16.00636518
  H     15.10074241      8.19329893    -16.21640502
          69
 Energy    -250.11739707423396     
  O     12.38326656     11.15932097    -15.29963874
  H     13.07621408     11.82564674    -15.22218680
  H     15.20696807      5.79770436    -14.61925463
  O     15.56028214      6.68261872    -13.00927443
  H     12.01969995     11.01341860    -14.41758409
  H     19.72312220      8.52382040    -13.27671379
  O     17.38905416     10.46404783    -11.39282448
  H     16.35953249      6.89001610    -12.50880761
  H     19.41507761      7.35728949    -14.23083894
  O     17.94121955      9.92174749    -15.46617575
  H     14.82060002      6.89581321    -12.42374059
  H     15.80708900     10.73473362    -17.58214358
  O     12.20513911      6.56826056    -15.45373959
  H     16.93832955     10.42551656    -10.53715839
  H     16.90504040     11.03571589    -16.55307700
  O     15.69443836     10.07335506     -9.26860161
  H     16.74386985     10.83096013    -12.01535429
  H     14.77995273      8.89639845    -15.19198421
  O     13.70965678      7.54777134    -11.12203048
  H     17.10151427      9.55367173    -15.14641763
  H     15.53541952      8.14294345    -14.05904331
  O     15.38629194     11.25770809    -13.09671691
  H     18.45061861     10.20683946    -14.69787416
  H     10.34642783     10.62221325    -12.54803601
  O     16.43001574      7.00981183    -17.33900084
  H     12.57300317      7.38787661    -15.83022617
  H     11.29758292      9.44620232    -12.87235258
  O     15.87312540      7.18489688     -9.31548645
  H     11.53162741      6.26597337    -16.05833320
  H     12.21695796      7.47724292    -12.28777720
  O     19.01905788      7.48404840    -16.14877172
  H     14.87290565     10.24578717     -9.74791369
  H     11.76272951      7.25554865    -13.75523664
  O     14.90536797      5.58873172    -15.51337539
  H     15.70623718      9.12452339     -9.09543062
  H     20.15507750     11.08907939    -12.93513401
  O     19.59131857      7.56765425    -13.30641545
  H     13.67983495      8.51600076    -11.14288135
  H     18.80929504     10.51190052    -12.44238385
  O     16.15849918     11.43520750    -17.01918641
  H     14.30727038      7.31257786    -10.40220987
  H     17.51545524      8.59377516    -11.40312372
  O     15.50119084      8.97040408    -14.55535056
  H     15.37319494     10.42813014    -13.60091828
  H     18.37962929      7.45192641    -11.98988113
  O     11.25066411     10.41468402    -12.76916985
  H     15.18102081     11.95717053    -13.72681552
  H     15.13098880      9.01050453    -19.36465242
  O     11.55569401      7.73365962    -12.94321882
  H     15.89373453      6.46042109    -16.74760136
  H     15.67462784      8.36917614    -18.06477672
  O     19.47771220     10.45157548    -13.14615919
  H     17.31651797      7.02339894    -16.96494354
  H     12.71416115     10.46339780    -11.59225745
  O     17.63456380      7.63431903    -11.39868620
  H     16.56820612      7.23939466     -9.99289979
  H     14.20992212     10.73255699    -11.82116143
  O     15.19887792      9.14234211    -18.42311637
  H     16.16252294      6.53722134     -8.67782492
  H     15.19506904     12.39951827    -15.93149935
  O     13.58399693     10.34949753    -11.18985221
  H     18.68995200      8.38868755    -16.01056414
  H     14.69982261     13.80162395    -15.50490897
  O     14.67759079     12.88058701    -15.26032455
  H     19.75265506      7.54924739    -16.75665967
  H     13.85858054      9.01105428    -17.16021589
  O     13.33832813      8.85961303    -16.36221797
  H     13.95781863      5.76666623    -15.50685008
  H     12.94894445      9.69869538    -16.06943598
          69
 Energy    -250.11649393157018     
  O     12.36899406     11.00565919    -13.37608373
  H     12.81454453     10.77338665    -12.55008957
  H     14.96395715      3.95330992    -14.87349543
  O     16.15105326      6.59691026    -12.84201491
  H     12.88992117     11.72042560    -13.76262003
  H     19.21239465      7.06507149    -14.06764361
  O     18.45483790     10.26203596    -12.46956178
  H     15.44266963      6.87396420    -12.24440028
  H     20.23838060      6.56704083    -15.10968836
  O     17.53660772     10.72310686    -17.31978591
  H     15.80297429      5.88529689    -13.39397899
  H     15.80551192     11.43722176    -17.04531591
  O     12.82350062      6.44059557    -13.54520794
  H     18.56113121     10.43187184    -11.52561033
  H     14.34842299     10.95791211    -17.23485476
  O     15.71055839     10.12968551     -9.05799273
  H     17.58879642     10.62055685    -12.71723627
  H     15.84913586      7.94329878    -14.08474647
  O     14.03507711      7.43984692    -11.28027264
  H     18.06587429     10.46000380    -16.54551752
  H     15.88586805      8.49763639    -15.54593042
  O     15.97228324     11.04681184    -13.31565835
  H     18.13810201     11.13905217    -17.93196744
  H     18.57988819      7.42265563    -10.51062505
  O     16.08084751      8.33001702    -17.42098314
  H     13.44470460      5.88751765    -14.03260477
  H     17.48286320      7.40455968     -9.41526232
  O     15.61804244      7.23395243     -9.03904231
  H     12.65629658      7.21240785    -14.10240913
  H     19.16836415      8.86874895    -15.24737877
  O     16.97785020      5.97562577    -16.25551403
  H     16.63367257     10.34761876     -9.23335983
  H     18.92373293     10.06994800    -14.30828629
  O     15.01458198      4.89490494    -14.73079339
  H     15.69375506      9.17842138     -8.89604357
  H     18.60132797      8.43695732    -12.43773890
  O     19.37768758      6.97000862    -15.02120468
  H     13.99082693      8.40567697    -11.34126695
  H     17.77912477      7.11201094    -12.52800026
  O     14.88377189     11.69799685    -16.92567378
  H     13.47310590      7.06671859    -11.97496824
  H     19.16683071     10.72757881     -9.02187900
  O     15.59798015      8.68723381    -14.64561047
  H     15.45911217     11.75974228    -13.71394017
  H     18.55367851      9.40978430     -9.55356949
  O     18.39456279      7.66749634     -9.59507711
  H     15.85106504     10.25832700    -13.86805140
  H     13.11336457      9.13396676    -16.73112479
  O     18.99459827      9.81737734    -15.23718091
  H     16.62832818      9.11991716    -17.52290635
  H     12.70205688      9.19815346    -18.22140940
  O     18.67560736      7.47113840    -12.42486307
  H     15.17148879      8.58580723    -17.62351885
  H     14.81892403     10.50718619    -11.99436269
  O     18.53654160     10.37963801     -9.64729783
  H     15.22095692      6.68990372     -8.36295740
  H     14.60649016     10.29562454    -10.47937779
  O     13.44075062      9.31411489    -17.62985850
  H     15.00464927      7.22805244     -9.79233027
  H     14.42945408     12.49097534    -15.45544608
  O     14.17403613     10.20450811    -11.34063494
  H     16.69113344      6.70700229    -16.81963056
  H     14.17543392     13.79865734    -14.66599109
  O     14.23364480     12.85186104    -14.57208236
  H     17.81306607      6.25324045    -15.86073230
  H     12.53859300      9.59987073    -14.46474917
  O     12.85761447      8.86456820    -15.00903325
  H     15.69113334      5.23316256    -15.34486731
  H     13.80534494      8.78170118    -14.82330963
          69
 Energy    -250.11625623808987     
  O      3.14895295      1.81103046      2.66338471
  H      2.92517580      2.33962845      3.44115206
  H      1.29796996      3.62299493      0.95712127
  O     -0.11114377      0.83281270      4.76156865
  H      3.13069173      2.42211727      1.91720273
  H      3.01858667     -2.06074711      5.03429707
  O      5.51372589      3.72249786      7.04254657
  H      0.28146646      0.39047983      3.99611934
  H      2.49449599     -1.25707942      6.25427434
  O      4.51664284     -1.58312390      1.59079330
  H     -0.24953133      1.74773833      4.49175845
  H      5.67720362      2.76051219     -0.13099504
  O     -0.17229974      3.51874098      3.82129608
  H      6.24452238      3.09882961      6.94870945
  H      5.41955410      2.52511802     -1.63505245
  O      3.12298412      3.86250362      0.71261130
  H      4.72292419      3.17930135      7.15215966
  H      0.68496382      0.29155253      6.19531041
  O      2.66635423     -2.58799784      3.24323659
  H      4.14985587     -1.10048646      0.83550008
  H      0.58539927     -0.24819344      7.64246230
  O      1.29085458     -0.24447515      2.60578192
  H      5.07045931     -0.94767017      2.06243505
  H      4.04903606      4.34141553      4.50767458
  O      0.63382916      0.63503573      0.10324627
  H     -0.87397304      4.15803837      3.91061100
  H      5.25893905      4.53291010      5.43088013
  O      6.66258505      3.61854359      1.05566287
  H      0.00894942      3.43445958      2.86774827
  H      4.00833663      1.27234907      6.37600422
  O      7.40514351      1.67704445      6.33541387
  H      3.65123355      4.55219933      1.13370122
  H      2.58554177      1.25707173      6.97255985
  O      0.42743438      3.26924336      1.18477548
  H      3.69372021      3.43280292      0.06151079
  H      2.64265869      2.95251776      5.49639696
  O      3.25812970     -1.73704040      5.91162552
  H      2.51390946     -3.50984287      3.05446187
  H      1.53994776      3.57192856      4.54739958
  O      5.01850374      2.44248922     -0.77322215
  H      3.37940581     -2.29330044      2.64548662
  H      4.70899587      0.97398811      2.83681109
  O      1.20736021     -0.00559883      6.96188653
  H      1.69761710     -1.09434603      2.81537400
  H      6.18254854      1.30237830      3.16187448
  O      4.96413018      4.66011568      4.51774958
  H      1.99004767      0.42766877      2.62905323
  H      4.95624704      5.41204694      2.92048518
  O      3.31955447      1.84237342      6.74724715
  H     -0.00884340      0.09514986     -0.35076632
  H      4.97664781      6.63105383      1.97091889
  O      2.48645806      3.51398666      4.72228032
  H      0.77208892      0.22969827      0.97683301
  H      5.37223351      0.17592207      4.77196593
  O      5.56999677      0.56962950      3.02640224
  H      6.99588689      3.28888948      1.89905706
  H      4.65720601     -0.65264109      5.87513277
  O      4.90298831      5.68019301      1.98714195
  H      6.16948281      4.41861086      1.27699247
  H      7.34981180      2.49226763      4.59694623
  O      5.27072303      0.08253235      5.72993730
  H      8.10328102      1.22683710      6.80365278
  H      6.30732211      3.45034961      3.98694801
  O      7.02393018      2.84142601      3.75863542
  H      6.69062980      1.02863411      6.20716676
  H      3.98627205      0.84392709     -0.53983302
  O      3.45777063      0.04903538     -0.40066549
  H      0.38351451      2.40765927      0.75248855
  H      2.53819011      0.33070573     -0.34804309
          69
 Energy    -250.11597790528867     
  O     18.02925305      9.59416531    -11.24350786
  H     18.15030669     10.44892887    -10.81070603
  H     13.35810926      9.36380368     -9.29106716
  O     14.31156246      6.27597055     -7.40190723
  H     18.75619659      9.00611585    -10.99424878
  H     18.88939804      4.56249110    -11.22224384
  O     18.08857866     11.98493043     -9.79063832
  H     14.76183965      5.85673317     -8.14828131
  H     19.59486086      5.05409817    -12.50090944
  O     12.37541077      7.82898844     -8.91541069
  H     13.60689378      6.79741379     -7.80366581
  H     15.48151700      5.68119108    -10.68857315
  O     16.24156153      8.52921237    -13.06345675
  H     18.24569797     12.89240089    -10.03705947
  H     15.92460003      6.71513006     -9.63826613
  O     19.85321029      7.65542732    -10.46914591
  H     17.23075344     11.96238164     -9.32742259
  H     21.26738595      6.89239298    -13.29545356
  O     20.79479621      8.52124583     -7.98725827
  H     12.47393334      7.51818302     -9.83355645
  H     20.27225730      7.13098078    -12.13899117
  O     18.50582439      5.38565691     -9.60587145
  H     11.44956551      7.74926943     -8.69946057
  H     16.64590214      9.46905090     -6.19004588
  O     12.74907061      7.24527658    -11.54452766
  H     16.78225607      8.05574360    -13.71302667
  H     16.60298424     10.58257789     -5.11790613
  O     15.79549181     11.77279677     -8.38142369
  H     16.86290952      8.95233560    -12.45444038
  H     18.77199880      6.93490944    -14.10319047
  O     13.86282214      9.73432750    -12.44705521
  H     20.29366261      7.97069357     -9.66993205
  H     17.56880495      6.04548050    -14.46350837
  O     13.97676615     10.02467305     -9.63066464
  H     19.33751866      6.87647457    -10.20904622
  H     15.47890565      9.00299278     -9.46700195
  O     19.02500169      4.35577010    -12.15737610
  H     20.24645301      9.30292296     -7.79459302
  H     16.92087139      8.84991296    -10.02098015
  O     15.77612460      5.76597306     -9.77346303
  H     21.63785064      8.66446575     -7.56569383
  H     18.43127464     10.59868490     -6.94869495
  O     20.36348201      6.74733123    -13.02642817
  H     17.54030623      5.40548110     -9.66382953
  H     18.91619437     11.15465991     -8.30189034
  O     16.77116033     10.42250282     -6.04287571
  H     18.72878811      5.58495905     -8.68492270
  H     15.60423659      5.34293334    -12.96214101
  O     17.91088779      6.94490538    -14.53933748
  H     12.96459633      8.09976260    -11.93751504
  H     15.49862499      6.84821968    -12.61830325
  O     16.27804805      8.46315777     -9.41641853
  H     13.42923352      6.64200174    -11.87155471
  H     19.63264601      7.12916554     -7.28204612
  O     19.19621806     10.64072174     -7.53514117
  H     15.06949718     11.26428292     -8.76608793
  H     18.17255822      6.86148426     -6.85423499
  O     15.09100349      5.98596602    -12.45728939
  H     16.01399877     11.35318698     -7.53986138
  H     16.57406424      8.09747090     -7.69693741
  O     18.99605654      6.42577613     -7.10970093
  H     14.70341669      9.33708820    -12.73307694
  H     15.73806720      7.24154094     -6.74273851
  O     16.51630588      7.81570220     -6.77017082
  H     13.57649451     10.30608263    -13.15486256
  H     16.84543087      3.51524232    -14.30274517
  O     16.89864502      4.34284422    -13.83298137
  H     13.89283234     10.02753095    -10.59354784
  H     17.64041945      4.26361687    -13.20613300
          69
 Energy    -250.11592159719802     
  O     16.10576519     10.06989845    -16.88775974
  H     15.25956313     10.40742715    -16.55611274
  H     16.49471285      6.66665514    -14.92642991
  O     17.02487746      5.41957245    -12.23501210
  H     15.92598121      9.38297515    -17.53958769
  H     19.62504247      9.97530707    -16.60551304
  O     18.12949361     13.46324501    -11.18597477
  H     16.64460226      4.63506316    -11.84590520
  H     20.95874535      9.51371077    -17.24235022
  O     19.49116953      8.22109280    -14.26267162
  H     16.68200010      5.47254702    -13.14257157
  H     16.11358800      8.60759196    -14.07187996
  O     14.15886315      6.67317192    -16.44210057
  H     18.52126445     14.29577995    -10.93329226
  H     16.59708986      8.98615247    -15.49873518
  O     16.53416243     10.26274725     -9.34127414
  H     18.56648028     12.77579714    -10.65791692
  H     14.13629076     11.27776130    -14.84219747
  O     14.75102060      8.91465093    -12.89902008
  H     18.53511073      8.28412996    -14.42219693
  H     13.33913072     10.07576651    -15.39540938
  O     17.90874253     11.79482787    -13.48509736
  H     19.91435893      8.53577832    -15.06987498
  H     16.83209744      7.11891434    -11.40376356
  O     19.57192897      5.52017463    -13.62420882
  H     14.65590556      7.02789930    -17.18978753
  H     15.90817938      8.32732057    -11.68310514
  O     12.77459740      8.32359720    -14.79043960
  H     14.79506867      6.16227478    -15.92567252
  H     19.21184616     10.63551004    -10.63807863
  O     18.72735614      4.82296291    -16.10988538
  H     17.44763103     10.56878249     -9.34832232
  H     20.00173040     11.01041136     -9.36094935
  O     16.32939488      5.70971502    -14.90881713
  H     16.53510721      9.42117134     -9.81399574
  H     19.25411098      9.11069704    -12.71831484
  O     20.18683299      9.19719735    -16.78192003
  H     14.80915959      9.88078938    -12.95386552
  H     18.09054906      9.03564333    -11.68662261
  O     16.78742400      8.42160173    -14.73812242
  H     14.00145024      8.64304697    -13.44292799
  H     16.24220865     12.96782800    -10.79429681
  O     13.80649550     10.87737624    -15.65883622
  H     18.19642958     10.99268930    -13.02893389
  H     15.66367104     11.69955517    -10.15167661
  O     16.67550646      8.03937989    -11.16418267
  H     18.00297700     12.50813792    -12.84174903
  H     18.57849521      6.37199284    -17.19929124
  O     19.25121018     11.26152743     -9.89302404
  H     19.67024573      6.47078235    -13.78409830
  H     19.01746916      7.83919195    -17.43766283
  O     18.84117717      9.57389051    -11.97767353
  H     18.83915210      5.43256966    -13.00414666
  H     16.03242440     11.68194074    -13.49024311
  O     15.42274792     12.47380483    -10.68094817
  H     11.85838098      8.06085545    -14.76920281
  H     15.03065137     11.96829936    -12.35583624
  O     18.38154771      7.16660104    -17.70936246
  H     13.22455336      7.72551020    -15.41296668
  H     17.66286188     10.94457521    -16.54139830
  O     15.09807800     11.61343317    -13.25493463
  H     19.12092294      5.01253127    -15.23958610
  H     18.36849741     11.52191888    -15.29447240
  O     18.52427491     11.22532602    -16.19958029
  H     19.08487775      3.98784449    -16.39914515
  H     16.76500708      7.51728077    -18.23420828
  O     15.85038149      7.75603503    -18.47138187
  H     17.05240774      5.29890495    -15.39911200
  H     15.77906336      7.66599350    -19.41797228
          69
 Energy    -250.11501944988427     
  O     10.85775433      6.29994129    -13.26656925
  H     10.34937967      5.62321249    -13.70408267
  H     14.22890569     14.58553186     -6.43241030
  O     12.73347694     11.80674258    -11.70878695
  H     10.84412923      7.08448048    -13.84596470
  H     11.58451396     12.73670963    -10.66350594
  O     13.80641006     10.63374631     -9.45079826
  H     13.48955698     12.23759782    -12.12390117
  H     10.10106213     12.72083810    -10.22197988
  O     14.97202366      7.51407308    -10.83151266
  H     13.09632984     11.29456567    -10.97162357
  H     12.05301036      8.01799426     -9.84567624
  O     14.85987434     15.39115979    -11.19064315
  H     13.30886156     11.13097348     -8.79038167
  H     12.23981582      8.41956110     -8.36281365
  O      9.21026835      9.43298141     -9.17785395
  H     13.52327414      9.71178278     -9.39173485
  H     11.10892920      9.37835075     -6.18212665
  O     15.18952759     12.88564841    -12.44463132
  H     14.29080212      7.56910122    -10.15472530
  H     11.51520591     10.43534617     -7.23305525
  O     15.97914382     13.93262596     -8.96952321
  H     14.53833607      7.16813865    -11.62746420
  H     15.44092061     11.15788132     -9.91242330
  O     10.72523405      8.03692283    -11.07690941
  H     14.03723292     15.39419108    -10.67013404
  H     16.69069592     10.71024168    -10.69541161
  O     12.68616098     15.27932223     -9.54955714
  H     15.01423577     16.29177905    -11.46350713
  H     11.93755087      8.75051923    -14.88192409
  O     15.52518634     10.40188720    -13.79175047
  H      9.61854371      8.81048514     -9.79600844
  H     10.75837527      9.31742790    -14.05977462
  O     13.93335273     14.11958954     -7.20998324
  H      9.78912369      9.45470445     -8.40748109
  H      9.82160542     10.85498004    -12.08253454
  O     10.96261193     13.10249515    -10.01611348
  H     15.63731738     12.42958165    -11.71567439
  H     11.34350685     10.90104197    -12.38147138
  O     12.71536642      8.11570158     -9.14461347
  H     15.09863291     13.80511967    -12.16639261
  H      8.81110263     10.84038209    -10.11359387
  O     11.20715142      9.52083526     -7.12053991
  H     16.24585040     13.08063720     -9.34025353
  H      7.75589184     11.75125018    -10.78887346
  O     16.28195939     11.47709070    -10.27562479
  H     15.74711297     14.48826741     -9.72347678
  H     14.18438434      8.65414789    -15.96825354
  O     11.00403486      8.61179248    -14.67291293
  H     10.71822726      8.85134333    -11.59996478
  H     14.38412016      9.40819253    -14.63907648
  O     10.52891813     10.40858083    -12.56155012
  H     10.71484723      7.31134305    -11.71237327
  H     17.73132059      8.60879855    -11.75789264
  O      8.69401744     11.60028000    -10.71260032
  H     11.96903720     14.66186695     -9.74399036
  H     16.25027234      8.54833206    -11.31691906
  O     13.79704285      8.78895972    -15.10675139
  H     13.03329297     15.01304430     -8.68977569
  H     12.78276587      6.42698608    -13.14328774
  O     16.94887402      9.14218052    -11.64954097
  H     15.43131709     11.31838543    -13.50731189
  H     13.78406558      7.37209943    -13.82567238
  O     13.70675662      6.70081363    -13.13648807
  H     16.04340738      9.95796583    -13.10873057
  H     12.73355572     12.74428861     -7.40805292
  O     12.12768685     12.05651266     -7.71412808
  H     14.71244773     14.01502434     -7.78607091
  H     11.62652287     12.43089074     -8.45384036
          69
 Energy    -250.11460830542887     
  O     14.03932718     11.85458383    -14.12969841
  H     13.10961808     11.60783445    -14.26601398
  H     11.08249288      8.36651682    -16.77389236
  O     13.17634758      7.56711702    -14.01070763
  H     14.40795591     12.07531721    -14.99321588
  H     18.08735973     10.35023155    -16.37867804
  O     17.57219148      6.67849294    -12.87357505
  H     12.58405375      7.81477978    -14.73089603
  H     18.02920222     11.08584008    -15.02776015
  O     18.70462836      8.62327958    -16.89735305
  H     13.88239580      8.23361648    -13.99493870
  H     14.83545166     10.24783302    -14.09730335
  O     11.48687441     10.89946981    -14.34596007
  H     16.82377344      6.40779419    -13.42225897
  H     15.83224318      9.34596273    -13.31325283
  O     15.42370888      6.54926858     -9.32072249
  H     17.59964750      6.08149039    -12.11483513
  H     12.75628101     11.13311965    -11.38122176
  O     12.44323416      7.64827518    -11.39624422
  H     19.36553285      8.36236180    -17.53223751
  H     13.89649470     11.72865832    -12.22044367
  O     16.97258524      9.19061715    -11.89098050
  H     19.05404724      8.40013153    -16.01518371
  H     15.81554184      4.36276443    -11.69195514
  O     13.97789821      9.49404731    -17.33133183
  H     11.44760268     10.14067522    -14.94039951
  H     15.11149745      4.65276932    -13.03430051
  O     13.14752841      5.14273513    -10.37595308
  H     11.25435773     10.57863442    -13.46562486
  H     10.37990493     10.13563217    -11.04419060
  O     16.05815820      7.89057046    -16.29635200
  H     15.25679862      7.48016268     -9.51492801
  H     11.51330396      9.18414014    -11.48534449
  O     11.70861103      8.66422648    -16.11991165
  H     14.60198236      6.08371310     -9.52158977
  H     19.36925797      9.04650611    -13.93768684
  O     17.72146874     11.12837481    -15.94107697
  H     12.55167959      6.77384520    -11.00430449
  H     18.90368225      7.57438624    -13.84369284
  O     15.23726366      9.36912045    -14.07093057
  H     12.65769304      7.56410337    -12.33901148
  H     15.67886304      6.36893715    -15.24014967
  O     13.66886061     11.44257536    -11.32657464
  H     16.22654609      9.15210574    -11.27725635
  H     14.51651575      6.32914925    -14.25174582
  O     14.98363010      4.24646659    -12.16798140
  H     17.20189862      8.28379169    -12.14149847
  H     17.84668235      4.60828691    -10.02131222
  O     11.12959206     10.06435427    -11.63017449
  H     14.35425732     10.36690433    -17.16677323
  H     16.67430377      5.61770036    -10.10284134
  O     19.46594910      8.17782268    -14.34751981
  H     14.68443219      8.86121660    -17.14579089
  H     15.36490198     12.72066974    -17.27261703
  O     15.36152546      5.90241757    -14.45500872
  H     13.74042035      4.78048007    -11.05878661
  H     16.15060368     11.70102687    -16.41632643
  O     17.26931057      5.05670523    -10.63278196
  H     12.66710684      4.40518929    -10.00966064
  H     14.42537719      9.98757278    -10.58323301
  O     15.25547817     11.98899518    -16.67083082
  H     16.95544022      8.08820925    -16.58980934
  H     13.94271997      8.53753145    -10.72739514
  O     14.67275240      9.07112090    -10.38628436
  H     15.86813923      8.47581491    -15.54549061
  H     19.18463860     11.38259451    -12.73394589
  O     18.73074061     10.74240279    -13.27635759
  H     12.49256340      8.98102043    -16.60532929
  H     18.09585811     10.28775817    -12.69695750
          69
 Ord_Energy   -250.112991    
 O   -5.00292730     -0.744436622       2.88194537    
 H   -5.46010065       2.10384093E-02   3.24982691    
 H   -4.06359863     -0.534489036       2.96770096    
 O   -6.41884375       2.15863442       8.44817352    
 H   -5.94820976       1.65953577       9.12600040    
 H   -5.82917690       2.87571216       8.18127823    
 O   -2.44590712      -2.17181206       7.42170334    
 H   -2.55025458      -2.89568520       6.78843498    
 H   -2.91076684      -1.41875219       7.03190279    
 O   -2.43692970       5.91844225       7.80326796    
 H   -1.62570024       5.40870905       7.62712097    
 H   -2.20270371       6.60412884       8.42281055    
 O   -4.75175333      0.664593279       10.2762976    
 H   -4.81836605      0.643928826       11.2268734    
 H   -4.73704767     -0.261330634       9.97360325    
 O  -0.349866629       5.05022240       4.28107214    
 H   0.132971242       5.56583261       3.64138675    
 H   -1.19585741       5.50823641       4.43538380    
 O   -2.77822042       6.08293295       4.94046211    
 H   -2.74571466       6.19311953       5.89869308    
 H   -3.38782907       5.34910154       4.78153515    
 O  -0.231953070       4.48688316       7.09370995    
 H  -0.224146783       3.52314591       7.15071201    
 H   -9.91870090E-02   4.69874430       6.16099119    
 O   -2.44773245      -3.16655785E-02   3.87068224    
 H   -2.07622576      0.860184431       3.86876702    
 H   -2.93763709     -0.106633618       4.70213604    
 O  -0.751664281      -2.15321207       4.41427135    
 H  -0.282077938      -1.79641843       5.17558432    
 H   -1.27677894      -1.41598880       4.06837034    
 O  -0.633367658       1.67307103       6.98062611    
 H  -0.279950619      0.776163518       6.97169209    
 H   -1.41803968       1.65877986       7.54918194    
 O   -4.65058279      -1.81718946       9.23000336    
 H   -3.82820868      -2.10353804       8.81707382    
 H   -5.30765152      -1.80317056       8.51763058    
 O   -2.68231750      -3.89278626       5.22667313    
 H   -2.49573112      -4.79449034       4.97859907    
 H   -1.97521091      -3.34363294       4.84353209    
 O   -3.89914560       3.05087003E-03   6.29433632    
 H   -4.69268513     -0.486864358       6.56054974    
 H   -3.65512800      0.614590228       7.00220919    
 O   -5.80039883       1.40064073       4.63348484    
 H   -6.60696507       1.28500915       5.15135479    
 H   -5.10777187      0.952707171       5.13773441    
 O   -5.33242416      -2.77661824       4.76630592    
 H   -4.47587585      -3.20858455       4.84976625    
 H   -5.26018238      -2.15575171       4.02632618    
 O   -1.54805684       2.51374149       4.47594070    
 H   -1.21167672       2.20402837       5.32969236    
 H   -1.06032491       3.31792545       4.26126766    
 O   -3.02831817       1.67090464       8.33430290    
 H   -3.45751691       2.50615144       8.09604740    
 H   -3.49483967       1.32524502       9.10539722    
 O   -7.80801058      0.844508648       6.53331709    
 H   -8.74220085       1.01716375       6.61051416    
 H   -7.36666441       1.34069026       7.24716854    
 O   -4.11740208       3.59905767       4.81054020    
 H   -3.25756240       3.18077183       4.66005898    
 H   -4.79530716       2.94831157       4.58768892    
 O   -4.38362980       3.92815709       7.54849386    
 H   -4.36294651       3.82845759       6.58514500    
 H   -3.80974340       4.67597675       7.75753880    
 O    7.08571523E-02  -1.08254337       7.01726913    
 H  -0.766368687      -1.50689781       7.26812220    
 H   0.751749337      -1.48451614       7.55231380    
 O   -6.16797972      -1.43045461       6.94970417    
 H   -6.86634064     -0.793636978       6.76210642    
 H   -6.01121426      -1.98042810       6.16345119    
          69
 Energy    -250.11249181026446     
  O     14.36454224     12.59579877    -14.45914870
  H     14.16335785     12.17797257    -15.30518676
  H     18.45641452      4.13490376    -15.19043925
  O     14.23520466      6.48372817    -13.11874647
  H     15.32702318     12.61962460    -14.39384508
  H     17.00552471     11.45013110    -15.97835426
  O     18.33150866      7.80635424    -12.08394091
  H     13.79374398      6.87514319    -12.35356597
  H     15.84406170     10.94677766    -16.85870601
  O     18.17323209      8.57425989    -16.92420782
  H     14.62801587      7.23033952    -13.59420953
  H     14.47873310      8.84500241    -14.93624044
  O     12.79157152      9.03460882    -15.63290938
  H     17.74693751      7.04475925    -12.21209432
  H     15.69736143      7.92716048    -15.22552478
  O     15.97950143      9.04301984     -8.73265301
  H     18.48794808      7.86764039    -11.13326179
  H     13.46923482     12.23118045    -13.03096168
  O     13.23657862      7.97602174    -11.00957829
  H     18.75603231      8.66902667    -17.67366224
  H     12.50492952     12.72386524    -11.92447847
  O     16.88273716      9.99285743    -12.91686654
  H     17.68030330      9.41038374    -16.85363399
  H     16.66038424      5.42651658    -10.59732640
  O     14.29890468      6.70760823     -8.72995833
  H     12.37137694      9.16192374    -14.76794737
  H     17.30020086      6.24958092     -9.46274919
  O     16.22368188      6.61950713    -16.38906939
  H     12.83155546      8.08544839    -15.81828907
  H     12.17714279     10.33981793    -12.78362824
  O     13.37811348      6.33173959    -15.86544492
  H     15.35101799      8.32426223     -8.59209557
  H     12.16941684      8.86051208    -12.36482277
  O     17.92557307      4.88019610    -14.92305593
  H     15.60263413      9.58903734     -9.43603396
  H     19.11678522      7.53657090    -13.79781264
  O     16.80097189     10.90027587    -16.74458817
  H     13.81625645      8.75180591    -11.01833645
  H     18.97802374      7.79531577    -15.33010089
  O     15.34467016      8.57674886    -14.60239703
  H     13.45032687      7.49599218    -10.20016251
  H     17.10856632      5.15036988    -13.24783962
  O     13.00211304     11.96542299    -12.21851396
  H     16.31319626      9.54249307    -13.56278413
  H     15.80923164      5.77239654    -12.66526537
  O     16.60805703      5.60378962     -9.64838002
  H     17.47609005      9.31526072    -12.56828577
  H     17.54623810      8.35622876     -9.05990762
  O     11.91494093      9.45861939    -13.07768402
  H     13.93889401      6.18243287     -8.02046747
  H     18.98343631      8.03687145     -8.58279400
  O     19.32552440      7.18137519    -14.67175905
  H     15.08634745      6.23607011     -9.05620307
  H     15.58822129     10.21498039    -11.64340945
  O     16.72300073      5.53193531    -12.45103664
  H     16.88395318      7.23093070    -16.74323051
  H     14.24296564     10.92300000    -11.32136549
  O     18.36081131      7.87105116     -9.28519909
  H     16.71625473      5.92282238    -15.93598454
  H     17.15617856     11.51006963    -13.74407276
  O     14.87217248     10.26721236    -10.99592092
  H     13.48945334      6.14906855    -14.92317481
  H     17.88134677     12.86252545    -13.95277248
  O     17.18577325     12.30979662    -14.29839166
  H     14.27019721      6.30893663    -16.23402039
  H     13.46402794     10.39110450    -16.50501460
  O     13.94155266     11.15236467    -16.87796700
  H     18.52484036      5.64561204    -14.84529550
  H     13.44967910     11.43392165    -17.64527519
          69
 Energy    -250.11235743212919     
  O     14.38683358      9.87779127    -10.65108258
  H     14.15806112     10.36585425    -11.45353164
  H     13.04563012      7.28189737     -9.58264368
  O     13.41392648     10.33659634    -16.57481886
  H     13.67792341      9.24207288    -10.46612792
  H     18.77769253      7.13780608    -13.33897519
  O     16.78095745     11.06844832    -13.55153082
  H     13.09183806      9.69369314    -15.93128695
  H     18.41567565      7.66757056    -14.74230398
  O     14.44196560      4.70705811    -12.86284963
  H     13.29771335     11.20219036    -16.16270561
  H     14.45663659     12.89540752    -15.37661510
  O     16.41804333      7.74444073     -7.95086634
  H     15.84364723     10.96489353    -13.34602632
  H     13.13671197     13.69459290    -15.23965882
  O     16.15259725     12.69326264    -15.74740779
  H     17.28246991     10.96572154    -12.72977519
  H     12.51224811      7.93767363    -13.79772807
  O     15.82750473      7.79014915    -11.90751355
  H     14.86183325      4.75625327    -11.99341350
  H     13.80042252      8.22113400    -14.57654251
  O     13.95883517     10.89528445    -13.14772685
  H     15.16799900      4.71451566    -13.49735863
  H     15.98074622     10.38025710    -18.45786702
  O     18.57095191      7.76066375    -11.57802017
  H     16.50275809      8.65974702     -8.24648931
  H     15.06122378     10.31728554    -17.21713743
  O     18.15223407     10.53105391    -11.23907737
  H     17.14581794      7.25304366     -8.34906940
  H     11.48925332      5.82729047    -12.78513446
  O     16.63498893      5.06183071    -14.68271657
  H     16.21403002     12.03117064    -16.44663396
  H     13.03032603      5.78403722    -12.79116615
  O     12.63579554      7.85004495    -10.24686708
  H     16.52324523     12.27205377    -14.95847056
  H     13.80709973      6.00448556     -7.49816833
  O     18.62633691      6.86190556    -14.25252397
  H     15.60986976      7.73879028    -12.84607574
  H     14.90628236      6.89659232     -8.12387429
  O     13.51314814     12.82466101    -15.14277073
  H     15.34372955      8.52669910    -11.51543396
  H     15.08885937      5.60020351     -9.72964518
  O     12.93329376      8.60060824    -14.35487574
  H     13.72378848     11.63920940    -13.71492245
  H     15.70599571      6.26237496    -10.98972932
  O     15.98653812     10.41184154    -17.50486669
  H     13.55125528     10.10837561    -13.53790241
  H     18.66744012      5.21263794     -9.08150288
  O     12.26484213      6.37343124    -12.67870194
  H     18.66600413      7.17406230    -10.81947473
  H     17.36267330      5.64619738     -9.78840339
  O     14.12585254      6.34903820     -8.32790624
  H     17.61421615      7.83821795    -11.72521657
  H     15.69770245      6.65550934    -14.79709276
  O     15.69149492      5.44237829    -10.46793080
  H     17.66384154     10.53708830    -10.40775519
  H     16.10456357      8.14044028    -14.99791188
  O     18.18919127      5.97559228     -9.39651740
  H     18.49951094      9.63428005    -11.33284309
  H     16.24878052     11.16802547     -8.42164259
  O     15.39104803      7.56378823    -14.69135685
  H     16.90747147      4.45336566    -15.36456810
  H     15.65576506     10.26547740     -9.53065508
  O     16.42663213     10.39281796     -8.94874041
  H     17.40504462      5.62904938    -14.49482854
  H     17.09914329      9.56378323    -16.25742647
  O     17.47794788      9.19241051    -15.45049432
  H     12.49123194      7.31035569    -11.03371202
  H     17.34403723      9.85583853    -14.75599570
          69
 Energy    -250.11233231822709     
  O     -0.16475566      0.37203304     -2.84768504
  H      0.37325228      1.17003920     -2.73059844
  H     -1.68036559      0.18427132      2.62340709
  O      1.27839440      2.66469576     -2.29467572
  H      0.41341625     -0.38003052     -2.68679828
  H      0.35790102      0.26015528      2.22295564
  O      4.09910629      1.48966521      3.51402199
  H      2.19115048      2.66104807     -1.98528712
  H      0.44509159     -0.96742973      3.14741249
  O      0.52360660      0.66072751      0.50478342
  H      0.75948323      3.04580037     -1.57298118
  H      2.84025307     -1.44753007      2.39441219
  O     -2.71834883      0.59064003     -2.07673755
  H      3.86169451      0.64920011      3.08530081
  H      3.45956275     -0.62139374      1.24550175
  O     -2.84011309      2.30023088      0.17668543
  H      4.97263830      1.36594711      3.87790759
  H      2.90504533      2.57468837      4.48479685
  O      1.68451728     -1.75953653     -2.13879260
  H      0.31619657      1.58021347      0.29167387
  H      2.38960321      4.01762581      4.33721569
  O     -1.80141976     -1.00530199      0.03948897
  H     -0.20049036      0.10966690      0.18325782
  H     -3.12510572      3.74476810      1.44655219
  O      3.90772959      2.51147289     -1.13753000
  H     -1.80611380      0.54556900     -2.42114098
  H     -3.16263761      3.70753187      2.98605202
  O      3.63302174      3.34720624      1.40781089
  H     -3.30042826      0.47110982     -2.82170033
  H     -1.22304323      4.53596045      2.43096609
  O      0.31994535     -2.79709496      0.15550531
  H     -2.74789637      1.65577693      0.89242515
  H     -0.22106721      3.63142461      3.18560182
  O     -2.56580970      0.43958822      2.32432255
  H     -2.91729583      1.79540877     -0.64281902
  H     -0.07207213      1.42088117      4.06866937
  O      0.07533702     -0.07983958      3.08692582
  H      2.25588960     -1.18406169     -1.60169109
  H      0.62827699      2.61395490      4.77507880
  O      3.52613342     -0.80094812      2.19267998
  H      2.25037420     -2.19539334     -2.77126918
  H     -2.01936221      2.37481528      4.52099396
  O      2.29948229      3.22041167      4.87269516
  H     -2.21311780     -0.58207496     -0.72465324
  H     -3.39159040      2.37780384      5.23249456
  O     -3.00779473      4.29247850      2.23337076
  H     -2.23954171     -0.65740482      0.82674615
  H      2.12377785      0.22496667     -0.10793943
  O     -0.27872174      4.36902617      2.56314572
  H      3.80776065      2.86208016     -0.23340869
  H      3.41798073      0.77328824     -0.76132495
  O     -0.23097769      2.28736533      4.46964811
  H      4.69117020      2.91341693     -1.50235650
  H     -0.11117058      3.72414924      0.82845577
  O     -2.98069689      2.35648561      4.37199236
  H      3.19684298      4.08986396      1.84061424
  H     -1.17409836      3.02585186     -0.04678393
  O      2.98887969     -0.03839481     -0.46397712
  H      3.82209496      2.70546128      2.10356031
  H      1.34642506     -3.42380463      3.07460109
  O     -0.23921626      3.27374787     -0.01520455
  H      0.79579247     -2.57635842     -0.65350746
  H      0.98196274     -2.69435340      1.76070230
  O      1.32280513     -2.56380469      2.66415071
  H     -0.51427181     -2.30908526      0.10734670
  H      1.31394522      5.10314035      2.74936005
  O      2.24656669      5.33384362      2.90214708
  H     -2.91523153      1.00576106      3.02268064
  H      2.28691263      6.28459421      2.96339833
          69
 Energy    -250.11219676695274     
  O     17.63050356     10.69324043    -16.58198743
  H     17.33215734      9.86086973    -16.18290646
  H     16.00338951      6.28032578    -17.15415682
  O     15.02192786      5.71793353    -13.88846174
  H     18.46376355     10.48210864    -17.01689134
  H     18.13004211      5.76157995    -12.99192293
  O     18.25599354     13.55130120    -11.79176934
  H     15.77079331      5.74132453    -13.28261277
  H     17.61975403      5.04881228    -11.72149815
  O     19.80232012      8.50852696    -14.78251911
  H     15.40252058      5.61316710    -14.77319822
  H     20.97478965      9.80046183    -17.53979248
  O     15.77251152      7.53667907    -18.49982419
  H     18.88263580     13.03902682    -11.26516611
  H     20.12419557      9.15666776    -16.41848112
  O     17.26061241     10.67035712     -9.71012555
  H     18.28601723     13.17255600    -12.68066881
  H     16.45305359      8.60235077    -14.55753085
  O     15.29170678      9.22486843    -13.29174450
  H     19.87417471      9.02942277    -13.97166649
  H     16.80863490      7.47458514    -15.57077498
  O     18.10606544     11.90940309    -14.09722111
  H     18.84915788      8.38930415    -14.93285322
  H     14.88886628     11.72822724    -15.38254018
  O     19.36636309      5.77938065    -14.23825603
  H     15.16243551      8.04553562    -17.93438772
  H     15.81697863     11.32378641    -16.54199740
  O     13.22673551      7.68903350    -14.32864496
  H     15.34083977      7.44649240    -19.34533050
  H     17.34465265      7.54911859    -11.67326542
  O     18.89195717      5.00538633    -16.93773968
  H     17.15598423      9.85621411    -10.22070507
  H     16.48236027      8.76294128    -12.08305340
  O     16.26725934      5.81637610    -16.34842967
  H     16.62569087     11.30749980    -10.05953458
  H     13.71075379      8.43132733    -16.05570673
  O     17.44516693      5.78677482    -12.30089519
  H     14.47196346      8.80442398    -13.57826196
  H     14.25955172      9.74448368    -16.67292506
  O     20.09488792      9.49959209    -17.32869469
  H     15.20387986     10.18273287    -13.38744217
  H     20.29743386     11.69048584     -9.48573811
  O     17.09877737      8.32333082    -15.21978183
  H     18.55223500     11.21787574    -13.58912347
  H     18.87467108     11.29253240     -9.95258317
  O     14.88751226     11.39644661    -16.28808313
  H     18.03676508     11.59256645    -15.00664141
  H     18.65898432      9.42738601    -12.15326361
  O     17.22757525      8.49461437    -11.52351005
  H     19.71150927      6.67216385    -14.36839148
  H     19.68350958     10.52239807    -11.75782287
  O     14.06881267      8.81389133    -16.86310244
  H     19.26352273      5.41281532    -15.12464844
  H     16.64354367     13.20924825    -11.16637633
  O     19.73456167     11.64121142    -10.25309294
  H     12.34180174      7.43380024    -14.08338905
  H     15.36882694     13.56305859    -10.36389739
  O     19.38152155      9.97641116    -12.49320910
  H     13.80437929      6.92624144    -14.14117378
  H     15.31623586     12.31080368    -12.61860108
  O     15.77966014     12.86790841    -10.87148173
  H     19.25790711      4.30688982    -17.47333167
  H     16.32666504     11.99085142    -13.73767612
  O     15.38315813     11.96332222    -13.51581731
  H     18.88705952      5.81009365    -17.48789669
  H     19.11890688      8.07859273    -18.12481924
  O     18.63794390      7.28184699    -18.37722548
  H     17.11813117      5.39763935    -16.52944152
  H     17.70635656      7.52117899    -18.46083057
          69
 Energy    -250.11206940795719     
  O     16.07029168     10.25001867    -15.22750312
  H     15.58729293      9.51881613    -15.60277965
  H     17.00131803     12.62102227    -16.91842735
  O     16.72633745     16.92356589    -15.34271292
  H     16.51889585     10.70075818    -15.96542078
  H     19.59758355     11.18214071    -10.15814738
  O     20.11714592     12.24571245    -17.34669898
  H     16.67874509     17.72628269    -15.85681365
  H     19.35678725     11.11812941     -8.62994681
  O     19.87979204     14.09530485    -10.46762135
  H     17.42131391     17.06851033    -14.68206972
  H     21.08204007     17.53205646    -11.31293378
  O     15.24505921     13.65860322    -11.67211720
  H     20.78623587     11.80415680    -17.86419485
  H     20.87156276     19.05275979    -11.50743910
  O     20.34968679     10.64467525    -11.64174467
  H     20.54105258     12.50970198    -16.51312286
  H     22.50611326     13.63010325    -12.23128977
  O     16.70572752     11.31031257    -10.91142579
  H     19.62124872     13.30557779     -9.97670271
  H     21.06524627     13.41781010    -11.72108346
  O     20.58113532     15.96568503    -15.38280949
  H     19.09667521     14.40235879    -10.94527824
  H     17.48268207     10.78588357    -12.40633010
  O     21.68541395     16.21398397    -10.35543367
  H     14.38805370     13.92871865    -11.35341483
  H     17.37021246     10.32586131    -13.89033196
  O     21.09926308     13.28079442    -14.99173295
  H     15.11363979     13.32482553    -12.57803249
  H     18.25200369     14.81919046    -17.12245583
  O     15.01352251     12.74449729    -14.22393886
  H     19.64557820     10.53461108    -12.29533029
  H     19.48184065     14.06801954    -17.64619590
  O     17.30790900     11.72958382    -17.12960647
  H     20.94267642     11.33013019    -11.97337724
  H     22.05133818     16.62979332    -14.46333580
  O     19.13367552     11.61073896     -9.41508933
  H     16.20035597     12.12390754    -11.02453979
  H     22.09840598     17.51099023    -13.20584676
  O     20.79445806     18.21161251    -11.94948139
  H     17.41351587     11.49426085    -10.28176090
  H     18.39225249     16.30821060    -12.89216350
  O     21.73425282     13.05617123    -12.31979486
  H     20.10866556     15.75847868    -16.20192258
  H     19.40340915     17.49232349    -12.93513640
  O     17.99323485     10.62245002    -13.21669355
  H     19.92991331     16.29919704    -14.75116670
  H     23.37153555     15.71979966    -12.74326574
  O     19.12972224     14.95419470    -17.49743085
  H     21.04370749     15.49692184    -10.25404187
  H     24.62990614     15.11690135    -12.07401168
  O     22.64029359     16.93719430    -13.76094614
  H     22.45159425     15.82276199    -10.79181679
  H     18.29163211     12.28100968    -13.79800614
  O     18.77436640     16.98824049    -13.46622228
  H     21.03524688     14.23925111    -15.12199637
  H     19.38107593     13.21750309    -14.40411483
  O     23.67835910     15.06329855    -12.09188285
  H     21.41146198     13.13155464    -14.08873998
  H     16.62648729     15.19248400    -15.75759845
  O     18.47228971     13.18751386    -14.08378074
  H     15.41697186     13.32920594    -14.87651626
  H     17.36194844     13.89005406    -15.29637995
  O     16.74706384     14.25215453    -15.95598256
  H     15.25844531     11.84958538    -14.48788933
  H     18.02935272     14.24907179    -12.76890856
  O     17.74789170     14.84672077    -12.05688760
  H     18.26532629     11.79796708    -17.23013792
  H     16.84832098     14.58426540    -11.82923965
          69
 Energy    -250.11145723116675     
  O      2.88058494     -0.94659371      6.53613648
  H      3.60356223     -1.12985247      5.91997009
  H      3.29802773      2.78619125      3.27632720
  O     -0.63670270      0.86807580      7.42553426
  H      2.54770669     -0.06082242      6.34453734
  H      1.32387226      1.77571028      2.91504478
  O      0.71135103     -4.96025191      2.81135735
  H     -0.64354685     -0.02471297      7.80464566
  H      0.69125446      0.36101730      2.91878753
  O      2.68752089     -5.10706499      7.22451512
  H     -1.06578587      1.43539397      8.06289982
  H      5.25214161      0.58029663      0.64996183
  O      4.77522249     -1.54177806      4.63120157
  H      0.00253204     -4.39568805      2.48450604
  H      4.41870345     -0.29921999      1.60590601
  O      4.16075550     -4.24395859      5.12868319
  H      0.55222884     -5.07610868      3.75940524
  H     -1.05753345      1.10734519      4.18835679
  O      1.84847804     -2.66072463      8.42305472
  H      3.26171216     -4.80893074      6.49524124
  H     -1.47919959      0.90424241      5.65760097
  O     -0.63771833     -1.66464151      8.60643160
  H      3.13447406     -5.83685954      7.64461055
  H      4.03570262      3.66644717      5.63349397
  O     -1.71928166     -3.59634793      6.73234270
  H      5.27602674     -0.71506767      4.57563864
  H      3.12071088      2.43164895      5.48499079
  O      3.62444505     -1.85522798      2.05247661
  H      4.35295498     -1.65527850      3.76972671
  H      0.89055974     -3.15622698      5.17416328
  O      5.80585152      0.95152371      4.15409674
  H      4.52233309     -3.34968432      5.08137851
  H      1.59329738     -1.81732694      5.56127082
  O      2.89030040      2.52379446      2.44193253
  H      3.90685218     -4.46860400      4.22577437
  H      3.67320180     -5.37559263      1.88568875
  O      0.62870965      1.23720525      3.32121195
  H      2.32544586     -2.02267113      7.87180326
  H      2.40200480     -4.75207558      2.50651589
  O      4.78873431      0.59021635      1.48409201
  H      2.12913149     -3.53209207      8.12131893
  H     -0.84545602     -1.97475220      4.74117702
  O     -1.79763794      0.83829378      4.74987991
  H     -0.96858420     -1.84640551      9.48296882
  H     -1.97062459     -0.94576781      4.52431474
  O      3.90182960      2.87554484      5.11674956
  H      0.26096486     -2.04104799      8.56723558
  H     -1.60201113     -2.66266489      2.87814844
  O      0.94963467     -2.21516198      4.96486167
  H     -1.99668096     -3.06621969      5.97304432
  H     -2.08625718     -3.13881251      1.48979332
  O      3.36275834     -4.63240328      2.39638724
  H     -1.40687925     -2.95932684      7.38539007
  H      1.11794412     -5.09788774      6.21508120
  O     -1.77698823     -1.89283645      4.48465964
  H      3.65002391     -2.82037290      2.05992736
  H     -0.35826621     -4.58646433      6.05814813
  O     -1.30755063     -3.03965535      2.03105117
  H      2.68503000     -1.61753559      2.06745361
  H      1.29494262      1.35495607      4.98745316
  O      0.42256957     -4.89891089      5.57651181
  H      5.24208525      1.63356873      4.53951116
  H      0.90865495      1.34793678      6.48986822
  O      1.65006831      1.46300645      5.88348114
  H      5.58385451      0.92584740      3.21448787
  H      0.20677295     -1.85763063      2.00766829
  O      0.95101912     -1.37209835      2.37965758
  H      3.51033421      1.90993489      2.02935679
  H      1.03328204     -1.68754378      3.29590394
          69
 Energy    -250.11127793972037     
  O     12.49788294     13.15947395    -12.11252472
  H     11.69925571     13.59996931    -11.83258018
  H     17.03590294     11.60707205    -18.16926821
  O     20.35114884      8.35534167    -11.48316306
  H     12.57650199     12.35770734    -11.56982220
  H     13.33296095      8.66062019    -13.01002673
  O     18.08271720     11.63845285    -13.32812540
  H     20.37702726      8.32140982    -12.45643678
  H     12.37728629      9.51473975    -13.84880371
  O     16.34785502      7.94061388    -10.80994456
  H     21.25621791      8.33538909    -11.18394964
  H     15.26824148      9.87128852    -13.41964147
  O     14.03866073      8.51791271     -9.35492617
  H     18.01589631     12.59935581    -13.35895201
  H     14.84074310     11.31610062    -13.85940876
  O     18.40855038      6.25060271    -11.65179492
  H     17.17263495     11.31498047    -13.44485876
  H     13.31097518      9.76235880    -16.05483095
  O     13.55368778     12.40408161    -14.62634566
  H     15.60512221      8.12570068    -10.21902111
  H     11.79335754      9.84492557    -16.33798398
  O     16.81277719      7.71936186    -15.31247749
  H     16.92958336      8.71276043    -10.81704166
  H     19.79700152      7.26138924    -14.34471559
  O     18.18594652     10.09292452    -10.97342521
  H     13.39348960      7.96585883     -8.91807042
  H     19.80088748      8.75610493    -14.72271252
  O     14.88458624      9.32166300    -16.65171093
  H     13.54378206      9.26819441     -9.71127651
  H     15.03450546     13.13151275    -15.46005662
  O     18.56325457      5.77484673    -14.31476661
  H     19.13416813      6.86118352    -11.47203423
  H     16.40054536     13.74447407    -15.08022291
  O     16.86346305     11.28859295    -17.28709196
  H     17.61954950      6.68047405    -11.29489371
  H     17.66982535     15.19900642    -13.37253379
  O     12.56235316      9.24398289    -12.94316005
  H     13.08898470     12.68955511    -13.82992941
  H     16.53105088     14.29507194    -12.84853641
  O     15.51191999     10.80487747    -13.39343548
  H     13.04732878     11.68714972    -15.03205732
  H     15.48653102     13.24606786    -11.18967846
  O     12.46091768     10.08056842    -15.69956451
  H     17.40722617      8.48293569    -15.32919769
  H     14.29931677     13.93841291    -11.86388982
  O     20.26067094      8.09380728    -14.19061795
  H     17.35541707      6.95793062    -15.07245530
  H     18.51308772     10.55284464    -14.70951467
  O     15.91289644     13.33987300    -15.80695418
  H     18.96990529      9.53077176    -11.01614705
  H     18.07746852     10.38557299    -16.17958706
  O     17.26273471     14.34472327    -13.48915058
  H     18.23275518     10.65884303    -11.75723595
  H     12.84736996     10.24657597    -11.51560641
  O     15.24181899     14.03575529    -11.69241956
  H     15.49674755     10.01114997    -16.93691667
  H     13.94218827     10.99823370    -10.65182055
  O     18.54236149      9.94131268    -15.45956803
  H     15.43965267      8.62476211    -16.28092700
  H     16.55411997     11.07814286    -10.48374611
  O     12.99564288     10.80332610    -10.73096207
  H     18.75047893      4.85534994    -14.48158586
  H     15.60692308     11.24127164    -11.68125357
  O     15.70441707     11.45282480    -10.73716603
  H     18.46204057      5.87139660    -13.35030561
  H     15.49462553      7.92765023    -12.39434404
  O     15.02689895      8.06073564    -13.23069249
  H     16.54693021     12.05180083    -16.77101176
  H     15.63247915      7.83492543    -13.94836739
          69
 Energy    -250.11123785617403     
  O     17.33713061      7.84671282    -16.16301227
  H     17.99133285      7.94484845    -15.46240054
  H     17.85326169     10.55917037    -17.70289612
  O     15.19643790     10.26948050    -11.24629200
  H     16.50829544      7.61872512    -15.72245003
  H     14.19030388     10.71190260    -18.91491823
  O     17.89613200     15.39276720    -14.43416636
  H     14.80274686      9.76871254    -10.52121281
  H     15.45166673     10.58544735    -18.02322832
  O     14.94826577      7.62387569    -14.64134421
  H     14.47261064     10.48691823    -11.85225051
  H     18.48871181     13.99805090    -13.30013771
  O     13.86771638      8.51066950     -9.50680371
  H     16.92438856     15.34939043    -14.47103599
  H     18.91282920     12.51142097    -13.30069881
  O     14.98002186      6.51816193    -10.98875407
  H     18.12185025     16.31093651    -14.30701580
  H     18.22485981      8.30376020    -13.29648707
  O     16.27200073     11.65137448    -14.51054597
  H     14.23614977      7.14605597    -14.19939984
  H     19.66129568      7.75820295    -13.47709744
  O     13.07845715     10.99675372    -12.95743286
  H     14.58610417      8.46958705    -14.94450977
  H     12.25231292      5.83716685    -13.19932150
  O     16.63836552      8.25303951    -12.54118932
  H     13.78958007      8.30642017     -8.57924544
  H     12.56589471      7.23527366    -12.61350207
  O     18.98715249     11.07255906    -14.53565934
  H     14.27230334      7.73463997     -9.93507629
  H     14.56082730     13.51564104    -12.28540418
  O     14.15447538     10.16323809    -15.37194533
  H     14.32006081      6.31586788    -11.66418894
  H     13.27582467     14.31647039    -11.96231729
  O     17.05278840     10.03789680    -17.82083677
  H     15.69744782      6.96837400    -11.45326549
  H     17.20508186     13.78993388    -17.02026142
  O     14.53420737     10.92035171    -18.05150773
  H     16.17763552     12.10336224    -13.66466736
  H     18.20719009     14.50604669    -16.10301598
  O     18.64788367     13.23919849    -12.72304353
  H     17.20010984     11.39341964    -14.58481605
  H     17.04471677     12.96263494    -12.02053211
  O     19.02030423      8.35479541    -13.85483615
  H     13.13245387     11.95895729    -12.91773605
  H     15.97093933     11.92836572    -11.49580511
  O     12.96282044      6.45054128    -13.03245232
  H     13.31501778     10.72958058    -13.85733324
  H     15.78704014     12.70007592    -15.92558034
  O     13.68527653     13.77075930    -12.62991386
  H     16.06454271      8.03570731    -13.29191127
  H     15.04742283     12.57315007    -17.27197533
  O     18.14589060     13.98762925    -16.91394945
  H     16.24068628      9.01261613    -12.09536777
  H     12.25124368      9.51420275    -12.16479760
  O     16.09805924     12.80215620    -11.88938187
  H     19.23840503     11.19495597    -15.46069092
  H     12.52109669      8.67265635    -10.89798562
  O     15.46682284     13.21180577    -16.68535578
  H     19.10169219     10.13962945    -14.31525648
  H     15.12555441     14.58316242    -15.48345512
  O     12.05672205      8.66616090    -11.74393955
  H     14.95273996     10.61585543    -15.05257998
  H     14.58268312     14.74239867    -14.04882261
  O     15.18519057     15.13418366    -14.69006100
  H     14.09592540     10.36260846    -16.31364280
  H     18.99519775     12.51047845    -17.17153030
  O     19.38774525     11.62124865    -17.24661075
  H     17.16743318      9.23322511    -17.29353274
  H     20.13426097     11.69689968    -17.83443438
          69
 Energy    -250.11095281739046     
  O     17.28367930      9.80953012    -13.85258405
  H     17.84625420      9.07728496    -14.13094370
  H     14.57571245      3.61086741    -11.64245739
  O     15.05518565      4.41261061    -16.17035692
  H     17.33004006      9.86711114    -12.88484681
  H     13.94011664      4.79071737    -13.27521841
  O     12.68378937      8.30743099    -12.96023992
  H     15.70356760      5.11450247    -16.35552588
  H     14.91947914      4.22115111    -14.32858834
  O     12.82896577      6.35335325     -8.96961376
  H     15.21097139      3.72144765    -16.80891168
  H     13.93641081      9.54397653    -10.33399630
  O     12.51907794      5.76454436    -15.92617457
  H     12.34391753      8.99046944    -13.54948771
  H     13.20561958      8.53788662    -11.25687709
  O     15.23503343     10.96626761    -15.30996923
  H     13.59375797      8.15424472    -13.26603944
  H     15.79095729      8.70877620    -13.84675909
  O     16.77981736      6.45347877    -16.65467355
  H     13.02424543      7.21463280     -9.36341333
  H     15.66950305      7.19298830    -13.60319998
  O     14.67768380     11.23846258    -10.57884727
  H     13.68185567      5.96540884     -8.73913242
  H     18.04019372      6.80108379    -13.86288789
  O     15.39838161      5.06486099     -8.79168701
  H     12.31241470      5.62452554    -14.99279435
  H     19.45487198      7.06111927    -14.43053749
  O     14.88839385      8.51908092    -16.65697083
  H     13.34802485      5.29993503    -16.08933380
  H     13.27507965     10.47461985    -15.09606720
  O     11.64818421      4.54620569    -10.60544952
  H     16.04941674     10.74687426    -14.83245983
  H     12.13724402      9.60915630    -15.66298840
  O     14.31616559      3.48641279    -10.72076699
  H     15.17257834     10.29083310    -15.99784174
  H     11.95930149      5.21194545    -12.30373462
  O     14.78815672      4.33386698    -13.37877847
  H     16.21375990      7.21397324    -16.84657965
  H     12.32787552      6.54272326    -13.02332431
  O     13.64086815      8.62762464    -10.39678978
  H     17.44198407      6.76122153    -16.02557806
  H     11.50798195      8.15565182    -17.70799760
  O     15.18387260      7.96011975    -13.92552726
  H     14.36818231     11.51286332    -11.45961319
  H     12.18554915      7.32672532    -16.59102705
  O     18.53939119      7.31415772    -14.52207474
  H     14.61494924     12.00608434    -10.01611627
  H     14.43212558     11.79024442    -13.80305145
  O     12.35319826     10.22556718    -14.95065049
  H     15.80034592      4.53984229     -8.10518894
  H     12.97474641     11.59362872    -13.41542154
  O     12.30214594      5.58038575    -13.12699285
  H     15.07740432      4.44439160     -9.47081813
  H     16.22659509      5.32739130    -12.92719283
  O     12.09393153      8.22448126    -16.95913236
  H     14.92089181      8.24380553    -15.72656734
  H     16.65931743      6.43361224    -11.91180147
  O     13.81133358     11.92211335    -13.07290229
  H     13.96800773      8.42663793    -16.93023307
  H     16.91019549      8.91871458    -10.79052746
  O     16.86766481      6.03422018    -12.76919388
  H     11.99368521      5.22192122     -9.99428345
  H     16.34372676     10.34983998    -10.88427056
  O     17.09773211      9.80120106    -11.13424128
  H     10.85131786      4.20003733    -10.21323180
  H     15.22996685      7.69764958    -10.44934757
  O     16.08211828      7.24013952    -10.41087344
  H     13.37178928      3.68464478    -10.68476689
  H     15.97461975      6.52003781     -9.77676530
          69
 Energy    -250.11088821504131     
  O     -1.07087054      5.48792088      2.34604812
  H     -1.28552633      6.39654788      2.53776368
  H     -1.35835764     -2.60169378      5.62099503
  O     -2.40058044      3.38213928      1.02366740
  H     -0.98985695      5.03048462      3.20340617
  H      0.33528192      2.48803751      1.87716062
  O     -0.60928612      4.10708931      4.63756487
  H     -2.10344446      4.22324270      1.38761151
  H     -0.55633418      1.66759209      2.86115227
  O      0.45829046     -3.84899150      3.32350160
  H     -1.73697756      2.73473717      1.30681047
  H     -2.83443781     -0.67021497      2.53207972
  O     -0.01489567     -0.45160646      0.40770492
  H     -0.89395038      3.18829461      4.72978326
  H     -3.73206539      0.50466936      2.94437983
  O     -2.46983319     -1.54857693      0.95120611
  H      0.35491581      4.09510476      4.69165750
  H     -1.90313326      0.83795432      4.19651221
  O     -4.49452916      1.65027304      1.78723635
  H      0.29494416     -3.56966329      4.23155308
  H     -0.44128831      0.70680454      4.71412678
  O     -4.12198462      0.00947724     -0.56079817
  H      0.99806227     -3.15400559      2.92459385
  H     -2.58712906     -3.45487456      3.38481200
  O      0.43108136      1.21182933     -1.80209771
  H      0.19808490     -0.10150933     -0.46412873
  H     -1.26558022     -3.88329153      2.72356133
  O      1.70080308     -1.51107467      2.27897157
  H     -0.12663020      0.32998385      0.97485457
  H      2.48898201      3.08745102      4.40528804
  O     -3.05408206     -2.33359353      5.00423615
  H     -1.58276714     -1.25118924      0.70485841
  H      2.89447402      4.50404874      4.87803991
  O     -0.43056193     -2.73438135      5.87280117
  H     -2.39287569     -2.40580794      1.39519894
  H      4.59843716      0.32253872      1.48199690
  O     -0.31668450      1.77861798      1.93212078
  H     -4.54679075      1.13691866      0.97136571
  H      3.26289268      1.01157889      1.12200740
  O     -3.15289617     -0.18288935      3.30466006
  H     -3.88968020      2.37702698      1.58583645
  H      0.51772847     -1.25973751      5.26124259
  O     -1.15008529      1.34135616      4.53483356
  H     -3.57663541     -0.61640934     -0.05327880
  H      1.12329118     -0.87482584      3.88691252
  O     -2.20680218     -3.73379749      2.54630787
  H     -4.74662304     -0.51302014     -1.05726139
  H      2.23721272      0.76075872      4.61019196
  O      2.23546390      4.02829042      4.38031117
  H     -0.48786045      1.51241214     -1.68149214
  H      3.21514758      1.10021379      3.46214911
  O      3.69377470      0.42288324      1.76678411
  H      0.57532465      1.15103638     -2.74258910
  H      1.74328803      4.11721226      2.59098473
  O      0.88521545     -0.52368273      4.75795934
  H      2.49194106     -0.98147787      2.12209461
  H      0.56112237      4.65770363      1.75729058
  O      2.86666968      1.42483152      4.30180989
  H      1.08355592     -1.26144575      1.57596206
  H     -2.27825161      2.58938538     -0.66536375
  O      1.32666178      4.07075624      1.71931322
  H     -3.91024365     -2.48711183      5.39671090
  H     -2.83197499      1.26671219     -1.21252128
  O     -2.15172875      1.93389158     -1.36411112
  H     -3.14322041     -1.53592057      4.45551960
  H      2.14690395      2.91709414      0.48221834
  O      2.47200342      2.12676515      0.03101802
  H     -0.43441641     -3.18716042      6.71275640
  H      1.79840562      1.87730288     -0.61256939
          69
 Energy    -250.10926974449427     
  O     17.55633683      8.52354180    -15.07794028
  H     16.97660027      9.29119281    -15.15191006
  H     18.75651013     12.57821050     -9.67954583
  O     16.99933849     13.17900887    -16.82938673
  H     18.35643494      8.75874679    -15.56418965
  H     20.18910848     17.03824173    -14.07366693
  O     22.37661506      9.75245278    -14.38395377
  H     16.57906424     13.41173532    -17.65287410
  H     18.76442606     16.44702057    -14.11659315
  O     19.08686554     14.32881205    -10.44651230
  H     17.89898936     12.87253936    -17.04812856
  H     21.65797490     12.43058250    -10.54823797
  O     15.12393533     11.83273698    -12.55687513
  H     22.19154313     10.66843167    -14.11106617
  H     20.71252264     13.62659716    -10.82751016
  O     21.42494874     10.76537316     -9.79606299
  H     23.30358082      9.71222195    -14.60557699
  H     17.86782515      9.05849569    -11.88149891
  O     16.79678662     10.06939973    -10.92202412
  H     18.44085847     14.09262083    -11.12821088
  H     18.14997715      8.47420048    -13.31642642
  O     19.94984628      9.92834209    -15.84293066
  H     19.23458306     15.27937047    -10.52243877
  H     19.75829489     11.48354231    -16.89534173
  O     20.70601020     14.18084233    -15.34209748
  H     15.44960697     11.54946557    -13.42773014
  H     20.10263501     12.98001310    -16.68942452
  O     19.71601594     17.00922857    -11.01184319
  H     14.17181185     11.78892041    -12.58910734
  H     22.16879748     16.26592127    -13.54886917
  O     21.53105523     12.23215396    -13.59223163
  H     21.38018962     10.11109208    -10.51624552
  H     22.72049255     17.05396127    -14.76263174
  O     18.67180399     11.62224969     -9.58850336
  H     21.84879120     10.33323742     -9.05929899
  H     17.58468477     14.38763958    -15.48254559
  O     19.30554901     17.12749430    -13.69565417
  H     16.15370722     10.64777216    -11.34180835
  H     17.76685498     14.39107139    -13.94124590
  O     21.58023516     13.25484485    -11.04612457
  H     17.38025791     10.63137504    -10.38835927
  H     21.46741308     16.33040730    -11.44473129
  O     18.56016466      8.73790747    -12.48180650
  H     19.52136070     10.37410692    -15.10011273
  H     22.19083087     14.97373860    -11.53500931
  O     19.54788354     12.37570859    -17.19955772
  H     20.82562758      9.69075811    -15.51369216
  H     21.66209483      9.10639280    -12.69252179
  O     22.00386263     16.49144538    -14.48254173
  H     19.79151171     14.40677451    -15.11821530
  H     20.30948606      8.76190433    -12.02259638
  O     18.04280092     14.83012343    -14.75836296
  H     21.23370015     14.97210724    -15.17504205
  H     18.85721713     10.43935817    -13.02084829
  O     22.22283437     15.88603220    -11.85009299
  H     19.50688125     17.84296842    -10.59944127
  H     19.84701671     11.59018743    -13.44562657
  O     21.22701707      9.01246832    -11.83894088
  H     19.49346608     17.09730946    -11.95598050
  H     16.52437738     11.84341140    -15.61021926
  O     18.93218761     11.28260839    -13.49238744
  H     21.31889912     12.93579121    -14.22157351
  H     17.32481783     11.24755105    -14.43383948
  O     16.47200691     11.20223042    -14.89020300
  H     21.62546499     12.62344995    -12.71276858
  H     16.55055242     13.03402151    -12.36247473
  O     17.43868198     13.39993527    -12.45576319
  H     19.57269615     11.27800936     -9.58984127
  H     18.01060876     12.65297432    -12.68681233
          69
 Energy    -250.10914320114608     
  O     13.65295409     12.38504095    -13.99713698
  H     13.49342975     12.14517388    -14.91769539
  H     16.96376868     11.47102313    -15.05600253
  O     14.69207984      6.51074634    -13.75167939
  H     14.60448311     12.51032374    -13.90331990
  H     15.70133186      9.60300886    -15.10695978
  O     18.15111580      8.28161118    -12.13801503
  H     15.55768764      6.13320093    -13.55628101
  H     14.20602516      9.17307488    -14.93441311
  O     12.48437758      9.03483823    -15.58292356
  H     14.86972922      7.41316133    -14.06067819
  H     12.79881682     11.79714480    -12.59510531
  O     15.52680432      7.97466558     -8.77303882
  H     18.26901890      7.99642713    -11.22353003
  H     11.73665059     12.13560058    -11.52426485
  O     13.12046074      7.19457946    -11.58740149
  H     17.44292316      8.94148728    -12.12475333
  H     16.98226451      5.16096415    -11.64369993
  O     16.05063531     10.09708796    -12.19961238
  H     12.47079568      9.91683459    -15.96990174
  H     17.30703693      5.74928863    -10.26001982
  O     15.72057331      7.30235044    -17.74729998
  H     12.02174551      9.05510134    -14.73032375
  H     11.87599211      8.31382608    -12.51897888
  O     14.29363349      5.53423659     -9.63165281
  H     15.00814685      8.66217471     -9.21012605
  H     11.66461853      9.84092210    -12.59847002
  O     13.54976846      6.57890093    -16.32481581
  H     15.04269691      7.15169341     -8.91856979
  H     18.60369685      8.11966196    -15.26663577
  O     17.86861770      6.55292168    -16.09961423
  H     13.36067733      6.58027865    -10.88331954
  H     18.78291021      8.73898003    -13.86560460
  O     17.07166217     10.78279510    -15.72207078
  H     13.62973242      6.91596391    -12.36311545
  H     17.65293394      6.71533561    -12.94407636
  O     15.09007632      9.10748407    -14.54957605
  H     15.39904782      9.97287246    -11.49819458
  H     17.56960744      5.97352453    -14.29766072
  O     12.33169366     11.44933541    -11.81488041
  H     15.65412609      9.73649851    -13.00905414
  H     18.64057707      7.37680756     -8.73205037
  O     16.75714066      5.09365907    -10.70748665
  H     15.61874197      6.97401461    -18.63769299
  H     17.18704200      7.64062002     -9.19318169
  O     11.47064969      9.01092178    -13.05039790
  H     14.92739875      7.01817335    -17.25721402
  H     15.39732091      9.23890597    -17.76478178
  O     18.85781814      8.93040584    -14.80940286
  H     15.13942370      5.29987161    -10.05421416
  H     16.02149368     10.50847190    -17.15487134
  O     17.37301715      5.88431057    -13.35793342
  H     14.00150096      4.76161194     -9.15552512
  H     13.38611687     10.29740078    -10.79560103
  O     18.06608965      7.34497280     -9.49212131
  H     13.84918516      6.30359194    -15.44846871
  H     13.65653570      8.77115945    -10.85993752
  O     15.28486182     10.19322729    -17.70089954
  H     13.03046211      7.38278679    -16.17584557
  H     16.39802981     11.67688881    -12.93449720
  O     13.96797782      9.60108019    -10.46621068
  H     17.12148209      6.83339135    -16.65020348
  H     17.00883940     13.09560014    -13.03620081
  O     16.48099661     12.45762930    -13.50946094
  H     18.45259919      6.05681375    -16.66998870
  H     12.74590712     12.08294995    -17.36374812
  O     13.14562954     11.53944208    -16.68979239
  H     17.79238760     10.20294401    -15.43087126
  H     13.89529577     11.08070493    -17.10965015
          69
 Energy    -250.10861879523080     
  O     11.80696890     10.92885642    -14.22577865
  H     11.43418323     10.35206703    -13.54955627
  H     15.27925000      6.03222374    -15.55058648
  O     15.88568585      6.57932577    -13.84568708
  H     12.08326253     10.35157415    -14.95182582
  H     18.71513979      8.30234496    -13.24411997
  O     16.91341099      9.72234476    -10.63377291
  H     15.54604614      7.46233079    -14.06658296
  H     18.69728972      7.53177706    -14.56799503
  O     17.49628532     10.44355128    -15.07667403
  H     16.83308147      6.69983373    -13.71804991
  H     14.91191537     12.28202202    -15.40547926
  O     12.14981415      6.55048263    -16.10489254
  H     16.23027523     10.14277808    -11.17698344
  H     16.25823026     11.62577337    -15.79565115
  O     15.25015534      8.52763429     -8.78132381
  H     16.45304479      9.39072836     -9.84967538
  H     15.85088433      9.55922486    -14.79200864
  O     14.10193091      6.41521820    -11.74205153
  H     17.97157538      9.77340904    -15.58550599
  H     14.34440803      9.17291265    -15.02731730
  O     14.86886797     10.68913642    -12.21207984
  H     17.91404831     10.46944088    -14.20702437
  H     11.67518004      9.07741884    -11.61577358
  O     16.39507755      8.04717014    -17.62870281
  H     12.02337629      6.55007733    -15.13831322
  H     10.13265374      9.17326748    -11.64326293
  O     15.75845421      5.78837197     -9.55325683
  H     11.44755575      6.02275808    -16.47487286
  H     17.49987415      7.91489515    -10.82094891
  O     18.71467115      8.23121058    -16.33153508
  H     15.38696238      7.57533427     -8.85723176
  H     18.17112679      6.91527967    -11.77740778
  O     14.93554583      6.03308716    -16.45370223
  H     14.44191873      8.71054836     -9.27733244
  H     12.56763330      6.46403957    -12.82627844
  O     18.59483216      7.41761651    -13.61410856
  H     14.75395153      6.40379074    -12.45856909
  H     11.43160320      7.48166906    -13.06863298
  O     15.44702651     12.00694940    -16.15917342
  H     14.55157373      6.07150060    -10.96087515
  H     18.17836544     10.02295933    -11.81920669
  O     15.08494117      9.11037821    -14.41098258
  H     14.92368224     10.06195027    -12.95095140
  H     19.59102493     10.47817816    -12.24456003
  O     10.90161488      9.10955925    -12.20439185
  H     14.56599764     11.51504159    -12.60468864
  H     14.90938524     10.95297398    -17.44035793
  O     17.78050005      6.99341985    -10.90057265
  H     15.85221666      7.31646564    -17.29444183
  H     14.51657291     10.71658182    -18.91880019
  O     11.84925114      6.69146813    -13.43060712
  H     15.79971627      8.77041798    -17.84810243
  H     13.76787861      9.60085581    -11.25218167
  O     18.78528888     10.08868094    -12.57561939
  H     16.53929939      6.12227560    -10.03171672
  H     13.56531001      8.05802256    -11.15014369
  O     14.61707955     10.27710873    -18.07874565
  H     16.04363460      5.02477631     -9.05917965
  H     13.04611153     12.10857776    -13.99998743
  O     13.24794893      8.91093385    -10.81554635
  H     17.89089181      8.10996410    -16.84073127
  H     13.46493471     13.57887102    -13.75749245
  O     13.81253788     12.69876877    -13.87414870
  H     19.43390335      8.12933902    -16.94852883
  H     12.61445678      8.32481985    -16.26356283
  O     12.89585483      9.24161999    -16.14864628
  H     13.97782697      6.11010543    -16.37337783
  H     13.36799926      9.52738358    -16.94112883
          69
 Energy    -250.10734863317441     
  O     12.43636819     11.72528042    -14.35890395
  H     13.22991347     12.25642796    -14.22591681
  H     14.11220478      4.69595096    -16.17735688
  O     15.12414169      6.29502370    -13.54208258
  H     12.18238009     11.36863462    -13.49847795
  H     17.14477190     11.41572173    -15.86746076
  O     18.20370195      9.82287769    -12.47900373
  H     16.05943337      6.47628934    -13.38008982
  H     15.91072153     11.25214990    -16.80047788
  O     18.73669786     10.58716596    -15.09412228
  H     14.65068964      6.46213770    -12.71456584
  H     14.23471505      9.13533811    -15.07479692
  O     11.90588796      7.25006251    -15.25941315
  H     18.43691144      9.68353665    -11.55298172
  H     14.87221702      8.02818731    -14.17472366
  O     16.01090915      8.96406851     -8.89376942
  H     17.32151032     10.22716401    -12.49120690
  H     10.76449078     10.72160071    -11.54245699
  O     13.90189232      7.03383005    -11.19812474
  H     19.61737966     10.93743829    -15.20453899
  H     11.51914753      9.54196520    -12.19904420
  O     15.68314950     10.81622395    -12.72520883
  H     18.64274911     10.36190536    -14.15371579
  H     18.03195158      6.48490402    -11.52792804
  O     15.51919526      7.52933296    -17.75433746
  H     12.56390669      6.63792713    -15.60445235
  H     18.36155855      7.30219772    -10.26606102
  O     15.68485560      6.12812853     -9.22819626
  H     12.10804604      8.10624380    -15.66346853
  H     12.22052918      7.38823590    -12.10661370
  O     17.39664417      8.22594757    -15.83269359
  H     15.29144991      9.35102555     -9.41058967
  H     11.61210151      7.59793467    -13.52044810
  O     14.17057681      5.63928711    -16.04398625
  H     15.82678968      8.01777718     -8.84923245
  H     17.81304717      7.25384309    -14.25156088
  O     16.32781163     11.83756288    -16.15625179
  H     13.96573075      7.98928951    -11.05567806
  H     17.91541169      8.03013522    -12.94256926
  O     15.00767195      8.91033824    -14.54113471
  H     14.40543256      6.61968449    -10.48658543
  H     19.12334558      9.47649791     -9.08119084
  O     11.60622230     10.47134584    -11.91424432
  H     15.41621846     10.15815785    -13.38832889
  H     17.64833781      9.16943884     -9.43446482
  O     18.03665413      6.44304095    -10.56323581
  H     15.47199532     11.68290478    -13.09181879
  H     15.11260756      9.21881340    -17.98917506
  O     11.54517366      7.87258820    -12.59372157
  H     14.99076056      6.87887537    -17.27665746
  H     14.83008703     10.39644947    -18.94902103
  O     17.79636994      7.13594094    -13.29308268
  H     16.32486894      7.64206279    -17.23006913
  H     14.67553774     10.20232863    -11.38235289
  O     18.55820156      9.16822783     -9.78438017
  H     15.72830041      5.39191565     -8.62420800
  H     13.18689125     10.09847803    -10.99586963
  O     14.92003534     10.17263921    -18.02610597
  H     16.53049117      6.14796191     -9.71093366
  H     15.10234049     14.01650418    -14.21781936
  O     14.07023329      9.80666057    -10.73850855
  H     16.55420521      8.50634548    -15.43825459
  H     15.43338446     12.68564508    -14.93781376
  O     14.96431671     13.07446812    -14.17651945
  H     17.98610171      8.98483768    -15.75314289
  H     12.63968145     10.47829959    -15.58833429
  O     12.86427075      9.70778202    -16.13378836
  H     14.52201212      5.77027096    -15.14740442
  H     13.43133785      9.99550774    -16.85758545
          69
 Energy    -250.10710892339154     
  O     -0.91906712     -0.90016604      2.85776716
  H     -1.77620096     -0.75318131      3.29439165
  H      1.24180302      2.42626620     -0.23274791
  O      0.01579357     -0.78312600      7.12149609
  H     -0.99279803     -0.46778137      1.99944163
  H     -0.33520365      5.66198258      3.74549541
  O     -6.81593739     -0.56981644      3.86047394
  H     -0.44777307     -1.56622671      6.77244899
  H     -0.90293441      4.54125243      2.84480734
  O     -5.02742496     -0.23204609      1.68797164
  H      0.60690017     -1.09211819      7.80255711
  H     -1.04885381      3.54460802      5.02036958
  O     -3.26053363     -1.77294939      0.07079561
  H     -6.43355412     -0.36207011      2.99826789
  H     -0.75782786      2.04660080      5.24932864
  O     -1.61865006      0.44242356      0.51848845
  H     -6.56885162     -1.48846483      4.01769834
  H     -0.85486560      3.52956515      0.82446481
  O     -0.99515623     -3.58312917      3.34836304
  H     -4.47613231     -0.35514931      2.47775268
  H     -2.33272622      3.52335658      1.25982320
  O     -1.35192517     -2.85892507      6.09381090
  H     -4.64539211     -0.80888481      1.01832959
  H     -1.45094760      0.37567869      7.50030451
  O     -4.00314526     -2.06696812      6.05835834
  H     -3.28393075     -2.00896575     -0.85372879
  H     -1.95321688      1.73902124      6.99521941
  O     -5.72642814     -3.22710926      4.19405048
  H     -2.63131744     -1.03792460      0.15144494
  H      0.85631050      3.37665700      3.23561592
  O     -3.59751945      2.16654828      1.51459320
  H     -0.84156616      0.98340168      0.32820608
  H      1.14906980      1.90505760      3.58381127
  O      0.52163962      2.21906039      0.35650084
  H     -2.28651615      1.04336473      0.88196378
  H     -3.57523297     -0.89827858      4.69693945
  O     -0.45146106      4.71727243      3.68947804
  H     -0.86412755     -2.64535416      3.12356171
  H     -3.46559188      0.56255296      4.13919939
  O     -1.32957149      2.77535808      5.53179878
  H     -0.25598777     -4.06156381      2.98135445
  H     -3.79995183      0.37472418      7.76494084
  O     -1.52633555      4.05605390      1.27366718
  H     -2.29740086     -2.65605805      6.14582191
  H     -4.97705726      0.07193143      8.72361249
  O     -2.19043682      0.99269985      7.55934381
  H     -1.20367761     -3.22570489      5.21550956
  H     -6.27248036      0.73665293      5.04850829
  O      1.31676787      2.58856068      2.92161270
  H     -4.38283950     -1.45782461      6.70489633
  H     -5.56948984      0.93814259      6.41493338
  O     -3.31865669     -0.36987266      3.93239046
  H     -4.71162610     -2.50164485      5.56656351
  H     -2.80409732     -3.63720410      2.74209061
  O     -4.68969664     -0.02014299      7.81937686
  H     -6.24783257     -4.02497820      4.16144510
  H     -3.55390718     -2.96466155      1.58139850
  O     -5.84846289      1.39775780      5.61541283
  H     -5.03127993     -3.32209887      3.51909537
  H     -0.02212909      0.09558495      4.08536324
  O     -3.68623879     -3.48742051      2.38039090
  H     -4.26710596      1.48407660      1.38254148
  H      0.38372513      0.18108772      5.57980502
  O      0.37348123      0.67578409      4.75094768
  H     -3.62944312      2.35900497      2.46586222
  H     -4.52228287      2.17885754      4.77382583
  O     -3.74522794      2.36723130      4.22372357
  H      0.86767932      2.30552510      1.26342234
  H     -2.98837067      2.58436156      4.78121241
          69
 Energy    -250.10674308326728     
  O     13.98625591     11.24923141    -11.56574741
  H     14.72318124     11.25306280    -12.19394146
  H     19.19426077      3.60277099    -12.79924549
  O     15.70371831      6.82560609    -15.17618799
  H     14.35047104     10.91918110    -10.73778082
  H     18.67770799     10.55939743     -9.15973362
  O     14.74891040      5.02846859    -11.08518751
  H     14.74638376      6.93945533    -15.24383499
  H     18.26170290     10.34420146    -10.62803308
  O     18.32776171      7.26629774     -9.85561932
  H     15.84278272      5.97785427    -14.73093500
  H     16.05655048      7.76118111    -13.68105587
  O     15.42638320     10.88264823    -16.07213856
  H     14.74758370      5.97368915    -10.87273892
  H     17.21330647      7.86287536    -12.65667193
  O     12.28803496      7.59582227    -12.31194005
  H     13.82795920      4.79295014    -11.24536706
  H     12.58342836     10.66931332    -12.38741571
  O     12.92821468      6.96102107    -15.00434657
  H     18.17926362      8.19863960     -9.67528571
  H     11.10790130     10.90702736    -12.79087114
  O     14.60113984      7.77431631    -10.81311675
  H     18.66791614      7.24238920    -10.76255835
  H     14.09596303      4.15637471    -14.32505124
  O     19.61291867      9.03580815    -14.46517083
  H     15.27210163     11.54679394    -16.73836909
  H     12.71714667      4.28678154    -13.65366215
  O     18.89571362      7.12844047    -12.57124977
  H     14.56548915     10.46358208    -15.89084189
  H     12.62437402     10.00053351    -14.61435097
  O     17.42866331      8.84416685    -16.06049200
  H     11.97646102      8.49306350    -12.48357403
  H     12.96053350      8.76900115    -15.47506056
  O     18.57573427      4.32759345    -12.77797808
  H     13.07621862      7.68660067    -11.75549260
  H     16.50753885      4.67419481    -10.43937012
  O     18.00587071     10.15963408     -9.70699498
  H     12.91414860      5.99317895    -15.02732111
  H     17.72351610      5.53640981    -10.01181115
  O     16.32601534      8.18771586    -12.85654507
  H     12.72195735      7.19998037    -14.09047056
  H     15.50616275      4.72406549    -12.75483294
  O     11.83535651     10.29894326    -12.89059612
  H     14.76097193      8.46741115    -10.16499447
  H     16.81683646      4.34378785    -13.47346930
  O     13.15351709      4.24990241    -14.51387563
  H     15.23108159      7.92754272    -11.53627838
  H     11.99054653      5.82488618    -12.04262618
  O     13.07017684      9.72761287    -15.42486635
  H     20.36928333      9.21909946    -15.01566711
  H     11.19384048      4.60087959    -11.53875795
  O     17.46709666      4.66092825    -10.33840339
  H     18.84166565      8.98771221    -15.05865208
  H     17.80280617     10.98223190    -12.67244636
  O     15.88334723      4.53243431    -13.62554675
  H     18.89508768      6.19690000    -12.82370871
  H     19.08441798     10.18891276    -12.96526750
  O     12.03036913      4.86230384    -11.91559799
  H     19.28323725      7.65609719    -13.28068412
  H     15.11978854     10.23652914     -8.35160876
  O     18.64984705     10.71627957    -12.28640909
  H     16.80246587      9.57065782    -16.16264230
  H     16.22791912     10.11489938     -9.41977835
  O     15.27024029     10.04701447     -9.27470525
  H     16.88874267      8.05939555    -15.89318341
  H     16.16996939      9.95660188    -13.18905943
  O     16.09239932     10.91163138    -13.34329916
  H     18.23093853      4.37821863    -11.86575320
  H     15.90272872     11.02543320    -14.28211816
          69
 Energy    -250.10645758986507     
  O     -3.55110167      4.87987562     -0.82563524
  H     -3.87648335      4.33566517     -0.09626134
  H     -1.48681584      0.68735022      3.18773663
  O      2.59327763      0.50421934      4.58578347
  H     -3.29348542      4.26031101     -1.51979756
  H     -2.43035720      7.81105904     -0.50250845
  O     -1.08815140      3.29740188      1.09416912
  H      2.22659409      1.39306182      4.44249369
  H     -2.60749034      6.27726970     -0.40747787
  O     -0.04126547      3.86269558     -2.46418469
  H      3.04643099      0.52870626      5.42492340
  H     -3.18238278      0.54139868     -0.24206011
  O     -0.28326921     -0.38165640      0.25446994
  H     -2.00654474      3.18561947      0.82312954
  H     -1.76506291      0.24316135     -0.74317975
  O      1.44569164      2.91778869      3.96925523
  H     -0.50871658      2.93181169      0.41635981
  H     -2.56600554      5.03914258      3.31683601
  O      0.54851367      5.99084510     -0.81380791
  H     -0.94887328      3.57769193     -2.61743832
  H     -3.65777974      5.01112834      4.41235854
  O      3.54426400      0.22972329      1.90835469
  H      0.35458475      3.16811499     -1.91801495
  H     -1.11519161      2.65301735      2.72215779
  O      0.71518902     -1.44107470      3.57292485
  H     -0.71654380     -0.28233658      1.11290631
  H     -1.94559936      3.00202345      3.96755905
  O      2.66010453      5.57669844      0.79257326
  H      0.47875058     -0.95666155      0.40011052
  H     -3.11447863      2.58669250     -3.45405713
  O     -1.31843511      5.78454954      2.26743843
  H      0.50674661      2.68767990      3.97757155
  H     -2.67926077      2.06432473     -2.06797419
  O     -1.57839795     -0.18562137      2.78002516
  H      1.48588539      3.88217280      3.88017829
  H     -4.62830987     -0.31948917      1.71770460
  O     -2.05663835      7.02563209     -0.11312908
  H      0.35476409      5.29610195     -1.46122015
  H     -3.15845625      0.06172995      2.00222712
  O     -2.58802484      0.68605216     -0.98650350
  H     -0.29239791      6.41097674     -0.60959618
  H     -4.06188348      2.20558121      1.44793317
  O     -3.20216704      4.46458517      3.77772510
  H      3.37150283      0.26094357      2.85796473
  H     -3.83492296      3.54928158      2.19990367
  O     -1.25910395      2.40488349      3.65183819
  H      3.38856517      1.12925456      1.59217347
  H      2.75490244      3.76291501      1.13169850
  O     -2.72889428      2.86021238     -2.62549735
  H      1.15722343     -1.72125602      2.76194121
  H      2.19796732      2.83976185      2.24241136
  O     -3.95937261      0.33181135      1.52173830
  H      1.32329749     -0.82771027      4.00373312
  H      0.48976709      1.16299168     -0.31393008
  O     -3.95477595      3.15694603      1.32619599
  H      3.36916694      6.13148807      0.47947029
  H      1.50384122      2.28034776      0.07978167
  O      2.63419446      2.83697465      1.37986299
  H      1.89980133      5.73735966      0.20349193
  H      2.60819185     -1.08703737      1.26495530
  O      0.79589583      2.05125821     -0.53791251
  H     -1.09452755      4.95779014      1.81045488
  H      2.53630441     -2.50809852      0.65583883
  O      2.00091086     -1.80874388      1.02006348
  H     -1.58371914      6.39408350      1.56746588
  H      1.84574351      5.68217896      2.50680901
  O      1.32870874      5.57173563      3.31525498
  H     -0.86330575     -0.73173811      3.13873632
  H      0.42074310      5.78873042      3.06948172
          69
 Energy    -250.10633450076631     
  O     11.70845413      9.62337054    -12.09497143
  H     10.88849541     10.08999574    -11.95542788
  H     15.38557052      5.52987955    -16.95777610
  O     16.26213673      6.91737718    -13.82553149
  H     12.12500583     10.01586335    -12.88085962
  H     20.41464276      9.04569166    -15.28119993
  O     18.27044606     10.02293119    -11.11928765
  H     16.04918836      6.57222400    -14.70082816
  H     19.35946925      8.77409847    -14.18501536
  O     17.12840572     12.94104924    -14.54932991
  H     15.94551348      7.83649664    -13.81674551
  H     15.73010715     10.00871382    -12.99706878
  O     12.82976332      6.94632809    -15.80247494
  H     17.36704761     10.37633317    -11.14200319
  H     16.14505514      9.87862915    -14.50754702
  O     15.75600866      8.03552705     -8.52025857
  H     18.41186786      9.67635245    -10.23076392
  H     18.67410974      7.16573498     -9.71344888
  O     14.57000639      6.47532714    -11.67897102
  H     17.83909005     12.57140413    -13.99437530
  H     18.75539405      6.76148776    -11.19959666
  O     15.71883265     10.87430645    -11.37578631
  H     17.40915575     13.81666970    -14.80393410
  H     12.92340753      6.66008046    -12.58371912
  O     15.29895524      9.01498178    -17.36871614
  H     12.61748620      7.82430777    -16.13564881
  H     11.89568386      7.79559628    -12.74521308
  O     16.15335861      5.41643541     -9.62469355
  H     12.54399661      6.91782432    -14.87720721
  H     19.46627109     11.00149602    -13.79559591
  O     17.19778839     10.46313574    -15.87238142
  H     15.06206309      8.43836166     -9.05654862
  H     18.91631412     11.21192265    -12.37920381
  O     15.36335848      6.30037141    -16.39713584
  H     15.78322816      7.10455974     -8.77583593
  H     17.85776373      7.45767633    -13.15184988
  O     19.62195404      9.39687797    -14.88394399
  H     15.03652047      5.99750662    -10.98269132
  H     18.46676158      8.58598863    -12.23812105
  O     15.57366727      9.51999727    -13.81549682
  H     15.17403654      6.52934558    -12.43301092
  H     17.42403604      8.54996364     -8.54104842
  O     18.58909348      6.41481292    -10.31524570
  H     15.05303242     10.27916126    -11.00343627
  H     18.70946187      8.94808081     -7.77548739
  O     12.17480513      6.95293862    -13.11962305
  H     15.27721502     11.61458477    -11.81632058
  H     13.63147171      9.46229635    -17.11450353
  O     19.11974906     11.67784996    -13.20192610
  H     16.00055123      9.53900440    -16.96147511
  H     12.25320933      9.85375231    -17.69770706
  O     18.68316876      7.84037459    -12.81937368
  H     15.44547122      8.09964723    -17.10015069
  H     13.10305066      9.20774244    -10.91465790
  O     18.37669582      8.72917211     -8.64137628
  H     16.24291541      4.55870958     -9.21849033
  H     14.17767546      8.09666824    -10.94598059
  O     12.70014331      9.63530098    -16.88459912
  H     17.04489293      5.69157678     -9.90396847
  H     15.40266420     12.82911793    -13.66170834
  O     13.94349236      8.93764612    -10.52501101
  H     17.17853050     11.38244552    -15.57433248
  H     14.01159307     12.14679842    -13.61133905
  O     14.62392522     12.69657397    -13.10628618
  H     18.06070168     10.09735062    -15.63678589
  H     12.81408841     10.35962848    -15.19115693
  O     13.06950915     10.57336367    -14.28539345
  H     14.42492470      6.46384103    -16.18165987
  H     13.91171602     10.11647353    -14.13596821
          69
 Energy    -250.10619199159572     
  O     15.00626813      9.89735875    -15.36759487
  H     14.37348848      9.31850987    -15.78380415
  H     17.16774486     11.44357529    -17.45096963
  O     17.61271944     16.07558120    -16.07230776
  H     15.44384863     10.39552366    -16.08228944
  H     19.36065617     11.00767111     -9.01145004
  O     20.31268798      9.93318035    -16.11730075
  H     18.28281673     15.48292391    -16.46185171
  H     19.31465452     12.22392274     -9.96065177
  O     19.62799668     13.92022037    -10.39719294
  H     17.48438388     16.79113422    -16.68885107
  H     21.49025505     16.11885847    -11.70071155
  O     15.01785246     12.86647051    -11.39318343
  H     20.64314836     10.69073473    -15.60861132
  H     20.01790104     16.41814458    -12.04160442
  O     20.85041205     10.52475559    -12.07486333
  H     20.09062348      9.27817464    -15.44866568
  H     16.90291554      9.86346111    -12.72134957
  O     16.65088559     10.54404967    -11.12850131
  H     18.84869135     13.90355611    -10.97339011
  H     16.37966661      9.59502917    -14.18416035
  O     19.01725526     11.61897579    -17.80459565
  H     20.00168336     14.80646404    -10.50538166
  H     19.37957017     13.42443451    -17.17419832
  O     21.09635098     14.75502939    -14.58585587
  H     14.71263937     12.66783598    -12.29770903
  H     20.20205709     14.39544264    -16.27294043
  O     20.79394260     12.03163968    -14.43808718
  H     14.25743062     13.16932284    -10.90513432
  H     23.92107577     15.37352795    -12.44479563
  O     14.35417599     12.32776602    -13.94770300
  H     20.52311521      9.76466721    -12.57281743
  H     22.79161942     14.36206863    -12.13236261
  O     16.23525879     11.45841650    -17.20384556
  H     20.22345156     10.68167886    -11.35727837
  H     18.35002199     16.16165332    -14.33128083
  O     19.14495363     11.26866938     -9.90419565
  H     17.45688453     10.80141356    -10.66502888
  H     18.26949764     15.34861863    -13.01500851
  O     20.63460426     16.32123547    -11.30391689
  H     16.06574568     11.31152868    -11.11313887
  H     21.29314368     13.28703854    -10.98576681
  O     17.16293315      9.60555829    -13.62074198
  H     19.33749699     11.46700198    -18.69103458
  H     21.96932203     12.02927315    -11.54447218
  O     19.49970126     14.35017581    -16.93382834
  H     19.44929057     10.95493486    -17.24000061
  H     18.72829558      8.83383367    -13.66973874
  O     22.99259908     15.20492311    -12.57837057
  H     20.31904082     15.18017319    -14.19595529
  H     19.59073426      7.55728441    -13.53694630
  O     18.81357940     15.98204647    -13.50413940
  H     21.84585292     14.98687149    -14.02351252
  H     17.73271737     11.31031561    -14.04543174
  O     22.13371858     12.95351064    -11.32935540
  H     20.90485473     11.65051152    -13.55741967
  H     18.98390665     12.17081142    -14.37909038
  O     19.64254799      8.49942706    -13.67689988
  H     21.01182385     12.97172559    -14.40589734
  H     16.49878071     14.59428485    -15.74802615
  O     18.03572320     12.21277233    -14.20424850
  H     14.43964156     11.46077198    -14.35914879
  H     16.85446253     13.21299844    -15.14163813
  O     16.14218087     13.71886382    -15.56528419
  H     14.84671179     12.93545070    -14.51812383
  H     16.62373566     13.70676256    -11.80970656
  O     17.50390762     13.92723192    -12.13494094
  H     16.09132711     12.32837231    -16.80635375
  H     17.71170196     13.28151049    -12.82736125
          69
 Energy    -250.10554914487165     
  O     -7.69197992     -3.04687658      5.71189625
  H     -6.80414380     -2.79477627      5.98954035
  H     -7.25344804      0.30870872      2.98972025
  O     -8.34770400     -3.73273004      3.16786399
  H     -8.25469069     -2.27171067      5.85011098
  H     -4.44444709     -2.66044055      7.03079650
  O     -5.33158988      0.55157013      0.41987976
  H     -8.15352962     -3.52870437      4.09997596
  H     -4.52071970     -2.06045680      5.60694467
  O     -5.86696877      0.46565947      6.06969877
  H     -8.74621831     -4.59919868      3.15966473
  H     -0.84901084      2.79668972      1.59484730
  O     -5.22622327      5.07089735      1.40581193
  H     -5.59476449     -0.29664785      0.04639590
  H     -2.15721190      3.30196708      2.25094055
  O    -10.19890990      0.56083711      1.29586804
  H     -6.13864067      0.93161645      0.80180204
  H     -8.77465510      2.70824877      5.61262763
  O     -9.10689516     -0.63943156      5.57298479
  H     -5.50590016     -0.36539990      6.39999495
  H     -8.35868006      3.40363447      4.29605130
  O     -3.82031205     -1.80983328      4.04758776
  H     -6.24281149      0.25010760      5.19992114
  H    -10.37661530      0.32491861      4.48138937
  O     -4.08530782      3.04530144     -0.01273903
  H     -4.86838268      4.36502650      0.83777899
  H    -10.23734934      1.82057260      4.15473968
  O     -6.44019949     -1.94806868     -0.26602625
  H     -5.33650466      5.83946044      0.85262310
  H     -5.94737258     -2.44972249      1.47279903
  O     -3.52308217      0.59274118      2.55981517
  H    -10.93537520      0.84932860      0.76418255
  H     -6.67371060     -3.15240162      2.64789671
  O     -7.04320524     -0.31463201      3.69600803
  H    -10.44863240      0.70653030      2.22742040
  H     -9.38089347     -1.13511890      1.08851360
  O     -5.00793350     -2.16128825      6.44591333
  H     -8.45958966     -0.54364753      4.85600405
  H     -8.86125870     -2.45220359      1.73543331
  O     -1.78471803      2.62653921      1.65574330
  H     -8.92271559      0.07588338      6.19461293
  H     -8.09348552      1.85018550      7.98837299
  O     -9.12163843      3.09079146      4.79769523
  H     -3.58244124     -0.98096770      3.61429232
  H     -7.27354247      1.25171028      6.82043710
  O    -10.68761493      1.00800066      3.87674228
  H     -4.45029403     -2.23628562      3.44859542
  H     -3.79552495      4.78554359      2.69311809
  O     -5.89548188     -2.62660371      2.41992419
  H     -4.52017070      2.18247751     -0.02137681
  H     -3.60180195      3.77343383      3.83540674
  O     -8.87364943     -1.93843017      0.91974984
  H     -3.22370418      2.90002170      0.39726741
  H     -4.29266693      1.71436385      3.77166118
  O     -8.14625361      1.60012380      7.06949871
  H     -6.46185921     -2.47927448     -1.05721638
  H     -4.95819680      1.80065667      5.16210007
  O     -3.12229605      4.37862946      3.25234802
  H     -7.35199514     -1.91605412      0.07823258
  H     -8.51362213      1.31492034      1.47006762
  O     -4.66266979      2.33567734      4.41624560
  H     -4.14156036      0.50494960      1.82066142
  H     -7.47260356      2.29870252      2.14400089
  O     -7.57859953      1.48040324      1.63976091
  H     -2.80674370      1.16346204      2.25423616
  H     -6.39848049      4.23746603      2.59598933
  O     -6.82614247      3.62560745      3.20818416
  H     -6.62115590     -1.07850264      3.28658443
  H     -6.10951092      3.17999392      3.68326768
          69
 Energy    -250.10471284468343     
  O     13.43578009     11.95304938    -15.25349624
  H     13.49188425     11.14087959    -15.77626765
  H     18.62448484      6.56951141    -13.94685530
  O     14.67742876      6.58175791    -13.02859165
  H     14.32081017     12.33557323    -15.26171115
  H     18.00342871     10.45363102    -16.28320491
  O     17.62657113      9.69740887    -11.14760746
  H     14.01020632      7.00248568    -12.47016429
  H     16.83875521     10.14457928    -17.25790535
  O     19.21780809      9.53684890    -15.33216872
  H     15.49142421      6.56612507    -12.50510767
  H     14.90276402      9.00053522    -15.18253054
  O     11.80905254      7.56965304    -15.91040602
  H     17.20983266     10.20363348    -11.86290228
  H     15.16957743      8.00897118    -14.00334954
  O     13.07406427      8.05962751    -11.29695796
  H     17.10546032      9.87708427    -10.35675162
  H     11.21422375     12.18292741    -13.04923908
  O     16.20734769     10.95689947    -13.11133857
  H     19.53163794      9.53315485    -14.42163460
  H     12.44099197     11.72692035    -13.87784419
  O     16.01557069      6.08731874    -17.45440951
  H     18.83165359      8.66036534    -15.46920669
  H     11.52172636      9.67824694    -13.40185127
  O     14.95352713      7.33802738     -9.40712040
  H     11.65509691      7.95494153    -15.02804574
  H     11.87078423      8.35709283    -12.69487876
  O     17.68386372      7.20391416    -15.43754839
  H     10.95311197      7.33817908    -16.26055615
  H     20.74132794      9.42313615    -12.07593480
  O     14.04360565      5.82561971    -15.64420975
  H     13.56783074      7.68340296    -10.55378895
  H     19.20325037      9.36740723    -11.98093254
  O     19.05782376      6.44721508    -13.09077188
  H     13.38697175      8.97118989    -11.37481788
  H     17.67308534      6.57577118    -11.93153039
  O     17.26274694     10.85289609    -16.76633208
  H     16.26797911     11.68871843    -13.73463910
  H     17.11205231      7.87727308    -11.34119844
  O     15.54697457      8.73849078    -14.51359966
  H     16.02564261     10.16076106    -13.63717685
  H     14.96582173     10.43345622     -9.91602574
  O     11.90295488     11.52523986    -13.08980295
  H     16.15676459      5.24469568    -17.87720646
  H     15.43923410     10.74706664     -8.47949392
  O     11.46954124      8.71963704    -13.49548726
  H     15.29501551      5.96048645    -16.80915391
  H     15.91929666      7.81139016    -18.02998601
  O     19.95896610      9.15216652    -12.55063738
  H     15.20610602      8.23763883     -9.16729998
  H     15.95385650      8.80570148    -19.21041884
  O     16.92298125      6.93525769    -11.43628741
  H     15.66293712      7.01405860     -9.97836840
  H     13.23701757     11.09230309    -11.87814994
  O     15.59244726     10.16796786     -9.22206392
  H     16.98811789      7.78688415    -15.09722774
  H     14.75855565     10.86006725    -12.03560085
  O     15.80214602      8.74410550    -18.26984712
  H     17.27691198      6.70201698    -16.15001079
  H     16.55603028     12.10886182    -15.84167581
  O     14.01411988     10.73849387    -11.42788787
  H     14.27597154      5.91753933    -14.70984318
  H     16.57250951     13.60680566    -15.45428478
  O     16.16221725     12.77271851    -15.24479515
  H     13.22695304      6.32520336    -15.76227357
  H     13.05212744      8.82475934    -16.45640023
  O     13.74034818      9.49878625    -16.53037943
  H     19.52349150      7.27524559    -12.92153920
  H     14.34093946      9.25327668    -17.24540657
          69
 Energy    -250.10421666100564     
  O     11.98089540     10.08154560    -12.91360357
  H     12.35652854     10.94769301    -13.10498728
  H     19.60459361      8.67191699    -14.82397065
  O     16.64430648      6.85500927    -13.85936010
  H     12.12521262      9.55189003    -13.71098682
  H     13.64357550     11.16947407    -16.76343527
  O     18.09036742     10.61614321    -12.08994353
  H     16.18722849      7.67075762    -14.11830244
  H     14.99254928     11.71289481    -16.26765604
  O     16.70066440     11.02015729    -16.16945873
  H     16.34366407      6.65013268    -12.96429792
  H     14.43754883      8.97916123    -14.76670376
  O     12.68585294      5.84573474    -14.71021944
  H     18.14516313     10.35087591    -11.16457182
  H     15.75208947      9.73061959    -15.17974449
  O     15.05000145      9.20895892    -10.35392778
  H     17.15607107     10.82601883    -12.24429676
  H     11.55742718      8.59871786    -10.17834794
  O     15.87129827      6.60377350    -11.18161102
  H     17.11841268     10.45089329    -16.82916565
  H     12.18307847      9.14264145    -11.48613620
  O     15.39437233     10.95909819    -12.47021458
  H     17.40657103     11.35118313    -15.60083096
  H     18.89573248      7.23934728    -11.37312241
  O     15.36864105      8.06905477    -17.81104183
  H     12.06081823      5.13040521    -14.79078528
  H     18.37735399      7.82900588    -10.05258543
  O     18.03288843      9.12259270    -17.75511995
  H     12.89152625      5.93169475    -13.76156117
  H     12.85244478      6.95838831    -11.61734337
  O     15.20704306      5.91804353    -16.08796082
  H     14.11205411      8.98489364    -10.30498529
  H     14.15034602      6.14584668    -11.75822976
  O     19.70156232      9.21767371    -15.61541629
  H     15.12742566      9.86380432    -11.06352183
  H     19.36514419     12.55090906    -14.35642157
  O     14.03749997     11.85719007    -16.21411642
  H     16.78948889      6.53643803    -10.88317691
  H     18.68849866     11.39469770    -13.58839422
  O     15.34506383      9.17752183    -14.50106228
  H     15.57764554      7.48670318    -10.92101868
  H     18.68464721      8.91778207    -12.80294946
  O     12.34777697      8.57466925    -10.71085105
  H     14.75260071     11.62481986    -12.74025051
  H     18.24155978      7.57961891    -13.45014098
  O     18.53100114      6.99516297    -10.51254699
  H     15.35949046     10.26996924    -13.15419804
  H     16.71538048      9.43141118     -9.66284140
  O     13.24537823      6.21508100    -12.08943853
  H     16.29439719      8.33062232    -17.83857941
  H     17.72817265      9.86603353     -8.58093571
  O     18.88347937     11.73612559    -14.47667071
  H     15.32109197      7.27262535    -17.26044523
  H     13.96936660      9.04184996    -17.80438956
  O     19.01494381      8.07378756    -13.13589748
  H     18.65868650      9.04132876    -17.01381068
  H     12.71098591      9.53719516    -18.55872121
  O     17.66089863      9.56904012     -9.48519576
  H     18.55648481      9.11506492    -18.55228645
  H     13.01796136     13.37544384    -13.64774711
  O     13.15514238      9.57313012    -17.71647538
  H     14.34660088      5.78382378    -15.67425465
  H     13.56797272     12.28015269    -14.58884682
  O     13.36215082     12.48660957    -13.65907401
  H     15.81959762      6.07203931    -15.35625881
  H     12.61627020      7.63628967    -15.10432711
  O     12.68121360      8.59929907    -15.15137516
  H     19.59660627     10.12450670    -15.30440973
  H     12.69667841      8.86622430    -16.07931968
          69
 Ord_Energy   -250.104187    
 O   -6.51672697      0.170258299       2.19218516    
 H   -5.76103830     -0.434094757       2.27403903    
 H   -7.20257235     -0.193695560       2.76347423    
 O   -2.08192682      -4.34334230       1.71884632    
 H   -3.01637411      -4.27211237       1.47104764    
 H   -1.93301117      -5.26063108       1.99102437    
 O   -4.22505426      0.753450096       5.61672401    
 H   -4.16688395       1.40671456       6.30819845    
 H   -4.37517738       1.23758936       4.78315735    
 O   -4.76207304      -4.08240652       1.31043398    
 H   -5.13740492      -4.61973381       2.02368808    
 H   -5.47747469      -3.90023112      0.689319909    
 O  -0.782538772      0.100702956       2.06746650    
 H   -1.18152320     -0.189731255       2.89923406    
 H  -0.807491958     -0.666469395       1.48107743    
 O   -8.16637135      -1.29850280       4.00174570    
 H   -8.11767483      -2.13861203       3.50888538    
 H   -9.07396793      -1.18992984       4.27198648    
 O   -3.58161902      -6.67011213       6.17313671    
 H   -2.63408399      -6.50962782       6.07725954    
 H   -3.99398923      -5.79598093       6.13971996    
 O   -4.42967749      -7.81710911       3.85629439    
 H   -4.15620756      -7.49943113       4.73613024    
 H   -4.67192173      -8.73384190       3.95733118    
 O   -4.63740969       1.94548297       3.23719072    
 H   -3.95589805       1.97553194       2.55406857    
 H   -5.39436531       1.49582100       2.83721900    
 O   -7.88659763      -3.59913874       2.62041211    
 H   -7.32847023      -4.31228399       2.95469880    
 H   -7.70441389      -3.53367305       1.67445457    
 O   -2.66840219       1.85031486       1.19359887    
 H   -1.93257213       1.29832458       1.51212454    
 H   -2.27779174       2.59779453      0.747704208    
 O   -1.19623518      -2.13175535      0.349842578    
 H   -1.44452357      -2.93991685      0.826803148    
 H  -0.637387633      -2.40823269     -0.373164892    
 O   -4.53216696      -1.70008254       2.78435707    
 H   -4.97400761      -1.85437346       3.63097668    
 H   -4.62684202      -2.49269152       2.24298024    
 O   -5.85843611      -5.42012978       3.46053553    
 H   -5.50873041      -6.31875372       3.49368668    
 H   -5.44154024      -4.94404125       4.19403267    
 O   -5.72584534      -1.63133931       5.34762001    
 H   -5.29064131     -0.786813617       5.52527666    
 H   -6.61680984      -1.45156944       5.01972008    
 O   -3.48246074     -0.451850265     -0.359849900    
 H   -3.27703166      0.363060862      0.114087112    
 H   -2.76557541      -1.06115222     -0.154069915    
 O  -0.941288173      -5.89299822       5.43092394    
 H   -7.22756982E-02  -5.81001091       5.81482792    
 H   -1.20547259      -5.00296497       5.14109230    
 O   -6.21147823     -0.885576367     -0.395825416    
 H   -6.47301197     -0.372793317      0.378811032    
 H   -5.25474119     -0.759152710     -0.484940410    
 O   -4.49062109      -4.09113979       5.47802830    
 H   -4.95379591      -3.25397754       5.61451387    
 H   -3.61938572      -3.87963963       5.11514854    
 O   -1.89344597      -6.82480478       2.87012243    
 H   -1.46688366      -6.66353321       3.72069645    
 H   -2.74797678      -7.22113132       3.07849956    
 O   -1.93272889      -3.54611588       4.40230465    
 H   -1.93241704      -2.58120513       4.45028973    
 H   -1.97549355      -3.78327417       3.46478009    
 O   -7.05991220      -3.40139627     -0.112897210    
 H   -7.48310041      -3.70743513     -0.909699976    
 H   -6.79036856      -2.47737050     -0.272350162    
 O   -2.34434652     -0.828775227       4.19327927    
 H   -3.03190303      -1.08803880       3.55722785    
 H   -2.78902411     -0.251523137       4.82333517    
          69
 Energy    -250.10372012013340     
  O     19.02460572      8.03462666    -11.75444315
  H     18.18169178      8.50756533    -11.83766562
  H     15.95987713     10.13603725    -14.81742192
  O     12.84140163      9.47148143    -12.27110505
  H     18.96674527      7.29487126    -12.37320881
  H     15.86226161      4.99955885     -9.15423416
  O     19.97960287     10.68264815    -11.58462574
  H     13.29471167      9.98833594    -11.58049720
  H     17.12651619      4.11484941     -9.09918825
  O     14.29565970      9.50593605    -14.78471150
  H     11.91636546      9.69517109    -12.21546780
  H     13.87512375      7.95826445    -11.90695861
  O     18.40726635      5.94237611    -13.47249032
  H     19.82556144      9.73603729    -11.70593091
  H     15.40600311      8.07805017    -11.85373260
  O     18.35403452      7.11496792     -9.23624754
  H     19.48260777     11.13926552    -12.27419776
  H     18.87734982      5.42285043     -9.07004110
  O     17.70636859      9.54237979     -7.92344878
  H     14.40751388      8.58614475    -15.05748990
  H     19.67194468      4.27431423     -8.40833037
  O     15.55072818      6.84523716     -9.20729570
  H     13.77265429      9.50038071    -13.97488805
  H     17.38324024     11.88952351    -10.26761749
  O     15.00387923      6.83627568    -15.62630950
  H     18.75012945      5.17061283    -12.99945194
  H     17.12611973     12.14255987    -11.76770057
  O     18.20897859     12.18438851    -13.32836345
  H     17.44667619      5.83637843    -13.45692097
  H     19.01527818      3.94902873    -10.93005279
  O     17.73967450      7.77879914    -15.54219377
  H     17.39160061      7.01629382     -9.28137412
  H     17.95379530      3.41374774    -11.90241734
  O     16.91622704     10.23597034    -14.69332217
  H     18.66180373      7.42213769    -10.10153930
  H     16.58631886     10.12043935    -11.56752332
  O     16.18119911      4.09843714     -9.29592664
  H     18.19221805     10.27294555     -8.32486198
  H     16.68823170      9.56037273    -13.01388720
  O     14.67608014      7.44611067    -11.74660323
  H     18.08748699      8.72861927     -8.27713446
  H     19.42023319     11.30039504    -10.06354223
  O     19.00597312      4.45919006     -9.06542632
  H     15.17640942      6.98100375    -10.08952708
  H     19.55871393     12.31332123     -8.90083383
  O     16.69245696     11.88601887    -10.94275493
  H     15.28313004      7.61098906     -8.68531820
  H     15.68034567      4.59889715    -12.88307836
  O     18.85731300      3.74992072    -11.86083811
  H     14.62345704      6.29249161    -16.31193061
  H     15.22667135      6.08693266    -12.74367229
  O     16.63501445      9.30598281    -12.08219076
  H     15.16929127      6.25289850    -14.86674566
  H     15.98245681      9.46954890     -7.90621922
  O     18.97243038     11.66282608     -9.27759414
  H     18.47342383     12.90946034    -13.88845596
  H     14.66641435      9.49591715     -7.09317350
  O     15.60774153      5.43803582    -13.35454223
  H     17.76776639     11.53487212    -13.90372943
  H     14.40477112     10.29072280     -9.49092905
  O     15.01928931      9.32987110     -7.96363078
  H     18.15407406      7.14876765    -14.93925316
  H     14.94452038     11.33105938    -10.49345860
  O     14.17731009     10.78050080    -10.29100185
  H     16.85581300      7.43318794    -15.71899829
  H     15.64246894      2.25812227    -11.81265190
  O     16.01233581      3.13687021    -11.81913418
  H     17.33805574      9.44410262    -15.06014033
  H     16.00204624      3.45254380    -10.89748651
          69
 Energy    -250.10277797401875     
  O     -2.72591149     -3.27465818     -0.22060509
  H     -2.98115243     -3.36638173     -1.13531413
  H     -0.96453311     -5.71044168      1.09587895
  O     -3.28238698      2.19269499      5.52828315
  H     -1.81077493     -2.94141540     -0.21718255
  H      1.29489316     -5.17060974      0.31776552
  O      1.26667886     -0.41677868      5.91270951
  H     -2.44709667      1.71102152      5.45977047
  H      1.39501220     -5.82508606      1.70076142
  O     -2.01775045      0.49497527      2.32299345
  H     -3.92474860      1.54495217      5.84483613
  H     -0.30503059     -2.88321650      1.87170884
  O     -0.16800133     -2.88754577      6.39474456
  H      1.62851933      0.19199964      6.55131863
  H     -0.09611356     -3.63009158      3.24283011
  O     -5.05561622     -0.01611852      6.01063359
  H      0.42905733     -0.03097127      5.59956842
  H     -2.85584378     -6.78349000      4.06206137
  O     -2.73933743     -1.62367389      6.12666421
  H     -2.59777825      1.26382217      2.39068716
  H     -2.24688102     -5.90901556      2.93473643
  O      0.15635869     -4.93393899      4.59207847
  H     -2.58433269     -0.26010439      2.11465867
  H     -3.54625679     -2.15977471      1.06030550
  O     -5.41093414      0.13678629      3.31418410
  H      0.42279041     -2.13021556      6.30645776
  H     -3.61530025     -2.23800014      2.59784874
  O      0.43753654      0.04706687      1.02226843
  H     -1.05393066     -2.51743231      6.49301270
  H      3.06343609     -3.96411425      2.49078190
  O      2.44748357     -5.57833868      3.29920860
  H     -5.90124558     -0.04345846      6.45027137
  H      2.85894421     -2.42796917      2.42558180
  O     -1.91085362     -5.62879582      1.29120224
  H     -5.23747481     -0.01767997      5.05353663
  H     -1.70596071     -0.33147945      5.39440501
  O      0.82496487     -5.75297333      0.92627805
  H     -2.87809643     -2.22589919      5.37907851
  H     -1.37349369      0.38018567      4.04950013
  O     -0.39881499     -2.81061402      2.82965837
  H     -3.56062935     -1.12805299      6.23278560
  H      0.97465428     -1.67656595      3.14885539
  O     -2.38499818     -5.97154115      3.89966831
  H     -0.68889140     -5.38375586      4.47339785
  H      1.79885691     -0.85095394      4.15551359
  O     -3.79116620     -1.65465453      1.84445132
  H      0.05389959     -4.26713675      5.28965143
  H      2.90934593     -3.67704790     -1.16896563
  O      3.23580408     -3.18174805      1.95225811
  H     -4.99617005     -0.51121641      2.72998193
  H      2.66765684     -3.48050542      0.34830214
  O     -1.17250684      0.37196033      4.99509607
  H     -5.03467173      0.99091943      3.06761724
  H     -3.68565019      2.53361448      3.84708800
  O      1.78150476     -1.14562255      3.23844884
  H      1.04057607     -0.16676665      1.74564572
  H     -4.04757397      3.43663139      2.64206699
  O      2.23751306     -3.71646654     -0.49468996
  H     -0.39410173      0.31369608      1.43857464
  H     -2.01950889     -2.98660574      3.53688717
  O     -3.88884802      2.53146873      2.89451344
  H      2.96968230     -6.22698662      3.76400245
  H     -2.89817697     -4.17879259      3.98426609
  O     -2.88659001     -3.21757494      3.90957991
  H      1.67063626     -5.39378462      3.85494482
  H      0.64361426     -2.84641994     -0.26250407
  O     -0.17099522     -2.41907849      0.02799032
  H     -2.24826766     -4.89522905      0.76782593
  H      0.04466503     -1.50405192      0.26763053
          69
 Energy    -250.10137688534368     
  O     10.88743675      9.30836963    -13.45004196
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  H     13.38185725     14.04554060    -14.54577802
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  H      9.95797393      9.12702839    -13.34005236
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  O     16.96528800     11.67889464    -11.63407736
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  H     14.78699058      9.96032779    -13.20119379
  O     14.22193915      6.74990796    -16.04398644
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  H     12.94666951      7.60119633    -11.46995842
  O     16.33494342      8.38315636     -8.38799067
  H     16.82901936     12.42476462    -12.22662012
  H     12.78265904      6.71379573    -12.71143070
  O     16.18948365      6.37468097    -12.13816103
  H     16.09027246     11.27597510    -11.50930574
  H     19.53407064      9.17960236    -11.65950688
  O     14.54505863     10.50807249    -11.47950486
  H     14.13772190      6.25453988    -15.22120697
  H     20.80090800      8.77780935    -10.87184799
  O     17.97108138      6.72336461    -10.09325865
  H     13.59603340      7.48548720    -15.98035947
  H     13.86824228      4.50962092    -13.37954145
  O     16.16435460     10.35019080    -16.48725532
  H     16.28629879      8.43785763     -7.43748348
  H     14.79318898      5.68459265    -12.99514527
  O     16.63778583      7.56812891    -16.92697383
  H     16.87041409      9.14053515     -8.68549451
  H     16.84944437     14.43045092    -13.70831675
  O     18.04031528     11.87550751    -15.09234234
  H     16.84436025      6.34558087    -11.42540892
  H     17.02022867     13.00252253    -14.27352421
  O     13.73042755     13.16441650    -14.42040996
  H     16.59179311      6.87062644    -12.86536276
  H     18.19078448      9.23162619    -13.44195586
  O     14.97656143      9.60668185    -14.07747059
  H     14.43642985      9.64089269    -11.06938008
  H     18.05553214     10.51547982    -12.55183972
  O     12.34700907      7.40694981    -12.20135678
  H     13.67725133     10.89536454    -11.66650939
  H     17.64019770     10.93767256    -10.04053470
  O     19.84797353      8.77948210    -10.83124060
  H     18.67281064      7.33670311    -10.34485626
  H     18.70014786      9.86039557     -9.74446511
  O     13.99453993      5.44843120    -13.49662203
  H     17.46245379      7.17411747     -9.40811179
  H     13.57413920     12.02388890    -15.94929359
  O     16.43737226     13.57024208    -13.73662315
  H     15.75467657     10.21055066    -15.61850272
  H     14.44225318     11.13609114    -16.85763696
  O     18.68574540      9.95383521    -13.02834605
  H     16.37825147      9.46797654    -16.81379260
  H     15.07724066      7.41595337    -11.06696900
  O     17.95547350     10.33519734     -9.35445496
  H     16.92369108      7.04365133    -17.66926028
  H     15.02521846      8.06128558     -9.66303902
  O     13.52768138     11.38954163    -16.67539555
  H     15.75835878      7.23452976    -16.66785800
  H     12.67021699     12.10049101    -13.19308356
  O     14.51451098      7.93217872    -10.47260367
  H     17.49450349     11.37290508    -15.71342221
  H     11.73271631     10.90162202    -12.86477059
  O     12.27347411     11.59786154    -12.47110535
  H     18.44881920     11.23000089    -14.50395048
  H     11.95249982      9.14237252    -14.95745401
  O     12.68262662      9.01539006    -15.57476802
  H     14.65757098     13.27424570    -14.16011199
  H     12.83464621      9.84810893    -16.04707609
          69
 Energy    -250.10076274274269     
  O     15.51105598      7.95468885    -10.53156818
  H     15.41238729      7.61645571    -11.43902672
  H     17.05729568      2.69756578    -18.69792517
  O     17.03806695      7.71980030    -15.16596726
  H     15.88760215      7.22996970    -10.02046278
  H     16.55045252      4.60968839    -16.95634048
  O     14.88552031      2.96904488    -12.89452401
  H     16.67946962      8.45780749    -15.67434400
  H     15.42872569      5.40720440    -16.24090785
  O     14.19977001      1.21535854    -14.96525309
  H     16.92638304      6.91255085    -15.68643391
  H     13.78361735      4.34776748    -13.28686154
  O     15.80426457      9.94546569    -16.31801835
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  H     12.70215958      5.29083417    -12.69997836
  O     15.34369537     10.69168805    -13.77323603
  H     15.74649472      3.25527151    -13.23150683
  H     15.82582229      7.25366780    -13.82617382
  O     18.77028603      8.17916543    -12.98741710
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  H     14.64025389      6.36487543    -13.28631577
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  H     16.04456574     10.67525837    -16.88127934
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  O     17.02490958     10.01793415    -11.55420579
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  H     12.44440626      7.28929592    -10.97439938
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  H     15.92132508     10.50010448    -13.02567916
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  O     16.57418823      3.01360863    -17.93972855
  H     14.47401601     10.32710975    -13.56247695
  H     13.52242761      6.56529453    -16.22545476
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  H     18.29643338      8.86953411    -12.50953238
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  O     13.25472555      5.13730270    -13.47463516
  H     18.29194321      8.06947050    -13.82242402
  H     14.20758820      8.88807974    -16.23228717
  O     15.41403947      6.88175595    -13.03536987
  H     14.60983490      3.59359766    -11.13580666
  H     13.17678171      8.66612512    -15.11260919
  O     12.77258581      9.52660390    -13.44130490
  H     15.17426676      4.53782301    -10.04236736
  H     11.34842995      5.02094816    -10.51106324
  O     12.75730612      8.19764527    -11.06730599
  H     16.09566516      1.26851352    -15.40207255
  H     12.89067385      4.97249808    -10.63325299
  O     13.63491943      5.60689734    -16.14329913
  H     17.24928178      2.22237242    -15.04138043
  H     18.34827934      6.53698626    -12.33334651
  O     13.46689799      8.32944078    -15.96925271
  H     17.28841323     10.65813497    -10.89721250
  H     16.90844458      6.02982820    -12.44075699
  O     12.09257935      5.45056289    -10.92403663
  H     16.50625814      9.34011864    -11.09064178
  H     17.23311301      5.56089466    -10.44707668
  O     17.78915698      5.77471973    -12.12332689
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  O     17.26783705      3.82402984    -14.04129160
  H     16.79376343      2.42264284    -17.19705352
  H     17.66394953      4.40806552    -13.38317479
          69
 Energy    -250.10028110276866     
  O     -1.80770003      4.57276921      3.95085266
  H     -1.65677349      4.31969000      3.03133695
  H     -2.83566626     -3.55731709      2.68165928
  O      0.77151897      1.72051151      0.82501877
  H     -1.20039501      4.03632590      4.47734027
  H     -4.34036635      5.01223754      5.78260623
  O     -1.51920199     -0.47026859      3.10164307
  H      1.46071028      1.84069012      0.17653802
  H     -3.33674194      4.44585969      4.74831669
  O     -5.03991677      0.39396477      0.52480209
  H      0.31078708      0.89625241      0.59444044
  H     -2.60217290      3.32443284     -0.11552837
  O     -3.42328382     -2.45142303     -1.36942154
  H     -2.06720634     -1.19670463      3.42037309
  H     -4.11500450      3.19511077     -0.35769391
  O     -0.73761106     -0.55068190      0.45807359
  H     -2.12100523      0.28122538      2.98380397
  H     -5.22224710      3.33111340      4.06695740
  O     -4.09241169     -0.61918648      6.11673888
  H     -5.44038825      1.26870170      0.44314649
  H     -5.87383341      1.93225082      3.74488998
  O     -6.12614045      0.25909408      4.28807152
  H     -4.36306819      0.31213522     -0.16179262
  H     -0.65736607      2.90977618      1.20652264
  O     -0.26467724      2.77167353      5.51367652
  H     -2.55722903     -2.77496356     -1.09119891
  H     -2.08400560      2.69700806      1.77599943
  O     -2.87667708      0.33340435     -1.17671311
  H     -3.31908523     -1.49916336     -1.48733315
  H     -6.61556435      3.57519216      0.42415378
  O     -5.58708054     -1.66047868      2.23367596
  H     -0.68572313     -1.47445115      0.18313902
  H     -5.77306849      3.06267725      1.61365688
  O     -2.67350264     -4.03571463      1.85884371
  H     -1.02255726     -0.56425351      1.38455221
  H     -4.19096633     -2.05344479      3.34693197
  O     -4.15203142      4.24771256      5.24543387
  H     -3.61594227      0.23005445      6.10398730
  H     -3.62238855     -1.82180812      4.76496329
  O     -3.25636059      3.04464528     -0.76946363
  H     -4.24581861     -0.83117288      7.03390397
  H      0.89768816      1.37517536      2.73308949
  O     -5.58076374      2.77573629      3.36388105
  H     -5.51576440     -0.03859726      4.97345093
  H      0.00224394      0.43410348      3.55599322
  O     -1.48048068      3.36658451      1.41668297
  H     -6.11921165     -0.43433825      3.61635587
  H     -3.39765644      2.60510447      5.89073750
  O     -5.82470617      3.08877751      0.64259031
  H      0.41172870      2.95186793      6.16101159
  H     -1.96693708      2.04559534      5.92185267
  O     -3.44919699     -2.27512586      3.93026707
  H      0.13442161      2.18099361      4.85064414
  H     -4.57921514     -3.24162829     -0.29766057
  O      0.70338424      1.09769971      3.63503388
  H     -2.10842996      0.10133168     -0.63779340
  H     -5.64145059     -4.34828362     -0.10361486
  O     -2.88982683      1.80472642      6.06706894
  H     -2.94379986      1.30043481     -1.18212363
  H     -1.51474891     -3.57048532      0.64321453
  O     -5.09573253     -3.72679310      0.37064101
  H     -5.58322697     -2.44461132      1.67197698
  H     -0.38521648     -3.99155843     -0.32696846
  O     -0.97434356     -3.27373585     -0.11181681
  H     -5.43434169     -0.91750228      1.62908355
  H     -3.76093388      1.05091097      1.71455012
  O     -3.26847698      1.49480722      2.41703073
  H     -3.52649075     -4.07456512      1.40715959
  H     -3.93610916      1.95917695      2.93447554
          69
 Ord_Energy   -250.099686    
 O   0.845412612       5.62916994       1.01439214    
 H    1.01272929       5.31675005      0.117222011    
 H   -6.33755978E-03   5.23624659       1.24876130    
 O   -2.61268830       8.25392914       3.62344766    
 H   -2.52182055       9.14100647       3.96155810    
 H   -1.92020130       8.14116192       2.94873118    
 O   0.762849152       4.26236868      -1.49531388    
 H  -0.172269285       4.42288637      -1.72197664    
 H    1.25700104       4.32627821      -2.30779290    
 O   -3.21940446       5.76963806       4.76823759    
 H   -3.93511105       5.47745991       4.18619156    
 H   -2.99703002       6.66982841       4.49831247    
 O   -3.43134888E-02   2.22349858      0.260214329    
 H   0.624326706       1.94914997      0.911420524    
 H   0.382905781       2.82197189     -0.373569727    
 O  -0.646615982      0.133208469       3.39650130    
 H   0.151232153      0.593479037       3.11382246    
 H   -1.05968666      0.673654914       4.08360624    
 O   -4.30416441       1.22157359       3.01697063    
 H   -4.28807592       1.88841391       2.31480026    
 H   -3.88529515      0.431182861       2.65447545    
 O   -4.65202045       7.29262733       1.79466248    
 H   -4.08122873       7.72787285       2.43976068    
 H   -5.06919622       6.55833101       2.26237726    
 O   -4.17867661       3.26368475       1.14695048    
 H   -4.23631954       3.07718611      0.202327937    
 H   -3.26933074       3.55516553       1.30522382    
 O   -3.82242680       2.56511164      -1.54329193    
 H   -3.27525377       1.82706642      -1.21597898    
 H   -4.37369347       2.21658635      -2.23864460    
 O   -5.31657410       4.85912848       3.11554742    
 H   -5.00283289       4.36056709       2.34690738    
 H   -5.73740005       4.21154213       3.69275093    
 O    1.64245570       1.54141784       2.38986611    
 H    2.51331162       1.16441751       2.48242211    
 H    1.68472588       2.44289398       2.75684834    
 O   -1.06012940       4.15542698       4.19456100    
 H   -1.72609472       4.80350351       4.46345234    
 H   -1.38389540       3.29226661       4.48714924    
 O   -1.58726406       4.14873743       1.51975071    
 H   -1.41065025       4.13366365       2.47184539    
 H   -1.09103334       3.43262982       1.09732413    
 O   -3.88852715       3.49817944       6.41359138    
 H   -4.71253777       3.24046421       5.98207188    
 H   -3.66605377       4.36753750       6.05651093    
 O    1.58258498       4.08542252       3.27660322    
 H   0.747947156       4.18761969       3.75540662    
 H    1.54516315       4.70824528       2.53974843    
 O  -0.854643345       7.85026407       1.58234239    
 H   -1.47878587       7.51420021      0.923649609    
 H   -5.98295107E-02   7.32022572       1.46027088    
 O   -2.23883700      0.676211715     -0.459818661    
 H   -2.43367934      0.111788251      0.296604753    
 H   -1.41087914       1.13129854     -0.250962466    
 O   -6.03993273       2.60296488       4.69162750    
 H   -5.50312853       2.01064038       4.13959789    
 H   -6.84026194       2.12921619       4.90466452    
 O   -2.70386434     -0.817355573       1.93414235    
 H   -1.91628289     -0.533443034       2.43402576    
 H   -2.73709273      -1.76857758       1.99117076    
 O   -2.29333997       1.79744267       4.94484234    
 H   -2.75956893       2.29874253       5.63026333    
 H   -2.96036077       1.59031773       4.27657461    
 O   -1.87456346       4.65111589      -1.95174849    
 H   -2.53339648       3.94890857      -1.90605772    
 H   -2.21863985       5.37263441      -1.40619743    
 O   -2.70517564       6.35530853       8.05197433E-02
 H   -2.36958432       5.61686087      0.606769323    
 H   -3.48213911       6.69466925      0.548864663    
          69
 Energy    -250.09921457588729     
  O     -7.59612766     -2.78372477      5.97004378
  H     -6.72661409     -2.43143453      6.19847473
  H     -7.11081155     -1.59682729     -0.26023700
  O     -9.86343570     -2.51040260      2.22861442
  H     -8.23531926     -2.12184244      6.25777492
  H     -4.28650940      1.04448887      1.94680246
  O     -7.82325699     -4.01945018      3.57230047
  H     -9.23695154     -3.07335301      2.69853971
  H     -3.27919451      1.97139400      2.67494817
  O     -5.02755831      0.79146079      0.28436079
  H    -10.08719147     -1.79366334      2.83565380
  H     -6.81845868     -0.85789360      2.92163835
  O     -6.82229263      0.62984352      5.81614686
  H     -7.76478206     -3.61175841      4.45504545
  H     -7.35295549      0.50611312      2.39902397
  O     -6.11692558      5.30298076      1.28665215
  H     -7.90370177     -4.95978128      3.70874256
  H     -4.65083106     -1.41167595      5.67060525
  O    -10.03798379      1.25746070      0.03263611
  H     -5.21383941     -0.10332584     -0.01785414
  H     -4.45990482     -1.65536558      7.18835107
  O     -9.19321808     -0.48327880      6.66497871
  H     -5.90018797      1.17518232      0.47639523
  H     -1.52116532      3.92180611      2.42525152
  O     -4.00522358     -1.22464257      4.10457895
  H     -6.95516042      0.40783573      4.87928933
  H     -3.00551228      4.18002927      2.78423168
  O     -4.32606042      3.56153199      0.16319954
  H     -6.17952441     -0.00463276      6.16054687
  H    -10.30681047      1.42589690      3.13224093
  O     -9.95207571     -0.23189630      3.93879356
  H     -6.24380286      6.04151357      0.69682239
  H     -9.60802642      2.77818440      2.80766835
  O     -6.15444809     -1.78035218     -0.32317504
  H     -5.53386139      4.67515204      0.82397894
  H     -6.52737458     -3.02834370      2.69753946
  O     -3.93506444      1.27778510      2.81784813
  H    -10.66403246      1.64348742     -0.57353070
  H     -5.95153258     -2.27991082      1.44273157
  O     -7.30108161     -0.06192941      3.17726607
  H    -10.26262700      1.59369141      0.91905452
  H     -9.19223865     -1.80756868      0.71773121
  O     -5.11824846     -1.46997725      6.52504758
  H     -9.53990691     -0.13783005      7.48356830
  H     -9.28752114     -0.50893808     -0.10508488
  O     -2.40517824      3.59240136      2.29081627
  H     -8.39242861      0.02903713      6.45945728
  H     -4.94120175      5.31045461      2.83275561
  O    -10.34463198      2.20627303      2.56189886
  H     -3.87727146     -0.35017596      3.71474778
  H     -4.80812833      4.35403671      4.02893185
  O     -5.89682146     -2.35774667      2.40382420
  H     -4.55561345     -1.71681328      3.47953068
  H     -6.06132358      2.17329891      5.10633663
  O     -8.79123326     -1.32974055     -0.02395794
  H     -3.56470889      3.59186149      0.75638970
  H     -5.14095407      2.21498183      3.86496247
  O     -4.33820319      5.04238827      3.53705433
  H     -4.50171154      2.62448874      0.01380640
  H     -7.58651596      2.45138246      1.58401076
  O     -5.70671308      2.76208590      4.42978572
  H     -9.03302089     -0.22889616      3.62664865
  H     -8.29145408      1.55199550      0.52914323
  O     -7.45490041      1.70426401      0.98485395
  H     -9.90430877     -0.34081386      4.89505961
  H     -7.16968498      3.37967692      3.48696227
  O     -7.82741421      3.69489666      2.85033775
  H     -6.03177854     -2.32344278     -1.09701158
  H     -7.38179442      4.37631880      2.32871774
          69
 Energy    -250.09912799981259     
  O     -8.06466954     -1.61428260      6.33248477
  H     -7.94934289     -2.29922833      5.66205392
  H     -4.09314905      1.13580895      1.49958763
  O     -9.57185163     -1.33439470      3.16662464
  H     -7.19361959     -1.22721579      6.48410307
  H     -7.79567558      1.15469484      3.94028999
  O     -7.96427783     -3.43060095      4.12229606
  H     -9.11914951     -2.13352944      3.46845541
  H     -8.12728974     -0.12500576      3.12953744
  O     -5.08657754      0.89288201     -0.02476516
  H     -9.97325833     -0.92840194      3.94531978
  H     -5.20053418     -0.51957258      5.60887503
  O     -6.08556750      2.32903813      6.07811548
  H     -8.04229170     -4.38046868      4.13859440
  H     -4.72924011     -0.73501512      7.06668544
  O     -4.98365498      5.62353415      0.42567071
  H     -7.23633023     -3.21771694      3.51057443
  H     -0.76529769      3.33379948      1.43989302
  O     -9.84394217      2.17225557      0.51141690
  H     -5.83501224      1.43417509      0.27674471
  H     -2.11943386      3.94745913      1.87405682
  O     -4.98773708     -0.47045972      3.85478130
  H     -5.45636363      0.01217323     -0.14918873
  H     -8.65727216      4.18618240      2.78721133
  O     -3.78495232      3.37238992     -0.56175162
  H     -5.88936563      1.42975832      6.36135090
  H     -9.75028505      3.23810208      2.24348024
  O    -10.24608635     -0.16758345      5.66266323
  H     -7.03699194      2.35492964      5.90259149
  H     -5.50738399     -1.98054076      2.90904692
  O     -6.66051119     -1.49190757     -0.10161269
  H     -4.60627661      4.82632673      0.01325135
  H     -6.19315848     -2.29501032      1.55901018
  O     -3.62090628      1.33852194      2.32011895
  H     -4.95709627      6.31136196     -0.23422130
  H     -9.53998272      0.25483968      0.43408903
  O     -7.45987744      0.56002700      3.25528991
  H    -10.08867009      2.66630128     -0.26811319
  H     -9.46191506     -0.96353535      1.36983892
  O     -5.47784889     -0.46640943      6.53976790
  H     -8.87423925      2.22140056      0.57838095
  H     -9.36519570      1.48405028      5.37436496
  O     -1.70739768      3.19342645      1.41417866
  H     -5.86276601     -0.09803262      3.65624087
  H     -9.08814563      2.75152491      4.48835155
  O     -9.46885665      3.71918403      3.02885354
  H     -4.34620759      0.08482049      3.39254284
  H     -3.71611301      4.65940324      3.20215316
  O     -6.01280577     -2.65502683      2.43541794
  H     -2.98693518      3.28349551     -0.02521347
  H     -3.72636912      5.50113890      1.91433414
  O     -9.18937996     -0.64031421      0.49970878
  H     -4.19407912      2.49830767     -0.57081094
  H     -4.54536687      2.64776371      3.35591587
  O     -8.71073655      2.15781051      5.15562904
  H    -10.95825208     -0.30905924      6.28043374
  H     -5.26953091      3.05347336      4.68008838
  O     -3.14360702      5.16117873      2.60395939
  H     -9.47839620     -0.67061354      5.99373540
  H     -7.27041929      1.59563756      1.81593508
  O     -4.92825068      3.39028393      3.83873643
  H     -6.73327865     -2.06967955     -0.85789160
  H     -7.02981386      3.08812724      1.43884795
  O     -7.17685741      2.20744530      1.06884673
  H     -7.55954200     -1.16536343      0.07983842
  H     -6.31349405      5.11850065      1.64717998
  O     -6.84759721      4.64128148      2.29482266
  H     -2.85251464      1.86611622      2.07230012
  H     -6.22493875      4.26002390      2.93387718
          69
 Ord_Energy   -250.098801    
 O   -4.37385559     -0.523591757       1.64593577    
 H   -4.23656034      -1.42289257       1.31825495    
 H   -4.23281908       8.90854597E-02  0.914391518    
 O   -2.80249786       2.96230578       1.56718671    
 H   -3.37594867       3.13130593       2.32429194    
 H   -2.01640487       2.51367378       1.90278316    
 O   -3.97742963      -3.16532755      0.874347150    
 H   -3.17563701      -3.37829876       1.36375606    
 H   -4.72502851      -3.61690259       1.29503047    
 O   -6.68643904       2.17168260       2.06037498    
 H   -6.03833151       2.61081696       2.62409019    
 H   -6.86205530       1.31465244       2.46404576    
 O   -4.49424553      -2.03127360      -1.60524893    
 H   -4.32148743      -2.58737683     -0.831856966    
 H   -3.67840433      -1.53641391      -1.73535264    
 O   -6.74801922     -0.564617276       2.99282312    
 H   -5.91113663     -0.503321111       2.50384545    
 H   -7.35376978      -1.08286464       2.44554591    
 O  -0.639608085       1.31700087       2.46720767    
 H  -0.633270383      0.525060177       1.89808142    
 H   0.269199997       1.52175856       2.66809750    
 O  -0.791864455     -0.933500648      0.989087462    
 H   -1.06214547      -1.75874233       1.40641761    
 H   -1.22484159     -0.886036158      0.127392516    
 O   -6.78479719      0.424386591       5.64334011    
 H   -6.79055357     -0.354280055       6.21343374    
 H   -6.91470766      0.102350563       4.74225569    
 O   -6.92454195     -0.937429905     -0.836064935    
 H   -6.83290958       2.07500905E-02 -0.849317431    
 H   -6.10225821      -1.30638671      -1.19143569    
 O   -5.70335150      -2.74590945       4.55021143    
 H   -6.04954529      -1.99152970       4.05624771    
 H   -5.98434973      -2.62260008       5.46603918    
 O   -8.12537098      -2.17873979       1.21167934    
 H   -7.71166706      -1.76258659      0.431813121    
 H   -9.02505016      -2.38119817      0.971274793    
 O   -4.25250292       1.49931693       5.68276167    
 H   -3.74981904       1.00919914       5.01277351    
 H   -5.16032743       1.15421844       5.69295311    
 O   -3.72731566     -0.981820047       7.15184069    
 H   -3.27239251      -1.49654555       6.47491455    
 H   -3.77045035      -7.49737322E-02   6.82448244    
 O   -6.54497528       1.91448426     -0.634631753    
 H   -7.07828426       2.57357788      -1.07055080    
 H   -6.63989639       2.06204844      0.323612094    
 O   -3.82549453       1.36704326     -0.373042136    
 H   -3.46954966       2.01366401      0.256917626    
 H   -4.72937346       1.62274706     -0.592348397    
 O   -6.20571470      -4.11786270       2.13563800    
 H   -6.92364454      -3.57164836       1.79132390    
 H   -6.07710600      -3.84250474       3.05286980    
 O   -1.63130498      -3.31912327       2.43501806    
 H   -1.04343486      -4.04975033       2.61205363    
 H   -2.02590251      -3.06707549       3.28598380    
 O   -4.67438555       3.39892459       3.71142840    
 H   -4.82611656       4.27107096       4.06918716    
 H   -4.51772833       2.81498027       4.47043896    
 O   -2.10791302     -0.414456189      -1.48844123    
 H   -1.65947771      -5.00899106E-02  -2.24777579    
 H   -2.70042038      0.281838983      -1.15304327    
 O   -2.80563712      0.166402772       3.77065063    
 H   -1.99937320      0.588195145       3.45126581    
 H   -3.34653306      -3.89539711E-02   2.99273252    
 O   -2.91423154      -2.39677262       4.70626974    
 H   -2.81228113      -1.47924125       4.40601921    
 H   -3.85584331      -2.60898900       4.63355112    
 O   -6.27501440      -1.94874382       7.17621708    
 H   -6.55639744      -2.27951765       8.02447605    
 H   -5.36373520      -1.62236571       7.28671980    
          69
 Energy    -250.09830460568750     
  O     11.29847206      9.72917489    -10.21407225
  H     12.03142499     10.24987059    -10.56659047
  H     15.76503323     12.31074952    -13.33408603
  O     13.34392500      8.21863492    -15.02445479
  H     10.65781794      9.65305648    -10.93240392
  H     15.55172104      8.80879993    -12.67223496
  O     18.11706796      8.98241580    -10.90043024
  H     14.10085601      8.50177187    -14.48518006
  H     16.01568781      9.65355894    -13.88134135
  O     15.71123779     10.75323334    -16.54320605
  H     13.69384607      8.11830965    -15.91643220
  H     11.31812093      7.04553120     -8.51223032
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  H     17.16388108      9.12953257    -10.82241398
  H     11.54374681      8.11393545     -9.61012834
  O     16.15873172      5.03417445    -11.59975066
  H     18.41693410      9.44950750    -11.68824331
  H     18.92164096      6.82452830    -13.15691106
  O     12.96875980      6.04633419    -13.34539255
  H     14.88407574     11.16752900    -16.25019547
  H     18.25189233      6.96827555    -14.54172997
  O     15.31986709      9.08386038    -10.90897480
  H     15.49010371      9.87087735    -16.85594020
  H     10.84692348      6.63744973    -11.07841179
  O     15.21662574      4.46108377    -14.04006883
  H     11.01199555      9.89053984    -13.50958298
  H     11.30042234      6.28428609    -12.51183401
  O     16.89303983     11.25481775    -14.17178040
  H     12.25101778      9.47962744    -14.35635256
  H     20.12686499     10.15794439    -13.49531318
  O     15.09404587      7.97920251    -17.22870493
  H     17.00730285      5.47436955    -11.46636397
  H     19.16559640      8.96919850    -13.71922768
  O     15.04150056     12.83350717    -12.94604984
  H     15.48837957      5.56043447    -11.14473311
  H     16.07991395      5.89025930    -14.87769896
  O     15.63051105      8.80399450    -13.63378512
  H     13.62612041      5.40043015    -13.63031712
  H     16.24336979      7.40792051    -14.57949857
  O     11.64778996      7.16837029     -9.39794417
  H     13.01452903      6.77761931    -13.97742380
  H     18.45581754      7.29177630    -11.09738543
  O     19.01183461      7.25148975    -14.01851720
  H     14.86572490      8.24296462    -10.75719013
  H     19.32438177      6.06206046    -10.74193747
  O     10.54643609      6.59694656    -11.99484797
  H     14.64381863      9.75498844    -11.07732115
  H     13.96565149     12.43632234    -14.55831329
  O     19.20864268      9.90389470    -13.45039861
  H     15.59909245      4.59794944    -13.15252848
  H     12.82356557     11.47882730    -14.91468182
  O     16.49233617      6.70213818    -15.19847559
  H     15.27785849      3.52840972    -14.22696303
  H     13.24772894      6.75360464    -10.20368754
  O     18.63124645      6.36098959    -11.32493836
  H     17.76065610     10.86319568    -14.01291505
  H     13.63570356      6.49024523    -11.68050912
  O     13.54016232     11.99622166    -15.30311464
  H     16.63788315     11.12467865    -15.10072327
  H     12.86538000     10.67089769    -12.45193359
  O     14.00103909      6.65794467    -10.79993693
  H     15.66577744      7.47926005    -16.62247314
  H     13.93749373     11.67760882    -11.98575717
  O     13.39338017     10.93884482    -11.68546347
  H     15.22987469      7.61402278    -18.09927172
  H      9.92254448      8.18387355    -12.37829521
  O      9.66491207      9.11536168    -12.49931652
  H     15.39266140     13.70330479    -12.77419047
  H      8.71948733      9.12749424    -12.62077609
          69
 Energy    -250.09816961771813     
  O     -1.78602570      5.82167027     -6.04024736
  H     -2.69130301      6.02348674     -6.30254744
  H     -2.06429105     -0.40714204     -6.28259847
  O     -4.58892129      2.29306444     -4.82497897
  H     -1.24417885      5.90567295     -6.83535653
  H     -2.25812683      3.69507305    -13.65109449
  O     -0.89336924      3.40814218     -5.11940329
  H     -3.93391078      2.03665245     -4.16774550
  H     -3.04976090      2.90143427    -12.58497747
  O     -5.45988115      2.21117383     -9.54454706
  H     -4.08463177      2.36722257     -5.65063984
  H     -2.48642099      0.03531502     -8.51517963
  O     -2.83708518      2.57769691     -6.94573717
  H     -1.19657495      4.31996150     -5.25107333
  H     -1.10888915      0.77037569     -8.54113158
  O     -6.10957006      4.36592599     -5.96406212
  H     -0.17806708      3.25636951     -5.75590452
  H     -0.26276032      1.43421886    -10.41870387
  O     -4.80165761     -1.50884778     -6.74775777
  H     -4.90883290      2.98077629     -9.34128864
  H     -0.62726883      2.75638313     -9.72857460
  O     -4.45089789      1.94688600    -12.18122277
  H     -6.24516126      2.28957136     -8.98902657
  H     -8.46530987      2.42743824     -7.68654608
  O     -4.18786216     -0.25554270     -9.19448503
  H     -2.15360196      2.94907158     -6.37216860
  H     -7.22041586      1.75808110     -7.05454601
  O     -3.35143876     -0.65707729    -11.77211118
  H     -2.48535202      1.75107452     -7.29879733
  H      0.65880156      2.66423547     -8.00588344
  O     -4.48938400      6.28898617     -6.95339107
  H     -5.64213364      3.73784256     -5.39716758
  H      0.65858085      4.14325487     -7.59627738
  O     -2.55523363     -0.67308926     -5.49167362
  H     -6.64321914      3.83199591     -6.56378828
  H      0.46010208      6.43916566     -8.74975582
  O     -2.19625789      3.33274462    -12.77133321
  H     -4.94616198     -2.43243546     -6.55966196
  H     -0.55344316      5.32922970     -9.10622963
  O     -1.71679815      0.26967074     -7.97944142
  H     -4.02013004     -1.23805531     -6.23193621
  H     -6.02092138     -0.17210658     -6.23383212
  O     -0.18651601      1.90971495     -9.57863291
  H     -4.92681444      2.07889812    -11.35135473
  H     -5.88815321      1.14274580     -5.44428843
  O     -7.51359691      2.47229951     -7.65050653
  H     -4.15664046      1.02723712    -12.17387856
  H     -3.44921465      3.68965637     -8.11574174
  O      0.82021641      3.25327988     -7.25881844
  H     -4.49413373     -0.72071520     -8.40591943
  H     -4.08756826      5.08538685     -8.31193606
  O     -0.09294487      5.76171928     -8.36803148
  H     -4.65566352      0.59045230     -9.24999974
  H     -1.64131143      2.17682608     -4.07505232
  O     -6.50438083      0.62159208     -5.97841504
  H     -3.55907506     -1.53065073    -12.09404470
  H     -1.74110918      1.40307461     -2.74315110
  O     -3.80410366      4.29632772     -8.78801958
  H     -3.65139605     -0.62013176    -10.84827758
  H     -1.67313311      4.09220783    -11.16956061
  O     -2.14644517      1.49311925     -3.60172250
  H     -4.91736603      7.13936424     -6.90545051
  H     -2.35188404      4.36166686     -9.79766378
  O     -1.49715270      4.34420469    -10.25479425
  H     -5.09888063      5.64550130     -6.54786961
  H     -1.24172515      1.67164207    -12.39127787
  O     -0.90024235      0.84949365    -12.01828373
  H     -2.39998985      0.00801836     -4.82820413
  H     -1.65913386      0.25620234    -11.96311601
          69
 Energy    -250.09702909558840     
  O     13.78796027     11.98409209    -13.63792877
  H     13.69317068     12.93104782    -13.70166603
  H     13.70569606      6.65388148    -16.86436164
  O     14.27896865      6.48616313    -13.76886577
  H     14.28885130     11.69785958    -14.42086005
  H     18.86157672      4.35000939    -15.32622044
  O     18.47033366      7.47476443    -11.80681731
  H     13.76580968      6.39232331    -14.58652768
  H     19.04996783      5.77802673    -14.75144138
  O     19.47351894      9.14916513    -16.12410868
  H     13.78239069      7.03438414    -13.14718417
  H     17.83144391     10.85810489    -14.24318529
  O     11.55654980      9.01096171    -16.48857289
  H     18.34611503      7.50235271    -10.85028551
  H     17.05297216     11.29237210    -15.49669338
  O     15.40574944      8.99893416     -9.16403153
  H     17.83061942      6.83261264    -12.15014301
  H     15.24208768      7.82856711    -14.47734452
  O     13.13916611      8.25385160    -11.95589306
  H     20.19480691      9.50064927    -16.64001197
  H     16.38618322      8.06557284    -15.50211450
  O     17.28121511      9.73053090    -12.85878203
  H     18.96060588      9.91268047    -15.80793252
  H     16.15590458      5.36752350    -11.04264148
  O     14.94538732      7.30941951    -18.05924409
  H     10.61679749      8.93967749    -16.63446400
  H     16.56530224      6.05153783     -9.72155678
  O     13.56821018      6.82691962     -9.59249374
  H     11.67412098      9.30584313    -15.56718864
  H     12.45625459     10.62488570    -13.82071280
  O     17.45886598      7.26735374    -16.72052329
  H     14.69848146      8.34249930     -9.19041762
  H     12.19898874      9.21805216    -13.24486573
  O     13.03187261      6.53114130    -16.17928218
  H     15.23402911      9.60532363     -9.89596026
  H     19.62151543      7.32631598    -13.27930069
  O     18.39033738      5.14470841    -15.09021536
  H     13.13605611      7.74009249    -11.13849958
  H     19.88421048      7.88318808    -14.70806344
  O     17.94575131     11.18448081    -15.14777957
  H     13.78427369      8.96480516    -11.82884779
  H     15.81926088      5.82777496    -13.17289513
  O     15.84051189      8.49700994    -14.83213437
  H     16.78820118      9.27236333    -13.55886075
  H     17.20738903      5.27839554    -13.59736835
  O     15.87957272      5.50716680    -10.12750713
  H     17.79259634      9.04529716    -12.41058241
  H     16.91309906      8.11160054     -9.10518084
  O     11.93673641      9.82294069    -13.95112007
  H     15.85422659      7.28643619    -17.73337673
  H     18.11598749      7.60051907     -8.27702784
  O     19.99272532      7.10743420    -14.14514555
  H     14.68652605      8.23714777    -18.08531907
  H     12.92010661      9.64102756    -17.49627187
  O     16.69022614      5.56621950    -12.83667854
  H     14.34897558      6.28232411     -9.80021664
  H     13.37945084     10.26474615    -18.83278321
  O     17.68267432      7.51467342     -9.12173095
  H     13.02869013      6.31765328     -8.99407968
  H     14.52159741     11.03777864    -12.16274932
  O     13.69381241      9.97609112    -17.97913469
  H     18.19302666      7.89142189    -16.64466408
  H     15.80548387     10.19901531    -11.96694413
  O     14.93089368     10.37905274    -11.59013264
  H     17.72656508      6.45832200    -16.26501381
  H     14.68515148     10.78796771    -16.61951219
  O     15.14635822     10.95515957    -15.78926061
  H     12.43569355      7.28123163    -16.27296144
  H     15.34830252     10.07640066    -15.42791842
          69
 Energy    -250.09674172065374     
  O     12.44526749      9.87253345    -15.27571445
  H     12.97402589     10.67721032    -15.22725905
  H     15.62674211      5.03336843    -15.94540499
  O     16.67236012      6.29600992    -13.38431198
  H     12.90894152      9.28531643    -15.88863469
  H     17.04514105     11.25355116    -16.34012407
  O     17.90676680     10.33933561    -12.08578239
  H     16.71439945      5.64602813    -14.09975696
  H     15.54789120     11.58433344    -16.37361488
  O     18.07304074     10.58975417    -14.89492553
  H     16.35734133      7.11530918    -13.79253030
  H     15.63723016      9.23397620    -14.08167948
  O     13.76911307      5.48181591    -16.11505333
  H     18.24554523      9.44408177    -12.23692001
  H     15.24968489      8.49687333    -15.39952271
  O     15.30269091      9.15907672     -8.99925297
  H     17.92072922     10.47892435    -11.13080073
  H     11.84137747      9.05689735    -13.88052714
  O     14.77593991      6.26856946    -11.42245642
  H     18.16388273     10.77099764    -13.95076534
  H     10.62147766      8.65311372    -13.01695831
  O     15.26592184     10.51334855    -12.86574847
  H     17.40335040      9.89286068    -14.94599794
  H     18.41312004      8.53110668     -9.53623520
  O     17.61387914      7.38260945    -16.76675857
  H     13.19331264      4.80183334    -16.45547230
  H     18.79287538      7.57373299    -10.68469202
  O     16.18664758      6.43252430     -8.99605084
  H     13.47785107      5.66356482    -15.20265365
  H     13.50964620      6.00410426    -12.81778098
  O     19.78810010      8.31177668    -15.11082347
  H     14.64714089      9.18053849     -9.70760580
  H     12.41547862      6.88353752    -13.45434240
  O     16.56796883      4.92935305    -15.75680761
  H     15.51167088      8.22553983     -8.86573969
  H     19.36464155      7.88763868    -13.37024788
  O     16.28132119     11.29769768    -16.93077526
  H     15.19182103      6.19634738    -10.55488282
  H     18.16308838      7.13628585    -12.76048111
  O     15.95397654      8.60764338    -14.74627206
  H     15.48936172      6.19566196    -12.07520241
  H     16.83116796      9.99308700     -9.16227157
  O     11.56658036      8.55359825    -13.09296025
  H     16.16891587     10.52220804    -12.51794801
  H     17.92309407     10.91250664     -8.56253590
  O     18.51516017      7.59816748     -9.75921494
  H     14.71361495      9.98979537    -12.26852103
  H     16.17074088      9.91218467    -17.99243765
  O     12.96286478      6.10412555    -13.60686531
  H     17.25154433      7.87947156    -17.51002587
  H     16.16364698      9.31084614    -19.41813506
  O     18.87717821      7.75248958    -12.54567970
  H     17.13925031      7.71974080    -15.99541700
  H     14.09894046      7.94648717    -11.36042185
  O     17.73092567     10.34025361     -9.30020430
  H     16.34299506      5.81456225     -8.28712412
  H     12.89819920      8.80860290    -11.82351061
  O     16.09604935      9.08073811    -18.49549910
  H     17.05816284      6.77040156     -9.27144595
  H     14.65854665     11.56389824    -14.16778626
  O     13.72631644      8.84059744    -11.32865580
  H     19.44212466      9.21306016    -15.13515755
  H     14.13531386     12.91244937    -14.71276930
  O     14.30602349     12.00629405    -14.95888540
  H     19.28569823      7.84045097    -15.78585621
  H     14.67966007      8.37766094    -17.48319320
  O     14.08288892      8.17677400    -16.75129959
  H     17.01954635      5.60870841    -16.27455147
  H     13.97703784      7.21835939    -16.67972212
          69
 Energy    -250.09505131491454     
  O     11.47892153      6.52977402    -15.27170913
  H     12.42169408      6.51023983    -15.47852298
  H     13.14071421      5.76619401     -9.08372045
  O     12.04346986      9.89708191    -10.55050072
  H     11.25617529      5.69267382    -14.84826273
  H     14.18238612      3.96308043    -13.48809543
  O     16.83764212      5.73699723    -11.95422377
  H     12.95625547      9.62885832    -10.34606647
  H     13.57461798      3.44201248    -12.13665447
  O     13.91261533      3.01226062    -10.45059548
  H     11.79574229     10.53732394     -9.88827371
  H     13.16633229      5.59404277    -12.39505736
  O     14.55177437      9.01763441     -9.93539844
  H     16.65808858      6.68627733    -11.89612060
  H     12.22221200      6.77499739    -11.97141281
  O     17.03118502      7.27765533    -16.29647422
  H     16.65508942      5.34441552    -11.09326730
  H      9.40298309      8.83137897    -14.78666492
  O     12.20761869     10.43314610    -13.36645015
  H     14.72176950      3.41380273    -10.11317738
  H     10.64259186      7.91129150    -14.67876599
  O     15.69474108      4.60774915    -14.20387841
  H     13.19380579      3.37895394     -9.91949424
  H     18.44652662      5.76788556    -12.91925023
  O     11.82901384      4.40057114     -9.04295677
  H     14.39677740      8.14003531     -9.56266034
  H     18.87580808      5.43277156    -14.36087837
  O     18.42157304      8.54778611    -14.05850758
  H     15.28414226      8.92597852    -10.55758107
  H     13.55652729      9.27867892    -13.57154575
  O     16.04767033      4.69752949     -9.46712252
  H     16.07372380      7.22402982    -16.18225875
  H     13.79054681      7.83648289    -13.01204772
  O     13.85574870      6.33211751     -9.39994334
  H     17.37021669      7.83990624    -15.59017689
  H     15.64569650      8.58895589    -12.61219753
  O     13.36060036      3.83783269    -12.99469528
  H     11.46246112      9.93855412    -13.73187340
  H     17.18243776      8.66088326    -12.63111356
  O     13.14432374      6.49327026    -12.04620602
  H     12.11255765     10.39209401    -12.40627136
  H     17.65576209      5.65165335    -16.14385720
  O     10.16472251      8.64250427    -14.24589741
  H     16.07322650      5.00166850    -13.40299880
  H     18.26383592      4.34096922    -16.70100981
  O     19.12313781      5.95220889    -13.58578170
  H     16.42778579      4.47466037    -14.81612688
  H     11.04968852      8.44958627    -11.18630140
  O     14.17654440      8.53716685    -13.56081607
  H     11.23054129      4.59126609     -9.78744817
  H     10.37308777      8.03542694    -12.52263799
  O     16.43089311      8.49727177    -12.04829326
  H     11.28384040      4.06636855     -8.33574849
  H     14.74475004      5.94450975    -15.11548774
  O     17.93927416      4.75010395    -15.90391496
  H     18.77760852      7.65641209    -13.89464708
  H     14.28798937      7.41757469    -14.93144109
  O     10.64331269      7.70818171    -11.65386710
  H     19.16874250      9.11335349    -14.23669228
  H     10.46694473      3.35116152    -14.25724137
  O     14.32056367      6.68593502    -15.56830200
  H     15.31400822      5.32539801     -9.34875879
  H     11.73428231      3.91651680    -13.57263450
  O     10.81781907      4.12720713    -13.82710515
  H     16.52899006      4.67228339     -8.64393020
  H     10.19126404      5.97698565    -11.24202726
  O     10.22494713      5.01453414    -11.14650825
  H     13.69216329      6.43523344    -10.35183639
  H     10.31046429      4.66386235    -12.04054681
          69
 Energy    -250.09485680063818     
  O     12.35925155     11.51618701    -15.67350288
  H     12.82152174     12.14685073    -15.10901580
  H     19.33617370      8.77968707    -12.66331593
  O     15.47593065      6.67230205    -13.63321433
  H     11.76942235     11.00548490    -15.10618396
  H     15.54177294     11.61559767    -16.46147871
  O     16.49494520     10.02208675    -10.82220634
  H     14.56876001      6.63871987    -13.29952204
  H     16.80077668     11.88762618    -15.61642343
  O     17.86891589     10.60193938    -14.68290570
  H     16.05364354      6.79302976    -12.86843018
  H     15.04960016      9.56371679    -15.18870488
  O     13.94943305      7.39449235    -17.27291332
  H     16.09689991      9.70205345     -9.99842128
  H     15.44112291      8.42814423    -14.17036904
  O     12.41901602      8.63333803     -9.24343690
  H     15.79827913     10.47023786    -11.32013428
  H     11.13263702      8.95798000    -14.59707768
  O     12.92361373      6.85856716    -12.64117426
  H     17.01476686     10.17066130    -14.51460291
  H      9.79345255      9.68027903    -14.31286710
  O     14.48869374     11.06992249    -12.43957575
  H     18.28020294     10.73604575    -13.82059872
  H     16.39794365      6.43030536    -10.08417651
  O     13.16886448      5.97006480    -10.05749242
  H     14.82787249      7.11243348    -16.96100426
  H     16.50635280      5.45096022     -8.89396622
  O     18.76696193      8.22065451    -15.76267549
  H     13.76203326      6.88509052    -18.05711358
  H     12.62882893      7.45748182    -15.87527240
  O     16.35425248      6.68221710    -16.24175195
  H     11.67079916      8.93303415     -8.73313892
  H     12.28253524      7.11948357    -14.39667748
  O     19.31481885      7.85233355    -12.93207647
  H     12.30269567      8.98445631    -10.14204824
  H     18.06912942     10.42722741    -11.54609174
  O     16.02013124     12.31340626    -15.99175164
  H     12.95688981      6.37630776    -11.80232309
  H     19.44472557     11.12939750    -11.51191141
  O     15.43508117      9.38042358    -14.32065570
  H     12.75194896      7.77939747    -12.40487565
  H     16.81906063      8.23652310    -11.27686481
  O     10.73328167      9.73372062    -14.16062513
  H     14.36636178     11.91044104    -12.89647362
  H     17.92228448      7.36411241    -11.93555525
  O     15.92945977      6.09118297     -9.30263166
  H     14.79580206     10.44061929    -13.11398127
  H     15.47757276      7.88453594     -8.74786371
  O     11.95932392      7.56595402    -15.19094227
  H     14.09090248      5.89601923     -9.78136267
  H     14.26219701      8.82361722     -8.82408822
  O     18.88479070     10.57906699    -12.05348028
  H     12.84441921      6.78911639     -9.66238201
  H     11.65986794      9.65800861    -12.56566556
  O     17.07765041      7.32389684    -11.46318389
  H     19.45761230      8.32623755    -16.41335328
  H     13.03308272     10.11522480    -11.99628116
  O     15.22299502      8.81536043     -8.72990574
  H     18.49782386      9.11534954    -15.49736670
  H     14.13279989     14.17443192    -14.20661946
  O     12.28580342      9.51930126    -11.84344339
  H     16.08735358      6.48836267    -15.33053271
  H     14.86613962     12.97168073    -14.84428948
  O     14.17723709     13.22214993    -14.20221349
  H     17.18307841      7.16806209    -16.17120247
  H     14.19536983      9.24819678    -17.12545603
  O     14.42408423     10.12411284    -16.79426606
  H     19.19414431      7.85223567    -13.88900362
  H     13.60722289     10.56539996    -16.50924794
          69
 Energy    -250.09346674350388     
  O     11.16651898     10.30831352    -10.50908976
  H     10.47445023     10.27303352     -9.85432771
  H     11.24145546      9.37586431    -16.02162840
  O     15.17512597     11.10936111    -12.82388144
  H     11.89243407     10.83156219    -10.12368009
  H     14.61086734     12.75547099    -15.87912532
  O     17.10891108     13.81346166    -14.85506895
  H     14.48776911     11.78394637    -12.78274520
  H     13.51717140     13.83840600    -15.95760646
  O     16.77152686      7.81597459    -13.42586824
  H     16.03096097     11.55347441    -12.75794619
  H     16.84154173     11.38708217    -16.68645374
  O     11.27126175     11.37484728    -13.10432143
  H     17.43218098     13.13169678    -15.45794916
  H     18.25992515     11.51389957    -17.28666326
  O     11.88059115     13.89371777    -16.84947400
  H     16.17606305     13.93415553    -15.07016752
  H     14.33839526     15.06059819    -10.12508536
  O     15.09437086     11.19789402    -16.79827051
  H     17.09023392      6.92713257    -13.29020860
  H     15.19700902     13.79965385    -10.38303233
  O     15.69039122     10.33114533     -9.09925008
  H     16.28950068      8.06505994    -12.62004635
  H     17.94587139      9.33658206    -13.88689885
  O     13.32743713     13.16222786    -12.92925019
  H     11.95670478     12.05546993    -13.02513130
  H     18.24517190     10.48906759    -14.88385484
  O     14.83178306      9.30293427    -14.83001640
  H     11.10412497     11.04107023    -12.21496221
  H     16.44284754     12.01441185     -9.70772061
  O     13.23051666     11.73957621     -9.51618693
  H     11.24037895     13.35426494    -16.35131655
  H     17.11367040     12.73572726    -10.90347338
  O     10.80679929      9.69726291    -16.82939220
  H     11.39259591     14.62031699    -17.22741362
  H     13.03625368      9.10957288    -14.63857871
  O     14.31803798     13.58656720    -15.47956581
  H     14.97758437     10.45123359    -16.19403963
  H     11.84098630      9.89600662    -14.00449946
  O     17.78035410     11.50370999    -16.46185083
  H     14.31566271     11.23265180    -17.37237315
  H     12.40686917     12.30018243    -17.82658779
  O     14.32866127     14.20882172    -10.55277872
  H     16.01513394      9.83677126     -8.35066533
  H     12.06050637     10.79918123    -17.76752063
  O     18.45228256     10.14734549    -14.00418253
  H     15.57766067      9.69678037     -9.82571108
  H     12.04696874      8.80298639    -11.27490794
  O     16.62710597     12.88454625    -10.07894360
  H     13.67540941     13.68775648    -12.19767894
  H     12.33792248      8.26691736    -12.68686617
  O     12.08354746      9.08122788    -14.47096403
  H     13.71364322     13.45490008    -13.76715468
  H     18.07968260     11.58198180    -12.97670900
  O     12.71095311     11.42758689    -18.10522578
  H     14.93743679     10.01018848    -14.17191813
  H     17.51795435     12.99837050    -13.30165943
  O     12.57453443      8.15443242    -11.75882115
  H     15.45928945      8.62044202    -14.56860367
  H     10.24367070     11.36252363    -16.04954463
  O     17.64288325     12.35442391    -12.58860329
  H     14.04265947     11.27032350     -9.28970497
  H     10.44001671     11.97348335    -14.65138382
  O     10.20379457     12.19473666    -15.56246978
  H     13.50109341     12.61354416     -9.81910516
  H     14.30442863      8.46125776    -11.42414017
  O     15.20308056      8.81650475    -11.34957259
  H     10.27172499      8.97893355    -17.15698276
  H     15.19181286      9.66859594    -11.81584818
          69
 Energy    -250.09346595037465     
  O     15.02226602      8.09001328     -9.46279522
  H     14.43074508      8.53881578    -10.09183359
  H     14.08091656      7.93070011    -15.82345496
  O     16.57249123      5.10622596    -15.06083735
  H     14.56791889      8.07571883     -8.62369928
  H     18.50581354      7.35485167    -15.38509263
  O     15.98116968     12.23910812    -11.11549902
  H     17.04176703      5.01109660    -14.22329524
  H     18.69061138      7.24876234    -16.91878109
  O     17.56984525     11.97863093    -13.55422438
  H     17.04801178      5.78235735    -15.55771020
  H     16.01013534     11.66386193    -14.53788335
  O     10.29352031      9.82197023    -14.16251252
  H     15.08933232     12.18999386    -11.48160512
  H     15.35973669     10.45237414    -15.24817057
  O     17.90671536      5.11796708    -12.53459459
  H     16.55759679     12.32823376    -11.88304982
  H     15.73116451      7.38842753    -12.51288538
  O     11.98629984      7.86629484    -13.24303233
  H     18.37370809     12.46025588    -13.73241856
  H     14.95292882      8.71483335    -12.48957568
  O     13.61291687     11.73812770    -12.59212778
  H     17.83455600     11.11977988    -13.18294632
  H     14.80848818      5.72698843    -11.62571796
  O     12.66535803     11.97129028    -16.05976248
  H     10.55970338      9.72055509    -15.08513940
  H     15.50855281      6.61996575    -10.54462628
  O     13.89565868      4.83982339    -15.26094159
  H     10.49717663     10.73738645    -13.93641643
  H     13.46660271      5.13935352    -13.41742903
  O     15.69092045      8.68939494    -15.61605341
  H     18.33937888      4.41089881    -12.06248837
  H     12.71572100      6.21741432    -12.62187319
  O     13.21148172      7.50525444    -15.79355536
  H     17.14202247      5.38562709    -11.99651754
  H     17.23289755      9.08547241    -12.65892666
  O     18.02989513      7.27673159    -16.23248040
  H     12.45660640      7.74437889    -14.07802346
  H     17.94642941      9.70157941    -11.44844056
  O     15.17858232     11.33855564    -14.90624119
  H     11.27730536      8.49804729    -13.43337971
  H     18.83925124      6.61681938    -13.28101821
  O     15.65823813      8.24390709    -12.95197989
  H     12.75721523     12.08056123    -12.87648767
  H     18.95336754      8.15931365    -13.25629028
  O     15.66881436      6.00249642    -11.26908704
  H     14.12937458     11.58295070    -13.39595226
  H     12.08964046      8.70930567    -16.47822650
  O     13.30942384      5.46225593    -12.52173247
  H     13.58250349     11.82593574    -15.79224972
  H     11.10688462      9.17774571    -17.57355593
  O     18.05184280      9.53085456    -12.39676561
  H     12.33538401     11.12707292    -16.39252983
  H     16.71349586     10.83343071    -10.15694957
  O     19.16156868      7.37563251    -13.78285018
  H     14.86630277      4.90727882    -15.20687470
  H     16.50931799      9.38956199     -9.63462464
  O     11.51478781      9.44270829    -16.75271093
  H     13.69999367      4.00684736    -15.68168770
  H     10.74118888     13.35044765    -13.88801083
  O     17.18360856     10.03685190     -9.86525945
  H     16.49058085      8.28737100    -15.97462100
  H     11.69888244     12.42152902    -14.67536930
  O     11.22057443     12.52838068    -13.83242832
  H     15.68353845      8.48103410    -14.66628521
  H     12.92561469      8.74945694    -12.00168229
  O     13.54288086      9.25009350    -11.44886239
  H     13.36816888      6.55663242    -15.70682618
  H     13.51444790     10.16977519    -11.74649390
          69
 Energy    -250.09226134810308     
  O     12.65353341     10.09498604    -11.45046990
  H     12.18330844      9.25249390    -11.45749789
  H     13.95002354     14.72870222     -8.26826986
  O     13.16694629      7.32528954    -13.37150241
  H     12.04191595     10.78175422    -11.74382994
  H      9.69862111     11.99188902     -9.52456273
  O     11.01717200     12.21092637    -12.21458139
  H     12.47074589      7.26796125    -12.70000236
  H     11.03865544     12.51633881     -8.97164807
  O     14.12981691     10.63353047     -9.23934766
  H     12.86223418      7.98025516    -14.01034321
  H     11.88918149      8.23521123     -8.23881523
  O     12.98929376     16.05761951    -11.50798652
  H     10.73461352     12.46545430    -11.32523978
  H     13.20585901      7.67109716     -8.83685703
  O      8.75599670      8.64136176    -11.59406972
  H     11.77268943     12.76360940    -12.45391770
  H     10.64158747      9.55463464     -6.45275206
  O     13.37107084     13.57999212    -12.75439894
  H     13.52504766     10.46819714     -9.98261845
  H     11.43379297     10.49719902     -7.38138380
  O     14.91489157     14.91095908     -9.71249672
  H     14.60024510      9.80350948     -9.10661870
  H     15.22341444      7.77635431    -10.22756625
  O     11.34214366      7.60792430    -11.33534717
  H     12.81448382     16.94878906    -11.79731759
  H     15.74879884      7.48496911     -8.80701245
  O     11.31442903     15.34668193     -9.49686174
  H     12.32033057     15.84346116    -10.83261186
  H     14.96802325     11.92626869    -10.26739574
  O     15.48831881      7.42382528    -12.01340024
  H      9.08059296      9.17287181    -12.34465170
  H     15.53849199     11.76126175    -11.66971459
  O     13.31487736     14.64239928     -7.53455991
  H      7.92224460      8.26521017    -11.86266904
  H     12.67751189     10.15608929    -15.00647990
  O     10.32437595     12.72922551     -9.58640480
  H     14.02437190     13.20547556    -12.14819388
  H     12.04030983      9.22842108    -16.06167491
  O     12.25745122      7.51554513     -8.76718280
  H     13.23095575     14.49174875    -12.46900681
  H     10.13536564     10.94500166    -13.18857038
  O     10.98364847      9.63819544     -7.34044796
  H     15.22191130     14.11372187    -10.16315925
  H     10.55881849      9.79934082    -14.13063082
  O     15.09309843      7.98417242     -9.28885569
  H     14.39030456     15.39870584    -10.35980534
  H      8.88199776      9.75286746    -10.06362465
  O     15.31793920     12.43446456    -11.01275000
  H     10.40728134      7.84174454    -11.37599069
  H      9.58702630      9.95500650     -8.69812137
  O     12.12864334      9.36084973    -15.12066474
  H     11.58387458      7.46847770    -10.40738777
  H     14.42986412     11.03813734    -14.14446856
  O      9.83404131     10.11054689    -13.57598118
  H     10.79848649     14.53320383     -9.57928619
  H     13.58497908     12.31691122    -14.22014411
  O      8.98130063     10.36618232     -9.32550877
  H     11.88925081     15.21255423     -8.73376471
  H     15.51737950      9.29900488    -12.53435106
  O     13.77226119     11.49468330    -14.68803272
  H     14.65482851      7.35306374    -12.51585910
  H     14.26821980     10.15991029    -12.31229164
  O     15.17403673     10.18799903    -12.66303355
  H     16.09112067      6.79557934    -12.40222599
  H     13.04632895     11.55524086     -8.20634142
  O     12.34266642     12.02054897     -7.72723536
  H     13.64267579     15.18546182     -6.82267693
  H     12.67299319     12.90577988     -7.53127871
          69
 Energy    -250.09193627352306     
  O     16.24767863     11.27424381    -10.75327077
  H     15.62034979     10.75665171    -11.27615048
  H     13.65262474      9.28869086     -7.16023694
  O     15.63928256      5.41308714     -7.49397251
  H     17.12287375     11.10908075    -11.13385096
  H     11.28683775      8.90080795     -7.96236465
  O     16.15227334     13.19597860     -8.82666399
  H     15.89500576      6.13143498     -6.88719818
  H     12.31543397      8.88099954     -9.11496984
  O     13.12088487      6.03981566     -8.68856684
  H     15.84434943      4.59432896     -7.05097100
  H     17.59281113      6.30090574    -14.35520962
  O     14.81388059      9.55584962    -12.38737397
  H     15.73078282     13.99278917     -9.13897172
  H     16.66851524      6.84920097    -13.24395746
  O     18.65482262     10.47961225    -11.81891904
  H     16.11297620     12.55509379     -9.55681267
  H     16.47441500      7.65609492     -9.42620629
  O     20.57708207     11.52125999    -10.07887672
  H     12.83667409      6.89998824     -8.35576907
  H     16.38316160      6.16116851     -9.03501376
  O     18.77787685      7.71816488    -11.26360280
  H     13.94277495      5.81769776     -8.23545317
  H     17.53994434     11.67669545     -5.84339996
  O     12.67925742      6.09171245    -11.35155253
  H     14.93994058      8.60911133    -12.23886125
  H     18.72629800     11.78867535     -4.85286099
  O     15.88208640     11.90989560     -6.27566806
  H     15.44363310      9.78131036    -13.08808481
  H     17.22498432      8.89632094    -14.12153571
  O     12.50760223      8.92267799    -10.86051151
  H     19.37549588     10.90363570    -11.33681781
  H     17.65366053     10.20349365    -13.44431312
  O     14.52275954      9.51127440     -6.81024634
  H     18.69199085      9.53759242    -11.59923455
  H     17.15913302      9.31585584     -8.24887101
  O     12.19916788      8.70812409     -8.16377085
  H     20.00478958     11.97732440     -9.43557179
  H     16.40585668     10.01461043     -9.44781711
  O     17.50285653      7.00563776    -13.71870561
  H     21.36873066     12.04512028    -10.16484612
  H     18.89760603     12.34757029     -7.39342778
  O     16.63327485      6.75501545     -9.75109841
  H     18.12186132      7.31786693    -10.67510278
  H     18.02264456     12.96939800     -8.49600275
  O     18.50031798     11.53794349     -5.74404496
  H     18.54369916      7.42231101    -12.15160251
  H     17.15850193      7.94508774     -6.22359844
  O     17.00521908      9.83404941    -14.05801596
  H     12.83543380      5.99219356    -10.39407314
  H     15.64513938      8.17904835     -6.03599948
  O     16.37631867      9.28545226     -8.81914414
  H     11.99104471      5.47549164    -11.58573503
  H     14.37247983      6.44215057    -11.98854273
  O     18.92391784     12.69205420     -8.29492169
  H     15.85012999     12.37239749     -7.12223947
  H     15.72488347      6.69951201    -11.27143789
  O     16.33905251      7.51219897     -5.94791245
  H     15.31247429     11.13369606     -6.36117747
  H     19.92820306      8.36151605     -9.83637441
  O     15.27138598      6.76427978    -12.12625124
  H     13.19431600      9.32081789    -11.40906230
  H     20.49183664      9.72997464     -9.40501859
  O     20.27871856      8.84661627     -9.07956500
  H     12.45502018      7.99903160    -11.13705312
  H     18.59911198      9.86445335     -6.54928963
  O     18.46190442      9.04107284     -7.03348243
  H     15.13413530      9.42955990     -7.56019474
  H     19.18762252      8.93069468     -7.66590812
          69
 Energy    -250.09130248282278     
  O     -1.31812877      0.18669463      0.13940921
  H     -1.70565068      0.70195371     -0.56469098
  H     -3.18351604     -5.38994918      0.65175893
  O     -2.02828584     -0.86845460      7.44197895
  H     -1.38764293     -0.74557443     -0.12640536
  H      2.86528549     -3.86726029      3.72316274
  O      2.51754679     -1.00415605      2.39000480
  H     -1.97858641     -0.25482122      8.16967540
  H      4.31093773     -3.86401841      3.17097391
  O     -2.29826560     -0.18026673      2.77008557
  H     -2.45798570     -0.39754671      6.70520758
  H     -0.19909750     -2.50099192      2.71564947
  O      1.80739080     -4.22425701      5.03471008
  H      1.74498879     -0.92821422      2.96777810
  H      0.24192090     -3.75579531      1.88721897
  O     -3.77927171     -3.07357068      6.85810975
  H      2.90332782     -1.86729640      2.57590282
  H     -1.83823426     -4.09200679      2.92331571
  O     -0.24458978     -2.58055838      6.12834669
  H     -1.99175092      0.08280732      1.89412683
  H     -2.83722773     -5.23645523      2.64762372
  O      0.20930460     -6.57910815      4.83891096
  H     -2.92493017     -0.90797600      2.64529914
  H      1.59345747     -4.18710951      0.24809354
  O     -5.39164926     -1.77581829      5.08579837
  H      1.24385917     -3.59343562      5.49847878
  H      2.30994744     -4.38248248      1.62521763
  O     -0.16384919     -6.64329697      2.13140031
  H      1.31096172     -5.05110679      4.99357060
  H     -4.70909790     -2.09120552      3.36283972
  O     -3.75191433     -3.78329017      0.15758206
  H     -3.20971631     -2.37651277      7.20719157
  H     -3.63979720     -3.08834688      2.88577979
  O     -2.84810800     -6.21185179      1.05172518
  H     -3.19250417     -3.80516019      6.62907281
  H      1.80802278     -3.05054792     -2.04978442
  O      3.40493010     -3.68893280      2.93108195
  H     -0.73686564     -1.96043503      6.68081085
  H      1.48237382     -2.13148102     -0.84589713
  O     -0.51763068     -3.23102233      2.16970084
  H     -0.80525573     -3.36415500      6.03666318
  H     -0.01288077     -1.55394662      4.65208475
  O     -2.63959909     -4.52273866      3.26495031
  H      0.51312684     -7.44513686      5.09882248
  H     -0.71723330     -0.69422897      3.54706981
  O      1.57980761     -4.69224127      1.07130823
  H      0.04493550     -6.62073000      3.88039062
  H      0.67411054     -0.13653306      0.02255674
  O     -4.13586768     -2.30070212      2.61490579
  H     -4.86809993     -2.30917233      5.71064538
  H      1.93683004     -0.65752823      0.75183680
  O      1.35551798     -3.02765752     -1.21132456
  H     -6.28907757     -1.78023318      5.40779082
  H     -0.51062192     -2.76550549     -0.85735886
  O      0.11977323     -1.10166287      3.80804758
  H     -1.00770323     -6.53305520      1.67944335
  H     -1.11517961     -2.75139145      0.55698295
  O      1.51784620     -0.57529402     -0.11993965
  H      0.47669287     -6.08884220      1.66560057
  H     -4.14541364     -0.32126443      5.25778485
  O     -1.30821562     -2.53076021     -0.36906121
  H     -4.06714137     -3.22102815      0.87598791
  H     -2.96651273      0.27232711      4.46747247
  O     -3.35991495      0.23271823      5.34870450
  H     -2.97526405     -3.33381766     -0.20322737
  H     -1.16817624     -5.55208159      5.69651228
  O     -1.83509102     -4.86862385      5.82880675
  H     -3.41166163     -6.91449539      0.73814208
  H     -2.22829303     -4.73999990      4.95041378
          69
 Energy    -250.09124904909294     
  O     11.78255360     10.33441631    -14.30180798
  H     11.56388518      9.79213204    -13.53423812
  H     16.40900100      4.33432208    -13.92853441
  O     16.21850117      5.55804350    -12.68869334
  H     11.84132408      9.74444537    -15.06300021
  H     19.62564174      6.23690017    -14.21664031
  O     17.55509471      9.57212636    -11.44764719
  H     16.99877374      5.96289302    -12.28608417
  H     21.01023107      6.53679368    -13.59568461
  O     17.03248678      8.94980014    -15.88035337
  H     15.48345477      5.71163711    -12.07813721
  H     15.55493229      9.93433164    -16.49868536
  O     13.10367604      6.49297544    -15.29726634
  H     16.80023566      9.85423468    -11.98489957
  H     14.52134516     10.96651320    -15.99441684
  O     16.11677142      9.10690648     -9.11262742
  H     17.21382490      9.54482211    -10.54226342
  H     15.69920587      7.00850277    -13.68109975
  O     14.34763846      6.27036373    -10.81533773
  H     16.40037526      8.48869064    -15.30713974
  H     14.48258154      7.37729613    -14.55896060
  O     15.22296732     10.11564236    -12.80292085
  H     17.76527784      9.21008440    -15.30488937
  H     10.34854976      8.68268575    -11.62111232
  O     17.37075236      6.79744064    -17.51222347
  H     12.76475945      7.21866221    -15.83754964
  H     11.46933417      7.83395559    -12.26747670
  O     16.69358678      6.26229377     -9.18349316
  H     13.72504908      5.98216210    -15.83962285
  H     12.84581469      6.06291147    -12.08297936
  O     18.74967062      5.40146183    -15.45433254
  H     15.22993998      9.15322436     -9.49360762
  H     12.44446275      6.23358480    -13.58062767
  O     16.57946678      3.73932896    -14.67961090
  H     16.27828100      8.17100450     -8.94696091
  H     18.61918954      9.58323728    -13.08470140
  O     20.07931436      6.72170469    -13.50400631
  H     15.01554388      6.14249137    -10.13032280
  H     19.43197047      8.51656200    -13.83730995
  O     14.67334666     10.29025044    -16.66679780
  H     14.13628205      7.21612148    -10.80267352
  H     18.02226106      7.83631254    -11.43068787
  O     15.28127253      7.73805886    -14.15324360
  H     14.86066224     10.82454267    -13.34568189
  H     18.98838070      6.77334768    -12.02099571
  O     11.21594579      8.73996924    -12.01342972
  H     15.18871286      9.29835279    -13.32362264
  H     15.81951777      5.74969351    -17.03389285
  O     12.11425317      6.27853082    -12.67226485
  H     17.28409311      7.62267911    -17.00474645
  H     15.56615684      4.60607279    -16.04068273
  O     18.96829907      9.35431990    -13.95469134
  H     17.61559105      7.04485825    -18.40010327
  H     12.82919659      9.01265735    -11.03815318
  O     18.26406570      6.89766711    -11.39465423
  H     17.33865574      6.41872133     -9.89278618
  H     14.25052251      9.46386208    -11.43261276
  O     15.11940392      5.21263763    -16.64433846
  H     17.13773958      5.73916982     -8.52064081
  H     13.10471600     11.44387348    -14.37834016
  O     13.74771054      9.00294711    -10.74452401
  H     18.10306690      4.72554486    -15.21798053
  H     13.70857771     12.87269195    -14.39091480
  O     13.93329450     11.95021117    -14.47227404
  H     18.37468329      5.86577465    -16.21276404
  H     11.92849625      8.94407942    -17.49382679
  O     12.38786737      8.82116901    -16.66713729
  H     16.45811357      2.84884629    -14.36097647
  H     13.22329109      9.31801519    -16.73441057
          69
 Ord_Energy   -250.090897    
 O    1.20887148      -2.63622689      0.744703948    
 H   0.632003784      -2.31228113       3.71765792E-02
 H    2.00221229      -2.08777905      0.718984604    
 O    1.88716316      0.321148694       2.96588683    
 H    1.27982438     -0.387871295       3.21143317    
 H    2.43845940      -3.20813097E-02   2.25607467    
 O   -4.05697298      -1.40234685       1.41085112    
 H   -4.05732632      -2.27959824       1.82044101    
 H   -3.38281155     -0.888424516       1.87735796    
 O   -4.96269017E-03  -1.80076289       3.13855410    
 H   0.397052079      -2.09296560       2.30743694    
 H  -0.394157022      -2.58791065       3.53825855    
 O    1.40394795       3.63303065     -0.442465037    
 H    1.21748745       3.34907126      0.469802082    
 H    1.89707303       4.44734478     -0.381993562    
 O   -3.89588046     -0.205124736      -2.70806646    
 H   -3.09657359      0.280353904      -2.98026705    
 H   -4.54612017      -6.67357296E-02  -3.39167452    
 O   -3.61965680      -3.95644069       2.35073066    
 H   -2.87608457      -4.04010534       2.95977616    
 H   -3.33900428      -4.39744377       1.54000092    
 O   -4.39755630      0.994995832     -0.107829638    
 H   -4.28374624      0.661867738      -1.00504291    
 H   -4.48259449      0.213076577      0.450816244    
 O   -3.01902795       3.31940031      0.549930632    
 H   -2.69862509       3.21458983       1.45093060    
 H   -3.57908702       2.54930425      0.363353252    
 O   -1.21611989       3.08745050      -1.45726705    
 H  -0.354946166       3.42539644      -1.18667388    
 H   -1.87086976       3.33420157     -0.783207476    
 O  -0.672939599      0.854576826      0.178118318    
 H   -5.83702810E-02   1.31192052      0.765186071    
 H   -1.01496303       1.52677023     -0.424508810    
 O   -1.66143894       1.15705872      -3.36645555    
 H   -1.54224861       1.93575060      -2.80252838    
 H  -0.794748247      0.742864132      -3.43505239    
 O    3.26407766     -0.704658568      0.680341780    
 H    4.21191263     -0.793212414      0.621135116    
 H    3.00082731      -6.29429892E-02  -2.95217009E-03
 O  -0.201378495      -4.99364281       1.38212895    
 H   0.398858637      -4.29040766       1.09987319    
 H  -0.939624369      -4.99438620      0.759740829    
 O   0.724694848       2.55581427       1.96139061    
 H    1.19022071       1.83783746       2.41878366    
 H   -9.33198333E-02   2.73548484       2.44088602    
 O    2.47390485       1.06645882      -1.22205365    
 H    2.14466476       1.95526993      -1.04650176    
 H    1.94766772      0.714358270      -1.95016170    
 O   -2.57680726      -4.85845041     -0.207493991    
 H   -2.78522825      -3.99321508     -0.596431077    
 H   -2.98186183      -5.51432180     -0.770089805    
 O   -1.83834648       2.70265150       3.15586805    
 H   -2.22201943       2.94167066       3.99582577    
 H   -1.96636450       1.74438286       3.05131531    
 O   -3.11935687      -2.29122233      -1.04008329    
 H   -3.43737078      -1.66925788      -1.70732987    
 H   -3.45060062      -1.97458279     -0.185498103    
 O   -1.15742326      -4.27807426       3.81771040    
 H  -0.988259435      -4.93208075       4.49054050    
 H  -0.781790555      -4.62387848       2.98692107    
 O   0.843692422     -0.249469250      -3.17804742    
 H   0.402568579     -0.807399571      -2.51432085    
 H    1.19433665     -0.837004304      -3.84326172    
 O   -1.95170653       4.82270904E-02   2.47862697    
 H   -1.64318943      0.315857112       1.59911752    
 H   -1.31102121     -0.598288715       2.80586600    
 O  -0.454073429      -1.50658572      -1.12501299    
 H  -0.496125311     -0.657733262     -0.653628767    
 H   -1.35447478      -1.85227787      -1.14739740    
          69
 Energy    -250.09088682603749     
  O     12.69458584      3.20061473    -11.96023559
  H     12.44281850      2.26911380    -11.93533308
  H     16.09262481      6.22254480    -15.54899399
  O     13.20179344      3.84085451    -14.63062060
  H     12.88356350      3.40342230    -12.88880183
  H     15.01741151      9.82087789    -10.46536436
  O     15.26376347      2.88289827    -10.88208463
  H     12.57465125      4.57031546    -14.70665576
  H     14.07094939     11.03958150    -10.32951148
  O     18.34780059      5.14257493    -11.69637328
  H     14.08833140      4.22944900    -14.63475260
  H     14.78218976      7.45984427    -12.59727149
  O     13.47576109      7.77722188    -15.44474030
  H     15.54723997      3.69739259    -10.44602609
  H     13.90917452      6.29984808    -12.06980169
  O     13.67056827      1.06658488    -14.70699372
  H     14.36615642      3.03740801    -11.20711518
  H     11.84171751      6.09006628    -12.62613436
  O     12.45192641      0.40455740    -12.17658866
  H     17.67411202      5.16690245    -11.00083242
  H     12.22374775      4.97433214    -11.62439163
  O     18.38847248      7.85125329    -11.93210501
  H     18.13248055      4.37283970    -12.23395845
  H     16.59394793     -0.19910309    -14.68989375
  O     16.49628107      9.00781766    -10.06562959
  H     14.32152434      7.54221981    -15.84059433
  H     15.35071411      0.67160945    -14.39090247
  O     15.72102954      4.97773953    -14.35527545
  H     13.69533258      8.36599052    -14.70649522
  H     10.74097708      6.33504056    -14.93948824
  O     16.98497563      8.97264611    -14.13764156
  H     13.13856791      0.77472418    -13.95666631
  H     12.23246010      6.74439976    -14.88153271
  O     16.19281267      7.01428511    -16.10479424
  H     13.45941674      2.00099799    -14.83490996
  H     15.68722043      5.84897482    -10.86795830
  O     14.13112465     10.15954500    -10.69096541
  H     11.90380481     -0.31137229    -11.86795186
  H     15.83454877      5.90185958     -9.32778851
  O     14.81821163      6.54558705    -12.28923851
  H     13.35762646      0.22039288    -11.86779153
  H     16.45061735      2.92143427    -12.26936761
  O     12.16600604      5.93460444    -11.72899933
  H     19.28569200      8.14260438    -11.78431321
  H     16.94083373      2.09669194    -13.47460141
  O     16.25453615      0.46273091    -14.09359224
  H     18.41127283      6.87946225    -11.91496129
  H     15.23709108      1.02245543    -11.09491179
  O     11.56739665      6.13744845    -14.50713037
  H     16.23985163      8.35828399     -9.39973951
  H     15.57976472      0.11925743    -12.29410881
  O     16.07943967      5.39123785    -10.10773748
  H     17.12060982      8.57903715    -10.66234279
  H     13.16848557      8.58823346    -10.06343087
  O     17.04148091      2.95055604    -13.03706331
  H     15.44675611      5.54513722    -13.61805104
  H     12.54733833      7.18426735    -10.30094595
  O     15.06744610      0.14953213    -11.47696951
  H     16.25788674      4.26542527    -13.98416802
  H     14.33813462      7.36814236     -8.66399277
  O     12.93169198      7.75930963     -9.62848064
  H     17.51303377      8.54807003    -13.44935983
  H     15.03931170      7.28367838     -7.28599904
  O     15.19240557      7.20693577     -8.22335213
  H     16.85791831      8.32531288    -14.84227334
  H     14.28247147      9.63355647    -12.44501074
  O     14.42719650      9.14923666    -13.26510662
  H     16.60094993      6.72942817    -16.91841281
  H     15.35011172      9.26910427    -13.54312580
          69
 Energy    -250.08891497984359     
  O     16.23310956      8.90904401    -15.71929454
  H     16.77435770      9.02170356    -14.92587234
  H     17.06497644      9.52431821    -17.10035275
  O     14.45765902     12.31823052    -16.00131794
  H     15.33825272      9.17848746    -15.48079949
  H     15.40269066     13.39086154    -11.53820842
  O     18.98384165     12.81038407    -11.48394980
  H     15.24799465     12.27067729    -15.43963771
  H     14.14344033     13.45590629    -10.64506088
  O     14.40208877     10.32145260    -12.28604272
  H     13.94673710     11.54221558    -15.74770326
  H     20.41570156     16.14505694    -14.11188032
  O     17.07029464     11.49680514     -9.89594772
  H     19.30550309     12.26754639    -12.21670060
  H     18.93808214     16.30667017    -13.71089322
  O     17.71566774      9.63891709    -13.44280335
  H     19.64855134     13.49165979    -11.31854770
  H     19.65089412     11.44953498    -14.53835067
  O     15.93627689     12.20979861    -18.38502426
  H     15.05997690      9.78503639    -11.82899920
  H     20.78293201     11.87999853    -13.58823089
  O     19.01791513     14.48224799    -16.69209420
  H     14.44926819     11.19752609    -11.88418459
  H     16.81930879      9.89176396    -10.48091478
  O     20.84745628     14.87536592    -11.36062763
  H     16.27421262     11.99880508    -10.10967326
  H     16.67838334      8.35927156    -10.29996807
  O     18.73799684     11.83030112    -16.09613543
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  H     16.56456634     13.80849196    -18.51927327
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  H     16.70624325     15.11444457    -19.33811595
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  H     18.01308309     15.21245283    -15.26706409
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  H     21.80840807     13.91482723    -14.25757248
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  H     14.74981571     14.24282205    -16.08909566
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  H     12.85858917      9.30570613    -14.83479656
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  O     16.73931427     14.08291120    -12.45019522
  H     17.88305072      9.24189412    -18.38321606
  H     16.96413283     14.70950852    -13.15153294
          69
 Energy    -250.08796055372403     
  O     -9.85789758      0.93549192      3.79032168
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  H     -5.37146238     -1.68655254      2.99414211
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  H    -11.79143841      5.83965669      5.31682439
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  H    -12.66973409      4.61350378      3.75554028
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  H    -12.27478669      1.96613121      6.25059489
  H     -7.62716703     -0.83587301      2.36780965
  O     -6.96249999      5.73533445      2.04195192
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  H     -8.75583191     -1.60512860      1.64557414
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  H     -6.50959452     -0.95065487      5.01716869
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  H     -6.16815471     -0.04588671      6.20268200
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  H     -7.85358053      5.73638608      2.43038393
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  H     -2.90420483      3.53483718      5.10544233
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  H     -6.29755313      5.16801730      5.04965977
          69
 Energy    -250.08795243004644     
  O     15.47075741      9.46623597    -11.49070638
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  H     17.26349580      5.62847819    -12.61920690
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  H     18.58727001      7.42837393     -7.46783177
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          69
 Energy    -250.08768197192180     
  O     12.17133169     11.27932402    -15.90833626
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          69
 Energy    -250.08725576858922     
  O      0.89794538      1.68459941      1.01916682
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  H     -3.95567433      5.14603820      4.83957119
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  H     -2.19353218      2.98363282      2.49789588
  O     -6.24937230      0.34535441      3.51492988
  H     -2.08628783     -1.96399771     -1.32477752
  H     -0.93844925      3.79105158      2.90733559
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  H     -4.14793451     -1.92750335      3.03213211
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  H     -0.07635598      2.07867033      4.62192765
  O     -1.86666457      3.88367725      2.65820534
  H     -1.09377896     -0.41752972     -0.25454040
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  H     -5.14351599     -2.30482803      1.09901527
  H     -3.91486193     -4.09238505      0.88925395
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  O     -3.05924671      1.42547665      2.29208442
  H     -3.16749879      4.26614617      3.84152525
  H     -3.26734216      1.04451751      1.43012324
          69
 Energy    -250.08676010193614     
  O     -4.25484777     -0.12306679      3.61734992
  H     -4.09634141      0.82473954      3.72654902
  H     -6.13053282     -2.65883963      0.66415232
  O     -0.41713330      3.78931888      2.14695587
  H     -3.39651271     -0.54111268      3.46382384
  H     -3.63950515      1.15115289     -0.00924177
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  H      0.00725934      4.63642209      2.03225503
  H     -3.24359792      1.53021559     -1.46034343
  O     -4.17549869     -1.35078935     -2.40573678
  H     -1.29664527      3.86357580      1.74260345
  H     -5.80042710      3.83764783     -0.46481044
  O     -1.99646706     -2.59639446     -1.03978519
  H     -1.58621586     -0.87660030      1.98879093
  H     -5.93941436      5.33829506     -0.11146941
  O     -4.92000335      0.56048399      1.02983405
  H     -1.16864694     -0.90080473      3.47541732
  H      0.40823652      2.08138868      1.87860050
  O     -6.28575097      2.77020832      2.25010809
  H     -4.92221558     -1.46278954     -1.80161444
  H      0.24323891      0.67583668      1.24522318
  O     -8.29178498      0.56880172     -0.80141218
  H     -3.41930765     -1.78424701     -1.99263668
  H     -3.76583217      4.17848390      0.77878390
  O     -3.80736877      2.65172559      3.57271334
  H     -1.50574001     -3.33996246     -1.38001206
  H     -2.84635421      2.98714942      0.45217948
  O     -4.23053128      1.26907796     -3.01363019
  H     -2.41656261     -2.89328741     -0.21142774
  H     -6.58522152     -2.02519589      2.73993942
  O     -6.23174952     -1.30384672     -0.50230682
  H     -5.51358775      1.28601814      1.25933766
  H     -5.97983453     -0.88377969      3.56722703
  O     -5.96624360     -3.28135686      1.39227904
  H     -4.64892018      0.17657373      1.87440426
  H     -0.83659201      1.73915345      4.67562333
  O     -2.92612866      1.52899368     -0.55021866
  H     -5.56424576      2.78803347      2.89322748
  H     -0.88623613      3.06049927      3.89191158
  O     -5.52470215      4.52648673      0.16777518
  H     -6.11860970      3.48147117      1.61977488
  H      0.93348256     -0.15918516      4.81038031
  O      0.74948241      1.17876365      1.89771043
  H     -9.19732129      0.58115918     -1.09806275
  H      0.47528799      0.47721789      3.47435420
  O     -2.95401427      3.73788565      1.05636153
  H     -8.31436371      0.63193596      0.17271430
  H     -7.68920814      1.54128921      2.12887979
  O     -6.82068191     -1.24926522      3.26056199
  H     -3.00642878      2.66049976      4.11723250
  H     -7.80102265      0.02194705      2.38193254
  O     -1.28109906      2.59442513      4.63953888
  H     -3.53206797      2.98557940      2.70891563
  H     -2.73739510     -2.68097800      2.01424281
  O      0.16083710      0.11065764      4.32135120
  H     -4.21302289      0.30481058     -2.87021753
  H     -4.06911683     -3.27818764      1.46725458
  O     -8.18328289      0.75184397      1.87288794
  H     -4.02567202      1.41539229     -3.93283158
  H     -1.22940296     -1.08569835     -0.21631041
  O     -3.11614974     -3.23989066      1.32405729
  H     -5.73052083     -0.68272985      0.05072025
  H     -1.65020696      0.38807297     -0.02871869
  O     -1.05340741     -0.29544533      0.30830497
  H     -7.03419019     -0.82703199     -0.74523621
  H     -6.99257596      1.87720106     -1.29551720
  O     -6.29717889      2.52059581     -1.47777952
  H     -6.48237888     -4.06279381      1.20817488
  H     -5.65516154      2.08488050     -2.05123792
          69
 Ord_Energy   -250.086411    
 O   0.227668762       1.84482467       2.43540049    
 H  -0.243537903       2.67036915       2.61091781    
 H    7.64212981E-02   1.65667272       1.50163603    
 O   -4.57336473     -0.141812906       6.27623606    
 H   -3.70875406      0.269181341       6.13447523    
 H   -4.68683100     -0.756435454       5.54227686    
 O   -2.27082181       1.27912152       5.47016191    
 H   -2.67442942       1.42358971       4.59954691    
 H   -1.44253182      0.820777178       5.28944969    
 O   -7.37413788       4.46422005       6.80612326    
 H   -8.15192986       4.27134466       7.32382679    
 H   -6.93048668       3.61477566       6.64360809    
 O   -6.62638617     -0.409163356       2.29905939    
 H   -7.48129225     -0.715496123       2.00847149    
 H   -6.20095968       1.09781604E-02   1.52754009    
 O   -2.78010702       7.60970488E-02  0.815878987    
 H   -2.47827721     -0.601974010       1.43934751    
 H   -2.00561500      0.454171032      0.382592767    
 O   -5.76444435       4.62125921       2.57348680    
 H   -6.28783178       5.21755266       3.12908459    
 H   -5.95187378       3.72262931       2.88450313    
 O  -0.106049471      -7.72024095E-02   4.32191563    
 H    5.97577393E-02  0.603606761       3.64453936    
 H   0.746733010     -0.402746141       4.59669781    
 O   -6.08661509       2.07633901       3.51581693    
 H   -6.41741133       1.22686148       3.20449615    
 H   -6.08163738       2.07591057       4.48307800    
 O   -5.36411858      0.845714808      0.297072172    
 H   -4.45314741      0.516783416      0.336937636    
 H   -5.30404568       1.80120480      0.186869234    
 O   -6.98092890       6.15339136       4.49219465    
 H   -6.30051374       6.75817251       4.81324673    
 H   -7.21376038       5.59871387       5.24707794    
 O   -3.44755197       3.70351195       6.22102690    
 H   -2.87893414       2.93638182       6.07386780    
 H   -3.38637972       4.27024889       5.43953753    
 O   -4.89755058       5.72135401       7.56241703    
 H   -5.78305721       5.35001087       7.46337318    
 H   -4.28811693       5.01906300       7.29600859    
 O   -5.82295370       2.27127576       6.26322269    
 H   -5.01873541       2.81269670       6.27228594    
 H   -5.53006220       1.35735226       6.39562798    
 O   -2.19271207       3.67720962      -4.73840311E-02
 H   -1.94957316       3.93483615      0.853294730    
 H   -3.15610409       3.68550277      -7.29747266E-02
 O   -3.49884009       5.48006058       4.03486919    
 H   -3.79451013       6.28139305       4.48343992    
 H   -4.23468447       5.18445158       3.48051071    
 O   -1.64312637       3.93320608       2.68136191    
 H   -2.23560023       3.16894031       2.77048135    
 H   -2.08551955       4.64854860       3.15332747    
 O   -4.69073057       7.53758621       5.55351686    
 H   -4.48656607       8.42037868       5.84873438    
 H   -4.73506975       6.97602510       6.34842587    
 O   -4.78890991      -1.77270925       3.93687105    
 H   -5.41208887      -1.32446265       3.34538317    
 H   -5.05176592      -2.69120479       3.95967174    
 O   -5.06743670       3.71126628       7.16930404E-02
 H   -5.54324198       4.19792032     -0.598143816    
 H   -5.30896997       4.11226845      0.922927618    
 O   -2.09573865      -1.57085454       2.87133789    
 H   -1.44948804      -1.13817215       3.44296122    
 H   -2.92598891      -1.62118280       3.35945225    
 O  -0.625578880       1.49049175     -0.283571929    
 H   -1.16934967       2.29991174     -0.296091139    
 H  -0.133233473       1.47493887      -1.09936619    
 O   -3.34723353       1.78295696       2.98335981    
 H   -4.30159569       1.87229645       3.08820319    
 H   -3.17645144       1.19790137       2.23432517    
          69
 Energy    -250.08634425529661     
  O     -1.54027622     -0.74428699     -2.23991063
  H     -1.14962805     -0.39914418     -3.03836904
  H     -0.32070127     -4.27949018      0.63564234
  O     -0.84628746      2.80546849      1.66011850
  H     -1.67118419      0.01160009     -1.64072670
  H     -2.29931278      0.21765514      5.77102881
  O     -2.89514417     -3.42717182      3.87003504
  H     -1.12823755      2.40704569      0.82693722
  H     -2.41969012      1.51797637      6.59601031
  O     -0.12222401     -3.10171769      3.53551185
  H     -0.02909968      2.35903018      1.91296142
  H     -2.20065574      2.60339108      2.80277192
  O     -3.40767191     -3.52775655      0.18330299
  H     -3.52382984     -2.86217561      3.39512132
  H     -2.69842298      1.99596364      4.17126904
  O     -6.14154727      0.05142819     -1.42478308
  H     -2.93326158     -4.27995335      3.42080005
  H      1.15573418      1.12961411      3.48614569
  O      0.57070312      0.71261295      5.06207814
  H      0.02328794     -2.35576164      2.93373248
  H      2.31558047      1.62461874      2.58722167
  O     -2.81068418     -5.62324215      2.02709634
  H     -1.07997696     -3.18846665      3.65015208
  H     -2.89550512      1.68337047     -0.62235044
  O     -4.55378527      2.30726086     -0.72334943
  H     -2.49809837     -3.22541338      0.04273500
  H     -2.22937680      0.68874837      0.36026865
  O      0.06516886     -1.01631395      1.76114870
  H     -3.34598800     -4.32969368      0.71522819
  H     -6.34204698     -0.05643477      0.44591363
  O     -0.77821519     -2.65785081     -0.30917976
  H     -5.46196350     -0.61965321     -1.61413356
  H     -6.06160126      0.81639854      1.68346130
  O     -0.27169375     -4.92324249      1.35438687
  H     -6.82769324     -0.06305646     -2.07667791
  H     -2.69004100      0.66312963      2.48763626
  O     -2.17785558      1.18332307      5.73569806
  H     -0.32448547      0.98071503      5.30088830
  H     -3.21866212     -0.74368370      2.06341919
  O     -2.97662572      2.28873806      3.29452658
  H      0.67478533     -0.18596775      5.39866708
  H     -4.26658598     -2.47714828      1.42393828
  O      1.41942478      1.30042102      2.56335179
  H     -1.87922588     -5.49146098      1.77369936
  H     -5.23533733     -1.36180723      1.96483297
  O     -2.06286714      1.22553754     -0.42780836
  H     -2.96567616     -6.56384074      2.03205424
  H     -3.32341004     -1.43724779     -2.11166226
  O     -6.30410458     -0.07679940      1.41083383
  H     -4.85732177      2.50355849      0.17161409
  H     -4.04770806     -2.48367700     -1.24191891
  O     -2.48131903     -0.12728849      1.97518994
  H     -5.12970401      1.60183948     -1.04587130
  H     -5.87060873      3.30176222      2.38928052
  O     -4.51105132     -1.95915900      2.20366578
  H     -0.84284211     -0.69684435      1.89362389
  H     -4.54859528      2.51435466      2.51295373
  O     -4.19677188     -1.77577414     -1.88157997
  H      0.64775729     -0.26739676      1.92850769
  H     -1.31941741     -1.74116801      6.06500238
  O     -5.38129613      2.57294816      2.01558753
  H     -0.39610976     -2.07982652      0.36736793
  H     -2.58307748     -2.20625718      5.31553158
  O     -2.24724437     -1.52426558      5.90950803
  H     -0.94097641     -2.09621733     -1.07681350
  H      1.14715910     -2.56464579      6.45814492
  O      0.58195689     -2.00799719      5.92918158
  H     -0.02695088     -4.41534265      2.13939378
  H      0.43527677     -2.47361673      5.08749968
          69
 Energy    -250.08609365830648     
  O     17.59651451      3.82358852    -12.98539452
  H     16.67916906      4.12048450    -12.84579890
  H     19.10948142      6.63493870    -12.13177490
  O     16.59664922     13.08538011    -10.59661327
  H     17.67962199      2.97465814    -12.55974958
  H     17.47126151      9.69844238    -17.43199943
  O     19.16374864      9.08996196    -14.90728915
  H     16.32367299     13.99679336    -10.65975428
  H     18.35907400     10.08686194    -16.23688810
  O     14.39470494      5.10390192    -15.63703498
  H     16.52748915     12.70874733    -11.49076655
  H     17.19968991      6.56386567    -15.00880606
  O     17.62621749      9.40390029     -8.68754378
  H     18.34643885      8.57173522    -14.82991007
  H     16.17771136      7.67102214    -15.34248798
  O     15.92039749      7.37357398    -12.23627938
  H     19.86583750      8.43898522    -15.02132025
  H     14.11936330      9.84486429    -14.13231448
  O     16.42161813     11.71736498    -12.97239796
  H     13.64795174      4.68970609    -16.06219161
  H     14.65684111     10.65737208    -15.33045007
  O     20.68912247      6.76431431    -15.10216503
  H     14.43443778      6.01566942    -15.97284584
  H     18.51873056      8.76558857    -11.53989862
  O     15.07290901      4.80003037    -12.83240199
  H     18.12467273     10.16754332     -9.03108305
  H     18.13116553      8.29160629    -10.12472103
  O     18.80193475      6.30307285    -17.25012278
  H     17.83329566      9.33582722     -7.75920959
  H     19.05733907     11.14354472    -10.78050844
  O     17.20638332      4.73410459    -15.61993288
  H     16.26502599      7.40651802    -13.14205133
  H     18.18497930     12.17507345    -10.04411783
  O     19.41819678      6.02332768    -12.81188238
  H     16.68661802      7.52430244    -11.66806185
  H     19.08053041      9.95783400    -13.31669088
  O     17.72903382     10.44409495    -16.87769915
  H     16.29516635     11.93226885    -13.90416763
  H     17.98272145     10.81202857    -12.64727386
  O     16.92877932      7.46026347    -14.77427720
  H     15.77658590     11.03011022    -12.74579138
  H     15.60483867     11.56611278     -9.87179050
  O     14.14525790      9.87352263    -15.09714695
  H     21.60742445      6.51683486    -15.03693563
  H     15.93141599     10.16432411     -9.33782472
  O     18.33484973      7.97348987    -11.01266153
  H     20.26264355      6.47136687    -14.27605914
  H     17.02645279      7.99847126    -19.22085258
  O     18.86355209     11.50235843     -9.90344025
  H     14.70468968      4.90451241    -13.71733118
  H     17.65411449      7.46064159    -17.91717308
  O     18.79325673     10.31621413    -12.46655209
  H     15.23261707      5.69522508    -12.49871181
  H     14.95816752      8.89707975    -12.25530812
  O     15.22703558     10.68862616     -9.73700172
  H     18.28325794      5.60700542    -16.82134397
  H     14.61279171     10.09770529    -11.35211670
  O     16.98105415      8.06945848    -18.27057098
  H     19.52302458      6.49011027    -16.63809357
  H     16.58447070     11.50144436    -16.15481407
  O     14.57218643      9.78460635    -12.26781514
  H     17.42842504      4.30127649    -14.78584351
  H     15.75020124     12.80189944    -16.25150302
  O     15.91752964     12.04493008    -15.69708597
  H     16.24296502      4.72648389    -15.69393349
  H     15.40547386      7.88153865    -17.23068433
  O     14.76537160      7.66350903    -16.54149955
  H     18.82918338      5.26004469    -12.78544073
  H     14.45414591      8.47863418    -16.11487467
          69
 Energy    -250.08560361309731     
  O     16.00915296     11.92921634    -11.36887646
  H     16.58267447     11.60671010    -12.07897378
  H     16.41847111      7.97038504    -16.01981848
  O     14.86102418      7.44523805    -15.14646677
  H     16.23409827     11.40547125    -10.59262063
  H     16.11868779      3.89275941    -12.24837631
  O     13.60881071      6.09407763    -10.95235937
  H     14.08521771      8.02034415    -15.10048266
  H     16.45193465      2.82086085    -13.31666669
  O     17.94344248      6.15360807    -10.22903624
  H     14.60998686      6.62690847    -14.69737413
  H     19.90991305      8.81060171     -9.55725310
  O     16.54396488     11.14242815    -16.01656465
  H     14.08784688      6.90624240    -10.73460029
  H     19.29932005      8.92725516    -10.96725036
  O     11.15465878      7.18413239    -11.62952257
  H     12.67944123      6.34806512    -11.03931320
  H     15.80142606      8.02381941    -13.71203169
  O     12.51894450      8.86025661    -14.66527267
  H     18.27513366      7.03321284    -10.02811651
  H     16.95209856      7.46179176    -12.84443089
  O     14.84513287      8.55384569    -10.68296820
  H     18.11033653      6.03731991    -11.17612308
  H     14.42816284     12.15796817    -12.03336368
  O     19.40288486      7.37707613    -14.95525681
  H     16.66390344     11.84889816    -16.64531859
  H     13.21620719     13.09928516    -12.23409244
  O     11.44069256      6.24810749    -14.36985499
  H     15.61297357     11.17773792    -15.73085336
  H     13.85849881     11.64436518    -14.23515729
  O     18.01320003      5.96607830    -13.00376826
  H     11.05857431      6.87950964    -12.53932563
  H     13.41097902     10.46446844    -15.11889385
  O     17.25377722      8.39181186    -16.26340467
  H     11.47694467      8.09357747    -11.68860163
  H     15.00279766      4.88079280    -10.57535258
  O     16.25392218      3.74642564    -13.20509462
  H     12.00591435      8.04452283    -14.70596776
  H     16.53023780      4.97623390    -10.32288305
  O     19.07777617      8.83271707    -10.02411509
  H     12.55141205      9.11058531    -13.72890596
  H     13.84926537      5.60163617    -12.68547141
  O     16.33673806      8.20161382    -12.92764127
  H     15.38999155      9.04610677    -10.06115058
  H     14.67234623      4.66906562    -13.60389745
  O     13.55372978     12.23573886    -12.45601521
  H     15.38988190      8.42767458    -11.47641236
  H     19.03035120      9.84848703    -12.93915927
  O     14.00612728     11.22378045    -15.09140411
  H     20.09062909      7.20560308    -15.59271174
  H     19.69075566      8.53830652    -13.39129871
  O     15.82813072      4.38185827    -10.62617495
  H     18.65376237      7.75738478    -15.44855639
  H     12.80256124     10.56128194    -12.08896607
  O     13.94645201      5.30422656    -13.60332484
  H     12.28204363      5.80880937    -14.16355220
  H     13.37576415      9.26283171    -11.48468462
  O     19.65714852      9.16509949    -12.66084891
  H     10.91226753      5.61522860    -14.84987563
  H     16.79277233     10.27520518     -8.31685908
  O     12.62918302      9.61721041    -11.98897497
  H     17.50157288      5.19189105    -13.26740801
  H     17.56559271      9.68003114     -9.51409397
  O     16.73195563     10.10393658     -9.25373770
  H     18.53998735      6.27586707    -13.75124544
  H     17.06048527      9.82656397    -13.23656011
  O     17.46271371     10.69567866    -13.39446592
  H     17.06890995      9.33862116    -16.28073193
  H     17.24204878     10.94036643    -14.30080716
          69
 Energy    -250.08558664013202     
  O     13.00008542     15.64803436    -15.52493117
  H     13.38331828     15.53890257    -16.40360129
  H     16.44203931     15.21277642     -8.73649943
  O     14.45401591     11.97198655    -15.03540474
  H     12.20835255     15.09874032    -15.50891545
  H     15.44449763     13.00260331    -16.08409529
  O     16.35627842     10.29556394    -13.72552584
  H     15.04032375     11.40908696    -14.51582913
  H     16.67594957     13.93050170    -16.10573795
  O     11.80923112     11.78664484    -14.13235173
  H     13.59658242     12.00094093    -14.59344367
  H     14.19392802     15.58105230    -14.23478628
  O     13.27751664     10.87811915    -17.33555698
  H     15.81188814      9.78814800    -13.10847403
  H     15.69938220     15.21488282    -14.03679354
  O     10.76804251     13.83818678    -15.72647209
  H     16.49313980      9.74673369    -14.50820244
  H     16.39882161     12.93255189    -12.24828979
  O     14.84553198     13.62106824    -11.53702884
  H     11.61564083     10.97478627    -14.61950077
  H     17.08913718     11.78143789    -13.01971499
  O     16.25757853     17.12780687    -11.78330414
  H     11.38432628     12.51359998    -14.60631649
  H     14.66069506     15.56485331    -18.68698109
  O     17.42902301     14.64717146    -14.58978172
  H     12.61138783     10.28450636    -16.97057625
  H     14.93700695     14.48004455    -17.62044967
  O     18.65811563     16.58723206    -12.94122693
  H     13.73047589     11.25012591    -16.56263308
  H     12.33634992      8.90420777    -15.33959649
  O     16.34918344      8.78256725    -16.06863278
  H      9.89066197     14.18314148    -15.86959479
  H     10.85677494      8.75656097    -15.77279021
  O     16.32899139     15.15810433     -9.68135390
  H     11.13339692     13.62037695    -16.60339482
  H     14.51333145      8.47451914    -11.32792842
  O     16.05239868     13.46810451    -16.68097400
  H     14.72992744     14.26062223    -12.25655443
  H     14.00900789      9.79675982    -11.95925650
  O     14.89319622     15.47542989    -13.57441510
  H     15.22109951     14.10646492    -10.79195672
  H     16.22433478     11.72988307    -17.57340860
  O     17.23524833     12.66359376    -12.65512301
  H     16.20103279     16.60854610    -10.97230106
  H     15.06560506     10.78042435    -17.93269569
  O     14.23677993     15.01002272    -18.03750922
  H     15.65606730     16.69864829    -12.40921398
  H     14.00844397      8.36428928    -13.86552657
  O     11.55476846      9.39470755    -15.65470497
  H     17.43299010     13.90198559    -13.96968327
  H     14.63226163      8.32953709    -15.28136184
  O     14.48503432      8.96539575    -12.14407044
  H     17.94541681     15.34792814    -14.17389966
  H     12.41174182     12.39312875    -17.94718544
  O     16.02821897     10.82422642    -17.84309327
  H     17.82517290     16.88160272    -12.52978127
  H     12.72837381     13.88129083    -18.19713341
  O     13.81015324      8.19459092    -14.79552663
  H     19.20616798     17.36101365    -13.03763996
  H     18.30141217     13.71571141    -11.53571818
  O     12.00085102     13.26062364    -18.06409687
  H     16.93963055      8.12730348    -16.43113387
  H     18.80663451     15.16804653    -11.62228166
  O     18.61333422     14.45759354    -10.99835402
  H     16.28216946      9.49307395    -16.73020334
  H     13.77070379     12.13018177    -11.63031628
  O     13.26308482     11.32236419    -11.78672939
  H     17.19139540     14.90059207    -10.05416577
  H     12.62120577     11.52518351    -12.47970126
          69
 Energy    -250.08490348260960     
  O     10.02896964      6.31431953    -12.66866855
  H     10.44406012      5.78960146    -13.36243633
  H     15.93398505      7.28129250    -14.07445665
  O     13.35611054      4.33192097     -8.64616809
  H     10.43070049      7.18977064    -12.72536290
  H     13.52861305      5.14153992    -12.19316972
  O     16.78124007      8.68782154    -13.38008233
  H     12.91426489      5.17057429     -8.46611689
  H     14.51529691      6.16990007    -12.80419341
  O     17.43097831      4.55762925    -13.77510046
  H     14.23331085      4.54814330     -8.98888492
  H     10.57977139      4.40936916    -10.20907708
  O     17.21038768      7.45027980     -9.74611650
  H     16.32045395      8.88551430    -12.55249290
  H     10.07174409      5.64242789    -11.00099646
  O     12.15195232     11.25231634    -13.50291258
  H     16.65556585      9.44607315    -13.96406826
  H     16.43219682     11.40030767    -15.65262915
  O     11.76341059      6.71663186     -8.44381786
  H     17.81659887      5.23572821    -13.19126142
  H     15.19796361     10.53984618    -15.28714519
  O     12.90703817      7.30108854    -15.00438453
  H     18.14952581      4.19767462    -14.28852732
  H     12.62325253      7.67835041     -9.75272932
  O     15.62918850      3.08755248    -12.11540650
  H     17.67122653      7.84220984     -9.00806381
  H     13.36069978      7.23866361    -11.04861980
  O     14.81228632     11.48192474    -12.43141771
  H     16.63428470      8.14314526    -10.10916179
  H     17.98646946      7.40558334    -12.74493569
  O     15.69716332      5.04802030    -10.01594071
  H     11.88228325     10.36025322    -13.22290894
  H     18.09277861      6.79063760    -11.34976427
  O     15.45189937      6.48183302    -14.33424757
  H     11.37189323     11.79950445    -13.46638103
  H     15.29551998     10.13775964    -11.33752499
  O     14.00007306      5.96466098    -12.01396448
  H     11.27314323      6.99521397     -7.67548443
  H     14.63401449      8.87272143    -10.73480610
  O     10.21083251      5.29357851    -10.10813439
  H     11.13713041      6.23878719     -9.02057735
  H     13.02383950     10.49832012    -15.02666934
  O     16.05937061     10.85928803    -14.96236545
  H     12.38439957      6.48998785    -15.00168059
  H     13.29733007      9.08335759    -15.58262180
  O     13.06342200      8.01367360    -10.54264551
  H     13.82561423      7.01851882    -14.88403195
  H     12.34713925      3.32348269     -9.63471624
  O     18.33216091      6.63649810    -12.27053302
  H     16.26269508      3.47863672    -12.72990181
  H     11.51495661      2.03254272     -9.82624250
  O     15.48959455      9.27310127    -10.94542834
  H     15.77302328      3.55147471    -11.28086672
  H     12.15444115      8.18058242    -13.54600499
  O     13.57981843     10.00430185    -15.64308371
  H     15.31400587     11.43600372    -13.25412490
  H     12.11983250      8.48698793    -12.01013438
  O     11.74215056      2.85959010    -10.24257098
  H     13.88529344     11.48977783    -12.70086514
  H     12.05403020      4.28180597    -13.99078071
  O     11.67430181      8.65642446    -12.85284920
  H     15.13045280      5.38323238    -10.72802694
  H     11.16481317      4.22252399    -15.25173425
  O     11.55267604      4.82513148    -14.62152916
  H     16.27757878      5.78168401     -9.78608384
  H     13.88442068      3.21017553    -12.56296127
  O     12.95661708      3.47148305    -12.67217848
  H     16.08046821      5.75085661    -14.30150302
  H     12.47996981      3.18338531    -11.88188322
          69
 Energy    -250.08481181240660     
  O     13.10421611     10.85669954    -16.35266402
  H     13.72354160     11.50509163    -15.99914813
  H     16.59532091      5.87908158    -15.69289427
  O     15.31774128      6.58945441    -12.96173634
  H     12.45152229     10.68075284    -15.66433354
  H     18.71377477      7.39757308    -14.27344402
  O     16.87920206     10.48281682    -11.30065277
  H     14.44063408      6.77840373    -12.60035394
  H     19.07888672      8.64560549    -13.42717901
  O     17.33656947     10.79575072    -15.29602063
  H     15.97040019      6.87019880    -12.30817455
  H     15.43116783     13.43585187    -15.66960654
  O     13.37610744      6.17734098    -16.58972687
  H     16.53267361     10.43757822    -10.39685426
  H     16.02072715     12.03332253    -15.39585051
  O     12.81160574      9.96877585     -9.22353734
  H     16.14368169     10.75638385    -11.86547654
  H     15.11123293      8.74979121    -15.38812400
  O     12.84510264      7.31749365    -11.99053795
  H     16.76251307     10.05936053    -15.02852985
  H     15.47841031      8.06572730    -14.03206960
  O     14.76164691     11.05115190    -13.00513388
  H     18.02060350     10.84973180    -14.61801019
  H     11.30900939      9.07534228    -14.55445056
  O     17.32155915      8.91975892    -17.43563099
  H     14.22460602      5.87785614    -16.21499155
  H     10.20585289     10.15054387    -14.69786292
  O     13.31840272      7.12924551     -9.29632705
  H     13.05982609      5.47400517    -17.15033133
  H     16.59455061      7.24517591     -9.66746889
  O     18.24426664      6.78763656    -16.01359878
  H     12.14068686     10.43895269     -8.73426927
  H     16.68732583      6.61022451     -8.26246807
  O     15.73468481      5.51168511    -15.46109458
  H     12.59451533     10.07520505    -10.16414666
  H     12.28903634      6.94636478    -15.24686853
  O     18.94944228      7.69125405    -13.38474639
  H     12.93518593      7.08018221    -11.05596569
  H     12.08752054      7.16584808    -13.72076444
  O     15.21945815     12.57772766    -15.31138172
  H     12.71352192      8.27409518    -12.00660767
  H     18.31225063     10.60020325    -12.36988803
  O     15.47633878      8.90451136    -14.50708533
  H     14.83768925     11.77126022    -13.64121936
  H     19.77223338     11.00863404    -12.66512328
  O     11.11468710     10.02422127    -14.43743052
  H     14.92871394     10.23745967    -13.51039965
  H     17.06339901      8.63007133    -11.27329840
  O     16.14501195      7.17376454     -8.80853941
  H     16.35921381      8.83014368    -17.49956391
  H     17.91713713      7.53337732    -11.94902396
  O     11.75639994      7.41446366    -14.59368896
  H     17.47696781      9.69918424    -16.88858079
  H     15.84213272      9.07706429     -8.70243602
  O     19.00622373     10.59100836    -13.05106002
  H     14.25678919      7.04428806     -9.08678162
  H     14.70175971     10.07784664     -8.96212168
  O     17.23992752      7.67956647    -11.27099125
  H     13.09454253      8.05304024     -9.12695939
  H     11.83217575     10.16967930    -12.72084615
  O     15.66242003     10.00382806     -8.90399548
  H     18.91263401      6.33406948    -16.52196854
  H     13.25109388     10.53380026    -12.24351817
  O     12.41576018     10.13760369    -11.95251929
  H     17.94252137      7.53527101    -16.55790342
  H     14.04622604      7.85301970    -17.08846968
  O     14.55441838      8.67162792    -17.13455539
  H     15.60448290      5.71939872    -14.52411218
  H     13.95661887      9.42034164    -16.98524885
          69
 Energy    -250.08468376326138     
  O     17.81349428     13.89641686    -16.52909148
  H     17.82509944     14.80097944    -16.82949107
  H     18.81341260      6.82906489    -10.75331526
  O     16.87351970      6.61024252    -10.81766652
  H     18.73048909     13.56751269    -16.58361955
  H     20.16878730     10.54629378    -19.34538309
  O     19.72422457     12.35684927    -12.45684960
  H     16.69647316      7.52867690    -11.08077775
  H     19.61235604      9.64611354    -18.22166327
  O     20.24932229     12.75633306    -16.72890356
  H     16.34829373      6.44535601    -10.03824739
  H     17.46079449     10.53819755    -16.17530474
  O     16.51204366      7.15665274    -17.89289073
  H     18.88914043     12.58701247    -12.88573482
  H     17.04204576      9.56635254    -15.02596357
  O     16.61034175      9.17784587    -11.75139741
  H     19.58866437     11.49026885    -12.05037508
  H     18.00340730     11.19131344    -18.16182128
  O     15.87978291      8.33106404    -14.27686183
  H     20.76823891     12.51851350    -15.95054111
  H     17.24193376     12.33650012    -17.43483979
  O     20.33279455      5.21501643    -13.02245522
  H     20.20378458     11.97191404    -17.28930395
  H     20.80941255     10.27977814    -14.56620758
  O     15.22123733     11.33160500    -12.77357542
  H     16.13662419      6.70056845    -18.64178821
  H     19.36366156      9.79502290    -14.89270302
  O     17.64630609      4.83435045    -12.92397821
  H     15.99919217      7.97639005    -17.78101713
  H     16.93136364      6.39374637    -16.24630303
  O     15.16907895      9.49919009    -17.59164983
  H     17.54746700      9.42129435    -11.78026210
  H     18.18257502      6.44491846    -15.32946798
  O     19.73114380      7.08611886    -10.90517940
  H     16.08831012      9.96713949    -11.95686622
  H     19.58271016      8.79830312    -11.44103940
  O     19.73029792     10.57206542    -18.49856351
  H     16.32089846      7.52632954    -14.57641290
  H     19.66560025      9.54031855    -12.79592123
  O     17.69937309     10.21872097    -15.29690419
  H     16.15301480      8.52063702    -13.36868083
  H     22.45967006     12.18683086    -14.05667257
  O     17.14899267     11.44091617    -17.78416399
  H     20.82415195      4.40734488    -12.89726265
  H     20.96332361     12.18898070    -13.65754858
  O     20.22772142      9.51128601    -14.55312007
  H     19.38818268      4.98055566    -12.97020848
  H     20.13517273      7.79089776    -14.97582011
  O     17.24290696      6.20873608    -15.35135092
  H     15.88195651     11.95023960    -13.11389359
  H     20.22082743      6.29845791    -14.55443770
  O     19.33739050      9.62022707    -11.89022510
  H     14.69076797     11.06994381    -13.53395397
  H     13.02340780      9.67628645    -14.87232505
  O     21.58730759     11.97101832    -14.37432934
  H     17.34403115      5.19324572    -13.76906769
  H     14.52451145      9.32070042    -14.76643849
  O     19.94505765      6.88621367    -15.26823483
  H     17.27231547      5.39354704    -12.23131006
  H     17.43486215     13.25236136    -14.75902158
  O     13.89904174     10.00789286    -15.05966867
  H     15.75285928     10.24595501    -17.78451761
  H     17.50939242     11.76941501    -14.37229173
  O     17.38082655     12.65688327    -14.00310255
  H     14.64984136      9.75358099    -16.82034779
  H     18.33952990      7.70785353    -17.89105494
  O     19.25217582      8.00596629    -17.79593231
  H     20.06322612      6.48115449    -11.57932949
  H     19.60691055      7.55049585    -17.02265448
          69
 Energy    -250.08441959947552     
  O     -1.76180303     -1.39036325      4.58028841
  H     -1.13815293     -0.71967324      4.89153386
  H      4.60261567      0.59078125      3.09497830
  O     -3.39232645     -0.27397530     -0.00107527
  H     -1.25528153     -2.04345475      4.07687204
  H      0.91978841      1.59732378      2.19219219
  O     -5.84292034     -0.87478972      1.08181185
  H     -2.97485124     -0.11186983      0.85796884
  H      2.19614512      1.49612293      3.07345829
  O     -5.08724190     -3.28563581      2.42620934
  H     -4.31901316     -0.46485622      0.20020101
  H      2.79580790     -2.50343622      2.59478632
  O     -0.29925164     -3.04955538      2.91273248
  H     -5.94918206     -0.26640927      1.82225997
  H      2.22193822     -1.86192573      1.31308797
  O     -2.60833578     -3.79804795      1.48582898
  H     -5.66062456     -1.73603260      1.48096319
  H     -0.96617607      3.69243346      4.15923112
  O     -1.90730802      2.78999116      5.61738976
  H     -5.56100180     -4.11206904      2.46808318
  H      0.15803720      3.35167252      3.16947169
  O     -3.73827512      2.38363396      3.61538273
  H     -4.19835815     -3.49239734      2.08650103
  H      1.49040081     -0.38126825      5.49544604
  O     -5.92206225      0.68869041      3.53903994
  H     -0.01598306     -2.55066101      2.13292661
  H      2.84884365     -0.40763780      4.76809434
  O      0.49196094     -1.69862093      0.58735320
  H      0.50383421     -3.29760602      3.38716105
  H     -2.72600896      1.03840951      2.85337461
  O      2.15367843     -3.35994365      4.20736125
  H     -1.82982159     -3.69089201      2.04717196
  H     -2.11875230     -0.35614981      3.14001767
  O      3.67925753      0.39238604      3.22456639
  H     -2.37550883     -3.41510732      0.63167622
  H     -2.41187027     -1.60098829     -0.63763403
  O      1.31891534      1.89401849      3.02434669
  H     -2.62692591      2.62755947      4.98373406
  H     -1.99809795     -2.54700441     -1.78895429
  O      2.99493957     -1.87190155      1.89251898
  H     -2.30348465      3.19018553      6.38726520
  H     -1.91166308      3.98640661      2.10015716
  O     -0.61510687      3.91880759      3.29016791
  H     -4.57537505      1.90813053      3.52705730
  H     -2.88340332      4.86064286      1.27445565
  O      2.28770350     -0.91156743      5.37118818
  H     -3.60511594      2.96110570      2.85148947
  H     -2.34257539      2.78899216      0.03164212
  O     -2.24201917      0.30798133      2.45115009
  H     -5.44512481     -0.05931297      3.94604528
  H     -2.62290883      1.40555369     -0.59392961
  O     -1.84633530     -2.35908483     -0.86637049
  H     -6.77122524      0.74031713      3.97019603
  H     -3.62593214     -1.46018503      4.67722564
  O     -2.71383759      3.96202635      1.54710571
  H      0.38063444     -0.73776173      0.63777280
  H     -4.75382068     -2.14138799      3.87012418
  O     -2.04312815      2.17672341     -0.65174997
  H     -0.19451469     -2.01172989     -0.01373219
  H      0.42410483      1.09558285      4.42338238
  O     -4.57689496     -1.43858733      4.50956990
  H      2.18739867     -2.52160525      4.70285473
  H     -0.63917709      1.39529295      5.49833323
  O     -0.02405932      0.71732675      5.19421679
  H      2.58318409     -4.01784021      4.74682897
  H     -0.79924819      0.73281031      1.52339534
  O     -0.10533307      0.97174770      0.88739650
  H      3.47992836     -0.39008231      2.67941354
  H     -0.56826372      1.45512538      0.19056929
          69
 Energy    -250.08328952765544     
  O     14.33703127     10.31539987    -17.24094834
  H     13.87329155     10.97229040    -17.75214298
  H     18.70809470      7.19990228    -17.59318119
  O     15.49582772      6.74008851    -12.44453176
  H     14.19612979     10.53736300    -16.30075372
  H     16.85447882      7.18214447    -14.95252151
  O     18.53601638      9.64654471    -12.97041669
  H     15.65347772      7.23212522    -13.26689382
  H     15.45059350      7.66210532    -15.46612022
  O     20.15056958      7.05734768    -16.33793419
  H     15.01512631      5.94381778    -12.69876767
  H     14.75928272     10.90998950    -14.01852239
  O     12.57748821      6.90067564    -14.50241270
  H     17.64066469     10.00966290    -12.99189117
  H     13.34653878     10.30168804    -14.12081511
  O     16.91283474     12.07274470    -10.23792943
  H     18.97061820     10.03055120    -12.19499749
  H     18.80154710      7.49770860     -8.86033619
  O     14.35953902      8.92885980    -11.25642954
  H     21.07680548      6.93518827    -16.52476672
  H     18.36898121      7.63996570    -10.33372289
  O     15.98279447      4.49573694    -15.61393576
  H     20.04038799      7.97950746    -16.03882988
  H     11.29286718      9.31386239    -12.95759969
  O     16.03469729      9.74419182     -9.15811883
  H     12.99842080      7.10364474    -15.34973511
  H     12.32067030      8.33171414    -13.56793445
  O     18.21393845      5.90726864    -14.68445145
  H     12.98977802      6.08714209    -14.19080741
  H     18.82960182      9.84512707    -16.04309881
  O     14.11279182      4.63051345    -13.66223698
  H     16.56309148     11.29496692     -9.76516648
  H     19.33450771      9.63155121    -14.60603219
  O     17.87725975      7.40090152    -18.03879563
  H     16.67747556     12.83881334     -9.72201627
  H     18.34914395      7.93022436    -12.43844183
  O     16.17426260      7.86372788    -14.85693090
  H     14.72998514      8.08833136    -11.56393316
  H     17.26604080      6.86283229    -12.08280961
  O     14.00875567     10.79809874    -14.61627302
  H     13.54167925      9.05790912    -11.75229684
  H     18.63518663     11.22616985    -10.37975218
  O     18.36900683      8.08785353     -9.47305563
  H     15.87598574      4.83493120    -16.50988917
  H     19.12686548      9.80789331    -10.03491473
  O     12.22760596      9.16693676    -13.07455502
  H     16.82876286      4.83851217    -15.29347210
  H     16.53645920      6.33360276    -18.17312420
  O     19.59956477      9.56051857    -15.53416296
  H     16.76458843      9.11367375     -9.19285751
  H     15.68738927      5.35829543    -19.02484907
  O     18.21717384      7.04730865    -12.05647711
  H     15.35716274      9.41681563     -9.76609813
  H     16.29900524     11.39837444    -11.91306907
  O     19.36062676     10.60507372    -10.52639101
  H     18.95172659      6.22158210    -15.22366324
  H     15.44961541     10.13359833    -12.14621790
  O     15.73143850      5.78388299    -18.17305803
  H     18.39174714      6.15632270    -13.76920928
  H     16.81730523      9.20217481    -15.94974427
  O     15.99381729     10.79278208    -12.60045567
  H     14.75762826      4.53350819    -14.38648251
  H     16.22290154     10.11465092    -17.03252811
  O     17.05611700      9.75399473    -16.71077713
  H     13.82875635      3.75141175    -13.42780065
  H     14.14420391      8.45500292    -17.06248746
  O     14.09980544      7.54675099    -16.73593159
  H     17.60700159      8.26998923    -17.71279968
  H     14.56453667      6.96805788    -17.35392254
          69
 Energy    -250.08313016074783     
  O     11.69142093      9.53348315    -15.67555040
  H     12.06881738     10.39979660    -15.86321666
  H     16.50075158      5.99922115    -14.18167342
  O     16.39113279      7.31503979    -12.86476314
  H     12.33613499      8.89349052    -16.01061339
  H     19.27686953     10.58893984    -12.97696491
  O     16.12702234     11.57561882    -11.67944788
  H     16.90656432      7.83987669    -12.24136866
  H     19.60233137      9.26469072    -13.68606925
  O     17.44143230     10.78265226    -15.57506479
  H     16.08480410      7.93774013    -13.54375460
  H     15.41621833     10.18197538    -17.88865221
  O     13.55539856      5.29790192    -15.32291573
  H     15.61045635     11.47136492    -10.86774687
  H     16.15397184     11.11640682    -16.91942093
  O     14.38956414     10.80334400     -9.69614664
  H     15.47427558     11.56374929    -12.39553532
  H     14.85140890      8.69389339    -15.27341039
  O     14.14901629      7.36097705    -11.25920966
  H     17.67767422     11.36529789    -14.84292687
  H     14.92334632      9.85082259    -14.22852692
  O     14.12308785     11.29714165    -13.52004609
  H     16.77200538     10.15969040    -15.24757974
  H     10.97865777      8.96998817    -14.21692367
  O     17.52195380      7.21003256    -16.89524486
  H     13.13300751      4.47861837    -15.56670742
  H      9.70352412      8.65455694    -13.39597305
  O     15.75465824      8.32468773     -9.12147714
  H     13.10585236      5.61565349    -14.51917942
  H     11.69004880      7.02374376    -13.21792469
  O     19.46626815      8.91456453    -15.61500113
  H     13.66800584     10.53026099    -10.27736771
  H     12.89676119      6.54088873    -12.38780355
  O     16.40520621      5.52241201    -15.01746099
  H     14.76242831      9.98944056     -9.33589132
  H     18.57397406     13.10320993    -13.11828845
  O     19.56248596      9.68057309    -12.81693459
  H     14.89079863      7.25194493    -11.87346952
  H     17.52691740     12.07539412    -12.63529214
  O     15.36351801     11.05030117    -17.47121530
  H     14.55098469      7.54736890    -10.40336428
  H     18.34847249      9.24590698    -11.56157928
  O     15.42965690      9.13827354    -14.64043188
  H     13.69055529     11.59793555    -14.32769170
  H     17.00874727      9.96529270    -11.29185773
  O     10.65563341      8.62747427    -13.36321182
  H     13.49026844     10.81492015    -12.96651696
  H     16.35804084      7.94923744    -17.90147324
  O     12.32724165      6.30489544    -13.13153615
  H     17.17041546      6.55635496    -16.27192284
  H     15.76040436      8.06243746    -19.32496270
  O     18.25113891     12.21827836    -13.26841945
  H     18.24496245      7.65742486    -16.44485494
  H     13.21952915      8.90531751    -11.61693513
  O     17.51580121      9.17149394    -11.07249517
  H     16.16990677      7.97991451     -8.33507486
  H     11.88832928      9.41067671    -12.21241876
  O     15.63969141      8.35203961    -18.42504984
  H     16.47184633      8.56730136     -9.73189949
  H     13.93915039     11.61733078    -16.61813466
  O     12.69559760      9.70485281    -11.77226947
  H     18.79935136      9.61643649    -15.70450811
  H     12.88884828     12.74329510    -16.48781484
  O     13.17855545     11.92494962    -16.09339945
  H     20.20632142      9.16905772    -16.16238222
  H     14.31238151      7.91320763    -17.22744578
  O     13.73599525      7.84245670    -16.45581115
  H     15.46265323      5.34094247    -15.10720630
  H     13.69639826      6.91793956    -16.17820361
          69
 Energy    -250.08250238073344     
  O      9.61589893     11.92483954    -10.41716750
  H     10.00255733     11.72800792    -11.28833723
  H     13.87707689     12.26952822    -13.38294203
  O     13.04923346      9.64175211    -16.51809459
  H      8.67020438     11.95815014    -10.53563660
  H     15.47175787      7.92196345    -13.04655312
  O     11.65564038      7.45010042    -10.63414901
  H     12.19382065      9.21080001    -16.39162344
  H     16.63613770      8.51229848    -12.22047557
  O     14.13683351      8.67760585    -14.18210781
  H     12.87818390     10.58799029    -16.44317281
  H     14.03907196     13.78141266    -10.53673321
  O     13.04164912     12.97120294     -7.18490107
  H     12.59854798      7.36216491    -10.43502477
  H     13.94045479     15.24300763    -11.02941995
  O     12.34916396     12.42048938    -16.06981478
  H     11.34806833      8.17595550    -10.07566639
  H     14.86428107      7.97446531     -9.31310952
  O     11.55144440      8.63246776    -13.09379064
  H     13.91909485      8.94308203    -15.08734147
  H     15.04480205      7.64372103    -10.84021425
  O     15.48339864      8.83799090     -7.74813005
  H     13.28872536      8.57130770    -13.72925442
  H     18.39760617     10.37725734    -12.07731165
  O     13.65627712     10.38522364    -10.74515236
  H     12.97448922     13.57880618     -6.45346362
  H     17.31308720     10.40199051    -10.97440063
  O     13.15045272     10.12323769     -7.21380215
  H     12.37869126     13.24844941     -7.84272348
  H     11.63810780     11.88577010    -12.93220911
  O     11.31031129      9.93632405     -9.32336139
  H     12.63482753     12.66981521    -15.17620386
  H     10.36124977     11.34373214    -13.63008122
  O     13.12516798     12.88058525    -13.44309277
  H     12.57467334     13.15050906    -16.64165167
  H     14.32058935     11.75815026     -9.79803609
  O     16.06037206      7.74254342    -12.30083745
  H     11.33879996      9.54978072    -12.88071720
  H     14.26493230     12.70904563     -8.56818493
  O     13.52488846     14.38638041    -11.09833864
  H     11.53707779      8.12913795    -12.26673335
  H     14.78063489     10.20292243    -13.55335824
  O     14.39601058      7.77326387    -10.13141254
  H     15.76796043      8.36758190     -6.96893329
  H     15.94354846     10.85776659    -12.74993330
  O     17.46774179     10.23637698    -11.92138813
  H     14.65196103      9.28893210     -7.51422342
  H     10.60893703     11.67292983    -15.72728139
  O     10.83634705     11.36883199    -12.78510693
  H     13.92507607      9.47877926    -10.53558820
  H      9.95714488     10.28528532    -15.55621662
  O     14.71115194     12.55878945     -9.41143312
  H     14.07676207     10.60766871    -11.58382622
  H     16.28313065     11.50152744     -9.28996766
  O     15.05626431     11.01259526    -13.09660960
  H     12.42804800      9.94537674     -7.83136627
  H     16.50308289     10.07405026     -8.75811055
  O      9.85441492     11.21900055    -15.32970684
  H     13.11700939     11.07373022     -7.05533726
  H     10.74313874     13.17757970     -9.60449962
  O     16.89157486     10.75252330     -9.32462530
  H     10.61451965     10.55818831     -9.56089667
  H     11.98303703     14.04181592     -9.93174779
  O     11.40991593     13.75490211     -9.21172637
  H     12.06941455     10.15765725     -9.88604758
  H     10.14813030      7.65042239    -15.85414813
  O     10.56792752      8.48298268    -15.65438904
  H     13.21601290     13.50128724    -12.71065177
  H     10.87649706      8.42650910    -14.73347384
          69
 Energy    -250.08189542389977     
  O     12.29502885     12.85872185    -15.09409382
  H     11.42304966     13.16840747    -15.32534569
  H     15.53689683      7.31514042    -15.74757117
  O     17.85618829      6.77239314    -13.69817251
  H     12.44271473     12.03601223    -15.58994360
  H     18.03322938     10.76780088    -14.16482313
  O     19.14601204     10.76560456    -12.82890216
  H     17.06871794      6.23456443    -13.55230422
  H     16.50498809     10.46808482    -14.13616099
  O     16.27449381     13.34462332    -13.65544176
  H     17.73902903      7.19319325    -14.55862172
  H     15.40471692      8.76811346    -18.47460350
  O     15.38492818      5.36581482    -13.33165445
  H     19.17867216      9.90583248    -12.39450566
  H     16.54740877      8.98785260    -19.49799944
  O     15.78031957     11.22631026     -9.38986003
  H     18.72741512     11.37408547    -12.20058746
  H     14.73116796     10.82967421    -12.82407398
  O     14.44648950      6.89020275    -11.30521967
  H     16.75393002     12.57655315    -13.98580900
  H     15.59161570      9.64500248    -12.23911874
  O     13.81416904     12.42202646    -12.74625466
  H     15.85652907     13.73748035    -14.43703170
  H     13.95397311     10.78544934    -16.50833139
  O     13.82322141      8.21987658    -17.93777848
  H     15.02066328      5.88591089    -12.59284463
  H     13.04419500      9.90027000    -15.58912665
  O     16.32780143      8.86816650    -10.77009773
  H     15.32189292      4.44834414    -13.07984843
  H     19.62260120      7.69645786    -11.24869786
  O     17.11858152      8.24613205    -16.01471669
  H     14.85558869     11.16021019     -9.68791435
  H     18.56942134      7.64739823    -12.38227198
  O     14.71150943      6.82260024    -15.62866746
  H     15.75679432     11.51481259     -8.48123930
  H     11.24789596      8.37892111    -11.63612253
  O     17.23265018     10.75338778    -14.71262990
  H     13.62274840      7.38889528    -11.32946277
  H     12.40477069      8.62587537    -12.62933673
  O     16.30308251      9.12750354    -18.58732172
  H     15.12401483      7.51459285    -11.00920241
  H     16.96755033     12.14309087    -10.62531615
  O     15.22587695     10.02915647    -13.04656067
  H     14.64824948     12.85958904    -12.96958546
  H     17.13413358     12.98762981    -11.91237241
  O     13.03817547     10.52166901    -16.33179922
  H     13.20978215     12.58867575    -13.47982674
  H     16.27144001     11.21447990    -16.18952664
  O     18.89303149      8.17682876    -11.63089582
  H     13.98841222      7.58833007    -17.22451601
  H     15.93311229     10.72787738    -17.61745855
  O     12.17088619      8.61700437    -11.68637175
  H     13.35252528      8.96052363    -17.53759722
  H     13.31951515     11.61372180    -11.17138377
  O     17.61827148     12.47569962    -11.25366263
  H     16.27540410      9.62662274    -10.17474501
  H     12.88580890     10.18505927    -10.77341637
  O     15.65963843     11.34477552    -16.92836090
  H     17.25658079      8.68064639    -10.95830855
  H     13.94569499     13.73037080    -15.72927530
  O     13.28237684     10.99322014    -10.42905168
  H     17.24364296      9.09141169    -15.56306912
  H     15.15534555     13.14557462    -16.47272692
  O     14.86485347     13.91052670    -15.95815708
  H     17.00648856      8.45864528    -16.94945328
  H     13.59927635      7.94373302    -14.72101804
  O     13.21328616      8.68807906    -14.24126327
  H     14.87772932      6.19129609    -14.91687878
  H     13.96122248      9.13696258    -13.81286434
          69
 Energy    -250.08188805424007     
  O     -1.47607691     -1.04400895      7.68261830
  H     -1.97081673     -0.50552582      7.03857427
  H     -2.95407675     -7.10832630      0.66239978
  O      2.39885371     -0.89015221      1.89240136
  H     -1.35245996     -0.50272349      8.45735666
  H      3.11364650     -3.90807854      2.07609661
  O     -2.12954863     -0.00732835      3.18051586
  H      2.92266311     -1.65999151      2.14084759
  H      4.54697687     -3.59687076      2.56967857
  O      2.11062177     -4.32301038      4.91285633
  H      1.75445226     -0.77469549      2.60587228
  H      0.02887767     -2.46535950      2.77294665
  O     -3.32302731     -3.15788592      7.05343134
  H     -1.90123908      0.20627914      2.26339028
  H      0.54561010     -3.82693996      2.20933937
  O      0.14841699     -2.59816762      6.01545628
  H     -2.75423536     -0.74322485      3.13020718
  H     -1.72721282     -4.01985507      2.75747842
  O      0.53474633     -6.51947902      4.85652332
  H      1.60865734     -3.62079426      5.34628663
  H     -2.67732478     -5.19653947      2.42665146
  O     -5.03805573     -1.74649942      5.49543119
  H      2.67353388     -3.91039663      4.24843528
  H      1.49197894     -4.31864704      0.37968868
  O     -1.54666252      0.09182619      0.51260145
  H     -2.70963594     -2.50944949      7.42056541
  H      1.42619373     -5.54414183      1.34929096
  O      0.26344872     -6.69290245      2.00666811
  H     -2.77561185     -3.83833800      6.63952028
  H     -3.55090411     -2.98117301      2.98936620
  O     -2.33205288     -4.29090362     -0.64271197
  H     -0.28296709     -2.04285005      6.67692669
  H     -4.47168423     -1.98726852      3.74945692
  O     -2.43780055     -6.40365064      1.04359101
  H     -0.45753190     -3.33266375      5.84172761
  H      0.55063368     -2.28171125     -0.65135584
  O      3.63184538     -3.35446768      2.68785156
  H      1.16206159     -5.77312007      4.86517265
  H     -0.09872066     -3.10789423      0.46987134
  O     -0.23368344     -3.26751957      2.30347256
  H      0.94576570     -7.22747207      5.34611346
  H     -0.47735781     -0.56795767      3.63093634
  O     -2.55938738     -4.44759471      3.02221761
  H     -4.47713021     -2.31121854      6.05759306
  H      0.33126661     -1.47543351      4.61269411
  O      1.94102760     -4.75605955      1.11397183
  H     -5.91170385     -1.76091058      5.87690470
  H      1.57814043      0.10745599     -0.99528286
  O     -3.99327633     -2.12112380      2.92202928
  H     -2.14322659     -0.61106291      0.22985469
  H      1.60775549     -0.61730780      0.37107183
  O      0.20531137     -3.16011732     -0.45013293
  H     -0.68012772     -0.10211016      0.13703865
  H     -2.63835151      0.35860877      4.93787488
  O      0.37970206     -0.99225507      3.77700676
  H     -0.65333684     -6.66561608      1.70909407
  H     -3.77965348     -0.28604112      5.74275718
  O      1.09894028     -0.51354689     -0.45366111
  H      0.25254967     -6.71006286      2.97154542
  H     -2.01258819     -4.69010972      4.71024226
  O     -2.98281605      0.25023940      5.83462995
  H     -2.84709025     -3.50948555     -0.40671677
  H     -0.91670931     -5.48138170      5.44997697
  O     -1.57458476     -4.78577947      5.56873961
  H     -1.43132710     -3.97102837     -0.78798130
  H     -3.85589775     -1.94950019      1.12666250
  O     -3.65446959     -1.89715349      0.17828197
  H     -2.40781203     -5.68759020      0.38258292
  H     -4.42823311     -1.52588847     -0.24082051
          69
 Energy    -250.08168116991106     
  O     11.39833705     10.57405985    -12.33437453
  H     11.67808560     10.41905019    -13.24805214
  H     18.18576247      9.55522428    -16.12398201
  O     16.16650304      7.19344234    -14.39315445
  H     11.87546816     11.36133718    -12.04993090
  H     14.55560378     12.59843818    -14.83931464
  O     17.74174335     10.90793225    -11.38579460
  H     17.11782922      7.04396538    -14.35206970
  H     13.15095329     11.96954871    -14.81239182
  O     16.22219564     11.82741562    -15.27179944
  H     15.76536348      6.77784028    -13.61726723
  H     15.54929251      8.87590285    -14.01570784
  O     12.27659333      7.61007416    -15.98227917
  H     18.08184248     10.19771528    -10.82875145
  H     15.55371250     10.41415977    -14.30906443
  O     16.40289473      7.17653074     -8.98119752
  H     16.78502791     10.92005590    -11.25153499
  H     10.68957390      7.98502384    -10.69578678
  O     14.94585134      6.20534528    -12.14019564
  H     16.38501739     11.29408078    -16.06182461
  H     11.42616959      9.04435165    -11.55057822
  O     14.95142340     10.72242163    -11.27428840
  H     17.05994823     11.90864381    -14.79660610
  H     19.01852667      6.78197427    -12.47979351
  O     16.72365972      9.95655110    -17.29604526
  H     12.34385701      7.23675922    -15.08451172
  H     18.35100872      6.02763676    -11.29729453
  O     16.91119859      5.01290480    -10.52648282
  H     11.58552814      7.12645674    -16.42647294
  H     13.29926854      6.34525217    -13.07002348
  O     15.01111641      7.92268795    -16.79673178
  H     17.10842380      7.81219526     -9.15412207
  H     12.04523171      7.15109732    -12.70778744
  O     18.85387886      9.39998047    -15.44574392
  H     15.58650800      7.57499561     -9.31334455
  H     18.31019909     11.40718989    -12.92066105
  O     13.65008505     12.75147715    -14.53930744
  H     15.56647227      5.64758842    -11.65650195
  H     19.27255140     12.36599629    -13.66000076
  O     15.12708444      9.71509322    -13.79582567
  H     14.72060650      6.93851674    -11.54876333
  H     18.99904147      7.84311580    -14.72513310
  O     11.50093410      8.15111202    -11.16786710
  H     14.36242207     11.48291377    -11.34050647
  H     19.48828087      6.38650834    -14.90327995
  O     19.00286781      6.70400941    -11.51827613
  H     15.00087014     10.33514165    -12.16428329
  H     19.41704465      8.81096664     -9.22333840
  O     12.46936017      6.67776411    -13.43370603
  H     16.82882115     10.05628661    -18.23843376
  H     18.83898290      8.04801564    -10.43829523
  O     18.60600301     11.69952819    -13.80234321
  H     16.07309256      9.24392815    -17.16218426
  H     13.24273085      8.17644270    -10.50608287
  O     18.96615051      6.94961553    -14.33762687
  H     16.97523938      4.20554470    -10.02399845
  H     14.46067844      9.13336032    -10.58289849
  O     18.65615438      8.75807825     -9.79636153
  H     16.73198215      5.72919785     -9.88852529
  H     13.34087622     12.87057882    -12.81905376
  O     14.19385746      8.23200834    -10.35171060
  H     14.06265698      7.83927777    -16.64924520
  H     12.96297470     13.68778407    -11.56152988
  O     13.14797268     12.80390024    -11.86629041
  H     15.42672914      7.53539620    -16.01211162
  H     13.44301756      9.94414134    -14.44152409
  O     12.57788144     10.15440259    -14.82644267
  H     18.84519805     10.17485447    -14.86979555
  H     12.33435725      9.38118960    -15.34670860
          69
 Ord_Energy   -250.081650    
 O   0.170375317      -1.11024213     -0.952390790    
 H   0.417302936     -0.903707027      -1.86130333    
 H   0.699963927     -0.548818886     -0.375308752    
 O   -5.62246656       3.40478873       1.57662952    
 H   -5.08421803       3.78650451       2.27843189    
 H   -5.28335333       3.79079771      0.755754292    
 O    1.47759068      0.610045135      0.919211924    
 H   0.809377134      0.466265082       1.61521268    
 H    2.32859993      0.449661404       1.31713712    
 O   0.646149337     -0.460231096      -3.69686627    
 H    1.24067581     -0.848637998      -4.33184338    
 H  -0.258319438     -0.708645940      -3.96826649    
 O  -0.191619515       5.42810440     -0.370748401    
 H   0.613238931       5.93554497     -0.293865800    
 H    6.40046895E-02   4.49217939     -0.309328735    
 O   -3.82969451       4.13320112      -3.39960790    
 H   -4.20375347       4.61938906      -4.12942743    
 H   -2.90810895       4.43550348      -3.30139518    
 O   -3.80188727      0.327825487     -0.805209219    
 H   -3.34398890     -0.497618139     -0.592845559    
 H   -4.57755136      0.407088012     -0.236371145    
 O   -3.67366695       4.68598032       3.32891893    
 H   -3.25143886       5.15758848       2.58872700    
 H   -3.86074543       5.34019518       3.99658465    
 O   -3.05941749       1.39929283      -3.23926234    
 H   -3.45885348       2.26945233      -3.35187054    
 H   -3.41563845       1.01542377      -2.42444825    
 O   -2.30908370      -1.92637956     -0.225678816    
 H   -1.41076231      -1.65980530     -0.484142154    
 H   -2.30881453      -2.04832411      0.730410993    
 O   -2.62196112       5.87959671       1.11040151    
 H   -3.24516773       5.52977896      0.457934648    
 H   -1.75486052       5.79141092      0.698836088    
 O   0.321492046       2.73627353     -0.438058823    
 H   0.174843147       2.44410038      -1.35052621    
 H   0.800723732       2.04157352       2.99339406E-02
 O   -2.45033717       2.18044782       2.99923086    
 H   -2.80359769       3.01866484       3.31748509    
 H   -2.43161178       2.26252294       2.03267241    
 O  -0.440732479      0.220773444       2.75716877    
 H   -1.05013466      0.940009177       2.96996379    
 H  -0.975537956     -0.580460370       2.71326947    
 O   -1.92069745     -0.983653486      -4.29063368    
 H   -2.33364964      -1.71593440      -3.81121373    
 H   -2.42970467     -0.191955984      -4.07621002    
 O   -2.28396297      -1.97980547       2.58206892    
 H   -3.00114179      -1.34793484       2.77565885    
 H   -2.34137678      -2.67067814       3.23637438    
 O   -4.17687511       4.31956577     -0.605459869    
 H   -3.51071000       3.67197609     -0.322021365    
 H   -4.18886518       4.30251122      -1.56792450    
 O   -3.01472330      -2.98916626      -2.69321537    
 H   -2.80403709      -2.71776056      -1.78615832    
 H   -3.20389724      -3.92299247      -2.65046906    
 O  -0.353572994       2.05647135      -3.00917411    
 H   0.132160872       1.28351605      -3.32110262    
 H   -1.29199910       1.82096064      -3.06117320    
 O   -5.91756058      0.777325451       1.00173819    
 H   -6.84728813      0.583092391      0.918209791    
 H   -5.84866762       1.72147989       1.23293817    
 O   -4.12343979      -7.27131292E-02   3.03187299    
 H   -4.81312561      0.136706710       2.39163828    
 H   -3.60360408      0.736699045       3.13528204    
 O   -1.22269130       4.75603819      -2.99892545    
 H  -0.775536954       3.90719080      -3.11823416    
 H  -0.919965804       5.10533619      -2.15293074    
 O   -2.36472869       2.41467738      0.257789552    
 H   -1.43533456       2.45876479       5.05062006E-03
 H   -2.75963354       1.61961412     -0.126084194    
          69
 Energy    -250.08124203038332     
  O     14.98669067      5.17382671     -9.13107973
  H     14.12594024      5.26698948     -9.56578025
  H     13.44087505      8.32870119    -13.59852705
  O     14.25506666      8.06861497    -16.51659262
  H     15.61707183      4.90078402     -9.80868010
  H     16.61648289     10.46464656    -11.94401278
  O     17.82476338      8.95894327    -14.61911092
  H     13.71848085      7.95201539    -17.29661028
  H     17.37669496      9.50451813    -12.94045597
  O     15.47826628     11.82167313    -11.82266468
  H     13.64704947      8.11167108    -15.75931168
  H     14.24876128      8.28011601    -11.47397424
  O     19.25526714      4.18839452    -12.54386281
  H     17.34460026      8.14504913    -14.82969904
  H     15.49147803      8.74797416    -12.28366679
  O     12.34378991      5.52456554    -13.28879386
  H     18.75263745      8.71108259    -14.52021521
  H     12.38096124      5.78693570    -11.31694611
  O     17.66724560      7.54364420    -10.33348063
  H     14.69998766     11.63783359    -11.28375413
  H     12.71287641      6.79222124    -10.19133010
  O     12.95421214     11.13124363    -10.57685178
  H     15.13862676     12.05299689    -12.69672027
  H     21.25570973      8.17348202    -14.26847382
  O     18.96980327      5.48753857    -14.91603894
  H     19.75328947      3.38400177    -12.66012381
  H     20.28746866      7.56973520    -13.22282833
  O     14.33014508     12.23410127    -14.40009314
  H     19.13400407      4.57589429    -13.42919593
  H     15.69740736      5.25789720    -12.47193013
  O     12.22353795     10.78641279    -13.17682428
  H     11.98130936      4.67797158    -13.53835998
  H     14.95082836      6.56660627    -12.80828980
  O     12.72196862      8.16960265    -14.23331974
  H     13.31088646      5.41951818    -13.26869188
  H     16.55483270     10.03818597    -15.44716622
  O     17.05514896      9.60548820    -12.03476591
  H     17.09641640      7.64049695     -9.56270620
  H     15.23764643      9.66284332    -16.15427849
  O     14.67482443      8.23818371    -12.34063774
  H     17.49317974      8.30842797    -10.90314566
  H     15.71687565      7.03742972    -15.87038075
  O     12.58502558      5.85217668    -10.37900640
  H     12.62526899     10.98770267    -11.48287446
  H     15.96182016      6.20733196    -14.58818533
  O     20.35586585      7.88577360    -14.14203115
  H     12.38392483     11.78455288    -10.17974498
  H     19.33274873      7.10788753    -11.09452741
  O     15.08399542      5.65175781    -13.10588115
  H     18.09787361      5.79438960    -15.19557749
  H     19.88622664      5.87558895    -11.84056901
  O     15.73633943     10.40921291    -15.80203398
  H     19.50858150      6.28070881    -14.80340437
  H     17.18820954      5.86470096    -10.92012163
  O     16.40931120      6.63796577    -15.33102596
  H     14.31870458     13.05150444    -14.89088226
  H     17.70848028      4.56995137    -11.59665149
  O     20.04991027      6.81132657    -11.66992424
  H     14.84879607     11.59976508    -14.92629571
  H     15.82634350      7.66301084     -7.34447391
  O     16.93022808      4.97066737    -11.19111916
  H     12.19276160      9.92169088    -13.60173929
  H     15.42901181      6.71765245     -8.50587075
  O     15.68394477      7.63430188     -8.28670461
  H     12.87832416     11.30359261    -13.66575181
  H     13.30782824      9.42847430     -9.95467080
  O     13.49607127      8.48509028     -9.86625073
  H     12.36070135      7.30757739    -13.99301091
  H     14.22918417      8.36418671     -9.24846352
          69
 Energy    -250.08069914143024     
  O     11.75023186      9.75883564    -10.57296696
  H     11.48114742     10.51324596    -11.11028713
  H     10.03645851     11.92107239    -15.51830472
  O     14.98213016     10.51477168    -12.76930752
  H     12.54159176     10.02428041    -10.08190661
  H     15.57818491     13.89733647    -14.33212913
  O     17.43764272     13.47123037    -14.09500945
  H     14.40182491     11.23830836    -12.50624520
  H     14.56200729     13.21516557    -15.26715870
  O     17.09510332      7.74734591    -13.42550037
  H     15.87280954     10.79312344    -12.52141356
  H     17.24004142     10.63710298    -15.96755113
  O     11.25226656     11.64702462    -12.63580448
  H     17.42986525     12.78128894    -14.78429750
  H     16.34205406     11.80300587    -16.42183076
  O     12.01724435     14.53001344    -15.47551565
  H     18.15263056     14.06449880    -14.31087720
  H     14.70633826     13.02920243    -10.76119830
  O     14.48449501     12.03751771    -16.63728559
  H     17.60088124      8.20897188    -12.74056866
  H     15.30525818     13.72115313     -9.51209227
  O     15.94562789      8.28821895     -9.61264632
  H     16.23318565      7.57302074    -13.02985240
  H     17.40503186     12.42557708    -12.55262452
  O     13.62986751     12.90673722    -12.13663001
  H     10.66745646     12.26429159    -13.09247906
  H     16.75118299     12.25041008    -11.14867444
  O     14.35690610      9.63422426    -15.28589659
  H     11.43317498     10.92467321    -13.25424250
  H     11.69266253      8.78270846    -13.74888853
  O     14.11720176     10.46407258     -9.29471604
  H     12.05097049     14.05893716    -16.31816228
  H     12.61869684      9.46713373    -14.78748923
  O     10.37998239     11.26649868    -16.13902046
  H     12.91027207     14.49344467    -15.11269218
  H     17.06117070      8.36924329    -15.01882659
  O     14.63693240     13.84689069    -14.53585794
  H     13.68671434     12.25127809    -17.13533084
  H     17.35030066      8.13540644    -16.52000666
  O     17.20085197     11.59907837    -16.02720883
  H     14.34402092     11.17309682    -16.22319733
  H     11.64990473     12.82110477    -18.60194117
  O     15.38849088     12.95229977    -10.07029299
  H     15.46330946      8.02005021    -10.41344205
  H     11.41048271     12.15534715    -17.22431454
  O     17.28066795     11.80474237    -11.82355505
  H     16.00790670      7.51398975     -9.05823360
  H     11.76687806      8.37665714    -11.57586740
  O     11.73547554      9.50015749    -14.39325886
  H     13.92683042     13.28793599    -12.97494270
  H     11.20615160      6.98903256    -11.98081990
  O     16.94237125      8.74456707    -15.91098580
  H     12.73997281     12.55093353    -12.26406789
  H     17.50378052      8.91977764    -10.59999516
  O     12.01065712     12.73840595    -17.72360658
  H     15.14445989      9.19396751    -15.62787201
  H     17.99455097     10.12395327    -11.42676770
  O     11.82718341      7.66359455    -12.24066072
  H     14.60584899      9.97365372    -14.41103393
  H      9.13803426     14.03016916    -14.20080588
  O     18.12955674      9.17720815    -11.28773859
  H     14.59450712     11.28521237     -9.45303474
  H     10.60852115     13.88049778    -14.66303478
  O      9.84902003     13.40110396    -14.28556110
  H     14.78143975      9.76396011     -9.29893650
  H     13.70132223      7.64894669    -12.10566062
  O     14.63207788      7.87070715    -11.99240904
  H     10.75516919     10.55546233    -15.60305672
  H     14.71703999      8.81121612    -12.21543710
          69
 Energy    -250.07982271843423     
  O     10.35795066     12.63587881    -12.13377445
  H     10.50796565     12.32189237    -13.03339381
  H      8.79684395     10.17837717    -10.17723556
  O     14.84843279      8.42515509    -17.29243892
  H     10.06931893     11.87525396    -11.61513680
  H     13.52471428     12.28226863    -13.02456201
  O     11.89396093      9.03670746    -11.50198252
  H     15.41141496      8.02320468    -17.94804678
  H     12.63501677     12.56643582    -14.24502854
  O     15.00482195      9.24257403    -14.58890200
  H     14.81540860      9.37862655    -17.49533151
  H     16.71299479     10.59949653    -12.39119804
  O     13.07461725     12.53547255     -9.26723941
  H     11.03947725      9.38664948    -11.21858525
  H     15.77850032      9.46921085    -12.88682044
  O     14.60337726     11.10978646    -17.61786530
  H     12.48174955      9.80444895    -11.60660272
  H     13.90883156     14.33301940    -12.83275553
  O     12.22490354      9.06540613    -14.24437030
  H     15.21851262     10.16746562    -14.78498556
  H     13.30554017     14.93447964    -11.56589717
  O     13.25594388      8.36502158     -9.17668918
  H     15.04519480      8.77930367    -15.43459768
  H     17.18700766     12.70407275    -12.41861055
  O     13.62621229     11.15191334    -11.64302319
  H     12.67113391     13.32680922     -9.64753536
  H     18.51118066     12.29880242    -13.11283084
  O     11.44033098     10.48095045     -8.40131480
  H     13.97485945     12.73211502     -8.97994191
  H     11.18609055     11.66898604    -15.68255089
  O     16.41077868     13.62790490    -11.22799633
  H     15.03073632     11.51685852    -16.85148162
  H     11.46143865     10.72922417    -14.49754247
  O      9.67880599     10.40038690    -10.46320757
  H     13.66949991     11.34709588    -17.57677019
  H     16.30563012     12.65610642     -7.86471439
  O     13.46336362     12.82612403    -13.82539942
  H     12.02426506      8.85565024    -13.32425591
  H     15.80422670     11.56537182     -8.84265308
  O     16.11541309      9.90129719    -12.09073647
  H     13.18788909      9.13622577    -14.31098644
  H     16.40763874     12.04570085    -14.54926500
  O     14.11798732     14.90845761    -12.08376053
  H     12.79672944      8.47712028    -10.02516891
  H     14.89199169     12.32914679    -14.72532130
  O     17.58033894     12.09824163    -13.07513928
  H     13.23784546      7.43143245     -8.97878701
  H     11.19755891     11.50326033    -18.26898831
  O     11.13176526     11.61233432    -14.72063055
  H     13.50018683     11.61648042    -10.80544684
  H     11.74432210     10.35673608    -17.38614223
  O     15.79782836     12.52280494     -8.66050172
  H     14.52195961     10.79235922    -11.67048274
  H     14.89687989      9.36485633     -9.20354419
  O     15.65940511     11.90562872    -15.14116228
  H     11.99092120     11.25460700     -8.59453357
  H     15.97809169      9.75238711    -10.23563672
  O     11.70722450     11.32573352    -17.48241785
  H     12.03567888      9.72470783     -8.45329652
  H     11.20140260     13.87321585    -11.22757544
  O     15.69850996      9.88851972     -9.31998083
  H     16.24900080     13.31738411    -10.33106362
  H     11.04273658     15.17763308    -10.41323211
  O     11.67450835     14.50706247    -10.65852034
  H     15.64167449     14.15592848    -11.48916155
  H     12.91557306      8.41048282    -17.19301097
  O     12.00163349      8.65514691    -17.00241225
  H     10.22890321     10.46555660     -9.66134608
  H     11.93214378      8.65204665    -16.03700871
          69
 Ord_Energy   -250.079514    
 O    3.99100375       1.97441745       6.30559015    
 H    4.51264191       1.30637145       5.83482456    
 H    4.62439299       2.60882187       6.65943336    
 O    4.96700096       2.28206730       9.94889736    
 H    4.12846136       1.91498780       9.64172173    
 H    5.35340166       2.72860956       9.18710804    
 O   0.371259689       9.13486034E-02   7.59579420    
 H  -0.537564099       7.74718523E-02   7.88310719    
 H   0.565283358     -0.792096436       7.23395157    
 O    5.54507589       2.80803591E-02   5.16199923    
 H    5.06207514     -0.724980414       4.80139971    
 H    5.88615751     -0.261448562       6.02540827    
 O    6.73702288      -3.42949533       4.98159504    
 H    5.91114998      -3.06273842       4.64178419    
 H    6.48278284      -4.03024960       5.69159746    
 O    3.55778146      -3.26346183       7.06391525    
 H    4.22979879      -3.94892287       7.15160084    
 H    3.70582294      -2.63604498       7.78789663    
 O    1.68009031      -1.21817625       3.80032802    
 H    1.65400755     -0.339547247       4.22001123    
 H    1.16949034      -1.15426517       2.99783540    
 O    6.33364916     -0.711314797       7.64520788    
 H    5.54041815     -0.821109593       8.18656540    
 H    6.97272110     -0.170525819       8.12696171    
 O    8.50526428      0.612669289       8.84857655    
 H    8.65041256       1.31330776       8.20406246    
 H    9.01860332     -0.163027287       8.57341003    
 O    9.57101345      -1.78412533       8.00755215    
 H    9.45228291      -1.87644875       7.05274010    
 H    8.95358086      -2.40690470       8.40886784    
 O    6.75660515      0.454120994       11.0019073    
 H    7.49440956      0.553982079       10.3859081    
 H    6.10781908       1.12596822       10.7462997    
 O    2.81150436      0.983787775       8.64382267    
 H    1.90943730      0.729627669       8.41248703    
 H    3.21930432       1.30800259       7.82682514    
 O    7.14193630      -3.08475471       8.86052227    
 H    6.77861929      -2.86371803       9.72723484    
 H    6.93594503      -2.32493615       8.29345894    
 O    1.54678726       1.12300253       5.17780209    
 H    2.35778451       1.55439544       5.47692156    
 H    1.05273962      0.905490100       5.97785330    
 O    5.82847786      -2.03775907       11.1682377    
 H    6.19603729      -1.13301659       11.1760235    
 H    5.73818159      -2.30569148       12.0779982    
 O    4.17629051      -2.29068828       4.50960445    
 H    3.95184278      -2.61017108       5.39641666    
 H    3.35057569      -1.97891438       4.11929083    
 O    9.05698872      -2.02263045       5.21429586    
 H    9.67599392      -2.43129230       4.61392879    
 H    8.22076607      -2.51174331       5.12014914    
 O    4.05050755      -1.43932152       9.06371689    
 H    3.58525348     -0.591566801       9.08163166    
 H    4.49049902      -1.59771407       9.90753460    
 O    6.02435493       3.53048444       7.53623867    
 H    6.07903767       4.48371124       7.56444263    
 H    6.90270758       3.21195316       7.27818346    
 O    1.00427079      -2.26246285       6.39565992    
 H    1.79840064      -2.73795915       6.67248869    
 H    1.14152431      -2.03579497       5.46754789    
 O    8.55330658       2.58158231       6.78780746    
 H    8.45814037       1.91614890       6.08128452    
 H    9.33413696       3.08904171       6.58235168    
 O    5.86289358      -4.91612339       7.28154373    
 H    6.05025578      -5.82076740       7.51808500    
 H    6.35716772      -4.35299921       7.90171671    
 O    8.22255325      0.685143232       4.91697931    
 H    7.27153444      0.542818666       4.80862141    
 H    8.60254860     -0.197931796       4.99900103    
          69
 Energy    -250.07938035687999     
  O     12.61696792     11.59081187    -13.99041352
  H     12.99613080     11.47308080    -13.10994154
  H     14.86671303      6.28353404    -10.91518191
  O     15.37673158      6.49254802    -17.22495348
  H     13.32482377     11.38247458    -14.61735234
  H     13.66912370      9.22289488    -12.68548518
  O     13.50374245      6.03742208    -12.09337332
  H     14.82294521      7.26852512    -17.37512766
  H     14.69529001      8.61773084    -13.66896975
  O     17.27478107      4.63696279    -11.75406276
  H     14.78586849      5.78197940    -16.94606351
  H     15.39763149     10.30367091    -15.20541488
  O     13.89972931      4.33158436    -16.00527009
  H     12.56514505      5.82282029    -12.10445462
  H     14.43291592     10.17844522    -16.39164125
  O     10.35481955     10.14216519    -14.09944501
  H     13.59193455      6.91800294    -12.49211424
  H     10.10899091      5.03395111    -12.30602833
  O     13.65519869      8.75196732    -17.48060405
  H     17.98336049      5.18912824    -12.10316669
  H     10.94720631      5.59572590    -13.48061331
  O     14.64449140      8.55853606     -8.82730964
  H     16.79697106      5.19003750    -11.11991807
  H     10.59830048      7.53907969    -12.06391686
  O     18.95579131      6.58976924    -13.11620865
  H     14.41845566      4.34766514    -15.18310561
  H     10.47462530      9.00495280    -12.56229113
  O     12.00452234      8.28314435    -15.34045395
  H     13.97807165      3.44799706    -16.35795219
  H     14.60231686      5.08621018    -13.14727839
  O     16.98812923      6.42305579    -15.04096438
  H      9.60825236     10.69997987    -14.29789486
  H     16.00305958      4.44026043    -13.03337400
  O     15.64538907      6.52870799    -10.39624427
  H     11.14015362     10.72126646    -14.06970041
  H     11.60877173      6.49522830    -15.31330451
  O     13.82927271      8.46932572    -13.26745357
  H     13.00091766      8.58596531    -16.78104839
  H     12.24505256      5.09592211    -15.47190322
  O     14.69991606     10.77227055    -15.68088616
  H     13.16556349      8.98696502    -18.26541683
  H     11.50160811      9.01795039    -10.40125610
  O     10.74589256      5.70573046    -12.53355905
  H     15.16795182      9.29570262     -9.16319198
  H     11.40570964      9.73858316     -9.03834988
  O     10.61676476      8.46042614    -11.77900287
  H     13.72888125      8.76000139     -9.05782096
  H     16.60484394      8.16582889    -14.61524095
  O     15.29532043      4.64626836    -13.66080254
  H     18.36398337      6.52421355    -13.88508720
  H     16.72518936      8.95049628    -13.29666006
  O     11.46898027      5.55521687    -15.13100165
  H     19.84616400      6.50988700    -13.44877833
  H     13.08153717     10.36714022    -10.85710160
  O     12.02842509      9.41073730     -9.68222509
  H     11.29972766      8.88494674    -15.07160149
  H     14.55846937     10.73244981    -11.16433155
  O     16.37400965      9.00557261    -14.19464081
  H     12.66968661      8.33501808    -14.63676948
  H     16.85133564     11.15018793    -10.03214740
  O     13.67353842     10.69423109    -11.54745380
  H     16.41806723      5.83519327    -14.52614622
  H     16.71023838      9.80063076    -10.77064472
  O     16.21278777     10.50112819    -10.31702670
  H     16.58130326      6.47724044    -15.91867908
  H     18.03689527      7.84546182    -12.04151509
  O     17.33313256      8.35838149    -11.62629680
  H     15.32701867      7.13171313     -9.70925691
  H     16.72975109      7.71505997    -11.22251917
          69
 Energy    -250.07917338275212     
  O     13.11179296      9.65046499    -16.47995229
  H     13.11385199      9.59875223    -15.50502550
  H     18.39292952      7.12197557    -12.87078553
  O     16.78249947      6.25126431    -13.01414399
  H     12.30709310     10.09460501    -16.73108703
  H     16.71832195      9.53118321    -17.89818140
  O     18.07137957     10.31244572    -13.07349523
  H     16.53651064      6.90314398    -13.69068158
  H     18.16491449      9.11320708    -18.21957131
  O     19.78010874      9.45104427    -17.24474616
  H     16.65660032      5.38561304    -13.42009753
  H     15.65258228      7.56697907    -15.64897876
  O     13.69776843      5.37821695    -14.56660978
  H     17.13439934     10.18591780    -12.86846936
  H     17.20467306      7.72671848    -15.47036351
  O     16.45848419     10.94349773     -9.77895213
  H     18.47182352     10.74838132    -12.31051988
  H     13.98365871      9.76232499    -13.30153782
  O     15.14453228      7.30669225    -11.12127312
  H     19.36137826     10.12954168    -16.68270839
  H     12.98910214      8.58762965    -13.37926066
  O     17.42749827      5.12280858    -16.72296228
  H     20.59514576      9.82328108    -17.56869320
  H     18.53684483      8.31626912     -9.82410976
  O     16.77657152      8.14930449     -9.08185664
  H     14.48086154      4.81668856    -14.54470207
  H     19.42005048      8.14147639    -11.08788030
  O     18.99007524      7.22314303    -15.74670157
  H     13.77506629      5.90886108    -15.37212332
  H     11.89569455      6.56679303    -12.29041563
  O     16.21222920      4.00201651    -14.58224554
  H     16.54292327     10.06135652     -9.39534809
  H     13.08351396      6.30664282    -13.24761923
  O     19.14639200      7.72383273    -12.95794006
  H     17.36043586     11.21555803     -9.99047905
  H     18.37172297     10.94430821    -14.75836553
  O     17.24840600      8.97437810    -18.48433245
  H     14.25562278      7.14483649    -11.46039850
  H     17.50659081     11.15073920    -16.01262546
  O     16.34239940      7.97374247    -15.10676154
  H     15.75259725      6.84410167    -11.71871156
  H     19.34750424     10.30020723    -10.43144118
  O     13.23497086      9.41677222    -13.80550451
  H     16.97558355      5.52815656    -17.47160243
  H     19.94517545     11.72887534    -10.38663962
  O     19.38302682      8.56193271    -10.21945043
  H     18.09620057      5.75940333    -16.43334703
  H     16.50930835      7.44098439    -18.73140620
  O     12.76202333      6.88394587    -12.53105396
  H     16.56958293      7.71616766     -8.25718879
  H     15.98616496      6.35396330    -19.70195995
  O     18.41879556     11.17922804    -15.69569612
  H     16.14820702      7.80821144     -9.73972881
  H     15.66976687     10.45274604    -11.35276888
  O     19.17430045     11.23424294    -10.64959569
  H     19.36965979      7.94334537    -16.26648248
  H     15.34792661      9.03028118    -11.84737642
  O     16.04506789      6.58518105    -18.77909631
  H     19.24864014      7.35611726    -14.82539272
  H     16.05857770      9.62961702    -15.85847480
  O     15.45122340      9.94280871    -12.14692683
  H     16.41068575      3.07018929    -14.55449955
  H     14.89039662     10.33426205    -16.56454620
  O     15.84767063     10.36010941    -16.46086000
  H     16.64078779      4.35608967    -15.38278559
  H     13.78651583      7.92446051    -16.78624259
  O     14.21543380      7.06155664    -16.71577753
  H     18.78271195      8.61842591    -13.04938514
  H     14.71997914      6.89593851    -17.52252314
          69
 Energy    -250.07818692874719     
  O     13.01347839      5.36626592    -10.40027821
  H     13.28839289      5.97695633     -9.70651774
  H     17.61484243      8.81077639    -12.01839889
  O     15.73765266      8.93091496    -16.26745569
  H     13.81542372      4.89198361    -10.65100353
  H     13.88904612      8.56870085    -11.63957715
  O     18.62873070      8.34833474    -13.42790097
  H     15.57425763      9.17097152    -17.17630467
  H     15.37950958      8.61040948    -12.05240894
  O     16.49893700     11.71433645    -12.14774599
  H     14.87411991      8.91818429    -15.82119211
  H     11.86391961      6.05136635    -11.62031340
  O     18.02949513      3.26741132    -11.84634617
  H     18.08024517      7.75287388    -13.95944101
  H     11.61644900      6.29250087    -13.13563983
  O     12.52343444      6.05984127    -14.82746050
  H     19.36960216      7.82643063    -13.09677854
  H     21.41004060      6.53012967    -12.20173048
  O     16.56805977      6.79250138     -9.78344638
  H     16.73073597     11.39340456    -13.03701141
  H     20.01137587      6.21612416    -11.61589069
  O     13.76212514     11.56331704    -11.28374959
  H     16.95885120     12.54146239    -12.02769180
  H     14.68835370      6.70124340    -13.00840991
  O     18.82706057      4.77227629    -13.96932755
  H     18.28506760      3.73966636    -12.65888114
  H     15.11931463      5.24634920    -12.72424878
  O     12.00564164     10.77038561    -13.31751441
  H     18.34637126      2.37278091    -11.93505507
  H     16.74513327     10.13762821    -15.14890637
  O     13.40877054      8.75979324    -14.83269393
  H     12.32778470      5.33933675    -15.42076770
  H     17.92005921      9.91584283    -14.18498578
  O     16.98447338      9.06833848    -11.32962428
  H     13.36750611      5.84640412    -14.39254679
  H     16.62116120      7.40041956    -15.54833453
  O     14.50344571      8.32740372    -12.34263842
  H     16.75106251      7.61359292    -10.26202091
  H     16.24739072      6.35674433    -14.46735234
  O     11.29233307      6.50799166    -12.25586127
  H     15.77663472      6.96039788     -9.25637173
  H     18.72685559      4.67044787    -10.71464113
  O     20.47984605      6.53355320    -12.40922457
  H     13.18764307     11.43009825    -12.05316694
  H     18.25054638      5.96149529    -10.01382856
  O     14.86120705      5.84660699    -13.43490711
  H     14.65849920     11.67065369    -11.61938043
  H      9.62572034      9.01091507    -11.35575455
  O     17.29257823     10.58406804    -14.49345615
  H     18.23532305      5.35150002    -14.46495253
  H     10.75772938      8.07489263    -11.84716228
  O     16.98857989      6.71408636    -14.97848780
  H     19.49138784      5.34693052    -13.56802208
  H     15.97078270      5.30071799    -10.69175974
  O     19.03407599      5.51269275    -10.35669205
  H     12.37265038     10.19706087    -13.99965946
  H     16.38740375      3.96117014    -11.35517400
  O     10.55190304      8.98972894    -11.57920373
  H     11.41872398     10.20982224    -12.79354170
  H     13.67642955      8.06951174     -9.08413174
  O     15.62854688      4.52358557    -11.15848235
  H     13.79264976      8.72451239    -13.94133623
  H     13.81775066      7.46818141     -7.66661270
  O     14.07592172      7.34167920     -8.57606673
  H     12.96050953      7.91488631    -14.96236079
  H     12.05752352      9.15755185    -10.51667657
  O     12.95170620      9.24041867    -10.16170421
  H     16.85570946     10.02148176    -11.41261944
  H     13.27665106     10.11943251    -10.41629400
          69
 Energy    -250.07784544878845     
  O     15.79331266     10.78235697     -9.94135746
  H     16.54295302     10.18917435     -9.82464555
  H     13.83462584      9.65654295    -15.98365928
  O     13.71875933      8.16779805    -14.94923644
  H     15.91727906     11.19261266    -10.81055086
  H     19.07233454      8.29029068    -12.90020328
  O     16.66199850      5.25547770    -12.90771864
  H     14.34915825      8.55120372    -14.31555655
  H     18.86137865      9.82270412    -13.03773133
  O     18.95323335      6.55300490    -13.77104638
  H     14.09628426      7.31336396    -15.19084233
  H     15.85391936      8.40005757    -12.57042734
  O     13.87443021     12.01606973    -13.93316002
  H     16.17061450      4.46301956    -12.65965811
  H     15.84016841      9.88289202    -13.04537436
  O     12.97207713      4.73433457    -10.95014869
  H     16.43541791      5.93412619    -12.25132751
  H     14.14645062     10.38378497     -9.67161914
  O     11.88314036      7.76123680    -12.91508680
  H     19.69217776      5.95899611    -13.87819745
  H     12.86239336     10.59161497     -8.83286798
  O     16.01793814      7.23747596    -11.17144082
  H     18.20744794      6.01538685    -13.45623848
  H     13.87626442      3.63842781    -13.81497280
  O     16.92168896     10.58312088    -16.33347866
  H     13.85761404     11.60637489    -14.80396321
  H     13.96510140      4.63237258    -14.98688564
  O     11.19629948      5.04282319    -13.18182618
  H     13.22678020     11.54348222    -13.38729200
  H     11.91963361      9.64147774    -12.49479945
  O     17.22137314      7.95598976    -15.49581635
  H     12.25621877      4.79716060    -11.59514116
  H     12.51477163     10.47497389    -11.34995766
  O     14.03618145     10.51044563    -16.39902622
  H     13.11589491      5.63412615    -10.63070621
  H     15.95350697      6.54151140    -15.68923122
  O     19.05683157      9.11882983    -12.40749569
  H     12.44982571      7.90565073    -13.68654577
  H     15.72245951      5.63978410    -14.48308001
  O     15.74223567      8.96980252    -13.34076909
  H     11.50653870      6.87886095    -13.01674254
  H     14.21993885      3.76076723    -11.67612106
  O     13.21468078     10.11339876     -9.57825312
  H     16.61705214      7.74479457    -10.61012814
  H     14.90805987      2.37947655    -11.79152696
  O     13.35422727      4.05386425    -14.51296030
  H     15.10996307      7.33899189    -10.85207760
  H     17.89899382     11.11221843    -14.97962706
  O     12.21692087     10.52973759    -12.26561786
  H     15.96452960     10.66934534    -16.41209119
  H     19.06571557     11.97253381    -14.44586398
  O     15.33186719      5.89445149    -15.33158898
  H     17.09433475      9.63288550    -16.26766017
  H     12.86119587      7.60472156    -11.38103345
  O     14.85766433      3.24016325    -12.19831007
  H     11.91703513      4.69249683    -13.73531444
  H     13.26090646      8.34871491    -10.08508453
  O     18.41651388     11.32495531    -14.18310686
  H     10.40291519      4.57912669    -13.43577981
  H     18.36509974      9.01782570    -10.81238105
  O     13.35365676      7.50858214    -10.55235241
  H     16.73044208      8.35583458    -14.75900879
  H     18.60829575      8.78241550     -9.30230610
  O     17.92126512      8.88095640     -9.95569291
  H     17.95894315      7.48747504    -15.08842242
  H     16.93648845     11.70403100    -13.07988955
  O     16.14760852     11.62481292    -12.53233040
  H     13.42900931     10.60898529    -17.12875685
  H     15.37394333     11.90478827    -13.04911001
          69
 Energy    -250.07740859544410     
  O     17.24945303      9.78770458    -14.30334051
  H     16.84003111      9.49929817    -13.47094400
  H     11.31046838     10.83666143    -10.80313148
  O     14.02522863      6.89930185     -9.43481075
  H     16.92732642     10.68482903    -14.44343038
  H     18.81426997      4.39749975    -13.23320037
  O     12.15738460      7.48546431    -11.51348172
  H     14.79041542      6.68439131     -9.99419852
  H     20.05345333      3.84222655    -12.49190256
  O     16.13161212      7.64033028    -15.63458235
  H     13.98885297      6.23416104     -8.75195326
  H     15.80049804      6.08854695    -12.05609710
  O     19.62451876      8.74961687    -13.38014642
  H     12.72221399      7.23742543    -10.77166240
  H     17.02688926      6.57352373    -11.21272645
  O     19.62520231     10.84455589    -11.50214471
  H     12.01574800      8.43645323    -11.43735697
  H     19.55686301      6.29927790    -15.48740957
  O     18.79901858      7.00046662    -11.38957411
  H     15.20490792      7.91443750    -15.70850090
  H     20.15803006      5.82693373    -14.15054943
  O     12.51659205      6.23223169    -13.86697430
  H     16.60438909      8.39488241    -15.25773885
  H     17.32902702      6.51410567    -16.30909337
  O     15.81972346     12.20118587    -14.08714610
  H     18.86688314      9.16036828    -13.81997174
  H     18.00125656      5.79178895    -17.49793304
  O     13.53734840      8.45359662    -15.37190726
  H     19.95322973      8.05006861    -13.96235596
  H     15.84205432      8.15441369    -11.79413054
  O     13.81206281     10.43037314    -13.31991820
  H     19.48314251     10.31863365    -10.70760257
  H     16.05177687      9.59788509    -11.26621239
  O     12.03419486     10.32271224    -11.15034518
  H     19.79565289     10.19882477    -12.20058215
  H     18.13362270     11.92160157    -11.63723462
  O     19.58016303      4.64696756    -12.68531901
  H     19.04758767      7.64863345    -12.06643822
  H     16.84800293     12.36933464    -12.39160765
  O     16.07065897      6.43376408    -11.19198683
  H     19.12830302      6.14821265    -11.70294834
  H     16.70330129     11.23985161    -10.25657993
  O     20.23946127      6.50105873    -14.83552543
  H     12.34642761      6.67575657    -13.01621773
  H     17.24714640      9.99285373     -9.48440126
  O     18.01549967      5.86806002    -16.54727932
  H     11.74676354      5.70537470    -14.06305755
  H     14.30692960      5.79038093    -13.77868560
  O     15.85224395      9.08018377    -12.05793184
  H     15.51731554     12.94666389    -14.59963712
  H     15.60896945      6.41033598    -14.34319575
  O     17.25904956     12.32528248    -11.52319798
  H     15.03101586     11.68368017    -13.85480989
  H     19.39626425      8.71548685     -8.67381202
  O     16.44393649     10.47086015     -9.72229885
  H     13.07791997      7.72974468    -14.92895957
  H     18.84568702      8.20748887    -10.02281274
  O     15.27002530      5.74749877    -13.72520217
  H     13.54018835      9.18967690    -14.74641786
  H     14.71661622     10.09707680     -9.27010792
  O     18.83220672      8.95595712     -9.40525664
  H     14.48919029      9.88683613    -12.88669408
  H     13.89990404      8.79380660     -9.15584153
  O     13.81463356      9.75358309     -9.20100333
  H     13.10615736     10.52470063    -12.66923694
  H     17.70437627      4.57676676    -15.17929298
  O     17.49305695      4.14548837    -14.34114159
  H     12.66717958     10.19953864    -10.41873221
  H     16.64248922      4.51811400    -14.07486182
          69
 Energy    -250.07566894672090     
  O     15.89594038      5.18535293     -8.78017979
  H     15.08275390      5.06695739     -9.29150265
  H     14.37965613     10.06411120    -13.14397590
  O     17.58596400      3.73911117    -10.45837794
  H     16.04217966      6.13219120     -8.67639604
  H     15.48439164      6.36040962    -13.12881165
  O     18.26456619      5.63589069    -14.77403873
  H     17.09567395      4.30716731     -9.84755556
  H     14.51550459      6.92282015    -12.04886382
  O     12.05809075      7.71789644    -13.88399944
  H     18.17047167      4.30050942    -10.98832064
  H     14.37942861      9.42898851    -10.72587082
  O     13.11377325      2.17166603     -8.81788348
  H     18.86141127      5.40976721    -15.48226361
  H     14.81972698      8.67022495     -9.45759900
  O     15.46671531      2.66585572     -7.55041476
  H     18.07066849      6.58814796    -14.86250880
  H     15.61351723      0.87528215    -10.31540795
  O     17.60581863      8.22706680    -14.96981471
  H     12.20376041      7.40033419    -12.98195120
  H     14.11745369      1.20533032    -10.18378335
  O     17.75905685     10.15497536    -12.80409862
  H     12.47787070      7.08070941    -14.47490662
  H     13.11036672      7.60330448    -10.72231881
  O     13.67673021      4.46259466    -10.34193161
  H     13.90548177      2.31217519     -8.26758285
  H     12.97141993      6.04628857    -10.89906780
  O     15.01871098      8.54092539    -15.89413318
  H     12.42699743      1.85135972     -8.23982573
  H     18.81188380      5.48859859    -12.96142010
  O     15.60205703      4.93243542    -14.30673103
  H     15.67576135      3.58014471     -7.78492213
  H     18.69167864      6.34349581    -11.68506679
  O     15.06919836      9.80121728    -12.52101903
  H     16.11767128      2.11938526     -8.00917704
  H     15.15187166      2.34914907    -11.87867226
  O     15.39588502      7.02284277    -12.43504424
  H     17.75306518      8.91526773    -14.31444960
  H     16.23586568      3.43119673    -11.66076984
  O     14.04358898      8.95826622     -9.95231068
  H     16.72110006      8.37664709    -15.33725219
  H     17.47009743      2.11722602     -9.75637120
  O     14.78947440      0.92532745    -10.81732693
  H     18.05662357     11.05937385    -12.85221317
  H     18.03427838      0.77596225     -9.23383103
  O     12.83482118      6.90031395    -11.33045569
  H     16.79080009     10.17954874    -12.70547578
  H     14.26057684      5.59345650    -15.23223779
  O     18.97490639      5.47911381    -12.01059994
  H     13.32827353      3.72141819     -9.83046132
  H     13.22350965      5.49727795    -16.37344851
  O     15.43625215      3.22861502    -12.16672014
  H     14.21481218      4.08157848    -11.05000770
  H     16.98252938      8.40088184     -8.07662687
  O     17.22933429      1.27910703     -9.32431753
  H     14.41344077      9.18553485    -15.51040569
  H     16.99234752      7.95319919     -9.55863149
  O     13.55040929      6.07536781    -15.68869784
  H     14.52176200      7.71488701    -15.93404906
  H     17.89957070      8.66563531    -11.66704603
  O     16.46701270      7.94894934     -8.74029254
  H     15.52938131      4.24561208    -13.62766775
  H     16.90386307      7.47934817    -11.61419940
  O     17.69173649      7.85511318    -11.18656501
  H     16.53605076      5.05647882    -14.52074107
  H     12.64068698      9.30160085    -14.23490729
  O     13.09588182     10.13851774    -14.44542167
  H     15.17656655      8.84305394    -12.62436376
  H     12.42649830     10.75132523    -14.73505682
          69
 Energy    -250.07533563320010     
  O     11.67373122     11.39131895    -11.83626271
  H     11.01699325     11.07171871    -12.46825967
  H     15.26129867     11.38822682    -14.83899274
  O     13.10437340      7.04881993    -14.83926490
  H     12.48793946     11.52039821    -12.33525836
  H     15.35630353      8.36963139    -12.77041333
  O     17.79271366      9.23913463    -10.86703104
  H     13.36101206      6.84466681    -15.74562041
  H     15.77767207      6.95747453    -13.35176602
  O     17.26526889      8.95100566    -15.16388702
  H     13.91854741      7.33835780    -14.39236698
  H     10.98770401     10.07508658     -9.02118131
  O     12.22587544      9.66249768    -14.99201033
  H     17.90130425      8.42133518    -10.36474671
  H     11.50118095     10.31661884    -10.46136861
  O     15.40253148      5.94496566     -9.82511118
  H     18.34018633      9.14003928    -11.65526361
  H     18.56235130      6.18786371    -11.35595880
  O     12.38067734      6.21688460    -12.30234330
  H     16.92901121      9.82106469    -15.40729014
  H     19.00358746      6.88577444    -12.65718637
  O     15.19027841      9.65790418    -11.52884586
  H     16.56123565      8.54253201    -14.63447153
  H     10.47284052      8.42527526    -11.01956479
  O     14.45581123      4.30160311    -11.97735703
  H     11.34709093      9.79726908    -14.61846700
  H     10.81520706      7.24499670    -11.95742798
  O     14.24734811      6.98906970    -17.41669592
  H     12.42811583      8.71897471    -14.91310770
  H     18.60454412      8.80457692    -13.99206804
  O     16.71330810      6.27475780    -16.13724910
  H     15.10751343      5.29625918    -10.47425298
  H     20.08604756      9.00449312    -13.60397991
  O     15.86196246     11.36712132    -15.60319217
  H     14.73510997      6.64394144     -9.82865917
  H     17.30623097      5.41774150    -13.12557262
  O     15.36122156      7.80585637    -13.55334250
  H     12.97191088      5.47068830    -12.14288090
  H     16.55762331      5.45716305    -14.50296083
  O     11.33991625      9.63163563     -9.78786281
  H     12.51743131      6.46289293    -13.22882053
  H     17.05965327      6.40041274     -9.66404844
  O     18.72852797      6.03464972    -12.29501493
  H     14.62284762      9.10200975    -10.97864013
  H     18.33266157      6.42186878     -8.78556956
  O     10.17661793      7.95370603    -11.80839101
  H     16.10266273      9.59727303    -11.20670553
  H     14.74184170     10.27363936    -16.76171714
  O     19.25158828      8.67526663    -13.27933483
  H     14.43234599      3.34807686    -11.99203326
  H     13.31285865      9.78341456    -16.50194801
  O     16.45576859      5.25306593    -13.56211309
  H     15.16207624      4.57219298    -12.59021155
  H     12.74237798      8.46503796     -9.98125651
  O     17.99025261      6.68707189     -9.63464427
  H     13.96723130      6.74475648    -18.29480001
  H     13.07522188      7.35601360    -11.01621015
  O     14.05851604      9.69183213    -17.11189402
  H     14.23371828      7.96242641    -17.38007035
  H     13.43383508     10.61497448    -13.98943503
  O     13.44831525      7.88825146    -10.29886968
  H     17.09051273      7.15196021    -16.00012741
  H     14.46472612     10.68417709    -12.80379389
  O     14.05118182     11.19415002    -13.51767460
  H     15.89782673      6.42673502    -16.63116635
  H      8.93281335     10.12729572    -13.77035113
  O      9.85408110      9.99445981    -13.56553653
  H     16.08240147     12.27423224    -15.79930265
  H      9.90525810      9.21755016    -12.97978303
          69
 Energy    -250.07472346159923     
  O     14.73696169      3.74708562    -16.49448069
  H     14.67071858      3.63430770    -15.53833216
  H     17.24955098      8.30984841    -15.67017566
  O     17.51215792      6.94579922    -11.86542894
  H     14.33704720      4.60857864    -16.68446514
  H     16.95331598      6.15763343    -15.41541602
  O     19.53310646      7.93970036    -17.74817866
  H     16.69494478      7.38244309    -12.15286261
  H     15.52007999      6.62643686    -15.84972740
  O     17.17886653      6.62112469    -18.70160681
  H     18.22789282      7.41558512    -12.30913940
  H     12.67222416      8.33130522    -14.68815233
  O     13.92801847      4.90686326    -10.20785087
  H     20.25153265      8.23635466    -18.30019925
  H     12.49103740      6.91864025    -14.09091187
  O     14.68978215      3.81264655    -13.66394545
  H     19.93227799      7.47424619    -16.99114920
  H     16.97476828      3.73648098    -10.17835815
  O     15.31270594      8.03163116    -13.05597246
  H     17.17609393      5.69354683    -18.43849437
  H     16.18077840      2.57728062    -10.81402156
  O     18.31853728      4.90426853    -15.51997597
  H     18.01832092      6.99741983    -18.41046885
  H     13.30811078      6.75369456    -16.18924316
  O     14.36067944      2.30794678    -11.36258960
  H     14.81364921      5.16785984     -9.92809188
  H     14.14229033      7.01486479    -17.49346287
  O     17.08092572      3.87525860    -17.78888598
  H     13.99390785      3.97473176    -10.45046265
  H     19.77358900      9.25006776    -13.16140433
  O     20.39070202      6.70895674    -15.49573691
  H     14.17380853      4.59039574    -13.40643399
  H     18.76519949      8.78545706    -14.23231234
  O     17.84252630      9.07078825    -15.78475573
  H     15.61943705      4.02416819    -13.49808921
  H     17.44409973      5.24707334    -12.67121849
  O     16.29093610      6.85112489    -15.31212640
  H     15.64962131      7.59479330    -13.85591757
  H     17.39528497      3.74827146    -12.26915140
  O     12.33582106      7.44866092    -14.88470188
  H     14.78953282      8.78387561    -13.35777067
  H     17.02822258      6.09392863    -10.33153683
  O     17.07309750      2.92954733    -10.70009510
  H     18.04004275      4.50546685    -14.68262310
  H     17.00539547      5.96058229     -8.79449636
  O     13.97089145      6.37920535    -16.78961863
  H     17.96382580      4.39450603    -16.25877243
  H     15.78088881      7.65119039    -18.72452311
  O     19.28981366      8.48725200    -13.47090504
  H     14.41276230      2.73339817    -12.23488396
  H     14.70773800      8.37412081    -19.57341475
  O     17.36571824      4.35193056    -13.02526706
  H     13.80829535      1.53747886    -11.46603162
  H     14.03436581      6.76873922    -12.71226851
  O     16.67891376      5.56276097     -9.59828837
  H     17.20886337      3.11459454    -18.34872558
  H     13.42935752      5.71761379    -11.74783456
  O     14.98115912      8.20603905    -18.67550186
  H     16.21254497      3.76619513    -17.35840164
  H     14.24434048     10.02682381    -15.15530407
  O     13.37965954      6.05932553    -12.65228336
  H     20.19335497      7.24007809    -14.71694457
  H     13.31467924     10.78151773    -14.17555733
  O     13.71063029      9.93135845    -14.34620354
  H     19.74467097      5.98509831    -15.48995917
  H     15.14811326      9.50227360    -17.30291485
  O     15.30284988     10.07064208    -16.53800230
  H     18.42426001      8.84596679    -16.52190057
  H     16.22799044      9.93795013    -16.29591639
          69
 Energy    -250.07422570914866     
  O     11.62782521      9.88111555    -14.14670852
  H     11.93014591     10.77517917    -13.95242209
  H     19.51784596      9.11120712    -12.73038337
  O     16.81022828      6.98824772    -13.80222871
  H     12.18115579      9.57740535    -14.88037071
  H     14.91696253     12.01285309    -16.26397307
  O     16.88643178     10.31151257    -10.67346328
  H     16.87646121      6.59192321    -14.67800495
  H     15.74114706     12.73594762    -15.16469566
  O     17.51319127     12.98896073    -14.52950700
  H     16.32196317      7.81712723    -13.93479068
  H     15.33056975      9.93586988    -13.52635728
  O     13.91711887      6.37312129    -16.01154834
  H     16.11129966     10.57716477    -11.19253169
  H     16.46182362      9.79249331    -14.60458430
  O     15.37468127      8.80105530     -8.81125311
  H     16.52868313      9.90136616     -9.87775304
  H     10.31961173      7.82383949    -12.15535599
  O     15.10559661      6.17670568    -11.77435764
  H     17.82369331     12.70436539    -13.65142337
  H     11.33467220      8.65887534    -12.97322241
  O     14.59455318     10.73509591    -12.08514763
  H     17.94836838     13.81734953    -14.71585515
  H     16.52435211      7.29350596     -9.28835425
  O     16.95000242      8.98073019    -17.44320088
  H     13.65687021      7.29432023    -16.13844469
  H     17.62335957      7.02254098    -10.33244685
  O     18.09873297     10.34785416    -15.28358404
  H     13.52440051      6.09981852    -15.17045477
  H     13.58275374      5.78245205    -12.84294556
  O     16.55327041      6.27737963    -16.50659393
  H     14.67450343      8.66917369     -9.47215312
  H     12.25126253      6.49725471    -13.12530115
  O     20.01084332      9.74032600    -13.28483183
  H     14.94014714      8.90026383     -7.96783318
  H     19.18814130     11.32044375    -12.53276926
  O     14.84422215     12.56457049    -15.47565175
  H     15.70404886      6.11945785    -11.01710170
  H     18.01337973     11.51911067    -11.56347427
  O     15.65535403      9.39220320    -14.25475597
  H     15.66827178      6.34379403    -12.54362412
  H     17.84476437      7.70547410    -12.49288454
  O     11.25199081      7.96744964    -12.29121744
  H     14.13152818      9.96483682    -11.72386193
  H     17.79005893      8.88655662    -11.45886494
  O     16.97753974      6.58622510     -9.76335452
  H     13.95121343     11.32910601    -12.48943984
  H     15.69238416     10.16114249    -17.71174848
  O     12.86475406      5.84767492    -13.48561841
  H     17.49494522      9.40194246    -16.76431440
  H     14.90929902     11.06920478    -18.68735517
  O     18.54487729     11.97328932    -12.23016797
  H     16.83284215      8.06317505    -17.16993792
  H     12.74292478      8.25250290    -11.27784664
  O     18.34240623      8.16897134    -11.80237191
  H     17.96981947     11.29804598    -15.16710413
  H     14.15955562      7.62579295    -11.26685256
  O     14.98824914     10.83218161    -17.76727182
  H     18.80547744     10.08513849    -14.68074264
  H     12.51891452     13.23048665    -13.47618340
  O     13.64051353      8.37831527    -10.94385553
  H     15.58830072      6.25893294    -16.35968423
  H     13.57008448     12.45886819    -14.30933173
  O     12.91057155     12.36992590    -13.59693582
  H     16.76422819      5.50915892    -17.02992149
  H     13.82236284      9.71215459    -16.75902477
  O     13.53241620      9.15402288    -16.02947481
  H     20.92171502      9.45872459    -13.27856668
  H     14.25931001      9.18220770    -15.38754307
          69
 Energy    -250.07354482942043     
  O     -5.95441456      1.47877346     -0.49952389
  H     -6.27295485      1.82245724      0.34498437
  H      1.36476671      3.49140285      2.89473019
  O     -4.17824469      0.32054139     -4.42810952
  H     -5.16782525      1.99886968     -0.72058250
  H     -0.08837287      4.08697438      0.82907960
  O     -6.45448211      2.47868027      2.05939053
  H     -3.93018023     -0.60944326     -4.35304189
  H     -0.25846164      3.87194198     -0.69995801
  O     -1.01756575     -1.40613346      2.72900401
  H     -5.03951271      0.39646247     -3.99876104
  H     -3.55560420      3.82420275     -0.71327510
  O     -2.55846951     -1.33470014      0.37013777
  H     -7.20254816      2.82299290      2.54022833
  H     -3.08653005      2.39854146     -0.32404490
  O     -3.29678828     -2.31917565     -3.73731575
  H     -5.73502870      3.12738831      2.16051786
  H      0.17218897     -0.29815064     -1.51571047
  O     -5.29322276     -1.14558811      0.35694288
  H     -0.73013859     -2.13383463      3.27323617
  H      0.74230661      1.12970233     -1.51909294
  O     -1.53624379     -0.93031829     -2.13888350
  H     -1.62569609     -0.86915848      3.27156647
  H     -6.09777960     -1.44303134     -2.49197179
  O     -2.28224815      1.66966374     -2.99351614
  H     -3.51902123     -1.39225711      0.47417009
  H     -4.89021246     -2.37912430     -2.66420944
  O      0.49116536      0.70035181      1.53033598
  H     -2.12038596     -1.53146854      1.20691297
  H     -2.29912902      2.26428908      2.33671707
  O     -2.73181976      0.14926633      4.07303072
  H     -2.88409385     -3.02623026     -4.22661519
  H     -1.24399181      3.07842012      3.10004746
  O      0.56999757      3.26697046      2.41784043
  H     -2.60247885     -1.91687826     -3.18913128
  H     -5.34677120     -0.55175684      2.16306412
  O     -0.51762564      4.43566642      0.03886178
  H     -5.49653608     -0.23812215      0.09249889
  H     -5.68081517      0.83676065      2.73486896
  O     -3.64147102      2.89368889     -0.94956227
  H     -5.47135340     -1.68929364     -0.42459360
  H     -2.44744278      0.46754450      0.62380531
  O      0.85743133      0.25688817     -1.12278371
  H     -1.80169645     -0.03094366     -2.37755368
  H     -1.18796093      1.30327158      0.86334820
  O     -5.68304907     -2.23760304     -2.13278895
  H     -1.88935774     -1.11809354     -1.25501396
  H     -2.11486447      5.11856669      0.09963550
  O     -2.15426453      2.76706923      3.15381839
  H     -2.90658659      1.27704762     -3.62099330
  H     -3.03708354      6.32448381     -0.20011524
  O     -5.24615338      0.00271623      2.94681188
  H     -2.81068940      2.14796459     -2.33835560
  H     -6.46636161      0.79477321     -2.07855039
  O     -2.14033306      1.37723718      0.72833067
  H      0.74105053      0.45466866      0.62552120
  H     -7.50477259      0.61815080     -3.20725802
  O     -3.04315697      5.41560126      0.08691499
  H      0.08572863     -0.06534359      1.95534085
  H     -3.64317342      3.79623170      2.77470315
  O     -6.62635252      0.36436618     -2.93443429
  H     -3.64398423      0.05256729      3.75883995
  H     -4.00033224      4.71668266      1.59712764
  O     -4.38886582      4.21345912      2.32170628
  H     -2.52146114      1.08690792      3.99320963
  H     -0.72195592      2.41507534     -2.58788071
  O      0.10812184      2.78415674     -2.24071864
  H      0.65309639      2.33264288      2.15736482
  H      0.56292717      3.17347899     -2.98447048
          69
 Energy    -250.07323203886637     
  O     19.06223228     17.38601208    -15.07714776
  H     18.20845861     17.03555587    -14.78064225
  H     17.92551579     12.90593235    -15.93601402
  O     20.17765387     10.96186245    -14.04100030
  H     19.29176997     18.10939161    -14.48115427
  H     14.19078765     13.84226741    -10.70168356
  O     16.81159295     16.06576378    -11.50535891
  H     19.41726981     10.58447397    -13.58500906
  H     14.73255443     13.77963113    -12.14959979
  O     14.64636967     15.37164509    -15.91953794
  H     20.36821803     11.79444824    -13.58451913
  H     20.44696387     16.23289337    -14.55783449
  O     17.30866846     12.28313020    -11.02241930
  H     16.76252471     16.19647697    -12.46314222
  H     21.33356480     15.12682394    -15.16526086
  O     14.41001073     13.43255226    -13.80700531
  H     16.12515973     15.42166083    -11.29137754
  H     18.27602516     15.05688391    -11.00010379
  O     20.43118959     11.41752561    -16.69276010
  H     15.30902647     15.09677788    -16.57916021
  H     19.63816235     15.12258643    -10.27206407
  O     21.08956000     14.22016748    -16.68768226
  H     13.91395181     15.74147742    -16.40467322
  H     16.64655877     11.48490391    -15.36798523
  O     18.56172779     18.13133399    -10.71771576
  H     17.97542032     12.93775943    -10.77995627
  H     16.69532530     10.84459701    -13.94475927
  O     20.30282194     13.47832214    -12.90371234
  H     16.47123835     12.76163488    -11.04646622
  H     19.36403112     16.70141230    -18.23319246
  O     16.61116589     14.64031934    -17.63263605
  H     14.42438082     14.06008843    -14.53835231
  H     19.07925122     16.63393112    -16.71930166
  O     17.78205958     12.29772364    -16.67838340
  H     14.89144874     12.64745290    -14.10465574
  H     21.54111078     17.07284487    -11.46809500
  O     14.98427549     13.93834658    -11.22156089
  H     20.37819165     11.20376845    -15.74304301
  H     21.76926978     16.76412562    -12.97435681
  O     21.18715925     15.64437195    -14.35895640
  H     20.99564536     10.76108573    -17.09137082
  H     20.60473530     18.64523918    -12.80263925
  O     19.01583399     14.51488915    -10.68972594
  H     20.36044172     14.70194431    -17.09549896
  H     20.15364938     20.09425248    -13.10972353
  O     16.18055331     11.42158251    -14.52352652
  H     20.87827001     13.28126430    -16.74669162
  H     20.95000827     16.91127228     -8.95288240
  O     19.05178697     16.12006324    -17.54277692
  H     18.84115412     18.55691221    -11.53696106
  H     19.89784299     17.22402876    -10.04611042
  O     21.78919901     17.46869474    -12.31198628
  H     17.84711543     17.52155011    -10.94686774
  H     17.65816801     10.89274561    -11.99868432
  O     19.84677178     19.19180121    -13.08161655
  H     19.93765636     13.80959875    -12.07260633
  H     17.72689152      9.35271852    -12.12575223
  O     20.63370706     16.63030700     -9.80737997
  H     20.70164940     14.22927268    -13.36556118
  H     17.28335796     12.99930336    -14.04820224
  O     17.81569913     10.16126100    -12.62342052
  H     16.92697442     13.73844910    -17.48643506
  H     18.71868110     13.56896858    -13.80271860
  O     17.88868165     13.71548705    -14.27394409
  H     17.40475264     15.18891690    -17.66095169
  H     17.17377816     15.29084717    -14.27662034
  O     16.75638797     16.16947586    -14.26414275
  H     18.64231559     11.89602895    -16.84963635
  H     15.95430829     16.08815678    -14.79213197
          69
 Energy    -250.07240687698527     
  O     15.70121713     10.12545891    -14.81205655
  H     16.58420056      9.78657877    -15.01124718
  H     19.00655737      4.42344773    -15.18530840
  O     15.75225274      7.18337978     -8.62938515
  H     15.06702642      9.42821961    -15.03129138
  H     16.14330060      6.89647031    -10.42698783
  O     13.12666202      7.91029880     -9.50819613
  H     15.92959175      8.13385389     -8.50617469
  H     15.94326056      7.86164213    -11.62240306
  O     13.98369319      8.00045697    -15.17421077
  H     16.04102682      6.74354295     -7.83469543
  H     18.02476949      7.77928644    -16.35957625
  O     18.24325255      9.07965445    -15.02322471
  H     13.14504241      8.85859108     -9.33228906
  H     16.95393271      6.90178095    -17.06310423
  O     18.45175985      7.14022712    -13.01803045
  H     13.96088138      7.56102588     -9.17297978
  H     17.74818284     12.11843149    -11.64813302
  O     11.97499300      6.89099470    -11.72946034
  H     14.11259533      7.36117354    -14.45882918
  H     17.99967439     13.62893378    -11.85991116
  O     15.14122172     12.50493747    -13.44541707
  H     14.25386572      7.55195798    -15.98472071
  H     15.20408020      5.72217739    -16.56983827
  O     12.16012417      9.24843702    -13.34911326
  H     18.29589418      8.42877194    -14.30730632
  H     14.71357262      6.02126362    -18.00840368
  O     13.35210458     11.16867580    -11.80313292
  H     18.76864161      9.84074199    -14.74910181
  H     14.76049026      9.95813669    -11.87369379
  O     13.42390132     10.73219458     -9.13839893
  H     18.49740142      6.35591407    -13.57886568
  H     15.70837046      9.67414912    -13.04843834
  O     18.35286993      5.06387890    -14.91701977
  H     17.71099084      7.00812542    -12.40958267
  H     20.28586894     11.83733121    -14.27165825
  O     16.22066243      6.96081188    -11.38567446
  H     12.36815866      7.24319987    -10.91066545
  H     18.99461203     11.86528720    -13.42669242
  O     17.88758087      6.94160585    -16.82225519
  H     11.17203518      6.44221448    -11.47849523
  H     18.40478676     10.16140213    -10.88510715
  O     17.84982412     12.80955430    -12.32578443
  H     16.01543490     12.71763231    -13.10348456
  H     16.87680414     10.24645206    -11.15722893
  O     15.08850522      6.42871602    -17.23216512
  H     15.28453642     11.77948921    -14.07118745
  H     13.43183612      6.23022360    -12.67772062
  O     15.57018479      9.49017764    -12.10989040
  H     12.66198692      8.92709259    -14.10798442
  H     14.96988824      6.27892383    -12.50569594
  O     19.60689960     11.27969687    -13.89850177
  H     11.98598496      8.46811376    -12.80812868
  H     19.89331698      9.91885247    -12.47408034
  O     17.60285541     10.65848853    -10.66412241
  H     12.83369821     10.58448857    -12.37829768
  H     19.43686368      8.48736081    -12.12512803
  O     14.26634793      6.07030046    -13.13603674
  H     13.88341169     11.75647232    -12.35993683
  H     15.20079408     10.26613550     -8.63206958
  O     19.74780028      9.31601764    -11.73594154
  H     12.84144635     11.31707393     -8.66064663
  H     16.67974942     10.23237390     -9.09407213
  O     16.06047186      9.86620321     -8.44912092
  H     13.35230485     10.97335452    -10.07877858
  H     15.04564104      5.01663501    -14.44719952
  O     15.51351190      4.66325010    -15.21671162
  H     18.25135678      5.69012651    -15.65725561
  H     16.45355604      4.68024171    -15.00097488
          69
 Energy    -250.07078072534398     
  O     14.07854986      4.28409533    -10.93728501
  H     14.45518386      4.87005263    -10.27026670
  H     11.95013340      9.33356181    -14.02171391
  O     14.51449061      9.88058790    -16.24697327
  H     14.76097392      4.17956948    -11.61273465
  H     16.84282649      9.90975655    -11.34777932
  O     18.07691527      8.87440606    -14.31625436
  H     14.05521485     10.15066882    -17.03828375
  H     17.36946670      9.17541821    -12.64645369
  O     16.31134150     11.42084874    -10.61270689
  H     13.85389562      9.85455522    -15.53402017
  H     13.97754482      8.24107245    -11.47316178
  O     10.51183602      8.24994406    -13.64277438
  H     18.67882841      8.20608806    -13.96870097
  H     15.27509573      8.64568821    -12.21256462
  O     11.54707956      5.80542261    -14.11677265
  H     17.40069043      8.39304122    -14.81840029
  H     10.98081697      3.88217013    -11.20840575
  O     17.34753717      6.45941339    -11.07946655
  H     16.16005717     12.02581808    -11.35102096
  H     12.39865278      4.48464860    -11.32364630
  O     13.58130095     10.99323443     -9.73870476
  H     15.45144021     11.29054384    -10.19542949
  H     18.73943799      6.49820719    -12.29915280
  O     17.72142969      5.23713913    -15.00734621
  H      9.60354528      8.29505639    -13.92901153
  H     20.21391220      6.41828393    -12.74388707
  O     15.71085273     12.93720673    -12.94185669
  H     10.84204476      7.36630600    -13.89009875
  H     14.26954263      6.94661266    -13.42843282
  O     13.15706220     11.90059270    -12.26062507
  H     12.50186787      5.89058094    -14.24870058
  H     14.86476518      5.54028203    -13.66653336
  O     12.80912558      9.76839607    -14.09599764
  H     11.44714134      5.29777752    -13.30141082
  H     17.26044094     10.54202067    -14.71738352
  O     16.95444113      9.05292859    -11.78347506
  H     17.22955242      7.40214631    -11.28100790
  H     15.90522334     10.83803612    -15.39098292
  O     14.36219281      8.35982776    -12.34928585
  H     16.75793499      6.28633582    -10.33629727
  H     15.58173588      8.29682113    -16.07343222
  O     11.45926519      4.64376715    -11.52475553
  H     13.14911347     11.58769028     -9.13039990
  H     15.43167130      7.03760527    -15.20448888
  O     19.33614470      6.63038869    -13.05299127
  H     13.35753066     11.30319980    -10.63492865
  H     11.20087262      6.45589574    -11.07960709
  O     14.30203847      6.21655149    -14.06493968
  H     18.39013471      5.66980951    -14.46178479
  H     10.90099596      7.79942352    -11.77076973
  O     16.59754711     11.23140124    -14.84538827
  H     17.25611254      5.94785445    -15.46417727
  H     16.69377496      4.57770194    -13.62436192
  O     16.07430772      7.54635709    -15.72140895
  H     15.99159324     13.81859434    -13.17295768
  H     16.57063324      5.18929625    -12.21327930
  O     11.16465268      7.41006452    -10.92975419
  H     16.05464171     12.34470183    -13.63385688
  H     15.31808331      6.07757324     -8.21505782
  O     16.16051682      4.55425638    -12.81687497
  H     12.93462053     11.26303118    -12.94998040
  H     14.63604829      6.92836067     -9.30859954
  O     15.26197970      6.19895617     -9.15992148
  H     13.97433833     12.33020361    -12.54507063
  H     12.57340447      7.93875883    -10.03240933
  O     13.45532569      8.18922584     -9.71122698
  H     13.39529098      9.31116497    -13.47160687
  H     13.48527110      9.15094638     -9.62572779
          69
 Energy    -250.07057905294803     
  O     11.29560080      9.26934961    -15.74249668
  H     10.53033090      9.18037073    -15.14490851
  H     17.42327384      9.02608789    -10.36406902
  O     11.44111045      7.94816838     -9.38167812
  H     11.05179471      8.84646129    -16.56193906
  H     14.25843916      7.81666797    -12.40854152
  O     13.05831556      8.56787381    -13.64130299
  H     12.12208515      7.26687512     -9.42971607
  H     14.43700306      7.10527715    -11.02242747
  O     13.59311499     12.70986873     -7.57094660
  H     11.81016766      8.65119050     -8.82989562
  H     14.40297561     15.65370246    -11.84915436
  O     10.79742101     12.11812617    -15.37403209
  H     12.58754940      8.68801817    -14.47450045
  H     14.96358629     14.22156708    -11.68741579
  O     11.11899093      9.17479027    -11.80403292
  H     12.40221626      8.74336688    -12.94604708
  H     14.22706916      6.80946599     -8.89270161
  O     14.93489225      8.04641297     -7.90383155
  H     13.33303607     13.29419807     -6.86485972
  H     13.82747276      5.34593543     -9.20846992
  O     14.24690914     10.30776472    -10.70946255
  H     13.14455921     13.02508857     -8.37850709
  H     17.30679535     10.25120282    -12.38490346
  O     12.95581724     10.03102500     -8.25941784
  H     11.52326896     12.54033129    -14.89339957
  H     17.93687540     10.98783704    -13.59027505
  O     16.35806034     13.22730591    -11.36554465
  H     11.08614667     11.22185104    -15.58212521
  H     10.09845020     12.02921501    -12.19481976
  O     12.76123867     13.07512846    -13.61971055
  H     11.11099872     10.12934863    -11.65638403
  H     11.58959494     12.34360283    -12.40597568
  O     17.35667313      8.89224757    -11.31648512
  H     11.14595306      8.72810317    -10.94657451
  H     15.19813474     12.17006222     -8.39918548
  O     14.84479146      7.71965998    -11.64661007
  H     15.78436612      8.47441123     -8.05839173
  H     15.31110879     11.26494349     -9.64546370
  O     14.14680195     14.73580780    -11.81716298
  H     14.27470128      8.75221475     -7.86673217
  H     14.06427656     10.09444783    -13.60844402
  O     13.76274963      6.23967253     -9.53362506
  H     14.48332965      9.39098742    -10.90446414
  H     15.39796508     10.91248428    -13.41071548
  O     17.19807231     11.00828493    -12.98795190
  H     14.19676774     10.74646007    -11.56588183
  H      9.43187083     12.09399129    -14.27056475
  O     10.96016678     11.98850022    -11.76122170
  H     13.05457978     10.89463524     -7.84485583
  H      8.03680699     12.55781634    -13.78596521
  O     15.83587423     11.77709638     -9.00758685
  H     13.26814492     10.14337755     -9.17089629
  H     18.07212825      9.66180091     -7.94782077
  O     14.43534843     10.97212170    -13.44382179
  H     16.70712315     12.54053752    -11.94558347
  H     16.87851147     10.38481312     -8.61432817
  O      8.76630327     11.98504511    -13.56647634
  H     16.30896626     12.83358152    -10.48467906
  H     12.99874124     13.97173380    -10.50729673
  O     17.31833907      9.52341313     -8.51613031
  H     13.39626204     12.34115809    -13.64760372
  H     11.84201492     12.95121283    -10.40139904
  O     12.45462861     13.48329034     -9.87789473
  H     13.18561590     13.77693965    -13.11311290
  H      9.82220409      9.03339351    -13.11046646
  O      9.29076815      9.18603676    -13.90564308
  H     16.56596804      8.35387598    -11.46331660
  H      8.91664620     10.06812803    -13.79288590
          69
 Energy    -250.06973495607389     
  O     11.80983632     10.70358288    -14.21410690
  H     12.34929560     11.50172652    -14.21347702
  H     15.82111231      6.19378001    -15.07059916
  O     16.34171341      6.95600037    -13.34153876
  H     12.19593318     10.12654094    -14.88886578
  H     18.94224065      8.61791711    -13.79938973
  O     17.14415185     10.43476633    -10.95411300
  H     16.04861880      7.78847905    -13.74868729
  H     18.09225010      7.35791753    -14.06029491
  O     17.56108192     10.82148119    -15.54295590
  H     15.68667245      6.75466864    -12.65931238
  H     14.92646512     11.45146482    -17.10271130
  O     12.66891443      6.29688927    -15.69623897
  H     16.73576520     10.18488783    -10.11216633
  H     16.09688864     11.79452850    -16.16191833
  O     15.60983016      9.42346501     -8.88897020
  H     16.42125336     10.79115182    -11.49113631
  H     14.67364729      9.18046321    -15.00750725
  O     14.45387605      6.78448395    -11.29061448
  H     18.03029534     10.82608052    -14.69868253
  H     16.13396267      9.74877467    -14.96175874
  O     14.96437258     11.11986512    -12.50542800
  H     18.05298540     10.22958655    -16.12721162
  H     10.18374260      9.27007842    -11.93077178
  O     16.29489799      8.07850650    -17.74862474
  H     12.03505809      5.66978525    -16.03321922
  H     11.30654384      9.71410218    -12.90074515
  O     16.21181055      6.59080078     -9.08012205
  H     12.50445763      6.37728700    -14.73867731
  H     17.45534873      7.35318832    -11.82185317
  O     18.91901306      8.76289420    -16.90802907
  H     15.77952084      8.48435673     -8.75116812
  H     17.64420571      8.60572447    -10.95818790
  O     15.49897257      6.09563645    -15.97337083
  H     14.78793810      9.46192125     -9.39728123
  H     11.78638768      7.43794065    -12.76832217
  O     18.86966605      7.83942083    -14.36560405
  H     14.17124427      7.70192596    -11.15597100
  H     12.98179364      6.52421793    -12.42699716
  O     15.21098598     12.07730963    -16.42630682
  H     14.93735089      6.54014931    -10.49270823
  H     18.34094073     10.48455894    -12.27851350
  O     15.46182539      9.27396954    -14.45675518
  H     15.11969244     10.43160947    -13.17122296
  H     19.75432526     10.80933297    -12.79421614
  O     11.09113845      9.10456908    -12.17100381
  H     14.54597153     11.84870610    -12.97659552
  H     15.16064219      9.29013326    -18.11706603
  O     17.83272565      7.65874510    -10.98844329
  H     17.22319711      8.25670676    -17.56380264
  H     14.30148972     10.02393744    -19.17749640
  O     12.26160806      6.64948091    -13.05791271
  H     16.03380417      7.34595140    -17.17146258
  H     12.63813741      9.32145106    -11.16362017
  O     18.91361743     10.44403741    -13.06147239
  H     16.64084965      5.96683163     -8.50127779
  H     13.98106577     10.05336012    -11.39836168
  O     14.47370266      9.97239469    -18.24174021
  H     16.89074316      6.91090974     -9.70151583
  H     13.53719299     13.79966061    -14.37580841
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  H     18.95606499      8.34000656    -16.03081814
  H     14.21952287     12.61181831    -15.09205795
  O     13.69753193     12.86236734    -14.30860495
  H     19.75116799      8.58423140    -17.33691674
  H     13.46698507      9.31544481    -16.85361526
  O     13.13345528      9.03807581    -15.99062481
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  H     12.93673953      8.09296966    -16.01919496
          69
 Energy    -250.06967991773473     
  O     18.42632108     14.65910816    -16.05102391
  H     19.17423747     14.25268837    -16.50483735
  H     18.50620790     10.49893507     -9.74375673
  O     21.54134795      9.30383599    -14.81193278
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  O     19.21634085     13.37357289     -9.96574479
  H     22.35023795      8.80777804    -14.90895132
  H     21.08500021     18.05627701    -11.52544657
  O     15.35768611     13.43864835    -13.08094898
  H     21.77265588     10.13338286    -14.35710729
  H     20.74435868     12.51365285    -10.56418928
  O     19.97938787      9.73333434    -10.28254206
  H     18.76185314     13.68550931    -10.76224748
  H     22.28723512     12.63201853    -10.56627509
  O     15.96758800     10.87293751    -11.80547949
  H     18.68928864     12.63296146     -9.64160089
  H     17.55036520      8.81496493    -13.56040131
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  H     16.36682556      9.70354351    -13.14172169
  O     21.82442092     14.20606197    -14.68363082
  H     14.47874933     13.79814313    -12.98715659
  H     21.07144687     13.54514023    -18.05867669
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  H     20.66757058     10.39705334    -10.41489256
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  H     17.36614896     10.63085639     -8.70907296
  H     18.35777689     13.15689027    -12.74022459
          69
 Energy    -250.06938197616205     
  O      0.07308828      1.07203218      3.21904352
  H     -0.76754037      0.66066149      2.96569393
  H     -4.82759097     -1.01416063      4.24095591
  O     -2.81529141      0.10564908     -2.86102597
  H     -0.12380042      2.00346639      3.37082632
  H     -3.07621157     -0.19816059      5.72532996
  O     -0.13821962     -0.86528067      5.22664046
  H     -2.40434974      0.80250139     -2.33320389
  H     -2.85564319      0.37623731      7.14402112
  O     -4.36530204     -1.17562889     -0.96536473
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  H     -0.10654022      4.66331928      0.27788585
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  H     -0.88489389     -0.47710748      5.69800597
  H     -0.46244125      3.79505453      1.50284139
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  H     -4.11736394      0.32466946      0.07631449
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  H     -3.03389078      1.42441410      0.06756469
  O     -3.07142765     -3.65187421      3.88340864
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  O     -6.38622126     -0.63648675      3.35676868
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  O     -2.50323630      0.38255604      6.25752573
  H     -5.59566872      1.11270813      3.11472932
  H      1.18570559      2.32395413      0.66955813
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  H     -4.70005437      1.75140883      2.04513603
  H     -2.73839839      1.93791197      5.12169893
  O     -3.79246249      1.09173612      0.56615410
  H     -3.32850445     -3.96774642      3.00918663
  H     -3.68163735      2.41860563      3.98550301
  O     -2.29199829     -0.21736769      2.48810954
  H     -2.10669729     -3.64040382      3.90992882
  H     -0.18253168     -2.43947402      4.48142934
  O     -2.33019924     -3.12724849     -0.52257155
  H     -1.60288613      3.42428482      3.69996166
  H      0.42249281     -3.85929777      4.39695930
  O      1.58125692      1.47201618      0.88392400
  H     -0.45784578      4.43904112      3.91363907
  H     -0.40679560     -2.65564743      2.25078733
  O     -2.88505802      2.64739455      4.48751232
  H     -1.07175227      2.44342713     -0.44122354
  H     -1.32467296     -1.49179676      1.81816941
  O     -0.22537824     -3.28477326      3.99835711
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  H     -4.24222503     -5.29346320      0.99195125
  O     -3.98635013     -4.41567144      1.26642894
  H     -6.22390775     -1.18067777      2.56526997
  H     -5.29770900     -2.98680548      1.32197468
  O     -5.81386378     -2.18034919      1.21192304
  H     -3.69977369     -2.09645890      4.39546490
  H     -5.50189837     -1.78480255      0.38728188
          69
 Energy    -250.06879705366990     
  O     17.21592183      9.73910979    -15.59339403
  H     17.05960798     10.64518532    -15.89037555
  H     13.77345214     10.63746632    -11.12740467
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  H     18.01893451      9.72684747    -15.05406675
  H     20.01831203      6.31464274    -13.79490634
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  H     12.66782878      7.20204352    -10.28809697
  H     19.07673295      5.18670476    -13.36139053
  O     15.80563912      7.42824024    -16.15364297
  H     13.02398690      8.45506511    -11.12094847
  H     15.79033399      6.61925040    -12.57256012
  O     19.33671531      9.52449678    -13.82871867
  H     15.71874842     12.49867734    -15.83593481
  H     14.95138503      7.31294696    -11.45839602
  O     19.71099575     11.98620072    -12.59082738
  H     16.57446186     12.84109489    -17.08060907
  H     20.06595779      8.24634947    -14.84534617
  O     18.48556241      8.00379506    -11.67835363
  H     16.29426556      8.25529948    -16.03026987
  H     21.20426364      7.64492843    -15.69827363
  O     12.92967882      6.37794369    -13.71040635
  H     14.86991693      7.65955709    -16.19436538
  H     15.36863783     12.89388803    -11.91297271
  O     14.27665248     12.72031878    -14.92158456
  H     19.57494154     10.38767320    -13.46882290
  H     14.93407978     14.37709177    -11.84552232
  O     12.98982974      7.97980047    -15.89516202
  H     18.99730992      9.00091427    -13.08645043
  H     17.40282332      6.42204759    -16.53842371
  O     13.10337198     10.27811926    -14.19728342
  H     20.43473766     12.57733017    -12.40243166
  H     18.91355532      6.49920902    -16.19046436
  O     12.94870465     10.18682129    -11.34959678
  H     19.01669327     12.51786479    -13.02015193
  H     15.71415635      8.78039841    -12.88786832
  O     19.65001372      5.88107349    -13.01574207
  H     18.95857773      7.21939610    -11.99317895
  H     16.20028316      9.65394869    -14.09975681
  O     15.82279760      7.28767014    -11.87224791
  H     17.55392866      7.74944414    -11.62427819
  H     17.44237648     13.07697192    -14.68966889
  O     20.33866239      7.45807692    -15.34283715
  H     12.89322185      6.73858820    -12.81657824
  H     16.93970234     13.57582423    -13.32134063
  O     15.27532409     13.70978450    -12.43491101
  H     13.77949447      5.92183562    -13.78144870
  H     15.60735237     10.76439333    -11.99587321
  O     18.20969104      5.89729806    -16.46447193
  H     14.49449368     13.12371312    -14.07208001
  H     16.44629106     11.14151857    -10.77058859
  O     15.60839859      9.62766888    -13.33989317
  H     13.74224621     11.93891023    -14.72700855
  H     16.33400555      4.95906123    -14.10344494
  O     17.73917538     13.35630815    -13.81572597
  H     12.32378730      7.70858575    -16.52190135
  H     15.71963937      6.21837132    -14.77152666
  O     15.59383210     11.31162642    -11.19475232
  H     12.89160980      7.40059975    -15.11720786
  H     18.74165514     11.13223831    -11.12822285
  O     15.61744955      5.60059703    -14.03244769
  H     13.99203791     10.04102260    -13.88305780
  H     18.34663889      9.69683605    -10.75158596
  O     18.18449084     10.62244690    -10.52832513
  H     12.88591849      9.60032265    -14.84610464
  H     18.10667645      3.18449486    -14.74733991
  O     17.92795689      4.07901698    -14.47051354
  H     12.80617795     10.32355262    -12.29593892
  H     18.06097682      4.64908968    -15.25034421
          69
 Energy    -250.06876146346264     
  O     17.48376619     10.07264082    -14.75697628
  H     18.12913454      9.35250738    -14.79801238
  H     17.52187781      3.60403203    -15.20379487
  O     14.06559409      7.04701854     -9.62887581
  H     16.71766518      9.81321721    -15.28484558
  H     15.55394788      7.90895350    -12.22549731
  O     12.27706282      8.86143761    -10.92511449
  H     13.91299053      6.41051861     -8.93607648
  H     14.95182676      6.86675156    -11.24357146
  O     15.13685058      9.20249332    -15.97029446
  H     14.46569534      7.83079420     -9.20923014
  H     18.28865353      5.82727161    -16.30452783
  O     19.36427819      8.05846068    -14.54133461
  H     12.78946504      8.16785230    -10.49367596
  H     18.96984697      7.18885536    -16.12750475
  O     20.78584021      9.65676893    -12.71687175
  H     12.52843746      9.68950894    -10.49656803
  H     17.50260580     13.20922180    -10.42267572
  O     17.94878613      6.29404444    -12.92168653
  H     15.46993505      8.74885418    -16.75520476
  H     17.33564772     11.69194296    -10.66603183
  O     11.80438929      8.92662074    -13.55953138
  H     14.73503801      8.51372750    -15.42106647
  H     17.11574805      7.26522792    -17.57943547
  O     14.44118972     12.49492285    -11.77722817
  H     19.99173834      8.54834922    -13.99625238
  H     16.34904765      7.56103617    -18.88962712
  O     13.83023042     10.84520826    -14.01744435
  H     18.88722786      7.45387032    -13.95255522
  H     16.55527983      9.73420938    -13.24125857
  O     13.20954503     11.24640825     -9.71001297
  H     20.22168872     10.44328251    -12.82671246
  H     15.09347407     10.04654846    -12.86600005
  O     17.47208871      4.55106254    -15.10431727
  H     21.68411523      9.96815762    -12.64896738
  H     18.48399784     11.30823212    -13.80961648
  O     15.37322222      6.96262960    -12.10587679
  H     17.85646836      5.60601443    -13.59348627
  H     18.47498551     12.10444016    -12.48679422
  O     18.53316464      6.62875543    -16.78341501
  H     17.05397050      6.46326595    -12.59475968
  H     16.72227889      9.85453976    -11.01314192
  O     17.25761948     12.56654873    -11.08457163
  H     11.92181981      8.87753332    -12.59267033
  H     17.99769623      9.31865449    -10.33201600
  O     16.25512205      7.54433212    -17.94108639
  H     10.86603239      8.92629692    -13.72660627
  H     14.35438995      7.01779534    -13.61018721
  O     15.88922855      9.60214067    -12.55212343
  H     14.24442073     12.12644062    -12.64764535
  H     13.07543177      7.69251618    -14.17760398
  O     19.05975560     11.71098152    -13.14405389
  H     15.40055073     12.55562803    -11.69475371
  H     18.83761473      7.37076137    -11.50519368
  O     17.28429710      9.96429129    -10.22943797
  H     14.25686507     10.50996168    -14.81635213
  H     19.80018007      8.57706458    -11.49179507
  O     13.86997592      7.20567463    -14.42688601
  H     13.04601315     10.29581580    -13.88495900
  H     15.91751961      9.57007848     -9.06446969
  O     19.16340079      8.09039787    -10.95268340
  H     13.64097210     11.72490601    -10.43939541
  H     14.46085134     10.06130628     -8.91159953
  O     15.06754336      9.35530602     -8.65592443
  H     12.68796805     11.88706132     -9.23358855
  H     15.43189968      6.11925935    -16.90495305
  O     15.17658847      5.49731956    -16.21313692
  H     16.60937773      4.82537546    -15.46413649
  H     14.60370363      5.99305109    -15.61228704
          69
 Ord_Energy   -249.784775    
 O   -3.40625644      -1.97526836       7.70549011    
 H   -4.00796366      -1.59836543       8.34233570    
 H   -2.94841266      -1.23274839       7.27544785    
 O   -4.03054190      -5.34610271       3.35790610    
 H   -3.93490076      -4.77918768       4.14100790    
 H   -4.80881739      -5.87965584       3.49845147    
 O   0.261864781      -2.23846483     -0.150299460    
 H   0.123674490      -2.85301924      0.589812934    
 H   0.598662496      -2.75727105     -0.877125561    
 O  -0.525987685       1.34600377       2.10798812    
 H   -1.34113145       1.51766336       1.62419593    
 H  -0.447326303       1.98922276       2.83105779    
 O   0.519780040      -1.08162344       7.08228302    
 H  -0.331198752     -0.632714689       6.96658182    
 H   0.683838844      -1.56125844       6.26124525    
 O    2.86052012     -0.765459061       3.67860150    
 H    3.80707312     -0.780252934       3.56841326    
 H    2.47522807     -0.549384177       2.80900741    
 O   -1.19644320      -5.96934605       3.39532757    
 H  -0.992985308      -5.62002134       4.27523661    
 H   -2.15838718      -5.97415829       3.33541417    
 O   -1.25864220     -0.713611484       3.83218098    
 H   -2.15514207     -0.991993606       3.60834503    
 H   -1.00714111       7.38138007E-03   3.24013710    
 O   0.747806907      -2.38945413       4.42632580    
 H    1.57613480      -1.94788587       4.19628859    
 H    2.63797101E-02  -1.77403057       4.20695019    
 O   -3.41811824      -3.59994435       5.42973089    
 H   -2.48922634      -3.87452149       5.45814371    
 H   -3.58103347      -3.13342452       6.25870609    
 O   -3.86834788      -1.60449672       3.50204015    
 H   -3.70512295      -2.13575959       2.71091390    
 H   -3.80336952      -2.22148728       4.24289322    
 O   -3.01341724       1.38149130      0.789187312    
 H   -3.32298899       1.88269377       3.93261015E-02
 H   -2.83121204      0.480238378      0.467443645    
 O    1.60885119     -0.229666501       1.36907029    
 H   0.903619051      0.407238662       1.55840433    
 H    1.22773635     -0.881103635      0.770750105    
 O  -0.867832303      -3.31587410       8.21234798    
 H  -0.274256349      -2.57214332       8.04302025    
 H   -1.75414240      -2.93662834       8.22915745    
 O   -1.98928154      -3.88013991E-03   6.40995836    
 H   -2.33089209      0.895118654       6.32436991    
 H   -1.70748925     -0.252688974       5.51710939    
 O  -0.757960200      -4.39198971       5.67954159    
 H  -0.148452118      -3.77201915       5.25756645    
 H  -0.744351685      -4.19055843       6.62661219    
 O   -2.95423269       2.44664717       5.57026815    
 H   -3.38868189       2.04808879       4.79408598    
 H   -3.47015858       3.21066165       5.81254482    
 O    1.56712437       1.10207665       5.48872375    
 H    1.34981549      0.497618020       6.20643616    
 H    2.07656717      0.577434957       4.86009073    
 O   -2.38382936      -1.13560164      -1.50014898E-02
 H   -2.78765154      -1.92096925      0.374268711    
 H   -1.46257639      -1.37794948     -0.168083817    
 O   -4.08867598       1.20974779       3.42688775    
 H   -4.19117355      0.252299458       3.50467920    
 H   -3.79109049       1.36216092       2.52154756    
 O   -3.04365349      -3.39578176       1.54426408    
 H   -3.47117853      -4.13720179       1.99035430    
 H   -2.09836626      -3.47926021       1.73377275    
 O  -0.331955343       2.81554246       4.36170387    
 H   -1.15157568       2.75985909       4.86371231    
 H   0.334252685       2.29378915       4.83499193    
 O  -0.263388723      -3.75925016       2.08347487    
 H  -0.499138147      -4.63450623       2.42787027    
 H   0.162145346      -3.28769946       2.80818295    
          69
 Energy    -250.06859325168705     
  O      1.00501657      2.54981390      3.08442104
  H      1.70325071      1.89376066      2.97667158
  H     -4.05474476     -1.00453869      4.11367663
  O      0.00400466      3.62727422      0.58695222
  H      0.75942930      2.86511461      2.20636263
  H     -2.79318850     -0.79145425     -0.18653113
  O     -0.31584939     -1.95879097      4.08129154
  H      0.00045829      4.57580068      0.48442046
  H     -2.37112074     -2.21633866      0.32069455
  O      1.64257097     -2.82172483     -2.51104036
  H     -0.92974670      3.34942063      0.61705967
  H     -1.28008189     -3.68235292     -1.43847086
  O     -2.14963040     -1.21520749     -3.49741413
  H     -0.60992999     -1.49194113      4.87578001
  H     -0.19159209     -3.39858576     -2.48588020
  O      0.61427881     -0.43681333     -3.32587062
  H     -0.54632121     -1.36834681      3.34800413
  H     -1.56076056      0.53311022      2.52519335
  O     -2.74623346      1.74502781      3.26462065
  H      1.35676788     -1.93768736     -2.80424392
  H     -1.74481488     -0.66353083      1.56223082
  O     -2.31558976      0.54494643     -1.31531687
  H      2.30117515     -3.11670792     -3.13420080
  H      1.35290200     -1.73342854      0.38635228
  O      0.32008640      1.57464725     -1.37124745
  H     -1.87399610     -2.06082495     -3.10020872
  H      1.63375071     -2.85616574     -0.62747060
  O     -3.95287925     -2.28851539      2.95978770
  H     -2.70453402     -1.42953530     -4.24239523
  H      1.43848904     -2.14979971      3.50049377
  O     -1.73831742     -4.11527483      3.18112669
  H     -0.31130034     -0.62388381     -3.52573928
  H      2.10248055     -2.50930282      2.15217856
  O     -4.06655789     -0.24985002      4.72919077
  H      0.60889647      0.35510748     -2.77283410
  H      0.38638585      0.01562812      1.18404753
  O     -2.94946598     -1.45939447      0.49461472
  H     -3.31256633      1.11580651      3.73083195
  H      1.92165651      0.25198040      1.25441680
  O     -1.14709315     -3.48006961     -2.37331622
  H     -2.14027271      2.10950385      3.92387602
  H     -0.07979574      2.47134347      4.42110544
  O     -1.09370845     -0.19859516      2.10494204
  H     -2.39394936      0.01778584     -2.12127390
  H     -0.59954688      3.14200537      5.71394596
  O      1.43225899     -2.69619524      0.30293841
  H     -1.42128576      0.91348565     -1.33059714
  H     -2.36358847     -0.29841332      5.63504340
  O      2.27590830     -2.11828701      3.01709907
  H      0.27239073      2.41757621     -0.90758982
  H     -1.13784944      0.62275210      5.75098445
  O      1.20099650      0.02239267      0.65576298
  H      0.71102515      0.96678925     -0.72233344
  H      3.93045526      0.60143748      2.83906293
  O     -0.75932956      2.41579532      5.11725094
  H     -3.79463731     -1.97599736      2.05794988
  H      2.79057175     -0.43963060      2.92650181
  O     -1.44418835     -0.27479972      5.92997975
  H     -3.32081410     -3.00285030      3.09933968
  H     -0.26482949     -3.32935369      0.44855240
  O      2.98946158      0.49362446      2.72968022
  H     -1.61750120     -4.88829776      3.72658230
  H     -1.39541378     -3.92745703      1.32969434
  O     -1.19165828     -3.61115248      0.44175579
  H     -1.19652824     -3.40783980      3.57173896
  H     -2.76873642      2.38683397      1.50868200
  O     -2.54493330      2.70472649      0.62340826
  H     -4.91656061     -0.26304699      5.16083879
  H     -2.69651460      1.97891278      0.00744317
          69
 Energy    -250.06838430251457     
  O     12.79193817     12.94139470    -16.88010262
  H     12.66020417     12.01459740    -16.64443226
  H     12.24945395     14.21962591    -15.85021535
  O     16.37112281      9.41243764    -12.36030287
  H     13.67156667     12.99065287    -17.27403234
  H     11.90420467     13.74775149    -12.15118164
  O     15.21655171     15.54534054    -11.52826270
  H     16.42244338      8.50804393    -12.69339750
  H     11.55066638     14.03205554    -13.63833657
  O     12.90701681     10.26067333    -15.99997122
  H     16.65533925      9.98409243    -13.08876683
  H     18.27433596     13.72973958    -13.26274388
  O     16.23093543      6.89896177    -13.59972462
  H     15.01691745     15.60833224    -12.47289657
  H     19.55887031     13.70567115    -14.12274792
  O     15.44901558      7.63694277    -16.08835315
  H     14.48654283     15.04357673    -11.14946395
  H     13.46634089     11.00642934     -8.71625456
  O     14.85042903     12.52785195    -13.23560053
  H     12.67581858      9.32428784    -15.96148326
  H     13.57317712     10.64866648    -10.21498783
  O     13.67170322      9.45683880    -11.52521567
  H     13.85584145     10.30031108    -16.18957976
  H     15.73394421     13.21622111    -18.74197110
  O     15.63700631     10.39476859    -16.62326919
  H     16.80852081      6.14173909    -13.64222414
  H     15.93545944     13.45384301    -17.22649627
  O     16.67194211     14.42133633    -16.00554215
  H     16.03011725      7.15228373    -14.51920184
  H     12.81073965      7.33253271    -14.71861955
  O     12.50765352     11.02473896    -13.37612525
  H     15.60330881      8.53873291    -16.39946241
  H     11.96125791      6.84055579    -15.91414713
  O     12.00938900     14.93389427    -15.23176795
  H     14.49192419      7.51323737    -16.09519883
  H     16.37940952     10.88710957    -11.19383750
  O     11.37702861     13.43776411    -12.89712756
  H     15.25018071     12.41792334    -12.36380221
  H     15.43703341     11.64902726    -10.22217719
  O     18.63330941     13.47885836    -14.13398227
  H     14.03139249     12.01697010    -13.26299479
  H     17.69452979     11.87779817    -14.35059079
  O     13.64639307     11.37877225     -9.57618735
  H     13.17477694      9.96342407    -12.19001333
  H     16.18526403     11.72983106    -14.08114106
  O     15.47175881     12.90054018    -17.88145047
  H     14.59340409      9.43104379    -11.81924623
  H     13.16110332     13.08439444    -10.18699236
  O     12.60835325      7.49200057    -15.65759906
  H     16.18583674     10.63087408    -15.86116744
  H     12.49566464     14.42061702     -9.81217009
  O     16.19237754     11.75546788    -10.81101736
  H     15.61817983     11.17746507    -17.18804245
  H     14.35938707      6.88203873    -13.16987590
  O     16.97235909     11.23862121    -14.36825143
  H     17.39719087     14.15908359    -15.42759040
  H     13.35145773      7.78876389    -12.44355031
  O     12.95587988     13.97055646    -10.51912031
  H     15.99291032     14.79943504    -15.42913416
  H     16.83481885     14.67504878    -11.61862084
  O     13.41640877      7.07368369    -13.08768328
  H     11.96121565     11.81632052    -13.25898091
  H     17.25620885     13.23915969    -11.27389910
  O     17.55761357     14.03958443    -11.72132923
  H     12.54730356     10.79108635    -14.31253993
  H     13.73873608     15.18516757    -14.58783043
  O     14.63147376     15.10061655    -14.23308873
  H     11.44045180     15.53133943    -15.70930195
  H     14.70308742     14.19663990    -13.88568264
          69
 Energy    -250.06813865043489     
  O     -3.96990359      1.52535752      2.06221592
  H     -4.22887994      2.37929232      2.39904605
  H      2.40806504     -2.03254790      2.18379939
  O     -2.48927229     -3.47629200      6.78262289
  H     -3.80174372      0.95947762      2.83475133
  H     -1.68609986     -2.31362769      1.47798010
  O     -0.59810754     -0.31481650      3.98914235
  H     -2.78392445     -4.29085485      6.35768721
  H     -1.37839098     -0.83650814      1.09066010
  O     -3.37907509     -0.22511205      4.08736082
  H     -1.65833441     -3.23628641      6.34771603
  H     -3.45542155     -3.33073572      1.51800565
  O      2.34357062     -3.56961529      4.76504441
  H      0.14217529      0.25181027      3.74690335
  H     -2.24800782     -4.24415476      1.84883269
  O     -3.34977356     -5.60482546      5.06654282
  H     -0.79546529     -0.81991921      3.18029094
  H      1.30916918     -2.58161920      0.01563728
  O     -0.31869458     -2.81336851      5.18509264
  H     -3.73194057     -0.60889327      4.90074045
  H      0.47957944     -2.37472574      1.28262852
  O     -5.43509635     -3.67761349      4.65306714
  H     -2.41544939     -0.19568043      4.16756801
  H     -5.01148207     -2.82598063      3.13894414
  O     -2.01813332      0.67211318      0.18632357
  H      2.57833505     -2.83669603      4.16669891
  H     -4.09031871     -1.60054359      2.95271950
  O      1.23034446     -5.12007846      2.57093493
  H      3.11402623     -3.74964338      5.29646071
  H      1.04915569     -1.87577351     -2.46350959
  O     -1.80648593     -2.69447339     -1.37075458
  H     -2.65179158     -5.39975272      4.42204060
  H     -0.16061064     -2.08881164     -1.52657256
  O      2.80071831     -1.61229592      2.96264794
  H     -3.38557952     -6.55538273      5.13728049
  H      1.32555340      0.86197978      1.75100816
  O     -1.11684030     -1.55937933      1.67488132
  H      0.60404131     -3.09613175      5.14262279
  H      2.05515071      1.79103216      2.74365984
  O     -2.68307701     -3.76738945      1.12856303
  H     -0.35321462     -1.90018353      4.87156935
  H     -0.17960103      0.85634225      0.05568783
  O      1.28241336     -2.80440280      0.95276934
  H     -5.20681005     -2.99210669      5.29264669
  H      0.89128038     -0.09621300     -0.48813067
  O     -4.58464050     -2.27347792      2.46825537
  H     -4.80803605     -4.39757857      4.79911343
  H     -4.39035691     -0.62126348     -0.93031274
  O      0.74510034     -1.73287291     -1.57128111
  H     -2.54248038      0.30184164     -0.53545072
  H     -4.19371154     -0.36559716     -2.44328000
  O      1.58106654      0.96557212      2.68494536
  H     -2.64041040      1.05861946      0.81502641
  H     -3.65850225     -2.22333246      6.57190332
  O      0.76914045      0.66941340      0.08502395
  H      1.69546873     -4.76200387      3.33665576
  H     -4.74043321     -1.28941078      7.16518629
  O     -3.73243451     -0.62022460     -1.64875506
  H      1.29919741     -4.43571301      1.89047641
  H     -1.10253848     -4.00686519      3.98089660
  O     -4.34722146     -1.57238740      6.34394637
  H     -2.50864769     -2.05569695     -1.54557542
  H     -0.50173208     -5.06738716      3.04963035
  O     -1.34392757     -4.73997510      3.39799381
  H     -2.10641092     -3.21941223     -0.61775379
  H     -5.06466608      0.31993482      0.98639808
  O     -5.35893263     -0.46186510      0.50430618
  H      2.48655948     -0.70168965      2.94853652
  H     -5.24692212     -1.19512539      1.12589860
          69
 Energy    -250.06785236938714     
  O     15.94718772     13.50461442     -9.33410910
  H     16.88974142     13.42704206     -9.13813195
  H     13.39492307     14.76598971    -14.12184348
  O     13.86406410     12.37105435    -16.19449013
  H     15.51005366     12.76474893     -8.89333764
  H     13.45707587     14.97060053    -11.78332795
  O     16.77323372      8.99113052    -11.24170518
  H     13.56021843     11.61268643    -15.68056137
  H     11.94122496     15.04714781    -12.07414505
  O     17.33146011     16.29039651    -12.02830080
  H     14.72791143     12.11923506    -16.54106566
  H     20.93556801     12.53958139    -13.61143943
  O     13.53781135     10.19943305    -14.40958810
  H     17.25587374      9.63366907    -11.78461142
  H     19.74927037     13.19212605    -12.86344055
  O     15.93414394      7.35182452    -13.40839852
  H     16.55024312      8.26472896    -11.83496046
  H     14.32884756     10.93532715     -7.44577856
  O     16.05127396     12.68015059    -12.04162480
  H     17.04083518     15.80362339    -12.82081412
  H     14.54509198     10.65109011     -8.95079904
  O     14.19032979      9.85989151    -10.48384088
  H     17.58098960     17.16378713    -12.32028407
  H     17.10633216     12.09475310    -16.54876322
  O     16.28934936      9.68097945    -14.86109483
  H     14.47957218     10.05763577    -14.57748511
  H     16.73747600     11.46309114    -17.91240744
  O     18.10284611     13.18921661    -15.65657698
  H     13.24957121      9.44039342    -13.88314474
  H     16.70597287     10.56669574     -8.51652268
  O     13.44117850     11.87246674    -12.22368327
  H     16.23560031      6.56757310    -13.86017016
  H     17.40293257      9.78730947     -9.64423654
  O     13.91474049     14.83998514    -14.92974795
  H     16.06913567      8.09548449    -14.01983639
  H     19.05863616     13.75115744    -10.69106683
  O     12.73667146     14.57371997    -12.30430602
  H     15.14350157     12.37734509    -12.18131151
  H     18.62701722     14.93010975    -11.60454954
  O     19.98358913     12.57290246    -13.57864807
  H     16.08983790     13.00491535    -11.13453666
  H     17.25127964     11.54855702    -12.59207308
  O     14.89391714     11.14073755     -8.18575876
  H     15.07453898      9.59913884    -10.77993556
  H     18.68075734     11.32294307    -13.15277151
  O     16.50776421     11.46278656    -16.98714760
  H     13.87976462     10.57416349    -11.06119004
  H     15.59770969     15.95386640    -11.19755739
  O     17.56990824     10.39128650     -8.90973132
  H     16.87638966     10.11238431    -14.22324241
  H     15.10335015     14.93984038    -10.16128398
  O     19.23345103     14.18354202    -11.53586178
  H     16.37446846     10.17595464    -15.68624060
  H     14.10313568      7.68529300    -12.84847750
  O     17.86689166     10.86833206    -12.91034361
  H     17.53330062     13.79281637    -15.15819700
  H     13.40887029      8.54123142    -11.77643184
  O     14.79484160     15.58712108    -10.81005882
  H     18.83047588     12.97498916    -15.06274584
  H     19.27584946     12.97250495     -8.33479003
  O     13.25973732      8.09546812    -12.61859158
  H     13.06130592     12.75649010    -12.30140396
  H     18.37379268     11.94306186     -9.05239500
  O     18.67441715     12.86916494     -9.06820533
  H     13.36041757     11.40733971    -13.06870361
  H     16.31609707     13.95331188    -13.32362598
  O     16.43876272     14.65258261    -13.98152531
  H     13.80739100     14.00694486    -15.41437816
  H     15.57407022     14.81007849    -14.39084682
          69
 Energy    -250.06770889031685     
  O     12.70919174      4.46677599    -11.79139579
  H     13.36039406      4.29518553    -12.48333608
  H     16.88541565      8.24538249    -10.51317577
  O     15.96057100     10.67158771    -15.17928552
  H     13.20651730      4.56779481    -10.97096584
  H     15.42069949      7.79717922    -11.94004296
  O     18.20704609      8.52363993    -13.50823504
  H     16.06037100      9.75537770    -15.47060379
  H     13.98036838      7.82694920    -11.40222872
  O     16.03402995      9.50457808     -9.40053833
  H     15.19354629     10.68523456    -14.59016288
  H      9.82519088      5.66965830    -11.93623058
  O     11.26002628     10.15271202    -13.08912278
  H     17.52759107      8.30805207    -14.16650314
  H     11.36346093      5.52653022    -11.98047601
  O     16.98707037      3.20579990    -15.12657835
  H     18.29053617      9.48472578    -13.49464796
  H     20.69162369      6.48866366    -13.98781796
  O     11.35164952      7.73731618    -14.31037785
  H     16.03453795     10.18839660    -10.09509656
  H     19.29822142      7.10694185    -13.74570703
  O     16.43717727      4.91665606    -11.30895721
  H     16.37536597      9.91654539     -8.61119123
  H     14.22376601      5.81323397    -14.40279546
  O     17.93462941      5.73810569    -16.11816787
  H     10.49410768     10.64307524    -13.37428017
  H     14.07998807      7.18320614    -13.73030084
  O     16.09439948     11.26894482    -11.43484608
  H     11.27240752      9.32548892    -13.60523562
  H     18.53411964     12.04649522    -13.89455387
  O     14.02428138     10.51903132    -13.14350873
  H     17.56760258      3.35920005    -14.35843112
  H     17.29786222     11.16796989    -14.20915327
  O     17.08665951      7.57429706    -11.17698072
  H     17.19168957      2.33584531    -15.45850090
  H     16.87848528      7.17342062    -15.84681290
  O     14.50479903      7.95725439    -12.19879815
  H     11.03540139      7.13977667    -13.62033087
  H     15.48589245      7.51492085    -15.25636699
  O     10.63152611      6.16492075    -12.05299735
  H     12.20174771      7.37893433    -14.59690215
  H     17.85265431      4.16666884    -12.27982631
  O     19.76301615      6.27556102    -13.93301414
  H     15.77176629      4.81424638    -10.61841074
  H     18.98009932      4.69460007    -13.19969198
  O     13.96882073      6.72797757    -14.58017949
  H     16.74948787      5.83116354    -11.24039300
  H     11.48135542      9.17499421    -11.41923088
  O     18.01935325     11.31411032    -13.56775018
  H     17.55586285      4.87292976    -15.92037925
  H     11.19973809      7.69464708    -11.11629993
  O     16.34924426      7.89179947    -15.47066684
  H     18.65884964      5.85180982    -15.49117081
  H     15.47557907      3.83081430    -14.19972994
  O     18.47820535      3.90302960    -12.96827229
  H     16.82782756     11.36492388    -12.05271889
  H     15.43724937      4.54676680    -12.83274246
  O     11.59041017      8.49657066    -10.74353874
  H     15.30417793     11.16585263    -11.98384111
  H     14.15582185      4.63231905     -8.60498775
  O     14.88780036      4.28797185    -13.58686885
  H     13.06228549     10.57759244    -13.16776258
  H     14.11462634      5.96109662     -9.39545129
  O     14.28692359      5.00640561     -9.47248291
  H     14.22280824      9.62078832    -12.83915022
  H     14.46712628      8.38117353     -9.34249553
  O     13.79844308      7.68886601     -9.40641451
  H     17.55999846      7.98658447    -11.91313765
  H     12.96279249      8.08217046     -9.70542651
          69
 Energy    -250.06740935458060     
  O     14.79770706      6.14901677     -7.83713976
  H     13.92350120      6.11549895     -8.26607936
  H      9.88966228      9.32802286    -14.17321129
  O     13.05760645      5.63891588    -15.11151577
  H     14.65245285      6.00539342     -6.90613080
  H     16.60094363      8.32515436    -12.30682835
  O     16.46599156      6.80841310    -15.13411368
  H     13.40606794      6.19289660    -15.82072617
  H     15.20020892      8.08072049    -12.91138755
  O     14.60007388     10.84917432    -13.68953856
  H     13.75888877      5.01118069    -14.89388489
  H     14.06070721      6.23962789    -12.19550251
  O     10.83728266      6.08798942    -13.52770446
  H     16.39084661      7.49007410    -14.45216975
  H     13.37757407      6.77679427    -13.46645535
  O     18.49269523      3.97894839    -11.28420651
  H     15.84203725      7.03846531    -15.83350241
  H     12.07510242      5.64895378     -9.85176604
  O     11.56698383      4.57280310    -11.38962676
  H     15.13905090     11.63436925    -13.74239316
  H     12.47976856      7.10692531     -9.54685489
  O     17.46552238      7.51421665    -10.93691986
  H     15.18906676     10.12355752    -13.42310993
  H     18.13598537      6.05067056    -14.84697676
  O     12.11927458     10.48439857    -12.25982054
  H     11.46764676      5.82829016    -14.21508504
  H     18.61710894      4.66245102    -14.38090153
  O     17.81179156      3.01865424    -13.72565556
  H     10.73305480      7.04354185    -13.61132504
  H     14.64794333      4.30567715    -12.60703897
  O     13.07000754      9.32456257    -15.54127151
  H     19.04711363      4.75347341    -11.43757119
  H     13.39672295      4.34871610    -11.64047384
  O     10.72284688      8.91261899    -13.96391559
  H     17.77627926      4.27810818    -10.70767588
  H     13.89370432      8.15416589    -16.46479585
  O     16.01731481      8.59181462    -13.02958073
  H     11.26264038      5.14591139    -12.11530279
  H     14.27358323      7.54643364    -17.83970273
  O     13.81107729      7.05401598    -12.65276673
  H     10.89306317      3.90885897    -11.26834104
  H     16.16848175      3.75768454    -14.14186867
  O     12.42505776      6.22102807     -9.16079618
  H     18.33449515      7.26084841    -11.27148939
  H     15.77236571      5.20089378    -14.51849721
  O     18.90507469      5.57480670    -14.50531809
  H     17.05643920      6.69763179    -10.61432054
  H     20.72192045      6.64305627    -12.11795341
  O     14.35069973      4.48714400    -11.70408334
  H     12.94965688     10.74400657    -12.67538688
  H     19.52702048      6.17776834    -12.98385122
  O     14.35225580      7.41103185    -16.89966688
  H     12.36742417      9.94842591    -11.49221733
  H     15.90253000      5.40917148     -9.12559327
  O     15.40790607      4.33996804    -14.26506566
  H     18.03729638      3.29182069    -12.81772633
  H     15.62575923      4.85202173    -10.54256547
  O     19.79549615      6.42158710    -12.07986754
  H     18.17272026      2.14483632    -13.84738129
  H     15.34506019      7.85095417     -8.59694457
  O     16.33234719      5.14894484     -9.94921926
  H     13.57722165      9.92076764    -14.97679354
  H     16.26679197      8.40496027     -9.70038032
  O     15.49576688      8.61952710     -9.16178179
  H     12.23369628      9.16361730    -15.08800497
  H     13.25424860      8.09897365    -11.25770084
  O     13.06039503      8.61834094    -10.46383003
  H     11.15668237      9.48221600    -13.30348164
  H     13.90365778      8.74920873    -10.00423381
          69
 Energy    -250.06680784496945     
  O     16.75241679      7.38304248    -16.11400357
  H     17.42189756      6.79114783    -16.48144951
  H     20.19988271      5.31557248    -13.92103961
  O     20.26945147      7.99528298    -10.15531943
  H     16.04410425      6.82384570    -15.75932639
  H     18.16028531      3.83441473    -12.03787339
  O     14.99451877     10.18001304    -11.32135615
  H     21.01293846      8.30835911     -9.64749204
  H     18.84690739      5.18784147    -11.75723622
  O     13.34876373      9.50622798    -15.10332740
  H     19.74417964      8.78083923    -10.39541571
  H     16.27275652     10.54603671    -16.63666467
  O     18.63468341      5.45004817    -16.83715838
  H     14.16640617     10.44730617    -11.73634990
  H     16.32194232      9.12989928    -16.02347627
  O     12.14870291      7.89373576    -12.03111857
  H     15.69660496     10.26980657    -11.98105696
  H     17.51078173      7.55657385    -14.43978773
  O     18.20320449      6.28147468     -9.15695352
  H     14.24706901      9.76307677    -15.33951115
  H     17.07360155      7.08559353    -13.03175791
  O     14.54250677      7.54452089    -10.56765834
  H     13.11112120      9.99793186    -14.30682230
  H     11.64856893      6.85047220    -15.26990518
  O     19.97672964      6.45818149    -12.47038519
  H     19.19685293      5.22981072    -16.07234227
  H     12.75593869      7.88385728    -14.94713703
  O     15.97628269      7.45103035     -8.17529887
  H     19.15077379      5.26465953    -17.61719951
  H     15.94488379     10.29433951     -9.69922328
  O     15.89269338      5.92831794    -12.32462003
  H     12.88504395      7.61802092    -11.46869392
  H     16.39599938      9.29239456     -8.62026959
  O     20.03981496      4.69677897    -14.64619462
  H     12.23901075      7.42183618    -12.86754471
  H     18.29127242      1.77496480    -13.58860854
  O     18.16316279      4.58434810    -11.42990300
  H     18.92531688      6.86116266     -9.42973275
  H     17.63308016      3.01287875    -14.24053287
  O     16.05966455     10.04953535    -15.84976876
  H     18.16891515      5.56779039     -9.80533249
  H     11.76152772     11.06538946    -12.34096848
  O     17.72293107      7.62856136    -13.50114643
  H     14.72817591      8.45394780    -10.84638051
  H     12.28688190      9.60743779    -12.34519182
  O     12.44171902      6.98090070    -14.75643353
  H     14.92000958      7.44796012     -9.68430369
  H     18.05009780     10.18677849    -10.08082565
  O     16.59923722     10.15475598     -9.00078310
  H     20.24630261      6.96734484    -11.69630012
  H     18.31171227     10.37306416    -11.59080576
  O     18.24398822      2.72601173    -13.53854255
  H     19.25086322      6.95464894    -12.88032142
  H     17.36948837      9.34923719    -13.17431015
  O     12.50832880     10.52609645    -12.58632448
  H     15.83749965      7.15680519     -7.27936664
  H     16.75757851     10.43785108    -14.05603804
  O     18.73379580     10.11839632    -10.76516999
  H     16.78657987      7.01292895     -8.49297029
  H     14.01386669      6.04870797    -14.88054370
  O     17.07628299     10.27402534    -13.16206159
  H     16.58012478      5.39687527    -11.90282689
  H     15.21475228      5.72834669    -13.94959375
  O     14.91653148      5.70892546    -14.87245915
  H     15.41498224      6.42999117    -11.64964085
  H     15.97891762      4.27049654    -15.37680703
  O     16.71863847      3.68151698    -15.57773106
  H     19.56845288      3.95049143    -14.25659180
  H     17.31609406      4.19436468    -16.13461084
          69
 Energy    -250.06679333159821     
  O     16.02751535     11.76014372    -12.85296945
  H     16.63665529     11.45174625    -12.17277454
  H     19.08979630      8.58282487    -13.32141690
  O     13.76320675      6.48537055    -14.60448190
  H     16.30536089     11.32687131    -13.67274171
  H     15.08742804      7.61624541    -14.03616216
  O     15.84856286      6.07436075    -10.29984884
  H     14.01018151      5.81915069    -13.95166438
  H     16.12368754      8.78403043    -14.12959455
  O     14.66996343      9.92948799    -16.92455569
  H     13.02132652      6.98328228    -14.23290623
  H     13.04279608     12.66631071    -12.56200380
  O     11.63898516      7.61978660     -9.54247251
  H     15.75609687      7.02776248    -10.44571221
  H     14.31637320     11.79617927    -12.69217760
  O     11.84777583      8.03103953    -13.36137765
  H     15.07134178      5.79146857     -9.79633707
  H     13.32755091      4.07149562    -12.00709860
  O     15.62653493      8.71229709    -10.99387935
  H     13.97395018     10.00829507    -16.24691579
  H     12.34101776      2.92303520    -11.70537477
  O     17.86520132      6.58581766    -16.30069346
  H     14.35689951     10.39587074    -17.69496607
  H     12.35087018      9.40603314    -14.55958636
  O     10.70454276      6.08605559    -11.79716255
  H     12.07589813      8.31460145    -10.06189248
  H     12.98599440     10.76651438    -14.22759996
  O     15.22274582      7.11584445    -16.94763939
  H     11.11908179      8.06320953     -8.87645945
  H     19.03006020      5.51503710    -10.65243404
  O     17.27447184      5.59244522    -13.75108710
  H     11.30855329      7.34020714    -12.94976027
  H     17.56677042      5.97797429    -10.82337724
  O     19.06886180      8.61782073    -12.35769074
  H     12.26535404      8.50546180    -12.63027297
  H     15.12544998      5.23208305    -11.80755646
  O     15.85241720      8.02059286    -13.60614342
  H     15.71087703      8.47562423    -11.93305838
  H     15.67053292      4.77726751    -13.15883476
  O     13.34345727     11.76480840    -12.63802831
  H     16.31357351      9.36367959    -10.81277938
  H     12.81585437      6.14550642     -9.27497331
  O     12.49827315      3.85152611    -11.55181006
  H     16.96928062      6.74471120    -16.63445763
  H     13.02279126      4.76447269     -9.92155880
  O     12.82946903     10.14764902    -14.95074406
  H     17.75949468      6.01875963    -15.52618966
  H     18.68525243      7.95431576    -15.67437295
  O     18.44864646      6.00106617    -11.23205488
  H     10.88934175      6.54875752    -10.97005126
  H     19.90986107      8.89924211    -15.70647713
  O     14.87097542      4.76674278    -12.61723540
  H     11.22761825      5.27575996    -11.76537943
  H     13.90395988      9.16328962    -11.02826246
  O     13.40685165      5.38206126     -9.28737229
  H     14.63336341      6.78326568    -16.25814440
  H     12.99253547     10.28493519    -11.57647740
  O     19.08606826      8.73753788    -15.25451739
  H     15.00841896      8.05113538    -17.04333723
  H     18.28319990      9.88078348    -11.46703649
  O     12.97742021      9.41632107    -11.15519821
  H     16.84800049      6.46452279    -13.74510493
  H     18.35924076     10.91781244    -10.32082245
  O     17.76248356     10.52229564    -10.94989724
  H     17.82683930      5.57261158    -12.96063368
  H     16.14477396     10.16756388    -15.83091835
  O     16.73287104     10.24522188    -15.06790319
  H     18.90955880      7.72297430    -12.03613530
  H     17.57718802      9.82112331    -15.26855453
          69
 Energy    -250.06538306990319     
  O     10.06657268      6.24542682    -12.66342579
  H     10.44552635      7.13165241    -12.70159496
  H     16.11117352      5.83146288    -14.38810570
  O     13.47742032      4.27883697     -8.67363386
  H     10.48738445      5.74935619    -13.37497730
  H     13.59970219      5.06682422    -12.28727124
  O     16.77180978      8.73373798    -13.34021725
  H     14.34377408      4.42230369     -9.07701960
  H     14.55089879      6.15099973    -12.85566029
  O     17.49816615      4.64783656    -13.93968298
  H     13.01353410      3.64417079     -9.23266185
  H     10.69870364      5.55511527     -9.62640366
  O     17.23001949      7.33386449     -9.77534237
  H     16.30565052      8.88389939    -12.50568732
  H     10.14239966      5.41620190    -11.07043442
  O     12.10893198     11.24452005    -13.35415538
  H     16.63253379      9.51519955    -13.88947111
  H     15.15702813     10.63778640    -15.16132098
  O     11.91377378      6.47611290     -8.41388008
  H     17.87488721      5.30308693    -13.32480670
  H     16.37416936     11.53594753    -15.49176274
  O     12.90494650      7.34922786    -15.00328760
  H     18.21888011      4.33172046    -14.47831202
  H     12.62723971      7.50760249     -9.75406481
  O     15.75593412      3.05339041    -12.33290773
  H     17.68653218      7.70464832     -9.02375631
  H     13.35889558      7.12073402    -11.07079314
  O     14.76305551     11.44447734    -12.26438575
  H     16.63512037      8.02771966    -10.10440553
  H     18.00458539      7.44865461    -12.77261793
  O     15.78274997      4.90490959    -10.14789314
  H     11.84813380     10.33921589    -13.11009102
  H     18.12665910      6.76985333    -11.40907003
  O     15.46806136      6.55035583    -14.37778921
  H     11.32339351     11.78194756    -13.29681542
  H     15.25901302     10.05482659    -11.23453815
  O     14.04593722      5.89584966    -12.07329623
  H     12.49951038      5.69698241     -8.43159019
  H     14.61203086      8.75501322    -10.69415921
  O     10.29629673      4.93496399    -10.24385689
  H     11.68700107      6.63030765     -7.50099476
  H     13.27522520      9.16204215    -15.51426194
  O     16.01268064     10.95987935    -14.82421052
  H     12.39730718      6.52878891    -15.01703032
  H     12.98674501     10.55147904    -14.90350288
  O     13.04247790      7.87380085    -10.54379632
  H     13.82926900      7.07996325    -14.89700903
  H     11.19431688      3.48917044    -10.37562761
  O     18.36843681      6.66553482    -12.33613991
  H     16.37188034      3.48927373    -12.93486252
  H     11.33168137      1.96095997    -10.15161707
  O     15.46301659      9.17473200    -10.88375999
  H     15.89346376      3.48468316    -11.47976826
  H     12.10559377      8.41661607    -11.97843398
  O     13.54807985     10.08741352    -15.53816109
  H     13.83632413     11.45811693    -12.53456157
  H     12.13802901      8.17655463    -13.52557195
  O     11.80757991      2.73292326    -10.44522771
  H     15.26547279     11.44514625    -13.08793402
  H     12.11974387      4.27053157    -14.08440245
  O     11.65839522      8.62242778    -12.81249937
  H     15.19755366      5.26644809    -10.83173582
  H     11.20037426      4.26019299    -15.32434423
  O     11.59581061      4.83703347    -14.67489332
  H     16.34946394      5.63894229     -9.88649636
  H     14.00434273      3.15850581    -12.74600829
  O     13.07048203      3.40724918    -12.82878093
  H     15.93905896      7.34620014    -14.08846278
  H     12.61203109      3.08396318    -12.04106250
          69
 Energy    -250.06429551093592     
  O     14.61722359     12.25725783    -16.40806419
  H     15.15209701     12.13519387    -15.61625770
  H     18.39398771      8.15286876    -11.87016875
  O     14.15469216      7.47700703    -12.99645320
  H     13.73359542     12.46246909    -16.07677736
  H     17.46629203      8.26343987    -16.69826799
  O     16.65370885     10.82780022    -11.24527404
  H     14.56365971      8.04375470    -13.66993922
  H     17.87967430      7.54540884    -15.36102062
  O     18.43062352     10.68772228    -14.34143607
  H     14.60215370      7.67698770    -12.16346554
  H     14.54419482      9.03986959    -15.65664816
  O     13.28105285      8.81044896    -16.99278933
  H     17.58526938     10.58353556    -11.30616343
  H     16.05084201      8.79205569    -15.28494387
  O     11.98795884      9.20337608    -12.81083976
  H     16.38257554     11.08849265    -12.13562068
  H     11.60280611     13.43539705    -14.92580071
  O     15.66435334     11.49262310    -13.81680812
  H     18.27543904      9.92391042    -14.91717050
  H     12.47504638     12.44918045    -14.11928251
  O     15.12027079      5.63745671    -14.90717295
  H     17.59377131     11.15976962    -14.28169191
  H     13.35608129      9.03702850     -7.96076081
  O     11.12969265      8.94882668    -10.22695187
  H     13.53812541      7.90125743    -17.19675361
  H     12.61576977      9.08200441     -9.31778887
  O     17.86789462      6.03221755    -14.27454883
  H     13.72398884      9.38654030    -17.63028138
  H     11.91276462      9.51564013    -15.97742027
  O     14.41390168      6.29749830    -17.43556512
  H     11.64057119      9.37624501    -13.69833257
  H     11.50372477     10.87830908    -15.37461827
  O     17.85677998      7.35234115    -11.91829657
  H     12.66862758      8.52071345    -12.88510254
  H     19.02790904     10.16859787    -12.79512516
  O     17.75515466      8.40423653    -15.78378837
  H     14.82817657     11.72786629    -13.39093125
  H     20.11177092     10.12681549    -11.68916951
  O     15.19660332      9.09349401    -14.94769116
  H     15.51368228     10.61404153    -14.20602765
  H     15.86690989      9.20458979    -10.90127656
  O     12.17067661     12.67382656    -15.01506965
  H     14.67468675      6.10152669    -14.18645816
  H     14.82479672      8.49566078    -10.01504736
  O     13.48387429      9.19420972     -8.89271243
  H     16.06216596      5.67608579    -14.69979691
  H     13.93447071     10.94733432     -9.59259990
  O     11.30942586      9.93434049    -15.34798093
  H     11.34821831      9.04352646    -11.16902252
  H     15.14892053     11.54573522    -10.31885713
  O     19.21728374      9.86500077    -11.88838465
  H     10.19618794      8.75936275    -10.19038725
  H     15.82449437      7.45695200    -18.03599457
  O     15.48361759      8.33814927    -10.70187772
  H     18.52377868      5.34181109    -14.22583167
  H     16.03520642      8.95458338    -18.35849912
  O     14.22827750     11.72352562    -10.08435251
  H     17.85903941      6.47183655    -13.40479876
  H     13.43873097     11.87514555    -11.69720321
  O     16.50262624      8.12784836    -18.18639041
  H     14.65782155      6.02743353    -16.53187406
  H     12.76979304     10.86245108    -12.66355888
  O     13.15628356     11.74839072    -12.61423158
  H     14.10829822      5.51275903    -17.88234163
  H     14.85610418     11.01069523    -19.30758065
  O     14.90435396     10.52424030    -18.48866167
  H     17.05867824      7.53302837    -11.40683959
  H     14.85853935     11.18213415    -17.77233774
          69
 Energy    -250.06415867006618     
  O     -0.74651031      4.49232126      3.31973560
  H     -0.38535574      3.66526182      3.66030969
  H     -0.10339531      1.82932046      0.76878752
  O     -2.67809257      6.26204869      0.17146617
  H     -1.55621887      4.27078632      2.83828981
  H     -1.35559181      4.03923385     -2.17916371
  O      4.52355757      5.03080350     -0.45748864
  H     -2.31637487      6.98148387      0.70211562
  H     -1.96902978      2.58703580     -2.09139207
  O      2.88418302      6.65382471      1.12790297
  H     -1.97637772      6.04003420     -0.46087326
  H      1.11467992      7.73617814     -1.79388161
  O     -0.62398665      5.45636432     -1.41061041
  H      5.39406805      5.14726811     -0.82882882
  H      0.99123145      7.93946827     -3.32622077
  O      1.28267074      2.39558904     -0.21200939
  H      3.90391484      4.97486584     -1.20748688
  H     -3.37720003      1.56750540     -0.61291235
  O      0.74141182      4.87227999      0.88217883
  H      3.55425497      6.14616735      0.65167673
  H     -1.95533902      1.15663908     -0.19524505
  O     -1.18256328      8.24389866      1.58408408
  H      3.04062716      6.55886272      2.07679622
  H      3.15035174      3.23723160      2.75526480
  O      0.19646434      7.05671214      3.59694566
  H     -0.11666820      5.26781652     -0.60640154
  H      1.98469956      2.93766077      3.72293202
  O     -2.72094267      3.81843880      1.53484001
  H     -0.11244432      6.08315186     -1.93516281
  H     -3.80316315      5.29286640     -1.11579710
  O      1.09372510      8.33574383     -0.18638059
  H      1.21205017      2.44674636     -1.17169315
  H     -3.44809841      4.23346021     -2.19013145
  O     -0.85894677      1.64106386      1.34744896
  H      1.17254211      3.29487871      0.13664994
  H      0.16761569      1.20577685      4.41112564
  O     -1.71464049      3.30112897     -2.69741324
  H      1.47510465      5.48939881      0.99767704
  H     -0.07375053      1.70129399      2.96802114
  O      1.08642769      7.27299672     -2.65192416
  H      0.30020855      4.77656792      1.73365587
  H      1.14108069      2.05205745     -3.68162648
  O     -2.52070725      1.29300521     -0.96408013
  H     -1.52273207      9.07508963      1.90694891
  H      0.01841468      2.89429939     -3.04043485
  O      2.72336343      3.53543965      3.57279703
  H     -0.68253121      7.84856974      2.32046453
  H      3.53205203      6.38316416      4.58971225
  O     -4.16998984      4.57721607     -1.65032563
  H     -0.21283893      6.17990515      3.64697037
  H      2.85177253      5.22978823      3.81428384
  O      0.32742141      1.93788324      3.82105070
  H      1.13496017      6.90622933      3.75300596
  H      4.10853282      3.49086907      0.59777746
  O      0.97500987      2.72809381     -3.02874205
  H     -2.71775818      4.67690819      1.08742260
  H      2.98293703      2.44568330      0.63271239
  O      2.93502134      6.20011901      3.86977273
  H     -3.50210497      3.35236606      1.21450130
  H     -5.76216338      2.42264466      0.15306866
  O      3.74999936      2.76654245      1.12432119
  H      1.77555196      7.86534262      0.31429171
  H     -4.70948997      3.30664576     -0.55945259
  O     -4.82779680      2.60350251      0.10480288
  H      0.30555227      8.34545968      0.36843948
  H      2.21853033      5.76775650     -2.60917467
  O      2.72022757      4.95461945     -2.47109813
  H     -1.43936350      2.41552431      1.33968419
  H      2.14016040      4.22700275     -2.72295634
          69
 Energy    -250.06389632997912     
  O     15.44922623     10.49655304    -14.59830108
  H     14.63552980     10.05464291    -14.82458564
  H     17.77983888     12.08842297    -15.99859186
  O     17.99826997     13.90432830    -16.06230468
  H     15.86933499      9.96688381    -13.89589064
  H     19.43303019     10.45138305     -9.14274813
  O     21.62313487      9.12531471    -14.73250689
  H     18.75358287     13.80022619    -16.65538376
  H     18.77714179     10.61919722     -7.74904015
  O     19.42461116     13.33886920     -9.97279899
  H     18.33969062     14.38834217    -15.29718891
  H     20.55190464     16.60623271    -11.40477107
  O     20.63426660      9.76997270    -10.19519115
  H     22.43925573      8.63741792    -14.81446725
  H     20.22196925     17.95028130    -12.10075540
  O     16.67932943     10.93175818    -10.57699277
  H     21.85234131      9.98556533    -14.33907723
  H     20.98152529     12.62447157    -10.69060651
  O     20.35428139     10.60392092    -16.86791827
  H     18.73370911     13.40431439    -10.64556113
  H     22.48775031     12.93805462    -10.83669031
  O     21.49410900     14.03237925    -14.91251071
  H     19.17737753     12.61192824     -9.38648218
  H     17.59900469      8.75915982    -12.66552475
  O     20.93914800     15.68859119     -9.98369381
  H     21.20779182     10.49625510    -10.46958818
  H     16.64546267      9.67270247    -11.86384147
  O     21.95028485     11.62166284    -13.65684950
  H     20.31423774      9.34487182    -11.00159489
  H     20.73659341     13.40988534    -18.31022368
  O     15.79632060     13.31082764    -14.12626936
  H     17.31072023     10.88488441     -9.84860037
  H     20.49101293     12.29684409    -17.26393122
  O     17.82896890     11.12807444    -15.88351999
  H     16.83215747     11.78251674    -11.00137469
  H     22.09216730     16.29642516    -12.89665762
  O     18.77139289     10.95977322     -8.63911895
  H     19.41959990     10.60896037    -16.61271668
  H     22.53840730     15.15358135    -13.82501417
  O     20.41068162     17.03139375    -12.27034130
  H     20.79810195     10.01910650    -16.24464227
  H     19.50110474     15.78378697    -13.26627441
  O     21.82419483     12.25241357    -10.98611851
  H     21.25661980     13.83861012    -15.82747004
  H     18.65055860     14.49430197    -13.09731493
  O     16.70466789      9.11463798    -12.65504514
  H     20.68419593     14.33656879    -14.47649331
  H     23.31862926     14.93173850    -11.60794782
  O     20.46496277     13.26012648    -17.40857176
  H     20.36131946     14.92472327     -9.84873952
  H     24.34930650     14.71645097    -10.47285790
  O     22.83551815     15.71402177    -13.09640875
  H     21.83249940     15.33468861    -10.06978497
  H     20.22699139      8.69356250    -13.36526574
  O     19.15485643     15.01319511    -13.73526210
  H     21.98818710     11.82104275    -12.71013286
  H     19.30062339      9.78891088    -12.83544508
  O     23.45730503     14.51209926    -10.73972200
  H     21.93139015     12.46220791    -14.13485408
  H     18.73359489     11.33769070    -14.31394189
  O     19.57999697      8.87389804    -12.67459630
  H     16.27977156     13.60396587    -14.90561290
  H     20.10289398     11.59191941    -13.59981130
  O     19.15341557     11.49650424    -13.45760115
  H     15.57141829     12.38317632    -14.27971731
  H     18.18032389     12.56507952    -12.51161587
  O     17.62439247     13.24718656    -12.09485002
  H     16.97023830     10.82787543    -15.56015356
  H     16.86457379     13.37234926    -12.68266502
          69
 Energy    -250.06377164243858     
  O     11.63146749      9.89338425    -10.87305915
  H     11.98352498     10.46724952    -11.56371447
  H     15.66896527      5.82267652    -16.74250052
  O     13.76082951      7.06979058    -14.63465112
  H     11.16326010      9.18367227    -11.33122822
  H     17.42165364      5.95452337    -15.19977785
  O     17.76134543     10.82448916    -11.07344710
  H     14.50565264      7.63738943    -14.38821230
  H     18.21017733      5.34239002    -16.37722433
  O     17.17808332      8.61621607    -17.17251239
  H     14.01716325      6.57821291    -15.42629267
  H     15.53144271     11.54459979    -15.29622781
  O     11.77367014      8.93275608    -14.56605863
  H     18.20683513     10.82143219    -11.92822765
  H     14.83340943     12.89506933    -15.57139669
  O     16.12490521      6.84849499     -9.66974649
  H     16.81596371     10.71640614    -11.25434128
  H     15.63746006      9.07252648    -12.95495486
  O     13.16176734      6.25486738    -12.09734109
  H     16.34363690      8.55668994    -17.65590688
  H     16.25144480      9.21254493    -14.36939608
  O     15.12651995     10.15066988    -11.62452020
  H     17.36888530      7.72506670    -16.85682384
  H     19.03540770      7.96824750    -11.52217554
  O     14.61335408      8.38404670    -18.36232416
  H     12.46653014      8.26272843    -14.68606831
  H     18.64693392      7.17320454    -12.78547748
  O     15.59075244      4.91502156    -11.45182743
  H     11.17560732      8.55549144    -13.91243365
  H      9.93602800      7.00610486    -12.10745376
  O     17.01456935     10.58135585    -15.32567053
  H     16.89526640      7.42924266     -9.68113042
  H     11.47722378      7.01489548    -12.16841631
  O     14.72659700      5.93297392    -16.92007301
  H     15.34055244      7.41158508     -9.63080021
  H     20.06245397     10.64650839    -13.67437520
  O     17.49689309      5.94055451    -16.16796437
  H     13.87655680      5.66158445    -11.83846456
  H     19.22143685      9.43067029    -13.22529973
  O     14.67073371     11.99697405    -15.29306727
  H     13.34341850      6.48775047    -13.02168280
  H     16.72374073      7.05176531    -13.50876753
  O     15.86937188      8.57800608    -13.75205571
  H     14.72104539      9.51484180    -11.01980825
  H     16.66368169      5.66147984    -12.82172210
  O     19.24791564      7.85315315    -12.45716444
  H     14.40422076     10.55545929    -12.12424971
  H     18.18000526      9.38636439    -10.18311596
  O     10.68714282      7.56511716    -12.29221475
  H     14.07195827      8.97560696    -17.81061436
  H     18.96325301      8.68836252     -9.04676446
  O     19.16509451     10.34359371    -13.55982773
  H     14.34027496      8.52805470    -19.26457067
  H     13.65006151     10.76587255    -16.33823669
  O     17.17318936      6.19334570    -13.44351182
  H     15.83225161      5.56843922    -10.76841231
  H     12.52912735      9.72621002    -16.13526292
  O     18.41057306      8.51880918     -9.80539966
  H     15.71822578      4.05256820    -11.06567638
  H     12.98753231      8.86327279    -10.19354962
  O     13.16969466     10.05431259    -16.77809539
  H     17.80235376     10.58069453    -14.76660803
  H     13.54819304      7.56313502    -10.80714530
  O     13.73948914      8.25403911    -10.15796588
  H     17.15642762      9.95368097    -16.05341223
  H     13.53754765     11.50655132    -13.85467077
  O     13.01890140     11.03967848    -13.18765338
  H     14.65208831      6.69848600    -17.50556187
  H     12.57151136     10.32232058    -13.65923631
          69
 Energy    -250.06376725856481     
  O     17.34914468     12.14687451    -15.17727816
  H     17.41501178     13.09804839    -15.18923378
  H     16.19855120      4.95258407    -15.62878619
  O     15.68085038      6.05368142    -14.20551478
  H     16.43695552     11.92658421    -15.43824533
  H     19.68783028      5.88601196    -12.74419623
  O     17.90856170      8.33760224    -11.29597653
  H     15.96725882      5.82592371    -13.31280798
  H     18.36769771      5.15823025    -12.41843169
  O     19.91994417      6.12464957    -16.86628599
  H     16.31605052      6.72066839    -14.51489377
  H     18.27749601      9.84792647    -17.16974695
  O     17.44368906      6.14228768    -18.39949478
  H     18.80741506      8.12373556    -11.57493174
  H     18.51260641     11.00225203    -16.18917853
  O     13.46129038      9.78152822    -10.56177495
  H     17.61780573      9.04576361    -11.88905926
  H     18.32982790      7.95965798    -15.00198124
  O     13.59814402      7.84951593    -14.48019526
  H     19.76736648      5.31454719    -16.36250322
  H     17.10990315      8.29630479    -15.88841249
  O     17.10989771     10.10880246    -13.25458007
  H     19.17695323      6.19377447    -17.47623221
  H     14.48277932     11.11142259    -14.78784479
  O     19.20950498      3.85859184    -15.30009104
  H     17.38831605      5.65966960    -19.21996179
  H     14.50807533     10.67060699    -16.25631755
  O     12.81047200      7.23628810    -11.72668419
  H     17.10028398      5.55349674    -17.70284927
  H     13.86076503      6.28409337    -10.68954758
  O     20.13429686      8.26411909    -15.18793206
  H     13.03952609     10.29788009     -9.88070146
  H     14.01361052      5.26692344     -9.53315138
  O     16.66818421      4.53947655    -16.36487194
  H     14.26038133      9.38882706    -10.16614300
  H     13.80114685      8.49301444    -16.15769850
  O     19.20743039      5.06261011    -12.88712045
  H     14.28516498      7.17352064    -14.37467331
  H     13.22323570      8.83382576    -17.54646104
  O     18.96882174     10.30135514    -16.67016133
  H     13.88389604      8.64562222    -14.00682642
  H     21.27474686      7.81257201    -12.23760965
  O     17.36581364      8.01145232    -15.00056417
  H     17.17526309      9.36262505    -13.87204105
  H     20.35379098      7.93096270    -13.47170976
  O     14.77648048     11.38483339    -15.66857050
  H     17.31982345     10.89778685    -13.76811970
  H     16.04023936      5.67710026    -11.06625631
  O     14.50030098      5.88182196    -10.07503162
  H     19.64350577      3.01408031    -15.21505252
  H     17.13214324      6.67527953    -11.53705907
  O     14.00047991      8.93142732    -17.00147809
  H     19.21659509      4.26635267    -14.41547439
  H     15.31971524      7.56210071     -9.60091473
  O     20.38187317      7.66020070    -12.53745316
  H     12.87263725      8.12626450    -11.35631550
  H     16.48555471      8.48193620    -10.03048653
  O     16.79064357      5.77807568    -11.66425701
  H     12.89508615      7.33528361    -12.68114783
  H     15.31897043     10.17645787    -13.09581717
  O     15.62892858      8.47684029     -9.58541579
  H     20.19914614      7.52084519    -15.80842203
  H     14.00061216     10.18365994    -12.27054537
  O     14.35331121     10.19677963    -13.16798005
  H     19.87405659      9.04829878    -15.69379603
  H     15.79624329      8.78490007    -17.52680087
  O     16.75630599      8.71719808    -17.60385620
  H     17.49406001      4.20163175    -15.99398713
  H     16.96123314      7.85034096    -17.98347330
          69
 Energy    -250.06326247256601     
  O     16.17520782      8.07236200    -16.53912828
  H     16.31988325      7.22547701    -16.08689571
  H     15.90884372      1.33789893    -16.84343434
  O     13.04595386      5.68561365    -17.51560318
  H     16.79241909      8.68571594    -16.12667957
  H     19.70574290      3.25820207    -14.72032790
  O     18.03880412      5.82144994    -12.94501149
  H     12.19993560      5.76211307    -17.94714296
  H     20.42988398      4.16502681    -15.75901923
  O     20.12679197      5.32168110    -17.27100174
  H     13.12055473      6.44278755    -16.90452698
  H     17.25375155      5.65094685    -14.58939530
  O     17.62373502      4.38683375    -17.73186130
  H     17.65905555      5.00639306    -12.59195396
  H     17.17999590      5.18778181    -16.08273399
  O     13.17355113      7.41480775    -10.43907006
  H     19.00103611      5.75872228    -12.92272972
  H     14.36933257      8.02300810    -16.10355346
  O     14.16053456      4.49855104    -13.04190191
  H     20.66698793      5.30841884    -18.05731658
  H     13.57635867      7.59463111    -14.85650369
  O     16.73932822      8.19590549    -12.74988314
  H     19.25528601      4.97502722    -17.52703013
  H     16.68566837      4.62728544     -8.70289733
  O     18.10874132      2.51338730    -14.34493418
  H     16.94497896      4.94602577    -18.14341077
  H     16.27652876      5.68974437     -9.74861666
  O     13.50909697      4.71759937    -10.31549639
  H     17.22195008      3.54406792    -17.49047043
  H     13.87332837      4.50148555    -16.38367595
  O     19.97663762      7.45190245    -15.34944643
  H     12.41129694      7.73496737     -9.96519248
  H     15.18538580      4.65497073    -15.56754513
  O     16.27629644      2.17589381    -16.57436094
  H     13.18826690      6.44655155    -10.33224843
  H     21.58068053      5.69434784    -12.62548034
  O     20.52382573      3.74841359    -14.89489598
  H     14.17222744      5.46614459    -13.08911476
  H     20.79097329      4.98802744    -13.75850377
  O     16.68965402      5.61903945    -15.37139721
  H     14.07488447      4.18659510    -13.95050659
  H     15.77539301      3.84634162    -12.47684746
  O     13.49925549      7.71736640    -15.81134374
  H     17.22470571      7.35509188    -12.77589800
  H     16.60293166      3.82438245    -11.17597889
  O     16.29155267      4.73345644     -9.56460059
  H     17.14202198      8.74909905    -13.42769802
  H     16.35217528      7.80468558    -10.91991460
  O     14.45441201      4.04484741    -15.76246478
  H     17.59581226      2.73745507    -13.55901210
  H     15.06633413      7.54260139    -10.11705942
  O     20.80828660      5.77205442    -13.17703337
  H     17.47604527      2.32072355    -15.04515298
  H     15.90534646      6.94943471    -18.07241023
  O     16.63630513      3.59184712    -12.11311350
  H     14.38987018      4.59518984     -9.94021057
  H     14.77971492      5.94884742    -18.37129669
  O     16.02110589      7.39889144    -10.10898231
  H     13.59221499      4.48237917    -11.25035667
  H     15.01607433      7.65033095    -13.03253704
  O     15.70047953      6.14974348    -18.57597731
  H     20.01436601      6.80870685    -16.06737960
  H     13.69074387      7.45650062    -12.24793091
  O     14.11807790      7.29482730    -13.09806116
  H     20.33900673      6.99974803    -14.57803307
  H     18.79598749      8.71682061    -15.10665619
  O     18.11444887      9.39664739    -14.95562606
  H     15.53179716      2.73530839    -16.29453028
  H     18.55070467     10.24093854    -15.03325498
          69
 Energy    -250.06262496825315     
  O     18.47376387      4.66042031    -10.93827014
  H     17.61661749      4.31390453    -10.65399182
  H     12.19235331      5.38183557    -12.51238079
  O     16.85257971      9.11478620    -15.58552153
  H     18.68318082      5.36718065    -10.31642515
  H     16.48284848      7.16880223    -11.45650611
  O     13.37719905      7.95885007    -11.19842831
  H     17.36965434      9.51733568    -16.27788271
  H     15.81555114      5.82275670    -11.00111930
  O     15.58591012     10.61545928    -13.48711406
  H     17.46895682      8.59024395    -15.04181684
  H     18.56469382      4.75941999    -12.67888265
  O     17.92993680      8.29165337    -11.34103199
  H     12.68513118      7.29914963    -11.32847699
  H     19.22054413      4.21852160    -13.96913273
  O     18.47271772      7.66759894    -13.99006371
  H     14.21876289      7.48861952    -11.30738643
  H     15.45057627      9.84894641     -9.78749445
  O     12.32092396      4.40879557     -9.73659882
  H     14.68463272     10.27329069    -13.55255539
  H     14.22772570      8.91471062     -9.83027324
  O     12.37393703      5.90717063    -15.93506350
  H     16.07241099     10.20320375    -14.20998046
  H     15.53766719      6.41732454     -8.02530955
  O     18.71265009      6.84713889     -9.09190852
  H     18.31180263      7.91750047    -10.53684999
  H     15.75630292      7.88211490     -8.47486062
  O     10.84515878      7.54944498    -14.08931386
  H     17.56595398      9.16335301    -11.13717635
  H     13.69143901      8.49765124    -14.27083407
  O     14.67469197      7.35897951    -15.44489251
  H     18.36894737      7.94372734    -13.06805681
  H     13.26197329      8.78659127    -12.80478439
  O     11.60732069      5.93461662    -11.97915411
  H     18.57973552      6.71062536    -13.96459233
  H     16.90131606     11.63952784    -10.82073108
  O     15.71645758      6.59271999    -11.57535588
  H     12.70376233      3.70280397    -10.27107239
  H     16.24575049     10.73927504    -11.89373401
  O     18.54925026      4.81610748    -13.65144906
  H     11.90314983      5.00423318    -10.37249604
  H     13.54925293      4.83968971     -8.55879596
  O     14.91086695      9.26487692     -9.24252193
  H     12.19837012      5.77367788    -16.86333262
  H     14.09028202      4.58828044     -7.13514309
  O     16.21440019      7.08863020     -8.15807098
  H     13.16730040      6.46639613    -15.87957509
  H     16.71702903      5.01609000    -14.01179634
  O     13.21007265      9.12286432    -13.71288096
  H     19.33175760      6.97071016     -8.37818161
  H     15.74852070      5.82472193    -13.12747761
  O     16.64114242     10.74068746    -11.00312938
  H     17.81909805      6.90942259     -8.70379365
  H     15.19673330      3.57052746    -10.70481750
  O     14.33313692      4.93561572     -7.98961486
  H     11.18785430      6.99691342    -14.80161934
  H     15.42064604      4.32166507     -9.36830347
  O     15.80305179      5.31437715    -13.95252598
  H     11.49015551      8.26282171    -13.99355131
  H     13.51889873      3.19042901    -12.38024799
  O     15.83127557      4.10959288    -10.21701257
  H     15.11720407      6.63721321    -14.97472210
  H     13.62623391      1.77705040    -11.76784178
  O     13.74777203      2.70295353    -11.57185209
  H     15.36387547      8.00611917    -15.64093500
  H     14.18327395      4.59252771    -13.81643373
  O     13.25196315      4.33491417    -13.73121387
  H     11.14915230      6.50487692    -12.61342705
  H     12.81089916      4.69879977    -14.50781350
          69
 Energy    -250.06217528266188     
  O     14.39602242     15.04575420    -11.52502665
  H     14.04199558     14.20123249    -11.19491270
  H     12.64963383     12.04220488    -15.28397554
  O     15.43386062      9.82129043    -17.89629660
  H     14.12537957     15.71426538    -10.90086604
  H     15.88179362     12.93044779    -17.22686356
  O     14.64313105      9.20893080    -11.69552836
  H     15.32351717     10.78620076    -17.81052878
  H     14.33312825     12.89457709    -17.18381509
  O     17.22751309     14.97393777    -12.23390841
  H     15.61601021      9.64686357    -18.81540131
  H     13.34436061     14.20707038    -15.54003671
  O     13.59845467      9.00029465    -15.96717772
  H     15.27814049      9.87504725    -11.40526398
  H     12.22214019     14.25213801    -16.60330342
  O     13.14997442      6.86326822    -11.25337645
  H     13.80571265      9.67715291    -11.82584311
  H     19.52433393     12.29970848    -11.87913412
  O     13.88793456      5.60041389    -13.54571464
  H     16.34932116     14.89288775    -11.84439843
  H     18.42038847     12.13896162    -12.95149174
  O     15.18304983     12.28550125    -13.76194462
  H     17.69364512     14.14273835    -12.08266166
  H     14.44353601     12.22304040    -10.57204057
  O     12.24342203     10.59963067    -12.08183041
  H     14.21336401      8.65133282    -15.30406918
  H     12.98733768     11.99932896    -11.02589294
  O     15.35365082      7.95885449    -14.07803405
  H     14.13539227      9.22552690    -16.73725752
  H     16.72792397      9.40418151    -16.51792560
  O     17.76268910     11.62775373    -14.50638864
  H     12.28491744      7.24828434    -11.44135000
  H     16.71532482      8.70990803    -15.14180757
  O     12.75523292     11.28403109    -14.69710345
  H     13.76263213      7.61123685    -11.22140579
  H     12.45621984      6.57780428    -14.39383136
  O     15.10278915     12.46682361    -17.57009277
  H     13.63928085      5.94699458    -12.66953137
  H     12.28383837      7.84889148    -15.24430669
  O     12.85482005     13.67184376    -16.18749363
  H     14.05808209      4.66900568    -13.43739018
  H     17.15839624     15.64930368    -13.82820284
  O     18.60364345     12.47310233    -12.05519019
  H     15.03455558     13.21908276    -13.95054110
  H     17.40497942     16.80380909    -14.83167945
  O     13.57180424     12.64092577    -10.60271857
  H     14.39972540     11.82078871    -14.08145637
  H     17.00292880     11.75919032    -11.28516039
  O     17.26567792      9.23956139    -15.73392246
  H     12.31945458     10.88834694    -13.00372174
  H     15.69989895     11.80117515    -12.09903622
  O     11.81301172      7.25116045    -14.64944490
  H     11.64359742      9.84316239    -12.07615252
  H     15.21739597     15.39936794    -14.56120663
  O     16.96648696     15.96356396    -14.73063652
  H     15.17950208      8.42400172    -13.24742542
  H     14.27684015     15.08437968    -13.36041864
  O     16.06786457     11.53531774    -11.23983441
  H     14.99922262      7.06755696    -13.97118277
  H      9.89255660      7.95171887    -12.21644075
  O     14.38890454     14.96680292    -14.31405537
  H     17.74350211     10.76448469    -14.94429409
  H     11.10491840      7.87835813    -13.17454000
  O     10.81330172      8.18567945    -12.29717651
  H     16.83804264     11.84495864    -14.31286600
  H     17.27450885     14.48182868    -15.90430748
  O     17.30535574     13.66619018    -16.41618988
  H     12.98294092     10.50809213    -15.22965018
  H     17.64006330     12.98497384    -15.81815696
          69
 Energy    -250.06193562683882     
  O     12.93622599     11.88032228    -14.89324691
  H     13.77954021     12.26550705    -14.63038088
  H     13.77877604      6.56374423    -16.96503071
  O     14.79771649      6.35500203    -14.00730154
  H     13.12622295     11.30059695    -15.64492486
  H     19.96064418      5.71896538    -13.17095842
  O     16.90988509      8.73635970    -10.81280780
  H     14.97788825      7.25226894    -14.32669600
  H     19.13316550      6.72020285    -14.01119964
  O     19.27461298     10.36534468    -14.65891523
  H     14.02697366      6.42982817    -13.42954597
  H     17.87190414     11.14230836    -15.62958263
  O     12.18456347      7.62551573    -16.97266756
  H     16.85078998      7.86506316    -11.22911660
  H     16.60472331     12.00999098    -15.49029906
  O     14.61036735      8.49242642     -9.30290583
  H     16.21750697      8.75463936    -10.13751816
  H     16.06130139      8.54761094    -15.57602593
  O     12.78644113      6.84535183    -12.14204202
  H     19.23481665      9.98997865    -13.76180709
  H     14.71737205      9.29151684    -15.46307502
  O     15.64071564     10.34574296    -12.66579742
  H     20.12612385     10.79136112    -14.73070463
  H     11.81822542     11.08130401    -13.86013937
  O     16.80691060      7.77746041    -17.12621341
  H     11.88865081      7.68964842    -16.04614022
  H     10.44078090     11.06960003    -13.15245113
  O     14.57732183      5.73422735    -10.22318597
  H     11.42745879      7.35044097    -17.48300116
  H     17.57375194      6.11671126    -12.33829099
  O     19.00322072      7.62585445    -15.47148802
  H     14.51486284      7.54416795     -9.45428021
  H     16.07931747      6.18228913    -12.75826568
  O     14.62627185      6.12177829    -16.83287785
  H     13.99814323      8.91900386     -9.91729620
  H     11.27908558      8.81785214    -14.05888956
  O     19.22963249      6.32909252    -13.12310459
  H     12.92597610      7.77970591    -11.92290407
  H     11.74990401      7.41039637    -13.64575976
  O     17.15710730     11.55135127    -16.13424687
  H     13.21890387      6.34419926    -11.44080566
  H     18.54729361      9.10683738    -11.62152714
  O     15.41391728      8.87535411    -14.93897204
  H     15.62721632      9.80502083    -13.47145147
  H     19.39950095      8.14963543    -12.46477064
  O     11.23200661     10.55511106    -13.28628096
  H     16.16115599      9.86857774    -12.00702258
  H     16.46461006     10.76725625    -17.51087401
  O     16.67419294      6.17868464    -11.99320513
  H     16.57525892      8.53706493    -17.67315033
  H     16.28181695     10.71174123    -19.04832764
  O     11.42106785      7.92364278    -14.39352860
  H     16.07208352      7.14507977    -17.15513620
  H     12.45806605      9.95028428    -12.02711615
  O     19.27442445      9.08371901    -12.25721193
  H     15.37365195      5.80472576    -10.77514363
  H     14.00321195      9.87965319    -11.94610103
  O     16.04048261     10.27282931    -18.23744462
  H     14.66243298      4.92521528     -9.72462473
  H     15.78381988     13.44567386    -13.52438281
  O     13.18930844      9.53949206    -11.54964511
  H     18.30250989      7.57097923    -16.13549804
  H     15.61900809     11.90890446    -13.45996153
  O     15.54938474     12.68263810    -14.04672578
  H     19.14153716      8.56610705    -15.30699916
  H     13.12916480      9.21042918    -17.00761923
  O     13.63879238     10.00549216    -16.80317672
  H     14.67605239      5.95030764    -15.88305519
  H     14.36417802     10.08333299    -17.43619580
          69
 Energy    -250.06159480508063     
  O      2.84787162     -0.81391917      0.49312722
  H      2.98590521      0.11571411      0.70966464
  H      7.22063802     -1.81441842     -2.65963067
  O      8.61061407      3.39775949      1.40879364
  H      2.53122001     -0.80868860     -0.42500074
  H      4.11557613     -1.46746834     -5.08081719
  O      6.44010171     -3.19769842      1.73778785
  H      9.47725715      3.53581054      1.78312455
  H      5.06279950     -1.40909073     -3.85844717
  O      5.03851814      1.64562250     -3.63845390
  H      8.33260808      2.50351649      1.66894546
  H      4.28477393      4.85591774     -0.72482887
  O      8.77423012     -0.93741445     -1.85561015
  H      6.75515041     -4.06235245      1.98591282
  H      4.42088977      3.67051876      0.25991426
  O      3.73306019      1.94482757      0.66136085
  H      7.22084707     -2.66896669      1.49228846
  H      2.99232261      5.86556550     -2.76976022
  O      7.41156536      1.40367560     -2.26027060
  H      4.80931136      0.78637453     -4.01460918
  H      4.23589648      4.94433082     -2.85593655
  O      2.34810381     -0.45190392     -2.19203431
  H      4.31367513      1.87501580     -3.03961706
  H      5.70787349     -0.40994732     -0.22360230
  O      5.77647530      4.38376509     -3.49857079
  H      8.37797207     -0.06817173     -2.03681826
  H      6.41838717      0.82205732     -0.86048668
  O      4.39147336      2.62931237      3.17743853
  H      9.61606110     -0.95162867     -2.30546932
  H      5.09330442     -2.12723609      2.52942664
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  H      4.52520738      1.45201574      0.39273286
  H      3.80261475     -1.35344935      2.15949870
  O      6.33444923     -2.09616351     -2.90689534
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  H      7.90959084      3.80231990     -0.29598474
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  H      7.50407394      2.28769251     -1.87695156
  H      6.46550069      4.10522728     -0.72893937
  O      4.83196006      4.50017591     -0.01455714
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  H      8.36468467     -0.73498450      1.38039732
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  H      2.94724403     -0.73164021     -2.89318526
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  H      5.59978541      3.46547328     -3.74546627
  H      3.06335151      2.21839527     -1.03197243
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  H      6.47430515      4.35113738     -2.83414708
  H      5.50986539     -2.63787327      0.26180171
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  H      5.01586372      3.36291789      3.07706883
  H      4.24806720     -1.80943177     -0.14684128
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  H      4.86991168      1.92572182      3.62979600
  H      5.72358955      4.82911572      1.65215427
  O      5.09901504     -2.14514772     -0.45994309
  H      7.14051924      0.76854875      2.85665625
  H      7.05808516      4.30705430      2.20072757
  O      6.19598898      4.63984955      2.47381642
  H      7.01342202      0.78092281      1.31269502
  H      5.33313648     -0.26444529      3.74771764
  O      5.88660629      0.41175094      4.17859427
  H      5.86226382     -2.22565258     -2.06986361
  H      5.92984799      0.18400200      5.10346102
          69
 Energy    -250.06100209205783     
  O      4.00745073      1.06101118     -0.21727559
  H      3.46570264      0.27083865     -0.37053784
  H     -0.69745594      5.37747345     -1.84432790
  O     -0.92728769      1.88231237     -2.34284218
  H      3.98133643      1.55251848     -1.04652741
  H      0.72162994     -2.75246912     -3.16673057
  O      0.14866107      0.60434413     -0.09346292
  H     -0.91346208      2.81680558     -2.09780804
  H     -0.23107287     -1.91843896     -2.28277269
  O     -1.86258125     -1.73670359     -1.65353689
  H     -1.82925103      1.55137528     -2.24256520
  H      1.67673861     -2.49491692      2.32185104
  O     -3.46765649      1.52964663      0.76803429
  H     -0.19628276      1.03576741     -0.88438267
  H      2.10602163     -1.07012064      2.71075049
  O     -3.38615168      0.68173594     -1.78487455
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  H     -1.45332669      4.09172867      0.17959097
  O      0.23696524      2.11013178      2.15259037
  H     -1.82632637     -1.82142240     -0.69146484
  H     -1.09621310      3.36391026      1.48741384
  O      4.80402997     -0.26399318      2.15437436
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  H     -3.00721656      2.38133146      0.81898305
  H     -0.48973069     -2.70632622      1.98616525
  O      3.36159190      2.38271645     -2.60708315
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  H     -0.39017653     -4.16933086      2.48010458
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  H     -1.69804161     -0.15466334      3.71516937
  O      0.69549713     -2.01306209     -2.56488648
  H      0.12561256      1.57030541      1.35192846
  H     -1.43485340      1.12092972      2.88909231
  O      2.34561828     -1.82119674      2.14821638
  H      1.10171384      2.53110192      2.04712010
  H      1.21238520     -0.22313041     -3.20124149
  O     -1.83313284      3.74562349      0.99625866
  H      4.14846419     -0.97168073      2.15056453
  H      0.52594457      1.15396556     -3.15977042
  O      2.87024383      2.86284851      1.61365702
  H      4.73167158      0.17159378      1.29392786
  H     -0.40082719     -2.08835814      4.10024007
  O      0.00602977     -3.30662072      2.57003739
  H      4.45353097      0.98059716      3.33883747
  H      0.23594363     -0.76482744      4.54267694
  O     -2.08012559      0.42046588      3.03446093
  H      4.75896063      1.88336264      4.56049199
  H      2.28993193     -1.47987051      0.36499369
  O      1.36119831      0.71247637     -3.37248764
  H      1.09063813      0.92073633      3.29820705
  H      1.84318369     -1.58036578     -1.15456349
  O     -0.57459461     -1.28848488      4.60883456
  H      2.44128395      0.77783942      4.03575705
  H      2.30721100      3.85769006      0.07194769
  O      2.33459403     -1.06111540     -0.50689446
  H      2.67364717      1.76410777     -2.91170661
  H      2.47710725      3.58164505     -1.44024507
  O      1.98602250      4.11299558     -0.80073496
  H      3.85841286      2.64239459     -3.37834348
  H     -1.74815336     -0.90469463      1.76661792
  O     -1.31944296     -1.42593583      1.07561183
  H      0.34117919      4.42141057     -1.20774604
  H     -0.78383894     -0.78165134      0.58870265
          69
 Energy    -250.06092212490063     
  O     13.12959745      0.81862581     -9.81354015
  H     12.26299845      1.07828267    -10.15660945
  H      9.13151493      2.66741610    -13.27919938
  O     10.84960507      1.95253833    -10.98541182
  H     13.34864712      1.44649322     -9.11430722
  H     10.21885487      7.05172291    -12.17051350
  O     10.31552857      5.87617199    -15.79308924
  H     10.72773042      2.71478514    -10.40355440
  H     10.58277741      8.52672970    -12.46191070
  O     15.83637354      3.28640324    -10.15924149
  H     10.03128820      1.89733634    -11.49899119
  H     10.50022290      4.77350819    -12.80415728
  O     10.38999466      4.35225390     -9.66875946
  H     11.08384289      6.35873932    -15.43779764
  H     11.80809286      5.45460273    -12.35577551
  O     12.74628690      2.57125531    -13.00182101
  H     10.30170572      6.03746883    -16.73259121
  H     14.23126721      2.72097320     -7.04252880
  O     13.51457499      5.24741760    -12.94489402
  H     15.63388564      2.60049333    -10.80644755
  H     13.53646455      3.68185610     -8.02928261
  O     13.40014204      8.25641779    -10.63576648
  H     15.33685956      3.05217998     -9.36680532
  H     12.45158703      6.12848748     -8.20110516
  O      8.22037295      6.45994356    -13.89006652
  H     10.57834260      4.75186399    -10.53415912
  H     11.83871618      4.84720230     -8.79916976
  O      7.00667892      4.78307374    -12.13440531
  H      9.48237609      4.59680119     -9.45834149
  H     14.28308621      0.92991161    -11.11535366
  O     12.25077914      9.26574703    -12.86469495
  H     13.53333408      2.05764389    -12.78258289
  H     15.35457688      0.34784092    -12.07010328
  O      8.59433906      2.35496783    -12.53547930
  H     12.10038719      2.37593663    -12.30692189
  H     10.45143576      4.23994366    -14.92425247
  O      9.85644845      7.95247244    -12.19130136
  H     13.97113917      5.41919084    -12.11021464
  H     11.28690122      3.18446825    -14.10922508
  O     10.86770306      5.37503671    -12.14523713
  H     13.35996022      4.29418607    -13.00124727
  H     15.16976146      4.94208510    -10.39308063
  O     14.00625123      2.83492779     -7.96303424
  H     12.87860384      8.21562071     -9.82542364
  H     13.89873926      5.54136763     -9.75691322
  O     12.64834851      5.20572850     -8.40369171
  H     13.96818739      7.47563870    -10.62408811
  H      7.01958547      5.15722658     -8.95686435
  O     14.88312669      1.14748407    -11.85276918
  H      8.65741558      7.14281414    -13.36210559
  H      7.47937850      5.17232267    -10.43097681
  O     10.39922781      3.52831242    -14.27387858
  H      8.83372274      6.25299431    -14.60443674
  H     11.78483507      8.54542621     -7.57517851
  O     14.56975829      5.70131489    -10.43358084
  H      7.43827381      5.36814755    -12.78209016
  H     10.93483883      7.83939648     -8.65735756
  O      7.76323024      5.35604803     -9.52088323
  H      6.11968477      4.63981486    -12.45667530
  H     12.97123738      6.46909398    -14.20215492
  O     11.82538447      7.88873348     -8.26541538
  H     12.54373641     10.16491274    -12.98437178
  H     12.41827455      7.90727706    -14.18233515
  O     12.46737651      7.11050900    -14.72317959
  H     12.70749308      8.92532965    -12.07383108
  H      9.48673740      7.94835128    -10.39325805
  O      9.39182242      7.74965577     -9.45078476
  H      8.00934820      3.09006191    -12.32618068
  H      8.78535400      7.00331448     -9.40096735
          69
 Energy    -250.06069034183679     
  O     10.08980435      7.14022028    -10.62284067
  H     10.90765040      7.64785717    -10.70104406
  H     11.73933529      8.08585358    -13.80404904
  O     12.46326611      8.58079121    -10.89153430
  H      9.37076327      7.78074672    -10.57233238
  H     11.49190024      4.25480812    -11.29823155
  O     12.66929351      6.40244752    -14.00197554
  H     13.01346664      7.80084685    -11.04536739
  H     11.36146119      4.40807284     -9.77943269
  O      9.69955487     10.28817912     -8.44641469
  H     12.46999735      8.76061201     -9.94145835
  H     13.76205467      4.87119908     -7.00749173
  O      6.12696833      5.44215974    -11.14163490
  H     13.23351794      6.07099713    -14.69602526
  H     13.93884690      4.91631412     -5.47075608
  O      6.52214270      6.94325386     -7.11587431
  H     13.16856838      6.32075236    -13.17180582
  H      8.27484226      9.51512966    -14.05238227
  O     14.10758888      4.09728593     -8.54744683
  H      9.20223428      9.97430239     -9.22067663
  H      9.55361985      8.94306888    -13.39741372
  O     13.74848042      6.16012986    -11.47581142
  H      9.47483845     11.20873485     -8.33419492
  H     10.78050256      6.05902761     -7.45833304
  O     10.44970498      5.23234748    -12.64203916
  H      5.41169539      4.95116220    -11.53791404
  H     11.97032478      6.22679347     -6.47577080
  O      7.36789275      4.68990171     -8.66023035
  H      6.73028088      5.68274889    -11.86584288
  H      9.13891433      4.83804252     -8.67995265
  O     15.81419704      6.15727541     -9.63600465
  H      7.35428135      7.40111814     -6.90149806
  H     10.03956491      5.87416768     -9.39909541
  O     11.29545409      8.85299677    -13.42429917
  H      5.98971960      6.96044958     -6.32527654
  H      8.67778077      5.71890201    -13.10285607
  O     12.00112411      4.20569238    -10.47980572
  H     14.77743302      4.65353564     -8.96369061
  H      8.04190199      7.11811534    -13.23961430
  O     13.62928516      5.42334833     -6.21635036
  H     13.42054898      3.95782326     -9.21094865
  H      9.65143454      7.67902857     -6.53697480
  O      8.58221213      8.96809069    -13.33402899
  H     13.15870396      5.49681910    -11.08871208
  H      9.09896670      8.97370356     -7.16826494
  O     11.18972182      6.67037297     -6.82634107
  H     14.55587850      6.16735993    -10.94616207
  H     11.83169233      8.11901319     -7.71751659
  O     10.05612396      5.13134401     -8.77489007
  H     11.12220244      5.58613241    -13.23648314
  H     11.40603592      9.51071085     -8.22808288
  O      7.83159677      6.18385659    -13.12489270
  H     10.28956180      5.91302799    -11.96813821
  H      6.13794389      7.63780477     -8.81743810
  O      8.85578173      8.22183490     -6.61667986
  H      7.03831477      5.38475339     -8.07587855
  H      5.99407187      7.08986797    -10.24994998
  O     12.16141522      8.91312518     -8.16468847
  H      6.95927888      4.85317983     -9.51932859
  H      7.44047602      8.84301744    -10.27681200
  O      6.07508820      7.90777476     -9.74260628
  H     15.45437298      6.75727544     -8.95735334
  H      8.29580747      9.28451041    -11.51605787
  O      8.27450328      9.25777166    -10.55184353
  H     16.76229359      6.25167748     -9.61434619
  H     13.92150560      8.24264579     -7.82119757
  O     14.66957936      7.64789838     -7.68761404
  H     11.71101755      8.97672912    -12.55979835
  H     14.36972943      6.97826197     -7.05905543
          69
 Energy    -250.06055863842792     
  O     -1.89634769      3.22175653      4.48027985
  H     -1.91056394      2.43664559      3.91453321
  H     -1.24288341     -0.89936981     -2.48994505
  O     -0.55754375     -2.25377806      0.40608228
  H     -2.59319504      3.79258985      4.13773777
  H      3.06083930      1.37013731      3.94892448
  O     -3.82161967      4.50677128     -1.69194994
  H     -1.51211642     -2.12487365      0.34641847
  H      2.35345528      2.03842546      2.74646907
  O     -3.50438921      0.96103200      0.37356282
  H     -0.22760578     -1.64235689      1.07742456
  H     -0.68341906      6.21816098      2.20598652
  O      0.89186317      5.60275190     -1.91253145
  H     -4.57740491      4.88015611     -2.13829273
  H     -1.58316312      6.17013085      0.90814845
  O     -0.53379104      3.39362196      1.15733487
  H     -4.12914551      4.22685741     -0.80988166
  H     -1.01902345      0.69259160      2.33379139
  O     -3.30469213     -1.75948809     -0.28603484
  H     -3.14254038      1.31826469     -0.44986461
  H     -2.42012527      1.12006804      1.79464322
  O      0.55760952     -0.11876935      1.89690741
  H     -3.57678637      0.00718520      0.24605716
  H      1.22042591      3.14353497      4.22082193
  O      1.44851835      0.83183944     -0.63144451
  H      1.39131613      6.09431373     -2.55867839
  H     -0.18085717      3.74869549      4.45123379
  O      2.20329912      2.84473470      1.16142136
  H      1.39098913      5.64902759     -1.07693081
  H     -3.05561918      2.82946552     -2.08798268
  O     -4.57205782      3.56750948      0.72494514
  H     -0.98504666      2.70925652      1.66735034
  H     -1.61379147      2.31534493     -1.95383635
  O     -2.19298468     -0.74050048     -2.54148087
  H     -0.89857138      4.24518490      1.42238066
  H      1.34453981      6.95402856      3.54665330
  O      2.20249529      1.53554850      3.56555553
  H     -2.96459851     -1.46146607     -1.15014530
  H      0.96293322      5.45809718      3.45233566
  O     -1.53713843      5.94326543      1.85078828
  H     -3.95225873     -2.43700851     -0.46151960
  H     -2.96792886      5.36580280      2.66585631
  O     -1.76697108      1.28430607      2.48861511
  H      0.85863717      0.22311900      1.04242666
  H     -4.25544541      5.61801942      3.48606387
  O      0.75169959      3.97752597      4.31335800
  H      1.11965709      0.28397626      2.56963536
  H     -0.29759990      3.15801798     -0.56647919
  O     -2.53036292      2.02053029     -2.05832603
  H      1.26217670      0.04358765     -1.15592127
  H      0.32505965      3.83046715     -1.81182603
  O      1.02295378      6.28859677      2.94424915
  H      0.94462728      1.55339720     -1.03689914
  H      0.98576281     -2.18571193     -2.39744147
  O     -3.73266641      4.92964836      3.08216019
  H      1.27494136      3.11358803      1.26360986
  H      0.17822671     -1.84299501     -1.12140923
  O     -0.03727028      2.99744364     -1.48915413
  H      2.20186816      2.15272884      0.48716381
  H      1.85145651      5.92045586      1.28017089
  O      0.53801047     -1.47327884     -1.94873749
  H     -4.34024671      2.63106712      0.76216784
  H      2.43941936      4.64914024      0.65341609
  O      2.21533079      5.56846172      0.45838283
  H     -4.33797799      3.95595616      1.57620569
  H     -2.36142665      5.65754443     -1.21472376
  O     -1.68906199      6.23995092     -0.84017021
  H     -2.32100434      0.21780663     -2.53315930
  H     -0.86331065      6.05949655     -1.30454853
          69
 Energy    -250.05925879798039     
  O     14.65491425      9.84227020    -10.50548740
  H     14.53440252     10.39538817    -11.28933732
  H     12.37293150      7.73807634    -10.45016557
  O     13.08339100     10.38174803    -16.31802244
  H     15.42643471     10.14330959    -10.00867853
  H     18.57579381      7.73971516    -15.20426034
  O     16.97290526     10.88413912    -13.76041907
  H     13.91905655     10.20529370    -16.76665285
  H     19.97801284      7.09311178    -15.25232066
  O     16.78741240      7.55476199     -8.48998016
  H     12.96262012      9.68437280    -15.65991087
  H     12.69264776     13.33503201    -15.09036338
  O     16.10730693     12.48594787    -15.90566535
  H     16.05294872     10.84608837    -13.46773415
  H     13.20148201     11.93143541    -15.50547928
  O     15.84709361      7.71705782    -11.91636914
  H     17.53010704     10.81451146    -12.97173390
  H     13.86208697      8.07185844    -14.42071844
  O     14.25976112     10.87324937    -13.02388968
  H     17.33722861      6.91490092     -8.96544538
  H     12.66250614      8.01708464    -13.46032343
  O     18.64031079      7.68017136    -12.07110795
  H     15.93317559      7.12938550     -8.36285532
  H     15.82601424     10.55019817    -18.44616321
  O     18.42300722     10.41186231    -11.49419522
  H     16.55557692     12.08934124    -15.14528816
  H     15.89350722     11.15751905    -17.02363846
  O     17.14498680      5.07470637    -14.18049624
  H     15.23703973     12.75721247    -15.58827772
  H     11.55124439      6.08366533    -12.24939052
  O     16.72362389      3.93660930    -11.75179341
  H     15.45770584      6.91745198    -11.54096920
  H     13.02740101      6.20161074    -11.81904856
  O     12.69828542      8.10787362     -9.62190381
  H     15.47858605      8.46162264    -11.42580830
  H     13.62696282      6.94141773     -8.72849180
  O     19.13517064      7.05102736    -14.80740791
  H     13.93751832     11.61544656    -13.54921748
  H     13.83700928      5.92956457     -7.57350302
  O     13.40981662     12.71909075    -14.96994049
  H     13.83085878     10.07871055    -13.37299081
  H     15.19564637      4.80315066    -11.24080729
  O     13.07948419      8.56729291    -14.13277566
  H     18.88530371      7.45004392    -12.97412234
  H     14.45215558      5.56093103    -10.08571368
  O     15.73132932     10.33508268    -17.52176379
  H     17.67086576      7.69174344    -12.03189921
  H     18.56286850      6.39459959    -10.72017595
  O     12.25693777      6.71318622    -12.11689128
  H     18.00539124     10.41977361    -10.62512069
  H     17.77719807      5.08447474    -10.56174237
  O     14.22219945      6.25038984     -8.38426675
  H     18.67824792      9.49199297    -11.65008900
  H     15.58956123      7.46086302    -13.64238175
  O     14.48240222      5.42438057    -11.04304042
  H     16.41822888      5.66600481    -14.41709694
  H     16.06899980      7.83926653    -15.06667712
  O     18.22766398      5.77186555    -10.05981556
  H     17.94059771      5.56887155    -14.40962705
  H     17.22710711     10.65126075     -8.22871367
  O     15.44276140      7.28251934    -14.58631464
  H     16.90808706      4.30586665    -12.63392074
  H     16.96196775      9.24140579     -8.80889379
  O     16.99187760     10.19113894     -9.02966451
  H     16.93876314      3.00854096    -11.79342300
  H     16.89409004      9.34172735    -16.44569358
  O     17.36965679      8.97421798    -15.69095471
  H     13.32673505      8.80249879     -9.87136033
  H     17.31181868      9.63430885    -14.98139915
          69
 Energy    -250.05896136945904     
  O     18.46001785      9.22951840    -11.06142953
  H     18.70531937     10.09938934    -10.72075490
  H     19.30784138      4.36233639    -11.62503225
  O     18.86156524     11.73804218     -9.89560340
  H     19.02697242      8.55945587    -10.65507630
  H     15.13509313      5.99203624    -10.61028343
  O     12.68690653      8.86830354     -9.40130471
  H     19.24688834     12.55016294    -10.21280380
  H     15.60766342      7.09017869     -9.63450431
  O     16.79252684      8.26776317    -13.05985907
  H     17.96112575     11.95356362     -9.58812434
  H     21.41321303      5.75749982    -12.30599908
  O     19.77376657      7.11015092     -9.84126282
  H     12.66616616      8.40072902    -10.25109610
  H     20.32876846      6.31233537    -11.35664072
  O     20.46092238      8.08016868     -7.31281609
  H     12.89785502      8.21323021     -8.72965085
  H     16.34429953     10.01530850     -6.36322865
  O     17.83987793      5.28265399     -9.03179970
  H     17.33509617      7.64163652    -13.56191289
  H     16.36421259     11.26809736     -5.45866347
  O     12.93119374      7.81520190    -11.97545434
  H     17.37757501      8.65536988    -12.39432358
  H     19.12322679      6.15364905    -13.51421182
  O     16.40411049     12.18273296     -8.89095304
  H     20.13690124      7.43433087     -9.00750342
  H     17.83821862      5.45732429    -13.99485153
  O     14.61098501      9.94597883    -12.99798654
  H     19.06941664      6.48566890     -9.60921492
  H     15.61088415      9.40626439     -9.73174717
  O     14.47849715     10.71543764    -10.26718109
  H     20.05981400      8.96808879     -7.30313191
  H     17.05824581      8.89779706     -9.97372341
  O     18.56579177      3.82658624    -11.31968793
  H     21.24665096      8.12584024     -6.77484202
  H     18.43877577     10.67685797     -6.92547657
  O     15.28719840      6.17476378     -9.67426154
  H     16.92425111      5.49256408     -9.25930430
  H     19.23702737     10.95529203     -8.21495997
  O     20.46968164      5.80292628    -12.17125629
  H     17.96048708      5.55288284     -8.10948485
  H     13.12604225      6.09923654     -7.21254573
  O     16.66346212     10.93085971     -6.29937685
  H     13.34561711      8.57469992    -12.40221707
  H     14.17428074      6.44286499     -8.29438923
  O     18.35514556      6.26722337    -14.08748912
  H     13.51702127      7.07384296    -12.17166612
  H     15.57444366      5.28082034    -12.77908132
  O     16.25332245      8.73310412     -9.47022233
  H     15.65803057     11.78937817     -9.36538144
  H     15.68516314      6.81559394    -12.60578146
  O     19.27519372     10.49239742     -7.36936101
  H     16.37753686     11.83129636     -7.99326453
  H     18.94317392      7.04225160     -6.71153278
  O     13.66613564      6.80937388     -7.55021531
  H     15.39275573      9.37698246    -13.09636382
  H     17.41146183      7.12782386     -6.52909027
  O     15.12200137      6.05202906    -12.41603127
  H     14.50219827     10.40531095    -13.82709974
  H     16.15483776      8.50931796     -7.72507983
  O     18.14869861      6.50775871     -6.59445275
  H     14.49081737     10.57968139    -11.22256635
  H     15.11005956      7.84494526     -6.81319069
  O     15.94086988      8.33427281     -6.79350592
  H     13.74964193     10.18363136     -9.90736654
  H     16.64228916      3.12638893    -13.75061783
  O     16.77107924      3.97899261    -13.34446102
  H     18.32053885      4.18413264    -10.45538481
  H     17.37684861      3.84537343    -12.59325474
          69
 Energy    -250.05891867155145     
  O     -0.09925098      2.88421709     -2.66593261
  H     -0.10241929      3.29190008     -3.52764755
  H     -2.44855047      4.39743291      4.75148273
  O      1.27348627      4.37059269     -0.88027432
  H      0.34786918      3.50415756     -2.06052587
  H     -1.91045840     -0.16947814      2.54813257
  O      3.11051868     -0.10180609      2.33484166
  H      2.12603660      3.92206609     -0.81876863
  H     -3.23740478      0.50554284      3.01175718
  O      0.93314785      1.28470901      1.28097182
  H      0.88155358      4.34300834      0.00367932
  H      0.11393495      0.10122661      2.30001739
  O     -2.42985048      2.14558945     -1.23900012
  H      2.40907888      0.48077770      2.00322213
  H      0.29709331     -1.38118429      2.66306733
  O     -2.50596581      2.87830305      1.37477488
  H      2.79892372     -0.99396925      2.14871805
  H      3.15971260      0.43958747      4.13599190
  O      1.50892568      0.92065718     -1.44788195
  H      0.68882545      2.21182446      1.38477398
  H      3.34031517      1.81014290      4.80824363
  O     -2.36522931     -0.60562015     -0.37623029
  H      1.03406770      1.11880484      0.33562389
  H     -3.37926095      3.77269943      2.64402623
  O      3.61570399      2.71444377     -0.85554042
  H     -1.67128056      2.39082815     -1.78272116
  H     -4.49870522      4.71041082      3.14823796
  O      4.34032675      2.33682827      1.71978457
  H     -2.37316285      1.19277928     -1.09645364
  H      0.56791210      2.66939492      4.51419450
  O      0.36951647     -1.49445558     -0.57155750
  H     -2.55307204      2.77504066      0.41248331
  H     -0.11135611      4.04248581      4.69697441
  O     -1.72548021      4.36322116      5.39015422
  H     -2.54093469      1.98233262      1.73569174
  H      1.30015872      0.85921149      5.24807669
  O     -2.74781335      0.20098207      2.23357364
  H      2.31983467      1.42742420     -1.30559442
  H      0.09731109      0.32866791      4.42264897
  O     -0.21473943     -0.59734339      2.89072190
  H      0.92262033      1.49014426     -1.96348540
  H     -3.99618422      2.33429890      4.17347863
  O      3.06115848      0.90315641      4.97932936
  H     -3.07589632     -1.17170542     -0.67058940
  H     -3.25310897      1.44336903      5.18209021
  O     -3.80934940      4.12090626      3.44329536
  H     -2.57716119     -0.35502508      0.53856421
  H     -1.89737373      1.41167069      7.39804629
  O      0.65658899      3.60731140      4.29788198
  H      4.40718588      2.91220853     -1.34951714
  H     -1.08563704      1.39638084      6.08345508
  O      0.33929697      0.92620043      5.14257106
  H      3.88993311      2.60861613      0.07247462
  H      0.28822187      3.92015213      2.54162835
  O     -3.84957913      1.41390562      4.42350613
  H      4.06443031      2.85446677      2.48574024
  H     -0.85587271      3.62987237      1.52675866
  O     -1.90617113      1.71765166      6.49466446
  H      4.14574093      1.41525844      1.93693387
  H      1.16268881     -2.15158421      0.84094684
  O      0.07126068      3.89822503      1.60028078
  H     -0.55757833     -1.23123445     -0.52169225
  H      1.72049798     -3.37056527      1.61282465
  O      1.56466166     -2.43300228      1.68328261
  H      0.83100308     -0.76724634     -1.00998325
  H      3.79023244      4.37834265      4.55749651
  O      3.40802435      3.63630108      4.09488082
  H     -1.85592920      3.54606544      5.88853332
  H      2.44429556      3.73120787      4.17040994
          69
 Energy    -250.05877818253231     
  O     14.24818492     12.49475354    -14.89862509
  H     14.13609737     11.77553348    -15.53613035
  H     12.57801615      7.10238075    -16.34412260
  O     13.86250440      6.70645489    -13.66439660
  H     15.19879424     12.58251561    -14.76393195
  H     18.67033352      6.10612211    -12.94037196
  O     17.27268471      8.29312924    -11.05151705
  H     14.38745655      7.48526051    -13.90798378
  H     17.64745239      5.80497668    -14.04813482
  O     19.15116072      8.58431728    -15.09048503
  H     13.53309301      6.35368561    -14.50051702
  H     17.50486441     11.18066007    -15.86608154
  O     11.67380549      8.78463227    -16.28495242
  H     16.76400712      7.52577581    -11.34724901
  H     18.31404152      9.87405030    -16.01668920
  O     15.42935355      9.18529990     -9.21831960
  H     16.78757609      8.65556738    -10.29578617
  H     14.93301320      9.33458731    -15.15863978
  O     12.60401662      8.07499033    -11.65807320
  H     19.41788332      8.39434514    -14.18452743
  H     15.76897285      9.40726003    -13.84695746
  O     16.40022700     10.48709790    -12.51827440
  H     18.53689240      7.87591685    -15.32838235
  H     11.92556291     12.98930298    -12.82957229
  O     15.47995241      6.75079459    -17.89306353
  H     11.54522008      9.05100340    -15.35617934
  H     13.07052576     12.34814112    -13.65180467
  O     14.06448280      6.68929077     -9.63132118
  H     10.82183807      8.85451543    -16.70779431
  H     16.50995801      5.66601146    -12.16436358
  O     17.02830062      6.79659471    -15.50233175
  H     14.90108409      9.79338905     -9.75124464
  H     15.05803138      6.14485276    -12.42752090
  O     13.10478386      6.29569756    -16.27559961
  H     14.92354223      8.36294334     -9.18436582
  H     11.66182239     10.51669612    -13.49017664
  O     17.96553783      5.49674289    -13.18746354
  H     12.95612946      7.55178105    -12.39565468
  H     11.63194656      9.06699349    -12.96771694
  O     17.73498441     10.48779002    -16.49373335
  H     12.89048565      7.61730385    -10.85965506
  H     20.38373546      7.74159443    -11.79631580
  O     15.38644335      8.80284379    -14.49316855
  H     16.85335849      9.77579169    -12.04781867
  H     18.86030504      7.98637244    -11.82570248
  O     12.41525221     12.18049131    -12.95022635
  H     15.53955778     10.59418069    -12.08665420
  H     16.69746805      9.80857602    -17.65734676
  O     15.71963636      6.02173592    -11.73164899
  H     15.69706563      7.67797380    -18.07854186
  H     16.24527641      9.89253808    -19.13360116
  O     11.39517633      9.61898446    -13.72296129
  H     15.64871654      6.26310339    -18.69641374
  H     13.40137134     11.18621323    -11.72672185
  O     19.62373017      7.73849114    -12.37310498
  H     13.88131860      5.95445067     -9.05136142
  H     13.48750665      9.67343426    -11.42235511
  O     16.06116669      9.45341428    -18.30750294
  H     14.68363859      6.36238672    -10.30667674
  H     17.68197578     12.98347273    -14.08930429
  O     13.93412101     10.51970320    -11.27572270
  H     16.50288670      7.51394339    -15.11595795
  H     16.90011187     11.71193044    -13.68792767
  O     17.04761684     12.34706246    -14.40993766
  H     16.59317304      6.58149692    -16.33302959
  H     14.61488809      9.98492165    -17.23549922
  O     14.04406835     10.23215272    -16.49846351
  H     13.87006509      6.42275146    -16.84840934
  H     13.21708029      9.73570364    -16.55953610
          69
 Energy    -250.05809096314385     
  O     -2.60586356     -0.67657133      0.08627847
  H     -1.87022373     -0.91320933     -0.49441164
  H     -0.21030913     -1.14244275      2.42295515
  O     -1.83746358      1.75521054      1.29631689
  H     -3.32083173     -0.36371177     -0.48237981
  H     -2.84403516     -1.99812662      1.32189504
  O     -1.15981170     -1.59674354      3.95626198
  H     -2.06168439      0.87194024      0.97265895
  H     -2.43584529     -2.27275877      2.78450884
  O      3.27352938     -2.86527337      0.69787675
  H     -1.09954916      2.07526211      0.75982941
  H      1.73400940     -0.34069212      4.51480846
  O     -0.49621550     -1.23107551     -1.70496231
  H     -0.78750650     -0.97254433      4.58774059
  H      1.72616878     -0.78046806      3.03517212
  O     -1.98679473      0.58267846     -3.14893872
  H     -0.66781951     -2.43048795      4.04320360
  H     -0.04266729     -3.81734529      0.36163883
  O     -4.45082251      0.53209167     -1.66762354
  H      2.39838936     -3.08393534      0.34885412
  H      0.14753446     -2.69753684     -0.72273659
  O     -1.31750107      3.27638572     -2.31133035
  H      3.26089915     -3.11432949      1.62962894
  H     -1.68610953     -5.57172167      1.30939613
  O      0.36208608      2.77625421     -0.20446092
  H      0.23917353     -0.68404882     -1.39362547
  H     -1.85163353     -4.06310888      1.61883703
  O      4.11768579     -0.40076914     -0.00828719
  H     -0.98137151     -0.69145861     -2.34654825
  H      0.45662007      2.66290231      3.13661716
  O      1.44349362      0.30048407     -0.42916604
  H     -1.71662599      1.49043254     -2.96505722
  H     -0.92609812      2.02338683      2.89504467
  O      0.48629250     -1.02609793      1.76422767
  H     -2.88704950      0.51043462     -2.80798956
  H      3.68843344     -3.61306984      4.12555855
  O     -2.81900475     -2.68746966      1.99953202
  H     -4.26441122      1.41614014     -1.30338803
  H      2.85989198     -2.37485709      3.71128289
  O      2.30191152     -0.67758405      3.81068178
  H     -5.38925916      0.48970622     -1.82761569
  H      1.18422634     -3.86956466      3.65207026
  O      0.58828954     -3.19194159     -0.01829346
  H     -1.01323252      4.00121855     -2.85178512
  H     -0.14100621     -4.36938572      3.01701332
  O     -1.19808193     -4.76194130      1.42879177
  H     -0.67222707      3.17497734     -1.59144220
  H      0.05338811      1.06325673      4.81582395
  O     -0.26434274      2.19924215      3.57746346
  H      0.85909516      3.15579605      0.53041210
  H      0.10109231      0.70971481      6.32363363
  O      3.03176100     -3.30907992      3.50355072
  H      0.77985978      1.92156800     -0.39418192
  H      3.24547746      0.64766705      2.88706808
  O      0.23587684     -3.95518048      3.80290040
  H      3.86963633     -1.30892942      0.24468663
  H      3.85147419      0.77018279      1.47663133
  O      0.26878874      0.35729065      5.45446529
  H      4.88775461     -0.47178577     -0.56545333
  H     -2.91150207      3.16695867     -1.24911803
  O      3.55912271      1.28863053      2.23562313
  H      1.09344360     -0.05227594      0.40509875
  H     -3.13627576      2.63199721      0.17395229
  O     -3.60211591      2.89587559     -0.63068816
  H      2.38982228      0.11552868     -0.42868117
  H      2.33699370      4.18309884      2.37427365
  O      1.86940369      3.40650739      2.07826494
  H      0.52487203     -1.83769352      1.23956045
  H      2.50314443      2.66764290      2.11551899
          69
 Energy    -250.05698172138415     
  O     14.05782892      4.74273664     -9.74016563
  H     14.33878496      5.51293062     -9.23339248
  H     17.55776221      9.07527362    -12.38303681
  O     14.71280590      9.28798366    -16.00723442
  H     14.80294202      4.51968387    -10.31222578
  H     14.09294734      8.18754375    -11.33701563
  O     18.19849034      8.78122081    -14.02732582
  H     14.28104384      9.49720248    -16.83170357
  H     15.50204244      8.43571833    -11.94152399
  O     16.03818133     11.78088056    -12.03292099
  H     14.03942690      9.37187997    -15.30933532
  H     12.42926614      4.90237888    -10.47221195
  O     10.95502824      7.76857447    -13.34661618
  H     17.57985130      8.15964104    -14.43837025
  H     11.70905661      4.97495187    -11.84483749
  O     18.58552486      3.63018133    -12.75381861
  H     19.04465356      8.32603895    -13.93955932
  H     21.36759913      7.24484967    -13.68002398
  O     12.05404949      5.13722586    -13.72800495
  H     16.17343450     11.57454209    -12.97550065
  H     20.20225703      6.75727264    -12.78394131
  O     17.27698699      6.85740618    -10.10658125
  H     16.38655400     12.65750307    -11.89188684
  H     14.61608481      6.54271733    -12.97711363
  O     13.34222184     11.00848263    -11.45608172
  H     11.24540113      6.86909984    -13.54351989
  H     15.25474024      5.15249553    -12.83912963
  O     18.59465916      5.31394942    -14.89174133
  H     10.77686350      7.78573037    -12.39856234
  H     15.90309940     10.53838187    -15.13853079
  O     13.03846155      9.45244949    -13.87311199
  H     18.55421641      4.16256348    -13.56884692
  H     17.27011075     10.34212523    -14.47185042
  O     17.09879069      9.21528111    -11.54126044
  H     18.94626429      2.78041059    -12.99094869
  H     15.79857963      7.76570839    -15.62154180
  O     14.63935675      8.04188901    -12.12001588
  H     11.89889160      4.46968821    -14.39137456
  H     15.77582024      6.53695901    -14.67712734
  O     11.58203702      5.10254331    -10.89815105
  H     13.01457781      5.27974190    -13.69350090
  H     19.36452343      5.04685344    -11.70506006
  O     20.41953886      7.15310795    -13.64739701
  H     17.30017869      7.71419436    -10.55725901
  H     18.93905922      6.22394591    -10.79918504
  O     14.72591693      5.69492266    -13.43895371
  H     16.57295776      6.93104388     -9.45064268
  H      9.85368899      7.58767567    -10.03349179
  O     16.55221427     10.98126681    -14.58020762
  H     13.06373596     10.68414650    -12.32143816
  H     10.97526933      6.65932711    -10.56606606
  O     16.35228838      7.07298581    -15.24029895
  H     14.23537470     11.35004812    -11.58878933
  H     16.64874117      5.37459907    -11.03795462
  O     19.65226022      5.90389245    -11.36561466
  H     17.83851760      5.84574943    -15.16803379
  H     17.05042100      4.11885181    -11.85780797
  O     10.70033172      7.59103247    -10.47138001
  H     19.28133557      5.93870336    -14.62559165
  H     14.32456368      7.79349775     -8.90889151
  O     16.29924637      4.57832345    -11.46370829
  H     13.66660169      9.00961736    -13.28229771
  H     14.88519336      7.34250527     -7.54341937
  O     14.95804479      7.19222354     -8.48314472
  H     12.21452578      8.94829693    -13.79584422
  H     12.27494208      8.39263130    -10.01927232
  O     13.16002492      8.75609154     -9.87866550
  H     16.79567347     10.13131458    -11.53544198
  H     13.18940245      9.62954904    -10.29886092
          69
 Energy    -250.05656085088179     
  O     11.22695268      6.56132016    -15.04061590
  H     11.95231297      6.62296980    -15.67819657
  H     17.32345180      6.96631736    -15.05562807
  O     16.82426378      7.38064123    -13.33371834
  H     10.91916749      7.46428125    -14.90309165
  H     13.13423660     10.95579526    -15.66766046
  O     14.28487692     10.73807055    -11.77604936
  H     16.96405097      8.22274478    -12.88276029
  H     12.97861859     10.08462759    -16.91765716
  O     14.61383290     11.10172590    -14.52395507
  H     16.43625385      6.77267726    -12.68918595
  H     14.08309587      7.80913070    -15.11468021
  O     15.35351554      4.81171478    -16.33678503
  H     13.56899890     10.09163401    -11.86230012
  H     15.24054806      7.93042354    -14.07775167
  O     14.04577529      7.28799351     -8.67752803
  H     14.35179924     11.13803418    -12.65312167
  H     11.57571383      5.42071338    -13.79354339
  O     15.53862338      5.75528660    -11.51099579
  H     14.54326711     10.13263166    -14.53189256
  H     11.14783616      4.11264529    -13.08718255
  O     12.43678333      8.81680416    -12.52479793
  H     15.54614039     11.29370054    -14.67345712
  H     18.25751357      9.17897400     -8.86308074
  O     16.69257160      9.36906178    -16.85066874
  H     15.10184655      4.61068111    -15.41705711
  H     17.27914436      8.07044914     -9.30587430
  O     16.56597568      6.43073303     -8.93049066
  H     15.48842579      3.97478729    -16.77300963
  H     15.02085334      4.68917456    -13.00808911
  O     17.44271095     11.04168945    -14.56859373
  H     14.15521225      8.24635934     -8.77056476
  H     13.62364979      4.41918123    -13.59410562
  O     17.36160666      6.83296350    -16.01342311
  H     13.49278968      6.99417813     -9.41227970
  H     16.02939060     10.13886642    -11.94958974
  O     12.47172960     10.52949504    -16.22816595
  H     14.62484339      6.04718790    -11.37413587
  H     17.28314627      9.61784015    -11.20267582
  O     14.39442364      8.30607912    -14.34878344
  H     15.98402700      5.85214100    -10.66264420
  H     14.57521937     10.36229420     -9.93873371
  O     11.83060995      4.77774943    -13.10686302
  H     11.68173305      9.05219640    -13.07557949
  H     15.75205177      9.76959880     -9.14675223
  O     17.55735009      8.98328216     -9.48169404
  H     13.13766905      8.55974232    -13.14785700
  H     15.14487027      9.29122093    -17.60764558
  O     14.56678118      4.34874829    -13.78798166
  H     16.98564397      8.47064071    -16.63127934
  H     14.37688451      9.36824290    -18.94735464
  O     16.95324823      9.87614966    -12.07229603
  H     17.01374990      9.93532321    -16.14315043
  H     12.44179286      5.82764809    -11.68265238
  O     14.80401091      9.93537833     -9.10317644
  H     16.78772565      5.77353596     -8.27656625
  H     12.65055135      7.34696306    -11.52655066
  O     14.26991571      9.17079522    -18.02088175
  H     15.64284247      6.70162021     -8.76004897
  H     11.24876109      9.76353011    -15.22884417
  O     12.86632859      6.49204585    -11.12600310
  H     17.38960118     10.64947412    -13.68247447
  H      9.78770257      9.78093357    -14.72735960
  O     10.62165506      9.33099231    -14.62226675
  H     18.18645213     11.63952167    -14.55639750
  H     13.76384657      7.58617975    -17.22028105
  O     13.50307740      6.89044415    -16.60288480
  H     16.76339512      6.09929097    -16.19485541
  H     14.14951502      6.17381351    -16.65031248
          69
 Energy    -250.05605820712481     
  O     13.41897461      4.47943699    -10.35329731
  H     13.50271559      5.20523633     -9.72248403
  H     12.68982233      8.72265450    -14.90859180
  O     15.89798027      8.94681870    -16.08555721
  H     14.31278914      4.29460963    -10.66609953
  H     16.18788826     10.07216962    -10.75116516
  O     18.39982800      8.64752108    -12.85182027
  H     15.77250888      9.07399455    -17.02268611
  H     17.16010865      9.15059596    -11.58899044
  O     15.41538442     11.65920670    -10.60501229
  H     15.02265983      9.03583208    -15.67086734
  H     13.54325432      8.29511188    -11.60958947
  O     11.19461861      7.64829573    -14.90812421
  H     18.81508492      8.08568223    -12.18140316
  H     15.04133754      8.59995886    -11.85856623
  O     18.33426442      4.83072318    -13.09259041
  H     17.94753278      8.04092889    -13.45408460
  H     10.61995307      3.86484268    -11.62602841
  O     12.26770608      5.21177768    -14.45924971
  H     15.56815008     12.10722756    -11.44736438
  H     12.00023192      4.50388692    -11.35659262
  O     16.45178980      6.72439462     -9.68114215
  H     14.45907059     11.56248531    -10.52662707
  H     14.51780728      6.67104596    -12.99801969
  O     12.54064592     11.27625504    -10.76650087
  H     10.46251439      7.59494223    -15.51662345
  H     15.14226646      5.28289518    -12.72203875
  O     15.76161230     12.70590915    -13.23176037
  H     11.56602169      6.74995421    -14.83349490
  H     17.81948416     10.15105545    -13.81124253
  O     13.13221038     11.65927967    -13.38996813
  H     18.89669116      4.25629974    -13.60703057
  H     16.84457188     10.20366722    -15.00302519
  O     13.51871955      9.18846055    -14.73962094
  H     17.98264730      5.49486661    -13.70662769
  H     16.77632024      7.49216522    -15.22695111
  O     16.44722460      9.15875446    -10.93801680
  H     13.19489989      5.35106964    -14.22002566
  H     16.23159842      6.45664039    -14.22709305
  O     14.23813769      8.26165852    -12.27706770
  H     11.85112147      4.86333906    -13.66056643
  H     18.93927374      5.96605726    -11.62658994
  O     11.20167199      4.56470558    -11.91041772
  H     16.48644732      7.61117273    -10.07257182
  H     18.34022183      6.63522252    -10.37661663
  O     14.77606980      5.83839488    -13.42204567
  H     15.61827209      6.69803125     -9.19687992
  H     10.81050680      6.41094942    -11.97355893
  O     17.27179433     10.75108319    -14.33376893
  H     11.93839540     11.96370334    -10.49284538
  H     10.81597886      7.57659790    -12.98111465
  O     17.05331509      6.83425905    -14.57870735
  H     12.68298701     11.39701958    -11.72263328
  H     16.87734465      4.42391862    -11.88117321
  O     19.07087811      6.69164569    -11.00363215
  H     16.13498690     13.54862343    -13.47567284
  H     16.24946546      5.28234095    -10.75618497
  O     10.72338946      7.37080363    -12.04442668
  H     16.33015289     12.02334621    -13.63049233
  H     13.49745976      6.83908364     -7.76067524
  O     16.08328325      4.52892142    -11.34488092
  H     13.19358993     10.88860039    -13.96700021
  H     13.27088693      7.42103694     -9.17299020
  O     13.77360807      6.75772640     -8.67046552
  H     14.00112587     12.08163386    -13.41346997
  H     11.67491016      8.16569239    -10.80282970
  O     12.36455808      8.53103820    -10.22461807
  H     13.80567981      8.91405993    -13.85361108
  H     12.37056653      9.49155397    -10.32748255
          69
 Energy    -250.05495451209961     
  O     16.40125882      8.86809844    -14.88388789
  H     17.01655676      9.35172504    -15.45214748
  H     18.57972392     12.82936180     -9.77177814
  O     14.99531980     12.34965917    -13.03565851
  H     15.57961497      9.37029620    -14.92561432
  H     20.90316400     15.53862551    -16.03100030
  O     21.30269228     10.98907608    -11.46051860
  H     15.03706100     13.21018878    -13.47461985
  H     20.02661622     15.30402999    -17.27178555
  O     21.35398879     12.97069875    -13.51812181
  H     14.59892210     11.72475821    -13.65780992
  H     19.93117340     10.77498483    -15.60353541
  O     15.47937934     12.16417766    -10.33403069
  H     21.46120969     11.72300250    -12.06601533
  H     20.92934013     10.08383541    -14.64767106
  O     19.55197370     11.24098709     -9.40870035
  H     21.20202552     10.20499026    -12.01401547
  H     18.03375941     10.27328491     -9.96628586
  O     18.10263249      8.86341166    -12.70752811
  H     20.52865719     13.35569459    -13.18712930
  H     16.56774654     10.58076064    -10.30281796
  O     14.14265046     10.66633224    -15.09475766
  H     21.12520289     12.25341430    -14.12783366
  H     14.88062157     13.53604320    -15.96687330
  O     17.63046862     13.21881835    -17.21638685
  H     15.22454984     12.24685558    -11.26719505
  H     15.80687100     12.86892897    -16.98766985
  O     22.46921035     14.70936804    -15.30091380
  H     14.68310785     12.28171482     -9.82141336
  H     20.20475944     13.98253458    -19.54445126
  O     18.17115315     10.79558501    -15.98567669
  H     20.19948789     11.16001014    -10.13095098
  H     20.62831572     13.40186026    -18.17395433
  O     18.01386854     13.55393696    -10.06983885
  H     20.03223165     11.10062965     -8.59678762
  H     18.27602591     14.65340486    -14.13995987
  O     20.06651509     15.79247112    -16.44055792
  H     17.70037899      9.05625323    -11.84681588
  H     18.62857801     15.38813605    -15.46662905
  O     20.83318296     10.82708240    -15.25502686
  H     17.41693997      8.71943938    -13.37651803
  H     22.19750486     13.33599798    -16.61018837
  O     17.23247720      9.88373212    -10.34141848
  H     14.42088986     11.36183749    -15.71822549
  H     21.59243383     11.91691559    -16.59445573
  O     14.93411516     12.79265462    -16.57962057
  H     13.29747295     10.34680037    -15.40019275
  H     21.08926169      7.94131153    -13.23393611
  O     19.93932875     13.91699853    -18.63139154
  H     17.74239929     13.77943171    -16.43569665
  H     19.80740439      8.78844409    -13.05526575
  O     17.90884652     14.95755722    -14.98211458
  H     18.34970365     13.44286636    -17.81998436
  H     16.73790884     11.76989846    -13.24494545
  O     21.84157559     12.64310955    -17.18074512
  H     23.27952614     15.10088409    -14.98571278
  H     17.84501641     10.69040439    -13.01639084
  O     20.76110965      8.83659705    -13.24651221
  H     22.13664570     14.13974977    -14.58593310
  H     14.83889751     15.60684481    -14.38030636
  O     17.67058885     11.56500574    -13.38590682
  H     17.98206074     11.55095825    -16.55653148
  H     16.17878297     14.89642252    -14.67366062
  O     15.23388987     14.74643965    -14.49622085
  H     17.96755787     11.09391248    -15.08488292
  H     18.65193078     13.94839145    -11.72532516
  O     18.89757344     13.85387291    -12.65517921
  H     17.12487096     13.18182202    -10.10689567
  H     18.51932363     13.00290878    -12.93140904
          69
 Energy    -250.05478115064136     
  O     12.51798263      5.20579929    -14.40855654
  H     13.22943322      4.66404536    -14.77196540
  H     19.01095324     10.81933676    -13.80285682
  O     17.56071742      6.17121347    -12.83042252
  H     12.78779305      6.12454452    -14.53613466
  H     15.25320049     10.53486965    -14.56668224
  O     15.24518821     10.11854602     -8.56433409
  H     18.45943250      6.50000443    -12.96209484
  H     14.45668430     10.98047841    -15.81371320
  O     19.27026885      9.47664545    -14.83671838
  H     17.09872654      6.15682157    -13.68118306
  H     16.81752768      8.62093338    -11.00745557
  O     14.85783759      3.65447007    -15.03051168
  H     14.92464163      9.20980347     -8.42056241
  H     16.80617284      7.68833514    -12.24995776
  O     14.63212329      7.49402612     -8.19674033
  H     15.03250492     10.61015110     -7.77458792
  H     12.22883731      4.60194459    -12.79826731
  O     16.21293639      5.04972584    -10.69036064
  H     18.53084373      9.16876458    -15.38180424
  H     11.34320595      3.81064776    -11.80508355
  O     13.64907475      8.47469163    -11.83779262
  H     19.58935550      8.70951953    -14.34977715
  H     16.91815368      9.44984500     -9.05293061
  O     20.05451442      7.40332697    -12.98892076
  H     14.91375053      3.42128060    -14.08654479
  H     17.60144718      8.04985479     -9.02617019
  O     17.23507331      6.29879922     -8.46913211
  H     14.97313070      2.84628994    -15.52262650
  H     13.91371462      3.38343674    -12.10926722
  O     15.95264415      6.22482150    -15.05884137
  H     14.15085277      6.99850534     -8.87281372
  H     15.38957457      3.63062612    -11.74018542
  O     18.83986992     11.50535604    -13.12937094
  H     15.48189937      7.04639991     -8.10822589
  H     16.99498246     11.29004944    -13.07127446
  O     14.82863806     10.21611374    -15.38078380
  H     16.69886245      5.40621858    -11.44941049
  H     16.20937849     10.03084460    -12.66664774
  O     16.37225556      8.44946716    -11.84655039
  H     15.33786989      5.46565835    -10.66112206
  H     19.40851825     10.24054548    -11.77614657
  O     12.19830859      4.22046680    -11.90218730
  H     13.49537196      9.38687833    -11.55979017
  H     19.07393671      9.36486315    -10.54151487
  O     17.65043034      8.93335317     -9.41533789
  H     14.61557569      8.37668722    -11.82553855
  H     14.72347812     11.22927169    -11.66745571
  O     14.81937504      3.15425083    -12.35479406
  H     20.95604606      7.09498997    -12.95073078
  H     14.46614749     10.84217088    -10.19334037
  O     16.10365084     10.92155095    -13.03505600
  H     19.97259083      8.11625328    -12.32927946
  H     13.95669629      8.60383756    -14.93191221
  O     19.70019201      9.47316246    -11.26886934
  H     16.93690104      5.78053249     -9.23600693
  H     13.55720712      8.00480093    -13.57049909
  O     14.02408086     11.07677971    -11.01918960
  H     17.71862153      5.70096608     -7.90491715
  H     13.50877841      6.95735438    -10.93283004
  O     13.68673922      7.78222017    -14.50410121
  H     15.65174713      5.31449688    -15.17162942
  H     13.05269977      5.47376191    -10.84366756
  O     13.63308640      6.13102822    -10.44197358
  H     15.16963411      6.75013413    -14.83870868
  H     16.75191683      7.69503938    -15.94550179
  O     17.05272339      8.57595347    -16.20170489
  H     19.38480992     12.25413220    -13.35511017
  H     16.30443725      9.16428631    -16.04688975
          69
 Ord_Energy   -250.054474    
 O   -4.19430017     -0.222785100       1.66585970    
 H   -4.26875782      0.607159972       1.17628074    
 H   -3.74106073     -0.863718748       1.10442388    
 O   -3.90760994       3.50122762       2.69474244    
 H   -3.00453067       3.24366665       2.91908336    
 H   -4.47042990       3.22568870       3.42778754    
 O   -2.94358683      -2.22657156      0.139202997    
 H   -3.49410939      -2.97932148      0.406078488    
 H   -2.10789752      -2.27112007      0.617991030    
 O   -7.27478313       1.30675638       2.66309524    
 H   -7.12816238      0.366341501       2.81240773    
 H   -6.79528522       1.76923931       3.36108208    
 O   -3.82958126     -0.993179739      -2.12006998    
 H   -3.61680436      -1.48662722      -2.90865231    
 H   -3.46266079      -1.49388266      -1.37021887    
 O   -6.35684538      -1.43002784       2.79918742    
 H   -6.77597332      -1.93822193       2.09200978    
 H   -5.60899401     -0.955411136       2.39974642    
 O   -1.28870380       2.44953012       3.20062637    
 H  -0.511385262       2.92976499       3.47088575    
 H   -1.02665389       1.89000654       2.44516325    
 O  -0.681720436      0.755932748       1.20612001    
 H  -0.625925660     -0.190928131       1.36464882    
 H   -1.16083753      0.878895879      0.372316986    
 O   -6.63204622      -1.32056475       5.61429787    
 H   -6.67758751      -1.39073861       4.65236092    
 H   -6.34795046      -2.18470025       5.93657637    
 O   -6.47422266     -0.784250736      -1.04731476    
 H   -5.60687351     -0.753198981      -1.46884096    
 H   -6.69546604      0.113629714     -0.772905171    
 O   -4.58418941      -3.48799038       3.73401451    
 H   -4.85011101      -3.73618555       4.62888336    
 H   -5.18057966      -2.77896285       3.46052432    
 O   -7.18661880      -2.83019876      0.546423733    
 H   -6.94803476      -2.11411428      -7.12260380E-02
 H   -7.99733210      -3.21469331      0.224876344    
 O   -4.61728048      0.490346044       6.11465883    
 H   -4.00265312      0.414365232       5.36734962    
 H   -5.35120487     -0.128578782       5.96861935    
 O   -3.23056769      -1.97961938       6.85512304    
 H   -3.58977389      -1.08578205       6.79534769    
 H   -2.64774466      -2.09203696       6.09508705    
 O   -7.16269159       1.79372692      -4.81079984E-03
 H   -7.25914764       1.65746796      0.954894125    
 H   -7.88010645       2.35953498     -0.277289510    
 O   -4.41474915       2.22293234      0.347512484    
 H   -5.35537767       2.22649646      0.138088539    
 H   -4.27540827       2.77797389       1.13066399    
 O   -4.67172432      -4.14540339      0.999179363    
 H   -4.60419416      -4.13327456       1.96331704    
 H   -5.55698824      -3.82198000      0.789873242    
 O  -0.676932275      -2.11478758       1.79114687    
 H   -1.08894420      -2.23188496       2.66284871    
 H   0.145730227      -2.59800506       1.81018150    
 O   -5.75206041       2.60768700       4.72751760    
 H   -5.37169123       1.92465162       5.30202961    
 H   -6.16610336       3.24539161       5.30514669    
 O   -2.25587749       1.16876936      -1.02921379    
 H   -2.97020364       1.68399811     -0.626110196    
 H   -2.70404673      0.494745195      -1.55039239    
 O   -2.87521553      0.326793998       4.00120449    
 H   -3.34085846      0.180801958       3.16407800    
 H   -2.27084637       1.06589901       3.86108351    
 O   -2.07622075      -2.28000522       4.16853428    
 H   -2.89549017      -2.76137066       3.98473978    
 H   -2.29614043      -1.33472526       4.14377069    
 O   -5.28247499      -3.71955872       6.43563843    
 H   -4.53744650      -3.14696479       6.69348240    
 H   -5.40703344      -4.34768581       7.14135933    
          69
 Energy    -250.05421210743978     
  O     18.28721603      8.91972717     -7.76235092
  H     18.44040058      8.17778177     -7.16414453
  H     18.88281558      6.34130603     -5.39344422
  O     19.11261202      4.82273616    -10.09362221
  H     19.10318610      9.43400313     -7.81915276
  H     16.78847254      9.47363712     -8.68576810
  O     19.07263179      5.83450515    -13.79219422
  H     18.57000922      4.47144772    -10.81439872
  H     15.66338484      8.67361177     -9.36025153
  O     18.04869337      8.27944336    -12.61909366
  H     19.04898939      5.79091435    -10.14894351
  H     20.28489521     10.69898584     -9.20461252
  O     22.71277921      7.70066248    -11.83854185
  H     18.67392770      6.68824889    -13.58634795
  H     21.04993559     11.11554624     -7.92311886
  O     17.38472351      4.20680207    -12.15045087
  H     18.48627536      5.16612184    -13.41369998
  H     20.55426419      5.59896622    -12.79552306
  O     20.72973285      9.56523309    -12.71704145
  H     18.41103420      8.00408699    -11.76055011
  H     20.72697745      5.06972521    -11.36765336
  O     20.76016117      5.63373555     -7.87741646
  H     17.65560854      9.14975315    -12.46885524
  H     14.19250360      3.85053444    -12.03599313
  O     15.02325913      3.31764459     -8.91927862
  H     23.57020037      7.58649236    -12.23893917
  H     14.36271750      5.36182391    -12.29360703
  O     21.63820256      7.90066379     -9.27651679
  H     22.23040653      6.86115190    -11.95666446
  H     14.37785150      6.42438272     -9.34782717
  O     18.99945137      7.56837480    -10.14063675
  H     16.83909391      5.00747382    -12.12015457
  H     15.86894941      6.32589198     -8.92625840
  O     18.73575477      6.52691896     -6.31706696
  H     16.78165056      3.46733431    -12.01033844
  H     16.49342158      7.19590158    -12.37398165
  O     16.09677459      9.53704593     -9.35806247
  H     21.42851825      8.93363591    -12.50738385
  H     15.66799012      6.71721703    -11.14810242
  O     20.64854868     10.36990872     -8.36031438
  H     19.94359858      9.04918943    -12.92219983
  H     18.71953755     11.11152699    -10.97961220
  O     21.20640576      5.48962613    -12.08598239
  H     21.20084219      6.38342789     -8.30290945
  H     20.12309123     10.67746034    -11.43245153
  O     13.70639543      4.68326115    -12.08644300
  H     20.34473741      5.13092737     -8.58798483
  H     17.51623722      5.57927985     -7.42337424
  O     15.22735889      6.88152450     -9.38970123
  H     15.72918285      3.85096246     -8.53294101
  H     17.75132150      4.92625256     -8.80331608
  O     15.86714313      6.52711471    -12.07646355
  H     14.25357643      3.89782383     -8.97681628
  H     13.11628054      5.03459919    -10.47174441
  O     19.64666647     11.13012973    -10.72002305
  H     22.14287410      7.94494059    -10.09934832
  H     12.02450299      5.28693135     -9.40172168
  O     17.06489807      5.15531974     -8.16285954
  H     21.47082547      8.79795909     -8.96018974
  H     16.59292656     10.29670304    -10.82544181
  O     12.96701254      5.22335995     -9.52743064
  H     18.55280164      8.01050946     -9.40878436
  H     16.34561627     11.33655988    -11.94671977
  O     16.95949743     10.67164678    -11.64720698
  H     19.94504401      7.68883350     -9.97717504
  H     15.26434362      2.64995862    -10.52625428
  O     15.35342593      2.40358513    -11.46440373
  H     19.51520492      6.19736632     -6.80053848
  H     15.19572418      1.46515035    -11.52066315
          69
 Energy    -250.05362899812229     
  O      4.08182420      1.52846948      0.42781099
  H      4.09777777      2.22116190     -0.24424059
  H     -1.40181266      4.12468292      0.21154196
  O     -0.57084496      2.33324133     -2.29388077
  H      3.61893724      0.78265777      0.01533363
  H      0.63328999     -1.16314632     -3.07460416
  O      0.15745485      0.61854086     -0.21686742
  H     -1.42704184      1.94472330     -2.50418703
  H      1.86117308     -1.64543352     -3.87617644
  O     -1.11062661     -1.29598278     -2.84903397
  H     -0.71864605      3.12235872     -1.74759982
  H      1.79311605     -1.32671971      2.41169666
  O     -3.39512004      1.11846896      0.12996496
  H      1.06590741      0.32984851     -0.37143738
  H      1.65618473     -2.66922264      1.66828479
  O     -2.95987305      0.88263469     -2.54503091
  H     -0.09205648      1.21074735     -0.93854370
  H     -2.54057998     -1.46181680      2.43571847
  O     -0.00591289      1.87643881      2.18619038
  H     -1.74607275     -0.57182988     -2.89830264
  H     -4.02794142     -1.63852592      2.06267532
  O      4.51923739     -0.30809975      2.55635720
  H     -1.21436984     -1.65274638     -1.95655222
  H     -1.50514158      2.78595561      1.97517766
  O      3.27740592      1.01621895      4.57264601
  H     -3.37549876      0.37669719      0.74550540
  H     -2.64186996      3.72692412      2.43848119
  O      0.92061564     -0.27124594      3.66606044
  H     -3.10172208      1.89010060      0.63030858
  H      3.11410138      2.35802005      1.73914022
  O      3.60853133      3.38497607     -1.61526796
  H     -3.14560899      0.95401462     -1.59134733
  H      2.84688100      2.37566754      3.26002176
  O     -0.86282438      4.37214303     -0.54664828
  H     -3.76962410      1.10264986     -2.99789209
  H     -0.03420390     -4.56994767      1.01681514
  O      1.60415329     -1.12074332     -3.12234588
  H      0.85314896      2.31106018      2.28066241
  H     -0.32999479     -3.07153671      0.76284812
  O      2.24380906     -1.91344860      1.78705585
  H      0.00075565      1.43875437      1.31998608
  H      1.97079802      0.82862055     -3.19488644
  O     -3.22020827     -1.21392579      1.78439825
  H      4.57512156      0.31456808      1.81883286
  H      1.08428552      2.05740158     -2.93286871
  O     -2.31663407      3.23818711      1.68677358
  H      3.92094467     -1.00972146      2.27115148
  H     -0.49885570     -1.47426961      3.64217621
  O      2.59518467      2.79677846      2.43047753
  H      3.80079602      1.08072795      5.36659621
  H     -0.76106917     -2.77265159      2.86053158
  O      0.12341536     -3.69381944      1.35834316
  H      3.81134913      0.52554009      3.92128313
  H      2.36443427     -0.93895045     -1.43197161
  O      1.99893670      1.78580448     -3.10427957
  H      1.66388821      0.11085085      4.14767728
  H      2.49748617     -1.18571627      0.13163618
  O     -1.19778499     -2.09019943      3.38351465
  H      0.49885808      0.46271049      3.19564321
  H      2.38873384      4.22297392     -0.38298496
  O      2.64582639     -0.55889017     -0.59054369
  H      4.12311237      3.93022165     -2.20436686
  H      2.07658405      4.13261275      1.11929868
  O      1.77952067      4.53712962      0.29646259
  H      3.05714186      2.81108723     -2.17688235
  H     -0.74353363     -0.93450923     -0.12188645
  O     -1.20592969     -1.78693222     -0.09296555
  H      0.03834850      4.51150381     -0.21650264
  H     -1.99789440     -1.64846900      0.44100988
          69
 Energy    -250.05355716198713     
  O     10.48119176     10.73057699     -9.54419640
  H     10.73815341     11.01030678    -10.43872105
  H     11.55076869     12.11560923    -12.59758190
  O     14.20320097      9.13202564    -14.75107492
  H      9.61329434     11.09191500     -9.38226872
  H     15.07038248     12.39210415    -14.49821024
  O     11.18365981      7.97509850    -10.00283871
  H     14.84049733      9.75207100    -14.36886661
  H     14.98251394     13.91167576    -14.79343829
  O     14.36640608      6.81488214    -13.10601173
  H     14.33949579      8.29038586    -14.29924051
  H     16.40081515     10.80351923     -9.49922639
  O     14.98239434     11.91979491     -9.09923487
  H     11.95028657      7.86927428     -9.42653221
  H     16.50580263      9.43016520    -10.19802505
  O     13.43084123     11.11127817    -16.68018487
  H     10.84032923      8.85628503     -9.81694002
  H     14.93041486      7.72437558    -11.56409828
  O     11.76263419      7.17144440    -12.58460701
  H     14.54070848      5.91703093    -13.37418595
  H     14.62205963      9.15535832    -11.06759231
  O     13.60908638      7.95385615     -8.49026620
  H     13.41311198      6.86862307    -12.90112213
  H     14.03974714     15.33193758    -12.85654012
  O     14.03515608     10.80795555    -11.44531618
  H     14.23520220     11.58082320     -8.58097197
  H     12.71368696     14.55807199    -12.76497360
  O     12.85881431     10.66465206     -7.96061070
  H     14.84788896     12.85978189     -9.27083100
  H     17.74342869     11.11966652    -11.21211280
  O     16.88433185     14.26590073    -11.83227977
  H     13.74324384     10.32210390    -16.21991286
  H     18.98533445     11.51024509    -12.04800005
  O     11.37588035     11.33169763    -12.06025085
  H     13.90379263     11.85341759    -16.27784105
  H     11.44991959     12.83405700    -14.63922817
  O     14.59157105     13.05802846    -15.01420182
  H     11.46159324      7.89567961    -13.14644738
  H     12.90944958     13.17675170    -14.29974542
  O     17.02243331     10.20093386     -9.93376210
  H     11.50552325      7.39910839    -11.67886773
  H     14.13635550     14.71938677    -10.72984931
  O     15.04214807      8.31881480    -10.81312571
  H     14.02004175      7.31274131     -7.91593247
  H     14.64155867     15.34027688     -9.40961241
  O     13.33140258     15.08727693    -12.24689831
  H     14.16696722      8.01846501     -9.28315028
  H     15.14731949     11.02560305    -12.77275982
  O     18.04731344     11.65856478    -11.96461528
  H     13.10091953     10.99438896    -11.58751424
  H     16.64143742     11.22753825    -13.12347410
  O     12.00232880     13.24960763    -13.96632087
  H     14.31917294     11.24946339    -10.63307194
  H     11.74655158     11.42144244    -16.34628419
  O     14.70389221     14.56008281     -9.95546465
  H     12.01426874     10.74630192     -8.42046358
  H     10.26692489     11.66612519    -16.73253793
  O     15.77386664     11.07360453    -13.51311118
  H     13.10577667      9.73312208     -8.02543374
  H     16.10438518     16.19359319    -14.22591950
  O     10.85415999     11.58065136    -15.98669132
  H     16.26437585     14.29529249    -11.09407644
  H     16.15792566     15.02511906    -13.20997560
  O     15.63053499     15.42262852    -13.92717139
  H     17.30048635     13.39582569    -11.82193843
  H     12.41360288      9.40929220    -14.34817629
  O     11.47436430      9.51611919    -14.13629858
  H     11.32620365     10.59413965    -12.68606881
  H     11.11100232     10.11715904    -14.79748298
          69
 Ord_Energy   -250.052261    
 O   -1.76989484       5.96602154       3.68373489    
 H   -1.91104746       6.21169710       2.76169825    
 H   -2.65146375       5.79443455       4.04126644    
 O   -1.44373238     -0.488136709       4.89370966    
 H  -0.668356121     -0.809733391       5.34734821    
 H   -1.47326183      0.474778980       5.03410816    
 O   -1.77257919       2.22668314       5.14491701    
 H   -1.04630041       2.85788202       5.07356787    
 H   -2.32741761       2.38373804       4.36389542    
 O   -6.69546509      -1.28728068       6.25286102    
 H   -5.80825472      -1.17808497       5.87342119    
 H   -6.84053946      -2.22609258       6.34360313    
 O   -3.44311953     -0.326208264      0.579334319    
 H   -3.73770237      0.520236015      0.193653017    
 H   -3.44936967     -0.967042565     -0.126158327    
 O   -2.22433162       3.66739535      0.647499084    
 H   -2.25596046       4.63073015      0.667775095    
 H   -1.34826601       3.38733029      0.956061900    
 O   -7.07419443       2.04017162       3.19292021    
 H   -6.35438204       1.41773033       3.00757623    
 H   -7.69823456       1.57290781       3.76733780    
 O    9.54723433E-02   4.13815451       4.41029549    
 H   0.878046930       4.59100866       4.71198416    
 H  -0.543125808       4.82808065       4.15277719    
 O   -4.91438675      0.415810049       2.80147505    
 H   -4.66223907      -4.79187407E-02   3.60994816    
 H   -4.45827246       8.28110985E-03   2.05404139    
 O   -4.28071308       2.08723474     -0.266223460    
 H   -5.06451941       2.53362489       7.22089484E-02
 H   -3.53346419       2.67976475      -9.23654884E-02
 O   -8.48087025      0.711525798       5.14124155    
 H   -8.55327415       1.32799625       5.88052654    
 H   -7.94814682      -2.37767994E-02   5.46768379    
 O   -4.20596266       1.87195814       6.52564669    
 H   -4.84903240       2.48412585       6.14010096    
 H   -3.32854438       2.13715386       6.22334862    
 O   -6.26486588      0.817149639       8.16635895    
 H   -6.44400120       1.41934799E-02   7.66107988    
 H   -5.44825602       1.18108606       7.79834986    
 O   -4.20290184     -0.600654066       5.29467392    
 H   -3.26293015     -0.784241199       5.17542362    
 H   -4.25021839      0.257214606       5.74664164    
 O   -5.12399149       5.83910513       1.63988054    
 H   -5.61562443       5.07117128       1.32714009    
 H   -4.98993301       5.69880772       2.58780456    
 O   -6.25865269       3.47409201       5.48423433    
 H   -6.53165579       3.04287291       4.66198301    
 H   -6.96133757       3.31996822       6.12680721    
 O   -4.37750483       5.07282543       4.22861004    
 H   -5.08064699       4.74782038       4.80277538    
 H   -4.03173399       4.28242779       3.78205347    
 O   -8.18394089       2.55690885       7.33131027    
 H   -7.53915548       1.95638478       7.74631357    
 H   -8.72995377       2.90467715       8.03075790    
 O   -1.03751731      0.188218564       2.10458541    
 H   -1.81474829      -1.58698391E-02   1.57147110    
 H   -1.20279980     -0.174741626       2.98102140    
 O   -6.56091261       3.46423459      0.885695875    
 H   -6.81392384       3.00867462       1.70517278    
 H   -7.35986614       3.54923272      0.369418770    
 O    3.34138498E-02   2.75097942       1.83378768    
 H   0.139160708       3.14047599       2.70791006    
 H  -0.247988313       1.83164167       1.95903969    
 O   -2.57274556       6.43588829      0.969617248    
 H   -3.52163744       6.29175138       1.14103925    
 H   -2.50675201       7.19647503      0.399221539    
 O   -3.41730547       2.78773737       3.02636194    
 H   -3.00573802       3.06211185       2.19604921    
 H   -3.94396400       1.99827206       2.85731268    
          69
 Energy    -250.05217263581088     
  O     12.02242593     11.00456102    -14.81370767
  H     12.82941406     11.49931696    -14.99592161
  H     14.26492950      5.38219861    -14.25341554
  O     15.06861885      6.23893304    -12.79677058
  H     11.88479602     10.42295178    -15.57130601
  H     16.78350290      9.94423811    -16.00572914
  O     17.75157288      9.82624309    -12.58254288
  H     16.00778549      6.38463407    -12.62436073
  H     15.39139236      9.38571626    -15.60958362
  O     18.44714190      9.64708606    -15.25338938
  H     14.56995107      6.58650851    -12.04461288
  H     13.60531189      8.23560019    -14.59518385
  O     12.02470876      7.27746873    -14.98429017
  H     16.86235238     10.19635973    -12.68235886
  H     14.83920567      7.70706450    -13.85594510
  O     15.60181494      9.86019762     -8.84834270
  H     17.99384614      9.93979717    -11.65456840
  H     11.48297456     10.69391524    -13.17193455
  O     13.64932666      7.42985135    -10.71839196
  H     19.34601262      9.92068036    -15.41899726
  H     10.38751159     10.99112716    -12.12345991
  O     15.17105181     10.74244531    -12.96010801
  H     18.29732402      9.74439720    -14.29812243
  H     18.06432486      8.01923267     -9.74038899
  O     15.66089764      6.15304239    -17.09509257
  H     11.68736502      7.32888593    -14.07819684
  H     17.85540038      6.86393155    -10.73395990
  O     15.38476074      7.01663213     -8.54964311
  H     12.54939719      6.46741521    -15.06984947
  H     12.02562816      7.41425685    -11.74506985
  O     17.82084027      6.79820177    -15.32303286
  H     15.45806886      8.93749063     -8.60303429
  H     11.18940256      8.59491245    -12.27801998
  O     13.82032293      5.21633764    -15.09683370
  H     14.84740165     10.11090625     -9.39715239
  H     17.72123265      7.94514632    -12.55862997
  O     15.84251740     10.00112181    -16.21115461
  H     14.14460899      7.18373243     -9.92723234
  H     17.84584097      6.75022140    -13.52744303
  O     14.50081407      8.47719650    -14.33102207
  H     13.64211849      8.39674646    -10.74285304
  H     18.67979005     10.47409925     -9.22676576
  O     11.19776468     10.50679530    -12.26022418
  H     15.00634732     11.44611828    -13.59740760
  H     17.22504004     10.00289606     -9.46115972
  O     17.79634200      7.09421058     -9.79690201
  H     14.85646508      9.92390268    -13.37925425
  H     14.90070941      9.06971241    -17.53224284
  O     11.32442874      7.64340668    -12.36763147
  H     15.15912274      6.91702971    -17.42580084
  H     13.42931180      8.64141433    -17.68549417
  O     17.73161718      6.97949490    -12.59262508
  H     15.83804275      5.59832969    -17.85157763
  H     14.19473694     10.51242532    -11.47719835
  O     18.13140323      9.96484478     -9.81749768
  H     16.25468335      6.95117937     -8.98313688
  H     12.69911648     10.40263751    -11.13697443
  O     14.32986046      8.40041689    -17.93297721
  H     15.40009297      6.41784442     -7.80815843
  H     15.04094315     11.51564455    -15.71936182
  O     13.58082993     10.25074738    -10.77516790
  H     17.09556958      6.58355705    -15.92257820
  H     14.78372468     13.04212794    -15.74943898
  O     14.56925296     12.24239366    -15.27677337
  H     18.04989894      7.72043511    -15.48236645
  H     10.92945190      8.97188953    -17.43189455
  O     11.72592855      9.09304036    -16.92114872
  H     14.46151455      5.44433845    -15.78093989
  H     11.74474936      8.37794513    -16.25733771
          69
 Energy    -250.05145185919096     
  O     13.13078556     11.78215740    -13.04650711
  H     13.96292046     11.30937224    -13.20210041
  H     17.56068691     13.13541273    -14.89215758
  O     20.17388173      8.73048985    -12.22022828
  H     12.43296359     11.11549123    -13.03414653
  H     13.51140094      8.30893232    -14.88168188
  O     16.92121285     11.29445424    -11.40172512
  H     19.94376519      9.61595421    -12.55908197
  H     12.21987659      9.06853444    -14.53888326
  O     13.13297245      8.80841464    -10.98979272
  H     21.11542895      8.72803485    -12.07270200
  H     15.25133543      9.44401444    -13.57951732
  O     16.39265066      6.91986241    -11.77296706
  H     16.77361271     12.25315648    -11.40440700
  H     15.91592698     10.57715561    -14.37954778
  O     14.48426775      6.61669970     -9.72915690
  H     16.46797143     10.93587640    -12.18189612
  H     13.45699657     10.00213014    -16.39459443
  O     18.50552460      6.98136766    -13.68760592
  H     13.48581944      7.99246291    -10.61952867
  H     13.46051558     10.53837182    -17.84513636
  O     13.91983400     13.04043237    -15.42200651
  H     13.62566145      9.52855049    -10.57503234
  H     16.71468708      8.66871104     -9.02994707
  O     17.93873500      8.88002750    -10.48567699
  H     15.74023073      6.63183351    -11.12339966
  H     15.41341342      9.44230695     -8.73982889
  O     16.54798139     10.43478566    -16.13479546
  H     16.90518368      7.61789892    -11.34021905
  H     15.33869559     13.89969744    -14.84679688
  O     17.18881821      7.69400773    -15.92606664
  H     14.19487991      5.93948689     -9.12424363
  H     16.17452669     15.19844151    -14.85442144
  O     18.19788594     12.44903884    -15.12039765
  H     14.96897499      7.27818705     -9.20190853
  H     15.24181867     13.85020828    -11.33497919
  O     12.80602178      8.84479288    -15.27090615
  H     17.83424644      6.76348136    -13.02871015
  H     16.13073530     14.08898044    -12.58555520
  O     15.49183346     10.37810394    -13.53489957
  H     19.14964045      7.54442802    -13.23961679
  H     12.72103923     13.84031345    -10.61826332
  O     13.88171151     10.64015001    -16.99583254
  H     13.89869081     12.30665014    -16.04697402
  H     13.28516624     12.78956255    -11.60537048
  O     15.88004744      8.61931090     -8.54474433
  H     13.49287542     12.70740446    -14.62121016
  H     18.62218618     11.34709981    -12.34511774
  O     16.11325242     14.33541680    -14.45152436
  H     18.78883560      8.75547358    -10.92506593
  H     19.07604885     11.62244051    -13.78038933
  O     16.15515710     13.86922952    -11.64463280
  H     17.63266267      9.76230146    -10.74121091
  H     12.00500484      9.23543169    -12.20685721
  O     13.47055285     13.27401694    -10.78189096
  H     15.67904391     10.48737118    -16.55365248
  H     10.52239507      9.39505781    -12.62705355
  O     19.33594983     11.16793738    -12.96620441
  H     16.82433197      9.50902686    -16.14302325
  H     14.16241371     11.70781125     -9.89116590
  O     11.41509084      9.58264427    -12.90245551
  H     17.39584422      7.07344117    -16.61985379
  H     15.46355729     10.99971163    -10.28027420
  O     14.64746276     10.88264863     -9.77512906
  H     17.74996874      7.45851595    -15.16465332
  H     15.42574059      7.33206116    -13.26408230
  O     15.03329321      7.66596447    -14.08224568
  H     17.70056070     11.78147206    -15.61220947
  H     15.70959417      7.59315952    -14.76851401
          69
 Energy    -250.05113934103537     
  O     17.13252366      9.82047445    -11.18774061
  H     16.91067856      9.54361316    -10.28246052
  H     12.22664170      8.80559342     -6.23839629
  O     15.67217810      6.41592965     -9.00503210
  H     16.39440784      9.53347290    -11.74079380
  H     17.91161982      4.82332429    -12.77668400
  O     17.87299289     12.26318429    -10.20051117
  H     15.83988344      7.36951952     -8.94555220
  H     17.91114532      3.28686838    -12.58468352
  O     14.93338499      8.77069045    -12.49762181
  H     16.50665052      6.01935172     -9.28721476
  H     17.67524028      6.72040943    -13.98966243
  O     19.10830502      7.87491405    -11.35909458
  H     17.97088814     12.93216904    -10.87332305
  H     18.76531830      6.89415224    -12.89922643
  O     20.89283207      8.67536526     -9.34675374
  H     17.60281104     11.44699319    -10.65412946
  H     18.43687514     11.72037729     -5.35135977
  O     18.14202238      5.62839146     -9.95593598
  H     14.58568560      8.03517786    -11.97220561
  H     17.54262847     11.62024957     -6.61001461
  O     11.82153727      8.03950266     -9.60147693
  H     15.24398204      8.38091282    -13.32397177
  H     15.53963289      6.43060240    -14.16080684
  O     16.42670702     12.37634997     -7.71494373
  H     19.81372446      8.14209083    -10.75646217
  H     15.65761697      7.12189805    -15.54122279
  O     13.18546764     10.28318061    -10.81645113
  H     18.45778042      8.59065998    -11.36242457
  H     15.56871478      9.69704393     -8.57838525
  O     14.16447596     10.81698006     -8.31120799
  H     21.84170292      8.75418537     -9.29841276
  H     16.74098252      8.92353990     -7.90006694
  O     12.74620936      8.68624440     -7.02931896
  H     20.52329377      9.52369775     -9.04179076
  H     19.34296472     11.01853569     -7.62927486
  O     17.53370910      4.09562154    -12.24866732
  H     17.96252037      4.96086195    -10.62902859
  H     19.20716220     11.47767816     -9.09406328
  O     18.43094299      6.28777637    -13.57464831
  H     18.45580489      6.40968288    -10.43465654
  H     15.09899672      6.67118934     -7.21178906
  O     18.22965087     11.15984038     -6.09439489
  H     12.11805426      8.21855595     -8.69546769
  H     15.72790042      7.60358396     -6.16711384
  O     15.90658044      7.20630846    -14.62463258
  H     10.88256320      7.87385724     -9.55453280
  H     13.06725208      7.00743174    -10.59584356
  O     16.29897628      9.08679602     -8.74342462
  H     16.84983508     12.43703584     -8.58046438
  H     14.48305366      6.46311469    -10.29843584
  O     19.76870478     10.97282543     -8.49372413
  H     15.56532138     11.96461472     -7.86479790
  H     18.90155045      6.36882974     -8.32792195
  O     14.89597542      7.17645701     -6.41292933
  H     12.61511444      9.55814312    -10.53269994
  H     19.88398988      7.53970302     -8.18311159
  O     13.85155075      6.63614243    -11.01402059
  H     13.75572579      9.91580306    -11.50318041
  H     17.76274017      9.34131996     -6.07923713
  O     19.24990298      7.00424591     -7.69087164
  H     13.63274511     10.21272680     -7.78069162
  H     18.11414038      7.92749954     -6.66809847
  O     17.40667685      8.46731473     -6.27956343
  H     13.82254233     10.77277533     -9.21830867
  H     14.50291046      5.53668725    -12.37667684
  O     14.99480514      5.14754457    -13.11253745
  H     13.50917039      8.13432102     -6.77813692
  H     15.75334495      4.68835367    -12.73192642
          69
 Energy    -250.05060760108157     
  O     19.29672842      6.35741041    -13.69606982
  H     18.79836142      5.57905349    -13.41815078
  H     10.57576800      6.08298745    -11.67616593
  O     13.90022699      4.34805265    -15.86678655
  H     19.01413944      6.54347637    -14.59942907
  H     13.87784321      5.13886901    -12.73860244
  O     13.70507388      9.72468697    -13.29640866
  H     13.71549176      5.25296903    -16.17962785
  H     13.32636536      4.70412911    -14.12511250
  O     11.27329862      8.67988045     -9.99487086
  H     13.47926027      3.75206679    -16.48073948
  H     13.73328984      9.78492667    -11.52829642
  O     13.41775712      6.92382318    -16.50654509
  H     13.10749052      9.07483125    -13.69544316
  H     14.53942831     10.27554426    -10.29776999
  O     18.16677581      6.74186529    -16.35534816
  H     14.20574529     10.17352375    -13.98747215
  H     15.73240108      7.72223312    -14.39640287
  O     16.71973587      4.59679068    -15.60115952
  H     11.50302839      7.88454071     -9.49945253
  H     14.98969885      8.38542236    -13.22051273
  O     16.18866613     11.08300657     -9.97204665
  H     12.10339170      9.15908802    -10.12301147
  H     16.80725334      4.59630199    -12.44120769
  O     12.12437912      6.13032282     -8.96049605
  H     14.23676094      7.43840012    -16.49427128
  H     17.80476988      3.41666649    -12.40375156
  O     15.84258633      8.28029546    -16.15252075
  H     12.85838591      7.27784650    -15.80338177
  H     15.73865294     11.71782188    -15.40319365
  O     10.00956315      7.84783025    -12.24605129
  H     18.72566889      6.52912482    -17.09850882
  H     16.24394409     10.91064809    -14.18348236
  O     11.06992471      5.32855792    -11.33337956
  H     17.64491843      5.94120690    -16.15770970
  H     11.30811189      7.74988202    -13.56324003
  O     13.07472387      5.08296472    -13.27412671
  H     15.77009275      4.45333129    -15.68688124
  H     12.48983578      6.77990749    -13.78663302
  O     13.81504867      9.69834361    -10.56686488
  H     16.96732673      4.33061377    -14.70669836
  H     17.63210417     10.08977360    -12.56525987
  O     15.62988009      7.69678757    -13.43751742
  H     16.58281829     10.21744845     -9.75611330
  H     16.77439370     11.11983818    -11.81780011
  O     17.53849328      4.17264696    -12.92095982
  H     16.46205541     11.68778081     -9.28783188
  H     15.18757922      5.96522317    -11.00961817
  O     15.70095272     10.85855754    -14.99173507
  H     11.75284621      5.76404161     -9.78316328
  H     15.52518841      6.26506727    -12.48095113
  O     12.10941802      7.61812431    -14.08623953
  H     11.77194308      5.61000039     -8.24370093
  H     17.19452628      8.12200618    -12.61290392
  O     17.12210341     10.90233439    -12.69018306
  H     16.72183374      7.90877060    -16.30487486
  H     18.67100696      7.70478201    -12.64118925
  O     15.42282057      5.53823160    -11.84368328
  H     15.92757338      9.20158506    -15.87435924
  H     16.39104977      7.94988815     -9.50235218
  O     18.05559446      8.31539505    -12.21503211
  H      9.11155675      8.16730530    -12.25949102
  H     17.55480560      8.38710200    -10.43154933
  O     17.12413336      8.57140936     -9.58411833
  H     10.42848824      8.21998686    -11.44882072
  H     13.84752432      6.73525786     -9.34310251
  O     14.63845824      7.13600148     -9.72488719
  H     11.71432746      5.10338749    -12.01814620
  H     14.36424490      8.00655557    -10.04848234
          69
 Energy    -250.05009923817559     
  O     17.06157695     10.48744938    -15.06856191
  H     16.43524840     11.21226393    -14.95159390
  H     17.92950219      7.36755703    -10.37606846
  O     15.04031483      6.72969738    -11.05499557
  H     17.42017900     10.32078243    -14.18643372
  H     12.60320546      8.64597945     -8.68703427
  O     11.47967495      8.54097799    -13.21530978
  H     14.09103162      6.57041269    -11.12601797
  H     11.44969863      8.87105431     -9.68110566
  O     13.39978075     11.20347086    -10.32924316
  H     15.43738637      6.52235632    -11.91263042
  H     14.53581874     12.39717558    -11.21166160
  O     18.61209291      7.21704677    -12.23871524
  H     12.18400784      9.10656001    -13.56536424
  H     16.06258692     12.59353973    -11.26858376
  O     13.87957008      6.32493220    -16.50880195
  H     11.33609435      7.84055590    -13.86834662
  H     14.99107445      8.51148107    -11.39837402
  O     16.32044454      6.39569141    -13.52475885
  H     13.51767149     10.87236504     -9.42837574
  H     14.54002163      9.99631522    -11.16650896
  O     13.63753223     10.01079231    -14.01877145
  H     12.51624755     10.93807558    -10.61355835
  H     12.19302739      5.08794069    -12.31204147
  O     16.45669806      9.90300035     -8.62764365
  H     19.38162964      6.72437259    -12.51204307
  H     11.69166040      3.65820340    -12.61159302
  O     14.63470064      4.46818361    -14.45537872
  H     17.85551097      6.83965370    -12.71895565
  H     10.01023451     10.50560412    -11.11500281
  O     13.87182890      9.87959321     -7.91942318
  H     13.98143743      6.28713722    -17.45670401
  H     10.99690602      9.56747030    -11.84363932
  O     17.32615633      7.47189990     -9.63314173
  H     14.45500093      7.04254242    -16.19615371
  H     12.12512526      6.99746620    -10.48047344
  O     11.90390270      8.18934526     -9.16993343
  H     16.05457460      7.10544966    -14.12391848
  H     12.04883001      7.24329061    -12.00788190
  O     15.24140007     12.81377725    -11.72443421
  H     15.84539277      5.60191007    -13.81328889
  H     11.60964769      5.62479170    -14.36405511
  O     15.01953956      9.40595740    -11.76104518
  H     14.13580411      9.77211092    -13.21927852
  H     12.22714097      6.40358432    -15.53837284
  O     12.17559902      4.38928864    -12.98754354
  H     13.95488373     10.88530666    -14.27342554
  H     17.77228680     11.15518349    -11.16411292
  O     10.88005795     10.11897349    -11.05174286
  H     16.82989870      9.06020574     -8.92650159
  H     18.45611769     12.25479365    -10.31925630
  O     12.28295977      6.58260351    -11.34177357
  H     16.85655005     10.59108927     -9.16867855
  H     14.65196227      8.81816855    -14.96077003
  O     11.48396756      6.40168604    -14.92273803
  H     13.83509659      4.33763542    -13.93074262
  H     16.09507664      8.98218750    -15.43103035
  O     17.61995978     11.82150083    -10.47226237
  H     14.35841842      4.96050045    -15.23916036
  H     14.84612063     13.27040182    -14.82485776
  O     15.38468047      8.32885740    -15.36011230
  H     14.82426729      9.84869635     -8.12659444
  H     15.11272645     12.60859621    -13.45423238
  O     15.00618297     12.42915626    -14.40576517
  H     13.80319740     10.09250876     -6.99265187
  H     16.74096682      9.70633552    -12.17467439
  O     17.67719022      9.86180727    -12.37933649
  H     16.48985816      7.09892615     -9.94646250
  H     18.12068196      9.00683433    -12.32234347
          69
 Energy    -250.04948817484944     
  O      0.99592120      1.22335326      4.58135818
  H      1.48662959      1.19020725      5.39938259
  H     -1.96963141      3.18983678      0.94771565
  O      1.22542615     -0.85444510     -2.89106650
  H      0.08426345      0.95560429      4.79304633
  H     -2.07495327      1.57026621      5.19950527
  O     -0.97507814     -0.11794081     -1.31123287
  H      0.37377278     -0.57715549     -2.52375267
  H     -2.31450379      0.01885844      5.14564008
  O      1.79382456     -3.06397755     -1.41137224
  H      1.85878119     -0.17736158     -2.62441297
  H      0.11661626      4.57520441      0.35460374
  O      3.30065975     -1.15380762      0.14436950
  H     -0.44611086      0.48215469     -0.77175378
  H      0.20641487      3.05253349      0.61845655
  O     -4.50376792      2.48063128      3.21113970
  H     -1.88637249      0.20821736     -1.30719898
  H     -3.96590828      0.17395433     -0.38571908
  O     -2.45740690     -3.46392503      3.54619375
  H      2.17128109     -3.77098133     -1.92821838
  H     -3.36836580      1.58323669     -0.42953939
  O     -0.26569279      3.68602089      3.75906809
  H      1.61508391     -2.32964794     -2.02715878
  H     -1.88649706      0.47980832      3.19734930
  O      3.03324807      0.93437969     -1.55404445
  H      2.83231864     -0.90362665      0.95207241
  H     -1.29451579     -0.51295685      2.18183977
  O     -5.66185165      0.04297298      3.47219758
  H      2.82236248     -1.89707802     -0.24339837
  H      0.06100994     -2.99829077     -0.69126574
  O     -3.54401996     -1.20963450      4.94745288
  H     -3.94924377      2.84937598      3.90872456
  H     -0.93486911     -1.81401573     -0.69915614
  O     -2.72206972      2.59625787      1.04006423
  H     -4.01389659      2.62276209      2.39004197
  H      1.54138598      0.30901862      3.04837240
  O     -1.64991578      0.71781747      5.04241068
  H     -2.49344901     -4.34206107      3.91639041
  H      1.02503155     -0.94890485      2.31256081
  O     -0.19903143      3.88100412      0.92734823
  H     -2.79366453     -3.52969989      2.63380738
  H     -2.67447646      4.03293857      5.80007712
  O     -3.53815666      0.80561197     -0.97827368
  H      0.29340637      2.92876503      3.96952520
  H     -1.78409863      3.57698345      4.61877425
  O     -1.86441168      0.26162439      2.25693962
  H     -0.21360007      3.81050268      2.80354786
  H      1.60846980      1.42287064     -0.47939410
  O     -0.78437977     -2.69973324     -0.33509380
  H      3.86470727      1.31465260     -1.82268090
  H      1.10002024      0.92463622      0.90040070
  O      1.64362090     -0.20607503      2.23910741
  H      3.24114460      0.18879680     -0.96027010
  H     -0.94741952     -2.58154662      2.85353473
  O     -2.59276467      3.36891195      5.12094131
  H     -5.29100187      0.94089446      3.39346141
  H     -0.46327185     -2.37670033      1.38901425
  O      0.87778265      1.49267785      0.14915484
  H     -6.58438804      0.14535064      3.68926996
  H     -2.45753702     -3.32094192      0.37292684
  O     -0.33155764     -2.08343791      2.30334270
  H     -3.24506552     -1.99726469      4.47648847
  H     -3.69897494     -2.59109841      0.93535627
  O     -3.22244200     -3.43401577      0.95104426
  H     -4.31592403     -0.87335075      4.47523118
  H     -4.89866632     -0.63371814      1.88774636
  O     -4.23933713     -0.85343720      1.21906257
  H     -2.36554735      1.77682219      1.41998797
  H     -3.40691363     -0.49635064      1.56168267
          69
 Energy    -250.04910703024623     
  O     18.32981426     10.91457833    -16.12027149
  H     17.47507420     11.24986432    -16.41335093
  H     17.74457697      7.73546043    -16.44525056
  O     16.02715607      5.32510549    -16.24289038
  H     18.13726169     10.08776272    -15.65508607
  H     16.91565487      5.92198020    -13.00457449
  O     15.90159207     12.13491524     -9.77443407
  H     16.44783234      5.22059933    -15.37949674
  H     17.57409477      6.59326276    -14.21349091
  O     19.90766018      8.32686733    -12.99449961
  H     16.64150302      5.85833336    -16.76636345
  H     20.90495854     11.02448727    -13.78209601
  O     15.43289277      8.90822671    -17.55939058
  H     16.09671364     11.26982480     -9.37103130
  H     22.41546718     10.77202588    -13.53974160
  O     14.03796752      8.37711577    -10.15645084
  H     15.95295645     12.78430365     -9.07887217
  H     18.47271401      8.52063294    -14.11588296
  O     15.16985765      8.43192965    -13.94355428
  H     20.15694365      7.47201522    -13.37682415
  H     16.90527671      8.57083317    -14.42198565
  O     17.22855389     11.50606008    -12.18171934
  H     20.58193837      8.97425017    -13.23347341
  H     15.51103353     10.57026985    -17.04480037
  O     20.23502353      5.96194818    -14.32390075
  H     16.23917540      8.39516190    -17.69872857
  H     15.23550782     12.06107966    -17.35187830
  O     13.94033975      7.01093711    -16.00081655
  H     14.81577213      8.31044439    -17.12126338
  H     15.24734569      7.30423134    -11.11730992
  O     20.51790145      6.88349453    -17.04967085
  H     13.20413356      8.17014842     -9.74259629
  H     16.69748725      7.64942615    -11.51318410
  O     17.74965759      7.28519141    -17.30381719
  H     13.91661806      9.22541527    -10.61894326
  H     15.57653682      9.09422497     -9.19515556
  O     17.40390676      5.73020055    -13.81489808
  H     14.67360932      7.91980738    -14.59470910
  H     17.04792269      9.29096022     -9.59604270
  O     21.61749884     10.36289743    -13.86192646
  H     15.31955059      7.88474346    -13.16118888
  H     17.67923576      9.82895122    -11.59007974
  O     17.79098572      8.48504898    -14.80167798
  H     16.85434713     11.87204451    -11.37069375
  H     18.71785649      8.68364828    -11.69555861
  O     15.61503740     11.47624938    -16.70115872
  H     16.50408582     11.44289007    -12.82032259
  H     14.10619999     11.04372335    -12.24124981
  O     15.96884349      7.03648019    -11.70094494
  H     20.30377682      6.16114074    -15.26632938
  H     14.43871056     11.40346385    -10.78346949
  O     16.37584540      9.58332816     -8.96455710
  H     19.36391764      5.57509247    -14.17583878
  H     21.20800860      9.79264854    -15.64116304
  O     17.90955126      8.95628445    -11.24088044
  H     14.62133151      6.32194894    -16.10957634
  H     20.01616016     10.08644938    -16.56734406
  O     13.86760386     10.84625766    -11.32766954
  H     13.09772993      6.60034557    -16.17262123
  H     15.19295918     11.40661564    -14.83441161
  O     20.79693069      9.52685482    -16.47284825
  H     21.23074466      6.60433545    -17.61829332
  H     15.02904196     10.17766497    -13.91594045
  O     15.07239400     11.14741644    -13.91411632
  H     20.66181303      7.82940079    -16.86507298
  H     18.76176157     11.91083146    -13.15062662
  O     19.47881812     11.98912982    -13.79276076
  H     18.67452605      7.05250242    -17.44621629
  H     19.08365466     11.78820067    -14.65206530
          69
 Energy    -250.04905938012200     
  O     12.72264606     12.00862601    -14.66949201
  H     12.84663037     11.28728634    -15.30101694
  H     13.39279568      6.55478773    -16.12847383
  O     15.27137177      6.63848490    -13.58821702
  H     12.18452522     11.65013327    -13.95395200
  H     18.23786658      6.78772289    -14.20220757
  O     17.17501747      9.88291543    -10.69224057
  H     16.20602391      6.61747454    -13.34837763
  H     18.48217494      7.67884558    -12.97768656
  O     18.10841241      9.81071673    -15.09450202
  H     14.75165782      6.85950690    -12.80242382
  H     17.27436488     11.20988273    -16.00559316
  O     11.80678587      7.62822585    -15.94216773
  H     16.67819878     10.41011213    -11.33537576
  H     16.17638055     12.28504116    -15.80337985
  O     15.17402348      9.48944883     -8.84248551
  H     16.60361607      9.81401288     -9.91368220
  H     16.30768336      9.40516104    -14.77203772
  O     13.63422077      7.49973079    -11.51521797
  H     18.36073249      8.97178783    -15.50312349
  H     15.33760221      8.32966663    -14.19168857
  O     15.59688114     11.18891535    -12.54173109
  H     18.50566225      9.81766354    -14.21482785
  H     11.22210453      9.81285071    -12.82802209
  O     16.30900820      7.58842050    -17.45121349
  H     12.31900704      8.43562689    -16.12180402
  H     10.32071733     10.96568261    -12.32413620
  O     14.89515411      6.61668905     -9.17110383
  H     11.10461657      7.59669210    -16.58734456
  H     17.19388619      7.97788249    -10.59669602
  O     18.53109900      7.19003730    -16.03177430
  H     14.47562422      9.82717330     -9.42017858
  H     17.55588227      6.70953335    -11.38677626
  O     14.29188383      6.21131581    -16.17213380
  H     15.01510793      8.54117955     -8.76765783
  H     12.11363118      7.72372429    -12.64807508
  O     18.07640481      6.84549218    -13.25140287
  H     13.92600388      7.09090284    -10.69102160
  H     11.54051230      7.84491976    -14.08951366
  O     16.64552224     11.77527409    -16.47431128
  H     13.61632827      8.45317002    -11.35062128
  H     18.52239200      9.62384269    -11.78962907
  O     15.40884128      9.25737871    -14.45102706
  H     15.47342551     10.47055638    -13.18239958
  H     20.02411033      9.53404982    -12.13940153
  O     11.21331670     10.75756706    -12.58706890
  H     15.53739702     12.00407035    -13.05194146
  H     15.82181855     10.81089655    -17.66771837
  O     17.19490279      7.01243786    -10.54690944
  H     15.96791323      8.42858270    -17.77242155
  H     15.42812893     10.55141839    -19.14126427
  O     11.41721383      8.13274271    -13.17698483
  H     15.56063870      7.09251023    -17.08457924
  H     14.18951805     10.68860525    -11.50195456
  O     19.15017111      9.39280193    -12.49515639
  H     14.93315677      5.88360213     -8.56335022
  H     12.65601370     10.51505354    -11.41488717
  O     15.33491180     10.20681312    -18.25745695
  H     15.75500426      6.64932940     -9.62909018
  H     14.24545822     12.82465386    -14.53660259
  O     13.48546204     10.26468419    -10.99106617
  H     17.72634252      7.27982231    -16.57670029
  H     15.05793517     14.13904269    -14.44406405
  O     15.14556835     13.18968964    -14.45028482
  H     19.18479702      6.76460997    -16.57951793
  H     13.91973696      9.97275462    -17.08256638
  O     13.42224552      9.81114683    -16.27175096
  H     14.61168090      6.20059444    -15.25906364
  H     14.08901256      9.60650095    -15.59646482
          69
 Energy    -250.04864048573438     
  O     11.61441924      9.94449385    -13.83194592
  H     11.82171971     10.76216943    -13.36475793
  H     13.69731992     13.27735097    -15.43488341
  O     17.34716439     10.72233664    -11.07393500
  H     12.00825489     10.02707872    -14.71160322
  H     15.96959983     10.05469709    -14.87229541
  O     16.71963857     13.78603781    -14.57114871
  H     16.39691041     10.84598877    -11.21566610
  H     15.11628974      8.93574646    -14.21573752
  O     15.05750087      8.08622690    -16.90112161
  H     17.47410269     10.47651430    -10.14957399
  H     11.44026700      6.98141329    -12.81923571
  O     15.64884677      7.80555334     -8.56441989
  H     17.15477051     14.62303855    -14.42944600
  H     11.95254273      8.39829153    -13.17422154
  O     16.09641825      6.63335844    -11.92325277
  H     17.28403850     13.10952494    -14.15804755
  H     19.01315375      7.80875431    -10.70958197
  O     14.68057264     10.82794299    -11.74957404
  H     14.94696246      7.54636718    -16.10754297
  H     18.77734468      8.28370657     -9.26700647
  O     16.29897623     12.55046181    -17.10143969
  H     14.32537794      8.71599153    -16.87361838
  H     13.77105355      7.18389951    -13.86070374
  O     17.21299736      5.59503470     -9.55741523
  H     14.98691999      7.96340853     -9.25126573
  H     15.23146181      6.77993260    -13.55444288
  O     17.03348042      9.97091193    -16.40146947
  H     16.06949293      6.96570671     -8.78544180
  H     18.04868613     11.57662749    -12.57309922
  O     19.18624949      9.40169274    -14.68697451
  H     15.41970557      7.21041532    -11.53720957
  H     18.67247920     11.14371322    -13.92051344
  O     13.89359948     13.45773947    -14.50793197
  H     16.44885687      6.10626108    -11.19633077
  H     17.48907298      7.75734223    -12.29616226
  O     15.29309424      9.88721386    -14.20441549
  H     14.91835053     10.54576283    -12.64959800
  H     17.88692282      9.21437727    -11.93115164
  O     12.22150205      7.52752391    -12.82804807
  H     13.91822090     11.40980499    -11.84384722
  H     16.88940427      9.03087279     -8.46029820
  O     19.10923302      7.54043397     -9.78638994
  H     16.53245535     13.03902658    -16.30244914
  H     17.72787400     10.02701395     -7.62298982
  O     14.65700279      7.13915520    -14.24372845
  H     16.61759725     11.64694981    -16.96282888
  H     13.32765823     13.15813218    -18.04188533
  O     18.29949871     11.89647910    -13.44999007
  H     17.96714534      6.21050952     -9.59415957
  H     14.59258405     12.66154652    -17.29818509
  O     18.20770033      8.40134079    -12.34915380
  H     17.53916556      4.77857418     -9.18952530
  H     13.36498829      7.97129301    -11.41730401
  O     17.64316943      9.64733033     -8.49335060
  H     17.82301324      9.64830585    -15.95101752
  H     14.26934996      9.18908545    -11.09794111
  O     13.61951132     12.71192221    -17.25232654
  H     16.48711225      9.21929642    -16.67730233
  H     12.95889188     12.78514411    -13.23959107
  O     14.09680810      8.26646499    -10.86133786
  H     20.09963886      9.15410651    -14.80666866
  H     11.90114486     13.01551941    -12.13299260
  O     12.46447259     12.35097205    -12.51949200
  H     18.87748824      8.95258871    -13.88164760
  H     13.90574708     10.20625741    -15.43615066
  O     13.21290134     10.17941588    -16.11222360
  H     14.85020558     13.57671924    -14.45468265
  H     13.26293125     11.01930009    -16.58573610
          69
 Ord_Energy   -250.048355    
 O    3.72257018       1.15521979      -1.43744099    
 H    2.77521157       1.04098403      -1.60771048    
 H    4.14015055       1.21444583      -2.30427837    
 O    3.30389261      -5.00646496      -2.87452674    
 H    3.13811564      -4.14532328      -2.45765901    
 H    3.47532701      -4.80088425      -3.80246687    
 O    3.50990820      -4.60031605       1.23220706    
 H    2.61097240      -4.91122580       1.07591414    
 H    3.41703391      -3.73433518       1.64806724    
 O   0.992260039      0.913558960      -1.97619736    
 H   0.586705029       1.46791065      -1.29911387    
 H   0.671892464       1.16193304E-02  -1.81898487    
 O    1.88908577      0.197698265      -4.53514194    
 H    2.80523443      0.496211976      -4.51186943    
 H    1.48127711      0.542658150      -3.72955656    
 O   0.256484360      -1.67126226      -1.55365837    
 H  -0.152894452      -2.31442404      -2.14360023    
 H   0.242271751      -2.01053810     -0.646738052    
 O    1.85834300E-02   2.23394871      0.291285694    
 H  -0.112150878       1.46434963      0.874766052    
 H  -0.681643665       2.85037088      0.486787349    
 O    1.15393448      -2.24703312      -5.43539190    
 H    1.41615236      -1.36935437      -5.10427904    
 H   0.955593586      -2.13521385      -6.36261177    
 O    4.64667130      0.874051809      -4.10916948    
 H    5.29486227       1.25289071      -4.69679117    
 H    4.86457348      -7.01385364E-02  -4.01632833    
 O    5.01808834      -1.78445947      -3.66642261    
 H    4.18831062      -1.96133745      -3.19462824    
 H    5.71960592      -2.05557609      -3.06086540    
 O    3.67880034      -3.71382403      -5.32369328    
 H    4.29106283      -3.07156801      -4.94268370    
 H    2.83183908      -3.25594187      -5.38251257    
 O    6.64898968      -2.54231644      -1.49746025    
 H    6.20632601      -3.38301158      -1.27007532    
 H    7.57697773      -2.66423464      -1.31994247    
 O   0.737065732      -5.50992489      -1.96862078    
 H    1.64358246      -5.51808929      -2.30882168    
 H   0.253796011      -4.90085077      -2.53681064    
 O    2.91428471      -2.40657568      -1.98965418    
 H    1.99948061      -2.13309908      -1.86293840    
 H    3.42441845      -2.07552099      -1.23939133    
 O    2.44694400      0.572119951       3.18844771    
 H    2.71860528       1.00971520       3.99057150    
 H    2.65547562       1.17611396       2.45323586    
 O    3.04380798      -1.89007521       1.97050595    
 H    2.89941549      -1.11232662       2.52204990    
 H    3.65424037      -1.61463213       1.26944327    
 O   0.731872916      -5.27828121      0.725491107    
 H   0.357908189      -6.06815767       1.10665405    
 H   0.714404106      -5.39808035     -0.240741685    
 O  -0.515782654      -3.46956539      -3.57233191    
 H   -1.36026013      -3.59987855      -3.99774504    
 H    7.69551620E-02  -3.08749890      -4.23970747    
 O    5.28724337      -4.76210260     -0.893134534    
 H    4.73272038      -4.75175333      -9.89227965E-02
 H    4.71403837      -5.05227375      -1.61354482    
 O    4.60098505      -1.13990772     -0.145051926    
 H    4.39435196     -0.302386075     -0.584038734    
 H    5.40035534      -1.50961363     -0.539575577    
 O    2.78743243       2.21370769       1.04326069    
 H    3.25970936       1.96513426      0.239482298    
 H    1.87464547       2.37784195      0.773342609    
 O   0.494325459      -2.51496577       1.04718328    
 H    1.38743997      -2.29575586       1.35332990    
 H   0.450963259      -3.47915363       1.01441193    
 O  -0.105712533      0.107640423       1.97368896    
 H   -8.48149136E-02 -0.815887332       1.69405842    
 H   0.678471863      0.235120341       2.52315426    
          69
 Energy    -250.04835441599306     
  O     14.91124993      9.51303042    -10.50419848
  H     14.77806314     10.17254065    -11.19546046
  H     18.17646126      5.36900702    -10.68094303
  O     13.32098399     10.80338427    -16.16865831
  H     14.04054896      9.15161854    -10.26871328
  H     12.25329162      7.72681605    -10.71325404
  O     17.18042087     10.35299581    -13.73974010
  H     13.00712945     10.17132636    -15.50926083
  H     13.00488232      7.42610913     -9.38589235
  O     13.16617360      4.89658275    -12.74400600
  H     13.46967394     11.63035096    -15.69319696
  H     18.32082662      7.51420249    -15.41054164
  O     16.30205990      7.94761147     -8.63285736
  H     17.65777083      9.75789244    -13.14926340
  H     19.74701689      6.92240728    -15.47689059
  O     16.64980691     12.33369636    -15.69890174
  H     16.29949438     10.49842355    -13.36545206
  H     15.12640300     12.92420334    -15.03251088
  O     15.72646304      7.39868250    -12.11855729
  H     13.76407540      4.82042802    -11.98672005
  H     14.09516440     13.99873023    -14.60630799
  O     14.56808500     10.89255274    -12.87465169
  H     13.70020072      4.68132740    -13.51648337
  H     12.32718724      8.45666927    -13.45692475
  O     18.34041618      8.12587887    -12.42968165
  H     15.94341185      8.62768927     -9.22048104
  H     13.54583764      8.38001673    -14.39519382
  O     17.47898197      4.69013973    -13.93720377
  H     17.13615380      7.65656285     -9.01873275
  H     15.43556252     10.50103134    -18.50709745
  O     14.99060538      4.53165275    -14.92333033
  H     16.42112082     11.75427000    -16.43602660
  H     14.75353331     10.48607723    -17.11902244
  O     17.79803611      4.63735934    -11.17976978
  H     17.02391764     11.75865056    -15.01755958
  H     10.69178383      6.80143248    -12.41799227
  O     12.64030504      8.13565009     -9.92971416
  H     15.33064724      7.38781902    -12.99835393
  H     12.14361533      6.28694051    -12.53913109
  O     18.95992681      6.95519200    -14.93847545
  H     15.36682458      8.13738077    -11.60801219
  H     14.04584778      6.02911774     -7.44107204
  O     14.24229177     13.05797699    -14.64646819
  H     13.94505932     10.24215225    -13.23130093
  H     14.96045779      6.87442946     -8.36008349
  O     12.88680291      8.99220364    -14.03092300
  H     14.40048260     11.72141235    -13.33816525
  H     15.33174213      5.89527613    -11.19363152
  O     15.60834148     10.38828373    -17.57634943
  H     17.43364030      7.79104873    -12.32158145
  H     14.73501843      5.37162328     -9.86067878
  O     11.60298456      7.08169451    -12.38179275
  H     18.70066323      7.69769535    -13.21535017
  H     18.72458776      7.53453787    -10.77301454
  O     14.17909373      6.29104980     -8.34770412
  H     18.04633119      5.38613874    -14.28338062
  H     19.60868903      7.24948717     -9.53911238
  O     15.06526650      5.08925954    -10.72224549
  H     17.65369881      4.62971908    -12.98632965
  H     14.87192965      6.34619328    -14.94999145
  O     18.74113111      7.09645359     -9.90635713
  H     15.89058905      4.52257212    -14.54664510
  H     15.61512942      7.68785283    -15.26917050
  O     14.86652266      7.30034923    -14.79934611
  H     14.95276915      3.82646448    -15.56300340
  H     16.60415570      9.16360442    -16.62617394
  O     17.03020668      8.66128935    -15.92027980
  H     16.86515553      4.60766555    -10.92501249
  H     17.09837819      9.26366439    -15.16257031
          69
 Energy    -250.04792032929379     
  O      0.82526714      0.07670047      5.07764947
  H     -0.13579727     -0.06815585      5.08924899
  H     -2.78858601      4.57730043      0.56277676
  O      1.70938274     -0.54962670     -2.76771348
  H      1.15387153     -0.21704276      5.92441011
  H     -1.97003048      0.05050528      3.97661592
  O     -0.57233883      0.21926726     -1.24571508
  H      0.86402000     -0.20187951     -2.45392527
  H     -2.21495121      0.85489999      5.27407534
  O      1.69056291     -3.15883538     -1.56103317
  H      1.70618223     -1.48650549     -2.53444905
  H      0.21483256      2.22900551      1.31635679
  O      3.18485809     -1.94462973      0.36123215
  H      0.05444406      0.51385627     -0.57102692
  H     -0.27875946      2.80555952      2.68274565
  O     -4.07931607      2.80115204      3.25418063
  H     -0.76462777     -0.70884382     -1.05429879
  H     -2.18883277      1.15843546     -1.22948205
  O     -3.00199236     -3.58666637      2.55378326
  H      2.10410446     -3.97351520     -1.83369892
  H     -3.00472466      2.29699885     -0.55070159
  O      0.06550103      2.79752052      4.41477401
  H      2.23539253     -2.79560306     -0.83959282
  H     -1.45688644      1.05329175      1.99258711
  O      3.53545504      0.52556799     -1.06409258
  H      2.79812708     -1.69310175      1.20964588
  H     -2.63943032      0.08131414      1.64596155
  O     -5.58363768      0.43834716      2.78095888
  H      3.47299992     -1.12261585     -0.05510234
  H     -0.05036020     -2.84341105     -1.01746328
  O     -4.16596128     -1.65541859      4.20622835
  H     -4.63623709      2.02736571      3.10069617
  H     -0.73072701     -2.48988913      0.33309107
  O     -2.84767481      3.65297915      0.79229092
  H     -3.76607249      3.09979367      2.39286908
  H      0.92632152     -1.57022577      2.42380001
  O     -1.93902662     -0.01055165      4.94501475
  H     -3.37144061     -3.46432984      1.67328400
  H      1.54578128     -0.59585160      3.44475436
  O     -0.52828854      2.66222772      1.75723301
  H     -3.48248619     -2.98567767      3.14360651
  H     -3.00508483      3.16065683      6.18465167
  O     -3.08358183      1.49667792     -1.08395420
  H      0.45635947      1.95674344      4.68018828
  H     -3.12784575      2.77069123      4.69228588
  O     -1.85139181      0.19643941      2.19163999
  H     -0.79083307      2.84723065      4.85998603
  H      2.16103502      1.00873198      0.09624109
  O     -0.87192138     -2.52264805     -0.62626081
  H      4.24705271      0.99014260     -1.49516082
  H      1.47866085      0.35958568      1.33080855
  O      1.68015801     -0.97691943      2.56949796
  H      2.94867067      0.18917933     -1.76540376
  H     -1.38060473     -2.86668599      2.36439639
  O     -2.57269589      2.67505015      5.48786059
  H     -5.14741624      0.15328124      1.95849988
  H     -1.04562263     -1.37505484      2.12491500
  O      1.36788678      1.03301512      0.64474354
  H     -6.52364923      0.38794653      2.62540649
  H     -2.63499265     -2.83347690     -0.49284625
  O     -0.66910036     -2.26867549      2.09254915
  H     -3.44432193     -1.19814852      4.65492929
  H     -3.97432783     -3.47516015     -0.91720335
  O     -3.57578544     -2.90868388     -0.26109581
  H     -4.71065850     -0.96073902      3.81901408
  H     -3.86592935      0.31345726     -0.07483177
  O     -4.13624960     -0.30826470      0.61947038
  H     -1.96739156      3.38703350      1.11331104
  H     -4.02128300     -1.20656292      0.28814732
          69
 Energy    -250.04748931719405     
  O     -6.47311204     -0.04081148     -0.16106123
  H     -7.03243219     -0.62316737     -0.66809883
  H     -5.92020174      0.51388173      2.86607081
  O     -3.07813140      4.09365725      5.50629485
  H     -5.57092354     -0.40618104     -0.21592662
  H     -0.75230583      1.64086515      1.08551760
  O     -6.92829451      4.75720486      0.28497091
  H     -3.56524275      3.46158727      6.04916108
  H     -0.82254711      0.57951576     -0.03124552
  O     -1.78242239      0.51432713     -1.63210273
  H     -2.27542910      3.64759424      5.21155597
  H     -4.32248684      5.71169560      1.75826124
  O     -2.28368567     -1.27731108      1.89209858
  H     -7.59411023      4.99112582     -0.35673556
  H     -5.23295521      5.72238138      0.52948922
  O     -3.92373558      2.55194163      1.83560354
  H     -6.46134600      3.97826030     -0.06426471
  H     -3.63272834     -0.38159924      2.71305665
  O     -4.55107100      4.80563726      3.31976142
  H     -2.18921939      1.39685539     -1.70416818
  H     -3.76966056      0.30823818      4.08872194
  O     -5.46750484      2.56000852     -0.42693871
  H     -1.46202348      0.28750973     -2.50116893
  H     -6.98269328      1.30118114      4.60476227
  O     -4.63771093      2.09635321      6.85156222
  H     -1.69418266     -0.60077157      1.53264472
  H     -7.04219479      2.80581881      4.72416351
  O     -2.99416935      2.92372101     -1.74449624
  H     -1.89531866     -1.54464527      2.73790886
  H     -1.36042110      4.01552821      0.93395529
  O     -3.91937125     -0.92358883     -0.34625903
  H     -4.15709871      3.31404341      2.38474423
  H     -2.26489578      2.96764979      1.60080878
  O     -6.79961856      0.80524979      2.57876602
  H     -4.02640071      1.74764445      2.35982313
  H     -2.13012973      1.29865004      5.10037606
  O     -0.52982887      0.72059799      0.87793973
  H     -4.08035895      4.64288453      4.14958631
  H     -3.30994987      1.04949224      6.08670303
  O     -4.34564619      5.95638118      0.82119156
  H     -5.45873975      4.48040113      3.38990737
  H     -0.28332410      1.86969434      4.11039028
  O     -4.21032797      0.18825797      3.23776235
  H     -5.89019467      1.69335364     -0.45886670
  H     -1.12320296      2.91197213      3.37062274
  O     -6.85340675      2.01271993      5.24130389
  H     -4.90276912      2.55897098      0.36372157
  H     -7.15108171      4.07978056      2.07944130
  O     -1.34346853      3.27202727      1.54603413
  H     -4.92649756      2.12001254      7.76035874
  H     -6.96161513      2.68390600      2.72220314
  O     -2.68271340      0.61050703      5.49865408
  H     -5.44120400      2.05420380      6.30529412
  H     -0.32356736     -0.90100435      4.12057934
  O     -1.00306031      2.50001007      4.23749702
  H     -3.90258760      2.84316492     -1.42574248
  H     -1.63512045     -0.89319930      4.91914337
  O     -7.04386347      3.62830681      2.92488996
  H     -2.63622723      3.72640131     -1.34694911
  H      1.75211821      0.41899214      3.22198111
  O     -1.07546995     -1.45425405      4.36596769
  H     -3.26354904     -0.45790309     -0.87816854
  H      0.44139279      0.49755065      2.41059215
  O      0.80354947      0.47355089      3.31148940
  H     -3.43305687     -1.25250767      0.42109884
  H     -1.60461344      6.01074155     -0.73218304
  O     -2.02184803      5.23665605     -0.36407924
  H     -6.87372540      0.49452055      1.66994691
  H     -2.85493166      5.53686187      0.04295551
          69
 Ord_Energy   -250.047485    
 O   -5.27942801       5.87957478       8.74927235    
 H   -6.21667433       5.89840555       8.48328590    
 H   -5.25543165       6.06279898       9.68480968    
 O   -2.75755978       4.67072630       5.91024160    
 H   -2.08242893       4.90923595       5.25831890    
 H   -3.21290469       5.49395227       6.13247347    
 O   -1.26517665       5.69749451       3.82945776    
 H   -1.51079905       6.61378145       4.00763226    
 H   -1.77802634       5.44277477       3.05093503    
 O   -6.25404310       2.01910853       1.04533100    
 H   -5.92354298       1.58776069       1.84087884    
 H   -7.17961740       2.19195461       1.25867820    
 O   -10.0857401       5.96643400       4.37931252    
 H   -9.54738045       5.88690662       3.57784438    
 H   -10.3499269       5.06400537       4.58665562    
 O   -8.93624401       7.73461485       6.07492590    
 H   -9.39016819       7.11901379       5.47092485    
 H   -9.54734421       8.44538784       6.24856472    
 O   -6.38345242       6.32581758      0.747448444    
 H   -5.86095142       5.61538696      0.355307609    
 H   -5.77995586       6.85118198       1.28592622    
 O   -4.32089376       3.58657146       3.89747000    
 H   -3.95030355       4.04126310       3.13024545    
 H   -3.78349566       3.85379243       4.65474892    
 O   -6.12536383       1.52197254       3.92392159    
 H   -5.42147970       2.18790364       3.88037372    
 H   -6.20495415       1.31337571       4.86101770    
 O   -4.08069038       7.11382055       6.52407217    
 H   -4.39308596       6.78261566       7.37549353    
 H   -4.87860918       7.31687737       6.01263332    
 O   -8.49419880       2.53712797       2.69624686    
 H   -7.73138237       2.19741392       3.18863320    
 H   -9.21029854       2.63194537       3.33524537    
 O   -4.49293756       3.33819413       7.64910698    
 H   -3.75271058       3.63739252       7.10498238    
 H   -4.80210972       4.12783861       8.10820198    
 O   -6.21772575       1.42743671       6.80690813    
 H   -5.55950403       2.07918668       7.11090755    
 H   -6.12742090      0.666507602       7.37426758    
 O   -3.27827573       5.16081142       1.88296044    
 H   -3.70344973       4.79223585       1.09854078    
 H   -3.77183318       5.95562124       2.13234639    
 O   -6.34138536       7.50036001       4.98849487    
 H   -7.18752909       7.80548763       5.33296442    
 H   -6.44092369       6.53890133       4.88669443    
 O   -6.68522024       4.86667538       4.53502655    
 H   -5.86662102       4.42678642       4.27304649    
 H   -7.23644018       4.99324179       3.74956441    
 O   -4.62482357       7.48811769       2.75038695    
 H   -3.84171295       7.85955667       3.17493963    
 H   -5.32013130       7.55390978       3.41959310    
 O   -8.33770657       5.29646397       2.35328674    
 H   -7.72294903       5.65460205       1.69717884    
 H   -8.40870762       4.33838224       2.24558258    
 O   -10.3089628       3.11574864       4.84770489    
 H   -9.57954216       3.19334984       5.48698950    
 H   -10.9988785       2.61445665       5.27495193    
 O   -8.09901333       3.46575975       6.41678381    
 H   -7.54925966       2.70690489       6.64631939    
 H   -7.59615993       3.97881746       5.76258135    
 O   -7.85048580       5.84056854       7.92812490    
 H   -8.24692535       6.51576519       7.36473608    
 H   -8.04336739       4.99035025       7.51190042    
 O   -4.86783981       4.06005049     -0.147242814    
 H   -5.34758711       3.31502843      0.253471375    
 H   -4.69343519       3.81684446      -1.05294836    
 O   -2.49180293       8.22230530       4.52212524    
 H   -2.96932292       7.90076017       5.30438614    
 H   -2.08948994       9.05123615       4.77069855    
          69
 Energy    -250.04711497854225     
  O     13.83551219     13.44690742     -9.58341074
  H     13.69208206     12.48390029     -9.60431963
  H     12.94215518     14.30476678    -15.56182108
  O     13.99932625     12.15316515    -17.88731502
  H     13.45996039     13.76156383     -8.76495261
  H     10.99724838     14.55091150    -13.92423362
  O     16.01295807      8.78538238    -11.93252600
  H     13.82234789     12.93890446    -17.33784937
  H     12.39478321     14.53937971    -13.25840701
  O     15.89995924     16.00630628    -12.52443814
  H     13.59266744     12.31076250    -18.73468944
  H     18.85850731     13.24553970    -14.49705811
  O     13.76964709     10.20988425    -15.88238068
  H     15.07767093      9.02936559    -12.00722914
  H     18.66779706     12.09233062    -13.50019612
  O     15.96911829      7.08138470    -14.12584281
  H     16.30793056      9.13286465    -11.08187371
  H     14.63849245     10.44377459     -9.46696513
  O     15.56441596     12.55801123    -13.19604050
  H     16.70992079     15.66186094    -12.13339482
  H     13.43820809     10.21628360    -10.39978610
  O     13.30002165      9.43320122    -12.08089356
  H     15.93940132     15.73273421    -13.45194771
  H     15.86533291     11.87000538    -17.61838869
  O     16.45807296      9.37333118    -15.74319681
  H     13.72723619     10.80485602    -16.64163018
  H     16.75193439     10.79775915    -16.95488766
  O     18.30018581     13.62655655    -16.26973253
  H     14.69502549      9.93646811    -15.81096093
  H     14.05289560      7.43361834    -14.36531141
  O     13.00399294     11.65761693    -13.64569799
  H     16.05273579      7.58938664    -13.30162113
  H     13.21751476      8.57333142    -14.97369547
  O     13.59217513     14.26031324    -16.27220664
  H     16.35021538      6.22307550    -13.95780813
  H     16.61175645     11.15616367     -9.93955708
  O     11.87409661     14.18630713    -14.00408848
  H     14.64614044     12.27361057    -13.29430026
  H     17.20155819     10.19436706     -8.88153088
  O     19.00194379     12.99570551    -13.57568826
  H     15.74164773     12.69233968    -12.25769973
  H     18.53940872     14.06798809    -12.27428322
  O     13.73193220     10.72656636     -9.63277656
  H     13.11178210      8.75147299    -12.74103029
  H     19.01684958     15.08379395    -11.21143017
  O     16.77513084     11.67097703    -17.36569579
  H     13.12949125     10.27419637    -12.53106938
  H     17.10663360      9.95758035    -12.92242973
  O     13.18030124      7.84387635    -14.34112746
  H     16.34821853      8.47810912    -15.40329756
  H     16.80310682     11.35461453    -13.48622915
  O     16.59161876     10.23961155     -9.61323802
  H     16.90565981      9.86146195    -15.03536430
  H     13.45593342     14.49934270    -11.13122541
  O     18.24557255     14.62140387    -11.52817713
  H     18.86054920     13.98489000    -16.95291299
  H     14.22604511     15.43617375    -12.09572795
  O     17.46053403     10.63932809    -13.50603482
  H     17.78743962     12.90719998    -16.68028640
  H     15.60697031     13.23239694    -10.11997335
  O     13.36437401     15.02538857    -11.93252715
  H     13.18893557     11.21042084    -14.48531930
  H     17.03764959     13.51675274    -10.72854518
  O     16.40184542     12.82807434    -10.49297183
  H     12.50025736     12.46127753    -13.82034908
  H     15.87380258     13.91142441    -14.34412937
  O     16.01568159     14.64423952    -14.96454742
  H     14.44012458     14.50279687    -15.87369699
  H     16.81583607     14.43044969    -15.45752066
          69
 Energy    -250.04698061151439     
  O     -1.93018853      5.17146644      4.31471743
  H     -1.47012123      4.85992224      3.52231285
  H     -1.18853289      1.79971976     -2.25049049
  O      0.77322750      0.81260372      0.41926551
  H     -1.62000480      4.60582403      5.03265018
  H     -5.08952691      5.47323272      4.19937324
  O     -1.15187587     -0.46898601      3.45863572
  H      0.55037896     -0.09971523      0.64781699
  H     -3.63032525      4.97856804      4.04783185
  O     -2.77931829     -3.56853614     -1.23269039
  H      0.09820760      1.10335677     -0.20446908
  H     -1.88729363      3.84659438      0.61258432
  O     -0.38580015     -1.64895482      1.07212279
  H     -1.63315016      0.31217375      3.14143325
  H     -3.37875027      3.52985786      0.35431380
  O     -5.44979839      0.25039087      4.57016509
  H     -0.79329473     -0.91398166      2.67885292
  H     -4.75006512      3.72715810      2.35222089
  O     -6.50487501      1.03563753      2.21497628
  H     -2.66437454     -2.61007067     -1.11519087
  H     -5.43599363      2.47549265      1.73555118
  O     -1.22485310      3.14920075      6.22251988
  H     -2.62679781     -3.75281223     -2.15581995
  H     -1.37638773      3.05363391      2.43846351
  O     -2.53121250     -0.90496524     -0.58394289
  H     -1.11827102     -1.36208200      0.50879866
  H      0.08231613      3.49617974      2.18896982
  O     -4.59610127     -0.81693700      1.24462318
  H     -0.49632079     -2.60474991      1.16922975
  H     -2.71076363     -1.36339810      3.75370940
  O     -3.56616957     -4.39307612      2.87759062
  H     -4.91629041      0.93750773      4.99052885
  H     -3.56412090     -2.65656287      3.56664885
  O     -1.39330419      1.52144229     -1.36140316
  H     -4.85663253     -0.49736370      4.41480930
  H      2.55241695      2.68624836      2.21155723
  O     -4.56458740      4.71885614      3.94561214
  H     -7.45161992      0.92501003      2.20937787
  H      1.37111496      1.85616552      1.65577194
  O     -2.51925615      3.60642087     -0.07934315
  H     -6.19323083      0.76946062      3.10024232
  H     -0.07681484      0.72348022      4.41682594
  O     -4.73638128      3.12641407      1.59461709
  H     -0.84431036      3.22246200      7.09356570
  H      0.87011996      1.86173654      3.99297875
  O     -0.83102555      3.80406031      2.15561514
  H     -0.63230879      2.57170794      5.70789315
  H     -4.15185054      3.18859973      4.98357511
  O     -3.61538947     -1.70533552      3.71997555
  H     -2.21884773     -0.04912130     -0.90260675
  H     -2.94803461      2.60739991      5.77916043
  O      1.63374540      2.47897723      2.35820908
  H     -3.27188171     -0.75885641      0.02292210
  H     -4.97699716     -2.62672475      0.78834763
  O      0.34921242      1.53094145      4.73440794
  H     -5.30315960     -0.19070913      1.43346880
  H     -4.29327968     -3.69366258     -0.08445520
  O     -3.77602056      2.37215159      5.33955890
  H     -4.22049828     -1.07596915      2.09907124
  H     -1.72550396     -4.18627636      0.29501911
  O     -4.90884937     -3.58096016      0.65135409
  H     -3.92183666     -5.18707599      3.26815074
  H     -1.94266397     -4.37209237      1.80575977
  O     -1.25726420     -4.25898626      1.13629432
  H     -4.11778804     -4.18851713      2.10122506
  H     -3.30423727      2.08419154      2.24821315
  O     -2.61883489      1.76488046      2.84703997
  H     -1.82564850      2.27789321     -0.92695762
  H     -2.96782548      1.90274651      3.73824166
          69
 Energy    -250.04679601084419     
  O     -1.91427972      4.11749844      4.03216923
  H     -2.25128939      4.00524659      4.91698083
  H     -1.59765413      4.79572677     -2.09959671
  O     -4.51204419      0.68533414     -1.04448111
  H     -0.94859853      3.99924357      4.08367748
  H     -1.12950968      2.36658886     -1.89258795
  O     -3.23392325      0.93403672     -3.66352150
  H     -4.47624447      1.58255719     -0.68975115
  H     -2.34021265      2.39088724     -2.84175101
  O     -3.74948858      6.12763252     -0.08499159
  H     -4.26182608      0.77186499     -1.97151609
  H      3.21240820      6.19937644      3.42975065
  O     -0.76274016      0.28088627      1.21038939
  H     -2.65773928      0.17748066     -3.46662023
  H      3.04337022      5.17990017      2.27744423
  O     -0.06416784      0.88036428     -1.44527208
  H     -3.59913778      0.78354335     -4.53193893
  H     -0.76128976      3.30153638      0.96221525
  O      0.78712476      6.91731856     -1.37476439
  H     -3.25791439      6.19322612      0.75418033
  H      0.10178475      4.58930929      0.98889091
  O      0.77412215      3.73625286      4.06064685
  H     -4.40157464      6.82270533     -0.07799715
  H     -3.14921598      3.20571658     -0.96563155
  O     -2.60767415     -1.22970560     -0.34308290
  H      0.05975529      0.53293074      1.64849085
  H     -3.97144859      4.29612954     -0.23537726
  O      1.44065383      1.72652301      2.18970786
  H     -1.39775216      0.97421009      1.44971943
  H     -2.24519181      5.58291377      2.87556391
  O      3.75807701      4.27465039      0.99610858
  H     -0.28465534      0.67351283     -0.52597230
  H     -1.36768755      6.42334172      1.92898503
  O     -1.57015921      5.74218332     -1.90798905
  H     -0.45061539      0.18096993     -1.98461823
  H     -2.27052442      3.03352619      2.56525607
  O     -1.83851624      2.93506723     -2.22177113
  H      0.90645857      7.68269379     -1.92949310
  H     -2.92740027      2.82060578      1.14941900
  O      2.56031954      5.70203053      2.94370778
  H     -0.07466953      6.52575463     -1.61316971
  H      1.15304964      6.29630787      1.90347567
  O      0.08369328      3.67322347      0.68159461
  H      1.38646575      4.42732123      3.78265554
  H      0.60771825      6.69104697      0.48299056
  O     -3.84853014      3.34188375     -0.30842294
  H      1.04249390      2.94088926      3.58139894
  H      1.71708928      5.26525282     -1.42581244
  O     -2.28667894      6.24094400      2.17236905
  H     -2.00550319     -0.85445249      0.31120966
  H      1.28738931      4.01818752     -0.63013256
  O     -2.24331455      2.50808923      1.75671394
  H     -3.34253402     -0.60526241     -0.44283521
  H     -1.95972253     -1.26444295     -1.92173620
  O      0.35542534      6.39870521      1.36827668
  H      1.06200531      2.42177482      1.62932423
  H     -1.25123230     -1.97290026     -3.10637321
  O      1.99058913      4.36971161     -1.19955009
  H      2.32162106      1.54540749      1.84105809
  H      3.49134497      1.43999590     -0.02956511
  O     -1.57441503     -1.12744713     -2.80884285
  H      3.95305908      3.33133857      1.04066690
  H      4.62064446      0.80264539      0.81664941
  O      3.90309640      1.42835097      0.85429077
  H      3.25120327      4.39565483      0.18181276
  H      1.72205654      1.31480265     -1.54866681
  O      2.62163971      1.66753532     -1.51556719
  H     -2.32870151      5.92886422     -1.34212122
  H      2.52337521      2.62391276     -1.61759409
          69
 Energy    -250.04656993280679     
  O     -2.54169526      4.20324897      3.76322467
  H     -3.22998861      4.48373186      4.36049668
  H      0.05456965      5.10676319     -1.72931302
  O     -4.20212244      2.32669748     -2.32726446
  H     -2.16379088      5.00973592      3.36749675
  H     -0.37653037      2.64702018     -1.87218613
  O     -2.20814365      2.40998985     -4.38806641
  H     -3.99224513      3.10455149     -1.79580378
  H     -1.14864009      3.25071098     -3.06550432
  O     -1.97095968      6.97844183     -0.17570299
  H     -3.65421150      2.40410129     -3.11889720
  H      1.25386993      3.46901367      4.70021344
  O     -1.86888749      0.30646021      0.63614541
  H     -2.19901012      2.43604297     -5.34057938
  H      2.40383462      4.07638005      5.53961915
  O      0.01640640      0.94075526     -1.37018299
  H     -1.99201293      1.49540166     -4.12827835
  H      0.31962306      2.29988596      1.81028382
  O      2.65598001      6.01036657      0.13333643
  H     -2.18811153      7.83474172     -0.53428229
  H     -0.73077889      3.18173066      1.13734383
  O     -0.26933760      2.64941286      4.63334860
  H     -1.15191679      6.68629038     -0.61802635
  H     -2.19107160      4.11206628     -1.34997001
  O     -3.76563268     -0.21084320     -1.40335200
  H     -2.19337459      1.17917211      0.91147083
  H     -2.80106202      5.35944415     -0.66207552
  O      0.04042136      0.66743781      2.66705213
  H     -2.52023185     -0.02925996      0.00859300
  H     -0.44888557      6.16457825      2.53163566
  O      3.44434346      2.22791263      2.75835257
  H      0.91985043      0.69624326     -1.12651683
  H     -1.63494133      6.59252119      1.63474155
  O      0.22456002      5.98959183     -1.37336868
  H     -0.56235183      0.70869663     -0.63280366
  H     -2.69509778      3.30379295      2.15918703
  O     -0.71745518      3.47841683     -2.23200497
  H      3.28289712      6.72274716      0.22776585
  H     -2.86246280      3.46136642      0.60336484
  O      2.10717971      3.93757221      4.64451942
  H      2.21390319      5.90562715      0.99359527
  H      0.84437597      4.61921975      2.01245277
  O      0.21830060      3.10662412      1.28646850
  H     -0.23706967      1.86862019      4.06338044
  H      1.63267491      5.07982627      3.25114877
  O     -2.98029609      4.44025101     -0.89112648
  H     -1.05963553      3.14191806      4.38290657
  H      1.82723270      3.10757322      0.41077182
  O     -1.40330360      6.31430475      2.52922344
  H     -4.58287275     -0.70192196     -1.42191340
  H      2.91691731      4.11798624      0.00207162
  O     -2.58117697      2.86260203      1.30865080
  H     -3.98047661      0.69690951     -1.68339543
  H     -0.94163049      0.20561784     -2.75684892
  O      1.25731300      5.39766752      2.42086807
  H     -0.60131715      0.33447112      2.02555444
  H     -2.39403680     -0.28629871     -2.79051679
  O      2.76369911      3.18206414      0.16919483
  H      0.87128575      0.19075886      2.54336198
  H      3.20610426     -0.96393625      2.68818170
  O     -1.65857063     -0.03605864     -3.36222010
  H      3.05364187      2.81810828      3.41266060
  H      2.99925072      0.56306330      2.52675468
  O      2.63655472     -0.31080683      2.29118768
  H      3.33563231      2.65133000      1.89640354
  H      2.62880311      0.06602831      0.38958107
  O      2.56413828      0.45768834     -0.48907315
  H      1.10041241      5.97920555     -0.97263824
  H      2.82325278      1.38371840     -0.38377349
          69
 Energy    -250.04649408908480     
  O     -8.18694132     -1.84129012      5.56338910
  H     -8.72423465     -1.03554629      5.53556866
  H     -4.17913553      0.96011672      1.51742029
  O     -8.58081611     -1.22534052      1.84179377
  H     -7.34079392     -1.59181499      5.94997841
  H     -7.08916445      0.94067407      4.19693019
  O     -8.19350296     -3.48199717      3.43699825
  H     -8.62742926     -2.06763568      2.31037982
  H     -6.20810597     -0.05825381      3.43579730
  O     -5.28353405      0.96987895      0.06271659
  H     -8.12546029     -0.61681248      2.44434491
  H     -5.16999175     -1.02191101      5.54862251
  O     -6.26845793      1.70840701      5.85108184
  H     -8.64313967     -4.29166198      3.66084122
  H     -4.99381273     -1.38481999      7.04272305
  O     -4.76175865      5.60079201      0.81703618
  H     -8.20252488     -2.92526610      4.23838898
  H     -1.97751734      3.57228961      1.98757512
  O     -9.89306525      1.11008192      0.98704271
  H     -5.61757563      0.07872691     -0.08885168
  H     -0.69317324      2.90848240      1.43200665
  O     -9.57352594      0.56896007      5.46984803
  H     -6.03845625      1.48794413      0.38385120
  H     -9.43736522      3.47724481      3.92413116
  O     -4.65307550     -1.01080822      3.86996895
  H     -7.01288788      2.09170741      6.33144077
  H     -8.13271608      4.31615948      3.77752550
  O     -3.79004773      3.34625577     -0.38156605
  H     -6.06374015      0.84620279      6.23299406
  H    -10.46918236      1.79732493      2.49017478
  O     -6.58604333     -1.56099312     -0.04798245
  H     -4.46663977      4.81175958      0.32850201
  H    -11.62781879      2.37176059      3.33144393
  O     -3.61718144      1.01008701      2.30412490
  H     -4.74466359      6.32682188      0.19922045
  H     -5.82560509     -2.61675201      1.40814677
  O     -6.99918367      0.48898069      3.35058432
  H     -9.62380218      0.20073925      1.17244823
  H     -6.45485107     -3.26493681      2.66019895
  O     -5.58417192     -0.95743122      6.42788206
  H     -9.06725155      1.60713358      0.89533915
  H     -8.87035891      3.47373919      7.52658011
  O     -1.64203441      2.82508378      1.45967187
  H     -9.32661653      1.28032389      6.07231474
  H     -8.66531455      3.39170024      5.99281596
  O     -8.81470546      4.04059504      4.40154376
  H     -9.99528751      1.00725110      4.72123156
  H     -3.46248098      4.28558351      3.42593252
  O    -10.69585666      2.16932536      3.35883949
  H     -4.12780377     -0.38398504      3.35459111
  H     -3.46135913      5.24590247      2.22343100
  O     -5.61336311     -2.99400029      2.26992615
  H     -4.87282859     -1.77034673      3.30887022
  H     -4.39448868      2.30427462      3.43047096
  O     -8.58170604      2.89392429      6.82818122
  H     -4.28851216      2.51999291     -0.41156673
  H     -5.19759794      2.60800170      4.72520815
  O     -2.87879381      4.80179804      2.85173976
  H     -2.97622231      3.14521509      0.09709981
  H     -7.24354270      1.65304136      2.02068470
  O     -4.71988172      3.01989273      3.99206058
  H     -6.93055616     -1.95721125     -0.84527651
  H     -7.18227422      3.14419894      1.62742750
  O     -7.36582779      2.26404878      1.27668062
  H     -7.34530476     -1.41967599      0.54209996
  H     -5.98299724      4.03140718      3.16949859
  O     -6.62202537      4.54555753      2.65189094
  H     -2.82986678      1.50776249      2.05190565
  H     -6.09976003      5.05511912      2.02041286
          69
 Energy    -250.04551359641692     
  O     15.99418104     13.08160594    -13.10626005
  H     16.47134137     12.88534796    -13.92187090
  H     18.78457967     11.38306644    -12.62702681
  O     16.01661376      7.08503874    -10.50428618
  H     16.56433996     12.78113385    -12.38813485
  H     15.78774080      9.33142175    -14.29520218
  O     18.73820790      8.39473003    -13.63370945
  H     15.74043127      6.72728598    -11.35823017
  H     15.91865649      9.27666280    -12.73318733
  O     11.94295353      8.48010693    -10.00495587
  H     15.29504738      6.88664870     -9.89246692
  H     12.90356916     13.58386655    -12.84901947
  O     12.25826365      8.68802167    -13.86288082
  H     17.77470005      8.49147262    -13.61177003
  H     14.28319005     12.90635218    -13.03437031
  O     15.84846210      9.83304850    -10.95453625
  H     19.08560968      9.29526895    -13.58227197
  H     13.16178937      5.67420152    -10.73726602
  O     15.81866448      7.72232848    -17.08904488
  H     12.36365945      9.20519630    -10.48595125
  H     13.65986490      5.62577556    -12.19640464
  O     10.73865150      7.02739709    -12.15897642
  H     11.37311700      8.04221712    -10.64986503
  H     12.61849373     10.22449096    -14.85753810
  O     17.89824051      6.68362250    -15.68511882
  H     12.72224652      8.07056054    -14.44801173
  H     13.06836429     11.67080768    -14.57115930
  O     13.65463068      6.88657497    -15.40770537
  H     11.61523007      8.16944505    -13.36553770
  H     18.74279070      7.09392183    -12.31841596
  O     17.49732196      4.69042144    -13.65762229
  H     15.95111301      8.91086203    -10.68306006
  H     17.84275612      6.62515031    -11.14384378
  O     19.20609630     11.09648854    -13.44652391
  H     14.90778961      9.99481825    -11.12198252
  H     15.44560407      7.07728701    -13.34878376
  O     15.98361898      8.75808874    -13.54408722
  H     15.90845824      7.46781514    -18.00372273
  H     15.93377725      5.58414669    -13.34313403
  O     13.32358799     12.74105782    -12.99675867
  H     16.58108821      7.34285015    -16.61627138
  H     13.04868351      7.30046402     -9.34803147
  O     12.89207173      5.45177027    -11.63685077
  H     11.46610330      6.39315446    -12.02419846
  H     13.41877610      6.31304125     -8.21499839
  O     13.04444828     10.99450462    -15.25884640
  H      9.94781054      6.51448266    -12.30094457
  H     16.78406185     11.49142967    -15.62885186
  O     18.51817816      6.33076141    -11.76500682
  H     18.36705116      7.30928854    -15.11560221
  H     17.62884481     12.64954760    -16.20869306
  O     15.19835368      6.16749791    -13.11299486
  H     17.79021672      5.89049992    -15.14796316
  H     13.21027682     11.13934055    -12.08588006
  O     13.65505481      6.57945585     -9.09925602
  H     14.12703683      6.41737175    -14.71018971
  H     12.99778013      9.66007546    -12.49796517
  O     17.41004184     12.19887330    -15.39708618
  H     14.32755370      7.14650580    -16.04854966
  H     17.96758113     12.12694053    -10.29228258
  O     13.25941978     10.23154511    -11.76086622
  H     17.94961982      5.19323247    -12.95503302
  H     17.03634462     11.12432488    -11.01291171
  O     17.64944794     11.86647474    -11.15281486
  H     17.77388843      3.78245010    -13.57222467
  H     14.65653535     10.51262237    -15.76467299
  O     15.58106045     10.23850170    -15.87394046
  H     18.69145105     11.49791346    -14.15774819
  H     15.61575876      9.43586558    -16.40855785
          69
 Energy    -250.04543391478558     
  O      9.62137888     11.36190662    -11.43685779
  H      8.83677105     11.89358624    -11.54487771
  H     15.88541681     12.33733672    -15.59007810
  O     14.82773113      9.31217279    -15.06342201
  H     10.25266496     11.65203154    -12.11707053
  H     14.95432228      9.12101551     -9.69944214
  O      9.95017230      8.55652564    -11.87467225
  H     15.09653413      9.82149044    -15.83716112
  H     16.18580765     10.04717614     -9.59786645
  O     13.68668048      7.19314620    -13.50350381
  H     15.32098543      9.68009304    -14.31530208
  H     13.64502135      9.26445201    -11.28646533
  O     13.63312611     11.89845688     -9.09428756
  H     10.39405689      8.27329510    -11.06532822
  H     13.80606983      7.82202738    -11.81573616
  O     15.36012347     11.27082141    -17.08016923
  H      9.73376591      9.48720348    -11.74494330
  H     13.73299995     16.42339403    -11.96358034
  O     10.92312804      7.63316381    -14.21992085
  H     12.75930061      7.23138301    -13.76808983
  H     14.11332852     15.12281404    -11.22608748
  O     13.61739061     11.02518939    -11.74614983
  H     14.16167723      7.76080623    -14.12332952
  H     11.55261289      7.27508092     -8.93585872
  O     11.14567324     10.79296218     -9.07598022
  H     14.26426566     11.17529796     -8.95657677
  H     12.31915975      8.05136461    -10.03309761
  O     16.98251391     13.40152765    -10.58285665
  H     12.73558529     11.55442209     -8.96897402
  H     17.42115545     11.73740266    -10.58288275
  O     11.51028162     11.95909377    -13.31036704
  H     14.46028377     11.64273780    -17.05112786
  H     18.52749279     10.66343067    -10.43877729
  O     15.91832337     12.75956095    -14.72448848
  H     15.63961763     11.29296616    -17.99120778
  H     14.22923787     13.41064544    -14.41106529
  O     15.37892450      9.78222636     -9.13826310
  H     10.31831347      6.98717173    -14.57438125
  H     13.47447316     14.44443944    -13.55443386
  O     13.74942529      8.34451649    -11.00338983
  H     10.54548522      7.93917786    -13.37572852
  H     14.11593303     13.52729219     -9.36831592
  O     13.99736213     15.51684822    -12.10500094
  H     12.85717353     11.35564161    -12.23661807
  H     14.50362378     14.88189812     -8.73744932
  O     11.47358837      7.99640633     -9.55424810
  H     13.59857210     11.40913515    -10.86024683
  H     16.68016151     10.58834937    -12.24642669
  O     17.60274321     10.78061090    -10.63807231
  H     11.21391180      9.83084821     -9.11956854
  H     15.17590195     10.82447669    -12.51886874
  O     13.35068759     13.78375976    -14.24666456
  H     10.57803613     11.04987147     -9.81262841
  H     12.88087273     12.92515259    -15.97906582
  O     14.44867532     14.41974152     -9.57058061
  H     17.03042617     13.88712315    -11.41941888
  H     12.42850295     11.47866467    -16.26395073
  O     16.02667338     10.64917429    -12.95181519
  H     16.19432754     13.73109289    -10.14099246
  H     15.83853688     15.18179345    -12.75485634
  O     12.85297846     12.24904237    -16.66650357
  H     11.62305539     11.23603986    -13.94574441
  H     16.55426546     14.18021071    -13.67497976
  O     16.70465178     14.81072288    -12.95761823
  H     12.06936744     12.68710974    -13.61593360
  H     13.04229169      9.75935127    -15.06731028
  O     12.10429527      9.99004803    -15.13191962
  H     16.04737139     12.04921460    -14.07813027
  H     11.61179109      9.18451750    -14.93149329
          69
 Energy    -250.04513018030431     
  O      1.72242770      0.13771259      3.88085577
  H      2.56281036      0.22119986      4.32340649
  H     -2.01058768      1.94411602      5.48268302
  O     -0.51295505     -1.09512443      5.17032259
  H      1.91162143     -0.16203400      2.97316744
  H     -0.53697426      3.47156401      0.15528561
  O     -4.48677681     -0.84042760     -1.53748874
  H     -1.05588759     -0.34469884      5.45398920
  H      0.24531111      2.85715170      1.33076037
  O      0.57737230     -2.52573365     -0.00015196
  H      0.27330488     -0.72761069      4.75329168
  H     -3.18287603      0.35794837     -1.11354683
  O     -3.44831729      3.63203866      2.39864990
  H     -4.20150072     -1.62409398     -1.03177104
  H     -1.62811509      0.52999936     -1.12605546
  O     -4.46839973     -2.44866308      4.05622890
  H     -4.75010392     -1.14948533     -2.39977303
  H     -2.20157840      0.49018076      0.96470706
  O     -0.09392324      2.00434977      2.87514246
  H     -0.17851885     -2.57607385      0.60984235
  H     -1.32475936      0.82370309      2.21110100
  O     -0.10618451     -0.21870043     -1.54713663
  H      0.73853738     -3.41209234     -0.31255494
  H     -3.01452347     -2.83852253      0.58854167
  O     -5.77096871      1.97650595      2.37631761
  H     -4.25266800      3.10061220      2.35866817
  H     -4.55080890     -2.98150045      0.65004813
  O     -4.01937782      0.26734867      3.78224577
  H     -3.09615469      3.66288746      1.50096924
  H      1.69983850     -1.29832765      0.89803942
  O     -2.40555822      3.57544678     -0.25724431
  H     -4.35782935     -1.48628656      4.06239290
  H      2.19717029      0.13984178      0.65883659
  O     -2.18403642      1.03418149      5.74782823
  H     -3.59306466     -2.81690229      4.21946821
  H     -2.38471905      3.61798566      3.77095371
  O      0.35044372      3.23310198      0.44392838
  H      0.54880061      1.44729177      3.33131263
  H     -1.65589824      4.45291557      4.84983890
  O     -2.45878260      0.91401035     -0.80208589
  H     -0.56113974      2.54263859      3.52715171
  H      1.44355207      2.14162725     -0.31314932
  O     -2.00368892      0.22561829      1.87202564
  H      0.64448914      0.36087981     -1.36422546
  H      2.71493255      1.89958007     -1.16137026
  O     -3.80497578     -2.91506461      0.03920218
  H      0.09923223     -1.05577699     -1.11368230
  H     -1.47262448     -4.04243630      4.88113834
  O      2.17324712     -0.56823743      1.31466620
  H     -5.89622773      1.25077623      1.73883512
  H     -1.30358390     -2.51720005      4.68287143
  O     -1.73169872      3.57230553      4.49330109
  H     -6.64186231      2.29233033      2.60293724
  H     -1.60214837     -2.86726382      2.56857827
  O      2.01801102      1.45097937     -0.69092939
  H     -4.69572420      0.86315730      3.44268207
  H     -1.68978291     -1.52289436      1.79180608
  O     -1.75936781     -3.31057025      4.34269696
  H     -3.32180245      0.24178788      3.10956078
  H     -6.69252616     -3.35854064      2.03828952
  O     -1.55223604     -2.47714991      1.68747126
  H     -2.75534347      4.07461233     -0.99098033
  H     -5.45051758     -2.69289872      2.67595147
  O     -5.97039757     -2.76437156      1.85453743
  H     -2.46463705      2.63586520     -0.50426785
  H     -5.61935318     -0.28021094     -0.10426569
  O     -6.08674244     -0.14340251      0.72761989
  H     -2.91927720      0.75110377      5.18586496
  H     -6.11528789     -1.00890827      1.15537965
          69
 Energy    -250.04508953780714     
  O     15.40822890     13.15798403    -14.04591912
  H     15.46511522     14.02365344    -14.44290354
  H     10.26724960      7.77666629    -15.98130460
  O     12.75680935      7.57762447    -13.41157623
  H     14.87948137     12.60773450    -14.65241327
  H     17.54661303      8.88884991    -16.58071117
  O     17.32133633      6.62620954    -13.20612209
  H     12.04695063      7.63682992    -14.06140047
  H     17.38621373     10.36326371    -16.15898486
  O     18.04825480      7.12642224    -15.85781763
  H     13.44990521      8.18206744    -13.72533907
  H     14.51956301      9.93029267    -14.85949340
  O     11.56495843     10.82494856    -14.76980868
  H     17.60742859      6.30737810    -12.34018018
  H     15.56025431      9.25514313    -13.92040539
  O     16.28663352      7.63097712     -9.22393717
  H     16.41521481      6.30973591    -13.32901730
  H     14.89784591     12.70897628    -12.36849855
  O     12.95283345      8.48955666    -10.83752041
  H     18.85854652      6.68568381    -16.10223141
  H     14.51045428     13.24628679    -10.97421621
  O     17.01331263      9.37868428    -12.81679633
  H     17.90999818      6.94607866    -14.91400431
  H     16.02475886      4.89970824    -10.87217612
  O     13.09345533      8.04566773    -17.40672756
  H     11.28275931      9.93416333    -15.00322686
  H     14.92376428      4.85847153    -11.95276680
  O     13.75118490      6.29019888     -9.25858364
  H     11.66214816     10.85150832    -13.80573962
  H     12.26056122     10.14707927    -11.52513164
  O     15.24707359      6.84686919    -16.09002251
  H     15.42875638      7.21358759     -9.07500611
  H     12.89189602     11.50842831    -11.85298463
  O     11.06909395      8.10468187    -15.58356606
  H     16.09261718      8.49621045     -9.60702326
  H     14.87459383      5.77524082    -14.58819472
  O     17.18979002      9.73411319    -16.86977193
  H     13.10117784      7.74943028    -10.23708169
  H     13.95480833      6.19662655    -13.44390140
  O     14.77469174      9.09248111    -14.45672182
  H     12.80685306      8.10971005    -11.71745615
  H     18.44906471      5.46746100    -10.04662476
  O     14.57436954     12.44687935    -11.49235481
  H     16.50595454      9.52755988    -12.00672384
  H     17.28579750      6.48808966    -10.07246648
  O     15.09149533      4.70104749    -11.01399351
  H     17.20891572      8.43517935    -12.87431813
  H     14.96002989     10.59698786    -18.89967506
  O     12.12907440     10.95112492    -12.04219317
  H     13.57199692      8.82999968    -17.70072872
  H     15.66847488     10.04148657    -17.64221515
  O     14.71033798      5.62633967    -13.64760195
  H     13.78023142      7.44090469    -17.09504621
  H     15.16474653     10.79713432    -10.84198793
  O     17.73548214      5.79366912    -10.58779496
  H     14.15881363      5.66811194     -9.88731070
  H     14.52092297      9.39275951    -10.73946141
  O     14.79819441     10.26784167    -18.01960883
  H     13.30147628      5.76384379     -8.60301896
  H     17.55445855     10.70583955    -13.96259253
  O     15.36035404      9.87036365    -10.65898007
  H     16.19825334      6.82572691    -16.24222044
  H     16.97958017     12.04819697    -14.43980848
  O     17.61857869     11.36562492    -14.66829237
  H     15.08328223      7.66117485    -15.58609613
  H     13.07209320     11.34293535    -15.42859286
  O     13.99684434     11.53240192    -15.65983189
  H     11.75359288      8.08486224    -16.27625038
  H     14.18189137     11.19837724    -16.54550476
          69
 Energy    -250.04462074929307     
  O     16.23271187      6.11968187    -12.73595200
  H     17.05960701      6.51006911    -12.42131876
  H     20.55014722      6.75529214    -14.74344621
  O     17.88567368     10.27452106    -12.16318370
  H     15.53533080      6.40485951    -12.12762016
  H     16.45180541     11.81135116    -16.10591151
  O     18.09659362     11.01366041    -16.70154053
  H     17.88704311     10.54678883    -11.23787252
  H     14.96794020     11.47708901    -16.32215370
  O     13.46852342      6.53558627    -15.04895008
  H     17.03571673     10.54176443    -12.54156375
  H     15.92023234      7.59253564    -13.86414886
  O     15.01617069     10.01242714     -8.92905067
  H     18.72110250     11.46729602    -17.26076517
  H     15.95540205      8.40078334    -15.21142979
  O     14.34399847      7.16611298    -11.03111071
  H     18.58958678     10.71164190    -15.91714704
  H     10.45308727      9.44062150    -12.66689582
  O     15.44485727     10.81419467    -13.32865175
  H     14.06771855      7.25580935    -14.79567423
  H     11.51190717      8.31579687    -12.75936447
  O     16.45662999      8.75539850    -16.95500015
  H     14.04745534      5.78427313    -15.21363810
  H     18.30718994      7.65552537    -10.12003856
  O     15.41880532      7.37944487     -8.45549689
  H     15.88466179     10.39479265     -9.10402873
  H     17.26127236      7.61128801     -8.97257957
  O     17.74157902      6.40640043    -16.13240125
  H     14.50076681     10.09997487     -9.74265071
  H     12.47134728      6.46251848    -13.45747156
  O     15.69308174      4.71979016    -15.01814462
  H     14.17785202      8.10536277    -11.19696646
  H     12.78510954      6.67398846    -11.96312378
  O     19.74609069      7.19546742    -14.48056218
  H     14.66189047      7.09831529    -10.12248555
  H     19.56905089      9.09517027    -14.54522882
  O     15.56316290     12.02327045    -15.79351795
  H     15.40834927      9.91092880    -13.68386401
  H     18.93799071     10.21651989    -13.68690805
  O     15.50326477      8.30588098    -14.36225760
  H     15.44609358     11.40048738    -14.09677351
  H     19.01688064      7.36011599    -12.77713624
  O     11.36593081      9.27096905    -12.88567408
  H     17.07565865      9.49829651    -16.93996857
  H     18.22224303      8.48640255    -12.06911419
  O     18.11996129      7.97177102     -9.22655523
  H     15.59492237      9.12829649    -17.18378724
  H     17.97226222      9.71785699     -9.25455781
  O     12.06192651      6.65977570    -12.60414047
  H     15.23572338      8.33497329     -8.52870836
  H     18.34398041     11.14821581     -8.78998479
  O     19.35720368     10.03586584    -14.53902090
  H     15.12153246      7.10563280     -7.59211309
  H     13.54538150     10.35004634    -18.11043820
  O     18.45928512      7.54828363    -12.01167490
  H     17.04799589      5.78556343    -15.88152803
  H     13.34866571      9.75420455    -16.70087794
  O     17.77858845     10.66413845     -9.38598713
  H     17.30750657      7.14004023    -16.58854176
  H     14.29934934     10.33381974    -12.05162075
  O     14.01227535     10.12133576    -17.31072043
  H     15.74105424      3.77348836    -14.90739910
  H     12.86007181      9.79331346    -11.86342931
  O     13.71376389      9.88565452    -11.42364044
  H     15.89543349      5.11325936    -14.15041974
  H     12.45762977      8.03987822    -15.58360172
  O     12.21251663      8.97335132    -15.63706935
  H     19.04661026      6.88393237    -15.08197549
  H     11.91648048      9.21729940    -14.75276084
          69
 Energy    -250.04430601262914     
  O     -2.84013718     -1.28915761      2.21345104
  H     -3.48800501     -0.58560423      2.36556814
  H      0.33855593     -0.54811845      0.16443022
  O     -0.59585230      2.69169918      2.37858944
  H     -2.74272284     -1.34001618      1.25307985
  H      3.56691789     -1.74360839      0.87871027
  O      1.71919296     -1.14393650      4.39005549
  H     -1.48093242      3.06430946      2.46783495
  H      3.67852550     -0.39721238      1.69104573
  O      1.46575711     -3.17654158     -1.47218049
  H     -0.62762208      1.80080471      2.75873014
  H     -0.15175314     -2.38784364      1.55691759
  O     -2.60539288     -1.42915246     -0.65665894
  H      2.39673346     -0.52919877      4.08406112
  H     -1.52931393     -2.65895897      2.19683067
  O     -4.45512531      0.62449504     -0.71397210
  H      0.87488505     -0.71199038      4.20978331
  H     -0.01943157     -0.18407471      2.45079170
  O     -4.48779936      0.90735131      2.16801964
  H      0.57766201     -3.48034747     -1.25117842
  H     -1.42690189     -0.34906586      3.03945237
  O     -3.10607421      3.14650749     -0.43890841
  H      2.02142836     -3.34005063     -0.70062352
  H     -1.06319183     -3.76994555      0.24929304
  O     -0.31773021      2.66121977     -0.40119681
  H     -2.29592936     -2.33156373     -0.78746201
  H     -1.53715152     -4.84474196     -0.75709312
  O      1.59918924     -0.90575080     -2.94097541
  H     -1.87558591     -0.85618841     -0.94381956
  H      2.35578832      2.93859710      1.27792362
  O     -0.47251844      0.09439990     -1.34869944
  H     -3.87215635     -0.15070809     -0.75059717
  H      1.28257126      2.80058756      2.37646534
  O      0.71261834     -0.88413916      0.98755270
  H     -5.19916623      0.43177660     -1.27986897
  H      3.82638203     -4.27486353      0.84135702
  O      3.51282481     -0.78124332      0.81950383
  H     -4.61556593      0.86539602      1.21198130
  H      2.68982152     -3.61630773      1.65868148
  O     -0.74745417     -3.10076693      1.84166635
  H     -4.11614821      1.78029853      2.34088225
  H      0.80767513     -3.64958861      2.81702655
  O     -0.57572156      0.07557130      3.20315127
  H     -3.52995366      2.30551567     -0.65015824
  H      1.79303094     -2.78808637      3.62598749
  O     -1.21697140     -3.94799994     -0.69548657
  H     -2.16087496      3.03506846     -0.60656066
  H      3.14068415      1.38969410      2.89176883
  O      2.22506714      2.68613292      2.19949303
  H     -0.41962155      2.63720773      0.56209410
  H      4.35964491      0.98525392      3.75380886
  O      3.18981649     -3.56521885      0.82342523
  H      0.57660090      2.98218303     -0.57101274
  H      2.75141193      0.27936987     -2.02077099
  O      1.73260396     -3.58963172      3.08425511
  H      1.59610260     -1.74292688     -2.44191701
  H      3.43952219      0.28518069     -0.64171600
  O      3.64942373      0.62888440      3.22666876
  H      1.68316286     -1.13469281     -3.86252424
  H     -3.27269736      3.48604620      1.27337201
  O      3.23036648      0.84409587     -1.40394620
  H     -0.39645375      1.02904765     -1.10909286
  H     -3.73596290      4.34126723      2.47810453
  O     -3.28384684      3.53430252      2.24657889
  H      0.20454427     -0.12826650     -1.99908896
  H      2.93638337      3.94991076     -1.01191566
  O      2.40241873      3.27361315     -0.60473838
  H      1.67196980     -0.82004099      0.92002299
  H      2.73519212      2.41630398     -0.92808758
          69
 Energy    -250.04427584871081     
  O     12.79739868      4.80235659    -11.08247933
  H     13.43365902      4.47268424    -11.72916836
  H     14.38696007      9.62542669    -13.58885477
  O     16.11047533      9.97543403    -16.06787630
  H     13.30927950      5.11326199    -10.32528178
  H     17.48932023      8.08490960    -12.12540235
  O     18.15179487      8.26334816    -13.76593267
  H     16.16878663      9.01228822    -16.11006598
  H     16.93125608      8.72591807    -10.80371614
  O     16.28195210     10.29973894    -10.04787841
  H     15.34265935     10.17683251    -15.51453228
  H     15.32082236      8.05689025    -12.03587289
  O     11.40566681     10.02889439    -13.66608991
  H     17.50775217      7.90605852    -14.39489400
  H     13.77690806      8.32018469    -11.93707181
  O     16.97593365      2.75864632    -14.22439918
  H     18.29164788      9.18753053    -14.00363791
  H      9.94861072      6.03921488    -11.43271860
  O     11.41371478      7.39665633    -14.33632475
  H     16.23392395     10.76880659    -10.90034278
  H     11.47428434      5.79517045    -11.51393894
  O     16.45061024      5.28442496    -10.80757966
  H     16.70599198     10.89354689     -9.43389568
  H     19.18979816      6.68135031    -13.78773186
  O     14.12854592      8.55277678     -9.23960646
  H     10.61448516     10.45341334    -13.98611419
  H     19.06432968      5.45478500    -14.69997714
  O     17.79148038      4.73647811    -16.03068944
  H     11.38630452      9.11199122    -13.99711295
  H     14.25548293      5.48317602    -14.02522907
  O     16.22387831     11.47483520    -12.48652968
  H     17.53068755      3.06790430    -13.48209987
  H     14.15852578      6.99605566    -13.78107112
  O     14.16581500     10.42732226    -14.08811703
  H     17.03477924      1.80731141    -14.23582302
  H     17.43583051     10.67673180    -15.18403097
  O     17.01124850      7.90426020    -11.30240285
  H     11.11199413      6.97677486    -13.52044838
  H     18.72515432     11.52437082    -15.05037495
  O     14.51128344      8.17519196    -12.54589309
  H     12.24954606      6.96628946    -14.55867869
  H     16.86536937      6.36997640    -15.90065463
  O     10.76580322      6.42805488    -11.73184360
  H     15.81901325      5.34996782    -10.08210812
  H     15.52030707      6.87591038    -15.33308336
  O     19.49061320      5.76989052    -13.89470355
  H     16.74507911      6.19236256    -10.97633886
  H     17.83665193      4.27072116    -11.59430730
  O     14.02214757      6.31395095    -14.45930027
  H     14.81402517      9.19110657     -9.46859460
  H     18.90049378      4.52019043    -12.69604183
  O     18.13157749     10.96084814    -14.56212632
  H     13.34971592      8.78107856     -9.76507124
  H     11.85872697      9.39985977    -11.89744937
  O     16.38225722      7.16953194    -15.66017004
  H     18.10130538      4.32073112    -16.83224800
  H     11.60221333      8.01649808    -11.26284042
  O     18.41015196      3.82546487    -12.23057591
  H     17.46005064      4.02561875    -15.45971174
  H     15.47992067      3.60695091    -13.37694013
  O     12.12289518      8.82624770    -11.16759818
  H     16.96181120     11.39908694    -13.10298445
  H     15.46868671      4.60276833    -12.19683753
  O     14.90718655      4.19568293    -12.87434219
  H     15.43448697     11.28701522    -13.01153259
  H     14.32111187      6.82147291     -9.03660164
  O     14.39022756      5.85328750     -8.96411320
  H     13.20461211     10.48393561    -14.05875366
  H     14.30349470      5.64237169     -8.03805796
          69
 Energy    -250.04345866009461     
  O     12.51119217     11.56765130    -14.25630313
  H     13.27220940     12.15869396    -14.25430358
  H     18.85281291      7.24945412    -13.55773838
  O     15.74392736      6.42562171    -14.07400363
  H     12.64195884     10.97049678    -15.00734393
  H     16.79723849     11.30509501    -16.36917865
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  H     15.22003781      6.46052156    -13.26069651
  H     15.58114174     11.59656418    -17.26104602
  O     17.64246081      9.66419289    -15.93599885
  H     16.67249503      6.36987928    -13.81928592
  H     15.39397919      8.17482234    -14.43320553
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  H     17.44510016     10.58475733    -12.13417855
  H     14.55573816      9.30054663    -15.13197177
  O     15.47670673      8.44578146     -8.80630766
  H     18.28703326      9.88940127    -11.03291105
  H     11.93068569     10.59517664    -12.96146268
  O     14.23126075      6.81425619    -11.80701776
  H     16.82079286      9.47590486    -15.45454977
  H     10.80321365     10.32916482    -11.93552768
  O     15.74299484     10.99589469    -12.63411022
  H     18.35934409      9.43146189    -15.33830463
  H     18.19577150      6.40125924    -11.44012020
  O     16.25549944      8.39351472    -18.06902259
  H     11.33227296      6.67934299    -16.44169228
  H     17.25241988      6.12672681    -10.23568909
  O     15.50141392      5.83187025     -9.51002657
  H     12.04956903      7.18082006    -15.16624227
  H     12.69524831      7.04066570    -12.88094343
  O     14.83505404      6.40864819    -16.73140113
  H     16.37903428      8.76563427     -8.93023387
  H     11.78965247      8.26882707    -13.07687182
  O     18.46887004      6.38702543    -13.33265152
  H     14.93369326      8.90495223     -9.46239340
  H     20.42054920      9.18789143    -13.97481313
  O     16.11649410     11.96677294    -16.54930333
  H     14.23427463      7.75140835    -11.56314175
  H     19.10572800      9.41028857    -13.18724238
  O     15.31398206      9.12844864    -14.55974987
  H     14.57718183      6.33424167    -11.04545638
  H     18.89911644      9.02132791     -8.72832565
  O     11.63065372      9.98626656    -12.26201445
  H     15.58968301     10.30116692    -13.29601039
  H     18.25158012      8.07967226     -9.77293002
  O     18.10859523      6.49697779    -10.48483995
  H     15.51869774     11.82459556    -13.07217986
  H     14.46110716     10.63023174    -19.41285149
  O     12.00345710      7.40394455    -13.44767608
  H     16.89072132      8.72803618    -17.42387565
  H     15.20830318      9.70092211    -18.42345918
  O     19.51658489      8.89263948    -13.90584870
  H     15.79448444      7.64979741    -17.65243966
  H     14.68495807     10.09008501    -11.48070804
  O     18.22214313      8.97930944     -9.39891409
  H     15.45945536      6.74201640     -9.16092348
  H     13.19727592      9.69447310    -11.31236554
  O     14.60658761     10.46684907    -18.48570667
  H     15.24946424      5.25003647     -8.79842159
  H     15.07263058     14.01951448    -14.39103642
  O     14.08898014      9.50096673    -10.99703243
  H     15.18192639      6.25428354    -15.84266639
  H     15.37190288     12.70965462    -15.15428496
  O     14.95214130     13.07460041    -14.35452431
  H     13.89207170      6.56982577    -16.61141136
  H     13.54347926      9.97464929    -17.07311859
  O     13.13374686      9.73060906    -16.23313144
  H     19.02928752      5.72503331    -13.73256544
  H     12.71895775      8.86423724    -16.33302316
          69
 Energy    -250.04327241837515     
  O     -1.24763296      2.24155804     -1.86510088
  H     -0.53723318      2.87699831     -1.72307570
  H     -0.73546649      4.34687795      5.32561333
  O      0.93722420      4.02426569     -1.21599014
  H     -0.82666998      1.37180921     -1.90848049
  H     -2.49932115      1.44165058      2.99514238
  O      3.79922046     -0.03360608      3.04801595
  H      1.64854316      3.42926122     -0.91845622
  H     -2.59000972      0.70496460      4.35328890
  O      0.52463094      1.03723806      0.96297953
  H      1.33455846      4.64704411     -1.81866771
  H      0.62724277     -0.14639543      3.79145307
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  H      3.66939798     -0.65260796      2.31916043
  H     -0.84596460     -0.23697405      3.28398890
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  H      4.03564772      0.81789925      2.66288563
  H      3.83164881     -2.70723695      0.94094176
  O      0.02855939     -0.22538141     -1.45187939
  H      0.50303776      0.42625047      1.71008378
  H      2.37760650     -2.20587256      1.09591869
  O     -3.04311131     -0.52679502      0.85707419
  H      1.43597892      1.25934998      0.73616105
  H     -2.57588824      3.06632430      5.33831605
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  H     -4.22071780      2.25916801     -0.85504958
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  H     -2.67891827      2.15559900     -0.87849874
  H      1.29359311      3.93011044      4.25873035
  O     -1.49501314     -2.35423362     -0.41142969
  H     -1.76241910      3.41164298      1.93147751
  H      1.10108362      3.61686045      2.75674748
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  H      2.56606536      0.47908662      4.23245414
  O     -2.46070238      0.56686172      3.40685723
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  H      1.73957762      1.78696626      4.26227712
  O      0.04474279     -0.59296800      3.16309484
  H     -0.48100576     -1.02665159     -1.28298107
  H     -3.01873995      0.98308980      6.88851977
  O      3.29734998     -1.91701294      0.95353655
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  H     -1.62869190      1.40183409      6.35185148
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  H     -2.93065399     -0.30037666      1.78851536
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  H      3.00739329      1.45991218     -0.63969328
  H      0.70958838      1.34461066      6.09167077
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  H      3.06793649     -0.82790510     -0.54581134
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  H      1.95073808     -0.30868979     -1.48312384
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  H      3.29955274      3.07247799      2.73252533
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  H      0.17658577      5.30062562      6.13227819
  H     -0.00664622     -2.60570551      0.75587631
          69
 Energy    -250.04267811625891     
  O      3.53025164     -2.10863924     -2.80434319
  H      3.99034721     -1.88279543     -3.60856692
  H      2.30175437     -7.59986562     -0.69304909
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  O     -0.19568966     -4.76561744     -1.35696898
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  H      4.42056587     -4.22449719      0.80782760
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  O      1.99470819     -5.59086146      2.55881812
  H     -0.47536892     -5.64695447     -1.63371837
  H      4.25323749     -1.22187344      2.66850589
  O     -1.30319130     -2.19084645     -1.51166388
  H      2.87417042     -1.01351790      1.13039319
  H      3.92990026     -2.42708373      3.59719896
  O      1.48712741      1.33606652     -0.04906752
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  O      1.20627241     -0.98560634     -1.66220793
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  H     -1.10198157     -2.62297391      2.89738692
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  H     -0.71918363     -7.84634712     -0.07505501
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  O      3.54147891     -4.50911978      0.52950553
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  O     -0.45087221     -5.11337298      1.42229658
  H     -1.03988904     -3.12013598     -1.50213087
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  O     -1.87815295     -3.05606545      2.51577337
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  H      5.58051924     -2.88151751      2.02551524
  O      2.56068337     -3.53837310      4.34221708
  H      1.99802582     -1.25599641     -2.14354760
  H      6.84806200     -3.66172337      1.59229984
  O      2.14236337     -8.06752087      1.24770058
  H      1.37174756     -0.13025484     -1.24440720
  H     -0.04158864     -0.24586809      2.32613472
  O     -0.57774329     -7.50532019     -1.96635698
  H      2.36361689     -3.09312429      0.57039741
  H     -1.16744334     -0.04193888      1.29433884
  O      5.97838877     -3.40167537      1.30289644
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  H      2.96742405     -4.67415650     -1.10651925
  O     -0.36665883      0.36360379      1.65143987
  H      1.17840539     -2.30648315      3.74387778
  H      2.85769546     -3.87183454     -2.41866356
  O      2.54872638     -4.67311923     -1.98256489
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  H      4.61546072     -0.94283755     -0.05610618
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  H      5.53824541     -2.16743037     -0.12072300
          69
 Energy    -250.04250957309085     
  O     14.68972349     10.23015695     -9.26713943
  H     15.30223894     10.93850726     -9.50063116
  H     10.20371807     10.27295099    -11.42725626
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  H     15.12772447      9.39939740     -9.50683639
  H     12.56156410      6.66229859    -11.29239244
  O     10.85405749     10.63225884    -14.79265905
  H     14.13393801     10.65570376    -15.52660688
  H     12.91016310      5.91043919     -9.98229482
  O     15.41297833     11.58974497    -13.02519321
  H     12.73442168     11.11622684    -15.03734717
  H      9.20798525      9.21616632     -9.36991545
  O     16.76051579      9.16851014    -13.53879874
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  H      9.84697399      8.25068934    -10.39101614
  O     16.45979246     12.07235389    -10.51112738
  H     10.67323500     10.72948652    -13.83978463
  H     16.14817982      9.63197008    -16.69858347
  O     15.88928326      7.79369195     -9.98501415
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  H     16.05883066      9.31278180    -15.19185422
  O     12.14518338      4.53991700    -13.23611058
  H     15.89047495     10.76472113    -13.19103765
  H     13.31013926      7.25835452     -8.39082471
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  H     10.58576784      6.28171618    -10.90052230
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  O     12.38474602      5.85261295    -10.78679845
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  H     14.44822710      5.65585167    -15.06234879
  O      9.96509120      9.10565038     -9.94060668
  H     15.78932038      7.42450444    -10.87402455
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  H     13.00679252      4.59229428    -13.66519848
  H     13.07820213      7.33934106    -15.66323136
  O     13.88325537      6.47297190     -8.46884293
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  H     10.88330522      7.32893761    -14.59147159
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  H     17.36499816      8.95258244    -10.56595777
  H     11.21568198      8.84217961    -14.87986787
  O     14.70763552      4.94169756    -14.45056468
  H     17.55520021     10.46788382    -10.76486438
  H     13.07457088      9.42216692     -8.60668653
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  H     12.46061826      8.02601377    -13.21717211
  H     11.63437799      8.94106027     -8.96519299
  O     11.58714060      7.95314097    -14.81227313
  H     12.97003191      8.96916483    -12.08088448
  H     14.53419399      7.35988021    -12.56030768
  O     12.41316933      8.74036809     -8.43313479
  H     10.69168939      5.34925848    -13.73808875
  H     15.31143381      6.16486104    -13.15930324
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  H      9.27566469      5.32652651    -14.36205459
  H     13.91121695     11.03780453    -12.12902948
  O     13.22097498     10.69025569    -11.55135858
  H     11.48186081     10.95906982    -11.90145261
  H     13.63481441     10.55358197    -10.68958098
          69
 Energy    -250.04233387860688     
  O     -3.09161419      5.35471616      2.35681739
  H     -3.16634802      4.40551226      2.20742059
  H     -2.31906774      4.15768474     -2.49328393
  O     -0.82719045      3.61315125     -3.52472930
  H     -3.08197623      5.76549837      1.48324021
  H     -1.33559919     -0.64164556     -1.63258630
  O     -3.27632926      1.79666947     -0.69366833
  H     -0.70761875      3.82049959     -4.44754080
  H     -2.36849472     -1.34347374     -0.73179930
  O      1.19819827     -0.09626596      3.54511262
  H     -0.07518563      4.00892079     -3.04737903
  H     -1.22478681      1.93179084      4.85703895
  O      3.29123791      3.43598477     -0.64243894
  H     -2.45216208      1.58514474     -1.15816001
  H     -1.81136494      2.88471610      3.79905045
  O     -0.23034823      3.32233660      0.92880954
  H     -3.66724339      0.95171499     -0.44085729
  H      0.32079330      6.35392589      0.83367140
  O     -1.05399054      0.04807548      5.02154285
  H      1.40532839      0.83771457      3.40037962
  H     -0.99411746      6.27623079     -0.02114391
  O     -3.89060645     -0.74658905      0.38303225
  H      0.99336717     -0.45935289      2.67370508
  H     -2.53306967      1.63042224      2.19977356
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  H      4.22470847      3.43095627     -0.83695680
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  O      0.19037509     -0.65250496      0.96491490
  H      3.19427400      3.84389966      0.23628596
  H     -0.86916828      4.81458994      4.40885432
  O      1.27447100      2.69630837      3.18497592
  H     -0.21111072      4.23645546      0.61961820
  H     -1.66537983      5.67458889      3.42023155
  O     -3.03720634      4.34488471     -1.87592057
  H     -1.11287652      3.13347570      1.26570293
  H     -0.93490398      1.92649938     -2.73576992
  O     -1.48118776     -1.43362267     -1.09740706
  H     -1.02611023     -0.48199050      5.81301139
  H     -0.13189326      1.23665252     -1.61487509
  O     -1.21265900      2.84875554      4.55229817
  H     -0.19387053     -0.06201447      4.57384392
  H      1.41225833      7.52389601      2.83382991
  O     -0.08093804      5.96934877      0.04362960
  H     -3.34859162     -0.60821896      1.17743794
  H      0.46220461      6.31905928      3.02774337
  O     -2.73073504      2.53298590      1.91185837
  H     -4.63411614     -1.28298324      0.64660966
  H     -2.94475451      5.72796090     -0.85882775
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  H     -1.89324973     -0.18075176      3.36241959
  H     -3.33782826      7.20020348     -0.58201313
  O     -0.95433173      1.18151060     -2.12223747
  H     -1.29851097     -0.27448262      1.93004681
  H      2.06271766      1.97528721     -0.59068819
  O      1.14185192      6.69840871      2.44089455
  H     -0.30374873     -1.10835373      0.26844552
  H      0.66317523      2.15562947      0.01277489
  O     -2.82158416      6.47380577     -0.24343845
  H      0.67630544      0.05684549      0.52163186
  H      2.41918561      5.31997298      2.01714709
  O      1.23480189      1.50915537     -0.43457154
  H      0.57108880      2.81754430      3.83378763
  H      2.56460010      3.85798576      2.45043169
  O      2.92209308      4.51642430      1.83973538
  H      0.85390233      2.92138496      2.34123714
  H      0.78275455      5.26886211     -1.40900941
  O      1.17975811      4.72529809     -2.10417344
  H     -3.29719214      3.49297181     -1.50371629
  H      1.94317987      4.29693316     -1.70095762
          69
 Energy    -250.04198096882268     
  O      9.89642644     11.23892178    -10.76927041
  H      9.06993163     11.71370108    -10.80880252
  H     11.92052735     12.49830996    -13.39477562
  O     14.69805644      9.24831506    -14.86406121
  H     10.41017500     11.50643332    -11.55005583
  H     16.14542258     13.66291420    -14.66588617
  O     10.39660973      8.43238895    -10.97388183
  H     14.82268560      9.71516201    -15.69882644
  H     15.93583091     12.17356242    -14.26068594
  O     13.99344784      7.18656624    -12.98814916
  H     15.25961048      9.70524675    -14.22084013
  H     16.72454109     10.61248844     -9.73320540
  O     14.10460610     12.29438027     -9.07511664
  H     10.96758941      8.27060744    -10.21228148
  H     15.58685793      9.57840671     -9.58294557
  O     14.98442879     11.14509875    -16.98031043
  H     10.12253131      9.35460393    -10.90813417
  H     14.28792311      7.98078703    -11.39289030
  O     11.13359783      7.31270203    -13.31914920
  H     13.03827548      7.11900677    -13.11111532
  H     14.07077380      9.45261766    -10.98080673
  O     12.26464772      8.22453170     -8.85496195
  H     14.31447388      7.73186052    -13.71693607
  H     14.14540027     15.18530755    -11.95204692
  O     13.82702085     11.14462293    -11.59804525
  H     14.80815981     11.64096200     -8.94234233
  H     13.55281037     14.89843681    -13.36521612
  O     11.74710763     11.02242206     -8.59057687
  H     13.26474605     11.90679686     -8.78523526
  H     17.67811924     12.30498815    -11.09111428
  O     17.11390062     13.93110842    -11.32048977
  H     15.30287466     11.80689899    -16.34279740
  H     18.86919210     11.33504316    -10.89512903
  O     11.47767783     11.77693301    -12.92767488
  H     15.53489537     11.22306275    -17.75541377
  H     12.57872621     13.04973549    -15.26630969
  O     15.73028493     12.83590266    -14.93778166
  H     10.53860839      6.59611852    -13.52219242
  H     13.92703611     13.27035423    -14.57248493
  O     16.01857946     10.32163498     -9.14262147
  H     10.84207621      7.68849241    -12.46900148
  H     14.40449053     13.87666079     -9.72037329
  O     14.29929916      8.57868177    -10.63226158
  H     13.03341521      8.28749284     -9.44817346
  H     14.54945516     15.39474096     -9.48568275
  O     14.13116423     15.49107072    -12.86784728
  H     12.48366771      7.58124392     -8.18620142
  H     16.82289645     10.89980787    -12.45037439
  O     17.92472093     11.36450796    -11.02175191
  H     12.98466713     11.36303673    -12.01159861
  H     15.28075415     10.99658533    -12.54536388
  O     12.98667244     13.48149673    -14.50085018
  H     13.88112885     11.60932911    -10.75311935
  H     13.08101881     11.55067832    -16.85717834
  O     14.62405698     14.71850387    -10.15509587
  H     11.89510934     10.06899680     -8.55735117
  H     11.92618330     11.00511971    -16.00717521
  O     16.08567353     10.85212588    -13.06891808
  H     11.07138786     11.16087023     -9.26528429
  H     15.74245432     15.43233674    -13.50699342
  O     12.20092609     11.77129233    -16.52774795
  H     16.31365122     14.21588950    -10.86226482
  H     16.99869021     16.06027052    -14.16086653
  O     16.64412017     15.24120625    -13.82645810
  H     17.09558248     14.37354641    -12.17701196
  H     12.88183275      9.52366917    -14.67210249
  O     11.92450755      9.65661187    -14.62150975
  H     11.53542934     11.00162184    -13.50704667
  H     11.55446465      8.83636105    -14.27267395
          69
 Energy    -250.04166423110325     
  O     -1.28416348     -1.06509505      2.74149582
  H     -2.04211920     -0.81650765      3.29195776
  H     -0.58828007      4.33759243      2.31362135
  O      0.26991503     -0.90224403      6.74125661
  H     -1.45050753     -0.65121401      1.88322612
  H     -0.52980812      3.44088310      4.50525979
  O     -6.47274627      0.08845978      4.27975230
  H     -0.35598977     -1.61286333      6.51136267
  H     -0.35791376      1.93064507      4.78834184
  O     -4.36135368     -1.26558481      1.39635751
  H      0.90364801     -1.27669699      7.34718264
  H     -0.99109371      3.25935567      0.38603325
  O     -2.14731518      0.28625603      0.49043676
  H     -5.52544403      0.05283220      4.09226135
  H     -2.38122600      3.48556036      1.01241083
  O     -1.81331637     -3.70292920      3.37772742
  H     -6.69190253     -0.80961803      4.55429939
  H     -0.95371923      0.47239039      7.22160962
  O     -1.55839080     -2.76197807      6.06127841
  H     -4.15023782     -0.93666167      2.28354579
  H     -1.34534583      1.86045556      6.68315363
  O     -4.07697938     -1.62454166      6.36573355
  H     -3.65255748     -0.92802751      0.83559167
  H      1.06738620      2.96799378      2.51933963
  O     -6.35387912     -2.66156119      5.08589930
  H     -1.36646830      0.71369625      0.11737142
  H      1.25126137      1.48839167      2.90920180
  O     -3.78107237      2.34187903      1.47421784
  H     -2.71501307      1.00137645      0.81687624
  H     -3.70270033     -0.72598775      4.83585824
  O      0.12598612      1.77675701     -0.19681481
  H     -1.54392925     -2.82767259      3.05321772
  H     -3.49162407      0.66230077      4.10334088
  O      0.00658589      4.48456276      3.07115554
  H     -1.28659889     -4.34409121      2.90613529
  H     -6.55989630      0.77866988      2.38720582
  O     -0.82161551      2.72690726      5.08647479
  H     -2.45326741     -2.45242503      6.25926078
  H     -5.73829159      0.09629750      1.29094031
  O     -1.50969467      3.88871382      0.90116570
  H     -1.61052969     -3.20742958      5.20831860
  H     -3.22150259      0.85113130      7.80699414
  O     -1.59909019      1.18261108      7.32185647
  H     -4.22013446     -0.91929695      7.01087339
  H     -4.25702321      0.76825095      8.95559540
  O      1.38625992      2.11848032      2.18987178
  H     -4.92913100     -1.99457704      6.10211701
  H     -6.01834415      1.52397985      5.51493973
  O     -3.61940333     -0.28992226      3.97712092
  H     -7.00811103     -3.33133254      5.26524624
  H     -5.09920236      1.65659665      6.75041199
  O     -6.18047197      0.92618269      1.51366285
  H     -5.79465019     -3.00267910      4.36410796
  H     -3.75347829     -3.67383786      3.24885598
  O     -4.14177296      0.61041102      8.02240800
  H     -4.67758228      1.99450843      1.37378172
  H     -4.68803124     -2.85715345      2.34737064
  O     -5.45392268      2.14279390      5.99585046
  H     -3.65043374      2.46822654      2.42564562
  H     -0.04203867     -0.15055586      3.69660585
  O     -4.68319136     -3.47017287      3.09513912
  H      0.63518970      1.84448147      0.63071187
  H      0.58004803     -0.05164587      5.11106936
  O      0.51564418      0.40262171      4.26186943
  H      0.75464768      1.82526836     -0.91186794
  H     -4.10875557      2.50870163      4.87469744
  O     -3.41967967      2.41805712      4.19981672
  H      0.26202829      5.40266631      3.04496554
  H     -2.55568248      2.61621808      4.58188715
          69
 Energy    -250.04130087255743     
  O     -3.65309828     -3.66628515     -0.40227118
  H     -3.35964960     -4.41655646      0.13325716
  H     -6.08454226     -5.41588650      2.43205693
  O     -5.48737559     -0.28576018     -1.63964045
  H     -4.62364091     -3.66401783     -0.36651394
  H     -6.52721476     -4.46619211      0.49354838
  O     -3.53205220     -1.05317364      0.36216786
  H     -6.34341611     -0.09130761     -1.23817947
  H     -6.99250819     -4.09296177     -0.93273760
  O     -4.18255274     -4.34686209     -3.00052451
  H     -4.87163919     -0.45404102     -0.91744330
  H     -4.40767708     -1.64883128      1.96610344
  O    -10.36849606     -4.18767383     -0.43721302
  H     -3.45613547     -1.97278816      0.05298232
  H     -5.87110741     -1.88830051      2.35966278
  O     -5.26750869     -2.57131618     -6.20895730
  H     -2.65811984     -0.67346780      0.31041312
  H     -5.54203658     -2.06602078     -4.44593165
  O     -9.62911263     -1.75122583     -1.80060641
  H     -4.79202960     -3.61376729     -3.18401224
  H     -5.63493687     -1.45499799     -2.96709702
  O     -5.96000866     -6.46346716     -2.48518630
  H     -3.78493995     -4.15441713     -2.14242453
  H     -3.65074977     -5.52955494      1.98537114
  O     -8.37715806     -3.00034030     -3.99108863
  H     -9.95957750     -4.14511049      0.44529591
  H     -3.91461647     -6.48991725      0.80360468
  O     -9.06935061     -4.04117993      1.93057251
  H    -11.26381840     -4.48987502     -0.31128175
  H     -3.69744887     -4.71639642     -4.65791024
  O     -6.15922680     -6.18814376     -5.38916905
  H     -6.10522070     -3.00269798     -6.41974055
  H     -2.72555899     -5.13339767     -5.78703840
  O     -6.76949446     -5.70648045      1.81323098
  H     -4.62092424     -3.28633603     -6.16106212
  H     -5.59382988     -7.15590449     -0.86185216
  O     -6.40260102     -3.82297490     -0.21914197
  H     -9.95736989     -2.51321230     -1.30944747
  H     -5.40540499     -8.41922292      0.00100299
  O     -4.96151377     -2.07559466      2.63003544
  H     -9.30865766     -2.09550168     -2.64489182
  H     -8.30844950     -4.33167545     -2.79487238
  O     -5.80936723     -2.22337161     -3.52902761
  H     -5.31262763     -5.76057169     -2.64194286
  H     -8.99457364     -4.83618263     -1.49948478
  O     -3.26701462     -5.87429964      1.16800177
  H     -6.81640069     -6.02997755     -2.34534827
  H     -8.57096752      0.94628943     -0.55946818
  O     -3.63172753     -4.89318635     -5.61290407
  H     -7.48977767     -2.66422384     -3.78387533
  H     -8.67910763     -0.52587559     -1.02096480
  O     -5.42259812     -7.46583867      0.04251606
  H     -8.32076917     -3.36536726     -4.88165536
  H     -7.71303230     -1.04200552      0.86004133
  O     -8.21384462     -4.94960774     -2.05561509
  H     -8.60613803     -3.19234306      1.90277906
  H     -7.05757024     -2.43334237      0.75008385
  O     -8.11278519      0.11028815     -0.54747793
  H     -8.38355353     -4.71671838      2.01003379
  H     -7.20256445     -4.94788636     -6.07801724
  O     -7.44020714     -1.80502274      1.38268680
  H     -5.26316441     -5.87154398     -5.56551381
  H     -8.12510435     -4.48648524     -7.22984613
  O     -7.68385936     -4.18315336     -6.44093243
  H     -6.16328625     -6.46960414     -4.46786352
  H     -4.49091425     -4.70751221      4.28318251
  O     -4.66873485     -4.67043119      3.34722793
  H     -6.39235698     -6.41791557      1.27996004
  H     -4.73699252     -3.72703327      3.11349635
          69
 Energy    -250.04104485936580     
  O     -0.72258852      2.74038040      2.27348055
  H     -0.15318437      2.38064678      1.56865226
  H      0.51135248      8.64439954     -0.15645099
  O     -2.74749810      5.97008790     -0.32820363
  H     -0.71740922      2.10051689      2.98068422
  H      0.05793863      1.58568677     -0.53350387
  O      4.12311681      6.99607786     -0.11359253
  H     -2.47860579      6.61723658      0.33400180
  H      1.54086294      1.86583950     -0.16790196
  O      2.87091670      8.50121674      1.95890423
  H     -2.24512574      6.13377736     -1.13788094
  H      0.36532361      4.40926911     -1.50321140
  O     -1.46660192      6.23413535     -2.82815377
  H      4.00182750      6.10007943      0.22934245
  H     -0.39749135      3.26448263     -2.23118762
  O      3.26538039      2.29011189     -0.86580294
  H      3.77786233      7.58516913      0.56791089
  H     -0.09375608      7.32884861     -2.22925292
  O      0.77432027      5.39731542     -0.05685588
  H      3.17272372      9.30942673      2.36493428
  H      1.46498503      7.48877527     -2.15466364
  O     -1.83626507      7.57548895      1.79813781
  H      2.00693395      8.69644770      1.55436581
  H     -4.21604399      2.49162943     -2.62364797
  O     -1.45981009      1.91854955     -1.67080627
  H     -2.22980569      6.01170249     -3.37432681
  H     -3.58858069      3.38292883     -3.70692794
  O     -0.28901945      5.49140225      2.55956467
  H     -0.90944298      5.44021033     -2.79401993
  H     -4.42969915      5.74564902     -1.14135853
  O     -2.78120355      3.29659277      0.41608979
  H      3.17834603      2.91927105     -1.60441709
  H     -5.33843067      4.53825617     -1.42970435
  O      0.47457088      8.92343276      0.76960229
  H      3.90264548      1.63533179     -1.13816143
  H     -4.37637372      5.40419602     -3.29046552
  O      0.66724582      1.70360515      0.20636664
  H      0.76067578      6.25935181     -0.49305316
  H     -4.33251014      5.60156600     -4.82469352
  O      0.12828513      4.06060064     -2.37733882
  H      0.33725001      5.48766652      0.79757365
  H      1.88666964      4.04607151     -2.87174374
  O      0.63409491      7.68264589     -1.70057812
  H     -2.37710795      7.92384835      2.50261923
  H      3.04643517      5.05436139     -2.82367281
  O     -3.57298228      2.48988695     -3.34390671
  H     -1.31842106      6.84095676      2.17422083
  H      2.78054743      5.35511103      2.49470894
  O     -5.15108532      5.44294105     -1.71021366
  H     -2.10819900      1.95680423     -2.38879960
  H      2.55922296      6.84224709      2.82840266
  O     -3.81519949      5.30526777     -4.08024539
  H     -1.89164850      2.35654412     -0.92380857
  H      2.39445123      4.82305123      0.50985651
  O      2.85252762      4.11068949     -2.84205675
  H     -0.44202206      4.53874075      2.56884843
  H      3.42382857      3.68698774      0.41113105
  O      2.32849462      5.94776375      3.11074269
  H      0.61404148      5.65616691      2.87647330
  H     -5.68113028      2.06701840     -0.46637688
  O      3.24708632      4.51994916      0.86080462
  H     -2.17271616      3.11589263      1.14158767
  H     -4.34767391      2.84001370     -0.35258396
  O     -5.13315217      2.70942958     -0.90987807
  H     -2.71558381      4.23871072      0.19852166
  H      3.78059375      7.43826078     -3.22542362
  O      3.18817941      6.97262788     -2.64082916
  H     -0.35244242      8.57643187      1.12193844
  H      3.57898963      7.01899735     -1.74862032
          69
 Energy    -250.04077492781553     
  O     16.33081553     11.94050312    -12.37182449
  H     16.83976114     11.14400718    -12.16638580
  H     12.52434690      7.97295454    -12.71362077
  O     17.82025792      7.97793482     -8.15555680
  H     16.01347583     12.27003699    -11.52324626
  H     14.71257367     13.27788376     -9.42732440
  O     15.40032362      5.36014239    -11.95977386
  H     17.21845319      8.71503890     -8.31597206
  H     14.18664649     12.19218912    -10.39594481
  O     12.01274153      5.17634538    -10.43791415
  H     18.44228455      7.97737416     -8.89445143
  H     14.72537650      8.60700377    -14.49798527
  O     17.97575827      5.37620024    -10.77767741
  H     14.61664684      5.10404851    -12.46015767
  H     14.04003127      9.95459158    -14.75964414
  O     17.01540271      5.38273824     -8.07504645
  H     15.10001062      5.50302680    -11.04912909
  H     18.89233505      6.86152779    -10.72466637
  O     17.42040785      9.50260334    -11.55427280
  H     12.85240754      5.23865481     -9.96305659
  H     20.26831121      7.56993004    -10.73532777
  O     11.31167666      9.29977142     -8.83028257
  H     12.23717603      5.00370010    -11.35935337
  H     14.28197957      6.60283293     -9.06850523
  O     16.04433789      9.97474312     -9.15169024
  H     17.69725148      5.21978098     -9.86621040
  H     15.31478304      5.47486758     -8.81940608
  O     13.51359996      8.82351540    -11.47927355
  H     17.18320371      5.26743318    -11.31831097
  H     12.00180805     11.45914367    -11.44272266
  O     10.06395497      6.93640567     -9.82265524
  H     17.32078357      4.96316708     -7.27551007
  H     13.19809169     11.69134623    -12.44971751
  O     12.15441515      7.61841452    -13.53773989
  H     17.27498218      6.32015876     -8.01830943
  H     10.51941932      8.17607989    -12.78813764
  O     14.96012286     12.47462070     -9.87781426
  H     16.87189810      8.93488824    -12.11680040
  H      9.86004921      7.91564214    -11.41397213
  O     14.01817333      9.02347507    -15.00979780
  H     18.17970635      8.97415271    -11.28194020
  H     10.12727701     10.10146860    -11.52069952
  O     19.33975045      7.71418892    -10.57549230
  H     11.01096312      9.95499154     -9.46797080
  H      9.49198543     11.41334881    -11.00486375
  O     14.52596702      5.70023322     -9.32621302
  H     10.86245299      8.47996399     -9.07942057
  H     12.57666638      5.89763293    -13.37423350
  O     12.95794539     11.58104323    -11.51951792
  H     15.71821373     10.87843214     -9.23623616
  H     12.52703477      4.43636730    -13.87611023
  O      9.86287668      8.51940165    -12.16875637
  H     16.49058802      9.77664268     -9.98843609
  H     15.00978830     11.81477539    -13.51499536
  O     10.31921215     10.94418356    -11.07080397
  H     13.35126931      9.77411676    -11.47124286
  H     14.22405275     12.43698712    -14.69254458
  O     12.85335587      4.98813616    -13.16991992
  H     13.58838159      8.54267417    -10.55987035
  H     13.01534322      8.73397011     -8.63403465
  O     14.18350456     11.75327079    -14.02840367
  H     10.76139834      6.28855388    -10.02793757
  H     14.58118240      8.93317560     -8.78612983
  O     13.86295923      8.28564650     -8.77230020
  H      9.36815709      6.45480379     -9.38284608
  H     15.69681695      7.01343244    -12.71909997
  O     15.66415591      7.94820074    -12.95870075
  H     12.65164512      8.06562148    -14.23727558
  H     14.91794527      8.31327946    -12.45696189
          69
 Energy    -250.04047750316619     
  O     12.35901161      9.38113462    -10.68099560
  H     12.28466131      8.63167974    -11.28259377
  H     14.47147814     13.40437074    -14.92274686
  O     15.10981327     10.52762224    -12.99203049
  H     11.86057948     10.09252770    -11.10059444
  H     17.49592518     11.43364059    -15.50114308
  O     17.23570894     14.08369229    -13.65863651
  H     14.47807487     11.11952250    -12.56795382
  H     16.41416486     12.35678101    -16.13969777
  O     11.22093096     11.33718018    -12.42934056
  H     15.98223022     10.86664419    -12.75812089
  H     14.65717295     12.57588278    -10.48987193
  O     11.82494165     14.63691780    -14.95263910
  H     17.32169015     13.47549630    -14.41890521
  H     15.19779853     13.10485069     -9.13935348
  O     14.50135681     12.40448355    -16.45665716
  H     17.87707985     14.77687606    -13.78662107
  H     18.10386534      9.57921351    -14.07275214
  O     16.68695772      7.81613731    -10.48038452
  H     11.40096600     10.71508575    -13.14892958
  H     17.29584120      8.98054580    -15.23716129
  O     13.58698040     12.61559566    -11.87576140
  H     10.62216455     12.00380474    -12.78845314
  H     17.32558428     12.72757918    -12.38838031
  O     14.29419992      9.83532540    -15.50943847
  H     11.87300958     14.27582261    -15.84702489
  H     16.73236841     12.17059470    -11.06101906
  O     14.90717623      9.62111742     -9.57087178
  H     12.72145900     14.57944048    -14.59867648
  H     11.81890450      8.69433914    -13.95643416
  O     10.33607803     11.45147849    -15.98031674
  H     13.68890980     12.67382076    -16.90192906
  H     12.59681309      9.61714742    -14.91997022
  O     14.44692649     13.96087561    -14.13009164
  H     14.39957895     11.46558147    -16.24225357
  H     15.70363152      7.50254658    -14.45525115
  O     17.26678320     12.35633319    -15.69058493
  H     17.04079662      7.31692817     -9.75008159
  H     16.17294930      6.67609891    -15.67572335
  O     15.35143692     12.45313280     -9.81822396
  H     16.06832019      8.46882737    -10.10149897
  H     11.58383915     13.29302742    -18.25525701
  O     17.82860512      9.74069138    -14.98731501
  H     12.70654726     12.24639442    -12.02529739
  H     11.36494877     12.47765962    -16.95817218
  O     17.28084707     11.94596616    -11.82311906
  H     13.83501673     13.13700148    -12.65263267
  H     13.36293094      7.40721091    -12.75069988
  O     11.74078287      9.49862845    -14.48338105
  H     14.79688715      9.03929734    -15.71600903
  H     12.16325290      6.43681318    -12.63126222
  O     15.93160402      7.55585585    -15.39803708
  H     14.64943446     10.16386604    -14.66671005
  H     17.87367189      8.85343178    -11.64451227
  O     11.94727576     13.12863768    -17.38935570
  H     13.99884063      9.53148646     -9.89488973
  H     18.14614133     10.32594471    -12.00611979
  O     12.39239434      7.35550902    -12.74720443
  H     15.09502639     10.56525551     -9.54989809
  H      9.02870882     13.85147523    -13.66147643
  O     18.34632522      9.41556946    -12.26729738
  H      9.98709407     12.00862910    -15.27345533
  H     10.48987873     13.82677577    -14.17266928
  O      9.76740442     13.27217177    -13.82630701
  H     10.71808458     10.67791951    -15.54615778
  H     15.07748230      8.74063303    -12.79459127
  O     15.11538265      7.77187622    -12.74765058
  H     15.36592196     14.16154521    -13.91563481
  H     15.67339852      7.57597111    -11.98433684
          69
 Energy    -250.04043937929873     
  O     16.01207160     11.83213010    -15.21076759
  H     16.04120746     12.71954197    -15.55799777
  H     17.54505811      9.18965224    -12.37436512
  O     15.40084435      5.82982633    -13.67492704
  H     16.14699202     11.90196623    -14.24845150
  H     15.51418767      9.01560749    -12.94587514
  O     14.89546183      8.02450337     -9.92635221
  H     15.69604820      6.74716290    -13.54231924
  H     16.45652740      8.78318340    -14.18415598
  O     16.45241626      7.14264090    -16.87879503
  H     16.04720481      5.41475727    -14.25692123
  H     13.20055203     10.02567605    -14.91499729
  O     10.72770001      8.14280496    -11.49808822
  H     14.96948359      7.15039278    -10.33310639
  H     14.43404822     10.76481133    -15.51544188
  O     12.91757436      6.57358389    -14.58641940
  H     15.79956752      8.27204357     -9.68382392
  H     12.39649166      5.88801030     -9.85446104
  O     14.41973516      9.99836763    -11.84811126
  H     15.50606583      7.29594609    -16.98030389
  H     12.08029102      5.17136937    -11.17966924
  O     19.06127650      6.47009300    -13.47221823
  H     16.82660572      7.97876779    -16.56671038
  H     13.70846205      8.67548438    -16.60829621
  O     11.09384550      5.57976271    -12.76277374
  H     11.18718840      8.06095709    -10.65308376
  H     13.19957650      7.88790954    -17.83840406
  O     17.45571726      5.11545319    -15.41907837
  H     10.70319501      7.25223563    -11.87044596
  H     17.85287500      7.50162156     -9.98785649
  O     17.99926770      5.77393909    -10.86548177
  H     13.07418393      6.89231732    -15.48377835
  H     17.94222208      8.99036399    -10.33689745
  O     18.25311980      9.75616982    -12.03202381
  H     13.76881602      6.24340296    -14.26261935
  H     14.37410845      5.17076580    -10.71264754
  O     16.14465306      8.40577945    -13.35127366
  H     14.52024813      9.36379744    -11.12579561
  H     15.26703025      5.47895332    -11.94952825
  O     13.71606187     10.15683811    -15.72180916
  H     13.62509475      9.75920068    -12.34485955
  H     12.12729496      7.94206948     -8.22744555
  O     12.61684301      5.10873579    -10.37966979
  H     18.56025572      5.95690411    -14.11786020
  H     13.21550508      7.87989108     -9.32068254
  O     13.66650212      7.78918228    -17.01272726
  H     18.70471819      6.25033209    -12.60338784
  H     19.59177186      8.04543495    -13.97111509
  O     17.60310210      8.37834810     -9.67050779
  H     10.44558734      5.01953010    -13.18277761
  H     20.74206079      8.94955881    -14.47738564
  O     15.26544836      5.43561262    -10.98161560
  H     11.69424961      5.88320387    -13.46321890
  H     12.59548089      8.27441161    -13.83845315
  O     12.28424224      7.67794276     -9.13065021
  H     17.70089762      4.38300670    -15.97717315
  H     11.69151002      8.94705731    -12.78657436
  O     19.81834700      8.95464346    -14.24291050
  H     17.12433804      5.82066260    -16.00605289
  H     15.61488944     11.34817517    -12.19424696
  O     12.36698641      9.13167577    -13.45587451
  H     18.41655515      5.07046980    -10.37255395
  H     17.14792738     11.29119439    -12.29013346
  O     16.38308256     11.82371820    -12.54310201
  H     17.04552787      5.58862758    -10.85098721
  H     18.27922819      9.41710267    -15.23386332
  O     17.40369551      9.44230168    -15.64178644
  H     18.97731342      9.64271466    -12.65735747
  H     17.05158598     10.33975916    -15.58156653
          69
 Energy    -250.03993923685925     
  O     13.85711658      3.09158262    -12.93087610
  H     14.04861517      2.43993039    -13.61517550
  H     16.49591662      4.47129340    -15.77297001
  O     19.38265232      6.35568541    -19.43635337
  H     13.34786327      3.78294679    -13.37619591
  H     16.44451206      4.00408565    -18.28534891
  O     16.15902006      7.07943006    -12.01461247
  H     19.14306134      7.28640588    -19.33965081
  H     16.26396045      4.49405114    -19.74008459
  O     12.08174709      5.08614534    -17.30038103
  H     19.59229770      6.04519393    -18.54706975
  H     16.17876976      5.22918886    -12.16557498
  O     20.25419761      5.28166203    -14.00432583
  H     16.29579564      7.58700075    -11.21847571
  H     15.42434051      3.87878649    -12.45450216
  O     16.05169723      7.76445590    -20.12248326
  H     16.93532124      7.23562915    -12.58278694
  H     13.02526578      3.39253767    -17.60207352
  O     15.42693434      7.41343502    -16.00258282
  H     11.25494839      5.31726270    -17.71657838
  H     14.36897723      3.11137995    -18.29321644
  O     17.62687331      3.76341349    -16.96361489
  H     12.76571742      5.64050832    -17.71222444
  H     19.92077118      5.56034157    -15.80665191
  O     14.95231082      2.06137050    -15.40284441
  H     19.71199958      4.50331507    -13.78137010
  H     19.00482877      6.54928273    -16.56782672
  O     18.63607809      3.20684190    -13.43000838
  H     21.07734090      5.18961400    -13.53234859
  H     17.10140169      7.94258996    -16.27389109
  O     18.24103605      8.95510637    -19.03416366
  H     16.41456451      6.97612438    -20.54605865
  H     18.17900411      8.51388485    -17.22588793
  O     15.81975721      4.80605609    -15.16818881
  H     15.31469617      7.45640375    -19.58171350
  H     13.45103971      6.94448769    -13.89544444
  O     15.77764999      4.20616212    -18.95772685
  H     14.87555068      7.76008648    -15.28669447
  H     14.61700641      7.54721530    -13.07707143
  O     16.28522124      4.32299276    -12.48198309
  H     15.65868434      6.51385126    -15.72910271
  H     17.80607412      0.47837011    -15.55838818
  O     13.68388389      2.70343484    -17.74692627
  H     17.82950135      2.92586910    -16.53069819
  H     16.64819252      1.49112747    -15.39857867
  O     19.51484656      5.73073727    -16.66571461
  H     18.37812895      4.36717912    -16.87686831
  H     14.63214442      6.88011986    -17.53572403
  O     18.05517676      8.08610047    -16.37006582
  H     15.16044168      2.98575496    -15.21627204
  H     14.79011350      5.67423408    -18.51931214
  O     13.94266788      7.76076388    -13.73436309
  H     14.44609888      2.09386371    -16.22871085
  H     19.00656223      6.69553108    -13.67538867
  O     17.61673953      1.40264222    -15.41912689
  H     17.84762513      3.52273204    -12.96533461
  H     18.28333281      7.77203206    -14.50789656
  O     14.25132174      6.45485571    -18.31820579
  H     18.34335002      2.50953042    -14.02650512
  H     18.13707923      5.64383061    -20.44033607
  O     18.31806933      7.36953472    -13.63137685
  H     17.41445065      8.60858456    -19.41583602
  H     17.69493154      5.08985051    -21.81649551
  O     17.36592354      5.35904238    -20.96321854
  H     18.40680554      9.79542710    -19.45283854
  H     13.97389391      5.09421704    -14.86442868
  O     13.04041350      5.19728946    -14.63255235
  H     16.12566569      4.69681612    -14.25663451
  H     12.56291828      5.15321661    -15.47001931
          69
 Energy    -250.03960960682224     
  O     16.59024184      8.19108619     -9.70925717
  H     16.06685147      7.42808639     -9.41673143
  H     13.02198106      9.19831008    -15.43806414
  O     10.87972395      9.17900196    -12.69999071
  H     17.14837189      8.43119034     -8.97215468
  H     15.15352667      4.61798539    -12.89489252
  O     12.24880346      3.60806812    -12.63314335
  H     10.41616590      8.35302241    -12.52242342
  H     14.33481306      5.76220747    -13.51903110
  O     14.48892922      5.61658648    -16.30627891
  H     11.31592653      9.07061895    -13.55731145
  H     13.54259665      7.91528133    -13.86718147
  O      9.62102065      6.63644173    -12.11019793
  H     11.98002778      4.19692638    -11.91485708
  H     15.05673938      7.78091658    -13.48394824
  O     12.46118145     10.15805712    -10.75117679
  H     13.03501918      4.00447678    -13.04186135
  H     15.68089739      9.56747962    -10.75100803
  O     16.09808152      4.52669876    -11.30814326
  H     13.54938257      5.80522663    -16.42198150
  H     14.33872495     10.26304382    -11.10097557
  O     16.14972743      7.69553396    -16.73853673
  H     14.57349978      5.17120017    -15.45318750
  H     14.90345173      3.06426908    -10.93979297
  O     13.04088915      3.95936074     -8.58126015
  H     10.17794204      6.15191734    -11.47912108
  H     13.47141377      2.70900548    -11.39944362
  O     11.74079823      6.33266013    -16.47581299
  H      8.72168984      6.55028688    -11.80132322
  H     13.56302362      7.48427666    -11.61590250
  O     14.53110854      9.95150797    -15.99556223
  H     11.98903533     10.81766118    -10.25101689
  H     12.88542598      8.38383981    -10.55142363
  O     12.33858385      8.66156955    -15.00816539
  H     11.87371527      9.88422839    -11.48014898
  H     11.09241634      4.45993620    -13.86903003
  O     14.53056283      4.81682291    -13.60579843
  H     15.68014862      4.98207945    -10.56588888
  H     10.18051378      5.68505150    -13.67880748
  O     14.16155662      7.50789056    -13.24724418
  H     16.80535166      5.12548279    -11.59155234
  H     11.83453566      4.86274856     -9.76671120
  O     15.28486548     10.26262036    -11.28927441
  H     16.67742700      7.52264111    -17.51318181
  H     12.05290709      6.14321847    -10.60193725
  O     14.09695610      2.60447542    -10.67134384
  H     15.56141327      6.92732591    -16.62283041
  H     15.81438620     10.69968162    -12.88032434
  O     13.18901231      7.48499227    -10.72070366
  H     13.42253502      3.39008508     -9.27482167
  H     16.63679675     11.68267403    -13.74502167
  O     10.59591821      5.13339657    -14.35143988
  H     12.86684165      3.39816119     -7.83070782
  H     14.35623410      5.35655405     -8.78318225
  O     11.47919431      5.36604811    -10.50820847
  H     11.30582179      5.86819521    -15.73784029
  H     14.28779363      6.58788392     -9.70944997
  O     16.14683362     10.86556645    -13.78094190
  H     11.19151949      6.20267474    -17.24429894
  H     17.47272289      7.23024957    -11.17472001
  O     14.89993518      6.04014537     -9.19027013
  H     15.08977344      9.24883685    -16.35190319
  H     17.51033438      7.13281870    -12.70624465
  O     17.73564502      6.65087543    -11.89891863
  H     15.03521547     10.35923881    -15.28069381
  H     16.71774611      9.12048223    -13.97672848
  O     16.78035833      8.15953538    -14.05798866
  H     12.10697637      7.93467243    -15.59901153
  H     16.68763889      7.94941141    -14.99659806
          69
 Energy    -250.03956457253702     
  O     12.66610693     12.95408951    -13.08152443
  H     13.22549962     13.24218254    -12.35171830
  H     17.72255126     11.09469528    -16.76327195
  O     20.11688781      8.01146394    -12.66606574
  H     12.26307039     12.11479294    -12.82319791
  H     13.34137840      8.58358166    -14.46107738
  O     17.82028645     11.29683677    -12.18597445
  H     19.87176783      8.70515125    -13.30079875
  H     12.18919363      9.54509806    -14.08644094
  O     12.72270308      9.27866659    -10.44623245
  H     21.06710125      7.93281061    -12.70021670
  H     15.14625697      9.72899560    -13.27478455
  O     16.18665464      6.99993473    -11.52710230
  H     17.77021448     12.24817031    -12.05449832
  H     15.02671960     11.22309173    -13.71541919
  O     14.45132938      7.26238928     -9.32118801
  H     16.94735052     11.03422584    -12.52335563
  H     13.06146423     10.49323389    -17.63048376
  O     18.09764660      6.09483232    -13.46654313
  H     13.16157680      8.48719904    -10.11810247
  H     13.23961408      9.95698161    -16.18941109
  O     14.48925065     12.40929432    -15.02366309
  H     13.34336620     10.00365450    -10.28422157
  H     16.95846232      9.18347056     -9.34528810
  O     17.29540406      8.02400698    -15.26886661
  H     16.82945423      7.67641893    -11.27149980
  H     15.70610161     10.08157145     -9.27048440
  O     18.15650013      8.91326011    -10.80582889
  H     15.56036916      6.92888410    -10.79662096
  H     18.70294008     10.52480006    -13.55837520
  O     16.46414344      9.96818390    -17.11793238
  H     15.04719661      7.98059431     -9.03900412
  H     19.03469580     10.58336434    -15.06758628
  O     18.46733872     11.65578921    -16.47761549
  H     14.28194861      6.72670636     -8.55085883
  H     16.09485810     13.19330322    -14.98546206
  O     12.61895463      9.10989871    -14.83205076
  H     18.86601163      6.58706891    -13.15240494
  H     17.56251451     12.94691565    -15.39447727
  O     15.33023668     10.63891629    -13.00965140
  H     17.42567926      6.19262997    -12.77909362
  H     17.82285769     14.79032183    -12.11485007
  O     13.66245859     10.48581796    -16.89064688
  H     14.14657117     11.84548675    -15.72688992
  H     17.13589749     13.92245105    -13.19737353
  O     16.14692834      9.33324965     -8.84403259
  H     13.75247466     12.68036861    -14.45457508
  H     15.50029104     14.00869248    -11.50634566
  O     19.09515755     10.02006140    -14.28600000
  H     17.87501449      8.72191744    -14.93658603
  H     14.42767251     14.77373544    -10.70354126
  O     17.00251108     13.50168543    -14.84118061
  H     17.56578408      7.21833984    -14.80427730
  H     10.52246635     10.35511403    -12.42228646
  O     17.19120598     14.08639094    -12.23644155
  H     18.05490927      9.80106930    -11.17890997
  H     11.87747983      9.93942917    -11.81027708
  O     14.61953098     13.93037360    -11.10759135
  H     18.91240521      8.52537391    -11.26189993
  H     14.89228532     10.95329575    -11.28831356
  O     11.46549490     10.40189171    -12.56103608
  H     15.51001019     10.10121984    -17.08123911
  H     14.64583029     12.17978646    -10.39882892
  O     14.71556521     11.21975918    -10.37272146
  H     16.65730645      9.16209186    -16.62057280
  H     15.69239167      7.99951333    -14.40374712
  O     14.94745122      8.01818805    -13.78682381
  H     18.94244916     11.90085767    -17.26711362
  H     15.25515761      7.58573908    -12.97906961
          69
 Energy    -250.03915269194144     
  O     10.40133716     10.39228397    -13.09166925
  H     10.21154261      9.93700001    -13.92130699
  H     18.00929970      6.67160675    -15.57029104
  O     14.43457774      7.18000611    -15.34256873
  H     11.24757390     10.83964082    -13.22419987
  H     15.34215149     13.65953048    -14.64257378
  O     17.01549069     10.41810911    -10.88440590
  H     15.08237904      6.88683925    -15.99228925
  H     16.00322998     12.36776013    -14.10962562
  O     18.18129144      9.59631058    -14.99792714
  H     14.92850962      7.73241753    -14.71199334
  H     16.61224474      9.14518113    -14.01943794
  O     12.82180408      9.38599657    -15.84417279
  H     17.27372647      9.55126833    -10.55471873
  H     15.46478315      9.18313575    -12.94505498
  O     15.05036799      6.49322458     -9.72645438
  H     16.05514763     10.37110786    -11.00023465
  H     10.25659963      9.19681395    -11.83190369
  O     13.16194223      5.96329104    -13.19616040
  H     18.53372557      8.69932852    -14.90202377
  H      9.50064547      8.61410238    -10.61270347
  O     14.39194868      9.98385325    -11.69091411
  H     17.88401205      9.66604904    -15.91208037
  H     10.28358353      7.17626444    -12.68953082
  O     17.05758298      9.44736396    -17.62908255
  H     13.32146378      8.56616004    -15.72550144
  H     11.33450677      6.32635870    -13.43692060
  O     15.32816970      4.64724373    -11.94750859
  H     11.88525163      9.15494718    -15.81161068
  H     17.35030316     11.30595777    -12.44234326
  O     16.65826648      6.75391573    -17.03432033
  H     15.09682048      5.73635057    -10.32209438
  H     17.85790966     11.06237934    -13.88839942
  O     18.67710175      6.87137155    -14.90378747
  H     14.26327994      6.98177455    -10.00273840
  H     17.52770841      6.87853101    -11.61223849
  O     15.23296024     12.71352243    -14.59672436
  H     13.82183251      5.38749304    -12.79049651
  H     16.74368258      7.25394117    -12.88314087
  O     15.89099209      8.64262696    -13.62166074
  H     13.56182869      6.31764737    -14.00306302
  H     17.99445748      7.57980907     -9.13070947
  O     10.20681613      8.43449438    -11.22700872
  H     13.85506061     10.48263920    -12.32065152
  H     16.60938433      7.32322080     -9.76775337
  O     10.46241596      6.73217354    -13.52786544
  H     13.85874427      9.23676647    -11.38818464
  H     15.09303186     11.57226667    -16.09870078
  O     17.37455249     11.68637285    -13.33228917
  H     17.45900780      9.88919883    -18.37256949
  H     14.16881832     10.42907143    -16.58242262
  O     17.25046216      6.53647061    -12.47215867
  H     16.28530324      9.98235888    -17.36695482
  H     12.98932818      7.16271618    -11.80262297
  O     17.49370651      7.69573616     -9.93413706
  H     15.68441412      3.76259297    -11.96180600
  H     11.97315508      7.97922913    -10.96165539
  O     14.98272508     10.90710795    -16.78908979
  H     16.05541921      5.24740635    -12.18676395
  H     13.69960599     11.85852039    -13.99497236
  O     12.90612978      7.74291016    -11.03268106
  H     16.80314191      7.67937900    -17.29134385
  H     12.96217621     10.57473738    -14.44990038
  O     13.00714598     11.23458478    -13.74253307
  H     16.81174442      6.22678952    -17.81518395
  H      9.39338154      8.49920736    -15.94033318
  O     10.15294872      8.67696801    -15.39250546
  H     18.30606522      6.59565074    -14.05522638
  H     10.24281419      7.92364481    -14.78109555
          69
 Energy    -250.03806220427998     
  O     18.45224258      8.21797192    -12.41471752
  H     18.34632126      7.28455732    -12.16900955
  H     13.62752522      8.62040288    -16.54341543
  O     14.15696944     10.41729229    -16.57886634
  H     18.53276200      8.26769261    -13.37474705
  H     13.65885520      6.17540232    -11.40642330
  O     13.22624292      7.85049210    -11.74137505
  H     14.09516367     11.03145821    -17.30588257
  H     14.62661901      5.13101146    -12.04674225
  O     12.08441547      3.89035563    -12.77233943
  H     15.04762571     10.52213208    -16.19999607
  H     15.67363396      9.51653445    -12.85667912
  O     12.60604246     10.66836213    -14.17101340
  H     14.09760387      8.07422368    -12.10114014
  H     16.54642741      8.29727650    -12.51005491
  O     16.12300287     11.30668805    -12.72906344
  H     13.05221684      8.50404995    -11.04885806
  H     18.82130889      7.99230147    -15.93905556
  O     16.59123891     10.70495748    -15.41784716
  H     12.65769022      4.29669134    -12.11039771
  H     17.41903307      7.79416900    -15.31765231
  O     13.89480838      3.15157903    -14.87735405
  H     12.67657434      3.48871725    -13.42041547
  H     14.10444808      9.67150711     -9.63432603
  O     17.93253786     10.33594960    -10.77560664
  H     13.10100029     10.66321565    -14.99839918
  H     13.31779692     10.65272715    -10.54101863
  O     10.46898859      5.48078762    -14.27308711
  H     12.16555424      9.81058000    -14.11929003
  H     16.53832809      9.46556822     -9.73061219
  O     12.50011070      5.03656121    -16.24872876
  H     15.28360332     11.63923191    -12.38269560
  H     15.90711208      8.10049177     -9.36776965
  O     13.39194729      7.72053068    -16.28587214
  H     16.72089774     11.14635837    -11.98789800
  H     11.19296500      7.19534111    -14.11243034
  O     14.05640868      5.29863713    -11.28209580
  H     17.23590853      9.99022273    -15.38549398
  H     12.22943340      7.90156565    -13.20053334
  O     15.66219320      8.55236279    -12.79950254
  H     16.50301966     11.03744112    -14.51341198
  H     13.04421942     12.77060479    -11.86285560
  O     18.23907452      8.31343670    -15.25477886
  H     13.94377433      2.34483646    -15.38290235
  H     13.14603914     11.50799903    -12.75058603
  O     13.21659820      9.89358665     -9.95584871
  H     13.44154681      3.80780186    -15.43720412
  H     15.95636046      5.69710163     -8.66885376
  O     15.78952137      9.05413846     -9.28573853
  H     18.70012081     10.68147047    -10.32683685
  H     15.25058564      5.81530785    -10.03592358
  O     11.76160970      7.97145028    -14.04709817
  H     18.23902668      9.59631585    -11.32855509
  H     15.67677082      7.64012977    -14.29949474
  O     13.52695820     11.95549787    -11.97282501
  H     10.98459292      4.91566062    -13.67010863
  H     14.99917120      7.21300725    -15.62042495
  O     15.99077090      6.15479488     -9.50604505
  H      9.56071030      5.19938035    -14.20472906
  H     17.13636399      5.25958330    -12.33758469
  O     15.79310181      7.08355927    -15.08667661
  H     12.83397398      5.91884025    -16.45409106
  H     17.23381098      5.80945466    -10.89689156
  O     17.72671420      5.71236823    -11.72185801
  H     11.71443150      5.17439632    -15.70408768
  H     15.19190595      4.11906899    -13.96183328
  O     15.70938861      4.79249757    -13.50284951
  H     12.81984236      7.80500276    -15.50704953
  H     15.76479526      5.54541316    -14.10789750
          69
 Energy    -250.03787294685145     
  O     14.14591822      6.51701240     -8.24298469
  H     13.22068206      6.31739123     -8.45102111
  H     12.47512325      7.16632344    -13.95839485
  O     13.55277725      5.10254113    -15.85725034
  H     14.68773972      5.85316355     -8.68509436
  H     15.97124409      9.42560317    -13.63329067
  O     16.92024505      6.40266888    -14.73137731
  H     14.16399537      5.65835473    -16.35795618
  H     15.14718398      8.19798661    -13.13267738
  O     15.50368283     11.01077013    -14.43547660
  H     14.10351840      4.60470781    -15.24215338
  H     13.30840574      8.15005816    -12.00530295
  O     10.09096028      6.65910401    -12.45402683
  H     16.56253513      6.50859057    -15.62118393
  H     13.60916306      6.62528117    -12.24779236
  O     17.29417494      3.40013741    -11.80928522
  H     16.65349159      7.19910133    -14.24686455
  H     11.31305601      5.41415820     -9.65837500
  O     11.09438699      4.31648569    -11.22066208
  H     15.87904870     11.88594144    -14.46459668
  H     11.11069983      6.90626825     -9.36285637
  O     16.76922384      7.58695969    -10.77367555
  H     14.62867901     11.08930664    -14.01172555
  H     14.33329307      4.90573644    -11.08550925
  O     13.04381725     10.97590435    -13.34085885
  H     10.56655849      6.71618316    -13.29213776
  H     14.19703620      4.59104517    -12.59556536
  O     14.40086039      9.28997851    -16.43797484
  H     10.31493745      5.79632869    -12.08098650
  H     15.67127178      6.88650053    -18.01507634
  O     11.72577292      9.50997496    -15.43590065
  H     17.79855139      4.20934623    -12.01292104
  H     15.07440166      7.74455075    -16.87589128
  O     11.84978131      6.91082336    -14.65567143
  H     17.93114991      2.70052972    -11.69246111
  H     15.93760565      4.96251544    -14.16046357
  O     16.04670335      8.54013242    -13.26042163
  H     12.02755370      4.44547534    -11.46496605
  H     16.02627338      3.72860856    -13.24232282
  O     13.60537431      7.50043084    -12.65644501
  H     10.91965763      3.38109917    -11.28081254
  H     18.06910674      6.46631223    -11.78738070
  O     11.53048661      6.10698383     -9.02390946
  H     16.57031653      7.97542850    -11.63863332
  H     18.08198521      6.02063932    -13.26866591
  O     13.69648912      4.85715839    -11.81176984
  H     16.26459487      8.10924821    -10.13891439
  H      9.53879560      8.74210442    -10.13959767
  O     15.44945947      6.87109457    -17.08776997
  H     12.93335870     10.55169663    -12.48002709
  H     10.23819850      7.80841357    -11.15674585
  O     15.43703109      4.19387611    -13.84837893
  H     12.48926554     10.49864715    -13.97066979
  H     16.16849310      5.91126122    -10.29231892
  O     18.41710206      5.79776509    -12.38937389
  H     13.46984065      9.38108219    -16.20232800
  H     16.31988599      4.38013615    -10.48447695
  O     10.38541583      8.37202547    -10.37528935
  H     14.87304403      9.90733565    -15.86685486
  H     15.16943455      9.48300537     -8.29761979
  O     15.79475596      5.05410762    -10.03673189
  H     11.67786746      8.56390294    -15.21561157
  H     14.61108288      8.09323998     -8.69086680
  O     14.90787634      8.95254939     -9.04572452
  H     10.91766226      9.72655138    -15.89391808
  H     12.00943801      9.18936692    -10.61370283
  O     12.86815008      9.50753791    -10.92477532
  H     12.29836588      6.21924185    -15.16094065
  H     13.52190555      9.38753356    -10.22387453
          69
 Energy    -250.03739353500052     
  O     16.08680408     11.94967478    -12.16974946
  H     16.65205996     11.19073810    -11.97922094
  H     12.58826704      8.18143674    -14.27640510
  O     17.78224725      7.90170054     -8.06370974
  H     15.75596132     12.23251511    -11.30893809
  H     14.61657520     13.10729268     -9.12249091
  O     15.31975580      5.73920620    -12.04235339
  H     18.41095976      7.95110602     -8.79420969
  H     13.98539981     12.05442061    -10.06335832
  O     11.98493850      4.96700953    -10.59427914
  H     17.14323820      8.61192078     -8.20966530
  H     14.69842096      8.84369277    -14.45895296
  O     17.87983335      5.47668507    -10.83921158
  H     15.00568034      5.78171475    -11.12635678
  H     14.44159799      9.19561973    -15.94264625
  O     16.88070369      5.34666986     -8.15209678
  H     14.58740088      5.38571308    -12.56077950
  H     18.84230724      6.92850184    -10.69540287
  O     17.28300979      9.54413759    -11.27328730
  H     12.80009344      5.11716786    -10.09705912
  H     20.22264496      7.63060503    -10.68583594
  O     10.81001177      8.78622465     -8.60524324
  H     12.24586520      4.88717509    -11.51862573
  H     14.09281412      6.59675235     -9.09907944
  O     15.83020223      9.77146947     -8.87845739
  H     17.58355393      5.27316455     -9.94273114
  H     15.19649166      5.51752543     -8.89538199
  O     13.45384267      8.86345269    -11.49543847
  H     17.08540778      5.47186221    -11.38768452
  H     11.73515436     11.32487354    -11.01089228
  O      9.83242499      6.50739988    -10.04182082
  H     17.16276000      4.86129584     -7.38175838
  H     12.88431663     11.67177435    -12.04558096
  O     12.11315521      7.70034781    -13.58790574
  H     17.18565767      6.26471301     -8.03495517
  H      9.72599280      7.68869666    -11.48821237
  O     14.80071144     12.29650292     -9.58969330
  H     16.77162695      9.59447212    -10.45277496
  H     10.42540516      8.12595717    -12.79669053
  O     14.02349834      9.15813162    -15.08604866
  H     18.06916773      9.01935414    -11.07923082
  H      9.22730255     11.14063019    -10.70726912
  O     19.29662687      7.76993595    -10.50867649
  H     10.44164495      7.98894347     -9.00832132
  H      9.92060664      9.88839807    -11.29056427
  O     14.40866096      5.73448882     -9.40784995
  H     10.56065965      9.50781001     -9.19349015
  H     12.57887493      4.53684112    -14.04701979
  O     12.67470004     11.52240545    -11.10834873
  H     15.54138249     10.68491947     -8.99804156
  H     12.55919765      5.97588387    -13.47826062
  O      9.75207013      8.38628183    -12.15739228
  H     15.02706403      9.24475847     -8.75786689
  H     13.76009427     10.88231818    -14.17357865
  O     10.05530816     10.66765657    -10.72219247
  H     13.24592236      9.80289553    -11.40227641
  H     14.60090744     11.78761444    -13.23674724
  O     12.88269943      5.07305916    -13.31917141
  H     14.27374194      8.78093897    -11.99835277
  H     13.48756921      8.41075571     -9.81300982
  O     13.71048247     11.65168460    -13.59816656
  H      9.13854719      5.93670622     -9.72177146
  H     12.59939058      8.45287394     -8.55889481
  O     13.49983190      8.26184190     -8.85328678
  H     10.60177759      5.93729124    -10.21651045
  H     16.33168059      8.72961611    -12.54008611
  O     15.68474385      8.27319534    -13.09605686
  H     12.46300373      8.04931491    -12.75190440
  H     15.62635307      7.35908543    -12.78343644
          69
 Energy    -250.03676276924847     
  O     15.22369166     12.07443895    -16.86868672
  H     14.86639724     11.84521804    -15.99262556
  H     19.94023740      5.08831401    -13.03491264
  O     15.58205408      6.05845501    -12.89632198
  H     14.99177271     12.98549959    -17.02741497
  H     17.69771364      9.02745981    -19.93385534
  O     19.26578179      8.35819892    -12.50080518
  H     15.09843599      6.83968567    -12.59683355
  H     17.30384914      8.03730393    -18.81768257
  O     17.23611081      6.35669819    -18.32923025
  H     16.36959596      6.00600617    -12.33729955
  H     15.75544715      7.64513373    -15.61321873
  O     14.75703718      5.23763959    -17.36433273
  H     19.89502760      7.78905997    -12.95938144
  H     16.24423499      6.95451263    -14.31535440
  O     14.53095265      8.50575475    -12.04050812
  H     18.87404972      8.91485798    -13.19074267
  H     14.90021324     11.24692082    -13.74438908
  O     17.97063447      9.70842818    -14.53028423
  H     16.39746370      5.95608430    -18.07046442
  H     13.67706745     10.56322818    -14.38694233
  O     18.11738126      3.34747762    -14.77482129
  H     17.86361691      6.13303629    -17.63087897
  H     11.86545623      8.76988120    -14.37147870
  O     15.97171453      7.91546891     -9.72323274
  H     14.97615271      4.82318512    -16.51026121
  H     13.23145423      8.42004488    -15.00372358
  O     18.66456994      5.88459517    -15.91664831
  H     14.24349128      4.60150502    -17.85523007
  H     20.03463573      6.35515759    -14.82705502
  O     15.41402115      4.16376454    -14.96692760
  H     13.81148641      8.58339321    -12.67925891
  H     21.53465328      6.59639916    -14.54563344
  O     19.32604282      4.46456747    -12.62758264
  H     15.14123089      9.23235600    -12.24132083
  H     18.28690674      7.07408046    -11.66539940
  O     17.30797808      8.97802656    -19.06460918
  H     18.05384436     10.20420235    -15.35620633
  H     17.24005350      6.77417180    -10.56278144
  O     16.54168169      7.45283264    -15.08795548
  H     17.46038930      8.91256653    -14.74345738
  H     18.52619125      9.46572040    -11.04476024
  O     14.24519967     11.33850623    -14.44992343
  H     18.52118958      3.66448320    -13.94701989
  H     17.33898145      9.29748377    -10.07542238
  O     12.80702157      8.83041185    -14.23049950
  H     18.48865873      2.48658989    -14.94875261
  H     14.78761082     10.53555530    -17.84685837
  O     20.68590419      6.50115324    -14.12059190
  H     15.44756253      7.86480962     -8.92757562
  H     15.54140070      9.44426431    -18.63193209
  O     17.78941577      6.35956272    -11.23850276
  H     15.35799702      8.11570230    -10.44851157
  H     16.82501013     10.39928118    -13.33916247
  O     17.89547837      9.95839923    -10.50387265
  H     17.91646124      6.44302839    -15.65195829
  H     16.76894809     10.60219927    -11.80950571
  O     14.68165201      9.66447058    -18.25063825
  H     18.46386434      4.98394496    -15.62961449
  H     17.74603631     10.25016271    -17.69053913
  O     16.22813897     10.62578379    -12.61030962
  H     16.29331980      3.77102592    -14.89988692
  H     16.99562951     11.38027534    -16.96076539
  O     17.83366592     10.90052740    -16.98306294
  H     15.32818246      4.73987200    -14.19580651
  H     14.18779791      6.90646009    -16.79298185
  O     14.09312821      7.78260333    -16.40001200
  H     18.80270695      4.98420196    -12.00312514
  H     14.24054063      8.44595549    -17.09352045
          69
 Energy    -250.03664702101534     
  O     11.47928974      9.97004828    -11.45190901
  H     11.87580169     10.45799806    -12.18515738
  H     15.64672437      4.83728793    -16.51670810
  O     13.97497055      6.81503902    -14.60620999
  H     11.08659806      9.17837524    -11.83896990
  H     18.27114624      7.74033237    -16.84594698
  O     18.03161654     11.01879273    -11.18537235
  H     13.29308389      7.44839062    -14.86856919
  H     17.51943050      6.56816036    -16.18548770
  O     17.77835232      9.14201281    -18.02047189
  H     13.82611662      6.63591134    -13.66755622
  H     15.44572374     11.36788599    -15.81430088
  O     12.00081008      8.74159924    -14.87306104
  H     18.00165180     10.17340135    -10.70047019
  H     14.69911463     12.63179329    -16.29846663
  O     15.48525927      7.53776364     -8.74661557
  H     18.45352641     11.65229769    -10.61152097
  H     16.33949752      9.12486193    -14.62027027
  O     13.41139121      6.65537670    -11.88615206
  H     18.16515690      9.36053933    -18.86309831
  H     15.28858023      8.02674032    -14.23917767
  O     15.40718607     10.48083490    -12.03397554
  H     16.91416204      8.72565245    -18.20168782
  H     17.05660927      7.54889037    -12.86052414
  O     15.41523725      7.91874803    -18.26562365
  H     12.38326328      9.50659106    -14.41732466
  H     18.51120583      7.07267232    -12.77588503
  O     15.69816690      5.57812202    -10.86778910
  H     11.43422837      8.29657750    -14.23178955
  H     11.68765125      7.01718429    -12.35270836
  O     16.97646005     10.48974725    -15.70801979
  H     15.17474343      7.47177112     -7.84725529
  H     10.16659548      6.77086038    -12.46742889
  O     15.77977345      5.77362603    -16.38896812
  H     14.82973525      8.06903208     -9.22984762
  H     19.30994727      9.48589594    -13.81237236
  O     18.35266770      7.05362225    -16.17291117
  H     14.13384797      6.09275985    -11.57037805
  H     18.70350177     10.60611934    -12.92868204
  O     14.56550926     11.77076495    -15.91003510
  H     13.52588834      7.49422683    -11.41863996
  H     19.32518473      7.39758828    -14.78575423
  O     15.99894315      8.58191144    -13.89804758
  H     15.62406692      9.79314969    -12.68358572
  H     20.71850859      7.32168679    -14.11633995
  O     17.66281769      7.02109818    -12.31997471
  H     16.24826157     10.83038554    -11.71950184
  H     17.83329405      8.00860455    -10.77949006
  O     10.85045353      7.41026146    -12.65036953
  H     14.65777703      8.43798237    -17.95587234
  H     17.09284523      8.28167854     -9.45766619
  O     18.94518389     10.37917100    -13.83463886
  H     15.45237565      7.12321670    -17.72296424
  H     12.75542220      9.19858452    -16.56037259
  O     19.82780286      7.63460979    -13.98458295
  H     16.43812290      5.92068559    -11.38743781
  H     13.76125240     10.31516393    -16.87290234
  O     17.80956431      8.60299102    -10.01609081
  H     15.69503731      6.09258960    -10.05086984
  H     14.44145790      9.53457884    -10.85667272
  O     13.40122032      9.48847080    -17.21579098
  H     17.71863511     10.56137673    -15.08703486
  H     12.93427544      9.36566724    -10.54820084
  O     13.80795333      8.99410652    -10.36233131
  H     17.30431784     10.09560024    -16.52618022
  H     13.52241878     11.36027411    -14.39816170
  O     13.14936896     10.96207342    -13.60128193
  H     15.11282933      6.06259155    -15.74481618
  H     13.89542890     10.88243634    -12.98996265
          69
 Energy    -250.03601009471498     
  O     -2.82853243      4.74768839      3.24820000
  H     -2.80028917      4.14843642      2.48335506
  H      1.07171568      3.66001226      2.93763293
  O      1.73156636      9.97499298      0.20193820
  H     -3.42766910      4.35720149      3.87978628
  H     -0.89212209      4.70838440     -3.57991465
  O     -0.81170704      7.87108325     -1.96570332
  H      0.97004939     10.27135365     -0.31200480
  H     -1.03668307      3.20330915     -3.15409303
  O      0.86627686     10.11047130      2.76872429
  H      1.81405104      9.02873922      0.01766137
  H     -1.31866931      1.24529815     -2.21034282
  O     -1.72757747     10.07608920      1.53409159
  H     -0.78311752      8.81709900     -1.77645355
  H     -2.71133408      1.93368470     -2.19210259
  O      1.39820213      7.21000629     -0.21088045
  H     -1.47610602      7.49948032     -1.36346183
  H      1.32530537      1.92990782     -1.71185422
  O     -2.54909917      6.61182419     -0.27372419
  H      1.26945370     10.13742292      1.88153106
  H      1.14654569      3.21417814     -2.52804644
  O     -2.37893777      7.41663448      2.36662853
  H      1.37827953     10.69031922      3.32509197
  H      0.24089412      5.74998519      3.24070557
  O     -0.76201457      4.54586013     -0.42282002
  H     -2.14929960      9.26731434      1.84830592
  H     -0.93174378      4.79684144      3.56419815
  O     -2.54960915      3.10932447      1.05703966
  H     -0.93137817     10.18385410      2.07042962
  H     -5.06141990      2.38385519     -1.37643615
  O     -0.36064165      1.31551714      1.35595908
  H      0.71982960      7.26919019     -0.89449501
  H     -4.10725356      3.57736198     -1.60829709
  O      1.63957941      3.00888167      2.48612975
  H      1.73246816      6.30245506     -0.18934199
  H     -1.83237945      6.74064498     -4.85137665
  O     -0.45294618      3.97909237     -3.13048029
  H     -1.91265001      5.87852888     -0.26313751
  H     -1.40166510      6.90398332     -3.37670319
  O     -1.94971975      1.74000281     -2.75036912
  H     -2.60872053      6.94811785      0.62766943
  H      1.99847503      4.00283080      0.93455309
  O      1.77473688      2.74706658     -1.95923871
  H     -2.66969393      6.58354996      2.75698197
  H      2.03907519      3.88457952     -0.62102639
  O      0.02924454      4.86411469      3.56703928
  H     -1.40941963      7.39918622      2.39340802
  H     -3.31039532      5.46916715     -2.98886371
  O     -4.17998122      2.69866008     -1.19358507
  H      0.15049914      4.55569121     -0.11126503
  H     -3.59642741      5.74854781     -1.51269659
  O     -1.80390782      6.28833326     -4.01200610
  H     -0.72350395      4.32295017     -1.36333695
  H      0.73723469      7.27938478      1.49739988
  O      1.96998720      4.51271272      0.11626794
  H     -1.85896555      3.58240540      0.56520435
  H      0.62488876      8.25869227      2.69320314
  O     -3.86394185      5.18581916     -2.25379058
  H     -3.21631739      2.87564832      0.39958544
  H      0.35420261     -0.40033477     -1.19959726
  O      0.40514792      7.36528030      2.40188478
  H      0.32900315      1.85199316      1.76638909
  H     -0.05337239      0.76177843     -0.26548193
  O      0.10491894      0.52023640     -1.19473635
  H     -1.17304875      1.83580079      1.38592404
  H     -1.17511214     11.33071909     -1.32927248
  O     -0.81955917     10.50933711     -1.00048053
  H      2.28835587      2.71995437      3.12241255
  H     -1.21835364     10.36396145     -0.12359120
          69
 Energy    -250.03600984093697     
  O     -3.66879921      4.77715377      2.43230717
  H     -3.44131000      4.23310865      1.65955190
  H     -0.10108386      7.24409079     -4.76165899
  O      1.91243512      9.79803116      1.41264516
  H     -4.45593287      4.39564745      2.81339716
  H      1.10617694      2.33406405      3.67397449
  O      0.04317803      8.07703746     -1.61011817
  H      1.36613597     10.19381705      0.72215093
  H      0.06445447      3.38522236      3.21793602
  O      0.30589572      9.82538584      3.59753981
  H      1.99133761      8.86355980      1.17453454
  H      0.27730860      5.05445800     -3.46060747
  O     -1.77657564     10.09972582      1.63748671
  H      0.06816627      9.00144738     -1.33366116
  H     -0.08117229      3.54094338     -3.24098709
  O      1.55897394      7.10761432      0.66203672
  H     -0.79571447      7.72192544     -1.27490250
  H     -0.75717818      1.55241485     -2.61413629
  O     -2.20388366      6.85440391     -0.64932084
  H      0.96438923      9.88036878      2.88077804
  H     -2.04366305      2.35418637     -2.95447694
  O     -2.81054608      7.45348723      1.98150542
  H      0.65442528     10.31876602      4.33443664
  H      1.63909332      1.97207946     -1.27634863
  O     -0.58464297      4.65912160     -0.44212066
  H     -2.32217902      9.30976349      1.73222344
  H      1.79830207      3.32125480     -1.98476736
  O     -2.82432635      3.27957688      0.28578762
  H     -1.18020647     10.10102085      2.39744623
  H     -0.69335084      5.51185988      3.44868366
  O     -0.94589722      1.28886275      1.06508272
  H      1.12992247      7.27257282     -0.18632885
  H     -1.96313803      4.64182466      3.31126568
  O     -0.36045045      6.73295780     -3.99915903
  H      1.81548964      6.17558571      0.69902982
  H     -4.49953543      2.94464446     -2.85084986
  O      0.70420987      2.72150108      2.90094994
  H     -1.64676393      6.07053686     -0.51488131
  H     -3.45109436      4.06571894     -2.67027360
  O      0.51181561      4.26047261     -2.96935122
  H     -2.51908600      7.13011765      0.21888540
  H      1.58364304      3.78814629      1.63092817
  O     -1.15976758      2.13605054     -3.27131071
  H     -3.25678650      6.62280447      2.18591455
  H      2.09595688      3.77685491      0.15686491
  O      2.19088188      2.76326776     -1.29855576
  H     -1.89961191      7.35153243      2.29898678
  H     -2.15540490      5.97523409     -3.56168199
  O     -1.04787448      4.62648140      3.61140314
  H      0.18577347      4.56897475      0.13074715
  H     -2.86647540      6.17320415     -2.22223320
  O     -3.70066433      3.16937849     -2.38099115
  H     -0.27066630      4.50071717     -1.34327021
  H      0.40773698      7.11244820      2.08838685
  O      1.83990003      4.35503000      0.89380085
  H     -1.98858689      3.72549083      0.07272046
  H     -0.01014570      8.01093408      3.27990327
  O     -2.92488376      5.68903767     -3.05866442
  H     -3.26786017      3.15063374     -0.56156287
  H      0.42024795     -0.29712457     -1.30223141
  O     -0.18191146      7.16234058      2.85361953
  H     -0.38621645      1.73426680      1.71334557
  H     -0.18606708      0.82673926     -0.43130981
  O      0.23699201      0.63872418     -1.28722052
  H     -1.69528715      1.87314729      0.89590100
  H     -0.29247707     11.50150773     -0.79364839
  O     -0.10553234     10.63162487     -0.45079533
  H     -0.13832696      7.26569360     -3.21730832
  H     -0.76372867     10.45928673      0.24646932
          69
 Energy    -250.03448230429615     
  O      1.05060081      2.40907417      3.41045502
  H      1.63966161      1.64572037      3.38460193
  H     -4.09308764     -1.21278724      3.85097394
  O      0.42897726      3.45126020      0.81429808
  H      0.93116879      2.72098912      2.50572705
  H     -2.81995478     -0.50590831     -0.40599523
  O      1.43256228     -2.96830285     -2.61789942
  H      0.53024387      4.38446992      0.64573062
  H     -2.76300747     -2.04580397     -0.15684761
  O     -1.80770936     -0.50220874     -3.83612953
  H     -0.52872616      3.26731624      0.80644781
  H     -1.73781895     -3.39374509     -2.25207395
  O      0.99357876     -0.35374164     -3.18957296
  H      1.35660933     -2.01839856     -2.82220111
  H     -0.43869144     -3.18004612     -3.04291601
  O     -2.71183929      1.54175669      3.21238432
  H      2.15063915     -3.30644740     -3.14609024
  H     -1.59931026      0.15876675      2.58592313
  O     -2.65788480     -4.62510325      2.17969608
  H     -1.74314501     -1.44581721     -3.60328578
  H     -1.89825814     -0.81896223      1.42808516
  O     -1.97652829      0.78566386     -1.34486399
  H     -2.27338305     -0.45491096     -4.66660289
  H      1.03486247     -2.18893254      0.41344986
  O      0.77813008      1.24329981     -0.89958046
  H      0.09437660     -0.30230878     -3.53580084
  H      1.08362579     -3.14852175     -0.79479089
  O     -4.28863030     -2.28098338      2.49194490
  H      1.03541129      0.28567249     -2.46560888
  H      0.19025295     -1.24724498      5.14556684
  O     -0.38842366     -3.17722389      2.71480619
  H     -3.28246916      0.89960929      3.65454586
  H      0.62009652     -2.36988479      4.17880826
  O     -3.96560082     -0.56932012      4.56992050
  H     -2.17502194      1.95471761      3.90250063
  H      0.39730524     -0.47927880      1.46234498
  O     -3.13244639     -1.21454113      0.17273250
  H     -1.84799382     -4.18352945      2.48847928
  H      1.89923392     -0.37729316      1.83382231
  O     -1.39780439     -3.08834791     -3.10321332
  H     -2.68599263     -5.47840632      2.60485375
  H     -0.19274160      2.44681297      4.58793007
  O     -1.23912365     -0.58923911      2.09755969
  H     -2.03351080      0.43945865     -2.24450263
  H     -0.85828140      3.15206346      5.79537300
  O      0.77014916     -3.07207658      0.11534615
  H     -1.03460878      0.92553555     -1.17320679
  H     -2.18667871     -0.54552681      5.37240665
  O      0.96438738     -1.66579512      4.73850810
  H      0.76367648      2.08680155     -0.43215439
  H     -1.16078622      0.56845988      5.64533747
  O      1.29625283     -0.54801553      1.10069673
  H      1.05157267      0.58553748     -0.24264431
  H      3.50399736     -0.04740195      3.83026838
  O     -0.95378210      2.41705226      5.19666631
  H     -4.07666181     -1.84306644      1.65604021
  H      2.05604792     -0.57672252      3.97796386
  O     -1.29267038     -0.38650094      5.69613052
  H     -3.86267388     -3.14457832      2.44703168
  H     -0.99430791     -3.45927548     -0.21835534
  O      2.62531256      0.03135526      3.47009858
  H      0.14422542     -3.31607305      1.92081366
  H     -2.26412102     -4.13653218      0.35828000
  O     -1.92472069     -3.65594573     -0.40541952
  H     -0.73420835     -2.27262810      2.64793287
  H     -2.48946257      2.34565701      1.54737595
  O     -2.17946849      2.76042394      0.73081707
  H     -4.75332625     -0.60330964      5.10637851
  H     -2.32656830      2.13136888      0.01455597
          69
 Energy    -250.03415050541329     
  O     -3.59755670      1.36532909      0.78174018
  H     -3.93439551      2.20390254      0.47901524
  H      0.41127385     -4.90457773      0.04280034
  O     -4.23145454     -2.36158564      7.03493047
  H     -2.71159533      1.53261026      1.15148430
  H     -0.98107774     -1.24275028      2.91409426
  O     -1.14966084      1.62273005      1.90840117
  H     -4.38769766     -3.22646980      6.61230720
  H     -0.26330267     -1.23689487      1.54020981
  O     -4.24838292     -0.34490088      2.91600486
  H     -4.52577918     -2.43937464      7.93864144
  H     -1.30719870     -4.77340522      1.37854684
  O      1.04177775     -3.19637999      5.83484917
  H     -1.19741534      1.16600529      2.75821330
  H     -1.37652111     -3.33797101      1.97467911
  O     -4.57077665     -4.65832183      5.62565641
  H     -0.47546655      1.16997361      1.38431744
  H      1.02395931     -2.40516769      2.89989561
  O     -1.66830745     -2.28091391      5.85047301
  H     -4.21611297     -1.20587814      2.47306427
  H      1.93935576     -3.66069576      3.01167234
  O      0.49196328     -5.81237714      5.35006990
  H     -4.17853463      0.32330733      2.22371021
  H     -3.47166476     -3.38384107      1.69720294
  O     -6.20792127     -3.69351960      3.46312006
  H      1.43856822     -2.86811230      5.01818553
  H     -4.95329242     -3.22015227      2.14850533
  O      1.72872640     -5.40601838      2.80730168
  H      0.20611463     -2.72705109      5.95335478
  H      2.60781945     -2.01736039      1.63869932
  O      0.98229980     -3.43872420     -0.67271952
  H     -3.68863893     -4.83011565      5.26553524
  H      3.73825689     -1.59113996      0.67462495
  O      0.04327142     -5.67891723      0.50702671
  H     -5.14232536     -4.48680335      4.86805635
  H     -1.67157935     -0.78576008      4.80214046
  O     -0.55443233     -1.81100844      2.25841641
  H     -2.46784371     -2.19576593      6.38467315
  H     -2.65856060     -0.17278309      3.77249382
  O     -1.86250223     -4.17429465      1.89061478
  H     -1.76967979     -3.11244900      5.36453345
  H      1.39035481     -0.45553862      0.43249488
  O      1.91718572     -2.69775963      3.13480270
  H      0.74956211     -4.90693077      5.60424433
  H      0.10380508     -0.41864337     -0.44170160
  O     -4.25374049     -2.81886634      1.61813131
  H      0.77179085     -6.38770331      6.05679923
  H     -1.69661472     -1.41637739     -1.24476076
  O      2.79137875     -1.67902603      0.74552704
  H     -7.12420973     -3.92410470      3.33372848
  H     -0.94938212     -1.31128336     -2.59405498
  O     -1.74252107     -0.13969869      4.08624952
  H     -6.19672474     -2.86851309      3.98239321
  H     -5.35245332     -1.57331460      5.66527869
  O      0.51995552     -0.04526843      0.34722130
  H      1.14800382     -5.62129416      2.06776532
  H     -5.37812282     -0.87338601      4.28319736
  O     -0.81798935     -1.46871991     -1.66281194
  H      1.29145876     -5.71103127      3.61200994
  H     -1.96041769     -4.63739809      3.62681222
  O     -5.90817211     -1.40309640      4.89535560
  H      1.66468151     -2.90243210     -0.25321736
  H     -1.19828734     -5.25071393      4.84168128
  O     -1.99552960     -4.77207566      4.58370797
  H      0.34528590     -2.82150280     -1.05417101
  H     -3.38043726     -0.29209180     -0.11334643
  O     -3.20752047     -1.17765298     -0.45652170
  H      0.03913026     -6.39914524     -0.11736035
  H     -3.64280602     -1.79270340      0.14636387
          69
 Energy    -250.03321179575670     
  O     17.98656793      9.06542242    -10.71574006
  H     17.64607384      8.29942862    -10.23617754
  H     18.81049754     10.16223564     -9.55087275
  O     13.87822990      9.66424470    -10.87632738
  H     17.26895183      9.44009408    -11.24196070
  H     20.02001149      9.72740500    -12.98762369
  O     21.51573208      6.91086393    -11.84457301
  H     14.38755826      9.98978594    -10.11041595
  H     19.17687709      8.88382541    -11.99969388
  O     15.39515503     10.63064041     -8.90391851
  H     13.00616825     10.04221281    -10.80489534
  H     19.87692405      4.43862715    -13.07663072
  O     22.87141195      8.49640431     -9.94918391
  H     22.12939244      7.36378923    -11.25349528
  H     20.97939845      5.51051823    -13.08248782
  O     16.76901437      8.80274598     -7.34173666
  H     20.96089650      7.60546666    -12.22967551
  H     18.01303966      5.44692078    -12.58262597
  O     20.95112963      7.43015797     -8.11604574
  H     15.98725358     11.37505145     -9.05111710
  H     17.14172616      4.68104292    -11.56244072
  O     19.53667378      9.21818502     -6.66545435
  H     15.84921813     10.02307852     -8.30087196
  H     15.26323278     10.06646996    -12.02295357
  O     17.26921946      6.81811872     -9.25251714
  H     23.79226537      8.67137921     -9.77499578
  H     16.05374827      9.42759658    -13.19649008
  O     17.36587125     12.69286814     -9.41036751
  H     22.45638390      9.35329922    -10.15616832
  H     15.61155480      7.82326066    -15.14659748
  O     17.85906278     12.26607865    -12.19375579
  H     16.86472713      8.02713391     -7.91157653
  H     16.77138654      7.42523286    -14.20710284
  O     19.25576016     10.78540862     -8.95513768
  H     17.64907221      8.95815806     -6.98149743
  H     21.29326821     11.13150595    -11.33880342
  O     19.74320716      8.82693423    -12.78534138
  H     21.65575918      7.78572847     -8.67180286
  H     20.84226676     10.89758278     -9.88688864
  O     20.44656658      4.94834870    -13.66210643
  H     20.52943033      6.73410298     -8.63443242
  H     14.86773955      7.30679012    -12.75793860
  O     18.01856779      4.70325858    -11.96575225
  H     19.90758908      9.27388798     -5.78925943
  H     14.18554232      7.91412724    -11.50993874
  O     16.08916176     10.11758632    -12.52270813
  H     20.04246940      8.53374590     -7.14025720
  H     18.82817121      7.54979168    -13.63195457
  O     15.90820097      7.87193861    -14.24119169
  H     18.14951911      6.44919224     -9.41104345
  H     19.07480186      6.11579755    -14.13595484
  O     21.60472373     10.82992344    -10.47792735
  H     16.63283015      6.19725103     -9.62628443
  H     20.65994756     12.14767714    -13.63975966
  O     14.42763722      7.07939091    -11.92991301
  H     17.47256284     13.47706855     -8.87777147
  H     19.47302016     11.86140023    -12.69014862
  O     18.37641604      6.76588273    -13.97921196
  H     18.09262916     12.09088018     -9.17264970
  H     15.08692677      5.73806878    -11.08989743
  O     20.35962928     11.55620824    -12.95526601
  H     17.20083196     11.59557478    -12.42165098
  H     14.89345177      4.42894816    -10.28308595
  O     15.55581893      5.03147725    -10.60963297
  H     17.66157528     12.52996118    -11.28724281
  H     19.14605227      5.23755986    -10.62836336
  O     19.71894287      5.74883116    -10.03967025
  H     19.37106940     10.33536203     -8.10901672
  H     20.37573602      6.15388438    -10.62340636
          69
 Energy    -250.03280834693629     
  O     11.16491358     10.64862511    -15.29982441
  H     11.14648583     11.29766042    -14.58722645
  H     18.88386945      7.52232295    -15.65077574
  O     15.00322608      7.60181708    -11.38024160
  H     11.13906678      9.78088208    -14.87764072
  H     16.39692763     10.55752152    -10.46723736
  O     17.19111378     11.50921813    -14.19509753
  H     15.40613631      7.27382855    -12.19434271
  H     17.29829692      9.54134711     -9.73918537
  O     12.39448484     11.01524989    -17.69483758
  H     15.59265470      8.29151578    -11.05597515
  H     17.38250929     10.86777576    -17.25756440
  O     14.50925221     10.82839685    -13.90070917
  H     17.04404601     11.44537605    -15.14937768
  H     15.88645984     10.53763307    -17.05703608
  O     12.38851978      8.48851821    -11.60410920
  H     17.58165085     10.67860152    -13.89280450
  H     15.72820523     12.67268572    -11.09280535
  O     13.76933938     13.52895744    -14.25039916
  H     11.93838514     10.87824055    -16.84528656
  H     15.60616734     12.77898461     -9.55436338
  O     16.87109012      7.77392311    -18.14459870
  H     11.71606094     11.14490012    -18.35224955
  H     11.63852179      8.21329088    -13.11950005
  O     13.15315103     11.20894062    -11.52905105
  H     15.46831136     10.94219677    -13.90024162
  H     10.66950161      7.38973959    -14.00289431
  O     17.62650354      6.14087644    -16.11656361
  H     14.16025531     11.69377394    -14.15187443
  H     15.14673171     12.53140246    -16.93534607
  O     16.14088035      7.11517551    -13.93827549
  H     12.51727460      9.42391692    -11.40887572
  H     13.63910824     12.37120513    -17.22520333
  O     19.33772531      8.35744970    -15.47999778
  H     13.26000917      8.07965727    -11.49166504
  H     17.30663284      8.38870343    -13.40699697
  O     16.84961199      9.70653449    -10.56637557
  H     13.88345571     13.47420015    -15.21300834
  H     17.69664259      9.29623664    -12.21717256
  O     16.55907184     11.21314805    -16.89010751
  H     12.83945364     13.40784006    -14.03372406
  H     15.24711559     13.64909013    -13.10979817
  O     15.52651088     12.16815027    -10.28199537
  H     17.54819752      8.46096378    -18.17400118
  H     16.59479727     12.90578346    -13.13001399
  O     11.30215832      8.10188243    -14.02830351
  H     16.02699357      8.23485126    -18.04558818
  H     14.36480244      8.86335028    -16.63124444
  O     14.29433556     12.97841500    -16.85958672
  H     13.64118761     10.94802286    -12.32713488
  H     13.84376070      9.82952846    -17.71273965
  O     17.93558237      9.06989767    -13.12345488
  H     13.82101430     11.56744644    -10.93507384
  H     10.59653225     12.92459754    -12.66866288
  O     16.03155463     13.46387162    -12.57532117
  H     17.83634221      5.27159839    -16.44675682
  H     11.88860327     12.09925400    -12.47755092
  O     14.59915050      9.27880008    -17.47439007
  H     17.31056462      6.66227535    -16.87656544
  H     19.66137121     10.04060753    -18.16539230
  O     11.32194584     12.52496758    -13.14225962
  H     15.34480945      7.49831805    -14.33593304
  H     19.09100490      9.35125281    -16.90300559
  O     18.84728984      9.82149936    -17.72054117
  H     16.61604923      6.65968992    -14.64363687
  H     14.09174721      9.25780532    -14.58433816
  O     13.92580584      8.38179762    -14.96906829
  H     19.04124264      8.64231878    -14.60658251
  H     13.02493681      8.14120270    -14.72530405
          69
 Energy    -250.03250975661118     
  O     13.15990303     12.28547478    -12.61764057
  H     13.86546380     11.70679303    -12.94883962
  H     17.24351831     12.71002456    -15.77067272
  O     19.92199394      8.01049795    -13.03460560
  H     12.44536114     11.70048322    -12.33782768
  H     12.90401798      8.43839677    -14.00257208
  O     17.29422458     11.15458047    -12.08692973
  H     19.56552328      8.71648970    -13.59992068
  H     11.81270953      9.37046856    -13.43735731
  O     13.52132738      9.48454601    -10.24538317
  H     20.85746548      7.96115060    -13.21519141
  H     14.84397026      9.66407680    -13.40967893
  O     16.17153971      6.95685721    -11.38991984
  H     17.35755952     12.11976544    -12.15646149
  H     15.26956213     10.65225785    -14.52293347
  O     14.83604610      7.31065868     -8.93117984
  H     16.51404069     10.89846209    -12.60641242
  H     12.44941723      9.96939686    -15.65069244
  O     17.82071902      6.08641715    -13.58823442
  H     13.84218208      8.68542829     -9.81359549
  H     12.02881986     10.36173261    -17.08625187
  O     13.53386763     13.05250063    -15.30086127
  H     14.19275571     10.16150601    -10.09188809
  H     17.43593633      9.01028271     -9.17460055
  O     16.76586270      7.99214161    -15.27646306
  H     15.67381263      6.89155348    -10.56642867
  H     16.37199327     10.03119801     -8.73277702
  O     18.23949190      8.81604278    -10.90281212
  H     16.87196676      7.60395707    -11.22598776
  H     15.16778242     13.73055427    -15.22159625
  O     15.46777478     10.21289392    -16.38404897
  H     14.63506466      6.77839264     -8.16651689
  H     16.08445596     14.91720100    -15.58404069
  O     17.64475060     11.89993355    -16.10460426
  H     15.53157375      7.93882494     -8.66363713
  H     16.13405616     13.97946017    -11.85307981
  O     12.14429539      8.98113405    -14.25502966
  H     17.24452688      6.16589707    -12.81715766
  H     16.63765154     13.96175218    -13.31586537
  O     15.11260515     10.57901287    -13.57356354
  H     18.62141572      6.57912395    -13.37002133
  H     13.96952638     14.56759758    -10.49217947
  O     12.69125523     10.51776893    -16.41852350
  H     13.22659558     12.27047642    -15.77381285
  H     13.95635698     13.35242284    -11.45128518
  O     16.76292489      9.17866857     -8.50158724
  H     13.24197825     12.93193113    -14.38766649
  H     18.24968871     10.44055593    -13.55100281
  O     16.06215908     14.09329918    -15.10251156
  H     17.11284421      7.19016551    -14.85860575
  H     18.42706817     10.68378477    -15.05497196
  O     16.90925813     13.80798327    -12.40108071
  H     17.36528328      8.69970536    -15.00287364
  H     12.16680333      9.90859716    -11.20564441
  O     14.49989041     13.84128328    -10.80923355
  H     18.93688260      8.48538047    -11.48180636
  H     10.63703164     10.13510784    -11.29892958
  O     18.58518277     10.02986815    -14.35715767
  H     17.97154417      9.67319069    -11.26356720
  H     15.18816338     12.28613759     -9.94745587
  O     11.45106024     10.23078359    -11.78524092
  H     14.51505666     10.20098623    -16.53780621
  H     16.20715348     11.30810752    -10.54314921
  O     15.56907164     11.40826087     -9.82529559
  H     15.77199376      9.31038813    -16.21873853
  H     15.01814663      7.51324411    -12.70539331
  O     14.60187885      7.87248205    -13.49980395
  H     16.89894679     11.35496714    -16.39641785
  H     15.27697906      7.83802386    -14.19220610
          69
 Energy    -250.03229581431907     
  O     17.93336782      9.15150736    -10.86808023
  H     17.47743257      8.39400888    -10.47823160
  H     18.25134914     12.67200846    -10.91083513
  O     14.01330544     10.39914524    -10.70131844
  H     17.27755465      9.71831765    -11.29327196
  H     19.52192224      9.79318425     -8.12867744
  O     20.70643695      6.54152632    -12.18161580
  H     14.58032910     10.56448851     -9.92484248
  H     18.94633808      9.90000270     -9.57638878
  O     15.69501227     10.91824059     -8.69266102
  H     13.19306688     10.85758635    -10.54164081
  H     20.07355222      9.78078588    -13.05431611
  O     19.05763351      5.08064841    -13.88488586
  H     21.45016605      6.75625581    -11.60520804
  H     19.03845880      8.97912872    -12.22687324
  O     22.56855142      7.54031928    -10.33075967
  H     20.37532173      7.39190644    -12.50873409
  H     17.80090759      4.35874675    -12.59346964
  O     16.72231550      8.67547697     -7.44764992
  H     16.41398633     11.55238888     -8.77554015
  H     16.53512772      4.52314366    -11.71430828
  O     20.72890838      6.70538863     -8.28398168
  H     16.03960098     10.16220721     -8.19343712
  H     15.40946538     10.79934872    -11.84041589
  O     19.51632420      8.57467734     -6.76314645
  H     19.53784573      4.48329149    -14.45410390
  H     16.03179596     10.25635273    -13.15188480
  O     16.86666155      6.92455909     -9.62760786
  H     19.71906810      5.51067579    -13.31839030
  H     15.20691032      9.12089692    -15.28537164
  O     18.01650563     12.62668839     -9.02091522
  H     23.51638360      7.49542092    -10.23789829
  H     16.35747748      8.42269719    -14.52317088
  O     18.38452162     12.49674357    -11.85001020
  H     22.33748703      8.48478418    -10.39716346
  H     21.57788723     10.63211986    -11.25997297
  O     19.50339055     10.34649811     -8.91949886
  H     16.68157509      7.99305486     -8.13207263
  H     21.08316206     10.26442311     -9.85278287
  O     19.62308038      8.93095357    -13.00029330
  H     17.61603547      8.62513689     -7.09134225
  H     14.60868218      8.24475864    -12.96306891
  O     17.37213044      4.04728090    -11.78681017
  H     21.41895599      6.98301516     -8.89773721
  H     14.08024345      8.71702281    -11.59095540
  O     16.21278189     10.80476433    -12.37783915
  H     20.15261068      6.11430943     -8.78714786
  H     18.49356601      8.11714808    -14.17271314
  O     15.56133646      8.97320385    -14.41284114
  H     19.87170406      8.54248537     -5.87934138
  H     18.12242689      6.65901945    -14.48290883
  O     21.81797395     10.13664003    -10.46880695
  H     19.95273309      7.86296488     -7.26564373
  H     21.13017135     12.12335114    -13.34525561
  O     14.19778180      7.93655014    -12.14583847
  H     17.66812572      6.38985673     -9.71532381
  H     19.90851549     11.89481238    -12.42599132
  O     17.84026100      7.56788233    -14.62983357
  H     16.16547306      6.45238213    -10.09146198
  H     14.66707038      6.37617780    -11.58639432
  O     20.73627063     11.49363162    -12.74796491
  H     18.28476396     13.28534732     -8.38520594
  H     14.21500760      5.07027038    -10.89445495
  O     14.98603849      5.53997253    -11.20273507
  H     18.61355484     11.86664606     -8.90685449
  H     18.54141398      4.75621009    -10.60160088
  O     19.12054151      5.38002118    -10.13934474
  H     17.60391447     12.00336703    -12.13655829
  H     19.65583185      5.80385752    -10.82342762
          69
 Energy    -250.03212522506414     
  O    -10.15996344      1.54714632      3.23011352
  H    -10.40105775      2.46444635      3.03344045
  H    -10.27239005      0.10119897      6.02879390
  O     -5.91750721      1.07074055      5.71851893
  H     -9.90294535      1.12852003      2.39876323
  H    -11.64644761      5.62600114      6.50831010
  O     -7.94131195      4.19035788      6.19281300
  H     -5.09372079      1.54838710      5.56301859
  H    -12.28562131      5.70541171      5.11080079
  O    -12.94526856      2.69221967      5.99534994
  H     -6.57387995      1.48821224      5.13627375
  H    -13.15397044      3.76105712      4.63681971
  O     -7.68611706      2.42028829      4.14809263
  H     -7.84401844      3.57099612      5.45040364
  H    -14.09152171      4.49756625      3.64989768
  O     -7.33999479      0.80698000      8.07629950
  H     -8.49986095      3.73399353      6.83084747
  H     -8.23659294      0.33502227      1.20709398
  O     -9.58209629      2.48955281      7.69977390
  H    -12.33392288      1.94555500      5.93935083
  H     -9.31826351     -0.01302701      0.15699846
  O    -11.62353978      4.32753001      7.95122626
  H    -12.63780731      3.22977487      6.73527814
  H     -6.81150140     -0.62570759      2.83185672
  O     -6.84777585      6.43618646      3.22923244
  H     -8.51789197      2.03375808      3.85045679
  H     -6.05871472      0.49445147      2.07737619
  O     -4.84262724      1.83491785      2.32680856
  H     -7.28988080      2.88215240      3.39686207
  H    -10.07948497      6.17536245      4.87458219
  O    -10.68325550      4.21264209      2.71029184
  H     -6.77858087      0.94724198      7.29562418
  H     -8.79537812      5.35613481      5.12774882
  O    -10.80998410      0.87404248      5.80537253
  H     -6.75472968      0.61736435      8.80546799
  H     -6.67973115      4.80285911      2.31174774
  O    -11.67454415      6.15927819      5.70434971
  H     -8.83697745      1.95406123      7.99720795
  H     -7.43524906      3.79816272      1.38701622
  O    -13.18701269      4.44796655      3.94664015
  H    -10.03185358      1.96637327      7.01754460
  H     -8.26365638     -1.25521661      5.76288060
  O     -9.09058348      0.61961969      0.83242873
  H    -10.87194460      3.71278419      7.97100372
  H     -8.40464946     -0.53840995      7.11356493
  O     -6.78684787     -0.13983367      2.00137994
  H    -11.85193669      4.50731689      8.86025543
  H     -6.03125161     -2.05402935      4.71501359
  O     -9.24006118      5.91177599      4.47087151
  H     -6.78429373      7.31660277      2.86783057
  H     -6.28777984     -0.56160594      5.02234861
  O     -6.68569005      3.89311103      1.99451101
  H     -7.73402974      6.35929548      3.62193958
  H     -2.95005380      2.99181793      5.07492195
  O     -8.90514626     -1.01870155      6.44345257
  H     -5.37118126      2.60289660      2.06454350
  H     -4.37464887      3.58943176      5.03645143
  O     -6.68001048     -1.35844416      4.62917078
  H     -4.41623769      2.09212664      3.15053162
  H     -9.65396863      3.79122823      1.15619621
  O     -3.86470087      2.76658149      4.92844518
  H    -11.59290288      4.32387573      3.01617045
  H     -9.04536952      2.51575935      0.52513814
  O     -8.96834396      3.47801873      0.55157225
  H    -10.13463710      4.78722404      3.26047839
  H     -6.19891841      4.76904253      5.79394897
  O     -5.41234808      4.98251532      5.27366410
  H    -10.63975377      1.06460092      4.87130955
  H     -5.72853794      5.56057741      4.57005037
          69
 Energy    -250.03189331435976     
  O     17.71768036      9.47537981    -12.83492723
  H     18.19129402      8.77345763    -13.29406299
  H     13.92877893      3.33938549    -12.37336534
  O     15.33016682      4.73137383    -16.56084644
  H     17.67077732      9.23030939    -11.89570321
  H     13.76979969      4.85254292    -13.84771510
  O     12.73787629      8.45696162    -13.14854778
  H     15.61376063      4.13784133    -17.25141599
  H     14.84304567      4.29560429    -14.81617621
  O     12.18755345      5.88274843     -9.48275850
  H     15.96971667      5.46492488    -16.54299138
  H     13.05149605      8.32251183    -11.38949200
  O     12.81172235      6.10663384    -16.55292352
  H     12.39812547      9.14290360    -13.73841165
  H     13.83623467      9.04865198    -10.27211296
  O     14.78732893     11.62834465    -15.26844095
  H     13.68959142      8.39443799    -13.32632987
  H     15.70440367      7.28886257    -13.51442439
  O     17.05137260      6.83627416    -16.47570030
  H     12.48912762      6.75850537     -9.76075308
  H     16.06919219      8.77516967    -13.36465636
  O     14.88572562     10.58216235    -10.13451363
  H     11.67871475      5.51547225    -10.21577848
  H     19.51365057      6.64629951    -13.95824694
  O     14.35658824      4.28998283     -9.18883767
  H     12.49085168      5.96258858    -15.65235068
  H     18.01068605      6.53984180    -13.60925952
  O     15.37214537      9.12087645    -16.31683083
  H     13.63631515      5.61296153    -16.63086521
  H     12.97097704     10.91006253    -15.09824271
  O     11.05802337      4.44193191    -11.69849641
  H     15.09522427     10.81542435    -15.70093323
  H     12.27953798      9.79233321    -15.89374538
  O     13.40393451      3.07226239    -11.60769210
  H     15.05005074     12.35301675    -15.83139159
  H     11.70723698      5.40391256    -13.14839292
  O     14.56604472      4.30141440    -13.89127748
  H     17.67609528      6.95833261    -15.75116072
  H     12.33579115      6.76576065    -13.57088446
  O     13.40725036      8.21312260    -10.49567477
  H     16.59129042      7.67857735    -16.58242749
  H     12.41017655      8.73106862    -18.22300912
  O     15.39462893      8.17940986    -13.71670839
  H     14.75153898     11.34196029     -9.57399287
  H     12.75059802      7.73320237    -17.09152805
  O     18.66817094      7.06583696    -14.09821431
  H     15.11706117     10.92480276    -11.01641073
  H     15.35270096     11.55208525    -13.45293871
  O     12.20336013     10.32585159    -15.09199602
  H     14.40822371      3.88418641     -8.32775123
  H     16.55750300     10.92285937    -12.72070876
  O     12.24197153      5.83619663    -13.82476173
  H     13.54819902      4.83607287     -9.19699747
  H     15.95735356      5.17319444    -13.18205102
  O     12.80359218      8.66939046    -17.35694711
  H     15.32601090      8.72606728    -15.43114660
  H     16.33513874      6.01654617    -11.92774738
  O     15.73463804     11.41198318    -12.57945091
  H     14.52429849      8.95127221    -16.75004536
  H     16.47261208      9.46791357    -10.03978023
  O     16.60366662      5.80183787    -12.83292791
  H     10.29305654      3.87394941    -11.66037982
  H     16.77802731      7.96584338    -10.15244073
  O     17.18257051      8.84017731    -10.22418518
  H     11.84227370      3.86423835    -11.65880684
  H     14.85287306      7.07126789    -10.45233171
  O     15.62395819      6.49195929    -10.36549059
  H     13.86577729      3.38920817    -10.82149092
  H     15.32661772      5.70473326     -9.89371684
          69
 Energy    -250.03100237684598     
  O     16.33441413     10.09443601    -10.52818085
  H     16.61353152     11.01614565    -10.59329274
  H     14.21898686      6.39764194    -12.20736616
  O     17.37105820     11.57107662    -13.71768057
  H     16.57590680      9.67437468    -11.36619408
  H     13.10601904      5.87726402     -9.25605116
  O     11.81958666     11.65047141    -11.85929318
  H     17.36569901     12.03643271    -12.87274222
  H     13.45074967      6.03302908     -7.76051784
  O      9.95499172      9.81868754    -10.65775092
  H     17.45778216     10.63298313    -13.50207543
  H     14.47304163     12.46889359    -12.98281254
  O     14.74013488     11.44026368    -14.52603619
  H     11.10865607     11.11087910    -11.49217306
  H     13.41586106     12.77473386    -11.91581401
  O     16.83132151     12.78148320    -11.13333744
  H     11.76890554     11.57481568    -12.82071537
  H     11.70531438     12.29828277    -15.24829298
  O     17.01933935      8.82698953    -12.93947797
  H      9.13347377     10.07138587    -10.24485244
  H     12.98336570     11.59493216    -14.74212648
  O     12.78024131      5.17200947    -14.39561414
  H     10.51078850      9.42503829     -9.95941402
  H     18.02090837      5.84817654    -11.30982651
  O     13.30229635      7.94544269    -12.06719818
  H     14.66154312     10.47452374    -14.50277747
  H     16.83170768      6.68728692    -10.77884754
  O     10.64229801      5.06563635    -12.47461052
  H     15.68363316     11.62054771    -14.40739422
  H     13.48477283      4.83234048    -11.12902689
  O     11.69783458      8.80198562     -8.87010856
  H     15.91661973     12.93504016    -11.43218364
  H     11.95077034      4.76853305    -11.09620539
  O     14.66387859      5.55134430    -12.37707168
  H     17.13480138     13.59628319    -10.74297519
  H     12.90809214      6.45062738    -15.54610084
  O     13.37021866      6.52168435     -8.57655495
  H     16.24614369      8.71329890    -13.51006367
  H     13.10205200      6.90132046    -17.01412820
  O     14.32632989     12.96489887    -12.16515512
  H     17.22640697      7.95604449    -12.57887440
  H     11.35659020      9.80521977    -14.93223656
  O     12.01227423     11.57389901    -14.70763031
  H     12.00582981      5.03316760    -13.83857818
  H     11.66008533      8.37115915    -15.43238355
  O     17.25730408      6.34642209    -11.58788586
  H     13.53610459      5.18312123    -13.79139925
  H     10.61194613      8.18809406    -13.39730377
  O     12.73067970      4.73895208    -10.53019633
  H     12.35132603      7.84478582    -12.19698933
  H     10.22461781      8.46855387    -11.90361808
  O     13.01073185      7.22920367    -16.12392230
  H     13.43039262      8.62205564    -11.39082117
  H     16.03950518      8.39958961     -9.61253541
  O     11.02216130      8.90056300    -14.93757624
  H      9.77522063      4.67532378    -12.54875059
  H     15.08356137      7.24585265     -9.17553302
  O     10.52883225      7.78886492    -12.51598391
  H     10.51560184      6.03006243    -12.46622808
  H     14.11238571      8.48065001    -13.55057959
  O     15.97582930      7.44549572     -9.48084773
  H     12.40764482      9.35794234     -9.22775927
  H     14.19312521      8.21046093    -15.07113122
  O     14.60814688      8.70215586    -14.35341004
  H     12.12477702      7.95472750     -8.70013817
  H     14.55280774     10.23286464    -10.40422108
  O     13.59922794     10.09700084    -10.33754030
  H     15.59914883      5.69393310    -12.19860193
  H     13.14949744     10.73806064    -10.90206189
          69
 Energy    -250.03081419853919     
  O     22.01894937     12.93866013    -16.07801465
  H     22.83339494     12.79970761    -16.55501253
  H     14.97843846     10.29050841    -13.91237022
  O     15.85657366     17.71805462    -15.65822933
  H     21.51529107     13.60718575    -16.57349527
  H     20.96584110     16.43941479    -14.30691321
  O     21.51014204     14.74645143    -13.81440784
  H     16.44216780     17.55681389    -16.41941090
  H     19.70785667     17.33642628    -14.20554834
  O     14.84701149     13.15878586    -14.81083790
  H     15.41505694     18.54641110    -15.82868394
  H     16.03213535     13.11268755    -13.39938947
  O     17.95184920     11.54511291    -17.35284805
  H     20.78593554     14.22986867    -13.43582999
  H     16.53011149     13.95181378    -12.20250205
  O     16.24433234     10.29079635    -12.70947694
  H     21.88358913     14.17519941    -14.49345168
  H     19.06650617      9.87986677    -14.53987021
  O     16.56444154      9.43773691    -16.27455618
  H     15.30986916     13.34899796    -15.64044399
  H     19.05584726      8.48549311    -13.87839690
  O     20.39068894     14.78633138    -17.27629603
  H     14.56244020     12.23769463    -14.84187215
  H     16.59205139     15.10146914    -20.27133924
  O     14.51759339     15.82386974    -13.95344155
  H     17.36453082     12.30085552    -17.21684215
  H     17.75030606     14.46955796    -19.46275243
  O     19.27985131     13.08237481    -13.34009286
  H     17.44292612     10.75446145    -17.12135119
  H     17.43686559     16.66713254    -13.05298704
  O     20.41214982     17.56849067    -17.28369579
  H     16.42130324     11.21603745    -12.49327962
  H     17.18103474     17.42596793    -14.38054001
  O     14.37104314     10.38047048    -14.66954133
  H     17.05984574      9.92939530    -13.07866027
  H     18.53474320     17.41163354    -17.60546827
  O     20.57836864     17.27070020    -14.61749306
  H     17.16531859      9.19808247    -15.55848462
  H     17.43873967     16.59539467    -18.34333204
  O     16.61080529     13.08749218    -12.62312367
  H     15.74762179      9.72044747    -15.84538775
  H     15.54000440     15.83604032    -12.55313561
  O     18.49299378      9.21620784    -14.12321870
  H     20.55824914     15.72266355    -17.43648361
  H     15.86101696     16.15783746    -11.07027215
  O     17.01166284     15.10256664    -19.41535903
  H     19.69370037     14.76429531    -16.60253850
  H     20.67786857     11.71073191    -15.61105976
  O     17.87676893     17.06677557    -13.81346627
  H     14.48278502     14.92380327    -14.30482665
  H     19.23452329     11.38721178    -16.10443582
  O     17.58162775     17.29158956    -17.69068990
  H     14.87937747     16.38843339    -14.64735281
  H     18.24171326     15.61489679    -14.90956674
  O     16.23287324     15.79017899    -11.86758244
  H     19.44751917     12.34611335    -13.94377106
  H     18.70692969     14.16234047    -14.67802044
  O     19.86054230     11.25524190    -15.37564384
  H     18.37639080     12.99713097    -13.00604160
  H     19.62229717     13.81617559    -18.65422376
  O     18.38600602     14.77152937    -15.35548043
  H     20.95490815     18.29614583    -17.57318437
  H     18.74622057     12.55261670    -18.75148999
  O     19.04939758     13.31975518    -19.25531218
  H     20.50489455     17.51581797    -16.31337318
  H     16.42859380     14.29359574    -17.81011137
  O     16.39209133     13.84112208    -16.96046296
  H     13.58393690      9.88807225    -14.45201514
  H     17.07536411     14.23975852    -16.39675333
          69
 Energy    -250.02998672102257     
  O     16.72073646      9.72688865    -16.76706542
  H     16.71602832      9.17341453    -15.96931154
  H     20.04079923      8.89223038    -15.61791999
  O     14.99743306      5.35956927    -13.21455326
  H     15.89817874     10.22819567    -16.75057037
  H     17.51443463      7.94939060    -14.01404203
  O     18.19101206     13.85182791    -12.03146698
  H     15.65613956      5.63060709    -12.55788431
  H     16.48017386      7.19396231    -14.88570981
  O     19.02085862      7.59839255    -13.05633537
  H     15.48107999      5.20174556    -14.03426212
  H     13.55558409     11.31314675    -16.91912995
  O     14.67030043      6.36439410    -17.78059211
  H     18.21133780     13.10590688    -12.65510367
  H     13.84091543      9.95116823    -16.24219095
  O     15.96291693     11.46169171     -9.28752179
  H     18.64791562     14.57488737    -12.45290838
  H     15.63575387      8.94678900    -11.24556860
  O     14.75756341      8.95892787    -12.82147095
  H     19.64401634      7.69726131    -13.78428560
  H     16.08334192      9.72034284     -9.97393913
  O     18.01553084     11.56347118    -13.55525110
  H     19.09099914      8.38690284    -12.49624157
  H     13.76446066      7.62045833    -16.68345340
  O     12.91045878      7.00853335    -13.58904853
  H     14.26251151      5.90110769    -18.50736323
  H     13.15859055      7.83248237    -15.27500635
  O     16.35430461      5.52100329    -15.68234333
  H     15.46344123      6.80621757    -18.13450900
  H     18.65284403     12.77222805    -10.47990214
  O     16.96478816      6.32105110    -11.49336205
  H     15.45847365     11.77186959     -8.54001689
  H     17.86208287     11.87194279     -9.51566592
  O     20.44590244      8.01430143    -15.49000223
  H     15.72352417     12.02913305    -10.04194537
  H     17.85125172      9.44521457    -11.13883727
  O     16.71802504      8.06727563    -14.54854519
  H     13.99346093      8.38718972    -12.95625992
  H     18.91022773     10.54140227    -10.88538091
  O     14.17360191     10.86127729    -16.35118037
  H     15.44781388      8.62358364    -13.41557703
  H     15.27954993     12.59197859    -12.27816861
  O     16.24597514      8.92280576    -10.49334074
  H     17.06188927     11.51765968    -13.71068778
  H     16.34741524     13.48609801    -11.61958756
  O     13.37630190      8.28329604    -16.09987718
  H     18.22872393     10.92552043    -12.85867569
  H     19.43740432      6.76272374    -16.37346603
  O     18.74908962     12.03913950     -9.85935325
  H     12.11602814      6.63043648    -13.22327530
  H     19.51119102      5.44297990    -17.16566735
  O     18.67394395      9.82099843    -11.48599549
  H     13.62603676      6.36260557    -13.43726632
  H     14.97963339     10.63856458    -13.37207874
  O     15.50625413     13.04229235    -11.45374233
  H     17.24124192      5.60367457    -16.05402090
  H     14.84036302     11.43774361    -14.67933982
  O     18.90399668      6.11077516    -16.85357608
  H     15.72941638      5.68816983    -16.40076401
  H     18.94353293     10.88228250    -15.01654669
  O     15.21410312     11.48016810    -13.79189442
  H     17.76054457      6.57747608    -11.97514009
  H     18.42944838     10.26167212    -16.31659816
  O     19.23477083     10.39413834    -15.79777471
  H     16.72163869      7.09156568    -10.96574987
  H     17.72012785      7.08090160    -18.05736535
  O     16.99528624      7.55950061    -18.47559708
  H     21.38967368      8.13898915    -15.54686707
  H     16.92563760      8.40023569    -17.99903682
          69
 Energy    -250.02898974910289     
  O     16.30739229     11.53837079    -10.55377611
  H     16.77588072     10.68877123    -10.46231483
  H     14.12442594      7.73523066    -13.88693907
  O     12.63196690      6.10117245    -11.29346695
  H     16.61785143     12.09271222     -9.84150541
  H     14.47054250      6.00118161    -15.04110731
  O     17.11835558     10.24469683    -15.01806852
  H     13.11398852      5.45033588    -11.81798378
  H     15.43460269      5.27682473    -16.02381185
  O     17.74059149      8.43300894    -13.02222248
  H     12.09315974      6.61328038    -11.90756081
  H     16.72123429      5.67100876    -14.42531286
  O     16.27867779     12.29159809    -13.24086485
  H     16.92529446     10.99839721    -14.44731511
  H     18.19107694      5.90352899    -14.84505509
  O     14.22874265      7.85642718     -9.92710338
  H     16.27208689      9.96322576    -15.39337800
  H     14.78432586      8.23855252    -11.63517131
  O     14.62273265      9.52930927    -16.15651674
  H     17.64549523      9.05224018    -13.75824322
  H     15.93609932      8.48441542    -12.65672184
  O     13.80852645     11.62688537    -14.59389319
  H     17.76154028      7.53956874    -13.39035169
  H     13.77198239      9.65692637     -9.76497523
  O     16.34467969      5.71773704    -17.50031265
  H     16.60877451     13.18771065    -13.24648464
  H     14.48784743     10.97546166    -10.09692709
  O     11.24887284      7.90989371    -13.10546872
  H     16.26103520     12.01129314    -12.31233006
  H     13.99889575      3.26565726    -12.79420185
  O     16.66178058      5.11756372    -11.51773319
  H     15.01590282      7.41586045     -9.58546287
  H     14.50590946      4.46306398    -13.62597787
  O     13.56005714      7.46413625    -14.63100969
  H     13.62853817      7.17977259    -10.27733366
  H     12.83222655     10.43916178    -11.54970965
  O     15.05753720      5.23589727    -15.13310038
  H     14.20841720      8.77919330    -15.70881352
  H     13.57058450      9.64160379    -12.62234923
  O     17.60147964      5.87599723    -14.08092017
  H     14.26600208     10.33007555    -15.74371181
  H     17.05617559      6.19065289     -8.58742625
  O     14.97861151      8.47034550    -12.55355615
  H     14.59469734     11.96161082    -14.14653542
  H     16.73434539      6.10747695    -10.09792069
  O     13.61811819     10.60180530     -9.91437882
  H     13.26760858     11.23588628    -13.89443312
  H     19.86436754      5.96927967    -16.82812874
  O     14.23465116      4.18870068    -12.73416932
  H     16.12415507      6.58571667    -17.86013036
  H     18.86910041      7.14461180    -16.67631419
  O     12.74840591     10.13028618    -12.46307255
  H     17.27947515      5.76265099    -17.26459334
  H     17.37203546      8.38386549     -9.91745804
  O     16.71525006      6.69506508     -9.32095279
  H     10.31111461      8.07070757    -13.16866715
  H     17.83727368      8.92782381    -11.28221707
  O     19.00461495      6.19879343    -16.48642625
  H     11.66005866      8.75101321    -12.84112545
  H     15.36405754      8.86438517    -17.62360965
  O     17.62798173      9.19292237    -10.37456211
  H     15.81877693      4.75246296    -11.81159437
  H     15.48954351      8.75489335    -19.15949056
  O     15.85789915      8.43206522    -18.34093424
  H     17.15307191      5.31539433    -12.32470106
  H     18.13288879      9.38459038    -16.36320787
  O     18.38621739      8.77481760    -17.06775691
  H     12.65440132      7.51366579    -14.30497612
  H     17.60826096      8.70387903    -17.63603872
          69
 Energy    -250.02812121422153     
  O      0.75204124      0.08600548      3.05989650
  H      1.31325367     -0.03855832      2.28136409
  H     -3.02211382      1.02374754      4.55151398
  O     -2.39178306      0.26636440     -3.56615878
  H     -0.16278977      0.11482643      2.74026178
  H      0.33472279      3.35882221      2.57059470
  O     -0.07688299     -1.69269322      5.01196553
  H     -2.30361050      0.68354608     -4.41936875
  H     -0.98005059      3.67493567      1.83047211
  O     -4.26424490     -0.03275053     -1.45714915
  H     -1.65663185      0.59009316     -3.01878383
  H     -3.22579455      1.08748249     -0.46091238
  O     -1.73608690     -2.43200956     -2.72099800
  H      0.32719383     -1.10729010      4.35257068
  H     -1.74022022      1.47179166     -0.60936544
  O      0.17720764     -1.62147224     -0.88502118
  H     -0.34896074     -1.12749849      5.73210775
  H     -2.48079867      0.09646526      2.81141400
  O     -2.87539287      3.28955219      2.09546755
  H     -3.79258151      0.10966501     -2.28631172
  H     -2.06732175      0.55140493      1.37757011
  O     -4.10975586     -2.34765201      3.69893382
  H     -4.01537593     -0.91769654     -1.14861109
  H     -2.79304468     -2.61983621      0.07922746
  O      0.91861935      2.56096411      4.18208115
  H     -2.43812733     -2.63331721     -2.08876844
  H     -4.33148099     -2.66869092      0.08999144
  O     -0.41517285      0.95201568     -1.75815522
  H     -2.00983578     -1.62179449     -3.16649390
  H      1.56249474     -0.68687059      0.06614851
  O     -5.39297836      2.07408028      2.74141534
  H     -0.32168177     -1.99480707     -1.62632107
  H      1.91732957      0.80137646      0.28610991
  O     -3.65578914      0.38097816      4.19645452
  H     -0.23497462     -1.99569909     -0.09397078
  H     -2.19111261      2.78281766      3.80357461
  O     -0.02650491      3.60392772      1.70927886
  H     -2.74017572      2.78627675      1.27790646
  H     -0.93696567      2.50849865      4.64877835
  O     -2.51008697      1.57895852     -0.03696317
  H     -3.77703950      3.06965052      2.36045417
  H      2.01815985      3.20314818     -0.63223180
  O     -1.82719898     -0.02660738      2.11226610
  H     -3.27125417     -2.81407449      3.79093362
  H      0.86385447      2.94523042      0.36258618
  O     -3.57082131     -2.55392394     -0.49339428
  H     -3.96515315     -1.44192333      4.00465642
  H     -1.00083730     -2.99485837      4.27554412
  O      2.03423059     -0.08290495      0.65418584
  H      0.94947815      1.66027070      3.81469852
  H     -1.33783017     -4.50178815      4.20664801
  O     -1.89505595      2.40918982      4.64562572
  H      1.72634256      2.69040609      4.67150064
  H     -1.36967032     -3.10757770      2.01623063
  O      1.37837044      2.54920220     -0.36296070
  H      0.24861902      1.56022374     -1.40908908
  H     -1.57390298     -1.65606603      1.54233213
  O     -1.55079642     -3.65607618      3.82078941
  H     -0.19071336      0.06583434     -1.43531078
  H     -6.33261848     -3.14233692      1.63457034
  O     -1.37968437     -2.55416819      1.22837043
  H     -6.22127819      2.46591473      3.00565335
  H     -5.08180724     -2.50031036      2.28064418
  O     -5.61163631     -2.54213892      1.46395535
  H     -5.59730646      1.44555646      2.02564731
  H     -5.87551158     -0.70550006      1.09172842
  O     -5.88032215      0.22378219      0.83034287
  H     -4.35200900      0.90359389      3.77696936
  H     -5.48515151      0.24529905     -0.05010525
          69
 Energy    -250.02801470482751     
  O     11.15786127      9.59750973    -15.12869490
  H     11.62191196     10.36855145    -15.47190943
  H     15.61573440      5.80602777    -13.68288187
  O     15.64608749      7.08596614    -12.39851349
  H     11.66143838      8.83141893    -15.44098801
  H     18.49289275      5.83439139    -13.43623952
  O     17.77798407     10.75666484    -12.91613289
  H     16.45919405      7.51893607    -12.10792348
  H     18.89646165      7.10855251    -14.18220037
  O     16.95941146      9.97637693    -15.51543884
  H     14.97859359      7.24702024    -11.71926601
  H     14.23181074     10.80197735    -17.00429872
  O     12.62859972      5.15273384    -14.36677927
  H     17.56323378     10.62080859    -13.84770705
  H     15.70350462     10.33525424    -16.87676525
  O     14.91335189     11.28552739     -9.89081006
  H     17.23437821     11.49173683    -12.61047848
  H     14.08597155      8.44740332    -14.80588464
  O     13.84126532      7.85257400    -10.43935187
  H     16.20482839      9.52943526    -15.10018455
  H     15.06155982      8.25290018    -13.61000042
  O     13.99975523     11.40351849    -13.49195573
  H     17.62050114      9.29416990    -15.69023623
  H     10.68760594      9.26441723    -13.49985971
  O     16.59743190      6.37396205    -16.68416384
  H     12.05156946      4.39545015    -14.41689354
  H      9.53484670      9.11573079    -12.47798978
  O     16.25578097      8.82955562     -9.28404910
  H     12.39230581      5.63007474    -13.55088591
  H     12.55976148      6.86059246    -11.47049938
  O     18.71457564      7.79873401    -15.90694602
  H     14.04719242     10.98458934    -10.19482566
  H     11.39020529      7.37791569    -12.32646466
  O     15.49241072      5.21123075    -14.43621566
  H     15.39644485     10.49621867     -9.61690351
  H     17.89257141      9.30985509    -11.93985217
  O     18.90438496      6.68853331    -13.30999107
  H     14.59550616      8.09720964     -9.88900180
  H     18.40611468      7.84076645    -11.98408169
  O     14.92304201     10.29532972    -17.44621990
  H     13.44167211      8.68365532    -10.73691527
  H     15.62639473     12.24836306    -11.15028968
  O     14.74357956      8.89372443    -14.25877052
  H     14.32878454     10.51816021    -13.71987394
  H     16.12258423     13.60531323    -11.70792250
  O     10.47917697      9.02998037    -12.57725047
  H     14.70952621     11.89477805    -13.06078615
  H     14.32805022      7.61021423    -19.02354585
  O     11.95398159      6.60859309    -12.17745813
  H     15.88309847      6.77366007    -17.19137356
  H     14.64334372      8.64664443    -17.91771246
  O     17.88929754      8.46673194    -11.45807305
  H     16.19339691      5.91334689    -15.93319801
  H     13.07046459     10.69032085    -12.07194908
  O     15.95116625     12.69964894    -11.95057669
  H     16.71435492      8.62379396     -8.47320627
  H     11.83165915      9.89085717    -11.62796436
  O     14.47527953      7.70147331    -18.08609977
  H     16.89471088      8.69728107    -10.00540486
  H     13.27292015     11.72446305    -15.07031569
  O     12.67186524     10.24521069    -11.31090504
  H     19.41500183      7.73697871    -16.55080885
  H     12.65727140     12.63944525    -16.15437156
  O     12.89261961     11.73420147    -15.96565479
  H     17.97544735      7.25165449    -16.23513547
  H     12.77591647      6.65230674    -15.43735556
  O     12.85362616      7.53163790    -15.82828100
  H     14.54572837      5.02937053    -14.45139220
  H     13.34164835      7.46301112    -16.65883653
          69
 Energy    -250.02735620212431     
  O     16.13073296     11.09838328    -16.38109821
  H     16.82927557     10.59667940    -16.82318198
  H     14.95207706      4.19376941    -16.85249244
  O     13.68722391      5.14901679    -16.19757846
  H     16.54766536     11.47919895    -15.59907970
  H     19.07441982      5.70028129    -15.80833674
  O     18.24031895      7.43004356    -11.96670712
  H     13.60579222      5.93367514    -16.75292093
  H     19.65298173      6.54687149    -16.95033863
  O     18.90900370      7.07101856    -18.67540385
  H     13.75797586      5.45086868    -15.28181588
  H     17.66154637      8.69404811    -16.51301848
  O     16.33354863      6.18964590    -18.65569670
  H     19.04640479      7.46264464    -12.49527805
  H     18.50507977      8.67311352    -17.79423871
  O     13.87233502      8.42447362    -10.36847102
  H     17.69361171      8.17259034    -12.27124785
  H     16.78609251      8.23390599    -14.53904535
  O     14.13398459      6.00514533    -13.55860107
  H     19.27881379      6.90128453    -19.53743718
  H     15.74144847      8.08417196    -15.64968645
  O     16.65473522      9.33770474    -13.04284662
  H     17.98982847      6.74875315    -18.69816981
  H     14.80657699      9.95216799    -16.09210752
  O     17.39239842      5.08946679    -15.38948389
  H     16.18250451      5.30882577    -18.29083857
  H     13.96469261      9.19895486    -15.00183153
  O     13.10763021      5.70092551    -11.02374431
  H     15.52295182      6.68296944    -18.48479541
  H     15.92484804      3.68093478    -10.00554159
  O     19.60660211     10.20081073    -14.91545857
  H     14.76485855      8.08713003    -10.17412420
  H     16.04014251      4.64357528    -11.21027503
  O     15.74964322      3.78735599    -17.24113065
  H     13.60184411      8.93357051     -9.60886528
  H     13.15317150      7.70261058    -18.55638719
  O     19.82891987      6.25643439    -16.04861537
  H     13.62026137      5.81424363    -12.75944558
  H     13.88660548      8.11965933    -17.26281848
  O     18.15853920      9.26557060    -17.11793619
  H     15.04733591      5.77004038    -13.35201002
  H     21.32029095      7.53072093    -13.59291553
  O     16.59822129      7.75155376    -15.35526920
  H     15.69183924      9.25702075    -13.04287541
  H     20.22250147      7.16872032    -14.61552846
  O     14.22245753      9.19369771    -15.93141107
  H     16.89449172     10.23572559    -13.30216223
  H     17.28730992      5.96173296    -12.45232647
  O     15.63293265      4.52712282    -10.33407193
  H     16.89129591      4.55704734    -16.01826058
  H     17.03585273      4.98695659    -13.63272983
  O     13.82024704      7.42037111    -17.93534194
  H     17.07070859      6.00324200    -15.45903759
  H     16.11008895      6.31832923     -9.85602026
  O     20.40024896      7.67386409    -13.80209350
  H     13.21706694      6.60877508    -10.71499946
  H     17.07609967      7.37319216    -10.42515341
  O     16.74932411      5.20875379    -12.73655527
  H     13.86407531      5.21254923    -10.67315390
  H     13.78077600      8.78335065    -12.20863192
  O     16.29656848      7.26594597     -9.86682504
  H     19.24649298      9.91650357    -15.76760430
  H     13.98977216      7.80443879    -13.37885842
  O     13.94069575      8.74835129    -13.16038104
  H     19.92148362      9.40117435    -14.47913132
  H     18.39912199     11.27768069    -14.30637784
  O     17.60917931     11.76975506    -14.01307874
  H     15.52020695      2.89337737    -17.47670152
  H     17.91426321     12.60128341    -13.66179951
          69
 Energy    -250.02732656965375     
  O     12.17541608      2.71692802    -10.58826723
  H     11.72430912      2.12783749     -9.98767750
  H     17.79192750      5.60445882    -14.18774687
  O     17.86965789      4.59648158    -10.67777217
  H     12.78818498      3.24497462    -10.04919595
  H     11.82018245      8.24534842    -14.05142135
  O     14.59283206      8.34223063    -11.82327307
  H     17.79153115      4.73872869    -11.63021714
  H     10.83254290      7.07535085    -14.21374741
  O     15.69525572      9.46831249    -16.07291314
  H     17.36246113      3.80246515    -10.47174889
  H     14.10754164      5.19237191    -10.83249220
  O     17.59688649      6.97779959     -9.44300765
  H     14.46052289      7.38008566    -11.78606010
  H     14.24126972      5.14081992    -12.38140562
  O     14.14247092      4.14792971     -9.29234041
  H     14.11649527      8.69040199    -11.06186681
  H     13.64169688      2.14541681    -11.73788317
  O     16.22538668      2.39177486    -10.04110876
  H     15.83042117     10.27479728    -16.56284049
  H     14.65681183      2.67571448    -12.78222482
  O     13.64392342      8.49743471    -14.42862148
  H     16.50871256      9.30882001    -15.56128363
  H     12.34763642      8.01781385    -10.02799721
  O     15.81149059      6.72042573    -16.91400733
  H     18.30415262      7.10641927     -8.81602753
  H     12.45746154      9.18624116     -9.02299114
  O     17.92854388      8.79308965    -14.68951840
  H     17.71952438      6.08856188     -9.82430038
  H     17.53902942      7.75473962    -11.16140101
  O     18.25720701      6.18880605    -15.87066213
  H     14.92400016      3.58981301     -9.39368785
  H     16.35995966      8.23820479    -12.02035963
  O     17.39889296      5.46595001    -13.31675167
  H     14.40706475      4.97359639     -8.85805865
  H     14.30425715      7.33490553     -8.77145082
  O     10.97824974      7.89640553    -13.72868861
  H     16.54032952      1.56276433     -9.69131619
  H     15.78225919      6.85709329     -8.80730753
  O     13.95755373      5.69318782    -11.64302163
  H     15.67257162      2.18034212    -10.81532959
  H     11.24520105      7.38230437    -12.02639990
  O     14.52282111      1.99999408    -12.10196725
  H     14.28750632      8.93432003    -14.99977341
  H     12.30820187      6.43705897    -11.40392861
  O     12.97638122      8.55878916     -9.51939681
  H     13.98604429      8.54086778    -13.52486374
  H     15.84557277      4.59370963    -13.63756840
  O     17.29502684      7.98927079    -12.06476797
  H     15.01453991      6.31765854    -16.54582319
  H     14.49860330      4.70952490    -14.41975360
  O     14.89976426      6.63177054     -8.48776571
  H     15.71192672      7.67168561    -16.78273251
  H     10.71991693      5.27242888    -11.78054501
  O     11.50717122      6.94501942    -11.20091886
  H     18.20810087      7.95770474    -15.08394262
  H     11.15558011      3.79818476    -11.75017995
  O     14.96658081      4.20193783    -13.74275476
  H     17.82387080      8.62365716    -13.74372736
  H     10.80795092      4.87009793    -13.96338771
  O     10.65958425      4.44221313    -12.26945309
  H     18.84692646      5.84536187    -16.53590122
  H     10.17633985      4.84815763    -15.37330275
  O     10.88899093      5.22713513    -14.86546950
  H     17.38911694      6.30910088    -16.29690845
  H     12.64284790      5.59027851    -15.34353933
  O     13.55871824      5.88491910    -15.42494155
  H     17.32694191      6.33931223    -12.90642533
  H     13.59188148      6.77838616    -15.05245305
          69
 Energy    -250.02653880761454     
  O     15.48059982      9.56254655    -15.59365342
  H     14.94299005      8.89787366    -16.01638652
  H     14.78952952     10.92657293    -14.42653678
  O     17.40070515     16.07238885    -15.43395961
  H     15.75534497     10.18551986    -16.28971375
  H     17.18319525     11.60124454    -17.63560192
  O     21.29374105     10.49470943    -16.62856968
  H     17.14263353     16.88337543    -15.86408790
  H     16.06577594     12.30155591    -16.85193762
  O     19.46784965     11.68983275    -10.60720183
  H     18.11891892     15.68603717    -15.96864295
  H     21.55145279     15.78012324    -11.38383868
  O     15.36613851     12.00432872    -11.35104388
  H     21.35530657     11.17702166    -15.93633795
  H     20.01956836     15.88328899    -11.52509424
  O     21.50127758     10.82533709    -12.32289954
  H     22.17178591     10.38982666    -16.98743676
  H     17.57743795      9.49825209    -13.04147355
  O     17.33578587      9.92143567    -11.33402935
  H     18.88640353     12.29231214    -11.09259615
  H     16.97825526      9.33264503    -14.48815839
  O     19.04475216     12.07404481    -17.31300263
  H     19.97520394     12.24971070    -10.00643611
  H     19.41414493     13.97526777    -17.05281745
  O     21.14794769     15.03868535    -14.41199896
  H     15.01664785     11.87946946    -12.25236648
  H     20.19280719     14.91964834    -16.09159848
  O     21.01368965     13.60922632     -9.24846918
  H     14.61918150     12.17457839    -10.78429847
  H     23.14158507     14.44242279    -12.04057675
  O     21.14828182     12.31328051    -14.59262442
  H     21.24045287     10.07027228    -12.87113869
  H     23.97518241     15.70498022    -12.36889784
  O     14.61104896     11.72459035    -13.91573705
  H     20.77250523     11.01697189    -11.71610575
  H     18.26602088     15.93368137    -13.73696464
  O     16.26800297     11.49706345    -17.34872806
  H     16.60023978     10.53827744    -11.23305691
  H     18.38653653     14.88285549    -12.60571645
  O     20.72836199     15.77345013    -10.87940542
  H     18.09907790     10.35520156    -10.93219449
  H     22.43805597     13.09303326    -10.43359122
  O     17.79396528      9.44468599    -13.98612364
  H     18.71231995     12.04028557    -16.40544011
  H     22.66173239     12.11188724    -11.59655284
  O     19.46157565     14.87953846    -16.72112585
  H     19.79873900     11.47133219    -17.32164110
  H     20.78723414      9.29540625    -15.07964851
  O     23.10291444     15.32826207    -12.44501496
  H     20.35402648     15.26955332    -13.90782312
  H     19.59974418      9.00515324    -14.14223898
  O     18.81400259     15.66247641    -12.99079816
  H     21.90312930     15.22996838    -13.84104478
  H     18.19364929     11.12214138    -14.34270132
  O     23.00187417     12.92390184    -11.19892493
  H     21.10321107     13.89011485     -8.34175716
  H     19.36032275     12.16197794    -14.50852530
  O     20.56589157      9.00862854    -14.18743722
  H     20.84281404     14.41022119     -9.77565841
  H     16.42239015     14.45933352    -15.41047004
  O     18.39880670     12.05311618    -14.51864252
  H     21.24623245     13.26880421    -14.49620775
  H     16.93933756     13.04539995    -15.08245365
  O     16.16069412     13.53203995    -15.38986440
  H     21.35564359     11.87789113    -13.75321850
  H     16.87695092     12.96265850    -11.79339861
  O     17.73184052     13.28796428    -12.10459796
  H     14.98806287     12.45534186    -14.42482084
  H     17.92621786     12.82519099    -12.93194642
          69
 Energy    -250.02452067686906     
  O     10.15756253      7.19091699    -12.08749394
  H     10.36137834      6.29709319    -12.38764505
  H     16.02696163      5.02463286     -8.60834306
  O     12.54570095      5.94520153     -8.56739649
  H     10.59798293      7.77378710    -12.71916634
  H     15.03786793      6.48396988     -9.84079150
  O     16.99659151      7.72628423    -13.49194914
  H     12.00931989      6.70265005     -8.83503459
  H     15.91233472      7.43297089     -9.00156737
  O     16.66641689      3.15991070    -12.74449029
  H     13.45147948      6.26697604     -8.48904278
  H     15.90507780      4.64115087    -13.48926251
  O     16.99024912      8.87463482     -9.62764477
  H     16.52703116      8.37278684    -12.94717657
  H     16.09207121      6.18600017    -13.71537437
  O     12.85334685     10.40588073    -15.57458474
  H     17.03371452      8.09118639    -14.38550098
  H     13.59631165      5.58155214    -11.19815941
  O     10.99126730      8.09009499     -9.65248569
  H     17.26524351      3.53130331    -12.06923380
  H     14.70804416      5.98467013    -12.20590961
  O     12.96606092      6.18803213    -14.70198312
  H     17.12780243      2.43231110    -13.15224420
  H     17.21803380      8.86885813    -16.84153561
  O     14.77188675      2.83183863    -10.58775396
  H     17.41515609      9.59635992     -9.17044288
  H     15.82950936      8.48796711    -16.27276272
  O     15.44148864     10.84299756    -14.40800009
  H     16.58044300      9.25549606    -10.42256861
  H     12.50180345      8.73515506    -10.58304077
  O     18.14226841      4.23361786    -10.78691705
  H     12.45572005      9.83820803    -14.89137647
  H     13.57137138      7.88644413    -11.31023112
  O     16.35191411      4.11040188     -8.56001745
  H     12.15629525     10.96246628    -15.91142230
  H     18.10870658      7.17900354    -12.07455458
  O     15.35553474      6.64861155     -8.93879742
  H     10.28110528      8.54554915     -9.20802360
  H     18.07597847      7.56684678    -10.58948704
  O     15.45638344      5.45621091    -13.74893755
  H     10.61958681      7.72942250    -10.47753898
  H     15.64830932     10.24311285    -12.72989455
  O     14.23378298      6.27326222    -11.41775477
  H     12.32907266      5.61816033    -14.25422907
  H     14.81173675      9.50142814    -11.64621625
  O     16.70992309      8.83100587    -16.03602380
  H     13.84469869      5.88082335    -14.43210243
  H     13.66378204      8.85646048    -16.36104041
  O     13.21827087      8.78802881    -11.22553722
  H     15.35129281      2.85141196    -11.35831126
  H     13.71053101      7.33971671    -16.07256986
  O     18.46139242      6.93716173    -11.20822791
  H     15.29805026      3.17123098     -9.85275058
  H     12.36837173      4.70690208     -9.88623473
  O     15.71499684      9.71449550    -11.92091780
  H     15.97652521     10.30105476    -15.00072016
  H     13.20330906      3.62560855    -10.66236318
  O     14.15800120      8.04838156    -16.55027061
  H     14.55294858     10.82765582    -14.78433474
  H     12.36286063      7.78622220    -14.06235157
  O     12.44983163      4.23382484    -10.72740643
  H     18.33485698      5.17511551    -10.91291847
  H     12.44510861      8.77488761    -12.86277454
  O     12.00956399      8.61792611    -13.71268553
  H     17.66604963      4.16056648     -9.95214197
  H     11.58317709      4.45712648    -12.22855902
  O     11.14461937      4.68739204    -13.06652898
  H     16.41462636      3.88969298     -7.63420383
  H     10.61975763      3.93069912    -13.31611647
          69
 Energy    -250.02415875830309     
  O     -1.08714533      3.92483839      5.42644824
  H     -0.53397433      3.69195375      4.66865375
  H     -4.85401670     -4.74286553      1.53918918
  O      1.14288035     -0.25257440      0.83871325
  H     -1.10625010      3.13223387      5.97721766
  H      0.32860919      2.53254347     -0.47497862
  O     -1.99591204     -1.35226047      3.08036376
  H      1.07312276      0.44020260      0.17029340
  H      1.18470423      2.23018842     -1.72969101
  O     -3.13550334      2.59599974      0.84164160
  H      0.39870564     -0.84735007      0.68349992
  H     -3.91285494      5.36026566      5.35494472
  O     -4.28606963     -0.74973043     -1.40767715
  H     -2.95896298     -1.45095285      3.06471362
  H     -2.71617866      4.43870909      5.03154430
  O     -1.32984396     -1.54840959      0.37732343
  H     -1.69241498     -1.50501480      2.17544624
  H     -0.12695067      3.44723351      1.53923262
  O     -6.00708175      0.38900911      4.45225212
  H     -2.77720954      2.13324403      1.61769034
  H     -1.37912533      3.52865022      0.64624137
  O     -6.95105359      2.10826802      2.59860983
  H     -3.75432959      3.25281655      1.19521978
  H     -4.49496008      4.28963824      3.15450942
  O     -1.38805200      1.38016186      6.73639421
  H     -3.50731598     -0.18261998     -1.49149861
  H     -5.63681789      3.50098234      2.46216489
  O     -1.99313993      0.82437494     -0.99401331
  H     -4.82277082     -0.33934909     -0.71750500
  H     -0.69108963      2.25062905      3.21843622
  O     -5.27801896      0.67033462      0.83682429
  H     -1.59275548     -0.72338228     -0.05616395
  H      0.84067843      2.07687432      3.30113257
  O     -4.85470470     -3.80681256      1.35382407
  H     -1.86907105     -2.24065485     -0.02101444
  H     -4.88066585     -2.26557897      2.28291018
  O      0.64034342      1.82047364     -1.06314012
  H     -5.27598109      0.83705873      4.89998428
  H     -4.89456588     -0.73093455      2.01373459
  O     -3.66819130      4.57310278      4.87471058
  H     -5.61596857     -0.35578952      3.97619799
  H      2.77176858      0.34894897      3.45847067
  O     -0.42169753      3.63473850      0.63639443
  H     -7.89650564      2.20900264      2.66613026
  H      1.61343555      0.18561400      2.44723462
  O     -4.87977355      4.07709411      2.29568082
  H     -6.67906864      1.50718114      3.31605711
  H     -0.83024309     -0.90975237      4.47813489
  O      0.14616965      2.74099818      3.21851596
  H     -1.19209625      1.12020653      7.63253784
  H      0.52125450     -0.17114181      4.54983770
  O     -4.73792298     -1.40106871      2.69307167
  H     -0.96132982      0.72331484      6.15746594
  H     -3.89073751      2.78296614      5.33208293
  O      1.83549097      0.48912171      3.34596693
  H     -1.09958407      1.13186586     -1.18961920
  H     -3.06069892      1.63375056      5.98044811
  O     -0.23897552     -0.43859667      5.08047396
  H     -2.40092863      1.50388440     -0.43899724
  H     -3.15835497     -3.67761444     -1.71481150
  O     -3.82209654      1.82244601      5.41564251
  H     -5.98411811      1.11935059      1.31894257
  H     -3.70986045     -2.35579291     -1.12874943
  O     -3.28539416     -3.20315141     -0.89749927
  H     -4.55753691      1.31028596      0.78547617
  H     -2.86155622      1.56029216      3.85398830
  O     -2.28035596      1.39033439      3.10259325
  H     -4.30910103     -3.68740205      0.56239120
  H     -2.11954022      0.43808277      3.07840622
          69
 Energy    -250.02406172509342     
  O     15.39510796     10.69940081     -9.62017812
  H     15.89388582     11.51732004     -9.76175698
  H     10.70905654      9.64301428     -9.84307576
  O     17.47660501     11.88022703    -14.08315576
  H     15.87899845     10.01084455    -10.09425760
  H     14.70091856      6.08648864    -10.36065541
  O     11.52032056     11.08960629    -14.61548093
  H     17.02816806     12.66041942    -13.73395390
  H     13.70440383      6.88627338    -11.22615990
  O      9.52166196      9.88096232    -12.96300575
  H     17.94052034     11.48729118    -13.33348301
  H     11.25697096      7.49465439     -9.23501052
  O     13.82771676     12.08690269    -13.58287453
  H     11.92032715     10.39782295    -15.15589727
  H     10.79200926      8.08824662     -7.88653228
  O     15.46342220     10.24430286    -14.94790990
  H     10.82005483     10.67440940    -14.09819888
  H     15.01663219     13.33195733    -13.11274143
  O     16.94523762     12.78467214    -10.48649965
  H      8.60581888     10.14207081    -13.00835181
  H     15.57880549     14.77030591    -13.10739248
  O     16.91229304      8.69652083    -10.98033815
  H      9.82416739     10.07100886    -12.05562698
  H     13.19021110      9.39461533    -17.09716470
  O     14.59971599      5.43848152    -13.66632664
  H     14.42261083     11.45965018    -14.01554140
  H     14.01201044      9.64132648    -15.81567704
  O     18.61370873     10.76451247    -11.69698164
  H     12.94444721     11.90047275    -13.93601343
  H     15.28269415      7.38926552     -8.75016493
  O     13.20503333      8.48852377    -11.93279821
  H     15.57781486      9.45234793    -14.40241694
  H     16.36613344      6.33980075     -8.39776515
  O     10.52979423     10.32570604    -10.50002322
  H     16.23883058     10.80384658    -14.79530979
  H     10.94040207      6.47838097    -11.21285984
  O     14.00800755      5.98645039    -11.02377276
  H     16.54421713     13.24439219    -11.23481179
  H     12.13741031      5.82929461    -10.49212411
  O     11.31476635      8.27908231     -8.66191585
  H     17.62400740     12.21146086    -10.86424771
  H     13.13823681      6.32167569    -14.63125965
  O     15.78967348     13.87005817    -12.87270852
  H     16.71758052      7.99354078    -10.34853632
  H     12.69577874      7.60146048    -15.38823459
  O     13.17845882      9.27185390    -16.15022732
  H     16.49095585      8.44907116    -11.81601450
  H     11.21726519      7.13442689    -13.64021811
  O     15.94300388      6.77868787     -9.13042754
  H     14.37330462      5.49839892    -12.72237752
  H     10.24723930      8.17184551    -12.96640278
  O     11.23638147      6.14392409    -10.35311301
  H     14.83258086      4.52946693    -13.83645374
  H     13.18549948      8.54559119     -8.40315218
  O     12.36855657      6.80230818    -14.95622536
  H     18.08871946      9.99605366    -11.42081862
  H     14.46051124      9.42445680     -8.57680140
  O     10.78756881      7.38809959    -12.80883011
  H     19.52520355     10.55437855    -11.50785323
  H     14.67138093      8.29826388    -12.86685113
  O     14.13985340      8.56748409     -8.26622500
  H     12.34078874      8.19091760    -12.24565757
  H     15.41940455      7.14553600    -13.56698307
  O     15.51413400      8.06441533    -13.29200524
  H     13.10463456      9.38163954    -11.58394438
  H     13.36090739     11.53633792    -11.90826876
  O     13.09918961     11.13667933    -11.06880749
  H     11.37627684     10.77414737    -10.64168595
  H     13.88727841     11.07906771    -10.51187577
          69
 Energy    -250.02357639285978     
  O     16.47336825      3.61309212    -13.31945958
  H     16.69469510      2.70238704    -13.49148072
  H     20.15112135      7.31723548    -14.98740811
  O     14.29089774     12.11813858    -11.38653318
  H     16.78986070      4.13029049    -14.08269178
  H     16.32054258     10.42142863    -14.94374462
  O     16.99583199     12.10428666    -12.37358160
  H     15.23210123     12.20093020    -11.57676587
  H     15.03732087     11.18580238    -14.46363669
  O     11.82506719      8.15185837    -16.42828533
  H     13.87350630     11.92357353    -12.23796252
  H     16.28149354      8.20465151    -13.53433366
  O     14.93879603      5.82572773     -9.94521083
  H     17.56204410     12.86744825    -12.46041674
  H     16.31266424      7.10910010    -12.42093026
  O     13.02055374      6.72831001    -14.30436245
  H     16.69711712     11.87856769    -13.27013068
  H     17.05092483      4.89110468    -12.12440180
  O     13.35960172     11.05463208    -13.79828807
  H     12.10603797      7.56837243    -15.71058427
  H     16.50746524      5.64601885    -10.88510532
  O     14.38187114     10.78509670    -17.24476246
  H     12.48927505      8.06410666    -17.12276637
  H     14.76112723      4.32914894    -12.83111780
  O     17.32967085      5.22445444    -15.29224700
  H     15.09322401      6.75436478     -9.69632529
  H     14.18761970      5.18348990    -11.68504012
  O     16.93185917      8.76257371    -15.13852968
  H     14.67802323      5.37330508     -9.14696122
  H     17.34784207     10.50271781    -11.39003711
  O     15.19111517      6.85537989    -16.07955893
  H     13.26513975      5.95529432    -13.77446170
  H     16.83068446      9.06617860    -11.59959142
  O     19.25101739      7.29607776    -14.67411311
  H     12.96992202      7.45486742    -13.66826443
  H     18.61427423      6.83672097    -11.72606105
  O     15.93671425     11.30146221    -14.80739651
  H     12.72107882     11.05429632    -14.52077799
  H     18.77108300      8.36068102    -11.57742343
  O     15.91148893      7.94740786    -12.68044484
  H     13.28664573     10.20066529    -13.34686526
  H     14.70445222      9.01575559     -9.39499832
  O     17.19640718      5.66334292    -11.56308487
  H     13.49667553     10.95211848    -16.89535661
  H     16.20841816      8.86815223     -9.69915743
  O     13.98136649      4.82709604    -12.55668420
  H     14.99901253     11.08560401    -16.56916982
  H     14.14968963      8.24979136    -19.16157862
  O     17.38793011      9.61237912    -11.02302747
  H     18.03178481      5.86078080    -15.11503551
  H     14.25785117      9.17026235    -17.92135375
  O     19.17532087      7.58352991    -11.98194160
  H     16.58591084      5.72312510    -15.65829479
  H     13.65143056     10.86993912    -10.34925419
  O     15.45537307      8.41617797     -9.29868376
  H     16.33460328      8.13003399    -15.56462943
  H     12.56745988     10.43022715     -9.33712903
  O     14.08183282      8.25706213    -18.21085369
  H     17.80313176      8.35036145    -15.07574967
  H     11.69966235      9.86713438    -16.17071791
  O     13.26903682     10.09975301     -9.89151022
  H     14.46077806      6.79090946    -15.44786846
  H     10.93225396     11.19831981    -16.36409168
  O     11.76338064     10.83451104    -16.07235258
  H     14.83672494      7.23069501    -16.89554492
  H     13.16773199      9.05229507    -11.47794605
  O     13.30811697      8.70202650    -12.36465859
  H     19.28738038      7.40940297    -13.70725356
  H     14.23199913      8.40478315    -12.40766517
          69
 Energy    -250.02353111872125     
  O     18.40011381     10.32040671    -15.23749796
  H     18.78143851      9.45705954    -15.45067085
  H     14.97828870      9.54662955    -14.37541621
  O     21.31582331      6.64482587    -13.96117717
  H     17.47668421     10.26861690    -15.50804529
  H     18.31635492      6.44976853    -12.81346167
  O     16.57918167      8.18787702     -9.54786968
  H     20.76014038      5.95639664    -13.55592373
  H     17.52904487      7.80853198    -12.74174677
  O     13.00300531      9.72326867    -11.26526767
  H     22.19253354      6.27757884    -14.03982226
  H     14.51155351      6.15084744    -13.67771070
  O     15.70132809      9.71979076    -16.07529608
  H     15.83993785      8.67152537     -9.15881658
  H     14.25385076      7.62527971    -13.24938151
  O     11.73224647      7.18041523    -11.60001718
  H     16.19797383      7.37580540     -9.91594999
  H     19.67360676      7.65225025    -10.41324943
  O     19.41452763      4.50075912     -9.98707815
  H     12.42287659      8.95969080    -11.37604965
  H     18.36764161      7.58245994     -9.55701194
  O     15.22624110      5.99573667    -10.60648612
  H     13.54996108      9.75276457    -12.06118546
  H     18.58609647      7.47568497    -14.75814265
  O     19.57065732      4.91056750    -12.74651978
  H     15.97079019      8.81953351    -16.33097093
  H     20.03411022      7.34432652    -15.22852640
  O     16.84088060      3.75509122    -10.95166710
  H     15.29729377     10.11250431    -16.84485722
  H     13.86469975     10.10779228     -8.23270305
  O     17.39923362      3.22754491    -13.52660038
  H     12.47325545      6.91502456    -12.17133540
  H     13.76209843      9.60210800     -9.69063339
  O     14.73847717      9.35673128    -13.46088795
  H     10.93819692      6.84487980    -12.00779191
  H     20.18845208      9.28255944    -12.16454460
  O     17.67587511      7.01096114    -13.26418373
  H     19.94396195      4.13774275     -9.28334234
  H     20.84708942      7.94297558    -12.56816605
  O     14.00631730      6.70585771    -13.07015659
  H     19.34441508      5.46050402     -9.82248639
  H     19.59042857     11.74489377    -12.65926815
  O     19.20485332      7.14027305     -9.73786530
  H     14.88161964      6.22711274    -11.47794868
  H     18.98178914     10.72968725    -13.65875760
  O     19.16631562      7.64585732    -15.51754676
  H     14.49052433      6.10135849     -9.98484455
  H     16.48656506      6.03907617    -14.11741683
  O     14.15228351      9.41263125     -8.81841125
  H     18.92021214      4.30780943    -13.12827801
  H     16.29831753      4.54357424    -14.38886757
  O     20.49642858      8.43637391    -11.81882924
  H     19.61117186      4.72062597    -11.79939072
  H     17.55811422      7.27410974    -16.50500165
  O     19.27386014     10.84935392    -12.73659682
  H     16.24680771      4.49746035    -10.77365618
  H     16.28198456      6.49938795    -16.11364166
  O     15.91992194      5.40630978    -14.59137856
  H     17.66593223      3.94916357    -10.49062672
  H     12.46412351      6.85938030     -9.84135407
  O     16.60670662      7.22203123    -16.66613774
  H     17.12619726      3.35605040    -12.59821377
  H     13.35442032      7.62639072     -8.84412704
  O     13.05655040      6.74096260     -9.08739669
  H     17.39150521      2.28805414    -13.68782010
  H     16.94064739      9.09433387    -11.05295892
  O     17.02491898      9.38403772    -11.97156019
  H     15.55149109      9.43112983    -12.93723837
  H     17.78868941      9.96513923    -12.06486344
          69
 Energy    -250.02352390866054     
  O     16.26003187     11.57730384    -15.20715820
  H     16.86044182     11.44379271    -14.46127476
  H     18.17875575      7.44331621    -11.17997813
  O     16.66188747      6.55453216    -11.95200621
  H     15.45403418     11.95267000    -14.83423630
  H     13.98001354     11.76551581    -10.70824992
  O     12.27168549      8.38974014    -11.59624155
  H     15.85035460      6.43247658    -11.44034768
  H     15.37718289     12.41211863    -10.94679266
  O     12.94499742     10.42414631     -9.80828211
  H     16.48181798      6.24798045    -12.85072923
  H     15.65580627      9.23122710    -11.07066443
  O     19.71507832      9.02262725    -13.52772745
  H     12.68047476      8.83428934    -12.35476178
  H     16.21990611      8.30956713    -12.15482225
  O     12.35426936      5.90624757    -15.10944346
  H     11.69071775      7.70808699    -11.95642760
  H     16.27986562     10.22032410    -16.28107567
  O     15.99286327      5.93093766    -14.57276691
  H     12.63274364      9.70984990    -10.38788579
  H     16.47841431      9.69945166    -17.72487621
  O     13.67297404      9.65618922    -13.58110351
  H     12.21534417     10.64567649     -9.23401966
  H     12.20216122      5.00311597    -12.07029399
  O     17.68156316      9.97820575     -9.16527892
  H     19.14718423      8.53367695    -14.15049737
  H     13.49293381      5.09249621    -11.23947038
  O     14.14734683      3.84751252    -14.20789655
  H     20.60941317      8.93431804    -13.84540259
  H     17.47921580      7.01580547    -15.04828082
  O     15.23650671      8.84803387     -9.22858197
  H     12.92085888      5.14103297    -14.95111298
  H     17.51725651      8.33714589    -15.83907559
  O     18.82131088      8.12004570    -10.93010760
  H     12.93910921      6.60905144    -15.42226860
  H     13.57400472      7.16892107    -10.93238380
  O     14.46009130     12.40523725    -11.24698076
  H     15.38932253      6.60784517    -14.91185111
  H     14.66286101      7.23685900     -9.86564988
  O     15.85356453      9.19351185    -12.01406574
  H     15.47346051      5.12074598    -14.50042035
  H     10.01409248      6.03848453    -12.98516103
  O     16.30537994      9.41649024    -16.83105732
  H     14.47859699      9.52447043    -13.05460622
  H     11.38563771      6.17799146    -13.68709127
  O     13.00053824      4.51399829    -11.83726893
  H     13.61726749     10.59932087    -13.77293134
  H     17.80987516     13.19052790    -10.59200471
  O     18.03679893      7.77725291    -15.24932798
  H     17.64686326     10.82829626     -9.61590171
  H     17.54362199     11.98693905    -11.52577096
  O     14.24659782      6.62992621    -10.49471061
  H     18.16052461      9.36499891     -9.74457577
  H     14.00355707      8.51557909    -14.92047105
  O     10.92765691      6.26369759    -12.83103295
  H     13.78414295      4.01886439    -13.32034468
  H     14.90548921      8.37427417    -16.16641914
  O     17.26807395     12.41186062    -10.69552454
  H     14.16375426      2.90108699    -14.32051028
  H     13.29747996     13.16047063    -14.07817991
  O     14.28082305      7.89396635    -15.60935738
  H     16.08758330      9.27124940     -9.03353904
  H     14.09327914     12.48987288    -12.93185523
  O     13.88011946     12.43237467    -13.88139621
  H     14.53280139      9.50377625     -9.18163504
  H     18.55356819     10.40146416    -13.14695037
  O     17.77921600     10.93818327    -12.93688257
  H     19.23198885      8.39679010    -11.75692026
  H     17.10425691     10.32149523    -12.61028028
          69
 Energy    -250.02341016070341     
  O     17.54424024      9.18724513    -12.82459595
  H     18.19171007      8.67128837    -12.32733893
  H     12.82720728     10.45485792    -10.42077294
  O     12.32332641      7.35884887     -9.62813382
  H     16.73781205      9.21172847    -12.28453147
  H     18.95669440      4.52608641    -11.92977110
  O     17.06009239     11.88771383    -12.28102065
  H     11.82621980      7.60915623    -10.41823833
  H     17.87826851      4.67860357    -10.83502967
  O     11.11671448      8.33432858    -12.03374611
  H     12.52374516      8.18761660     -9.17815274
  H     13.85229497      6.60164548    -10.28018785
  O     16.37843576      7.71108462    -14.80613925
  H     16.16221466     11.93619977    -12.63994423
  H     14.95168231      7.41996988    -10.97399907
  O     19.16000538      7.59116960    -11.24397969
  H     17.42186259     11.05846049    -12.61991711
  H     19.54139133      5.65640019    -13.71475044
  O     19.26877212      9.43140123     -9.13872132
  H     10.20763891      8.28030724    -12.31506489
  H     21.01469733      5.39786329    -13.31765765
  O     17.25947556      6.12065668     -9.78922408
  H     11.66074003      8.02766078    -12.78227268
  H     17.70723228      6.35697098    -15.04762897
  O     12.72788093      7.61270472    -14.05415904
  H     16.86421636      8.24838244    -14.16070763
  H     17.68758500      4.86881623    -14.64944941
  O     14.49368459     11.63765784    -13.34656068
  H     15.84505340      7.07383763    -14.30817590
  H     14.50771510      9.59712185    -11.44573386
  O     14.39067240      9.54059685    -15.35341629
  H     19.63343847      6.97982666    -11.82161920
  H     15.54235878      9.40069132    -10.30864442
  O     12.83262913     10.46196661    -11.38610040
  H     18.48740607      7.07115229    -10.78045948
  H     17.95043421     12.60740537     -9.37276213
  O     18.18234247      4.09766309    -11.54431436
  H     18.84035916     10.24983511     -9.41578336
  H     17.41283852     11.84160658    -10.60194414
  O     14.69956460      6.51349764    -10.73697091
  H     19.38430484      8.88566572     -9.92943162
  H     16.32603013      9.26172513     -8.16880143
  O     20.16137915      5.63251700    -12.96366603
  H     17.32558746      6.62346590     -8.96943358
  H     16.40555453     10.65952984     -8.86018622
  O     18.27493338      5.58748188    -14.91554383
  H     16.33494809      6.16822337    -10.07435730
  H     15.30801864      5.02142255    -13.54388868
  O     15.31659559      9.12711080    -11.20708785
  H     13.36762201      6.90381678    -13.90671746
  H     14.75104673      5.98275591    -12.45946025
  O     17.63299649     11.75425396     -9.65658700
  H     13.19527193      8.30554303    -14.53582497
  H     18.26015829      8.48488586     -8.10179505
  O     15.79825045      9.96222160     -8.57332617
  H     13.80800475     11.39966541    -12.70963893
  H     17.89846676      7.78399485     -6.76651469
  O     14.81749205      5.84209991    -13.41506187
  H     14.44923773     10.97303725    -14.04422792
  H     14.00708497     10.01572558     -8.48690490
  O     17.56705852      7.97702563     -7.63949164
  H     15.14204226      8.93196714    -15.25833201
  H     12.68238158     10.43305134     -7.81160238
  O     13.04078792     10.00331347     -8.58442037
  H     14.35507699      9.78461758    -16.27562235
  H     17.09743314      3.74792327    -12.86890327
  O     16.55442263      3.65502148    -13.67244010
  H     12.17934384      9.80519529    -11.66196213
  H     16.43288070      2.72070945    -13.81724576
          69
 Energy    -250.02293383469595     
  O     -0.26313705      0.83713462      1.68946278
  H     -0.36673732      1.21490037      2.57140877
  H      0.59709332     -1.96539437      3.05950139
  O     -0.41663196     -1.19643266     -1.42208865
  H     -0.23296678     -0.12056709      1.81999141
  H      4.12649777      1.89878426      2.69434734
  O      3.75689854     -1.82207000      2.23193406
  H      0.34904135     -1.60294560     -1.00313212
  H      3.12108973      0.91113350      3.32787391
  O     -2.95812798     -1.11709659     -0.53518070
  H     -0.10671981     -0.34237276     -1.75895473
  H     -0.48012808      4.62943125      3.36810771
  O      1.95614676      3.95792249      1.38457608
  H      3.98811823     -0.88823959      2.31987774
  H      0.86257531      4.01792554      2.91370935
  O      0.63819987      1.30194752     -2.05800045
  H      3.22731373     -2.02210959      3.01321048
  H      3.31889792      3.64274946      4.51998588
  O     -2.71283062     -1.34036290      2.31187871
  H     -2.04487705     -1.20720885     -0.86684306
  H      1.83000701      3.79773440      4.86631554
  O     -1.97132498      5.28450288      2.45980825
  H     -3.51124825     -1.63631215     -1.11200351
  H     -0.57089135      4.62484210     -0.47517601
  O     -3.24273944      0.75186951      3.97653024
  H      1.28654970      4.47813895      0.91374883
  H     -0.84822481      5.27624941      0.90282422
  O     -0.58250793      1.58202689      4.33323803
  H      2.00292553      3.09967438      0.94727886
  H      1.94250678     -2.42907120      5.25024712
  O      1.90720511     -1.64947752      0.19177669
  H      1.27752939      1.41613279     -1.34395625
  H      1.97393850     -0.99723091      4.66946742
  O      0.04405972     -1.88160129      2.27277247
  H      0.06453316      2.07600462     -2.02720740
  H     -1.60974278      1.33109682      0.59840463
  O      3.74610673      1.01769540      2.59661483
  H     -1.81714763     -1.69728249      2.38108212
  H     -2.73785648      0.70044245     -0.24216400
  O      0.27811332      4.11810278      3.67797423
  H     -2.90345004     -1.31026136      1.36652719
  H      1.21651905      1.15429348      0.82404347
  O      2.65795304      3.41787106      5.18644181
  H     -2.55926837      6.00086965      2.68363886
  H      2.75071617      1.14386055      1.07905137
  O     -0.17297466      5.15960663      0.22344549
  H     -2.51858950      4.48204814      2.38655614
  H     -1.76662942      2.74570979     -1.10794059
  O      1.88719415     -1.93665035      4.43501985
  H     -3.07883848     -0.00064545      3.38000784
  H     -1.92009184      3.60137770     -2.38859930
  O     -2.37302774      1.54760850      0.04054242
  H     -3.89334853      0.46031782      4.60983030
  H      2.34736919      1.62144489      5.11626306
  O      2.07960727      1.28966425      0.39700112
  H     -1.52841048      1.39357708      4.33794938
  H      1.04539485      0.93498264      4.68011858
  O     -1.31698297      3.39152930     -1.67940097
  H     -0.43315508      2.53059999      4.20415246
  H      3.49142926      3.98501342      2.29100606
  O      1.99206708      0.77475487      4.80971993
  H      2.00255419     -0.70199470      0.04268390
  H      4.94798248      4.42155370      2.57461804
  O      4.27328472      3.80217534      2.84040424
  H      2.62802438     -1.87698858      0.79871118
  H     -3.44053033      2.28111097      2.87449701
  O     -3.36970232      2.98479084      2.21910485
  H      0.63797296     -1.95204050      1.51245847
  H     -3.15055984      2.53824358      1.39023932
          69
 Energy    -250.02283387963291     
  O     12.69012594     13.28993765    -12.71725381
  H     11.90408121     13.82501117    -12.63664041
  H     13.90764372      9.21705179    -15.53492371
  O     16.73034500      9.03658051    -16.97953159
  H     13.06680386     13.47877826    -13.59496054
  H     16.34487948     10.67387316    -17.63687468
  O     14.95584170      9.23704263    -11.40001773
  H     17.40908727      8.92584574    -16.30473656
  H     16.78079806     12.16615016    -17.66646423
  O     17.19287148     15.32878507    -12.78316991
  H     16.01186701      8.44371950    -16.72634220
  H     14.43290314     11.86600525    -17.58565049
  O     14.65668438      7.58341969    -15.67402052
  H     14.20096563      9.68567865    -11.80937707
  H     12.99833090     12.09029586    -18.12769579
  O     13.75130261      6.88715355    -10.41463269
  H     14.59910116      8.48565701    -10.91181035
  H     18.10841711     12.43089279    -11.92000907
  O     14.83624686      5.58112297    -12.53866823
  H     16.43884410     14.93380603    -12.30918977
  H     18.36852417     13.83220806    -12.49803548
  O     15.70859345     11.65546358    -14.29902442
  H     17.35972403     16.17343536    -12.37243396
  H     18.60857786      9.88969579    -14.70449272
  O     12.77484991     10.43145473    -12.68342792
  H     13.94486199      6.99023159    -15.40427381
  H     19.45119398      8.59373747    -14.72356053
  O     16.28328319      7.83256291    -13.44445827
  H     15.24600179      7.65374396    -14.90625474
  H     12.32820746      6.68019159    -13.73196915
  O     18.40970238     11.65166173    -14.73238575
  H     14.16072066      6.32777317    -11.09925235
  H     11.95193418      5.49267452    -14.64825434
  O     13.60012890     10.09204079    -15.26386588
  H     13.72392671      6.37103904     -9.61402064
  H     16.69067900     15.11217431    -14.58402857
  O     16.06857546     11.56377246    -17.90386885
  H     14.13885827      5.56380470    -13.20592216
  H     16.95546382     14.47260335    -15.97508085
  O     13.50151848     11.99763593    -17.32400761
  H     15.48512284      6.22410799    -12.85648741
  H     16.05007042     10.73169257    -11.29209098
  O     18.77373123     12.96401874    -12.37812526
  H     15.25992322     12.48337873    -14.50718962
  H     16.20480916     11.61002698    -12.53927614
  O     18.55458368      8.91984451    -14.72145076
  H     15.11931123     10.96372752    -14.62310525
  H     13.70229553     13.22280165    -15.91748331
  O     12.67842958      6.05350684    -14.39026424
  H     12.99030882     10.29641616    -13.62001282
  H     14.68178607     14.28010012    -15.30308575
  O     16.29569030     14.93800410    -15.44832915
  H     12.68115156     11.38328837    -12.56694543
  H     12.01729857      8.70640611    -12.47975410
  O     16.45585946     11.54908663    -11.60448415
  H     15.92116031      8.40270449    -12.75254455
  H     12.37035884      7.46737223    -11.63517208
  O     13.91101162     13.72017270    -15.11710546
  H     17.11210391      8.21374077    -13.75734180
  H     15.59726350     13.16927385    -11.34034811
  O     11.87602273      7.75338674    -12.41349830
  H     17.44037760     11.62490630    -14.68114280
  H     14.29435263     13.83739016    -11.81679839
  O     15.18315171     14.02944360    -11.49843722
  H     18.70893989     12.11266560    -13.93422202
  H     18.37812346     12.70423412    -16.17135246
  O     18.14938302     13.29349124    -16.90958148
  H     13.47105891     10.64046306    -16.04705521
  H     18.96581402     13.51173940    -17.35222140
          69
 Energy    -250.02243978267290     
  O     -1.13859419      2.57915860      4.71133410
  H     -1.50873219      2.44610420      5.58002765
  H     -2.10447162      6.05396344     -0.71648711
  O     -4.02022128      1.16863328     -0.99606726
  H     -1.29142326      3.51377933      4.47912134
  H     -1.16115026      4.19783959     -1.51615619
  O     -2.66123229      2.20891088     -3.31919645
  H     -4.05382152      1.92671779     -0.39915360
  H     -2.43608342      3.81156765     -2.28333131
  O     -3.53835503      5.95351289      2.05622022
  H     -3.73473383      1.51629106     -1.84988713
  H      2.69774811      3.60301364      3.93765389
  O     -1.78601208     -0.02607721      0.08140934
  H     -2.77573763      2.05490790     -4.25349984
  H      3.83756028      4.58500620      4.29806449
  O     -0.44903409      0.97854586     -2.21772556
  H     -1.84733056      1.74506511     -3.05783535
  H      1.07518893      2.22053322      1.48921567
  O      0.68054521      7.27839051      0.47767174
  H     -4.25036795      6.56656417      2.21783280
  H     -0.42629302      2.56457927      1.53877788
  O      1.72384775      2.21012052      4.33255563
  H     -3.01705385      6.31649294      1.31626109
  H     -2.98395513      3.78256459     -0.08599668
  O      1.99217886      0.67443412      1.99361233
  H     -1.77276840      0.51274902      0.88696481
  H     -3.66377654      4.27379990      1.20840348
  O      0.52880239     -1.36531195      0.66949654
  H     -2.63479286      0.17526554     -0.33727034
  H     -0.68469512      5.32589707      3.40845142
  O      3.84757386      3.73031726      0.87082871
  H      0.43163468      0.57763475     -2.16989656
  H     -2.22685889      5.42103412      3.30270274
  O     -2.06146998      6.75487045     -0.05262207
  H     -0.91465282      0.68087714     -1.42402855
  H     -1.76412886      1.97084422      3.08058276
  O     -2.10740441      4.39370179     -1.58901356
  H      1.01242855      8.11892929      0.78469020
  H     -2.53983071      2.37910234      1.76632213
  O      3.18581496      4.38872084      3.63089878
  H      0.76907865      6.65379894      1.21849737
  H      0.70940493      4.53553664      1.96881482
  O      0.43388170      2.90488155      1.26110314
  H      1.83607298      1.55694605      3.62800395
  H      1.70100537      5.22407820      2.92288073
  O     -3.48113231      3.48172504      0.68869643
  H      0.77492899      2.29822957      4.47831058
  H      1.83079375      4.77566870     -1.22608386
  O     -1.50868567      5.10436531      3.86307685
  H      1.47765420     -0.06548433      1.64852945
  H      1.91088997      6.13657674     -0.51992528
  O     -1.91095671      1.75094361      2.15283570
  H      2.75421390      0.77910270      1.40731404
  H      0.52970734      3.32117221     -0.44854228
  O      0.88595711      5.37159577      2.42724272
  H      0.38119441     -2.28779246      0.86255271
  H      0.27927965      2.65306524     -1.81248622
  O      2.45346366      5.40921683     -0.84284236
  H     -0.33775822     -0.98621986      0.44493698
  H      4.86496318      0.93436380     -0.05139033
  O      0.48954071      3.49977360     -1.40134595
  H      3.67861512      4.00014811      1.77868144
  H      3.94497291      2.12436609      0.30189178
  O      3.95084298      1.17778372      0.06777367
  H      3.41983280      4.37749123      0.29055697
  H      2.65099808      0.37092191     -1.10609559
  O      1.94682505     -0.13763248     -1.52633341
  H     -1.13047854      6.98991111      0.04327282
  H      1.56633112     -0.68144213     -0.82524266
          69
 Ord_Energy   -249.123932    
 O    1.85729289       4.48859024       5.17182112    
 H    2.63252425       4.20950890       4.66345167    
 H    1.28591490       3.71675563       5.24769163    
 O    3.82465720       1.52167761       5.90998840    
 H    3.96632552       2.27193546       5.31587982    
 H    3.23732114      0.901255488       5.46178436    
 O    5.78199625       1.76524258       2.66437411    
 H    6.31891680       1.88763583       1.88581264    
 H    6.34127283       1.31491375       3.32257247    
 O    2.32027936      -1.82159865       6.80666924    
 H    2.32397985      -1.38514984       7.66881514    
 H    3.14659619      -2.31399012       6.76221418    
 O    6.08341885       3.47331023       8.57792854    
 H    6.46770573       3.26935005       9.43897820    
 H    5.14317226       3.63832450       8.73942089    
 O    5.36829281     -0.902176976       8.61108971    
 H    5.76715994     -0.189732775       8.08922291    
 H    4.44788218     -0.655612111       8.78586102    
 O    3.02330065       5.98499489       7.11429596    
 H    2.53944921       5.47825813       6.43711615    
 H    2.70889091       6.88341522       7.06134605    
 O    5.89782476      -4.14365716E-02   11.2667685    
 H    6.32279587      0.823506713       11.2099600    
 H    5.89192390     -0.409338564       10.3736935    
 O    3.89139271     -0.414686650       3.04170012    
 H    4.43188477      0.351879925       2.81777215    
 H    4.49396086      -1.04658246       3.45284724    
 O    2.69762182     -0.276717097       9.17013645    
 H    2.76064038     -0.108749412       10.1185036    
 H    2.36083317      0.535150588       8.76459122    
 O    3.35994887       4.02899981       9.08762550    
 H    3.22515750       4.80315542       8.52648830    
 H    2.78824997       3.33644986       8.72753143    
 O    4.99619722      -2.97875500       6.89425373    
 H    5.20328474      -2.27939749       7.53847122    
 H    5.09411144      -3.80971861       7.35277843    
 O   0.277366966       2.08798599       5.55030823    
 H   0.760774314       1.31886637       5.20118523    
 H  -0.633516312       1.97663152       5.29093456    
 O    3.27370787      0.354184955       11.8504095    
 H    4.22191429      0.164028823       11.7279167    
 H    3.01738405      -4.24902402E-02   12.6789045    
 O    5.57268858       4.98769999       6.19687128    
 H    4.79245043       5.45547247       6.52110052    
 H    5.93814182       4.52937126       6.96310616    
 O    1.79931080      -5.52031882E-02   4.76325274    
 H    2.41113138     -0.242332175       4.03573656    
 H    1.89562833     -0.751681805       5.43100405    
 O    6.25386620       1.16645980       7.05479145    
 H    5.39230585       1.23347843       6.61098099    
 H    6.33840942       1.96999729       7.58384657    
 O    6.72952080       2.70626521       11.2196341    
 H    7.27625704       3.12755871       11.8776264    
 H    5.80376244       2.90903783       11.4500408    
 O    7.15947390      0.359676868       4.53420544    
 H    7.01906633      0.668485284       5.43976355    
 H    6.79221153     -0.531869948       4.49882793    
 O    5.77905607      -2.15062308       4.35690308    
 H    6.13114977      -2.91066408       3.89816976    
 H    5.50717020      -2.46021342       5.23440933    
 O    4.31798649       3.60871124       4.18615961    
 H    4.86391258       3.09135485       3.58207440    
 H    4.89579344       4.10707331       4.78655863    
 O    4.08135891       3.11839795       11.6397409    
 H    3.65626025       2.25772119       11.7329302    
 H    3.73209643       3.51606846       10.8299046    
 O    1.95180941       2.01783419       7.82803774    
 H    1.17971826       2.09534669       7.25719309    
 H    2.69802594       1.90105546       7.21673679    
          69
 Energy    -250.02226409185153     
  O     13.43983280     15.41217470    -10.49451142
  H     12.99866606     14.57026341    -10.27771386
  H     12.58319932     14.36393737    -14.26219320
  O     15.10879716      9.42512163    -10.90237522
  H     13.07193864     16.07567767     -9.91721299
  H     18.85690125     13.16544887    -12.57544238
  O     16.24002771     15.86962262    -14.15898544
  H     15.92838293      9.75103375    -11.30775108
  H     19.15936594     12.21539174    -13.76106700
  O     14.56323010      9.64291698    -15.39254871
  H     14.42894550      9.44020097    -11.59117347
  H     13.17523609     12.41539444     -9.57450230
  O     15.46183923      6.75631594    -11.92290034
  H     16.30265956     15.02418121    -14.63661841
  H     12.35556768     12.57013430    -10.86974712
  O     16.95644178      6.64325862    -14.20054503
  H     16.55533171     16.54550885    -14.75423500
  H     18.15220107     10.80715425    -15.37945210
  O     15.23466551     12.50041421    -12.78139072
  H     14.32272220     10.49775427    -15.77807749
  H     19.12463848     11.53307460    -16.33451811
  O     13.22031992      9.34885240    -13.00589902
  H     15.51602377      9.64091974    -15.23620096
  H     15.27144626      6.65772795    -15.17405020
  O     17.28609913      9.38355559    -14.70691113
  H     15.41610465      7.57195072    -11.41037670
  H     14.33872645      7.79809665    -15.61346696
  O     12.47888975     11.95171923    -12.55932448
  H     14.55946131      6.58090569    -12.21948350
  H     15.05104558     11.21969491     -8.24205082
  O     13.97651295     12.17667707    -16.24763357
  H     16.48785551      6.67006532    -13.34699006
  H     14.89883871     10.75726500     -9.70390693
  O     12.07316568     13.67389429    -14.72447886
  H     17.56526027      5.91075127    -14.15557342
  H     17.42034216     15.17878601    -12.75514668
  O     19.21213426     12.29220860    -12.80281025
  H     15.46243808     13.06934287    -12.03376174
  H     17.31643960     14.46666587    -11.39723757
  O     12.48005085     12.94362254     -9.98408470
  H     14.28840618     12.32324569    -12.72551981
  H     16.43864980     11.24267817    -12.46450475
  O     18.53312771     11.67377192    -15.59939132
  H     13.69654432      9.47688312    -13.84095964
  H     17.97148870     11.11930845    -12.29724724
  O     14.36384656      6.84564650    -15.44280349
  H     12.93764860      8.42731616    -12.98913474
  H     14.43689140     15.70483709    -13.58892160
  O     14.82791690     11.52779768     -9.11744144
  H     17.28344342      8.42269784    -14.61897352
  H     13.47712373     15.53462611    -12.38710885
  O     17.93071264     14.67163870    -12.11444399
  H     17.25948221      9.74508841    -13.80678531
  H     12.19655115      5.91119881    -13.24593687
  O     17.14741348     10.61139703    -12.26428454
  H     12.20279193     12.42687809    -13.35308392
  H     13.34598107      6.57917651    -14.04143344
  O     13.52268448     15.50894394    -13.35041078
  H     12.56683078     11.00989245    -12.76250527
  H     15.06835133     14.50780117    -10.37221629
  O     12.89473093      6.55607874    -13.17763001
  H     14.79328558     12.65283859    -16.04737588
  H     15.56895506     13.11401420     -9.89810164
  O     15.80839255     13.88805143    -10.42341676
  H     13.27289962     12.67829152    -15.81925039
  H     15.94476369     13.01603156    -14.34300869
  O     16.30782592     13.34208103    -15.18274821
  H     11.29550503     14.09754139    -15.07789584
  H     17.10142410     12.82820342    -15.37489887
          69
 Energy    -250.02224481643390     
  O     11.03275741      8.81093861    -13.89766183
  H     11.56432352      8.86575514    -14.70455225
  H     19.94960694      8.22962719    -13.32030154
  O     16.86097776      7.16493662    -14.52791290
  H     11.21913256      9.61736184    -13.40350317
  H     13.32825210     12.06265641    -15.45570525
  O     16.31790444      9.99398796    -10.38933395
  H     16.42377248      6.47655346    -14.00700674
  H     14.40979113     12.15116382    -14.38402685
  O     16.13192876     11.35608753    -14.52731257
  H     17.64669928      7.44913595    -14.04349230
  H     14.13379717      8.89886746    -14.71407655
  O     13.72734514      6.60793554    -17.30460296
  H     15.41080340      9.84604577    -10.68589529
  H     15.50964629      8.33670725    -14.21374911
  O     15.22399138      5.68529090     -9.34077830
  H     16.53914488      9.24792464     -9.81955349
  H     11.19283123      7.18505959    -13.34639770
  O     15.38238816      5.40369258    -12.99835901
  H     16.33546717     11.26415217    -15.46424308
  H     10.49927855      5.86635937    -12.92807102
  O     13.80808692      9.41444603    -11.54204559
  H     15.68032771     10.53085866    -14.28567853
  H     18.09528308      6.94119880    -10.15046511
  O     16.26255785     10.69953825    -17.34031223
  H     13.42027476      6.03586238    -18.00223549
  H     18.71291241      7.00131020    -11.57039356
  O     16.98774424      4.18964179    -11.07034002
  H     13.61089069      6.11779776    -16.46916004
  H     14.10448804      5.25647700    -14.34174481
  O     16.20069840      8.01657365    -17.08624823
  H     14.52789304      5.98777924     -9.94073279
  H     12.61373069      5.63942430    -14.36996664
  O     19.04283121      8.10454745    -13.05435562
  H     15.74326378      5.04168986     -9.83770383
  H     17.43017964     10.94596617    -13.18845081
  O     13.46145294     12.27340802    -14.52556511
  H     14.78177022      5.90037502    -12.42373961
  H     17.41210243     10.39270487    -11.73816368
  O     14.81459085      8.98308991    -14.03526645
  H     15.92853649      4.85941755    -12.41810003
  H     17.15867597      7.75848848     -7.88988280
  O     11.35332118      6.26077476    -13.08275552
  H     14.20559482      9.24133419    -12.41146984
  H     16.30625659      7.00905006     -8.93921717
  O     18.50613002      6.40513970    -10.84098703
  H     13.10698923     10.05505438    -11.70350504
  H     13.29586814     11.78034440    -18.07363208
  O     13.35477304      5.39163453    -14.93592770
  H     16.99853856     10.92286347    -17.90370538
  H     14.51370576     11.16009189    -17.35047587
  O     17.96535394     10.49073681    -12.52927803
  H     16.25766821      9.72773629    -17.25929819
  H     12.72282458      6.47033377    -11.83503749
  O     16.97937095      7.70276579     -8.82494628
  H     17.59964400      4.94661230    -11.00382647
  H     13.59033123      7.63924392    -11.30172598
  O     13.55883382     11.32242996    -17.27903733
  H     17.50326049      3.40269250    -10.92013189
  H     12.42396106     11.61918050    -13.26107587
  O     13.52099161      6.67426603    -11.33270150
  H     16.54828539      7.66819340    -16.25285132
  H     11.37397654     11.91107840    -12.16691031
  O     11.87283895     11.20701912    -12.57274544
  H     15.40460321      7.50427304    -17.26954120
  H     12.99308515      9.71987473    -16.53847462
  O     12.81302249      8.91913062    -16.03107314
  H     18.68432097      8.98916108    -12.85237260
  H     13.05502814      8.15774614    -16.57386336
          69
 Energy    -250.02221376741596     
  O      0.61935534     -1.16576644      5.61269160
  H      0.39391118     -0.23672679      5.46465868
  H     -5.33528544     -1.28356021      2.84648249
  O      1.89762714     -0.68156924     -2.06101841
  H     -0.20901949     -1.60083107      5.84484305
  H     -3.12755822     -0.96940535      5.76619733
  O     -1.98278143     -2.34633311      6.24190340
  H      1.03531953     -0.36150459     -1.76184226
  H     -3.40048060      0.56257994      5.61027359
  O     -0.39836853      0.02919101     -0.59073199
  H      1.87932910     -1.63913952     -1.93827593
  H      0.41340466      2.05760770      2.04584854
  O      1.83041041     -3.42148101     -1.17792320
  H     -2.02016262     -2.91346939      7.00791157
  H      0.33743381      3.59511131      2.14045235
  O      3.20677813     -2.37258308      0.92234917
  H     -2.26131263     -2.88827055      5.48087918
  H     -2.62294413     -0.44047995      3.71439388
  O     -2.90404877      3.11667485      3.23249774
  H      0.18366243      0.22062845      0.15749658
  H     -1.22337079      0.16870154      3.59937647
  O     -4.91597918     -3.02279617      2.25735912
  H     -1.28506908      0.30604217     -0.32239896
  H     -0.69512935     -1.77459573     -0.59715521
  O     -0.30328976      1.35263018      4.81581295
  H      2.26634971     -4.20525097     -1.50119084
  H      0.01903511     -3.12655733     -0.79437696
  O      3.55582761      0.29329911     -0.14569502
  H      2.33036115     -3.12518484     -0.39616162
  H      0.78441868     -2.19200613      2.76552862
  O     -4.96952932      1.85731061      1.73175116
  H      2.74184800     -2.22421939      1.75735544
  H      1.39593658     -1.53291983      4.01580987
  O     -5.42134524     -0.38025831      3.17424749
  H      3.50140558     -1.50304367      0.62782912
  H     -3.01635517      2.99912378      6.40694730
  O     -3.67364758     -0.31429857      5.31185661
  H     -3.59550994      2.74053826      2.67345604
  H     -2.88095559      2.65788233      4.89994755
  O     -0.10909559      2.79417212      2.40544837
  H     -2.06203269      2.97868963      2.78402753
  H      1.39946319     -0.13109359      2.12704035
  O     -1.87936349     -0.33836526      3.10716158
  H     -5.58850747     -3.65062239      2.00516019
  H      2.15935562      0.64087434      1.01387378
  O     -0.81770761     -2.73253012     -0.51980404
  H     -4.42834151     -2.79770598      1.44479109
  H     -2.02608781     -3.57991492      3.40979080
  O      1.54600726     -1.67763501      3.07153733
  H     -0.11748006      1.97079588      4.09825747
  H     -3.55817805     -3.51304843      3.51441992
  O     -2.76371112      2.30698533      5.80252203
  H     -1.07003886      1.70172557      5.28889519
  H     -0.85713683     -2.85015552      1.30275655
  O      1.34754740      0.63553036      1.53792641
  H      4.33040491      0.72709447     -0.49199018
  H     -1.23344256     -1.94431106      2.51794849
  O     -2.76193855     -3.68993807      4.02880284
  H      3.03263318     -0.00767248     -0.91085109
  H     -2.71106472     -2.59042366     -0.26518439
  O     -0.82545361     -2.78721209      2.26560750
  H     -5.79455635      2.22592313      1.42899569
  H     -3.40936667     -1.28671153      0.15264578
  O     -3.55105742     -2.23726098      0.05195368
  H     -5.18872009      1.06029780      2.24939954
  H     -3.60036588      1.00270892      0.80314131
  O     -2.83411780      0.44745486      0.62096765
  H     -4.96212840     -0.36330985      4.02557222
  H     -2.47971984      0.19481383      1.48774621
          69
 Energy    -250.02128272272034     
  O     17.17025592     10.58139537    -14.93309749
  H     16.52860329     11.29059988    -14.80459247
  H     16.53846465      6.88046558     -9.96104944
  O     15.15504870      6.41191385    -11.13246568
  H     17.48621871     10.36518279    -14.04442218
  H     12.88490481      8.59346278     -8.81218883
  O     11.55412862      8.51095992    -13.12975693
  H     14.19268655      6.35017113    -11.19973828
  H     11.79453358      7.82105930     -8.03394852
  O     12.94694431     12.01883755     -9.93174503
  H     15.52845794      6.24269398    -12.00814875
  H     14.41272388     12.54446675    -11.03439096
  O     18.63780170      7.08856652    -12.21906597
  H     12.28791291      9.08437915    -13.40219579
  H     15.95923024     12.45527168    -11.06755894
  O     13.81056525      6.50777675    -16.29579126
  H     11.33781325      7.95949901    -13.89097482
  H     14.77861287      9.48918780    -10.58979230
  O     16.40226394      6.24991422    -13.63189159
  H     12.43482900     12.74049642     -9.57521203
  H     15.11576130      8.20692851    -11.37232293
  O     13.75197723     10.00984422    -13.68707315
  H     12.31076427     11.38668242    -10.31122193
  H     11.87191180      5.34053091    -14.08955724
  O     16.91488004      9.59413472     -8.23951963
  H     17.91153327      6.72199179    -12.75025481
  H     12.32396425      5.23302135    -12.62381780
  O     14.73492073      4.28171715    -14.69727229
  H     19.44491803      6.72027465    -12.57003938
  H     11.34989177      9.36849442    -10.11755885
  O     14.20234423      9.78760299     -8.81381327
  H     14.17442426      5.69764221    -15.91992902
  H     11.20452281      9.61382638    -11.62880166
  O     17.35103457      7.29261187     -9.63634721
  H     14.43197794      7.20911457    -16.05642202
  H     12.12280245      7.25086034    -11.93596454
  O     12.09650167      8.03305318     -8.91352125
  H     16.13264300      7.02437963    -14.14849350
  H     12.23476187      6.93952546    -10.42485548
  O     15.18672980     12.75928448    -11.56571909
  H     15.94828309      5.48799977    -14.01401624
  H     12.17127797      6.70104317    -15.71943095
  O     15.07415788      9.16937222    -11.44872578
  H     14.20691613      9.78179493    -12.86054005
  H     10.65040243      6.63651072    -15.99445620
  O     12.36238465      4.77939981    -13.47547619
  H     14.08353762     10.87405440    -13.95952887
  H     17.26662445     11.03383832     -9.49696847
  O     11.24276464     10.06520994    -10.77608082
  H     17.10350224      8.77346263     -8.72901057
  H     17.68051168     11.09378657    -10.97010539
  O     12.39708461      6.57154620    -11.30183797
  H     17.43114194      9.55861429     -7.43850820
  H     14.79786711      8.86641165    -14.67450788
  O     11.29407252      6.71983741    -15.29603940
  H     14.79816506      3.35867684    -14.92703161
  H     16.20106473      9.07183255    -15.24435446
  O     17.35922101     11.64057322    -10.23937174
  H     13.89711046      4.39362362    -14.21253407
  H     14.86094849     13.26210159    -14.64704698
  O     15.51195435      8.40207840    -15.13176523
  H     15.11806466      9.82238531     -8.50720428
  H     15.14153944     12.60026352    -13.27715052
  O     15.05299512     12.42568052    -14.23258140
  H     13.89744361     10.67767219     -9.03663395
  H     18.14757603      8.91357141    -12.26795491
  O     17.69855474      9.76607650    -12.29102666
  H     17.96294302      7.22803087    -10.37822087
  H     16.78893858      9.60158371    -12.00019024
          69
 Energy    -250.02113702882485     
  O     10.67660331     11.28759137    -10.80926148
  H     10.45063784     10.34913930    -10.79501186
  H     11.10340886      8.26705712     -9.88664822
  O     13.55938008     10.86806839    -18.13899549
  H     10.61393102     11.57146585    -11.72870628
  H     12.45681000     12.70781327    -12.94301328
  O     12.37022759      8.20925630    -12.54382296
  H     13.62518543     10.64664349    -19.06360173
  H     13.57795713     11.87693252    -12.29604225
  O     14.68851687     10.19564138    -15.65431097
  H     12.62026116     10.77911093    -17.89378571
  H     17.05387796     11.10003271    -12.37357947
  O     12.86876173     10.93176407     -9.19350440
  H     12.93528030      8.93994744    -12.24086867
  H     16.75102362      9.62781400    -12.79499017
  O     13.41901803     13.41389844    -16.78288624
  H     11.62678207      8.16486121    -11.93022561
  H     15.70429698      9.04045482    -14.75383301
  O     12.02304933      9.74335796    -14.77587881
  H     14.90424945     11.07409677    -15.30688720
  H     16.87947395      8.04063926    -14.80958852
  O     15.12912864      7.39362592     -9.51538501
  H     14.40682086     10.32114089    -16.56964701
  H     13.92688045      7.21292915    -12.37577969
  O     13.98177425     10.26486637    -11.66345541
  H     12.11259372     11.28648560     -9.68709008
  H     15.36380324      7.40198244    -12.89088482
  O     12.47747266      8.23684671     -8.82012577
  H     13.47785543     11.63489401     -8.94712182
  H     16.73987796     13.24741821    -12.19488696
  O     15.50429909     13.73150125    -11.09646356
  H     14.09900212     13.33872904    -16.10100661
  H     18.14415562     13.39302458    -12.83390027
  O     10.41176364      8.39437850    -10.56207495
  H     13.54369418     12.65010522    -17.35900960
  H     10.69444327     12.57962263    -14.36718559
  O     13.36992495     12.76040240    -12.63779762
  H     12.94406683      9.89410368    -15.02367492
  H     11.24436365     11.20160308    -13.95644205
  O     16.79008131     10.23178649    -12.04314433
  H     12.03510554      9.07912981    -14.07363906
  H     15.52901617     12.65565261     -7.76673207
  O     16.29205287      8.49211420    -14.20794822
  H     15.06501283      7.22812262    -10.47190292
  H     15.64730643     11.51633919     -8.80746776
  O     14.84738766      6.96888209    -12.20278420
  H     15.51978661      6.61166831     -9.13252035
  H     16.02538082     12.84681427    -14.23021579
  O     17.34400818     12.87621467    -12.86561825
  H     14.94454748     10.21595770    -11.68851043
  H     14.49878020     12.80690724    -14.00124266
  O     10.87778550     12.02422836    -13.59966805
  H     13.70444063     10.40316068    -10.74676725
  H     10.34517950     14.18301457    -16.39536341
  O     15.22698881     12.37722256     -8.62730216
  H     13.34269296      7.85979466     -9.01555366
  H     11.72014786     13.48266472    -16.30366510
  O     15.18351722     12.73593857    -14.68518746
  H     12.61581199      9.19545529     -8.77604472
  H     16.68440794     10.05325323    -10.20159104
  O     10.77782686     13.39633438    -16.07415975
  H     14.66678132     13.56925511    -11.55170596
  H     15.91684372      9.11381793     -9.25872074
  O     16.33418193      9.98274912     -9.30294426
  H     15.41921294     13.34020917    -10.21821929
  H     10.76241560     11.62732114    -16.89473460
  O     11.02585409     10.74376695    -17.17922194
  H      9.64500345      7.91254665    -10.26477550
  H     11.21704713     10.25781516    -16.36352052
          69
 Energy    -250.02102753760997     
  O     17.55139565      3.82105222    -10.48722167
  H     17.02773520      4.07281905     -9.71634031
  H     16.99209196      9.20799631    -13.97590080
  O     17.75299357     10.10500500    -12.55995068
  H     16.99762115      3.27277993    -11.05451118
  H     12.82457650      5.93643887    -13.29372213
  O     12.93059636      7.40233685    -12.21840923
  H     18.36778039     10.83062424    -12.49168601
  H     12.62242656      5.24980520    -14.67274114
  O     12.34482530      5.72764043    -16.43810868
  H     18.08484522      9.40116298    -11.97396694
  H     16.01940394      6.30892154    -12.24702473
  O     15.04863098     10.49291805    -11.62360988
  H     12.47110727      7.50293967    -11.37666075
  H     14.96185971      5.51144744    -11.41575857
  O     16.53393462      7.33223165     -9.23253845
  H     13.84544762      7.17992916    -11.98087751
  H     20.07754214      5.05852411    -11.88414722
  O     18.59317397      8.10493011    -10.94121297
  H     12.55355577      6.67960133    -16.46183775
  H     18.65111606      4.85982764    -11.31612743
  O     15.12729496      5.18898510    -16.99721146
  H     11.58202524      5.59907631    -16.99524417
  H     12.95354063      8.19278838     -9.38868873
  O     16.08017433      4.71932613     -8.19971599
  H     15.97449146     10.43010799    -11.88514697
  H     11.46591634      7.96582321     -9.02562604
  O     13.15010904      8.30202963    -16.50425574
  H     14.53976718     10.29197930    -12.41736844
  H     13.02019853      5.92738632     -9.04797185
  O     15.91170683      7.95992274    -17.16378093
  H     16.51834654      6.53871851     -8.68710782
  H     13.45223275      4.60986663     -9.73110302
  O     16.53779423      8.59298725    -14.56559034
  H     16.09628073      7.07065324    -10.05962575
  H     14.75393440      9.04025600    -14.15776285
  O     12.92459519      5.09817136    -13.76852027
  H     17.96545312      7.92044373    -10.22830879
  H     13.44367522      8.69731431    -13.38464352
  O     15.36587803      6.37964597    -11.54055625
  H     18.90272854      7.24507679    -11.24558811
  H     14.57441125      9.68887999    -10.06804289
  O     19.20433401      5.44045402    -11.86991726
  H     14.16848604      5.28854394    -16.93676111
  H     15.15667176      8.63298969     -9.09902531
  O     12.19437509      7.59168047     -9.51316975
  H     15.47374219      6.08174731    -17.11688915
  H     17.94848589      5.81030005    -13.15097631
  O     13.48728562      5.09738507     -8.89618005
  H     16.13321799      4.35065597     -7.32192998
  H     16.70096569      5.33908223    -13.99606606
  O     13.84897489      9.33824741    -13.98733830
  H     15.13400693      4.85726345     -8.38645962
  H     13.35324202      4.21488930    -12.20135752
  O     14.36539688      9.15056981     -9.29027289
  H     14.04069770      8.26827678    -16.87470639
  H     14.46973744      3.26998981    -11.67251735
  O     17.17497707      6.10594306    -13.64815382
  H     13.23751512      8.77145916    -15.66364478
  H     16.03105712      1.48726256    -12.69575252
  O     13.83888550      3.94982904    -11.40763646
  H     16.19346518      8.24389810    -16.27789062
  H     15.85363337      2.92157962    -13.24460286
  O     15.95251384      2.40017647    -12.42972764
  H     16.47357512      8.41285126    -17.78761547
  H     14.60947461      4.45416773    -14.19402420
  O     15.45492661      4.11359259    -14.52026934
  H     16.78637911      7.70314613    -14.27236149
  H     15.47826762      4.35146762    -15.45919383
          69
 Energy    -250.02054214338230     
  O     13.85236581      5.34593199     -9.80219153
  H     14.20552447      6.01891271     -9.20924968
  H     17.52785371      9.07450398    -12.61888183
  O     14.66836262      8.60280116    -16.34169601
  H     14.62564469      4.93692070    -10.21113501
  H     15.41241677      8.60914178    -12.07532818
  O     18.20697475      8.60283245    -14.21032223
  H     14.23668147      8.62304781    -17.19228476
  H     14.08976614      8.47275432    -11.28809817
  O     15.88651865     11.74352799    -12.68094731
  H     13.96554615      8.56215317    -15.67162020
  H     12.32661027      5.52354707    -10.64999257
  O     18.59019342      3.62817525    -12.26781271
  H     17.63285698      7.90938003    -14.56851824
  H     10.88190736      4.99028053    -10.74901766
  O     12.20962197      5.83116278    -13.84824141
  H     19.06553458      8.19579677    -14.04259484
  H     21.40674468      7.19395353    -13.60265808
  O     17.30390255      7.14145267    -10.08158381
  H     15.98834685     11.37380174    -13.57582005
  H     20.23474721      6.77798937    -12.68034210
  O     13.45251448     11.41194843    -11.20762407
  H     16.25454974     12.62357466    -12.70611728
  H     14.73574350      6.57812808    -12.78110102
  O     18.72547391      5.03130821    -14.59520388
  H     18.60019214      4.05966152    -13.14093449
  H     15.41272779      5.21871202    -12.53819176
  O     11.33394996     10.19539511    -12.80016309
  H     18.96029716      2.75773044    -12.38632460
  H     15.75793679      9.98516474    -15.58009053
  O     12.85619291      8.44026708    -14.28239082
  H     13.14194695      5.58921762    -13.75822222
  H     17.12456606      9.98422058    -14.87498683
  O     17.05990123      9.32143292    -11.80716799
  H     11.84396071      5.73120008    -12.95960266
  H     15.95001746      6.28394118    -14.56588904
  O     14.51942807      8.24527302    -12.12088191
  H     17.26632542      7.93973263    -10.62703455
  H     15.91391150      7.25042119    -15.77435704
  O     11.47742862      5.64208228    -11.11116539
  H     16.64673566      7.25862725     -9.38383115
  H     19.38783764      5.17046852    -11.42366766
  O     20.45958907      7.09157781    -13.57514518
  H     12.73839767     11.12193937    -11.78825136
  H     18.95759995      6.45714266    -10.68632868
  O     14.95002196      5.73517147    -13.20907348
  H     14.23027774     11.54322041    -11.76363057
  H     11.10360160      7.46974881    -10.81271156
  O     16.35752883     10.54058682    -15.06904118
  H     19.38738005      5.70562669    -14.39713692
  H     11.00889452      8.93662720    -11.32627998
  O     16.49785828      6.68095175    -15.26100703
  H     17.97084064      5.49937664    -14.97369647
  H     17.05028612      4.18562675    -11.40425352
  O     19.67898011      6.06131247    -11.19210286
  H     11.79189530      9.62086004    -13.43438219
  H     16.66730917      5.52882735    -10.73136476
  O     11.04117552      8.39160965    -10.53126061
  H     10.62686410     10.62298879    -13.27762463
  H     14.55194919      8.14413573     -8.73670317
  O     16.30783149      4.68482876    -11.04272745
  H     13.48131369      8.49117554    -13.54154224
  H     15.06733539      7.61197081     -7.37842931
  O     15.12092970      7.47208177     -8.32027186
  H     12.48762767      7.54336910    -14.25080445
  H     12.58039393      8.86690653     -9.79338614
  O     13.49126008      9.16566681     -9.64811762
  H     16.74421912     10.22501467    -11.93068221
  H     13.55709548     10.04804195    -10.04139174
          69
 Energy    -250.01974234722729     
  O     18.43802535      9.23455562    -11.00868899
  H     18.98080732      8.54709941    -10.59541212
  H     18.70544107      2.65945137    -10.75635842
  O     18.88279052     11.68870514     -9.74546138
  H     18.69003183     10.09249076    -10.64387628
  H     15.02577279      6.07589651    -10.60516383
  O     12.65793704      8.98012152     -9.32034500
  H     19.30314839     12.49994825    -10.01742047
  H     15.54717876      7.12917655     -9.60308195
  O     16.77597437      8.32415611    -13.02154599
  H     17.99212268     11.92524218     -9.42575755
  H     19.62207707      4.85751571    -11.85361839
  O     19.66220193      7.11414964     -9.75439307
  H     12.85212248      8.29907103     -8.66987812
  H     20.08394060      6.24292072    -11.38029551
  O     20.37813765      7.92443667     -7.16528173
  H     12.61615562      8.53875603    -10.18340023
  H     16.32827135      9.93828128     -6.25336262
  O     17.70053449      5.20097040     -9.05260754
  H     17.31464437      7.73454380    -13.56483359
  H     16.36967590     11.16265839     -5.31148511
  O     12.85548107      7.99362866    -11.92077377
  H     17.36840095      8.68165788    -12.34383999
  H     18.95792393      6.41372084    -15.06371761
  O     16.44468051     12.18501575     -8.71431956
  H     20.03634826      7.37680080     -8.90435157
  H     19.07347178      6.22199304    -13.53305493
  O     14.63802784     10.07843086    -12.89168161
  H     18.95977453      6.47820689     -9.55727734
  H     15.60941040      9.44515562     -9.63858773
  O     14.50517202     10.78999329    -10.14177015
  H     20.00490607      8.82444034     -7.15992352
  H     17.04143889      8.90591634     -9.90358028
  O     18.50082626      3.53477674    -11.07529899
  H     21.19084840      7.95880099     -6.66829313
  H     18.43175678     10.57164269     -6.79645745
  O     15.20400499      6.22360442     -9.66709908
  H     16.79963009      5.46552069     -9.28379789
  H     19.23783298     10.84521247     -8.08216411
  O     20.01177842      5.68503873    -12.16485755
  H     17.83609445      5.46112766     -8.12920690
  H     14.08554911      6.48222720     -8.28868756
  O     16.66094614     10.84668456     -6.16320843
  H     13.30072377      8.74458155    -12.33036674
  H     13.01403947      6.13919560     -7.22939654
  O     18.45526144      6.44026737    -14.25382065
  H     13.41192512      7.23351583    -12.13277190
  H     15.46146062      5.41158454    -12.72707626
  O     16.23565864      8.74886065     -9.39912516
  H     16.40686223     11.80786504     -7.82753157
  H     15.55606592      6.94279320    -12.57008397
  O     19.26424468     10.37289345     -7.24154988
  H     15.69396732     11.81930116     -9.20341739
  H     18.85185691      6.88048571     -6.66791723
  O     13.58340442      6.84031861     -7.53645322
  H     15.40193426      9.49122855    -13.01355615
  H     17.32003156      7.00288642     -6.51155353
  O     14.98209524      6.18460698    -12.39713883
  H     14.53501985     10.56445546    -13.70641144
  H     16.12460964      8.47369254     -7.65873001
  O     18.03865226      6.36463010     -6.60306046
  H     13.76110959     10.26974956     -9.79627382
  H     15.05301639      7.81310736     -6.77394947
  O     15.89916688      8.27445797     -6.73479342
  H     14.51916839     10.67433998    -11.09958009
  H     17.31700488      3.94188818    -12.54254778
  O     16.77763774      4.29255146    -13.26180173
  H     18.21597629      4.05325709    -10.30364533
  H     17.33664670      4.93155721    -13.72112727
          69
 Energy    -250.01928456272617     
  O     11.02120852      7.69262221    -13.86638313
  H     11.67209958      7.04668028    -13.53712362
  H     17.95731285     12.87492306    -14.86872724
  O     17.48102081      9.58739315    -14.78775065
  H     10.18220493      7.24202835    -13.91072132
  H     12.22355536     12.76904256    -14.11000741
  O     16.34643275     11.42397623    -10.96342067
  H     17.91750405      9.97077029    -14.01206133
  H     10.69449637     12.92486853    -14.26435741
  O     13.76855493     13.55956147    -14.00215682
  H     16.52644691      9.72156618    -14.66602219
  H     14.15154177      9.46079127    -14.82598579
  O     14.63700281      6.31110025    -15.56231598
  H     16.19678068     12.32403310    -11.27612974
  H     14.59286867     10.07493706    -13.46464095
  O     16.70245977      6.98418368     -9.48977691
  H     15.54230272     10.92200867    -11.16801718
  H     13.63678051      6.39212670    -12.51944430
  O     16.79287442      7.03637649    -13.85113949
  H     14.46042529     13.68919816    -13.34484631
  H     13.55650233      5.90765362    -13.97450002
  O     14.19229954      9.92890001    -11.70535401
  H     14.21783123     13.25892229    -14.80456464
  H     20.85552378      8.79840509    -10.75331878
  O     17.73435222     11.78227972    -16.47319145
  H     14.06654493      7.07811153    -15.74041728
  H     19.53146398      8.16977227    -11.25252301
  O     18.58257061      6.75751555    -11.64851648
  H     14.63905739      5.78352142    -16.35747090
  H     16.74219520     13.72670188    -12.92010849
  O     14.93623067     12.17484531    -16.12906083
  H     16.63223586      6.58504178     -8.62722927
  H     16.21427655     14.78479721    -11.92482133
  O     18.04463887     13.17549777    -13.95776291
  H     16.98967422      7.90534236     -9.35369146
  H     17.77031956     10.97864758    -11.99080658
  O     11.39727602     12.27995845    -14.27594583
  H     17.13485206      7.85836156    -14.22871860
  H     19.14165955     10.24659131    -12.04756107
  O     14.81876099     10.01385887    -14.40133153
  H     16.13646007      6.70290701    -14.47545369
  H     17.17480375     10.24828378     -9.74128774
  O     13.03026085      6.01841803    -13.17409384
  H     13.23822110     10.01981589    -11.84900059
  H     18.50006590      9.45204452     -9.75529157
  O     19.94929114      9.00214930    -10.96660732
  H     14.40115292      8.98811917    -11.62411397
  H     11.94655728     11.41205809    -15.89359033
  O     16.03581728     13.91608715    -12.27689675
  H     17.72185150     10.94299660    -15.98375596
  H     13.23888909     11.47616611    -16.71843631
  O     18.53928852     10.80386789    -12.55417381
  H     18.34972027     11.67051857    -17.19334577
  H     15.50597298      7.11615514    -10.86637787
  O     17.64379161      9.51893328     -9.31502123
  H     17.96770380      6.66404316    -10.90978867
  H     15.64903800      7.24844148    -12.40901700
  O     12.40330869     10.99818284    -16.63767467
  H     18.04871793      6.72154602    -12.45212982
  H     11.46544837     10.84354134    -13.07672949
  O     15.01411193      7.28567241    -11.67966098
  H     15.85512327     12.17481409    -16.41594480
  H     11.30564342      9.31108640    -12.91428705
  O     11.59445407     10.11135744    -12.46001552
  H     14.86668815     11.45856115    -15.47649341
  H     12.19971785      8.23217200    -15.19207736
  O     12.92905309      8.46163104    -15.78289448
  H     18.39444753     12.41729378    -13.46825894
  H     12.69485098      9.29402475    -16.22160304
          69
 Energy    -250.01920012542246     
  O     10.27112159      8.41585879    -14.16076881
  H     10.84543041      9.14493748    -13.89556581
  H     14.91551526     12.29229203    -13.36548384
  O     15.48502279      8.20497766    -15.85173549
  H     10.39531199      8.30141904    -15.11158622
  H     15.84847592      8.64097338    -14.12850004
  O     18.44159034     11.07597457    -14.79851287
  H     16.10038700      8.77227200    -16.33080402
  H     16.74580911      8.43072072    -12.86481991
  O     13.05174850      9.46653869    -16.11448359
  H     14.60650596      8.59637070    -15.97549051
  H      9.71608020      5.50714032    -13.02670852
  O     14.95773981      5.14330953    -10.44807155
  H     17.74956783     11.41469540    -14.21614364
  H     10.40801102      6.79447660    -13.53671648
  O     14.71426594      5.80357285    -14.62668177
  H     18.00091098     10.80927808    -15.61361527
  H     18.22512044      8.48136898     -8.70939783
  O     13.67368253      8.64888792    -11.76055258
  H     12.78607856      9.71204757    -15.21612004
  H     16.90132264      8.41547304     -9.50486486
  O     16.91928720     10.32662249    -17.06660208
  H     12.34761758      8.92309691    -16.48698831
  H     11.56830290      5.45906879    -14.91227292
  O     16.69124598      5.33947645    -12.75954368
  H     14.24329498      5.36405144    -11.07079916
  H     13.02368776      5.49471353    -15.43480508
  O     16.42821778     11.58225637    -12.83923331
  H     14.70641660      4.32860148    -10.02014696
  H     18.19973047     10.33084666    -10.44092338
  O     19.96845021      9.64773702    -13.09056888
  H     15.46085000      5.54046438    -14.06652221
  H     19.07927071     10.66161352    -11.65203529
  O     14.06340848     12.57034575    -13.74500779
  H     15.01487625      6.56624391    -15.13768041
  H     18.15676220      7.90424310    -11.23097421
  O     15.97842280      8.90531296    -13.20908299
  H     13.38487433      7.73894850    -11.91184602
  H     18.91206366      8.22523838    -12.54212416
  O     10.55817487      5.86202482    -13.29724501
  H     14.50849570      8.74798227    -12.24639960
  H     15.21429631      6.88180822     -9.74747154
  O     17.83981739      8.66914317     -9.56111252
  H     16.15129005     10.89541445    -16.87435766
  H     14.65919406      8.25324155    -10.16649307
  O     12.09965359      5.52627375    -15.71509938
  H     17.15991930     10.48792798    -17.97512863
  H     14.50914285     12.13593893    -15.58129799
  O     18.44496795     11.04963010    -11.03702391
  H     16.24170842      5.19506204    -11.91880234
  H     14.02716069     10.98971710    -16.47989812
  O     18.23848651      7.64709046    -12.15949238
  H     17.33168579      6.04373454    -12.59582860
  H     13.66969011      5.93462578    -13.14916567
  O     15.28042984      7.82742434     -9.56304630
  H     17.07882860     11.59040326    -12.12334334
  H     12.22075396      5.86425876    -12.56970349
  O     14.67452373     11.70761800    -16.42873118
  H     16.22797383     10.64556864    -12.99344499
  H     12.82043577     11.12838352    -13.56663503
  O     13.15051448      5.96274360    -12.33109273
  H     19.47407546     10.14196790    -13.76932051
  H     12.75326970      9.75543463    -12.84786659
  O     12.35055187     10.28581261    -13.55162638
  H     20.89303118      9.74187778    -13.30234420
  H     10.53040701      7.51300530    -17.64436984
  O     11.01323204      7.73259999    -16.85274211
  H     13.91122012     13.46412571    -13.44817138
  H     11.42106706      6.90837183    -16.53015662
          69
 Energy    -250.01908076193880     
  O     15.61154959     10.26115174    -16.18921178
  H     14.81092783      9.92585320    -15.75856074
  H     14.28859973      3.58993547    -17.42990201
  O     14.07250088      6.37242949    -15.78068783
  H     15.70065712      9.77338016    -17.01401841
  H     18.86739824      4.59676025    -15.64159140
  O     18.07628052      6.56665290    -12.00227002
  H     14.96857501      6.73903628    -15.72673312
  H     19.93591097      5.60609708    -15.15363353
  O     19.22225229      5.78848469    -18.42310505
  H     13.85949445      6.04392018    -14.89388207
  H     17.76900374      8.59871615    -17.86042089
  O     16.39785617      6.03006963    -18.85328309
  H     17.58406179      7.34525905    -12.30416144
  H     18.85477503      7.48971033    -17.79260345
  O     14.27668322      7.49373939     -9.55315370
  H     18.89946245      6.56632125    -12.50483144
  H     17.00765237      6.10556795    -15.38507607
  O     13.83543855      5.63521181    -13.13058005
  H     19.90314111      5.47615408    -19.01241580
  H     17.35817710      7.45942822    -16.06739863
  O     16.63928455      8.59177910    -13.15942891
  H     19.45328512      5.47015713    -17.53133620
  H     13.42697941      8.18304680    -15.35399209
  O     17.12334678      4.23524160    -15.30559385
  H     15.92710558      5.34915114    -18.35992902
  H     13.48047371      8.91147708    -14.00281975
  O     13.29837126      4.93544917    -10.42459290
  H     17.33883047      5.83309370    -18.76267860
  H     14.74062675      3.96796921    -10.16620825
  O     19.64256166      9.15654372    -14.97510778
  H     15.16576342      7.09713648     -9.52535844
  H     15.53713850      2.75917082     -9.61575300
  O     14.96826320      4.20152176    -17.15884823
  H     14.15582217      7.95582198     -8.72791856
  H     21.20200681      6.90252406    -13.45005487
  O     19.70073312      5.02519319    -15.88615916
  H     14.71107982      5.24687431    -12.99370422
  H     20.06831790      7.69023784    -14.14397696
  O     18.52006615      8.27785640    -17.34509009
  H     13.88030860      6.55575559    -12.82827006
  H     16.98726178      5.18419986    -12.44844549
  O     16.76707138      7.03946545    -15.43210755
  H     16.93649781      9.47419807    -13.41068625
  H     16.17232596      4.00988780    -11.84537725
  O     13.42961719      9.06118212    -14.95491317
  H     16.64962524      8.06159865    -13.97227880
  H     17.28381797      6.36483406    -10.30621953
  O     15.62660918      3.56570127    -10.11537489
  H     16.38988114      4.05473069    -15.90549899
  H     16.44180564      5.26075379     -9.63638298
  O     20.29244537      6.83656012    -13.73095747
  H     16.80625959      4.15567873    -14.39442324
  H     14.06571402      8.13126660    -11.30757291
  O     16.36453386      4.47539339    -12.66844373
  H     13.25445695      5.07714456    -11.37940630
  H     14.98378441      8.44378203    -12.52102368
  O     16.67290880      6.19590894     -9.57702138
  H     13.46821944      5.80613666    -10.04295346
  H     16.83293021     10.74691860    -15.07386038
  O     14.06651503      8.26178471    -12.26346698
  H     19.36658292      8.91247351    -15.87044946
  H     17.44593188     11.88247863    -14.21961002
  O     17.48857407     10.94396915    -14.37841979
  H     19.02243459      9.84128169    -14.70006667
  H     15.74662343      9.08484621    -19.43891530
  O     16.06714071      8.73377027    -18.61188998
  H     14.51959152      4.94808833    -16.72422436
  H     16.08148565      7.76541574    -18.71044329
          69
 Energy    -250.01877578040296     
  O     -5.92745599      0.48682910     -0.24364227
  H     -5.44898998      1.32104480     -0.35548128
  H     -0.74041306     -1.15997962      4.02849113
  O     -5.18202893      1.09285606     -4.52244204
  H     -6.05860383      0.36293795      0.70527458
  H     -1.84123427      3.79121129      2.44456302
  O     -5.98214643      0.19512735      2.54590398
  H     -4.64912674      0.33896676     -4.80206790
  H     -1.30504216      4.67867966      1.28816461
  O      0.26338396     -0.56254815      1.07018118
  H     -5.86673924      0.72840222     -3.94781492
  H     -3.57213130      2.37397087     -0.24131551
  O     -1.67828783     -1.02719369     -0.90465319
  H     -5.60735316      1.05427002      2.81185856
  H     -4.56378290      3.52764357      0.08984158
  O     -3.46959735     -1.22164826     -4.87406201
  H     -6.67423619     -0.00868440      3.16939675
  H      0.42625778      5.54428145     -0.25781599
  O     -4.25488844     -1.80609234     -0.33191019
  H      0.56114627      0.30526820      0.77184259
  H     -0.48577553      4.55949101     -1.02618134
  O     -1.79663555      0.38031787     -3.32765294
  H     -0.31482929     -0.89089825      0.36663764
  H     -5.83846633     -1.66525041     -2.93713104
  O     -3.42366276      2.63907589     -3.08329097
  H     -2.55141514     -1.41644734     -0.75632246
  H     -4.75539592     -2.31554264     -2.06075697
  O      0.63824116      2.02511674     -0.16565794
  H     -1.68715072     -0.62538842     -1.78303707
  H     -1.75152291      1.13787011      3.27252598
  O      0.60840511      1.63592508     -2.97201634
  H     -3.40233214     -1.81596455     -5.61613228
  H     -2.16056596      1.78877269      1.94760633
  O     -1.20650645     -0.66293532      3.36149594
  H     -4.01322201     -1.67149853     -4.20172185
  H     -4.43637881     -0.99031939      2.54636312
  O     -1.95956704      4.63876957      1.99596898
  H     -4.05443847     -1.92719713      0.60882097
  H     -2.92429569     -1.29473891      2.72830144
  O     -4.41456465      2.78131241     -0.50206959
  H     -4.80531380     -1.01310634     -0.37840022
  H     -2.09517532      0.58884174     -0.10551380
  O     -0.09300818      4.75054626     -0.15531389
  H     -2.27475910     -0.20365533     -3.93000983
  H     -1.19138892      1.81843485      0.03292711
  O     -5.07966731     -2.26153919     -2.96975404
  H     -2.35742866      1.15715439     -3.18406050
  H     -4.93393646      5.68195449      1.52321271
  O     -2.10037107      1.95590556      2.90053179
  H     -3.84965783      2.76606861     -2.22455262
  H     -3.64773132      4.82833687      1.64589011
  O     -3.74159530     -1.62765965      2.34065088
  H     -4.08144633      2.23362414     -3.66696499
  H     -7.95404302     -0.14280520     -2.66583918
  O     -2.09982088      1.51684796      0.16124169
  H      0.57769005      2.98299458     -0.05817173
  H     -6.70011140      0.08975111     -1.79326080
  O     -4.60128689      4.79231120      1.44581689
  H      0.74046464      1.85832013     -1.11286580
  H     -4.89634259      3.33479044      2.67333455
  O     -7.00057209     -0.16504682     -2.68194223
  H     -0.19077181      1.11421561     -3.15812964
  H     -3.87173737      2.33129356      3.23256991
  O     -4.81868825      2.52780486      3.19418788
  H      1.26593024      1.36895417     -3.60916604
  H     -0.38499697      3.30078524     -2.85679462
  O     -1.00456430      3.99213314     -2.59494789
  H     -0.63816487     -0.65858225      2.57046610
  H     -1.88109692      3.65969527     -2.83030671
          69
 Energy    -250.01869147117569     
  O     13.96232702     14.01898569    -14.28236436
  H     13.55016170     13.64671688    -15.07010478
  H     14.36090657     10.79313058    -14.51032503
  O     15.52670470      8.73923895    -17.68442641
  H     14.90617337     14.05488754    -14.48492423
  H     15.36368742     10.63125448    -17.80712018
  O     15.35386474      8.82154597    -11.51731365
  H     15.49413705      8.13511516    -18.42206028
  H     16.12439411     11.97075354    -17.64415615
  O     18.16003852     14.35589330    -12.45940021
  H     14.86654043      8.43289341    -17.03952712
  H     12.39608135     12.85309943    -17.27096632
  O     13.88999891      8.03378740    -15.60074495
  H     16.08018428      9.44492811    -11.38402725
  H     13.82081924     12.28242895    -17.06907873
  O     13.87982452      6.59980981    -10.68345510
  H     14.55447602      9.34541387    -11.66984842
  H     19.18511167     12.66368166    -12.79123033
  O     14.51299121      5.01337540    -12.79448797
  H     18.56383290     15.16347404    -12.15101926
  H     19.44612630     11.48971069    -13.76922020
  O     16.09118744     11.00394086    -14.12403497
  H     17.54095605     14.07186745    -11.76726958
  H     13.57858744     11.99725735    -11.76079858
  O     12.97434391     10.20134138    -12.04428474
  H     13.62106076      8.92475404    -15.32891550
  H     13.89756904     13.25748520    -12.62224494
  O     15.87383536      7.28664222    -13.77498122
  H     14.57382420      7.75130266    -14.97501526
  H     16.85550425      8.82555289    -16.33737248
  O     19.27732144     10.97996186    -15.51796015
  H     13.00524752      6.96716538    -10.86025920
  H     17.00541002      8.24277606    -14.90715090
  O     13.43709951     10.58478487    -14.72473888
  H     14.49371227      7.34009854    -10.79476503
  H     12.96134754      5.79487807    -13.63673131
  O     15.24851059     11.58813261    -17.77716013
  H     14.70743859      4.11308594    -12.54963097
  H     12.67438799      6.92213993    -14.64391250
  O     13.02644097     12.60032533    -16.60243515
  H     14.30700175      5.49196495    -11.97049920
  H     16.19374715     13.58853914     -9.66315482
  O     19.41252903     11.72901754    -12.83093095
  H     16.40136076     10.94334825    -13.21121785
  H     15.48122287     13.22874654    -10.99072544
  O     14.02584992     12.85051592    -11.75274938
  H     16.58114693     10.34888744    -14.63781520
  H     16.50415310     12.70185700    -14.53493867
  O     17.35340967      8.91016863    -15.51469079
  H     13.00621945     10.33127793    -13.00438575
  H     17.25400802     13.96268133    -14.02020571
  O     12.27061252      6.39672671    -13.94176191
  H     12.36883392      9.46762009    -11.88173674
  H     16.92124554     11.64679711    -11.08407381
  O     16.35376703     13.38080369    -10.57950342
  H     15.56479086      6.40775375    -13.52446485
  H     18.06595839     11.02586397    -11.93203022
  O     16.72953436     13.62051474    -14.75418946
  H     15.73901526      7.85140908    -12.99908222
  H     10.57182204      7.64007450    -11.54521990
  O     17.19873691     10.84235796    -11.53706675
  H     18.84966863     11.57041888    -16.14799145
  H     11.69541710      7.32191264    -12.55902900
  O     11.48788253      7.81420428    -11.74490551
  H     18.77369459     10.15596149    -15.55161811
  H     17.40106703     13.22472752    -16.33634292
  O     17.73429310     12.82273308    -17.15770732
  H     13.13676365     11.25946045    -15.34434623
  H     18.14825197     13.52167484    -17.65828504
          69
 Energy    -250.01817792954404     
  O     -5.62916658      0.56791168     -0.93316838
  H     -6.06574384      0.37358629     -0.09359308
  H     -2.33508446     -0.08256844      3.37633697
  O     -5.28148899      0.49624195     -3.67786918
  H     -5.21420939      1.43609489     -0.82404914
  H      0.16272812      2.76880004      3.08631397
  O     -6.50617252      0.19021850      1.68177907
  H     -6.10121977      0.48562306     -4.16594415
  H      0.18449509      3.59466826      4.39318126
  O      0.17839119     -1.11858098      1.94813169
  H     -5.51849297      0.46596005     -2.73547720
  H     -1.38230945      4.54974891      2.51021358
  O     -1.17428119     -0.60154828     -0.43670881
  H     -7.32649885      0.05966084      2.14986735
  H     -1.34897526      4.82730976      1.00256737
  O     -3.31777573     -1.63308203     -3.54265961
  H     -6.08422509      0.97801584      2.07030218
  H     -3.48483529      2.50191509     -0.25110777
  O     -3.73874580     -1.55932888     -0.80562934
  H      0.69973283     -1.86082455      2.24059206
  H     -4.47377731      3.67699276     -0.11110004
  O     -1.18726513      0.22617529     -3.06091918
  H     -0.64866614     -1.13173778      2.46666386
  H      1.64877704      2.25318604     -1.36681166
  O     -3.17744535      2.32569574     -3.15165993
  H     -2.03872093     -1.03997905     -0.43987184
  H      2.86034159      2.77356764     -0.56357355
  O      1.00355599      1.62238466      2.06728581
  H     -0.67161024     -0.90273144      0.32956536
  H      0.43599035      3.62993541     -0.37796613
  O      0.95360938      2.02542469     -2.95597224
  H     -4.01103717     -0.99639287     -3.75432644
  H     -0.66999659      4.12839430     -1.34560382
  O     -2.15118287     -1.02212597      3.24785763
  H     -2.49341242     -1.12917451     -3.55483166
  H     -2.42653856      1.74977503      2.21489714
  O     -0.35578543      3.38338354      3.63676523
  H     -4.36052479     -0.81978650     -0.80634941
  H     -1.89620377      2.30167067      3.54748897
  O     -1.85626853      5.00733910      1.80543773
  H     -3.60356047     -1.79092072     -1.73551528
  H     -5.16564193     -1.20945997      1.92300826
  O     -4.23279139      2.94379644     -0.68760509
  H     -1.10049430     -0.09797717     -2.15064277
  H     -4.19658420     -1.94775255      0.98678970
  O      1.94250322      2.52702803     -0.47988867
  H     -1.85129296      0.92728798     -3.04469796
  H     -1.69450662      1.01017295      0.12968353
  O     -0.44951302      4.01427314     -0.41283763
  H     -3.86084629      1.76577422     -3.53848465
  H     -1.42321790      2.55123123      0.20802342
  O     -2.58519233      1.74229957      3.17177740
  H     -3.54429407      2.64093167     -2.31126722
  H     -3.58932291      4.90843025      1.56262644
  O     -4.43974159     -1.84353473      1.91596240
  H      1.36528728      1.84055507      1.20050996
  H     -4.92549602      5.68214115      1.51810337
  O     -2.04742201      1.85281952      0.44288020
  H      0.76369774      0.68795272      2.04068061
  H     -4.36475938      2.11149912      3.01129637
  O     -4.53920831      4.82448524      1.36328009
  H      0.35801805      1.27363981     -3.07870650
  H     -5.13257969      3.22534149      2.28872674
  O     -5.24544868      2.35943958      2.69504091
  H      0.41946725      2.79783970     -3.17491493
  H     -1.18259940      4.79362943     -3.81269619
  O     -1.05428593      4.08091754     -3.19160093
  H     -2.95044203     -1.39776162      2.85183879
  H     -1.82138659      3.49154812     -3.28168247
          69
 Energy    -250.01815158548632     
  O     11.22324153     10.23336516    -10.64291634
  H     11.24626076     10.97777482    -11.26074420
  H     14.98672072     13.28975590    -15.10579568
  O     15.02429034     10.37085318    -12.81614306
  H     12.02853474     10.28023942    -10.11522894
  H     16.84410137     12.02844540    -16.25831017
  O     17.55810353     13.55136696    -13.56931186
  H     15.95025063     10.22340054    -12.57854600
  H     18.24480531     12.46598245    -16.73844399
  O     16.38704625      7.22183335    -12.60207687
  H     14.75469935     11.24807743    -12.52030860
  H     14.98750684     11.37810886     -9.62751726
  O     11.47211651     12.02326953    -12.78318204
  H     17.80220525     12.95730244    -14.28877709
  H     14.94615552     12.56926479    -10.59584944
  O     12.63200575     14.88284859    -15.62261491
  H     17.74342220     13.09175070    -12.74225490
  H     17.74489267      8.87669337    -15.13722540
  O     15.06180469     11.99030668    -16.44605346
  H     16.93366516      7.96760951    -12.31633180
  H     18.19762901     10.35081782    -15.30564058
  O     14.01199520     12.88207706    -12.11985660
  H     15.54038475      7.33528921    -12.15271049
  H     18.59544234     12.62260569    -10.41858225
  O     14.43411648      9.55057630    -15.31525312
  H     11.61798706     11.30414806    -13.41404487
  H     17.11188414     12.21584497    -10.57616205
  O     13.78965732      9.88318419     -9.30833947
  H     11.01001293     12.72260491    -13.26191898
  H     11.55299511      9.17478558    -13.91999341
  O     10.80558287     11.80279618    -16.36066805
  H     12.72170279     14.38253387    -16.44260359
  H     12.66182791      9.67247504    -14.89383686
  O     15.00803389     13.99367935    -14.44359003
  H     13.46556221     14.76010262    -15.14796837
  H     16.35903237      7.32866142    -14.35456441
  O     17.78837926     12.01421026    -16.03223673
  H     14.34008610     12.31067710    -17.00139246
  H     16.54599974      6.68276829    -15.74665619
  O     15.49755800     12.13943659     -9.92503414
  H     14.81195962     11.11173150    -16.12535183
  H     12.54871638     13.06734955    -18.68620105
  O     18.36448973      9.53920719    -14.80970887
  H     13.08938181     12.65051758    -12.29003082
  H     12.07392858     12.49765211    -17.32787135
  O     17.97464208     12.23258814    -11.02844184
  H     14.33324057     13.36385149    -12.89401158
  H     10.55055265      7.52282334    -12.21748334
  O     11.77238948      9.86015477    -14.56277446
  H     14.65702465      9.88067158    -14.42813562
  H     11.15528572      8.85615240    -11.70986864
  O     16.35539203      7.50967632    -15.31206166
  H     15.01107061      8.79289924    -15.46752852
  H     17.92264309     10.52131340    -11.74560943
  O     12.80503899     12.96252149    -17.77400301
  H     13.91173769      9.20729643     -9.99471737
  H     18.03245315      9.70058069    -13.07807566
  O     11.25991461      8.14224360    -12.36597681
  H     13.81506831      9.42566352     -8.47055904
  H      9.70387155     14.62131446    -14.41372187
  O     17.64571077      9.71018014    -12.18729031
  H     10.49101086     12.48552695    -15.75519020
  H     11.16537869     14.35351338    -14.84948161
  O     10.36312984     13.93681343    -14.48542304
  H     11.04097860     11.04324805    -15.81143872
  H     14.29056288      8.96448234    -12.00455380
  O     13.96105720      8.19677653    -11.50874084
  H     15.91528438     14.01211346    -14.10343781
  H     13.06936772      8.02145711    -11.83141358
          69
 Energy    -250.01770150579995     
  O     12.79431399      9.82176223    -11.47890686
  H     12.41304399     10.59824735    -11.90667843
  H     14.14972453      8.87971886    -12.18536397
  O     13.07593572      6.87863586    -14.01964652
  H     12.06687047      9.29238478    -11.12852720
  H     13.95415792     14.38470356     -8.29199382
  O     11.60375938     12.17583635    -12.42925876
  H     12.51954279      6.59713769    -13.28284932
  H     13.50592482     14.82147907     -6.87674072
  O     14.42169717     10.52245535     -9.40818040
  H     12.65853281      7.66228449    -14.40203605
  H     10.92437637     12.11198128     -9.32584042
  O     14.20914638      6.66998670    -10.31438633
  H     12.38422621     12.72091354    -12.58568160
  H      9.72191738     11.72378402    -10.24657333
  O     13.36656207     15.83893638    -11.52541993
  H     11.21717603     12.41981871    -11.57798805
  H     11.74950202      9.93734380     -7.78169697
  O      8.80278747     10.24537050    -11.12408758
  H     13.84107501     10.26392415    -10.14261869
  H     12.54628719      8.61805412     -7.79401554
  O     13.97661463     13.47924895    -12.90123618
  H     14.55997002      9.72985948     -8.87565149
  H     14.32263949      7.51302157     -8.81068743
  O     15.08649286     14.55043652     -9.61840082
  H     13.37737252      6.34534478    -10.67870347
  H     14.91667406      7.62224413     -7.38569008
  O     10.69885850      8.34630747    -10.33764481
  H     14.62277546      7.16454818    -11.03380762
  H     16.16276736     11.64400758    -11.77930237
  O     11.44514868     15.03199546     -9.77957895
  H     13.23891519     16.75424257    -11.75910719
  H     15.36496500     11.64748117    -10.45457587
  O     14.85644067      8.30807800    -12.52452111
  H     12.61579117     15.58577858    -10.95871905
  H     12.04631502      9.35840482    -16.08587515
  O     13.22565408     14.33462759     -7.64694064
  H      7.85092297     10.22080761    -11.17622953
  H     12.83232351      9.97701538    -14.91616353
  O     10.30919216     12.44583605     -9.99572863
  H      9.13518546     10.23750463    -12.04093806
  H     10.46155801     11.11653912    -13.29806552
  O     11.65372368      8.97982203     -7.86491204
  H     14.59726931     13.06825116    -12.28203282
  H     10.55724884      9.84024136    -14.12629828
  O     14.36958172      8.07885333     -8.01860939
  H     13.79821391     14.36698996    -12.56630780
  H     14.01580779     12.02915447    -14.18529903
  O     15.75660244     12.22645648    -11.12540605
  H     14.63422587     15.08191085    -10.28560748
  H     14.98561496     10.84778975    -14.20686805
  O     12.13550843      9.33478712    -15.13536330
  H     15.47116925     13.80107144    -10.08977146
  H     16.03654517      9.54332793    -12.88433522
  O      9.94814397     10.33992638    -13.57229632
  H      9.95893343      8.92775334    -10.54979104
  H     17.36163536     10.06579530    -13.48881404
  O     14.13959638     11.14779352    -14.55798808
  H     10.96288619      8.51604599     -9.41959658
  H     11.11201604      5.37509799    -11.47476655
  O     16.53267851     10.34964414    -13.11224512
  H     11.95149993     14.88564621     -8.97025508
  H     11.25805746      6.87815444    -11.14953473
  O     11.69153772      6.12499013    -11.58519354
  H     10.88781782     14.25048603     -9.88179215
  H     13.04883795     11.36574901     -8.56485642
  O     12.26594587     11.74101913     -8.13607038
  H     14.41887827      7.71677120    -13.15438931
  H     12.53525970     12.61135212     -7.81773330
          69
 Energy    -250.01721821758349     
  O     17.92848951     10.92449982    -16.65046621
  H     18.42455749     10.17514841    -17.01066790
  H     13.60984049      6.25501122    -16.81229514
  O     13.00493808      7.35121278    -15.61759411
  H     18.29151180     11.06244166    -15.76874340
  H     17.98288584      4.82087901    -16.24809623
  O     18.29750488      6.48460081    -12.31396559
  H     13.22402352      7.01642259    -14.73546228
  H     18.85600455      5.40783944    -17.36224912
  O     18.42687853      6.39509135    -18.98492080
  H     13.09652902      8.30674050    -15.55660986
  H     19.05078655      7.82885470    -17.94641234
  O     15.88179160      7.33252648    -18.73160571
  H     19.00925547      6.23923754    -12.91747766
  H     18.41205806      8.10210425    -16.57890224
  O     14.95415594      8.65117616     -9.85237123
  H     18.03878951      7.39131025    -12.54059716
  H     17.12359249      8.11936780    -14.67283050
  O     13.89767827      6.64220991    -13.09661716
  H     17.50645204      6.71076650    -18.92953305
  H     16.37822274      8.29448974    -16.02919416
  O     17.40015702      8.94972402    -13.08701933
  H     18.58024769      6.16154551    -19.89611156
  H     13.99861382      9.93870440    -14.12749452
  O     16.20516864      5.07113804    -15.72788138
  H     15.22198417      6.72510249    -18.37507923
  H     13.00579784     10.83658008    -14.89381455
  O     13.22241053      6.38135987    -10.44582463
  H     15.72368999      8.18034772    -18.29652783
  H     15.52969651      4.42386959    -11.36324849
  O     20.59032323      8.67846833    -14.88624947
  H     15.68217653      8.00373456     -9.85401401
  H     15.29395502      3.43190229    -10.20202666
  O     14.01487329      5.61722659    -17.42801450
  H     15.00309087      9.11380067     -9.01999782
  H     19.77625628      5.58562046    -15.08062545
  O     18.90211989      4.99308797    -16.49304951
  H     13.48579860      6.52918556    -12.22770985
  H     20.98327932      5.31549467    -14.15949263
  O     19.09265495      8.42418982    -17.19045224
  H     14.66261010      6.05417558    -13.12102756
  H     16.88902193      5.42810926    -12.75871908
  O     16.94173748      7.69525926    -15.52009660
  H     17.92873393      9.72384515    -13.31926706
  H     16.12859618      4.77830972    -13.94970124
  O     13.64283657     10.13511270    -15.00869287
  H     16.49303850      9.21674172    -12.89310462
  H     17.48202675      6.62424019    -10.61852357
  O     15.26132585      4.35713459    -10.43083079
  H     16.48064672      6.00114767    -15.65253716
  H     16.35648443      5.84632837     -9.91661126
  O     20.22988172      5.88964627    -14.27495519
  H     15.45097264      5.06945357    -16.32753565
  H     14.71596597      9.23087207    -11.61679466
  O     16.10918482      4.90295498    -12.99082138
  H     13.68808330      7.16228568    -10.12243411
  H     14.42764052      8.33808257    -12.83539403
  O     16.83536710      6.68441328     -9.90353288
  H     13.82028678      5.63598062    -10.30107370
  H     19.76714861     11.51666006    -13.67633686
  O     14.67863388      9.24075729    -12.58187632
  H     20.24898481      8.62860414    -15.79148933
  H     19.76829401     10.09562604    -14.28973854
  O     19.19502083     10.84058596    -14.02888671
  H     20.56125876      7.77102501    -14.56362250
  H     14.87513241      9.88245618    -16.41118196
  O     15.55699253      9.58614339    -17.02483558
  H     13.29971966      5.12283809    -17.81892993
  H     16.31343175     10.18738619    -16.93530827
          69
 Energy    -250.01706509059085     
  O     -6.28773298      2.06577657     -0.94862510
  H     -5.65512007      2.54249345     -0.38826374
  H     -2.64032796      0.20338921      4.44620184
  O     -7.37168693      1.04987445      1.47562632
  H     -6.12523421      2.37760058     -1.84579122
  H     -1.32157169      2.96738906      2.98338957
  O     -2.31377986     -2.84530928      1.32978392
  H     -7.32232211      0.09699275      1.33271625
  H     -1.72466816      2.16037978      4.21997581
  O     -2.94680302     -1.07379396     -0.63616864
  H     -7.17542915      1.45792317      0.62335180
  H     -4.35564395      3.73189077      1.32480168
  O     -4.47854476      0.10493522     -3.78090027
  H     -2.49907513     -2.27316566      0.56446559
  H     -3.87345072      2.39791068      0.73327531
  O     -5.60228832     -0.63915072     -1.23826971
  H     -2.04814993     -3.69288557      0.98092815
  H      2.02352289      0.13671219      1.08226244
  O     -2.07186475      0.68782458     -2.56890053
  H     -2.49806410     -0.54914143     -1.31233053
  H      0.57920597     -0.27301677      1.44283453
  O     -2.87982046      3.33033734     -1.86544067
  H     -3.89484725     -1.00821782     -0.82549928
  H     -0.51365598      3.03453831      0.54137146
  O     -0.43053297     -1.09405783      2.56673130
  H     -4.79379655      1.01701283     -3.81525247
  H      0.07414117      1.76767570      1.20812137
  O      0.55996237      1.27842893     -1.79885729
  H     -4.95399917     -0.30641057     -3.04772731
  H     -3.78517715      0.53985261      2.77208554
  O     -4.85298953     -2.22284282      2.48972191
  H     -5.82535648      0.29631339     -1.12808449
  H     -4.92624634      0.84565018      3.78341871
  O     -1.71326921      0.24717734      4.73794160
  H     -6.13938705     -1.12062776     -0.59698441
  H     -6.24706008     -1.96477526      1.50284022
  O     -1.83437136      3.02025244      3.80037469
  H     -2.79170427      0.38665490     -3.14279269
  H     -7.64866057     -2.43264160      1.03998392
  O     -4.27913351      3.24483694      0.49298732
  H     -2.32761464      1.57393943     -2.27975080
  H     -2.12500510      1.42278515      1.29685174
  O      1.11173911      0.27347279      0.83721582
  H     -3.35238667      3.40257684     -1.02172269
  H     -2.91607020      0.25311662      0.61297621
  O     -0.60353058      2.45009850      1.30293526
  H     -1.98108863      3.64434694     -1.70923809
  H     -3.49951071      3.75696181      3.41349148
  O     -4.18976671      0.24819741      3.60538026
  H     -0.82565604     -0.65592664      3.33041376
  H     -5.01941669      3.45243914      3.40760360
  O     -7.00009353     -1.74348853      0.92563202
  H     -1.07755855     -1.73002816      2.23927610
  H     -4.30781963      3.12536486     -2.96512768
  O     -2.97961995      0.97242726      1.25180935
  H      0.74526814      0.79938621     -0.98182069
  H     -5.30069273      3.59251194     -4.05216205
  O     -4.35402929      4.06794559      3.07934997
  H     -0.26109233      0.91668192     -2.16085076
  H     -6.72755494      1.72678690      2.94943477
  O     -5.13143797      2.89301199     -3.42582718
  H     -4.00355022     -2.54094913      2.16382523
  H     -7.02715503      2.23203402      4.37878137
  O     -6.31507485      2.03930871      3.77461194
  H     -4.66312838     -1.41221201      2.98222809
  H      0.45236364      4.46443923     -1.39311405
  O     -0.20011043      3.80222182     -1.18237783
  H     -1.70494390      0.00953013      5.66197580
  H      0.16059229      2.94301140     -1.46917404
          69
 Energy    -250.01693201649104     
  O     12.21451964      9.37993244    -10.77996728
  H     12.56797618      8.70933928    -10.18572123
  H     15.10855255      7.00417394    -15.31240745
  O     13.77190264      4.16684623    -15.12139848
  H     12.91730753     10.03173273    -10.89973150
  H     14.87293615      4.18675155    -12.17576583
  O     14.56247674     11.62257074    -14.01547608
  H     13.44643218      3.36658892    -15.52443636
  H     16.13494243      4.17836605    -13.06707935
  O     15.57605635      8.82754869     -8.40625050
  H     14.30238997      3.89759969    -14.34996231
  H     14.15894463      7.89786661     -8.79478415
  O     18.41933539     10.33241550    -10.30251898
  H     13.72025307     11.28372042    -14.34277552
  H     12.87950331      7.22897331     -8.24366806
  O     11.06364479      8.59209656    -13.13801740
  H     14.50942804     11.57224150    -13.05160333
  H     20.26619641      7.34127875    -14.74574433
  O     16.87527451     10.85317621    -15.21661728
  H     15.69205053      9.76938915     -8.57862195
  H     18.81497698      7.73667625    -15.12050167
  O     14.48256139     10.99161404    -11.28188453
  H     16.44115014      8.42804160     -8.55580254
  H     11.76647586      9.68614258    -14.27572237
  O     16.62056439      6.42474650    -11.10548326
  H     18.42461186      9.43816473     -9.93749565
  H     11.69833864     10.39488802    -15.64785499
  O     17.58539390      8.22987062    -16.23313723
  H     18.50347652     10.23498402    -11.25941460
  H     12.82907416      5.47933429    -14.05204600
  O     17.39314663      5.61239294    -13.61844265
  H     11.34177075      7.67334606    -13.21626322
  H     13.17261662      6.95186328    -13.75664906
  O     15.61506291      6.26839016    -15.69455948
  H     11.38155280      8.89195780    -12.27086825
  H     14.78187992      8.54052552    -13.71144072
  O     15.29814017      3.72454762    -12.90969885
  H     17.12812692     11.57600308    -15.78615668
  H     13.63690007      8.95464395    -14.69715672
  O     13.37451501      7.37869188     -9.04568728
  H     16.03729500     11.11789084    -14.79819799
  H     13.46943928      5.80833096    -11.85276066
  O     19.39700316      7.48202800    -14.37972290
  H     15.00522857     11.32736611    -10.54450444
  H     13.71584209      6.11261094    -10.35013768
  O     12.28296147     10.20523909    -14.91948849
  H     14.93825238     10.19016650    -11.58461585
  H     18.65660904      7.11279616     -8.74777779
  O     12.64603238      6.20190469    -13.44069165
  H     15.72075510      6.07983663    -11.01646357
  H     17.60740203      7.18612208     -9.88224712
  O     14.24377625      8.24452645    -14.45935703
  H     16.95824649      6.12959029    -11.96303939
  H     17.06430419     11.16650999     -9.58263246
  O     14.01509067      5.56775970    -11.09002693
  H     16.88380540      7.56537419    -16.23365096
  H     16.51046651     12.25206273     -8.62837677
  O     18.08047409      7.71259203     -9.21450737
  H     17.18725889      9.07027224    -15.97557087
  H     16.02125296      8.01808549    -11.80383890
  O     16.25278536     11.50754747     -9.16475784
  H     16.77511106      5.82248976    -14.33376741
  H     16.71625488      9.17631895    -12.55407938
  O     15.85205984      8.82778222    -12.29860602
  H     18.19123159      6.12029304    -13.80679694
  H     17.94987233     10.25104652    -13.82330767
  O     18.35164435      9.78084669    -13.07949887
  H     15.01389990      5.51533972    -15.71153524
  H     18.80810298      9.01154703    -13.44329876
          69
 Energy    -250.01687791708082     
  O     10.77490366      9.97597760    -11.64859093
  H     11.53773643     10.54849774    -11.79585179
  H     18.90481818      7.43206585    -17.43298701
  O     13.97812256      7.99882074    -15.43052361
  H     10.39047523      9.81624661    -12.52037458
  H     15.66643455     13.69588156    -13.15098370
  O     17.20052285      8.35974054    -10.54277384
  H     14.71550100      8.40645703    -14.94719909
  H     16.23019779     12.28757258    -13.43488665
  O     18.28484935     10.71825258    -16.30402834
  H     13.72355302      7.23460910    -14.89826881
  H     16.48560812      9.79551567    -13.96204516
  O     12.41658738     10.22160471    -15.00042066
  H     16.95940605      7.43082087    -10.44467548
  H     16.67287903      8.25840187    -13.93185907
  O     16.03549212      5.74177226    -10.42417773
  H     16.36717176      8.82138068    -10.70703526
  H     10.18479636      7.37222629     -9.94451638
  O     13.54259203      5.97686483    -13.54871624
  H     17.54167982     10.92462950    -16.88613859
  H     10.83470120      8.39872605    -10.90279571
  O     14.73054633      9.27557047    -11.50645686
  H     18.47506417      9.78379541    -16.44966972
  H     16.25027865      5.35270199    -12.30778915
  O     15.94027375     11.08424522    -17.86141086
  H     11.50446486      9.94084688    -14.86212325
  H     16.95318602      5.83634408    -13.58463484
  O     17.63639560     11.22809091    -13.72139302
  H     12.92101621      9.42124245    -15.21040416
  H     10.75950698      6.82000036    -12.43554861
  O     15.86715374      8.25899936    -17.51223578
  H     15.12111244      6.06547838    -10.49530959
  H     11.66843772      6.33146606    -13.58292233
  O     18.42968336      7.87971076    -16.73798941
  H     16.03220440      5.06027942     -9.75652415
  H     19.92551752      9.34087248    -11.81362780
  O     15.40915451     12.80380788    -13.37212567
  H     13.48878819      6.30085799    -12.63967628
  H     18.44646388      8.93855077    -11.59884446
  O     16.00808076      8.95932810    -13.91228115
  H     14.43936812      5.61813352    -13.62243210
  H     18.36299785      7.40128883    -14.97357575
  O     10.85865626      7.46911019    -10.61174057
  H     15.16967489      9.08089890    -12.34884278
  H     18.65374736      7.83921232    -13.49975525
  O     16.21223889      5.30325733    -13.27076520
  H     14.13352518     10.00973465    -11.69194532
  H     14.67452324     12.38836021    -15.10504725
  O     10.80354033      6.71688717    -13.39442422
  H     15.78924895     11.57929689    -18.66206316
  H     13.57161370     11.48036475    -15.69471978
  O     19.08905319      9.25050508    -12.26248640
  H     15.34092574     11.45282862    -17.18798252
  H     12.64382379      7.01342692    -10.64314739
  O     18.16743423      7.20884670    -14.04547539
  H     18.19858065     10.66751434    -13.17286796
  H     13.94062836      7.77068536    -11.04219119
  O     14.32150997     12.04283769    -15.93216808
  H     17.94487243     11.14364165    -14.63900940
  H     12.89105970     10.91833151    -13.37791594
  O     13.57594402      6.89039209    -10.85740787
  H     15.81152220      9.20372248    -17.70636067
  H     13.85911638     11.91588973    -12.70324891
  O     13.13601740     11.30355355    -12.52243051
  H     15.13027576      8.06039695    -16.92060396
  H      9.09224100      9.06042532    -14.68397157
  O      9.94238595      9.14245293    -14.26081269
  H     17.50104069      7.94158967    -17.02893174
  H     10.23323187      8.24020408    -14.03502482
          69
 Energy    -250.01638021429630     
  O     11.70222848      2.74235822    -10.37269061
  H     11.26204068      2.01846899     -9.93333539
  H     15.97512049      5.68229114    -15.50653372
  O     17.89017363      4.34534082    -12.56532165
  H     12.06483876      3.30994750     -9.67048963
  H     11.48539936      8.65357051    -13.33454715
  O     14.69799342      8.27690019    -11.70948316
  H     17.42253914      4.54000938    -13.38864516
  H     10.32022442      7.64295960    -13.38759446
  O     15.62641887      9.09320841    -15.57235056
  H     17.40906640      3.63085645    -12.13186265
  H     14.33976004      5.21605655    -10.80719257
  O     18.62950700      6.73651739    -11.56969768
  H     14.43830538      7.34231640    -11.65946214
  H     13.83238923      5.21451526    -12.28488567
  O     15.35629179      4.35461544     -9.54118526
  H     14.74765139      8.58201046    -10.79785867
  H     13.12477352      2.34876296    -11.56617211
  O     16.39796655      2.34162093    -11.20427530
  H     16.11430925      9.81439800    -15.96230729
  H     13.81581723      2.85137505    -12.85786303
  O     13.25206133      8.74738809    -14.04085627
  H     16.17462995      8.74402506    -14.84997968
  H     14.05812027      8.10087160     -8.60399662
  O     14.91580941      6.52858267    -16.73041264
  H     19.57516841      6.76087965    -11.44954303
  H     14.97073968      9.30967994     -8.31235203
  O     12.83671438      4.32408112     -8.45051487
  H     18.41078437      5.83884657    -11.88325219
  H     12.04128283      7.19202064     -9.03392163
  O     16.86139420      7.94050831    -13.37387861
  H     15.80427766      3.64511393    -10.01567416
  H     11.82295898      7.48308848     -7.52951872
  O     16.38205087      5.43813484    -14.66231237
  H     15.99159047      5.06842330     -9.38048940
  H     16.32585907      7.31065597     -9.16271202
  O     10.70434073      8.35005407    -12.85430627
  H     16.73841675      1.47074348    -11.01837052
  H     17.49315018      6.74325227    -10.02066407
  O     13.84073209      5.72007272    -11.46221462
  H     15.50093509      2.22174445    -11.56635176
  H     11.19956084      7.52837646    -11.34345780
  O     13.87879588      2.19667093    -12.14813781
  H     13.94432946      9.01275129    -14.65757028
  H     12.27764823      6.45802382    -10.96477761
  O     14.84859979      8.57425627     -8.90852523
  H     13.68482437      8.66855438    -13.17830749
  H     14.83505205      4.63345273    -14.12473000
  O     12.49073048      7.25200187     -8.17065282
  H     14.01274830      6.39223695    -16.41460219
  H     13.34268074      4.94037608    -14.38306430
  O     16.92784060      6.56436318     -9.25950575
  H     15.13263155      7.44378835    -16.51461289
  H     10.51944412      5.46017097    -11.31434855
  O     11.49241730      6.92809490    -10.64246896
  H     12.69360385      5.25289796     -8.24792951
  H     10.69797585      3.94405431    -11.44797210
  O     13.93763137      4.37810407    -13.86954404
  H     13.77129888      4.25601229     -8.70077491
  H      9.99785917      5.41574613    -13.41935979
  O     10.25405019      4.69993816    -11.84862649
  H     17.59005501      7.63774411    -12.81792949
  H      9.04476000      5.71018361    -14.60123443
  O      9.89289410      5.94162801    -14.23258961
  H     16.12267882      8.11062962    -12.76999916
  H     11.55357953      6.14206174    -15.01914370
  O     12.48097762      6.30149454    -15.23567907
  H     16.54379670      6.27206060    -14.20189430
  H     12.72616266      7.13170970    -14.80358429
          69
 Energy    -250.01599630085633     
  O     11.91299140      9.72322108    -12.76734011
  H     11.52502648      8.86595850    -12.98913369
  H     18.03147779      5.54082591    -10.43240357
  O     17.96914909      9.24679311    -12.89563859
  H     12.43687271      9.99809800    -13.53019469
  H     17.77647659      7.70589359    -11.90130501
  O     13.84458238      2.98876451    -12.80181500
  H     18.62401511      9.93881564    -12.85737965
  H     16.57706689      6.99610448    -11.21503078
  O     15.71756663      1.55241537    -11.41999734
  H     17.10168642      9.67386109    -12.77843718
  H     14.63800853      5.41552290    -14.19324783
  O     17.48489131      7.64063473    -15.24666773
  H     12.90951977      2.99333904    -13.04897914
  H     16.01625708      4.75433599    -14.40814760
  O     14.82572811      8.15496305    -15.74331305
  H     14.32271669      3.47862500    -13.48711649
  H     12.99307812      6.96972281    -13.37527746
  O     15.52049208     10.35839739    -12.57329269
  H     15.01755494      1.98451895    -11.93859996
  H     14.33859068      7.06721962    -12.59667733
  O     11.20943100      3.45919575    -13.40602289
  H     15.55264055      0.61417752    -11.46684282
  H     13.21569386     10.17117194     -9.91856770
  O     15.68987971      3.50532592     -9.32819412
  H     17.72489360      8.22481891    -14.51715087
  H     12.88645952      9.65209117    -11.33942245
  O     13.75956320     10.48057920    -14.82494329
  H     17.64986531      6.74495873    -14.92629429
  H     13.89519549      6.64005466    -16.57531962
  O     18.10269415      2.97167942    -12.18297640
  H     14.49936945      7.73891617    -14.92937663
  H     14.08588501      5.19492789    -16.10720780
  O     18.21415672      4.74154453     -9.91080993
  H     15.78426640      8.01671426    -15.73252728
  H     17.57350705      5.79445844    -13.01543148
  O     17.50161334      6.88095785    -11.48257295
  H     14.95569657     10.47708461    -13.34692553
  H     17.90568747      4.33907297    -13.37454081
  O     15.07313026      4.64274507    -14.58666129
  H     14.92879734     10.15781358    -11.84010598
  H     11.88671916      5.53323638    -15.94323547
  O     13.95146735      6.89995485    -13.46370535
  H     10.95748545      3.99005224    -12.64126183
  H     10.38139406      5.32092995    -16.21728506
  O     13.52665999      9.59012115    -10.60730893
  H     11.12526150      4.03973892    -14.17268885
  H     14.34292158      7.94363566    -10.61768028
  O     13.48577440      5.76679650    -16.60588208
  H     15.73368475      2.74244628     -9.92001994
  H     14.34799815      6.36099854    -10.65629437
  O     17.65710772      5.18967796    -13.76469311
  H     16.54228000      3.94917170     -9.41578642
  H     10.99932907      6.49506521    -12.50617297
  O     11.02061007      5.41296569    -15.51543277
  H     14.13527508      9.69684841    -15.26207729
  H     11.00600782      6.55333675    -14.06527403
  O     14.85587421      7.16005862    -10.85445886
  H     13.67921149     11.15606211    -15.49334365
  H     10.38356192      5.13651179    -10.37523557
  O     11.17071411      7.06928171    -13.26428650
  H     18.25237289      3.47837351    -11.37484361
  H     11.85895526      5.06623396    -10.83014805
  O     10.95277024      5.24534280    -11.13299379
  H     17.34265077      2.40866666    -11.99359875
  H     14.24676786      4.32882158     -9.97442716
  O     13.58759675      4.69692818    -10.58217511
  H     18.95984521      4.94481054     -9.35160565
  H     13.67562578      4.18060920    -11.39606498
          69
 Energy    -250.01470473995514     
  O      9.08572103     10.40708836    -12.29900642
  H      9.53442816     10.70785366    -11.48795059
  H     11.02117881     10.67325298     -9.62993941
  O     13.97135249     10.81900685    -12.27304028
  H      8.15188181     10.39134350    -12.10847469
  H     11.43481280     10.17053754    -18.69582655
  O     16.87774457     13.21418440    -12.72337439
  H     14.70900150     11.09738406    -11.71422730
  H     11.55686460     11.25738534    -17.59929533
  O     15.27231357      7.33108079    -12.39224715
  H     13.44132655     11.60200314    -12.46121758
  H     13.98797212     13.44699672    -13.96606977
  O     10.70523348     11.64099366    -14.22481542
  H     17.39668144     12.52258042    -13.15172722
  H     14.35653956     13.90224726    -15.39616014
  O     13.51156279     14.22459090    -17.03476459
  H     16.19419344     13.46351529    -13.35804969
  H     17.36086949     10.98822057    -14.71734334
  O     15.86526324     11.21205088    -15.69700521
  H     15.35777205      6.39234246    -12.24625015
  H     18.88742772     10.89906326    -14.50360913
  O     12.40783496      9.60369907     -8.86926981
  H     14.46610914      7.61337290    -11.92906605
  H     11.84195567     14.46161781     -9.72836917
  O     12.58625955     13.13075736    -12.88146464
  H     10.04222643     11.29943277    -13.61222939
  H     12.67983699     13.15944755     -9.75005135
  O     14.55497511      9.19947671    -14.37903103
  H     11.16807676     10.86820596    -14.58100247
  H     14.67277602     11.98225069     -9.45670923
  O     17.21363327      9.41120751    -11.71382368
  H     13.86424022     13.43278745    -17.48033584
  H     13.44702958     11.23983794     -8.86496868
  O     10.42539537     11.25306886    -10.11889830
  H     13.64304724     14.95785820    -17.63008938
  H     11.94255546      9.60049760    -16.25092160
  O     11.93936176     10.42239030    -17.92675017
  H     15.41274535     10.43466848    -15.33717751
  H     12.87374299      9.25419987    -15.05636163
  O     14.72367117     13.51591698    -14.59148671
  H     15.46595881     11.99424782    -15.28610403
  H     15.01781006     11.54179208    -17.34905414
  O     18.05260341     10.90472867    -14.04119330
  H     12.35949041      8.98285871     -8.14661676
  H     13.67346875     11.25976226    -18.06582397
  O     11.96733580     13.64593825    -10.20538028
  H     12.62231490      9.09106561     -9.66597241
  H     10.15150856      8.87263229    -12.73074399
  O     13.82745581     12.11477504     -9.00413059
  H     12.31169185     13.40629017    -11.99791264
  H     11.13232352      8.47754687    -13.84958812
  O     11.94915348      9.37954680    -15.31150501
  H     11.84190596     12.69524405    -13.32195529
  H     16.35741145     12.32510885    -11.23522457
  O     14.42285051     11.86708155    -18.03793723
  H     14.37867247      9.84679609    -13.67512176
  H     16.52899422     10.83474076    -10.82470374
  O     10.82472030      8.22352874    -12.96951780
  H     14.87428132      8.41256880    -13.92464058
  H     10.83218709     12.51743946    -15.89608274
  O     16.03951655     11.64567152    -10.62151377
  H     16.64748027      8.67171423    -11.95954070
  H     11.79603139     13.35258242    -16.78488888
  O     11.05675784     12.73296964    -16.81084712
  H     17.52872518      9.80932361    -12.53570089
  H     13.29159853      9.33290330    -11.59559446
  O     12.97831688      8.46219404    -11.30195415
  H     10.84869706     12.12004680    -10.13090378
  H     12.19376184      8.26181605    -11.83487593
          69
 Energy    -250.01461643378735     
  O     11.78787574     11.50106407    -13.55668471
  H     11.75442640     10.73515836    -12.95488658
  H     19.61619510      9.09193781    -14.93595811
  O     16.08612351      6.55384800    -13.77010778
  H     10.92647548     11.90832119    -13.52826717
  H     14.58602463     12.97476188    -16.84640071
  O     18.32512756     10.02773510    -11.90201603
  H     15.37209222      6.43413698    -13.12763651
  H     14.28903706     11.67920814    -16.05841426
  O     17.12836041     10.68522231    -16.10654457
  H     15.78881258      6.26658417    -14.64177217
  H     16.19135763      9.60785949    -14.93625501
  O     12.84147977      7.43513222    -15.73315492
  H     18.31401798      9.09524749    -12.16978724
  H     15.76117509      8.31772187    -14.16113822
  O     15.68800376      8.37130226     -8.32362037
  H     17.41131600     10.34910044    -11.88506144
  H     12.53654770      9.24261388    -11.40116875
  O     14.15071297      6.52271723    -11.81422681
  H     17.87150813     10.93296271    -15.53991285
  H     11.70532074      8.44946295    -12.43664348
  O     15.67129948     10.79340001    -12.07666412
  H     16.50357509     11.41953501    -16.13576155
  H     19.07023026      5.36670861     -9.76426557
  O     17.40583496      7.99111663    -16.87003828
  H     13.67393520      7.06467865    -16.05145945
  H     17.64349527      5.92520172     -9.98878544
  O     15.92317362      5.85697782     -9.69169602
  H     12.90153037      8.39145327    -15.84926938
  H     12.15252545      6.97992030    -14.20570241
  O     15.35563057      6.28514243    -16.46225206
  H     15.64175389      8.59634981     -7.39851558
  H     11.04295967      6.19966263    -13.46147874
  O     19.54554554      8.14429106    -15.09298231
  H     16.58374645      8.60562664     -8.62669076
  H     20.01298751     11.57952393    -14.19768578
  O     14.89958886     12.43261355    -16.12632367
  H     13.30512640      6.46934666    -12.27632197
  H     18.99149933     10.71939232    -13.42483586
  O     15.55425778      9.24810512    -14.30401975
  H     14.18600911      7.40286110    -11.40971872
  H     17.63407548      6.99740686    -13.04089931
  O     11.78567665      9.30891542    -12.00663352
  H     15.62259628     10.21435364    -12.85437250
  H     18.59382214      6.84307882    -11.82677530
  O     18.59047030      6.10340703    -10.13235108
  H     15.26186567     11.62590454    -12.34772309
  H     18.47757859      7.92494881     -9.52186097
  O     11.80060524      6.76193673    -13.32417112
  H     17.26117127      8.94458990    -16.88733571
  H     18.33371936      9.35642377    -10.07976404
  O     19.27988560     10.98039835    -14.31505795
  H     18.19742251      7.88114346    -16.32298671
  H     14.60499960      8.86099555     -9.73525254
  O     18.44341938      7.34441448    -12.63668207
  H     15.74527255      6.62076384     -9.12798037
  H     14.70674760      9.69689753    -11.04144675
  O     18.18535373      8.81689836     -9.29407291
  H     15.28200704      5.90192434    -10.41194835
  H     13.41118793     12.48867015    -13.30972707
  O     14.18024711      9.02393274    -10.58589331
  H     15.43044907      5.56620507    -17.08410042
  H     14.59197424     12.87209988    -14.21397200
  O     14.30595219     12.85324482    -13.29353319
  H     16.08263391      6.90325306    -16.66378683
  H     12.70374045     10.64001603    -14.91076971
  O     13.30454446     10.23553326    -15.55134165
  H     19.29886182      7.76557972    -14.23815441
  H     14.03577859      9.84146073    -15.04763946
          69
 Energy    -250.01326632311844     
  O     11.02161609     10.49395577    -11.22747870
  H     10.46030778     10.20174728    -11.95666276
  H     15.74846852      6.37603623    -16.35589733
  O     13.42877847      7.62515659    -15.14563500
  H     11.78532799     10.91753357    -11.63988718
  H     14.66256797     12.34360696    -15.14257613
  O     17.69637586     10.33575155    -11.66112937
  H     14.15799793      8.09818764    -14.71040300
  H     15.00490808     13.75116415    -14.58698321
  O     18.52684948      9.61119373    -16.10960912
  H     13.80580514      7.22489095    -15.93693193
  H     15.41232502      8.89304757    -12.93034412
  O     11.96958927      9.93686119    -14.88948195
  H     16.78434751     10.18951053    -11.37090899
  H     16.08288798      9.43848316    -14.19902955
  O     16.37887906      6.32138474    -11.11417655
  H     18.11021219      9.46366280    -11.66693987
  H     10.87036011      8.40654397     -8.83740230
  O     12.98606373      6.01076493    -12.92876181
  H     18.11667464     10.19753318    -15.44866729
  H     11.21842302      9.12344747    -10.16414432
  O     14.99878100      9.69439645    -11.32751951
  H     19.18391677     10.13185576    -16.56558078
  H     19.06087872      7.46792477    -13.64842228
  O     15.85206470      9.38189082    -17.21163296
  H     12.38461661      9.07529075    -15.04150203
  H     19.01873177      8.06329795    -15.08408805
  O     15.38437527      4.50567507    -13.11675125
  H     11.10605075      9.75727961    -14.49792658
  H     11.24153478      6.52137478    -12.41555268
  O     17.17677010     11.01306065    -14.24312264
  H     16.09696102      5.60945959    -11.69983614
  H     10.65925448      7.30751431    -11.22313809
  O     15.16454969      6.57875195    -17.10648880
  H     15.56583533      6.68059714    -10.73834759
  H     17.57449474      6.43522125    -14.80231469
  O     15.02431984     12.82282004    -14.37215752
  H     13.69607047      5.35908181    -12.97064595
  H     16.24542351      7.09156141    -14.39423116
  O     15.58958707      8.68441168    -13.85608625
  H     13.06401989      6.54830707    -13.73010051
  H     17.85949384      7.19004913    -11.53720493
  O     11.29536308      8.28061983     -9.68122174
  H     14.53202137      8.93154852    -10.96281516
  H     19.33967441      7.38020185    -11.14925074
  O     19.13529960      7.24400102    -14.58591894
  H     14.34688389     10.27257748    -11.74795859
  H     14.62180817     10.63860521    -16.69952634
  O     10.45853959      7.00096893    -12.11632320
  H     16.77860300      9.41075749    -16.94647389
  H     13.23622673     10.85787679    -16.01708590
  O     16.61824539      6.28630387    -14.78516773
  H     15.62817128      8.44862201    -17.29589995
  H     13.48665850      6.89373961    -11.38841454
  O     18.67792335      7.65708265    -11.77928332
  H     15.85905232      5.05429222    -13.76489727
  H     12.96460626      7.61095560    -10.12149815
  O     14.02434468     11.31040426    -16.33987678
  H     15.66096479      3.60404068    -13.25877915
  H     13.83493799     11.92993475    -13.18845737
  O     13.77082766      7.33360238    -10.57445033
  H     17.43469714     10.86821193    -13.31867813
  H     12.82178972     10.80997068    -13.50918320
  O     13.24139727     11.28904113    -12.77961203
  H     16.51083452     11.70959789    -14.26392154
  H      9.90672790      8.39648133    -13.01988040
  O      9.66531297      9.24662008    -13.42957163
  H     15.30334893      5.89868865    -17.76015218
  H      8.73637874      9.19779505    -13.63851408
          69
 Energy    -250.01322437443724     
  O     -3.62477708      5.19880529      3.47280493
  H     -3.55587085      4.87442838      2.56527827
  H     -0.72571338      2.81247280     -0.37227021
  O     -0.78793706      0.06924328      3.15901325
  H     -2.80719920      4.93949014      3.91680076
  H     -6.08085667      4.68571421      5.41687442
  O     -4.55535658      0.45303371      0.71022438
  H     -1.34955504     -0.66688366      3.43663021
  H     -4.95923310      4.53097676      4.35968550
  O     -2.38689728     -2.55620620     -1.36620342
  H     -0.46791998     -0.13020087      2.26819772
  H     -3.23831626      3.03526334      1.64674299
  O     -0.00481011     -0.25583661      0.51351731
  H     -4.04914374      0.80252152      1.46254182
  H     -4.38849363      3.56193994      0.76569618
  O     -4.14935239     -0.45367687      5.64631524
  H     -5.17998160      1.14720435      0.46987682
  H     -6.39790926      2.77528059      3.75251648
  O     -6.48158364     -0.46221355      4.28019340
  H     -2.38275622     -1.58652553     -1.31007563
  H     -6.64703332      1.26465613      3.48961494
  O     -1.41107057      4.11711516      4.92319657
  H     -2.45485409     -2.77330169     -2.29302007
  H     -6.38694924      2.56325029      1.44944631
  O     -2.36963023      0.16636459     -0.93999029
  H     -0.82281770     -0.08943930      0.02464309
  H     -6.89932096      3.07875729      0.08064020
  O     -4.99566989     -1.76824737      2.24283810
  H      0.13601491     -1.21347436      0.48761901
  H     -2.18583562     -2.76618571      3.48700209
  O     -1.60516517     -4.26311133      2.51175569
  H     -3.81601997      0.45305744      5.68409922
  H     -3.40335885     -1.85464188      3.22235636
  O     -1.57737987      2.78198607     -0.82357122
  H     -3.49660695     -0.97868500      5.16672578
  H      1.76484729      2.46219779      0.18085516
  O     -5.61451866      4.04188755      4.89087771
  H     -7.17973229     -0.83070836      4.81562890
  H      0.70533888      1.39919750      0.54097699
  O     -3.48759423      3.75956172      1.05138331
  H     -5.67852586     -0.45801329      4.83218460
  H     -0.02780241      1.72216731      3.46233455
  O     -6.70127857      2.14123143      3.09094277
  H     -0.86184068      4.59183162      5.54150823
  H      0.49429733      2.72814070      2.43016488
  O     -6.12177128      2.76336195      0.53211398
  H     -0.80702493      3.63007256      4.33446526
  H     -4.27752127      2.83383350      5.37590813
  O     -2.60061226     -1.93727248      3.75639429
  H     -2.09295798      1.08523266     -1.07524110
  H     -2.72887449      2.85645547      5.36224330
  O      0.90627439      2.34965279      0.58233577
  H     -3.17823364      0.20971219     -0.41003753
  H     -4.27836855     -3.20079526      1.28097752
  O      0.21351575      2.65244920      3.34894862
  H     -5.61164043     -1.44837246      2.91224842
  H     -3.36529079     -3.40949114      0.04467395
  O     -3.49453250      2.26807105      5.40192841
  H     -4.90134465     -1.04433456      1.60604563
  H     -0.84253353     -2.96790770     -0.26554974
  O     -3.69707211     -3.83775180      0.84354971
  H     -1.52269413     -5.17387266      2.78150237
  H     -0.49697523     -3.43636333      1.15877619
  O     -0.13492392     -2.97663922      0.39185703
  H     -2.37575261     -4.21330323      1.91610448
  H     -3.35062935      1.79304117      3.60662515
  O     -3.06973829      1.57031613      2.71160960
  H     -2.20330369      3.24893096     -0.25468176
  H     -2.22847326      1.10401901      2.79921025
          69
 Energy    -250.01283091969793     
  O     -1.64967361     -0.62482549      1.85521446
  H     -2.35022875     -0.54874721      2.52445852
  H     -3.19785911      2.93715852      3.64373339
  O      0.74766076     -2.00417159      5.38221709
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  H      0.93339836      1.51864421      2.56486735
  O     -6.77482721     -0.64057590      5.07120653
  H      0.07136123     -2.58564832      4.98780958
  H      1.92517592      2.36049040      1.73107068
  O     -5.90696029      0.38822668      2.55482951
  H      1.46117997     -2.56552639      5.67253469
  H     -1.33930709      4.01397115      3.43757514
  O     -5.46545982     -0.95227430      0.10476245
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  H      0.11454216      3.59790024      3.16034542
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  H     -6.61389211     -1.57164297      4.87824108
  H     -0.47905462      2.73250191      5.14061765
  O     -4.08493576      1.35988316     -0.32521565
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  H     -0.25986327      1.23225639      4.90099082
  O     -1.96116776     -3.30388471      1.52959225
  H     -5.94740736     -0.11586909      1.73323033
  H     -0.30359377     -1.00921976      6.64431613
  O     -1.20698045     -3.47898634      4.28244929
  H     -6.01181399     -1.09566495     -0.66410220
  H     -0.75277959      0.45522152      6.79221956
  O     -3.55870520     -2.58884908      5.43497025
  H     -4.89928994     -0.18727129     -0.09953429
  H     -3.55168291     -1.09136103      4.36869056
  O     -5.99544299     -3.31098370      4.30045172
  H     -0.65681026      2.15276474      1.05199647
  H     -3.42661229      0.46678400      4.29281303
  O     -3.05368876      3.35978072      2.78254948
  H     -2.08955284      2.45212032      1.54605848
  H     -6.37667544      3.44023752      1.59519066
  O      1.00873680      2.29724676      1.98818935
  H     -4.61145693      2.00148008      0.16850509
  H     -5.75684804      2.08274671      2.00118298
  O     -0.45156113      4.01896658      3.81828707
  H     -3.16616026      1.55764590     -0.10571891
  H     -2.42960761     -0.99071835      7.69062274
  O     -0.57893888      1.86505111      5.55864128
  H     -1.79555146     -2.34467313      1.54614321
  H     -3.29438335     -1.57624155      8.83279883
  O     -0.87616268     -0.42928060      7.16011655
  H     -1.52474814     -3.64609283      0.75358239
  H     -5.68260834      0.23926215      6.27930707
  O     -3.52239772     -0.33846151      3.76570484
  H     -2.03615079     -3.24635110      4.72548054
  H     -4.51776675      0.01636496      7.27702974
  O     -5.56964888      2.93283935      1.56700089
  H     -1.41542637     -3.54868596      3.34456835
  H     -3.85038084     -3.26161560      1.76630332
  O     -3.31386523     -1.33706933      7.91025149
  H     -3.57853720     -2.24690676      6.33815355
  H     -5.00752048     -2.39547240      1.23428832
  O     -5.01243874      0.69714173      6.80735886
  H     -4.43636320     -2.91606962      5.19982664
  H     -0.26952119     -0.23656012      3.00039400
  O     -4.79363860     -3.08894889      1.87026864
  H     -6.54056521     -4.09313702      4.30146763
  H      0.67881688     -0.62064164      4.16816074
  O      0.43677492      0.09826797      3.57087568
  H     -5.60320370     -3.24405590      3.41102154
  H     -3.93248945      1.67957018      5.83491163
  O     -3.32810242      2.02411300      5.15930487
  H     -3.91883244      3.40028924      2.35929775
  H     -2.41805424      1.97318975      5.48028263
          69
 Energy    -250.01224905703461     
  O     -1.74424962      3.36554728      2.34846074
  H     -1.08765990      3.82104862      1.79726313
  H      1.36565738      1.56451246      0.04101830
  O     -3.10681655      5.63879092     -0.52593285
  H     -2.48555200      3.14353051      1.77147252
  H     -1.09040045      3.78411390     -1.94178413
  O      4.12174968      6.12947832      0.87761264
  H     -2.82239621      6.30838445      0.10739642
  H     -1.67843874      4.62373003     -3.11080301
  O      2.48395929      7.88147641      2.43123992
  H     -2.35831692      5.43031127     -1.10141083
  H      1.66011356      6.01051924     -1.45360766
  O      2.22947235      3.07953135     -0.06447346
  H      4.18233713      5.31736600      1.40357887
  H      0.14535484      5.80007245     -1.76004450
  O      0.30314987      4.72595872      1.02747066
  H      3.62994930      6.76678824      1.40653078
  H     -2.52929072      1.72105760     -2.62703533
  O     -2.31185378      7.50803343      1.43180984
  H      2.77623578      8.72368215      2.76913273
  H     -3.14245316      2.53151560     -3.78589953
  O     -1.36886414      2.12977203     -1.19946530
  H      1.73512833      8.06165715      1.83349644
  H      2.33700020      2.92575807      5.12818970
  O     -1.76274595      5.91290221      3.54924386
  H      2.65493974      3.67072418     -0.69623216
  H      1.54842290      2.68814257      3.81971837
  O     -3.56755358      3.03266231      0.30409610
  H      1.54661785      3.60813753      0.37927803
  H     -5.28349444      4.11456513     -2.23714112
  O      0.38539512      8.19865945      0.75368169
  H      0.57670009      5.14793604      1.85395059
  H     -4.45131344      5.34529918     -1.81842110
  O      0.74007275      0.83507487      0.19891652
  H      0.39465666      5.37681502      0.32125351
  H     -3.76494180      4.64059627     -3.80366657
  O     -1.13726034      4.67686928     -2.31328512
  H     -2.14622021      6.95438986      2.21592194
  H     -3.18616965      4.74473281     -5.23646586
  O      0.77275276      6.33458039     -1.25275420
  H     -2.91913034      8.19197159      1.70387678
  H     -0.43378732      2.19360711      2.87633344
  O     -3.26767169      1.73756779     -3.25143752
  H     -2.08341997      2.35067246     -0.58519237
  H      0.52634206      1.28607338      2.09360606
  O      2.16694009      3.29453694      4.26547162
  H     -0.70356933      1.63108449     -0.71263550
  H      1.64931069      6.45980699      3.29881523
  O     -4.95223513      4.96461953     -2.55289092
  H     -1.93158540      4.99547895      3.29659857
  H      1.51290017      4.99411250      3.86215841
  O     -3.02307589      4.37087782     -4.37504726
  H     -0.81020233      5.95719458      3.71253778
  H      3.47572078      3.50860120      2.91534678
  O      0.39900562      1.70553797      2.95094755
  H     -3.46959144      3.97264099      0.08625401
  H      3.46876302      3.29965434      1.39353739
  O      1.02660452      5.75840308      3.52745050
  H     -4.29939189      2.70151797     -0.22919976
  H     -6.13758521      1.64371573     -1.77637063
  O      3.99669623      3.65905753      2.11771697
  H     -0.53398009      8.03590184      0.99465256
  H     -4.71164547      1.98744975     -2.27325937
  O     -5.42525452      2.26840181     -1.67245447
  H      0.54024651      7.69532208     -0.05828009
  H      3.67701705      5.60925523     -0.68650010
  O      3.34349503      5.23605999     -1.52500329
  H      1.18175205      0.03071656     -0.06234976
  H      4.04022818      5.33326085     -2.16754850
          69
 Energy    -250.01218127930531     
  O     12.78351720      9.40711953    -16.66063834
  H     12.01764801      9.78169699    -17.08769060
  H     19.01372519      6.24752682    -15.32534497
  O     16.22171412      7.00523177    -12.12215637
  H     12.79508604      9.75616564    -15.75064610
  H     17.52269728      7.73885612    -17.71933465
  O     19.00866596      9.77130869    -14.22862444
  H     17.18187246      7.06822097    -12.22208259
  H     16.27577544      8.52683697    -18.15922001
  O     12.94235914      6.13016723    -13.34888441
  H     15.95055868      6.08562266    -12.23757933
  H     15.11556669      7.48975483    -15.17464091
  O     17.25885627     12.25717146    -11.31636416
  H     19.40749840     10.39262276    -13.60828794
  H     15.96528485      7.53909542    -13.87187012
  O     14.79087262      9.06021145    -11.06582851
  H     18.14974318     10.14304636    -14.48167855
  H     12.55886284      9.64849710    -13.41156242
  O     16.44960907     10.51713180    -14.96763360
  H     13.63799114      5.50781787    -13.11080004
  H     13.52870657     10.81078789    -13.70117527
  O     16.55098919      4.39420772    -15.15378019
  H     13.06302809      6.31605587    -14.29128520
  H     19.23274623      8.48517417    -11.10904305
  O     16.80439759     10.06170768     -9.48552701
  H     17.14570686     11.61784171    -10.60180806
  H     18.48046112      9.41495334    -10.11916442
  O     18.42730425      7.73613353    -16.03334552
  H     18.14691774     12.10318704    -11.65855422
  H     12.47585084      7.54175434    -12.47654275
  O     15.23410251      4.48705326    -12.79911862
  H     13.86446479      8.86502206    -11.25138878
  H     11.38648003      8.25667839    -11.64088962
  O     19.19928546      5.46831221    -14.77126655
  H     15.30198977      8.31359413    -11.41615665
  H     18.91544773      8.21613903    -13.21047614
  O     16.75061990      7.69278653    -18.29571672
  H     16.18436438      9.58425834    -14.94014513
  H     19.10929218      6.67752809    -13.24928614
  O     15.93755717      7.81973200    -14.79412687
  H     15.98086839     10.94080353    -14.23741053
  H     19.79109298     10.64124422    -11.48587307
  O     12.83594473     10.26766521    -14.09743912
  H     17.46361691      4.69309699    -15.06308764
  H     20.71941595     11.81833875    -11.87419256
  O     19.34106662      9.24498340    -10.52351563
  H     16.21391319      4.74788812    -15.98551000
  H     15.28682632      4.91071490    -18.34817841
  O     12.25184749      8.37487013    -12.02293839
  H     16.53983030     10.13475312     -8.57160021
  H     15.89853246      6.25810167    -17.89615714
  O     18.89159742      7.41377843    -12.66660852
  H     16.03902911      9.70849555     -9.96821891
  H     14.95694436     10.55621175    -12.17744190
  O     19.90489470     11.38182899    -12.10880240
  H     18.83389339      8.49902260    -15.60230846
  H     15.77219283     11.85487844    -12.29000376
  O     15.41596413      5.46968870    -17.58659324
  H     17.52139414      7.69408644    -15.68370876
  H     14.50683208      9.87078248    -17.34310813
  O     15.06008265     11.35420545    -12.71371770
  H     15.67365262      4.40908898    -13.66520783
  H     15.84006535     10.39012476    -16.78590819
  O     15.43075463     10.01844826    -17.57764012
  H     15.22739805      3.61506173    -12.41408790
  H     14.08558970      6.34340781    -16.62242404
  O     13.58349249      6.82629419    -15.95357508
  H     20.00024834      5.07428738    -15.10840197
  H     13.26506132      7.65656293    -16.33313520
          69
 Energy    -250.01163540480439     
  O     15.54359259      6.52067104    -14.82297048
  H     14.59885996      6.71159711    -14.91012818
  H     18.30876031     10.76338876    -11.59664899
  O     14.61016951      5.82494623    -10.38790324
  H     15.63825847      5.82457648    -14.15865586
  H     15.93423180      7.83584467    -13.64848668
  O     15.41312625     10.23870225    -16.98363921
  H     14.47580424      6.77663503    -10.50125278
  H     17.05644823      8.39611657    -12.72844403
  O     10.80329444      6.36040867    -11.99231678
  H     13.74609498      5.41165366    -10.27594907
  H     13.78612624     11.13137402    -13.89242570
  O     12.86863514      7.21825295    -14.82267643
  H     15.42041130     10.77646438    -17.77100804
  H     12.55396071     12.02078096    -13.60870410
  O     14.54803429      8.56682745    -10.78945544
  H     14.48674708      9.98258788    -16.82686243
  H     14.13537185      3.85513733    -12.93062567
  O     19.33536684      9.08962503    -14.88958276
  H     10.82034579      5.92856495    -12.85556512
  H     12.88141368      3.79143976    -12.02995997
  O     11.35050022      4.92448450    -14.42386269
  H     11.21322853      7.22722171    -12.11195713
  H     12.68387026     10.19678789    -15.52531132
  O     18.82225421      7.92205642    -12.41831525
  H     12.30748262      6.43279415    -14.80920317
  H     12.81771325      8.71441934    -15.90932197
  O     17.23937733      8.16782336    -16.32823600
  H     12.72628917      7.68354703    -13.98605457
  H     16.30239928      6.05287326     -9.67509227
  O     18.44169807      5.22775862    -11.67751701
  H     15.12857365      8.86271505    -10.07766889
  H     17.14427673      7.28456026     -9.30721094
  O     18.38058223     10.15626816    -10.84856360
  H     15.09943010      8.56310446    -11.58931383
  H     15.36230201      5.16537481    -11.89905874
  O     16.13753044      8.52030754    -12.99776967
  H     20.08977288      9.17570820    -15.46612920
  H     16.74338119      4.78250882    -12.45846106
  O     12.81672117     11.12672401    -13.81216424
  H     18.60247890      8.75372887    -15.43599882
  H     11.59262471      5.23905086    -10.92211639
  O     13.19897066      3.62161855    -12.92597909
  H     12.02347547      4.39829490    -13.95511052
  H     11.53804739      4.18347734     -9.78986997
  O     12.87885949      9.61123350    -16.26677231
  H     10.85123422      4.31912315    -14.96469087
  H     17.31834834     11.43162766    -13.68156873
  O     17.21221868      6.34951022     -9.53065122
  H     18.82012489      6.96231886    -12.33380489
  H     18.64707025     10.69801309    -13.91539427
  O     15.80268397      4.77629399    -12.67018967
  H     19.13627049      8.17436920    -13.29734513
  H     12.38553163      9.55467355    -12.88022398
  O     12.11911063      4.58242033    -10.43134896
  H     16.62808704      8.84289704    -16.64755231
  H     13.04485047      8.67014940    -11.79489989
  O     18.23238784     11.38284456    -13.37738946
  H     16.69430532      7.48694884    -15.91131527
  H     16.78543637      9.58299384     -8.19360761
  O     12.35944036      8.67744800    -12.47822351
  H     18.07053784      5.62266644    -10.86609604
  H     17.27206835      9.59296824     -9.66120367
  O     16.65807766      9.16116374     -9.03882555
  H     19.09219390      4.58883260    -11.39800836
  H     15.76584632     10.08763132    -13.79021019
  O     15.52746009     10.91706448    -14.23339461
  H     18.70387090      9.33399228    -11.24308211
  H     15.58400911     10.75554973    -15.18422825
          69
 Energy    -250.01141999169744     
  O     15.81234216     12.39448437    -14.11960634
  H     16.42855216     12.37580995    -13.37664134
  H     13.53606764      7.08419528    -16.84015215
  O     13.97432530      6.58671257    -13.80791421
  H     16.31634755     12.08952803    -14.88298159
  H     17.75956773      5.02406217    -11.70341422
  O     15.92522771      7.51696726     -9.99090720
  H     13.24135778      7.13278153    -13.49275368
  H     17.77448555      3.48587320    -11.86939308
  O     18.54109550      7.96016192    -13.44171148
  H     13.82822679      6.36451552    -14.73791441
  H     18.78111880     11.10166007    -13.28946190
  O     13.24592010      8.94002897    -17.22024804
  H     15.57804422      6.78397907    -10.51773000
  H     18.67609990     10.83941446    -14.79802277
  O     13.47495383      8.48678154     -9.12532338
  H     15.16733992      7.86992670     -9.50295294
  H     15.88853704      8.84999992    -14.89503033
  O     12.06013523      8.15146139    -12.54832241
  H     18.95467478      8.81385681    -13.62491754
  H     15.24557173      7.84034921    -13.90982952
  O     16.05273905      9.79039937    -11.54703557
  H     17.59556736      8.10258185    -13.59436496
  H     12.77915446     12.94182351    -13.63609000
  O     16.63875708      6.33377321    -16.99579927
  H     12.66212194      9.21308031    -17.92263344
  H     14.12154991     12.19128042    -13.78884617
  O     12.34853692      6.19619830    -10.49044711
  H     12.84023523      9.23967136    -16.38621366
  H     12.51270142     10.58099607    -14.48941946
  O     17.79292886      5.58152612    -14.67573650
  H     13.28653071      9.22082972     -9.72304969
  H     11.96932645      9.17581343    -14.15615698
  O     13.82280532      6.22410666    -16.50860691
  H     12.97464939      7.73496152     -9.46657630
  H     17.67875907      6.93890257    -10.51819597
  O     17.30465349      4.27380033    -12.12930379
  H     11.95163016      7.47720423    -11.86700711
  H     18.54212160      7.09140721    -11.79750183
  O     19.17316807     10.59188270    -14.00934874
  H     12.49525740      8.90184803    -12.11545087
  H     15.59466470      4.87054578    -11.67294144
  O     15.87476324      8.57182872    -13.97334237
  H     16.11106068      9.02499119    -10.95973669
  H     14.54054225      5.75691770    -12.37890230
  O     13.17876086     12.07811255    -13.57279453
  H     15.97605237      9.44720124    -12.45107264
  H     17.75108171     11.73279914    -17.00727915
  O     12.18873463      9.76363978    -14.88872693
  H     17.03545121      6.03080287    -16.15914752
  H     16.95620562     10.51648650    -16.48165099
  O     18.36787478      6.51194027    -11.04205128
  H     17.09931464      5.87584218    -17.69408488
  H     14.29425682     10.18245720    -11.36711661
  O     14.80480959      5.40119523    -11.51496477
  H     13.19258674      5.81113336    -10.77900093
  H     13.17335529     11.01767319    -12.00602755
  O     17.43262793     11.31804703    -16.20911647
  H     11.82551335      5.47718000    -10.14429442
  H     17.91081699     12.38430153    -11.18736763
  O     13.33626980     10.32492062    -11.35471074
  H     18.23357055      6.36038176    -14.30651074
  H     17.10596718     11.17806141    -11.72685450
  O     17.63772700     11.94962166    -11.99079410
  H     17.56217229      5.03062005    -13.92068325
  H     15.05343594      9.08477037    -16.98110456
  O     15.99314478      9.05591060    -16.75456660
  H     14.75693105      6.14767585    -16.74261628
  H     16.29512543      8.14833310    -16.89625316
          69
 Energy    -250.01092122685924     
  O     14.20295809     12.45076173    -13.41382910
  H     13.54915233     13.14088528    -13.48663680
  H     13.71134497      6.31390775    -15.12175908
  O     14.70294119      6.63283381    -13.65604085
  H     14.03733992     11.82791041    -14.14415742
  H     19.10948393      6.07346212    -14.93100256
  O     18.68677287      7.73197222    -11.88545360
  H     15.17982648      7.36810831    -14.07536127
  H     19.08585878      4.62939497    -15.49240041
  O     19.23000568      9.29421110    -16.58762989
  H     14.13404820      7.04689492    -12.99350114
  H     17.12865033     11.61331932    -16.02010289
  O     12.07945547      8.69124192    -14.57428928
  H     18.12605656      6.99862314    -12.17721061
  H     16.42908854     10.98842742    -17.26423123
  O     15.50400446      9.10546483     -9.18967684
  H     18.56819365      7.79656293    -10.92961831
  H     15.26989396      9.40603225    -15.08986757
  O     13.18014699      8.19809228    -11.96436017
  H     18.55824083      9.99632522    -16.66293759
  H     16.34387528      8.37328051    -15.60430185
  O     17.33910810      9.95974457    -12.83342304
  H     19.97169651      9.57450097    -17.11770392
  H     16.87465223      6.28129438     -9.69304411
  O     14.72265290      7.75373013    -17.88027437
  H     12.27864690      7.88526441    -15.06517129
  H     16.54754894      5.46364389    -10.95729731
  O     13.81033291      6.81246898     -9.60414203
  H     12.29689672      8.51020300    -13.64996196
  H     19.65296420      7.73814856    -13.53141228
  O     17.27562410      7.31204004    -16.83981047
  H     14.84825002      8.39784361     -9.20234869
  H     19.71376415      8.25536167    -15.00324627
  O     13.14879304      6.35688805    -15.91288712
  H     15.27785126      9.68483434     -9.92932427
  H     16.20507393      5.87370983    -13.05694678
  O     18.52282973      5.34206371    -15.20169015
  H     13.74069276      8.98200688    -11.86615105
  H     17.56241879      5.34034380    -13.56786451
  O     17.28295907     11.12494803    -16.84326867
  H     13.23961309      7.71409223    -11.13076312
  H     18.35936288      7.98772699     -8.36769121
  O     15.92169301      8.74601166    -14.82137348
  H     17.88928063      9.27756085    -12.43153592
  H     17.08762766      8.36208854     -9.16467588
  O     16.23371867      5.66322175    -10.06623226
  H     16.89552347      9.53370246    -13.58418631
  H     14.67847258      9.48197786    -18.04124433
  O     19.92567074      7.50933054    -14.42935619
  H     15.62626132      7.48668239    -17.66087747
  H     14.40721137     10.75641931    -18.87614022
  O     17.08138577      5.57891938    -12.76691559
  H     14.14331434      7.27048429    -17.27948536
  H     15.78087019     10.22866042    -11.96521331
  O     17.90391565      7.83116400     -9.19043552
  H     13.33067312      6.30048794     -8.95849783
  H     14.57210748     11.17836421    -12.07616812
  O     14.68758000     10.45594596    -18.01601025
  H     14.63698285      6.33039435     -9.78597666
  H     16.06159224     12.53327347    -14.01864079
  O     14.89279962     10.39446815    -11.61508209
  H     18.00384112      7.94685736    -16.89213745
  H     17.24960832     11.59901058    -13.76059858
  O     16.93203919     12.29299300    -14.35451409
  H     17.60770243      6.55047028    -16.34889599
  H     13.98801828     10.63434896    -16.32928220
  O     13.85254369     10.59919594    -15.37449672
  H     12.74466884      5.49771112    -16.00908244
  H     13.14479710      9.96805838    -15.17012559
          69
 Energy    -250.01082929546570     
  O     15.83065786     10.31328549    -10.05304105
  H     15.30361470      9.78675382    -10.66968591
  H     12.86098660     10.01219417     -7.13501116
  O     15.12455590      4.49905588     -6.60954487
  H     16.75853135     10.10372209    -10.22842386
  H     12.51091912      6.29458043     -6.37513136
  O     15.39310864     12.41365952     -8.31099941
  H     15.16909564      5.08217150     -5.84161573
  H     13.47072112      6.94972184     -5.36102487
  O     12.42149489      4.77550290     -7.47158541
  H     14.19577722      4.47958427     -6.87553567
  H     17.55237147      6.89783518    -12.72602917
  O     14.46259854      8.55959525    -11.68634509
  H     15.49387270     11.75693061     -9.01567785
  H     18.15777302      5.55755093    -13.20588778
  O     18.41077600      9.48765660    -10.53481194
  H     16.26964499     12.51754399     -7.92490315
  H     15.77447436      6.87202329     -8.42020891
  O     19.63249916     10.75315319     -8.32444659
  H     11.74790359      4.10072299     -7.48751826
  H     15.87855187      5.38730010     -7.95598208
  O     18.49768680      6.79537684     -9.80271086
  H     12.48933722      5.12160795     -8.37877470
  H     15.37856350     11.02187765     -5.51765494
  O     12.61689932      5.81945903     -9.97163919
  H     13.58261309      8.65920301    -11.30243559
  H     16.52247785      9.99536523     -5.31666954
  O     13.68877682     11.49973353     -6.41018091
  H     14.71217203      7.63590187    -11.53576126
  H     16.17372798      8.72247838    -12.68554427
  O     12.03798329      8.62684294    -10.20381865
  H     18.91006941      9.98853078     -9.87907469
  H     17.61405860      9.05252100    -12.23331137
  O     12.57409662      9.20331935     -7.57781829
  H     18.45081721      8.55873331    -10.26109510
  H     15.50934174      9.17142864     -8.69160014
  O     12.67071223      7.10672544     -5.87649777
  H     19.03235318     11.32952234     -7.82566564
  H     14.30974515      8.67253564     -7.84550177
  O     17.74157974      5.98036481    -12.45962899
  H     20.50120738     11.14477647     -8.26445799
  H     17.37604504     11.85459556     -6.23966193
  O     16.14043807      6.00614956     -8.65050594
  H     18.43365269      6.41404176    -10.68600688
  H     18.13727002     13.18884411     -6.41195915
  O     16.30037355     10.93439941     -5.24934449
  H     17.71927292      6.46714040     -9.32575652
  H     15.36678589      6.44110999     -3.64712975
  O     17.10253352      8.59040093    -12.91080278
  H     12.34739956      6.73879309    -10.08138151
  H     15.83124453      7.12286632     -4.95227325
  O     15.24664148      8.52813135     -8.02110665
  H     13.41523625      5.70841439    -10.50306454
  H     15.48035820      5.85472197    -10.28289121
  O     17.91437049     12.37748320     -6.86178106
  H     13.21189695     12.23023579     -6.02372183
  H     15.95871902      5.74828945    -11.74169695
  O     15.16462341      6.52436907     -4.57566182
  H     14.24138183     11.87055106     -7.12222392
  H     19.41658844      8.96178595     -7.59920314
  O     15.17217385      5.88661098    -11.20287796
  H     12.18709215      8.87534367     -9.27573361
  H     19.12651263      7.53585606     -8.09888319
  O     19.20010082      8.07117839     -7.29952136
  H     11.18196133      8.97302559    -10.44453005
  H     16.27401531      8.39585369     -6.59163038
  O     16.86737885      8.26528170     -5.83523777
  H     12.50027353      8.49875335     -6.91284530
  H     17.74653284      8.12312425     -6.21265579
          69
 Energy    -250.01082184799139     
  O     16.43667809      8.05281355    -15.09293058
  H     16.56918604      8.62773534    -15.86726660
  H     15.30593037      9.09361753    -13.92184918
  O     15.29387645     12.10288881    -14.72016762
  H     16.11443094      7.21815041    -15.42383114
  H     16.23290735     10.42386938    -17.42304640
  O     21.40540139     10.86189043    -11.48915420
  H     15.18700531     12.05912858    -15.67780976
  H     17.70533707     10.19415107    -17.09028727
  O     21.09757438     13.26034485    -12.90818682
  H     16.17069351     11.73580934    -14.51914640
  H     18.31680897     11.36793147     -9.90709476
  O     15.62252049      9.88895787    -10.75914391
  H     21.38260490     11.75895251    -11.84740041
  H     16.86795594     11.29408992    -10.42639280
  O     19.72937158     10.18255557     -9.48473687
  H     21.45943991     10.27482150    -12.25212467
  H     19.07613027     16.24098669    -15.88701704
  O     18.70377540      8.60105460    -13.50947628
  H     21.27490088     14.18657123    -13.11355571
  H     18.13077204     15.88531403    -14.71976481
  O     15.36897598     12.14734261    -17.57699882
  H     21.17497671     12.77152704    -13.74061816
  H     20.56420156     11.69120521    -15.80834557
  O     17.47103262     13.86251107    -17.09274387
  H     15.30814463      9.82202045    -11.67723640
  H     21.49908940     10.91211252    -14.86387295
  O     21.36328262     15.87744085    -13.85510220
  H     14.85928569      9.75796868    -10.20231785
  H     17.16937007      8.81777656    -10.79170599
  O     18.93342212     11.52947574    -16.51793777
  H     20.21825399     10.12851091     -8.66833146
  H     18.64143211      8.91109325    -10.34479705
  O     14.80559037      9.68163452    -13.34382232
  H     20.36810593     10.42710623    -10.17836231
  H     20.39541092     15.09870363    -17.21412112
  O     16.86298526      9.73156256    -17.19133818
  H     18.48235205      8.44556790    -12.57703385
  H     19.94795238     16.05413784    -18.34589370
  O     17.59724406     11.90457177    -10.26232981
  H     17.97004204      8.28506516    -14.05069983
  H     17.40705442     14.17543145    -13.67292638
  O     18.92160029     16.39018797    -14.94614588
  H     16.09188914     12.79568705    -17.52797039
  H     16.11630006     13.86456865    -14.44624192
  O     21.36876471     11.77534503    -15.27432059
  H     14.73608205     12.48909329    -18.20354983
  H     21.75826007     14.92547727    -15.48031799
  O     18.03382224      8.39864426    -10.89359862
  H     17.29429592     14.09539370    -16.16887647
  H     21.75070597     13.48471201    -16.03372307
  O     19.62286086     15.53807848    -17.61331155
  H     18.15989706     14.46115876    -17.40780492
  H     21.84387642      8.50076857    -14.03486261
  O     16.86666319     14.47059255    -14.42331771
  H     21.74538125     16.67890778    -13.50813200
  H     20.40382747      9.00603787    -13.79719396
  O     21.71150025     14.41250915    -16.29709491
  H     20.46704974     16.10273135    -14.16236667
  H     18.07605027     11.88125696    -13.40528636
  O     21.32938535      9.29074349    -13.88736713
  H     18.56476742     11.39272868    -15.62867407
  H     18.12185676     10.34189370    -13.71406247
  O     17.84215910     11.20082725    -14.05016966
  H     18.52943425     12.34352708    -16.84200284
  H     18.09735923     12.94268404    -11.58166486
  O     18.36694558     13.36155090    -12.41374591
  H     14.77235774     10.53518748    -13.79496198
  H     19.33081753     13.36102295    -12.47120212
          69
 Energy    -250.01035275896751     
  O     10.48979632      9.13056017     -8.67731023
  H     10.41788603      9.75667281     -9.41768240
  H     13.76350278     12.11811591    -13.42098750
  O     14.18278842      9.18607420    -16.63630024
  H      9.61189471      9.03269076     -8.31571768
  H     18.28297951     10.73081399    -11.02997084
  O     11.60311696      7.28282512    -10.68559531
  H     13.73352250     10.05026491    -16.61504712
  H     17.02846609     10.51136164    -10.15134532
  O     14.57650035      8.90734448    -13.88449585
  H     14.70537550      9.16415572    -17.43315884
  H     15.76550028      8.12507132    -12.62227665
  O     12.76311593     11.49661387    -16.42866859
  H     12.52999385      7.23390149    -10.40825875
  H     16.76166643      8.69337860    -11.58828006
  O     11.96332315      8.26755970    -13.24176675
  H     11.15470151      7.76841250     -9.98617651
  H     12.18586465     15.52690826    -12.10492347
  O     15.01138873      8.38866693     -7.34718347
  H     14.56581273      8.94190996    -14.84874682
  H     12.06174885     14.23637307    -11.25775718
  O     13.39059402     10.23877407    -10.66435860
  H     13.69078307      8.63333316    -13.60264452
  H     15.00631907      7.63037536    -10.56931935
  O     12.81094245      9.96866758     -7.21239012
  H     11.83870316     11.22052581    -16.46968944
  H     14.58493249      7.78278317     -9.06632040
  O     14.93368775     13.63747696    -10.86899451
  H     12.86481996     11.96777109    -15.59181147
  H     11.47586866     11.39706760    -13.61781922
  O     10.71399678     10.82976889    -10.79818915
  H     11.50232782      9.11560464    -13.27262733
  H     10.37136850     10.67656224    -14.43465559
  O     12.94513400     12.48959903    -13.77291166
  H     11.77416027      7.86309167    -12.38345146
  H     13.67139796     11.43089194     -9.36747090
  O     17.36724529     10.46740460    -11.06343864
  H     15.16703728      7.90776208     -6.53905970
  H     14.30853905     12.82755453     -9.34221569
  O     16.25458442      7.90585962    -11.81776582
  H     14.19899124      8.91070695     -7.21560990
  H     16.02201345     11.03724124    -12.12445956
  O     12.51416064     14.63568249    -12.02236763
  H     14.00080406     10.55298029    -11.34052327
  H     15.01630266     10.43891341    -13.14163421
  O     14.25094638      7.67656284     -9.96443117
  H     13.65295048      9.34012183    -10.42353707
  H     10.60745263      9.42344803    -16.22980597
  O     10.71752840     10.79989667    -13.54265257
  H     12.00883468      9.69497351     -7.67590698
  H      9.40864849     10.20457322    -16.82277101
  O     13.87316872     12.17393690     -8.77399886
  H     13.04097718     10.84774677     -7.53367628
  H     15.58940250     11.23703445     -8.49073402
  O     15.20353159     11.22698381    -12.60517074
  H     14.20488323     14.12415736    -11.27546027
  H     16.00055429      9.80350975     -8.11853939
  O     10.16470700     10.29159166    -16.24930196
  H     15.15801270     12.94530347    -11.49914971
  H     11.03207287     12.54610958    -10.17072270
  O     16.30395030     10.59647103     -8.57810208
  H     11.65516045     10.58765095    -10.77807740
  H     12.18107900     13.08839268     -9.30815685
  O     11.44992517     13.36561486     -9.87149983
  H     10.46818380     10.83657114    -11.73169401
  H     12.50604750      8.23765546    -16.32362710
  O     11.61930596      8.01204263    -16.01777821
  H     12.76053325     13.28880530    -13.26214913
  H     11.69425513      7.89098588    -15.06044822
          69
 Energy    -250.01028495858861     
  O     13.16568551     13.25065287    -13.01276932
  H     13.77933283     12.94889869    -13.70211346
  H     17.29993211     10.79691386    -17.47298010
  O     19.30679000      9.35676825    -12.67531796
  H     13.24661098     14.20036950    -12.98363048
  H     11.35899649      9.00581886    -16.36453777
  O     16.08742789     10.58015090    -11.72180012
  H     19.10336010      9.22964285    -13.61315300
  H     11.63937421      9.70240423    -15.02692688
  O     14.03969637      7.69718822    -14.66348403
  H     19.09026405     10.27578008    -12.48316926
  H     16.75837042      9.49255504    -14.64290242
  O     14.58814707      6.32359387    -12.31189560
  H     16.02160993     10.22401783    -12.62319507
  H     15.28972451      8.99579592    -14.47451186
  O     18.52643857      7.15062147    -11.33360200
  H     16.84715051     11.17201081    -11.73382875
  H     12.70156321     10.97410216    -16.78351322
  O     14.86020672     12.21766100    -14.95821332
  H     14.29456774      7.12356957    -13.92818886
  H     12.81248488     12.13027828    -17.80098746
  O     17.75607982      6.42207217    -16.01875747
  H     13.31365261      8.23953254    -14.32979414
  H     13.19962637      9.52847674    -10.30525418
  O     15.96499752      8.06096772    -10.59427796
  H     13.66123958      6.34438467    -12.04653677
  H     14.20484966      8.43005866     -9.89475072
  O     15.75918621     10.21135576    -17.92189562
  H     15.05117821      6.93110967    -11.71530899
  H     18.45477524      9.67558670    -16.01060065
  O     17.13619535      5.82908429    -13.44982706
  H     19.26925706      6.80714488    -10.84471981
  H     18.27263096      8.15628159    -15.65092929
  O     18.18614557     11.07357271    -17.17260555
  H     18.83575909      7.95744770    -11.78472567
  H     16.66829386     12.71608475    -14.90961735
  O     11.60165423      9.84836177    -15.98439128
  H     15.20385388     11.33880852    -14.73701004
  H     17.91584848     12.21253828    -15.64856259
  O     15.89202315      9.72580886    -14.28741491
  H     14.35083415     12.11168864    -15.77114905
  H     18.88599614     12.79992245    -11.95850585
  O     13.32686089     11.58141908    -17.21442943
  H     18.23582606      5.68807585    -16.39301839
  H     18.16873694     12.30892862    -13.23575372
  O     13.26975582      8.67024641     -9.86434600
  H     17.52056014      6.16661327    -15.10833194
  H     14.30423378     10.85368284    -11.57185630
  O     18.42221300      9.03791307    -15.28575256
  H     16.84748423      7.68115390    -10.68570109
  H     13.13848750     11.78128219    -11.96475218
  O     17.63332625     12.69212813    -14.86086908
  H     16.03956582      8.96927758    -10.92292235
  H     12.48017987      9.80938102    -12.76811062
  O     18.40708551     12.06135628    -12.32453269
  H     15.61255091      9.27824171    -17.70424714
  H     11.84661434      8.39709441    -12.77023238
  O     13.33817945     10.91456610    -11.58444521
  H     14.92375547     10.66339104    -17.76730438
  H     12.34593785      7.55853669    -10.82448638
  O     12.04663798      9.15460757    -13.33393420
  H     17.67505981      6.22190291    -12.75176785
  H     11.22943968      6.50984235    -11.05242515
  O     11.92818152      6.98476898    -11.49375247
  H     16.23683490      5.80228638    -13.10146422
  H     14.79682607      7.55827207    -16.34817518
  O     15.37860056      7.59257536    -17.11946341
  H     18.67408864     11.32511746    -17.95159636
  H     16.17967959      7.12663670    -16.85245048
          69
 Energy    -250.00820914920081     
  O     13.40617663      6.65037206     -7.94872214
  H     12.62703642      6.44949123     -8.49741864
  H     12.13041677      7.74397435    -15.48960252
  O     14.24016518      5.33973995    -15.74880501
  H     13.12794449      6.57336298     -7.04001349
  H     16.32551581      8.28559412    -11.82349316
  O     17.36323990      6.58484321    -14.12711140
  H     14.95437733      5.83575551    -16.16727281
  H     15.12205919      8.15511409    -12.79724361
  O     15.80012665     10.88691945    -14.03037352
  H     14.66154314      4.79639238    -15.07275210
  H     13.60080768      6.55461612    -12.31907558
  O     10.20182549      6.18790011    -13.09475283
  H     16.89313196      7.30883312    -13.68661542
  H     13.04332380      7.26571194    -13.58317569
  O     17.18215580      3.87061782    -11.17306779
  H     17.18345440      6.67781879    -15.07068708
  H     11.20690158      5.36183883    -10.12847746
  O     11.11828867      4.12230688    -11.62984224
  H     16.46358634     11.51863974    -13.76633657
  H     10.85221445      6.85361254     -9.99898749
  O     16.88456439      7.53189333    -10.28989755
  H     15.94700676     10.08353051    -13.50050932
  H     14.35475021      4.55923596    -12.44054617
  O     12.96557346     10.85287408    -13.67312078
  H     10.76285903      6.42257651    -13.84707169
  H     12.91469868      4.46293334    -11.78013971
  O     15.16582663      9.31847850    -16.32568409
  H     10.16331102      6.96052646    -12.51841392
  H     15.97355677      7.82257283    -16.62015715
  O     12.35120132      9.53088696    -15.96001441
  H     17.86251285      4.53944543    -11.31713493
  H     16.75135804      6.92613502    -17.61478981
  O     12.07436369      6.88491222    -15.05325498
  H     16.62718274      4.22004415    -10.46417053
  H     16.25664956      3.92645135    -12.77314448
  O     16.01212019      8.52884848    -12.70484699
  H     10.73757150      4.81068975    -12.20606904
  H     16.28295498      5.07252285    -13.78753684
  O     13.54379395      7.40727848    -12.77053689
  H     10.56752253      3.34993001    -11.71821807
  H     19.80299158      6.14628708    -11.98641874
  O     11.26592869      6.11697110     -9.53251177
  H     17.68778305      7.15184378    -10.66528307
  H     18.44324440      6.25896813    -12.70990143
  O     13.77989693      4.88759137    -11.73514303
  H     16.34908389      6.77511654    -10.00573451
  H     11.05270535      8.78927549    -11.10586075
  O     16.40658034      6.95600956    -16.72652847
  H     13.91548877     11.00864917    -13.74697918
  H      9.52525526      8.88417502    -10.89350867
  O     15.78137684      4.28474457    -13.53815054
  H     12.81621622     10.51943571    -12.77914124
  H     14.75673577      5.69941966     -8.84943459
  O     18.86014981      6.13774269    -11.84060723
  H     15.46220444      9.92403927    -15.63553268
  H     14.75787421      5.15901774    -10.29188344
  O     10.22892491      8.27348068    -11.09813116
  H     14.20203284      9.36509550    -16.31844435
  H     14.14799391      8.22630035     -8.72475386
  O     15.33626650      5.34961785     -9.53635702
  H     12.49172071     10.01877739    -15.12822056
  H     15.41049483      8.65611884     -9.48797344
  O     14.53265013      8.95556960     -9.22877705
  H     11.75010030     10.05178772    -16.48608153
  H     12.95397894      8.72626879    -11.78808262
  O     12.68391639      9.46915379    -11.22350535
  H     12.77578492      6.31086521    -15.39871913
  H     13.29539918      9.45422776    -10.47443925
          69
 Energy    -250.00790429074240     
  O     14.92633129     11.27174196    -11.51588496
  H     15.12467947     11.23222714    -12.46271576
  H     14.37549321      8.89283863    -16.73906916
  O     14.62885183      6.48534959    -14.84792829
  H     15.77177455     11.12772107    -11.07458576
  H     18.18045691      5.24496630    -14.85620966
  O     16.20404051      5.28679330    -10.90549767
  H     14.81951711      5.62715923    -14.45222276
  H     18.48841633      3.78999852    -15.27651838
  O     20.15133130      7.53086075    -12.79118620
  H     15.25435451      7.10256931    -14.43507504
  H     18.74511660     10.43370752    -13.59862407
  O     13.23384953     10.02573837    -15.61073125
  H     15.45447913      4.97215805    -10.38564035
  H     19.39662601      9.28871343    -12.77511371
  O     12.22209461      6.77093012    -10.12496349
  H     16.19776661      6.25352248    -10.83258967
  H     16.11688383      9.08546476    -13.81842081
  O     12.57490594      7.99892884    -13.84260266
  H     19.67974685      6.77065980    -12.40603108
  H     16.36691115      8.07175417    -12.66932332
  O     16.10682617      8.01772213    -10.86374193
  H     21.07267824      7.41663230    -12.57213789
  H     13.15868369      4.05785953    -11.40808351
  O     17.70129824      8.90749870    -16.92510883
  H     12.47795439     10.52198260    -15.91504644
  H     13.72366332      3.95150622    -12.83256846
  O     11.04075997      5.98035784    -12.62814332
  H     12.89719558      9.36135093    -14.98638042
  H     18.64373993      4.80974404    -12.80541030
  O     18.47801169      7.01231869    -14.98084695
  H     12.65832451      7.59695079    -10.37532918
  H     17.99328317      5.23387466    -11.47923336
  O     15.00419530      8.22781658    -17.04056668
  H     11.67096371      6.53628835    -10.88136189
  H     15.73669235      4.62793880    -12.55406144
  O     18.05811820      4.31374402    -14.60547293
  H     13.25884212      7.42090285    -14.21597815
  H     16.32457781      4.12213577    -13.88915636
  O     19.00613336     10.16895427    -12.70927643
  H     11.91131007      7.40614284    -13.46891685
  H     13.54102408      4.19223782     -8.83227190
  O     16.37812518      8.17535875    -13.62854909
  H     15.18321040      8.29777683    -10.95259659
  H     13.23459985      5.40259268     -9.74618947
  O     12.89755271      4.01238469    -12.33663440
  H     16.61898700      8.79348217    -10.60376523
  H     17.98083915     10.29721601    -15.95344266
  O     18.81222299      5.29339383    -11.98795296
  H     18.08285751      8.16688784    -16.43799013
  H     18.53844568     11.73297350    -15.80100581
  O     15.49468933      4.25965083    -13.41723726
  H     16.77009635      8.68360762    -17.07099357
  H     13.88362186      9.82663216    -11.34388850
  O     13.77121794      4.59309410     -9.66601734
  H     10.18828363      5.58805149    -12.79693594
  H     13.23388399      8.69464215    -12.20772277
  O     18.08271458     11.04012311    -15.33078424
  H     11.68401357      5.24873661    -12.60152563
  H     18.04327413     10.39046893    -11.27857933
  O     13.53335749      8.92335820    -11.31887969
  H     19.22499821      7.19469325    -14.39739827
  H     18.01020980     10.82326368     -9.79380340
  O     17.48294061     10.42837284    -10.48282410
  H     17.71523636      7.42715729    -14.54631797
  H     14.81315137     10.64508012    -14.79766680
  O     15.54847935     10.78672041    -14.18860783
  H     14.85711022      7.46849135    -16.46114435
  H     16.34283176     11.01801429    -14.68722716
          69
 Energy    -250.00740210465372     
  O     13.13093667     11.06154213    -15.55876940
  H     13.91566694     10.65158873    -15.93994756
  H     14.46466212      7.16579775    -10.52610713
  O     15.90344164      4.93642075    -16.56867213
  H     13.34203336     11.22040583    -14.62728041
  H     13.72041846      9.24355631    -13.34958230
  O     13.24033734      6.52610152    -11.67265577
  H     15.44332111      5.74996926    -16.84315952
  H     14.81673158      8.28735884    -13.87450839
  O     16.82864352      5.24953805    -10.22620732
  H     16.12768967      4.46531060    -17.36660334
  H     16.02286029      9.40160622    -15.69731616
  O     13.94788087      3.73545338    -14.75559547
  H     13.43791500      7.17225478    -12.36915254
  H     16.26363561     10.35716432    -16.88548849
  O     10.72647456      9.81142423    -15.39024772
  H     12.30503744      6.31203932    -11.75809992
  H      9.85258038      5.57711493    -12.00936283
  O     14.61460403      7.22460297    -17.21324346
  H     17.59453846      5.58462493    -10.70695549
  H     10.85012014      5.68218312    -13.18828122
  O     13.92528844      9.99603027     -9.19666548
  H     16.32359571      6.02810748     -9.95596748
  H     10.51292437      7.98789555    -12.60349187
  O     18.76781259      6.35948893    -12.09286597
  H     14.38151000      3.86802855    -13.90247509
  H     10.57247366      9.19990596    -13.57857269
  O     12.28027374      7.50309037    -15.72837651
  H     14.56495205      4.06705201    -15.41689977
  H     15.74305671      4.65401587    -11.58544200
  O     17.01502863      5.70587157    -14.14481795
  H     10.07168122     10.26437361    -15.91450427
  H     14.42667071      5.22165151    -12.16205229
  O     15.17526400      7.58588327    -10.01853522
  H     11.56101660     10.30356497    -15.49639535
  H     12.29278970      4.50176732    -14.68273235
  O     13.88954671      8.32917204    -13.61092598
  H     13.72638722      7.25754181    -16.83107382
  H     11.70694107      5.85402894    -15.14027086
  O     15.59709281      9.81856071    -16.46494136
  H     14.96955123      8.11474423    -17.11404924
  H     11.01829217     11.18162109    -10.57641354
  O     10.55292420      6.11587167    -12.36605224
  H     13.12095431     10.13185799     -9.72177011
  H     11.27390008      9.91466231    -11.42048309
  O     10.57774761      8.94981141    -12.64709107
  H     13.72874798     10.29495473     -8.31161371
  H     16.76289513      7.49749309    -14.36404979
  O     15.17849789      4.65032244    -12.37084579
  H     19.67017748      6.08726794    -12.23998792
  H     16.82864164      8.69141074    -13.38451863
  O     11.50318667      5.05826045    -14.63089146
  H     18.26040269      6.07633335    -12.87161095
  H     14.46216137     11.13397853    -12.32739614
  O     11.68976795     10.54189412    -10.80049240
  H     11.62571006      8.20769984    -15.78953066
  H     12.92586589     10.99341352    -12.18029725
  O     16.58512790      8.44531297    -14.28750242
  H     12.85033933      7.74789510    -14.98313775
  H     16.44158497     10.37361809    -11.28434864
  O     13.63998552     11.01784599    -12.82669407
  H     16.77254037      5.38607025    -15.02329884
  H     15.27814949     10.80004202    -10.37003886
  O     15.79774406     11.07810438    -11.13428143
  H     16.35553413      5.34701512    -13.53085996
  H     17.89134117      7.99363224    -11.67400851
  O     17.21117908      8.67347761    -11.59627844
  H     14.78052979      8.36320359     -9.60724369
  H     16.49666339      8.28238552    -11.07077300
          69
 Energy    -250.00736912754149     
  O     18.41926215      9.43716984    -11.07067075
  H     17.72097689      9.00854877    -10.54890515
  H     15.18835978      9.36829284     -9.02640161
  O     13.41302249      6.61205473     -8.83916404
  H     18.68512773     10.21071808    -10.56110001
  H     18.89311736      4.99021367    -13.71997391
  O     18.64820507     11.53070053     -9.24454860
  H     13.77737791      6.91374881     -8.00027824
  H     18.05250751      4.54886915    -12.50355181
  O     12.15543074      8.99364012     -9.77869829
  H     12.87914814      7.34762646     -9.16722307
  H     15.08137705      6.41918182    -11.57415531
  O     16.90722497      9.45389806    -13.36030220
  H     19.08671246     12.36668849     -9.11175279
  H     14.57200140      6.08442870    -10.11763867
  O     19.77463353      7.07520929    -11.45742512
  H     17.71325361     11.73059427     -9.43073299
  H     21.14444534      6.24562105    -14.24013210
  O     20.47948009      7.28836437     -8.68374795
  H     12.48692868      9.10986376    -10.68834740
  H     20.16160599      6.64529925    -13.11480766
  O     17.92262821      5.10673116    -10.70859347
  H     11.23587273      9.24352537     -9.78683471
  H     16.35214169      7.51805895     -6.71597474
  O     13.23481669      9.34776756    -12.20190786
  H     17.51348239      9.48110351    -12.60635816
  H     17.81091696      8.04745144     -7.01310118
  O     16.02866547     11.92720624     -9.86853476
  H     17.34359418      8.96853252    -14.07566564
  H     17.36742385      7.05044765    -15.27825234
  O     15.18084295     11.40924638    -12.57304062
  H     19.11229457      6.41625229    -11.20132902
  H     18.82808836      7.33186002    -14.88756673
  O     14.52266135      9.91821904     -8.58191959
  H     19.36468887      7.94740151    -11.36452837
  H     16.05995538      7.46852354    -10.02537558
  O     18.10356255      4.49560667    -13.46686526
  H     20.02396394      6.49305378     -8.38348211
  H     16.83956704      7.90731052     -8.75874733
  O     15.31305957      5.99702292    -10.73517443
  H     20.44316795      7.24626349     -9.64667310
  H     19.61031932      8.70049129     -7.86642338
  O     20.21774935      6.34271779    -14.03819973
  H     18.17964441      4.98464994     -9.78651004
  H     18.87954211     10.06619154     -7.97510763
  O     17.22270321      7.27302359     -7.04909673
  H     16.98041479      5.33217413    -10.70956521
  H     15.67557805      8.08462538    -13.15473742
  O     18.01728186      7.75858111    -15.19229783
  H     13.80315168     10.11850119    -12.31904126
  H     15.25769210      6.74079174    -13.79679895
  O     16.47675145      8.22630210     -9.59505328
  H     13.70941764      8.60238533    -12.59310031
  H     18.76633981      4.47527830     -7.30670287
  O     18.97285543      9.28256166     -7.42413744
  H     15.73969918     11.80767672    -10.78120081
  H     18.09481787      5.83952537     -7.58699757
  O     15.00932993      7.38346176    -13.11996768
  H     15.43688830     11.38643970     -9.32986202
  H     14.53322973      8.82600805     -7.13306777
  O     18.64883490      5.14192846     -7.97866916
  H     15.09406931     12.09511331    -13.23105955
  H     14.10670454      8.33162406     -5.73271202
  O     14.57012647      8.06945311     -6.52442229
  H     15.81473442     10.76238059    -12.92872780
  H     15.79916226      4.96257283    -15.59329782
  O     16.12077168      5.59159547    -14.95346043
  H     13.66871732      9.70673068     -8.98208336
  H     16.78550422      5.12793930    -14.41249077
          69
 Energy    -250.00633906118924     
  O     15.42007445      4.70956779     -8.22249445
  H     15.20800628      5.58738013     -7.88384372
  H     13.17717768      6.44091898    -14.07220254
  O     19.45788221      7.64709317    -12.78889481
  H     14.66155938      4.45720952     -8.76739519
  H     15.80315240      5.67688170    -11.71372876
  O     13.85292827      7.79734815    -13.13525338
  H     19.22239917      7.27117780    -11.92201677
  H     14.51359867      5.63970945    -10.85262692
  O     17.42168194      9.60090500    -13.38263821
  H     20.38303801      7.87385149    -12.74616799
  H     16.84046649      4.26476503     -9.13927309
  O     16.42012936      7.97736921     -9.57465394
  H     14.31087462      7.26606070    -12.46469763
  H     18.08870594      3.35757124     -9.20505514
  O     18.69922319      6.61619924    -10.39047107
  H     13.52243577      8.57930115    -12.67986164
  H     12.77259237     10.76565221    -11.53108505
  O     11.13815949      4.54653873    -12.78114973
  H     18.15405151      9.01010907    -13.16870264
  H     14.15330570     10.09257472    -11.33203163
  O     16.30403237      4.19154596    -15.99082206
  H     16.93447710      9.16798631    -14.09228009
  H     12.09051408      7.32663619     -9.79699878
  O     14.58175777      7.36890170     -7.54246166
  H     15.96202462      7.40241556    -10.20746140
  H     12.83578799      8.65378783    -10.07506110
  O     14.51062216      6.27387215    -16.88590631
  H     15.93109320      7.88736888     -8.74901158
  H     15.19543170      7.89204778    -14.38054979
  O     17.82142804      5.98026717    -14.33919850
  H     18.44663662      5.71566492    -10.16348398
  H     16.52852163      7.18006305    -14.79648818
  O     12.96491677      5.64635540    -14.58574095
  H     18.01205232      7.18165593    -10.00952483
  H     16.13217197      9.54391152    -10.53952674
  O     15.11963224      6.23119347    -11.31634404
  H     11.63380914      4.94990582    -13.50722535
  H     16.40246492     10.09342700    -11.95829935
  O     17.58372884      3.99264929     -9.70605931
  H     11.58895223      3.71622392    -12.58865253
  H     10.15944086      5.77350153    -10.04868523
  O     13.19767028      9.91865887    -11.43253437
  H     16.97978846      4.74694009    -15.58035507
  H     11.00890126      5.47792572    -11.30379200
  O     12.69921581      7.96687361     -9.41086265
  H     15.71890769      4.80159505    -16.45682361
  H     17.07390752      4.01608589    -11.48915149
  O     15.86484668      7.82870101    -15.07750103
  H     13.87904323      7.58571198     -8.18201155
  H     16.09881548      3.86248814    -12.73589935
  O     15.84237995     10.20872409    -11.17735439
  H     14.33210920      7.77081686     -6.71492166
  H     12.55550485      4.84146589    -10.07012546
  O     11.03569657      5.87057004    -10.41349066
  H     15.00472438      6.91235057    -16.34218664
  H     13.26181501      3.61479570    -10.70317910
  O     16.85503722      4.34100638    -12.37183966
  H     14.38074547      6.68131298    -17.73819309
  H     13.59674548      2.66621360    -12.77493334
  O     13.38778243      4.35204991    -10.09302651
  H     18.49844552      6.54324824    -13.94385271
  H     12.87644665      1.44992886    -12.14659968
  O     12.95708722      2.39859168    -12.09252951
  H     17.54666924      5.37279144    -13.63552901
  H     14.05723927      4.25346315    -14.04329980
  O     14.65663363      3.50648739    -13.90212914
  H     13.32419685      5.79115246    -15.46892100
  H     15.26710430      3.53284854    -14.65346610
          69
 Energy    -250.00535435692851     
  O     12.26912486      9.75165449    -11.47773257
  H     12.03787298     10.68729638    -11.53079152
  H     11.83035291     13.10455200     -8.59801181
  O     10.89990350      7.71096343    -14.57002966
  H     11.53627959      9.28741981    -11.05473281
  H     12.23085602      8.76012000     -7.62619173
  O     11.74193927     12.48714078    -11.48663302
  H     10.54493566      7.29198720    -13.77575379
  H     12.78442712      7.56701095     -8.44599521
  O     14.65340673      9.50036718    -10.19232178
  H     10.59798133      8.62894044    -14.56572588
  H     12.81315488     10.49132495     -5.85026238
  O     13.04601013      6.18409474    -11.66492015
  H     12.45081639     12.80418839    -12.06048480
  H     13.38985796     10.81866704     -7.24332799
  O     14.22784228     15.07708380    -10.56802311
  H     11.95736917     12.79647944    -10.59851346
  H     13.84928418      6.54379091    -10.17568673
  O      8.67274441     10.64436950     -9.71205986
  H     13.78005970      9.59554347    -10.60435609
  H     14.84665843      6.12672770     -9.06844511
  O     13.99717101     13.37144674    -12.82877985
  H     14.70665698      8.58920314     -9.88269280
  H     15.72450867     10.84941134    -12.92641029
  O     16.25576113     13.12304635     -9.88946658
  H     12.09027096      6.11050855    -11.76896793
  H     15.44881834     10.63610035    -11.42210333
  O     10.21663135      8.36691738    -10.15779142
  H     13.32614055      6.79378561    -12.36024285
  H      9.93142651     10.81606749    -15.47648499
  O     13.36355221      8.26372968    -13.54339562
  H     14.15215190     16.00579799    -10.36409663
  H     11.24614432     10.89923672    -14.68013558
  O     12.64073788     13.43274706     -9.01630901
  H     13.60601464     14.61162780     -9.98326740
  H     10.07017701     12.00855544    -11.96035560
  O     11.97109836      7.97973411     -8.13070704
  H      7.74813074     10.77717065     -9.51992713
  H      9.50922789     11.07636748    -13.03574824
  O     12.64586106     10.39469655     -6.78521174
  H      8.81781882     10.95735562    -10.62396328
  H     11.11370142     11.34858694     -7.55376592
  O     14.29191321      6.84452380     -9.36085713
  H     14.61759086     12.67502447    -12.56524607
  H      9.92787939     11.52396729     -8.53930905
  O     15.72980135     11.29685992    -12.07044425
  H     14.11538815     14.09356291    -12.19972838
  H     13.19931534     12.36365881    -14.24943865
  O     10.34985673     10.52130071    -14.67013711
  H     15.72735333     13.89279797    -10.13164143
  H     13.65834372     11.01864870    -14.80958443
  O      9.28385749     11.49384024    -12.19684163
  H     16.27677637     12.56061952    -10.67457276
  H     14.64621131      9.23571265    -14.19029729
  O     10.56209694     12.00548261     -7.99580205
  H      9.61150377      9.08599462     -9.94040762
  H     15.78013855      9.54586186    -15.19828212
  O     12.88882392     11.59578286    -14.74468368
  H     10.77444702      8.18865462     -9.38347828
  H      9.51954716      5.79723247    -11.91305697
  O     15.25346574      9.93052721    -14.50273794
  H     12.59732329      7.98963524    -14.06902775
  H     10.13108216      7.11319497    -11.38085917
  O     10.20804975      6.43710378    -12.07588334
  H     13.00581879      8.83115518    -12.84326866
  H     14.62230724     10.76783581     -8.94248102
  O     14.61019402     11.53662615     -8.35252876
  H     13.33569105     12.79944571     -8.78819151
  H     15.29374430     12.12969816     -8.69555786
          69
 Energy    -250.00527784360997     
  O     15.85768604     12.89783336    -17.92368396
  H     15.37113556     12.59563350    -18.68579211
  H     19.14304394     12.72870533    -17.90727602
  O     19.72156226     17.41710363    -14.58686490
  H     16.80141837     12.87557336    -18.16779540
  H     20.80900465     14.71275732    -13.12260906
  O     19.79018087     10.98818421    -14.16451404
  H     19.68942156     18.09256070    -13.89893323
  H     20.76072616     16.10495193    -13.83674038
  O     16.22174983     15.89614060    -12.55180229
  H     18.80688208     17.15570353    -14.76942125
  H     17.26935212     14.83738403    -11.45548691
  O     16.23303719     12.06398200    -11.73234706
  H     18.87159967     10.70804716    -14.07487235
  H     18.22197593     14.82980434    -10.23360830
  O     14.43387948     13.78875855    -13.17031405
  H     19.90244648     11.69478122    -13.51394400
  H     16.13341895     11.67133029    -14.89781135
  O     20.20954978     12.51574177    -16.42046174
  H     16.53577819     16.15402442    -13.43076047
  H     15.73786154     12.53320092    -16.16830131
  O     22.28581112     14.34919988    -15.79253526
  H     15.50458619     15.26778400    -12.69813083
  H     21.28577514     15.70561363    -16.72187289
  O     17.50053289     17.89958739    -11.02340711
  H     16.81083469     12.69594243    -11.28503217
  H     20.39157126     16.86505960    -16.23692085
  O     19.65670693     13.41309115    -12.71263355
  H     15.50121015     12.59056279    -12.07593152
  H     20.69085202     17.80510244    -11.48680102
  O     16.26000402     15.82622105    -17.61554458
  H     14.84264817     13.38165074    -13.95348380
  H     21.34231769     16.44798078    -11.81141995
  O     18.47142645     13.00864854    -18.54354910
  H     13.49095520     13.77699479    -13.31404421
  H     18.76218068     18.73102936    -11.89586948
  O     21.35499125     15.44315018    -13.45200491
  H     20.15202106     11.86200442    -15.70652768
  H     19.52622679     20.03763824    -12.22060521
  O     17.77310927     14.25629146    -10.86667119
  H     20.98352772     13.06682297    -16.25222954
  H     19.87404430     16.44185005     -9.93202202
  O     15.76368334     12.51151714    -15.20154942
  H     23.23418239     14.24792382    -15.81095336
  H     19.41615754     16.28457591     -8.46249623
  O     20.66590766     16.37822465    -17.02534208
  H     22.06071426     14.71538914    -14.92051537
  H     16.72543907      9.52693075    -13.57364479
  O     21.06708746     17.01413166    -11.08013498
  H     16.93436010     17.29220277    -11.51751438
  H     16.76309172     10.95786038    -12.98771210
  O     19.54785129     19.09276425    -12.34451484
  H     17.93547673     17.36880854    -10.34469042
  H     18.84762533     13.44817376    -15.61273711
  O     19.12182354     16.19483327     -9.36469985
  H     19.11536844     13.56211290    -13.50435378
  H     17.37880134     13.38173472    -15.07533528
  O     16.97285055     10.42557866    -13.77696562
  H     19.09126236     13.63896494    -11.96371552
  H     19.04478124     16.27534533    -19.69515803
  O     18.21476831     13.85991169    -15.00994424
  H     17.09530987     15.89110694    -18.09853448
  H     19.47959690     16.02823287    -18.23400327
  O     18.80999696     15.79954278    -18.90277113
  H     15.99166455     14.90499569    -17.69597569
  H     16.76773791     16.37278273    -15.93734042
  O     17.22693770     16.37215112    -15.08736323
  H     18.65336683     13.93683935    -18.74058644
  H     17.65788210     15.50244927    -15.04212900
          69
 Energy    -250.00437752153113     
  O     15.13599991      6.21166416     -8.16737099
  H     14.25500803      5.85798598     -8.38663396
  H     11.12739022      7.79718368    -14.86720639
  O     13.70305840      5.06972240    -16.00329624
  H     15.26392621      6.07476169     -7.23272637
  H     12.36012099      6.61000461    -13.78797447
  O     16.80469822      7.16677001    -15.39257147
  H     14.46184535      4.69698042    -15.53947834
  H     12.30015079      5.70604306    -15.03442843
  O     14.34350813     11.16386661    -14.19987579
  H     14.05698253      5.78394643    -16.54796897
  H     16.14675032      8.71795468    -12.75358635
  O     10.58115747      5.33283736    -11.99026863
  H     16.36707957      7.77708527    -14.77654562
  H     15.31656278      9.70410694    -13.68326026
  O     16.53635590      5.50029901    -10.49728987
  H     16.28363770      7.19875183    -16.20364821
  H     13.14819778      7.83195009    -11.98267915
  O     12.46992158      3.41920105    -11.03029956
  H     14.47195516     12.10769978    -14.21632411
  H     14.24035166      7.79670399    -13.08449698
  O     17.20327996      8.04901441    -11.43480750
  H     13.49706085     11.00082900    -13.74344265
  H     12.61975491      4.55461101     -9.51406534
  O     12.01476205     10.49428800    -13.03671810
  H     10.85214313      5.55221155    -12.89073974
  H     12.00668915      5.90616811     -9.10728285
  O     18.19761723      4.56324220    -12.62400175
  H     11.12469431      4.58196916    -11.71971932
  H     18.27404501      7.18118258    -14.31481991
  O     13.43047949      9.35177488    -16.27789406
  H     16.16675820      5.65926053     -9.62039065
  H     19.75056907      7.47308122    -13.97443718
  O     10.92827025      8.73158826    -15.04675419
  H     15.80127555      5.19963229    -11.05134426
  H     14.11341723      5.66425694    -12.31966380
  O     11.74375334      6.20293340    -14.41870493
  H     12.55247644      2.47439806    -11.12779405
  H     15.00588338      4.61280977    -13.03122455
  O     15.63482898      8.80014945    -13.57031980
  H     13.22686378      3.81829756    -11.49477344
  H     14.33849926      8.06231656    -17.01651837
  O     13.53081843      7.28274382    -12.67776519
  H     16.96547458      7.17338623    -11.09366445
  H     14.82964760      7.43024430    -18.33989065
  O     12.70605730      5.28017966     -8.88389800
  H     17.92548292      7.88958620    -12.05484736
  H     16.31605704      5.45783190    -14.81989404
  O     18.92074675      7.20036117    -13.59017481
  H     12.11468026     10.03856702    -12.18913227
  H     16.86355096      4.37005260    -13.88659895
  O     14.48628140      4.77379518    -12.23237803
  H     11.54917497      9.89254914    -13.62978284
  H     10.58508891      6.45809886    -10.66097097
  O     14.84856452      7.32258110    -17.39266985
  H     17.77350947      4.76565072    -11.77987769
  H      9.81170170      7.13146330     -9.50199577
  O     16.11040960      4.58585202    -14.45637359
  H     18.59725179      5.39256390    -12.91296875
  H     15.05386643      7.89906376     -9.03633690
  O     10.68350742      7.02295634     -9.87290469
  H     13.80408421     10.01570232    -15.68783641
  H     15.78932298      8.66648095    -10.14627405
  O     14.99608757      8.68108830     -9.60031024
  H     12.54697934      9.16441130    -15.93712547
  H     11.87397843      8.37880180    -10.32435277
  O     12.50806173      8.97313794    -10.74454274
  H     10.04727155      8.75878055    -15.41145304
  H     13.34347680      8.94383720    -10.25278121
          69
 Energy    -250.00429054398603     
  O     -5.53167601      3.45999980      1.84954722
  H     -5.06274324      3.57787675      2.69702346
  H     -3.25817017      6.15080147     -2.20221508
  O     -2.46469110     -1.83850172     -1.24673354
  H     -6.46036279      3.39484192      2.05325191
  H     -0.85904767      0.17430182     -3.22081108
  O     -0.22796382      5.18026528     -0.68883182
  H     -1.53653670     -2.06726981     -1.38159301
  H      0.28703726     -0.58299486     -2.53131777
  O     -2.59824001      2.67583165     -1.79643755
  H     -2.66767875     -1.16781554     -1.91064380
  H     -1.87460685      2.12717080      3.65687602
  O      0.43042563     -0.76054891      3.90914360
  H      0.03180298      4.32749298     -1.06267686
  H     -2.36497030      0.94111042      4.50829072
  O     -1.44311483      2.60662338      1.99374293
  H     -1.09159276      5.38018764     -1.06825994
  H     -1.66169990      5.85455047      2.81807500
  O     -2.45895540     -0.89465466      3.97991276
  H     -1.64280016      2.60125898     -1.64604111
  H     -2.35868753      6.96582876      3.63617601
  O     -2.80082261      0.27803525     -3.16416165
  H     -2.79358882      3.61878560     -1.86207814
  H     -3.42480944      2.11608789     -0.27668980
  O     -2.58136424     -0.68642026      1.23508767
  H      0.54093052     -0.91929360      2.96451183
  H     -4.40145971      2.32499998      0.94213041
  O      0.24790421     -0.83382355      1.03497978
  H     -0.51169674     -0.89165403      4.07219572
  H     -3.52425205      4.67782650      3.89515590
  O      0.67610078      1.90088057      4.72239719
  H     -2.24112944      2.44612914      1.47546475
  H     -3.47616291      3.20580956      4.37634877
  O     -2.92933879      5.44506333     -1.65225968
  H     -1.20062975      3.53946084      1.93391489
  H      0.25739298      1.74684318     -2.07731043
  O      0.08275420      0.22550797     -3.01799031
  H     -2.99703582     -1.61569762      4.29707892
  H      0.53139202      2.24300276     -0.62803980
  O     -2.18616296      1.88831127      4.54525066
  H     -2.55481285     -0.88187722      3.01260697
  H     -3.53886941      5.90777656      1.58876754
  O     -2.51904218      6.14860219      3.17109572
  H     -2.82163555      1.14768149     -2.73302356
  H     -4.63300275      4.94141530      1.09627375
  O     -3.67558433      1.78954161      0.59841079
  H     -3.36714936      0.33881315     -3.92974634
  H      1.56526833      2.36043023      1.63343983
  O     -4.07168459      3.90203106      4.06685483
  H     -3.01148347      0.15999359      1.05235191
  H      0.09645776      1.98575359      1.41885313
  O      0.14790289      2.49897746     -1.47726416
  H     -2.63244837     -1.19970803      0.41489076
  H      0.43301087     -1.69321223     -0.50074679
  O     -4.02277920      5.62851797      0.80233098
  H      0.62832358      0.05649358      1.01946331
  H      0.98846781     -2.83851468     -1.37807613
  O      0.99339777      1.81329810      1.08567933
  H     -0.71027108     -0.73330675      1.12696669
  H      2.74977188      3.88419902      3.42606880
  O      0.39067941     -2.09570668     -1.38538301
  H      0.74929599      0.96821015      4.47180256
  H      1.48543897      3.03606159      3.70517108
  O      1.90392797      3.63877153      3.06192396
  H     -0.26064990      2.02908575      4.90876894
  H     -0.17316649      5.23174705      1.07024679
  O     -0.26905228      5.14005961      2.03185489
  H     -3.34364746      5.55188258     -0.77669677
  H      0.53064055      4.73102345      2.38547208
          69
 Energy    -250.00410287452195     
  O     17.97398180      8.66958253    -11.46197267
  H     17.27461055      9.13179855    -11.95110338
  H     14.77638991     10.13545075     -7.18813417
  O     12.39120109     11.17655838    -13.47626560
  H     18.18799009      9.23754202    -10.70789328
  H     13.28252895     10.91273603    -11.85254168
  O     12.38736197      8.37332683    -13.99175474
  H     13.05314713     11.35520669    -14.16822367
  H     13.67359370      9.81036581    -10.80716159
  O     16.11817131      6.89158776    -10.40305079
  H     11.67100189     11.78391971    -13.62485878
  H     18.06984636      9.74024100     -7.89420120
  O     18.40050458     10.58634814     -9.49284449
  H     12.28038078      9.31682528    -13.82501663
  H     16.89973300      9.95089490     -6.92351884
  O     19.97079325     12.13685654    -11.23588918
  H     13.30523564      8.25325781    -14.27018147
  H     17.33307140     12.10486360    -14.52213569
  O     15.91123718     11.86027520     -9.59334438
  H     16.29571510      6.79133996     -9.45955806
  H     16.89320353     12.85138152    -13.20602583
  O     12.16358715      6.49709660    -12.06151645
  H     16.83712557      7.42427154    -10.77106501
  H     16.98949025      7.75781372     -7.42030077
  O     16.00163443      9.50070197    -16.53199271
  H     19.03685849     11.14541937     -9.95423119
  H     16.84214910      6.27733354     -6.99575085
  O     14.90683192      5.85597341    -12.75134750
  H     17.53766006     11.02199212     -9.56448583
  H     15.24760150     10.20803059    -12.16925685
  O     15.15924723      7.99458044    -14.45691130
  H     20.86222755     12.47369132    -11.21833631
  H     16.21119286     10.83158727    -13.20800535
  O     15.24890010     10.96641866     -6.99924038
  H     19.92906969     11.48211770    -11.95584593
  H     19.20020808      9.52090308    -12.66109226
  O     13.88077586     10.70243261    -11.12456596
  H     15.17055445     11.53036341    -10.12082076
  H     19.23776848     10.32322919    -13.98520410
  O     17.62886942      9.35201782     -7.12563420
  H     15.67865794     11.69004844     -8.67136274
  H     18.84557089     11.03574184    -16.35886298
  O     16.57834980     12.44223116    -14.02687937
  H     12.14872660      7.15778972    -12.77804921
  H     17.54092005     10.32803562    -15.94208272
  O     16.51537700      6.92827440     -7.61090142
  H     11.36105340      5.98884415    -12.13587383
  H     14.48648330      7.71104005    -10.35056072
  O     15.97237504     10.00338848    -12.77444447
  H     15.79661916      9.10589277    -17.37588691
  H     13.01056877      7.54141828    -10.79549800
  O     19.67835781     10.21398472    -13.13532378
  H     15.71125822      8.86666712    -15.85207829
  H     18.29828148     13.02845827    -11.42257619
  O     18.31004186     10.81054375    -15.60092137
  H     13.97327155      5.89027828    -12.51061444
  H     16.85997116     12.96637786    -10.85655552
  O     13.60252264      8.10102216    -10.27844854
  H     15.39400810      6.04932065    -11.93926664
  H     14.73272623     10.92305200    -15.86700442
  O     17.39133045     13.31809596    -11.58180530
  H     15.44099575      8.68708860    -13.83951013
  H     15.03278995     12.07845937    -14.90684369
  O     14.30682179     11.61331215    -15.34962226
  H     15.15447011      7.16224428    -13.96313677
  H     14.85476780      7.90576752     -7.47403975
  O     14.14223103      8.55072842     -7.56343393
  H     14.81089879     11.36797520     -6.25367340
  H     13.78466765      8.41545051     -8.45085350
          69
 Energy    -250.00405196193299     
  O     19.26335150     10.19393183    -14.09449235
  H     18.45897308     10.04174732    -14.61226318
  H     20.41787746      6.77475197    -14.28827832
  O     21.90234666      7.28889420    -11.51279020
  H     19.80937133      9.40612112    -14.20607419
  H     19.29493176      4.57866998    -14.77631283
  O     15.64984510      7.78946430     -9.89335725
  H     21.62374506      6.35768296    -11.58276051
  H     20.68889245      4.53871950    -15.43219358
  O     12.30710799     10.20201137    -12.20211283
  H     22.83460686      7.28590162    -11.31286741
  H     13.86016595     10.18608486    -13.27030556
  O     16.92454469      9.52005150    -15.45157404
  H     15.37448418      7.07401424    -10.48604023
  H     15.36084629      9.90258344    -13.00445773
  O     11.59153541      7.60114920    -13.20500239
  H     16.42318003      7.48988494     -9.40104943
  H     18.77841167      7.58414430    -13.15625796
  O     18.38177321      5.35662452    -10.93737745
  H     11.76221920     10.94174119    -11.94721245
  H     17.47188313      8.14666548    -12.51456187
  O     14.54629277      5.93356115    -11.68935149
  H     12.56847932      9.75031871    -11.37964671
  H     14.97573479      6.93556616    -14.63406675
  O     20.91688372      4.80387373    -11.91274874
  H     16.10716064      9.78836123    -15.01341192
  H     14.36117840      8.20580915    -14.00431633
  O     16.47457830      4.02004724    -12.44516282
  H     16.84946568      8.56906792    -15.59177636
  H     18.74336243      7.64279769     -9.12750185
  O     17.59273742      3.93797550    -14.89742127
  H     11.68299869      8.53289511    -12.96907037
  H     18.33940305      6.98330847     -7.78528645
  O     20.47689077      7.66454137    -13.91916148
  H     12.40072864      7.37778102    -13.68618160
  H     12.53594319      7.89381691    -10.13665125
  O     20.20003680      4.92003666    -14.70587988
  H     18.28542034      5.77479484    -10.07492172
  H     13.90647720      8.51657939     -9.82436302
  O     14.68991661      9.95386132    -13.70420211
  H     18.18924645      6.04633290    -11.59349357
  H     19.65354312      9.41299209    -10.47433167
  O     17.91031976      7.33885899    -12.80986983
  H     14.46915564      6.40572096    -12.53175900
  H     20.60113761      8.18931496    -10.47516438
  O     14.22401342      7.25376679    -14.11890817
  H     13.65135090      5.87163888    -11.33333939
  H     19.26666902     11.77998533    -11.37326052
  O     18.09488520      7.05006271     -8.70415532
  H     20.04801871      4.87626951    -11.48990547
  H     19.15625210     10.67475419    -12.45249016
  O     12.98372678      8.73876447    -10.00256636
  H     20.74068086      4.70172000    -12.85515056
  H     17.08656418      6.87330433    -14.34018914
  O     19.88501156      8.61289883     -9.98676636
  H     15.71711589      4.57243406    -12.21278560
  H     16.93474333      5.70838300    -15.32599614
  O     19.04906193     10.86083324    -11.50051150
  H     17.16909543      4.28859263    -11.82812671
  H     11.66076330      6.67487738    -11.71941078
  O     16.69583049      6.63117231    -15.19531915
  H     17.27154716      3.16303126    -15.35058644
  H     11.10652917      5.70352235    -10.64843144
  O     11.86024854      6.24347772    -10.86835773
  H     17.16953880      3.93998062    -14.01869709
  H     17.35212827     10.10247400    -11.51843979
  O     16.57427728      9.58588790    -11.76021974
  H     21.05269620      7.61068111    -13.14461954
  H     16.27821750      9.06613674    -10.99969082
          69
 Energy    -250.00379592546051     
  O     15.36262749     11.85255404    -15.95295520
  H     16.21573606     11.93251985    -15.50829294
  H     16.71523021      9.77302657    -18.30389105
  O     13.46374747      5.56957340    -15.09189058
  H     14.73282504     11.49539292    -15.31787424
  H     16.74281411      8.68649015    -16.32432486
  O     18.77837558      8.02776117    -12.12435110
  H     12.84464624      4.84867465    -15.16560922
  H     16.65503100      8.91217245    -14.77700968
  O     15.82097205      6.85040883    -19.03796210
  H     14.20530285      5.36730194    -15.69211606
  H     12.38305698     10.95710755    -14.52914145
  O     15.07823378      8.88774273     -9.60071776
  H     18.31100997      7.20558949    -12.32984688
  H     13.28413807      9.76239052    -14.92372908
  O     14.60249459      6.49077221    -12.66482693
  H     18.63213391      8.16247224    -11.17731332
  H     17.33888678      4.46972302     -9.08422790
  O     17.07766584      9.84601099    -13.25530143
  H     15.05430798      7.44261921    -18.93737305
  H     16.27178019      5.42448166     -9.67375742
  O     17.73407508      5.95634147    -15.20244049
  H     15.78885210      6.50364470    -19.92610760
  H     14.59732207      8.29543361    -15.69554744
  O     14.65117909      6.07990238     -9.87399320
  H     14.70561353      9.58688961     -9.06900191
  H     13.37363175      7.35930311    -15.56599450
  O     19.25201450     10.10560290    -16.28524263
  H     14.86136899      9.09493696    -10.52445423
  H     19.31607922      7.11723623    -15.03239909
  O     15.55289124      5.14396841    -16.74722315
  H     14.53767931      7.45459362    -12.64380851
  H     19.71596892      7.96668509    -13.81882650
  O     17.31696411      9.06100226    -18.04735063
  H     14.17496697      6.17435723    -13.46909093
  H     16.33803777      5.95313014    -12.56262646
  O     16.33644068      8.36752597    -15.50782797
  H     17.48040955     10.62578311    -13.65501064
  H     17.36907719      5.37486537    -11.56490337
  O     13.25064402     10.58197775    -14.39922986
  H     17.76713379      9.29347507    -12.85932555
  H     17.74777316      7.06169737     -9.46015909
  O     17.21946821      5.19945501     -9.68571861
  H     17.22794259      6.77875016    -15.29317034
  H     16.96298053      8.38192591     -9.49576804
  O     13.62873084      8.26548980    -15.77467651
  H     17.65072728      5.68877786    -14.27665778
  H     15.34347388     11.37729960    -17.61122594
  O     19.85695581      7.87147963    -14.76878467
  H     14.48635579      6.08557745    -10.82689837
  H     15.38182527     11.81302114    -19.09574894
  O     17.26380126      5.68255078    -12.47320157
  H     14.70293730      7.01119938     -9.62315173
  H     14.02518897      9.79115539    -12.88532123
  O     17.85620491      8.01914481     -9.52450405
  H     18.75174265      9.75165232    -17.03010804
  H     15.51413579      9.52405042    -12.57645837
  O     15.37160246     11.04763233    -18.52754259
  H     19.55925436      9.34182616    -15.77357151
  H     18.48914371     11.32659922    -15.38103453
  O     14.61089595      9.30658863    -12.29307630
  H     15.65201174      5.66351725    -17.55364710
  H     18.54367551     12.70375160    -14.67180017
  O     17.98435079     11.94690860    -14.82088016
  H     16.38469858      5.24153620    -16.26331700
  H     14.24764683      9.52551706    -18.62421818
  O     13.83846328      8.65282816    -18.56115021
  H     16.97390089      8.25091596    -18.44473928
  H     13.62504129      8.52837950    -17.62674519
          69
 Energy    -250.00344747287460     
  O     16.97970433      9.09595860    -13.53087957
  H     16.34912198      9.15564868    -12.79641311
  H     12.36406217      9.82952001    -12.73475870
  O     12.93158486      6.61918316     -8.82088763
  H     16.78958431      8.26613746    -13.98747080
  H     11.23991778      8.40578708    -11.40773370
  O     17.15413402     11.70583571    -14.26008884
  H     12.71128683      6.27615857     -7.95971753
  H     10.24718102      9.59197558    -11.36362861
  O     11.50693792      6.69434998    -11.30088442
  H     12.84159818      7.58938162     -8.77171583
  H     18.53280027      3.52331173    -11.18961990
  O     16.41976616      6.58637027    -14.54514624
  H     17.12069575     10.74775982    -14.09218132
  H     18.08104137      4.98783600    -11.00180971
  O     19.12757450      8.21971461    -12.00963744
  H     17.49216019     11.81992050    -15.14427934
  H     15.08356442      7.51634982    -10.90198310
  O     19.68637575     10.45369555    -10.39532145
  H     11.94989986      6.51133757    -10.46304076
  H     14.44828997      6.56705723     -9.83860571
  O     17.90640506      6.56167804    -10.10266230
  H     11.93396468      6.14724602    -11.97040942
  H     15.27944773     13.85808356    -10.34022047
  O     12.83544725      5.18823712    -13.33237766
  H     17.36192896      6.36530455    -14.49149792
  H     15.16017928     12.77291163    -11.43767783
  O     14.64721054     12.33142657    -13.03224641
  H     16.00156653      6.01025181    -13.89198323
  H     19.25794731      6.72446181    -13.21439844
  O     13.70796295      7.62635063    -14.61326022
  H     19.47062808      8.95358287    -11.48561777
  H     18.80122982      5.26394995    -13.12660855
  O     13.12632699      9.98969943    -13.30668671
  H     18.42063050      8.58763269    -12.55962272
  H     14.37166478      9.43710445    -12.13386215
  O     11.17596539      9.37827841    -11.40225688
  H     19.14908398     11.13312957    -10.84165524
  H     15.13667375      9.67123842    -10.78356650
  O     18.07143401      4.23832103    -11.62070555
  H     20.47787539     10.88615661    -10.08689987
  H     17.29988467     12.55927465    -11.19199613
  O     15.16032420      6.64486543    -10.48395438
  H     18.30236664      7.14409956    -10.76869729
  H     17.87538619     12.14980982    -12.56032917
  O     15.55840809     12.97604808    -10.57113828
  H     16.94263929      6.61832097    -10.18852413
  H     16.05129065     10.14137767     -8.98206699
  O     19.00361898      5.96596723    -13.75660684
  H     13.73640281      4.94199255    -13.06566544
  H     15.36264781     11.43361370     -9.55928757
  O     15.09735377      9.12381771    -11.57824719
  H     12.48152720      4.44664335    -13.81796969
  H     15.28131121      5.47582844    -11.77570270
  O     18.10472101     12.25587709    -11.62910806
  H     15.43511950     12.18315925    -13.56943632
  H     16.28106170      4.43637935    -12.31383970
  O     15.20152925     10.54449193     -9.21892606
  H     14.05087160     11.59204760    -13.21125383
  H     18.34829693      9.68941298     -9.28852861
  O     15.43398360      4.85365560    -12.50608395
  H     13.29322591      6.83817361    -14.24319837
  H     17.72420590      8.31158207     -9.03106089
  O     17.60978083      9.24936666     -8.84831253
  H     14.61601854      7.36758377    -14.80814799
  H     13.53410845      9.79962946     -8.95176928
  O     12.70621090      9.29988988     -8.93144120
  H     13.26278854      9.20416257    -13.85859795
  H     12.22494639      9.50665071     -9.74091324
          69
 Energy    -250.00201368979299     
  O     15.96656585      5.08291325    -12.66101523
  H     16.07692912      4.90372863    -13.60326733
  H     17.88274754      5.97633880    -15.15805143
  O     15.85644614     11.51703959    -12.62413838
  H     15.06127797      4.85307025    -12.41753168
  H     14.62795399      8.25477250    -16.02329350
  O     18.31288592     11.35305451    -13.73570098
  H     15.90091661     10.90102801    -11.88060106
  H     15.83020629      9.22442149    -15.91179056
  O     10.40967915      7.57665519    -15.44192841
  H     15.02247119     11.36015648    -13.08270143
  H     16.10384173      6.95747512    -12.75698965
  O     16.16996872      7.31086232     -9.00579650
  H     18.66931465     12.21433260    -13.93377193
  H     16.29604025      8.38747034    -12.13032002
  O     12.28183312      6.47385848    -13.72562412
  H     17.42849414     11.49624184    -13.34941568
  H     14.46246492      7.02335429     -9.75669968
  O     13.57402098     10.73718873    -14.17494898
  H      9.51953319      7.30056099    -15.23661235
  H     13.49368295      7.59633310    -10.82588215
  O     12.97702764      9.94202372    -17.96564004
  H     10.99171504      7.13567925    -14.80209888
  H     18.47762309      6.26144616    -11.21021804
  O     16.26305161      4.95301992    -15.45333640
  H     16.77709982      6.78235311     -9.55546504
  H     17.17835877      5.44393177    -11.32094275
  O     17.38747043      9.06429544    -15.02989519
  H     16.42999129      7.17640428     -8.09852162
  H     13.39283615      5.41809672    -11.16450257
  O     14.04657138      6.49349994    -15.90364540
  H     12.59433271      7.27414114    -13.27371972
  H     12.93873143      3.94393144    -11.31897366
  O     18.60865093      6.56846431    -14.93407497
  H     12.49374037      5.73645438    -13.14219311
  H     19.37882022      8.73510110    -11.94716846
  O     14.89592035      9.17426640    -16.15428796
  H     14.11123428     10.23771223    -14.80537438
  H     19.01101509     10.18669944    -12.35973954
  O     16.03632638      7.90395341    -12.92867254
  H     12.69436825     10.77501598    -14.57669648
  H     19.34213089      6.76898904    -13.35016853
  O     13.64475026      6.84513563    -10.23703180
  H     13.73274636      9.74915705    -17.38436676
  H     20.62273903      6.62695071    -12.50029576
  O     17.75077268      5.90003315    -10.68876899
  H     13.29506415     10.53363648    -18.64254802
  H     17.49764403      9.57286945    -10.88680573
  O     13.29948216      4.68328676    -11.80041315
  H     16.28073930      4.23905344    -16.08607884
  H     16.40495869      8.88629221    -10.00395935
  O     19.11714884      9.59792523    -11.60223608
  H     15.49750600      5.50746833    -15.68122811
  H     12.34930950      8.13030586    -17.97410581
  O     19.72190464      6.94030004    -12.47127698
  H     17.79242019      9.87547403    -14.69939145
  H     11.42446323      7.31333306    -17.05505208
  O     16.54112733      9.50523294    -10.72982969
  H     16.91248592      8.66364026    -14.28207699
  H     11.73366021     10.30597253    -16.52278283
  O     12.12968024      7.22768727    -17.70995763
  H     13.44486653      6.62905679    -16.65146750
  H     10.90691199      9.45742719    -15.54667404
  O     11.28176318     10.33735061    -15.66986763
  H     13.49100886      6.43911587    -15.11500177
  H     14.33489751      8.32600663    -12.63807327
  O     13.42152768      8.59290987    -12.45058753
  H     18.28908100      7.46088980    -15.13094985
  H     13.30327207      9.42506501    -12.92458480
          69
 Energy    -250.00181443522334     
  O     14.64928689     10.05831445    -10.77422769
  H     14.49531219     10.48569835    -11.62840359
  H     12.36144510      7.95333393    -10.44993956
  O     13.08245771      9.90419386    -16.66698231
  H     15.51496218     10.33406069    -10.44812473
  H     18.77724635      7.72560634    -13.52818319
  O     16.90432810     10.27774604    -14.15670545
  H     13.16368802     10.81362365    -16.35378989
  H     18.23933541      7.39960237    -14.93734427
  O     13.18615077      5.19097448    -12.52211708
  H     12.88958247      9.37002067    -15.88597738
  H     14.71005194     12.31968077    -15.96420205
  O     16.90516142      8.21243502     -8.36999427
  H     17.41301986      9.91186953    -13.42497951
  H     13.58801011     13.37617933    -15.80556762
  O     16.27032407     11.73143599    -16.51067346
  H     16.01447338     10.46289750    -13.82358297
  H     13.60584049      7.80028091    -14.33464727
  O     15.60624364      7.63083199    -11.84062078
  H     13.78141679      5.08913379    -11.76530666
  H     12.36107099      8.18461396    -13.50210581
  O     14.26560871     10.80717303    -13.39363591
  H     13.74446341      5.43817666    -13.26851575
  H     15.26777387      9.25836652    -18.91152562
  O     18.08054045      8.80142113    -12.01482069
  H     16.09125264      7.72326061     -8.21257543
  H     14.54102386      9.53212194    -17.57205812
  O     17.31274931      4.89057173    -13.47112163
  H     17.51883422      7.60419598     -8.81032106
  H     10.63098158      7.03760821    -12.04997222
  O     17.58122050      4.21731418    -10.88245054
  H     16.11245452     11.00335680    -17.12492354
  H     12.07136461      6.49054524    -12.19925204
  O     12.85589817      8.25391898     -9.67906283
  H     16.69485412     11.33780102    -15.73680515
  H     14.03965538      6.54628966     -7.27828257
  O     18.82058146      7.07400334    -14.23729923
  H     15.43544984      6.86042290    -11.28295730
  H     13.82378313      7.27852139     -8.62606540
  O     13.81938149     12.47471636    -15.60051303
  H     15.17650911      8.39463864    -11.43647570
  H     15.89952697      4.83912123    -10.44502565
  O     12.94695692      8.49473914    -14.20389369
  H     13.78512919     10.00894523    -13.65900603
  H     14.88773557      5.63859193     -9.54400706
  O     15.41598417      9.40887913    -17.98193075
  H     14.04553577     11.49273808    -14.03616801
  H     18.34281747      5.83188487    -10.26252219
  O     11.54794032      7.30087526    -12.06113234
  H     17.25244017      8.29259526    -11.99614457
  H     18.68680507      7.26729752    -10.71450146
  O     14.45008708      6.72972344     -8.11897811
  H     18.00838963      9.43340550    -11.28772704
  H     15.57653364      6.98580758    -14.94059905
  O     15.04527034      5.29001018    -10.43096543
  H     16.47481754      5.19185092    -13.83213199
  H     15.24560918      6.94793928    -13.42241297
  O     18.60537188      6.70306821     -9.93995923
  H     17.96034135      5.55789252    -13.74508759
  H     17.15042467      9.66449505     -9.23152978
  O     15.01201525      6.55673652    -14.28180441
  H     17.50838707      4.39701322    -11.83819488
  H     17.70935845     11.10776859     -9.31876455
  O     17.28705316     10.42369673     -9.83061720
  H     17.99864113      3.36527445    -10.79154137
  H     16.32752445      8.41587132    -16.69141144
  O     16.68544205      8.08966854    -15.85728957
  H     13.38673250      9.00737106     -9.97431926
  H     16.75533496      8.86254423    -15.27695932
          69
 Energy    -250.00138913836105     
  O     16.01683967      5.96892821    -13.21603162
  H     16.66702219      6.09640048    -12.51371182
  H     19.26742427      5.77200042    -12.51848203
  O     18.91169999      9.15397619    -12.41384675
  H     16.33974080      6.49223467    -13.96804238
  H     18.42446864     11.08461679    -17.76082667
  O     18.58406378      5.56355126    -17.41781726
  H     19.69025988      8.84317047    -12.89174247
  H     17.20359468     10.20221296    -17.41285583
  O     15.84492901      4.57677767    -17.59613455
  H     18.35200296      9.58058159    -13.07810395
  H     17.72354333      7.47574815    -15.66314949
  O     15.12121694     11.00999438    -10.57995114
  H     18.86247943      4.95671951    -16.71817755
  H     16.19099504      7.45193361    -15.97390053
  O     13.86235150      7.69614250    -12.98761428
  H     17.68245602      5.30331311    -17.63489102
  H     13.89165214     10.46435147    -14.90628647
  O     17.30947991     10.10614192    -14.46865178
  H     15.59066826      3.81588109    -18.11089373
  H     13.12266108      9.45946186    -15.77189174
  O     19.16703191      3.84817137    -15.22200117
  H     15.95028524      4.27299292    -16.67601114
  H     15.78452150      7.67348714     -9.48675158
  O     14.30983137      8.28098227    -10.20846221
  H     14.95662388     11.79935295    -10.07162310
  H     16.52296078      7.09878085     -8.25410366
  O     19.41130595      7.95820221    -16.43797123
  H     16.03569338     10.73466625    -10.38796678
  H     13.04133227      7.52652802    -14.57159078
  O     16.33113728      3.83725428    -15.04083923
  H     14.58489478      7.05126012    -13.01825204
  H     11.80387073      7.22851325    -15.44501042
  O     19.87115662      5.52133018    -13.22954352
  H     14.24119998      8.58148786    -13.09920775
  H     21.76719106      8.25778895    -14.33307374
  O     18.13767068     10.37675062    -17.19079912
  H     17.05417959      9.19417974    -14.68654677
  H     20.38067202      8.02691419    -14.98003645
  O     16.84638256      7.53634270    -15.26766398
  H     17.65350215     10.46416798    -15.29350880
  H     17.62238468      6.81359997    -10.57333842
  O     13.54031497     10.32754413    -15.79587876
  H     19.74145890      3.08790126    -15.18614057
  H     18.29434251      7.53471640    -11.76851048
  O     16.66269607      7.45069303     -9.12884808
  H     19.42948229      4.42974913    -14.48622414
  H     17.39993908      9.16567206     -9.63079817
  O     12.70995917      7.52427386    -15.48509538
  H     14.43240657      9.23623126    -10.27928248
  H     18.16077738      9.80722932    -10.81239690
  O     20.86098307      8.03760228    -14.13335237
  H     14.00643429      7.98695159    -11.07556110
  H     15.35396551      8.90130392    -17.74555868
  O     18.03495746      6.66438808    -11.43281831
  H     19.20076654      7.17394207    -16.96874541
  H     14.87269193     10.18540918    -17.07051829
  O     17.58892843     10.00928247    -10.06046504
  H     19.01583649      8.74420661    -16.83657072
  H     15.71138714     10.36510432    -13.66464162
  O     15.55136672      9.84338739    -17.66982596
  H     17.29322686      3.74794277    -15.03577182
  H     14.88744364     10.66182181    -12.37877770
  O     14.82800831     10.30727817    -13.27413577
  H     16.11904804      4.45314830    -14.32767456
  H     14.09711266      7.17709122    -16.68523688
  O     14.90837361      7.15534420    -17.21044218
  H     20.30839327      6.33535768    -13.50652282
  H     15.11485926      6.23595636    -17.42339464
          69
 Energy    -250.00126793368491     
  O     11.73521797     10.69887607    -15.59933922
  H     12.24180979     11.48381681    -15.35992995
  H     18.96054649      8.24129098    -12.68847664
  O     16.12914362      6.83003332    -13.24665088
  H     11.26080494     10.41279676    -14.80907972
  H     16.02695000     11.63913488    -16.53731389
  O     16.88276450     10.88557734    -11.46148956
  H     15.24501664      6.75491913    -12.86262250
  H     15.00741034     11.06372308    -17.53162778
  O     17.35399405     10.80968751    -15.56321485
  H     16.69284237      7.21215754    -12.55659715
  H     14.66630030      8.98302076    -15.09716823
  O     13.34288220      8.57966119    -16.22093235
  H     17.63327736     11.10457347    -12.02813330
  H     15.65629989      8.38988819    -14.05026641
  O     13.45272826      9.25057627     -8.99855799
  H     16.08055903     11.12883170    -11.94588389
  H     10.93965482      8.55632835    -13.68236763
  O     13.67214434      7.03535392    -12.00553085
  H     16.68637080     10.22190445    -15.17349806
  H      9.62547735      9.22732679    -13.21162195
  O     14.59430068     11.31811435    -12.96343114
  H     17.95368939     11.05350354    -14.85126606
  H     16.47755034      8.49087581     -8.72438841
  O     17.42571126      8.61502203    -17.30680553
  H     13.82003034      8.71601800    -17.04818232
  H     15.81014785      7.12554245     -8.98190989
  O     13.97123943      6.60173560     -9.22594406
  H     12.74670241      9.33737806    -16.10147142
  H     12.42192568      7.50212229    -14.97185916
  O     17.99307002      6.67135916    -15.27171424
  H     14.28068613      9.73358261     -8.88917797
  H     12.50001763      6.94131959    -13.52437888
  O     19.42761682      8.48332634    -13.50186964
  H     13.11618826      9.48838105     -9.87461864
  H     19.85199387     11.62624985    -13.25242440
  O     15.18399364     11.82890838    -16.97344299
  H     13.75596945      6.71321195    -11.09963531
  H     19.25344107     10.20663390    -13.40453263
  O     15.37216332      9.20728290    -14.47447689
  H     13.41401475      7.96543039    -11.92960151
  H     17.35128657      9.06432306    -11.42788500
  O     10.55473643      9.38861071    -13.35008302
  H     14.24283895     11.97055514    -13.58068550
  H     17.42563400      7.82253367    -10.50355941
  O     16.66774793      7.56275635     -8.91101318
  H     14.85189501     10.54999517    -13.50032068
  H     16.38594819     10.64193036     -9.73233155
  O     11.88780844      7.19575531    -14.22600301
  H     17.60008132      9.42292555    -16.80442100
  H     16.41426270     11.06142741     -8.24829578
  O     19.02756434     11.14895235    -13.29465449
  H     17.60781449      7.89025706    -16.69724892
  H     15.00147735      9.14780405    -19.31055893
  O     17.65493363      8.14837257    -11.38549970
  H     13.49465193      6.07390668     -8.59076506
  H     15.87794395      8.98181273    -18.04760151
  O     16.07268817     10.40045289     -8.84608907
  H     13.71881339      7.53031240     -9.06751905
  H     13.35106849     10.33761109    -12.07418850
  O     15.00672936      9.27822727    -18.36610772
  H     17.28520955      6.61187056    -14.60915620
  H     11.94399122      9.67444105    -12.16457182
  O     12.76642677      9.68951186    -11.65918067
  H     18.29999278      5.77950653    -15.41964706
  H     14.12127702     12.52123474    -15.79189544
  O     13.55182212     12.84748279    -15.07074677
  H     19.07875347      7.90580215    -14.18935033
  H     13.37562454     13.76597835    -15.25545099
          69
 Energy    -250.00010012444997     
  O     16.95880859      9.61844371    -11.03123681
  H     16.65050958      9.15946044    -10.23182956
  H     13.57129636      9.70702954     -7.54668348
  O     14.25672973      5.83314126     -7.10426011
  H     16.56634085     10.49803966    -11.01017635
  H     19.07193466      5.22281147    -12.61374493
  O     15.44286061     11.95596442    -10.67904456
  H     13.54340207      5.84502781     -7.75150445
  H     18.83496511      4.82747527    -11.15018625
  O     12.58128519      6.01031083     -9.47260607
  H     15.03991786      5.58339067     -7.61442916
  H     17.18246073      5.56209492     -9.26102972
  O     15.19860360      8.09081730    -12.57290284
  H     15.47495414     12.85099814    -11.00830849
  H     15.74762876      5.45539360     -9.87691623
  O     19.37255570      8.36956037    -11.12698538
  H     15.48504991     12.01132420     -9.71066661
  H     19.51307727      7.46462689    -12.65959054
  O     20.39854058      9.62787575     -8.83233616
  H     13.24337911      5.82910037    -10.16026046
  H     20.24700014      7.11660120    -13.97311465
  O     18.89042215      5.96844896     -9.66480577
  H     11.77757266      5.57582044     -9.74735799
  H     17.97580665     10.02207300     -7.03502376
  O     15.65604329     12.02076970     -7.91249932
  H     15.85246680      8.61231476    -12.08779778
  H     17.45417766     11.25367958     -7.78106755
  O     13.43223767      9.98791112    -11.44991507
  H     15.67370544      7.66036482    -13.29849132
  H     17.67524026      6.75239742    -14.10305411
  O     13.15967067      8.74231797     -9.03347163
  H     18.53328315      8.85159929    -11.18591867
  H     16.53523115      5.72123693    -14.01242838
  O     14.05381597     10.13454129     -6.82397948
  H     19.86305340      8.78560245    -10.40691450
  H     16.03891806      7.30172178     -8.96556584
  O     18.70495128      4.52353201    -12.05823798
  H     21.17785044     10.13310589     -8.61522495
  H     14.98434304      8.44612579     -8.89629816
  O     16.24060273      5.51132160     -9.04728824
  H     19.64331699     10.10214641     -8.44086709
  H     14.55912180      7.09042966     -5.91038166
  O     19.48196397      6.89648544    -13.44737630
  H     18.99964158      6.75374151    -10.21633030
  H     14.46792660      7.52068272     -4.43002060
  O     18.26029840     10.76610941     -7.58594754
  H     19.21517274      6.22597871     -8.78949618
  H     15.04575225      5.03847297    -11.91149328
  O     16.74103375      6.61741063    -14.30481912
  H     15.58930268     12.78704249     -7.34761598
  H     14.76028291      6.55015670    -11.71530394
  O     15.93208895      8.26175544     -8.92594113
  H     15.09524827     11.33526304     -7.50626998
  H     20.04668400      8.00347890     -7.77382600
  O     14.77015769      7.80839752     -5.28723301
  H     13.92120403      9.34759181    -11.98542246
  H     18.85702609      7.54044323     -6.91900612
  O     14.61347632      5.67471989    -11.32724953
  H     14.04031386     10.71582501    -11.27637740
  H     16.82259515      8.42839769     -7.36579303
  O     19.65935904      7.22480465     -7.35670883
  H     13.13848964      9.19554314     -9.89029163
  H     16.53713617      8.21094168     -5.87661173
  O     17.24558221      8.42578213     -6.49245712
  H     12.83083369      7.84646578     -9.16711066
  H     17.09904693      4.16541883    -12.61719344
  O     16.20213658      4.08570450    -12.98978117
  H     14.29022224      9.42536873     -6.21529009
  H     16.14502158      3.21949807    -13.38386047
          69
 Energy    -249.99940813054951     
  O     13.04769642     14.34416484    -13.98790780
  H     12.41982832     15.06056429    -14.04288929
  H     14.16982433     10.54985257    -14.78484921
  O     16.99564314      8.52277511    -16.96941672
  H     13.23026950     14.06815873    -14.90262849
  H     16.28907371     10.11714696    -17.71425018
  O     15.02557144      9.26923217    -11.23546813
  H     17.34539873      7.80591919    -17.49298419
  H     16.17703955     11.64509523    -17.47556181
  O     18.00939430     14.36399618    -14.35001561
  H     16.23160889      8.16894552    -16.48293190
  H     12.67331098     10.89418380    -18.50508069
  O     14.91822806      7.74339940    -15.33980825
  H     15.57237455     10.06478594    -11.16839492
  H     14.09350885     10.99718279    -17.89417731
  O     14.01971606      6.81634515    -10.36512335
  H     14.19166833      9.52888082    -11.65032624
  H     12.74815465     11.67861167    -11.96195093
  O     15.53033954      5.26617616    -12.00488724
  H     18.54600347     15.15195984    -14.33669271
  H     12.92268918     13.09435294    -12.58207735
  O     15.65545713     11.23915397    -14.12709588
  H     17.19663652     14.57080806    -13.85305729
  H     17.78773462      9.29219107    -15.39760326
  O     12.57750400      9.86526693    -12.47944095
  H     14.31943888      8.50305118    -15.30038059
  H     17.57866569      8.90965213    -13.91308118
  O     16.46722870      7.73010703    -13.01479358
  H     15.43764745      7.74584498    -14.52132722
  H     14.11238689      5.51009365    -13.28701286
  O     18.72537618     11.93844730    -12.95581421
  H     13.15315008      6.89661097    -10.78182809
  H     13.82503709      6.40828751    -14.50335813
  O     13.39940206     10.05538534    -15.10990873
  H     14.42943453      7.68813041    -10.46346442
  H     14.80158435     14.06274915     -9.59234815
  O     15.82229624     10.91177264    -17.99737212
  H     15.87323142      4.48460946    -11.58089491
  H     14.26378462     13.32743112    -10.84682146
  O     13.14289991     11.09859127    -17.70145731
  H     15.01496408      5.74909326    -11.33275136
  H     16.08149883     12.38965180    -15.44448020
  O     12.99657341     12.58855238    -11.76192452
  H     15.74583499     11.50657020    -13.20506698
  H     17.06795394     13.52038788    -15.75135490
  O     17.89283044      9.61741758    -14.49544514
  H     16.41485771     10.66589077    -14.30673562
  H     16.13497560     12.36805044    -11.01173542
  O     13.39712970      5.86493053    -13.83025864
  H     12.74147096      9.91563064    -13.43260001
  H     17.33720182     11.74911002    -11.82153595
  O     15.04795219     13.76380496    -10.46266520
  H     12.17229550      9.00519114    -12.31260195
  H     13.38231984     12.84157014    -16.96098053
  O     16.40961347     12.95084558    -16.16441053
  H     16.34177449      6.82461070    -12.70752401
  H     14.67114259     13.54161023    -16.49058704
  O     16.47195693     11.56599285    -11.42705029
  H     15.99214023      8.29703983    -12.38797854
  H     10.88896379      6.77598568    -12.08191864
  O     13.70747970     13.62327560    -16.50024323
  H     18.57425636     12.72799506    -13.49041625
  H     12.27408509      6.70916411    -12.76627328
  O     11.74802296      7.18950772    -12.10242185
  H     18.64729397     11.18019276    -13.54802645
  H     14.82966843     14.73409138    -13.41004702
  O     15.69791166     14.84037154    -13.00326352
  H     13.17871133     10.40557839    -15.98079160
  H     15.57489583     14.59909226    -12.07710856
          69
 Energy    -249.99939520620214     
  O     20.69895448     12.30398100    -18.75986788
  H     21.27323142     12.89845715    -18.24604494
  H     19.05985152     17.89678294    -16.89325714
  O     17.09873209     17.13553199    -13.54609069
  H     21.24581497     11.92170876    -19.44172101
  H     15.10115901     12.97242140    -13.64678882
  O     22.83272708     13.19071960    -14.59232341
  H     17.97557558     16.84421626    -13.26372499
  H     15.50318015     11.56359936    -13.17713973
  O     16.11284293     14.54660221    -13.60650995
  H     17.24098269     17.64811790    -14.34964505
  H     22.24189938     16.20366193    -14.84683403
  O     16.69452839     12.19503499    -17.56680650
  H     22.69565962     14.10997908    -14.29693155
  H     21.37891274     15.84717339    -13.60551858
  O     17.07373834     10.66833663    -12.50641026
  H     23.55487233     12.83805071    -14.08077755
  H     19.00319754     12.94173758    -13.44404641
  O     14.85600335     10.70889834    -16.07311735
  H     16.29585959     15.49344675    -13.52037080
  H     17.97628997     12.31356350    -12.48456941
  O     22.32622344     13.93057511    -17.30078013
  H     16.89509123     14.08265392    -13.27585480
  H     18.00339343      9.96958560    -15.64894050
  O     22.26384889     16.74932664    -16.69684856
  H     15.97668305     11.67345832    -17.18632462
  H     16.47828254      9.87438441    -15.44309919
  O     20.08974115     12.73312374    -14.87444722
  H     17.51850887     11.77705058    -17.27769066
  H     16.13144007     16.19086286    -17.26528504
  O     18.30564457     13.73346371    -19.33631941
  H     17.23359544     10.26788386    -13.37978426
  H     16.78782591     16.85539822    -18.48976345
  O     19.70797084     17.38621401    -17.39755054
  H     17.07066179      9.95495406    -11.87382293
  H     19.23838299     14.93065817    -12.75375499
  O     14.85667631     12.03985706    -13.71289750
  H     14.77823192     11.22216621    -15.24835674
  H     19.35461510     15.58317464    -14.13991814
  O     22.26017289     15.75568860    -13.99227522
  H     14.00542989     10.30809090    -16.22907276
  H     16.98983104     18.09414255    -16.62090918
  O     18.39728268     13.15025008    -12.71737296
  H     22.59929728     13.58302297    -16.44259012
  H     17.24421477     19.48959985    -15.99881737
  O     17.32638859      9.66933253    -15.02969621
  H     22.31529668     14.88885705    -17.19674928
  H     19.66329375     11.28097145    -17.52058007
  O     16.20630752     17.03201575    -17.74124628
  H     21.38808605     17.06295012    -16.97712046
  H     19.44716219     11.55726740    -16.02684852
  O     19.54677733     15.72920982    -13.19986067
  H     22.89619574     17.39601820    -17.00134135
  H     18.14808107     14.94607776    -16.06312452
  O     17.57390957     18.59474346    -16.02153024
  H     21.03985889     12.78430533    -14.71593101
  H     19.37200699     15.81331227    -16.44534499
  O     19.11115733     11.03235903    -16.77015707
  H     19.82805054     13.55186369    -15.32501254
  H     18.29468390     15.44151988    -19.52184938
  O     19.08838293     15.08542666    -15.88348998
  H     17.63278384     13.22747287    -18.86486600
  H     18.28536167     16.60555723    -20.53948974
  O     18.30207840     16.41247612    -19.60608578
  H     19.14012841     13.27216629    -19.18638790
  H     16.41979897     13.78136114    -16.74893190
  O     16.39019784     14.65894529    -16.34642873
  H     19.28130720     17.10567987    -18.21925581
  H     16.18103109     14.56436273    -15.40696397
          69
 Energy    -249.99934154078537     
  O     14.99616160     10.03406514     -9.30485082
  H     15.60808725      9.53714706     -9.86843968
  H     13.62233603      6.38958852    -11.61937563
  O     17.41066831     12.34077672    -13.34134621
  H     15.34386099     10.93077902     -9.22347697
  H     12.30442101      7.88005913     -8.71439167
  O     11.33090894     10.57761815    -14.88961256
  H     18.18126982     12.76790833    -13.70497533
  H     11.73363607      8.73682449     -9.85282457
  O     13.24618964     11.57958605    -13.08006120
  H     17.70090337     11.86671770    -12.54109662
  H     14.38464955     12.85052887    -12.24635903
  O     15.50034363     10.59888150    -14.40367991
  H     10.43918455     10.81528649    -15.13068003
  H     15.89342060     13.11090602    -12.44066097
  O     16.09475983     12.57667861     -9.41900421
  H     11.33584665      9.61466407    -14.75328925
  H     12.88830084     10.43367337    -16.07951297
  O     16.79293466      8.55774892    -10.82717231
  H     14.03403869     11.20708070    -13.50416792
  H     14.41261705     10.34451060    -15.86604349
  O     13.60900744      4.22195673    -13.63121241
  H     12.50840153     11.37835926    -13.66831200
  H     15.10147679      6.86203750     -8.75237473
  O     18.00292734     11.09265515    -11.01059417
  H     15.73859252      9.71076355    -14.10073419
  H     15.05277107      6.00265283    -10.02259768
  O     13.36633607      7.95963569    -12.43547509
  H     16.21439885     11.19484949    -14.14769490
  H     11.10300166      6.44805628    -10.12652409
  O     11.00805067      5.48735062    -13.43491282
  H     16.21351932     13.34347670     -8.86577812
  H     10.30107039      5.13314937    -10.00524780
  O     13.67358059      5.51220935    -11.20644310
  H     15.70617595     12.88966393    -10.25625667
  H     14.64215014      6.48874581    -15.77811995
  O     11.57486902      7.93122790     -9.34453891
  H     16.55381756      7.76398339    -10.32590844
  H     14.70794073      5.38781574    -14.70326128
  O     15.14838356     13.29131303    -11.85312428
  H     16.61513004      8.36354965    -11.75759540
  H     13.19826479      7.23595718    -17.70625814
  O     13.70468110     10.12287825    -16.48758470
  H     13.84747222      3.29908978    -13.58116158
  H     13.55844693      8.41132407    -16.76609514
  O     15.66030455      6.46588771     -9.43099677
  H     13.74401713      4.59207535    -12.74249860
  H     11.25906606      7.03257348    -14.25859648
  O     10.94530377      5.58269453    -10.54543685
  H     17.73161508     10.16892075    -10.91897818
  H     12.16408861      7.62677454    -15.38627032
  O     15.24033028      6.04974341    -15.16034751
  H     17.50045927     11.58878359    -10.35361955
  H     14.32354763      8.80910241     -8.19532713
  O     13.36253338      7.45739257    -16.79334899
  H     13.09069680      8.67899182    -11.85380031
  H     14.05685728      8.20652947     -6.79769788
  O     11.61412706      7.85662864    -14.62531289
  H     12.75996798      7.93313746    -13.18614648
  H     15.01843346      8.07483376    -13.02799210
  O     13.93670256      8.04713918     -7.73073016
  H     11.80733928      4.96933853    -13.59244742
  H     15.89264104      7.34009021    -14.05458152
  O     15.90890463      8.06379944    -13.41358040
  H     10.90020734      5.52830318    -12.47641983
  H     13.44961702     10.14842900    -10.26034835
  O     12.65721057     10.08976449    -10.81304462
  H     12.79302827      5.35695861    -10.84199396
  H     12.78695676     10.70073946    -11.55109878
          69
 Energy    -249.99929778912210     
  O     14.39722905     10.74254246    -13.75045873
  H     13.62287509     10.74685186    -13.17501003
  H     13.64334669      4.12821040    -13.77488879
  O     13.39251865      9.33151939     -9.79146035
  H     14.20999312     10.09854963    -14.44667527
  H     14.48191571      6.38004915    -12.89473073
  O     14.92755495      4.63314100    -12.67763086
  H     12.87874422      8.52630434     -9.64343138
  H     14.77913407      7.71470058    -12.15915454
  O     11.39598207      2.23315827    -12.88540756
  H     12.92259131      9.83303398    -10.46787510
  H     11.27329515     10.99986770    -12.06368233
  O     15.76717852      8.45506660    -10.80933134
  H     14.62335559      4.66593002    -11.75695678
  H     11.77423145      9.55671009    -12.30223627
  O     13.75099662      5.20881067    -16.68494740
  H     15.88833299      4.71632610    -12.66996553
  H     17.36989537      5.51831626    -11.46468095
  O      9.53580829      4.33100435    -12.39120503
  H     11.33939497      1.36587662    -13.27854309
  H     18.42755495      4.73199345    -12.27677768
  O     16.86079353      9.97887501    -12.88788261
  H     11.95109867      2.77019987    -13.47561567
  H     17.53599679      6.75337030    -13.55099896
  O     12.10375704      2.90846651    -10.16291454
  H     16.20507341      9.10022593    -11.37666247
  H     17.26653839      8.27158188    -13.74172749
  O      9.99218933      4.83485746     -9.75893401
  H     15.00796369      8.87211892    -10.37348074
  H     13.44718381      4.09973231    -10.03386324
  O     11.95378197      6.85990384     -9.93087721
  H     13.06519590      5.87439450    -16.81581824
  H     13.39853207      5.64350886    -10.00913115
  O     12.91018588      3.96069500    -14.38550467
  H     14.58160527      5.69659824    -16.62580065
  H     16.39408097      6.88853146    -10.14945820
  O     14.25012575      7.31612474    -12.86220006
  H     10.03722604      3.52209898    -12.55850169
  H     15.78044366      5.51445871     -9.82012162
  O     12.06155124     10.46330747    -12.09960742
  H      9.78170984      4.93272949    -13.10463085
  H     16.67242201      7.03206988    -17.22940959
  O     17.65314116      5.28064630    -12.36704856
  H     17.46581302     10.71580158    -12.90792915
  H     16.57528659      7.08647794    -15.68883314
  O     17.40743423      7.44306657    -14.21396109
  H     16.00184848     10.31319927    -13.20161446
  H     12.55933284      7.63555573    -12.62019424
  O     13.99975391      4.89274901    -10.09605388
  H     11.35711396      3.46889375     -9.91603281
  H     11.18291445      7.17812191    -13.14382279
  O     16.62166525      5.96256483     -9.97654530
  H     11.90875004      2.58850200    -11.05184259
  H     14.09636611      8.07509650    -14.47632924
  O     16.05739805      6.95862608    -16.50438938
  H      9.75892431      4.70952625    -10.69632735
  H     14.72597662      8.08621519    -15.88246464
  O     11.60505518      7.79963029    -12.53921207
  H      9.19022711      4.71313260     -9.25762039
  H     12.52379219      7.84915273    -16.12896224
  O     14.00975933      8.46883568    -15.35908942
  H     11.74653024      7.17268035    -10.82287340
  H     11.45303760      7.93348182    -17.24232627
  O     11.80336750      7.36182968    -16.56408556
  H     11.26454687      6.21858552     -9.71634007
  H     10.99552700      6.37571317    -15.18333905
  O     10.83497885      5.87281818    -14.37551661
  H     13.20877066      4.25614182    -15.25738522
  H     11.54217480      5.21271826    -14.32864095
          69
 Energy    -249.99894228734084     
  O     14.92027280     13.13435408     -9.38615880
  H     15.80346216     13.20404810     -9.00107167
  H     13.87249916     10.84795590    -13.75963568
  O     13.87078738     13.52708881    -15.55848689
  H     14.55401356     12.28881394     -9.09624286
  H     12.88549344     14.06880190    -12.35130200
  O     17.05967443      8.82192348    -11.09651672
  H     14.08500805     12.58051808    -15.60688658
  H     12.83411304     13.66287316    -13.84895192
  O     16.35746112     16.14125861    -11.94964689
  H     13.53925035     13.77575081    -16.41780657
  H     20.83434346     13.25648964    -12.55566871
  O     14.62356727     10.86334753    -15.44309736
  H     17.50799137      9.55231483    -11.55040933
  H     19.42203499     13.65744041    -12.06659577
  O     17.14400655      6.73001558    -12.98150756
  H     17.17197754      8.04136100    -11.65179516
  H     13.46212703     10.18495458     -8.05487870
  O     17.03628473      8.03966105    -15.35835950
  H     16.26040143     15.60319719    -12.75435095
  H     14.08642825      9.96848714     -9.45187943
  O     15.77320729     12.39523064    -11.96482830
  H     16.49560239     17.04085546    -12.23675188
  H     14.13511751      7.77976819    -14.73863426
  O     14.26873613      9.10067319    -10.98710363
  H     15.58578345     10.88189871    -15.32848548
  H     13.59207799      7.55764265    -16.16936446
  O     17.36529683     10.81254854    -15.04842667
  H     14.38288876      9.94844325    -15.63781035
  H     16.05515725     10.32614370     -8.53293048
  O     18.41271121     13.35630088    -15.17514162
  H     17.66122566      5.93295742    -13.05950246
  H     17.14203114      9.72894149     -9.44258147
  O     13.57455927     10.96936348    -12.84956831
  H     17.19489894      7.18383049    -13.84202699
  H     18.16223754     13.99553626    -10.11647352
  O     12.48969913     13.44353516    -12.97676992
  H     17.27857525      8.97543276    -15.36888160
  H     17.73512654     15.08186012    -11.14357031
  O     19.90543997     13.11322732    -12.71460576
  H     16.10781592      8.00646868    -15.61795374
  H     17.29701297     11.54259664    -12.15698343
  O     14.13733968     10.50920268     -8.64519325
  H     15.02128646     11.88043652    -12.28703112
  H     18.82047287     11.62237846    -12.44942217
  O     14.16505151      8.11714074    -15.65196208
  H     15.52263352     12.72623231    -11.09427140
  H     14.59359888     15.54504170    -11.33629513
  O     17.00465097     10.33761186     -8.70557633
  H     15.23343677      9.03374814    -11.05029581
  H     14.05011644     14.47321989    -10.38606336
  O     18.45080150     14.48436510    -10.89679161
  H     13.96695627      9.74490882    -11.64741367
  H     15.23323052      6.87986470    -13.00483137
  O     18.08252748     11.00827794    -12.35867164
  H     17.59189200     10.73709660    -14.11153734
  H     14.12660934      7.71203418    -12.33420596
  O     13.78979904     15.06841100    -11.10182363
  H     17.75596941     11.65340243    -15.32399905
  H     18.04291241     13.15493132     -7.77575794
  O     14.31693161      7.16732584    -13.10690537
  H     17.62326072     13.79720370    -14.83297961
  H     17.50693914     12.01569660     -8.67158932
  O     17.62217376     12.98107991     -8.61425385
  H     19.02756772     13.32775263    -14.43155800
  H     15.96186587     13.64708743    -13.26207988
  O     16.03793213     14.31806494    -13.95825886
  H     13.05089080     11.78639567    -12.82163104
  H     15.29944417     14.17293954    -14.56179769
          69
 Energy    -249.99855503022775     
  O     11.82556348     10.13038929    -14.79505059
  H     12.45296887      9.83714871    -15.47261022
  H     20.71098888      9.18273304    -12.61041533
  O     16.45130176      6.87938078    -13.64144560
  H     12.13830884     10.99689794    -14.51469161
  H     15.43431569     12.05828817    -16.49892082
  O     16.35907909     10.12730993    -10.54633757
  H     15.75443909      6.47262278    -13.10897195
  H     16.10334586     12.70366570    -15.25638856
  O     17.73514275     12.83715922    -14.31112264
  H     16.11233743      7.74279892    -13.92742627
  H     15.06801097      9.36573384    -15.18013844
  O     14.12227569      6.67140424    -16.70654748
  H     15.86782920      9.68874855     -9.84237154
  H     16.54549457      9.68435459    -14.73439121
  O     14.58616736      8.53712592     -8.99122785
  H     15.69277021     10.41893853    -11.18849880
  H     11.33293445      8.81603374    -13.80461266
  O     14.45651511      6.05047762    -11.91851334
  H     18.23935619     13.64392192    -14.38345864
  H     10.17613876      7.92953575    -13.28321123
  O     14.43943334     10.66547195    -12.41234744
  H     17.85262908     12.51783688    -13.39874219
  H     16.97982431      6.76663793    -10.25147814
  O     17.49696004      8.90337884    -17.38426256
  H     13.68919893      6.35907337    -15.89686068
  H     15.74032479      7.02035902     -9.37832271
  O     18.31742892     10.19777204    -15.06541829
  H     15.05059369      6.42516345    -16.64015307
  H     12.23035800      6.66549895    -14.00980690
  O     16.96155643      6.29340192    -16.28595169
  H     14.05708992      8.63327869     -8.20324982
  H     13.39747864      5.80694051    -13.50676337
  O     19.82026092      9.47784653    -12.77940550
  H     13.96659584      8.48917739     -9.73882216
  H     18.92520767     11.05476852    -12.10728233
  O     15.26331126     12.60107708    -15.72052741
  H     15.05002617      5.92929048    -11.16415928
  H     17.64283534     11.30074921    -11.29522538
  O     15.68606132      9.36264405    -14.43606428
  H     13.97649798      6.87151563    -11.74327001
  H     17.44635329      7.56350774    -12.27421247
  O     11.11966899      8.05553517    -13.23285977
  H     13.95398819     11.39452576    -12.81356488
  H     17.34917307      8.71637241    -11.22035270
  O     16.24748652      6.32093988     -9.80974096
  H     14.89196997     10.20705845    -13.13870347
  H     15.74677127     11.08314958    -18.90141257
  O     12.89029454      6.02399750    -14.29797940
  H     17.31546979      7.99756465    -17.10761093
  H     16.35910982     10.14140494    -17.83882328
  O     18.27273043     11.73109203    -11.88704410
  H     17.95378338      9.32297909    -16.64144367
  H     12.32177009      8.30012520    -11.86657090
  O     17.90775920      7.99188018    -11.53833405
  H     18.89136002      9.88772458    -14.35377590
  H     13.52071061      9.26345840    -11.71690746
  O     15.70093813     10.84567349    -17.97905357
  H     18.19969146     11.14721637    -14.93180321
  H     13.87287996     12.58968921    -14.67163711
  O     13.10372566      8.48060473    -11.32865515
  H     17.41777905      5.46514322    -16.41437888
  H     12.78867542     13.43756727    -13.96688240
  O     13.14855956     12.55664403    -14.02063700
  H     16.85133038      6.40415811    -15.32713852
  H     13.89525729      8.39363948    -16.69877123
  O     13.83242756      9.34486707    -16.51240136
  H     19.22703760      8.87153705    -12.30286472
  H     14.34102611      9.82851999    -17.17185155
          69
 Energy    -249.99787904054278     
  O     17.97114653      4.82907514     -9.48944752
  H     18.36795761      5.64545718     -9.83031558
  H     21.91885808      7.86095146    -10.12787595
  O     19.36238733      4.24837274    -12.77045490
  H     17.56057056      4.39390459    -10.24595655
  H     16.37074446      9.07736812    -14.33526018
  O     19.07612161      7.02668027    -13.20822467
  H     18.47507612      3.97751927    -12.50261650
  H     17.13437791      9.21199747    -12.99486243
  O     22.68499928      6.81957084    -11.34594545
  H     19.26835546      5.15484094    -13.08983661
  H     22.07615638      3.40364492    -11.37818679
  O     16.71655112      3.94061663    -11.81126679
  H     19.02471218      7.06528768    -12.23861981
  H     20.79547798      4.18038547    -11.75023347
  O     21.47001000      8.25037958    -13.57126749
  H     18.29729534      7.49089211    -13.53573049
  H     13.46144562      4.16959774    -11.66259244
  O     20.31271619      7.15171528     -7.36942659
  H     22.39106921      7.20341915    -12.17917865
  H     13.89709256      5.52773388    -12.23973736
  O     13.98908019      4.27420095     -8.45531002
  H     22.36204965      5.90839593    -11.32921910
  H     15.34045863      6.88108913     -8.99600489
  O     18.92218284      7.23763826    -10.48144323
  H     16.36086942      4.81680263    -12.02209221
  H     13.97712932      7.22973787     -9.64381898
  O     17.83516557      8.03617913     -6.83167091
  H     15.97240240      3.41494905    -11.49292426
  H     15.90649576      7.16786623    -12.74243433
  O     17.11530394      9.07730245     -9.36330743
  H     21.78783102      8.16386579    -14.46629319
  H     15.38076211      6.81531227    -11.32428408
  O     21.31791019      8.44333420     -9.63535657
  H     20.62239858      7.77399623    -13.52441047
  H     21.06253604      9.63924395    -12.43456553
  O     16.77421675      8.57153778    -13.63526877
  H     20.77841600      7.70898550     -8.00608925
  H     21.27543751     11.08279077    -11.93044045
  O     21.60345993      4.21529267    -11.20985269
  H     20.47004819      6.24039260     -7.65590329
  H     16.68718072      6.58131327     -7.26971042
  O     13.12114904      5.02253621    -11.96127474
  H     13.34718432      4.94556949     -8.71673723
  H     16.82929063      5.43106602     -8.29490187
  O     14.91856987      7.43851430     -9.66782947
  H     14.71955791      4.74995357     -8.03884615
  H     11.42414334      6.52829764     -9.66583929
  O     15.55024331      6.45172362    -12.20539981
  H     19.77257076      7.52097627    -10.12127631
  H     12.51250858      5.86058373    -10.54248382
  O     20.76487355     10.28992807    -11.77937437
  H     18.26507075      7.86973401    -10.16312611
  H     17.59578478     10.00255938    -10.90239399
  O     16.18856347      5.90108358     -7.73702537
  H     18.73517447      7.69663063     -6.99349385
  H     18.84073956     10.29485270    -11.77242366
  O     12.35114407      6.30930003     -9.69276051
  H     17.85053663      8.44603329     -5.97109194
  H     19.65317068      4.50166984     -8.73697483
  O     17.87910247     10.22802138    -11.79921619
  H     17.38367309      8.86373589     -8.46007757
  H     21.04774309      4.48684453     -9.35859495
  O     20.58762921      4.63013755     -8.52405731
  H     16.25266633      8.65891684     -9.49905452
  H     14.12571592      1.88370530    -10.55085919
  O     14.39920162      2.78471988    -10.70057709
  H     21.14832085      9.20202962    -10.20336971
  H     14.28795828      3.25506192     -9.85503993
          69
 Energy    -249.99730217180962     
  O     16.54199377     11.38716397    -17.91676023
  H     16.28782688     10.71500872    -18.54305645
  H     19.57934662     12.37012812    -17.78403946
  O     19.12861108     17.70579237    -14.63927572
  H     17.44452112     11.66726358    -18.15579953
  H     13.66757757     14.32217493    -11.38912473
  O     20.11192817     11.28257809    -13.86566367
  H     18.92381104     18.20370303    -13.83964872
  H     14.33064838     14.16013455    -12.78008082
  O     16.42020506     16.39577002    -12.25752411
  H     18.30856119     17.23301772    -14.85234077
  H     20.71500420     15.26202204    -13.30184310
  O     14.50610387     15.71469274    -16.45895493
  H     19.24298887     10.91969097    -13.65981141
  H     20.50083853     16.66054011    -13.94468426
  O     16.72911752     12.64243342    -11.39928579
  H     20.15023502     12.11429257    -13.37117420
  H     17.63933120     15.41034415    -11.24130711
  O     14.17789332     13.74446698    -14.42832586
  H     16.54022782     16.32123770    -13.21606855
  H     19.03714266     15.53835491    -10.60768993
  O     20.42852620     12.66932570    -16.22204651
  H     15.68384837     15.81324092    -12.03217025
  H     16.53174106     11.30502972    -14.57564959
  O     22.15627270     14.90006523    -15.84537764
  H     13.84646520     16.22057715    -16.92477101
  H     16.25041610     11.56398559    -16.10912071
  O     19.70722262     13.86429671    -12.90696888
  H     14.96129315     15.16416090    -17.12302205
  H     20.79908532     15.91556829    -16.74357603
  O     15.88852891     14.20429847    -18.19071854
  H     17.34273767     13.27128050    -11.00015261
  H     19.77568942     16.99001440    -16.32487044
  O     18.96503450     12.38539726    -18.53232025
  H     15.91292235     13.13935552    -11.53163246
  H     19.61674360     17.58651060    -11.23514645
  O     14.49936902     14.39547996    -11.84877103
  H     14.78380911     13.04708231    -14.71540580
  H     20.77501373     16.69686765    -11.70420338
  O     21.17470938     16.07264536    -13.57520652
  H     14.19124819     14.41756375    -15.11844814
  H     17.48105821     17.86319170    -12.06344475
  O     18.31359677     14.91278637    -10.75790492
  H     20.41929774     12.07968366    -15.45257835
  H     17.75614148     19.34129549    -11.71274044
  O     16.11653765     11.90078987    -15.21329695
  H     21.10411048     13.34287776    -16.08237012
  H     17.22757495      9.78853681    -12.63221273
  O     20.02755997     16.40689531    -17.05011231
  H     23.10074192     14.97945544    -15.95286162
  H     17.18470121     11.32317164    -12.46506243
  O     20.23805525     16.91200269    -10.93275088
  H     21.93403795     15.32379909    -14.99898359
  H     18.85141916     13.49720537    -15.67432370
  O     18.16136293     18.55680523    -12.07446232
  H     19.06659865     13.85627069    -13.63319645
  H     17.39919729     13.18173451    -15.19509696
  O     17.39372239     10.60747783    -13.09241300
  H     19.23527553     14.14726853    -12.11375749
  H     18.60767957     15.64619453    -19.71176985
  O     18.09839788     13.84856538    -15.18251154
  H     16.75271914     14.56850954    -18.42410218
  H     18.98662326     15.62225165    -18.21772593
  O     18.45715616     15.17165107    -18.89771364
  H     16.00367592     13.25022742    -18.12686314
  H     16.02413643     16.18948091    -15.50539919
  O     16.83941078     16.23513592    -14.99384582
  H     18.86175111     13.31654560    -18.76364411
  H     17.30188763     15.39032798    -15.11693213
          69
 Energy    -249.99718348324694     
  O     11.69716665     10.14831500    -14.55986562
  H     10.87245586     10.53011281    -14.84761430
  H     15.86425065      5.29136395    -14.00928227
  O     15.99793705      6.57285580    -12.76416119
  H     12.40228351     10.77212470    -14.81279765
  H     19.63936615      7.91196319    -14.28190086
  O     17.47796576     10.44790790    -11.24526762
  H     15.14720718      6.59068315    -12.30441285
  H     19.70586054      9.19648179    -13.44210542
  O     17.79181429     10.00374627    -15.82493656
  H     15.97251137      7.30957607    -13.39624397
  H     15.96243947     11.62228056    -17.94769154
  O     12.95517731      5.70657430    -14.25947103
  H     17.65367579      9.49477536    -11.27306467
  H     16.49595403     10.73684160    -16.79957544
  O     13.61271108      9.65596364     -9.31570462
  H     17.08513068     10.62888757    -10.38216979
  H     16.36472568      8.97939119    -15.07227708
  O     13.46833345      6.81224872    -11.66995188
  H     18.34291048      9.23621503    -16.03028519
  H     14.88215126      8.46156916    -14.98100950
  O     15.20854313     10.77940316    -12.85532877
  H     18.17045723     10.42708224    -15.04357438
  H     17.27500504      7.64889485     -9.63726630
  O     16.90612575      6.39519603    -16.74997405
  H     13.02552491      5.95849748    -13.32919273
  H     16.61424104      8.70815371     -8.73237539
  O     14.12912057      6.85996026     -8.94006059
  H     13.77127965      5.24045727    -14.47859912
  H     18.46436845     10.91398872    -12.66278176
  O     19.19967819      7.62004389    -16.12989221
  H     13.21199328      9.70439977    -10.19294840
  H     19.54307830     11.78474229    -13.34123432
  O     15.63290554      4.72497620    -14.76475481
  H     13.65530010      8.71631811     -9.09833976
  H     17.34310854      7.23531386    -11.78923573
  O     19.81386165      8.23957747    -13.39106099
  H     13.22335066      7.73575549    -11.82543471
  H     18.77400812      7.79572882    -11.97094170
  O     15.68755521     11.02416532    -17.25643701
  H     13.60758450      6.71801380    -10.71930943
  H     15.19210712     10.33498651     -9.00104174
  O     15.68358239      8.65435590    -14.47419961
  H     15.36864846     10.01707923    -13.43591118
  H     16.09082980     11.17425275     -8.06323825
  O     16.69245379      7.75720703     -8.87351884
  H     15.95065476     10.79609561    -12.24184336
  H     14.28409818      8.09393788    -17.17304303
  O     18.98686914     11.02095286    -13.47487368
  H     16.25742216      6.97739886    -17.17236130
  H     15.22316003      9.16798562    -17.73529981
  O     18.04549103      7.72562117    -11.33792562
  H     16.42006113      5.79547520    -16.17449568
  H     12.29692238      9.70054160    -12.79657248
  O     16.11365326     10.59279137     -8.81841896
  H     15.07336498      7.09662411     -8.90388897
  H     13.69692816     10.01072569    -12.24005411
  O     15.05332391      8.22021040    -17.74744621
  H     13.96027299      6.28600313     -8.19782526
  H     14.37208144     11.59292952    -14.34376923
  O     12.87569411      9.53493483    -12.04382558
  H     19.87450969      7.32765113    -16.73650823
  H     14.42838596     11.50002941    -15.88830965
  O     13.84409283     11.69874420    -15.14686096
  H     18.39277077      7.11704619    -16.34747540
  H     12.61101899      8.69802572    -15.33961978
  O     13.23439856      8.03955624    -15.66524995
  H     15.97002816      3.85409311    -14.56753289
  H     13.03697674      7.19935637    -15.22476506
          69
 Energy    -249.99712189179115     
  O     10.10422103     11.16446522    -11.10407996
  H      9.40776567     11.24863592    -10.45839901
  H     10.35353215     11.34540164    -17.02206984
  O     14.38519136     10.65653563    -12.94099349
  H     10.94353637     11.30036076    -10.62842219
  H     14.06008185     13.45632190    -14.57632882
  O     17.08494291     12.92781731    -14.40465823
  H     15.26208688     10.98122461    -12.69868995
  H     13.83192901     13.73127525    -16.08655027
  O     15.91519905      7.80781486    -11.37878209
  H     14.44636611     10.11043097    -13.73280479
  H     18.59707848     10.78490687    -16.75376635
  O     10.76914460     12.18576726    -13.60766061
  H     17.42904398     12.29531597    -15.04575735
  H     17.83288738     10.14999604    -15.56615455
  O     12.48150299     13.78520034    -17.27014574
  H     16.26717668     13.27297389    -14.78729146
  H     15.03168197     13.91280323     -9.90776975
  O     15.06038157     11.10172324    -16.77544358
  H     15.79931150      7.45239398    -12.26837005
  H     15.39657450     12.81122467    -10.92534292
  O     13.26419326     13.12456301    -12.95982734
  H     15.03963504      8.10324243    -11.09325791
  H     17.99284383      9.19525910    -13.37530382
  O     14.09356760      9.04132888    -15.18803758
  H     11.59929720     12.63540794    -13.39296021
  H     17.17866932      8.26667472    -14.29808288
  O     17.98518552      9.52796292    -11.50268878
  H     10.40637572     11.87187341    -12.76927242
  H     11.28060344     10.51973212    -14.35422445
  O     12.51240945     11.39024087     -9.85959764
  H     12.63272002     13.05769124    -17.88572046
  H     11.13377394      9.80057186    -15.70974578
  O     10.70993857     10.49701747    -17.31559768
  H     11.60934245     13.62455537    -16.88878121
  H     15.50814888      6.24423756    -14.51866846
  O     14.50047245     13.46925968    -15.43618050
  H     14.84852229     11.90540743    -16.27635896
  H     15.06758815      7.72578974    -14.55178956
  O     17.78713275     10.83888404    -16.25406283
  H     16.01731869     10.98378270    -16.72196009
  H     13.83251195     11.20014455    -18.08313712
  O     14.65170445     13.26284729    -10.49350099
  H     13.60858600     13.45742376    -12.12466786
  H     13.40764850     11.19508372    -19.56867274
  O     17.82092933      8.98708259    -14.30113971
  H     13.56642869     12.20074396    -12.99703058
  H     11.05417726      8.78905727    -13.13564169
  O     11.44665529      9.67988977    -14.80090590
  H     14.41061770      9.69280082    -15.82758092
  H     10.53124977      9.38650894    -11.81835640
  O     15.69870820      7.10337895    -14.15103023
  H     13.14365377      9.18646876    -15.06346487
  H     16.89917246     12.33730623    -12.75216432
  O     13.08437383     11.34917551    -18.68447566
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  H     13.75950387      9.58099041    -11.65675343
          69
 Energy    -249.99666728147923     
  O     -3.32623471      4.99470055      3.04911718
  H     -4.04086612      4.68830733      3.60207119
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  H      1.08250030      2.50067613     -1.82884449
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  H     -0.21490343      5.58940892      3.50923100
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  H     -0.85864181     10.24302804      2.34458450
  H     -1.48583817      4.72819905      3.55407665
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  H     -5.47853666      2.91457682     -1.51075976
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  H      1.82909626      6.14421224      0.65182905
  H     -4.44243414      4.05664706     -1.65182467
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  H     -2.26393133      4.66780700     -5.27618064
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  H     -1.84072430      6.10327230     -0.31925973
  H     -2.20313458      3.89669245     -3.93285064
  O     -2.35553785      2.44931006     -3.00547397
  H     -1.54167274      7.45524852     -0.96326932
  H      1.92399303      3.87205943     -0.19296829
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  H      1.69066619      3.67499651      1.34903242
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  H     -3.00764582      6.79934089      2.48098543
  H     -3.41916722      5.45664917     -3.07044456
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  H     -0.61695979      4.73244887     -1.15981118
  H     -3.49555754      6.18152475     -1.70941165
  O     -2.15136376      4.78355516     -4.33678447
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  H      0.27159389      8.20887296      3.29453075
  O      1.81921104      4.33150819      0.65517109
  H     -3.58917308      3.17906760      0.23034021
  H     -0.93384936      7.45918684      2.66983987
  O     -3.98811737      5.60057736     -2.30385861
  H     -2.16777857      3.73099291      0.51394166
  H     -0.01947576      0.25629604     -1.79607883
  O     -0.02315430      7.34612265      2.97894243
  H     -1.69328340      1.87173816      1.12210121
  H     -0.47313183      1.19795981     -0.65877508
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  H     -0.24882340      1.69882573      1.64120075
  H     -0.69591247     10.45710891      0.12577378
  O     -0.12714253     10.56723725     -0.65697917
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  H     -0.35598525     11.40741836     -1.04532459
          69
 Energy    -249.99638511296246     
  O     15.94873698     11.91473904    -16.15546589
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  H     18.06007144     13.59728409    -17.71384643
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  H     18.30421128     12.92989616    -10.56001433
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  H     20.29671193     18.63843077    -12.73294963
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  H     21.24407298     12.97805587    -11.27818993
  O     16.33900303     10.84452204    -12.10458579
  H     18.12889704     14.82201474    -11.74471565
  H     21.56086699     13.96028924    -12.42222700
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  H     19.56866361     14.49487553    -11.20662946
  H     17.38641729     10.72862611    -13.62056540
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  H     15.34671845     12.69479546    -14.49599482
  H     17.27025336     11.08371546    -15.11910471
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  H     15.47395564     12.29667959    -13.01872048
  H     20.75764250     16.24247265    -16.83255947
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  H     21.38530763     10.45606401    -10.84499755
  H     19.46511713     16.30754266    -17.66312450
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  H     22.90405675     18.70605581    -12.96342861
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  H     22.14222223     17.57160301    -12.23645843
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  H     15.86513212     10.18952664    -11.59957103
  H     17.82227820     16.35568708    -14.07013165
  O     21.28906263     13.91724074    -11.49267787
  H     20.15833241     14.21900279    -17.49886381
  H     18.56804775     17.71201795    -13.87491119
  O     17.89815607     10.81015962    -14.43709480
  H     19.49954864     13.39450687    -16.35700614
  H     21.81135174     15.63915261    -10.95004051
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  H     21.50144144     17.06648652    -14.39734988
  H     21.06328226     16.87878989    -10.41750595
  O     22.14780862     18.13022464    -13.03458411
  H     20.08736518     16.59500770    -14.82140471
  H     21.10455025     10.86347655    -14.66788568
  O     18.30282110     17.05542121    -14.53528457
  H     18.79149472     17.48422404     -9.22154528
  H     19.70856931     10.41216303    -14.17305218
  O     21.89452363     16.59252125    -10.81684595
  H     18.93826713     16.38270215    -10.29603404
  H     18.75101610     12.44662034    -14.43150306
  O     20.63758363     10.48479558    -13.91466443
  H     22.03302505     13.31404980    -14.85995014
  H     19.97060662     13.42390013    -14.27700398
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  H     16.39505595     14.36069908    -13.33841069
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  H     17.87281025     14.35613795    -13.79114442
          69
 Energy    -249.99627140842500     
  O     11.63752942     10.83609115    -15.14331851
  H     11.21715519     10.29557692    -14.46371444
  H     15.68059946      6.37783842    -15.49303263
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  O     16.10607603     10.02237635    -10.64112012
  H     16.43306641      7.11320403    -13.44020027
  H     18.31577777      8.72331744    -13.04718851
  O     17.18008709     11.31789212    -14.52954701
  H     14.94586275      6.76369640    -13.05549166
  H     15.16271184     12.53399822    -16.50908150
  O     13.16595154      6.85880724    -16.82613076
  H     15.55297397      9.67219147     -9.92744089
  H     15.96117850     12.56611166    -15.19638440
  O     14.24711088      8.76534458     -9.03921977
  H     15.48851244     10.43758537    -11.26012550
  H     15.23721329      8.57073808    -14.34562465
  O     13.55406303      6.64067299    -11.92215472
  H     17.66792741     11.16476243    -13.71403071
  H     14.53800543      9.54854374    -15.34114215
  O     14.17814544     10.92700860    -12.41395491
  H     16.47678926     10.64818984    -14.55664702
  H      9.56261807      8.79919115    -13.24803172
  O     17.67303826     10.29727426    -17.06650988
  H     12.79421605      6.24942765    -17.45868998
  H     10.94017654      8.22793709    -13.66185051
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  H     17.65898309      7.30449301    -11.54673743
  O     18.31517577      7.80693871    -16.20875982
  H     13.48833418      8.89793491     -9.62322321
  H     16.76856596      8.24503509    -10.72229917
  O     15.79675259      6.38772269    -16.45647307
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  O     18.17385800      7.81604718    -13.34514421
  H     13.95872079      6.27626519    -11.12543308
  H     12.48197315      6.60878394    -13.52754704
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  H     13.18045759      7.49752183    -11.67023652
  H     19.11360126     10.70725161    -11.60919348
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  H     13.79714887     11.73288645    -12.78051535
  H     17.61421536     10.34590208    -11.52834899
  O     10.49401134      9.00250559    -13.27210684
  H     14.45336954     10.39042816    -13.17349924
  H     14.51662189     10.70858952    -17.65838036
  O     17.10827040      7.34041618    -10.75731891
  H     17.67420165     10.75831939    -16.21543565
  H     14.87275136     11.56674786    -18.89386113
  O     11.88323648      6.89185736    -14.23018739
  H     16.88062280     10.60623346    -17.52036517
  H     11.66032979      9.11175220    -11.79527309
  O     18.37075940     10.41990343    -12.13448642
  H     15.29585891      5.30661924     -9.05428008
  H     13.02570909      9.79958485    -11.60542705
  O     15.17041827     11.33279450    -18.01845944
  H     15.83998126      6.40277968    -10.00249313
  H     13.82822966     13.03986446    -14.57959698
  O     12.44534134      9.11859649    -11.23439633
  H     19.09329589      7.52198930    -16.68202997
  H     12.80709872     13.90096089    -13.79834842
  O     13.08840245     13.00231678    -13.94613578
  H     18.08617664      8.68540409    -16.56012139
  H     13.23925134      8.70098956    -16.88890536
  O     13.42027102      9.64426373    -16.79943643
  H     16.63875037      6.83620649    -16.58365304
  H     12.70968759     10.05219323    -16.27823514
          69
 Energy    -249.99614282234216     
  O     14.96527107     10.34994343     -9.49037892
  H     15.17394046     11.28111667     -9.34501908
  H     11.31966281      8.89213069    -10.72397688
  O     16.77284125     13.24111379    -13.47373914
  H     15.63513149     10.00441036    -10.09778366
  H     13.79167912      5.93624099    -10.47305183
  O     10.83093145     10.65771548    -14.75319642
  H     17.43917092     13.81021574    -13.84893583
  H     15.33067315      6.10833746    -10.65061348
  O      9.91321857      8.29877960    -13.54524363
  H     17.18069278     12.79245366    -12.71126418
  H     11.80266305      6.99166344     -9.85397139
  O     12.81848837     11.84317334    -13.05587946
  H     10.27517133     11.25541644    -15.24730452
  H     11.88595766      5.88562208     -8.77941528
  O     15.11444719     11.23539118    -14.51993813
  H     11.60564072     10.47092307    -15.31788358
  H     13.78689537     13.22573028    -12.19564501
  O     15.65994278     13.04702451     -9.47201500
  H     10.22813810      9.12781761    -13.93938978
  H     15.22185121     13.73063533    -12.44392850
  O     16.97988634      9.28077590    -11.13268940
  H      8.99249016      8.21810055    -13.78451994
  H     13.30312010      9.35269631    -16.40985628
  O     14.39096371      5.04979448    -13.81860542
  H     12.06628678     11.55336962    -13.58369911
  H     13.81752830     10.66707462    -15.77528521
  O     17.69218903     12.01511674    -11.23327497
  H     13.61329551     11.59593893    -13.55314410
  H     17.37665127      6.40732352     -9.11572831
  O     13.77418697      8.16968828    -12.51847165
  H     15.54775463     10.39716795    -14.30651033
  H     16.04909850      7.20371194     -9.03539522
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  H     15.72671624     11.94114650    -14.27943298
  H     15.57265397      5.90624030    -14.80575255
  O     14.51446700      5.88096700    -11.11330812
  H     15.18242467     13.34959902    -10.26577909
  H     16.73588730      5.90522787    -15.82387986
  O     12.42056997      6.44884995     -9.33324619
  H     15.65211140     13.77030257     -8.85145206
  H     13.11608504      7.25628962    -15.87157147
  O     14.49209398     13.76238230    -11.81217263
  H     17.04179515      8.43426177    -10.67446237
  H     14.59867377      7.26881244    -16.27289490
  O     13.04684634     10.26030816    -16.18907872
  H     16.77630936      9.09069249    -12.05962085
  H     11.30532401      7.10488195    -14.15818271
  O     16.72938356      6.86422688     -9.64623318
  H     14.47689190      5.16852825    -12.86367335
  H     12.75974889      7.30503921    -13.72919446
  O     16.14568623      6.48047321    -15.34463553
  H     13.52749412      5.41747413    -14.04969696
  H     14.67652542      8.79468974     -8.51148817
  O     13.73510239      7.61349398    -16.52349226
  H     17.59542887     11.05511807    -11.18088370
  H     13.83755560      7.48654444     -8.50284797
  O     12.19566432      6.77644688    -14.31604886
  H     17.14179945     12.38030976    -10.52956527
  H     16.29269320      8.04041800    -14.33060877
  O     14.67218083      7.87405906     -8.21367633
  H     13.33618974      8.80908639    -11.94501825
  H     15.24715086      8.59211808    -13.33594796
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  H     14.03030154      7.40442516    -11.98479552
  H     12.64362848     10.81018848    -11.59454489
  O     12.60969765     10.13942359    -10.89893166
  H     10.45122085      8.05793804    -11.67948997
  H     13.38542938     10.26579306    -10.33619152
          69
 Energy    -249.99594570497220     
  O     17.01929183     11.38633456    -15.26548814
  H     16.99253763     12.33956873    -15.26331408
  H     16.03445691      4.17754742    -15.96411394
  O     13.27393268      5.56133673    -15.72677360
  H     16.10421136     11.08387604    -15.40975808
  H     19.03432908      5.10239074    -15.34743745
  O     18.40436639      7.54724006    -12.07660161
  H     12.45216531      5.10066535    -15.87198643
  H     20.07412772      6.23186042    -15.18435462
  O     19.36972859      5.64280353    -18.36190525
  H     13.98590593      4.98244956    -16.05867998
  H     17.69086379      7.84073225    -16.94309704
  O     16.59023910      5.02205341    -18.89883587
  H     19.17225054      7.50458412    -12.65645211
  H     18.63116025      7.28989468    -18.05427000
  O     14.46090098      9.15491003    -10.04723495
  H     17.86205725      8.26568181    -12.44247575
  H     16.82953596      8.13507016    -14.74667145
  O     14.08069496      6.47382206    -13.16086077
  H     20.09542940      5.29151611    -18.87015193
  H     15.82998483      7.65605733    -15.83759988
  O     16.87766414      9.38367639    -13.32502713
  H     19.59870618      5.51877768    -17.42263940
  H     14.21116402     10.14283004    -14.52079541
  O     17.30306339      4.87412842    -14.80881986
  H     17.53653641      5.14007430    -18.75108138
  H     14.31444373      9.64373421    -15.97067430
  O     13.44517981      6.48781386    -10.40161498
  H     16.24311898      5.89810332    -19.10140816
  H     15.55440231      4.54759501     -8.91092754
  O     19.29883736      9.72460283    -15.85810015
  H     14.32818243      9.77486715     -9.33510834
  H     14.83228525      5.60224431     -9.78630573
  O     15.32104178      4.09629398    -16.61078333
  H     15.34447938      8.76614310     -9.91864033
  H     14.63494285      7.85035747    -17.65771172
  O     19.85403931      5.46002987    -15.71820464
  H     13.79376174      6.10523873    -14.00413062
  H     13.82603212      7.15126639    -16.50940539
  O     18.11493819      8.06284004    -17.78814870
  H     14.94921282      6.10387244    -12.94950789
  H     19.98020040      8.52638272    -14.72448133
  O     16.70883251      7.50354621    -15.46509740
  H     15.93357337      9.36613045    -13.11464624
  H     21.26191069      8.07236157    -13.99891827
  O     14.47914316     10.41282064    -15.40893937
  H     17.03316308     10.16414464    -13.86967530
  H     16.32229683      5.22291686    -11.32890006
  O     15.70333263      5.22870893     -9.56047029
  H     17.10163790      5.77982794    -15.09417164
  H     17.22915417      6.15206482    -12.17896511
  O     14.27936007      7.96470591    -16.76675406
  H     17.07979545      4.84540181    -13.86970287
  H     17.51718235      7.80434547    -10.38870648
  O     20.35306269      7.82794538    -14.15941602
  H     13.62352057      7.41626922    -10.20622349
  H     16.56945131      6.94936065     -9.52469411
  O     16.55437404      5.45922200    -12.23423018
  H     13.48066837      6.41339147    -11.36509630
  H     14.16821865      9.33097588    -11.87791297
  O     16.83945204      7.85919435     -9.70382868
  H     18.59782885     10.36516156    -15.69075032
  H     14.06330990      8.27993628    -13.01284684
  O     14.16537066      9.22778629    -12.83818935
  H     19.03052883      9.25884407    -16.66135562
  H     15.69626968      8.29355558    -19.97695636
  O     15.75037783      7.79199465    -19.16723701
  H     15.71401906      4.32251757    -17.46557372
  H     16.60838492      8.00425567    -18.76151193
          69
 Energy    -249.99540562424465     
  O      0.14095816      0.21472433     -2.07166725
  H      0.60155923      1.05048902     -2.24948419
  H     -1.87298126      0.08362958      2.59230313
  O      1.33898184      2.65479278     -2.23470214
  H      0.75615977     -0.51676783     -2.19960951
  H      0.15973428      0.24619949      2.13902971
  O      4.19038370      1.59173934      3.41025108
  H      2.25787489      2.61819129     -1.94123742
  H      0.33071750     -0.92745530      3.12559972
  O      0.86695779      0.84843041      0.63096711
  H      0.84887918      3.08383952     -1.51941344
  H      2.66218028     -1.10602657      2.19883747
  O     -2.55389542      0.34186845     -1.97875773
  H      3.82266238      0.85816458      2.88905165
  H      2.36917111      0.15972570      1.35731479
  O     -2.62168612      2.15501076      0.17082945
  H      5.04776971      1.30832889      3.71772941
  H      2.92079132      2.60745890      4.38988730
  O      1.94460779     -1.89907307     -1.98299742
  H      0.58968362      0.44134732     -0.19766677
  H      2.32817736      4.01587110      4.22068616
  O     -2.18800189     -1.51275741      0.17769751
  H      0.67704607      1.79030580      0.53218604
  H     -3.08270857      3.62841591      1.33818004
  O      3.97741002      2.44859612     -1.18623664
  H     -1.58577295      0.29646738     -2.08073480
  H     -3.25105179      3.65546717      2.86756502
  O      3.63502220      3.43919886      1.31261170
  H     -2.92815298      0.27255100     -2.85260366
  H     -1.34446574      4.63092688      2.41471920
  O      0.35932838     -2.62541585      0.33397960
  H     -2.66262502      1.52227092      0.90192765
  H     -0.33635720      3.76168025      3.19567844
  O     -2.76775356      0.33435999      2.31622361
  H     -2.72082622      1.63428121     -0.63546741
  H     -0.19804797      1.44714328      3.95097967
  O     -0.13381957     -0.09339647      2.99966430
  H      2.68847933     -1.38489023     -1.62075284
  H      0.57129483      2.60502021      4.64643626
  O      3.07592921     -0.32198566      1.81660287
  H      2.31525939     -2.51850072     -2.60561312
  H     -2.11227054      2.38195816      4.44044402
  O      2.25243064      3.20813969      4.74294606
  H     -2.41571841     -0.98621132     -0.59770942
  H     -3.47035795      2.42007968      5.17480722
  O     -3.08264398      4.21973176      2.10232620
  H     -2.54306212     -1.02514831      0.92990675
  H      3.95370710      0.56548677     -1.05158146
  O     -0.40226520      4.53112104      2.61306669
  H      3.84416258      2.82711832     -0.29906234
  H      3.79604462     -0.46340836      0.08269169
  O     -0.30758916      2.31829959      4.35728245
  H      4.70482298      2.92580928     -1.57797287
  H     -0.10180388      3.88318265      0.89315996
  O     -3.07521186      2.35622630      4.30886918
  H      3.15066144      4.16073730      1.72982490
  H     -0.99757217      2.97788257      0.02389552
  O      3.89503966     -0.38202142     -0.87465685
  H      3.89971112      2.85060779      2.02983197
  H      1.51111958     -3.26785045      3.17975879
  O     -0.11363763      3.37173491      0.07614512
  H     -0.54117554     -2.28205713      0.23410926
  H      1.05470204     -2.55474254      1.88128801
  O      1.45680359     -2.41435881      2.76066598
  H      0.83604205     -2.44876852     -0.48325334
  H      1.22787709      5.19257204      2.73092950
  O      2.17874825      5.37140180      2.83003476
  H     -3.08995266      0.92670269      3.00540444
  H      2.26987233      6.31556025      2.92961793
          69
 Energy    -249.99508104531029     
  O     17.77566552     10.29403430    -18.15036600
  H     17.83023430      9.58784068    -18.80584807
  H     20.42625536      9.87705915    -16.36214910
  O     16.07238979      6.02951475    -13.35966738
  H     17.58042153      9.87218609    -17.29778303
  H     16.25545194      9.41843557    -15.46831955
  O     16.92821278     13.44372605    -12.31121405
  H     16.94068434      6.26855672    -12.98693816
  H     17.71321799      9.49682763    -14.91783711
  O     20.63908189      8.21519512    -13.51147858
  H     15.84015275      5.18302494    -12.98591833
  H     16.12914414     11.16567063    -18.27037684
  O     15.56321898      7.19207285    -18.42573941
  H     16.01883232     13.57991189    -12.60596323
  H     15.24604210     11.96704886    -17.29452518
  O     14.10424117     11.11571656    -11.62108927
  H     17.44375249     13.27174003    -13.10868257
  H     16.29080425      9.00045273    -11.74632458
  O     14.83535874      8.54315362    -12.73368980
  H     21.52852212      8.14077463    -13.17665033
  H     16.97558733     10.02927748    -10.79764776
  O     18.13648024     12.48426820    -14.71721059
  H     20.71580536      8.43275885    -14.45902941
  H     14.20542655     10.08493663    -18.00128227
  O     14.51348762      9.80665974    -15.15323452
  H     15.91274174      6.83811263    -17.59590706
  H     12.85813985      9.35152289    -18.21833264
  O     16.90440912      6.52304049    -16.05028818
  H     14.88910900      7.84125520    -18.19404790
  H     16.70802956     12.17385448     -9.40893304
  O     18.39824833      6.89416478    -12.26788233
  H     14.18711889     10.20203601    -11.91723189
  H     16.76661718     12.35652655    -10.94450573
  O     20.67894933      8.99690874    -16.07031568
  H     14.84690606     11.27438661    -11.02412406
  H     19.39582009      9.56971246    -13.43055090
  O     17.17950435      9.22646351    -15.67483235
  H     14.65776762      8.96555403    -13.58775175
  H     18.07698686      9.86100156    -12.67012184
  O     15.22811281     11.48862651    -18.13414401
  H     15.11951789      7.64265559    -12.93373112
  H     14.07183191     12.54345273    -12.64019165
  O     17.12021284      9.21339768    -11.29250804
  H     18.32134210     11.69108732    -14.18913782
  H     13.44399652     13.92052101    -12.96520259
  O     13.70255332      9.27923918    -17.78122271
  H     18.72229494     12.41389062    -15.47929925
  H     18.58336862      6.68160234    -17.01206622
  O     16.53798416     11.72965346    -10.23507261
  H     14.11156139      9.54208489    -15.99048269
  H     18.88897707      7.33446496    -18.36813015
  O     18.60590864     10.12469386    -13.43441574
  H     14.75168918     10.74213534    -15.23071417
  H     16.36849493     12.44639687    -15.25130401
  O     14.18980538     13.35933973    -13.15899670
  H     16.58517056      6.20456749    -15.19975905
  H     14.94895003     12.84658692    -14.75414181
  O     19.29141360      7.08797287    -17.52733805
  H     17.06936745      7.47127260    -15.92348418
  H     19.08090964     11.27005622    -17.47634158
  O     15.42666667     12.40840285    -15.46992624
  H     18.06661960      7.64357393    -11.75415002
  H     20.33799607     12.16667690    -17.53841368
  O     19.76778219     11.69606753    -16.93502681
  H     19.18403244      7.21274986    -12.72730554
  H     16.92766415      7.69000286    -19.36788220
  O     17.75058467      8.02121473    -19.77299982
  H     20.22431747      8.35489065    -16.63735878
  H     17.74993101      7.72912359    -20.67984942
          69
 Energy    -249.99450848302598     
  O     18.47882826     10.18943231    -10.50648512
  H     17.70980803      9.65379032    -10.25160083
  H     14.61213103     11.19641930    -11.13664866
  O     13.84477871      6.43570199     -9.65494312
  H     18.49788031     10.92530570     -9.88031247
  H     19.29865772      5.30261038    -12.10496715
  O     18.12076691     11.97999795     -8.45437670
  H     13.32154502      7.14442156    -10.04868207
  H     20.42970088      6.04727692    -12.83910005
  O     12.59960174      8.69395287    -10.94289387
  H     14.52663927      6.23977811    -10.31170735
  H     16.07834845      6.86415042    -12.33230324
  O     17.58202304     10.15996456    -13.10968009
  H     17.17027711     12.12133515     -8.37951265
  H     16.10266764      7.38526470    -10.88119808
  O     20.06693205      7.96623332    -10.23549284
  H     18.35571102     11.41475409     -7.70604380
  H     20.90783537      8.13465284    -13.25760304
  O     19.44683993      7.85074371     -7.49405907
  H     13.11206944      9.46620795    -10.65170518
  H     22.37894700      7.80372878    -12.90773336
  O     18.45364862      5.68639120    -10.41037784
  H     11.67872832      8.92334240    -10.83706936
  H     16.72470730      9.92051666     -6.36015328
  O     13.86240522      9.19382982    -13.50698736
  H     17.97026524     10.22098569    -12.22406815
  H     15.58699998      8.95278397     -6.76008643
  O     15.22455012     12.03095209     -8.03421701
  H     16.81665181     10.74577478    -13.10998177
  H     19.27840438      8.06500776    -14.76521006
  O     15.08161267     11.53508036    -12.92551212
  H     19.58760891      8.79974826    -10.35532772
  H     19.04852695      9.39704801    -14.01897228
  O     14.29938043     10.78310706    -10.32128755
  H     20.66584318      7.87748473    -10.98624280
  H     16.04509488      8.39316522     -9.00579811
  O     19.72029859      5.40445941    -12.96664344
  H     19.80375923      7.89112190     -8.39120096
  H     15.54077375      9.48233039    -10.00427153
  O     16.05646513      6.57422732    -11.41208766
  H     18.91118067      7.05044372     -7.45559653
  H     18.91898021      9.31393520     -6.74140022
  O     21.47853781      7.64496670    -12.63812173
  H     18.99152908      6.49117973    -10.36191168
  H     19.12638204     10.28096634     -5.55498141
  O     15.77221295      9.86874167     -6.51578952
  H     17.60195431      5.92559682    -10.80754112
  H     14.83775511      6.93809617     -8.22078833
  O     19.73684510      8.81309600    -14.36285440
  H     13.40365892      8.84004813    -12.73653286
  H     16.23406977      6.65918109     -7.58578911
  O     16.23404532      8.82921936     -9.84709932
  H     14.57953381      8.58095430    -13.72120835
  H     16.74793481      8.58758054    -13.60281831
  O     18.58727132     10.13020979     -6.32696907
  H     15.36149175     11.24963142     -7.46639632
  H     16.88394628      7.26883192    -14.40626344
  O     15.51849351      7.30475307     -7.63513628
  H     14.87055076     12.71709860     -7.47448962
  H     17.86686938      4.67713569     -7.38268610
  O     16.26520148      7.79742140    -13.88747704
  H     14.79831271     12.25057304    -13.48872226
  H     17.99766896      5.48395533     -8.69381555
  O     17.75307800      5.54805062     -7.75511968
  H     14.59604086     10.73865450    -13.21159128
  H     18.80870864      5.96465016    -14.35290569
  O     18.35736354      6.39635401    -15.10036355
  H     14.57230397     11.32457569     -9.56783095
  H     18.45456605      5.81820203    -15.85199498
          69
 Energy    -249.99315609378556     
  O     12.92457807     15.55745987    -15.44581358
  H     12.14966453     14.98487540    -15.42463392
  H     16.22486757     15.93081973    -10.37945499
  O     14.49637845     11.91785100    -15.07891556
  H     13.28918573     15.48078871    -16.33575603
  H     15.43053345     13.00236556    -16.12484833
  O     16.47566786     10.26536839    -13.85709132
  H     15.11078479     11.35954008    -14.58757556
  H     16.63115562     13.96940173    -16.15255225
  O     11.88120103     11.63281010    -14.11822758
  H     13.64917578     11.91062339    -14.61679599
  H     14.15153898     15.49765174    -14.18606882
  O     13.29689128     10.84342768    -17.37639068
  H     15.96192830      9.72747729    -13.23958930
  H     15.67327593     15.18000915    -14.02833319
  O     10.74132737     13.68788162    -15.63838350
  H     16.60940489      9.73932416    -14.65578348
  H     17.18436298     11.75398766    -13.13185205
  O     14.93269299     13.48940302    -11.55557124
  H     11.69959442     10.82698727    -14.61982996
  H     16.48485063     12.86625329    -12.31263305
  O     16.22585053     17.03988923    -11.73494629
  H     11.42369493     12.35743201    -14.56462624
  H     14.50948888     15.60255264    -18.64438571
  O     17.39551031     14.67400399    -14.63359450
  H     12.65730876     10.22209039    -17.01007405
  H     14.84277688     14.49876075    -17.61424833
  O     18.78438424     16.45785124    -12.92766640
  H     13.75746213     11.21070238    -16.60570971
  H     10.97634125      8.61618063    -15.80894933
  O     16.45592092      8.80881568    -16.23557740
  H      9.85120766     14.01021597    -15.75265047
  H     12.46127290      8.79572549    -15.40729257
  O     16.26907795     15.19945328     -9.73637785
  H     11.09171138     13.50188989    -16.52864513
  H     14.75062262      8.33502847    -11.45973434
  O     16.01013805     13.49955802    -16.72435269
  H     14.77651564     14.13642940    -12.26087881
  H     14.18928458      9.65446808    -12.04717045
  O     14.86776740     15.39847467    -13.54319016
  H     15.29394675     13.98099044    -10.80764567
  H     16.21096527     11.78815586    -17.66255326
  O     17.31625434     12.63089626    -12.74974057
  H     15.63032121     16.61654928    -12.37034817
  H     15.07198573     10.81358141    -18.01769659
  O     14.11732011     15.01668354    -18.00225061
  H     17.09497996     17.03553103    -12.15376442
  H     14.77284775      8.28653798    -15.41828641
  O     11.65876519      9.27106906    -15.69151671
  H     17.43373470     13.90981682    -14.03794975
  H     14.18341861      8.26834515    -13.98744253
  O     14.68439751      8.84214720    -12.26367511
  H     17.92582213     15.36436860    -14.21832837
  H     12.37244801     12.34561657    -17.93133676
  O     16.03481170     10.88376651    -17.94965743
  H     19.61979422     16.91689091    -12.92917057
  H     12.63892885     13.84796846    -18.15335941
  O     13.96721324      8.11571257    -14.91641719
  H     18.84942349     15.75834176    -12.25218864
  H     17.96591007     14.64503788    -10.49019062
  O     11.93346731     13.20286420    -18.01772743
  H     17.05547954      8.17980494    -16.62836052
  H     18.37288242     13.68885753    -11.62480690
  O     18.68594498     14.43834865    -11.09905258
  H     16.35300987      9.53319833    -16.87718407
  H     13.89524737     11.97080319    -11.65697228
  O     13.40470992     11.15382872    -11.81991251
  H     16.07651323     15.57299199     -8.88088767
  H     12.74103754     11.35530595    -12.49245230
          69
 Energy    -249.99201737299524     
  O     16.30188253     11.64650129    -12.39860287
  H     16.96469201     10.98578794    -12.16660794
  H     12.77944108     12.18609287    -10.77280054
  O     17.31525279      7.52993563     -8.06442526
  H     16.09741330     12.09820955    -11.56999676
  H     14.24198131      9.62721101    -14.88752733
  O     15.93443061      5.82091955    -11.14006688
  H     17.87214517      7.27898744     -8.81045353
  H     14.96636537      8.42997013    -14.27843020
  O     12.48828756      5.47969589     -9.94437105
  H     17.08727189      8.45755611     -8.21056169
  H     19.19396309      6.16934171    -10.80149066
  O     17.77464358      9.48726088    -11.23548843
  H     15.27103641      5.31866886    -11.62867411
  H     17.66124676      6.34755036    -10.84461242
  O     15.74925326     12.70700612     -9.80974068
  H     15.53318371      6.05825670    -10.28995490
  H     14.33645802      7.35206330     -8.64635671
  O     10.05774659      9.63834779     -9.91417641
  H     12.85452042      5.12306475    -10.76162776
  H     15.68618563      6.70065891     -8.31108636
  O     16.29359665     10.07571918     -8.94825810
  H     13.24405911      5.72109407     -9.39428481
  H     12.93036206     11.44928399    -13.12979478
  O     13.39464359      8.90126269    -11.48852085
  H     17.28362271      9.69031228    -10.42396558
  H     11.49042881     11.05750245    -12.61594854
  O     10.13191064      6.81258163    -10.17584080
  H     18.21958102      8.64668230    -11.07410907
  H     10.80911767      7.33034110    -13.26670375
  O     12.63449861      7.09062982    -13.44946857
  H     15.99697902     13.56688429     -9.48142018
  H      9.92588502      7.24587598    -12.00907379
  O     13.07378449     12.51315134     -9.91142442
  H     14.77484567     12.67701692     -9.81747375
  H      9.00857413     10.61239686    -13.13008801
  O     14.30937394      8.66801631    -14.95011629
  H      9.92657279      9.94586403    -10.81736450
  H      9.83375826      9.32934873    -12.87599622
  O     18.49409634      6.78917792    -10.61077125
  H     10.10705768      8.67462186     -9.95985935
  H     11.03364831     10.41977507     -8.73868328
  O     14.81430910      6.50981483     -8.68538261
  H     16.18828918     11.01976929     -9.12114882
  H     11.16899672     11.02878422     -7.32091576
  O     12.37376064     11.34177441    -12.34723103
  H     15.39749373      9.72044587     -8.86323729
  H     13.30178851      5.54771066    -12.89338412
  O      9.95046442      7.59450243    -12.90947212
  H     13.05628975      9.76254065    -11.76757329
  H     13.48666282      4.01716997    -13.01894554
  O      9.81359359     10.29231683    -12.73179977
  H     14.26296004      8.77337091    -11.89660232
  H     14.55792046     12.15648736    -14.97342750
  O     11.66132728     10.82204612     -8.11023947
  H      9.49153812      6.27858963     -9.71177100
  H     15.07787385     11.54191071    -13.65600805
  O     13.68713309      4.76523444    -12.46247951
  H     10.98861252      6.36456984    -10.06932587
  H     13.52832170      8.95508513     -9.74596845
  O     14.35647651     11.50165741    -14.30966390
  H     12.74990271      7.64062210    -12.65947791
  H     13.03467078      9.60001106     -8.42104708
  O     13.70458450      9.01671010     -8.79321544
  H     13.11032025      7.55829291    -14.15129077
  H     15.84256132      7.30602543    -12.21104030
  O     15.81462773      8.15929162    -12.66228414
  H     12.57819008     12.01825079     -9.24859483
  H     16.51276875      8.69598643    -12.26652649
          69
 Energy    -249.99187502109288     
  O     -1.92614228      0.23804989      3.12370649
  H     -1.99805191     -0.57589544      3.61557916
  H     -2.48613917      6.10368730      0.00019421
  O     -3.72591442      2.12245246     -3.37101053
  H     -0.98271959      0.47048292      3.10424550
  H     -2.72710059      4.39055683     -1.28381340
  O     -2.01512534      4.29081250     -4.21900630
  H     -3.84884095      2.41440444     -2.45320626
  H     -2.11981229      5.00191310     -2.56719055
  O     -4.51692897      4.23773176      1.64883583
  H     -4.59267762      1.90002395     -3.70289703
  H      2.51519636      3.29964247      5.03961234
  O     -0.10275559      0.42698519     -1.29740692
  H     -1.18309619      3.87311925     -4.47007667
  H      2.31631975      3.50957681      3.51886745
  O      1.34400146      2.64514555     -2.16700450
  H     -2.63916421      3.56700629     -4.07916511
  H     -0.60400243      3.64811380      2.09160293
  O     -0.44197515      6.63543179      2.62402092
  H     -4.02925211      3.73423782      2.32498168
  H     -0.10500218      3.80210426      0.61957138
  O      0.67475776      1.14628310      2.79902466
  H     -5.33439226      4.51566420      2.05418265
  H     -4.20193815      3.41935758      0.01557063
  O     -1.25925537      0.72903364     -3.84030800
  H     -0.85676063      0.61202249     -0.72186989
  H     -3.27331371      2.24723787     -0.35808346
  O      1.95137963      0.07615354      0.50732816
  H      0.61980745      0.13936219     -0.72025710
  H     -2.30483466      3.39171188      3.76911319
  O      2.94510326      4.09292214      2.01736182
  H      0.81400592      1.89826952     -1.85019207
  H     -2.79847584      1.96331267      3.46172994
  O     -2.61555276      6.30743216      0.93441036
  H      1.13927016      2.74794678     -3.10457071
  H     -2.22473465      0.69311044      1.28744079
  O     -2.18853829      5.12346259     -1.60922095
  H      0.34661572      6.68990166      2.07436345
  H     -1.56615174      1.96409282      0.71685111
  O      1.90001288      3.15478112      4.32641301
  H     -1.20376524      6.62332840      2.02353082
  H     -0.60471188      5.16719987      3.54103239
  O     -0.43478077      3.17142705      1.26793422
  H      0.37591496      1.81291445      2.15988871
  H      0.15928261      3.94239034      4.14859407
  O     -3.81360721      2.95635048     -0.73800677
  H      1.15730881      1.64564146      3.46893351
  H      1.34627767      5.95099560      0.20557094
  O     -3.08701893      2.88019509      3.51388084
  H     -2.13600767      1.08853084     -3.65741455
  H      2.21494294      7.21149733      0.43036026
  O     -2.10687452      1.19297425      0.47236878
  H     -0.88485068      0.46062388     -2.98978937
  H      0.76793148      4.14730322     -1.33596643
  O     -0.70198983      4.24972639      3.84549313
  H      2.55719839      0.79881444      0.30461825
  H     -0.49225114      5.03345671     -1.09970867
  O      1.85008255      6.44936942      0.87292225
  H      1.58679958      0.28345432      1.37749113
  H      0.66484860      2.52603029     -5.65454291
  O      0.41310311      4.86773821     -0.79936920
  H      2.64405638      4.94623872      1.68061725
  H     -0.22228146      1.93836041     -4.52876360
  O      0.33801477      2.69803708     -4.77567266
  H      3.11086521      3.53740080      1.24673062
  H      2.73715652      2.55798223     -1.02075715
  O      3.38574326      2.45310055     -0.30587562
  H     -3.27853809      5.67878716      1.24247310
  H      4.24277501      2.39815023     -0.72352812
          69
 Energy    -249.99186546324052     
  O     13.39019981     13.46266587    -14.51681678
  H     14.13646280     13.86237977    -14.97907263
  H     15.60574349      9.34952049    -19.91283659
  O     19.21564331     10.55976907    -12.15440107
  H     13.05678111     12.77440210    -15.10550966
  H     16.39000456      9.96796747    -12.97683737
  O     17.44902967     14.05753546    -13.84582004
  H     18.88835658     10.93389701    -11.32763164
  H     16.04728594     11.47445980    -12.74636977
  O     15.68965665      6.30686268    -13.08797155
  H     18.71095463      9.74506217    -12.27897233
  H     12.80195258     10.46864291    -16.76572808
  O     15.91109092      9.43062990    -10.02204607
  H     16.89895943     14.15735611    -14.63170260
  H     13.85799632     11.57875881    -16.66641595
  O     14.28669787      7.25487185    -10.97271292
  H     18.18562819     13.48190279    -14.08670780
  H     16.80433986      8.74399511    -11.44614430
  O     13.51131166     13.34430877    -11.81569726
  H     15.90810555      5.38637089    -12.96732526
  H     16.86104052      7.74036148    -12.63446206
  O     13.02831510      8.81389155    -17.50988265
  H     15.14245891      6.56863495    -12.32519008
  H     12.50641126      9.19327487    -12.66865759
  O     16.64119166      8.52511876    -17.00177749
  H     15.10209340      9.95273508    -10.15199063
  H     11.18755006      8.66123544    -12.05650248
  O     14.56029720      7.64167628    -15.32168563
  H     16.59679174     10.06618530     -9.78707478
  H     15.34637986     13.20473853    -11.63025727
  O     17.35965225     10.90014804    -15.66753172
  H     14.81276365      7.88423298    -10.46406643
  H     16.70032270     13.45606464    -12.38260665
  O     15.31200513      9.66142134    -19.06147114
  H     13.47264587      7.71665828    -11.21098240
  H     19.44271148     11.56820809    -13.55614062
  O     15.91559912     10.72814709    -13.34223062
  H     13.42993750     13.36236234    -12.78560221
  H     20.43539253     12.25304150    -14.52381613
  O     13.00199795     11.30162309    -16.31301440
  H     12.95258460     14.04223682    -11.48321716
  H     17.24754947     12.12896741    -10.45527089
  O     17.25199047      8.54864188    -12.28460121
  H     13.45715726      8.23287634    -16.86965418
  H     18.07644158     12.11911157     -9.14901931
  O     12.09887426      8.85243916    -11.85252424
  H     13.70944340      9.03342599    -18.15843365
  H     16.22154437     11.59048868    -16.83535964
  O     16.28215008     12.97079895    -11.65333707
  H     17.04586963      9.25579754    -16.51648548
  H     15.43567430     11.30595842    -18.13691153
  O     19.50633187     12.12314712    -14.35462505
  H     15.97028116      8.15244239    -16.41319980
  H     12.94988081     10.21958722    -10.84970576
  O     17.79832422     11.57053080     -9.87789388
  H     14.92827566      7.07065408    -14.63659703
  H     13.49905719     11.66182662    -10.92709472
  O     15.54164542     11.95090642    -17.42718019
  H     14.15083333      8.38167173    -14.85231140
  H     15.61912242     15.10086701    -16.64209601
  O     13.59355580     10.82385935    -10.45983400
  H     16.79922399     10.85507495    -14.87808809
  H     15.61623019     13.55676678    -16.65114779
  O     15.64124446     14.33595936    -16.07145207
  H     18.19278904     11.28766478    -15.37731666
  H     13.17906032     10.36414420    -14.77140816
  O     13.42785150      9.84520487    -13.99635858
  H     15.84544547      9.19562707    -18.39032230
  H     14.27551296     10.19999380    -13.68805487
          69
 Energy    -249.99157573946633     
  O      1.29697777      2.05387777     -0.37736438
  H      2.09806237      1.83162062      0.11068615
  H      4.00620766      0.04998412     -0.56614295
  O      2.99815972     -0.04932590     -3.69313511
  H      0.81702067      1.21930601     -0.49831730
  H     -0.57306628     -2.48198476      1.24134964
  O     -1.08955300     -3.80777126      0.03058642
  H      3.66692305     -0.04646422     -4.37221604
  H     -0.21879185     -1.08965547      0.69218312
  O     -1.27267077      2.71449169      0.63674098
  H      3.45628227     -0.19148819     -2.84459350
  H      1.17890566      2.19215863     -2.26101897
  O     -1.49657929      1.54847312     -4.04406900
  H     -1.31886698     -4.71883099     -0.20045885
  H      1.75077737      1.37801707     -3.43650294
  O     -3.74777383     -0.37752268      0.27205694
  H     -1.72522732     -3.24834909     -0.43954129
  H      4.02220842     -3.85380307     -0.03284464
  O      0.78535134     -1.60726060     -3.02845302
  H     -1.43830743      2.03443390      1.30176200
  H      2.67911142     -3.44530648     -0.67592875
  O      3.53313317      1.01232640      0.99600404
  H     -0.33386488      2.66090347      0.41338246
  H     -2.61917811     -5.83859632     -1.59011504
  O     -1.91120463      0.44773749      2.38110065
  H     -1.69852073      2.16004632     -4.74721831
  H     -1.15755514     -6.16348463     -1.93166638
  O     -2.47889838      1.36988638     -1.42025486
  H     -0.57471549      1.72153732     -3.78097179
  H     -2.76132806     -4.37285616     -3.81725577
  O     -3.97546672     -4.73175404     -2.39120910
  H     -3.48439177      0.30160851     -0.36839480
  H     -1.99838055     -3.13057468     -4.31748634
  O      4.12102261     -0.55790228     -1.30677421
  H     -3.27776143     -0.14888825      1.08085013
  H     -1.88158513     -0.36650392     -3.96190843
  O     -0.27617210     -1.60502865      1.51486395
  H      1.04107995     -2.41631345     -2.56734407
  H     -0.87935060     -1.46760629     -3.58786256
  O      1.04955545      1.99553673     -3.19826934
  H      1.57917859     -1.14932126     -3.33070271
  H      0.44828474     -3.82806744     -0.92508424
  O      3.45337932     -3.10553949     -0.19807804
  H      4.11806808      1.38503450      1.65000087
  H      0.93437861     -4.56614461     -2.19752028
  O     -1.79639995     -6.17341965     -1.20918830
  H      3.14957549      0.20613114      1.38698941
  H     -1.04110374      0.22293098     -1.04901965
  O     -2.00117898     -4.09540206     -4.34492250
  H     -2.05684855      0.45996492      3.32426178
  H      0.13193135     -0.64795659     -1.61501948
  O     -1.82065586     -1.30655599     -3.76138416
  H     -1.32727663     -0.30715901      2.20211579
  H      0.31234276     -6.23644768     -4.08019619
  O      1.19759559     -3.91538657     -1.53317425
  H     -2.22644226      1.60496684     -2.31937230
  H     -0.64783046     -5.05717831     -3.80135911
  O     -0.21318553     -0.22095260     -0.82164488
  H     -2.11162186      2.02039037     -0.80060155
  H      2.82711306     -2.00914840      1.24119711
  O      0.04502820     -5.61698308     -3.40660683
  H     -4.92659132     -4.78718218     -2.35425258
  H      1.53416888     -1.44947147      1.86775988
  O      2.49356403     -1.33589282      1.84643793
  H     -3.72862263     -3.88077683     -1.98770434
  H     -3.33989114     -1.71488250     -0.79354714
  O     -3.00261776     -2.37673597     -1.41539524
  H      3.96608602     -1.44306564     -0.95494728
  H     -2.64286140     -1.92046886     -2.18683539
          69
 Energy    -249.99150702034856     
  O     15.86569198      4.95322476    -16.31973378
  H     14.90354336      4.96038578    -16.23917216
  H     17.20519971     11.31349131    -13.87251542
  O     17.89401423      6.18007035     -9.81286725
  H     16.13301180      5.88118414    -16.31908941
  H     16.80589012     10.92726056    -17.39537097
  O     14.65436482     11.33104218    -10.42246403
  H     17.83370395      5.74890598    -10.67585649
  H     17.12512625     10.66141730    -15.90435949
  O     19.57563052      9.40761726    -12.72977801
  H     18.07906360      7.11276676     -9.97775113
  H     15.97608560      9.59689279    -12.59308246
  O     16.67487383      3.23556284    -14.37784449
  H     15.34703435     11.12399069     -9.78427548
  H     16.68179319      8.22874272    -12.92012201
  O     12.78235010      9.16389016    -10.03181491
  H     13.96032273     10.67633955    -10.27996514
  H     13.32191462      4.52620371    -14.82147633
  O     15.54850231      5.67017662     -8.56857422
  H     20.51186350      9.48190872    -12.56146773
  H     12.32638192      4.64115564    -16.00107401
  O     13.71169057      7.49305815    -11.98631225
  H     19.14508275      9.31082242    -11.86409365
  H     15.99574957      9.64519342     -8.31626931
  O     14.80754800      8.39377365     -8.18850267
  H     16.46403055      3.84126959    -15.11149939
  H     16.75922131     10.82677104     -7.67094219
  O     16.28283676      7.71622607    -15.91865018
  H     17.11856501      2.48361200    -14.76053036
  H     14.87597825      5.16292815    -10.25572674
  O     17.28826942      5.10154510    -12.36399881
  H     11.83192520      9.24321536    -10.02413892
  H     15.61424504      5.10069695    -11.61295760
  O     17.95864484     11.08403224    -14.43872154
  H     13.00795657      8.55990206    -10.75910281
  H     15.22207369     11.45952212    -12.12063215
  O     16.56416267     10.38313402    -16.65116550
  H     16.42974177      5.84739169     -8.94677328
  H     14.95049236     11.14184094    -13.64912121
  O     16.10289853      8.68396529    -12.29674299
  H     15.67947792      5.08061203     -7.83038927
  H     17.31458566      8.83864106    -11.01424416
  O     13.08875602      5.05512272    -15.60581335
  H     13.92052665      6.59015488    -11.71329436
  H     17.75198291      9.51285535     -9.70278454
  O     16.62066811     10.37163314     -8.49716047
  H     14.56628075      7.95292516    -12.04632812
  H     13.62662986      7.61697096    -13.82676696
  O     14.73721915      5.04728937    -11.20319562
  H     14.03993591      8.59352769     -8.73880371
  H     13.39364035      6.82985979    -15.13617598
  O     15.63429441     11.30997597    -12.98330348
  H     14.99665756      7.45452056     -8.29959043
  H     14.08080477      4.01736393    -12.62356433
  O     18.07906738      8.97014170    -10.43061139
  H     16.41039292      8.59139814    -16.30585157
  H     14.85552146      3.31681364    -13.75261033
  O     13.71384661      7.67156579    -14.78799225
  H     15.41023613      7.72069152    -15.49779130
  H     14.82103682     10.50942665    -15.74787285
  O     13.97157760      3.60232674    -13.48912386
  H     17.58217236      5.86115621    -12.88825844
  H     13.81578330      9.56575703    -15.06011236
  O     14.09473656     10.48867108    -15.11252754
  H     17.18122189      4.37237796    -12.98714924
  H     18.64895310      8.00658615    -13.65390982
  O     18.00145438      7.31267209    -13.82389093
  H     18.58113263     10.60968877    -13.87870214
  H     17.54065123      7.48787588    -14.65754030
          69
 Energy    -249.99146522286395     
  O     12.44460690     11.56771254    -13.96358146
  H     12.25492024     12.49830251    -13.86774338
  H     15.09422893      6.17278066    -11.12527755
  O     14.86245074      6.29261369    -17.42740884
  H     12.83719240     11.27583105    -13.12380624
  H     14.43559701      8.41532732    -13.86595711
  O     13.64204346      5.78027086    -12.13635771
  H     14.33713895      5.56402850    -17.07401577
  H     13.45746704      8.92169296    -12.78241388
  O     17.51544700      4.67399398    -12.18570090
  H     14.26292491      7.03825982    -17.55159713
  H     13.57451695     10.86281013    -15.34439243
  O     13.71092026      4.02964047    -16.03740110
  H     12.73303268      5.48314429    -12.01846537
  H     14.90102835     10.08049771    -15.52483009
  O     10.38358620      9.51769746    -13.70006399
  H     13.59522662      6.64465412    -12.57387669
  H     10.98488168      5.10419265    -13.15919801
  O     13.15374932      8.57477262    -17.65182834
  H     18.13353883      5.26895237    -12.62458479
  H     10.30607266      4.53500896    -11.89012966
  O     14.96215289      8.48537895     -9.04861262
  H     17.06570390      5.20775964    -11.51564647
  H     10.52630633      8.50945853    -12.18609680
  O     18.87283654      6.71347554    -13.77241807
  H     14.31897522      4.09420702    -15.28193353
  H     10.71498584      7.04970946    -11.68132603
  O     11.70481127      7.72503844    -15.39643692
  H     13.82710940      3.15593643    -16.40415465
  H     14.67971978      4.88100192    -13.28884852
  O     16.69931952      6.38318670    -15.43663203
  H     10.64122837      8.89511313    -14.39394927
  H     16.13000901      4.34475874    -13.31900544
  O     15.90348066      6.48848789    -10.69906422
  H     10.96071028     10.27912326    -13.82326742
  H     12.05537199      4.62095128    -15.28199797
  O     13.61504882      8.20106819    -13.40334374
  H     13.53068637      9.30075805    -17.12267348
  H     11.33697414      5.97294614    -15.12262100
  O     14.15970126     10.47294569    -16.00506230
  H     12.87432505      8.95426399    -18.48074150
  H     11.67770420      8.70148331    -10.20201054
  O     10.90509369      5.21134900    -12.19367950
  H     15.39658155      9.24479431     -9.45326355
  H     11.66776211      9.51284789     -8.88599967
  O     10.73219323      7.97251127    -11.40708562
  H     14.01481676      8.63891603     -9.15687714
  H     16.25390915      8.09503683    -14.98801796
  O     15.34619833      4.48476533    -13.86911624
  H     19.71956356      6.66827599    -14.20916598
  H     16.47993799      8.91181778    -13.70354881
  O     11.29945551      5.04195470    -14.85800942
  H     18.19688573      6.59121859    -14.46082343
  H     14.45703448     10.55933853    -11.41755825
  O     12.23922244      9.20802202     -9.58561160
  H     12.36586323      7.89579170    -14.70837129
  H     13.03926628     10.13809931    -10.93813780
  O     16.02381965      8.92908441    -14.55428415
  H     12.10046157      7.99299026    -16.23404837
  H     16.69312659      9.80543292    -11.24339144
  O     13.53592233     10.47745883    -11.69524984
  H     16.24793768      5.75299147    -14.85789118
  H     16.82429985     11.16575427    -10.52263146
  O     16.19533741     10.49187295    -10.76840154
  H     16.19303287      6.38651024    -16.26293356
  H     18.00616786      7.92062037    -12.61082640
  O     17.32243608      8.39234743    -12.12010915
  H     15.61850314      7.07868373     -9.98696588
  H     16.81218215      7.71743519    -11.64501178
          69
 Energy    -249.99115329387496     
  O     10.43847030     10.19849036    -12.11289419
  H     11.28940690     10.62618289    -12.27674445
  H     16.14180282      8.08871343    -17.45983595
  O     13.91203893      7.38169330    -15.38946656
  H     10.60147649      9.49462221    -11.47200780
  H     15.76050449     12.14594699    -14.02340369
  O     17.64347236     10.25743638    -11.05001477
  H     13.66741236      6.82605560    -14.63535086
  H     15.18193997     13.57163914    -14.19344903
  O     18.30294546      9.72829562    -15.75021842
  H     13.27656092      8.11018307    -15.41665912
  H     15.12013262      8.28728492    -14.39926825
  O     12.29249037      9.62352832    -15.16800026
  H     18.23483980     10.66158842    -10.42090826
  H     16.15044991      9.41923860    -14.01948958
  O     15.76319050      5.75369435     -9.78300828
  H     17.74674930      9.29348864    -10.94806675
  H     10.52987044      7.67981363     -9.63029943
  O     13.20069829      6.07174013    -13.04414435
  H     17.71378386      9.85747326    -16.50557551
  H     11.85993958      7.69698597    -10.41502058
  O     14.88976559      9.65582028    -11.34757790
  H     18.51583530      8.78808936    -15.74451738
  H     17.97705801      6.52135133    -14.21119430
  O     16.35987407      9.93386989    -17.81745024
  H     12.54790538     10.06542558    -14.34583883
  H     16.85166062      7.26196008    -13.46558841
  O     15.60344580      4.76424417    -12.28945281
  H     11.35986875      9.39453038    -15.07487077
  H     10.50561888      6.97810572    -12.12827966
  O     17.13111853     11.10145349    -13.73874155
  H     15.92097145      5.07395988     -9.13354983
  H     10.17263715      7.29633095    -13.59322971
  O     16.11151759      7.18727363    -17.11479890
  H     15.72663402      5.30936368    -10.65074212
  H     19.10491147      6.35198652    -16.52124218
  O     14.94683228     12.64758105    -14.20951455
  H     12.23642673      6.10296356    -13.13144088
  H     17.65990606      6.89025742    -16.38912902
  O     15.71100082      8.61912754    -13.71121935
  H     13.39925452      6.54198076    -12.22473247
  H     17.14803099      7.01956758    -10.32554467
  O     10.91307940      7.90700227    -10.47400177
  H     15.72388730     10.00938216    -11.02141434
  H     17.86342823      7.15753674    -11.67779754
  O     17.49235670      6.53927059    -13.37823443
  H     15.11979100      9.20745384    -12.17985384
  H     14.50137572     11.70217292    -15.79566942
  O     10.50078747      6.59726809    -13.01554990
  H     16.40270837     10.30408048    -18.69506364
  H     13.52648806     10.57716655    -16.19375254
  O     18.53121620      6.85746093    -15.95216287
  H     15.60011667     10.35253183    -17.37501996
  H     14.28351189      6.80576479    -10.13952668
  O     17.78350486      7.56405949    -10.80318037
  H     14.76054211      5.02559770    -12.68173479
  H     14.04088834      8.22726583    -10.70898708
  O     14.29951286     11.07088875    -16.49623438
  H     16.29221489      5.24997920    -12.76432689
  H     13.61916885     10.61189629    -12.23132109
  O     13.60685094      7.38422912    -10.51267011
  H     17.70519594     10.69459926    -14.40736074
  H     13.57776286     11.73403369    -13.28540098
  O     13.03177561     11.06787486    -12.84996018
  H     17.42431378     10.82800690    -12.86104989
  H      8.79141004      9.22614757    -14.69530410
  O      9.66938251      8.98394794    -14.41402183
  H     15.29734789      7.12768749    -16.59733413
  H      9.84632042      9.46919423    -13.58703542
          69
 Ord_Energy   -249.991058    
 O    3.36367965       10.2028246      -10.2622080    
 H    4.25504541       9.89614582      -10.4871140    
 H    2.94366622       10.4254284      -11.1025677    
 O   0.280636579       12.6683311      -9.96691704    
 H   0.622326553       12.8723145      -10.8468838    
 H  -0.656882405       12.8978281      -9.97424412    
 O   -1.69693029       12.4697056      -12.9642000    
 H  -0.758365333       12.6911888      -12.9474649    
 H   -2.04894447       12.7271318      -12.1030989    
 O   0.570902884       8.08572388      -7.97913742    
 H   0.563839436       8.76791954      -7.29548359    
 H  -0.235375136       7.56382084      -7.87337685    
 O    4.60259505E-02   9.11785793      -12.7540808    
 H  -0.112452254       9.34447479      -11.8227949    
 H  -0.758802116       9.33244896      -13.2391787    
 O    2.55869555       7.57638168      -9.74324989    
 H    1.91697466       7.62395573      -9.02125931    
 H    2.81605196       8.48850822      -9.93795300    
 O   -2.51122999       13.0204010      -10.2867746    
 H   -3.17229104       13.6045952      -9.92552090    
 H   -2.74662209       12.1183701      -10.0058413    
 O   -1.67199326       6.54755211      -10.4587507    
 H   -2.24663019       7.16130972      -10.9401388    
 H  -0.860271990       6.45025539      -10.9667253    
 O   -2.85036564       10.4287930      -9.56760311    
 H   -1.96564162       10.1599531      -9.85852337    
 H   -2.88659263       10.1897802      -8.63055611    
 O    5.60771275       8.98194504      -11.2971783    
 H    5.52579737       8.05271626      -11.0484552    
 H    5.32517338       9.02586079      -12.2193193    
 O    3.42748475       6.51324749      -13.1287622    
 H    3.96859550       6.28584194      -12.3618288    
 H    2.51093507       6.42370987      -12.8382311    
 O   -2.36383176       10.0000830      -13.8605556    
 H   -2.77009606       10.0534267      -14.7212410    
 H   -2.17749119       10.9131594      -13.5780296    
 O   -2.42543054       9.54920387      -7.00572920    
 H   -1.55866361       9.86004925      -6.71935654    
 H   -2.32446146       8.60773087      -7.19987392    
 O    1.95874035       11.4641151      -8.13631344    
 H    1.43439937       12.0807791      -8.66596222    
 H    2.55097198       11.0256653      -8.76094627    
 O   0.340549052       10.2880621      -6.31075478    
 H   0.938804626       10.7604342      -6.91800785    
 H   0.616534293       10.5153399      -5.42670298    
 O   0.887973070       6.64602184      -11.8449459    
 H    1.43459952       6.93632793      -11.1010294    
 H   0.577269375       7.45182991      -12.2840223    
 O   -1.89557338       6.83554506      -7.80876541    
 H   -1.87019014       6.69845915      -8.77478695    
 H   -2.26102400       6.04117298      -7.43000126    
 O   -3.29811478       8.49285793      -11.5978947    
 H   -3.08333755       8.97858524      -12.4023962    
 H   -3.37545776       9.15652466      -10.9008341    
 O    2.33075976       10.6039162      -12.8807983    
 H    3.04587388       10.1128759      -13.3041830    
 H    1.53822184       10.0459814      -12.9175396    
 O  -0.197783262       9.84756374      -10.1329699    
 H   0.119743191       10.7423639      -9.95798492    
 H    9.85954329E-02   9.27115822      -9.41885281    
 O    4.33711147       8.94550037      -13.8983192    
 H    3.98522449       8.06090069      -13.6897554    
 H    4.77448225       8.87387657      -14.7424879    
 O    4.79948044       6.29685974      -10.6368265    
 H    5.10361910       5.59719515      -10.0650139    
 H    4.00170898       6.67123461      -10.2230816    
 O    1.10918283       13.0234671      -12.6378107    
 H    1.60259116       12.1988668      -12.7869272    
 H    1.62126720       13.7262993      -13.0298748    
          69
 Energy    -249.99050998585500     
  O     13.14405678     11.75992450    -15.23757777
  H     13.95918180     12.21450958    -14.99611669
  H     13.64956998      6.33266124    -16.54973806
  O     14.82486777      6.19732964    -13.63510944
  H     13.41131687     11.01482239    -15.79363776
  H     19.99663766      5.85096222    -12.73900273
  O     17.05412885      9.07552449    -10.82034533
  H     14.63975170      5.93735579    -14.55099160
  H     19.43172203      7.28251227    -12.54956566
  O     19.55605254     10.15664839    -14.72751688
  H     14.00541850      6.44923708    -13.19021674
  H     17.14156851     10.93699522    -16.82095626
  O     12.12298655      7.49919301    -16.72536276
  H     16.36883862      9.19767527    -10.14780839
  H     16.89876377     11.89149435    -15.61771623
  O     14.74211939      9.09409490     -9.30770844
  H     16.93771185      8.17125176    -11.14363029
  H     15.36234233      7.79194015    -14.25798664
  O     12.82731878      7.18677185    -11.96619161
  H     18.85043962     10.64363564    -15.18939360
  H     16.64277102      8.35950306    -14.90447721
  O     15.79102566     10.58034123    -12.76121595
  H     20.38232120     10.50567432    -15.05246850
  H     11.96722435     11.20194839    -14.10767571
  O     16.66207887      7.13677742    -17.48950128
  H     11.36832108      7.25567239    -17.25426065
  H     10.60932029     11.40015345    -13.38924489
  O     14.54236455      6.25872354     -9.87607442
  H     11.79455169      7.65232425    -15.82074096
  H     16.06279115      6.25349532    -12.39441578
  O     18.32917102      7.67625986    -15.25223546
  H     14.12842000      9.46524095     -9.95530828
  H     17.56135037      6.23505583    -11.99577815
  O     14.44582375      5.85741880    -16.28772827
  H     14.59845674      8.14005348     -9.33278950
  H     11.69341010      7.61681095    -13.42460500
  O     19.21434318      6.38290505    -12.85699000
  H     13.23111780      6.75852656    -11.20235085
  H     11.24664016      8.98474601    -13.97721378
  O     17.57159655     11.37530524    -16.07667290
  H     12.99956098      8.13443441    -11.85513048
  H     18.77254815      9.17449529    -11.58886555
  O     15.75567091      8.60166860    -14.61024867
  H     15.77049980      9.91381389    -13.46652993
  H     19.51042718      9.50260230    -12.92004553
  O     11.35641918     10.81191598    -13.45620289
  H     16.30722459     10.19066680    -12.04399753
  H     16.02750284     10.26524775    -19.04556603
  O     16.67320294      6.38286003    -11.65067704
  H     16.58415097      8.03234766    -17.83526660
  H     15.37718115      9.84521114    -17.70669039
  O     11.31992517      8.04898381    -14.20251871
  H     17.34826473      7.18815084    -16.81107223
  H     14.12657425     10.21054924    -12.04925936
  O     19.55129568      8.96245618    -12.12104727
  H     14.57470728      5.50241237     -9.29531121
  H     12.58258646     10.29972876    -12.15478732
  O     16.22832907      9.96404303    -18.16275226
  H     15.34959296      6.22831615    -10.41594670
  H     15.75251478     12.03373140    -13.73322755
  O     13.30214406      9.91474557    -11.63956581
  H     18.84069148      8.49082645    -15.15850002
  H     15.90315239     13.55583273    -13.97010019
  O     15.68793468     12.73500239    -14.40601206
  H     18.59530732      7.10257741    -14.52385656
  H     13.36223888      8.84266601    -16.74645238
  O     14.05168985      9.50183135    -16.59888456
  H     15.18472934      6.25394448    -16.77204605
  H     14.63392818      9.15578221    -15.90442315
          69
 Energy    -249.98998757138287     
  O     16.31102664     18.12192610    -14.14263052
  H     15.94231732     18.99388737    -14.02647857
  H     14.84498527     11.68296726    -13.78898796
  O     22.01830316     14.50327980    -14.61495996
  H     16.53558083     18.04011606    -15.08710696
  H     21.41082407     16.30099452    -14.89811279
  O     15.19363211     13.51163706    -13.72978917
  H     22.78866125     14.26557110    -14.10386781
  H     20.30449684     17.20088985    -14.31034669
  O     16.96566608     12.09533343    -17.46701875
  H     21.28736453     13.95420673    -14.28478445
  H     17.48053824     11.83534791    -12.27142897
  O     17.13617915     10.03764677    -12.43463607
  H     15.33072014     13.76375374    -14.65400811
  H     16.75009302     13.04294976    -12.91191092
  O     15.72171016      9.79575463    -16.41279467
  H     15.08019414     14.34107448    -13.24409424
  H     17.92299500      9.55423278    -14.16808559
  O     21.34315218     13.25924615    -17.15750196
  H     16.45996354     11.30875589    -17.22844539
  H     18.67054428      9.98660800    -15.46066316
  O     19.54627987     15.29633513    -17.87204984
  H     16.53772641     12.84317191    -17.02599350
  H     15.07868134     16.27490720    -19.10830344
  O     15.36128642     15.96324925    -12.48182635
  H     16.97447801      9.34977611    -11.79457835
  H     16.34969897     15.42296344    -18.87773387
  O     19.82262882     12.96498583    -13.98498194
  H     16.28599885     10.21472131    -12.88015434
  H     17.92976772     17.46790987    -13.55413746
  O     19.89690341     18.02236684    -17.30673439
  H     15.38812295      9.01780599    -16.85205370
  H     18.53688890     16.41181419    -12.58879667
  O     14.91429224     10.71841280    -13.81276722
  H     16.55245032      9.53671522    -15.97322394
  H     16.66451762     17.32328753    -17.36986793
  O     21.00251505     17.17135320    -14.97920067
  H     21.74976028     13.67610143    -16.38950264
  H     18.01687118     17.96954112    -16.96543025
  O     17.53923237     12.78936325    -12.40949596
  H     20.81641435     13.95667876    -17.57173290
  H     17.81963527     14.35438906    -11.57887360
  O     18.05363406      9.33563325    -15.09789136
  H     19.75912883     16.23601883    -17.89996407
  H     18.10058268     15.20900709    -10.32297532
  O     15.75550845     16.07677069    -18.46694085
  H     19.14143561     15.15643685    -17.00280653
  H     20.15185429     11.98095258    -16.67806636
  O     18.72646701     16.95363760    -13.36510799
  H     15.57573510     16.68459021    -13.08635795
  H     18.61242333     11.73198345    -16.73465459
  O     17.08830834     17.89215443    -16.71594209
  H     16.14874859     15.83322613    -11.94071600
  H     18.50334133     15.71612563    -14.74170997
  O     17.90115448     15.26635651    -11.25422872
  H     19.69466318     12.34707316    -14.72179429
  H     18.88925403     14.23286981    -14.92655985
  O     19.42325994     11.49709162    -16.26176875
  H     19.08233560     12.85664892    -13.37499407
  H     18.28318313     14.54222060    -18.97406480
  O     18.40843700     14.96222144    -15.33625028
  H     20.39540734     18.75093503    -17.66630710
  H     17.32367869     13.33674813    -18.90512722
  O     17.47195279     14.17689456    -19.35672321
  H     20.34066303     17.75950855    -16.47979390
  H     16.76893349     14.63673545    -15.89899905
  O     15.90121877     14.35964925    -16.23557899
  H     15.03196277     10.46647167    -14.73667452
  H     15.67449495     14.96665976    -16.94872145
          69
 Energy    -249.98983395517428     
  O     -0.83290810      0.34191033      1.88312047
  H     -1.23325006     -0.27675248      2.51849254
  H     -2.64125089      4.93379375      0.84489757
  O      2.08618491     -0.10758749      5.06307698
  H     -1.57093693      0.82177034      1.49049912
  H     -3.00828344      5.01514936      6.17380489
  O     -4.52807981     -3.61827459      4.39477555
  H      1.94673814     -0.85356334      4.45183971
  H     -3.39466068      4.09820903      4.98965000
  O     -4.60329095     -1.65081138      2.40026605
  H      3.00375333     -0.13124097      5.32073417
  H     -1.84933039      2.70538938      6.15424326
  O     -3.64565835     -1.04191948     -0.20034153
  H     -3.85826881     -4.15353908      3.95236115
  H     -0.82465651      1.80693251      5.42618239
  O     -3.25373864      1.43526603      1.03030312
  H     -4.81293538     -2.98594494      3.72174540
  H     -4.75597699      2.82454207      3.55271369
  O      0.58217607     -1.68654983      0.71839677
  H     -4.47292554     -1.59492704      1.44790155
  H     -4.01727754      3.96596810      2.82699961
  O      1.58622151     -2.14655252      3.37315697
  H     -3.71374221     -1.59759103      2.78769142
  H      0.76000883     -0.40146721      6.43569743
  O     -0.58150148     -3.50436510      4.37862224
  H     -4.06056386     -0.95084474     -1.05500150
  H     -0.46408552      0.36276158      6.95946960
  O     -2.47930914     -4.86048871      2.80174069
  H     -3.49281086     -0.14157094      0.12942882
  H     -1.41313197      4.36816572      4.19579140
  O     -4.80514619      0.96612721      3.33230698
  H     -3.08062103      2.38479284      0.99193720
  H     -0.34695759      3.45316446      3.56407656
  O     -2.71984463      4.14463131      1.37380691
  H     -3.76555631      1.28547628      1.83901886
  H     -1.57223614     -2.02251920      3.93804992
  O     -2.69357572      4.29299418      5.63667549
  H      0.13733206     -0.88943585      1.05501740
  H     -2.47449242     -0.81693036      4.38006047
  O     -1.41267677      1.84573073      6.19486766
  H      1.11317023     -1.41302632     -0.02548977
  H     -2.22761243     -2.74456814      6.99273742
  O     -4.47350545      3.74404237      3.64723013
  H      0.89780456     -2.71100107      3.75642661
  H     -0.82779548     -2.07830328      7.05443868
  O      0.01216742     -0.47181158      7.04103416
  H      1.36910999     -2.06300800      2.43908963
  H     -4.72637415     -2.62810008      7.40785506
  O     -0.90936122      4.21880868      3.38625289
  H     -0.80803877     -3.43381557      5.32027691
  H     -4.26202707     -2.82665260      5.94662265
  O     -2.09572398     -1.27676786      3.62004669
  H     -1.18091746     -4.12610406      3.95135999
  H     -0.98779406     -2.78162684      0.70152609
  O     -1.28409619     -2.92292399      6.91702950
  H     -2.29833069     -4.27158425      2.04806573
  H     -2.45567594     -2.49090983      0.35465368
  O     -4.08637545     -2.33101263      6.76634796
  H     -2.47661548     -5.75003639      2.45740268
  H      1.02325051      1.21497592      4.34982349
  O     -1.87335255     -3.16515104      0.72215624
  H     -4.37436042      0.78373052      4.18190198
  H     -0.02811427      1.29394397      3.21443976
  O      0.32156078      1.76750411      3.98179586
  H     -5.02020474      0.09318809      2.97977918
  H     -2.77798084      0.67800987      5.95950469
  O     -3.47853115      0.13060983      5.57983985
  H     -2.01353723      4.18471448      2.04428917
  H     -3.67808613     -0.61427112      6.16032390
          69
 Energy    -249.98964545354349     
  O      0.50242690      2.29309275      3.09546203
  H      1.20869277      1.65719668      3.25551285
  H      1.19252057     -4.03800391      2.00942179
  O      0.62257489      3.35983524      0.41101993
  H      0.66982518      2.67295151      2.22345790
  H     -0.43571510     -4.38713909      3.64479551
  O     -1.25341038     -1.50662368      4.48980491
  H      0.83419731      4.26817120      0.21259352
  H     -1.37033238     -3.33236170      4.26634156
  O      1.48118884     -3.43233845     -2.34977665
  H     -0.34439035      3.27168937      0.31958305
  H     -4.36371094      0.21460010      5.09949683
  O     -1.63244107     -0.97426887     -3.86612997
  H     -2.02196930     -1.00828072      4.78709790
  H     -3.93086778     -0.56487692      3.83599802
  O      1.14640306     -0.86436293     -3.14444642
  H     -1.16482924     -1.28064927      3.55081447
  H     -2.79245952     -0.53834446     -0.53507036
  O     -2.17841006      1.83078264      2.81749692
  H      1.43846845     -2.49924494     -2.62852215
  H     -2.80934709     -2.04636873     -0.12781153
  O     -3.39197512     -4.40636830      2.21766291
  H      2.16356645     -3.84318985     -2.87369554
  H     -1.69489992     -3.62751652     -1.91349031
  O     -1.82526246      0.60574289     -1.54913683
  H     -1.62043324     -1.88234443     -3.51396837
  H     -0.40435610     -3.59607910     -2.74413435
  O      0.93084887      0.94880149     -1.01834987
  H     -2.08788650     -1.00915922     -4.70283369
  H     -1.43215763      0.31875691      2.15760973
  O     -4.35810604     -1.68806270      2.55402937
  H      0.26064742     -0.81441032     -3.52432739
  H     -1.84701772     -0.88279140      1.28300709
  O      1.32578138     -4.30567496      2.93340212
  H      1.19157269     -0.15970652     -2.48419549
  H      1.11813641     -2.43863986      0.61494903
  O     -1.34151955     -4.24364200      3.94242315
  H     -2.65733457      1.36963932      3.51544271
  H      1.13648092     -3.48065062     -0.53201319
  O     -3.61748995      0.04170370      4.53205640
  H     -1.28628734      2.05654228      3.12918625
  H      0.57691916     -1.72725763      4.70470152
  O     -3.18625678     -1.17818797      0.07363385
  H     -2.66973594     -4.41208929      2.87183705
  H      1.54368512     -2.72413980      4.03670091
  O     -1.35834594     -3.46380235     -2.80456270
  H     -3.91951791     -5.18374626      2.38076796
  H      0.48911642     -0.66009149      1.38469375
  O     -1.15807432     -0.56604346      1.87891226
  H     -1.86217694      0.16250074     -2.40611755
  H      1.96045613     -0.40105032      1.80124050
  O      0.87197429     -3.34848917      0.38719233
  H     -0.88582531      0.70474536     -1.33965169
  H      3.43582347      0.50303758      3.76744276
  O      1.51352185     -1.89834249      4.53341590
  H      0.94193867      1.82890178     -0.62334288
  H      2.23838389     -0.47052847      3.88177728
  O      1.41183516     -0.75311794      1.09092103
  H      1.18208626      0.33417337     -0.31352431
  H     -1.00072702     -3.56551602      0.19557490
  O      2.57770002      0.30689527      3.40177765
  H     -4.14081162     -1.38039092      1.66299703
  H     -2.41923347     -4.00278849      0.68645941
  O     -1.92688274     -3.65167983     -0.06665525
  H     -4.13132319     -2.62481062      2.54988599
  H     -2.26351019      2.53055807      1.08429045
  O     -2.02914953      2.86244575      0.20608041
  H      1.94498260     -5.03164832      2.92140653
  H     -2.16803876      2.14133580     -0.41981886
          69
 Energy    -249.98920842363310     
  O     17.52264280      7.08716865    -13.53180731
  H     17.99392322      7.25206526    -14.35819353
  H     11.86022441     11.08819997    -15.74341749
  O     14.06687707      9.28507534    -11.59773749
  H     16.76249108      6.50966208    -13.68908473
  H     14.45698322      6.18982577     -8.97890649
  O     18.99751862      8.10708308    -15.66921230
  H     14.65857078      9.26861148    -12.36811124
  H     14.67020354      6.46480568     -7.47203274
  O     15.17926647      5.60801132    -13.61624483
  H     14.64464149      9.20180761    -10.82820759
  H     17.69423531      6.15061052    -10.12422263
  O     18.21675983      7.72153179    -10.95929346
  H     19.75829521      7.77827285    -16.14087741
  H     16.56303881      5.78140519     -9.14589172
  O     19.68580452     10.12751394    -11.18582418
  H     19.31863511      8.80313173    -15.06455021
  H     16.87341306     12.25831170    -13.74486961
  O     16.01700480      8.91766804     -9.67562119
  H     14.45324164      6.09921303    -13.20474873
  H     16.15246959     10.99080480    -13.27130712
  O     11.60773929      7.76218896    -14.76725597
  H     15.40821900      4.90527083    -12.99428951
  H     16.36348382      4.38270333    -10.89977320
  O     17.34848404     10.21893415    -16.74645003
  H     18.83639768      8.45899340    -10.99967642
  H     16.04251369      2.95774113    -11.40861793
  O     13.99778237      6.65300164    -15.98544321
  H     18.02586537      7.46311389    -11.87362213
  H     16.49302374      8.57510480    -13.58775381
  O     14.77165142      9.26751922    -16.24581688
  H     18.87884175     10.61640700    -10.94104187
  H     15.50416180      9.26558201    -14.57452113
  O     12.34837538     10.42448804    -15.26276496
  H     20.38538241     10.45250282    -10.62541320
  H     19.24207450     10.93233559    -14.29863803
  O     15.03083757      6.64401550     -8.33614843
  H     15.65599981      8.23685775     -9.09428835
  H     19.72867903     10.13895152    -13.05844495
  O     17.20467184      5.40154117     -9.75826999
  H     16.76117756      8.50431451    -10.13768013
  H     17.82829898     11.58750893    -15.76737886
  O     16.24199656     11.94015862    -13.08928331
  H     11.81673167      8.69718930    -14.91850072
  H     18.50224479     12.97622665    -15.67430946
  O     15.78734658      3.87199280    -11.49693623
  H     10.69446033      7.64123060    -15.01725888
  H     13.29618077      7.76362523    -12.06672841
  O     15.84532360      9.28409106    -13.67141536
  H     17.87468383      9.44620916    -16.50818925
  H     12.40524049      7.14721097    -13.17381101
  O     19.69689386     10.12737651    -14.02247662
  H     16.42620030      9.93084343    -16.71597420
  H     16.77120117     10.64292725    -10.15250983
  O     18.14761442     12.26665703    -15.14544061
  H     13.12495193      6.86534250    -15.63304551
  H     16.89519548     11.62713635    -11.35251533
  O     12.98572227      6.92354063    -12.43829429
  H     14.45232368      6.15941144    -15.29057900
  H     13.45978165     10.87775889    -12.39734566
  O     17.34184084     11.30780243    -10.55702935
  H     13.95269384      9.73258274    -16.04138915
  H     14.31863845     11.93519652    -13.10244765
  O     13.42312585     11.57469819    -13.06730455
  H     14.56264030      8.32092008    -16.28056095
  H     14.25016070      4.69329893    -10.64954838
  O     13.62450777      5.30311322    -10.24007968
  H     12.71268874     10.86563656    -14.47409697
  H     13.25431641      5.82459219    -10.96492673
          69
 Energy    -249.98901776379415     
  O      1.56006417      2.07891520      3.11781565
  H      2.02670052      1.25651600      3.30278359
  H     -1.58182437     -3.06989952      4.65606697
  O      0.92535750      3.07085472      0.67806606
  H      0.76013055      2.08276905      3.66126753
  H     -3.93270935     -0.42286880      3.62987383
  O     -0.60789505     -1.58744397      5.34949271
  H      1.19348005      2.72183113      1.54715602
  H     -3.91444768      1.12467031      3.73324499
  O      0.68664346     -3.46698115     -2.46391018
  H      1.31731537      3.93641220      0.59841261
  H     -2.13318855     -1.27179845     -0.33663458
  O     -1.92861715     -0.46327418     -3.75474204
  H     -1.14737494     -0.97413590      5.86108353
  H     -1.47497357     -2.59686112      0.14446932
  O      0.86464264     -0.85926067     -3.18490052
  H     -0.60329700     -1.23751971      4.44549005
  H     -2.39617198     -2.83474171     -1.83736571
  O     -3.29270518      2.76843967      2.95911151
  H      1.25077002     -4.00112911     -3.01656107
  H     -1.23698946     -3.31238054     -2.72720227
  O     -1.70145274      0.35426853     -1.06960568
  H      0.82234212     -2.54131219     -2.73618295
  H     -0.95059072      0.45364564      3.18916517
  O      1.06132375      0.74316131     -0.88723380
  H     -2.47324032     -0.30003631     -4.51951398
  H     -1.72555766     -0.79895406      2.65246985
  O     -3.28988177     -1.75396144      2.52734364
  H     -2.08435088     -1.38732499     -3.48802567
  H      0.47009800     -3.42963821     -0.63425397
  O      0.45733945     -4.56166312      2.72786952
  H     -0.01241025     -0.62064772     -3.50968367
  H      0.72940536     -2.48627797      0.58362892
  O     -1.96735907     -3.66725533      4.00138598
  H      1.06577634     -0.23887168     -2.47107692
  H      1.03586543     -2.32353749      4.95587209
  O     -4.03906019      0.31614312      4.24509633
  H     -2.84338569      2.68666564      2.09786768
  H      1.43402417     -3.32538445      3.85907065
  O     -2.32426202     -2.17574701     -0.04534079
  H     -3.83753771      3.54905380      2.91050698
  H      0.52080067     -0.74226474      1.75588495
  O     -2.14483034     -2.98661365     -2.75856644
  H     -0.74229085      0.47266544     -1.01001385
  H      2.05870047     -0.81997788      1.85292790
  O     -0.84780588     -0.41714645      2.78663196
  H     -1.89806295      0.21175145     -2.00388211
  H     -1.74158052      2.38364622      3.91124969
  O      0.26627816     -3.28957760      0.29885169
  H      1.09768080      1.61983047     -0.48557294
  H     -1.30828868      1.52814954      5.12412458
  O      1.78780047     -2.63556261      4.43261267
  H      1.24205232      0.11632401     -0.17044777
  H     -2.99451181      0.34819626      5.63145904
  O      1.32128747     -0.95370879      1.24673901
  H     -3.15028668     -1.95557980      1.59302954
  H     -2.75585201      0.61295453      7.13896709
  O     -0.97735250      1.96249609      4.32770458
  H     -2.95125670     -2.50767973      3.03584023
  H      3.93049629     -0.44656942      3.62927599
  O     -2.30641669      0.43765886      6.31726003
  H      0.68009495     -5.48332345      2.61899572
  H      2.61115665     -1.22696271      3.82543934
  O      3.00360675     -0.44001472      3.40595179
  H      0.37923242     -4.18740216      1.83510819
  H     -0.96137494      2.78396425      0.68396045
  O     -1.89163838      2.52940641      0.69010015
  H     -1.21246582     -4.07491913      3.56083071
  H     -1.97356477      1.78960298      0.07468255
          69
 Energy    -249.98874622564409     
  O     15.53289406     11.40520364    -16.35631244
  H     15.73789094     11.06247402    -17.23516404
  H     17.58759835      8.40056218    -16.83632929
  O     13.66404223      5.57246878    -14.91232810
  H     16.37885593     11.61067378    -15.94124053
  H     15.70467473      8.13321005    -15.64826570
  O     18.40668022      8.51683628    -11.59616119
  H     13.02406642      4.87971197    -15.05222849
  H     16.70538811      8.84169286    -14.67670648
  O     16.91386191      6.08632486    -18.54324962
  H     14.49066455      5.28036023    -15.34007296
  H     14.08398512     10.89016591    -15.55692178
  O     14.66505155      9.38196417     -9.89763453
  H     17.95586376      7.66924692    -11.72666380
  H     12.57151641     11.14016985    -15.34189292
  O     14.29469984      6.77262107    -12.45319488
  H     18.17512246      8.79918300    -10.70278110
  H     15.63311403      6.33439020     -9.17078220
  O     16.88694930     10.04268766    -13.30158879
  H     17.47282842      5.59861886    -19.14367418
  H     16.90068577      7.18302181     -8.97179264
  O     17.96289454      5.90768896    -14.43759124
  H     17.41709166      6.87301721    -18.27495275
  H     13.67038473      7.24054638    -15.74488767
  O     13.80478883      6.66276643     -9.74093368
  H     14.45495035      9.57532580    -10.82003490
  H     13.55587282      8.81232987    -15.81648127
  O     19.72050993      9.88337331    -15.89571727
  H     14.26758350      8.52114969     -9.71494676
  H     19.48131913      7.13363824    -14.16627961
  O     15.97685394      4.87090260    -16.10984859
  H     14.04592719      6.33066691    -13.27344542
  H     19.63637469      8.18711007    -13.06221027
  O     18.01946215      8.48619949    -17.70267527
  H     14.26630593      7.72920743    -12.60289843
  H     16.95434199      6.00837724    -10.89055911
  O     16.62374478      8.16108834    -15.35626799
  H     17.50855990      9.59686617    -12.70898784
  H     16.06532632      6.33395355    -12.11281273
  O     13.27739152     10.53163352    -15.14152492
  H     17.34923803     10.73986287    -13.78183931
  H     16.34147089      9.28690361     -9.37130851
  O     16.59596456      6.27941173     -9.12187413
  H     17.49854430      6.69473842    -14.76575159
  H     17.43686737      9.66885236     -8.34827635
  O     13.94416732      8.03024836    -16.22771675
  H     17.70716511      5.81448698    -13.50897215
  H     16.13309772     10.70054639    -19.73971532
  O     19.95943301      7.93973216    -13.93700135
  H     13.01230865      6.18209098     -9.51647068
  H     15.59538601      9.47228062    -18.96496772
  O     16.97223954      6.12723249    -11.85087992
  H     13.90349649      6.60726552    -10.70648753
  H     13.80309549      9.92704930    -13.44264979
  O     17.25721111      9.10418194     -9.09518208
  H     19.35712294      9.40062368    -16.64650588
  H     15.22394355      9.76723551    -12.86516073
  O     16.15654244     10.26554414    -18.89161508
  H     19.90030391      9.22173330    -15.21023698
  H     18.70418053     11.16625626    -15.39566833
  O     14.29321581      9.53796648    -12.71013734
  H     16.23968462      5.21605081    -16.97093643
  H     18.54433660     12.65011293    -14.98370790
  O     18.06599652     11.83106064    -15.07591475
  H     16.72884601      5.03279009    -15.52298231
  H     14.36693907      7.94890017    -17.99975866
  O     14.75586494      7.94650342    -18.88655797
  H     17.52250331      9.16220643    -18.18066373
  H     15.38464686      7.21470929    -18.89463302
          69
 Energy    -249.98834876254642     
  O     -1.03075490      2.80966142      3.22411291
  H     -1.66031592      2.83942430      2.49229175
  H      1.44002315      1.89362525      1.24709703
  O     -2.81602684      5.93788322      0.43996848
  H     -0.69939977      3.71274236      3.31864917
  H     -1.45873821      3.82469824     -3.52585061
  O      2.81735726      6.73087720      0.49365627
  H     -2.46758160      6.49258819      1.14672614
  H     -0.67566083      3.15909551     -2.37051495
  O      0.63233836      8.49874562      0.59227756
  H     -2.19706402      6.03172772     -0.30201486
  H      0.14801078      9.29087603     -2.45618102
  O     -0.96472899      6.05093406     -1.54813690
  H      3.49794101      6.13765800      0.83182700
  H      0.43587052      8.55265252     -1.12435862
  O      3.58866320      3.27823273     -0.95713503
  H      2.94311307      6.80699519     -0.46641660
  H     -2.51278576      1.42535179     -1.92277929
  O      0.72893563      4.90570566      0.36150461
  H      1.42750365      7.96617676      0.73734278
  H     -3.39157815      2.11624475     -2.97881733
  O     -1.36047924      7.41814410      2.41005863
  H     -0.03441492      8.18663877      1.21338312
  H      3.32257392      4.24982782      2.77087827
  O     -1.01579206      2.06927184     -0.98329835
  H     -0.54957962      6.86375355     -1.86303298
  H      2.36909893      3.20327491      3.38685102
  O      0.24639298      5.31940277      3.03378752
  H     -0.83664306      5.35377466     -2.20290693
  H     -4.84770690      4.00530830     -1.11223918
  O     -2.67498753      3.19487143      0.97032923
  H      2.89884203      2.73314965     -0.55081737
  H     -4.08566859      5.32049433     -0.87096999
  O      1.38757647      2.21392993      0.33837972
  H      3.18607771      3.64827778     -1.74956753
  H     -3.81309670      4.13574251     -4.57022065
  O     -0.58891758      3.78396687     -3.10744013
  H      0.12093050      5.28683379     -0.28214301
  H     -3.72300140      4.28520191     -3.03447767
  O      0.35132653      8.43516232     -2.08959743
  H      1.49607516      5.49486767      0.39839901
  H      1.41075724      0.78477933      3.59732637
  O     -3.38711442      1.39633900     -2.33651928
  H     -0.79756426      6.70560484      2.76038371
  H      0.46985917      1.93559710      3.16512019
  O      2.67922486      4.11309955      3.47651035
  H     -1.65348855      7.92872117      3.16097514
  H      2.46794306      3.99836470     -4.13175386
  O     -4.52772059      4.80207598     -1.55431377
  H     -0.15153793      1.91537428     -0.57978226
  H      1.19568256      4.09596717     -3.26986427
  O     -3.29314988      3.88461971     -3.81141545
  H     -1.56376924      2.47899669     -0.29841012
  H      5.42853931      4.52766253      1.32876001
  O      1.36813716      1.57117226      3.06060419
  H      1.10741632      5.04723850      3.38130325
  H      4.22453613      4.12116374      0.44891365
  O      2.14333983      4.30109021     -3.28584266
  H      0.30430129      5.14481637      2.08110513
  H     -5.73734520      1.68459408     -0.13260684
  O      4.48026481      4.60034463      1.25694905
  H     -2.72179210      4.15362020      0.84844280
  H     -4.49778206      1.84795912     -1.04709144
  O     -5.00321780      2.26125015     -0.32413563
  H     -3.52350693      2.83467038      0.68423392
  H      2.54323180      6.04403563     -2.65017614
  O      2.75675359      6.88999763     -2.23781013
  H      1.15496600      3.15642631      0.38146354
  H      1.98055846      7.45358874     -2.34627945
          69
 Energy    -249.98775527949678     
  O     -4.80675931      0.11253831      0.22476465
  H     -5.46137887      0.79517537      0.09999380
  H     -0.76329910     -4.87235598      0.85109359
  O     -3.39842619     -2.18086160      6.86009294
  H     -4.88481079     -0.18043471      1.14889423
  H     -1.47723860     -0.94616616      0.82153728
  O     -2.42702465      0.05518503      3.67149754
  H     -2.55859418     -1.92489770      6.44486608
  H     -1.69703702     -0.94348953      2.35328483
  O     -4.84121871     -0.84715535      2.78491383
  H     -3.36328670     -1.86665102      7.76051064
  H     -1.80027782     -3.12370523      1.57986509
  O      1.26417432     -0.31691740      4.63733654
  H     -1.78474021      0.75958350      3.48935108
  H     -3.06554510     -4.00611956      1.69666700
  O     -3.25763713     -4.78407961      5.67915134
  H     -2.05633538     -0.49645074      4.37227476
  H      0.44505686     -1.57557767      2.04046585
  O     -1.09367804     -1.65241819      5.43910999
  H     -5.28768515     -1.17547857      3.57859964
  H      1.83307233     -1.33952562      1.42394200
  O     -5.55110476     -4.82828043      4.23403526
  H     -4.01023167     -0.45368739      3.09166774
  H     -5.14294384     -4.05656242      2.59779189
  O     -2.07851509      0.06929323     -0.60198527
  H      1.41107642     -0.78365235      3.79643751
  H     -4.78384418     -2.61172659      2.17217961
  O      1.44773965     -4.36992427      2.86511073
  H      2.12195615     -0.19286629      5.03590442
  H      2.81374378     -0.80949891     -0.94798124
  O      0.40569254     -2.84530660     -1.15258911
  H     -3.33083154     -3.98673389      6.21833705
  H      1.48783873     -1.56363202     -0.69033360
  O      0.06698457     -5.18092654      0.44815797
  H     -2.40234600     -4.71958409      5.23429418
  H     -0.05098469      1.59183571      2.18916238
  O     -1.31216011     -1.45112049      1.62704621
  H     -1.00886204     -2.51783685      5.01059346
  H      0.33787023      1.16394401      3.62946562
  O     -2.10260493     -4.04346998      1.65496772
  H     -0.25963024     -1.18455740      5.30777753
  H      0.94031291      0.65651651      0.11702588
  O      1.39343068     -1.61098946      2.23860970
  H     -6.09123486     -5.57221504      4.48607575
  H     -0.53683939      1.04482019     -0.04074208
  O     -4.80237775     -3.52926304      1.86435637
  H     -4.72054058     -4.89971167      4.73805163
  H     -2.40597091     -2.40955396     -3.07839280
  O      2.06984006     -0.85787186     -0.35410142
  H     -2.07925141     -0.63810143     -1.25960620
  H     -3.02512274     -2.49472743     -1.66609543
  O     -0.31562386      1.65352264      3.11948636
  H     -2.99729100      0.20204472     -0.33468346
  H     -5.79168372     -3.00437657      4.86111011
  O      0.28152912      1.29863060      0.40515728
  H      1.56904056     -3.43019370      2.67248861
  H     -4.96592574     -2.03284392      5.72247578
  O     -2.20585649     -2.29458851     -2.15261693
  H      1.13526276     -4.75661384      2.03826983
  H     -1.45793414     -4.13452873      3.37226327
  O     -5.68969042     -2.07137417      5.08513681
  H      0.36905131     -3.66982095     -0.65262138
  H     -0.04040200     -4.30890032      3.92829131
  O     -0.95271992     -4.13242467      4.19687952
  H     -0.47846222     -2.70675819     -1.51286599
  H     -4.74428256     -1.63727821     -0.55083048
  O     -4.53023669     -2.55174481     -0.77567868
  H     -0.08367608     -6.07909032      0.16390165
  H     -4.70007927     -3.05644686      0.02937841
          69
 Energy    -249.98751228019472     
  O     11.34166878      9.61738446    -10.27515334
  H     12.02722631     10.21349062    -10.59825967
  H     17.95881476      7.01524071    -14.81549490
  O     13.29329271      8.19687882    -14.81630028
  H     10.68006826      9.56261864    -10.97678491
  H     14.45392181     12.43953552    -14.22139275
  O     17.91052127      9.12061064    -10.63694061
  H     14.14672970      8.43384215    -14.42071446
  H     15.06777516     13.62429077    -13.43868367
  O     16.75670384      9.19690475    -16.76645932
  H     13.06912257      7.33705367    -14.44059996
  H     16.23631935      7.95270594    -14.13570553
  O     11.71769766     10.25113336    -13.86164114
  H     16.94473994      9.14185389    -10.62761820
  H     16.14256078      9.48767392    -13.98334747
  O     16.32476628      5.17047581    -11.76756007
  H     18.15816923      8.18812481    -10.68825379
  H     11.23758297      6.83109757     -8.74035149
  O     13.07867276      5.81568514    -13.42849851
  H     15.83508642      9.34452193    -17.01074854
  H     11.53950186      7.94957957     -9.76682277
  O     15.13653506      9.01514530    -11.08584220
  H     16.96933208      9.89629755    -16.13487941
  H     19.09769206      7.09589434    -12.80692831
  O     13.92876980      9.56553928    -17.12701423
  H     12.20710884      9.48389229    -14.19481253
  H     19.25958363      8.47065212    -13.47512981
  O     15.51416458      4.82757794    -14.51406779
  H     10.89670399      9.91656228    -13.48212278
  H     11.32012952      6.17454891    -12.76184447
  O     17.03911546     10.95300422    -14.50845441
  H     15.52973350      5.53623748    -11.35659057
  H     10.86214197      6.54348539    -11.33525127
  O     17.14178377      6.86441844    -15.31667313
  H     16.08849233      4.96640889    -12.67906192
  H     19.89986769     10.73621725    -12.47315166
  O     15.03668541     12.67134766    -13.47447529
  H     13.81571956      5.37399232    -13.86809328
  H     18.67619512      9.93887099    -11.96144554
  O     15.74133270      8.65554770    -13.69758868
  H     13.40609606      6.07062199    -12.55215161
  H     19.14985703      5.82218867    -10.57380669
  O     11.58728527      6.98878585     -9.61298357
  H     14.51083696      9.74633630    -11.15335686
  H     17.80717199      5.93869441    -11.33041073
  O     19.20934714      7.52699541    -13.66427311
  H     15.41137063      8.82799499    -11.99895009
  H     12.65273654     11.42423646    -14.95908845
  O     10.58198643      6.54118597    -12.25988712
  H     13.64289229      8.99287170    -16.39586369
  H     13.63278537     11.21324665    -16.12608345
  O     19.10309630     10.29823820    -12.76039729
  H     13.41095440      9.31581570    -17.88887250
  H     14.42154041      7.39279235    -10.88320283
  O     18.62939301      6.41258135    -11.11188477
  H     16.09175228      5.52368958    -14.87265394
  H     13.23600954      6.55671186    -10.34330015
  O     13.37519997     11.84584510    -15.44594548
  H     15.70093617      4.03660625    -15.01392606
  H     13.96795602     11.69044791    -12.14899212
  O     14.02855834      6.50702899    -10.89016101
  H     16.46317773     11.62568944    -14.12417090
  H     12.76898436     10.78269773    -12.46119429
  O     13.35109237     11.07137256    -11.74232930
  H     17.79903414     10.83550560    -13.92038381
  H      9.89909051      8.13160892    -12.48054187
  O      9.60025399      9.05881497    -12.49738228
  H     17.04838113      7.59057708    -15.95107257
  H      8.64907980      9.04224365    -12.55632659
          69
 Energy    -249.98688534021048     
  O      9.87170604     12.71204658    -11.98938402
  H      8.94130763     12.91667056    -12.06295950
  H     10.16382896     11.32227546    -10.60467484
  O     13.98335348      9.16460492    -17.62906783
  H     10.17150310     12.49386917    -12.88600641
  H     13.46784764     13.74107441    -13.40114657
  O     11.35930255      8.85798112    -11.94663587
  H     14.24218007     10.09428709    -17.67119377
  H     12.49988006     12.70928863    -14.08597897
  O     14.39152484      9.04814223    -14.90485997
  H     13.01948420      9.16052304    -17.68327954
  H     16.40137381     10.39575878    -11.43884735
  O     13.41813623     12.56780438     -9.59224632
  H     11.81999704      8.11492978    -11.53773951
  H     14.88839672     10.14761960    -11.36410557
  O     14.65310208     11.93939981    -17.28367538
  H     10.85746866      9.32511679    -11.26193814
  H     14.75453926      7.93492562    -13.45703389
  O     11.64754524      9.36263012    -14.58547974
  H     14.34376591      8.92103443    -15.86360466
  H     15.38641876      8.22549932    -12.08301780
  O     14.00457744      8.79879343     -9.05844389
  H     14.87887994      9.86889267    -14.75906873
  H     12.95825911     15.10928456    -11.86283080
  O     13.33405286     10.89850435    -11.78306142
  H     13.07436936     12.04260784     -8.86097813
  H     13.64421803     16.23512519    -12.67873057
  O     12.23778323     10.58793671     -8.02274937
  H     13.36984185     11.98107204    -10.36380405
  H     13.69139173      7.00536943    -11.53092937
  O     15.58031650     13.68579213    -11.03454846
  H     15.08839952     11.83852832    -16.42218669
  H     12.91003910      5.89856092    -10.77913104
  O     10.22827091     10.50068202    -10.10414376
  H     15.23501350     12.47408255    -17.81919621
  H     16.63819816     12.57562711    -11.86772984
  O     13.40107223     12.85174393    -13.77087369
  H     12.60790707      9.26730896    -14.66600095
  H     18.09010426     12.16903029    -12.20914094
  O     15.74682978      9.77515512    -11.10329021
  H     11.41369810      9.06906392    -13.69350177
  H     11.07230731     11.09324454    -14.45233665
  O     14.93267396      7.54073777    -12.59339472
  H     14.74618437      9.12939677     -9.58077979
  H     11.02839967     12.27745246    -15.42976230
  O     13.68527835     15.30353936    -12.48363397
  H     13.63557358      8.06574285     -9.56640435
  H     14.83224875     12.08156580    -14.38773815
  O     12.98331918      6.84337047    -10.87941923
  H     13.30952187     11.53228715    -12.51047848
  H     16.26281406     11.65596577    -13.98468277
  O     17.17939183     11.92092241    -12.34542678
  H     12.64358605     10.23640979    -11.90433563
  H     12.71518347     12.21980326    -17.16111527
  O     10.86290699     12.03740234    -14.50543505
  H     12.08643685     10.38508797     -7.10371352
  H     11.49025096     11.30548175    -17.32434683
  O     15.61114989     11.58701271    -14.69168572
  H     12.87064319      9.92532768     -8.35457451
  H     12.29128458     13.86589571    -10.24994866
  O     11.75356543     12.20450376    -17.08712812
  H     14.96777751     13.32932977    -10.37746273
  H     11.07000585     13.92575738    -11.19404512
  O     11.76925943     14.46407747    -10.80396395
  H     15.07264030     14.33863213    -11.53006316
  H     10.39977846      8.87998025    -17.56503891
  O     11.14470268      9.41060793    -17.29470732
  H     10.85246809     10.64258609     -9.38175298
  H     11.22351590      9.31153063    -16.33058778
          69
 Energy    -249.98669814514864     
  O     13.97424113      5.68958518     -9.49376956
  H     14.76919408      5.36464373     -9.93587780
  H     15.71885337      8.93232827    -12.61856985
  O     15.52511454      7.72547988    -16.91974104
  H     13.21499585      5.35771583     -9.98874289
  H     14.61645945      6.87521027    -13.04963960
  O     18.14788320      9.00966308    -14.21940268
  H     14.64020605      7.84665279    -16.54926239
  H     13.82542461      8.03045117    -12.31246423
  O     14.13039486     11.38946107    -12.29994109
  H     15.93658490      8.59648804    -16.87225346
  H     12.04236470      4.65201833    -11.90917660
  O     11.01921237      6.74194205    -14.65585366
  H     17.58329867      9.29713523    -13.48613279
  H     11.16889935      4.12511435    -10.74603152
  O     19.02415151      4.43252058    -11.25582354
  H     18.99494711      8.73957051    -13.84417207
  H     20.14762180      7.74560772    -12.10128603
  O     12.54866045      4.53891284    -13.55807430
  H     13.92796182     12.31227320    -12.17342692
  H     21.35032032      8.22384871    -12.94970402
  O     16.86721163      7.99039327    -10.10459725
  H     14.12987123     11.23395476    -13.26283973
  H     15.90809255      5.56314588    -13.99643959
  O     19.36075692      5.39417849    -13.76749229
  H     10.93754572      7.03241198    -13.72953882
  H     15.67480946      5.13491285    -12.51353684
  O     14.25505489     10.86218787    -14.95512632
  H     10.13221004      6.61424538    -14.98182454
  H     17.32916005      9.85565994    -15.57446158
  O     13.19881285      8.31937693    -15.44184284
  H     19.50429501      3.61835925    -11.13378036
  H     17.32868233     10.78233886    -16.80948535
  O     16.32068770      9.61540520    -12.27560282
  H     19.13974610      4.69224408    -12.18807456
  H     16.55255064      6.74307373    -15.79393785
  O     14.43598269      7.82315509    -13.03086500
  H     13.50312851      4.68515520    -13.61935830
  H     17.45248259      7.31654879    -14.69261945
  O     11.75390430      4.83531071    -10.99653783
  H     12.11837752      5.22125393    -14.08634113
  H     19.43005240      6.21986218    -10.65068552
  O     20.43503430      7.96329453    -13.00643603
  H     16.75449246      8.61273186    -10.83717527
  H     18.67728345      7.51555639    -10.27585857
  O     15.24972269      5.21436973    -13.37882287
  H     16.10984061      8.12604007     -9.52282660
  H     11.50114416      8.06490960    -11.62001200
  O     16.75823922     10.26721699    -16.24402394
  H     19.83489543      6.22464103    -13.63876763
  H     11.14529953      6.56220711    -11.54811913
  O     17.09558480      6.48653967    -15.03418531
  H     18.59745009      5.60825839    -14.32009047
  H     16.57531346      6.24031467    -10.64504333
  O     19.53149647      7.17689801    -10.57429570
  H     13.74171274     10.08677434    -15.22086788
  H     17.26867028      4.88365838    -10.92371800
  O     10.93797634      7.38425782    -12.01020395
  H     15.10589471     10.77166143    -15.40044688
  H     14.18444934      8.36661877     -7.84286033
  O     16.40603237      5.31271696    -10.86326016
  H     12.37796125      7.82413194    -15.34238762
  H     14.18193321      7.29821427     -8.96562141
  O     14.37698456      8.23417944     -8.76708838
  H     13.68829380      8.16741476    -14.61795866
  H     13.41398070      8.91627447    -10.22494604
  O     12.93900371      9.10269396    -11.04495675
  H     15.77062166     10.39991395    -12.17698582
  H     13.27868880      9.93248015    -11.40416195
          69
 Energy    -249.98645874042177     
  O     12.33118217     10.10553360    -15.98664616
  H     12.92213913     10.86485768    -16.01539293
  H     16.06223774      5.63673877    -13.99799466
  O     15.69904155      6.67071055    -12.47066345
  H     12.86024286      9.34951465    -16.28324041
  H     19.13842933      8.49755387    -12.95903895
  O     16.15716084     11.04404972    -11.05729069
  H     14.81351768      6.72154702    -12.08536720
  H     20.38330192      8.33868081    -12.05474134
  O     18.44656542     11.12679194    -15.03850458
  H     16.26658235      7.19567250    -11.89077628
  H     17.17834718     11.63868278    -17.81968807
  O     13.38003872      5.40075203    -15.68408178
  H     15.70038919     11.16477074    -11.90254300
  H     17.34378737     11.25094573    -16.33209096
  O     13.98381814     10.44567765     -9.44754008
  H     15.46516929     11.00152278    -10.38268390
  H     15.04737398      8.43897981    -15.13142757
  O     13.29210988      7.21244561    -11.19745618
  H     18.58037109     10.17219018    -14.97693497
  H     15.54185266      7.94915167    -13.73586344
  O     14.71536712     11.05098930    -13.40448303
  H     18.50384591     11.44170114    -14.12622488
  H      9.94018327      9.33112098    -14.09769131
  O     17.97529529      6.43797914    -16.49923553
  H     12.83986583      4.70938656    -16.05713143
  H     11.35551544      9.52251325    -14.69541502
  O     14.98455501      7.75059817     -8.98359285
  H     12.88135473      5.77090231    -14.93282520
  H     16.71919086      9.33693795    -10.86647695
  O     18.34972183      8.37246193    -14.54920894
  H     13.37700901     10.30668970    -10.18725119
  H     17.94841311      8.41614619    -11.04307071
  O     16.10837000      5.29653870    -14.90125191
  H     14.21537252      9.56529777     -9.12982111
  H     11.57513080      7.38147552    -13.79446473
  O     19.48001263      8.64435832    -12.06024171
  H     13.73302272      7.25798213    -10.34072536
  H     12.38012504      6.60153416    -12.73917253
  O     16.72653457     11.22683552    -17.08667243
  H     13.08708915      8.12841482    -11.44140212
  H     17.85364281     11.47161680    -11.76902943
  O     15.59807032      8.67363461    -14.37368124
  H     15.06866071     10.21152116    -13.74073362
  H     19.07737148     10.60855078    -12.10280822
  O     10.86158418      9.13778102    -13.94833263
  H     14.55561739     11.59730616    -14.18019082
  H     16.57321857      9.31384979    -17.56041202
  O     17.03364788      8.42900101    -10.73628066
  H     18.45391107      5.75545712    -16.96136961
  H     16.99849578      7.82079440    -17.43414726
  O     12.03434117      6.54683498    -13.63855098
  H     17.30727558      5.98924274    -15.94862796
  H     11.94798223      9.66302802    -12.52768059
  O     18.67310660     11.46480860    -12.28107959
  H     15.28369553      7.35483065     -8.16874625
  H     13.34957788     10.30427958    -12.43501783
  O     16.36506425      8.41800799    -17.85086785
  H     15.77892720      7.93585367     -9.51132405
  H     15.15361477     11.82885036    -16.39639413
  O     12.67948120      9.83209511    -11.92099483
  H     17.40248199      8.56564347    -14.47356912
  H     14.26060993     13.07981425    -16.25347222
  O     14.34782199     12.17054268    -15.97695954
  H     18.42045960      7.68438851    -15.22135791
  H     13.79570248      7.06654634    -16.42055297
  O     13.99755247      7.99596993    -16.57852211
  H     15.19302247      5.22881932    -15.19998406
  H     14.76527503      8.05949620    -17.16662368
          69
 Energy    -249.98641102443514     
  O     12.54901490      9.82678479    -15.22179039
  H     13.32447292      9.30136395    -14.96423350
  H     16.99273629     10.71756025    -15.87959729
  O     16.08302661      6.57483621    -13.12826236
  H     12.87603694     10.72828196    -15.32767811
  H     15.39526127      8.02069179    -14.10410793
  O     17.48559189     10.75316353    -12.13841649
  H     16.87904852      7.04059236    -12.83801719
  H     15.54820209      9.24532298    -15.07999388
  O     13.35098584      5.95002824    -15.85418577
  H     15.41872171      6.66365391    -12.43085686
  H     11.52183020      9.38762941    -13.83489694
  O     14.87655945      9.72269281     -8.89069571
  H     16.56783933     10.96322262    -12.36121764
  H     10.16811281      9.22403730    -13.10563978
  O     14.18031106      7.00497057    -11.18870678
  H     17.55137049     10.83181751    -11.17832775
  H     17.92234956      8.83301673     -9.43978935
  O     14.82584639     11.09770033    -12.86769240
  H     14.21159432      5.53767627    -15.72619070
  H     18.19565643      7.81158310    -10.55699694
  O     15.57830160      6.94079225     -8.76356571
  H     12.96805026      6.06765971    -14.97294924
  H     12.91928967      6.46457349    -12.52581042
  O     17.51219904      7.11105810    -16.46930909
  H     14.18900739      9.77356350     -9.56690337
  H     11.80156573      7.26010830    -13.20389682
  O     16.02099684      4.99941470    -15.32522520
  H     15.00939912      8.78246215     -8.71668202
  H     18.21859736     10.86900050    -13.91004230
  O     19.49603052      8.08944980    -14.92999601
  H     14.59596994      6.85751234    -10.33027181
  H     18.89455489      9.88984100    -14.89510379
  O     16.11730190     10.64440566    -16.29067891
  H     13.86320553      7.91886567    -11.18843223
  H     18.81073759      8.02360565    -13.21248858
  O     15.00320102      8.85270246    -14.38672856
  H     14.54163926     11.71243984    -13.55274019
  H     17.97868987      9.00124897    -12.33983154
  O     11.10683551      9.08438574    -13.00947217
  H     14.90108345     10.23881023    -13.31846358
  H     16.46031639     10.41675361     -9.16188056
  O     17.97323676      7.88579441     -9.61969638
  H     16.47174521      7.19696005     -9.05589333
  H     17.62351217     11.29420781     -8.64140580
  O     12.33157814      6.46018772    -13.29100005
  H     15.68774519      6.33527591     -8.03574617
  H     15.93848186      8.60815756    -19.17720259
  O     18.41884885     10.72820167    -14.84413910
  H     16.97422596      7.57621534    -17.12052808
  H     14.96801030      8.45658965    -17.98069093
  O     18.27655082      8.08236175    -12.41044469
  H     17.00581824      6.33902130    -16.18750551
  H     13.72503676     10.25819258    -11.68397322
  O     17.38328593     10.67982694     -9.32973525
  H     16.04763207      5.47852388    -14.47745189
  H     12.38082662      9.49320946    -11.67348077
  O     15.89437138      8.64039918    -18.22576188
  H     16.20726139      4.08441788    -15.13135722
  H     14.07485494     13.06936709    -15.81922193
  O     13.18613280      9.64528926    -11.16350633
  H     18.80112918      7.72093695    -15.50578283
  H     14.82642282     11.71863484    -15.76288222
  O     14.08749968     12.22442217    -15.37823767
  H     20.33172975      7.79895292    -15.28454288
  H     13.33013158      7.33598039    -16.94582956
  O     13.37080603      8.17286921    -17.43775020
  H     16.16210929     10.05186028    -17.05042344
  H     12.89783967      8.81106805    -16.89561191
          69
 Energy    -249.98623092142890     
  O      2.44436318     -0.51816478      5.44351443
  H      2.31374744     -0.86325717      4.55002536
  H     -1.40658019     -1.01503468      3.51812170
  O      1.66785103      3.35480148      7.62745049
  H      2.30510237      0.43784062      5.38822500
  H     -1.22035064      1.52642430      0.92642196
  O     -2.14053543     -4.04950936      5.42313302
  H      1.64098272      2.65835537      8.30697274
  H     -0.89286274      0.40869484      1.94140440
  O     -2.48526915     -1.72836238      9.02465773
  H      2.12412980      4.09712918      8.01485388
  H     -1.03529864      2.00789004      3.52759352
  O      2.42739896     -4.66099209      6.15167928
  H     -2.79171130     -3.44613622      5.79857828
  H     -1.49297154      1.21708917      4.76850247
  O      1.81952336     -1.25953147      2.83888532
  H     -1.42256404     -4.09650945      6.06963762
  H     -1.24287100      2.89842021      6.19286113
  O      1.60548450     -3.91497390      3.69357476
  H     -2.15829057     -0.81672583      9.00471234
  H     -0.26094317      3.32847521      7.30009633
  O      3.62034966     -2.30654009      7.30027795
  H     -1.78069936     -2.25652766      9.41326449
  H      2.09527653      1.81647807      3.23295888
  O      1.34850900      1.37088931      9.46569920
  H      2.17538472     -4.41010382      5.24398041
  H      1.16224651      1.55533343      2.03638531
  O      1.81193262     -1.42484808      9.14396036
  H      2.89528070     -5.48932439      6.08702743
  H      0.06870002     -2.07570362      6.88553839
  O     -0.12444896     -3.19832805      9.95046656
  H      2.07999352     -0.37212017      2.55168356
  H      0.97008755     -0.92298514      6.30512267
  O     -1.01508490     -1.25933273      2.66653370
  H      0.85478704     -1.27865005      2.78153998
  H     -1.54523996     -4.75717276      2.41633639
  O     -0.76831665      1.35262391      1.74850656
  H      0.69590723     -4.06212650      3.40905257
  H     -1.55352919     -4.07364765      3.80621663
  O     -1.07020339      2.04260948      4.49064236
  H      1.86134629     -3.06093258      3.32111161
  H     -1.35491867      1.53912775      8.08116236
  O     -1.17734761      3.07104948      7.14061959
  H      3.32862575     -3.14663421      6.92669301
  H     -0.76181121      0.12299534      7.87154147
  O      2.07038599      1.44231417      2.34274856
  H      3.40098881     -1.63946299      6.63494427
  H     -3.34659391     -1.97439712      7.52782056
  O      0.15776656     -1.11615500      6.79656542
  H      1.74860403      0.49897086      9.55221512
  H     -4.71282820     -2.02885588      6.80773982
  O     -1.15638578     -4.04460288      2.91623684
  H      0.40392734      1.20295862      9.34005177
  H      0.84095756     -4.21052495      6.94557537
  O     -1.21369829      0.68493431      8.51586066
  H      1.20829540     -1.15810386      8.43871619
  H     -0.05049382     -3.82950738      8.18103853
  O     -3.77201371     -2.05258536      6.65502946
  H      2.58539365     -1.77175730      8.67358320
  H      0.73452463      2.09414741      4.92499966
  O     -0.01890583     -3.86110666      7.21692581
  H      0.61503582     -2.57963340      9.82477901
  H      1.78771220      2.60568075      5.93850230
  O      1.68338745      2.11607204      5.11293472
  H     -0.01868188     -3.58108836     10.81767753
  H     -2.72060219     -0.93098337      5.58663031
  O     -1.97279470     -0.50100569      5.15556876
  H     -1.11391642     -2.21688919      2.59244574
  H     -1.19657348     -0.73031575      5.68701277
          69
 Energy    -249.98615088231543     
  O     12.60075651     13.06881529    -13.18169487
  H     13.24271486     13.24803111    -12.48414312
  H     17.53937477     10.92453995    -16.78079674
  O     19.90153984      7.90523202    -12.57915059
  H     12.16091015     12.24671237    -12.92709864
  H     13.17194421      8.68391540    -14.33455617
  O     17.77189702     11.25153906    -12.25138151
  H     19.68978891      8.57162147    -13.25369894
  H     12.04512713      9.66777920    -13.96425853
  O     13.00859834      9.71671930    -10.32504614
  H     20.84724519      7.78114987    -12.60598241
  H     14.98786995      9.92883367    -13.26551094
  O     15.98770568      7.08002752    -11.38223932
  H     17.81336592     12.20969589    -12.16560737
  H     14.97237825     11.33485033    -13.95064216
  O     14.32688109      7.45401860     -9.14929733
  H     16.88902810     11.05772842    -12.60848995
  H     12.82829965     10.36423282    -17.61357974
  O     17.81066888      6.03842052    -13.32239389
  H     13.51600012     10.38527460     -9.84979817
  H     13.02777648      9.95566131    -16.13411280
  O     14.34471860     12.50687731    -15.23484669
  H     13.33220796      8.86871961    -10.00100895
  H     16.94160843      9.21812910     -9.18113722
  O     17.05040510      7.93953482    -15.17281888
  H     15.37678215      7.03958548    -10.63693137
  H     15.81503679     10.16103485     -8.68131236
  O     17.99811440      8.96185820    -10.73006252
  H     16.65090851      7.74711629    -11.15502857
  H     18.90669841     10.41124888    -15.10995473
  O     16.23151562      9.83627242    -17.07464661
  H     14.08062936      6.90689713     -8.40862451
  H     18.61446494     10.40311190    -13.59286782
  O     18.31117532     11.46473030    -16.52888093
  H     15.00828944      8.07420174     -8.82975128
  H     17.46146943     12.84690737    -15.51155170
  O     12.43981671      9.19616580    -14.70710997
  H     18.60023821      6.51047201    -13.03098066
  H     16.00897574     13.23089249    -15.16053641
  O     15.25150475     10.85060532    -13.16245781
  H     17.15047308      6.18719829    -12.63235802
  H     17.18946269     13.88636930    -13.34643841
  O     13.43803904     10.42489731    -16.88338767
  H     13.97151968     11.89872737    -15.88378843
  H     17.76913879     14.86039701    -12.29179502
  O     16.22121407      9.29603494     -8.54205753
  H     13.63855212     12.78299521    -14.63069924
  H     14.89310766     12.15330366    -11.96892478
  O     18.97583396      9.86785419    -14.31507514
  H     17.68253398      8.61357867    -14.89063725
  H     15.64925675     13.46402334    -11.66474798
  O     16.93384863     13.46314020    -14.99170992
  H     17.29157517      7.13710466    -14.68726702
  H     10.56836635     10.47566605    -12.11951878
  O     17.30594698     14.03349787    -12.38856003
  H     17.91537602      9.82619954    -11.15911817
  H     12.02595214     10.23362598    -11.67279339
  O     14.87048427     12.95106690    -11.41575663
  H     18.73383272      8.52329707    -11.17324152
  H     14.37365067     12.24519087     -8.33957111
  O     11.47503725     10.56556220    -12.40319023
  H     15.28010635      9.98856501    -17.04933795
  H     14.77785749     12.18864054     -9.82905684
  O     14.68187557     11.65471612     -9.02294317
  H     16.40781175      9.04443435    -16.54882619
  H     15.48938722      8.07849014    -14.24882637
  O     14.76080939      8.16407334    -13.61814637
  H     18.77246199     11.67428226    -17.33675572
  H     15.05816545      7.73499763    -12.80559373
          69
 Energy    -249.98595642484943     
  O     -5.78586993      1.62208758      0.73991157
  H     -5.15198024      2.27529549      0.41585754
  H     -1.38895611      3.28617493      3.22279034
  O     -5.94227215      1.49265115     -4.01179765
  H     -6.40404235      1.45620200      0.01309062
  H     -0.72039230      5.06545288     -0.49690623
  O     -5.17680482      1.46353913      3.50036234
  H     -6.36816973      1.62006621     -4.85513294
  H      0.48358634      5.66612537     -1.26283931
  O     -0.29207293     -1.72092391      1.59463305
  H     -5.60939117      0.57624538     -3.99874650
  H     -3.11980523      2.63883217      0.07201481
  O     -2.44937290     -1.17497058     -0.10366771
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  H     -3.76827471      3.04746101     -1.25669972
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  O     -5.01236113     -1.03364592      0.91422355
  H      0.28063388     -2.47369924      1.71687561
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  H      0.52682730      3.43763213      0.08559821
  O     -3.47268469      2.26480760     -2.89906176
  H     -3.32103654     -1.21303906      0.31406217
  H      0.25810613      3.16279530      1.58100598
  O      0.35361617      0.43102089     -2.76158461
  H     -1.79195156     -1.54478861      0.49779870
  H     -6.84994702     -2.64546903     -1.20398681
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  H     -5.86138798     -1.66592192     -0.53504139
  O     -0.77218000      3.98997680      2.95684904
  H     -5.35942785     -1.40261407     -2.94212826
  H     -3.42935767      1.87239491      3.49309231
  O      0.04165453      4.84548740     -1.06278603
  H     -5.23869381     -0.09246219      0.85802697
  H     -2.34172698      1.70437846      2.39606546
  O     -3.76908192      3.24982521     -0.31164122
  H     -4.99093829     -1.26787155      1.85070196
  H     -3.76040013     -1.28710176      3.70283875
  O      0.96483047      0.09092084      0.01210564
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  H     -4.97059278     -1.98094385      4.37379885
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  H     -2.43627873     -0.71000707     -1.80399509
  H     -2.03838805      0.57089286      0.34750783
  O     -6.32066573     -1.86834121     -1.36640434
  H     -3.12317997      1.36895227     -2.78402305
  H     -1.04964810      1.76988758      0.55903337
  O     -2.47451857      1.90754101      3.33542040
  H     -4.32151421      2.16372743     -3.34610499
  H     -2.75114345      4.66803930      0.34739903
  O     -4.72435051     -1.41788914      3.64536312
  H      0.97738370      0.29487628     -3.47018410
  H     -1.71977964      4.88398652      1.48845337
  O     -1.95962896      1.47278271      0.67841882
  H      0.03089045      1.34742238     -2.84580548
  H     -6.86672463      1.21513115     -2.33430147
  O     -2.01891850      5.22926159      0.63918521
  H     -2.07263190      0.09585064      3.69313051
  H     -7.06648250     -0.06724732     -1.51393480
  O     -7.21367034      0.88596785     -1.49630299
  H     -1.40808157     -1.14029237      3.03733895
  H     -1.67944115      2.85465263     -3.01195657
  O     -0.71574962      2.89360355     -2.95944500
  H     -0.51358614      4.44309110      3.75517934
  H     -0.49175577      3.61886149     -2.36435680
          69
 Energy    -249.98534420966746     
  O     17.30190142     12.60739610    -16.19334784
  H     17.57048100     13.32539499    -16.76036117
  H     17.29165314      6.99467509    -17.52203330
  O     14.82625585      7.33553262    -13.42427925
  H     16.34131370     12.70231788    -16.06217841
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  H     16.10449997      9.70893377    -15.26079013
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  H     11.95262322      9.74587072    -13.77761550
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  H     18.06131023     12.33680308    -14.45814614
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  H     18.91257667      9.05748865    -11.68091478
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  H     13.63810420      9.80109351    -17.41084877
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  H     12.59495357     10.00796570    -16.28225540
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  H     14.13657670      8.44513363    -19.58152273
  H     19.58130265      8.85555954    -14.21865744
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  H     17.57486044      5.84654600    -13.70283920
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  H     10.40809284      8.87616503    -15.52580410
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  H     11.74079807      8.14481029    -15.79691574
  H     20.83313209     10.46232283    -12.57415204
  O     18.28587853      8.50952956    -11.19674306
  H     12.71538442     13.39034301    -12.88953655
  H     19.44054104     10.82283173    -13.14551454
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  H     12.89914690     11.89029253    -13.21902720
  H     18.15079763      9.42717824    -15.84702747
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  H     14.30146571      8.82062756    -10.93521951
  H     17.55095249     10.78481460    -16.39315245
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  H     14.96045847     12.10499860    -12.73159678
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  H     15.46742143      6.47628497    -16.33108133
  H     15.58658902     10.84502207    -13.34838764
  O     17.48030725      9.82285495    -16.42264331
  H     14.86378384      6.31447413    -14.90752883
  H     14.13360386     12.05556195    -16.29708916
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  H     18.00943092      5.03705676    -15.73943888
  H     14.17591451     12.90408499    -15.01870799
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  H     16.53838127      4.83469020    -15.33632408
  H     13.25331603      6.39467084    -16.37443348
  O     12.54263526      6.92425675    -16.75935611
  H     16.78416815      8.41222412    -17.23916945
  H     12.94444377      7.36561118    -17.51700931
          69
 Energy    -249.98484126558517     
  O      1.74452107      0.62597424      3.72639491
  H      2.49845160      0.98483384      4.18619662
  H     -3.97098072     -1.23983117      4.98740761
  O     -1.05272775     -1.17293710     -3.18329392
  H      1.16084064      0.23287007      4.40160039
  H     -2.37430840      1.53442124      7.14960864
  O      0.00493065     -0.40823065      5.48726679
  H     -0.88439870     -2.08629674     -2.92326363
  H     -2.84194786      0.72224918      5.91754197
  O     -2.35559307     -0.28375065     -0.87125702
  H     -1.66508643     -0.82426930     -2.51942230
  H     -3.51958070      0.49911402      1.49574479
  O     -0.33126438     -3.67762531     -1.91171091
  H     -0.70825545      0.16058519      5.80326949
  H     -4.41948106      1.72266036      1.25843739
  O      1.75590684     -2.14001333     -1.08509416
  H     -0.35476472     -1.29739759      5.39142619
  H     -2.89896801     -0.11029433      3.56326593
  O     -4.81794920      3.02980606      2.55987607
  H     -1.53611037      0.11862067     -0.55129242
  H     -1.74829571      0.65122200      2.80622076
  O     -3.74110680     -2.94783587      4.55648940
  H     -3.08000044      0.19675644     -0.44858354
  H     -1.71114572     -3.34650686     -0.71447909
  O     -0.42809973      1.94899816      2.47492715
  H     -0.00606058     -4.46860202     -2.33318777
  H     -2.41432928     -2.01718877     -0.35032363
  O      1.18188750      0.25523451     -2.57992712
  H      0.44875778     -3.18954698     -1.59162051
  H      0.65707668     -1.58882762      1.78533433
  O     -6.11396209      0.78174792      3.85431257
  H      1.73056227     -1.33426847     -1.61590299
  H      1.69472560     -0.53814239      2.25841597
  O     -3.93789671     -0.27612750      5.06856628
  H      1.80361717     -1.85012133     -0.16467199
  H     -1.72088422      2.87434606      3.44557465
  O     -2.13420255      1.30157991      6.25632285
  H     -5.15719859      3.91839702      2.49257625
  H     -2.36169342      2.57657614      4.81455284
  O     -4.11405961      0.90618591      0.84569785
  H     -4.00590750      3.08204118      3.09380315
  H      0.50469884      0.83189081     -0.91836361
  O     -2.36401384     -0.09144338      2.75857973
  H     -2.80303399     -3.11307236      4.70933980
  H      0.56294012      0.16447714      0.47304698
  O     -2.32662692     -2.94634052     -0.08766208
  H     -3.91297965     -3.14420386      3.62723355
  H     -0.82420712     -2.90956932      3.87998492
  O      1.43220823     -1.07977032      1.50422211
  H      0.35700359      1.61587943      2.92801442
  H     -0.35154159     -3.84397423      5.01958365
  O     -2.49065059      3.07060995      3.99660126
  H     -0.30076463      1.76471898      1.53465556
  H     -1.32188847     -2.69081280      1.42364717
  O      0.09115977      0.83216898     -0.04617019
  H      0.39233035     -0.21256611     -2.90710422
  H     -1.44257206     -1.52990978      2.43647819
  O     -0.88187729     -3.07178890      4.83747716
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  H     -4.87348623     -4.18359530      1.52006895
  O     -0.92040640     -2.32006984      2.21808721
  H     -5.80895967      1.59166908      3.42953196
  H     -3.68637416     -3.30483870      1.08247760
  O     -4.35841835     -3.41903030      1.77169349
  H     -6.22845191      0.12866515      3.14726317
  H     -5.44683428     -0.37635213      1.24959459
  O     -6.01223664     -1.00992932      1.71141293
  H     -4.76826558      0.09298087      4.73146446
  H     -5.50227066     -1.82523757      1.76144265
          69
 Energy    -249.98462422361212     
  O     15.61324624      7.29020389     -9.93555594
  H     15.47903995      6.38816370    -10.24848020
  H     12.40947518      6.55607429    -15.59067463
  O     15.78199603      5.48856993    -15.77670574
  H     14.87282046      7.80438908    -10.28742495
  H     17.35227021      7.88515396    -17.84374066
  O     17.63562468     11.22537780    -11.19957447
  H     16.15696238      6.21594823    -16.28582276
  H     17.55326569      8.06485382    -16.32268897
  O     17.20052467     10.63402927    -13.81195759
  H     16.18708923      5.54316897    -14.89980468
  H     16.23126102     12.05672761    -14.24412674
  O     10.08019134      9.83957869    -12.61290015
  H     17.64942878     10.35633864    -10.78480816
  H     16.12969990     13.53249503    -14.69611358
  O     16.77577475      5.90452360    -13.20935520
  H     16.73631602     11.57771759    -11.11308530
  H     15.95389875      7.55807269    -13.30245541
  O     11.55924364      7.41166880    -12.74390902
  H     16.60580042      9.88432866    -13.66200493
  H     14.91820641      8.50420157    -12.62072878
  O     15.08284301     12.34430633    -11.50340973
  H     17.50429208     10.90703807    -12.93202181
  H     14.40144564      4.82582795    -11.69188121
  O     13.37038533     11.23723440    -14.90566797
  H     10.24557608      9.92918893    -13.56965450
  H     15.21461341      3.90486143    -10.75238041
  O     13.17548361      4.84750036    -15.53223261
  H      9.17507068     10.09810223    -12.46314886
  H     12.39694532      5.74186629    -12.57266672
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  H     16.34158970      5.45321008    -12.47363353
  H     13.06216279      4.85186333    -13.63773386
  O     12.20510493      7.49187475    -15.47255645
  H     17.62834146      6.23895712    -12.90437597
  H     18.25536882      9.42422004    -14.70661507
  O     16.90431277      7.81667209    -17.00483484
  H     11.78264023      7.46068643    -13.68552110
  H     18.85538099      8.10080784    -14.22870824
  O     15.62088791     12.80850081    -14.34070357
  H     10.93786085      8.13045310    -12.57770163
  H     19.97813233      7.04250008    -12.21098929
  O     15.54895397      8.43263484    -13.34796539
  H     15.24918657     12.67589691    -12.39386081
  H     18.73400388      7.77801373    -11.67049908
  O     15.22859522      4.75646195    -11.18051206
  H     14.18742568     11.98773436    -11.53844309
  H     11.15564510      9.10326319    -15.45991004
  O     13.00629371      5.00140530    -12.68591989
  H     14.05904642     11.90612865    -14.80214264
  H     11.61698280     10.55550739    -15.22622419
  O     18.61778255      8.58492437    -15.02605636
  H     13.79978926     10.47331481    -15.31686476
  H     18.36215518      8.60704852     -9.31347746
  O     19.08389202      7.29081934    -12.43402885
  H     14.11827418      5.05788517    -15.66300578
  H     17.12602624      8.08442622    -10.07890886
  O     10.83914383      9.98168995    -15.21151076
  H     12.98236190      4.09268220    -16.08150155
  H     11.70961069     10.76986852    -12.17821278
  O     17.99119344      8.51889704    -10.18830642
  H     14.86851731      8.69975298    -14.93241625
  H     12.88728664     11.11705224    -13.11411829
  O     12.62896979     11.06136038    -12.18246677
  H     15.28753208      8.62469087    -16.41100103
  H     12.94526709      8.08951630    -11.75820580
  O     13.64080750      8.62289867    -11.35028108
  H     13.02223231      7.96879692    -15.67860335
  H     13.37901226      9.54169661    -11.49488182
          69
 Energy    -249.98458526475662     
  O     12.18904337     10.94382129     -8.00022548
  H     12.05401417     11.51434443     -8.77083171
  H     12.86961457     11.61318600    -10.69103752
  O     10.72152785      7.99633378    -15.86948369
  H     11.76466728     10.11145016     -8.23149246
  H     13.54018488     12.50205711    -14.04726157
  O     11.20533396      8.41182166     -9.08863878
  H     10.64556780      7.60157053    -16.73389807
  H     13.44733386     10.98625390    -14.33497341
  O     12.24021817      7.53531093    -13.56475856
  H     10.86100918      8.95050573    -16.00729635
  H     15.75955415      7.35164243    -12.61484608
  O     15.67113744     13.64961691     -9.07237686
  H     10.83735985      7.71903816     -8.54501634
  H     17.08311151      7.40246590    -13.41868186
  O     10.96380962     10.70012934    -16.08796116
  H     12.13957290      8.18576513     -9.23674644
  H     14.16005332      6.90029342    -11.15797366
  O     10.57989896      8.89105406    -11.81582177
  H     11.75547617      7.55114419    -14.39952259
  H     13.59367454      6.67304076    -12.57571614
  O     16.20117688      8.84655460     -8.40505168
  H     11.66926012      7.95638302    -12.90475952
  H     15.49954788     13.21268052    -12.72975567
  O     14.05681629     10.36995480    -11.27473452
  H     16.00828363     14.36970716     -8.54551131
  H     15.31043434     14.25196010    -13.85437792
  O     14.96076854     11.14123135     -7.89000133
  H     14.95276704     14.01700648     -9.61756013
  H     13.82393351      8.87511173    -10.27154271
  O     16.64723772     12.60967214    -11.54259394
  H     11.68075976     11.17402847    -15.64790429
  H     14.62641544      8.16332772     -9.16669501
  O     12.15665272     12.22954224    -10.46085088
  H     10.14555964     11.03079725    -15.69600500
  H      9.94050370     11.60921576    -13.26202073
  O     12.94528120     11.81427917    -14.37116638
  H     10.66510672      9.83217196    -12.02463728
  H     11.49229581     11.67079416    -13.27004688
  O     16.44937469      7.94748373    -12.96009928
  H     10.69553256      8.78210548    -10.86513873
  H     13.54165792      8.74368699    -13.86490826
  O     14.36330652      6.50402156    -12.01580307
  H     16.72039565      8.56559772     -7.65754951
  H     15.06888407      9.00231959    -13.74948401
  O     14.83642319     13.62707372    -13.31039169
  H     15.77779247      9.69198577     -8.15609192
  H      7.74086936     11.65435753    -14.68690483
  O     13.84546563      8.07302337     -9.72634846
  H     14.99733037     10.44867880    -11.07051711
  H      8.52420517     10.36454705    -14.33579364
  O     10.72011399     11.55019265    -12.69788320
  H     14.01078915     10.10765738    -12.20244861
  H     16.76522669      9.48616532    -10.08325426
  O     14.22233548      9.43083336    -13.92034282
  H     13.99501150     11.08776099     -7.84299134
  H     16.80224140      9.20401749    -11.61618172
  O      8.61891009     11.31015082    -14.55050387
  H     15.18405859     12.00658056     -8.25007424
  H     13.06429253     13.79423736    -10.61090905
  O     16.84301959      9.90307318    -10.95077860
  H     16.90379088     11.69111869    -11.38986928
  H     14.02368037     14.33965396    -11.67976132
  O     13.72673089     14.48222374    -10.77377583
  H     16.43431739     12.97184829    -10.67292352
  H      9.27576041      8.29330948    -14.61426254
  O      8.70198549      8.66208509    -13.93099875
  H     11.49123180     12.12764658    -11.15315010
  H      9.21230609      8.62184765    -13.11082120
          69
 Energy    -249.98431916606654     
  O      1.12794949     -0.29306726     -4.06696223
  H      1.07113391     -0.81580119     -4.86223982
  H     -0.65525141      4.01684781      0.42930301
  O     -1.03120786      2.37542493      3.32411324
  H      1.24193503     -0.91730241     -3.32678021
  H      0.19683686     -1.49350484      2.13785345
  O      3.14169935      3.89391997     -2.60661704
  H     -1.46188348      1.58650880      3.67400754
  H      0.88453857     -0.48024373      3.09900928
  O     -4.32186203      1.71396601      0.01459903
  H     -1.36695281      2.48760210      2.42111173
  H     -2.89505040     -1.37265717     -1.00430663
  O      1.60631626      1.31343254      3.11067008
  H      3.24116532      2.94804446     -2.81721408
  H     -3.33264466     -2.83653543     -0.75944949
  O     -0.74756480      1.42322106     -2.88921589
  H      3.68982694      4.37263772     -3.22241521
  H      1.23886719      3.98319429     -2.55967051
  O     -3.81134763     -0.35817790      1.66405340
  H     -4.21627924      0.98437239      0.65371143
  H      0.13051383      4.34328469     -1.55653778
  O     -0.01288486      0.88896107     -0.28914631
  H     -5.22739301      2.00536776      0.07021754
  H      3.66571690      0.63937603     -2.46509154
  O      2.61315704      1.22666424      0.55289951
  H      2.15647426      2.10237730      3.22925739
  H      2.59979320      0.78433765     -3.56323195
  O     -2.09310884     -0.16764706      3.94352439
  H      0.69462260      1.62887952      3.16793892
  H     -2.31221756      0.56210124     -2.37103832
  O      2.79573327      3.81127584      3.04304408
  H     -0.12413096      0.90733282     -3.41616275
  H     -3.53078553      0.71900859     -1.42994823
  O      0.05142271      4.68014227      0.41411719
  H     -0.43150955      2.33812111     -2.83584593
  H     -0.30314961      4.04245372      3.41733953
  O      0.23868128     -1.19621680      3.05680230
  H     -3.24281163     -0.31929344      2.44196061
  H     -0.22835149      5.49482832      3.93464171
  O     -2.84327350     -2.11474759     -0.37404411
  H     -3.46808843     -1.05744331      1.09350401
  H      2.44043703     -1.56091964     -1.58091443
  O      0.28583841      3.93273945     -2.41412614
  H     -0.19133891      1.04391599     -1.22722459
  H      1.01512625     -1.98531728     -1.16038865
  O      3.32609322      1.24966072     -3.13071006
  H      0.92129346      1.05929632     -0.11699417
  H      3.50306299      0.06175442     -0.38375568
  O     -3.04030556      0.07849601     -1.95918236
  H      2.74557332      2.17012506      0.38412385
  H      4.73775067     -0.85003549     -0.58203859
  O      0.13956329      4.89755057      3.28780959
  H      2.30099832      1.14616501      1.46499927
  H      1.81618871      4.20774380      0.22644644
  O      1.59579514     -1.87930263     -1.92419305
  H     -2.33276074     -0.56345855      4.77741745
  H      3.00188940      4.02992060     -0.75674870
  O      3.93771712     -0.54940061     -1.00472214
  H     -1.27175565     -0.60419149      3.65215003
  H     -0.13069287     -0.82084471      0.12762417
  O      2.74769396      3.94798255      0.17101195
  H      2.98660176      3.95228253      2.10696450
  H     -1.04895906     -2.05765975      0.11760010
  O     -0.14855737     -1.77270200      0.31784213
  H      1.98296684      4.30350874      3.21489913
  H     -1.21541470      1.97180640      0.36737847
  O     -1.80161592      2.66522005      0.71050709
  H      0.10838475      4.99237059      1.32474891
  H     -2.70038892      2.45317959      0.43499846
          69
 Energy    -249.98376326746816     
  O     14.18801231      4.83969586    -15.45059221
  H     13.43744925      5.35727254    -15.10612621
  H     12.53715501      8.12848602     -9.62633425
  O     14.51714315     12.25164843    -11.70633805
  H     13.83708672      4.25652916    -16.11803533
  H     15.18588119     10.60846609     -8.88897201
  O     17.79222220      9.41483337    -10.83850487
  H     14.38785914     13.19016389    -11.59748191
  H     13.78256645     10.30033295     -9.45523028
  O     15.38084403      7.03352443     -8.41023788
  H     14.51181890     11.86335265    -10.81175206
  H     17.18455233      6.25975479    -11.47611423
  O     12.22225241     10.57586021    -12.33287686
  H     18.66145239      9.23774153    -11.22974187
  H     17.32463212      7.64025859    -10.75919669
  O     18.85167890      7.73113828    -15.60406631
  H     17.26854555      9.85725625    -11.51830768
  H     13.96122907      6.93091042    -11.90066825
  O     12.06151899      9.12639298    -14.61298540
  H     15.94691089      6.73715474     -9.13766190
  H     15.36975395      7.38792926    -11.43247241
  O     17.52032015      5.46157799    -13.04235015
  H     15.70328506      7.91702012     -8.20272644
  H     12.07754827      7.22042402    -14.36434548
  O     12.81683657      6.29968239     -8.94675378
  H     12.95021938     11.19657319    -12.21549886
  H     12.23103758      6.02807304    -13.37543053
  O     18.78393215     10.35997195    -14.43848898
  H     12.20838724     10.03222449    -11.53363837
  H     19.74885449      9.40281990    -13.06908637
  O     16.68116468      9.63673085     -8.32376899
  H     18.78169288      8.65105082    -15.32172548
  H     20.13618512      7.97167331    -12.65520458
  O     12.77284598      8.90772667    -10.13944050
  H     17.95053748      7.37984850    -15.62819356
  H     14.73421813      8.44030540    -13.39864105
  O     14.42350060     11.01210338     -9.32023791
  H     11.42960473      9.52530635    -15.20501525
  H     13.93487237      9.02849871    -14.58164223
  O     16.90444123      6.77112051    -10.70518031
  H     12.05363826      9.65754674    -13.79645457
  H     15.84537063     11.32114547    -12.58191344
  O     14.55927707      7.69065759    -11.86046040
  H     18.46510173      5.60019394    -13.18108112
  H     15.89539190     10.08372945    -13.51037918
  O     12.19032394      6.26473058    -14.31246072
  H     17.07489982      5.90546833    -13.77851850
  H     20.91347298      5.88267985    -13.99054942
  O     20.01261909      8.86466500    -12.31155047
  H     12.43647376      5.87715049     -8.18140270
  H     19.74695125      6.80095149    -14.43204045
  O     14.83180848      8.86950522    -14.26659652
  H     13.73215499      6.53431121     -8.70849631
  H     12.81524976      5.61280668    -10.73803063
  O     16.44828550     10.69112673    -12.99619459
  H     19.05982791     11.17561239    -14.84993258
  H     13.59600734      4.89831877    -11.91052320
  O     20.13498747      6.33078265    -13.67086611
  H     17.96798696     10.55778933    -13.95079300
  H     15.60414390      6.03786057    -15.43856241
  O     12.87577300      5.51329251    -11.69532382
  H     17.13757435      9.58761386     -9.18071667
  H     15.77679403      7.50220904    -14.96706196
  O     16.26563267      6.71020123    -15.23212852
  H     17.34119184      9.87805556     -7.67829463
  H     14.72740175      4.20929886    -13.69999484
  O     14.98360030      4.10988529    -12.77401571
  H     13.46092702      8.59762404    -10.74993512
  H     15.90334798      4.39648459    -12.73477701
          69
 Energy    -249.98363402151085     
  O     14.96017997      8.23782303     -9.46827940
  H     14.39197133      8.69021470    -10.11590995
  H     14.04710949      7.91972018    -15.80460252
  O     16.40395171      4.98176229    -14.93633029
  H     14.50682957      8.28192502     -8.62966987
  H     18.44410417      7.12074003    -15.32780445
  O     16.17140095     12.28626671    -11.23282808
  H     16.86249433      4.89652298    -14.09185578
  H     18.63368026      6.93422618    -16.85347510
  O     17.73355957     11.85672968    -13.68228034
  H     16.91362622      5.61595062    -15.45410334
  H     15.49494940     10.37995340    -15.35267908
  O      9.92445930      9.77021240    -14.32225515
  H     15.27924345     12.26290046    -11.60217822
  H     16.19270509     11.59655991    -14.69164961
  O     17.71399019      5.02750393    -12.39703636
  H     16.75262121     12.32552932    -12.00034289
  H     14.92575047      8.74801293    -12.51573035
  O     11.89520918      8.06117274    -13.26091145
  H     17.93802326     10.99721872    -13.27554174
  H     15.64340859      7.38886641    -12.49199248
  O     13.82498050     11.82090598    -12.73068355
  H     18.56858812     12.28864457    -13.84403927
  H     15.37179507      6.70631367    -10.49528607
  O     13.02623081     11.91711947    -16.44192838
  H     10.36563058      9.68413523    -15.18762336
  H     14.62794544      5.81797758    -11.55003735
  O     13.71586001      4.84347178    -15.13691815
  H      8.98664793      9.70942474    -14.48265474
  H     12.56584542      6.39209774    -12.58807672
  O     15.71950197      8.60969464    -15.63064188
  H     18.10620829      4.31675262    -11.89598946
  H     13.27304484      5.24692204    -13.32833769
  O     13.16224554      7.53731518    -15.72629122
  H     16.95403396      5.34642064    -11.88067834
  H     17.96382360      9.63297919    -11.49251978
  O     17.97094992      7.03528056    -16.17602315
  H     11.12407364      8.59587985    -13.48596062
  H     17.22326441      9.01204816    -12.68467139
  O     15.35932961     11.29866160    -15.07852871
  H     12.36838044      7.91150883    -14.09206502
  H     18.72291170      6.44895155    -13.19232013
  O     15.61333613      8.23298828    -12.95721545
  H     12.94266934     12.05381933    -13.05381631
  H     18.90734712      7.98433015    -13.22818481
  O     15.50068576      6.05518136    -11.19620858
  H     14.35652974     11.62614017    -13.51324719
  H     11.99564702      8.79995434    -16.42601682
  O     13.11896700      5.61349509    -12.44853103
  H     13.88069905     11.75781377    -16.00982985
  H     11.97736653     10.33152037    -16.64714093
  O     18.06023672      9.43038705    -12.43559127
  H     13.17806093     12.58742861    -17.10418057
  H     16.51586239      9.45005736     -9.67374199
  O     19.08552294      7.17125397    -13.71994747
  H     14.68846348      4.86216521    -15.08305727
  H     16.80907441     10.86555459    -10.23176350
  O     11.40951890      9.55395068    -16.57971987
  H     13.47896898      4.02796274    -15.57044960
  H     11.86672983     12.20288003    -14.90259319
  O     17.22863187     10.04897385     -9.91885112
  H     16.49156894      8.14092759    -15.96808377
  H     10.85490642     11.43960285    -14.02990327
  O     11.44516560     12.20267417    -14.03393684
  H     15.67808982      8.41712741    -14.67843540
  H     12.88987617      8.93204460    -12.04404687
  O     13.54451219      9.39516372    -11.50235767
  H     13.28079941      6.58443908    -15.62663763
  H     13.60028520     10.30363595    -11.83044464
          69
 Energy    -249.98342523819218     
  O     -2.55146927      0.86292204      2.91755760
  H     -2.73261615      0.96278093      3.86264243
  H     -0.41051408     -3.45819840      3.25544577
  O     -2.24556164      3.38766928      6.36087347
  H     -2.72547196     -0.06478251      2.70926655
  H     -5.56628808     -1.25966824      5.30482055
  O      1.51140129     -1.02751573      1.38443266
  H     -2.59839038      4.15647610      6.80011036
  H     -4.19900431     -0.53949982      5.29923139
  O      3.73905366      0.32550635      2.53462648
  H     -1.87113312      3.69209802      5.51393907
  H     -0.31580897     -0.88292136      6.40730305
  O     -0.10215790     -0.21409803     -0.79461998
  H      1.07854200     -0.47772971      2.05654583
  H     -1.62083686     -1.49080097      6.95894470
  O     -3.01094391     -1.85600847      2.78450217
  H      1.13607023     -0.74893777      0.54052019
  H     -2.02978885     -3.20108208      5.58632530
  O     -1.63260223     -2.16148750      0.33980254
  H      3.53776272      1.20214064      2.18755245
  H     -3.38446295     -2.56489391      5.94573071
  O     -2.05777163      3.12321429      1.46928726
  H      3.13540772     -0.26796885      2.07072082
  H     -0.72231224      2.45100656      7.10368411
  O     -1.14755401      4.09445764      4.00878670
  H     -0.73161343     -0.85583764     -0.42094636
  H     -0.35540923      0.98504767      7.40767153
  O      1.37815261      2.97889981      3.92713093
  H     -0.06540226     -0.38684414     -1.73217193
  H     -0.73796739      0.68167706      3.11176598
  O      2.79279313      2.86622710      1.53305350
  H     -2.26253835     -2.28161825      3.23033930
  H      0.60313317      1.38337492      3.48996039
  O     -0.85653289     -3.11198259      4.03734946
  H     -3.71655604     -1.79635886      3.43976606
  H      1.16721548     -4.24104774      1.38163572
  O     -4.65622577     -1.35525196      5.03534396
  H     -0.97004905     -2.78456673      0.66447317
  H      0.97091164     -2.72041872      1.58328040
  O     -1.09453453     -0.67947159      6.94710330
  H     -2.26650605     -2.06526024      1.06153314
  H      1.62460982      2.11423169      6.77882291
  O     -2.58364630     -2.93641157      6.33286879
  H     -2.31154593      2.30359265      1.92775366
  H      3.02803581      2.71034892      7.03406936
  O      0.00465029      1.88121230      7.37885244
  H     -2.81920962      3.40449745      0.96775278
  H      3.62034575     -0.05290039      4.34496226
  O      0.20318156      0.53545632      3.25705980
  H     -1.48749416      3.91512368      3.12577828
  H      3.19611419      0.59951853      5.68033894
  O      0.51799056     -3.58104175      1.61082669
  H     -0.22497617      3.79959494      4.00207518
  H      0.22279145      1.52481419     -0.12550422
  O      2.49718926      2.27090631      6.37488312
  H      1.98757500      3.03524680      3.18001547
  H     -0.38904899      2.70391089      0.65549750
  O      3.40511801     -0.24702286      5.26912550
  H      1.87940613      2.78939357      4.73117617
  H     -2.91348696      1.72836841      5.94441358
  O      0.43312804      2.38016680      0.26842125
  H      1.97046884      2.69176037      1.04058864
  H     -2.34477938      0.29304653      6.08442645
  O     -3.03906059      0.81599764      5.65492414
  H      3.29666225      3.48727210      1.01398810
  H      1.83184329     -1.11011089      5.30173016
  O      0.89383755     -1.29648950      5.15870252
  H     -0.20200577     -2.55684458      4.48783754
  H      0.60264074     -0.63886126      4.50890881
          69
 Energy    -249.98299299050007     
  O     14.22369146      9.05262222     -9.47883342
  H     14.53170733      9.94662784     -9.71855001
  H     19.14114666      7.18003363    -15.00348598
  O     14.37541908     12.55773639    -12.72746843
  H     13.73120165      9.13725004     -8.66729315
  H     14.32264031     10.34286093    -15.26916053
  O     16.57355897     12.15226765    -14.55153177
  H     13.86276118     11.82840302    -13.11513845
  H     15.42637498      9.62737712    -16.10879660
  O     11.31674942      6.77303743    -15.04850492
  H     13.83056480     13.33893927    -12.79081068
  H     16.71901752      7.67510583    -12.83025702
  O     16.94623409      8.15226509     -9.73686547
  H     15.90514214     12.42032063    -13.90917624
  H     16.24199572      8.21745753    -14.22325291
  O     13.56023643      5.90534199    -13.48801498
  H     16.08847017     11.66522001    -15.22966101
  H     17.11995866      5.78203878    -11.92200471
  O     13.09686367     10.38107091    -13.81283278
  H     11.61782418      6.58151826    -15.94593673
  H     17.44770222      7.00744508    -10.99403164
  O     12.60655972      9.31966609    -17.42195844
  H     11.96000541      6.36756007    -14.45454576
  H     16.33585771      4.49455200    -13.49185452
  O     16.96498020      4.69543337    -15.09934492
  H     17.37000580      9.01111400     -9.85923540
  H     15.92127789      3.57506270    -12.31842090
  O     16.35193464      8.06644608    -16.02059088
  H     16.01575824      8.34230589     -9.57035912
  H     17.35129907      9.69224808    -13.08206126
  O     14.63471959      5.91441844    -16.07654356
  H     14.25776738      5.35871078    -13.10656480
  H     17.70902236     11.08551391    -13.61859983
  O     18.82955283      6.76813696    -15.82908284
  H     13.54681759      6.72427995    -12.97091046
  H     19.19347798      8.83245235    -13.36249940
  O     14.85753920     10.41048496    -16.07231352
  H     13.26830218      9.66126698    -13.18836526
  H     19.03822677      7.39222943    -12.81449950
  O     16.18254996      8.35072279    -13.26853862
  H     12.26518265     10.16942495    -14.25426968
  H     18.09427363     10.66832774    -11.32961044
  O     17.69411944      6.54864613    -11.81372179
  H     11.93939648      9.49411506    -16.74672834
  H     18.79176116     11.17161806    -10.04438340
  O     15.90556197      4.48109906    -12.61691057
  H     13.40871792      9.76781580    -17.12434784
  H     12.55255134      7.59700055    -17.66844381
  O     18.04335476     10.37042706    -13.05937269
  H     16.18611146      4.98661999    -15.59377825
  H     12.12733142      6.38106981    -18.52841827
  O     19.50167237      7.92488004    -13.47660405
  H     17.67308486      5.30719111    -15.33240643
  H     16.19760652     11.31990558    -10.28186942
  O     17.99567117     10.75667716    -10.36595192
  H     15.73546271      7.32764824    -16.13094132
  H     14.98435305     11.85872591    -11.08489174
  O     12.46999252      6.62595885    -17.67355017
  H     17.24461100      7.70507767    -16.08769209
  H      9.90163592      9.61210115    -15.12020563
  O     15.23748120     11.42223500    -10.26271943
  H     13.92911489      6.06235313    -16.71777864
  H     10.96043265      8.48580716    -15.05192229
  O     10.83950520      9.44645742    -15.16103480
  H     14.23039827      5.93534240    -15.19689773
  H     13.81306032      8.49416449    -11.17968302
  O     13.75290091      8.30969489    -12.12441677
  H     19.59007435      6.68226473    -16.39747452
  H     14.65499643      8.36195134    -12.48531389
          69
 Energy    -249.98297349123825     
  O     13.78720629      2.91752559    -10.77723454
  H     13.82834908      1.98945106    -10.51642547
  H     17.76405579      6.04506681    -14.62019116
  O     12.15661791      3.11228617    -13.03289374
  H     13.22303234      2.95410409    -11.56398690
  H     15.94999399      9.49180464    -11.55979366
  O     16.44634381      3.21266254    -11.63650018
  H     11.56715301      3.82173331    -12.75059429
  H     15.29790661     10.41768268    -10.50618341
  O     18.63668970      6.91406559    -13.13443372
  H     12.78010796      3.51007104    -13.65997691
  H     14.29915741      7.17483013    -13.00158977
  O     11.54701711      7.22651099    -14.05569551
  H     16.74497485      4.10403592    -11.41726116
  H     14.05058857      6.06692763    -11.94054398
  O     13.18837980      0.48058185    -13.26910284
  H     15.53101880      3.14729849    -11.32971122
  H     12.25001418      5.61132632    -10.88883580
  O     14.08841660      0.13200431    -10.55423845
  H     18.11684105      6.53716628    -12.40339304
  H     13.35864726      4.66225000    -10.36797663
  O     17.12456102      9.33512082    -12.83934585
  H     19.55606118      6.79309929    -12.90999778
  H     15.64879212     -0.38791107    -15.09645352
  O     14.02820045      4.35929159    -14.60734190
  H     11.88849801      6.89994847    -14.89671178
  H     14.72978224      0.37385822    -14.11286287
  O     15.49618706      9.80357119    -15.10974016
  H     12.16494478      7.90888212    -13.76035255
  H      9.90476344      5.60447835    -11.92505400
  O     15.33995311      7.42817424    -16.29029550
  H     13.35302095      0.26245946    -12.34317817
  H     11.05311068      6.10130771    -12.83299502
  O     17.21179433      5.65214624    -15.30615726
  H     12.68375575      1.30384606    -13.26321543
  H     16.15453778      6.04769654    -11.95788780
  O     15.19680171      9.57760740    -10.94677559
  H     14.99929982      0.14333952    -10.90015070
  H     16.52953484      6.32228931    -10.49909346
  O     14.54625390      6.27841429    -12.74472029
  H     14.04950728     -0.55829615     -9.89841706
  H     16.49885989      3.11998908    -13.45741781
  O     13.11018930      5.59466837    -10.45007808
  H     16.68000863      9.52614995    -13.67568046
  H     16.25978787      2.09280955    -14.58510663
  O     15.63569661      0.32837795    -14.46730872
  H     17.69587920      8.57528815    -12.99791117
  H     16.70348279      1.34648160    -11.62060503
  O     10.82280491      5.45852980    -12.13784682
  H     14.22639048      5.07569922    -13.98235566
  H     16.37655309      0.26983134    -12.67113078
  O     16.87302737      5.93388697    -11.31539737
  H     14.83715020      3.83901686    -14.68428201
  H     13.21995985      5.35203831    -15.81080130
  O     16.44105318      3.02623996    -14.41995996
  H     15.47348195      8.95523375    -15.59213905
  H     12.44227528      5.62481110    -17.12020473
  O     16.52617649      0.40134709    -11.72673010
  H     15.53278810     10.49403544    -15.76497939
  H     15.21978139      8.00484801     -9.86358816
  O     12.80882079      6.05071302    -16.34927106
  H     15.98383440      6.76493688    -15.99813697
  H     14.47874273      6.68087234     -9.58891855
  O     15.30324586      7.15278837     -9.41572487
  H     14.49418460      6.98326302    -16.40180481
  H     14.01340545      9.19535683    -12.36255501
  O     13.64266712      8.90111421    -13.20475518
  H     17.08426676      4.72665384    -15.06731465
  H     14.19393862      9.28838154    -13.89833421
          69
 Energy    -249.98279648869584     
  O     11.58937426      3.94045699    -10.08871259
  H     11.78927835      4.27411829     -9.20610076
  H     16.47824641      5.55401793    -16.59370554
  O     17.82850858      4.35966296    -11.03513503
  H     11.37472960      4.72501939    -10.60872326
  H     16.99770047      5.96147152    -13.34337377
  O     14.79152151      8.60625450    -11.95695437
  H     17.22053430      3.75782653    -10.59071995
  H     17.21175744      5.04053105    -14.56980848
  O     15.09597166      8.84945879    -16.43303718
  H     17.55656882      4.40756163    -11.96091461
  H     10.42359055      7.58399211    -14.48963770
  O     18.51340449      6.89472570    -10.38259564
  H     14.60783382      7.66864072    -11.77984696
  H     11.93795551      7.78526828    -14.22980053
  O     14.97617065      5.20374586     -8.78387944
  H     14.63021001      9.06283481    -11.12338877
  H     14.50140710      5.70938217    -10.49509074
  O     15.95174912      2.72228132     -9.61894255
  H     15.99478722      8.67409155    -16.10122556
  H     14.30218086      5.28553075    -11.99095263
  O     13.27432762      8.81395331    -14.27490136
  H     15.17582313      9.53874896    -17.08705717
  H     12.94604187      2.91278101    -10.75649523
  O     14.82554957      6.04400009    -16.84149075
  H     18.29451885      5.95942249    -10.54844743
  H     13.92348567      2.88462496    -11.95989337
  O     12.41481745      5.29953423     -7.68153031
  H     19.43183282      6.91966434    -10.12744912
  H     14.44392772     10.19086219     -8.79527007
  O     17.54681861      8.13582391    -15.52471993
  H     15.32060921      4.31464179     -8.93431430
  H     15.06844867      8.79747915     -9.05035903
  O     17.41247229      5.38368424    -16.37344414
  H     14.12967571      5.13299078     -8.32329539
  H     12.77531729      8.28754787     -9.08129450
  O     16.95050827      5.04152232    -13.64074280
  H     16.17248319      1.89499155     -9.20072043
  H     11.73120400      7.40336246     -9.81514137
  O     11.21256564      7.13191130    -14.20314867
  H     15.15237017      2.56336940    -10.15493804
  H     16.44859193      8.12124512    -12.50736253
  O     14.22360145      6.01766838    -11.36665729
  H     13.80464072      8.84133068    -13.46668802
  H     17.78203426      7.53267241    -11.97291940
  O     13.73797705      2.47711089    -11.10388581
  H     13.88918577      8.88353129    -15.01458568
  H     15.87917067      6.77231466     -8.63825904
  O     14.33618957      9.39066891     -9.30210564
  H     14.06256332      5.70713389    -16.35864775
  H     17.09758046      7.47987501     -9.25563525
  O     12.04904339      7.66876568     -8.94127260
  H     14.79975025      7.00641724    -16.76211089
  H     12.46043608      6.30484669    -11.40520952
  O     17.27821363      7.70359269    -12.77812338
  H     12.25121201      6.18239592     -8.06166222
  H     11.29262610      6.69275667    -12.33951182
  O     16.30474486      7.63696166     -8.73053977
  H     12.01190469      5.29232372     -6.81794927
  H     13.82405475      4.35369343    -14.03024001
  O     11.50273611      6.46116297    -11.42968560
  H     17.56418543      8.07633770    -14.55900295
  H     15.30375665      4.33455643    -13.52421924
  O     14.40073138      4.05087569    -13.31965246
  H     17.68196986      7.23815766    -15.85124510
  H     12.10317584      5.73564222    -14.92287057
  O     12.62926122      5.01841642    -15.31004028
  H     17.79019151      4.91297808    -17.11090879
  H     12.00881259      4.38922637    -15.67250700
          69
 Energy    -249.98231118938270     
  O     13.89136279     11.63844821    -16.06703275
  H     14.55723692     11.97950690    -16.67916810
  H     20.43152901      8.11630578    -14.07064148
  O     18.89303646      7.61058314    -10.80037076
  H     14.31344394     10.93145905    -15.55288447
  H     16.71325239     12.99746606    -15.87184833
  O     16.10823286     10.18588002    -12.22641550
  H     19.14005842      7.45948591     -9.89129443
  H     16.09817472     13.30722173    -14.49955353
  O     12.55105993      9.26556340    -16.90232901
  H     17.92173006      7.63068013    -10.82368294
  H     14.43221435      7.70787783    -18.94045928
  O     16.08480108      6.02220957    -13.53879148
  H     15.63948254      9.99852933    -13.05665789
  H     13.91542996      8.54217462    -17.74593012
  O     13.36875836      5.86258649    -13.15971033
  H     16.17889301      9.34084781    -11.76643963
  H     13.96128713      9.12765693    -14.38392718
  O     18.77925591      5.83487468    -13.07640586
  H     12.82069848     10.17510197    -16.71761530
  H     15.34347425      8.84605917    -15.01462027
  O     14.16127928     13.47643256    -14.02423547
  H     12.31772135      8.88119190    -16.04752590
  H     17.48702392      9.73375266    -17.42864519
  O     18.36972035      9.04990845    -15.93091803
  H     16.07179036      6.47688609    -14.39402987
  H     16.16331443      9.43710526    -18.18359305
  O     16.18263915      7.59568601    -11.19867324
  H     17.01002859      5.78491535    -13.37809996
  H     13.32936421      6.86974488    -11.50562223
  O     16.02820461     12.58983625    -17.61325546
  H     14.33179999      5.83380701    -13.28975523
  H     12.94775972      8.28072780    -11.02934752
  O     20.40656083      7.47775386    -14.80809922
  H     13.05907592      4.96243349    -13.22456332
  H     19.60547985      9.93459177    -13.07426761
  O     16.93153808     13.10161397    -14.93746780
  H     18.93724978      6.32414130    -12.25970998
  H     19.76700996      8.79599762    -12.03002578
  O     14.71518492      8.16657785    -18.15376244
  H     19.32500554      6.26729091    -13.74428385
  H     14.65463137     11.25186120    -11.80251271
  O     14.83118485      9.51749557    -14.54779831
  H     13.71614835     14.30178093    -14.20187886
  H     13.87711670     12.37172626    -12.51653995
  O     16.87155246     10.08441745    -18.08644404
  H     13.94086486     12.87724418    -14.75658822
  H     17.54809682     10.67096167    -13.19365919
  O     13.47406563      7.50705740    -10.79495684
  H     18.29644567      9.72324826    -15.23830939
  H     17.90372745     11.74122898    -14.24331657
  O     20.20147490      9.23565459    -12.77132591
  H     19.11556499      8.48562167    -15.69249650
  H     12.08507188      8.79398683    -13.41084109
  O     13.79005011     11.68331107    -11.84679914
  H     16.17610203      7.08534954    -12.02045515
  H     12.62501122      7.42407231    -13.91012567
  O     18.21164652     10.90968705    -13.85648561
  H     15.27125397      7.59146307    -10.87255710
  H     11.15780166     10.03040910    -11.36221603
  O     12.35830551      8.30607499    -14.20049736
  H     16.16189955     13.13801785    -18.38131379
  H     12.57355147     10.45575600    -11.81525932
  O     11.93638921      9.71889766    -11.81610461
  H     16.38169599     11.70836633    -17.83189906
  H     16.97885862      7.94151069    -15.93060608
  O     16.14521632      7.45105868    -15.86752356
  H     21.31121337      7.30507324    -15.05443500
  H     15.67123171      7.55429984    -16.70195792
          69
 Energy    -249.98186094778265     
  O      9.94156369     12.88934836    -11.07232847
  H     10.06235361     12.84665604    -12.02805290
  H     13.48877795     13.48012702    -12.74850589
  O     12.37075204      7.47054354    -15.81712894
  H     10.64790261     13.45354891    -10.72489329
  H     16.04492157      8.84318004    -10.65953389
  O     13.06327602      8.40731717    -13.24729675
  H     12.66113709      6.78470954    -16.41156270
  H     16.88016447      9.55800482     -9.58745482
  O     13.07656658     13.12393282     -7.65232100
  H     12.74730360      8.30843040    -16.14447345
  H     14.09147159      9.39143417    -10.71771696
  O     13.30133867      9.93379809    -16.47593653
  H     12.83916984      7.92445000    -14.05144500
  H     13.84118869      8.15020503    -11.58191743
  O     10.58720305      9.59969009    -12.65849236
  H     13.65670376      9.12509461    -13.51456711
  H     15.01418279     14.49369418    -11.71865032
  O     13.95441666      8.80462357     -7.99314463
  H     12.75671951     13.41578432     -6.80237782
  H     14.44032126     15.83150602    -12.24771719
  O     13.74738248     11.14857443    -10.64797504
  H     12.60482297     12.29985264     -7.86314555
  H     17.05090412     10.40155812    -11.87678801
  O     11.98744642     10.78217825     -8.57655339
  H     12.53591844     10.52119502    -16.48409331
  H     17.96714493     10.92966199    -13.00262648
  O     16.34784236     13.46420334    -11.32532662
  H     13.86975037     10.22034821    -15.74809320
  H     10.62746891     12.04333511    -14.68772060
  O      9.66015213     10.41188483    -10.07772619
  H     11.45686338      9.17889836    -12.70319566
  H     10.59694866     11.27630701    -13.34788106
  O     13.24967152     12.57865327    -12.99343360
  H     10.33698094      9.70681987    -11.73413638
  H     14.77451675     12.76976854     -8.36043345
  O     16.87322820      9.32469187    -10.52192602
  H     13.19403974      9.39913709     -8.00618623
  H     15.88314716     11.67504339     -8.42189248
  O     14.24396560      8.43252838    -10.75257510
  H     14.00908542      8.43954925     -8.88795317
  H     15.55603810     10.62215085    -13.68250218
  O     14.18944119     14.97222553    -11.92043636
  H     14.44265571     11.61449874    -10.16626098
  H     14.17965894     11.30870172    -13.77736127
  O     17.08742421     11.00442410    -12.64052445
  H     13.53158525     11.66575732    -11.43320848
  H     10.37292188     10.42101290    -16.08540861
  O     10.64201970     12.16649660    -13.73136292
  H     12.56400158     10.91322556     -9.34738085
  H     10.23730532     11.50487651    -17.18151383
  O     15.52469961     12.44856408     -8.87740336
  H     11.11597271     10.58485333     -8.93915086
  H     16.84672774      9.72490893     -6.99922777
  O     14.68513010     10.54143481    -14.08758183
  H     16.21422158     13.18198751    -10.40924916
  H     15.51216501      9.56181701     -7.76601439
  O     10.73394559     11.26913256    -16.40221376
  H     16.60927044     12.67763287    -11.81791585
  H     12.45078444     14.05831539     -9.25185796
  O     16.36747116     10.02843413     -7.76524068
  H      9.71135901     11.33281677    -10.39907260
  H     12.80277472     14.65016446    -10.63482005
  O     12.06624248     14.37695554    -10.07542791
  H      8.74866103     10.24946668     -9.84995626
  H      9.99132572      9.04761896    -14.37218253
  O      9.94355665      8.89324531    -15.32539415
  H     12.31920438     12.55800427    -13.25453339
  H     10.65233693      8.26871274    -15.52601463
          69
 Energy    -249.98167836349018     
  O     12.21901090     10.89141731    -14.37276602
  H     11.73513136     11.71028829    -14.44220478
  H     15.29085317      5.85812499    -16.52890110
  O     13.71779514      5.78107577    -17.37681728
  H     12.66992650     10.91039998    -13.51026948
  H     15.46438972      5.96973451    -11.10630352
  O     13.97021045      5.34468045    -11.96061168
  H     13.18780450      5.25894641    -16.76275828
  H     15.91021704      7.11252756    -10.15753471
  O     18.39619961      4.84879262    -11.54270581
  H     13.25415893      6.61848712    -17.50042996
  H     14.45553015      7.95203622    -13.92446036
  O     12.54024715      4.10453153    -15.33239465
  H     13.12871399      5.31592505    -11.49228795
  H     12.91753913      7.73720103    -14.00620272
  O     12.45587313      8.30997088    -17.58568710
  H     13.90635555      6.11405194    -12.55150769
  H     13.57384535     10.40733440    -15.64315435
  O     15.10590764      8.56880761     -9.48254382
  H     18.93984918      5.50232546    -11.99772996
  H     14.85153825      9.55365471    -15.84770107
  O     19.62737646      6.81767229    -13.27119367
  H     17.67901293      5.34614749    -11.12454493
  H     11.08736108      5.81335220    -12.00093334
  O     11.41736266      8.24566608    -14.97318338
  H     13.39940370      3.95344989    -14.90579240
  H     10.62598167      5.41338526    -10.57934690
  O     17.57540779      3.03925934    -13.38281980
  H     12.23458557      3.24988204    -15.63008340
  H     12.11244404      7.60546437    -10.80784316
  O     18.57065243      5.13024139    -15.11056229
  H     13.11054173      8.93303718    -17.21995651
  H     13.10928861      8.19876568    -11.80908727
  O     15.97801265      5.84719644    -15.84668861
  H     12.15724519      8.67658559    -18.41348983
  H     14.65809167      4.31618934    -13.22714131
  O     16.24022474      6.42560468    -10.75518670
  H     15.48999629      9.33183927     -9.92960819
  H     15.83590996      3.49076432    -13.82514010
  O     13.69096417      7.61605139    -13.44193400
  H     14.21215253      8.48349370     -9.84267512
  H     11.38144187      5.20121595    -14.26931515
  O     14.13456287     10.00265917    -16.31665333
  H     19.28995817      6.25280678    -13.99007055
  H     10.85831333      6.65010002    -14.17228400
  O     11.33453087      5.83401477    -11.05816737
  H     20.54892618      6.97628074    -13.45603915
  H     16.01699869      7.54638190    -15.26097899
  O     12.69245084      8.36145408    -10.94820409
  H     11.54669623      9.16841652    -14.71547276
  H     16.50850349      8.44838994    -14.08865572
  O     14.98905679      3.90181160    -14.03871976
  H     11.65254459      8.19255164    -15.90911014
  H     14.38281810     10.82374002    -11.79529934
  O     10.83983102      5.79074864    -13.73044534
  H     17.86026290      3.63398876    -12.66515666
  H     13.04498824     10.13551223    -11.45618694
  O     15.92749382      8.42391877    -14.85925567
  H     17.96593566      2.18784979    -13.20508304
  H     16.68452221      9.79706559    -11.77257530
  O     13.43300962     10.86417873    -11.95915111
  H     18.32869083      4.32176040    -14.64325717
  H     16.85154555     11.19775457    -11.14869782
  O     16.20762160     10.51652258    -11.32853592
  H     17.75821538      5.43126300    -15.54030417
  H     18.23520733      7.90655155    -12.75441677
  O     17.39063443      8.28983107    -12.48536716
  H     15.67324184      5.21699129    -15.18072526
  H     16.96051071      7.63219577    -11.91891986
          69
 Energy    -249.98140974126801     
  O     11.38954929      3.29742083    -11.82918871
  H     11.21267845      3.45530810    -10.89447191
  H     19.62000230      6.04684259    -15.66880963
  O     17.45320681      4.30705019    -10.25796189
  H     11.23301331      4.14799794    -12.25832364
  H     17.33076382      6.25567962    -12.42843760
  O     14.38686522      8.40290671    -11.66836473
  H     16.80554594      3.59627963    -10.18683079
  H     18.09620896      5.62289243    -13.61569126
  O     16.36992704      9.70339798    -15.54098741
  H     17.55062744      4.51007730    -11.19731603
  H     11.01980944      8.04518173    -15.56170429
  O     17.49734364      6.70521021     -9.01136924
  H     13.87768364      8.70417488    -10.90735319
  H     12.39174415      8.04314138    -14.85801715
  O     13.86448409      4.52183289     -9.21329574
  H     14.26941033      7.43787562    -11.69627612
  H     13.93707164      5.29460103    -10.88520919
  O     15.41281171      2.32395791     -9.97239351
  H     16.60203380     10.54068418    -15.93315084
  H     14.38679804      5.14433775    -12.37648141
  O     14.04785958      8.66721083    -14.37764123
  H     17.07944442      9.48094764    -14.91076222
  H     14.36716503      2.79602201    -12.87604602
  O     16.72655243      7.04654414    -16.59002202
  H     18.24025204      6.74138764     -8.41481632
  H     13.03171688      2.54138626    -12.12316602
  O     11.10013759      4.20222186     -9.09796816
  H     17.48490776      5.80656494     -9.38918925
  H     13.58178314      8.11057996     -8.88133353
  O     18.30761594      8.87050357    -13.85347397
  H     14.36289933      3.70693396     -9.35244811
  H     12.73075414      9.38695880     -8.67283000
  O     18.90745128      6.35450187    -15.11540265
  H     12.93156852      4.29727366     -9.09897398
  H     10.92974464      6.62123439    -10.95277162
  O     17.52845813      5.41419338    -12.86373832
  H     15.56352297      1.44525244     -9.63592388
  H     11.53381885      7.43973970     -9.78122140
  O     11.62610067      7.48797050    -15.07977440
  H     14.89523756      2.22669890    -10.79371699
  H     17.30798703      7.58138951    -10.63804263
  O     13.96506954      5.73739044    -11.74284640
  H     14.79678805      9.13302209    -14.76978304
  H     16.18668655      8.15226501    -11.54822958
  O     13.94759592      2.23878368    -12.20795280
  H     14.15702981      8.68220750    -13.41584774
  H     15.69570033      6.97370885     -8.47021966
  O     12.92454339      8.69680689     -9.30125310
  H     16.58378853      7.98108171    -16.39358889
  H     14.43521452      6.09223918     -8.51002275
  O     10.89535740      6.74994000     -9.99430767
  H     15.88586397      6.60762031    -16.41167210
  H     11.35812151      6.50098613    -13.50334562
  O     17.11114800      7.86893510    -11.53829591
  H     10.96453840      5.13207667     -9.35817182
  H     12.28329036      5.93315240    -12.38924489
  O     14.74737571      6.98414044     -8.29912005
  H     10.41941908      3.99069345     -8.46553619
  H     14.86694144      4.78688136    -14.45771163
  O     11.35847624      6.02478991    -12.66588226
  H     17.97485464      8.61820042    -12.98071474
  H     16.06352985      4.56580761    -13.48883983
  O     15.19130097      4.22869215    -13.73950334
  H     18.68284473      8.06956913    -14.23889412
  H     13.30441740      6.11020693    -15.76651434
  O     14.23925857      6.14009284    -15.55127760
  H     18.15185264      6.53610879    -15.70257065
  H     14.33489938      6.97040446    -15.05916812
          69
 Energy    -249.97946108531727     
  O     13.21657923     10.65195343    -16.57511826
  H     13.39128654     11.56073958    -16.30526050
  H     18.33552283      9.47309417    -12.39295037
  O     15.57757768      7.73187151    -12.90237828
  H     12.44723837     10.33698291    -16.07555710
  H     17.13709480     10.94178215    -16.49534769
  O     16.12085090     11.82034463    -11.32129924
  H     15.41245450      8.39561700    -13.59131806
  H     16.52161587      9.71775131    -17.28232863
  O     16.80520079     12.53928574    -15.76827167
  H     16.10976978      8.16290500    -12.22202204
  H     14.42351545      9.84772002    -15.40236470
  O     12.06033064     10.36017619     -9.44852322
  H     16.82857239     12.18627041    -11.86542342
  H     15.95561438      9.76545388    -15.30338096
  O     12.94453818      7.30658326    -12.36713645
  H     15.34176479     11.77686594    -11.89590620
  H     11.38726915      9.75376298    -14.02061005
  O     14.05200934     11.51338771    -13.10179146
  H     17.20908468     12.60608560    -14.89381693
  H     11.54294743      8.58693749    -15.01683972
  O     16.63583214      6.42340061    -15.11089101
  H     15.88870403     12.82183349    -15.67272136
  H     15.91374671      7.90739280     -7.92736709
  O     13.20617565      7.72150715     -9.57856020
  H     11.49822043     10.75248330     -8.78607181
  H     14.82490433      8.07655543     -9.01334782
  O     18.82653937      8.21126446    -15.45017500
  H     12.96106782     10.69434954     -9.28742722
  H     12.98051096      6.71200078    -15.63746629
  O     14.45413093      6.51649159    -16.70880038
  H     12.60146254      7.00319368    -13.21469655
  H     11.58233765      6.11461912    -15.38100109
  O     18.81009565      9.88279437    -13.12755289
  H     13.90364605      7.39318751    -12.48875815
  H     18.89203835     13.03188888    -13.09321831
  O     17.22551157      9.99398052    -16.67652781
  H     13.27866800     11.04575039    -12.75946406
  H     18.41781641     11.56581064    -13.22660290
  O     15.14638857      9.65786107    -14.78938134
  H     14.53537213     10.87491951    -13.64953756
  H     16.71638087     10.08531455    -11.11920280
  O     11.32843985      9.52607498    -14.95697441
  H     16.31754824      6.70058362    -14.24035141
  H     16.70206916      8.83887293    -10.20059415
  O     15.68983358      8.40511878     -8.70898750
  H     17.44375639      6.92853683    -15.26161364
  H     15.08196228     10.23658391     -8.79667309
  O     12.19505678      6.77903506    -15.07231663
  H     13.04799728      7.42234102    -10.48309375
  H     15.18768974     11.46878144     -9.71935929
  O     18.11422956     12.49230040    -13.21190392
  H     12.69316063      8.53216170     -9.47210286
  H     14.30477873      9.66502886    -17.71927137
  O     17.03206734      9.17300550    -11.04394191
  H     19.63837130      8.06608978    -15.92946853
  H     14.79967315      8.21120579    -17.63424316
  O     14.64846219     11.06824132     -9.02538255
  H     18.31329706      8.86591973    -15.95851449
  H     11.86486009     10.14220270    -11.27780722
  O     15.00322386      9.06864104    -18.02523735
  H     14.54484545      5.82361168    -17.35922080
  H     12.31089722      9.02093517    -12.24835955
  O     11.97280209      9.92800877    -12.21276391
  H     15.25216165      6.47430270    -16.15161221
  H     13.94830387     12.67213265    -14.47015472
  O     13.99847800     13.11621915    -15.33338552
  H     18.84532952      9.23891346    -13.84391115
  H     13.56033598     13.95812132    -15.23693467
          69
 Energy    -249.97928505866992     
  O     12.95486503     13.16473856    -10.87662842
  H     12.05217048     13.49862011    -10.94826115
  H     16.61380768     11.89201724    -16.69976844
  O     12.57820903     12.24665092    -16.13068743
  H     13.45660652     13.57204271    -11.60072785
  H     14.98434370     13.53060915    -13.19345771
  O     12.54243281     10.51594872    -11.70964537
  H     11.62230386     12.23654647    -16.00268015
  H     13.96511014     14.59797968    -13.65061350
  O     18.17838922     11.22941240    -12.44754613
  H     12.93629039     11.58838235    -15.51578476
  H     16.39167775     15.06810500    -16.08697774
  O     10.37601224     14.05368963    -11.48773275
  H     12.74131847     11.39658652    -11.36109968
  H     15.88382489     15.97933043    -17.22459461
  O     10.08062866     11.46275875    -12.70946269
  H     13.20724756      9.90906623    -11.36195285
  H     16.53928233     11.79411315    -13.16935766
  O     13.67363451     10.55525846    -14.26238031
  H     17.71470499     11.06533423    -11.61036014
  H     16.31159496     12.20488263    -14.63327843
  O     16.53999603     14.71108511    -11.09669374
  H     18.49140596     12.14294593    -12.44893153
  H     18.14692377     10.07989416    -13.80711643
  O      9.88381232     12.30519104    -15.29142758
  H      9.71485768     14.59682500    -11.06752139
  H     18.76633501      8.96556770    -14.68148809
  O     17.81300291     14.44375643    -15.26047858
  H     10.48594511     14.39684305    -12.39357479
  H     14.18968215     12.36915355    -17.14051271
  O     13.18750999     14.84412797    -15.27835194
  H     10.83640154     10.96976855    -12.36511918
  H     15.23228805     13.49212205    -17.29010938
  O     17.39810128     11.85541038    -16.12910249
  H     10.05863767     12.28586134    -12.20578785
  H     15.01047269      8.63698057    -11.91137172
  O     14.44473887     14.27291997    -12.87974458
  H     13.17450416     10.52439446    -13.43548490
  H     14.62640794      7.95585640    -10.57714500
  O     15.60950528     15.29416930    -16.62023334
  H     14.45485689     11.10275780    -14.08642796
  H     16.32795927      8.75873865    -13.96659561
  O     15.87024882     12.12854372    -13.77776202
  H     16.19223943     14.20410769    -10.35478679
  H     14.81555091      9.06835754    -14.00282277
  O     17.98440763      9.50171955    -14.57327836
  H     15.81095998     14.76787281    -11.73054415
  H     16.09336484     11.55308222     -9.88167646
  O     15.09515050     12.54599693    -17.42395698
  H      9.06615910     12.00152393    -15.67640482
  H     15.91391299     10.13279309    -10.47199257
  O     14.68723688      8.80485336    -11.00759248
  H      9.93535112     11.91665495    -14.39971782
  H     10.29212342     14.04309019    -14.57945147
  O     15.47999628      8.50348322    -13.58535317
  H     17.86680277     13.55414856    -15.64092500
  H     11.49419493     14.99971123    -14.48843014
  O     16.56228043     10.83026532    -10.31465731
  H     18.11352354     14.35981278    -14.34961987
  H     19.48255357     14.49735529    -12.24356896
  O     10.64463494     14.79003227    -14.07917514
  H     12.98984218     13.94679737    -15.58700302
  H     17.97211033     14.29068935    -11.98460678
  O     18.72269315     13.99801553    -12.53203402
  H     13.97478177     15.13177182    -15.75758586
  H     14.91903622     13.22657355     -8.30141204
  O     15.13442367     13.03625233     -9.21111027
  H     17.54136817     10.95319350    -15.82482933
  H     14.30233957     13.08258044     -9.71113438
          69
 Energy    -249.97849557917067     
  O     11.84202212     12.31637028    -12.09746551
  H     11.57858480     11.45925150    -11.74194222
  H     12.79411214      7.64294456    -14.10183097
  O     17.44423170     11.42380926    -12.04260964
  H     12.40229024     12.71978292    -11.42277645
  H     15.83317600     10.81188269    -12.57957273
  O     12.63465726      7.61656227    -12.38582910
  H     17.98501931     11.36403289    -12.84201339
  H     14.45013358     10.94954367    -13.29873533
  O     17.23695584      6.82573881    -12.39608824
  H     17.64467845     10.63390749    -11.52356977
  H     13.40983524      9.30813472    -15.93344105
  O     14.87010528      6.92674667    -10.81351358
  H     13.38295779      7.33748148    -11.83848126
  H     13.53387015     10.82707325    -15.67010408
  O     13.43685183     12.05991424    -14.31632582
  H     12.17407806      8.30547390    -11.89625767
  H     15.30699666      9.48281490     -9.25629076
  O     17.74579420      8.88297040    -15.65823987
  H     18.04787633      6.72298010    -12.91265517
  H     15.85969414      8.82870097     -7.96692601
  O     18.04417373      8.96456325    -10.82640671
  H     16.58816122      7.19697310    -13.01465646
  H     19.65186238      9.19285530    -11.68967624
  O     16.20555849     10.51343722    -17.37071546
  H     15.66622623      6.67549665    -11.29932928
  H     21.18584945      9.33299917    -11.78576495
  O     19.43870618      7.17773508    -14.05375334
  H     15.18693712      7.47122985    -10.08573282
  H     16.04076230     13.59328997    -14.90406912
  O     17.19198030     12.55283738    -15.65036610
  H     13.99414801     12.84430449    -14.39131090
  H     15.31687569     14.96042784    -14.93609727
  O     12.98752408      7.65096509    -15.05783131
  H     12.78340344     12.21615940    -13.61829752
  H     15.69248732     13.94313586    -12.63644929
  O     14.98309668     10.37656815    -12.73146261
  H     17.34498515      9.36671659    -16.39042363
  H     16.50791234     12.99216018    -11.73534898
  O     13.74720424     10.13038261    -16.30659973
  H     16.99744404      8.56479243    -15.13057887
  H     14.50876968     13.45485991    -10.69009359
  O     15.97555714      8.86580701     -8.91291185
  H     17.46783272      8.95197054    -10.05313355
  H     13.63383116     13.96026922     -9.51776279
  O     20.38925999      9.30846956    -12.31053295
  H     17.76351185      8.21696131    -11.37696048
  H     18.60890305     10.18316846    -14.75369083
  O     15.35099184     14.12879786    -14.47100963
  H     15.31558761     10.35111361    -17.00822567
  H     19.67199691     10.46748526    -13.66935620
  O     15.85539156     13.70503608    -11.71525714
  H     16.10826544     10.57320343    -18.31719054
  H     10.98591320      9.53047214    -10.04103130
  O     13.74155041     13.23694701    -10.12869434
  H     18.98421967      7.66431304    -14.75383120
  H     12.42673901      9.93778438    -10.42599276
  O     19.03526677     10.89644573    -14.25321150
  H     19.91902710      7.84073866    -13.54422307
  H     14.40211332     10.35801892    -11.04760489
  O     11.54415969      9.74844087    -10.78416865
  H     16.85520800     11.90508615    -16.28279211
  H     14.02619399     11.43642012     -9.99273072
  O     14.13500791     10.48488287    -10.12234262
  H     17.94588629     12.13753173    -15.21542767
  H     15.34229178      8.87506734    -13.61782590
  O     15.58131448      8.09936307    -14.14746791
  H     12.50771378      6.92067755    -15.43861283
  H     14.76725290      7.79878209    -14.56606381
          69
 Energy    -249.97710390854232     
  O     12.16793141      7.18924947    -10.61669680
  H     11.22287428      7.06256561    -10.57928926
  H     16.16294057     10.06726973    -15.00122228
  O     14.22073671     11.45423222    -11.74788516
  H     12.36852414      7.54307235    -11.50092510
  H     15.67363228      8.39540783    -11.25377846
  O     16.81739100     12.08895261    -11.57832633
  H     13.87649343     10.85895436    -11.06553170
  H     16.28736751      7.42654651    -12.28784418
  O     11.77903883      7.60705473    -17.04131563
  H     13.74583367     11.26502879    -12.56391493
  H     14.93433770      5.34043582    -10.45374606
  O     16.65275510      5.74499891     -9.71462586
  H     16.90740499     13.02876592    -11.44999424
  H     13.47958343      5.80951111    -10.72030043
  O     12.94797061      6.18472078    -14.91595809
  H     15.85990864     11.89965465    -11.59965932
  H     18.43268076      7.01220000    -12.27493491
  O     13.09965300     10.58660524    -14.26540933
  H     12.48220662      7.55325940    -17.70013738
  H     17.52419565      5.93692305    -12.97864592
  O     13.95785408     10.39197404    -17.94306624
  H     12.04476519      7.01723589    -16.32328639
  H     14.20342210      4.48733288    -12.56194194
  O     16.61986324      5.47229321    -14.39952352
  H     17.14243468      5.87109711    -10.54648625
  H     14.11667708      3.20940732    -13.42905035
  O     17.18183097     10.10648242    -13.48134785
  H     17.16875158      5.14905000     -9.17771471
  H     17.76844013     10.76344177    -10.56669482
  O     15.23397874      7.16544195    -16.20213424
  H     13.28947535      5.38891975    -14.49096838
  H     18.67791167      9.54886472    -10.85111208
  O     15.44482374      9.89236961    -15.62150031
  H     12.90860191      6.86645926    -14.22749856
  H     20.15162042      8.84167566    -12.94239040
  O     15.67771180      8.16764997    -12.19379822
  H     12.43101554     10.59719902    -14.96133895
  H     18.64706618      9.19413760    -12.98716252
  O     14.13802571      5.14670184    -10.96141962
  H     13.94048782     10.40059716    -14.70964220
  H     16.81042747      9.00935207     -9.54088072
  O     17.81020429      6.29122235    -12.12099632
  H     14.57524810     10.38418500    -17.19757206
  H     16.24383404      7.56536108     -9.34154876
  O     14.25458851      4.15179012    -13.47507822
  H     13.08350047     10.51171566    -17.55276494
  H     14.08657578      8.74891431    -18.55123524
  O     18.17625582      9.98907072    -10.15641106
  H     15.85746826      4.94546162    -14.12771913
  H     14.28813595      7.67621081    -19.64891809
  O     19.31361242      8.65867049    -12.52458986
  H     16.30233474      6.06018693    -15.09614382
  H     12.95304341      8.84546175     -9.92814470
  O     15.99789277      8.49431624     -9.41999670
  H     17.12631511     10.90882803    -12.94505840
  H     14.34507164      9.29693726     -9.47093192
  O     14.11621864      7.78947876    -18.71843220
  H     16.58184923      9.46593489    -13.06566850
  H     10.57746543     10.54225073    -16.79540408
  O     13.49082247      9.63036473     -9.78099197
  H     14.99542319      7.26636708    -17.13223886
  H     11.49321227      9.30104201    -16.68114837
  O     11.44684489     10.26112457    -16.52319939
  H     14.44056685      6.83113114    -15.75881643
  H     13.99333130      8.10985190    -12.72857212
  O     13.06514519      8.14037989    -13.00884251
  H     15.42442245      8.93587800    -15.76967824
  H     12.93287779      9.00553563    -13.41684113
          69
 Energy    -249.97690753041780     
  O     13.05390983      2.27292448    -17.44513499
  H     13.07572004      3.11073901    -17.92684407
  H     10.44457485      2.77944850    -19.38172089
  O     16.70512266      3.82560482    -18.72238835
  H     12.21511642      2.25666670    -16.97090343
  H     13.12943004      0.88526107    -18.50271690
  O     12.84411325      4.67864736    -18.79379915
  H     16.11780860      4.09357346    -19.44032269
  H     13.32198857     -0.64730678    -18.59465440
  O     11.92344134     -0.38471185    -15.59258653
  H     16.92739547      2.90365071    -18.89921118
  H     10.03638659      0.59872978    -18.89820986
  O     14.75542492      1.27633442    -20.97506986
  H     13.55503839      4.60367437    -19.44208404
  H     11.41939228      0.55983268    -19.57843910
  O     12.92073536      1.74797246    -14.08960500
  H     13.16148047      5.14452708    -18.00466404
  H     17.79180241      0.77974206    -20.00287068
  O     10.53721655      4.14226213    -21.98425626
  H     12.56531587     -0.88427609    -16.11134513
  H     16.28504568      1.10730511    -20.09102709
  O     14.73906549      4.09124058    -20.72843132
  H     11.12726647     -0.32055223    -16.13021865
  H     14.71642292     -1.22752700    -17.13448253
  O     10.35854634      2.82330431    -16.50581165
  H     14.17088237      0.81263676    -20.35847902
  H     14.12125879     -2.65602114    -17.10402558
  O     10.38786372      1.32232430    -22.40203491
  H     14.27300347      1.35947200    -21.81043978
  H     15.88767127      0.57353807    -16.50334482
  O     16.32851859      4.59476126    -16.15957619
  H     12.52474716      0.97097917    -14.50993651
  H     16.46150975      0.20991543    -17.88994909
  O     10.32470957      3.71462965    -19.16736356
  H     13.82181579      1.80124911    -14.43434039
  H     15.67124130      2.90715799    -15.71881546
  O     13.08719309      0.13087620    -19.11368519
  H     10.33193414      4.18450129    -21.04246188
  H     14.46579850      2.13632116    -16.30677487
  O     10.51030949      0.87585830    -19.69163407
  H     10.37805909      3.22474611    -22.23991591
  H     11.57692268      4.59213825    -13.75098740
  O     17.04793667      1.08496102    -19.48864591
  H     14.25354174      4.40208527    -21.50328079
  H     12.23784162      3.31218761    -14.31896910
  O     13.89004263     -1.73866371    -17.21871582
  H     14.74227133      3.12486356    -20.78311154
  H     14.56342390      5.28622180    -16.19339449
  O     16.08005562     -0.17106663    -17.09086731
  H     10.24962811      3.32209227    -17.32751163
  H     13.09863014      5.12236310    -15.70560879
  O     15.20549431      2.06343552    -15.68297620
  H     10.74402747      3.40332967    -15.83765470
  H     13.15335862      2.75708793    -23.19689259
  O     11.85553105      4.17593311    -14.56246797
  H     10.36657724      1.10044871    -21.45625985
  H     12.22296472      1.55697271    -22.94749709
  O     13.65350238      5.56154440    -16.36164543
  H      9.74589778      0.76104829    -22.82983104
  H      9.74589539      1.20838515    -16.79477475
  O     13.14175745      1.79480182    -23.12187920
  H     16.49636462      4.36096318    -17.09099947
  H      8.68524211      0.08572081    -16.71657943
  O      9.52811804      0.31021353    -17.10318078
  H     17.09820254      5.06507555    -15.85124581
  H     12.13838508      4.56943813    -22.55403517
  O     13.04547744      4.66746875    -22.89460939
  H     11.20817141      4.11176182    -19.08360075
  H     13.01551731      5.34737261    -23.56232869
          69
 Energy    -249.97636593296181     
  O     11.58692763      6.73643464    -15.45197033
  H     12.32160680      6.90295500    -16.05939462
  H     17.15391739      6.60180517    -16.53901216
  O     17.12464186      7.50037159    -13.53474925
  H     11.24752488      7.60394703    -15.20466920
  H     13.25052134     10.52802933    -16.82269688
  O     14.45208074     10.55179750    -11.61103828
  H     16.73711147      6.79885386    -12.99302283
  H     13.35559183     11.23527514    -15.46808810
  O     14.80967728     11.27813693    -14.28218384
  H     17.23470253      8.27255114    -12.96593977
  H     14.40489945      8.07556134    -15.30506696
  O     15.79231233      5.30037900    -16.87797717
  H     13.76250782      9.89581544    -11.78796712
  H     15.54024960      8.09892705    -14.23718290
  O     14.21936976      7.02105233     -9.05042472
  H     14.51611318     11.06010469    -12.43034717
  H     11.55205481      4.04744131    -13.84038837
  O     15.85476183      5.60946274    -11.97637030
  H     15.73682519     11.51782482    -14.38828579
  H     11.94928510      5.44957404    -14.35941145
  O     12.68350951      8.68450512    -12.64290780
  H     14.77234427     10.31672029    -14.41880218
  H     16.79592262      9.22184951     -9.13787051
  O     16.98441068      9.92418481    -16.77601755
  H     15.53036999      4.97254313    -15.99835950
  H     18.27577756      9.36488481     -8.69662867
  O     17.00085156      6.20163499     -9.46672341
  H     15.96290968      4.53256444    -17.41673230
  H     15.40301670      4.73173733    -13.60410001
  O     17.63948529     11.30963496    -14.28105482
  H     15.08862611      6.60673265     -9.08762467
  H     14.02661517      4.49503318    -14.25061796
  O     17.72320425      7.32472066    -16.25190421
  H     13.73358193      6.67815716     -9.81172758
  H     16.22184751     10.02197071    -11.82588798
  O     12.71749634     10.86446073    -16.09264428
  H     14.92874429      5.84550246    -11.81748929
  H     17.50049288      9.54461312    -11.09838566
  O     14.68770776      8.48132827    -14.47688612
  H     16.30868664      5.69057056    -11.12940414
  H     14.81444702     10.08804036     -9.80582916
  O     12.21324581      4.72934429    -13.75821585
  H     13.40325921      8.53446854    -13.27919038
  H     14.69239114      8.78283230     -8.97294164
  O     17.70735215      8.91829017     -9.31813374
  H     11.93007693      8.96594498    -13.17397442
  H     15.45199874      9.89699914    -17.56717148
  O     14.97473540      4.48242815    -14.43182037
  H     17.27265391     10.40421238    -15.99448694
  H     14.70213384     10.12161876    -18.90054697
  O     17.15842532      9.81376492    -11.95853704
  H     17.30262993      9.01430609    -16.66590861
  H     12.76532709      5.60519824    -12.19554947
  O     15.15226806      9.63494030     -9.02370494
  H     17.32047014      7.11616238     -9.42641979
  H     12.92290356      7.09923588    -11.85182616
  O     14.58764794      9.80441430    -18.00888646
  H     17.53757657      5.69638067     -8.86021443
  H     11.50554033      9.93653532    -15.22511708
  O     13.15945354      6.20836586    -11.55355703
  H     17.58762236     10.80290126    -13.45524741
  H     10.03721702      9.84202950    -14.75441006
  O     10.88449128      9.40941632    -14.69156700
  H     18.36700162     11.91902314    -14.18041281
  H     14.12394036      8.11406144    -17.42733915
  O     13.87811449      7.33724999    -16.90839494
  H     17.66563089      7.33064700    -15.28588349
  H     14.54853874      6.65302913    -17.03531635
          69
 Ord_Energy   -249.975708    
 O    4.79209661      0.800712407       8.23459816    
 H    5.14197874       1.51580977       8.78079987    
 H    5.25221348      0.833635330       7.38825226    
 O    4.82395315      -1.55670667       9.78488731    
 H    4.87954903     -0.775021672       9.21096897    
 H    5.55051804      -1.46814990       10.4121103    
 O    5.65097284       2.83005285       9.92795849    
 H    5.35557079       2.34839058       10.7107725    
 H    4.95099401       3.45357370       9.68906307    
 O    6.79276562     -0.568921089       11.5394726    
 H    7.28712654     -0.758200049       12.3332949    
 H    6.12590456       9.39854383E-02   11.7824020    
 O    6.08751678      0.851000607       5.72118473    
 H    5.23035049      0.734846056       5.28107738    
 H    6.49310732      -1.13752102E-02   5.87146616    
 O    2.53187037     -0.346977621       10.7728920    
 H    3.23383021     -0.987559974       10.5979776    
 H    2.22585726      -8.45387802E-02   9.89141560    
 O    4.49914598       4.47295046       6.44319105    
 H    4.32164192       4.60891867       7.38219929    
 H    5.41209364       4.17177105       6.36322260    
 O    1.41296756       2.96908951       7.98380709    
 H    1.55568159       2.01581168       8.07932186    
 H    1.57965767       3.15555954       7.05188894    
 O    2.36571240       3.24285078       5.33774424    
 H    2.03639078       3.76675701       4.61183691    
 H    3.16048527       3.69853234       5.67189169    
 O    7.21767807      -1.54983199       6.61531305    
 H    7.95744610      -2.05134416       6.28330564    
 H    7.51079226      -1.14157176       7.45139027    
 O    4.61798859      -2.57544756       7.18238068    
 H    4.62745762      -2.45377493       8.14099789    
 H    5.49882936      -2.30980992       6.89058924    
 O    2.34218335      -1.55920208       6.10357285    
 H    3.15602994      -1.96557927       6.45314550    
 H    1.83487022      -2.26046133       5.70429754    
 O   0.827132046       1.30870509       12.1710625    
 H   0.196519986      0.820174873       12.6950665    
 H    1.39234161      0.650725842       11.7346535    
 O    2.97626519       3.01713967       13.0600281    
 H    2.18302751       2.49175739       12.8943663    
 H    2.83162308       3.85463333       12.6035948    
 O    2.11458230      0.332099587       8.14660931    
 H    1.99945259     -0.344169974       7.46910524    
 H    3.05869699      0.564896107       8.13375854    
 O    2.22972393       5.28764534       11.4534121    
 H    1.88076305       6.12518501       11.7461185    
 H    1.47241664       4.75844955       11.1414366    
 O    7.08375549       3.35531425       6.03316402    
 H    6.76545238       2.45149541       5.85914230    
 H    7.63420296       3.60008526       5.29334450    
 O    3.55223489       4.42611742       9.12257290    
 H    3.19854236       4.86199570       9.90743256    
 H    2.82723618       3.90270424       8.75241470    
 O    8.05056000       2.43406320       8.57144356    
 H    7.84968233       2.83037329       7.71617603    
 H    7.30802202       2.67576337       9.14317226    
 O   0.325475782       3.60385013       10.5112133    
 H   0.545712769       3.39039874       9.59427071    
 H   0.393597066       2.78316951       11.0143814    
 O    3.55225682      0.677398264       4.77588320    
 H    3.05130911      -5.52636199E-02   5.15320015    
 H    3.06427050       1.48791945       4.96689844    
 O    8.00662041     -0.308181465       8.88226891    
 H    8.11464977      0.645955265       8.74540520    
 H    7.69555855     -0.410964549       9.78634930    
 O    4.66738939       1.18357527       11.9608040    
 H    4.20937061       1.86299717       12.4783783    
 H    3.97115088      0.678804755       11.5219469    
          69
 Energy    -249.97568606406873     
  O     -6.48144801      3.63440567      0.08521376
  H     -5.62156463      4.05973063      0.18560608
  H     -5.08063740     -1.09233381      4.86459837
  O     -7.32253836      3.30228722      2.77352074
  H     -6.86513099      3.61257800      0.97076871
  H      0.12094565      1.36704011      2.18691559
  O     -3.89750999     -1.86483766      1.65266087
  H     -8.12872462      3.40350419      3.27147592
  H     -0.97056637      0.28385283      2.04018147
  O     -1.30062145     -1.05028065     -1.62045809
  H     -7.17530342      2.34466987      2.66360780
  H     -1.71575271      2.21256199      1.30093892
  O     -4.55001147      1.01546855     -2.10730849
  H     -4.55651474     -2.25575356      1.06434712
  H     -3.11304941      1.95069614      0.70892588
  O     -5.67660361     -2.68892921     -0.35757274
  H     -4.32206721     -1.63831657      2.49086333
  H      1.74174734     -0.36455474      1.09268201
  O     -3.96810276     -1.72298528     -2.19660737
  H     -1.45855939     -0.10358482     -1.74776663
  H      0.64205240     -1.44147606      1.09164969
  O     -1.81584550      1.68895184     -1.91390442
  H     -0.37761740     -1.21157990     -1.85050358
  H      2.46939481      2.13981470      1.36143698
  O     -1.24921303     -1.28522316      1.15978334
  H     -4.46410492      0.89452701     -1.14826162
  H      1.46458189      1.66289397      0.28688600
  O      1.49621876     -1.18763637     -1.88218356
  H     -5.46001321      1.30807498     -2.23050570
  H     -7.94361553      2.10002931     -2.24218771
  O     -6.72917009      0.71769214      2.33580540
  H     -5.06352124     -2.39781735     -1.05760171
  H     -6.97722242      2.44491486     -1.08624839
  O     -4.98466201     -0.76556746      3.97474693
  H     -5.99507893     -3.55107340     -0.61162566
  H     -3.63684400      2.11890826      3.76572297
  O     -0.78434653      1.14770859      2.43926524
  H     -4.24098410     -0.80795871     -2.34864221
  H     -2.34771739      1.27032095      3.57632426
  O     -2.35122961      2.55044800      0.65809299
  H     -3.01509435     -1.68114081     -2.04575681
  H     -6.92985853     -1.24793961     -0.17127984
  O      1.55990749     -1.27703747      0.83517574
  H     -1.91313728      2.06456551     -1.02577289
  H     -7.43597486      0.15192809     -0.62456225
  O      1.71783836      1.56982600      1.22254087
  H     -2.71807029      1.57165014     -2.23847466
  H     -4.10510258     -0.14158044      0.93856210
  O     -7.22814598      1.74776857     -1.71954724
  H     -1.28291809     -1.20833781      0.19554104
  H     -5.18462910      0.93836734      1.16300161
  O     -3.23288929      1.25910988      3.95593727
  H     -2.11150809     -1.62666956      1.42975525
  H     -3.27446925      4.04495300      0.63236659
  O     -7.52497129     -0.52403323      0.05876455
  H      1.60414648     -1.30517252     -0.92089815
  H     -3.47632057      5.56679788      0.45069437
  O     -4.38855037      0.73739577      0.65807542
  H      2.15830037     -1.72725315     -2.30459494
  H     -4.27509041      4.12693665      2.50773568
  O     -3.92624106      4.76359914      0.69951858
  H     -7.10266848      0.19935930      1.60574250
  H     -5.49488568      3.59246536      3.25987439
  O     -4.53173477      3.63683406      3.29676062
  H     -6.24765859      0.13277848      2.93262558
  H      0.10353279      1.75401348     -1.72575376
  O      1.00457020      1.60112146     -1.41650837
  H     -4.33082919     -0.04016373      4.00781997
  H      1.24285814      0.71548461     -1.71942698
          69
 Ord_Energy   -249.975006    
 O   -3.77701139      -2.09467125       5.31735134    
 H   -3.10689712      -1.54325974       4.89770460    
 H   -3.79107618      -2.94201612       4.85315704    
 O   -8.00620937       1.58703470      -2.49568415    
 H   -8.00667667       2.26305723      -1.80663586    
 H   -8.79410648       1.05227196      -2.33983326    
 O   -4.99786472      -1.42725158       1.76761591    
 H   -5.33886957      -1.17032301       2.63367367    
 H   -5.52222919      -2.16809654       1.44133139    
 O   -10.1783953     -0.112109743      -1.59872639    
 H   -10.2651091      0.483700246     -0.832821548    
 H   -11.0566397     -0.252926290      -1.94101405    
 O   -6.88585234      -4.04641581       3.34607410    
 H   -5.99069786      -4.24479723       3.64387536    
 H   -6.83779907      -4.00030088       2.37986016    
 O   -7.94876385      -1.52137089     -0.603866160    
 H   -8.77944183      -1.20198071     -0.976941228    
 H   -7.24142838      -1.12223554      -1.13168705    
 O   -4.13275242      -4.57628059       3.96832514    
 H   -3.69664717      -4.54788637       3.09932828    
 H   -3.86814332      -5.39654064       4.37796259    
 O   -8.05145645       3.39101410     -0.241916522    
 H   -7.40947819       3.02042437      0.386637270    
 H   -7.96260214       4.33955050     -0.195916817    
 O   -4.37927055      -4.42026854     -0.891080141    
 H   -4.32762289      -5.12667084      -1.52950478    
 H   -4.18157911      -3.59462905      -1.36911702    
 O   -4.38917780       1.52555478       3.63229322    
 H   -4.92154408       1.95627010       2.95773101    
 H   -4.97786045      0.853583276       4.01130009    
 O   -6.33940077       2.08738279       1.48029959    
 H   -5.64145708       1.71346176      0.921426296    
 H   -6.92893171       1.35568678       1.71514082    
 O   -10.0856390       1.54433048      0.549244285    
 H   -9.52994537       1.01157451       1.13567197    
 H   -9.53753948       2.29761386      0.295899093    
 O   -3.88322616      -2.07622433      -2.11659479    
 H   -4.63364935      -1.48494744      -2.26606655    
 H   -3.17698956      -1.53055859      -1.75178874    
 O   -8.16056442      -5.91245592E-02   1.81497204    
 H   -8.03936863     -0.599943876       1.02235115    
 H   -8.28670120     -0.661634684       2.55716658    
 O   -5.98351908     -0.217061251      -2.06759810    
 H   -5.46109009      0.188602388      -1.36088514    
 H   -6.62059069      0.449454576      -2.36379194    
 O   -2.15308070      -1.88242495E-02   3.99440289    
 H   -1.54134059      0.451826364       4.55465651    
 H   -2.89797378      0.587115705       3.83197522    
 O   -2.26396990      -1.62792194       1.73319066    
 H   -3.23518252      -1.65047538       1.73492813    
 H   -2.02646351      -1.08980012       2.49901581    
 O   -1.97732401     -0.433088452     -0.714639604    
 H   -1.08168101     -0.178942159     -0.920298994    
 H   -1.95394289     -0.886078417      0.145736203    
 O   -4.45983839      0.674498916       6.68655112E-02
 H   -3.55757046      0.514904737     -0.230969265    
 H   -4.67856455      -4.99325395E-02  0.675800681    
 O   -5.87217569     -0.656886697       4.35414314    
 H   -6.74915504      -1.04744256       4.42259836    
 H   -5.24100351      -1.21666896       4.83288860    
 O   -2.89295650      -4.36540651       1.55785179    
 H   -3.35116339      -4.43444443      0.711736381    
 H   -2.47821975      -3.49295402       1.57548773    
 O   -8.35834503      -1.88622701       3.99076295    
 H   -9.09946442      -2.12040615       4.54218340    
 H   -7.87892389      -2.71194887       3.79344964    
 O   -6.52615356      -3.51248860      0.663986027    
 H   -7.10685062      -2.93706083      0.146370023    
 H   -5.86769199      -3.89690495       7.17899203E-02
          69
 Energy    -249.97493105453404     
  O     -1.58803059      3.84497838      2.68733797
  H     -1.06640634      3.04411874      2.81582706
  H     -0.72784401      8.39783410      0.81298431
  O     -2.81133828      5.88321212     -0.80169736
  H     -2.22926616      3.65763076      1.98656474
  H     -0.14706587      2.92686863     -2.93937456
  O      4.40054114      6.84155042      1.69453649
  H     -1.91661622      5.89318105     -1.17503954
  H      0.24494934      4.14825344     -2.08453778
  O      1.72981739      7.23939038      2.42270304
  H     -2.80240661      6.53092520     -0.08621172
  H      0.94488166      8.39398519     -0.89992499
  O     -0.17585963      5.80831735     -1.53570209
  H      5.23392061      7.30190507      1.73466806
  H      1.43045810      8.88351766     -2.28796135
  O      2.46230559      3.87746682     -0.35129514
  H      4.16702750      6.75938578      0.75110145
  H     -2.15772716      1.16454577     -2.80455173
  O      0.41652316      5.15745553      1.05527403
  H      1.55493149      6.93095041      3.32133225
  H     -1.81954295      0.83626883     -1.34157795
  O     -2.43982100      7.70329768      1.35709453
  H      2.67732645      7.15074527      2.25652544
  H      2.59087889      3.75730003      3.29334845
  O     -0.74093098      1.87148656     -0.09040429
  H      0.00874434      5.63157582     -0.59802684
  H      1.29807996      2.93326498      3.43926657
  O     -1.59055015      6.42559378      3.60676151
  H      0.32468505      6.59820831     -1.77142835
  H     -4.15927308      3.47004718     -2.43599611
  O     -3.05316782      3.40351186      0.41996594
  H      1.77209975      4.23718824      0.22777218
  H     -3.46677200      4.83982645     -2.29413222
  O      0.17397875      8.67545334      0.61670721
  H      1.99687756      3.48574775     -1.09854150
  H     -2.33697860      3.18482324     -3.67201598
  O      0.45033062      3.21288686     -2.23827393
  H     -0.22086340      4.74396413      1.64639809
  H     -1.72535464      2.57337521     -4.95449060
  O      1.36886464      8.11207290     -1.73192696
  H      0.85539211      5.86551485      1.54519900
  H      0.20933373      0.73286896      2.77389913
  O     -2.46302210      0.65968773     -2.03923941
  H     -2.13545763      7.26864015      2.17357671
  H     -0.05174387      1.65902169      1.56811663
  O      1.80060743      3.64677275      3.84394148
  H     -3.07950162      8.35862791      1.62629435
  H      1.25537657      5.14738972      4.50910634
  O     -3.63050353      4.12025988     -2.91575760
  H     -0.24242899      2.30588807     -0.79592730
  H      1.24634091      6.09185412      5.73363705
  O     -1.65827611      2.57005689     -4.00331169
  H     -1.52519882      2.41622106      0.06940085
  H      4.19189466      4.95020379      2.03718727
  O      0.15976763      1.65029869      2.51642671
  H     -1.71899068      5.48921271      3.39258408
  H      3.56711983      3.81316595      1.21276222
  O      0.99586122      6.03614796      4.81582793
  H     -0.77039699      6.44696550      4.11125372
  H     -5.51580809      1.45059439     -1.32582336
  O      3.90291009      4.03173572      2.09179040
  H     -3.73892094      2.91281433     -0.04745314
  H     -3.99013589      1.41078208     -1.59252597
  O     -4.72913468      1.98834135     -1.32898765
  H     -2.99347953      4.27570649      0.00354563
  H      3.19707995      5.56048748     -0.81188672
  O      3.53501105      6.46598546     -0.82661925
  H      0.72855105      8.29869009      1.31495318
  H      2.83905905      7.02331364     -1.19359540
          69
 Energy    -249.97478355488778     
  O     11.59837988     10.95929970    -12.59643240
  H     11.28075131     11.78589863    -12.24001931
  H     15.93184525      5.96254304    -11.91343921
  O     13.75681697      7.18842986    -17.79278940
  H     12.27658436     10.63338361    -11.98146551
  H     14.11468994      8.47202860    -13.80210352
  O     14.38380727      5.45263743    -12.65009670
  H     13.53421807      6.30745192    -17.46946486
  H     13.43364402      8.50922107    -12.41405556
  O     13.64531658      4.50088668    -16.68118455
  H     13.02555496      7.77000929    -17.55180599
  H     12.37598220     10.82950966    -14.35176397
  O     10.16838763      8.43272783    -12.33331056
  H     13.62809189      4.91484286    -12.38898268
  H     13.70935161     10.46507746    -15.05540264
  O     11.68543365      8.98077980    -16.95971723
  H     14.04501908      6.34402410    -12.83009408
  H     11.73444202      4.30178597    -13.08585359
  O     16.03354135      7.77769305     -9.41909026
  H     14.44264615      4.60564301    -16.13739706
  H     11.58689323      3.36253057    -11.86443692
  O     18.53421986      7.81031644    -14.97922136
  H     13.83348586      3.80299380    -17.30519083
  H     10.95523595      7.23815032    -11.20854292
  O     11.23227904      7.38362472    -14.69988177
  H     10.31934402      8.03588092    -13.20233441
  H     11.56153610      5.80650286    -11.15055634
  O     18.28217105      5.24220909    -13.66001672
  H     10.51448872      9.32887740    -12.40620175
  H     15.23217112      5.11815826    -14.18684143
  O     16.08222324      7.47195104    -16.39075341
  H     12.07630108      9.66476359    -16.38634371
  H     16.68755940      4.93776788    -14.66815880
  O     16.77701707      6.34031269    -11.62912150
  H     11.11271377      9.43126318    -17.57461597
  H     12.19366456      4.50370397    -15.44232650
  O     13.53444787      7.97480494    -13.21013385
  H     16.17450994      8.69310666     -9.68697087
  H     11.30445375      5.57888514    -14.78979676
  O     12.79257646     10.72711639    -15.21568051
  H     15.08902225      7.70322076     -9.23089735
  H     12.58818979      7.34760731     -9.59473452
  O     11.94211854      4.20337701    -12.13835122
  H     18.61084646      6.91383857    -14.63001061
  H     12.80987411      7.88661406     -8.16260067
  O     11.48526605      6.63521225    -10.66676173
  H     17.82743045      7.77413786    -15.63783824
  H     15.54238112      8.87449452    -15.39177931
  O     15.77916866      5.01893719    -14.98125665
  H     12.02677029      7.60113470    -14.18938615
  H     15.95285033      9.44506413    -14.01884676
  O     11.52295491      4.63547832    -14.76301238
  H     11.27639652      7.89761853    -15.51496390
  H     14.43597722     10.07366511    -10.94787378
  O     13.20060629      7.85741547     -9.03178173
  H     18.96893448      4.65398939    -13.35607103
  H     13.34351673      9.20038084    -10.27131935
  O     15.27689575      9.50429298    -14.70519911
  H     17.84830879      5.59787101    -12.86543213
  H     16.69277880      9.91356169    -11.49940239
  O     13.51480110      9.79197167    -11.01638313
  H     15.99821212      6.65214187    -15.88665866
  H     16.78451476     11.11864942    -10.53560899
  O     16.25712313     10.35317326    -10.74883686
  H     15.34920848      7.46211570    -17.02443013
  H     17.82766310      8.65989091    -13.54851169
  O     17.24995063      8.86609654    -12.79925913
  H     16.61929012      6.74153138    -10.76244157
  H     17.03373084      8.01428372    -12.39523308
          69
 Energy    -249.97435256885595     
  O     17.24025692      9.25916398    -12.20299896
  H     18.01627690      8.95528489    -11.70948036
  H     13.07512781      9.25905532    -12.04490638
  O     13.72512362      6.79829166     -7.37857120
  H     17.17588615     10.21845154    -12.10949044
  H     18.56824574      3.83375210    -11.60056343
  O     16.95486622     11.96589381    -11.62179083
  H     13.43119329      6.58225021     -6.49724820
  H     19.73383432      3.22442558    -10.78489906
  O     12.03490277      7.65784730     -9.61770893
  H     14.30824304      7.57131385     -7.29741565
  H     15.38957389      6.78709564     -9.83485540
  O     15.91456974      7.27853467    -13.59204179
  H     17.34839266     11.93892442    -10.72954852
  H     14.80167279      5.92579158     -8.70520047
  O     19.22562969      8.19544950    -10.62491081
  H     17.25406286     12.77322968    -12.03146887
  H     19.84011448      5.50507820    -12.04623573
  O     19.74470974      9.78791772     -8.34063488
  H     12.09804968      6.98599882    -10.31436714
  H     19.81765218      7.04190755    -12.00383237
  O     18.15168232      5.99774967     -9.26690947
  H     12.50410973      7.31515421     -8.85122658
  H     15.05470000     12.41691126     -7.12818915
  O     12.40366014      6.06925201    -11.88207923
  H     16.59572708      6.78649338    -14.06755635
  H     14.98493211     11.78408717     -8.53835579
  O     14.43595070     11.86751554    -10.18499771
  H     16.37324076      8.00560692    -13.14528429
  H     18.78506175      6.07010133    -13.93972475
  O     13.30658444      8.22008350    -13.61695700
  H     18.81876829      7.44573304    -10.16451359
  H     18.56445465      5.81998821    -15.45018783
  O     13.07814689      9.63426652    -11.15629150
  H     19.53232382      8.79956243     -9.93920601
  H     14.59877083      8.86881728    -10.53486836
  O     19.26240505      4.03686802    -10.94750285
  H     20.54984685      9.90897754     -7.84463727
  H     16.11134073      8.78234730    -10.87396896
  O     15.39383231      5.88848244     -9.46409324
  H     19.20439805      9.14162069     -7.85007418
  H     17.14191531     11.75039524     -8.48767967
  O     19.89826364      6.29072281    -12.60469503
  H     17.19422738      5.86422762     -9.30879093
  H     18.53449894     11.13447084     -8.79951558
  O     15.40239462     11.70648221     -7.66031105
  H     18.56025292      5.26451814     -9.74350441
  H     15.15932338      5.19776704    -11.11729979
  O     18.11270422      5.85474084    -14.61127253
  H     13.19099980      5.51554167    -11.94902735
  H     15.33100948      5.80850468    -12.53580415
  O     15.44100227      8.49413410    -10.24460171
  H     12.54051306      6.76776259    -12.53266977
  H     17.23489213      8.23595441     -7.19545371
  O     17.88446844     11.77962197     -9.10292842
  H     13.86124803     11.17644111    -10.54263432
  H     18.18665015      7.16083312     -7.77786695
  O     15.05200956      5.01284940    -12.06185743
  H     15.18676020     11.93551495    -10.78574217
  H     15.43498371      9.86912050     -7.39264124
  O     18.15259426      7.93384659     -7.19889494
  H     14.21761859      7.89108525    -13.68671097
  H     15.54966388      8.79705501     -8.49152767
  O     15.51321263      8.91721879     -7.52928314
  H     13.00806629      8.38670362    -14.50787242
  H     16.49769056      3.97758591    -12.57077449
  O     17.37592487      3.69097161    -12.85837380
  H     12.58192742      9.02797291    -10.58136280
  H     17.61369732      4.28333677    -13.58150585
          69
 Energy    -249.97366492237578     
  O     10.50252328     12.56877699    -11.72425598
  H     10.60950230     12.32335660    -12.65151361
  H      9.35468715     10.11359125     -9.47573555
  O     14.48056994      9.11066382    -17.42910965
  H     10.31662715     11.76474629    -11.22564025
  H     12.76926629     12.52973552    -13.85819839
  O     11.74491755      8.93816194    -11.82599314
  H     14.71594815     10.04562373    -17.49912090
  H     13.69823402     12.02466885    -12.73519197
  O     14.85775675      9.04181065    -14.72465697
  H     13.52230973      9.07124408    -17.54134950
  H     16.00560000      8.54059599    -11.50283997
  O     13.68436612     12.55781428     -9.28638900
  H     11.03350497      9.24487806    -11.25216486
  H     15.62964004      8.97354340    -10.06176999
  O     15.05781422     11.89777265    -17.15039478
  H     12.46340760      9.58185681    -11.71544851
  H     15.32042393      7.85346703    -13.52563598
  O     12.05284310      9.15086773    -14.52869580
  H     15.25415175      9.91161673    -14.58188669
  H     16.16579355      6.60776603    -13.17820486
  O     14.40081539      8.25743712     -8.79329335
  H     14.80126885      8.91563389    -15.68399618
  H     14.03342393     14.21992834    -12.55070017
  O     13.77232487     10.78274373    -11.45987900
  H     13.04791000     13.23683011     -9.55068206
  H     13.38309644     14.92060522    -11.35398918
  O     12.35636199     10.26225620     -8.42648344
  H     14.56285325     12.89843558     -9.49791647
  H     14.12202685      6.88389385    -11.61828495
  O     16.07605285     13.66106678    -10.33661522
  H     15.60068574     12.50247911    -17.65084896
  H     12.74537656      7.48631587    -11.26619455
  O     10.13386605     10.27519389    -10.00068044
  H     15.45351927     11.84168497    -16.26518468
  H     16.83090064     12.31185348    -11.49057404
  O     13.63081731     12.67565924    -13.45082421
  H     11.81113266      8.93797642    -13.61711568
  H     16.94455304     10.78237221    -11.60269196
  O     16.05874179      9.27274538    -10.87380021
  H     13.01960581      9.14305634    -14.56360574
  H     11.36023203     12.10932408    -15.33257326
  O     15.58292523      7.26136874    -12.79998094
  H     14.62479305      7.67506003     -8.07164951
  H     11.40143105     10.91168174    -14.37887299
  O     14.20112439     14.88241160    -11.86474625
  H     14.02419149      7.69998065     -9.49825185
  H     15.08173847     12.08479378    -14.23157549
  O     13.44007996      6.89963944    -10.93560725
  H     14.60558026     10.30972569    -11.34193013
  H     16.47975337     11.62867519    -13.76299597
  O     17.13612705     11.60460925    -12.07162789
  H     13.65494435     11.34473126    -10.68232792
  H     11.91719724     11.15642612    -17.23869342
  O     11.16452184     11.84787643    -14.42026626
  H     12.82883633     11.09969849     -8.53094440
  H     13.10677342     12.11046937    -17.05259707
  O     15.88621578     11.62935624    -14.52696734
  H     13.02461506      9.57140729     -8.50694928
  H     11.34657205     13.79853682    -10.85879019
  O     12.14576755     12.06117599    -16.98989473
  H     16.68961130     14.28504415     -9.95684080
  H     11.22318887     15.03111185     -9.93256863
  O     11.85406865     14.42536738    -10.31136077
  H     15.47719067     14.17138334    -10.91174976
  H     10.87526987      8.74288760    -17.54954610
  O     11.63238050      9.23941515    -17.24999784
  H     10.89169240     10.26949341     -9.38808276
  H     11.67222009      9.13336452    -16.28421869
          69
 Energy    -249.97363618378296     
  O     11.92559166     11.88452802    -11.82524037
  H     11.36784451     11.69335734    -12.58981584
  H     17.28867477     11.58800226    -14.62424866
  O     13.75443813      7.98229710    -15.18883030
  H     12.82200097     11.98753395    -12.16949082
  H     16.63805987      9.06920128    -14.10370369
  O     18.20348387      9.08485784    -10.91139849
  H     14.14929341      7.41730956    -15.86159040
  H     15.80732042      8.96216332    -12.80005041
  O     16.98757424      8.91898356    -17.00058298
  H     14.50007535      8.29356617    -14.64789253
  H     11.54268734     10.66845017    -10.63866529
  O     12.93459041     10.61215435    -15.20431830
  H     18.08524559      8.20714503    -10.52542768
  H     10.86129961     10.26073896     -9.30920452
  O     15.20119243      6.06819722    -10.26273012
  H     17.32416371      9.48195420    -10.95663042
  H     18.54742977      5.98731745    -11.79995458
  O     12.54152098      6.91604212    -12.93823563
  H     16.51139864      8.08369427    -16.97886571
  H     19.21657670      6.76148869    -12.94664884
  O     15.54169523      9.93267208    -11.30290395
  H     16.32315404      9.62470897    -17.04894955
  H     10.53321261      8.95804374    -11.58367272
  O     14.33925510      4.74376462    -12.65515841
  H     13.10237398      9.66144646    -15.27628781
  H     10.97212859      7.92355673    -12.64327011
  O     18.06623991     10.01297280    -14.78042401
  H     12.01928906     10.71850511    -14.91865266
  H     19.23363582      8.85055981    -12.28221034
  O     15.57562791      6.37540709    -16.64128351
  H     14.89278946      5.52416111    -10.99651441
  H     20.67597116      8.83202428    -12.84551553
  O     16.74356981     12.39385120    -14.60575520
  H     14.59973629      6.82309102    -10.22161180
  H     17.30080986      5.73321502    -13.65911585
  O     15.93783273      8.56613465    -13.66983880
  H     13.00526725      6.07874059    -12.81789177
  H     16.23264377      6.82437285    -13.85403720
  O     11.29454066      9.90830557    -10.08142760
  H     12.87011182      7.28375888    -13.77112153
  H     18.16509943      6.01185164     -9.24105704
  O     18.80956405      5.91432917    -12.72731440
  H     15.15224496     10.63515603    -11.84244144
  H     16.91213058      6.26713748    -10.10832838
  O     10.32695814      8.61976084    -12.46404998
  H     14.81532476      9.38856039    -10.96813721
  H     15.74189077     11.67245114    -16.15157082
  O     19.77167721      8.62062746    -13.06305835
  H     14.30255714      3.80149085    -12.79879988
  H     14.37885137     11.00811543    -16.37028166
  O     16.42399081      5.89130493    -14.03731942
  H     15.08780167      5.08059248    -13.17622911
  H     13.13931048      7.82277604    -11.44905059
  O     17.87662092      6.39307186    -10.06613873
  H     17.86442356      9.58096877    -15.62712456
  H     12.72655726      8.77578397    -10.29876088
  O     15.25862736     11.09883602    -16.75725925
  H     18.74571786      9.51458047    -14.31106703
  H     15.22916754     12.10111235    -13.54540850
  O     13.45365821      8.23535816    -10.63198301
  H     15.94615099      6.09034219    -15.78969766
  H     13.92774176     11.32517289    -13.83032915
  O     14.43871046     11.74366678    -13.12198152
  H     15.70809743      5.65622090    -17.25382502
  H      9.53076000     11.05658315    -14.35279623
  O     10.40021491     10.83981099    -14.02755122
  H     17.34211946     13.13156777    -14.68987422
  H     10.31518339     10.01054129    -13.52382996
          69
 Energy    -249.97324369558805     
  O     16.85822612     10.19143867    -11.34275197
  H     17.68481958      9.69810164    -11.25846728
  H     16.96544241      4.75845039    -12.26528848
  O     13.74206300      6.76628675     -6.38452510
  H     16.27086578      9.71198912    -11.94277886
  H     15.24121272      7.36370143     -8.99189135
  O     16.45284338     12.45833291     -9.82102395
  H     13.56923453      6.24834081     -5.60317983
  H     14.54096289      6.37258071     -8.03524809
  O     11.98542267      8.37795491     -7.99568146
  H     14.25465796      7.54289953     -6.09705529
  H     18.51160247      6.26854509    -12.51436985
  O     14.98964699      8.78647267    -12.80099051
  H     15.49510328     12.55997608     -9.78740799
  H     18.96698390      7.72512524    -12.25232807
  O     19.26807184      8.87405939    -10.81665781
  H     16.62185180     11.75362865    -10.46425622
  H     18.39223994     12.72404387     -7.35528707
  O     17.62782881      5.57301013     -9.18018640
  H     12.47488043      9.20525476     -7.88413884
  H     17.62354934     12.20585188     -8.59719984
  O     11.55067770      8.12785999    -10.64918174
  H     12.43799784      7.73645084     -7.43697347
  H     16.87479274      7.48700682    -15.53128639
  O     13.05318098     10.40974377    -11.51437392
  H     14.63234565      8.04775168    -12.28745572
  H     17.37174201      7.35358772    -14.07049369
  O     13.59749543     12.46618167     -9.83060054
  H     15.46637117      8.39792996    -13.54505870
  H     16.39248995      9.16139904     -8.38304481
  O     13.76733813     10.52057173     -7.79404939
  H     19.71069410      9.71059170    -10.61285861
  H     16.07266352      9.45636306     -9.87740753
  O     17.82514269      4.62278927    -11.82831981
  H     19.26262966      8.36794476     -9.99484412
  H     20.33955553     12.12561909    -10.49880241
  O     14.98927143      6.43118355     -8.88672435
  H     16.68973528      5.76519104     -9.04853427
  H     19.62956926     11.58020210     -9.25404641
  O     18.66789118      7.11969656    -12.94231602
  H     17.71007256      5.20028384    -10.06636164
  H     14.61188067      9.70841358     -6.27903694
  O     18.33948431     11.99564528     -7.96859003
  H     10.62038188      7.98571654    -10.80197192
  H     16.03126385      9.15183926     -6.04734233
  O     16.57506929      7.40597858    -14.63046799
  H     11.67139935      8.18332075     -9.68397947
  H     12.97737750      7.06579604    -11.21507541
  O     15.72824172      9.04427062     -9.07661704
  H     12.47162185      9.69704507    -11.22302686
  H     14.22210344      6.46549584    -10.52249005
  O     20.21880539     11.33182693     -9.98123175
  H     13.71135010      9.99023890    -12.08215068
  H     20.07079623      7.11066332     -8.00241565
  O     15.11072395      9.05177689     -5.77375187
  H     13.39812805     11.75323904    -10.46485154
  H     18.68141533      6.77140400     -8.59872281
  O     13.83229078      6.65272771    -11.38859064
  H     13.02140747     13.19345453    -10.04949445
  H     18.26499100      8.76477518     -7.42688209
  O     19.26687737      7.50428371     -8.33105721
  H     14.41087066      9.99227799     -8.29326325
  H     17.93984360     10.28973831     -7.32511755
  O     17.62626582      9.40696322     -7.08850928
  H     13.61952085     11.30827119     -8.32836163
  H     14.82597903      5.59975028    -12.56136812
  O     15.50838385      5.20055221    -13.11806877
  H     18.13110235      3.75872531    -12.09152536
  H     15.76688621      5.87729931    -13.75571435
          69
 Energy    -249.97212395802526     
  O     15.40190921     12.26865901    -11.16493745
  H     16.00790110     12.41453594    -11.89986548
  H     18.43693487      5.70941786    -14.84963476
  O     14.82966531      6.97298441    -14.62910802
  H     15.88510468     11.72246181    -10.53440556
  H     18.95753596      9.89933886    -12.10236829
  O     16.13650867      5.63297417    -10.83173432
  H     15.04112633      6.07286934    -14.35108511
  H     18.31908397     11.29888602    -12.28240279
  O     18.96616842      8.24082209    -12.97122989
  H     15.34030833      7.55425353    -14.04306309
  H     17.17177118      8.54617661    -12.97774115
  O     12.68877100     10.55660389    -14.43763651
  H     15.94395259      6.55801283    -10.61591370
  H     15.93226352      8.59099491    -12.04304011
  O     11.96857321      6.24786026    -10.20248915
  H     15.44068631      5.10800105    -10.41624240
  H     12.75214541     11.28078428    -12.59245381
  O     12.43467452      7.90427475    -13.68292645
  H     18.99736716      7.42160304    -12.45962421
  H     13.68901482     11.77347252    -11.46433019
  O     15.52783154      8.26229195    -10.31643216
  H     19.04150235      8.00141239    -13.90498814
  H     13.35817164      3.80867768    -11.63160970
  O     16.42029724      8.51060628    -16.35232269
  H     12.51562105      9.62928752    -14.20497039
  H     13.97788185      3.94457261    -13.02988816
  O     11.10509867      5.57096527    -12.86637110
  H     11.97318380     10.83082854    -15.00647629
  H     17.87161749      5.68540028    -11.27373531
  O     18.82036159      7.43267900    -15.64891381
  H     12.24142657      7.17030701    -10.29773656
  H     19.34899987      5.35493318    -10.96761410
  O     18.25089483      4.92694019    -14.31717766
  H     11.51896517      6.02618963    -11.02699626
  H     15.79411060      4.98592763    -12.56890231
  O     18.72863753     10.71225474    -11.63358772
  H     13.23938085      7.54341134    -14.08529149
  H     16.53144672      4.57624717    -13.86616724
  O     16.21397862      8.66706299    -12.96232561
  H     11.86783754      7.15133672    -13.47508217
  H     13.18768908      5.04611158     -9.88513347
  O     12.81716278     11.38688283    -11.63746616
  H     15.98152314      9.02404627     -9.93363799
  H     13.65781741      3.82899123     -9.05374834
  O     13.13902133      3.80053997    -12.57125807
  H     14.59222763      8.48043064    -10.44479155
  H     17.44972485     13.15570392    -13.91817148
  O     18.77995524      5.77755530    -11.60635178
  H     16.16141741      9.36754409    -15.99277351
  H     16.62373985     11.84992889    -13.95570037
  O     15.65786003      4.61366419    -13.45112757
  H     15.78749321      7.88059870    -15.97965810
  H     12.81901939      9.70533010    -11.07815523
  O     13.85776915      4.34006426     -9.83333293
  H     10.31366968      5.11707951    -13.14320070
  H     12.79662503      8.40924827    -11.91557994
  O     17.22728874     12.38025461    -13.40907277
  H     11.81540898      4.90434612    -12.83801128
  H     17.68349774     10.55911959    -10.25069453
  O     12.92746318      8.74430806    -11.01876706
  H     19.42110002      7.46798375    -16.38887199
  H     17.41410430     10.81287518     -8.74699250
  O     17.00925039     10.49577903     -9.54993754
  H     17.98421210      7.82913521    -15.94993104
  H     14.54093752     10.73486175    -14.68088141
  O     15.50389858     10.67395444    -14.68724604
  H     18.56841134      5.13186496    -13.42896722
  H     15.73664425     10.00049647    -14.02691182
          69
 Energy    -249.97210051328767     
  O     10.17366026      9.20249127    -11.72507445
  H     10.49433286      8.41401948    -11.25120257
  H     15.88290017     11.87043972    -14.08741326
  O     14.43290806      7.21837653    -15.51710334
  H      9.43858721      9.54633292    -11.22549465
  H     16.80153175      9.08558855    -14.68617716
  O     17.26009877     10.63583374    -10.64876167
  H     14.96148152      6.88996976    -16.25374069
  H     16.59233373      7.92689978    -13.64533660
  O     17.85298992     10.09704907    -15.84020614
  H     15.01386295      7.81906681    -15.02213700
  H     12.21649123      7.21725868    -10.64423312
  O     12.61130427      9.26876799    -15.30651070
  H     17.43656236     11.46513698    -10.21219102
  H     11.21734532      6.28651691    -11.34272385
  O     14.11460362      5.77363893    -13.19359673
  H     16.56272310     10.80694360    -11.30474816
  H     17.36524567      7.02041903    -10.19560439
  O     15.34795852     10.86641838    -12.56726565
  H     17.48043710     10.91738689    -15.48157920
  H     18.39274287      5.89547057     -9.90977029
  O     16.04448864      9.40080049    -17.78994819
  H     18.66423228      9.86134044    -15.37610140
  H     10.75421432      4.66471647    -13.33286181
  O     19.90028923      8.79090717    -14.46472945
  H     13.02098450      9.97227306    -15.82510394
  H     11.03078643      6.17540273    -13.51459681
  O     16.37098169      6.57031300    -17.43028607
  H     13.15874419      8.48339853    -15.45436587
  H     18.86009159      7.97705417    -11.43438670
  O     18.31325502      6.57107237    -15.51597088
  H     14.16857720      6.19721489    -14.06400919
  H     18.52193533      9.47927419    -11.48343070
  O     16.18811100     12.10759961    -14.97248801
  H     13.19987587      5.48038451    -13.09961786
  H     17.30489283      6.14083912    -12.24323753
  O     16.19336102      8.71733622    -14.03094442
  H     14.39134515     10.77184547    -12.47812764
  H     16.00724176      5.83236370    -13.05869433
  O     11.28396889      6.96081698    -10.65526594
  H     15.64486539     10.08479862    -13.06280525
  H     16.50177551      9.05019532     -9.89725230
  O     18.05325650      6.45874018    -10.59903023
  H     16.09466246      8.44003157    -17.82848690
  H     15.34934117      8.05308928    -10.17592150
  O     11.32672573      5.37240718    -13.04895694
  H     16.78309958      9.66973294    -17.22230755
  H     13.86835264     11.66946044    -17.50752322
  O     19.07545817      8.80046370    -11.88808431
  H     20.85254480      8.83809769    -14.47266640
  H     14.78633155     10.46242758    -17.21293841
  O     16.91980952      6.14046865    -13.12883384
  H     19.62868397      8.80352311    -13.52968769
  H     13.56250163      8.58254117    -11.72971280
  O     16.18545096      8.16051309     -9.70015710
  H     17.10914127      6.56993839    -16.79460601
  H     14.03700668      7.11650498    -11.91996075
  O     14.15700392     11.08728324    -16.80873796
  H     16.55764112      5.88473200    -18.06565413
  H     11.83696265      9.89557684    -12.26292298
  O     13.90688201      7.81132575    -11.26069416
  H     18.91513486      7.27867878    -15.26066764
  H     12.69095036      9.78244166    -13.55281350
  O     12.72927715     10.00707080    -12.61158044
  H     17.89469450      6.27096754    -14.69655570
  H     10.25508415      8.27680507    -13.41488393
  O     10.51775586      7.72722933    -14.16391309
  H     15.46356403     11.87344890    -15.56600443
  H     11.12138922      8.26872434    -14.68809509
          69
 Energy    -249.97135665363015     
  O     11.07093267      9.00632574     -8.38571689
  H     10.97858728      9.72297593     -9.03565340
  H     17.00578103      9.17988004    -11.07006410
  O     13.65608801      9.27230001    -16.64109540
  H     10.30598510      9.05639094     -7.81761071
  H     16.92397789      7.04457064    -12.60424718
  O     11.63156932      7.24177868    -10.63624302
  H     14.01086051      9.27304029    -17.52601350
  H     15.77039789      8.01146435    -12.95296605
  O     14.49425270      8.60897845    -14.06126825
  H     13.19645913     10.12358946    -16.52434400
  H     12.93245129     15.64251922    -11.72997819
  O     12.21357542     11.54626836    -16.25476376
  H     12.59381759      7.24112477    -10.52786040
  H     12.73204461     14.29573406    -10.99949449
  O     11.92206076      8.45422650    -13.08421144
  H     11.29728474      7.71095701     -9.86407230
  H     15.06985187      7.60790622    -10.93009656
  O     13.88164621      8.62340764     -7.74089602
  H     14.33074114      8.75604618    -15.00190024
  H     14.12870215      8.75123846    -10.48141419
  O     13.78346269     10.50622725    -10.74970477
  H     13.62385852      8.49996427    -13.64577966
  H     18.19040490     12.23842636    -12.60358679
  O     15.73676465     13.90452209    -10.75452133
  H     11.29106204     11.27389111    -16.17365466
  H     17.36063138     11.34106212    -11.65097019
  O     11.08638064     10.90776526    -10.36778527
  H     12.38620002     12.11604762    -15.49393275
  H     10.13469057     10.82345406    -13.91992123
  O     12.64694524     12.78309830    -13.75559811
  H     11.50070892      9.32154296    -13.03303806
  H     11.29424976     11.64482514    -13.30130796
  O     17.28773084      9.97450782    -10.60202592
  H     11.72804388      7.98524235    -12.26040023
  H     15.11863857     12.92758287     -9.40113536
  O     16.39495068      7.75679580    -12.25316195
  H     12.93745821      8.80691400     -7.80131425
  H     15.21234323     11.72564572     -8.39694856
  O     13.13859880     14.71252610    -11.78073471
  H     14.09419733      8.14042670     -8.55336101
  H     15.73527740     11.50562381    -13.04375137
  O     14.33877691      7.81313064    -10.33975204
  H     14.14087950     10.80397583    -11.59483647
  H     14.82818777     10.34121757    -13.59224670
  O     17.30280271     12.06216515    -12.30473135
  H     14.08539112     11.12778389    -10.07314779
  H     10.08539141      9.52464476    -15.76563613
  O     10.62681719     10.97119565    -13.10365962
  H     14.96162308     14.20387962    -11.24502895
  H      8.80510278     10.31270538    -16.13496492
  O     14.60567905     12.34537499     -8.81740456
  H     16.27801711     13.38413434    -11.35950962
  H     15.32259128      9.61455391     -7.79970069
  O     14.82765451     11.23991450    -13.23846043
  H     12.02862555     10.72631295    -10.51798075
  H     16.67471601     10.02402384     -7.17412334
  O      9.64544991     10.39071171    -15.69226429
  H     10.68985779     10.94532956    -11.24699104
  H     11.61341314     12.64940227     -9.79796949
  O     16.12740089     10.14297405     -7.94623251
  H     12.73432693     13.53884599    -13.16277043
  H     12.92805221     13.11600268     -9.14129029
  O     12.13880932     13.43479684     -9.60147394
  H     13.44916174     12.25355455    -13.62532082
  H     11.97795838      8.34983099    -16.17811710
  O     11.14446440      8.12089585    -15.75090940
  H     16.88450682      9.95526396     -9.72611975
  H     11.35245144      8.04588968    -14.80805155
          69
 Energy    -249.97043775203440     
  O     17.49271402      8.90724600    -14.72681274
  H     17.03651679      8.95515404    -13.87180764
  H     11.83698631     11.92182022    -11.90453072
  O     14.06420299      8.37997454     -9.22656807
  H     17.30067460      9.75293249    -15.15292546
  H     18.35239381      4.10680623    -11.85848029
  O     16.57899465     11.44339543    -15.24575079
  H     14.75352292      7.85886472     -9.67155530
  H     19.51268160      3.66547884    -10.93497957
  O     12.20649425      8.44231106    -11.40795687
  H     13.92765162      7.98097516     -8.37082008
  H     15.59293399      6.44844932    -11.40291644
  O     16.05368014      6.63774403    -15.30080827
  H     15.68259995     11.23051659    -14.95339287
  H     16.89187517      7.01815005    -10.74296334
  O     19.73037299      8.03047370    -13.43538974
  H     17.03180261     11.83272064    -14.48773840
  H     19.32047227      5.05149698    -14.58388962
  O     20.06382812     10.55390165    -12.30630790
  H     12.76033542      8.39622363    -10.61991937
  H     19.87060007      4.96207130    -13.14855317
  O     18.70509650      7.14415969    -11.00759772
  H     12.19570231      9.36982224    -11.67378061
  H     17.11509645      5.23628353    -15.50917058
  O     12.33469316      6.43502802    -13.20088219
  H     15.17187026      6.99595633    -15.48406584
  H     17.70582698      4.09140722    -16.36143386
  O     13.60540275      7.83792153    -15.37591149
  H     16.63647545      7.40310570    -15.19793765
  H     15.90528203      8.44806664    -11.85133286
  O     14.15877591     10.33922970    -14.12368849
  H     19.01078138      8.33680604    -14.00710561
  H     16.32382207      9.94059499    -11.84551093
  O     12.46627514     11.21637719    -12.02762186
  H     19.97007128      7.13921542    -13.72555209
  H     18.89972039     11.75522143    -12.84446240
  O     19.15135029      4.41794725    -11.39548086
  H     19.88423241     10.32028688    -11.38891988
  H     18.58876274     13.23997366    -13.14058103
  O     15.92686379      7.01674911    -10.69234105
  H     20.10750517      9.71083401    -12.77923740
  H     17.33451611     11.77861445    -11.46071389
  O     20.03243409      5.36245267    -14.01071937
  H     19.01876106      7.48761455    -11.85809031
  H     17.65405445     10.76139414    -10.32148584
  O     17.72844125      4.48169660    -15.49144484
  H     18.91480499      6.20107338    -11.00490522
  H     14.04811049      5.80554624    -12.95807091
  O     16.04046901      9.21543922    -12.41693396
  H     12.24847757      7.15816513    -12.55389237
  H     15.40194706      6.01225134    -13.68149808
  O     18.17710407     12.39287721    -12.98701572
  H     11.48782498      5.99938836    -13.24276342
  H     19.49016975      9.52468012     -8.93960324
  O     16.94295626     11.26038124    -10.74389489
  H     13.06368732      7.39413719    -14.71287864
  H     18.92584778      8.69751146    -10.11538037
  O     14.99819725      5.65164031    -12.87932351
  H     13.72058672      8.74535459    -15.06339111
  H     15.18326987     11.30729542    -10.16767540
  O     19.02974324      9.60008982     -9.77198219
  H     14.77753847      9.89073055    -13.52754125
  H     14.20812907     10.24506465     -9.61967886
  O     14.24997278     11.13880255     -9.98196256
  H     13.50061574     10.74277320    -13.54608540
  H     17.25717850      3.77904550    -13.78782931
  O     16.99905761      3.68154435    -12.86194593
  H     13.10477826     11.27852106    -11.29428096
  H     16.20369216      4.22104509    -12.76413491
          69
 Energy    -249.97041635010373     
  O     19.79059511     11.08050729    -10.69265188
  H     20.73762679     11.26977323    -10.68608548
  H     18.72693254     11.20294711    -12.16513621
  O     18.47154435      6.62749871     -9.72437524
  H     19.53859375     10.87906663     -9.78210285
  H     22.45087499     10.47520606     -9.86959055
  O     19.41364319      3.67249168    -11.81140566
  H     18.97975846      7.19551901    -10.32673987
  H     23.24167400     11.76879276    -10.18073111
  O     20.99348967      5.50267351    -13.36595451
  H     17.92413254      6.04858171    -10.27135101
  H     19.33207850      7.82751793    -13.08136499
  O     21.94307640      9.26263042     -8.71273599
  H     18.53191701      4.06590890    -11.70853440
  H     19.51893179      8.38548775    -14.49495884
  O     17.00768973      5.00727262    -11.46032090
  H     19.27662793      2.76252305    -12.06463303
  H     20.37213312      4.33549589    -10.23591382
  O     22.42089483      7.36662394    -11.96214307
  H     20.36141460      6.11512282    -13.76581797
  H     19.86124160      5.47100951     -9.35229154
  O     14.38736995      7.75278592     -9.22777832
  H     20.47224909      4.84782848    -12.88742047
  H     14.75925631      6.68099755    -13.13909776
  O     22.70987343      6.56329433     -9.26731016
  H     21.01566729      9.33342376     -8.46177847
  H     13.62239896      7.46214051    -12.45608978
  O     19.84398890      8.29427816    -11.39008515
  H     22.14293967      8.32598652     -8.83099047
  H     16.62408804      9.27290380    -10.83522231
  O     19.15957301     10.08994408     -8.14471023
  H     16.90203013      5.68651620    -12.14404170
  H     16.93302300     10.00799100    -12.19268115
  O     18.17851057     10.99872657    -12.93667167
  H     16.14125474      4.89679379    -11.04972675
  H     16.50293919      7.87618553    -12.71303266
  O     22.58455541     11.17548638    -10.53398357
  H     22.66847840      7.04456320    -11.08809690
  H     17.45103391      7.19224548    -13.72070813
  O     19.20768062      7.60709897    -14.01799147
  H     22.04107140      6.62659004    -12.46221118
  H     22.51818907      8.99261279    -12.81245294
  O     20.61324461      4.87409043     -9.47424744
  H     14.39486356      6.83483117     -9.52346738
  H     22.52058250     10.43848498    -12.30408462
  O     13.88022753      6.57850341    -12.74954128
  H     13.96529094      8.25034937     -9.93931928
  H     16.01881213      8.47486904     -8.94581621
  O     16.32030141      9.40792314    -11.74104065
  H     23.43188556      6.14461880     -8.80598593
  H     17.46190218      7.95733355     -9.17724997
  O     16.61940136      7.07422767    -13.24354844
  H     21.98904583      5.91003056     -9.31026025
  H     13.14010759      9.98082155    -11.79432918
  O     22.36369962      9.90630929    -13.09212580
  H     20.76563662      8.03403500    -11.52742855
  H     14.55185922      9.35610634    -11.70845429
  O     16.93947108      8.76119742     -9.02835171
  H     19.82972690      9.24430781    -11.22922368
  H     21.01063952     10.07311078    -14.19348377
  O     13.60205679      9.16784882    -11.60807887
  H     19.00745881     10.50452355     -7.29875885
  H     20.51227206     10.53865323    -15.57972248
  O     20.22907419     10.11634923    -14.77324498
  H     18.32650627      9.65229776     -8.38888278
  H     14.11342120      5.58778114    -11.32532184
  O     14.37093146      5.13335425    -10.50218332
  H     18.79459781     10.74502876    -13.63310534
  H     13.69053558      4.49110564    -10.31763644
          69
 Energy    -249.96923037166789     
  O     16.90808941      9.98836621    -15.54759576
  H     16.72456802     10.91123202    -15.76612373
  H     13.79329098     10.54594194    -10.78959089
  O     13.24740639      7.39431024    -10.86315930
  H     17.74717172      9.94650308    -15.06537467
  H     20.09760534      6.44944443    -13.86304269
  O     16.22370068     12.65944033    -15.95688001
  H     13.10062409      8.35629782    -10.85476813
  H     20.78247491      5.51527401    -12.83593189
  O     15.50646763      7.71513819    -16.18701643
  H     12.83799484      7.04689078    -10.07518171
  H     15.01628465      7.25592337    -11.42309825
  O     19.09832566      9.72339819    -13.92246187
  H     15.37591774     12.73928121    -15.48156036
  H     15.73215387      6.64408684    -12.66209636
  O     19.57193432     12.08674761    -12.51173986
  H     16.15290039     13.19717343    -16.74093771
  H     19.84403214      8.34138638    -14.93104452
  O     18.49486010      8.01270211    -11.80167336
  H     15.97932713      8.54430617    -16.01554200
  H     19.38062000      7.22140711    -15.89748507
  O     12.78381176      6.46460733    -13.55208348
  H     14.56349189      7.91160640    -16.13130133
  H     15.28623576     12.87011611    -11.52880056
  O     13.99413675     12.87079682    -14.46099060
  H     18.84326773      9.13748603    -13.19416223
  H     14.83366024     14.33596675    -11.32943750
  O     12.72376966      8.16053966    -15.65983325
  H     19.37101771     10.55508249    -13.51620838
  H     17.03933273      6.86580470    -16.72466328
  O     12.92259533     10.35701177    -13.82455572
  H     20.31930732     12.66496066    -12.38572120
  H     17.93499411      6.20431735    -17.78978078
  O     12.96116039     10.09406769    -10.98029624
  H     18.84941012     12.63366234    -12.86903864
  H     15.64165454      8.82239908    -12.80446085
  O     19.94959130      5.92506879    -13.05507655
  H     17.57845076      7.70557750    -11.74559179
  H     16.03044998      9.79622876    -13.97449042
  O     15.84473074      7.25427296    -11.91840253
  H     19.02311515      7.25529688    -12.08259912
  H     16.74546695     13.67379092    -12.98595431
  O     20.08168259      7.47302713    -15.28419534
  H     12.82742993      6.76387175    -12.63650491
  H     17.16837305     13.26532327    -14.40993903
  O     15.13947814     13.71621295    -11.98634147
  H     13.61942114      6.00792021    -13.72447350
  H     16.46829606     11.06519755    -10.57515694
  O     17.90278155      6.44799050    -16.86720065
  H     14.26231296     13.22359132    -13.60331970
  H     15.56184611     10.75212040    -11.77035497
  O     15.49032110      9.69833220    -13.18246429
  H     13.49039911     12.06559550    -14.28261998
  H     15.44940064      6.40229376    -14.86146968
  O     17.51539332     13.49887746    -13.54118185
  H     12.67031441      7.54959650    -14.90176523
  H     16.21631280      5.19777363    -14.25661336
  O     15.59023405     11.24821133    -10.93711889
  H     11.99908780      7.93851040    -16.23908824
  H     18.37573700      9.64860987    -10.76164218
  O     15.41461430      5.73249732    -14.16532433
  H     12.67043084      9.71809673    -14.49929425
  H     18.72772058     11.11303161    -11.06437900
  O     18.21944140     10.55372023    -10.46426969
  H     13.83367523     10.11648603    -13.58644640
  H     17.99453270      5.13725035    -15.42139124
  O     17.88053254      4.64165576    -14.60063332
  H     12.75079954     10.28279488    -11.90462921
  H     18.56373178      4.96448825    -14.00068908
          69
 Energy    -249.96857899322288     
  O     11.60129248     10.65778276    -15.16569335
  H     11.21448700     11.47226753    -14.81601960
  H     15.99599353      7.73865475    -14.39678723
  O     12.71682776      7.85967396    -11.58345312
  H     12.51719691     10.65736331    -14.84782388
  H     19.30698694      9.03203069    -15.36199237
  O     16.29095771     12.26263516    -14.55428193
  H     12.28880836      7.22131830    -11.01868918
  H     18.91267060     10.20056441    -14.43657950
  O     12.19726004     10.52377173    -17.83386209
  H     13.67090288      7.66361142    -11.55260637
  H     15.19015060     10.45429107    -10.87291301
  O     14.16264818     10.53344373    -14.16912714
  H     16.80206501     11.68804111    -13.96912295
  H     16.23568376     10.68657689     -9.75843447
  O     14.59557997     14.01516734    -13.33137263
  H     15.82405862     12.93644342    -14.03640644
  H     16.26500300     12.03279443    -16.29193403
  O     15.41981532      7.58021843    -11.43299638
  H     11.42682991     10.32983888    -18.36145142
  H     17.09615063     11.61385439    -17.52784015
  O     12.92992265     14.65485295    -15.54047896
  H     11.90361076     10.54675724    -16.90685910
  H     11.59537638     13.68735283    -14.60120302
  O     17.45012977      8.37335198    -17.94993805
  H     14.86983012     11.15223312    -14.38553181
  H     11.42004262     13.13045054    -13.18155643
  O     13.49585429     10.54512606    -11.54256131
  H     14.39029790      9.66765380    -14.53188146
  H     11.62991379      8.80675978    -14.60058047
  O     18.73958985      7.26015972    -15.83095404
  H     13.94846453     13.77899128    -12.65776457
  H     12.12483025      7.91174381    -13.43622945
  O     16.80222369      7.69716173    -13.85807459
  H     14.07580926     14.30933977    -14.09219014
  H     13.12406809     12.20830116    -17.73153629
  O     19.39566619      9.98674523    -15.24346786
  H     15.76357307      8.37877692    -11.01690679
  H     14.58309849     12.67342124    -17.54104447
  O     16.10678367     10.27356897    -10.60876992
  H     15.94082191      7.46568518    -12.23984351
  H     17.28031134      9.39710749    -13.36288755
  O     16.19973288     11.81435244    -17.23490578
  H     13.19363219     14.06608171    -16.26960693
  H     17.20588096     10.35999014    -12.16452942
  O     11.03467544     13.11062652    -14.06548172
  H     12.79611613     15.51765560    -15.92407619
  H     13.89821162      9.70605696    -17.87114187
  O     11.97316267      7.92879287    -14.38923206
  H     17.91878077      9.21343259    -18.03917675
  H     15.29447072     10.25742355    -17.50976595
  O     13.66649339     12.98008708    -17.53382952
  H     16.51048675      8.58856852    -17.98630157
  H     12.17843502     13.39308439    -10.71602450
  O     17.55351438     10.27619503    -13.05979555
  H     13.74767902     10.58429310    -12.48060988
  H     12.78777699     12.18572223    -11.46459328
  O     14.80655238      9.43870830    -17.68579790
  H     13.08461197      9.68070844    -11.41940941
  H     19.57574777     11.25276549    -18.15574933
  O     12.49665230     13.10627381    -11.56844159
  H     19.26067027      6.51506677    -16.11710286
  H     19.04955321     10.65242484    -16.83002119
  O     18.79747743     10.89207958    -17.74005903
  H     18.24584766      7.57432283    -16.60999201
  H     13.62334549      7.85054770    -15.10505837
  O     14.55000324      8.02988104    -15.32297062
  H     17.50973790      7.41503487    -14.44915716
  H     14.60199284      8.41650145    -16.20770850
          69
 Energy    -249.96847783550146     
  O     12.81382030     11.30901464    -13.89709384
  H     13.54243076     11.16243843    -13.27884956
  H     14.51091146      5.69226109    -16.90638227
  O     12.77462739      5.79663323    -17.34822998
  H     12.02910790     10.98715425    -13.44054636
  H     14.34504065      8.09875745    -14.24805275
  O     13.93267998      5.79011940    -12.02773513
  H     12.31815654      6.64505105    -17.29550107
  H     14.02922111      8.87283229    -12.94852390
  O     16.64752164      6.01665689    -11.62950952
  H     12.37137913      5.21869391    -16.69007400
  H     13.25436135     10.53905286    -15.51724128
  O     12.08833195      3.87915146    -15.26738292
  H     13.12078460      5.68812402    -11.52010310
  H     14.29082762      9.56205326    -16.14244031
  O     10.60028677      9.93643324    -12.54883379
  H     13.85871059      6.62767382    -12.51328631
  H     11.02030308      5.61391124    -11.77346347
  O     11.53310029      8.36718259    -17.11589307
  H     15.68666338      5.90725065    -11.67593155
  H     10.89022766      5.19365128    -10.28829493
  O     16.85386148      8.26536222    -10.08369344
  H     16.81028594      6.71261400    -10.97646063
  H     11.44846790      9.04173985    -11.10812587
  O     11.17575378      7.99607373    -14.38255278
  H     11.91630290      2.99906822    -15.59544957
  H     11.68097802      7.60869654    -10.56330202
  O     17.26491055      3.83409099    -13.19159483
  H     12.98005664      3.86031075    -14.88361724
  H     14.29377236      4.67071364    -13.37386246
  O     18.01146298      5.52970414    -15.42326894
  H      9.69958032     10.25053754    -12.57331029
  H     15.48053884      3.81481752    -13.86418359
  O     15.33434688      5.63253839    -16.39923622
  H     10.67702139      9.25334367    -13.23676335
  H     11.01757826      4.85488277    -14.04766776
  O     13.78807087      8.08879718    -13.45784106
  H     11.04125913      8.73984145    -17.84219729
  H     10.67755016      6.33864004    -13.80419843
  O     13.46860649     10.03655153    -16.31656491
  H     12.24118756      9.00310725    -16.89930078
  H     14.12726449      9.91082089     -8.70727456
  O     11.37548730      5.76386508    -10.87804480
  H     17.19938684      8.92589341    -10.69603056
  H     13.43846234      9.06481514     -9.80126235
  O     11.92727799      8.53321065    -10.44228554
  H     15.98666693      8.58992520     -9.80951169
  H     15.47331733      7.38953873    -15.97441255
  O     14.59493321      4.11059912    -14.10568354
  H     12.09878196      8.03393408    -14.08682094
  H     16.30844644      8.20607251    -14.96630326
  O     10.57784867      5.45143274    -13.43065713
  H     11.18036181      8.12395733    -15.33935216
  H     14.60870644     10.16151137    -11.19231716
  O     14.29384797      9.43377167     -9.51628470
  H     17.79916988      3.18086439    -12.74679783
  H     15.73624247     10.32612959    -12.24282850
  O     15.55172327      8.26250441    -15.56285937
  H     17.14601380      4.56951779    -12.56605611
  H     17.68542198      9.20244516    -12.87730831
  O     14.77899506     10.35797407    -12.12254002
  H     17.20758610      5.53077153    -15.96016399
  H     18.30493014     10.56464490    -12.49025981
  O     17.57355639      9.98103453    -12.30548184
  H     17.87942070      4.84249920    -14.75874429
  H     17.91982808      7.01227595    -14.38377806
  O     17.60569945      7.65315779    -13.72948009
  H     15.11229309      5.12760780    -15.60625270
  H     17.23370503      7.12693371    -13.00838620
          69
 Energy    -249.96713552548096     
  O     11.99112904      9.42590031    -16.29428463
  H     12.44851353      8.60248108    -16.51695693
  H     16.26109775      5.05079652    -14.70353203
  O     15.50253921      6.60967551    -12.31148051
  H     12.62174583     10.13647616    -16.45720150
  H     19.35891884      8.37555685    -13.05502133
  O     16.39402767     11.06111316    -11.77308896
  H     15.31494462      7.20828300    -13.05217076
  H     19.25273835      9.81903258    -12.53770096
  O     18.17052168     10.08645342    -15.58255534
  H     15.64636392      5.74521055    -12.71595863
  H     15.46188949     10.30880516    -17.24545051
  O     13.00707483      4.92249596    -14.96390979
  H     16.60281533     10.15335604    -11.51129709
  H     16.89778633      9.89219684    -16.84217948
  O     14.13561776     11.29958336    -10.22955173
  H     15.65756698     11.33849622    -11.20934675
  H     15.00859317      9.09521099    -14.37316484
  O     13.31726369      7.55771134    -10.96059913
  H     18.33029493     10.68164418    -14.84145481
  H     14.45878827      7.88585244    -15.18817560
  O     14.59405941     10.81740817    -13.87951797
  H     18.65712556      9.28055515    -15.37359655
  H     11.07946424      9.19287407    -14.85367365
  O     17.03590762      6.54304670    -15.68741985
  H     12.57271204      5.47108395    -14.28570150
  H      9.70164257      9.19563531    -14.14748385
  O     14.96125815      8.82908709     -9.00074494
  H     12.45170603      4.15720626    -15.09028351
  H     16.52657908      7.73898714    -11.35466045
  O     19.39543334      7.59690486    -14.78195647
  H     13.45293910     10.99865011    -10.84333981
  H     17.85439978      8.54031463    -11.23565326
  O     15.73152816      4.52257612    -14.09252792
  H     14.33461834     10.53900036     -9.66832444
  H     11.33196146      7.33148579    -13.46667473
  O     19.28179863      8.89948320    -12.24753319
  H     14.05698945      7.12144616    -11.41209828
  H     12.19027439      6.78408442    -12.30977682
  O     16.18954643      9.72442778    -17.48242004
  H     13.69313796      7.92031423    -10.15041478
  H     17.86639696     11.51053699    -12.64942475
  O     15.09984632      8.14670836    -14.51463549
  H     13.82554499     10.55737918    -13.34995415
  H     19.08202675     12.40765271    -12.97321272
  O     10.62788555      9.01904294    -14.00785685
  H     15.30809346     10.98702274    -13.25285258
  H     15.99005237      8.10603911    -17.97123930
  O     16.96048769      8.45719109    -10.87193405
  H     16.77626371      6.59801847    -16.61502481
  H     16.02739995      7.03832498    -19.09478150
  O     11.79351142      6.54322313    -13.15543792
  H     16.45851160      7.17092947    -15.22555117
  H     12.83109778      9.12582498    -11.79426970
  O     18.68117918     11.56656704    -13.17702036
  H     15.23475444      8.61996210     -8.11109032
  H     11.80655712      9.74529105    -12.77256993
  O     15.85762027      7.15738601    -18.16505930
  H     15.74030143      8.69891849     -9.56817673
  H     14.27985889     11.27656447    -15.54995649
  O     12.56366773      9.95680135    -12.21259220
  H     18.60723546      7.12346607    -15.09559716
  H     14.00460825     12.31862242    -16.65881292
  O     14.06317838     11.38096616    -16.49278361
  H     20.15063028      7.13971297    -15.14376152
  H     14.25109873      7.02235303    -17.21433035
  O     13.51300411      7.13189049    -16.60130101
  H     14.82266104      4.57940002    -14.41443285
  H     13.34409126      6.28721692    -16.16315105
          69
 Energy    -249.96679715013494     
  O     11.74122695      9.23171023    -14.21249150
  H     12.13185629      8.88521668    -15.02597227
  H     16.34701491      5.91175494    -15.68464131
  O     16.76338674      6.35371130    -13.95219548
  H     12.13841460     10.09777800    -14.06599290
  H     18.80725021     10.57884812    -14.61755822
  O     17.21988912     10.10352656    -11.38726491
  H     17.47849912      6.90065916    -13.59870275
  H     20.08195404     10.16718270    -15.38966658
  O     15.46730928     11.14829998    -15.07610961
  H     16.25686104      6.01130111    -13.20247977
  H     15.68640193      7.79631359    -14.16588298
  O     13.19839504      5.20853725    -16.10688787
  H     17.40471238      9.83188315    -10.47993132
  H     14.38597632      8.30602094    -14.84866804
  O     15.63354707      7.25055950     -8.61688069
  H     16.25910019     10.09651398    -11.49810431
  H     10.49947904      7.27581634    -12.08606967
  O     15.18576248      5.58116075    -11.79990800
  H     15.97197736     11.07621997    -15.89858745
  H     11.52747296      8.02648236    -12.96219213
  O     14.50448662      9.92101124    -11.93733197
  H     15.40515188     10.23784176    -14.75018089
  H     18.91313938      7.23671644    -11.33543443
  O     15.53769260      8.10300886    -17.94857757
  H     12.67544925      4.50680316    -16.48430563
  H     18.62152471      7.62160622     -9.87111072
  O     17.00850919      5.00367427     -9.76974242
  H     13.09839708      5.14447956    -15.13948034
  H     13.72633622      5.16484570    -12.88261403
  O     17.10225204     10.33745312    -17.10510406
  H     16.01541611      6.40397020     -8.88033467
  H     12.36113397      5.86479767    -13.05722439
  O     15.95717462      5.81582508    -16.56482519
  H     14.85931903      7.38494995     -9.17902849
  H     17.71261055     11.28220551    -12.75759391
  O     19.21479550      9.86047786    -15.13527548
  H     14.70895482      6.32236336    -11.40052307
  H     17.00729064     11.66634277    -14.07452317
  O     15.06827031      8.53536125    -14.20573111
  H     15.78281291      5.24006564    -11.12246651
  H     18.89497566      8.64929190    -13.72015681
  O     11.42898448      7.32497496    -12.29425508
  H     13.98506164     10.65023474    -12.29185568
  H     18.07236035      8.84489009    -12.42423058
  O     18.85154213      6.87722615    -10.44138267
  H     14.67637083      9.33707459    -12.69612409
  H     17.95407795      9.34027904     -8.01561497
  O     12.93582213      5.18911474    -13.43710072
  H     15.77604362      7.27861159    -17.48711002
  H     16.92752365      8.41713617     -8.71616088
  O     17.86271459     11.68000323    -13.62562671
  H     15.56555462      7.91126242    -18.88285399
  H     13.97216099      8.51281724    -10.95669983
  O     18.56478355      8.18866218    -12.93917147
  H     17.72408224      5.60938678    -10.03565083
  H     12.83558332      7.48329999    -11.05417535
  O     17.70209658      8.98874852     -8.86510546
  H     17.42395209      4.22793422     -9.40381198
  H     13.95882036     11.63043591    -14.26663516
  O     13.68400348      7.64979816    -10.62536904
  H     17.83900159     10.03820464    -16.55927081
  H     12.87121853     12.60458152    -13.75956696
  O     13.16676898     11.69962331    -13.70525149
  H     16.63478524      9.54624721    -17.40305578
  H     13.12111900      7.05282848    -16.26526856
  O     13.23840910      8.01312312    -16.27045424
  H     15.06717402      5.46861632    -16.42679622
  H     13.92361314      8.19802689    -16.92557199
          69
 Energy    -249.96653774522321     
  O      1.50569993      1.17917593      4.70140189
  H      2.09083925      1.42209847      5.41488121
  H     -6.09460302     -0.51509160      5.44065717
  O      1.06527618     -0.87695380     -2.75546021
  H      0.84950881      0.56561691      5.07936640
  H     -1.94695225      1.60670578      1.36265211
  O     -0.38917248     -0.46671293      5.70623119
  H      1.07006711     -1.76599178     -2.37866347
  H     -1.32225410      2.86987105      0.71994955
  O     -0.65545957      0.37514370     -0.89418309
  H      0.33682294     -0.41421964     -2.31969383
  H     -2.90205766      1.75910316      5.06940812
  O      1.20680018     -3.26414970     -1.16361407
  H     -0.56891921     -1.38291105      5.46859422
  H     -3.67322578      0.40371185      5.21036597
  O      3.10462431     -1.80592003      0.16106679
  H     -1.24301154     -0.01133215      5.67184080
  H      0.70565727      4.47624886      0.55875270
  O     -4.37030087      2.72944251      2.15945693
  H      0.17481667      0.68180385     -0.50457446
  H      0.91222891      2.94988007      0.70152338
  O     -3.66227958     -2.62762342      3.95215477
  H     -1.32294340      0.99389778     -0.57245442
  H     -2.14105248      0.48622556      3.49321964
  O     -0.20089405      3.30571043      3.76344257
  H      1.54459204     -4.13316726     -1.36326373
  H     -1.11324321     -0.33436984      2.65633812
  O      3.30549258      0.30648269     -1.78232979
  H      1.88833345     -2.81333958     -0.63408996
  H     -1.06223949     -1.32339972     -0.36374997
  O     -5.56235327      0.23395283      2.41764661
  H      3.34849528     -1.11944674     -0.47219705
  H     -0.45903827     -2.74019857     -0.47268892
  O     -5.26140316     -0.49310697      4.97931933
  H      2.93020148     -1.34758164      0.99234750
  H      1.40399528     -0.86822852      2.38307269
  O     -2.04936131      2.24240573      0.63409963
  H     -3.92184760      3.05148519      2.94978161
  H      2.07656541      0.27991890      3.16146352
  O     -2.79584328      0.80750372      5.19927560
  H     -3.68246245      2.67327909      1.48320422
  H     -2.93604108      4.31883890      4.95401414
  O      0.37521381      3.70112727      1.00574054
  H     -4.24710909     -2.00871048      4.40447295
  H     -1.87158015      3.46674509      4.22389218
  O     -1.81079834      0.32997253      2.59989540
  H     -3.69117474     -2.38118496      3.01771556
  H      2.34419989      1.19456057     -0.46705529
  O     -1.17184484     -2.23745170     -0.05931899
  H      0.03932113      3.48659152      2.84668567
  H      1.88540806      0.88698819      0.99058305
  O      2.14211384     -0.23816349      2.35038049
  H      0.37630737      2.59351775      4.06259349
  H     -2.05693582     -2.94110340      4.47870824
  O     -2.81021722      3.49924084      4.48330276
  H      2.54413993     -0.09370819     -2.24065180
  H     -1.04139585     -3.91829903      5.11936842
  O      1.71915938      1.45249603      0.22148895
  H      3.94440642      0.53450881     -2.45152311
  H     -0.36903375     -2.38514309      3.17394777
  O     -1.11625821     -3.06441470      4.70285895
  H     -5.05031510     -0.36057062      1.85767843
  H     -0.46242510     -2.11079970      1.62492901
  O     -0.03453918     -1.84232941      2.44913009
  H     -5.21541115      1.12806430      2.27667560
  H     -3.00642314     -0.79957712      1.79486055
  O     -3.52821958     -1.49829799      1.37015981
  H     -5.45191886     -0.21523057      4.06321608
  H     -2.92314799     -1.92200334      0.75150234
          69
 Energy    -249.96653567125958     
  O     11.92019537      2.52890263    -12.60792151
  H     11.37968093      1.75168333    -12.73651185
  H     17.47008017      6.94944731    -12.20662272
  O     17.83071151      4.83917205    -10.26492078
  H     11.66934685      2.89692628    -11.74694805
  H     12.68695800      8.85141933    -14.54128140
  O     14.17767841      8.39029359    -11.23027548
  H     17.28708606      4.04468335    -10.31737055
  H     12.03643844      7.79071149    -15.45230356
  O     17.35339529      7.01509143     -8.72705160
  H     17.93619192      5.16682654    -11.16791688
  H     14.33702830      5.41111891    -12.52812230
  O     13.94205284      4.14678967     -9.55034608
  H     13.63202803      8.53196323    -10.44913789
  H     13.82152849      5.20899483    -11.07195456
  O     16.10809496      2.56579987    -10.36867676
  H     14.07648107      7.45107239    -11.45116584
  H     13.82248431      2.41339794    -12.71143613
  O     14.43159349      9.15361551    -13.89626326
  H     18.02865655      7.10431241     -8.05960439
  H     15.06773004      3.18087677    -13.21814060
  O     15.07750209      6.97445448    -15.50815897
  H     17.54815269      6.19390752     -9.21523975
  H     11.93807749      7.55902736     -9.26159582
  O     11.36756141      3.51427533    -10.02648749
  H     14.20967726      4.87836939     -8.97147927
  H     12.10643564      8.82053186     -8.38506197
  O     17.13226648      9.72410775    -13.68367845
  H     14.70743171      3.58491739     -9.71728157
  H     10.79938964      6.60112232    -10.94449739
  O     17.80747893      7.39879762    -15.29695798
  H     15.67096882      2.44305611    -11.23098882
  H     10.91207998      5.44754686     -9.94240192
  O     17.76292220      6.19228128    -12.73635067
  H     16.43189184      1.71056076    -10.09873581
  H     17.18140509      8.04046595    -10.29293858
  O     11.84471244      8.42718659    -14.75413006
  H     15.32305913      9.52967906    -13.91029185
  H     15.98043148      8.44017231    -11.17236980
  O     13.74577850      5.76842641    -11.85399727
  H     14.23387740      8.97709700    -12.96608876
  H     15.52292224      6.68073202     -8.30450402
  O     14.78655443      2.40562688    -12.71120307
  H     14.27868534      6.69699460    -15.97474344
  H     14.01058398      7.05281613     -8.33115298
  O     12.59080057      8.19419249     -8.91625586
  H     14.82647986      7.71575065    -14.93636363
  H     11.36609946      7.38898111    -13.34959496
  O     10.83951949      6.40537442     -9.99595330
  H     12.29141509      3.70082256     -9.77817525
  H     12.11934360      6.36438026    -12.44287067
  O     16.94523070      8.35554704    -11.17370350
  H     10.97343923      3.05368296     -9.28941493
  H     16.35416730      5.21258565    -13.33859036
  O     14.63441102      6.34064537     -8.14441516
  H     17.22449078      9.39278077    -12.78024054
  H     15.32163090      5.48843147    -14.45012360
  O     11.23979782      6.67688051    -12.70603849
  H     17.51666747      9.04792641    -14.25363345
  H     11.70888093      3.85280198    -14.00789886
  O     15.55120986      4.86349027    -13.75073366
  H     18.27598707      7.35123365    -16.12645919
  H     11.24282018      5.31029077    -13.94433674
  O     11.52450582      4.61849702    -14.56047613
  H     16.87068784      7.23230050    -15.49529174
  H     12.23262791      5.56233107    -15.84488797
  O     12.60025734      6.19281931    -16.49006975
  H     17.97712824      6.54156003    -13.60987403
  H     12.17693566      6.00820107    -17.32413567
          69
 Energy    -249.96640061775815     
  O     13.95341161     12.50578488    -14.08164214
  H     14.90736298     12.59158905    -14.18690799
  H     11.85068069      6.23447718    -16.89900248
  O     13.88492721      6.89515445    -14.02674716
  H     13.58662942     12.27697052    -14.94446222
  H     17.39509651     11.61931690    -15.60334280
  O     17.99417419      7.97648050    -12.69589110
  H     13.28434281      6.72269352    -14.76129796
  H     16.78678215     10.83906525    -16.78417913
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  H     12.30819485     12.59192230    -11.42006067
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  H     18.09824562      9.40651582    -15.75632905
  H     13.19135069     12.09548592    -12.58976092
  O     16.57282592     10.36731575    -12.38837894
  H     18.34561383      8.45303387    -14.51743017
  H     17.23445375      5.60805581    -10.73370351
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  H     16.53768826      5.16141956    -12.03788796
  O     14.31241785      5.76502546     -9.70707272
  H     11.52482823      9.45160589    -14.58590887
  H     11.82863460      8.78289543    -12.27118536
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  H     11.78967181     10.31267006    -12.41949118
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  H     15.31532385      7.31006282     -9.14778509
  H     16.71564088      5.78213771    -14.69519102
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  H     13.37610754      6.89394734    -10.86091854
  H     15.49928418      6.11801159    -13.81338277
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  H     18.92360862      7.09060806     -9.37783608
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  H     17.46243737      7.51218757     -9.66874719
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  H     14.27280899     10.75979281    -17.12369324
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  H     14.86798720      8.34788558    -17.63899734
  H     13.87894800     10.59565129    -10.93927196
  O     18.26049087      7.11417834    -10.06199807
  H     13.99383067      5.04676177     -9.16720858
  H     13.97702907      9.05168671    -11.00116757
  O     15.02940179     10.16124773    -17.11361455
  H     15.07181055      5.42312368    -10.21196335
  H     17.30894571     13.24385920    -13.63522375
  O     14.45173505      9.84912755    -10.72164369
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  H     16.79803362     11.80647957    -13.38019230
  O     16.81742152     12.52873432    -14.03216756
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  H     12.32383755     10.90078238    -16.19292010
  O     12.76512712     11.70096520    -16.53774403
  H     13.19886635      6.99665716    -16.89747660
  H     12.10787325     12.18950163    -17.02477841
          69
 Energy    -249.96626368646247     
  O      2.04582398     -1.30313768     -0.70332170
  H      2.70871562     -0.60357665     -0.74841417
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  H      1.91458340     -1.52533725      0.23158416
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  H      3.59556483      4.26262255      3.50188621
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  H      1.84563307      3.67652777     -0.69699430
  H      0.63119286     -0.29737920     -1.07099106
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  H     -0.90502616     -0.36229038     -0.84573654
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  H     -2.13712724     -2.05139911      0.47209455
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  H     -2.78985784     -0.80946872     -0.17913325
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  H      1.28833390      1.47402288      1.52476141
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  H     -0.65258237      4.90184271      1.26344308
  H      0.23755593      1.18184598      0.39808151
  O      1.42786600     -2.07835647      1.89930931
  H     -1.98740113      4.33230444      0.75062393
  H      2.51319334     -0.41679807      4.29969160
  O     -0.00639290     -3.27888869     -1.21157463
  H     -0.17398444      3.13491232      4.48628070
  H      2.66526441     -1.29484631      3.04036229
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  H      1.35465105      3.23415444      4.25230327
  H     -0.40256737      1.62293308     -2.12292508
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  H     -0.72146218      2.30801578     -3.47377584
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  H      0.73050166      3.43852404      0.98521625
  H      0.92105810      1.09354126      5.17882415
  O     -2.15476605     -1.51859857     -0.33821569
  H     -0.10403005     -0.69544501      4.21438040
  H      1.06442063      0.09064827      6.34754978
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  H      0.51643627     -5.48749771      1.09203399
  O      3.13078246     -0.65402471      3.59607011
  H     -2.08397688      2.06257289      3.13456559
  H      0.19407897     -4.21826945      0.26627009
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  H     -1.11626293      1.45163710      2.09827361
  H     -1.27815386     -3.66118213      1.82356827
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  H      0.69019899     -1.64899855      2.35543768
  H     -1.58528132     -2.38862938      2.63901794
  O      0.31304458     -4.55988341      1.17085777
  H      1.15999451     -2.99349766      1.74763159
  H     -3.08440566      0.94063442      1.23899750
  O     -1.95601448     -2.99317488      1.98187876
  H     -0.79339515     -2.73006805     -1.10148035
  H     -4.52442233      0.82760277      0.68717981
  O     -3.60535194      0.77840634      0.43373705
  H      0.74554272     -2.67390571     -1.24276898
  H     -1.84236437      3.07516207     -1.31754685
  O     -2.48273679      3.24928938     -0.61810990
  H     -1.79857950      4.17781364      3.05862720
  H     -2.88526906      2.40212928     -0.39759585
          69
 Energy    -249.96574497590268     
  O     15.44183685      6.15387587    -13.95918769
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  H     14.88169958     11.55873732    -15.74691243
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  H     12.55053516     10.52827153    -13.28075496
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  H     11.51056505     10.99719459    -12.23797514
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  H     16.38563789     10.17073830    -16.78474278
  H     18.10721618      5.83804924    -11.87854266
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  H     10.38038914      6.39089606    -15.61720271
  H     18.33384790      6.28033682    -10.41605874
  O     14.46691922      7.89370536    -18.13864154
  H     11.32299476      7.09367260    -14.61333879
  H     11.70256059      8.49933615    -12.76533897
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  H     15.32109819      8.47889518     -9.45867711
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  H     17.66560219      7.97139368     -9.16467129
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  H     11.77132493      8.40614039    -16.46805445
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  H     12.93247342      8.79513922    -17.39490780
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  H     15.44276568      4.40120755     -9.41261571
  H     13.53256227      9.70124462    -11.24574767
  O     18.61426286      7.88076468     -9.36711033
  H     12.92041988      6.14855240    -15.95043100
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  H     14.09240439      6.51353006    -16.87513337
  H     16.95063637     11.77016094    -13.22770666
  O     14.32164879      9.30375754    -10.85789292
  H     19.77830669      8.16091140    -16.30369612
  H     17.37285942     13.25200806    -13.36348372
  O     17.33529785     12.42395509    -13.83590430
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  H     12.84897880     10.23957146    -15.59887450
  O     13.34879762     10.62927918    -14.86509994
  H     16.29940567     12.05801691    -15.38853428
  H     14.03844466      9.98162606    -14.65326462
          69
 Energy    -249.96562053782014     
  O     13.71370421      5.28109727     -9.61146880
  H     13.85411036      6.12452339     -9.16585761
  H     17.18260917      9.27867905    -12.62640826
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  H     14.57727919      5.02182160     -9.95849168
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  H     13.66341747      8.14973789    -11.73967002
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  H     12.27765853      5.03038000    -10.54341709
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  H     10.94036246      4.26227535    -10.63289376
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  H     21.48959939      7.83390084    -12.48245256
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  H     20.20907104      7.37388391    -11.74292844
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  H     12.84826761     12.39245122    -11.57831312
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  H     10.92037993      6.67046377    -11.50496927
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  H     10.77867432      7.56139020    -12.75188454
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  H     15.90933397     10.15256552    -12.50079869
  H     12.75585851      9.91198162    -10.82206480
          69
 Energy    -249.96554134989614     
  O     -2.00203220      4.48077660      3.29331749
  H     -2.45183494      4.29242263      2.45906415
  H      0.31451906      2.38722770      2.48679133
  O     -2.79777387      6.49812634     -0.63069708
  H     -1.54176379      5.32099898      3.16712883
  H     -0.91075831      3.06498689     -3.30964383
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  H     -2.51405982      7.26586949     -0.12308425
  H     -0.47536259      2.69256772     -1.87767900
  O      2.95838964      7.48408166      1.32955398
  H     -2.01952398      6.23508697     -1.15079157
  H      1.89682889      7.67550727     -3.49807335
  O     -0.56267047      5.68717220     -1.88213554
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  H      1.54018944      7.62535208     -1.99306263
  O      0.53849172      5.00345824      0.63256714
  H      3.13595403      4.64232725     -0.65160401
  H     -2.69029698      1.40493500     -1.40713638
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  H      3.25016914      6.63638838      0.96658667
  H     -3.21162482      1.81040285     -2.79492652
  O     -1.33794651      2.14309631     -0.34373930
  H      2.72750745      7.31728135      2.24991726
  H      2.79517630      3.65160500      3.44920676
  O     -0.36962488      6.67081817      2.61790251
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  H      1.47462225      3.68101886      4.24584791
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  H     -4.68732827      4.30575082     -1.95009589
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  H     -3.16475247      3.85861129     -3.54856707
  O      1.64981459      7.08098759     -2.79559087
  H     -1.69257341      9.30312855      1.29942710
  H     -0.54537527      2.20456755      4.92065419
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  H     -0.64520923      1.98877946      0.30957620
  H     -0.88321118      3.36306673      3.94976892
  O      2.30507457      4.15456834      4.10937037
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  H      1.70094342      3.83366313     -2.51384683
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  H     -0.05008845      6.08028095      1.91614882
  H      2.42971508      7.23795352      4.78568785
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  H     -2.99544880      4.94398551      0.31247932
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  H     -3.90653774      3.69228273      0.38595059
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  H      2.42908689      2.38709611      1.72532342
  O      3.36041620      2.59615292      1.91112107
  H      1.79287146      8.17988553      0.15958785
  H     -6.08507486      2.53248793     -0.55119913
  O     -5.23633252      2.93676537     -0.70709529
  H      0.53665001      3.30864532      1.25378990
  H     -4.68518480      2.27396935     -1.16104272
          69
 Energy    -249.96544613856099     
  O     12.37840251      9.52507787    -10.89892778
  H     11.60392008     10.07827129    -11.05981482
  H     13.71877029     15.46762299     -7.71877627
  O     12.49382650      7.58174051    -12.92523082
  H     12.45343555      8.91415792    -11.64209661
  H     10.16769610     11.78477457     -9.88429450
  O      9.38805346      9.13698047    -13.10008601
  H     12.16472869      7.95620617    -13.75404689
  H     11.15618274     12.02022559     -8.70136481
  O     14.55824101     10.86289248     -9.99129771
  H     11.74163959      7.12806713    -12.52146344
  H     12.92885094      8.54420808     -7.86416575
  O     15.63045632      8.24711248     -9.73278239
  H      9.50154512      8.30652988    -12.62126633
  H     12.71586746      8.52847620     -9.40002973
  O     11.39265571     15.42159917    -11.94523339
  H      9.94571204      9.06088899    -13.88424435
  H     12.61099448      9.92250803     -5.61798141
  O     12.02755061     12.88514511    -12.93794916
  H     13.77741018     10.44744826    -10.39652368
  H     12.63895348     10.63510953     -6.98994537
  O     14.02684130     15.09540222    -10.84975374
  H     15.16411500     10.13552519     -9.81576963
  H     14.72753621     12.08805026    -11.28758340
  O     10.40224114      7.17711562     -9.14861574
  H     16.28241724      7.70457467     -9.29697901
  H     15.04892043     12.10768407    -12.79318148
  O     10.66462245     14.82478609     -9.40318827
  H     14.77712403      8.05426033     -9.30777202
  H     11.84067903      9.65712344    -15.14319124
  O     15.16211817      8.40633446    -12.59041182
  H     11.04678327     15.22474577    -11.05577236
  H     11.21077288      8.60154835    -16.08370254
  O     13.31256497     14.79057079     -8.25303426
  H     10.90542430     16.17335132    -12.27062279
  H      9.85455462     10.55120605    -12.12159026
  O     10.22749295     12.07994499     -8.96190943
  H     12.93033761     12.79809975    -12.60054660
  H     10.82590771     11.78985996    -12.11031599
  O     13.10193233      8.02837234     -8.66250331
  H     11.73785129     13.77910769    -12.71661612
  H      9.75222011     10.39494446     -8.16458712
  O     12.44873065      9.79002549     -6.54845741
  H     13.21059614     15.32500817    -11.31134351
  H     10.61006558      9.55764283     -7.21449290
  O     14.69419278     12.64818693    -12.07672754
  H     14.39472491     14.33386978    -11.31704263
  H     12.42345756     11.76594610    -14.36940381
  O     11.34525403      8.81819772    -15.16547607
  H     10.04032564      7.96350218     -8.71351721
  H     13.69906538     10.96172024    -14.70665738
  O     10.29301244     11.20378648    -11.55586225
  H     11.32922789      7.15485419     -8.88906960
  H     16.20621797     10.63514622    -14.55045789
  O      9.82404675      9.51657633     -7.77099237
  H     11.47638867     14.90985910     -8.88947726
  H     15.36711176      9.89099282    -13.48630366
  O     12.77338812     11.07924292    -14.95218660
  H     10.33498675     13.93345988     -9.22573245
  H     10.16139369      6.85930091    -10.82295746
  O     15.43893780     10.72090081    -13.99061640
  H     15.36672321      8.29483542    -11.65535873
  H      9.58014337      5.87789719    -11.86356335
  O     10.09384181      6.67644259    -11.77731926
  H     14.30888137      7.97620185    -12.73860316
  H     13.10400864     12.98044834     -8.02357933
  O     12.95575590     12.02685203     -8.05509495
  H     13.64049919     14.91549703     -9.16212520
  H     13.57832909     11.66371895     -8.70091691
          69
 Ord_Energy   -249.964767    
 O    5.59729719      -1.60454655      -4.91837189E-02
 H    5.91273165      -2.32472396     -0.607724667    
 H    5.32464361     -0.897413433     -0.655244887    
 O   -7.88697973E-02  -3.83729815      -2.77928114    
 H  -0.175290093      -4.39624882      -1.99713027    
 H   0.497368991      -4.28481054      -3.41279840    
 O  -0.899931967      -2.53606582      0.754326224    
 H  -0.174013957      -2.17468238       1.28181446    
 H  -0.633310020      -3.41407347      0.462230742    
 O    4.85568285      0.427213937      -1.77484322    
 H    4.98881292       1.16219401      -1.16020727    
 H    3.91024995      0.421217889      -1.98705852    
 O    5.05556870      -1.55777264      -3.77876306    
 H    5.09638357     -0.776724219      -3.21149325    
 H    5.52272654      -2.24564719      -3.29361224    
 O    2.17766285      0.257734358      -2.29017687    
 H    1.69442606      0.286808491      -3.12557459    
 H    1.57372165      0.468633294      -1.56554675    
 O    4.94558954       2.23868418      0.300315320    
 H    5.23623323       1.64096308       1.00002778    
 H    4.03276443       2.46816707      0.514654398    
 O    2.67824125      -2.24634004      -5.06792307    
 H    2.08694720      -1.48829675      -5.01689625    
 H    3.51964283      -1.97972512      -4.66835880    
 O    6.12631941      -3.61152959      -1.98231769    
 H    6.82829428      -4.22463608      -2.18583131    
 H    5.29035759      -4.07953310      -2.14656711    
 O    3.62044048      -4.62964678      -2.44963551    
 H    3.18812776      -3.80169463      -2.18459845    
 H    3.15728045      -4.89912701      -3.25084162    
 O    1.85392821      -4.76119375      -4.63470745    
 H    1.77463043      -5.22226286      -5.46468782    
 H    2.14991498      -3.85353470      -4.84322739    
 O    2.52368045      -5.46813631       4.68371212E-02
 H    2.83283257      -4.68460417      0.522998750    
 H    2.95205522      -5.41617155     -0.816820681    
 O   -1.13821840      -1.32671320      -3.32079887    
 H   -1.44895291      -1.00341916      -2.46701694    
 H  -0.890291393      -2.25211811      -3.18539596    
 O    2.09673858      -2.45209908      -1.65592158    
 H    1.27208412      -2.80473757      -2.01078010    
 H    2.18426490      -1.54100025      -1.95969903    
 O    2.91440320      0.693163037       3.03366208    
 H    2.70639110       1.46572125       2.49429750    
 H    3.82490110      0.458361953       2.81444287    
 O    1.32048643      -1.23446870       1.89585972    
 H    2.00042582      -1.85554254       1.59808564    
 H    1.78036690     -0.590133905       2.45279431    
 O   -1.87140393     -0.489164352     -0.701983035    
 H   -1.58486640      -1.26724195     -0.187853664    
 H   -2.75842285     -0.284683049     -0.418246031    
 O   0.808785617      -7.22263306E-02  -4.68505955    
 H    5.23690693E-02 -0.510141194      -4.25299597    
 H   0.455593646      0.470590562      -5.38422918    
 O  -0.152548879      -5.13444424     -0.289012641    
 H  -0.625173092      -5.88995457       5.10892905E-02
 H   0.792846501      -5.30251741     -0.131331652    
 O    3.22688818      -2.86447144      0.778605819    
 H    4.09507036      -2.46738505      0.642652035    
 H    2.75032139      -2.72278833      -5.70189804E-02
 O    5.59033966      0.103699937       2.13629866    
 H    5.66680813     -0.549984694       1.42280757    
 H    6.37071753       6.25514006E-03   2.67720866    
 O   0.604883552      0.659299314      -2.94227209E-02
 H  -0.294957250      0.426539630     -0.288099408    
 H   0.886782289      -1.44057702E-02  0.608248651    
 O    2.19975138       2.66098881       1.05139422    
 H    1.72941029       3.48553824       1.14961135    
 H    1.58556604       2.04003739      0.628232121    
          69
 Ord_Energy   -249.964478    
 O   -9.96207047       1.54677081       3.50277758    
 H   -10.8398008       1.19485617       3.38312793    
 H   -9.72640514       1.39696181       4.43683052    
 O   -9.57487392       4.12852716       6.73556948    
 H   -9.94231224       4.64921141       7.44410992    
 H   -8.60605526       4.23170662       6.78058863    
 O   -6.05240250     -0.643345058       2.17843771    
 H   -6.59920502      0.155199513       2.08419943    
 H   -6.38482571      -1.28354311       1.55489457    
 O   -2.01656938      0.978691399       8.75614262    
 H   -2.17457151       1.55525851       7.99588060    
 H   -2.15861320       7.92994425E-02   8.43466187    
 O   -3.38136983      0.358983397       2.59001637    
 H   -4.23579454      -9.19311959E-03   2.33500862    
 H   -3.34156752       1.24160564       2.20228004    
 O   -3.08536744       2.38079286       6.54943132    
 H   -3.17361736       2.96105409       5.78140593    
 H   -3.91128516       2.44349027       7.04986048    
 O   -5.90179443     -0.291488856       4.98799276    
 H   -6.03942394     -0.567145407       4.07463455    
 H   -4.94506407     -0.290689409       5.13688421    
 O   -7.05750847      0.245765775       7.41283083    
 H   -6.57229328     -0.263925016       8.07875061    
 H   -6.73214436      -6.11835010E-02   6.55341816    
 O   -5.97578669       3.77827168       1.17797923    
 H   -6.36358881       4.50471354       1.68216348    
 H   -6.56944084       3.02904439       1.31573308    
 O   -7.49744940       1.67221439       2.23724818    
 H   -8.41341019       1.56327462       2.52200890    
 H   -7.03520679       2.06048679       2.99870229    
 O   -9.38434124       4.34570980       3.90333843    
 H   -9.53677940       4.38583755       4.85566807    
 H   -9.63207817       3.45096326       3.64478660    
 O   -3.77358294       3.74280286       4.24128342    
 H   -3.45809007       3.59162092       3.34353256    
 H   -4.62918472       3.28739524       4.29626703    
 O   -4.14080477       1.43919384       10.3811769    
 H   -3.30871701       1.30220580       9.89306259    
 H   -3.90312862       1.69788671       11.2669468    
 O   -3.38980889       3.03065777       1.54498732    
 H   -4.30255938       3.31587791       1.35986340    
 H   -2.84989047       3.35648680      0.829888463    
 O   -2.86203337      -1.50835109       7.60106421    
 H   -2.40776968      -2.33869481       7.48131895    
 H   -2.93380737      -1.10166347       6.72099066    
 O   -5.43688488       2.42756319       8.09439087    
 H   -6.02132273       1.69298041       7.85618734    
 H   -5.05964279       2.21473885       8.95674801    
 O   -6.22320747       2.46584368       4.53513288    
 H   -6.13771820       1.54794395       4.82458115    
 H   -6.61708927       2.98358774       5.24708843    
 O   -9.33863544       1.35384619       6.13041449    
 H   -8.64368725      0.954234421       6.66769791    
 H   -9.47961521       2.24686384       6.46925068    
 O   -3.15489864      -8.19017068E-02   5.28220177    
 H   -3.07334065      0.791231573       5.69296598    
 H   -3.09406090       3.95235494E-02   4.32285166    
 O   -7.31214905       5.72132778       2.78071856    
 H   -8.05567932       5.22882128       3.17044711    
 H   -7.68483305       6.51237631       2.39828134    
 O   -6.90272999       4.24855042       6.66743469    
 H   -6.37554741       4.90357876       6.18588114    
 H   -6.33118439       3.75240779       7.26864338    
 O   -5.24972391     -0.921888828       9.13247490    
 H   -4.92921925     -0.211380139       9.70116806    
 H   -4.48096418      -1.21505809       8.62768936    
 O   -5.48744345       5.85922623       4.97941017    
 H   -4.74368668       5.30113649       4.71631622    
 H   -6.07385826       5.89310646       4.21234369    
          69
 Energy    -249.96434081735248     
  O     19.94918620      9.73470046     -7.60010789
  H     20.40119897     10.36020048     -7.03963559
  H     18.54492894     10.07130422     -8.77885290
  O     16.92072965      5.38816334     -9.46340410
  H     20.58790663      9.45486898     -8.27961729
  H     21.46329967      9.06357683    -10.49702412
  O     18.09456866      5.00319856    -12.86141570
  H     16.34485627      5.22630050    -10.22052578
  H     21.58814866      7.88623193     -9.51868196
  O     19.00197815      7.54172202    -13.11823625
  H     17.52187375      6.09812190     -9.73461637
  H     17.57827953     10.08431050    -13.08950694
  O     15.43669308      5.29213562    -11.78749045
  H     18.65926266      4.54549302    -12.22720397
  H     16.72513044      9.95559321    -14.37791623
  O     21.04837544      9.23199881    -12.35797748
  H     17.18536196      4.93435435    -12.54480089
  H     20.86920173      3.51960106    -11.47643035
  O     20.11639950      5.17381194     -6.96844546
  H     18.28565698      8.11066112    -13.42645694
  H     20.47795101      4.71092169    -10.57739610
  O     13.27072292      6.46892320     -8.14454951
  H     18.70284081      6.62024287    -13.17068359
  H     12.55182068      6.81957544    -11.25047615
  O     20.85797607      6.14283693     -9.50199222
  H     14.56383193      5.06989864    -11.43947232
  H     13.48980078      7.92563960    -11.75648725
  O     18.57027450      7.42931771    -10.34128877
  H     15.44818065      6.25819204    -11.87226358
  H     14.50936461      9.26656908     -9.09883762
  O     18.48522186      7.50037018     -6.52357547
  H     21.73097584      9.28052113    -13.02331669
  H     15.63828710      8.36411729     -8.53929682
  O     17.98617343     10.07202363     -9.56602003
  H     20.40834884      8.56847399    -12.66630467
  H     15.87383012      8.60373101    -12.42664823
  O     21.61727572      8.85090432     -9.56851257
  H     19.59800264      4.50802360     -7.45539904
  H     15.48446854      8.42727375    -10.92251810
  O     17.00255524      9.48383346    -13.59738967
  H     20.54332573      4.71688998     -6.24862807
  H     16.76405795      7.20086654     -6.98101983
  O     20.12295284      3.94976334    -11.06485026
  H     12.96081053      7.36514226     -8.32181414
  H     16.22113543      6.30959278     -8.11524951
  O     12.58087983      7.75920676    -11.46939437
  H     14.13986485      6.57010428     -7.73417837
  H     11.89941000      9.70532521     -8.98444023
  O     15.45475021      9.08514160     -9.16020292
  H     20.72234062      5.84181245     -8.59367919
  H     12.51633384      8.69425763     -9.98185045
  O     15.35259139      8.07375312    -11.81244913
  H     20.06168437      6.63917969     -9.75312167
  H     18.45844650     10.74256608    -11.17512387
  O     15.95273330      6.96391461     -7.45225517
  H     18.65297367      7.44093227    -11.30321146
  H     19.60409406     10.51440456    -12.18210860
  O     12.63657887      9.11487675     -9.11150113
  H     18.39506486      8.33482288    -10.05877686
  H     19.21309875      3.39580796     -9.41695258
  O     18.72791780     10.90676012    -12.09134656
  H     19.04668054      6.72128296     -6.61759305
  H     17.97936855      4.06477477     -8.81420688
  O     18.73087078      3.49602117     -8.58802941
  H     19.00625661      8.24899989     -6.83556091
  H     13.07679662      5.50955119     -9.60765219
  O     12.94249123      5.08451196    -10.47372795
  H     17.07432647      9.86846739     -9.31353963
  H     12.32473493      4.37174775    -10.33383710
          69
 Energy    -249.96283707440398     
  O     15.60625242      5.62983720     -7.92840233
  H     14.82575516      6.18867128     -8.09214386
  H     12.55393721      9.94617968    -13.60865187
  O     14.82320043      6.40648412    -15.29223850
  H     15.66724312      5.51554212     -6.98388289
  H     16.95777112      6.78552569    -12.83095208
  O     17.27451765     10.07813395    -13.66093294
  H     15.46967647      6.76490348    -14.66799559
  H     15.67348675      7.65424402    -12.86021923
  O     10.88446715      6.83575823    -12.89742833
  H     14.44747536      7.15786424    -15.76658722
  H     13.85184801      6.93620146    -11.79362585
  O     15.81963295      2.23855067    -12.35365104
  H     18.22331324     10.17002625    -13.69357174
  H     13.45998738      8.18965368    -12.65192208
  O     11.23794745      6.55441519    -10.20241510
  H     17.08757702      9.12937755    -13.56082013
  H     12.74493183      7.18210573     -9.04092954
  O     17.57618939      5.45690114    -11.79027517
  H     11.21300522      7.67151700    -13.25537140
  H     14.01556277      8.05826527     -8.88883424
  O     15.48489277     11.20808590    -11.70821667
  H     11.35207901      6.14348634    -13.38163238
  H     15.63968160      4.76705538    -15.61418942
  O     13.89938741      2.40445356    -14.26664109
  H     16.63968853      2.52976071    -12.77034628
  H     15.28342499      3.31007317    -15.27215610
  O     15.09460226     10.77569667    -15.34479312
  H     15.74594943      2.74997148    -11.53672758
  H     13.11680607      5.03605628    -12.27848723
  O     13.31543457     11.59502711    -13.25346926
  H     11.02936660      6.72606580    -11.13815506
  H     12.59439564      5.49569893    -10.87448196
  O     12.33510748      9.03493163    -13.84641984
  H     10.41248636      6.33334742     -9.77836216
  H     14.23148900      9.46824579    -16.07313813
  O     16.50262358      7.47564426    -13.33170946
  H     17.87758891      4.81330755    -12.44368975
  H     13.34481815      8.92895876    -17.22404012
  O     14.12860544      7.82105420    -12.06221428
  H     16.90447840      5.00067624    -11.26204255
  H     13.01458039      4.03589134    -14.16781214
  O     13.53413411      7.31185507     -8.50559543
  H     16.18814335     10.88410185    -12.28339277
  H     13.43261340      5.49273386    -14.48091608
  O     16.00991665      3.87592345    -15.56030655
  H     15.44496313     10.60019525    -10.95720574
  H     18.76224589      3.08203016    -14.17884689
  O     13.37446183      5.19841506    -11.36012852
  H     14.53297015      2.30473170    -13.53313072
  H     17.35294422      3.65595480    -14.45615298
  O     13.66038559      8.72743570    -16.34722479
  H     13.56743324      1.53222873    -14.46172373
  H     15.67864534      4.48597287     -9.39986906
  O     12.75783463      4.95867721    -14.03813702
  H     15.90983796     10.59229796    -14.86106570
  H     14.80480163      4.48228600    -10.67230848
  O     18.00796636      3.48379216    -13.75623285
  H     14.49799618     11.19215704    -14.70997462
  H     16.86626537      6.70716247     -8.93793298
  O     15.62630092      4.12917008    -10.29417105
  H     14.05815190     11.48813544    -12.63088960
  H     17.58950037      6.74431968    -10.29651296
  O     17.31834262      7.29699815     -9.55471111
  H     12.91761021     12.44014445    -13.06374669
  H     14.80601935      8.69632769    -10.67139180
  O     15.23767044      9.09933835     -9.90157649
  H     12.68384546      8.88813007    -14.73467841
  H     16.04577950      8.58601419     -9.75154805
          69
 Energy    -249.96266607684845     
  O     11.67832253     10.13241314    -11.24040808
  H     12.01496187     10.66755200    -11.96879589
  H     14.93107076      6.58536860    -17.59545768
  O     13.95112153      7.11081012    -14.78326532
  H     11.24965478      9.36910818    -11.64827767
  H     17.74800799      6.21664707    -15.22313464
  O     17.83083091     11.21055088    -11.60762656
  H     14.24930449      6.57748298    -15.53187301
  H     18.54692746      5.51251888    -16.34017211
  O     17.37060575      8.63989587    -17.41951304
  H     14.64969784      7.75231021    -14.58412630
  H     14.82298158     12.91090189    -16.10930329
  O     11.90201448      8.90822933    -14.85208075
  H     16.87697341     11.07852662    -11.69759032
  H     15.58484694     11.61823953    -15.74321420
  O     16.37515644      7.59311474     -9.79260181
  H     18.13046133     10.54284920    -10.97765664
  H     16.33107484      9.42492723    -14.66950589
  O     13.40499295      6.48900425    -12.18247533
  H     17.59585627      7.78620129    -17.03182823
  H     15.69506108      9.35207468    -13.25716360
  O     15.16754652     10.47783909    -11.96706374
  H     16.53817503      8.50805067    -17.89197069
  H     19.38506146      8.47060025    -11.69716385
  O     14.81601445      8.20023003    -18.57246052
  H     12.61380211      8.25182143    -14.92724417
  H     19.56335465      9.05099089    -13.11332772
  O     15.98313313      5.40709080    -11.61465253
  H     11.31516690      8.55765561    -14.17391898
  H     10.13909382      7.08161391    -12.26049142
  O     17.11060815     10.71344644    -15.70298195
  H     15.50186735      8.00628181     -9.79582299
  H     11.67821730      7.15900025    -12.31514774
  O     15.03506232      5.86741798    -16.95653688
  H     16.28727188      6.79218693    -10.32202146
  H     18.72780465     11.04399208    -13.06591937
  O     17.79040951      6.07223496    -16.18186831
  H     14.17471046      5.98685036    -11.89067094
  H     19.98042925     11.42264309    -13.89376765
  O     14.70317406     12.02695151    -15.77030914
  H     13.55761223      6.65589606    -13.12642349
  H     16.94520362      7.42704093    -13.66821004
  O     15.93179904      8.82302465    -14.03030940
  H     14.78422275      9.87054022    -11.32071439
  H     18.36555299      7.10190501    -13.16262722
  O     19.61074114      8.23183096    -12.60624130
  H     14.43248513     10.81926149    -12.49483210
  H     17.84935922      8.50207232     -9.91595912
  O     10.86448996      7.65955235    -12.48575027
  H     14.54050017      8.26498610    -19.48313000
  H     19.10602089      9.01281395     -9.17671404
  O     19.22869546     10.83564561    -13.87669920
  H     14.24823752      8.80799352    -18.06685783
  H     13.74395672     10.68116055    -16.72814625
  O     17.55126999      6.69116282    -13.49047676
  H     16.55619616      5.78620860    -12.30212687
  H     12.65561236      9.62056379    -16.46425253
  O     18.67419495      9.00734828    -10.02681838
  H     16.26977515      4.50612099    -11.48563520
  H     13.68532671      7.89284412    -10.97470406
  O     13.29567700      9.92226717    -17.12021906
  H     17.28923993     10.04488847    -16.38429893
  H     13.06101751      9.20911602    -10.46484268
  O     13.83279334      8.63212646    -10.36913935
  H     17.89488776     10.79975499    -15.14586378
  H     13.56398294     11.59582984    -14.31020897
  O     13.04715585     11.16320051    -13.61917681
  H     15.97853353      5.82063020    -16.75803525
  H     12.63781651     10.39447901    -14.04170047
          69
 Energy    -249.96243175620179     
  O     16.15626291     11.28018858    -15.66048415
  H     16.62069981     11.09627226    -16.48613963
  H     19.19798675      5.84501795    -16.57114051
  O     14.03531300      6.00155117    -15.82356528
  H     15.23014969     11.03936640    -15.78574559
  H     19.64939687      8.06993690    -17.43220457
  O     18.20722192      7.77415979    -12.38844236
  H     13.70879505      6.69896298    -16.41287840
  H     19.85644728      8.65904172    -16.02153657
  O     19.59255626      6.35290568    -18.29912684
  H     14.40645730      5.28805005    -16.35566475
  H     15.69547981      6.83711768    -15.56799347
  O     17.02872576      5.75183255    -18.86868834
  H     19.02693336      7.76767205    -12.89357748
  H     16.52798806      8.02320512    -14.97765064
  O     14.29445298      9.19616891    -10.23279796
  H     17.63506847      8.42335796    -12.82885719
  H     12.67334643     10.95424808    -15.38338663
  O     14.01508547      6.34589166    -13.13135606
  H     20.18136889      6.02237021    -18.97155570
  H     13.49311387      9.93855550    -14.56391013
  O     16.50623751      9.37900437    -13.76040691
  H     18.68813530      6.11868555    -18.57795958
  H     15.81888596      4.64274010     -9.04738478
  O     17.03481974      3.90670197    -14.79706790
  H     16.61145610      6.62164682    -18.79053726
  H     14.96306747      5.62517509     -9.88404094
  O     13.47497597      6.42386374    -10.37590470
  H     16.52117507      5.14892504    -18.31295156
  H     14.28478592      8.30065363    -17.78929101
  O     15.56485655      4.01131709    -17.08499996
  H     14.17451332      9.83715748     -9.53732462
  H     13.36544371      8.95021797    -16.73606648
  O     18.87257524      5.80922673    -15.66298616
  H     15.19953754      8.84804215    -10.13846320
  H     21.22274855      7.43977969    -14.17385284
  O     19.62197267      8.89197983    -16.92558988
  H     13.86168355      6.12988622    -14.06185584
  H     19.87301699      6.92467902    -14.72695867
  O     16.54426193      7.29598665    -15.61293720
  H     14.91159089      6.04708545    -12.92310604
  H     16.42328389      5.26002714    -11.52876538
  O     13.40947532     10.34859158    -15.44003691
  H     16.52172809     10.13074713    -14.37069198
  H     17.19067858      6.21050373    -12.48333900
  O     15.86977598      5.30211705     -9.73353691
  H     15.60802963      9.31793816    -13.41159942
  H     17.36614470      8.00619649    -10.72054171
  O     13.43895103      8.19497901    -17.33228320
  H     17.82332801      4.38650899    -15.08601210
  H     16.55963946      7.10071196     -9.77075146
  O     20.30960241      7.68503142    -14.30436005
  H     16.80290229      4.30677502    -13.94936797
  H     18.16441822     11.20572675    -18.50756960
  O     16.58275162      5.45873310    -12.46018966
  H     13.58529994      7.37134369    -10.23086265
  H     18.44387602     10.02774627    -17.54539064
  O     16.73797696      8.02440685     -9.98688664
  H     13.46264510      6.30892291    -11.33679062
  H     13.90602932      9.27056070    -12.04281522
  O     17.73776688     10.57517239    -17.93359032
  H     15.29642918      3.13557950    -17.35144236
  H     13.83495942      8.12861457    -13.08675024
  O     13.84538080      9.09321830    -12.99032439
  H     16.07219497      3.90930303    -16.25951243
  H     16.61107851      9.11609226    -18.27581988
  O     16.11600253      8.29531619    -18.17467090
  H     18.04384872      6.31760977    -15.64563480
  H     16.31545343      7.97751936    -17.27978497
          69
 Energy    -249.96225806016702     
  O     12.96706356     12.92196505    -13.04066220
  H     13.69916893     12.85866366    -13.67766863
  H     16.53174117     11.48865584    -17.57715723
  O     19.20944814      9.01887002    -13.40056656
  H     12.70058109     13.83750826    -13.01587115
  H     13.41465655      9.28934045    -16.93999632
  O     16.30786567     10.52291785    -11.73019612
  H     18.76444590      9.00025370    -14.25920523
  H     12.58326663     10.35503992    -16.15535593
  O     11.71097541     10.77178211    -14.56583235
  H     19.13871881      9.92454361    -13.07857389
  H     16.25883879      9.50320839    -14.74884434
  O     13.62924395      7.81553591    -13.97466678
  H     16.03854567     10.23783001    -12.61873293
  H     14.83428104      9.14214307    -14.21486487
  O     14.58086496      6.23516026    -11.89611732
  H     17.13925749     10.99654829    -11.84175633
  H     14.19760943     11.36692387    -17.45681602
  O     18.59272496      6.86814734    -11.90460825
  H     11.52257856     10.14473930    -13.85711165
  H     14.39862735     12.62982263    -18.33117370
  O     14.94219400     12.44015827    -14.86978809
  H     12.01860652     11.56473531    -14.11307781
  H     13.77100505      9.58399867     -9.74567190
  O     16.69123123      6.46374162    -16.34223764
  H     14.01083053      7.19823000    -13.33804814
  H     14.81522201      8.46234889     -9.55544817
  O     16.35163023      7.98547865    -10.60650051
  H     12.92271736      8.27617648    -13.50476752
  H     17.63533260      9.64418615    -16.44660386
  O     16.68925031      5.74613386    -13.72113230
  H     13.74410977      6.27054935    -11.41772057
  H     17.39042031      8.13096444    -16.08752815
  O     17.45341773     11.20831091    -17.45585798
  H     15.18288319      6.83532885    -11.43080021
  H     16.79860712     12.72317032    -14.79680124
  O     13.12810689     10.21326153    -16.94103469
  H     19.39391626      6.45034294    -11.60087668
  H     17.85036071     12.17695126    -15.76267582
  O     15.51254706      9.82950753    -14.23064619
  H     18.86045312      7.64521919    -12.42872340
  H     19.35222717     12.33834988    -12.18404829
  O     14.82599599     12.08325737    -17.67831051
  H     15.06975348     11.50141776    -14.65338129
  H     18.43576908     12.06818998    -13.40039207
  O     13.92333403      8.73787853     -9.30549154
  H     14.80932541     12.47678702    -15.82432693
  H     14.58106892     10.86898670    -11.26727983
  O     17.69050135      8.98417170    -15.74506203
  H     16.96190575      5.70706744    -16.85548995
  H     13.33819594     11.69657946    -11.64992148
  O     17.75253878     12.61402098    -14.91023750
  H     16.66510794      6.17256590    -15.41261229
  H     12.43751723      9.71594192    -11.85331868
  O     18.73616807     11.70780855    -12.54706455
  H     17.16211478      7.55443654    -10.90513437
  H     11.77752676      8.32857034    -11.67588398
  O     13.62758610     10.94571070    -11.11670152
  H     16.38119117      8.88349311    -10.96772193
  H     12.79354367      7.55357740     -9.92390462
  O     11.83662409      9.08326845    -12.27366817
  H     17.40268170      6.06233020    -13.15330660
  H     11.66990483      6.49595971     -9.79434560
  O     12.23175749      6.93552390    -10.42671879
  H     15.91023021      5.70868092    -13.15277439
  H     13.77290276      7.56239215    -15.77205034
  O     14.04272169      7.60314053    -16.70166089
  H     17.90498458     11.39302004    -18.27610753
  H     14.91632761      7.19995167    -16.72086066
          69
 Energy    -249.96209713543851     
  O     11.56145288      3.24893447    -11.53194284
  H     11.51040252      3.76764554    -10.72094411
  H     17.62635595      7.41137721    -15.92430686
  O     17.88250217      4.47807945    -11.14695015
  H     11.25506735      3.81695011    -12.24730773
  H     17.47535965      5.73477635    -14.63848917
  O     14.81591499      8.43115445    -11.51569541
  H     17.26915019      3.78595634    -10.87343387
  H     17.29764351      6.40401059    -13.25589281
  O     14.82588261      9.66340388    -15.89045366
  H     17.72740847      4.64768090    -12.08470239
  H     14.25141778      5.26036221    -12.22403513
  O     18.28957265      6.86536284     -9.96320490
  H     14.58163674      8.77007856    -10.64399382
  H     14.14332445      5.35612666    -10.67126092
  O     14.43592155      4.51593733     -9.05210047
  H     14.61414016      7.48106385    -11.49383688
  H     13.20028833      2.49593598    -11.85336284
  O     16.02370117      2.52551171    -10.21417505
  H     14.66733864     10.33850510    -16.54505296
  H     14.37341772      2.87003968    -12.78113046
  O     13.26564336      8.62588898    -13.80077002
  H     14.81804999      8.80856110    -16.35926480
  H     13.82993346      9.60276275     -8.29104287
  O     14.84838538      7.16840079    -16.95415210
  H     18.17662434      5.97045785    -10.33456184
  H     13.17698926      8.36866028     -8.95596453
  O     11.71990929      4.61151047     -8.94971917
  H     19.13823718      6.87606071     -9.52826786
  H     11.50183074      7.50188912    -10.21268942
  O     17.48325000      8.91304280    -15.04463300
  H     14.98404840      5.25009068     -8.73256893
  H     11.65851282      6.50225628     -9.06053811
  O     17.58053399      6.52344852    -16.32520382
  H     15.01583302      3.79996141     -9.33847245
  H     16.49077301      8.27098283    -12.09507117
  O     17.28715606      5.54952833    -13.71017625
  H     16.31616522      1.67217785     -9.90629781
  H     17.83469159      7.74366110    -11.56122163
  O     13.98646929      5.83356622    -11.49394463
  H     15.34013904      2.36256223    -10.89117639
  H     16.68351106      6.87741732     -8.92027248
  O     14.11626151      2.26987703    -12.06771433
  H     13.84308253      8.66689881    -13.02390600
  H     15.32447714      7.51561146     -8.52104732
  O     14.00879952      8.86877893     -8.87250932
  H     13.72223617      9.10270203    -14.50454333
  H     12.38532578      6.63219722    -11.80445815
  O     11.72798412      7.44090231     -9.27557423
  H     15.72178864      6.78747243    -16.80107930
  H     11.96792608      7.84018109    -12.66917945
  O     17.38777790      8.02832641    -12.36784704
  H     14.21488896      6.64536288    -16.44583337
  H     15.68636026      4.75022446    -13.77630074
  O     15.87281044      6.72864005     -8.41894376
  H     12.68745871      4.51468864     -8.90358607
  H     14.22653232      4.91148272    -14.30659527
  O     11.61779227      7.16532248    -12.07318154
  H     11.35968875      4.09379651     -8.23340742
  H      9.81259316      5.12448241    -13.88235327
  O     14.79361043      4.38087395    -13.73221148
  H     17.52566135      8.74500075    -14.09335854
  H     10.88968435      5.87366998    -13.06224248
  O     10.73732489      5.11089859    -13.64598344
  H     16.61924044      9.30241087    -15.22467279
  H     12.22323726      5.67841516    -14.74956674
  O     13.04235969      6.08326721    -15.05872064
  H     18.28394045      6.47224910    -16.96691011
  H     13.11439667      6.93971493    -14.61265669
          69
 Energy    -249.96199024557450     
  O     11.26562371      3.04078315    -12.59060696
  H     11.19472525      3.35631928    -11.67693597
  H     17.93316630      5.75277304    -13.77112584
  O     17.61537129      3.65779048    -10.67275666
  H     10.53676555      2.43800759    -12.72555877
  H     13.24146473      9.26058897    -13.96231551
  O     14.79272312      8.18039579    -10.87350794
  H     16.89578297      3.02301772    -10.76167533
  H     12.31193815      8.46877069    -14.90375574
  O     17.82545349      5.67418553     -8.87584925
  H     17.72522169      4.08358223    -11.53350721
  H     14.26999591      5.35877537    -12.48372915
  O     13.92583811      3.90588648     -9.60813836
  H     14.32791568      8.32505427    -10.04248543
  H     13.90586223      5.13642672    -10.98462936
  O     15.38180526      1.86058667    -10.84179414
  H     14.50115347      7.30836066    -11.18404849
  H     14.38724010      3.08710096    -13.51409326
  O     15.06184248      9.13052236    -13.47105019
  H     17.76340532      4.89852871     -9.46247660
  H     13.04840718      2.53336400    -12.96837426
  O     15.09381254      7.06246091    -15.33942007
  H     18.58509978      5.53491372     -8.31647916
  H     14.03156341      7.23552844     -8.20951486
  O     11.11727400      3.85794867     -9.89718131
  H     14.38904205      3.13082107     -9.95110962
  H     13.35803665      8.50873325     -7.64014764
  O     17.82981399      9.02397790    -13.42167033
  H     12.97671007      3.73322137     -9.63066299
  H     11.89250824      7.02622683     -9.13389121
  O     17.85524713      6.83192229    -15.33221497
  H     15.52416052      0.92737944    -10.70889001
  H     11.14408157      6.88689509    -10.47777676
  O     17.69719903      5.34765090    -12.92776635
  H     14.90131502      1.95693900    -11.68416158
  H     16.56080082      7.74687278    -10.94657634
  O     12.31484226      9.04024992    -14.12741221
  H     14.88427593      8.91222975    -12.54538659
  H     17.68848524      6.93819831    -10.26547114
  O     13.85147398      5.76475053    -11.71487916
  H     16.01499341      9.28835133    -13.52408487
  H     14.70544671      5.13686440     -8.49570044
  O     13.98079156      2.31837190    -13.08875439
  H     15.05350820      7.76822134    -14.67630495
  H     16.04335369      5.86488256     -8.25037777
  O     13.41025520      7.95797433     -8.41663983
  H     14.22308580      7.01749778    -15.75489369
  H     12.33003604      6.70741658    -12.07894790
  O     11.19937861      6.52633799     -9.58013358
  H     10.50946043      3.50288722     -9.25370551
  H     11.72761986      7.95363398    -12.79871339
  O     17.46323897      7.41947120    -11.07076324
  H     11.11825191      4.82547207     -9.77102009
  H     15.06060123      5.43140724    -14.48593844
  O     15.10342677      5.89015927     -8.03753732
  H     17.88543178      8.56551867    -12.57251804
  H     16.07662572      4.79026406    -13.51918657
  O     11.50874939      7.19995581    -12.23214851
  H     18.01442470      8.35772941    -14.09382189
  H     11.25846130      4.52463981    -13.85137791
  O     15.18863461      4.68327290    -13.88906657
  H     16.89469046      6.90734044    -15.46005213
  H     11.14036612      6.02940819    -13.59734851
  O     11.21232398      5.37166005    -14.30463819
  H     18.24515770      6.79098023    -16.20176057
  H     11.92902142      6.93836989    -16.95853515
  O     12.44235995      6.92983237    -16.15518277
  H     17.60066906      6.07556990    -12.29488607
  H     12.00126751      6.30826068    -15.54862751
          69
 Energy    -249.96073108490037     
  O     16.85415360      3.94930638     -9.68147076
  H     16.75597116      4.58585621     -8.96454037
  H     17.51931238      7.97064033    -14.80933670
  O     18.84892959      8.75873225    -13.75502578
  H     15.95251426      3.76542911     -9.98156784
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  H     18.96404806      8.09274900    -13.05246605
  H     15.97178593      6.79003933    -10.89359235
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  H     19.72227978      9.04059897    -14.01289955
  H     19.06956201      3.39873785    -11.86641211
  O     16.78316511     10.37886904    -12.64082301
  H     14.08814934      7.52815477    -11.96302166
  H     17.92816190      4.06096427    -11.06381235
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  H     12.83891897      7.60758476    -12.86915098
  H     14.50758981      9.61089338     -9.74241052
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  H     12.15228743      7.20181200    -14.88780064
  H     13.42056764      8.92088735    -10.58533738
  O     10.78637213      5.04111454    -12.33512594
  H     12.83922116      5.88996852    -14.43506918
  H     13.66159936      7.61197399     -8.75927749
  O     16.22524518      6.01173258     -7.75702318
  H     17.54250029      9.89910135    -12.99450940
  H     12.98879512      6.22198703     -8.76630871
  O     12.73579355      8.56967314    -16.06360794
  H     16.06050979     10.21950404    -13.25928562
  H     14.30892528      8.98375232    -13.57777313
  O     14.70083680      6.60546120    -16.94027692
  H     16.91189680      8.53233949     -9.75176064
  H     15.43108352      8.68467609    -14.62429823
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  H     16.95698457      7.15599232     -8.99768520
  H     16.57173841     11.07114419     -9.57986170
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  H     18.50388536      7.20949246    -11.02564618
  H     16.46225879     10.34032758    -10.93809062
  O     18.47457011      4.14368244    -11.86576168
  H     18.97259020      5.98870567    -11.83911607
  H     11.41816531      5.10002014    -10.58839419
  O     13.66050554      9.15436827     -9.67840882
  H      9.89255831      4.87867934    -12.62849551
  H     11.10377668      4.60248305     -9.16435969
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  H     16.31751470      5.97232679     -6.80923426
  H     17.23761497      4.70457434    -13.19406444
  O     16.29429308     10.25257043     -9.98248847
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  H     13.91738127      3.57047281    -11.45942105
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  H     13.43370292      8.96742143    -15.51519186
  H     13.35509903      3.56727403    -13.75148585
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  O     14.14625946      4.74744659    -14.97213024
  H     16.71334954      6.66598013    -14.65880339
  H     14.29030520      5.24106352    -15.79222171
          69
 Energy    -249.96009675582292     
  O     -3.19929385     -1.32991743      0.57124744
  H     -3.73796314     -0.78935399     -0.02483329
  H      0.62154255     -0.52223628      0.98706352
  O     -1.48379307      2.88462013      0.59812599
  H     -2.45401267     -1.63728843      0.03800447
  H     -1.83061484     -2.94225739      3.00284945
  O     -1.55118726      0.51355866      4.89808196
  H     -2.16269150      3.06276033     -0.06337117
  H     -2.77495337     -2.72199778      1.79510998
  O      2.24082300     -3.26688323      1.55428332
  H     -1.81813902      2.16309604      1.15245752
  H      2.43662759     -0.73445644      4.02116407
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  H     -0.77145791      1.08082568      4.93452053
  H      2.00609096      0.77002637      4.16102267
  O     -2.25688400     -0.84536167     -3.13846838
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  H     -1.21549056      0.42292709      2.08355522
  O     -4.25307793      0.29653209     -1.38272678
  H      1.38944013     -3.63285965      1.28412532
  H     -2.64504612      0.04326707      1.66072990
  O     -1.33354552      1.87061752     -3.05530812
  H      2.18463827     -3.09035569      2.50010145
  H     -0.38086236     -5.27330081      0.56315963
  O      0.64094189      2.07549739     -1.03026140
  H     -0.82847918     -3.06381426     -0.60887852
  H     -1.00484642     -4.05801246      1.28667868
  O      3.58458111     -1.59504100     -0.09646590
  H     -0.30163213     -1.67793422     -1.04336236
  H      1.41776717      3.36808438      1.76027812
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  H     -2.41961077     -1.38481516     -3.90870631
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  O     -2.26369299     -3.39338664      2.26601296
  H     -3.68827201     -0.06941577     -2.07499122
  H      1.01501437     -2.41809960      4.35393368
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  H     -4.05502755      1.23998290     -1.36040050
  H     -0.31646433     -1.50073356      3.16593603
  O     -2.13909891      0.71597974      2.13505369
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  H     -1.01674993     -1.17158901      4.49415790
  O     -0.28684925     -4.33211964      0.68727512
  H     -0.53766540      1.93182044     -2.51093776
  H      0.76518752      2.58491597      3.90940589
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  H     -0.10199942      2.32194273     -0.45906097
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  O      1.97847261     -2.55682027      4.35764139
  H      1.41999667      2.51046153     -0.66228708
  H      3.88002239      0.03132710      0.82125092
  O     -0.62784673     -1.90284459      3.99243972
  H      3.14645757     -2.22300140      0.50677480
  H      3.52664760      0.63601451      2.19647064
  O      0.85987035      2.09936792      4.74941066
  H      4.25917588     -2.08339591     -0.56038402
  H     -2.61655965      2.67663389     -2.17194066
  O      3.86759248      0.85730762      1.31828979
  H      0.99386818      0.33009047     -0.94124869
  H     -3.74040207      3.72977018     -2.01477055
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  H      1.98430980     -0.87756413     -0.70585865
  H      3.46032696      3.79353119      0.26031021
  O      2.77516090      3.15218170      0.42708404
  H      1.15303787     -0.10353351      2.38836150
  H      3.21672703      2.33977219      0.73451230
          69
 Energy    -249.95976222971450     
  O     15.57932701     10.43640417    -16.17426594
  H     14.73943609     10.63919117    -15.74526352
  H     20.50675413      9.72090815    -17.14333192
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  H     13.63129212     10.76797332    -13.90379182
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  H     16.46788261      7.86282142    -11.18542630
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  H     19.05672549     10.69931699    -10.28654872
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  H     14.64880477     11.05208801    -11.57064391
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  H     14.71500269      8.43694478    -18.96390983
          69
 Energy    -249.95967809664742     
  O     -2.88987166      5.09548528      4.29108802
  H     -2.25832195      4.84515345      3.60331374
  H     -2.39316233     -3.30630645      2.85814042
  O      1.39076675      0.86719500      1.50669830
  H     -2.63726596      4.58693107      5.07178240
  H      0.69001079      1.74791329     -1.79175164
  O     -1.50812843     -0.33649577      4.11303631
  H      1.05647843      1.08952947      0.62996161
  H     -0.40866563      2.18594268     -0.79373097
  O     -3.50570093      0.59050110      0.48965952
  H      1.06479915     -0.02033684      1.70492616
  H     -6.05757523      5.18419574      4.13142904
  O     -2.88339529     -3.09276990     -0.36831462
  H     -1.90236391      0.43721557      3.68131883
  H     -4.57356022      4.76651050      3.98845321
  O     -0.04600991     -1.49030890      2.07870360
  H     -2.19363538     -1.01658780      4.09249258
  H     -1.33764549      3.70518433      0.63485341
  O     -5.51014384     -0.44980905      5.18319098
  H     -3.73995693      1.35839210     -0.04519787
  H     -2.43110238      3.41512408     -0.41987000
  O     -6.41545276      0.27348698      2.52841381
  H     -2.69539427      0.19542605      0.14209826
  H     -5.77911161      3.42406939      2.34225556
  O     -2.35418576      3.25143469      6.42715137
  H     -2.80191049     -3.60864426     -1.16679748
  H     -6.11172414      1.97231446      1.89416337
  O     -1.25572280     -0.82342625     -0.32576236
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  O     -4.82401770     -1.68088764      1.18834605
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  H     -1.73989631      3.09951409      2.63346499
  O     -1.74829485     -3.66842306      2.23749978
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  H     -4.82506169      3.28892616     -1.34588064
  O      0.18452508      1.45266595     -1.03937814
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  H     -6.06560224     -0.59611950      5.94497298
  H     -4.07647996     -1.96168221      2.85258671
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  H     -6.09307002     -0.46939772      2.00337151
  H     -4.29184669     -1.64661270      4.33971078
  O     -5.85399139      2.84875929      1.57336586
  H     -6.24232482      0.02322780      3.44278003
  H      1.35468193      2.07929552      2.74080627
  O     -1.15681704      3.85785243      2.46528808
  H     -2.19091653      3.46390962      7.34205559
  H      2.14705747      3.15617250      3.51664066
  O     -4.28777958      3.02827875     -0.60295073
  H     -1.59624829      2.71852567      6.12574105
  H      0.29086684      2.09457140      4.87259994
  O     -3.67877666     -2.07296154      3.72832166
  H     -0.82665969     -1.05219615      0.51335097
  H     -0.63388856      0.89775767      5.18410355
  O      1.27723204      2.77928120      3.41378385
  H     -0.73535609     -0.11111237     -0.71851722
  H     -3.83368802      2.45751476      5.67569641
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  H     -4.38153091     -2.32187938      0.62161217
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  H     -4.43368595     -0.82493114      0.94511864
  H     -3.19588826      1.35874946      2.10813949
  O     -2.83911266      1.73621945      2.92332423
  H     -2.17490876     -3.64698538      1.37246527
  H     -3.55878126      1.85591001      3.55237541
          69
 Energy    -249.95919888668675     
  O     19.64476188      9.57227597     -7.07771832
  H     19.89684130     10.07811304     -6.31012443
  H     16.71768028      9.18575613     -8.54525156
  O     17.77037769      5.14742317    -10.51221410
  H     20.22598891      9.85614272     -7.80724657
  H     21.29208897      9.41749329     -9.67724845
  O     16.87537798      6.07303965    -14.23128564
  H     16.97772727      5.07895866    -11.05711360
  H     20.82521307     10.86508802     -9.91048827
  O     17.96799476      8.43211780    -13.30316654
  H     18.04700078      6.07743506    -10.54299455
  H     16.34574705     10.61578851    -12.03326949
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  H     12.62902775      5.70773121    -10.37626635
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  H     17.64492960      7.61256171    -13.70477910
  H     16.00379965      7.14118891     -8.19467775
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  H     14.76895588      4.76534089    -11.54776433
  H     14.58985347      7.75257480     -7.99749204
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  H     15.07426943      8.64478783    -11.59965302
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  H     15.08033435      7.95311231    -10.19605116
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  H     21.10751361      4.97628412     -9.27569246
  H     20.69183278     12.42801952    -11.93386808
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  H     17.79533728      5.99341085     -7.50140553
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  H     12.61315557      6.92916321     -8.49911432
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  H     19.29314363      4.23497020    -10.37287932
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  H     19.51514464      7.67244791     -7.08013165
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  H     18.14062006      9.70090022     -8.13758439
  H     13.11009317      3.13800142    -10.40525101
          69
 Energy    -249.95893922287291     
  O     16.30711220      8.15027222    -15.39455475
  H     16.70924517      8.65859323    -16.12207104
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  H     19.10805712     13.17286297    -12.14642217
          69
 Energy    -249.95855927308565     
  O     -2.66183528      0.12937295      2.95578228
  H     -3.11545594      0.44949063      3.74554051
  H     -4.34864750     -2.70923259      5.02444290
  O     -2.87932611      3.69140643      4.21650937
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  H     -3.26199571     -1.96554102      9.09908533
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  H     -1.04252330      0.40145221      6.91357429
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  H     -1.15450769     -3.35029765      6.16754739
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  H      3.52846581     -1.01597789      4.20202465
  H     -2.64475730     -3.68902009      5.96942198
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  H      3.76591382      0.36277142      3.54761704
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  H     -1.11746415     -2.55594566      3.74188500
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  H     -4.35947503     -1.38182958      6.79942454
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  O     -3.09752520     -1.62240039      8.22495904
  H     -2.46087213      0.67809808      1.31891048
  H      0.35042277      1.53100049      3.36356348
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  H      3.09328566     -3.35122375      3.15567357
  O     -1.97410464     -3.53188584      6.64542116
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  H      2.21465375     -2.10551666      2.88773681
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  H      1.48112689      3.21921408      3.66905889
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  H      3.64420311      1.11391705      7.29923226
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  H      1.31864617      0.23429471      6.47663099
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  H     -4.72612429     -4.09112575      4.43795629
  H      0.33643242      0.21107211      5.27476552
          69
 Energy    -249.95792489738375     
  O     13.80203605      8.72864890    -10.77086109
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  H     14.17557794     12.90397047    -14.63372135
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  H     13.51939182      4.14411443     -9.20602065
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  H     14.74722526      4.70397365    -11.43412540
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  H     13.52781097     11.09132728    -13.48211567
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  H     13.79568548      9.57262374    -13.64135732
  H     18.30563059      5.15897869    -10.68904518
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  H     19.09276915      8.23317148    -11.83195011
  H     19.14879517      5.13485615     -9.39110761
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  H     16.28919435      7.66923025    -13.81059642
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  H     16.61139880     10.14612107     -9.51908244
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  O     18.50433685      5.64876833     -9.86982934
  H     17.79641343      9.72794717    -10.40402703
  H     15.13720131      9.35440266     -7.57366527
  O     16.46452946      7.78606958    -14.75879964
  H     19.27004764      6.79009799    -14.04548781
  H     15.62167554      8.23295061     -8.52392997
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  H     17.89565627      6.48578506    -14.63467492
  H     17.53337794     10.49220625    -13.82295443
  O     18.01329199     10.11071311    -14.57269516
  H     18.24007505      4.91652318    -12.95276707
  H     17.67074894     10.56174326    -15.35787574
          69
 Energy    -249.95709845558679     
  O     15.31267188      5.50094190    -13.53546216
  H     14.59354500      6.05781527    -13.85635666
  H     15.98107142      5.90436146    -11.98420011
  O     17.84463804     13.95489412    -12.40293905
  H     15.81403099      5.20542507    -14.30445445
  H     21.91658190      7.92144515    -15.86429951
  O     20.64825668      8.48719524    -12.98297799
  H     16.88086544     13.93848894    -12.36369522
  H     20.95543339      8.18692874    -14.68323187
  O     16.44116352      7.09987484    -17.08540511
  H     18.08608010     13.34245786    -13.11218210
  H     18.01783168      8.94266313    -15.06185103
  O     15.94515249     11.67199685    -10.22712201
  H     20.19650189      9.23213899    -12.56859035
  H     17.06417073      7.82283452    -15.53466963
  O     15.20282279      9.32668754    -13.52500618
  H     20.07220633      7.73042166    -12.80194942
  H     15.02252404     11.29242747    -16.11065573
  O     18.23501821     11.75000672    -14.10825270
  H     15.50212236      7.34492079    -17.07930806
  H     14.38202953     11.54250390    -17.49049462
  O     18.61817806      6.60706975    -12.86679151
  H     16.51558261      6.18038331    -16.80729503
  H     15.93373778      9.15600295    -11.89675963
  O     13.32739491      7.46293879    -14.17079678
  H     16.03450350     10.72263052    -10.38025254
  H     16.44531791      8.06240261    -10.94095813
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  H     16.83543244     11.99176485    -10.03307863
  H     14.11557640      9.06997529    -16.87192200
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  H     13.58654214      7.90185440    -16.00008978
  O     16.41762020      6.17486867    -11.15539318
  H     15.18769587     10.24878725    -13.80755879
  H     18.43094945     13.19573323    -10.92773051
  O     20.99231112      7.97251468    -15.63360362
  H     18.65845608     11.29924908    -14.85199376
  H     19.21758479     13.13057648     -9.59505970
  O     17.39054978      8.28036030    -14.74712507
  H     18.44199264     11.23203321    -13.31730666
  H     18.07889083      9.79840983    -11.52874442
  O     14.80221048     10.87142962    -16.95642394
  H     18.15928745      7.18823832    -13.49508057
  H     18.91010757     11.05329283    -11.15576381
  O     16.43807390      9.01603300    -11.08129757
  H     17.97908489      6.38388651    -12.18315942
  H     15.28057730     12.73726804    -11.44657480
  O     13.91846742      8.12460518    -16.87839691
  H     13.92759923      8.16872539    -13.87264528
  H     14.33996186     13.91773153    -11.78478720
  O     18.64259937     12.62780825    -10.16498050
  H     12.52091196      7.55435578    -13.66952597
  H     16.48016091     11.86179760    -14.42297981
  O     18.84549054     10.32710367    -11.78859414
  H     19.24264976      5.70847152    -14.33864616
  H     15.21850061     12.47443759    -13.76010320
  O     15.02019707     13.35868505    -12.15035567
  H     19.94223282      6.25203335    -15.58655119
  H     18.59012695      9.96219284    -16.82171369
  O     15.51302176     11.90945148    -14.48538400
  H     16.91000430      3.75335903    -16.12210568
  H     19.84833089      9.39530859    -16.06650807
  O     19.15947228     10.07025232    -16.04360814
  H     17.83113364      4.90628665    -15.66095643
  H     16.45022423     10.11381376    -17.70188565
  O     17.25513362      9.64618732    -17.95304308
  H     16.25878821      5.48045044    -10.52177580
  H     17.05314057      8.70727052    -17.83556801
          69
 Energy    -249.95692482227872     
  O     18.84685389     12.03017528    -17.95128675
  H     18.31624119     11.80568869    -17.16655491
  H     20.34768434     12.64676281    -16.91550015
  O     18.97035234     17.81446246    -15.37425030
  H     18.74218614     11.31076002    -18.56833779
  H     15.19319479     13.19314687    -12.47235719
  O     20.70125442     11.77286472    -13.63572143
  H     18.13475837     17.33194906    -15.29290290
  H     13.65269431     13.33288873    -12.42884774
  O     15.80434310     16.11950189    -12.62882334
  H     19.32013260     17.58198769    -16.24240114
  H     20.23308962     17.00687768    -14.25669543
  O     15.43196549     15.10973267    -17.35823175
  H     20.63415916     12.59164756    -13.12162743
  H     21.08142238     17.26024935    -12.98952729
  O     16.63014245     12.51135171    -11.80828770
  H     20.89396274     12.05498078    -14.53774848
  H     17.17963147     15.31399727    -11.62471487
  O     15.04515863     12.91176641    -15.55067420
  H     16.13301583     16.20344665    -13.53726652
  H     18.25086945     15.69350177    -10.58593473
  O     21.92308117     15.64785641    -16.19060515
  H     15.20177913     15.36607711    -12.63441543
  H     17.61571777     11.14736373    -14.83123614
  O     16.60351659     18.55285520    -11.61151459
  H     16.31109676     14.96199956    -17.75386191
  H     16.51406634     11.96460056    -15.60922129
  O     20.07512186     14.24562352    -12.57551490
  H     14.86127532     15.41043240    -18.05981497
  H     20.37502745     17.15332054    -18.51449466
  O     17.93051033     14.73480376    -18.31519245
  H     17.23404007     11.87844466    -12.21251140
  H     20.72649518     16.31364495    -17.26569023
  O     20.76208391     13.10710271    -16.17693705
  H     17.16420489     13.20944946    -11.40715201
  H     20.18727591     19.02742471    -12.19500257
  O     14.43548084     13.67664158    -12.85147606
  H     14.77428932     13.24543443    -14.68710285
  H     21.49625338     19.26829518    -11.40230577
  O     20.93236991     16.62920741    -13.70461735
  H     15.07466743     13.66492005    -16.15328353
  H     18.00309695     19.26934439    -12.70203657
  O     17.87686841     14.94169858    -11.06890324
  H     21.72446600     14.70123165    -16.19445330
  H     18.83450726     19.07590188    -13.99654070
  O     17.41958650     11.61669756    -15.65088254
  H     21.78292682     15.95563448    -15.28600055
  H     19.58452155     17.71568396    -10.54943654
  O     19.98710476     16.68778899    -17.77754594
  H     16.23921004     17.71669396    -11.94512142
  H     18.05480507     17.85705546    -10.51991138
  O     20.89247063     18.58705945    -11.68556156
  H     15.86854789     19.04758049    -11.25692256
  H     19.19617568     10.97704847    -13.31904791
  O     18.81618822     19.53819153    -13.14753765
  H     19.37037869     14.48068723    -11.95672412
  H     18.40339018      9.74582198    -12.81974582
  O     18.78809200     17.35623485    -10.14079637
  H     20.45437725     15.06973414    -12.91227528
  H     18.08807085     13.24591337    -15.02558031
  O     18.29927085     10.62307224    -13.17882887
  H     18.30661382     13.84873760    -18.25625993
  H     18.96085947     14.06647303    -14.00690164
  O     18.49288395     14.10539610    -14.85222373
  H     18.64055619     15.36074895    -18.12839073
  H     16.21211956     15.96054526    -15.91781962
  O     16.78222601     16.17384399    -15.17040295
  H     20.03391598     13.58474170    -15.75076883
  H     17.40619010     15.43313775    -15.08024613
          69
 Ord_Energy   -249.956207    
 O   -2.86760426       5.74803877       7.46533680    
 H   -3.77106643       6.07671022       7.55075502    
 H   -2.67143106       5.24236917       8.26805878    
 O   -3.19326854      0.151412264       7.64300776    
 H   -3.53517079     -0.592233419       8.13391113    
 H   -3.91588283      0.799466610       7.57722092    
 O    2.33076811       3.63138652       7.78442478    
 H    2.09352064       3.16444492       8.59485722    
 H    1.67999446       3.34523487       7.12670660    
 O   -3.34828186       8.28819200E-02   4.71855831    
 H   -3.26478481      -4.15116698E-02   5.66889572    
 H   -2.59833932      0.642808199       4.46978664    
 O   -1.14211321       1.94254959       8.41456509    
 H  -0.755329430       2.33332539       7.61677647    
 H   -1.76930332       1.26327491       8.14066601    
 O   -5.24958658       1.62825894       3.39437103    
 H   -4.64245081       1.01833534       3.83810854    
 H   -5.92428160       1.86865127       4.03776646    
 O   -6.48486090       5.27263975       5.44918013    
 H   -5.83648157       5.39255619       4.74186707    
 H   -6.76665545       4.35125256       5.40774441    
 O   -1.66358340       6.21611834       3.53010488    
 H   -1.32421446       7.02010679       3.14268136    
 H   -1.21572924       6.11619091       4.38543987    
 O  -0.542998791       5.92644882       6.05360174    
 H   -1.35926211       5.97900772       6.57539845    
 H   0.184220955       6.15573645       6.64610863    
 O   -5.01715326       2.15940166       7.30952740    
 H   -4.44655514       2.64291525       6.69125175    
 H   -5.13790178       2.72111821       8.09017658    
 O   -1.52510345       2.13270903       4.27672148    
 H   -1.44514167       2.57601118       3.42054200    
 H   -2.19576883       2.62310767       4.77765226    
 O   0.121086143       5.15484858       10.2828579    
 H   0.540929437       4.28577089       10.3243465    
 H   0.551105261       5.61973715       9.55606270    
 O   -2.35353088       4.15711641       9.64632511    
 H   -1.57338345       4.60611105       10.0036745    
 H   -2.02880692       3.33848906       9.24748993    
 O   -3.39542127       3.67022824       5.67789936    
 H   -3.16120195       4.35497475       6.31786156    
 H   -3.82372475       4.12616682       4.94168663    
 O    7.06663281E-02   3.15166903       6.22170544    
 H  -0.322678775       2.68787098       5.46922588    
 H  -0.155897260       4.08481312       6.11984301    
 O   -4.39275503       3.40948820       1.58326936    
 H   -4.69699955       2.71371770       2.19588733    
 H   -4.83953857       3.26111364      0.754788101    
 O    1.04939044       2.43527555       10.0422144    
 H    1.22161269       1.74884808       10.6816359    
 H   0.272820324       2.15290809       9.53103828    
 O   -4.36354542       5.31093454       3.61750650    
 H   -3.49605107       5.73272896       3.57504106    
 H   -4.43851042       4.73411083       2.84443164    
 O   -5.15742588       3.93755817       9.36973858    
 H   -4.23749447       4.02776527       9.65466785    
 H   -5.38959932       4.77151299       8.94264126    
 O   -5.58774805       6.30365086       7.78161478    
 H   -6.09811544       7.07791376       8.00248432    
 H   -5.95795584       5.94973993       6.95306778    
 O    1.51783633       6.21866322       7.94752932    
 H    1.90954757       5.32895851       7.88220644    
 H    2.24201274       6.83028603       8.05307674    
 O   -7.04556894       2.45229483       5.48362589    
 H   -7.86176062       2.01786780       5.71931505    
 H   -6.41063070       2.26100922       6.19430256    
 O   -1.58805168       3.72002411       2.03418231    
 H   -2.50751710       3.60110712       1.76152587    
 H   -1.54294872       4.58496380       2.45888853    
          69
 Energy    -249.95600178913219     
  O     15.62711741     11.33288465     -9.06285533
  H     15.97374129     11.87378213     -8.35820058
  H     14.39393970      6.58768227    -15.11802179
  O     12.77741076      5.91323974    -11.64073314
  H     16.33267667     10.70791969     -9.30780138
  H     17.69546386      7.19903577    -14.67431650
  O     17.42711986     10.09789519    -12.59516955
  H     13.34334068      6.25649974    -10.93480135
  H     16.62337461      6.09131216    -14.83249417
  O     17.87824262      8.97601576    -15.07619871
  H     13.32222079      5.28344611    -12.12663985
  H     15.03303426      8.00335502    -11.44274970
  O     15.73885517     12.07387370    -13.74068673
  H     17.78913484      9.67352726    -13.38468140
  H     15.90290778      9.04438629    -12.23492969
  O     14.60530873      7.07504828     -9.89178149
  H     16.93878721     10.86891781    -12.91160345
  H     13.04491532      9.59076092     -9.67034243
  O     15.32746943      9.99578403    -15.63821543
  H     18.36012154      8.93892100    -15.91106065
  H     14.22636048     10.07432389     -8.81391561
  O     15.48549157      6.13382144    -18.07873162
  H     16.99053117      9.30282911    -15.28549385
  H     14.52772696      3.32564672    -13.28540978
  O     11.32547094      7.77991073    -12.94956560
  H     15.18048156     12.13020170    -12.94406404
  H     14.65795529      4.71496740    -13.94690988
  O     17.01319802      5.39691178    -11.97430512
  H     15.95677312     12.96995305    -13.98398412
  H     13.53325330      9.49946406    -11.74939985
  O     13.66726940      8.08661800    -14.48284580
  H     14.25889063      7.83325476     -9.39595702
  H     12.02911141      9.28681647    -11.97004540
  O     14.87427889      5.78443940    -15.36943415
  H     15.51424866      6.91660646     -9.61396731
  H     17.31120378      6.24774582    -10.49841666
  O     17.54641519      6.24730627    -14.58779554
  H     15.36560674     10.75694124    -15.04567047
  H     17.93669805      6.21130297     -9.08497116
  O     15.06154488      8.57603218    -12.22004766
  H     14.64687056      9.39753809    -15.29863971
  H     18.16753015      5.87215264    -16.35462374
  O     13.55170422      9.38625560     -8.87315713
  H     15.61856278      7.09824228    -18.11958570
  H     17.36438158      5.84418545    -17.66567116
  O     14.58810564      4.25838911    -13.09229308
  H     15.06327321      5.87978096    -18.89492861
  H     17.67330300      9.78143752    -10.80217751
  O     12.66166636      9.86375612    -11.52911837
  H     11.79416189      7.08012465    -12.45656796
  H     17.54795092      8.62929656     -9.77342538
  O     17.38927737      6.73915678     -9.66025213
  H     10.41341529      7.51081893    -13.00898993
  H     17.00437614      8.85223417    -18.06306857
  O     18.25907038      5.93460419    -17.31519736
  H     16.18146155      4.95916910    -12.18586954
  H     15.71728803      9.31781778    -17.34686364
  O     17.53851476      9.58930170     -9.86362667
  H     17.36686376      5.69060623    -12.82429863
  H     13.56895161     11.48821275    -11.49618459
  O     16.04139074      8.79165103    -18.08975976
  H     12.76147023      8.02376097    -14.15881361
  H     14.77006639     11.93384447    -10.63617044
  O     14.30887595     12.10962039    -11.46623871
  H     14.22132773      8.19751817    -13.69117502
  H     19.67065770      8.70687124    -18.18115977
  O     18.87884912      8.56162307    -17.67115380
  H     15.00603111      5.81420754    -16.32500484
  H     18.75673187      7.59723993    -17.60566238
          69
 Energy    -249.95554551585849     
  O     13.38889234      3.90561907    -16.62102782
  H     14.19834691      3.38550875    -16.78101861
  H     20.54189920      2.28533429    -14.32813304
  O     17.47346488      5.95147584    -11.84255563
  H     12.68659607      3.49029129    -17.11295596
  H     18.86619397      6.05208855    -16.31249082
  O     19.83517239      3.62317327    -17.13038955
  H     16.90007728      5.20047721    -12.05014382
  H     20.21120428      6.75107760    -15.94402441
  O     17.53075100      3.81397519    -18.83850366
  H     17.29181177      6.64162879    -12.49899255
  H     16.44311782      5.75255342    -16.13005006
  O     13.27538568      7.82056632    -11.54893225
  H     20.00205710      4.57461535    -17.06850489
  H     17.19269450      4.66735708    -15.29575085
  O     13.65176328      4.68388292    -13.93481472
  H     19.07218329      3.54790982    -17.71551983
  H     15.16987257      7.59257978    -14.05783944
  O     16.94262312      7.67711218    -13.92686123
  H     17.56694289      3.53963856    -19.75186029
  H     13.79868447      7.65165240    -13.34850889
  O     17.11591129      2.96650121    -14.58972801
  H     17.25926188      4.74819031    -18.84391684
  H     13.49321717      4.34608639    -10.42757201
  O     12.32209879      5.11186057    -11.49842398
  H     14.03434371      7.48693235    -11.03704476
  H     13.93298140      3.47704846     -9.22403757
  O     20.84733595      7.61314541    -14.46034281
  H     12.97155707      8.60804641    -11.10525471
  H     14.21001679      5.56830687    -16.80734144
  O     15.72526220      2.64886190    -16.98024716
  H     13.85742975      5.62418849    -14.04348370
  H     14.47655702      6.87190654    -16.00805207
  O     19.89781209      2.96883819    -14.49394506
  H     13.47598101      4.32771525    -14.81300199
  H     19.16642790      5.57732073    -12.54280975
  O     19.71928816      6.34774254    -16.67104554
  H     17.47186900      8.40043143    -14.28795003
  H     19.94474179      4.62187210    -13.49232648
  O     17.25501865      5.56609116    -15.64163229
  H     17.11068684      6.91075594    -14.49714918
  H     15.33958235      3.70005794    -11.47072728
  O     14.22721893      7.39747399    -14.17525069
  H     16.69514921      3.11200199    -13.73146863
  H     15.00535848      4.07487656    -12.93128872
  O     14.26687212      4.01509509     -9.93630750
  H     18.06370645      2.84698813    -14.44858436
  H     16.15945828      6.55167301    -10.59564626
  O     14.76410292      6.35949382    -16.77399502
  H     12.45646232      6.06735306    -11.46495636
  H     15.01327982      5.79758575     -9.90323798
  O     19.97450059      5.48480537    -13.06454026
  H     12.60887648      4.84919393    -12.38414283
  H     17.24966702      7.17682583    -18.62848700
  O     15.72619225      3.78663991    -12.34990259
  H     21.71022716      7.86742487    -14.14541590
  H     15.91170563      6.51963135    -18.23470124
  O     15.31536671      6.68174857    -10.14520025
  H     20.54866427      6.87840510    -13.89310571
  H     19.47259799      8.87107197    -14.95405033
  O     16.67928929      6.42207045    -18.81438322
  H     16.21183817      2.61020689    -16.14508295
  H     18.58355222      9.18651361    -16.17688312
  O     18.68150624      9.35179601    -15.23213378
  H     16.34011929      2.99085526    -17.64076822
  H     19.08608007      7.68346518    -17.64822109
  O     18.59263054      8.42852746    -18.03348867
  H     19.92028587      3.14984606    -15.45109970
  H     19.17176233      8.83998738    -18.67128466
          69
 Energy    -249.95538442254750     
  O     -4.18418464      0.84198537      0.88345952
  H     -3.28081545      1.05729666      0.59128055
  H      1.65619790      0.26190442      2.66497231
  O     -1.65776312     -1.51180015      7.14848456
  H     -4.76025509      1.49127766      0.48804099
  H     -1.04623112     -1.42143277      0.49708106
  O      0.38769766      1.69535104      1.99959501
  H     -2.43938484     -1.02768152      6.85525756
  H     -1.11552190     -1.06824896      2.01724893
  O     -4.10514813     -0.24961107      3.45817734
  H     -0.95350191     -1.32775376      6.51160886
  H     -1.67593472     -4.88349704      1.82743672
  O      0.18725080     -1.38194845      5.02456728
  H     -0.26527809      1.24178540      2.56272851
  H     -1.68365920     -3.32461844      1.88285594
  O     -2.15279085     -4.16346584      6.87344574
  H      0.56930080      2.53494802      2.41670532
  H      1.72531842     -3.47623025      1.79039188
  O     -4.58945081     -3.23157300      5.65439601
  H     -4.22718783     -1.19189531      3.26374388
  H      0.76346120     -2.32059706      1.41308353
  O     -1.66277282      1.34879901      0.01914552
  H     -4.22429002      0.22723707      2.62721639
  H     -3.64927823     -3.43857309      2.69385055
  O      1.38096500     -4.99657237      2.67007392
  H      0.04317362     -2.32270173      4.84869379
  H     -4.63607272     -3.14217215      3.84825983
  O     -0.64287838     -4.55978693     -1.23623342
  H      0.94547717     -1.09447670      4.49551973
  H      1.63065826     -2.58709319     -0.43343490
  O     -0.63216075     -6.13780139      0.95396396
  H     -2.06459958     -4.64041627      7.69433491
  H      2.23617506     -2.54827005     -1.85671803
  O      2.02546305     -0.48494201      3.14831138
  H     -1.95896119     -3.22814711      7.06873907
  H     -0.89747634     -0.37770197      4.04339284
  O     -0.95697702     -1.78164073      1.38688943
  H     -3.83068469     -3.68031637      6.04709571
  H     -2.31496358      0.03812953      3.50147986
  O     -2.06465742     -4.12445908      2.27799018
  H     -4.54157345     -2.32236722      5.97284164
  H     -1.62079862     -1.57761887     -1.60934842
  O      1.67929772     -2.62676350      1.32723746
  H     -1.36771740      0.65397572     -0.58572030
  H     -0.08062371     -1.41180442     -1.46267103
  O     -4.44882359     -2.94036560      2.91987792
  H     -0.90995387      1.55177957      0.58630103
  H     -3.47783006     -2.61751211     -1.01551682
  O      1.40996716     -2.55532907     -1.38091031
  H      0.86917805     -4.76350507      3.45601581
  H     -3.48595124     -3.07938337     -2.49003590
  O     -1.36557743      0.15320698      3.38165745
  H      0.78011482     -5.49855575      2.10529293
  H     -4.72992512      0.20888768      6.61623753
  O     -0.92682568     -0.96601820     -1.32787799
  H      0.09071046     -3.94651878     -1.36198345
  H     -4.18155555     -0.25253539      5.24869695
  O     -2.90765226     -2.89907113     -1.75333665
  H     -1.45036936     -4.05976175     -1.40865982
  H     -1.02936545     -4.23022607      5.37812919
  O     -4.13881782     -0.41712485      6.20479303
  H     -0.60444083     -5.62616123      0.12543376
  H     -1.11091628     -4.08798317      3.83618355
  O     -0.50316427     -4.05371384      4.58867782
  H     -0.79604001     -7.04548736      0.71340847
  H     -4.39893354     -1.00833017      0.41638360
  O     -4.44343335     -1.95868199      0.25899982
  H      2.10693917     -1.20333322      2.50700152
  H     -4.58541822     -2.36925085      1.12138500
          69
 Energy    -249.95485021443071     
  O     -9.05325720     -2.92969458      4.44402112
  H     -8.37513362     -3.03561832      5.12261432
  H     -6.64672179     -0.90999182      3.36163575
  O     -9.04131706     -1.23012653      1.08649140
  H     -9.37245030     -2.02308483      4.53915038
  H     -6.39735003     -3.56488312      6.75543417
  O     -8.55243027     -3.84430947      1.93680545
  H     -9.07476321     -2.18400731      1.22184218
  H     -6.26677314     -2.63028200      5.52862383
  O     -4.06998165      0.93713572      1.37464128
  H     -8.39339635     -0.91428386      1.73520608
  H     -0.94553535      1.93257003      5.36959485
  O     -7.63379299     -0.20928906      6.89930998
  H     -8.93974019     -4.70933793      1.83451028
  H     -2.39991511      2.45064498      5.49217205
  O     -4.65257645      4.87776137      4.02228228
  H     -8.74228718     -3.56018288      2.84988000
  H     -8.75693371      2.86379877      3.96042583
  O     -8.31688357      2.30880288     -0.55091574
  H     -4.20897684      0.17457052      0.80077955
  H    -10.24017243      3.20530015      4.21135060
  O     -5.37782875     -2.07397972      4.14903065
  H     -4.92705962      1.38948067      1.41448936
  H    -10.02281738      1.71577917      2.12784023
  O     -2.94955444      3.24074218      2.64711470
  H     -7.33078937     -1.12384766      6.83846647
  H     -9.95685960      0.43946634      1.23701923
  O     -4.93743583     -1.23846039     -0.24487367
  H     -6.90769338      0.34417734      6.57957683
  H     -5.52961198     -2.57818431      1.00957503
  O     -3.74540319      0.12746551      4.01908585
  H     -4.45635795      5.78599548      3.80779568
  H     -6.67075730     -3.42525681      1.65588188
  O     -7.29647098     -0.28988953      3.01225973
  H     -4.06977911      4.32869207      3.46740955
  H     -7.64228520      0.57339359     -1.04391386
  O     -6.85322788     -2.88794154      6.26269708
  H     -8.64070689      3.01672459     -1.10012143
  H     -8.02292067     -0.75557929     -0.38150712
  O     -1.78972912      1.94257204      4.92765817
  H     -9.05436825      2.03437603      0.02501440
  H     -8.86411159     -0.10674840      5.64370982
  O     -9.66206228      2.52293025      3.87703354
  H     -5.38254411     -2.55537407      3.30679794
  H     -9.63620714      0.77138026      4.60860880
  O    -10.12766449      1.39120318      1.22636996
  H     -4.67352739     -1.41263102      4.13355867
  H     -4.01873443      3.99473707      5.63258930
  O     -5.73483662     -3.19834978      1.71922910
  H     -2.41196865      2.83196025      3.33744751
  H     -4.43118042      2.66070037      6.26750227
  O     -7.38575356     -0.35390424     -0.98881878
  H     -3.22243381      2.51965537      2.06690032
  H     -6.21439513      2.01347087      5.08261097
  O     -9.38410283     -0.13318658      4.82279989
  H     -4.48954875     -1.59004747     -1.01074844
  H     -5.09675954      0.93685692      5.06456840
  O     -3.72192718      3.31863093      6.25395143
  H     -5.79641650     -0.90143448     -0.55655196
  H     -7.14156898      2.11805944      0.85268485
  O     -5.70530828      1.41410535      5.64383766
  H     -2.98688104      0.61123896      4.36661774
  H     -6.87754202      1.13465278      2.05140372
  O     -6.58951167      1.96008225      1.62748880
  H     -3.83373954      0.37759951      3.08805702
  H     -6.83272173      2.89922319      3.08344028
  O     -6.99308769      3.31197875      3.94749682
  H     -7.99730413     -0.21586313      3.67560584
  H     -6.29670012      3.97138885      4.05402796
          69
 Energy    -249.95440706397557     
  O     19.73186656     11.08253124    -10.78903415
  H     19.36104284     11.14697151     -9.89973678
  H     18.09381348     11.68281094     -7.68422040
  O     18.71633942      7.23663513     -9.36785830
  H     20.68768466     11.20770003    -10.72741548
  H     18.50125211     10.86925971    -13.68096267
  O     20.24034687      4.77199788    -11.36298058
  H     19.17780546      7.60582461    -10.13660691
  H     18.54728387     11.23264720    -12.18955178
  O     20.62002993      5.57797293    -14.10546605
  H     18.27751243      6.44038986     -9.68967522
  H     22.56264310     10.18024765    -10.27729397
  O     22.46541381      8.73721120     -9.35298570
  H     19.29962097      4.79332687    -11.14864228
  H     23.22847518     11.56442536    -10.46530506
  O     17.47402337      5.21108000    -10.80753666
  H     20.30707757      4.92011641    -12.31384521
  H     19.17119905      7.97472773    -13.20454267
  O     22.31424473      7.38451406    -12.71053745
  H     20.63020679      5.07615743    -14.91628467
  H     19.20236792      8.57206610    -14.61983104
  O     20.28045693      8.84937343     -7.67588968
  H     19.99138221      6.30887504    -14.23234267
  H     14.93803902      6.24681561    -12.68131225
  O     14.39390809      7.66664189     -9.01609435
  H     21.76239366      8.81124995     -8.68957230
  H     13.67252437      6.91236912    -12.12465417
  O     22.42151502      6.01060150    -10.27680650
  H     22.49698961      7.80751187     -9.60011619
  H     16.34273448      9.40589079    -10.83645025
  O     19.84321889      8.39154717    -11.59783484
  H     16.63260819      4.96828992    -10.40343144
  H     16.66040915     10.05611544    -12.22559137
  O     18.46926461     11.03678825     -8.27661905
  H     17.24953418      5.79592366    -11.54659834
  H     16.45655451      7.80537345    -12.45326248
  O     17.93924793     11.07075310    -12.92497207
  H     22.55533013      6.91832518    -11.89941211
  H     17.36737296      7.13148852    -13.49595596
  O     22.52268811     11.01090318    -10.78746791
  H     21.86749309      6.73691939    -13.27058222
  H     22.33360111      9.13319777    -13.31329671
  O     18.98738049      7.76607539    -14.13604020
  H     19.75728219      8.15837936     -8.10616937
  H     22.30922151     10.50346374    -12.62299528
  O     14.06789369      6.05035906    -12.30650442
  H     19.73897188      9.64484770     -7.72233708
  H     15.88309140      8.64839588     -8.90154077
  O     16.06804952      9.44594705    -11.76247336
  H     14.53536946      6.72886207     -9.19345802
  H     17.40629866      8.41730112     -9.12593092
  O     16.66979235      6.95040701    -12.85553188
  H     13.91340914      8.00972397     -9.77982375
  H     12.81771300      9.41062055    -11.75685684
  O     22.12230338     10.06556211    -13.46154717
  H     22.96075483      5.35101683     -9.84804076
  H     14.32305144      9.07027220    -11.68061603
  O     16.72342765      9.10181175     -9.06060531
  H     21.60823951      5.55791679    -10.56215300
  H     20.67483172     10.26040255    -14.43318197
  O     13.43007452      8.71848285    -11.52194813
  H     20.75040779      8.17005963    -11.83970664
  H     20.04819322     10.80030506    -15.73884173
  O     19.85240697     10.29536122    -14.95431381
  H     19.81750138      9.32757583    -11.35841040
  H     14.46655835      5.25358395    -10.78998664
  O     14.79238521      4.94544055     -9.92491382
  H     17.75608644     10.41298671     -8.49983987
  H     14.25108261      4.20057787     -9.67663566
          69
 Energy    -249.95430843078634     
  O     12.40989849     12.13601760    -13.82104869
  H     11.87886812     12.92851351    -13.78492048
  H     19.58793000     12.23806520    -16.42427050
  O     18.98949758      9.38231701    -11.78394659
  H     13.31356333     12.41610887    -14.04159968
  H     13.08648606      9.84767880    -16.18463853
  O     15.41802329     10.30947483    -11.33554185
  H     18.88575727      9.41087082    -12.74648858
  H     12.41932874     11.06215154    -15.51486728
  O     14.04168619      8.34992369    -15.33713594
  H     18.66094639     10.22889774    -11.46291179
  H     16.68071560      9.86210681    -14.24216999
  O     14.81417787      6.37781675    -13.38978259
  H     15.62257616      9.38797522    -11.11608014
  H     15.63495505     10.12544449    -13.11397444
  O     18.37429129      6.86878207    -11.06433029
  H     16.19146075     10.85268414    -11.14248455
  H     13.77065781     11.86174219    -17.14821713
  O     14.99914388     12.65570271    -14.67117919
  H     13.21812836      8.28672545    -14.82553191
  H     14.02168013     13.01809648    -18.14587123
  O     18.34931925      7.11131394    -15.91072026
  H     14.62546241      8.98549477    -14.88964068
  H     12.69742354      8.57735409    -10.66865434
  O     15.67527194      7.58989406    -10.99294994
  H     14.59513471      6.97392461    -14.11619768
  H     13.88691066      7.65675097    -10.32827744
  O     16.87518371     11.09871261    -17.47211344
  H     13.97761474      6.03954034    -13.04488000
  H     18.73382546     10.28490284    -15.01205016
  O     17.56323819      5.88410122    -13.64189784
  H     19.02701563      6.51404509    -10.46753744
  H     18.51509607      8.73072612    -15.05446404
  O     18.88060625     11.88471589    -15.89249515
  H     18.65409843      7.77662370    -11.28499499
  H     18.10822622     12.71168902    -14.35307130
  O     12.71215970     10.71690469    -16.36642791
  H     15.29064398     11.73870864    -14.53907475
  H     16.68325139     13.09281272    -13.92189441
  O     15.75116303     10.06151754    -14.07122662
  H     14.88083753     12.77123372    -15.62263248
  H     18.01293414     12.53536757    -10.51487690
  O     14.41946397     12.53240647    -17.42878753
  H     18.96701776      6.56105415    -16.38453982
  H     17.72159649     12.30700166    -12.01578495
  O     12.92133550      7.70629062    -10.31712261
  H     18.08550774      6.61632509    -15.11402226
  H     12.47690081     10.87771296    -12.42064066
  O     18.46327528      9.51561715    -14.49430950
  H     16.58446186      7.29224565    -10.86730501
  H     13.62203180     10.28980879    -11.57700890
  O     17.59139715     13.02376809    -13.60032132
  H     15.38352033      7.21870029    -11.83792480
  H     16.87189748      7.89575567    -16.83790445
  O     17.74329371     11.87205614    -11.14447956
  H     16.63264993     10.16118928    -17.45009397
  H     15.37871140      8.26287970    -16.70282928
  O     12.68905987     10.16468471    -11.80534026
  H     16.05491798     11.59448630    -17.56667555
  H     11.84724218      7.37043347    -13.26027729
  O     16.16965475      8.42873168    -17.22990784
  H     17.90529247      6.14285831    -12.77825703
  H     12.11073178      8.87253109    -13.02618598
  O     11.88970345      8.22346500    -13.70823097
  H     16.59934030      5.91098185    -13.57091546
  H     11.77495480      5.11844563    -11.87156116
  O     12.31501460      5.83532485    -12.19159809
  H     18.16012968     11.64120953    -16.50472176
  H     12.46182671      6.43814935    -11.44022362
          69
 Energy    -249.95422279130386     
  O     10.65751497     10.51943018    -14.17020911
  H     10.53682234      9.91560478    -14.91365650
  H     19.18835599      7.24446911    -14.58727801
  O     14.35443399      6.71301265    -15.17656226
  H     11.56148385     10.85286466    -14.23822687
  H     16.47569398     11.69707418    -15.02586921
  O     19.23702296      8.78528520    -15.39988250
  H     15.17562065      6.41170232    -15.59478442
  H     16.07318239     13.03871084    -15.68346554
  O     13.23209666      8.99852012    -16.27249301
  H     13.96226784      7.42022553    -15.70687205
  H     15.31117711      7.97384005    -14.29363620
  O     14.50264512      7.48387938     -9.34081053
  H     18.81225500      9.53096732    -14.95754779
  H     15.18612325      9.05187190    -13.16704367
  O     13.08346881      6.14912948    -12.81223977
  H     18.78265016      8.68632096    -16.24695639
  H     10.15024407      9.62487378    -12.75896396
  O     14.31521480     10.03782048    -11.92670785
  H     13.30384106      9.67183668    -15.58073500
  H      9.09308509      9.33552460    -11.66518086
  O     17.67411589      8.33173222    -17.72254866
  H     12.29450197      8.78157855    -16.35073595
  H     11.32837813      6.45710932    -13.49504957
  O     15.22232019      5.31788209    -11.12541968
  H     13.67743401      7.77636319     -9.75013081
  H     10.20679025      7.46483291    -13.16179126
  O     17.57163183     10.66482997    -14.10223620
  H     14.72383753      6.65834831     -9.78905723
  H     18.54068493     11.58581362    -10.75838941
  O     16.85231864      6.13396571    -16.11143168
  H     13.74069512      5.73569088    -12.24016277
  H     17.54170173     10.43245408    -10.93476784
  O     19.06233513      6.35966797    -14.19850201
  H     13.51566121      6.29080306    -13.66859388
  H     16.70701124      7.49215614    -12.72402342
  O     15.78107322     12.14194324    -15.54184289
  H     15.07190382      9.88664846    -11.34789916
  H     17.96994521      6.62153145    -12.71498342
  O     15.80827619      8.59633107    -13.75005660
  H     13.59859754      9.47252562    -11.60103943
  H     16.94276150      8.32350454    -10.91285191
  O      9.90514180      9.01050201    -12.04367469
  H     16.92033455      8.94357775    -17.64742553
  H     15.85808306      8.58019426     -9.85405295
  O     10.51715834      6.85120452    -13.83950848
  H     17.92176798      8.31597871    -18.64313884
  H     14.72344676      9.61416108    -17.19230666
  O     18.02666919     11.12203161    -11.41456618
  H     15.54128334      4.44617826    -10.90447251
  H     15.66504325     10.79710672    -16.90353168
  O     17.23388165      6.90422481    -12.15937736
  H     15.97799923      5.80799760    -11.49024262
  H     12.61822528      7.51711524    -11.70813787
  O     16.52899739      9.02514859    -10.39288903
  H     17.79909892     10.90243413    -13.19217395
  H     11.51425833      8.52830849    -11.28839067
  O     15.57117933     10.00403690    -17.44371690
  H     16.98248853      9.89504912    -14.05276415
  H     14.16420009     11.55206995    -14.75683405
  O     12.41526740      8.24161541    -11.09750855
  H     17.55426156      6.07571017    -15.45394066
  H     13.71797177     10.82985798    -13.46037830
  O     13.43389803     11.06589216    -14.35496811
  H     17.12864996      6.82509230    -16.72757685
  H      9.83959578      8.09215534    -16.68410481
  O     10.52312825      8.37857405    -16.08478060
  H     19.88465651      5.89184127    -14.31660478
  H     10.51635441      7.75993783    -15.33208308
          69
 Energy    -249.95362716147929     
  O     12.43311908     10.67337624    -15.97726518
  H     12.64551159      9.76016852    -16.21854850
  H     14.27691170      5.28695235    -13.86227520
  O     14.53008447      6.57423961    -12.44158847
  H     13.24871920     11.17312924    -16.09195173
  H     19.48916492      6.18817985    -12.51416669
  O     16.98415063     10.32436618    -11.41691706
  H     14.71060877      7.16968569    -13.18626246
  H     18.40057557      6.82040421    -13.41312151
  O     18.74301331      9.40531596    -15.94152108
  H     13.82276126      6.99322821    -11.93437685
  H     15.87512563     10.46268327    -17.07713146
  O     11.55132550      6.14266476    -15.27451659
  H     16.37841751     10.73832807    -10.78544878
  H     17.18292162      9.65814395    -16.96068890
  O     14.88055208     11.02831168     -9.77020046
  H     16.88019385      9.37193810    -11.28551099
  H     16.00518496      7.80547919    -14.76353367
  O     12.75865564      8.13607086    -10.95043953
  H     19.59017539      9.60258183    -16.33365696
  H     14.53630414      8.13594142    -15.22083270
  O     15.36197108     10.78217960    -13.61416969
  H     18.82542954      9.60707183    -14.99254940
  H     11.43163839     10.67139572    -14.58049977
  O     16.09904760      5.49764248    -16.59167591
  H     11.35072393      6.70352341    -14.50338857
  H     10.13093722     11.13772230    -13.88068398
  O     14.81404161      8.24126386     -8.96554018
  H     10.74535857      5.68477949    -15.49703462
  H     17.46199608      7.25320183    -11.34968820
  O     17.67371049      6.97026337    -15.00104911
  H     14.16128054     11.06860990    -10.41429579
  H     15.92607645      7.12601581    -11.46258686
  O     14.09055665      4.93165822    -14.74020194
  H     14.79970017     10.16596717     -9.34459271
  H     11.49715798      7.79074315    -12.34629938
  O     18.84196090      6.88778962    -12.54732705
  H     13.29148974      8.09917401    -10.14786986
  H     10.91426751      8.74013009    -13.40888124
  O     16.35782332      9.71910822    -17.45753750
  H     12.87613017      9.03201783    -11.30201409
  H     19.13666547      8.76881205    -12.93889441
  O     15.18253605      8.24191019    -14.51046887
  H     15.99172374     10.74920125    -12.88333775
  H     18.42709918     10.08876947    -12.61136853
  O     10.91409877     10.60871485    -13.75684902
  H     15.28812340      9.87380655    -13.94998538
  H     15.58057255      8.30248777    -18.11129775
  O     16.63434549      7.53755419    -10.94379649
  H     15.72048971      6.06621169    -17.27125448
  H     15.14979460      7.49053287    -19.35686580
  O     11.04206068      7.80707744    -13.19676935
  H     15.37749473      5.22802163    -16.00249064
  H     12.28587535     10.79436257    -12.51174307
  O     19.02766033      9.67731895    -13.24593738
  H     14.99067285      7.83596227     -8.12002498
  H     13.83187802     10.78454370    -12.58439884
  O     15.10465627      7.50381334    -18.40478805
  H     15.53028157      7.96450175     -9.56054781
  H     15.19407560     11.57353919    -15.17272913
  O     13.08399767     10.71298125    -11.97521007
  H     18.08249487      7.69209474    -15.49358198
  H     15.26604053     12.78298027    -16.13420829
  O     15.03261422     11.85920556    -16.08915167
  H     17.22703161      6.36874118    -15.61828678
  H     12.61610445      7.33588600    -16.18545384
  O     13.19528478      8.05459650    -16.46964252
  H     13.19043908      5.21669741    -14.93731508
  H     13.71261161      7.76601039    -17.23227704
          69
 Energy    -249.95341473076795     
  O     12.99459966     12.26797466    -14.31350131
  H     13.88315555     12.63851896    -14.34352245
  H     15.92110609     11.24613894    -17.27438937
  O     15.07987552      6.61621585    -13.45730605
  H     12.98587425     11.55752690    -14.97219308
  H     15.49628383      9.84672321    -13.70567895
  O     18.14549630      9.34207378    -11.81174394
  H     15.97003794      6.43756028    -13.13244678
  H     14.56836992      9.51971039    -14.92383633
  O     17.58002834      8.99787570    -15.88458677
  H     15.10870586      7.51880240    -13.81825698
  H     12.08236795     11.71131634    -12.97256582
  O     11.62008280      7.86228934    -15.65224641
  H     18.18055305      9.29917840    -10.84798460
  H     10.90481393     11.90523290    -11.98520267
  O     15.28297773      9.36939320     -8.71912175
  H     17.47123605      9.99634918    -12.04549544
  H     17.35792066      6.23304585    -10.61723225
  O     13.44778481      7.55158198    -11.44019223
  H     16.78929365      8.99869405    -15.32285223
  H     17.52639666      7.16241153     -9.39981634
  O     16.10328022     11.04808854    -12.46261843
  H     18.32738005      8.77084806    -15.32049728
  H     11.99618803      8.12479514    -12.44616610
  O     15.77102730      7.88286111    -17.76011348
  H     11.49956945      8.07342726    -14.70859322
  H     11.36370045      9.48979986    -12.78793897
  O     14.50091450      6.62230681     -9.00408070
  H     10.77775617      7.55163916    -15.97304374
  H     20.53408911      8.61214450    -13.96893328
  O     14.06965223      6.40307524    -16.10791418
  H     14.91708209      8.47677863     -8.68011562
  H     19.21145344      8.83869432    -13.21087099
  O     16.54430755     11.52548346    -16.59356087
  H     14.78588961      9.82853594     -9.40874818
  H     17.68975151      7.58600353    -12.17221793
  O     15.27058808      9.17368106    -14.35847652
  H     13.98963335      7.13516743    -12.12629207
  H     18.40721607      6.61795752    -13.09597342
  O     11.61393142     11.31203454    -12.21642058
  H     13.70042672      7.15594663    -10.59779195
  H     18.42007571      9.33878973     -8.28225795
  O     17.11748477      6.33656975     -9.68814374
  H     15.31297008     10.91832986    -11.91771547
  H     17.00319871      9.21626450     -8.89344513
  O     11.38351235      8.56279457    -13.05205065
  H     15.97894456     11.81358339    -13.03744926
  H     14.54169527     10.34512944    -19.31974731
  O     19.60156635      8.41130056    -13.99110383
  H     16.52706713      8.11640461    -17.20686545
  H     15.07450472      9.36944793    -18.24042640
  O     17.70480420      6.65453744    -12.44389561
  H     15.20277875      7.30361147    -17.23121685
  H     13.78563316      9.32829301    -11.19444813
  O     17.94503071      9.01354991     -9.04198369
  H     14.23162099      5.95007071     -8.38405863
  H     13.09458930     10.70947863    -11.29483792
  O     14.68463645     10.25312872    -18.38253179
  H     15.42407000      6.42882958     -9.24675048
  H     16.04247895     12.48731134    -15.23164630
  O     13.90213165     10.27066962    -11.00052451
  H     14.41040115      6.25100540    -15.21769094
  H     16.11165526     13.87067406    -14.54590407
  O     15.75462313     12.99187216    -14.44925816
  H     13.20597720      6.81444146    -15.98490727
  H     13.62031148     10.17765018    -16.89804540
  O     13.21230349     10.11897710    -16.02444314
  H     17.06385158     10.73671492    -16.38721212
  H     12.61656839      9.35866936    -16.01482998
          69
 Energy    -249.95264016306402     
  O     14.15291201      9.48152209    -10.61355649
  H     14.06422780     10.14872138    -11.30826416
  H     13.02435846      8.07042696    -10.41698979
  O     13.27273053     10.59405892    -16.66766860
  H     14.76903080      9.79935123     -9.94190468
  H     18.41379424      7.68157579    -14.55909553
  O     16.73512922     10.95576103    -13.36114873
  H     12.60219420     10.49886514    -17.34014704
  H     19.66959211      6.79087522    -14.60178660
  O     13.66369273      5.25074255    -13.79518604
  H     13.04540626      9.96925366    -15.96030599
  H     13.60232484     12.18613116    -15.61442460
  O     16.46903210      7.20982063     -8.58844056
  H     15.78291558     10.89013915    -13.21016613
  H     14.80869118     13.00807330    -15.13301988
  O     16.71113276     12.83601874    -15.36800519
  H     17.16281530     10.96680367    -12.49280787
  H     13.71989254      8.37384948    -14.64530568
  O     15.86839608      7.73414816    -11.97396326
  H     14.22267914      5.85777804    -14.29809451
  H     12.29498134      8.28427674    -14.05198020
  O     13.95900418     10.92783167    -12.94995413
  H     14.19728096      4.98695987    -13.03339157
  H     16.37417460     11.44224161    -16.65348972
  O     18.65370273      8.15980680    -11.51911095
  H     15.70819687      6.62740580     -8.70388271
  H     15.18068582     10.55172297    -17.03115033
  O     17.85239572     10.72679729    -10.88527479
  H     17.23124524      6.73653852     -8.94200913
  H     12.27374592      6.20004044    -13.33586896
  O     18.09854734      4.83724688    -12.20062338
  H     17.40201679     13.48833558    -15.28777893
  H     10.74352098      6.40490184    -13.22895069
  O     12.57450750      7.21351369    -10.39571886
  H     16.81382809     12.22620247    -14.61709686
  H     13.71492628      5.03642890     -8.40975229
  O     18.90547038      7.00132467    -14.06952924
  H     15.28813074      8.32334499    -11.47596315
  H     13.57120774      6.10637444     -9.51831747
  O     13.88022068     12.82286193    -14.94347531
  H     16.78096029      7.95974392    -11.75980923
  H     14.99563512      4.96393355    -10.70208940
  O     12.89260362      8.86856244    -14.53255178
  H     13.85621215     11.71592747    -13.50245745
  H     15.54601816      5.99069602    -11.69945023
  O     16.14280426     10.60435329    -17.07552279
  H     13.53563474     10.20471108    -13.43224658
  H     18.53965146      5.45450524    -10.62065991
  O     11.58119459      6.83332565    -13.07247918
  H     18.87680326      7.78999122    -12.38316873
  H     19.43908575      5.46390499     -9.36108841
  O     14.20603861      5.51732941     -9.07006722
  H     18.80374082      7.46626016    -10.86412138
  H     15.42017253      7.52796472    -13.67042072
  O     15.38586340      5.04065179    -11.58018472
  H     17.31096425     10.57119286    -10.10296992
  H     15.95166856      7.91034336    -15.05529104
  O     18.74216563      5.94217209     -9.80222450
  H     18.29018993      9.88170629    -11.06548843
  H     16.15161997     10.26090239     -7.83105070
  O     15.22603243      7.45140490    -14.61855834
  H     18.24353835      5.44840470    -12.93073337
  H     16.29953407      8.94686103     -8.63390020
  O     16.16212086      9.90801808     -8.71679071
  H     17.14052533      4.75051481    -12.08849723
  H     17.26858160      9.62762521    -14.51915202
  O     17.44049088      9.01701670    -15.25134755
  H     12.17963864      7.09440335    -11.26632014
  H     17.09820451      9.46399403    -16.03890175
          69
 Energy    -249.95254182275588     
  O      9.47795013    -12.16478710     -2.02565817
  H      8.75316009    -12.79822545     -2.14766971
  H      4.82562535    -11.91691324     -3.13661911
  O      4.37555415     -9.33704290      1.35966456
  H      9.50762745    -11.62567784     -2.82554373
  H      5.84162679    -11.98618063     -5.08701486
  O      8.77683587    -14.87310296      1.19723279
  H      3.84496061     -8.57417866      1.57721031
  H      4.49239766    -11.55496517     -5.71371666
  O      6.68066778     -9.42202662     -3.75556660
  H      3.80620775    -10.11681735      1.48917926
  H      8.27819875    -13.62981946      3.95406926
  O      5.42461733    -14.80450322      3.58929315
  H      9.53290188    -14.31780311      0.95204918
  H      8.75032575    -14.86579787      4.75756979
  O      5.86591945    -10.49166788      3.58878677
  H      8.73269821    -14.91628834      2.15930112
  H      8.26363151    -10.10976560     -4.10138455
  O      5.79526583     -9.65856253     -1.06128354
  H      6.34902153     -9.32712859     -2.85384408
  H      9.60056344    -10.01781684     -4.87370184
  O      7.38557154    -12.80738791     -5.06770731
  H      6.03933460     -9.97739738     -4.21673934
  H      4.47136682    -15.01673331      0.68656080
  O      6.92252589    -12.77025041      1.19197664
  H      6.37854758    -14.85020339      3.72098291
  H      3.91784153    -16.44619661      0.89279980
  O     10.66543541    -13.04249582      0.41374941
  H      5.23088384    -15.26714405      2.76502360
  H      7.41480280    -11.29600838      3.74001774
  O      7.00850964    -15.85860938     -0.68609860
  H      5.47023936    -10.03367038      2.83965019
  H      8.85897405    -11.43817042      3.15342197
  O      4.96323258    -12.07915625     -2.19586498
  H      5.21502795    -11.14447560      3.88069163
  H      9.36155664    -10.48811495      1.19075684
  O      5.03493054    -11.46043452     -4.93614733
  H      5.26376658     -9.47008639     -0.27825409
  H     10.50574364     -9.80824533      1.97840237
  O      8.26729989    -14.60305293      3.97829357
  H      6.67561543     -9.90102473     -0.73697052
  H      4.44825952    -12.97803681     -0.72073826
  O      9.08002262    -10.59362139     -4.32011833
  H      7.38863894    -13.31811249     -4.24553839
  H      5.27626000    -13.10801403      0.58190228
  O      4.68304245    -15.89663784      1.04456408
  H      8.06570059    -12.13209980     -4.95630520
  H      4.52924206    -13.38233372      4.03971965
  O      8.16432298    -11.90345478      3.63556225
  H      7.11727190    -12.44776237      2.07943205
  H      3.62759835    -12.73324016      5.11326186
  O      9.99801139    -10.61342335      1.91512814
  H      7.49689364    -13.53650508      1.05394427
  H      3.19650904    -11.94981703      2.70571193
  O      4.41999960    -13.32647304      0.18016213
  H     10.41567270    -12.77237964     -0.48070900
  H      3.34635474    -12.24788733      1.20515332
  O      4.05173938    -12.56733863      4.27551785
  H     10.60771590    -12.25040836      0.95897944
  H      7.66391291    -11.40594837      0.31265833
  O      2.97486234    -11.60938377      1.82994776
  H      7.72244541    -15.67822617     -0.05713087
  H      8.65566436    -11.10504206     -0.83726663
  O      8.15674411    -10.69042691     -0.11884275
  H      6.22491666    -16.00984831     -0.14708876
  H      6.46760720    -13.20358934     -2.28350256
  O      7.25232043    -13.74828073     -2.42408147
  H      5.21573494    -11.23201183     -1.80105348
  H      7.15233165    -14.54954081     -1.89034845
          69
 Energy    -249.95187632007747     
  O     11.26132704      8.55201573    -13.68633837
  H     11.16700468      8.87285614    -12.77020011
  H     17.09037338      8.14754017     -8.85569784
  O     18.93063034     10.48376899    -10.61244980
  H     10.39308888      8.57104333    -14.07885398
  H     16.16983047      6.62135219    -13.76774388
  O     18.55117298      8.47771996    -14.08465675
  H     18.52305792      9.81892446    -10.02736658
  H     17.55506017      7.13411003    -13.33817855
  O     17.32038733      4.92098216    -10.85881915
  H     19.31501138     11.14736134    -10.04587491
  H     14.19357291      7.32364821    -11.86822920
  O     13.20829275      9.00872482     -8.16136232
  H     18.11019923      9.25211608    -13.70294953
  H     15.73714817      7.37196462    -11.90804074
  O     12.96361217     11.11353122     -9.83100101
  H     18.22089204      8.38829101    -14.98599539
  H     11.08769844      8.61989427    -10.47022930
  O     14.95296582      7.22812694    -15.02105596
  H     18.13152187      5.32393568    -10.52570119
  H     11.68750054     10.01613904    -10.74144217
  O     15.15515722      4.60694616     -9.27717700
  H     17.15670092      5.34404196    -11.71240519
  H     16.76057330      9.25966948    -16.27115133
  O     16.12799729     10.70340126    -15.51713503
  H     12.49404956      8.40130121     -8.39224408
  H     17.34624986      8.44016631    -17.44758538
  O     19.62276998      6.35104346    -10.02026581
  H     14.01933869      8.48554894     -8.21568378
  H     14.83661698      9.47307337    -11.67247082
  O     15.39390148      7.38248356     -8.76564287
  H     13.09687215     10.40683819     -9.17257270
  H     14.17086727     10.79008549    -11.19463596
  O     17.96922273      8.48309191     -9.07044677
  H     12.76302147     11.90863671     -9.34516784
  H     19.82601223      8.25248197    -12.73251381
  O     16.84627569      6.52892670    -13.08386722
  H     15.63573222      7.44288966    -15.66828779
  H     19.95190554      9.07589927    -11.44349287
  O     14.96284255      7.73911656    -11.45988997
  H     14.54869175      8.07679191    -14.78570267
  H     16.41072125     10.66893367    -12.52198388
  O     11.13369231      9.32740210    -11.12643182
  H     15.24239403      3.78431644     -8.80333673
  H     17.90207983     10.73307724    -12.13796219
  O     17.08844842      8.37912704    -16.53186147
  H     15.93293689      4.67540642     -9.86047088
  H     13.52176181      5.07805351    -10.12818087
  O     14.73345293     10.41525703    -11.88187010
  H     16.59931811     10.89684697    -14.69671932
  H     12.77894893      5.53558861    -11.41723135
  O     20.24274443      8.25528732    -11.86089706
  H     15.22069472     10.49407624    -15.25627409
  H     14.03326973     10.02292429    -13.50903058
  O     17.30370819     10.68636036    -12.89505594
  H     20.42477598      6.01697223     -9.62695579
  H     12.83321628      9.40631657    -14.26572281
  O     12.66922078      5.37229366    -10.47212587
  H     19.89530830      6.96687394    -10.72365915
  H     12.33513865      7.07217630    -13.28575266
  O     13.74517953      9.70046445    -14.37583480
  H     15.21713303      7.56362898     -9.70268028
  H     13.64192201      6.45054166    -13.81807289
  O     13.02852357      6.43295549    -13.07307649
  H     15.33215294      6.42350553     -8.68915967
  H     10.49481911      6.83173207     -8.74412011
  O     11.21535230      7.26149490     -9.19697296
  H     18.50806195      7.70973093     -9.27814314
  H     11.73065601      6.55906463     -9.63226521
          69
 Energy    -249.95178201372644     
  O     13.64818638      9.69590008    -17.05339277
  H     12.73562184      9.48399938    -16.80281537
  H     17.31192065      5.91502706    -16.97632737
  O     16.30976172      7.96923277    -12.24424596
  H     13.78308176     10.60149239    -16.74815191
  H     17.81249880     10.49740174    -11.24822193
  O     14.72104100     11.89175976    -11.11226413
  H     16.15579972      8.63277889    -12.93644655
  H     17.87104292     11.79237001    -12.07816364
  O     16.25440565     13.15915241    -14.94228219
  H     16.39535132      8.47618437    -11.42832098
  H     17.35664278     10.39052877    -16.56612385
  O     14.45641597      7.45977304    -15.58195803
  H     14.21055466     11.65580418    -11.90042558
  H     18.37390967     10.51236656    -15.36446119
  O     10.92751399      9.22929280    -10.55200460
  H     15.40622529     12.50057112    -11.41485302
  H     16.31962315     10.13922683    -14.78496586
  O     13.78519410      7.03706989    -12.92080788
  H     16.83029652     12.47672784    -15.31781659
  H     15.28497778      8.96531802    -14.79606436
  O     13.47004145     11.08475656    -13.44328948
  H     15.38604315     13.00706574    -15.33054799
  H     10.43242395      8.54620633    -16.15511524
  O     18.16295163      7.26169110    -14.24729527
  H     14.10581546      8.12825531    -16.18632385
  H     11.30570435      9.01261226    -14.98130108
  O     12.88817758      7.14141642    -10.22312990
  H     15.24668980      7.07885504    -15.98788575
  H     14.59386643      8.01298751     -7.68386252
  O     19.50804768      9.75648014    -14.06755818
  H     10.10365786      9.35723137    -10.08984089
  H     13.99872220      7.93082552     -9.10866431
  O     16.93912705      6.70418343    -16.59344444
  H     11.58048307      9.81654952    -10.12991770
  H     16.59064034     13.32203560    -13.25517057
  O     18.31061942     10.94382654    -11.94336637
  H     13.90925128      6.99676243    -13.87934123
  H     17.15628942     14.22402957    -12.13353235
  O     17.62739866     10.93172198    -15.80882886
  H     14.65377085      7.28226787    -12.56849981
  H     15.79715525     10.51915194    -10.49244700
  O     15.64042921      9.69117937    -14.26688821
  H     12.78832567     10.40993659    -13.33703177
  H     15.86925044      9.34658849     -9.49058184
  O     11.19240390      9.08261962    -15.94178533
  H     14.28320187     10.61803148    -13.70102987
  H     13.44415170     10.02027907     -8.92775661
  O     14.53348236      8.48318478     -8.51109019
  H     17.59110251      7.30845277    -13.47006847
  H     13.47196853     11.23493637     -9.87747060
  O     16.80660826     13.35378364    -12.30568814
  H     18.70817836      8.05770847    -14.21238120
  H     15.52595055      9.41329715    -17.66749203
  O     16.37600429      9.81470565    -10.16572775
  H     13.15650556      6.92769760    -11.12554263
  H     16.66786772      8.39241506    -17.44472081
  O     12.88077182     10.67772656     -9.35450100
  H     12.12312245      7.72384456    -10.30599476
  H     11.33174841      9.04423000    -12.33592122
  O     16.48411698      9.30655432    -17.69609030
  H     20.44922616      9.88686682    -13.98695680
  H     12.43265866      8.25194565    -13.09387560
  O     11.73941770      8.91962469    -13.20248112
  H     19.10144721     10.16650252    -13.28231983
  H     12.92594417     12.88793396    -16.10742360
  O     13.66765773     12.33230127    -15.87869223
  H     17.42138530      6.87032629    -15.76299627
  H     13.48548249     11.97388280    -14.99326614
          69
 Energy    -249.95150110094798     
  O     -0.94798732      0.77160670      3.45103382
  H     -1.01256442      0.07863391      4.10266264
  H     -2.92090914      6.02217284      1.38772142
  O     -2.49683998      3.61763115     -4.04542851
  H      0.00210898      0.91873237      3.29501225
  H     -2.89404928      4.81228821     -2.54799394
  O     -3.94250034      4.75373056      2.37341378
  H     -2.99695527      3.63538086     -4.85762962
  H     -3.30917116      4.47253611     -1.09545450
  O     -1.77439296     -0.29585550     -1.34086595
  H     -2.85757231      2.88357094     -3.51620115
  H      3.51307495      3.99266560      4.12093994
  O      0.34601469      3.34693001     -3.45936685
  H     -3.29273509      4.25898102      2.90425688
  H      3.13371084      4.09899893      2.62311692
  O      0.11418046      7.25390159      1.65198001
  H     -4.64848318      5.00076532      2.96486333
  H      0.04751701      3.70763302      1.60343755
  O      1.68424791      1.21659906      2.93917280
  H     -0.93608675      0.07690082     -1.67305851
  H     -0.73685287      2.57104944      0.85784103
  O     -3.52291475      1.71551020     -2.39112153
  H     -1.77366843     -1.22205125     -1.56451138
  H     -4.06641861      3.70433365      0.82203081
  O      2.04838816      1.44657627      0.14509173
  H      0.18264550      3.87680448     -2.66137491
  H     -3.24700239      2.48147796      0.38634295
  O      0.51421513      0.82845506     -2.14157939
  H     -0.49953019      3.36724613     -3.91941683
  H     -1.74109333      2.52809382      3.75645103
  O      3.56878597      4.63611531      1.06331798
  H     -0.76993484      7.04023452      1.30250825
  H     -1.23544239      3.98057436      3.66105392
  O     -2.39185850      6.57796665      0.80173944
  H      0.05275120      8.13332138      2.01669809
  H     -1.72590446      0.94089326      1.78113691
  O     -2.96846371      5.18309987     -1.66010589
  H      2.10120874      2.04181573      3.21403626
  H     -1.90069965      0.62337631      0.24584888
  O      2.81745339      3.80333150      3.49743467
  H      1.89799092      1.11742229      2.00160436
  H      1.15623674      4.55369220      3.31182500
  O     -0.00600463      3.19881915      0.78540479
  H     -3.83905870      2.15170997     -1.58991578
  H      0.29568379      5.68627569      2.64917957
  O     -3.86330795      3.15274213      0.05668080
  H     -2.98065552      0.97424026     -2.09520131
  H      1.11342364      5.82055781     -0.82509325
  O     -2.03345197      3.44522349      3.78180054
  H      2.84003877      1.86978827     -0.21036997
  H      1.46097279      6.82023515      0.25982366
  O     -2.02074507      1.29337985      0.93199159
  H      1.40890250      2.14769949      0.34763840
  H     -0.18487463      4.25640148     -0.54394080
  O      0.25962186      4.81496797      3.06382501
  H      1.11383795      0.95393587     -1.39471456
  H     -1.18739068      5.06624472     -1.41866470
  O      1.86615465      6.30086553     -0.44376777
  H      0.51748103      1.64935952     -2.64919922
  H      5.04252696      2.50082608     -1.39903729
  O     -0.25313800      4.86178427     -1.29891151
  H      3.93783489      4.01738286      0.42245303
  H      3.79108563      3.37610020     -1.64884487
  O      4.23775281      2.81069693     -0.99330327
  H      3.01365495      5.24428885      0.55736189
  H      2.59800543      5.23832934     -2.10494165
  O      2.87071333      4.47942911     -2.63185356
  H     -2.63657417      6.31801525     -0.09377772
  H      2.08386362      4.14111934     -3.07813731
          69
 Energy    -249.95051456700492     
  O     16.12284655     11.82327897    -12.34530198
  H     16.67172368     11.05823758    -12.12856227
  H     12.57802124      7.94176617    -14.20911482
  O     17.79998463      7.99563610     -8.03307946
  H     15.79759438     12.14705229    -11.49670828
  H     14.55502643     13.09572045     -9.36242739
  O     15.33809932      5.56360024    -11.86579701
  H     18.42249355      7.99866431     -8.77064969
  H     14.00826419     12.02932090    -10.34020714
  O     11.96692122      4.98312286    -10.42456417
  H     17.16295150      8.69897377     -8.21547812
  H     13.84099306      9.91711662    -14.74169615
  O     17.88742163      5.41503839    -10.64859027
  H     14.60241239      5.20535018    -12.37640802
  H     14.61764581      8.62318991    -14.47058703
  O     16.87170236      5.44627529     -7.96256581
  H     15.01035456      5.67202090    -10.96048392
  H     20.22127732      7.57402149    -10.65662559
  O     17.31100295      9.49076119    -11.32474270
  H     12.23415430      4.82736543    -11.33763327
  H     18.84059305      6.87526884    -10.60760134
  O     10.83568924      8.95888572     -8.72242764
  H     12.78135803      5.13616533     -9.92741730
  H     14.08794372      6.63762854     -8.98545079
  O     15.84753184      9.82494589     -8.94179890
  H     17.09584721      5.36391665    -11.19948238
  H     15.18458687      5.56739028     -8.71828860
  O     13.50074844      8.74485363    -11.50981076
  H     17.58851397      5.26413766     -9.74289421
  H     12.97433381     11.60797700    -12.40504009
  O      9.83596578      6.57259570     -9.93947797
  H     17.15662480      5.00505003     -7.16708502
  H     11.82102527     11.26632315    -11.37747656
  O     12.10405120      7.46214857    -13.51433529
  H     17.18613138      6.36649860     -7.90302743
  H     10.43743006      7.95812987    -12.80482833
  O     14.79349790     12.30214331     -9.83498092
  H     16.79265012      9.56297729    -10.51042998
  H      9.71469726      7.63692357    -11.47602974
  O     13.87292799      8.98238754    -14.97477160
  H     18.09010798      8.96291786    -11.11066715
  H      9.31888149     11.14168026    -10.99721011
  O     19.29777469      7.72579742    -10.47658471
  H     10.61820591      9.62250757     -9.38561867
  H      9.98517166      9.84229090    -11.50459802
  O     14.39488524      5.75478489     -9.23958518
  H     10.45978612      8.13240009     -9.05463798
  H     12.57868860      5.76151558    -13.34659572
  O     12.76507540     11.45240720    -11.47386842
  H     15.55219882     10.72610358     -9.11835932
  H     12.65590438      4.30424898    -13.85945771
  O      9.75615973      8.27681637    -12.19929367
  H     15.04613493      9.30008631     -8.79992004
  H     14.00365385     12.41590468    -14.64118045
  O     10.15124329     10.67755670    -11.03099875
  H     13.29990571      9.68888655    -11.52406880
  H     14.78822533     11.75051630    -13.48686022
  O     12.90206370      4.86962560    -13.13206273
  H     14.28651217      8.59207745    -12.05220966
  H     13.52826441      8.40575198     -9.81419571
  O     13.95440489     11.71986830    -13.99063417
  H      9.14442470      6.02447273     -9.57783668
  H     12.61740843      8.56511723     -8.58715121
  O     13.51822231      8.32996104     -8.84510891
  H     10.59903024      5.98834860    -10.09536146
  H     15.66687103      7.15001060    -12.70293065
  O     15.70977600      8.05016804    -13.05508978
  H     12.45465158      7.82880537    -12.68800506
  H     16.36189770      8.53375642    -12.53023801
          69
 Energy    -249.95042624881717     
  O     12.65852287     11.31904651    -15.98418365
  H     11.94054434     10.95727967    -15.44120027
  H     18.32656456      9.33711543    -12.82789920
  O     15.43363675      7.76959468    -13.20842213
  H     12.93495738     12.15891757    -15.59783677
  H     15.63698662     10.47657633    -17.24769529
  O     16.41971585     11.55771074    -11.10773499
  H     15.17071178      8.56979443    -13.69093481
  H     15.85543474     10.40626198    -15.72491088
  O     16.34925840     13.08690542    -15.18538970
  H     16.08505430      8.05112121    -12.55386502
  H     13.92756108     10.30725510    -14.92414839
  O     13.53365358      7.73111570    -16.57348226
  H     15.56122503     11.77242873    -11.50384658
  H     14.64971908     10.77608263    -13.64817069
  O     12.53546304     10.10518825     -8.93439728
  H     17.08190331     11.97015430    -11.67446091
  H     11.02576429      9.16240451    -14.46300084
  O     12.87373337      7.57012953    -12.27284427
  H     16.44599186     12.33828738    -15.78731536
  H     11.17270727     10.23477984    -13.36271962
  O     14.06964575     12.01697435    -12.39884330
  H     16.98377606     12.94138012    -14.47245863
  H     15.90390327      8.84623925     -8.75979783
  O     16.04020300      6.86405258    -15.77153614
  H     13.67526916      8.46477852    -17.17871803
  H     16.55342971      7.57504007     -8.15894060
  O     13.32475311      7.57514196     -9.48933193
  H     14.40985346      7.37248477    -16.36686775
  H     10.98944444      6.67936708    -15.08893389
  O     18.24671987      8.70743000    -16.11742401
  H     11.94493008     10.14715046     -8.18685137
  H     12.26613262      7.48374599    -15.42300518
  O     18.73522872      9.84637072    -13.53961597
  H     12.76597139      9.16546643     -9.05918838
  H     18.44894408     11.53292680    -13.31598360
  O     16.30672980     10.59778053    -16.56328079
  H     13.80022567      7.54669064    -12.55667567
  H     19.03289021     12.92699886    -12.98633348
  O     14.70132331     10.14006349    -14.37222478
  H     12.34946781      7.38597809    -13.06133441
  H     16.90934764      9.78377417    -11.27447508
  O     10.93031406     10.10812402    -14.28865768
  H     13.81357841     12.65053894    -13.07944482
  H     16.96276333      8.41748361    -10.55315008
  O     16.13954290      7.91851855     -8.94647542
  H     13.30632011     11.46474274    -12.17391356
  H     14.42342454     10.55299051     -8.77135424
  O     11.55651447      7.37376179    -14.76411734
  H     15.87887479      6.98146034    -14.82440815
  H     15.75646318     11.00901959     -9.42567921
  O     18.21284561     12.45825375    -13.11925508
  H     16.84567463      7.36078444    -15.95119044
  H     12.12426641     10.28443165    -10.74566155
  O     17.19263432      8.86329585    -11.37751089
  H     14.28109250      7.52138539     -9.37466421
  H     12.40465261      9.31020248    -11.91337852
  O     15.38359380     10.51341528     -8.68463724
  H     13.14081922      7.41303894    -10.42465204
  H     14.68425603     13.48052368    -14.89323287
  O     12.11327114     10.21116444    -11.70813275
  H     18.91047807      8.66667608    -16.80185227
  H     13.54889866     14.53306853    -14.81849461
  O     13.73615282     13.60564263    -14.70208828
  H     17.62280456      9.40788521    -16.37309580
  H     13.56474019     10.36957731    -18.92282642
  O     13.96004121     10.18263013    -18.07552503
  H     18.60921154      9.35318766    -14.35817021
  H     13.41797559     10.63704136    -17.40547200
          69
 Energy    -249.95039448732996     
  O     -2.11867775      4.20021742      4.76090128
  H     -1.75154235      3.43297803      5.21626100
  H     -2.29566733     -4.89327386      3.33639244
  O      0.83002050      2.30442413      1.00571643
  H     -1.72269801      4.20255651      3.87839209
  H     -0.04933577      3.03575364     -2.35468410
  O     -1.68357461     -0.00292218      3.89562744
  H      0.57664210      2.39369029      0.07978009
  H     -1.12394172      3.14397127     -1.24640468
  O     -4.00560172      0.63124497     -0.07085285
  H      0.68097424      1.37665918      1.23295266
  H     -3.83857962      4.21808035      4.91317149
  O     -1.74574358     -2.61209319     -1.31716187
  H     -2.19400722      0.64849362      3.38628290
  H     -5.11646394      4.86821082      5.49599441
  O     -0.09190502     -0.31815316      1.58669256
  H     -2.25202124     -0.78089355      3.95273592
  H     -3.26230451      3.90241131     -0.30224603
  O     -5.35974493     -0.75898626      5.65185655
  H     -4.34205698      1.51203586     -0.27494957
  H     -1.96064544      4.14600486      0.49444739
  O     -6.43214441      0.32784033      3.20381751
  H     -3.13903166      0.50878573     -0.48236649
  H     -5.46146824      3.35501608      3.46687674
  O     -1.36300439      1.72041008      5.99697683
  H     -1.64270468     -1.64926218     -1.24713009
  H     -6.00907229      2.00852162      2.86454236
  O     -1.40202382      0.09294530     -0.83043680
  H     -1.52965888     -2.84487154     -2.21701424
  H     -1.87927560      3.00969028      2.22613126
  O     -5.03328326     -1.41066041      1.46665043
  H     -0.54874497     -0.20794274      2.42947749
  H     -0.40837907      3.32514661      1.85996230
  O     -2.28790390     -4.13648647      2.75558501
  H      0.00752948     -1.27261479      1.45285449
  H     -5.29965315      3.19626728      0.90655981
  O     -0.43297948      2.56659403     -1.61905696
  H     -4.94249060      0.08128933      5.91450675
  H     -5.81705628      3.63564259     -0.47990755
  O     -4.79990195      4.10057905      5.02727792
  H     -5.89510423     -1.04225486      6.38816656
  H     -4.10428008     -1.75209872      2.98199587
  O     -2.32070535      4.08006181     -0.40128899
  H     -6.10820220     -0.31142397      2.55500991
  H     -4.21663950     -1.67648294      4.52442936
  O     -5.61112543      2.86775911      2.64722346
  H     -6.18558127     -0.03065259      4.06394959
  H     -3.23463451      1.63607266      6.30312610
  O     -1.23297541      3.72952308      2.16689889
  H     -0.59381771      1.53516272      6.52956496
  H     -4.49706103      2.43298638      5.91619080
  O     -5.05817587      3.26913817     -0.03247302
  H     -1.37222218      1.06410471      5.27978917
  H     -3.18727694     -3.31958064     -0.27179151
  O     -3.65037483     -1.98636237      3.80648751
  H     -0.96726875     -0.02312067      0.02844095
  H     -3.32451762     -3.96344603      1.11922448
  O     -4.19844455      1.59198223      6.28130465
  H     -1.03802741      0.89591579     -1.22496587
  H     -0.85343217     -3.44536560      1.70892973
  O     -3.83614144     -3.63222937      0.37117209
  H     -4.73053134     -0.70177534      0.88195240
  H     -0.66896202     -3.02225059      0.24067311
  O     -0.23668168     -3.01512258      1.10345941
  H     -4.77294911     -2.23990361      1.04025104
  H     -3.93791058      2.10201492      2.61913517
  O     -3.10867238      1.69015801      2.34733314
  H     -2.75371471     -3.42236327      3.22133731
  H     -3.29940154      1.25217487      1.50863798
          69
 Energy    -249.95017000496478     
  O     -4.29541132      4.56916212      2.14814153
  H     -3.67547804      4.78676064      2.86159452
  H      1.36679861      4.29546451      3.25798176
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  H     -3.91886465      3.51391854     -1.98342190
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  H     -4.48934187      3.06590434     -3.34897559
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  H     -0.28891899     -3.38122436     -1.11203989
  O      1.04449290      1.72933749      4.93311109
  H     -1.96736941      2.66264524     -2.91349935
  H     -0.55782936     -2.59269118      0.19162912
  O      1.25641977      5.58117081      0.21197861
  H     -0.77339170      1.78815088     -2.48699888
  H     -3.97211119      2.76001130      1.79503530
  O     -1.13483687      3.22239392      1.03919560
  H     -3.70261618      1.28797183     -1.61023512
  H     -3.28638940      1.39967077      2.20952432
  O     -1.70117414      2.53219527      4.90671744
  H     -3.55779959      1.08395442     -0.08359278
  H     -2.68144045      5.49333575      5.09113786
  O     -3.44817004     -2.03037661     -0.12683004
  H      1.59279616      1.57546944      5.69754469
  H     -2.24297144      4.12318874      4.52313673
  O     -2.48919652      0.29785174      3.37816332
  H      1.47658999      2.42995372      4.41104542
  H     -1.66245411      0.33485875     -1.23905501
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  H      1.87683815      4.84859031      0.30816838
  H     -0.62826091     -0.80628118     -1.33325996
  O      2.09299847      3.67436851      3.41117358
  H      0.85541440      5.69714846      1.08276440
  H     -0.46617113      4.45250583      2.13865168
  O     -3.89729876      2.80362952     -2.64926978
  H     -1.16178657      3.76101866      0.23459420
  H     -0.87005575      5.37051984      3.29256295
  O     -0.69667403     -2.58925712     -0.77254067
  H     -1.98725409      2.78450706      1.13922336
  H     -2.81221623      4.99695603     -0.91415035
  O     -3.58298172      1.94187044      1.46430760
  H     -0.76441019      2.31919849      4.99835885
  H     -3.88984564      4.78146539      0.17791250
  O     -2.53880106      5.01927023      4.27600013
  H     -2.10658829      1.75190514      4.50788288
  H      0.39083489      0.90335746     -0.22417991
  O     -0.73260493      0.14771595     -1.43542441
  H     -2.59114342     -2.31727624     -0.46444515
  H      0.14470231      2.07755217      0.74338605
  O     -0.14144108      5.17930168      2.69532299
  H     -3.58261562     -1.13811730     -0.47506864
  H     -0.14417506     -1.71069678      2.31384130
  O     -3.74648358      4.77783557     -0.77262966
  H     -1.54826260      0.21610752      3.16209588
  H     -1.43810015     -2.54494564      2.26424379
  O      0.79468654      1.39814870      0.50083513
  H     -2.87857953     -0.57061238      3.21599082
  H      2.19753198      2.50217811      0.56085025
  O     -0.53000594     -2.51458113      1.94001258
  H      0.60057582      0.52355208      3.59555495
  H      3.63963629      2.94951864      0.23148054
  O      2.85005177      3.20903830      0.69951076
  H      0.51670183      0.46799425      2.04167844
  H     -0.85085349      4.16694798     -1.83166843
  O     -1.01591622      4.86352355     -1.17823104
  H      2.49659044      3.52295999      2.54870043
  H     -0.17120090      5.20436856     -0.85255009
          69
 Energy    -249.94991632070762     
  O     11.36018752     10.38252799    -15.11242825
  H     11.08387755      9.77071560    -14.41911891
  H     15.92580381      6.68580032    -16.17412491
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  H     11.78599521     11.13496487    -14.68447407
  H     18.52878525      8.66466153    -13.35389516
  O     16.22699364      9.72318904    -10.90071321
  H     16.85565592      7.01461059    -14.02948407
  H     18.81256483      7.74864750    -14.57673740
  O     16.94678876     10.89409148    -14.97236433
  H     15.43057530      6.48814466    -13.61996418
  H     15.69695493     12.15840533    -15.57176866
  O     13.08179516      6.52874142    -17.10626052
  H     15.54044771     10.14624306    -11.43574739
  H     14.81461696     12.12018864    -16.82375378
  O     14.60391192      8.15348539     -9.31146055
  H     15.75034185      9.26077311    -10.19551890
  H     14.21741312      9.22312270    -15.44361514
  O     14.10417041      6.25822731    -12.39562164
  H     16.19123699     10.29879871    -14.83748018
  H     15.17519595      8.31075738    -14.60682188
  O     14.12230513     10.62570698    -12.47835688
  H     17.48018634     10.84686625    -14.17205789
  H      9.71958311      8.02199987    -13.18212329
  O     17.05813058      9.47558815    -17.35997899
  H     14.05146800      6.60302574    -17.16809212
  H     11.10075100      7.59423463    -13.73441342
  O     15.56485850      5.53123416    -10.11624967
  H     12.80995433      5.89995452    -17.76942386
  H     17.99765608      7.16242022    -11.93667370
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  H     13.81495416      8.25306825     -9.86162464
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  H     14.86589668      7.22961414     -9.39949428
  H     12.47230130      6.34990967    -15.30572168
  O     18.50500251      7.74928849    -13.65909035
  H     13.65686732      7.04906117    -12.06232639
  H     12.82163669      6.14275497    -13.80444795
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  H     19.02693186     10.81873657    -12.09070198
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  H     13.69865143     11.41093881    -12.84156153
  H     17.62086114     10.20844488    -11.89655526
  O     10.62180265      8.31399976    -13.28342463
  H     14.33049617     10.06620997    -13.24471358
  H     14.41741904     11.10485580    -19.18239434
  O     17.49181135      7.13457588    -11.11602105
  H     16.38372331      9.94020378    -17.86946639
  H     14.12307477     10.31508147    -17.88471959
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  H     17.15701058      9.99646366    -16.54879000
  H     13.15098573      9.30628850    -11.70584872
  O     18.31658420     10.38069871    -12.55325596
  H     16.33661161      6.02188062    -10.45509494
  H     11.89201473      8.44100564    -11.91124666
  O     14.77962753     10.88080997    -18.32911744
  H     15.90352992      4.79479896     -9.61530719
  H     13.59653649     12.60522890    -14.77288144
  O     12.70911939      8.50033065    -11.40180558
  H     18.46845032      8.38513190    -16.82527939
  H     12.60225524     13.47898049    -13.97463390
  O     12.90822265     12.58256057    -14.08408187
  H     19.11989247      7.00348881    -16.91953623
  H     12.37037031      9.68364241    -16.34845367
  O     13.07008000      9.32045036    -16.91460354
  H     16.16759186      7.75401671    -17.25662193
  H     12.92068248      8.37523228    -17.03487903
          69
 Energy    -249.94989795003949     
  O     18.20989497     10.16641577    -10.65012624
  H     18.58684444     10.63584938     -9.89812803
  H     14.23303634      7.82100197     -6.88512504
  O     14.31683536      5.33330130     -8.95744173
  H     17.80849209      9.36921306    -10.26682190
  H     17.25338053      6.57280770    -14.18837858
  O     18.97856119     10.91568358     -8.03001721
  H     15.02103895      5.23674870     -8.30531698
  H     17.57486975      7.76607474    -15.10972351
  O     12.76625994      7.34815757     -8.01311719
  H     14.73026886      5.65598520     -9.77030446
  H     14.97815963      7.30411933    -11.55313513
  O     15.80402497     10.98270126    -11.73388827
  H     19.46316184     10.06840849     -8.01490225
  H     16.02957545      7.17845710    -10.42742226
  O     19.34763807      8.53271455    -12.55572763
  H     19.54489458     11.56095488     -7.61645820
  H     19.02131255      9.83325243    -15.82887462
  O     21.03069471      7.43605502    -10.55958532
  H     13.25558683      6.59210285     -8.38361085
  H     17.78230925      9.94356843    -14.90674568
  O     17.91645331      6.13210464    -12.41342434
  H     11.93565659      7.00669661     -7.69185386
  H     15.57798493     10.02432445    -14.74416307
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  H     16.69141245     10.75134941    -11.42371738
  H     16.07358129     10.93978871    -13.60283360
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  H     17.60419776      7.51265883     -8.86638646
  O     14.52668539     11.61801841     -9.26997938
  H     19.20384713      8.87071440    -13.44776738
  H     16.63032424      8.72146621     -8.67667898
  O     15.06870480      7.88532408     -6.40504913
  H     19.01290282      9.20099339    -11.94063997
  H     19.74630650      7.75981385     -7.84110954
  O     16.93303094      7.06106794    -14.95585782
  H     20.64779778      6.55464806    -10.48860252
  H     20.64120907      8.28033478     -8.96437419
  O     15.54350798      6.66831571    -11.09610726
  H     20.60646881      7.83619785    -11.32979728
  H     16.09197168      4.92288670     -6.00361190
  O     18.57460331      9.41094733    -15.10037474
  H     18.38516555      6.98027852    -12.43883989
  H     15.85193281      6.33239094     -6.59323042
  O     16.24813959     10.68105886    -14.51692210
  H     17.05307382      6.27639388    -11.99743163
  H     14.13709279      8.61330284    -13.19702112
  O     16.99350974      8.10473364     -9.32517915
  H     13.19402999      9.16308623    -10.67139661
  H     14.73979810      9.51206632    -12.08773707
  O     20.23950975      8.53997134     -8.12249922
  H     12.85242404      8.76464217     -9.20895853
  H     19.73219569      4.11884338    -10.64118976
  O     16.22162977      5.45153949     -6.78691460
  H     17.17473432     10.49882658     -7.63953799
  H     18.87265563      5.29793285    -11.14391938
  O     14.13957103      8.76841148    -12.24445485
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  H     18.85287087      5.69556716     -8.76083879
  O     19.41294024      4.98483231    -10.39953255
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  H     17.83955945      5.84514906     -7.56972159
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  H     14.00501835     12.38585030     -9.05220097
  H     15.36730260      7.84411317    -14.98754135
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  H     15.45936772      8.73441431     -6.64619075
  H     14.03986392      8.12900419    -15.73024143
          69
 Energy    -249.94973748090226     
  O      1.79279724     -0.97010347      5.37816368
  H      1.29496482     -0.21141017      5.02350462
  H     -4.70965725     -0.46023529      3.58174714
  O      2.26765287     -0.07499044     -2.41140009
  H      2.31382750     -0.64128967      6.10631013
  H     -1.42071863      0.88223730      0.05727110
  O     -0.72611614     -2.30613276      5.87288470
  H      2.87880088      0.13171198     -1.68176647
  H     -1.95332915      0.43875000      1.43216078
  O      0.05287157      0.05770783     -0.67219644
  H      2.59974829      0.36941942     -3.18628764
  H     -3.10330546     -0.40904084      5.49443217
  O      2.00505118     -2.77701711     -1.45077690
  H     -1.30372821     -1.54327747      6.02522115
  H     -2.21196379      0.81125311      5.77844764
  O      3.92676581     -2.41931419      0.67922620
  H      0.16522630     -1.95506168      5.78202203
  H     -0.98400351     -0.14275588      3.42253990
  O     -3.48451133      2.43773054      2.68753891
  H     -0.20936716     -0.87024738     -0.59178361
  H     -2.42470308     -0.73198992      3.28632886
  O     -3.80586540     -3.44910764      2.88418702
  H      0.71850075      0.10007850     -1.36874650
  H      0.31665637     -2.85679239     -0.83082213
  O      0.38837553      0.99039825      4.13384041
  H      2.67939972     -2.76227054     -0.76081184
  H     -0.38281132     -2.87769351      0.55919859
  O      3.77194181      0.30466618     -0.17391088
  H      2.11336990     -1.94761080     -1.93266737
  H      2.23143549     -1.66225861      3.70148403
  O     -5.68495340      0.61433955      2.42557502
  H      3.37975851     -2.29380308      1.47287671
  H      1.39114565     -2.36601133      2.60421816
  O     -4.06676004     -0.99851764      4.05809469
  H      4.64514237     -2.99524833      0.92889124
  H     -2.43952796      2.51210515      4.07122203
  O     -2.13829360      1.02985386      0.68470692
  H     -3.00033214      2.14613237      1.90253877
  H     -1.94748542      3.34683405      5.27382968
  O     -2.38809273     -0.09023366      6.06544118
  H     -4.31277646      1.94391505      2.67480819
  H      1.80436977     -0.23900319      1.99423247
  O     -1.57723470     -0.62338953      2.83320194
  H     -3.06231931     -3.85936233      3.34314166
  H      0.99823472      0.47499229      0.87502290
  O     -0.52435409     -2.68893259     -0.38096043
  H     -3.56360481     -3.38304818      1.95302639
  H     -1.48600841     -5.18197467      4.85648872
  O      2.22914716     -1.90737919      2.76808262
  H      0.74938788      1.13278178      3.24749605
  H     -1.26768865     -3.65177334      4.94048361
  O     -1.81840264      2.51768763      4.82112409
  H     -0.28148309      1.65790244      4.33133383
  H     -0.60095560     -3.60942956      2.95046316
  O      1.57221969      0.63013078      1.63809642
  H      3.98886051     -0.59724746      0.09610474
  H     -0.75608842     -2.14057671      2.48705633
  O     -1.51232064     -4.38137613      4.34049964
  H      3.14752927      0.62794881      0.48800831
  H     -2.30156760     -2.93660689     -0.18618037
  O     -0.25708056     -2.95848910      2.32734297
  H     -5.33408658      0.19610588      1.61784060
  H     -3.57881238     -3.71315099     -0.55718793
  O     -3.23095508     -3.07124422      0.05859474
  H     -6.62219767      0.72572043      2.29415037
  H     -3.68056595      0.09766575      0.25482722
  O     -4.45807860     -0.47800626      0.27645642
  H     -4.10379762     -1.89560159      3.69201433
  H     -4.12054978     -1.37626034      0.18843169
          69
 Energy    -249.94946768485340     
  O     11.87528149     10.25171630    -15.01878339
  H     12.43245843      9.64993784    -15.53180646
  H     20.79405017      7.78714730    -14.45382802
  O     16.20744496      6.49247033    -12.88613684
  H     12.34391643     11.09358435    -15.00655855
  H     14.45754641     10.22083941    -17.02312319
  O     17.42721328     10.79804785    -11.92047616
  H     15.50300932      6.52248843    -12.22491121
  H     15.83572848     10.91847966    -17.04045740
  O     17.65819340     10.51315279    -16.92451627
  H     16.96957824      6.95734441    -12.51271121
  H     15.75274965      7.99210972    -13.83105673
  O     13.30611016      5.89482587    -15.87898912
  H     17.39349328     10.91545315    -10.96290801
  H     16.59608126      8.72446365    -14.87447688
  O     14.63673460      9.76317039     -8.82620668
  H     16.53414331     10.96879496    -12.25277794
  H     11.29364136      9.43969475    -13.62648057
  O     14.14471587      6.88497325    -11.09296375
  H     18.22663858     10.94875772    -17.55535299
  H     10.11272842      9.03971991    -12.70701326
  O     14.90947550     10.99680321    -13.04304966
  H     18.02967252     10.69992401    -16.04380339
  H     18.06607040      7.92196871    -10.12512175
  O     17.99301138      7.83706823    -15.98700978
  H     13.00859079      6.06956446    -14.96777787
  H     17.69645788      8.98193416     -9.07597647
  O     15.35967206      6.98550579     -8.56474074
  H     12.75513345      5.19348107    -16.21571182
  H     13.01460735      6.43624554    -12.56024481
  O     16.17725660      5.81223742    -15.62674967
  H     14.07909860      9.77800717     -9.61609567
  H     11.91346718      7.27632997    -13.22273923
  O     19.98088007      8.20800404    -14.18907384
  H     14.76511940      8.83139693     -8.61101288
  H     18.34241296     10.94473439    -13.57693428
  O     14.88560751     11.08694059    -17.06106395
  H     13.88896618      7.81596701    -11.16931820
  H     19.32924013     10.02702237    -14.31916398
  O     15.77358987      8.78911023    -14.37833173
  H     14.50157471      6.77725863    -10.20291607
  H     17.94041933      9.02167845    -11.97851333
  O     11.05191861      8.93312989    -12.82944287
  H     14.50162682     11.61455243    -13.66079781
  H     18.97154399      8.06778634    -12.63089377
  O     17.78183706      8.02960905     -9.20751757
  H     15.19956204     10.22910193    -13.56271127
  H     17.27942257     11.47777249     -8.44707455
  O     12.47985997      6.50734069    -13.36033246
  H     17.33633386      7.12512561    -16.04235869
  H     16.19725677     10.52030973     -9.00068655
  O     18.75508744     10.79389186    -14.43662324
  H     17.78197071      8.54644238    -16.60288256
  H     12.46929961      9.39924738    -11.72386484
  O     18.27663262      8.11359987    -11.96326138
  H     16.26299025      7.28266165     -8.77688945
  H     13.84206628     10.11070342    -11.87743490
  O     17.11432830     10.82629773     -9.12321830
  H     15.42932935      6.41308427     -7.80579036
  H     13.53480618     13.39379951    -15.32317119
  O     13.31664205      9.55204343    -11.28763889
  H     15.23370286      5.77137417    -15.81897559
  H     14.13421349     12.06118150    -15.83511680
  O     13.67978047     12.48310983    -15.08286251
  H     16.23783599      5.85365994    -14.66133362
  H     13.52388294      7.69251212    -16.35812404
  O     13.76278243      8.62533172    -16.31106825
  H     19.31317885      7.98382774    -14.86271975
  H     14.44851232      8.67893603    -15.62860795
          69
 Ord_Energy   -249.949219    
 O   -3.26786351      0.734945357       2.10216713    
 H   -3.46142602     -0.214503855       2.15183377    
 H   -3.48388386       1.09118807       2.97214246    
 O   -5.44111252      -5.21294975       1.93774009    
 H   -5.88415337      -4.35622215       2.03587484    
 H   -5.96815348      -5.85334110       2.43203855    
 O  -0.180185527      -1.23841929       3.79811692    
 H  -0.299503595     -0.768171608       2.95299053    
 H   0.683073938      -1.00293016       4.12645674    
 O   -6.45397091      -2.70458317       2.43187189    
 H   -6.58757067      -2.65051794       3.38934779    
 H   -6.86764526      -1.92302990       2.04539227    
 O   -1.11614347      -4.37504053      0.188708961    
 H   -1.21374571      -4.07498503       1.10950565    
 H  -0.568739414      -5.15596867      0.208409965    
 O   -4.05438852       1.29222155       4.73286533    
 H   -4.95278406      0.935162723       4.60692263    
 H   -4.14271402       2.07048893       5.27606440    
 O   -5.26171780      -5.19952202       7.42413902    
 H   -5.13171577      -5.06082964       8.35859299    
 H   -4.80667830      -4.47092056       6.96827030    
 O   -7.60740232      -4.95887899       5.75527382    
 H   -7.45247221      -5.59331274       5.04584312    
 H   -6.92160892      -5.12933397       6.41385221    
 O  -0.687189639      -5.43796308E-02   1.41719472    
 H  -0.783635616     -0.583989739      0.618531168    
 H   -1.54367328      0.369340390       1.57476234    
 O   -6.49285412      0.223373994       4.30392122    
 H   -6.65181208     -0.640656769       4.70779276    
 H   -6.84060860      0.170588031       3.40613031    
 O   -1.04361963      -1.79600275     -0.890052021    
 H  -0.484438270      -1.73666215      -1.66186202    
 H   -1.00034070      -2.71555400     -0.583368957    
 O   -3.99160385      -4.53902626     -0.424688756    
 H   -4.48928452      -4.87178612      0.334086597    
 H   -3.05834150      -4.66186523     -0.220365450    
 O   -3.80891585      -1.98325193       1.97192585    
 H   -3.83100104      -1.94906449       1.00492179    
 H   -4.70156622      -2.21796966       2.25340533    
 O   -6.66469955      -2.44745493       5.16161919    
 H   -7.17508268      -3.23950195       5.38320875    
 H   -5.75179720      -2.64213538       5.41705751    
 O   -2.57469273      -1.06157160       5.41144466    
 H   -3.03202796     -0.235321268       5.21310902    
 H   -1.75546622      -1.05398417       4.90427876    
 O   -3.88838887      -1.82916248     -0.817372143    
 H   -2.94697285      -1.70787668     -0.990440667    
 H   -4.05385876      -2.78536868     -0.825962663    
 O   -4.59714937      -7.08225870       5.38492298    
 H   -4.78423691      -6.59364748       6.19627428    
 H   -4.00654316      -6.51258230       4.87125063    
 O   -5.23765659      0.487946332       8.23172927E-02
 H   -4.55526066      0.778603792      0.702167809    
 H   -4.85854149     -0.263537496     -0.392871946    
 O   -4.09353447      -3.29125357       5.81972599    
 H   -3.52598333      -2.50988460       5.74527884    
 H   -3.83939815      -3.90604234       5.11828995    
 O   -6.77704430      -6.91594315       3.75921416    
 H   -6.01516962      -7.08203793       4.34284830    
 H   -7.23040295      -7.74870825       3.65563655    
 O   -3.37015009      -5.11669922       3.81693602    
 H   -4.04432821      -5.13647413       3.12246275    
 H   -2.61558652      -4.62700987       3.46715927    
 O   -7.37720537     -0.200131059       1.59215176    
 H   -8.18433475      0.118217483       1.19722569    
 H   -6.64837027       8.75145718E-02   1.01424336    
 O   -1.56845140      -3.37116766       2.66787434    
 H   -2.37530804      -2.86859798       2.46298766    
 H  -0.978918910      -2.76312184       3.12845731    
          69
 Energy    -249.94920954431521     
  O     13.00825814      9.91779800    -11.00915862
  H     13.73690492     10.19652712    -10.44111733
  H     15.10956009     14.64723774     -9.04693775
  O     12.42635792     12.11721342    -12.51601752
  H     13.21035890      9.03282815    -11.33518246
  H     11.60438611     12.79513559    -11.12525750
  O     14.97874288     10.86708763     -9.30568047
  H     13.23623075     12.45839096    -12.91028497
  H     10.24197350     12.58405042    -10.45720757
  O     15.89944450      7.70133077    -10.98923314
  H     12.66343708     11.29357815    -12.05907113
  H     12.58415752      8.43625735     -7.23003344
  O     14.48360882     15.50058571    -12.52779949
  H     15.17320093     10.06960013     -8.79863650
  H     12.68269039      7.06676302     -6.51538673
  O     11.62279442      6.89400876     -9.77339621
  H     14.29659757     11.37925863     -8.84868367
  H     11.24313318      9.82529826     -8.10218299
  O     14.88830317     12.88254884    -13.49436175
  H     15.03708570      7.41848841    -11.32858908
  H     12.20440125     10.84833915     -7.47214416
  O     16.16592329     14.48595149    -10.43068390
  H     15.78830086      7.84962087    -10.04472292
  H     14.62713370      8.00047969     -7.86076008
  O     10.55633700      9.48735364     -9.76022700
  H     13.76020203     15.47849245    -11.87641824
  H     16.13871155      8.07673708     -7.55055536
  O     12.63456739     15.39704853    -10.52269937
  H     14.45676820     16.36207924    -12.93567637
  H     15.95991924     11.52587246    -10.64358879
  O     14.60076927     10.10925701    -14.27172659
  H     12.11711464      6.96027729     -8.94915140
  H     16.76932234     11.06886801    -11.87811418
  O     14.42776864     14.77772772     -8.36343756
  H     11.06094991      7.68169180     -9.78952124
  H     10.87009858      9.75528987    -13.68545800
  O     11.08545350     13.03118441    -10.33829006
  H     15.45100086     12.54397661    -12.78174462
  H     11.03052354     11.21801071    -13.27842825
  O     13.00550698      7.55704594     -7.26694958
  H     14.78314931     13.82769699    -13.32608947
  H      8.01765384     11.36983174    -11.39816577
  O     11.82649104      9.97070550     -7.34244890
  H     15.72587704     14.90836725    -11.17882989
  H      9.36642752     10.97098158    -12.03966959
  O     15.47815031      8.33106392     -8.19092282
  H     16.43188626     13.61066780    -10.74070179
  H     13.13086023      9.12437504    -14.26525355
  O     16.45413559     11.85230410    -11.41076556
  H     11.39255337      9.68874772    -10.20902503
  H     12.25224513      8.16427242    -15.09372806
  O     10.36289206     10.53053719    -13.42262907
  H      9.88085196     10.02652608    -10.18564740
  H     17.73322575      9.05246983    -13.15241562
  O      8.94594105     11.26223755    -11.21022438
  H     11.95545812     14.71367136    -10.46025227
  H     16.61503099      8.79102793    -12.11528823
  O     12.34733218      8.54669558    -14.22449080
  H     13.16767741     15.30697464     -9.72310461
  H     12.66707527      7.01218717    -11.23895279
  O     16.95066930      9.43505345    -12.76469370
  H     15.39556343      9.80247929    -13.81828514
  H     12.88399551      7.53442407    -12.71305600
  O     13.32916059      7.27557843    -11.89688211
  H     14.63656145     11.07151878    -14.22185907
  H     13.41488822     13.23813545     -8.17226087
  O     12.91638592     12.41737959     -8.27728674
  H     14.80146054     15.36411792     -7.71118005
  H     12.23988978     12.59064492     -8.94765447
          69
 Energy    -249.94919193116149     
  O     11.97538409      9.74523160    -16.49307255
  H     12.63768705      9.06436875    -16.67178194
  H     15.62922911      5.49134998    -15.07357893
  O     15.73537452      7.15861797    -12.41921912
  H     11.40743829      9.38781768    -15.80009448
  H     19.99233978      9.78440179    -11.39608802
  O     15.24239446     11.61936174    -11.33832765
  H     16.14737353      7.81166302    -11.83789563
  H     19.12660124      9.73901354    -12.67631128
  O     17.83303284     12.19404149    -15.13363493
  H     14.81971143      7.07585406    -12.11936167
  H     16.59339656     11.56474236    -16.39064124
  O     13.79265689      5.40636716    -15.70858496
  H     14.50851379     11.48887089    -10.72238851
  H     15.11954608     11.56689011    -16.87049050
  O     13.07056822     10.73029618     -9.87321664
  H     14.86166866     11.57364806    -12.22813230
  H     15.50971103      8.32528143    -13.77091791
  O     13.14789413      7.33163387    -11.43866649
  H     18.36960492     12.93315792    -15.41199771
  H     16.31565199      8.80988186    -14.99255009
  O     14.11750495     11.18350486    -13.80574835
  H     17.71489996     12.29314889    -14.17272500
  H     10.96371752      7.72138911    -14.19773786
  O     17.68673737      7.93811555    -15.95918005
  H     13.86134110      6.26828095    -16.15355863
  H      9.57062596      8.38324226    -14.32125310
  O     14.49266842      8.30113814     -9.13501739
  H     13.53501020      4.77234697    -16.37397701
  H     12.32957076      6.46794357    -12.91392324
  O     19.10627187      9.72241086    -14.40507789
  H     13.42854629      9.92762698     -9.47638237
  H     12.55973030      5.92792511    -14.35253540
  O     16.50027670      5.75186725    -14.75311591
  H     12.58261818     10.44184563    -10.65651303
  H     18.26450202     11.60118699    -12.08326513
  O     19.09667811      9.87092706    -11.71093231
  H     12.81313116      8.17882685    -11.77125324
  H     16.86881279     12.23938073    -11.96085883
  O     15.99989934     11.22943203    -17.07448215
  H     13.48633073      7.50927721    -10.55282277
  H     17.49111426      9.37591468    -10.97012892
  O     15.49269725      8.95017595    -14.50795619
  H     14.65974996     10.42884061    -14.08595599
  H     16.10032998     10.05381729    -10.96831924
  O     10.50570330      8.56600865    -14.36113269
  H     13.83893225     11.63711688    -14.60828817
  H     16.19238625      9.72419128    -17.88479302
  O     11.90294300      6.32482168    -13.76873815
  H     17.31217127      8.10083034    -16.83196128
  H     16.52291797      8.93491564    -19.17646944
  O     17.71715597     12.32138702    -12.41727177
  H     17.34138827      7.09418377    -15.62798700
  H     12.79883894     10.27875020    -12.91426232
  O     16.56458902      9.23560556    -10.73651068
  H     14.77131447      7.99549437     -8.27534317
  H     11.49158241      9.45555161    -13.02867661
  O     16.26226949      8.82840021    -18.26621398
  H     15.29422694      8.59381628     -9.59957511
  H     12.85096233     12.78927126    -16.69929072
  O     12.16362902      9.75577067    -12.40529950
  H     18.75204246      9.02141581    -14.96891877
  H     12.80995648     11.26135234    -16.44825224
  O     13.36184660     12.05996938    -16.35934137
  H     18.74345383     10.54813670    -14.74712590
  H     14.49540870      8.29579246    -15.88163733
  O     14.11933562      7.94211003    -16.70268658
  H     16.34928261      6.09655383    -13.86212732
  H     14.76005982      8.15377185    -17.39321275
          69
 Ord_Energy   -249.949005    
 O   -3.11225867       2.24982786      -2.33079767    
 H   -2.42836165       2.74778318      -1.85914254    
 H   -2.94422960       2.36958742      -3.27330875    
 O    3.14357901     -0.446935147      -4.65949997E-02
 H    2.61474991      -1.24613643     -0.151931494    
 H    2.98216510       6.75873831E-02 -0.849620759    
 O    2.69251442       1.32374322       1.96683669    
 H    3.51856542       1.61695302       2.34264040    
 H    2.91069770      0.636416197       1.31143904    
 O   0.515678108      0.243752286       3.47393703    
 H  -0.223490939      0.857751489       3.39089823    
 H    1.27320850      0.670489013       3.05288386    
 O    1.82319570       2.65393829      -4.41579580    
 H    1.12180853       3.25483251      -4.10482693    
 H    2.39516711       3.16418433      -4.98211002    
 O   -4.12541580      -2.04506087     -0.349939406    
 H   -4.56849623      -2.64122963     -0.948104918    
 H   -3.54446554      -1.48409641     -0.890889883    
 O   -1.87249959       1.73953032       2.70054078    
 H   -2.16236854       2.61149192       2.40783000    
 H   -1.62795973       1.26399601       1.89123774    
 O   -1.19022989       3.76830935     -0.922065794    
 H   -1.70690227       4.00263643     -0.141714394    
 H  -0.388007641       3.33667016     -0.594610929    
 O  -0.199626595      0.685234845      -4.96136999    
 H   0.570586741       1.26379120      -4.89272261    
 H   -8.70581791E-02   5.25046978E-03  -4.28634930    
 O    1.24813724      -2.55467153     -0.525382280    
 H    1.45746648      -3.48546791     -0.543143213    
 H   0.804948509      -2.38609648      0.324815929    
 O    2.07988930       1.00177741      -2.19680548    
 H    1.39054167      0.345196933      -2.37519288    
 H    2.13097048       1.57896936      -2.96828365    
 O   0.122007400     -0.948475957      -2.61863351    
 H  -0.789078295     -0.779938161      -2.33890080    
 H   0.488895148      -1.58150268      -1.98884046    
 O   -4.63099289       2.66450262       3.08623500E-02
 H   -4.90732241       1.80857193      0.389993876    
 H   -4.30151653       2.50040889     -0.860625923    
 O    1.00648081       2.33504581      -4.20514718E-02
 H    1.59121072       2.17065048      0.707597136    
 H    1.42558002       1.94281948     -0.822664022    
 O   -2.42171717     -0.324382961      -1.62848043    
 H   -1.93630075      -8.16725567E-02 -0.822019577    
 H   -2.76634741      0.507486284      -1.97894633    
 O   -2.65090537      -2.36506343       2.07531524    
 H   -3.17117190      -2.36390948       1.26245105    
 H   -3.03834057      -1.68422246       2.63968420    
 O  -0.288873434       4.13887310      -3.59410191    
 H   -1.01217163       3.74205995      -4.09583855    
 H  -0.583126783       4.17024946      -2.67492056    
 O   -2.21751428       2.51410556      -4.96443796    
 H   -1.55475128       1.80165052      -5.00509501    
 H   -2.62034202       2.56738329      -5.82667542    
 O  -0.930429876      0.408335030      0.484110236    
 H  -0.219968155       1.03114748      0.283228815    
 H  -0.548805177     -0.364631861      0.920698225    
 O   -3.71703315     -0.136580572       3.51309681    
 H   -3.07987618      0.568404973       3.31094933    
 H   -3.92597389      -6.11470416E-02   4.44068241    
 O    4.39829007E-03  -1.87710893       1.79105687    
 H   0.250721216      -1.27176750       2.50547171    
 H  -0.912209988      -2.16102338       1.93807065    
 O   -2.81521344       4.07556629       1.39960313    
 H   -3.19821382       4.88684559       1.72173381    
 H   -3.52919912       3.58841252      0.944635689    
 O   -5.22835970      0.184384018       1.10060453    
 H   -4.96890259     -0.594458401      0.595171750    
 H   -4.83039904       7.37671778E-02   1.97249961    
          69
 Energy    -249.94900454372566     
  O     11.27796062     10.50576413    -11.15135359
  H     12.15178541     10.75738088    -11.47628885
  H     16.11954217      6.43995584    -17.00013329
  O     13.22693349      7.63909973    -15.19079482
  H     10.71665751     10.41129961    -11.93133828
  H     15.41863295     11.89074397    -14.66411870
  O     18.15622157      8.90570942    -16.68971129
  H     12.79026327      8.49646415    -15.10220527
  H     16.15376557     12.99109370    -13.85902754
  O     12.29961392     10.16936078    -14.61242147
  H     14.07054110      7.73047712    -14.71656590
  H     15.30803321      8.09899524    -12.78303331
  O     15.47041409      5.28455140    -10.40406326
  H     19.04608745      9.16070071    -16.91966628
  H     15.98072114      7.05844339    -13.74607209
  O     12.58717744      5.87522554    -13.11236013
  H     17.99181307      9.23979402    -15.79238508
  H     10.28095349      8.32565138     -9.06958918
  O     15.05788721      8.70118984    -11.08452707
  H     11.37879529     10.10527834    -14.33154842
  H     10.99220460      9.04998012    -10.23952679
  O     15.56517222      9.59537806    -17.69870354
  H     12.82054286     10.36829427    -13.82046692
  H     18.25316685      7.41898787    -11.83729658
  O     14.88959515      4.16836919    -12.98887975
  H     15.34852261      4.78705891    -11.22083882
  H     18.39755859      8.27016144    -13.11951525
  O     17.46443844      9.70157252    -14.14601695
  H     14.62551408      5.73114617    -10.25461299
  H     10.25981159      7.42380704    -11.54644359
  O     14.38851272      6.97011377    -17.57850913
  H     13.29190314      5.21544152    -13.11629877
  H     10.85427015      6.64526982    -12.74001356
  O     16.98773213      6.29858461    -16.60303476
  H     12.74524465      6.44992680    -13.87489918
  H     17.04885103      5.71391961    -14.94835616
  O     15.92726023     12.06523172    -13.84867905
  H     14.35718351      8.08693199    -10.81892731
  H     17.69968265      6.06572498    -13.56351672
  O     15.45764530      7.87009221    -13.70943722
  H     15.88057431      8.37914652    -10.69673583
  H     16.72594804      6.49727286    -10.24569207
  O     10.80289393      8.17575181     -9.85273807
  H     16.48347832      9.41514666    -17.46409736
  H     17.76449784      7.21967064     -9.35468834
  O     18.60403671      7.40902771    -12.73731520
  H     15.14028752      8.73289751    -17.76924527
  H     14.80589913     10.83614975    -16.63568493
  O     10.13257019      7.23222611    -12.48440670
  H     14.95076544      3.24253911    -13.21161885
  H     13.59935812     11.06243218    -15.68555639
  O     16.99691711      5.55577005    -13.99196562
  H     15.66925432      4.60010523    -13.38055107
  H     12.33640564      7.23139356    -10.17227669
  O     17.30969143      7.27562467    -10.19109791
  H     16.71912712      9.08532949    -14.07078683
  H     12.90632695      6.50949409    -11.42775947
  O     14.43385922     11.44522637    -15.98103754
  H     17.08927797     10.57715247    -13.99556786
  H     14.28501092     10.14407402    -11.84210127
  O     13.12811958      6.81742166    -10.53663161
  H     13.88986644      7.16418326    -16.76702867
  H     14.53704485     11.35882540    -12.76349551
  O     13.83922642     10.84370109    -12.34099788
  H     13.77679241      6.56573446    -18.18827582
  H      9.86210759      8.81402625    -13.19814107
  O      9.78173014      9.74314637    -13.47881019
  H     17.46129748      7.13491263    -16.69498128
  H      8.87571405      9.87516086    -13.74389349
          69
 Energy    -249.94762782929598     
  O     17.68177617      8.03432642    -11.81813467
  H     18.05323092      7.92044269    -12.70176528
  H     13.06095757      8.56821561    -13.87825115
  O     12.90657848     11.79918607    -12.29429774
  H     18.17032674      8.73085466    -11.35497240
  H     17.41694057     11.00823620     -5.91734449
  O     18.45255483      7.87169622    -14.50270507
  H     13.25475715     11.56716091    -11.42156511
  H     17.77704920     10.02637610     -7.05899651
  O     11.62518029      9.53777241    -13.04005897
  H     13.66785175     12.13019131    -12.78710326
  H     14.74660430     10.30042829    -10.98473629
  O     15.87617874      6.70135677    -10.21448224
  H     17.60644412      8.04149287    -14.95649983
  H     14.07913550      9.89436009     -9.65822873
  O     18.75710237     10.13814666    -10.41821508
  H     18.89776156      7.18833144    -14.99630781
  H     18.97440517      9.23388957     -8.77401748
  O     19.77350527     11.94036920    -12.30150943
  H     12.06123145     10.37232878    -12.79003852
  H     18.43023909      8.04341394     -7.93590992
  O     16.72848367     11.70814182     -9.30130891
  H     10.86805428      9.77591119    -13.56918251
  H     16.09060286     12.72000549    -12.83274691
  O     11.68098155      7.70852650    -10.89927051
  H     16.52255915      7.11914420    -10.80201551
  H     15.54643914     11.29647707    -13.09591791
  O     16.12805680      8.55213225    -15.70172561
  H     16.35076822      6.49212453     -9.40044753
  H     16.56332067      7.10485995     -7.30711314
  O     13.82866183      6.18148947    -12.11041180
  H     19.23601507     10.72520079    -11.01626384
  H     17.39981528      5.81159658     -7.15016561
  O     13.87888881      8.09538580    -14.06874252
  H     18.02765261     10.66089262    -10.05325203
  H     16.30667083      9.12282275    -12.24099766
  O     17.08232187     10.62160225     -6.72237708
  H     20.61542896     12.35335559    -12.47273106
  H     14.95811444      9.10419278    -13.01131192
  O     14.33583746     10.66263461    -10.18273991
  H     19.49743300     11.50902380    -13.13016621
  H     18.15848589     10.98329346    -15.02583341
  O     18.85176269      8.90885854     -7.87220414
  H     16.82218321     11.48377195     -8.36777212
  H     18.88979069      9.71821510    -14.54064124
  O     15.50123419     12.21334207    -13.41070803
  H     15.84445594     11.41500329     -9.56632936
  H     16.32117072     12.02474270    -16.51992777
  O     17.21784112      6.53224846     -7.74753005
  H     10.78548412      7.42332627    -10.73118924
  H     16.08066029     11.78163597    -15.01162019
  O     15.52006940      9.64352338    -12.44078828
  H     11.63406171      8.36632901    -11.61011269
  H     14.51039054      7.69515281     -9.49179324
  O     18.93481946     10.68183198    -14.53916045
  H     15.29296512      8.34482960    -15.26201655
  H     12.99507640      8.00979135     -9.57394667
  O     16.47045458     11.39852785    -15.81639576
  H     16.15002775      9.50975133    -15.82228521
  H     18.17586126     12.92725677    -11.85410448
  O     13.79375639      8.18891464     -9.06421349
  H     13.05942159      6.53165657    -11.64580945
  H     17.10588995     12.89478250    -10.74864529
  O     17.30270171     13.26404078    -11.61946062
  H     14.55634402      6.20752025    -11.47497807
  H     15.81432889      9.15369322     -6.70563925
  O     15.39813368      8.28434381     -6.75049370
  H     13.89765745      7.32001711    -13.48480296
  H     14.71520770      8.32976790     -7.43334457
          69
 Energy    -249.94657427166683     
  O     15.82672303     12.11432692    -14.35055493
  H     15.42173208     11.86362599    -13.50377279
  H     13.31435032      7.71082167     -9.55258497
  O     17.07110588      5.43522000    -16.16830969
  H     16.16784726     12.99924996    -14.24084753
  H     14.70265804      9.55744739    -13.23365866
  O     12.78672421      7.22810725    -12.63030668
  H     17.64782785      5.02565181    -16.80711094
  H     15.70257932      8.41689338    -13.50030095
  O     14.28451351      4.95933429    -15.77193431
  H     17.06642201      6.39044644    -16.36532077
  H     17.78943445      9.43507201    -14.05972749
  O     13.41630036     11.31469849    -15.70350423
  H     13.53883165      7.71085947    -13.01137917
  H     17.17218803     10.69997349    -14.70409175
  O     16.93895412      8.06654150    -16.66142182
  H     12.06284690      7.27591482    -13.27351614
  H     10.99240319      8.68785637    -14.67984663
  O     12.98499767      9.46399898     -9.20569644
  H     14.24537187      4.74469517    -14.83222711
  H     11.40735862      7.37872158    -15.40789849
  O     17.26089767      5.21966774    -10.52040096
  H     15.21905594      5.07992209    -15.98194013
  H     11.93049445     10.91343863    -14.90617639
  O     14.22901403      8.77220114    -16.41743479
  H     14.22416661     11.69727541    -15.34437036
  H     10.41478550     11.18406971    -14.76186199
  O     14.52895275      4.31618281    -10.15857670
  H     13.68797176     10.48876623    -16.13021741
  H     14.34619678      4.48165835    -12.04310961
  O     17.04074892      5.39533422    -13.37106120
  H     17.35335485      8.75170103    -16.11872566
  H     13.70603925      5.61121126    -12.87797365
  O     13.60190095      6.90677137    -10.00794034
  H     16.01925053      8.33959966    -16.76870592
  H     13.07198079      5.98997236    -16.44685606
  O     14.79623738      8.70382975    -13.67380924
  H     12.51287019      9.79156737     -9.98130786
  H     12.08685074      6.26890051    -17.60666305
  O     17.81155061      9.99366839    -14.84822800
  H     13.84782111      9.89543859     -9.21879432
  H     12.19911994      9.03456862    -12.03945775
  O     11.01768454      7.72717211    -14.59520425
  H     16.43460061      4.75795228    -10.33186283
  H     11.62509231     10.29544617    -12.69926386
  O     11.11995329     10.62193237    -14.45157679
  H     17.38425046      5.15631274    -11.47658501
  H     17.04302037      8.10038743    -11.86658214
  O     14.30026350      4.85147267    -12.93335146
  H     14.42161563      8.70236677    -15.46949360
  H     17.37036378      7.15740987    -13.04305098
  O     12.43368620      6.63705000    -16.79837621
  H     13.59860945      8.07424206    -16.63079108
  H     13.67574896     10.83753714    -12.00800096
  O     12.05735290      9.97746880    -11.89454515
  H     14.13737874      3.71004716     -9.53455632
  H     15.04938880     10.90278961    -11.28247106
  O     17.32745564      8.09056654    -12.78884059
  H     14.16249612      5.19531289     -9.96320003
  H     16.30624818     10.79162853     -9.02206192
  O     14.60724103     11.07002167    -12.12463691
  H     16.09999020      5.22166005    -13.22725022
  H     16.02962377      9.46526263     -9.76702377
  O     15.71122957     10.37545560     -9.64069591
  H     17.18206762      5.33081590    -14.32439595
  H     16.79283253      6.93320974    -10.17135663
  O     16.29362736      7.76321645    -10.17247176
  H     13.23964984      6.95911970    -10.90406595
  H     15.36340621      7.50179309    -10.14573883
          69
 Energy    -249.94635068414294     
  O     12.89176958     12.53511354     -8.11280861
  H     12.41957606     12.54546595     -7.28400890
  H     11.32951535     13.62423292    -13.28893696
  O     11.32790497     10.66538840    -14.86498997
  H     12.22294354     12.46674799     -8.81453397
  H     16.00811399     13.33251658    -16.11855241
  O     14.22197030     10.29422955     -9.40696860
  H     11.15431734     11.55445667    -14.52011129
  H     17.03602868     13.56766675    -17.25278051
  O     17.92222655     12.92236177    -12.31173796
  H     11.55090999     10.77175043    -15.79828423
  H     13.00749726     14.81441888    -11.68471889
  O     11.26368033     12.23394569    -10.29908382
  H     13.49538198      9.93602713     -9.93042720
  H     13.19195176     13.39718665    -12.27551816
  O     12.06991188      9.70018026    -11.23472250
  H     13.82660458     10.96790490     -8.83963891
  H     11.67362492     13.76196961    -15.44747794
  O     13.59277912      9.74667958    -13.53615684
  H     17.33872222     12.53023738    -11.63896255
  H     12.28869440     13.04566931    -16.66341370
  O     14.33441553     16.00264716    -11.12711930
  H     18.78057890     13.01557624    -11.90492007
  H     15.00445274     12.18049434    -12.03822360
  O      9.80321545      9.34937716    -12.94495752
  H     11.66874046     12.91672798    -10.85493554
  H     14.15804873     11.37334413    -13.06652167
  O     14.84785616     13.92928050    -14.97494253
  H     11.57155048     11.37661823    -10.62721742
  H     17.35577315     11.82586198    -15.32799422
  O     14.86769203     10.71685963    -17.19698978
  H     11.22712535      9.43643512    -11.62235071
  H     17.66307136     11.79464274    -13.81268449
  O     10.71440228     13.21116875    -13.91134417
  H     12.70386569      9.64811570    -11.96556336
  H     11.95901547     11.10791736    -18.32885029
  O     16.64007903     12.88924893    -16.71290438
  H     14.33334380      9.44203322    -14.07488704
  H     13.18500111     11.04961720    -17.38555571
  O     12.52344401     14.03573759    -11.98096060
  H     12.86254779     10.00425934    -14.11712350
  H     16.48063063      9.85602526    -14.80456243
  O     12.35757294     13.84300415    -16.12544106
  H     14.32643072     16.95383793    -11.06342967
  H     16.37203681      8.33706836    -15.08238510
  O     14.42661868     12.26341557    -12.80768394
  H     15.04847934     15.76960865    -11.74756446
  H     15.81499446     12.77815104    -10.04529462
  O     17.50107208     11.23302806    -14.57950591
  H     10.28874614      9.72723548    -13.69704163
  H     15.55532060     11.25808203    -10.19280747
  O     12.23491133     11.26059318    -17.42925904
  H      9.28498911      8.62615257    -13.28931318
  H      9.61502599     12.12857178    -11.33661957
  O     15.85998081      9.13986558    -15.03379612
  H     14.75183265     13.29807511    -14.24617898
  H      9.10026556     11.06235310    -12.31455033
  O     16.05436594     11.99627898    -10.56853086
  H     13.98106942     14.00724649    -15.39917175
  H     15.77644465     14.93575750    -13.70954437
  O      9.01923953     11.99589754    -12.08552155
  H     15.48508858     11.45802637    -17.15859148
  H     16.86804798     14.51435587    -12.70772782
  O     16.23618488     15.21506595    -12.90580277
  H     15.17978007     10.08223946    -16.54123202
  H     14.76144216     14.79845907     -9.70559991
  O     15.07433999     14.08764303     -9.13333453
  H      9.97298475     12.89520405    -13.37574782
  H     14.29713277     13.68031058     -8.72969947
          69
 Energy    -249.94616560014254     
  O      9.75645883     12.26152828    -11.46126968
  H      9.78277853     12.13336516    -12.41693154
  H     16.25456651     10.84997179    -11.62665492
  O     13.46718343      7.79440482    -16.53788226
  H     10.00546271     11.40928311    -11.08402810
  H     14.39623168      8.12332516    -12.37086741
  O     13.78151217      8.73273553    -13.91349448
  H     13.55063569      8.72399992    -16.82168100
  H     15.12572171      6.99898184    -11.60031013
  O     13.00457533     12.90674794     -8.62747282
  H     13.92146327      7.26463814    -17.18686319
  H     12.90341703     16.26205622    -12.33718696
  O     13.56516158     10.44946503    -17.05658037
  H     13.71939825      8.27231806    -14.76053035
  H     12.45602261     15.03577646    -11.50437392
  O     10.99386457      9.04975639    -13.46708940
  H     14.10358773      9.62522413    -14.10614292
  H     12.22927270      8.83098397     -9.69751085
  O     13.56037928     10.41904940     -7.37458212
  H     13.85558438     13.36234701     -8.58043384
  H     13.62810827      8.24347832     -9.95350767
  O     13.26338620     11.49405058    -11.03521234
  H     13.09376278     12.09248913     -8.11513015
  H     16.35429485     12.86649331    -12.44043664
  O     15.63207086     14.13687697    -11.51478092
  H     14.00849836     10.84986240    -16.29652598
  H     17.65062579     12.36888676    -13.12381310
  O     11.07498021      9.78318083    -10.77387965
  H     12.65536997     10.77234276    -17.05213042
  H     10.47885649     11.57727672    -15.16047676
  O     12.80321113     12.87038601    -13.36357278
  H     10.77619164      9.96701233    -13.69455960
  H     11.26777411     12.17865472    -13.96614628
  O     15.85456143     10.38979098    -10.87813855
  H     11.94963981      8.95181474    -13.57380535
  H     16.11077748     14.48169899     -8.05719531
  O     14.78655818      7.88649889    -11.51273014
  H     13.38360063      9.71862072     -8.02728985
  H     15.91460551     13.00783846     -8.49346860
  O     13.11968442     15.35418990    -12.14537119
  H     13.25613795     10.08787524     -6.53366473
  H     13.97647599     11.89778329    -14.25266645
  O     13.03312664      8.52608515     -9.25162645
  H     14.14358205     11.10747187    -10.95700486
  H     15.47077525     11.53743076    -14.14342332
  O     16.75689349     12.11313135    -12.91180060
  H     13.13259879     12.05438121    -10.25856256
  H     10.63219523     10.01207801    -16.73127599
  O     10.46486897     11.68992555    -14.20269859
  H     15.67172459     14.11024943    -10.55076328
  H     10.16012776     11.15363691    -17.66273368
  O     15.64612883     13.92668441     -8.67768420
  H     14.81562713     14.59910665    -11.73967019
  H     16.13600586     10.92548746     -9.15585468
  O     14.65257700     11.29013462    -14.58947539
  H     11.83349113     10.37749678    -10.88917688
  H     15.32866973     10.93997620     -7.84379177
  O     10.73848413     10.95996241    -16.92939926
  H     10.92183045      9.37608578    -11.63717591
  H     10.72040026     13.65458310    -10.77368903
  O     16.11769359     11.30384994     -8.26495784
  H     12.92092548     12.38303344    -12.53183785
  H     11.76843176     13.90487740     -9.65971734
  O     11.34137714     14.31056505    -10.42390879
  H     12.88260597     13.80374104    -13.13712382
  H     11.54216337      7.97876511    -16.36484566
  O     10.66410624      8.33499875    -16.18307369
  H     15.63610086      9.48600194    -11.13857251
  H     10.61048860      8.41720500    -15.22090053
          69
 Energy    -249.94590326452681     
  O     18.99791425      8.32641181    -13.46280469
  H     18.85530596      8.32293931    -12.50888083
  H     13.96010889      4.69956729    -15.30332817
  O     14.52631373      5.06818617    -17.03712229
  H     18.83369767      7.42480664    -13.76447430
  H     15.73150279      8.49580718    -14.52744321
  O     12.88189922      9.14084093    -13.30956374
  H     13.89451329      5.81201210    -17.05690224
  H     15.62475971      7.35338653    -13.46104712
  O     12.74612194      7.99672923    -10.80964548
  H     14.35774794      4.54733724    -17.81795879
  H     18.82864202      4.86564420    -14.03439647
  O     12.72014311      7.05522919    -16.88081517
  H     12.88148653     10.02058049    -13.70279224
  H     17.48291330      5.56570683    -13.73261961
  O     18.35322991     10.46768071    -15.00793448
  H     13.77305721      8.78794157    -13.46718977
  H     13.11428007     12.43674506    -14.75957346
  O     17.05503709      6.36040922    -16.70084357
  H     12.74102427      8.45504554    -11.66419855
  H     14.38705166     11.65821241    -14.36137392
  O     14.58508885      9.61387947     -9.43023404
  H     13.24433740      8.56067569    -10.20597058
  H     16.12846884     11.30803670    -12.93056296
  O     16.32780038      8.92640746    -16.18179229
  H     13.00824226      7.98020759    -16.90941636
  H     16.83576848     11.41953218    -14.28285005
  O     10.85165682      6.10740148    -11.56596850
  H     12.18429326      6.96218772    -16.08572111
  H     11.24379135      6.48675248    -13.41829079
  O     12.81289006      3.99125555    -11.75196278
  H     18.61584396      9.72073284    -14.44032316
  H     12.06228554      7.65751943    -13.99392459
  O     13.66882960      4.75331498    -14.38442359
  H     19.15683943     10.83421196    -15.36712353
  H     14.65497215      9.42906761    -16.68502515
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  H     16.24250586      5.84775443    -16.80051801
  H     13.53555944     10.32373494    -16.13594273
  O     18.32129773      5.65232783    -14.21859172
  H     17.52121608      6.01664920    -15.92996456
  H     17.07218556      9.62461829    -11.28351358
  O     13.45222435     11.55734744    -14.61246421
  H     14.51466086     10.41371007     -8.91546066
  H     15.95370112      9.38161533    -12.32302593
  O     16.06376121     11.73208278    -13.79605966
  H     15.12205924      9.82900536    -10.21289230
  H     15.15844044      5.24818692    -13.54108546
  O     11.71919792      6.77693021    -14.20506599
  H     16.64995637      8.05668634    -16.46469233
  H     15.56569897      5.66027579    -12.10542913
  O     13.71183617      9.62922487    -16.77809801
  H     17.08450194      9.47370132    -15.94342703
  H     17.78259759      8.00841990    -10.15956066
  O     16.22828488      9.96886564    -11.60071774
  H     10.03252733      6.16371146    -11.07991623
  H     19.16881805      8.68126045    -10.06128412
  O     15.88834225      5.60606268    -13.01423878
  H     11.44637725      6.77610831    -11.18804827
  H     15.86441372      6.67172414     -9.62616359
  O     18.45132813      8.50390161    -10.66451477
  H     13.07856398      4.03260815    -12.67987246
  H     15.81158024      8.11125474     -9.10160611
  O     16.41570493      7.37593484     -9.25871189
  H     12.03554189      4.55893036    -11.67792978
  H     14.01290159      5.03059243    -10.86227884
  O     14.54796724      5.79515370    -10.60288316
  H     13.01003712      5.46186247    -14.34761241
  H     13.96560070      6.56173372    -10.68616995
          69
 Energy    -249.94578145696499     
  O     -3.73623897      5.07961786     -1.63263213
  H     -4.42095160      5.56810477     -2.08163248
  H     -1.19859122      0.96736511      3.20237075
  O      1.50095559      0.84849902      4.70514869
  H     -3.83192035      5.27059659     -0.68180589
  H     -1.87188654      5.31612234     -2.08180930
  O     -1.20493741      3.16093762      0.56958449
  H      1.31953603      1.78957844      4.53619892
  H     -0.61228946      4.52002264     -2.51520744
  O     -0.04018181      2.85416284     -2.82006267
  H      1.77079698      0.78191374      5.61767670
  H     -2.93738604      1.85354016     -1.77763870
  O      0.92064370     -0.30539996      0.91194676
  H     -1.93182401      2.89171379     -0.00533635
  H     -3.54025380      3.25846278     -1.41550067
  O      0.80533916      3.39524294      3.96543518
  H     -0.38692596      2.82384030      0.18366501
  H     -1.92023714     -0.96068756      0.00196224
  O      0.60859548      6.92684418     -0.69786664
  H      0.51988919      2.59835700     -2.07403419
  H     -0.42654976     -0.78603145     -0.29984715
  O     -3.85520846      5.51231109      1.04280794
  H     -0.65430866      2.12173695     -2.94313903
  H     -4.52182587      2.62125279      2.31815696
  O      3.11784732      0.59666196      2.32267673
  H      1.79404675     -0.14937488      1.30021581
  H     -5.22326851      3.39714448      3.46066358
  O      2.68157438      6.07456986      0.97050393
  H      0.29413368     -0.17256413      1.63514270
  H     -2.65907335      2.95019439      3.28574784
  O     -1.09086374      5.84441706      1.31852767
  H     -0.12150524      3.19589661      3.77022784
  H     -1.54106541      2.80804418      2.23090584
  O     -0.78120636      0.09230951      3.17709931
  H      0.89513120      4.35782683      3.91037522
  H     -2.16388610      0.15943867     -3.57949789
  O     -0.92659056      5.39623969     -2.24528622
  H      0.53301129      7.81433710     -1.03878843
  H     -1.69060904      0.11666209     -2.10748094
  O     -3.33872528      2.37803336     -1.07297418
  H      0.10544486      6.35412083     -1.30725227
  H     -3.13241052     -1.86863387      2.05504424
  O     -1.29357266     -0.84723155     -0.72182229
  H     -2.94899489      5.77553326      1.25570595
  H     -2.12183218     -0.72660257      2.29249868
  O     -4.44586297      3.39363647      2.90892554
  H     -4.10119706      4.84148403      1.69012484
  H     -4.15093168      1.62163482      0.36824677
  O     -1.74631315      2.66525544      3.16985165
  H      2.70980652      0.58650744      3.19734539
  H     -3.97083451      0.47412229      1.38917136
  O     -1.95364877      0.71267366     -2.83219866
  H      3.14449241      1.52739203      2.06569833
  H      1.92357939      3.35246281      2.43703878
  O     -2.83156230     -1.03304890      1.70478292
  H      3.47280817      6.54833229      0.72447320
  H      2.67882898      4.25945841      1.43511329
  O     -4.45911432      1.28803647      1.22330185
  H      1.99259552      6.34050996      0.34109580
  H      1.08139332      1.23840722     -0.07150798
  O      2.53480779      3.33956089      1.68810135
  H     -1.10323405      4.92045171      1.02485447
  H      1.73559907      2.60383965      0.23127302
  O      1.17583676      2.14020651     -0.40615939
  H     -0.60006318      6.33030312      0.64555174
  H      1.63156506      6.18827355      2.66293772
  O      0.91486165      6.03894181      3.28930559
  H     -0.02657928      0.14563442      3.77528718
  H      0.11372357      6.02771200      2.74557868
          69
 Energy    -249.94501229610972     
  O     11.25355044      8.87820294    -16.08530686
  H     11.04811458      9.78213905    -15.80707977
  H     18.99339434      8.91576802    -13.54036254
  O     15.91250476      8.19523422    -12.44151590
  H     11.35531096      8.36254938    -15.27799766
  H     17.56646226     10.70157518    -16.94769993
  O     15.99499889     12.17422477    -14.71406899
  H     15.38291695      8.15698210    -13.25296469
  H     16.22468420      9.95466277    -17.10537009
  O     12.94426262      9.11284987    -18.21036249
  H     16.73620816      7.73995674    -12.65590939
  H     10.86410537     11.88814332    -14.39078407
  O     13.64325313     10.79579404    -14.31258453
  H     16.28101498     11.76440405    -15.53992081
  H     11.35494637     12.27707777    -15.81890238
  O     12.55511144     14.54646637    -13.99917747
  H     16.38859764     11.67450413    -13.98335702
  H     15.24957166     13.25097653    -11.55710975
  O     13.17534542      8.35591102    -11.51536258
  H     12.34419888      8.97898483    -17.45549034
  H     15.59328698     13.09450462    -10.05309878
  O     12.31470461     13.57324494    -16.70597517
  H     12.45754166      8.86179539    -18.99125439
  H     12.23817986      7.69776382    -12.87056368
  O     17.99844939      7.53589280    -16.21400993
  H     14.36937320     11.38916569    -14.54813260
  H     11.42260252      6.52005056    -13.44632771
  O     13.04940808     11.18253981    -11.65524226
  H     12.84050496     11.07538353    -14.76675808
  H     14.94037112     11.58648942    -17.62246041
  O     18.28989946      7.12250212    -13.53555956
  H     11.93672238     13.97660350    -13.52807930
  H     13.61441184     10.87480973    -17.95985549
  O     19.15612149      9.85545652    -13.68985836
  H     12.51533378     14.28030337    -14.92585314
  H     16.47008019      9.93814616    -12.35143180
  O     16.61822073     10.83832702    -17.06771854
  H     13.05579936      9.30739536    -11.39905792
  H     16.41208088     11.38646699    -11.77243777
  O     11.08139796     11.53460181    -15.26315157
  H     14.12563802      8.22151303    -11.61929316
  H     14.22129923     14.42199644    -13.29583096
  O     15.32290890     12.60750276    -10.82613311
  H     12.97085166     12.96753519    -17.09494321
  H     15.49672363     13.64785689    -13.68478629
  O     11.85010858      7.33767771    -13.68786718
  H     12.07938087     14.19450145    -17.39020374
  H     15.09981091      8.17120503    -16.25524555
  O     13.99811952     11.73801418    -17.76112758
  H     18.49497966      8.34348427    -16.39581135
  H     14.65865311      8.46535738    -17.69325046
  O     16.84598937     10.82695019    -12.42690682
  H     17.14334503      7.65007387    -16.64781898
  H     10.20037725     12.73522977    -12.01245608
  O     15.10427482     14.18159123    -12.98108982
  H     13.31182468     11.01474566    -12.57518444
  H     11.59769449     12.09946462    -12.19385570
  O     15.44060596      8.29409679    -17.15576808
  H     13.77829469     11.66506859    -11.24556856
  H     20.11755303     10.39161212    -16.66898229
  O     10.89035992     12.58226226    -12.65292040
  H     18.80461116      6.33291962    -13.39118798
  H     19.25604531     10.10773093    -15.41585149
  O     19.24619060     10.12410445    -16.38988680
  H     18.14884915      7.19114051    -14.49704748
  H     14.08616390      9.12058559    -14.59766422
  O     14.31841700      8.18138345    -14.68400990
  H     18.47362133     10.31685528    -13.18500457
  H     13.51896812      7.69230678    -14.45673377
          69
 Energy    -249.94500454741953     
  O     17.23247130     10.65312583    -14.78373963
  H     17.49287410     10.42562931    -13.88074473
  H     16.57742374      6.90360379     -9.92194966
  O     15.19368007      6.42561991    -11.15057257
  H     16.56476348     11.34306253    -14.68465644
  H     12.75513622      8.51420690     -8.85175897
  O     11.58694514      8.44414413    -13.22936236
  H     14.23553683      6.33309502    -11.24114310
  H     11.65567572      7.68737953     -8.14618517
  O     12.88035167     11.98683878    -10.03764640
  H     15.59374773      6.25899692    -12.01440582
  H     14.44180927     12.49635076    -10.96533438
  O     18.69759985      7.22348799    -12.19981800
  H     12.32565058      9.02717584    -13.46503968
  H     15.99589626     12.48857451    -10.95611452
  O     13.98884238      6.52563767    -16.34135503
  H     11.41001355      7.89566428    -14.00283063
  H     14.71226857      9.45303849    -10.50478156
  O     16.51535824      6.27890792    -13.62072821
  H     12.27086490     11.32978817    -10.41888462
  H     15.10828924      8.20972965    -11.32189412
  O     13.79227316      9.97910331    -13.66131148
  H     12.33651445     12.68331609     -9.67750938
  H     12.01025149      5.29486173    -14.19734985
  O     16.67237054      9.76521110     -8.37658037
  H     17.99019765      6.81291271    -12.72422682
  H     12.42803378      5.18539606    -12.72120169
  O     14.90535080      4.29714206    -14.74510977
  H     19.51753105      6.84088829    -12.50209101
  H     11.30892936      9.29472094    -10.21710307
  O     14.01136031      9.74099855     -8.77557976
  H     14.35634656      5.71853514    -15.96202721
  H     11.19467937      9.53904604    -11.73077370
  O     17.37795795      7.32920540     -9.58690703
  H     14.58723943      7.23666691    -16.07455145
  H     12.15474560      7.18606033    -12.02491286
  O     11.98706632      7.93611374     -9.00511871
  H     16.23686401      7.05205348    -14.13445809
  H     12.23167709      6.86647653    -10.51410867
  O     15.22369773     12.75246897    -11.46979442
  H     16.08220995      5.51160925    -14.01592495
  H     10.81698315      6.56664069    -16.13429211
  O     15.03512581      9.17295117    -11.36822651
  H     14.20591003      9.75602067    -12.81189822
  H     12.32683926      6.67281969    -15.81459531
  O     12.49815522      4.74032083    -13.57551360
  H     14.11161454     10.85472180    -13.90935788
  H     18.42501776     12.29335800    -10.13886366
  O     11.22048689      9.99174270    -10.87848635
  H     17.07101566     10.46950096     -8.89927632
  H     17.76049495     11.12871001    -10.90954220
  O     12.43268166      6.51081703    -11.38849645
  H     16.99035546      8.92612682     -8.74293264
  H     14.88587646      8.88082637    -14.64309188
  O     11.43735281      6.66854814    -15.41748242
  H     14.05536884      4.38970175    -14.27763828
  H     16.29714218      9.12604018    -15.17830624
  O     17.61712260     11.79086327    -10.21140502
  H     14.99336253      3.37621906    -14.97513819
  H     14.80635443     13.26514300    -14.55212862
  O     15.61750561      8.44268877    -15.09888962
  H     14.93940262      9.78632174     -8.49464930
  H     15.14626286     12.60895818    -13.19249213
  O     15.05428369     12.43839593    -14.14756125
  H     13.70721366     10.62356636     -9.01970587
  H     18.12402223      8.99042069    -12.12997677
  O     17.64596689      9.82804535    -12.10500340
  H     17.99944585      7.27100905    -10.32001157
  H     16.73391466      9.61874951    -11.85107534
          69
 Energy    -249.94490593641407     
  O     -8.24715484     -2.00981888      6.07376639
  H     -8.95220679     -1.35413558      6.14451455
  H     -3.09285740      1.34083878      2.30480897
  O     -9.15461570     -2.32993101      1.67468454
  H     -7.43493971     -1.60146885      6.39391835
  H     -6.85318927     -0.64173900      3.39010205
  O     -8.22798300     -3.73481138      4.00033529
  H     -8.94087050     -2.91165128      2.41522752
  H     -7.11497718      0.61055561      4.29276892
  O     -5.52556613      0.54671329      0.36891093
  H     -9.65434729     -1.60393527      2.06980560
  H     -5.10390165     -0.95140432      6.08321923
  O     -6.68228440      1.55154909      5.83397949
  H     -8.28394946     -3.13685476      4.76820115
  H     -5.21181229     -1.10002580      7.62065973
  O     -4.91256989      5.17851686      0.79295912
  H     -8.39333472     -4.61526199      4.32558535
  H     -0.88046758      2.53941027      1.57166035
  O    -10.41721198     -0.15168847      6.08060330
  H     -5.85866800     -0.34825923      0.24014837
  H     -2.14359470      3.29050352      2.06147099
  O     -4.20206756     -1.07675130      4.62097925
  H     -6.30998512      1.08189816      0.56896099
  H     -9.71108696      5.10333401      3.83292008
  O     -3.99554155      2.85100008     -0.27877317
  H     -5.98885947      2.08644089      5.42305591
  H     -8.48670442      4.29092329      3.36712076
  O    -10.10814219     -0.21209802      3.26653653
  H     -6.27223189      0.81828441      6.30933097
  H    -10.45387091      1.40102493      2.34630150
  O     -6.80810043     -2.00709621      0.31749706
  H     -4.63211204      4.35874134      0.34720701
  H    -10.19553185      2.91294267      2.53155508
  O     -3.88787209      0.91773259      2.65288921
  H     -4.90498748      5.86582901      0.13218053
  H     -6.70954929     -2.92513032      3.35220174
  O     -7.35211221      0.17938251      3.46251722
  H    -10.07670864      0.76119725      6.04646999
  H     -6.14625261     -2.30333587      2.04728595
  O     -5.70380503     -0.84592732      6.84469809
  H    -11.15205802     -0.14746189      6.68767651
  H     -9.41463679      2.97418660      5.20425438
  O     -1.83291983      2.50922828      1.56937865
  H     -3.95938272     -0.35606594      4.02635407
  H     -8.38709528      2.11821903      5.97287088
  O     -9.37105427      4.21424511      3.75968640
  H     -4.72740221     -1.67768653      4.07242908
  H     -3.60237021      4.14462024      3.51828912
  O    -10.36698473      2.23637526      1.86558695
  H     -3.17069149      2.69032366      0.19664179
  H     -3.61471012      4.95177825      2.20944185
  O     -6.02167997     -2.34262447      3.00342835
  H     -4.49941120      2.02917296     -0.22071407
  H     -4.63309311      2.24309604      3.66826024
  O     -9.33389834      2.30767247      5.89523583
  H     -9.14946327     -0.09039702      3.34821736
  H     -5.66647235      3.40916728      3.67291956
  O     -3.02473409      4.57827287      2.87641196
  H    -10.42672605     -0.27546259      4.17385082
  H     -8.66919848      1.98702288      1.29862481
  O     -4.97853227      2.97677741      4.19877382
  H     -7.69447241     -2.06123661      0.71856072
  H     -7.54832678      1.24814015      2.07607144
  O     -7.71295488      1.84377809      1.32701440
  H     -6.81294318     -2.60356725     -0.42696950
  H     -7.15946655      3.36735379      2.02226312
  O     -6.88644462      4.16323435      2.50621078
  H     -4.45460950      0.72061141      1.89506826
  H     -6.28253694      4.64277983      1.92597880
          69
 Energy    -249.94456283591606     
  O     -2.75153774     -1.25677072      7.28050386
  H     -2.88850628     -0.67470791      8.02265150
  H     -2.44051247     -5.65098936      0.31699927
  O      2.28706498     -0.60623702      2.80872236
  H     -3.15526919     -0.82485368      6.50563266
  H      2.91498128     -3.38764106      4.17212910
  O     -2.56126346     -0.43324110      2.65343307
  H      1.44436433     -0.65509006      3.28385269
  H      4.40713837     -3.18006768      3.81829945
  O      1.76961301     -3.95462310      5.31136082
  H      2.78405523     -1.39415662      3.05525382
  H     -0.20331695     -2.44195081      2.77484417
  O     -4.09852052     -3.66018901      6.44949385
  H     -2.11374777     -0.12392893      1.85281557
  H      0.53682025     -3.58822130      2.00735461
  O     -0.60704656     -2.65686576      6.16201962
  H     -3.06488605     -1.22355249      2.41411918
  H     -1.59538724     -4.25877540      2.75443307
  O      0.56873442     -6.49370501      4.84322029
  H      1.06491029     -3.42913079      5.70931792
  H     -2.37604887     -5.52236370      2.33677751
  O     -5.65698355     -2.52571143      4.51624585
  H      1.40770670     -4.84036552      5.18306126
  H      2.15858259     -3.68196373      0.56577143
  O     -1.07507992      0.07376849      0.38037871
  H     -3.67678783     -2.90231518      6.87366434
  H      2.71200996     -3.88059658      2.01162765
  O      0.54522057     -6.49013280      2.10820141
  H     -3.39125685     -4.29378976      6.27604717
  H     -4.74102406     -2.67851258      2.87274918
  O     -3.18921280     -4.14430435     -0.21601714
  H     -1.24436143     -2.12960604      6.66025890
  H     -3.49998912     -3.50889928      2.51081830
  O     -2.03012670     -6.42878240      0.73591851
  H     -1.03885336     -3.50455871      5.98328735
  H      2.46326451     -2.39927124     -1.66231795
  O      3.52405238     -3.09072284      3.47052802
  H      0.94280693     -7.32771555      5.11591713
  H      1.95124198     -1.52505032     -0.49492155
  O     -0.32735457     -3.19892463      2.18867812
  H      0.52868398     -6.51444759      3.87091136
  H     -0.35304632     -1.55467405      4.74515568
  O     -2.35698688     -4.81424659      2.99072454
  H     -5.14279726     -3.00692364      5.18895354
  H     -1.03735059     -0.75964200      3.57805780
  O      2.11691589     -4.25051016      1.34485121
  H     -6.57706807     -2.66725812      4.72251172
  H      2.26676555      0.94681847      0.10169395
  O     -4.06250229     -2.78594281      2.19472595
  H     -0.12689053      0.24010478      0.38845377
  H      2.04042344     -0.11779357      1.20249726
  O      1.96236927     -2.42926621     -0.85063762
  H     -1.16394654     -0.78813312     -0.04817927
  H      0.01417782     -2.63424019     -0.81650815
  O     -0.18747570     -1.05391794      3.93539031
  H     -0.25155968     -6.48024218      1.56550104
  H     -0.77909219     -2.79977200      0.48776294
  O      1.85724423      0.10241832      0.26986046
  H      1.14685024     -5.83255109      1.73536328
  H     -4.65614818     -0.91955352      4.87103432
  O     -0.87983932     -2.61518060     -0.46030443
  H     -3.66159861     -3.63686958      0.45509157
  H     -3.48158429     -0.14663200      4.24658459
  O     -3.96887583     -0.27218066      5.07183170
  H     -2.44642037     -3.58776333     -0.49035611
  H     -1.03969569     -5.70552877      5.55396121
  O     -1.80814681     -5.12768836      5.62135658
  H     -2.44319180     -7.19465653      0.34573115
  H     -2.11540004     -5.02501082      4.70581884
          69
 Ord_Energy   -249.943420    
 O   -2.92655683      0.290004551       5.53362513    
 H   -2.65977383      0.663924813       6.38374710    
 H   -3.81078362      -8.27528611E-02   5.64509392    
 O   -7.90518713       4.61301184       4.76123619    
 H   -7.17434645       4.41151237       5.37116241    
 H   -8.66169453       4.83006096       5.29959583    
 O   -3.70509911       5.79664135       6.49601460    
 H   -2.92984247       5.22168636       6.40845346    
 H   -3.74487209       6.32667732       5.69175243    
 O   -1.63561332       2.90754771     -0.758285344    
 H  -0.849748552       2.99408579     -0.204196453    
 H   -1.75552475       1.96114707     -0.904056430    
 O   -5.23106289       1.66323853       7.71856546    
 H   -5.52102757       2.50981665       7.35100508    
 H   -5.51553345      0.985620081       7.09449530    
 O   -3.01960611       4.57468748       3.03272414    
 H   -3.25879002       5.45796871       3.33693266    
 H   -3.50184488       3.93316197       3.57704258    
 O   -3.87879014       3.60164309      0.630404770    
 H   -3.11920595       3.46180415       4.63519692E-02
 H   -3.54581952       4.00975752       1.44358730    
 O   -1.77690208      0.576565027       3.07930374    
 H   -2.54806590      0.682838917       2.50654721    
 H   -2.10133076      0.324952871       3.95467353    
 O   -4.31107235       2.53769374       4.37548733    
 H   -4.92975950       1.99264050       3.87341499    
 H   -3.71664071       1.92254949       4.82049704    
 O   -5.71795940       3.99760604       6.25084925    
 H   -5.09658241       4.70640182       6.47789431    
 H   -5.26126766       3.46364903       5.58375502    
 O   -1.64050829       3.92156672       6.20797014    
 H   -1.17622018       3.59765887       5.42963457    
 H   -1.82989299       3.15872741       6.76684141    
 O   -3.97874713       7.03934288       3.91824508    
 H   -3.82235718       7.95124149       3.68896890    
 H   -4.87032700       6.81572676       3.59507084    
 O  -0.716103077       3.13410664       3.49579406    
 H   -1.05919421       2.23319507       3.40317440    
 H   -1.45320284       3.73365641       3.30318832    
 O   0.601391554       2.97618508       1.06313062    
 H   0.218804821       3.10417080       1.94671011    
 H    1.41025555       3.48144817       1.04127741    
 O    1.71460509E-02  0.164078996      0.994304240    
 H   0.396252871       1.05029619      0.948909402    
 H  -0.500939965      0.154079437       1.81280696    
 O   -6.44171906       4.51297808      0.696843266    
 H   -5.53075361       4.18877602      0.593484819    
 H   -6.76092005       4.71819019     -0.178293169    
 O   -5.66572046     -0.383336037       5.67689228    
 H   -5.84416151      -7.84853995E-02   4.77069807    
 H   -6.14981413      -1.19749260       5.79031372    
 O   -3.91980886      0.860558987       1.23772430    
 H   -3.41355562      0.465245098      0.516698480    
 H   -3.97011232       1.80788016       1.04550993    
 O   -2.06780863       4.94797304E-02 -0.738315046    
 H   -1.27781510      -5.82699012E-03 -0.170720875    
 H   -1.96762288     -0.613155603      -1.41606009    
 O   -7.55726147       2.74305272       2.62975597    
 H   -7.24697733       3.31244016       1.91477942    
 H   -7.77166414       3.33097720       3.36431432    
 O   -6.38678980       6.23833084       2.98024154    
 H   -6.40821266       5.72994280       2.16053843    
 H   -6.96237469       5.77142572       3.59836888    
 O   -2.51157331       1.71547842       7.87300301    
 H   -3.48416924       1.74190974       7.92134953    
 H   -2.19314361       1.61901152       8.76646233    
 O   -5.95117283      0.628744602       3.13986707    
 H   -6.62061262       1.29335153       2.90888119    
 H   -5.33029652      0.553917646       2.40273333    
          69
 Energy    -249.94285668273005     
  O     17.69678538      7.64549041    -13.65992773
  H     18.22821177      7.98157293    -12.92541302
  H     14.40709473      9.14009960    -16.05775694
  O     12.56597148     11.09187408    -11.69899832
  H     17.95095648      8.10612879    -14.47366527
  H     17.62043021      7.61866533     -7.15774719
  O     18.11844021      9.19323979    -15.86336472
  H     11.77379456     11.54242727    -11.42030970
  H     17.24918968      8.21032880     -8.53392595
  O     11.92537848      9.09668821    -13.40222152
  H     12.28613221     10.40430653    -12.33220606
  H     14.78260298      9.08614032    -11.64266566
  O     16.07996671      5.54913544    -12.94658661
  H     18.47344904     10.05020683    -15.59524338
  H     13.67736913      9.78032933    -10.83109852
  O     18.87301495      8.64563855    -11.36378985
  H     17.30033130      9.38956820    -16.33494713
  H     18.77560440      6.58166250     -9.24870685
  O     19.16294179     11.25657374    -12.30986198
  H     11.84189096      8.17435082    -13.13357172
  H     18.84361631      5.56446593    -10.40380034
  O     16.82788304      9.60256708     -9.61829532
  H     12.47699088      9.08059768    -14.19730932
  H     15.39583415     10.99048518    -12.91415459
  O     12.04677203      6.29477376    -12.75546274
  H     15.43605525      5.91552855    -12.32473817
  H     14.22766825     11.81448978    -12.34801088
  O     15.64191592     10.15431755    -16.99882757
  H     16.66566308      6.26665106    -13.23593091
  H     17.89576722      3.35676544    -11.38603732
  O     13.99365717      6.06566145    -14.87298118
  H     19.19662414      7.83248722    -10.94912201
  H     17.13493750      4.62572308    -11.82809532
  O     13.84144729      8.75303110    -15.37941610
  H     18.14825070      8.95739737    -10.80671269
  H     16.30034253      8.73100239    -13.38682053
  O     17.45864079      7.38465374     -8.06870703
  H     18.52153638     11.67005536    -11.72118998
  H     14.89019490      9.06741647    -13.95532341
  O     14.37181505      9.11656982    -10.76123772
  H     19.23805386     10.33800439    -12.01778013
  H     19.66502325     12.26544665    -15.23683011
  O     19.30950000      6.31063947    -10.00599616
  H     16.96422585     10.53759987     -9.81275157
  H     19.02958959     11.60311737    -13.99295253
  O     15.14354661     11.88863206    -12.64264216
  H     15.93323619      9.39645265     -9.92751937
  H     15.73100061     12.30910267    -14.44397910
  O     17.65922534      4.23783993    -11.10764021
  H     11.38578785      5.65694318    -12.49804534
  H     17.08460398     12.18431723    -15.17814298
  O     15.50003473      9.24447548    -13.22651542
  H     12.75063336      6.25273753    -12.08550698
  H     14.63807640      5.94128756    -10.30686872
  O     18.89799511     11.78246559    -14.94093549
  H     15.56141108     10.47440570    -17.89361380
  H     14.16822462      7.33049414    -10.83107257
  O     16.12961514     12.24483094    -15.31906198
  H     15.75214986     10.93709844    -16.42935751
  H     16.34576226     12.18246940    -11.35237303
  O     14.15183547      6.38212400    -11.01880822
  H     14.75827793      5.75463246    -14.37386208
  H     16.99377128     13.11422476    -10.30158033
  O     17.02672064     12.23076125    -10.66007961
  H     13.25318275      6.04135756    -14.25347085
  H     16.47216520      4.81142760     -9.71769647
  O     15.83586003      5.28804818     -9.16924876
  H     13.94602638      7.78837282    -15.38214786
  H     16.34052682      5.97027281     -8.70980644
          69
 Energy    -249.94221700788313     
  O     10.57046879      8.79399591    -11.98108835
  H     11.38806302      9.29883614    -11.90505308
  H     14.21250491      4.55727544    -10.98851779
  O     12.15856784      3.89911342     -8.92006392
  H     10.59767320      8.37501840    -12.85022870
  H     15.01023783      5.43316794    -14.85667359
  O     17.25413822      7.29722277    -13.18101420
  H     12.10641801      3.12314172     -8.36733722
  H     15.84795765      6.52023665    -14.07375628
  O     14.90381178      3.74549227    -15.38202009
  H     13.03625485      3.88569196     -9.33540771
  H     14.08202692      5.85877541    -12.93953167
  O     16.98927342      5.40756255     -9.73497516
  H     17.07397721      8.11616962    -13.66598769
  H     12.65186122      5.42231493    -12.53782343
  O     15.86198431     10.63304354    -11.48956578
  H     16.96699058      7.47196972    -12.27486361
  H      9.94031128      7.84185754    -10.66675913
  O     11.90660217      6.70671280     -8.38039951
  H     14.06580234      3.36309896    -15.09635919
  H      8.76750670      7.63418894     -9.68257598
  O     13.51078704      8.60608835    -14.43397781
  H     15.59135559      3.26902577    -14.89846389
  H     13.54855952      6.91598383    -10.94920432
  O     12.53971730      2.59483248    -14.14764038
  H     16.83682710      6.34248536     -9.94963930
  H     13.11237611      7.35122686     -9.51580425
  O     16.81539608      2.48632887    -13.68570098
  H     17.55022028      5.39587393     -8.96272848
  H     17.59692213      4.79452935    -11.46206322
  O     14.41242361      1.99967933    -12.26791443
  H     14.91336804     10.44509165    -11.59496076
  H     17.77684672      5.53790678    -12.79377360
  O     14.55849978      4.00105042    -10.27107397
  H     15.92914457     11.52512867    -11.15857597
  H     15.41548082      7.80708637    -10.37515572
  O     14.97176970      6.28918918    -14.40707215
  H     11.96979977      5.74467365     -8.42686293
  H     16.40841610      8.91324751    -10.76440651
  O     13.51797249      5.65159073    -12.18204582
  H     11.07397423      6.93921018     -8.81281744
  H     15.32563210      9.48155625    -14.44290030
  O      9.60527382      7.26894850     -9.95459152
  H     12.59927122      8.32534675    -14.57571554
  H     16.18548624     10.12540575    -13.34076301
  O     13.67929462      7.58629015    -10.26222243
  H     14.03693998      7.79382547    -14.49956583
  H     10.84696607      4.33047535    -10.25357981
  O     17.79245523      4.65756741    -12.39579480
  H     12.16996459      1.77602931    -14.46883397
  H      9.93634611      5.52946841    -10.58474706
  O     16.35515537      7.97345262    -10.55592021
  H     13.15491279      2.35834540    -13.43046539
  H     13.36645022      9.02058783    -11.27122942
  O     16.23759903      9.66445101    -14.18740302
  H     17.19253803      3.25937408    -13.22924388
  H     13.38016165      9.37715842    -12.79085908
  O     10.23645924      4.67324324    -10.91675353
  H     17.55010657      1.93484662    -13.94088922
  H     10.96339771      6.54258975    -14.17534314
  O     13.28531184      9.75339620    -11.90227314
  H     15.26495377      2.06377708    -12.71872704
  H     10.26593072      7.45349319    -15.20911626
  O     10.88534223      7.46150689    -14.48330631
  H     14.48516585      2.56630430    -11.49020591
  H     11.54578907      4.10459053    -13.75517126
  O     11.14169942      4.92857494    -13.45408940
  H     15.38597498      4.40553001     -9.98897291
  H     10.71604153      4.76507451    -12.59620607
          69
 Energy    -249.94123070529767     
  O     11.15563723     11.17740066    -11.83037577
  H     11.97680961     11.44323301    -12.26247349
  H     14.65713235      5.58768452    -18.06273685
  O     13.44173779      7.34919255    -15.18506283
  H     10.60635832     10.78747699    -12.52261671
  H     17.29025249      6.02848250    -15.37863533
  O     17.87383972     10.27899541    -11.94700037
  H     13.75200968      6.89043617    -15.97463867
  H     17.69448994      7.01578341    -16.49479762
  O     18.21424584      8.83156652    -16.81198892
  H     14.21577995      7.81001756    -14.82087112
  H     15.04722053     12.03468780    -15.78764863
  O     12.21153624      9.83334823    -15.17374883
  H     18.26166009     10.84358073    -11.28257439
  H     15.65082167     13.40096076    -15.37246509
  O     15.94408053      6.55920185    -10.10011948
  H     16.92296376     10.22301874    -11.74640927
  H     15.38227338      8.94270499    -13.17073661
  O     12.88822928      6.38092191    -12.63513357
  H     18.05866128      9.45394062    -16.08296770
  H     16.18818608      9.16655708    -14.46226319
  O     15.17511895     10.00170294    -11.67348631
  H     19.03339279      9.09465461    -17.22492153
  H     10.67644556      9.55498460     -9.13036022
  O     15.54346419      8.99084348    -17.88987238
  H     12.55122627      8.92971313    -15.23807531
  H     11.15398049     10.00653354    -10.53277671
  O     15.11539703      4.70664970    -12.19919251
  H     11.31664742      9.77459015    -14.81780487
  H     11.15224675      7.03295163    -12.29242884
  O     17.49271546     10.49045817    -14.73741687
  H     15.68011591      5.81695152    -10.65607977
  H     10.54212314      8.02204709    -11.27526213
  O     14.77176178      6.25358364    -17.39039420
  H     15.15846729      7.11741208    -10.04580780
  H     17.58615118      6.49481214    -12.86149870
  O     17.26719981      6.16515564    -16.33538489
  H     13.55210909      5.69958212    -12.46928529
  H     16.45053981      6.97843177    -13.77396034
  O     15.55756266     12.49453340    -15.09241132
  H     13.00617060      6.66256147    -13.55335862
  H     18.21695995      8.34652067    -11.58857732
  O     15.58198390      8.55325289    -14.03157510
  H     14.63873444      9.37222790    -11.17212297
  H     17.51098145      7.17198624    -10.86595183
  O     11.13686933      9.25748415     -9.91000690
  H     14.57450445     10.57643956    -12.16907969
  H     14.58803953     10.38107578    -17.28538628
  O     10.37191902      7.57344287    -12.11286069
  H     16.47313084      8.94997377    -17.63783586
  H     13.34631075     10.70435192    -16.41388047
  O     16.98095525      6.19785973    -13.55775568
  H     15.21107026      8.08886353    -17.81792639
  H     13.33968508      7.51628715    -11.26222817
  O     18.24656210      7.39358046    -11.45835422
  H     15.30641420      3.77270351    -12.23218364
  H     12.78208737      8.47330223    -10.17460764
  O     14.11340805     11.10130301    -16.84403765
  H     15.79661281      5.15072964    -12.73259864
  H     14.20549817     11.95719370    -13.84850676
  O     13.59498098      8.08849319    -10.52418151
  H     17.75328155     10.45868064    -13.80692966
  H     13.10781490     10.87477293    -13.96982410
  O     13.54698980     11.46835107    -13.34158254
  H     16.89466704     11.24178492    -14.85195777
  H      9.94329645      8.82779749    -13.24716379
  O      9.78037254      9.61173233    -13.80231852
  H     15.66867032      6.13679468    -17.02770220
  H      8.86570321      9.57743868    -14.06840574
          69
 Energy    -249.94081299756306     
  O      1.46792729      2.48269771      2.57320174
  H      2.05553315      1.76346592      2.83330475
  H     -0.92409493     -3.20849030      4.15704685
  O      0.65248753      3.00691336      0.03788959
  H      0.71598578      2.45913016      3.18013217
  H     -3.83476885     -0.04816092      2.91160208
  O     -0.61530874     -1.54878557      4.95873044
  H      0.97598871      2.82118261      0.93758467
  H     -3.89101174      1.44438339      3.29283835
  O      0.75012657     -4.00966036     -1.86208937
  H      1.09595820      3.79911721     -0.25369333
  H     -2.90046711     -0.67879645      0.62926516
  O     -2.62370672     -1.79845937     -2.88821586
  H     -1.20923755     -0.96292067      5.44005367
  H     -3.05373331     -1.98973314      1.47224276
  O      0.24785688     -1.59582582     -3.01216372
  H     -0.56746023     -1.17955632      4.06252701
  H     -2.19746211     -3.86288482     -0.27330427
  O     -3.22644192      3.12001484      2.67451564
  H      1.12148147     -4.59974713     -2.51299251
  H     -1.07712611     -4.01156807     -1.33715156
  O     -2.72484484     -3.81052589      1.52966532
  H      0.65209846     -3.14385849     -2.29691315
  H     -0.73110733      0.60349401      2.88252719
  O     -2.22306521      0.08299758     -0.87165236
  H     -3.28017224     -2.06176535     -3.52652520
  H     -1.52288907     -0.52884173      2.15723974
  O      0.55388676      0.41847501     -1.07617048
  H     -2.47809725     -2.56177354     -2.29848879
  H      1.53802138     -3.77868118     -0.17914502
  O      1.86735412     -4.37309917      3.23627852
  H     -0.70916543     -1.59164078     -3.13597577
  H      1.84378493     -2.60587212      0.77913682
  O     -0.92517624     -3.94632888      3.53365347
  H      0.44799908     -0.83422631     -2.45103142
  H      1.24789486     -1.73089721      4.89628088
  O     -4.01437981      0.55420507      3.64616966
  H     -2.89297415      2.97659663      1.76971778
  H      2.15065064     -2.72201920      4.14488065
  O     -3.12624268     -1.02732753      1.50366430
  H     -3.70087994      3.94644737      2.66481131
  H      0.79353176     -0.70183910      1.58773210
  O     -2.01868787     -3.83267394     -1.22057906
  H     -2.04875179     -3.87978862      2.22703893
  H      2.31432204     -0.47625141      1.67733474
  O     -0.65474316     -0.27947902      2.50026507
  H     -3.41849057     -4.42148693      1.76695937
  H     -1.68875382      2.57867896      3.56125267
  O      1.91245334     -3.56649332      0.68248687
  H     -1.25790777      0.15215253     -0.90445100
  H     -1.29198218      1.64841373      4.72960651
  O      2.14828778     -1.85456608      4.56835998
  H     -2.48106015     -0.47207111     -1.61782092
  H     -3.02384893      0.44793741      5.08179085
  O      1.62628036     -0.84013417      1.10852017
  H      0.63688896      1.35054137     -0.84224684
  H     -2.87227908      0.66907557      6.60612669
  O     -0.93690837      2.13071614      3.97276913
  H      1.00604624     -0.06974750     -0.37195872
  H      4.09288406      0.32839022      3.39879473
  O     -2.37842578      0.48695479      5.81154095
  H      2.38312298     -5.16640682      3.35010395
  H      2.82222252     -0.48428950      3.73374914
  O      3.16677851      0.24569195      3.18791412
  H      1.91191748     -4.14066783      2.29033543
  H     -1.22685907      2.85058180      0.15984687
  O     -2.16871356      2.66204671      0.25458978
  H      0.00120727     -4.19271356      3.42350392
  H     -2.32399286      1.82232029     -0.19637692
          69
 Energy    -249.94068927999911     
  O     13.60936013     11.71895548     -8.40599817
  H     13.59992922     11.50466969     -7.47643727
  H     10.09485118     13.23759916    -13.18851579
  O     10.86563755     10.93093428    -14.83346901
  H     13.84568891     10.90038452     -8.87861733
  H     13.37544680     13.34232407    -12.17776445
  O     14.08107957      9.45921755     -9.84530107
  H     11.09149453     10.99110241    -15.76990808
  H     13.34917330     14.75116499    -11.55554320
  O     18.50900422     13.11301271    -13.01363294
  H     10.87810744     11.83221353    -14.47735098
  H     12.17557169     13.12110489    -16.64197653
  O     11.48787722     12.24434825    -10.18785040
  H     14.77863834      9.21989205    -10.46448918
  H     11.81246512     13.88630183    -15.35546833
  O     11.59544741      9.62755738    -11.17573271
  H     13.23712520      9.30314257    -10.28958361
  H     15.25918442     11.94151600    -12.28307844
  O     13.06497058      9.84049129    -13.50710340
  H     19.44374743     13.23291030    -13.15554918
  H     14.01785664     11.28713728    -12.98838324
  O     14.91126714     15.66148542    -11.06495302
  H     18.17854012     12.55462480    -13.74194903
  H     16.81600741     10.84020700    -14.73192402
  O      9.35262296      9.66507671    -12.90151835
  H     12.10108112     12.12262192     -9.45250964
  H     16.61973706     12.29196611    -15.20638504
  O     14.99371184     13.29431841    -15.21289118
  H     11.88501908     12.92865794    -10.74594170
  H     11.75531601     11.12717811    -18.31508235
  O     14.42999576     10.80481171    -16.59083864
  H     11.54324959     10.53571731    -10.84060699
  H     12.80482420     11.04377750    -17.18004155
  O     10.82701649     13.50135263    -13.76480344
  H     10.77086474      9.47002425    -11.65148148
  H     17.06556127      8.50207333    -11.19027510
  O     12.77725813     14.04258478    -11.86952671
  H     12.62901570      9.65491419    -12.66502736
  H     16.61091527      9.95904413    -11.43980552
  O     12.45230145     13.85287505    -16.07865219
  H     12.37790243     10.18964890    -14.08935321
  H     16.03730108      9.10785466    -13.50405013
  O     14.45464532     12.12353518    -12.78286954
  H     15.05257333     16.58194339    -10.86039640
  H     14.70617324      9.43459509    -14.15746682
  O     17.29130584     11.66009623    -14.91815829
  H     15.44261091     15.46663521    -11.85760548
  H     16.49001573     12.26454086    -10.58997720
  O     11.89119157     11.30975720    -17.38953195
  H      9.82478712     10.04346135    -13.66265421
  H     17.48310443     12.18063965    -11.79648230
  O     16.37529623      9.02622640    -11.59016816
  H      8.67514070      9.09380855    -13.25413377
  H      9.79879632     12.35965234    -11.14064556
  O     15.65429753      9.37032251    -14.34987085
  H     14.80501370     12.88455146    -14.35281494
  H      9.04299129     11.45044071    -12.12402938
  O     16.81846169     11.68931757    -11.29900246
  H     14.15208632     13.62951950    -15.55657862
  H     15.90405113     14.61977361    -14.04573894
  O      9.15556978     12.37130153    -11.86165894
  H     14.91288522     10.16460215    -16.05850201
  H     17.15221377     14.46033609    -13.15847664
  O     16.35679797     14.99309325    -13.28110763
  H     14.65992822     11.66788147    -16.22389797
  H     14.91289003     12.92582494     -9.10041106
  O     15.67247635     13.35865493     -9.50936517
  H     11.51887201     13.81526214    -13.16561344
  H     15.35701904     14.16756651     -9.92940895
          69
 Energy    -249.93950406204937     
  O     11.77865128      3.27844272    -12.42306952
  H     11.38673140      3.16401082    -11.54912231
  H     17.89215569      6.00528016    -13.87135488
  O     17.83248011      3.88549544    -10.74483406
  H     12.36222311      4.04279918    -12.32095811
  H     11.95291704      8.31862507    -14.71622117
  O     14.61292527      7.82652941    -10.84457916
  H     17.18034969      3.17977596    -10.82396006
  H     12.86443946      9.12594823    -13.77176189
  O     17.88199173      5.86654953     -8.90103128
  H     17.91142042      4.29752578    -11.61483316
  H     13.79576859      4.80462127    -10.99383458
  O     14.00522339      3.63493110     -9.62329581
  H     14.20947863      7.94800993     -9.97683051
  H     14.22945128      5.14006414    -12.46964659
  O     15.79984518      1.88346240    -10.88329360
  H     14.31068906      6.96276996    -11.15752222
  H     14.65471263      2.95576210    -13.54703026
  O     14.69760473      9.05497705    -13.34387391
  H     18.64112528      5.77434537     -8.33122573
  H     13.36951653      2.33490268    -12.95758838
  O     14.80793588      7.04093951    -15.26198321
  H     17.89042762      5.10254691     -9.50680498
  H     13.06787752      8.30182651     -7.70889950
  O     11.27809128      3.40610307     -9.60633451
  H     14.44856929      4.22224490     -8.99039037
  H     12.57891500      7.17256064     -8.64588141
  O     17.45434033      9.24510499    -13.40586141
  H     14.64177634      2.98762068     -9.94811454
  H     11.06307640      6.62405865    -10.22824895
  O     17.58682982      7.11735365    -15.38914885
  H     16.01891954      0.96886875    -10.72496639
  H     11.13524913      5.34352314     -9.37137692
  O     17.75615775      5.55672297    -13.02792206
  H     15.28839120      1.91126709    -11.71176806
  H     17.65872052      7.09457424    -10.30156516
  O     11.94654161      8.86111161    -13.91936246
  H     15.62646486      9.31614854    -13.41742014
  H     16.41636480      7.69718358    -10.98742162
  O     13.63131062      5.38704531    -11.74964629
  H     14.58187140      8.73435906    -12.43892239
  H     16.09053478      5.71082688     -8.27044304
  O     14.30566433      2.16215075    -13.11789426
  H     14.74766385      7.73587615    -14.58896119
  H     14.65499904      6.27594925     -8.05340002
  O     13.36808460      7.65959274     -8.34635834
  H     13.92777040      6.95142979    -15.64943432
  H     11.43964852      7.73919303    -12.59701061
  O     11.23678769      6.30050884     -9.33250246
  H     10.94826811      2.81540552     -8.93359011
  H     12.10384345      6.48620855    -11.96426970
  O     17.36372918      7.53747615    -11.10652912
  H     12.24791215      3.41087996     -9.52402138
  H     15.02749825      5.43104248    -14.42795678
  O     15.18464625      5.46937265     -8.04281815
  H     17.60243636      8.77357518    -12.57518241
  H     16.15524182      4.88019966    -13.52477969
  O     11.27018340      6.97166794    -12.03047620
  H     17.66665277      8.61840200    -14.10730051
  H     10.75283848      5.87692532    -13.48017398
  O     15.25699019      4.70187425    -13.83672628
  H     16.61981643      7.09159971    -15.47773362
  H     10.98263442      4.40377963    -13.82269956
  O     10.82632750      5.26447604    -14.22568811
  H     17.94235500      7.14354464    -16.27412419
  H     11.66836887      6.20974821    -15.43390928
  O     12.13697796      6.83097039    -16.01925291
  H     17.63013742      6.25546841    -12.36765779
  H     11.63907139      6.86673285    -16.83184433
          69
 Ord_Energy   -249.939301    
 O   -5.17490721       4.43766308       6.94049406    
 H   -4.35171270       4.00488329       6.68027496    
 H   -5.78511333       3.72038865       7.15130568    
 O   -3.97282004       5.41578245      0.754931152    
 H   -4.89924622       5.15099382      0.702743053    
 H   -3.88762593       5.81059933       1.63387573    
 O   -3.93304563       5.82400751       3.54488158    
 H   -4.52369928       6.29329920       4.14552212    
 H   -4.25761461       4.91151810       3.55053234    
 O  -0.112224311       1.61534142       1.05454779    
 H  -0.853894770       2.24043131       1.00459898    
 H   0.372717530       1.70211911      0.237220407    
 O   -6.71634340       1.71321690      0.371932477    
 H   -7.06099892       1.27135611       1.17116714    
 H   -7.16570234       1.32774699     -0.374749422    
 O   -7.56486177       2.60612583       4.59290600    
 H   -7.84134054       3.51624918       4.40376902    
 H   -7.46381140       2.50092435       5.54621506    
 O   -3.45606184     -0.686360061       3.07535386    
 H   -2.53288174     -0.866636395       2.84596133    
 H   -3.73750782       5.40226884E-02   2.51783848    
 O   -5.91686153       6.55134821       5.39615536    
 H   -5.66740465       5.82089758       5.99088097    
 H   -6.09454966       7.30698252       5.94998598    
 O   -4.20427847       1.49099994       1.60171592    
 H   -4.96370125       1.57332349       1.01114607    
 H   -3.52086258       2.12672257       1.34781563    
 O   -7.48714352      0.587337911       2.68891549    
 H   -7.01481056     -0.133972660       3.11988807    
 H   -7.64534330       1.25524867       3.37120605    
 O  -0.770523787     -0.753552318       2.57443500    
 H  -0.533736110      -2.23534796E-02   1.99055934    
 H  -0.369191527     -0.550151706       3.42827487    
 O   -1.59146094       4.32406616       3.87086225    
 H   -2.16809702       5.09145594       3.76914072    
 H   -1.99946737       3.80602527       4.58136415    
 O   0.546788096       2.48989558       3.70647240    
 H   -4.95237485E-02   3.24265647       3.81029296    
 H   0.477833271       2.22337413       2.78141212    
 O   -2.21083975       3.38699818       1.27866507    
 H   -1.96128774       3.65412998       2.17469358    
 H   -2.75859475       4.10308504      0.923839271    
 O   -5.35710430       8.29337165E-02   6.39590693    
 H   -4.39422321       8.97605121E-02   6.33055305    
 H   -5.66409445     -0.447993577       5.65120840    
 O   -2.63157773      0.214285836       5.61609173    
 H   -2.93174839      -8.65570381E-02   4.74651718    
 H   -1.66759026      0.163574994       5.59714937    
 O   -3.16129971       2.93211246       5.65893173    
 H   -3.86393523       2.97477412       4.99362087    
 H   -2.93038630       1.99820638       5.74439716    
 O   0.138471037      0.220210597       5.13883924    
 H   0.321266532       1.06953347       4.69862223    
 H   0.919092536      -3.71061009E-03   5.63837385    
 O   -6.54354715       4.35728312       1.39790463    
 H   -6.02585649       4.06752491       2.16051388    
 H   -6.75325632       3.54403758      0.921601117    
 O   -5.91555500      -1.40498340       4.01378250    
 H   -6.06269455      -2.34760642       3.99354148    
 H   -5.02539873      -1.25389147       3.65175509    
 O   -7.90408182       5.20114946       3.80917740    
 H   -7.26235771       5.74639177       4.28196478    
 H   -7.61069632       5.15071487       2.89151883    
 O   -6.85329676       2.16127157       7.26875162    
 H   -7.34630680       1.88989758       8.03833485    
 H   -6.30007124       1.40266418       7.00708246    
 O   -5.04473305       3.19591832       3.60827041    
 H   -4.77774239       2.51674986       2.97376657    
 H   -5.89563131       2.94648123       3.99643826    
          69
 Energy    -249.93903170902149     
  O     17.51628301     10.72079397    -10.36509498
  H     16.88415808     10.65658370    -11.09511286
  H     13.65931930     10.91458387     -9.53570435
  O     13.48599693      6.56246269     -7.32649204
  H     18.20085890     10.05610835    -10.53329091
  H     18.07865069      4.70576617    -13.67457239
  O     11.97234093      8.46660157     -8.82857535
  H     13.14831792      5.89887629     -6.73034227
  H     17.15164086      5.94245401    -13.58657246
  O     15.69059408     10.11665557    -12.37818973
  H     13.96436810      7.20699823     -6.77580487
  H     15.45303629      7.39885872     -9.45258660
  O     19.19977643      8.54443571    -10.66644376
  H     12.51597178      9.24652781     -8.64949870
  H     14.51684798      6.29851199     -8.94688843
  O     20.87636661      8.40777578     -8.40638732
  H     12.37500518      7.74999938     -8.32529143
  H     19.32697567      8.34456168    -12.51514725
  O     17.75947964      6.13772001    -10.46292142
  H     15.24520882      9.27318427    -12.21295241
  H     18.91641917      7.17089885    -13.42030719
  O     11.75222180      8.76264496    -11.51056744
  H     16.16850152     10.00973378    -13.20996031
  H     18.95419189     10.65372127     -6.96229873
  O     17.69877182     11.57371858     -7.66386879
  H     19.85691129      8.52347204     -9.96096184
  H     19.89476611     10.45567512     -5.74850988
  O     13.31511850     11.19115571    -11.27272941
  H     18.65027257      7.75358859    -10.56215117
  H     17.46271803      9.86232808    -15.45755344
  O     15.10825455     11.26157241     -6.38454564
  H     20.48273763      9.00689559     -7.75200751
  H     17.94260801      9.00769119    -14.25953930
  O     13.84832966     10.54977978     -8.65930984
  H     21.82325292      8.48419575     -8.31635490
  H     16.55631218      8.66892892     -8.08950021
  O     17.93694020      5.51776135    -13.19580624
  H     17.82290742      5.82131826    -11.37293778
  H     16.60520103      9.51238203     -9.40253784
  O     15.09893368      6.52165217     -9.68086521
  H     16.82435403      6.13450756    -10.21831735
  H     14.88080102      9.33419834     -5.89606563
  O     19.18904227      8.09661872    -13.43904672
  H     10.85329698      8.64731042    -11.80548270
  H     15.84248607      8.14461789     -5.95222444
  O     19.59369210     10.04167015     -6.55288284
  H     11.75608264      8.60713219    -10.54849114
  H     14.49666936      7.19953298    -11.26525191
  O     17.16117496      9.42242083    -14.66759824
  H     17.59874905     11.45961993     -8.61839912
  H     13.36581965      8.00641044    -11.96213314
  O     16.06343615      8.90218508     -8.88695244
  H     16.82171930     11.50564492     -7.26784138
  H     19.80249506      6.77189121     -8.12580178
  O     14.90948218      8.37366364     -5.83126093
  H     14.12709569     10.99135400    -11.75731001
  H     18.66025134      6.00704705     -8.82657251
  O     14.27634864      7.70058459    -12.06185113
  H     12.70330652     10.47198896    -11.47310828
  H     18.20849317      8.71288943     -6.47146677
  O     19.06225878      6.17558775     -7.96320490
  H     14.69259368     11.96199645     -5.88746442
  H     18.00425925      7.28282758     -7.03165641
  O     17.54027197      8.04241966     -6.64878615
  H     14.56240833     11.12524973     -7.17946245
  H     15.20461603      7.10842163    -13.52694766
  O     15.84862649      6.89933869    -14.21841557
  H     14.57756994      9.91910639     -8.76174032
  H     16.19485136      7.74673566    -14.52293951
          69
 Ord_Energy   -249.938385    
 O   -3.77319860      -11.0790577       7.22370815    
 H   -4.42765617      -11.5628901       6.70186138    
 H   -3.87796617      -10.1500187       6.98109055    
 O   -4.26200914      -11.4097824       9.87818718    
 H   -3.56005025      -11.9258394       10.2663870    
 H   -4.05137634      -11.3257465       8.93194675    
 O   -5.86889505      -8.36795521       4.07698774    
 H   -5.31590652      -8.34839249       4.87061882    
 H   -6.58334160      -7.74217892       4.24348783    
 O   -5.98521709      -12.0700836       5.80313969    
 H   -6.03073978      -11.7207813       4.90374088    
 H   -6.73553467      -12.6709509       5.90816832    
 O   -9.23468590      -9.11258316       5.63802719    
 H   -9.18993473      -9.82447338       4.98458815    
 H   -8.92100239      -8.29131222       5.24113178    
 O   -5.01238537      -6.55919552       8.66394806    
 H   -4.92062187      -7.28386164       9.30904388    
 H   -4.49733210      -5.82989073       8.99812794    
 O   -7.57959890      -9.20638180       9.85936546    
 H   -7.35741377      -9.44997883       8.94545460    
 H   -8.33022499      -8.60672665       9.80854893    
 O   -8.99788952      -11.3693123       4.09100819    
 H   -8.16031933      -11.2199755       3.63460135    
 H   -8.81705284      -12.0286331       4.77855062    
 O   -8.45825958      -13.2781076       6.06806660    
 H   -9.10762215      -13.9567671       5.85012770    
 H   -8.70856571      -12.9203320       6.93374205    
 O   -6.36552382      -10.8798666       3.24497890    
 H   -6.17737770      -9.95784473       3.49875784    
 H   -5.86397505      -11.0553856       2.45348001    
 O   -7.10486746      -11.9209661       10.1545649    
 H   -6.14547729      -11.9116869       10.0626488    
 H   -7.34554243      -10.9908285       10.2735729    
 O   -10.6459475      -9.76949501       7.86072016    
 H   -11.4366627      -10.2538738       7.59368563    
 H   -10.1941881      -9.50934410       7.04167747    
 O   -11.6039858      -12.4478741       4.43737602    
 H   -11.9912262      -11.9624300       5.17595196    
 H   -10.8115263      -11.9657450       4.16769791    
 O   -12.7173853      -11.4113941       6.90740252    
 H   -13.6636572      -11.3850365       7.02331781    
 H   -12.4075565      -12.2398205       7.31699228    
 O   -7.02896261      -9.85006523       7.21391439    
 H   -6.69079065      -10.6736212       6.83965874    
 H   -7.75815487      -9.55856895       6.65245533    
 O   -9.26280117      -12.2481270       8.49050331    
 H   -9.60936356      -11.3529921       8.40097237    
 H   -8.51199532      -12.2237244       9.10212231    
 O   -10.7331820      -14.8229752       5.45974112    
 H   -11.1043139      -14.0375576       5.01835155    
 H   -10.9886122      -15.5801096       4.94034290    
 O   -4.70073748      -8.46017933       6.60526276    
 H   -4.62675190      -7.71962643       7.21741295    
 H   -5.52795887      -8.90656853       6.84696341    
 O   -8.04270554      -6.70788622       4.87850332    
 H   -7.87215137      -6.52608776       5.82131433    
 H   -8.34599400      -5.89183998       4.49043226    
 O   -7.65390062      -6.35154581       7.52696800    
 H   -6.80011129      -6.41295719       7.97242737    
 H   -8.32063103      -6.70211315       8.12823772    
 O   -4.92882919      -8.65632057       10.3682909    
 H   -4.56337833      -9.54237175       10.2647238    
 H   -5.88929605      -8.78334045       10.3569965    
 O   -9.73232746      -7.54616356       9.18546009    
 H   -10.4127560      -7.10731268       9.68968105    
 H   -10.1495905      -8.31582355       8.76173687    
 O   -11.6146889      -13.6640768       7.93700647    
 H   -11.3544703      -14.2259016       7.19701529    
 H   -10.7941761      -13.2920809       8.29193211    
          69
 Energy    -249.93832241694275     
  O      2.25065613      1.81721732     -0.81239329
  H      2.75233016      2.59981375     -1.02370851
  H     -0.80678430     -2.14608472     -1.30980944
  O      1.85126998     -3.02002817      0.38342313
  H      2.65320845      1.08364488     -1.31180009
  H     -1.70356981      0.70969454     -2.63926605
  O     -0.37698924      0.97202905     -1.38317960
  H      1.92690276     -2.54529341      1.22023943
  H     -3.10281207      0.06879139     -2.60542303
  O      1.78131160     -1.52470696      2.75285339
  H      2.69132894     -2.94360248     -0.08742873
  H      3.63057250     -1.04121888     -1.86979271
  O      2.60278599     -3.87152660     -3.26446639
  H      0.47403222      1.41413535     -1.28527912
  H      2.60968273     -0.55492633     -2.91396941
  O     -4.30566002     -0.61498536     -1.23793686
  H     -0.19161275      0.01807992     -1.35278170
  H     -4.18520150     -2.32235054      2.73189875
  O     -1.58455172     -3.81034524     -3.75718787
  H      2.27826433     -1.49491908      3.56554833
  H     -2.84611644     -1.58535394      2.94421403
  O     -2.02177862     -4.05201446      1.07837823
  H      1.71753010     -0.60884278      2.42503776
  H     -3.67456723     -4.16840772      1.77186256
  O      1.24158793     -1.48421730     -3.78916294
  H      2.17524241     -3.08371255     -3.62817147
  H     -4.79566086     -4.86062669      2.56265044
  O     -4.23232351      0.60452441      1.26346741
  H      1.89625488     -4.51607659     -3.13593974
  H      0.82798149     -4.54606971      0.12924122
  O     -2.51036443     -2.80636759     -1.33673168
  H     -4.29314345     -0.16461418     -0.37960826
  H      0.21290203     -5.37403290     -1.01886836
  O      0.05748077     -1.71520296     -1.30562036
  H     -5.22126061     -0.81381083     -1.42441712
  H     -0.35122505     -4.92915856     -3.25585640
  O     -2.39777802      0.34014209     -3.20299823
  H     -2.02213011     -3.52195534     -2.94337443
  H      0.18481852     -6.37607759     -3.32757994
  O      3.23403292     -0.24584925     -2.24322759
  H     -1.47739995     -3.01690236     -4.29344654
  H      3.61215600     -3.26259406     -2.01136007
  O     -3.80212547     -1.45362571      2.91958011
  H     -1.63459501     -3.29010744      1.53253111
  H      4.97228276     -3.16959958     -1.27726045
  O     -4.54704913     -4.02506811      2.17542743
  H     -1.29247025     -4.57917641      0.71828563
  H      1.75163478      1.26686136      0.93126013
  O      0.15436818     -5.21063532     -0.07018966
  H      0.50460703     -1.35824604     -4.39609603
  H      0.42436502      1.04058262      1.68697437
  O      0.33329256     -5.53045991     -2.91199464
  H      0.83441440     -1.63009917     -2.91981640
  H     -1.56297258     -1.00618138     -5.94725838
  O      4.08715937     -2.81635346     -1.28482300
  H     -4.78144191      1.26230448      1.68117923
  H     -1.69901778     -0.68526889     -4.44209821
  O      1.38332831      0.95481498      1.76707794
  H     -4.14807037     -0.13729493      1.89210016
  H     -2.34672262      0.86699510      1.21523628
  O     -1.26258496     -1.27410953     -5.08303497
  H     -3.15634932     -2.09692080     -1.24936532
  H     -1.13169574      0.89568606      0.24558425
  O     -1.39013582      0.76650366      1.17010631
  H     -2.46551381     -3.28256271     -0.49621012
  H     -0.11174826     -1.79080286      2.61901059
  O     -1.03113699     -1.76012781      2.33343368
  H      0.63358855     -2.17738018     -0.68442284
  H     -1.13563540     -0.92256358      1.85917208
          69
 Energy    -249.93792476887793     
  O     -5.34834035      6.51809767     -7.62191366
  H     -4.40128308      6.66533590     -7.50889950
  H     -6.57082514      5.31450507    -10.71377253
  O     -6.21527334      1.03361371     -7.63418607
  H     -5.47897494      6.13974711     -8.49969117
  H     -2.89620427     -0.11268212     -5.67259725
  O     -4.84650218      3.45055577     -4.90556184
  H     -5.36479516      1.50171608     -7.65029973
  H     -4.37460942     -0.26024356     -5.24942014
  O     -2.74042991      1.14184793    -10.59402686
  H     -6.32803570      0.78674619     -6.70990314
  H      1.24251227      3.65924669     -9.56648929
  O     -3.89371094      2.48926215     -7.34875518
  H     -4.01252117      3.94066309     -4.83530131
  H      0.39399472      3.32638352    -10.81154050
  O     -6.84297832      5.14634322     -5.85802726
  H     -5.54599851      4.07479264     -5.14130166
  H     -1.16652474      1.89892427     -6.44750879
  O     -7.37697360      3.54469387     -8.19983322
  H     -3.49794516      0.56815618    -10.40182564
  H     -1.44567557      0.56107234     -7.20177562
  O     -3.38668626     -2.18623852     -7.85913335
  H     -3.02842606      2.04471072    -10.39968068
  H     -0.79898989      4.01737710     -7.43962470
  O     -0.26685576      1.74061736    -11.68472530
  H     -4.21527085      2.93805870     -6.55694133
  H      0.48146547      3.25998051     -7.04003270
  O     -1.35071840     -0.44056746     -8.71284184
  H     -3.14067652      1.94974805     -7.07445725
  H     -4.38456872     -1.12364606     -9.09277653
  O      1.13414194      0.53474219     -9.50052232
  H     -6.31115012      5.70437238     -6.45565683
  H     -5.43120334     -0.00354246     -9.05805276
  O     -6.01094870      5.04346599     -9.99148635
  H     -7.47847744      5.71985014     -5.43839287
  H     -2.54937702      5.55855643     -5.72515024
  O     -3.61180883     -0.75556010     -5.56824819
  H     -7.31456119      3.99678639     -7.35006701
  H     -1.68964293      4.31575159     -5.47282241
  O      0.70388903      4.05692366    -10.26181730
  H     -7.11005666      2.62914647     -8.04612846
  H     -2.11441393      6.25961349     -7.82207337
  O     -1.69297873      1.08874964     -6.42889387
  H     -3.52224695     -1.73087799     -7.00842130
  H     -2.08377202      7.64722056     -7.14070633
  O     -0.39277096      3.51595796     -6.71896229
  H     -3.44115103     -3.12143269     -7.68360598
  H     -4.41448067      4.13036314     -9.98477150
  O     -4.78382552     -0.42996715     -9.63284652
  H     -0.25260867      1.58202471    -12.62557720
  H     -3.73789567      3.25897562     -8.88834650
  O     -2.46695185      4.78756323     -5.15072002
  H     -1.15755681      1.50263273    -11.37914251
  H     -6.33011125      0.74136626     -3.97106848
  O     -2.57278585      6.82901428     -7.17984919
  H     -1.81819274      0.11393740     -9.35391755
  H     -5.47040986      1.76747962     -4.73837251
  O     -3.61014795      3.64253271     -9.77257975
  H     -1.95088529     -1.15763519     -8.47341032
  H     -2.18387967      4.59013119     -9.26431179
  O     -5.83392905      0.86680571     -4.77619304
  H      0.81435578      0.88637488    -10.34070507
  H     -0.65275292      4.83016957     -9.41677084
  O     -1.42443528      5.04465182     -8.87331437
  H      0.38681364      0.03540858     -9.14401410
  H      1.70459005      1.85325443     -8.51470974
  O      1.94727588      2.67497664     -8.05111010
  H     -6.55326150      4.47872599     -9.41046756
  H      2.87114867      2.60094754     -7.82757586
          69
 Energy    -249.93709362772461     
  O     16.94703213     11.91776559    -17.83965163
  H     16.21956445     11.70782411    -17.22288525
  H     16.48711520      5.48330294    -12.71840302
  O     15.17868655      5.94414733    -13.77181292
  H     16.83970469     12.82930339    -18.09664266
  H     21.85928246      9.58109547    -16.66127902
  O     17.62968831     13.22764316    -10.96669991
  H     15.04198640      6.88617312    -13.60144214
  H     20.93303762      9.14129412    -15.50335101
  O     20.76421086      8.54983671    -13.88999784
  H     15.22400738      5.83875467    -14.72921976
  H     17.93846573      9.50254228    -15.22943645
  O     15.51303422      8.45163431    -17.01105030
  H     17.80938485     12.87741826    -11.85131739
  H     16.85922121      8.53986571    -15.78490994
  O     16.50987341     10.15183069     -9.43241955
  H     16.69787171     13.03853738    -10.80237601
  H     14.97722890     11.26971155    -15.18622294
  O     15.41600605      8.69445035    -13.22800193
  H     20.37124886      9.00969818    -13.13793961
  H     14.99178905     10.17816975    -16.29825046
  O     18.00111565     11.70464180    -13.28146044
  H     20.29223527      7.70727367    -13.95090483
  H     17.23894539      7.06314597    -11.30541905
  O     18.93101122      6.47488641    -14.17813091
  H     15.98313087      8.64463029    -17.83199930
  H     16.44255815      8.27947615    -11.81449734
  O     18.15768073      5.63785770    -16.74922709
  H     15.38196773      7.49524854    -16.95998926
  H     19.66585341     11.82581661     -8.88894503
  O     15.48059824      5.69487683    -16.61912638
  H     16.65434671      9.31999951     -9.90211380
  H     18.62651263     12.15598220     -9.98754958
  O     17.27384381      5.36627616    -12.15454482
  H     17.38742064     10.53200981     -9.30292471
  H     19.35828931     10.24005166    -10.97641852
  O     20.94308585      9.48222689    -16.41711812
  H     16.16493659      8.67661561    -13.84495785
  H     18.55908306      9.05558719    -11.57510745
  O     17.46503980      8.68370426    -15.04497153
  H     15.14896968      9.61998833    -13.18344288
  H     14.29020490     12.35843199     -9.98680471
  O     15.03035149     11.13036131    -16.13973665
  H     18.33591475     11.64858403    -14.18565205
  H     15.46973744     11.37317573    -10.15019896
  O     17.10309119      8.00605947    -11.15988141
  H     18.42343321     10.98854777    -12.78630461
  H     18.60281334      8.41534652    -18.46673874
  O     19.08313956     11.42758539     -9.52939612
  H     18.39942013      7.23575363    -14.46379535
  H     19.83633216      8.36345856    -17.53690809
  O     19.24520177      9.70835628    -11.77441561
  H     18.45368787      6.04964088    -13.45656957
  H     16.19298638     11.54889175    -13.35190228
  O     14.99452146     12.10781261    -10.57852526
  H     18.52977659      5.74360343    -15.86445757
  H     14.97518507     11.74880934    -12.43044978
  O     19.25247234      7.81912923    -18.07833189
  H     18.56624826      6.33123484    -17.28760290
  H     18.27289552     11.40989260    -16.59496809
  O     15.22778281     11.46091337    -13.31606323
  H     15.10767795      4.94875751    -17.08029647
  H     19.57591634     10.65425607    -16.14411077
  O     18.77316271     11.09466784    -15.83419221
  H     16.45080916      5.61641961    -16.69036885
  H     16.96556765      9.53222621    -20.06704443
  O     17.11651095      9.46185458    -19.12708652
  H     17.22740794      4.48570274    -11.79297354
  H     17.07965700     10.36274399    -18.76866066
          69
 Energy    -249.93585814624942     
  O     11.79852507     10.33808499    -15.06640026
  H     12.24999961     11.18517403    -14.98018381
  H     16.33165663      4.61200163    -15.84332780
  O     16.12756975      6.80252171    -13.04593868
  H     12.39216822      9.78357695    -15.59213599
  H     20.50860997      8.51256488    -12.18321932
  O     16.47151398     10.70552806    -10.76050505
  H     16.25761638      6.20005419    -13.78668812
  H     18.99864400      8.57978009    -11.85870904
  O     18.21989646     12.22850585    -14.81259919
  H     15.84331290      7.64154871    -13.44507173
  H     15.78594969     11.32569471    -16.80357310
  O     13.60506874      6.15357981    -15.63363667
  H     15.85011584     10.97673998    -11.45266538
  H     16.54918835     12.13876824    -15.72401597
  O     14.59560959      9.76671750     -8.97181141
  H     15.92193650     10.50798227     -9.98910242
  H     15.26490374      9.91676774    -13.67947802
  O     14.01902912      6.75997535    -11.24896425
  H     18.33426409     12.12051594    -13.85145218
  H     16.50447004      9.34433834    -14.45520213
  O     14.52682119     11.15604595    -12.62100239
  H     18.83259722     12.90765410    -15.08395573
  H      9.80220611      9.05640158    -12.99454803
  O     17.30241759      7.79575089    -16.89794326
  H     13.56090858      7.04611783    -15.99972196
  H     11.08148915      9.46840988    -13.76197077
  O     15.77227854      7.11631113     -9.02770748
  H     13.03478565      6.15703502    -14.85178060
  H     12.63214894      6.38711526    -12.52912570
  O     18.31908764      9.42743888    -14.86325541
  H     13.88588982      9.70501697     -9.62499191
  H     11.55831812      7.22030140    -13.24766232
  O     16.20051876      5.49989874    -15.52269254
  H     14.89062798      8.86180215     -8.81605752
  H     19.19346252     10.82923014    -12.21700127
  O     19.69628737      8.95065841    -12.42378412
  H     14.47111439      6.73015945    -10.39845219
  H     17.94030427     11.46009722    -11.59570801
  O     15.70054998     12.05200117    -16.17411182
  H     14.71158978      6.66590676    -11.91971143
  H     17.04048150      7.62215793    -11.73958091
  O     15.58773851      9.17314161    -14.20468799
  H     13.86756884     10.59559926    -12.18331766
  H     17.09371692      9.00676377    -10.98533645
  O     10.75084581      8.96391679    -12.99664060
  H     14.08257180     11.73582517    -13.25005266
  H     16.38472152      9.07546793    -17.65903817
  O     12.07923447      6.41188016    -13.31938824
  H     17.79462704      8.27555760    -16.21743915
  H     15.98846339      9.84993808    -18.93681390
  O     18.67354115     11.64114844    -12.20000840
  H     16.94949399      7.00530458    -16.47306174
  H     12.08485930      9.27480097    -11.76175573
  O     17.47199428      8.11398453    -11.02359813
  H     16.19302786      6.59436732     -8.34892131
  H     13.31044119      8.46037265    -11.29438787
  O     15.85870929      9.82439959    -17.99258419
  H     16.47398318      7.40846193     -9.63133608
  H     13.25891889     13.55153622    -14.87561201
  O     12.91942160      9.34554189    -11.28055205
  H     18.38397052     10.38561547    -14.96934719
  H     14.24638287     12.44065962    -15.30658099
  O     13.46899808     12.63020394    -14.75019986
  H     18.84074400      9.19499730    -14.08546587
  H     14.32575347      9.18478588    -17.05626415
  O     13.80307804      8.86923588    -16.31128319
  H     15.24338996      5.68226478    -15.58868170
  H     14.39249314      8.93846257    -15.54376849
          69
 Energy    -249.93583565246664     
  O     12.60950778      8.44479365    -16.06835477
  H     13.34177994      8.09863371    -16.59856536
  H     19.22927477      7.26074808    -14.19244858
  O     16.75312380     11.10520117    -12.05171107
  H     12.74878457      9.39621027    -16.01120329
  H     16.49224271     11.38396315    -16.27875294
  O     17.55616463     10.94242364    -14.76255251
  H     17.16668794     10.22791622    -11.98525931
  H     14.99692419     11.32159621    -16.65095402
  O     15.82673331      5.06027239    -16.32663247
  H     16.45790264     11.32199540    -11.15919794
  H     16.89232439      7.82867606    -14.90848296
  O     14.03184927      9.12154050     -9.35951429
  H     17.37141166     11.22220089    -13.85774516
  H     15.68674837      8.28396810    -15.74293501
  O     15.55728428      6.82082438    -11.67387944
  H     17.13264566     10.07495873    -14.86535629
  H     12.22608346      7.39513287    -14.74798258
  O     14.58435419     10.10141085    -13.43221230
  H     15.74702708      4.14804429    -16.59079689
  H     11.22644620      6.38832844    -14.13036710
  O     18.92582988      8.15033300    -17.40542210
  H     15.37547821      5.14683417    -15.46576085
  H     17.85628052      8.81571659     -9.96760917
  O     15.82443933      6.92563457     -8.85540748
  H     14.52061109      8.33722516     -9.08120393
  H     17.13306070      9.79397320     -9.02849980
  O     20.02548855     10.06003652    -15.58569390
  H     13.57639929      8.87020916    -10.17403798
  H     13.71627598      5.82136464    -13.97099286
  O     18.09837513      6.47781557    -15.40936479
  H     14.74753990      7.34476761    -11.75262350
  H     15.04243835      5.79290888    -13.18144118
  O     19.66426621      7.92640997    -13.64011149
  H     15.67432978      6.66585316    -10.72776821
  H     18.49397774      8.32416197    -12.38619883
  O     15.88543019     11.31217859    -17.02676851
  H     15.23653580     10.56673148    -12.89188903
  H     17.06031270      7.92936230    -11.87752473
  O     16.20572006      8.50493073    -14.95960005
  H     15.07972882      9.43270721    -13.93148122
  H     15.54350900     11.84473504     -8.75055949
  O     12.07815439      6.79484974    -13.99492466
  H     18.20634856      8.57825409    -17.88473049
  H     15.11559656     10.50205394     -9.38525013
  O     17.61672668      8.96001643     -9.03982815
  H     19.37974490      8.84213606    -16.90726648
  H     16.36740574     10.05639260    -18.13682570
  O     14.59928292      5.43284746    -13.96015225
  H     15.99176069      6.33250700     -8.12845588
  H     16.63302376      9.59750328    -19.59057459
  O     17.77278243      8.57552225    -11.79161327
  H     16.52279506      7.60465122     -8.83141705
  H     13.57591961      9.02792375    -12.42775337
  O     15.79881793     11.19634054     -9.40129097
  H     19.20233706     10.48136941    -15.28714970
  H     12.66933878      7.77704264    -12.52548592
  O     16.63419251      9.29712700    -18.68546601
  H     20.69220238     10.74183838    -15.60657110
  H     12.80029608     11.91133675    -15.43841779
  O     13.17221677      8.31854023    -11.90522019
  H     18.42127479      6.97093951    -16.18229838
  H     13.75968303     10.88225683    -14.79538994
  O     13.37805183     11.17902397    -15.63947532
  H     17.43659343      5.85421883    -15.72619576
  H     15.52357644      8.01950583    -17.88961622
  O     14.92956284      7.55565707    -17.28589178
  H     19.94475011      8.62272377    -14.24393204
  H     15.27255253      6.66680483    -17.12377002
          69
 Energy    -249.93463561355836     
  O     11.97377917      7.13646670    -15.17132841
  H     11.81390698      8.08740551    -15.18791497
  H     18.90195240      9.89249727    -13.99605640
  O     15.18787495     11.23694031    -11.95220195
  H     12.74423548      6.98513672    -15.73415030
  H     14.52464827     11.20422212    -16.01898952
  O     15.77431980     11.38019980    -14.67980032
  H     14.87796493     11.40559073    -11.05089370
  H     14.30015168     10.30104266    -17.25569685
  O     16.10921534      4.87015997    -15.46475359
  H     15.88472518     10.56987137    -11.85254541
  H     15.49369905      9.54170039    -14.59867931
  O     13.12679261      8.71954376     -8.56725654
  H     16.72399075     11.45245747    -14.83985597
  H     14.52326648      8.70252786    -13.75394540
  O     15.50561434      6.99396566    -11.01013278
  H     15.60826812     11.53712965    -13.74017486
  H     12.01436774      6.14544038    -13.74207140
  O     13.14257875      9.54278160    -12.74609685
  H     15.70525201      4.91908270    -14.57744983
  H     11.44823177      4.90677925    -13.00852757
  O     17.75194435      9.18240682    -16.99673554
  H     16.34845805      3.95936806    -15.60917617
  H     17.24860446      9.81234074     -9.72698120
  O     15.77926112      7.61662069     -8.33453690
  H     12.36867851      8.63850092     -7.99363158
  H     18.04802638     10.40545099     -8.54476963
  O     18.48678411     11.19804181    -15.35683108
  H     12.89865449      8.26382040     -9.39442765
  H     13.98338159      5.21714649    -13.01240862
  O     17.58376835      7.24025337    -14.95070543
  H     14.55925705      7.18413933    -11.05446434
  H     15.29146867      5.70453263    -12.34993055
  O     18.93919137      9.13951445    -13.39438533
  H     15.72694693      7.03600957    -10.06775791
  H     17.78510209      9.21263465    -12.06566085
  O     13.84994694     10.88605572    -16.63575610
  H     13.75805409     10.24351258    -12.48916731
  H     16.58195968      8.45006162    -11.39463438
  O     15.24359333      8.63151300    -14.38999894
  H     12.63723774      9.82583428    -13.51795445
  H     15.45720967     10.88874978     -8.97342997
  O     12.11038941      5.59019803    -12.94752997
  H     16.92761156      9.13241277    -17.49346999
  H     14.00594053     10.39403231     -9.01720061
  O     17.19192916     10.06370065     -8.78849428
  H     17.76359643      8.41643688    -16.40645287
  H     14.99708393      8.69261151    -19.14933946
  O     14.94419572      5.15219056    -13.06257414
  H     16.33892074      8.40339647     -8.32492022
  H     14.89143323      8.14805535    -17.70568616
  O     17.07520175      9.28108633    -11.41174482
  H     14.87493016      7.94783188     -8.26143251
  H     12.40851720      6.79801978    -11.55509529
  O     14.57079319     11.13412874     -9.26931443
  H     18.27275558     10.52088910    -16.02527496
  H     12.79262995      8.29830203    -11.60973412
  O     15.17954745      8.90870559    -18.23809956
  H     19.13278266     11.77958991    -15.74819867
  H     11.00952917     10.53340540    -15.33471702
  O     12.72325131      7.53253973    -11.01559125
  H     16.80167630      7.70730279    -14.61677911
  H     12.49233755     10.32842583    -15.72376301
  O     11.77808676     10.00087607    -15.14817189
  H     17.28450477      6.34697005    -15.15054373
  H     14.70271029      7.57112450    -15.72211266
  O     14.48221489      6.95699993    -16.44218693
  H     18.66857397      8.37121950    -13.91559300
  H     14.99161018      6.15582648    -16.26877991
          69
 Energy    -249.93431068081020     
  O     18.33525681      6.04399399     -9.41702352
  H     17.52012919      5.52703841     -9.34402674
  H     16.62887286      7.14419125    -15.55648574
  O     17.80742874      8.58804011    -15.43225463
  H     18.13971349      6.89447091     -9.00774893
  H     12.15309992      4.53403570    -13.47022815
  O     13.15083239      7.63502587    -12.34579517
  H     18.47652135      8.86804882    -16.05088130
  H     11.51290930      5.78780587    -14.08170138
  O     15.66969861     10.22487639    -14.45205140
  H     18.26077511      8.41436452    -14.58664330
  H     16.21988303      7.76806351    -11.30307271
  O     17.33259745      9.20611171    -11.05797781
  H     14.01512827      7.35777041    -12.00226370
  H     15.70825100      6.43502429    -10.66602550
  O     18.95008861      8.12401034    -13.04357625
  H     12.63755728      6.83631134    -12.51181108
  H     20.15655111      5.04843525    -11.78932659
  O     12.54553456      4.64712179    -10.63503805
  H     16.45049227      9.77648054    -14.79805745
  H     19.03293180      5.73658900    -10.98109887
  O     13.19578025      3.05484931    -14.03717381
  H     14.92369386      9.66315986    -14.69777512
  H     14.18811631     10.26265709    -10.93582652
  O     17.40001379      8.54761925     -8.35351633
  H     16.76734061      9.96432993    -11.25526622
  H     13.25688779      9.04890742    -11.09848980
  O     11.72951812      6.61133345    -15.81098074
  H     17.42231599      9.12573815    -10.09954978
  H     14.30030804      8.76812309     -9.06222891
  O     13.86289388      4.69127989    -16.08512861
  H     18.46276731      8.57038279    -12.33670479
  H     14.22018822      7.42018471     -8.30135345
  O     15.97548202      6.44835168    -15.41016849
  H     19.18812248      7.25743089    -12.69526228
  H     13.56745726      8.07875792    -14.01087819
  O     11.68452156      5.34783862    -13.24014091
  H     12.00223372      4.91072174    -11.38550895
  H     14.54950545      7.56951070    -15.10650101
  O     15.65973632      6.99520787    -11.45021688
  H     13.34617796      4.26774046    -11.02175250
  H     15.57822374     12.13738665    -11.94748954
  O     19.35040654      5.54846131    -11.88294914
  H     13.50481800      3.57002508    -14.80409151
  H     15.58864183     10.87902493    -12.84604702
  O     13.58809714      9.68456782    -10.45050278
  H     12.83426189      2.24114268    -14.37865609
  H     12.87580942      5.36185199     -7.57060966
  O     14.73900912      8.22639393     -8.38904482
  H     17.65938239      8.97317453     -7.54133351
  H     12.98725191      5.37340198     -9.11240077
  O     13.80428559      8.16721567    -14.94776846
  H     16.43324081      8.42153727     -8.30922539
  H     17.74813703      5.15691130    -12.79591067
  O     15.56484696     11.18437922    -11.92125699
  H     12.40860408      7.27039940    -15.58496573
  H     16.40723015      5.88718380    -12.58815220
  O     13.40577616      5.69039403     -8.29208444
  H     11.11747249      7.03945949    -16.40368891
  H     15.04188806      5.08217774     -8.96265322
  O     16.83209945      5.17669900    -13.09723452
  H     13.11205884      5.29402837    -16.15046352
  H     15.53417727      4.27406354    -10.20060244
  O     15.81333225      4.89029637     -9.51110754
  H     14.64794260      5.24686649    -15.99031276
  H     15.61549253      4.04213680    -12.32279026
  O     14.89810276      3.57964192    -11.86588325
  H     16.30001190      5.92966801    -14.65989154
  H     14.33330239      3.24043892    -12.57226129
          69
 Energy    -249.93393266102132     
  O     14.58687149     11.72579499    -10.68756722
  H     13.73197812     11.68867645    -11.13611685
  H     18.04217209      9.93737405    -10.26388774
  O     15.89546192      7.39604993    -15.21161397
  H     14.59783409     11.02367757    -10.02666808
  H     15.97973173      8.07884450    -13.54123910
  O     14.08659899      5.18680847    -11.54386204
  H     16.84505051      7.44546324    -15.38047855
  H     16.13374722      9.36493743    -12.67136538
  O     10.55286562      6.68156185    -13.59041485
  H     15.70342858      6.50286774    -14.88706066
  H     11.41892678     11.95188998    -12.36787741
  O     13.42646093      8.64183481    -15.26258927
  H     13.96787714      6.10751259    -11.26766514
  H     12.12783909     10.58265088    -12.47613491
  O     13.98552668      7.87698124    -10.93527392
  H     13.22195574      4.85459319    -11.81529102
  H     12.46176339      4.25594838    -14.33203328
  O     19.56190595      8.51114065    -12.93632439
  H     10.77702925      6.69254381    -14.52930820
  H     13.86448192      4.51525125    -14.90406210
  O     11.71180311      6.61944805    -16.21425130
  H     10.96872044      7.47004623    -13.21668171
  H     13.50685769     11.53050370    -13.90922740
  O     17.92007812      6.92954770    -11.24373267
  H     12.81442211      8.03230186    -15.69385833
  H     13.90010204     10.46533682    -14.94958409
  O     18.70879540      7.41838293    -15.27636128
  H     14.30609208      8.24516199    -15.33784026
  H     15.61201933      4.85401408    -10.60941669
  O     18.14104135      5.15973835    -13.56900291
  H     14.70316923      8.06139747    -11.56364693
  H     16.69564534      3.91518946    -10.05383158
  O     17.61207488      9.30666191     -9.67425528
  H     14.20884886      8.35999011    -10.13112282
  H     15.01239727      5.03582914    -13.15062166
  O     16.03210571      8.40467578    -12.63446828
  H     19.21143317      7.90652146    -12.26980798
  H     16.38661490      4.84764715    -13.86128933
  O     12.27723264     11.53582246    -12.35837604
  H     19.39026869      9.39698300    -12.59388212
  H     11.17160401      5.20847427    -12.89083878
  O     12.93326986      4.44092122    -15.15318769
  H     11.34751056      6.41914355    -17.07216125
  H     10.91623004      3.80591444    -12.28946854
  O     14.17862745     11.30602520    -14.56447742
  H     12.18006933      5.81947484    -15.91354459
  H     17.89766335     11.12139744    -12.18389543
  O     16.49123506      4.83590495    -10.20068074
  H     17.46650965      6.20840036    -10.78274000
  H     19.17767392     11.81134217    -11.65796695
  O     15.43564432      4.94509285    -14.01475392
  H     17.25058325      7.43217172    -11.73653706
  H     12.73241890      8.48367731    -12.07631744
  O     11.60669425      4.38972393    -12.59186151
  H     19.04625538      7.88108703    -14.48876061
  H     12.64957673      8.76036080    -13.61283709
  O     18.75234564     10.96225489    -11.74638135
  H     19.37717064      7.50309978    -15.95115094
  H     14.95982862      9.54065940     -7.95245053
  O     12.16391620      8.83282345    -12.77717578
  H     18.18453420      5.62660614    -12.72671551
  H     15.94941770      9.45692122     -9.13669498
  O     15.00499090      9.51310029     -8.90451519
  H     18.44268235      5.79649834    -14.22873001
  H     15.66135779     11.28047269    -13.52680660
  O     16.24967785     11.17409025    -12.76654769
  H     17.82026071      8.43474354    -10.03104145
  H     15.73631196     11.43605605    -11.98531378
          69
 Energy    -249.93284850274972     
  O     17.29579730      7.59097332    -11.57373444
  H     17.59131226      7.26551229    -12.43344401
  H     12.78731908      8.62769205    -13.69974753
  O     13.39999448     12.20885604    -12.87273328
  H     17.91382885      8.26834406    -11.26117845
  H     17.80073138     11.69545207     -6.34416829
  O     17.86908897      6.85204623    -14.22470891
  H     13.76589436     12.02638087    -11.99507696
  H     17.90245664     10.46510811     -7.27870514
  O     11.70643083     10.11996554    -13.16696544
  H     14.13559064     12.55848960    -13.38849160
  H     14.97304429     10.59649260    -11.35798829
  O     15.27561077      7.04311236     -9.76312960
  H     17.06047586      7.10761570    -14.70448562
  H     14.26985464     10.60156593     -9.98122510
  O     18.77103262      9.71051144    -10.60438147
  H     18.17050654      6.03493476    -14.61281464
  H     18.84826632      9.11535078     -8.80686912
  O     20.04892128     10.99654384    -12.74224108
  H     12.31073515     10.88108362    -13.09815565
  H     18.08961819      8.26008657     -7.75402834
  O     17.17747198     11.87070756     -9.80364313
  H     11.01198612     10.38064748    -13.76689364
  H     16.08433476      7.88319162     -6.97544917
  O     11.38012599      8.84304462    -10.67678436
  H     15.98478479      7.16371943    -10.41070410
  H     16.63375931      6.49990662     -6.54850093
  O     15.65268454      7.77579770    -15.50531118
  H     15.70969449      6.91458916     -8.91045786
  H     16.12577061      8.80003378    -12.21227393
  O     13.02104881      6.56311604    -11.42455214
  H     19.34260110     10.08758607    -11.28452515
  H     14.75966946      8.88159279    -12.94902624
  O     13.44261365      7.92339832    -13.76493071
  H     18.18060198     10.42787683    -10.33061578
  H     18.04773992      9.91945234    -14.86570432
  O     17.36161352     11.24676260     -7.06200967
  H     20.94189599     11.22225492    -12.98699342
  H     18.69278465      8.56010055    -14.53876318
  O     14.67161215     11.18004503    -10.64138138
  H     19.68771467     10.44784391    -13.46244968
  H     16.12281205     11.43794475    -14.92638422
  O     18.68506814      9.01175042     -7.86019013
  H     17.22749228     11.81162997     -8.84258415
  H     16.04439559     10.14887741    -14.10072235
  O     16.59321847      7.10977035     -7.28042852
  H     16.25612216     11.69821552    -10.05066638
  H     14.20473529      8.46698872     -9.31301692
  O     15.46487452      9.41371975    -12.55666798
  H     10.45064436      8.84991432    -10.45903750
  H     12.79467144      9.09712615     -9.46753182
  O     18.88969845      9.49759786    -14.64270302
  H     11.47262590      9.32172526    -11.51495112
  H     18.60624735     12.26751859    -12.57345543
  O     16.29946450     10.49221200    -14.97172085
  H     14.81680057      7.70047253    -15.02537723
  H     17.61991968     12.63318780    -11.45391505
  O     13.64021497      9.19637059     -9.01430927
  H     15.82411805      8.72388076    -15.58055860
  H     16.51328463     13.04855549    -13.51776908
  O     17.81998051     12.79277896    -12.38552301
  H     12.38973944      7.19898166    -11.06798017
  H     15.89694638     14.00982651    -14.55738317
  O     15.79358847     13.14569214    -14.16770962
  H     13.78196167      6.57741034    -10.82867379
  H     15.81404471     10.12056686     -6.78846535
  O     15.21254597      9.37263359     -6.68928074
  H     13.28845507      7.31773403    -13.02296947
  H     14.56259560      9.43511597     -7.40256850
          69
 Energy    -249.93251513912693     
  O     14.25876785      9.40306170    -10.82046005
  H     14.04516505      9.98869591    -11.55966524
  H     18.85885306      4.69307415     -9.73772806
  O     13.04347437     10.01412362    -16.68537266
  H     14.99225338      9.77606033    -10.31581277
  H     13.09302782      8.09594721    -10.36903788
  O     16.35343994     11.31678741    -13.78074286
  H     12.84075277     10.85540260    -16.25745562
  H     12.37959061      6.89980661    -11.04240577
  O     14.05642317      4.38067353    -12.98082466
  H     12.86805358      9.33481655    -16.02171728
  H     17.37359880      7.90264575    -12.72020591
  O     16.82381277      7.37567339     -8.72265020
  H     16.94702645     11.19117774    -13.02639460
  H     18.01792100      8.45792873    -14.01759395
  O     15.46659189     12.67955598    -16.04107289
  H     15.46304667     11.05902180    -13.50876042
  H     13.79446632     12.65666286    -15.52246751
  O     15.71165712      7.38540019    -12.11511887
  H     14.49985206      4.43161921    -12.12099317
  H     12.39795764     13.27998637    -15.27958771
  O     13.68190566     10.62248130    -13.22330081
  H     14.76791502      4.30556252    -13.62529797
  H     13.78493395      7.81820790    -14.73444852
  O     18.00986357     10.59506459    -11.73144896
  H     15.97422097      6.96001450     -8.52841056
  H     12.49716283      7.59551482    -13.91870492
  O     18.46922179      5.34645016    -12.80968344
  H     17.35176810      6.71387888     -9.18403826
  H     15.56098810     10.22644199    -18.62869442
  O     16.37894096      4.57882045    -14.68855962
  H     15.60548389     11.99494815    -16.70606893
  H     14.66136997     10.13545614    -17.37449507
  O     18.15751574      5.20921714    -10.12603931
  H     15.91605480     12.36205409    -15.24372310
  H     11.20072891      5.70225977    -12.88944114
  O     12.63109041      7.26441139    -10.18646489
  H     15.61199306      6.56468597    -11.61943736
  H     12.73466398      5.52093909    -12.89638470
  O     18.22284287      8.11895303    -13.13728287
  H     15.20300350      8.06637454    -11.65817372
  H     13.80589694      5.79680625     -7.63703952
  O     12.89338870     12.46968215    -15.20177025
  H     13.41385608      9.78850331    -13.63610866
  H     13.61848685      6.51622880     -8.99574708
  O     12.94382251      8.23171535    -14.48959270
  H     13.31572239     11.32750082    -13.77126296
  H     16.38013159      4.85224385    -10.44841751
  O     15.57396785     10.28998398    -17.67744791
  H     18.28833609      9.74937675    -12.10558780
  H     14.98994145      5.19445466     -9.85045515
  O     12.02255386      6.17597931    -12.78507368
  H     17.59122102     10.39637728    -10.88539030
  H     16.00854102      7.85995139    -15.15505347
  O     14.27391471      6.08826586     -8.41423575
  H     17.81364489      4.99960654    -13.42518571
  H     15.47444857      7.18699926    -13.85738491
  O     15.43953990      4.91562606    -10.65859242
  H     18.56255668      6.28777528    -13.01268230
  H     16.71358264      9.06478540     -9.10706875
  O     15.44775224      7.14297262    -14.82786474
  H     16.54308849      4.16496993    -15.53260072
  H     16.72720493     10.51138348     -8.55816224
  O     16.57014324      9.99802363     -9.34643095
  H     16.05932717      5.47812771    -14.87612361
  H     16.69277028      9.55583142    -16.35649641
  O     17.05075744      9.27477898    -15.50521696
  H     18.33895957      5.24917624    -11.08233162
  H     16.85148628      9.99891431    -14.89159523
          69
 Energy    -249.93234018465483     
  O     16.55108395      7.64639511    -13.06047825
  H     16.27845758      6.72263740    -12.96791459
  H     13.00399114      9.58572314    -14.58404234
  O     12.88218885     12.01190972     -9.87841021
  H     15.86825263      8.16918744    -12.61126299
  H     17.33658994     10.37750718     -7.28892740
  O     16.07192312      9.16610480    -15.27143025
  H     13.25477338     11.34067041     -9.27650752
  H     17.21873938     10.55073346     -8.81905702
  O     11.37924717     10.29953812    -11.64968856
  H     12.47240809     12.67593275     -9.33074955
  H     14.47103430     12.04104805    -10.90214058
  O     15.36589727      5.26382406    -12.51834741
  H     15.85541748     10.02289793    -14.87653706
  H     15.09224592     10.75899227    -11.48003226
  O     18.54557663      8.78831975    -11.59391661
  H     16.32474556      8.57091095    -14.54720290
  H     17.85141768      7.87534564    -10.08613843
  O     20.35496639      9.85321922    -13.47396380
  H     11.82400451     10.89939977    -11.03995632
  H     17.12647444      8.33766595     -8.81051865
  O     17.75821509     11.18756933    -10.41018820
  H     11.80117367     10.42735532    -12.51144685
  H     15.53478737      4.97285721     -9.06500158
  O     11.22262686      7.60099101    -11.43706830
  H     15.34078446      5.29599545    -11.55505345
  H     16.09489808      6.32806537     -9.55644515
  O     12.95809015      6.36182087    -13.40090565
  H     14.48966602      5.54616793    -12.82312312
  H     13.91191974      9.37757906    -12.49050020
  O     13.52741328      8.14997971    -15.63563830
  H     19.26503968      9.06115354    -12.17506495
  H     14.18177635      8.64689517    -11.12745042
  O     12.97010827     10.28357690    -13.91710216
  H     17.89302292      8.34243471    -12.15592843
  H     18.42360761     11.21436096    -15.47332329
  O     16.85011990     10.07905724     -8.05378844
  H     19.79045974      9.93355503    -14.26364009
  H     17.84872729      9.79601560    -15.63270129
  O     15.23716602     11.71585179    -11.38882369
  H     21.22011580      9.59401136    -13.77921106
  H     18.33381439     12.79109765    -13.97706287
  O     17.30393348      7.56205807     -9.35511329
  H     17.99865076     10.35156952    -10.83967176
  H     18.09923866     13.77435313    -15.14917493
  O     15.36276765      5.69402148     -9.66481288
  H     16.89647479     11.46379893    -10.75685935
  H     12.63594263      7.50738119    -10.22445540
  O     14.59565044      9.12398171    -11.85789695
  H     11.20591877      8.57348469    -11.49024726
  H     14.00216001      6.92688317     -9.70329000
  O     18.67676922     10.28794580    -15.57285916
  H     10.31783507      7.31549691    -11.34121044
  H     19.76491303     11.55079910    -12.80923431
  O     17.84017889     12.92318714    -14.80670475
  H     12.32944025      6.79648133    -12.81366965
  H     18.80813872     12.10247168    -11.73663403
  O     13.44613620      7.71649033     -9.74222868
  H     13.08669646      6.94403889    -14.15798206
  H     15.37921946     11.80781948    -13.20166397
  O     19.25279863     12.33144196    -12.56165403
  H     14.45635265      8.43499079    -15.61615476
  H     16.16074315     12.20230862    -14.47329337
  O     15.40177929     11.69314363    -14.16289127
  H     13.34624062      7.86686389    -16.52848268
  H     14.95365061     10.07560220     -8.20575127
  O     14.00311519     10.08252448     -8.36763910
  H     13.68991683     10.89713157    -14.11564550
  H     13.77667766      9.21396284     -8.72835414
          69
 Energy    -249.93211608285671     
  O     11.71916926      9.95160856    -11.04212254
  H     11.24143507     10.75310422    -10.79534911
  H     15.44683364     14.23561860     -7.32230690
  O      8.49820955     10.72956001    -12.00927839
  H     11.38967647      9.72017651    -11.91982427
  H     10.61907250     12.54927151     -9.14477593
  O     14.32828203     10.28546136    -10.34485359
  H      8.34733424     10.04354217    -11.34763735
  H     11.72600486     12.13210399     -8.13158209
  O     14.70518843      7.49354347    -10.57592459
  H      9.08243496     10.32615756    -12.66784673
  H     12.24442109      8.07283215     -8.51237679
  O     12.68738190     15.74171646    -11.02495467
  H     13.42044258     10.21073922    -10.68516157
  H     11.94341138      8.51123192     -9.96810882
  O      8.34738208      8.68290359     -9.99704806
  H     14.69589702      9.39559822    -10.37650080
  H     12.44039648      8.95576154     -6.02046610
  O     12.31235841     13.40123191    -12.54350761
  H     15.21482112      6.76525977    -10.23114577
  H     12.72015047      9.90678832     -7.20619342
  O     15.16203343     14.40700308    -10.46603693
  H     13.83826344      7.46710100    -10.13524443
  H     14.77444529     11.57074927    -11.50689412
  O     10.20042635      6.81609658    -11.11709539
  H     12.42414831     15.51993502    -10.11397822
  H     14.93966062     11.71477280    -13.03077910
  O     12.18667168     15.01238734     -8.44892259
  H     12.45388453     16.65566204    -11.16316235
  H     11.04860951     10.22118453    -14.06046636
  O     13.96417037      8.10566526    -13.27874023
  H      8.82161618      9.13342823     -9.27670721
  H     10.78685747      8.69235749    -13.78495040
  O     14.75360257     13.84379535     -7.84658086
  H      7.49280538      8.44322440     -9.64594793
  H      9.60689815     11.93076897    -11.29473458
  O     10.84851699     12.53099447     -8.19975096
  H     13.17685624     12.98677083    -12.41322218
  H     10.94239202     12.74306718    -11.51082461
  O     12.23034227      7.75871397     -9.42404423
  H     12.37233307     14.27552028    -12.13771165
  H      9.89540298     10.89494096     -7.99446825
  O     12.25945380      9.09082627     -6.94718302
  H     14.41992666     14.96473317    -10.73118026
  H     10.45564351      9.54518303     -7.54741454
  O     14.85998605     12.22526209    -12.21567839
  H     15.21219559     13.70163416    -11.12433921
  H     12.06715118     12.26727408    -14.07161847
  O     10.52372834      9.58720921    -13.54768780
  H      9.49973480      7.41701806    -10.83278500
  H     13.00397111     11.20629913    -14.68767159
  O     10.34851096     12.36697142    -10.84823009
  H     10.88854797      6.89868162    -10.44465145
  H     15.31464844     10.25530656    -15.13463321
  O      9.69681542      9.94974466     -7.98077850
  H     13.04046109     14.71918048     -8.10886825
  H     14.47106886      9.61048576    -14.01072718
  O     12.09007510     11.51608101    -14.67845899
  H     11.57812248     14.28094285     -8.28256699
  H     10.93906498      6.82559621    -12.70423797
  O     14.73698373     10.46063072    -14.40418859
  H     14.27206879      7.84110078    -12.40440500
  H     11.12176964      6.15725240    -14.08659101
  O     11.39637979      6.90375276    -13.56081864
  H     13.11983458      7.65821937    -13.41466963
  H     13.93638220     12.19016015     -7.78913950
  O     13.46275012     11.36304067     -7.94451325
  H     14.97279683     14.02264884     -8.77933615
  H     13.81959341     10.99592928     -8.76625284
          69
 Energy    -249.93210400537259     
  O     12.98118915      9.57145345    -16.40599698
  H     12.88086681      9.50263422    -15.43912891
  H     19.43943196      6.99853043    -12.20370463
  O     16.56029013      5.72882260    -12.93962071
  H     12.14657175      9.88029593    -16.74775226
  H     16.70917123      9.87884925    -17.62379193
  O     19.83992058      9.65700183    -16.76446906
  H     16.39876251      4.96547426    -13.50678108
  H     18.20184996      9.46250279    -17.71076605
  O     13.59275028      5.22309416    -14.90034545
  H     16.58192803      6.50013620    -13.52639037
  H     17.38564965      7.60478375    -15.16283439
  O     16.85102389     10.22863742     -9.82929839
  H     20.64698776      9.98956749    -17.14834086
  H     15.83507653      7.56775207    -15.42533551
  O     14.63462242      7.02585690    -11.40707448
  H     19.61441599     10.25241342    -16.02891061
  H     12.54225518      8.34538512    -13.45553949
  O     16.39524354     10.35886498    -13.97377789
  H     14.34920093      4.62744545    -14.87772753
  H     13.34037422      9.59965582    -13.04287738
  O     17.57408839      5.19157130    -16.70860538
  H     13.81784481      5.89362361    -15.56215141
  H     12.75684914      6.02594275    -13.62185550
  O     16.69396073      7.54364692     -9.54379109
  H     16.89580890     10.67038355     -8.98580855
  H     11.48473943      6.12620005    -12.74489474
  O     19.11945495      7.21447907    -15.53802506
  H     16.83394477      9.27146491     -9.64566026
  H     19.30484035     10.99651882    -13.76516700
  O     16.09260868      3.80889838    -14.90861026
  H     13.76765911      6.82438399    -11.77959226
  H     18.08290303     11.17985128    -14.64614278
  O     19.69519630      7.62341624    -12.89085757
  H     15.27096439      6.51615746    -11.92862237
  H     18.78571220      4.97668981    -10.75525145
  O     17.32772507      9.28457058    -18.07345076
  H     15.76900393     10.33491349    -13.23904497
  H     17.81772888      5.73113662    -11.69830833
  O     16.51636418      7.77887721    -14.77443580
  H     16.45338829      9.44429527    -14.29819069
  H     18.13379323     10.18909474    -11.24261698
  O     12.75908209      9.24675135    -13.72605360
  H     17.16970664      5.67973756    -17.43552105
  H     17.83923607     10.12968966    -12.74270767
  O     12.32522370      6.54185157    -12.91641506
  H     18.24139398      5.78199863    -16.33199467
  H     16.72462838      7.75387188    -18.49220649
  O     19.04743336     11.21414816    -14.66850777
  H     15.88591879      7.30206501    -10.01638401
  H     16.29519788      6.76933431    -19.60824368
  O     18.48211949      5.84832442    -10.99671510
  H     17.39161452      6.99099997     -9.91690943
  H     14.75697284      8.85091342    -11.67394262
  O     18.55920616     10.07252671    -12.09976842
  H     19.45900798      7.98127110    -16.01448411
  H     15.37498557     10.12487628    -11.07019528
  O     16.32222833      6.88096914    -18.66236066
  H     19.40653234      7.29914706    -14.61468730
  H     15.76753266     10.82689359    -15.69880969
  O     14.79297319      9.81403944    -11.77392952
  H     16.24515398      2.87790286    -15.04413622
  H     14.61553737     10.50080371    -16.65154366
  O     15.52365507     10.82642851    -16.63235127
  H     16.61941395      4.27802566    -15.58152260
  H     13.94749269      8.01637859    -16.67563527
  O     14.46809565      7.20574640    -16.60993767
  H     19.38216412      8.48458940    -12.58251993
  H     14.98836448      7.09908948    -17.41662245
          69
 Energy    -249.93205095785706     
  O     11.81249191      9.32754504    -15.46224141
  H     11.53917623      8.82500236    -14.68512637
  H     15.32626581     11.45544034    -16.72298575
  O     16.43398840     10.63158222    -11.48473667
  H     12.02130250     10.22178857    -15.16574530
  H     15.97384795      9.61535317    -14.50210977
  O     14.30925935      5.64377626    -16.25233497
  H     15.51433396     10.65215928    -11.78832721
  H     14.84788518      8.82975966    -15.26642986
  O     13.88951370      8.72412810     -8.55006138
  H     16.40293106     10.62767426    -10.51977602
  H     11.60696655      7.97083918    -12.40679338
  O     14.75462392      6.51578398    -11.42653327
  H     14.03023850      4.81604545    -16.63313190
  H     10.26637786      7.41949398    -12.94115066
  O     13.91102747     10.38666077    -12.62819556
  H     13.94279939      5.67634656    -15.34880790
  H     17.43033153      7.67122217     -9.83682189
  O     17.89885825      8.79548739    -17.07722739
  H     13.34021715      8.71603327     -9.34419339
  H     17.07780743      8.60420244     -8.67292054
  O     15.12141297      6.13335132     -8.63748478
  H     14.20429004      7.81706095     -8.44709983
  H     13.85609964      5.99020446    -12.98260745
  O     19.46441044      9.85796519    -15.15678540
  H     15.59046283      6.96951134    -11.61103947
  H     12.52519086      6.41700946    -13.64063502
  O     16.79428373      6.75228893    -15.45140593
  H     14.81510472      6.20413672    -10.51515786
  H     17.06545714     11.02739580    -13.21770510
  O     18.89201306      7.43712706    -13.70150786
  H     14.33906504      9.75571706    -13.22982730
  H     18.00155745     10.72474127    -14.43593411
  O     15.15404068     11.98152018    -15.93323605
  H     13.45895635     11.02566201    -13.19116053
  H     17.82602179      7.70609081    -12.31069011
  O     15.33570392      8.89048409    -14.43445535
  H     17.52330044      8.01024784    -16.65644741
  H     16.95342272      8.83356284    -11.66912413
  O     11.13976909      7.69229492    -13.21193130
  H     17.16414609      9.27435262    -17.47781012
  H     15.27831815      9.80225076     -8.62302855
  O     17.32712302      7.69469551     -8.87360075
  H     15.23447421      5.40523804     -8.03307506
  H     16.11506657     10.92428855     -7.96660781
  O     13.30551680      5.86578952    -13.76705770
  H     15.96613293      6.61982603     -8.65368031
  H     14.94421748      9.48701520    -17.72802729
  O     17.12768970     11.04840652    -14.18176044
  H     18.97216603      9.50472440    -15.92116563
  H     15.36926349     10.25882836    -19.00030329
  O     17.15426628      7.89008773    -11.63927172
  H     20.31444617     10.14230574    -15.48087749
  H     13.43694522      7.75087650    -11.21534511
  O     16.10533240     10.31129570     -8.69707247
  H     16.34056144      7.43651236    -14.93498078
  H     13.10016807      9.22135631    -11.57698026
  O     15.58021136     10.13613027    -18.07813664
  H     16.09151095      6.18887111    -15.79224735
  H     12.33498527     12.76411167    -14.74240479
  O     12.75599856      8.43522786    -11.12549679
  H     19.21376515      8.23765374    -14.13231691
  H     13.60450910     11.98078664    -15.15299781
  O     12.76555040     11.91768186    -14.66059105
  H     18.30434588      7.01053545    -14.33989114
  H     13.09920222      8.66943453    -16.44155553
  O     13.93143747      8.37889760    -16.84803344
  H     15.89529759     11.81849196    -15.33366876
  H     14.00418170      7.42184779    -16.75008681
          69
 Energy    -249.93123286169805     
  O     19.64536377     10.20885129    -12.09286395
  H     19.27493269     11.03256066    -11.74562506
  H     17.69912479     11.00783459    -14.97839749
  O     14.69268626     14.79513500    -12.33572956
  H     20.28170244     10.47084131    -12.76723817
  H     18.28708622     14.71431170    -15.00190846
  O     20.43321873     13.82289262    -12.92477944
  H     14.25963855     15.61961507    -12.12843000
  H     19.70952002     14.48587908    -14.43147803
  O     17.03550329     12.27903059    -19.32764518
  H     14.12827184     14.33909406    -12.98786781
  H     14.17258222     10.21590986    -14.35565500
  O     20.20748528     12.22550275    -16.29986452
  H     19.72205164     13.51952584    -12.34447129
  H     14.40966322     10.58889835    -12.84599552
  O     15.19216435     10.25653572    -11.28992139
  H     20.92164746     13.02841919    -13.17050124
  H     17.57172124     12.80282559    -10.95738156
  O     16.80410290      8.27381062    -14.67320557
  H     16.53645953     11.74943777    -18.69238921
  H     17.82898526     12.30710967    -12.37984898
  O     21.47258927     11.34177529    -14.00508076
  H     16.66634740     13.16921883    -19.27371278
  H     15.26824694     14.19783716    -17.35633516
  O     19.71266613     12.62699080    -19.01906845
  H     20.16107729     12.29342614    -17.26153880
  H     15.18625841     12.77359824    -16.74782130
  O     13.33697292     13.49816910    -14.26016720
  H     19.84124981     13.04968921    -15.94422695
  H     17.67272633      7.88152114    -11.36244176
  O     15.73483486     13.00932977    -10.40910555
  H     15.46016888     11.11095099    -10.93326645
  H     18.27572370      9.14946805    -12.00504352
  O     18.07928925     10.51933392    -15.72654639
  H     15.99578514      9.74114130    -11.43827183
  H     15.97527296     15.68670817    -19.33946076
  O     19.21459485     14.61009290    -15.25487406
  H     16.99307388      8.32291093    -13.72839977
  H     17.11427145     15.11901894    -18.45875912
  O     14.19932069     10.94350011    -13.72363886
  H     17.39337158      8.91450759    -15.09566650
  H     15.98691656     14.86410142    -13.77071760
  O     18.28285798     12.58003849    -11.56604436
  H     21.09844003     11.59159212    -14.86553362
  H     15.95595906     14.41869425    -15.26735806
  O     14.95952164     13.70077792    -16.58802106
  H     22.38680744     11.11725034    -14.16190729
  H     13.89317338      8.21063857    -15.96528115
  O     17.46013587      8.62432172    -11.92244386
  H     20.15898673     12.43509624    -19.83930573
  H     15.25318170      8.62345065    -15.34769488
  O     16.19904708     14.96657010    -18.75636041
  H     18.77003052     12.42522398    -19.15912592
  H     16.74120675     12.91045045    -14.10661299
  O     16.54042647     14.66730281    -14.53478714
  H     13.70238772     13.63794858    -15.14249992
  H     15.91978030     11.62706173    -13.77594960
  O     14.41789016      8.96628112    -15.71677989
  H     13.49971721     12.56435334    -14.05625975
  H     19.01000547     15.11806304    -17.03844221
  O     16.81352395     11.99138548    -13.81799959
  H     15.36918953     13.61656109    -11.07091155
  H     19.23089291     14.40439014    -18.38743338
  O     18.79080379     15.15943402    -17.97911068
  H     15.35227558     13.26003858     -9.57105859
  H     16.60725169     10.88454201    -16.71538735
  O     15.74934935     11.05445185    -17.13293176
  H     18.86730540     11.00562758    -15.99155619
  H     15.16374447     10.35908979    -16.81355784
          69
 Energy    -249.93036993790213     
  O     -0.51061647      0.32840149      1.95337772
  H      0.24956655      0.91854921      2.01448801
  H     -6.79332984      3.27344109      2.69091072
  O     -4.64747527     -1.51361036     -1.20907184
  H     -0.81654016      0.40150728      1.03632137
  H     -0.54758278      3.54139865     -0.66988601
  O     -2.04339156     -2.16235733     -1.04495341
  H     -4.99884775     -1.56875154     -0.30853632
  H     -0.22271774      2.05272555     -0.88761661
  O     -4.57761952      1.17483210      1.67000855
  H     -5.06844868     -0.74414824     -1.60748043
  H     -3.55512225      3.00646546      4.15387663
  O     -6.81185522      3.31234847      4.56553961
  H     -2.99088319     -1.95833579     -1.15191895
  H     -4.07548645      4.25089161      3.40155396
  O     -8.08605323     -0.62882810      2.13731809
  H     -1.83549410     -2.84984671     -1.67145921
  H     -2.77190537      3.48168155     -0.29716134
  O     -2.56334511      1.47261302      3.46713745
  H     -4.92470759      0.27571224      1.60442380
  H     -1.88282523      4.05505562      0.87204124
  O     -5.91236232      0.91682508     -2.05841857
  H     -5.31985969      1.78292428      1.77658023
  H     -3.71500882      4.89593599      1.03027965
  O     -5.52986002     -1.44513699      1.41588309
  H     -5.85099039      3.47422246      4.55096011
  H     -4.49241988      6.06809125      1.65531550
  O     -3.90976074     -2.72163688      3.30451933
  H     -7.17470140      3.86387807      5.25292041
  H     -3.65101898      0.24192658      4.54455496
  O     -3.63117243      1.93897104     -0.77077852
  H     -7.72378863     -0.21189272      2.94220280
  H     -4.16775742     -1.19934475      4.40471678
  O     -6.53096889      3.21680358      1.76290566
  H     -8.90549548     -1.04609187      2.38700044
  H     -0.20777251      3.39014315      2.30962019
  O      0.18368532      2.91710642     -0.73012645
  H     -3.29800356      1.37565597      2.83770550
  H     -1.58404083      3.01099229      2.88170080
  O     -4.16214869      3.75183484      4.22302983
  H     -1.81336551      1.00800007      3.07121059
  H      1.03850599      2.65199658      0.79125547
  O     -2.33859535      4.27845954      0.04224564
  H     -6.38894513      1.09191279     -2.86529230
  H      2.26678125      2.69094797      1.73239235
  O     -4.43512368      5.11532552      1.64265753
  H     -6.54730052      1.03440101     -1.32897471
  H     -6.96495681      1.43487541      4.47555557
  O     -4.35240405     -0.35320513      4.83133500
  H     -5.07806630     -1.95461039      2.10068131
  H     -6.05794842      0.18240097      4.52738273
  O     -1.10819804      3.71683243      2.42911638
  H     -6.45146066     -1.31889395      1.67635842
  H     -1.81594330     -2.28042997      0.84120033
  O      1.34356036      2.45763041      1.69618266
  H     -3.09580081     -2.56869207      2.79055758
  H     -1.20190273     -1.42327107      1.96883945
  O     -6.94153143      0.49202816      4.27982572
  H     -3.84521196     -3.60036518      3.66831443
  H     -1.43429445     -0.41417682     -0.95012035
  O     -1.73345518     -2.21144497      1.80031359
  H     -4.34939635      1.69853971     -1.36698859
  H     -2.11871846      0.97262421     -0.82242504
  O     -1.27194085      0.51141064     -0.73205149
  H     -3.92164881      1.65988027      0.11153512
  H     -7.85755279      0.61167879      0.68150728
  O     -7.59857560      1.28565274      0.04241141
  H     -5.87808172      3.91467516      1.61943651
  H     -7.34515491      2.05824254      0.56610852
          69
 Energy    -249.93001761027870     
  O     16.33551540     10.05676514    -16.84857402
  H     16.49047106      9.74889046    -15.93954688
  H     16.39535903     11.99307685    -10.09737627
  O     14.47562488     13.21101865    -14.17220662
  H     16.07336437      9.29204508    -17.35481183
  H     19.63562207     16.31503425    -13.91922036
  O     19.45059001     10.32126359    -11.17837708
  H     15.38520824     12.87302790    -14.18800893
  H     20.80964250     16.29277823    -14.91383431
  O     20.50461947     12.65425883    -12.30882175
  H     14.06754823     12.81084680    -13.39542369
  H     21.32025744     12.01194977    -15.06815643
  O     13.78598817     11.96466620    -11.76120132
  H     19.88769665     11.15435531    -11.39876178
  H     19.88268971     11.55477456    -15.44787023
  O     17.13589916     10.28323635     -9.79548160
  H     19.55020407      9.76469049    -11.95918451
  H     15.99901311      9.75008796    -11.20192716
  O     16.95070764      9.37923376    -14.23792490
  H     20.50888607     12.24564709    -13.18542112
  H     14.80428056     10.31657770    -11.98963360
  O     14.76013622     12.52527500    -16.93007298
  H     21.17634610     13.34763000    -12.32290597
  H     15.48499317     14.18697500    -17.27609573
  O     18.51674462     14.66425726    -16.75293730
  H     13.02989145     11.98399976    -11.18069886
  H     15.52662910     15.48644385    -16.45144377
  O     22.29576633     14.75327897    -12.71095586
  H     14.53623014     12.33330711    -11.25841785
  H     20.14430592     15.30035031    -16.78263482
  O     18.37875261     11.94221547    -16.36291197
  H     17.99346689     10.29421967    -10.25721419
  H     21.29259108     16.07664084    -17.46728213
  O     15.98244294     12.80163381    -10.42697901
  H     17.28429623      9.86379822     -8.95239265
  H     18.11688106     15.26651679    -15.01852343
  O     20.59222043     16.42848583    -13.98219050
  H     16.40256975      9.30799689    -13.44011687
  H     16.93173972     15.86036640    -14.22972104
  O     20.61728641     11.38483512    -14.84169612
  H     17.86152181      9.15024162    -14.01790003
  H     21.98367743     14.14632473    -15.84221128
  O     15.45982477      9.60937617    -11.99095067
  H     14.46710232     12.67247355    -16.02163713
  H     22.50937484     13.86398322    -14.42660796
  O     15.88192041     15.07060256    -17.24439596
  H     15.23224640     11.68558734    -16.92510536
  H     20.11590595      9.83037325    -14.14290432
  O     21.06076776     15.60815005    -16.66971260
  H     17.62324214     14.89776579    -17.04831384
  H     20.30505544      8.31441430    -13.91119533
  O     17.87088854     15.64673643    -14.16387599
  H     18.55072468     13.69856342    -16.73029118
  H     17.37067670     12.62450871    -13.25049151
  O     22.35318093     13.45037955    -15.28431239
  H     22.94134217     15.24074913    -12.20720248
  H     16.99144545     11.22939013    -13.88771294
  O     19.72405412      9.04678484    -13.72015052
  H     21.68420763     15.40748641    -13.09557517
  H     14.37447606     16.44267576    -14.28679716
  O     17.00990206     12.18382303    -14.02985734
  H     17.82488402     11.29176128    -16.80751750
  H     14.78966754     14.95690376    -14.38836289
  O     15.08356098     15.86730983    -14.56188926
  H     17.89903074     12.15336769    -15.54374316
  H     17.97876433     14.53511139    -12.71535865
  O     18.01284424     13.83333681    -12.05017436
  H     16.67466891     13.27599990    -10.90690893
  H     18.91503060     13.48541216    -12.04511967
          69
 Energy    -249.92939000162022     
  O     14.52359834      7.35627753     -9.69664571
  H     14.40439041      6.48933096    -10.10237420
  H     13.10576521      8.33159369    -15.95470777
  O     15.80241833      5.59666449    -15.48234159
  H     14.06338497      7.98642439    -10.26811845
  H     17.97057043      7.94943190    -17.20647209
  O     17.75068868     10.47121947    -10.66815749
  H     16.35802188      6.27445677    -15.88105549
  H     17.61302804      8.43142032    -15.78242653
  O     17.84077648      9.43641437    -14.30402997
  H     16.07825076      5.53235981    -14.55654845
  H     17.19096333     11.24804240    -14.34573896
  O     10.56578548     10.98702233    -13.26416423
  H     17.39747552      9.78041297    -10.09176036
  H     16.53976201     12.21048729    -13.33408307
  O     16.37229952      5.73188203    -12.75633920
  H     17.01738298     11.04465974    -10.91588533
  H     15.79836338      7.42038640    -13.07169203
  O     11.32872246      8.22332317    -13.25277351
  H     17.05114522      9.11547999    -13.84049854
  H     14.85647119      8.57689345    -12.62028947
  O     15.72813589     12.30246721    -11.54364321
  H     18.56906568      9.38071992    -13.67286213
  H     13.51579524      5.14084391    -11.76878197
  O     14.21158318     11.50482424    -15.26071588
  H     10.81561393     10.97126661    -14.20677308
  H     13.99538951      4.06900906    -10.76105911
  O     13.10401394      5.30401277    -15.70275343
  H      9.72101108     11.42543467    -13.20955139
  H     11.86555769      6.42003219    -12.95951043
  O     14.77732611      8.86950689    -15.83230933
  H     15.70870006      5.36727260    -12.15790978
  H     12.59748544      5.43169300    -13.89167741
  O     12.20137938      7.98438238    -15.90210987
  H     17.12651270      6.03101465    -12.22535475
  H     20.50035228      9.60564416    -11.96572687
  O     17.30934185      7.87905131    -16.52303146
  H     11.60699784      8.15768108    -14.17864146
  H     18.99756246      9.77363630    -11.62947020
  O     16.71416430     12.08488004    -14.27388965
  H     10.90667055      9.08528815    -13.15874084
  H     17.91680423      7.27087842    -10.46550873
  O     15.53874974      8.33306316    -13.25589228
  H     14.82709714     12.11585338    -11.85028460
  H     18.88332797      7.57716401    -11.61771410
  O     14.21757416      4.91969202    -11.12985685
  H     15.69502836     13.16019038    -11.12428504
  H     11.61796439      9.85268709    -16.02175762
  O     12.36211091      5.59315302    -12.96919579
  H     15.07417832     11.88168243    -15.03360496
  H     12.39520775     11.16778926    -15.76804209
  O     19.63134329      9.28235672    -12.18581705
  H     14.40450159     10.59938312    -15.54407287
  H     17.14420637      8.12869220     -8.17954263
  O     18.34037134      6.87655299    -11.23879447
  H     14.07025568      5.41842754    -15.65842328
  H     16.08772046      7.92226421     -9.28892947
  O     11.50800599     10.78430501    -15.79397467
  H     12.94779735      4.51978246    -16.22246949
  H     12.30746677     11.55343764    -12.70495544
  O     16.99136572      8.24043836     -9.11395366
  H     14.95654386      8.63111622    -14.90832118
  H     13.59684874     11.58733864    -13.55599042
  O     13.26720682     11.63072908    -12.64489304
  H     15.55220737      8.58229149    -16.32656541
  H     13.42183179      9.97658512    -11.83821834
  O     13.42134258      9.03778957    -11.61488081
  H     12.31348584      7.02792328    -15.95933072
  H     12.69923688      8.64647942    -12.12594111
          69
 Energy    -249.92909794941750     
  O     20.24781491      6.90714109    -12.29623682
  H     19.59475831      6.37162833    -12.78345499
  H     17.30607601     12.68847275    -16.01970551
  O     18.33401272     10.92159491    -12.13647893
  H     20.89374546      6.30033366    -11.94398413
  H     13.54158842      9.00111485    -14.78430258
  O     12.32047156      9.50609426    -12.01074916
  H     18.31235510     11.72104006    -11.59880543
  H     12.44616891      9.49549621    -13.82502143
  O     16.17419191      6.95069281    -12.38219681
  H     17.43967020     10.82565393    -12.50567072
  H     15.47289611      9.89906334    -13.42876654
  O     14.02809418      7.59672723    -10.64732777
  H     12.89819709      8.89078092    -11.54353539
  H     15.27405543     11.43726855    -13.26385675
  O     18.30488880      5.64713809    -13.70884026
  H     12.49769316     10.38316298    -11.65378597
  H     12.61449999     12.05205926    -16.57447958
  O     14.23861242     12.94846500    -13.56826604
  H     16.86118393      7.46164558    -11.92979504
  H     13.02014363     10.97309299    -15.53948710
  O     17.37126286      9.20243151    -16.09867702
  H     15.38048888      7.02311131    -11.83780441
  H     15.85068299      9.87662331     -9.48705585
  O     18.20142987      8.38258964    -11.05076738
  H     13.56765306      6.99608644    -10.06594061
  H     16.83522575      8.71737124     -9.77027681
  O     16.05972339     11.66658122    -16.63473663
  H     14.68868615      8.06171901    -10.10368559
  H     20.31079324      9.21120477    -14.76366957
  O     18.87460288      6.84279043    -16.26966144
  H     18.33927092      5.96553954    -14.61893758
  H     20.60375613      7.95758620    -13.89416451
  O     18.05562190     13.17550140    -15.63013084
  H     17.46585143      5.94444857    -13.33256887
  H     15.86567473     13.80326287    -13.36980726
  O     12.71590525      9.50430920    -14.75433464
  H     13.80986301     12.65970850    -14.38521013
  H     17.26908995     13.79805375    -14.01690123
  O     15.73736419     10.66763914    -12.91021975
  H     13.63980311     12.77674119    -12.83082959
  H     18.10224813     14.01404250    -10.33781185
  O     13.28187603     11.82704832    -15.93257021
  H     18.01684474      9.72791397    -15.60530456
  H     17.35299419     13.63997450    -11.64222448
  O     15.99766371      8.93365176     -9.33934429
  H     17.80844378      8.36901781    -16.31341268
  H     12.38683218     12.65816847    -10.49773625
  O     20.62762657      8.29872559    -14.79641740
  H     18.97089424      7.87879192    -11.34333592
  H     13.79158289     12.04217724    -10.69475711
  O     16.78961975     14.04451880    -13.21695585
  H     18.32103742      9.28195558    -11.38751311
  H     19.00765317     11.63577448    -15.08018682
  O     17.64826666     13.30035230    -10.77626554
  H     15.11328125     11.66640619    -16.45296336
  H     19.05522203     10.82229021    -13.77234469
  O     12.94151048     12.21267733    -11.13358996
  H     16.36536020     10.75135154    -16.59423876
  H     15.53420227     11.11055027    -11.16987525
  O     19.26577027     10.78001314    -14.71653991
  H     19.29083204      6.37418821    -16.98824829
  H     16.18789216     12.20199213    -10.29453874
  O     15.47849572     11.54725694    -10.30395672
  H     19.57924345      7.32879443    -15.80228118
  H     15.98703009      8.64405543    -15.10466904
  O     15.25108932      8.43834125    -14.51255535
  H     18.36140072     13.78498251    -16.29706437
  H     15.57149193      7.82070799    -13.84183613
          69
 Energy    -249.92874488012620     
  O     -0.98072745      7.34614189     20.43845784
  H     -0.12513074      6.88070654     20.42811137
  H      0.85370414      9.66598463     21.78679281
  O      4.74815224      9.54569901     19.77045691
  H     -1.62240719      6.73769925     20.79496490
  H      2.12365996     12.20539339     18.74868246
  O      0.88860384      6.89181679     16.02415142
  H      3.82912276      9.30414460     19.57821225
  H      1.18740319     12.63323711     19.90273317
  O      3.97254583     11.52966763     21.45523269
  H      5.08802348     10.03814938     19.01323768
  H      5.73359710      9.55692038     16.86463891
  O      4.13110961     14.38074539     18.82446240
  H      0.42241314      6.53362187     15.27424643
  H      4.42006981      8.86051388     16.45494179
  O      3.51985687      6.81881292     22.23094995
  H      0.21927097      7.31398696     16.59515462
  H      0.25182733     11.25716063     17.33060571
  O     -0.85713304      8.14431432     17.64877908
  H      4.30719031     10.77175345     20.94791766
  H     -0.72390344     11.42827347     18.50377392
  O      4.35984736     13.22482746     16.38470231
  H      3.27032091     11.91977558     20.91345400
  H      2.78196553     12.24231443     16.62215098
  O      2.35590451      9.44980185     22.70329153
  H      3.35167099     13.92694138     19.17520249
  H      2.27834609     10.77929009     16.72743818
  O      2.12824264      8.87800877     19.29664283
  H      4.87646963     14.04469792     19.33737093
  H      6.09469327     11.80187688     18.60609128
  O      1.51949615      6.31569526     20.32810175
  H      3.81362011      6.31286724     22.98416164
  H      5.35826463     11.86997717     17.25675622
  O      0.14500360      9.82093884     21.14288022
  H      4.25068667      6.81105400     21.58662014
  H      2.05816030      8.33530951     16.18175281
  O      2.11408803     12.58840176     19.63764799
  H     -0.99656654      7.88119840     18.56379822
  H      2.41518798      8.95968203     17.54122880
  O      5.37555175      8.72437887     16.53999784
  H     -0.80681783      9.11208337     17.64253475
  H     -0.38727116     11.38280200     20.64692400
  O     -0.56730360     10.91080524     17.70607403
  H      4.60684033     13.82160343     15.68371591
  H     -1.27939633     12.64119076     20.79726717
  O      2.07374990     11.69228702     16.97653180
  H      4.28504647     13.75512058     17.19889662
  H      5.35050944      7.89295361     20.17655363
  O      5.83943934     11.27040172     17.84139669
  H      2.96792233     10.15823388     22.47080233
  H      5.44112845      6.54341334     19.45591845
  O      2.60102779      9.01945516     16.59061980
  H      2.81969424      8.61471488     22.56897427
  H      6.82130605     13.06934293     20.83539731
  O     -0.59378091     12.25401158     20.26050323
  H      1.46808261      9.39936381     19.76631699
  H      5.40740894     12.45143861     20.79357259
  O      5.42897603      6.94008097     20.33418762
  H      1.98018874      7.96211493     19.56474189
  H      5.39559618      7.09895035     17.20451427
  O      6.09663313     12.86626399     20.24907872
  H      2.19045287      6.36759681     21.01969782
  H      5.92641568      5.65344073     17.09411927
  O      5.31355923      6.20321522     17.57583057
  H      1.90638332      5.91277460     19.53373953
  H      3.48208661      5.76917917     17.76337786
  O      2.55576180      5.57681293     17.95339307
  H     -0.33078544      8.99366730     20.99984130
  H      2.03215214      5.95264138     17.23498260
          69
 Energy    -249.92855316802053     
  O     16.67372047     10.14963573    -15.47160743
  H     17.43356136      9.55729236    -15.37229917
  H     17.77814205      3.56653476    -14.51056712
  O     17.12209600     12.83107597    -15.29969729
  H     15.89362404      9.60836535    -15.65664690
  H     15.82272360      8.32360887    -12.22609301
  O     14.46094606      8.51821746    -15.77555477
  H     17.07620414     13.25370696    -16.15346589
  H     15.63377589      7.66370403    -10.85517025
  O     18.77423578      8.46014502    -14.94061732
  H     16.93279437     11.88782655    -15.44268404
  H     17.97798562      5.68084938    -16.04026392
  O     20.66184411     10.09209875    -13.67953920
  H     14.70040688      7.91444751    -16.49028971
  H     18.36023638      7.15950340    -16.22339055
  O     18.17211611      6.68596596    -12.88420366
  H     14.27127148      7.96245794    -15.00627163
  H     18.17410435     13.50151706    -10.29905350
  O     11.78526216      8.48366590    -12.42994717
  H     19.50144589      9.00670745    -14.61797506
  H     17.78148532     12.08204259    -10.76989039
  O     15.73507035     13.52909432    -12.89634876
  H     18.54016609      7.86084726    -14.21611045
  H     16.35675715      6.54450954    -17.30994743
  O     12.64288778     10.33067504    -14.51829445
  H     20.18959355     10.94076664    -13.60532985
  H     15.35266517      6.36685051    -18.47458534
  O     13.77692193     11.70224769    -12.43528079
  H     21.58162676     10.29992304    -13.81962779
  H     16.27470793     10.09564361    -13.68915120
  O     12.95224508     10.09312527    -10.43239944
  H     18.05209905      5.86486388    -13.37662445
  H     15.20293069     10.58204002    -12.67372025
  O     17.59040950      4.49935335    -14.57039649
  H     17.33083961      6.86906580    -12.44088731
  H     18.60886956     12.61303619    -14.15006180
  O     15.76320377      7.45808835    -11.79016438
  H     12.17532270      8.96525278    -11.68406569
  H     18.87691211     12.65180839    -12.63270987
  O     17.97798128      6.40087842    -16.68356311
  H     10.89194964      8.26333178    -12.17517066
  H     16.99497046     10.26250604    -11.34690829
  O     17.88429929     13.00475049    -11.05980693
  H     16.16265783     13.38077103    -13.74890663
  H     18.30496063      9.77733619    -10.69331036
  O     15.41153151      6.57120848    -17.54548234
  H     16.42943319     13.43727897    -12.23204115
  H     14.49429096      6.95007550    -12.91987368
  O     15.96288216      9.99701235    -12.78274444
  H     13.21111331      9.80662194    -15.09677031
  H     13.02199995      7.29664284    -13.22278563
  O     19.26542663     12.39492357    -13.47769497
  H     12.21923383      9.69733404    -13.92613756
  H     19.20895579      7.90394162    -11.79886657
  O     17.53589620     10.34813347    -10.54689934
  H     13.36079742     11.40198528    -13.25762301
  H     20.03613666      9.16304004    -12.10869497
  O     13.80102508      6.86613825    -13.59230348
  H     14.36320641     12.45177971    -12.61568104
  H     16.12589219      9.37656721     -9.59751321
  O     19.57497853      8.70204337    -11.39740492
  H     13.24700524     10.75245657    -11.08641713
  H     14.58681834      9.25406929     -9.69496114
  O     15.38188610      8.78844333     -9.41018999
  H     12.50596057     10.57623969     -9.74062912
  H     15.00616651      5.37323196    -16.07480323
  O     14.98538319      4.91273825    -15.22714036
  H     16.63677726      4.58315300    -14.75039243
  H     14.46947218      5.47408961    -14.63292672
          69
 Energy    -249.92805278235622     
  O     16.94330355     11.15053481    -17.90771301
  H     16.80417392     10.47959545    -18.57040938
  H     15.70558348     12.65281195    -17.70751511
  O     17.68986088     17.78068842    -14.36552581
  H     17.58407329     11.78399747    -18.27932005
  H     18.07850680     13.89686199    -18.90132668
  O     21.16134710     12.22755830    -14.73387517
  H     17.56791618     18.08953124    -13.45644974
  H     19.32297270     13.26569485    -18.24961042
  O     16.44205834     15.32391319    -11.63364374
  H     17.06834736     17.04277288    -14.45981553
  H     14.89222557     12.32003018    -10.56004971
  O     13.84786126     14.19633759    -15.40634994
  H     20.57207767     11.53597786    -14.41157039
  H     15.21122650     12.47877485    -12.06729492
  O     18.27769010     12.01729708    -11.42815774
  H     20.99655421     12.97769719    -14.14426758
  H     20.28855629     16.06972050    -13.67454302
  O     14.79306375     12.13559888    -13.68876582
  H     16.30077661     15.40290141    -12.58800156
  H     19.42366794     17.31910513    -14.03446837
  O     20.35775466     13.78377678    -16.86062105
  H     16.03164451     14.49015340    -11.37182267
  H     18.11870688     14.94658537    -11.06151798
  O     21.15760003     16.49324559    -16.41821747
  H     12.95952830     14.44398029    -15.64654419
  H     19.48896502     15.55025346    -10.67789437
  O     17.43200002     18.02933072    -11.61328267
  H     14.29717815     13.92121982    -16.22681784
  H     17.77859326     10.87201420    -14.68208436
  O     20.05339912     14.37270026    -13.34698730
  H     18.67938812     12.81389834    -11.06268721
  H     17.05701894     11.08057526    -16.07301858
  O     15.22934699     13.48259242    -17.59785378
  H     17.32637230     12.14535119    -11.32314850
  H     19.34789181     16.92547735    -16.94462233
  O     18.58075577     13.07481506    -18.84097843
  H     15.52306253     11.76173366    -14.20145637
  H     18.11712749     17.47239307    -16.19486310
  O     15.51997903     12.69889502    -11.16904481
  H     14.38270974     12.80523393    -14.24832863
  H     20.89426932     17.84311931    -10.65479412
  O     20.32576705     17.02810697    -13.83231260
  H     20.75054691     13.18276921    -16.20913089
  H     20.35435972     17.31647233    -12.00125047
  O     19.02552262     14.71445396    -10.80599100
  H     20.74045152     14.65916359    -16.73337770
  H     19.42495807      9.65040848    -13.15839302
  O     17.02744306     11.28413720    -15.12873723
  H     21.93739134     16.96625297    -16.69897389
  H     18.88790553     11.04178308    -12.75902970
  O     18.40151718     17.08535064    -17.03225266
  H     20.99102364     16.75083932    -15.49712379
  H     18.75004169     13.86400095    -15.90120506
  O     20.19365197     17.32545038    -11.04420496
  H     16.97559622     17.18867186    -11.47589246
  H     17.68734763     12.96962053    -15.18684598
  O     19.17500347     10.49902493    -13.51549349
  H     18.32116653     17.90065239    -11.26370933
  H     16.72417526     15.97667885    -19.40673664
  O     18.07142338     13.85595553    -15.21463069
  H     19.30252201     14.14822821    -13.91677255
  H     17.46690021     16.02050546    -18.05662752
  O     16.98917743     15.43403493    -18.66794058
  H     19.72926459     14.39129642    -12.43770406
  H     15.25895190     15.19749732    -14.71860025
  O     16.10080601     15.53995380    -14.39888407
  H     15.80760572     14.17604201    -17.94218240
  H     16.79368091     14.95487982    -14.74424610
          69
 Ord_Energy   -249.928040    
 O   0.706536949       3.03080392      0.169340819    
 H   0.439428568       2.50270772     -0.591551840    
 H  -0.124111772       3.25275588      0.619066179    
 O   0.786431074       7.39781380       2.26967859    
 H    1.54654014       7.97228909       2.30346107    
 H   0.926070809       6.79463673       1.51711023    
 O  -0.780303717       1.58269143      -1.75040889    
 H   -1.36954963       2.35664129      -1.83217895    
 H  -0.657499671       1.23577297      -2.62932229    
 O  -0.935521841       6.23323298       4.13000917    
 H   -1.78473604       6.43686342       3.71019268    
 H  -0.257552266       6.66327810       3.59348893    
 O   -2.09455419      0.667611778      0.572024882    
 H   -1.58359694      0.828923821     -0.232140586    
 H   -1.54399657      0.184881017       1.20147169    
 O   -2.85652804      0.344976068       4.26597929    
 H   -2.64365530       1.10377765       4.82441568    
 H   -2.05456328      0.103352129       3.78937459    
 O   -4.79464912       3.51166415       3.89299011    
 H   -4.58166552       3.89968371       3.03292012    
 H   -5.13844728       2.62727189       3.71823812    
 O   -1.74895620       7.94162178      0.969500303    
 H  -0.893694520       7.92523146       1.41436255    
 H   -2.40291953       7.73228312       1.65014219    
 O   -4.02219200       4.68237925       1.46052885    
 H   -4.49275303       4.40879440      0.666024446    
 H   -3.16022897       4.23624229       1.43757117    
 O   -5.06704330       3.46708179     -0.840097487    
 H   -5.03672838       2.61294651     -0.370146215    
 H   -5.89293861       3.49293017      -1.31484914    
 O   -3.38387060       6.87952900       2.96482205    
 H   -3.65665030       6.17152548       2.36158204    
 H   -3.91380692       6.77125120       3.76620173    
 O  -0.564592123     -0.379952848       2.67403913    
 H  -0.120611988      -1.20804894       2.83642387    
 H   0.121350199      0.311363757       2.67414069    
 O  -0.384866804       3.49925041       3.98394918    
 H  -0.445750386       4.46351957       4.00285149    
 H   -1.08855712       3.17602253       4.56334591    
 O   -1.70728433       3.27307606       1.55297768    
 H   -1.91365325       2.35942745       1.31311309    
 H   -1.28171933       3.27649283       2.42068744    
 O   -2.09638691       5.47916031       6.54631853    
 H   -1.70621634       5.89459229       7.31139517    
 H   -1.61046004       5.80921459       5.77253485    
 O    1.20269394       1.66314054       2.60802913    
 H   0.814525366       2.32189846       3.20140338    
 H    1.23455703       2.08172083       1.73812151    
 O   0.982048810       5.80553818       9.25439373E-02
 H    1.08365881       4.84532070       9.34790000E-02
 H   0.202507600       5.98160791     -0.448944807    
 O   -4.82768440       1.17164135      0.547115088    
 H   -5.10724592       1.03106987       1.45906031    
 H   -3.90269494      0.890123963      0.509206414    
 O   -4.65522575       6.01689291       5.26762581    
 H   -3.90272045       5.87022066       5.85239506    
 H   -4.87506866       5.15019464       4.89965439    
 O   -5.35392380      0.805204809       3.31836534    
 H   -4.46576977      0.561625719       3.63707185    
 H   -5.96773863      0.202131033       3.72922993    
 O   -2.60560918       2.88656783       5.50848150    
 H   -2.44878125       3.66330743       6.05912971    
 H   -3.36331725       3.10863495       4.94536972    
 O   -2.40842128       3.73245835      -1.84291303    
 H   -3.32986641       3.66158891      -1.56618571    
 H   -2.11325097       4.61803389      -1.59676754    
 O   -1.49480653       6.36654663      -1.23825598    
 H   -1.51527596       6.95407152      -1.99071872    
 H   -1.68271375       6.91903162     -0.459524810    
          69
 Energy    -249.92801135087740     
  O     18.81378131      9.47265249    -11.13506878
  H     19.36074422      8.73900693    -11.43934326
  H     17.79806773      5.32428813    -13.18502056
  O     13.30003111      7.65681477     -9.37976789
  H     18.24264993      9.10301988    -10.44416361
  H     16.04092504      7.55251257    -10.33572670
  O     19.22188291     11.29750396     -9.03872957
  H     12.58084003      7.02997177     -9.42326659
  H     15.31706664      7.43592380    -11.71159250
  O     16.91210250     10.48248846    -12.81761202
  H     14.03073103      7.27613140     -9.89470737
  H     19.34767707      7.98542128    -14.74779664
  O     20.07944458      7.09675128    -11.78152936
  H     19.69313674     10.72476996     -8.41961455
  H     20.65374273      7.33934090    -15.26762568
  O     20.48137270      7.12489588     -8.97804175
  H     19.24002452     10.82186096     -9.88033488
  H     19.00231737      9.02786800     -6.24199410
  O     17.83512898      5.46129004    -11.29715347
  H     17.63100916     10.15537334    -12.25403962
  H     17.54061307      9.31967764     -5.78766640
  O     13.47709906      9.90011968    -11.16979082
  H     16.41527821     11.11324680    -12.28495547
  H     17.24823154      8.48476153    -15.25485387
  O     16.54013737     11.21910151     -8.59839486
  H     19.30549503      6.53184630    -11.63889826
  H     17.66718925      9.68977112    -14.38663700
  O     15.24004574     11.94215377    -10.99008647
  H     20.21017372      7.14760818    -12.73637865
  H     16.76527620      9.42163301     -8.96595650
  O     15.85898404     10.25931027     -6.14473409
  H     19.93081871      6.35842680     -8.78128873
  H     17.12496803      7.97266663     -8.49142754
  O     17.79645350      5.49789149    -14.13497261
  H     20.53634656      7.15905388     -9.94144472
  H     20.47812522      8.56022788     -7.96963988
  O     15.51128435      6.95839648    -10.89264464
  H     16.98006036      5.90049909    -11.18768863
  H     21.33706213      9.42606440     -7.02350312
  O     20.00317366      7.28667180    -14.57280873
  H     18.09654662      5.15911145    -10.41812758
  H     14.11875600      7.81794228     -7.64084026
  O     18.26740143      8.68951180     -5.71439364
  H     13.81439154      9.40619937    -11.93039632
  H     14.91266360      8.61460573     -6.57100167
  O     17.99321224      9.06073824    -15.04212257
  H     13.31171324      9.24499110    -10.48228357
  H     15.65764890      9.19207024    -13.04385921
  O     17.01392807      8.53805889     -9.26525706
  H     16.08955499     11.54624141     -9.38560829
  H     15.15288599      8.00632902    -13.91010961
  O     20.46323419      9.34894417     -7.39908497
  H     17.49224567     11.37604219     -8.70944361
  H     18.02194333      5.51881794     -8.05908833
  O     14.61886070      7.72956154     -6.82105432
  H     14.81060608     12.77070750    -11.18760207
  H     18.76663167      4.16549365     -8.13824014
  O     14.96660740      8.51599158    -13.11237728
  H     14.55128788     11.25327153    -11.02023624
  H     17.61215781      7.26434118     -6.53265550
  O     18.59709099      4.97003374     -8.62165975
  H     15.53209823     10.92940319     -5.54923658
  H     16.18340605      6.86291129     -6.99137699
  O     17.12361832      6.67997478     -7.13287121
  H     16.05061748     10.70390389     -6.98759218
  H     16.53819181      6.44208579    -14.88862401
  O     15.92200228      7.07483359    -15.29998955
  H     18.62060416      5.96383645    -14.32416471
  H     15.56128353      6.64734690    -16.07174680
          69
 Ord_Energy   -249.927948    
 O   -4.27491760      -5.02341318      -1.27961278    
 H   -3.87996769      -5.45674276      -2.03201437    
 H   -3.81203270      -4.17606926      -1.16698575    
 O   -2.95753074     -0.251216829       4.68888998    
 H   -2.55074167      -1.08489394       4.39696980    
 H   -2.82304764     -0.205576152       5.64347219    
 O   -8.15684986      -3.51228642       1.30981421    
 H   -7.67395687      -3.53367567      0.464368850    
 H   -9.08199596      -3.60899687       1.10074615    
 O   -2.01489782      -2.59716058       3.78366590    
 H   -1.26908600      -2.85424876       3.22844338    
 H   -2.24081206      -3.36034656       4.33448029    
 O   -5.19416809      0.368994713      0.719694495    
 H   -4.34892607      0.501327693       1.16349351    
 H   -5.73532772     -0.165142044       1.31893623    
 O   -4.40322781      -5.65711403       1.48749006    
 H   -4.34718800      -5.62288284      0.525869370    
 H   -3.51476383      -5.82839346       1.83810270    
 O   -5.30206680      -4.02835655       7.99683905    
 H   -5.42786884      -4.15899611       7.04083300    
 H   -5.76761532      -4.73663235       8.43351460    
 O   -2.50578642      -3.46805096       7.60577917    
 H   -3.40368938      -3.67844200       7.89448118    
 H   -2.46751475      -2.50643539       7.55803299    
 O   -6.69691229      -3.45943689     -0.977891207    
 H   -6.35923100      -2.59159708      -1.23256123    
 H   -5.98014927      -4.08400583      -1.13622081    
 O   -1.92791986      -5.76988792       2.64433551    
 H   -2.10811901      -5.59072924       3.57766914    
 H   -1.29544890      -5.10322332       2.35468483    
 O   -5.46369410     -0.941517353      -1.61643338    
 H   -5.39864206     -0.402765751     -0.806467116    
 H   -5.66772699     -0.343870074      -2.33014345    
 O   -2.67614603      0.678653002       2.09880948    
 H   -2.79370737      0.433963418       3.03107190    
 H   -2.31586957       1.56351340       2.09976315    
 O   -4.09999609      -2.91858029       1.91125596    
 H   -3.38326836      -2.78352857       2.54250574    
 H   -4.25948906      -3.87066507       1.84906256    
 O   -2.74315333      -4.81058931       5.21128750    
 H   -2.48896527      -4.45965195       6.07785416    
 H   -3.70293450      -4.69637251       5.15704632    
 O   -6.65405035      -5.21608019       3.07881832    
 H   -7.23149872      -4.69476366       2.50984287    
 H   -5.93152618      -5.52695370       2.51531053    
 O   -3.32964325      -2.49942040     -0.713421404    
 H   -3.60103178      -2.58328080      0.215800360    
 H   -3.97346234      -1.91711068      -1.13721085    
 O   -5.43072224      -1.19681334       7.71094894    
 H   -5.49814892      -2.12644839       7.96275139    
 H   -5.67091084      -1.16274631       6.77385044    
 O   -1.16800094      -1.34080040      0.626577318    
 H   -1.62415910     -0.653624356       1.12616825    
 H   -1.81654680      -1.68755805      -1.24655000E-03
 O   -5.45034456      -4.11816216       5.26144743    
 H   -5.94072151      -4.54516315       4.54380322    
 H   -5.47971153      -3.16403913       5.11005878    
 O   -2.80226731     -0.545309722       7.48288155    
 H   -2.49237537      -1.38281900E-02   8.21159649    
 H   -3.74841642     -0.714074135       7.64286661    
 O   -5.56816673      -1.32528675       4.91461420    
 H   -6.02177095      -1.29439759       4.06171560    
 H   -4.70766163     -0.904078007       4.79047775    
 O  -0.166723594      -3.50795579       1.92873216    
 H  -0.448446035      -2.74384189       1.39452875    
 H   0.784070849      -3.54954839       1.86699033    
 O   -6.44135666      -1.53235161       2.31776929    
 H   -7.15943861      -2.11016846       2.03516936    
 H   -5.62072897      -2.03264260       2.17435431    
          69
 Energy    -249.92760345154267     
  O     11.98966925      8.18672250    -15.04524569
  H     12.22142783      8.32009085    -14.10770356
  H     15.13408354      9.21113546    -17.02833364
  O     17.47403816      6.74410588    -12.55642157
  H     11.03976437      8.24814645    -15.10263736
  H     15.10647651      7.29993377    -14.59432014
  O     18.04884508     10.85817992    -14.17296375
  H     17.51273926      5.80274132    -12.75900191
  H     15.53306190      8.76866350    -14.23201482
  O     14.52461163      4.70405190    -13.00163184
  H     16.91025184      7.14705122    -13.23978678
  H     13.25978999      9.17020803    -12.08780436
  O     16.63950965     11.79232137    -10.30666144
  H     18.30910536     11.54269494    -13.54427162
  H     12.96737122      7.66773294    -11.94100065
  O     15.99267436      7.76603879    -10.49378788
  H     18.47296359     10.04104655    -13.87502274
  H     19.25985162      9.79594015    -10.46190359
  O     15.28450789     10.56856000    -14.07518246
  H     14.20649612      5.08990960    -13.82996135
  H     19.86155626      9.51708460    -11.86357826
  O     17.74417510      5.33100311    -15.97763496
  H     15.43214188      4.42505147    -13.16850728
  H     13.99777027      5.63576225    -11.64915811
  O     17.84246344      9.38481698     -9.24410621
  H     17.07906618     11.07436952     -9.83389351
  H     13.13191679      5.68933273    -10.36766232
  O     17.27274660      4.15210796    -13.58830163
  H     17.30683132     12.15606553    -10.90064457
  H     18.33116039     10.34002364    -15.98182737
  O     19.65523647      7.48584721    -16.03369915
  H     16.56474791      7.38717095    -11.17851568
  H     17.57617310      9.53459034    -17.06399987
  O     15.92392031      8.65277518    -17.09181998
  H     15.19345158      7.22513826    -10.48508082
  H     18.79629142      7.85854345    -12.99384012
  O     15.85878537      7.87347030    -14.40018203
  H     15.05472791     10.53795353    -13.13673159
  H     19.64640526      8.14802118    -14.24347164
  O     12.73164327      8.44979956    -12.45410380
  H     16.23014762     10.76447144    -14.13465989
  H     19.30768323     11.69798986    -11.66971654
  O     19.87421300     10.13847544    -11.12318115
  H     17.02273218      5.52960175    -16.58465642
  H     19.45242425     13.21875985    -11.92697721
  O     13.69338434      6.21744220    -10.92885424
  H     18.36616931      6.06805405    -16.02002120
  H     15.34954758      5.80842917    -18.55865116
  O     18.45891570      9.79939798    -16.77242458
  H     17.17750068      8.77647231     -9.60574149
  H     15.62985516      6.99867634    -17.60938660
  O     19.41125553      8.50084570    -13.37754934
  H     17.95043503      9.15387837     -8.32446583
  H     15.26112795     10.85603935    -11.00470340
  O     18.85253741     12.48418087    -12.02386057
  H     17.44390316      4.52856450    -14.47099748
  H     15.15479859      9.32432712    -11.12488696
  O     15.47062909      6.03893103    -17.64122387
  H     17.74753687      3.32685320    -13.54457912
  H     14.19791239     10.43571955    -15.57386316
  O     14.73240631     10.14830740    -11.40141748
  H     20.47262167      7.36318755    -16.51043465
  H     13.05317656      9.49722237    -15.98630756
  O     13.72594605     10.08744377    -16.34517586
  H     19.26304300      8.31398104    -16.36412091
  H     13.13389958      6.76739043    -15.35652956
  O     13.84627665      6.11616014    -15.29897643
  H     16.10007130      8.36167279    -16.18444304
  H     14.25655430      6.02221063    -16.16720083
          69
 Energy    -249.92736079256696     
  O     14.18285401      9.19549982    -16.85631544
  H     13.79755482      9.10978211    -15.96617902
  H     17.51118587      4.33853954    -14.96849675
  O     16.76721638      6.17847943    -12.58556664
  H     13.55763220      9.70341565    -17.36769605
  H     20.24628702      9.23674398    -12.71800537
  O     19.99652214     11.10172067    -12.28010215
  H     16.91067175      5.31037459    -12.97962679
  H     19.68671169      7.93628310    -12.11730667
  O     19.17124592     10.07060516    -16.87109289
  H     16.69375068      6.79228737    -13.33204261
  H     16.05529547      9.21118889    -17.58485679
  O     14.32284451      4.66101188    -14.79433781
  H     19.18440473     10.91372192    -11.77825022
  H     17.59390743      9.42847565    -17.65979745
  O     15.36017842     10.49564604     -9.50047982
  H     20.55184202     11.63339878    -11.71575818
  H     17.54682787      7.72082303    -15.07645586
  O     14.38107286      6.94792126    -11.42300214
  H     19.82342975     10.54998836    -17.37499504
  H     16.08105670      7.32349080    -15.44926735
  O     16.23370963     10.21951718    -13.60935998
  H     18.93885466     10.62912687    -16.10758656
  H     12.81596254      7.86469726    -14.15055770
  O     18.33505565      5.18548392    -16.25845196
  H     15.18585860      4.30249510    -14.56064469
  H     13.24153872      9.23448083    -13.60170088
  O     15.86473843      7.85206174     -9.19758712
  H     14.47822357      5.24474481    -15.55200371
  H     18.04208278      8.55451643    -10.93435570
  O     19.31980150      7.64857595    -15.41361548
  H     15.10116671     10.92688841     -8.69112715
  H     17.79436558      7.08293815    -11.39046685
  O     17.04067168      3.91753459    -14.22671121
  H     15.51233848      9.55680111     -9.28472224
  H     13.17336830      5.54457080    -13.87162496
  O     20.15187578      8.29143531    -12.88388165
  H     13.66460204      6.60713562    -11.97229228
  H     11.71851538      5.67267284    -13.36006283
  O     16.84906079      8.98107034    -18.08060002
  H     15.20204566      6.60983871    -11.81082169
  H     19.08504794     11.45615639    -13.92506067
  O     16.62185508      7.78221281    -14.79754960
  H     15.41138063     10.14542498    -13.10861708
  H     17.63033222     11.18184972    -14.36325221
  O     13.03558202      8.76545371    -14.41893132
  H     16.34152209      9.37974707    -14.08046022
  H     16.90697516     10.54166475    -10.55996648
  O     18.29073452      7.63439998    -10.76639459
  H     17.94301484      5.44853106    -17.09867154
  H     17.15163529     10.29985149    -12.07212536
  O     12.55800986      6.12359417    -13.38564599
  H     18.83531857      5.95766699    -15.95824906
  H     17.04716797      7.29098555    -18.45784578
  O     18.49116901     11.48401402    -14.68466661
  H     15.25669803      7.43035409     -9.82036497
  H     17.13695976      6.14785662    -19.49836286
  O     17.59427345     10.36204549    -11.21186622
  H     16.75236135      7.65149760     -9.51912201
  H     14.18215348      8.73502867    -11.75930623
  O     17.04775089      6.32217716    -18.56550348
  H     19.40850807      8.44322388    -15.95278843
  H     14.34180104     10.12498144    -11.11854229
  O     14.07554060      9.68322038    -11.93242712
  H     19.68257806      7.84090403    -14.53488369
  H     14.55502790      7.37845591    -16.91258201
  O     14.93382023      6.50512629    -16.74688824
  H     17.42403746      3.05139849    -14.11813076
  H     15.57936462      6.33258275    -17.44432993
          69
 Energy    -249.92688189287071     
  O     15.20936089     11.93265062     -9.60303155
  H     15.49863219     12.48780539     -8.88423635
  H     14.28680912      7.65071174    -13.98011819
  O     11.97175512      6.34682855    -12.24379550
  H     15.70861600     11.09900381     -9.53159126
  H     16.42347361      5.19949139    -15.26053653
  O     17.78306762      9.70414892    -14.57810488
  H     12.65549154      5.67081085    -12.30406785
  H     15.13958463      5.76683909    -14.63711641
  O     17.20083684      8.76238043    -12.03861140
  H     12.22862201      6.93520159    -11.51894598
  H     17.02552691      5.69334724    -13.21990259
  O     16.61570498     12.26150030    -14.48007467
  H     17.16397177      9.26005388    -15.17335811
  H     18.39053161      6.39949780    -13.19156749
  O     12.98871407      8.15720176    -10.38833695
  H     17.50171928     10.62761986    -14.54274402
  H     14.00629133      8.55111126    -11.83757385
  O     15.92925345      8.47259650    -16.35786070
  H     17.48473739      9.17824278    -12.86375412
  H     15.43439563      8.84657980    -12.39248001
  O     14.71095926     10.91454727    -16.15150201
  H     17.36870833      7.81570355    -12.13863170
  H     13.46948131     11.23931795     -9.85361442
  O     17.44618470      6.18443781    -16.61620955
  H     16.06770310     12.38702044    -13.68464260
  H     12.34727283     11.35603246    -10.89525078
  O     11.35075706      7.68809283    -14.51083252
  H     17.01181990     13.10726117    -14.67327967
  H     14.70073760      4.45598551    -13.20360794
  O     15.89897362      5.46914682    -10.52709736
  H     13.62229389      7.87184753     -9.71879872
  H     13.87572736      3.40536348    -12.43503920
  O     14.08963661      7.14197173    -14.78345134
  H     12.77049352      9.08717144    -10.22032221
  H     13.42227437      9.81130222    -13.62388956
  O     15.81120160      5.07287799    -14.52694551
  H     15.25754702      7.98068044    -15.86402844
  H     12.13134233      9.43793327    -14.37918302
  O     17.68102776      6.07105182    -12.61947211
  H     15.54899800      9.35423599    -16.48531091
  H     15.39363326      6.59577286     -9.32295159
  O     14.50430065      8.77143500    -12.63578325
  H     15.31730547     11.46406694    -15.63912897
  H     15.06219872      6.86519367     -7.83544332
  O     12.62453163     10.85409301    -10.12019170
  H     13.96179510     10.73162873    -15.57071525
  H     16.05722922      8.81126122     -9.13380603
  O     14.09884370      4.33405249    -12.45246545
  H     16.94815939      7.01914522    -16.64788623
  H     16.87266810      9.33410530    -10.33789758
  O     12.72465784     10.17500886    -14.19288872
  H     17.66314717      5.96340698    -17.51873267
  H     15.17773264     12.40754506    -11.41030184
  O     15.05891777      7.26645602     -8.70025954
  H     10.50998284      7.39909550    -14.85367771
  H     14.05877025     12.62388189    -12.44141649
  O     16.51079278      9.58960710     -9.47786574
  H     11.49178109      7.21082372    -13.67166491
  H     18.78391320      6.81478640    -15.34439869
  O     15.01744624     12.61945434    -12.33822573
  H     15.23019388      5.04866876    -11.07997354
  H     18.97115047      8.14277305    -14.59578979
  O     19.23917776      7.21507176    -14.59332160
  H     16.65498271      5.62887230    -11.10666464
  H     12.28254291     11.57235027    -13.20825177
  O     12.18620969     12.30115594    -12.57171084
  H     13.13759811      7.21138157    -14.90982660
  H     11.49785775     12.87052521    -12.90513688
          69
 Energy    -249.92647167583186     
  O     16.29056151     10.35311710    -15.88756154
  H     16.30719026      9.90418807    -16.75215439
  H     18.76447366      6.79313745    -17.16282493
  O     12.70454181      4.50674430    -15.75094572
  H     16.23674937     11.28835672    -16.06808920
  H     15.22157357      6.42634505    -15.95622394
  O     17.97061773      5.30874873    -12.05244893
  H     11.81430779      4.30975616    -16.03201139
  H     16.19686066      5.28148705    -15.50848209
  O     15.89672055      5.33896240    -19.10917359
  H     12.91450337      5.39826411    -16.08377204
  H     13.93951862      8.76341104    -14.00274598
  O     14.36571334      7.14127969     -9.65037103
  H     18.60009213      5.03541976    -12.72795851
  H     14.72462477      9.51380134    -15.11924435
  O     13.55641292      5.09338300    -13.13039098
  H     17.55568527      6.11950552    -12.39103689
  H     14.16572350      3.55246729    -10.05282378
  O     16.70922932      7.41466469    -13.20510143
  H     16.72390762      5.66741101    -18.73692568
  H     14.71523850      2.25819935     -9.40343223
  O     16.83391291      3.56054046    -15.13860446
  H     15.58518852      4.63349576    -18.52296895
  H     13.69217004      7.17512752    -17.49848628
  O     12.94269897      4.75960288    -10.39831516
  H     14.35812701      7.66012130     -8.85042405
  H     13.57386120      7.73801218    -16.03212125
  O     20.02799181      7.05457081    -15.70263333
  H     15.16808394      6.59051450     -9.61913951
  H     19.63122818      5.46948655    -14.88629712
  O     14.98129875      3.47422148    -17.24750033
  H     13.20506875      4.84069957    -13.99210072
  H     20.20320264      4.08528244    -14.52054154
  O     17.92147208      6.69823312    -17.61575893
  H     14.36424431      4.58002271    -12.99085015
  H     16.57852378      4.17380763    -12.34728806
  O     16.09808734      6.23806929    -15.59822086
  H     16.51578476      7.03721840    -14.07842009
  H     15.56159440      3.19010656    -11.71949030
  O     13.90087456      9.05105510    -14.92353510
  H     15.85431612      7.64105469    -12.82000415
  H     16.08183163      4.53935836     -9.62493419
  O     14.95789150      2.99251401     -9.96013576
  H     17.74441085      3.84199586    -14.99000069
  H     17.14377779      5.40471982    -10.33411795
  O     13.54594537      6.93465498    -16.57556175
  H     16.45030352      3.38914926    -14.26643833
  H     14.80618485      6.65370459    -19.27567423
  O     19.42245818      4.63040916    -14.44631939
  H     12.95253043      4.85093629    -11.36120754
  H     13.78378919      7.49930600    -20.07707102
  O     15.84933807      3.57159192    -12.55755629
  H     13.26217619      5.60351453    -10.05525305
  H     13.84827916      6.85583140    -12.70896388
  O     16.48420404      5.41687812     -9.62929297
  H     19.48654157      7.77700498    -15.33353880
  H     14.11723709      7.68319944    -11.42924829
  O     14.23112868      7.44156432    -19.23788663
  H     20.88742860      7.42634202    -15.88302206
  H     17.81268090      9.53310409    -15.12233311
  O     14.09095106      7.73934463    -12.39232347
  H     15.66107178      3.30201300    -16.58263167
  H     17.92974733      8.51722764    -13.98787683
  O     18.45165159      8.97648677    -14.66113238
  H     14.18313988      3.69729437    -16.75554365
  H     15.62519462      8.59789132    -18.63685638
  O     16.40058740      8.99339598    -18.22192331
  H     17.26713494      6.57644350    -16.90865938
  H     17.03772941      8.27369109    -18.11985550
          69
 Energy    -249.92621780093177     
  O     11.88762235     12.41042677    -13.23788817
  H     11.29120101     13.08673566    -12.92957950
  H     18.00104869     12.04710190    -14.31784148
  O     15.71689033     10.26655122    -12.25521646
  H     11.36508735     11.80135863    -13.79371170
  H     12.12109798      9.83660075    -17.61810387
  O     10.62334227     10.58981031    -14.74035377
  H     15.60443601     10.09963718    -13.20503373
  H     12.33795943     11.34638244    -17.43848040
  O     13.65791128      7.71308921    -15.47692384
  H     15.93871718      9.41557715    -11.85745123
  H     14.65478114      9.15218367    -15.13203609
  O     14.82629488      6.20784709    -13.47394463
  H     10.92897028     10.60251306    -15.66006776
  H     15.94619059      9.92259684    -15.53850139
  O     18.76425065      7.24247445    -11.94980279
  H     10.82378004      9.71248187    -14.39361436
  H     13.75183496     13.47818993    -17.90543693
  O     14.19108887     12.49209925    -14.86019831
  H     13.44309945      7.85064874    -16.40762942
  H     13.96296195     12.65583992    -16.61326629
  O     18.59399117      7.54144817    -16.14187345
  H     12.88675359      7.93827990    -14.93513545
  H     13.18832441      8.71587539    -10.64136865
  O     16.05873229      7.65148372    -11.37978039
  H     14.49578601      6.68685187    -14.24807728
  H     14.40789760      7.78945328    -10.45924006
  O     15.20423831     10.26059394    -18.46369633
  H     14.04341172      5.94422582    -12.97565628
  H     19.26574730      8.56099094    -14.66763729
  O     17.53187022      5.96429035    -14.21767146
  H     19.53949581      7.01535948    -11.44362726
  H     19.21780837      9.97555413    -14.06626693
  O     18.71806223     11.65607145    -14.84731849
  H     19.02473290      7.95790741    -12.55730879
  H     16.41010807     11.91767756    -12.79214575
  O     11.70473786     10.63705793    -17.27853927
  H     13.41148069     12.53792534    -14.29236547
  H     15.84431421     12.82107981    -13.89679920
  O     15.20173803      9.91974344    -14.92414287
  H     14.47492569     11.56429135    -14.88470467
  H     13.92589105     10.29923904    -11.94053775
  O     13.81655450     12.58709857    -17.57166003
  H     18.15514562      6.93912537    -15.51487547
  H     12.56989903     11.01058924    -12.17199472
  O     13.45658930      7.85390823    -10.29715362
  H     19.11739752      6.99568259    -16.72291337
  H     17.88264768     10.62109702    -16.15293200
  O     19.42442558      9.05818536    -13.85524872
  H     15.65785337      7.17889962    -12.12374338
  H     17.77664161      9.12539152    -16.57376465
  O     16.64809544     12.63631905    -13.39555250
  H     17.00927729      7.49233459    -11.43244456
  H     12.20448998      8.94305124    -12.96057303
  O     12.96805752     10.19544618    -11.84515755
  H     16.02217701     10.19758855    -17.95382163
  H     11.81034948      7.45225808    -13.05719171
  O     17.36385332      9.99416013    -16.67415582
  H     14.80245071     11.10768421    -18.23171321
  H     11.91949180      5.31218211    -11.52165781
  O     11.77952726      8.28884210    -13.53583380
  H     16.59168861      5.90508646    -14.00424356
  H     12.73863443      6.60432684    -11.28274040
  O     12.41547551      5.99203808    -11.96904037
  H     17.97452691      6.24049832    -13.40581617
  H     13.12907575      7.91600180    -18.96682095
  O     13.26981595      8.39148541    -18.15266386
  H     19.37486691     12.33780824    -14.96262709
  H     14.00151232      9.01527931    -18.31231390
          69
 Energy    -249.92620994801308     
  O     11.08116804      8.94004755    -11.22939560
  H     11.82502173      9.20189251    -10.65794079
  H     10.19717220     11.57295650    -16.48031595
  O     15.09925161     10.54484583    -13.18443545
  H     10.46327273      8.46831817    -10.67721036
  H     13.26455830     14.23009449    -14.98737121
  O     16.71374018     14.18888659    -13.91784760
  H     15.15051091      9.61787772    -12.91647747
  H     13.70754684     13.38069805    -13.76974412
  O     15.33357432      7.83511249    -12.61332286
  H     15.95720228     10.94989257    -13.00885223
  H     17.88382054     11.75477813    -15.82957742
  O     10.91657584     10.77697688    -13.32889789
  H     16.95015856     15.10826863    -13.82136933
  H     17.36289981     13.15654686    -15.46069794
  O     11.77446910     14.35782285    -15.95502427
  H     15.76317634     14.16722766    -14.12004974
  H     13.59628592     13.22113052     -9.44807936
  O     14.81573439     12.50987817    -16.84164750
  H     14.41301475      7.63195127    -12.84306016
  H     13.59810730     12.46516160    -10.79821481
  O     15.79086748      8.56936778    -10.04219174
  H     15.87157293      7.79057241    -13.41742464
  H     19.54786795     10.22182849    -14.61961308
  O     13.12771150     12.23375208    -12.48804593
  H     11.30423451     10.25666671    -14.05045041
  H     18.31836714     10.82420476    -13.90381656
  O     14.62552606      9.90321900    -15.84085008
  H     10.84136359     10.18426544    -12.57054170
  H     16.37905442     10.39095275    -10.06718107
  O     13.19031726      9.68578450     -9.70902037
  H     11.93187208     13.96177226    -16.82107991
  H     15.71855124     11.78001188     -9.98865153
  O     10.63975264     10.98955595    -17.10805451
  H     11.03377161     13.86874919    -15.57471962
  H     11.45248610      9.73184907    -16.08207599
  O     14.04219800     13.91653229    -14.50147829
  H     15.78326700     12.51008686    -16.80199043
  H     12.89967149      9.43489899    -15.61669249
  O     17.47452525     12.54597739    -16.19955919
  H     14.51487576     12.95088399    -16.03515437
  H     16.01406431      8.61081003    -15.48999877
  O     13.92333431     12.43748350     -9.88210451
  H     16.20301679      7.87383426     -9.53603223
  H     17.41753731      8.83530993    -14.91494147
  O     18.60428037     10.34290201    -14.69869208
  H     15.68047829      8.22821988    -10.94690809
  H     13.37859508     12.68311933    -17.87283612
  O     16.55884393     11.33574163    -10.15519101
  H     13.82464382     11.59254916    -12.70809602
  H     12.66121642     13.04998942    -19.19077288
  O     11.96933895      9.27907991    -15.40036394
  H     12.29288018     11.82300930    -12.74439455
  H     12.10879479      7.94972821    -12.53532188
  O     16.71001035      8.18188352    -14.97447618
  H     14.80868219     10.15247901    -14.92206616
  H     12.38415948      8.01322824    -14.04813613
  O     12.50588007     12.82692396    -18.27646568
  H     14.68642440     10.72306043    -16.34513373
  H     17.29462169     12.69758799    -12.94714742
  O     12.68219448      7.60048475    -13.22708307
  H     14.04351967      9.23780952     -9.75781060
  H     17.30347055     11.72208813    -11.70862668
  O     17.53650044     11.81240569    -12.64586922
  H     13.38971790     10.62775050     -9.65083813
  H     10.06315424     12.01878958    -14.29557137
  O      9.70927087     12.66066130    -14.93323685
  H     11.25483700     11.55254278    -17.59467630
  H      8.80278739     12.82282657    -14.68358459
          69
 Energy    -249.92547621273388     
  O     16.55206575      3.83455228    -15.19904845
  H     16.24374342      4.71028083    -15.46577480
  H     16.94664723     10.46682802    -14.67788113
  O     18.56463569      8.14086583    -10.18429657
  H     15.77566363      3.38485351    -14.84369241
  H     15.00650894      9.18712850    -17.62515602
  O     13.17676015     11.74242170    -11.08780599
  H     18.58431195      7.35603026    -10.75466357
  H     15.79122645      9.32431488    -16.29868806
  O     17.36869863      7.58495904    -13.76859509
  H     19.35297182      8.09874627     -9.64673611
  H     14.46303781      8.46302238    -12.39449166
  O     18.55456708      3.54598786    -13.37068812
  H     13.91529675     11.81323010    -10.47014166
  H     15.53262438      8.36581629    -11.27663624
  O     11.97483742      9.25534141    -10.38276759
  H     12.69650310     10.94193271    -10.84448602
  H     14.97001391      2.61076206    -13.01676626
  O     15.83689290      7.55818354     -9.64610382
  H     17.84269083      6.98069120    -13.18743410
  H     13.80862468      1.95438692    -13.80156174
  O     12.71322483      7.94061902    -12.65997750
  H     16.67002883      7.98456207    -13.22695738
  H     16.14298101     11.44753399     -9.68175037
  O     14.12500922      9.30727065     -8.49119516
  H     19.25297581      3.01837261    -13.74889713
  H     15.60106950     12.48985300     -8.67839540
  O     15.53962118      6.44984196    -15.46143078
  H     17.89031954      3.67117176    -14.07222397
  H     15.03842893      5.46696665    -11.86993372
  O     18.29540719      5.85232678    -11.79182233
  H     12.19144426      8.73622369    -11.17580952
  H     15.57925977      6.00903453    -10.50590763
  O     17.18756933      9.86254334    -15.39296903
  H     11.05471838      9.08998230    -10.19228781
  H     13.36690845     13.06573769    -13.93932086
  O     14.99323101      8.93989625    -16.70439228
  H     16.75612596      7.83708699     -9.56953594
  H     13.46431803     12.08426224    -12.74637349
  O     15.38090703      8.66810604    -12.18063030
  H     15.27606618      8.14155893     -9.11326762
  H     17.92644271      9.99654566    -10.57330890
  O     14.32415443      2.75303947    -13.73192296
  H     12.71603869      8.49895435    -13.45547493
  H     17.25472336     11.04533115    -11.50135540
  O     15.33866785     11.75827683     -9.23109154
  H     12.96757319      7.04328906    -12.91101275
  H     15.89585651     10.29595626    -12.74506424
  O     15.64668836      5.28345449    -11.14241790
  H     13.34085224      9.26017316     -9.05292940
  H     15.47077482     11.66018229    -13.31984654
  O     13.71081348     12.21517802    -13.68096141
  H     14.51077376     10.18067937     -8.63877841
  H     14.42795156      5.87576794    -14.13545708
  O     17.52603765     10.87162272    -10.58860828
  H     16.25111324      6.79826696    -14.90146226
  H     13.87527000      4.57733064    -13.50221043
  O     16.24488140     11.14058356    -13.07275865
  H     15.25063857      7.18775161    -16.00930733
  H     16.03486123      3.49634049    -11.39840434
  O     13.91793031      5.53445121    -13.38606536
  H     18.58617645      5.08018467    -12.29309278
  H     17.11368688      2.79824655    -12.24257005
  O     16.25897780      2.65344391    -11.82034397
  H     17.37834963      5.66232873    -11.53937675
  H     13.25211359     10.53906485    -14.45854907
  O     13.04859584      9.63820409    -14.73885465
  H     17.49442566      9.06430612    -14.94232715
  H     13.66472851      9.42238852    -15.44909918
          69
 Energy    -249.92477477623885     
  O     19.76034348     11.07461957    -10.76118552
  H     19.40884698     11.03873008     -9.85835105
  H     19.29777179     10.03572730     -7.80595190
  O     18.80095712      7.18244691     -9.32091413
  H     20.71468449     11.19719080    -10.70119773
  H     18.47021123     10.87686904    -13.59184353
  O     20.25702191      4.74763412    -11.38478806
  H     18.33649989      6.40766708     -9.65996371
  H     18.51926187     11.22545537    -12.09857087
  O     20.61255307      5.61163262    -14.10754383
  H     19.21981299      7.59569084    -10.09220552
  H     22.54863218     10.09779811    -10.15123006
  O     22.38427562      8.64014562     -9.19373876
  H     20.31819431      4.91664941    -12.33266641
  H     23.23956905     11.47194555    -10.30734741
  O     17.51419210      5.21919679    -10.78115661
  H     19.31838856      4.78076077    -11.16208572
  H     19.16201493      8.00215838    -13.15898990
  O     22.30739530      7.38821038    -12.68302472
  H     19.98596424      6.34745838    -14.21643309
  H     19.20440697      8.61712924    -14.56606194
  O     20.25148923      8.39565837     -7.34831218
  H     20.62262447      5.13110605    -14.93113642
  H     14.97127835      6.21337073    -12.67020711
  O     14.39535921      7.43082455     -8.96013276
  H     22.43021899      7.73061142     -9.51113784
  H     13.69091396      6.82641480    -12.08970480
  O     22.41192235      5.98122650    -10.25717339
  H     21.72742943      8.63427208     -8.48592918
  H     16.61900986     10.04118407    -12.13502782
  O     19.84680057      8.39462982    -11.54391074
  H     17.27937883      5.81257409    -11.51051385
  H     16.29303493      9.36570051    -10.75800759
  O     18.74735975     10.69091006     -8.25050478
  H     16.67677340      4.91514196    -10.41164064
  H     16.45329491      7.80761887    -12.39752204
  O     17.90845507     11.05200358    -12.82984709
  H     22.54217683      6.90941760    -11.87803327
  H     17.37287781      7.16026287    -13.45241514
  O     22.56459432     10.91334943    -10.68351337
  H     21.85817189      6.75185356    -13.25417933
  H     22.33322550     10.49127582    -12.54034357
  O     18.98954295      7.80357491    -14.09459707
  H     20.15407814      7.97939249     -6.49565267
  H     22.34417459      9.14471772    -13.27134539
  O     14.10360937      5.98152757    -12.31029361
  H     19.72791377      7.87008501     -7.97834390
  H     17.38799296      8.33141304     -9.09234266
  O     16.02753496      9.41927914    -11.68713566
  H     14.54654376      6.50511630     -9.18437467
  H     15.86053635      8.47223225     -8.85171028
  O     16.68727786      6.96015091    -12.80508024
  H     13.91911015      7.80861039     -9.71026687
  H     14.29785933      8.98503604    -11.57787320
  O     22.13684808     10.08182731    -13.39117246
  H     22.99333271      5.30087160     -9.92710995
  H     12.78400126      9.29168950    -11.57094904
  O     16.67005757      8.97543391     -9.02174237
  H     21.60538870      5.52993979    -10.56411407
  H     20.03817678     10.88185308    -15.63459514
  O     13.42006701      8.59848109    -11.41543559
  H     19.81495416      9.33595481    -11.32276689
  H     20.67688858     10.30267129    -14.35233757
  O     19.85396868     10.34020879    -14.87198109
  H     20.74604069      8.18090257    -11.81927953
  H     14.51216464      5.11054634    -10.84123658
  O     14.84144537      4.75757544     -9.99459943
  H     17.90196573     10.24989061     -8.41637695
  H     14.30632274      3.99586305     -9.78818851
          69
 Energy    -249.92456005958149     
  O     10.97584539     10.06064629    -11.01826718
  H     10.40935643      9.67360899    -11.69783982
  H     14.21857304     13.77291315    -14.71342038
  O     13.49230971      7.50239982    -15.13069172
  H     11.63934045     10.57996948    -11.48946254
  H     15.38883892      9.20927736    -13.01015600
  O     17.79967312     10.44922254    -11.41469364
  H     14.12833869      8.07742751    -14.67120990
  H     15.78552928      9.66997569    -14.44243117
  O     11.69355573      9.54716139    -14.65567518
  H     13.94778013      7.21490429    -15.92890247
  H     11.24907097      8.00666199     -8.60588406
  O     16.70110783      6.32607896    -10.84194721
  H     16.84448751     10.35199543    -11.30286060
  H     11.40149264      8.74142080     -9.96043937
  O     13.42115006      5.90854589    -12.86781892
  H     18.18705632      9.59482600    -11.18501749
  H     19.27330731      8.00275835    -12.90858716
  O     15.05712024      9.90214759    -11.36865733
  H     12.22340894      8.77578829    -14.90133960
  H     19.22385447      9.09359400    -13.98894281
  O     15.07006498      9.86891652    -17.43550323
  H     10.90607950      9.21817817    -14.20563443
  H     11.66420900      6.11037741    -12.18856236
  O     16.03375241      4.83476809    -13.19914216
  H     16.52120767      5.72761249    -11.57606117
  H     11.05377298      6.80260282    -10.94993523
  O     16.44500133     11.09667874    -15.29799435
  H     15.84677550      6.70086244    -10.59132878
  H     18.44765262     10.88692937    -12.94974793
  O     15.52441531      6.99890877    -17.05572391
  H     14.23125713      5.39110552    -12.94791896
  H     19.54457371     11.63208454    -13.74908383
  O     14.32848362     12.83574494    -14.57740765
  H     13.34916884      6.41638138    -13.68892066
  H     17.96907706      7.18151316    -14.55313983
  O     15.47152502      8.91612426    -13.92475958
  H     14.72142157      9.07272881    -11.00142697
  H     16.49034268      7.55702088    -14.39078827
  O     11.61990191      7.92229448     -9.47975131
  H     14.30530282     10.38501846    -11.73947960
  H     18.12747199      7.30188562    -10.94980664
  O     19.32306767      8.14272117    -13.86376010
  H     15.68890037     10.29416170    -16.82548371
  H     19.52847481      7.59451233    -10.36803228
  O     10.83753265      6.44953097    -11.82212628
  H     15.24670619      8.92451667    -17.38029812
  H     13.60955376     10.83324477    -16.86918794
  O     18.81447228     11.02600146    -13.84264448
  H     16.44351922      5.49066528    -13.78821053
  H     12.38954479     10.77799989    -15.91316868
  O     17.07412329      6.86495630    -14.74047720
  H     16.38411796      3.98274492    -13.44676196
  H     13.85484346      6.92997131    -11.39527608
  O     18.91641538      7.86375841    -11.04790501
  H     17.29789560     11.17750093    -14.85107014
  H     13.31740989      7.55180268    -10.08055372
  O     12.97137034     11.38262192    -16.39021025
  H     15.86060816     11.80169435    -14.98968289
  H     13.42536503     11.83327433    -13.22418073
  O     14.11974418      7.41102504    -10.59840196
  H     15.83272848      6.45861467    -17.77907229
  H     12.55795698     10.56899670    -13.39014772
  O     12.96991488     11.14327169    -12.72758616
  H     16.16707135      6.89434592    -16.33561894
  H     10.01282166      7.74208392    -12.66409738
  O      9.62518214      8.54730418    -13.05136953
  H     13.81288242     12.38702577    -15.27519745
  H      8.70071104      8.36671349    -13.19799316
          69
 Energy    -249.92407723716065     
  O      0.70731382      1.48093254      3.15851961
  H      1.02852786      0.85449362      2.49991384
  H     -5.70053747      5.16895328      2.64414243
  O     -3.21384165     -3.94511505      3.86366674
  H      0.85992652      1.08008384      4.02150878
  H     -4.19085415      3.84664257      7.70796323
  O     -4.58517749     -1.99518677      2.36150180
  H     -2.59378228     -4.23704552      3.18465016
  H     -4.53971840      3.14983713      6.37300037
  O     -4.87131478     -1.78846197     -0.42632195
  H     -3.84822947     -3.37836143      3.40473798
  H     -1.63691446      2.22311467      5.18566689
  O     -4.09971798      2.00776609      2.15718234
  H     -4.81771283     -2.01237910      1.42568214
  H     -2.30824255      2.46133651      6.55863434
  O     -3.78456374      0.68249180     -0.29807113
  H     -3.69372410     -1.61559560      2.41074844
  H     -5.77501443      1.75817729      4.86656181
  O     -1.18467002     -0.19328367      0.23740283
  H     -5.54954106     -1.84474205     -1.09303981
  H     -5.79637328      3.25785975      4.51454974
  O      1.45514990     -0.49867889      1.24281328
  H     -4.54661375     -0.86872435     -0.43113335
  H      1.42289263      0.90701781      6.49195051
  O      0.28465916     -2.47061800      2.70975836
  H     -4.54924082      2.84703357      2.31828881
  H     -0.05987377      1.06841546      6.09873964
  O     -1.38390184     -4.50082694      1.73779220
  H     -4.50532401      1.36150118      2.75115130
  H     -2.46340898      4.31305150      4.10374654
  O     -5.26348391      0.18485833      3.97283673
  H     -2.83278022      0.51387180     -0.31149644
  H     -3.24744801      4.62555435      5.39161671
  O     -5.30165979      4.40423969      3.04940554
  H     -3.94417670      1.20867735      0.49708350
  H     -2.28731510     -0.59053221      3.67350745
  O     -3.80416994      3.49565617      6.91041329
  H     -1.56289415     -0.27936497      1.12777065
  H     -1.27671699     -1.42129524      2.83614754
  O     -1.63064269      1.93720764      6.11425696
  H     -0.23062966     -0.16951599      0.36574524
  H     -0.50904373     -2.49316910      5.77573886
  O     -5.79010990      2.64151066      5.25753732
  H      1.11158126     -1.25917616      1.74468331
  H      0.47669987     -1.30103392      5.64629792
  O      0.74216069      0.54856465      5.92635499
  H      2.30868307     -0.75347733      0.90317219
  H     -2.58361437     -3.48998607      6.91966067
  O     -3.07119255      4.95346701      4.50205555
  H      0.38622626     -2.48361582      3.67459490
  H     -2.63183879     -3.34084827      5.37991893
  O     -2.05167755     -0.84824795      2.77409005
  H     -0.18193422     -3.26705496      2.42944551
  H     -3.13917859     -2.60334438     -0.36846732
  O      0.33918602     -2.22487410      5.40141451
  H     -1.70568689     -3.93195393      1.01441766
  H     -1.76164436     -1.95298582     -0.17265416
  O     -2.29520745     -2.93516005      6.20022367
  H     -1.20012969     -5.35437697      1.35481459
  H     -2.41313910      2.38295515      2.93376275
  O     -2.21069707     -2.80779862     -0.20562341
  H     -4.52444507      0.01531212      4.57799009
  H     -0.86283438      2.33704363      3.21070214
  O     -1.70292965      2.73229622      3.48599434
  H     -5.29992808     -0.59329050      3.40236046
  H     -2.49899645      0.36928733      5.78054935
  O     -2.98134019     -0.36099807      5.37435488
  H     -4.51600939      4.71676933      3.53332359
  H     -2.74187937     -1.19022555      5.80590580
          69
 Energy    -249.92399625507750     
  O     16.46281377     10.28124865    -14.30000653
  H     16.73562089     10.23919759    -13.37053551
  H     15.81190639      3.41853175    -12.44477402
  O     14.69140158      4.87481555    -16.70703577
  H     17.01282021      9.66367335    -14.79546176
  H     14.37801992      4.46595609    -13.61387132
  O     12.61773008      7.38239805    -12.09316775
  H     14.82881201      4.37506696    -17.50774259
  H     15.12424486      4.38469629    -14.97022975
  O     14.42938058      5.28884663     -8.90642912
  H     14.97790266      5.78571930    -16.89559880
  H     13.55505551      7.64918886    -10.62132224
  O     12.08542161      5.32250835    -15.56453044
  H     13.35450758      7.67839764    -12.65027416
  H     14.23834622      8.87287061     -9.99411598
  O     14.08599058     11.33278304    -15.12149175
  H     11.86647607      7.93491170    -12.34845977
  H     15.02805932      9.02825407    -13.98671938
  O     15.51824944      7.42085790    -17.19928077
  H     15.37503592      5.12717184     -9.01238013
  H     15.25357266      7.51986813    -13.84533758
  O     14.31865055     10.69420568    -10.58571068
  H     14.29457314      6.22482252     -9.10292283
  H     18.70693802      7.98544025    -15.78567560
  O     17.14084544      4.74672970     -9.70776080
  H     12.91141649      5.09550433    -16.00951216
  H     17.53439602      7.51228291    -14.89209094
  O     13.57415416      9.55826878    -17.33030485
  H     12.17243786      5.00013709    -14.65819484
  H     11.48979076      9.99661204    -13.09674605
  O     13.26764402      3.36593861    -10.44177011
  H     15.00735218     11.13215785    -14.89664868
  H     11.23622388      8.87879279    -14.12620923
  O     15.91260452      3.14772897    -11.52346047
  H     13.89715844     10.83814126    -15.92632797
  H     12.24127707     12.27030275    -12.78554961
  O     15.24619122      4.30909565    -14.01545483
  H     16.31127073      7.72963556    -16.74527018
  H     13.20920232     11.42265337    -13.63610541
  O     14.20612250      7.91068112     -9.95130031
  H     14.93611848      8.18382852    -17.29104892
  H     12.81034943      4.19452102    -12.05170999
  O     14.56300289      8.19356216    -13.85919255
  H     13.76299168     10.92001937    -11.34787589
  H     12.63435109      5.64770645    -12.55616603
  O     17.78346130      8.13372996    -15.59924001
  H     14.25010829     11.42595026     -9.97566710
  H     13.09642549      8.10347072    -14.95735413
  O     10.95009736      9.21513586    -13.26528146
  H     16.77871370      4.14132702    -10.37994178
  H     12.08136920      7.11359835    -15.58010405
  O     12.74074573     11.45664343    -12.78259136
  H     17.84564460      4.28077401     -9.26668485
  H     16.84284016      6.74425879    -12.68875215
  O     12.76184566      4.73376729    -12.85027633
  H     13.07907597      9.75780100    -18.12099957
  H     16.35075768      5.68475976    -13.73606945
  O     12.28992117      8.05484968    -15.49228476
  H     12.99138263      9.02337456    -16.76152084
  H     17.02230332      9.05412054    -11.35264969
  O     16.81056612      6.52912438    -13.63164579
  H     13.60426188      4.06435308     -9.85223677
  H     16.08626298     10.27145918    -11.22547808
  O     16.91539870      9.97556260    -11.62075520
  H     12.74477814      2.77878773     -9.90247704
  H     15.85129674      7.43209539    -10.62526499
  O     16.73324165      7.21112868    -10.95692777
  H     15.01557197      3.06015681    -11.17627593
  H     17.01006564      6.41451737    -10.48677230
          69
 Energy    -249.92326520163820     
  O     10.87747523      9.45303313    -15.23138505
  H     10.88523916     10.21187461    -14.63139402
  H     18.99817001      8.71971537    -15.79351722
  O     14.15010874      7.49153471    -12.07352869
  H     11.19204912      8.69925556    -14.71992401
  H     16.68427549     11.51142405    -17.66926814
  O     16.14890585     12.18397510    -14.68497212
  H     14.14588044      8.34764006    -11.62451246
  H     15.29788213     10.84262186    -17.54307814
  O     11.75679225     10.38743406    -17.63645516
  H     15.00323739      7.42438341    -12.51878710
  H     11.42515241     11.79562071    -12.68638450
  O     13.92152631     10.66056201    -14.01665405
  H     16.68953133     11.45789678    -14.33535437
  H     11.46518241     12.58540061    -14.02626697
  O     13.40059452     14.10065924    -12.19377807
  H     16.07216783     12.06636575    -15.64015062
  H     16.51445415     12.25660649    -11.46057319
  O     12.19569983     14.12924632    -14.78523020
  H     11.44373510     10.00738085    -16.79655713
  H     15.81499872     10.94127614    -11.06031656
  O     16.98580006      8.29360925    -18.20918894
  H     11.01279213     10.37486553    -18.23313912
  H     12.74704090      7.29337907    -13.12962058
  O     14.10109366     10.19640696    -11.28956487
  H     13.05425934     11.08231571    -14.00174030
  H     11.64095938      6.36228266    -13.67124155
  O     18.13302592      7.02002236    -16.08202954
  H     14.58822359     11.31250456    -14.26611819
  H     12.66485214     11.97792309    -17.15266523
  O     16.39546993      7.64426052    -13.92663438
  H     14.36408889     14.08875539    -12.25797739
  H     14.10099604     12.54077719    -17.11313132
  O     19.19509178      9.65957663    -15.69650386
  H     13.06621675     14.20985484    -13.09253306
  H     17.38839042     10.50088252    -12.60369845
  O     15.77734192     11.66719874    -17.37620141
  H     11.73659464     14.88970763    -15.13233149
  H     17.14825256      9.27846924    -13.54885479
  O     11.32320643     11.70972162    -13.64319459
  H     12.59863683     13.67675642    -15.54800224
  H     16.18784148     13.35288488    -13.36828691
  O     16.68314939     11.34965518    -11.18101018
  H     17.47465007      9.12169961    -18.29138145
  H     16.87688120     14.51459469    -12.61532974
  O     12.06139870      7.20583136    -13.81609044
  H     16.05183262      8.53690797    -18.23893785
  H     14.33067338      8.84945673    -16.99475919
  O     13.18854765     12.73900661    -16.87173946
  H     13.38668074     10.76465554    -10.97999329
  H     13.46804982      9.62806982    -17.99412309
  O     17.56357128     10.14957890    -13.48858888
  H     14.11253944     10.30552717    -12.25338061
  H     12.55608240     12.88179080    -11.30390238
  O     16.17452418     13.87266453    -12.54580259
  H     17.67874568      7.39867511    -16.85581622
  H     11.57995249     12.46595633    -10.17468471
  O     14.36318567      9.29833476    -17.85499412
  H     18.56349774      6.22347171    -16.38125380
  H     19.11733001     11.13744861    -18.49485212
  O     12.04546346     12.13534587    -10.93797378
  H     15.61299068      7.84109266    -14.46376440
  H     18.71629001     10.46770136    -17.15855633
  O     18.36882933     10.81605489    -17.99993106
  H     17.04606335      7.29601124    -14.54877046
  H     13.40256593      7.75511886    -14.99967645
  O     14.12187553      8.29422532    -15.34857231
  H     18.76916852      9.92498038    -14.86990327
  H     14.04214455      9.15561439    -14.90586424
          69
 Energy    -249.92314992948008     
  O     -2.09278338      3.95201925      2.91438299
  H     -2.83402006      4.55616619      3.04788241
  H     -3.63805866      1.40433446      0.24641597
  O     -0.74596372      0.24141626      3.26824579
  H     -1.99271369      3.85590682      1.95509462
  H     -6.71610997      3.07452765     -0.65728537
  O     -4.14554321     -2.04831073     -0.67330171
  H     -0.77530137      0.19225825      2.30011076
  H     -5.81974250      4.29088523     -0.25377437
  O     -1.71664219     -2.60974515      0.37086051
  H     -0.22257378      1.02374633      3.47894910
  H      0.76791818      2.59773932      1.58828954
  O     -4.60406147      1.39160895      1.70829353
  H     -4.37066472     -1.38298072     -1.33175889
  H      0.33193966      1.59217473      0.50699329
  O     -6.32521803      3.51237186      2.51064493
  H     -4.70251577     -1.85327993      0.09465121
  H     -4.85270007      6.18296446      3.38872549
  O     -7.86119720      0.25972109      1.04621989
  H     -1.36820612     -3.40108518     -0.03063127
  H     -5.14464964      4.74987910      2.88576446
  O     -3.08245307      1.56081938      4.00083578
  H     -2.58139381     -2.43979709     -0.04465106
  H     -0.83272181      3.44662472      0.20057034
  O     -4.86494655      0.19507872     -2.34645129
  H     -5.21939039      2.11937417      1.85349001
  H     -2.24070739      2.95215251     -0.19575931
  O     -5.57863020     -1.22188640      1.55374155
  H     -4.04194073      1.35911077      2.49453909
  H     -3.32150631      4.77071013     -0.04590011
  O     -4.74198285     -2.25308979      4.03350003
  H     -6.92721149      2.89166445      2.93658390
  H     -4.26825742      5.40832504      0.97636190
  O     -3.06695143      1.39291699     -0.53787319
  H     -6.61760730      3.66624406      1.59636028
  H     -5.29794288     -0.55444350      4.65712851
  O     -6.68852073      3.87778270     -0.12931947
  H     -7.19258501     -0.42628680      1.18537221
  H     -4.69199761      0.85696259      4.70635108
  O      0.67560746      2.48664515      0.63492104
  H     -7.95835949      0.68901594      1.90357325
  H      0.90632953      3.35635965      4.11107018
  O     -4.45082940      5.42815429      2.96681702
  H     -2.80503263      2.44726813      3.73288970
  H     -0.45449342      3.32006958      3.38139382
  O     -1.76066379      3.71623912      0.15588415
  H     -2.31668167      0.99034574      3.84936079
  H     -8.45479615      1.40947106      4.33285874
  O     -4.21004061      5.13484974      0.05404100
  H     -4.88922871      0.24731175     -3.29898354
  H     -6.97436309      1.02678585      4.10547428
  O     -5.51878904      0.37072057      4.82140154
  H     -5.70100895      0.56955458     -2.02431722
  H     -1.60820915     -1.43272511      3.35478553
  O      0.37885861      2.83705001      3.50930335
  H     -5.37757985     -1.65699880      2.39061030
  H     -2.02959638     -2.40873985      2.23797770
  O     -7.75847462      1.42019431      3.68152713
  H     -5.24479863     -0.31410878      1.62308599
  H     -1.60525530      0.50905262      0.09191123
  O     -2.18820086     -2.18008251      3.16221727
  H     -4.89136454     -3.08161459      4.48073595
  H     -1.00309483     -0.88304108      0.38212140
  O     -0.84691503      0.06255193      0.49493491
  H     -3.80457579     -2.24396320      3.76739814
  H     -7.46783077      0.93984338     -0.50378927
  O     -7.21152326      1.29783093     -1.37267648
  H     -3.59161207      1.02374331     -1.25543566
  H     -8.02473138      1.44429983     -1.85076353
          69
 Energy    -249.92288796720064     
  O     -1.59366140      4.61133869      4.01664317
  H     -1.45443482      4.32130251      3.10511082
  H     -2.83012923     -3.66745142      2.69883232
  O      0.93689690      1.55801021      0.92759189
  H     -1.02465511      4.04778514      4.55554774
  H     -4.28464955      5.09823669      5.63080263
  O     -1.22465976     -0.82093037      3.12242213
  H      1.64261355      1.69795442      0.30106443
  H     -3.19377356      4.50244014      4.70810295
  O     -4.76802703      0.51088642      1.11575820
  H      0.49224794      0.73405685      0.66682943
  H     -2.45766750      3.24938535      0.12484609
  O     -3.54479145     -2.39572826     -1.26363858
  H     -1.75344405     -0.01055950      3.04620027
  H     -3.97336476      3.17964318     -0.14809456
  O     -0.51558196     -0.73995495      0.47403059
  H     -1.83233651     -1.48899728      3.45985836
  H     -5.27398107      3.40424397      4.05181011
  O     -3.89119443     -0.68430055      6.25399414
  H     -5.21184930      1.34672330      0.92637869
  H     -5.94141487      2.01349312      3.84135787
  O     -5.95492465      0.28932410      4.46003911
  H     -4.11246471      0.37027252      0.41827350
  H     -0.46503890      2.78607864      1.32830312
  O     -0.21980086      2.63124443      5.57752358
  H     -2.68315136     -2.78115599     -1.06243344
  H     -1.81579497      2.59146960      2.05919518
  O     -2.82119936      0.28675353     -0.83203160
  H     -3.40398457     -1.43976002     -1.26817043
  H     -6.50080012      3.49934071      0.44518546
  O     -5.52169684     -1.70775541      2.47768087
  H     -0.56732567     -1.63672804      0.12162246
  H     -5.76404960      3.12127555      1.75163833
  O     -2.72308153     -4.10592370      1.84616947
  H     -0.75751568     -0.81729216      1.41024829
  H     -4.08861241     -2.16559054      3.50235269
  O     -4.02751993      4.30330498      5.17160074
  H     -3.49254874      0.19566869      6.14502033
  H     -3.45473510     -1.94264529      4.88814891
  O     -3.11103619      3.00944614     -0.54572707
  H     -4.00368257     -0.81954287      7.19181065
  H      1.02620235      1.23324803      2.83710159
  O     -5.83433654      2.89551634      3.45609214
  H     -6.00725891     -0.42639680      3.81369223
  H      0.22914469      0.20213019      3.65007808
  O     -1.27312899      3.24370055      1.58702892
  H     -5.37469807     -0.04359410      5.15290970
  H     -1.95981672      2.04328257      5.76689101
  O     -5.69195459      3.12094842      0.77914364
  H      0.43273648      2.78732252      6.25501687
  H     -3.38450660      2.65696832      5.71903213
  O     -3.32054203     -2.39607509      4.04750680
  H      0.19614952      2.04560201      4.92006242
  H     -5.78529312     -4.25196185      0.00389242
  O      0.83061440      0.95489600      3.73904923
  H     -1.99030949      0.03463153     -0.40959162
  H     -4.68538509     -3.18240380     -0.19387581
  O     -2.90108572      1.82119532      5.76138605
  H     -2.85618378      1.25465610     -0.87400468
  H     -1.59050061     -3.67462034      0.57867508
  O     -5.19881191     -3.66803594      0.47691883
  H     -5.57483341     -2.42911917      1.84016346
  H     -0.56339428     -4.16435675     -0.46841122
  O     -1.06982577     -3.40284220     -0.19899737
  H     -5.28721980     -0.91801045      1.96339406
  H     -3.59871240      1.12852096      2.43766270
  O     -2.80693687      1.38233160      2.92887538
  H     -3.59678555     -4.09216912      1.43401370
  H     -3.04781701      1.55343564      3.84545164
          69
 Energy    -249.92282060363314     
  O     10.48417635     12.04700000    -10.15782248
  H     11.19039724     12.41776020     -9.60722609
  H     14.42994144     12.01231919    -14.91660710
  O     13.38162852      8.29308027    -16.70150299
  H     10.37706960     12.65892919    -10.89314632
  H     17.24350856     10.38185575    -10.70453736
  O     10.66532362      9.40218431    -10.53695931
  H     13.75782751      7.84813427    -17.45630283
  H     16.84459657      9.01169697    -11.31030582
  O     13.98439103      8.33897146    -13.94753358
  H     13.33757985      9.23906551    -16.92707889
  H     14.67560539      8.35343495    -10.83711934
  O     12.67001841     13.17700692     -8.89361812
  H     10.55608008     10.35846723    -10.37612566
  H     14.91635010      7.96091513    -12.30672852
  O     13.01760740     10.95013009    -17.26291859
  H      9.92165395      8.96520644    -10.13192231
  H     13.82034553     14.42613456    -12.25647913
  O     11.52416836      9.43100821    -13.21177616
  H     13.85078844      8.16919128    -14.88857864
  H     12.33648365     14.10569138    -11.87934305
  O     14.53064326     11.14813189     -8.00540726
  H     13.14163515      8.67957479    -13.61182651
  H     12.47622568      9.33116435    -10.01648895
  O     14.13641812     11.41408763    -11.73545847
  H     13.34370455     12.58352115     -8.54260565
  H     13.63705496     10.15815049    -10.61102889
  O     17.06314029     13.33725679    -12.41043297
  H     13.04003710     13.58081949     -9.68865400
  H     17.94957305     10.40426220    -12.75204109
  O     10.57190253     13.82301087    -12.42290988
  H     12.05944624     11.05863201    -17.21911894
  H     18.87741040     10.66184010    -13.96705553
  O     13.87409154     12.75148956    -15.21522112
  H     13.38643556     11.65632416    -16.71826132
  H     12.22992091     12.31814250    -14.61479500
  O     17.55767026      9.66650173    -11.27100337
  H     11.50493188     10.36127739    -13.47149720
  H     10.86379186     11.77029827    -15.12029575
  O     15.34190101      8.00379900    -11.44174633
  H     11.19300070      9.37405356    -12.30738176
  H     15.91641725     11.77703272     -9.20769731
  O     13.25270778     14.03627444    -11.58037520
  H     14.58232802     10.75600938     -7.13754721
  H     15.59134353     11.74901346    -10.70005909
  O     13.42133049      9.49834006     -9.93022820
  H     14.13579624     10.47962231     -8.59073671
  H     16.28478391     10.71672272    -14.05203608
  O     18.03968162     10.90559699    -13.58510473
  H     14.55265340     11.24021487    -12.58835783
  H     14.98001200      9.83561257    -14.11777094
  O     11.34512182     12.04623278    -14.32963580
  H     13.76696949     12.30672148    -11.73864777
  H      9.42290748     11.07899169    -17.21182513
  O     16.31047753     11.92705627    -10.07382507
  H     17.49158301     12.60753058    -12.87383445
  H     10.27687030     10.08513637    -16.38539863
  O     15.32760216     10.73602622    -14.17346051
  H     16.92882172     13.02639107    -11.50560369
  H     15.42985293     15.62460661    -13.82064309
  O     10.20453482     11.01451719    -16.67073480
  H      9.89555714     14.40905762    -12.75195219
  H     15.81974545     14.26920202    -13.18892658
  O     15.08632331     14.76280719    -13.60002011
  H     10.77157611     13.18903211    -13.13321034
  H     11.54055003      8.26866899    -16.11737593
  O     10.69009322      8.52300712    -15.73796355
  H     14.24420201     13.53846248    -14.80061669
  H     10.86494453      8.69897491    -14.80257422
          69
 Energy    -249.92243350261214     
  O     14.05634164      9.28981261    -17.54403297
  H     13.46054293      9.62619909    -18.20765829
  H     15.12725163      3.30319212    -12.93095669
  O     15.68542635      6.73247206    -12.03369253
  H     13.71611825      9.59091870    -16.68142248
  H     20.50699250      6.91821268    -11.39716008
  O     19.53349675      9.83619967    -13.20266313
  H     15.51097545      5.80336164    -12.21834503
  H     19.43620590      6.91218529    -12.51374488
  O     20.42023081      8.47114389    -15.45265702
  H     15.93821799      7.11805388    -12.88840033
  H     17.91225704      8.56556535    -17.54751829
  O     13.20766123      5.79859042    -14.51736108
  H     19.13873296     10.43801738    -12.55114359
  H     19.19826030      8.03583390    -16.88865382
  O     15.58572368     12.27260449    -10.67384310
  H     19.68635602      9.01943073    -12.70995435
  H     15.87626548      7.35858956    -15.18701860
  O     13.72125597      8.63674577    -11.63564694
  H     20.13575339      9.07919584    -14.75103740
  H     16.63365550      8.58585633    -14.58604060
  O     17.05777171     10.32628644    -14.59568685
  H     21.30555976      8.73393773    -15.69331409
  H     12.65062055      9.32558278    -14.62468479
  O     17.25786367      4.33397562    -15.03915065
  H     13.80200771      5.20761144    -14.04255413
  H     13.71077070     10.43418830    -14.44587226
  O     15.12940875      9.84986121     -9.51772849
  H     13.69287579      6.08296459    -15.30547507
  H     18.24246704      8.00279444    -10.71145713
  O     18.92249663      6.43800922    -14.16055068
  H     15.32476103     13.01450283    -10.13584038
  H     16.75382957      7.74153300    -10.94418445
  O     15.22377606      4.20887319    -13.21327863
  H     15.39209212     11.46790918    -10.15882672
  H     12.30507497      7.14008380    -13.91733730
  O     19.74389048      7.38812896    -11.72399672
  H     14.34148064      7.89914748    -11.73008026
  H     10.91711425      7.74201794    -13.58913455
  O     18.49425064      7.79101466    -17.49629525
  H     12.96751223      8.42930924    -12.20095776
  H     17.34036866     11.58729776    -11.08704285
  O     16.45853588      7.64295274    -14.47257612
  H     16.34884196     10.59432787    -13.99375484
  H     17.78382239     10.12067851    -10.96208042
  O     13.15957597      9.99167348    -15.10299274
  H     17.87449654     10.26207128    -14.08778953
  H     17.22697851      5.11322918    -18.48208825
  O     17.36553296      8.32776770    -10.47580521
  H     17.14745471      4.62406968    -15.95286072
  H     17.61284168      6.32326913    -17.59828963
  O     11.84916652      7.94132342    -13.60066052
  H     17.97514377      4.87832823    -14.68972212
  H     15.04429944     11.48435350    -12.29573694
  O     18.07771217     10.99296136    -11.25968843
  H     14.48024087      9.43452539    -10.10244902
  H     14.49658898     10.06038597    -12.52322476
  O     17.04779575      5.52937183    -17.64345667
  H     15.93057299      9.31869511     -9.60983240
  H     15.88414681      9.81454657    -17.50441477
  O     14.84477291     10.83771818    -12.98316568
  H     19.53397401      6.95729388    -14.69664481
  H     16.92293301     10.23990049    -16.44741861
  O     16.82678486      9.96546415    -17.36983476
  H     18.04613331      6.83411420    -14.29730752
  H     15.49298419      6.33754216    -17.06707174
  O     14.79792694      6.78044117    -16.56373970
  H     15.93412051      4.21696229    -13.87879817
  H     14.55085695      7.59406353    -17.02252620
          69
 Energy    -249.92194690276659     
  O     17.41809161      7.80797650    -15.49995237
  H     17.41446703      8.44855069    -16.23389510
  H     17.96387452     10.44026112    -17.27347839
  O     14.83129587     11.11513466    -15.08754719
  H     17.47552309      6.94054540    -15.89201470
  H     17.78801303     11.15243044     -9.97075913
  O     21.04916049     11.75033468    -11.30865374
  H     14.84495944     10.96905313    -16.04243969
  H     16.47865244     10.66162425    -10.61943900
  O     20.12199887     14.01619467    -12.65482616
  H     15.75318967     11.14795372    -14.78400829
  H     19.54214607     16.17924571    -14.63463699
  O     15.77903412      8.95806118    -11.14567655
  H     20.79516819     12.63061007    -11.61669006
  H     18.17103422     16.07525780    -13.93924189
  O     19.49086626     10.46834964     -9.50930562
  H     21.30842499     11.26326798    -12.09911055
  H     20.11370088     12.50743215    -15.67838255
  O     19.14602051      9.10838717    -13.71695798
  H     19.84327530     14.91589345    -12.87769154
  H     21.24463925     12.04941374    -14.73617012
  O     14.94603433     10.98542538    -17.91950345
  H     20.36385405     13.60064680    -13.49343965
  H     17.59572522      8.47206740    -11.10769535
  O     17.73564111     14.64940043    -16.79380167
  H     15.56476300      8.83503194    -12.08631696
  H     18.92917276      9.00153001    -10.54270700
  O     18.60992055     12.01869278    -16.52217474
  H     15.08558941      8.52706168    -10.65240070
  H     16.10919288     14.08153463    -17.55471646
  O     15.23629966      8.61537771    -13.79305968
  H     19.90554769     10.50489505     -8.65179292
  H     14.75753221     13.84650730    -16.85631966
  O     17.40766776      9.67209615    -17.46046160
  H     20.07876111     10.94193866    -10.12464657
  H     20.70612647     14.52239170    -15.84221170
  O     16.95278630     11.45690412    -10.34797594
  H     18.97406207      8.79102709    -12.81578781
  H     21.17626705     15.75258284    -16.64707831
  O     19.09394735     16.31679229    -13.79104581
  H     18.63983681      8.56216689    -14.33071933
  H     16.84372468     14.39778422    -13.53797957
  O     20.85042227     12.83275908    -15.13864078
  H     15.08511662     11.94939886    -17.93206376
  H     15.67152423     14.70670659    -14.49025955
  O     18.55468815      8.37685762    -11.17724178
  H     14.26438160     10.79901763    -18.55965887
  H     22.22929714      9.79987344    -13.95959502
  O     15.24404102     13.66776790    -17.67085923
  H     17.35266805     14.77438448    -15.91123098
  H     20.69556821      9.93825038    -13.82565918
  O     20.42209559     15.38078407    -16.19591114
  H     18.62377941     15.02254264    -16.75974423
  H     17.44905542     11.94399700    -13.49350176
  O     16.57813421     14.96027339    -14.28162552
  H     18.16522704     11.75950715    -15.69879576
  H     17.98208337     10.53019460    -13.90727532
  O     21.53175264     10.43586944    -13.82116786
  H     18.26157592     12.88884479    -16.75594586
  H     14.29317597     12.83644261    -14.95927914
  O     17.42506764     11.26773969    -14.18404127
  H     14.91190200      9.41784932    -14.22045529
  H     13.22604451     13.92002553    -14.68456386
  O     14.10228577     13.78618516    -15.03716048
  H     15.93726674      8.27689329    -14.36305434
  H     17.24885217     12.70840561    -11.54258682
  O     17.46667807     13.26044937    -12.30846731
  H     16.55646165     10.03799451    -17.73101093
  H     18.40545454     13.48818653    -12.27550260
          69
 Energy    -249.92142334412978     
  O     15.64343275     13.48254782    -11.76240094
  H     15.15346909     14.21424999    -12.12615721
  H     14.34295510      9.24017072     -7.53779145
  O     17.80937758      6.55591386     -4.16165251
  H     15.98470897     13.77363612    -10.89551089
  H     18.95658144     11.82083681    -11.70769551
  O     15.23084873      7.32725515     -4.55190256
  H     16.87063006      6.75693447     -4.32788678
  H     20.01438148     10.96062971    -10.92527430
  O     13.45405826     10.51756857     -8.56931446
  H     17.84772426      5.65270127     -3.85953300
  H     20.26926288      8.90438669     -7.33832502
  O     19.47014549     13.93304858     -9.20221370
  H     15.02168953      7.70080235     -5.41869466
  H     20.36001890     10.39921549     -7.69325709
  O     19.25366516     11.89781851     -7.28260918
  H     15.07311313      8.03310990     -3.91293955
  H     16.13125674     13.62407221     -8.59788971
  O     20.72204438      9.26704491    -10.62108585
  H     12.53201852     10.58709655     -8.80299735
  H     17.51304594     14.08214530     -9.16144468
  O     17.28843342      8.22016095     -8.36479400
  H     13.96347522     10.64022645     -9.38928558
  H     17.99763864      8.16141096     -3.07695273
  O     15.70598544     10.81046986     -5.28388979
  H     20.04741161     14.63884951     -9.48142222
  H     18.26111557      9.65131382     -3.37216047
  O     15.05914817     10.97280116    -10.70150442
  H     19.55977193     13.22052522     -9.85902024
  H     16.05800567      8.71735380    -13.18778980
  O     15.17136087     12.59032930     -7.43012328
  H     18.51997543     11.52115603     -7.79282834
  H     17.04317802      8.81011737    -12.00031563
  O     14.93150006      8.71624692     -6.98061273
  H     19.47270176     12.72018931     -7.73398299
  H     16.63929114     11.05550155     -9.52590641
  O     19.50926533     11.78276503    -10.91153077
  H     20.75547768      9.31512608     -9.64783242
  H     18.15967085     11.10904819     -9.81880841
  O     20.69668414      9.52793732     -7.93884220
  H     21.56289018      8.92146673    -10.90852582
  H     18.85517452     11.17827704     -5.64748395
  O     16.56520665     14.08918692     -9.32872733
  H     17.89611693      8.08017435     -7.62596579
  H     17.49143375     10.71809439     -5.08857973
  O     17.90181199      9.04766340     -2.70688453
  H     17.40279942      9.14224533     -8.64569900
  H     18.70154911      7.46045017     -5.53109376
  O     16.38805246      9.31099083    -12.51878088
  H     15.42447252     10.54408334     -4.39985478
  H     18.82140331      8.98271335     -5.74934792
  O     17.50378363     10.83614794     -9.16358036
  H     15.46340242     10.08412804     -5.87645455
  H     19.08108604      8.35038317    -10.93606202
  O     18.44802200     10.59744159     -4.99205490
  H     15.14637628     11.84926574    -11.09936014
  H     17.86997118      7.86448447    -10.11197850
  O     18.99497561      8.12500302     -6.16563272
  H     15.44876584     10.33852003    -11.31782897
  H     14.86821719      9.80911126     -1.92870742
  O     18.19288020      7.98231799    -11.01564471
  H     14.48189719     12.02166811     -7.78985462
  H     16.18531597      9.42332568     -2.64421361
  O     15.23636629      9.59694968     -2.78167872
  H     15.42784931     12.16320292     -6.60327191
  H     16.99933713     12.46593934    -12.63531052
  O     17.67542009     11.83585653    -12.91626056
  H     15.69406964      8.46045487     -7.51916770
  H     17.25259597     10.96776030    -12.91267280
          69
 Energy    -249.92085268815947     
  O     12.61520282     10.52160709    -15.89407815
  H     13.02661679      9.70923004    -16.22133535
  H     18.99179227      6.33131863    -14.47453379
  O     15.56177008      6.41175984    -12.66599507
  H     13.29374293     11.20155791    -15.96344003
  H     15.20336465      9.48039315    -17.56239674
  O     17.66356616     10.26320031    -12.16632441
  H     14.81376491      6.75016986    -12.15553553
  H     16.72164822      9.71621494    -17.61115726
  O     18.28617667      8.73931629    -17.21744236
  H     16.36671431      6.68215771    -12.20485617
  H     16.83136401      8.53580000    -14.64957899
  O     12.83329440      5.91174423    -15.84017173
  H     16.87336007     10.59984219    -12.61333956
  H     15.72680030      7.69480012    -13.94974501
  O     14.46657442     10.55836230     -9.36618840
  H     17.59897408     10.55168259    -11.24717677
  H     10.29002205     10.29743826    -13.78738915
  O     13.48153607      7.58694565    -11.27884500
  H     19.08340434      8.80118084    -17.73925402
  H     11.65483227     10.19365249    -14.51247713
  O     15.38134366     10.94035437    -13.60513710
  H     18.52479475      9.01072291    -16.31544205
  H     17.41644227      7.69383436     -9.81150540
  O     14.37693365      7.77848789     -8.62352690
  H     12.49221633      6.32849328    -15.02847659
  H     17.21085297      8.99955165     -9.02857517
  O     18.00009397      6.10097903    -15.85611533
  H     12.15327794      5.31925787    -16.14906784
  H     11.57786724      8.07819865    -13.68316679
  O     15.51782895      5.12084391    -15.14295161
  H     13.97768508     10.59525820    -10.19951772
  H     12.37749306      7.14790854    -12.75984258
  O     19.53514849      6.62164219    -13.71764889
  H     14.31429743      9.67507161     -9.00877297
  H     18.49641869      9.69593983    -13.74969630
  O     15.87262046     10.16665011    -17.69331489
  H     13.69614483      7.53663765    -10.33946526
  H     19.12996599      8.36147694    -14.23247549
  O     15.87847143      8.43570649    -14.55177907
  H     13.44857249      8.52896355    -11.49964535
  H     17.79859309      8.42755659    -11.81799021
  O     11.17215734      9.94667099    -13.70214675
  H     15.45749180     10.03519707    -13.94858594
  H     18.52973536      7.11568421    -12.22477975
  O     17.05596993      8.04777352     -8.98751877
  H     15.27653298     11.50835711    -14.37755746
  H     17.42601662     11.58588972     -8.89266767
  O     11.92459534      7.18076370    -13.61146989
  H     15.34637392      7.79386162     -8.71747692
  H     16.18126138     10.84543708     -9.43788197
  O     18.70482937      9.17553002    -14.53616753
  H     14.18677671      7.33738166     -7.80019504
  H     12.49113905     10.27336243    -12.43556813
  O     17.89400368      7.48879978    -11.60162657
  H     17.91648880      6.82341857    -16.48419197
  H     14.00441257     10.61345318    -12.48202507
  O     17.15456877     10.88218684     -9.47576664
  H     17.11418472      5.73516652    -15.70833145
  H     15.35011107     11.50374782    -16.70042863
  O     13.29234279     10.31451433    -11.89874977
  H     15.51641364      5.38270515    -14.21137956
  H     15.06375256     13.01363516    -16.52578839
  O     14.97424068     12.16833121    -16.09465110
  H     14.62429992      5.29622837    -15.45778394
  H     14.74029050      8.29897000    -15.95356415
  O     14.09055229      8.27361811    -16.67309852
  H     20.32627252      6.09054763    -13.72486150
  H     13.61664109      7.44080346    -16.56817045
          69
 Energy    -249.92083576008545     
  O     11.08807046      8.64842161    -15.10440724
  H     10.73470552      9.32012626    -14.50907500
  H     18.84455265      9.47173683    -14.99408519
  O     15.83434280      7.86059549    -10.96042712
  H     11.15747867      9.06124183    -15.97483052
  H     17.32421337     10.73115076    -10.46597313
  O     16.36502209     12.04093007    -14.42530604
  H     15.78314270      7.02350804    -10.50545485
  H     17.22423007      9.21121231    -10.68593175
  O     11.63553671      9.84857045    -17.66912537
  H     15.99808442      7.65673866    -11.89646052
  H     16.48376246     11.03821705    -17.42629459
  O     14.06724063     10.73233960    -13.65184030
  H     16.97219176     11.34714383    -14.12779511
  H     15.14632635     10.39992701    -17.00665679
  O     12.74289637     13.94811076    -12.23098877
  H     16.15998972     11.86480346    -15.35409364
  H     10.66226010     10.93565432    -12.53104914
  O     14.15147895     10.14823724    -10.96848892
  H     12.04380826     10.72286956    -17.53381563
  H      9.24868106     10.82272022    -13.14418339
  O     12.05737079     12.48866765    -14.52109881
  H     11.10846011      9.91045697    -18.46109061
  H     15.76892944     12.27346783     -9.14208135
  O     16.64974561      7.76734873    -18.01371491
  H     13.34405979     11.28739708    -13.96745638
  H     15.26474911     11.37778080    -10.29811103
  O     17.73259911      6.57116225    -15.83947840
  H     14.88999721     11.17959657    -13.88984083
  H     13.89270190     12.05636673    -17.14412351
  O     16.22863338      7.51434988    -13.66571609
  H     13.71340586     13.87012007    -12.26872448
  H     12.66088133     12.40626610    -16.26395420
  O     19.14728557      9.09693063    -15.83266869
  H     12.55059957     14.85070535    -11.99162326
  H     17.96851708      9.97182822    -12.57074287
  O     17.82277570      9.96364591    -10.77252017
  H     14.61283404      9.30430978    -10.89605033
  H     17.23292914      9.09911183    -13.61704498
  O     15.64471994     11.22929886    -16.98795632
  H     14.11604116     10.36431743    -11.91425596
  H     15.83309951     13.22125920    -13.08325896
  O     10.17658623     10.75760113    -13.35589944
  H     12.24556479     13.11271134    -13.80723491
  H     15.73916154     13.16612112    -11.53852622
  O     15.95619258     12.01105646    -10.04032936
  H     11.29887723     11.95868373    -14.24166046
  H     13.33747518      9.06317330    -17.49263664
  O     12.93474670     12.16928599    -17.16108476
  H     17.13947989      8.57857415    -18.19442014
  H     14.08712701      8.49892222    -16.26690347
  O     17.80205336      9.87379136    -13.51874885
  H     15.74030677      8.04434023    -17.83279272
  H     12.01623308     12.35880804    -11.42487848
  O     15.42274703     13.64223702    -12.31597476
  H     17.31839412      6.93207958    -16.64438971
  H     12.43093941     10.95190821    -10.94743239
  O     14.21088561      8.80404106    -17.17628265
  H     18.08127016      5.71453892    -16.07134795
  H     18.75921249     10.60941593    -18.60822513
  O     11.66657150     11.48915709    -11.19080614
  H     15.32315020      7.62778437    -13.99263651
  H     18.52214733      9.91192732    -17.24790788
  O     18.07593822     10.27123293    -18.03595398
  H     16.74167276      7.09325919    -14.36692743
  H     12.76082138      8.12295234    -14.66661628
  O     13.71605063      8.17138272    -14.51794079
  H     18.84414344      8.18143031    -15.82408540
  H     13.87598278      9.07436995    -14.20059034
          69
 Energy    -249.92002550333393     
  O     13.39258712      4.71150541    -16.31466659
  H     12.53335253      4.46410936    -16.64812861
  H     19.76352254      6.36299103    -16.96568641
  O     18.17778567      6.19027980    -12.06725875
  H     13.47194211      5.67461211    -16.42953501
  H     17.29504782      8.11303932    -16.45321890
  O     19.24471262      7.07005257    -18.65070552
  H     18.91142592      6.55372495    -12.57506180
  H     18.30090092      8.29350821    -17.62397690
  O     16.76213067      6.29164422    -19.36682877
  H     17.45080433      6.82229232    -12.19361238
  H     16.35554200      7.30297937    -14.43693725
  O     14.05035824      6.01208096     -9.77243755
  H     19.81220275      7.11101905    -19.41520428
  H     15.49784401      7.06633801    -15.71317905
  O     14.18459953      4.58761275    -13.61340281
  H     18.38982676      6.71284711    -18.95510003
  H     13.38098443      8.42548210    -13.62092723
  O     16.15851729      7.87201427    -12.66263792
  H     16.14238711      7.01383227    -19.22683086
  H     14.25848055      9.59039294    -14.14093241
  O     17.56450430      4.51436584    -15.68952671
  H     16.39764190      5.52061537    -18.90540859
  H     15.27803989      2.77283057    -10.79625603
  O     13.68700347      3.46705154    -11.07157717
  H     15.00409734      5.81495522     -9.76327790
  H     16.27828692      1.67894090    -10.34668875
  O     18.35448544      9.82957177    -14.59957431
  H     13.81867086      6.28234064     -8.88788874
  H     13.63306952      8.02951731    -15.81323612
  O     15.80020760      4.21197174    -17.83719109
  H     13.93589749      4.51942633    -14.54265199
  H     14.21919567      7.86777075    -17.26171676
  O     19.85622092      6.04734883    -16.05957069
  H     15.12764104      4.38769208    -13.53628401
  H     20.89434491      7.71425945    -13.61506765
  O     17.65210201      8.76122210    -17.08244548
  H     15.25511059      7.57001518    -12.49813133
  H     19.95541568      7.02389575    -14.62714022
  O     16.39112725      6.99984484    -15.35212576
  H     16.11814481      8.82140484    -12.83023395
  H     17.37904458      4.68916763    -12.74590647
  O     13.50493306      9.03180260    -14.36385595
  H     17.16013596      5.39437940    -15.61961216
  H     16.75027840      3.33271670    -12.33520315
  O     16.22440191      2.56008057    -10.70551855
  H     17.41082044      4.09275211    -14.83465896
  H     16.63865863      4.30788949    -10.00660914
  O     13.85302701      7.38874801    -16.50789920
  H     13.64803104      4.27996510    -10.55265449
  H     17.31725193      5.61564822    -10.45573244
  O     19.97389922      7.55725998    -13.81217211
  H     13.69996608      3.75087232    -11.99624233
  H     13.70509929      6.16067484    -12.85497380
  O     16.88201108      3.92865788    -13.08166089
  H     18.21438618      9.62660412    -15.53447231
  H     13.60201216      6.75098806    -11.42696419
  O     16.67369851      5.25700018     -9.83206121
  H     18.90056348      9.11287886    -14.25486031
  H     15.95457571     11.35442244    -13.17838599
  O     13.57210338      6.98576534    -12.36361509
  H     14.95697063      4.26818364    -17.37538000
  H     16.81453222     10.33365221    -13.95809229
  O     15.93500780     10.48335709    -13.56596589
  H     16.47182115      4.14830036    -17.14369818
  H     16.12888616      8.85237111    -18.04961009
  O     15.29788470      8.69365264    -18.52830018
  H     19.17303529      5.37149637    -15.94777751
  H     15.14493895      9.45980849    -19.07575371
          69
 Energy    -249.91976911488382     
  O     12.62470018      5.58683833    -16.13257292
  H     11.72320132      5.29690262    -16.24729480
  H     19.32619422      5.07651050    -17.28052109
  O     17.78229989      5.77255813    -12.06849452
  H     12.90324663      5.29250585    -15.24764897
  H     20.01463081      8.40073602    -15.91705295
  O     18.83375067      6.32786286    -18.40509806
  H     18.55713730      5.65841439    -12.63777678
  H     18.93483220      9.23504328    -16.65926239
  O     16.08082480      7.02140324    -19.10604331
  H     17.39749889      6.62994988    -12.30066623
  H     17.94985120      7.43386058    -15.89890085
  O     13.78210571      6.87691229    -10.09175286
  H     17.93253531      6.52642447    -18.68168372
  H     16.45101190      7.71685143    -16.10453177
  O     13.53272802      4.95533378    -13.65588156
  H     19.14708781      7.11712584    -17.93874796
  H     13.58315061      8.23758913    -14.64141277
  O     16.60531032      8.07450924    -13.04565270
  H     15.85002536      6.96955182    -20.03002979
  H     13.14910107      7.39677158    -15.85713644
  O     16.85780863      4.42044879    -15.83086456
  H     15.62796071      6.28076104    -18.66248213
  H     15.31531691      1.94237393    -10.76046094
  O     12.67301291      4.41290614    -11.11784971
  H     14.62569475      6.40076997     -9.98836630
  H     15.44489709      3.10161004    -11.77333794
  O     20.71056771      8.38088359    -14.20457108
  H     13.61762063      7.32369177     -9.26567349
  H     19.78811255      5.26978396    -14.80364184
  O     14.89302442      5.02723939    -17.74366319
  H     13.07195456      4.73093493    -12.83387660
  H     20.19688980      6.54915926    -14.03100756
  O     19.55340288      4.44416168    -16.57550793
  H     14.42759337      4.60004431    -13.57687358
  H     16.67275201      4.55439515    -12.80119953
  O     19.42620833      8.40354960    -16.68309499
  H     15.65151844      8.01987428    -12.90887070
  H     16.36050803      3.90693419    -14.17021278
  O     17.06981126      7.17099970    -15.60291724
  H     16.77503939      7.73348145    -13.93776928
  H     15.76210450      4.45683025    -10.07061867
  O     13.53482449      8.24483840    -15.60472887
  H     17.75688831      4.19776587    -16.10081092
  H     16.76711735      5.53209713    -10.52177578
  O     15.07757529      2.85417623    -10.90779173
  H     16.86648453      5.38228174    -15.69925433
  H     15.69566697      8.40560113    -17.91520179
  O     19.81694033      5.66807099    -13.92681588
  H     13.38743998      3.79214122    -10.92277592
  H     14.80539600      8.81504124    -16.67602203
  O     16.09011156      3.91833377    -13.24252525
  H     12.91037259      5.23794439    -10.67573263
  H     13.77303325      6.71971296    -13.15761557
  O     16.03755126      5.36726943     -9.90904722
  H     19.97960037      8.96182249    -13.92527485
  H     13.75870869      7.53496383    -11.85731098
  O     15.62586045      9.00349771    -17.15944777
  H     21.50439426      8.72470831    -13.80405013
  H     18.21359197     10.29261417    -14.51751146
  O     13.87283400      7.61846749    -12.81266762
  H     14.08067718      5.17853046    -17.24567582
  H     17.84862399      9.40274725    -13.31154765
  O     18.55666710      9.94678156    -13.68514812
  H     15.53294849      4.65712924    -17.12099748
  H     16.90270467     10.11811455    -16.65293308
  O     17.68916325     10.61503032    -16.36856971
  H     20.19820632      3.84568085    -16.94322432
  H     17.61169090     11.48755167    -16.74590857
          69
 Energy    -249.91962198511223     
  O     19.34195925      9.22661457    -13.05603246
  H     19.04388629     10.11991467    -13.26042594
  H     13.20853331      7.78222101    -11.19502672
  O     14.88629800      6.73927249    -17.05543911
  H     18.96321653      9.03544725    -12.18745446
  H     16.62454671      8.79105258    -12.32713697
  O     13.34936072      8.98233727    -12.51133813
  H     15.72812717      7.21066488    -17.06307352
  H     16.27170286      9.17587640    -13.80890705
  O     11.34778815      5.33181589    -11.97242871
  H     14.19394970      7.40501737    -16.97201099
  H     18.04162429      6.58288819    -14.29611027
  O     12.56757965      8.40032170    -16.45518200
  H     14.29618170      8.87456500    -12.69658640
  H     18.96667814      7.82958146    -14.19846106
  O     16.59324825     10.18121280    -15.33148060
  H     13.14848759      9.91522401    -12.64390113
  H     14.09268769     11.86737177    -12.72853013
  O     17.41341275      8.08549914    -16.97963712
  H     12.06100729      4.69475482    -12.16106153
  H     12.67283760     12.45671301    -12.90765399
  O     14.87573437      8.36798507     -8.76029159
  H     10.57882365      4.82232993    -11.73252732
  H     16.48605149     11.96645422    -12.48068128
  O     13.50944804      3.80147028    -12.54520784
  H     11.83426137      8.32166556    -17.06151083
  H     15.78503904     11.59074761    -11.14865730
  O     17.99919488     11.74515716    -13.63064860
  H     12.32349823      7.89939755    -15.66022711
  H     11.70224393      6.48764540    -13.44000908
  O     14.17433102      5.23427507    -14.88629523
  H     16.88845498      9.52584158    -15.97484107
  H     12.55132631      7.77613402    -13.54972443
  O     13.17863413      7.02998512    -10.58430008
  H     15.67898121     10.42773293    -15.54126326
  H     13.61678748     11.10767016    -14.88834707
  O     15.98439411      8.66740847    -13.03977631
  H     17.90604642      7.69505762    -16.23355304
  H     13.43496253     10.00496685    -15.96782116
  O     18.65228808      7.13650494    -14.79726763
  H     17.98706912      8.04403673    -17.73992728
  H     16.22564803     11.20614134     -8.72867250
  O     13.21387192     11.70047601    -13.11675164
  H     15.61293684      7.74520074     -8.73547187
  H     15.54388706      9.91642825     -9.23777517
  O     15.65172009     12.02505943    -12.00016129
  H     14.17666974      7.92340560     -9.25653149
  H     16.26205378      6.94165543    -13.34001001
  O     12.14645904      7.06574216    -14.07116518
  H     13.78782844      4.08313095    -13.42792982
  H     15.72141338      5.65197876    -14.00276015
  O     13.97639082     10.76279622    -15.71468341
  H     14.21357150      4.07278551    -11.94445646
  H     17.27814240      9.53315491    -10.33997700
  O     16.06282709     10.69200131     -9.51579925
  H     18.42145493     12.48452957    -14.06148437
  H     17.59726104      8.01874260    -10.28503277
  O     16.42360589      5.98969408    -13.43037784
  H     17.52563813     11.25180181    -14.32446958
  H     16.53019922      6.01883494     -9.79423779
  O     17.71294781      8.81534297    -10.81767399
  H     13.48313985      5.83881808    -14.58537652
  H     17.60252247      5.97869724     -8.68068381
  O     17.07134127      6.57209453     -9.20497707
  H     14.47484412      5.59366624    -15.73458966
  H     14.64747755      5.91639132    -10.86213542
  O     15.40455354      5.32141843    -10.96309279
  H     12.45711566      6.46733160    -10.88774865
  H     15.82570622      5.51930916    -11.81441296
          69
 Ord_Energy   -249.919586    
 O   -7.93210602       1.05600107       4.44967747    
 H   -7.45309496      0.357778013       4.91141939    
 H   -7.37287903       1.84700847       4.47978258    
 O   -10.0616407       2.70872879       3.54403996    
 H   -9.45060730       2.11193800       3.99357295    
 H   -10.3362780       2.24872375       2.74287462    
 O   -6.35010290      -1.08347213       5.38557100    
 H   -6.49654865      -1.76784122       6.03303576    
 H   -6.40070343      -1.50786173       4.50973797    
 O   -4.10473680       1.26141214      0.662079155    
 H   -3.73156619       1.96572590      0.119150348    
 H   -5.05080891       1.22691834      0.454004765    
 O   -5.51305485       6.14397383       1.82485580    
 H   -6.01886415       6.26650476       2.63964987    
 H   -5.98141861       6.57701826       1.10019982    
 O   -6.44424438      -2.00079012       2.82757425    
 H   -5.60237169      -1.77217841       2.41437292    
 H   -7.12622738      -1.47292387       2.39088368    
 O   -5.78142262       4.66213512      -1.64279103    
 H   -4.94058180       4.27381468      -1.37371004    
 H   -6.35435343       3.93392992      -1.91198862    
 O   -6.87998581       3.69057584       1.56138539    
 H   -6.90705919       3.46233964       2.49928713    
 H   -6.28816795       4.45051908       1.49509048    
 O   -3.28239584       3.57541585     -0.722566545    
 H   -2.48387909       3.73753405      -1.21832263    
 H   -3.17680335       4.02994013      0.133974016    
 O   -6.38421297       3.30914903       4.27906895    
 H   -6.46983624       4.25927544       4.41912937    
 H   -5.47945166       3.11150908       3.99330592    
 O   -8.33022022      -9.09901187E-02   1.94303608    
 H   -8.18675327      0.315759510       2.81136489    
 H   -9.18849373      0.225906298       1.63309658    
 O   -9.91323948       3.01715446     -0.789705575    
 H   -9.17655087       2.84450722      -1.38586342    
 H   -9.72995090       3.87860441     -0.389481872    
 O   -3.84033895       4.49079685E-02   4.53178740    
 H   -3.75297403     -0.468189120       3.71863890    
 H   -4.64259958     -0.281174511       4.95682049    
 O   -3.85309172      -1.17689800       1.91165459    
 H   -3.16704440      -1.71316051       1.52134240    
 H   -3.86503482     -0.339508891       1.41986728    
 O   -6.87260962       6.87443161     -0.533964932    
 H   -6.46961355       6.11056232     -0.987534583    
 H   -6.83324099       7.60867643      -1.14034057    
 O   -3.14953136       4.69931364       1.71949673    
 H   -3.28197575       4.02732754       2.40059400    
 H   -3.88927579       5.31814384       1.80045807    
 O   -9.39927769       5.38688803       3.33359194    
 H   -9.68793201       4.47549391       3.49294949    
 H   -9.44080257       5.51074362       2.37778735    
 O   -6.97259521       6.08910608       4.23521996    
 H   -7.88097382       5.87181187       3.95174527    
 H   -7.04802895       6.70164204       4.96144104    
 O   -8.95327663       5.26857471      0.546312630    
 H   -8.32551193       4.63926220      0.935748458    
 H   -8.40923786       5.93961811      0.118343003    
 O   -7.46679354       2.42350960      -2.21542144    
 H   -7.40931177       1.80829263      -2.94237804    
 H   -7.21751785       1.93428564      -1.41171336    
 O   -3.95145130       2.47248554       3.26152611    
 H   -4.05325651       2.10960889       2.37206936    
 H   -3.81691384       1.70650554       3.83940172    
 O   -10.6581068       1.23031485       1.11895835    
 H   -11.5605383      0.971547902      0.950618744    
 H   -10.4122267       1.85572052      0.415058196    
 O   -6.79249191       1.36243677      0.194121420    
 H   -6.83500004       2.22859073      0.633040965    
 H   -7.31309557      0.755645275      0.736192405    
          69
 Energy    -249.91896355998125     
  O     16.02433558      9.72939353    -15.90441313
  H     16.53895895     10.31326101    -16.48969077
  H     17.05740463     12.35086592    -17.00325089
  O     17.71606892     16.24781065    -15.73653394
  H     15.60104237      9.08415075    -16.46427117
  H     18.60232116     10.07841157     -8.70645575
  O     19.28336766     12.79861803    -10.27547151
  H     18.45333671     15.85460887    -16.23939434
  H     18.77325303     11.17934381     -9.77777911
  O     14.90675729     12.57632003    -11.86120166
  H     17.40885660     16.99758469    -16.23925700
  H     20.35845371     17.88570591    -11.01188005
  O     19.94067605      9.31459729    -11.95178683
  H     18.58995301     13.21939837    -10.80056220
  H     19.88633233     16.70826767    -11.89113260
  O     16.24697883     10.07821208    -11.39052200
  H     19.84092844     13.49548649     -9.90008079
  H     20.97547494     10.76932056    -11.99337188
  O     20.22505921     12.19174011    -17.23009128
  H     14.80466589     12.33043668    -12.79918277
  H     20.58235947     12.14218718    -11.42745986
  O     21.14042451     15.16581338    -14.45071399
  H     14.03303048     12.77200232    -11.53372505
  H     17.12099769      9.73245920    -12.88516759
  O     21.05444385     14.73684346     -9.55135698
  H     19.25697163      9.30403567    -12.63526830
  H     17.14653107      9.52446346    -14.43221823
  O     21.07383862     12.43002443    -14.61149812
  H     19.46921734      9.45244310    -11.12086114
  H     20.45236407     15.17078749    -16.16818710
  O     14.76904880     11.93631702    -14.48818173
  H     15.77649492     10.91942636    -11.41727860
  H     19.90354460     14.13002201    -17.16523835
  O     17.42640783     11.53997198    -17.38003326
  H     16.91233597     10.14577640    -10.69372559
  H     23.10599319     15.08969849    -12.01549699
  O     18.47394792     10.26559282     -9.63278620
  H     20.58626345     12.15571196    -16.32933991
  H     22.23736400     16.36607541    -12.01088001
  O     20.55747853     16.98205269    -11.24544356
  H     20.89971776     11.83741696    -17.80535061
  H     18.33477421     16.18801548    -13.96277492
  O     21.26910608     11.69111573    -11.93800766
  H     20.33155214     15.40471781    -13.97985028
  H     18.23537114     15.30765802    -12.68420602
  O     17.70493332      9.66542029    -13.65867404
  H     21.87888388     15.45232750    -13.89513788
  H     23.96799885     13.02795630    -10.71364362
  O     19.84003787     15.05671965    -16.90986922
  H     20.87531948     15.55031010    -10.03948149
  H     22.59596192     12.77340714    -11.37312693
  O     22.91697562     15.89681375    -12.51125585
  H     21.86653199     14.37269843     -9.92550887
  H     19.28635246     12.36505370    -14.25293153
  O     18.76675081     15.98788441    -13.12259616
  H     21.18850894     13.39175687    -14.56897007
  H     18.12451186     11.38454107    -13.91282637
  O     23.17740303     13.46625179    -11.01926515
  H     21.25187872     12.09031933    -13.72472247
  H     16.83906938     14.56984077    -15.74387614
  O     18.34746256     12.31731931    -14.04170257
  H     15.05430406     11.11018816    -14.89391368
  H     17.23328433     13.18825397    -15.16013984
  O     16.58737811     13.64128459    -15.72636778
  H     15.24165280     12.63236617    -14.96648277
  H     16.49595980     13.54710749    -11.86582080
  O     17.40105399     13.84643752    -12.01328026
  H     18.38195474     11.66911562    -17.37849239
  H     17.75622622     13.28309249    -12.72103803
          69
 Energy    -249.91869816919382     
  O     11.61368500     10.33292631    -10.90603760
  H     11.23869706     11.20917798    -10.87170756
  H     13.79163705      3.36632377    -11.29984728
  O     10.67556712      4.38002395    -10.10693986
  H     11.67127609     10.08942866    -11.84828963
  H     15.69064563      6.42927148    -13.95212771
  O     17.13652548      6.01840984    -12.94956890
  H     10.13952390      4.85867578    -10.75079587
  H     14.79726243      7.68625514    -14.11251260
  O     13.97374743      5.38382080    -16.54289374
  H     11.39958455      3.96128972    -10.59107778
  H     13.68411057      6.25494697    -13.10820036
  O     15.57204005      3.43155934    -10.97008930
  H     17.21892193      5.08754902    -13.19253428
  H     12.17212749      6.45444734    -12.86145682
  O     17.07416716      8.81371883    -10.34529014
  H     16.85288216      6.04079100    -12.02228093
  H     10.61702580      7.58271556     -9.33339666
  O     11.50672030      6.22425054     -8.31239976
  H     14.20535038      5.82269888    -17.35709724
  H     10.65279560      8.83709320    -10.25057731
  O     14.84680093      9.29384056    -13.33449430
  H     14.30419158      5.94128690    -15.81677818
  H     13.01876763      6.61610386     -9.27465274
  O     11.41208937      4.84753354    -15.40062674
  H     16.07015781      3.28970091    -11.78395719
  H     13.38063546      6.59806732    -10.79310595
  O     14.78131215      3.07231390    -15.10298022
  H     15.91951241      4.24805563    -10.59092103
  H     17.56156443      2.59224658    -13.72578107
  O     12.22386368      2.44138235    -14.03135615
  H     17.38137918      8.93953576    -11.25035880
  H     16.18255051      3.18826087    -14.09493375
  O     12.89378662      3.52438637    -11.62438230
  H     16.18630862      9.19452973    -10.31872522
  H     16.76065098      6.99549196    -10.17382710
  O     14.89250174      6.76230766    -14.38447721
  H     11.38690225      5.94288361     -7.40989172
  H     15.40997774      6.27627595    -10.08838049
  O     12.98574374      6.13000834    -12.45471032
  H     11.19071180      5.49856196     -8.88165093
  H     17.58939716      7.77618821    -13.16583998
  O     10.13211997      8.05924290    -10.01818870
  H     14.63764023      9.34571321    -12.38967056
  H     18.47454181      8.95560450    -13.62444599
  O     13.70836771      6.83387170     -9.91156743
  H     15.81055753      9.30629005    -13.38802387
  H      9.42865770      6.92244524    -11.11256075
  O     16.95238932      3.29248807    -13.50733696
  H     12.21384106      5.03450693    -15.90457899
  H      8.16997036      6.20143113    -11.65371589
  O     16.34351191      6.13117382    -10.30092405
  H     11.57768564      4.00814475    -14.95522973
  H     13.42909026      9.89042862    -10.58742485
  O     17.65104605      8.74533548    -13.19088697
  H     13.93688294      2.75343486    -14.76142475
  H     14.10395575      8.54099908    -10.28379946
  O      9.12178135      6.21816057    -11.71357643
  H     14.56249509      3.79046775    -15.70901375
  H     12.88727795      9.47704211    -13.65018633
  O     14.28232571      9.44076891    -10.59687685
  H     11.75062096      1.61815878    -13.94262133
  H     11.53241766      8.70742864    -13.71200365
  O     11.94265007      9.55061770    -13.47495847
  H     12.42783609      2.74663018    -13.13069683
  H     10.09274076      6.73751274    -13.20011488
  O     10.76955513      7.00548920    -13.83539858
  H     12.89131353      4.43676024    -11.95326280
  H     10.89822789      6.27232289    -14.45745918
          69
 Energy    -249.91739806575549     
  O     12.30882256      9.64428736    -10.79361750
  H     11.54657952     10.22046729    -10.92269870
  H     14.40845686      8.08675236    -12.71066428
  O     12.62224886      8.12730621    -13.06874233
  H     12.42127754      9.11806995    -11.59702895
  H     13.93604828     14.93822668     -9.53728183
  O      8.85270664      9.08645890    -11.86483773
  H     12.51733375      8.82529849    -13.73436648
  H     14.16500122     15.60902944     -8.16229071
  O     14.60878254     10.81704789     -9.97610069
  H     11.82414686      7.58691250    -13.03897296
  H     10.30020933     12.14000219     -9.79596582
  O     15.44986134      8.12950789     -9.59942278
  H      8.64359381      8.84297305    -10.95311379
  H     11.35340695     12.38852357     -8.67191395
  O     11.56321737     15.26721070    -12.32461079
  H      9.28958446      8.31388278    -12.24052430
  H     12.71247928      8.55558922     -7.88176268
  O      8.51484926      8.26919636     -9.14118943
  H     13.77564121     10.45960567    -10.32956248
  H     12.53949147      8.56370728     -9.41617152
  O     12.01820049     12.60443681    -13.12703403
  H     15.14647713     10.04381139     -9.77615109
  H     12.66575875     10.05998672     -5.71620775
  O     14.21015582     14.94562481    -11.25384700
  H     16.04414879      7.54567736     -9.13475660
  H     12.71060370     10.79574787     -7.07261670
  O     10.64378033      6.53458654     -9.82626011
  H     14.56320439      7.96948271     -9.23642968
  H     14.77099623     11.87810893    -11.43621033
  O     10.98979485     15.14051132     -9.66700530
  H     11.27270084     15.23654460    -11.39551785
  H     15.08200822     11.83185193    -12.95127747
  O     15.32775371      8.31320897    -12.50320873
  H     11.12399944     16.01289837    -12.72460247
  H      9.68318444     10.65717311    -11.69969731
  O     13.66806031     14.92323827     -8.60019325
  H      8.93175742      8.94200562     -8.57443658
  H     10.74798510     11.76742688    -12.10026289
  O     10.42204118     12.50286540     -8.90336198
  H      7.67383514      8.06181732     -8.74212678
  H      9.79813257     11.00810968     -7.99713724
  O     12.82571426      8.01062243     -8.66965721
  H     12.92291007     12.50171358    -12.79883369
  H     10.57418054      9.97509435     -7.17030736
  O     12.44026833      9.96919938     -6.63899073
  H     11.78732722     13.53045160    -12.97982941
  H     12.34530735     11.13323235    -14.30700446
  O     14.69961571     12.38389182    -12.25768302
  H     13.38998489     15.16836007    -11.71095425
  H     13.66872100     10.42770594    -14.65808782
  O     10.24137759     11.37939031    -11.37465308
  H     14.51430958     14.11685526    -11.64815107
  H     16.26397396     10.36746846    -14.74104355
  O      9.72617903     10.12943111     -7.59959126
  H      9.89936240      7.07005840     -9.51841327
  H     15.54787997      9.70160633    -13.54202949
  O     12.70914460     10.32586035    -14.69195392
  H     11.41627241      6.85368953     -9.34642200
  H     10.46607412      6.55508278    -11.57119055
  O     15.54786051     10.48394778    -14.12265882
  H     11.83435312     15.20842433     -9.20640410
  H      9.93282750      5.86656155    -12.85086152
  O     10.31121713      6.67875545    -12.52517222
  H     10.60780864     14.30216728     -9.37372129
  H     13.35519023     13.15746716     -8.14941518
  O     13.15220019     12.21479716     -8.09492150
  H     15.42724563      8.19606156    -11.55318540
  H     13.73262155     11.76954809     -8.72948673
          69
 Energy    -249.91723330312291     
  O     17.98119939     10.50501024    -15.08459237
  H     17.19176813     10.78475442    -14.59565740
  H     18.98584955     11.93707928    -17.66849328
  O     19.05199135     16.42128635    -16.60635719
  H     17.90340861     10.79845492    -16.00380000
  H     17.94036143     11.07977032    -11.12717650
  O     22.05003764     10.93514547    -15.31467516
  H     19.92299989     16.12477216    -16.89535787
  H     16.66938760     10.90505825    -10.26219623
  O     18.38229433     13.96610408    -10.51200618
  H     19.17027119     16.75322904    -15.70679047
  H     20.18493798     18.96429376    -11.03393401
  O     15.40686862     14.30912524    -14.46094027
  H     21.49261833     10.25605413    -14.91673783
  H     20.09262029     17.44796637    -10.73807259
  O     19.53595900     10.54445117    -11.52449188
  H     22.10605703     11.63483814    -14.64793786
  H     21.57984597     13.49578388    -10.39168155
  O     16.02814923     11.62436336    -13.55802784
  H     17.86505142     13.15256683    -10.47197703
  H     20.08312577     13.28333324    -10.72384317
  O     20.71088988     12.67163499    -16.95484888
  H     18.13535443     14.38554159    -11.34950185
  H     22.19837191     15.39251521    -17.93814697
  O     21.92479044     15.65984804    -14.38717779
  H     15.97608478     14.33312119    -15.24974390
  H     21.37361584     14.31638875    -17.19660704
  O     19.90313680     16.15683892     -9.57467061
  H     14.57017511     14.69134455    -14.71210632
  H     22.01087470     17.24862400    -11.73283069
  O     21.64876837     13.04893796    -13.51548890
  H     19.84860962     10.09168074    -12.31599010
  H     22.64900943     16.30176734    -12.76460331
  O     18.04462692     11.75669009    -17.55505224
  H     20.19918401     11.20265573    -11.28252574
  H     18.83343406     16.25056113    -13.52314531
  O     17.08458191     11.48570919    -10.89508639
  H     15.70902540     12.50374496    -13.78811712
  H     19.72152527     17.42798542    -13.05167090
  O     20.30964301     18.10373753    -11.42499127
  H     16.30394019     11.65312611    -12.63318346
  H     22.67674249     15.52185946    -10.49608092
  O     20.96659968     12.90924783    -10.85208195
  H     20.08653085     12.87838261    -16.24815272
  H     23.27978326     15.00960928     -9.16556530
  O     21.64423945     15.24957138    -17.17490403
  H     21.28535456     11.99020493    -16.57269387
  H     19.32960428      9.59975303    -14.42495838
  O     22.73079931     16.61713121    -11.85560008
  H     21.07371892     16.08372494    -14.20009119
  H     20.08262646      8.29132399    -14.09087156
  O     19.49016167     16.89471017    -13.82260055
  H     21.98286428     15.57682550    -15.34629251
  H     20.00487666     12.95629828    -14.16659277
  O     22.51128375     14.94821962     -9.72613628
  H     20.76854839     15.74535824     -9.45851161
  H     18.76062433     12.10015307    -14.61148711
  O     20.12858893      9.24024032    -14.00075691
  H     19.28604970     15.43574786     -9.75409283
  H     17.83916833     15.09147929    -16.59238667
  O     19.11958247     12.99614430    -14.55639930
  H     21.49774487     13.01657560    -12.56153561
  H     17.94474022     13.80807188    -15.75942040
  O     17.36545393     14.27352675    -16.37890560
  H     21.84791122     13.96206430    -13.76396659
  H     16.86062614     14.82256176    -13.38298431
  O     17.75825030     14.86664738    -13.03201175
  H     17.63626953     12.61949831    -17.40855298
  H     18.25833298     14.17321607    -13.48891989
          69
 Energy    -249.91705142722319     
  O     13.36228213     14.36950146    -11.84107260
  H     13.52413865     14.51233724    -12.78893536
  H     12.29804116     12.11982643    -14.95951506
  O     13.88178481     11.23906996    -17.54380662
  H     12.75499000     15.05340255    -11.56794161
  H     13.03260917     12.64144626    -16.89868286
  O     14.88825174      8.51530001    -12.38008930
  H     13.38247557     10.46592417    -17.25334909
  H     11.88459532     13.66128137    -17.07180805
  O     18.11146304     14.57151997    -12.33742275
  H     14.77535163     11.09709255    -17.20426014
  H     18.65783727     12.78293026    -12.73774981
  O     12.67738333      9.16427985    -15.96222330
  H     14.68284804      7.59145512    -12.18982566
  H     18.14840846     11.32993734    -12.61960202
  O     13.95386451      5.86777993    -12.18791831
  H     14.06472028      9.01034164    -12.25828204
  H     12.86683095     11.13625762    -10.92388359
  O     13.93128425      5.72807554    -14.90067833
  H     18.64067528     15.29030758    -12.00369406
  H     13.16384790     12.66194929    -10.97661538
  O     15.19568197     11.83239425    -13.77852720
  H     17.36376667     14.46164246    -11.72131760
  H     15.80954660     11.01174089    -15.27712926
  O     12.42459217      9.80926685    -12.09214339
  H     13.54803258      8.80774372    -15.73011603
  H     17.08180221     11.09245835    -16.13627345
  O     15.18259482      8.23986106    -15.16807140
  H     12.53587316      9.92795122    -15.38595376
  H     11.71886303      7.69946058    -15.68831760
  O     18.49866964     12.25543721    -15.76305938
  H     14.17207045      5.04251131    -11.76411462
  H     10.63763110      6.65240735    -16.04337778
  O     12.52498089     11.43154161    -14.32491032
  H     13.98146639      5.70826396    -13.14862660
  H     14.76987253     11.71152403     -9.71279094
  O     12.50729646     13.31827421    -16.43637793
  H     13.03172905      5.95786242    -15.16573779
  H     15.69998291     11.45643796     -8.49828451
  O     18.77467130     11.89302180    -13.09397457
  H     14.47977871      6.48782182    -15.14122986
  H     17.13685482     14.39899373    -13.89911900
  O     13.22852883     11.87710496    -10.41904541
  H     15.60262993     12.68196366    -13.99000824
  H     17.21500993     13.59963802    -15.21624267
  O     16.22610324     10.65261853    -16.07552492
  H     15.68472912     11.45102097    -13.03819747
  H     16.41968372     10.89212149    -10.92266629
  O     11.33888644      6.84329088    -15.42609770
  H     12.28352177     10.36433579    -12.87137389
  H     16.16796136      9.73185555    -11.92927596
  O     15.70167745     11.68967016     -9.42198998
  H     11.95169681      8.97485751    -12.22514214
  H     14.85316549     14.74857391    -14.66949633
  O     16.61974244     14.12697953    -14.67005191
  H     15.16126437      8.38319728    -14.21103973
  H     13.44325560     14.38639691    -15.19307508
  O     16.67425951     10.54425606    -11.78737764
  H     15.70525758      8.95283454    -15.55731419
  H     11.30402394      7.10087208    -13.52516003
  O     13.91015042     14.83139834    -14.47547464
  H     19.35055413     12.34357796    -16.18106274
  H     12.20955671      6.73178265    -12.33816861
  O     11.46191315      7.28685308    -12.59142147
  H     18.66419961     12.05606986    -14.82284848
  H     15.09765748     14.29870035    -11.10745487
  O     15.98869043     14.17792191    -10.75644652
  H     13.45080301     11.59505400    -14.08162562
  H     15.95913302     13.38325932    -10.21005711
          69
 Energy    -249.91704958939738     
  O     -7.78829980     -2.33915877      6.26827482
  H     -8.35378660     -1.58014342      6.47535712
  H     -8.15609247     -0.56312972      3.30171527
  O     -9.75680541     -1.37091670      2.79814930
  H     -6.87936076     -2.07655733      6.44654243
  H     -4.43058863     -1.78558852      7.23907270
  O     -8.51219589     -3.58823529      4.01928084
  H    -10.27539010     -0.78062131      3.36108676
  H     -4.63609006     -1.56931265      5.71975352
  O     -5.20257985      0.24456426      0.14293800
  H     -9.52330870     -2.17116508      3.28574869
  H     -0.87128007      2.70177275      1.41613683
  O     -6.23228765      0.89462425      5.72927102
  H     -8.24767121     -3.17356784      4.86255975
  H     -2.21631560      3.25629408      1.94565024
  O     -5.25358294      4.92587746      0.73601825
  H     -8.82401303     -4.46393118      4.22951697
  H     -8.85431898      2.80641968      5.13303354
  O     -9.46006594     -0.14469054      6.65726002
  H     -5.50561696     -0.64563872     -0.06382104
  H     -8.52176689      3.19973275      3.67307993
  O     -4.05244885     -1.68312193      4.10276190
  H     -5.98347463      0.72405865      0.46315478
  H    -10.30342560      1.42743103      4.19920543
  O     -4.00526522      2.76371002     -0.38013833
  H     -6.66640224      0.51520241      4.94854448
  H    -11.78659418      1.00856947      4.31106126
  O     -6.55994928     -2.26532284     -0.11583418
  H     -5.77002809      0.16743178      6.16344938
  H     -6.94652442     -3.15690466      3.01791431
  O     -3.56637102      0.51466350      2.38596068
  H     -4.86403368      4.15847731      0.28025420
  H     -6.28629480     -2.68864139      1.67884078
  O     -7.24437639     -0.26860130      3.42628652
  H     -5.32734985      5.61941241      0.08575026
  H     -9.27440903     -1.07892939      1.04354203
  O     -5.05048956     -1.45519037      6.59522464
  H     -9.08706111      0.71068154      6.89950765
  H     -8.48976867      0.07128034      0.39378726
  O     -1.80640325      2.52187210      1.45403397
  H    -10.04760403      0.04392090      5.91584642
  H     -7.40328927      1.91360852      6.51966772
  O     -9.18600054      2.77311984      4.22630301
  H     -4.66804864     -2.20149708      3.56635864
  H     -7.82710531      2.98200431      7.55704857
  O    -10.89756082      0.66326588      4.31119416
  H     -3.77751979     -0.93773746      3.55377609
  H     -3.88139627      4.78392757      2.11507871
  O     -6.15924009     -2.74945216      2.63445289
  H     -3.17274089      2.67169176      0.09973392
  H     -3.76530941      3.85615152      3.33459353
  O     -8.82025076     -0.82170667      0.22867421
  H     -4.40008530      1.88275491     -0.38546574
  H     -5.24831376      2.01157296      4.68704779
  O     -8.16000067      2.42392664      6.85949819
  H     -6.61333991     -2.83390751     -0.87916369
  H     -4.44607725      1.78125574      3.38955841
  O     -3.24802363      4.43044389      2.75158450
  H     -7.41102284     -1.79359990     -0.05471370
  H     -7.34996652      0.84766431      2.02482530
  O     -4.85331336      2.46899980      3.93474920
  H     -2.83619746      1.07796714      2.10019100
  H     -7.36776123      2.31334395      1.56570384
  O     -7.42368101      1.40918809      1.23753000
  H     -4.11212785      0.35263682      1.60324674
  H     -6.27433010      3.31336255      3.14235845
  O     -6.97954387      3.75865722      2.64848894
  H     -6.69558276     -1.03047060      3.20050729
  H     -6.52675418      4.30526432      1.99419605
          69
 Energy    -249.91697989999051     
  O     11.73973605     11.14529902    -12.04443446
  H     11.06436421     10.66901651    -12.54400277
  H     11.52667410      9.62584575     -9.29737603
  O     15.15145312     10.06327605    -16.78292725
  H     11.86445766     10.66167454    -11.21410921
  H     16.43379242      6.59743015    -10.58578496
  O     11.34295560     10.30752469    -15.85640458
  H     14.69423848     10.79682564    -16.34912643
  H     15.94326355      7.14345277    -11.94776803
  O      8.24932640      8.80949326    -11.33250416
  H     14.45163394      9.46795748    -17.07505743
  H     11.66458579      6.46407971     -9.56572784
  O     13.65576155     13.05616459    -11.34180167
  H     11.98636220     10.98181313    -15.60117246
  H     11.07216462      5.54761275     -8.47137773
  O     17.22094173      9.35943458    -15.17403883
  H     10.82935264     10.08190684    -15.07181370
  H     14.16698661     12.18624241     -9.94410545
  O     15.29042311     13.55251755    -13.62444345
  H      8.50872426      7.87264539    -11.40131040
  H     14.75135072     12.12135979     -8.51115415
  O     15.80612617      9.99650768    -11.15296937
  H      7.29567481      8.83043837    -11.32390614
  H     12.21793205      9.12561077    -16.78436324
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  H     12.90276206     12.55586666    -11.68646633
  H     12.35656642      8.15846267    -17.98506456
  O     13.86938887      9.81214140    -13.21853359
  H     14.19666410     13.29841845    -12.10245044
  H     13.95072328      7.10601529    -10.67188863
  O     13.58290665      7.48967693    -14.70231515
  H     18.00219575      9.27381332    -15.71496084
  H     12.84103541      8.12451092    -10.27565240
  O     12.37045794      9.73851931     -9.76119843
  H     16.49059863      9.58279849    -15.77831442
  H      9.68405927      6.10287120    -10.64501091
  O     15.78997883      7.17640819    -10.98489319
  H     15.93591093     12.83149508    -13.50795980
  H      9.97348549      6.39906249    -12.12482395
  O     10.84173201      6.21554704     -9.11206318
  H     15.78969011     14.33881061    -13.82736565
  H     12.04582392      7.09769726    -12.10616872
  O     14.41556844     11.58054285     -9.22020610
  H     15.38549758     10.45462674    -10.41546165
  H     12.18486746      7.03689799    -13.64037883
  O     12.80956757      8.47792615    -17.21006184
  H     15.85536798      9.05615851    -10.94176194
  H     15.28039372      7.11109535    -14.08263926
  O     13.00265504      7.20088814    -10.52677148
  H     13.81837429     11.07192091    -14.50819540
  H     16.59507266      7.90683242    -14.12574413
  O      9.25269436      6.28639838    -11.48870475
  H     14.12630146     12.55388222    -14.75837288
  H      9.34762867      9.33134984    -12.80498573
  O     11.53468344      7.05114209    -12.92559096
  H     13.10486375     10.24450175    -12.81361522
  H     10.60935718      8.60147390    -13.30420499
  O     16.14148061      7.19993148    -13.65073258
  H     14.58937426      9.87214165    -12.57995089
  H     10.10529287      8.00596778     -8.86509457
  O     10.09045748      9.41192301    -13.41571915
  H     13.34672510      7.71410401    -15.61010450
  H      9.30167192      9.02343718     -9.69430568
  O      9.90146183      8.94687444     -8.94182880
  H     13.68490949      8.32684867    -14.21919837
  H     17.10322022     10.76880526    -13.91715278
  O     16.95954860     11.44792847    -13.24695620
  H     12.94216509     10.37269091     -9.31515816
  H     16.69700007     10.97666428    -12.44470303
          69
 Energy    -249.91561213007438     
  O     13.46756230      2.65651768    -13.72443557
  H     13.42998339      2.32572804    -14.63042767
  H     18.08547624      6.41870819    -19.17180328
  O     20.41321952      7.53453236    -16.49304365
  H     14.38017627      2.51463128    -13.43369429
  H     16.73031205      3.19105051    -12.83706989
  O     13.20482301      5.92057716    -18.87873613
  H     19.92272105      8.14829078    -15.93332020
  H     16.15288234      3.06500476    -14.26555458
  O     20.07324548      2.99300043    -13.52173731
  H     20.32403646      6.66880164    -16.07084865
  H     16.00989977      4.61172186    -19.64056937
  O     17.39133623      9.19092119    -17.49280101
  H     12.85300352      5.51649747    -18.06456833
  H     14.48004581      4.64708864    -19.47897891
  O     15.29216978      6.44295439    -15.08815129
  H     12.45612074      6.23992520    -19.37488700
  H     19.98650601      4.42388225    -14.67617726
  O     18.36442941      3.90819275    -17.33720907
  H     20.76928850      2.49658209    -13.09995685
  H     19.29934252      4.66525723    -16.04552495
  O     13.82834788      2.33942458    -16.54551790
  H     19.50584881      2.34729821    -13.97908820
  H     18.43711594      6.09357798    -14.43249665
  O     18.32009302      1.30222638    -14.75666864
  H     18.04272787      8.82814883    -18.10480081
  H     18.03324135      7.56017277    -14.17785010
  O     18.53380394      9.15126029    -15.02383246
  H     16.60079872      8.64422940    -17.59817601
  H     13.16685809      4.37960158    -13.73906892
  O     15.98817755      3.88689315    -15.86779388
  H     16.09592990      6.53666376    -14.55657935
  H     12.43360738      5.61667334    -13.17348318
  O     17.34901003      5.80664354    -19.04822148
  H     14.55506001      6.16459192    -14.52981861
  H     12.47489685      5.03477945    -15.71387117
  O     16.22943669      2.60058908    -13.41787918
  H     18.04172891      4.50019468    -18.03180179
  H     12.74582031      3.83486559    -16.64214191
  O     15.21744706      4.06327082    -19.69598369
  H     18.23319975      2.99084318    -17.60437547
  H     18.13597800      0.48119214    -18.08621006
  O     19.72251142      5.11299624    -15.29763839
  H     14.58950395      2.89549931    -16.30815414
  H     16.79761477      1.24701937    -18.06411325
  O     17.80410475      6.64908556    -13.95389806
  H     14.10807911      1.86740768    -17.33478398
  H     15.30527246      7.02596316    -16.76485197
  O     13.02976938      5.33591534    -13.86257811
  H     18.04989370      1.23082415    -15.67669294
  H     14.58865673      6.92128470    -18.14084387
  O     12.36818897      4.72559382    -16.61974032
  H     17.53473143      1.57108259    -14.25758131
  H     18.72327477      3.98173802    -12.49651104
  O     17.67930873      1.20484126    -17.66215873
  H     18.61967641     10.03853643    -14.68574773
  H     17.85348395      5.25091966    -12.60727981
  O     15.38119487      7.25438318    -17.70356615
  H     18.06818755      9.22020762    -15.87660777
  H     19.82000302      7.62820993    -18.12804309
  O     17.91717872      4.39587972    -12.16385409
  H     16.82289727      3.91472981    -16.34857905
  H     20.04453518      8.07203216    -19.59276606
  O     19.38502441      7.73300893    -18.99375766
  H     15.73460254      4.79599856    -15.66245089
  H     14.81176018      0.96850564    -19.62445209
  O     15.20188438      1.47934205    -18.91999350
  H     16.67431578      6.29656919    -18.55419151
  H     15.20502050      2.40812485    -19.21808119
          69
 Energy    -249.91522344647734     
  O     11.85222590     10.60263056    -15.10078354
  H     12.40760875     11.38979008    -15.07252187
  H     15.75619733      5.94718724    -14.97139894
  O     15.79434458      6.84133072    -13.31724307
  H     12.29976396      9.98652786    -15.69786908
  H     19.05040720      8.08945274    -12.46646869
  O     16.68249545     10.53236595    -11.12969169
  H     15.63287708      7.65601953    -13.82134675
  H     20.58969058      8.02368047    -12.54199699
  O     17.62350746     10.61028692    -15.39885741
  H     15.05044575      6.74459229    -12.70817053
  H     15.41854619     11.04953836    -17.50906789
  O     12.76849902      6.13125308    -16.06823644
  H     16.19741080     10.33434676    -10.31622629
  H     16.36569503     11.50880852    -16.39334575
  O     14.97493013      9.60988552     -9.15854617
  H     16.01991492     10.86048428    -11.75461314
  H     16.11063958      9.62108892    -14.99710459
  O     13.78904520      6.87480562    -11.38096924
  H     18.22415332      9.92359264    -15.70932650
  H     14.67878567      9.06714709    -15.32944936
  O     14.62983633     11.12977602    -12.88453718
  H     17.98163022     10.91671181    -14.55256299
  H      9.89695982      9.46173982    -12.92839795
  O     17.01175184      7.63072854    -17.34520114
  H     12.15141472      5.50923236    -16.44414981
  H     11.16805784      9.77565425    -13.75375628
  O     15.91988277      6.88137006     -9.48254541
  H     12.47723772      6.29487361    -15.15278550
  H     11.50707838      7.53368122    -13.39549863
  O     19.34347697      8.38571955    -15.80404782
  H     15.21979773      8.68039958     -9.08281817
  H     12.53744016      6.57493851    -12.77295397
  O     15.60358058      5.74229560    -15.90336466
  H     14.18016008      9.62958048     -9.70846559
  H     18.13872278     11.00184326    -12.21176749
  O     19.81576916      8.30156132    -13.02644200
  H     14.39371482      6.71760926    -10.64700996
  H     19.27816805     10.22977703    -12.90441868
  O     15.55627603     11.75279725    -16.86473496
  H     13.53438566      7.80880349    -11.32600979
  H     17.24672718      8.82617564    -11.41600214
  O     15.33995160      9.16610034    -14.63261845
  H     14.33402463     11.83428954    -13.47081568
  H     16.98231354      7.48916154    -12.19298568
  O     10.82553907      9.25894394    -13.00144979
  H     14.84169072     10.38403563    -13.46851177
  H     15.96776990      8.76157221    -18.11508155
  O     11.97433338      6.70252757    -13.54619621
  H     17.82295124      7.77853068    -16.85038620
  H     15.39628074      9.30953291    -19.44464684
  O     18.77550702     11.05085344    -12.93808933
  H     16.53814838      6.91955075    -16.88679871
  H     12.16908281      9.48215571    -11.71723799
  O     17.54737712      7.91118233    -11.52589512
  H     16.35146522      6.27968389     -8.88091902
  H     13.54792985     10.16464759    -11.78037107
  O     15.31733119      9.37964138    -18.49743659
  H     16.59397358      7.17406037    -10.11629600
  H     13.65494001     13.65856528    -15.21091003
  O     13.01310876      9.55306403    -11.25404497
  H     19.50390354      8.28670199    -14.85328507
  H     14.39225678     12.40324134    -15.72715779
  O     13.77273766     12.72650982    -15.04871177
  H     20.19972089      8.35870744    -16.22638436
  H     13.15525597      7.87134659    -16.53251153
  O     13.36780522      8.81184665    -16.59346384
  H     14.64572916      5.76749844    -16.01402856
  H     13.93220712      8.95299447    -17.36442025
          69
 Energy    -249.91519148352825     
  O     15.84613526      9.69198430    -16.56556005
  H     14.97905536      9.95991210    -16.24112120
  H     20.86908506      9.74828520    -17.17999566
  O     17.17285890     13.37913029    -11.23575374
  H     16.24176921      9.11882971    -15.89012919
  H     17.97295569      8.20084622    -14.49385834
  O     19.77291286      8.41824362    -14.10747775
  H     17.29986400     14.30134486    -11.44268683
  H     16.94251397      7.09179530    -14.81874703
  O     14.48612976      5.69294722    -16.40765223
  H     17.25604619     12.89099539    -12.07272494
  H     12.72549895     11.06596015    -15.67347599
  O     16.46469432      9.70420226     -9.01363181
  H     20.00972018      8.92908731    -14.89167733
  H     13.73056069     10.74687186    -14.54370878
  O     15.08217776      8.40933638    -12.76772368
  H     19.59819822      9.01555044    -13.36676740
  H     16.21808629      7.98500017    -11.49512379
  O     17.33723963     11.69816556    -13.41221370
  H     13.80404965      5.14874202    -16.79222724
  H     17.28594471      6.90426479    -11.23768069
  O     20.03158185      5.70300619    -13.71078001
  H     14.03482403      6.37168053    -15.87439270
  H     13.82846409      7.70672093    -14.01113394
  O     19.17630208      4.80149742    -16.11021283
  H     16.24607581      9.32409063     -8.16580327
  H     13.19378365      8.50452619    -15.14614464
  O     16.73253172      5.25188934    -14.83044653
  H     16.65869216      8.96122744     -9.60713272
  H     18.22741697     12.19987873    -10.14473052
  O     17.59905559      5.27848629    -12.18310918
  H     14.85271007      9.34770514    -12.77589177
  H     17.94678170     10.90499844     -9.35780363
  O     20.11311393      9.55343805    -16.63302670
  H     15.78495109      8.29560810    -13.42891895
  H     18.90137218     10.34825991    -11.19651270
  O     17.03399904      8.03662383    -14.64315281
  H     17.81491946     10.99378215    -12.95359651
  H     18.19154743      9.04358666    -11.64125798
  O     13.36029121     10.41720076    -15.38046365
  H     17.61062634     11.68105499    -14.34109668
  H     15.37944488     11.05046922     -9.89895310
  O     16.99037629      7.77389652    -10.94571067
  H     19.35368763      5.53510168    -13.04735654
  H     15.64914207     12.40875947    -10.57050754
  O     13.35573218      7.60200113    -14.84711286
  H     20.05984744      6.66572065    -13.82252618
  H     19.09274837      6.44078542    -17.11719339
  O     18.65427874     11.42072328     -9.76577769
  H     19.68581593      4.06599700    -16.43900233
  H     18.01502646      7.30274962    -17.80688401
  O     18.74599594      9.76891011    -11.95614241
  H     19.58665341      5.07987622    -15.27090616
  H     14.54833822     11.37857189    -12.13040503
  O     14.96034895     11.74899097    -10.41539375
  H     17.49092417      5.00762471    -15.37934427
  H     15.55434021     11.35273539    -13.30228454
  O     18.94514604      7.29424796    -17.53739379
  H     15.94484967      5.27297913    -15.38988438
  H     17.23626494     10.90630674    -16.36392850
  O     14.63806595     11.14604985    -13.06593414
  H     17.21104295      5.24983747    -13.07354235
  H     18.77155780     10.85014811    -16.28253841
  O     18.00867164     11.38341040    -16.02994769
  H     17.42221847      4.42800644    -11.78634162
  H     16.01710473      8.23102524    -17.72051708
  O     16.21845330      7.34976134    -18.06522436
  H     19.69471390      8.75549181    -17.00701476
  H     15.61701232      6.75203318    -17.60870568
          69
 Energy    -249.91509619893415     
  O     10.44292687      9.93836225    -12.16656617
  H     10.10653992      9.57914560    -12.99706306
  H     16.11274328      8.20033814    -17.54561074
  O     13.99371030      7.32575908    -15.37751310
  H     11.20212740     10.48602751    -12.40608199
  H     19.22263046      6.79229314    -16.63622484
  O     17.25585328     10.24864523    -11.24442033
  H     13.67902273      6.67927912    -14.73270155
  H     17.71672092      7.11854649    -16.47299965
  O     17.87722807      9.88127007    -15.56227819
  H     14.67816297      7.83341074    -14.91300526
  H     14.83454431     13.76161702    -14.21187746
  O     12.29154877      9.50843936    -15.46468205
  H     16.29815421     10.11433293    -11.22149377
  H     15.62482058     12.45305576    -13.98393331
  O     15.97533895      6.02567700    -10.48590690
  H     17.63617326      9.36459240    -11.20710506
  H     16.48002634      7.74000883    -13.73917958
  O     13.35273491      5.69623225    -13.19964475
  H     17.37691973     10.03983824    -16.37516489
  H     16.56041872      9.12485046    -14.43487242
  O     14.58197072      9.57966991    -11.80695550
  H     18.31766987      9.03182169    -15.68229564
  H     10.15521723      7.77992214     -9.85882027
  O     16.24355790     10.06867343    -17.84338158
  H     11.38833085      9.21744666    -15.29016181
  H     10.64178348      8.58207958    -11.08944190
  O     15.81911423      4.35317669    -12.84612114
  H     12.83982837      8.71099073    -15.49430628
  H     11.49022878      6.00520015    -13.24552601
  O     17.15652493     11.76822771    -13.58621472
  H     15.90136498      5.31800444    -11.13621349
  H     10.58621770      6.71934877    -12.22217751
  O     16.15230398      7.29098812    -17.22090410
  H     15.10357688      6.44397676    -10.45999115
  H     18.11476346      6.54411790    -14.34327059
  O     18.58183929      7.14050643    -16.02225335
  H     14.10725753      5.09866743    -13.14203533
  H     18.03385769      6.71398870    -12.77126454
  O     14.75999759     12.81202725    -14.25357334
  H     13.40259759      6.26029113    -12.41293518
  H     18.85670514      7.37000608    -10.40975203
  O     15.97519512      8.53755044    -13.94151024
  H     13.91713918     10.16869019    -12.18500075
  H     17.40283499      6.99702185    -10.78299499
  O     10.75309444      7.74662729    -10.60046370
  H     15.09650364      9.23802940    -12.55503658
  H     14.38999704     11.83350298    -15.82969376
  O     10.61402542      6.39478984    -13.13127389
  H     16.35611995     10.48568684    -18.69301370
  H     13.45576177     10.68935737    -16.29461642
  O     17.63590670      6.28836812    -13.54429760
  H     15.48015684     10.50145610    -17.41844209
  H     12.57669339      7.39465586    -10.64891522
  O     18.19600055      7.47362886    -11.09015636
  H     16.48245674      4.98512891    -13.17224968
  H     13.86325386      8.11534215    -11.14485666
  O     14.20384832     11.23770667    -16.56547606
  H     16.16008687      3.48015222    -13.02313720
  H     12.61269881     10.55819124    -13.99470719
  O     13.50163454      7.25444326    -10.88237558
  H     17.27891331     11.30076321    -12.74740293
  H     13.38166081     11.81122935    -13.50570197
  O     12.76314634     11.12560239    -13.22389273
  H     17.58106758     11.23179144    -14.26598117
  H      8.97268635      8.35331571    -15.01555316
  O      9.80934105      8.53411516    -14.59602112
  H     15.34347762      7.15655784    -16.71058722
  H     10.07645146      7.71736283    -14.13670724
          69
 Energy    -249.91500470650297     
  O     14.41521865      9.77641904    -10.59259382
  H     14.21791708     10.33702467    -11.35415203
  H     15.29786773      4.15711780    -15.95938384
  O     13.90335534     10.78104430    -16.48989773
  H     13.65677126      9.19894779    -10.41281432
  H     12.19686479      7.55703575    -11.00511134
  O     16.99533864     10.73231685    -13.16880968
  H     13.40156348     10.18645971    -15.91934413
  H     13.00196748      7.17112283     -9.72456839
  O     13.08176042      4.97137116    -13.26224186
  H     13.90965117     11.63412678    -16.03738032
  H     15.26295148     13.03506558    -15.05593220
  O     16.56983579      7.41690142     -8.64556276
  H     17.41398279     10.58963800    -12.30766719
  H     14.10727739     14.06315026    -14.97681745
  O     16.91846700     12.52910368    -15.31451939
  H     16.04227759     10.80231491    -13.03422612
  H     12.31728697      8.51184853    -13.89003496
  O     15.54250639      7.60720970    -12.07608207
  H     13.66553398      4.86807871    -12.49737615
  H     13.64316225      8.50282177    -14.67851671
  O     14.16544294     11.06507529    -12.99162184
  H     13.64124669      4.82586297    -14.03280340
  H     16.59332413     10.38380367    -18.14353791
  O     18.08667482      7.03257150    -12.93135386
  H     16.47019828      8.36799655     -8.51058506
  H     15.57156965     10.45219648    -16.98663260
  O     18.11277667     10.17964845    -10.72184976
  H     17.35031793      7.31403246     -9.20173663
  H     10.64586064      6.91835754    -12.83952134
  O     16.91162541      4.44547801    -13.20847684
  H     16.92653110     11.89379243    -16.04056489
  H     12.07881708      6.36009540    -12.99199863
  O     15.15545887      4.77224876    -15.24567290
  H     17.11635794     12.01415837    -14.51885858
  H     14.05346318      5.69001839     -7.85705070
  O     12.52862654      7.88931201    -10.16225813
  H     15.21413029      7.65904881    -12.98400035
  H     15.07425527      6.51267972     -8.67551240
  O     14.30676325     13.13484266    -14.89668909
  H     15.21707465      8.36292087    -11.57513425
  H     15.18952990      5.95187082    -11.51311860
  O     12.88940551      9.06462069    -14.43467185
  H     13.68066390     10.38410494    -13.48078440
  H     14.71666745      5.12881356    -10.31124638
  O     16.51979141     10.37221391    -17.19287217
  H     14.13291102     11.86658853    -13.52698572
  H     18.75232288      7.22725417    -11.28297990
  O     11.56687977      7.16131079    -12.78105238
  H     17.21802223      7.26517006    -12.56163971
  H     19.78171778      7.08823919    -10.14106007
  O     14.23303788      6.02370405     -8.73188477
  H     18.16131938      7.54557812    -13.74412809
  H     15.11422278      6.59741422    -15.07096398
  O     14.99708561      5.04344975    -11.22899917
  H     17.54100717     10.32315067     -9.95762297
  H     15.94757350      7.92401436    -15.00253255
  O     18.91788983      7.43627116    -10.34906672
  H     18.49492169      9.30415520    -10.59215327
  H     15.87438882     10.88307662     -8.01646524
  O     15.08028321      7.53214496    -14.83291975
  H     17.46994217      5.23090966    -13.14620443
  H     15.51065572     10.11667629     -9.31275944
  O     16.19629426     10.22692205     -8.62798422
  H     16.33850691      4.46190749    -12.42922019
  H     17.33496765      9.27375490    -15.89699538
  O     17.52906448      8.81645018    -15.06930484
  H     15.82527392      4.57750971    -14.56522477
  H     17.39960425      9.47614574    -14.36813030
          69
 Energy    -249.91469929539210     
  O    -12.32208409      3.18762838      2.04064381
  H    -12.19178859      4.01513842      2.52675236
  H    -10.95794141      5.09217033      6.70636968
  O     -4.16176672      2.48184474      2.35073530
  H    -12.96005795      2.67834609      2.55134567
  H     -8.54586705     -0.63605266      5.85515202
  O    -11.77603279      5.41004389      3.59253282
  H     -4.94119335      1.97159815      2.60949911
  H     -9.82192241     -0.36742720      6.69294066
  O    -11.72892036     -0.11203838      6.74361140
  H     -4.49765038      3.19930746      1.79835755
  H     -8.66194793      4.23680719      2.59682861
  O    -14.01977302      1.69392578      3.78826241
  H    -10.82216845      5.33465125      3.44611479
  H     -9.44770191      3.85198747      3.86709703
  O    -10.06200582      0.38409595      2.89028214
  H    -11.88870540      5.40883315      4.54931059
  H    -12.23355760     -0.57121272      4.95324354
  O     -6.63450905      1.50042071      3.32407441
  H    -12.15344432     -0.38692327      7.55343969
  H    -11.65599136     -0.32560955      3.54508458
  O    -12.46371636      2.45754266      6.00389830
  H    -11.97978988      0.81576546      6.60163897
  H     -6.51940924      5.89844134      4.67905300
  O    -10.33196163      2.04913199      0.64703095
  H    -14.94035462      1.49602186      3.63907391
  H     -7.96643539      5.36790179      4.50016766
  O     -7.96418064     -0.91197915      4.03114271
  H    -13.54579785      0.84317827      3.81466271
  H     -9.34987494      2.32318917      5.52730335
  O     -3.47910654      3.69338980      4.69102468
  H    -10.00931398      1.09401356      3.55182161
  H    -10.84348332      2.45211455      5.12488397
  O    -11.90434878      5.13571743      6.47683471
  H    -10.14557806      0.81721081      2.03330404
  H     -8.58463234      5.32911273      6.54155555
  O     -8.85718065     -0.37279243      6.72925001
  H     -6.50506987      2.03650816      4.12026578
  H     -8.98077602      4.02004924      7.24712998
  O     -9.11910952      4.60963761      3.35880104
  H     -6.97945626      0.64494285      3.60146123
  H     -7.46682386      2.47295730      2.03741983
  O    -12.47445421     -0.52542532      4.01932321
  H    -13.09377606      2.35472186      5.27813428
  H     -8.64439908      2.73387321      1.04155590
  O     -7.30377171      5.60743551      5.16580475
  H    -12.39138032      3.39637430      6.22327206
  H     -5.51096222      5.05726277      0.21929128
  O     -9.94947585      2.37046677      4.77043840
  H    -10.65123501      1.89021656     -0.23700885
  H     -6.39285153      4.13697849      1.09157049
  O     -9.27826558      4.92395940      7.07786823
  H    -11.04965370      2.50596780      1.12571936
  H     -5.20919869      5.56128125      2.74163044
  O     -7.82048054      3.09907404      1.38636078
  H     -7.80144463     -1.78790990      3.68951728
  H     -4.39944169      5.28572062      4.01858482
  O     -5.55530925      4.62899558      1.07073778
  H     -8.73550546     -0.55983237      3.55358036
  H     -8.39810997      1.32834431      7.06445079
  O     -5.02840311      5.90296294      3.62571988
  H     -2.56693884      3.57992403      4.94263608
  H     -7.41735684      2.47027117      6.63604355
  O     -8.28973668      2.28915292      7.01294023
  H     -3.60235579      3.22019086      3.84883629
  H     -5.15585887      3.25634331      5.41702927
  O     -6.10262830      3.11424731      5.53454493
  H    -12.28398927      5.82184601      7.01923702
  H     -6.52433848      3.98078674      5.43271670
          69
 Ord_Energy   -249.914642    
 O  -0.749351323       10.5885124       4.39788342    
 H   -1.65763807       10.3596411       4.13465166    
 H  -0.817224741       11.2810097       5.05047035    
 O   -4.85392904       7.92758608       4.66475964    
 H   -5.68378448       8.41729164       4.62860298    
 H   -4.18882608       8.52197361       4.28539753    
 O   -1.67235398       7.65799570       1.91626382    
 H   -1.15338051       7.68919897       2.73362589    
 H   -1.14236653       8.04772091       1.20514083    
 O   -7.14044333       9.46595860       3.93746018    
 H   -7.98435783       9.70151043       4.31317091    
 H   -7.31901026       8.83191109       3.21924591    
 O   -3.31065679       4.16742802       3.83407187    
 H   -3.67043781       3.35696507       4.18605089    
 H   -4.05607462       4.66445684       3.45805144    
 O   -3.87849283       6.76315832      0.537797272    
 H   -3.53260136       6.35703135     -0.266988456    
 H   -3.11657619       7.11846876       1.01732147    
 O   -3.09602737       9.62262726       3.38587523    
 H   -2.65958405       9.04608822       2.74612212    
 H   -3.80642891       10.0909138       2.92572713    
 O   -1.15935767       4.83004665       2.12915468    
 H   -1.37413073       5.76689529       2.02436638    
 H   -1.84936035       4.46277094       2.69357944    
 O   -5.54408979       8.93663311       6.11658692E-02
 H   -5.14411497       9.47276306     -0.635798633    
 H   -4.95895243       8.17482567      0.181788936    
 O   -2.06466508       8.60402870      -2.00513482    
 H   -2.24459600       7.65826178      -2.03922939    
 H   -1.32393992       8.71444035      -1.39178300    
 O   -5.28330135       10.7470379       2.16683459    
 H   -5.41313982       10.1466417       1.41671121    
 H   -5.95702410       10.5133219       2.81595254    
 O   -5.22226715       5.86282682       2.78442502    
 H   -4.77684593       6.12184143       1.96345043    
 H   -5.09610653       6.57746410       3.42674875    
 O  -0.296285093       7.79091787       4.30932999    
 H   -1.01338613       7.36581945       4.80657959    
 H  -0.311756670       8.73737526       4.49240494    
 O    1.88406134       6.87315273      0.343823165    
 H    1.76693022       6.59044361       1.26825333    
 H    2.81337881       6.79147053      0.147157773    
 O   -7.32839823       7.68303204       1.89346266    
 H   -6.80730152       6.90717125       2.13056540    
 H   -6.87713814       8.09198284       1.14258206    
 O   -2.48667932       6.49555445       5.36020756    
 H   -3.33151674       6.96194506       5.34075451    
 H   -2.66213131       5.63600826       4.96025038    
 O  -0.268571436       5.11578035     -0.504898787    
 H  -0.544506669       4.81048679      0.370537937    
 H   0.498447210       5.68058443     -0.358630627    
 O    1.31276882       6.02055311       2.85954618    
 H   0.949810386       6.66563225       3.48154449    
 H   0.599023640       5.38627100       2.71462250    
 O  -0.412135750       10.9890604       1.50307202    
 H  -0.393518656       10.9693499       2.46416569    
 H   -1.28902888       11.3130903       1.24499929    
 O  -0.122339442       8.79027081      -3.88128497E-02
 H   0.689220726       8.27896595       6.19453192E-02
 H   -6.37057126E-02   9.61698055      0.467825294    
 O   -2.99515772       11.6963549      0.671931267    
 H   -3.26334906       11.3499250     -0.188233882    
 H   -3.78895831       11.6519251       1.21573579    
 O   -2.56931996       5.80144501      -1.74172127    
 H   -2.77043343       5.17389584      -2.43053484    
 H   -1.71383071       5.53504753      -1.35907686    
 O   -3.99392319       10.4477301      -1.71832132    
 H   -3.28858614       9.79217052      -1.87158489    
 H   -4.12068367       10.9140043      -2.53997970    
          69
 Energy    -249.91462310938846     
  O     12.21234380     10.80264609    -14.23838602
  H     12.47433323     10.04555087    -14.78266011
  H     16.10229654      5.65292432    -14.39515585
  O     16.38924296      6.77455742    -13.08410018
  H     12.76401395     11.53071549    -14.54594523
  H     20.03413573      9.26625622    -13.95549216
  O     17.84379171     10.85463532    -11.59440231
  H     15.56699897      6.93367409    -12.59651852
  H     19.77046110      8.04134819    -14.84888092
  O     17.86540271     10.34937898    -15.92070128
  H     17.12146203      7.15026364    -12.57825490
  H     15.18253201     10.50309931    -17.55156194
  O     13.21043829      6.24312055    -14.44832125
  H     17.61235029     10.86389713    -10.65742348
  H     16.40957335     11.12492629    -16.86324250
  O     14.32098466      9.86378046     -9.24592195
  H     17.04918778     11.12614812    -12.08062764
  H     14.98310158      8.97819057    -14.93636303
  O     13.96998781      7.30398709    -11.88698675
  H     17.15021809      9.87865927    -15.46009699
  H     16.08893994      8.27221697    -14.09041045
  O     15.63280841     11.37831307    -13.08440060
  H     18.41684529     10.75183473    -15.23921424
  H     17.78172714      7.71084012    -10.05807787
  O     16.46976112      6.89695232    -17.27869655
  H     13.98925417      5.74225309    -14.71808592
  H     17.26354939      8.71368946     -9.01570632
  O     14.67044434      7.01062646     -9.18573970
  H     13.34808975      6.48948913    -13.52385553
  H     20.15509869     11.85283117    -13.63819324
  O     19.04793778      7.99164318    -16.67514603
  H     13.88195045     10.01724808    -10.09357846
  H     18.99927653     11.10048553    -12.94573446
  O     15.79095003      5.13243605    -15.15663243
  H     14.30473429      8.90841333     -9.11223018
  H     18.19042640      9.01840093    -11.71107111
  O     20.06690972      8.30128076    -13.96923920
  H     13.74824169      8.24475402    -11.93605768
  H     19.08686215      8.01965412    -12.48320169
  O     15.50866876     11.31885826    -17.15268117
  H     14.10823310      7.09945413    -10.95346574
  H     17.00467074     11.14858858     -8.17747341
  O     15.85904139      9.09184995    -14.54256094
  H     15.19476452     11.99140401    -13.68698472
  H     15.95695401     10.42379035     -9.05487242
  O     17.27966542      7.77392275     -9.23497204
  H     15.71796093     10.54532474    -13.57679295
  H     14.39548371      8.50665804    -19.01510087
  O     19.53274098     11.13937028    -13.75679220
  H     17.37299058      7.16423306    -17.07226518
  H     15.33089440      8.07372790    -17.86203485
  O     18.42152929      8.08257203    -11.78248998
  H     16.21849510      6.24652692    -16.61124473
  H     12.81668579     10.27890696    -12.59792130
  O     16.90775226     10.61800967     -8.96371858
  H     14.51527885      6.37211151     -8.49513297
  H     14.24998713     10.54820296    -12.15344456
  O     14.67402888      8.73992460    -18.13351486
  H     15.62666686      7.19642432     -9.18932087
  H     14.06307706     13.57460744    -15.45045543
  O     13.45298707     10.06398020    -11.90108903
  H     19.67306665      8.08677173    -17.39069765
  H     14.65372991     12.21954208    -15.89673852
  O     14.24823364     12.68971833    -15.14712862
  H     18.66705115      8.87277030    -16.51820768
  H     13.19223439      7.79125016    -15.33105910
  O     13.34290695      8.68959701    -15.66267392
  H     16.07953167      4.23463716    -15.01259366
  H     13.63481888      8.63993121    -16.58031104
          69
 Energy    -249.91429156001175     
  O     -7.68159485     -1.75661093      6.30411715
  H     -8.24953317     -0.98532077      6.45489943
  H     -4.77517031      0.53071613      1.45815605
  O     -9.83081662     -1.74734431      2.36992072
  H     -6.77375287     -1.47347735      6.44976024
  H     -6.67675053      0.93090036      4.21776417
  O     -8.58750877     -3.36573155      4.37649563
  H     -9.54828724     -2.35757833      3.06258628
  H     -6.90855284     -0.41387675      3.45689674
  O     -6.58809241      0.79535469      0.80432655
  H    -10.01586649     -0.91066960      2.81874259
  H     -4.59986674     -1.01907768      5.64468374
  O     -5.78988244      1.70014081      5.64991714
  H     -8.83065762     -4.21196500      4.74035800
  H     -4.33942185     -1.13081808      7.16693217
  O     -5.14457818      5.33103304      0.34331589
  H     -8.30443892     -2.80843591      5.12630020
  H     -2.45859594      2.96332643      0.72643671
  O     -8.43856336      3.01443762      1.03376140
  H     -7.01144651     -0.02111086      0.50851433
  H     -1.55488863      2.15385437     -0.23737754
  O     -9.29586308      0.45978216      6.49989925
  H     -6.78385833      0.86451166      1.75369370
  H     -9.32914676      3.95063189      3.98921172
  O     -4.14245431     -1.33191733      4.00400419
  H     -6.48887825      2.11972740      6.16765387
  H     -7.85417585      4.39413861      3.89471328
  O     -5.09321681      2.78689411     -0.64292900
  H     -5.50574722      0.89428831      6.10050442
  H     -9.85903012      3.13424253      2.02285881
  O     -9.89835237      0.67455436      3.74879211
  H     -5.18889307      4.45212726     -0.07520572
  H    -11.30859464      3.60319870      2.30434194
  O     -3.92682479      0.58029487      1.91507825
  H     -5.31888254      5.97153925     -0.34064993
  H     -6.85863472     -2.14239171      2.00464695
  O     -7.12875064      0.52660017      3.46725814
  H     -7.98250218      2.22320162      0.73450775
  H     -7.16724651     -2.73185099      3.40296297
  O     -4.96495621     -0.80850989      6.52383554
  H     -7.77970771      3.50603342      1.54631603
  H     -8.66133962     -1.65775864      1.09075980
  O     -2.41534912      2.16297144      0.17192863
  H     -8.91464777      1.32357117      6.69379425
  H     -8.14253956     -2.20979081     -0.25946678
  O     -8.57359549      4.23068137      4.51880508
  H     -9.66549416      0.52740666      5.60928020
  H     -8.08017708      3.58309100      7.55630381
  O    -10.54583923      3.20202130      2.71124232
  H     -3.89319858     -0.67906929      3.33888819
  H     -8.21395906      3.46394842      6.01895310
  O     -6.51008531     -2.23268646      2.89903191
  H     -4.88696031     -1.81227225      3.61357056
  H     -3.28979944      3.93073225      2.52270050
  O     -7.90637080     -1.64754023      0.47314525
  H     -5.64305172      2.11143168     -0.22827450
  H     -3.53513731      4.84215974      1.30499883
  O     -7.96589408      2.97937052      6.82759015
  H     -4.17798929      2.50573826     -0.51702609
  H     -4.23829960      2.03357608      3.03283268
  O     -2.85420387      4.32631103      1.75464700
  H    -10.23282749      1.51736166      3.42052345
  H     -4.78772407      2.51679082      4.39656208
  O     -4.41722993      2.82483061      3.55813442
  H     -8.93422563      0.69384902      3.64721451
  H     -5.82678358      3.80954971      2.94191591
  O     -6.52977459      4.36330208      2.57438356
  H     -3.30451495      0.99387763      1.30227592
  H     -6.12310688      4.87230635      1.86197084
          69
 Energy    -249.91394219052438     
  O     17.41192348     16.98012536    -16.77424764
  H     16.98486180     17.75811133    -17.12457722
  H     18.16658756     13.21457833    -10.61069505
  O     21.74394904     11.84252003    -16.06621263
  H     17.77859244     17.22966254    -15.90862512
  H     19.96998161     18.46131893    -11.62537261
  O     18.96010823     15.02507180    -10.54009973
  H     22.40366191     11.50000762    -16.66350313
  H     20.94720322     18.67360802    -12.79536357
  O     15.06059918     14.24512154    -13.49348589
  H     21.03083585     12.21238087    -16.61495996
  H     21.15897963     12.90569855    -11.28916301
  O     20.52609033     11.14510126    -11.26540904
  H     18.38961095     15.21424378    -11.30145195
  H     21.40088476     13.88989380    -12.45262751
  O     15.88831876     11.64830825    -12.53731730
  H     19.77698612     14.62756670    -10.87774218
  H     16.98634462     11.05912011    -13.91454111
  O     19.60998271     13.08434778    -17.22707401
  H     15.28388598     14.29076084    -14.43273883
  H     17.36438546     11.10911369    -15.43866860
  O     21.06935135     16.49551402    -15.17153945
  H     15.23503326     13.33712651    -13.21525100
  H     20.43997904     16.07313551    -16.93057231
  O     20.01596017     17.49624759     -9.96220123
  H     20.87101446     10.39969039    -10.78102764
  H     19.02775493     16.19910605    -17.52119018
  O     21.37373023     13.93716505    -14.22298181
  H     20.50990107     10.88663195    -12.20444969
  H     23.48009613     18.36623063    -13.34064826
  O     17.00601535     11.87108286    -17.04929003
  H     16.59287938     11.89846369    -11.91240686
  H     22.64487691     17.33643544    -12.54234015
  O     17.94985543     12.32276672    -10.90353515
  H     15.26387133     11.11827118    -12.04800465
  H     18.09547483     16.75116134    -13.75469362
  O     20.03578452     18.82499727    -12.51717781
  H     19.74807256     13.98460926    -17.55876682
  H     18.97983690     18.02814470    -13.71191402
  O     21.31073902     13.83722735    -11.48912507
  H     19.18536965     13.20392820    -16.36811369
  H     22.17696745     15.47395984    -11.14335938
  O     17.70571445     10.93872866    -14.54767701
  H     21.69963497     17.01168306    -14.65220010
  H     21.69714710     16.82823170    -10.58780240
  O     19.88116710     15.77016397    -17.65809220
  H     20.18800020     16.77565892    -14.88591756
  H     20.87214654     10.84382153    -14.63271650
  O     22.64884788     17.89953194    -13.33735165
  H     19.77392432     17.81740578     -9.09727794
  H     19.43971603     10.48520972    -14.16101142
  O     18.54167408     17.40516306    -14.31040304
  H     19.56638307     16.64249058    -10.07867804
  H     18.39469514     12.61352292    -14.40389768
  O     22.41108878     16.40921958    -11.08485847
  H     21.69383173     13.28870034    -14.86110418
  H     19.60355108     13.62088053    -14.34072744
  O     20.36824800     10.50035229    -13.88759003
  H     21.35904769     14.81389013    -14.63450191
  H     17.15774742     14.18505789    -15.48578204
  O     18.65798454     13.53703129    -14.52321313
  H     16.57416849     12.71484181    -16.85769127
  H     16.60255586     15.30434657    -16.37910372
  O     16.38902218     14.43606494    -16.01651144
  H     17.85269345     12.11035460    -17.44444474
  H     16.52673256     15.12323662    -12.90279173
  O     17.46186191     15.35330993    -12.80750606
  H     18.79168569     11.85752644    -10.98457667
  H     17.94272019     14.68480977    -13.31627317
          69
 Energy    -249.91331129904574     
  O     19.62351638     12.77055313    -19.25378563
  H     19.96843800     13.57203600    -18.82612657
  H     14.76176170     11.81682608    -13.51034503
  O     18.67784256     17.74851668    -14.58452316
  H     20.29754485     12.46813030    -19.85733071
  H     22.49972468     14.19471245    -15.31483944
  O     15.92445139     14.70844547    -13.58139249
  H     18.29059609     17.95446881    -15.44391074
  H     22.13191470     14.14777187    -13.82517121
  O     15.90499123     13.16772410    -17.64249821
  H     19.64586210     17.73840057    -14.65560252
  H     18.52119352     12.61508022    -13.61334299
  O     16.14571847     10.53794327    -13.10954684
  H     16.21518060     15.50649586    -13.12335841
  H     17.31010804     11.95745929    -12.89179202
  O     13.92922704     11.58420815    -16.46921964
  H     16.59982774     14.03595002    -13.40603121
  H     15.45332276     10.44198733    -16.11913398
  O     22.66093576     15.61057614    -16.63801174
  H     16.69568542     12.65586947    -17.41927572
  H     16.98914284     10.47905632    -16.27664921
  O     17.20309398     16.95031201    -12.44644950
  H     15.14571682     12.64634953    -17.35429579
  H     16.46519722     18.57321748    -17.19422081
  O     19.69719765     12.66254863    -14.97483349
  H     16.24187783     10.29914090    -14.04935421
  H     16.66099353     17.10517197    -16.75276539
  O     17.25507163     14.37283432    -19.82469861
  H     16.07539687      9.72155623    -12.62255900
  H     22.22285288     15.51553121    -11.68623315
  O     20.33558980     15.12920302    -17.99105091
  H     13.94535600     11.94403132    -15.56392842
  H     20.78944624     15.23259538    -12.18904467
  O     14.19942991     12.48513690    -13.92247026
  H     13.02831402     11.33265807    -16.65200237
  H     21.81524076     16.76991082    -15.36187497
  O     22.25635220     13.58976137    -14.60413717
  H     23.39458361     15.84465751    -17.20080343
  H     21.49171876     16.66402364    -13.86300444
  O     17.83426302     12.76544319    -12.94763419
  H     21.90158576     15.44484805    -17.22151146
  H     18.48682902     15.65078299    -11.87206458
  O     16.27325889     10.06544087    -15.77646506
  H     16.94731546     17.69959007    -11.91496667
  H     18.70806440     14.13212149    -12.03182428
  O     17.13269652     17.92447944    -16.98257354
  H     17.72180024     17.29778708    -13.19341590
  H     18.70345620     11.88871510    -17.87477087
  O     21.70043683     15.41812339    -12.47805951
  H     19.35155544     13.54354266    -15.19200975
  H     18.76670076     11.90874624    -16.32792683
  O     21.32337063     17.19715566    -14.65163182
  H     20.64530290     12.78965030    -14.83505376
  H     17.85385128     15.15434314    -15.94863366
  O     19.13811878     14.95057254    -11.75099549
  H     16.63613432     13.99239507    -19.18884688
  H     18.95241484     15.92031715    -15.19098328
  O     18.20672394     11.66307413    -17.07873412
  H     18.01014687     13.77320627    -19.82339902
  H     18.09927461     17.23270418    -18.54284018
  O     18.78477138     15.11704506    -15.69547080
  H     19.85327302     15.77402862    -18.53177339
  H     18.00871278     16.02654417    -19.51350708
  O     18.57456431     16.76459327    -19.23770365
  H     19.83510761     15.06527006    -17.16481020
  H     15.92201376     14.72357384    -16.77758229
  O     16.07276589     15.50482567    -16.22671685
  H     14.63256318     13.33242821    -13.75861764
  H     15.90295928     15.25198112    -15.30808696
          69
 Energy    -249.91297183963437     
  O     12.52375145     10.90711579    -10.35618186
  H     12.32414385     10.82746861    -11.30916546
  H     15.65209231      4.57068363    -16.26408607
  O     13.78723075      6.62924309    -15.35179071
  H     11.85831687     11.47631873     -9.98056425
  H     13.56086644      5.40822054    -12.48417166
  O     16.20897289     12.32383278    -13.44095914
  H     14.24505050      6.15637226    -16.05711347
  H     15.08588348      5.65474191    -12.41049638
  O     13.20896605      8.19619083    -10.16383051
  H     14.01322409      6.17008341    -14.52913893
  H     18.58395075      5.21982544    -15.24652814
  O     17.17642827      9.89812694     -9.51157508
  H     15.43454888     12.20549492    -14.00288782
  H     19.51504690      4.12127872    -14.67657369
  O     12.12712313     10.56678514    -12.98065979
  H     15.90822169     12.15029834    -12.53852881
  H     14.29120528     10.69584831    -15.12506863
  O     18.58093103     11.10319512    -13.91894182
  H     14.03173352      8.07077158     -9.67176661
  H     13.63706939     11.88875952    -15.86117626
  O     15.26746398     11.31109465    -11.01569632
  H     12.93138438      9.11704314    -10.06875853
  H     11.73248819      7.29758368    -13.06372936
  O     16.30863319      6.50647654    -11.43908130
  H     17.88122049      9.76450833    -10.16320200
  H     12.32455171      7.52475400    -14.46071572
  O     18.04348860      6.29650500    -16.50795986
  H     16.58349193     10.55789038     -9.89210401
  H     14.54650982      8.25452891    -15.25291657
  O     16.03013699      3.80726093    -14.74081579
  H     11.94298951      9.67260141    -13.30487523
  H     14.97005822      9.06327486    -14.00763129
  O     15.46217540      5.12924310    -17.04079870
  H     12.66895356     10.99894595    -13.64921223
  H     11.38437336      5.70491559    -11.05961412
  O     14.38726372      5.27153609    -12.96210060
  H     19.22208621     11.76492662    -14.16476718
  H     12.43347568      6.83971061    -10.99287591
  O     18.76892893      4.67408102    -14.45957213
  H     17.74203723     11.57200390    -13.76186577
  H     16.27720737      8.52050464     -9.09792779
  O     13.92130830     11.58751684    -15.00174588
  H     14.36412442     11.36761082    -10.68470731
  H     15.92979760      7.42465393     -8.06055669
  O     11.76885796      7.93440123    -13.78677658
  H     15.30904498     10.47269708    -11.50287706
  H     18.73993790      6.17374610    -13.34356748
  O     14.97443015      9.07618369    -14.97875176
  H     16.28452609      6.81890648    -10.52692474
  H     18.23877274      7.59988888    -13.66319520
  O     12.07563160      6.13354238    -11.55791055
  H     17.18283430      6.66535684    -11.82289364
  H     15.60224883      8.08746779    -12.06018907
  O     15.73861964      7.72099665     -8.94601247
  H     17.96432257      7.18740391    -16.14060453
  H     14.21542584      8.67083135    -11.77030489
  O     18.54161819      7.02848471    -12.94171712
  H     17.16387588      6.03270459    -16.80371013
  H     18.99739813      8.59300236    -11.94622638
  O     15.02406258      8.83123822    -12.27074671
  H     16.93973736      4.01215132    -14.49263303
  H     18.89290118     10.08299117    -12.31273528
  O     18.97335441      9.47898156    -11.56496045
  H     15.45924961      4.17133866    -14.05106606
  H     16.76307041      8.83631768    -15.10042773
  O     17.71787448      8.68999228    -15.04934324
  H     15.28769868      4.53860331    -17.76879565
  H     18.10542993      9.52800151    -14.76604580
          69
 Energy    -249.91234584515061     
  O     16.99500119      8.55684474    -11.23312361
  H     16.68318630      7.91485318    -10.58253095
  H     15.26269873      9.06244368    -15.43815596
  O     10.87369670      9.27808144    -12.46656642
  H     17.36746276      8.04221392    -11.95918009
  H     11.95054094      7.96313303    -15.51630750
  O     12.28038408      3.73209950    -12.28529347
  H     10.42824718      8.45362087    -12.24016627
  H     12.93524860      9.12530165    -15.14497984
  O     14.50067077      5.70419355    -16.05832765
  H     11.20188093      9.16928630    -13.37049828
  H     14.24070782      5.82262100    -13.28144207
  O      9.69078149      6.73132319    -11.82680656
  H     12.02142629      4.34459931    -11.58231976
  H     15.28636950      4.75759826    -12.87511453
  O     15.46688234      4.31754826     -7.94176392
  H     13.07259746      4.09789366    -12.71074283
  H     13.11333502      7.76228667    -13.62456936
  O     12.71886797     10.29901535    -10.76921408
  H     13.57392457      5.89178950    -16.24877363
  H     14.35164510      8.26416552    -12.86440274
  O     16.72865095      4.92915537    -11.78380106
  H     14.51070431      5.23832154    -15.21045997
  H     15.74404232      9.60200591    -11.96114738
  O     16.45270567      7.54553929    -15.76670699
  H     10.26194204      6.27158840    -11.18875673
  H     14.29938919     10.19898629    -11.85243671
  O     12.75963750      3.61925636     -8.62495499
  H      8.79785207      6.65000730    -11.49919821
  H     13.16541557      0.91262485    -10.94598979
  O     11.72578799      6.29458753    -16.34411106
  H     15.93657221      4.06155460     -7.15244279
  H     13.01718683      2.39310604    -11.36067617
  O     14.62848240      9.76071363    -15.24044543
  H     15.74781290      3.70715298     -8.64822688
  H     13.08334767      8.52721265    -10.20880788
  O     12.11263318      8.67852194    -14.89044668
  H     12.38206381     11.08053422    -10.34034986
  H     13.40511020      7.45940279    -11.26386975
  O     14.48484813      4.88951402    -13.39635637
  H     12.02384720      9.99029953    -11.38010433
  H     11.15855631      4.58579197    -13.57582795
  O     13.79237819      7.48643080    -12.99593888
  H     16.39660467      5.48455477    -11.06152340
  H     10.25809426      5.81831978    -13.41114568
  O     14.99954897      9.95748094    -12.47044746
  H     17.22928221      5.51237825    -12.36654380
  H     11.83294887      4.83934994     -9.54982271
  O     13.47400722      1.79323118    -10.74785213
  H     16.85753662      7.68554619    -16.61972739
  H     12.12025092      6.24464301    -10.14387789
  O     13.28160917      7.58903816    -10.30980229
  H     15.74890399      6.88528461    -15.90167787
  H     16.39807145      3.36279682    -10.76626993
  O     10.68163443      5.26046179    -14.07425383
  H     13.60997759      3.91249441     -8.27549667
  H     15.25804116      2.37252720    -10.39821370
  O     11.52157902      5.48569919    -10.20013327
  H     12.96457993      2.88863307     -9.22111541
  H     15.68960966      5.85489022     -8.98190497
  O     16.08011346      2.76449413    -10.07734542
  H     11.32266298      5.88574225    -15.55651534
  H     14.88372682      6.88705822     -9.81566668
  O     15.76485513      6.50822147     -9.68812923
  H     11.15869552      6.08680948    -17.08191396
  H     18.80669025      6.97976302    -13.70041843
  O     17.88762747      6.92577827    -13.44615142
  H     14.81504441     10.02787738    -14.32873563
  H     17.37062151      7.14936959    -14.23570481
          69
 Energy    -249.91231766365746     
  O     16.14873839     11.29986057    -12.70805007
  H     16.80202771     10.61757418    -12.51572874
  H     12.57083407      7.69479674    -13.92460493
  O     18.41151497      7.91632762     -8.30140847
  H     16.02342716     11.77586333    -11.87825782
  H     12.71637567     11.66180205     -9.08735775
  O     15.01283264      5.54102274    -11.37941136
  H     18.90642560      7.72176047     -9.10681777
  H     12.78339034     12.03539663    -10.58117350
  O     11.83398959      6.10144568     -9.56121938
  H     17.89811113      8.71345442     -8.48903724
  H     14.65816943      8.02717806    -14.38621538
  O     17.67115527      5.08610853    -10.51082149
  H     14.84953360      5.79965129    -10.45999825
  H     14.35734202      7.95687225    -15.90288814
  O     17.08721305      5.61718820     -7.74772559
  H     14.17854246      5.18707443    -11.70816753
  H     18.84809575      6.34709724    -10.80930827
  O     17.65750134      9.10111959    -11.67626724
  H     12.70413811      6.04560673     -9.14490758
  H     20.29968810      6.77531860    -11.13533177
  O     15.83743195     12.48375064    -10.09309445
  H     11.91076988      5.61899464    -10.39218896
  H     14.44920667      7.15869779     -8.62547844
  O     16.72427057      9.98924698     -9.18726130
  H     17.49519709      5.10490710     -9.56153777
  H     15.33975414      5.93269069     -8.27819241
  O     13.63067954      8.99279449    -11.36758721
  H     16.80587366      5.11351544    -10.93831187
  H     11.43071794     10.76355347    -12.18627920
  O     10.36265059      8.36806765     -9.33523846
  H     17.43378000      5.21714034     -6.95492306
  H     12.69121620     11.30805553    -12.96201974
  O     12.07780925      7.47155022    -13.12464640
  H     17.55639300      6.46325625     -7.86474348
  H     10.24456990      9.06530414    -11.14853259
  O     13.17456540     12.22897937     -9.71486767
  H     17.33184733      9.39498020    -10.81300842
  H     10.64475751      8.66950766    -12.57815842
  O     13.98172764      8.20828995    -15.06322235
  H     18.37162450      8.47658995    -11.50026763
  H     11.31387137      9.65471143     -8.46443248
  O     19.45081656      7.11072298    -10.86078023
  H     16.07759603     13.39524016     -9.94935070
  H     11.41566207     10.51134250     -7.18301948
  O     14.51980206      6.19580127     -8.71306642
  H     14.87955032     12.41803144     -9.92784976
  H     11.86312749      4.29033695    -12.63817801
  O     12.22554507     11.30885102    -12.11133665
  H     16.53803500     10.90832578     -9.41892916
  H     12.17984994      5.80470788    -12.56868874
  O     10.22647466      9.37087115    -12.06351493
  H     15.87208319      9.60035831     -8.94432166
  H     13.88764063     10.12514554    -14.64602067
  O     11.87971476     10.28034497     -7.98415902
  H     13.26350703      9.84711734    -11.63360292
  H     14.70738202     11.13732792    -13.80505969
  O     12.34222482      4.94654023    -12.13929999
  H     14.38236956      8.78599509    -11.93668440
  H     13.99581557      8.92749272     -9.67518795
  O     13.85940982     11.00480306    -14.25749194
  H      9.48637382      8.08046068     -9.08843324
  H     13.50529791      9.38826028     -8.28375130
  O     14.21400834      8.91055710     -8.72755730
  H     10.90306440      7.56174242     -9.41443471
  H     16.40053830      8.19804015    -12.56734319
  O     15.62605726      7.75812496    -12.94303968
  H     12.52372172      7.94208430    -12.40305144
  H     15.45964634      6.95673028    -12.42723494
          69
 Energy    -249.91221164897854     
  O     11.99794883      6.09677772    -12.01941651
  H     12.62288824      5.43301377    -12.33357112
  H     14.44621648      6.07065227    -15.24426250
  O     17.17335931     10.28640468    -14.80059913
  H     12.41504409      6.50695136    -11.24850425
  H     16.65427617      5.81452519    -14.23027197
  O     17.39974369      8.53826099    -12.68854907
  H     16.37790839     10.01710304    -15.28093476
  H     18.17725256      5.98940658    -14.44407847
  O     16.33198943     12.64821380    -13.51704787
  H     16.97998573     11.14195707    -14.39730070
  H     14.34557422      7.75804860    -11.86282576
  O     13.54479796      7.45265439    -10.14857370
  H     17.41432687      9.16266894    -13.42753684
  H     15.60140366      8.25595679    -12.65066024
  O     14.85404409      9.58902118    -16.26896077
  H     17.54634290      7.65348489    -13.04934093
  H     14.66996084      9.99019235    -10.28449919
  O     13.93976586     11.71463085    -14.82196622
  H     16.20261328     12.46587030    -12.57070959
  H     13.33623860     10.34138373    -11.01660583
  O     16.73874180      5.75180743    -17.31543035
  H     16.68443314     13.53270757    -13.57732909
  H     14.40315526      4.55771690    -13.73017572
  O     11.00869969      8.02437520    -13.65865828
  H     14.33648590      7.17365493     -9.67168952
  H     13.86857924      3.31677834    -12.98497953
  O     16.26398030      5.22066820    -11.34132897
  H     13.43478678      8.39890142     -9.98277708
  H     13.52310140      9.52450152    -12.80579857
  O     13.42348656      7.53951419    -15.05321431
  H     14.32253281      8.85594919    -15.93052924
  H     12.01278118      9.58581359    -13.05303988
  O     15.09377831      5.35540962    -15.16958497
  H     14.47345622     10.40144837    -15.90184433
  H     16.22058563      6.21332577     -9.91947689
  O     17.48597869      5.99237185    -13.76990203
  H     14.68225884     12.15004481    -14.38687888
  H     16.42211981      6.35485963     -8.39103220
  O     14.65025108      8.11061085    -12.70750529
  H     13.43302587     11.28683460    -14.11840433
  H     20.13053114      5.98823617    -16.15660993
  O     13.74642185     10.24696138    -10.14481383
  H     16.57663513      6.61790079    -17.70978643
  H     19.13015862      7.16974994    -16.16316960
  O     14.03805537      4.25086323    -12.88334114
  H     17.63345458      5.79113397    -16.95604972
  H     16.47652818      8.61437581     -9.71247559
  O     12.76576108     10.13056791    -12.79428111
  H     10.06783863      7.92127939    -13.77090953
  H     16.98346107      9.15461087    -11.05907883
  O     16.09338193      6.81165088     -9.16048048
  H     11.29856897      7.31394751    -13.05716737
  H     16.13646334      8.77225902    -19.10425761
  O     19.23246950      6.22593460    -15.94347921
  H     15.46620922      4.84597901    -11.73318402
  H     15.80005209      8.90124352    -17.60213025
  O     16.56497879      9.42420083    -10.22760148
  H     16.84412199      5.42116608    -12.08671666
  H     16.39212795     11.26391665    -10.57760852
  O     16.38516562      8.45694918    -18.23899052
  H     12.49714968      7.67045294    -14.82281152
  H     15.04037505     11.96230341    -10.54758245
  O     15.93753990     12.06381218    -10.87874169
  H     13.91111879      7.67923777    -14.22289041
  H     18.02415078      8.72357418    -17.30199418
  O     18.71277253      8.79341732    -16.62823621
  H     15.61403198      5.36457012    -15.98646981
  H     18.35995048      9.40177979    -15.96621584
          69
 Energy    -249.91151675788859     
  O     14.88515797     12.86901134     -9.98103935
  H     15.57789704     12.41020802     -9.49103384
  H     13.65674288     11.82698669    -14.38832993
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  O     16.11411081      9.42714253    -10.97829409
  H     14.87825054     12.29843164    -16.64052969
  H     14.64699100     15.35541370    -14.85748486
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  H     16.33939564     12.65736860    -16.95455429
  H     13.83662679     15.21055121    -12.66140025
  O     14.14041798     10.76129242    -15.75847187
  H     16.72801046      9.71313884    -11.67198531
  H     12.57278086     15.62877212    -13.44546790
  O     15.17546224      7.00290313    -12.00955550
  H     15.82482597      8.53730797    -11.21552950
  H     21.05441770     11.63019166    -12.18083930
  O     15.36226336      7.46293280    -14.67137673
  H     17.66028351     15.42288229    -12.14329399
  H     19.73435889     12.30635986    -11.73980354
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  H     18.53486062     12.22264024    -16.21838395
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  H     18.58631783     11.78787584    -17.70170045
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  H     12.59389089      8.41843070    -14.17471622
  O     19.31490014     13.05877029    -14.91175308
  H     15.32999610      6.07991160    -11.82774081
  H     11.92420040      8.00209040    -15.50550104
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  H     17.21203653     10.85013403     -8.26577267
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  H     15.93262916      8.16719398    -15.00696274
  H     16.71801647     10.54273175     -9.69731347
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  H     14.46895102      7.68548912    -14.96120554
  H     18.21294863     12.52003819     -9.96412232
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  H     15.25678454     12.49688628    -13.06163054
  H     18.38847407     13.93060920    -10.60020215
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  H     15.83529166     12.82777899    -11.67824619
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  H     18.64884525     10.78619312    -12.78974148
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  H     13.48796666     11.23292336    -12.04706397
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  H     17.13261843      9.98002331    -14.52612435
  H     14.67698608     14.59103035    -10.61817041
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  H     13.40716860      7.77537286    -12.18226424
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  H     16.81122587     15.12653099    -14.39677827
          69
 Energy    -249.91133930241594     
  O     11.88077431     10.71694061    -14.57081466
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  H     17.96603139      7.45854342    -13.24236487
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  H     17.91085356     10.31291595    -11.55027594
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  H     12.95792932      8.04041568    -16.29427281
          69
 Energy    -249.91124154475401     
  O     -3.06857183      0.36122728     -0.17189321
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          69
 Energy    -249.91075881718689     
  O     -2.77546051      5.08857084     -0.75920581
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  H     -2.30616085      0.97772688      4.23954669
  O     -2.99725987      4.96327307      2.14952938
  H     -7.72297151      1.17955279      3.39166605
  H     -1.86601392      2.46581054      4.27718305
  O     -2.55884508      1.85346661      4.55428782
  H     -7.00450433      1.38504989      2.03799335
  H      1.41447547      0.95902253     -1.65721603
  O      1.22178617      1.64549982     -2.30699459
  H     -5.51898420     -0.22200574      3.11333155
  H      0.88831792      1.17848226     -3.08331877
          69
 Energy    -249.91044868445101     
  O     12.10363591     10.72202274    -14.79786384
  H     12.18694462     10.24057629    -15.62982828
  H     17.03782837     10.76516366    -15.44899309
  O     15.87651124      6.32079808    -12.91487353
  H     12.80182931     11.38738857    -14.79875679
  H     15.44697085      7.86368636    -13.82416639
  O     17.65610973     10.30809743    -11.90202538
  H     15.21087169      6.48621042    -12.23269860
  H     14.25927856      8.20072440    -14.72590451
  O     12.97919261      7.03988109    -15.44416850
  H     16.72108262      6.67426764    -12.60718686
  H     11.44081198     10.12018607    -13.29638173
  O     15.07548128      9.38784953     -8.54935919
  H     16.73630358     10.52459119    -12.11058918
  H     10.19051131     10.08264854    -12.38803934
  O     13.93383748      6.96555504    -11.03078392
  H     17.73493756     10.34962093    -10.94073365
  H     18.17002444      7.26643411    -10.53523544
  O     14.99680931     10.75145572    -12.57680901
  H     12.45856755      7.00365663    -14.62627133
  H     17.96829959      8.24446177     -9.36460722
  O     16.96787188      6.86218685    -17.01175391
  H     12.58453255      7.67963683    -16.04557356
  H     12.47084571      6.84471623    -12.29345616
  O     15.46735731      6.54591858     -8.71861595
  H     15.11042537      8.42660000     -8.46861135
  H     11.47852005      7.92745082    -12.76384428
  O     15.26274121      5.45393809    -15.49405931
  H     14.36976093      9.57693349     -9.18173569
  H     18.79307342      9.64384120    -14.79871915
  O     18.89684279      7.74875393    -15.17068944
  H     14.36751305      6.69507101    -10.21154957
  H     18.41036360     10.58593814    -13.63749890
  O     16.12829651     10.67376780    -15.76612229
  H     13.72920872      7.90554046    -10.92849361
  H     18.55773437      7.57930414    -13.30809801
  O     15.01646390      8.59830917    -14.27865054
  H     14.77225722     11.49690864    -13.14474712
  H     18.04610592      8.56424840    -12.22995638
  O     11.08635865      9.76418562    -12.46213038
  H     14.92508315      9.95856033    -13.13318832
  H     16.69785673      9.93784838     -8.88053003
  O     17.92532897      7.30953024     -9.60232830
  H     17.19656561      6.33355394    -17.77260285
  H     17.97964629     10.65181239     -8.38879826
  O     11.81640518      7.04797570    -12.97323252
  H     16.35765371      6.32284096    -16.47513261
  H     15.70202766      8.25395272    -17.56377305
  O     18.59398746     10.56403771    -14.58609031
  H     16.36959892      6.73104440     -9.03542710
  H     15.54417567      9.74353090    -17.25187913
  O     18.25761941      7.63262866    -12.39322465
  H     15.54079457      5.85553287     -8.06542595
  H     13.92568582     10.14992243    -11.28663562
  O     17.62945874     10.12122373     -9.09923334
  H     15.51446505      5.55378934    -14.56537561
  H     12.44586935      9.74721980    -11.16474587
  O     15.14371688      9.01703975    -17.75002281
  H     14.39358046      5.87391914    -15.56915558
  H     15.02017958     11.92057858    -15.19030206
  O     13.29565994      9.69046417    -10.71128483
  H     19.72295371      7.42219230    -15.52203482
  H     14.52937597     13.37468359    -14.98528707
  O     14.36455147     12.47187883    -14.72744473
  H     18.20829012      7.47893225    -15.79776088
  H     11.97564756      9.26582107    -17.99650484
  O     12.47694694      9.20328970    -17.18766186
  H     15.76322471      9.89798916    -15.31153525
  H     13.41312710      9.13011625    -17.44523736
          69
 Energy    -249.91035669767780     
  O     -1.52052757     -2.07171711     -1.46035141
  H     -0.71660758     -1.85734678     -0.96504610
  H     -4.52470738     -2.98060424      3.72095234
  O     -2.39952969     -0.49377102      2.05223727
  H     -2.12439703     -1.33162299     -1.31645529
  H     -3.18207009      0.17796693      5.63705102
  O     -5.95058209     -2.26862172      2.70168715
  H     -2.16083419     -1.42961373      2.03278654
  H     -4.19342733      0.80004040      4.65764879
  O      1.03294976     -2.84483265      6.51143487
  H     -1.68960918      0.00769062      2.46805258
  H      0.77862633     -1.72996185      0.98237188
  O     -2.96563217     -4.10253850     -0.48274579
  H     -5.65154805     -2.27808140      1.77387924
  H      0.42559118     -0.34126774      0.38221699
  O      0.65661360     -2.85497527      2.56862857
  H     -6.85231750     -2.57856923      2.70180061
  H      0.70901046      2.06087876     -0.11268123
  O     -2.34416816     -1.47023622      5.72992562
  H      0.86118876     -2.07780481      5.94693971
  H     -0.81654467      1.98629988      0.10757101
  O     -5.02081500     -2.23888476      0.15838368
  H      1.15497955     -3.58449836      5.90287028
  H     -3.29352656      3.00067956      2.76773049
  O     -0.43392414      1.24452247      3.14356144
  H     -2.90714346     -4.89594551     -1.00654164
  H     -4.35348264      2.01105411      2.25205381
  O     -1.96746160     -3.24319380      1.98330444
  H     -2.40917934     -3.42999393     -0.92028927
  H      1.21472759     -5.79007110      4.50230542
  O      0.15714915     -1.00904687      4.57903462
  H     -0.25738455     -3.05130020      2.30505967
  H     -0.07548999     -4.97762274      4.75415907
  O     -3.70346034     -3.30568007      4.10906593
  H      0.91744229     -3.58645859      3.14125074
  H     -3.97820099      0.02862269      2.68655351
  O     -3.60389379      1.01246226      5.39445745
  H     -1.49612261     -1.30053522      5.29407666
  H     -5.41439722     -0.45026284      2.94685540
  O      0.59357163     -1.26206836      0.15886397
  H     -2.14610556     -2.01675111      6.50032777
  H     -2.95225066     -0.23846999      0.36822385
  O      0.03648115      1.66118398      0.43492056
  H     -4.43740059     -2.96024014     -0.10791980
  H     -3.14599019      0.85117075     -0.69100689
  O     -3.81314263      2.76753666      1.98868204
  H     -4.60229569     -1.43246730     -0.16908830
  H     -2.11526430      3.77632830      4.94180199
  O      0.86635273     -4.90253306      4.51775716
  H     -0.97313774      1.94590824      3.53190539
  H     -2.70332534      2.34968141      4.80335981
  O     -4.85143994      0.32971688      2.98698573
  H     -0.17573513      1.51517148      2.25320797
  H     -1.69778670     -4.52345186      6.22671300
  O     -3.29788320     -0.08396040     -0.52570025
  H     -2.32440841     -3.62699289      1.17344428
  H     -2.48968452     -4.57601265      4.91172441
  O     -2.20972872      3.04855203      4.33392472
  H     -2.60323902     -3.38173981      2.69894729
  H     -0.47195982     -3.12386654      7.36519379
  O     -1.73694817     -4.96816631      5.37016779
  H      0.08498760     -0.13528898      4.17352517
  H     -1.35193634     -3.38451238      8.61297486
  O     -1.38482940     -3.28622861      7.66577183
  H      0.37234839     -1.62748325      3.86602340
  H     -2.74747030      3.37029330     -0.89988958
  O     -2.47298872      2.64220421     -0.34895690
  H     -3.33291992     -2.59562534      4.65453103
  H     -2.97526725      2.71692799      0.48365820
          69
 Energy    -249.91035558402413     
  O     13.54194848     12.50499394     -8.57013836
  H     13.55561610     12.53744306     -7.61707436
  H     11.57914566     13.39781995    -13.65715464
  O     11.60738167     10.39819157    -15.07347212
  H     13.82966575     11.60795645     -8.82299964
  H     13.30814579     14.62705494    -12.24935667
  O     14.19989323     10.02713296     -9.40747542
  H     12.33190771     10.43876886    -15.71636128
  H     13.48912463     13.14977317    -12.69024137
  O     18.41964548     13.37299771    -13.61819506
  H     11.38020326     11.31004538    -14.85095943
  H     11.68888663     13.74345071    -15.72210691
  O     11.46531951     12.49538524    -10.46779337
  H     14.98931412      9.75894028     -9.89122237
  H     11.84248592     13.98321175    -17.23243609
  O     11.83874769      9.70730119    -10.93062454
  H     13.43424936      9.69026567     -9.89064598
  H     15.45338453     11.96953623    -12.73223822
  O     13.42615634      9.49647123    -13.18802092
  H     18.13166239     12.86600650    -14.39989594
  H     14.27698254     11.08248445    -13.25589302
  O     14.60485593     15.87783805    -11.85818258
  H     19.33723237     13.59260880    -13.75368823
  H     16.57777562     12.55970717    -15.91840635
  O      9.89615607      9.56379686    -12.89559805
  H     12.03583119     12.54859261     -9.69127458
  H     17.16467947     11.14103216    -15.80047851
  O     14.85881506     13.29914074    -15.68178177
  H     11.92883552     12.99346058    -11.15848749
  H     17.41982022      9.24917839    -10.24882333
  O     13.93170839     10.64876659    -16.55567468
  H     11.71841566     10.64799218    -10.74423445
  H     16.83186244     10.42134418    -11.06870281
  O     10.88928438     13.04124028    -14.23863262
  H     11.11370507      9.46587368    -11.52633024
  H     16.32474534      8.74898461    -12.50700990
  O     12.82626422     13.81822720    -12.45559321
  H     12.93357823      9.50471801    -12.35753011
  H     15.03618038      8.71260048    -13.33713708
  O     12.31195458     14.03949886    -16.40308737
  H     12.79370437      9.70703664    -13.88816261
  H     16.80361236      8.69439944    -16.40411837
  O     14.64991239     11.97353656    -13.26643389
  H     15.19976663     15.67065196    -12.60213966
  H     16.34098554      9.07908668    -14.98129945
  O     17.39694070     12.07678418    -15.74723681
  H     14.58634408     16.82717717    -11.77624226
  H     16.53187743     12.73071481    -11.04401747
  O     16.67006923      9.50606359    -10.78042874
  H     10.35773980      9.68848430    -13.73463279
  H     17.53308715     12.52605486    -12.24118389
  O     15.98627727      8.52568480    -13.38053408
  H      9.50755914     10.42045093    -12.68040089
  H      9.90545558     12.35413642    -11.41478386
  O     16.44767031      9.41407629    -15.88916097
  H     13.99594520     13.64791199    -15.94800283
  H      8.39452557     12.54691906    -11.66666361
  O     16.92818678     12.07480241    -11.64020781
  H     14.75072606     12.80732225    -14.85059985
  H     17.00411007     14.65551653    -13.77828039
  O      9.20422593     12.25667353    -12.07978238
  H     14.20534696     11.56847280    -16.47805598
  H     15.72075141     14.66790368    -14.62720369
  O     16.18348618     15.14094754    -13.92488008
  H     14.72835004     10.13500563    -16.37349377
  H     14.86370207     13.48246964     -9.56256383
  O     15.58709474     13.85069947    -10.08380149
  H     10.15078689     12.82930279    -13.65705337
  H     15.22952227     14.59789794    -10.57794784
          69
 Energy    -249.91003894162557     
  O     -5.37404722      3.48474120      2.28684323
  H     -6.26832437      3.41044056      2.60785607
  H     -3.62084644      5.92958893     -2.16796719
  O     -2.80265249     -2.16558549     -0.90684330
  H     -4.80884343      3.66151645      3.06214784
  H      0.16070461     -0.12655152     -4.15560739
  O     -0.39287976      5.08158823     -0.97329629
  H     -1.84018542     -2.21992900     -1.05061700
  H     -1.04801700     -0.02144488     -3.19309832
  O     -2.86811977      2.50826386     -1.58512028
  H     -3.15632399     -3.03521841     -1.07431426
  H     -1.53395110      2.34548970      3.66253985
  O      1.01977495     -0.83214016      3.93168450
  H     -0.17020666      4.21232215     -1.33060029
  H     -1.86386160      1.20323086      4.64365302
  O     -1.32023495      2.68896790      1.91440243
  H     -1.29961692      5.25584975     -1.25411580
  H     -1.46123796      5.99147206      2.63707043
  O     -1.86033294     -0.58937475      4.28157593
  H     -1.90161201      2.44244157     -1.57153653
  H     -2.07517833      7.15136345      3.45439074
  O     -2.75823455     -0.02760178     -2.83535759
  H     -3.07315706      3.44367072     -1.70517806
  H     -3.54649876      2.00516257      0.00271680
  O     -2.45162643     -0.69860182      1.47412910
  H      1.55380793     -1.58495833      4.17318798
  H     -4.37577126      2.27541697      1.31713958
  O      0.33577810     -0.78298261      1.26294659
  H      0.85836352     -0.90027730      2.97615875
  H     -3.16203730      4.86757899      4.00206258
  O      1.12789045      1.99213838      4.46592202
  H     -2.18043339      2.47346606      1.53376653
  H     -3.02545014      3.42579014      4.55276615
  O     -3.17807887      5.29582184     -1.61041088
  H     -1.12905137      3.62583340      1.78304908
  H      0.05479325      1.59782834     -2.26029370
  O     -0.07497089      0.01569344     -3.24257860
  H     -0.91369361     -0.77488645      4.27917779
  H      0.39324500      2.14165198     -0.84493328
  O     -1.68938537      2.15458849      4.60074509
  H     -2.15947706     -0.73061519      3.37389870
  H     -4.58530786      4.91151027      1.33488388
  O     -2.27545640      6.30223556      3.06880009
  H     -2.94188378     -0.70038909     -2.16832403
  H     -3.46855869      5.92851352      1.64094262
  O     -3.69951370      1.71706037      0.91436896
  H     -2.98337583      0.82797851     -2.44690304
  H      1.62732223      2.42163410      1.29116449
  O     -3.66846150      4.09492100      4.27947369
  H     -2.93409863      0.12777159      1.33080664
  H      0.14366753      2.04617284      1.22348405
  O     -0.06891371      2.35026406     -1.66906872
  H     -2.67892539     -1.27479195      0.73376152
  H      0.20829039     -1.67519165     -0.39175516
  O     -4.02287586      5.58345363      0.93088385
  H      0.67648192      0.10011461      1.05920758
  H      0.06571836     -1.36746056     -1.90393938
  O      1.01014821      1.84540054      0.82872650
  H     -0.62732937     -0.71025006      1.34892314
  H      2.96086794      4.03669633      2.90701913
  O     -0.10682747     -2.03710167     -1.23087249
  H      1.20568567      1.04046197      4.32824294
  H      1.77477499      3.13825809      3.33116532
  O      2.09875957      3.73662971      2.63253321
  H      0.20213717      2.13920696      4.70069861
  H     -0.15913413      5.25874600      0.76570066
  O     -0.16174662      5.23137493      1.73605325
  H     -3.50686936      5.43790102     -0.70406238
  H      0.65734709      4.81834133      2.03530282
          69
 Energy    -249.90890466579594     
  O     15.94991123     12.76301925    -16.60520330
  H     15.64613990     13.62577463    -16.87531960
  H     16.41227859      4.14504160    -15.96898269
  O     15.19746310      6.32267354    -14.11945629
  H     15.24158164     12.37894242    -16.05949727
  H     19.13227767      5.76652655    -13.07029150
  O     17.86755703      8.63346136    -11.63394695
  H     15.64649461      6.14502720    -13.28274762
  H     17.80623432      5.21867151    -12.51532222
  O     18.69889822      5.90203337    -17.27259560
  H     14.49445091      6.95804991    -13.92556570
  H     18.54699617     10.36390544    -17.61942229
  O     16.03687300      5.98225578    -18.46466355
  H     18.68816496      8.24040435    -11.95418746
  H     20.05593030     10.54541793    -17.90057783
  O     15.67902061      9.52691571    -10.11095388
  H     17.63860635      9.30710404    -12.29374123
  H     16.30968999      7.51901431    -14.86400967
  O     13.38473358      8.33087270    -13.50450297
  H     18.58758117      5.12052377    -16.71486497
  H     17.68787030      8.04187767    -15.41554043
  O     17.14483965     10.38773230    -13.60713416
  H     17.87397166      5.99907525    -17.76133363
  H     14.07854120     11.44428338    -14.18424682
  O     18.19702104      3.74981353    -15.48230161
  H     15.84967968      5.45915098    -19.23950503
  H     13.53969760     10.85786089    -15.50545626
  O     14.03973475      7.27050485    -10.85397880
  H     15.79818858      5.43676868    -17.69208172
  H     13.67475699      8.91311400    -16.71015824
  O     19.50185870      7.94758745    -15.69138230
  H     16.50302161      9.22323712    -10.52415567
  H     12.13951920      9.09192526    -16.73695553
  O     15.57516361      4.54969357    -16.22934331
  H     15.91273859      9.84142469     -9.24067903
  H     19.89163729      7.66483676    -13.98924329
  O     18.53837391      5.00784155    -13.10929190
  H     13.81039957      9.13119308    -13.16466406
  H     20.97456486      7.51307511    -12.89797007
  O     19.43407297     10.29401265    -17.22224575
  H     13.07418221      8.55513433    -14.39011566
  H     15.58553854      6.36865014    -11.25625169
  O     16.76091520      8.27014222    -15.27333305
  H     17.64110848     11.07128466    -14.07579570
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  H     18.57978364      2.87912300    -15.41609193
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  H     13.61077882      7.54906126    -11.67177586
  H     18.86937815     11.59862210    -15.89478413
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  H     17.60877222     12.47060719    -15.72227584
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  H     19.33413822      7.21390588    -16.30522439
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  H     15.41385754      7.64640103    -17.95918808
          69
 Energy    -249.90870026627755     
  O      0.62408369      0.01642425      2.93512619
  H      0.87932279      0.88040402      3.27879399
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  H      1.22091144     -0.20737573      2.20592300
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  H      0.79474498      3.19057457      2.14970019
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  H     -0.96059300     -1.31391086      5.28627320
  H     -1.69137574      1.16771686     -0.90922113
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  H     -4.37434854     -0.89263040     -1.20074452
  H     -3.23950666      1.02429011     -0.76203703
  O     -4.31995658     -2.95164798      3.49939553
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  H     -2.09340441      0.53265171      1.16079898
  O      1.10450172      2.61616135      3.89018161
  H     -0.33930129     -2.34269910     -0.27158346
  H     -1.04352917      0.08145470      2.24528976
  O     -0.27785647      0.55696515     -1.71533721
  H      0.50327368     -2.87386974     -1.45183723
  H     -4.72704612     -2.68505440      0.03293863
  O     -5.62209390      1.66022572      3.10826942
  H     -4.05876886      2.76713037      3.25841047
  H     -3.19609615     -2.60733763     -0.14135923
  O     -3.77062124     -0.25596489      3.95636380
  H     -2.89449823      3.49620551      2.55263904
  H      2.17735601      0.29489826      0.24464338
  O     -2.16382065      3.85061630      0.84633781
  H     -4.16843408     -2.02673916      3.74033141
  H      1.63223897     -1.14526402      0.16179407
  O     -2.15481864     -0.09887104      6.14350249
  H     -3.45154462     -3.36990747      3.48870083
  H     -1.97700596      2.73724915      4.58965097
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  H      1.76773946      2.94442135      4.49037194
  H     -1.51720084      1.61443335      5.56101414
  O     -2.45975235      1.45125475     -0.38793089
  H      0.26126818      2.60026094      4.38095362
  H      1.48136760      2.48662012      0.02245009
  O     -1.94462539     -0.04918369      1.91589349
  H      0.50372516      1.05834463     -1.44788206
  H      2.61154517      2.49586393     -1.03350075
  O     -4.03262688     -2.48033882     -0.60691774
  H     -0.07672537     -0.36870997     -1.53183019
  H     -1.27115514     -4.73461354      3.69357295
  O      2.13274436     -0.54225746      0.72496857
  H     -6.45292105      1.99293506      3.43729107
  H     -1.18933139     -3.19990383      3.86693023
  O     -1.24147960      2.43811515      5.14595341
  H     -5.82774620      1.13131489      2.31673586
  H     -1.61238811     -3.17058629      1.66828994
  O      1.93886848      1.94366992     -0.64512725
  H     -4.46495804      0.38934822      3.78011454
  H     -1.79301592     -1.69460277      1.24590559
  O     -1.63120372     -3.91359930      3.37026323
  H     -3.12078579     -0.16777579      3.24090586
  H     -6.72166855     -3.38110172      1.51191130
  O     -1.65105842     -2.58924205      0.89955596
  H     -2.31328812      3.02240259      0.35798479
  H     -5.41791365     -2.87811981      2.17528200
  O     -6.00529243     -2.76120023      1.40680127
  H     -2.48007549      4.55909185      0.29109471
  H     -5.69065477      0.15439180      0.14446351
  O     -6.13442404      0.06094416      0.99550252
  H     -2.79748692     -0.15939291      5.41495471
  H     -6.16354954     -0.88758668      1.17382504
          69
 Energy    -249.90825999094511     
  O     -1.58324850      5.94382356     -0.81302410
  H     -1.62713820      5.03330435     -0.49536682
  H     -2.26636240      3.74475478      4.82493775
  O     -5.16938813      3.71907942      6.26984839
  H     -0.84629790      6.38050600     -0.36504624
  H     -5.34760734      9.63560003      2.04693109
  O     -4.78180243      7.50640589      4.51906279
  H     -5.10743396      4.61515610      6.64825844
  H     -6.08508614     10.48350516      3.10856080
  O     -3.09043056     10.05912048     -1.50333383
  H     -5.78604416      3.23156201      6.80851292
  H      1.21130928      7.66973629      0.57322428
  O     -5.08293309      4.86503651      3.69827592
  H     -5.13168870      8.25834740      4.02746291
  H     -0.21830684      8.26864563      0.63553087
  O     -6.68826034      7.23300887     -0.74995119
  H     -3.84200712      7.68989837      4.66396115
  H     -5.83889127      5.69119192     -3.40005608
  O     -3.61118270      6.85101750      0.95203438
  H     -2.99139375     10.71088497     -2.19158207
  H     -5.83012108      6.38912558     -2.02160670
  O     -2.07742642      3.39590972      0.27532810
  H     -3.05543427      9.18576761     -1.93505149
  H     -2.27849889      9.50776951      3.81009617
  O     -3.00866604      7.56761024     -2.55623038
  H     -5.24201643      4.37466875      4.51313274
  H     -3.49484624     10.10753190      3.08986826
  O     -2.06634669      7.96701871      4.93350027
  H     -5.00102100      5.79921156      3.94419096
  H     -3.81828552      6.33316413      7.22984462
  O     -5.95191083      5.30573245      1.11520310
  H     -6.23332306      8.01858094     -0.42322545
  H     -4.93331754      6.81388248      6.28317360
  O     -2.34458939      3.78482393      5.78540656
  H     -6.62961787      6.57973458     -0.03692667
  H     -3.43542082      4.27697660      3.13079755
  O     -5.42862236      9.79984111      3.00199353
  H     -3.04338057      6.55535246      0.22850652
  H     -2.03347223      4.89165732      2.88472148
  O      0.29221063      7.43536682      0.65870715
  H     -4.38857627      6.27760637      0.98512416
  H     -4.78504766      4.39587450     -1.49525891
  O     -5.28103996      5.88898361     -2.65184378
  H     -2.24435100      3.54854284      1.22018694
  H     -3.82839502      3.60426238     -0.55572344
  O     -2.53193459     10.07900456      3.07428655
  H     -1.65112617      2.54481602      0.20817784
  H     -1.28385344      6.02103084      7.79511314
  O     -4.76979672      6.28193629      7.07376186
  H     -3.80052077      7.03291156     -2.69314939
  H     -1.97500830      5.28915284      6.62034959
  O     -2.51655640      4.05203694      2.92423809
  H     -2.39331162      6.99275886     -2.08125472
  H     -1.83836137      9.84649700     -0.06160820
  O     -4.75458969      3.74917748     -0.77843357
  H     -1.74424570      7.45523655      4.17507756
  H     -1.68119671      9.83587463      1.48669338
  O     -1.89658408      6.14644224      7.07542620
  H     -1.90374319      7.43424472      5.72103067
  H     -4.42942757      8.39849771      0.61889775
  O     -1.23637029      9.61785401      0.65421572
  H     -5.62544249      4.61190912      0.52081788
  H     -4.42265643      9.65775789     -0.26892756
  O     -4.94540660      9.18942975      0.39270537
  H     -5.79972297      5.02797007      2.02696597
  H     -0.71913997      6.82485622      2.09194320
  O     -1.46254659      6.57682227      2.65395830
  H     -3.27118939      3.59593753      5.98252181
  H     -2.26596228      6.77932255      2.14736746
          69
 Energy    -249.90774645278117     
  O     12.60677661      5.70386837    -15.61254357
  H     13.15320433      5.10770413    -16.15586411
  H     19.14787047      1.54432175    -16.29506999
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  H     11.70395254      5.58729263    -15.89508639
  H     18.71240311      5.91893858    -16.57682429
  O     18.37824336      3.87571306    -18.33850884
  H     17.34834066      4.35438330    -12.35480515
  H     20.24434123      6.15891235    -16.55799581
  O     15.90902845      5.22048541    -19.03245247
  H     18.05929909      5.72801289    -12.53524776
  H     16.59379922      6.26205444    -16.23706290
  O     15.11154138      7.45829189     -9.96593288
  H     18.90538222      4.65328826    -18.10668429
  H     16.76307514      4.86024731    -15.55546792
  O     13.82015532      5.38839977    -13.11139555
  H     17.52340924      4.22242176    -18.61962171
  H     14.50177427      8.12807646    -14.57546703
  O     17.72150506      7.24097235    -13.45285431
  H     15.63437705      5.39383253    -19.92988282
  H     13.60366885      7.32400095    -15.54245960
  O     16.18391664      3.12504921    -15.29374073
  H     15.91659980      6.07785251    -18.57352577
  H     14.35859046      3.88481747     -9.96891378
  O     13.31775642      5.25051767    -10.35138635
  H     15.80552614      6.78396440     -9.85353717
  H     14.72723670      2.56601369     -9.24662556
  O     21.36492191      6.29314977    -15.11131269
  H     15.21710908      8.08049589     -9.25112603
  H     19.44364556      4.29062266    -13.41825761
  O     14.23130253      4.07835110    -17.02321733
  H     14.28127603      6.23592059    -13.02385311
  H     19.61882364      3.53015584    -14.76202316
  O     18.75751721      2.38843673    -16.08298294
  H     13.31714171      5.42411080    -13.93277509
  H     15.55275346      3.19107280    -11.69468064
  O     19.47348600      6.13805739    -17.13947567
  H     18.42594672      7.84005750    -13.73217549
  H     15.05239381      4.13699239    -12.81040304
  O     17.15632212      5.73499198    -15.65564895
  H     17.51009521      6.69303157    -14.22515950
  H     17.50024904      5.25170882    -10.43813627
  O     14.24918543      8.04138939    -15.50264456
  H     16.04768631      3.08701616    -14.33682986
  H     16.37026167      4.61098493     -9.61650143
  O     15.05644536      3.21265817     -9.86444860
  H     17.03903860      2.72442033    -15.49508716
  H     16.77170705      8.07032154    -17.47114439
  O     20.04896670      4.14488471    -14.15778216
  H     13.77843245      6.06311919    -10.10714565
  H     15.35198654      7.81591625    -16.84788248
  O     15.73077657      3.47628532    -12.59838610
  H     13.28817472      5.25885914    -11.31830010
  H     16.06853199      7.69008190    -12.98450787
  O     16.89835608      5.41442361     -9.70078601
  H     22.29833026      6.20498807    -14.94057124
  H     15.06641768      7.83667184    -11.81403795
  O     15.99472105      7.49941919    -17.50305690
  H     20.93205918      5.51743276    -14.70855249
  H     20.36181698      7.91729701    -14.80822753
  O     15.12861149      7.80610958    -12.77662528
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  H     19.35321496      8.81602137    -15.55780731
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  H     14.74765514      4.38214513    -17.77818461
  H     18.95585095      7.82275183    -17.44055487
  O     18.56823465      8.71432375    -17.40468340
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  H     19.00383803      9.23188069    -18.07808905
          69
 Energy    -249.90753752253272     
  O     10.60213453     10.18635726    -11.10621051
  H      9.80970023      9.96785834    -10.62287468
  H     11.51853748     11.50594129    -17.79372156
  O     14.59021812     10.86158660    -12.60891986
  H     11.21622783     10.59579797    -10.47052921
  H     13.74245960     14.51255950    -15.55949948
  O     17.03807973     13.15747247    -13.96779118
  H     14.37749122     10.09062122    -12.07268321
  H     14.73263732     13.34863446    -15.71828079
  O     10.92124166     11.86176647    -13.34088780
  H     15.50917833     11.09011408    -12.41481425
  H     17.63769605     10.65005978    -15.80888381
  O     12.15931268     14.90668866    -16.48653644
  H     16.25401483     13.63030573    -14.26568652
  H     18.68982999     11.43543252    -16.62931811
  O     15.16397167     11.97209596    -16.85210403
  H     17.37907173     12.68666444    -14.73993240
  H     13.53308304     13.66964994    -11.08474538
  O     14.64767976      9.74508347     -8.80725697
  H     10.70523751     11.34293762    -12.55648507
  H     13.54595242     14.65732830     -9.89529741
  O     13.29126962     13.21236662    -12.78049105
  H     11.69729542     12.39704383    -13.12326353
  H     17.11568136      8.87641249    -14.23778391
  O     14.31571193      9.94743277    -15.20560157
  H     11.76530720     15.73539493    -16.74545875
  H     16.03914001      9.25252093    -15.27113389
  O     17.19719741      8.62717993    -12.33889005
  H     11.43401287     14.34018916    -16.16722316
  H     15.30146418     12.75389005     -9.75657292
  O     12.37735430     11.31744262     -9.42460204
  H     16.12398996     11.89362963    -16.81946012
  H     15.62472700     11.33394125     -9.25635893
  O     10.77392342     10.95476264    -17.49249999
  H     14.81623868     11.23622903    -16.32460176
  H     11.24935219     10.00506206    -15.94565378
  O     14.48362080     14.07142263    -15.12431908
  H     14.80699158      9.15187135     -8.07773988
  H     11.35875033     10.46992995    -14.48006933
  O     17.86123662     11.52786819    -16.16750395
  H     14.62856536      9.20131760     -9.61381298
  H     12.60878145     13.48727416    -17.73830233
  O     13.68834131     13.74336953    -10.12793780
  H     13.67246014     13.61144849    -13.57331865
  H     13.67834962     12.38823052    -17.86247395
  O     16.99465350      9.15722841    -15.15174410
  H     13.72374822     12.34777494    -12.68249041
  H     11.64321204      8.90020050    -12.05457778
  O     16.02631099     12.13108545     -9.62410476
  H     14.44985160     10.29024132    -14.31010891
  H     12.02967552      8.61596858    -13.51147340
  O     11.57208293      9.73711723    -15.07607102
  H     13.36833842      9.77974583    -15.28163242
  H     16.94926844     11.69391906    -11.08522026
  O     12.79508955     12.64189140    -18.16383785
  H     17.31160017      9.57890683    -12.16662035
  H     17.28463564     12.05073813    -12.58632210
  O     12.23822683      8.37197522    -12.60278544
  H     17.96332324      8.19030370    -11.97429299
  H     10.24683735     12.42089067    -16.33957586
  O     17.24689333     11.33395428    -11.93506594
  H     13.10838268     10.76751072     -9.11675579
  H     10.32641071     12.76672274    -14.84178941
  O     10.22192482     13.15934483    -15.71907120
  H     12.75223334     12.19043183     -9.59216247
  H     15.38511155      8.30281781    -11.68527866
  O     14.56995407      8.41607320    -11.18134203
  H     10.31201766     10.66775984    -18.27559542
  H     13.80111873      8.20769473    -11.73553283
          69
 Energy    -249.90745743896468     
  O     -0.18129004      3.94509922     -1.44715099
  H     -0.30788702      4.49384621     -2.21619767
  H     -0.42024591     -1.23765712      2.11082238
  O      2.19577429      4.35686389     -0.24890142
  H      0.70091612      4.15647335     -1.08796295
  H      2.89179996     -1.28830233     -0.34074253
  O      3.13169447     -0.42834990      2.46843239
  H      2.95691944      3.76506316     -0.27858551
  H      3.34412599     -2.75467695     -0.16171391
  O      1.22873000      1.27106017      1.42132774
  H      1.88884884      4.35427649      0.66923099
  H      2.80985892     -0.22558503      4.31329006
  O     -1.59598460      3.65665931      0.98648279
  H      2.49998157      0.21841106      2.11362037
  H      3.05528316      0.96000194      5.26024941
  O      0.55884782      1.22138485     -1.30973926
  H      3.13836882     -1.14591764      1.82846790
  H     -3.54779438      5.59978040      2.70027734
  O     -1.56259242     -0.40509387     -0.75613701
  H      1.22083277      2.19443033      1.70062079
  H     -2.55868653      4.50620620      2.24098896
  O      4.40079003      2.54904481     -0.14279496
  H      1.05968809      1.25295625      0.47056297
  H      0.54340994      2.33746066      4.90912316
  O      4.58742442      1.96353705      2.49901758
  H     -1.23672023      3.77798564      0.09925035
  H      0.06658858      3.79241660      5.12984426
  O     -1.59357450      4.37090581      5.42030880
  H     -1.90178161      2.74053550      1.06445216
  H      0.82608372      0.33809084      5.29824243
  O     -2.56531897      1.08885155      1.44478463
  H     -0.22345083      0.65413134     -1.23531689
  H     -0.33261861      0.17091488      4.28534520
  O     -0.54396601     -0.42015530      2.60566396
  H      0.25866384      2.12000519     -1.48459115
  H     -3.81554393      3.10249931      3.43194352
  O      2.73009414     -2.10412592      0.16879862
  H     -1.13938645     -1.14385997     -0.30346964
  H     -3.53551882      1.93364983      4.39166606
  O      2.60034651      0.11234250      5.19486668
  H     -2.07390263      0.07177360     -0.08812566
  H     -2.76752882      1.29702205      6.78074826
  O     -3.06214102      4.83646277      3.00322280
  H      5.26317427      2.82169480     -0.44701211
  H     -1.63153126      1.25640777      5.73651885
  O      0.83137259      3.25935102      4.86699446
  H      4.48414345      2.39017451      0.81418282
  H      2.24127974      0.53752608     -1.41127393
  O     -0.08943188      0.59938806      5.11829817
  H      4.26704686      1.05157095      2.52660199
  H      3.61178124      0.95861941     -0.84728986
  O     -3.96527421      2.15738857      3.55678963
  H      4.29689765      2.36705128      3.32479754
  H      0.00778522      3.89430167      1.86834218
  O     -2.46806127      1.69413859      5.96653030
  H     -2.08705239      4.63318167      4.63339976
  H      0.90753306      3.78715453      3.13778391
  O      3.11843694      0.19918069     -1.17936046
  H     -1.98409102      3.53598902      5.71017135
  H      0.93728904     -2.32850672      0.49727383
  O      0.92275699      3.92277693      2.18200842
  H     -3.19023824      1.38366443      2.12327992
  H     -0.20292898     -3.35809736      0.64046187
  O     -0.00678184     -2.42557599      0.69780103
  H     -1.91814464      0.53424034      1.90240668
  H      2.61128234      3.09516014      5.00657052
  O      3.54995910      2.84556384      5.02456228
  H      0.07898474      0.21615895      2.21699160
  H      3.95950504      3.38090820      5.70003591
          69
 Energy    -249.90715237945005     
  O     -4.50885779      1.20217210      1.62479297
  H     -5.05070852      1.96884953      1.79324300
  H      2.37106865     -0.19100053      2.53267512
  O     -2.35389544     -2.76811535      7.38217744
  H     -4.34983261      0.77933200      2.48612910
  H     -1.43108392     -0.45259039      1.26191518
  O     -1.18953564      0.27120607      4.22403025
  H     -2.05376652     -2.72728305      8.28636117
  H     -1.43018330     -1.93426755      1.76763973
  O     -3.91686835     -0.13086135      3.94628015
  H     -1.61282464     -2.46635147      6.82788785
  H     -3.10976653     -3.31144930      1.98753805
  O      2.10874250     -2.30214838      4.73294526
  H     -1.07997178     -0.24546792      3.40825417
  H     -1.76424052     -3.90776743      2.49434405
  O     -2.96805924     -4.91108822      5.61065046
  H     -0.61235197      1.03838578      4.13213224
  H      1.75988291     -1.55858333      0.47611241
  O     -0.41947795     -1.97932026      5.64771981
  H     -2.98493821      0.07707882      4.10105308
  H      0.68803959     -0.87524906      1.32895632
  O      1.71651785     -4.28385532      2.59642854
  H     -4.25145528     -0.54555617      4.75550013
  H     -4.98913175     -3.12343655      3.29338640
  O     -5.41730074     -4.10661348      4.78637194
  H      2.34920410     -1.44495451      4.34788397
  H     -4.33043458     -1.73608677      3.06959143
  O     -2.11823155      0.82192051      0.15422799
  H      2.10488412     -2.93049794      4.00427959
  H      0.63177853     -3.35087576     -0.36408902
  O     -1.05211850     -3.25969623     -0.75859023
  H     -2.21151405     -4.87029788      5.01224017
  H      2.05305135     -3.74061694     -0.82742328
  O      2.56500100      0.09125566      3.43720849
  H     -2.76686037     -4.29259421      6.32533318
  H      0.55805273      2.21578365      2.55355557
  O     -1.01486014     -1.07122622      1.87806108
  H      0.52599872     -2.08893573      5.46063119
  H      0.88707485      3.17661048      3.71936199
  O     -2.22825363     -3.59129780      1.70700366
  H     -0.69269623     -1.14507658      5.24372293
  H      0.96359825      1.07122907      0.68694244
  O      1.56536330     -0.73747632      0.93737668
  H      2.33137768     -5.01506988      2.59753425
  H     -0.45218196      1.65064201      0.50496509
  O     -4.61007225     -2.54521958      2.61955665
  H      1.66490978     -3.97207430      1.68062252
  H     -3.26810917     -1.19648163     -2.49297692
  O      1.56259814     -3.40726045     -0.08056411
  H     -6.07588636     -4.76953468      4.97341997
  H     -3.69685062     -1.31885213     -1.01248150
  O      0.63763994      2.27783697      3.52218957
  H     -4.55753165     -4.47776717      5.05613904
  H     -5.06928485     -2.44902426      5.74100722
  O      0.43113139      1.86461329      0.83234859
  H     -2.35197861      0.21882108     -0.56388001
  H     -3.90761861     -1.95179098      6.61498394
  O     -2.92684609     -1.22657920     -1.60263301
  H     -2.93432265      1.05572335      0.61559263
  H      0.08394108     -4.34859021      3.53433009
  O     -4.66336979     -1.64889780      6.09600109
  H     -1.60540674     -2.57269482     -1.14533077
  H     -0.68355878     -3.42742180      4.51266179
  O     -0.77200940     -4.21708299      3.95997750
  H     -1.51465132     -3.53695594      0.04662546
  H     -4.98271763     -0.34806988      0.56781921
  O     -4.97618561     -1.23075740      0.17790497
  H      2.01027212      0.86368486      3.58890985
  H     -4.97271261     -1.83235670      0.93436119
          69
 Ord_Energy   -249.907089    
 O    2.24001765      -1.00772130     -0.243624985    
 H    1.45689392      -1.56983745     -0.191554278    
 H    1.96262980     -0.198939338     -0.693712771    
 O   -4.79996824       2.60601544       1.08840322    
 H   -4.08116817       2.00382161       1.32356071    
 H   -4.65313530       3.42367792       1.57916570    
 O    3.10477376     -0.870401680       2.31918788    
 H    2.87755132     -0.907549620       1.37245905    
 H    3.95702553      -1.28590906       2.41582894    
 O   -2.40595865       1.15696192       1.49827504    
 H   -2.10464120      0.639391541      0.740222812    
 H   -1.99978411       2.03164458       1.39229095    
 O   0.428595692      -1.76927435       2.91581774    
 H   0.133239225      -2.04490042       2.03889132    
 H    1.37209749      -1.58784103       2.82620049    
 O   0.406467855       6.00061893       3.22714281    
 H   0.785475731       6.05970526       2.34457326    
 H   0.911102057       5.32411480       3.70590687    
 O   -1.24045873       3.61497951       1.24609721    
 H   -1.39247835       4.02284718       2.10901904    
 H   -1.72715712       4.13476372      0.594669342    
 O  -0.366086751       5.43791056      -1.53279376    
 H   0.259291291       5.68977594     -0.843168259    
 H   -1.25157094       5.56775188      -1.16886115    
 O   -1.28515470      -1.62748098E-02 -0.770359159    
 H   -1.85389602      0.415155351      -1.42503965    
 H  -0.430320293      0.431870371     -0.841408074    
 O  -0.260801762      -2.35328531      0.187020674    
 H  -0.730929971      -1.58454359     -0.178911418    
 H  -0.649680018      -3.12734532     -0.212200701    
 O   -1.12231028       2.69602013       5.36453485    
 H   -1.00705945       1.90118039       4.81656885    
 H   -1.39253104       2.39406347       6.22821236    
 O  -0.173900753       3.16997004      -3.01786757    
 H  -0.222698987       3.99298024      -2.50052500    
 H    8.77883211E-02   3.41929126      -3.90076780    
 O    1.42182899       3.13163924      0.882483363    
 H    1.69621658       2.59876990       1.64071250    
 H   0.470097661       3.29430437      0.986010134    
 O    1.87930584       1.53142405       3.06717777    
 H    2.40789986      0.747409582       2.87424302    
 H   0.979775190       1.22328770       3.24556613    
 O    1.09618986       1.38305318      -1.22575068    
 H    1.30173850       1.99058962     -0.500579476    
 H   0.746037722       1.92969000      -1.93984258    
 O   -4.20630836       5.21869898       2.20060849    
 H   -3.44953990       5.11089373       2.80220103    
 H   -4.81351757       5.81570768       2.63032579    
 O   -1.95873451       4.79787588       3.67837334    
 H   -1.17021906       5.35865641       3.58316493    
 H   -1.75783718       4.11003256       4.32449293    
 O   -2.54631972       1.61766386      -2.54064250    
 H   -1.80231071       2.18893933      -2.76974750    
 H   -3.25793052       2.19791317      -2.24535537    
 O   -4.58492041       3.32240319      -1.51455283    
 H   -4.73544693       2.99653602     -0.608589947    
 H   -5.43996143       3.38350940      -1.93233562    
 O   -2.90280938       5.24224710     -0.335147411    
 H   -3.37972283       5.41057682      0.487657070    
 H   -3.46762609       4.65829134     -0.859686792    
 O    1.57456982       5.84316444      0.554423392    
 H    1.67288578       4.88115978      0.659244537    
 H    2.45196962       6.19542027      0.423300117    
 O    1.45083582       3.84263325       4.63637066    
 H   0.645299494       3.51759648       5.05519009    
 H    1.79674613       3.08399868       4.14912271    
 O  -0.736853838      0.597239971       3.64079380    
 H  -0.392415196     -0.299522012       3.51525068    
 H   -1.38550401      0.745227158       2.93873739    
          69
 Energy    -249.90683555979874     
  O     21.85042146     12.81943797    -16.28720059
  H     21.36596900     13.54109186    -16.72320373
  H     14.46301013     11.76674171    -14.40338603
  O     16.16646045     18.12267235    -15.12174023
  H     22.61094741     12.63050863    -16.83127619
  H     21.22355079     16.27753725    -14.30220962
  O     21.64854931     14.52747364    -13.91367885
  H     15.80691710     19.00004313    -15.22592847
  H     20.05234709     17.26180129    -14.06822446
  O     14.82088454     13.59109701    -14.45850126
  H     16.65382037     17.92456447    -15.94138913
  H     16.55323943     12.11389089    -12.21427777
  O     17.58228472     11.74122908    -17.32327509
  H     21.91655921     13.95945601    -14.64377525
  H     16.05952541     13.23162317    -13.16641731
  O     16.24046736     10.29456845    -12.28424564
  H     20.91275660     14.05875846    -13.49760471
  H     17.47640423      9.62953833    -13.64355067
  O     16.01391208      9.58379815    -16.43532273
  H     15.23872319     13.72583893    -15.32078965
  H     18.58624592      9.90051359    -14.69814281
  O     20.27605590     14.82711279    -17.29645186
  H     14.61409194     14.47647122    -14.12611121
  H     16.32156269     15.61948463    -19.93743354
  O     14.74403291     16.18220288    -13.52674376
  H     17.00485348     10.98559861    -17.15859018
  H     17.46989370     14.83756272    -19.25563009
  O     19.31120751     13.05153474    -13.32165284
  H     17.07102261     12.53381148    -17.10388284
  H     17.54459509     17.58672940    -14.00864048
  O     20.51424291     17.59824227    -17.16993803
  H     15.88049997      9.69958774    -11.63191880
  H     17.84199509     16.65997385    -12.79762891
  O     14.51270248     10.80603842    -14.30011338
  H     15.55251613     10.41810200    -12.96527459
  H     17.39285676     16.92160961    -17.98613599
  O     20.88349029     17.15049255    -14.54686511
  H     15.77966617      8.75279832    -16.84024198
  H     18.60805583     17.61336823    -17.31451016
  O     16.66652846     13.04712348    -12.43397202
  H     16.67430847      9.38549474    -15.74606381
  H     16.79887843     14.71940704    -11.78122544
  O     17.86227555      9.30392682    -14.46543059
  H     20.50168760     15.75617388    -17.42458699
  H     16.82258521     15.73763563    -10.62094203
  O     16.79550679     15.52596373    -19.11552110
  H     19.63278171     14.81971171    -16.57093405
  H     20.44105741     11.68117590    -15.74818887
  O     18.24988545     17.11585858    -13.54470332
  H     15.13667526     16.82292436    -14.13242974
  H     18.94760968     11.48192390    -16.13585997
  O     17.64442272     17.57124802    -17.31877598
  H     15.34842408     16.12693258    -12.77706997
  H     18.38929780     15.70502583    -14.74815008
  O     16.82231634     15.66766797    -11.57254834
  H     19.39783721     12.33686786    -13.96977019
  H     18.75784721     14.21399065    -14.59296099
  O     19.60488336     11.30578430    -15.44629078
  H     18.42757075     12.99291084    -12.93716782
  H     19.32976702     13.98280214    -18.64016827
  O     18.42837449     14.86679589    -15.22423195
  H     21.08797621     18.29541310    -17.47433851
  H     18.35593640     12.79217500    -18.72575278
  O     18.67286518     13.56319626    -19.21372606
  H     20.68747751     17.48678147    -16.21570528
  H     17.01375220     14.45223204    -16.18050377
  O     16.27828728     14.11901552    -16.72059940
  H     14.88308528     10.45280949    -15.11767440
  H     16.27409729     14.63323035    -17.53518999
          69
 Ord_Energy   -249.906754    
 O  -0.432006478      -3.25867271       1.02699578    
 H  -0.409483463      -3.02272606       9.12612975E-02
 H   0.227701396      -2.71197295       1.47284400    
 O   0.497257084      0.588664830      0.542472541    
 H  -0.455580026      0.503675759      0.703469872    
 H   0.733582258       1.47127819      0.853672802    
 O  -0.706854641       2.35238576       4.03952217    
 H   -2.56594308E-02   2.68554783       4.63832235    
 H  -0.643197834       1.38619626       4.05479479    
 O   -5.84163427       1.56173599      0.784826040    
 H   -6.77607012       1.75193155      0.791133225    
 H   -5.62027121       1.22639203       1.67194140    
 O    1.75081599      0.210487261       5.80986834    
 H   0.907195449      -8.46410394E-02   5.43940830    
 H    1.67121971       1.16565847       5.92166281    
 O    1.52215755       3.06507373       5.57822227    
 H    2.09573627       2.98966432       4.79278612    
 H    1.85966778       3.78853297       6.09837389    
 O   0.689425707       3.10845065       1.65277994    
 H   0.106382109       3.42120004      0.943802416    
 H   0.129700884       2.90736413       2.41460609    
 O    1.27432454      -1.37895381       2.24865842    
 H    2.09533548      -1.10558486       2.67471910    
 H    1.07507098     -0.702635646       1.58139312    
 O  -0.484296411     -0.413290679       4.21138048    
 H   -1.37827909     -0.740321696       4.05102634    
 H    8.38774890E-02 -0.801487029       3.53114033    
 O   -3.22991109      -1.68195081     -0.564680159    
 H   -3.34842467      -2.29162884      0.173609957    
 H   -2.45113564      -1.99221420      -1.04683959    
 O   -2.20229673      0.432566375       1.03779495    
 H   -2.62409687       1.29770422      0.974410594    
 H   -2.60621715     -0.156050503      0.386417836    
 O   -4.32128382      0.699077666      -1.49066949    
 H   -4.91177750      0.972794235     -0.779198050    
 H   -4.08858919     -0.220660493      -1.30171132    
 O    3.40003037     -0.190164760       3.67026186    
 H    2.88727522      -9.31462497E-02   4.49260855    
 H    4.26373291     -0.507974744       3.92100263    
 O    2.91852236       2.65437460       3.30029249    
 H    3.13096571       1.71574938       3.23999643    
 H    2.28198218       2.85325527       2.59912372    
 O   -2.10680056       1.99423993      -2.47261739    
 H   -2.91526294       1.57321370      -2.13389182    
 H   -2.34422350       2.40399241      -3.30120564    
 O   -8.28037336E-02   3.95497195E-02  -2.11500525    
 H  -0.745370448      0.709789693      -2.32236099    
 H   0.281700343      0.283610940      -1.25238001    
 O   -3.46042800       3.01027989       1.15125072    
 H   -3.44096637       3.13571668       2.10906053    
 H   -4.34071970       2.68039036      0.932765126    
 O   -3.33984160       3.06881809       3.95761013    
 H   -2.40116239       2.82667899       4.03375626    
 H   -3.49574900       3.76601338       4.58961487    
 O  -0.805143535      -2.51209116      -1.71734953    
 H  -0.498146713      -1.60991037      -1.92121685    
 H  -0.578799605      -3.05556893      -2.46698642    
 O   -3.03717780      -3.41811466       1.68856442    
 H   -2.07835960      -3.42054176       1.50655437    
 H   -3.29278541      -4.32359648       1.83980846    
 O   -2.98943734      -1.07125270       3.21609759    
 H   -3.09042144      -1.95046961       2.83118296    
 H   -2.67661643     -0.500490308       2.49507999    
 O   -1.17713213       3.66287923     -0.291199982    
 H   -1.34162188       3.14965940      -1.08995414    
 H   -2.00567603       3.60602665      0.205423191    
 O   -5.04035807      0.837973595       3.29062748    
 H   -4.54215527       1.58277774       3.64853787    
 H   -4.45236826       7.49230534E-02   3.37035584    
          69
 Ord_Energy   -249.905807    
 O    1.00286472       3.47037268      0.535182238    
 H   0.101808108       3.57509446      0.878775477    
 H   0.908878803       2.89177394     -0.230184838    
 O   0.229122013       7.85915136       2.35936904    
 H   0.557432652       7.26641178       1.65933800    
 H   0.898658395       8.52491093       2.49106884    
 O    3.71995009E-03   1.78122044      -1.50301552    
 H   0.302107483       1.44839478      -2.34452510    
 H  -0.673110008       2.45897293      -1.69087660    
 O   -1.45096457       6.42908049       4.09765673    
 H  -0.804134071       6.95681334       3.61268544    
 H   -2.28126550       6.50706196       3.60741520    
 O   -1.46154904      0.722206473      0.659372151    
 H  -0.933944166      0.322713315       1.36274993    
 H  -0.880171239      0.944570005      -7.97346532E-02
 O   -2.63893032      0.312364757       4.20023727    
 H   -1.75499618      0.176466167       3.84201288    
 H   -2.60473275       1.09731591       4.76347828    
 O   -5.01606846       3.21444082       3.47801614    
 H   -5.17442703       2.27548957       3.32115912    
 H   -4.69838285       3.58802509       2.64327693    
 O   -2.20903778       7.94472837      0.835278749    
 H   -2.89067936       7.66324377       1.45877707    
 H   -1.40860999       8.06954002       1.35999691    
 O   -4.01883173       4.42464495       1.17333567    
 H   -3.10729599       4.10584402       1.27935743    
 H   -4.33448839       4.08355045      0.329718679    
 O   -4.59140205       3.05116272      -1.19649947    
 H   -5.32763243       2.93836617      -1.79091585    
 H   -4.49938631       2.21809244     -0.697442174    
 O   -3.89258122       6.68932867       2.70287609    
 H   -4.53352833       6.52853441       3.40406370    
 H   -3.97310352       5.94290113       2.08809519    
 O   -7.53830075E-02  -9.50601324E-02   2.94770527    
 H   0.459475487     -0.844157100       3.19634748    
 H   0.494217604      0.692084789       3.01732993    
 O  -0.611197531       3.78872800       4.17299509    
 H   -1.33386397       3.38228512       4.66995430    
 H  -0.786202252       4.74019146       4.16884565    
 O   -1.57547045       3.36608481       1.61382341    
 H   -1.26137412       3.44771624       2.52484989    
 H   -1.60596347       2.42917728       1.37779665    
 O   -3.08290076       5.45901918       6.27275753    
 H   -2.44735432       5.90710688       5.69991159    
 H   -3.95065260       5.63590384       5.88891077    
 O    1.36615276       2.18484211       3.04958296    
 H    1.45682156       2.60625315       2.18563986    
 H   0.819579124       2.78458071       3.57788062    
 O   0.929388225       6.25051355      0.296507388    
 H   0.195182636       6.29396820     -0.328392655    
 H    1.14360094       5.31241369      0.379003108    
 O   -4.21044254      0.841423094      0.292070657    
 H   -3.25776505      0.692912757      0.377039313    
 H   -4.58202934      0.672139645       1.16506755    
 O   -5.54443550       5.61738682       4.75433779    
 H   -6.44524956       5.70609045       5.05546284    
 H   -5.46797895       4.73333502       4.35794306    
 O   -5.04790831      0.449203014       2.98920131    
 H   -5.60661364     -0.253613234       3.31011057    
 H   -4.17436886      0.323731601       3.40383387    
 O   -2.92298579       2.85234880       5.37938690    
 H   -3.61649513       2.95230412       4.71313858    
 H   -2.94221258       3.67404580       5.89198112    
 O   -1.88866603       3.66561604      -1.88761353    
 H   -1.75563991       4.59214735      -1.65061021    
 H   -2.81780338       3.46892643      -1.71975839    
 O   -1.45926261       6.41455936      -1.29064798    
 H   -1.81478691       6.93480158     -0.549149454    
 H   -1.47484243       6.99205875      -2.05092573    
          69
 Energy    -249.90531241727382     
  O     16.92827968      9.14266337    -13.53753763
  H     16.30509328      9.19498267    -12.79584472
  H     12.27842428      9.71794424    -12.72735407
  O     12.87850166      6.58841911     -8.80467058
  H     16.74539587      8.30849770    -13.98894946
  H     11.60749423      9.39524840    -10.56400292
  O     17.00679454     11.75671638    -14.26554681
  H     12.33827699      6.46496915     -9.60743658
  H     10.24342744      9.67616921    -11.23888707
  O     11.51531822      6.45368200    -11.13164229
  H     12.51731707      6.01619529     -8.13363032
  H     18.49271379      3.58318174    -11.16101639
  O     16.38643725      6.61754328    -14.52369357
  H     17.00929345     10.79773098    -14.09933823
  H     18.06172928      5.05395118    -10.97218835
  O     19.08504513      8.29310617    -12.01043615
  H     17.33193938     11.88432885    -15.15271536
  H     15.08070614      7.57367350    -10.82599127
  O     19.61306066     10.55452072    -10.42321539
  H     11.89966089      6.04644024    -11.91683873
  H     14.45091795      6.63685707     -9.74691620
  O     17.91798094      6.62730171    -10.07431105
  H     11.30496402      7.36869737    -11.35690937
  H     15.12909378     13.86255349    -10.33144247
  O     12.81055661      5.21027317    -13.35490260
  H     17.32853268      6.39727152    -14.46715133
  H     15.02141110     12.77020157    -11.42264407
  O     14.49478831     12.31114503    -13.01100328
  H     15.96903308      6.06667368    -13.84855347
  H     19.22250960      6.78066177    -13.19702536
  O     13.67447979      7.61823972    -14.66016245
  H     19.41965243      9.03674533    -11.49473370
  H     18.76897510      5.31943550    -13.09491192
  O     13.04292956      9.91900095    -13.28244448
  H     18.37517905      8.64843132    -12.56478605
  H     14.32216858      9.43183713    -12.11511114
  O     11.09363581      9.26869709    -11.38285502
  H     19.05552820     11.21959911    -10.86624262
  H     15.09238214      9.69847068    -10.77381360
  O     18.03441908      4.30240873    -11.58831393
  H     20.39841897     11.00610158    -10.12665287
  H     17.17214948     12.60680802    -11.19880862
  O     15.16981466      6.71507331    -10.38437502
  H     18.29476377      7.21305205    -10.74838378
  H     17.74133265     12.21076802    -12.57324674
  O     15.42840405     12.98756773    -10.56377057
  H     16.95188374      6.68249818    -10.13419203
  H     16.00217104     10.17049962     -8.96035869
  O     18.97174180      6.01550566    -13.73141815
  H     12.48988091      4.44555692    -13.82763692
  H     15.28435319     11.44668910     -9.53647183
  O     15.06799825      9.15066303    -11.56898118
  H     13.70730060      4.99345235    -13.04989079
  H     15.24577956      5.55320664    -11.70075086
  O     17.97830206     12.31939606    -11.64427799
  H     15.28197299     12.18375627    -13.55477066
  H     16.23795913      4.51757904    -12.25805041
  O     15.14323845     10.55438061     -9.19493361
  H     13.91685351     11.55659060    -13.18614469
  H     18.30815064      9.77232028     -9.28923184
  O     15.39075383      4.93994738    -12.43939530
  H     13.26351316      6.82835194    -14.28863093
  H     17.72086806      8.38363599     -9.00584434
  O     17.58720501      9.32051264     -8.83214983
  H     14.58956740      7.36955887    -14.83487557
  H     13.43098494      9.86133318     -9.03377931
  O     12.57427292      9.42194049     -9.11836794
  H     13.20785117      9.15657112    -13.85850627
  H     12.70930695      8.50576018     -8.84784384
          69
 Energy    -249.90509180785969     
  O     10.82265282     10.53216816    -15.81574625
  H     10.93906941     11.27051355    -15.20214358
  H     19.58882300      9.54128079    -16.16578237
  O     14.88899396      7.10756904    -11.98553213
  H     10.78721695      9.73263984    -15.27801979
  H     16.59588574      9.54207230    -10.68652138
  O     16.37929876     11.58306472    -14.06676008
  H     15.58355280      7.61361275    -11.54987657
  H     17.53421711      8.42493590    -10.17055990
  O     12.38686269     11.11090441    -17.95807247
  H     15.24553678      6.87945637    -12.85272007
  H     17.31045048     10.84110430    -16.74117727
  O     13.72783568     10.79609619    -13.74466017
  H     16.75493378     10.72003581    -13.83993354
  H     15.81732388     10.62202349    -17.07104752
  O     13.84824856     14.49093947    -12.22456634
  H     16.39055278     11.63673932    -15.03121824
  H     11.45123736     12.77345224    -13.17268466
  O     12.26463151      8.08630241    -11.88912434
  H     11.81428800     10.86087865    -17.21077210
  H     12.05002568     13.39244706    -14.46355035
  O     13.27164232     14.69790350    -15.01026950
  H     11.81416147     11.23342763    -18.71057194
  H     15.92840914     11.81270510    -10.77176451
  O     16.81215111      7.59201170    -17.23920550
  H     13.06269830     11.45301087    -13.98545619
  H     14.74507848     10.86557759    -10.46706442
  O     13.01291845     10.69057866    -11.06794804
  H     14.60501432     11.17965100    -13.86422843
  H     11.34751587      8.10717791    -13.35862419
  O     15.85511806      7.07917375    -14.67653313
  H     14.73132650     14.12961719    -12.07973899
  H     10.25796838      7.42249593    -14.21403795
  O     18.63639449      9.59579124    -16.15536579
  H     13.75845532     14.62866570    -13.17605662
  H     13.56916565     12.41667739    -17.27866117
  O     17.07974623      8.73802157    -10.94792380
  H     12.38616263      8.92298090    -11.42547480
  H     15.06942979     12.57568390    -16.94912348
  O     16.46491756     11.29912998    -16.81967190
  H     13.13837092      7.66887432    -11.90798408
  H     17.49698796      8.95628372    -12.71792336
  O     11.59575423     12.61474957    -14.11440331
  H     13.07285391     15.52850543    -15.43483128
  H     16.91298006      8.36759930    -14.02517620
  O     15.69963431     10.97515784    -10.35460620
  H     13.66948545     14.12654765    -15.69171507
  H     16.44084162     12.72866952    -12.73212373
  O     10.91626193      8.11160542    -14.23353780
  H     17.51428078      8.21845918    -17.02911508
  H     17.22421182     13.73753409    -11.85919256
  O     14.21477033     13.01782336    -16.88534638
  H     16.06428415      8.12733018    -17.53531086
  H     14.20973787      8.98660734    -16.69828296
  O     17.48731534      9.06717305    -13.67723434
  H     12.47081092     11.48561040    -11.00940073
  H     13.85267769      9.91826709    -17.86139783
  O     16.38831256     13.28367830    -11.93514580
  H     13.29969322     10.63386188    -11.99355715
  H     12.45579821     13.68901352    -11.57138305
  O     14.57242017      9.38455125    -17.50452223
  H     14.98089304      7.48217406    -14.79430883
  H     11.14359029     13.70229422    -10.74619912
  O     11.66153574     13.17060428    -11.34406959
  H     16.23842027      7.03185740    -15.56299882
  H     12.63010072      8.13489819    -14.97431199
  O     13.52757554      8.44332925    -15.13974012
  H     18.35633748      9.40356586    -15.24520123
  H     13.62210848      9.25415171    -14.61636066
          69
 Energy    -249.90497926189147     
  O     13.46688023     11.86492695    -11.14898414
  H     13.01800605     11.04284217    -10.91650582
  H     19.39773828      8.73422365    -15.74518767
  O     14.84656488      7.60950323    -15.23594517
  H     14.34538978     11.82558706    -10.75157509
  H     16.53094970     12.66251564    -12.01865923
  O     18.44218956      7.48853868    -12.58301980
  H     14.27499671      7.10609585    -14.64235131
  H     15.71873766     12.90081153    -13.30539833
  O     18.57569924     12.01468084    -14.50617889
  H     15.04982995      8.43568351    -14.76916319
  H     15.05793730     10.72172392    -13.93469416
  O     12.39994247     10.66947063    -15.54245823
  H     18.47588546      6.70280232    -12.02327906
  H     16.18728397     10.12563119    -14.82137080
  O     15.50223732      5.14231831    -10.51878093
  H     18.05600626      7.20215279    -13.42407829
  H     11.95831982      9.24301309    -11.69376479
  O     13.33380682      6.45650203    -13.24686477
  H     19.17851512     12.73712096    -14.66416861
  H     11.32885165      9.28089686    -10.27944993
  O     16.56364689      9.24787011    -11.60945158
  H     17.88033079     12.36227817    -13.92069952
  H     17.19380993      4.96224598    -14.25015336
  O     14.42169013      9.66671445    -17.09778706
  H     13.09808342     10.34726225    -16.13809493
  H     17.51353368      4.40667610    -12.84923010
  O     14.42901015      3.89437486    -12.88575246
  H     11.67475652     10.94354410    -16.09876169
  H     12.19435777      7.99072355    -13.51020634
  O     17.11063610     10.47073524    -16.35606987
  H     15.08167473      6.01299438    -10.51630606
  H     12.01168165      9.40637266    -14.13359305
  O     19.01305777      8.37832716    -16.56789197
  H     15.05128200      4.63424227    -11.20399893
  H     19.42293776      8.85324092    -13.49674017
  O     16.60312480     12.98566691    -12.92454601
  H     13.57250849      5.52318069    -13.18850941
  H     19.37245324     10.28449538    -14.11762007
  O     15.63696173      9.95574461    -14.04534161
  H     13.70737628      6.87657175    -12.45803106
  H     16.49842712      6.91936862    -15.18122396
  O     12.15210887      9.38681871    -10.74877722
  H     16.22498138      9.53950213    -12.47155674
  H     17.96058948      7.10033030    -15.67869062
  O     17.01365111      4.22298609    -13.65360270
  H     17.28333472      8.63483809    -11.80602727
  H     18.62959657      4.60208429    -10.49554532
  O     11.79410568      8.85839836    -13.37116440
  H     15.29613984     10.07004876    -17.03924613
  H     17.21602663      5.12792377    -10.84195838
  O     19.78413671      9.41497360    -14.19455811
  H     14.50774408      8.80663735    -16.66214773
  H     13.62421217      8.25193319    -10.72392493
  O     17.41032582      6.62148573    -15.04840315
  H     15.33698696      3.96854940    -13.23105182
  H     15.13054534      8.23209691    -11.11637040
  O     18.14168860      5.10071894    -11.14511517
  H     14.14643221      2.99826242    -13.04662552
  H     16.68168133     11.74365903     -9.55771717
  O     14.36658082      7.66997469    -10.92850598
  H     17.71160202      9.74350442    -16.56475631
  H     16.41185690     10.78289639    -10.73941127
  O     16.22491217     11.67158644    -10.39176919
  H     17.63141215     11.11804076    -15.86104901
  H     13.69968489     12.12735752    -12.88400095
  O     14.03043363     12.19486302    -13.79488532
  H     19.73530275      8.22081766    -17.16968208
  H     13.36324274     11.82545206    -14.38463760
          69
 Energy    -249.90238472785734     
  O     18.48273855      9.82016467     -6.37059395
  H     18.57482239     10.41289174     -5.63025661
  H     20.87149641      8.74786893     -7.99438397
  O     17.88698689      5.09371746    -10.04526669
  H     19.32822712      9.84073205     -6.85685028
  H     16.89431734     10.40646975    -12.12743707
  O     18.42539721      5.57261081    -13.62750936
  H     17.27686983      4.93093657    -10.77354311
  H     15.93077751     10.57008199    -13.32828177
  O     18.61682426      8.31114226    -13.00944218
  H     18.09836826      6.04152511    -10.08113062
  H     20.16851423      5.61981756    -12.57080485
  O     16.11494455      5.10383854    -12.19819615
  H     18.44827883      5.10920820    -14.46172460
  H     20.93502512      5.23744562    -11.29258322
  O     21.20806434      8.58787966    -12.10973888
  H     17.59807915      5.31607760    -13.18930713
  H     13.43461117      6.86137228    -11.62044837
  O     20.51483361      6.96105591     -8.44081391
  H     18.47598011      7.41493994    -13.34001576
  H     12.95984928      5.40895737    -11.44309382
  O     13.96897112      4.44586899     -8.52920612
  H     17.79869132      8.81131590    -13.10526721
  H     15.52553085      7.06116821     -8.41384407
  O     18.50325111      7.75457984    -10.19183298
  H     15.38710440      4.52534996    -11.93861344
  H     14.10151479      7.61907228     -8.67654368
  O     18.42019537      6.95237531     -6.48981677
  H     15.81612998      6.01254822    -12.03698810
  H     15.49853095      8.44046881    -11.99262744
  O     17.03586052      9.70273390     -8.75474565
  H     21.35010406      7.63754604    -12.01029602
  H     15.18516622      7.73245826    -10.63804312
  O     20.72239170      9.69467764     -7.86674656
  H     20.37521883      8.64586734    -12.59946214
  H     21.39787434     11.39929038    -10.74637372
  O     16.33000677      9.91981344    -12.75700058
  H     20.74083183      6.07309306     -8.73617091
  H     20.98960691      9.94299182    -11.05408393
  O     20.98743706      5.77814041    -12.08923817
  H     19.90449034      7.31081083     -9.10891390
  H     16.90743720      5.30338865     -8.52377740
  O     12.66155131      6.32547008    -11.39526234
  H     13.35963423      5.18893730     -8.44282949
  H     17.04441830      6.04305829     -7.17486174
  O     15.03982823      7.80522257     -8.79963991
  H     14.79899389      4.73605166     -8.12701979
  H     12.36783935      6.69639543     -9.69640802
  O     15.15838122      7.62822488    -11.59971213
  H     18.63130839      8.02598615    -11.10805872
  H     11.51768976      7.12051794     -8.47301096
  O     20.76140192     10.72529632    -10.52018388
  H     18.03016031      8.45650367     -9.72830869
  H     17.56741284     10.76016439    -10.11399432
  O     16.40188163      5.61570437     -7.76082562
  H     19.19333005      6.85992852     -7.06169736
  H     18.89378303     11.03531044    -10.85224282
  O     12.39298797      6.84932196     -8.73483056
  H     18.36538897      7.89398859     -6.29085769
  H     20.63064041      3.48432550     -9.29435211
  O     17.93597920     11.10037688    -10.94290362
  H     16.25007609      9.14597668     -8.67104314
  H     19.54975520      4.49248507     -9.74968780
  O     20.50713179      4.36677163     -9.63400672
  H     17.44502373      9.78062167     -7.88341138
  H     13.96299609      3.92345648    -10.19202357
  O     13.91761363      3.73594672    -11.14731812
  H     20.75261297     10.09230920     -8.74580319
  H     13.52446754      2.87227450    -11.23871111
          69
 Ord_Energy   -249.902374    
 O   -1.19384778     -0.499718338       2.10544252    
 H   -1.34695995      -1.45135462       2.05488372    
 H   -1.34369254     -0.137225032       1.22458577    
 O   -10.8413019      0.254694492      0.378054678    
 H   -10.3601170       1.00796127      0.765057087    
 H   -11.6198044      0.612435102      -4.04757112E-02
 O   -4.93154764      -1.31150401       1.12075281    
 H   -5.27350187      -2.18042278       1.36925101    
 H   -4.70163774     -0.873935163       1.94890583    
 O   -10.7083893      -1.10361934       2.93638349    
 H   -10.9019823     -0.712184310       2.07523012    
 H   -10.4629622     -0.362020522       3.50324154    
 O   -3.88003755      -3.13402724       3.85864162    
 H   -4.61984825      -3.48581100       3.34359598    
 H   -3.09732318      -3.23974109       3.30407548    
 O   -8.34373856      -2.27617383       2.12940550    
 H   -8.43196774      -2.04835534       1.19346094    
 H   -9.19536877      -2.05434775       2.53224111    
 O   -1.66692424      -3.30919123       2.04684567    
 H  -0.950613439      -3.92012572       2.20302820    
 H   -2.11635828      -3.61143517       1.23895693    
 O   -9.46632195       2.23939419       1.63055253    
 H   -9.57580566       2.02681684       2.56680083    
 H   -8.51732159       2.34821653       1.49608099    
 O   -5.64763975      -4.98175240     -0.414706290    
 H   -6.14179373      -4.34245396     -0.958649993    
 H   -5.90182304      -5.85085249     -0.713830590    
 O   -3.73361254       2.09086347       1.37878692    
 H   -3.38418937       1.94646919       2.26662230    
 H   -4.69180632       2.16622162       1.45772552    
 O   -6.60478783       1.97575915       1.46509933    
 H   -6.79936504       1.32023680       2.15063763    
 H   -6.59654665       1.49279392      0.625103235    
 O   -9.52663898       1.16380775       4.26728010    
 H   -8.66133118      0.766652405       4.06254530    
 H   -9.48490143       1.46350324       5.17134237    
 O   -6.97922325      -3.11597514      -1.84175217    
 H   -6.44820118      -2.46497393      -2.31528521    
 H   -7.70528221      -2.62448382      -1.43547130    
 O   -7.22741604      -4.37497022E-03   3.39043307    
 H   -6.31937742     -0.180127159       3.67675281    
 H   -7.55267715     -0.798391819       2.94600654    
 O   -8.71998405      -1.36819577     -0.481285244    
 H   -9.51846695     -0.858348250     -0.295243740    
 H   -7.99351263     -0.731444299     -0.554213881    
 O   -1.94928312      0.918110907     -0.292365819    
 H   -2.62847900       1.36826217      0.242997482    
 H   -1.38850391       1.60015523     -0.651755691    
 O   -3.29340410      -1.36534059      -1.08052349    
 H   -3.83545613      -1.41366208     -0.275938183    
 H   -2.73089814     -0.589518905     -0.961555958    
 O   -5.29703665      -1.04609072      -2.90900564    
 H   -4.98890352     -0.855285048      -3.79079533    
 H   -4.50913668      -1.19006884      -2.35671830    
 O   -6.44477034      0.198378384     -0.638260305    
 H   -5.93337393     -0.318178713       5.88834984E-03
 H   -6.09914637      -3.21406387E-02  -1.50785840    
 O   -2.42395306       1.22063088       3.78077602    
 H   -1.90709007      0.593765557       3.24113274    
 H   -1.82270992       1.60801005       4.41021395    
 O   -2.94538569      -4.02151299     -0.247777745    
 H   -2.97409964      -3.17596865     -0.715143383    
 H   -3.82625842      -4.40655375     -0.325417131    
 O   -4.60367107     -0.509105682       3.82184482    
 H   -3.85642076       8.52633193E-02   3.95018721    
 H   -4.30593777      -1.41990328       3.97333789    
 O   -5.98124504      -3.71728253       2.07144475    
 H   -5.95101833      -4.26857662       1.27971637    
 H   -6.87589455      -3.35793066       2.16147709    
          69
 Ord_Energy   -249.902191    
 O   -4.30547047      -1.52017701       2.34386683    
 H   -4.67958736     -0.656457782       2.13533258    
 H   -3.66616702      -1.72748709       1.64906669    
 O   -2.60753441      0.575359941     -0.500621200    
 H   -2.31496119      0.922438204      0.359326124    
 H   -3.41381550       1.05379713     -0.717449188    
 O    1.51395738     -0.476480424       3.58504915    
 H    2.20085382     -0.869954288       3.03353882    
 H   0.720448792      -1.01755965       3.45043182    
 O   -4.99833599E-02   4.30799437       4.00132084    
 H   0.117797680       3.41217709       4.34370565    
 H   0.227417886       4.91441870       4.68301439    
 O    1.17580891      -3.68156648       1.61605787    
 H    1.95058191      -3.10574722       1.62929249    
 H   0.536569357      -3.27366114       2.21698642    
 O    3.08611727      -1.56094635       1.42997205    
 H    4.00913334      -1.47868073       1.20264935    
 H    2.58439016      -1.18849003      0.685987413    
 O  -0.168017611       1.29178596      -1.71976745    
 H  -0.138188154       2.24369621      -1.56786609    
 H   -1.04630995       1.01411891      -1.42630124    
 O   -2.14683485      -1.90362310      0.557570815    
 H   -2.31554604      -1.06966472       9.43595618E-02
 H   -1.52700210      -2.40318298       1.36789801E-02
 O  -0.698421776      -2.06593800       2.97157025    
 H   -1.37755346      -2.16061282       3.64987922    
 H   -1.16984415      -1.91006505       2.14107728    
 O   -4.32917213       2.57641768       3.97493958    
 H   -4.78141785       2.07530594       3.28580236    
 H   -3.70337558       1.95647383       4.37466049    
 O   -1.72900915       1.48958588       1.91095328    
 H  -0.770641863       1.45663893       1.78448820    
 H   -1.97274911       2.41071677       2.07272387    
 O   -2.50083494       4.10642147       2.61268258    
 H   -1.72364569       4.27839756       3.15793443    
 H   -3.18923235       3.71633768       3.17319107    
 O    1.24332700E-02  -3.13455677     -0.769096613    
 H    9.55644175E-02  -3.82445574      -1.42166698    
 H   0.436303407      -3.45916224       4.57972586E-02
 O    1.37437415     -0.628623545     -0.574578285    
 H   0.930660188       4.75558192E-02  -1.11199486    
 H   0.891401231      -1.45177293     -0.716859400    
 O   -2.98376846       4.14960861     -0.106859669    
 H   -2.85050249       4.29045296      0.841680825    
 H   -2.10468507       4.13922215     -0.503472686    
 O   -4.84964085       2.29332638     -0.590388954    
 H   -5.38754416       2.57404685      -1.32529879    
 H   -4.20182848       3.00543833     -0.428501040    
 O   0.957765818       4.01367283       1.33214474    
 H   0.665161073       4.25962448       2.21648574    
 H    1.11767030       3.05910850       1.37358069    
 O   0.993831038       1.25949919       1.49055612    
 H    1.21716797      0.750677705       2.28056931    
 H    1.08172858      0.662537813      0.737888277    
 O   -5.53144407       1.04408073       1.82198608    
 H   -5.30954504       1.48741412      0.989024341    
 H   -6.48570395       1.00411510       1.85858011    
 O   -2.96849203      -2.00019240       4.63122034    
 H   -3.53790045      -1.87371635       3.84915113    
 H   -3.44139361      -2.56641650       5.23393250    
 O   -2.28127074      0.735718191       4.55348253    
 H   -2.12138796      0.852224290       3.60386300    
 H   -2.51969504     -0.187801138       4.69192648    
 O  -0.298320025       4.08379269      -1.06343853    
 H    7.69490600E-02   4.77615070      -1.60176575    
 H   0.157924205       4.12422180     -0.203758582    
 O   0.288209230       1.76723731       4.92404318    
 H   0.847539127       1.03761041       4.63619280    
 H  -0.610893846       1.40976560       4.95629311    
          69
 Energy    -249.90196109977745     
  O     12.50272792      9.39066099    -11.32501335
  H     12.77628292      8.84088485    -12.07147507
  H     15.60795331      7.77901386    -11.39927845
  O     13.18915642      7.81705837    -13.48245579
  H     11.82110102      9.99409704    -11.64369323
  H     14.10182178     15.30445241     -8.24192393
  O     10.71471654     11.21657819    -12.36255117
  H     12.32542985      7.39452243    -13.56032355
  H     14.17417464     14.64353318     -9.63889659
  O     14.63796082     10.46252745    -10.02574349
  H     13.24933918      8.55116255    -14.11458673
  H      9.92127883     11.73065508     -9.41126501
  O     15.23593515      7.74478595     -9.47968995
  H     11.42358613     11.67196898    -12.83666989
  H     11.38408355     12.22477271     -9.41672284
  O     12.51821329     15.15515550    -12.86507177
  H     10.57011806     11.68891506    -11.52986154
  H     12.38667089      8.35739686     -9.89256201
  O      8.29228156      8.23014085    -10.20670133
  H     13.88150401     10.15371832    -10.55306232
  H     12.22195633      8.38413471     -8.35462875
  O     12.92630870     12.44920669    -13.50895760
  H     15.07634173      9.66042126     -9.72258209
  H     12.17213410     10.59224917     -7.55251177
  O     14.83621641     14.64397493    -11.24583417
  H     15.69037238      7.14038139     -8.89826715
  H     11.76210919      9.86809006     -6.25239477
  O     10.45885555      6.42547947    -10.53855455
  H     14.28716499      7.65005556     -9.29321159
  H     15.21395095     11.53601653    -11.36097654
  O     11.33403841     14.95042128    -10.42962982
  H     12.01687412     15.11131034    -12.03090396
  H     15.83781059     11.46914067    -12.77394912
  O     15.71916432      7.89530511    -12.34818956
  H     12.20523499     15.92345553    -13.33452336
  H      9.57982000      8.31759608    -13.03768941
  O     13.69737790     14.63632535     -8.78879028
  H      7.36272669      8.01645352    -10.19325196
  H      9.55233277      9.83109710    -12.69424603
  O     10.52892801     12.34428619     -9.84982847
  H      8.49023244      8.56002220    -11.10230333
  H      9.98168671     10.01543821     -8.03890681
  O     12.48445641      7.81738994     -9.09030041
  H     12.74453974     13.39431775    -13.43266740
  H      8.90661226      9.58366701     -9.06706199
  O     11.74432192      9.79260567     -7.20368462
  H     13.74890452     12.29579125    -13.02337033
  H     13.34080766     10.92163377    -14.60715905
  O     15.37654138     12.05532569    -12.16101880
  H     14.15692702     14.92512594    -11.87104854
  H     14.65299162     10.12420312    -14.70447205
  O      9.02213557      9.02194633    -12.68749615
  H     15.16993575     13.80004030    -11.57929258
  H     16.22957634      9.28091998    -13.28469489
  O      9.22513554     10.33137142     -8.54561982
  H     11.16511480      6.72075798     -9.95207458
  H     17.20300744      9.89201954    -14.32015117
  O     13.71237987     10.08747112    -14.91965228
  H      9.69012556      6.96932859    -10.31961963
  H     10.61580175      6.53317270    -12.28957503
  O     16.39892144     10.06470279    -13.83793539
  H     12.05030963     14.98014278     -9.78441414
  H     10.25581613      5.93320084    -13.66927142
  O     10.64503860      6.69618215    -13.24953887
  H     10.86757402     14.12114818    -10.25596473
  H     13.22934678     12.88777463     -8.43204413
  O     12.96162893     11.95979613     -8.43085544
  H     14.86043572      7.69762567    -12.75143375
  H     13.62141291     11.47557238     -8.94857221
          69
 Energy    -249.90151241438397     
  O     17.62798949      8.26826474    -11.76985993
  H     17.87943051      8.83569235    -11.02821899
  H     13.11243361      9.61000363    -16.00270384
  O     11.72508232     10.58380019    -12.75071832
  H     16.86521038      8.68780197    -12.19621277
  H     14.85958646      9.00243190     -7.32257110
  O     11.59464482      8.01704935    -14.01375736
  H     12.35888915     10.29343854    -12.07352665
  H     14.88835991     10.15686468     -6.29393697
  O     16.17106041      6.11453009    -10.87226529
  H     11.07461733     11.12133919    -12.30602495
  H     14.26025679      9.48536350    -11.79875131
  O     18.23123543     10.13968774     -9.80551923
  H     12.04666713      8.16897108    -14.85236534
  H     13.50360782      8.70280878    -10.70564087
  O     19.41374736     11.76338272    -11.77809926
  H     11.53216302      8.87849581    -13.58423714
  H     18.11776641      9.04416652     -8.31988227
  O     15.59287975     11.04534590     -9.67207367
  H     16.44172237      5.93383920     -9.96370857
  H     16.99231170      9.01083240     -7.28048398
  O     12.28705620      5.82317118    -12.60858405
  H     16.75493613      6.81954558    -11.19005209
  H     16.13288850     12.11702413    -13.63778844
  O     17.40124649      9.77163781    -15.80630225
  H     17.32746023     10.48883691     -9.77297925
  H     16.45382995     11.26752221    -14.93060775
  O     15.02340078      5.81172626    -13.49358021
  H     18.74903764     10.74037116    -10.35458838
  H     17.31668373      5.37237368     -7.58768798
  O     15.52564067      7.76321975    -15.34327262
  H     20.23219978     12.24228958    -11.87298697
  H     17.26551100      6.87691772     -7.94122131
  O     13.08343193      8.69909824    -16.35084786
  H     19.40037251     11.08259454    -12.47499830
  H     15.52101428     10.20828171    -13.45374983
  O     15.26130873      9.86729977     -7.12234737
  H     14.88272799     10.59080658    -10.14573270
  H     15.34552620      8.70462717    -13.77953239
  O     13.63599615      9.59109159    -11.06137772
  H     15.47878262     10.79419083     -8.74586169
  H     18.78520770      9.07971703    -13.02010441
  O     17.76053710      8.51704888     -7.59235298
  H     11.63150382      5.14393063    -12.74144762
  H     18.66913710      9.76401877    -14.39360046
  O     15.76004934     11.73039005    -14.44635367
  H     11.99261048      6.60240579    -13.11341701
  H     14.45978281      6.65775984    -10.53908720
  O     16.85811178      6.01151638     -8.12646737
  H     16.80073985      9.01819353    -15.68027952
  H     13.00300449      6.50024005    -11.03124115
  O     15.42005311      9.33563864    -13.05309888
  H     17.68232173      9.74269205    -16.71792832
  H     17.61695834     12.35035618    -11.88462668
  O     19.19226101      9.75165653    -13.58396860
  H     14.09117066      5.73396634    -13.25707899
  H     16.25799995     12.16216852    -11.17444199
  O     13.54505173      6.91823875    -10.35154297
  H     15.50510513      5.76355541    -12.65888365
  H     12.65348314     11.07315989    -14.35730108
  O     16.66664685     12.49085037    -11.98309738
  H     14.68031986      7.98055458    -15.75885820
  H     14.02195603     11.46667470    -14.97046728
  O     13.14311989     11.12522381    -15.18701179
  H     15.40161740      6.97187351    -14.79554055
  H     13.89967114      7.20401163     -8.54924606
  O     14.35985331      7.37197446     -7.71625873
  H     12.70112166      8.74789708    -17.22278530
  H     15.14310412      6.80827256     -7.74209749
          69
 Energy    -249.90113261132257     
  O     13.82533130      6.29648393    -15.71393838
  H     13.03845775      6.85465063    -15.71028363
  H     13.95449092      4.66515063    -12.65004865
  O      9.67989839      7.89149514    -11.71238895
  H     14.52507783      6.79657429    -15.27433152
  H     12.62631404      5.66649321    -11.24546669
  O     16.59694849      6.35004164     -9.99352894
  H      9.86405109      7.16941402    -12.33701559
  H     12.08354420      6.01538145    -12.65848002
  O     12.53148360      2.44964435    -11.47273522
  H      8.73074609      7.98697596    -11.67938856
  H     11.45983530      8.43470692    -14.83029787
  O     13.29185584      8.22291090     -8.01409558
  H     16.57232823      6.03229571    -10.90687417
  H     11.00065494      8.22526028    -16.29373201
  O     18.04680833      9.18380159    -13.65333759
  H     17.50377220      6.63773823     -9.83088574
  H     19.31800811      7.13516906    -10.94768655
  O     11.50414018      9.38357629    -13.37468449
  H     13.30994140      2.83463034    -11.90885503
  H     20.05323990      7.26860617     -9.59132917
  O     16.64458541      5.53983218    -12.66484523
  H     12.75979746      1.55039459    -11.24910627
  H     14.36122320      8.76768156    -11.43888208
  O     17.73126646      9.67448825    -10.99727293
  H     12.47756669      7.96141489     -8.48043097
  H     13.54649563      7.65452524    -12.15638429
  O     12.13148024      4.72373866     -9.77434991
  H     13.02036570      8.59237275     -7.17813695
  H     15.19190762      5.71698648     -8.93696024
  O     11.10520602      7.28465071     -9.30640518
  H     17.90670783      9.43189640    -12.72152455
  H     14.06611687      6.43635453     -8.17090460
  O     14.44318347      3.85964247    -12.88751849
  H     18.45225862      9.93453548    -14.07875614
  H     14.61346545      8.75342220     -9.19767866
  O     12.88061008      6.00940742    -12.11333499
  H     12.37347738      9.25487415    -12.96825132
  H     15.72402296      7.95231918     -9.92015680
  O     11.41094017      7.78449064    -15.55456894
  H     10.86036988      9.05670118    -12.73523152
  H     18.93914564      7.54578339    -13.11907088
  O     19.21415491      7.41304772    -10.01939067
  H     16.29963894      6.26114501    -13.21095099
  H     18.41727414      6.15696856    -12.71491519
  O     13.90589892      8.54940337    -12.26161692
  H     16.02313065      4.80708617    -12.74992513
  H     10.56742272      5.07408831    -13.72790998
  O     14.36414593      5.56587312     -8.46211984
  H     18.30070347      9.03086851    -10.55729191
  H     10.71452723      6.50551222    -14.36454029
  O     15.28941304      8.81795357     -9.88387668
  H     16.86287205      9.57885498    -10.58472927
  H     15.07723093      8.09564445    -13.53319241
  O     19.18859590      6.73781983    -12.65327392
  H     12.18654094      3.86129119    -10.19900595
  H     16.50171201      8.25478083    -14.13040017
  O     10.46653372      6.02383563    -13.56502737
  H     12.94758738      4.87107520     -9.26693807
  H     13.61368036      4.60075686    -15.62495011
  O     15.70656358      7.70875001    -14.16098272
  H     11.28072183      6.33772719     -9.39776734
  H     13.75386871      3.21653291    -16.30467883
  O     13.48976329      3.64193444    -15.49391684
  H     10.62230017      7.54927745    -10.09724281
  H     11.45851085      3.00145065    -13.06283947
  O     11.13240022      3.39719445    -13.87906423
  H     14.23381060      3.68033623    -13.81408826
  H     11.87743516      3.39819965    -14.49434377
          69
 Energy    -249.90084533782419     
  O     -2.68181772      1.00248598      0.88132809
  H     -3.22442860      0.40054181      0.35797484
  H     -2.04077704     -6.02821006     -0.77306401
  O     -3.45678013     -2.32505530      7.60090192
  H     -2.96818929      0.89494196      1.79749300
  H      2.36422293     -0.96877296      3.29477377
  O      1.34404414      0.40927660      3.13398736
  H     -3.67285574     -2.45731414      8.51999685
  H      3.74949334     -1.56764744      3.63469069
  O     -3.53156204      0.10469821      3.46631016
  H     -3.88038077     -3.04892465      7.10364252
  H     -0.72045658     -1.11981000      1.50402351
  O      1.26894802     -3.64302301      4.88184678
  H      0.58168200      0.26891053      3.71337522
  H     -0.86388282     -1.50879251      2.97723686
  O     -4.52239395     -4.21863360      5.97569074
  H      0.97464701      0.54300165      2.25072627
  H     -2.55828691     -4.40004398      1.16888835
  O     -1.19262953     -2.70840187      5.98180450
  H     -3.89885586     -0.61961746      2.94372965
  H     -2.07174842     -3.14219187      1.94174201
  O      0.30892828     -5.97692432      3.93555465
  H     -3.99169017      0.06642797      4.31802084
  H      0.65135396     -2.64181134      1.54020316
  O     -6.17383184     -2.61157269      4.27340540
  H      0.57286508     -3.18950130      5.37345775
  H      2.16031436     -2.60339358      1.81256734
  O     -0.03496450      0.41142331      0.66821581
  H      1.79942462     -2.97390934      4.43467167
  H     -4.11331771     -2.73284441      1.99486026
  O      0.42538334     -5.49224567      1.12982297
  H     -5.12004682     -3.77750976      5.35911090
  H     -4.71826429     -1.63332210      1.10154014
  O     -1.82465226     -5.21484824     -0.32576455
  H     -3.79345630     -4.57563233      5.45043421
  H      1.38484506     -1.66429738     -1.87778392
  O      2.86602042     -1.80185678      3.36437468
  H     -1.56212313     -3.42358996      5.44408490
  H      1.11173262     -2.11249095     -0.42524246
  O     -0.87335908     -1.87706817      2.08396670
  H     -1.84996852     -2.52184687      6.66362108
  H     -1.86315593     -0.16106623      4.15821208
  O     -2.74457553     -3.84325322      1.93320400
  H      0.74019341     -6.69988024      4.38374323
  H     -1.07432490     -1.15121529      5.07682275
  O      1.50901963     -2.90222802      1.16687736
  H      0.71993330     -5.15709748      4.26736348
  H     -1.08011150     -2.21507112     -1.32503785
  O     -4.76332270     -2.01349648      1.98717583
  H     -7.11003254     -2.68534674      4.10420517
  H     -1.94274091     -3.45935948     -1.03443623
  O      0.72659469     -1.64890608     -1.18726555
  H     -5.75495247     -2.39535056      3.42414687
  H     -5.40608959     -1.20645210      5.37450544
  O     -0.97736894     -0.43145268      4.43912547
  H     -0.94684805      0.74212301      0.62577809
  H     -4.34852442     -1.00907773      6.47164960
  O     -1.99151438     -2.52691833     -1.27830156
  H      0.17138744     -0.06109908     -0.14430917
  H     -2.47425840     -4.52028669      3.56387198
  O     -4.84813590     -0.53922694      5.79371222
  H      0.37326332     -5.73351444      2.06284415
  H     -1.43329143     -5.36365898      4.33057955
  O     -2.23070386     -4.83359315      4.44703990
  H      0.94247745     -4.67675796      1.09421183
  H     -3.37351370     -1.55576737     -0.82783548
  O     -4.13229275     -1.00810790     -0.55811538
  H     -0.98914913     -5.36872893      0.15247495
  H     -4.62199425     -0.80971570     -1.35208811
          69
 Energy    -249.90058128900995     
  O     17.37719437     10.07176287    -11.45370442
  H     16.65373702      9.71558834    -11.98696323
  H     18.43606633      3.51542705    -11.91368169
  O     14.03012936      7.00084124     -6.57771795
  H     18.11247685      9.44587732    -11.53131074
  H     15.12504915      6.56998366     -8.06464644
  O     12.24541077      8.29802673     -8.39051620
  H     13.81410250      6.47084303     -5.81512214
  H     15.82525720      7.58261850     -8.99055574
  O     15.36586563      8.71257567    -12.80076225
  H     14.39283335      7.83969411     -6.24036092
  H     18.92723324      5.79251014    -13.07736234
  O     19.44367995      8.23855387    -11.35259160
  H     12.71743918      9.12757621     -8.54415039
  H     19.32190310      7.26396447    -12.90861839
  O     20.91642278      9.84231185     -9.58393913
  H     12.77123230      7.80207152     -7.75256990
  H     16.44118856     12.25753791     -7.24956261
  O     18.31825381      6.28210617     -9.70465004
  H     15.78025434      8.30566998    -13.57183144
  H     17.65549696     13.11781070     -6.84716317
  O     11.77336872      7.51863855    -10.93213020
  H     15.05144942      7.97944615    -12.25194180
  H     16.81095805      7.26252184    -15.72301536
  O     14.62599632     12.00150523     -7.02258663
  H     19.04199578      7.58335329    -10.76227217
  H     17.59024701      7.04254398    -14.40524846
  O     13.04900283      9.99246359    -11.73086000
  H     20.08463200      8.73785975    -10.83249081
  H     16.67999305      9.57294137     -9.87960924
  O     13.78895213     10.55210528     -9.14297600
  H     21.76846269     10.26836830     -9.61274580
  H     16.76115582      9.39921147     -8.31555068
  O     18.24437873      4.44707776    -11.84808403
  H     20.24503480     10.54827405     -9.59250543
  H     18.30474592     11.30282819    -10.37928110
  O     15.65034120      6.63460003     -8.87022415
  H     17.41103609      6.31102690     -9.37237332
  H     18.34095316     11.95112988     -8.97052889
  O     19.06574952      6.60884536    -13.57263662
  H     18.34646956      5.57642238    -10.36424180
  H     16.03520080      9.34010210     -5.95950308
  O     17.40380908     12.33777170     -7.33702327
  H     11.86677930      7.75315576     -9.99075903
  H     14.79960070     10.24030454     -6.05627017
  O     16.70576624      7.21127753    -14.77692823
  H     10.87667057      7.22072787    -11.05616527
  H     14.76035083      6.48797154    -10.44920038
  O     16.20130288      9.28053647     -9.09304020
  H     13.95422252     12.59932550     -6.70411216
  H     13.43525880      6.77675494    -11.22092579
  O     18.89648271     11.65355094     -9.69921639
  H     14.25730796     11.56732238     -7.81254330
  H     20.17440371      8.57964487     -8.37028502
  O     15.08534452      9.36772952     -5.76942694
  H     12.51206322      9.20261259    -11.59149189
  H     19.27185791      7.32099100     -8.37259678
  O     14.36448237      6.53918476    -11.32980256
  H     13.81697750      9.69816993    -12.23734483
  H     17.86147453     10.49914314     -6.84222032
  O     19.62582256      8.01891380     -7.80748519
  H     14.63351080     10.07478450     -9.12335062
  H     18.42777457      9.03476324     -7.01126148
  O     17.66693937      9.56283710     -6.72473690
  H     13.48074526     10.52079205    -10.05958364
  H     16.07477226      5.67328201    -13.76871799
  O     15.89917072      5.02294660    -13.07842166
  H     17.37344648      4.58419078    -12.26325888
  H     15.27392505      5.44689771    -12.47343334
          69
 Energy    -249.90015952384130     
  O     -3.17192278     -1.99196717      1.13455889
  H     -2.41810164     -2.37722602      0.67104747
  H     -3.08554944     -1.06539634     -1.90186830
  O     -1.11717414      4.18462666     -3.10985790
  H     -2.78900440     -1.44232181      1.83130311
  H     -1.47779254      2.49086469      4.72463111
  O     -3.54768297      1.86773214     -0.71634999
  H     -1.17053987      4.63824124     -3.94675500
  H     -2.42615687      2.93327879      3.59675237
  O      1.36194072      1.43129112      2.76447094
  H     -0.23661825      4.37949843     -2.74075674
  H      0.96151123      5.87948356      1.25188750
  O      3.23697929      2.96170278     -0.86740051
  H     -2.76564316      1.71880749     -1.26720978
  H     -0.46348613      6.11052321      0.66185687
  O     -0.19402185      3.03721322      1.12788971
  H     -4.05461328      1.04700839     -0.74232030
  H     -2.43282202      1.28387799      2.17948636
  O     -0.30057638      0.95416650      4.91406776
  H      0.82468950      2.07813419      2.27766768
  H     -3.10234116      2.08482766      1.03074644
  O     -4.62497021     -0.72521511     -0.77812288
  H      1.29019709      0.60570370      2.26852409
  H     -1.23973636      4.77407836      3.96108444
  O     -1.66543851     -0.27349370      2.75071437
  H      4.14806272      2.86249987     -1.13018793
  H     -1.41191999      5.82227675      2.84015539
  O      0.52061414     -0.67068930      1.03256759
  H      3.24301176      3.16888020      0.08394879
  H     -1.28842528      2.36091970     -2.77738749
  O     -2.89369128      4.61603266     -0.89295548
  H     -0.06939359      3.97061465      0.92901985
  H     -0.49483920      1.38645796     -1.87980271
  O     -2.19379109     -1.18224204     -2.25163498
  H     -1.11094673      2.88623940      1.39220171
  H      2.18531747      6.37700133      3.44667048
  O     -2.01689103      3.22967667      4.42145490
  H      0.15487661      0.69413211      5.71070089
  H      0.85431773      5.61673780      3.24207190
  O      0.41695852      5.76536428      0.46248660
  H      0.38239958      1.16550204      4.25551142
  H     -2.53495151      5.68180844      0.43660851
  O     -2.70892702      2.17133162      1.90847385
  H     -4.17815778     -1.18164765     -0.04258320
  H     -2.84491320      7.03210928      1.11693046
  O     -0.83628400      5.56168182      3.56731082
  H     -5.49641586     -1.10498826     -0.84885767
  H      1.77172810      1.79082160     -0.92021863
  O     -1.31643764      1.48022155     -2.38341533
  H     -1.30849096      0.00408271      3.60246253
  H      0.46159929      2.01041810     -0.13757930
  O      1.77106919      5.69970923      2.91858278
  H     -0.90830262     -0.40271592      2.16027085
  H     -1.27113759     -2.15008586     -1.13043778
  O     -2.23701460      6.29744347      1.13018079
  H      0.15911871     -1.44292458      0.57920362
  H     -0.59340566     -3.49990173     -0.79566763
  O      0.90570941      1.40229096     -0.75187290
  H      0.68847756     -0.01234993      0.34176462
  H      2.73998644      4.21767150      2.21913758
  O     -0.84330521     -2.66046442     -0.41893271
  H     -3.29890058      3.74406784     -0.81061035
  H      2.72713007      2.67944990      2.25398869
  O      3.14398145      3.43577591      1.82243239
  H     -2.30936096      4.55980026     -1.65873569
  H      0.99608018      5.20417160     -1.14134100
  O      1.25493704      4.74342360     -1.95357421
  H     -1.86996310     -0.29403564     -2.45296652
  H      1.98160393      4.16402584     -1.70114110
          69
 Energy    -249.89963633365471     
  O     17.57480127      9.60605218    -10.85519728
  H     17.02675137      9.06946858    -10.25595258
  H     12.91059756      8.89224535     -9.26417159
  O     13.93053665      5.87735655     -7.54110422
  H     17.59292038     10.49365912    -10.47965365
  H     18.74681627      4.33742689    -11.11937866
  O     17.40916909     11.97119057     -9.36251826
  H     13.19665809      6.34124860     -7.95977053
  H     19.37850335      3.11377857    -11.81833172
  O     11.93203146      7.32825091     -9.06779776
  H     14.45980259      5.53180275     -8.27432780
  H     16.53715375      5.27940269     -9.75945901
  O     16.09705692      8.54100245    -12.94118345
  H     17.51905108     12.91193870     -9.46920429
  H     15.32503121      5.49220404    -10.71300989
  O     19.59358050      7.76579539    -10.41556281
  H     16.54537254     11.83491087     -8.93138050
  H     19.94942287      6.99656433    -12.05825860
  O     20.18646177      8.29186077     -7.71180725
  H     12.08607209      7.10652662    -10.00393693
  H     19.73643694      5.58989958    -12.65497635
  O     18.36929162      5.33765730     -9.69251196
  H     11.00286582      7.18858967     -8.90363685
  H     16.03438061      9.07468415     -5.96274234
  O     12.48909696      6.99744947    -11.70463886
  H     16.65180773      8.95826977    -12.26612206
  H     15.94039701     10.12642369     -4.83291796
  O     15.10732420     11.41663110     -8.05911626
  H     16.69437841      8.16735456    -13.60214412
  H     18.70186419      7.05167893    -14.01695755
  O     13.60797972      9.57636733    -12.34805649
  H     19.91562656      7.94246972     -9.52272004
  H     18.33024588      7.45965644    -15.46214244
  O     13.53993945      9.58380917     -9.50956339
  H     18.96096619      8.46719304    -10.62558137
  H     15.75146295      7.21292322     -9.51397970
  O     18.96964723      3.95904487    -11.98656289
  H     21.01681871      8.46490089     -7.27577091
  H     15.07692887      8.61694051     -9.35820239
  O     15.58236292      5.42852971     -9.78284576
  H     19.61052529      9.05616899     -7.53115046
  H     17.76949321     10.29867433     -6.66961847
  O     19.90585028      6.50981974    -12.89275601
  H     18.73198286      6.17116432    -10.02305538
  H     18.25689202     10.96065124     -7.97295849
  O     16.11514921     10.02377994     -5.76472538
  H     18.41263761      5.40424332     -8.72697050
  H     15.34753658      6.84801345    -12.53398315
  O     17.95586897      7.26291581    -14.60748215
  H     13.23793629      6.45537756    -11.98836958
  H     15.52966415      5.37319843    -12.95379082
  O     15.92047683      8.14641487     -9.32606837
  H     12.69220164      7.88377577    -12.02589992
  H     17.64237540      6.46651704     -6.77042338
  O     18.53262222     10.38006476     -7.25415659
  H     15.33285411     10.97502691     -7.23090097
  H     19.09058997      6.80772748     -7.17567720
  O     14.97942561      5.96253849    -12.41841569
  H     14.46493917     10.85303117     -8.50996884
  H     16.13582118      7.79303704     -7.55286804
  O     18.47383362      6.07320861     -7.06332920
  H     13.33784238     10.22061104    -12.99790460
  H     15.23862447      6.86667498     -6.73033640
  O     16.00005403      7.45968170     -6.65281632
  H     14.48109289      9.25201906    -12.62498554
  H     17.58435679      4.32708848    -13.26120837
  O     16.90325106      4.65669463    -13.86106591
  H     13.51038354      9.67340413    -10.47129981
  H     17.26105600      5.46425215    -14.24984679
          69
 Energy    -249.89878877820405     
  O     14.74409997      8.74406031    -16.35328797
  H     14.06633466      8.25769504    -15.86910151
  H     15.32468780      3.67594258    -17.14070746
  O     14.43285746      4.95407555    -15.98854055
  H     15.29679425      9.18117945    -15.69462853
  H     20.20960105      5.22486528    -16.83360610
  O     18.30349399      5.87142151    -12.08149489
  H     13.77381545      5.63697053    -15.82840122
  H     19.59447674      4.32244514    -15.75131858
  O     19.74867213      5.76285940    -18.59284979
  H     15.29438327      5.39905621    -15.94551282
  H     17.58565431      7.94994908    -17.86796387
  O     17.17185600      5.23683849    -19.16020323
  H     17.59805310      6.45951876    -12.39241282
  H     18.95693655      7.22346506    -17.78462952
  O     14.20067249      5.77253891     -9.83362533
  H     19.09104647      6.11574106    -12.58194842
  H     16.76735389      6.57285419    -14.74274226
  O     14.63529833      3.82683613    -13.44056079
  H     20.29214769      5.64694814    -19.36698245
  H     17.44494031      6.67426967    -16.14150293
  O     16.29247705      7.38252466    -13.14741820
  H     18.84537779      5.48934957    -18.84032345
  H     11.87708384      7.22282204    -14.98235010
  O     17.94602502      3.51662288    -15.47277213
  H     16.61157269      6.00605951    -19.01364389
  H     13.08033102      6.90170683    -14.06975264
  O     14.05312053      3.03624213    -10.79029527
  H     16.75933441      4.49450519    -18.69453819
  H     16.71672413      1.53225742     -9.73347369
  O     18.92825551      8.96785361    -14.88081287
  H     13.92521687      6.10838966     -8.98503507
  H     15.67540085      2.48569591    -10.36942214
  O     16.06201234      3.24184428    -17.58743959
  H     15.16267180      5.62732475     -9.77836472
  H     21.29056758      6.81618044    -13.56606153
  O     20.27701193      4.99116668    -15.90047414
  H     15.57373478      3.65680274    -13.27770397
  H     20.35246143      6.10270178    -14.56292534
  O     18.37970533      7.84832032    -17.32682417
  H     14.53601562      4.03202157    -14.37913063
  H     17.19517397      2.87502782    -11.93597299
  O     16.92758243      6.09828886    -15.56796514
  H     15.39996830      7.10491126    -12.90695790
  H     17.70906354      4.20615043    -12.54406202
  O     12.82708401      7.13116757    -14.97875896
  H     16.26443860      8.30449977    -13.43194405
  H     17.45764400      5.48356652    -10.43886663
  O     16.62765759      2.34814388    -10.21792515
  H     17.61696758      4.42846379    -15.53069837
  H     16.89326654      4.20790530     -9.78328516
  O     20.37239045      6.71298542    -13.80407510
  H     17.79861853      3.24515719    -14.55813580
  H     13.82326310      6.24687225    -11.57623266
  O     17.31448681      3.35014218    -12.76658752
  H     14.08338832      3.17686689    -11.74681898
  H     14.07854480      5.41609825    -12.85685814
  O     16.85005715      5.17199911     -9.75563725
  H     13.93944534      3.91151011    -10.40059163
  H     17.38139254      9.62554523    -14.52343485
  O     13.80881474      6.29334415    -12.54030411
  H     18.82988107      8.67520459    -15.79960809
  H     16.47484528     10.79162853    -14.05736175
  O     16.45795568      9.88102534    -14.33819299
  H     19.42695018      8.27274962    -14.43730178
  H     15.53049578      8.30319278    -19.36299482
  O     15.90524588      7.81918515    -18.63138566
  H     16.73906035      3.11854992    -16.90835865
  H     15.44133047      8.12560245    -17.83245334
          69
 Energy    -249.89813204668263     
  O     13.32852744     11.44541927     -8.24529110
  H     12.95003201     11.24171898     -7.39333921
  H      9.88263035     13.16323896    -12.82034466
  O     11.01999875     11.23582763    -15.00140383
  H     12.58750426     11.54073951     -8.86490819
  H     15.65343819     13.94548263    -16.16618712
  O     14.43930929      9.49730650    -10.12371714
  H     10.90854527     12.01410068    -14.43725343
  H     16.56984527     14.41060805    -17.32459211
  O     17.93603173     12.58853436    -12.81107907
  H     11.13514417     11.56939391    -15.89988076
  H     13.25305877     14.44259341    -11.19816404
  O     11.47114056     11.68415588    -10.28196486
  H     14.13842541     10.03576455     -9.38222378
  H     13.28364300     13.19391008    -12.11392192
  O     12.09692145      9.40323805    -11.75316238
  H     13.64612048      9.29122807    -10.63438918
  H     11.42269029     14.38129496    -14.86754375
  O     13.31449017      9.92609759    -14.18104394
  H     18.84020292     12.54122504    -12.50911322
  H     11.87441061     13.96258450    -16.27830823
  O     14.68231193     15.44046309    -10.55481453
  H     17.40578743     12.07450010    -12.17749376
  H     14.01472993     11.37880681    -13.44267337
  O      9.62903730      9.76076331    -12.96530684
  H     11.72247558     10.89861254    -10.79195826
  H     15.02371053     11.89776824    -12.37332375
  O     14.65398616     14.28935345    -14.78607616
  H     11.90620783     12.45015432    -10.68738314
  H     16.98082645     12.24324499    -15.91003733
  O     14.23695598     11.71623118    -17.67928993
  H     12.63031187      9.48140693    -12.55708132
  H     17.44278804     11.84594935    -14.48939705
  O     10.59147356     13.50625784    -13.37675853
  H     11.18424007      9.33640956    -12.06923120
  H     11.24791337     12.47152036    -18.30931930
  O     16.19669541     13.63601260    -16.91316353
  H     13.95719990      9.72945679    -14.87303103
  H     12.57623494     12.18196058    -17.56999754
  O     12.69464497     13.76470541    -11.59450669
  H     12.52785121     10.32460812    -14.58290023
  H     15.78764306      8.84040672    -16.37328110
  O     12.04195317     14.60173846    -15.57450815
  H     15.31393562     15.32439850    -11.28784412
  H     16.03265164     10.24054948    -15.75984081
  O     14.36862140     12.17508872    -13.02636047
  H     14.74779022     16.35062102    -10.27903091
  H     16.07522092     12.01066546    -10.39704430
  O     17.16515569     11.48598360    -15.33952276
  H      9.22373977     10.49964391    -12.49660485
  H     15.72031984     10.57126267    -10.84374635
  O     11.64976174     12.45565481    -17.44506378
  H      9.98570507     10.13807216    -13.78043913
  H      8.28385311     12.32998833    -10.83362153
  O     15.34225965      9.62921193    -16.07558245
  H     14.59983090     13.50060873    -14.22594122
  H      9.78720886     11.98115327    -10.91926821
  O     16.21182972     11.36198270    -11.10574037
  H     13.75114739     14.50578510    -15.06024975
  H     15.77522418     14.93314681    -13.44906979
  O      8.98892343     12.14422840    -11.44865207
  H     14.90929843     12.39566423    -17.54526848
  H     16.94531813     14.26003121    -12.70654637
  O     16.33547735     15.00557834    -12.66390060
  H     14.56386207     10.93092416    -17.22449236
  H     15.18396897     13.93316877     -9.49090401
  O     15.50581508     13.09922946     -9.12810597
  H     11.31876060     13.71878778    -12.77310400
  H     14.74751203     12.64276116     -8.74210353
          69
 Energy    -249.89805205036592     
  O     12.27962388     10.65210246    -15.29690075
  H     12.66352285      9.99398984    -15.89537891
  H     20.71772799      8.19665143    -14.24674619
  O     16.04922978      6.69214455    -12.98827041
  H     12.93446810     11.35299426    -15.21669118
  H     14.51855588      8.77417351    -15.00535114
  O     17.17102165     10.68478376    -11.38797496
  H     16.79741216      7.10009060    -12.53138385
  H     15.42343259      8.14902782    -13.88903109
  O     16.63942475     10.79820945    -15.56514355
  H     15.30643924      6.66008932    -12.37091395
  H     11.50415338      9.74913972    -14.02343117
  O     13.41914060      5.93390637    -16.14668011
  H     16.29677793     10.87513410    -11.75554017
  H     10.16216074      9.30564722    -13.39826489
  O     14.14331309      9.28417779     -8.65018724
  H     17.06754536     10.66975305    -10.42811735
  H     17.24938781      8.50983768     -8.88295544
  O     13.83341731      6.84219063    -11.33338673
  H     17.39859890     11.02282731    -15.00555331
  H     17.73724614      7.61609171    -10.03633049
  O     14.67072986     11.04831235    -12.55435036
  H     16.11310411     10.14431188    -15.07645609
  H     11.87788471      7.45769379    -13.66793627
  O     14.89132652      6.51013110     -8.76540464
  H     12.94511716      5.18965898    -16.50745696
  H     12.83331161      6.52118351    -12.91016388
  O     18.06727141      8.14406010    -16.08589988
  H     13.02861838      6.11897461    -15.27307613
  H     18.25374065     11.08833551    -12.89175507
  O     16.26212111      6.11484023    -15.68083514
  H     13.57859576      9.41638982     -9.42275375
  H     19.20543016     10.30438858    -13.81993042
  O     19.83340507      8.47116339    -14.01871788
  H     14.27277445      8.33066002     -8.57397333
  H     18.80034631      8.13817282    -12.49795383
  O     15.08743917      8.97702703    -14.25219912
  H     13.53301208      7.75992332    -11.27130382
  H     17.78279427      8.98875957    -11.69192951
  O     11.10617688      9.18236248    -13.33904249
  H     14.12979509      6.59181009    -10.44955463
  H     15.72319283     10.03095255     -8.62812191
  O     17.35078994      7.58814537     -9.15136470
  H     14.53572767     11.76628823    -13.18130690
  H     16.78680872     10.86433300     -7.87376943
  O     12.36642056      6.62969763    -13.74805554
  H     14.75143170     10.24699097    -13.10016141
  H     16.73605555      8.76658631    -17.88101914
  O     18.66189337     11.09981556    -13.76792425
  H     15.80778009      6.81395688     -8.89669228
  H     16.24505127     10.09534002    -17.30333777
  O     18.12420012      8.09019583    -11.81131283
  H     14.92022312      5.82050695     -8.10811863
  H     12.15183891      9.39400774    -11.80241001
  O     16.64983284     10.33076644     -8.65192416
  H     17.56328463      8.95505407    -15.97002169
  H     13.47791601     10.13371904    -11.54324526
  O     16.01517956      9.39927839    -17.93519334
  H     17.44277138      7.40552271    -15.99302743
  H     14.58298710     13.41832048    -15.31901030
  O     12.86935203      9.48434135    -11.16266152
  H     15.34668054      5.97573801    -15.94597583
  H     15.28514270     12.04572096    -15.27544098
  O     14.49913339     12.53056792    -14.97888869
  H     16.24657205      6.12795983    -14.71224974
  H     13.52152275      7.70741016    -16.64349697
  O     13.65753497      8.66325953    -16.65123214
  H     19.27202781      8.27432910    -14.78837937
  H     14.41258174      8.85671112    -17.22455628
          69
 Energy    -249.89746049007061     
  O     16.71660681      9.81442024    -13.54374241
  H     17.21435995      9.19223797    -13.00019122
  H     12.47361978      6.22039240    -13.18117852
  O     17.29101375      8.24771507     -7.72291616
  H     16.75787405     10.65318056    -13.06769624
  H     13.63860946     12.62449376    -11.05807303
  O     15.26785934      5.67783096     -9.38649450
  H     17.31901007      9.02245544     -8.29914299
  H     13.65709698     11.90064731    -12.42287600
  O     12.01867451      6.74278159     -7.74994384
  H     17.69394956      7.53187182     -8.22837095
  H     14.50544511      6.59161152    -13.46200808
  O     17.99655963      6.09620465     -9.52659449
  H     15.04964581      6.41093678     -8.79490243
  H     14.06908706      7.43091625    -14.66149533
  O     17.74293050      8.20955129    -11.42756641
  H     14.42749425      5.24419965     -9.60035272
  H     15.51213771      7.92189054     -7.48336386
  O     16.80323429     12.12546847    -11.86822205
  H     12.91211483      7.10036071     -7.61914400
  H     14.33043399      8.67371500     -8.11091259
  O     10.49181890     11.15366310    -10.43467291
  H     11.75003055      6.37131735     -6.91275974
  H     13.27870190     10.10994665    -14.02886133
  O     16.89229216     10.26832870     -9.74654020
  H     18.52757034      5.31244278     -9.40899580
  H     11.85525613     10.46785669    -13.43432179
  O     13.14285644      8.68047060    -11.27849318
  H     17.06794201      5.81270998     -9.47903448
  H      9.81236424      8.01492148    -11.15378041
  O     10.87585899      8.50247476     -9.63146390
  H     18.01550193      7.46980185    -10.87131006
  H     10.22014086      7.17398599    -12.36788767
  O     11.90165050      6.30508427    -12.40464497
  H     17.49002992      8.92486861    -10.82392668
  H      9.28220409     10.59276515    -13.71648998
  O     14.14465505     12.52895471    -11.87308578
  H     17.25456550     12.94349894    -12.05770114
  H      9.82940839      9.42256371    -12.86604245
  O     13.93610812      6.57251196    -14.24466281
  H     15.84845706     12.32225017    -11.86772708
  H     12.34951667     13.19629237     -8.89309905
  O     14.56827249      7.83812721     -7.68402873
  H     10.48646648     10.27918769    -10.02089802
  H     11.81905411     12.06392205     -9.80585816
  O     12.80895766     10.51635016    -13.28811890
  H     10.28403834     11.00914380    -11.36407770
  H     12.29299484      5.51329538     -9.29637276
  O      9.61719325      7.87637109    -12.08998209
  H     15.95536200     10.25715013     -9.50519882
  H     12.34993652      5.29370565    -10.83017923
  O     10.02807129     10.31981562    -13.18898583
  H     16.98566352     10.97911824    -10.39374860
  H     15.33640062      9.45147609    -14.56206143
  O     12.62822407     12.48278240     -9.46036151
  H     13.03041627      9.33498806    -11.98264353
  H     14.77757769      9.45483563    -16.00243358
  O     12.70795670      4.98515983     -9.98810320
  H     13.91606574      8.13416724    -11.48577314
  H     13.83022552      9.67739701     -9.93367986
  O     14.53689536      9.28817590    -15.09454290
  H     11.67112830      8.57356287    -10.18019875
  H     13.67304359     10.98201159     -9.11700309
  O     14.15677762     10.14839049     -9.15412492
  H     11.11795690      7.92786734     -8.89654003
  H     16.12203081      7.48316649    -11.78917588
  O     15.26083857      7.04750099    -11.80700202
  H     12.19750199      7.12348287    -11.98630809
  H     15.22819584      6.47538811    -11.02973811
          69
 Energy    -249.89741991662260     
  O     12.33000608     13.83962378    -10.60419891
  H     12.25612214     12.87159053    -10.52846920
  H     13.76480995     13.72263618    -16.50844860
  O     15.68860688     11.37030150    -17.88750607
  H     11.65579071     14.21019239    -10.04020596
  H     11.33667442     13.99857213    -15.78522860
  O     15.50356467      9.19309768    -11.09890467
  H     15.29594621     12.20839039    -17.58005306
  H     12.36952678     14.23098507    -14.65594493
  O     15.25060489     16.17212887    -12.95720981
  H     15.66915791     11.38826680    -18.84011712
  H     18.86858833     13.51267738    -13.17493814
  O     14.88318699      9.72627990    -15.79131961
  H     14.66257826      9.28729908    -11.56864636
  H     18.37798349     12.50176314    -12.12641347
  O     16.18632575      7.26592224    -13.11821927
  H     15.39470352      9.68141373    -10.27367924
  H     13.15932853     10.99135182     -9.70953314
  O     15.36917398     12.64392169    -13.05772098
  H     15.86186204     15.98013258    -12.23793064
  H     12.44201985     10.47834965    -10.96909611
  O     13.01527923      9.42839916    -12.42528389
  H     15.65539018     15.76834493    -13.73802481
  H     17.36532344     11.39093415    -16.92759279
  O     17.34722525      9.32437167    -14.55506225
  H     15.08213004     10.19935351    -16.60927507
  H     17.99481336     10.56010398    -15.79244786
  O     19.01485715     13.57885881    -15.07180093
  H     15.72878951      9.61185497    -15.33202853
  H     13.21925351      6.97505565    -15.08941880
  O     13.23165582     11.40682252    -14.29633156
  H     15.32083268      7.18573943    -13.53625776
  H     14.03047035      8.28875763    -15.05280492
  O     14.63886526     13.63350175    -16.90451049
  H     16.03884161      7.77421330    -12.30954053
  H     15.10616928     11.86105792     -9.45304920
  O     12.18656408     13.71299564    -15.46253827
  H     14.57111556     12.25318913    -13.43557510
  H     15.27457273     11.10905699     -8.11160682
  O     18.65843422     13.42004887    -12.23761929
  H     15.17072875     12.92418639    -12.15633456
  H     17.67616333     14.60078908    -11.40713660
  O     12.38410436     11.13726019    -10.26541219
  H     13.06903266      8.65471547    -12.99768538
  H     17.65858432     15.80044743    -10.43269329
  O     18.12339973     11.35057874    -16.33361848
  H     13.00253347     10.18750531    -13.02917347
  H     16.84964421     10.28192663    -11.80460823
  O     13.65690667      7.58332204    -14.49892370
  H     17.09684104      8.47873662    -14.15752046
  H     16.69678586     11.55766039    -12.64828538
  O     14.96959619     11.00613077     -9.00930999
  H     17.48188587      9.92728755    -13.80966852
  H     12.53434782     14.62249667    -12.32663784
  O     17.09158592     15.21893134    -10.93204123
  H     19.78697193     13.89609465    -15.53257580
  H     13.57265895     15.48782812    -13.08541556
  O     17.35680893     10.93328685    -12.30561495
  H     18.73650163     12.76319950    -15.52584046
  H     14.18561304     13.76741076    -10.37431811
  O     12.73435725     15.01298764    -13.18393255
  H     13.76958021     10.89925681    -14.92101288
  H     15.72559380     14.11608585    -10.44376729
  O     15.08051754     13.40414178    -10.33829616
  H     12.79492720     12.12559426    -14.76927171
  H     16.03041403     13.83734609    -14.23636333
  O     16.35252627     14.47748965    -14.89084966
  H     15.26004389     14.02071311    -16.27104970
  H     17.29214538     14.29675433    -15.00824798
          69
 Energy    -249.89617025692002     
  O     12.21561470     10.75028821    -14.98535335
  H     12.71470005     10.17820566    -15.58353085
  H     16.41256858     11.52883529    -16.36192902
  O     16.15643662      6.57698085    -13.01100908
  H     12.76942867     11.52563261    -14.83666089
  H     15.71660205      8.16368446    -13.78212458
  O     17.34005254     10.82398877    -11.36508250
  H     16.89901835      7.01180201    -12.56736736
  H     16.45606448      8.98962467    -14.84297101
  O     13.30872314      6.31441844    -16.18172693
  H     15.42720907      6.52508656    -12.37933974
  H     10.20764605      9.35803262    -12.99443384
  O     14.38597650      9.09718374     -8.53969830
  H     16.43807263     10.94144243    -11.70014374
  H     11.50201786      9.80294541    -13.71540073
  O     13.99384202      6.72509694    -11.28980479
  H     17.27853323     10.75398984    -10.40467881
  H     17.96173869      7.64588983    -10.07700854
  O     14.88597119     10.97211217    -12.54772092
  H     12.77830378      5.63244385    -16.58445295
  H     16.90914185      7.11477005     -9.06354384
  O     15.10179301      6.48135363     -8.72254971
  H     12.98673286      6.41570490    -15.26730132
  H     11.93175790      7.54566268    -13.47478022
  O     17.61602361      8.40051364    -16.20633068
  H     15.19276732      9.62520295     -8.56717495
  H     12.92615354      6.54993555    -12.84878891
  O     16.17090170      6.09400100    -15.78714882
  H     13.88306981      9.30950309     -9.33779745
  H     19.18527614     12.30898591    -13.57680278
  O     19.44724225      8.91460862    -14.17426354
  H     13.73672187      7.65522572    -11.21004464
  H     18.16879545     11.39280054    -12.86565845
  O     16.42269592     12.15266959    -15.62701375
  H     14.33031459      6.46548577    -10.42351118
  H     17.82030271      9.01585790    -11.68568052
  O     15.70130965      9.01462323    -14.24068772
  H     15.16936907     10.29156517    -13.18131593
  H     18.73723708      8.24506284    -12.64516755
  O     11.15123481      9.22247212    -13.01638762
  H     14.55991548     11.71433659    -13.06858030
  H     17.46619034     10.57516045     -7.85867393
  O     17.69706894      7.66480317     -9.14690656
  H     14.80604739      7.39670493     -8.56306377
  H     17.33321372      9.31701941     -8.75113507
  O     12.43404536      6.74213285    -13.65640221
  H     14.87088410      5.97667426     -7.94718237
  H     15.21437501      9.80705278    -17.36638790
  O     18.53416404     11.62816297    -13.73432659
  H     17.15630089      7.54524150    -16.18434186
  H     15.86986766     10.37616854    -18.64653302
  O     18.15910683      8.13149613    -11.87634757
  H     17.21283407      8.93891417    -16.89534679
  H     12.37904112      9.36078499    -11.61083940
  O     17.03731100     10.23993988     -8.64161265
  H     16.22350708      6.07533713    -14.82072714
  H     13.77969619     10.00154340    -11.53414900
  O     16.02512182     10.21063754    -17.72011128
  H     15.22961084      6.08378097    -15.99357198
  H     13.97094186     13.79502281    -14.50618777
  O     13.17743293      9.40208203    -11.07018906
  H     19.27541244      9.85963586    -14.08885842
  H     14.92009713     12.64566637    -14.92387449
  O     14.08639747     12.84995358    -14.46182124
  H     18.95331093      8.64162604    -14.96025880
  H     14.49022290      9.02691120    -15.57616392
  O     13.93895633      9.02187498    -16.37486386
  H     17.16840698     11.92528491    -15.05826743
  H     13.64554719      8.10822297    -16.48071148
          69
 Energy    -249.89600088330553     
  O     19.79376765      9.05576149     -7.03783106
  H     20.14681711      9.53083876     -6.28983207
  H     16.73982561      8.91109889     -8.40160320
  O     17.88737177      5.07904187    -10.49469604
  H     20.36276303      9.26861998     -7.79856737
  H     21.53811313      8.73272444     -9.67393038
  O     18.51890304      6.49315635    -13.72400984
  H     17.25669341      5.04762161    -11.22432586
  H     20.91897172     10.10208938     -9.97957528
  O     18.58152087      9.07283944    -12.90681933
  H     18.18430042      5.99991156    -10.44198320
  H     15.51882683     10.86984967    -12.93644374
  O     20.93233300      5.27317548    -12.67137659
  H     17.72490288      6.01446381    -13.45544168
  H     16.50728682     10.75243236    -11.74761917
  O     16.10222897      5.42905964    -12.57123143
  H     19.27877983      6.00572450    -13.38370300
  H     13.51101202      7.00888965    -11.33754034
  O     21.47104303      5.20081900     -8.41608954
  H     18.56799331      8.20229832    -13.33531317
  H     13.03682270      5.54790947    -11.33120823
  O     14.35756583      4.25201215     -8.71389441
  H     17.68807669      9.43743052    -12.92845590
  H     14.55125454      7.43600901     -8.39739891
  O     21.30375486      7.03907467    -10.47758671
  H     21.51227261      4.83571039    -13.28949538
  H     15.97278074      6.82250276     -8.32600029
  O     18.64540484      7.73868388    -10.43467767
  H     20.72033051      4.62276298    -11.97802708
  H     15.39142758      7.77717964    -10.43767000
  O     19.23470123      6.23182431     -6.94252842
  H     15.81803604      6.29061852    -12.22851418
  H     15.44214332      8.65576992    -11.73037034
  O     17.48953254      9.50085678     -8.56604005
  H     15.40565576      4.80696508    -12.32585959
  H     19.68859199     10.23259203    -12.09322930
  O     21.29043770      9.57173746     -9.26365617
  H     22.36050163      5.13010171     -8.07750274
  H     20.67278898     11.42100385    -12.14207402
  O     16.05054118     10.24890897    -12.44606992
  H     21.49151705      5.87431956     -9.11637413
  H     17.63383913      5.57764432     -7.45898151
  O     12.75399328      6.44647868    -11.12090888
  H     15.21886366      4.46616526     -8.33123136
  H     17.19382135      5.09074533     -8.85440735
  O     15.48276057      7.62431482     -8.56270944
  H     13.77665021      4.98345086     -8.47274810
  H     12.68501034      6.63066100     -9.37358945
  O     15.21024000      7.78501218    -11.38710997
  H     21.34132735      6.53170759    -11.29710094
  H     11.98772998      6.88833739     -8.01525335
  O     20.15171820     10.88872050    -11.54528899
  H     20.37847950      7.32045649    -10.38951489
  H     18.44654923     11.43400431    -10.80080688
  O     16.86027796      5.29669890     -7.96807002
  H     18.55888898      8.15933489    -11.29974212
  H     17.46740304     10.85936377     -9.75679485
  O     12.82980201      6.68367653     -8.41177000
  H     18.27670227      8.34563312     -9.78248644
  H     20.70645134      3.98210259     -9.75488511
  O     17.52186885     11.44437763    -10.52733399
  H     19.99045405      5.81006934     -7.36944251
  H     19.36915149      4.03973068    -10.50998460
  O     20.27152706      3.68872005    -10.56347689
  H     19.43618699      7.17429815     -6.91889262
  H     14.19689604      3.95162070    -10.43998033
  O     14.04267490      3.88894244    -11.39974232
  H     18.16092993      9.36365769     -7.88619707
  H     13.69116744      3.01758442    -11.56216909
          69
 Energy    -249.89556123374109     
  O     17.43399286      8.36204370    -11.65803856
  H     17.08124427      7.64889205    -11.09978075
  H     14.58310693     10.08306532    -14.36896036
  O     11.03949381      9.38918284    -11.84066138
  H     18.28120805      8.60231782    -11.29060375
  H     12.50028112      9.33930663    -14.86564880
  O     12.02824322      3.74752851    -12.29743770
  H     10.60224130      8.57344342    -11.57075846
  H     11.40275722      8.24700220    -15.12248501
  O     13.67376154      5.89599055    -16.29065353
  H     11.16620584      9.32539676    -12.79837136
  H     14.97006062      4.66638447    -13.37300986
  O      9.86729163      6.86427555    -11.10973651
  H     12.76651575      4.07576415    -12.83484172
  H     13.92284341      5.78851042    -13.52711635
  O     15.86426042      3.96084180     -8.95278181
  H     11.98313162      4.30546172    -11.50910846
  H     14.29032405      8.16983167    -13.02689742
  O     13.25888044     10.18176375    -10.52637693
  H     13.82080952      5.35353247    -15.50387517
  H     12.87520618      7.82983926    -13.52467116
  O     16.59957831      4.68722427    -12.50555619
  H     12.74040329      6.13892743    -16.27642522
  H     16.00255685      9.40101823    -12.22073944
  O     15.68108547      7.72224279    -16.23502938
  H     10.50683135      6.31396531    -10.62889915
  H     14.60658619      9.99989884    -11.85559986
  O     13.09219596      3.30451131     -8.46585408
  H      9.03659059      6.78254054    -10.64610827
  H     12.91181470      2.35453452    -11.38367659
  O     10.93422224      6.65256073    -15.98527867
  H     14.95602103      3.80040091     -8.67013902
  H     14.35395901      1.92363129    -11.00906132
  O     14.16931493      9.92132043    -15.22703240
  H     16.05087765      3.29043700     -9.62168482
  H     13.53756360      8.34984204    -10.13957577
  O     11.71693517      8.90558036    -14.49184290
  H     13.07270868     10.95349926     -9.99931737
  H     13.57262719      7.33874606    -11.29622065
  O     14.09221730      4.85323184    -13.72538655
  H     12.43434025      9.95690892    -10.99754892
  H     10.77864569      4.77645308    -13.27629564
  O     13.63515639      7.46012664    -13.05745807
  H     16.43780823      5.22704529    -11.71946838
  H     10.03420118      6.05027393    -12.85254378
  O     15.18453653      9.75668648    -12.59068727
  H     16.95769014      5.29372501    -13.17117835
  H     12.52904695      6.07536345     -9.97344543
  O     13.43197127      1.86948830    -10.72860612
  H     14.96129758      7.06881442    -16.29152722
  H     12.21614652      4.69334980     -9.33379811
  O     13.65247749      7.41198868    -10.33105133
  H     16.09181653      7.74690668    -17.09616689
  H     16.88521395      1.63161097    -11.48718253
  O     10.26973015      5.52068398    -13.62249481
  H     13.18289774      2.71038570     -9.23403314
  H     16.40982125      3.06749068    -11.79687561
  O     11.87477984      5.36134900     -9.94104573
  H     12.80458295      2.76611752     -7.73333984
  H     16.18687136      5.55916784     -9.67920673
  O     16.21323010      2.27365944    -11.27167643
  H     10.66120898      6.20875550    -15.16152844
  H     15.31687613      6.72714975    -10.21160002
  O     16.20302632      6.34120008    -10.25054905
  H     10.23959981      6.50273860    -16.62100621
  H     17.42057992      7.43788835    -13.41831643
  O     17.34008966      6.76530687    -14.10369462
  H     14.69881918      9.22567727    -15.63800119
  H     16.79009070      7.13720008    -14.80428491
          69
 Ord_Energy   -249.895416    
 O   -2.50724745     -0.459811479      -2.74355483    
 H   -3.18955803      -1.10281897      -2.52016759    
 H   -2.06832838     -0.216245785      -1.91401994    
 O   -2.57439518       1.73040378       3.03008914    
 H   -2.62588787       2.07757449       2.12780547    
 H   -3.00609207      0.869411230       3.00666475    
 O   -4.34000349      -2.36184096      -1.76802266    
 H   -4.89644384      -2.99097371      -2.21812415    
 H   -3.57192540      -2.85567570      -1.42491531    
 O   -3.82651830     -0.801273227       2.65729427    
 H   -4.26153564     -0.661588609       1.79537141    
 H   -4.47556686      -1.20225000       3.22891474    
 O    1.23842645       1.11130035      -3.55064178    
 H    1.79486001       1.26808095      -4.30850554    
 H   0.787178457      0.261043519      -3.70617199    
 O    1.68259084      0.552329361       2.92524672    
 H    2.21706128       1.00504923       2.26305389    
 H    1.06079280       1.21037149       3.26107454    
 O    2.96725583       2.10370684      0.876794636    
 H    3.83602357       2.49445033      0.897218823    
 H    2.33030725       2.81428623       1.07778776    
 O   -3.19885731       2.18367434      -3.22823977    
 H   -2.99337125       1.23740792      -3.22205615    
 H   -3.88105726       2.28581810      -2.55626655    
 O   -4.90617275       2.19825244     -0.873033583    
 H   -5.53125238       2.86923671     -0.609524786    
 H   -4.07846689       2.38485479     -0.395932823    
 O   -2.50550628       2.53814054      0.376844823    
 H   -2.03629661       1.73853922       8.93633589E-02
 H   -1.96438456       3.29483557      0.122499079    
 O   -4.93758774     -0.439679831      0.228263304    
 H   -4.79787159      -1.10036504     -0.461466759    
 H   -5.00180864      0.415584564     -0.212703064    
 O   0.391435206      -3.50140190      -2.13803506    
 H   0.894597292      -3.08229709      -1.41648817    
 H   0.878839791      -4.28020239      -2.39365673    
 O   -1.57864010      -1.88954842       1.39158070    
 H   -2.29534984      -1.57387996       1.95614445    
 H  -0.769369006      -1.95415771       1.91477799    
 O   -7.02346191E-02  -1.22889364      -3.80916047    
 H  -0.979538858     -0.998083472      -3.56984115    
 H   0.133510485      -2.02937174      -3.31184626    
 O    1.71450162      -2.22414351     -0.162004605    
 H    1.50225985      -2.23720002      0.777252555    
 H    1.73157692      -1.29142785     -0.420132428    
 O    1.52654469      0.467399240     -0.855461597    
 H    2.06731772       1.07059932     -0.330740154    
 H    1.55216277      0.751848102      -1.77831161    
 O   -2.12550426      -3.52849245     -0.797184765    
 H   -1.91922510      -3.04438615       1.48520600E-02
 H   -1.30516911      -3.56840134      -1.30300033    
 O   -1.20510590      0.239140019     -0.374306977    
 H  -0.256207108      0.348963916     -0.520701826    
 H   -1.32382190     -0.500860572      0.235403404    
 O  -0.642969191       3.14725041      -2.74309182    
 H   -2.86903009E-02   2.47865582      -3.06136084    
 H   -1.53585720       2.85235143      -2.97847128    
 O    1.07923949       3.89673352       1.51683378    
 H   0.435826033       4.15348196      0.844426692    
 H   0.586927354       3.53893423       2.26637530    
 O  -0.786290824       4.56563807     -0.490789533    
 H  -0.669028044       4.06979609      -1.32343268    
 H  -0.970887482       5.46841908     -0.734898686    
 O   0.927150369      -2.00880647       2.60278893    
 H    1.31395960      -2.52349806       3.30567026    
 H    1.20909333      -1.08653998       2.74210382    
 O  -0.122938477       2.57766461       3.74249935    
 H  -0.176728919       2.97079730       4.60957670    
 H   -1.01478636       2.25059509       3.52885032    
          69
 Energy    -249.89456647576100     
  O     15.49275485     11.47338958    -14.66957398
  H     14.72720923     10.95668999    -14.90763662
  H     17.67612098     12.28229480    -17.09047630
  O     18.44032829     16.35785927    -16.56440781
  H     15.93545453     11.71670392    -15.50305549
  H     18.98709437     10.94718135    -10.51556510
  O     21.60336008     10.81963021    -15.76072920
  H     19.20831587     15.94660750    -16.97656222
  H     17.70850506     10.88638609     -9.64212565
  O     19.03830676     13.97827205    -10.68235719
  H     18.73237946     16.65787641    -15.69327225
  H     20.48689691     19.05534800    -11.46300659
  O     20.59927175     10.47480127    -10.91164874
  H     22.42156106     10.38910518    -15.99647621
  H     20.50817817     17.54466603    -11.12544675
  O     17.74975306     10.80429453    -13.17287372
  H     21.83191973     11.52924160    -15.13456064
  H     22.24969229     13.73853332    -10.92423186
  O     19.58458835     12.47921819    -16.85355872
  H     18.63413968     13.12701419    -10.47674482
  H     20.74309263     13.41332743    -11.10466580
  O     21.66563544     15.49006096    -14.91475537
  H     18.52250040     14.35995336    -11.40782154
  H     20.32507537     14.02243893    -17.37467277
  O     20.52033968     16.26878612     -9.93655510
  H     21.12932710     11.27855918    -10.97978869
  H     21.06096724     14.89942967    -18.41517305
  O     21.92739605     12.89058979    -13.99547574
  H     20.60019216     10.06535781    -11.78964716
  H     22.22660087     17.36309464    -12.47248304
  O     15.33512980     14.31848098    -14.11533263
  H     16.89429366     10.97043872    -13.58968135
  H     22.67029440     16.33438403    -13.53156828
  O     16.72799460     12.34182524    -16.92804890
  H     17.67754214     10.97414635    -12.22481137
  H     18.76499902     16.22087327    -13.54909144
  O     18.08759245     11.31060545    -10.40707465
  H     20.24360799     11.79075607    -16.70061546
  H     19.74612699     17.39798593    -13.27984298
  O     20.60694427     18.19145894    -11.84751631
  H     19.28744191     12.73781565    -15.96546536
  H     23.17029336     15.77548752    -11.26243991
  O     21.63637351     13.08225235    -11.27730626
  H     20.87140373     15.91909955    -14.56162234
  H     24.00755273     15.40606467    -10.01298089
  O     20.71942795     14.89803421    -17.52459092
  H     21.49974893     15.35465093    -15.85505916
  H     20.64145141      9.86294463    -14.32061609
  O     22.93305806     16.74416580    -12.69805657
  H     21.41983790     15.91900232     -9.92881638
  H     19.32784890      9.81743759    -13.50886675
  O     19.40421908     16.81613866    -13.96882381
  H     19.93646476     15.50861205    -10.05836626
  H     18.69811920     12.16399034    -13.82818252
  O     23.16732585     15.25719353    -10.43745267
  H     21.93805584     13.80748038    -14.30507878
  H     20.07680873     12.88354662    -14.02331893
  O     20.24982158      9.52553890    -13.50886234
  H     21.93479790     12.90618389    -13.02790604
  H     15.50676821     15.60511596    -17.35465302
  O     19.12993109     12.94683066    -14.19934655
  H     15.28884534     13.35832261    -14.19336336
  H     16.90476210     15.56823052    -16.69881352
  O     16.06233450     15.08701292    -16.77804407
  H     15.50262471     14.64260920    -15.01010188
  H     18.24274939     14.23803677    -13.43327140
  O     17.74021760     14.90307900    -12.93496274
  H     16.50408069     13.28186012    -16.96885316
  H     16.82100394     14.80465228    -13.21687879
          69
 Energy    -249.89411434391758     
  O      2.88593016     -0.43247322      5.67297620
  H      2.42104869      0.39559116      5.48739432
  H      0.72052463      2.71805295      0.22902871
  O     -0.34453318      1.82467397      7.40447012
  H      3.37256952     -0.69407677      4.87948787
  H     -0.09840976      1.57163543      2.38053055
  O     -0.20749562     -5.01899457      3.91520666
  H     -0.54019518      2.38936270      8.14812703
  H     -0.45827162      0.18910673      2.98330039
  O      2.81698592     -3.92650744      7.30743962
  H     -0.11448599      0.95296755      7.76638048
  H      3.49663421      0.45831834      0.78403423
  O      4.09073864     -1.26847540      3.35859659
  H     -0.08282948     -4.96902588      4.87472636
  H      2.48053130     -0.69399061      0.63970834
  O      3.77374359     -3.76299589      4.71224994
  H     -1.02563618     -4.55070366      3.72132123
  H     -1.77313419      1.17450323      4.55678613
  O      3.16532419     -1.19997031      8.28121962
  H      3.24364037     -3.89529443      6.43649777
  H     -1.71357282      1.38188951      6.08243593
  O      0.39622303     -0.72915730      8.14440616
  H      3.00871313     -3.08956072      7.74064251
  H      2.26968719      2.73074143      2.32606508
  O     -1.49675759     -2.94283173      8.12730180
  H      4.49766817     -0.50691173      2.92773692
  H      2.50075653      2.55497474      3.83793932
  O      2.10927130     -2.24542741      1.64056579
  H      3.41116039     -1.59734115      2.75239321
  H      1.41962859     -1.51202041      5.54096396
  O      4.85251257      1.06793196      2.02415253
  H      3.26348781     -4.22432665      4.03580713
  H      0.58863601     -2.82571091      5.81453800
  O      0.96063359      2.22214847      1.00707385
  H      4.09154493     -2.95662581      4.29018935
  H      2.34809558     -5.73487196      2.23811037
  O     -0.47438927      1.14060487      3.15829630
  H      3.97457839     -0.90682064      8.69205136
  H      1.29067700     -4.95185561      3.05006138
  O      2.66517984      0.21207611      0.36016887
  H      3.18819157     -0.88945208      7.35888887
  H     -1.32641408     -1.78954152      5.63010827
  O     -2.26088892      1.01896357      5.37641721
  H      1.31091795     -0.87401489      8.42048086
  H     -2.46196664     -0.75685633      5.59029453
  O      2.95434604      2.74400123      3.00697603
  H      0.33160952     -1.13473229      7.26941819
  H     -3.36656191     -3.49762288      3.13590983
  O      0.53771241     -1.90583533      5.51553933
  H     -0.96483820     -2.21396380      8.46579642
  H     -2.57520797     -2.76378465      4.24311122
  O      2.15455404     -4.87664687      2.60606678
  H     -2.02995930     -2.56159850      7.41741479
  H     -0.35686068     -4.10278291      7.22344185
  O     -2.28921383     -1.70676162      5.67075274
  H      2.19029355     -3.19047854      1.82333919
  H      1.16332854     -4.40922021      6.95172675
  O     -2.48395635     -3.28087429      3.42468436
  H      1.23432952     -1.99102506      1.96715758
  H      0.71581879      1.55668997      4.45719312
  O      0.26971346     -4.45114878      6.57493482
  H      4.23857928      1.71124059      2.42201026
  H      0.84265628      1.95943056      5.94683861
  O      1.35421408      1.79846954      5.14530765
  H      5.65572857      1.53955351      1.82181846
  H     -1.07526260     -2.16137878      2.82974508
  O     -0.28280659     -1.61295426      2.87272730
  H      1.51994737      1.48231628      0.70864054
  H      0.08217354     -1.74845144      3.76013112
          69
 Energy    -249.89365800237184     
  O     17.28861047      9.34320659    -13.38674059
  H     17.89771004      8.74033882    -13.84809798
  H     15.47185617      7.03960646    -16.13265583
  O     20.81130520      5.99183537    -13.65767323
  H     17.63410536     10.22417328    -13.50480486
  H     17.29698650      2.49282280    -11.37969641
  O     14.70857831      3.91552484    -16.29900052
  H     20.43271261      5.61547344    -12.85174267
  H     18.26176678      1.42057499    -10.83310504
  O     19.46232403      4.42566779    -17.14910249
  H     21.06905939      5.23126478    -14.19348429
  H     13.26190382      7.09091134     -9.62939676
  O     13.89982078      3.97248991     -9.14114405
  H     14.03038662      3.72006691    -16.93857776
  H     13.05976416      5.57552378     -9.80107471
  O     15.97617286      8.02400546    -11.30662526
  H     15.05257638      4.80437950    -16.51379673
  H     19.11189691      3.78074832    -11.55318642
  O     19.31700397      1.98262654    -14.14352223
  H     18.70722355      3.91607086    -16.82407937
  H     18.67515208      5.17154580    -11.03460094
  O     17.20258332      5.78564441    -10.19897300
  H     20.19470016      4.19544030    -16.56527512
  H     15.82309741      4.84242267    -13.63607862
  O     18.50215276      6.92772683    -17.40780337
  H     13.44655878      3.18024065     -8.86300815
  H     14.67677938      4.18688872    -14.43701397
  O     17.52867053      5.24806403    -13.81793321
  H     14.52407658      3.70831051     -9.83547092
  H     19.62286517      7.09453231    -14.38074331
  O     21.29230321      3.59587174    -15.12217032
  H     16.48561205      8.54323135    -11.94016317
  H     18.79043077      7.43861389    -15.67086898
  O     15.74601233      6.34745334    -16.75312194
  H     15.23983613      7.62492533    -11.79526880
  H     14.12285488      6.00624574    -12.98066026
  O     18.17142766      2.09191419    -11.50572164
  H     18.59000393      2.21436945    -14.73907243
  H     13.33184305      6.72543691    -11.84853049
  O     12.78668364      6.43222434    -10.15081678
  H     18.92976902      1.91896886    -13.26391966
  H     16.29742827      4.33750346    -10.82583025
  O     19.27273953      4.72593484    -11.65398267
  H     16.84307999      5.77779729     -9.30048300
  H     15.40928718      3.76021343    -11.97197418
  O     14.92433356      4.48196766    -13.55319042
  H     16.85858492      6.57843426    -10.63206509
  H     16.46471426      3.25197426    -16.02352346
  O     18.84359121      7.56653006    -14.71519497
  H     18.76147490      7.31038397    -18.24147737
  H     17.48780746      3.92731183    -15.09027064
  O     13.85472101      6.87453727    -12.64938826
  H     18.88829283      6.03343629    -17.37526017
  H     15.05457552      5.17410554     -8.13383537
  O     15.81537878      3.54828049    -11.11883892
  H     18.14601908      5.01776319    -13.11270788
  H     15.32405020      6.68916096     -8.05524113
  O     17.38139823      3.20649600    -15.73056720
  H     17.84601358      6.07506632    -14.19916993
  H     14.52164922      9.16410378     -8.60466582
  O     15.72264675      5.82521055     -7.88556875
  H     22.10149726      3.10187161    -15.22550051
  H     15.14262517      8.29586345     -9.72200842
  O     14.62419199      8.26320236     -8.90075098
  H     20.64296574      2.98668141    -14.72838560
  H     15.73914758      8.70190659    -14.40127304
  O     15.03645032      8.21546028    -14.84526848
  H     16.63774964      6.56689869    -17.04042865
  H     14.48460943      7.84635537    -14.14316214
          69
 Energy    -249.89331988492791     
  O     20.30039596     11.34796950    -17.83226583
  H     20.92415785     11.76590011    -17.21211874
  H     19.47114234     12.76980052    -18.77347185
  O     18.25809948     18.29850744    -13.97323817
  H     20.79420724     10.68617501    -18.30981351
  H     20.78437981     16.38858855    -17.98490777
  O     21.58183121     12.18415898    -13.26653363
  H     18.86823822     17.68511540    -13.54118953
  H     20.67834507     17.43560744    -16.83707304
  O     15.17262436     15.10829496    -14.59063740
  H     18.66001191     18.52075490    -14.81960955
  H     22.50838466     15.03981506    -13.98528602
  O     16.52169135     12.98007707    -17.88988552
  H     21.82960009     13.11599934    -13.11912747
  H     21.38532485     15.33774452    -12.95499945
  O     15.57233623     10.88356141    -14.83769882
  H     21.95941820     11.68034671    -12.55160869
  H     17.42067893     12.96730996    -13.47787742
  O     14.25235855     12.99835820    -16.31998103
  H     15.27238181     15.92680512    -14.08773452
  H     16.05075045     12.27783653    -13.56547824
  O     22.02945018     12.48581620    -16.07495910
  H     15.62700228     14.41849397    -14.08554066
  H     17.42000836     16.90766227    -17.75876161
  O     23.04507172     15.16314161    -15.83735918
  H     15.62380929     12.98769582    -17.52655505
  H     18.51842170     17.06234425    -18.82838483
  O     15.86004312     17.37421829    -13.09239446
  H     17.01867801     12.35502393    -17.34496486
  H     18.98939667     15.79654986    -12.41866021
  O     19.02448452     12.71771106    -14.24112403
  H     16.38514067     10.85494325    -15.36804097
  H     19.52820999     15.77772947    -13.87363941
  O     18.96110416     13.47789538    -19.18439559
  H     15.29787695      9.97833994    -14.71158750
  H     18.88038399     18.47765590    -17.13705243
  O     21.10471847     16.60865674    -17.09898373
  H     14.35665624     13.77488376    -15.75499161
  H     19.61925622     19.77626656    -16.72640742
  O     22.17650797     14.80229076    -13.11146536
  H     14.52888190     12.24507225    -15.78371887
  H     17.00891611     14.50271213    -12.02510557
  O     16.49448994     13.05333710    -13.20442813
  H     21.92761710     12.25381763    -15.14368491
  H     16.79404439     16.02669477    -12.04052680
  O     17.92912841     17.56586394    -18.25435331
  H     22.40958963     13.37192572    -16.07962791
  H     18.70857423     11.05210757    -16.84755425
  O     19.71446795     16.10651525    -12.98167825
  H     22.41663727     15.73317213    -16.31054445
  H     18.33410405     11.68939034    -15.50243081
  O     19.51664513     18.85504251    -16.50161691
  H     23.91911644     15.47239980    -16.06333546
  H     18.41615415     15.28166505    -15.95128542
  O     17.37859525     15.33492163    -11.70648878
  H     15.37868462     18.09028208    -12.68655239
  H     19.93937505     15.53024252    -16.10203785
  O     17.96749160     11.18229630    -16.24400220
  H     16.67879869     17.75837624    -13.45355783
  H     19.57966289     15.05511296    -19.43401074
  O     19.27772045     15.10175408    -15.54956767
  H     19.85170588     12.46839864    -13.81355893
  H     20.18395099     16.03983465    -20.46153276
  O     19.93127703     15.95714106    -19.54604319
  H     19.18921734     13.53243301    -14.74028742
  H     16.74770497     14.66688407    -17.23496074
  O     16.83682808     15.50341459    -16.75891643
  H     18.04437555     13.33529193    -18.91531478
  H     16.21183223     15.46939086    -16.02250930
          69
 Ord_Energy   -249.893204    
 O   -8.30608463       2.43532348       8.96009827    
 H   -7.35543966       2.27638888       8.82948971    
 H   -8.50608826       2.17331052       9.85593510    
 O   -4.87265158       5.01006746       8.68423843    
 H   -4.34126568       5.50918818       9.29803848    
 H   -4.47589445       5.13205147       7.80223465    
 O   -8.84697437     -0.769035518       5.34193945    
 H   -9.37642574      -1.53572214       5.54433155    
 H   -9.23188019      -2.60304492E-02   5.83889389    
 O   -1.76353180      0.805723786       2.26768517    
 H   -2.56674671       1.34336329       2.24063826    
 H   -2.05983782      -9.36243236E-02   2.45813441    
 O   -7.99520969     -0.172250509       2.59955096    
 H   -8.17639637      0.770100296       2.45945096    
 H   -8.41023636     -0.401644945       3.43748307    
 O   -4.18829679       2.18827534       2.75076485    
 H   -4.76331758       2.89275789       2.43023229    
 H   -3.86950827       2.44060874       3.62861657    
 O   -6.15565872      -4.81666103E-02   5.43468809    
 H   -5.83660650     -0.221511975       4.53864241    
 H   -7.05850267     -0.386210293       5.48541355    
 O   -3.99481916      0.661587119       6.96726084    
 H   -4.76758194      0.314257175       6.49552536    
 H   -3.23780203      0.130405590       6.68112278    
 O   -9.13614941       3.48787642       4.99619865    
 H   -9.13077259       4.42961502       5.19979715    
 H   -8.26738930       3.15705562       5.27505016    
 O   -9.76933861       1.38409579       6.71315670    
 H   -9.32030487       1.70099342       7.50554180    
 H   -9.77601051       2.13166785       6.09966803    
 O   -7.69719172       5.14746618       8.17842388    
 H   -8.02086258       4.28817558       8.47357178    
 H   -6.75981998       5.18047714       8.40577984    
 O   -5.98842144       4.22442865       2.01871157    
 H   -5.93597174       4.89706898       1.34423614    
 H   -6.04973316       4.68320179       2.87360144    
 O  -0.554341316       1.60536492       4.55717850    
 H   0.355583429       1.86554778       4.44629574    
 H  -0.883117735       1.34101641       3.67872906    
 O   -8.35282516       2.56513286       2.41639161    
 H   -8.74594879       2.93274856       3.21800780    
 H   -7.59297609       3.11949253       2.20957279    
 O   -2.92749572      -1.64099085       3.19189095    
 H   -2.92780924      -2.52599573       2.83624792    
 H   -3.81716776      -1.27880633       3.03696609    
 O   -3.03888559       2.70895410       5.27175570    
 H   -2.12925601       2.44369936       5.08324718    
 H   -3.40474868       2.04265547       5.86920786    
 O   -6.55449963       2.69938946       5.71910286    
 H   -6.28638744       2.72335863       6.64510727    
 H   -6.45309734       1.77835763       5.44702435    
 O   -5.63898754       2.34170485       8.39800167    
 H   -5.23057461       3.19684410       8.58603096    
 H   -4.96510077       1.74063349       8.05008221    
 O   -5.29593420     -0.351457357       2.81126428    
 H   -6.24180317     -0.354423165       2.59639406    
 H   -4.96778870      0.554231167       2.71244764    
 O   -8.51968002       6.15133762       5.80627632    
 H   -8.25634098       5.83928633       6.69162369    
 H   -9.01600933       6.95497370       5.93224430    
 O   -3.89448214       5.19722033       6.18936729    
 H   -3.50002003       4.37192535       5.87352848    
 H   -4.60942793       5.39642000       5.57199049    
 O   -1.93386912     -0.650524497       5.71359158    
 H   -1.33099341       4.00043912E-02   5.41252661    
 H   -2.26382470      -1.07464945       4.91136312    
 O   -6.18627501       5.18663836       4.56450796    
 H   -6.95767736       5.65995693       4.89986038    
 H   -6.23081207       4.29417515       4.94549704    
          69
 Energy    -249.89297663553413     
  O     18.95810524      9.38149055    -13.33252262
  H     18.56737190      9.12296673    -12.47984200
  H     16.23468650      2.65758692    -14.54168806
  O     16.04186309      5.52308649    -16.91049987
  H     19.56312555     10.09593138    -13.15086365
  H     14.04542161      5.82515673    -11.40072378
  O     14.86863260      5.01778295    -10.05321021
  H     16.83353741      6.07232917    -16.94881219
  H     13.39452603      7.09724593    -12.06898439
  O     14.14388192      2.31853737    -10.42732066
  H     16.24772277      4.76676968    -16.34490397
  H     15.34415471      6.77802325    -12.86779402
  O     13.57314090      6.44280317    -16.38457924
  H     15.76738426      4.77068279    -10.31734168
  H     16.25023389      7.61846888    -13.83372912
  O     18.23757299      7.29941943    -16.88568983
  H     14.95151190      5.64270239     -9.32198845
  H     19.53434715      7.66704279    -14.09647172
  O     15.33977140      7.03561042     -8.19309651
  H     13.71022472      2.26009176    -11.28775951
  H     19.24151278      6.14205203    -14.13345948
  O     16.71244509      1.48785192    -10.72397340
  H     14.23324853      3.25917144    -10.22277846
  H     14.91326247      9.01469024    -14.97977102
  O     16.76995740      8.93436151    -15.10636219
  H     13.06310728      6.47224043    -17.18994428
  H     13.79210367      8.00471276    -15.30817064
  O     13.17361763      2.06547005    -13.10761772
  H     14.46988306      6.14976201    -16.63263706
  H     13.48201253      8.95044949    -13.10710169
  O     15.91874145      1.22554005    -13.48837769
  H     18.81293579      7.47630109    -17.62490487
  H     12.41105150      9.48219371    -12.12797734
  O     16.21365303      3.54610247    -14.92527281
  H     18.81029869      7.09334449    -16.12488905
  H     13.57141295      5.07616585    -13.55300981
  O     13.70951540      6.19980405    -12.22851168
  H     15.07575059      7.32686819     -7.32489332
  H     13.45120179      5.08080034    -15.09146786
  O     16.25207910      7.03391963    -13.06626009
  H     15.20618342      7.78843732     -8.79689932
  H     14.48782481      9.08155881    -10.75547265
  O     19.65054655      6.86828264    -14.62425923
  H     16.93857184      0.76134168    -10.14922078
  H     15.99743413      9.01268428    -10.41660806
  O     14.00231343      8.77377282    -14.76436304
  H     15.78012540      1.70929732    -10.54629411
  H     17.41355841      5.73029335    -13.23023464
  O     13.20250791      8.95192506    -12.17384403
  H     17.48777399      9.24404545    -14.53862066
  H     17.52288700      4.37159262    -13.93364687
  O     13.58348623      4.49996809    -14.33338961
  H     17.19001340      8.44066905    -15.82270610
  H     17.91450837      7.83020538    -10.45072514
  O     15.11399543      9.02778218    -10.02465990
  H     12.38437717      1.63379628    -13.42583837
  H     17.11393881      7.90279063    -11.77991576
  O     18.00608972      4.97085916    -13.34900084
  H     13.24495461      2.90463638    -13.59119910
  H     17.95606181      5.67982009     -9.64007251
  O     17.63920236      8.43111963    -11.15845119
  H     16.30435100      1.24838039    -12.60441433
  H     17.19657430      6.65345995     -8.71344030
  O     18.01834725      6.54148278     -9.20612361
  H     14.97032960      1.35452800    -13.36154750
  H     17.34139105      3.25050539    -10.68961571
  O     17.45731701      4.20796397    -10.72764666
  H     15.34773015      3.90846317    -14.69459035
  H     17.74684985      4.42162906    -11.62551293
          69
 Ord_Energy   -249.892929    
 O   -4.20828676      -1.86163592       1.39487779    
 H   -4.41161871      -1.46643257      0.537613988    
 H   -3.29573178      -2.17453647       1.35522425    
 O  -0.906691432     -0.202165902     -0.192707628    
 H   -1.30877686      0.467252433      0.381990850    
 H    3.55585292E-02   7.11809006E-03 -0.204324126    
 O    1.40265787      0.725156963       3.07001162    
 H    2.20283198      0.204147324       3.21913695    
 H   0.650782943      0.133323744       3.22093058    
 O   -2.74925542       5.02970695       2.70344567    
 H   -2.54903555       4.45388126       3.46345305    
 H   -3.03504348       5.86579847       3.06210232    
 O    1.42505980      -2.88389611       3.88319445    
 H    2.20863342      -2.32189131       3.84677100    
 H   0.672855616      -2.28500795       3.98985243    
 O    3.55380774      -1.05282283       3.27145076    
 H    4.49022579      -1.06492889       3.44704175    
 H    3.43748927      -1.31397069       2.33877373    
 O    1.65870726      0.739462733      0.214006349    
 H    1.38529837       1.57780302     -0.188837543    
 H    1.56794608      0.841516733       1.17081177    
 O   -1.44891965      -2.42363811       1.27857757    
 H   -1.26836538      -1.68862069      0.670878530    
 H  -0.691806555      -3.01824546       1.22085106    
 O  -0.682005763      -1.03106368       3.58984661    
 H   -1.40640283     -0.462644190       3.88064766    
 H   -1.00284326      -1.51889789       2.81834793    
 O   -5.42279577       1.60897839       1.00971174    
 H   -5.34796572      0.949793994      0.306966871    
 H   -5.43697453       1.10945237       1.83391809    
 O   -1.85531998       1.79349053       1.45943749    
 H   -1.16276610       2.45733762       1.56571555    
 H   -2.60057044       2.26214337       1.06277525    
 O   -3.71791434       3.62748075      0.430585116    
 H   -3.52365971       4.16236782       1.21022642    
 H   -4.44273090       3.01689982      0.642988265    
 O    1.01721632      -3.79188013       1.33948147    
 H    1.23415792      -4.71479416       1.23437560    
 H    1.18016946      -3.56988454       2.27371192    
 O    2.94255114      -1.70927179      0.722240269    
 H    2.26001978      -2.39030457      0.743945599    
 H    2.54029322     -0.907060802      0.360710502    
 O   -2.13672853       3.40715766      -1.81306708    
 H   -2.72571921       3.55894041      -1.05487645    
 H   -2.31418586       4.10530806      -2.43920135    
 O   -2.74799681      0.636185527      -2.08959341    
 H   -2.03145146      0.245500818      -1.56952059    
 H   -2.55766726       1.58074105      -2.12460089    
 O  -0.203489482       4.09960794       1.80123270    
 H   -1.01214743       4.57039070       2.03853989    
 H   0.254357129       3.89518166       2.62692690    
 O   0.876955330       3.14989448       4.21206760    
 H    1.60322905       3.40625954       4.77458763    
 H    1.09994447       2.27714634       3.84538555    
 O   -4.95912361     -0.404944360     -0.943002105    
 H   -4.18576479      -3.49760614E-02  -1.40428209    
 H   -5.54418325     -0.740389168      -1.61715817    
 O   -5.21989250     -0.191057995       3.24449086    
 H   -4.86956644     -0.855881274       2.62202191    
 H   -5.93066311     -0.608139753       3.72317481    
 O   -2.71509528      0.826278985       3.90845156    
 H   -3.61353874      0.488757700       3.80415583    
 H   -2.43098211       1.13391483       3.03301144    
 O   0.545769393       3.09247947     -0.696407080    
 H  -0.291708589       3.14253283      -1.17060125    
 H   0.402081281       3.58805990      0.121743172    
 O   -1.95600641       3.38272810       4.71326637    
 H  -0.994676232       3.30711842       4.69481087    
 H   -2.29257154       2.48293304       4.59759521    
          69
 Energy    -249.89285167522101     
  O     -0.91885050      2.88008057     -1.47182694
  H     -0.05675849      3.30370626     -1.39583354
  H     -0.98483726      3.59423408      5.64690892
  O      1.68675991      3.96865993     -0.97377488
  H     -0.74705522      1.92791867     -1.47998206
  H     -1.41827761      0.62457596      3.44424873
  O      3.85606702     -1.03956738      2.53086626
  H      2.28617284      3.20673453     -0.88820860
  H     -2.08229728      1.38633504      4.60588418
  O      1.12928857      1.12896710      1.16096439
  H      2.14497070      4.61953309     -1.49915744
  H      0.54460822      0.14652474      2.49409653
  O     -3.06550758      3.35595414      0.09315544
  H      4.29088045     -0.32567020      2.05011069
  H      0.53620581      0.04676895      4.04025160
  O     -1.72312109      3.74583076      2.52761546
  H      3.36307945     -1.55691259      1.88338526
  H      2.63936779     -3.47193826      0.47078187
  O     -0.28731716      0.19204252     -1.07271968
  H      1.93374011      1.16224700      0.63084270
  H      1.48160342     -2.54848880      0.91036955
  O     -3.39312698      0.71869676      1.18477583
  H      0.96134351      2.04345111      1.42574353
  H      4.22140860     -0.84682776      5.63826328
  O      3.27504292      1.76584508     -0.58468870
  H     -3.71907200      3.84133176     -0.40286526
  H      3.68431213     -0.62447110      4.20434764
  O      5.10048329      1.33508849      1.47493744
  H     -2.30674745      3.21615675     -0.50198417
  H      1.09777928      3.95007773      4.75424331
  O     -2.33140501     -1.44412245     -0.04531528
  H     -1.85808425      2.87212913      2.92272878
  H      1.66403122      3.64560503      3.36419630
  O     -0.65462053      4.36302300      5.16662783
  H     -2.25711395      3.75621821      1.72329084
  H      2.06177730      0.53770297      5.47271319
  O     -2.15494824      1.21609649      3.65985226
  H      0.11395379      0.48087500     -0.23903487
  H      1.46373896      1.89847441      5.02475226
  O      0.11783619     -0.29920295      3.24339937
  H     -0.99656115     -0.41787912     -0.83732682
  H     -0.38303416      1.45373291      6.10387903
  O      2.40843766     -2.55704313      0.61173260
  H     -3.35901063      1.58878527      0.77007534
  H     -1.47349408      1.51761895      7.19754492
  O      3.66244192     -0.27856420      5.11553385
  H     -3.12102633      0.84946768      2.10253178
  H      2.45204686     -1.33248728     -0.82726984
  O      1.84451478      3.52604570      4.30802656
  H      3.98476281      1.64462957      0.05888961
  H      1.44065511     -0.43360155     -1.55966959
  O      1.24307916      1.04875145      5.43599946
  H      3.10223215      0.91672920     -1.02205894
  H      1.10237635      4.05969000      0.82307263
  O     -1.28220629      1.76908203      6.29761096
  H      6.05209001      1.39126647      1.43655946
  H     -0.02781280      3.91182161      1.91782089
  O      2.38424181     -0.63276058     -1.48914286
  H      4.83166798      1.74922251      2.31462217
  H     -0.11138870     -1.81283131      2.23928372
  O      0.91983223      3.82022775      1.73877311
  H     -2.75513323     -0.69243452      0.40694106
  H     -0.91694398     -2.20043350      0.98242205
  O     -0.14497737     -2.44396420      1.50628646
  H     -3.03167671     -1.95140649     -0.44678821
  H      3.56850883      2.82238696      4.08899798
  O      4.33016552      2.25691155      3.90627108
  H     -1.10426792      4.35248152      4.31236014
  H      4.19887397      1.45800590      4.43094724
          69
 Energy    -249.89281603611033     
  O     16.68451183      7.12710043    -14.02804058
  H     17.43597777      6.97950294    -13.43625835
  H     13.60564918     10.74488865    -14.87360465
  O     14.33593478     12.38766265    -10.36620813
  H     17.00429939      7.14848271    -14.93792870
  H     14.07537144     12.66969114    -13.55568900
  O     17.66878378      7.46982294    -16.59953595
  H     13.44274169     12.18468049    -10.67487278
  H     12.75277050     12.01805999    -13.10769518
  O     11.85791584     11.58745532    -11.51140822
  H     14.76611779     12.86225622    -11.08839510
  H     16.26062648      5.65937249     -8.11046954
  O     14.42435307      6.19196665    -12.78813542
  H     17.94305651      6.91164980    -17.32166545
  H     16.36382069      5.65855404     -9.65424484
  O     18.59704510      6.79458401    -12.09592122
  H     18.46260734      7.94291353    -16.28679331
  H     15.11127258     10.78649676    -10.38969989
  O     20.73137707      8.42042377    -13.00181663
  H     10.97140381     11.82658050    -11.25443312
  H     15.53716721      9.85101610    -11.56528497
  O     17.68172865      8.42173535    -10.00329722
  H     11.89000986     10.61465568    -11.52837150
  H     15.86887474      5.09247719    -11.82376193
  O     11.99775525      8.88152404    -11.65363458
  H     15.20840091      6.51877039    -13.25699371
  H     17.37335205      5.37550462    -11.60298435
  O     16.34723100     10.03098732    -16.73130617
  H     14.35398510      6.66957860    -11.94808397
  H     18.03483900     11.72907764    -14.07931691
  O     12.54813526      7.66175481    -14.19550207
  H     19.41480840      7.18512809    -12.42588836
  H     17.03682138     10.93225340    -13.21525066
  O     13.94050820      9.92577148    -15.27437996
  H     18.29113246      7.37081747    -11.37902325
  H     15.15585912      9.82513688    -13.92803539
  O     13.31505635     12.17154227    -13.87773049
  H     21.65518245      8.39659235    -12.76665628
  H     16.21401282      8.77409593    -13.52813241
  O     16.21179104      6.22462142     -8.87663545
  H     20.31811135      9.11182086    -12.45236873
  H     19.41859945      9.83864207    -15.62649005
  O     15.47822135      9.91815024    -10.60038062
  H     17.32084950      7.71543932     -9.45479323
  H     20.09660734      8.76510926    -14.73064218
  O     16.60871244      4.91514395    -11.23232506
  H     16.93879357      9.02510100    -10.16155800
  H     17.66619779     11.02386239    -16.19110445
  O     17.65945878     11.67643249    -13.19081585
  H     12.58725364      8.36679916    -11.08844685
  H     18.71840618     12.10518880    -16.53389799
  O     15.84843075      9.63386002    -13.28357941
  H     12.08428429      8.50708111    -12.53804711
  H     14.54406187      8.42908602    -10.38436831
  O     19.70475404      8.91730014    -15.59915475
  H     15.46758336     10.00368323    -16.33158894
  H     14.67149006      7.05176001     -9.71158813
  O     18.46066315     11.48239479    -15.85954278
  H     16.65598852      9.11908422    -16.78599733
  H     18.86664880      9.72114235    -10.83619743
  O     14.13366444      7.55116492    -10.33555671
  H     11.91312845      7.10309016    -14.63801983
  H     18.82219040     10.80224787    -11.95403410
  O     19.40768999     10.20363063    -11.47305311
  H     13.18093658      7.06783884    -13.75843327
  H     16.38403271     12.91163104    -12.83936922
  O     15.60866820     13.47769058    -12.69684784
  H     13.38401995      9.19306527    -14.98604941
  H     15.90664328     14.37855536    -12.79839363
          69
 Energy    -249.89268114818819     
  O      1.35098607      0.04605812      3.91897882
  H      0.82879880      0.86143025      3.92984824
  H     -3.22860331      4.62646847      0.01224348
  O     -1.88759531     -1.27050187     -3.34472378
  H      0.84134474     -0.57897701      4.44724921
  H     -3.43364880     -0.24006630      5.24892928
  O     -0.57261417     -1.69300215      5.25593988
  H     -1.06978643     -0.80422565     -3.09302764
  H     -2.62954759      0.95840824      5.77859573
  O     -3.64049264     -0.81073890     -1.21131197
  H     -1.92470534     -1.26683967     -4.29716115
  H     -1.06647188      3.97025672      1.26079865
  O     -1.08701965     -3.37071317     -1.53289443
  H     -1.29100068     -1.07720934      5.48471989
  H      0.09930801      3.02234583      0.90800986
  O      1.51540758     -2.27722069     -0.92987149
  H     -0.40400353     -2.21347315      6.03694039
  H     -3.00056453      0.73932644     -0.53138187
  O     -4.13938263      3.34039257      3.19581991
  H     -3.14462646     -0.94209445     -2.02948480
  H     -2.54169293      1.11858099      0.89962755
  O     -0.47476818      2.14871904      3.79226708
  H     -3.35954808     -1.51123451     -0.60595072
  H     -3.05702890      0.29163884      3.02248468
  O      0.42411131     -0.15346832     -2.48990860
  H     -1.36757653     -2.78513049     -2.24673582
  H     -1.66698337      1.03182068      2.98799189
  O     -6.15965329      1.48888487      2.42014026
  H     -0.18340823     -3.10688994     -1.31967386
  H     -2.26999681     -3.23029154     -0.19967370
  O     -4.60680839     -0.42227592      3.79948106
  H      2.37524767     -2.68972335     -0.90836393
  H     -2.25138094     -2.69955455      1.25771182
  O     -2.92912836      4.06052931      0.71924814
  H      1.42382824     -1.78293016     -0.09775214
  H      1.33135562     -0.49365370      2.18728616
  O     -2.66410400     -0.00556129      5.78485585
  H     -4.85401113      2.75943887      2.90857626
  H      0.22133485     -1.38429419      1.63997212
  O     -0.19226152      3.68362232      1.55012270
  H     -3.72782168      3.67621471      2.39006311
  H     -3.21733344      3.04953297      4.64332097
  O     -2.62041796      1.45484634     -0.00835099
  H     -1.09485021      2.53022952      4.42402281
  H     -2.80545931      3.54820139      6.04815981
  O     -2.27675082      0.47414322      2.48495805
  H     -0.32875462      2.78599749      3.07601559
  H      0.46414057      0.68593266      0.39975142
  O     -2.83916125     -2.91772603      0.51869110
  H      0.90958110     -0.88545504     -2.08886799
  H     -0.78682917      1.41555845     -0.16697956
  O      0.98674804     -0.86382152      1.36150607
  H      0.39688837      0.53350492     -1.81131970
  H     -1.61022792     -1.14317668      2.47651019
  O     -2.65491598      2.85233630      5.41400081
  H     -6.06493457      0.91750119      1.63738882
  H     -0.98759006     -2.13594723      3.47298456
  O      0.18123187      1.42315823     -0.15806879
  H     -7.08480636      1.71335465      2.48204705
  H     -4.32728379     -2.79991223      1.46996596
  O     -1.24625507     -2.04104621      2.54865142
  H     -5.22409377      0.24155582      3.46576164
  H     -5.54279842     -3.43316514      2.18085670
  O     -5.10519975     -2.60107589      2.01856622
  H     -4.75873332     -1.22509675      3.28462999
  H     -5.77689396     -1.16230209      0.94800403
  O     -5.88547722     -0.34650357      0.44293362
  H     -2.88213865      3.15845700      0.35682262
  H     -5.23477454     -0.40247505     -0.26786169
          69
 Energy    -249.89267824399761     
  O     12.53346206      9.49852801    -10.82252676
  H     12.44539050      9.03041699    -11.66244456
  H     13.92268511     14.25937625     -9.52699857
  O     12.65669721      7.80903023    -13.04532408
  H     11.81959603     10.13870251    -10.71849875
  H     12.12050246      8.41841485     -9.43967138
  O     15.02421436     10.09917519     -9.94308345
  H     12.29476269      6.97332274    -12.72300495
  H     11.65565839      8.59104708     -7.98567225
  O     15.98860242      7.45651268    -10.29734571
  H     12.21905066      8.03220260    -13.87573025
  H     12.21813786     10.70776810     -7.40537066
  O     11.77809329     14.71491299    -12.38476484
  H     14.12841278      9.89592709    -10.26294342
  H     11.07685348     10.55722935     -6.36872249
  O      8.69684413      9.41587679    -11.24998211
  H     15.50222863      9.26299256     -9.96886619
  H     13.08420349      5.81025002    -10.49765724
  O     12.31420932     12.07860900    -13.13417105
  H     16.71047543      6.95433778     -9.92904268
  H     13.08836608      6.64900265     -9.21240733
  O     14.38426854     14.44668120    -11.19735791
  H     15.17634118      6.95359297    -10.10830696
  H     15.07603990     11.28287046    -11.33737205
  O      9.85078668      6.95491536    -10.37283717
  H     11.42754667     14.44029774    -11.51667217
  H     15.35604984     11.44664290    -12.85810516
  O     11.02500720     13.82642368     -9.95532740
  H     11.24399341     15.44562545    -12.68184273
  H     11.24241421      8.49729034    -16.26762831
  O     15.43353263      8.10155083    -13.02361508
  H      7.77492452      9.55780455    -11.44786810
  H     12.15743287      9.47699493    -15.49241404
  O     13.55270965     14.12972051     -8.63550790
  H      9.20059108      9.70539189    -12.03369703
  H     10.47388587      9.73234871    -14.06942780
  O     11.84168615      7.92176541     -8.65311628
  H     12.08060448     13.00350902    -12.98704254
  H     10.87546451     10.93643207    -13.19734269
  O     11.34291172     10.30558449     -7.24828257
  H     13.15601643     11.93064857    -12.68215827
  H     10.62325719     10.80091659     -8.91448377
  O     13.66209859      6.13723571     -9.79926665
  H     13.59110333     14.66946119    -11.69952718
  H      9.72423362     10.54732324    -10.17099074
  O     14.93243885     11.86283560    -12.09755600
  H     14.69330736     13.59892938    -11.54745231
  H     12.93050227     11.33916365    -14.72464436
  O     11.48011695      8.78229814    -15.39035732
  H     10.42025776      7.23658552     -9.64321917
  H     14.22817949     10.63386132    -15.15821355
  O     10.19024437     10.26433581    -13.31773972
  H      9.40637893      7.75081632    -10.68808197
  H     15.79481900      9.55022978    -13.86310060
  O     10.43499352     11.09553983     -9.81579509
  H     11.80171035     13.92077384     -9.39049107
  H     16.76454445     10.38729181    -14.73507848
  O     13.30515426     10.76387786    -15.40648552
  H     10.77569554     12.89243750     -9.92732715
  H     10.93523034      5.98807872    -11.31447606
  O     15.91466767     10.41161618    -14.30460559
  H     14.47901328      7.94798865    -13.06067775
  H     11.31823866      4.66264266    -12.01726229
  O     11.64618069      5.53068144    -11.80009966
  H     15.70930502      7.86107574    -12.13204188
  H     13.70324875     12.36241270     -8.08102206
  O     13.71329145     11.42904813     -7.83391527
  H     13.83672917     14.87502254     -8.11274597
  H     14.28268417     10.98133657     -8.47286283
          69
 Energy    -249.89237362362684     
  O     13.90699604      8.40732335    -17.30592772
  H     14.76842881      8.78466524    -17.54435419
  H     15.86571297     12.69820711    -19.99121709
  O     14.06325944      9.99020670    -20.67208641
  H     13.93057166      8.24117192    -16.35279157
  H     16.88028366     13.31891175    -13.72313211
  O     12.41049985     10.39376960    -18.33989086
  H     13.44410109     10.19279667    -19.96393864
  H     17.96602731     12.64216278    -14.58228010
  O     16.60747255     15.25185797    -16.14857224
  H     14.66401820     10.74739379    -20.73780346
  H     17.81080542      5.89653272    -18.07225699
  O     15.13991131     12.89978439    -12.99857972
  H     11.46965715     10.24524371    -18.29337016
  H     18.60694480      7.09908335    -17.55723182
  O     18.11647214      8.21301510    -16.02092808
  H     12.84224604      9.60864911    -17.95664883
  H     14.67017136      8.45108185    -21.07890742
  O     14.07383367     12.07729087    -16.80588766
  H     17.04859884     16.09366969    -16.07345836
  H     14.77899953      7.34274844    -22.15406890
  O     16.40984058      9.36001162    -17.93435284
  H     17.04231952     14.65051774    -15.51759146
  H     14.85740537     14.78874289    -15.45380941
  O     14.38888883      8.10614041    -14.64682800
  H     14.72703191     13.08617857    -12.16025179
  H     13.91919335     13.59624766    -15.70995039
  O     15.45155287     10.71375272    -14.74173883
  H     14.69365711     13.45333793    -13.66481684
  H     16.73257315      5.53066731    -14.20704120
  O     17.57489209      8.29228592    -20.27223027
  H     17.64362024      7.54759699    -15.50631716
  H     16.42532828      5.67857434    -15.71364136
  O     15.87820154     12.07648558    -20.72973601
  H     17.47200542      8.57839567    -16.64696043
  H     17.32847168     12.40031044    -18.08833941
  O     17.61855683     13.50349063    -14.31691520
  H     14.50180054     11.49729457    -16.16120313
  H     18.31744603     11.46496789    -18.84763353
  O     18.46135315      6.55549210    -18.34179399
  H     13.44882911     11.55140849    -17.31828112
  H     18.25158257     11.26299497    -16.26152992
  O     15.06676118      7.58140059    -21.27733703
  H     16.71167760      8.95236713    -18.75632341
  H     18.38162870      9.98518552    -15.40402957
  O     14.10954213     14.30588675    -15.08051212
  H     16.80942924     10.23798488    -17.91006991
  H     14.70018047      6.57220204    -19.72650321
  O     16.52686890      6.17169874    -14.88374111
  H     15.10976345      7.46664383    -14.61709964
  H     14.19735836      6.90855771    -18.30768675
  O     17.98263557     11.69619833    -17.97259896
  H     14.78731493      8.98572872    -14.57366113
  H     18.23062775      9.91079390    -20.54648903
  O     18.20368710     10.93266018    -15.35060203
  H     16.39310353     10.75973405    -14.95452378
  H     19.22905393     10.88378572    -21.21536844
  O     14.55941945      6.19421889    -18.85076389
  H     15.29478024     11.36747355    -14.04775966
  H     16.28462730      3.94091476    -17.55180118
  O     18.50582802     10.84245465    -20.59528126
  H     17.94758205      7.60171745    -19.70282960
  H     15.67337273      5.31841134    -17.89935337
  O     16.33846105      4.87012911    -17.34466316
  H     16.77847708      7.95304408    -20.70044963
  H     16.18599047     14.22750050    -17.65452061
  O     15.93996701     13.51467582    -18.25715198
  H     16.78015985     11.74058910    -20.78318472
  H     15.24253310     13.01102237    -17.81014818
          69
 Energy    -249.89223577686238     
  O     17.97426360      9.67202241    -10.48063319
  H     17.51882598      8.90236969    -10.10031109
  H     13.80602191      7.48004612     -6.86156173
  O     13.98684674      4.95886630     -8.88917919
  H     18.31936670     10.15368049     -9.72093263
  H     17.59511936      7.28223232    -14.98131300
  O     18.65612641     10.45741723     -7.85603447
  H     14.43893102      5.23953325     -9.69680723
  H     17.16556669      6.10325022    -14.08878143
  O     12.41216179      7.00438627     -8.07444388
  H     14.66277552      4.86412212     -8.20756578
  H     14.78832385      6.85368225    -11.51634951
  O     15.65908080     10.55830568    -11.69969133
  H     19.19469121     11.09868111     -7.40082539
  H     15.76399399      6.72914962    -10.32664450
  O     19.29455398      8.04077005    -12.24304402
  H     19.14605277      9.61413626     -7.83223363
  H     17.85034770      9.43175508    -14.68977610
  O     21.04679225      7.01922072    -10.38945289
  H     11.56134472      6.67446995     -7.79717716
  H     19.13144100      9.29815927    -15.54748861
  O     17.70469712      5.65607558    -12.32778384
  H     12.91694371      6.23783230     -8.40069852
  H     16.05965407     10.47283459    -13.53981980
  O     12.73008246      9.12709725     -9.89832142
  H     16.51931322     10.30187979    -11.33735569
  H     15.63088522      9.54722516    -14.69939099
  O     15.89488699      9.78806231     -7.49932541
  H     15.16872800     10.93843918    -10.96136380
  H     16.24888141      8.31448272     -8.55421109
  O     14.26963776     11.23628360     -9.31038128
  H     18.87150131      8.69551340    -11.66795063
  H     17.21980770      7.09591917     -8.66854858
  O     14.60857417      7.55125445     -6.32860586
  H     19.18201883      8.34546655    -13.15190586
  H     20.42103657      7.79848286     -8.73775646
  O     16.92317299      6.59707246    -14.88293904
  H     20.50638954      7.38661632    -11.10873179
  H     19.40473089      7.33214368     -7.68503809
  O     15.31555260      6.21599870    -11.01828973
  H     21.93766939      6.94965576    -10.72394414
  H     15.60073917      4.57635640     -5.84280426
  O     18.65664079      8.90098800    -14.82249462
  H     18.20385931      6.48097200    -12.25342530
  H     15.39552849      5.98462996     -6.44976401
  O     16.30185669     10.18725786    -14.43013098
  H     16.84768476      5.79288085    -11.89650364
  H     14.06628017      8.17284973    -13.22516159
  O     16.64486101      7.68782156     -9.17267413
  H     12.58688871      8.38819946     -9.29419066
  H     14.60773014      9.07911433    -12.09268604
  O     19.95267104      8.08609789     -7.94536739
  H     13.00456509      8.75386184    -10.74600491
  H     19.92457911      5.44914656    -10.13142481
  O     15.77439732      5.10303600     -6.61890190
  H     15.37304025     10.36302863     -8.07471950
  H     18.66695972      4.90962563    -10.83136689
  O     14.01786716      8.33334353    -12.27470269
  H     16.80950819     10.09763917     -7.52623560
  H     18.50316921      5.39042752     -8.46801015
  O     19.18774224      4.83544764    -10.02189876
  H     13.73454678     12.00508349     -9.13224089
  H     17.44853104      5.50567405     -7.30112478
  O     18.20460135      5.93325123     -7.72065617
  H     13.65426628     10.49864014     -9.48490158
  H     14.07675945      7.70144097    -15.75759616
  O     14.57963648      7.95994592    -14.99028108
  H     15.01961195      8.39221446     -6.56358790
  H     15.37411777      7.39620998    -14.97094282
          69
 Energy    -249.89166084498814     
  O     -5.18946915     -0.18014222     -0.69211939
  H     -4.91361421      0.74576913     -0.74327875
  H     -1.47800715     -3.41144630      1.64013496
  O     -4.78462031      1.67492525     -4.64609634
  H     -5.45450535     -0.30321172      0.23036783
  H     -2.01195658      0.89054573      3.59839463
  O     -5.55492760     -0.00429798      2.02103144
  H     -4.02375808      1.22693554     -5.03455023
  H     -1.58953703      1.37030487      5.00575306
  O      0.47501825     -1.05583237      0.81080124
  H     -5.30511016      0.98321153     -4.21964682
  H     -2.55332160      3.06160782      3.34611701
  O     -0.77143678     -0.08017535     -1.53904123
  H     -4.62975454     -0.14132813      2.26725863
  H     -2.66748686      4.25041305      2.34943681
  O     -2.36906820      0.22600396     -5.36266105
  H     -5.70508855      0.94314826      2.12896305
  H     -3.50515197      2.20344349     -0.09352747
  O     -2.92396248     -1.79158080     -1.14817076
  H      0.65305703     -0.29927042      1.38824220
  H     -4.90284915      2.69070134      0.38413250
  O     -1.31437090      1.92193588     -3.41484734
  H      0.27807346     -0.69908624     -0.06449890
  H      0.09774104      1.35933182      3.06194582
  O     -3.60953352      3.38987458     -2.84122995
  H     -1.50227275     -0.71542366     -1.54711121
  H      0.77118917      2.00013542      1.84254967
  O      0.18442104      3.35686165      0.67775482
  H     -0.92247123      0.55269684     -2.25208229
  H     -1.60876247      6.29134180      1.38689758
  O      0.43598454      3.63437600     -2.14613518
  H     -2.11833011     -0.11398750     -6.21726304
  H     -1.89001100      5.34754354      0.19607124
  O     -1.69715473     -2.54878163      1.29986469
  H     -2.73100575     -0.52422431     -4.85728819
  H     -4.47052431     -1.42080572     -3.79155895
  O     -1.55543620      1.60125301      4.08032354
  H     -2.58726121     -2.16986094     -0.32683545
  H     -3.25710878     -1.92148628     -2.99616382
  O     -3.17438746      3.67313171      2.93323881
  H     -3.70597622     -1.26565198     -0.92848408
  H     -2.43565318     -1.06283092      2.13893743
  O     -4.39019064      2.45891170     -0.39918642
  H     -1.55858573      1.37111420     -4.16959724
  H     -2.49403351      0.41756861      1.68309606
  O      0.79242066      1.21745765      2.40906481
  H     -2.10392141      2.43288176     -3.18128356
  H     -1.54959445      0.93995931     -0.27908736
  O     -1.71951614      5.37256614      1.15477107
  H     -3.97600044      3.11212610     -1.98817176
  H     -1.24772299      2.17054376      0.59936255
  O     -3.55566876     -1.71434780     -3.89097357
  H     -4.11197716      2.92558861     -3.52577529
  H     -6.27786142      3.47895418      2.42462860
  O     -2.75964660     -0.18969619      2.39142929
  H     -0.34430269      4.12682356      0.92436766
  H     -4.76105106      3.17541844      2.45672656
  O     -1.93908538      1.53724820      0.37366064
  H      0.37163605      3.43256954     -0.26681932
  H     -6.97352910     -0.80885342     -3.31623051
  O     -5.61500025      2.88056233      2.09107490
  H     -0.09575806      2.99463013     -2.64776768
  H     -5.84497792     -0.42763365     -2.33262732
  O     -6.06579940     -0.51858585     -3.27475645
  H      1.21316503      3.81273286     -2.67026338
  H     -1.06108906      4.82638756     -1.81827847
  O     -1.90651160      5.20173078     -1.54521534
  H     -0.85481607     -2.07585319      1.15763922
  H     -2.57717843      4.72459706     -2.05209647
          69
 Energy    -249.89162421551242     
  O     15.75768420     11.21562988    -10.44277477
  H     16.17845302     10.59200403    -11.05388754
  H     11.63240858      5.52337837    -13.35315653
  O     15.88261288     12.12077712    -15.64372478
  H     15.94007269     12.10392737    -10.77449396
  H     10.85149884      9.64875290     -8.62980059
  O     10.13335762      9.78162576    -13.58805139
  H     16.35060327     12.40706533    -16.42321872
  H     11.97579963      9.81540690     -9.67799207
  O     10.65554748      7.93161574    -11.66685416
  H     16.55148876     11.97419858    -14.95037830
  H     14.36275990      6.76720934     -9.30403669
  O     12.44553261     11.37141185    -13.34912819
  H      9.19360546      9.91504962    -13.67979586
  H     14.31505346      7.06580879    -10.81183193
  O     14.09237825     10.01889367    -15.14769432
  H     10.25708899      9.11446204    -12.88999443
  H     14.41237370      8.54767672     -7.94132119
  O     16.22301022     13.62390876    -11.74020490
  H     10.83619765      6.98806790    -11.80918847
  H     12.93850656      8.26504601     -8.32116839
  O     17.05562880      9.44207576    -12.14271389
  H     10.84227920      8.16233244    -10.74947047
  H     13.55375208     12.89402678    -13.53353482
  O     14.02706338      4.28288082    -11.66367230
  H     13.03812486     10.88266116    -13.94050748
  H     14.78265974     13.12683109    -14.43398167
  O     17.57614165     11.80888914    -13.55137440
  H     11.57378151     10.96979569    -13.44883664
  H     11.16373974      8.88901665    -14.93882830
  O     13.48729367      8.26962841    -11.89821476
  H     14.62669684      9.30210969    -14.77448029
  H     12.58868245      8.98030405    -15.52328187
  O     11.52956109      5.48420443    -12.39279351
  H     14.70212621     10.70404012    -15.44606493
  H     16.85299064      8.43061643     -9.15689922
  O     11.44851248      9.15877666     -9.19083308
  H     16.43035175     14.53385653    -11.54689919
  H     16.41033984      7.24105059    -10.01320280
  O     14.68285361      6.45059536    -10.16126760
  H     15.50156739     13.63163595    -12.39533847
  H     13.87476651      5.44506499    -14.64902030
  O     13.74685939      7.84972617     -7.99825189
  H     17.24837295      8.85434769    -11.39733790
  H     14.60430305      4.91666693    -13.40556512
  O     14.31701117     13.47151273    -13.66105660
  H     16.57778640      8.91442825    -12.79714599
  H     11.67970216      5.31404953    -15.91827087
  O     11.79907501      8.42410770    -15.49480981
  H     14.26895129      3.44962327    -11.26798426
  H     11.97382810      6.70672441    -15.31718008
  O     17.13286208      7.87089609     -9.88981570
  H     14.32648448      4.97879047    -11.05363355
  H     15.84771927     10.36529628     -8.85762597
  O     14.75074493      5.35602318    -14.25190170
  H     17.54439489     10.95710134    -13.09376608
  H     16.32762444     10.26028187     -7.39383030
  O     12.06387895      5.74998824    -15.16211530
  H     17.29750756     12.46955523    -12.90685591
  H     14.69902913      8.10379558    -13.15312670
  O     15.87472927      9.78016682     -8.08322221
  H     13.44377294      9.14023183    -11.48479362
  H     15.34636423      7.06124563    -14.08094391
  O     15.39188659      7.99201277    -13.82368799
  H     12.57346297      7.98855377    -12.01671597
  H     13.97250564     11.01315080    -10.57060763
  O     13.04782400     10.77821337    -10.72578927
  H     12.30299913      5.00824778    -12.06890075
  H     12.80880822     11.09094280    -11.61054522
          69
 Ord_Energy   -249.890305    
 O    1.11269569       9.11160851      -8.01654720    
 H   0.900537848       8.65335464      -7.19087696    
 H    1.15890026       8.42245579      -8.69221210    
 O    4.42314577       9.87718391      -10.8533754    
 H    4.34179163       10.2528963      -11.7394009    
 H    4.22051668       8.93755627      -10.9406967    
 O    2.14708257       8.67625141      -13.2574606    
 H    2.64447451       8.09446812      -12.6671553    
 H    2.72298741       9.42483711      -13.4620886    
 O   -1.02837849       12.8132486      -9.43554401    
 H   -1.57373321       12.9615393      -10.2173777    
 H  -0.154901549       13.1616583      -9.64760303    
 O   -1.16535962       6.95404339      -11.1595144    
 H  -0.959944010       7.02248716      -12.1025476    
 H   -1.53916216       7.81509018      -10.9186792    
 O   -1.34911788       10.4638929      -8.04956627    
 H  -0.462447494       10.0758858      -8.03523540    
 H   -1.26982427       11.3495989      -8.43505573    
 O    3.81767559       10.9416037      -13.4433861    
 H    4.44380569       11.2291794      -14.1026964    
 H    3.27877712       11.7195168      -13.2149544    
 O   -3.50200152       10.7209578      -12.5198269    
 H   -3.07965326       10.4208775      -13.3330088    
 H   -3.07349396       10.2209034      -11.8088245    
 O  -0.364822477       12.1121521      -13.2993393    
 H   -1.06869876       12.6056175      -12.8585081    
 H   -7.19275977E-03   11.4948368      -12.6405478    
 O   0.119100407       7.50284672      -6.02170849    
 H   0.286484957       6.64617491      -6.43465328    
 H  -0.814338446       7.68916416      -6.18384886    
 O   -2.00272512       5.92584896      -8.65552902    
 H   -2.27940726       6.71518421      -8.17351151    
 H   -1.85967767       6.18721104      -9.57518482    
 O  -0.456516057       7.65939999      -13.7351408    
 H   0.470915794       7.92932558      -13.7235098    
 H  -0.941234827       8.41502571      -14.0877810    
 O   -2.53695917       13.1672440      -11.8535662    
 H   -3.17698765       13.8624907      -11.9798937    
 H   -2.98425674       12.3292284      -12.0699663    
 O    2.38906622       11.0531588      -9.47488022    
 H    3.18543744       10.6671152      -9.86971855    
 H    2.03777146       10.4297504      -8.82512760    
 O    1.68530774       13.5989656      -10.0400505    
 H    2.12729311       14.2342224      -9.48169804    
 H    1.99401128       12.7184839      -9.75956917    
 O   -1.89497638       9.52585030      -10.6075907    
 H   -1.87746274       9.83188343      -9.69361496    
 H   -1.03490400       9.77723789      -10.9794121    
 O    2.23160172       13.0540447      -12.8019381    
 H    1.34547198       12.8770561      -13.1444616    
 H    2.10061073       13.3446579      -11.8911791    
 O   -1.69796431       10.0979509      -14.6848717    
 H   -1.18587434       10.8319635      -14.3082104    
 H   -1.78809488       10.2796087      -15.6176538    
 O    1.22636831       6.88578224      -9.76085663    
 H   0.419444382       6.90688372      -10.2964792    
 H    1.07845223       6.24477673      -9.05333996    
 O   0.604912221       10.2390118      -11.5188332    
 H    1.09375715       9.63467693      -12.0919914    
 H    1.20788980       10.5451756      -10.8308830    
 O   0.400422662       5.17479706      -7.69083214    
 H  -0.505716026       5.34549379      -8.01026821    
 H   0.446135402       4.24859047      -7.47115231    
 O   -2.52028728       8.21983242      -6.98215818    
 H   -2.19889688       9.07635403      -7.30927515    
 H   -3.31998706       8.39974403      -6.49342060    
 O    3.47623682       7.20370960      -11.2662821    
 H    2.70304871       7.05841303      -10.6943903    
 H    3.96175218       6.38304090      -11.2873363    
          69
 Energy    -249.89017073228223     
  O     11.77035658      9.56288271    -14.34748834
  H     11.83544077     10.43361865    -13.93893006
  H     13.83949485     12.85129566    -16.05690837
  O     16.79349867     10.89186478    -10.73409243
  H     12.32316460      9.59894290    -15.14080245
  H     16.40110598      9.89546329    -14.18637241
  O     16.69913868     13.49891348    -14.94056211
  H     15.87525799     10.92786396    -11.03809444
  H     15.33268332      8.76262025    -14.12548299
  O     15.53871545      7.62401016    -16.75834850
  H     16.78373720     10.66189579     -9.79749540
  H     12.06173133      8.08682419    -13.52366159
  O     14.96386726      7.76329724     -8.36387350
  H     17.08638731     14.35980656    -15.07921432
  H     11.56293943      6.66620134    -13.16440682
  O     16.05086027      6.70583500    -11.57046464
  H     17.12411016     13.13195053    -14.14591581
  H     18.11481689      7.10522475     -9.02888374
  O     14.28453311     10.74986517    -11.89304440
  H     15.39016468      7.17448649    -15.91590485
  H     18.65945019      8.12903297    -10.04506389
  O     16.72837230     11.69620141    -17.16953847
  H     14.82892514      8.27783948    -16.81911831
  H     14.01409621      6.95791421    -13.83984421
  O     16.71297338      5.78401461     -8.99735421
  H     15.50762461      8.54706187     -8.21533699
  H     15.43546035      6.68087356    -13.29685259
  O     17.86637388      9.03373389    -16.83770724
  H     14.42118753      7.94960059     -9.14204758
  H     18.22964605     11.55925927    -13.37187988
  O     18.26873526      9.96014200    -14.23801691
  H     15.29110710      7.24701513    -11.30657509
  H     17.60680373     11.99931646    -12.03511805
  O     13.90042296     13.11704326    -15.13206060
  H     16.32159738      6.21774110    -10.78394434
  H     17.39671178      7.92820340    -11.80374474
  O     15.45350515      9.72266558    -14.13569882
  H     13.55178534     11.30813652    -12.17586665
  H     17.64984743      9.42369102    -11.47413342
  O     12.30979246      7.25300761    -13.08351573
  H     14.69601549     10.41904582    -12.70835821
  H     17.59479007      9.18896926     -8.39643917
  O     18.60705848      7.93289036     -9.10067723
  H     16.86002041     12.22975407    -16.37517569
  H     17.25307680     10.24895870     -7.32142570
  O     14.94743321      6.94217914    -14.08958020
  H     17.16333000     10.84847362    -17.02929754
  H     15.09323049     11.95932355    -17.66374538
  O     17.95540225     12.33986449    -12.86759635
  H     16.61674450      5.00314531     -8.45969802
  H     14.01620156     12.41308153    -18.68175669
  O     18.06900015      8.62311133    -11.82474899
  H     16.04919627      6.42708123     -8.68615739
  H     13.18203130      7.83040355    -11.52704515
  O     16.92657359      9.84194604     -8.11970014
  H     17.05507488      8.49614547    -16.83726890
  H     13.91906558      9.13819783    -11.15566990
  O     14.13535632     12.09147365    -17.79300607
  H     18.42702608      8.68139969    -17.52393378
  H     12.83429766     12.52971023    -13.90853680
  O     13.79324862      8.21683912    -10.88755867
  H     18.29890089      9.50821755    -15.08977449
  H     11.62037729     12.82988275    -12.99776510
  O     12.25905031     12.15666489    -13.21542649
  H     18.36700760      9.31915559    -13.51894228
  H     14.34118979      9.90104622    -15.61817021
  O     13.71494756      9.73941362    -16.34087139
  H     14.83909827     13.27752257    -14.97113901
  H     13.75697359     10.50781686    -16.92253369
          69
 Energy    -249.89008455291440     
  O     11.07640517     10.21256352    -12.58880315
  H     11.93804808     10.58735936    -12.81137424
  H     16.15831460      6.07047961    -17.67405682
  O     14.23556700      6.82077906    -15.19505458
  H     10.73393620      9.82556166    -13.40418981
  H     18.01789658      9.36413645    -16.56263695
  O     17.46980347      9.87230203    -10.09264218
  H     13.70216729      7.61928469    -15.32053165
  H     17.62860763      7.87512280    -16.53997910
  O     17.07040227     10.94539907    -17.05981341
  H     13.90787597      6.35754076    -14.41206768
  H     16.15828917      9.12875476    -13.97465156
  O     12.99180201      9.26236334    -15.51110021
  H     17.59327911      8.91224859     -9.97599733
  H     15.39886093      7.77278017    -14.15689202
  O     15.35925323      5.59188476     -9.44021563
  H     17.79916754     10.29229005     -9.30288424
  H     10.06930657      8.39393365    -10.20003036
  O     13.48165453      5.67950975    -12.80965883
  H     17.24475096     11.60612937    -17.72390635
  H     10.90044554      8.97394490    -11.36882050
  O     14.97674256      9.32118798    -11.25833476
  H     16.25936134     10.47708733    -17.33019601
  H     17.23130361      7.15586235    -12.96516708
  O     14.89713950      9.43997383    -17.60923740
  H     13.25671515      9.80141084    -14.75324596
  H     18.74283853      6.96783375    -13.05817834
  O     15.92735860      4.64016144    -12.10990653
  H     12.04368729      9.09931280    -15.42580756
  H     11.65149923      6.10963999    -13.13834609
  O     16.31591978     10.96158896    -14.35631090
  H     15.05714805      5.08423505     -8.69112719
  H     10.71438009      7.01305787    -12.31243572
  O     16.11404885      6.87399479    -17.16179142
  H     14.61477900      6.15148006     -9.71662056
  H     18.95608811      9.75978747    -13.05518449
  O     18.30946765      8.49688136    -16.25668303
  H     14.29535042      5.16977077    -12.67843602
  H     18.19471247     10.30110322    -11.81727526
  O     15.98560542      8.26694042    -13.57310720
  H     13.41968336      6.25610597    -12.03666466
  H     19.27441093      8.33559695    -14.81322402
  O     10.79077350      8.19695817    -10.79132986
  H     15.32699883      8.88318700    -12.05121988
  H     20.70253045      8.26936462    -14.22646338
  O     17.95293523      6.58193808    -12.66314514
  H     15.74501893      9.63471522    -10.76662524
  H     17.87159000      6.92085126    -10.85413029
  O     10.81596132      6.59174243    -13.17533682
  H     14.17384090      9.44933261    -16.96867726
  H     16.93181019      6.64631048     -9.66183978
  O     18.45317002     10.51307719    -12.72229154
  H     15.25652492      8.54396813    -17.60317173
  H     13.94177480      8.02604418    -10.66911229
  O     19.78070375      8.27297693    -13.98296509
  H     16.70478645      5.14761918    -12.37568471
  H     12.48133736      7.54714574    -10.43812463
  O     17.67424431      7.19169395     -9.94618807
  H     15.81633264      4.81352176    -11.16669329
  H     14.59194419     11.08353897    -13.71229805
  O     13.39942529      7.25155149    -10.45251149
  H     17.10199307     10.94529913    -13.78722458
  H     14.04863126     10.37303861    -12.47429718
  O     13.76447463     10.81953016    -13.28429347
  H     16.61056268     11.07203731    -15.26733588
  H     10.48754750      7.85341280    -14.33889343
  O     10.34916417      8.64861612    -14.88470281
  H     15.45785428      6.72097790    -16.46062776
  H      9.53448050      8.51966228    -15.36224420
          69
 Energy    -249.88910840433243     
  O     12.47918012      9.56384602    -10.74724698
  H     12.48381283      8.65208356    -11.05617519
  H     11.85803614     12.95782637    -10.96103764
  O      9.84485323      6.83297133    -10.75605969
  H     13.25209356      9.68167224    -10.17860370
  H     10.61894104      7.26799705     -9.05427555
  O     12.15718607     11.76324802    -12.32419716
  H      9.71315223      7.53070313    -11.42353213
  H     10.85377616      8.52595762     -8.20227175
  O     14.44611216     10.06902247     -8.84052747
  H      9.09439671      6.24819192    -10.82165905
  H     11.29756419     10.05227508     -9.40808687
  O     14.87299293      6.86484441    -10.38016414
  H     12.23651776     10.94132446    -11.81428171
  H     11.43219988     10.96203161     -8.17201741
  O     15.46625477     14.76359942    -12.05002887
  H     13.05388364     11.98476208    -12.60419661
  H     12.79866503      7.51149487     -7.96791210
  O     14.85357677     12.12406594    -12.80377175
  H     14.25810382      9.26361193     -8.34247272
  H     13.92122638      7.11199505     -6.98416873
  O     16.72542921     13.37512042     -9.85719854
  H     13.92742529     10.79864571     -8.47220235
  H     16.46790460      9.94714294    -11.22153309
  O     13.69862701     15.30618149    -10.06672520
  H     14.05198797      6.72491055    -10.87488029
  H     15.65985077     10.52808240    -10.03809477
  O     14.52075546      9.47822616    -13.83264599
  H     14.60299153      7.02666951     -9.46999842
  H     10.50967993      8.58850796    -13.29776355
  O     15.04432658     14.06082927     -7.83008011
  H     14.79660749     15.01364509    -11.38787695
  H      9.52006883      9.62055722    -12.71919037
  O     11.59868434     13.48220072    -10.19143497
  H     15.73440094     15.56765867    -12.48628755
  H     10.41425903     11.65556740    -12.67512109
  O     11.07643505      7.58673458     -8.26766586
  H     15.31397716     11.66301643    -12.08681395
  H      9.09981841     12.07719538    -13.37084953
  O     10.83123111     10.34769596     -8.61064582
  H     15.06942542     13.05872324    -12.69792241
  H      9.53858267     11.52191340     -9.41689315
  O     13.75864699      7.55686247     -7.81177944
  H     16.72007432     12.45173338    -10.14296022
  H      9.08222703     11.93390102    -10.83234810
  O     16.23788854     10.77171356    -10.77730319
  H     16.45433672     13.88873597    -10.62764710
  H     12.15717661      7.87438465    -15.08527751
  O      9.72680943      8.67854716    -12.74010585
  H     14.10846997     15.03668055     -9.23634890
  H     12.98391875      8.70375092    -14.07972253
  O      9.45621682     11.49118093    -12.70735497
  H     12.87245440     14.80598316    -10.12541971
  H     15.91647712      7.75661124    -11.43524964
  O      9.14442025     12.24609338     -9.92166465
  H     14.63677430     10.42074079    -13.66334097
  H     17.18469289      7.75085884    -12.32089266
  O     12.16470339      8.18753963    -14.18435293
  H     15.18394579      9.02801405    -13.29479009
  H     11.58333675      6.67689639    -11.39837328
  O     16.43753474      8.28551791    -12.06596669
  H     15.53417883     14.47656992     -7.12567758
  H     12.37803638      7.17809242    -12.64099012
  O     12.47024528      6.86583149    -11.73106380
  H     15.69604206     13.78417185     -8.49910489
  H     13.62609174     12.84707516     -7.81415311
  O     12.91734511     12.23917854     -8.06157508
  H     10.67565224     13.25106728    -10.01798131
  H     12.45318587     12.67045033     -8.79457121
          69
 Energy    -249.88895164940456     
  O     11.91889012     12.11387040    -13.63257946
  H     11.07623684     12.55834306    -13.59273259
  H     17.87792174     13.28913981    -13.53602626
  O     18.32608629      6.29539512    -11.78126144
  H     12.20511399     11.97423206    -12.71088943
  H     13.57443061      9.81706849    -18.24222379
  O     16.92131027     10.05615826    -11.46050747
  H     18.09886242      5.78044924    -12.56545268
  H     13.33212671     10.00284692    -16.72321069
  O     12.27990760      9.84093434    -15.36281586
  H     17.49101303      6.65299262    -11.45351513
  H     15.33046909      9.94936136    -14.26875527
  O     15.27945022      6.66952309    -14.11194201
  H     16.69736908      9.13791770    -11.27061697
  H     14.93298706     11.36353177    -13.73943706
  O     17.64250382      5.18717950    -14.35128884
  H     16.32713018     10.30600954    -12.18795930
  H     16.22419102     12.42548070    -16.84212155
  O     14.47242804     13.08815652    -14.25778824
  H     12.13874418     10.56367345    -14.73905974
  H     14.87287008     11.70693271    -17.11239221
  O     18.39240791      9.70011670    -15.71965511
  H     12.33474109      9.02609552    -14.85021206
  H     21.20530277      7.60011097    -12.12675066
  O     15.78263451      7.45872032    -11.42158412
  H     15.47737356      7.42040864    -14.69435610
  H     19.68881217      7.30914862    -12.22000426
  O     18.10982344     12.31383365    -16.70604124
  H     16.00005069      6.03833713    -14.22726578
  H     16.34255635     15.03381069    -12.54837052
  O     19.37573856      7.10815430    -15.16722334
  H     17.89939958      4.34414326    -14.71483205
  H     15.68972202     13.80366580    -13.22148351
  O     18.53616462     12.87257382    -14.10510816
  H     18.25104452      5.85097344    -14.72406272
  H     16.03479098     11.57475168    -10.62559507
  O     14.00658559     10.05281584    -17.42609455
  H     13.53758682     12.88583056    -14.13240132
  H     15.84659588     12.99965004    -11.16111299
  O     15.13577231     10.45956496    -13.47357201
  H     14.69846165     12.96799870    -15.19386253
  H     12.88658666     10.68817396    -11.12003349
  O     15.26565743     12.52500319    -16.78512640
  H     18.36758040     10.53780885    -16.19773822
  H     13.69396369     11.97552698    -10.86424427
  O     20.41307309      7.83767713    -12.60102444
  H     18.62104623      9.91312489    -14.80214844
  H     19.69657021      9.54654879    -12.89296665
  O     16.41698849     14.08673050    -12.63960222
  H     14.96091838      7.92641583    -11.22537752
  H     18.39027213     10.24131257    -12.44985870
  O     15.46896068     12.35298569    -10.55298365
  H     15.67540883      7.17465053    -12.34060637
  H     12.02734843      6.60193622    -13.95631897
  O     12.82205764     11.65196133    -11.13387402
  H     18.26550094     12.58959908    -15.78302600
  H     13.51367390      7.01979740    -13.99380895
  O     19.12055268     10.29612650    -13.08448979
  H     18.68975105     12.83919163    -17.25098405
  H     14.00374772      9.55896179    -12.32656746
  O     12.60704988      7.35806564    -13.90425994
  H     19.08077318      7.94930282    -15.53822570
  H     12.98398521      8.40774389    -12.35423419
  O     13.45172475      9.00066078    -11.75508723
  H     19.87176645      7.33562874    -14.37026890
  H     15.26194572      9.20600453    -16.38300761
  O     15.78981936      8.84620106    -15.65994365
  H     18.84621112     12.07934758    -13.64937352
  H     16.70847196      9.13136385    -15.76502237
          69
 Energy    -249.88876766415103     
  O     13.98924075     14.34476888    -13.31426468
  H     14.89283595     14.33521342    -13.65578236
  H     12.75507798     11.85572000    -14.59743127
  O     14.48472237      9.51859325    -17.59005660
  H     13.43141196     14.13433756    -14.07170582
  H     15.41192336     12.65341667    -17.22359469
  O     15.27615974      8.59694327    -11.62501024
  H     14.29314732      9.05142430    -18.39943747
  H     14.50148744     11.41652021    -17.43439235
  O     18.41125415     14.05208316    -12.13586021
  H     13.87135888      9.17698982    -16.91608416
  H     13.26416020     13.06455943    -16.25210194
  O     12.96842799      8.69069241    -15.48187101
  H     15.30977804      8.25472701    -12.52899032
  H     11.88341510     13.75620509    -16.14386993
  O     13.65834376      6.47360618    -10.78645370
  H     16.05062941      9.16265278    -11.50477130
  H     19.20075307     11.34254017    -14.03194550
  O     13.90282112      5.20078569    -13.17077766
  H     18.93468401     14.76512860    -11.77813833
  H     19.19845392     12.35771238    -12.86111768
  O     15.81313058     11.17734953    -13.92878844
  H     17.87006810     13.70994758    -11.40586958
  H     14.07605425     13.34244736    -11.79496587
  O     13.01135551     10.23071329    -11.52735491
  H     12.91118031      9.53594783    -15.01169854
  H     13.76314564     11.98615176    -11.09354235
  O     15.18329671      7.48705267    -14.21283655
  H     12.39470351      8.06054428    -15.02210222
  H     16.34760378      8.51719464    -15.24620477
  O     18.74731103     11.14496094    -15.79328943
  H     14.31481239      7.17695251    -10.89472384
  H     16.02316924      9.33244932    -16.52054666
  O     13.07437136     11.07154772    -14.13654090
  H     12.80166353      6.91788654    -10.80304747
  H     11.45711774      7.28395717    -13.01672942
  O     14.49179265     12.36544398    -17.26326104
  H     14.03391463      4.26009736    -13.09245751
  H     12.32735754      6.21219601    -13.69888376
  O     12.58586948     13.37498951    -15.62480752
  H     13.83666176      5.55313651    -12.26472883
  H     15.86309214     12.92419160    -10.44935474
  O     19.31767672     11.42633374    -13.07379310
  H     16.16201470     10.58021956    -14.60321367
  H     16.79142000     13.00765928     -9.21227807
  O     14.27766213     12.79613469    -11.02065028
  H     16.23875496     10.94695765    -13.09282255
  H     17.26069592     13.98752426    -13.58198470
  O     16.65556934      9.25139659    -15.79506913
  H     13.82055073      9.69772614    -11.50957995
  H     16.32564141     12.88339125    -14.14922305
  O     11.67594465      6.90191665    -13.87588957
  H     12.90503265     10.54497097    -12.43798617
  H     17.10628803     11.25434717    -10.99055568
  O     16.79619526     12.93164343    -10.16243172
  H     14.88621935      6.60966549    -13.94109490
  H     18.05250984     10.69198940    -12.08724444
  O     16.60418985     13.80629191    -14.26531472
  H     14.42344664      7.90562885    -14.64266340
  H     11.83920003      8.89417765    -11.30949815
  O     17.23631837     10.51335840    -11.59313418
  H     18.29233365     11.85674587    -16.25672571
  H     10.54319296      8.26463074    -10.75295364
  O     11.32257050      8.07202332    -11.26795710
  H     18.16860074     10.37495357    -15.87177539
  H     16.98554632     13.61124394    -15.97841602
  O     17.14974602     13.31475151    -16.89069340
  H     14.03680572     11.16741022    -14.05288100
  H     17.53943234     14.05231775    -17.35401649
          69
 Energy    -249.88823905267938     
  O     11.68141566      9.77368184    -12.72076520
  H     12.49339557      9.99915480    -12.23536107
  H     14.99124414      3.89013777    -15.32698157
  O     15.95894677      6.27030175    -12.90310991
  H     11.02709225     10.42184006    -12.47251412
  H     19.10782969      6.89175121    -13.99844927
  O     18.23052518     10.09435045    -12.54923328
  H     15.28101325      6.56963394    -12.28013856
  H     20.18319070      6.29740334    -14.93502731
  O     18.00221158     10.79534532    -17.17802282
  H     15.57068995      5.63350183    -13.51561810
  H     16.45913428     11.70190664    -16.49614158
  O     12.44314370      6.10437115    -14.72095681
  H     18.36400607     10.34755314    -11.62795920
  H     14.94326067     11.47221896    -16.57637819
  O     15.64805795     10.22009718     -9.25929774
  H     17.40652603     10.50666291    -12.84534580
  H     15.71580822      7.67874770    -14.06608453
  O     14.19897645      7.43418349    -11.13988631
  H     18.51375983     10.43955880    -16.42861597
  H     15.86827615      8.41126846    -15.44650748
  O     15.81019985     10.96851708    -13.55963123
  H     18.63006150     11.18857551    -17.77780876
  H     18.51273772      7.42749427    -10.49927275
  O     16.22629412      8.62886571    -17.28532371
  H     13.28376568      5.67472066    -14.91576418
  H     17.52533883      7.50449993     -9.30886486
  O     15.69361371      7.35938578     -8.84458513
  H     12.51615571      7.00935497    -15.04843010
  H     11.51684695      7.83657971    -12.31936559
  O     17.00158524      6.09580162    -16.40326601
  H     16.57506187     10.44331957     -9.40769498
  H     11.90400937      6.51653562    -13.01955039
  O     15.00611105      4.81158027    -15.08113218
  H     15.64918999      9.30553864     -8.95186675
  H     19.39001195      8.70001093    -15.13670373
  O     19.36805896      6.79387854    -14.93014636
  H     14.23281983      8.38563945    -11.30607692
  H     19.03821180      9.89097466    -14.21561715
  O     15.61733130     11.98636314    -16.11703792
  H     13.31372319      7.13680295    -11.39934572
  H     18.30857537      8.25958615    -12.45935987
  O     15.48076757      8.46941711    -14.56422091
  H     15.72837385     11.52043039    -14.34843457
  H     17.56173432      6.88282633    -12.52641728
  O     18.41536492      7.74918980     -9.59384200
  H     15.72223790     10.05651351    -13.88175886
  H     19.12958789     10.85578379     -9.21539809
  O     11.74324186      6.91476464    -12.15047950
  H     16.88983840      9.33018348    -17.33404177
  H     18.52678330      9.49157134     -9.63470945
  O     19.29699534      9.65940894    -15.11745001
  H     15.37703594      9.04950157    -17.47118591
  H     13.33901966      9.71010298    -16.65689490
  O     18.42916826      7.29977266    -12.40479966
  H     15.27920453      6.83670903     -8.16255717
  H     13.14335299     10.25020578    -18.09162088
  O     18.46534801     10.45507976     -9.76959524
  H     15.12728841      7.28949568     -9.63141729
  H     14.67366063     10.60275940    -12.21087697
  O     13.80246328     10.09602398    -17.41972133
  H     16.76529762      6.89461708    -16.89350443
  H     14.57085509     10.34632569    -10.67806255
  O     14.10766611     10.22966717    -11.52068431
  H     17.82686976      6.29249017    -15.94365737
  H     12.35341060      9.26323409    -14.38847189
  O     12.82825786      8.91939729    -15.15496344
  H     15.70499378      5.23227437    -15.61324545
  H     13.73545673      8.73626386    -14.86377823
          69
 Energy    -249.88801712515010     
  O      2.70045205     -0.79548613      6.67970465
  H      3.41711308     -1.02247197      6.06907756
  H      3.52705595      2.74815095      3.14519255
  O     -0.82026594      1.58615245      7.07747627
  H      2.40284413      0.09584160      6.45617344
  H      1.57392941      1.80071699      2.72835528
  O      0.56263329     -4.86671097      3.20857108
  H     -1.14036244      0.68016864      7.23473561
  H      0.83347721      0.43261952      2.80355356
  O      2.94476761     -5.11007111      7.22176581
  H     -1.24561335      2.13981137      7.72715653
  H      5.50552781      0.31471674      0.71779587
  O      4.57500783     -1.47561798      4.76561719
  H     -0.14244590     -4.30235937      2.87080583
  H      4.53680253     -0.43139517      1.66025271
  O      4.33184609     -4.23663185      5.10231869
  H      0.41958173     -4.94353624      4.16129553
  H     -0.90676035      1.45476695      3.81022267
  O      1.98766168     -2.75738257      8.53668237
  H      3.49736618     -4.81128049      6.47654429
  H     -1.51097871      1.55207837      5.22359577
  O     -1.79843294     -0.94104507      7.32077736
  H      3.39378391     -5.85233052      7.61649353
  H      4.14944205      3.69396194      5.50206685
  O     -0.63792809     -3.34649189      8.29819223
  H      5.15375572     -0.70278776      4.69553244
  H      3.18871856      2.49215301      5.37902488
  O      3.57538260     -1.88388573      2.13458986
  H      4.18442581     -1.59960791      3.89117122
  H      0.75956275     -2.97004816      5.35578621
  O      5.88044611      0.86815938      4.23112859
  H      4.55564288     -3.29642009      5.08239229
  H      1.41872848     -1.60187203      5.68880981
  O      3.17237451      2.47909098      2.28865253
  H      3.98797210     -4.44976383      4.22681458
  H      3.39798361     -5.40159460      1.97201047
  O      0.83000759      1.33789488      3.14020142
  H      2.29275924     -2.00764300      8.00708383
  H      2.23969992     -4.72198908      2.73594164
  O      5.00196076      0.40977379      1.52269661
  H      2.43118170     -3.53787792      8.18159647
  H     -0.94210260     -1.59923733      4.81232070
  O     -1.71800304      1.30328704      4.31544863
  H     -1.41876166     -1.74288884      7.69936284
  H     -1.91991368     -0.47971517      4.36137179
  O      3.99943590      2.88570559      5.01754882
  H     -2.06222346     -1.17482859      6.42211635
  H     -1.70895286     -2.46164556      3.06654628
  O      0.80874014     -2.04472927      5.08698396
  H     -0.96234560     -3.72957672      9.10921747
  H     -2.19607836     -3.10067598      1.74693082
  O      3.18507246     -4.64665843      2.51471548
  H      0.28879584     -3.08932675      8.45895375
  H      1.28594829     -4.92967112      6.41726501
  O     -1.85317099     -1.43384694      4.52369312
  H      3.57282172     -2.84883261      2.15726706
  H     -0.09585495     -4.32230886      6.74736409
  O     -1.42257342     -2.97257135      2.28966480
  H      2.64186905     -1.62408062      2.13282587
  H      1.36684412      1.48695707      4.86183512
  O      0.44178327     -4.66828193      6.02339965
  H      5.32042191      1.58670013      4.55121599
  H      0.85081531      1.68803578      6.31059901
  O      1.65371346      1.62664184      5.77718422
  H      5.71728109      0.80587545      3.28132885
  H      0.14496627     -1.83428214      2.10924314
  O      0.91318717     -1.36304076      2.44789939
  H      3.79162301      1.82656399      1.93921954
  H      0.97134944     -1.61610680      3.38483428
          69
 Energy    -249.88779584098003     
  O     -4.08485716      1.19988094    -10.22430403
  H     -3.32091215      1.40485063     -9.66985690
  H     -2.98601513      8.55786031    -10.44331900
  O     -2.99639860      4.31428263     -8.09422702
  H     -4.78848819      1.81080450     -9.97693933
  H     -4.24720117      4.58898764    -11.64932697
  O      1.46796430      4.71725718     -7.41916002
  H     -3.67968870      4.68495469     -7.52465375
  H     -4.26593829      3.34461763    -12.59015225
  O     -6.22478528      7.78938923    -10.99328529
  H     -3.13577406      4.69449520     -8.97686094
  H     -0.05311019      1.94711711     -8.28335774
  O     -0.99363151      5.48729133    -12.21306215
  H      1.95787350      4.98246974     -8.20719708
  H      1.01934052      1.16361747     -7.49375823
  O     -6.27139844      3.12799474    -10.16557373
  H      1.30472746      3.77106336     -7.51650739
  H     -1.53704555      5.48336704     -7.86421982
  O     -3.08496103      7.75654764     -7.19971031
  H     -6.33083373      7.07744086    -10.33633295
  H     -0.03680003      5.69620600     -7.53240363
  O     -1.66469655      2.13399160     -9.03119607
  H     -7.01279850      8.32433485    -10.94689600
  H      0.87025430      2.77302739    -11.07081714
  O     -6.40670701      5.80456667     -9.14035023
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  H      1.54361594      2.47040117     -9.72026139
  O     -3.29320916      1.73108412    -12.75999014
  H     -0.48414665      6.01674778    -11.58077226
  H     -1.74286149      8.45800794    -12.31168243
  O     -3.20811141      5.49978482    -10.53272449
  H     -7.10301979      2.73166551    -10.41820156
  H     -0.83429490      8.36031775    -11.06112198
  O     -3.67269536      8.17449021     -9.87658570
  H     -5.85997564      3.45514682    -10.98365083
  H     -3.24806547      7.17696175    -13.64456635
  O     -4.79350463      4.09070732    -12.28024665
  H     -2.20496814      7.36318963     -7.26432546
  H     -2.23876683      7.67285477    -14.70552185
  O      0.87735760      1.95765152     -8.00261076
  H     -3.30942319      8.03701430     -8.09918932
  H      2.28172029      4.51035524    -10.29563390
  O     -0.84483508      6.15394839     -7.80677963
  H     -1.40391510      2.41245040     -9.92172871
  H      3.47270021      5.49671605    -10.25588294
  O      1.69396305      2.88521585    -10.57915645
  H     -2.12021920      2.87930449     -8.60957329
  H     -0.20271677      6.76837632     -9.41181175
  O     -1.55713671      8.86530264    -11.45682540
  H     -6.38837689      4.87531583     -9.39674357
  H      1.10623373      6.56091368    -10.20921698
  O     -2.30744740      7.37118923    -13.80363427
  H     -5.96074796      5.85641734     -8.28579590
  H     -0.90771405      3.74245837    -11.92263325
  O      2.55475994      5.40236892    -10.01583788
  H     -3.59706370      1.43933988    -11.88055507
  H     -1.63304992      2.39083030    -12.15228187
  O      0.23140088      6.96787967    -10.25435211
  H     -3.41653263      0.99657032    -13.35516168
  H     -4.97338488      5.77812949    -13.12038821
  O     -0.91910952      2.80999670    -11.65845674
  H     -2.41083290      5.49897273    -11.07749435
  H     -5.39437063      7.15219653    -12.57593781
  O     -4.90146741      6.72664348    -13.28857331
  H     -3.39704800      6.41751495    -10.29409028
  H     -4.29198672      6.58526733     -6.81734050
  O     -4.92104261      5.84683321     -6.71560079
  H     -4.53033275      8.26175798    -10.30738753
  H     -5.23156899      5.87134859     -5.81492295
          69
 Energy    -249.88681466132152     
  O     17.85021453     15.04407058    -15.93506593
  H     18.56992273     14.75773465    -16.51002557
  H     17.99517825     10.38677181     -8.82761501
  O     21.51915783      9.80814751    -15.37055002
  H     18.26937243     15.51252135    -15.20192523
  H     20.75404326     18.28769618    -11.42112947
  O     19.66960582     13.24884821    -10.09148806
  H     20.98263916      9.33292901    -14.70731139
  H     20.87777487     16.78812446    -11.06109570
  O     15.47617517     13.42903531    -12.78399550
  H     22.13042697      9.17421323    -15.73396103
  H     21.22177520     12.56128792    -10.76750808
  O     20.60874967      9.72669311    -11.00703864
  H     19.22773252     12.45224228     -9.77233418
  H     22.72109208     12.87489957    -10.97684169
  O     16.38299997     10.97936715    -11.46942507
  H     19.09127007     13.62163254    -10.77379811
  H     17.06442271      9.95150568    -14.61651739
  O     19.48939187     11.51476957    -16.39989274
  H     14.61755383     13.78990892    -12.57513135
  H     18.05138430     10.60517221    -13.63975754
  O     21.50394037     14.64599113    -14.96757762
  H     15.52638793     13.37031500    -13.75145541
  H     20.30450726     13.99972685    -18.28654926
  O     21.22962527     15.57471329     -9.85891537
  H     21.24330834     10.45215807    -10.97082984
  H     19.90337003     13.07564682    -17.11062896
  O     21.80923530     12.16483498    -13.84633630
  H     19.83772015     10.02673561    -10.51095681
  H     22.60616658     15.59030642    -13.77712677
  O     16.71378030     10.76793136    -16.26966392
  H     16.01180094     11.78209853    -11.84855727
  H     22.32159862     16.61377262    -12.66131727
  O     18.34389600     10.83429973     -9.59411636
  H     16.64540736     10.43241642    -12.22452250
  H     19.76606376     16.60342477    -13.12056579
  O     20.77779714     17.41387677    -11.80134936
  H     20.18413584     10.86601354    -16.23198153
  H     20.11485621     15.51051326    -14.15920631
  O     22.05040619     12.19345955    -11.10960418
  H     19.19746943     11.81015595    -15.52222257
  H     23.51281878     14.99086205    -11.66820227
  O     17.46584972      9.83774523    -13.74534505
  H     21.15630732     14.50612986    -15.85544970
  H     24.59210821     14.63140268    -10.61982519
  O     20.10012955     13.99670771    -17.35514252
  H     21.66404814     13.76746669    -14.58909540
  H     19.07050051      8.85185581    -13.58755220
  O     22.99485068     16.01045488    -12.99880089
  H     22.10781929     15.21804701    -10.04010886
  H     20.25420057      8.95152437    -12.59693455
  O     19.37614454     15.99571104    -13.76173733
  H     20.64455310     14.80906458     -9.78402166
  H     19.98566057     12.12291949    -13.66067013
  O     23.68609080     14.46616549    -10.86618930
  H     21.87921645     11.31259070    -14.29354513
  H     18.68599608     12.82841419    -13.18161213
  O     20.01217265      8.66392086    -13.49012204
  H     21.99325574     12.05955468    -12.90231677
  H     16.49389206     14.00498905    -15.69530709
  O     19.02405159     12.13093036    -13.75345460
  H     16.35941910     11.63364265    -16.03374962
  H     15.07223904     13.65954810    -16.19350822
  O     15.73208490     13.41559968    -15.54836689
  H     17.62708845     10.92788996    -16.53890918
  H     17.14988389     14.07880204    -12.30413618
  O     18.08999498     14.19412801    -12.12160510
  H     17.61893569     10.88338996    -10.24198007
  H     18.44365969     14.89309865    -12.68963217
          69
 Ord_Energy   -249.886490    
 O    2.13798046       4.95028114       5.71198702    
 H    3.00377345       4.81020832       5.30321312    
 H    1.58716381       4.19746113       5.46933985    
 O    4.12547445       1.83105421       5.84310961    
 H    4.07890272       1.36593473       5.00005388    
 H    4.30673361       2.75887728       5.63539410    
 O    6.51647139       2.90801287       3.34628248    
 H    7.16556311       3.21522784       2.71900582    
 H    6.97114992       2.28092051       3.93701148    
 O    2.38069606      -1.55481505       5.60670280    
 H    3.21112394      -2.03647137       5.54374123    
 H    2.25249100      -1.39042783       6.55004454    
 O    5.70881605       2.92940354       9.43241215    
 H    5.91071987       2.48451471       10.2646160    
 H    4.74773312       3.04869461       9.41954231    
 O    5.11881781      -1.31089675       8.06882095    
 H    5.58682919     -0.485423505       7.87405014    
 H    4.17707729      -1.09983945       8.16098690    
 O    2.87607408       5.82231617       8.16931152    
 H    2.52503085       6.69399929       8.32879066    
 H    2.54345822       5.54027128       7.29771662    
 O    5.19765425      -1.09398520       10.9046545    
 H    5.31303453      -1.28658640       9.96590042    
 H    4.24652100      -1.13995183       11.0644703    
 O    4.47656584      0.879951239       3.18868709    
 H    5.08818388       1.61973858       3.08556128    
 H    5.02246523       9.38438028E-02   3.31861567    
 O    2.40087676     -0.792383075       8.34848022    
 H    2.14268613      0.104425661       8.08845329    
 H    2.27300143     -0.859088361       9.30257130    
 O    2.92896795       3.33715487       9.44558430    
 H    2.85417485       4.24676371       9.13113022    
 H    2.50449514       2.78067780       8.77731800    
 O    5.03821468      -2.80041456       5.80136299    
 H    5.02149200      -3.72952700       6.01715612    
 H    5.12925005      -2.32027316       6.64315605    
 O   0.508542597       2.62959552       5.16773415    
 H   0.944433033       1.91243422       4.67217302    
 H  -0.385123432       2.68088174       4.83991671    
 O    2.35086083     -0.807325542       11.1587257    
 H    1.74278069      -1.14327359       11.8114052    
 H    2.52843523      0.122310929       11.3914213    
 O    5.60141993       5.08843899       7.55633879    
 H    4.75317574       5.45535564       7.83701515    
 H    5.82767534       4.41875124       8.21321392    
 O    1.76119852      0.575852275       3.91228914    
 H    2.58924246      0.694342315       3.43236852    
 H    1.89190650     -0.201604173       4.47561026    
 O    6.23725176       1.11157024       7.40850163    
 H    5.49304342       1.33990967       6.82866573    
 H    6.19565153       1.73557496       8.14448357    
 O    5.92020035       1.38577557       11.7770128    
 H    5.74452305      0.477073878       11.4743242    
 H    6.53668070       1.31986880       12.5012226    
 O    7.58121252      0.988445878       4.95139694    
 H    7.29151583       1.03902555       5.87272835    
 H    7.23048115      0.158352256       4.60735607    
 O    6.21292257      -1.28587627       3.81409812    
 H    6.61718416      -1.87470913       3.18062878    
 H    5.81446838      -1.84664524       4.49837971    
 O    4.79490232       4.37864685       5.04047203    
 H    5.46043348       4.03018379       4.43627834    
 H    5.23126984       4.67174387       5.85692692    
 O    3.06162977       1.73970187       11.7330666    
 H    4.01390409       1.72390020       11.8872070    
 H    2.91910386       2.37211752       11.0150862    
 O    1.90929461       1.74847078       7.42654610    
 H    1.22191823       2.04254651       6.81844664    
 H    2.72272849       1.74088883       6.89571190    
          69
 Energy    -249.88641892061059     
  O     -7.57755925     -3.34231481      5.85503457
  H     -6.84272633     -2.85615998      6.24353959
  H     -2.73323281      1.31909358      3.05397557
  O     -9.19649268     -2.14338655      2.82681072
  H     -8.35791080     -2.76953329      5.89813302
  H     -6.45391104     -1.08519845      3.03216978
  O     -7.53003517     -4.37598376      3.38709864
  H     -8.53179824     -1.47313217      3.05122259
  H     -7.05225551      0.30638919      2.64282417
  O     -4.66733236      0.61483173      0.60834479
  H     -8.75936795     -2.99675541      2.94405863
  H     -4.77484531     -2.05241936      7.51315618
  O     -6.80682523      0.39818008      5.91958854
  H     -7.51941439     -4.06870635      4.31400146
  H     -4.79387276     -1.79308684      5.98655313
  O     -4.95908200      5.16296248      1.92499608
  H     -7.69334741     -5.31431651      3.40874486
  H     -0.69583069      2.97225675      2.95470235
  O     -9.71632565      1.53540366      0.90682321
  H     -4.95914518     -0.21472023      0.21760594
  H     -2.12905133      3.41990569      3.33582704
  O     -9.82799216     -1.71697357      5.57835004
  H     -5.48886510      1.07989077      0.84048102
  H     -9.56373262      2.00970452      4.29112197
  O     -3.95241412     -1.70697717      4.48055996
  H     -6.33535267     -0.30698930      6.37944121
  H     -8.71039397      3.02531082      3.49750364
  O     -3.50355070      3.22209851      0.66824736
  H     -6.91132974      0.10142939      4.99956958
  H     -5.71564046     -2.43100544      1.47001576
  O     -6.11968853     -1.73048226     -0.21143128
  H     -4.48769564      4.48331025      1.41093108
  H     -6.21571697     -3.30592366      2.66535474
  O     -3.48577512      0.72325015      3.15610056
  H     -4.93684690      5.96244284      1.40582895
  H     -9.13681811     -0.21711069      0.36988289
  O     -7.06226559     -0.38797043      3.31231450
  H    -10.38444594      2.03708735      0.44749893
  H     -9.00877818     -1.56888884      1.07431666
  O     -5.34513532     -1.80482994      6.79087404
  H     -9.74198669      1.82696661      1.83660898
  H     -9.71603559      1.52780252      6.79058258
  O     -1.61755720      2.80080007      2.78416670
  H     -9.86211883     -1.85144587      4.62251126
  H     -8.49773298      0.91609974      6.06077825
  O     -9.50343508      2.47598974      3.44897263
  H     -9.82597286     -0.76275983      5.71115771
  H     -3.86249440      4.81832790      3.49379929
  O     -5.59127382     -2.61290668      2.40980655
  H     -3.67240495     -0.86264204      4.10378416
  H     -3.91474152      3.75362229      4.60399422
  O     -8.72815019     -1.08585131      0.28447625
  H     -4.40176735     -2.16856498      3.75999022
  H     -4.56828778      1.72095742      4.26068548
  O     -9.44236230      1.12781421      5.96829961
  H     -3.84126070      2.34070389      0.46694480
  H     -5.63516776      1.71051059      5.38307938
  O     -3.32785904      4.39193234      4.17497903
  H     -2.74955232      3.08573595      1.25600864
  H     -7.88676433      1.68975806      1.07336815
  O     -5.08257537      2.29362625      4.84806126
  H     -6.08500111     -2.19007601     -1.04644426
  H     -6.94647801      2.45748470      2.04182009
  O     -6.98426808      1.72457616      1.41246709
  H     -7.04862440     -1.46949131     -0.07850128
  H     -6.36623249      4.34897565      2.84840996
  O     -6.91701691      3.71483202      3.32577666
  H     -3.87047212      0.60628439      2.27640359
  H     -6.32337408      3.24756407      3.93241058
          69
 Energy    -249.88561920421432     
  O     11.91860853      8.87837013    -15.77984575
  H     12.63506316      8.32030411    -16.11328795
  H     17.10844627      5.51758649    -15.21243346
  O     16.13719513      6.57111924    -12.50615033
  H     12.25954091      9.77981885    -15.78525911
  H     19.48778147      9.13629308    -12.77102067
  O     15.62484151     10.68870489    -10.86189170
  H     16.35658627      5.86613734    -13.13263282
  H     20.41113342      9.44855271    -11.57247754
  O     17.26529920     10.73487855    -14.90126837
  H     15.29023040      6.37631486    -12.08271237
  H     14.77293023     10.93689432    -16.72223423
  O     13.99673581      4.67527966    -15.63399043
  H     16.17710568      9.89553203    -10.82172725
  H     16.28506901     10.85904453    -16.45513122
  O     13.55215695      9.69436948     -9.32240544
  H     14.90145155     10.53622185    -10.23760253
  H     15.77886265      7.80099142    -13.70783916
  O     13.75177577      6.41288703    -11.11460903
  H     17.41641348     11.21681384    -14.07469389
  H     15.04320612      8.07858673    -15.07491735
  O     14.10491902     10.39528974    -13.14956781
  H     16.69971627      9.98209561    -14.67966912
  H      9.77805089      7.56299692    -13.87470460
  O     17.63594931      7.17300672    -16.05444979
  H     13.46586872      4.89237305    -14.84544081
  H     11.10108620      8.07992930    -14.49290247
  O     15.26089896      7.38205206     -8.90655505
  H     13.62922606      3.87629502    -16.00224366
  H     16.90110032      7.67296051    -11.34746847
  O     19.33547406      8.87969430    -14.50030516
  H     12.95830393      9.39290342    -10.02214550
  H     18.03632487      8.65879212    -10.96847755
  O     16.65067358      4.92027926    -14.60674654
  H     14.03177420      8.90987422     -9.02950768
  H     12.92873009      5.56876878    -12.60744297
  O     19.49493523      9.38863215    -11.83057838
  H     13.25854274      7.22243565    -11.31854139
  H     11.86813605      6.09329427    -13.59514025
  O     15.60866424     10.67249286    -17.12239934
  H     14.18207749      6.57077893    -10.26583767
  H     17.03918497     11.55768136    -11.78174144
  O     15.62631823      8.45876198    -14.40218008
  H     14.62835008     10.64442878    -12.37528818
  H     18.44881075     11.03354756    -12.10849017
  O     10.72057724      7.59752533    -13.73625320
  H     14.59902933      9.69129734    -13.59365051
  H     16.22381624      8.32056417    -19.16317995
  O     17.17541970      8.32620246    -10.68533718
  H     17.05954558      7.62538789    -15.42413196
  H     15.94151660      9.15018670    -17.88763503
  O     12.54915415      5.41855588    -13.48170602
  H     17.31064325      7.45292349    -16.91844395
  H     12.87613905      9.34823680    -12.25352573
  O     17.79171120     11.68848868    -12.37327658
  H     16.01089466      7.72027759     -9.42316534
  H     11.66502776      8.38868703    -12.33886320
  O     16.10535313      8.24803014    -18.22027927
  H     15.62290731      7.03604532     -8.09438511
  H     12.94337595     12.28663381    -15.54695330
  O     12.34064195      8.72850747    -11.73915623
  H     19.04818552      8.15277304    -15.06242626
  H     13.54278257     11.16484399    -14.67127284
  O     13.26266838     11.38766282    -15.57491214
  H     18.77542225      9.62702299    -14.75466186
  H     14.74939630      7.52058004    -17.17196894
  O     14.13236650      7.33666174    -16.45199501
  H     15.79034736      4.73714535    -15.00466118
  H     14.10686040      6.38377983    -16.29451318
          69
 Energy    -249.88516271618425     
  O     12.48599505      2.39037991    -12.58142788
  H     12.43121742      3.21598259    -13.07984613
  H     10.25936713      4.36728418    -13.46477051
  O     11.60909117      1.20401391     -8.29855932
  H     11.64682096      1.93966010    -12.73258385
  H      8.83684820      6.71318720    -10.66279802
  O      8.60085167      6.42002569    -14.67792140
  H     11.08469136      1.86515607     -7.81019705
  H      8.61170045      8.05892193    -11.39654395
  O     10.90706241      5.69674492     -7.40584761
  H     11.82401473      0.51165847     -7.67920386
  H     11.87246497      5.45421851    -10.56503687
  O      9.83691618      1.32590745    -12.89182442
  H      8.68981321      5.53901817    -14.29134811
  H     11.86903103      4.04535257     -9.94942647
  O     13.20161905      2.78569596     -9.97774616
  H      9.44838479      6.60222987    -15.10344662
  H     12.73734850      6.30851408     -7.38559169
  O     11.96935875      4.94636161    -13.72474485
  H     10.39289731      6.51207988     -7.44602758
  H     14.00236724      6.16240715     -8.25656103
  O     11.67326924      8.52032867    -11.03834293
  H     11.07788884      5.44010017     -8.32559977
  H     10.23257218      1.04244509     -9.61087787
  O      8.12595767      8.57082797    -13.09889770
  H      9.68957038      1.21669265    -11.93508248
  H      8.85369312      1.70631772     -9.79614038
  O      7.82719405      3.09077717     -8.98697495
  H      9.59586893      0.50092090    -13.30427002
  H     14.29100390      4.20413663     -9.73231993
  O     10.91371096      9.04149552    -13.68345408
  H     12.76080877      2.14712518     -9.40428899
  H     15.69551400      4.84090270     -9.64161111
  O      9.34768298      4.04862490    -13.37822717
  H     13.01427724      2.55637314    -10.90286139
  H      8.82349149      4.61034487    -11.73659565
  O      8.98324624      7.66698661    -10.59555976
  H     11.82049795      5.59202729    -14.42621793
  H      9.69227789      4.83653136    -10.48272516
  O     11.35621604      4.86137363    -10.00489393
  H     12.42882473      5.42040708    -13.01546353
  H     12.76615162      7.15112135    -11.40398293
  O     13.55978353      6.74979000     -7.63423978
  H     10.77283068      8.19521002    -10.91052668
  H     13.81265764      6.04127589    -10.98783524
  O      9.49118421      1.12119511    -10.22266996
  H     11.97275701      8.84017972    -10.17402983
  H      9.20544213      3.09313838     -7.65333623
  O     14.76466906      5.04988568     -9.66216578
  H      7.38129879      9.06271692    -13.43427918
  H     10.32543052      3.97606382     -7.06152270
  O      8.78071787      4.89494286    -10.81383367
  H      8.21880033      7.78148352    -13.66302443
  H     11.36559325      8.88399129     -8.11001642
  O     13.12641920      6.27896293    -11.62286652
  H      6.88272607      3.14069809     -8.86426293
  H     12.81230462      8.35209123     -8.12716409
  O     10.02466911      3.06085035     -7.14461079
  H      8.06433025      3.77714620     -9.63313886
  H     11.65420202      7.37828860    -16.28983608
  O     12.24950961      9.07550713     -8.44234062
  H      9.96332885      9.05567912    -13.51854852
  H     11.23205216      7.78956823    -14.85903839
  O     11.27935093      7.04081694    -15.48092265
  H     11.32613172      8.99130847    -12.81069491
  H      8.83885266      8.63577862     -7.48726237
  O      9.52834612      8.13140298     -7.91234471
  H      9.40333981      3.08796656    -13.30603425
  H      9.26544682      8.02961683     -8.84153103
          69
 Energy    -249.88328027347728     
  O     13.05711871     10.40061833    -16.50447355
  H     13.00404886     11.31397374    -16.19513592
  H     15.56039491      6.20681373    -17.44765235
  O     16.20227033      8.13044264    -12.96884823
  H     12.33028761      9.91584467    -16.09207187
  H     18.27757770     10.43783211    -12.26176561
  O     15.44735763     12.11163168    -11.07421493
  H     15.85784152      8.76702329    -13.61506738
  H     18.24667627     11.79750892    -12.97876588
  O     16.00999443     13.36080252    -15.17448072
  H     16.56703632      8.64495774    -12.23798104
  H     17.83132308     10.67723704    -16.28750580
  O     13.14180644      6.68671133    -15.13711828
  H     14.74907572     11.89154041    -11.70923430
  H     16.52756231     10.63177602    -17.16306324
  O     12.11194937      9.38539064     -9.74770464
  H     16.07954685     12.66577175    -11.54905650
  H     15.93637938     10.41062137    -15.21615605
  O     13.79711077      6.94985196    -12.49474024
  H     16.40528891     12.68526607    -15.74522162
  H     14.48429969      9.92534318    -15.35671474
  O     13.63041898     11.35739664    -12.99005994
  H     15.05697301     13.29796198    -15.29359076
  H     10.27450545      8.66584474    -15.12287840
  O     17.53962024      7.36706110    -15.29247281
  H     13.86200499      6.81552153    -15.76752841
  H     11.40065223      9.00475163    -14.12117412
  O     13.55665786      6.91043484     -9.76016308
  H     12.48503866      7.36833611    -15.31313636
  H     15.01937314      7.99129789     -9.14314064
  O     19.16646242      9.72201816    -15.39808151
  H     12.73521973     10.03250625     -9.39623934
  H     15.16647042      9.46137767     -8.71457021
  O     15.38646987      6.97079483    -16.90248284
  H     12.52717663      8.52231957     -9.61722344
  H     16.79513346     13.44465967    -13.64006368
  O     18.62990564     10.91407522    -13.02459921
  H     14.69586092      7.30167130    -12.58489969
  H     17.73390957     14.24690847    -12.70869999
  O     17.02446160     11.15513907    -16.51489645
  H     13.52702390      6.68227794    -13.38497400
  H     16.55271583     10.59358885    -10.99664355
  O     15.21312947      9.99826792    -14.72715884
  H     13.00854520     10.66241279    -12.73921219
  H     16.76206829      9.30470139    -10.17862604
  O     11.20259188      8.87963421    -15.06445515
  H     14.29366865     10.92851932    -13.55540481
  H     14.64949878     11.56281855     -9.54994962
  O     15.67057336      8.65711742     -8.89116430
  H     17.17887779      7.45978258    -14.39979785
  H     14.17557092     11.77326597     -8.09648103
  O     17.24744937     13.42948190    -12.77716144
  H     18.15552818      8.10149635    -15.39835130
  H     15.35686889      8.68132917    -17.72212464
  O     17.09629214      9.79660812    -10.94275616
  H     13.62800880      6.82542365    -10.72580482
  H     14.44912449      9.91877682    -17.71227659
  O     14.19367547     11.13591738     -8.80659076
  H     13.35876366      6.03974540     -9.42423880
  H     12.66892641      8.39648241    -12.50585273
  O     15.31116092      9.60147287    -18.01238193
  H     19.01522155     10.13067262    -14.52629489
  H     11.89414173      9.29552386    -11.51588883
  O     12.04981896      9.13935695    -12.45897354
  H     20.10852327      9.73184815    -15.54524389
  H     12.50263623     13.63930903    -15.07165057
  O     13.13093831     12.93107621    -15.19006024
  H     16.17287520      7.09222498    -16.34127482
  H     13.21035173     12.47802264    -14.33343365
          69
 Energy    -249.88271733068774     
  O      0.38732455     -0.44965533      3.20165353
  H      0.42276541      0.46353812      3.51353729
  H     -2.75190943      4.67105312      0.63049764
  O     -2.68940847      0.48747139     -3.49097462
  H      0.90762426     -0.52456122      2.38715267
  H     -0.38358053      3.69889702      1.30337643
  O     -1.13684186     -2.28517398      4.70668505
  H     -1.88476229      0.65499666     -2.97209662
  H      0.47721637      2.95723602      2.33895816
  O     -4.44902657      0.15229212     -1.27883863
  H     -2.57956550      0.94217962     -4.32229630
  H     -1.73440624      1.33752703     -0.54913201
  O     -2.25653783     -2.34463561     -2.99043000
  H     -0.49687924     -1.70588756      4.27042644
  H     -3.25417570      1.12750497     -0.35708941
  O     -0.24011123     -1.93378042     -1.12073291
  H     -1.94696541     -1.76794268      4.80235505
  H     -2.20761929      0.34176869      1.39043561
  O     -2.53748847      2.77384963      3.65088105
  H     -4.31604950     -0.79309640     -1.10894932
  H     -1.19640462     -0.35660730      2.36463968
  O     -4.55870962     -3.30923853      3.31097107
  H     -4.03022912      0.33146563     -2.12945704
  H     -4.84513370     -2.70466477     -0.20973013
  O     -0.53359037      0.74214043     -1.76941375
  H     -2.96234858     -2.55676686     -2.36528881
  H     -3.30478689     -2.75401018     -0.21693893
  O     -5.07120871      1.43980313      3.56804502
  H     -2.46689946     -1.46687978     -3.32853860
  H      1.70589717      0.22395826      0.29063888
  O     -3.57049083     -0.86463691      4.24522616
  H     -0.69940803     -2.33452324     -0.36867142
  H      1.10267407     -1.17685492      0.07514056
  O     -2.25240455      4.02716673      1.12497210
  H     -0.77654360     -2.17513135     -1.88998265
  H     -0.87375194      2.36294051      3.97041336
  O      0.49012848      3.31410631      1.44229417
  H     -3.38145939      2.30756464      3.65186553
  H      0.36728023      2.57787191      4.86823321
  O     -2.48002222      1.56431454      0.02331911
  H     -2.52920348      3.31413701      2.85054491
  H      1.27662791      2.47132406      0.15581695
  O     -2.08292644     -0.41027253      1.97869330
  H     -4.31051335     -2.47598696      3.73567773
  H      2.47580215      2.38909661     -0.82016980
  O     -4.07444268     -2.56077494     -0.77268601
  H     -3.75210714     -3.83594762      3.28361586
  H     -1.53343509     -5.24178117      3.55337816
  O      1.55789623     -0.62523204      0.72286967
  H      0.26122983      1.21335501     -1.49001065
  H     -1.57644749     -3.71624009      3.80999931
  O      0.08700023      2.21236576      4.03306585
  H     -0.41525019     -0.18860637     -1.52391721
  H     -1.83795268     -3.53541568      1.60653079
  O      1.66791801      1.95021096     -0.56836233
  H     -5.86918444      1.83555453      3.90916375
  H     -1.99825045     -2.02495921      1.28580399
  O     -1.91592716     -4.42817335      3.23743223
  H     -5.31407140      1.01105536      2.72847142
  H     -6.91898062     -3.16104370      1.24594630
  O     -1.87964741     -2.89993527      0.88341869
  H     -4.17042023     -0.11346901      4.28898191
  H     -5.56012831     -2.95569217      1.95677520
  O     -6.09700167     -2.68129911      1.19103025
  H     -3.06941068     -0.72285856      3.42514917
  H     -5.46007086      0.31224299      0.35646940
  O     -5.77184633      0.16011584      1.25589715
  H     -2.39745596      3.16442528      0.69627930
  H     -5.95008182     -0.78777877      1.30368346
          69
 Energy    -249.88255845658338     
  O     -5.75868149      3.76439036     -2.51744174
  H     -5.78798079      3.31265048     -1.65661667
  H     -0.31602137      1.10552295      2.17483273
  O     -1.27188735      2.74344912     -4.01071217
  H     -6.45697937      4.41447724     -2.50967678
  H     -0.66916201      2.89661296      0.92407717
  O     -5.68064205      2.29561590     -0.19332107
  H     -1.85749605      3.36494663     -3.53919833
  H     -1.37771137      4.03762262      0.10126642
  O     -3.16289287     -0.29172591      1.56847606
  H     -1.09467662      3.12771190     -4.86495204
  H      2.47741113      0.05797724      2.40806558
  O      0.07622382     -0.77189167     -1.14063595
  H     -4.73626982      2.07599045     -0.25807698
  H      2.55188154     -1.11098476      1.41091045
  O     -3.00847719      0.67901275     -3.23094375
  H     -6.14511433      1.46509780     -0.34645925
  H      2.72601322      1.92238461      1.24090766
  O     -4.24783611     -1.72660939     -0.57606553
  H     -2.24571991     -0.55671333      1.72598453
  H      3.36985857      2.51586023      2.51588236
  O     -2.21581118     -1.85825043     -2.34466822
  H     -3.13506300      0.33837581      0.83048752
  H     -4.80419321      0.88018179     -3.49532338
  O      0.40958028      1.87327217     -1.92477377
  H     -0.68566228     -1.18393389     -1.56472726
  H     -5.83556490      2.00797380     -3.33175001
  O     -0.40650380     -0.64417763      1.63469910
  H      0.14411807      0.14045020     -1.45868557
  H     -2.01011704      2.24625756      3.01889540
  O      2.71115595     -1.29640455     -0.51672587
  H     -2.33714666      1.25951224     -3.60996287
  H     -3.18528221      1.30836772      2.71552337
  O     -0.17632334      2.03397396      2.41380716
  H     -2.63446716     -0.19916021     -3.08636315
  H     -7.46264642     -0.59597218     -1.31763785
  O     -0.90954935      3.19689209      0.03607840
  H     -5.07342300     -1.26846330     -0.77245465
  H     -6.35624802      0.18794719     -2.06467720
  O      2.26125116     -0.87678809      2.30151836
  H     -3.94763488     -1.38528281      0.27768433
  H     -2.34700288      2.12876585     -0.37253949
  O      2.63020698      1.99970257      2.20685710
  H     -2.94862040     -1.84615860     -1.70086849
  H     -3.04104269      1.25070680     -1.46648733
  O     -5.75579625      1.05672637     -3.46996139
  H     -2.26051644     -2.69811441     -2.79376513
  H     -2.52713560      6.30529008      0.26729067
  O     -2.97347726      2.19672505      3.02742927
  H     -0.00066223      2.39025050     -1.21258459
  H     -3.26624692      4.97642652      0.55898324
  O     -6.60003249     -0.20450262     -1.20713725
  H     -0.01681019      2.16431539     -2.73822061
  H     -2.82214015      4.78049136     -1.81425314
  O     -3.07425079      1.51704417     -0.53991277
  H      0.45854426     -0.85522327      2.01384505
  H     -3.92418764      4.17942935     -2.70490275
  O     -2.60636710      5.40039942     -0.02096390
  H     -0.29847457     -0.69328792      0.67563026
  H     -3.88956628      3.48304702      2.15188549
  O     -2.97792426      4.36687922     -2.67165998
  H      3.08530901     -2.01520575     -1.01950088
  H     -5.00701184      3.56217276      1.09039056
  O     -4.34697265      4.09197018      1.55133851
  H      1.77910184     -1.22208304     -0.78299317
  H      2.95949840      0.60215996     -0.54997190
  O      2.83337846      1.55668769     -0.47686783
  H      0.78019016      2.14378855      2.48109645
  H      2.09768900      1.76799201     -1.06549013
          69
 Energy    -249.88236150992154     
  O     16.37330267     11.64131077    -12.40192716
  H     17.01599664     10.95360474    -12.19210932
  H     12.76108152     12.08391637     -9.18302763
  O     17.41433819      7.48984480     -8.11428301
  H     16.22014280     12.10472185    -11.56882300
  H     14.32568266      9.69121341    -14.84495604
  O     15.89161751      5.75316703    -11.12917145
  H     17.93342832      7.22852193     -8.88372485
  H     14.97486181      8.48606946    -14.16742233
  O     12.53837059      5.25398687     -9.74472015
  H     17.23583698      8.43243061     -8.22705227
  H     19.16848800      6.09508554    -10.90730450
  O     17.78339691      9.43250841    -11.27667473
  H     15.19951053      5.28433422    -11.61154824
  H     17.63462431      6.26974074    -10.90427070
  O     15.94042478     12.72865567     -9.80121487
  H     15.51914535      5.99864592    -10.26774294
  H     14.40944203      7.37912015     -8.60998114
  O     10.01433650      9.96640387     -9.75806374
  H     12.86363110      4.99392450    -10.61429622
  H     15.75980755      6.71217710     -8.31864838
  O     16.48690695     10.10727523     -8.90719653
  H     13.31110270      5.54757584     -9.24540624
  H     12.96145104     11.48402676    -13.05392457
  O     13.18368931      8.86093988    -11.43046753
  H     17.37643582      9.66616489    -10.42777502
  H     11.49837569     11.19674644    -12.52364283
  O     10.98616932      7.43723430    -10.37048615
  H     18.21028567      8.57726088    -11.14638068
  H     10.71690755      7.52270385    -13.45265019
  O     12.60908936      7.09905661    -13.63969691
  H     16.19505119     13.59377580     -9.49222770
  H     10.12926101      7.58106228    -12.03829573
  O     13.26090771     12.54055516     -9.86970899
  H     14.96593935     12.70155440     -9.79579804
  H      9.79599810      9.61299826    -12.80825073
  O     14.40468103      8.73308800    -14.91044455
  H     10.19823441      9.01924689     -9.83880235
  H      8.96428816     10.90184120    -13.00461306
  O     18.47341427      6.71708724    -10.70587648
  H      9.84711076     10.28018561    -10.65273380
  H     11.12636921     10.62038773     -8.60539953
  O     14.87413046      6.53303090     -8.66709086
  H     16.39633823     11.05078748     -9.09172090
  H     11.41128800     11.14754071     -7.17859493
  O     12.41521774     11.36041332    -12.26626139
  H     15.58493450      9.77292101     -8.80084390
  H     13.22489093      5.55489428    -12.92361005
  O      9.97742348      7.87932901    -12.94664855
  H     14.06529324      8.67782694    -11.78843333
  H     13.35914881      4.01725357    -12.92811703
  O      9.76655410     10.56660348    -12.61318939
  H     12.91753323      9.74804561    -11.71088124
  H     14.55763697     12.22059421    -14.91000227
  O     11.82988881     10.93115856     -8.00725687
  H     11.36700922      6.60803193    -10.05107524
  H     15.11035894     11.58285918    -13.61612792
  O     13.59084083      4.80025527    -12.43407518
  H     11.74021770      7.95805005    -10.68066095
  H     13.64521138      9.08538066     -9.68970516
  O     14.36957568     11.55914913    -14.24882255
  H     12.63905248      7.65624959    -12.85082457
  H     13.19911130      9.70507604     -8.34711847
  O     13.86693534      9.13743107     -8.74967834
  H     13.14761346      7.57522795    -14.28927857
  H     16.36584460      8.69810342    -12.11971889
  O     15.62545063      8.17618239    -12.45331104
  H     12.92156505     12.21635221    -10.71480482
  H     15.71904307      7.29284939    -12.07460877
          69
 Energy    -249.88225375240341     
  O     -1.39030258     -0.73594827      2.83910436
  H     -1.46842120     -0.19710487      2.04047612
  H      1.16483450      2.65332726     -0.48110554
  O      0.75393113     -1.54255943      6.36199852
  H     -2.11288025     -0.47730912      3.43210551
  H      0.77840961      5.41127287      4.07304389
  O     -5.70902264      1.21366709      1.31033597
  H      0.05528386     -2.17052881      6.10470813
  H     -0.10581632      4.54487824      3.14500403
  O     -5.50194328     -1.07118311      2.85925216
  H      1.42883083     -2.04992921      6.80480358
  H     -0.18391836      3.20161418      5.01479196
  O     -4.26980663     -2.81600100      0.94446214
  H     -6.61330128      1.48439791      1.17056787
  H     -0.13241375      1.65734589      4.96122833
  O     -1.72866674      0.99819756      0.71913405
  H     -5.73893323      0.44033574      1.89796768
  H     -0.57068024      3.87544404      1.07434961
  O     -3.91344523     -0.41998559     -0.26851782
  H     -4.78767806     -0.72266136      3.41769210
  H     -1.96285519      4.00494305      1.72848164
  O     -1.26182168     -3.22903826      5.68473361
  H     -5.10516267     -1.69597471      2.23734647
  H     -0.32903380     -0.19419674      7.16800417
  O     -3.72405374     -3.16482614      7.16480655
  H     -4.08085867     -2.01017804      0.43120771
  H     -0.82405810      1.24176956      6.88599377
  O     -4.78240345     -3.22886674      4.68223260
  H     -4.73393691     -3.40994427      0.36011129
  H      1.53420245      3.07976595      3.10669782
  O     -3.43509823      2.81318713      1.97624150
  H     -0.92560759      1.45772756      0.44604494
  H      1.59158268      1.53686769      3.14927585
  O      0.54332102      2.54252592      0.23276517
  H     -2.28961988      1.64876451      1.16720104
  H     -3.51677486     -0.26685467      5.35487532
  O      0.50242449      4.51446121      3.90523592
  H     -4.59020956      0.17273302      0.07877282
  H     -3.46340028      0.96354627      4.42698656
  O     -0.57911131      2.40312985      5.38724438
  H     -3.07175451      0.01781346     -0.07977491
  H     -2.62759239     -0.10209178      7.36107278
  O     -1.08507484      4.40518313      1.69644243
  H     -1.58354284     -3.39561766      4.79091941
  H     -3.62889595     -1.30864541      7.33246057
  O     -0.97127749      0.46986578      7.44731650
  H     -2.03587265     -3.25420017      6.25995953
  H     -4.80750853      2.55270033      7.89919346
  O      1.81817009      2.30476408      2.60682669
  H     -4.07670607     -3.84728064      7.72929207
  H     -4.35560226      1.27871577      7.16941120
  O     -3.50057978     -0.00188187      4.42629400
  H     -4.20278170     -3.22338398      6.31771756
  H     -1.96307601     -2.43584570      2.96357974
  O     -3.54838410     -0.35959257      7.18762577
  H     -5.32387983     -2.57678521      4.22763816
  H     -3.00582945     -3.31596855      2.27536160
  O     -4.64350949      2.19522506      7.03001832
  H     -3.97653625     -3.30279921      4.15091766
  H      0.06498729     -0.14424671      3.67065760
  O     -2.45047625     -3.26807023      3.06364246
  H     -3.41990367      2.87557806      2.94358495
  H      0.92685480     -0.35836774      4.93586909
  O      0.76985508      0.25138540      4.20505859
  H     -4.26604294      2.38711827      1.73500644
  H     -3.78937026      2.69904653      5.51590569
  O     -3.24824815      2.73794744      4.71413035
  H      1.06522371      2.41282910      1.04546196
  H     -2.32055809      2.66956167      4.98385381
          69
 Energy    -249.88219097637980     
  O     10.57904195      8.96685798    -11.03612724
  H     10.14927811      8.60835681    -11.82290969
  H     14.60900810     12.50301882    -13.82499308
  O     13.90354052      7.69256014    -15.13817235
  H     11.17883413      9.65479329    -11.35169476
  H     15.32053570      9.23366424    -12.60692467
  O     17.29392998     10.48572513    -10.65873139
  H     14.43686669      7.61337391    -15.93658380
  H     15.73268971     10.04774519    -13.85692253
  O     15.65462065     10.66779521    -16.70976318
  H     14.41464232      8.26861000    -14.54578604
  H     11.04601908      6.63434255     -8.92915706
  O     11.66454190      9.20316713    -14.61933478
  H     17.74986201      9.65931660    -10.45523547
  H     11.16483044      7.59326348    -10.13916148
  O     16.79907319      5.99820621    -10.81017211
  H     16.35017310     10.27676653    -10.65572360
  H     19.11554639      9.57144168    -13.17125858
  O     13.88337089      5.71492166    -13.19814785
  H     14.70150911     10.82248514    -16.61276246
  H     18.78522984      8.15541303    -13.70428685
  O     14.65944401      9.58467914    -10.96196645
  H     15.77067205      9.73154785    -16.89751805
  H     12.08448373      5.48235940    -12.69481223
  O     16.60983699      4.92244920    -13.25892070
  H     10.92170453      8.66772490    -14.31596586
  H     11.26089675      5.82112185    -11.43304050
  O     16.14478064     11.79094637    -14.30817384
  H     12.37140019      8.59273056    -14.87531042
  H     18.06369276     11.13254441    -12.07676415
  O     16.03662849      7.78630579    -16.98830944
  H     17.43198819      6.70446557    -10.63122255
  H     19.17262792     12.04251098    -12.66080358
  O     13.70000794     12.79526539    -13.63687749
  H     15.92408583      6.32425578    -10.56234242
  H     16.76286975      7.95776206    -14.13769322
  O     15.57618997      9.15202663    -13.53357713
  H     13.82702056      6.34905515    -13.92695205
  H     17.14188160      6.45134229    -14.19269934
  O     11.49876846      6.76062986     -9.75820728
  H     14.75354770      5.30412910    -13.26446607
  H     19.53463718      7.90049525     -9.99004018
  O     19.34044638      8.63722276    -13.07824361
  H     14.45723381      8.66333295    -10.74712094
  H     19.01004729      8.19574253    -11.41566140
  O     11.18199658      5.58647789    -12.36609272
  H     13.86311347      9.97612077    -11.34729376
  H     12.42091003     10.59148070    -15.67074457
  O     18.52009330     11.38915126    -12.89990856
  H     16.98706915      4.04729068    -13.28094367
  H     13.13297303     11.89826153    -15.30635063
  O     17.33638427      7.31291231    -14.58312526
  H     16.73603969      5.26213368    -12.35278251
  H     13.28048178      6.80085817    -10.21171448
  O     18.73622178      8.03058147    -10.49561699
  H     16.13272511     11.47590766    -15.22761957
  H     14.02590437      6.51997636    -11.54095266
  O     13.01404399     11.26612738    -16.02447462
  H     17.03726271     11.72567094    -13.94826771
  H     12.82235913     11.45675589    -12.67428717
  O     14.13463617      6.88937939    -10.65287290
  H     16.60546927      7.58564595    -16.22636300
  H     12.20877383     10.11598687    -13.12659079
  O     12.47019667     10.62128748    -12.34279673
  H     16.44302600      7.38091886    -17.75000092
  H      8.83889792      7.29502633    -13.67867764
  O      9.69920656      7.60723108    -13.41198955
  H     13.72826234     13.74512678    -13.55664148
  H     10.19765105      6.83068267    -13.10020930
          69
 Energy    -249.88112596835805     
  O     15.13137322     11.06089757    -14.78174485
  H     14.51873359     10.82391892    -15.49118065
  H     17.91600440      4.96766196    -17.26455567
  O     15.14767550      5.82652176    -16.66216668
  H     15.95453513     11.31834324    -15.20771530
  H     19.74559303      7.80059987    -14.28289129
  O     17.48234839      7.19752687    -11.91638352
  H     15.68114366      6.46065770    -16.15442333
  H     19.77165703      8.12136446    -15.81153494
  O     19.97980837      9.30785806    -17.21323953
  H     15.75405776      5.47981607    -17.32527367
  H     17.18677042     10.48862011    -16.72010418
  O     18.21310100      7.85315452    -18.66198684
  H     16.84490344      7.84419271    -12.24592052
  H     18.68361383     10.57222782    -16.47270253
  O     13.36182478      5.81575462    -10.57163876
  H     18.35700791      7.59239509    -12.01814030
  H     17.63420500      7.60622128    -15.30140231
  O     14.83890606      4.64477661    -14.18363419
  H     19.40116044      8.78089051    -17.79556594
  H     16.35610603      8.17699300    -14.61582092
  O     15.64570798      8.99399508    -13.09682882
  H     20.74965666      9.53708832    -17.72666040
  H     17.14436186      2.67076131    -10.19506735
  O     18.68664117      4.86190183    -15.70336439
  H     17.40101960      8.35672579    -18.50995146
  H     16.55624368      4.08940654    -10.39900572
  O     14.00894377      3.46350254    -11.77742337
  H     17.98301416      6.92455764    -18.54031952
  H     13.65846945      6.92956756    -16.23759685
  O     18.18084863     10.44450083    -13.40222862
  H     12.62265731      5.74071106     -9.97408174
  H     13.14932543      7.42913156    -14.86650317
  O     17.47367199      5.11989360    -18.11968632
  H     13.50387082      4.93186315    -10.95752705
  H     19.34774552      9.31615847    -12.84121030
  O     19.48229573      7.47684013    -15.15259929
  H     15.75842007      4.62736653    -13.88069193
  H     20.60778164      8.87088457    -12.05191839
  O     17.84229896     10.92424733    -16.15668017
  H     14.86144363      4.86351791    -15.12359405
  H     17.30329115      4.05293075    -12.42658289
  O     16.68022152      7.71763026    -15.39831593
  H     14.91788997      8.35603610    -13.04801703
  H     17.47994189      5.54927457    -12.78494725
  O     16.71531746      3.23199571    -10.83488989
  H     15.34036934      9.75535043    -13.61562686
  H     16.64130829      6.31572299    -10.48869650
  O     13.09533807      7.59214180    -15.81556830
  H     18.27486755      4.63918981    -14.85946477
  H     15.22399833      5.88471747    -10.03597122
  O     19.88229870      8.54391632    -12.57621683
  H     19.12671039      5.70967353    -15.55105738
  H     12.67949260     10.37101887    -17.27539277
  O     17.42073231      4.66239216    -13.16643717
  H     14.15530651      3.72515527    -12.69737724
  H     13.26183226      9.17553729    -16.48144727
  O     16.16440108      5.71980570     -9.89563790
  H     14.87477061      3.19714701    -11.44423465
  H     14.16425651      6.17633679    -13.48470612
  O     13.47069831     10.05361059    -16.84952179
  H     18.11267777     10.65825839    -14.34322630
  H     13.50812908      6.72765531    -12.20432845
  O     13.78380510      6.97768164    -13.09445820
  H     17.30350518     10.14969367    -13.13704519
  H     16.25382769      8.73117000    -16.83815935
  O     16.07990376      9.30675620    -17.60038652
  H     17.71306081      4.38939376    -18.68397855
  H     15.15769751      9.57755387    -17.53155239
          69
 Energy    -249.88037827995902     
  O     -6.31586035     -2.48266850      5.19748648
  H     -5.75110119     -1.94479454      4.62452636
  H     -3.21370939      1.48523794      1.26931698
  O    -10.51243025     -2.19765214      4.22643854
  H     -6.95735507     -2.91975459      4.62624892
  H     -7.93802434     -0.73209125      2.35048007
  O     -8.36647211     -3.71872543      3.57359972
  H    -10.14217892     -1.45050551      4.71635378
  H     -6.73838406     -0.20063260      3.18819494
  O     -6.02254029      1.26661309     -0.18253509
  H    -10.86308089     -1.82845574      3.40619139
  H     -5.17653293      0.24304570      4.40965751
  O     -5.76373670      1.50831678      5.60863393
  H     -9.16274787     -3.24625068      3.87789723
  H     -4.53691898     -0.06813394      3.02088953
  O     -5.14835976      5.64303366      0.55225894
  H     -8.52705621     -4.64879648      3.71196919
  H     -2.24205142      3.49403921      1.03153183
  O    -10.68496492      1.57486780      2.06577019
  H     -6.78595288      1.64370058      0.27601617
  H     -1.13747627      2.75074632      0.24237941
  O     -7.02408331     -0.62767616      7.04021174
  H     -6.27813925      0.38394684     -0.48323892
  H     -8.68478122      3.10031274      4.85525203
  O     -4.48096592      3.47487921     -0.94299209
  H     -6.10531999      0.86927875      6.24351674
  H     -7.49331304      3.81612101      4.17548873
  O     -9.14031480      0.00121857      5.29420531
  H     -6.49388615      2.11974117      5.41573058
  H    -11.10914973      2.56309363      5.46704767
  O     -6.86402575     -1.29033622     -0.78504740
  H     -5.27788348      6.40803075     -0.00145651
  H    -10.06451413      1.49180683      5.07151032
  O     -3.97297715      1.06326829      1.68960201
  H     -4.95810156      4.89493508     -0.04238296
  H     -9.46986840     -1.80017977      1.31258357
  O     -7.66179960     -0.03465968      2.95750650
  H     -9.85613186      1.90986398      1.69730258
  H     -8.43441188     -2.76614581      1.96739220
  O     -5.03979584     -0.45416790      3.75016793
  H    -10.72169950      1.91221723      2.96898867
  H    -10.98983268     -0.10419202      1.79881233
  O     -2.06697133      2.73082196      0.45185202
  H     -6.91303983     -0.94284238      7.93284966
  H    -11.92310801     -1.15468191      1.15592020
  O     -7.74488405      3.29041963      4.94529176
  H     -6.76243981     -1.35670798      6.44819667
  H     -3.57519454      5.22494399      1.61280259
  O    -10.46247279      2.33819963      4.80267778
  H     -3.60688447      3.19818460     -0.64327894
  H     -3.28084699      4.28430060      2.79694282
  O     -8.55107627     -2.10141533      1.27566021
  H     -5.05665063      2.70686836     -0.82198247
  H     -4.68609984      2.57907400      4.47461211
  O    -11.12792740     -1.06051923      1.67350500
  H     -8.62501647      0.01823905      4.47150114
  H     -4.23515015      2.31823982      3.00953719
  O     -2.85971274      4.76954713      2.07389817
  H     -8.51502479     -0.17596961      6.00653675
  H     -7.89671780      1.50970323      2.05721120
  O     -4.36368864      3.01056342      3.67452236
  H     -7.46118505     -1.63558261     -0.10398716
  H     -7.59670800      3.02156710      1.82391129
  O     -8.04341157      2.25084546      1.44866011
  H     -6.76084830     -1.98987360     -1.42538781
  H     -6.21773471      4.89417378      1.89621889
  O     -6.57490995      4.32323140      2.58678098
  H     -4.69543118      1.09086590      1.04510856
  H     -5.80831168      3.88647545      2.98721626
          69
 Energy    -249.88006346612937     
  O     -2.69288723      1.31925295      3.83320124
  H     -2.67567450      1.40615474      4.79760132
  H     -0.42599175     -2.33656337      4.67277021
  O     -1.26806551      3.72473097      7.16950453
  H     -3.01724280      0.42817683      3.64928176
  H     -2.31492242     -3.71242255      7.41178113
  O      0.73186244     -1.59239023      0.66118360
  H     -1.14028247      4.06130283      6.26412858
  H     -1.91499893     -2.96699299      6.12037983
  O      2.23807217      0.28875217      2.07151381
  H     -1.46762286      4.47772897      7.71890065
  H     -0.00104058     -0.77422581      6.66379592
  O     -1.35137971      0.16298345     -0.25647029
  H      1.39636056     -1.04547218      1.09931165
  H     -1.15667489     -1.32134499      7.51468944
  O     -3.48280771     -1.32341044      3.73322459
  H      0.10447564     -0.97312193      0.26872171
  H      0.21430916      2.55355736      7.43638130
  O     -2.81249548     -1.71029893      1.05973781
  H      2.43848159      1.14188916      1.66956692
  H      0.44589457      1.04245323      7.63803570
  O     -2.42447032      3.62059608      2.41185725
  H      1.42091136      0.43412887      2.57330270
  H     -3.89562509     -0.09992911      6.53077734
  O     -0.84732150      4.52732634      4.63025972
  H     -1.62664636      0.13322988     -1.17021320
  H     -3.73951784     -1.62173108      6.70110417
  O      1.55257289      3.33875765      3.94398508
  H     -1.94079452     -0.44422203      0.22443918
  H     -0.88675605      1.09338763      3.65894113
  O      2.23392859      2.99388599      1.23509755
  H     -2.69191799     -1.83612708      3.94998140
  H      0.47539422      1.82535494      3.85518613
  O     -1.20979662     -2.85849853      4.44263534
  H     -3.96642522     -1.21753702      4.56491109
  H     -0.13167420     -2.90128288      1.40212568
  O     -2.25476557     -2.84349645      7.02229211
  H     -2.20523321     -2.44445396      1.21314017
  H     -0.50946716     -4.40009466      1.35316674
  O     -0.60078937     -0.54384447      7.39076723
  H     -3.23888615     -1.55078620      1.91219951
  H      2.33531549      1.99872298      6.51409461
  O      0.90282762      1.88000485      7.49500201
  H     -2.61530290      2.79292970      2.88704733
  H      3.81761130      2.43274797      6.45609766
  O     -4.32211760     -0.94433463      6.33505330
  H     -3.26433311      3.97474383      2.12981609
  H      3.20001089     -0.23710960      3.65030958
  O      0.06744263      0.96440749      3.69567750
  H     -1.40398781      4.34819575      3.86457405
  H      3.40274652      0.41613634      5.03069035
  O     -0.73119216     -3.57388940      1.77426433
  H      0.04459397      4.23944248      4.38724533
  H     -1.06681936      3.05855826      1.20893789
  O      3.10013699      2.10488342      5.91965864
  H      1.92013290      3.29611788      3.05193187
  H     -0.71406000      1.81284158      0.36479191
  O      3.42140447     -0.43260930      4.57088343
  H      2.20006424      2.97943918      4.56493818
  H     -1.87496537      0.67288596      6.85871140
  O     -0.38012520      2.67195421      0.65300381
  H      2.65361522      3.53124860      0.56955116
  H     -2.24393872      2.17477602      6.87087980
  O     -2.55810772      1.30538515      6.59357299
  H      1.29626762      2.90619813      0.97886248
  H      0.50834979     -0.41562621      4.67400853
  O      0.84908897     -1.18526815      5.15704517
  H     -1.04662947     -3.22554010      3.56465908
  H      1.80928052     -1.13834169      5.06511837
          69
 Energy    -249.87913151068392     
  O     14.78368039      8.83074123    -10.25237254
  H     14.59881104      9.68803886    -10.66328142
  H     14.16481568      4.54175390    -15.74573206
  O     12.63297388     11.42168719    -14.97038191
  H     14.00478464      8.27718163    -10.39397192
  H     17.38086254      4.22238363    -12.24128040
  O     16.71057488     10.95846347    -13.11399859
  H     12.42459231     10.64821177    -14.43130734
  H     18.88111707      4.50796858    -12.32850336
  O     13.56803649      5.17798192    -12.33823070
  H     12.77817845     12.14773802    -14.35097248
  H     12.86943107      6.54543976    -11.53656656
  O     17.88783871      5.89835291     -9.29362694
  H     17.38288982     10.71495914    -12.46233607
  H     11.79746643      7.01604023    -10.52863855
  O     15.82168390     13.17273341    -14.58644090
  H     15.85721614     10.93723395    -12.66175146
  H     17.84172154      8.41194294    -15.67876950
  O     16.14398542      7.51248279    -12.34820964
  H     14.36248548      4.92837111    -11.84291787
  H     19.11217728      7.89683654    -16.39251814
  O     14.19486926     10.99525196    -11.84891524
  H     13.80189701      5.10366809    -13.26981589
  H     14.37734188     13.45319253    -13.62837457
  O     18.84499720      7.70719018    -12.84659065
  H     17.73655114      6.84098520     -9.15738536
  H     13.31957827     14.32221932    -12.90431207
  O     18.49877879      9.99811062    -11.26073838
  H     18.66672941      5.82977079     -9.86076205
  H     12.35819316      8.59686210    -12.48454823
  O     17.15290161      5.23493255    -15.12926286
  H     15.56417584     12.71944945    -15.39792059
  H     13.20900857      8.71947950    -13.76537144
  O     14.48171008      5.16336533    -15.09665225
  H     16.31188511     12.51751300    -14.06914641
  H     14.48369528     11.67037889    -17.53473331
  O     18.15014972      4.11419683    -12.81708160
  H     15.55230480      7.58680595    -13.10681650
  H     13.97304399     11.38918646    -16.10280020
  O     12.52078528      7.32540906    -11.06772326
  H     15.74620016      8.01764256    -11.62899678
  H     16.08093692      5.82772336    -11.64002326
  O     18.53804943      7.73466416    -15.64806833
  H     13.61073213     10.39874627    -12.34158392
  H     16.59474388      5.15536976    -10.36187365
  O     13.55184076     13.42157156    -13.11172821
  H     13.94448157     11.89201690    -12.10088143
  H     19.64477378      6.47908741    -11.84578068
  O     12.57465729      9.19780438    -13.20679090
  H     17.89965324      7.60907672    -12.64761552
  H     20.91191505      5.84369688    -11.22893076
  O     14.77328636     11.44045440    -16.65588756
  H     18.91387740      7.72618873    -13.80749264
  H     14.46708626      6.96968330    -14.92004324
  O     16.04956559      4.99498752    -11.14482658
  H     18.15794949      9.61718957    -10.44311253
  H     15.18731111      8.37198896    -15.05446265
  O     19.96322460      5.75832343    -11.27593905
  H     18.80034283      9.24846738    -11.79207845
  H     17.21357715      9.07007962     -8.11592852
  O     14.49641301      7.87901862    -14.59428504
  H     17.66903592      6.01866048    -15.33935364
  H     16.32875576      8.74588288     -9.33804184
  O     17.23837323      8.70880012     -8.99949359
  H     17.57449078      4.80991453    -14.36649082
  H     15.97788844     10.18836200    -16.02923779
  O     16.51089839      9.58339310    -15.49776050
  H     15.45641776      5.12373609    -15.12103988
  H     16.64712623     10.01692602    -14.64020461
          69
 Energy    -249.87913086518381     
  O     10.72952824      8.68815368    -13.88026467
  H      9.79750043      8.49006058    -13.84633249
  H     19.20985649      9.33620916    -15.41893606
  O     17.30241142      7.71403588    -13.43352084
  H     11.05904486      8.64297643    -12.96472127
  H     12.76255300     10.53692606    -16.70687006
  O     16.51123608     11.94169813    -14.22457179
  H     17.81546846      8.53028799    -13.52430026
  H     12.71216963     10.75786544    -18.23682903
  O     15.84842627     10.69299440    -16.65704655
  H     17.60758976      7.10280047    -14.11679993
  H     15.41129549      9.36102913    -15.42265363
  O     15.82791703     11.73930100     -9.52505604
  H     16.37294360     11.70724881    -15.15201288
  H     15.85453160      8.41464772    -14.26454707
  O     15.68367613      7.72819585    -11.20778301
  H     15.66803531     11.73635933    -13.79295135
  H     12.31951715      7.53793449    -11.52249402
  O     14.10576214     10.97925750    -13.25513781
  H     16.48538653     10.34481689    -17.29415811
  H     12.45962651      8.99908748    -11.06323734
  O     17.75168634      9.49890005    -18.30557912
  H     14.97317935     10.66167810    -17.06608979
  H     20.24549371     10.71268401    -10.76147778
  O     17.50421721      9.42636837     -9.79522574
  H     16.31169181     12.13949136    -10.26941477
  H     18.79393984     10.17605381    -10.70653264
  O     16.43879363      7.04602687    -17.56337109
  H     15.75997172     12.40852183     -8.84949900
  H     13.35470269      5.20379094    -12.08986792
  O     18.14477733      6.26672131    -15.64312356
  H     14.97901655      7.10409837    -11.41914662
  H     13.34713942      6.39180811    -13.07669359
  O     19.34479711      8.82209353    -16.22645171
  H     16.30221367      7.68700905    -11.95261684
  H     17.89979099     10.75758434    -13.97468088
  O     13.21669870     10.33730420    -17.54561869
  H     14.41542149     10.18312391    -13.71620555
  H     19.01643121     10.31676693    -12.98440367
  O     15.09156456      8.83909317    -14.67564005
  H     13.99924407     10.72638681    -12.33054562
  H     17.10413841     12.59841152    -12.51606468
  O     11.82804146      8.36244111    -11.42371772
  H     18.25258029      9.72608973    -19.08381863
  H     18.15310791     12.13221852    -11.48598139
  O     19.42068168     10.69836878    -11.23893593
  H     18.39646900      9.29948415    -17.60214088
  H     13.32638215      7.19862774    -16.61332553
  O     13.51140974      6.14289799    -12.15170060
  H     16.92320070     10.15791706     -9.55027569
  H     13.47707330      8.42058914    -17.53807212
  O     18.60819171     10.11366830    -13.83574766
  H     16.93154658      8.73627241    -10.15143234
  H     14.62950927      9.19448986    -10.85269056
  O     17.35164527     12.66129178    -11.58546691
  H     16.79996518      7.83991907    -17.97284740
  H     14.53698173     10.59468012    -10.18943926
  O     13.69004883      7.48261775    -17.46007288
  H     15.47648077      7.14532516    -17.56035509
  H     12.70624407     11.06958252    -14.47812196
  O     14.02990178      9.93546322    -10.67905164
  H     18.47276064      5.39405129    -15.84011550
  H     11.50073142     10.15778614    -14.75729897
  O     12.05968001     10.83497015    -15.15752183
  H     17.48503407      6.48189952    -16.32908031
  H     12.15499467      7.63417330    -14.51879395
  O     12.95920976      7.12485696    -14.68290963
  H     19.09601716      7.91448044    -16.01263778
  H     13.69653226      7.75667210    -14.72111325
          69
 Energy    -249.87896437486961     
  O      3.11043136      1.40392926     16.75612062
  H      2.58122740      1.41725127     15.94015501
  H      0.30867930     -1.15606196     17.71321226
  O      1.80686530      1.13454181     11.85539994
  H      3.98307188      1.10547653     16.51269301
  H      2.71440094      3.00540908     17.75147632
  O     -0.04488497      4.16774422     16.94914857
  H      1.07887776      0.52070117     11.69396086
  H      1.95751362      3.33424250     19.05549712
  O      0.52124110      3.66480111     11.60206313
  H      1.47125722      2.00925778     11.61746113
  H     -2.91148357      0.19285120     19.24590455
  O     -0.53570452     -0.53123345     11.85917234
  H      0.82267605      4.16301493     17.37682948
  H     -3.87776167      1.36535950     18.92323470
  O      1.14943660      0.35281246     18.46736860
  H     -0.42904783      3.28633321     17.08535850
  H      0.49809576     -0.14281133     14.63205512
  O      0.98418295      2.39455393     20.41235405
  H      0.70881407      4.53550637     11.26121404
  H     -0.11932098     -1.32741554     15.43064425
  O     -2.28921337      5.16095783     18.10374429
  H      0.32925380      3.77064469     12.54954597
  H     -2.66583629      2.62395287     13.04834832
  O     -4.49622154     -0.70037916     16.71255836
  H     -0.40294253     -0.78261720     12.78797945
  H     -2.76763199      1.94488295     14.42643265
  O     -0.18639407      3.65919354     14.26352488
  H     -0.74987811     -1.33407774     11.38968328
  H     -2.15450317      2.57441855     20.11902810
  O     -1.85743309      2.03539826     11.51231470
  H      1.89537953      0.63552796     17.92120122
  H     -1.86137303      4.00639177     19.62942302
  O     -0.26716581     -1.72217036     17.18266397
  H      1.11705461      0.94946528     19.22681535
  H     -4.92785043      2.44478920     17.30353904
  O      2.31727834      3.72992372     18.25079836
  H      1.23798555      2.41036995     21.33163527
  H     -6.21578691      2.08530712     18.08147791
  O     -3.03417371      1.14601098     19.34234521
  H      0.08318213      2.76004100     20.36844586
  H     -3.43355990     -1.36870291     17.92173127
  O     -0.08184164     -0.91348198     14.55508153
  H     -1.44373021      4.94508292     17.67347846
  H     -3.09370827     -2.37413988     19.04828076
  O     -2.81583678      2.80800689     13.98689246
  H     -2.32310857      6.11146499     18.18176233
  H      1.77389376      1.27468348     13.63725030
  O     -1.57124016      3.33424505     20.25624510
  H     -3.84049097     -0.36510426     16.08337690
  H      0.88897791      2.16807047     14.53748539
  O     -5.34290251      1.76738833     17.86832040
  H     -4.94863543      0.08205174     17.05090355
  H     -3.46639156      4.19747591     16.91864016
  O     -2.78270628     -1.58347021     18.61462045
  H     -0.07546458      4.01539254     15.15457023
  H     -3.67125933      3.50118439     15.53685053
  O      1.49978547      1.42013045     14.55565584
  H     -1.11356627      3.39221154     14.17983206
  H     -1.75655652      1.59027909     18.08097941
  O     -4.05965423      3.63196795     16.41105379
  H     -1.09583101      2.60711010     11.35773603
  H     -0.32443142      1.13439120     17.68690250
  O     -1.08264407      1.65561396     17.39141437
  H     -1.49840510      1.14380482     11.59881226
  H     -1.97712858      0.88061576     16.04867668
  O     -2.39972438      0.44020208     15.29563245
  H     -1.11520958     -1.72924640     17.64181837
  H     -1.71184957     -0.11547425     14.91120121
          69
 Energy    -249.87824656158057     
  O     11.89971007     10.59834105    -15.33507449
  H     12.51359838     11.32878208    -15.47283352
  H     14.21039098      5.44550707    -15.38563591
  O     15.45454351      6.32058480    -12.64332811
  H     12.31644546      9.82760105    -15.74600135
  H     15.98946498     10.48954528    -17.15116962
  O     17.48685975     11.52376477    -12.73474197
  H     16.37042582      6.49346263    -12.39311474
  H     16.97236227     11.23763003    -16.21387554
  O     18.54373996     10.93545955    -15.13562914
  H     14.88129133      6.66205400    -11.94299543
  H     15.15094285      7.88815048    -13.62424038
  O     12.36251949      5.90098009    -15.34694160
  H     17.59151928     11.37769623    -11.78849025
  H     16.17064334      8.66498194    -14.46450174
  O     14.90399992     10.55236547     -9.14461224
  H     16.53152071     11.51952971    -12.89033605
  H     11.23975802     10.10796267    -13.81739605
  O     13.72121248      7.53019568    -10.86900610
  H     19.30871593     11.47590818    -15.31234610
  H      9.98921266     10.04432308    -12.90920346
  O     14.78086097     11.22325555    -13.26122722
  H     18.22094716     11.18202351    -14.24840732
  H     17.67739926      9.18780737     -9.89932872
  O     17.04844819      6.58561353    -16.77839407
  H     11.62427242      5.34585076    -15.58221784
  H     17.84948284      7.85907665    -10.67407005
  O     15.25911943      7.75714448     -8.54291149
  H     12.16313971      6.27385075    -14.46887308
  H     11.45127893      7.96252226    -12.98747605
  O     17.98513509      8.24868200    -14.75085552
  H     14.20401486     10.55517829     -9.81107861
  H     12.40680230      7.06214013    -12.18329503
  O     15.16225081      5.37038110    -15.24940593
  H     14.93173389      9.65293802     -8.79631685
  H     18.89416614      6.38316093    -12.37317887
  O     16.13548133     11.32404359    -16.68105569
  H     14.15111932      7.49228425    -10.00567347
  H     18.16952966      7.49685749    -13.15998547
  O     15.25009605      8.67438956    -14.17492576
  H     13.55226612      8.46762175    -11.04287185
  H     16.52916720     10.96457434     -9.66587374
  O     10.90245780      9.77659632    -12.96518278
  H     14.91525485     10.32604994    -13.60613805
  H     17.86004013     11.65711769     -9.30040888
  O     17.59854737      8.22851112     -9.81940926
  H     14.46545905     11.76363359    -13.99570470
  H     14.72560697      8.69356945    -17.43133728
  O     11.83649662      7.07761222    -12.96090281
  H     17.42481224      5.93446470    -17.36436395
  H     16.12469372      8.08096813    -17.57173559
  O     18.18428943      7.01852855    -12.31398010
  H     16.35849312      6.13068472    -16.26178568
  H     12.28386951     10.14373688    -11.75571962
  O     17.46147304     11.06216456     -9.93063783
  H     15.40787140      7.29888025     -7.72074540
  H     13.72391068     10.66335453    -11.94804017
  O     15.60290014      8.85644986    -17.80528894
  H     16.12836722      7.85797119     -8.97278047
  H     14.74877741     12.11265199    -16.04905912
  O     13.13387309     10.23590511    -11.30880827
  H     17.78760587      7.72556989    -15.53960974
  H     13.94477180     13.42699862    -15.90798885
  O     13.98373732     12.52430013    -15.60531649
  H     18.27358533      9.13449903    -15.00729919
  H     14.01352099      8.50130126    -15.51177783
  O     13.34851149      8.39119524    -16.20887601
  H     15.29640660      5.55993261    -14.31025784
  H     12.94042511      7.53085099    -16.05636802
          69
 Energy    -249.87780265444741     
  O     17.14730436      5.11569839     -9.76842148
  H     17.37198627      5.06245427    -10.70677969
  H     11.28472550      6.05578478    -15.26411200
  O     14.30508013      8.61903593    -12.28518158
  H     16.42332870      4.49971834     -9.61060377
  H     13.69905569      5.87717126    -10.73475437
  O     16.11821467      8.74130398    -16.39016992
  H     14.15208123      7.68398751    -12.06780268
  H     14.29850622      5.32589885    -12.08239370
  O     17.37876498      7.76226490     -9.25959479
  H     13.83730590      9.12416498    -11.60990684
  H     12.77744414      2.80941746    -11.84152844
  O     13.34898744      5.71354728     -8.96196976
  H     16.27810207      9.46538941    -16.98936770
  H     14.28331451      2.97548294    -12.10887883
  O     14.91052419      3.37676389     -9.19791944
  H     16.83559108      8.75783143    -15.73101198
  H     12.26307208      8.88008961     -9.96534561
  O     13.84729108      7.91952080    -14.94540332
  H     18.12409540      7.92226296     -8.68667712
  H     12.47197974     10.40030366     -9.77989660
  O     16.69815219      5.93762253    -16.63396400
  H     17.30626961      6.79549518     -9.36381438
  H     10.98375235      7.03915993    -10.64407292
  O     18.11478028      8.55466488    -14.56465043
  H     13.86061902      4.90546477     -8.84467159
  H     11.83200983      6.77771401     -9.38499651
  O     18.87083263      5.80631611    -15.01182211
  H     13.87862658      6.46179891     -8.64008572
  H     17.21093705      8.19471212    -11.06021907
  O     17.59465751      5.51644554    -12.53558072
  H     15.04749720      2.62650577     -8.62494001
  H     16.09760242      8.44546554    -12.11514137
  O     11.17192228      6.94890234    -14.91954826
  H     14.43359972      3.04608524     -9.97929211
  H     14.20426044      8.67664844     -8.92007414
  O     13.78351671      6.03679704    -11.68488866
  H     14.55594006      8.28259832    -15.49172467
  H     15.60548018      8.05007489     -8.68542862
  O     13.64511043      2.59972983    -11.48256140
  H     13.97884299      8.26283771    -14.05076887
  H     10.99525915      6.51070193    -13.17186498
  O     12.91259246      9.60080465    -10.05490516
  H     15.88235433      5.53432108    -16.30882749
  H     12.05315703      6.11056986    -12.10725117
  O     11.26837919      7.43782321     -9.81194225
  H     16.50161910      6.87855501    -16.72262115
  H     16.14522850      4.53080061    -12.90203233
  O     17.03188566      8.21774477    -12.00840626
  H     18.53092512      7.69527770    -14.70221509
  H     14.98302257      4.43068964    -13.93258692
  O     14.68456041      8.02235462     -8.39898767
  H     17.81605426      8.56110936    -13.64471535
  H     11.02469635      4.35766891    -12.49715319
  O     11.10225418      6.10414861    -12.30013599
  H     19.61401864      5.42388362    -15.46999350
  H     10.33279213      2.98103114    -12.38063995
  O     15.28692902      4.11875880    -13.06898940
  H     18.11557828      5.77777597    -15.62676650
  H     11.50707860      3.77858721    -14.50644798
  O     11.10621529      3.41638069    -12.73171349
  H     17.36226086      6.44226248    -12.37369218
  H     11.27836681      3.49124646    -16.00554510
  O     11.70475969      4.09481962    -15.40134760
  H     18.13323557      5.50938491    -13.33652728
  H     13.43236560      4.76989840    -15.50129825
  O     14.28961296      5.19939474    -15.39784738
  H     12.02523016      7.39034711    -15.02980693
  H     14.12000311      6.13208558    -15.19736114
          69
 Energy    -249.87766958855460     
  O     16.15476494      4.95056981    -16.36064534
  H     16.32858142      5.90018622    -16.36843341
  H     17.49234961     11.85065463    -13.95132660
  O     17.76455056      6.08193628     -9.60412214
  H     15.19348974      4.86193534    -16.33413381
  H     16.35419281     10.97332040    -17.46436439
  O     19.74481581      9.64725599    -13.51692030
  H     17.81060797      5.74690358    -10.50838570
  H     16.80538286     10.83860522    -15.98990247
  O     17.00025834      3.33744166    -14.34149382
  H     17.78926377      7.04707874     -9.66278476
  H     16.74576879      8.20528636    -12.87957623
  O     13.05315712      9.47014684    -10.60688406
  H     20.69527503      9.71292966    -13.55242662
  H     15.29512957      8.00861489    -12.32750463
  O     15.28721177      5.67930862     -8.58427308
  H     19.46927239     10.01456822    -12.65662096
  H     13.58430758      4.31804387    -14.98360690
  O     13.59412289      7.28993472    -12.32260431
  H     16.78232370      3.91445682    -15.09571996
  H     12.65217531      4.26467809    -16.21752308
  O     18.80065717     10.74519193    -11.24170836
  H     17.51558499      2.61411338    -14.68799218
  H     14.86121303      5.18166497    -10.31662225
  O     14.89032817      8.54916184     -8.53323850
  H     13.52838769     10.05492288    -11.21977732
  H     15.71048999      5.16860502    -11.61650184
  O     16.28304727      7.75304029    -15.97782625
  H     12.23685333      9.91256587    -10.38562000
  H     15.92565092     11.99749025    -12.32965555
  O     17.41265776      5.24665653    -12.31514540
  H     16.21507896      5.78662983     -8.86556977
  H     16.55039050     13.38408743    -12.05552059
  O     17.83783199     11.39098790    -14.72565595
  H     15.30187867      5.16778423     -7.77967259
  H     16.56843786      8.88212099     -9.21733029
  O     16.20634993     10.47368424    -16.66611358
  H     13.89663029      6.48153845    -11.88393913
  H     16.91250615      8.74808657    -10.70643690
  O     16.08308756      8.56427743    -12.27743807
  H     13.27019845      7.91070792    -11.65928214
  H     15.20973467     10.07861603    -12.42889180
  O     13.34646268      4.77549479    -15.81036026
  H     18.38256378     10.14533258    -10.60791769
  H     14.21835821     10.75896853    -13.40146864
  O     14.80785677      5.08019975    -11.27490081
  H     18.13197367     11.39747769    -11.48162187
  H     13.43896882      6.59552925    -15.40133861
  O     16.76339030     12.48846811    -12.30566789
  H     14.22758852      8.83056305     -9.17423599
  H     13.57230336      7.40575926    -14.09165271
  O     17.31497428      8.86616576     -9.83208966
  H     14.87627343      7.58386373     -8.52328948
  H     14.28902753      3.96918880    -12.71339248
  O     14.58660066     10.81972378    -12.50687638
  H     16.32642627      8.64692861    -16.33823541
  H     15.16321847      3.30559978    -13.79049476
  O     13.66433557      7.46719605    -15.05432457
  H     15.38789329      7.65262967    -15.62053778
  H     14.55606958     10.45290977    -15.67830114
  O     14.24937350      3.52828798    -13.57141919
  H     17.70094978      6.00834388    -12.83775040
  H     13.60138380      9.37019472    -15.15146393
  O     13.80860762     10.31154824    -15.08439797
  H     17.37013098      4.50600735    -12.93299689
  H     17.52586850      7.56243399    -14.68833348
  O     18.03747769      7.45775110    -13.87267677
  H     18.54631734     10.82079577    -14.40371115
  H     18.69829512      8.16039970    -13.82546292
          69
 Energy    -249.87740799210303     
  O     17.94315104      9.17771309    -10.37925250
  H     17.86028137      8.24546121    -10.14728863
  H     16.86609603     12.38458265     -9.82948142
  O     13.72025300      8.77132981    -10.30643692
  H     17.10426492      9.48054927    -10.75131380
  H     19.83369086     11.06941629     -8.65200619
  O     19.27165576      4.26012244    -12.47268968
  H     14.22334042      8.93014516     -9.48676659
  H     18.66695018     10.11914218     -9.02982999
  O     21.45046398      7.99722411    -12.13355419
  H     12.80600003      8.95128096    -10.10370723
  H     18.96358186      9.59946374    -11.73670445
  O     15.22107700      9.33189738     -8.15222816
  H     19.07807752      3.33829399    -12.62298872
  H     19.54928762     10.81586505    -12.48411741
  O     22.82696412      9.31060196    -10.06757130
  H     18.41865608      4.72536422    -12.45052081
  H     20.91429006      6.83697338    -13.58158212
  O     16.88367714      7.18891370     -7.28967087
  H     20.79244355      8.67559235    -12.34231906
  H     20.12575082      5.51792845    -13.71006788
  O     21.65578285      7.50061595     -8.44799571
  H     22.06374598      8.41748450    -11.51726428
  H     14.92590081      9.80324607    -11.24842616
  O     19.52339837      8.30731587     -6.86893166
  H     15.66503112     10.18263178     -8.05552548
  H     15.65643688      9.84267919    -12.61363528
  O     17.83617047      6.46546455     -9.75319112
  H     15.80318017      8.65914049     -7.77799591
  H     16.49332868      8.52018090    -14.26995201
  O     16.62789099     11.83035000     -7.98030183
  H     22.43401654      8.69739401     -9.41855140
  H     15.33575015      9.12659122    -15.09552031
  O     17.03628336     12.46964169    -10.77461885
  H     23.75329273      9.37799931     -9.85096451
  H     20.76477138     11.95659848    -10.45050320
  O     19.03022264     10.65427206     -8.30771738
  H     16.58086868      6.43823266     -6.78390296
  H     21.76000838     10.90065772     -9.88501163
  O     19.43451340      9.86089545    -12.54431430
  H     17.18910851      6.84335537     -8.14572068
  H     14.20711953      7.44782980    -11.61361492
  O     20.35850896      6.32463668    -14.18450464
  H     20.95493839      7.74088844     -7.82452714
  H     14.71765852      7.56151013    -13.06187611
  O     15.67841809     10.19128812    -11.71416411
  H     21.29750603      6.80252575     -9.00801234
  H     18.87775517      7.35577220    -14.28760534
  O     15.58677068      8.86774201    -14.21258300
  H     19.40182132      9.19254093     -7.24006888
  H     18.55605329      8.69683937    -13.59131055
  O     21.19038077     11.64187400     -9.64412553
  H     18.64627602      7.91071494     -6.86553828
  H     18.66141779     12.57218180    -11.44431912
  O     14.52357153      6.92588245    -12.36110844
  H     17.43447030      6.22181540    -10.59750880
  H     19.67102895     13.40467893    -12.26636350
  O     18.14809140      7.94152141    -14.03929954
  H     18.78482141      6.29971122     -9.85334878
  H     17.46513917      6.62640202    -12.89470717
  O     19.54737876     12.55653964    -11.84865518
  H     17.53240337     11.46834188     -7.98845394
  H     16.11273035      6.11421729    -12.33940750
  O     17.06265275      5.92719682    -12.36164612
  H     16.58222722     12.43720208     -7.24577673
  H     20.78264703      6.65994778    -11.06836101
  O     20.44176313      5.94864486    -10.50558334
  H     16.49568564     11.78662377    -11.19380885
  H     20.18140084      5.23488757    -11.09969087
          69
 Ord_Energy   -249.876404    
 O  -0.670321941       1.32038403       7.18870068    
 H  -0.874677002      0.753023148       7.92691517    
 H   0.170445487       1.00242412       6.81229353    
 O    2.17915249       3.12556195       2.94435787    
 H    1.35401273       3.61084747       2.78474641    
 H    2.73778439       3.31366873       2.18196964    
 O   0.743551672      0.785458148       3.24346828    
 H    1.31686246       1.55492592       3.11136961    
 H   0.430102170      0.538048089       2.36577654    
 O    2.65100718       3.36245441       5.64963007    
 H    2.52838159       3.29845405       4.69004488    
 H    1.79420078       3.58974743       6.04106903    
 O   -1.99867582       7.09288931       3.92967749    
 H   -1.25230753       7.55570078       4.32985258    
 H   -1.98672152       6.20246363       4.30528688    
 O   -2.54447365       1.63519943       1.80840361    
 H   -2.44959044       1.65824986       2.76829338    
 H   -2.61308861       2.55112672       1.50527072    
 O    3.21176076       3.92285681      0.463215411    
 H    3.97026134       3.76065254      -9.04142633E-02
 H    2.45750880       3.45980191       5.25070988E-02
 O  -0.370970070      0.519401133      0.653785944    
 H  -0.611208618     -0.278099865      0.189121321    
 H   -1.19521379      0.890262485       1.01841545    
 O    1.25901282       6.60727787       7.07443428    
 H   0.844349921       5.73852444       7.15879154    
 H    2.16176462       6.43948174       6.77625275    
 O    2.40877438       7.18244314       3.61557674    
 H    2.93046093       6.75345325       4.30297565    
 H    1.67208707       7.60983419       4.06952333    
 O   -2.33404851       4.22800016      0.770463288    
 H   -2.57531142       5.14418888      0.962421775    
 H   -1.96744394       4.21604443     -0.123835050    
 O   -2.62601805       6.97992802       1.30518973    
 H   -3.37921000       7.54947042       1.17192674    
 H   -2.38734317       7.05508804       2.24636364    
 O    3.73261189       5.88006067       5.82638693    
 H    4.63632727       5.88850927       6.13105488    
 H    3.46076894       4.94799709       5.78369474    
 O    1.79349244       6.31818819       1.11524582    
 H    2.39029598       5.60366726      0.862848103    
 H    2.09508514       6.67871618       1.96453094    
 O  -0.399722070       6.83044910     -0.507013857    
 H   0.420003772       6.79570675       6.70986017E-03
 H   -1.11174667       7.01766682      0.117050238    
 O   -1.44230747       4.45114660       4.64730310    
 H  -0.886920094       4.61271286       3.86835456    
 H   -1.67086864       3.51325321       4.60892916    
 O   0.261031032       8.27055931       5.17408895    
 H   0.549635649       7.70122910       5.90941191    
 H   0.278411776       9.16643620       5.50182486    
 O   -1.62725866       1.66836584       4.51514387    
 H  -0.816296995       1.37164629       4.07615662    
 H   -1.50103176       1.47787738       5.45211840    
 O   -2.50851195E-02   4.59909773       2.32893491    
 H   0.510327220       5.28584909       1.91024137    
 H  -0.757846475       4.39105844       1.73712301    
 O  -0.914670885       4.44146204      -1.64594066    
 H   -1.16898882       4.53796101      -2.55950546    
 H  -0.687139094       5.33193970      -1.31964064    
 O    1.04820657       2.68469691     -0.574813366    
 H   0.380183160       3.24120665     -0.993808925    
 H   0.583075523       1.93914020     -0.176943526    
 O    1.64775145      0.667428613       5.92622042    
 H    2.18608880       1.46853566       5.91677761    
 H    1.40224791      0.504682124       5.00534534    
 O   0.184729531       4.01421881       6.81878471    
 H  -0.138480619       3.16255164       7.13381338    
 H  -0.397210270       4.26718807       6.08565378    
          69
 Energy    -249.87633994588109     
  O      0.36126891     13.30832318      1.37802761
  H      0.35530572     13.07263739      0.43598319
  H      0.88129464      9.21238253      4.75999210
  O      2.43472241     14.36769308     -2.11079862
  H      0.31431627     14.27040528      1.42246570
  H     -2.25050533     11.29662080      1.18142316
  O     -1.78385279     11.98392754     -2.78236566
  H      3.16465198     13.81305730     -2.42172732
  H     -2.89111740     10.76951164     -0.11163625
  O     -3.11311119     13.71578209     -1.01949507
  H      1.76575237     13.76390295     -1.75660774
  H      2.65495527      8.21644266      1.65016545
  O      4.06834449     11.06894663     -0.34842655
  H     -2.35182524     12.60988383     -2.31410405
  H      1.17307958      8.16138635      1.18676037
  O      3.59886244     10.86136940      3.29541446
  H     -1.98913714     11.10460100     -2.43905939
  H      1.52787538     11.59862275     -4.45015121
  O      4.42666001      8.99720215      1.51758101
  H     -4.01331968     14.03031261     -0.98747843
  H      2.39398967     10.51498134     -5.13106231
  O     -0.64060151     10.87791335      2.04953498
  H     -3.05040026     12.98846768     -0.37470847
  H      0.63581497      9.39452958     -0.60525061
  O      0.51892224     12.52139766     -1.22662369
  H      4.32419807     10.31781460      0.20126567
  H     -0.21760379      9.72502538      0.67468057
  O      0.18525375     12.70607658     -4.63059648
  H      3.78195950     11.76900995      0.25650309
  H     -2.77538871      8.71951823     -1.73181993
  O      3.13699204     12.96470443      1.48339470
  H      3.48957864     11.68015702      2.79207042
  H     -1.53021548      9.25936187     -0.99240289
  O      1.05186779      9.66648982      3.93891950
  H      2.72516064     10.60775622      3.61570669
  H      0.72815012     16.17029077     -4.18158880
  O     -2.93450715     11.49088786      0.52744833
  H      5.21241979      8.53990290      1.80547261
  H      1.26341726     15.13704912     -3.16259487
  O      1.76200644      7.97826895      1.92893166
  H      4.20494787      9.64329200      2.21412738
  H      2.26698163     15.82665166      0.67372341
  O      2.24287648     10.95538622     -4.29890072
  H     -0.16144930     10.50497776      2.79882675
  H      2.99420999     15.21558169     -0.52822065
  O     -0.05811170      9.06269852     -0.01485784
  H     -0.29655998     11.77424251      1.91270389
  H     -0.62943683     15.59120878     -2.09912887
  O     -2.32737188      9.52368278     -1.48240260
  H     -0.27376172     12.43075617     -1.76773591
  H     -1.74219920     15.02191290     -1.17637796
  O      0.47652307     15.40506762     -3.67018350
  H      1.01156635     11.69695874     -1.33235758
  H      2.67049453     10.39809083     -1.21166737
  O      3.12683392     15.49557789      0.38793594
  H      0.27323366     13.64444457     -4.42626437
  H      1.97608467     10.28319594     -2.60650859
  O     -1.03638091     15.67762556     -1.22932517
  H     -0.58763121     12.40514513     -4.13324181
  H      4.36872265     11.95398858     -2.02917726
  O      1.85293118     10.13453142     -1.65999498
  H      2.17259087     12.97110914      1.54124724
  H      3.67913354     11.91463282     -3.41303549
  O      4.24970550     12.45139258     -2.84911328
  H      3.36303296     13.85643556      1.18376191
  H     -0.13155342     16.01036044      0.22265234
  O      0.36744649     16.09293006      1.05516917
  H      1.29835399      8.98601400      3.28602942
  H      0.01897216     16.85493230      1.50984214
          69
 Energy    -249.87532972364539     
  O     18.31285020      9.79168554    -14.26145031
  H     18.42178205      8.86779857    -14.51301460
  H     14.44563600      4.50430630    -15.37221581
  O     14.56568882      5.10359416    -17.13722274
  H     17.98323823      9.77951303    -13.35070837
  H     15.76140233      8.97287873    -13.16410472
  O     12.57095277      8.22885278    -13.04028828
  H     15.30196236      5.74023527    -17.08750675
  H     15.26124291      8.79392864    -14.64454451
  O     12.98857062      7.27916423    -10.51624409
  H     14.69847580      4.58966686    -17.92907547
  H     19.24575989      6.43765574    -14.68304677
  O     12.33577681      6.79485656    -16.55634619
  H     13.50078508      8.33980860    -13.29671442
  H     17.78605401      6.55059706    -14.19197576
  O     16.65873642     11.61069428    -15.39845417
  H     12.27070969      7.40565252    -13.44717857
  H     12.24571544      9.87688038    -13.87146880
  O     16.53207723      6.93514415    -16.92085649
  H     13.32411236      7.99004283     -9.95880456
  H     12.34325252     10.34356505    -15.32888823
  O     14.24089918      9.43116850     -9.16745755
  H     12.80420932      7.67944162    -11.38097703
  H     13.77943756     11.53197374    -13.78133309
  O     15.31845142      9.37730905    -16.38470505
  H     13.06177650      6.22354975    -16.83617838
  H     15.26763333     11.86881499    -14.07785678
  O     11.52429029      5.02399490    -11.23342399
  H     12.00641432      6.41677904    -15.73190914
  H     11.60746447      5.38652606    -13.12047336
  O     13.90963552      3.45150966    -11.75125127
  H     17.14924788     12.32847846    -15.78965906
  H     12.77701608      5.23628893    -14.11862991
  O     14.38131199      4.42695528    -14.41225638
  H     17.31377026     10.99482363    -15.02142052
  H     12.08925794      9.67810139    -17.77742243
  O     15.18796888      8.45442630    -13.74371234
  H     16.14458849      7.81781979    -16.83563702
  H     12.45664269      8.49931130    -16.84623775
  O     18.44418946      6.94440722    -14.78945290
  H     17.26493193      6.90548921    -16.29594220
  H     15.32094918     12.40491710    -10.45694410
  O     12.34450498     10.66647503    -14.42044010
  H     14.01487452      9.81033535     -8.32091726
  H     14.81353964     11.69750340    -11.73184418
  O     14.58815634     11.90266149    -13.39695206
  H     14.45823642     10.17356140     -9.75344021
  H     15.89379936      6.87974868    -13.48185053
  O     11.92800722      5.68335656    -13.97989943
  H     14.39983066      9.50792130    -16.65358200
  H     16.12125533      5.86088485    -12.33896003
  O     12.59603878      9.45104478    -17.00252287
  H     15.71537877     10.23785039    -16.19996472
  H     16.95525331      8.99312626    -11.18118913
  O     15.06182457     11.55307511    -10.79917818
  H     11.97942428      5.79840396    -10.86403070
  H     16.40365626     10.40029907    -11.51567736
  O     16.34572364      6.04965841    -13.25915984
  H     10.78136101      4.84587448    -10.66185569
  H     16.32909218      7.01537083    -10.00892538
  O     16.91118200      9.66560962    -11.87725497
  H     13.03618611      3.81758441    -11.56585717
  H     15.87848631      8.36443690     -9.41932010
  O     16.64010783      7.90419727     -9.79160641
  H     14.04868063      3.56964252    -12.69990333
  H     14.93130958      4.74927065    -10.95565707
  O     15.28905388      5.61813617    -10.72376434
  H     15.11739444      4.94164423    -14.05213415
  H     14.52359982      6.20555826    -10.65893651
          69
 Energy    -249.87506459217713     
  O     11.57790144      8.91182198    -14.44684684
  H     11.95054616      9.56381280    -15.04958886
  H     16.58559233      5.82763727    -12.20250905
  O     16.64388933      7.56533705    -11.97198475
  H     11.93744891      8.05273951    -14.70998888
  H     19.59065954      7.31693300    -15.90568100
  O     16.83277081     11.59305785    -14.20204766
  H     17.26985495      8.18576131    -12.37000433
  H     18.28870169      6.71595604    -15.32094535
  O     16.24923673      8.36421514    -16.47472292
  H     16.17561263      8.02023977    -11.25771141
  H     16.06149124     11.39870723    -16.00236048
  O     13.63451113      5.18427182    -12.71576660
  H     17.13026108     12.25845102    -13.56929745
  H     15.78725865     10.13947386    -16.83185824
  O     15.63648445     12.50531353    -10.15510502
  H     15.91795189     11.39044700    -13.95223372
  H     14.21743720      7.69999135    -14.24908040
  O     15.22838707      8.89804100    -10.02604096
  H     17.17816392      8.18257111    -16.28710135
  H     15.45306676      7.94952815    -13.31999940
  O     14.23880753     10.90527180    -13.59137279
  H     15.80462330      8.40986181    -15.61195689
  H     11.42089374      9.09474899    -12.69918923
  O     15.00917825      5.92067662    -16.87028064
  H     14.56286276      4.94901463    -12.61868201
  H     10.41807584      9.09539819    -11.52641199
  O     17.23182917     10.48047528     -8.87746376
  H     13.42911114      5.78920340    -11.98586547
  H     18.50945573     11.74017780    -11.38290322
  O     17.25502696      5.33269372    -15.12230341
  H     16.11883297     11.89180892     -9.58691636
  H     18.78007068     10.28565008    -11.80591801
  O     16.49013293      4.89057255    -12.44817032
  H     14.79667127     12.07403425    -10.35769975
  H     13.84053718      7.60276351    -10.37853981
  O     18.76620843      7.54955007    -15.48707055
  H     14.62499068      9.58367466    -10.34689802
  H     12.48243645      7.75576698    -11.08745429
  O     15.50716903     11.05734608    -16.71507709
  H     15.90348722      9.35152654     -9.50614874
  H     17.78520984     10.08587811    -13.73161105
  O     14.93757167      8.31222121    -14.04999142
  H     13.65762431     11.13906596    -14.32453463
  H     18.54804710      8.77161650    -14.08339743
  O     11.34787247      9.15681288    -11.73070262
  H     14.43589253      9.96078984    -13.70313231
  H     17.70576763     14.16164485    -11.89917004
  O     18.80992123     10.88510443    -11.04942348
  H     14.93597177      5.63815119    -17.77888664
  H     16.77492434     13.04236956    -11.37767218
  O     13.12875860      7.10218167    -10.79334383
  H     15.41906287      6.80171359    -16.88324532
  H     12.65181257     10.37272474    -11.06573476
  O     18.27211862      9.33894075    -13.35358904
  H     17.85791372     10.56935634     -9.61860491
  H     13.77965917     10.98123279    -11.90228675
  O     17.48911532     13.23984090    -12.01019574
  H     17.74780074     10.49360205     -8.07618108
  H     13.76663181     11.05456943    -16.35156880
  O     13.48099378     10.85939225    -10.98681457
  H     16.45516549      5.35468512    -15.65959370
  H     12.36867532     11.68694973    -16.52405719
  O     12.85570031     11.04960178    -16.00803866
  H     16.98604278      5.07420431    -14.23135144
  H     13.54228689      6.22036197    -15.66420555
  O     12.98170591      6.54307708    -14.95010409
  H     16.88009521      4.37935839    -11.74355830
  H     13.11753150      5.95804465    -14.18523828
          69
 Energy    -249.87475503864013     
  O     11.72486052     10.83070958    -15.40121536
  H     11.31379300     10.35448421    -14.66996136
  H     15.68007334      6.48057405    -15.77739684
  O     15.46572450      6.59858089    -14.00508236
  H     12.23037341     11.56077209    -15.02311410
  H     19.23299578      7.33372861    -14.29972273
  O     16.40589023      9.71475421    -11.15857263
  H     16.15773862      6.74825308    -13.34785792
  H     20.41944224      7.25367778    -13.31441297
  O     17.26932979     10.65450965    -15.11130185
  H     14.65207796      6.45264334    -13.50333712
  H     16.20683710     11.98085526    -15.84621183
  O     12.96837965      6.57136602    -16.97092828
  H     15.88291305      9.36908866    -10.42044670
  H     15.36270726     11.94909767    -17.12469162
  O     14.58011595      8.48146117     -9.47687534
  H     15.79412392     10.26299831    -11.66796936
  H     14.39138305      9.27342767    -15.48740853
  O     13.31316960      6.42001884    -12.28697701
  H     17.83456131     10.61837811    -14.32864907
  H     15.09641558      8.31130267    -14.47581069
  O     14.35120107     10.91136802    -12.64476990
  H     16.46189639     10.16058175    -14.90172652
  H      9.61046162      9.04557411    -13.32514417
  O     17.21634481      8.97535419    -17.28645148
  H     13.93849783      6.49854423    -16.95398753
  H     10.85833921      8.29966806    -13.85459493
  O     15.29501375      5.80717664    -10.35895661
  H     12.65869543      5.95652646    -17.63140056
  H     12.04496390      6.68440386    -15.29256296
  O     18.66125965      6.99047071    -15.94070517
  H     13.79244240      8.67587875    -10.00182465
  H     12.12670340      6.49257438    -13.75405920
  O     15.69235670      6.56048305    -16.74418051
  H     14.74707741      7.53916890     -9.59378017
  H     19.05480987      9.35186764    -12.94344752
  O     19.50126706      7.50405141    -13.38071064
  H     13.09784795      7.32572521    -12.01641140
  H     18.02516840     10.14453456    -12.10364500
  O     15.46112984     12.41312620    -16.28648968
  H     13.85971884      6.05062418    -11.58284549
  H     18.04348436      7.18352857    -12.31094744
  O     14.92804483      9.23716569    -14.68662528
  H     14.06488870     11.72232581    -13.07833520
  H     16.92316315      8.05486946    -11.66620964
  O     10.55562187      9.12214220    -13.42835308
  H     14.51426231     10.28228419    -13.36707418
  H     14.88904448     10.77115935    -19.40416929
  O     11.56901209      6.83028677    -14.46747895
  H     17.36350639      9.58264217    -16.54441962
  H     14.48766764     10.14285030    -18.04848366
  O     18.69239343     10.23348460    -12.79665795
  H     16.64827150      9.46322129    -17.89326294
  H     11.83075479      9.10701923    -12.04396071
  O     17.17532059      7.14592982    -11.89058454
  H     16.03868726      6.19109759    -10.85315938
  H     13.21934539      9.74086893    -11.84241119
  O     15.21401548     10.57896036    -18.52842602
  H     15.64778954      5.08072800     -9.85133243
  H     13.33116510     13.82428212    -14.41946865
  O     12.64343384      9.02817158    -11.52930628
  H     18.35687656      7.73368757    -16.48131509
  H     14.18966489     12.75820740    -15.13642089
  O     13.49334003     12.88591668    -14.46706998
  H     18.05163581      6.28241887    -16.15523943
  H     12.66010553      9.87072233    -16.51005693
  O     13.31959011      9.36119935    -17.00851049
  H     16.14966753      7.38669658    -16.94764908
  H     13.04087474      8.43985305    -17.05561062
          69
 Energy    -249.87455088567793     
  O     15.77691295      9.76948873    -15.69987999
  H     15.19239728      9.14296756    -16.11705038
  H     15.73394774     12.97510403    -15.68426963
  O     19.29699604     14.85921048    -16.03693535
  H     15.97964532      9.41586228    -14.81390444
  H     17.31932433     10.54859604    -16.32335602
  O     21.50359064      9.08927408    -14.55363948
  H     20.12353880     14.42943079    -16.28522527
  H     17.72431434     11.98235283    -16.76146583
  O     18.99397738     13.39166526    -10.09559221
  H     19.42309113     15.19587324    -15.14047720
  H     17.37535635     10.80160186     -8.26712028
  O     14.97873612     13.21898634    -12.51647595
  H     22.30799187      8.58371394    -14.46434419
  H     18.32936797     10.55767996     -9.45965139
  O     19.69290920      9.72637628    -10.16228927
  H     21.63925223      9.91946093    -14.06262999
  H     20.54004748     12.49786312    -10.40178462
  O     15.79176266     10.73518069    -11.32398609
  H     18.52541204     13.52952398    -10.93218039
  H     22.05658749     12.67913511    -10.64559049
  O     20.84501623     10.92866597    -16.67713251
  H     18.48624974     12.72348680     -9.61873987
  H     17.30182716      8.63822101    -13.08013305
  O     22.14880380     14.13424666    -13.89803629
  H     14.96853321     12.95922967    -13.45598957
  H     16.11722541      9.47596503    -12.55071706
  O     20.63780876     15.66498487    -10.69697248
  H     14.17571657     13.70592670    -12.35471702
  H     22.26338766     13.63903352    -17.38310265
  O     21.56987303     11.49304458    -13.26910977
  H     20.41204644     10.36463356    -10.24388115
  H     21.46685406     12.55048944    -16.62793365
  O     15.13369836     12.48931951    -15.10588657
  H     19.53903698      9.36412167    -11.04509951
  H     20.05227589     15.69638408    -12.44026577
  O     18.07727202     11.11525937    -16.52068525
  H     16.36250144     10.91705618    -10.56887853
  H     18.96897066     14.83283438    -13.10790520
  O     17.61681585     11.13370746     -9.12787002
  H     15.47682347     11.58761940    -11.64595566
  H     22.88004369     14.20724752    -12.22223880
  O     21.36111165     12.01383366    -10.58043298
  H     21.08142987     10.20847054    -16.08240843
  H     23.98064507     14.47641143    -11.17301573
  O     16.38120698      8.86322387    -13.25476644
  H     19.87994230     10.91383019    -16.74786830
  H     19.90743393      8.76455797    -13.42858397
  O     21.76515211     13.47665270    -16.58625513
  H     21.30799142     14.57599723    -13.70032836
  H     18.87959335      9.85862384    -13.10447056
  O     19.74380557     15.38142240    -13.30167097
  H     22.16913132     13.98983727    -14.85260293
  H     19.77464468     11.60057143    -13.75946413
  O     23.07771811     14.18424938    -11.27162840
  H     21.51533367     15.26748382    -10.73198179
  H     18.59284170     11.43140604    -14.76982419
  O     19.17374732      8.97273554    -12.84051181
  H     20.06088461     14.99294487    -10.30948310
  H     16.72711629     14.15916691    -17.66142755
  O     18.81256326     11.55561405    -13.83810155
  H     21.47658633     11.55162460    -12.30779228
  H     17.80911754     14.15621693    -16.55838359
  O     17.02395544     13.68465781    -16.88923015
  H     21.84410558     12.36871713    -13.56760323
  H     16.76102385     13.63865706    -12.49417419
  O     17.72293626     13.68141871    -12.53661182
  H     15.26740272     11.55355072    -15.30104822
  H     18.02817748     12.88138899    -12.99227482
          69
 Energy    -249.87447291622055     
  O     12.72721716      3.12597456    -12.05463180
  H     12.51377279      2.18467474    -12.04447710
  H     16.68558766      6.72079430    -16.92130710
  O     13.33466562      3.79916057    -14.69632936
  H     12.95056845      3.34091468    -12.97274466
  H     13.39411124      9.46305480    -10.53908883
  O     15.25077366      2.90362192    -10.85577308
  H     12.68769323      4.50841079    -14.79353280
  H     13.47333417     11.00959153    -10.51956936
  O     18.22909187      5.35873976    -11.53746997
  H     14.20758912      4.21629293    -14.66360804
  H     14.71916958      7.48594428    -12.64627410
  O     13.51093147      7.72603567    -15.52919215
  H     15.46793990      3.73135304    -10.40611074
  H     13.85871703      6.30415919    -12.13846072
  O     13.93359020      1.04875969    -14.75240307
  H     14.36544648      3.01544376    -11.22841273
  H     11.83035629      5.99651004    -12.73515892
  O     12.61863018      0.32165022    -12.28962806
  H     18.08900780      4.56825621    -12.06997799
  H     12.21465865      4.89389959    -11.72081793
  O     18.23413049      8.05702656    -11.90029926
  H     17.53275194      5.34302922    -10.86521566
  H     16.90454255     -0.09010487    -14.59705230
  O     16.33600146      9.02067747     -9.92682359
  H     14.36844634      7.50296769    -15.90647928
  H     15.61279262      0.72592298    -14.35546853
  O     15.80422064      5.01662077    -14.32963905
  H     13.70591905      8.33210168    -14.79838565
  H     10.80404569      6.21103697    -15.08410534
  O     16.97570284      9.07476016    -14.22573735
  H     13.68480101      1.97241558    -14.88997485
  H     12.27974612      6.66657167    -14.98465339
  O     16.25777153      7.01953233    -16.12289148
  H     13.37863539      0.72966816    -14.03028617
  H     15.53817203      5.89321613    -10.84435977
  O     13.90750801     10.22951685    -10.85341280
  H     12.08620364     -0.41818380    -12.01136985
  H     15.58801581      5.98660791     -9.30187073
  O     14.76752875      6.57634242    -12.32589535
  H     13.51492373      0.17293974    -11.93735345
  H     17.09730507      2.21076746    -13.35369711
  O     12.13371220      5.85179833    -11.82857859
  H     19.11537473      8.36506965    -11.69911400
  H     16.50754427      3.00853022    -12.17570679
  O     16.50938068      0.55388739    -14.01571787
  H     18.26292421      7.08753418    -11.83092186
  H     15.31754329      1.04687252    -11.07185692
  O     11.62219348      6.04330083    -14.62420001
  H     16.93053912      8.72855499    -10.62735108
  H     15.75909647      0.16553389    -12.25449347
  O     15.86938776      5.44711924    -10.04894914
  H     15.63570129      9.54306351    -10.33720726
  H     12.38535342      7.24459704    -10.49771273
  O     17.13681800      3.06680823    -12.91054511
  H     15.48230374      5.58666437    -13.61393334
  H     13.33005603      7.63372767     -9.32708851
  O     15.20553103      0.16911963    -11.46420240
  H     16.34818882      4.32960069    -13.92312223
  H     15.50241355      7.98877095     -8.80389164
  O     12.67416488      7.98049426     -9.94502895
  H     16.87267937      8.39601627    -14.90429326
  H     15.08659669      7.60510588     -7.36130679
  O     14.95322294      7.37805513     -8.27732762
  H     17.46875562      8.67812878    -13.49538440
  H     14.23353880      9.67374855    -12.56809048
  O     14.41122222      9.15378044    -13.35940796
  H     16.16893305      6.24256514    -15.54477785
  H     15.32785925      9.30459670    -13.64150539
          69
 Energy    -249.87354744586645     
  O     17.42163429      7.65319645    -13.95539951
  H     18.01944004      8.08869244    -13.33143913
  H     13.58870992      8.61826972    -15.82358578
  O     12.45225303     10.91853626    -11.26907923
  H     17.52166494      8.06178758    -14.82762120
  H     18.53206242      8.21058895     -7.48864569
  O     17.37897354      9.07459865    -16.29810199
  H     11.68212630     11.29348413    -10.85056863
  H     17.87385477      8.65566627     -8.81264227
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  H     12.13623319     10.17889165    -11.81959503
  H     14.88022415      9.26142294    -11.65726345
  O     16.13156989      5.53728699    -12.77724733
  H     17.68710959      9.97131701    -16.11406009
  H     13.87416136      9.84927484    -10.65239620
  O     18.85500737      8.90667746    -11.95168736
  H     16.48174361      9.17472104    -16.63605535
  H     19.34403163      7.06226808     -9.68835353
  O     18.79306277     11.49431039    -12.99960838
  H     11.72921994      7.87353278    -12.36534176
  H     19.26022412      5.94582402    -10.74683254
  O     17.17935461      9.91659521     -9.89323670
  H     12.05336572      8.68930191    -13.62219228
  H     18.29980530      3.60211987    -11.32658052
  O     12.15666240      6.06427954    -11.86363523
  H     15.58901906      5.94403365    -12.08658935
  H     17.40494284      4.78315690    -11.76083407
  O     14.62465625      9.80031732    -16.92725053
  H     16.60885688      6.24389051    -13.23944094
  H     15.97846698      8.63303981    -13.57809146
  O     13.67939453      5.68795133    -14.28332123
  H     19.31825778      8.16067955    -11.54354469
  H     14.45187934      8.79745233    -13.86134226
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  H     18.24353242      9.23771656    -11.28083586
  H     18.53622881     12.39311668    -15.99332218
  O     18.22782972      7.88852122     -8.33366914
  H     18.25029789     11.90668087    -12.31729675
  H     18.33315163     11.68264683    -14.63379744
  O     14.65234866      9.28457798    -10.71216336
  H     18.97782827     10.59609680    -12.69349280
  H     15.31429097     10.72403962    -14.24905007
  O     19.73793107      6.75155075    -10.51330839
  H     17.23452987     10.85143401    -10.12661967
  H     16.18896195     11.71326323    -15.07148189
  O     18.05935837      4.49736693    -11.10184316
  H     16.26701060      9.65342079    -10.08701295
  H     15.15872089      6.19317156     -9.97362164
  O     15.19688999      9.15843979    -13.36148452
  H     11.62526126      5.42832209    -11.39144542
  H     14.55540196      7.49503194    -10.59022097
  O     17.98072614     11.76603917    -15.53900095
  H     12.98160231      6.16916327    -11.35847586
  H     16.18997178     12.52057387    -11.39059299
  O     15.27805560     11.50963667    -14.81911731
  H     14.31449466     10.23257792    -17.71950622
  H     17.18173094     13.37907020    -10.57361931
  O     14.54814205      6.52971156    -10.64556858
  H     14.75269249     10.49628140    -16.26142839
  H     13.88137009     12.02260615    -11.94605929
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  H     14.54878929      5.48723935    -13.91663147
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  H     13.07482588      5.69428889    -13.52999150
  H     17.09312304      5.16614206     -9.58611505
  O     16.53525391      5.67325596     -8.98247901
  H     13.36405400      7.31705346    -14.95854468
  H     17.08286341      6.40144388     -8.66410922
          69
 Energy    -249.87298900805820     
  O     -1.83485554      4.57767981      2.50097957
  H     -1.84696949      5.50638135      2.71871656
  H     -1.73376381     -2.28441039      2.17310620
  O     -3.42409443      2.33733473      3.12811195
  H     -1.18457655      4.16144440      3.09432394
  H      0.94274801      1.68375542      0.52485504
  O     -0.72096921     -0.51360974      4.72901132
  H     -3.09037261      3.22026282      2.92588535
  H      1.13614378      1.16916639      2.02216766
  O     -0.75007223     -3.08860986      0.90808799
  H     -2.87596504      1.73459489      2.59834047
  H     -3.67150994     -2.10232723      0.07956717
  O      0.17646566      0.18892570     -2.37431915
  H     -1.28863857     -0.98259031      4.09965762
  H     -2.25952656     -2.67878955     -0.16464832
  O     -2.64160027     -0.34733370     -2.49092255
  H     -1.26587974      0.17011953      5.13604728
  H      0.54580112     -1.89144766      4.88495956
  O     -5.25200459      0.99916516      1.36616916
  H     -0.14006968     -2.49756829      0.44057353
  H      2.03805985     -2.01234121      4.52387490
  O     -3.34403679      1.60837185     -0.60536466
  H     -0.20417349     -3.65134109      1.47121145
  H      1.15673427     -5.21614530      3.03250319
  O      1.05170506     -1.36093344     -0.26986454
  H      0.31815422      1.06518082     -1.99820882
  H      1.04862904     -3.73832245      3.47625263
  O     -1.89414063      0.69675075      1.55227935
  H     -0.77862840      0.07282206     -2.45301201
  H      2.36163980     -3.22336390      1.84574955
  O     -4.79419956     -1.67914022      1.59554929
  H     -3.01846361     -0.65078111     -3.31280123
  H      2.39157679     -2.12045429      0.77429742
  O     -2.26233665     -1.76138919      2.79441457
  H     -2.76508056     -1.06624928     -1.84528494
  H     -2.80130725      1.89798031      4.74718479
  O      0.79266938      0.95910806      1.14551589
  H     -4.78679394      1.27358855      0.56301561
  H     -2.86499603      1.86125673      6.29251316
  O     -3.01338789     -2.26672169     -0.60560098
  H     -4.86404214      1.52772729      2.07387862
  H     -0.85676191      2.83138678      4.86467965
  O      1.25243278     -2.53228472      4.73322349
  H     -3.18359560      1.03223871     -1.36245976
  H      0.48536576      2.66029356      4.13967001
  O      1.01804577     -4.33177073      2.70450925
  H     -2.81700890      1.24009728      0.12280237
  H      3.27607798     -1.44044960      2.86500972
  O      2.88934254     -2.48498097      1.51869285
  H      1.00798716     -0.59465709      0.32239679
  H      4.33537938     -0.97499857      3.89065274
  O     -2.29050647      1.69556471      5.54939721
  H      0.82568639     -1.00348504     -1.13869752
  H      0.69178657      0.51294928      4.11356666
  O     -0.22913431      3.29124832      4.29407186
  H     -0.94891903      0.82480697      1.39964858
  H      2.21049766      0.48605653      3.82296153
  O      3.40531531     -0.93126784      3.68551265
  H     -2.01188598     -0.18679104      1.92007241
  H     -1.71442694      4.07881226      0.66308196
  O      1.43544398      1.06218310      3.82255348
  H     -5.00604771     -0.73238790      1.52007635
  H     -2.31630007      3.16471656     -0.43876846
  O     -1.61281166      3.80202029     -0.25514014
  H     -5.62184169     -2.13506934      1.72417525
  H     -0.08898432      3.17029315     -0.76927145
  O      0.75448481      2.73505046     -0.98852937
  H     -3.18501199     -1.82491604      2.51601515
  H      1.29030739      3.38210279     -1.43888328
          69
 Energy    -249.87180349414200     
  O     -3.25522716      1.67488612      1.61067184
  H     -3.55076746      2.56568259      1.78223019
  H     -1.75359837     -4.32293566     -0.18857698
  O     -3.70258652     -3.46913332      6.32248912
  H     -3.52425761      1.14089108      2.37664658
  H     -1.65913619     -2.39579468      1.43883506
  O     -1.28405483     -0.65816176      4.22667968
  H     -4.03959946     -4.23069624      5.83428865
  H     -0.89031620     -1.03853761      1.25873239
  O     -3.87953510     -0.04075469      3.66911914
  H     -2.75751357     -3.42891234      6.12591499
  H     -3.70980676     -3.06481699      1.23951963
  O      1.58271253     -2.86306164      4.79691853
  H     -0.41380992     -0.30321014      4.44388526
  H     -2.76107463     -4.13712755      1.85718028
  O     -4.53895569     -5.48384512      4.47340495
  H     -1.18152907     -1.09836679      3.36592067
  H      1.92926152     -2.94880960      1.37961971
  O     -1.11329968     -3.25000231      5.23480895
  H     -4.44505234     -0.39787783      4.36526155
  H      0.52082374     -2.82384303      1.98165488
  O     -6.24607746     -3.30909429      3.65541643
  H     -2.96451347     -0.21053266      3.94243954
  H     -5.52956215     -2.40279263      2.27105457
  O     -0.80819843      0.68087972      0.53748791
  H      1.63391240     -3.11347554      3.86471164
  H     -4.53583202     -1.22785447      2.35227104
  O      0.18217773     -5.81956468      1.84654274
  H      1.63347720     -1.89936126      4.79553792
  H      3.30427311     -1.85241478     -0.55218825
  O      0.31943962     -2.30223222     -1.39855042
  H     -3.67934391     -5.42641939      4.02410272
  H      1.76093920     -1.96659484     -0.52705085
  O     -0.93612939     -4.64466835     -0.59447295
  H     -4.74747986     -6.41181053      4.54797035
  H      1.57601995      0.12718219      3.48801910
  O     -0.96844250     -1.82964143      1.80593453
  H     -0.14681260     -3.29207340      5.23886199
  H      1.96753829      0.67404942      4.87923071
  O     -2.94023765     -3.62067587      1.05939090
  H     -1.30964154     -2.33933873      4.97529893
  H      0.89027516      0.58568353      1.31728190
  O      1.33408459     -3.35109234      2.02297398
  H     -6.08428172     -2.67396721      4.36402862
  H      2.08987863     -0.36855158      1.18453388
  O     -4.94125860     -1.85114849      1.73552026
  H     -5.74809545     -4.10076296      3.89375029
  H     -2.66253376     -0.43892566     -1.39071187
  O      2.54942078     -1.81702010      0.02825298
  H     -1.05111339      0.42779770     -0.36309159
  H     -1.98136567     -0.12205523     -2.73950612
  O      1.43183253      0.01570229      4.44501358
  H     -1.58219650      1.10364293      0.93068847
  H     -4.71977575     -2.10312982      5.95364960
  O      1.70647763      0.30881148      1.75459575
  H      0.82025004     -6.52307266      1.93438030
  H     -5.83204119     -1.12985112      6.40867503
  O     -1.80354712     -0.41204388     -1.84834784
  H      0.67552470     -4.98348161      1.91496784
  H     -1.71661777     -4.42126043      3.98254842
  O     -5.33004014     -1.40822894      5.64712847
  H     -0.40397126     -1.70799133     -1.62241030
  H     -1.33335849     -5.43249348      2.86041223
  O     -2.07946731     -5.03652884      3.32787045
  H     -0.08522087     -3.15532395     -1.18093267
  H     -3.90467606      0.53302728      0.18939642
  O     -4.08558839     -0.21926007     -0.38719258
  H     -0.52207040     -5.18696215      0.08471751
  H     -4.51679997     -0.86998047      0.18145387
          69
 Energy    -249.87127424811962     
  O      1.51848645     -2.32436087     -7.34168732
  H      1.77669491     -2.63189847     -8.22296780
  H     -2.60096655      2.67066125     -5.54551914
  O     -1.46336168     -0.17068553     -6.33965640
  H      0.78778217     -2.89010505     -7.05972040
  H     -4.84179716     -3.03230026     -4.39304058
  O     -1.74891687      3.84112451     -6.70455596
  H     -0.73940206      0.12718365     -6.90640931
  H     -3.33857653     -2.71473135     -4.54280831
  O     -2.41457553      2.33245171     -8.83435232
  H     -1.96375982      0.59405684     -6.03331156
  H     -1.63942792     -0.24102143    -10.00423921
  O     -0.88044110      1.58086660     -3.07996319
  H     -1.94439007      3.32945271     -7.51046897
  H     -0.28134236      0.29957935     -9.42557559
  O      2.51465101      1.68699467     -6.39120238
  H     -1.95529836      4.75105124     -6.90105393
  H     -4.85386684      0.52218787     -7.67136292
  O      0.72437382      0.23310467     -7.96737164
  H     -1.84850687      1.79596072     -9.40068894
  H     -5.67469984      1.09515519     -8.84706404
  O      0.42409098     -1.51721065    -11.79355030
  H     -3.25370759      1.85962736     -8.76596961
  H     -3.06362366     -1.72904094     -8.89512034
  O     -0.68690357     -3.99378295     -6.85859081
  H     -0.57927718      0.68216946     -3.30020514
  H     -3.82363477     -0.55869529     -9.52701887
  O      1.77995284     -3.24705520     -9.91064139
  H     -0.81234149      1.67058514     -2.13318921
  H      2.57159095     -0.02488200     -5.45909509
  O     -2.84742778     -2.32128748     -7.26166383
  H      1.83683925      2.20326572     -5.91921500
  H      2.25687107     -1.48519390     -5.83359792
  O     -2.88764196      1.90236735     -5.03449390
  H      3.26886584      2.25834409     -6.50599692
  H     -0.59832113     -0.70038523     -4.84071343
  O     -4.22898460     -2.45352531     -4.83905171
  H      1.00333671     -0.67840602     -7.78836400
  H      0.82101062     -0.91917322     -4.25609788
  O     -0.87379066      0.32188926    -10.19379535
  H      1.37002672      0.80951495     -7.54137000
  H     -4.29481247      0.80491987     -5.51923219
  O     -4.80385760      0.78965209     -8.60599838
  H      0.01688987     -0.78554264    -11.30117745
  H     -4.70390814     -0.68563082     -5.51809994
  O     -3.16549661     -1.23496817     -9.72413268
  H      0.72429959     -1.15472756    -12.62322470
  H     -1.00261205     -2.74163969    -11.44374129
  O      2.40570631     -0.89607492     -5.08024213
  H     -0.55254597     -4.51340027     -7.66112609
  H     -2.34468592     -2.63161118    -10.70091552
  O     -0.11613070     -0.86426409     -4.01590572
  H     -1.46350876     -3.44353317     -7.04119234
  H     -1.24450866     -3.64775332     -4.99580800
  O     -4.87063564      0.15882758     -5.95158926
  H      1.42137641     -2.65264619    -10.58046642
  H     -1.07812337     -2.49697692     -3.98338516
  O     -1.70817964     -3.26909775    -11.04834343
  H      1.13299130     -3.95774682     -9.81475854
  H     -0.51060837     -5.94660781     -9.83707037
  O     -1.66670209     -3.21819957     -4.24154765
  H     -3.49152424     -2.51196931     -6.57048771
  H     -0.94980401     -4.47606386    -10.02100767
  O     -0.41145428     -5.07196564     -9.47003053
  H     -2.36218798     -1.53701722     -6.95355246
  H     -0.21883320      3.33763719     -5.71591469
  O      0.49840521      2.99689964     -5.16712060
  H     -2.30962550      1.83999940     -4.26286433
  H      0.08528132      2.58074627     -4.40143647
          69
 Energy    -249.87066089543399     
  O     13.18429817     11.95523993     -8.64849332
  H     13.21890188     12.05453646     -7.70103208
  H     13.40252222     14.68570601    -12.03921185
  O     11.08209740     10.83212816    -15.38209055
  H     13.92968881     12.46726253     -9.01368901
  H     12.85011613     12.87641673    -16.87670941
  O     13.69925795      9.48249426    -10.01434731
  H     11.69642602     10.82523222    -16.12614432
  H     12.01432544     13.78870658    -15.95305195
  O     18.41403824     12.56426130    -13.39679851
  H     11.04443927     11.74529874    -15.06083014
  H     13.91055108     11.18602289    -13.39916441
  O     11.27342039     12.50579924    -10.63161850
  H     13.60718304     10.27815001     -9.47675735
  H     15.14213380     11.84777230    -12.69888890
  O     11.22852736      9.75651237    -11.33807000
  H     12.83157883      9.35130748    -10.41714937
  H     16.55463574     12.72118966    -15.77160404
  O     12.85212683      9.71767623    -13.57876729
  H     19.35975451     12.61523213    -13.50504778
  H     16.73757206     11.21372542    -15.99552276
  O     14.89415439     15.61695937    -11.38008771
  H     18.04539074     12.31988521    -14.26489182
  H     13.15118895     10.80468883    -18.20768882
  O      9.26984008     10.07100817    -13.27049427
  H     11.81083067     12.35083747     -9.84461560
  H     14.00872744     10.60011795    -16.94448567
  O     15.14990812     13.79119265    -15.29191265
  H     11.80987416     13.06554030    -11.21330629
  H     15.20653713      9.06234352    -10.78352630
  O     10.93752656     13.44377377    -14.35409815
  H     10.47495771      9.67349930    -11.94069617
  H     16.48772639      8.20220984    -10.70476470
  O     12.81074318     14.00267530    -12.37333676
  H     11.24865281     10.68575344    -11.07126802
  H     14.38774348      8.85631776    -13.85452877
  O     12.72508219     13.79429495    -16.60574325
  H     12.35246097      9.65647912    -12.75481661
  H     15.70276467      8.63758253    -13.09765271
  O     14.40481609     12.00892010    -13.30169296
  H     12.23127650     10.02684461    -14.25103344
  H     16.00016873      9.10179017    -16.98152445
  O     17.21858170     12.01586488    -15.76561810
  H     15.57302555     15.40731795    -12.04723410
  H     15.52672998      9.33876893    -15.53347148
  O     13.18558604     10.99307105    -17.27169432
  H     14.99945381     16.53924289    -11.16377760
  H     16.53690780     10.65758417    -11.44461582
  O     16.06421176      8.88892916    -11.21310641
  H      9.74420316     10.18602404    -14.10341702
  H     17.28519198     11.85507339    -12.14067269
  O     15.31972696      8.61875199    -13.98048744
  H      9.03110900     10.96208832    -12.98552352
  H      8.32134936     13.22154994    -11.87933203
  O     15.57689035      9.74515695    -16.41751128
  H     14.89305493     13.12824514    -14.63198170
  H      9.75182044     12.70251685    -11.61929589
  O     16.54696164     11.61589112    -11.56477623
  H     14.35864287     13.96778842    -15.81562597
  H     17.35931882     14.23772313    -13.22467484
  O      9.05824825     12.78027217    -12.29502207
  H     10.15321861     13.31992759    -13.80662908
  H     16.15353905     14.69530714    -14.06089026
  O     16.68184875     14.91919516    -13.28019889
  H     11.62229285     13.75119294    -13.74221265
  H     15.13403865     14.12826956    -10.22647437
  O     15.23005336     13.28991542     -9.76037714
  H     13.38081773     13.27656712    -12.67361130
  H     15.76396277     12.72047852    -10.33171816
          69
 Energy    -249.87064037951347     
  O     -3.46130305     -0.69511817      2.73487597
  H     -3.78762459     -0.10131200      2.03894371
  H     -1.68626154      1.99924268     -0.12450865
  O      0.99614409      2.61979611      3.04335737
  H     -3.05963056     -0.12893945      3.40562004
  H     -7.09463900      1.73477431      1.94512715
  O     -1.69495675     -1.81471796      0.99294109
  H      1.56981813      3.31548381      3.35555873
  H     -7.10654787      1.56177784      0.38423910
  O     -4.57032554      1.19297299     -1.95358377
  H      0.09991758      2.99253395      3.01349046
  H      1.29165267      1.47417515      1.52954600
  O     -2.41291762     -0.36457049     -2.77199432
  H     -2.28275939     -1.49352246      1.69311256
  H      1.29908887     -0.04936199      1.30475579
  O     -4.26036685      1.08497511      0.81784452
  H     -2.26727538     -2.18474567      0.30561372
  H     -4.71280844      3.09014635      4.14602334
  O     -7.14531038      0.93181755      3.61861132
  H     -3.89193680      0.66484210     -2.39205538
  H     -4.07766903      1.77764323      4.63965328
  O     -7.14676320      0.42609183     -1.01951753
  H     -4.49178618      1.00228946     -1.00536100
  H     -2.39363817      3.98099827      3.09409745
  O     -2.29935102      1.17099656      4.42240554
  H     -1.80913154     -0.06967615     -2.06870560
  H     -1.74488926      3.24271017      1.90063085
  O     -3.94465763      3.84468255     -1.61252786
  H     -1.86925771     -0.60744687     -3.51700825
  H     -4.34288266      5.55155270      3.68322871
  O     -6.21084351     -2.10816596     -0.12847158
  H     -5.11379476      1.49629794      1.01081094
  H     -4.51180721      4.64546519      2.44103486
  O     -2.10359052      2.79192709      0.24240694
  H     -3.59011282      1.77856386      0.77344059
  H     -6.55733796     -0.74080578      2.90717938
  O     -6.83609343      2.14436191      1.11017382
  H     -7.81437492      0.98255412      4.29605340
  H     -5.17382920     -1.38449431      2.72936102
  O      1.33997405      0.79855911      0.84244938
  H     -6.35146545      1.36997291      3.97606974
  H      0.43560701     -0.51944601      3.71754063
  O     -4.92563105      2.21511951      4.49094110
  H     -6.42299748      0.71551274     -1.58836200
  H      0.63827644      0.97752374      4.00286372
  O     -1.63648511      3.43706204      2.84479134
  H     -6.90590560     -0.46832022     -0.74320429
  H     -0.09592171     -1.80287057      1.76141194
  O     -4.09331223      4.70643210      3.31875514
  H     -2.09739553      1.94300823      3.87703667
  H      1.19280759     -2.50084712      2.24845220
  O     -6.11005181     -1.49885697      2.51356295
  H     -1.44867639      0.73472222      4.57585094
  H     -3.27613952     -1.80421219     -1.70032877
  O      0.26085613      0.16855622      4.37089775
  H     -3.99298285      4.36317721     -2.41143318
  H     -4.40849319     -2.27250307     -0.74827729
  O      0.75976848     -1.65244183      2.19790339
  H     -4.23646609      2.94580477     -1.84121667
  H     -0.06917439      0.60666359     -0.22685538
  O     -3.48359973     -2.41591138     -0.98607334
  H     -6.19106691     -1.91088079      0.82499194
  H     -1.27874635     -0.33254953     -0.02671043
  O     -0.94942740      0.39539787     -0.57282634
  H     -6.72639192     -2.90539062     -0.22733377
  H     -4.86864808      4.33535443      0.03638530
  O     -5.27548396      4.41602951      0.90496418
  H     -2.57807596      3.24738065     -0.46330958
  H     -5.94266597      3.71548701      0.95872177
          69
 Energy    -249.86982820684281     
  O      1.25973879      0.72190512      5.16039495
  H      1.79779805      0.85695263      5.93678487
  H     -5.33447808     -0.50139597      3.15082550
  O      1.07256644     -0.33270416     -2.90221868
  H      0.61305058      0.03040599      5.38972754
  H     -1.52316604      1.65510590      2.31136876
  O     -0.59720423     -1.16915982      5.75900344
  H      0.76562754     -0.24962339     -3.80159492
  H     -0.60145111      2.51383669      1.42914195
  O     -0.88063896      0.07337883     -0.97877064
  H      0.30526699     -0.16816849     -2.32928411
  H     -3.22957061      0.80542199      5.28094149
  O      2.10586909     -2.41697014     -1.21026349
  H     -0.67282899     -2.05888406      5.39865716
  H     -3.92301691     -0.53332808      4.85760424
  O      3.68180596     -0.73725112      0.52959121
  H     -1.49097036     -0.79860145      5.71202665
  H     -2.25178848     -0.09769871      3.55055141
  O     -3.96774240      3.28111158      2.49523110
  H     -0.35825091      0.65828303     -0.41041276
  H     -1.12606334     -0.72390925      2.67239900
  O     -3.42366944     -3.26437792      3.08652383
  H     -1.78622955      0.06654338     -0.64339032
  H      0.46245931     -2.75489584     -0.56776327
  O     -0.55587179      2.94293081      4.73901406
  H      1.86984726     -1.78782874     -1.90436440
  H     -0.63060839     -1.67703450     -0.47726138
  O      2.80203797      1.30697136     -1.29693739
  H      2.69116517     -1.93721670     -0.61129997
  H      1.35827802     -0.77275516      2.48828901
  O     -5.23581866      0.78060922      1.97440631
  H      4.56006533     -0.90087899      0.86534263
  H      1.82128415      0.35805490      3.42952239
  O     -5.30849479     -1.23456657      3.79117558
  H      3.14257081     -0.46157659      1.28861695
  H     -3.63557430      2.88675698      4.39220697
  O     -1.35594629      2.56862922      2.02795404
  H     -4.17929672      4.16740029      2.21221592
  H     -2.32465753      2.77009762      5.19589245
  O     -3.09638813     -0.14982738      5.17017040
  H     -3.03834039      3.12731528      2.25488236
  H      1.50195782      1.74650135     -0.10724099
  O     -1.82301998     -0.05771822      2.68567829
  H     -4.09601837     -2.60768362      3.30524409
  H      1.16361355      1.16989532      1.29107637
  O     -0.43356646     -2.59431419     -0.23769327
  H     -3.36531657     -3.29717736      2.12441981
  H     -1.94291520     -3.52450902      3.94822408
  O      1.92335154      0.01465910      2.53333671
  H     -0.71046068      2.95283071      3.78570932
  H     -1.01749721     -4.52465196      4.68277028
  O     -3.27012700      2.55573888      5.21966320
  H      0.07269110      2.22920561      4.89480982
  H     -0.16647731     -2.69587550      3.05217870
  O      0.80040955      1.68195497      0.55577846
  H      3.24353549      0.64249689     -0.75217972
  H     -0.03713268     -2.35947037      1.52360362
  O     -1.05648300     -3.63719298      4.33744846
  H      2.32683633      0.81296064     -1.97663239
  H     -3.39286876     -3.91609478     -0.36942140
  O      0.15476891     -2.04429269      2.41621501
  H     -4.69407182      0.43428740      1.25325881
  H     -2.10788795     -3.16258976      0.04232319
  O     -3.05324569     -3.26778684      0.24284363
  H     -4.89345335      1.66265789      2.16517619
  H     -3.36838080     -1.38423047      0.25599228
  O     -3.26812381     -0.43143311      0.36766832
  H     -6.20346398     -1.36597295      4.09310503
  H     -2.80495760     -0.30433230      1.21262094
          69
 Energy    -249.86860806263655     
  O     16.54330880     11.78487883    -16.28667295
  H     16.54307092     12.70405742    -16.54028431
  H     16.87547394      3.87027418    -15.20125035
  O     15.31347844      5.99263227    -13.39859308
  H     15.61202741     11.53197603    -16.15445069
  H     18.75379369      5.58782756    -12.55431877
  O     18.57135074      8.94468965    -12.05861851
  H     16.02069947      6.02096141    -12.74044805
  H     19.93436524      6.15441149    -13.36947114
  O     18.63145191      5.39724772    -17.35316414
  H     15.47225227      5.24700425    -13.99756539
  H     16.17815368      7.87548939    -15.83025624
  O     16.00177394      5.21904543    -17.95570133
  H     18.09664571      9.53033783    -12.66714720
  H     16.20293039      7.15727319    -14.44563423
  O     14.56991598     10.65066035    -10.19755995
  H     19.35381328      8.64804423    -12.53858156
  H     14.04995034     10.93459663    -14.70438190
  O     13.35769087      7.91690285    -13.38771963
  H     18.93121584      6.25357297    -17.02419991
  H     13.58022493     10.18362702    -15.95704293
  O     17.11541905     10.30134667    -13.96002789
  H     18.77590792      4.76528666    -16.63653226
  H     15.62276175      6.37856167     -8.56305910
  O     18.75417925      3.63786027    -15.14015361
  H     15.88114171      4.68883546    -18.73905800
  H     15.01718497      7.17875323     -9.74144109
  O     13.62430004      7.95347740    -10.47548148
  H     16.96371972      5.29444708    -17.81414303
  H     11.98232667      8.17910378    -16.30666756
  O     19.11384015      7.92720517    -16.14118150
  H     15.46692517     10.31434753    -10.01988891
  H     12.99043998      8.13960731    -15.13970481
  O     15.94669933      4.12487653    -15.27580053
  H     14.39472694     11.32874314     -9.55115135
  H     20.14237193      7.96778244    -14.69265738
  O     19.45406373      5.34195250    -13.17358655
  H     14.01714394      7.20503745    -13.37163050
  H     21.48607486      8.12873463    -13.94587456
  O     16.63980096      7.82815582    -14.98173907
  H     13.81423222      8.75871004    -13.23897185
  H     16.92506090      6.46077384    -10.77398597
  O     14.00587045     10.99806910    -15.66908866
  H     16.94834556      9.42142130    -14.33838801
  H     17.75210400      7.30917348    -11.77739355
  O     15.85278230      6.87574436     -9.34309274
  H     17.08920389     10.92062571    -14.69847603
  H     16.71568688      8.59434723     -9.49298884
  O     12.89442934      8.34889080    -16.08379310
  H     19.21053705      2.81116719    -15.00953681
  H     17.63885464      9.37606882    -10.45527749
  O     20.56642362      7.90934221    -13.81911354
  H     19.03089801      4.22775499    -14.41618905
  H     17.33045230     10.39630532    -17.35089708
  O     17.39746015      6.42323678    -11.61516176
  H     13.78586178      8.89747149    -10.35004078
  H     16.83237664      9.03610519    -17.85112401
  O     16.97945675      9.48450402     -9.75839094
  H     13.35435578      7.84577813    -11.39407524
  H     15.46666468     10.42102385    -13.22932528
  O     17.62485838      9.58419727    -17.78080762
  H     18.82559935      8.56993552    -16.80492186
  H     14.49424170     10.62857559    -12.03480513
  O     14.53210135     10.42546035    -12.97674994
  H     18.30932806      7.74295412    -15.63097734
  H     14.44075268      7.98154766    -17.08012048
  O     15.33736354      7.87530130    -17.42254121
  H     15.83571171      4.44542152    -16.17838737
  H     15.45818221      6.94787579    -17.67062897
          69
 Energy    -249.86830242592583     
  O    -12.72252550     -0.01387365      1.86552129
  H    -13.55000119     -0.39922222      1.58925669
  H     -8.72772087      6.65868181      2.41695767
  O     -9.57272413      6.53041297      0.77546027
  H    -12.09853635     -0.12970211      1.12576398
  H    -10.32700823      0.61467903      0.06527222
  O     -9.25044899      0.39867287      4.99627444
  H     -9.88277196      7.14235054      0.11376656
  H    -10.14456304     -0.89326360      0.30894086
  O     -5.62683609      6.32123344      3.60828240
  H    -10.36338054      6.14231339      1.19370273
  H    -11.13891504      2.69790025      3.75991242
  O    -10.84009511      6.72773002      4.68819154
  H     -9.77903724      1.20670148      4.91123339
  H     -9.75375896      3.18781965      4.24722805
  O     -5.35254821      5.15254080      6.22168379
  H     -9.79013598     -0.31769522      4.63105892
  H     -7.12682743      1.06004132      2.57673278
  O     -7.34382582      1.26439363      6.76398359
  H     -5.48457998      5.96302720      4.49262291
  H     -8.30624464      0.45326317      3.39872525
  O     -8.88606010     -1.83020789      1.40993567
  H     -6.55353332      6.59308035      3.56961092
  H    -11.84482020      4.54060374      2.14914180
  O    -10.77079821     -1.36046164      3.54200443
  H    -11.12246478      7.62984384      4.82102231
  H    -11.56173082      5.76036920      3.07388171
  O     -5.30667977      4.71724595      1.43933267
  H     -9.96196083      6.77007517      4.27518694
  H     -7.70641265      3.09621015      6.91393343
  O    -11.85101298      2.67160688      2.09996451
  H     -6.23405440      4.86370650      6.51495496
  H     -8.71012065      4.30277885      6.84666537
  O     -8.42985656      6.55355845      3.33025302
  H     -4.94742918      5.59403757      6.96437137
  H     -8.43707843      5.08164667      0.37338734
  O    -10.77471393     -0.23913131     -0.01852883
  H     -8.00092690      0.89171902      6.15208473
  H     -7.03446149      4.47020789      0.60641061
  O    -10.56952429      2.75070215      4.53746084
  H     -7.27992437      0.65343885      7.49435859
  H     -5.64856583      3.11849561      2.30965977
  O     -7.88186478      0.45651292      2.53039134
  H     -8.22017605     -2.48508052      1.21800075
  H     -5.53621042      2.37662028      3.69110873
  O    -11.64927568      5.48679949      2.15429985
  H     -8.41951331     -1.05085056      1.75920351
  H     -5.00713872      3.31407269      5.71163742
  O     -7.77689466      4.04933345      6.77462867
  H    -10.19848458     -1.69322471      2.83967514
  H     -5.73567894      1.96160259      5.90077631
  O     -7.91549853      4.27628472      0.26826129
  H    -11.50153167     -0.91829842      3.09298434
  H     -8.92311812      1.54592035      1.43752350
  O     -6.01235162      2.40488544      2.84690409
  H     -4.54032764      4.98224447      0.93765925
  H     -8.91324918      2.83992853      0.57452901
  O     -5.04265220      2.40327026      5.39455104
  H     -5.36974876      5.32373630      2.19814776
  H     -7.43298352      3.38660410      3.54770259
  O     -9.46163043      2.09173967      0.85068477
  H    -11.01445195      2.53532728      1.62611220
  H     -7.91585027      3.95096216      4.92121327
  O     -8.12874196      3.89613881      3.97958408
  H    -12.32219413      1.83148246      2.05692508
  H    -10.62793004      5.42964552      6.06390573
  O    -10.42689877      4.64067692      6.58223952
  H     -8.33628060      5.59926492      3.48496209
  H    -10.65892153      3.90167508      6.00181721
          69
 Energy    -249.86822255493863     
  O     10.68407545      9.63005962    -12.71517738
  H     11.50268059      9.91042974    -13.15321893
  H     16.28004352      5.70627863    -17.85905251
  O     14.27902382      6.08517812    -14.96947537
  H     10.11945508     10.39919327    -12.68045065
  H     18.30675688      6.67274507    -14.91150754
  O     16.77118714     10.72760005    -10.70149768
  H     14.86246312      5.99318941    -15.73302577
  H     18.12520716      8.03257155    -15.62720222
  O     14.96010176     10.94907123    -15.98606075
  H     13.56947990      6.69338741    -15.22486026
  H     15.33226829      7.22691354    -14.03750194
  O     12.42456516      8.00833635    -15.62036067
  H     16.50291113     11.53686917    -10.27404178
  H     16.68857593      7.23145812    -13.28198231
  O     15.97025609      6.33239015     -9.01253741
  H     15.96661046     10.31918732    -11.06296079
  H     11.87417083      7.50323044    -10.46408378
  O     13.59935604      5.23586739    -12.41821591
  H     14.81878120     10.17009134    -16.55563313
  H     10.86851828      8.32779042    -11.30758030
  O     14.65818300      9.35575220    -11.76776606
  H     14.91454539     11.71366679    -16.55450283
  H     20.72225429      7.86775000    -11.49227289
  O     14.46897987      8.69735806    -17.39761364
  H     11.57205965      7.67603515    -15.30473391
  H     19.50296087      8.68525026    -11.98657949
  O     16.29842600      4.86944047    -11.47481263
  H     12.66491199      8.74166072    -15.03891592
  H     10.14199163      4.66797735    -11.90156371
  O     17.31033904      9.67714925    -14.95790851
  H     16.62488076      7.03158915     -9.18987823
  H     10.75552370      6.06610353    -11.64573772
  O     16.03735723      6.29364407    -17.14827611
  H     16.15245783      5.99920848     -8.13812419
  H     18.36706370     10.08346448    -13.49139051
  O     18.24401960      7.08704824    -15.78303364
  H     12.64290543      5.10729477    -12.39530186
  H     18.13884120     10.46237790    -12.00872980
  O     15.93171132      7.78249720    -13.52429811
  H     13.82828407      5.43928639    -13.33626483
  H     17.57137485      5.58897672    -12.52063881
  O     10.94722344      7.55296601    -10.73829625
  H     15.17623699      8.81849664    -12.39109387
  H     18.73950103      6.63410901    -12.52370184
  O     19.77171235      7.84947829    -11.56228845
  H     14.23468139      8.71662505    -11.17978891
  H     17.44534812      9.13954174     -9.87522132
  O     10.76713662      5.29972128    -12.24753978
  H     15.04517716      7.92430648    -17.41097820
  H     18.49772236      8.05859685    -10.18732677
  O     18.80067044     10.13272102    -12.62891964
  H     13.64998888      8.41301702    -16.96747772
  H     13.68702703      6.53277975    -11.12110848
  O     18.11240502      6.16216683    -13.08610908
  H     15.39308808      4.82697318    -11.80644653
  H     14.39960614      6.90713489     -9.79945998
  O     17.75431708      8.26613557     -9.60767245
  H     16.23532922      5.27732107    -10.60285979
  H     13.73728198     10.56398923    -14.58118961
  O     13.68842452      7.17446092    -10.39472213
  H     16.80329064      9.00702774    -14.47157713
  H     13.66510170      9.95715699    -13.15101900
  O     13.13611002     10.17900991    -13.93152088
  H     16.64804537     10.24868330    -15.35974240
  H     10.32021756      6.50040243    -13.68951121
  O     10.16861724      7.24278917    -14.28712973
  H     16.86344418      6.54743976    -16.70013066
  H     10.17962619      8.03334055    -13.73321023
          69
 Energy    -249.86757087925039     
  O     14.32854104     11.09890474     -9.87200685
  H     14.36347728     11.97223291    -10.28945333
  H     13.91797758      6.71391512    -11.40427996
  O     17.00990847     12.02846577    -12.41888554
  H     15.06333402     10.59647795    -10.24830894
  H     10.64583858      7.96133538    -10.11356307
  O     11.16458225     11.01862978    -15.49095464
  H     16.92690342     11.22423745    -11.88126740
  H     11.90735134      7.87318626     -9.20855046
  O     10.01572747      9.04495580    -14.05224254
  H     17.91235699     12.32469015    -12.32593167
  H     13.94084872     13.07055313    -12.27139774
  O     13.00196068     12.06462065    -13.65267177
  H     10.71786813     10.32195464    -14.97663491
  H     15.42689906     13.02653050    -11.87378083
  O     15.40923788     10.94331357    -14.53747625
  H     10.50492996     11.40688296    -16.05923774
  H     12.73416523     10.17589507    -16.13698068
  O     16.47423513      9.63671607    -11.06542390
  H     10.47461752      8.20740108    -14.21018263
  H     14.26174928     10.21847069    -15.91001973
  O     14.85629660      4.29749017    -13.03560224
  H      9.81239498      9.07060599    -13.11090232
  H     16.46050976      6.93485928     -8.70704043
  O     13.23781864      7.98410657    -12.44284823
  H     12.32360925     11.85830634    -14.30807868
  H     15.43201684      6.86574459     -9.86091902
  O     11.97455707      4.45139905    -13.06302766
  H     13.82848793     11.68232395    -13.98188625
  H     11.53473382      5.74602510     -9.98730636
  O      9.80282042      9.31322325    -11.19497354
  H     16.02941700     11.46288943    -14.01410028
  H     11.43574489      4.25494901     -9.58705471
  O     14.28849396      5.97489276    -10.89468184
  H     15.53245035     10.02969847    -14.23533906
  H     14.97618444      6.41656533    -15.56278957
  O     11.17843117      7.35828103     -9.58486236
  H     16.29353043      9.19350401    -11.90918399
  H     15.43439588      5.49094007    -14.41279537
  O     14.55194267     13.27912890    -11.55318730
  H     16.44906354      8.94354481    -10.39475367
  H     13.33902910      6.79203025    -17.43714596
  O     13.56242422      9.73595076    -16.36603451
  H     14.77618869      4.87451255    -12.25868897
  H     13.52921655      8.00801283    -16.50037072
  O     15.95100354      7.47360799     -9.30738140
  H     15.39855864      3.55677329    -12.77386851
  H     11.65293856      5.94011840    -13.99025825
  O     11.84341234      4.84751316    -10.21199127
  H     12.84415928      8.79802898    -12.10710003
  H     12.21676772      6.81271827    -15.16368997
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  H     12.64874355      7.61516733    -13.11455304
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  H     12.91566612      4.26104211    -13.15850078
  H     13.62691739      9.65590608     -8.84940962
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  H     14.81965273      8.32683832    -13.11149808
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  H      9.18576829      9.89743005    -10.76016600
  H     15.91270990      7.69368000    -14.00195003
  O     15.72576153      8.45229569    -13.43297575
  H     10.64028165      9.80353288    -11.27793411
  H     12.89827407     10.64122032    -10.87944255
  O     12.24133117     10.43804543    -11.55769910
  H     13.52956602      5.49818968    -10.53242456
  H     12.43265917     11.01514446    -12.30927351
          69
 Energy    -249.86704951296414     
  O      2.40244113     -0.48411171     -0.84735493
  H      3.29122949     -0.38480799     -0.47932914
  H      3.21323781      3.53723946      5.05277124
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  H      4.59740556     -0.67592157      3.32869448
  O      6.95693295     -2.48850907      4.03957930
  H      4.27884389     -0.00920399      5.80144043
  H      5.36622431     -2.01344745      3.20782374
  O      7.35934433      1.09260935      0.79638247
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  H      0.76670212     -0.31771288      6.53256938
  O      0.68036334     -1.88625601      0.71203528
  H      6.89414015     -2.08885349      4.92674177
  H     -0.42807684      0.37292907      7.23324535
  O      4.77659923     -0.01422663      0.56029869
  H      7.37863432     -3.33621945      4.14947123
  H      3.68916727      1.36115328      4.01066962
  O      1.73047163     -1.70718752      6.11130398
  H      7.98405121      1.33334148      0.11731622
  H      5.20064851      1.45678158      4.25879477
  O      1.85239892     -1.65484337      3.26172170
  H      6.98000475      1.92325294      1.13838457
  H      8.97449487      1.49320318      5.99057398
  O      0.57832715      0.76726746      3.87307240
  H      1.32296846     -1.45726881      0.11854979
  H      8.17682846      0.88790706      4.80872892
  O      1.23226163      2.12877532     -0.51309938
  H      0.30515921     -2.61803420      0.22972454
  H      2.73713166      2.46838381      0.50705691
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  H      4.71997378     -0.63700742      1.29885691
  H      3.91133820      1.57778685      0.97585679
  O      3.69641168      3.85053164      5.83747583
  H      5.69249653      0.28675735      0.52288037
  H      7.78888204     -0.87386203      3.41195227
  O      4.60548188     -1.53033277      2.86491919
  H      2.62134099     -1.41636119      6.35202873
  H      7.90044027      0.32639134      2.43270371
  O      0.30833263      0.53537835      6.64957096
  H      1.74423441     -1.87286779      5.16039868
  H     -0.16961200      0.86173042      2.16301149
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  H      1.42208633     -1.84798454      2.41924417
  H     -0.15801192     -0.18040156      1.03258760
  O      8.08957434      1.32259900      5.67812390
  H      2.80535574     -1.71128149      3.10656009
  H      6.82055107      2.56940851      5.13331219
  O      3.48661832      2.43623102      1.11502842
  H      0.35194672      0.75496571      4.81143820
  H      5.45142191      3.34638183      5.19548149
  O      8.14569830      0.01695271      3.31235082
  H      1.04408006     -0.06114406      3.68438812
  H      1.72339448      2.12186336      3.71843245
  O     -0.33654265      0.75009535      1.21784420
  H      0.61569647      1.70097233      0.10855412
  H      2.79398718      2.71797543      2.74686088
  O      6.14486446      3.01948424      4.60879113
  H      0.70519250      2.66012020     -1.10328205
  H      5.19297345      3.18009028      1.56195712
  O      2.47868922      2.72422939      3.66196085
  H      3.03011528      2.51807627      7.09080498
  H      6.15865153      3.29749294      2.77257546
  O      6.12292242      3.26732028      1.80680822
  H      1.86839384      1.51529132      7.31390938
  H      5.88027029     -0.98086514      6.66287569
  O      6.79200552     -1.16944719      6.39808344
  H      3.44208080      4.76101374      5.96943007
  H      7.22928968     -0.31406686      6.31853489
          69
 Energy    -249.86693387197323     
  O     13.05584785     12.86707366    -15.26940262
  H     13.83443432     13.33445172    -15.59254216
  H     18.57679094     11.36380743    -14.61682340
  O     18.58334641      7.01939750    -13.56380681
  H     13.05311006     12.02287268    -15.73934298
  H     16.92887640      8.64365598    -19.48770917
  O     18.50490945     11.45958320    -10.93228309
  H     18.45411667      7.30598442    -14.47696124
  H     15.87043037      8.50181783    -18.36684264
  O     16.93213374     14.04179617    -13.88521037
  H     17.84858633      6.42685651    -13.36398667
  H     15.77956636     11.23488106    -12.73984789
  O     16.12931362      5.67245094    -12.79146967
  H     18.79479615     11.89160797    -11.74362141
  H     16.60742473      9.91267543    -12.53181689
  O     14.72651355      9.46401197    -10.03709079
  H     18.44443809     10.51477479    -11.13508588
  H     14.51431620     10.69759890    -16.68124334
  O     12.49260553     12.79481621    -12.62804698
  H     16.46430349     14.03963525    -14.72765618
  H     13.64952854      9.93484962    -15.63744291
  O     14.37484637      7.91551232    -17.69320014
  H     16.30332209     13.72380099    -13.22159095
  H     17.30091190      8.29235242    -11.10460062
  O     15.95784092      7.13334646    -10.40955417
  H     15.98561420      4.75644318    -12.56406972
  H     18.24865402      8.28627882    -12.32780052
  O     17.77947781      8.17374747    -16.02976270
  H     15.99680926      6.18342935    -11.97749074
  H     12.52096629     10.96550426    -12.05901368
  O     15.37508680      6.92046624    -15.21810747
  H     13.97179116      9.68305599    -10.60451663
  H     12.94735225      9.59616821    -12.61910204
  O     17.96262552     10.75592695    -15.04214008
  H     15.18049601     10.28816186     -9.83491184
  H     15.44017250     12.64383887    -11.12728443
  O     16.73044963      8.90150320    -18.59184895
  H     11.74238637     13.35514345    -12.44927492
  H     14.26001264     12.86822782    -12.13857556
  O     16.05620050     10.40703104    -13.15304832
  H     12.64523913     12.82930159    -13.58985253
  H     18.43763629     13.24410275    -13.60540254
  O     13.61712347     10.39144960    -16.49300740
  H     13.91214914      8.70846977    -17.39142793
  H     19.98355310     13.27516389    -13.51719643
  O     17.85797440      8.85810517    -11.65067674
  H     14.57761507      7.40648435    -16.89735751
  H     16.35632485     12.31214105     -8.75044932
  O     12.69539011     10.05224458    -11.80454346
  H     15.43813926      7.94863046    -10.27688296
  H     17.06037544     11.79101986    -10.02679340
  O     15.22114479     12.83983586    -12.04729942
  H     16.07535009      6.74684797     -9.54553719
  H     16.44624555     10.59490452    -17.78036252
  O     19.22905398     12.69675258    -13.44590950
  H     17.95289640      9.05378822    -15.66376124
  H     16.90208808     11.17540894    -16.42342889
  O     16.19140152     11.92285292     -9.60486578
  H     17.57242415      8.31339628    -16.96090541
  H     15.55685849     14.47059855    -17.09658248
  O     16.26876932     11.30003694    -17.14654953
  H     16.20562501      7.35426283    -15.46249459
  H     15.79126997     12.98568321    -16.74512889
  O     15.52005933     13.84320452    -16.37814722
  H     15.56040131      6.40359999    -14.42498997
  H     14.30028517      8.21091311    -14.46288772
  O     13.91538927      9.02382699    -14.11314933
  H     17.23948670     10.63257371    -14.40574232
  H     14.65768320      9.52975983    -13.74515131
          69
 Energy    -249.86648223385939     
  O     10.69972819      5.33143243    -14.07177820
  H     11.54725533      5.21410166    -14.53930862
  H     16.08404681      5.72536589     -9.20808813
  O     13.79305843      3.14623029     -9.51670263
  H     10.00991916      5.18012076    -14.71254961
  H     16.93817614      7.21664655    -13.39038273
  O     16.22932327      9.72888708    -11.60581779
  H     13.03451091      3.69395886     -9.28220375
  H     16.16552712      8.45949666    -12.86629331
  O     16.26742676      7.47587028     -8.46077225
  H     14.56973071      3.72059851     -9.48182756
  H     14.47465139      5.16925214    -12.50255805
  O     11.18152096     10.45840672    -12.75443356
  H     15.55320924      9.47294277    -10.96283410
  H     15.06488765      6.60071840    -12.44406674
  O     11.39727071      4.72328129     -9.28187809
  H     15.95216807     10.56969020    -11.99039863
  H     11.66440151      3.07574648    -11.92614557
  O     13.68794670      7.93739063    -14.79555709
  H     16.36492350      7.71115500     -7.54104684
  H     10.85401223      4.24314508    -12.55033653
  O     14.75599082      3.69012876    -13.49730130
  H     15.56660975      8.04625955     -8.81735419
  H     15.38726543     12.84324190    -13.09219915
  O     13.13267816     11.22979196    -10.77893730
  H     11.22045402      9.48841530    -12.81186203
  H     14.54906082     11.58721345    -13.43475707
  O     18.49795124      6.38850857    -12.74848739
  H     10.26277472     10.70206323    -12.83338105
  H     13.23432751      6.56421420    -10.98208864
  O     17.15847035      3.93239897    -12.14745392
  H     11.16264025      4.36225277    -10.15752284
  H     12.11698747      6.28419319     -9.93359277
  O     15.90226684      4.97258517     -9.78094981
  H     10.66586374      4.53605253     -8.70004198
  H     17.66076363      8.72848876    -10.93329353
  O     16.09801553      7.68763131    -13.44769639
  H     14.56802389      7.85940567    -14.39811076
  H     17.67766941      7.72515765     -9.77974618
  O     14.50841080      5.97260104    -11.96665530
  H     13.03849575      7.85924621    -14.08343400
  H     13.86188051      9.83177564     -9.91654406
  O     10.96927025      3.72140570    -11.74737233
  H     14.24796261      3.01319958    -13.03142530
  H     13.64422496      8.29928213     -9.88398358
  O     15.09562783     12.00523972    -12.74462224
  H     15.65610459      3.67466953    -13.13683285
  H     12.59779972     10.75559614    -13.99039695
  O     12.54607852      6.98490192    -10.43831346
  H     12.39899786     10.99673946    -11.36128156
  H     13.56765948      9.85100450    -14.77159775
  O     18.16337680      7.98572468    -10.57030900
  H     13.78779605     11.64850644    -11.35043805
  H     13.24433473      1.02697129    -11.82158876
  O     14.29104949      8.99278011     -9.69091459
  H     18.45451065      6.90693237    -11.92485925
  H     13.47568083      2.32962556    -11.01710690
  O     13.43118410     10.76054464    -14.47856776
  H     19.39023671      6.46718675    -13.07597619
  H     11.13150631      6.96181811    -13.28221397
  O     13.22200441      1.97767800    -11.89022472
  H     16.89812744      4.11045482    -11.23507932
  H     11.80263791      7.51085871    -11.99100503
  O     11.51736504      7.75173095    -12.88412621
  H     17.68474024      4.69739438    -12.41167023
  H     13.43079308      6.07307214    -15.26698363
  O     13.10829815      5.16319033    -15.25397507
  H     15.44384643      5.34024402    -10.55251233
  H     13.76259164      4.62982116    -14.78332389
          69
 Energy    -249.86590109123469     
  O     15.55882275     10.58044826    -15.97441361
  H     15.67723500      9.89363120    -16.64388695
  H     15.20823004      3.32018654    -18.07336776
  O     13.52473808      5.36748260    -16.42866394
  H     16.39938868     10.64812869    -15.51023872
  H     19.94722681      5.35353681    -16.23348643
  O     17.71572654      6.48878643    -11.82541133
  H     13.19872788      6.21314429    -16.75935687
  H     18.96239963      4.51564924    -15.39543153
  O     19.75747316      6.68438689    -17.61335784
  H     13.49876544      5.42728529    -15.46418573
  H     16.90002729      6.12014385    -15.32623192
  O     17.26868299      6.16593892    -18.53977723
  H     18.58610524      6.44010533    -12.23717147
  H     17.68958351      7.45501040    -15.35403020
  O     13.55838907      7.34071484     -9.94421941
  H     17.30384725      7.30160666    -12.15396609
  H     13.95597636      9.97102513    -15.29344693
  O     13.66669305      5.65797612    -13.65403387
  H     20.33857520      6.75620147    -18.36580892
  H     13.24948198      9.13347350    -14.19064194
  O     16.47893453      8.63320489    -13.06126412
  H     18.87226995      6.48062551    -17.96613763
  H     14.07982659      3.86355110    -10.64695423
  O     17.18358078      4.28664961    -15.33194672
  H     16.73622642      5.39740654    -18.30462595
  H     14.76167068      2.61643202    -10.03119107
  O     12.71285938      4.85314486    -11.10603419
  H     16.70051073      6.93304579    -18.38156633
  H     12.85890546      8.50173235    -16.46551612
  O     19.37442066      8.26701967    -15.33277190
  H     14.43187138      6.93638064     -9.79710676
  H     12.09836873      8.30019576    -17.79769864
  O     15.55595478      4.05265172    -17.57252544
  H     13.31218127      7.76913679     -9.12875998
  H     20.10408543      5.79608923    -14.00357908
  O     19.87424524      4.84343962    -15.41831283
  H     13.68119178      6.58306899    -13.37174031
  H     21.01950099      6.34853640    -12.88320113
  O     16.80251062      7.07889231    -15.27830211
  H     14.51595600      5.27056624    -13.40231794
  H     15.74771786      3.95727473    -12.05631280
  O     13.14781170      9.47917057    -15.08471269
  H     16.95073376      9.42418814    -13.34419904
  H     16.66695399      5.13191116    -12.48503556
  O     14.94156936      3.44934615    -10.45758465
  H     16.43937925      8.05839805    -13.84406823
  H     16.65306085      6.21321028    -10.27532800
  O     12.81877719      7.95948260    -17.27532261
  H     16.72933139      4.15067841    -14.48877053
  H     15.69801039      5.10069017     -9.79645421
  O     20.16558694      6.46134816    -13.29290184
  H     16.59116965      4.05922329    -16.05985620
  H     15.91812448      7.77665808    -16.72598815
  O     16.07770783      4.44218625    -12.82253560
  H     12.83349951      5.04611179    -12.04566831
  H     14.66366052      8.10193931    -17.57938870
  O     15.93346513      6.02691905     -9.65900299
  H     12.81973720      5.69942584    -10.65384353
  H     13.62773142      8.05005124    -11.67380974
  O     15.62429962      8.19734270    -17.54901535
  H     19.60087614      7.82099791    -16.16061484
  H     14.72453666      8.48914016    -12.67906390
  O     13.78726447      8.25767985    -12.60238981
  H     19.72462359      7.73340353    -14.60641590
  H     18.61258190     11.28500855    -14.36074414
  O     18.04035796     10.52896919    -14.46529229
  H     14.78969726      4.52365865    -17.19439909
  H     18.58655209      9.81096238    -14.82540070
          69
 Energy    -249.86546979273947     
  O     15.26454655     12.58094977    -12.29275981
  H     15.93510809     11.93720929    -12.02538474
  H     15.26944121      7.41122189    -14.29757462
  O     17.36625452      9.35870499     -7.85783182
  H     14.73485098     12.76054632    -11.50635251
  H     11.07150393     10.75628675    -10.10019240
  O     16.91678975      6.70147535    -10.63529334
  H     17.92575933      9.16810802     -8.62001763
  H     11.50266677     11.17445095    -11.52137624
  O     13.82955849      4.68976824    -10.70201978
  H     16.61302038      9.85539310     -8.20419980
  H     15.09444215      9.89676723    -14.03185829
  O     16.44883602      7.09836356     -6.59898772
  H     16.68696235      6.07275755    -11.32783433
  H     16.07535612      9.52160554    -12.89023829
  O     16.77530469     10.36785300    -11.43782163
  H     16.25400742      6.58938732     -9.94148219
  H     18.08366049      7.92920333    -10.45089100
  O     13.68611474     12.81593392     -9.92491879
  H     14.55171933      4.66076599    -11.34077539
  H     19.57545792      8.34930104    -10.44135865
  O      9.99513200      7.38504009    -11.20624087
  H     14.16970436      5.16144785     -9.92925979
  H     15.39705618      6.47950307     -7.90612502
  O     15.15434161     10.52574316     -9.18202694
  H     16.79600960      7.04942497     -5.71311539
  H     14.28417946      7.07548904     -8.81384730
  O     13.45149949      8.26149137    -12.00992312
  H     16.81242983      7.91325641     -6.98552802
  H     12.58304621     10.78106337    -13.66356152
  O     11.33230495      4.90688682    -11.61787433
  H     16.18684283     10.38216529    -10.66817385
  H     12.45430395      9.62406125    -12.64474197
  O     15.01100890      6.49676930    -14.47331998
  H     17.56334446      9.88823270    -11.15447083
  H     11.91773464      5.77780836    -13.14534896
  O     11.42799086     11.49212204    -10.61240582
  H     12.84748314     12.37426788    -10.14903071
  H     11.52381257      7.01569444    -13.99161349
  O     15.53532510      9.15253852    -13.60451986
  H     13.46168024     13.60927848     -9.44618920
  H      9.50489717      8.65566597    -14.51318933
  O     18.69104729      8.68385460    -10.32657582
  H     10.42507951      6.52175403    -11.25472140
  H     10.73180051      9.13895306    -13.70361742
  O     14.88171802      6.32202600     -8.71003000
  H      9.93509496      7.70596441    -12.11328786
  H      9.87149666      9.07742129     -8.54955439
  O     11.94629409     10.30026374    -13.12012208
  H     14.48898140      9.82376462     -9.14936844
  H     10.29797168      8.51430097     -9.92583882
  O     12.25467980      6.41972762    -13.78541877
  H     14.68191665     11.35579845     -9.31613851
  H     15.66769037      5.40445305    -13.28802609
  O     10.18157731      8.36363878    -13.90812532
  H     13.06995611      7.52710721    -12.50592272
  H     16.47207584      4.12305835    -12.97036457
  O     10.53027294      9.15944888     -9.23386594
  H     14.26498760      8.51219731    -12.46836943
  H     14.50537744     11.96168538    -13.70423949
  O     15.98349014      4.83451953    -12.56535241
  H     12.22338500      4.81588526    -11.23122351
  H     14.25418399     12.02055790    -15.23152276
  O     14.10007087     11.48926849    -14.45540085
  H     10.91245940      4.05489579    -11.53800454
  H     12.34567105      8.71143601     -9.12361897
  O     13.26897186      8.50292223     -9.30235375
  H     14.04804150      6.45716577    -14.40063035
  H     13.34160151      8.37649446    -10.26223047
          69
 Energy    -249.86545338296378     
  O     16.18573598      9.86124700    -15.28599574
  H     16.18986622     10.82632174    -15.30805727
  H     12.98472103     10.85772184    -12.74929107
  O     15.33618691      7.78285483     -9.34375626
  H     15.31560174      9.52086576    -15.53784871
  H     16.02520845      4.39720579    -15.46041775
  O     16.61704690     12.58928342    -14.94052008
  H     16.07052996      8.35704072     -9.61570184
  H     17.13106326      3.31568355    -15.41929100
  O     12.81509894      8.80878642    -10.41009061
  H     15.51662084      7.51733600     -8.44535908
  H     15.41446646      7.67097338    -12.29557620
  O     13.82996174      8.51821974    -15.78939251
  H     17.44545586     12.37950052    -14.46938619
  H     15.30748440      6.80209184    -11.03677952
  O     18.31973003      8.16175334    -15.23475915
  H     16.80053486     13.33333391    -15.50776863
  H     17.79292935      7.05477307    -16.67943079
  O     20.24629642      9.50593665    -13.85011080
  H     13.61390143      8.48153543     -9.98492831
  H     17.33731322      5.58792127    -16.67252858
  O     17.69654928      6.16251432    -13.38552568
  H     13.03997392      9.66744640    -10.80016144
  H     18.07615233     12.49890074    -10.02797792
  O     11.30136309      7.83933277    -12.44568795
  H     13.68727651      7.85351468    -15.10000840
  H     17.63327431     11.12801419    -10.58524277
  O     15.42108984     12.93072705    -12.33372340
  H     14.05496333      8.02701359    -16.58987562
  H     15.69387600      6.73438157    -17.69238196
  O     12.09567626     10.06905411    -14.11615651
  H     18.07704987      7.48725917    -14.58307364
  H     14.61682088      6.78945012    -18.80140886
  O     13.51178232     11.00299907    -11.94885170
  H     17.58000159      8.78500914    -15.30302747
  H     15.89458162      9.57533611    -13.53117339
  O     16.97974526      4.25252054    -15.32797876
  H     21.10573077      9.43757587    -14.25876190
  H     14.87411067      9.93045755    -12.40216730
  O     15.36484821      6.74689323    -11.99612933
  H     19.62242490      9.03495016    -14.42972912
  H     18.53946313     11.97938863    -12.53301246
  O     17.34694736      6.38641257    -17.21495558
  H     16.88680666      6.28103879    -12.86926199
  H     19.32220350     11.12569436    -13.56330786
  O     17.75141158     12.06437508    -10.81292762
  H     17.53164225      5.42783580    -13.98995370
  H     16.74369151      9.42525039    -11.27163323
  O     14.74067830      6.84646108    -17.85783263
  H     10.41843694      7.65586846    -12.13655308
  H     18.08370249      8.81998561    -10.78741965
  O     15.63293256      9.37446388    -12.62555674
  H     11.81339371      8.13643930    -11.67178303
  H     14.01705462      6.48730140    -13.17679615
  O     18.77670030     11.91517030    -13.46651985
  H     16.17814082     12.71126454    -11.77771573
  H     12.53831073      6.87410815    -13.41143894
  O     17.32978704      9.35696698    -10.49991073
  H     15.74146611     12.89341132    -13.24296782
  H     19.72221460      8.42360257    -12.34104718
  O     13.32544767      6.52954721    -13.85196961
  H     11.69307863      9.33890561    -13.62883245
  H     18.85248223      7.15914950    -12.21016714
  O     19.28014410      7.85688030    -11.69700894
  H     12.61064524      9.65969019    -14.82207272
  H     13.91010306      5.31944236    -15.11867152
  O     14.37994377      4.84507650    -15.81824020
  H     14.05735791     11.79367728    -12.06445569
  H     14.37548487      5.43303883    -16.58309838
          69
 Energy    -249.86534089871736     
  O     16.72924186     11.79445209     -8.87483422
  H     17.20385354     11.85657429     -8.04915704
  H     14.90765739     10.34582170    -11.49893265
  O     12.74499757     12.27283132    -15.10910870
  H     17.28270734     12.22660847     -9.54935304
  H     12.23616118     13.45969098    -13.95429552
  O     18.62201560     10.46707760    -12.43690280
  H     13.33723541     12.53445373    -15.82508262
  H     11.13905343     14.45967987    -13.51952103
  O     15.69016786     16.16390504    -10.95793580
  H     12.98962345     11.36653521    -14.88635748
  H     12.40807759     13.37488357    -11.60170988
  O     13.98237349      9.79616290    -14.47856795
  H     18.43713180     10.99043379    -13.22942401
  H     13.12756392     12.09986546    -11.13158529
  O     18.48332059      7.87588177    -13.28629026
  H     18.73467172      9.55089413    -12.73110660
  H     19.35702564     15.32191939    -15.08487792
  O     16.95909861      8.01835761    -15.60997286
  H     15.55103689     16.94402956    -10.42783678
  H     18.46305121     15.09545927    -13.84501154
  O     15.85032462     12.86846603    -12.74901427
  H     15.44036221     15.40161461    -10.40374372
  H     15.14892367     13.65082393    -16.65796144
  O     16.49014116      9.70724656    -10.78333728
  H     14.08189352      8.84325593    -14.36925836
  H     14.50308037     13.20195976    -17.99016593
  O     16.08415462     10.68735937    -16.08272824
  H     14.73354148     10.09277766    -15.01372586
  H     14.23830790      6.26494836    -14.12916284
  O     15.90929832     14.93086596    -15.78395161
  H     17.83336730      7.43705073    -12.72987718
  H     15.15649340      7.07517384    -13.18727888
  O     14.16776268     10.80194877    -11.91849418
  H     18.08041663      7.91668145    -14.16740366
  H     17.38950204     15.75778205    -11.75509323
  O     12.01634464     14.15356404    -13.30604177
  H     16.70905398      8.89658185    -15.92473324
  H     18.35405227     14.56635666    -11.65819264
  O     12.76028658     12.93836572    -10.81777938
  H     16.16003362      7.64009120    -15.22577828
  H     17.05379510     12.38219646    -13.94002552
  O     18.59003331     14.84618942    -14.77755490
  H     15.19004200     12.22553791    -12.46408135
  H     18.23936264     12.98195838    -14.71669685
  O     14.68594075     12.91562407    -17.09934405
  H     15.39336625     13.68566043    -12.97951893
  H     14.11161689     13.66849600     -9.90740586
  O     14.68147887      7.10465949    -14.03269325
  H     16.51606933     10.29285242    -10.01685398
  H     15.42082829     13.26405309     -9.19144500
  O     18.19888704     15.39345856    -12.13309125
  H     17.20919512      9.98160955    -11.37283267
  H     16.21709837      6.51181157    -10.91407063
  O     17.81060051     12.14602800    -14.50218228
  H     16.78075755     11.14409781    -15.58913082
  H     16.23068519      8.01276318    -11.27159727
  O     14.92464544     14.02159123     -9.51255654
  H     15.61574391     11.37549969    -16.57133542
  H     17.23191987     12.92445718    -11.56702692
  O     16.13925302      7.12019348    -11.64519682
  H     16.83934341     14.95303216    -15.53179111
  H     18.48891291     12.04002353    -11.43078556
  O     18.04149006     12.80426848    -11.04273444
  H     15.41196085     15.16955488    -14.98906649
  H     14.84779651     15.70380868    -12.54374315
  O     14.57004709     15.28564279    -13.36895169
  H     14.04682182     10.41267870    -12.79574354
  H     13.64358871     15.02229793    -13.28937233
          69
 Energy    -249.86528416926907     
  O     11.04028422     10.12312503    -10.91157688
  H     11.68981070     10.63450429    -11.40996291
  H     13.74625093     12.39635434    -15.28327687
  O     13.42583692      7.55397030    -15.04231317
  H     10.44959516      9.73209532    -11.56791781
  H     15.79000755      9.65306972    -14.47679108
  O     17.81909657     10.46012737    -11.39751308
  H     13.82477717      7.25538956    -15.86664543
  H     15.44408722      9.20984028    -13.02601486
  O     11.62162085      9.58776086    -14.56854977
  H     14.10778070      8.09882282    -14.61484436
  H     11.49340338      8.81400610     -9.85170816
  O     16.64930064      6.13044884    -10.84683705
  H     16.85957035     10.38126077    -11.30305199
  H     11.37752351      8.09528803     -8.48505169
  O     13.40024604      5.94609342    -12.78787650
  H     18.18259493      9.60404704    -11.13930304
  H     18.49295121      7.53644347    -14.26263188
  O     15.09156158      9.93043603    -11.40088095
  H     12.16068616      8.81896950    -14.80322678
  H     19.02099008      8.97188280    -13.99493546
  O     14.91151040      9.85938290    -17.45565843
  H     10.85104997      9.25912403    -14.09007659
  H     11.10225984      6.86981841    -10.81010034
  O     15.95638529      4.70885296    -13.01425140
  H     17.39834798      6.73875962    -10.85900683
  H     11.67020864      6.16805760    -12.06341917
  O     16.37611428     11.08892195    -15.37223950
  H     15.87379004      6.63259669    -10.56463443
  H     18.40235090     10.82663776    -12.98480384
  O     15.30131996      6.98688178    -17.09202644
  H     14.18641578      5.39522870    -12.88146488
  H     19.50356415     11.47362997    -13.86004879
  O     14.29079805     12.84369277    -14.60683948
  H     13.32607885      6.45357307    -13.60872416
  H     16.61896344      5.93690253    -14.26971318
  O     15.53012933      8.89666997    -13.93389501
  H     14.33221996     10.40965440    -11.76028895
  H     16.44576366      7.46885815    -14.43241019
  O     11.72297573      7.99966299     -9.36812442
  H     14.76547275      9.10732015    -11.01107579
  H     19.03864862      7.85271472    -12.04653343
  O     19.16263912      8.04121666    -13.78422509
  H     15.55725218     10.27656260    -16.86884822
  H     19.73340697      7.63213382    -10.68164054
  O     10.85642177      6.51074567    -11.67184003
  H     15.07434578      8.91193720    -17.40537672
  H     13.47717364     10.83713140    -16.85440057
  O     18.72797196     10.92012439    -13.89899721
  H     16.25901807      5.17043661    -12.20943620
  H     12.28524515     10.79872296    -15.86238506
  O     16.87739945      6.68837649    -14.81800618
  H     16.18216376      3.78902662    -12.90570157
  H     13.89702798      6.97474448    -11.33667600
  O     18.89262923      7.83569381    -11.08371987
  H     17.22582582     11.15259752    -14.91629043
  H     13.40052545      7.61280532    -10.01350236
  O     12.85729537     11.39502235    -16.36125530
  H     15.79592253     11.79249557    -15.05243756
  H     13.42379852     11.86063202    -13.21932563
  O     14.18681514      7.46435647    -10.55356123
  H     15.53138462      6.40432473    -17.81147573
  H     12.53005291     10.60970037    -13.34618437
  O     12.97947593     11.17794729    -12.70297876
  H     15.94419339      6.82264449    -16.38289107
  H      8.68255620      8.42125442    -12.99473514
  O      9.61237791      8.59934121    -12.88310663
  H     14.18722879     13.78116559    -14.74560196
  H     10.01018707      7.79673332    -12.50068898
          69
 Energy    -249.86491557351081     
  O     17.90910775      8.69924937    -12.98272668
  H     17.05561799      8.85119971    -12.54303386
  H     13.24587864      9.62221182    -13.75368903
  O     12.42786191      8.07350601    -10.18413254
  H     17.76290432      7.96534482    -13.59453202
  H     18.90822869      4.25522036    -10.51454517
  O     18.13326566     11.41673207    -13.29956155
  H     11.71456835      8.06612032     -9.55090735
  H     17.59510442      4.59896043     -9.79203242
  O     12.08205381      8.42651108    -13.06135203
  H     13.02103394      8.79946926     -9.92537217
  H     14.99719694      7.36333033    -11.43313350
  O     17.18457674      6.50756724    -14.49247643
  H     18.13077652     10.44518578    -13.28183135
  H     13.80168894      6.82660497    -10.63916434
  O     19.00814876      7.67968376    -10.66301372
  H     18.76382855     11.67739922    -13.96618028
  H     21.22279295      5.37174030    -11.04184910
  O     18.93979257      9.85943751     -8.90877461
  H     12.13077889      8.26167645    -12.11316343
  H     19.91458679      6.19508012    -11.03130417
  O     16.88018980      6.29443733     -9.36608393
  H     12.34228118      7.60869282    -13.50429594
  H     14.81118138     13.40951618    -10.19935097
  O     13.08148765      6.18327324    -14.59111012
  H     17.93379745      5.90177274    -14.39801833
  H     15.14270242     12.47779498    -11.38957662
  O     15.38369565     12.27649976    -13.08619587
  H     16.44296195      6.05381162    -14.07057739
  H     19.55228609      4.85084283    -12.97757769
  O     15.04700414      8.02850847    -15.64564703
  H     19.08366225      8.41121127    -10.03716043
  H     18.39328754      3.95870682    -13.44807287
  O     14.06039686     10.04812120    -14.05996563
  H     18.69674881      8.04923975    -11.50170972
  H     14.96022163      9.36656292    -12.65619085
  O     18.05799184      3.88354300    -10.24737903
  H     18.58499729     10.57603407     -9.46633277
  H     15.14818715      9.42029113    -11.10503911
  O     14.64619214      6.55852462    -11.01869879
  H     19.56254853     10.25941470     -8.30793902
  H     16.97064263     12.06698278    -10.37101516
  O     20.29614449      5.33199048    -11.26438134
  H     17.57276097      6.76292022     -9.85348217
  H     18.03533029     11.72208552    -11.43379478
  O     15.11786077     12.53313684    -10.41619401
  H     16.08043167      6.31873898     -9.91052776
  H     15.01711853      9.62990208     -8.98195926
  O     19.03666136      4.60878733    -13.75639211
  H     13.76723400      5.66473924    -14.13884291
  H     14.52009037     10.91284787     -9.74423361
  O     15.46414085      9.00215153    -11.91501977
  H     12.57110785      5.56736025    -15.11169078
  H     14.94976347      5.44958955    -12.37660426
  O     17.87826925     11.76087413    -10.48234212
  H     16.30057030     12.04723630    -13.27753971
  H     15.69276986      4.23465345    -13.01447937
  O     14.32642910      9.98417317     -9.56570776
  H     14.84191348     11.60063850    -13.51880362
  H     17.23626135      9.22885282     -8.30215894
  O     15.13597453      4.99759545    -13.21347534
  H     14.34134906      7.40538101    -15.43114086
  H     16.47395651      7.89985307     -8.39156501
  O     16.36667177      8.83333058     -8.16935354
  H     15.87054375      7.57318897    -15.43269584
  H     16.92177823      2.02716444    -12.54518760
  O     16.95695386      2.97996152    -12.54749306
  H     14.44886131      9.46361728    -14.72802858
  H     17.30837058      3.25005086    -11.67980589
          69
 Energy    -249.86419170255414     
  O     11.87813712     12.41894356    -12.77324128
  H     11.78803073     11.53203030    -12.38120319
  H     19.84029677      6.60715466    -15.94557119
  O     20.62603499      8.32723076    -11.29974328
  H     10.99576263     12.76689928    -12.86978408
  H     17.11751720     12.53501667    -16.15886004
  O     17.50929446     11.56243435    -11.64183612
  H     20.72917467      8.73686639    -12.17817671
  H     18.13366356     13.61112236    -16.61525733
  O     12.96297439      7.52895943    -12.52902465
  H     21.49236887      8.31046343    -10.90183838
  H     15.30179280      9.52793908    -12.96384514
  O     16.93199099      6.88261791    -11.66986304
  H     17.26616636     12.46526791    -11.40508743
  H     14.83184448     10.99129757    -13.22860073
  O     14.60331077      6.75365721    -10.23248859
  H     16.70329650     11.15144077    -11.99644271
  H     16.72202280      8.96784204     -9.23166532
  O     19.36302488      6.20727660    -12.82170127
  H     13.76278305      7.63575994    -13.06886590
  H     16.16229821      8.73058800     -7.81281576
  O     14.11098260     12.08695167    -14.43447499
  H     12.47668704      6.80094078    -12.91059841
  H     20.47111946      8.65220915    -14.43087294
  O     17.35563948      9.08675971    -15.31646811
  H     17.32669134      7.67050855    -11.27265044
  H     20.16883155     10.07790406    -13.93286365
  O     18.09226644      9.14341715    -10.41031394
  H     16.15817842      6.65652297    -11.13376585
  H     16.57906017     13.97926944    -14.59182720
  O     15.93192417     11.28725837    -16.44895456
  H     13.93968167      7.07775300    -10.85273726
  H     16.12254484     14.23889882    -13.12943087
  O     19.48240282      7.24185002    -15.33083752
  H     14.84852231      7.49412247     -9.66479123
  H     15.47953591     13.85078051    -11.07170802
  O     17.78446882     13.17320987    -15.84392162
  H     18.47060074      6.24901862    -12.44988065
  H     16.57608412     14.87734190    -10.70224214
  O     15.24144623     10.40763662    -12.57446699
  H     19.89749407      6.77259183    -12.25187313
  H     13.92871336     12.39632148    -10.37262924
  O     15.90232685      8.88008363     -8.71878569
  H     14.63760960     12.89371108    -14.30939022
  H     13.18794434     13.14353605    -11.49189334
  O     20.76802635      9.32784892    -13.80992630
  H     13.25942313     12.23125654    -14.00479351
  H     18.53430599     11.95257354    -14.67661623
  O     15.81373972     14.18640870    -14.04149381
  H     17.79538588      9.81432019    -14.85356692
  H     18.38604712     11.40797873    -13.22276544
  O     16.40501866     14.10818335    -11.23886305
  H     18.03536234      8.41565565    -15.45779681
  H     12.12424577      9.14716876    -11.96707008
  O     13.87118963     13.25179006    -10.82114363
  H     17.96237644     10.02504432    -10.78832774
  H     12.48152744     10.15168044    -10.86445636
  O     18.75265381     11.21324556    -14.09584921
  H     18.99954394      8.87907439    -10.61143678
  H     14.48550703     10.49314787    -10.94567696
  O     11.84205939      9.97961981    -11.56976158
  H     16.30358596     10.43151842    -16.20127960
  H     14.67665087     10.07303544     -9.46762177
  O     14.10853087     10.58241423    -10.05493832
  H     15.18954208     11.45804686    -15.85305093
  H     16.02729221      8.25733380    -14.40630602
  O     15.42530401      7.89423596    -13.74236861
  H     19.42106042      6.79357360    -14.46809805
  H     15.97804627      7.45787528    -13.07658567
          69
 Energy    -249.86255362684332     
  O     12.66029543     10.99697630    -12.47466140
  H     12.41298615     11.85837639    -12.14343137
  H     15.83964278      7.01400503    -16.63847785
  O     14.34055056      7.17565508    -17.59218794
  H     13.34278153     10.65900281    -11.87541153
  H     14.97858407      5.46946063    -11.47154571
  O     13.97485163      4.81787743    -12.85014916
  H     13.88803517      6.35389045    -17.36759477
  H     14.83700667      6.42665080    -10.25960619
  O     18.04320493      5.00923517    -11.44230452
  H     13.69919805      7.88911766    -17.49624939
  H     14.12293384      7.91266886    -13.92114372
  O     13.51646928      4.52118042    -16.74529343
  H     13.10514091      4.45369586    -12.64930108
  H     12.68296000      7.47478802    -14.33714808
  O     10.50523180      9.16817177    -13.04989926
  H     13.80923376      5.70738416    -13.20616582
  H     13.31356799     10.83636626    -14.27451483
  O     12.52535543      9.36497413    -17.16460135
  H     18.51808027      5.84009390    -11.56156596
  H     14.52310472     10.11996844    -14.89493880
  O     19.17666961      7.55104580    -12.23646742
  H     17.17689760      5.24736667    -11.08461416
  H     11.13798654      4.53883222    -13.49467110
  O     11.15361830      7.76570042    -15.32994396
  H     14.28162510      4.36705356    -16.16834387
  H     10.59823618      3.63822126    -12.35631113
  O     18.14419283      3.72827923    -13.83260404
  H     13.56143430      3.86041255    -17.43350757
  H     11.32233364      6.09698372    -11.76801441
  O     18.92785249      6.37396627    -14.66223930
  H     11.18969276      9.82074010    -12.85885396
  H     12.25298215      7.22418561    -12.24753963
  O     16.48398037      6.80304525    -15.94601625
  H     10.64899397      8.45415457    -12.41428487
  H     15.07007165      4.38670302    -14.17269700
  O     15.48355302      5.95846863    -10.80786019
  H     12.96078681      9.88491833    -16.46471747
  H     16.49266914      3.98088232    -14.64134037
  O     13.38678988      7.33585482    -13.68981320
  H     12.29023352      9.97639844    -17.85716631
  H     11.93685162      4.77765641    -15.71191203
  O     13.73823981     10.64214933    -15.11721620
  H     19.12711305      7.19321453    -13.14170279
  H     11.02909657      5.94746011    -15.28216573
  O     11.21804878      4.33722771    -12.54348524
  H     20.06192718      7.88488813    -12.12084354
  H     12.77109293      7.35561800    -10.19014197
  O     11.58419845      7.00607030    -11.57939478
  H     10.80107581      8.32230647    -14.61872799
  H     13.80477464      8.45951225     -9.90839442
  O     15.63418871      4.29033166    -14.95541909
  H     11.49087948      8.34086785    -16.02725056
  H     16.02695772      8.17463529    -14.88348135
  O     11.17744601      4.99863165    -15.16015698
  H     18.08928493      4.11479423    -12.93975078
  H     16.05882369      8.71855320    -13.42065072
  O     13.55737610      7.56159180     -9.66473626
  H     18.67705248      2.94110748    -13.75855212
  H     15.37041466      9.52551515    -11.07235844
  O     15.66149465      8.84669243    -14.29070814
  H     18.79372142      5.43426619    -14.48873905
  H     15.04531676     10.60326423    -10.02089105
  O     14.65367831     10.07460035    -10.71334253
  H     18.19406889      6.63844497    -15.23359314
  H     17.51310583      8.20372923    -11.83003105
  O     16.56819793      8.35703485    -11.70292114
  H     16.20747050      5.95399220    -15.57621209
  H     16.18348433      7.51248842    -11.42462381
          69
 Energy    -249.86134755911448     
  O     16.37888304      2.72606701    -12.17437702
  H     15.45145762      2.46776308    -12.14040116
  H     17.23933557      5.09582690    -14.95267172
  O     16.05407187      7.77323921    -10.87153200
  H     16.50503138      3.25435060    -12.97347097
  H     14.11215542      5.12032957    -10.95213421
  O     16.91374881      9.95653625    -14.58620825
  H     15.49182890      7.02105694    -11.12479366
  H     14.24105777      5.48626613    -12.47090796
  O     17.92717179      3.96528054    -10.33424116
  H     15.92840495      7.87755943     -9.92148367
  H     11.55177886      4.45179029    -12.75296453
  O     13.64801385      3.82325746     -9.72205651
  H     17.58177888      9.27441863    -14.39265271
  H     12.71423627      4.13234977    -13.71181154
  O     13.59816474      1.99279087    -11.82873523
  H     17.38659348     10.77395281    -14.71791215
  H     15.78422118      7.81514609     -7.31446400
  O     14.76515228      9.22359904    -12.90545610
  H     17.36438273      3.46299636    -10.95128899
  H     15.62446693      6.56545560     -8.21494811
  O     15.84428797      8.09406536    -16.48605975
  H     18.63763268      3.38313970    -10.07703043
  H     13.52650787      7.44943812     -8.45550593
  O     11.19245270      5.12323251     -9.23040609
  H     13.58955825      3.08506232    -10.34254571
  H     12.56271624      7.81534997     -9.60144829
  O     18.67114376      7.91280859    -14.20454578
  H     12.75303038      4.13423435     -9.53412027
  H     17.42592022      6.85515214    -11.60257801
  O     17.77385730      6.19886341    -16.33697018
  H     13.31671513      1.09149009    -11.96049530
  H     18.13797326      5.49624110    -11.41402432
  O     16.90064220      4.71985728    -14.13032564
  H     12.98437245      2.55659169    -12.33365108
  H     15.14210481      4.43456850     -8.82716983
  O     14.29770835      5.83436235    -11.57262779
  H     15.25327881      8.80775541    -12.18014467
  H     16.65672912      4.59602322     -9.08151386
  O     12.02341500      3.72180939    -13.16934168
  H     15.43910933      9.60480817    -13.48220115
  H     13.18149437      7.23165121    -11.48179724
  O     15.40490931      7.51245066     -8.13497499
  H     14.97269715      7.90892902    -16.11093607
  H     13.14039956      8.69936657    -11.93360973
  O     12.60711649      7.38094693     -8.73871669
  H     16.18857677      8.83659637    -15.97435644
  H     13.98040667      5.94171542    -14.57858060
  O     18.03006518      6.23095620    -12.03020171
  H     11.67237476      5.93269368     -8.97391868
  H     15.12327744      4.90999967    -14.30847346
  O     15.93338803      4.89735879     -8.51913040
  H     10.53832047      4.96681974     -8.55431914
  H     11.31071377      6.83072334    -11.81693221
  O     12.62939281      8.03207477    -11.46447175
  H     18.60507167      7.36293973    -13.41299741
  H     10.74061174      5.63572599    -11.04743769
  O     14.16972237      5.05259979    -14.24710478
  H     18.53025579      7.31900778    -14.95220296
  H     10.22815261      6.67018063    -15.15940831
  O     10.78359727      6.02419731    -11.92898510
  H     18.13729710      6.02147652    -17.19999512
  H     10.69014985      6.64689195    -13.69821665
  O     10.87020060      7.04661699    -14.56101859
  H     17.05106113      6.84061605    -16.46190661
  H     13.89112815      8.19885869    -14.21119639
  O     13.56115048      7.65156822    -14.93651154
  H     17.26052620      5.26274458    -13.41452746
  H     12.60333062      7.55905871    -14.83872755
          69
 Energy    -249.86128267537219     
  O     -3.66597500     -0.43387839      0.90182297
  H     -3.17745503     -0.48575926      0.06971088
  H     -3.72268827     -2.27807501      1.30901117
  O     -0.71111224      2.45184184      2.28674738
  H     -3.01244532     -0.28128804      1.60421213
  H      2.79757137     -1.49949866      2.79573619
  O      2.49196882     -3.35692840     -0.39745077
  H     -1.52802110      2.95319003      2.14923350
  H      1.90757356     -1.43547687      1.55087858
  O     -2.29544454     -0.58459220     -1.59786425
  H     -0.27698098      2.42501360      1.42365399
  H     -0.95170806     -3.76878051     -0.32681797
  O     -3.51039569      1.85260687     -1.85762932
  H      1.59639904     -3.68156547     -0.23536828
  H     -0.55389992     -4.07873932      1.15246582
  O     -5.04633370      1.90310339      0.56612123
  H      2.77433822     -2.95163858      0.43360005
  H     -1.35188752      0.82339090      2.69354115
  O     -1.66040844      3.93286867     -1.18478340
  H     -2.76529822      0.23259987     -1.82363128
  H     -1.34542717     -0.56697601      3.45796325
  O      0.52707781      2.53671915     -0.27399530
  H     -1.35197868     -0.37576710     -1.62165769
  H     -2.77417107     -3.71561462     -2.16462043
  O      2.75823095     -1.33912467     -2.19922238
  H     -2.88296241      2.57593553     -1.73473453
  H     -2.42407827     -2.35829161     -1.51573723
  O      0.42547189      0.01682747     -1.40895760
  H     -4.15041604      1.94273508     -1.14069659
  H     -1.63974456     -4.82295720      3.33535268
  O      0.21206440     -1.18032675      1.00065407
  H     -4.64077351      1.03982023      0.75668034
  H     -2.19664572     -3.74372510      2.38030362
  O     -3.49454093     -3.21675229      1.30968474
  H     -5.96955435      1.82869139      0.79275029
  H      0.89522701      1.98548743      3.15129565
  O      2.80296276     -1.66493437      1.84662378
  H     -0.84146219      3.49618980     -0.89708305
  H      2.30972702      1.94295076      2.56064440
  O     -0.20482876     -3.84731989      0.28094032
  H     -1.39924819      4.71021823     -1.67226171
  H      0.44760579     -1.58812782      4.44352763
  O     -1.70140871     -0.07811428      2.70221070
  H      0.50368609      1.69094971     -0.74416731
  H     -0.63247865     -2.59361194      3.93691926
  O     -2.44410171     -3.31842724     -1.36266914
  H      1.42226359      2.64424195      0.07202774
  H      2.65524055     -0.66898635      5.27689882
  O     -1.38725436     -4.05944166      2.82134286
  H      2.67463186     -2.11688805     -1.61807490
  H      2.05082913      0.08906905      4.07323267
  O      1.78195155      1.63551087      3.30662864
  H      3.20644864     -1.63288932     -2.98750330
  H      3.60198041     -0.27422578     -0.81816920
  O     -0.49831936     -1.78041990      4.43777760
  H      0.37947993     -0.37648031     -0.52100904
  H      3.63956044     -0.48890918      0.70638541
  O      2.20697700     -0.79837534      4.44524979
  H      1.18849144     -0.38574127     -1.83962706
  H     -3.73900205      3.15925067      1.19055547
  O      3.87516028      0.13879659      0.00818136
  H     -0.45936896     -0.84334375      1.60598641
  H     -2.60014817      3.92931625      0.50642928
  O     -2.97305168      3.71757517      1.37150874
  H      0.00144412     -2.09746684      0.77974915
  H      3.40806771      1.69924734      0.54386057
  O      3.07074508      2.54545855      0.89062059
  H     -3.27173646     -3.41059344      0.39128714
  H      3.80387661      3.15485122      0.89415233
          69
 Energy    -249.86109618332830     
  O     13.19648658     13.32822765    -12.91293128
  H     13.65911727     13.29778514    -12.06656746
  H     19.42871872      6.26555886    -13.72569996
  O     18.79896521      6.70941409    -10.60686059
  H     12.78273772     12.45888268    -13.00562246
  H     18.28835832     11.35789600    -16.04748405
  O     17.79892523     10.58687504    -11.92279030
  H     18.22953295      6.03427605    -10.99694821
  H     19.14771270     11.08484506    -14.79715337
  O     12.65024158     10.53965682    -13.16489088
  H     18.20544797      7.39937019    -10.28650478
  H     13.88875309      8.70282488    -15.26323804
  O     15.28361811      7.12449882    -11.94895001
  H     16.98539734     10.61041919    -12.44559052
  H     12.59923197      8.46259318    -16.08250580
  O     13.17449667      8.83641674    -11.10608881
  H     17.94928606     11.49850307    -11.63214920
  H     14.43652626     10.71771376    -13.13221743
  O     17.09316178      4.99301102    -12.15420099
  H     12.67323841      9.89900931    -12.43572705
  H     15.44869280     11.60793156    -13.89240721
  O     15.12950912     13.10742637    -14.87083014
  H     12.58279343     10.05297578    -13.99471064
  H     14.87665753     11.89002472    -16.21935708
  O     17.93465714      8.20411428    -15.62853116
  H     15.79163059      6.30387024    -11.96976746
  H     14.16768970     10.53255621    -16.46974604
  O     16.79319419      8.70141227    -10.19481347
  H     15.32014951      7.48749239    -12.84520443
  H     15.52667994      9.69665844     -9.39434275
  O     17.38614165     10.32629977    -17.38130122
  H     13.58068731      9.31231675    -10.37206419
  H     14.68527356     10.16701935     -8.18680637
  O     18.66491760      5.88683405    -14.17948508
  H     13.78736141      8.12623723    -11.33615347
  H     21.49087017      6.98600070    -12.28302953
  O     18.70367275     11.78609682    -15.28968611
  H     17.61349221      5.25906488    -12.93390344
  H     20.02328186      7.08608081    -11.80298331
  O     13.08672494      9.13095735    -15.60694042
  H     17.03643159      4.04151594    -12.17146088
  H     18.17645469     14.78312809    -14.44925280
  O     15.38413529     10.87260928    -13.26688175
  H     14.42850006     13.35590000    -14.24847904
  H     18.09477714     13.24167228    -14.55912636
  O     14.87007672     11.10782529    -16.78958105
  H     15.93517492     13.58815644    -14.64385563
  H     16.80119279     13.22555114    -11.07060415
  O     14.76235080     10.23815503     -9.13528019
  H     17.78191042      8.82773078    -16.34954830
  H     17.69213536     13.62638068    -12.27264921
  O     20.61455236      7.23742841    -12.56206979
  H     18.50531474      8.66027871    -14.99093397
  H     18.96970685      9.89160051    -13.06066810
  O     17.68027273     14.02444453    -14.15217383
  H     16.26546865      8.15259709    -10.79415377
  H     20.03213232      8.81028470    -13.37956790
  O     17.71600561     13.25834891    -11.38013336
  H     17.23872116      9.36879150    -10.73859291
  H     14.88017405     11.84259118    -10.16429108
  O     19.52127363      9.52898437    -13.77083703
  H     17.54279819     10.47058063    -18.31077395
  H     15.18260581     11.98507238    -11.65923302
  O     15.01650569     12.49907652    -10.85877590
  H     16.46521609     10.59183310    -17.20760643
  H     16.29658024      8.19877118    -14.89070257
  O     15.45842116      8.35590419    -14.43603052
  H     18.38952095      6.54935851    -14.82535897
  H     15.50701023      9.25324582    -14.07577724
          69
 Energy    -249.86109057806752     
  O     -9.24122041      1.15299333      6.51592664
  H     -9.35420115      2.01616618      6.93183688
  H     -4.93394056      0.89659062      0.87373183
  O     -4.39539151      1.42657230      5.88885342
  H     -8.64955845      1.28341426      5.75803546
  H    -10.55280002      0.71131423      5.39678970
  O     -7.04344288     -2.08698399      4.95951998
  H     -4.68050756      1.23120591      6.79016228
  H    -10.69470884     -0.22991736      4.18664492
  O     -6.83150666      3.40565860      8.00014994
  H     -4.77680964      2.28861460      5.67649144
  H    -12.26921883      5.15136612      6.30975107
  O    -13.19282091      2.06170709      5.74938666
  H     -7.16660565     -1.66431873      5.82935704
  H    -11.21878036      5.50679172      5.23992400
  O     -7.62556028      1.51317636      4.30000179
  H     -6.93865898     -3.02079297      5.12274160
  H    -13.02194185      4.68818635      4.27319367
  O     -5.56536149      1.05344611      8.46334411
  H     -6.52267574      3.60201748      7.10477123
  H    -14.15147570      4.43675803      3.24281501
  O     -9.56550448      3.77203320      7.40541793
  H     -7.77865264      3.58953949      7.98890059
  H     -8.84877079      1.25426133      1.24439996
  O    -12.36702209      3.80172768      7.67836696
  H    -12.59313742      1.39490711      5.38859710
  H     -7.44942618      0.63698473      1.48903505
  O     -7.14592166      5.54905930      3.51538987
  H    -13.42708053      2.63400776      5.00936541
  H     -8.70232300     -1.64823550      3.97043379
  O    -10.91063942      2.85233511      3.14123693
  H     -6.84943579      0.93619774      4.30471364
  H     -9.10985973     -0.82287097      2.73846842
  O     -5.64239558      1.12629358      1.46954512
  H     -8.07372652      1.31702848      3.47023791
  H     -8.75373318      5.07486352      4.35681242
  O    -11.11302116      0.52168461      4.62883551
  H     -5.14223618      1.06793749      9.31751815
  H     -9.91748188      4.05119711      4.20443571
  O    -12.15252901      5.61162993      5.46869715
  H     -6.04935506      1.89490773      8.37780729
  H     -7.81645912      3.49728173      1.17930270
  O    -13.38825569      4.03571745      3.64841366
  H     -9.49037413      4.15302084      6.51808218
  H     -6.43056388      2.91405975      1.53755894
  O     -8.38709664      0.54136475      1.70177686
  H    -10.50095437      3.80607468      7.64005475
  H     -8.14188426     -0.17634197      7.14943684
  O     -9.46650891     -1.36301965      3.45734691
  H    -12.94188954      3.75069382      8.43723300
  H     -6.72517625     -0.24563310      7.74255639
  O     -9.55362871      4.73894138      4.77777227
  H    -12.66780693      3.11908069      7.05234065
  H     -4.90283161      0.32299940      4.61371643
  O     -6.94446762      3.72958376      1.52287518
  H     -6.85053825      6.40115490      3.20656506
  H     -5.83375123     -0.89197731      4.22834514
  O     -7.39137116     -0.77170583      7.28439351
  H     -7.03592831      4.92545658      2.77482581
  H    -10.09412388      2.93034668      1.59647672
  O     -5.37133571     -0.11624943      3.88546251
  H    -11.78431235      3.25964701      3.21250986
  H    -10.16712588      3.12121754      0.06076765
  O     -9.57260416      2.90802327      0.77495133
  H    -10.95196218      2.00858919      3.61470353
  H     -6.28247734      4.41518999      4.77230060
  O     -6.09697610      3.62751483      5.29394932
  H     -5.45328000      0.67734233      2.31192885
  H     -6.68736657      2.94468205      4.94157088
          69
 Energy    -249.86086263442718     
  O     13.25484727     12.14423745    -14.94302553
  H     14.04780034     12.64369959    -14.71655926
  H     14.55655524      5.39667088    -16.30737056
  O     14.87906164      6.49097184    -13.52085482
  H     13.51399072     11.55575594    -15.66532636
  H     18.39372183      6.51210364    -13.20033074
  O     17.95539336      9.34114820    -11.52750418
  H     14.49205382      5.88380781    -14.16275652
  H     19.58362703      5.78433248    -13.86161820
  O     18.96714096     10.18294574    -16.30415745
  H     14.21805529      6.73564135    -12.85838238
  H     16.54849298     12.37793223    -15.81985040
  O     12.16048014      7.15325283    -16.11060070
  H     18.67366433      9.46824510    -12.16530006
  H     15.97258676     11.32646121    -16.78355897
  O     15.94199000      9.37903674     -9.51670656
  H     17.64880451      8.43344706    -11.65802583
  H     16.33982551      8.47401364    -15.32054284
  O     13.39592792      7.45120769    -11.40178326
  H     19.63118007     10.52153558    -16.89927565
  H     15.18576665      8.04659000    -14.39014191
  O     16.10582726     10.76543655    -12.99348180
  H     18.20003694     10.77813619    -16.37924615
  H     12.28519560     11.45661920    -13.69232668
  O     15.49984591      6.34829853    -17.41638079
  H     12.62451090      6.33248258    -15.91166729
  H     10.99289068     11.55402207    -12.84752553
  O     15.52169811      6.70180518     -9.59353979
  H     11.94880475      7.56068090    -15.25841706
  H     11.66915974      9.19874700    -13.44427665
  O     17.71766462      7.67997006    -16.20721862
  H     16.72712177      9.52593252    -10.06085375
  H     12.07376770      7.86416551    -12.80039554
  O     13.97177304      4.97105386    -15.65310778
  H     15.20352952      9.78485373     -9.98981196
  H     19.63292041      8.38419419    -13.77577323
  O     19.01594153      6.54684609    -13.94527784
  H     13.96306138      7.06415737    -10.72505780
  H     19.48171488      9.73223033    -14.49760758
  O     16.79270029     11.76970487    -16.52738173
  H     13.57078891      8.40465320    -11.37785516
  H     16.36256614      6.56948967    -12.57916790
  O     15.58025466      8.81123968    -14.82795140
  H     16.80723793     10.37968897    -12.45317688
  H     16.71049911      6.52464176    -11.08262197
  O     11.78843937     11.04178112    -12.96407999
  H     15.91557464     10.12176135    -13.69274652
  H     12.89553193      8.07866958    -19.02379700
  O     11.70313984      8.24749230    -13.60262713
  H     16.30275294      6.79264676    -17.11721719
  H     12.90984388      7.85326171    -17.49207256
  O     19.70625347      9.33785688    -13.64629815
  H     14.92204182      7.02489802    -17.79144118
  H     14.66287914     10.44080953    -11.94365486
  O     17.10132317      6.65199460    -11.95503930
  H     15.67550573      7.65484187     -9.45854792
  H     13.13345403     10.55504509    -11.77665980
  O     13.43666401      8.18069718    -18.24582620
  H     15.51624907      6.29954862     -8.72925887
  H     15.97431325     12.35870540    -13.71744080
  O     13.92878616     10.19930892    -11.36065453
  H     18.17415195      7.20686845    -15.49945137
  H     16.14161474     13.89711002    -13.69876128
  O     15.83408746     13.17143009    -14.23519024
  H     18.20669688      8.50026278    -16.35977922
  H     14.02290047      9.73229882    -17.41434275
  O     14.38223273     10.35027669    -16.76800658
  H     13.87344738      4.06116996    -15.91838467
  H     14.72463671      9.79933450    -16.04678979
          69
 Energy    -249.86084920913788     
  O     -1.50320379      4.69813634      2.44274790
  H     -1.01022777      4.17183134      3.08637786
  H      0.18992529      1.42861559      1.13765645
  O     -2.92962345      5.67829060     -0.90517925
  H     -2.07296378      4.09892101      1.93870620
  H     -0.71968164      2.72261954     -3.24628932
  O      4.50549358      6.76869285      0.70528348
  H     -2.04847236      5.66788150     -1.30873542
  H     -0.14723366      3.92168268     -2.44177163
  O      2.00563698      7.14744803      1.93895639
  H     -2.87505103      6.29959722     -0.16935751
  H      0.72191594      8.16121960     -1.22373791
  O     -0.32679841      5.54278894     -1.78393903
  H      5.27568883      7.30384028      0.53437197
  H      1.05403057      8.70889823     -2.63378712
  O      2.65116086      3.08296141      0.37449686
  H      4.13031414      6.53098334     -0.16114098
  H     -2.72529760      0.91683584     -2.77336026
  O      0.67852104      5.02434110      0.69341215
  H      2.01350735      6.59083199      2.73408513
  H     -2.17947799      0.62993520     -1.36708098
  O     -2.28677337      7.15303925      1.43877172
  H      2.89911881      7.13155453      1.57286927
  H      2.93940559      4.86900149      3.45350519
  O     -0.92279826      1.62967035     -0.35894960
  H      0.04563851      5.36078838     -0.90510330
  H      1.52253615      4.52735071      3.97291326
  O     -2.98038944      3.30950838      0.57279385
  H      0.07746803      6.36541031     -2.08367781
  H     -4.57916018      3.23252398     -2.07095352
  O      0.11035391      8.41037720      0.37759156
  H      1.96003688      3.75080970      0.50693554
  H     -3.85701793      4.59413633     -2.15968958
  O      0.83583895      1.55718987      1.84406489
  H      2.82473047      3.07432282     -0.57215769
  H     -2.99344457      2.92013368     -3.62370573
  O      0.01498773      2.99576024     -2.68336070
  H     -0.04279031      4.83026293      1.30363156
  H     -2.58648681      2.28899824     -4.97583332
  O      1.05624067      7.91521271     -2.10637992
  H      1.17214827      5.76525783      1.07151701
  H      0.14844567      2.57885858      4.75782869
  O     -2.92194782      0.44055742     -1.95749657
  H     -1.98973647      6.34899140      1.89673663
  H      0.42754659      2.50027845      3.23817777
  O      2.15430831      5.24694560      3.88030351
  H     -2.79529767      7.65348678      2.07300209
  H      1.79844909      3.20047002     -2.60494785
  O     -4.15501010      3.84245387     -2.68753682
  H     -0.49568718      2.07671807     -1.10102478
  H      3.23701798      2.96404274     -3.11412538
  O     -2.34715104      2.33169774     -4.05377876
  H     -1.59807713      2.23362063     -0.01912644
  H      4.50258933      5.16637562      1.80100872
  O      0.17465119      3.10245693      3.96151823
  H     -3.73124826      2.77990139      0.27823507
  H      3.82707001      3.80102740      1.64438875
  O      2.72989771      3.42929043     -2.45291182
  H     -2.98581547      4.11410095      0.03363848
  H     -5.72214937      1.31049520     -0.61472610
  O      4.26824619      4.36879866      2.29055746
  H      0.78504506      8.10866625      1.00456721
  H     -4.28907023      1.23441165     -1.19723301
  O     -4.94084484      1.82922817     -0.78378079
  H     -0.72423039      8.05069637      0.69653524
  H      3.07302396      5.28387552     -1.96720737
  O      3.29558971      6.16601941     -1.64935386
  H      1.61090404      1.92837924      1.40136408
  H      2.55904043      6.74716373     -1.87383898
          69
 Ord_Energy   -249.860718    
 O   -1.47595322      -4.54662371     -0.526672959    
 H  -0.665291131      -4.65635729      -1.01723695    
 H   -1.61938417      -3.59014916     -0.428954929    
 O   -5.27107382      -9.22194794E-02   4.49976492    
 H   -5.56259060      -8.57984126E-02   5.42275047    
 H   -4.39894772     -0.520669043       4.50334263    
 O   -6.22422981      -5.54092407      0.272489429    
 H   -5.51911020      -5.26501369     -0.339933634    
 H   -6.78423691      -6.14533138     -0.207066357    
 O   -2.94865441      -1.44457197       4.43454123    
 H   -2.03352952      -1.23085856       4.21720409    
 H   -2.93415499      -2.19785237       5.04207373    
 O   -5.79678774     -0.681544363       1.97383892E-02
 H   -5.39042425     -0.106914997      0.678619385    
 H   -6.14818811      -1.44348609      0.501931190    
 O   -2.29131579      -5.24594879       2.10438800    
 H   -1.89339268      -5.14664412       1.23210895    
 H   -1.66727972      -4.90769339       2.76564956    
 O   -6.33025074      -4.31594276       7.49513578    
 H   -7.08535957      -3.75749660       7.27185678    
 H   -5.98984432      -4.63832569       6.64820147    
 O   -4.30115795      -2.68336010       8.26618385    
 H   -5.02803850      -3.30649614       8.08281040    
 H   -4.12602472      -2.73590589       9.20227432    
 O   -4.25729847      -4.61729813      -1.35291767    
 H   -4.36252975      -3.70082879      -1.63775361    
 H   -3.32403207      -4.72780323      -1.13940263    
 O  -0.815262735      -3.99864316       4.04821730    
 H   -1.39461184      -3.96546197       4.82116938    
 H  -0.568570375      -3.08803535       3.85132694    
 O   -4.42218828      -1.82070947      -1.99526834    
 H   -4.96566391      -1.37266743      -1.32113314    
 H   -4.62400055      -1.40957665      -2.83097887    
 O   -4.56453896      0.950118244       2.05074525    
 H   -4.88423967      0.642223716       2.91493559    
 H   -4.74708176       1.88724804       2.01893640    
 O   -3.67155147      -2.82352257       2.08651757    
 H   -3.27021122      -3.70112324       2.15354562    
 H   -3.42994666      -2.33154249       2.88040471    
 O   -2.90768170      -3.67806935       6.00875854    
 H   -3.21102858      -3.34690881       6.86316442    
 H   -3.67345810      -4.11582994       5.60448503    
 O   -4.84463930      -6.19484138       2.71904659    
 H   -5.34053612      -6.06114244       1.90378940    
 H   -3.91640759      -6.03283501       2.49900579    
 O   -2.31843185      -1.95123935     -0.164325640    
 H   -2.83185530      -2.20624232      0.620270371    
 H   -2.95502043      -1.81257319     -0.877476871    
 O   -8.18255043      -2.40449858       6.47124434    
 H   -7.80734062      -2.43966794       5.57425737    
 H   -9.12555885      -2.30599141       6.37019777    
 O   -1.78998160      0.164307982       1.58007157    
 H   -2.68787146      0.464539021       1.76322258    
 H   -1.86422968     -0.461434543      0.846573830    
 O   -5.25742340      -4.63757181       4.92507029    
 H   -5.16459942      -5.25760746       4.18709230    
 H   -5.76886845      -3.88314867       4.60818386    
 O   -6.00237131     -0.622221589       7.09596443    
 H   -5.35865974      -1.20549512       7.51568937    
 H   -6.81526470      -1.13841915       7.02956581    
 O   -6.82799387      -2.40055060       4.08593416    
 H   -6.83402348      -2.62221193       3.14510918    
 H   -6.31513262      -1.58643484       4.18269587    
 O  -0.359619826      -1.12998390       3.49761415    
 H   0.414514363     -0.634864271       3.75279713    
 H  -0.783238649     -0.632069290       2.77546501    
 O   -6.34120131      -3.00468040       1.45919228    
 H   -6.47323513      -3.86752868       1.04957068    
 H   -5.39651871      -2.95276928       1.68099082    
          69
 Energy    -249.86023708131165     
  O     16.63440812     10.88978957    -13.16118627
  H     17.17107599     10.44871503    -12.49160978
  H     14.37092364      5.51458924    -13.77445687
  O     16.33949048      9.20290649     -7.40132448
  H     16.18506839     11.61057531    -12.70257233
  H     12.70026130     11.47132380    -13.07973679
  O     16.15269235      6.10803620     -9.67895777
  H     17.11544455      8.74877475     -7.75123395
  H     12.10439915     11.86589706    -11.71240550
  O     12.50573158      5.68864131     -9.37704604
  H     16.16366081      9.92765119     -8.01579923
  H     15.35434308      7.91799080    -14.65933188
  O     18.31199810      7.66132600     -8.84868441
  H     15.68025116      5.34771899    -10.03972727
  H     16.02090024      7.09934098    -13.51144758
  O     17.75646094      9.59790591    -10.88626729
  H     15.49553123      6.62603336     -9.19177380
  H     13.84194362      8.21691409     -8.80738615
  O     15.22785845     12.84761948    -11.63636878
  H     13.12478351      5.11724841     -9.84680192
  H     14.92965019      8.05988322     -7.73113935
  O      9.77985588      8.96829563    -11.53692076
  H     13.04329919      6.27817111     -8.83257545
  H     13.59027033      9.95411600    -14.69140859
  O     15.65472378     10.91245487     -9.61413780
  H     19.07460177      7.15157583     -8.58660597
  H     12.98380496      9.31448073    -13.43115560
  O     13.39924243      7.98994719    -12.29202317
  H     17.63447348      7.02221337     -9.12496887
  H     10.85505614      6.12094632    -12.26613575
  O     10.17341535      6.32641675    -10.55687508
  H     17.02928554     10.05310110    -10.43556509
  H     10.96132548      6.88496680    -13.61790581
  O     13.82674709      4.83711972    -13.35032740
  H     18.14636984      9.01690426    -10.22219959
  H      9.86956924      8.76788950    -15.08830039
  O     12.72338991     12.15191542    -12.39544125
  H     15.32030655     13.79523223    -11.68481820
  H     11.20127315      9.10627070    -14.38026256
  O     15.28726159      7.10335228    -14.15072106
  H     14.31524291     12.63944858    -11.90542427
  H     10.48268387     11.46815716     -9.74672696
  O     14.26056197      7.56526499     -8.22478105
  H      9.88435620      8.09330374    -11.14196339
  H     10.53221588     10.32523037    -10.79076616
  O     12.78659666      9.92687400    -14.15738029
  H      9.88224084      8.85603942    -12.48905268
  H     14.27315979      4.38286229    -11.73223806
  O     11.36112891      6.18468071    -13.08732834
  H     14.84332316     10.39812501     -9.73952993
  H     14.54665852      3.20911591    -10.76610870
  O     10.39414398      8.56880660    -14.31685833
  H     15.56194696     11.68873224    -10.17913617
  H     15.85057111     10.15687758    -14.51630581
  O     11.04992925     11.04347429    -10.38445935
  H     12.70428190      7.33275483    -12.41846292
  H     15.81384987     10.01497544    -16.05549809
  O     14.46979758      4.15892633    -10.80540528
  H     14.14961957      7.68856459    -12.82191505
  H     13.37820832      8.92700944    -10.80283940
  O     15.36539911      9.74909496    -15.25733715
  H     11.00233095      6.12169577    -10.08680217
  H     12.54758571     10.00418175    -10.03766281
  O     13.33345392      9.44894070     -9.98755705
  H      9.48710118      5.81932500    -10.13137590
  H     17.31256504      8.06472350    -11.83098795
  O     17.03886194      7.19001258    -12.13364789
  H     12.91920826      5.16766053    -13.37724732
  H     16.70420639      6.74764908    -11.34388537
          69
 Energy    -249.86008821670930     
  O     -2.43520717      0.48377151      2.73812267
  H     -2.83964190      0.63439733      3.60337949
  H     -3.22424511     -3.75591311      4.50540713
  O     -2.89136702      3.67352453      5.24211209
  H     -2.27053021     -0.46419670      2.64634730
  H     -2.66032855     -2.97643989      6.90749453
  O      1.68566659     -1.38699176      2.68466294
  H     -3.32332059      4.49241104      5.46978244
  H     -3.86031059     -2.02036302      6.80610173
  O      3.72071576      0.32964008      3.57566339
  H     -2.39166397      3.83891805      4.42224574
  H     -0.80975988     -0.12878673      6.98655420
  O     -0.00492703     -1.62382244      0.41986084
  H      1.32649086     -1.55510015      1.80699243
  H     -2.16257965     -0.71440450      7.47853483
  O     -1.68530020     -2.17712580      2.55373062
  H      1.21526539     -0.60325492      3.01503806
  H     -1.51431473     -5.10087726      5.99087312
  O     -1.88888756      2.28422616      0.76903679
  H      3.56282297      1.02703393      2.92773233
  H     -1.04465730     -3.77619420      5.35194977
  O     -1.45916012      4.04448328      2.99032892
  H      3.20683855     -0.42386464      3.25687881
  H     -1.09166652      1.93595092      7.29779953
  O      1.15867789      3.35559085      3.46306858
  H     -0.67125197     -1.85711702      1.08737054
  H     -1.43694111      3.17290792      6.45648019
  O      2.90910371      2.21143768      1.57359146
  H     -0.10502748     -2.24811190     -0.29475493
  H     -4.54418627     -0.44578375      5.35663915
  O      0.21327415     -2.70855446      4.63235732
  H     -2.49541112     -2.61856646      2.85055916
  H     -5.93897917     -1.06419020      5.59385771
  O     -3.77941917     -3.31576416      3.84838426
  H     -1.04014355     -2.29957692      3.26194998
  H      0.51762029      1.65204226      3.66185789
  O     -3.11075099     -2.25686507      7.36583287
  H     -2.59891851      2.35100801      0.13531188
  H     -0.70876888      0.73558155      3.39338226
  O     -1.69903589      0.11226142      7.28340503
  H     -2.16644268      1.62992024      1.43414515
  H      2.35407491      2.30033680      6.24824975
  O     -1.81446205     -4.23435916      5.72706974
  H     -1.63467683      3.58633580      2.16182640
  H      0.98280977      2.99743737      6.47970919
  O     -0.75144184      2.79439550      7.01801429
  H     -0.51211165      3.92800154      3.15961236
  H      4.13674477      0.51533262      6.72744233
  O     -5.02515102     -1.28626010      5.43222620
  H      1.87100328      3.11857115      2.85934238
  H      3.51407242      0.52777676      5.31196920
  O      0.19145753      0.74598324      3.73577448
  H      1.49958767      3.36472338      4.37272022
  H      0.47956882      0.24226230      0.27316331
  O      1.84874330      3.09659002      6.05486282
  H      2.14960092      1.82436284      1.10295805
  H     -0.13187799      1.64573808      0.41578753
  O      3.31016514      0.60505529      6.26102621
  H      3.45456257      2.62964108      0.91230061
  H     -2.79146468      0.65201084      5.96952923
  O      0.70676390      1.17799970      0.31637544
  H      0.86582122     -2.50794495      3.94846598
  H     -3.36824405      1.91410778      5.27540096
  O     -3.41151746      0.94874016      5.28567712
  H      0.34742505     -2.02077360      5.30154974
  H      0.49411846      0.04386506      5.34103113
  O      0.73261557     -0.46246786      6.13487424
  H     -4.29117202     -2.65532629      4.33256459
  H      1.63296585     -0.19494828      6.35355449
          69
 Energy    -249.85966131180663     
  O     -3.65999049     -0.40472125      1.41619119
  H     -3.28822143     -0.44663919      0.52403308
  H     -0.10654185     -2.29661688      0.82488434
  O     -0.16917490      2.09767294      2.38752591
  H     -2.92038519     -0.32932262      2.03988549
  H     -3.52021500     -3.35750370      0.56913019
  O     -0.03688083     -1.17418525      5.21460469
  H     -0.90329449      2.72777488      2.33737664
  H     -3.78335204     -2.29801358      1.64200811
  O      2.22734610     -3.54100663     -0.49537799
  H      0.22168122      2.06406948      1.50536449
  H      2.43405621     -0.13918086      2.80806280
  O     -2.72174379     -0.50927120     -1.26903391
  H      0.23802399     -2.00371071      4.78409283
  H      1.74783988     -0.91638606      1.65126098
  O     -3.52482237      2.10200733     -1.31408859
  H     -0.18404706     -1.37545233      6.13459442
  H     -1.27717731     -3.75924463     -0.46593793
  O     -4.68158164      2.15370254      1.30880000
  H      1.30099392     -3.80550018     -0.41874350
  H     -0.81779693     -4.36949401      0.88640019
  O     -1.28564800      3.84489469     -0.85998812
  H      2.57569924     -3.56589688      0.40380685
  H     -1.04419273      0.61991160      2.82896465
  O      0.74854395      2.07132794     -0.30548582
  H     -3.08099504      0.37905361     -1.40963893
  H     -1.10466241     -0.55340690      3.85439629
  O      2.55325772     -1.34443258     -2.08382590
  H     -1.76898500     -0.44959606     -1.43223817
  H     -2.90380559     -2.26226485     -1.32483713
  O      0.00297399     -0.35554376     -1.44616531
  H     -2.78167878      2.71581863     -1.26217013
  H     -3.33641439     -3.56668830     -2.03131118
  O      0.09750982     -1.38259980      1.05797328
  H     -4.02700343      2.22937054     -0.49959775
  H     -1.92672093     -5.52345396      2.88792274
  O     -3.62550801     -3.24243831      1.52200555
  H     -4.40819091      1.22815455      1.42160467
  H     -2.34891080     -4.16110102      2.29094625
  O      2.60936722     -0.70372965      2.04120080
  H     -5.57447003      2.21809816      1.63787776
  H      3.84973827     -3.62539366      2.62945399
  O     -0.50072715     -3.95045009      0.07564574
  H     -0.50479985      3.29224320     -0.69011718
  H      2.98827453     -2.40344277      2.23315276
  O     -1.47352851     -0.22796905      3.02449590
  H     -0.97949762      4.60435340     -1.34971292
  H      1.39357354     -3.51218559      3.32159111
  O     -2.91133986     -3.23187868     -1.24589558
  H      1.69123540      1.85836604     -0.25430426
  H     -0.10777349     -3.89784380      3.43922125
  O     -1.58093929     -4.69951272      2.55369973
  H      0.36136761      1.31751343     -0.77123947
  H      1.15872357      0.22726860      4.60355865
  O      3.00315643     -3.37676714      2.26633429
  H      2.48444867     -2.14082542     -1.52798045
  H      1.11175486      1.42772421      3.63093109
  O      0.61432481     -3.43903444      3.88495848
  H      3.05491708     -1.59433185     -2.85523143
  H      3.10418824      0.14847625     -0.92917719
  O      1.71449446      0.84617381      4.11438255
  H      0.04038167     -0.68998706     -0.53400911
  H      3.16708969      0.35382237      0.58856538
  O      3.20283804      0.82906621     -0.25281877
  H      0.81870042     -0.65599250     -1.86384734
  H     -3.15788399      3.24295962      1.73243619
  O     -2.31582704      3.70638764      1.81640871
  H     -0.49990928     -1.09682604      1.76034381
  H     -2.03023718      3.89732710      0.91365387
          69
 Energy    -249.85843993941546     
  O     -9.68804174      1.31666809      3.16517522
  H     -9.94321984      2.18453415      2.81842622
  H     -5.03811660     -0.94865535      2.29981810
  O     -5.98185641      1.44965866      6.47875716
  H     -9.23122400      0.84103862      2.46118790
  H    -10.47693888      0.95662503      4.72679941
  O     -8.22298368      4.35813883      6.16026697
  H     -5.16371606      1.95084379      6.38810076
  H    -10.29945609      0.13348461      6.02650173
  O    -13.03248319      2.51607065      5.25544059
  H     -6.53009634      1.71822585      5.72351549
  H    -11.99395852      5.54569085      5.67388322
  O     -7.45826877      2.43691440      4.38556591
  H     -7.93716619      3.68091943      5.52555559
  H    -12.37411038      5.44261261      4.18549002
  O     -7.83120450      1.19245316      8.50517096
  H     -8.85246724      3.91364043      6.73840667
  H    -13.02971123      3.41476542      3.77032359
  O    -10.00566795      2.69087281      7.52730376
  H    -12.38368837      1.81028732      5.38342992
  H    -13.80747532      3.98883976      2.56165754
  O    -12.14672646      4.40367368      7.23051282
  H    -12.88884261      3.13836928      5.97846917
  H     -7.21685402      0.04966660      1.62298845
  O     -6.75999828      6.43643536      3.22589773
  H     -8.21788714      1.97544978      4.01095069
  H     -8.20317087     -0.48929583      0.56323155
  O     -4.35389157      1.97978109      3.14590772
  H     -6.99436601      2.88529847      3.66642906
  H    -10.19826967      6.04464811      4.29371972
  O    -10.27360952      3.86125768      2.25759255
  H     -7.12959266      1.31380780      7.84311734
  H     -8.93845660      5.34334883      4.84914047
  O     -5.69493088     -0.29637759      2.53273015
  H     -7.39634323      1.00915132      9.33415179
  H     -6.32827108      4.76020156      2.51780783
  O    -10.82358896      0.84124912      5.62270341
  H     -9.31336047      2.22775737      8.01498209
  H     -6.83741019      3.62469023      1.57391013
  O    -11.91084802      5.99762575      4.82486552
  H    -10.30554695      2.07669787      6.83889714
  H     -8.25956570     -1.02850957      6.16346442
  O    -12.96560355      4.01820070      3.00776598
  H    -11.38178019      3.84270817      7.43944118
  H     -8.64143074     -0.31155224      7.46973206
  O     -8.04956841      0.23861454      1.16107586
  H    -12.53813388      4.65075076      8.06508110
  H     -6.42543592     -0.80976319      4.28673104
  O     -9.28730527      5.80399161      4.07165589
  H     -6.69188671      7.29838599      2.82337130
  H     -6.26782518     -0.27084926      5.71050586
  O     -6.21548544      3.83100757      2.28784388
  H     -7.69410671      6.31410288      3.46792512
  H     -3.05742523      3.47737586      6.07369038
  O     -9.00304940     -0.84979107      6.75764617
  H     -4.87074189      2.68512035      2.72910672
  H     -4.47431805      3.96073092      5.68998108
  O     -6.67335331     -0.98426515      5.20025912
  H     -4.10401978      2.31913773      4.01243689
  H     -8.96426905      3.37991300      0.96999351
  O     -3.89597308      3.17817774      5.73265615
  H    -11.22901888      3.92501549      2.38755309
  H     -8.15721542      2.10993345      0.60686265
  O     -8.16288120      3.07108645      0.52553461
  H     -9.87197966      4.52098402      2.83874577
  H     -6.47692252      5.04433069      6.02260904
  O     -5.62755017      5.28119221      5.62567798
  H     -5.20411322      0.51021478      2.77105733
  H     -5.85280303      5.77507650      4.82932543
          69
 Energy    -249.85777698284249     
  O     -1.62378075     -2.08700257     -1.48424313
  H     -1.86634862     -1.95869506     -2.39710695
  H     -0.44083560     -6.47044611      1.46931287
  O     -2.45282669     -0.51478125      6.80190387
  H     -2.40389995     -2.46397362     -1.03738643
  H     -0.43566516     -2.82710242      2.88351214
  O     -2.35438107     -0.14194190      2.53037983
  H     -3.19728372     -1.10889389      6.96157667
  H     -0.36167769     -4.40063725      2.79429097
  O      1.69347302     -4.15272110      6.09683763
  H     -1.69288670     -1.08634938      6.63225503
  H     -3.55643804     -5.09900012      2.43060741
  O     -4.55671062     -2.44184821      6.84400000
  H     -2.67074775      0.41872706      3.25035820
  H     -2.45242804     -4.12220254      2.87925467
  O     -0.48394458     -2.34592597      5.93499890
  H     -3.03116989     -0.81891790      2.38905480
  H      3.68890975     -5.04983486      3.42911172
  O     -0.49604177     -6.02689169      5.73240033
  H      2.39058407     -4.18870315      6.74816972
  H      2.68117615     -4.05798830      2.81149930
  O     -5.40410067     -0.84485548      4.59133479
  H      2.11583518     -4.26799314      5.23134844
  H     -4.10084640     -2.89637303      2.66413466
  O     -0.63294432     -0.09668512      0.28532760
  H     -5.07855290     -2.85393155      7.52780959
  H     -4.89118515     -1.62022201      3.04173399
  O      0.38630870     -6.02946639      3.13235740
  H     -3.94721783     -3.12160500      6.51071651
  H      2.27312236     -2.16369423      1.41096392
  O     -3.55518006     -5.91886982      0.73379105
  H      0.28019245     -2.90718826      6.10718267
  H      1.69255737     -3.43817691      0.77438938
  O     -0.88075358     -6.40962402      0.61127928
  H     -0.28016309     -1.85890254      5.12178781
  H     -0.82430811     -0.77697464      3.20674665
  O     -0.84502096     -3.61344808      2.50462128
  H      0.22199267     -5.45375969      6.02699859
  H      0.70988814     -0.84741160      2.95956446
  O     -3.32348248     -4.47578620      3.12840082
  H     -1.30993459     -5.52476786      5.86347315
  H      2.28699758      0.42241759      1.34456769
  O      2.84068292     -4.63891278      3.57776444
  H     -5.22107777     -1.40281458      5.35736221
  H      0.93894804     -0.24655987      0.98287492
  O     -4.38900629     -2.03685771      2.32670485
  H     -4.82439711     -0.07890126      4.68212909
  H     -0.33116212     -3.71209505      0.77120790
  O      2.35589926     -3.12496689      1.40388567
  H     -1.30902811     -0.00667871      0.97000320
  H     -0.39429148     -3.27865393     -0.70751844
  O      0.00287910     -1.16399809      3.53314504
  H     -0.97560430     -0.72744580     -0.35936080
  H     -3.38506670      2.03634078      5.15459052
  O      1.76205786     -0.35874934      1.49438095
  H      1.29594714     -5.73093003      3.24286246
  H     -2.94758861      0.60844749      5.55979935
  O      0.08454140     -3.84908224     -0.09534319
  H      0.02435414     -6.17788231      4.01948207
  H     -1.92640540     -3.50056203      5.76054184
  O     -3.31142690      1.14263287      4.83105793
  H     -2.61144978     -6.14887628      0.66523911
  H     -2.94856492     -4.29970250      4.87630800
  O     -2.66181976     -4.13066943      5.78646021
  H     -4.04389233     -6.66076160      0.38810952
  H     -3.69842738     -4.10710607      0.07350521
  O     -3.70728707     -3.17207425     -0.16228506
  H     -0.48176868     -5.64653504      0.17199149
  H     -4.05785546     -2.69998349      0.60459625
          69
 Energy    -249.85772083443436     
  O     15.60175903     11.52254892     -9.98149002
  H     15.91201948     12.18615949     -9.37101955
  H     16.20156142      9.30063475    -15.88432042
  O     14.88007478      8.17241161    -15.34416748
  H     15.97550403     10.67100209     -9.68474027
  H     19.27587046      8.74475576    -11.06711876
  O     14.15470871      4.48758803    -12.81358697
  H     15.07274828      7.22341908    -15.32634592
  H     19.97517343      8.28229103     -9.76961178
  O     18.28046921      5.71517544    -11.30093203
  H     13.96743602      8.29700330    -15.05386818
  H     15.62116282      8.41638074    -13.68542192
  O     15.63929483     12.17350935    -14.66465929
  H     13.34726643      4.92028688    -12.49660623
  H     16.42372356      9.32965356    -12.71162729
  O     11.77198945      5.74613085    -12.17269037
  H     14.74783914      4.41108402    -12.05840430
  H     13.90849848     11.27179031    -10.59207554
  O     12.37532264      8.56548569    -14.22578598
  H     18.30583838      5.89500435    -12.25065222
  H     12.42676029     11.68363870    -10.45111293
  O     15.00544641      7.30975947    -10.60872307
  H     18.59085121      6.52319885    -10.87494205
  H     13.87305524      4.71648853    -15.74130655
  O     19.27054058      8.79233163    -15.19854955
  H     14.75771712     11.83535081    -14.42364147
  H     13.25031356      4.11042716    -14.50476053
  O     11.04791884      6.19243445    -14.93862832
  H     15.50513916     13.02467252    -15.07231164
  H     13.14484183     11.25041837    -12.86287287
  O     17.96297488      6.65134973    -13.90709586
  H     11.36617857      5.87929875    -13.03768243
  H     12.87323598     10.37486167    -14.10100412
  O     16.92636668      9.94026493    -15.94261513
  H     11.89744968      6.62836287    -11.80052162
  H     16.02485754      4.00426295     -9.89544009
  O     19.15346734      8.22715199    -10.25117208
  H     11.83980992      7.83014130    -14.54837868
  H     16.79809924      4.96107723    -10.83576142
  O     16.09690327      8.43176319    -12.84412387
  H     12.46992402      8.44158239    -13.27003318
  H     15.15823617      5.20648853    -14.20312716
  O     13.02071539     11.13319279    -10.95709556
  H     15.23629952      6.37718133    -10.53176440
  H     16.51420938      5.75714871    -14.71855179
  O     13.03578013      4.37065911    -15.41165484
  H     15.42248764      7.64763308    -11.41908255
  H     19.45023500      9.40954209    -13.40313529
  O     13.26025263     11.21382100    -13.81965417
  H     19.89850084      8.87439141    -15.91096979
  H     18.62033457     10.32599629    -12.48254780
  O     15.90973013      4.63974352    -10.59657732
  H     18.45164247      9.22811487    -15.49696154
  H     12.63958076      9.28034228    -11.19504261
  O     15.61209217      5.54506402    -14.98974038
  H     11.72570315      5.54193991    -15.19211104
  H     13.41238067      7.94798818    -11.08060587
  O     19.37988108      9.72715458    -12.49531662
  H     10.25110920      5.95150496    -15.40362218
  H     16.02555801      8.46399948     -9.61423727
  O     12.60200389      8.34775306    -11.43257037
  H     17.35473651      7.25341251    -13.44986836
  H     17.51651014      8.85841300     -9.56575379
  O     16.63365959      9.15188384     -9.30964243
  H     18.53550310      7.22460749    -14.42960669
  H     16.49444398     11.35662127    -11.64226497
  O     16.95089362     11.09810477    -12.45091524
  H     16.56142512     10.76697848    -15.60953662
  H     16.53884718     11.56397946    -13.19051717
          69
 Ord_Energy   -249.857635    
 O   0.779746950       8.45161915       3.56151462    
 H   -6.56055436E-02   8.88720608       3.74174809    
 H    1.02359903       8.75294876       2.67912412    
 O   -4.05745316       8.70800591       5.05753756    
 H   -3.22800040       8.86589432       4.57935619    
 H   -4.43536091       9.58369446       5.19526052    
 O   -2.02441549       7.08262968       1.68694198    
 H   -1.47264898       7.23661518      0.907060802    
 H   -1.46910834       6.68855429       2.37711811    
 O   -5.05036974       11.3823538       4.76364136    
 H   -5.52482796       12.0064850       5.30624342    
 H   -5.68116808       11.0504398       4.09948158    
 O   -5.05760717       4.88547611       3.75266981    
 H   -5.74571419       4.37996960       4.17844343    
 H   -5.42968702       5.76384401       3.56859756    
 O   -4.51463890       7.79235125      0.756250858    
 H   -3.63116097       7.58114386       1.09013331    
 H   -4.58979082       7.37492132     -0.110943757    
 O   -1.88290036       9.27502918       3.49895048    
 H   -2.24205422       10.1089172       3.16685987    
 H   -1.94359481       8.62641811       2.78666806    
 O   -3.22438049       4.46187925       1.64716411    
 H   -3.89995694       4.46107054       2.33512759    
 H   -2.85012555       5.35340309       1.64963496    
 O   -4.74441195       10.5535975      0.636495769    
 H   -4.66608715       9.58822250      0.638519406    
 H   -4.23558187       10.8621244     -0.123636447    
 O   -2.38201141       8.63430119      -2.08473134    
 H   -1.63755763       8.24741173      -1.60388851    
 H   -3.07539320       7.96456289      -2.09199262    
 O   -3.11869717       11.5926790       2.65324283    
 H   -3.67401862       11.7003527       3.43462229    
 H   -3.70588946       11.2767143       1.94980943    
 O   -5.78805542       7.49560547       3.20608258    
 H   -5.39563608       7.57787752       2.32406378    
 H   -5.18571234       7.91444826       3.83999395    
 O  -0.478202015       6.00208426       3.69381380    
 H    8.24930221E-02   6.78563452       3.78605580    
 H   -1.19640875       6.03812170       4.34330988    
 O   0.193525955       4.80344105     -0.614127100    
 H   0.839584589       4.23481846      -1.02420235    
 H    4.76779602E-02   4.45900726      0.285694629    
 O   -6.58190536       10.2772541       2.80055213    
 H   -6.11713362       10.4577608       1.97251344    
 H   -6.56171799       9.32022095       2.91763759    
 O   -2.82374907       6.11669111       5.16228056    
 H   -3.51914597       5.57466602       4.77259398    
 H   -3.24128532       6.96436691       5.35667753    
 O   -2.68142319       4.61534834      -1.08185124    
 H   -2.95955873       4.38684654     -0.183339953    
 H   -1.71890461       4.64486027      -1.06372547    
 O  -0.436718196       3.92775798       1.86559498    
 H   -1.39498186       3.81396890       1.85439813    
 H  -0.270765275       4.55430889       2.58496547    
 O    1.06611097       9.49403095      0.856493115    
 H   0.340840787       10.1443176      0.839916468    
 H    1.86269259       9.97210693      0.639113843    
 O  -0.388725162       7.52107716     -0.475007325    
 H   0.260576099       8.11171722      -7.01073185E-02
 H   -1.79215092E-02   6.63320208     -0.566603422    
 O   -1.01500428       11.2585602      0.730007291    
 H   -1.57707000       11.5559130       1.45461118    
 H   -1.58064783       11.2733355      -5.21754809E-02
 O   -4.35845852       6.60644054      -1.78140008    
 H   -3.75791979       5.86167288      -1.59655309    
 H   -5.00216150       6.29257345      -2.41058135    
 O   -2.90850353       11.1769266      -1.40595770    
 H   -2.72245884       10.2684135      -1.70718718    
 H   -2.92395186       11.7293072      -2.18261766    
          69
 Energy    -249.85738702391470     
  O     11.64735428     10.35313965    -15.83085171
  H     11.19169659      9.89804228    -15.11225362
  H     18.80824600      8.15399503    -14.55424246
  O     15.58965223      6.25551058    -13.38245766
  H     12.06327757     11.13656917    -15.45171098
  H     15.16573664      7.86719363    -14.17537099
  O     16.54985698     10.31946369    -11.43280386
  H     16.24964578      6.66746742    -12.80710795
  H     14.62277416      8.78249704    -15.33926232
  O     13.50639594      6.17607050    -16.81456436
  H     14.76558142      6.20251101    -12.87953962
  H      9.52873749      8.55953379    -13.75583384
  O     13.21451707      8.78278771     -9.15542683
  H     15.74377488     10.57256905    -11.90589885
  H     10.89671403      7.93007573    -14.11602402
  O     13.20879346      6.43115344    -12.02027686
  H     16.31817703     10.25593431    -10.49795894
  H     16.85569286      7.14704052    -10.15751651
  O     14.29614661     10.77770238    -12.94963091
  H     13.27727685      5.53401296    -17.48177081
  H     16.27441660      7.99109404     -9.01262028
  O     17.85663291     11.22760793    -16.09746562
  H     14.44807237      6.04053871    -16.60964305
  H     12.40527633      6.35342559    -15.24812375
  O     13.90849080      5.98838771     -9.34327143
  H     12.81982693      8.97213747    -10.01792558
  H     12.30634912      6.27872972    -13.69599829
  O     17.58725985      8.43830379    -15.83683765
  H     13.30996446      7.82373352     -9.11356770
  H     18.93539727     10.02104643    -13.46273730
  O     16.12093070      5.93513410    -16.08814629
  H     13.37914507      6.13825122    -11.11641211
  H     17.84434631     10.80942993    -12.71693532
  O     19.39817987      8.13994964    -13.78132839
  H     12.96594482      7.36656879    -11.95828284
  H     18.19375183      7.74646655    -12.41455371
  O     15.16055359      8.76343408    -14.53430545
  H     13.95912354     11.48167759    -13.51581206
  H     17.07926204      8.59024945    -11.74634827
  O     10.46177025      8.74806896    -13.81158437
  H     14.63123163     10.08112134    -13.53932618
  H     14.77291487      9.52169814     -8.89910854
  O     16.39393626      7.08096468     -9.31116891
  H     18.47459321     11.85670532    -16.46077826
  H     15.73070456     10.32777825     -7.98954930
  O     11.82273025      6.51625831    -14.49774224
  H     18.03275950     11.18518447    -15.14065680
  H     14.73350947     10.63186530    -16.95694698
  O     18.46149898     10.86110317    -13.45821802
  H     14.83105807      6.30115570     -9.32219125
  H     16.01495388     11.39819382    -16.52570286
  O     17.40993868      7.68632586    -11.85567951
  H     13.84396199      5.27825326     -8.71073769
  H     11.65007564      9.07584312    -12.41802627
  O     15.69442008      9.82130340     -8.79642954
  H     16.76537446      8.56315633    -15.33666474
  H     13.03298599      9.74289800    -12.17496843
  O     15.07554449     11.50319359    -16.71664574
  H     17.79581472      9.31717334    -16.17588812
  H     13.97300836     12.22691371    -15.58932820
  O     12.39905300      9.10941856    -11.81035907
  H     16.72211701      6.67533214    -16.22649447
  H     13.17219479     13.44148471    -15.05967383
  O     13.32647549     12.51189402    -14.91698489
  H     16.00695100      5.86691501    -15.12776703
  H     13.57879359      8.05392276    -17.03915076
  O     13.75551871      8.99044964    -16.89651660
  H     20.20463426      7.71162214    -14.05592225
  H     12.92937767      9.41158737    -16.60651888
          69
 Energy    -249.85738566756305     
  O     11.20548356      9.85936674    -15.36728005
  H     10.89237298      9.28644869    -14.65675374
  H     18.68834623      8.59292399    -14.98353974
  O     15.89033523      6.16900961    -13.70584686
  H     11.55218349     10.65933225    -14.95453743
  H     14.09141877     10.66288623    -16.74419436
  O     16.50682950     10.15143671    -11.46999636
  H     16.54732065      6.62059903    -13.15742701
  H     15.29894756     11.56362503    -16.36226298
  O     17.18190034     11.61927546    -16.12630957
  H     15.13827531      5.95878182    -13.13572534
  H     14.39720566      8.68834798    -15.30994450
  O     13.48469267      6.08236469    -16.92004835
  H     16.38569556      9.97839172    -10.52817468
  H     15.17611885      7.76513967    -14.29593646
  O     13.66292459      7.97611629     -9.05083740
  H     15.62894877     10.32686758    -11.83904760
  H     10.96651058      7.22061778    -13.83261394
  O     13.66457250      5.89351187    -12.11684149
  H     17.46223992     11.52271348    -15.19873775
  H      9.57327785      7.61885936    -13.28706729
  O     14.06476037     10.41199258    -12.71833640
  H     17.66959486     12.35717495    -16.48309316
  H     16.79831746      7.61444203     -9.27153616
  O     14.69560669      5.33278385     -9.57233364
  H     14.45235733      6.06432663    -16.81799444
  H     17.36150045      6.95886950    -10.54202764
  O     17.31183246      8.80793365    -16.11299655
  H     13.27301323      5.47213395    -17.62198021
  H     12.54162552      5.97193014    -15.24789903
  O     16.17018055      6.15273949    -16.46756141
  H     13.15775908      8.17898921     -9.85032972
  H     12.61806084      5.75526694    -13.70787544
  O     19.35335601      8.59795509    -14.27406707
  H     13.88791007      7.03995717     -9.11113082
  H     17.58231434     10.92398936    -12.81583094
  O     14.33902199     11.55069876    -16.45363282
  H     13.30840473      6.77694435    -11.94216590
  H     18.68280110     10.36198929    -13.73302761
  O     15.01485679      8.67841122    -14.56433509
  H     13.96666197      5.55342569    -11.26545054
  H     18.36264939      7.92640816    -12.84539983
  O     10.46212435      7.94098094    -13.41113655
  H     14.42455433      9.82103793    -13.40139478
  H     17.22354297      8.54620549    -11.99755422
  O     17.00458088      6.75824437     -9.66667193
  H     13.57988717     11.10605101    -13.17975550
  H     16.06234797      9.75803257     -7.98079675
  O     12.02531387      5.98808791    -14.43419880
  H     15.56587562      5.76960408     -9.60725418
  H     15.12854410      8.90337611     -8.87073461
  O     18.10540407     11.12356283    -13.60297505
  H     14.79253512      4.57054226     -9.00829029
  H     11.73742604      8.31595967    -12.10940724
  O     17.65712735      7.71015627    -12.22427686
  H     17.36562146      9.73253704    -16.38332698
  H     13.03815105      9.14871736    -11.93303012
  O     16.00812821      9.32027708     -8.82596836
  H     16.53818246      8.77368998    -15.52857436
  H     13.27607800     12.01557163    -15.16357046
  O     12.53544042      8.40412151    -11.57391182
  H     16.65046769      6.97918575    -16.58908910
  H     12.38256040     13.05686921    -14.44639017
  O     12.67234198     12.14969815    -14.40939700
  H     16.16837176      5.98954257    -15.51187456
  H     13.28463812      7.96378615    -16.96751428
  O     13.35037808      8.90073947    -16.75197936
  H     20.17566446      8.31186010    -14.66290407
  H     12.51123883      9.17566288    -16.34672899
          69
 Energy    -249.85673850613375     
  O     11.87650330      9.13011966    -15.83545680
  H     12.54754161      8.55043235    -16.22577379
  H     16.36321293      5.36278656    -13.90161660
  O     15.75543215      6.49540653    -12.68252344
  H     12.27179830     10.00750517    -15.81548013
  H     18.80735896     10.09477764    -12.00199998
  O     15.68320406     10.53273572    -10.85293369
  H     14.93490845      6.37384503    -12.18608549
  H     19.30620704      8.87524033    -12.79620110
  O     17.40545408     10.39125343    -14.78977343
  H     15.59800473      7.21883640    -13.31069888
  H     14.93350133     11.02108141    -16.62628648
  O     13.94804005      5.04562752    -15.73293425
  H     14.93004448     10.45226265    -10.25003128
  H     16.41534381     10.77093429    -16.28882699
  O     13.51172954      9.75473544     -9.37007480
  H     16.12305116      9.67069650    -10.83814785
  H     16.04523633      9.10255261    -14.64455589
  O     13.46882357      6.47644934    -11.11507224
  H     18.19278043      9.83156991    -14.81374824
  H     14.85632231      8.23492994    -15.20972978
  O     13.97233204     10.49007921    -13.07198493
  H     17.46331178     10.91981625    -13.98452188
  H     11.03398468      8.30627368    -14.57056723
  O     17.92578385      6.95710383    -16.13483325
  H     13.36850352      5.10902832    -14.95799257
  H      9.69171222      7.73948816    -14.05105893
  O     15.00113327      7.32758695     -8.86644230
  H     14.83091717      4.84017892    -15.40741314
  H     16.60820775      7.43922556    -11.40493435
  O     19.51508947      8.55494470    -14.67212685
  H     13.91327580      8.93874181     -9.04583355
  H     17.79930806      8.35294136    -11.01140823
  O     16.63102589      4.86049137    -14.69012871
  H     12.86546302      9.48466776    -10.03548151
  H     12.63673715      5.62847639    -12.64500451
  O     19.11473953      9.18595696    -11.90232140
  H     13.89094649      6.60801805    -10.25849121
  H     11.67984803      6.22121640    -13.68782111
  O     15.77001640     10.73343875    -17.00935764
  H     12.99898888      7.30036197    -11.31409658
  H     16.96536445     11.39365326    -11.72499055
  O     15.29955308      8.53767605    -14.40557844
  H     14.54438561     10.64633921    -12.31103488
  H     17.92421800     12.57133991    -12.01160587
  O     10.61610407      7.82486269    -13.83370986
  H     14.36869947      9.74367617    -13.55092132
  H     16.11235405      9.19858049    -17.77989406
  O     16.94276068      8.02065169    -10.70705531
  H     17.36403068      7.33140942    -16.82351831
  H     16.46793553      8.35781672    -19.02981519
  O     12.29814343      5.49574915    -13.53770545
  H     17.45321682      6.21254255    -15.74335022
  H     11.48427646      8.52508722    -12.35563081
  O     17.69669093     11.68893713    -12.29345489
  H     15.34112611      6.94392699     -8.06198791
  H     12.69215122      9.47333794    -12.21162974
  O     16.29423554      8.29442467    -18.09434392
  H     15.77139745      7.56099864     -9.41148750
  H     13.04253931     12.44348193    -15.51811672
  O     12.13139601      8.85763258    -11.72000354
  H     20.38629887      8.54897917    -15.05998260
  H     13.57873916     11.30250674    -14.62583919
  O     13.40114307     11.55946033    -15.54612658
  H     18.97936600      7.92110443    -15.18316191
  H     13.94771706      6.63584722    -16.42881026
  O     13.99433447      7.57625476    -16.66566565
  H     17.04643810      4.06004742    -14.37861173
  H     14.70320528      7.69937708    -17.30598975
          69
 Energy    -249.85661729709693     
  O     10.58178007      8.17380329    -13.36224150
  H     11.30639246      8.81058426    -13.34902427
  H     13.94757751      5.52488237    -10.20264919
  O     17.48146752      6.92524973    -12.49260940
  H     10.75053481      7.61182407    -14.12842502
  H     16.32577014      5.98187007    -13.53420146
  O     15.18387945      2.99508434    -13.36742003
  H     17.90307248      7.52670179    -13.11964967
  H     15.52465989      4.66701991    -13.88967185
  O     16.42789916      6.70787523     -8.65355785
  H     17.01102875      7.48221362    -11.85641342
  H     12.93276494      5.57773004    -12.32261666
  O     14.96357558     11.47754275    -13.96961635
  H     15.73023613      2.75915718    -12.60586598
  H     14.42936489      5.82502408    -12.62067873
  O     11.80986820      7.25845301     -9.14386643
  H     14.28250785      2.76592991    -13.11758785
  H     10.18995258      7.14857193    -11.98020785
  O     13.97294463      7.55971915    -15.14429861
  H     16.75205798      7.06086309     -7.82877307
  H      9.09876812      6.53238998    -11.07467532
  O     12.54486031      2.35692212    -12.21630144
  H     16.40385524      7.44865074     -9.28350008
  H     19.10349712      9.02180619    -14.85571285
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  H     14.59197138     12.34082816    -14.13105767
  H     13.59336369      7.62195610    -11.38918635
  O     13.97573342      2.66402571     -9.95330330
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  O     13.97447552      5.37389813     -9.24503881
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  H     17.73308264      5.53959324    -11.26393231
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  H     14.56021169      6.86429821    -14.81024168
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  H     12.24665838      1.45243635    -12.26417021
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  H     15.70173927     10.20653767    -15.19996145
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  H     16.40341737     10.97321511    -12.80520068
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  H     11.45799964      5.63435641    -14.55921679
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  H     13.93267083      3.54123790     -9.54972443
  H     11.01907839      5.80696424    -16.03219803
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  H     11.71391668      3.87860177    -12.71454102
  O     11.43204566      4.75478449    -13.01185447
  H     14.78396307      5.79310578     -8.92962067
  H     10.86500618      5.15926144    -12.34085017
          69
 Energy    -249.85557176264939     
  O     -3.43196413     -0.90299758     -0.67348814
  H     -4.04479620     -0.35051905     -1.15287386
  H     -0.83035937     -5.43050309     -2.02828848
  O     -4.13678816     -1.08330036      6.75649607
  H     -3.72619421     -0.90332317      0.25264563
  H     -0.40579750     -6.04283498      0.35050551
  O      0.28761674      0.67100417      1.34938224
  H     -4.45572722     -0.83067571      7.61868651
  H     -0.21308321     -7.44739909      0.96389711
  O     -4.15204455     -1.20476387      1.97036215
  H     -4.18729981     -2.05602597      6.70991001
  H      2.02629462     -0.76996062      3.66805323
  O      1.18762005     -1.53116916      4.99586970
  H     -0.43280311      0.53011535      1.98013115
  H      3.22042589      0.09832085      3.20932332
  O     -4.17062124     -3.76528004      6.35515340
  H      1.08795534      0.38939544      1.80801235
  H     -0.98844044     -1.77094470      2.28484660
  O     -1.58291789     -1.33066920      5.59792953
  H     -4.71863202     -0.98392014      2.72437976
  H     -0.72879744     -2.15045666      0.81823482
  O      1.25594662     -4.37284514      5.41947867
  H     -4.13500288     -2.17043776      1.92835032
  H     -1.40895814     -3.98168602      2.35301067
  O     -5.89557179     -3.92442889      4.07168025
  H      1.28736477     -2.47779499      5.15310665
  H     -1.33045257     -5.52600354      2.29509958
  O     -0.61243383     -0.98329238     -0.64972358
  H      0.29954016     -1.30570889      5.29824719
  H      1.06469507     -2.77344846      1.67710786
  O      1.76509234     -5.25211321      2.90174626
  H     -3.27898318     -4.03097410      6.09251816
  H      2.38444927     -2.03048121      1.92145809
  O     -0.78993092     -5.07911753     -1.14173516
  H     -4.74807572     -3.93881648      5.60128845
  H     -3.45597266     -4.37758525      2.24300124
  O     -0.21212811     -6.51684481      1.17530119
  H     -1.59359551     -2.29493490      5.50967028
  H     -4.13428278     -4.03184100      0.90493408
  O      2.48373344     -0.41287033      2.88527068
  H     -2.39146250     -1.09488398      6.06838126
  H      0.55004645     -2.30321219     -1.12873213
  O     -0.74019882     -2.51085495      1.71423083
  H      1.43993764     -4.72943745      4.53226931
  H      1.60116931     -3.07103851     -0.30199291
  O     -1.79422601     -4.79582883      2.71877521
  H      1.87112748     -4.79198896      6.01556703
  H     -2.60525167     -0.51746942      2.69659529
  O      2.02363456     -2.84374268      1.54915550
  H     -5.38885500     -4.01491577      3.24737500
  H     -1.70905669     -0.55719882      3.97109518
  O     -4.27573751     -4.03002724      1.86252755
  H     -6.69147128     -4.43858283      3.95993006
  H     -3.34649428     -2.85280929     -0.87408443
  O      1.05877588     -3.12745390     -1.09879483
  H     -0.26371942     -0.30701318     -0.04638335
  H     -2.51902943     -4.16441232     -0.85153849
  O     -1.73239713     -0.28878456      3.04289783
  H     -1.55875293     -0.83085655     -0.75246420
  H     -5.84236244     -1.99770871      4.26824802
  O     -3.40422276     -3.80435943     -0.72634942
  H      1.17392966     -5.74579844      2.32433153
  H     -5.13894192     -0.91821069      5.10721365
  O     -5.60585600     -1.06123856      4.27534084
  H      2.01683847     -4.45800206      2.40795387
  H     -1.69093576     -4.41788268      4.46131029
  O     -1.54603859     -4.12906622      5.37403341
  H     -0.09973511     -4.39106681     -1.14953128
  H     -0.60825286     -4.27879878      5.54687275
          69
 Energy    -249.85537736765531     
  O     10.83805959     10.82692490    -12.08050349
  H     11.65824650     11.17309491    -12.45457200
  H     15.36725558      7.38685189    -17.73261665
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  H     10.37367707     10.40076881    -12.81208149
  H     17.67330747      6.23100610    -15.03029698
  O     17.64746331     10.35391758    -11.79167342
  H     14.13141124      6.90643663    -15.92019503
  H     18.56892793      5.67952504    -16.16051233
  O     17.92998683      9.08897288    -16.78219474
  H     14.39986474      7.78747747    -14.67885526
  H     15.38586306     13.39225527    -15.34276821
  O     12.24896799      9.59535428    -15.36482918
  H     16.70448494     10.39567702    -11.57677000
  H     14.91186254     11.98543758    -15.78911715
  O     15.73246621      6.41022330     -9.97811088
  H     17.92553230      9.47518016    -11.50917912
  H     16.26900554      9.22679448    -14.21204542
  O     12.96793068      6.17578765    -12.72377208
  H     18.02847695      8.18628471    -16.45691394
  H     15.37823780      9.00507779    -12.97706811
  O     14.86506500     10.03723463    -11.57202672
  H     17.88261323      9.66883184    -16.00934592
  H     10.86506156      9.66925775    -10.77687581
  O     15.75552777      9.13324712    -18.38864048
  H     12.68277073      8.73007719    -15.33853347
  H     10.33677970      9.19355943     -9.40158066
  O     15.23856165      4.63301283    -11.95221213
  H     11.33872072      9.46481338    -15.07345767
  H     10.43935363      7.66323428    -11.54897524
  O     17.39119763     10.64075816    -14.52915492
  H     16.51243411      6.93696028    -10.18649397
  H     11.17609681      6.71391859    -12.51889386
  O     15.28915916      6.55333242    -17.24995784
  H     14.96892093      7.00355547    -10.00678527
  H     16.46632285      5.62248326    -12.96309783
  O     17.89696354      6.32974592    -15.96920826
  H     13.64572401      5.52409752    -12.51165809
  H     16.54944103      7.08733266    -13.48879773
  O     15.30660223     12.48783528    -15.05133555
  H     13.16265813      6.49856180    -13.61640475
  H     17.90327541      7.09200636    -11.89715382
  O     15.68446540      8.58385809    -13.79094064
  H     14.26313565     10.55132586    -12.12858445
  H     18.99826680      7.25152919    -10.82122769
  O     10.87048194      8.92740366    -10.14501538
  H     14.34300344      9.36067372    -11.12094818
  H     14.63575410     10.32060326    -17.46553397
  O     10.35200060      7.20201721    -12.39231822
  H     16.56909840      9.17179955    -17.85324664
  H     13.40340586     10.49033903    -16.53543434
  O     17.06810311      6.28025285    -13.33334689
  H     16.01336306      9.29598719    -19.29243967
  H     13.25720491      7.34328923    -11.33083201
  O     18.14391221      7.57982445    -11.09399923
  H     15.41485070      5.19041524    -11.17143784
  H     12.57386664      8.24445286    -10.27049367
  O     14.14652585     10.96115948    -16.93514406
  H     15.24942774      3.72693294    -11.65578175
  H     13.94078778     11.87197504    -13.87895900
  O     13.42964298      7.90589260    -10.56196567
  H     17.61073094     10.63150335    -13.58480677
  H     12.93674375     10.71632334    -14.08502217
  O     13.27386633     11.34196993    -13.42656213
  H     16.75472889     11.35194786    -14.67686416
  H      8.86460131      9.06817858    -14.49641970
  O      9.75046744      9.17361062    -14.16048314
  H     16.16429248      6.38413555    -16.88178359
  H      9.92557663      8.41000563    -13.58147249
          69
 Energy    -249.85474156894122     
  O     13.16944956      3.91498795    -15.62123471
  H     13.87125526      3.46454253    -16.12735785
  H     20.65307647      2.86807537    -16.18354457
  O     18.46673593      5.56123671    -12.13157547
  H     12.35495719      3.45573718    -15.80664722
  H     17.69422939      6.73683316    -16.67814056
  O     18.91515341      4.56314106    -18.21701678
  H     17.90558252      4.79368309    -12.31047519
  H     18.94676292      7.59290439    -16.95391436
  O     16.32210628      4.02629013    -19.31295283
  H     17.98546686      6.33745119    -12.45625822
  H     15.76330300      6.05680604    -15.79866460
  O     14.74826283      6.59352629     -9.63225104
  H     18.77092153      5.50132657    -18.03197423
  H     16.85098956      4.99821948    -15.39782930
  O     14.20803710      4.44026833    -13.03568425
  H     18.10014801      4.25210600    -18.62787351
  H     13.51256276      7.86402215    -13.72771654
  O     16.99297382      7.58648861    -13.30195506
  H     16.14768425      3.83163781    -20.23005083
  H     12.62471405      8.94623297    -14.36532942
  O     17.29817555      3.21016244    -15.20313271
  H     16.07813709      4.95916650    -19.17476204
  H     15.37507669      3.06224168     -9.92224035
  O     13.88693287      3.93194137    -10.27528209
  H     15.65678851      6.24359316     -9.59177031
  H     16.22988845      1.94676878     -9.27123689
  O     20.28814315      8.14221686    -15.71883038
  H     14.62183247      7.11833038     -8.84644405
  H     13.67545192      5.59433153    -16.25233536
  O     15.21478638      2.84163988    -16.98093949
  H     14.25244731      5.39820057    -12.90938630
  H     13.73309922      7.10020572    -15.87439764
  O     19.96507349      3.49534656    -15.97923864
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  H     19.73148839      5.68698480    -13.53527695
  O     18.20787567      7.15365743    -17.38859929
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  H     20.18305696      5.00370081    -14.85347429
  O     16.65787736      5.94197485    -15.44950936
  H     16.90070334      7.01603459    -14.08192446
  H     16.67337181      3.00330785    -11.64834136
  O     13.10714617      8.14769200    -14.56243112
  H     17.18427864      3.12200148    -14.24657108
  H     15.84541552      3.74733122    -12.72783402
  O     16.28120021      2.71502738     -9.83271553
  H     18.24268100      3.19890494    -15.40043333
  H     17.77631550      5.55724553    -10.35155158
  O     14.11750616      6.42815778    -16.45589882
  H     14.02312735      4.83497654     -9.96167704
  H     17.02345082      4.48012669     -9.54658483
  O     20.23230478      5.82427744    -14.34904715
  H     13.82548415      4.00047395    -11.23790533
  H     16.57385290      6.99629319    -18.41047471
  O     16.72165654      3.37971411    -12.53454452
  H     21.19844351      8.34138432    -15.91989387
  H     15.10650180      6.65797266    -18.04017260
  O     17.20165966      5.42793931     -9.58618600
  H     20.29132169      7.31555252    -15.20106479
  H     15.37058884      7.38191327    -12.65079649
  O     15.75302902      6.62471063    -18.75860016
  H     15.96820846      2.83802108    -16.37307242
  H     14.48909628      7.05322710    -11.41112539
  O     14.46966110      7.15583280    -12.37010905
  H     15.54931497      3.18322680    -17.81870983
  H     19.09730297      9.23190541    -14.83934992
  O     18.39058105      9.70725772    -14.37644240
  H     19.64425322      3.85203813    -16.82849931
  H     18.09017366     10.38221211    -14.98133814
          69
 Energy    -249.85402850409287     
  O     -6.45358541      5.78016745     -0.37600399
  H     -7.22696033      6.11306388      0.07183535
  H     -4.07593704      2.45155990     -4.84385151
  O     -1.09372024      4.10945704     -6.42371659
  H     -5.74984471      5.71757858      0.29402943
  H     -1.29313999      6.77446964      0.61615363
  O     -1.23957073      6.24102562     -4.55281131
  H     -1.10047732      4.95982113     -5.96409574
  H     -2.27582029      6.02168472     -0.30621535
  O      0.48798439      6.30538647      1.00239887
  H     -1.91557013      3.67128096     -6.16683957
  H      0.25012309      3.17264169     -5.81330802
  O     -5.82192157      3.79975126     -2.22233606
  H     -2.13622876      6.03419857     -4.26309571
  H      1.54110774      2.32540225     -5.93707436
  O      1.06544226      7.05871701     -1.69168668
  H     -1.03705094      7.12268121     -4.21286563
  H     -3.79198630      1.69251212     -0.97568019
  O     -1.20869936      1.65364513     -3.70115992
  H      0.25743878      5.36720516      1.12532024
  H     -4.82627717      2.84795917     -0.92519013
  O     -2.99164197      8.62809013     -1.68573174
  H      1.02463147      6.55646409      1.74951889
  H     -3.20190031      2.49093373      2.67186509
  O      0.90784187      4.80588345     -3.41050013
  H     -6.20469882      4.43022724     -1.59635311
  H     -3.45143097      2.76921600      1.17272009
  O     -0.12402889      3.05662735     -1.52891095
  H     -5.19509276      4.31247622     -2.74853488
  H     -0.17002046      3.32572814      0.33404046
  O     -4.42420019      5.59443470      1.41825607
  H      1.21317557      6.25406825     -2.20454518
  H     -1.19099812      3.51456839      1.48768320
  O     -3.30701800      3.00337042     -5.02598190
  H      0.92371112      6.78941563     -0.77637401
  H     -6.33394079      1.22470678     -4.24871948
  O     -2.19341502      6.79506983      0.27255552
  H     -0.41935031      1.80946257     -4.23351956
  H     -5.77650015      2.31911186     -3.31307233
  O      0.92231219      2.68182666     -5.30565222
  H     -1.92078610      2.14078599     -4.14070037
  H     -4.28706251      6.08373392     -3.34396440
  O     -4.10470225      2.43502664     -0.43617370
  H     -2.71204429      8.09902054     -0.92586381
  H     -3.23239169      5.07243508     -2.77311494
  O     -3.03252600      3.12224167      1.97624369
  H     -2.20691820      8.72108202     -2.23705481
  H     -4.10162692      0.71015906     -2.88248138
  O     -0.29056456      3.71822238      1.20946133
  H      1.11653967      4.10779363     -4.04308704
  H     -2.56461095      0.73576968     -2.73702442
  O     -5.52293086      1.59940837     -3.91311050
  H      0.15700639      5.28882680     -3.78665497
  H     -1.58589842      4.09446792     -1.40775518
  O     -3.74460297      5.30924660     -3.56415547
  H     -0.51310042      2.42862331     -2.15208059
  H     -3.04134824      3.85580145     -0.95918860
  O     -3.38257597      0.54076313     -2.26156316
  H      0.36759812      3.68751705     -2.07404663
  H      0.04300186      8.12172009     -2.61932243
  O     -2.44808607      4.52234435     -1.32799547
  H     -3.68853360      6.15975726      1.14347523
  H     -0.09291114      9.39014504     -3.49576511
  O     -0.55567232      8.60392399     -3.21811921
  H     -4.01370581      4.78817319      1.74915949
  H     -5.68250376      6.96398591     -1.79022550
  O     -5.22459901      7.30323543     -2.56577936
  H     -3.48184033      3.85484023     -4.59814680
  H     -4.51004549      7.87823092     -2.24593616
          69
 Energy    -249.85365439018915     
  O      0.46466890      0.75676864      2.68511729
  H      1.04293084      0.34678229      2.02476649
  H     -2.42523818      4.82870673      0.67026591
  O     -2.43138158     -0.15815703     -3.45549474
  H     -0.44958477      0.57460075      2.42334874
  H     -2.65859273      2.19415923      4.86038691
  O     -0.54572912     -0.55925441      4.91376447
  H     -2.19092764     -1.08981774     -3.37885376
  H     -2.42875597      2.02067819      6.37859158
  O     -4.27508417     -0.17912212     -1.40556488
  H     -1.71410884      0.32921054     -3.02884870
  H      0.56569026      2.49044303      2.00664768
  O     -1.82127498     -2.88030265     -2.68191275
  H     -0.00526636     -0.12516618      4.23795509
  H     -0.32180478      3.61264399      1.41250222
  O      0.11888385     -1.70566331     -0.94395112
  H     -1.14276711      0.12644295      5.23255674
  H     -3.35076417      1.20621739     -0.64225361
  O     -3.35104564      3.16754066      3.57000880
  H     -3.78933601     -0.08458953     -2.23785567
  H     -1.84984533      1.55665754     -0.75109456
  O     -4.04812559     -2.77440861      3.57998684
  H     -3.99383969     -1.02919215     -1.04068214
  H     -2.86083314      0.13829307      2.61585610
  O     -0.46305122      0.93676946     -1.69478801
  H     -1.90232562     -3.70214283     -3.15966258
  H     -2.43614881      0.75403792      1.23370522
  O     -5.75391924      1.81200800      2.74095260
  H     -2.46168532     -2.91809222     -1.95193842
  H     -2.71164618     -2.66406901      0.19492492
  O     -4.12374754     -0.06003872      4.03878231
  H     -0.36019004     -2.17145067     -1.63879283
  H     -4.23504711     -2.89706637      0.08271895
  O     -2.17172801      4.04633217      1.15419203
  H     -0.29354221     -1.97853120     -0.11030200
  H      1.53527554     -0.80750644      0.00286011
  O     -2.42241530      1.54802918      5.55039271
  H     -4.18587371      2.81231745      3.24059107
  H      2.08571302      0.62898652      0.06382831
  O      0.57854146      3.27051490      1.43401155
  H     -2.89736073      3.53602749      2.80261629
  H      2.47852059      2.92668942     -1.09380530
  O     -2.66287579      1.77142831     -0.26836304
  H     -3.12816275     -2.99888685      3.75658066
  H      1.38555730      2.75086288     -0.01098062
  O     -2.16951006      0.15919130      1.94490037
  H     -4.13758549     -1.84231274      3.82922109
  H     -0.98628730     -2.17178559      4.38068036
  O     -3.44184209     -2.72321172     -0.43913295
  H     -0.24896806      0.03718949     -1.40896483
  H     -0.73982742     -3.68679636      4.54639284
  O      2.00135249     -0.18558874      0.57480650
  H      0.31866920      1.47554929     -1.52050074
  H     -1.64375691     -1.44032799      1.50685424
  O      1.78206249      2.34479562     -0.80344712
  H     -5.84493015      1.17771585      2.00684136
  H     -1.18943728     -2.75212831      2.17108099
  O     -1.22229453     -3.04855432      4.02792087
  H     -6.62738819      2.15546220      2.91054184
  H     -6.28515809     -3.50564290      1.50044076
  O     -1.33562227     -2.34053286      1.31253275
  H     -4.78767429      0.55330571      3.69933627
  H     -5.02801236     -2.90254912      2.17259523
  O     -5.57251080     -2.88725923      1.36396172
  H     -3.60092716      0.41781409      4.69603918
  H     -5.90615802     -1.01588813      1.06455979
  O     -5.94746469     -0.08141786      0.82907747
  H     -2.40847680      3.28423215      0.59806041
  H     -5.51601035     -0.00982475     -0.03232336
          69
 Energy    -249.85315768357023     
  O     13.82620859     12.64019263    -13.99113883
  H     14.78122835     12.74788970    -14.03551586
  H     12.47840748      7.66468155    -16.44396446
  O     14.53346865      6.91817330    -14.19967114
  H     13.56677804     12.15925581    -14.79126761
  H     17.98405787      5.93370857    -15.42684212
  O     17.75513061      8.23597310    -11.57826602
  H     15.26220107      6.49860583    -13.72759670
  H     18.70546262      4.60255638    -15.10468132
  O     19.37317521      9.26835508    -15.93342035
  H     14.84542762      7.79138310    -14.48568636
  H     18.02175844     10.47868091    -16.11070962
  O     11.22979053      8.98462072    -15.88946804
  H     17.33693173      8.12385953    -10.71241702
  H     17.14057972     11.62519109    -15.51450183
  O     16.02013526      7.97794943     -9.44204155
  H     17.33694458      9.01959611    -11.96160604
  H     15.97783139      9.80723688    -15.42939559
  O     13.10276177      7.38424506    -11.88914807
  H     20.24803029      9.34170574    -16.30633381
  H     14.45822074      9.91312703    -15.21427921
  O     16.20643505     10.34709209    -12.49694687
  H     19.47032410      8.79512034    -15.08811234
  H     12.93275452     12.00930471    -12.64883664
  O     15.30376853      7.71303109    -18.22175559
  H     10.30963920      8.97624543    -16.13929603
  H     11.85584974     12.28613980    -11.57441316
  O     14.79633329      5.57054499    -10.50407198
  H     11.25526865      9.05048590    -14.91752258
  H     11.68234752     10.06060176    -12.78899773
  O     17.58372472      7.10146402    -16.63711116
  H     15.38293522      8.66159505     -9.68715817
  H     11.83908940      8.52969129    -12.68603351
  O     13.20172456      7.05747356    -16.64008211
  H     15.57815710      7.13790045     -9.61393738
  H     19.26313631      6.88311503    -13.96105351
  O     18.29908869      5.36422463    -14.70077093
  H     13.47329666      6.71173480    -11.30646899
  H     19.07182961      7.95689092    -12.87040351
  O     17.19454169     10.96668038    -16.21897547
  H     13.52068948      7.23683191    -12.75174434
  H     17.00065278      6.71901236    -12.24575348
  O     15.25024494      9.45767863    -14.89938593
  H     15.53395163     10.21123571    -11.81602600
  H     17.17720924      5.56748182    -13.27143589
  O     12.41874279     11.60265457    -11.92832839
  H     15.83175726     10.00191725    -13.32219514
  H     15.17432985      9.60639353    -18.20283892
  O     11.41785567      9.22952733    -13.20089591
  H     15.19760398      7.26874889    -19.05954072
  H     15.88791944     10.82505153    -17.58976311
  O     19.55047383      7.76236367    -13.68710809
  H     14.53131840      7.47053039    -17.68058034
  H     13.53974766     10.43308333    -11.00248038
  O     16.59336128      5.90602774    -12.58061165
  H     15.43893660      5.56454979    -11.23366907
  H     13.78070132      8.91322189    -11.13231014
  O     15.09422526     10.56020229    -18.07404133
  H     14.77014883      4.68336872    -10.15463366
  H     16.64345014     11.86649605    -13.30906839
  O     14.14672911      9.72506378    -10.75137354
  H     18.13718664      7.88690790    -16.56290687
  H     17.26229121     13.27401648    -13.47823080
  O     16.75623154     12.60497882    -13.93260626
  H     16.81839506      7.33618755    -17.17520250
  H     12.48133048     10.34381788    -16.16910380
  O     13.22211864     10.95777894    -16.10479377
  H     13.59471234      6.82758392    -15.78642538
  H     13.76658655     10.87565853    -16.90317713
          69
 Energy    -249.85313052059780     
  O     12.64103556     11.43776625    -14.11305736
  H     13.47443500     11.32964634    -14.59382601
  H     14.79455833      6.01153880    -10.98744793
  O     14.86620342      8.62314032    -17.23624532
  H     12.85199696     11.33154711    -13.17638289
  H     13.62912815      9.14881722    -12.66186591
  O     13.64218972      5.88822586    -12.32543839
  H     14.03617362      8.44964280    -16.76061688
  H     14.89254839      8.67090195    -13.41468982
  O     17.53885549      4.55036923    -11.08415603
  H     14.65467650      8.62715527    -18.16647788
  H     15.70106777     10.49593386    -14.77546935
  O     10.62812751      9.77510102    -14.72554346
  H     13.72079867      6.81714201    -12.60088333
  H     15.05290930     10.28990704    -16.14300409
  O     13.79853950      7.96449300     -8.72329065
  H     12.73342570      5.61958273    -12.49842533
  H     10.44513100      4.60700595    -13.21641456
  O     19.43722714      6.56701039    -11.84308661
  H     18.25699141      5.18532463    -11.19887341
  H     11.47078716      5.29537244    -14.14817533
  O     12.69022926      8.13302493    -15.63395169
  H     16.80981393      5.04041780    -10.68177902
  H     10.67214060      7.13294423    -12.76993127
  O     17.21140453      3.46382064    -13.54878194
  H      9.89373419     10.26271920    -15.08708737
  H     10.56026189      8.61453845    -13.21747186
  O     18.74927738      5.75971716    -14.34310651
  H     11.32484315     10.42725231    -14.51853071
  H     15.75890430      4.35740559    -14.27284573
  O     16.59224802      7.07425980    -15.60176922
  H     12.97892862      8.20734524     -9.18167402
  H     14.61665764      5.25594257    -13.73769437
  O     15.42478618      6.23985535    -10.28713237
  H     13.59084958      7.93080210     -7.79198300
  H     13.36729854      5.07401970    -15.40028355
  O     13.98144416      8.42973920    -13.20027457
  H     20.38332594      6.65008034    -11.76238114
  H     12.49665446      6.30134922    -15.73288376
  O     15.07559371     10.89552822    -15.39470767
  H     19.25282241      6.33469623    -12.77112357
  H     10.70604521      9.19640677     -9.58445905
  O     11.03718013      5.35161820    -13.27769667
  H     11.88836904      8.65825601    -15.52818149
  H     11.15548379      8.50472797    -10.88812708
  O     10.59235726      8.03771160    -12.44470406
  H     13.17115245      8.23449019    -14.79774017
  H     16.73790552      8.42668108    -14.37018544
  O     15.07257643      4.97930621    -14.54549746
  H     17.29341468      3.78438034    -12.63233207
  H     16.90441410      8.87550644    -12.88197051
  O     12.45900918      5.34542637    -15.58626628
  H     17.45249458      2.54159485    -13.54101350
  H     14.06693175     10.51006592    -11.01672625
  O     11.47250880      8.84599001    -10.03205869
  H     18.31720778      4.90981589    -14.19195615
  H     12.56714548     10.12392603    -10.97003263
  O     16.58609147      9.15463141    -13.75074132
  H     18.14026140      6.26796192    -14.89425668
  H     16.18446544      9.53305420    -10.37577973
  O     13.23702172     10.54831965    -11.51681634
  H     16.09821344      7.56241830    -16.27147052
  H     14.98635270      9.35702287     -9.42787892
  O     15.44528703     10.00675686     -9.97348988
  H     16.01699002      6.36251051    -15.28439321
  H     18.07809898      7.73385485    -11.36543024
  O     17.23802053      8.18929570    -11.22855541
  H     14.92088432      6.74612834     -9.63984076
  H     16.60682810      7.51462068    -10.94120199
          69
 Energy    -249.85294935840335     
  O     11.92629785      9.92246791    -14.58709162
  H     12.34854579     10.79035727    -14.61778601
  H     15.44533307      5.38493170    -16.02407203
  O     16.53257587      6.58700524    -13.47715645
  H     12.38941693      9.38126735    -15.23967114
  H     19.46393536      7.64578786    -14.99338431
  O     17.43514768     10.26393507    -11.49234369
  H     15.66825328      6.48803450    -13.05866538
  H     20.86721505      7.83646208    -14.37835761
  O     17.94435239     11.83163015    -16.18963625
  H     17.16837351      6.89472747    -12.82025838
  H     16.09053704     12.06215131    -16.47309637
  O     13.46277686      5.66324929    -15.31856516
  H     17.11791190     10.14886690    -10.58819587
  H     14.96497726     11.37915548    -17.28666541
  O     13.83149067      8.55869289     -9.63602449
  H     16.65280238     10.48077489    -12.02299215
  H     16.26174698      8.04336577    -14.51996352
  O     13.88833815      6.33888445    -12.63389110
  H     18.25912392     11.45384761    -15.34896297
  H     16.57608495      8.95840014    -15.74540298
  O     15.27172158     10.69118054    -13.11002110
  H     18.55813643     12.52378311    -16.42189934
  H     17.64893416      7.01214936    -10.32865420
  O     17.37280950      9.37482198    -17.42090850
  H     12.83996522      4.94372563    -15.39188348
  H     16.84938964      7.78513359     -9.27070261
  O     14.56800430      5.78316274     -9.97626733
  H     13.57857026      5.82537393    -14.36814131
  H     18.49573470     10.66539664    -13.05578619
  O     18.59704089      7.09028218    -16.38959151
  H     13.46642712      8.78516200    -10.50217174
  H     19.29486932      9.80353612    -14.05744566
  O     16.40338452      5.39648769    -15.95581498
  H     13.94359261      7.60074792     -9.64420204
  H     19.08335860      7.73115303    -12.60863754
  O     19.94335451      8.02561783    -14.23548106
  H     14.03663817      6.01521794    -11.73605360
  H     18.14232484      8.60178280    -11.73261156
  O     15.14542405     12.09645931    -16.66783179
  H     13.59772039      7.26017659    -12.55397562
  H     15.35683164      9.30675892     -9.20939038
  O     15.99428849      8.84773352    -14.98541360
  H     15.56981483     10.10291500    -13.82248994
  H     16.22061724     10.04614219     -8.16115271
  O     17.01633861      6.89598914     -9.60776918
  H     14.69671531     11.35423005    -13.51010198
  H     14.22027062      9.21690500    -17.65946080
  O     18.89139652     10.67207993    -13.93518289
  H     17.65503172     10.25002268    -17.12285705
  H     14.24443811      9.68856180    -19.13194669
  O     18.47473645      7.70035546    -11.85963532
  H     16.52446377      9.48272595    -17.86870560
  H     13.97080478      9.55250032    -12.47975905
  O     16.26273239      9.59899287     -9.00229897
  H     14.45157206      5.05168459     -9.37594373
  H     12.56506579      9.25218593    -13.01604985
  O     14.69741977      9.77459276    -18.29704391
  H     15.47945952      6.10428547     -9.85178084
  H     13.18891322     13.23455095    -14.46052292
  O     13.19533415      8.99495514    -12.32903967
  H     17.88652412      6.43458760    -16.36872363
  H     14.06003808     12.30857026    -15.34424726
  O     13.50125027     12.33800725    -14.54673553
  H     18.26773297      7.82968620    -16.91684156
  H     13.43786578      7.37888150    -16.06299281
  O     13.60909131      8.31057038    -16.24570696
  H     16.56408385      5.66239123    -15.03691542
  H     14.41448950      8.52769216    -15.74982997
          69
 Energy    -249.85223708544993     
  O     -6.75948016     -3.29701896      5.39384821
  H     -5.97488706     -2.83936824      5.05685670
  H     -6.98610564     -1.70173816     -0.37054812
  O     -9.08246777     -2.60662630      2.48176224
  H     -7.36465150     -2.60182714      5.68053456
  H     -3.12482388      1.13284275      3.16032298
  O     -7.44078362     -4.72731810      3.19255536
  H     -8.63627857     -3.44322184      2.66794940
  H     -4.28120556      0.56172457      2.29997398
  O     -5.01964140      0.62656641      0.62295051
  H     -8.43364847     -1.91148813      2.67437652
  H     -7.70004943     -0.66704333      4.17186410
  O     -7.66254636      1.53023632      6.57352461
  H     -7.44179694     -5.66367035      3.37045975
  H     -6.41458807     -1.07526411      3.42866840
  O     -4.96622718      5.06015150      1.95833778
  H     -7.20556669     -4.28281107      4.02823337
  H     -0.96745375      2.61990303      3.19267072
  O     -9.98694714      0.91822836      0.33462258
  H     -5.20081709     -0.21945788      0.19818113
  H     -2.39398847      3.14284273      3.49461178
  O     -8.45933047     -1.04016001      5.80217531
  H     -5.88953222      0.99086393      0.84856760
  H     -8.66905298      3.16107430      4.02085425
  O     -4.83164611     -1.89935033      3.94924928
  H     -7.50758420      1.92755331      7.42698490
  H     -8.89014407      2.32659222      5.29009513
  O     -3.59274478      3.07254865      0.71034837
  H     -6.87257549      1.71072122      6.03564289
  H    -10.33040867      1.58329673      3.46765940
  O    -10.83576162     -1.53380267      4.32473333
  H     -4.88749057      5.87614903      1.47171973
  H    -10.90409171      0.14540529      3.41368667
  O     -6.02252021     -1.80406790     -0.46289284
  H     -4.50340273      4.37740871      1.44018203
  H     -5.55071953     -2.95329384      0.97548707
  O     -3.92237052      0.59186463      3.19863285
  H    -10.58284634      1.44250912     -0.19262087
  H     -6.01891776     -3.95113988      2.07239066
  O     -7.27610300     -0.65649898      3.30346576
  H    -10.33940995      0.92001113      1.24476127
  H     -9.19230534     -0.74663562     -0.07646615
  O     -1.88381665      2.51351196      2.95371215
  H     -8.30405900     -0.16498496      6.18089089
  H     -8.96513185     -2.05837936      0.69183678
  O     -9.34136576      2.67003835      4.51139056
  H     -9.37135950     -1.09526778      5.49095919
  H     -4.05591675      4.60399465      3.59674245
  O    -10.78104592      0.94584816      2.89359768
  H     -4.80808622     -2.45757041      3.15545266
  H     -4.24243460      3.54788779      4.70209193
  O     -5.26012829     -3.45056286      1.74973457
  H     -4.33267452     -1.09342939      3.76636614
  H     -6.14122028      2.67053922      4.24085172
  O     -8.71273891     -1.58327528     -0.11051228
  H     -2.88848909      2.86389925      1.33689643
  H     -5.07518789      1.54122244      4.34346354
  O     -3.59256509      4.14351186      4.30835380
  H     -4.03689131      2.23631792      0.51858122
  H     -8.31951483      1.30881621      1.00401844
  O     -5.60286390      2.16005038      4.86514210
  H    -10.31298030     -1.99754184      3.64843258
  H     -7.46969532      0.69159608      2.15485685
  O     -7.49320716      1.40060134      1.49228112
  H    -11.61068014     -2.06574784      4.48774010
  H     -7.26602820      2.89010790      2.41421646
  O     -7.11530837      3.61372459      3.04296977
  H     -5.86822949     -2.12960888     -1.34653975
  H     -6.47372987      4.21165985      2.64184430
          69
 Energy    -249.85192204555031     
  O      5.73013548      4.49711909     -2.17227482
  H      6.11840208      4.55498845     -3.05377162
  H      5.35916896      2.74218926      1.86620251
  O      5.41405035      2.28679719      4.84264547
  H      6.40847289      4.80200303     -1.55402476
  H      6.36330582      1.51705086     -3.54713423
  O      7.79685421      5.11909178     -0.38236162
  H      5.65057651      1.87546685      5.67030735
  H      7.79354076      1.13119238     -3.98049976
  O      5.42619065      1.71865679     -1.89679614
  H      6.07554884      2.97985997      4.68809901
  H      9.68097464      5.89995149      2.41396978
  O     10.80516659      2.37886062     -2.52144724
  H      8.33055932      5.81006113      0.03120288
  H     10.35732503      4.69864643      3.11315711
  O      9.59929091      6.89249554      0.78470159
  H      8.15087443      4.25629433     -0.10404371
  H     11.52656290      4.90452191     -0.58150324
  O      7.24783304      0.09987060      1.92278181
  H      4.65824336      1.56036007     -1.33479280
  H     10.83847976      5.57550806     -1.78466791
  O      3.65173495      4.46458687     -0.20924608
  H      5.52701694      2.67910467     -1.95901918
  H      4.93741500      4.62688388      1.05655153
  O      7.27707933      4.11437605      3.86806687
  H     11.27257349      2.52326676     -1.69074757
  H      6.46622587      4.79753902      0.93905320
  O     11.48179089      3.18547411      0.12292802
  H     10.32959650      3.20111146     -2.70158112
  H      8.41351671      1.95858318     -0.10391084
  O     11.41432317      3.04773734      2.96627300
  H     10.29446503      6.57097044      0.18233134
  H      8.76885718      2.50625517      1.30741870
  O      5.03847564      1.87259169      2.14337337
  H      9.66938369      7.84317021      0.81096409
  H      6.86347327      0.86970817     -1.20160581
  O      7.01953839      1.64378498     -4.24471722
  H      6.43142820      0.61261604      1.99368734
  H      8.24359371      0.28100410     -1.61097594
  O      9.64477875      5.34224212      3.19978852
  H      7.42844846      0.03293189      0.97639963
  H      7.01994518      4.56594889     -5.48910570
  O     11.31257684      5.76649237     -0.96667946
  H      4.19010744      4.57230088     -1.00455535
  H      7.16755249      3.34347907     -4.54885044
  O      5.76842202      4.52516172      1.54463995
  H      3.37198033      3.54145677     -0.20057853
  H      8.83060655      4.93260685     -2.00942845
  O      8.75480946      2.72989289      0.36827401
  H      6.69145596      4.35846067      3.13756924
  H      8.70686629      4.70006151     -3.52545568
  O      7.68850336      0.50155078     -0.85319040
  H      8.08518379      4.63760917      3.75791877
  H      9.79455386     -0.43633557     -3.54618023
  O      7.21142486      4.31644420     -4.58925153
  H     11.71743549      3.12735408      1.05546404
  H      9.87266355      0.99384776     -2.95681626
  O      9.34946287      4.79135314     -2.81079130
  H     10.52750924      3.01281485      0.10539871
  H      3.89206200      1.58968022      0.81613634
  O      9.26634341      0.26019782     -3.16614998
  H     10.58026529      2.55462906      3.05635973
  H      2.58999781      1.04348264      0.18470077
  O      3.35770943      1.57930988      0.00329414
  H     11.98270302      2.75182732      3.67312582
  H      8.29291208      2.61778740      3.42076850
  O      8.89548200      1.95359146      3.05974695
  H      5.01709096      1.89696807      3.11088144
  H      8.36963856      1.18771834      2.78260120
          69
 Energy    -249.85147190136558     
  O     12.72951640      7.28899037    -15.81110214
  H     12.84108851      8.19988317    -16.10469105
  H     18.66541690      5.50940817    -15.48546932
  O     17.94895527      7.26339237    -13.04987614
  H     13.47507852      6.79544817    -16.18107580
  H     16.37057057      9.94505647    -17.58334429
  O     16.97016878     11.32462249    -13.71119477
  H     18.50495386      8.04531148    -12.96100937
  H     14.85805894      9.64976223    -17.62909460
  O     17.58772796     10.30880737    -16.26269563
  H     17.34205669      7.45822269    -13.78175084
  H     15.87112665      7.36909197    -15.63721021
  O     15.91405199      3.97420470    -14.97821961
  H     16.10815980     10.88641753    -13.75938433
  H     16.73121055      8.68252784    -15.64968916
  O     15.15717378     10.36884453    -10.03244466
  H     16.98952424     11.76779684    -12.85329801
  H     12.44066492      6.89554722    -14.14845539
  O     16.04028340      6.78991222    -11.16107583
  H     17.40409876     10.83828588    -15.47504629
  H     11.43424760      6.33473843    -13.11810762
  O     14.61445399      9.86310937    -13.95936390
  H     18.50349331     10.00954251    -16.19435001
  H     18.31440031      9.51830047     -9.95976670
  O     19.06783737      6.67921036    -16.81882025
  H     15.96835138      3.02733682    -15.07513940
  H     18.27430295     10.93550058    -10.55445009
  O     16.98149878      8.37228377     -9.14608298
  H     16.82673095      4.29766571    -14.85948412
  H     14.99053166      4.62715424    -13.41194707
  O     20.07579070      9.17276834    -15.66831135
  H     15.73802964      9.73608951     -9.58961686
  H     13.79353429      5.45490788    -12.87877200
  O     18.36141394      5.02848960    -14.70157960
  H     14.53764551      9.83471777    -10.54473549
  H     19.30979146      9.85277656    -12.14600243
  O     15.68598938      9.49254550    -18.09726020
  H     16.77151034      6.95633862    -11.77492552
  H     18.46346445     10.26354582    -13.36345917
  O     16.28211132      8.04357809    -15.08270471
  H     15.54005536      6.05097132    -11.53713096
  H     16.19793601     11.59809269    -10.69307190
  O     12.32641225      6.65874195    -13.21105945
  H     15.16102049      9.15154416    -14.33196501
  H     16.76256195     13.03604365    -10.60414807
  O     18.84728436     10.16762072    -10.43447138
  H     14.26223672      9.51241943    -13.13207492
  H     16.90643623      6.92230390    -19.53035615
  O     14.59147390      4.98373106    -12.60988564
  H     19.40839282      7.51659644    -16.48474443
  H     16.38395979      7.94448877    -18.49347458
  O     19.23950520      9.74605156    -13.10596408
  H     18.36478012      6.88523510    -17.44573085
  H     14.62158536      7.93073397    -11.50000347
  O     16.87915839     12.19916300    -11.04587728
  H     16.65150250      7.72949910     -9.79728595
  H     13.21181364      7.90438111    -12.12803608
  O     16.80770478      7.07320948    -18.59383717
  H     17.09538695      7.89653223     -8.32724254
  H     13.76415142     10.07228998    -15.52558566
  O     13.84931281      8.48331423    -11.69095098
  H     20.99361007      9.38735566    -15.81770772
  H     12.80512877     10.75722994    -16.52507064
  O     13.39275694     10.01244108    -16.42183307
  H     19.90496137      9.32992453    -14.72434524
  H     15.36918224      5.25980400    -16.15760845
  O     15.08131932      6.05188800    -16.63185964
  H     18.36512271      5.67736998    -13.98696797
  H     15.66929858      6.20254140    -17.38258698
          69
 Energy    -249.85132407198444     
  O     11.17036955      9.15984494    -11.66915206
  H     11.08855938      8.50220612    -12.37138115
  H     17.47518702      5.02588998    -10.07914895
  O     17.03907969      9.49114084    -10.54637254
  H     11.70967888      9.87694854    -12.02659471
  H     16.95654918      7.64554697    -10.37281004
  O     15.30248638      5.70962506    -14.62319494
  H     17.57111845     10.09207874    -10.03134667
  H     15.83193114      6.58481075    -10.27285108
  O     16.61351067      2.06782443    -12.86867358
  H     16.11135933      9.75878101    -10.41865474
  H     13.51339975      3.21585615    -14.45971863
  O     17.25132702      9.08905521    -13.38030001
  H     15.05244169      4.80341478    -14.39197866
  H     14.00982662      3.48731538    -13.01075887
  O     14.74864868      9.86688565    -14.15219660
  H     16.16116305      5.88438123    -14.21425073
  H     14.39461631      8.34477026    -13.17737842
  O     14.44258006     10.18996732    -10.23228457
  H     16.29525004      1.99629139    -11.96024469
  H     14.56654904      6.82490071    -13.42882378
  O     11.86267573      3.61501183    -15.31422604
  H     15.84952986      2.36297979    -13.38199303
  H     11.83991689      8.68893131    -10.12940598
  O     15.63901601      2.36709593    -10.18054710
  H     17.25532713      9.29661539    -12.43692665
  H     11.72147832      8.58788681     -8.59009026
  O     13.03391965     11.16206029    -12.50876954
  H     17.47412033      8.15213884    -13.43991099
  H     14.04846637      8.86195677    -17.44098908
  O     18.75744115      3.73139739    -12.76453713
  H     14.47508495      9.53340799    -15.01843147
  H     13.40106568      7.90956186    -16.42827460
  O     17.73100063      4.09320761    -10.09535955
  H     15.68827694      9.67355518    -14.01335567
  H     12.48856386      5.32827739    -15.93712665
  O     16.78152955      6.69750440    -10.41990819
  H     13.98218848     10.61905610    -10.96404965
  H     13.79096503      6.07343664    -15.59916859
  O     14.30041245      3.24521821    -13.90370729
  H     13.78674334      9.62822717     -9.80335882
  H     17.24026914      6.39380979    -12.19740610
  O     14.17303047      7.47338503    -12.82882946
  H     11.52686455      3.85092585    -14.42963693
  H     18.07088602      5.43474144    -13.07833564
  O     12.32938782      8.47207238     -9.31500746
  H     11.23645111      3.00446613    -15.69338268
  H     13.42176869      7.05357192     -9.83059708
  O     13.80251392      8.78645902    -16.52162830
  H     16.37914771      2.99080969    -10.06829378
  H     14.09060138      6.88234331    -11.21358949
  O     12.90384011      6.19801794    -15.97132727
  H     15.67772585      1.76004413     -9.44635573
  H     11.74573040      6.90897965    -14.49735520
  O     17.54626632      6.24479937    -13.10359832
  H     12.85870017     12.05085221    -12.80656219
  H     12.43173183      7.27396963    -13.19327579
  O     14.01607675      6.48229381    -10.33021261
  H     13.64624193     10.76581620    -13.15340056
  H     11.20379908      5.37047786    -12.93642735
  O     11.55458639      7.11557135    -13.57621848
  H     18.02030044      3.10426747    -12.87617762
  H     11.87207792      4.19898931    -12.17155766
  O     11.18559546      4.41115799    -12.81616523
  H     19.54302099      3.29105012    -13.07702804
  H     13.69078571      4.79328360    -10.90382999
  O     13.56017433      3.91764715    -11.29427718
  H     18.22906766      3.97134804    -10.91250283
  H     14.18087199      3.32697660    -10.84859118
          69
 Energy    -249.85122729511406     
  O     -8.20766825     -3.54805790      5.76625888
  H     -7.55818925     -2.89710352      6.08650337
  H     -5.73508369     -1.40712577      0.68124611
  O     -9.46146839     -1.96128926      2.05499566
  H     -8.16844395     -4.28821798      6.36694189
  H     -3.03992270      1.54132574      3.43622189
  O     -7.59724448     -3.79745216      2.97740758
  H     -8.91406574     -1.33392158      2.55296528
  H     -4.36795151      1.48080238      2.64823338
  O     -5.16100894      1.82925844      1.13389115
  H    -10.36025970     -1.85298000      2.38541572
  H     -7.01628625     -0.50429186      3.71205083
  O     -6.81049368      1.01934437      7.39708803
  H     -7.77631698     -3.78480492      3.92495463
  H     -8.32646629      0.06593372      4.33856529
  O     -5.37169514      5.04747966      3.73282556
  H     -8.31989236     -3.30001935      2.56900360
  H     -5.88676242     -1.53041203      5.70371436
  O    -10.06528075      1.54913442      0.20250082
  H     -6.11355124      1.91457686      1.29207645
  H     -6.50510231     -0.83208838      6.92893195
  O    -10.47275292     -1.81987295      5.58591730
  H     -4.81548119      2.72744291      1.02589672
  H    -11.09687258      3.41921372      5.16971191
  O     -5.29113073     -1.07511531      4.05515396
  H     -6.59841982      1.39193170      8.24871455
  H    -10.69249426      2.39000975      4.08671109
  O     -4.26541112      4.42333081      1.26700762
  H     -6.35541444      1.56335209      6.73032083
  H    -10.90312990      1.42204665      1.89905866
  O    -11.88720045     -1.34025266      3.34452901
  H     -6.30910021      4.80419729      3.71349711
  H    -11.50554422      0.46682069      2.96074218
  O     -6.01581755     -0.71241049      0.07474893
  H     -5.02447002      4.55627929      4.48070004
  H     -6.12516842     -3.24368826      2.26495978
  O     -3.96244031      1.31281980      3.51651811
  H     -9.63328176      0.71699970     -0.06902333
  H     -4.77632812     -3.54536383      1.56973122
  O     -7.89648896     -0.16594043      3.50552159
  H    -10.41469620      1.94899386     -0.58851843
  H     -9.05671687     -1.28815032      0.38331792
  O     -6.37642735     -1.69564744      6.52289890
  H     -9.76479207     -2.47370456      5.62950119
  H     -7.80294020     -0.70567407     -0.30485643
  O    -10.36109022      2.90776418      4.84450652
  H    -10.06651168     -0.97363560      5.81979798
  H     -8.41522342      0.79811170      6.50618028
  O    -11.23269381      1.37930520      2.80479275
  H     -5.17485521     -1.70057589      3.32703963
  H     -9.56458564      1.44454250      5.65964219
  O     -5.30776604     -2.83689321      1.92257839
  H     -4.73014428     -0.30890104      3.88424919
  H     -6.44893674      2.88287815      4.90988568
  O     -8.76998158     -0.72308479     -0.34686801
  H     -4.62713568      4.70850033      2.12193236
  H     -5.10775880      2.10673817      4.77778696
  O     -9.14606163      0.60956630      5.90445513
  H     -4.08412996      5.22175660      0.77809287
  H     -7.86891582      1.19552970      2.36009244
  O     -5.71028537      2.51192070      5.41364670
  H    -11.43512404     -1.54622759      4.18370556
  H     -8.55874938      1.94612079      1.18486003
  O     -7.81925784      1.98751859      1.80182358
  H    -12.73724363     -1.77011201      3.37554123
  H     -8.68188446      3.57802036      4.31107576
  O     -7.80641666      3.69963917      3.92790956
  H     -5.58030038      0.09996487      0.35792256
  H     -7.80158107      3.17575942      3.11215077
          69
 Energy    -249.85053092121638     
  O     13.18713904      8.64292935    -15.86440351
  H     13.92779466      8.28815115    -15.34741641
  H     16.84005794      3.68848568    -12.97772930
  O     16.31739528      6.74450564    -12.12957268
  H     13.51894276      9.45180192    -16.27097239
  H     19.46665526      7.20892298    -14.37816350
  O     17.45500032     11.18438259    -12.68649105
  H     17.02781842      7.37954084    -11.96441967
  H     20.87016391      7.76105576    -14.03093783
  O     17.14195900     10.11897880    -17.33248987
  H     15.54922769      7.01559451    -11.60866120
  H     14.33069488     11.68694737    -17.38127390
  O     14.21823057      4.90848619    -14.90465367
  H     16.58865268     11.12551939    -13.11638264
  H     15.45615765     10.69365579    -17.01379497
  O     14.30122305     11.17063777     -9.79041369
  H     17.31321525     11.62822573    -11.84139360
  H     15.75269244      7.56067897    -13.69752828
  O     14.08637449      7.67378566    -10.82044311
  H     17.71462416     10.36171576    -18.05593999
  H     16.07532036      7.78586832    -15.20387316
  O     15.08047029     10.73840129    -13.98618517
  H     17.67825201     10.18312575    -16.52027097
  H     11.93439851      8.64889482    -14.61278826
  O     16.82996008      7.30051346    -16.82432029
  H     15.05212211      4.65189095    -14.49764185
  H     10.47235480      8.62484917    -14.10641748
  O     15.04168611      8.75576372     -8.42079069
  H     13.68407823      5.30580322    -14.20216180
  H     17.41376308     10.44422253     -9.45423847
  O     18.55057998      5.96811748    -15.11679851
  H     13.78849258     10.87096382    -10.55228820
  H     17.90087172      9.10305517    -10.03131526
  O     16.73523786      4.45275243    -13.53894498
  H     14.42135860     10.39494350     -9.22845390
  H     13.15148551      6.55809433    -12.08504315
  O     19.93947880      7.95835253    -13.97186853
  H     14.34631183      7.93098085     -9.92735165
  H     12.17616536      6.95073530    -13.19686820
  O     14.56378766     10.99116805    -16.77160655
  H     13.78306161      8.48035848    -11.26075796
  H     18.32649358     10.69863495    -14.29483680
  O     15.55886442      8.11806615    -14.45903647
  H     14.83971001     11.06035479    -14.86069551
  H     19.12446951      9.47215399    -14.77891972
  O     11.37994538      8.63618206    -13.81358292
  H     15.31551212      9.80213377    -14.11038768
  H     18.95551328      8.37225044    -12.45711389
  O     17.51687810      9.50795415     -9.24271169
  H     15.97541580      6.93626722    -17.10860187
  H     17.97904456      9.52278337    -12.12045634
  O     12.75014063      6.23575605    -12.90080778
  H     16.91096847      8.19686818    -17.16463296
  H     15.88102944     11.87469299    -10.02892282
  O     18.63018230     10.24099997    -15.08875950
  H     15.96297161      8.95729596     -8.66558986
  H     16.89961504     12.98736214     -9.68368309
  O     18.29312966      8.65905365    -11.81595420
  H     15.04773379      8.50705267     -7.50072745
  H     13.80013183     10.34146643    -12.74563018
  O     16.80993255     12.15048822    -10.13139051
  H     18.00524599      6.34525213    -15.82203795
  H     12.43844961      9.61756606    -12.60649483
  O     13.16366878     10.00374404    -12.09979145
  H     17.98816541      5.34762368    -14.63853432
  H     14.25352489      5.75480839    -16.47870135
  O     14.31079187      6.36478248    -17.23348083
  H     16.58728492      5.21415913    -12.95113676
  H     13.71108180      7.08644102    -17.02006008
          69
 Energy    -249.85018149674141     
  O     14.46075874      9.94843920    -16.01871432
  H     13.74548163      9.31974396    -15.88653171
  H     20.91398455      7.26273618    -15.25340117
  O     15.01583919      3.69243279    -16.18872397
  H     14.83519015      9.77413808    -16.89594177
  H     17.28295547      7.80271226    -16.55659068
  O     17.22584817      7.20698706    -11.48267153
  H     14.83396732      3.75696367    -15.24241613
  H     18.79147385      8.06338301    -16.67857536
  O     17.34015530      5.88982534    -18.83725848
  H     14.57140919      4.45622941    -16.58162127
  H     15.44129347      6.64702083    -15.94441308
  O     12.98917775      5.77225430    -10.63316355
  H     17.80068759      7.79910254    -11.99101205
  H     15.83907327      7.41556582    -14.64150617
  O     14.47148080      4.29062019    -13.49405779
  H     17.27261715      6.32874651    -11.88866135
  H     11.45498591      8.16834118    -15.64503236
  O     15.22527102      8.26888372    -13.08364826
  H     17.70113590      6.61848873    -18.31452216
  H     12.48978212      7.46513232    -14.73917279
  O     18.33571308      5.25332051    -15.10367136
  H     17.45110443      5.08756088    -18.31434544
  H     15.98783027      4.64650261     -9.76017977
  O     13.71833549      3.02538138    -11.09234450
  H     13.78808297      6.08359796    -10.19007636
  H     16.66075715      3.96866927    -10.96630167
  O     18.53377915      8.87552080    -13.22143895
  H     13.08725961      4.81450691    -10.70080300
  H     13.35880638      6.75291042    -16.66094811
  O     17.52362623      3.56100383    -17.16444216
  H     13.96228383      5.11157731    -13.49185827
  H     14.22013635      6.43076522    -17.93062551
  O     19.98139154      7.46290723    -15.25857749
  H     14.14075904      3.75682257    -12.76017742
  H     17.68439211      4.74402205    -13.43769641
  O     17.96801723      8.10116304    -17.17573316
  H     15.87968575      7.92325724    -12.46196065
  H     16.21080402      4.57890671    -12.98824747
  O     16.18612853      6.93245229    -15.39926779
  H     15.52396301      9.14490253    -13.35767726
  H     16.16749840      6.83785582    -10.09369411
  O     12.37038201      7.90329570    -15.59930739
  H     18.22324425      4.58575626    -15.79167100
  H     15.68632831      6.98265773     -8.63415399
  O     16.15414936      3.78486948    -10.16339958
  H     17.55220975      5.82616407    -15.16205670
  H     15.80124597      6.45260266    -19.40011140
  O     14.03215071      6.16284529    -17.02159074
  H     13.42858721      2.17226576    -10.78199946
  H     14.71589377      6.64820981    -20.48810166
  O     17.11504465      4.69520610    -12.66047246
  H     14.59372793      3.18923660    -10.69736974
  H     12.82718912      6.43400857    -12.30892149
  O     15.53977548      6.49020202     -9.43819412
  H     19.07180240      8.48532695    -13.92014634
  H     13.76387864      7.34058328    -13.14215758
  O     14.92542635      6.84250937    -19.57902587
  H     17.91325477      9.47658415    -13.65086464
  H     16.35571672     11.48242063    -14.04285095
  O     13.01677713      6.72409154    -13.21260814
  H     16.61004762      3.54736269    -16.82260294
  H     15.70275514     10.38510689    -14.91150430
  O     16.35821389     10.54305071    -14.20678288
  H     17.71235222      2.68240659    -17.48190086
  H     15.39757901      8.58496335    -18.90099005
  O     15.72631391      9.33253631    -18.38859721
  H     19.51146117      6.61495327    -15.18341783
  H     16.60661409      9.07243051    -18.08586914
          69
 Energy    -249.85009438502067     
  O     14.24270148      9.87716644    -10.78086879
  H     13.98138595     10.32860850    -11.59614273
  H     17.78367759      2.99999116    -10.29477052
  O     13.67155227     10.28710606    -16.71745469
  H     15.09355864     10.24374034    -10.51197846
  H     13.04187463      8.71575200    -10.14033196
  O     16.61967675     10.74927120    -13.16683235
  H     13.55190612     11.16925161    -16.34294747
  H     12.17370919      7.59997187    -10.74807780
  O     13.18027944      4.82979425    -12.56051389
  H     13.22915936      9.68045212    -16.11143289
  H     14.72192544     12.79527064    -15.38393013
  O     16.85925060      8.31251596     -8.93823833
  H     16.85292438     10.69771682    -12.23250328
  H     13.46474287     13.69617068    -15.47741219
  O     16.44190453     12.44550490    -15.43382319
  H     15.65274522     10.75032228    -13.21230222
  H     13.60268058      8.08169146    -14.70141946
  O     15.39198757      7.49461650    -11.95313948
  H     13.73968797      4.83417053    -11.77080624
  H     12.28092710      8.12891452    -13.90489964
  O     13.80360265     10.86617938    -13.29232998
  H     13.75381541      4.57884429    -13.29305529
  H     16.49010610     10.20562565    -18.20185187
  O     18.03145672      7.15517437    -12.83670400
  H     16.06579434      7.84305938     -8.66319881
  H     15.38840177     10.18282239    -17.11660082
  O     17.45561430      4.40194630    -13.13954879
  H     17.47712637      7.64856434     -9.28052250
  H     10.68761187      6.73681236    -12.53910518
  O     15.05371430      4.47728476    -14.70606548
  H     16.55063850     11.78144665    -16.12642013
  H     12.14355429      6.22135757    -12.56717006
  O     17.41159427      3.85190689    -10.50388892
  H     16.67967044     12.00295749    -14.60811521
  H     14.09561758      6.75751165     -7.38857098
  O     12.53672356      7.91924614     -9.91528581
  H     15.23057009      6.71140801    -11.41072208
  H     13.68046645      7.21739197     -8.80657086
  O     13.74921849     12.79925331    -15.32702618
  H     15.00976364      8.25455014    -11.50242778
  H     15.77420770      4.67334908    -10.36641250
  O     12.80098600      8.60841412    -14.56174304
  H     13.42079270     10.08977255    -13.72578328
  H     14.79279533      5.61407051     -9.59131936
  O     16.35055502     10.22798389    -17.25885174
  H     13.67442557     11.61423193    -13.88676888
  H     18.25548895      5.55224005    -10.14335731
  O     11.59684029      7.02723437    -12.53250237
  H     18.06632722      7.67645509    -13.64634624
  H     18.59834299      6.74283866    -11.05357207
  O     14.41365059      6.84541141     -8.28305136
  H     17.16470559      7.34141111    -12.44345723
  H     15.92734048      7.71492620    -14.92382273
  O     14.95106605      5.17351402    -10.43632034
  H     16.66790720      4.33942144    -13.69146495
  H     15.14633864      7.25669196    -13.67356609
  O     18.54058917      6.47318303    -10.12769553
  H     17.73249489      5.32853204    -13.15436301
  H     16.96341351      9.77117474     -9.82637933
  O     15.15815922      7.20291532    -14.64404717
  H     14.91693032      4.11407623    -15.57749747
  H     17.35459863     11.26544923     -9.80882679
  O     16.92083937     10.60097420    -10.33743006
  H     15.08136889      5.44465368    -14.80535368
  H     17.17078213      9.26060842    -15.87858435
  O     17.37534882      8.84138048    -15.03385825
  H     17.46287301      3.95407468    -11.47256394
  H     17.17608567      9.50157395    -14.35138408
          69
 Energy    -249.84996298147914     
  O     11.35549009      9.89829961    -11.86333719
  H     10.54250246      9.95489953    -11.36877879
  H     14.61178932     12.55095967    -14.95108025
  O     16.40329419      7.39021950    -14.68097070
  H     11.86268654      9.15685472    -11.48533736
  H     13.92686349      9.39977546    -14.06569553
  O     16.16106746     11.46984479    -15.27716229
  H     16.02990307      7.19269984    -15.54720364
  H     14.95086111      9.82628295    -12.96465221
  O     12.87996635      6.65095918    -15.04483558
  H     15.84987822      8.10608380    -14.32461932
  H     12.88113642      7.01784878    -11.50195085
  O     18.01246191      8.03773119     -8.98544275
  H     16.95535856     11.15780689    -15.73619928
  H     13.68654301      7.93291978    -10.56271844
  O     15.99826458      6.09143268    -12.26592202
  H     15.75471262     10.71969515    -14.81461197
  H     19.70678824      6.88056721    -11.90420778
  O     15.49810721     10.58655198    -11.38047240
  H     13.51843861      6.76754718    -15.75670661
  H     21.18184927      7.03977847    -12.34721457
  O     18.50483360      6.03216080    -10.98681752
  H     12.50246023      7.52781999    -14.88284709
  H     13.13410586      5.89034039    -13.51518141
  O     14.46085088      9.99586134    -17.21071067
  H     18.47729603      8.67555462     -9.55627843
  H     12.76833513      4.71543474    -12.57740157
  O     14.86843326      7.29489202    -17.03042470
  H     18.32031539      8.18732788     -8.09581497
  H     18.18414855     10.13759142    -13.34047460
  O     18.43956757     10.45763635    -16.42721689
  H     15.09298024      5.76098354    -12.32761937
  H     17.43693950     11.45819644    -13.54608669
  O     13.69698864     12.80470527    -14.78023319
  H     16.20611078      6.45904433    -13.13641490
  H     19.38072903      8.22539457    -13.73982086
  O     14.86581293      9.44938621    -13.84906086
  H     16.37384108     10.73794998    -11.75919156
  H     18.00216374      8.14904330    -14.47579359
  O     12.81363346      7.81097354    -10.95676865
  H     15.52703812      9.74087174    -10.91218457
  H     19.79680031      8.98898110    -11.30689450
  O     20.33060766      7.46810599    -12.36819596
  H     18.33455290      6.56559054    -10.20064663
  H     18.90310672     10.24464038    -11.37118462
  O     13.27329266      5.52288489    -12.62343451
  H     17.64876649      5.90045705    -11.41634430
  H     11.45801895     11.86199381    -16.80047513
  O     17.86319888     10.92201472    -12.87089771
  H     15.09621755     10.56517794    -16.76495854
  H     12.63023564     11.93357394    -15.78865554
  O     18.78586639      8.70066515    -14.33189714
  H     13.60011603     10.40215721    -17.04909679
  H     15.72460865      7.39676433    -10.99342646
  O     19.32764338      9.63188328    -10.75970487
  H     14.72237623      8.25288068    -17.12371133
  H     16.31226527      8.03140951     -9.70771545
  O     12.09391911     11.32730759    -16.33457404
  H     14.94971803      6.94630973    -17.91416799
  H     12.54243927     11.40960356    -12.00150568
  O     15.54551807      8.04106512    -10.29363226
  H     19.23424534     10.70222203    -16.89446645
  H     14.03344610     11.67788928    -11.74717156
  O     13.24084444     12.05727399    -12.15008021
  H     18.70423485      9.79984414    -15.76451609
  H     11.74126806      9.52163551    -13.61989981
  O     12.12614487      9.25554452    -14.46517265
  H     13.52846597     12.62766042    -13.84195180
  H     11.98646838      9.96791425    -15.10210303
          69
 Energy    -249.84996046581404     
  O     17.37356723     11.33103477    -14.30111945
  H     17.72953988     10.98235155    -13.47096958
  H     16.95817281      6.33501801    -10.65983560
  O     15.51978009      6.31798795    -11.94048821
  H     16.59266920     11.84036905    -14.06044271
  H     12.90420364      7.85351486     -9.34560433
  O     11.79398965      8.65700161    -13.30276792
  H     15.64063542      6.11603897    -12.87762296
  H     11.87633108      6.95339928     -8.61945092
  O     12.94753381     11.43767840     -9.49745881
  H     15.61060649      7.28138730    -11.86273303
  H     14.55397308     12.10200587    -10.23350062
  O     19.43488474      7.68200308    -12.17374616
  H     12.13746592      7.89381020    -12.81787385
  H     16.10314986     12.00858143    -10.19206967
  O     12.24358033      7.53594440    -15.78905484
  H     11.76726733      8.37579815    -14.22915826
  H     16.48377183      9.41250934    -11.79064322
  O     15.54547662      5.98530315    -14.71622524
  H     12.30132034     10.93324424    -10.02331413
  H     15.08930366      9.39794688    -12.48036753
  O     14.11743596     10.05871916    -13.81263289
  H     12.44414811     11.97144042     -8.88785077
  H     17.51524709     10.12607965    -15.53210133
  O     16.95169217      8.73841451     -8.43701547
  H     18.98476742      7.45162622    -13.00685665
  H     18.10484782      9.72374175    -16.90531089
  O     12.85237911      5.04495859    -14.43656641
  H     20.34214323      7.40399627    -12.26733426
  H     17.36690314      6.59864329    -14.60160165
  O     14.28012529      8.97215808     -9.31393360
  H     12.37390355      6.62951285    -15.48468952
  H     18.02370529      7.90437512    -15.09324411
  O     17.69675880      6.66648209    -10.13414280
  H     13.12281539      7.85472043    -16.03167061
  H     11.31165188      8.95729307    -10.30020475
  O     12.07436868      7.35767187     -9.46018675
  H     14.72011439      5.48749117    -14.72974974
  H     11.27666624      9.52605200    -11.72587903
  O     15.36286495     12.41124847    -10.66015840
  H     15.33925364      6.83886275    -15.12779104
  H     12.42270658      6.53784276    -11.10089066
  O     15.59616617      9.03846563    -11.74035292
  H     13.22122442      9.77026358    -13.59393263
  H     13.73026977      6.28616509    -11.89365077
  O     17.58630581      9.39724111    -16.17519139
  H     14.21311963     11.01040028    -13.68650938
  H     18.17115810     11.63226245     -8.71948891
  O     18.14633968      7.15632353    -14.49510053
  H     15.99082561      8.73742390     -8.52662504
  H     17.42106138     10.30317580     -8.97672091
  O     11.22628096      9.78119756    -10.79518002
  H     17.26660052      7.97893652     -8.94983410
  H     15.82135814      8.76260260    -16.15798387
  O     12.76525951      6.33168040    -11.97841171
  H     12.40191454      4.20390812    -14.44342264
  H     14.67734417      9.05043668    -15.16489893
  O     17.63829359     11.17181649     -9.36202718
  H     12.72137324      5.42265110    -13.55115914
  H     14.73937400     13.55567538    -13.51553497
  O     14.95625525      8.44720028    -15.87112084
  H     14.75518143      8.98641326    -10.16005051
  H     15.15441173     12.60452774    -12.36780568
  O     14.98529407     12.65450446    -13.32596412
  H     13.87175956      9.84199882     -9.22108867
  H     18.14929382     10.52994910    -11.02067513
  O     18.16270614     10.15779059    -11.91169669
  H     18.35858543      6.94708015    -10.77781451
  H     18.70203924      9.35593068    -11.91121324
          69
 Energy    -249.84988119691377     
  O     12.80484244     14.46589935    -10.84523872
  H     12.43080266     13.56667297    -10.85583036
  H     14.87873630     14.40230613    -16.46711517
  O     16.14065250     11.70304012    -17.95763360
  H     12.23363332     14.99009327    -10.28900978
  H     13.50391686     15.19357369    -14.71639636
  O     14.39237777      9.09052930    -11.55085346
  H     15.99345288     12.59072360    -17.58315378
  H     12.54756219     15.35326725    -15.92342712
  O     16.76728241     16.16216039    -12.72865480
  H     16.17890395     11.80420486    -18.90457086
  H     19.21058505     12.27805729    -12.80910550
  O     14.56408736     10.26728356    -16.13607524
  H     14.36011806      9.49638047    -10.67556794
  H     18.32275169     11.40693577    -11.91398017
  O     14.83665357      7.08154390    -13.41461336
  H     13.68275109      9.50896007    -12.06124984
  H     12.58811151     11.42829142    -10.10681066
  O     15.59964150     12.60613036    -13.02746514
  H     17.04116007     15.53162607    -13.41723949
  H     11.90498497     11.29707215    -11.47711534
  O     12.28636902     10.26164243    -12.97380040
  H     17.20909456     16.98615916    -12.91924119
  H     17.56113079     11.03722759    -16.87119469
  O     16.58556081      8.88887406    -14.74968864
  H     15.00972927     10.70124501    -16.87417249
  H     17.74616077      9.95170689    -15.79128160
  O     19.55131920     12.47972098    -14.70196978
  H     15.25621822      9.80981380    -15.63777664
  H     13.39075775      7.78914391    -14.53229571
  O     13.35785261     12.20772711    -14.57497008
  H     14.86813644      6.20564635    -13.03785415
  H     13.25151036      8.96212645    -15.51791203
  O     15.73619665     14.09268139    -16.78121175
  H     14.69412049      7.69710521    -12.67610863
  H     14.65629461     11.53612761     -9.60167196
  O     13.26148648     14.82070266    -15.58386038
  H     14.76984492     12.49907726    -13.51035869
  H     14.43040790     10.64725030     -8.35650644
  O     18.88121262     12.19438112    -11.90669934
  H     15.39868402     12.79798295    -12.10306529
  H     18.08160925     13.62126474    -11.06259398
  O     11.97717907     11.87423511    -10.70485163
  H     12.57565357     11.02985299    -13.48861023
  H     17.37620556     14.98925048    -11.29427371
  O     18.18529394     10.69813722    -16.21827902
  H     12.23076177      9.53583825    -13.61098658
  H     16.09242994      9.79652467    -11.98166556
  O     12.74346268      8.37442990    -14.94348782
  H     16.09899759      8.11266890    -14.45029135
  H     16.47415297     11.11046865    -12.67739035
  O     14.23097888     10.71862519     -9.28618658
  H     16.80173012      9.38115816    -13.94270353
  H     14.87821302     15.90919463    -12.91552015
  O     17.53429667     14.30058402    -10.63930497
  H     20.44598945     12.53484979    -15.02671738
  H     13.55880045     15.30597229    -12.36230132
  O     16.83857702     10.26157594    -12.37921621
  H     19.09883349     11.80967139    -15.24509250
  H     14.44831309     13.70271261    -10.35308234
  O     13.95850839     15.72004526    -13.13671303
  H     13.75624875     11.58770397    -15.20486962
  H     16.01831251     13.54894133    -10.26993504
  O     15.17321900     13.07156578    -10.26862304
  H     13.22604558     13.05623073    -15.01292105
  H     16.74324451     13.58257634    -13.96197205
  O     17.33111505     14.15564386    -14.48118936
  H     16.34362988     14.18868129    -16.03499913
  H     18.16319707     13.67902228    -14.58775175
          69
 Ord_Energy   -249.849625    
 O    2.44029212       5.09713745       5.73134756    
 H    1.71639228       4.60709620       6.13745022    
 H    2.77067661       4.56985998       4.99132252    
 O    3.28790760       1.57186663       5.88947487    
 H    2.61879635       1.05764878       5.42151642    
 H    3.50849533       2.31158495       5.30569410    
 O    3.71953535      0.972187579       2.46571875    
 H    3.83930898      0.829377770       1.53033984    
 H    4.25641966      0.298752427       2.92035770    
 O   0.734289467      -1.09274554       7.86859131    
 H    1.46424758     -0.796268642       8.43493748    
 H   0.135570407      -1.57976782       8.43078041    
 O    7.04213858       2.58794975       7.50447798    
 H    7.56971455       2.14782381       8.18218994    
 H    6.31593084       3.02650881       7.97184515    
 O    4.84399271      -1.48506570       7.80924845    
 H    4.12734985      -1.05930769       8.29693985    
 H    5.25899887     -0.795762897       7.26558208    
 O    4.65562487       5.96007013       7.01800251    
 H    4.68707561       6.91276264       7.02111578    
 H    3.82170963       5.70706701       6.58149004    
 O    6.60751724      -1.02182746       9.98188496    
 H    5.93910456     -0.753512204       10.6244478    
 H    6.11186028      -1.33405566       9.21446991    
 O    1.46014047      0.378841579       4.14100599    
 H    1.51831353     -0.555011570       4.40183163    
 H    2.10635877      0.541448295       3.44551945    
 O    2.87293577     -0.113063879       9.32385063    
 H    2.76037884      0.809396088       9.04864597    
 H    3.35537457      -9.19151977E-02   10.1598434    
 O    4.93750429       3.86501670       8.85588646    
 H    4.10127401       3.39230299       8.73795509    
 H    4.87162590       4.67409563       8.33314610    
 O    4.26963139      -3.02647710       5.60499477    
 H    4.64492035      -3.90123391       5.66764879    
 H    4.48670530      -2.56966472       6.43503523    
 O   0.381436378       3.68483496       7.18083763    
 H  -0.440465361       4.11953449       7.39122725    
 H   0.150297478       2.80718279       6.82609653    
 O    4.52015829      0.145161003       11.5777998    
 H    4.38206911       7.72333369E-02   12.5186539    
 H    4.97820044      0.991549850       11.4221764    
 O    6.14642000       4.18656635       5.29452991    
 H    5.74995852       4.88338757       5.83300924    
 H    6.63351345       3.63223147       5.91544247    
 O  -0.127040222       1.18414521       6.28030825    
 H   0.263803333      0.971232414       5.42110825    
 H    7.48106465E-02  0.434670210       6.85178804    
 O    5.78752375      0.505311847       6.20225143    
 H    6.32030058       1.19705486       6.61262226    
 H    4.89712334      0.872328043       6.08395529    
 O    8.17758846       1.18739510       9.67261887    
 H    7.68455839      0.350998402       9.74504375    
 H    9.06700325       1.00815570       9.96569729    
 O    5.15535975     -0.868239343       3.86903954    
 H    4.83098650      -1.67759538       4.27837038    
 H    5.57532167     -0.378027529       4.59013510    
 O    1.62167931      -2.07299399       5.30946016    
 H    2.49076176      -2.48299384       5.39795351    
 H    1.32896209      -1.84975982       6.20162964    
 O    3.86747551       3.43083668       3.95649505    
 H    4.76223278       3.65453601       4.26049280    
 H    3.91698742       2.69682741       3.33315730    
 O    5.93349791       2.38396740       11.0161800    
 H    6.77828598       2.08690548       10.6566076    
 H    5.57929707       3.01365566       10.3738642    
 O    2.60625076       2.45034456       8.35177135    
 H    2.88336205       2.12727714       7.47766209    
 H    1.80106223       2.95433617       8.18716335    
          69
 Energy    -249.84925972579930     
  O     17.32519284      8.64790093    -14.20153477
  H     17.85831309      9.14629328    -13.56752834
  H     18.80995358      7.84665548     -9.61125779
  O     11.45765118      9.66024018    -10.68427739
  H     17.16212685      9.18863586    -14.98450841
  H     14.32823356      9.06644372    -11.63326157
  O     11.02717714      7.97900660    -12.75174954
  H     10.72416828      9.66721451    -10.07532746
  H     13.24060540      9.16074472    -10.53389247
  O     16.52225088      6.08606927    -13.60644480
  H     11.24103004      9.01457263    -11.38232773
  H     20.96444799      7.45513543    -11.02788981
  O     18.58721990      9.87359395    -12.06044100
  H     11.54838269      7.17652135    -12.87252711
  H     19.57209059      6.89870028    -11.40758199
  O     16.61029221     10.01156562    -10.10322150
  H     11.08656961      8.48580646    -13.57140915
  H     14.65060655     11.21895194    -13.00931922
  O     12.66104815      5.65520900    -12.96711551
  H     15.93152528      6.20685167    -12.84981190
  H     13.47297158     12.18815127    -12.87240601
  O     16.37476821     10.21167928    -16.35523771
  H     16.86216174      6.96145213    -13.84853863
  H     18.02223127      5.33303956    -10.99561854
  O     14.22274167      6.36480993    -15.25905637
  H     19.19600133      9.17873636    -11.77824112
  H     17.97124065      5.58610325    -12.51161061
  O     13.82766356      8.99486319    -15.84168501
  H     17.87553927      9.90703727    -11.40304435
  H     14.31134075      9.25428397    -14.06572353
  O     11.34167686      9.72564495    -14.97735348
  H     16.51406881     10.96551756    -10.24449653
  H     15.72073088      9.14079037    -13.46657977
  O     18.02561317      7.84147584     -9.05045001
  H     15.73206347      9.62152516    -10.20272523
  H     18.69290520     11.58732638    -12.58548414
  O     14.13988311      8.85645938    -10.70309096
  H     12.33889944      4.77142906    -12.80509212
  H     19.44400554     12.92590227    -12.76556100
  O     20.04687517      7.69805471    -11.11609357
  H     13.39663521      5.80072617    -12.34895177
  H     17.25479803     12.51798685    -14.21064514
  O     14.43748005     12.15903908    -12.92297900
  H     16.74766779     10.40399716    -17.21137909
  H     15.71364470     12.47775307    -14.22089724
  O     18.57847700      5.51120840    -11.76372342
  H     16.39923312     11.04136888    -15.84321370
  H     14.54977880      7.14054531    -11.03123775
  O     14.81760397      9.41106693    -13.26004284
  H     15.08318127      6.16494889    -14.86865627
  H     15.41343921      5.89930495    -10.67665687
  O     18.58842125     12.51414342    -12.85773759
  H     13.57976894      6.07795647    -14.59929832
  H     17.14605483     12.77577117    -11.52005524
  O     16.49258750     12.39255703    -14.78850535
  H     13.97564450      8.03817826    -15.75684097
  H     15.62411153     12.57135643    -11.55198220
  O     14.79700430      6.25295678    -11.32980829
  H     14.64936304      9.40367849    -16.13755988
  H     11.61892974     11.06659095    -12.02545438
  O     16.38540872     12.60273291    -10.95476589
  H     12.19893979      9.50612641    -15.37856259
  H     11.55476400     11.05420035    -13.56256454
  O     11.73860992     11.62241716    -12.80498852
  H     10.73769279      9.88961105    -15.69771790
  H     17.19170224      6.33229069     -9.27615156
  O     16.78660036      5.47884382     -9.51616374
  H     17.53631372      8.64661194     -9.26992175
  H     16.79679545      4.93924282     -8.73035886
          69
 Energy    -249.84870416344381     
  O      0.90359565      0.08084988      2.49597127
  H      1.19601411     -0.08865220      1.59104239
  H     -1.77878544      0.28205146      6.93555608
  O     -2.13412869      0.59814540     -2.94679200
  H      1.08687564      1.01080222      2.68116254
  H     -0.53281408      4.35440919      0.78529397
  O      0.09371069     -1.62159728      4.62327998
  H     -1.45242185      0.98037362     -2.37050396
  H      0.57087722      3.45983415      1.35901343
  O     -4.20856358      0.02575806     -1.09170953
  H     -2.07792333      1.06154427     -3.77913259
  H     -1.82918894      1.73396902     -0.06483075
  O     -1.84622569     -2.27523603     -2.66804528
  H      0.52474203     -1.10910076      3.92735435
  H     -3.28128260      1.18708696     -0.05818915
  O      0.24810065     -2.48417214     -0.84580602
  H     -0.37467021     -0.98126058      5.17287028
  H     -2.15758298      0.42964869      1.60133416
  O     -3.23339745      3.01179690      2.84656276
  H     -4.00962264     -0.89970459     -0.88206015
  H     -0.91315974     -0.09208374      2.37790448
  O     -4.07277336     -3.01375696      3.76438315
  H     -3.65369251      0.25506649     -1.84717136
  H     -4.42625330     -2.83655961      0.10379287
  O      1.20512817      2.83700016      2.98101572
  H     -2.56655723     -2.51054515     -2.06942978
  H     -2.89270580     -2.77802080      0.10043012
  O     -5.56637743      1.42653724      3.39556256
  H     -1.94787356     -1.33377957     -2.85092250
  H      1.13437377     -1.10380754     -0.46892516
  O     -3.58431646     -0.31410169      4.32880513
  H     -0.27525175     -2.72245198     -0.06870527
  H      2.46867309     -0.32142404     -0.55385844
  O     -1.53309368      0.28397668      6.01378681
  H     -0.37564876     -2.46930232     -1.58495796
  H     -1.81792134      2.79338487      3.93395771
  O      0.17196091      3.76119161      0.52960595
  H     -3.03404788      2.67611014      1.96162535
  H     -1.17016599      1.88658722      5.02088284
  O     -2.64701907      1.71321716      0.44768879
  H     -4.07149425      2.60013507      3.08670299
  H     -0.06082819      2.44074358     -0.66809110
  O     -1.84797316     -0.26163839      2.19986611
  H     -3.98874135     -2.10138984      4.07339293
  H      0.33859246      0.95208997     -0.84313944
  O     -3.66972853     -2.63151227     -0.45889385
  H     -3.19041713     -3.39434079      3.84230818
  H     -0.79995541     -3.06735651      4.18317866
  O      1.57879714     -0.27275521     -0.21525721
  H      1.89381409      3.25997887      3.48642676
  H     -0.91270413     -4.60539044      4.28326908
  O     -1.00568849      2.63558702      4.43887390
  H      0.40901042      2.81425351      3.54664922
  H     -1.42142071     -3.35217404      2.08403607
  O     -0.30469002      1.61808844     -1.11839674
  H     -6.41985305      1.73324279      3.68906594
  H     -1.67359668     -1.92198744      1.57034927
  O     -1.32159707     -3.83718695      3.89391726
  H     -5.71859225      0.91667853      2.57907519
  H     -6.35358319     -3.54154247      1.65509267
  O     -1.51994631     -2.83369272      1.27825916
  H     -4.30922998      0.28694998      4.11851492
  H     -5.07689654     -2.99865833      2.33753187
  O     -5.63864572     -2.92009742      1.54591415
  H     -2.98038106     -0.30541539      3.56791422
  H     -5.46971025      0.04993134      0.33958407
  O     -5.89978922     -0.09976406      1.18994739
  H     -2.33315393      0.05538499      5.50919993
  H     -5.88199838     -1.05449028      1.33325066
          69
 Energy    -249.84856577224943     
  O     16.51263932     11.25697933    -12.13710041
  H     17.07477967     10.49902274    -11.93446577
  H     12.91411412      7.63478505    -14.16382820
  O     15.37578828      5.39935437    -11.25093431
  H     16.35055334     11.68173956    -11.28626007
  H     12.80024467     11.87111658     -9.05760487
  O     11.92752765      5.47125955    -10.04037854
  H     14.64575100      5.00924557    -11.74666133
  H     13.07821723     12.07967779    -10.56477157
  O     17.98332920      6.24600794    -10.34599011
  H     15.01828620      5.64341607    -10.38504019
  H     14.32013184      9.57306257    -14.76523894
  O     16.94340500      6.99686841     -7.75725231
  H     12.24144176      5.10266926    -10.87515560
  H     14.87705424      8.26731282    -14.20235286
  O     17.67264469      8.91174488    -11.04839007
  H     12.70712597      5.57729898     -9.48299154
  H     13.99773454      7.03489576     -8.66450114
  O     16.05074146     12.20424752     -9.46617199
  H     17.23002054      5.78860712    -10.74012050
  H     15.23399055      6.21665556     -8.27275244
  O     10.01572203      9.88044748     -9.89296402
  H     17.74574880      6.37795992     -9.41966561
  H     13.19515805     11.45716638    -12.95518991
  O     16.20598598      9.51377233     -8.68811451
  H     17.39725112      7.02105190     -6.91826582
  H     11.70790018     11.22099659    -12.48341954
  O     13.31165729      8.79064723    -11.42752393
  H     16.76601355      7.91996105     -8.00300465
  H     10.57775725      7.66650307    -13.33617274
  O      9.75368769      7.08449432    -10.28464439
  H     17.18546783      9.14700023    -10.24674238
  H      9.65704722      7.62580630    -12.10334828
  O     12.35545539      7.20620735    -13.49910211
  H     17.98141478      8.00517152    -10.90380584
  H      9.20932753     11.13547817    -13.08445135
  O     13.38020542     12.32575959     -9.67924503
  H     16.38706035     13.03247384     -9.13521826
  H      9.85000559      9.74491439    -12.86539289
  O     14.26851944      8.61689705    -14.87115775
  H     15.08066119     12.29125777     -9.51481688
  H     11.04944535     10.46563410     -8.66269562
  O     14.38251619      6.14602802     -8.71931453
  H      9.95276583     10.24436486    -10.78253246
  H     11.21866470     10.99726140     -7.21799201
  O     12.61440498     11.37449938    -12.18708839
  H      9.94273129      8.92149174     -9.98518987
  H     12.74498833      5.54980215    -12.99805343
  O      9.74776810      8.01471755    -12.98250940
  H     16.24639572     10.46691662     -8.83731449
  H     12.72923445      4.01621001    -13.20010862
  O      9.94764261     10.69465829    -12.67256709
  H     15.26596039      9.28026121     -8.69685300
  H     14.93533085     12.04105031    -14.75051479
  O     11.70536511     10.74792846     -7.99837208
  H     13.09359654      9.69699717    -11.68241572
  H     15.33415758     11.33728096    -13.43516725
  O     12.97912453      4.70082575    -12.58511750
  H     14.16273320      8.55910673    -11.82768283
  H     13.38487461      8.75167535     -9.69540257
  O     14.63406556     11.40179263    -14.10987400
  H      9.03579344      6.60334740     -9.87999112
  H     12.91784313      9.38719338     -8.35324485
  O     13.53305672      8.75211404     -8.73524334
  H     10.54805833      6.53495162    -10.17112206
  H     15.57239587      6.93566582    -12.20012061
  O     15.64290932      7.81924433    -12.58569712
  H     12.53098651      7.68928117    -12.67733183
  H     16.38850312      8.24880599    -12.14869124
          69
 Energy    -249.84847856241015     
  O     12.84545189      9.13006069    -16.82222031
  H     12.96008147      9.12738052    -17.76862726
  H     18.77617502      9.17483187    -11.24351869
  O     12.30300944      8.14141529    -12.80269423
  H     12.38158087      9.95661026    -16.59790180
  H     15.49153507      7.82475537    -11.80740928
  O     14.40210709      8.69312723    -14.53724222
  H     12.78131034      7.96821758    -11.98203584
  H     15.72519986      8.09078974    -13.30705584
  O     13.51912865     13.06483147     -7.43680934
  H     11.79665768      8.95700673    -12.68031420
  H     13.21164085     15.53859385    -12.04077254
  O     11.41020466     11.31901287    -16.06465023
  H     14.00670934      8.79242021    -15.41195299
  H     14.13802421     14.35336077    -11.69346969
  O     14.64647477      8.36659817     -7.89859569
  H     13.67681796      8.45472422    -13.93914521
  H     14.10290323      9.04927331    -10.74218038
  O     13.99600501     10.81946443    -10.89928704
  H     14.30015892     12.81458399     -7.96082286
  H     14.24526578      7.94089643     -9.69370364
  O     12.73226583     10.28688491     -7.68896612
  H     13.83722972     13.56117984     -6.68734496
  H     17.55956974     11.15423317    -12.20575173
  O     15.77660008     13.86466298    -11.28064493
  H     11.71119595     11.90159109    -15.35600850
  H     18.09781613     12.12450210    -13.27930828
  O     11.35123864     10.96023381    -10.03517943
  H     10.57219675     10.94515112    -15.76385455
  H     11.29435705     11.26663220    -13.01926951
  O     12.35542471     12.59309072    -13.70015556
  H     13.96108232      9.05086994     -7.78993591
  H     10.11355747     10.32074130    -13.36288005
  O     17.93242028      9.61344905    -11.32416400
  H     14.59271483      7.80478395     -7.13004983
  H     16.14198454     11.53504129     -8.76170569
  O     16.18507048      7.93189274    -12.47407552
  H     13.06118049     10.93294037    -10.67713279
  H     14.94665312     11.72998269     -9.70882511
  O     13.21395145     14.59881943    -11.87441335
  H     14.14301395     11.04072203    -11.82622167
  H     14.69251660     10.36912906    -13.95902650
  O     14.09142366      8.08459359    -10.63397396
  H     12.13976895     10.37127864     -8.44893275
  H     15.63981172     11.48836114    -13.40879061
  O     17.32552882     11.91739780    -12.75804309
  H     12.95100012     11.19125363     -7.43784428
  H      8.30710281      9.65745849    -15.13445979
  O     10.78145404     10.51257654    -12.69402313
  H     15.76920420     13.42283964    -10.41959166
  H      9.71902028      9.02309741    -15.06993203
  O     15.50978697     12.19748979     -9.07075377
  H     16.35201105     13.32303877    -11.83112114
  H     16.25129159      9.33627477     -8.37186812
  O     14.71938638     11.25894359    -13.58053211
  H     10.94317602     10.77366824    -10.88962970
  H     17.25074204      9.75317604     -9.48377834
  O      9.21897995      9.84821435    -14.93406158
  H     11.33184895     11.92135131     -9.89763254
  H     12.24868581     14.00655774    -10.33453827
  O     16.97577489      9.94092192     -8.57886120
  H     12.49914826     13.34982831    -13.12061441
  H     12.32324044     13.57392000     -8.84445411
  O     11.73901068     13.62008877     -9.61227056
  H     13.21870538     12.15568371    -13.77112107
  H     11.55807176      8.04217431    -15.84951305
  O     10.89216167      7.72504613    -15.22675784
  H     17.33044822      8.98218301    -11.75939495
  H     11.34206717      7.64863833    -14.37437903
          69
 Energy    -249.84838027994050     
  O     13.18357275     11.89408164    -10.96787661
  H     13.79957234     12.53920568    -11.34388506
  H     14.42371857     15.86332180    -14.28314034
  O     12.79318161     13.49318589    -15.75395400
  H     12.37113271     12.37564019    -10.76889244
  H     16.65659826     13.23721402    -16.54206694
  O     12.22210654     10.03871605    -12.82234014
  H     13.00150621     12.56417039    -15.58362744
  H     17.48805274     11.90323912    -16.48380756
  O     17.47788468     10.70940321    -12.14100291
  H     11.84246929     13.58687691    -15.61322034
  H     14.51843476     14.31931849    -12.67991903
  O     10.78543144     13.35812064    -10.79615948
  H     12.56613419     10.68397628    -12.18619139
  H     15.22651801     12.96099287    -12.89430042
  O     10.00189048     11.73825534    -13.03890564
  H     12.65613214      9.20056854    -12.61953251
  H     16.69531601     15.86150461    -14.76123455
  O     13.49553059     10.86529220    -15.13053472
  H     16.75524459     10.39829680    -11.57072296
  H     16.33811841     17.24016447    -15.36479151
  O     17.65142058     13.52823798    -11.57153566
  H     17.71054570     11.60111414    -11.85933762
  H     16.36485386     11.26461112    -13.45593542
  O     10.10114665     13.65278880    -14.95809923
  H     10.26708501     13.72139246    -10.08328959
  H     16.35894746     12.15299610    -14.74261293
  O     17.92682242     14.76230963    -14.19154282
  H     10.92433352     14.07758169    -11.43836662
  H     17.93727496      9.47293341    -13.46956817
  O     17.45027848     10.07675441    -16.86676233
  H     10.13406598     12.21498934    -12.20993443
  H     17.91483595      9.38567743    -15.01804761
  O     13.68539631     15.38357840    -13.88720597
  H     10.64785704     11.01963013    -13.03011015
  H     15.45749659     15.07226851    -16.47896672
  O     17.37510237     12.77281165    -16.08220523
  H     14.33537902     11.15513321    -14.73643186
  H     14.36313780     14.01201572    -16.70727527
  O     14.97256992     13.60534760    -12.21445501
  H     12.95644059     10.53151308    -14.40168686
  H     14.40940565      7.76130065    -13.00787330
  O     15.97066243     16.38905933    -15.14250995
  H     17.89667403     13.95240258    -10.75252370
  H     13.71342752      6.95761212    -11.88387471
  O     15.79740283     11.75821072    -14.06253016
  H     16.69030688     13.64000121    -11.66665354
  H     15.14500660      8.06723915    -15.25769383
  O     17.91947044      8.85584184    -14.21398727
  H      9.26248662     13.71691845    -15.40684553
  H     16.32391906      8.00943382    -14.27167153
  O     15.25717935     14.26508582    -16.96942184
  H     10.02645856     12.91520819    -14.32565849
  H     14.25648706      9.78982631    -16.29469483
  O     13.84490328      7.84084755    -12.21748777
  H     17.92476195     14.04863795    -14.84538500
  H     14.21612988      8.88289589    -17.54513510
  O     15.41021741      7.71432242    -14.40354903
  H     17.96254482     14.34506949    -13.32436612
  H     14.80600664      9.15381330    -11.20417990
  O     14.78703958      9.18723970    -16.84408723
  H     16.53475980      9.75837074    -16.90046597
  H     14.53755999     10.57332597    -10.67328564
  O     15.23345195      9.91556760    -10.79379560
  H     17.93607267      9.58032011    -17.52215317
  H     10.69071644     14.81551802    -13.53095484
  O     11.12752761     15.19853654    -12.76010634
  H     13.39777462     14.72633490    -14.53894496
  H     12.01841652     15.42811503    -13.05612078
          69
 Energy    -249.84834709874374     
  O     13.11575287     10.89177933    -15.88760095
  H     12.34692610     10.58097822    -15.38535522
  H     18.54023097      9.27490734    -12.19350047
  O     15.70344175      7.66622436    -12.65990390
  H     13.32908617     11.78123163    -15.58134798
  H     16.22943967      9.94696676    -16.81118880
  O     16.50188472     11.61306392    -10.83825241
  H     16.29350699      8.00736880    -11.97622842
  H     16.34132158     10.10136205    -15.29002694
  O     16.69287284     12.79999747    -14.99708661
  H     15.46079862      8.42520529    -13.21582163
  H     14.33417011     10.05743931    -14.74107332
  O     12.49538249     10.29961796     -8.84426023
  H     17.19411604     11.98802517    -11.39502051
  H     14.89011439     10.56530699    -13.39913811
  O     13.07439237      7.41387975    -11.96451980
  H     15.66658997     11.76939862    -11.30556293
  H     11.41555049      9.95903636    -13.33749626
  O     14.21509006     11.88801020    -12.29389415
  H     17.28439403     12.72446300    -14.23827797
  H     11.41903985      8.83065083    -14.38943793
  O     16.49669164      6.54743372    -15.05667110
  H     16.85029043     12.01432042    -15.53650794
  H     16.28293586      7.50310170     -7.70153431
  O     13.47321865      7.61464183     -9.17866213
  H     11.99167517     10.69269591     -8.13678497
  H     15.14430693      7.82082224     -8.69936008
  O     18.70396006      8.33678846    -15.41975650
  H     13.42384649     10.56055292     -8.70700230
  H     12.78258356      6.94719007    -15.21928178
  O     14.16276933      6.74034047    -16.40394339
  H     14.02657513      7.41997610    -12.14902211
  H     11.39896175      6.36973655    -14.85786881
  O     18.99738246      9.71823247    -12.91969446
  H     12.64704225      7.16805834    -12.79239853
  H     18.68807948     11.42175885    -12.87432329
  O     16.84717622     10.20425417    -16.11115505
  H     14.00818437     12.46494497    -13.03950867
  H     19.24047460     12.84671892    -12.63574475
  O     15.00815202      9.88240415    -14.07086886
  H     13.44384342     11.33910184    -12.09113574
  H     17.00167179      8.55220853     -9.95249842
  O     11.22733459      9.76842331    -14.26550914
  H     16.26495109      6.76795804    -14.14289120
  H     17.01098536      9.84881800    -10.79790335
  O     16.04840209      8.06714142     -8.43341006
  H     17.30435159      7.04023552    -15.24085000
  H     15.53893559      9.92905789     -8.34895728
  O     12.04735414      7.01801598    -14.59059219
  H     13.01771704      8.44481210     -8.99196023
  H     15.66157605     11.20816675     -9.20148540
  O     18.43357734     12.35743391    -12.77501980
  H     13.26102041      7.39631005    -10.09549386
  H     14.49344802      8.47031982    -17.26070920
  O     17.30101986      8.92452624    -10.79124101
  H     19.43739856      8.28097805    -16.02735610
  H     14.05659375      9.94113337    -17.16807199
  O     15.14489849     10.79781514     -8.49602712
  H     18.11406995      9.03484157    -15.75492325
  H     12.18889628     10.21979188    -10.67049902
  O     14.69549839      9.35137170    -17.59510986
  H     15.01420193      6.65811511    -15.93750097
  H     12.55557684      9.16992788    -11.74548383
  O     12.23577123     10.07581389    -11.62428272
  H     14.16934092      6.07814204    -17.09150016
  H     15.00598102     13.18754021    -14.84212061
  O     14.04783649     13.31493879    -14.71285406
  H     18.93194182      9.14871778    -13.69431213
  H     13.85423470     14.21772794    -14.94987784
          69
 Energy    -249.84817136581287     
  O     12.14442459      9.17017509    -16.84750755
  H     11.53515143      8.73361607    -16.24016241
  H     16.41527325      5.63936608    -14.35873350
  O     15.37059748      6.31912471    -13.02620619
  H     12.24540096     10.07834942    -16.53686747
  H     19.56129808      8.34340061    -11.96962995
  O     14.87395615     10.32523775    -11.16158225
  H     15.73978649      6.82660400    -12.29164632
  H     18.49541663      8.31788268    -13.09029135
  O     17.46465597     12.15428639    -14.89316627
  H     14.46087782      6.11103852    -12.77833970
  H     15.61612667     11.21918059    -17.30028210
  O     14.55162203      5.27260251    -16.58843466
  H     14.14939119     10.05148780    -10.58168456
  H     15.98557344     11.99603283    -16.01880484
  O     12.69797870      9.08860079     -9.96538349
  H     14.46329624     10.46839602    -12.02769293
  H     15.00990416      8.34387238    -15.61840277
  O     12.78601998      6.01693197    -12.13349241
  H     17.38027761     11.75610601    -14.01004034
  H     15.20513351      7.72669623    -14.19241377
  O     13.62161840     10.39106362    -13.60273698
  H     17.88393298     13.00193026    -14.76500223
  H     11.09752761      6.90522243    -15.04749380
  O     18.57445803     10.12898243    -16.59763140
  H     15.41804539      5.33109458    -16.14830089
  H      9.63773738      7.39211180    -15.21205637
  O     14.08784895      6.55639520     -9.64864457
  H     14.57155587      4.48431455    -17.12557604
  H     17.10924323      8.03118774    -11.17692232
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  H     15.74544459      8.74646455    -10.98783174
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  H     13.03937583      8.22289288     -9.71318825
  H     13.02804012      5.44515403    -15.40328230
  O     18.63430855      8.48632237    -12.14177356
  H     12.41138298      6.89802814    -12.28968423
  H     12.43548385      5.50282257    -13.96338739
  O     15.28099677     11.86337421    -16.66577017
  H     13.10752974      6.02205407    -11.22380789
  H     16.51495843     10.93841669    -11.88440907
  O     15.27978461      8.53951270    -14.71162746
  H     14.24890659      9.78946414    -14.03424745
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  O     10.52412815      7.69333767    -15.03025945
  H     13.25982469     10.96204483    -14.28921169
  H     16.30992838      9.76770035    -19.28953077
  O     16.19838122      7.89512995    -10.88741127
  H     17.88477986     10.00291744    -17.26163686
  H     15.70141181      9.10025426    -18.03689103
  O     12.21753688      5.58408830    -14.90044993
  H     18.27762598     10.86467100    -16.04593336
  H     11.19411263      8.34056463    -13.38918648
  O     17.31726108     11.04646274    -12.41042586
  H     14.89874482      6.97079580     -9.98630676
  H     12.39167378      9.21444616    -12.96302800
  O     16.31201654      9.79505724    -18.33584538
  H     14.32830829      6.10302731     -8.84420555
  H     13.64005571     11.86103476    -16.19037406
  O     11.75970034      8.55702309    -12.63788141
  H     18.40204371      8.76960589    -15.43935779
  H     12.29954069     12.61904045    -16.01800121
  O     12.72501187     11.78094472    -15.86125385
  H     17.09199266      8.37147032    -14.73700827
  H     14.46821454      7.02558912    -17.21776139
  O     14.52247884      7.97976969    -17.34577195
  H     17.45947151      6.32557953    -15.23953179
  H     13.63383234      8.36003026    -17.24623526
          69
 Energy    -249.84794638906652     
  O     -7.55575686     -2.75404446      6.39464802
  H     -6.75185415     -2.28311998      6.64443260
  H     -4.34740053      0.68237541      2.04722564
  O     -8.86974415     -2.60334558      2.03298053
  H     -8.22548361     -2.08414344      6.19958874
  H     -6.46800271     -0.95452353      3.69534945
  O     -7.64324003     -4.18639252      4.10556404
  H     -9.62844243     -2.11371786      2.37064377
  H     -6.55487769      0.28045601      4.65453665
  O     -5.53951428      0.45328320      0.63707250
  H     -8.57435981     -3.17598695      2.75183374
  H     -4.59591582     -1.28356505      6.18977699
  O     -6.13997402      1.18532145      6.27341661
  H     -7.62956114     -3.73809527      4.97007588
  H     -4.54674024     -1.57645342      7.70890761
  O     -5.63397724      5.10261085      1.10333408
  H     -7.74178074     -5.11830525      4.28023022
  H     -1.17028313      3.07593468      1.48176737
  O     -9.28138852     -0.78644373      5.36752866
  H     -6.33349149      0.89527079      0.97938900
  H     -2.48919341      3.60154782      2.09983207
  O     -3.81544579     -1.19161040      4.65113418
  H     -5.81754160     -0.44859645      0.44622391
  H     -9.27442571      2.73742572      5.32898112
  O     -4.43241378      2.95781696     -0.08410426
  H     -7.03953511      1.34768645      6.58648355
  H     -8.76089445      3.55441294      4.12152831
  O    -11.03517602     -1.15076230      3.22167193
  H     -5.80949556      0.38181798      6.69539510
  H    -10.30331670      2.03089535      3.29477366
  O     -6.66343975     -2.15963648      0.49631064
  H     -5.81546913      5.77646915      0.45370063
  H     -9.59446632      1.37937566      2.11049023
  O     -3.73529040      0.90747930      2.76147181
  H     -5.26377786      4.34190975      0.62101370
  H     -5.81412499     -2.47000756      2.13461476
  O     -7.00580610     -0.19402746      3.94459842
  H    -10.00737389     -0.97269226      4.76061256
  H     -6.22010717     -3.21686725      3.42891553
  O     -5.13213814     -1.31207952      7.00405925
  H     -8.51047054     -0.60034169      4.80698851
  H     -9.13642338      0.68762848      6.36345884
  O     -2.09583514      2.87392714      1.58466771
  H     -3.64607099     -0.43054683      4.08165530
  H     -9.43330227      1.59160345      7.58413008
  O     -9.55777335      3.18546428      4.52534131
  H     -4.29828880     -1.81695566      4.09150439
  H     -3.92356742      4.21057009      3.65237370
  O    -10.43075711      1.37656537      2.59294381
  H     -3.56087841      2.90992731      0.32798450
  H     -4.18042151      5.04887158      2.38750750
  O     -5.60842400     -2.55880036      3.07353915
  H     -4.80974977      2.07234408     -0.00365569
  H     -4.53114498      2.14035403      3.85681723
  O     -8.86642040      1.50147816      6.82206672
  H    -10.87796032     -0.22217397      2.96463541
  H     -5.25991505      2.35227953      5.20866841
  O     -3.48092507      4.74927885      2.98155826
  H    -11.95868627     -1.32644790      3.06632065
  H     -7.57106180      2.37648785      2.24121127
  O     -4.91465754      2.81570819      4.43458964
  H     -7.50889451     -2.24813187      0.97276303
  H     -7.53412472      0.87095974      2.59830297
  O     -7.71816000      1.49285916      1.87694071
  H     -6.72561689     -2.72177451     -0.27168904
  H     -6.75403325      4.42978759      2.45251969
  O     -7.14033828      3.89583579      3.15792500
  H     -3.05215958      1.46952519      2.37411851
  H     -6.39363944      3.54467962      3.66485101
          69
 Energy    -249.84734213398372     
  O     12.80744891     11.57852752    -14.74319369
  H     13.60067543     12.12450283    -14.71847704
  H     16.07046725     11.15323796    -17.44707503
  O     15.60758296      6.32214015    -13.62622604
  H     12.97614071     10.89454527    -15.40786003
  H     15.44817037      8.02765629    -14.27937377
  O     18.02137877      9.78763736    -11.66827858
  H     14.95606849      6.46465872    -12.92517091
  H     14.80096216      9.12083368    -15.19365165
  O     17.93988197      9.30415794    -15.76804947
  H     16.47694015      6.44514793    -13.22302472
  H     11.99417972     10.80941311    -13.44093233
  O     12.30802634      7.00008097    -16.17877902
  H     17.27476287     10.30406021    -12.00370791
  H     10.73781636     10.73794415    -12.53931197
  O     14.87262571      8.99430576     -8.69957774
  H     17.95258744      9.75081450    -10.70647505
  H     17.73825024      6.55637764    -10.53741308
  O     13.84362041      7.05249691    -11.62438739
  H     17.10524267      9.15594166    -15.29719723
  H     16.63249838      6.37639177     -9.46405846
  O     15.80598612     10.98140604    -12.76129610
  H     18.64933426      9.20585313    -15.12393297
  H     12.46048502      7.24677376    -12.88813463
  O     16.63952651      7.84317815    -17.82841137
  H     11.55360016      6.53555061    -16.53058575
  H     11.68116213      8.49925945    -13.32524557
  O     14.75957998      6.31039093     -9.07055625
  H     12.12327440      7.16112859    -15.23562263
  H     20.70705368      9.33802013    -13.53966026
  O     15.03840299      6.08717314    -16.37247872
  H     15.80347620      9.24561596     -8.72376837
  H     19.29090744      9.41260296    -12.93274716
  O     16.55907022     11.56385329    -16.72433954
  H     14.46000157      9.39457135     -9.47810054
  H     18.76899179      7.18001573    -12.93921267
  O     15.47695560      8.96088491    -14.52285176
  H     13.89559510      8.01045459    -11.49428196
  H     17.80651322      7.97442025    -12.07846718
  O     11.56989667     10.30918729    -12.71976365
  H     14.07368240      6.65134995    -10.77814717
  H     18.29696666      9.42663251     -8.17667841
  O     17.54999598      6.64768940     -9.59533905
  H     15.66223634     10.24126248    -13.37578503
  H     17.73069892      8.31243923     -9.09176607
  O     11.87070114      7.58623715    -13.57292169
  H     15.69792843     11.78090335    -13.28839687
  H     15.10741223      9.98281876    -19.58595411
  O     19.81236755      9.02828054    -13.65694973
  H     17.25251771      8.22456286    -17.18769019
  H     15.70994641      9.14702140    -18.42868360
  O     17.99569985      7.07256404    -12.37987288
  H     16.12243708      7.17134624    -17.35918935
  H     14.53020754     10.31136954    -11.65595087
  O     17.72935387      9.27348936     -8.92752567
  H     14.74762138      7.25867725     -8.84290739
  H     13.00742269     10.03637586    -11.59053212
  O     15.16246957      9.92810958    -18.63659808
  H     14.35046547      5.84525852     -8.34585862
  H     15.50021627     13.86407054    -14.84979534
  O     13.84990145      9.82934438    -11.16619312
  H     15.27895950      5.98275087    -15.44247876
  H     15.78413657     12.47180444    -15.45801576
  O     15.34340040     12.93270576    -14.72112878
  H     14.09823077      6.30079815    -16.37015394
  H     13.97800504      9.64262056    -17.27065426
  O     13.49795742      9.50756300    -16.44333589
  H     17.18500343     10.89081984    -16.42437113
  H     13.03921793      8.65886300    -16.48881905
          69
 Energy    -249.84720702896482     
  O     11.70105435     11.21284551    -14.86174978
  H     12.27232570     11.95224600    -14.62488804
  H     15.84525349     12.03101492    -16.25942654
  O     15.57584569      6.78826148    -13.59641459
  H     12.15231759     10.74473852    -15.57830373
  H     14.98345504      8.42763749    -14.13626164
  O     16.94304808     10.81975534    -11.55552945
  H     16.33700762      7.16524581    -13.13240177
  H     14.22774625      9.42811883    -15.08402274
  O     12.83271328      6.97971786    -16.73375971
  H     14.88154459      6.64236596    -12.94027500
  H     11.00479356     10.08682163    -13.75178866
  O     13.97178510      8.70014504     -8.76685402
  H     17.45261555     11.25252779    -12.25030177
  H      9.71708931      9.52938009    -13.09962904
  O     13.48129925      6.70191795    -11.79311892
  H     16.01196789     10.98020958    -11.77378513
  H     17.02841013      8.01150596     -9.32980699
  O     14.37724807     11.13474067    -12.41077991
  H     12.25648006      6.40830355    -17.23460004
  H     16.34660395      6.65405788     -9.56999832
  O     16.85668525      8.83831761    -16.30257812
  H     12.51229454      6.96101924    -15.81320512
  H     12.43508403      6.75277924    -13.39034106
  O     14.51980976      6.08687203     -9.24894655
  H     13.43362225      9.00479288     -9.51023081
  H     11.45276085      7.83319760    -13.87359687
  O     15.63280368      6.39985162    -16.36416129
  H     14.80016582      9.19410650     -8.80339394
  H     18.95248514     12.41708699    -13.94208534
  O     18.90285586      9.29219107    -14.44394941
  H     13.23885674      7.61666011    -11.58824973
  H     18.50828036     10.94828600    -14.12624574
  O     15.88140611     12.57544326    -15.46507450
  H     13.79687014      6.31861552    -10.96585733
  H     17.33722777      9.02311133    -12.04616928
  O     14.88386431      9.35877938    -14.37884735
  H     14.57159210     10.50624029    -13.12801707
  H     17.57775805      7.64878928    -11.38646096
  O     10.66066351      9.40213905    -13.15000117
  H     14.06581523     11.94166219    -12.83569101
  H     16.77136624     10.26558386     -9.85321871
  O     17.17116562      7.13500739     -9.70875418
  H     16.31058856      9.14337182    -15.56247936
  H     17.04312126     10.40810277     -8.34115529
  O     11.96257100      7.06920618    -14.16984422
  H     16.55769483      7.93343217    -16.47949844
  H     16.00303423     10.94857650    -18.62193108
  O     18.19391374     11.84050103    -13.89284571
  H     14.25925570      5.51237934     -8.53410031
  H     16.19275939     10.07539145    -17.35776168
  O     17.60079005      8.11358972    -12.23582404
  H     14.28319890      6.99457718     -8.98286311
  H     13.27576392     10.01113449    -11.54735531
  O     16.58414099      9.87357945     -8.98492396
  H     14.70015471      6.50762013    -16.58399078
  H     11.89057144      9.36049515    -11.74129473
  O     15.65980510     10.79140581    -17.74616646
  H     15.66235321      6.34630366    -15.39707610
  H     14.42213983     13.02475275    -14.63863052
  O     12.68357946      9.33283497    -11.19187251
  H     18.36036923      9.03194335    -15.20029103
  H     13.51419766     14.15838071    -14.10419872
  O     13.61579290     13.21090192    -14.12375851
  H     18.61821889      8.73780770    -13.70487994
  H     13.98398135     10.07498350    -17.16869863
  O     13.24819116      9.74019133    -16.64201987
  H     16.66060755     12.30275954    -14.96527446
  H     13.11304991      8.80511341    -16.84760860
          69
 Energy    -249.84719786522305     
  O     -2.27159825     -0.56263070      2.72272919
  H     -2.80590134     -0.37562164      3.50601836
  H     -3.41077521     -3.61918919      5.01476254
  O     -3.51810427      2.75140668      4.33374994
  H     -1.88070314     -1.43828563      2.83651692
  H     -3.42054992     -2.23458076      7.24042330
  O      2.13088740     -1.10791492      3.20184842
  H     -3.15240315      3.06931929      3.49920711
  H     -2.00720142     -2.71807706      7.60613552
  O      3.53309347      1.25948502      3.72421839
  H     -2.91963888      3.04759643      5.02996149
  H     -0.96417579      0.40559750      6.99789872
  O      0.83515271     -2.35751850      1.03646174
  H      1.92589022     -1.58291327      2.38847268
  H     -2.17686263     -0.34870698      7.61447646
  O     -0.84518943     -2.91650128      3.18196719
  H      1.43531997     -0.43623219      3.29363789
  H     -0.26322108     -4.62645958      7.33141415
  O     -1.80879724      1.14913864      0.56445063
  H      3.26752472      0.34205220      3.57682533
  H     -0.09183751     -3.43788238      6.36137510
  O     -2.27821836      3.63731378      1.92925301
  H      3.27228396      1.72503816      2.91999748
  H     -1.88289888      2.27319212      6.93217605
  O      0.29079698      3.38197864      2.75770456
  H      0.18000552     -2.62559067      1.70157166
  H     -2.16709500      3.73417768      7.33394678
  O      2.47677753      2.38023084      1.32535124
  H      0.89641005     -3.07626231      0.41201665
  H     -5.57093804     -2.35321956      5.72992559
  O      0.91110267     -2.30678660      5.38472527
  H     -0.26614176     -2.66442096      3.91215291
  H     -4.36718095     -1.43452862      5.42601082
  O     -2.68088156     -4.18776604      4.73865309
  H     -1.54157093     -3.46322330      3.57597944
  H      0.09185587      1.61224147      3.32037017
  O     -2.67630448     -2.05972885      7.82960260
  H     -2.10225391      0.50027626      1.21932766
  H     -0.78508317      0.32815029      3.28780171
  O     -1.89454064      0.50289123      7.25068760
  H     -2.06775291      2.00722371      0.91849016
  H     -0.10453988      3.62346770      5.87004600
  O     -0.74768171     -3.95521039      6.85671872
  H     -2.41962021      4.47836483      1.50190169
  H      1.41245051      3.30699868      5.76598975
  O     -1.80388053      3.19442316      6.63476657
  H     -1.34281082      3.61263465      2.19813254
  H      3.57829168      2.28340939      6.71979615
  O     -4.61743026     -2.32602651      5.72217536
  H      1.10079322      3.18785593      2.27108941
  H      3.11155857      1.80886879      5.32329718
  O      0.02202813      0.71065537      3.65412032
  H      0.51236955      3.65180755      3.66320512
  H      0.85325131     -0.47432672      0.44935417
  O      0.70509769      3.84705037      5.39391739
  H      2.97872702      2.75821437      0.60833970
  H     -0.07289640      0.75113575      0.31058384
  O      2.80196339      2.06933708      6.20986185
  H      1.92900554      1.67138951      0.93899810
  H     -3.00717814      0.21070597      5.79762215
  O      0.85716762      0.47621477      0.30337237
  H      0.78617237     -1.46960113      5.85522849
  H     -3.75390650      1.04274233      4.73333870
  O     -3.61944430      0.13745374      5.05311198
  H      1.53361331     -2.09132138      4.67737339
  H      0.36543425      0.49121326      5.35804834
  O      0.64255612      0.29584886      6.26925252
  H     -2.09519501     -4.25385464      5.50369939
  H      1.41884832      0.84348605      6.43302740
          69
 Energy    -249.84700842985364     
  O      9.84072471     12.89179179    -10.89766957
  H     10.56689980     13.50950326    -10.73001819
  H     12.20358223     12.34897092    -12.84453602
  O     13.09196526      8.12722504    -16.25316368
  H      9.93503821     12.60575905    -11.81458235
  H     16.95052737      9.49151221    -10.97021771
  O     10.47057465      8.74564014    -10.32370728
  H     13.14390581      7.41515695    -16.88408781
  H     16.71388464      9.00752568     -9.52409055
  O     13.68724291      8.66094325    -13.56545406
  H     12.14740623      8.34185781    -16.14401814
  H     14.00327389      8.03409979    -11.92217430
  O     13.77175688     13.58926580     -8.24773633
  H     11.05566625      8.23021109     -9.75775861
  H     15.09610429      8.09795513    -10.80472711
  O     13.65333166     10.94879697    -16.26966178
  H     10.14926735      9.48921477     -9.80027780
  H     13.09417013      7.35184725     -9.71819568
  O     10.96129625      9.19936019    -12.98297333
  H     14.17609109      9.49351034    -13.63053279
  H     12.37509054      6.23736547     -8.92167646
  O     13.84129697      9.04424919     -7.30660553
  H     13.56083869      8.33967401    -14.46649991
  H     16.64505839     11.65238392    -10.97827295
  O     13.46594067     10.63064050    -10.43341726
  H     14.12622263     14.23314098     -7.63882025
  H     17.89191684     11.76179422    -11.88118391
  O     12.22600774     11.20366434     -7.98353193
  H     14.52948062     13.12133560     -8.63272772
  H     10.61752041     11.97057005    -14.40812039
  O      9.62319320     11.10507323     -8.92148406
  H     14.23878900     11.08783612    -15.51459818
  H     10.63181262     10.94412778    -13.24762067
  O     13.07237896     12.47214682    -12.43713666
  H     13.58851390      9.99221190    -16.38280230
  H     16.02246250     11.28208350     -8.78675919
  O     16.72380039      8.71565578    -10.44476823
  H     10.74640859      8.98855681    -12.06278732
  H     14.90848436     11.46712368     -9.84032932
  O     14.15534504      7.93741380    -10.97196938
  H     11.90177714      9.02358431    -13.11242870
  H     14.36084284     11.69848864    -13.37462507
  O     12.48973363      7.18306199     -8.97312762
  H     13.39061185      8.32267092     -7.76156166
  H     15.79708961     11.14819508    -13.21006675
  O     17.07153259     11.28610234    -11.76909692
  H     13.25115170      9.80689310     -7.38493296
  H     10.86343574     12.33290940    -16.95905751
  O     10.55573966     11.88976829    -13.44901817
  H     13.63834328      9.69649907    -10.59855791
  H     11.99513818     11.54933610    -16.25459133
  O     15.66955173     11.91167981     -9.43064705
  H     12.92278306     10.70200300     -9.63796527
  H     16.92816552      9.57061282     -7.03120271
  O     15.02153297     11.11364389    -13.77950744
  H     11.28649095     11.24765636     -8.20772346
  H     15.48905556      9.46956466     -7.59008015
  O     11.04479879     11.75833240    -16.22019973
  H     12.58648302     12.09842229     -7.97608284
  H     12.70925126     14.20748341     -9.74966293
  O     16.39490602      9.76546303     -7.79672664
  H      8.75653710     11.17526125     -8.53133886
  H     12.60230708     13.87132669    -11.24761644
  O     12.17942637     14.37241143    -10.53667176
  H      9.65816702     11.75449406     -9.64880310
  H     10.55662331      9.89347328    -15.99582488
  O     10.56098424      8.95904881    -15.75372963
  H     13.13836248     11.81452347    -11.72716298
  H     10.51269719      8.93869827    -14.78731492
          69
 Energy    -249.84698757109348     
  O     18.09146832     12.39937498    -19.24355789
  H     17.68247880     13.28467208    -19.23388281
  H     20.14043446     15.61205472    -17.07744611
  O     18.94027434     18.31910323    -13.63605642
  H     17.82937713     11.98604849    -20.06189733
  H     14.72511823     12.54964467    -14.22306077
  O     21.88437390     11.94004365    -16.36851426
  H     18.52179500     18.47363087    -14.49477952
  H     14.75640946     13.99063492    -13.69076269
  O     16.20285503     14.90234819    -12.76136759
  H     19.85258656     18.06326901    -13.82171720
  H     22.77949142     13.39077484    -15.59517701
  O     15.44832748     13.96728647    -16.77313948
  H     22.29770441     11.11268112    -16.59859538
  H     22.81582216     14.30741066    -14.34349794
  O     15.96759610     11.03797952    -14.30033995
  H     21.52002092     12.31555814    -17.19176620
  H     17.19470026     11.99127137    -13.13728257
  O     20.75597721     13.08189937    -18.52787618
  H     16.67622029     15.59157736    -12.27770135
  H     18.51956932     12.62291153    -13.58690312
  O     22.99721737     16.54530495    -16.56549583
  H     16.77863186     14.12420754    -12.76547486
  H     17.95281722     18.14982873    -17.02622892
  O     17.93141709     16.81083317    -11.64128416
  H     14.85985393     13.83602493    -16.01511590
  H     17.17925911     17.61094315    -15.82642100
  O     19.51752141     12.68001349    -15.07011224
  H     16.08795985     13.24333365    -16.73246163
  H     22.73517562     14.89657211    -11.90964504
  O     16.90029670     14.80437133    -19.03370672
  H     16.40171297     11.21968304    -15.15014158
  H     21.26152209     14.71748764    -12.33230366
  O     20.62229421     15.82979071    -17.89207319
  H     15.69264492     10.12457306    -14.32434407
  H     21.70012080     16.41287580    -13.66792458
  O     14.30312814     13.41237535    -14.31780985
  H     19.87639708     12.81812516    -18.82345527
  H     21.93637844     17.06281041    -15.05707058
  O     23.15988802     14.20287254    -15.23967466
  H     20.73850920     14.04382315    -18.43978230
  H     19.09937302     15.32472985    -11.64434871
  O     17.86733531     12.62766701    -12.86902531
  H     23.12530851     15.67904682    -16.13524907
  H     19.06475268     13.81079494    -11.95451781
  O     17.68826124     18.37772350    -16.12945431
  H     23.86271669     16.87182344    -16.79507628
  H     17.58444335     11.88647393    -17.51261314
  O     22.15650965     14.90345942    -12.66800645
  H     18.25783917     17.37848031    -12.36296852
  H     18.12399072     12.14069855    -16.08274107
  O     21.35357057     17.06812315    -14.28828165
  H     17.78343113     17.38219050    -10.89240316
  H     19.96491068     15.98768887    -14.98086582
  O     19.65482638     14.53951021    -11.72970379
  H     19.53182973     13.64116968    -15.20326300
  H     18.49791988     15.63378244    -15.40268268
  O     17.34193545     11.85669768    -16.57909039
  H     20.34631804     12.32955267    -15.41461431
  H     19.24552508     16.79732460    -18.52711247
  O     19.42301317     15.36105661    -15.47477448
  H     17.30351854     15.67039338    -18.90667105
  H     18.56535445     17.77886070    -19.50650105
  O     18.40591205     17.23898735    -18.73534192
  H     16.24881672     14.67931202    -18.33065779
  H     16.50159012     15.65158124    -14.38917045
  O     16.72692327     15.92318787    -15.28801415
  H     21.48485249     16.15346569    -17.60535426
  H     16.26775144     15.31454225    -15.88002569
          69
 Energy    -249.84688543816426     
  O      1.27531554      0.20593585      3.99399186
  H      0.77909620     -0.43618721      4.51558897
  H     -1.90555392      4.05389658      1.16331906
  O     -1.72797683     -1.32278980     -3.31798185
  H      0.70609678      0.98773999      3.95676623
  H     -2.71980589      0.97646092      5.75207119
  O     -0.58598791     -1.60474866      5.29319900
  H     -0.94971741     -0.80876823     -3.03780773
  H     -3.49354410     -0.24252137      5.21800802
  O     -3.61462993     -0.96424590     -1.26865817
  H     -1.74710039     -1.29519593     -4.27072462
  H      0.16746443      3.04932539      0.88899167
  O     -0.90628873     -3.38079322     -1.47643001
  H     -0.42993779     -2.12776404      6.07502048
  H      0.69689662      4.45454546      1.25445718
  O      1.63993468     -2.17380998     -0.82172779
  H     -1.33400169     -1.01621949      5.49918591
  H     -2.96514863      0.62024717     -0.62589560
  O     -4.33454159      3.20637862      3.25850040
  H     -3.07831638     -1.07262010     -2.06421370
  H     -2.56890775      1.02969874      0.81025992
  O     -0.62530946      2.24135126      3.70373181
  H     -3.31047898     -1.63559854     -0.64209621
  H     -3.15820641      0.26453144      2.96845689
  O      0.50238655     -0.08135905     -2.38339204
  H     -1.19203294     -2.80985163     -2.20030081
  H     -1.80011340      1.05602320      2.93052695
  O     -6.28833484      1.31157507      2.37065434
  H     -0.01924113     -3.08068983     -1.24398801
  H     -2.13190077     -3.28184549     -0.17155264
  O     -4.66412219     -0.49796575      3.78229312
  H      1.51370200     -1.69037044      0.01213576
  H     -2.16448140     -2.73270360      1.27698776
  O     -2.84412870      3.88487410      1.02634472
  H      2.50626560     -2.57081157     -0.77903938
  H      1.32076420     -0.38547721      2.28208499
  O     -2.73531924      0.01214058      5.76114250
  H     -3.84728854      3.51812789      2.48111071
  H      0.24905066     -1.30971874      1.71047871
  O      0.01743912      3.81901175      1.46415572
  H     -5.03359731      2.63203614      2.92924023
  H     -3.37043571      3.00660418      4.65227483
  O     -2.56963395      1.33338560     -0.11222571
  H     -1.25784455      2.60975200      4.33393521
  H     -2.94668140      3.53643789      6.04412513
  O     -2.36691413      0.44154697      2.44541499
  H     -0.42659471      2.90634357      3.03242916
  H      0.46289385      0.75111759      0.50154100
  O     -2.72893283     -2.98915702      0.53228504
  H      1.00010272     -0.79841704     -1.96951205
  H     -0.78897872      1.43494949     -0.13394310
  O      1.01124387     -0.77401889      1.45103277
  H      0.44793215      0.61052208     -1.71334567
  H     -0.96657989     -2.08056634      3.50919812
  O     -2.75126307      2.86792472      5.39370218
  H     -6.14054301      0.75572140      1.58509301
  H     -1.62874106     -1.13725967      2.48809202
  O      0.17318476      1.50653158     -0.02748382
  H     -7.21176741      1.55036500      2.36335902
  H     -4.23357953     -2.89879140      1.47049023
  O     -1.20954840     -2.00931867      2.57860684
  H     -5.31162703      0.13200469      3.43881552
  H     -5.44954240     -3.55506663      2.15839182
  O     -5.02155569     -2.71539440      2.00960285
  H     -4.77160552     -1.31159052      3.27333097
  H     -5.72111719     -1.30645650      0.91093506
  O     -5.85646703     -0.50105659      0.39612305
  H     -2.87711147      3.08798112      0.47909687
  H     -5.20932247     -0.54732003     -0.31838122
          69
 Energy    -249.84618364296580     
  O     13.38643856      7.73725585    -15.50280553
  H     12.74171433      8.25740816    -15.00261811
  H     11.71479229      8.33139141     -9.75903224
  O     11.90951101      9.59028952    -11.22081779
  H     14.25178039      7.89119222    -15.10515803
  H     13.29518196      4.33511666    -14.47589934
  O     16.67167708      5.38742847    -10.55718971
  H     11.97447096     10.52454120    -11.03497662
  H     13.14593568      3.39531145    -13.23118290
  O     11.93843463      2.59656455    -12.17748810
  H     12.80722034      9.28768831    -11.44453762
  H     13.23824292      5.31839257    -12.45319574
  O     14.15876703      7.15882865     -7.80942330
  H     16.44881478      6.29364309    -10.29816025
  H     12.37575361      5.70561560    -11.20151561
  O     18.46349178      8.72273626    -13.60162155
  H     17.63564108      5.33769439    -10.56920006
  H     10.85506908      8.00294895    -13.92771342
  O     16.17374855      5.26529832    -13.30134680
  H     12.18973311      2.58192028    -11.24505867
  H     11.39666713      9.14458772    -13.05249100
  O      9.51491250      4.20815516    -12.13854528
  H     11.06718597      3.00851934    -12.20774179
  H     20.25634955      5.18951934    -10.73866040
  O     18.55541917      8.39349893    -10.90226334
  H     14.07730129      7.36437634     -6.88190746
  H     19.35011606      5.67112442    -11.89808761
  O     12.53912213      2.87828129     -9.39244914
  H     13.30858932      7.39237002     -8.22377775
  H     13.77539361      7.54865485    -11.85515221
  O     11.04180909      5.17240384     -9.97048150
  H     18.49941750      8.68603230    -12.62885710
  H     14.81468484      8.38128985    -12.64835114
  O     11.81078680      7.70566043     -9.03215047
  H     19.02514652      9.44419959    -13.87123282
  H     14.42413633      5.38469065     -8.46540418
  O     13.73626947      4.02241902    -13.67543971
  H     15.40659622      4.71432571    -13.50309144
  H     15.33446230      4.68368847     -9.49391488
  O     12.86967302      6.05791806    -11.95144818
  H     16.28116839      5.26189554    -12.33941467
  H     15.45772170      7.78681374     -8.99600128
  O     11.30736783      8.85438357    -13.96720097
  H      8.59676247      4.04419697    -12.33644790
  H     15.40149486      8.21351622    -10.48383773
  O     19.44574018      5.65309649    -10.92839368
  H      9.82697370      4.87213348    -12.77730912
  H     18.85076256      6.82453538    -13.74892109
  O     14.26939423      8.38521660    -11.85130165
  H     17.72089291      8.37859084    -10.41502359
  H     18.00424823      5.54081652    -13.64797684
  O     14.57888980      4.54237355     -8.90878307
  H     18.95447558      7.52376588    -10.77595909
  H     16.70072895      8.29880735    -14.02431575
  O     16.00804609      7.98321882     -9.76389989
  H     13.32592984      3.42641304     -9.21473970
  H     15.91515723      6.97375074    -13.85767581
  O     18.90970345      5.87552524    -13.58294765
  H     12.53139612      2.18796765     -8.73529646
  H     12.80714597      6.15811350    -15.78650605
  O     15.81843300      7.91293244    -14.07815165
  H     11.48024243      4.37604091     -9.64170473
  H     12.34534203      5.05117061    -16.76788764
  O     12.41159108      5.26696708    -15.84230447
  H     10.38756700      4.87699665    -10.61639117
  H     11.12786170      5.74328378    -14.56308029
  O     10.71673595      6.05639053    -13.74656312
  H     11.40704990      6.87401012     -9.31544120
  H     11.44857771      6.19195845    -13.12477833
          69
 Energy    -249.84594180955497     
  O     -2.35260737      4.31396271      3.15990733
  H     -2.54877024      3.94163171      2.28192081
  H     -0.32535200      8.11266728     -2.89254268
  O      1.61848739     10.48592401      1.16836575
  H     -2.82700862      3.78581866      3.79643869
  H      2.29349373      2.06371521      1.18761139
  O     -0.95472995      8.98275219     -1.32974209
  H      1.73311527      9.68669441      0.63567935
  H      1.20802530      3.14904443      1.37806182
  O      1.11492292      9.45053095      3.62955944
  H      0.78399333     10.87258299      0.87448172
  H      0.32056319      2.42521449     -4.47438839
  O     -1.61018213      9.81092920      2.78611684
  H     -1.04326205      9.80474281     -0.83203414
  H     -0.65732527      2.43755270     -3.27432594
  O      1.41241511      8.04208037     -0.21888520
  H     -1.63443371      8.37890205     -0.99546511
  H     -1.53220882      1.37071580     -1.57542688
  O     -2.63010144      7.06752919     -0.25330633
  H      1.38180671      9.88635610      2.79970177
  H     -2.76570324      2.04597380     -2.21913204
  O     -2.08241222      7.05140048      2.48285343
  H      1.66332628      9.81069109      4.32073001
  H      1.68846455      3.44197721     -0.86143344
  O     -0.96741115      4.97583682     -0.89397620
  H     -1.95950975      8.91073470      2.75556011
  H      1.13076716      3.57015990     -2.32650473
  O     -2.63703074      3.37070309      0.63616114
  H     -0.75467734      9.74209978      3.22814600
  H     -0.44516237      4.19340047      2.80174463
  O     -0.87596172      1.20391189      0.11304478
  H      0.58245350      8.34012285     -0.61969451
  H      0.65366341      5.19962724      2.41855928
  O      0.02614424      7.47420283     -3.52749100
  H      1.89124904      7.55170945     -0.89633119
  H     -5.23793013      2.65674078     -1.71722258
  O      1.60419993      2.53791678      0.72985997
  H     -1.99425926      6.35992606     -0.44314605
  H     -4.29952998      3.88277831     -1.81237768
  O      0.06315347      2.93188797     -3.70907675
  H     -2.63231239      7.14823629      0.70858649
  H     -1.03698879      4.50902852     -3.84195301
  O     -1.90702481      1.65946745     -2.42131727
  H     -2.30971923      6.17823043      2.82273626
  H     -1.03323115      6.06530554     -3.69307469
  O      1.60020221      4.03500893     -1.61941557
  H     -1.12052099      7.04278180      2.36294448
  H     -3.27968592      5.50737248     -2.89117973
  O      0.45430897      4.25424948      2.46259680
  H     -1.26959537      5.03856628     -1.81209263
  H     -3.74848466      6.16640050     -1.57390596
  O     -4.35134553      2.95197630     -1.52935239
  H     -0.03612067      4.74115721     -0.94541382
  H      0.97985874      7.30609018      1.36283593
  O     -1.58094332      5.26849797     -3.60543783
  H     -3.34956787      3.16464116      0.01864737
  H      0.92100892      7.74807129      2.84714224
  O     -4.01136651      5.53833764     -2.25775949
  H     -2.00582858      3.91402602      0.13965902
  H      2.23620928      5.61473735     -2.06909839
  O      0.71275330      7.02032357      2.24843915
  H     -0.00122086      1.55328216      0.31755562
  H      3.34541373      6.47546489     -2.71949845
  O      2.48546316      6.52317104     -2.30981739
  H     -1.50094790      1.85826365      0.45268255
  H     -1.35443117     10.69150454      1.29029669
  O     -1.08864521     11.14636157      0.47087233
  H      0.89777161      7.22081571     -3.20272271
  H     -1.56145720     11.97406575      0.45025971
          69
 Energy    -249.84565118143945     
  O     11.53334185     10.39883145    -10.82395774
  H     12.38630467     10.69993570    -11.16126779
  H     17.89074311      5.89773066    -17.30006811
  O     13.40437806      7.80445140    -15.33575116
  H     10.94181872     10.36335717    -11.58658512
  H     16.65030774     11.69536266    -13.83891525
  O     17.82845685      9.38678368    -16.82943533
  H     14.20373727      8.11223722    -14.87858753
  H     16.41210852     13.17705467    -13.46543817
  O     12.40908631     10.21169699    -14.44410069
  H     13.68572588      7.62212067    -16.24238335
  H     15.49688871      8.58886727    -13.07681161
  O     15.63186166      4.95403888    -10.83661675
  H     17.05787649      9.73544321    -17.29696152
  H     16.34376409      9.17976944    -14.23467428
  O     12.69110941      6.06618961    -13.31872296
  H     17.75376994      8.42640467    -16.87684138
  H     10.74309247      8.01965001     -8.86751605
  O     15.33689476      8.69447950    -11.30314896
  H     12.63901705      9.34914224    -14.81934890
  H     11.33186992      8.86204247    -10.02615240
  O     15.40929799     10.29113342    -17.99644927
  H     11.50908230     10.14505429    -14.10383032
  H     16.85043922      7.62005699    -11.45891474
  O     14.80668155      4.16678247    -13.29697387
  H     16.40084522      5.53171276    -10.90304570
  H     17.38384851      6.60474212    -12.51895742
  O     17.72079609     10.39907386    -14.31556143
  H     14.88573756      5.52431603    -10.60145828
  H     10.50135108      7.35723657    -11.41829542
  O     14.71773928      7.53409008    -17.72543316
  H     13.30052179      5.32203030    -13.39115076
  H     11.01661313      6.74374018    -12.74030314
  O     17.32986116      6.55430067    -16.89377515
  H     12.87306638      6.64578038    -14.07328368
  H     20.20601861      8.87843771    -12.23921555
  O     15.96452843     12.34758387    -13.61085684
  H     14.66787382      8.05379814    -11.02162368
  H     18.80660713      8.25059394    -12.17076161
  O     15.67033819      8.52165794    -14.02573265
  H     14.88053782      9.53237620    -11.46181667
  H     16.30930932      6.88743726    -14.20661854
  O     11.19056494      7.95247765     -9.70626407
  H     15.01741184     10.78264309    -17.25314806
  H     16.07044435      5.35526082    -14.02094701
  O     17.55634176      6.98164886    -11.64473243
  H     15.28217784     10.82835494    -18.77407780
  H     14.89631914     11.97976555    -15.17481963
  O     10.29798661      7.26306156    -12.35725064
  H     15.11136756      4.34300506    -12.38814390
  H     13.58482557     11.22576058    -15.46197537
  O     19.31668767      8.96926165    -12.57245964
  H     14.77728080      3.21927738    -13.40041569
  H     12.71864647      7.09821646    -10.24692234
  O     16.73829040      6.01679978    -14.24077130
  H     18.34493478      9.95358716    -13.72561024
  H     13.17702233      6.54398439    -11.62494963
  O     14.35135411     11.63110091    -15.88896740
  H     17.89016574     10.10887167    -15.22535513
  H     14.63710860     11.50994892    -12.56568308
  O     13.47832787      6.74692560    -10.72705176
  H     14.90793228      8.46530163    -17.90181842
  H     13.43547106     10.63625277    -12.98059409
  O     13.95509417     10.92427246    -12.21491492
  H     15.56966107      7.12737973    -17.52827035
  H     10.02116782      8.88718888    -12.93504228
  O      9.95681748      9.83373660    -13.15665625
  H     17.20146757      6.27733669    -15.97263776
  H      9.04734342     10.00344618    -13.38594836
          69
 Energy    -249.84543844031742     
  O     13.83603514     14.12855787    -14.22267247
  H     13.45861626     13.75261002    -15.02558764
  H     13.14401956     11.36415439    -15.35684697
  O     15.68775050      8.90060138    -17.70886998
  H     14.77722427     14.23879955    -14.41521049
  H     15.38400120     10.80591736    -17.82854839
  O     15.47133831      8.95152388    -11.55747597
  H     15.01827894      8.58779070    -17.07673883
  H     16.11287652     12.14634539    -17.57821044
  O     18.17335152     14.51730273    -12.40376664
  H     15.62748830      8.33885508    -18.47742276
  H     12.40011079     13.01023538    -17.26379212
  O     14.04334565      8.18419889    -15.63959120
  H     16.17180116      9.60106774    -11.41185220
  H     13.81493182     12.42059999    -17.05073002
  O     14.10975742      6.64007856    -10.78456118
  H     14.65050946      9.44344185    -11.70369997
  H     19.17290081     12.88492990    -12.82591948
  O     14.84701124      5.15199250    -12.93196159
  H     18.51715461     15.36121556    -12.12061850
  H     19.51186649     11.73734111    -13.81312907
  O     16.11449423     11.21575732    -14.13361515
  H     17.53549863     14.23355649    -11.72883546
  H     13.85043066     13.33219760    -12.58934550
  O     13.03862619     10.22832821    -12.06610919
  H     13.73513358      9.06151691    -15.36483665
  H     13.58765918     12.04596233    -11.74820691
  O     16.09307801      7.51361269    -13.84393856
  H     14.74012436      7.92977166    -15.01677227
  H     16.99028084      9.10463073    -16.38640098
  O     19.52732543     11.05666283    -15.60038990
  H     13.21715297      6.96671792    -10.95115667
  H     17.16647350      8.52351452    -14.95522355
  O     13.47008033     10.70041765    -14.73756006
  H     14.68382805      7.41455299    -10.87351914
  H     13.23804681      5.85699315    -13.74626386
  O     15.24498666     11.75541191    -17.75707867
  H     15.06993725      4.25202667    -12.71129713
  H     12.88448224      6.99298383    -14.72113927
  O     13.00513729     12.71115960    -16.59128697
  H     14.60647774      5.59584527    -12.09783874
  H     15.46367200     13.33504532    -10.98697390
  O     19.44651315     11.96104075    -12.87670603
  H     16.43939758     11.13444181    -13.22777637
  H     16.16098133     13.71971221     -9.65879054
  O     14.01473825     12.90896580    -11.73318874
  H     16.60722988     10.58779551    -14.67543776
  H     16.42362595     12.97470492    -14.50417529
  O     17.49661931      9.19535467    -15.56828752
  H     13.05632320     10.38760177    -13.02223591
  H     17.16574088     14.21982911    -13.95171857
  O     12.51279897      6.42556074    -14.03382565
  H     12.46599703      9.46539747    -11.92015273
  H     16.95578229     11.81409377    -11.09533632
  O     16.33053812     13.51182468    -10.57339251
  H     15.82587896      6.61328242    -13.62242306
  H     18.11802297     11.22879130    -11.94634580
  O     16.60139905     13.91398187    -14.67088271
  H     15.91637562      8.04910746    -13.05557466
  H     10.75293639      7.55447192    -11.62077296
  O     17.25800198     11.01942663    -11.55096644
  H     20.33581439     10.71243315    -15.97363861
  H     11.89142238      7.29812842    -12.63545997
  O     11.66273315      7.76616281    -11.81281225
  H     18.89043427     10.32304531    -15.59532661
  H     18.39031021     12.28667413    -16.61132560
  O     17.69014778     12.82145388    -17.00035926
  H     14.38137429     10.95202474    -14.51791604
  H     17.36234894     13.37685553    -16.27874541
          69
 Energy    -249.84490820229038     
  O     -6.88454198      1.33806179     -0.17922040
  H     -6.22499869      2.04654624     -0.15347115
  H     -0.51678216      1.88574898      4.10375696
  O     -4.58064608      2.03849022     -4.16446481
  H     -7.25359792      1.28708707      0.71127583
  H     -1.60055608      3.85454918      3.30581509
  O     -7.54119213      1.15620550      2.55646476
  H     -5.40542517      1.72932839     -3.74811110
  H     -1.55183808      3.99522989      1.77311316
  O     -1.50946213     -1.32088933      2.40340974
  H     -4.83125198      2.50995444     -4.95440144
  H     -4.37747765      2.47322665      0.60790826
  O     -3.12051771     -1.14416674      0.20163047
  H     -8.37716440      1.23175392      3.00885728
  H     -4.82925094      3.94357591      0.66096232
  O     -3.63606532     -0.65334163     -3.85382171
  H     -6.95353510      1.83360925      2.93754076
  H     -0.26943000      1.23311075      0.31340531
  O     -5.83619710     -1.26622830     -0.24262898
  H     -2.15868792     -1.42215623      3.11072673
  H     -0.37532551     -0.20534685      0.87330075
  O     -1.78458589      0.10670707     -1.88774913
  H     -2.02388853     -1.44066961      1.59155790
  H     -1.97259795      2.27190559      0.82773681
  O     -2.97444875      2.67026470     -1.93688375
  H     -2.70457850     -0.78975195     -0.59568250
  H     -1.65174156      2.95280729     -0.51426482
  O      0.27726701      0.63787126      3.19426326
  H     -4.05910013     -1.27181597      0.01238933
  H     -6.18264262     -2.52544735     -3.54769166
  O     -3.70752964     -1.39071060      4.22458860
  H     -3.88874632      0.24148772     -4.11349822
  H     -5.08096798     -1.46467331     -3.31122442
  O     -1.04311916      2.54203457      4.59410321
  H     -2.88603397     -0.54401553     -3.25463492
  H     -3.57032961      0.45061916      4.42005262
  O     -1.91423198      4.39766131      2.57364231
  H     -6.17815655     -0.36048836     -0.23715501
  H     -2.71396161      1.76475573      4.49766490
  O     -4.83109360      3.16348897      0.09481755
  H     -5.92701654     -1.58603315     -1.14897186
  H     -6.45004715     -0.40113695      2.67531343
  O      0.09467831      0.33763534      0.23202179
  H     -0.98460924      0.13231676     -1.34821999
  H     -5.87483706     -1.39602093      1.65794820
  O     -1.28537857      2.77656031      0.36061540
  H     -2.15813427      1.00019198     -1.88884509
  H     -3.31510475      0.44085820      1.14137598
  O     -5.94017319     -1.79230275     -2.98889036
  H     -3.65359663      2.90881213     -1.28946522
  H     -3.45681039      1.32603082      2.43010465
  O     -3.58031220      1.40438634      4.26821649
  H     -3.44315200      2.55364666     -2.77303823
  H     -3.58319849      4.86105268      2.33762696
  O     -5.85807308     -1.15892670      2.59327164
  H      0.73487296      0.75825476      2.35939147
  H     -4.63114499      5.99534321      2.26895269
  O     -3.36398417      1.34617557      1.47081621
  H     -0.32346351     -0.10887769      3.04474193
  H     -6.96476819      1.15133384     -2.04698194
  O     -4.52131261      5.05446915      2.16113441
  H     -3.88646122     -2.06343876      4.87619683
  H     -6.65084326      0.00743571     -3.03199730
  O     -6.77744181      0.96257709     -2.97569080
  H     -4.48491901     -1.35662117      3.63688496
  H     -5.06018454      2.44405359      3.95837016
  O     -5.81244866      2.94019791      3.60629955
  H     -0.53394507      2.78336476      5.36353239
  H     -5.44182887      3.70915437      3.15848416
          69
 Energy    -249.84482554328028     
  O     11.18132522     10.61933242    -13.29380084
  H     11.41359524      9.83076721    -12.77235359
  H     19.30140037     10.14182116    -15.20995462
  O     16.75314447      6.64475039    -14.05218074
  H     10.29193193     10.85735376    -13.04523387
  H     13.52327115     12.99652244    -16.56997932
  O     18.03227456     10.56152059    -12.06536399
  H     16.09393774      6.38734661    -13.39076207
  H     13.31702097     11.56959521    -16.01022116
  O     16.34902646     11.01531284    -16.09705035
  H     16.44176094      6.38082591    -14.92591816
  H     15.82302560      9.72882326    -14.94225186
  O     13.53882332      7.63009168    -15.52571891
  H     18.24833649      9.67104465    -12.38281416
  H     16.03869876      8.35324752    -14.22273460
  O     16.09891993      8.14864225     -8.46660009
  H     17.06856578     10.63633306    -11.99423067
  H     12.65019729      8.46000380    -11.34494160
  O     14.88196824      6.20980531    -12.06245739
  H     17.05364688     11.43654027    -15.58694922
  H     11.96192595      7.57814726    -12.40807634
  O     15.26681515     10.66070092    -12.06199482
  H     15.57067070     11.58700765    -16.08371811
  H     20.04046012      6.18110506    -10.17588028
  O     17.35140061      8.58243052    -17.08896712
  H     14.16292828      7.15358595    -16.08716730
  H     18.51504672      6.37985632    -10.35354623
  O     16.87032691      5.87335702    -10.03384614
  H     14.08839604      8.23948944    -15.00690055
  H     12.77666178      6.61100987    -14.28174897
  O     15.80059552      6.41807129    -16.72125781
  H     16.05206526      8.30250715     -7.52708886
  H     11.84771343      5.44727300    -13.85868669
  O     19.48752961      9.21960150    -15.41781914
  H     16.88478507      8.62390206     -8.79178613
  H     19.04269604     12.61492378    -14.37165579
  O     13.89952702     12.35027462    -15.97794585
  H     14.04933093      5.99222711    -12.49733007
  H     18.37234158     11.46882498    -13.58568224
  O     15.46424820      9.12715488    -14.27507916
  H     14.72470790      7.03677934    -11.58144455
  H     18.15915302      7.46394929    -13.34805433
  O     11.87183478      8.40158817    -11.91540957
  H     15.29740122     10.08818195    -12.84616762
  H     19.14990991      7.57410391    -12.15871460
  O     19.38515535      6.79326047    -10.49881160
  H     14.66490174     11.38239638    -12.28868228
  H     18.84066642      8.49768530     -9.79171836
  O     12.45830258      6.09689292    -13.52018089
  H     16.93387334      9.44781379    -16.99839069
  H     18.30182049      9.85952699    -10.27724745
  O     18.51028476     11.83029856    -14.47677672
  H     18.18076583      8.66433036    -16.59613339
  H     11.82314342     10.28246553    -15.01580378
  O     18.83473994      8.03097576    -12.94747871
  H     16.53842386      6.53130585     -9.40918655
  H     12.57740094      9.26613122    -15.90421038
  O     18.33856694      9.27374084     -9.51169015
  H     16.20071983      5.79919774    -10.72444380
  H     14.84370760      8.42946687     -9.79092541
  O     12.27071757     10.17894484    -15.86699159
  H     15.97769620      5.77621226    -17.40306606
  H     14.66486334      9.33435690    -11.04230634
  O     14.34614149      8.52728614    -10.61124458
  H     16.36278950      7.19259598    -16.91480750
  H     12.62145020     11.85963539    -13.11031667
  O     13.42398403     12.39749724    -13.11773789
  H     19.42800292      8.75406834    -14.57285752
  H     13.64471643     12.51520214    -14.04925307
          69
 Energy    -249.84413589183760     
  O     15.71437874     11.17684730    -10.49494734
  H     15.85758733     11.36832045    -11.43310412
  H     14.37825419     10.64760837    -15.89281916
  O     13.79462137      7.72082744    -14.93177974
  H     16.46548226     10.64086492    -10.22084351
  H     19.18707096      9.55787416    -12.93773269
  O     16.35371626      5.27249918    -12.09047409
  H     13.08670687      7.74710108    -14.27339286
  H     20.46885713      9.06971240    -12.22518041
  O     18.19685516      6.84743299    -13.47175894
  H     14.16779396      6.82965112    -14.92474284
  H     16.67040854      8.06130715    -13.58084324
  O     13.74036275     11.95737794    -14.67010717
  H     15.72821436      4.58096167    -11.82871916
  H     15.16729243      8.32000189    -13.91334620
  O     12.24165633      5.15727530    -10.17657862
  H     16.16006413      6.03464045    -11.52753208
  H     14.04315149     10.80049033    -10.19705934
  O     11.93936023      7.81598757    -12.88924799
  H     18.71922845      7.43819736    -12.91965744
  H     12.74752926     11.20316444     -9.45469950
  O     15.81769708      7.65755912    -10.76510277
  H     17.74240646      6.20785326    -12.90477876
  H     13.84660284      4.16124628    -14.46197439
  O     17.37766277      9.37011928    -16.66449515
  H     13.26128087     12.73782638    -14.93458431
  H     13.04475485      2.89009926    -14.81629736
  O     11.15452236      5.19101645    -12.84837297
  H     13.17332728     11.48218307    -14.03577162
  H     12.51711862     10.67993223    -11.90864515
  O     17.21647341      6.56669296    -16.04026361
  H     11.79190492      4.97256441     -9.35541616
  H     12.00814760      9.68890104    -12.97084575
  O     14.73682248      9.89829412    -16.38207998
  H     12.51306557      6.08873851    -10.14012849
  H     15.86189954      5.65129628    -15.30146069
  O     19.51643398      9.03833159    -12.18050483
  H     12.37038744      7.81328125    -12.02489552
  H     15.57800268      5.31342157    -13.81006596
  O     15.89335509      8.57470109    -13.32899691
  H     11.52187079      6.94695541    -12.97976165
  H     13.59830636      4.07328572    -10.98889783
  O     13.10025669     10.58203517    -10.08653255
  H     16.51150866      8.14687683    -10.31022611
  H     13.83442566      3.43672516    -12.37015142
  O     13.12735959      3.57997020    -14.16267025
  H     15.76100017      8.04258138    -11.65549831
  H     17.76691449     10.93919912    -13.93980254
  O     12.27804099     10.60705416    -12.83998069
  H     17.64526187      9.64649417    -17.53763714
  H     18.22807092     10.03988849    -15.10036473
  O     15.18595966      5.31413075    -14.69394179
  H     16.43361410      9.59581172    -16.58170869
  H     12.98903484      8.71756942    -10.11498719
  O     14.25506716      3.60349314    -11.51753730
  H     11.74032715      4.61951614    -13.36042294
  H     14.08103973      7.66738874    -10.39714131
  O     18.51853914     10.42361441    -14.26345351
  H     11.40925131      5.06867801    -11.92515204
  H     18.47090237      9.41077845     -9.16169583
  O     13.12303695      7.78054714    -10.30444405
  H     17.24462590      7.47178830    -16.37070380
  H     18.48640947      9.27684906    -10.70015539
  O     17.90427898      9.35729357     -9.92779577
  H     17.74668425      6.58059864    -15.22982982
  H     15.99831952     10.36383048    -13.29361121
  O     16.08152064     11.33061225    -13.24804917
  H     14.30816733      9.11231709    -16.01465134
  H     15.34283884     11.68814919    -13.75505911
          69
 Energy    -249.84337415877690     
  O     -0.61536241      3.36376760      2.67564548
  H     -0.13165190      2.53367646      2.77058244
  H      0.34502106      1.07749638     -0.35841384
  O     -2.74407823      5.99041222      0.21890103
  H     -1.39526850      3.20209623      2.12696095
  H     -0.43130554      4.78697010     -2.52619436
  O      2.37626055      6.94750536      1.43222756
  H     -2.49242416      6.48375339      1.00901768
  H     -1.15496115      3.88578067     -3.54825748
  O     -0.53078161      6.11243318     -1.40595847
  H     -2.01903977      6.10872046     -0.41330395
  H      0.81196487      9.33153473     -2.12731307
  O      2.67120774      3.14201945     -0.27430599
  H      2.80360552      6.47871055      2.15830392
  H      0.65599096      8.69360353     -0.72452271
  O      0.69528356      4.84869446      0.66967409
  H      2.83869557      6.78158057      0.59665685
  H     -3.29287590      2.09859694     -3.23310609
  O     -1.70252587      7.37678849      2.46573597
  H     -0.06039445      5.67739507     -0.67522667
  H     -2.51499281      1.38314864     -2.12376558
  O     -1.02716384      2.00009322     -1.16111276
  H     -0.09304675      6.95405120     -1.58100369
  H      2.48468252      2.29072294      2.71673793
  O      0.05084331      5.78757072      3.82371861
  H      1.96118326      3.71481667      0.05608875
  H      3.19239510      2.99725695      1.54564546
  O     -2.63669275      3.26118167      0.79342625
  H      2.80059178      3.41094061     -1.18949790
  H     -3.90391112      5.37361119     -1.16485271
  O      0.34115199      8.73905422      0.97060329
  H      1.19920915      5.58135759      1.05044299
  H     -4.67624912      4.06562281     -1.41011562
  O      1.14649052      0.81599707      0.11503063
  H      0.26235445      4.37371544      1.38912461
  H     -3.40378014      4.15527815     -4.82162642
  O     -0.32526816      3.98631893     -3.06600386
  H     -2.21308733      7.85598064      3.11416622
  H     -3.44615780      4.27351879     -3.28140105
  O      0.86868459      8.50445520     -1.65778091
  H     -1.06576994      6.83564563      2.96521597
  H      1.03196011      0.88298841      1.82910387
  O     -3.36515218      1.38606678     -2.58642987
  H     -0.70279437      2.66085810     -1.78654628
  H      0.98689551      0.23542792      3.23585560
  O      3.13765467      2.96989724      2.50993318
  H     -1.51746073      2.47226760     -0.47446298
  H      2.88349537      4.12043867     -3.69457512
  O     -4.31705124      4.84243592     -1.85690765
  H      1.01217904      5.75093047      3.86703242
  H      1.50038268      4.13336388     -3.01410135
  O     -2.97916544      3.85006789     -4.02414542
  H     -0.23687546      4.89351637      3.58635249
  H      3.58259674      5.46094294      4.39483152
  O      0.99679166      1.07468523      2.78473567
  H     -2.68309832      4.21407032      0.62659639
  H      3.04490991      4.51488144      3.29732828
  O      2.44633569      4.28870494     -2.86283978
  H     -3.46790262      2.88488222      0.47984384
  H     -5.71237213      1.82988896     -0.41703091
  O      2.95473320      5.40590422      3.67955101
  H      1.10225981      8.20797128      1.25264488
  H     -4.44428477      1.90674902     -1.30231043
  O     -4.92516599      2.34291639     -0.57593262
  H     -0.41721696      8.37835665      1.44226754
  H      2.88300753      5.89672840     -1.78720197
  O      3.05315790      6.66407841     -1.23030806
  H      1.79423607      1.50275914     -0.09380333
  H      2.40769888      7.33275630     -1.49377741
          69
 Energy    -249.84289117189650     
  O     -5.70291417      1.73875299     -0.02637392
  H     -5.76302990      2.37132243      0.69887807
  H     -3.11053644      0.83085795      3.11912439
  O     -5.34439877      0.05718464     -4.38800741
  H     -5.11999631      2.15611637     -0.67792116
  H      0.11313661      2.85669013      2.70788582
  O     -5.27956322      3.70468970      1.97454108
  H     -5.94116604      0.14540864     -5.12635489
  H      0.23179175      3.99927522      3.74283677
  O     -0.68846121     -1.02712078      2.59387003
  H     -5.88527561      0.12987958     -3.58082126
  H     -0.85543073      4.72423825      1.49768021
  O     -1.89898257     -0.94112050      0.05745325
  H     -5.71950898      4.04165926      2.75086117
  H     -0.64649920      4.62877650     -0.01722337
  O     -4.19719386     -2.29032799     -3.19886148
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  H     -3.16982064      2.54746491     -1.03566142
  O     -4.56320843     -0.69560682      0.79338911
  H     -0.41966542     -1.74509338      3.16066429
  H     -3.88900728      3.89042372     -1.26655518
  O     -1.73904438     -1.00667529     -2.68149321
  H     -1.56363361     -0.73261557      2.90616459
  H      1.56457420      0.75224493     -1.28876059
  O     -2.98629151      1.38398611     -3.63202918
  H     -2.83436305     -0.91159573      0.31119598
  H      2.89787865      1.14880293     -0.61783291
  O      0.78276840      1.36640251      2.08356486
  H     -1.38852249     -1.10441731      0.85937220
  H      0.85846427      2.69073803     -0.90896657
  O      0.79732666      0.21437318     -2.76149489
  H     -4.58882740     -1.59708409     -3.74435500
  H     -0.08970202      3.12842974     -2.05798496
  O     -3.17143399     -0.13110475      3.19672556
  H     -3.27773070     -2.02553752     -3.06484039
  H     -5.19679161     -2.46704759     -1.78006987
  O     -0.32369129      3.65865236      3.04715504
  H     -4.94836250      0.15604419      0.54389172
  H     -6.22292563     -3.29210102     -0.96636188
  O     -1.14344335      5.10468340      0.66032851
  H     -5.01775254     -1.37041773      0.27322132
  H     -2.59337299      2.33196514      1.64647925
  O     -3.81407818      2.98929855     -1.61250768
  H     -1.77133876     -1.04603672     -1.71312965
  H     -2.06657451      3.02201226      2.91402281
  O      1.95075792      1.20568450     -0.51831430
  H     -2.16347022     -0.18007646     -2.95047167
  H     -1.83525351      0.88194657     -0.00523181
  O      0.11279338      3.26563660     -1.12362383
  H     -3.75580944      0.95674596     -4.02688501
  H     -1.20530353      2.29278192     -0.28874373
  O     -5.79876025     -2.43981757     -1.01446086
  H     -3.33022543      2.00564421     -2.97058825
  H     -2.92625029      5.28446841      0.20424243
  O     -2.84530179      2.58507820      2.54872877
  H      1.20454872      1.25460717      1.22343324
  H     -4.36475289      4.90317895      0.63661154
  O     -1.99226173      1.83267267      0.03074341
  H      0.32974903      0.53681955      2.27815579
  H     -6.55545358      0.69979571     -1.35213616
  O     -3.84665792      5.24780791     -0.09829184
  H      0.03725700     -0.38173610     -2.76585023
  H     -6.58397277     -0.80628784     -1.67316820
  O     -6.74332689      0.06543275     -2.05564622
  H      0.50244798      0.99575632     -3.24505700
  H     -0.41111009      3.07365408     -4.60318511
  O     -0.49595446      2.54480282     -3.81366245
  H     -3.77287321     -0.41260946      2.49469468
  H     -1.38533283      2.15378557     -3.83610150
          69
 Energy    -249.84284127606279     
  O     13.24541015      5.91240856    -15.70490104
  H     13.49869735      6.07634597    -14.78552761
  H     18.74263294      5.56122117    -15.97451146
  O     18.38049207      7.21794948    -12.23990167
  H     12.76796726      6.69901364    -15.99057626
  H     18.44779852      8.72563358    -17.79787639
  O     18.76631872      7.13076977    -18.77307164
  H     19.20213105      7.16284969    -12.74268364
  H     17.59466993      8.67630883    -16.52920816
  O     16.18988460      6.28296213    -18.79514832
  H     17.91158584      7.98860326    -12.59102536
  H     15.65322718      7.77425535    -16.24961863
  O     14.70124950      8.46354647     -9.81411727
  H     19.16607616      6.95046640    -19.61934763
  H     16.62740726      6.75262835    -15.58943587
  O     14.12472743      6.51269722    -13.13556082
  H     17.85521173      6.78732480    -18.81619374
  H     13.93351438      9.92348996    -14.12109855
  O     17.11649350      9.30682048    -13.53831901
  H     15.61905305      7.03965384    -18.59873614
  H     14.44832477     10.45212605    -15.48994958
  O     17.09485775      4.97409326    -15.45495309
  H     15.80051010      5.53832573    -18.32333390
  H     16.47909290      5.32016549     -9.85076164
  O     13.63969786      6.02128622    -10.39821192
  H     14.25190744      7.60973133     -9.94871680
  H     16.33356549      3.83424920     -9.43827987
  O     19.52247750      9.91988276    -14.71044732
  H     14.30338985      8.86581543     -9.04621327
  H     12.64047329      9.06540791    -15.90887145
  O     14.92791471      4.33671122    -17.09271787
  H     14.98376262      6.07773585    -13.04481628
  H     11.30019947      8.75459783    -16.61968874
  O     19.53485316      6.06182569    -16.21606655
  H     14.26873640      7.46048367    -13.01283364
  H     21.46769529      7.06881907    -13.95191847
  O     18.10320454      9.28282459    -17.09048988
  H     17.94078849      9.70330835    -13.85311963
  H     20.21924690      6.85021807    -14.83788362
  O     16.37560700      7.68397870    -15.61780640
  H     16.79418982      8.73272933    -14.25179723
  H     17.24196112      5.85046014    -12.58509442
  O     13.66349795     10.14944302    -15.02128385
  H     16.88477383      4.86263863    -14.51713544
  H     16.38475213      4.75430421    -11.90324058
  O     16.03641351      4.48011163    -10.07296561
  H     16.37195231      4.60776840    -15.97994530
  H     16.42820272      7.57208329     -9.72215390
  O     12.18618887      8.42851384    -16.49082801
  H     14.32621474      5.36748531    -10.21676480
  H     17.69242043      7.10799015    -10.49079106
  O     20.54860998      7.30614511    -14.04224260
  H     13.60465405      6.10197021    -11.36151508
  H     15.90735017     11.73190043    -17.27197906
  O     16.57362392      5.16920132    -12.75334692
  H     19.20556452      9.79968538    -15.61540015
  H     16.68135633     10.42070398    -17.03057157
  O     17.14922950      6.93083834     -9.71103790
  H     19.98262758      9.10197384    -14.48253271
  H     15.52962098      9.37778988    -12.79008538
  O     15.80432981     10.83297746    -16.96860172
  H     14.47959127      3.53191180    -17.33709745
  H     14.59878408      9.10955242    -11.57556908
  O     14.60477610      9.23873029    -12.53130805
  H     14.27750819      4.88819196    -16.61953781
  H     14.96951317      9.28834172    -17.68353249
  O     14.65109018      8.38769271    -17.82434737
  H     19.37479364      6.40323229    -17.10269452
  H     13.73806991      8.36369797    -17.51126313
          69
 Energy    -249.84164066111768     
  O     12.83054047     12.55819888    -14.83381008
  H     12.70450542     11.73621068    -15.32310655
  H     17.99726881     11.81118809    -15.23928332
  O     18.26860715      7.72919415    -13.32431748
  H     13.40278152     13.09408863    -15.39449408
  H     15.42109839      8.28265470    -18.31911867
  O     18.35386876     12.60355850    -11.96096054
  H     17.68965384      6.97715563    -13.14829829
  H     16.41123012      8.37817962    -19.50447940
  O     16.29323538     14.54977390    -14.55284255
  H     18.22311245      7.88315547    -14.27437014
  H     16.51312886     10.39104377    -12.67001201
  O     16.32281788      5.67360556    -12.86741278
  H     18.32831715     11.65684010    -11.76687663
  H     15.67000643     11.67275709    -12.88996703
  O     15.87458664      9.28995436     -9.70126487
  H     17.45219990     12.92849547    -11.83361363
  H     13.89395708     10.50158668    -16.69384671
  O     14.87375885      6.95362064    -10.98270773
  H     15.79735622     14.30902297    -15.34425150
  H     13.31845929      9.73056161    -15.47404421
  O     12.86955065     12.75102431    -12.11700617
  H     17.19149428     14.21820936    -14.67388034
  H     17.27888314      9.57250046    -10.89297650
  O     13.99151059      7.68017861    -17.51044547
  H     15.80090982      6.10035568    -12.16414555
  H     18.09201486      9.06909018    -12.14410040
  O     17.56885214      8.41227435    -16.08094923
  H     16.48666517      4.77797145    -12.58535737
  H     12.89502014      8.48617130    -12.62880792
  O     15.36610058      6.96046020    -15.15452185
  H     15.08613926      9.79198206     -9.97586715
  H     11.57107566      7.91836712    -12.06060819
  O     17.37985350     11.09944038    -15.44392156
  H     15.96366041      9.41731675     -8.76006332
  H     14.66999363     13.31895543    -12.04083573
  O     16.24333041      8.70635930    -18.62535269
  H     13.98561028      7.25912055    -11.20314291
  H     15.77855742     13.87783707    -12.98840370
  O     15.81929919     10.77832802    -13.22243228
  H     15.28127573      7.67314444    -10.48505097
  H     18.77028400     13.04365713    -13.58850256
  O     13.07893424     10.13714286    -16.32152087
  H     12.12903378     13.29804941    -11.86677637
  H     19.74245447     13.64568285    -14.63127938
  O     17.85878795      9.84692281    -11.61506412
  H     12.83006732     12.65981784    -13.08542872
  H     16.18699906     11.20369349    -16.74213270
  O     12.44343049      8.21040228    -11.81090606
  H     13.47248444      8.43430783    -17.20398530
  H     15.74276727     10.43927978    -18.00463016
  O     15.62221886     13.35589688    -12.18439040
  H     14.34725483      7.25988129    -16.71508784
  H     13.05026041      9.73883362    -10.87469410
  O     18.87446653     13.26506850    -14.53258988
  H     17.61459390      9.34666058    -15.82928502
  H     13.33883591     11.24610990    -11.03979994
  O     15.50635672     11.17878632    -17.43328853
  H     17.29474204      8.41217215    -17.00592011
  H     14.94747301     12.85818604    -17.10114219
  O     13.56473510     10.47143067    -10.51226493
  H     15.64613487      6.38773636    -14.42974936
  H     14.38060842     14.24051200    -17.49001235
  O     14.65919854     13.71383311    -16.74436025
  H     16.15153082      7.44466846    -15.44952217
  H     14.41055038      8.23993560    -14.33149556
  O     13.91242341      8.97808182    -13.95381597
  H     16.80117174     11.00176914    -14.67249026
  H     14.55214221      9.63942671    -13.64840833
          69
 Energy    -249.84116356487806     
  O     14.64459485      9.54189855    -10.61961822
  H     14.38038360     10.14955760    -11.32388489
  H     12.41202150      7.31534463    -10.48315924
  O     12.63818789     10.36568550    -16.21680883
  H     15.38604383      9.92794612    -10.13740685
  H     19.66368560      7.80259120    -15.70996485
  O     16.51140837     10.77083403    -13.92688457
  H     12.66507117     11.22684166    -15.78187828
  H     18.16376092      8.00709348    -15.45668465
  O     13.46629800      5.11650507    -13.02465542
  H     12.50380154      9.71738876    -15.51302869
  H     14.07997328     12.80243227    -15.25858173
  O     17.16464729      7.61324924     -8.58863271
  H     17.15572098     10.73726038    -13.20605656
  H     12.89324023     13.71782237    -14.86990711
  O     15.63392868     12.45124485    -15.99179471
  H     15.63141956     10.77998347    -13.52893949
  H     13.42096958      8.09931809    -14.23655750
  O     15.93838174      7.45033967    -11.97925410
  H     14.09281145      4.91637251    -12.31518320
  H     12.15337821      8.12357044    -13.34970092
  O     13.89247177     10.88142621    -12.89816286
  H     13.95922180      5.60999886    -13.69255321
  H     14.72805286     10.15996986    -18.60216660
  O     18.64170235      7.68432399    -12.34120113
  H     16.37907855      7.05944346     -8.50389686
  H     14.08142186     10.21153890    -17.19890758
  O     18.22939019     10.43342594    -11.81246370
  H     17.83389609      7.09030145     -9.04441492
  H     10.69780048      6.41083902    -12.14407257
  O     17.90062486      3.93626477    -10.79978131
  H     15.50108232     11.79456963    -16.68607351
  H     12.19466838      6.14764386    -12.43386908
  O     12.93773090      7.56539425     -9.71498813
  H     16.10658508     11.98913937    -15.28442544
  H     14.05214209      6.59790423     -8.83625321
  O     18.97027171      7.62049506    -15.08035444
  H     15.71691439      6.60190454    -11.57154694
  H     14.40210514      5.69548323     -7.62665314
  O     13.20920423     12.82011279    -14.82149959
  H     15.49114055      8.15105543    -11.48903547
  H     16.19550439      4.49392095    -10.90248864
  O     12.66337534      8.64629171    -13.97879648
  H     13.59720868     11.63978122    -13.41583077
  H     15.10948644      5.18792592    -10.02640454
  O     14.93276656     10.20872365    -17.67239119
  H     13.42904475     10.10665204    -13.25126036
  H     19.11160272      6.80475673    -10.92406429
  O     11.56056073      6.81636588    -12.11638050
  H     17.67861674      7.61476590    -12.24291445
  H     20.12861073      6.48026133     -9.80187448
  O     14.75804991      6.05930370     -8.43266438
  H     18.84035417      7.61681524    -13.28492106
  H     15.46789700      7.57990744    -15.10725521
  O     15.33890314      4.94304748    -10.93188145
  H     17.86319386     10.44122018    -10.92040037
  H     15.28752692      7.23190552    -13.61582971
  O     19.24186700      6.29802490    -10.10231238
  H     18.52114850      9.52590624    -11.97093963
  H     17.07105425      9.30374741     -8.96385617
  O     14.89425511      7.10583137    -14.49384234
  H     18.42542753      3.47344933    -11.44948698
  H     17.13936250     10.76911735     -8.46895243
  O     16.97485591     10.23335643     -9.24015572
  H     18.42784640      4.70207743    -10.52695226
  H     16.10406851      9.22288745    -16.60683194
  O     16.60622483      8.83224357    -15.88192132
  H     13.45207579      8.34192772     -9.98005111
  H     16.61624401      9.49227600    -15.17006771
          69
 Energy    -249.84113448570525     
  O     15.87358251     12.32464054    -13.01970867
  H     16.51939914     12.16860835    -12.31945951
  H     13.56847080      7.71703829    -16.78187336
  O     14.15526323      6.63316989    -13.94189384
  H     16.35180451     12.19155565    -13.84609504
  H     17.32001034      3.08321177    -13.06155524
  O     16.12156649      6.78333097    -10.09897086
  H     13.98878717      6.59447254    -14.89398400
  H     16.39152730      4.26224267    -12.70081333
  O     18.72400767      7.89102843    -13.46387708
  H     13.40767720      7.06937920    -13.51051316
  H     19.20071161      9.67248366    -13.41587236
  O     13.22767594      9.60454138    -16.75999411
  H     15.33737745      6.85715722     -9.53741538
  H     18.71599694     10.97481454    -14.10644787
  O     13.60543777      7.25060774     -9.00682376
  H     16.27076432      7.67634130    -10.44288222
  H     15.42654888      7.88960258    -13.82657716
  O     12.17013114      7.79180677    -12.39189377
  H     17.78860182      8.12237319    -13.56496867
  H     15.99952535      9.08805270    -14.61987169
  O     16.20878397      9.33792331    -11.13803069
  H     18.78011490      7.30642026    -12.69321807
  H     14.19755691     12.00073291    -12.66835684
  O     16.66099913      7.11014948    -17.28883579
  H     12.61349530     10.00294009    -17.37053009
  H     12.86059801     12.67480926    -12.28849394
  O     12.37864978      5.39303779    -10.87207257
  H     12.85087735      9.71969349    -15.86846211
  H     12.58024937     10.60297156    -13.69988090
  O     17.89920512      5.87607175    -15.24032136
  H     13.44182207      8.11076009     -9.41410093
  H     12.04296049      9.15717484    -13.70081394
  O     13.89126859      6.81649200    -16.65213462
  H     13.06456420      6.62102937     -9.49805800
  H     17.80309413      6.21835083    -10.82266652
  O     17.23355812      4.03148657    -13.12478217
  H     12.02808036      6.97675556    -11.89627212
  H     18.21929517      5.26362319    -11.95651446
  O     19.21662227     10.63821965    -13.35393213
  H     12.62361987      8.40076163    -11.78855535
  H     14.70169096      5.55241083    -12.69008801
  O     16.04964137      8.62762367    -13.77580272
  H     16.14270399      9.17911032    -12.09221983
  H     15.38862534      5.62907430    -11.28357998
  O     13.26467844     11.82622314    -12.45124680
  H     16.82015858     10.07256813    -11.01477141
  H     17.74012218     12.35377042    -16.02455974
  O     12.24626505      9.90431779    -14.27655837
  H     17.09183305      6.82584370    -18.09052200
  H     16.95995260     11.03789927    -15.80831024
  O     18.51999870      6.01974144    -11.43866536
  H     17.09561143      6.63456534    -16.55771314
  H     14.45550606      9.48968574    -10.78716233
  O     14.95083973      5.03097133    -11.90890034
  H     13.24936390      5.12768495    -11.20993463
  H     13.29231653     10.40821263    -11.17957777
  O     17.45168525     11.74080637    -15.35247546
  H     11.88918138      4.58941022    -10.71487141
  H     18.49668055     11.97390082    -10.55215881
  O     13.49265530      9.58131564    -10.72503354
  H     17.64577992      5.18296261    -14.62098857
  H     18.47011780     11.23404401    -11.91320939
  O     17.91492866     11.55056615    -11.17666717
  H     18.35374043      6.54539486    -14.71085226
  H     15.04081820      9.74102541    -16.56865047
  O     15.99104271      9.68458084    -16.39873011
  H     14.80677677      6.81682945    -16.96017581
  H     16.29687965      8.84069562    -16.75833119
          69
 Ord_Energy   -249.840225    
 O   -6.63150072      -3.07685757      0.231309369    
 H   -7.19879627      -3.64442515      0.763765335    
 H   -5.86267042      -2.89311576      0.793709874    
 O   -1.05013478      -2.18341541       3.52333689    
 H  -0.561289310      -2.41421795       4.32260084    
 H   -1.57056332      -2.96945977       3.28629541    
 O   -7.41464281      0.165962309       3.00498676    
 H   -7.41682291       2.64108106E-02   2.04052091    
 H   -8.11095810      0.788963437       3.19517636    
 O   -2.64906454      -4.25504398       2.88528037    
 H   -3.08838248      -4.66120291       3.64532304    
 H   -2.75310063      -4.85476685       2.13625860    
 O   -3.56701946     -0.170842737       1.04193950    
 H   -4.01548195     -0.956647813       1.39445841    
 H   -2.64344883     -0.425920576      0.931654394    
 O   -7.85435677      -4.54185200       2.33947587    
 H   -8.60586548      -5.12497759       2.39973545    
 H   -7.05880070      -5.09593201       2.44730091    
 O   -3.70637465      -3.29028392       8.24493790    
 H   -4.26575232      -3.12035084       7.46791029    
 H   -4.29549789      -3.42658138       8.98236179    
 O   -1.97340739      -5.02706957       6.72573614    
 H   -1.25989139      -4.44611073       6.43857670    
 H   -2.48047495      -4.51646519       7.37029648    
 O   -7.33284903     -0.357481599      0.365286291    
 H   -7.22915459      -1.31222820      0.253985375    
 H   -6.67355633       4.49099205E-02 -0.212756574    
 O   -5.57047892      -5.94939423       2.63399720    
 H   -4.90582514      -5.92812347       1.93532705    
 H   -5.09670305      -5.88054276       3.47311568    
 O   -5.08177567      0.492302954      -1.13328373    
 H   -4.49686193      0.334757626     -0.371561646    
 H   -4.78344965       1.29599452      -1.55042315    
 O   -1.05239940      -1.38870239      0.891444325    
 H  -0.959042311      -1.62446868       1.82982171    
 H  -0.176579863      -1.18216896      0.574369907    
 O   -4.68363667      -2.44291377       2.11269999    
 H   -4.00832081      -3.08463311       2.36177683    
 H   -5.33666515      -2.40750670       2.82253599    
 O   -4.07882690      -5.29990387       4.97922611    
 H   -4.49212122      -4.47355843       5.26640844    
 H   -3.32319546      -5.42507219       5.57275724    
 O   -6.86739111      -2.41385198       3.91490173    
 H   -7.34003544      -3.08577991       3.40700030    
 H   -7.17515278      -1.53909528       3.64114785    
 O   -4.78263569      -2.30871153      -1.76426756    
 H   -4.89183140      -1.35199559      -1.71928811    
 H   -5.51930761      -2.67821765      -1.25928748    
 O   -1.76465273      -1.37608099       7.38826370    
 H   -2.25265312      -1.02068579       6.63111639    
 H   -2.38961053      -1.94212353       7.85769653    
 O   -2.61722755      -3.49111390     -0.515924931    
 H   -3.31661272      -3.04627323      -1.01869953    
 H   -2.08758998      -2.80617213      -9.84452367E-02
 O   -4.97025299      -2.78700352       5.85177946    
 H   -4.31894398      -2.13440442       5.55166769    
 H   -5.75931597      -2.65829086       5.30900860    
 O   -2.11103596E-02  -2.95390272       6.02998304    
 H  -0.566384912      -2.35593581       6.57256746    
 H   0.847345650      -2.96567869       6.42394686    
 O   -3.13740516     -0.901667118       4.99701643    
 H   -2.45513010      -1.24205709       4.40612268    
 H   -3.64216185     -0.228558317       4.51802254    
 O   -3.40883923      -5.76170206      0.694247007    
 H   -3.09078312      -6.51501656      0.203944176    
 H   -3.15528178      -4.97068787      0.183013126    
 O   -4.62807655      0.822978795       3.46613812    
 H   -5.57414961      0.673818588       3.35653329    
 H   -4.23203087      0.667873502       2.59831929    
          69
 Energy    -249.84015523773712     
  O     18.71477928     10.09627566    -15.40113180
  H     19.18510939      9.26654389    -15.57164868
  H     18.49538735      3.55970165    -13.95753048
  O     21.09886775      8.06434153    -13.04584129
  H     17.81287623      9.93237743    -15.69735959
  H     15.85824903      9.48256222    -13.13876486
  O     16.73106712      7.94050978     -9.78006518
  H     20.71826567      8.92899452    -12.85685069
  H     15.35455178      9.43042497    -14.60984317
  O     13.43323143     10.54909115    -11.74048475
  H     20.83458620      7.86908106    -13.95649161
  H     17.59441615      7.75339896    -13.03908493
  O     16.12115215      9.18267811    -16.27499503
  H     16.15160015      7.25234202    -10.14118835
  H     18.44554511      6.45001196    -12.99094334
  O     11.93987085      8.11753635    -11.58699133
  H     16.12109879      8.61201440     -9.44129649
  H     14.45040242      6.28702689    -13.68294535
  O     14.83655829      6.10688898    -10.65839164
  H     13.98087718     10.25257512    -12.48611008
  H     14.32679704      7.80606376    -13.39142222
  O     19.90669171      5.75531139    -12.14750817
  H     13.18560583     11.45158453    -11.92682615
  H     18.10237616      6.77498721     -9.57602976
  O     16.83695172      4.18179596    -10.79060159
  H     16.32590222      8.24761993    -16.45230792
  H     19.10011876      5.98241824     -8.70602688
  O     16.86055082      2.96622245    -13.20889436
  H     15.74082285      9.52849376    -17.07899625
  H     19.57015337      4.54955403    -17.39436096
  O     19.71767453      7.52549748    -15.43469028
  H     12.28873256      9.01658216    -11.64128404
  H     19.21306308      4.69109173    -15.89742064
  O     19.29078320      3.99210655    -14.29188891
  H     12.45770947      7.60403386    -12.22237973
  H     14.23331590      9.96579802    -10.04532408
  O     15.06100985      9.48479706    -13.69220694
  H     14.54537294      6.37084067    -11.54240068
  H     13.93125245      8.82921254     -9.05882848
  O     17.76727823      6.92100280    -13.49492731
  H     14.13803605      6.36761050    -10.04534503
  H     20.02132242     11.42970658    -12.80397098
  O     13.95681764      6.94120364    -13.16895435
  H     19.63028588      5.82507704    -11.22651610
  H     19.30525367     10.49053509    -13.80532981
  O     18.73300199      6.03671352     -9.58528769
  H     20.43986395      6.53915517    -12.35482218
  H     16.48269591      5.87122978    -14.09073494
  O     19.16517694      5.13713011    -16.76261716
  H     16.06078909      4.75618190    -10.72156138
  H     16.01018073      4.40164435    -14.10028640
  O     14.56331126      9.53461485     -9.24797519
  H     17.54805692      4.65399810    -10.34630890
  H     17.47607661      6.10625171    -16.88478268
  O     19.61984497     10.56893816    -12.88539991
  H     16.59855838      2.05613508    -13.10019782
  H     16.18761882      6.02432963    -16.06031662
  O     15.77296236      5.28449263    -14.40441314
  H     16.87668862      3.36075604    -12.31803210
  H     12.05787168      6.99587339     -8.57251243
  O     16.62593969      6.54058480    -16.75072698
  H     18.97990583      7.35235567    -14.82900735
  H     12.35543243      7.55404961     -9.98609511
  O     12.76515541      7.27634323     -9.14639707
  H     19.72590608      6.77464061    -16.03794766
  H     18.10856356      9.77791020    -12.21929897
  O     17.27976999      9.29001824    -12.13404908
  H     19.64789337      4.49731319    -13.55000170
  H     17.20602180      8.91449186    -11.24719962
          69
 Energy    -249.83991976369097     
  O     -0.73397434      1.93322952     -1.79331498
  H     -0.08663695      1.24605844     -1.57583515
  H     -2.30459670      0.39299091      4.37617134
  O      0.88472365      4.30294922     -1.30917013
  H     -0.25985233      2.76698268     -1.71229126
  H      1.21785578      0.45274684      4.53941070
  O      3.80692709      2.58573302      1.83055076
  H      1.81016658      4.05527232     -1.15970021
  H     -0.07073131     -0.00160341      3.78331148
  O      1.21425677      1.59753649      1.58366951
  H      0.89713239      5.07682556     -1.86814021
  H      3.87271021     -0.61768043      1.58288697
  O     -2.89776073      1.07164495     -0.40168287
  H      4.19540435      1.70872910      1.70228743
  H      5.41512483     -0.53497875      1.56056727
  O     -2.54745130      2.52078373      1.98604433
  H      3.81418145      3.03115285      0.97492330
  H      3.19311242      3.34675536      3.47074001
  O      1.12402198      0.14738879     -0.78745171
  H      2.09893197      1.96989975      1.69394861
  H      2.45495765      2.95704770      4.77536509
  O     -1.81696851     -1.12222570      1.10534387
  H      1.06043185      1.02164887      2.34372377
  H     -3.35085133      3.13898868      3.55666827
  O      3.56545554      3.54985993     -0.88657190
  H     -2.15119304      1.41351332     -0.92507019
  H     -2.95828060      3.97126197      4.80131867
  O      0.43521389     -2.35394638      0.27020306
  H     -3.64109236      1.00595664     -0.99539387
  H      0.14889850      4.79940590      2.81566111
  O     -1.53428363      4.94547854      5.54343050
  H     -2.80179773      2.05910824      1.17749382
  H      1.23806911      4.70563986      3.90717766
  O     -1.83531911      0.29181720      3.53960570
  H     -1.80774393      3.09645791      1.74588383
  H      2.21542498      1.34954771      6.68580863
  O      0.89529517     -0.05614069      3.78424013
  H      1.13203370      0.63804195      0.04959368
  H      0.86725478      1.89511797      6.16047949
  O      4.62566737     -0.06157526      1.31237482
  H      0.91245386     -0.76678874     -0.56530098
  H     -3.89691953      0.80330878      6.41248895
  O      2.71101915      3.70675986      4.22472657
  H     -2.20633414     -0.44394686      0.54053409
  H     -3.41286922      1.88744578      5.41713782
  O     -3.60112359      3.32947891      4.47088998
  H     -1.87411394     -0.78003724      2.00669733
  H     -1.50412537      1.89504205      6.45035627
  O      0.38863765      5.11863903      3.69387558
  H      3.64958007      2.60091137     -1.09577669
  H     -0.95744154      3.32517432      6.28683085
  O      1.74186086      1.56351860      5.88623401
  H      4.31645723      3.98543173     -1.28244424
  H      2.84281797      0.56218085     -1.23797503
  O     -3.14782821      1.07672161      5.89103523
  H     -0.39526413     -1.96259477      0.59829591
  H      4.16499225      0.48586503     -0.45832857
  O     -0.71485726      2.43483747      6.57269207
  H      0.21646355     -3.21792296     -0.06749975
  H      0.02934617      4.18181089      0.38581935
  O      3.75440341      0.88886198     -1.23329192
  H     -0.83707115      5.04473264      4.86880870
  H      0.22702247      3.05270554      1.41325498
  O     -0.25780803      3.87843483      1.25297747
  H     -1.59541845      5.78093110      5.99781428
  H      1.86678286     -1.93519465      1.46567540
  O      2.50766650     -1.56561931      2.08415913
  H     -2.02114924      1.09156290      3.02624995
  H      1.98306967     -1.13942656      2.77659125
          69
 Energy    -249.83989602656391     
  O     14.25516502      6.54784325     -8.29735277
  H     14.79213241      5.90378773     -8.77362460
  H     12.33317179      6.27496126    -15.12469625
  O     13.61080838      5.19634289    -15.84911913
  H     13.32863160      6.33351731     -8.48458791
  H     16.41839040      8.30220812    -12.31496435
  O     16.97362240      6.38674607    -14.79438632
  H     14.21587537      5.75964097    -16.34902237
  H     16.09802307      9.38651603    -13.42920988
  O     15.63211650     11.01838333    -14.11440716
  H     14.16951412      4.65476847    -15.28125483
  H     14.47678217      7.85447753    -12.93427293
  O     10.11800622      6.60035323    -12.41874681
  H     16.61968244      6.52690592    -15.68045507
  H     13.30767320      8.23560846    -11.98761098
  O     17.44055917      3.46589173    -11.84728848
  H     16.68316876      7.15444210    -14.27576486
  H     11.42508744      5.37116517     -9.66096183
  O     11.15881394      4.25222158    -11.20201734
  H     16.00752053     11.89281598    -14.16065059
  H     11.19246058      6.85942191     -9.36434727
  O     16.77005434      7.61331651    -10.69778651
  H     14.72459504     11.11539900    -13.77115677
  H     14.24317214      4.56328503    -12.74117144
  O     13.08387232     11.05729121    -13.24782229
  H     10.58292321      6.67733186    -13.26133147
  H     13.59193348      5.85937078    -12.18991237
  O     14.54522515      9.39542401    -16.25957869
  H     10.35386400      5.73516023    -12.05951851
  H     15.14891479      7.85786746    -16.82239562
  O     11.83296076      9.57064847    -15.37272943
  H     17.91357348      4.29400530    -12.04764706
  H     15.66167725      7.04553436    -18.03397518
  O     11.86383198      6.95169146    -14.61770988
  H     18.10520402      2.79624164    -11.71058779
  H     16.03924525      4.91900370    -14.23641859
  O     16.14783598      8.44313747    -13.23379443
  H     12.06596993      4.38996567    -11.52701348
  H     16.15022211      3.70992165    -13.29265709
  O     13.61004628      7.56974805    -12.61709583
  H     10.98624754      3.31591119    -11.25119104
  H     18.14119298      6.59086373    -11.84981700
  O     11.63856674      6.07134873     -9.03316504
  H     16.42611979      6.72376193    -10.52913018
  H     18.14276652      6.09731895    -13.31587665
  O     13.65552882      4.90198344    -12.05244867
  H     16.27165758      8.19665361    -10.11282567
  H      9.55483174      8.65327310    -10.08425696
  O     15.47634087      6.98395730    -17.10068450
  H     12.94087428     10.62923191    -12.39297208
  H     10.26388137      7.75219917    -11.12325182
  O     15.55353712      4.14513115    -13.91320124
  H     12.55503930     10.57826794    -13.89767560
  H     16.34701508      4.40207941    -10.57771869
  O     18.48779311      5.90659504    -12.43257244
  H     13.60791658      9.48320166    -16.04688608
  H     14.93264922      4.97578521    -10.75632820
  O     10.40933501      8.31878690    -10.34376015
  H     15.00919776      9.96555202    -15.63647471
  H     15.15505345      9.54978754     -8.26002791
  O     15.72403553      5.03388535    -10.20133434
  H     11.75488894      8.62464508    -15.16221113
  H     14.65580960      8.15117633     -8.69937323
  O     14.91515441      9.03422049     -9.02551124
  H     11.04845913      9.80861481    -15.86038149
  H     13.50326752      9.44415580    -10.17842683
  O     12.84264489      9.57066192    -10.87169416
  H     12.46958676      7.20242226    -13.90157802
  H     11.99790697      9.20770544    -10.57180772
          69
 Energy    -249.83977032510234     
  O     11.47557422      7.70562444    -15.13366470
  H     12.27674130      7.30702571    -15.50251750
  H     17.21975563      6.44985219    -13.69453418
  O     16.58837789      7.48702658    -12.32161656
  H     11.48136376      8.62299918    -15.42966020
  H     18.99639001      9.34023815    -11.98123297
  O     15.11902524     12.25147920    -13.16797636
  H     17.01215872      8.22372130    -11.86541794
  H     19.70558635      8.17013230    -12.67472878
  O     16.28267228     10.87290905    -15.30878313
  H     15.91017799      7.15136034    -11.72023092
  H     14.61107372      9.53086072    -17.57271954
  O     14.93124772      4.49442129    -14.68342031
  H     14.28236279     11.76738297    -13.19239750
  H     14.96868329     10.69960881    -16.64389584
  O     14.30193727     10.15488254     -9.28838941
  H     15.61239515     11.94226809    -13.93917601
  H     15.54049897      8.24228385    -13.57198329
  O     14.61638449      6.85406035    -10.48858875
  H     17.22806793     10.69229793    -15.35600550
  H     14.62408511      8.02087659    -14.81628559
  O     13.02505994     10.41613084    -13.37692263
  H     15.87129345     10.06826040    -14.95424609
  H     11.25487093      7.17296349    -13.50709305
  O     17.71391381      7.76293568    -16.56531535
  H     14.82320786      3.55902164    -14.83298174
  H     10.29832063      6.51513880    -12.48515772
  O     16.16380720      8.32591437     -8.60316439
  H     14.43733052      4.70567478    -13.87030735
  H     17.18870630     10.36540659    -10.76415760
  O     18.97422522     10.02584039    -15.28690856
  H     14.79284239     10.80780309     -9.80347458
  H     17.32533200      9.07102743     -9.93224527
  O     17.40142763      5.94653087    -14.50000689
  H     13.62909251      9.78028999     -9.87137123
  H     12.68554501      5.66162393    -12.56785425
  O     19.53113518      9.10728829    -12.75433622
  H     15.13074376      7.18609351     -9.74360759
  H     13.94931052      5.58071497    -11.70293101
  O     14.25470806     10.33994953    -17.18730476
  H     13.96662643      7.53955189    -10.70670283
  H     15.77269102     12.03069372    -11.61134676
  O     14.97178054      8.68778043    -14.21176345
  H     12.47839823     10.53680595    -14.16183772
  H     16.34969496     12.69937185    -10.34292663
  O     11.18920212      6.83679956    -12.59460583
  H     13.71332964      9.78078636    -13.63742213
  H     16.30960507      7.86223855    -17.53743960
  O     17.66870656      9.52729676    -10.71081809
  H     17.65706123      7.09144826    -15.86881442
  H     15.68255349      7.62806958    -18.93309835
  O     13.52286368      5.19057693    -12.47616435
  H     18.18770483      8.51058435    -16.18768460
  H     12.76332903      9.43525079    -11.89115158
  O     16.11194394     11.85432603    -10.71548708
  H     16.27009888      8.23308986     -7.66039487
  H     12.07472599      8.11253619    -11.53444135
  O     15.47240975      7.87897855    -18.03804418
  H     15.47566123      9.00291703     -8.74594592
  H     12.68423245     10.40097337    -16.41524024
  O     12.68040659      8.77836079    -11.18423792
  H     19.76248169     10.45096667    -15.61601793
  H     11.26857360     11.01932592    -16.41457765
  O     11.83797850     10.42526681    -15.93339402
  H     19.17635720      9.73198424    -14.38328845
  H     14.44167276      7.03807014    -16.77121750
  O     13.94555167      6.76793117    -15.98755549
  H     16.64867582      5.35142046    -14.59766261
  H     14.30902100      5.93455000    -15.66221878
          69
 Energy    -249.83971607035124     
  O     -1.00755530      3.65309919      2.67451658
  H     -0.35961415      2.96707685      2.87651699
  H     -0.79880109      8.38770879      0.84748165
  O     -2.87672702      5.69372610     -0.40629649
  H     -1.67180855      3.30075648      2.06597455
  H      2.04178777      2.07622775      0.00456360
  O      4.07796679      5.89031669      1.84137320
  H     -2.06682100      5.82363228     -0.92157437
  H      0.72923343      1.29517926      0.10440576
  O      1.73207158      7.32848171      2.32876638
  H     -2.85411624      6.36509445      0.28641135
  H     -0.80562845      3.29352871     -3.34033295
  O     -0.38946639      5.93050613     -1.53909162
  H      5.01232428      6.02701008      1.97487327
  H     -0.21678562      4.37299207     -2.40337081
  O      2.17414023      3.71841288     -0.99227636
  H      3.92068905      5.98150404      0.88455102
  H      0.93842023      8.36264684     -0.87721649
  O      0.59566702      5.10858773      0.88917158
  H      1.49638268      7.15496850      3.24892230
  H      1.57595778      8.81929306     -2.21199575
  O     -2.42832508      7.63243961      1.59129532
  H      2.62241395      6.97675590      2.19825873
  H     -2.81016521      1.38125052     -3.16550089
  O     -0.86170957      1.62386497     -0.78343472
  H     -0.08890610      5.66251420     -0.65513472
  H     -2.17942693      0.82167568     -1.88339050
  O     -1.44696203      6.19597719      3.66948288
  H      0.16493926      6.67951261     -1.78578631
  H      3.09844562      4.71735493      3.10262246
  O     -2.78813875      3.09620057      0.64534897
  H      1.65779999      4.14082925     -0.28727592
  H      2.16737899      3.55430059      3.55054639
  O      0.07903899      8.69084302      0.59089765
  H      1.56233415      3.56344918     -1.72324843
  H     -4.59127843      3.48582423     -1.89320734
  O      1.59572438      1.39598470      0.52345968
  H      0.04366304      4.60901601      1.50289895
  H     -3.87161676      4.84142231     -1.76170659
  O     -0.07720240      3.47192310     -2.73272302
  H      0.95650236      5.85789352      1.37733401
  H     -3.10491863      3.50961345     -3.57529217
  O      1.41662500      8.05248989     -1.66852288
  H     -2.08197145      7.14005810      2.35708319
  H     -2.75265416      3.18752937     -5.04662620
  O     -2.95946051      0.74976380     -2.45090592
  H     -3.06685186      8.25251168      1.93508731
  H      1.32731480      1.18821855      3.64069898
  O      2.56513797      4.38600459      3.83458024
  H     -0.54599255      2.23716312     -1.46310324
  H      1.39364994      1.72865574      2.19260585
  O     -4.21719611      4.21181155     -2.40769845
  H     -1.49455812      2.11965844     -0.24692336
  H      1.61613597      5.62988328      4.60331099
  O     -2.48265814      3.02474718     -4.14671133
  H     -1.39546669      5.26540897      3.40758263
  H      1.40838671      6.60508526      5.78753798
  O      1.20333939      1.97458089      3.11592299
  H     -0.65801046      6.35068623      4.20081055
  H     -5.61597610      1.33584211     -0.72005673
  O      1.11110088      6.40770763      4.90381324
  H     -3.56279395      2.64384173      0.28986871
  H     -4.23943775      1.38110802     -1.42778803
  O     -4.84312456      1.87872578     -0.84705124
  H     -2.82037980      4.00408063      0.30981468
  H      3.13261694      5.31749999     -1.02830782
  O      3.47027106      6.19008308     -0.78189264
  H      0.68532965      8.34001000      1.26027117
  H      2.83341256      6.83489011     -1.11006560
          69
 Energy    -249.83962323087582     
  O     11.63182209     10.66110634    -15.64728287
  H     11.98864628     11.52449513    -15.40962950
  H     16.04438521      6.49511765    -14.71722962
  O     15.50024763      7.15708959    -13.14871766
  H     12.32550562     10.21931418    -16.15702288
  H     18.66898260      8.38187264    -13.63367390
  O     15.96340853     11.99917200    -11.53653214
  H     16.06092186      7.39958649    -12.40084268
  H     18.18202705      8.48304815    -12.16334078
  O     17.18072491     11.07259929    -13.95750872
  H     14.65042856      6.88097662    -12.78177295
  H     16.17743325     12.32531848    -15.12335957
  O     13.70986343      6.58165940    -16.80407575
  H     16.50907976     11.83497260    -12.31429419
  H     15.62751087     12.09238064    -16.54229909
  O     13.68296902      8.79459526     -9.23815341
  H     15.04862400     11.90280780    -11.83717744
  H     15.07944085      8.72617617    -13.89716648
  O     13.10612457      6.55451575    -11.90830212
  H     16.35906764     10.57314568    -14.09856615
  H     14.49311718      9.51040422    -15.11887685
  O     13.49313917     11.35389619    -12.65276667
  H     17.78336058     10.45392057    -13.51481588
  H     10.89554417      9.56289975    -14.53061479
  O     18.07607816     10.00635298    -16.45368929
  H     13.33024938      5.95348541    -17.41292495
  H      9.57896683      8.91672978    -14.04010636
  O     14.73843712      6.32891990     -9.58376760
  H     13.15316279      6.56395589    -16.00405711
  H     16.69918276      8.64542490    -10.40858413
  O     18.72639499      7.48340298    -15.34660102
  H     13.05946948      9.01899779     -9.94019152
  H     16.32114040      7.15553567    -10.37202973
  O     16.31668316      6.30577960    -15.62838275
  H     14.43877555      9.38941855     -9.32862090
  H     12.45049438      6.39865285    -13.68883474
  O     18.58019493      8.98405094    -12.88347583
  H     12.77781262      7.45475879    -11.76282919
  H     11.55519989      7.38732487    -14.44350791
  O     15.50945789     12.62862926    -15.74896592
  H     13.57204283      6.29615197    -11.10388323
  H     16.11096711     10.87898798    -10.24019226
  O     14.87006520      9.60605658    -14.23598539
  H     13.95218413     10.69636036    -13.20232608
  H     16.60804410     10.58323638     -8.80749177
  O     10.52532947      8.89574169    -13.92467641
  H     13.18596169     12.03320361    -13.26411405
  H     16.23042981     11.04029634    -18.79839108
  O     16.88587711      7.79315774    -10.82699600
  H     17.91849575     10.48286099    -15.62931574
  H     16.75520222     10.44146262    -17.47092467
  O     12.16241437      6.64864706    -14.57517315
  H     18.35679604      9.12279103    -16.18574221
  H     12.59349836      9.99771865    -11.86971415
  O     16.15085691     10.19495741     -9.54907051
  H     14.66648895      5.78179752     -8.80629843
  H     11.46090901      9.05965279    -12.29487328
  O     15.95792545     10.76878441    -17.92612951
  H     14.33606813      7.18954850     -9.36220109
  H     13.87417905     12.94239283    -15.17707348
  O     12.13294227      9.18557475    -11.61266610
  H     17.88066287      7.02879423    -15.50977109
  H     12.75357295     13.97817344    -14.93292326
  O     12.97087824     13.05538080    -14.83191426
  H     19.41710563      6.86811180    -15.57813665
  H     14.53130880      9.77938392    -17.31243204
  O     13.81237861      9.37484704    -16.80982606
  H     15.50708742      6.34635229    -16.14719791
  H     13.82626116      8.41956454    -16.95198697
          69
 Energy    -249.83929714379653     
  O     19.67048339     11.61414646     -9.52613246
  H     19.29294797     10.90405500     -8.97517193
  H     18.08827814     10.23999846    -11.97400016
  O     17.99335068      6.07406869     -9.90036425
  H     19.51328839     12.43405788     -9.06658560
  H     21.85969524      9.37777515     -9.38107981
  O     19.18046874      3.70779642    -12.62401702
  H     18.54782412      6.71066840    -10.37956411
  H     21.39562494     10.79138134     -9.76287016
  O     20.62050280      6.02232679    -13.23914365
  H     18.57704684      5.33981536     -9.66399611
  H     19.52422665      7.69763119    -16.15082902
  O     20.94429215      7.85257689     -8.81051428
  H     19.05244823      2.84421178    -13.00823651
  H     19.93229965      8.37605430    -14.81846797
  O     16.86815532      5.09677058    -12.21151147
  H     18.29795436      4.10817177    -12.53597422
  H     19.80535744      3.85636979    -10.71832782
  O     22.93400427      6.55018565    -11.78792340
  H     20.16036564      5.18383364    -13.10381623
  H     20.74799928      4.48858050     -9.66074491
  O     13.77881468      7.63782162     -9.91320177
  H     20.24800821      6.44713778    -14.02169486
  H     15.12502580      7.51513038    -14.15451239
  O     22.35898077      5.45232998     -9.37500355
  H     20.53181688      7.84699241     -9.68930352
  H     13.92168520      8.24626034    -13.53136568
  O     19.65586162      7.77127762    -11.24800132
  H     21.44838223      7.03293421     -8.76718946
  H     15.53713745      9.61825244    -12.00908857
  O     18.71339663      9.49467122     -8.14616250
  H     15.90129822      5.12525135    -12.16727329
  H     16.67890988      8.72670964    -12.56901410
  O     19.03549689     10.43656640    -11.98513551
  H     17.19573820      5.41136841    -11.35582849
  H     17.02704261      6.59371275    -13.28692388
  O     22.12037953     10.16631607     -9.87664670
  H     22.22618563      6.28170506    -12.39000645
  H     17.79868892      7.49400504    -14.30404780
  O     19.43863511      7.62792033    -15.20401483
  H     23.06319395      7.49309837    -11.94457341
  H     23.89419769      9.81026553    -12.45364895
  O     19.87410253      4.09686289     -9.78757896
  H     14.68785792      7.81901611     -9.61961094
  H     22.74611831      9.68772587    -11.42725556
  O     14.16152746      7.49027871    -14.07974782
  H     13.28055563      7.40303866     -9.13424934
  H     16.90187375      7.38186904     -9.45094657
  O     16.47669251      9.42085729    -11.92226644
  H     23.14207388      5.05907530     -8.99909497
  H     16.52079202      8.67627980    -10.22932037
  O     17.00271113      7.43515061    -13.76369091
  H     22.62187194      5.83646569    -10.23084769
  H     13.58621714      8.85183304    -11.27372226
  O     23.07069912      9.35919111    -12.28462260
  H     19.50654838      8.67026836    -11.56245119
  H     12.93811068     10.09489108    -11.92481381
  O     16.41189439      8.21674129     -9.38359543
  H     20.04414160      7.25098134    -11.96212564
  H     20.16252437     10.04952283    -13.36016330
  O     13.66087363      9.47824574    -12.01170199
  H     17.90105800      9.05940782     -8.42767456
  H     21.59906421      9.50004226    -13.47388174
  O     20.77323514      9.60060713    -13.96232844
  H     19.41972221      8.83551257     -8.18260953
  H     14.00189633      6.17159574    -11.26207332
  O     14.19271009      5.60235443    -12.01407344
  H     19.24000377     10.93783001    -11.18572287
  H     14.05795098      6.15430924    -12.79893360
          69
 Energy    -249.83917148091808     
  O      0.04808679      0.78891456      2.43566313
  H     -0.68337964      0.15768959      2.39825905
  H     -2.51601968     -2.68223516      5.26918282
  O      1.56149639      4.07573993      4.48136735
  H     -0.29956811      1.61737082      2.79576066
  H     -4.82693013      0.71052841      1.21219623
  O      0.71895055     -3.51146899      6.62254657
  H      1.50788546      3.84155506      5.41479416
  H     -4.00793210      1.47473928      2.27969025
  O      1.11154688     -1.24702173      8.40894865
  H      2.37376352      3.67772891      4.14283907
  H     -5.07431614      2.86104641      6.24541082
  O      1.95085584     -2.73017767      4.26494951
  H      1.28783275     -3.31655671      5.86256580
  H     -4.53781006      1.62202371      5.49018091
  O     -2.05921776     -1.01650695      2.62022225
  H      0.88224905     -2.81773140      7.26933764
  H     -1.45678831      1.39636557      6.61377500
  O     -0.32557952     -3.28613135      2.84988783
  H      1.44929125     -1.32295623      9.29780908
  H     -2.52628885      2.47922159      6.30358455
  O      2.78268228      0.72766817      1.88000944
  H      1.63822720     -0.55960332      7.96868645
  H     -4.26868397     -0.64480030      4.98226169
  O      3.89673407      2.82455584      3.49182729
  H      1.26327360     -2.96305961      3.62033100
  H     -4.81001508      0.17011770      3.79091323
  O      4.52872926      0.72450556      5.10791577
  H      2.71677440     -2.37085590      3.80092894
  H      0.02371542      2.97637036      6.96680903
  O      4.05354207     -1.31866076      3.10257633
  H     -2.81788784     -0.53550181      2.26630153
  H      0.88708524      3.89280080      7.85945904
  O     -2.81944805     -1.76631673      5.23663139
  H     -2.29408115     -1.25226428      3.52861209
  H     -2.59320178      3.11975657      3.13546690
  O     -4.27914842      0.58746381      1.98253757
  H     -0.89235900     -2.55429855      2.57682051
  H     -3.88704423      2.97983592      3.95052960
  O     -4.30331259      2.51437848      5.80446298
  H     -0.79204996     -3.72093142      3.57499453
  H      0.64190617      0.15120829      4.01268812
  O     -1.57817073      2.33773174      6.42167092
  H      1.81736526      0.75847410      1.92663307
  H      1.21979090     -1.14351827      4.66273107
  O     -4.86203846      0.08255730      4.75059164
  H      3.10273934      1.53128422      2.30755146
  H     -1.75619098     -5.15402779      5.50347392
  O      0.93891292      3.21540173      7.18897381
  H      4.68483672      3.30097646      3.24273910
  H     -0.75607495     -4.02106788      5.83439422
  O     -3.54562156      2.97498940      3.04855658
  H      4.17652688      2.11904898      4.10100613
  H      1.95799073      1.63288455      7.10074942
  O      0.86355106     -0.26554986      4.85375844
  H      4.40153311     -0.06355982      4.56542988
  H      1.86015584      0.44332309      6.11827426
  O     -1.53576256     -4.24978511      5.29694208
  H      3.89584200      0.67574362      5.83531062
  H     -0.01976487      3.51477803      3.87977744
  O      2.32281196      0.75933957      6.91250704
  H      4.77168411     -1.62083142      2.55268216
  H     -1.12268342      2.75165593      4.64583144
  O     -0.85319360      3.03513694      3.76259123
  H      3.58942281     -0.62358492      2.60062900
  H     -0.42975865     -0.33724114      6.03814006
  O     -1.03860102     -0.33923234      6.79638891
  H     -2.27482576     -1.27843920      5.87029379
  H     -0.51897984     -0.67237779      7.53563615
          69
 Ord_Energy   -249.838394    
 O   -10.7713404      -14.9361620       7.00531101    
 H   -11.0382061      -15.8080254       7.28263521    
 H   -10.2494717      -14.5537825       7.73681688    
 O   -11.0491533      -8.55270576       8.07717228    
 H   -10.4195070      -8.62767315       8.80515099    
 H   -10.5370188      -8.64562416       7.26127958    
 O   -7.13285303      -9.61532593       8.23514366    
 H   -7.12611771      -10.5658674       8.05524158    
 H   -7.00307894      -9.19023132       7.37976456    
 O   -6.93758440      -8.61180496       5.55425549    
 H   -6.31498528      -7.98732376       5.19293737    
 H   -6.88039637      -9.41509628       5.00367975    
 O   -9.71065617      -8.92228031       5.66496181    
 H   -8.79117298      -8.64205074       5.59667349    
 H   -9.69868279      -9.89279461       5.68592215    
 O   -12.0665493      -8.64004517       4.28584480    
 H   -11.2090216      -8.68357086       4.73731518    
 H   -12.5738745      -9.42356682       4.54469538    
 O   -6.59846354      -13.5187302       5.06739759    
 H   -6.00434113      -14.2186604       4.80967617    
 H   -7.50097036      -13.8387003       4.89661264    
 O   -13.2615509      -7.52828503       6.65503073    
 H   -12.5193129      -7.70131493       7.25079727    
 H   -12.9163704      -7.67262506       5.76528978    
 O   -7.50899458      -12.2529373       7.43485498    
 H   -7.00932217      -12.7098808       6.74868298    
 H   -8.32260132      -11.9481697       7.00388861    
 O   -12.2602539      -12.5688944       6.67633343    
 H   -11.8991556      -13.4361343       6.89278173    
 H   -12.4231672      -12.0669403       7.48859406    
 O   -12.7898340      -10.6715984       8.61081505    
 H   -13.6449633      -10.3852673       8.26971626    
 H   -12.1749144      -9.94608212       8.42133045    
 O   -12.7359104      -11.8650875       2.50571775    
 H   -12.3355522      -11.0685167       2.13464856    
 H   -13.1852150      -11.5832720       3.31280184    
 O   -13.6231642      -10.8819227       4.99819231    
 H   -13.1482582      -11.5531645       5.51146078    
 H   -14.2475119      -10.4790497       5.61283445    
 O   -14.9839735      -9.57214546       7.13114262    
 H   -15.8698730      -9.28475475       7.33387899    
 H   -14.4528646      -8.76793957       6.98595285    
 O   -9.13351059      -11.2608185       2.42455959    
 H   -9.79504585      -10.5978079       2.19370914    
 H   -9.58205223      -12.1094151       2.34785485    
 O   -11.3178434      -9.49118805       1.79608762    
 H   -11.4155712      -8.82765770       1.11820579    
 H   -11.5859022      -9.07718563       2.63389540    
 O   -9.11472702      -9.12983799       10.0072851    
 H   -8.75436306      -8.69179440       10.7735386    
 H   -8.37160587      -9.28197765       9.39591312    
 O   -9.77832127      -11.6230307       5.91084051    
 H   -9.52016640      -12.3165846       5.29343128    
 H   -10.6499596      -11.8772678       6.24072075    
 O   -9.36749840      -13.7376957       8.93276596    
 H   -8.59176254      -13.3131618       8.54576397    
 H   -9.81213093      -13.0530081       9.45405769    
 O   -10.7457228      -13.6936340       2.44232488    
 H   -10.8798389      -14.2291794       1.66459823    
 H   -11.5131054      -13.0972700       2.50230384    
 O   -6.91892576      -10.8397141       4.03727961    
 H   -6.68834019      -11.7219229       4.34548664    
 H   -7.66658354      -10.9501448       3.43068862    
 O   -9.24710846      -14.1525593       4.72768211    
 H   -9.78293419      -14.4940405       5.45565605    
 H   -9.80379009      -14.0984573       3.93894100    
 O   -10.5993319      -11.6028261       10.1874743    
 H   -11.4537487      -11.3425417       9.82337284    
 H   -10.0644407      -10.7998610       10.2025394    
          69
 Energy    -249.83838455913843     
  O     -2.43728611     -2.01122899     -0.18033172
  H     -1.73516055     -1.63607774     -0.73195415
  H     -0.13920013     -0.73225733      1.73112872
  O     -2.03039842      2.09916437      2.11495750
  H     -3.24906914     -1.54934866     -0.42800800
  H      1.95703388     -0.41620886      4.33344468
  O     -1.11616437     -1.92758994      4.40219381
  H     -2.01426722      1.12873229      2.15977923
  H      1.87922978     -0.67244160      2.80683689
  O      3.63636097     -2.34249391      0.20947823
  H     -1.37519385      2.36199032      1.45515996
  H      0.36487503     -3.52526580     -0.20929570
  O     -0.44526245     -0.92508006     -1.86357019
  H     -0.52758906     -1.31927916      4.86325762
  H      0.54627173     -2.31049147     -1.16280775
  O     -2.49839583      0.62653709     -2.79192230
  H     -0.56841057     -2.65148605      4.06300840
  H     -1.75130306     -1.13388228      2.99002036
  O     -4.53003740     -0.32929864     -0.95152864
  H      2.79723216     -2.61979090     -0.18383207
  H     -2.19401808     -1.17771970      1.46768475
  O     -2.10279151      3.23784446     -1.63163024
  H      3.62069738     -2.68902345      1.10965450
  H     -1.59812005     -5.09590606      0.50270295
  O     -0.06336746      2.95937698      0.21537568
  H      0.20319637     -0.27574954     -1.55870550
  H     -1.68603937     -3.55806556      0.38790950
  O      4.13676735      0.26059328     -0.35980702
  H     -1.12668017     -0.42594952     -2.33725791
  H      0.60481693      2.76677998      3.58358096
  O      1.39565525      0.80726008     -0.66518877
  H     -2.35368939      1.53097995     -2.48678824
  H     -0.84877042      2.27448616      3.57024791
  O      0.77896746     -0.80498442      1.43823742
  H     -3.26712325      0.30332291     -2.30689663
  H      3.79184286     -3.61696939      3.52010520
  O      2.49181428     -0.63719262      3.56071559
  H     -4.40854177      0.52271220     -0.49463931
  H      3.03843641     -2.29818227      3.23175210
  O      1.00497537     -2.87576280     -0.52473754
  H     -5.46538158     -0.42280722     -1.11084102
  H      1.31676573     -3.75989169      2.94052292
  O     -1.87727908     -0.61241853      2.18082111
  H     -2.05565596      4.07922710     -2.07918964
  H     -0.05646285     -4.09379779      2.29663848
  O     -1.10446540     -4.29206430      0.64675894
  H     -1.36561639      3.21885164     -0.99952534
  H      0.36482094      0.89212784      5.04644965
  O     -0.04764869      2.29056905      4.10964744
  H      0.51390546      3.32818728      0.89581317
  H      0.62965077      0.29579855      6.44805709
  O      3.20908133     -3.19414192      2.89382378
  H      0.44258128      2.23999339     -0.19104400
  H      3.30319423      0.82494456      2.70883010
  O      0.38205744     -3.89512407      3.13148281
  H      4.00662713     -0.68355417     -0.15693753
  H      3.81680557      1.16091428      1.29207988
  O      0.64049762      0.08506082      5.51832284
  H      4.93197655      0.32035398     -0.88203107
  H     -3.51996139      2.58958090     -0.50696251
  O      3.53276314      1.55857811      2.12351228
  H      1.17880950      0.32702510      0.15132350
  H     -3.51187984      2.13631611      0.95556782
  O     -4.03508148      2.09738700      0.14395302
  H      2.35276874      0.73642203     -0.75441241
  H      2.21843712      4.38186305      2.51805381
  O      1.74696157      3.58800714      2.27934268
  H      0.86412609     -1.59581731      0.89115050
  H      2.41217685      2.88005758      2.20490521
          69
 Energy    -249.83800091124675     
  O     11.25388192      9.24098848    -14.24546584
  H     11.29498596      8.72065223    -13.43460401
  H     20.85882474      9.89707435    -14.82536758
  O     16.65656248      7.07487434    -14.06398363
  H     11.48283228     10.15041073    -14.01757218
  H     14.52725648     12.07136938    -15.92694583
  O     16.87390901     10.55315359    -11.49345980
  H     17.37933974      7.54719422    -13.62853416
  H     13.47082478     11.57241027    -16.91903080
  O     16.19974552     11.38849102    -15.54353030
  H     16.14165103      6.66245976    -13.35738554
  H     14.21633176      8.90366042    -15.12101812
  O     13.69771484      5.73810211    -16.22810482
  H     16.74234855     10.13712835    -10.63304262
  H     15.50384889      8.43013047    -14.36636218
  O     13.78653027      8.45654023    -10.79858334
  H     15.98386522     10.74491370    -11.82127846
  H     10.71506236      6.98043163    -11.70154953
  O     15.24560911      6.23283672    -11.83821042
  H     16.89812458     11.68271475    -14.94441227
  H     11.97317558      6.76405328    -12.57550182
  O     14.21777117     10.67386851    -12.37322517
  H     15.77791447     10.61932219    -15.13103185
  H     18.06652549      7.30910890    -11.14989547
  O     16.29445375      9.62722307    -17.65491435
  H     14.57955375      6.07041743    -16.47135872
  H     17.16668640      7.51471846     -9.92105804
  O     18.76135286      8.60026719    -16.82452738
  H     13.52871357      4.97921738    -16.78077214
  H     13.26838324      5.64133200    -14.36076538
  O     16.12845016      6.86497839    -16.75024370
  H     13.90089192      9.27707832    -11.30169036
  H     13.82864131      5.65982764    -12.91376942
  O     19.93224417      9.77322294    -14.63522290
  H     12.93041392      8.10096049    -11.06750569
  H     18.85119802     11.23488117    -13.99087370
  O     13.58225082     12.11606497    -16.13178502
  H     14.74049416      6.99016483    -11.51350180
  H     17.85459231     11.56350683    -12.85379778
  O     14.90358706      9.17365795    -14.50032671
  H     16.06902152      6.23223983    -11.32822832
  H     19.10043427      8.90878953    -13.22357651
  O     11.49050395      7.42064056    -12.04012810
  H     13.51823947     11.24987823    -12.70015111
  H     17.93626836      9.24189816    -12.24962645
  O     17.56485616      6.83224870    -10.47550744
  H     14.44445800     10.09544258    -13.12098668
  H     15.85081820      9.14716186     -8.34106498
  O     13.01241947      5.67231745    -13.43257970
  H     16.36310136     10.31417016    -16.97355083
  H     15.19615900      8.75137481     -9.68245191
  O     18.18675648     11.87427053    -13.70471456
  H     15.43510981      9.77384643    -18.06580552
  H     12.96272390     10.06787482    -18.99584293
  O     18.48324787      8.52007377    -12.59161341
  H     18.02107690      9.06193923    -17.24423742
  H     13.23831819      9.48676733    -17.58852679
  O     16.04291966      8.96816168     -9.25846643
  H     18.51073296      7.67593765    -16.85512976
  H     11.63121142     12.71429110    -13.72211238
  O     13.55093622     10.13151120    -18.24792043
  H     16.13234933      7.78089301    -17.05586338
  H     12.64272290     12.02775354    -14.66730782
  O     12.16541036     11.93111389    -13.82312778
  H     16.41666335      6.87872424    -15.82382858
  H     12.18232669      8.64258355    -15.59798512
  O     12.83836784      8.40745590    -16.27364052
  H     19.53576005      9.38005601    -15.43118090
  H     12.96858746      7.45223090    -16.27299232
          69
 Energy    -249.83776050787156     
  O     -2.36573982     -5.49419314     -4.47871874
  H     -2.05826455     -5.62943071     -3.57324925
  H      2.54906898     -0.65852210      1.26350327
  O     -3.51011732     -3.18450221     -5.39469010
  H     -1.58835453     -5.60981580     -5.03823015
  H      3.82860933     -4.76812304     -2.50293096
  O      0.06193078     -5.31530995     -6.02401182
  H     -4.37938119     -3.36964269     -5.74027906
  H      2.39820751     -4.21354989     -2.69589197
  O     -2.57077982      0.50822978     -1.21949410
  H     -3.17591850     -4.01949532     -5.02072717
  H      0.51592525      1.05993895     -1.45384930
  O     -1.18053084     -5.40107089     -1.89955160
  H      0.37742848     -5.79856823     -6.78228184
  H      0.23855671      2.56289187     -1.21153501
  O     -0.97923003     -1.23743822      1.91449721
  H     -0.26212392     -4.45606909     -6.34986443
  H      0.38422877     -1.45365535     -1.11938076
  O      3.67638169     -1.32348986     -1.66775074
  H     -1.70799459      0.93666888     -1.16726246
  H      0.63082165     -2.73714943     -0.27479217
  O      0.84007490     -4.39973849     -3.49135603
  H     -2.59528119     -0.00532951     -2.03560477
  H     -3.27829496     -3.41668319      1.66801483
  O     -1.62859297     -3.84393102      2.60366656
  H     -1.76093123     -4.64082915     -1.74113040
  H     -3.91275179     -2.08919416      1.19158735
  O      0.01069213     -1.77529342     -4.18863544
  H     -0.81994105     -5.62079210     -1.02931771
  H     -4.08439055      0.45493722      1.52793813
  O      2.04618690     -3.73721100      0.34118528
  H     -1.83828190     -0.81585025      1.77724895
  H     -3.22172216      0.03702755      0.31452649
  O      3.25485876     -1.32140133      1.16466007
  H     -0.64883648     -1.48427084      1.03561876
  H      0.46381822     -0.03670018      1.81569281
  O      3.21949068     -4.10582430     -2.18637542
  H      3.63315894     -2.25693485     -1.90977676
  H      0.84027622      0.97338901      0.72049264
  O      0.03369029      1.68921586     -0.88724553
  H      3.65851783     -1.29342845     -0.70242750
  H     -0.71968742     -5.01458926      1.33025146
  O     -0.04217284     -2.09749492     -0.54175829
  H      0.68960898     -4.78004143     -4.36643211
  H      0.66855164     -4.99021142      0.67334878
  O     -3.93999753     -3.04748738      1.06982976
  H      0.16331647     -4.76365030     -2.90084263
  H      0.89547539     -0.69086121     -3.07473077
  O     -3.49239174     -0.22296284      1.21396237
  H     -1.33040348     -2.92926971      2.47131125
  H      2.15638968     -0.55460485     -2.14729124
  O      1.20863981      0.45658567      1.44668000
  H     -1.56562998     -4.01841514      3.54005091
  H     -1.65610551     -2.74998920     -0.96768506
  O     -0.17096329     -5.46806022      0.67967105
  H      0.27391676     -2.65798783     -3.89442132
  H     -3.09963588     -3.14115166     -0.50202445
  O      1.24587060     -0.25601436     -2.28543495
  H     -0.89930695     -1.62442060     -3.89078929
  H     -1.87510705     -2.90052534     -6.37158383
  O     -2.50829037     -3.10378263     -1.26573875
  H      2.52019217     -3.94901799     -0.47420741
  H     -0.51720851     -2.32997285     -5.93650224
  O     -0.94251925     -2.86483266     -6.62048056
  H      2.49569849     -2.97993589      0.73895801
  H     -2.67701237     -2.02561643     -2.62015732
  O     -2.62618434     -1.41003825     -3.37039692
  H      3.90394995     -1.12822750      1.83621839
  H     -3.04978494     -1.86538174     -4.10788045
          69
 Energy    -249.83667708631003     
  O      0.89489126      0.08425818      2.57744687
  H      1.19574630     -0.04112889      1.66838425
  H     -1.92876321      0.26329022      6.93447011
  O     -2.02182487      0.57833816     -2.98644039
  H      1.09213002      1.00109489      2.80984730
  H     -1.20633113      3.72509455      1.42876566
  O      0.04287733     -1.62605770      4.69802094
  H     -1.38710118      1.01267219     -2.39486232
  H      0.27100998      3.38717552      1.65594358
  O     -4.27283863     -0.12585759     -1.35117209
  H     -1.94879312      1.01927861     -3.83004090
  H     -1.88169509      1.49450772     -0.15641047
  O     -1.67037811     -2.28248885     -2.63731395
  H      0.49063622     -1.11831534      4.00937407
  H     -3.31980096      0.89263788     -0.21776011
  O      0.34624394     -2.41381134     -0.72723869
  H     -0.45011780     -0.98313557      5.22249097
  H     -2.15345847      0.21467919      1.54921175
  O     -2.98171419      3.02377885      2.50459517
  H     -4.03386540     -1.03072520     -1.09590114
  H     -0.90578014     -0.16058905      2.41167214
  O     -4.12928850     -2.94883953      3.74760799
  H     -3.66027689      0.13254014     -2.05042412
  H     -4.36144711     -2.85157913      0.05738244
  O      1.25161596      2.80158439      3.17199131
  H     -2.41088266     -2.53511433     -2.07187632
  H     -2.82925960     -2.85155792      0.06738153
  O     -5.43483363      1.64181217      3.13492545
  H     -1.78750289     -1.34513022     -2.83199970
  H      1.17144040     -0.98545596     -0.38332438
  O     -3.65790412     -0.22903650      4.25440058
  H     -0.18532760     -2.71569261      0.02087606
  H      2.48764804     -0.17297005     -0.46500529
  O     -1.65597692      0.27743224      6.02041482
  H     -0.24836960     -2.42377245     -1.49027316
  H     -1.77199304      2.75431971      3.87537564
  O     -0.37202723      3.60010917      0.96693882
  H     -2.87596222      2.49003904      1.70210110
  H     -1.26069520      1.87543661      5.05721899
  O     -2.69687642      1.36657596      0.34596866
  H     -3.85581942      2.77575194      2.82631192
  H     -0.26807974      2.48413363     -0.46764017
  O     -1.82786515     -0.38704235      2.23191564
  H     -4.05897140     -2.03125659      4.04359982
  H      0.34830016      1.09132442     -0.78327237
  O     -3.59347439     -2.69025595     -0.50475451
  H     -3.24899221     -3.32753596      3.85509157
  H     -0.86749765     -3.06792066      4.25193696
  O      1.58859278     -0.13450980     -0.14986883
  H      1.90954249      3.30989604      3.63762403
  H     -1.03863596     -4.59291151      4.42864411
  O     -1.04896355      2.63803014      4.50802181
  H      0.44943214      2.79481999      3.72907813
  H     -1.42146020     -3.46591535      2.11577111
  O     -0.33162503      1.71944313     -1.06107520
  H     -6.28414188      1.97951555      3.40692555
  H     -1.64511776     -2.03759802      1.60277870
  O     -1.40053589     -3.83502297      3.97731997
  H     -5.59804000      1.08240013      2.35390160
  H     -6.34132186     -3.46148149      1.56575906
  O     -1.49488899     -2.94909997      1.30665713
  H     -4.31680192      0.41793278      3.97639093
  H     -5.07607003     -2.93813032      2.28335183
  O     -5.60903828     -2.85770602      1.47239732
  H     -3.01271730     -0.30316486      3.53093282
  H     -5.49037989      0.04383700      0.14759614
  O     -5.84578354     -0.04432982      1.03960620
  H     -2.44456597      0.07453702      5.48771035
  H     -5.83372725     -0.99054832      1.23205256
          69
 Energy    -249.83663617280274     
  O     15.87280024     12.92898240    -17.86668229
  H     15.56279466     12.51360198    -18.66740669
  H     18.52869608     13.48587286    -16.80601366
  O     19.67435616     17.48330093    -14.72869528
  H     16.84447539     12.94148398    -17.91488927
  H     21.82239327     15.12899463    -14.42335709
  O     19.75888742     10.92319582    -14.37553721
  H     19.65893131     18.13191129    -14.01459940
  H     20.73918710     16.16709462    -14.03658902
  O     16.24409535     15.93648632    -12.58108195
  H     18.75998652     17.20435647    -14.88167577
  H     17.40520751     14.84823452    -11.64817822
  O     16.31636670     12.07151483    -11.74933733
  H     18.83254868     10.68282293    -14.27315026
  H     18.40555073     14.79188557    -10.46432778
  O     14.40776574     13.82501894    -13.02762205
  H     19.89999968     11.65480897    -13.75667219
  H     15.99650958     11.68142105    -14.84122512
  O     20.93869776     12.19611899    -16.55356305
  H     16.51183299     16.18921527    -13.47655592
  H     15.59994580     12.56965086    -16.08410870
  O     22.38382176     14.42019737    -16.04086957
  H     15.51659291     15.31032354    -12.67750055
  H     21.31887393     15.78916726    -16.82497750
  O     17.59300184     17.87628699    -11.03294131
  H     15.55407335     12.59696629    -12.01933048
  H     20.40504677     16.94341861    -16.34899709
  O     19.81404690     13.31021253    -12.95391150
  H     16.94602968     12.70989590    -11.38848182
  H     20.76300072     17.76041888    -11.64195967
  O     16.22233761     15.89822487    -17.70239580
  H     14.75422455     13.40063976    -13.83144074
  H     21.37283082     16.39772592    -12.02317323
  O     18.58648733     13.25317987    -17.74740901
  H     13.45629330     13.80255128    -13.09224610
  H     18.82228253     18.71464439    -11.94562554
  O     21.34235684     15.50207524    -13.67327104
  H     20.19744590     12.40247478    -17.13425744
  H     19.58824414     20.02010774    -12.26937432
  O     17.96125456     14.25042603    -11.12814822
  H     20.57585419     11.65978944    -15.83337893
  H     20.00286768     16.36928305    -10.09005968
  O     15.60257276     12.52073381    -15.11941159
  H     21.88990118     13.59793981    -16.21104133
  H     19.60387996     16.13465888     -8.61268362
  O     20.70224312     16.46387441    -17.13357440
  H     23.28940533     14.24955307    -16.28562726
  H     16.73061712      9.52244694    -13.61591803
  O     21.14348801     16.95568813    -11.26838536
  H     17.00456597     17.28877527    -11.52520583
  H     16.76173063     10.95225344    -13.02789931
  O     19.58711267     19.07982616    -12.42607707
  H     18.05149358     17.32096232    -10.39024191
  H     18.70853718     13.57888116    -14.38069817
  O     19.26974047     16.10541112     -9.50473124
  H     20.41528057     14.04534347    -13.13562580
  H     17.26903792     13.37278375    -14.96311608
  O     16.91665417     10.43157953    -13.83727812
  H     19.21957491     13.59458787    -12.24721708
  H     19.50349105     16.08451622    -18.29490119
  O     18.10361899     13.84175043    -15.08565729
  H     17.06389696     15.94664599    -18.17611973
  H     19.06865805     16.11911899    -19.77814395
  O     18.81686670     15.78825053    -18.92044261
  H     15.94330146     14.97916349    -17.76707142
  H     17.57894059     15.51023626    -15.09950673
  O     17.17424561     16.39156005    -15.14992170
  H     18.73969828     14.07624294    -18.23014804
  H     16.72329337     16.40981982    -16.00388584
          69
 Energy    -249.83608691707079     
  O     10.44406895     10.52868171     -9.43266447
  H     10.63014864     11.10218373    -10.19735194
  H     14.25311426     11.81584596    -14.73651104
  O     12.94878455      8.76850492    -17.25628925
  H      9.57933171     10.77152146     -9.11070047
  H     16.55828220      8.38969018    -12.58469503
  O     11.03458709      8.30891524    -11.16872918
  H     12.00602457      8.59690818    -17.13258489
  H     17.00103568      9.61439287    -11.74084128
  O     13.64592957      8.02191229    -14.72365186
  H     13.02675535      9.72044410    -17.39241190
  H     15.48613130      6.01929914    -12.96914371
  O     13.80354618     13.80290451     -8.70257100
  H     11.95858180      8.12968408    -10.94885350
  H     14.68963442      7.22303124    -13.51877503
  O     12.96227271     11.65489114    -17.47856963
  H     10.74072456      8.96527928    -10.52679606
  H     12.81198107     14.37968421    -10.21409526
  O     11.16070815      8.90163416    -13.84558453
  H     13.54551503      8.15950556    -15.67706246
  H     11.89407983     13.69272204    -11.24203934
  O     14.79901716      9.21991888     -8.38728743
  H     12.79469323      8.26180238    -14.33018578
  H     13.80530099      9.14645061    -11.08233400
  O     13.78241810     10.82447873    -11.72080770
  H     13.45127749     12.92332609     -8.47317640
  H     14.31555553      7.70177118    -11.36291974
  O     12.90256372     11.32017342     -8.19175861
  H     13.97117087     14.25583177     -7.88093463
  H     11.98132668     12.02688368    -14.46828631
  O     11.27944377     11.97156883    -11.57614541
  H     13.38078653     12.14947019    -18.17954414
  H     10.62898527     11.63500399    -15.12011225
  O     13.69126664     12.57687292    -14.95645410
  H     13.25147804     12.06008657    -16.64543414
  H     14.99026565     13.23374245    -10.01196131
  O     16.97623627      9.25566813    -12.64040779
  H     11.02608928      8.67157939    -12.91508652
  H     15.28643545     13.38339542    -11.52754613
  O     15.22354768      6.91371029    -12.76698410
  H     11.15780144      9.86538393    -13.92090986
  H     15.83886665     10.08293013    -13.69852165
  O     12.42358127     14.48763190    -11.09146425
  H     15.02874300      8.55347070     -7.74430922
  H     14.58225069      9.56917412    -14.45948564
  O     13.81769868      8.23979502    -10.73527078
  H     14.45136127      8.75159498     -9.16557376
  H     11.05554474     11.43262389    -17.20651871
  O     11.10034303     11.67909852    -14.27661659
  H     14.16656419     10.66622547    -12.59350277
  H     10.06964046     10.31331452    -16.81710400
  O     15.47030551     12.83887391    -10.75282168
  H     14.36975795     11.44940793    -11.27626402
  H     16.22551383     10.06870321     -9.45076754
  O     15.03506709     10.36808046    -14.16029611
  H     13.53677561     10.59250213     -8.19643904
  H     16.52214518     11.33117584    -10.28345381
  O     10.17929048     11.27273647    -16.83260116
  H     12.06817571     10.97271411     -8.52762647
  H     13.66118352     14.51838839    -12.31935035
  O     16.82645757     10.43044423    -10.11102476
  H     12.15338891     11.54899088    -11.57227336
  H     14.72800845     15.31502455    -13.10723306
  O     14.41586536     14.43094807    -12.92951372
  H     10.99219032     11.95762120    -12.49899304
  H     10.47642521      8.51004442    -15.46846450
  O     10.22965274      8.43939000    -16.40604797
  H     13.93074808     13.27881962    -14.34045209
  H      9.58574668      7.73854445    -16.46770941
          69
 Energy    -249.83601974271579     
  O     15.48937790      9.83920617    -15.48675459
  H     15.31943540     10.72677390    -15.82231301
  H     13.78155175     11.47201442     -8.95256602
  O     17.07226737      7.67163545     -9.14200495
  H     16.32699809      9.51683091    -15.84899679
  H     17.37759656      3.98050317    -15.26299169
  O     15.01364857     12.50832668    -16.15141606
  H     17.64221570      7.34289545     -8.45283275
  H     16.74523541      5.34848433    -15.61307834
  O     14.23887030      7.99801994     -9.33699654
  H     17.16970011      8.64178284     -9.15386401
  H     16.21106584      6.81387589    -12.20527184
  O     13.91912495      7.65272833    -14.98145827
  H     14.73747617     12.75161105    -15.24818963
  H     16.96318416      7.40823066    -10.95182944
  O     19.51654498     10.88863441    -16.08904216
  H     14.43572537     12.96783315    -16.75373260
  H     18.11105841      8.15497633    -15.49912725
  O     18.60077960      7.17619115    -14.03745327
  H     15.16202307      7.77592208     -9.16782333
  H     18.45091592      9.39056769    -16.36604590
  O     12.99658837      6.81243868    -11.50023688
  H     14.19764119      8.96089532     -9.31353780
  H     17.58437140     12.74842283    -12.34880926
  O     14.46990648     13.06671072    -13.56957704
  H     14.42272647      8.45419974    -15.19039262
  H     17.51691504     14.28780602    -12.22594459
  O     11.96054199      8.65910865    -13.14335297
  H     13.16013106      7.95431722    -14.46857684
  H     15.15953389      6.83407665    -16.27734785
  O     13.50042865     10.81837890    -12.11644534
  H     20.20612888     11.26929805    -16.62629372
  H     16.57035941      7.25305580    -16.75893140
  O     14.31069199     10.88727956     -9.48985004
  H     18.90390796     11.61162539    -15.86460167
  H     16.21595420      8.98255412    -12.47366592
  O     17.16780531      4.83666189    -14.89968823
  H     18.33513716      6.30045177    -14.34171172
  H     15.84445666      9.84838023    -13.73700947
  O     16.88364998      7.44503875    -11.91218083
  H     18.08033663      7.32546516    -13.23328521
  H     16.85827107     12.78272131    -15.80915668
  O     17.82851851      8.65772411    -16.27801370
  H     13.40774524      7.17629725    -10.70156267
  H     17.63243679     13.14261015    -14.53157183
  O     17.17540534     13.54805159    -12.72193663
  H     13.66302488      6.27490326    -11.94208762
  H     17.33132484     10.73471384    -12.17780968
  O     15.96949969      6.50041167    -16.68266224
  H     15.32861049     13.25169378    -13.16831563
  H     18.86740389     10.71479175    -12.32088016
  O     15.93656153      9.85847882    -12.77474375
  H     14.04644276     12.38242821    -13.03613266
  H     15.73882383      5.31230651    -13.69144722
  O     17.74727417     12.83177686    -15.43744357
  H     11.01673852      8.54357304    -13.21414521
  H     14.67459345      6.42743172    -13.82850800
  O     18.14372804     11.15965396    -11.85821035
  H     12.27736233      7.98958507    -12.50737311
  H     19.85415834     10.14480918    -14.35006094
  O     15.07764972      5.81142862    -13.19747420
  H     14.38097344     10.45889628    -12.31983688
  H     19.63239590      8.81162486    -13.61902477
  O     19.87485042      9.73388991    -13.47680941
  H     12.86801685     10.17808535    -12.46269802
  H     17.58147814     10.70758735    -10.12526800
  O     17.13499740     10.36562445     -9.33974164
  H     13.94422099     10.92725129    -10.38831156
  H     16.21428834     10.65175137     -9.39137849
          69
 Energy    -249.83523657608393     
  O     12.66884719     14.24789680    -12.87391967
  H     13.10398346     14.24662138    -13.74332437
  H     13.53371615      9.81582532    -15.33650493
  O     15.60128859     10.41373223    -17.37310531
  H     11.88222636     14.78027964    -12.96838236
  H     13.22293469     12.37453762    -18.09285881
  O     15.26840535      8.62192823    -11.70075392
  H     16.34804344     10.49651955    -16.76633823
  H     14.38539110     11.68033438    -17.34746069
  O     17.21715539     15.30612966    -12.08650594
  H     15.15525203      9.59787295    -17.10909668
  H     17.87673596     12.13967573    -11.60531180
  O     14.33119939      8.32207765    -15.94638088
  H     15.11504880      7.71420290    -11.41238529
  H     18.12106331     13.64212712    -11.87435800
  O     14.63318228      5.90983713    -11.30805658
  H     14.40440005      8.98664334    -11.94671579
  H     13.15059922     12.15751040    -10.46835151
  O     15.47679288      5.46419703    -13.85653772
  H     16.33323246     15.19016317    -11.69242396
  H     12.49395212     12.69923874    -11.75301650
  O     15.41742919     11.80142045    -13.72685344
  H     17.53029012     16.16376524    -11.81296102
  H     16.68485168     10.90013039    -14.65684677
  O     12.76387783      9.60139206    -12.44464961
  H     13.79259591      7.53039814    -15.82974623
  H     18.13823623     11.13271849    -15.09573753
  O     16.47404919      8.08524346    -14.18505784
  H     15.09202334      8.22030069    -15.35556534
  H     12.63907925      6.30700518    -14.29820115
  O     19.09657326     12.67221512    -14.61540357
  H     14.97763464      5.65258539    -12.18248026
  H     12.30336477      5.41897394    -15.52071079
  O     13.16894450     10.64172096    -14.98196558
  H     14.82147152      5.18903232    -10.71383760
  H     15.34451309     12.02314069    -10.03883132
  O     13.63541207     12.29185846    -17.23715921
  H     14.68279401      5.51337272    -14.40325096
  H     14.94330293     12.32208989     -8.57407746
  O     18.51912695     12.76614765    -11.96186512
  H     15.98656511      6.26134563    -14.05711843
  H     17.48401437     13.74475762    -14.82335387
  O     12.46707834     11.96924054    -11.12199373
  H     15.62631049     12.68406128    -14.05560398
  H     16.84278288     14.69051847    -13.79139709
  O     17.40481349     10.51280725    -15.17814569
  H     14.58579918     11.51042326    -14.12025219
  H     16.09636953     10.19363005    -11.21957302
  O     12.96366635      6.00841913    -15.16735270
  H     12.78475520      9.93900167    -13.34995998
  H     15.96140979     11.45467721    -12.08428129
  O     14.74458529     12.54568468     -9.47928144
  H     12.57793498     10.36846412    -11.88361706
  H     14.92190291     14.44642501    -15.19713547
  O     16.67003885     14.21959668    -14.61845459
  H     16.12930740      8.33404979    -13.31558947
  H     13.84808218     13.68153944    -16.00470102
  O     16.30350616     11.13722628    -11.23265559
  H     16.98898211      8.83128358    -14.51863888
  H     12.30187664      7.81049704    -12.55653841
  O     13.96965138     14.29803020    -15.27215492
  H     20.00970017     12.89674811    -14.77109046
  H     12.94876508      6.48933140    -12.08964599
  O     12.27965080      6.85159286    -12.68263982
  H     18.97059989     12.65645434    -13.64892090
  H     14.74450241     14.14484245    -10.43649693
  O     14.77738556     14.86268042    -11.08153286
  H     13.10068519     11.24638660    -15.72907259
  H     14.03733673     14.72044609    -11.68472117
          69
 Energy    -249.83478532037535     
  O     -3.67200713      5.46950016      0.41225562
  H     -3.40549467      5.41600402      1.34720342
  H     -3.15435841      2.48528617     -4.27120343
  O     -5.13495430     -0.06381138      3.17109641
  H     -4.34398866      6.14474650      0.36159522
  H     -2.34007801     -3.58513237      1.20185966
  O     -0.34448234      1.27067668     -2.51104944
  H     -5.08836098     -0.38536806      2.25253476
  H     -2.43531363     -2.25990200      1.99392069
  O     -3.71224219      0.70291994     -1.20401077
  H     -6.00031845     -0.29460634      3.49807964
  H      0.02635706      3.97651959      3.83165549
  O      0.68275509      2.65064840      5.01586336
  H     -1.18723457      1.51796570     -2.91332484
  H     -0.40678940      4.10060397      2.33652437
  O      2.62212223      3.80906354     -0.08812232
  H     -0.53582251      0.51928953     -1.93871363
  H     -3.79804164      3.62700082      0.48888267
  O     -0.83492830      3.20193091      0.87546731
  H     -3.56350202      1.13922593     -2.05089218
  H     -3.63170749      2.51806329      1.57983948
  O     -4.80870379     -1.07139299      0.66992920
  H     -3.71085009      1.41170373     -0.54029101
  H     -3.25021691      4.13371745      3.28413264
  O     -3.48920668      2.20393709      3.34553432
  H      0.87705176      2.76433659      5.94236843
  H     -2.02469778      5.05618498      3.17028607
  O     -1.03777644      0.87076487      3.71006386
  H      1.53650114      2.64307629      4.54605359
  H     -2.16494622     -0.18350306     -0.80665048
  O      2.93920607      2.81640733      3.54395392
  H      2.80231987      2.93219353      0.27113026
  H     -1.62561397     -1.43424129     -0.08338851
  O     -2.90278284      2.28357682     -3.37403504
  H      2.58944559      4.40289808      0.67144880
  H      1.44398904      5.20928402      2.60428853
  O     -2.42976642     -2.64168165      1.09791407
  H     -0.43763100      3.45867538      0.03125089
  H      2.57218358      6.25838563      2.47833952
  O     -0.17514949      4.60972076      3.13132147
  H     -1.77235935      3.03270058      0.72315076
  H     -1.36912404      4.49589133     -1.91681198
  O     -3.59333770      2.69370884      0.62922761
  H     -4.09112040     -1.71330658      0.73284445
  H     -2.68476829      4.99053918     -1.25703441
  O     -2.97860951      5.02316574      3.02327728
  H     -4.57877056     -0.49376427     -0.07014442
  H     -0.27437191      0.16322793      0.60768698
  O     -1.34894984     -0.65299056     -0.57862034
  H     -2.62854127      1.78827259      3.49677897
  H     -0.10088393      1.62118538      1.10131424
  O      2.36718829      5.33862552      2.33068190
  H     -4.14423845      1.49428444      3.38480096
  H     -2.01762809     -0.71172102      3.71423587
  O     -2.32135236      4.60191695     -2.05885341
  H     -0.45411944      1.40245255      4.26444207
  H     -3.51101421     -1.04366897      3.55082897
  O      0.21687987      0.71408399      1.23176987
  H     -0.57354129      0.73332720      2.87210756
  H      1.97071921      0.96414960      1.19499809
  O     -2.62973752     -1.43599453      3.52787603
  H      3.02797323      2.21513288      2.79333997
  H      3.40580362      0.50928420      0.84181829
  O      2.90334327      1.23818261      1.19688838
  H      2.92158067      3.70623156      3.16938067
  H      0.20926827      2.88860243     -1.92936126
  O      0.30142669      3.77638389     -1.54953023
  H     -2.76108938      3.13643269     -2.92547882
  H      1.18791371      3.84995099     -1.16786168
          69
 Energy    -249.83441245702511     
  O     15.28159500      7.41726571     -9.61670286
  H     15.00159841      6.53959220     -9.90187294
  H     17.18219962      7.38352788    -17.18330263
  O     15.36041325      5.17410035    -16.14562655
  H     14.82321824      8.03439229    -10.20363499
  H     17.48418869     10.98607535    -14.69578358
  O     18.00575575      9.38532025    -14.04390667
  H     15.62527238      5.83890458    -16.79236786
  H     17.82961505     12.31190134    -15.41187397
  O     10.97941779     11.03721917    -12.75937535
  H     16.15900236      4.97694617    -15.64200340
  H     16.10643187      7.05351378    -13.14093684
  O     16.90462150      5.61825257    -12.29527585
  H     17.20152536      8.87575669    -13.86029419
  H     15.19519330      8.26785737    -12.81841680
  O     11.62474627      8.25290252    -12.74665274
  H     18.36791991      9.61822014    -13.17947254
  H     13.86922706      5.12932466    -11.44432367
  O     16.54942920     12.01881846    -12.08537772
  H     11.11119764     10.99700686    -13.72431707
  H     14.33379816      4.12582077    -10.36370431
  O     14.41050184     11.28052938    -15.23170797
  H     10.18240717     11.53858773    -12.60980914
  H     18.40948712      4.14180659    -14.66501817
  O     12.75972044      5.16116577    -15.33470737
  H     16.15046490      5.26027310    -11.81017022
  H     17.54710107      5.10053928    -13.81185817
  O     14.74174662      8.64312493    -15.90733914
  H     17.36477362      6.23821605    -11.70551045
  H     12.14144025      6.44577928    -12.46283134
  O     12.12803240      7.92191162    -15.48509576
  H     11.77370035      8.15865042    -13.69942527
  H     12.66775014      5.39475102    -13.46142386
  O     16.38102583      7.33503487    -17.73675995
  H     11.26270298      9.13747007    -12.61705921
  H     19.14850430     10.65786667    -10.88472760
  O     17.15284466     11.87704934    -14.89930115
  H     16.76594656     12.15106557    -13.01665101
  H     17.76020076     10.85082977    -11.53260057
  O     15.75626176      7.87577574    -13.50211527
  H     15.58591237     11.98003045    -12.04846952
  H     18.45541028      8.08235268    -15.34448709
  O     14.61474864      4.88501252    -10.86743150
  H     15.29952580     11.65436519    -15.22350277
  H     18.35092066      6.54476077    -15.52184000
  O     17.83229364      4.89903916    -14.72043077
  H     14.52487435     10.35985408    -15.51355039
  H     18.08372984      8.41847928    -10.83250744
  O     12.60086199      5.59932055    -12.52056306
  H     13.69414243      5.15818972    -15.60701144
  H     17.02175146      7.53746319    -10.13373257
  O     18.48542635     10.21407653    -11.40756194
  H     12.35545952      4.40108853    -15.74571763
  H     11.62801177      9.79880065    -15.58259454
  O     18.45064706      7.37654133    -16.00318320
  H     15.09514517      8.27586719    -15.08152645
  H     12.50847454     11.06550790    -15.48303449
  O     17.86497595      7.50736571    -10.61292954
  H     15.25899619      8.27398331    -16.63212151
  H     12.81567353     11.54767310    -12.44345133
  O     11.60209977     10.74445651    -15.38817838
  H     13.03331727      8.20114010    -15.69103953
  H     13.98030605     11.49419939    -13.45580875
  O     13.77684056     11.58804293    -12.51301799
  H     12.15637622      6.95823922    -15.51966415
  H     13.22427045      8.62881022    -11.94121567
  O     14.07347895      8.96813537    -11.62757738
  H     16.66467547      7.39394819    -18.64436774
  H     14.06723187      9.91489025    -11.81613443
          69
 Energy    -249.83402469628396     
  O     12.60065136     11.56358417    -13.86702125
  H     12.42894649     12.50174534    -13.83963656
  H     15.52590681      6.98720848     -9.95189165
  O     14.88226389      6.33035521    -17.26820379
  H     13.05273567     11.34116941    -13.03385875
  H     14.16205949      8.21091514    -13.77939801
  O     13.63036670      5.47351033    -12.09701818
  H     14.32864369      5.61290546    -16.93672228
  H     12.80808593      7.70040002    -14.37346973
  O     17.54376821      4.60304790    -12.08773912
  H     14.30109672      7.07632164    -17.45770499
  H     13.65367662     10.82635747    -15.23845967
  O     13.69270643      4.03846916    -15.94371345
  H     12.71584705      5.22185921    -11.93261295
  H     14.90740248      9.93501609    -15.34065198
  O     10.49236497      9.65409932    -14.09863898
  H     13.58434029      6.27219619    -12.64781497
  H     10.92295652      5.13573605    -13.11567199
  O     13.24366550      8.64426119    -17.68404258
  H     18.15399939      5.21847846    -12.50917599
  H     10.14496389      4.59205556    -11.89310340
  O     14.91828906      8.42238612     -9.04365306
  H     17.05715389      5.12226921    -11.43252262
  H     10.92704665      7.09849975    -11.85418679
  O     18.87165698      6.69503818    -13.62194715
  H     14.33434368      4.01863959    -15.21460442
  H     12.00532397      8.05139386    -12.40691305
  O     11.52403588      7.67689195    -15.70286675
  H     13.76192742      3.19511602    -16.38614267
  H     14.72672676      4.59152923    -13.20304700
  O     16.67322790      6.32826570    -15.23453546
  H     11.16476544     10.34486246    -14.03062632
  H     16.20801333      4.16513167    -13.24759833
  O     15.83401504      6.36942136    -10.63144234
  H     10.51101960      9.18389209    -13.25619591
  H     12.04757830      4.65097353    -15.19249206
  O     13.34480352      7.74497913    -13.57099619
  H     13.61606000      9.31341699    -17.08075074
  H     11.24085781      5.96215412    -15.19339235
  O     14.22862275     10.37634589    -15.86943003
  H     13.12636015      9.06876670    -18.52942450
  H     11.83760353      8.83166162    -10.40304194
  O     10.80772580      5.22622444    -12.15099989
  H     15.42873645      9.17596860     -9.36319774
  H     11.60321644      9.61859849     -9.09367601
  O     11.21738464      8.01872478    -11.84073166
  H     13.99307677      8.65769167     -9.18614707
  H     16.10469063      7.97274406    -14.67570966
  O     15.41459896      4.25273239    -13.79514918
  H     18.17976593      6.57250327    -14.29458653
  H     16.31562317      8.80877019    -13.40145664
  O     11.27339552      5.07531012    -14.80573380
  H     19.70694545      6.67776112    -14.08186042
  H     14.70534120     10.85069906    -11.22284351
  O     12.28281230      9.33220154     -9.69877272
  H     11.05971310      8.40884155    -15.26867205
  H     13.26013170     10.45521003    -10.86854528
  O     15.83352807      8.79123990    -14.23627760
  H     11.99695259      8.02382181    -16.46841159
  H     16.83476336      9.75255093    -10.98563781
  O     13.79145640     10.92971412    -11.51928566
  H     16.25382091      5.63469401    -14.70752155
  H     17.09684151     11.03215262    -10.16063564
  O     16.40347336     10.45510600    -10.47077842
  H     16.17577695      6.36979281    -16.06523678
  H     18.00136639      7.86629113    -12.43066594
  O     17.32747190      8.31888175    -11.90963003
  H     15.04211997      6.01465383    -11.05716087
  H     16.80014294      7.62840853    -11.47792967
          69
 Energy    -249.83388854244515     
  O     15.55621190     11.70837335    -15.37248287
  H     15.03310559     11.28533005    -16.04850726
  H     18.09224146     11.67691913     -8.58106896
  O     18.22068292     15.69615940    -16.91907725
  H     16.25851435     12.20444073    -15.82988093
  H     19.95277758     17.94706302    -11.62456304
  O     21.59427446     10.84963762    -15.42362207
  H     19.10066283     15.59940115    -17.30332374
  H     19.69091516     19.33527640    -12.25659801
  O     18.87330855     14.53162917    -10.45424399
  H     18.34702287     16.13668590    -16.06811046
  H     22.04824199     14.35836884    -10.95417000
  O     14.97511510     13.25732306    -13.09519549
  H     22.45519509     10.46590719    -15.57514720
  H     20.55771070     13.94680466    -10.96648117
  O     20.30768554     11.06238372    -10.71796326
  H     21.73244369     11.62880780    -14.85633592
  H     17.02137495     10.49527435    -12.78632012
  O     16.19555029     11.22524551    -11.39792143
  H     18.56337163     13.73326434    -10.00837993
  H     16.81448852     10.57298057    -14.31245418
  O     20.22636761     12.37944517    -17.43174218
  H     18.29548594     14.66554886    -11.21818326
  H     20.71606091     14.03527577    -17.69275879
  O     21.29449136     15.52725779    -15.04343955
  H     14.04765080     13.48288712    -13.08662824
  H     21.33138866     15.13499331    -18.59167439
  O     20.22556674     16.97057463    -10.20750718
  H     15.12259368     12.72282903    -13.89147107
  H     22.19532291     16.63138821    -13.84006413
  O     21.63445767     13.07008450    -13.85498125
  H     20.31268062     10.55406638    -11.54136163
  H     21.64676610     17.75833828    -12.94960473
  O     18.12579326     12.01233837     -9.47299658
  H     20.88413572     11.82425599    -10.84949658
  H     18.24412044     15.99817874    -13.74667732
  O     19.89798871     18.42935804    -12.46941308
  H     15.74893430     11.99022182    -11.77690491
  H     19.11207012     17.28547157    -13.70259778
  O     21.44952749     13.63449786    -11.17573701
  H     16.78612048     11.55020453    -10.70639674
  H     22.80732813     16.42170901    -11.58549307
  O     17.44744812     10.30761700    -13.63860108
  H     19.29891607     12.44802441    -17.17161577
  H     23.73692513     16.24421835    -10.36027223
  O     20.90123973     14.98976454    -17.75365675
  H     20.64797720     11.77651877    -16.80793691
  H     19.19728855      9.70284104    -13.38253666
  O     22.42387507     17.20505936    -13.09660696
  H     21.27047502     15.40978177    -16.00130604
  H     20.59382807      9.98561208    -13.97884265
  O     18.81606099     16.56886806    -14.27816718
  H     20.42033610     15.84705038    -14.77589932
  H     18.55080731     11.84339904    -13.69714645
  O     22.88783389     15.99407030    -10.71361262
  H     19.69021249     16.16623922    -10.16573287
  H     19.81614860     12.76050696    -13.84790156
  O     20.13923865      9.73775738    -13.16667799
  H     21.14495720     16.67781462    -10.20879571
  H     17.73589807     13.99622124    -16.62499789
  O     18.85418097     12.73756676    -13.89919380
  H     21.59110187     13.93186191    -14.29368752
  H     18.14569850     12.98906008    -15.51515215
  O     17.67485629     13.06691951    -16.35934200
  H     21.66753848     13.23102229    -12.90197021
  H     17.93773914     14.00522092    -13.15181686
  O     17.37761776     14.70976537    -12.78435173
  H     18.89793485     11.59578994     -9.90062106
  H     16.47350729     14.38399497    -12.85064428
          69
 Energy    -249.83293325494265     
  O     11.86161777     11.14074866    -14.24005473
  H     12.49628416     11.86325709    -14.29595208
  H     15.28687936      6.12426869    -15.30908093
  O     16.07329429      6.90239532    -13.78906361
  H     12.12101572     10.51486492    -14.93198444
  H     19.00076293      8.55156607    -13.62330799
  O     17.37465671     10.38799218    -11.16648192
  H     17.03089123      6.99465637    -13.74472315
  H     18.86387949      7.60609789    -14.82018308
  O     17.56323180     10.47980768    -15.55566452
  H     15.74624884      7.76694747    -14.08878346
  H     15.08949214     11.42732497    -17.22463062
  O     12.12091842      6.68866651    -15.62824280
  H     16.96516056     10.19078457    -10.31172951
  H     16.29769053     11.69075712    -16.31536721
  O     15.78733136      9.56768803     -9.07091704
  H     16.66458104     10.77469236    -11.70023085
  H     14.42661395      9.37467398    -15.04395197
  O     14.42071001      7.08096123    -11.57078894
  H     18.11147077     10.61688410    -14.77329131
  H     15.16304821     10.00969566    -13.81704825
  O     15.16971338     11.28151483    -12.54154666
  H     16.74688130     10.04806130    -15.25391330
  H     11.31019851     10.26440601    -12.86342945
  O     16.07396662      7.82890152    -17.78877628
  H     11.38751689      6.14026817    -15.89299265
  H     10.19037571      9.97507841    -11.83323557
  O     16.19724096      6.72463473     -9.41995298
  H     12.05115803      6.80458920    -14.66289458
  H     17.90035995      8.55715920    -11.11328348
  O     18.70178831      8.22136593    -16.65655080
  H     14.95022329      9.70613854     -9.53365290
  H     18.49914928      7.40319903    -11.93388011
  O     14.84369293      5.98626288    -16.15680454
  H     15.88894662      8.61067062     -9.00090575
  H     11.59242256      7.96908045    -12.66789253
  O     18.83090220      7.62864959    -13.85571965
  H     15.02134500      6.95315826    -12.31951761
  H     12.77290224      6.99726100    -12.44240342
  O     15.45379585     12.06533587    -16.59872034
  H     14.91658654      6.84103652    -10.77887164
  H     19.98607256     10.82034459    -12.97456515
  O     15.24865213      9.37274367    -14.53859126
  H     14.73777332     11.96054175    -13.07280759
  H     18.58396498     10.47158409    -12.43025427
  O     11.06959183      9.71602754    -12.09430109
  H     14.51646853     10.85100436    -11.96841218
  H     15.09087152      9.18509431    -18.13013640
  O     18.16199446      7.62802581    -11.06049185
  H     15.62986283      7.13023003    -17.28400149
  H     14.31196952      9.97837634    -19.20700935
  O     11.98051196      7.14175269    -12.97617201
  H     16.98555208      7.84224586    -17.48251878
  H     13.91353226      8.79528679    -11.18070838
  O     19.15695158     10.41371154    -13.21402480
  H     16.49005461      6.03779049     -8.82751657
  H     12.68582963      9.74025269    -11.18915586
  O     14.48708967      9.93842928    -18.27091969
  H     16.95633211      6.94939035     -9.98838907
  H     14.51436097     12.68262150    -15.24467754
  O     13.61473517      9.68375089    -10.93429092
  H     18.34374299      9.07840757    -16.36774750
  H     13.98025894     13.94060902    -14.52395571
  O     14.02745285     12.99033472    -14.45965983
  H     19.41791561      8.41069411    -17.25859796
  H     13.32202560      9.50489357    -16.90863207
  O     12.89521670      9.33587753    -16.05908612
  H     13.90398322      6.12435463    -15.99050714
  H     12.60258815      8.41533679    -16.03368688
          69
 Ord_Energy   -249.832260    
 O    2.65125990     -0.491076976       2.67519569    
 H    1.94763899      -1.15076721       2.71965361    
 H    2.55958557      -5.69388382E-02   1.81673837    
 O   -4.42347336       1.66284335     -0.461008608    
 H   -4.51038837       2.62273359     -0.418573409    
 H   -3.86626029       1.39651847      0.282697946    
 O    2.37947965      0.984082222       4.92546082    
 H    2.55521822      0.472867340       4.11471462    
 H    3.10718942      0.818626523       5.51841593    
 O   -2.39861298       1.09408522       1.43029690    
 H   -1.79008377      0.387653828       1.17751741    
 H   -2.01496983       1.90832508       1.06922591    
 O  -0.239924476     -0.283696622       4.97313452    
 H  -0.134271726     -0.956082284       4.28828382    
 H   0.640572488       8.31805766E-02   5.11450291    
 O  -0.527915776       6.72443819       1.48477328    
 H   0.164286464       6.44592667      0.874655187    
 H  -0.244730875       6.45390272       2.36811185    
 O   -1.30021727       3.39445353      0.415322930    
 H   -1.80352223       4.10930395      0.828217149    
 H   -1.48526978       3.42765737     -0.531095564    
 O   0.616247773       3.95687747      -2.38731074    
 H  -0.344904840       4.02182007      -2.46656346    
 H   0.887900651       4.60649824      -1.72916222    
 O  -0.394381821     -0.658527136      0.566749454    
 H  -0.658416808     -0.700174391     -0.364287376    
 H   0.404288173     -0.112650000      0.579160392    
 O   0.273430854      -2.08506107       2.79298496    
 H   -5.22756614E-02  -1.66506195       1.97850955    
 H    9.58327204E-02  -3.01842928       2.70951700    
 O   -2.60721445       4.53216314       3.96099925    
 H   -2.40708423       3.59646964       4.09718132    
 H   -1.78969502       5.00969362       4.14459181    
 O    1.45572197       1.37322533      -2.42192912    
 H    2.03682065       1.26039839      -3.17007947    
 H    1.17771363       2.30596089      -2.42447472    
 O    1.26036656       3.36237621       1.32455349    
 H   0.349890083       3.34839773      0.985326171    
 H    1.20095575       3.28964376       2.28532100    
 O   0.803934872       3.10334063       4.04042196    
 H    1.41513181       2.45481825       4.41123295    
 H   -7.04230070E-02   2.68505025       4.01036310    
 O    1.93633401      0.883061886      0.321147293    
 H    1.88836443      0.975371957     -0.638334036    
 H    1.78354621       1.76663041      0.685923040    
 O   -4.40832806       4.56000805     -0.693201005    
 H   -5.18284988       5.09694719     -0.839181781    
 H   -3.95342040       4.93336344       8.19339678E-02
 O   -2.92583609       5.43121815       1.40554821    
 H   -2.17021966       6.03698730       1.36077011    
 H   -2.98587036       5.11866522       2.32093263    
 O  -0.859934926     -0.306917399      -2.09004617    
 H  -0.106217593      0.258724630      -2.29958510    
 H   -1.64831138      0.164911732      -2.38412094    
 O   -3.18523860       1.16392922      -2.81283832    
 H   -3.68213487       1.25649607      -1.97939634    
 H   -3.80072141      0.845209062      -3.46769285    
 O   -2.17549896       3.72367620      -2.23966622    
 H   -2.46239924       2.85987949      -2.56597662    
 H   -2.95471525       4.13427305      -1.84252834    
 O    1.55246866       5.60951614     -0.204086944    
 H    1.59077799       4.82656431      0.371862888    
 H    2.43387461       5.97501707     -0.230275407    
 O    3.93806212E-02   5.74028540       4.12943077    
 H   0.360730678       6.19081783       4.90703678    
 H   0.400525242       4.83903456       4.16040516    
 O   -1.67484379       1.85989571       4.01355982    
 H   -1.30313087       1.08218563       4.45515823    
 H   -2.02014828       1.55583191       3.16344857    
          69
 Energy    -249.83210763087507     
  O     10.73315519      9.74923493    -12.55020790
  H     11.53738684      9.97076276    -13.04511054
  H     15.85783328      5.16023993    -17.57687752
  O     14.18800469      5.97312474    -14.56434879
  H     10.20307805     10.54291009    -12.52708858
  H     17.89617502      7.75134631    -15.82932716
  O     17.22541054     11.02674484    -10.97241994
  H     13.45489519      6.54869167    -14.82875237
  H     18.16229786      6.46371709    -15.01430828
  O     14.76943918     10.61099337    -16.23464877
  H     14.68932953      5.76943358    -15.36377086
  H     16.74547778      7.21428673    -13.22602860
  O     12.27463126      7.79655510    -15.29587158
  H     17.45882551     11.89907786    -10.66742058
  H     15.31885700      7.17471096    -13.83181527
  O     16.18530931      6.79170893     -9.04993601
  H     17.79516475     10.83345742    -11.74018325
  H     11.00311555      7.08216535    -10.76119536
  O     13.72155583      5.33861876    -11.91288953
  H     14.69892984     11.30924302    -16.88065990
  H     11.03884823      8.59933683    -11.04567760
  O     14.94209043      9.73938877    -11.91122865
  H     14.57113768      9.77830318    -16.70167560
  H     19.35610575      8.11462587    -11.09482795
  O     14.12897453      8.22787484    -17.33922254
  H     11.43198634      7.52398108    -14.90610751
  H     20.80802644      7.82784245    -11.55405633
  O     16.55270710      4.98288863    -11.25712717
  H     12.55837535      8.58848124    -14.82030698
  H     10.58141224      4.59407591    -11.46354472
  O     17.18311041      9.44890804    -15.21995354
  H     15.35323589      7.11742311     -9.43432872
  H     11.91626994      5.29218540    -11.80096356
  O     15.68510984      5.83999775    -16.93117387
  H     15.98712569      6.51732670     -8.15792718
  H     19.25607253      9.48383025    -12.79340909
  O     17.99925626      6.79449521    -15.90855085
  H     13.88909935      5.48880444    -12.85543526
  H     18.31653098     10.06754304    -13.88193288
  O     15.96528644      7.75441720    -13.40992350
  H     13.86764287      6.17435216    -11.44637820
  H     18.85757651      6.65597695    -12.70618842
  O     11.24900036      7.93412330    -10.37850230
  H     15.36291387      9.02968821    -12.42660605
  H     17.71586341      5.60280833    -12.49411983
  O     19.91233403      7.91246080    -11.86960397
  H     15.65136628     10.28359961    -11.54929659
  H     17.81232417      9.41262813    -10.09561647
  O     10.95684574      5.42779347    -11.73586497
  H     13.35584215      8.01748219    -16.79623628
  H     17.53302109      7.98707430     -9.54474139
  O     18.77065771     10.27559690    -13.05459252
  H     14.69159075      7.44523078    -17.31344857
  H     14.27364751      8.46722153    -10.83009041
  O     18.18367951      6.13166546    -13.15841391
  H     15.62615362      4.87814772    -11.50132801
  H     13.01020818      7.79778473    -10.21682351
  O     18.22860520      8.57276687     -9.86782375
  H     16.54308534      5.51898612    -10.45476125
  H     13.73874237     10.06737248    -13.19851932
  O     13.96461206      7.69360103    -10.33951067
  H     16.48252669      9.96737587    -15.62975518
  H     13.64931628     10.43173096    -14.70266122
  O     13.12639105     10.13854302    -13.94615339
  H     16.73048460      8.85280439    -14.60247497
  H     10.29922722      6.55494653    -13.12989002
  O     10.07007607      7.22396451    -13.78735643
  H     16.55090873      6.14924207    -16.61001708
  H     10.12958522      8.07496523    -13.33503598
          69
 Energy    -249.83177823619593     
  O     12.50654694     10.22540594    -10.75859392
  H     12.27565601      9.36234879    -10.39760108
  H     15.35721595      7.78976257    -15.71437783
  O     12.66799684      6.30549325    -16.51546502
  H     13.44876387     10.34013887    -10.57609779
  H     12.55227985      5.04777247    -13.66938576
  O     16.32285075     12.10042458    -12.34135910
  H     12.09646891      5.99929376    -17.21385166
  H     13.84381164      4.46753932    -14.29166963
  O     14.68961960      7.01143273     -9.12193540
  H     12.68497494      5.60845612    -15.83400428
  H     13.01110453      7.40003483     -9.46941376
  O     18.79118935      9.14908845    -10.62391086
  H     15.64335549     12.15720187    -13.02240543
  H     11.52425073      7.35240695     -9.04851767
  O     12.12610138     10.85893874    -13.39369972
  H     15.93491509     11.59790701    -11.61086105
  H     19.25684341      4.36123338    -14.48100788
  O     18.81627830     11.17946547    -12.70834365
  H     15.45319294      7.57810320     -8.96525940
  H     18.52099564      5.59888428    -15.05343632
  O     15.30297560     10.29517037    -10.49501667
  H     14.90886419      6.44396163     -9.87351132
  H     13.51905958     11.62434513    -14.01383694
  O     14.83556916      5.76869338    -11.64118108
  H     18.83767633      9.91770571    -11.20390696
  H     14.15999012     12.61757889    -15.01479685
  O     18.21679831      6.86940562    -16.23008470
  H     18.85027758      8.39012891    -11.21979119
  H     12.45740504      7.67622484    -15.23141566
  O     15.73722182      4.92573901    -14.13567436
  H     12.00153294      9.99290837    -13.79741792
  H     13.44359329      8.62935930    -14.52764840
  O     15.39980581      6.91619397    -16.12803605
  H     12.18099962     10.70142030    -12.43775799
  H     15.44890560      8.98385558    -13.79759882
  O     12.89696816      4.58164281    -14.44268224
  H     19.43816824     11.90233817    -12.69416137
  H     15.00805785     10.23591515    -14.64928186
  O     12.10205952      7.56506595     -9.77704720
  H     17.93108961     11.56702693    -12.57853116
  H     12.29166688      7.13467372    -13.00333851
  O     18.56007101      4.98530081    -14.29705791
  H     15.76418454     10.00075828     -9.70169601
  H     12.03828254      6.81900898    -11.49801362
  O     14.36534676     11.91907503    -14.39968943
  H     15.45605817      9.59011520    -11.14265447
  H     17.59822518      8.94130388     -9.33868323
  O     12.55524843      8.25876501    -14.46760793
  H     13.89951929      5.91004054    -11.84627321
  H     17.29913268      8.96603140     -7.82383425
  O     15.27332951      9.30785994    -14.69719932
  H     15.23277467      5.38193562    -12.43262483
  H     18.55690845      6.47262921    -13.11492744
  O     12.24201638      6.41956010    -12.35352085
  H     17.26400754      6.83308280    -16.39388231
  H     18.50975521      7.97956855    -13.46779102
  O     16.88874564      8.85646991     -8.67767205
  H     18.38796251      7.75724278    -15.89325153
  H     15.39552167      7.43482832    -12.02296247
  O     18.48681510      7.35300515    -12.73004392
  H     15.60665696      5.62456878    -14.79202263
  H     16.79375101      7.98799919    -12.35115062
  O     15.86318151      8.23892837    -12.28332161
  H     16.68508384      4.74785156    -14.13377075
  H     18.49026466     10.01114022    -14.11139052
  O     18.19400379      9.31758042    -14.71771632
  H     14.50883986      6.71043942    -16.43639859
  H     17.24149214      9.43243390    -14.81576423
          69
 Energy    -249.83171277084597     
  O      9.63018299     10.33250277    -11.09466466
  H     10.43204339     10.51603876    -10.57239217
  H     10.16670377     11.12799460    -16.96813178
  O     14.14082508     10.74492802    -12.87520025
  H      8.90146109     10.30460469    -10.48101606
  H     13.48247809     13.48886303    -14.32628782
  O     16.52300719     13.38420751    -13.87771292
  H     14.91631188     11.12857475    -12.44794149
  H     13.37472002     13.95203222    -15.79818110
  O     15.94932388      7.90202135    -11.50657649
  H     13.50465499     11.46601934    -12.95189700
  H     16.62865684     11.47888106    -16.20337169
  O     10.42515629     11.50178671    -13.49012690
  H     17.00644299     12.84713859    -14.51636858
  H     18.06805430     11.83832607    -16.63720168
  O     12.03978770     14.19264930    -17.07659421
  H     15.69409375     13.62018337    -14.31503281
  H     13.88274768     13.69985968     -9.64385577
  O     14.87747227     11.32489832    -16.51722112
  H     15.95384570      7.56537534    -12.41032554
  H     14.58344126     12.72590764    -10.61551616
  O     12.57673812     13.06783528    -12.86747127
  H     15.02117571      8.04182578    -11.27352189
  H     17.84947663     10.16178213    -14.72013802
  O     14.14694464      9.10852166    -15.03181346
  H     10.02104301     11.15812541    -12.68315276
  H     17.95533134      9.69179725    -13.24245214
  O     17.71507183      9.93938169    -11.33911305
  H     10.78448358     10.74018837    -13.96913086
  H     11.04964767      9.51354989    -15.82138377
  O     11.97794460     10.74813295     -9.80195584
  H     12.27695084     13.40576065    -17.60062714
  H     12.33049387      9.15081267    -15.02491926
  O     10.46837459     10.31218024    -17.40857346
  H     11.90716833     14.90647134    -17.69473830
  H     16.58834590      6.54207095    -14.68992964
  O     13.99137334     13.60372426    -15.14281587
  H     14.61410679     10.50633501    -16.07262413
  H     16.85386635      8.02400072    -14.32174165
  O     17.53737872     11.60168844    -15.88045337
  H     14.55002947     12.07014135    -15.99096508
  H     13.52127231     11.57191888    -17.81936746
  O     13.71706895     12.99624330    -10.26669231
  H     12.78500701     13.14291040    -11.92893940
  H     12.03457702     11.21549090    -18.07508930
  O     17.91902732      9.38261343    -14.15531789
  H     11.73479142     12.60247545    -12.98047893
  H     10.33927485      8.72446138    -11.97754865
  O     11.37919074      9.30372258    -14.93898518
  H     14.19541498      9.68042929    -14.24775279
  H     10.97671687      8.35457235    -13.33140198
  O     16.17860959      7.32032030    -14.32221566
  H     14.76551434      8.38470631    -14.87913028
  H     16.30884644     12.68193537    -12.27200865
  O     12.72422798     11.85734517    -18.28502321
  H     17.08488897      9.19519418    -11.32636279
  H     16.71862782     11.48494655    -11.34094959
  O     10.89860642      8.06925704    -12.41171414
  H     18.42523875      9.70684964    -10.74662172
  H      9.97164699     12.36575132    -15.11101011
  O     16.06778135     12.18592939    -11.47250456
  H     12.56906593     11.50630765     -9.86249398
  H     10.54839795     13.23940355    -16.26111061
  O      9.87389796     12.58363390    -16.04740860
  H     12.48650854      9.98281568    -10.10524921
  H     13.57620439      9.40574129    -11.77824865
  O     13.29913790      8.68996254    -11.18730384
  H      9.75230009     10.01769717    -17.96531614
  H     12.49881172      8.31176000    -11.58003691
          69
 Energy    -249.82865792632472     
  O     12.69514322     11.32919769    -15.78429076
  H     12.06582125     11.12691186    -15.08202826
  H     17.95768421      6.25546929    -14.41028170
  O     14.26134219      6.24219792    -13.60512469
  H     13.36318339     11.91103822    -15.40152282
  H     16.55248473     11.30136077    -17.03529222
  O     16.48687618      9.14715048    -11.12840709
  H     14.97456024      6.20719660    -12.95298122
  H     17.53124477     11.35564688    -15.84221224
  O     18.98696218     10.37964997    -15.21559004
  H     13.46136421      6.48332489    -13.12192017
  H     14.69940617      8.78741404    -15.64317262
  O     12.37215791      6.87664561    -16.87831948
  H     15.87054188      9.18749142    -10.38843353
  H     14.76265563      7.77809025    -14.44417486
  O     12.15897879      7.14685934    -12.06243537
  H     16.10112300      9.72024749    -11.80951880
  H     10.86617206      9.55902772    -14.09436502
  O     15.15303662     10.57598285    -13.05178732
  H     18.84020198      9.85472178    -14.41033644
  H      9.95944155     10.75862778    -13.72837999
  O     18.38254319      8.67775248    -17.45161639
  H     19.84606373     10.78365021    -15.11820701
  H     11.47153474      7.49581149    -15.28158634
  O     13.89703330      6.40190414    -10.04058473
  H     13.16727587      6.34088971    -16.70796502
  H     11.29037427      7.43451613    -13.73576415
  O     17.14043272      6.83344176    -15.86183903
  H     11.83626734      6.38105727    -17.49255106
  H     18.05217972      9.01490911    -12.24238704
  O     14.61462547      5.48967015    -16.23150540
  H     12.34370069      8.09261520    -11.97966865
  H     18.66098005      7.91126265    -13.13148615
  O     18.36690607      6.06608769    -13.54797512
  H     12.60558132      6.73271074    -11.30910365
  H     17.02789103      6.15123125    -12.23474531
  O     16.77882293     11.80699056    -16.24584216
  H     15.22366425      9.88598081    -13.73124763
  H     16.35937107      7.34150458    -11.50595962
  O     15.19010768      8.54798352    -14.84628635
  H     15.09181544     11.42228547    -13.50831821
  H     13.86996776      9.70508032     -8.69058218
  O     10.86950343     10.47574974    -13.76135130
  H     17.64338367      9.13253115    -17.87499847
  H     13.59399185      9.51377975    -10.19757119
  O     11.00819604      7.89511569    -14.53706902
  H     18.67166755      9.25635960    -16.73395287
  H     15.88978512     10.34293808    -19.31899023
  O     18.65736718      8.86372648    -12.97766777
  H     14.00146212      7.29215127     -9.68207874
  H     15.25424260      9.76780506    -18.03412327
  O     16.26246066      6.39827893    -11.70096753
  H     14.73238289      6.20330818    -10.48187672
  H     12.06445810     10.20846642    -12.34971610
  O     14.15651225      9.22130136     -9.46152291
  H     17.65937148      7.33068425    -16.50949268
  H     13.60545662     10.15470569    -12.24321291
  O     16.08342806     10.10136256    -18.41659973
  H     16.52286846      7.47498039    -15.48123269
  H     15.56906946     12.51154345    -15.27681799
  O     12.78765094      9.90448541    -11.78751374
  H     15.52189929      5.79699306    -16.33984767
  H     14.97163106     13.76813454    -14.59546004
  O     14.86183366     12.82562856    -14.68208286
  H     14.45019966      5.54415932    -15.27737052
  H     13.22178807      8.50079155    -17.17438717
  O     13.79938962      9.27317446    -17.16488828
  H     19.02864244      5.39605644    -13.69771067
  H     13.33105800     10.01021782    -16.73952982
          69
 Energy    -249.82850769374096     
  O     -5.83147196      1.60093703      1.39313820
  H     -5.51736567      1.77670006      2.28892627
  H      2.46015709      2.31357034      1.23704425
  O     -6.47158261      2.05470048     -3.48585292
  H     -5.59084047      0.68244911      1.19852959
  H     -0.83096247      4.09428349     -0.11659892
  O     -4.50806721      1.94539662      3.85550800
  H     -7.14942196      2.51811415     -3.96991682
  H      0.44978767      3.21678209     -0.23698716
  O     -0.28003443     -1.82217410      0.58641221
  H     -6.82415056      1.89565145     -2.59104229
  H     -4.07337006      3.00601461     -0.83892464
  O     -2.75141004     -1.06871191     -0.47475425
  H     -4.82142303      2.20363532      4.71853618
  H     -4.77606727      2.76929812      0.53989326
  O     -5.74857356     -0.74106003     -3.46446842
  H     -3.69381801      2.45264533      3.69129474
  H      0.54441590     -0.61469980     -0.48693541
  O     -5.13720803     -1.04474625      0.86255135
  H     -0.42924358     -1.73288690      1.53391695
  H      1.24565583      0.76199665     -0.49024360
  O     -3.02160648     -0.22669048     -3.09053335
  H     -1.15957672     -1.77585265      0.18582975
  H     -7.66025979     -2.15611364     -1.36455331
  O     -3.88757946      2.38155469     -2.46159044
  H     -2.86730198     -0.96757138     -1.42796989
  H     -6.55807730     -1.28758077     -2.01519040
  O     -0.29696432      0.34995768     -3.49825772
  H     -2.42319403     -0.21043053     -0.16316394
  H     -0.44546581      0.41228597      2.92142363
  O     -0.97743474     -1.30092455      3.35099032
  H     -4.78211903     -0.72276666     -3.44935633
  H     -0.97505543      1.28805317      1.76343106
  O      1.61016825      2.17736971      0.82676765
  H     -6.02349596      0.16711496     -3.64021120
  H     -3.91797586      0.15364487      3.51920757
  O     -0.32325063      3.53563018     -0.71995342
  H     -4.29860106     -1.11984668      0.38103550
  H     -4.19770873     -0.96905769      2.50023469
  O     -4.08964951      3.28018965      0.09149007
  H     -5.82940580     -1.30532912      0.24356425
  H     -2.77007052      1.99365317      0.35078587
  O      0.86721237      0.09191483     -1.06644745
  H     -3.32265853      0.64862308     -2.80379041
  H     -1.35064631      1.97276113     -0.24057228
  O     -7.03581430     -1.45878538     -1.18357737
  H     -2.09212261     -0.12696792     -3.33139051
  H     -2.36820566      5.84935264      0.94938379
  O     -0.36476078      1.28583376      2.51921331
  H     -4.67282201      2.42978732     -3.01898255
  H     -2.89955911      4.42438065      0.66127570
  O     -3.62336587     -0.71954023      3.23520120
  H     -3.10237039      2.72480904     -2.91600664
  H     -7.40310648      0.41430734     -1.02083212
  O     -1.96980144      1.45786487      0.29211001
  H      0.13284156      0.25301205     -2.62942268
  H     -6.98351694      1.60707808     -0.14909112
  O     -2.13301728      4.92588306      0.99382435
  H      0.31528879      0.00530087     -4.14294438
  H     -1.47433053      2.63330565      3.20791528
  O     -7.37776422      1.37976077     -0.99955675
  H     -0.82736166     -1.91457488      4.06477903
  H     -2.11679051      3.90994219      2.62890860
  O     -2.18906304      3.26900871      3.34555578
  H     -1.93818951     -1.14140334      3.31772061
  H     -0.94161680      3.31133680     -2.47458749
  O     -1.36676167      3.00430382     -3.28725577
  H      1.00964993      1.85954683      1.52223329
  H     -0.95231880      2.15505246     -3.48497282
          69
 Energy    -249.82797536332373     
  O     16.42627543     12.00606963    -18.21604531
  H     16.42414449     11.48170900    -19.01262825
  H     15.42498415     13.68766268    -17.92963645
  O     18.43013869     17.69590967    -13.98111006
  H     17.22365923     12.56298663    -18.24683355
  H     18.12905609     14.66948408    -18.36527652
  O     20.71109239     11.63900071    -15.28311881
  H     18.37070029     17.90988556    -13.04279903
  H     18.34187347     13.87503153    -17.05659499
  O     16.73029504     15.25928695    -11.57650049
  H     17.67918476     17.10671265    -14.15298896
  H     14.70030652     12.46502367    -10.75327148
  O     13.92651200     15.14428243    -15.36683326
  H     19.99567358     11.04774965    -15.02974404
  H     14.96169492     12.79902841    -12.24315679
  O     17.87682561     11.56786654    -11.90114707
  H     20.67272115     12.35711507    -14.63352491
  H     21.30637044     16.40446249    -14.76970871
  O     14.42391413     12.76253897    -13.86694672
  H     16.59172330     15.44533479    -12.51690148
  H     20.10018414     16.89438135    -13.92803203
  O     21.13320329     13.57256784    -17.24966365
  H     16.19163367     14.48427910    -11.37246942
  H     18.32886821     14.35605868    -11.20916516
  O     21.57702632     16.15665477    -16.59033107
  H     13.08829385     15.57243318    -15.51729205
  H     19.80952173     14.63362142    -10.88790067
  O     18.09317343     17.64301714    -11.14054104
  H     14.29526147     14.93115598    -16.24326174
  H     17.05154673     10.93465585    -15.10944542
  O     20.14061452     13.80148250    -13.65398482
  H     16.98432393     11.88048459    -11.71221609
  H     16.36880558     11.52178742    -16.40160378
  O     15.09483237     14.56992565    -17.72873354
  H     18.46190540     12.22234865    -11.49882273
  H     19.86976308     16.97481955    -16.75727560
  O     18.44607787     13.82536798    -18.02183118
  H     15.03164020     12.26459390    -14.43175225
  H     18.79880578     17.63885354    -15.86232129
  O     15.34831965     12.83150551    -11.34863113
  H     14.17185537     13.54956081    -14.36300655
  H     19.87282226     16.84639852    -10.96245402
  O     20.95508217     16.44420097    -13.87102952
  H     20.28004252     13.59049797    -17.70090669
  H     20.96294415     16.36713424    -11.93143953
  O     19.17728330     13.91889904    -11.05313790
  H     21.08566543     12.82950002    -16.63135476
  H     18.59054971      9.25843998    -13.92681431
  O     16.36917132     11.53724377    -15.43636961
  H     21.46145020     15.21374534    -16.80570935
  H     18.26986716     10.64958342    -13.33811255
  O     18.98178094     17.35385484    -16.76515263
  H     22.35901625     16.44679217    -17.05253354
  H     18.71754852     13.76577454    -14.75136951
  O     20.64311983     16.26843684    -11.02527228
  H     17.56191627     16.83070568    -11.18472965
  H     17.40999615     13.04619813    -15.24317870
  O     18.42517457     10.16589996    -14.16992943
  H     17.69201947     18.19476419    -10.47339261
  H     17.81897024     16.71877585    -17.87516514
  O     17.93609997     13.85304766    -15.31470560
  H     20.50644476     14.68947472    -13.75624938
  H     17.18308466     16.89625915    -19.27175077
  O     17.23654127     16.29647398    -18.53242452
  H     19.83050504     13.73826696    -12.74230552
  H     16.95333602     15.15918529    -14.69376954
  O     16.41353074     15.84878938    -14.27561983
  H     15.78532522     15.19014269    -17.99673873
  H     15.51547434     15.74065990    -14.60729405
          69
 Energy    -249.82794522871535     
  O      0.52336066      1.88423038     -2.14028398
  H      1.21579891      2.48710386     -1.82585912
  H     -2.57910078      0.49281500      1.86251457
  O      2.31529749      3.56292583     -0.93602148
  H      0.94418617      1.09747917     -2.50647857
  H     -0.58380555      0.08617886      1.57940037
  O      2.71259427     -0.17837006      3.88698323
  H      3.06840224      3.11672593     -0.53206464
  H     -0.92596617     -1.37885913      1.92406699
  O      0.58335271      1.02062801      0.60071426
  H      1.73767438      3.80858465     -0.19841252
  H      1.45240110     -1.90520509      1.29184429
  O     -1.97456249      2.91795282     -2.08351677
  H      2.59369334     -0.64355091      3.04644160
  H      1.65266892     -0.38863769      1.08327641
  O     -2.13914211      3.50647617      0.66364773
  H      3.18051459      0.63424534      3.66945510
  H     -2.64670455      4.38373024      2.24626997
  O      1.69211272     -0.55978324     -2.75131346
  H      0.45241369      1.09477101     -0.35113752
  H     -3.44546194      3.84819589      3.44730926
  O     -2.60404014      0.28755724     -1.10047795
  H      0.66196491      1.92996144      0.91396216
  H      0.49754409      3.77948951      4.36330568
  O      4.36874188      2.13479793      0.47896420
  H     -1.06491067      2.57953844     -2.16721949
  H      0.73115087      2.27493212      4.06368949
  O     -0.59858025     -1.63444431     -1.31751810
  H     -2.18768179      3.34407334     -2.90922172
  H     -0.36242495      0.18693114      3.70211439
  O     -0.92973064      4.68801913      5.06309340
  H     -2.51043205      2.66997200      0.98117143
  H      1.02428991      0.24360266      4.39148669
  O     -3.26298288      1.11862863      1.57990364
  H     -2.14395366      3.45255677     -0.29983046
  H     -3.42739466      2.05003189      4.63107896
  O     -1.11170477     -0.46732737      2.17765055
  H      2.41313046     -0.49406067     -2.09986421
  H     -4.97223924      2.03185060      4.54677539
  O      2.11160462     -1.20259845      1.34513956
  H      2.05765568     -0.98292538     -3.52352494
  H     -1.25723302      1.45343699      5.33206722
  O     -2.86368340      4.56707370      3.16947901
  H     -2.50492548      1.14462310     -1.53052742
  H     -1.60620383      2.93088752      5.60185422
  O      1.08342530      3.16368476      3.90481254
  H     -2.99095624      0.47889443     -0.23778372
  H      3.89362996      0.51409872     -0.45893726
  O      0.12847772      0.61017593      4.41963910
  H      4.10781820      2.24529206      1.40569215
  H      3.21819064     -0.80748062     -0.07348132
  O     -4.18382328      2.17277192      4.02960646
  H      5.28407815      2.40316335      0.42351032
  H      0.70468421      3.65783917      2.18521804
  O     -1.97501308      2.03988329      5.60770637
  H     -1.31155579     -0.97815453     -1.30899391
  H     -0.38902300      3.74049542      1.07031169
  O      3.59161114     -0.32483274     -0.82479949
  H      0.11404091     -1.29188245     -1.86614769
  H     -0.40108933     -3.77555965      0.98787787
  O      0.56525790      3.73807261      1.23371109
  H     -1.60763660      4.72145195      4.36358099
  H     -0.34016175     -2.47452268      0.14658676
  O     -0.16480536     -2.85384332      1.02925390
  H     -1.02222912      5.48737319      5.57394810
  H      2.77898844      2.80398412      3.43900580
  O      3.66728543      2.50216024      3.18673041
  H     -3.70520606      1.41838055      2.38331674
  H      4.26384586      2.86002073      3.84137108
          69
 Energy    -249.82752993892416     
  O     16.34425444     10.79266542    -11.35286997
  H     15.60924255     10.24935410    -11.66921920
  H     13.82545169     10.46164365     -7.20683744
  O     15.19311660      6.39476708     -6.38948478
  H     17.15009991     10.36785113    -11.67878789
  H     11.37009693     10.23098722     -7.80637051
  O     16.64242779     13.21254877    -10.12843614
  H     15.61169312      7.20614337     -6.04974422
  H     12.30324366      9.70671827     -8.91979924
  O     12.69636950      7.03993617     -7.61484825
  H     15.32435679      5.72091430     -5.72802377
  H     16.17069693      7.75948800     -8.96084500
  O     14.58490249      8.92689133    -12.38624753
  H     16.27463504     13.92452811    -10.64605010
  H     15.90056731      6.48802251     -8.12446924
  O     18.46931806      9.26564712    -12.25515584
  H     16.46155069     12.39059309    -10.61486189
  H     18.10856959     12.47929033     -6.89699540
  O     20.62316464     10.56553032    -11.07837143
  H     12.58025799      7.99668405     -7.56915895
  H     19.39498797     12.69830967     -6.06129982
  O     18.32904650      6.90791038    -10.78058551
  H     13.51700234      6.83131712     -7.15280035
  H     16.98411659      8.76028910    -15.13855896
  O     12.03223530      6.36641189    -10.14668293
  H     14.59946117      8.05508744    -11.96261926
  H     17.40022078      8.82615349    -13.65213645
  O     16.45907531     12.82538744     -7.28658334
  H     15.14366087      8.84162796    -13.16836415
  H     17.18273048      9.57309610     -8.38935693
  O     12.35787743      9.17734682    -10.59910662
  H     19.27091492      9.72852282    -11.98068119
  H     16.42718950      9.99083810     -9.70941339
  O     14.74515316     10.62675287     -6.96986272
  H     18.40985104      8.46185191    -11.71658311
  H     19.38129466     12.40284865     -8.65612704
  O     12.23521214      9.85964887     -7.96075772
  H     20.19463454     11.27214776    -10.56212183
  H     18.48950180     12.80563176     -9.84311322
  O     16.17721710      6.78966779     -8.99635818
  H     21.48708455     10.88611929    -11.32232134
  H     17.18398805      8.90784441     -6.04236065
  O     19.04777834     12.22935753     -6.81478174
  H     17.67350711      6.79783829    -10.07838101
  H     15.74189093      9.42717084     -5.86551064
  O     16.70089133      8.52822001    -14.25769828
  H     17.97041126      6.43783496    -11.54759177
  H     13.70444752      6.24398750    -10.95067805
  O     16.35204219      9.50188285     -8.88361587
  H     12.25950494      6.52700041     -9.21228675
  H     15.14371495      6.46616636    -10.42436440
  O     19.35732104     12.44956669     -9.62022494
  H     11.27497121      5.78792775    -10.15218406
  H     19.64948030      7.78206938     -9.71358297
  O     16.34245747      8.71554448     -5.60712938
  H     16.40356230     13.00648975     -8.23275996
  H     20.41378730      9.11761846     -9.80396342
  O     14.61507290      6.39003938    -11.23298624
  H     15.78732180     12.15785188     -7.09224342
  H     18.83414143     10.39340569     -7.02845368
  O     20.13299126      8.43192922     -9.18706742
  H     13.03508273      9.25440817    -11.28075762
  H     19.19102001      9.08719808     -7.81954553
  O     18.54700205      9.49217510     -7.21922268
  H     12.14332919      8.23638226    -10.55003171
  H     16.01510397      5.93755865    -12.42203920
  O     16.84867458      5.94665857    -12.91357480
  H     15.27118091     10.21786378     -7.67638335
  H     16.77622009      6.68623004    -13.52704190
          69
 Energy    -249.82724407232928     
  O      1.03616045      2.70294364      2.85903190
  H      1.73450807      2.04446452      2.94188740
  H     -3.87996926      0.39129077      4.44666656
  O     -0.26347808      3.55042125      0.61519047
  H      0.35136938      2.45472718      3.49607367
  H     -2.76156652     -0.79244780      0.16636668
  O     -0.17242957     -2.11039147      4.37329889
  H      0.24256484      3.25392217      1.39216164
  H     -2.24205948     -2.14540463      0.75095809
  O      1.57034759     -2.95778770     -2.31991873
  H     -0.14146336      4.49461089      0.55693552
  H     -1.30298449     -3.75347727     -1.10599842
  O     -2.29593950     -1.45446472     -3.25061002
  H     -0.49211362     -1.63624612      5.15029156
  H     -0.25840826     -3.55815729     -2.21531679
  O      0.45465376     -0.61386948     -3.15224777
  H     -0.35522630     -1.52183551      3.62323199
  H     -0.96406320      0.47638047      2.99795700
  O     -3.72977852      2.06692591      3.48559700
  H      2.20542378     -3.25331017     -2.96688289
  H     -1.58136864     -0.54718575      1.97119820
  O     -2.45781804      0.41240166     -1.16151299
  H      1.25200165     -2.08718793     -2.61959611
  H      1.67422245     -2.93294574     -0.43401692
  O      0.14934098      1.44794736     -1.23759143
  H     -2.85742613     -1.71425671     -3.97583249
  H      1.48391426     -1.75490638      0.53381217
  O     -3.91410878     -2.50264094      3.24087047
  H     -1.98805631     -2.27533225     -2.82575660
  H      1.60242859     -2.17684615      3.71814714
  O     -1.60272000     -4.26582920      3.43278010
  H     -0.47040323     -0.82720236     -3.32716300
  H      2.21777604     -2.46357435      2.33156066
  O     -3.74991236     -0.39122097      4.99343173
  H      0.44238797      0.19252640     -2.62127669
  H      0.56551557     -0.05177505      1.31479852
  O     -2.80680987     -1.37923305      0.93164992
  H     -3.46441204      2.12122474      2.55013678
  H      2.06688787      0.30622953      1.29732168
  O     -1.20785969     -3.63825510     -2.06064916
  H     -4.42640819      2.70702150      3.60617445
  H     -2.01345162      1.96827869      4.18007716
  O     -0.77150749     -0.27214935      2.42147259
  H     -1.55757841      0.76612955     -1.20111872
  H     -1.11133136      1.10249753      5.10729015
  O      1.53415903     -2.72258962      0.49769584
  H     -2.54696320     -0.17329876     -1.92387121
  H     -2.28072674     -0.43934023      5.85716010
  O      2.40055694     -2.05635932      3.18741862
  H      0.03076328      2.29097445     -0.78494882
  H     -1.50262031     -0.35794316      7.19582044
  O      1.34219295      0.01100332      0.73403174
  H      0.64333908      0.89807027     -0.60848388
  H      3.97533140      0.71880888      3.03037128
  O     -1.09590736      1.73746874      4.38014448
  H     -3.70362444     -2.08965508      2.39142615
  H      2.85410638     -0.34198962      3.06621761
  O     -1.38773601     -0.39101353      6.25042011
  H     -3.26220399     -3.20264174      3.35373741
  H     -0.18018698     -3.31209793      0.72576568
  O      3.04383541      0.59250385      2.86939752
  H     -1.47437858     -5.05127615      3.95847256
  H     -1.28743183     -3.95511820      1.61216254
  O     -1.11134439     -3.57701876      0.74245522
  H     -1.06966629     -3.56298126      3.84106531
  H     -1.98088476      2.76973420      0.84693977
  O     -2.81583076      2.29661857      0.95120253
  H     -3.88832302     -1.15904832      4.41829672
  H     -2.87611711      1.69129852      0.20285069
          69
 Energy    -249.82646914465164     
  O     11.07363962      9.91672440    -13.82892437
  H     11.49247751     10.74781636    -13.57844606
  H     15.48437009      6.08511550    -15.61144776
  O     15.77831757      6.20662191    -13.81299129
  H     11.56854323      9.60169734    -14.59903073
  H     14.69740327     11.59103200    -15.73019969
  O     16.46473477     10.56092500    -10.92763612
  H     15.23820905      5.92000273    -13.06287544
  H     15.57600825     11.68663859    -14.47397074
  O     16.81373879     10.46568828    -13.72720432
  H     16.69976941      6.22646420    -13.53376383
  H     15.02568653      7.86063990    -13.78728439
  O     12.43181993      6.25110513    -16.35982758
  H     15.50037863     10.53537603    -11.00164718
  H     13.98585000      8.81492143    -14.44649236
  O     14.68210505      7.11696274     -8.54653636
  H     16.77751937     10.61109657    -11.83907286
  H      9.63127302      7.76247307    -12.06388193
  O     14.05498946      5.61450804    -11.74775767
  H     17.54490759      9.97933582    -14.12265883
  H     10.72927246      8.57668212    -12.78664989
  O     13.78627630     10.18554982    -11.56231361
  H     16.05154260      9.86593338    -13.76813940
  H     17.53864449      7.23389993    -10.05712458
  O     16.57785945      8.61418003    -16.91317814
  H     12.27954200      6.04261371    -15.41999234
  H     17.07327640      5.77761561    -10.24711617
  O     15.59954934      4.78472710     -9.54478871
  H     11.80300585      5.73762787    -16.85938585
  H     12.69978943      5.56715395    -13.09444494
  O     18.66054339      8.64032041    -14.86108633
  H     15.40448909      7.74660625     -8.66765782
  H     11.45008457      6.44903414    -13.25669928
  O     15.28527981      6.20609439    -16.55090634
  H     13.95334774      7.41523469     -9.10741311
  H     19.06185171      5.67332954    -13.22497107
  O     14.77321020     12.03980822    -14.87955980
  H     13.67494172      6.41331465    -11.35414411
  H     18.28400378      6.49281880    -12.16954033
  O     14.63391363      8.74097967    -13.73503818
  H     14.53613804      5.16765725    -11.04142513
  H     16.84412037      9.39605294     -9.73146212
  O     10.56754439      7.78448403    -12.24266102
  H     14.06783003      9.63129461    -12.30947641
  H     17.50018573      9.12332350     -8.35924541
  O     17.70770831      6.43028914    -10.56558531
  H     13.34485493     10.94855871    -11.95258780
  H     15.38177266      9.81878181    -17.14751673
  O     12.00763799      5.81169539    -13.72027168
  H     16.15358493      7.74311793    -16.86727054
  H     14.69356932     10.76696501    -18.15812607
  O     18.52445824      6.45406223    -13.11345835
  H     17.29550994      8.60479032    -16.27338278
  H     13.15507767      8.71172025    -10.78377889
  O     17.00317463      8.70898436     -9.05962922
  H     15.24989359      5.57398634     -9.08971323
  H     11.96418653      7.76063171    -10.98600674
  O     14.64539028     10.44813972    -17.26122321
  H     15.57057871      4.06821449     -8.91722718
  H     12.44546138     13.12126614    -13.03647348
  O     12.81511644      7.83861598    -10.53743300
  H     19.57578421      8.75750013    -15.10643722
  H     13.40261775     12.17890273    -13.80020420
  O     12.66513223     12.20256014    -13.16411904
  H     18.63407616      7.89590612    -14.24045468
  H     13.32683547      9.45680551    -16.43195264
  O     12.75882573      8.97537781    -15.81700703
  H     14.32517709      6.14840776    -16.61282542
  H     12.64421935      8.07195167    -16.13890542
          69
 Energy    -249.82629642348047     
  O     11.02316060     10.40457483    -11.13581653
  H     11.81011359     10.81319352    -11.51546459
  H     15.05743378     13.55165471    -14.56943405
  O     13.41023185      7.30729378    -14.63052831
  H     10.48689011     10.11419106    -11.88499473
  H     16.02172793      9.15980654    -13.89074302
  O     17.57846685      9.93297015    -10.78561606
  H     14.19433158      7.73233856    -14.24771730
  H     15.39006215      8.74343428    -12.53015802
  O     12.09537819      9.70495030    -14.65143329
  H     13.10626730      6.68502789    -13.95797843
  H     11.06305842      9.02232033    -10.05531017
  O     15.99433581      5.78339904    -10.35727420
  H     18.09166229     10.12753036    -11.57720371
  H     10.56635092      8.33718586     -8.75981586
  O     12.90079892      5.68500766    -12.42316359
  H     17.83217398      9.03484131    -10.53171567
  H     18.43004368      6.83014539    -13.54426532
  O     14.88326073      9.53236887    -10.96883315
  H     11.19984019      9.57360667    -14.31833691
  H     18.83783376      7.23528133    -12.11041328
  O     15.90069164      9.47690027    -17.17484106
  H     12.50073284      8.82681588    -14.71224960
  H     11.11844268      6.32343902    -12.24052599
  O     15.37714641      4.30545336    -12.73109522
  H     15.81313338      5.18839020    -11.09383202
  H     10.50055293      7.19225876    -11.12740144
  O     16.86558025     10.50755445    -14.80245146
  H     15.16170439      6.23481402    -10.16452765
  H     19.12569266      9.10295561    -13.23402181
  O     15.40941316      6.69658550    -16.55171855
  H     13.63834242      5.07843159    -12.55800862
  H     20.01673825     10.36815619    -13.25757099
  O     15.04534737     12.61341491    -14.40098772
  H     13.14981217      6.24209785    -11.66974734
  H     16.45551940      6.90979629    -13.80738088
  O     15.60629934      8.42977027    -13.41595109
  H     15.79505268      9.82729838    -10.82603149
  H     16.47346213      6.16221788    -15.14487731
  O     11.04368300      8.17815725     -9.56944355
  H     14.39101595     10.20720365    -11.45536747
  H     18.80511086      6.89396108     -9.58416706
  O     19.04479184      7.38040141    -13.04364866
  H     16.44920575      9.72640149    -17.91562278
  H     17.45801711      6.69301372    -10.31194619
  O     10.35338232      6.87200095    -12.02667859
  H     16.33711534      9.82295273    -16.37856778
  H     13.07349478     10.69853297    -15.85298133
  O     19.10870110     10.07774908    -13.25273878
  H     15.91250524      4.88003717    -13.30407327
  H     14.34055692     10.57617605    -16.73685256
  O     16.80483886      6.11221292    -14.23675642
  H     15.59617485      3.40651154    -12.96294662
  H     14.06404500      8.07601410    -10.43416521
  O     18.28322267      7.21001961    -10.31713103
  H     17.68868574     10.47586691    -14.29641167
  H     12.75339664      7.49410571     -9.85156778
  O     13.75182315     11.21226604    -16.31453098
  H     16.37687944     11.30724598    -14.56814921
  H     13.92395009     11.79112775    -13.07985992
  O     13.61032621      7.24634891    -10.21744404
  H     15.59005388      7.59053222    -16.86605743
  H     12.94041183     10.62434888    -13.29705436
  O     13.35573214     11.16945041    -12.61182051
  H     14.58837086      6.77154554    -16.04630075
  H      9.88977209      8.28806080    -12.93697558
  O      9.68607458      9.15124361    -13.34066893
  H     14.55221126     12.19882570    -15.13439607
  H      8.76997292      9.12373099    -13.60256695
          69
 Energy    -249.82596340785062     
  O     14.22339978      5.45382464     -9.29574780
  H     15.08504379      5.24826861     -9.68574620
  H     15.53409734      9.05454358    -12.41815932
  O     14.84160225      7.34868814    -16.70942240
  H     13.56678857      5.21297721     -9.95828078
  H     14.50367344      6.94319231    -12.66009951
  O     17.72348633      8.77070589    -14.40316425
  H     14.08961592      7.70580699    -16.21805344
  H     13.71415614      8.01535271    -11.83029487
  O     14.71542888     11.96350461    -12.99208646
  H     15.39643932      8.11030345    -16.91768367
  H     13.41802925      4.79741621    -12.16683953
  O     10.68372754      9.16581433    -13.48998822
  H     17.25995868      9.16707911    -13.65201077
  H     12.31070917      3.80958187    -11.74683606
  O     19.23100721      4.53684086    -11.32349798
  H     18.62072539      8.55794948    -14.11736345
  H     20.05123034      7.77243518    -12.52936856
  O     17.04420142      8.10901906    -10.14908347
  H     14.82531989     12.90998796    -13.02020845
  H     21.10341723      8.19877347    -13.58123624
  O     12.36651872     10.83923269    -11.76757069
  H     14.64012139     11.65936555    -13.91552065
  H     15.53981987      5.44667597    -13.64361344
  O     19.06167855      5.29148869    -13.92044423
  H     10.72661344      8.38063310    -12.91515300
  H     15.63814717      5.18126613    -12.11340116
  O     14.48810274     10.93714265    -15.46492221
  H      9.75876623      9.33923601    -13.64340435
  H     17.08894435      9.34548001    -15.97105026
  O     13.00520372      8.62573229    -14.95814951
  H     19.77116273      3.75837653    -11.22190953
  H     17.31217403      9.83184037    -17.42171483
  O     16.23348858      9.71408101    -12.27498501
  H     19.17103850      4.71868281    -12.27919712
  H     15.95266518      6.43400229    -15.61431572
  O     14.27172753      7.87760941    -12.60792533
  H     16.81968196      8.74609264    -10.84189441
  H     16.95765962      7.07795617    -14.64863913
  O     12.61731593      4.70538443    -11.62445542
  H     16.34819690      8.16371898     -9.48231291
  H     19.60497723      6.38377336    -10.87819927
  O     20.20211207      7.90456953    -13.48292013
  H     13.11321084     11.24998387    -12.21904855
  H     18.84144807      7.68016090    -10.51690393
  O     15.02397151      5.20452202    -12.86211768
  H     11.81344953     10.42690103    -12.44245582
  H     11.48133292      7.57957893    -11.09617589
  O     16.63429780      9.62523017    -16.78353659
  H     19.52621228      6.13753014    -13.92074962
  H     11.41976368      6.22337362    -11.80573673
  O     16.57566145      6.22702096    -14.90230557
  H     18.21526986      5.44934049    -14.35840099
  H     16.81423972      6.32230937    -10.52915383
  O     19.66853476      7.34695754    -10.88911990
  H     13.89584643     10.17899007    -15.35945920
  H     17.52941168      4.97030261    -10.80603811
  O     10.97784455      7.07783715    -11.75511538
  H     15.22643368     10.61910415    -15.99700811
  H     14.73070425      8.02727102     -7.47512074
  O     16.66579778      5.37464623    -10.65941428
  H     12.10938898      8.80982839    -14.65207639
  H     14.53549706      7.05325900     -8.66286171
  O     14.79535694      7.96253336     -8.42438069
  H     13.48741603      8.34387714    -14.16647738
  H     13.44288964      8.57081502     -9.62055535
  O     12.79841929      8.57388562    -10.33449038
  H     15.82161329     10.57483740    -12.41518874
  H     12.68771609      9.47705772    -10.67242549
          69
 Energy    -249.82586688197614     
  O     12.47585884     11.34675848    -14.79526646
  H     12.37955926     10.84778314    -15.61584678
  H     17.32765241     10.19104699    -15.67228452
  O     15.20064936      6.20751034    -12.97414289
  H     13.32107977     11.80619609    -14.85728601
  H     15.15498176      7.77755120    -13.93798531
  O     17.95320417      9.70553713    -12.20156473
  H     14.62868881      6.54320864    -12.27047879
  H     14.02477899      8.38577600    -14.77165080
  O     12.45131097      7.58692890    -15.36157257
  H     16.11887337      6.32614370    -12.69874637
  H     11.77366994     10.95962072    -13.24119074
  O     15.43510751      9.46974164     -8.70285624
  H     17.08079300     10.09871090    -12.35063928
  H     10.60148173     11.23659306    -12.27192106
  O     13.57507717      7.34477370    -11.00944083
  H     18.10187879      9.72105795    -11.24747825
  H     17.77470768      6.58098231    -10.66297395
  O     15.43188934     10.70118037    -12.73382025
  H     11.97699803      7.68400898    -14.52102057
  H     17.90427658      7.62526385     -9.54159398
  O     16.07830709      6.50412225    -17.20163567
  H     12.17283531      8.28175804    -15.96661697
  H     12.05976167      7.55311482    -12.19277148
  O     15.07840895      6.62390664     -8.74639681
  H     15.23276415      8.53421466     -8.57672123
  H     11.32628974      8.83420817    -12.63943255
  O     18.14108978      6.97862237    -15.23650333
  H     14.74851595      9.81396087     -9.28905170
  H     19.82574000      9.99664087    -14.85010247
  O     14.25391179      5.46353222    -15.50537171
  H     13.97729237      6.99413051    -10.20475721
  H     18.66226954      9.77283837    -13.85851798
  O     16.40997607     10.29222331    -15.95168632
  H     13.60391357      8.30783431    -10.92503158
  H     18.02236910      6.74189689    -13.45092613
  O     14.88232336      8.59186241    -14.37929457
  H     15.34927017     11.46929281    -13.30983328
  H     17.86813409      7.83620562    -12.37435034
  O     11.39720755     10.72124290    -12.37531964
  H     15.14825356      9.93635152    -13.26207368
  H     17.11356666      9.60370340     -9.14115600
  O     17.61479129      6.72245297     -9.72027169
  H     16.31537726      5.84338072    -17.84792705
  H     18.55280384      9.98448209     -8.72073569
  O     11.43492461      7.89730762    -12.84319195
  H     15.42593263      6.08793157    -16.60927910
  H     15.19390609      8.10156302    -17.71781056
  O     18.90224772      9.76252497    -14.80016888
  H     15.98664015      6.56499998     -9.09341798
  H     15.45977655      9.57607035    -17.41029984
  O     17.84892549      6.87930042    -12.50743510
  H     14.99550726      5.95141514     -8.07590160
  H     14.30981061     10.42233464    -11.37496251
  O     18.04914738      9.56195307     -9.41125094
  H     17.46375198      6.86543087    -15.91410058
  H     12.78690497     10.40408277    -11.15526828
  O     14.83945314      8.98868909    -17.86078132
  H     18.42629221      7.89801100    -15.27732469
  H     15.60311006     11.76903315    -15.37836154
  O     13.62398256     10.15427456    -10.74529292
  H     14.58852899      5.51116715    -14.59934053
  H     15.41789327     13.30156872    -15.25517149
  O     15.11170400     12.46685277    -14.91107542
  H     13.51136805      6.08386680    -15.53465394
  H     11.79264161      9.89349357    -17.93869333
  O     12.32386518      9.76480204    -17.15736326
  H     15.90084994      9.61771628    -15.47184443
  H     13.20490462      9.48301825    -17.46257023
          69
 Energy    -249.82579513258284     
  O     16.73486584      9.68896790    -15.20712933
  H     17.60004605      9.32562539    -14.98036809
  H     14.04538790     12.14148843    -10.83073157
  O     15.02762355      8.27468432     -9.01809344
  H     16.15345916      8.95407337    -15.45320334
  H     17.85028098      4.54015971    -13.99904593
  O     15.87873725     12.27200338    -15.20924411
  H     15.59766019      9.01724774     -9.28121835
  H     19.05263999      5.32011341    -14.56126792
  O     12.79515070      8.93052756    -10.74466710
  H     15.13651851      8.16232366     -8.07759498
  H     15.63968586      8.02254406    -11.94155082
  O     15.07839290      7.56589528    -15.71886079
  H     16.20894316     11.36253512    -15.31809567
  H     15.53435183      7.31813155    -10.57157897
  O     19.12974569      8.69022244    -14.23630563
  H     15.90853405     12.68202011    -16.06987222
  H     19.41793208      7.37070563    -15.43965313
  O     19.70920325     11.08598754    -12.90888402
  H     12.87229121      9.89440722    -10.80377075
  H     20.28033375      6.61301351    -16.47195658
  O     18.50483094      7.06135471    -12.09292053
  H     13.43552369      8.65594003    -10.08081694
  H     16.02797208     13.42109934     -9.76507877
  O     12.06400953      7.38847263    -12.85329002
  H     15.63263506      6.99097341    -16.26652863
  H     16.17841768     11.94985799    -10.21661513
  O     12.75998878      9.07457177    -15.06821326
  H     14.84588211      7.04825748    -14.93727606
  H     17.73791987      6.04503707    -16.64886963
  O     13.59731382     11.33377973    -13.77743107
  H     19.43544175      9.52829914    -13.86655355
  H     16.62072443      5.08817303    -16.18775215
  O     13.25576867     11.64798887    -11.07388304
  H     18.89426666      8.12445973    -13.48449596
  H     14.79573553     10.16968236    -12.82690242
  O     18.71662621      4.89415227    -13.76313874
  H     20.45858070     11.67503244    -12.94370344
  H     16.10207146      9.66994154    -13.46251014
  O     15.79100390      7.17609567    -11.48969545
  H     18.91486652     11.64898614    -12.89230036
  H     16.91211792     12.63006004    -13.65474853
  O     19.45910304      6.57048990    -15.98784266
  H     17.57558505      7.05536964    -11.82714053
  H     16.91227232     12.79189691    -12.11623107
  O     15.87068304     12.82890629    -10.49676388
  H     18.66216456      6.22704686    -12.55880365
  H     17.55566498      9.96436793    -10.17707901
  O     16.82921428      5.77652221    -16.83245228
  H     11.15325293      7.14351845    -12.71090068
  H     16.26287722     10.09631614    -11.02584077
  O     15.59300457      9.65820791    -12.64374695
  H     12.32249060      7.94151956    -12.09378893
  H     14.93175586      6.25688936    -12.74055804
  O     17.48395221     12.64040075    -12.87769307
  H     13.49125496      8.59315124    -15.47524316
  H     13.50847907      6.30352834    -13.32378246
  O     16.62486516     10.22941427    -10.13553505
  H     12.43264800      8.50690034    -14.35903971
  H     19.08084363      8.52133433    -11.03181048
  O     14.39199545      5.94837996    -13.48412434
  H     13.22745229     10.60846891    -14.30414380
  H     19.45739217      9.98466823    -11.34556082
  O     19.17262148      9.39797888    -10.63425515
  H     14.27051620     11.76971414    -14.31141953
  H     15.71692155      3.20888116    -14.62670929
  O     16.09473860      4.08517748    -14.62104821
  H     13.22184766     11.67934540    -12.04218950
  H     15.43304752      4.66914327    -14.21607938
          69
 Energy    -249.82567584219896     
  O     13.03516309      9.10118718    -15.88118144
  H     12.40806646      8.80204981    -15.19685742
  H     10.94331918      5.62067649    -11.72458473
  O     12.80276870      9.85000800    -11.93750870
  H     12.51342303      9.35335003    -16.63790162
  H     16.56943799      4.08856261    -12.25931768
  O     15.31505140      6.31084133    -10.17801397
  H     12.88940780     10.02619828    -10.99467825
  H     16.47372354      4.51995408    -13.73271362
  O     13.34938984      2.55531232     -9.20229145
  H     13.40453655      9.10960889    -12.11487803
  H     15.44250152      8.67680741    -12.35594387
  O     13.49825153      9.87824939     -9.21107319
  H     15.37592330      5.37623696    -10.41620822
  H     15.01980202      7.34035123    -11.67212802
  O     14.20898847     11.05853668    -14.03761725
  H     16.19017007      6.63046946     -9.92767955
  H     11.41794972      7.53274075    -13.34116709
  O     15.18168353      3.68563044    -11.01100191
  H     13.38162322      1.99976717     -8.42829631
  H     11.68153891      9.02607223    -13.17412624
  O     11.72933685      2.35527512    -11.58240028
  H     12.79986675      3.32590666     -8.97121359
  H     18.03312829      7.34297739    -10.70783280
  O     16.46051330     10.21370505    -12.69237593
  H     13.38375682     10.48200559     -8.48233955
  H     18.55775429      7.38124265     -9.25162999
  O     11.71549126      4.68583549     -8.75580120
  H     14.44812690      9.88079524     -9.42826140
  H     18.19711035      8.67754130    -15.43289429
  O      9.90560637      4.26895277    -10.94703199
  H     13.63586272     10.84801387    -13.28611096
  H     16.84048873      8.16452254    -14.89810876
  O     11.64853218      6.20501351    -12.03202866
  H     13.87492972     10.52203289    -14.76446397
  H     12.87890242      8.07540623     -9.39216381
  O     17.06666717      4.50741791    -12.97321104
  H     14.54009094      3.84803244    -11.72020577
  H     13.69280476      6.81147369     -9.72613430
  O     14.81647603      7.93969487    -12.39982676
  H     14.69831395      3.21040614    -10.32436711
  H     16.72429882      9.13068000     -9.77966970
  O     11.42767684      8.36396330    -13.83249206
  H     12.27555382      2.85212616    -12.20792732
  H     16.31996108     10.17643710    -10.83241597
  O     17.78429981      7.54006626     -9.78516860
  H     12.27595353      2.23859786    -10.79550543
  H     17.92930111      6.03190843    -12.56312382
  O     17.69881272      8.53201337    -14.63250294
  H     15.74581063     10.62879323    -13.20087152
  H     18.21417505      7.44567863    -13.12149401
  O     12.78765408      7.14183732     -9.61064257
  H     17.04538235      9.78938889    -13.33002563
  H     14.98436652      7.58105528    -14.09945041
  O     16.12810138      9.87297250     -9.93454890
  H     12.05397055      5.57818798     -8.90860406
  H     14.45738673      8.03180164    -15.48582008
  O     18.30480191      6.89658745    -12.33682472
  H     10.98024821      4.57680172     -9.37124685
  H     15.17919585      4.41628622    -15.98141666
  O     15.14071069      7.50193457    -15.05579839
  H      8.99947494      3.99098815    -11.04607581
  H     15.12541194      5.73832436    -15.17724617
  O     15.10302969      4.77017542    -15.09891323
  H     10.46439024      3.51218902    -11.20050637
  H     13.83229853      4.39053762    -13.79084016
  O     13.32056724      4.18992955    -12.99898148
  H     12.02934116      6.61324378    -11.24222425
  H     12.80161421      4.97059536    -12.75836005
          69
 Ord_Energy   -249.825134    
 O    3.72915530       3.17366457      0.469325334    
 H    4.66504240       3.35976577      0.492079675    
 H    3.30224490       3.92978477       3.09018008E-02
 O    1.95001554       7.64333296      0.762726843    
 H    1.75659108       7.28431273       1.64420462    
 H    2.50178838       8.41096401      0.891522944    
 O   -1.58094871       1.65751135      -2.93354797    
 H   -1.75891399       1.21107769      -2.09331679    
 H   -1.57850957      0.964636981      -3.60813570    
 O  -0.712632179       7.44653416     -0.333544910    
 H   0.188099816       7.66494322      -6.94776028E-02
 H   -1.07104504       6.93984699      0.407507271    
 O    2.46716428       1.08831084     -0.975090861    
 H    2.99936223       1.73234618     -0.493179411    
 H    2.06086874       1.54976749      -1.72501326    
 O  -0.962395728      -1.98010695      -1.91777408    
 H   -1.04766726      -2.91744852      -1.76403940    
 H   -7.90921040E-03  -1.78806329      -1.94697261    
 O   -1.15809739       5.78182125       1.90781963    
 H  -0.412357479       5.98539114       2.48519349    
 H   -1.70114875       5.10783529       2.33890867    
 O    2.27333117       5.20614243     -0.637706816    
 H    1.41584527       4.78595257     -0.456346780    
 H    2.25249076       6.07567024     -0.222314358    
 O   -1.14734590       6.40871048      -2.81619430    
 H   -1.00368929       6.81667089      -1.94382489    
 H   -1.52278852       7.08370209      -3.37575722    
 O   -2.58749485       3.58445263       2.85194230    
 H   -2.86451030       3.21094108       1.99534905    
 H   -3.32138586       3.46626163       3.44903779    
 O   -1.19749522     -0.597846448      -4.45996428    
 H   -1.20781469      -1.17103088      -3.68260002    
 H  -0.267402023     -0.496324569      -4.69827890    
 O   -2.28910446       4.04717922      -1.79909420    
 H   -2.02014780       4.84722281      -2.26609921    
 H   -2.10869622       3.28688526      -2.37262058    
 O    1.60971689       7.63110002E-04  -4.71607351    
 H    1.51582563      0.847237527      -4.24652052    
 H    2.18905520      0.160916373      -5.45630646    
 O    1.66231799      -1.32085121      -2.18485928    
 H    2.04777765     -0.613925159      -1.65077829    
 H    1.74954438      -1.02378559      -3.09955096    
 O  -0.139869094       4.04350996      -3.04905195E-02
 H  -0.452060610       4.60478735      0.691051424    
 H  -0.849136114       4.01901293     -0.686532855    
 O    4.11908003E-03   2.35567331       3.23594737    
 H  -0.883286417       2.73070979       3.21234560    
 H    8.20610672E-02   1.82699621       2.42888999    
 O   -3.28848219       2.59787631      0.430854708    
 H   -3.11897802       3.17949748     -0.321460754    
 H   -3.01162314       1.71605444      0.150768474    
 O    1.13776469       2.22509766      -3.16018772    
 H   0.194241092       2.04813838      -3.03940558    
 H    1.23603213       3.17875266      -3.28948450    
 O    1.31512868       6.43383265       3.17759299    
 H    1.68754375       5.53679562       3.07499766    
 H    1.41146684       6.66953707       4.09603930    
 O    2.21189165       3.95479727       2.85376668    
 H    1.47781146       3.35082293       3.04720592    
 H    2.71822977       3.57004809       2.13289762    
 O   -1.97680080      0.274549484     -0.542999208    
 H   -1.19695854      0.581125379      -5.36062196E-02
 H   -1.74232864     -0.576330066     -0.933579922    
 O    1.30223966       4.95891142      -3.27658892    
 H   0.481934547       5.46347189      -3.22060466    
 H    1.77720559       5.14234734      -2.45535970    
 O   0.232421979       1.38284886      0.642773926    
 H    1.03219044       1.13306463      0.164320424    
 H    8.70941132E-02   2.32125092      0.445946306    
          69
 Energy    -249.82355504759295     
  O     -5.17685402      3.93842505      1.55988774
  H     -6.12382863      4.01177479      1.64173474
  H     -0.69248185      1.49839962      4.92540663
  O     -2.65507399     -1.63777075     -1.87393792
  H     -4.81221161      3.98837601      2.46327018
  H     -2.50399742      5.93665721     -0.58718621
  O      0.10114481      4.81795849      0.25743212
  H     -3.24132268     -2.18004446     -2.39460577
  H     -2.06993535      6.61823413     -1.91049786
  O     -2.03437574      3.03695387     -1.81723792
  H     -2.48058095     -0.83225322     -2.39320339
  H      0.72166315     -0.46544663     -2.37105956
  O     -0.26294960     -1.53452284      4.05036093
  H      0.45875727      4.09331547     -0.27253597
  H      1.57662244      0.03396271     -3.56118068
  O      0.51508870      5.20526924      2.98588447
  H     -0.51930165      5.28708799     -0.31323993
  H     -1.98622808      2.34661949      3.42467508
  O     -1.41368762      2.83899059      1.76269777
  H     -1.13230350      2.80720953     -1.54910595
  H     -2.68214806      1.11464307      4.07051695
  O     -2.96184769     -0.59759518      3.57439647
  H     -2.08051471      4.00083652     -1.81794630
  H     -1.09452632      5.81014069      3.34499475
  O     -1.93139622      0.59900158     -3.24273336
  H      0.03967385     -2.40661163      4.29073700
  H     -1.90274921      6.97022539      3.96095341
  O     -2.77258154     -0.55977699      0.72678642
  H     -0.12790440     -1.44627422      3.09208957
  H     -3.18917655      2.41991374     -0.54936912
  O     -0.09064334     -1.01614201      1.35258566
  H      0.98309267      4.42270533      3.29808971
  H     -4.22401427      2.66959829      0.61424303
  O      0.20097914      1.13933384      5.01799253
  H      0.54974881      5.17590746      2.01918745
  H     -3.32860279      4.89663649      3.89960765
  O     -1.97085940      5.82222990     -1.39621116
  H     -2.17430120      2.57213854      1.23049110
  H     -3.52412847      3.40682151      4.23816142
  O      0.90998472      0.30568087     -2.93629201
  H     -1.04776796      3.63992938      1.37065418
  H      0.83668957      1.76021585     -1.79073818
  O     -2.35157623      2.00679111      4.25505648
  H     -2.13596139     -1.02523339      3.83150286
  H      0.85225694      2.03690427     -0.26467488
  O     -1.99094136      6.17524938      3.44079400
  H     -3.02330560     -0.69152511      2.61513931
  H     -4.00535039      5.34380953      1.08562317
  O     -3.59162550      2.03968364      0.24485142
  H     -2.11139982      1.47542137     -2.87972232
  H     -2.84656236      6.11265646      1.75937702
  O     -3.99905881      4.20574494      3.96793764
  H     -0.96986070      0.53342821     -3.30132909
  H      1.49561064      1.89759621      2.17942928
  O      0.63874115      2.42912075     -1.12385788
  H     -3.12346779      0.32982310      0.57721064
  H      0.06861578      1.89751928      1.61088461
  O     -3.30012049      5.98022740      0.91751883
  H     -2.83116711     -1.01894427     -0.12010031
  H      0.21142263     -1.62119402     -0.40394661
  O      0.95493271      1.52361285      1.47429679
  H      0.37388137     -0.16724966      1.39108756
  H     -0.77667235     -1.89407113     -1.55218283
  O      0.16041396     -1.76651353     -1.35766187
  H     -1.02025167     -0.82637449      1.15311690
  H      2.73800416      2.86666262      4.27148459
  O      1.92819867      2.79870554      3.77301521
  H      0.13036856      0.20741137      4.78124616
  H      1.33427978      2.21640330      4.28194285
          69
 Energy    -249.82188223191423     
  O     -1.44381202      1.03128675      3.94694918
  H     -1.75512771      0.51424031      4.68571785
  H     -2.34279714      5.66864570      0.18933834
  O     -3.72910188      1.57066464     -2.44896553
  H     -1.93040587      1.87578414      3.97230760
  H     -0.81715706      4.52504149     -1.17133890
  O     -2.47456041      3.75011734     -3.82435306
  H     -3.73236618      1.85996624     -1.52737211
  H     -2.02295670      4.39732010     -2.14589040
  O     -4.57362156      4.36182310      1.95311541
  H     -3.45966227      2.34143532     -2.96444444
  H      1.76355937      3.75583103      3.98683795
  O     -0.21040767     -0.18084623     -0.99895324
  H     -2.69268991      4.23246792     -4.61705128
  H      2.48834882      5.03338772      4.46710487
  O      1.35086769      1.81790987     -2.35822177
  H     -1.76946569      3.12078156     -4.06186485
  H      1.05020700      2.14003540      1.53409861
  O      1.30308527      2.06293573      4.28989825
  H     -5.41678721      4.79919949      2.02903192
  H     -0.44463467      1.95007006      1.17477725
  O     -1.99875845     -0.39633211     -3.13714708
  H     -3.93254354      5.03284019      1.65197645
  H     -2.73170528      3.28739082     -0.30937558
  O      2.49149096      1.04442054      1.98301651
  H     -0.76919091      0.03777513     -0.23917574
  H     -3.86206000      3.13442557      0.74058192
  O      2.15308846     -1.02627868      0.09823723
  H     -0.79942313     -0.36109007     -1.74266234
  H     -1.94466634      4.00955701      3.57819665
  O      3.05177861      4.65598411      1.01440513
  H      2.26039540      1.54153157     -2.17696032
  H     -3.42653275      3.68436134      3.32787153
  O     -2.59430682      5.97877094      1.06963528
  H      0.78458186      1.22279202     -1.84970610
  H     -1.69592721      0.66334594      2.12669290
  O     -1.78159729      4.56702413     -1.22698984
  H      1.80642184      1.57870315      3.61967534
  H     -2.38017476      1.29283694      0.85901134
  O      2.00361064      4.66461534      3.73331647
  H      0.39762738      1.74165388      4.21508269
  H     -0.35941117      4.05904050      2.14605655
  O      0.25674050      2.60778469      1.24405267
  H     -2.45714326     -1.10872180     -3.57433680
  H      0.24462989      5.04909551      3.13961389
  O     -3.30814373      2.64040098      0.12437383
  H     -2.67518738      0.25426853     -2.87418721
  H      0.69108738      3.62615997     -0.10058806
  O     -2.66485625      3.42801443      3.86006345
  H      2.37388532      0.26223088      1.42995178
  H      1.18898059      3.48321832     -1.53908230
  O     -1.71578941      0.65391586      1.16089745
  H      3.27734489      1.50127526      1.65430504
  H      0.17944132      1.90634196     -3.77503214
  O     -0.57008789      4.84959330      2.66560793
  H      2.20516182     -1.97826337      0.12454227
  H     -1.03032006      1.00818983     -4.08514606
  O      0.95429847      4.14744493     -0.87702458
  H      1.30597502     -0.80359368     -0.32384246
  H      5.50634350      2.67089713      1.01297875
  O     -0.61626204      1.84628085     -4.32248619
  H      2.63787316      4.74033770      1.88158272
  H      4.10326021      3.29956237      0.83578169
  O      4.60108767      2.46281238      0.79902813
  H      2.35324960      4.68403488      0.34835888
  H      4.12472112      1.43434717     -0.73552548
  O      3.75179324      0.85811270     -1.41454503
  H     -1.84800819      5.75967588      1.64472929
  H      3.34993718      0.12085670     -0.93896827
          69
 Energy    -249.82162789225765     
  O     19.27356765     10.04605709    -14.00492353
  H     20.01567898      9.48092732    -13.75504556
  H     22.18685869      8.59321258    -12.83818982
  O     20.30716973      7.40877588    -10.59680819
  H     18.97987528      9.76448668    -14.88006747
  H     19.02262582      3.25285850    -13.07120657
  O     15.52569326      8.44940522    -10.58752772
  H     19.47582928      7.61945628    -10.15881820
  H     20.12513854      4.30288738    -13.35245912
  O     13.17558416     10.06338624    -13.78538046
  H     20.43963619      6.45864256    -10.48353308
  H     15.08180830      8.13878950    -14.87538877
  O     17.87426516      9.18225862    -16.39619678
  H     14.71421278      8.96971015    -10.62814770
  H     16.08317089      9.02396320    -14.08382112
  O     11.53713719      7.78910315    -14.40011673
  H     16.08892036      8.74929586    -11.32060185
  H     18.71203184      6.18124292    -13.12088048
  O     17.75474557      5.09543685    -10.14458380
  H     14.00718155      9.87198061    -14.23629017
  H     17.79337991      5.83579071    -11.90463466
  O     14.32158528      6.17280211    -11.85646682
  H     12.54930728      9.39955253    -14.10097298
  H     14.19934301      6.43971962    -13.62266155
  O     20.47858503      4.54792385    -10.34848618
  H     17.76365796      9.72966616    -17.17003037
  H     13.19856069      6.91373773    -14.70056969
  O     15.68491234      3.82440680    -11.47174133
  H     17.00729984      9.14304976    -15.95890199
  H     16.92911704      8.01049762     -9.58408444
  O     17.24323965      2.85812045    -13.72405804
  H     10.65104991      7.64087704    -14.71801909
  H     17.73968069      8.08230504     -8.27257272
  O     21.28790464      8.30389939    -12.97254775
  H     11.52611155      7.61445558    -13.44123218
  H     20.71814115      6.74845700    -13.83526220
  O     19.88873847      3.55848665    -12.77884707
  H     18.67338430      4.80063684    -10.09682087
  H     19.80718645      6.13155240    -14.95381586
  O     15.56382673      8.97683555    -14.90113689
  H     17.70445290      5.93657316     -9.67271668
  H     12.79223021     10.68260918    -10.69515460
  O     17.83203563      6.31264788    -12.74123131
  H     14.73720805      5.31297214    -11.69606401
  H     13.18600233     10.01542531    -12.03282732
  O     14.10439433      6.60972329    -14.57382219
  H     14.80943688      6.84643081    -11.36868053
  H     15.59690986      5.59183243    -14.96447490
  O     17.74405502      7.70725012     -9.14995426
  H     20.32009524      4.13382545    -11.21708930
  H     16.89470131      5.64665832    -14.12399532
  O     20.24826083      5.95205279    -14.10849792
  H     21.10749528      3.99698651     -9.89118506
  H     18.42327391      7.37419239    -16.39513809
  O     13.15227054      9.88235122    -11.06828216
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  H     17.90751872      9.47655294    -13.01700971
          69
 Energy    -249.82161857593269     
  O    -10.17452327      1.17041170      4.99670298
  H     -9.22526179      1.25060803      4.81010736
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  H     -7.81145164      0.68317128      8.31851647
  H     -6.54650926      3.16622120      1.99339672
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  H     -5.82417388      1.79559759      1.92501280
  O     -4.45459346      3.32559783      4.23464566
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  H     -8.99432702      0.18858552      1.45640701
  O     -8.87022387      4.77153855      3.53583745
  H     -7.25031488      1.69050535      3.60594907
  H     -8.28014759      1.52817702      1.26821476
  O     -4.25557568      1.01034030      2.49055353
  H     -7.05485221      2.11964474      5.09405458
  H     -7.59255474      4.17106263      6.44106986
  O    -10.64984360      2.72525731      2.81424565
  H     -8.82612428     -1.15818578      7.50109410
  H     -8.61375256      4.58019905      5.34849860
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  H     -8.88649364     -2.69859950      7.62688438
  H     -9.55239344     -1.83754707      5.30138357
  O    -10.81415001      6.60206008      4.10181018
  H    -11.05028222      3.04670069      7.26455297
  H    -10.15544709     -0.61786674      4.59989921
  O     -6.69061498      2.21950701      1.87100655
  H     -9.53760825      3.22677946      7.06702742
  H     -5.87022827     -1.23063325      4.04128815
  O     -9.14624490      1.10339366      1.19285817
  H    -12.47908751      4.24040202      5.70592531
  H     -6.61641688     -1.29764183      2.69494744
  O     -8.47236358      4.54909801      6.30498978
  H    -11.79471422      5.05562791      6.81518588
  H     -5.17871910      0.47197022      8.48049354
  O     -9.86858507     -1.52899949      4.44461718
  H     -4.97644324      3.92664278      3.68736857
  H     -5.96126583      0.18499836      7.17761931
  O     -5.74259725     -1.16914941      3.08599413
  H     -4.30608458      2.53444743      3.70279567
  H     -6.15350770      5.69740273      2.17217933
  O     -5.85592188      0.82030939      7.90592711
  H     -9.40376793      4.02687811      3.22875444
  H     -7.20961824      4.90942252      2.97933017
  O     -6.29679008      4.88060584      2.64353981
  H     -9.47391314      5.52209359      3.64532453
  H     -5.41657341      3.22860771      5.72104448
  O     -6.13776215      3.14183896      6.36369882
  H     -4.73336836      0.18973171      2.70897623
  H     -5.92696199      2.42393607      6.97280781
          69
 Energy    -249.82124936433092     
  O     -6.49216478      3.48066299     -0.81930771
  H     -6.35619789      3.18280604      0.09208192
  H     -8.19092487     -0.43157471      2.85367392
  O     -3.97545574      3.70008650     -2.41657970
  H     -5.62348555      3.66745608     -1.19021466
  H     -4.37545614     -1.28223722      2.64975513
  O     -6.04409306      2.14949774      1.59942723
  H     -3.91177968      4.46358293     -2.98558516
  H     -5.63114920     -0.59579129      3.21367671
  O     -3.78300541     -1.74928676      0.97266865
  H     -3.06281955      3.44884316     -2.19439629
  H     -0.87841780      0.10096149      1.84676164
  O     -1.24106043     -0.01670021     -1.94273567
  H     -6.62258917      1.49643586      2.00926489
  H     -1.37765915      0.84663250      3.12969586
  O     -4.90805513      1.07819580     -2.65541704
  H     -5.39990470      1.63448303      1.08887271
  H     -1.62700099      2.12635590      1.44175899
  O     -5.28842169     -2.75241552     -1.17614847
  H     -3.90678045     -0.82919280      0.68472106
  H     -2.81383615      3.09648976      1.65306044
  O     -3.60291638     -1.34442800     -2.75382648
  H     -4.27887276     -2.28409140      0.34268289
  H      0.79142219     -1.26030104      0.38688509
  O     -1.50257911      2.82100929     -1.62240548
  H     -0.33261340     -0.12076281     -2.25432135
  H      1.84776007     -0.16359950      0.61220591
  O     -1.10376084     -1.16872246      0.59972495
  H     -1.40859362      0.93244780     -1.88520927
  H      2.27807235      2.02966421      1.99228506
  O      1.52076407     -0.20962692     -2.45082385
  H     -5.86510569      1.09319991     -2.52512302
  H      0.87335532      1.40941248      1.83109248
  O     -7.34750177     -0.17908777      2.48847303
  H     -4.61526159      1.99517499     -2.73444099
  H     -8.40378919      1.45820518     -2.39778204
  O     -4.71195429     -0.80184268      3.41889308
  H     -4.66893822     -2.29908803     -1.77671686
  H     -7.30435405      2.09553320     -1.51326319
  O     -0.72871949      0.87236437      2.41500726
  H     -5.45844561     -3.61054869     -1.55479076
  H     -2.74562200      0.80502549      5.25255031
  O     -2.23980296      2.71020581      0.97601373
  H     -4.10580917     -0.52978420     -2.89879951
  H     -3.50666737      0.28128736      4.01392576
  O      1.68858656     -0.99353546      0.14472847
  H     -2.71762361     -1.04013964     -2.51935651
  H     -7.39539175     -0.23078872     -0.75040860
  O      1.70172133      1.60408098      1.36202677
  H     -1.74496770      2.89518251     -0.68542306
  H     -6.62688695     -1.55760708     -0.50951766
  O     -7.60200733      1.26190963     -1.92054215
  H     -0.53496632      2.82741093     -1.64806094
  H     -3.42836973      1.47846880      0.31196424
  O     -2.81248552      0.89952784      4.30574459
  H     -1.17875715     -0.76176328     -0.27605791
  H     -4.31595385      0.90505215     -0.85323797
  O     -7.25167219     -0.93968078     -0.11197368
  H     -1.96708473     -1.55743820      0.79066479
  H     -3.58771971      2.53471518      3.58407730
  O     -4.11638169      0.83760394      0.08801056
  H      1.67086377     -0.57011073     -1.55824790
  H     -4.75185093      2.98114471      2.67500679
  O     -3.91186577      3.27404679      3.05485231
  H      2.10977162     -0.67196406     -3.04019361
  H      1.40461885      2.25738801     -0.44790958
  O      1.20901472      2.43865117     -1.37543480
  H     -7.33165228     -0.50399821      1.56962073
  H      1.43181014      1.62748093     -1.84857755
          69
 Energy    -249.82093179710239     
  O     17.36943827      9.54038010    -17.69566049
  H     16.55259654     10.06178678    -17.65179959
  H     18.65900952      6.18636504    -12.39578817
  O     15.88900819      5.75068388    -13.63772472
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  H     22.18377154     10.35614645    -16.68784360
  O     17.38626536     13.98459372    -12.36174091
  H     15.45016902      6.60661692    -13.67428848
  H     20.65556489     10.60233744    -16.60534519
  O     20.21801210      8.83001386    -14.13364272
  H     16.54555517      5.82578138    -12.93281951
  H     18.53603818      8.49661852    -14.85114437
  O     15.55307248      7.26069486    -17.87090455
  H     17.65323850     13.55959025    -13.18788611
  H     17.54965855      7.46240628    -15.49021545
  O     16.12434014     11.18195956    -10.28709289
  H     16.44992867     13.77648857    -12.25482906
  H     15.03354446     11.21437288    -16.25544205
  O     15.21307830      8.63760301    -14.02568951
  H     19.93759626      9.49757400    -13.49222611
  H     14.37051194     10.02365142    -16.94923850
  O     17.96206915     12.16771133    -14.46932527
  H     20.70617548      9.26315191    -14.84451622
  H     16.14925733      8.77482350    -12.41580136
  O     19.89405084      6.15508960    -13.60774848
  H     16.05747890      6.61736919    -17.35095572
  H     17.20742355      7.96011282    -11.62800914
  O     19.84440014      5.44918523    -16.38852839
  H     16.16597647      7.97796011    -18.06608503
  H     12.75685968      8.00379987    -16.52740701
  O     17.08187772      5.77854284    -16.11368525
  H     16.30079427     10.30144448    -10.64340372
  H     14.25562930      7.87209075    -16.89219633
  O     17.94079599      6.25608844    -11.74122446
  H     16.98628317     11.59978210    -10.16682327
  H     18.25260967     13.14761613    -11.08848562
  O     21.36103137      9.95246805    -16.42709511
  H     14.56133624      8.51016022    -14.72902481
  H     19.18835360     13.05587603     -9.85738324
  O     17.64371549      8.37997930    -15.19770428
  H     16.09098952      8.58931638    -14.44373037
  H     19.00166924     11.18167221    -11.68518470
  O     14.97006862     10.76250594    -17.10674757
  H     18.34382298     11.58611024    -13.79796145
  H     18.20874568      9.93835848    -12.16657930
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  H     17.02431170     11.93597307    -14.52615809
  H     15.18367096     12.22702188    -11.32895751
  O     13.62675569      8.31642441    -16.29456938
  H     19.93401512      5.77876243    -14.49359866
  H     13.99811522     13.19746992    -11.55473471
  O     18.65560528     12.53230096    -10.44913361
  H     20.15013694      7.08346051    -13.71562026
  H     20.44923382      8.53307960    -17.31708090
  O     18.94115638     10.52911080    -12.39343616
  H     20.36874426      4.83213682    -16.89232560
  H     19.05001996      8.36831153    -17.93036283
  O     14.77229465     12.83072827    -11.97320925
  H     19.86964198      6.29451742    -16.87113448
  H     14.98651434     11.96721032    -13.59131974
  O     19.83654020      7.87642531    -17.67272744
  H     16.69943663      5.56351386    -15.24993105
  H     15.17228704     10.53630337    -14.16701364
  O     15.26315739     11.47440311    -14.37475790
  H     17.98489418      5.44445871    -16.16463753
  H     18.58993366     10.98693782    -17.31011396
  O     19.24683322     11.53654495    -16.86661136
  H     18.18596007      5.70192305    -11.00477954
  H     18.82011821     11.87049558    -16.06509607
          69
 Energy    -249.82072859591557     
  O     12.14455441     11.55483483    -15.00611298
  H     12.66177976     12.18521550    -14.49059305
  H     16.21377871      6.98814793    -16.86934131
  O     15.04492869      6.82989280    -14.02888599
  H     11.59787695     11.06186153    -14.38316978
  H     18.40656554      7.58392794    -14.86420523
  O     16.43171178      9.36281971    -10.90135620
  H     14.20011847      6.75683456    -13.56784572
  H     18.79873050      8.35542724    -13.57622466
  O     17.67294573     11.05599201    -14.60043202
  H     15.73153293      6.70602734    -13.36123046
  H     15.78871226     12.80924661    -16.30353531
  O     12.82942179      7.56637671    -17.15397880
  H     15.84936310      9.04977136    -10.19920166
  H     16.63517868     12.52369248    -15.05112615
  O     14.23172531      8.44636517     -9.33212310
  H     15.88314054      9.95833446    -11.43454673
  H     14.83268264      9.71623450    -15.45230467
  O     12.76118469      6.70020617    -12.46833652
  H     16.90986071     10.45778817    -14.65710384
  H     15.30986491      8.55503481    -14.52138363
  O     14.65982468     10.82415026    -12.43297045
  H     18.15158311     10.81065682    -13.80175511
  H     10.80318252      9.08116171    -13.85085560
  O     17.89104723     10.35369809    -17.28870947
  H     13.72930544      7.20133353    -17.07085637
  H      9.63989758      9.91588174    -13.26387265
  O     14.57112724      5.83570337    -10.56691787
  H     12.41710097      7.11344562    -17.88495893
  H     11.84642444      7.58569011    -15.50050960
  O     17.98391747      7.68896435    -16.75496136
  H     13.87792496      8.61635920     -8.46224049
  H     11.76963128      7.13119544    -14.01483025
  O     15.32528511      6.63470592    -16.74758509
  H     13.56509813      8.75602793     -9.96737357
  H     18.03116149      9.74225004    -11.71181035
  O     18.63579085      7.47566216    -13.93350739
  H     13.28372515      6.20796980    -11.81806999
  H     19.54621396     10.02972508    -11.71999548
  O     15.93350116     13.09454442    -15.39382349
  H     12.67374162      7.59313632    -12.10845959
  H     16.74971880      7.60984422    -11.58732496
  O     15.39068310      9.50177686    -14.69444668
  H     14.43563764     11.72814155    -12.68190853
  H     17.60150771      6.83166913    -12.61650066
  O     10.59102268      9.85889169    -13.30153721
  H     14.86642000     10.35333875    -13.25574406
  H     15.20943542     12.19940468    -18.76454752
  O     11.33297412      7.66887192    -14.68936038
  H     17.14007662     10.84325311    -17.64370664
  H     14.83493152     11.24429429    -17.60765920
  O     18.78950250      9.91817889    -12.29083647
  H     18.00891629     10.68335078    -16.38655633
  H     11.80254610      9.55320056    -11.91107238
  O     16.89398069      6.73091248    -11.96083573
  H     15.43529837      5.92560226    -10.99039184
  H     13.30286321      9.88017103    -11.75929476
  O     15.52795332     11.84083505    -17.94025745
  H     14.48161831      6.61273727    -10.00231402
  H     13.82898722     14.17182466    -13.30990781
  O     12.59071505      9.32864915    -11.40094745
  H     18.66403167      7.29711974    -17.29838443
  H     14.65795209     13.26573884    -14.25207143
  O     13.94818156     13.26669527    -13.58316678
  H     17.94270602      8.62890815    -17.00149942
  H     13.30377136      9.34026567    -17.00116096
  O     13.67647150     10.20621020    -16.79726450
  H     15.23426125      6.51322973    -15.79034498
  H     13.06102809     10.68210523    -16.21638528
          69
 Energy    -249.82058783169771     
  O     10.41773024      8.78407644    -13.05970159
  H     10.05291359      9.66585831    -13.05666632
  H     17.69235219      8.56880976    -13.99916203
  O     16.64527058      5.82870510    -13.09872599
  H     11.17949847      8.81600978    -13.66089084
  H     15.95350506     12.03890695    -13.26611827
  O     18.42277686      9.75965981    -10.99223898
  H     17.59882462      5.70280194    -13.15731413
  H     16.23729573     12.95154810    -14.47969282
  O     14.90229910     10.00898467    -15.59309411
  H     16.52551758      6.77167803    -12.89328264
  H     17.09746027      8.91837620    -11.97295070
  O     12.81021766      5.96319530    -15.07301499
  H     17.90725200     10.31081202    -10.39149808
  H     15.63681422      8.89773651    -12.52015911
  O     15.52238052      8.65662303     -8.74437889
  H     18.67160349     10.29328365    -11.76208731
  H     10.62437637      7.54946555    -11.82127476
  O     14.97437854      5.45078808    -10.93836789
  H     15.40655563     10.68900118    -15.13055812
  H      9.97641914      6.64021465    -10.74979734
  O     15.25121098     11.86566219    -11.69209620
  H     15.54167395      9.46065549    -16.06253708
  H     18.91862745      8.04152374    -10.65216580
  O     15.56506697      6.05275053    -15.68184482
  H     12.75955420      5.61256293    -14.16607426
  H     19.22915799      6.76168504    -11.45688904
  O     16.94439646      6.18757269     -9.05030654
  H     12.15345457      5.49659947    -15.58358498
  H     11.95537757      5.62298623    -12.02905578
  O     16.71708493      8.18212962    -16.86033388
  H     14.67241023      8.40028565     -9.12443340
  H     13.39424345      5.06488969    -11.93667949
  O     18.40387928      8.46438735    -14.65157165
  H     16.06371557      7.85847215     -8.76837357
  H     18.93699208     10.18661523    -13.96750669
  O     16.33481986     12.05692383    -14.16244667
  H     15.52569179      5.46442758    -11.73470667
  H     18.05306822     11.41055591    -13.69762196
  O     16.51386604      8.51185830    -12.62661489
  H     15.59105259      5.58301184    -10.20678923
  H     20.23132761      5.92404953    -13.71762349
  O     10.81031791      6.86806636    -11.15232324
  H     15.71306260     11.71183707    -10.86028753
  H     19.18130757      7.05045906    -13.84222795
  O     18.99184196      7.07848407    -10.57877241
  H     14.67773378     11.09541896    -11.82030399
  H     16.71668835     11.56190266     -8.49138331
  O     12.61926640      5.11361015    -12.50999940
  H     15.95699759      5.87708656    -14.81609522
  H     16.19105595     10.22396775     -9.06336827
  O     18.87228587     10.97969803    -13.42046113
  H     14.61175977      5.97754519    -15.55652475
  H     12.79909940      7.80053853    -14.79294768
  O     19.43989519      6.27409352    -13.31708747
  H     17.31669257      5.71011573     -8.31348162
  H     13.44310290      9.21200907    -15.00209074
  O     16.60617221     11.07284189     -9.30217508
  H     17.69376858      6.47111462     -9.60461948
  H     12.43358419      7.38367963    -10.37493916
  O     12.72724441      8.73338009    -14.55519338
  H     16.29308766      7.38650263    -16.48775974
  H     13.89421775      6.86425331    -10.47793521
  O     13.35234044      7.61701720    -10.19804482
  H     16.79202843      8.04194436    -17.79994276
  H     13.69301268      8.86759966    -11.46024071
  O     13.95153737      9.47881861    -12.16206078
  H     17.96544656      8.39693954    -15.50843023
  H     13.48806588      9.21905092    -12.96805344
          69
 Energy    -249.81956044246593     
  O     12.46795174     13.67978039    -12.69458889
  H     11.74567576     14.29670003    -12.77342754
  H     18.90246499     12.43264431    -14.69989896
  O     19.48383705      7.72250812    -11.42265886
  H     12.07858473     12.78598582    -12.70609365
  H     14.37271925     10.30482858    -16.47358450
  O     17.11170747     10.79484648    -10.90319830
  H     19.42642847      7.17094064    -12.21168912
  H     13.38011885      9.36342921    -15.72104513
  O     12.18218052      8.89729970    -14.27332488
  H     19.63254707      8.62082522    -11.74536533
  H     15.37099578      9.93079088    -13.40230842
  O     16.25728681      6.65702030    -12.79493097
  H     17.04307677     11.65439661    -10.47272111
  H     14.99909398     11.44454764    -13.25566954
  O     13.47061407      7.28875521    -12.43644805
  H     16.43047946     10.77714302    -11.59368405
  H     15.14163136     12.60022284    -17.22088881
  O     14.79984167     13.06238128    -14.09760541
  H     11.44381183      8.37532293    -14.58135935
  H     15.09001691     12.41031415    -15.68716667
  O     18.67352365      8.97284872    -14.87066009
  H     12.65189709      8.34102169    -13.62824155
  H     15.23179496      7.87958338     -9.86763376
  O     16.93547814      8.07949492    -10.41040477
  H     16.09696591      7.35546911    -13.45306560
  H     14.13886445      7.32112528     -8.93185547
  O     18.10450901     11.53271086    -15.95590069
  H     16.45820058      7.10862252    -11.96426297
  H     17.83344464     13.63501052    -13.11391727
  O     18.79532789      6.30846181    -13.85148586
  H     13.54836069      7.48716396    -11.49655244
  H     16.96751925     13.85706305    -11.84570517
  O     19.34745850     12.83675245    -13.93256178
  H     14.30718672      6.86482772    -12.66066601
  H     15.66602809     13.35426637    -10.08097946
  O     14.08582814      9.38691022    -16.38069303
  H     15.56337822     13.47416026    -13.66128510
  H     16.83846083     13.93752083     -9.25488887
  O     15.13295416     10.62130689    -12.77001326
  H     13.99376633     13.37862334    -13.67214370
  H     13.46923841     13.44829320    -11.04524010
  O     15.30103796     11.96532529    -16.52620451
  H     18.91212890      9.44638180    -14.05870312
  H     13.74562875     12.17002390    -10.23611280
  O     14.27397427      7.86297981     -9.70528722
  H     18.84344733      8.03961800    -14.69558054
  H     19.48782512     11.23305217    -12.94633108
  O     16.99086343     13.98630666    -12.80136184
  H     17.84806555      7.81558229    -10.59683483
  H     18.57344008     10.52205968    -11.93207143
  O     16.63771562     13.41166986    -10.02391802
  H     16.94124037      9.04617996    -10.46984624
  H     12.03155778     10.82305095    -11.79823737
  O     13.97032453     13.10929666    -10.29517142
  H     17.17215558     11.59047262    -16.19330808
  H     11.74022857     10.43539782    -13.25458652
  O     19.31212864     10.37509405    -12.54079700
  H     18.30614819     10.60097721    -15.80067338
  H     13.63016772      9.57405532    -10.15893329
  O     11.58620340     11.12812759    -12.60110527
  H     17.88906502      6.29042026    -13.50051306
  H     13.98371297     10.41701073    -11.40777588
  O     13.41238557     10.38917690    -10.62238338
  H     18.98658705      5.42688420    -14.16126692
  H     15.37266244      8.82534803    -15.31080502
  O     15.94990597      8.68284489    -14.54792581
  H     20.07107046     13.35390656    -14.27687422
  H     16.86873541      8.84640326    -14.79518511
          69
 Energy    -249.81954673660550     
  O     11.37910175      6.20694428    -15.29924403
  H     12.26232096      5.88900444    -15.51946203
  H     15.03299894     10.48948907    -10.71901842
  O     17.72483045     10.11372788    -12.32849886
  H     11.37483283      7.16371555    -15.45305163
  H     15.60000347      6.03401791    -10.73724766
  O     17.37968617      6.23979485    -11.08813531
  H     18.18151598     10.92309339    -12.54372744
  H     14.21018713      6.47027740    -10.11114892
  O     13.15267724     11.49594374    -13.49691416
  H     16.79665169     10.35017240    -12.16161037
  H     14.35871600      7.36827570    -11.92423779
  O     16.29336532      3.63049247    -15.78809103
  H     17.63467541      5.32206892    -11.24705541
  H     13.09197500      8.18520500    -12.23028997
  O     14.00951049     10.17659718    -15.87438103
  H     17.39871573      6.68188562    -11.94954276
  H     11.07637332      9.40849003    -14.71695296
  O     13.37661518      4.49614487    -12.72958730
  H     13.49346434     11.15093943    -14.33248552
  H     12.23988177      9.40231371    -15.72253357
  O     13.23705720      7.70279040     -9.24121121
  H     13.83915018     11.33354252    -12.83766454
  H     18.35688423      2.87743203    -11.54750472
  O     18.23019995      4.98182268    -14.43870138
  H     16.66743220      3.14966957    -16.52120256
  H     17.05758436      3.29363006    -12.27689339
  O     17.46565895      8.72444331     -9.79877102
  H     17.01923974      4.13881723    -15.38381513
  H     14.75194052      6.95935349    -15.22040165
  O     15.13866296      9.86302161     -8.95977269
  H     14.36821970     10.43645179    -16.71913262
  H     14.63633061      7.97104504    -14.06156049
  O     15.07920961     10.52097121    -11.68298071
  H     14.45203236      9.34793105    -15.62438914
  H     17.68295515      8.45849797    -13.22944152
  O     14.64096624      5.95381067    -10.80904152
  H     13.83166429      4.95561253    -12.00639252
  H     16.68316593      7.66383113    -14.10673782
  O     14.02983608      8.10923053    -12.44969349
  H     12.45344597      4.76695086    -12.67818912
  H     14.76669379      3.23882880    -12.93621092
  O     11.41284558      8.95984373    -15.50135648
  H     12.54392872      7.93399110     -9.87334743
  H     15.77426506      2.93030829    -14.06243624
  O     17.90251131      3.62619758    -11.92381048
  H     13.78093547      8.48998293     -9.11768193
  H     11.57639625     10.81859068    -13.17106121
  O     15.05180993      7.83092310    -14.92873538
  H     18.28206147      4.51585092    -13.59473558
  H     10.04803025     11.00161569    -13.01617959
  O     17.47949440      7.57667535    -13.56429864
  H     18.10059025      5.91353363    -14.22065072
  H     14.78329638      4.69820064    -15.62541430
  O     15.60825415      2.80179542    -13.12039195
  H     17.73392939      9.23153065    -10.57394952
  H     13.85699421      5.02515151    -14.42699334
  O     10.73432024     10.34102669    -13.06149278
  H     17.50750323      7.79874199    -10.07390457
  H      9.95366743      5.18771629    -12.68811130
  O     14.07945364      5.28940272    -15.33250754
  H     15.97827065      9.41419852     -9.16742801
  H     10.91809553      5.87295687    -13.68835387
  O     10.76449686      5.68649471    -12.74289715
  H     15.25770125     10.28947814     -8.11509830
  H     11.12687067      7.30405712    -11.88363957
  O     11.45184101      8.12681698    -11.49237838
  H     14.72280290      9.67074914    -11.98729358
  H     11.06681940      8.86664793    -11.98037146
          69
 Energy    -249.81945146909470     
  O     13.44495727      3.50098546    -11.98211943
  H     12.67044552      2.93396617    -11.89356061
  H     10.24793356      3.61545938    -11.78833163
  O     13.64800939      3.92486722     -9.27338272
  H     13.12688534      4.33634745    -12.35145690
  H      8.77077123      7.28185404     -9.65281265
  O      8.54510375      6.41999368    -13.52445246
  H     13.75376928      3.75612436    -10.22055526
  H      8.11872207      8.41767890    -10.48200272
  O     15.29139448      8.05253832     -9.11283996
  H     13.03380666      4.67252179     -9.19420848
  H     12.25472788      6.69760825     -9.62438475
  O     12.74357020      6.43247576     -6.41925841
  H      8.88393738      5.65844166    -13.03686036
  H     10.96925213      5.92282295     -9.18725115
  O     11.02502656      2.03790188    -11.16742731
  H      9.30434725      6.78249990    -13.99837966
  H      9.56518737      6.10502728     -4.81785840
  O     11.71341211      2.21129135     -8.42949077
  H     15.32101203      7.19958914     -8.64317746
  H      9.84580891      6.88055054     -6.12221820
  O     12.25226793      5.98423214    -12.69051258
  H     16.19525190      8.29767165     -9.29243726
  H     14.23530905      8.83736695     -7.71202223
  O     11.00498789      9.60680828    -10.14383470
  H     12.45835580      6.33033281     -7.34206827
  H     13.30978828      8.17834302     -6.67135997
  O      7.51171975      8.58523998    -12.24609705
  H     11.94436292      6.27477044     -5.90570556
  H     14.83210560      4.97748002     -8.25073951
  O     10.10525760      9.66052734    -12.82917456
  H     10.74676373      1.15058293    -11.38347200
  H     14.46721555      5.88553477     -7.06401098
  O      9.97413953      4.51380245    -12.00681803
  H     11.18852802      2.05177210    -10.21225041
  H      9.16628014      4.94479914     -8.89015183
  O      8.62536868      8.24145588     -9.68098995
  H     12.47494066      2.77827148     -8.64319713
  H      9.37695485      5.16077063    -10.43860222
  O     11.91120889      6.03281262     -9.01368620
  H     12.03504607      1.53267590     -7.84070850
  H     12.39636508      8.54616000    -10.57920113
  O     10.06143279      6.06655706     -5.63149957
  H     11.88398729      6.50737664    -13.41371052
  H     13.84173520      8.00033816    -10.27918916
  O     13.59308711      9.03471096     -7.02109570
  H     12.59445900      6.62187628    -12.04802123
  H      9.78535465      4.55610970     -6.80477421
  O     15.15656744      5.71766730     -7.72062686
  H     11.18291832     10.05468753     -9.30812757
  H     10.29622859      3.36764344     -7.67417532
  O      9.20630865      5.60492286     -9.59753960
  H     10.19130500      9.09989770    -10.00030840
  H     12.22234857     10.02369427     -7.30611538
  O     13.02770461      7.83736653    -10.77244373
  H      6.64120971      8.78477272    -12.57941628
  H     11.44735654     11.34209655     -7.06319411
  O      9.53008467      3.92108020     -7.48690776
  H      7.80189007      7.76789531    -12.68981767
  H     10.70527285      8.43526186    -13.92330702
  O     11.39828439     10.50206621     -7.51073268
  H      9.17854094      9.44761303    -12.66002562
  H     11.14756252      8.04149078    -15.35291758
  O     10.92899493      7.68081610    -14.49796822
  H     10.50436814      9.80071515    -11.96136005
  H     10.14420498      9.10313847     -7.06559245
  O      9.52869343      8.36354371     -7.00489740
  H     10.77949842      5.01530843    -12.20508682
  H      9.06407103      8.34965287     -7.85153188
          69
 Energy    -249.81910237364713     
  O     12.15138572     11.97442025    -15.41702722
  H     12.73931461     12.06459759    -14.65732148
  H     18.44745968      9.03830568    -12.17098236
  O     15.45109054      7.47531265    -13.26679645
  H     11.39423492     11.47195413    -15.09067609
  H     16.96367033     10.67023809    -16.59115871
  O     15.98678257     11.43433414    -11.49114205
  H     15.23834046      8.26593956    -13.78737074
  H     17.97204821      9.88643392    -15.68651989
  O     13.22420084      8.62072931    -16.75985092
  H     16.00357064      7.78264418    -12.53540527
  H     14.31315288      9.36951503    -15.46002735
  O     12.32518236     10.03846814     -9.26457815
  H     15.17754168     11.55468136    -12.01062825
  H     15.71609983     10.00001925    -15.14511844
  O     12.81538646      7.42575091    -12.39313657
  H     16.71427491     11.72309621    -12.05505781
  H     10.65944152     10.29199681    -13.27863132
  O     13.76525211     11.55736886    -13.10074650
  H     13.08633905      9.45690246    -17.22470492
  H      9.26296137     10.52928397    -13.89551089
  O     16.77717005      6.84077565    -15.68050717
  H     13.92250891      8.14555485    -17.22959302
  H     15.35279091      9.13923712     -8.77183338
  O     12.91966937      7.25608614     -9.64259139
  H     12.47474603      9.08400252     -9.24069966
  H     14.67726996      7.80014871     -9.12635426
  O     19.08597692      8.43634340    -15.29937208
  H     13.18267853     10.44636045     -9.09163408
  H     12.02146756      8.01816608    -15.47654231
  O     15.51307815      7.56201473    -17.95265319
  H     13.73992926      7.34135734    -12.66398464
  H     10.89662178      8.63621072    -14.62954410
  O     19.11391902      9.39228183    -12.77690945
  H     12.28368783      7.42001951    -13.20349667
  H     17.73867270     11.59485396    -14.24314949
  O     17.36581432     10.63846877    -15.70946869
  H     13.05198431     11.10155009    -12.63245447
  H     18.44456080     12.80845868    -13.60083736
  O     14.88200092      9.70762757    -14.75693880
  H     14.15995013     10.90192289    -13.69957547
  H     16.53887934      9.64030544    -11.36869728
  O     10.17691577     10.37329669    -14.11997988
  H     17.61972875      7.29267829    -15.54737701
  H     16.52917089      8.42545454    -10.41201059
  O     15.53254046      8.20445869     -8.93403501
  H     16.32231332      6.86993351    -14.82899539
  H     15.37618142     11.25099472     -9.79443663
  O     11.44005106      7.84546432    -14.72380633
  H     12.84827027      7.23857110    -10.61142082
  H     15.31028855     11.70333653     -8.32083765
  O     18.00423285     11.98756558    -13.39412684
  H     12.48212126      6.47022063     -9.32430327
  H     15.04792940     10.77236218    -17.98064981
  O     16.87726540      8.74181916    -11.25772166
  H     19.15380668      8.69671317    -14.36285275
  H     15.83923381      9.45140850    -18.10492153
  O     14.99271589     11.03922920     -8.92820028
  H     19.97111936      8.24337403    -15.59639812
  H     11.84861350     10.13599881    -10.97716082
  O     15.94087637     10.40705643    -18.00730345
  H     15.97263600      7.26302232    -17.14689114
  H     12.16003020      9.13504357    -12.12081646
  O     11.78009999     10.00473079    -11.93342233
  H     15.64424807      6.88479744    -18.61051660
  H     12.83111412     11.56170350    -16.96152797
  O     13.18149897     11.22142026    -17.80445593
  H     18.90169574     10.32753197    -12.87772502
  H     12.71313300     11.67867172    -18.49786527
          69
 Energy    -249.81871696031192     
  O     -1.91572293      4.49273820      5.19347682
  H     -1.36099243      4.30365409      4.42455662
  H     -3.32625258     -3.22197102      1.90699630
  O      1.28634428      0.26994601      1.20559878
  H     -1.76823646      3.76040426      5.80471146
  H      0.80313603      2.12370042     -1.72301330
  O     -1.75809660     -0.86821648      3.56966517
  H      1.01279767      0.78519472      0.43647323
  H     -0.15360413      2.52319804     -0.57446022
  O     -3.53885643      1.32802619      0.43937803
  H      0.78241424     -0.55223120      1.17589559
  H     -4.99443034      5.26555332      5.27482971
  O     -3.77404273     -2.22939457     -1.02264336
  H     -1.96540333      0.05711936      3.36340978
  H     -3.63580065      4.60444887      4.93669331
  O     -0.64215683     -1.82259995      1.24074004
  H     -2.58703656     -1.34705162      3.44934995
  H     -0.73949114      3.80876539      1.21089189
  O     -5.60006115     -0.48342108      4.88976481
  H     -3.60723458      2.23293732      0.11362521
  H     -1.88092475      4.01098715      0.18690188
  O     -6.41727270      1.11351455      2.58126943
  H     -2.86635402      0.85385011     -0.06899310
  H     -5.11679456      4.00992970      3.09022491
  O     -1.76476336      2.09032912      6.76291981
  H     -3.41737468     -2.85055965     -0.37635840
  H     -5.75872841      2.81495915      2.33214238
  O     -1.66461122     -0.24501908     -0.84141881
  H     -3.07637048     -1.57813389     -1.17046017
  H      0.29244564      2.93290076      3.19953270
  O     -5.32522997     -0.70643078      0.70726419
  H     -1.17881705     -2.61645313      1.13780950
  H     -1.23931013      2.80083740      3.00916658
  O     -2.78492589     -3.71574939      1.26976713
  H     -0.92147508     -1.44712070      2.09012648
  H     -4.26880264      4.60159872     -0.58709352
  O      0.28116609      1.76735277     -1.00930691
  H     -5.08701451      0.30469954      5.13775988
  H     -4.34063402      3.99442901      0.83348037
  O     -4.60165809      4.50779213      4.85017802
  H     -6.19011153     -0.66589993      5.61702595
  H     -4.63421002     -1.56068824      2.14174304
  O     -0.94095273      3.81072714      0.26523025
  H     -6.26529039      0.48568195      1.86282541
  H     -4.73405080     -1.63644369      3.67614726
  O     -5.31969025      3.66952493      2.21238625
  H     -6.28261424      0.60272982      3.38610722
  H      1.54141588      1.13370691      2.68178034
  O     -0.50696125      3.43879714      3.01109594
  H     -1.54835068      2.03021578      7.68943957
  H      2.56775030      1.81357249      3.61681588
  O     -3.77947291      4.07575225      0.03966745
  H     -1.14292695      1.50589059      6.29306499
  H      0.54580332      0.84462105      4.80627658
  O     -4.25892584     -2.00184557      2.91987030
  H     -1.29588865     -0.79229908     -0.13284235
  H     -0.61726333     -0.16896771      4.86187266
  O      1.63499807      1.65339224      3.50040545
  H     -0.98807510      0.40825939     -1.06078071
  H     -3.38260898      1.83803850      5.92559643
  O     -0.11189478      0.45744159      5.39732002
  H     -5.00945044     -1.30274990      0.01503966
  H     -4.49346532      2.71060795      5.27905290
  O     -4.19050111      1.80029650      5.39498091
  H     -4.76679350      0.08339986      0.62546623
  H     -3.02862499      1.58373716      2.14786918
  O     -2.59911091      1.65950101      3.01130765
  H     -2.91642860     -4.64115227      1.46227789
  H     -3.27493132      1.76973476      3.68849910
          69
 Energy    -249.81859577892860     
  O     12.12305887      5.78246198    -12.23127808
  H     12.72847071      5.07581681    -12.48386957
  H     14.75732154      5.92476467    -15.05626455
  O     16.91701786     10.40485753    -14.91865181
  H     12.56276738      6.24309988    -11.50263244
  H     16.74172680      6.02113394    -13.78295483
  O     17.16855822      9.03079390    -12.52751884
  H     16.57443698     11.27592488    -14.68583997
  H     18.24432103      6.36983193    -13.82572787
  O     15.61527409     12.81073660    -14.18865167
  H     16.22951523      9.97354769    -15.44544775
  H     14.20871361      7.97883986    -12.00410586
  O     13.81460404      7.11209722    -10.47406002
  H     17.35726735      8.10306029    -12.72533278
  H     15.38497207      8.74105739    -12.67933346
  O     14.89128643      9.28724225    -16.54793483
  H     17.20110464      9.52008984    -13.36189649
  H     13.60754494     10.11534704     -9.70499155
  O     13.47386211     11.36502143    -15.47651148
  H     15.46914893     12.83664672    -13.22959518
  H     13.86194001      9.75263502     -8.22229409
  O     17.28034075      5.65180572    -16.87624893
  H     15.84675025     13.69750275    -14.45569528
  H     14.67194257      4.29639875    -13.62848281
  O     11.01908636      7.47832668    -14.03501429
  H     14.60808116      6.55377271    -10.49997075
  H     14.21266387      2.96496468    -12.99322517
  O     15.88923943      5.42216652    -11.04681931
  H     13.96366490      7.85535273     -9.87830979
  H     11.63852430      9.27276895    -13.55265300
  O     13.62923215      7.31018075    -15.09908723
  H     14.35691977     10.06574406    -16.33037911
  H     13.07713785      9.56734060    -13.10892401
  O     15.43832993      5.25610261    -14.89542543
  H     14.44122086      8.53351270    -16.14185086
  H     19.31699323      7.44568666    -15.59581497
  O     17.46968538      6.36781270    -13.24906800
  H     12.93951423     10.97504076    -14.77148046
  H     20.40090623      6.39030483    -15.27057450
  O     14.46072856      8.49002459    -12.78505147
  H     14.10977671     11.94433245    -15.04127154
  H     15.77040382     10.17816755     -9.90052970
  O     14.12656394      9.54065543     -9.11382192
  H     18.09311680      5.84178695    -16.39142584
  H     16.79668337     10.05994849    -11.06101311
  O     14.22892143      3.90860527    -12.85427695
  H     17.09370502      6.44202353    -17.39788696
  H     16.60708576      8.34341748    -19.10451704
  O     12.23074103      9.99585286    -13.31690227
  H     10.13220388      7.20097700    -14.24691870
  H     16.07266153      8.59636513    -17.67733459
  O     19.46341424      6.55696776    -15.22494366
  H     11.35269796      6.85660998    -13.36177524
  H     15.32581734     13.55316104    -10.84634174
  O     16.42898999     10.66958003    -10.40583013
  H     16.57609060      5.72679561    -11.65211856
  H     15.71442687     12.07374551    -11.07881899
  O     16.78529873      8.17056084    -18.18355674
  H     15.35649477      4.79638150    -11.55466005
  H     18.26137909      8.71681971    -17.10176227
  O     15.22408450     12.82738224    -11.45698818
  H     13.99349536      7.68808165    -14.28101129
  H     18.33511103      9.56623808    -15.82604379
  O     18.84034241      8.94120714    -16.36189646
  H     12.67457398      7.29978924    -14.96829014
  H     12.48650463     10.87290616    -11.67709536
  O     12.87446512     11.22147529    -10.86358853
  H     16.04272942      5.27240231    -15.65145553
  H     13.55825860     11.84358095    -11.13714926
          69
 Energy    -249.81847023811343     
  O     11.17655866     10.26954818    -11.27465108
  H     11.89589784     10.74234209    -11.71359103
  H     15.78941377     11.64555203    -14.95868921
  O     13.52748908      7.75991414    -15.09598948
  H     10.61574751      9.92274451    -11.97887778
  H     15.58735515      9.00625419    -12.92828124
  O     17.83677187      9.51328270    -10.47976706
  H     12.89888600      8.49064258    -15.06763840
  H     16.23738567      9.17629530    -14.33489696
  O     17.06914408     10.30850385    -15.45590495
  H     14.32850112      8.07260469    -14.64381623
  H     11.48536517      8.92542984    -10.20448487
  O     11.93326443     10.01720400    -14.81144682
  H     18.45442991     10.10066459    -10.05302235
  H     11.18612614      8.18786686     -8.87625460
  O     13.54861856      5.95959216    -12.97106850
  H     18.31048612      9.09906504    -11.22381597
  H     18.77957546      4.82674028    -11.18931143
  O     15.19119758      9.73165790    -11.30918510
  H     17.87796674      9.78359877    -15.45668805
  H     17.78510482      5.96598171    -10.85350804
  O     15.52902539      9.74918689    -17.64788731
  H     16.61053262     10.12860975    -16.29349460
  H     11.09346679      7.04293974    -11.24179390
  O     19.08219623      8.32293971    -15.32172567
  H     12.43408320     10.42061657    -14.08511656
  H     11.74954562      6.27731193    -12.40847247
  O     14.83752501      6.98984388    -17.37875861
  H     11.12583975      9.65000544    -14.43091252
  H     19.10330859      8.23098236    -13.42232805
  O     17.31746766      6.38752057    -16.06257784
  H     14.45469206      5.64796008    -13.10066112
  H     18.94993692      7.22515040    -12.25395070
  O     14.96984573     12.13742820    -14.81870587
  H     13.38379593      6.53945025    -13.72891857
  H     16.97968148      5.63161302    -12.86095150
  O     15.76777557      8.55604213    -13.76190830
  H     16.09587660      9.78993038    -10.97546968
  H     16.19917511      6.79550726    -13.53763651
  O     11.62091803      8.09162912     -9.71901493
  H     14.80947251      8.90789069    -10.97351682
  H     15.89311950      6.95619418     -9.91673326
  O     18.29694784      5.55329764    -11.57319022
  H     15.30035498      8.81309047    -17.69224702
  H     17.17465637      7.81675134     -9.82585194
  O     10.92963778      6.70441604    -12.13118713
  H     14.70031950     10.22708918    -17.51519297
  H     12.60497612     11.80761198    -17.42986413
  O     19.08944029      8.15754033    -12.46105317
  H     19.88132578      8.23949122    -15.83569324
  H     12.66129100     10.80981457    -16.25262348
  O     16.28791859      5.82924336    -13.50394639
  H     18.47909494      7.62251487    -15.62860434
  H     13.95525184      6.81001338    -11.36275130
  O     16.84321715      6.91382078     -9.74429367
  H     14.29555651      7.19553467    -16.59819879
  H     13.31327372      7.51302864    -10.13505930
  O     13.19466352     11.23724618    -16.94248268
  H     14.33246144      6.38154722    -17.91240364
  H     14.00135884     10.75108029    -12.18732044
  O     14.15751512      7.27851817    -10.54178681
  H     16.54041617      6.56504042    -16.60502085
  H     13.93512536     11.67778467    -13.42084265
  O     13.38476052     11.21568191    -12.77065805
  H     16.98214137      6.00863568    -15.23869618
  H     10.19952309      8.03123504    -13.00949910
  O      9.83742983      8.84613227    -13.40132022
  H     14.44263391     11.99060138    -15.61240588
  H      8.90369028      8.69971678    -13.52596038
          69
 Energy    -249.81841669028196     
  O     20.21033540     11.13849517    -18.26738076
  H     20.65483585     12.00555903    -18.27724032
  H     17.12591770     11.87985270    -17.77100766
  O     16.94785766     18.25744790    -13.72694716
  H     20.71826611     10.56112462    -18.83064659
  H     19.52238987     17.26378950    -18.17781971
  O     22.42276591     14.67225554    -15.85029201
  H     16.55978948     19.07327105    -13.42396934
  H     19.82348363     18.75040970    -18.47763428
  O     15.30289200     13.88594596    -14.96014286
  H     16.91482847     18.27143434    -14.70065511
  H     14.94089395     12.65502542    -13.56872160
  O     16.66028560     11.67697804    -16.00622289
  H     23.33837980     14.73145760    -15.59048331
  H     15.77294353     12.17308825    -12.35878878
  O     17.53231990     12.16539145    -11.46978743
  H     22.06592862     15.57836485    -15.82186107
  H     20.74732889     17.14340959    -14.93312638
  O     15.63818615      9.70763712    -14.26717151
  H     15.29920514     14.41925040    -15.76333166
  H     20.83487037     17.58714156    -16.40456167
  O     21.33001016     13.59373230    -18.23203056
  H     15.64135571     14.47425790    -14.26474621
  H     17.39409962      9.81202872    -13.49993777
  O     19.31347756     15.53170201    -18.53384013
  H     16.26679678     10.92053923    -15.55342684
  H     18.78221448     10.32170345    -13.92307713
  O     16.32064014     15.53590930    -13.07108138
  H     16.24403559     12.46747082    -15.63590602
  H     16.26715853     15.18591231    -17.99705262
  O     20.30365103     13.37533904    -14.50757732
  H     17.53966003     11.83495938    -10.57444947
  H     16.94357283     15.27896767    -16.60765478
  O     17.51837922     12.04592240    -18.63923339
  H     17.84834101     11.43904676    -12.03567315
  H     19.28578679     16.14219586    -13.14551795
  O     19.57560058     18.14906531    -17.77932903
  H     14.95147888      9.04729846    -14.26034347
  H     18.61106487     17.45369378    -13.64408054
  O     15.01049038     11.95326564    -12.90762772
  H     15.31605698     10.45856729    -13.73408865
  H     16.59439336     17.29901092    -16.74287239
  O     21.33311956     17.15158813    -15.70465729
  H     21.80000509     13.93390920    -17.46098020
  H     17.85421388     18.19127254    -16.88966514
  O     18.23775849     10.12681949    -13.15017193
  H     20.70412584     14.28459736    -18.48515715
  H     18.42805855     13.72229089    -11.96841165
  O     16.13203112     15.49755737    -17.09464124
  H     19.12151058     15.34694669    -17.59976551
  H     19.42761478     14.04861053    -13.09208914
  O     19.37896083     16.87990073    -13.76298159
  H     18.54874217     15.22368373    -19.03647149
  H     19.70929603     10.94851860    -16.48299113
  O     17.01357760     18.10964548    -16.42472201
  H     17.18988772     15.19609146    -12.82237676
  H     18.41282478     11.31436558    -15.72018590
  O     18.86868856     14.45731788    -12.41372978
  H     16.43005094     16.48078860    -13.22734208
  H     19.09787396     14.36088949    -15.51165703
  O     19.33926558     11.05464598    -15.59835201
  H     21.10242766     13.71340026    -14.93024182
  H     18.76244004     15.83598251    -15.28867762
  O     18.61081252     15.10020776    -15.89447514
  H     20.09580202     12.50393757    -14.87216826
  H     17.13605930     13.56687871    -19.31389060
  O     16.95609730     14.47570413    -19.62001902
  H     18.41471813     11.69291950    -18.60222657
  H     16.50762233     14.40236228    -20.45738580
          69
 Energy    -249.81743989805358     
  O     17.10204983      7.58795189    -13.80175205
  H     17.38597344      8.10239959    -14.56644401
  H     12.59058705     11.97146771    -16.40612474
  O     12.01087280     11.57670655    -11.30943869
  H     17.69244203      7.75435445    -13.05258865
  H     16.44506236      7.77396295     -8.87039405
  O     11.19688933     10.37613207    -13.56407861
  H     11.64043512     11.12596475    -12.09216355
  H     17.15340280      6.40891869     -8.99964119
  O     14.99463323      5.88127145    -13.48636511
  H     11.27300261     11.93332306    -10.82272977
  H     13.26901957     10.28348085    -10.86625522
  O     18.37990594      8.02934652    -11.42233678
  H     11.31928874      9.41684126    -13.62242561
  H     14.34134333      9.60330605    -11.75150787
  O     19.55631307     10.50823508    -12.09517554
  H     11.64925473     10.76003439    -14.32317098
  H     17.60105422      5.05295573    -10.66575570
  O     16.51270070      9.38996318     -9.82535014
  H     15.78960371      6.42611763    -13.59789162
  H     18.98799882      4.83301203    -10.01446238
  O     11.75739036      7.68006336    -13.69893304
  H     14.45359940      6.28375474    -12.78993042
  H     15.90334774     11.21987717    -12.89128241
  O     17.39559228      9.31182550    -16.03602520
  H     17.71710853      8.48608306    -10.88402740
  H     15.32541105     12.64290590    -12.87565644
  O     13.65514865      6.76538695    -15.70913363
  H     18.50438821      7.15704431    -11.02781826
  H     15.77067462      4.72421129    -12.15268595
  O     14.55294658      9.41680430    -15.97751956
  H     19.33643538      9.59477397    -11.87046691
  H     15.43605874      4.55689062    -10.65876539
  O     12.85598028     11.56403807    -15.58467839
  H     19.06354445     11.04720280    -11.46466476
  H     15.89646946      8.88437497    -13.31801620
  O     16.39968000      6.85062497     -8.58947906
  H     16.90566284     10.26976062     -9.88605428
  H     14.80226825      9.59612669    -14.12822623
  O     13.93969889      9.59028560    -10.86697706
  H     15.58713227      9.47911256    -10.09344156
  H     18.82586617     10.99566470    -13.69859246
  O     18.34484876      5.50363828    -10.22731844
  H     12.28303982      7.35360723    -14.43628753
  H     17.53639836     11.77776210    -13.97857327
  O     16.14055910     12.14399583    -12.72759761
  H     12.18715177      7.34998220    -12.89900961
  H     13.54888551      6.36776978    -10.72356043
  O     16.11901277      4.38449663    -11.31961409
  H     17.98372747      9.24860436    -16.78358337
  H     13.50754138      7.85012424    -11.17862756
  O     15.21870664      9.56917702    -13.25947462
  H     17.71066101     10.05944417    -15.49351851
  H     17.72941551     12.74058603     -9.99369705
  O     18.23049161     11.26739914    -14.41257202
  H     13.41591887      6.05830316    -16.30331180
  H     17.08311528     12.08140481    -11.23489537
  O     13.36554762      6.94108014    -11.47779846
  H     14.14259397      6.35870837    -14.97250984
  H     13.06851275     12.65921541    -12.51636884
  O     17.62200257     11.90652956    -10.44344015
  H     15.51112493      9.39306412    -16.10406394
  H     13.34819019     12.63469316    -14.03183912
  O     13.61249773     13.05897431    -13.20648727
  H     14.23287295      8.50416478    -15.97959526
  H     14.98903554      5.91436254     -9.00836425
  O     14.27276634      5.35126706     -9.35393885
  H     13.45462900     10.83680313    -15.81813094
  H     13.85735900      4.93866537     -8.60176859
          69
 Energy    -249.81702898581079     
  O     17.46640573     11.94087864    -12.87864044
  H     17.41007496     11.47435825    -12.02529931
  H     17.93943778      7.37827346     -9.76262994
  O     14.83138855      6.42940352    -14.79063621
  H     17.84790266     12.79622637    -12.70050286
  H     16.91290984      8.68278465    -13.57113412
  O     14.11527682      6.72250056    -10.26280607
  H     15.30389225      7.06657181    -14.22826211
  H     15.85574272      8.49163305    -12.43900962
  O     17.17960244      8.54978889    -16.56471246
  H     15.49385163      6.07601281    -15.39519117
  H     14.36951151     11.23558160    -13.82223628
  O     10.71323403      9.14795934    -12.02313840
  H     14.08585532      6.17466187    -11.06290245
  H     15.84160984     11.73669467    -13.85695693
  O     13.01848645      8.39816243    -15.36127981
  H     14.95039844      6.52452656     -9.82455064
  H     10.99521813      6.09616816    -13.16676179
  O     14.82491020      9.27103346    -11.13193602
  H     17.67722969      8.98981861    -15.86067820
  H     11.14643419      5.96810994    -11.64088791
  O     10.58692828      7.51357190    -14.38825039
  H     16.36619818      9.05554266    -16.67234129
  H     14.65299283     10.74325937    -17.41449825
  O     18.00027700      5.87064198    -13.53311256
  H     10.88535947      8.52522582    -11.30621335
  H     14.93729281     10.70063987    -15.89508909
  O     17.16383402      5.86756840    -16.26345292
  H     10.51437087      8.60818623    -12.79905295
  H     16.83150415      5.45802227     -8.60762621
  O     16.57796614      4.47984994    -11.56396600
  H     13.51887348      8.99746217    -15.92895616
  H     16.73524522      5.42503402    -10.15098473
  O     18.59605457      8.06578765     -9.94928941
  H     13.59013119      7.63010483    -15.21177707
  H     13.01562364      5.07086780    -12.52020440
  O     16.29598508      8.05328828    -13.17516286
  H     14.49697384      8.43817604    -10.77122381
  H     14.25869272      5.47984885    -13.35056802
  O     15.06764615     11.56350573    -14.40440166
  H     14.16570579      9.60250255    -11.75838459
  H     11.03483148      6.97849222     -9.21751431
  O     11.26617321      5.48702329    -12.46875061
  H      9.92287702      7.47760042    -15.07257586
  H     12.33956757      6.99795534    -10.04277264
  O     14.78595068     10.14618095    -16.68268765
  H     11.40136079      7.83417289    -14.80901585
  H     19.37791191      8.00114905    -11.71201353
  O     16.74128038      6.01747756     -9.37528243
  H     17.42335788      6.61155929    -13.28786605
  H     19.35191617      7.10859535    -12.96087620
  O     13.98367837      5.09406431    -12.50788799
  H     17.85425892      5.73392720    -14.47685269
  H     12.20796829      9.93293857    -12.64216369
  O     11.37797232      7.11976818    -10.09663694
  H     17.45623353      5.43328569    -17.05948169
  H     13.08947386      9.50533248    -13.83572548
  O     19.70109580      7.94253955    -12.61898273
  H     17.20916653      6.82745736    -16.43213274
  H     17.76325457      9.74368094    -10.36192505
  O     13.06295545     10.09137823    -13.06830807
  H     15.67552541      4.50187192    -11.90898696
  H     16.31786138     10.16209542    -10.67374825
  O     17.22315494     10.50193764    -10.60956405
  H     17.15085715      4.80212293    -12.27306233
  H     18.92977678      9.15541950    -13.71995770
  O     18.31393179      9.65527494    -14.27768736
  H     19.23100168      8.03249945     -9.23600948
  H     18.14957199     10.50821456    -13.85829731
          69
 Energy    -249.81651904748168     
  O     13.29058179     12.25565239    -14.61701325
  H     13.15298335     11.56960608    -15.28496507
  H     12.37331003      6.63678764    -15.81781777
  O     14.30727943      6.61852393    -13.51525808
  H     14.22042703     12.50345766    -14.67609060
  H     16.52310386     11.59300163    -16.24883594
  O     18.01667246      8.67986350    -12.45828732
  H     13.82602872      6.17839500    -14.22814044
  H     17.33516658     10.30272260    -16.43047400
  O     17.78964121      8.95440457    -15.25708961
  H     14.58691440      7.47411494    -13.87749540
  H     15.32097476      9.68057539    -13.89594510
  O     11.23005262      8.15448638    -15.59124067
  H     17.65132139      7.80650287    -12.66466744
  H     14.39631305      9.42661640    -15.12582594
  O     15.78137803      9.12195239     -8.93241845
  H     18.25966993      8.65753565    -11.52450603
  H     12.50565544     11.88572019    -13.12424760
  O     13.18918276      7.62715625    -11.25043414
  H     16.82937910      8.89533688    -15.12368786
  H     11.46723972     12.29423442    -12.05178292
  O     16.18339312     10.75886388    -12.67016795
  H     18.16196183      8.96474374    -14.36714439
  H     17.58855603      6.67789908    -10.04033657
  O     15.16095579      6.70379743    -17.57785301
  H     11.26313577      8.39273985    -14.64637458
  H     17.07231254      5.84716617    -11.23415411
  O     14.63342052      6.50238525     -9.11347927
  H     10.30899856      8.03998211    -15.81056838
  H     11.52272210      9.83908997    -12.77192492
  O     17.46966683      6.21181845    -15.81760555
  H     15.22119635      9.65746618     -9.50823878
  H     11.86012054      8.39820130    -12.34278822
  O     13.01553585      5.91579413    -15.82734685
  H     15.33360579      8.27002562     -8.85036694
  H     16.01367022      6.20052283    -13.13379073
  O     16.78051510     10.93718044    -16.90712730
  H     13.55687944      7.18299191    -10.47739787
  H     17.27550471      5.99891487    -13.98207049
  O     15.07109540      9.02862984    -14.56356259
  H     13.57151617      7.19184937    -12.02870175
  H     18.93181062      8.67969104     -9.00639376
  O     12.08002253     11.60526051    -12.29409746
  H     16.86494273     10.08406646    -12.54156327
  H     17.43299990      8.76413516     -9.38369827
  O     17.01987074      5.93413247    -10.27263632
  H     15.50475508     10.63148311    -11.99243725
  H     15.00348010      9.75129663    -19.20933355
  O     11.37486760      8.91372998    -12.99966557
  H     15.14634190      7.63946236    -17.82690497
  H     15.67326712      9.99192948    -17.83771265
  O     16.97815180      6.13878614    -13.07300616
  H     15.28291036      6.21210075    -18.38863682
  H     13.81150228      9.31633032    -11.05655949
  O     18.30471849      8.45259418     -9.68729866
  H     14.42281838      5.84835195     -8.45270194
  H     13.41302682     10.79475343    -11.27843507
  O     15.02710084      9.43497231    -18.30974727
  H     15.46323337      6.21650877     -9.53681136
  H     16.21251005     12.01368956    -13.92056146
  O     14.11576116     10.22870274    -10.93612766
  H     16.67548569      6.25741542    -16.36086166
  H     16.61249506     13.41021656    -14.44784499
  O     16.11559469     12.62646035    -14.67003854
  H     17.77785560      7.12621981    -15.75577288
  H     13.63357699      9.83099371    -17.10181441
  O     13.12663403     10.05670883    -16.31303313
  H     13.70458580      6.17001039    -16.45416881
  H     12.43381164      9.39385884    -16.18709835
          69
 Energy    -249.81626525840704     
  O     15.76301263      9.93436647    -16.23568601
  H     15.82953148      9.45311138    -17.06897393
  H     17.81233285      7.80648740    -17.90681600
  O     18.13750907      5.78737608    -12.01833639
  H     14.96532983      9.62139959    -15.79504484
  H     16.90395778      5.35876220    -15.38863995
  O     19.02191901      4.62153633    -18.19736348
  H     18.91064244      5.76693484    -12.59968795
  H     17.28999901      6.65014147    -16.14979456
  O     14.27272891      6.96643436     -9.74579348
  H     17.64039234      6.57578586    -12.28455366
  H     13.56240223      8.61711548    -13.92682886
  O     13.86994077      5.07896324    -13.40344092
  H     18.14666693      4.24654261    -18.34894691
  H     12.62710865      9.48445631    -14.79559867
  O     16.67660439      7.81012658    -13.12337876
  H     18.87889923      5.56695988    -18.03983953
  H     14.53870522      3.39618826    -10.42380570
  O     17.15594809      3.51188945    -15.41831051
  H     14.15534274      7.39293819     -8.90123726
  H     15.22671885      2.13213359     -9.85203041
  O     13.18267776      4.47406692    -10.73049676
  H     15.12950264      6.50406635     -9.70811909
  H     13.67318713      7.25829952    -15.64209421
  O     20.04731430      8.41123272    -15.53745515
  H     13.79645047      5.35025849    -14.32746083
  H     14.95157750      6.39174059    -15.77692127
  O     16.33496230      3.60368816    -18.05481589
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  H     20.07838235      6.74807864    -14.50245700
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  H     15.75821173      7.85896511    -12.83588071
  H     20.08020910      5.20788902    -14.63001131
  O     18.43736532      7.22060213    -17.46199288
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  H     16.99484681      4.49896826    -12.55744184
  O     16.70943266      6.30078617    -15.46181560
  H     18.12227273      3.47869904    -15.43896044
  H     16.06877015      3.37144039    -12.02622874
  O     13.40745134      8.93592214    -14.83110177
  H     16.87042391      3.45163880    -14.49585463
  H     16.28085788      4.57554128     -9.79001930
  O     15.39150015      2.93244647    -10.34245034
  H     13.21068020      4.62435833    -11.68549261
  H     17.24148621      5.62484647    -10.38344207
  O     13.98596059      6.37753537    -15.88344407
  H     13.38842041      5.32520815    -10.32449435
  H     15.41838150      5.23382706    -18.43866178
  O     20.05206062      5.93054118    -13.99211636
  H     19.34166515      8.96950655    -15.16083214
  H     14.41198727      6.12546615    -17.69178352
  O     16.34458843      3.83260463    -12.82736681
  H     20.84240355      8.93705555    -15.53848260
  H     13.89527582      6.77744686    -12.76627174
  O     16.55894215      5.49584561     -9.71101857
  H     16.53667181      3.50947974    -17.10883089
  H     14.01169215      7.60428504    -11.46653666
  O     14.93798750      6.06810618    -18.50100136
  H     15.99287587      2.76109742    -18.34472296
  H     17.58789466      9.23834414    -13.88974266
  O     13.96275798      7.68327111    -12.42743227
  H     19.70181871      4.02825177    -16.71121252
  H     17.25329928      9.97804802    -15.19027127
  O     17.97596176      9.80506164    -14.56939497
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  H     15.74910185      7.60849847    -18.65988488
  O     16.22325025      8.45908038    -18.65456106
  H     19.03178854      7.73808069    -16.90219760
  H     16.09421800      8.85103585    -19.51430874
          69
 Energy    -249.81617918536273     
  O      0.14458090      2.73050301     -2.63293343
  H      0.15755809      3.15402452     -3.48690046
  H     -3.26468904      0.45803710      3.11049296
  O      1.38943490      4.24587857     -0.77836471
  H      0.60433590      3.32732139     -2.01459176
  H      0.04942742      0.06235175      2.22496948
  O      3.03974837     -0.30442916      1.85178963
  H      2.26727479      4.07333036     -0.42096053
  H      0.20445258     -1.41756589      2.62843323
  O      0.80057420      1.20166427      1.12371210
  H      0.79610638      4.24904494     -0.01270635
  H      3.33865268      0.52042348      3.49223924
  O     -2.28375361      2.07509574     -1.24048054
  H      2.33011382      0.32203425      1.63890046
  H      3.47864286      1.97788274      3.96586182
  O     -2.73310265      2.79073234      1.34075186
  H      2.62833146     -1.17640874      1.81795339
  H     -3.46801223      3.70067748      2.68596067
  O      1.32086459      0.44761682     -1.52583895
  H      0.51514704      2.11987893      1.18081419
  H     -4.53035041      4.63616427      3.30389711
  O     -2.61173031     -0.65498691     -0.33543962
  H      0.88497550      0.97399083      0.18837292
  H      0.70682717      2.71413582      4.32611467
  O      3.86676103      3.64083390      0.55302021
  H     -1.49248891      2.26914619     -1.75590349
  H     -0.01851386      4.06535033      4.53039317
  O      0.01220072     -1.79273537     -0.55329848
  H     -2.30663106      1.12033714     -1.10150942
  H      1.59480421      0.94753781      4.87647356
  O     -1.58862292      4.35215651      5.31307999
  H     -2.66525670      2.67946147      0.38012696
  H      0.28004701      0.36127636      4.29608893
  O     -2.83287558      0.14563148      2.30198061
  H     -2.74085050      1.89828979      1.71281600
  H     -3.90366152      2.29344413      4.32064216
  O     -0.25625228     -0.60409866      2.86351553
  H      2.25553802      0.62519682     -1.33924704
  H     -3.05476148      1.41438917      5.25509509
  O      3.28479534      1.08694933      4.27511504
  H      0.96778893      1.18337817     -2.04029125
  H     -1.51314460      1.41061069      7.33413802
  O     -3.80375950      4.05894968      3.52491370
  H     -3.39526393     -1.11233555     -0.63355033
  H     -0.76466009      1.40968595      5.98365040
  O      0.73225943      3.64918920      4.08151458
  H     -2.77210926     -0.41414230      0.59185074
  H      3.88993512      1.87989418     -0.21113232
  O      0.62981174      0.97502398      4.95683981
  H      4.65455823      4.15979201      0.40157672
  H      3.79787417      0.41622359      0.24317079
  O     -3.73760673      1.37720108      4.57380931
  H      3.68099621      3.69655110      1.50257604
  H      0.11779074      3.84664841      2.38757697
  O     -1.57539033      1.70703157      6.42941620
  H     -0.89559431     -1.47368451     -0.49024565
  H     -1.08142558      3.53340771      1.44156885
  O      3.83946427      0.97568473     -0.54390533
  H      0.50385940     -1.10030180     -1.01805531
  H      0.86943995     -2.37033949      0.83273678
  O     -0.15530766      3.80937936      1.46185934
  H     -1.65646974      3.53075842      5.81708618
  H      1.46544109     -3.53628754      1.65894416
  O      1.33110686     -2.59300566      1.66284545
  H     -2.35404276      4.36402090      4.72486326
  H      3.80825660      4.45575712      3.89819323
  O      3.35382384      3.85572198      3.31040608
  H     -1.96742206     -0.20018296      2.56462095
  H      2.42088396      3.86363599      3.58409544
          69
 Energy    -249.81533131247821     
  O     17.33482575     12.14299991    -12.84574032
  H     17.26237614     11.69409485    -11.98363650
  H     16.61114210      4.28027047    -12.27632466
  O     14.80023147      6.39149033    -14.74606334
  H     17.71992132     12.99908385    -12.68036947
  H     20.27429517      9.00454746    -10.93275753
  O     13.96507257      6.54984278    -10.26611529
  H     15.27205403      6.98714540    -14.13965731
  H     19.09699644      8.01205718    -11.03430766
  O     18.56759951      6.39686887    -10.69753284
  H     15.48395152      6.01119074    -15.30826103
  H     16.91891215      8.53657435    -13.36128843
  O     17.39852407      8.48621040    -16.17976036
  H     13.86729646      6.06455876    -11.09995009
  H     15.87549767      8.27322186    -12.24011362
  O     10.75591782      9.33943676    -11.93606790
  H     14.71645552      6.15433039     -9.80747719
  H     14.36186202     11.22155165    -13.71985164
  O     13.09234366      8.46035268    -15.26039119
  H     17.83626567      6.09384634    -10.14798738
  H     15.76652234     11.87216620    -13.81025982
  O     14.95766881      9.07625205    -10.90461397
  H     18.46427269      5.94739281    -11.54755124
  H     10.74614096      6.37449556    -13.25753458
  O     10.52421536      7.88034604    -14.40928290
  H     17.85954895      8.93131001    -15.45656839
  H     10.90258774      6.14392061    -11.74238012
  O     17.71103263      5.50015340    -13.20652584
  H     16.59633573      8.99691394    -16.34245328
  H     14.93834904     10.62772952    -17.31575060
  O     17.24987712      5.77594905    -16.02272760
  H     10.87465739      8.65852730    -11.26190974
  H     15.05211114     10.68704380    -15.77404600
  O     15.97854828      3.86755214    -11.67326975
  H     10.51683021      8.87264890    -12.74706941
  H     16.42869433      4.65276993     -8.61018141
  O     19.38914206      8.90881468    -11.27484868
  H     13.64121773      9.03638271    -15.80649158
  H     16.19056315      4.64852956    -10.13994717
  O     16.29178996      7.88746884    -13.01989583
  H     13.60595791      7.64809794    -15.13785712
  H     12.66158864      5.15479399    -12.65429238
  O     14.99676615     11.61713200    -14.33222047
  H     14.57534285      8.25173763    -10.57849781
  H     13.99212347      5.45623005    -13.40583730
  O     10.95591453      5.70130325    -12.59849759
  H     14.32616867      9.46141240    -11.53083677
  H     10.89652172      7.00364433     -9.26833252
  O     15.01943988     10.08160037    -16.53795633
  H      9.88885941      7.96005782    -15.11667091
  H     12.21261100      6.96688958    -10.07362292
  O     16.28271566      5.22571508     -9.35859730
  H     11.39104047      8.09925263    -14.78845353
  H     12.36040297      9.93160553    -12.47035577
  O     13.62450482      5.07290073    -12.59870252
  H     17.22391382      6.32014761    -13.02733288
  H     13.23988574      9.44202239    -13.64398243
  O     11.26381440      7.16306823    -10.13454194
  H     17.72676154      5.42750782    -14.16683535
  H     17.96188603     10.04896339    -10.68895616
  O     13.24497868     10.00248937    -12.85765157
  H     17.58213530      5.37951925    -16.82315616
  H     16.41949307     10.13402921    -10.56224423
  O     17.22678316     10.66679174    -10.59198457
  H     17.35151776      6.74017950    -16.12413230
  H     18.81413240      9.37212026    -13.00762126
  O     18.32696200      9.66630040    -13.78935601
  H     15.10211139      4.09772264    -12.01124673
  H     18.03436195     10.56719803    -13.59961509
          69
 Energy    -249.81522994099163     
  O     10.79217013     10.05385181    -11.15838848
  H     11.58933267     10.45845211    -11.52539891
  H     14.69462946     13.52275293    -14.16645771
  O     13.50722320      7.54898928    -15.03080360
  H     10.25511968      9.78871356    -11.91509485
  H     15.42571212      8.57720576    -12.60542415
  O     17.59448872      9.23850473    -10.50313740
  H     12.84299627      8.25060639    -15.03369756
  H     16.13532098      7.52972511    -13.54466412
  O     11.86072744      9.70925253    -14.65362158
  H     14.24332923      7.88629007    -14.49363099
  H     10.57356224      7.89110996     -8.84652298
  O     15.92723832      5.39584890    -10.56343559
  H     18.09484468      9.58086457    -11.25366355
  H     10.96928059      8.65501243    -10.13323332
  O     12.91977741      5.78347486    -12.95688152
  H     17.89997507      8.33077996    -10.37954217
  H     18.78841061      6.85242524    -12.25849022
  O     14.92050157      9.25846547    -11.02867159
  H     10.97919644      9.45278754    -14.35719840
  H     18.97218457      8.07406498    -13.17755448
  O     15.76990872      9.82681153    -16.94068556
  H     12.31518135     10.07725700    -13.88086297
  H     10.48470099      6.86293188    -11.26886931
  O     15.21155750      4.13783535    -13.02384290
  H     15.70786203      4.86020322    -11.33486965
  H     11.14374058      6.17856963    -12.48417177
  O     16.78530514     10.67585143    -14.38853959
  H     15.12772916      5.89541316    -10.35301272
  H     18.26161991     10.30681493    -13.48242937
  O     15.56449819      6.91498701    -16.73469704
  H     13.60296362      5.10296380    -12.99352144
  H     19.72992916     10.54720411    -13.06622258
  O     14.70436599     12.57202882    -14.09945473
  H     13.05831200      6.35508572    -13.72502143
  H     16.55836423      6.21322193    -15.25497804
  O     15.62559003      8.34641337    -13.52264853
  H     14.49391864      8.45911638    -10.69166409
  H     17.63386237      6.24781453    -14.09586008
  O     11.04413466      7.80070729     -9.67043449
  H     15.83322559      9.30053657    -10.70568515
  H     17.50710733      6.08488507    -10.46031196
  O     18.85925702      7.11637332    -13.18566273
  H     16.29571153     10.13376788    -16.19135053
  H     18.90276347      6.05467746     -9.79482017
  O     10.32279766      6.58674262    -12.17948279
  H     15.81511913      8.86526459    -16.92194490
  H     14.24075517     10.80501606    -16.58983802
  O     18.98300467      9.97126314    -12.92412990
  H     15.38959170      3.24062906    -13.29313380
  H     12.86715602     10.79425332    -15.85759457
  O     16.78796506      5.86890843    -14.38351819
  H     15.80326116      4.71237671    -13.54217836
  H     12.73686952      7.17744189    -10.05234100
  O     18.38452938      6.50769232    -10.45445947
  H     16.33620906      9.85895931    -14.11707210
  H     13.33766121      6.56011747    -11.33869353
  O     13.55185525     11.37319708    -16.21473162
  H     16.16264719     11.39824170    -14.24029303
  H     13.79717793     10.34388843    -11.90566393
  O     13.56749509      6.91143873    -10.46614462
  H     14.73622152      7.07718706    -16.25059819
  H     13.68128499     11.53405050    -12.89788596
  O     13.17274402     10.85082236    -12.44553550
  H     15.32407543      6.49164302    -17.55566448
  H      9.74403930      7.99599281    -13.03997089
  O      9.49147963      8.85294617    -13.42819447
  H     14.27108273     12.22665755    -14.90286844
  H      8.57089714      8.78775250    -13.66658507
          69
 Energy    -249.81478164418237     
  O     12.12490205      9.13663341    -14.42426477
  H     12.82538635      9.67432695    -14.80731894
  H     18.89598221      5.87925090    -15.20461355
  O     16.34372322      5.56787377    -12.02507984
  H     12.02284695      9.41595086    -13.50526547
  H     17.17282234      9.40762711    -16.40618122
  O     18.22484894      9.73927079    -12.65291846
  H     15.83003800      5.98473748    -11.31815266
  H     16.78712516      9.83154853    -17.84157281
  O     12.48645643      6.47771963    -13.81748888
  H     17.20978936      5.99940398    -12.05688760
  H     14.18313313      7.11165344    -13.70213431
  O     16.37894912     10.11148506     -8.78414202
  H     17.28647072      9.92725873    -12.80329227
  H     15.60226546      6.76206532    -13.17692454
  O     14.90336585      7.00695184    -10.15149794
  H     18.45866149     10.10466440    -11.79104310
  H     11.81284570      8.54816595    -11.36187848
  O     15.54963550     10.00546804    -13.20115770
  H     12.23096301      7.33091415    -14.20043304
  H     10.89503246      9.78436674    -11.21577165
  O     15.57077630      6.90913344    -16.42012381
  H     12.74394935      5.87159415    -14.52607820
  H     19.06812241      8.62334253     -9.67215714
  O     16.73951335      7.34890235     -8.06148091
  H     15.62310800     10.09269941     -9.38759495
  H     18.99784413      7.30066658    -10.45618024
  O     17.51611788      5.01996539    -15.74379428
  H     16.42496866      9.23271705     -8.38846100
  H     13.05541806      6.72086000    -10.69676054
  O     15.74972798      3.68695870    -13.94719713
  H     15.45167670      7.02528838     -9.35668285
  H     12.25119463      6.56952100    -12.01677693
  O     19.62204519      6.43967334    -14.87464955
  H     14.74389904      7.93139642    -10.38855854
  H     18.51205086      9.40151960    -14.47095741
  O     16.41784177      9.58210089    -16.99820498
  H     15.14440521     10.47377268    -13.93853662
  H     18.92251377      8.17147831    -15.29738609
  O     15.11091166      7.38557744    -13.72448805
  H     15.40687796      9.06019970    -13.37905387
  H     19.11302157      6.72956595    -13.10953705
  O     11.73624256      9.49943789    -11.56288945
  H     15.43790498      7.08752973    -15.47550130
  H     18.48958258      7.95239027    -12.40274418
  O     18.98236524      7.66800847     -9.56297385
  H     15.79923658      7.75820732    -16.80948690
  H     17.89913645     10.44490290     -9.55721132
  O     12.19090746      6.86968112    -11.09678325
  H     16.94016126      6.92779500     -7.23025167
  H     19.23626589     11.22349409     -9.60088675
  O     18.50431880      9.03783163    -15.36589775
  H     17.57130873      7.38647924     -8.56734022
  H     14.25885048      5.49626859    -16.16570022
  O     18.68728234      7.01085011    -12.29041482
  H     16.88805573      5.65127956    -16.12171159
  H     14.34559660      4.37300741    -15.12047149
  O     18.76174042     10.50323567    -10.00676350
  H     16.99349449      4.43818588    -15.17973589
  H     13.45056083      9.76637226    -10.89620908
  O     13.72310641      4.85995703    -15.67498871
  H     15.69954614      2.80666081    -13.58260387
  H     14.83185580      9.93006931    -11.56225226
  O     14.39865489      9.73732338    -10.71863515
  H     15.93689571      4.28446896    -13.20407505
  H     14.04393771     11.55360157    -16.04509380
  O     14.30765952     10.75854425    -15.58742667
  H     20.43147736      6.07868143    -15.22531857
  H     15.00411562     10.34761434    -16.12413851
          69
 Energy    -249.81451985229222     
  O     14.83015228     11.66086778    -10.86075362
  H     15.53936384     11.57976159    -11.51585192
  H     16.34823627      3.81622458    -14.98550147
  O     15.64582703      7.21958056    -15.03818370
  H     15.09718221     11.10463397    -10.12199646
  H     19.17280245      9.09372931     -8.82312279
  O     14.52920660      5.23437687    -10.53588262
  H     14.71195400      7.47110786    -15.06260514
  H     18.76530467      9.66755694    -10.20165447
  O     18.38610381      7.07767280    -11.50893364
  H     15.69407486      6.26061112    -14.93498692
  H     15.92592914      7.94908961    -13.40676928
  O     16.38528635     11.36257680    -15.50852691
  H     14.39705267      6.18525324    -10.43272315
  H     16.87181980      7.85666423    -12.18050742
  O     10.64328852      6.38341384    -12.62037649
  H     13.69563769      4.88380272    -10.87209981
  H     13.40007789     11.54006407    -11.84234351
  O     13.01907729      8.06977885    -14.84369797
  H     18.45777843      7.64227898    -10.73054925
  H     12.06973002     12.18460877    -12.29700874
  O     14.29992223      8.05162893    -10.52588424
  H     18.94500087      7.46373068    -12.19852225
  H     13.96915104      4.22396352    -14.40010116
  O     19.75037770      8.42315434    -13.57681825
  H     16.42473413     12.07842320    -16.13649512
  H     12.78522569      4.08908541    -13.40950459
  O     11.29231718      5.95069071    -15.39758940
  H     15.44184243     11.15045137    -15.38404703
  H     13.41385269     11.07433314    -14.16884541
  O     17.84289221      8.89663767    -15.44805677
  H     10.69051185      6.28299538    -13.57890156
  H     13.50280920      9.85256222    -15.10316387
  O     15.82253415      4.47198655    -14.53569074
  H     11.06721590      7.22911676    -12.41882982
  H     16.01480340      4.89476902    -11.46447045
  O     18.46093771      9.11462514     -9.45812903
  H     12.39794175      7.40662847    -15.16891305
  H     17.41602445      5.46711187    -11.80771521
  O     16.11631274      8.33725515    -12.54293802
  H     12.78442275      8.23381068    -13.91889774
  H     11.53126984      5.03805342    -11.92556085
  O     12.64581991     11.44035104    -12.45018590
  H     14.68156005      8.59423865     -9.82812406
  H     11.51529905      3.66572525    -11.21448257
  O     13.00841528      4.15597098    -14.34671628
  H     14.90207994      8.14133982    -11.28261568
  H     18.40862324     10.83419493    -12.02255361
  O     13.80554610     10.76339869    -14.99368585
  H     20.55090094      8.19899049    -14.04365446
  H     19.55234536      9.85575103    -12.32695242
  O     16.77520165      4.79308723    -12.05839079
  H     19.07493193      8.60132701    -14.25592821
  H     12.23257917      9.63318004    -12.28015384
  O     12.08856582      4.28663303    -11.65661914
  H     11.91191020      5.26382817    -15.08772804
  H     12.87078443      8.42381171    -11.55381650
  O     19.22620656     10.46732649    -11.65533089
  H     10.79812692      5.57303546    -16.11926262
  H     15.75335112      9.93596874     -7.91059047
  O     12.21869432      8.66983407    -12.22558480
  H     17.42527708      9.75958983    -15.55297308
  H     16.71414941      9.54856025     -9.05330411
  O     15.79692800      9.79124658     -8.85328092
  H     17.11673727      8.25754702    -15.43654496
  H     16.50936581     10.09812974    -12.70090395
  O     16.75025531     11.03665274    -12.75030321
  H     16.18529724      4.55330329    -13.63378257
  H     16.68520355     11.28644226    -13.67936811
          69
 Energy    -249.81432634484912     
  O     14.68956215      4.47339799    -10.24869356
  H     14.10998274      4.31088347    -11.00164200
  H     12.64495852     11.33094894    -13.79017946
  O     14.61452312      8.35574479    -16.68884442
  H     15.59135102      4.45948928    -10.59935392
  H     12.22497843      7.57704805    -14.21945253
  O     17.77987142      9.45534615    -14.22967411
  H     14.21535826      8.26514476    -17.55050997
  H     13.55331545      8.30242876    -14.01117960
  O     14.84444230     11.64740674    -11.48240415
  H     13.89626955      8.27269975    -16.03801411
  H     16.13573249     10.44501231    -11.55788171
  O     11.59294706      6.45543001    -12.89106258
  H     17.46895378      8.62320601    -14.61440516
  H     17.12207943      9.71555857    -12.54657431
  O     19.76810014      4.79926892    -12.46663883
  H     18.71659124      9.33546176    -14.02900240
  H     14.01501886      7.95894643    -11.95753640
  O     13.33463525      4.17394967    -12.78471069
  H     14.00841499     11.32516420    -11.12589887
  H     15.36004677      8.65420682    -12.33133508
  O     17.20987366      7.46660112    -10.12943218
  H     14.63799777     11.99687446    -12.35889368
  H     21.20614087      9.18413879    -13.42655303
  O     12.23756818     10.58935638    -10.80020569
  H     11.81811718      6.89974054    -12.06313432
  H     20.21130236      8.32520090    -12.60906647
  O     19.49559384      6.29758250    -14.71504319
  H     12.06147843      5.61253552    -12.86088405
  H     16.18494375      5.33242739    -12.84666761
  O     14.12821231     12.42158791    -14.13314448
  H     20.43329928      4.12823758    -12.59178054
  H     15.21849871      6.48787153    -13.21761905
  O     11.97660442     10.70030302    -13.49105188
  H     19.66772911      5.26064005    -13.31875629
  H     16.50069264     10.44602804    -15.13133245
  O     12.81315078      8.22375286    -14.63452605
  H     13.24054291      3.35180401    -13.26001736
  H     15.33077981     10.01871396    -16.04175050
  O     16.70417329      9.66885048    -11.67635240
  H     14.10312331      4.63056203    -13.16633550
  H     16.16350901      7.47030404    -16.01272638
  O     14.67783563      8.05571048    -12.65531905
  H     16.41769066      7.32775418     -9.59823017
  H     16.42839687      6.49024286    -14.84887628
  O     20.36566508      8.73749805    -13.47804683
  H     17.06205171      8.28427924    -10.63014583
  H     19.05784744      7.44715182    -10.67504631
  O     15.55728414      5.62932110    -13.52047519
  H     12.06761232     10.62006533    -11.76008470
  H     19.92513029      6.45255034    -11.47757018
  O     15.70357895     10.77206648    -15.57009129
  H     11.55906868     11.11542508    -10.38512220
  H     17.24166007      5.85278206    -10.97697839
  O     16.86439152      7.09712197    -15.46501595
  H     18.64499280      6.50596468    -15.12111085
  H     18.08684259      4.78111127    -11.72393413
  O     19.87689059      7.36954335    -11.17933876
  H     19.87648554      7.14102297    -14.43929445
  H     14.60084601      6.64511548     -7.93994494
  O     17.20048461      4.98178664    -11.40031879
  H     14.15264236     13.28993922    -14.52576514
  H     14.63956212      5.93955383     -9.31642783
  O     14.68966732      6.80794344     -8.87577078
  H     14.70395253     11.85303972    -14.67522365
  H     12.56428379      8.79404913    -10.57369020
  O     12.76520534      7.85278812    -10.67118016
  H     12.13714898      9.88376658    -13.97933409
  H     13.34675087      7.58526220     -9.94863156
          69
 Energy    -249.81366271047997     
  O     19.56473617     10.05016021    -14.30251663
  H     19.92007736      9.15384222    -14.41034332
  H     18.81185395      3.73147035    -13.50157300
  O     20.30780040      7.40624530    -14.26493417
  H     18.75217021     10.06933894    -14.81874846
  H     16.19738411      9.58276076    -12.83750021
  O     16.52338081      7.27132064     -9.64418611
  H     20.62210352      7.20245967    -13.37074213
  H     16.02147941      9.83940211    -14.35771475
  O     13.78392801     10.63373398    -11.55432001
  H     20.38685178      6.63583955    -14.83893616
  H     18.57709702      7.01478388    -13.75007219
  O     17.15204293      9.73325794    -15.84239272
  H     15.98098118      6.68451433    -10.19116211
  H     17.55017919      7.54963463    -12.73286249
  O     12.04720486      8.41163626    -12.03331531
  H     15.90435744      7.93307637     -9.30038687
  H     14.58910582      6.76753164    -14.20049158
  O     19.05690921      6.14876208     -9.57323413
  H     14.38022764     10.44003550    -12.29586286
  H     14.61443169      8.19301542    -13.59583910
  O     14.62450336      5.92473074    -11.18253333
  H     13.64162774     11.57742057    -11.56080478
  H     20.43362190      4.89450940    -16.73232759
  O     18.42566681      4.55201492    -11.83379804
  H     17.02225910     10.25100253    -16.63351644
  H     19.49040031      4.65626855    -15.53188495
  O     15.82567734      3.51189064    -11.95363913
  H     17.35773074      8.82970926    -16.14033113
  H     14.29488945      9.62639772     -9.92956471
  O     15.94927478      3.01396797    -14.59856547
  H     12.60577625      7.96571327    -12.68548163
  H     13.73355312      8.37810348     -9.23293787
  O     18.75840761      3.51701305    -14.44202742
  H     12.48006426      9.25901675    -11.86849608
  H     20.26447741      6.95067749    -10.87489267
  O     15.54245898      9.79945602    -13.52131513
  H     19.32287569      5.94584954     -8.67943629
  H     20.59003678      8.32743700    -11.47775767
  O     17.74407440      6.80079922    -13.30889991
  H     18.17473704      6.55068830     -9.51382583
  H     20.30142538     10.90944268    -11.32156529
  O     14.15167621      7.34520323    -13.56073078
  H     13.86908273      6.14677478    -10.62374053
  H     19.79327254     10.19017918    -12.59680980
  O     19.88707748      5.34517016    -16.09420156
  H     14.49846236      6.40226669    -12.01446206
  H     15.83119714      4.82440742    -15.00067087
  O     14.45694410      9.01768476     -9.19941566
  H     18.16438562      5.32834587    -12.35394499
  H     16.52399166      6.09670703    -14.42795172
  O     20.79532212      7.38646237    -11.55091445
  H     18.74725776      4.90322004    -10.99726117
  H     16.94605281      6.65782159    -16.28758889
  O     19.87069575     10.11616112    -11.62681517
  H     15.30981103      4.26875907    -11.64635153
  H     18.45488580      6.62950932    -16.57971556
  O     15.85710419      5.78654464    -15.06308377
  H     16.74971128      3.74807244    -11.79297318
  H     11.65672460      6.71341516     -9.32557124
  O     17.66846990      7.17915141    -16.66559785
  H     15.44376643      2.24859574    -14.85651177
  H     12.18753300      7.50122291    -10.54905222
  O     12.45539404      7.02390170     -9.74260159
  H     15.83015002      3.12145607    -13.63655182
  H     18.19099802      9.41043743    -11.51126778
  O     17.32539602      9.00481503    -11.64706419
  H     17.84577687      3.24313956    -14.59453248
  H     17.09129060      8.48880407    -10.86551498
          69
 Energy    -249.81314137197222     
  O     -8.31368829      0.66706288      5.91079332
  H     -8.74866663      1.18011223      6.60639605
  H     -5.21249929      1.53560696      1.06056924
  O     -4.93471975      1.36975264      4.60147409
  H     -8.00610924      1.30631450      5.24694075
  H     -9.57133301     -0.22885605      3.19278120
  O     -6.63471429      2.87730000      8.01016156
  H     -5.05967074      0.94833818      5.45927887
  H     -9.52592427      0.17277854      4.67788123
  O    -12.41615788      0.22883652      5.56682645
  H     -5.76604141      1.82972642      4.40134126
  H    -11.95804736      4.03700420      6.56363228
  O     -7.41570450      2.49138551      4.07753303
  H     -7.58930669      2.74844809      8.08113474
  H    -12.62366939      2.91353185      7.37783283
  O     -5.85262228      0.26689996      7.05245161
  H     -6.26247476      2.01324560      7.79934295
  H    -13.44471060      3.02535832      5.29002141
  O     -9.43434646      2.35793843      7.78375800
  H    -11.68754125      0.03185703      4.96427845
  H    -14.49554248      2.85318326      4.16502736
  O    -11.98052402      1.20723472      8.07346817
  H    -12.94444320      0.90666416      5.12693082
  H     -8.55602473      2.89793260      1.23830985
  O     -7.80347914      5.11980241      5.01595334
  H     -7.54083414      3.40632504      4.35821705
  H     -7.12544160      2.32584065      0.90352921
  O     -5.37876894      4.74222210      2.07572592
  H     -7.61900952      2.43027734      3.13687504
  H     -8.40002940     -1.02416109      1.09734099
  O    -10.97056113      2.79154700      3.54366620
  H     -6.74186673      0.24837949      6.65816431
  H     -8.20607519      0.42419964      1.60299344
  O     -5.29871462      2.34050862      0.51939209
  H     -5.73071206     -0.56672565      7.49946340
  H     -9.41210055      4.64782757      5.63557241
  O    -10.11903403      0.09926121      3.91525671
  H    -10.25791823      1.93429798      8.05567244
  H    -10.46386370      3.67782517      5.05200059
  O    -12.81819686      3.66368158      6.80275204
  H     -9.68447876      3.04445202      7.14616956
  H     -6.78785208      5.67895842      2.27226207
  O    -13.63011245      2.57178514      4.44787392
  H    -12.44341417      0.67388048      8.71397841
  H     -7.51082697      7.03483598      2.07409446
  O     -7.97804460      2.12376016      1.30750896
  H    -12.11911729      0.78617862      7.20608016
  H     -6.22089913     -0.23457478      2.18450636
  O     -8.23423448     -0.50861074      1.88357265
  H     -7.69674024      5.62366549      4.19819632
  H     -5.09313225      0.43743625      3.00829627
  O    -10.22290182      4.16776444      5.85137367
  H     -7.02045123      5.23629785      5.56859410
  H     -4.19359959      3.12023621      4.53199336
  O     -7.60390304      6.17503605      2.47447763
  H     -5.26981094      3.96846773      1.51337041
  H     -4.53880666      4.43239999      5.25749202
  O     -5.33289998      0.13223146      2.12160838
  H     -4.88348741      4.56309162      2.88903497
  H    -10.11803787      3.90445562      2.26764177
  O     -4.13160708      4.08115791      4.45698820
  H    -11.92331522      2.75090587      3.69853301
  H     -9.03787448      4.98218457      1.92430214
  O     -9.58296378      4.27804433      1.55371360
  H    -10.64169628      1.88449478      3.59896813
  H     -5.94916602      4.27112908      7.22547452
  O     -5.60666812      5.03862020      6.73310986
  H     -4.76458377      2.20731292     -0.25896111
  H     -5.24874795      5.64125986      7.37965148
          69
 Energy    -249.81310333142409     
  O     16.28566678     11.81895597    -12.13312199
  H     16.99676420     11.18748424    -11.97629948
  H     12.78141270     12.01498569    -10.24819281
  O     17.58229454      7.35310274     -8.25550837
  H     16.09652202     12.19714421    -11.26548134
  H     15.34587666      8.80179267    -15.75744306
  O     16.21289271      5.93412964    -11.35911128
  H     18.14179359      7.19745367     -9.02534875
  H     15.18950534      8.70721010    -14.22137209
  O     12.96069769      4.86317888     -9.79490659
  H     17.36470244      8.29422215     -8.27621112
  H     19.46542826      6.34645151    -11.14079019
  O     17.84160156      9.60002240    -11.21687406
  H     15.85037515      6.07346652    -10.47334813
  H     17.92540714      6.47090975    -11.11652801
  O     15.81027471     12.62650092     -9.41415479
  H     15.51526224      5.50001104    -11.87331489
  H     15.98017516      6.51307691     -8.46831093
  O     10.09391703      9.38369644     -9.45063415
  H     13.72108373      5.29170947     -9.36860073
  H     14.60280755      7.15958840     -8.67992730
  O     16.53496346      9.98804557     -8.78325557
  H     12.83337293      4.02882989     -9.34939291
  H     11.30937065     11.06169884    -12.05719865
  O     13.29823006      8.78597867    -11.37830695
  H     18.33299111      8.77254969    -11.15141296
  H     12.76158407     11.41561955    -12.59253739
  O     11.29466184      7.04485779    -10.42463529
  H     17.42859460      9.74153163    -10.35111624
  H     10.30068850      7.31068378    -12.03130170
  O     12.70292090      7.33922057    -13.80740286
  H     16.01767741     13.49934020     -9.09174454
  H     10.82080969      7.51912588    -13.45621165
  O     13.14534653     12.26941045     -9.38825762
  H     14.84007767     12.53743489     -9.38169917
  H      8.79480154     10.62727978    -12.53286964
  O     14.71380203      8.89570965    -15.04902434
  H     10.38149365      8.48591763     -9.66607203
  H      9.71628733      9.38572946    -12.49850528
  O     18.75192321      6.91830108    -10.86885971
  H      9.84492745      9.78926472    -10.28865463
  H     11.43884450     10.51907710     -6.82261517
  O     15.08748076      6.32935588     -8.79600395
  H     15.65303491      9.60184388     -8.69073009
  H     11.16941067     10.06012954     -8.27631573
  O     12.21780273     11.26033770    -11.80264372
  H     16.39198498     10.93818370     -8.88755801
  H     13.44177342      4.92755928    -11.71758095
  O     10.06882979      7.70873213    -12.88133887
  H     12.93412874      9.67271606    -11.52220193
  H     13.44221767      5.72066692    -13.04995433
  O      9.60777396     10.29316820    -12.16328832
  H     14.18281555      8.74289569    -11.76763490
  H     14.86548553     11.60227552    -13.26752881
  O     11.85863832     10.38186916     -7.66726146
  H     12.00068652      7.63469921    -10.72681421
  H     14.23592867     10.66884539    -14.33360192
  O     13.92683643      5.05906808    -12.54093551
  H     11.73123906      6.23470225    -10.13842476
  H     13.74185963      8.90088797     -9.61400586
  O     14.05363616     11.42531423    -13.76790071
  H     12.79766300      7.83802127    -12.98493512
  H     13.28688529      9.33343346     -8.19921841
  O     13.97228419      8.85001748     -8.67624285
  H     13.27043760      7.79506259    -14.44108278
  H     16.45935308      8.93142714    -12.16845621
  O     15.76417448      8.38875544    -12.56268237
  H     12.68870839     11.72956481     -8.73384183
  H     15.89686620      7.49051854    -12.23238481
          69
 Energy    -249.81262647671366     
  O     11.93040303     11.10929734    -13.09185965
  H     12.13413870     10.66896135    -13.92759722
  H     16.23238321     13.12601935    -15.05806571
  O     15.20326265      6.90575749    -14.03575747
  H     12.59138260     11.80069510    -12.96990151
  H     15.94753503      9.94352750    -14.90503891
  O     18.04014160      9.68218834    -11.91880551
  H     14.37973368      6.69822935    -14.49252191
  H     15.46515601     10.11682844    -13.41278996
  O     18.07051587     12.73138255    -15.39224260
  H     15.27972962      7.87392301    -14.08179913
  H     11.52865838     10.07526194    -11.79048241
  O     12.52292451      6.83354238    -15.02755964
  H     17.21344283     10.17133965    -11.80052013
  H     10.57413228      9.74722308    -10.61604845
  O     16.12856757      8.02621295     -8.68490631
  H     18.33079473      9.38932314    -11.04627241
  H     18.70921009      6.92537771    -10.42208022
  O     14.30003528      6.46474988    -11.44760456
  H     18.66629214     13.37315484    -15.77011083
  H     18.38595845      6.41880657    -11.84460120
  O     15.56475699     10.85941542    -11.75019955
  H     18.60786774     12.14883003    -14.82669662
  H     11.49165000      7.79139010    -11.99018422
  O     16.17859631      5.33467286     -9.72170075
  H     11.98165218      6.21470146    -15.51035062
  H     12.53019511      6.65603782    -11.99284781
  O     16.96913321     10.32692053    -16.38148335
  H     12.15850992      6.87844123    -14.12476695
  H     19.04268080     10.52942675    -13.20500314
  O     19.05762826      8.52381129    -15.66277221
  H     16.04792515      7.08732531     -8.89479601
  H     19.50944307     10.09996949    -14.60443545
  O     15.27533809     13.17877618    -14.96065000
  H     15.38041908      8.46338252     -9.11113450
  H     17.01208887      7.06222955    -13.67457957
  O     15.36417472      9.59634829    -14.21814097
  H     14.90485603      5.96402282    -10.88756232
  H     17.85883376      8.15747571    -12.93818655
  O     11.36871060      9.45603759    -11.05437084
  H     14.69868049      6.54564197    -12.32546696
  H     19.20289583      8.85186697     -8.69304975
  O     18.47271032      6.13594761    -10.92558146
  H     15.05632949     11.65993420    -11.93044523
  H     17.76520913      8.44455639     -9.10213683
  O     11.73011629      6.97040964    -12.43659393
  H     15.01099342     10.26132382    -11.22689983
  H     13.71374656     10.85690470    -16.58409197
  O     19.46056729     10.85983515    -14.01250175
  H     16.28472502      4.49094010     -9.29116503
  H     15.19618314     10.95293794    -17.00337017
  O     17.91215240      7.33578684    -13.45152302
  H     17.02219425      5.53510081    -10.16525584
  H     13.11700445      9.21920586    -10.45562177
  O     18.67076734      8.58033659     -9.43565514
  H     17.36410066     11.18375112    -16.16869332
  H     14.16581145      8.12902900    -10.76081680
  O     14.37231383     11.45423085    -16.96133937
  H     17.66829096      9.66918592    -16.28268371
  H     14.45769441     13.11484646    -13.47577642
  O     14.05312347      9.00411851    -10.36021808
  H     18.69579333      8.01148054    -14.92069807
  H     13.82903796     13.88801984    -12.29103311
  O     14.01203462     13.01022359    -12.61409656
  H     19.64843074      7.94212132    -16.13433547
  H     13.72161643      9.69543609    -14.91708735
  O     12.84403124      9.66801271    -15.33062535
  H     14.89373898     12.67745078    -15.69582668
  H     12.61167775      8.73364105    -15.36824001
          69
 Energy    -249.81191015532190     
  O     -1.97915263      4.10797618      4.87679538
  H     -1.72348436      4.07243140      3.94321744
  H     -2.68461152     -3.55337133      3.05315789
  O      0.53857141      2.19141428      1.00368552
  H     -1.59854541      3.31981959      5.28110305
  H     -0.32097839      3.06141381     -2.34769953
  O     -1.55591763     -0.22171338      3.84128620
  H      0.29751887      2.32989193      0.07958992
  H     -1.37445654      3.12852481     -1.21530200
  O     -4.18516617      0.54992892      0.08037567
  H      0.47100961      1.24031335      1.15733108
  H     -5.01153725      4.71306731      5.51687935
  O     -2.04132436     -2.71360181     -1.02589552
  H     -2.13558332      0.41709196      3.39489459
  H     -3.71750095      4.09765306      4.94106756
  O     -0.17400467     -0.52937198      1.42303557
  H     -2.10988875     -1.00169087      3.97645275
  H     -2.24074576      4.01315145      0.57000018
  O     -5.21802818     -0.86361870      5.82895974
  H     -4.56400197      1.41738321     -0.10831322
  H     -3.52886517      3.80022955     -0.25074876
  O     -5.95837532      0.41815057      3.39839745
  H     -3.34233945      0.45072114     -0.38477379
  H     -5.59577123      3.48266876      3.41592462
  O     -1.19392357      1.53842665      5.93403622
  H     -1.29677440     -2.96712446     -0.46598124
  H     -6.24178966      2.17773016      2.91418269
  O     -1.65749189      0.07945362     -0.87751853
  H     -1.95622420     -1.76048210     -1.15631355
  H     -0.74063622      3.10952333      1.88507307
  O     -5.03226851     -1.55806243      1.61799787
  H     -0.02062608     -1.47243855      1.28419558
  H     -2.19451786      2.82575060      2.36918649
  O     -2.31322514     -4.11717269      2.36204176
  H     -0.57405124     -0.44360201      2.29875517
  H     -6.02229877      3.49467413     -0.45067718
  O     -0.66877208      2.57910943     -1.60302469
  H     -4.77732312     -0.02792252      6.07039059
  H     -5.54605205      3.17129355      0.98165032
  O     -4.68030092      3.97091107      5.01673423
  H     -5.74281833     -1.12703424      6.57974320
  H     -4.03315813     -1.92275583      3.13384746
  O     -2.58956127      3.99887668     -0.33272035
  H     -5.81863125     -0.28668774      2.75178319
  H     -4.10121998     -1.84437387      4.67609519
  O     -6.05408651      3.09292975      2.66138601
  H     -5.84573664      0.00907890      4.26428194
  H     -3.05810842      1.52545142      6.27343472
  O     -1.54712608      3.53005939      2.21928155
  H     -0.43188627      1.34033523      6.47266030
  H     -4.33162997      2.31961213      5.90337908
  O     -5.28793841      3.13896462      0.04327823
  H     -1.20727568      0.88224094      5.21805262
  H     -4.60197985     -4.47525162     -0.36275940
  O     -3.55383068     -2.15337772      3.94393814
  H     -1.15773511     -0.10150264     -0.06756103
  H     -3.46428076     -3.42716123     -0.30939897
  O     -4.02231344      1.49170165      6.29004509
  H     -1.29067290      0.88717507     -1.25865209
  H     -0.84392450     -3.62729412      1.55623338
  O     -4.18424040     -3.83443262      0.20600931
  H     -4.88997560     -2.38404432      1.14014839
  H      0.57599124     -3.97289131      1.04558442
  O     -0.10440597     -3.30615089      1.00928062
  H     -4.76287655     -0.84901242      1.01422747
  H     -3.50024648      1.11662052      1.67239126
  O     -3.32461083      1.40334710      2.57873630
  H     -2.99458097     -4.17639342      1.68036366
  H     -4.16567449      1.31113514      3.03910022
          69
 Energy    -249.81185086889101     
  O     19.90460574      9.57249200    -12.89072021
  H     20.24944666      8.68560369    -13.06201525
  H     18.47591978      3.40241021    -14.31618652
  O     15.14765186      7.78003583     -9.75750348
  H     19.30857273      9.76934984    -13.62276052
  H     15.97080915      9.74995751    -13.01072685
  O     13.21898840     10.82682988    -12.81552622
  H     14.85177959      7.08106550    -10.35725203
  H     16.40312866     10.04357072    -14.45782412
  O     18.15063580      9.93992427    -15.18606054
  H     14.42145592      8.42147253     -9.73576683
  H     17.32309832      7.64882553    -12.37450445
  O     11.80972060      8.47612082    -13.65680583
  H     14.06030598     10.61889855    -13.25296711
  H     17.65364541      6.16761256    -12.02585990
  O     17.94961896      4.98783549    -10.65642327
  H     13.07645267     11.76301662    -12.93407568
  H     14.96601178      6.84113485    -14.63950204
  O     14.02803808      6.12580873    -11.73608983
  H     18.20857787      9.06010733    -15.60006617
  H     14.79779134      8.30982681    -14.17008428
  O     20.49109570      4.53293272    -11.81123939
  H     18.44377039     10.56575896    -15.84422863
  H     16.91765205      7.42877974     -9.12203144
  O     15.71550097      3.87489247    -11.87741486
  H     12.12159716      9.36111924    -13.42998609
  H     18.33664677      7.98251679     -9.39906762
  O     16.62267219      3.12336072    -14.29197645
  H     12.58824059      8.02205701    -14.01010326
  H     21.09638297      5.30379233    -16.45707252
  O     20.34859659      6.84426438    -13.32638346
  H     17.98576109      5.69670921     -9.99531773
  H     20.04256294      4.87699797    -15.40750257
  O     19.41241667      3.63334024    -14.36029469
  H     18.85258804      4.74605492    -10.89304750
  H     13.08238943      9.95055013    -11.05333113
  O     15.62530312      9.96066682    -13.89504001
  H     14.19275884      6.57652791    -12.57604724
  H     12.37345743      8.70353462    -10.49974299
  O     17.64103902      6.81629565    -12.74314642
  H     13.11308933      6.32732883    -11.50257519
  H     19.51867264     10.29911286     -9.80688586
  O     14.35368168      7.45265971    -14.20932803
  H     21.34757413      4.34051214    -11.43757180
  H     19.47140575      9.62055198    -11.19571225
  O     17.85930498      7.21174538     -9.07297600
  H     20.56991672      5.38597948    -12.27013417
  H     16.85855390      6.17500588    -14.21091495
  O     20.43154120      5.64468919    -15.86524198
  H     15.05478967      4.57543407    -11.80174312
  H     16.42593880      4.87835025    -14.93283337
  O     12.98788142      9.40964878    -10.26082873
  H     16.46226127      4.14680545    -11.32597701
  H     19.06618872      6.90023844    -16.27780563
  O     19.09779158      9.59719375    -10.29638364
  H     16.18405501      2.32553777    -14.57387477
  H     17.55782293      6.90136226    -16.00702512
  O     16.42740818      5.83848591    -15.01420018
  H     16.26832800      3.34286125    -13.41029342
  H     10.55597998      6.89206139    -11.14563715
  O     18.28756857      7.46871574    -16.29179931
  H     19.38730892      6.87505156    -13.18861514
  H     11.45960465      7.62829146    -12.16541056
  O     11.44610931      7.20052643    -11.28998741
  H     20.49044310      6.53214696    -14.22919327
  H     17.46277227      9.46417119    -11.08707489
  O     16.66295793      9.18646489    -11.54993643
  H     19.71755622      3.74937123    -13.45352028
  H     16.09419565      8.74259104    -10.90551366
          69
 Energy    -249.81177166814251     
  O     15.06946244     10.86130486    -14.39794425
  H     14.89448207     11.68079472    -14.87723816
  H     14.10413839     13.80164384    -16.15647850
  O     18.72105654     16.14075337    -15.72594143
  H     15.79845251     10.43000888    -14.86241512
  H     19.00259728     12.28455318     -9.39523601
  O     17.40491769      9.80058814    -15.71389993
  H     18.73399176     16.92743193    -16.26432455
  H     18.08052866     11.06223068     -9.52272491
  O     20.60613775     12.72185516    -10.23510830
  H     18.90542361     15.38697404    -16.31938001
  H     23.61332076     13.73176853    -13.59700208
  O     16.76269442     15.42328174    -11.70824846
  H     18.21044825     10.05586289    -15.23523665
  H     22.58084459     14.84923362    -13.35858978
  O     17.94522419      9.48399278    -10.66862208
  H     17.58269006      8.95381723    -16.11633679
  H     20.49475869     11.17339862    -11.21635184
  O     15.85707484     13.21094504    -10.10009222
  H     20.22004720     13.41509415    -10.79278552
  H     19.64805224      9.89233674    -11.34867554
  O     17.11437542     12.24441099    -17.20370051
  H     21.55549505     12.88803926    -10.20416719
  H     15.58400926     10.99236853    -12.72356513
  O     21.20787081     12.68214022    -15.54835397
  H     17.72066531     15.30460431    -11.65193758
  H     15.78956330     11.80218014    -11.36917761
  O     23.35838471     13.14682960    -10.58545147
  H     16.38594425     14.73459061    -11.14716599
  H     18.53384189     13.34902129    -17.26366930
  O     19.54813872     10.81989077    -14.30170782
  H     17.26878664      9.98004158    -11.16221920
  H     20.00564341     13.47619538    -16.78370122
  O     14.85484334     13.33348390    -15.80014702
  H     17.54438861      8.65914665    -10.40682071
  H     24.56831823     11.71858987    -14.96602057
  O     18.10976594     11.97019956     -9.19936077
  H     16.67348011     12.83500334     -9.72300257
  H     23.56960316     11.55759240    -13.79419478
  O     23.36293163     14.42956713    -12.97832451
  H     15.26641722     13.36852229     -9.36770256
  H     20.99403775     14.28230264    -14.66041468
  O     20.42926833     10.33647341    -11.70015113
  H     16.30281856     12.61460058    -16.83718016
  H     20.23699766     15.62888815    -14.67965947
  O     16.11662130     11.07812052    -11.91742926
  H     17.21727783     11.37947049    -16.79079749
  H     22.27630280     10.47847303    -12.08789064
  O     19.27435500     13.96752961    -17.17707832
  H     20.66776698     11.97310820    -15.17319514
  H     23.31044820     11.50997490    -11.59733280
  O     23.77442719     12.08564265    -14.58690021
  H     22.12652751     12.46067356    -15.35214428
  H     17.24397745     12.16772220    -12.89336382
  O     20.90969674     15.13126151    -14.20050861
  H     23.36486005     13.68366990    -11.39857213
  H     17.36899045     13.41035032    -13.83915914
  O     23.16078541     10.82473112    -12.26130194
  H     24.06070939     13.47701683    -10.03189930
  H     16.51087022     15.23881536    -13.46888884
  O     17.86359911     12.70746967    -13.40031466
  H     18.95286222     11.55082548    -14.06253046
  H     17.25049965     15.43957440    -14.83740211
  O     16.53318556     14.96416731    -14.39872180
  H     19.94497786     10.53475514    -13.46887454
  H     18.87096594     13.80277281    -12.39323104
  O     19.41756293     14.47449715    -11.95687372
  H     15.38285958     13.98412640    -15.30665493
  H     20.00431709     14.81228389    -12.64575783
          69
 Energy    -249.81051273668422     
  O     16.65568597     10.60245196    -15.21834108
  H     16.39281841     11.42783394    -14.79113152
  H     18.32981583      6.61676790    -14.84475381
  O     17.12138435      9.03011093    -13.00164850
  H     15.84657284     10.19130763    -15.55513482
  H     14.52168940      7.73903466    -11.76341340
  O     15.64795418     12.78092751    -13.77054316
  H     17.05344441      9.62387466    -13.76080582
  H     15.37649808      8.62855849    -12.70800061
  O     14.72416417      6.51591580    -10.41212347
  H     17.44158933      8.17979416    -13.33246212
  H     14.17540425      8.16607839     -9.44735726
  O     14.27980286      9.46506026    -16.23644046
  H     15.89827344     13.70064225    -13.74513317
  H     15.19431138      9.30516675     -9.54110769
  O     13.26388053     11.56361839    -14.81310804
  H     15.61293047     12.47610846    -12.84642035
  H     14.73917741      3.52520144    -12.31547747
  O     16.46679745      5.84702491    -17.26430375
  H     15.60781649      6.60846712    -10.02972383
  H     15.17440139      4.71236404    -13.19766902
  O     10.82684118      8.47579783    -14.11406181
  H     14.75712978      5.74127199    -10.98750524
  H     12.40530202     10.62681943    -11.67713908
  O     17.80230843      5.24683115    -11.59714928
  H     13.92277474      8.68925658    -15.78388601
  H     13.14839623      9.55260001    -12.49357744
  O     13.26677634      7.33613059    -14.74852438
  H     13.83382698     10.23956293    -15.86150221
  H     17.80406608      6.51804719     -8.69509979
  O     15.29016993      5.47227805    -14.81927949
  H     14.00206701     12.09730204    -14.49535017
  H     17.66049874      6.30207268    -10.22058900
  O     17.78598196      6.56950225    -14.04855126
  H     12.88308558     11.15314028    -14.02498001
  H     19.95555779      6.67342502    -16.86116124
  O     14.47736848      8.32683225    -12.52791283
  H     16.11596589      6.63372655    -17.70001815
  H     18.80434974      7.70459166    -16.75977557
  O     14.31028197      9.08975589     -9.21077471
  H     17.40097119      6.03304959    -17.11002999
  H     17.20100667      8.72963700     -9.90124446
  O     15.14319052      4.38908510    -12.28171627
  H     10.15120529      8.97007067    -14.57251673
  H     17.05769654      9.43245127    -11.25519931
  O     12.39338101     10.16006880    -12.52034012
  H     11.24278066      9.10271679    -13.50115147
  H     15.07674195      8.79463432    -17.66349084
  O     17.40002545      6.87880352     -9.48000837
  H     16.96868096      4.78563789    -11.74960629
  H     15.17005370      8.55885757    -19.18749378
  O     19.07985585      6.80405856    -16.50885892
  H     17.99227536      5.69417681    -12.43333345
  H     14.62610358     11.79741880    -10.80459033
  O     16.89527066      9.55071290    -10.30635213
  H     12.33601842      7.57374405    -14.64148885
  H     16.05608178     11.21764893    -10.81906478
  O     15.60695038      8.37174578    -18.36051260
  H     13.71387721      7.64493709    -13.94335840
  H     17.75075872      9.80141579    -16.51890526
  O     15.49629026     11.90008646    -11.20793627
  H     14.51388105      6.04938188    -14.85431232
  H     17.30498573      8.98258292    -17.74214171
  O     18.07867056      9.21322081    -17.21175925
  H     15.65664254      5.45138780    -15.71595487
  H     12.52585641     11.72520236     -9.27912558
  O     12.94979922     11.28414836    -10.01000945
  H     16.91948147      6.23329509    -14.31633867
  H     13.35625213     10.47346576     -9.65225203
          69
 Energy    -249.81045745478923     
  O     13.74257806     13.30491719    -11.69930805
  H     14.29595049     12.99238165    -10.97299867
  H     17.18083333      5.38665982    -14.89846433
  O     18.17954658      5.59609041    -11.80568614
  H     13.15690322     12.56501871    -11.90473089
  H     18.99197109     10.83764445    -14.87736981
  O     18.03522389      9.86052984    -12.04801806
  H     18.88625931      5.92842133    -12.37234751
  H     18.07365465     11.51975756    -15.90500349
  O     12.82219580     10.70798976    -12.51172815
  H     17.82002362      6.35171889    -11.32256780
  H     12.40458690     10.50624875    -14.24340651
  O     14.69706066      6.92149130    -12.54040170
  H     17.67020897      9.10241448    -11.57097139
  H     11.51929683     10.27668091    -15.49033373
  O     13.05882089      8.54019904    -10.84880771
  H     18.48925682      9.53149360    -12.83493607
  H     16.49701685     10.46915446    -12.70728596
  O     16.17511466      4.68737385    -13.39273722
  H     13.77362450     10.73754312    -12.68503720
  H     15.64499157     11.60492283    -13.39010145
  O     15.39644623     13.32505960    -13.91901128
  H     12.71056336      9.97103365    -11.89271753
  H     14.82281457     12.55374571    -15.48053272
  O     16.97643876      8.36891009    -16.12759613
  H     15.07231032      6.08453317    -12.84132665
  H     13.81678583     11.47345450    -15.94930162
  O     16.70282616      7.79111149    -10.79677108
  H     14.63033311      7.48983075    -13.32032517
  H     15.08304039      9.35940377     -8.02161901
  O     16.88136495     10.94020874    -17.27338046
  H     13.66337004      8.74358679    -10.12556751
  H     15.30300579     10.18497578     -9.30962971
  O     17.86434135      5.76078374    -15.46763752
  H     13.50034980      7.86434391    -11.37965806
  H     19.29119929      6.08835682    -14.51233628
  O     18.63841310     11.69528097    -15.14266529
  H     16.01762423      3.75283081    -13.28583145
  H     20.77950320      5.88885113    -14.12995399
  O     12.42586612     10.34152895    -15.20168031
  H     16.90380997      4.92164116    -12.78876352
  H     18.70744083     14.49909599    -13.68649695
  O     15.60731997     10.72573916    -12.98816703
  H     16.28612596     13.65024747    -13.73112680
  H     18.36246416     13.04167308    -14.07508217
  O     14.61173961     11.95143113    -16.20824870
  H     14.82423518     13.51202554    -13.15994089
  H     18.28126332     11.52751682    -11.24110764
  O     15.14314969      9.28798716     -8.97095504
  H     16.99663022      9.17261159    -16.66235035
  H     18.17762181     12.98542608    -11.71310680
  O     19.99353582      6.37768234    -13.90063918
  H     16.13192768      8.39263296    -15.65523092
  H     18.38395510      8.75494383    -15.00611336
  O     18.12371079     13.77420789    -13.47817618
  H     16.25662156      8.21870068    -10.05596288
  H     19.58356370      8.16648463    -14.22648501
  O     18.13341482     12.43093002    -10.92536284
  H     16.00581250      7.50384565    -11.40522405
  H     15.44719746     11.33217036    -11.12445046
  O     19.12030950      8.98985985    -14.42299048
  H     16.96215587     11.25068261    -18.17143606
  H     16.49249250     12.06031274    -10.28145922
  O     15.60007144     11.68296421    -10.23825573
  H     16.04126592     11.29381716    -16.92932097
  H     15.07980118      9.41936573    -14.11267156
  O     14.67453361      8.72269579    -14.65210599
  H     17.50869674      6.58044019    -15.83576641
  H     13.85301498      9.09756472    -14.99006409
          69
 Energy    -249.81039722283057     
  O     -0.59078854     11.66248694      1.29111974
  H     -1.55259532     11.59753943      1.27561610
  H      2.88465499      9.74415634      4.55435852
  O      0.03617318     16.26556294     -1.49663016
  H     -0.31664148     11.75701250      0.36306496
  H     -0.06029297      7.90923572     -0.97685732
  O     -0.60278835     10.19655998     -3.27258448
  H     -0.43721047     15.56188137     -1.96299459
  H     -0.10246750      8.38563304      0.48283525
  O     -2.46916111      9.78710696     -1.36938913
  H      0.96083239     16.16661995     -1.75142240
  H      4.10989264     10.08005357      2.25437663
  O      3.12824049     14.12078637      0.12199976
  H      0.02344257      9.47833421     -3.11899058
  H      4.21755457      9.88675016      0.72925874
  O      2.82512916     12.76301544      3.53105275
  H     -1.38263206     10.02980620     -2.71574588
  H      1.43977288     13.11019351     -4.22209479
  O      5.07371633     12.96654090      1.73865557
  H     -1.94947536      9.12822888     -0.88312809
  H      2.31323417     14.15042739     -3.46285211
  O      1.05279413      9.46852908      1.53363707
  H     -2.82388383     10.39606689     -0.71403015
  H      2.95974564     10.28905660     -0.98031546
  O      0.23968628     11.95731122     -1.26760307
  H      2.33542955     14.07469948      0.67566348
  H      2.22056583      9.45851255      0.12853017
  O     -0.32521539     12.48974773     -4.77942373
  H      3.87262024     13.82739007      0.66389298
  H      1.64923806      7.44689966     -2.87386468
  O      0.90894597     13.92631152      1.80766446
  H      2.12266752     13.23532288      3.06517467
  H      1.88132115      8.56888544     -1.83915394
  O      2.80522376     10.04697275      3.65400902
  H      3.63648089     12.94645152      3.04222948
  H     -1.07707524     13.64189067     -3.41971503
  O     -0.65119299      8.02080717     -0.22327452
  H      5.99114325     13.12720916      1.94181361
  H     -0.66381878     13.36132240     -1.97565426
  O      4.65255474     10.29743929      1.48535125
  H      4.98274576     12.00762729      1.59152480
  H     -0.53298993     16.13512666      0.13068411
  O      2.32717105     13.28362157     -3.88666221
  H      0.44821602     10.22514684      1.52896227
  H     -1.15694554     16.76592241      1.39887672
  O      2.86401047      9.40382864     -0.59475836
  H      1.59525257      9.55426775      2.32626698
  H     -2.24548683     14.74477676      0.28268561
  O      1.22599158      8.18793994     -2.44730375
  H      1.19772859     11.98287143     -1.37712444
  H     -2.42200295     14.12708553     -1.11609123
  O     -1.17575954     13.97744030     -2.52267273
  H     -0.09485831     11.28953635     -1.88076259
  H      2.88049878     12.31999804     -2.50107965
  O     -0.88485565     15.93531471      1.01762460
  H     -0.58394801     12.34742179     -5.68638796
  H      3.14343061     12.66953705     -1.00253277
  O     -2.80454047     14.14884026     -0.22886625
  H     -0.43762982     11.63832263     -4.32267718
  H      3.44758279     16.17031401     -2.35157164
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  H      2.90319397     15.13451553     -1.34357787
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  H     -4.17854329     11.60726965      1.09794527
  O     -3.32021057     11.65043537      0.68556826
  H      2.75323880     11.01910790      3.68595732
  H     -3.21266997     12.55970943      0.35281723
          69
 Energy    -249.81029594531299     
  O     -5.52975178      2.51705343      1.70450335
  H     -5.10607803      3.04158327      2.40796748
  H     -1.68101037      3.63815733     -1.66193609
  O     -1.88237849     -3.14426916      0.52931456
  H     -6.44993325      2.43462666      1.93969414
  H     -0.22049137     -1.77586374     -1.90941619
  O      0.14226060      4.06826147     -1.09104084
  H     -0.93781432     -3.32899869      0.59685791
  H      0.73819381     -0.61021795     -1.59085700
  O     -2.34652163      0.57123793     -1.41626508
  H     -2.10699338     -2.60141735      1.29637542
  H     -1.70339604      2.53504973      3.57251400
  O      1.14035064     -0.31625869      5.01051699
  H     -0.04331934      4.41723583     -0.20453444
  H     -1.13200715      3.51056088      4.59766892
  O     -1.31449077      2.24973323      1.82944110
  H      0.62934226      4.74717137     -1.55278662
  H     -3.58169940      5.54309007      1.03420225
  O     -1.71532138      0.07302402      4.98844552
  H     -2.80787717      0.58705206     -0.56484734
  H     -3.44592007      6.94261086      1.68533674
  O     -2.09840241     -2.15866545     -1.99272321
  H     -2.35548396     -0.34373641     -1.72080963
  H     -2.70756798      1.32749650      1.35039569
  O     -2.22054869     -1.24263102      2.60875192
  H      1.62562900     -0.90769705      5.58072910
  H     -4.25577124      1.25099797      1.28533172
  O      0.54638623     -1.42360124      2.55501474
  H      1.01443023     -0.78429938      4.16759199
  H     -3.45991821      3.65751986      3.98131435
  O      1.77651147      2.23072148      3.84532897
  H     -0.46807392      1.79537094      1.72741277
  H     -3.82755034      4.80578001      3.01887912
  O     -2.59035590      3.35814674     -1.81171732
  H     -1.16578088      3.17666576      1.60647220
  H      0.40224833      2.18940097     -1.26930067
  O      0.68164591     -1.57282116     -1.62963804
  H     -0.77333766     -0.04649802      5.15800809
  H     -0.58699475      1.00206042     -1.26945150
  O     -1.83910735      2.86851000      4.47379520
  H     -1.85360430      1.02848635      4.98069039
  H      0.97990937      3.75084735      4.00891001
  O     -3.10616625      6.05271274      1.71841394
  H     -2.57514180     -2.76526206     -2.55246741
  H      0.93888521      5.16457293      4.63519596
  O     -3.45068777      0.75230024      1.10258234
  H     -2.11187006     -2.53323181     -1.09347435
  H     -3.80258509      4.09754242     -0.72187796
  O     -4.19765808      4.05861143      3.50371117
  H     -2.73009593     -0.61801180      2.07480793
  H     -4.84234816      3.78331903      0.39189288
  O      0.35504493      1.22697294     -1.22311098
  H     -2.16908313     -0.86264456      3.49877893
  H      1.00338077      0.13567194      1.73496086
  O      0.45782723      4.57277148      4.06317289
  H     -0.42148703     -1.36753732      2.54694427
  H      0.98784104      1.04372904      0.46268348
  O     -4.36940590      4.49895925     -0.04616163
  H      0.80210139     -2.10363514      1.91962904
  H      1.60664776     -3.92949491      0.27824942
  O      1.15175701      1.03611933      1.41497787
  H      1.71760295      1.91197355      2.93356539
  H      0.97415707     -2.63060774     -0.27797526
  O      1.00660498     -3.22183757      0.49605742
  H      1.60997949      1.45391738      4.39177831
  H     -1.42943739      5.38820632      1.54637046
  O     -0.58904438      4.91629794      1.45552498
  H     -2.57396037      2.39216119     -1.81725778
  H     -0.17438164      4.88789622      2.32827277
          69
 Energy    -249.81028402740429     
  O     11.54932112      7.82312507    -15.33361412
  H     11.58897054      7.16458404    -14.63044873
  H     18.88971854      9.90943722    -14.29197299
  O     15.36979058     11.06322098    -11.67094509
  H     12.30996479      7.65380707    -15.90736301
  H     12.95274525     11.10279208    -15.86721922
  O     15.78455499     11.49806403    -14.43091251
  H     14.51622809     10.70106661    -11.95239783
  H     14.42175393     11.56021839    -15.68637865
  O     15.61952230      5.34369730    -16.21198332
  H     15.34827997     11.08264048    -10.70595765
  H     15.32424740      9.69159111    -14.59853768
  O     13.83551602      8.35132669     -8.67873172
  H     16.70867369     11.56432871    -14.70491074
  H     14.59761887      8.44574917    -15.22803387
  O     15.57107357      6.62349634    -11.46842199
  H     15.75094940     11.54026310    -13.46658644
  H     12.13484726      6.47277411    -12.43844386
  O     13.14910170      9.78454600    -12.73087939
  H     15.25763757      5.24840522    -15.31042217
  H     11.19001477      5.32880694    -12.86935745
  O     17.45386489      9.56826670    -17.21818386
  H     15.74307252      4.46342709    -16.55497854
  H     16.78244750      9.57773808     -8.78209689
  O     16.04002234      6.51662176     -8.67058110
  H     14.50167002      7.66550076     -8.54289634
  H     17.50259219      8.84324199     -9.91781844
  O     18.38700364     11.37855625    -15.44824846
  H     13.34434042      8.07876510     -9.46381876
  H     15.01948029      5.64969403    -12.97355950
  O     17.31010649      7.43860888    -15.37180726
  H     16.13815354      7.38189992    -11.67192806
  H     13.64117249      5.39077796    -13.61835390
  O     18.95276015      9.08771189    -13.79142896
  H     15.74726643      6.39755451    -10.54677905
  H     17.86943212      8.96516800    -12.39180002
  O     13.75658272     11.32928886    -16.34948913
  H     13.79241607      9.31948814    -13.29115710
  H     16.59617755      9.64340890    -11.78830332
  O     15.04609964      8.77809651    -14.43854943
  H     12.48816360     10.14600495    -13.33241711
  H     14.92082772     11.29978109     -8.16114310
  O     11.84436154      5.94050936    -13.19823706
  H     17.44948503      8.75496404    -16.69513492
  H     14.64651920      9.91239130     -8.78493018
  O     17.39143837      8.85050492     -8.95512376
  H     16.59006754      9.62774625    -17.64211475
  H     14.40380866     10.34873195    -17.61740838
  O     14.58571658      5.23508826    -13.73123521
  H     16.60385580      7.31136719     -8.70211588
  H     14.57536381     10.04840156    -19.12726227
  O     17.17695561      8.87542125    -11.72231324
  H     16.43913907      5.92049611     -8.04326190
  H     12.89878266      8.36642623    -11.68436096
  O     15.18632412     10.71863795     -8.86913682
  H     18.10090863     10.78057469    -16.16356402
  H     13.85262436      7.19728297    -11.31224363
  O     14.80117537      9.72965103    -18.25762993
  H     19.02295247     11.97966777    -15.82598462
  H     11.42114401      9.52033294    -15.05368169
  O     12.93780680      7.50953884    -11.23351780
  H     16.93523002      6.61674748    -15.70662521
  H     10.57390005     10.81367114    -14.95439898
  O     11.45916579     10.47457539    -14.85512013
  H     16.58875735      7.87292453    -14.89127386
  H     14.52035239      6.78561417    -16.71442406
  O     13.93712145      7.55514683    -16.72657319
  H     18.58213311      8.40147973    -14.36339033
  H     14.25641253      8.18293873    -17.38758754
          69
 Energy    -249.81008437653611     
  O     12.73808159     13.03255605    -14.91656037
  H     12.64309067     12.25825726    -15.48571314
  H     15.44429467      7.40747565    -15.83746539
  O     17.74892497      6.66809487    -13.84105025
  H     13.45507565     13.54981147    -15.30274662
  H     18.05650810     10.69854707    -14.10820183
  O     19.18755350     10.56958175    -12.80226576
  H     16.94055478      6.15688833    -13.71308524
  H     16.51409475     10.46117400    -14.08607228
  O     16.43304894     13.34173307    -13.51862962
  H     17.64200753      7.13691147    -14.67746237
  H     15.40724584      9.00565560    -18.50567135
  O     15.23011326      5.34867891    -13.51844335
  H     19.18818314      9.68945839    -12.40888400
  H     16.58039790      9.24952734    -19.48857948
  O     15.86974334     11.00282155     -9.33843882
  H     18.79896157     11.16447572    -12.14242990
  H     14.76986939     10.81839491    -12.75018006
  O     14.32312565      6.81865046    -11.44118166
  H     16.84694391     12.54343153    -13.86904502
  H     15.57786088      9.56092100    -12.24868302
  O     13.96487162     12.44012672    -12.53211047
  H     16.06923663     13.79682629    -14.28883676
  H     13.99744290     10.93673690    -16.50992453
  O     13.83551243      8.41237940    -18.04813496
  H     14.87456437      5.85031730    -12.76270059
  H     13.03386643     10.05088470    -15.66394973
  O     16.29692601      8.68442389    -10.82575828
  H     15.11511655      4.42455895    -13.31396818
  H     19.54184104      7.41476905    -11.35193379
  O     17.06017567      8.30616254    -16.06452574
  H     15.86718713     11.23509627     -8.41356993
  H     18.49585052      7.45723158    -12.49243735
  O     14.60486665      6.93422639    -15.74409127
  H     14.93855756     10.97385419     -9.62318968
  H     11.18638597      8.50671558    -11.70609877
  O     17.25161448     10.75380143    -14.64707802
  H     13.52049514      7.35166686    -11.45062385
  H     12.35835532      8.70937037    -12.69001763
  O     16.30228055      9.38315911    -18.58683729
  H     15.02422450      7.40071810    -11.11586169
  H     17.07680911     11.93144111    -10.53568862
  O     15.23192252     10.01492466    -13.02790260
  H     14.80833736     12.86999688    -12.72283755
  H     17.28480923     12.85349149    -11.76237413
  O     13.07970409     10.64328135    -16.42880779
  H     13.39205790     12.63082784    -13.28953823
  H     16.35572375     11.31417782    -16.10085233
  O     18.84072407      7.94440660    -11.72211052
  H     13.95475888      7.74780702    -17.35688854
  H     15.99703328     10.93633484    -17.55858903
  O     12.12888576      8.65209450    -11.74773178
  H     13.38220214      9.15533998    -17.62837736
  H     13.41113754     11.55464583    -11.03222534
  O     17.74216872     12.27207845    -11.14498656
  H     17.21677383      8.46905633    -11.02669441
  H     12.91731355     10.12215272    -10.72998547
  O     15.78345604     11.55073295    -16.84596067
  H     16.27848321      9.41762810    -10.19753824
  H     15.36012113     14.79129436    -16.63348414
  O     13.35225473     10.88541565    -10.33411684
  H     17.21465421      9.11782023    -15.56385917
  H     15.41573241     13.26267264    -16.40932819
  O     15.21130583     14.11094586    -15.98125998
  H     16.95816574      8.57815712    -16.98475569
  H     13.52468467      8.07870184    -14.80730941
  O     13.16491082      8.81995833    -14.30290858
  H     14.74819666      6.26894268    -15.05887995
  H     13.92637447      9.22436586    -13.85571743
          69
 Energy    -249.81002318862818     
  O     16.89866039     10.59677223    -10.89768044
  H     16.56843035      9.97801248    -10.22512549
  H     13.88698323     10.38344263     -7.86039357
  O     15.31042778      5.53347568     -7.50631896
  H     17.74854033     10.23909695    -11.18600025
  H     18.77389627      5.16433941    -14.35939398
  O     16.87313013     12.66564717     -9.08436250
  H     15.18304868      4.68662424     -7.08388913
  H     17.51971282      5.98875721    -13.98153435
  O     12.87743009      6.94884735     -8.24877600
  H     16.10237263      5.92476020     -7.10470408
  H     15.71215381      5.81246401     -9.32990834
  O     14.84957447      9.64395397    -12.54601007
  H     16.86556344     12.01757881     -9.80847233
  H     15.36327009      6.35042572    -10.77351651
  O     19.25165838      9.24141155    -11.47221010
  H     16.78344958     13.52637329     -9.48560886
  H     18.98479468      9.05024994    -13.31711956
  O     20.63048890      9.65863278     -9.05678336
  H     13.65685475      6.49807213     -7.91034507
  H     18.75786028      7.77015424    -14.14112255
  O     18.61108930      6.55039403    -11.08857967
  H     13.02266588      7.89698961     -8.10390703
  H     17.26989614      8.52431450     -6.29553585
  O     11.79647468      7.12477495    -10.72966323
  H     15.20011259      9.56827231    -13.44240394
  H     16.72139074      9.21938993     -7.53688585
  O     15.12586757     11.48006208     -7.10375522
  H     15.54698444     10.05069678    -12.01396481
  H     17.06879106      9.09493514    -14.73087466
  O     12.55133870      9.93534753    -10.88054305
  H     19.82472461      9.46715168    -10.72938643
  H     16.12810068      9.60198835    -15.85061947
  O     13.46620333      9.63457825     -8.30489626
  H     18.99757331      8.31554548    -11.33950487
  H     16.00859595      7.90242004     -9.45201255
  O     18.47460533      5.88771333    -13.81553764
  H     21.52441912      9.91778824     -8.85069610
  H     15.05558631      9.01165250     -8.87577065
  O     16.07569431      6.19783775    -10.13513873
  H     20.04278385     10.26010017     -8.56471087
  H     18.30707895     11.82947109     -8.12462064
  O     18.68505228      8.73209527    -14.17876647
  H     18.65718442      6.21870141    -11.99327156
  H     18.33655981     10.59988140     -7.19743208
  O     17.05593455      9.39480758     -6.64203557
  H     17.71087012      6.37634047    -10.77365650
  H     14.46212088      7.89452695    -12.16769548
  O     16.13545895      9.17197397    -14.99984491
  H     10.91222424      6.76945117    -10.74416887
  H     13.34810304      6.92667136    -11.67967498
  O     15.97271690      8.79948849     -9.10275924
  H     12.13579097      7.00005673     -9.82475842
  H     19.23608352      6.80061967     -9.34544714
  O     18.90386058     11.20798461     -7.69203107
  H     15.65399861     11.98286876     -7.73566701
  H     19.87157696      7.96675791     -8.57047338
  O     14.24745146      6.95989361    -12.02904450
  H     15.73861103     10.85683858     -6.69310453
  H     18.30714956      6.76593619     -7.17335857
  O     19.41523704      7.12531019     -8.45338199
  H     12.17118629      9.04948089    -10.92655791
  H     18.20307563      6.21208392     -5.73555612
  O     17.68436185      6.58148261     -6.44584845
  H     13.26260442      9.95394339    -11.53368650
  H     15.85155745      7.29893278    -14.64980462
  O     15.85290232      6.40886283    -14.27572646
  H     13.10340368      9.92304872     -9.15574380
  H     15.22998859      6.43608193    -13.53784552
          69
 Energy    -249.80952571236563     
  O     12.03785339     10.77459331    -17.01590550
  H     12.62244048     10.49172011    -17.73079091
  H     13.60080472      6.82448511    -14.77973968
  O     18.38314328      7.18116893    -13.03952828
  H     12.58008123     11.29902280    -16.41521089
  H     14.98628011     11.03861377    -16.37587767
  O     18.14310931      8.91402141    -10.89095322
  H     17.65354037      6.55612210    -13.05099322
  H     15.08250033     10.26655262    -17.72592124
  O     17.87624565     11.35973877    -15.52185729
  H     18.29779569      7.73099310    -12.24485233
  H     15.36316870      8.25780683    -12.37786275
  O     16.06524135      5.30727676    -13.30570481
  H     17.80837416      9.78775256    -11.12833799
  H     15.76096665      8.71959754    -13.82694793
  O     14.77404635     10.41263491     -9.67038772
  H     17.60712844      8.62677708    -10.14217344
  H     11.13931822      9.31526855    -16.63158303
  O     15.07916669      6.82953451    -11.19914403
  H     17.20973892     11.13009271    -16.18440164
  H      9.83592904      8.48868566    -16.75086410
  O     12.98994824     10.24830501    -13.18559616
  H     18.33797076     10.53897180    -15.31541993
  H     12.17147471      7.30096207    -12.32111820
  O     13.06115903      7.22510298    -17.66370976
  H     16.25458960      4.38574227    -13.46506093
  H     12.24975941      8.13342831    -11.02176218
  O     16.17677611      8.02736566     -9.01713481
  H     15.44206953      5.58472296    -13.99741253
  H     16.95510562     12.40528645    -14.47411230
  O     16.23913236      8.29621430    -15.56105838
  H     15.38261054     10.82418533    -10.29830879
  H     16.65171929     13.83796282    -13.97951770
  O     14.34530013      6.36901297    -15.19903837
  H     15.24157049      9.64801319     -9.31234863
  H     18.85291630      8.17088911    -14.35432217
  O     15.59520911     10.57292837    -16.96811015
  H     15.37780395      6.16335514    -11.82940308
  H     19.79275555      8.43899518    -15.55255566
  O     15.39397082      9.00888697    -12.98311104
  H     14.11028638      6.87895180    -11.23129857
  H     16.19607509     10.37989593    -12.18555249
  O     10.75069786      8.43343657    -16.48872928
  H     12.62156414     10.30081037    -12.29550173
  H     16.52250452     11.87235455    -12.35541389
  O     12.40191580      7.25126418    -11.38394990
  H     13.86481270      9.83468652    -13.09533732
  H     13.82928957      9.43565383    -19.81772829
  O     16.33398860     12.93904822    -13.94567070
  H     12.20549541      7.50031160    -17.30915718
  H     13.62706778      8.66160142    -18.49239644
  O     18.97116675      8.71434107    -15.15521518
  H     13.51473955      6.77354363    -16.94326488
  H     13.13808729     10.16238086    -10.16046382
  O     16.56283612     11.14952681    -11.72097594
  H     15.78439002      7.52784580     -9.75517472
  H     11.63261120     10.41445604     -9.90720593
  O     13.84735370      9.53214445    -18.86963076
  H     16.21310621      7.43512877     -8.27092048
  H     14.66914980     12.38101557    -14.73737189
  O     12.24227688      9.99000633    -10.50425321
  H     15.97044672      9.06455510    -16.08335471
  H     13.52913951     11.37755107    -14.45702009
  O     13.94592616     11.90039121    -15.15882063
  H     17.20224276      8.32248706    -15.50465504
  H     11.54473886      7.90608296    -14.89632018
  O     12.14605193      7.78031772    -14.15262972
  H     15.01815820      7.03893444    -15.40403030
  H     12.40264228      8.66965809    -13.86798194
          69
 Energy    -249.80822574271431     
  O     -1.86940458      5.57253869      4.00525961
  H     -2.20831792      6.46233202      3.95906829
  H     -2.72239264     -2.19784481      3.17534942
  O     -2.45181950      3.55857178      2.06100190
  H     -0.98817674      5.58253611      3.58347081
  H     -1.04578208     -1.05029677      2.66110887
  O     -1.07152031      3.98152077      6.16904010
  H     -2.42446047      4.27631801      2.70285330
  H     -1.63420777      0.35223480      2.46263372
  O      1.77358505     -2.47642255      1.85078207
  H     -1.56658974      3.51659879      1.66843449
  H     -4.25088077     -1.04093773      1.69880028
  O      0.25610467     -0.05884786     -1.59142166
  H     -1.41995699      4.53438561      5.45223646
  H     -3.86365189     -0.33252094      3.00672730
  O     -1.64261758     -1.56713967     -0.16690618
  H     -1.30843189      4.41215753      6.98724552
  H     -0.04970666      1.22298784      5.03331383
  O     -2.90573106      1.20995864      3.45566899
  H      1.80831916     -2.25624050      2.79007578
  H     -1.03309749      2.15100555      5.78605029
  O     -4.23928359     -0.54432723     -0.17909795
  H      0.97946611     -3.00229542      1.70373662
  H     -1.05681312     -3.09181806      0.58094923
  O     -0.80746142      2.43331852     -1.63871294
  H     -0.40857199     -0.66539482     -1.23928968
  H     -0.80394492     -4.61381180      0.68901500
  O      2.56183752     -0.70754263     -0.03477753
  H      1.08418397     -0.28716501     -1.15243417
  H      0.80226976      3.91747949      5.51670112
  O     -0.53503302     -1.55622045      5.65568148
  H     -2.57256535     -1.35087108     -0.30911166
  H      1.77637846      2.93666593      4.84300679
  O     -1.86138696     -2.55931865      3.44176811
  H     -1.36670213     -1.03008329      0.59319369
  H      0.54549794      0.63633452      1.82225275
  O     -0.93599515     -0.23825619      2.14987735
  H     -2.83970871      2.06696899      3.01418510
  H      1.89600769      0.64539267      1.06267645
  O     -4.11059690     -1.19391352      2.63999675
  H     -2.29113147      1.22337116      4.20365359
  H      2.52943326     -2.19788541      5.20825989
  O     -0.93911010      1.26596557      5.41356738
  H     -5.04255713     -0.55217916     -0.69232676
  H      1.06676708     -1.72807403      5.03323165
  O     -0.70264390     -3.78952374      1.15813275
  H     -3.92092356      0.37687532     -0.17278822
  H      1.91073404      0.17737462      4.54384133
  O      1.59462903      3.87687763      4.96942283
  H     -0.39443339      1.55144173     -1.65052965
  H      1.66053553      1.20836110      3.42806297
  O      1.34757328      1.16171097      1.66374621
  H     -0.74731305      2.77634542     -2.52635515
  H      0.50539562      4.80302244      2.08415619
  O      1.94635388     -1.73264139      4.61361016
  H      3.45838952     -0.89671714     -0.29741263
  H      1.05268053      4.88103108      3.53649831
  O      1.68677526      1.10233159      4.39052135
  H      2.31164131     -1.38353837      0.62144484
  H     -3.13747955      2.56806764      0.56955638
  O      0.54457474      5.36512964      2.86791942
  H     -1.10131892     -1.97803668      4.99289532
  H     -2.44656242      2.12696725     -0.73522029
  O     -3.21877447      1.96535464     -0.17894939
  H     -0.81662789     -0.63561095      5.72098428
  H     -0.18617835      3.23949349     -0.06502883
  O      0.06032361      3.44764277      0.84415205
  H     -1.56566254     -3.16454683      2.75318804
  H      0.58505617      2.69572233      1.15587275
          69
 Energy    -249.80774247130572     
  O     -3.78947365     -0.33982929      3.07117467
  H     -4.21111074      0.22899602      2.40892173
  H     -1.93636557      1.69790685     -0.04580895
  O      0.89317668      2.52018640      2.78760359
  H     -3.32236249      0.25391098      3.67050914
  H     -7.33408643      2.58934153      1.83775742
  O     -2.36222911     -1.78817603      1.22947022
  H      1.56687945      3.16701890      2.98337497
  H     -7.49464170      2.04705699      0.38656606
  O     -3.53715311      0.81730498     -2.38830928
  H      0.04785560      2.99778834      2.76972612
  H      0.96883477      1.19725056      1.38243789
  O     -4.68755874      1.25034504      1.02871207
  H     -2.80388762     -1.27520893      1.92473713
  H      0.79996560     -0.33049189      1.34453396
  O     -7.45751237      2.04829830      3.59013064
  H     -3.03843416     -2.35573953      0.84245049
  H     -4.68857865      3.70359642      3.80391568
  O     -7.96039504      0.42760505     -0.44120581
  H     -2.72905718      0.50850532     -1.95666686
  H     -4.20386628      2.42971474      4.52897090
  O     -2.46770701      1.63311162      4.50945084
  H     -4.24738783      0.26564050     -2.03753237
  H     -2.33215822      4.27050398      2.78294643
  O     -3.73069563      3.49529832     -1.94164451
  H     -5.44666111      1.84401256      1.05374338
  H     -1.82294727      3.21787995      1.78282281
  O     -5.44590339     -0.61710550     -0.84972563
  H     -3.90892776      1.77124833      0.79578984
  H     -4.19552352      6.04651256      2.96986108
  O     -4.69256457     -3.08598657      0.29516259
  H     -8.05711998      2.29625429      4.28911821
  H     -4.37556325      4.98428756      1.86213268
  O     -2.30791589      2.53542430      0.26637882
  H     -6.56653879      2.31041094      3.88346068
  H     -6.58012523     -1.73658226      2.53777011
  O     -7.08717981      2.74505312      0.91540716
  H     -8.58972012      0.20956230     -1.12385238
  H     -5.10359364     -1.68772413      2.97808681
  O      0.91463808      0.44545208      0.78063233
  H     -7.12103724      0.00355396     -0.68675304
  H      0.01044309     -0.43595544      3.83648021
  O     -4.99531264      2.92177442      4.27880455
  H     -2.20851161      2.32445986      3.88529866
  H      0.40088024      1.04685384      3.93784215
  O     -1.64145456      3.61055677      2.65257846
  H     -1.66026498      1.12267006      4.66939032
  H     -0.73865973     -1.86806898      2.00638401
  O     -3.99924460      5.14028687      2.74652590
  H     -3.49212304      3.96882293     -2.73444489
  H      0.48297255     -2.63593227      2.55544981
  O     -5.77561199     -2.27149994      2.60275931
  H     -3.73261241      2.54930026     -2.17457086
  H     -8.01864049     -0.22742887      1.39960605
  O     -0.04274106      0.33399510      4.41493007
  H     -5.12102979     -0.00643072     -0.16805491
  H     -7.73730827      0.31676053      2.81333555
  O      0.12559168     -1.75939618      2.43545989
  H     -5.21513907     -1.50808429     -0.56029047
  H     -0.50438421      0.24077637     -0.30855604
  O     -7.88081094     -0.49681385      2.31443137
  H     -5.13173767     -2.87069537      1.14076700
  H     -1.78695829     -0.58561072     -0.07059185
  O     -1.40447972      0.09613529     -0.63878929
  H     -4.90277225     -3.99361061      0.09577119
  H     -4.72221129      4.30482049     -0.49396211
  O     -5.12376559      4.61792259      0.32417446
  H     -2.66850444      2.99731376     -0.50035154
  H     -5.91460070      4.07741334      0.46221986
          69
 Energy    -249.80758176111485     
  O     -1.93947361      4.49149349      2.13949168
  H     -2.48991556      4.24443985      1.38335176
  H      0.17594811      8.48774336      0.04355175
  O     -2.20873304      6.32615069     -1.55677709
  H     -1.79235111      3.70375812      2.67684928
  H      0.43501684      1.41432310      1.01905218
  O      4.44393664      5.53120868      1.77412466
  H     -2.13887162      7.05335488     -0.92669313
  H     -0.93579085      1.17949380      0.37196631
  O      1.99761032      6.85451627      2.04613964
  H     -1.29955352      6.08661436     -1.78681867
  H      0.45415360      3.96176670     -2.72963863
  O      0.39844073      5.50508898     -1.91250624
  H      4.31276625      5.40069663      0.81743191
  H     -0.25665435      2.85103851     -3.55702959
  O      1.85859102      2.47514920      0.57115806
  H      5.35654501      5.77888114      1.89521957
  H      2.01569317      7.84037324     -1.35491830
  O      0.48314423      4.87821834      0.75274488
  H      2.87929548      6.46109304      2.06482490
  H      2.75814770      8.01830534     -2.70377479
  O     -1.70348943      8.35098101      0.36024340
  H      1.63881485      6.84917165      2.94318425
  H      0.19517177      3.33571032      4.18496239
  O     -1.45692186      1.90055839     -1.34961967
  H      0.43791922      5.29999581     -0.96438694
  H      1.68639662      3.70116040      3.97164680
  O     -1.54916381      7.14283508      2.77134139
  H      1.08775922      6.15507455     -2.09348364
  H     -3.22507773      5.28367917     -2.82523114
  O     -3.11656382      3.94664510     -0.28094436
  H      1.40063557      3.32773912      0.63987172
  H     -3.94753169      4.08889415     -2.24293509
  O      1.13669784      8.47222577     -0.03281137
  H      2.34052850      2.48172512     -0.26253528
  H     -2.45161040      2.10784379     -4.88627090
  O     -0.44841339      1.05877734      1.19453238
  H      0.99711941      5.55100758      1.21842103
  H     -2.64333724      3.22018313     -3.83378867
  O      0.53444843      3.04516743     -3.04102388
  H     -0.33716523      4.74571687      1.24454022
  H     -1.63610213      1.54514527      4.09493777
  O      2.46396188      7.36253788     -2.07821627
  H     -1.65445478      7.94111084      1.24296249
  H     -0.94187537      1.71400309      2.72287850
  O      0.86974643      3.98432573      4.40978637
  H     -2.21458753      9.15005749      0.46217893
  H      2.18340388      2.79721861     -2.45386759
  O     -3.66932228      4.46485090     -3.08546318
  H     -0.59842779      2.26009092     -1.60801670
  H      3.57850283      2.13079017     -2.47587557
  O     -2.06806050      2.48145867     -4.09745945
  H     -1.90776597      1.78638567     -2.19377869
  H      0.84342288      6.94796481      5.38678499
  O     -1.20523090      2.18431236      3.53416183
  H     -1.80560985      6.22102935      2.61976943
  H      0.72016377      5.68010208      4.50726913
  O      3.03963600      2.75439319     -1.99525794
  H     -0.83353272      7.10513327      3.41508558
  H      2.77137165      2.84746422      2.17005311
  O      0.69152862      6.65556493      4.49281918
  H     -2.80035913      4.77252873     -0.67763065
  H      3.65582846      4.01012722      2.63802753
  O      3.12004072      3.27698120      2.96228603
  H     -2.53610574      3.24180041     -0.59918687
  H      3.67021265      4.42939623     -1.30555333
  O      3.95117369      5.24332343     -0.87216510
  H      1.46264526      8.01008826      0.75329562
  H      3.50246428      5.97009607     -1.32129996
          69
 Energy    -249.80755393448419     
  O     10.74021014     10.72830989    -11.86567028
  H     10.29113884     10.36303100    -12.63865463
  H     15.10085301      6.41056545    -18.40656467
  O     13.66778514      7.35730692    -15.30306287
  H     11.57510374     11.08824163    -12.19100602
  H     16.92675067      6.63961851    -16.59579692
  O     17.57570307     10.26976446    -11.51897775
  H     14.34708844      7.83792713    -14.80210344
  H     17.56713562      6.44714915    -15.20291281
  O     18.50035580      9.37037541    -16.23712099
  H     14.09822882      7.05057652    -16.10983728
  H     15.61044275     13.57657368    -14.56506920
  O     12.24085064      9.73298453    -15.17022165
  H     17.92386993     10.77266379    -10.78637963
  H     16.00108083     12.08602968    -14.42218704
  O     15.51871325      6.02560518    -10.05462227
  H     16.61676628     10.18760984    -11.37133718
  H     15.23983729      8.95070741    -12.93527390
  O     12.89240848      6.15647803    -12.92497222
  H     18.28625016      8.42208314    -16.16929393
  H     16.07307145      9.34565883    -14.16487856
  O     14.86536397      9.89902891    -11.39529227
  H     19.33075787      9.42876101    -16.70220133
  H     10.75226999      9.45191329    -10.67446592
  O     15.98677000      9.36904852    -17.74356914
  H     11.32072653      9.58566629    -14.91947504
  H     10.22761636      8.84034252     -9.35171357
  O     15.05207222      4.49196955    -12.22022500
  H     12.64892530      8.86307614    -15.28264309
  H     10.35029387      7.50812360    -11.62459487
  O     17.24500484     10.83772429    -14.26102214
  H     14.78435871      6.65202672    -10.05662286
  H     11.10551156      6.66096177    -12.67198943
  O     15.24731897      6.79336781    -17.54600675
  H     16.32025018      6.53212464    -10.25353348
  H     16.31425441      5.55521260    -13.15891391
  O     17.73962848      6.77790824    -16.09514285
  H     13.10137723      6.50250494    -13.80400723
  H     16.41669004      7.04498896    -13.58397351
  O     15.24787807     12.69755006    -14.49096864
  H     13.54638923      5.47321650    -12.73108405
  H     17.80604419      8.33393607    -11.21606201
  O     15.53929563      8.63291725    -13.79621944
  H     14.34983965      9.17413088    -11.01432674
  H     17.66847822      6.95748805    -11.89459378
  O     10.76339402      8.65268026    -10.11725607
  H     14.25746640     10.45863005    -11.89969423
  H     13.41546134     10.71482386    -16.27022646
  O     10.27429117      7.12571577    -12.50745805
  H     15.36240563     10.03606874    -17.42012376
  H     14.49727737     11.78116883    -16.02107667
  O     16.92312667      6.22336748    -13.49591611
  H     16.83221059      9.53728011    -17.31679194
  H     13.18847326      7.22979753    -11.45386923
  O     17.74719555      7.39076924    -11.03416868
  H     15.23354849      4.95924331    -11.38313093
  H     12.48309004      8.03392086    -10.33084870
  O     14.17711459     11.15019250    -16.67474237
  H     15.13913411      3.55972449    -12.04179107
  H     13.84611954     11.93192417    -13.50916451
  O     13.34732211      7.74737700    -10.65142248
  H     17.80715472     10.38045947    -14.90175025
  H     12.90668251     10.73851852    -13.80434405
  O     13.22198860     11.32195911    -13.09745271
  H     17.54773000     10.63725649    -13.36482471
  H      8.82330297      9.17416499    -14.45988935
  O      9.70100597      9.24721480    -14.09537207
  H     15.47601003      7.73146017    -17.68990867
  H      9.86295061      8.43515040    -13.58181646
          69
 Energy    -249.80702287220990     
  O     13.14644020     14.43685261    -15.07814564
  H     13.85209601     14.05686958    -15.62715251
  H     16.14457452      8.51086380    -16.73664410
  O     14.58598310      9.61504716    -11.28392137
  H     12.53956052     14.86756829    -15.67522097
  H     14.62766605     11.78665076    -17.37327013
  O     17.48532626     14.60138131    -13.89461944
  H     13.79358267      9.78812550    -11.81466994
  H     15.06760076     10.35050634    -17.73257763
  O     15.41318802      7.68975107    -15.28843562
  H     14.39038957      8.84716240    -10.73381777
  H     18.82377208     12.88277929    -11.14150215
  O     13.95621118      7.13227513    -10.12814092
  H     17.88461292     13.97236692    -13.28308052
  H     17.42138770     12.48091936    -11.65859220
  O     15.59722278      5.96744335    -11.96090715
  H     17.73100313     14.31765449    -14.78242411
  H     12.76746424     13.29814770    -12.08702723
  O     15.47358385     11.59299600    -14.18663324
  H     14.83175636      6.96085782    -15.03573533
  H     12.54865759     13.31563155    -13.60868982
  O     12.35046395     10.07692098    -12.85222692
  H     15.89166291      7.94598128    -14.48593860
  H     13.18457963      5.07122212    -14.44578371
  O     16.58892108      8.43594409    -12.89507676
  H     13.92856430      6.68372529     -9.28779949
  H     13.10686772      6.34374043    -13.57103744
  O     18.03100490     10.61843664    -13.82281801
  H     14.57394619      6.63608272    -10.69483524
  H     14.34748698     14.73266083    -11.65000277
  O     13.58807279      9.80863268    -15.25663573
  H     15.02767211      5.74368675    -12.70719482
  H     13.72342890     14.84604851    -10.23435367
  O     16.48809496      9.04180088    -17.47305091
  H     16.13275923      6.71619256    -12.25804648
  H     18.17325218     12.76189736    -16.63506486
  O     14.29529328     10.92476891    -17.65778068
  H     14.76578837     10.97998393    -14.42437054
  H     18.63526285     14.12865694    -17.19272147
  O     18.33946503     12.65719172    -11.93125279
  H     15.35801913     11.87164399    -13.27081764
  H     15.09412800     12.80822979    -11.11189292
  O     12.34310370     12.81866019    -12.80792872
  H     12.65568795      9.93706054    -13.76168570
  H     15.32605806     11.25557414    -11.18624237
  O     13.69817035      5.81121507    -14.13332459
  H     12.21511111     11.03167100    -12.76468697
  H     15.38363170     12.70048413    -15.56930175
  O     13.96929059     14.22052112    -10.90919956
  H     17.24494800      9.09877611    -13.14642482
  H     16.14081143     13.56570308    -16.59346648
  O     18.00605560     13.72085777    -16.60413458
  H     15.92090407      8.88700197    -12.35995357
  H     12.63679090      7.21421479    -11.55448901
  O     15.71476214     12.11927336    -11.38312973
  H     18.36821610     11.24657723    -13.17262044
  H     12.06691556      8.24273515    -12.55167474
  O     15.25992679     13.25216292    -16.35931955
  H     17.14235081     10.93886740    -14.05128934
  H     14.35657373     15.21308308    -13.80938991
  O     12.20512297      7.29622071    -12.41344699
  H     13.64961295     10.21393466    -16.13354243
  H     15.85134249     15.19284747    -13.38893062
  O     14.95912991     15.41554756    -13.08464320
  H     14.14068509      9.01720531    -15.27673665
  H     17.75496854     10.36790865    -16.93428797
  O     18.35145174     11.02683437    -16.56083641
  H     16.70821189      8.42547946    -18.16845630
  H     18.42925020     10.80792801    -15.62195681
          69
 Ord_Energy   -249.806839    
 O   -4.29033184       6.10084391       6.24955320    
 H   -4.56660509       6.40583658       7.11049604    
 H   -4.64600420       5.20197535       6.14402246    
 O   0.285003096       2.16588378       2.57801986    
 H   -6.28297403E-02   2.83504319       1.95946431    
 H    1.23055804       2.14575887       2.46020699    
 O   -1.22070479       3.06462479       4.85947275    
 H  -0.577183485       2.81678891       4.18415833    
 H   -2.02562523       3.31013441       4.37725019    
 O   -2.82365108      -2.25396442       2.50936747    
 H   -2.41673779      -1.37690210       2.41919160    
 H   -2.43743777      -2.80595922       1.83373225    
 O   -3.18266106       3.63104200     -0.556912482    
 H   -3.70296502       4.38323116     -0.218536988    
 H   -3.29106283       3.62619734      -1.50392163    
 O   -4.59791994       5.68081474      0.473944813    
 H   -4.19472408       6.50691843      0.765390456    
 H   -5.38472748       5.56770229       1.02229464    
 O   -6.04790163      0.906490862       2.90621686    
 H   -6.02238989      -6.06652200E-02   2.86690712    
 H   -5.35210848       1.23256767       2.31864977    
 O   -1.53308427       5.87516785       5.39033127    
 H   -2.42194390       5.96464539       5.75602484    
 H   -1.30537784       4.93828869       5.44586277    
 O   -3.87143254       1.85651052       1.48251975    
 H   -3.63141322       2.35347939      0.690405428    
 H   -3.12300253       1.30117822       1.74033797    
 O   -7.20681715       3.34853339       3.64320827    
 H   -6.96977997       2.46922565       3.31918216    
 H   -6.66920280       3.48804951       4.43254757    
 O   -5.61857414      -1.80179334       3.10850215    
 H   -5.65114260      -1.96094108       4.05980015    
 H   -4.71643496      -2.01125598       2.83782721    
 O   -2.37214589      0.573683977       5.29606104    
 H   -1.92229068       1.42540658       5.36602116    
 H   -3.31881547      0.729058027       5.42360687    
 O   -2.71860337      -2.21071219       5.38568592    
 H   -2.42919254      -1.29238915       5.48405075    
 H   -2.67580462      -2.39392042       4.43911839    
 O   -1.81281757      0.316094577       2.58996224    
 H   -1.01383317      0.847692251       2.48408365    
 H   -2.05016232      0.378752023       3.52823186    
 O   -5.16459417       7.30883741       3.78882909    
 H   -4.89438677       6.92336273       4.62988853    
 H   -5.78404808       6.69481707       3.37351751    
 O   -5.13302517      0.825960338       5.54426861    
 H   -5.32013607      -7.11530298E-02   5.84602118    
 H   -5.46038580      0.880293071       4.63345671    
 O   -5.14881229       3.60383034       5.59905958    
 H   -5.16644812       2.66264772       5.81350994    
 H   -4.59561300       3.69318962       4.80391836    
 O   -5.36096096      -1.95262742       5.98757982    
 H   -5.67389059      -2.57349849       6.63951349    
 H   -4.41201878      -2.13057137       5.85963821    
 O  -0.798901141       4.01904297      0.976618707    
 H   -1.52658045       3.87596893      0.361721665    
 H   -1.06371284       4.76570177       1.53480995    
 O   -6.83127546       5.60286188       2.21982646    
 H   -7.68681097       5.92072868       1.94189048    
 H   -6.98868752       4.76678610       2.69179106    
 O   -1.81720352       5.95108080       2.65707254    
 H   -2.29310894       6.73274899       2.35365605    
 H   -1.62690341       6.05925941       3.60085535    
 O   -3.51331496       7.98751926       1.77722573    
 H   -3.46566987       8.92924595       1.64187992    
 H   -4.10855246       7.83792686       2.53555369    
 O   -3.50599098       3.82401681       3.42847323    
 H   -3.66677594       3.19648528       2.71308136    
 H   -3.07163787       4.60271120       3.05737209    
          69
 Energy    -249.80680177054290     
  O     17.51704962      8.20303769    -11.72672133
  H     17.13193777      7.52830547    -11.14384086
  H     14.83590847      9.11915093    -15.75148809
  O     11.23491403      9.66557122    -11.93125491
  H     18.39524814      8.37910345    -11.39710649
  H     11.49251427      8.37814605    -15.16356488
  O     11.88063278      3.97951462    -12.12276543
  H     10.72755060      8.90232905    -11.63239653
  H     12.66219460      9.40635059    -14.96385727
  O     13.57909656      5.83378348    -16.25712061
  H     11.35029561      9.55756612    -12.88644801
  H     13.86358062      5.82748181    -13.49937688
  O      9.85464054      7.27754269    -11.11121787
  H     11.85134561      4.59797387    -11.37951857
  H     14.81270951      4.62334764    -13.30662914
  O     15.96432087      4.06171422     -8.53858495
  H     12.61285583      4.25201006    -12.69966167
  H     12.96056045      7.93343341    -13.56755143
  O     13.51740491     10.37131418    -10.67655508
  H     12.66451572      6.13971362    -16.24263528
  H     14.40208241      8.20180678    -13.10442609
  O     16.43220973      4.55987134    -12.47631661
  H     13.69993959      5.31522191    -15.44997727
  H     16.18179746      9.33808355    -12.34190888
  O     15.70097064      7.52980365    -16.29466126
  H     10.47145837      6.72002315    -10.60790745
  H     14.83626438     10.05569242    -12.00899440
  O     13.09320883      3.70605679     -8.62663641
  H      9.03483690      7.28535122    -10.62219877
  H     12.62360946      1.03277958    -10.98457683
  O     10.89922585      6.78358370    -15.94852769
  H     16.50589044      3.70035304     -7.84197181
  H     12.59706791      2.53092981    -11.35923224
  O     14.35973633      9.86524466    -15.36409318
  H     15.99069596      3.42377862     -9.27598379
  H     13.71123238      8.54631132    -10.21863218
  O     11.85761075      9.03958794    -14.56425626
  H     13.38414349     11.17327296    -10.17942972
  H     13.67161090      7.48748832    -11.33140678
  O     13.94684020      4.87267808    -13.65342650
  H     12.67368815     10.17557430    -11.12624288
  H     10.65653438      5.03031521    -13.15496638
  O     13.70345496      7.53431035    -13.09708697
  H     16.33084198      5.12338537    -11.69740055
  H      9.97942003      6.36026210    -12.79275967
  O     15.39850049      9.74691676    -12.73166418
  H     16.83877046      5.12252669    -13.15265706
  H     12.14361518      5.04519387     -9.33836045
  O     13.07431248      1.86123714    -10.84167624
  H     16.11312893      7.48061085    -17.15408916
  H     12.48522244      6.41615977     -9.97738058
  O     13.76782189      7.59601928    -10.37110947
  H     14.94127498      6.92125958    -16.31819207
  H     16.12107741      3.02370406    -11.45031466
  O     10.18665604      5.78194618    -13.53612765
  H     14.02897553      3.88372747     -8.47495621
  H     14.95803899      2.17977278    -10.85776001
  O     11.79102350      5.74512855     -9.90703154
  H     13.06704525      2.97190249     -9.25297582
  H     16.18298856      5.59791772     -9.55081548
  O     15.87072359      2.45602099    -10.70828224
  H     10.60687069      6.39023786    -15.10627891
  H     15.33410731      6.73179861    -10.19174720
  O     16.19537206      6.29032888    -10.22351509
  H     10.18626715      6.66300071    -16.57010571
  H     17.43425483      7.23510383    -13.46914881
  O     17.31928649      6.54982572    -14.13630261
  H     14.79754588     10.03709636    -14.52012380
  H     16.78627853      6.93064964    -14.84508871
          69
 Energy    -249.80676493071985     
  O     12.95269394      9.88386587    -15.73455295
  H     13.18393280     10.82099339    -15.74536383
  H     15.13478491      5.30037472    -15.76431445
  O     15.68926960      6.78525977    -13.11516387
  H     13.76676114      9.40408243    -15.50953938
  H     19.13656385      7.07694058    -14.12108194
  O     17.06586407     10.51344643    -11.51900149
  H     16.41791648      7.08789789    -12.56029048
  H     20.44948263      7.13734437    -13.30665580
  O     18.46580115     11.15148596    -16.17635666
  H     14.90134772      6.79475258    -12.55775184
  H     15.77200403     11.03333167    -17.89154933
  O     13.29048988      5.80721774    -16.22511215
  H     16.45815975     10.79019475    -12.22100632
  H     16.79418352     11.63662667    -16.89724273
  O     15.13065729      9.97343932     -9.60637255
  H     16.51757745     10.45791132    -10.72317113
  H     15.47156742      8.02260566    -14.40622840
  O     13.57707535      7.04086641    -11.33790233
  H     18.60158664     10.87798790    -15.25145618
  H     16.08361225      8.68303689    -15.67783634
  O     15.17321727     11.00664191    -13.45598365
  H     19.25977430     11.60860166    -16.44176070
  H     10.32655969      9.60204669    -13.91761345
  O     17.43286916      8.66638493    -16.97503089
  H     12.93345721      6.08264525    -15.36339442
  H     11.76548087      9.53381493    -14.48744537
  O     15.71542456      7.13715811     -9.45744993
  H     12.78415835      5.04127621    -16.48763556
  H     12.60388028      6.54212229    -12.93268489
  O     18.38135704      6.47756780    -15.53380385
  H     14.36492092      9.99376791    -10.19436892
  H     11.76350895      7.46878718    -13.81219315
  O     15.96919241      5.11882935    -15.31913205
  H     15.26141670      9.04453790     -9.38192508
  H     18.39994919     10.45382300    -12.87496579
  O     19.55899271      7.47613402    -13.33806392
  H     13.44497800      7.99431363    -11.45232616
  H     19.18575966      9.32772329    -13.58344964
  O     15.92514708     11.77597836    -17.29487593
  H     14.18228853      6.94044321    -10.59300693
  H     18.37298061      7.59760337    -11.93893795
  O     15.38800315      8.76780606    -15.01606879
  H     14.80264630     11.66763244    -14.05038786
  H     17.45535089      8.73924995    -11.41572621
  O     11.20991382      9.29975449    -13.72349708
  H     15.35535038     10.22444071    -14.00051888
  H     15.53693499      9.35749377    -19.85517396
  O     12.23132833      6.62524735    -13.81862408
  H     17.88122513      9.49615262    -16.76506196
  H     14.78079163      8.92346467    -18.57831005
  O     18.90116117     10.24551183    -13.67260899
  H     16.86492545      8.83411183    -17.73774202
  H     12.44635177      9.70286959    -12.33289797
  O     17.62122417      7.78598391    -11.36224529
  H     16.45846732      7.28016775    -10.06731751
  H     13.89449916     10.23656206    -12.34578441
  O     15.55362976      9.41877294    -18.90393919
  H     16.05135314      6.61040379     -8.73650843
  H     14.69847177     12.29922964    -16.22378864
  O     13.24232272      9.78376784    -11.79320150
  H     18.14162512      7.19322679    -16.13685750
  H     13.72954780     13.39479827    -15.71194807
  O     13.99899403     12.49182964    -15.57155900
  H     17.61677658      5.88479043    -15.52018310
  H     13.42324415      7.29402176    -17.38050830
  O     13.41373264      8.12816756    -17.86731983
  H     15.88455746      5.55764932    -14.45990189
  H     13.05528790      8.78096259    -17.25180596
          69
 Energy    -249.80629597053235     
  O     17.05173124      7.89823344    -14.25004082
  H     17.38672009      8.24225168    -15.09000585
  H     13.29387660      8.58213209    -15.25864540
  O     12.54079642     11.31497206    -10.29616764
  H     17.76313415      7.89770930    -13.59687451
  H     11.01591692     11.83489410    -14.71774479
  O     17.82261687      9.12866298    -16.54731357
  H     11.92874765     10.76475290    -10.82004511
  H     12.26015925     11.79616707    -13.79864207
  O     11.03357686      9.79249382    -11.93479429
  H     12.05609243     11.62535193     -9.53660535
  H     15.59592320      6.53131398     -9.76476258
  O     15.50358813      5.94078445    -13.14559628
  H     17.02632508      9.60300514    -16.81775374
  H     16.83120606      7.41861096     -9.49705658
  O     18.75621603      7.78146891    -12.06096296
  H     18.46248817      9.80592920    -16.29207813
  H     14.73843571      9.57122670    -11.71152598
  O     19.68710110     10.30483689    -12.97269143
  H     11.15983963      8.83934132    -12.01549566
  H     13.92589608     10.12693388    -10.49759806
  O     17.25518818      9.21461260    -10.16943621
  H     11.14515995     10.17182068    -12.81514511
  H     15.82286648     11.36101946    -13.10149260
  O     11.54695109      6.99629307    -12.06670123
  H     16.18513169      5.45215655    -12.66993004
  H     16.45241770     12.54292863    -13.86180385
  O     15.44619209     10.63608242    -17.07117176
  H     15.99313372      6.61659945    -13.64064312
  H     18.15819316      4.34662789    -11.22017428
  O     13.12686999      6.99081383    -14.46561044
  H     18.59602436      6.84128014    -11.91716383
  H     17.34173491      5.55569858    -10.70518464
  O     13.46187144      9.49904539    -15.52699432
  H     18.23988087      8.25011695    -11.38783643
  H     15.92538386      9.11332380    -13.65641702
  O     11.65120236     11.24355055    -14.32224749
  H     19.21608635     10.84866382    -12.32962530
  H     14.55309338      9.68932518    -14.07459345
  O     16.51712729      6.50600610     -9.47606418
  H     19.56022895      9.39062750    -12.69128465
  H     19.59785820     10.86264617    -14.62057005
  O     14.57870098      9.46817733    -10.75930991
  H     17.62283538     10.09041745    -10.33907427
  H     20.36808025     11.45085613    -15.82410450
  O     16.12646529     12.27508289    -12.98950590
  H     16.30077848      9.31190880    -10.30642300
  H     17.88692799     12.17209528    -15.59229069
  O     17.74273473      5.15832934    -11.49897194
  H     12.37139418      6.86015651    -11.56995329
  H     16.44306436     11.98487414    -16.09659424
  O     15.22226712      9.71784085    -13.38106894
  H     10.95096719      6.29813487    -11.80601709
  H     14.17747067      7.74153393    -10.81146577
  O     19.50063306     11.17967832    -15.53584658
  H     15.10457458     10.77939498    -17.95088919
  H     14.53230757      6.50501889    -11.69524698
  O     17.00291550     12.56061194    -15.56154328
  H     14.73296948     10.21290010    -16.56609335
  H     17.37030949     12.01887601    -11.74905212
  O     14.03269670      6.78784934    -10.91436173
  H     13.89676547      6.50403447    -14.14876319
  H     18.32814599     12.56924186    -10.66799828
  O     18.06970208     11.77020887    -11.12048294
  H     12.48986539      6.96753141    -13.74149264
  H     13.12351399     12.33276883    -11.81458749
  O     13.31992508     12.64320527    -12.70718056
  H     12.74597048     10.05592478    -15.19394456
  H     14.28155302     12.67772450    -12.78299970
          69
 Energy    -249.80615208563432     
  O     -4.11855070     -5.50423588      2.80557007
  H     -3.20590950     -5.84844633      2.83806148
  H     -4.22698634     -8.14508528     -3.85862954
  O      1.68613620     -2.86710557     -3.27801938
  H     -4.37043190     -5.31034127      3.70376734
  H      3.91101649     -4.34763756      0.80387687
  O      0.84924448     -7.45041105      0.25389140
  H      1.68424355     -2.46691502     -2.38951275
  H      2.98833804     -4.65578026     -0.39692606
  O     -5.92268983     -8.42810988     -3.10036078
  H      2.01483946     -2.20547121     -3.87981562
  H     -3.00032145     -9.47989808     -0.80436374
  O      2.80784791     -5.22001301     -2.06040682
  H      0.35878760     -8.08024397      0.79269591
  H     -1.67613234     -9.32263392     -1.63715088
  O     -1.05548403     -9.06812298     -3.37900377
  H      0.73732882     -6.59358084      0.68705731
  H     -4.50880625     -3.77308274     -0.96942422
  O     -2.81618203     -6.52887261     -0.80886964
  H     -6.14377048     -7.60966029     -2.62143863
  H     -5.33535172     -2.82535176     -1.86875522
  O     -0.58423395     -4.44443985     -2.77470879
  H     -6.71720188     -8.70448621     -3.54962934
  H     -4.92723425     -6.69943929      1.51687436
  O     -6.42372534     -6.21991743     -1.59081829
  H      2.54472007     -4.46530865     -2.60115377
  H     -4.32017538     -6.99493954      0.13747010
  O     -4.76594691     -9.58779609     -0.75716557
  H      2.16003671     -5.91299576     -2.24073074
  H     -0.03561055     -4.37466829      0.91127161
  O     -0.99612257     -9.02928350      1.73430833
  H     -0.79084578     -9.72898090     -4.01308855
  H      1.41157219     -4.70840071      1.31790083
  O     -3.34442328     -7.88692886     -4.15037203
  H     -1.87801705     -8.66696211     -3.71553243
  H     -1.82160314     -3.38496677      0.04749398
  O      3.02301611     -4.22899152      0.47793198
  H     -2.94000930     -6.26478597     -1.72920133
  H     -0.84734881     -3.69504896     -1.12219290
  O     -2.05932678     -9.24761697     -0.75565465
  H     -2.40845103     -7.40227606     -0.80457785
  H      0.67592510     -2.28013193     -0.44227840
  O     -4.99885586     -3.71582608     -1.80656513
  H      0.12733970     -3.87915682     -3.09864629
  H      2.15184097     -2.64593306     -0.20159429
  O     -5.09399926     -7.17285415      0.69472576
  H     -0.20579078     -5.32562537     -2.62872441
  H     -0.85082285     -5.88974216      2.43695198
  O      0.49129001     -4.95219118      1.48096495
  H     -6.13353267     -6.50576433     -0.71327270
  H     -1.41334133     -7.32981620      2.46589922
  O     -0.91381605     -3.26562850     -0.25664531
  H     -6.05108009     -5.34117358     -1.72024889
  H     -3.10087228     -4.98552086      0.03134259
  O      1.57990833     -2.04037476     -0.69004085
  H     -5.18716741     -9.32206202     -1.58419048
  H     -3.75595964     -4.42156646      1.30554873
  O     -1.58917669     -6.42551211      2.75334007
  H     -5.02373373     -8.91939037     -0.10844826
  H      0.09087282     -7.66031147     -2.81011157
  O     -3.44640829     -4.16792220      0.42824176
  H     -0.94185754     -9.87920613      2.16322376
  H      0.64436684     -7.16772887     -1.44313343
  O      0.54723230     -6.92976320     -2.38050558
  H     -1.40116847     -9.18116800      0.86260941
  H     -2.27075314     -4.86036131     -3.23140929
  O     -3.14990565     -5.25832573     -3.31918708
  H     -3.29780863     -6.92786589     -4.03148877
  H     -3.79497033     -4.64306397     -2.95185110
          69
 Ord_Energy   -249.805359    
 O   -3.72976017       2.48645091       1.05756676    
 H   -3.66444254       1.68752205      0.513886929    
 H   -3.10373950       2.34948874       1.78402507    
 O   -1.78645003      -1.11178339      -5.52880478    
 H   -1.15486443      -1.73227108      -5.14596367    
 H   -2.61687636      -1.26272488      -5.05737495    
 O   -1.92567086       2.24453497      -2.78369474    
 H   -2.82675242       1.89341044      -2.82209897    
 H   -1.51727128       2.05363536      -3.63712287    
 O   -3.64809394       5.72603308E-02 -0.271195352    
 H   -2.84034276     -0.442573428     -0.110567480    
 H   -4.37472010     -0.359242678      0.209031537    
 O   -3.87949586      -1.52511322      -3.69926572    
 H   -4.08751249     -0.618135989      -3.43030906    
 H   -3.21232200      -1.86912370      -3.08843088    
 O    9.52275172E-02  -2.62912774      -3.95483851    
 H   0.809467971      -3.18611073      -4.25198984    
 H   0.487388462      -1.76672351      -3.72556806    
 O   -1.93322146      -2.77044129      -2.03272176    
 H   -1.23139703      -2.84861207      -2.69040179    
 H   -1.58229625      -2.23187876      -1.30613351    
 O   -1.91398549       3.96950245     -0.528607666    
 H   -2.65422225       3.60822439      -2.23929603E-02
 H   -1.94749308       3.54254127      -1.39462888    
 O  -0.703664422       1.35139525      -5.16166735    
 H  -0.552358150       1.78185463      -5.99875975    
 H   -1.14268064      0.503865361      -5.35672522    
 O   -6.91539097       1.44695795      -1.60707438    
 H   -7.25800180      0.551575541      -1.49101031    
 H   -6.80908251       1.79437530     -0.713919342    
 O   -5.81798029      -2.83563423      -2.12767053    
 H   -5.25276709      -2.43074226      -2.79887319    
 H   -5.22524405      -3.28901672      -1.51748872    
 O   -5.98293447     -0.677327514       1.15738475    
 H   -6.61254263     -0.959488809      0.480261564    
 H   -6.17678833      0.253393620       1.32749331    
 O   -6.42251015       2.12727928       1.19431400    
 H   -5.48491716       2.38652921       1.19786537    
 H   -6.88575792       2.76713037       1.72846150    
 O   -3.80191255      -3.98668194     -0.432298034    
 H   -3.68995547      -4.93462181     -0.410177410    
 H   -3.11114931      -3.64035511      -1.02221966    
 O   -3.62543091E-02   1.06727135      -1.07988787    
 H   0.180258781       1.71028674     -0.393821210    
 H  -0.724265039       1.46442580      -1.63477468    
 O   -3.90957427      -2.36580062       1.95258951    
 H   -4.72121763      -1.84978139       1.85359192    
 H   -3.87276292      -2.95670962       1.19070697    
 O   -1.69863677       1.79588234       2.75628066    
 H   -1.63540852      0.833728492       2.78373337    
 H  -0.954260111       2.11647940       2.23173642    
 O   -4.40266848       1.00854981      -2.67932582    
 H   -5.31281948       1.28206956      -2.50446296    
 H   -4.09322453      0.633686483      -1.83799720    
 O   -1.63713753      -1.10235190       2.75511384    
 H   -2.47587395      -1.54950154       2.54032707    
 H   -1.27997279      -1.54732919       3.51949096    
 O   -7.67753315      -1.26099527     -0.998217106    
 H   -8.54328156      -1.64477789      -1.10647964    
 H   -7.05041885      -1.84765112      -1.45877492    
 O   -1.13997090      -1.17675960       1.49391899E-02
 H  -0.675950229     -0.390273899     -0.309136897    
 H   -1.13012838      -1.17169762      0.979450405    
 O   0.999798179     -0.134699285      -3.40410662    
 H   0.564847946      0.439423084      -4.04733419    
 H   0.809037507      0.252949417      -2.54015970    
 O   0.171177641       3.01305199      0.918027759    
 H   0.809437215       3.68481660       1.14228761    
 H  -0.542243063       3.45708060      0.422761083    
          69
 Energy    -249.80527962410002     
  O     14.78619905     11.08732419    -10.94125361
  H     15.50066083     10.76222645    -10.38073957
  H     15.68256371      8.39233452    -17.89101976
  O     14.81161680      6.97863194    -15.14159171
  H     15.17361100     11.15476554    -11.82482508
  H     18.10436609      4.80680094    -14.75732063
  O     15.24134911      4.92794974    -11.07591363
  H     14.78001829      6.08444003    -14.78007246
  H     17.76015586      4.09704608    -13.43521022
  O     18.85011559      6.85934433    -12.49890722
  H     14.06350716      7.47528072    -14.77418954
  H     18.95785341      9.99014076    -12.24782570
  O     14.19313832     10.49877481    -15.50358581
  H     15.35305976      5.84274905    -10.77756493
  H     19.05464821      8.55066173    -11.71198953
  O     11.14600897      7.05589955    -10.87171118
  H     14.31389434      4.69618212    -10.92096947
  H     15.92221153      7.61016419    -13.82809046
  O     12.81095268      8.49074023    -14.03175935
  H     19.16376000      6.62534219    -13.38274081
  H     17.24698359      7.65163156    -12.99028792
  O     15.55580603      7.58252753    -10.52162358
  H     18.58241424      6.03749204    -12.06870958
  H     13.13856253      4.09416246    -13.90425883
  O     18.45761224      8.67749187    -15.80474720
  H     14.71309241      9.97801795    -16.12734080
  H     11.95870352      3.15471519    -14.23737104
  O     10.92099442      6.53704238    -13.68680370
  H     13.57326821      9.88474090    -15.08601367
  H     16.94798812      4.49786619    -11.30356016
  O     19.34768687      6.21727176    -15.17492243
  H     11.80930388      7.76096235    -10.95555142
  H     18.23977090      3.75868853    -10.89074516
  O     15.87202805      8.66106587    -16.99513721
  H     10.48541437      7.37517098    -10.26179992
  H     14.96850556      4.72033824    -12.90429271
  O     17.52547368      4.13867363    -14.37120847
  H     12.97751124      8.69805895    -13.10359200
  H     15.75997427      4.29641023    -14.16757337
  O     18.95184525      9.47091705    -11.43512485
  H     12.06905604      7.86784846    -14.04409452
  H     12.29316937      4.24256643    -11.86707557
  O     16.36043970      8.02467755    -13.07543335
  H     16.01990353      8.25145707    -10.00448767
  H     12.04501382      5.36833390    -10.84738444
  O     12.18490036      3.95909112    -13.77700323
  H     15.81414179      7.74171121    -11.44493247
  H     18.99598289     11.73219156    -14.15056106
  O     17.88713177      4.37786627    -11.52497383
  H     18.56287747      9.43076733    -15.21203227
  H     17.70586493     10.95878176    -13.78961933
  O     14.87671181      4.53540381    -13.84918719
  H     17.60259259      8.77628471    -16.24151228
  H     13.91011526      8.29296393    -10.93464458
  O     12.53752145      4.54963974    -10.98543518
  H     10.84377274      6.66962969    -12.73312805
  H     13.54006291      9.76056184    -11.12573140
  O     18.66252128     10.86272136    -13.94343814
  H     11.27652644      5.64724093    -13.80098207
  H     17.71523382      9.71639302    -10.20825808
  O     13.19104149      8.86473053    -11.23632779
  H     20.14558521      6.04293045    -15.66716162
  H     17.40025528     10.07689588     -8.73983043
  O     16.99755915      9.78697348     -9.55405743
  H     19.03153117      7.09434621    -15.45861742
  H     16.11242207      9.81169730    -13.27125439
  O     15.99868044     10.75510115    -13.46258848
  H     15.50038167      7.97509131    -16.41300334
  H     15.35622337     10.81575141    -14.18429944
          69
 Ord_Energy   -249.805237    
 O  -0.518989444      -3.31186676      0.878500462    
 H   0.246283710      -3.42141461      0.301587999    
 H   -1.18063223      -2.82495356      0.364815652    
 O    2.66141510      -1.18055260      0.998217523    
 H    2.14679122      -1.36864030       1.79132998    
 H    2.47147417      -1.90853345      0.394008577    
 O   -2.79554009       1.05227816       2.63571811    
 H   -3.04269886      0.481343091       3.37801194    
 H   -1.83985770      0.951124847       2.52322125    
 O   0.637831032      -1.82991219       2.96383882    
 H   0.169185534      -2.08029842       3.76889396    
 H   0.235260725      -2.34491229       2.24826527    
 O    2.21979070       1.30803323      -2.94347048    
 H    2.46279955       1.33283651      -1.99885035    
 H    2.99981070       1.55096745      -3.43459272    
 O   -4.27542496       1.32787097      -1.11333692    
 H   -3.75377178       1.29843581      -1.92455196    
 H   -3.90856862       2.03851056     -0.574687779    
 O   -3.35198307     -0.911288679       4.45607281    
 H   -2.57979083      -1.41294932       4.74485731    
 H   -3.89624763      -1.53613293       3.96141648    
 O   -3.14686918       3.12745214      0.871128738    
 H   -3.70117569       3.81597209       1.23087287    
 H   -3.07501888       2.44207239       1.55691767    
 O  -0.668473423       3.19212127     -0.451921821    
 H    2.54950300E-02   3.26620555      0.215421170    
 H   -1.51712871       3.26625776       3.75623000E-03
 O  -0.349210948       2.54628015      -3.11408544    
 H   0.537852287       2.16937256      -3.14504313    
 H  -0.430550784       2.97209263      -2.24865985    
 O  -0.516081393      0.344182462     -0.480803430    
 H  -0.584885120       1.28234649     -0.692305148    
 H   0.112167023      -5.88837303E-02  -1.09236813    
 O   -2.70956612       1.26646256      -3.51671100    
 H   -3.10761142       1.59011102      -4.32141685    
 H   -1.86231446       1.73531711      -3.41870213    
 O    1.72448075      -3.17509222     -0.836599827    
 H    2.20314336      -3.82773542      -1.34091604    
 H    1.46246934      -2.47481394      -1.46004987    
 O   -2.25122595      -4.08264637       2.97241592    
 H   -1.68002963      -3.97245336       2.20034242    
 H   -3.10290790      -3.68631244       2.75029540    
 O    2.76541448       1.27667618     -0.306756854    
 H    2.78927779      0.427214265      0.159040451    
 H    2.38440681       1.91098642      0.308330774    
 O   0.939453006      -1.12300777      -2.43643808    
 H    1.40525913     -0.358253121      -2.79459262    
 H    7.90793225E-02  -1.21261454      -2.87670541    
 O   -4.70692968      -2.65106916       2.58308291    
 H   -4.68203115      -1.93936849       1.92183900    
 H   -5.59802198      -2.99210238       2.58150315    
 O    1.30203044       2.94881153       1.55396283    
 H    1.67448556       3.42714906       2.28996968    
 H   0.851930857       2.16843843       1.92230856    
 O   -4.34890652     -0.533237159      0.884070039    
 H   -4.48844671       4.21948917E-02  0.117009498    
 H   -3.80581522      -2.13457104E-02   1.49982417    
 O   -1.13642430      -2.67213321       4.99587917    
 H   -1.01105940      -3.19819117       5.78117228    
 H   -1.53491819      -3.25798249       4.32540321    
 O   -1.64372826      -1.36645329      -3.28120446    
 H   -2.00924063      -1.68314421      -2.44438910    
 H   -2.05611563     -0.506685138      -3.43373656    
 O   -8.93422216E-02  0.691395760       2.18956876    
 H  -0.191318646      0.512491584       1.24092436    
 H   0.193634614     -0.140504003       2.59072804    
 O   -2.28534794      -1.75405204     -0.548098803    
 H   -1.71076846     -0.971846700     -0.544791639    
 H   -3.09034228      -1.47699952      -9.64448825E-02
          69
 Energy    -249.80468236030913     
  O     -3.84709258     -0.95820077      0.89718597
  H     -3.36317897     -0.91859194      0.06075888
  H      0.14545571     -2.33441587      0.92333273
  O     -0.71891773      1.89270153      2.61857565
  H     -4.39169477     -0.16173690      0.93478916
  H     -2.99267414     -3.78904316      0.16551131
  O     -0.21098136     -1.24629198      4.97251286
  H     -0.05172744      1.73782713      3.29844438
  H     -3.59152352     -2.82110229      1.18881287
  O      2.76087063     -3.09074650     -0.29824382
  H     -0.26086167      1.98296309      1.77173331
  H      2.09625741      0.14715918      3.22149082
  O     -2.49527921     -0.82914442     -1.59979297
  H     -0.95805022     -1.12061654      4.37224117
  H      1.61845335     -0.71187541      2.01877043
  O     -3.63928557      1.65786594     -1.62923164
  H      0.19767626     -2.08514250      4.71456787
  H     -0.62079250     -3.85963683     -0.60545057
  O     -5.08361726      1.55599412      0.86367840
  H      1.88682504     -3.50329587     -0.30177243
  H     -0.23726707     -4.45428359      0.77804298
  O     -1.72635455      3.66760369     -0.80027206
  H      3.05029643     -3.10845030      0.62217363
  H     -2.66471997     -0.72297763      2.24575480
  O      0.42555943      2.17408815      0.04402643
  H     -1.54975995     -0.62239661     -1.55728911
  H     -1.61268200      0.30244284      2.76678612
  O      2.86799030     -0.77708984     -1.71751939
  H     -2.95176050      0.01004990     -1.75760193
  H     -2.35939938     -2.59215088     -1.66784746
  O      0.15385536     -0.27256356     -1.22564429
  H     -2.99969059      2.35821297     -1.45185875
  H     -2.50542438     -3.95010181     -2.38964508
  O      0.16992876     -1.42161465      1.23519695
  H     -4.25055861      1.66684180     -0.88228582
  H     -1.41051196     -5.75769487      2.68600486
  O     -3.22695193     -3.71019352      1.09869862
  H     -4.39593969      2.13687646      1.23652815
  H     -1.92472451     -4.46890731      2.00718368
  O      2.40694366     -0.35377277      2.45761525
  H     -5.92418442      1.91437560      1.13488101
  H      3.10926807     -1.99010530      2.55003522
  O      0.10724928     -3.96188990      0.02065299
  H     -1.46462683      4.46749043     -1.24960227
  H      4.13612858     -3.06730497      2.96806204
  O     -1.92136882     -0.61152617      2.85142244
  H     -0.90716867      3.22196091     -0.52728042
  H      1.66674291     -3.49684901      3.41572124
  O     -2.20949930     -3.54867266     -1.57653425
  H      1.38348879      2.10727967      0.16386150
  H      0.21995077     -4.05175974      3.40583195
  O     -1.12486933     -4.91866294      2.33288574
  H      0.19447026      1.38441028     -0.46520709
  H      0.67683812      0.20292060      4.80284790
  O      3.31774195     -2.93839059      2.49438901
  H      2.87956429     -1.61423298     -1.21941969
  H      1.44034474      1.42654621      5.37341490
  O      0.87011809     -3.59142882      3.94943487
  H      3.43468070     -0.90251191     -2.47386239
  H      2.95529967      0.79742798      1.08084383
  O      1.15357012      1.02013779      4.56077675
  H      0.15182812     -0.66283979     -0.33591080
  H      3.09567204      0.68810403     -0.44223365
  O      3.02929069      1.32874997      0.27630667
  H      1.04151301     -0.41535995     -1.57547222
  H     -2.66763795      3.48126040      0.85150093
  O     -3.05040578      3.15100620      1.67426894
  H     -0.57998027     -1.27028941      1.82532894
  H     -2.30636460      2.78621829      2.17085985
          69
 Energy    -249.80435215591473     
  O     11.18010615      9.97867375    -13.63619792
  H     11.63086679     10.77721541    -13.34002513
  H     15.63691517      6.24649667    -15.31043600
  O     15.72245765      6.31123963    -13.43533835
  H     11.66414306      9.67452051    -14.41733640
  H     18.40177870      7.45372285    -12.27959311
  O     16.84122889     10.24297031    -11.28110385
  H     14.95089415      5.94162265    -12.98420389
  H     18.00069552      8.93293337    -12.23313910
  O     16.79539505     10.90850476    -13.97655362
  H     16.42985270      6.30864777    -12.78078017
  H     14.43823812     11.81616937    -15.74982438
  O     12.55905332      6.33019328    -16.28972543
  H     15.87692621     10.21982362    -11.18538791
  H     15.40834482     11.99460837    -14.57694326
  O     14.82236225      6.81059248     -8.74187540
  H     16.98428281     10.67625912    -12.13334835
  H     15.19081602      8.01615595    -13.72814537
  O     13.66610279      5.38189678    -11.82136074
  H     17.53469490     10.56933765    -14.49366480
  H     14.15332733      8.92466250    -14.46738239
  O     14.08573254     10.06918188    -11.47044585
  H     16.12558736     10.20392066    -13.98348915
  H      9.59608162      7.91705102    -11.88519769
  O     16.46442835      8.88087502    -16.95669837
  H     12.23905770      6.11891781    -15.39390005
  H     10.72692654      8.65750803    -12.63968859
  O     15.55779079      4.47982988     -9.91632228
  H     12.04416877      5.80427798    -16.89564011
  H     17.40122980      6.89354785    -10.52935359
  O     18.73944775      9.30633271    -15.24669817
  H     15.55266986      7.43123046     -8.85363520
  H     16.94909446      5.45600431    -10.82071692
  O     15.43373142      6.41382205    -16.24009952
  H     14.07095454      7.17892676     -9.22621848
  H     12.36219465      5.50742159    -13.13925511
  O     18.55369052      8.30277936    -12.70998776
  H     13.41573653      6.20410818    -11.37364991
  H     11.21608066      6.52002560    -13.26779587
  O     14.54108536     12.26950930    -14.90487691
  H     14.23409920      4.89773228    -11.21079486
  H     17.10275423      9.08416291     -9.96466814
  O     14.85076323      8.91693971    -13.80053016
  H     14.31787705      9.60333023    -12.29249601
  H     17.83646919      8.59850740     -8.69731393
  O     10.52357099      7.87090177    -12.10066978
  H     13.61231158     10.86201479    -11.74878723
  H     15.21732711     10.03145552    -17.17567800
  O     17.46798990      6.18439087    -11.18351257
  H     16.13287554      7.99042806    -16.76528165
  H     14.44872437     10.92956049    -18.17440310
  O     11.71543045      5.86078395    -13.76413732
  H     17.27242856      8.98650481    -16.44409318
  H     13.28772325      8.59530187    -10.79291796
  O     17.17835710      8.34405229     -9.34024958
  H     15.28467022      5.26098015     -9.40013487
  H     11.99286076      7.77078756    -10.95578726
  O     14.45482476     10.63336556    -17.26863000
  H     15.58909085      3.74383113     -9.31144239
  H     12.52461767     13.07652494    -12.61551103
  O     12.86955220      7.75659565    -10.55076621
  H     19.65385019      9.35042576    -15.51362293
  H     13.39724556     12.24852870    -13.58520539
  O     12.79955212     12.18655522    -12.81842830
  H     18.72377076      8.85369827    -14.38532159
  H     13.26763737      9.57202039    -16.35450813
  O     12.78817603      9.04913268    -15.69880956
  H     14.47960355      6.30104294    -16.32198430
  H     12.69103592      8.14746432    -16.03114391
          69
 Energy    -249.80428479233748     
  O     11.52512029      8.13215426     -9.74344390
  H     10.82250269      8.48167924     -9.20276609
  H     17.84569335      7.38663517    -16.07883932
  O     14.02914953      7.17215731    -15.20157362
  H     11.11131048      7.76926262    -10.54842825
  H     15.20865936     11.94336751    -14.98875814
  O     18.27346337     10.47324764    -11.77250097
  H     14.67666583      7.80507308    -14.84834700
  H     13.71709930     11.84172152    -14.63681888
  O     16.27106878     10.90633658    -16.14170510
  H     14.23210413      7.09025846    -16.14015137
  H     16.70395727      8.28575108    -14.13350177
  O     12.14557471      8.68498756    -13.87098209
  H     18.61469549     11.11629420    -11.15603706
  H     15.85767413      9.43861474    -13.48662133
  O     14.49923406      5.24700708    -13.30692100
  H     17.32623447     10.66522296    -11.87996720
  H     14.03609208      6.15069779    -10.01092798
  O     15.60135403     10.76696994    -12.20610572
  H     16.17532727     10.15273915    -15.53912629
  H     12.64308604      6.58261821     -9.51048247
  O     13.98058284     10.00444224    -17.43643130
  H     17.17622114     10.86753614    -16.46905771
  H     17.08836686      7.42060331    -11.27391200
  O     16.98944139      4.55222929    -14.29719306
  H     12.06710706      9.49356447    -14.39266325
  H     18.11277215      8.58333429    -11.42542277
  O     18.91777356     10.27101606    -16.81416245
  H     12.70359425      8.08632104    -14.38751963
  H     11.74818010      3.77147830    -11.69375380
  O     15.03140902      7.34458197    -17.80665273
  H     13.67784357      4.93862576    -12.90575178
  H     12.50704997      4.95549849    -11.04661412
  O     17.60621791      7.71449943    -16.95264033
  H     14.26544917      5.86016981    -14.02028105
  H     19.18425138      8.64271176    -14.22321187
  O     14.56166901     12.16791015    -14.30525473
  H     14.86133146     10.29888100    -11.79682318
  H     19.10045014      9.96085030    -13.43003962
  O     15.93474452      8.85671129    -14.25216810
  H     15.23199674     11.37136770    -12.86911740
  H     18.17307279      7.18018191    -13.17826036
  O     13.19590786      5.80871140     -9.67717559
  H     14.79985574     10.41834473    -17.12825377
  H     17.79880713      6.13586330    -14.25976593
  O     18.00197087      7.62967917    -11.51526764
  H     14.22659188      9.10275822    -17.66956223
  H     11.57803780     11.44584464    -15.96534221
  O     12.15723844      4.61075426    -11.88835934
  H     16.10174044      4.68192961    -13.92738257
  H     12.81525938     10.56806734    -16.26372544
  O     19.42969173      9.57599818    -14.25122951
  H     17.23587477      3.65455252    -14.08822614
  H     14.71168402      7.73868731    -11.31516011
  O     18.11445434      7.04277603    -14.13924475
  H     19.68929059     10.61931849    -17.25177390
  H     15.10335746      6.37296237    -11.93925579
  O     12.25540444     10.91986295    -15.54793599
  H     19.17154227     10.09860024    -15.88892854
  H     12.87242838      8.93078079    -10.77412294
  O     15.29213713      6.97308505    -11.20494036
  H     15.04821320      6.78825495    -18.58076791
  H     13.04570308      9.02403386    -12.31221046
  O     13.50912694      9.13515520    -11.46945558
  H     15.95799390      7.46869711    -17.53455587
  H     11.09049080      6.20826433    -12.15860205
  O     10.67184586      7.07510345    -12.09324123
  H     18.06209509      8.55980924    -17.04771563
  H     11.05538517      7.62059225    -12.79388397
          69
 Energy    -249.80422682243346     
  O     17.74874516      9.71856841     -9.91031012
  H     18.14444356     10.16255127     -9.15195439
  H     15.23522754      6.81195680     -6.26139008
  O     14.17323284      4.81825232     -8.62721806
  H     17.32531947      8.91881104     -9.55181709
  H     17.56424732      5.53401942    -15.10155655
  O     18.63104085     10.50630115     -7.37029698
  H     13.40419349      5.34539505     -8.86857253
  H     17.63062591      5.98898011    -13.62747457
  O     12.23652944      6.63857424     -9.82260792
  H     14.76222012      4.89037235     -9.39206856
  H     16.54538414      5.68370278    -11.22837249
  O     15.34349819     10.13083165    -11.19367362
  H     19.01720093     11.25225141     -6.91955964
  H     15.11313458      6.30757721    -11.20708805
  O     19.42609238      8.37812192    -11.63675598
  H     17.69346253     10.47482796     -7.10603924
  H     18.79960685      8.81248602    -13.32017202
  O     21.27236584      7.32417119     -9.79792133
  H     12.79582171      7.00947326    -10.52535423
  H     18.03065954      8.02453167    -14.40131906
  O     18.20230148      5.88032198    -11.94163279
  H     11.41301174      6.38803414    -10.23427161
  H     15.94904907     11.01524364    -14.56624434
  O     15.99568726     10.35876138     -6.80646992
  H     16.21649436     10.05691075    -10.77970824
  H     16.83242781      9.87815623    -14.00030561
  O     13.99454013     10.79687621     -8.87379040
  H     15.49443438     10.29029320    -12.13397498
  H     15.94742134      7.64906957     -8.12169495
  O     12.80887061      8.44033170     -7.72035106
  H     18.87155713      8.91910223    -11.05581974
  H     16.13892096      6.88646133     -9.48688182
  O     15.12689328      7.74369092     -6.48069381
  H     20.15926558      8.05683120    -11.09679506
  H     19.52308933      8.80269419     -7.37411544
  O     17.31066621      6.23872976    -14.51064642
  H     20.87071650      7.60314081     -8.95486242
  H     19.41766474      7.25341180     -7.27995976
  O     15.69408815      5.66817287    -10.77249108
  H     22.21714910      7.34491702     -9.67216365
  H     15.38879596      4.26603985     -5.73851993
  O     18.26799155      8.91692288    -14.12133365
  H     18.55699280      6.77798050    -11.87526308
  H     15.09768242      4.84370874     -7.14252363
  O     15.95953938     10.30605261    -13.92902127
  H     18.66539519      5.37270504    -11.25883114
  H     14.14534337      7.60145711    -12.62856044
  O     16.51194588      7.55685827     -8.90094729
  H     15.34406533     10.60733756     -7.47145085
  H     14.42384550      8.50248941    -11.40135346
  O     20.01477371      7.98194980     -7.49432489
  H     15.73680473      9.47514334     -6.50780433
  H     19.12550079      5.08840245     -8.94949150
  O     15.64128103      4.95951669     -6.34211273
  H     13.52753830     11.62272751     -8.98093168
  H     20.27775685      5.64863485     -9.79760005
  O     13.99255329      7.68308689    -11.67483157
  H     14.42565633     10.61211088     -9.72331486
  H     17.68098161      6.47064532     -8.03904900
  O     19.59769852      4.96365335     -9.78288171
  H     12.51950370      7.85258734     -8.42915577
  H     17.46118735      5.40590799     -6.96495930
  O     18.15307297      5.83723860     -7.47723765
  H     13.10834536      9.25548919     -8.14198442
  H     15.13827570      8.58376557    -14.28273239
  O     14.82939508      7.66919632    -14.26238378
  H     14.22279937      7.88629470     -6.80526306
  H     15.61141307      7.12215353    -14.40815221
          69
 Energy    -249.80362170725763     
  O     10.61677819     11.81304438    -10.08278214
  H     10.75368509     10.96575231     -9.64176550
  H     10.65935380      8.86334552     -8.14948289
  O     13.26593005      9.16538788    -17.90622286
  H     10.38486547     11.61924860    -10.99862218
  H     11.67027807     12.26534215    -13.11408874
  O     12.46940823      8.65412091    -11.19230639
  H     12.55257848      8.90552675    -18.48368618
  H     13.07312446     12.00055042    -12.50975339
  O     13.74579535      9.32416037    -15.20462616
  H     13.37695506     10.12325741    -18.02993389
  H     16.36867293      9.56291662    -13.00807239
  O     14.23114883     12.22482223     -8.91400169
  H     11.94282922      8.74813957    -10.39029768
  H     16.68464836     11.09552024    -13.10120167
  O     13.62129348     11.90327917    -17.91117575
  H     12.99836328      9.46467833    -11.26720879
  H     16.18664549      7.46045678    -14.46632049
  O     11.34496076      9.10999496    -13.67796583
  H     13.94915244     10.26788171    -15.15274139
  H     14.99687409      8.43856051    -14.34555071
  O     15.92632644      8.24189539     -8.88402758
  H     13.56258810      9.13321668    -16.13606940
  H     13.10253850     14.11478811    -12.24400776
  O     14.00721053     10.94439946    -11.40274426
  H     15.09884794     12.64654661     -8.94711117
  H     12.99180519     14.61956052    -10.80220131
  O     13.69266846      9.71068939     -7.87726349
  H     13.55071977     12.90876831     -8.95642305
  H     15.21515893      7.44941155    -12.10278042
  O     16.14283487     14.05798269    -11.84148100
  H     13.85576800     12.05485307    -16.98115719
  H     13.98245336      7.62823416    -11.19775671
  O     11.18873363      9.32895132     -8.79066319
  H     13.54229836     12.76709888    -18.30687424
  H     17.51005137     13.07809787    -14.45534389
  O     12.58669034     12.56351194    -13.13303369
  H     11.67844618      8.80126333    -12.82279002
  H     16.53319149     13.22515185    -13.26150751
  O     16.53406976     10.36164350    -12.49200882
  H     12.11350671      9.15160424    -14.25927385
  H     10.47237891     10.51777862    -13.18928218
  O     15.74068380      8.04452566    -13.85816388
  H     16.32674570      7.51481403     -8.41403515
  H      9.22981298     11.43488626    -13.28959035
  O     13.47726794     14.75529115    -11.62389372
  H     15.58957434      7.87761018     -9.72194901
  H     17.53218493     13.44804393     -8.66524794
  O     14.89265790      7.29833985    -11.20793074
  H     14.89163425     10.74750386    -11.73582870
  H     17.10700585     12.16420764     -9.42125878
  O     16.74392600     12.68473317    -14.04729654
  H     14.10313095     11.38003221    -10.54571478
  H     13.62337016     12.34150329    -14.55278537
  O     10.07521140     11.34435491    -12.85894605
  H     13.90853297     10.62126391     -8.12489218
  H     15.14327786     12.32318112    -14.89034492
  O     16.86474258     13.09259348     -9.24523265
  H     14.44029042      9.17325982     -8.16411905
  H     17.19286470     10.42491535    -10.78994579
  O     14.27092268     12.08288535    -15.22542504
  H     15.23525933     14.38380885    -11.74832401
  H     16.91376889      9.75831457     -9.42977664
  O     17.35231931     10.51334083     -9.83972265
  H     16.43455121     13.79267624    -10.96281618
  H     11.52662988     14.47437968     -8.68147036
  O     12.06372162     13.94632172     -9.26554804
  H     12.07327834      9.44469027     -8.39633468
  H     11.50410532     13.20879423     -9.57100903
          69
 Ord_Energy   -249.803497    
 O    4.76204062       1.01974452       7.98991108    
 H    5.22830296       1.22949374       7.17183065    
 H    5.06553173       1.63883066       8.66443348    
 O    4.78854132      -2.27067590       10.2769022    
 H    5.54680490      -1.81112933       10.6588573    
 H    4.93750858      -2.26572824       9.32298851    
 O    5.40435076       2.87403321       9.94890976    
 H    4.65073442       3.44274664       9.73933506    
 H    5.14811230       2.31472874       10.6934776    
 O    6.79146242     -0.503556430       11.3281860    
 H    6.07988310       9.76290181E-02   11.6028624    
 H    7.34887981     -0.626943886       12.0935650    
 O    6.18854141       1.28924859       5.55818272    
 H    6.70449734      0.490002185       5.71857548    
 H    5.35574961       1.04874146       5.12193108    
 O    2.63230085     -0.636026442       10.7338276    
 H    2.39579248     -0.385445774       9.82974529    
 H    3.29980707      -1.33378971       10.6587934    
 O    4.15491152       4.55172920       6.55315876    
 H    5.10498905       4.40416384       6.47917175    
 H    3.94776416       4.63618183       7.49237108    
 O    1.19128799       2.69938731       7.99639988    
 H    1.37234294       2.90962625       7.07230234    
 H    1.42084718       1.76320338       8.09052086    
 O    2.20298648       3.10426950       5.37809181    
 H    2.93218350       3.64018178       5.74137831    
 H    1.81710970       3.61445642       4.67021608    
 O    7.64083529     -0.993228734       6.42381144    
 H    7.85619974     -0.606010854       7.29499388    
 H    8.43664265      -1.40471077       6.10007429    
 O    5.16364765      -1.68844020       7.51664257    
 H    6.02595854      -1.68715000       7.08359623    
 H    5.04064703     -0.777765155       7.82840681    
 O    2.81156516      -1.66370082       6.07480288    
 H    3.65442681      -1.79723227       6.54152060    
 H    2.53549838      -2.51777935       5.75279808    
 O   0.742477000      0.819572866       12.1005173    
 H    1.37630987      0.229761437       11.6598797    
 H   0.164266229      0.260992616       12.6146297    
 O    2.72768378       2.67463279       13.0735703    
 H    2.50594521       3.51509929       12.6554737    
 H    1.98823678       2.08492327       12.8778496    
 O    2.19474125      0.156498685       8.12328243    
 H    3.07882786      0.558303118       8.06579590    
 H    2.16312242     -0.512081087       7.42998838    
 O    1.77364111       4.94135523       11.5678062    
 H    1.07060647       4.35505486       11.2318039    
 H    1.34452713       5.72205877       11.9073095    
 O    6.88705587       3.85311127       6.13818359    
 H    7.42736626       4.24587774       5.45688200    
 H    6.68950367       2.94438267       5.85050583    
 O    3.17215538       4.32195520       9.20764160    
 H    2.50040102       3.74722743       8.81426239    
 H    2.78046632       4.68440628       10.0117188    
 O    7.86300802       2.86982203       8.66195965    
 H    7.07845259       2.98358870       9.21779251    
 H    7.64511395       3.29478502       7.82511568    
 O    3.84034812E-02   3.12590885       10.5463495    
 H   0.184961215       2.29299092       11.0120850    
 H   0.274706990       2.97554636       9.62137032    
 O    3.67170811      0.729195237       4.68551636    
 H    3.09650922       1.46922636       4.91833830    
 H    3.27855396      -6.54574186E-02   5.06320620    
 O    8.08841324      0.123404451       8.81104851    
 H    7.67904043     -0.103053823       9.65227699    
 H    8.10160255       1.09158802       8.76108932    
 O    4.57879305       1.06090856       11.8804693    
 H    3.93604541      0.479731798       11.4517422    
 H    4.06143570       1.66766310       12.4302979    
          69
 Energy    -249.80335418917934     
  O     -2.09131268     -1.87022371     -1.87191881
  H     -2.37805167     -0.98515083     -1.62173115
  H     -3.77376159     -1.07166793     -6.16116701
  O     -0.16815013      1.85612577     -1.43563092
  H     -1.23237629     -1.77795696     -2.31491051
  H      1.21946231     -3.14509691     -2.76972664
  O      1.33783112     -3.16019964      0.17503068
  H     -0.38633528      2.30184617     -2.26350889
  H      1.39964891     -4.68154964     -2.59186489
  O     -2.95261376      0.86694774     -3.82556169
  H      0.60783615      1.31205707     -1.63710637
  H     -1.25958520     -1.24762518     -5.83527661
  O      0.31493697     -6.19205314     -2.66731786
  H      1.63744591     -3.44485807     -0.69775425
  H      0.09463399     -1.93605928     -6.22894131
  O     -1.40011898     -3.17198098      0.40722295
  H      1.81311584     -2.34393806      0.36658948
  H      0.11938113     -1.43856381     -4.07045510
  O      3.50837484     -0.05944682     -4.31566342
  H     -3.08083009      0.84897921     -2.87027131
  H      0.83901010     -0.96476529     -2.76024058
  O      2.58382820     -0.61279283      0.60193160
  H     -2.24559710      1.50615763     -3.97973784
  H     -1.80082032      1.11174679     -1.10245685
  O      1.09511459      1.18877298     -5.32497896
  H     -0.49150274     -5.92931671     -2.18829915
  H     -2.63238292      0.31427232     -0.07034321
  O      1.98293010      0.20537146     -2.00125046
  H      0.50069181     -7.09350812     -2.41986775
  H      1.06981016     -3.97954254     -7.42178649
  O     -0.75879611      2.69475088     -4.05629471
  H     -0.43102693     -3.22450947      0.40227092
  H      0.38831013     -4.04175713     -6.03222372
  O     -3.09837269     -1.27335910     -5.51826031
  H     -1.65835645     -2.72908690     -0.41773865
  H     -2.66970708     -3.00511775     -3.06206716
  O      1.85969131     -3.83462731     -2.53306976
  H      3.37318956     -1.00306566     -4.51702567
  H     -3.12088747     -2.97737294     -4.50892782
  O     -0.29979293     -1.14287869     -5.84288974
  H      4.39526962      0.15410422     -4.59245537
  H     -1.44785437     -4.45770537     -4.60248287
  O      0.26315230     -1.64261354     -3.13838740
  H      1.79639638     -0.11563990      0.88989722
  H     -0.29779231     -5.43430886     -4.28038054
  O     -2.65777127      0.68000618     -0.96288975
  H      3.26643986     -0.44679991      1.24638373
  H     -2.47534603     -4.83796372     -2.18790889
  O      0.96549824     -3.50142169     -6.60393264
  H      1.95317190      0.86176030     -5.03498872
  H     -1.87340251     -4.68257941     -0.76394801
  O     -2.88754943     -3.59190308     -3.80396711
  H      0.60590358      0.41181925     -5.63326380
  H     -1.86589700     -1.61970518      1.21908292
  O     -0.66093437     -4.87502806     -4.97699976
  H      2.65001735      0.16725532     -2.69843436
  H     -2.60564032     -0.80967940      2.30374366
  O     -1.96401049     -5.29050489     -1.50828092
  H      2.36064478     -0.12444655     -1.17565581
  H      2.43440153     -2.97394516     -5.48118116
  O     -2.09729431     -0.71927448      1.50131111
  H     -0.80052025      3.55256278     -4.47050106
  H      2.81649815     -3.16720735     -4.00287558
  O      3.06119411     -2.68797189     -4.80645387
  H     -0.06231885      2.19385680     -4.51797888
  H     -0.48162494      0.27796116      1.35838223
  O      0.32266062      0.77500422      1.16485908
  H     -3.08944553     -0.53032117     -4.88807021
  H      0.12437973      1.32215562      0.39431002
          69
 Energy    -249.80308806454360     
  O     11.71783612     10.97746841    -11.43362740
  H     11.15755757     10.35916825    -11.92007095
  H     14.62496237      6.86983291    -17.59285542
  O     13.56135584      7.58333956    -14.84697650
  H     12.25473359     11.42633783    -12.09725494
  H     16.92569569      5.66812911    -14.99206404
  O     17.91786834     10.48523850    -11.07799705
  H     13.78228689      7.00609733    -15.59002484
  H     17.66526730      4.82472478    -16.05284979
  O     17.47218220      8.19928332    -17.05944611
  H     14.38292262      7.99146651    -14.53726314
  H     15.96462992     12.96411220    -15.83676060
  O     12.02051843      9.81980828    -15.06048982
  H     17.94025284      9.75600024    -10.44613344
  H     16.32126848     11.51039222    -15.45517648
  O     15.28033629      7.10276437     -9.62794591
  H     16.98305851     10.61272810    -11.29294862
  H     15.64793926      9.22284091    -13.02814721
  O     12.54686939      7.04141703    -12.36999132
  H     16.69538648      8.29965547    -17.62520616
  H     16.41918230      9.15312792    -14.37113562
  O     15.23683020     10.44901890    -11.79027778
  H     17.42890715      7.30475214    -16.70153584
  H     19.05531361      7.92817905    -12.55245254
  O     15.04494623      8.47233492    -18.50363892
  H     11.29234020      9.61145632    -14.46589431
  H     18.14744010      6.67508987    -12.47016957
  O     14.56147205      5.25344061    -11.43680347
  H     12.56362094      9.01475964    -15.08067208
  H     18.87261212     10.08090897    -12.46273553
  O     17.55395640     10.24849096    -15.29988326
  H     16.16511214      7.48298544     -9.57021414
  H     20.26223210     10.06379800    -13.14538861
  O     14.47053973      6.14061068    -16.97740611
  H     14.65237309      7.83384275     -9.69571229
  H     16.32462347      6.99387768    -13.41948407
  O     17.08867352      5.57724418    -15.94517732
  H     12.86660614      7.18641836    -13.27466329
  H     15.90124015      5.68410793    -12.70339958
  O     15.58379101     12.13631706    -15.55340728
  H     13.08935022      6.32498355    -12.02045104
  H     18.56923585      7.80757757     -8.90903682
  O     15.84862069      8.64906949    -13.77922943
  H     14.64328384      9.94660094    -11.21632443
  H     18.31328819      7.66385281    -10.42860529
  O     18.85466129      7.15165845    -12.01647755
  H     14.67532558     10.96978532    -12.38075294
  H     13.08710195     10.34615743    -16.56111340
  O     19.36704168      9.74622002    -13.23384937
  H     14.90034139      8.62261652    -19.43416218
  H     14.42556435     11.10491138    -16.66767550
  O     16.57059400      6.06430974    -13.28379923
  H     14.59290963      9.19411271    -18.03233937
  H     12.73884525      9.72134395    -10.56940363
  O     17.95971446      8.04304609     -9.60405363
  H     14.45308051      4.40134205    -11.02273728
  H     13.06686408      8.30130933    -11.07595448
  O     13.84668693     10.49300166    -17.13785553
  H     14.85244607      5.87067366    -10.73930320
  H     14.22848933     11.98260517    -14.23265405
  O     13.33278595      8.96936789    -10.42918472
  H     17.63130257      9.56395970    -15.98457366
  H     13.00666420     11.05224650    -14.11185347
  O     13.55175850     11.67908475    -13.61481519
  H     18.26013565     10.11733200    -14.65392967
  H      9.57512254      8.45261167    -12.75890849
  O     10.44349108      8.82996544    -12.87872871
  H     15.34320427      5.83418073    -16.70130284
  H     11.08029055      8.13364421    -12.65097122
          69
 Energy    -249.80308776028050     
  O     11.65867282     10.08174956    -10.89361123
  H     11.18519578      9.35521529    -11.31880779
  H     14.55481057      6.66151745    -17.46434239
  O     13.72712255      7.14445498    -14.58996749
  H     11.99730133     10.63188493    -11.60972704
  H     17.37477939      5.99389227    -15.20513654
  O     17.81408496     10.93146713    -11.34041916
  H     13.96821473      6.62423020    -15.36802958
  H     18.13383284      5.32319555    -16.37028536
  O     17.09774864      8.57281656    -17.26706113
  H     14.47577443      7.72068667    -14.37797526
  H     14.78005689     12.91006812    -15.75444689
  O     11.73063020      8.99763558    -14.55489360
  H     18.07274235     10.22717566    -10.73328441
  H     15.48450212     11.56845772    -15.45454941
  O     16.16783934      7.06981573     -9.64405040
  H     16.85384066     10.85460699    -11.43178657
  H     15.63317956      9.20215537    -13.01428015
  O     13.17987194      6.41021666    -12.01710208
  H     16.25105295      8.50155311    -17.72706018
  H     16.22165070      9.29250340    -14.44565562
  O     15.13339095     10.31800077    -11.70662471
  H     17.29266507      7.69160708    -16.92700277
  H     19.27046015      8.67010358    -13.00529265
  O     14.50245345      8.31216580    -18.38440445
  H     11.14651422      8.64104491    -13.87750796
  H     18.66890865      7.25201783    -12.83677356
  O     15.63244657      5.10026560    -11.38845734
  H     12.42561118      8.32759577    -14.66225584
  H     11.49047097      7.16124108    -12.08446395
  O     16.96730334     10.60082743    -15.48601448
  H     16.95111685      7.63109054     -9.69067364
  H      9.95082598      7.14947646    -11.99328044
  O     14.64008851      5.91927626    -16.85099134
  H     15.39511118      7.64898805     -9.61480201
  H     18.64624852     10.73412872    -12.84412294
  O     17.42892484      5.93518978    -16.17305698
  H     13.34183339      6.61579253    -12.95155307
  H     19.90760290     11.01171101    -13.69811261
  O     14.62420524     12.02132148    -15.44393467
  H     13.90310392      5.82850436    -11.75576748
  H     16.71311243      7.16801585    -13.53910282
  O     15.85290225      8.68090626    -13.79762821
  H     14.73974274      9.70296348    -11.07344752
  H     16.67469110      5.80158185    -12.80499528
  O     19.31081047      7.87135148    -12.46595911
  H     14.40238013     10.70333220    -12.20890558
  H     19.29556272      8.46665194     -9.33333471
  O     10.69590803      7.70371916    -12.21347293
  H     14.21024519      8.42328789    -19.28531010
  H     18.88223776      8.26368378    -10.81090503
  O     19.09691203     10.50924420    -13.67924147
  H     13.97168818      8.92267822    -17.84312111
  H     12.45773192      9.73273687    -16.16655188
  O     17.16696322      6.31344461    -13.45700643
  H     15.76233630      4.24684366    -10.98341231
  H     13.57853026     10.76010549    -16.42512534
  O     18.56539232      8.56248917     -9.93969322
  H     15.87267146      5.76902969    -10.71973194
  H     13.02684314      9.07809607    -10.19498868
  O     13.08762763     10.03601317    -16.83169845
  H     17.09973599      9.94530710    -16.19037190
  H     13.58185780      7.75882195    -10.77132301
  O     13.78044775      8.47161124    -10.14856969
  H     17.76253767     10.62732592    -14.93825031
  H     13.51479783     11.58746637    -13.96544832
  O     13.00380695     11.14913307    -13.27366830
  H     15.58617204      5.80834403    -16.69511047
  H     12.54537385     10.41753769    -13.71151203
          69
 Energy    -249.80273892657885     
  O     17.08821864     11.38625103    -15.13894619
  H     16.26351688     11.86952129    -15.01718556
  H     15.81019358     12.54693239    -11.25522468
  O     15.54060448      7.20971481    -10.88019186
  H     17.36112757     11.11311777    -14.25170462
  H     15.09362256      8.73459202    -11.69152921
  O     11.74922807      8.37742476    -13.27397955
  H     14.61273626      6.93383535    -10.86937831
  H     14.37745173     10.11589974    -11.56274123
  O     13.16461117     11.13107843    -10.57402422
  H     15.92003725      6.85490263    -11.69738458
  H     17.38646852      9.93599580    -16.04658184
  O     13.73641360      5.58839343    -16.27277775
  H     12.33811162      8.92913019    -13.80453383
  H     18.06747961      9.19622417    -17.22314371
  O     16.26724247      6.39501273    -13.43291317
  H     11.56562971      7.56893362    -13.77594719
  H     12.57120986      5.12613760    -11.83573037
  O     13.71085484      9.92516695    -14.52378198
  H     13.28964211     10.83711807     -9.66199413
  H     12.01253994      3.68732835    -11.76181544
  O     16.00698822      9.27650465     -8.97175252
  H     12.28890855     10.83038548    -10.84679974
  H     17.89363605      7.30436336    -13.69712085
  O     14.76978045      4.15918150    -13.99289965
  H     13.79667657      5.39751733    -17.20531297
  H     18.33675657      8.26132616    -14.82139317
  O     13.57656249      9.96976761     -8.05201265
  H     14.25503378      6.39580292    -16.11758197
  H      9.83436293     10.24558965    -11.50486137
  O     11.63285708      8.21032300     -9.17609122
  H     15.87473586      6.95185497    -14.11750996
  H     10.99637782      9.37260861    -12.03230871
  O     15.03083592     12.84078079    -11.74005077
  H     15.87473412      5.51829583    -13.55358479
  H     12.39358627      7.14830432    -10.38363071
  O     14.91134295      9.56514930    -12.14927105
  H     14.16447799      9.73792571    -13.68326647
  H     12.55292729      7.32202424    -11.91648664
  O     17.54252598      9.05781869    -16.43970651
  H     13.86514108     10.86295036    -14.68028056
  H     11.70619226      5.29724076    -13.83882147
  O     12.43036880      4.31244787    -12.34859494
  H     16.01113189      8.51076108     -9.56096896
  H     12.20303942      5.82544299    -15.19557289
  O     18.52238615      8.00788017    -13.90941377
  H     16.46216310      9.99658003     -9.42396624
  H     17.51229709     11.11398139    -11.12617049
  O     10.71214343      9.93858759    -11.29365806
  H     14.00889914      4.09851841    -13.40189520
  H     18.02064173     11.97106490     -9.94494632
  O     12.80683701      6.76297126    -11.17045999
  H     14.42263138      4.49246801    -14.82988362
  H     14.62145592      8.58970308    -15.35098637
  O     11.53077045      5.96225775    -14.51609471
  H     14.47117847      9.68034452     -8.30867816
  H     15.97958799      8.21383494    -16.00896891
  O     17.23847897     11.55985506    -10.30499420
  H     13.63551071     10.28524017     -7.15454472
  H     14.30354741     13.47303013    -14.75432071
  O     15.16596743      7.84503904    -15.64070835
  H     12.26814250      8.75145407     -8.68996979
  H     14.77638810     12.72953118    -13.48752234
  O     14.60520157     12.62453640    -14.44017688
  H     11.17919632      8.81245997     -9.77929456
  H     16.62653940     10.00881249    -12.52460428
  O     17.56379198     10.23249914    -12.62943126
  H     14.28391948     12.41261402    -11.29819584
  H     18.00977335      9.44758770    -12.97905979
          69
 Energy    -249.80245789426644     
  O      2.54897774      0.79707590      3.57447196
  H      2.69138649     -0.15279111      3.65387598
  H     -2.55709180     -3.33181557      3.34539256
  O      2.57756862      2.24338593      1.26566210
  H      1.76415990      1.00455524      4.10036715
  H     -2.11674422      0.63959448      0.31894649
  O     -1.59083793     -2.13132678      4.41948291
  H      3.31515848      2.84632855      1.31257166
  H     -2.69811871     -0.75171086      0.72958595
  O      0.20564455     -3.35319275     -2.78659358
  H      2.59191920      1.72342592      2.08846134
  H     -2.62185386     -2.26898499     -1.56427835
  O     -1.63388514      0.33240797     -3.35955394
  H     -1.99303889     -1.45089244      4.96977121
  H     -1.60544055     -2.66705172     -2.65360675
  O      1.00059666     -0.78536639     -3.08894642
  H     -1.16208317     -1.65200069      3.69375163
  H     -0.19352398      0.19550325      3.15286767
  O     -1.40302776      3.27330264      3.42756347
  H      0.53277959     -3.88810323     -3.50458173
  H     -1.15781074     -0.19117403      1.98233217
  O     -0.93502486      1.31442214     -0.84136826
  H      0.56414251     -2.45651027     -2.91736724
  H      0.17330118     -3.62630157     -0.97515064
  O      1.69382916      0.36046699     -0.61396268
  H     -2.15641084      0.61368645     -4.10527446
  H      0.68014648     -2.99301078      0.36183185
  O     -3.65241639      1.39140615      3.22293082
  H     -1.99053800     -0.52719774     -3.07075655
  H      0.46580266     -4.28402822      3.52538955
  O     -0.34979878     -5.30949553      2.12513005
  H      0.19062414     -0.30684398     -3.30478334
  H     -0.02997610     -3.17499117      4.46394798
  O     -2.84220972     -3.92410305      2.63633740
  H      1.37431606     -0.34789977     -2.31211484
  H      2.25182785     -1.92608004      1.87282681
  O     -2.63555268      0.17783168      0.99367062
  H     -0.98946400      3.37286990      2.55523709
  H      0.87624706     -1.27985870      1.64015625
  O     -2.38811395     -2.12626952     -2.49056885
  H     -2.23058788      2.80235312      3.28922095
  H     -0.68972442      0.89190240      5.16208417
  O     -0.40851963     -0.49298045      2.51000635
  H     -0.04136731      0.95318846     -0.75228178
  H     -0.38539935      2.09833926      4.25559219
  O      0.06040581     -3.63465948     -0.01682363
  H     -1.22749978      1.11093049     -1.73817585
  H     -2.96676293      0.66606603      4.77680663
  O      0.76680659     -3.64131274      4.17897095
  H      2.08642963      1.07057044     -0.09043366
  H     -3.02828207      0.59282090      6.31758980
  O      1.60785580     -1.72914449      1.18359949
  H      1.73570249     -0.42767890     -0.05366490
  H      2.17023988     -2.64124083      3.88003936
  O      0.00614395      1.29257870      4.63177183
  H     -3.34886596      0.95363205      2.40951188
  H      3.70120289     -2.47769434      4.01060955
  O     -2.54604972      0.27355286      5.55856036
  H     -4.54230405      1.69017889      3.05066530
  H     -1.60864086     -2.81348431      0.17094462
  O      2.92552180     -2.08271871      3.62167994
  H     -0.19201306     -4.79098146      1.31834328
  H     -2.82845215     -2.98504787      1.08515375
  O     -2.51091335     -2.49654029      0.31190895
  H     -0.21656752     -6.22512108      1.89277862
  H     -0.45970609      2.75019595      0.29807337
  O     -0.09638175      3.29183473      1.00917678
  H     -2.10836562     -4.53910979      2.51718632
  H      0.82118998      3.01214191      1.11225996
          69
 Energy    -249.80244572878138     
  O     -5.94180228      2.67870962      0.27876492
  H     -5.03718570      2.96713852      0.09119634
  H     -5.79590173     -0.79099076      3.92247617
  O     -5.31106055      2.34294008     -4.23652444
  H     -6.06364979      2.78715197      1.23002165
  H     -0.58089659      1.40199590      5.43406022
  O     -6.00747485      2.70538648      3.10788018
  H     -5.99837696      2.46200965     -3.55649759
  H     -0.91980302      0.47252754      4.24355145
  O     -3.09331732     -2.32053612      2.72208619
  H     -5.59144933      2.83350253     -5.00401810
  H     -0.27086444      2.31777273      3.06999091
  O     -4.01147282     -1.41041927      0.18223497
  H     -6.20939137      3.40446352      3.72495537
  H      0.20208914      1.70907649      1.74412779
  O     -5.29542336     -0.48433898     -3.66633671
  H     -5.16658082      2.31214265      3.39682484
  H     -3.10837916      2.34943480      0.34912349
  O     -6.45099779     -0.09223378      0.20787784
  H     -3.79926982     -2.00762473      3.29976990
  H     -2.42913625      3.68113683     -0.03751677
  O     -2.83335319     -0.55950269     -2.21225492
  H     -3.40222386     -2.17353874      1.81903568
  H     -1.13176952      0.37641244      1.00147983
  O     -3.00157954      2.18243149     -2.68962232
  H     -3.62203636     -1.23520852     -0.68552387
  H     -0.06419288     -0.14887625      0.00574744
  O     -0.74124245     -1.02225023      3.42427687
  H     -4.91265959     -1.05770590      0.16987855
  H     -8.28694268     -0.96280919     -2.68180330
  O     -0.00811194     -0.36796858     -1.85892820
  H     -5.22996427      0.41736813     -4.00548179
  H     -6.80909790     -0.51414459     -2.80088955
  O     -5.02755770     -1.08744206      4.44235021
  H     -4.44574803     -0.68125214     -3.25322278
  H     -4.09050114      0.48277252      4.16935395
  O     -1.06428885      1.36479324      4.61332346
  H     -6.22505074      0.84849278      0.19050704
  H     -2.84347943      1.42644012      4.23228269
  O      0.11345531      2.54929005      2.21834888
  H     -6.94756158     -0.27814471     -0.59887528
  H     -6.86132402      0.95079350      3.05601852
  O     -3.25045607      3.18366358     -0.12904521
  H     -1.88242013     -0.70511041     -2.14588589
  H     -6.91547334     -0.16159058      1.99581695
  O     -0.20073733      0.11617571      0.92119622
  H     -2.93295081      0.39428370     -2.35180326
  H     -3.28747223      0.05797783      0.90762608
  O     -7.63046533     -0.39350795     -2.29049317
  H     -3.18346514      2.59654438     -1.83362702
  H     -3.14894446      0.98532343      2.15323525
  O     -3.73968279      1.33731679      3.88112244
  H     -3.75433545      2.34832061     -3.26907494
  H     -0.34504872      3.61688176      0.92177587
  O     -6.99822863      0.00240191      2.94553221
  H     -0.37114238     -0.78808996      2.56323852
  H     -0.16084118      4.96206620      0.18289004
  O     -2.87643127      0.86930722      1.23544854
  H     -1.52535443     -1.55748195      3.23278778
  H     -6.84304116      2.63815220     -1.37598882
  O     -0.61945226      4.12728513      0.13898684
  H     -0.01684175      0.59914370     -1.98213157
  H     -7.49351981      1.53586985     -2.24537788
  O     -7.16599241      2.44384257     -2.26573180
  H      0.73243978     -0.70315730     -2.35726341
  H     -0.27454288      2.92947842     -1.37237079
  O     -0.27275013      2.32089116     -2.11965186
  H     -5.36920936     -1.54470125      5.20602684
  H     -1.16994467      2.34872377     -2.48216096
          69
 Energy    -249.80234578313457     
  O     17.48501931      9.71961258    -10.98464717
  H     17.92058535     10.03492037    -10.18236440
  H     14.62816738      8.16541636     -4.94923324
  O     13.90988611      4.56711515     -8.50173958
  H     18.07054501      9.10362509    -11.44807533
  H     16.00527684      5.27819222    -15.69089090
  O     18.49206991     10.33090157     -8.44301863
  H     14.20305285      4.92940772     -9.35396817
  H     15.31539881      6.36887045    -14.83613353
  O     12.78094019      7.03197996     -7.66913797
  H     13.59785821      3.68195441     -8.67261592
  H     14.09537350      6.42348203    -11.27489205
  O     14.96195048     10.08134681    -11.99766322
  H     19.00536175      9.50423312     -8.38490674
  H     15.23601733      6.54628659    -10.26107636
  O     18.80822299      7.72313315    -12.32226573
  H     19.05352269     11.02683436     -8.11139209
  H     18.11068102      8.25186538    -13.99973003
  O     20.88157490      6.66287582    -10.75092712
  H     13.07503166      6.14296061     -7.90188682
  H     17.17417547      7.48522110    -14.94937115
  O     17.04209929      5.53176255    -12.31089644
  H     13.40638682      7.36278397     -7.01250506
  H     15.41885633     10.62286557    -15.47818920
  O     11.75322281      8.58774525     -9.59596535
  H     15.01768610     10.18567852    -12.95515884
  H     16.18834180      9.47078101    -14.78833512
  O     15.89775617     10.05460931     -7.13206810
  H     15.87706039     10.01128528    -11.68494871
  H     16.61655156      8.41459960    -10.04238151
  O     14.15037005     10.08021812     -9.29480667
  H     19.61846852      7.44147698    -11.88065521
  H     15.37418627      8.48923107     -9.14945126
  O     14.77779309      7.91572237     -5.85809095
  H     18.19440531      6.97482319    -12.27912821
  H     20.29146074      7.62640734     -9.18840100
  O     16.14003854      5.86261273    -14.94986808
  H     21.74602664      6.28695822    -10.89120018
  H     19.17060306      7.28936883     -8.18874576
  O     14.73076833      5.89505426    -10.77475481
  H     20.27100889      5.91751622    -10.59695655
  H     15.48325261      6.16314071     -6.17083060
  O     17.53932058      8.36094388    -14.77031383
  H     16.77900650      5.52424490    -13.23988600
  H     15.16397635      4.95414874     -7.07342166
  O     15.35533387      9.97648674    -14.78042065
  H     16.22393730      5.57128430    -11.79793839
  H     12.56184439      8.08903045    -11.22201840
  O     16.04599947      7.88006029     -9.47467992
  H     10.84914941      8.81228136     -9.39416615
  H     13.82200277      8.61623365    -11.94440978
  O     19.80220047      7.97973571     -8.43707595
  H     12.06304997      7.99486495     -8.88640899
  H     18.52432194      5.13187775     -9.53843778
  O     15.80306793      5.29006237     -6.43304668
  H     15.26026557     10.28134521     -7.82435724
  H     18.30675825      4.86787997    -11.04761170
  O     13.17920021      7.89114424    -11.93677408
  H     16.77152073     10.12882010     -7.53215077
  H     17.22783443      5.71220420     -7.46947580
  O     18.96047630      4.80774887    -10.33988733
  H     14.39114561     10.26554362    -10.21227056
  H     17.17593424      6.75856750     -8.59516372
  O     17.75825005      6.11321916     -8.17030983
  H     13.27217818      9.68206929     -9.32560411
  H     13.54540715      7.51741854    -13.73653625
  O     13.98015569      7.46827145    -14.59785751
  H     15.23337965      8.66619184     -6.27609623
  H     14.32111956      8.35565564    -14.76772589
          69
 Energy    -249.80191620743318     
  O      0.40483412      1.50298280     -3.17824791
  H      0.22873954      2.28505065     -2.66060358
  H      1.74822011     -2.08525269     -3.52226150
  O     -0.57661799     -4.46847132     -5.46889091
  H      0.15908683      1.71442148     -4.09702634
  H     -2.29319107     -5.79934112     -3.39237284
  O     -1.28625105     -5.59191234     -1.73734375
  H      0.08041417     -4.65419846     -4.78376917
  H     -3.37784750     -4.95288915     -4.07065079
  O     -2.35768065     -3.10153428     -1.44559597
  H     -1.35672400     -4.99091825     -5.23091419
  H     -4.96821491     -2.80295411     -3.96591927
  O      1.02184733     -4.97282141     -3.22307752
  H     -1.44301840     -6.11288180     -0.95419068
  H     -3.43459518     -2.75083836     -4.15945834
  O     -0.37413271     -0.70154071     -6.58310722
  H     -1.64278905     -4.70353671     -1.55951984
  H      2.91230931      1.50337729     -5.15593778
  O      5.16578288     -1.53918496     -7.03397591
  H     -3.08817507     -3.10375953     -2.07760762
  H      2.19160897      1.13081875     -3.83255118
  O     -0.65049183     -1.06084991     -2.50171708
  H     -1.82285137     -2.32646785     -1.65786241
  H      4.49131932     -0.10525206     -4.19658843
  O      4.52558377     -2.71573063     -2.38032665
  H      1.23883480     -4.08290442     -2.90924540
  H      5.24574407     -1.02619776     -5.17987569
  O     -0.05124494      1.96560699     -5.80965735
  H      0.29798654     -5.29246551     -2.67014648
  H      0.28474766     -1.35341855     -9.69124521
  O      2.59775526      2.32498715     -6.78682840
  H     -1.10105675     -1.11647406     -6.10252127
  H      0.27274121     -1.18109791     -8.15384956
  O      1.75388910     -2.37020852     -2.59436459
  H      0.43065644     -0.97787069     -6.11409221
  H      2.43368405     -2.15899760     -5.62457705
  O     -2.74583951     -5.66325510     -4.23454376
  H      5.93156124     -1.85900796     -7.50422298
  H      2.36989268     -0.70456678     -5.02567109
  O     -4.15066793     -3.19905790     -3.67642080
  H      4.60617203     -2.31570507     -6.84758902
  H     -1.46125830     -1.73741056     -4.01099620
  O      2.97033361      0.94260928     -4.37025085
  H     -0.39155397     -0.14837804     -2.67630279
  H     -1.40169634     -2.91967638     -5.03395176
  O      5.12710880     -0.83226801     -4.24267600
  H      0.17926803     -1.54671455     -2.37969206
  H      3.81977438     -0.48514025     -7.83369223
  O      0.79792403     -1.51258299     -8.90255645
  H      4.79792191     -2.05372090     -3.04068009
  H      2.40084116     -0.53407065     -8.46783747
  O      1.85864137     -1.50432543     -5.20617247
  H      5.19494723     -2.71719778     -1.70151832
  H      2.70501107     -3.82433246     -6.89569339
  O     -1.89346192     -2.12064001     -4.78768859
  H     -0.27421391      1.09529631     -6.16840417
  H      3.59647816     -4.07483991     -5.61994110
  O      3.09004274      0.06112993     -8.15100795
  H      0.78468762      2.21276949     -6.22458916
  H      4.06891010     -4.27543023     -3.43922360
  O      3.44914991     -3.48722580     -6.37492135
  H      2.76987121      1.53642069     -7.33370235
  H      2.83063399     -5.13793283     -3.77100465
  O      3.72422151     -4.92044092     -4.06886093
  H      3.03835447      3.05611789     -7.21069338
  H      0.95263726     -3.30699726     -8.16600047
  O      1.16263870     -4.11564426     -7.68519264
  H      2.68266173     -2.44938053     -2.34524363
  H      0.47258938     -4.24573372     -7.02029059
          69
 Energy    -249.80148730306809     
  O     16.08077782     10.42735204    -16.76259336
  H     15.30054127     10.86991954    -16.40902738
  H     20.84469877      8.90942649    -17.46174563
  O     19.22538252     13.49636568    -11.59719872
  H     16.33709656      9.76933248    -16.09598611
  H     17.72063337      8.44113935    -14.61327578
  O     19.47208210      7.74619779    -14.47478432
  H     19.60117685     12.75806187    -11.08451417
  H     16.35215923      8.82290032    -13.96346597
  O     14.16827778      7.23001094    -17.30921304
  H     19.78817456     14.25119888    -11.45009807
  H     13.59112523     10.37476988    -15.23681524
  O     17.45800597     10.59548734     -9.07620858
  H     19.74137954      7.95756016    -15.37860582
  H     12.98976023     11.74733602    -15.61907707
  O     15.49161820      9.27972733    -12.35702306
  H     19.21195652      6.81772262    -14.43270208
  H     17.52856852      9.01581890    -10.08376150
  O     18.37042577     11.85981038    -13.73342303
  H     14.84887038      6.65648323    -16.93518887
  H     18.30268650      8.74724931    -11.39147457
  O     18.26511673      5.20089755    -14.25688078
  H     14.61649208      7.73589335    -17.99687753
  H     13.52804474      8.17965638    -15.90555219
  O     14.01888749      6.97623447    -12.83596142
  H     17.13921633     10.75480601     -8.19182507
  H     13.48163836      8.06736667    -14.36847555
  O     16.53955872      6.17963801    -16.10824205
  H     17.09068477     11.30255982     -9.63642954
  H     19.25492917     11.00680331     -9.71304515
  O     16.51192604      6.09639656    -12.14764140
  H     14.83859069      8.57193270    -12.42033203
  H     20.01277609     10.60939061    -10.99081759
  O     20.00868376      8.73782939    -17.03624460
  H     16.18576304      8.98112257    -11.75379978
  H     19.64618483      8.93027695    -13.14252431
  O     16.79225529      8.62853945    -14.79890174
  H     18.71261275     12.52591498    -13.12420566
  H     19.07114016     10.35977082    -12.94072387
  O     13.80535976     11.31601158    -15.37977309
  H     17.40715272     11.86644468    -13.64084288
  H     16.15368571     12.46444042    -11.53653983
  O     17.60689681      8.39257076    -10.81771425
  H     17.61382755      5.41240204    -14.94940855
  H     17.45161967     13.07140226    -10.97649971
  O     13.31315602      8.67113445    -15.09843211
  H     18.52733749      4.29382707    -14.39030321
  H     18.67733100      7.68749308    -17.91554444
  O     20.00401396     11.25399807    -10.26896937
  H     14.88135419      6.57097141    -12.63450498
  H     17.30569932      7.72204594    -18.63292691
  O     19.46556588      9.60741162    -12.47692229
  H     13.35944016      6.43212727    -12.41316113
  H     14.97596306     11.85311296    -13.96660177
  O     16.63931334     12.61922726    -10.71642905
  H     17.05934599      6.37904710    -16.90383435
  H     15.52651099     10.93902467    -12.86254015
  O     17.96030940      7.12951265    -18.24067622
  H     16.46384768      7.01737768    -15.62681624
  H     18.77079685     11.40723956    -15.49724564
  O     15.60822387     11.83026026    -13.24053705
  H     16.96893305      6.74760896    -11.59992177
  H     17.86537731     10.99325973    -16.66437834
  O     18.79210299     11.06559231    -16.40081894
  H     17.15761517      5.75575883    -12.77673117
  H     15.64502801      9.39942649    -19.77757176
  O     15.84315644      8.87790979    -19.00419591
  H     19.61342215      9.60537396    -16.83347982
  H     15.91845125      9.49728132    -18.25805892
          69
 Energy    -249.80031297756668     
  O     13.00976787     11.89081980    -17.75105919
  H     13.02369169     12.72655394    -18.20995592
  H     13.90226711      5.89891286    -14.59366126
  O     16.68286439      5.60278214    -12.88480776
  H     13.69984277     11.94813733    -17.07009651
  H     18.34476218      8.31847834    -14.21522952
  O     19.05858818      9.39206967    -11.32369298
  H     16.83533618      6.19387163    -13.63011771
  H     19.14451141      9.54037039    -14.66469441
  O     18.69703509     10.73797320    -16.05031889
  H     16.94423236      6.09671482    -12.09206939
  H     15.75595284     10.37436971    -16.43915998
  O     14.11905006      4.84508609    -13.02877499
  H     19.93761054      9.51876739    -10.97736845
  H     15.64708262      9.07747711    -17.28681427
  O     14.48017560     10.75031972    -10.05940614
  H     19.15485728      9.19913455    -12.27396283
  H     14.42869339      9.58946608    -13.26109830
  O     13.58727221      7.09431824    -11.42105543
  H     17.89876976     10.33922759    -16.43505678
  H     14.61640719      8.32495257    -12.37070650
  O     13.14684754     10.71140285    -13.89265208
  H     19.20556364     11.08522107    -16.77906541
  H     12.18634388     10.34243683    -17.70476879
  O     14.27767914      7.98722553    -17.75369477
  H     13.99486250      3.90725493    -12.91491717
  H     11.11026873      9.40591526    -18.30285410
  O     14.96709553      8.04938820     -9.27651163
  H     15.07693548      5.01841485    -12.95165236
  H     17.93796391      7.92999402    -10.84481410
  O     16.58689710      7.74537659    -14.77767256
  H     14.66314197      9.87680561     -9.69109709
  H     16.60740896      7.53820934    -10.16585510
  O     13.99398967      6.60049752    -15.24974534
  H     15.27436277     10.99700222    -10.55041463
  H     11.32466037      8.37952775    -13.16205280
  O     19.10609967      8.86142713    -13.97964465
  H     12.71665451      7.45938337    -11.64177461
  H     11.43888602      9.24832855    -11.88168243
  O     16.26973401      9.63884265    -16.80281401
  H     13.69931777      6.26913122    -11.90714018
  H     17.75785966     11.86293028    -14.72428857
  O     15.08563127      8.97597908    -12.90667429
  H     12.64768799      9.98299104    -14.29050307
  H     17.01102666     11.92820587    -13.36661421
  O     11.80182592      9.45048748    -17.64737152
  H     12.73184642     10.93578765    -13.05033949
  H     17.56545114     10.50464939    -11.51764882
  O     17.31579179      7.20257793    -10.72645668
  H     14.13047063      7.33397707    -17.05887108
  H     16.19614662     10.19632402    -12.16118940
  O     11.29825514      8.34642574    -12.19702344
  H     13.44047476      8.45856227    -17.84214298
  H     11.57682268     11.65296696    -10.89804519
  O     17.07299389     12.33746003    -14.23987600
  H     14.42350998      7.64287895     -9.97408121
  H     12.93438056     10.91519874    -10.84267399
  O     16.73232773     10.91166828    -11.78612601
  H     14.73134021      7.61806819     -8.45864139
  H     14.21173316     11.48062680    -15.06160339
  O     12.09572741     10.98230045    -11.33379754
  H     16.55636192      8.34408604    -15.53585268
  H     15.61161617     12.13237723    -15.22727976
  O     14.85007384     11.79339325    -15.71997872
  H     16.11451756      8.19493812    -14.05551869
  H     12.61921621      7.82203999    -15.05291544
  O     11.93051198      8.49942546    -14.99084615
  H     14.88253524      6.95735952    -15.12130002
  H     11.75393664      8.79734901    -15.89218405
          69
 Energy    -249.80020683909922     
  O     11.16007660      8.69424211    -14.33069241
  H     11.36125569      8.37749416    -13.43656073
  H     19.62591481      9.52504731    -16.24543184
  O     17.00838386      6.99524575    -13.26538908
  H     11.41727828      9.62205407    -14.36229468
  H     14.00055409     10.14590100    -17.23592348
  O     16.83741556     11.47876037    -12.87654116
  H     16.46519074      6.80177689    -12.48727970
  H     14.82782277     11.15318935    -16.43123223
  O     16.48416695     11.00897970    -15.62582265
  H     16.95628699      6.25799982    -13.88533699
  H     15.64002143      9.42832620    -14.93132261
  O     13.98364862      5.04551675    -14.58261386
  H     15.90703748     11.24012623    -12.74633321
  H     15.83803184      8.13487269    -14.06558206
  O     15.86092296     10.13927172     -8.61067972
  H     17.35053145     10.66085118    -12.94912855
  H     12.33430179      6.77967248    -11.89687512
  O     15.41369385      6.71638122    -11.05275059
  H     16.63329394     11.39905431    -14.75388981
  H     12.53820877      8.16614210    -11.26816068
  O     14.17060595     10.63885961    -12.74584870
  H     17.30926809     10.58187557    -15.88610400
  H     18.78670507      8.71015558    -10.15411514
  O     17.42910382      7.88892818     -9.43968010
  H     14.89491336      4.99769916    -14.89216699
  H     20.28705046      9.08522855    -10.09055218
  O     16.93787206      7.35820113    -17.01044404
  H     13.58461083      5.79868042    -15.04052787
  H     12.87167704      4.30472887    -11.72721284
  O     16.72369679      5.19885716    -15.38693878
  H     15.74494653     10.57477254     -7.77055317
  H     13.54411987      5.04014983    -12.91092909
  O     18.73684161      9.37274368    -15.93441241
  H     16.46324088     10.69559911     -9.13595877
  H     19.01476171      9.26567508    -12.33729919
  O     13.92848698     10.96545979    -16.73430194
  H     14.93952058      7.54298051    -10.87649929
  H     18.06384177      8.37926596    -13.18226226
  O     15.18303962      8.74732159    -14.42212587
  H     14.73980386      6.05919664    -11.26854177
  H     18.39082911     10.85121788    -10.25224452
  O     11.96317756      7.66872884    -11.86144523
  H     14.45145640      9.87427263    -13.27412295
  H     17.37445568     11.67568945    -11.06229873
  O     19.47463938      9.27535599    -10.55154484
  H     13.45084039     11.04128076    -13.24647393
  H     14.01070294      8.07869392    -18.75224840
  O     13.32947351      5.10689393    -11.96314453
  H     16.88470301      8.56839210     -9.02163464
  H     13.86197961      7.96351845    -17.21739087
  O     18.56422352      9.21089073    -13.18896710
  H     16.81659747      7.32554026     -9.92884103
  H     14.55878321      9.47301142     -9.77381365
  O     17.65700264     11.47151449    -10.16160208
  H     16.14349035      7.77911916    -17.36197940
  H     14.05018859      9.70838209    -11.22120597
  O     14.39659032      8.36259634    -17.92702887
  H     17.53949653      8.05709512    -16.73061247
  H     11.66985160     12.12871562    -14.82159111
  O     14.04931585      9.07415763    -10.48901900
  H     17.23807103      4.47886877    -15.74186483
  H     12.79080816     11.24348503    -15.41015718
  O     12.23589929     11.38731270    -14.62329382
  H     16.79650854      5.93619230    -16.01973943
  H     12.31745039      7.80455781    -15.32947559
  O     13.13421930      7.44849356    -15.70940098
  H     18.78421522      9.31885326    -14.96465262
  H     13.85513393      7.88150517    -15.22551190
          69
 Energy    -249.80001810658615     
  O     10.82585288     10.66223048    -11.92489183
  H     10.34708039     10.16970822    -12.60321948
  H     15.08422138      5.75673512    -18.10473105
  O     13.75331251      7.11916278    -15.10445253
  H     11.59604152     11.04102470    -12.36806397
  H     17.76429748      6.37506349    -15.15376468
  O     17.75959773     10.43703382    -12.18067891
  H     14.14115546      6.72894496    -15.89552542
  H     16.97679287      6.28242626    -16.47785872
  O     17.90672750      9.17166023    -16.71782241
  H     14.42676280      7.72273502    -14.74614762
  H     15.22209673     13.40105150    -15.33536141
  O     12.10880983      9.34341308    -15.23611641
  H     18.10835033      9.61526986    -11.81795232
  H     15.80244791     11.99454710    -15.05489972
  O     16.21085415      6.77529328     -9.98494685
  H     16.83618601     10.46831134    -11.89262339
  H     16.14413259      9.39753178    -14.51388670
  O     13.25309324      6.15392143    -12.55184273
  H     18.05339413      8.24138459    -16.49650053
  H     15.39218504      9.13278006    -13.19912596
  O     14.98446120     10.13034751    -11.74261831
  H     17.17818257      9.16999341    -17.34824385
  H     11.02846573      9.56735174    -10.58173305
  O     15.54001074      8.93173258    -18.38507894
  H     12.59314309      8.50566336    -15.22259376
  H     10.64748987      9.11819400     -9.14979075
  O     15.69178554      4.82485088    -12.05524431
  H     11.23132835      9.17059570    -14.87370061
  H     10.70769516      7.49897455    -11.23738253
  O     17.17378786     10.97054214    -14.82523942
  H     16.03972164      5.99193336    -10.52118344
  H     11.44853334      6.56504449    -12.21920735
  O     15.21696561      6.36468719    -17.38109638
  H     15.37614119      7.26204835     -9.97583960
  H     17.87184909      6.99808432    -12.64715449
  O     17.85516878      6.44029261    -16.11326324
  H     13.99612471      5.57033726    -12.35457714
  H     16.72895908      7.36010298    -13.61884076
  O     14.97581268     12.49033550    -15.19791739
  H     13.36149490      6.43068894    -13.47290054
  H     19.21215310      7.71211155    -10.51933090
  O     15.63379230      8.72857219    -14.04357998
  H     14.29929700     10.60134523    -12.23698408
  H     17.67913647      7.52912893    -10.61024879
  O     11.13258437      8.85379282     -9.92641812
  H     14.54640857      9.45246516    -11.21082849
  H     14.25361980     11.29415303    -16.48345750
  O     10.59895724      6.99401590    -12.05293223
  H     15.60234394      9.26694211    -19.27581642
  H     13.18078943     10.18465507    -16.50701217
  O     17.30872563      6.63458599    -13.34252502
  H     14.93937537      9.52967587    -17.90413573
  H     13.55285720      7.39627908    -11.22041591
  O     18.46248291      7.84850662    -11.09277707
  H     16.00914554      3.93188517    -12.16284900
  H     12.87496829      8.29766454    -10.15637142
  O     13.90380276     10.57139828    -17.01793317
  H     16.28088133      5.39747003    -12.57630183
  H     13.70382530     11.82322255    -13.99047209
  O     13.73217738      8.00631398    -10.49064167
  H     17.61591984     10.40999758    -15.48071006
  H     12.79125761     10.57883067    -14.05510626
  O     13.11606664     11.27078071    -13.46040499
  H     17.54771841     10.81562679    -13.94481477
  H      8.82572056      8.65815033    -14.09800960
  O      9.73118079      8.82776293    -13.85303514
  H     15.32722135      7.24628254    -17.77450732
  H     10.00045746      8.11032863    -13.25126645
          69
 Energy    -249.79990199685159     
  O     14.20559570      9.89444051    -10.83840978
  H     13.94736714     10.38551445    -11.63123093
  H     16.53472573      4.29841777    -10.40233910
  O     13.64123725     10.27478881    -16.71594536
  H     15.05676900     10.24510427    -10.54884821
  H     12.14601851      7.60222480    -10.75222087
  O     16.59287330     10.75859582    -13.17753929
  H     13.54500105     11.17110319    -16.36947996
  H     13.01524042      8.73088820    -10.17094677
  O     13.28554438      4.84555233    -12.56494191
  H     13.18721398      9.69831551    -16.08963827
  H     14.76202714     12.79429993    -15.46550424
  O     16.81252892      8.28221726     -8.92563639
  H     16.82266968     10.68884071    -12.24358945
  H     13.53390648     13.72959899    -15.59735624
  O     16.47174250     12.39044934    -15.49836769
  H     15.62686149     10.80099136    -13.22405306
  H     12.22876986      8.18724151    -13.85072749
  O     15.42859840      7.53961800    -11.97026486
  H     13.82691086      4.85402430    -11.76446822
  H     13.53505185      8.14702023    -14.66812787
  O     13.78142556     10.96652814    -13.31309614
  H     13.88478491      4.62938500    -13.28875465
  H     16.45830453     10.04983013    -18.18814508
  O     18.08925551      7.22151743    -12.75761186
  H     16.01785687      7.81086474     -8.65802200
  H     15.35652520     10.10120113    -17.10424904
  O     17.53302659      4.50099837    -13.20492386
  H     17.44553694      7.62000746     -9.24212013
  H     10.70715003      6.65015383    -12.54653631
  O     15.25218607      4.45057853    -14.62216871
  H     16.56008565     11.70145564    -16.16928986
  H     12.18509601      6.20443392    -12.56644862
  O     17.40186285      3.85925216    -10.45551575
  H     16.69756086     11.96793999    -14.65906787
  H     13.99465430      6.80787324     -7.36207018
  O     12.50239563      7.94557154     -9.92600104
  H     14.99892270      8.31659928    -11.59627244
  H     13.61941052      7.22953979     -8.80186225
  O     13.78985043     12.83068102    -15.41177566
  H     15.13553502      7.44068517    -12.88545415
  H     15.25665983      6.05588878    -10.98556546
  O     12.74862502      8.68818769    -14.49031221
  H     13.38021082     10.18561567    -13.72291035
  H     14.79082977      5.65097916     -9.57558535
  O     16.31948570     10.11785438    -17.24724512
  H     13.67369447     11.69793619    -13.93166043
  H     18.31664717      5.54381092    -10.11464534
  O     11.60149695      6.98273427    -12.51994992
  H     17.21339230      7.38258656    -12.37288941
  H     18.64261568      6.76846677    -10.98440171
  O     14.32830798      6.84546165     -8.25413678
  H     18.09824816      7.71405692    -13.58608172
  H     15.85805666      7.66521903    -14.89280659
  O     15.07426038      5.28603658    -10.42311308
  H     17.57177861      4.13752850    -12.31199017
  H     15.12877050      6.27114519    -14.81008742
  O     18.57436906      6.47150877    -10.06748659
  H     17.84035283      5.41447546    -13.12900815
  H     16.91744349      9.73735123     -9.82829978
  O     15.01402245      7.22558512    -14.72250474
  H     15.29124319      3.76909042    -15.28731835
  H     17.32404949     11.22703391     -9.81420019
  O     16.88235412     10.56630505    -10.34102382
  H     16.08933562      4.40841929    -14.12435831
  H     17.11335861      9.17467742    -15.84045379
  O     17.31172591      8.77823607    -14.98311312
  H     17.35674035      3.08738108     -9.89792190
  H     17.11588186      9.45949788    -14.32059138
          69
 Energy    -249.79972684364787     
  O     12.98992700     11.00933385    -15.68813259
  H     13.33622560     11.22132790    -14.81009606
  H     14.56702647      7.34502467    -10.52811407
  O     15.12668649      4.67874469    -16.29090651
  H     13.69127395     10.52223926    -16.13680127
  H     13.71789671      9.31913238    -13.42431829
  O     13.16848282      6.74952409    -11.51700527
  H     14.44178462      4.22614899    -15.78588587
  H     14.63395727      8.22412628    -14.01462695
  O     16.78037066      5.26679568    -10.47295907
  H     14.70115169      5.44085013    -16.71215483
  H     15.69448980      9.11100217    -16.05478850
  O     13.36336845      3.45566675    -14.31636221
  H     13.34990487      7.34933411    -12.25780543
  H     15.86042732      9.85882999    -17.39483388
  O     10.52772434      9.95865429    -15.22994990
  H     12.21193436      6.64260324    -11.47991918
  H      9.68003383      6.12855083    -11.43563595
  O     13.89583382      6.97419616    -17.24815246
  H     17.53759532      5.53639519    -11.00451249
  H     10.58152573      6.00422100    -12.68821919
  O     14.62038884     10.31596415     -9.63265903
  H     16.36943691      6.08652387    -10.16420516
  H     10.51239976      9.53506204    -13.36197552
  O     18.64156205      6.25268673    -12.49340593
  H     13.88658135      3.78149627    -13.56527903
  H     10.47444956      8.41085369    -12.28920815
  O     11.82706571      7.48544044    -15.42100883
  H     13.35311246      2.50360256    -14.24604618
  H     14.14787676      5.32266384    -12.02611761
  O     16.63387915      5.50893270    -14.22071063
  H      9.86371512     10.42564004    -15.72962262
  H     15.47874695      4.66329975    -11.59374234
  O     15.37560609      7.71773808    -10.14939521
  H     11.38277111     10.37655524    -15.43960512
  H     11.28576835      5.91333456    -14.68658291
  O     13.76492585      8.37565018    -13.62405291
  H     14.32835481      7.83437922    -17.24363517
  H     11.79533846      4.53171709    -14.21558544
  O     15.20603471      9.52282531    -16.78629795
  H     13.08329937      7.09631212    -16.73898970
  H     11.54912014     11.62229891    -10.49319108
  O     10.39698490      6.54973953    -11.90155645
  H     13.73389178     10.49240072     -9.97222040
  H     11.55365505     10.36789800    -11.39490544
  O     10.60326281      9.35803822    -12.41811047
  H     15.22494860     10.77572378    -10.22663992
  H     16.46168189      7.26740616    -14.63669671
  O     14.79454046      4.64793372    -12.27813857
  H     19.50349345      5.90881468    -12.71340530
  H     16.68869808      8.52218328    -13.76829302
  O     11.07603468      5.16427286    -14.10954059
  H     18.02840460      5.92711601    -13.17491887
  H     14.78819888     11.25208680    -12.67536172
  O     12.12701155     10.98562816    -10.90599197
  H     11.23361645      8.24063691    -15.50280220
  H     13.27665648     11.20468090    -12.32279221
  O     16.35686319      8.22972053    -14.62698648
  H     12.51154965      7.76461778    -14.79430034
  H     17.12405207     11.86870327    -11.66735841
  O     13.90759263     11.13395895    -13.05197281
  H     16.25302835      5.17616079    -15.04828827
  H     16.80632503     10.36534862    -11.83294506
  O     16.40537698     11.24556250    -11.74029177
  H     16.01165154      5.25291489    -13.52621330
  H     17.87133041      7.92627647    -12.10980243
  O     17.22797983      8.63606978    -11.99292175
  H     15.12934152      8.58423536     -9.79570164
  H     16.56222431      8.30146278    -11.37144010
          69
 Energy    -249.79952775591101     
  O     17.69644008      7.49773284    -12.78250612
  H     17.77205753      7.76212079    -11.85841940
  H      9.63461671      5.09812782    -10.03126984
  O     13.60768869      7.77927381     -9.79184775
  H     17.13839573      8.16745478    -13.19451590
  H     14.42745228      6.50217337    -12.61964959
  O     10.84101799     10.75994569    -11.68703258
  H     13.75175348      7.32816571     -8.95269484
  H     13.74307226      5.26261035    -12.02188165
  O     17.58854918      8.52354431    -10.07253566
  H     13.83178511      7.13795124    -10.48726870
  H     15.21846531      4.31271459    -15.79514169
  O     17.63155119      4.75916566    -13.27661726
  H     10.05439222     11.13615394    -11.30005528
  H     14.93109923      5.45028134    -14.78991591
  O     11.18115415      8.11981004    -11.00712502
  H     10.88028184      9.83395485    -11.39473516
  H     14.26923861      6.09632846     -6.72647991
  O     11.61248377     10.22727747    -14.39047879
  H     16.79830021      9.05272174    -10.27303656
  H     15.15914739      6.07852760     -7.99274266
  O     16.35899251      4.46511589    -10.89984730
  H     18.26449172      9.13765135     -9.79488146
  H     14.80017866      1.69412115    -10.27076676
  O     13.55726928     11.73053990    -11.65332888
  H     17.73303217      5.71956285    -13.18102951
  H     15.23234387      3.13835046    -10.62078222
  O     14.03344463     11.44120286    -14.48147388
  H     16.89907949      4.62586219    -13.88821330
  H     14.70407768     10.54845945    -10.96132629
  O     15.65169336      9.36088653    -13.51859561
  H     10.76495184      7.26621401    -10.83409633
  H     14.65387807      9.11471271    -10.35761626
  O     10.39432540      5.46138765    -10.47970371
  H     12.01736878      8.10485871    -10.51811114
  H     16.75554705      5.48946840     -9.41561201
  O     14.24549925      6.05255107    -11.78525931
  H     11.23262301     10.50785673    -13.54832682
  H     17.06019346      6.97320289     -9.12149356
  O     15.19787700      4.51750932    -14.86325892
  H     11.58173495      9.26154326    -14.37504244
  H     13.17626774      3.67398765     -9.67202787
  O     14.23636566      6.05933383     -7.67826934
  H     16.95363391      4.43530114    -11.66363570
  H     13.14827107      4.88545406     -8.71440936
  O     14.46667596      2.54091447    -10.55500879
  H     15.67559329      5.10833574    -11.14050253
  H     13.42026166      7.25519534    -14.25777989
  O     15.24359978      9.77140543    -10.75476629
  H     13.74972445     11.78967612    -12.59742362
  H     14.84260956      7.90245035    -14.18603830
  O     16.71746616      6.16385601     -8.72342137
  H     12.62806699     11.47782218    -11.59128111
  H     13.70793973      3.07810070    -12.21556485
  O     12.60202672      4.35888198     -9.31111516
  H     14.07035319     12.07683606    -15.19080567
  H     14.01664657      3.77643369    -13.58185445
  O     14.36584957      7.08336329    -14.37737126
  H     13.16527282     11.00284898    -14.54016473
  H     11.66132974      4.35480385    -13.23585851
  O     13.33277337      3.62665873    -12.91477235
  H     15.51730193      9.47162846    -12.56693955
  H     10.60830269      5.03842064    -12.35106428
  O     10.88129330      4.92559792    -13.26969941
  H     15.20786608     10.10670726    -13.94158170
  H     11.60627924      7.77665302    -12.83450183
  O     11.70154764      7.49360722    -13.75285601
  H     11.17766406      5.06194067    -10.06204005
  H     11.35084181      6.59090916    -13.77382597
          69
 Energy    -249.79887323454165     
  O     15.78341087      9.40381018    -16.36814492
  H     15.04585617      8.79810417    -16.16293283
  H     18.35512483      7.66838734    -17.96394020
  O     14.29221910      2.63269757    -15.98066803
  H     15.46005432     10.28854529    -16.21701279
  H     17.39861414      5.10466097    -15.22999217
  O     20.22155390      4.71876191    -17.31203901
  H     15.23939322      2.45275734    -16.12742403
  H     17.01748200      6.61079971    -15.07834285
  O     18.03660267      3.50337989    -18.69234275
  H     13.81188084      1.87455777    -16.30117204
  H     13.96268068      6.84320831    -16.30783224
  O     12.21523581      6.37548137    -10.69066457
  H     19.92267249      5.62621749    -17.46728487
  H     13.56341959      7.38185435    -14.92161866
  O     14.11726383      3.87384133    -13.47699753
  H     19.57136738      4.17043252    -17.76647882
  H     14.48053252      3.60525943    -10.05369918
  O     15.86327749      7.04415063    -12.19312646
  H     17.45960918      4.26147814    -18.88971977
  H     15.46069638      3.09167344     -8.97091623
  O     18.15504400      3.73119948    -14.29655166
  H     18.14108309      3.02465320    -19.51113177
  H     15.47503784      5.45500440    -16.50505956
  O     12.95690442      3.60942337    -10.93100284
  H     11.56737401      6.84519480    -10.17285689
  H     14.38520705      4.37315832    -16.71516760
  O     16.92928034      2.31377475    -16.35916313
  H     13.07512636      6.50341519    -10.25065521
  H     19.69058475      7.64523198    -15.75113721
  O     20.68580539      4.87379576    -14.63962924
  H     14.16256161      3.39663983    -14.31389974
  H     20.21681121      6.79745326    -14.58761476
  O     18.87065521      7.13653538    -17.34965287
  H     15.01347029      3.94557419    -13.12203358
  H     16.29956310      4.05766533    -11.26215514
  O     16.99444723      5.85700235    -15.68127180
  H     14.99293422      6.95530754    -12.60679580
  H     16.42070339      5.32277770    -12.15046956
  O     13.82827581      7.66000337    -15.80764557
  H     16.40769342      7.56980476    -12.79419547
  H     15.24035370      6.86131435    -10.43988690
  O     15.36583523      3.73477460     -9.66798605
  H     17.71902647      3.88933287    -13.44731448
  H     15.03651845      5.64884430     -9.51106437
  O     14.64630685      5.26301648    -16.97609040
  H     19.05799383      4.07104096    -14.25525047
  H     16.50175925      6.52911246    -19.15301661
  O     19.89106700      7.67844159    -14.80452670
  H     13.23224693      3.56817860    -11.85761014
  H     15.61249858      5.44207762    -18.53234086
  O     16.56743042      4.36498448    -12.13682739
  H     12.53806413      4.47205791    -10.82131456
  H     12.81194709      6.56607061    -12.47196256
  O     14.73673503      6.55140967     -9.67370500
  H     17.43119385      2.68262647    -15.61921887
  H     13.53445409      5.60094065    -13.44734325
  O     16.32192108      5.58373064    -19.17566145
  H     17.32007660      2.67459933    -17.16437951
  H     16.90629279      8.75128937    -14.92246945
  O     13.33346786      6.53469768    -13.28334418
  H     21.57015091      4.59323153    -14.41906702
  H     18.23972964      8.16295365    -14.32906621
  O     17.28181926      8.24005856    -14.19722391
  H     20.58887323      4.76079394    -15.60325245
  H     16.44916048      8.79309124    -17.96471290
  O     16.83729948      8.44022325    -18.78110467
  H     18.22180927      6.61530371    -16.85036690
  H     16.71301490      9.10604962    -19.45321825
          69
 Energy    -249.79798308445271     
  O     15.65832344     10.86852450     -9.01377398
  H     15.43233764     11.12464846     -8.12324312
  H     16.33202131      6.62993738    -15.44202513
  O     13.43480445      5.32422390    -11.37132538
  H     15.15355151     10.06150277     -9.21059006
  H     16.10928205      7.48922587    -12.35373814
  O     17.43719091     10.34848281    -12.54441266
  H     14.00734751      4.89846553    -12.01984653
  H     16.17587390      9.03754620    -12.38722644
  O     16.84927801      9.83929821    -15.20939629
  H     13.96889235      5.48357220    -10.58328949
  H     14.45808805      7.74025822     -9.41106646
  O     14.99371031      5.97179154     -9.08278387
  H     17.41881333     10.30722269    -13.50832299
  H     14.80413799      8.50900981    -10.69921698
  O     14.02345451     10.20682513    -15.17889462
  H     16.86799282     11.08552141    -12.27065250
  H     15.18360088      3.29226734    -13.64492025
  O     14.85499243      6.93899080    -18.03552837
  H     16.96744804      8.87869396    -15.20349407
  H     14.92301049      4.70025067    -14.23007374
  O     11.48785256      6.97259110    -12.26104883
  H     15.89942024     10.01035553    -15.15581003
  H     12.85362070      9.29085048    -10.65695387
  O     17.19546663      6.04404177    -12.76834754
  H     15.06494673      5.47946330     -8.27008465
  H     11.78214029      8.74212765    -11.60152516
  O     13.48796607      7.79860225    -14.01757855
  H     15.90450732      6.16135897     -9.37774812
  H     17.68060154      7.52534140     -9.94312667
  O     14.64268982      5.85152041    -15.54023673
  H     13.76241369      9.32736408    -14.86455744
  H     17.56979499      6.32508330    -10.91821588
  O     17.20822182      7.03771135    -15.39405707
  H     13.73797813     10.81744880    -14.48880675
  H     17.54607014      8.28789639    -18.18683300
  O     15.56911429      8.28887442    -12.31031709
  H     14.54767091      7.85378209    -18.04580600
  H     18.39615436      7.14734389    -18.79664113
  O     14.36239576      8.59824391     -9.83960186
  H     15.80376653      6.97836331    -18.20896990
  H     17.98525824      9.66714340    -10.88105386
  O     15.12904662      4.21578491    -13.41171255
  H     10.66875894      6.48898980    -12.31942367
  H     17.32368128      9.88927447     -9.51949179
  O     12.16817699      9.56554085    -11.28104218
  H     12.14960260      6.36202645    -11.88648553
  H     13.44644286     10.19373064    -18.37412918
  O     17.43817645      6.58866499     -9.99984939
  H     17.43555651      6.38211824    -13.64168917
  H     14.04715750      9.97449278    -16.96929470
  O     17.71132403      7.32820848    -18.15898533
  H     16.57608101      5.31795836    -12.91736936
  H     15.54778491     11.81049453    -10.67066321
  O     17.95249609      9.32209047     -9.97803693
  H     14.19487262      7.98460824    -13.37805588
  H     14.72548947     11.96499809    -11.97932508
  O     14.14336020      9.73948853    -17.90665785
  H     12.70808992      7.54112150    -13.51253657
  H     17.11817307     10.08277176    -17.05663785
  O     15.59295392     12.11547801    -11.58628459
  H     14.61976416      6.10748431    -16.47376813
  H     16.05450394      9.98189360    -18.15220132
  O     17.00810625      9.94658440    -18.00852770
  H     14.15298551      6.52671069    -15.04625357
  H     12.72357280     10.85342969    -12.33018112
  O     13.07788635     11.56953002    -12.88656952
  H     17.54469159      7.04933848    -16.29893337
  H     12.44943218     12.28609426    -12.83773059
          69
 Energy    -249.79763395007421     
  O     17.33557520     10.04439122    -10.10445396
  H     16.58586153      9.89484025    -10.69844709
  H     13.05746118      7.78433516     -6.27031562
  O     18.00544936     12.08099264     -8.41936295
  H     17.89805871      9.25692975    -10.11202676
  H     18.06128487      5.68054000    -12.32768749
  O     12.26383669      6.65498868     -7.57794855
  H     18.32298561     12.84108034     -8.90019755
  H     16.66337870      5.08643578    -12.52132208
  O     15.04258017      9.53427563    -11.56013988
  H     17.76990648     11.40811802     -9.08063430
  H     15.10212871      7.15606043     -8.61639860
  O     18.83996510      7.72931170     -9.91707870
  H     12.05989821      7.22356046     -8.34226932
  H     13.94362129      6.18086456     -8.31788053
  O     20.31501901      8.02804178     -7.58396756
  H     11.49013192      6.12083006     -7.41882341
  H     19.85019041      7.47202171    -12.98045694
  O     17.37000193      5.46890473     -9.29326490
  H     14.38602933     10.09309641    -11.12665559
  H     19.02287001      7.54221979    -11.67701364
  O     11.91438582      8.16749454     -9.81919518
  H     14.69656238      8.63177478    -11.49029629
  H     17.25602361     10.15150584     -3.68205953
  O     15.95073213     11.95203187     -6.42688512
  H     18.28766290      6.96571881     -9.69106058
  H     16.94131845      9.30045442     -4.93457447
  O     13.02601138     10.82786157     -9.99806009
  H     19.44520563      7.86073159     -9.17618698
  H     16.01264061      8.81717512    -13.08699063
  O     13.77158509     10.63490903     -7.39075114
  H     21.22783781      7.94914652     -7.32054798
  H     17.32640121      8.03514323    -13.35657200
  O     13.50293825      8.45399911     -5.73527878
  H     19.98436239      8.86311129     -7.20667500
  H     15.00587560      9.41686467     -7.97079160
  O     17.47562686      4.98264818    -12.01105450
  H     17.41211916      5.13639090    -10.20179410
  H     16.29832732      9.23156678     -8.81339553
  O     14.77016910      6.26367836     -8.80694529
  H     16.43516546      5.61342520     -9.09107357
  H     18.96121634     10.98688861     -7.20669179
  O     18.96437151      7.39246239    -12.63516199
  H     12.16024161      9.09755809     -9.87376835
  H     18.70515966     10.28949778     -5.85520469
  O     17.28494767     10.15991972     -4.63510390
  H     12.47127963      7.71737868    -10.46986414
  H     14.28121033      6.60019288    -10.52681807
  O     16.43283776      8.19138222    -13.68928364
  H     16.62717574     12.09686934     -7.09949642
  H     14.27146110      6.44983843    -12.08381779
  O     15.68751680      8.77989294     -8.22262145
  H     16.37038306     11.41957303     -5.73952584
  H     18.02513557      5.73792073     -7.50127749
  O     19.31944916     10.32903827     -6.59895058
  H     13.25590342     10.82717750     -9.05227222
  H     19.03777718      6.72050730     -6.89405450
  O     13.94116596      6.98020638    -11.34972280
  H     12.49840988     11.60831742    -10.14912336
  H     16.15308718      8.20872501     -6.59481148
  O     18.30177297      6.13996756     -6.66771008
  H     13.54046930      9.96468735     -6.73034267
  H     16.99780106      7.14777933     -5.87818208
  O     16.34355500      7.84219354     -5.71798690
  H     14.46419885     11.20078155     -7.01529627
  H     14.87141030      5.46550720    -14.39286331
  O     15.19110926      5.77461667    -13.54965156
  H     14.38454068      8.11050953     -5.54678781
  H     15.61740480      6.63704167    -13.70651778
          69
 Energy    -249.79677308429046     
  O     -3.02519024     -0.71990217      2.82072960
  H     -3.29328952     -0.77498900      3.74960002
  H      1.78755349     -2.85620574      3.75410963
  O     -4.14313658      1.82059805      6.07609645
  H     -2.44158931     -1.47446947      2.65919406
  H     -3.25860114     -2.79470064      5.25809713
  O      3.78074755      0.09007875      2.81839616
  H     -4.90372290      2.21998529      6.48970406
  H     -2.12296629     -3.76686466      5.62319865
  O      2.18298517      2.24465470      1.86009025
  H     -4.04709905      2.23761810      5.20099967
  H     -0.00884578     -4.39421719      7.03806060
  O      0.37363243      0.42469240      0.87961542
  H      3.74881155      0.48071162      3.69647360
  H      0.17606165     -3.47493120      5.81002680
  O     -1.28869086     -2.90365867      2.84412088
  H      3.41197852      0.78241153      2.25431019
  H     -0.26272350     -0.59866343      6.38014070
  O      0.57959647     -2.30710911      0.76536396
  H      1.73511351      3.07468832      1.66505998
  H     -0.83890385     -1.86201429      7.04439362
  O     -3.79284101      1.39992075      1.24774318
  H      1.63062114      1.56331357      1.44543594
  H     -2.37179317      1.94736687      6.78114410
  O     -3.73396657      2.94011871      3.65710555
  H      0.45272933     -0.52248082      0.70671409
  H     -1.29401862      0.94776792      7.23279338
  O     -1.03891052      3.62277137      3.66808666
  H     -0.03460256      0.51920680      1.75362524
  H     -0.96941781      1.79492278      3.43748393
  O      0.28347891      4.33024570      1.30594305
  H     -0.46245587     -2.82542081      3.33914415
  H     -1.65187383      0.39543246      3.22368356
  O      1.08597183     -2.77576329      4.41102582
  H     -1.91561893     -3.30365050      3.46477068
  H      3.74598808     -2.98937263      2.05569993
  O     -2.85732985     -3.63668728      5.01001666
  H     -0.13204055     -2.64170970      1.32608533
  H      3.27738658     -1.59141429      2.51174883
  O     -0.41505434     -3.67948415      6.55410645
  H      1.40250604     -2.45757579      1.24672354
  H     -0.19039824      2.90354354      6.43441689
  O     -0.98252700     -0.91362316      6.94949696
  H     -3.57739500      0.58300383      1.72841292
  H      0.64847112      4.17927300      6.67149413
  O     -1.45454766      1.88603699      7.07421435
  H     -4.53209574      1.19362323      0.68029389
  H      1.92917190      2.59617790      5.17689282
  O     -0.80803973      0.84820643      3.34180135
  H     -3.84659458      2.50143348      2.80621835
  H      2.38756936      2.17541673      3.75838668
  O      2.98419700     -2.50751624      2.36824858
  H     -2.84367586      3.31901329      3.65143825
  H     -0.75947916      1.71596097      0.21572073
  O      0.46951722      3.49589212      6.03028864
  H     -0.54882494      3.97615427      2.91455008
  H     -2.20127390      2.19138091      0.47923554
  O      2.54718848      2.02642669      4.70174217
  H     -0.48910237      3.70686380      4.45732730
  H     -3.81876574      0.00554535      5.77334246
  O     -1.33985312      2.48999502      0.16770275
  H      0.34619278      5.12573487      0.78452417
  H     -2.58402726     -0.88161246      6.02401956
  O     -3.43021336     -0.85084670      5.55512257
  H     -0.32235183      3.73008201      0.83182451
  H      1.62317497      0.51363909      5.12868384
  O      0.92816841     -0.15400547      5.13860042
  H      1.09280689     -1.84676480      4.69087787
  H      0.27133439      0.15874193      4.49552297
          69
 Energy    -249.79665365401709     
  O     17.90212035      4.24643853    -11.75340168
  H     17.08559658      3.79717189    -11.49144032
  H     11.54714815      8.19702306    -13.24621844
  O     14.54117408      8.19924427    -11.33996040
  H     17.75313030      4.61253984    -12.63390941
  H     14.70948763      4.88178924    -11.42998914
  O     14.91148770     10.33541260    -15.22092250
  H     14.47676135      7.24611384    -11.52200184
  H     14.36075156      5.33108045    -12.85543472
  O     18.32181962      6.29677261    -10.07368088
  H     14.33086476      8.31297013    -10.40589795
  H     12.80566833      2.68175941    -12.95578284
  O     15.42873768      3.27721542    -10.91247766
  H     15.79773647     10.09065772    -14.89733923
  H     14.13930379      3.07803915    -13.60542476
  O     13.19011565      8.76593525    -13.67268182
  H     14.95224170     11.25672821    -15.46270383
  H     14.10646294      8.69260705     -7.85594641
  O     15.19742774      8.06278494    -16.98316149
  H     18.22776419      5.51394170    -10.64761903
  H     14.81832170      7.46487646     -8.47697543
  O     14.44311149      3.82619594     -8.34835173
  H     19.21938911      6.29683694     -9.75209241
  H     12.88464756      6.55223480     -8.60793576
  O     17.35541573      9.47656391    -14.43071719
  H     15.05274550      3.27192809    -10.02419517
  H     12.01442941      5.65868775     -9.51762358
  O     17.73778996      7.36209050    -16.33468635
  H     14.81461200      2.84799337    -11.52919858
  H     16.30172054      8.11065360    -11.80360931
  O     17.25337280      5.82897818    -14.03306033
  H     13.66968529      8.64778976    -12.83943384
  H     17.65050413      7.47233580    -11.38030436
  O     10.72054284      7.76158491    -12.97878438
  H     13.70057096      9.38910897    -14.20529133
  H     15.67013621      5.35318988     -8.37790328
  O     14.26681609      5.58134765    -11.92671459
  H     14.49169307      7.47936886    -16.67197569
  H     16.82756544      6.22322263     -8.95045870
  O     13.74897338      2.48507169    -12.94733535
  H     15.04529199      8.90694163    -16.54190717
  H     12.52258698      5.60593569    -11.53694293
  O     14.06628583      8.07803237     -8.58357302
  H     13.68833968      4.43524725     -8.43525775
  H     11.21444012      6.40521089    -11.79205445
  O     12.47668437      5.67982857     -8.66961383
  H     14.28988356      3.31042808     -7.56106400
  H     14.28004565      5.26913249    -14.98617900
  O     17.19813871      7.91410656    -12.10895940
  H     17.40507548      9.03276122    -13.57328417
  H     15.69352008      4.97451237    -14.39916164
  O     16.02947875      6.24713950     -8.40849216
  H     17.64204709      8.82616839    -15.08370718
  H     11.13568091      4.14857312    -12.25073256
  O     11.57517793      5.63914715    -11.32868058
  H     18.27726353      7.26278721    -17.11418051
  H     10.26441892      2.91984712    -12.59464499
  O     14.79209644      4.63006890    -14.47212617
  H     16.83399222      7.55948381    -16.64045165
  H     10.62624048      6.27363329    -14.25464598
  O     11.01065951      3.43326327    -12.89588356
  H     17.18360162      6.53622627    -13.37674498
  H     10.86826818      4.75358172    -14.32621266
  O     10.83118412      5.55372331    -14.86380487
  H     17.51675050      6.25295045    -14.85932608
  H     13.26917540      7.34659349    -14.91323381
  O     13.24993791      6.64290077    -15.57512977
  H     10.05664645      8.44455383    -12.92505908
  H     12.38526575      6.21479044    -15.49489448
          69
 Ord_Energy   -249.796249    
 O   -5.31446791       5.02514124       6.49615526    
 H   -5.90218210       4.32781363       6.81189060    
 H   -4.46144056       4.59415007       6.35400391    
 O   -4.14918804       4.50786686      0.229937017    
 H   -4.11726189       5.06187057       1.02402556    
 H   -5.07017899       4.22898102      0.175240993    
 O   -4.19510841       5.53222227       2.80862641    
 H   -4.48870802       4.63491106       3.03455067    
 H   -4.77030468       6.11925030       3.31165814    
 O    5.78800216E-02   1.30324674       1.45037687    
 H   0.566607893       1.24869776      0.644938171    
 H  -0.725283504       1.84113479       1.24766731    
 O   -6.57483292      0.940043986      0.678674042    
 H   -6.84989548      0.291602463       3.60695608E-02
 H   -6.88283443      0.623466074       1.54945588    
 O   -7.61914301       2.51449442       4.49581194    
 H   -7.51101065       2.66545033       5.44225597    
 H   -7.84818888       3.35311651       4.06622362    
 O   -3.18222213     -0.692654431       3.89055252    
 H   -3.49509883     -0.131793335       3.16540170    
 H   -2.24296284     -0.857511163       3.72431588    
 O   -6.13170719       6.65405130       4.48245573    
 H   -6.36421585       7.50677824       4.83917522    
 H   -5.85388136       6.10174274       5.23582458    
 O   -4.03246164      0.985217512       1.90744066    
 H   -3.38747931       1.61430454       1.55510223    
 H   -4.80287647      0.960224509       1.32839906    
 O   -7.29654741      0.152297676       3.12879634    
 H   -7.52904844      0.939505637       3.64378476    
 H   -6.77954626     -0.412726820       3.71380305    
 O  -0.480960310     -0.703006029       3.45895624    
 H  -0.123210110     -0.282288253       4.25058794    
 H  -0.278050810     -0.105889179       2.72820544    
 O   -1.73616111       4.43950462       3.55485702    
 H   -2.40954256       5.06271744       3.25312161    
 H   -2.09691191       4.07534695       4.37767553    
 O   0.545314074       2.80823851       3.84499049    
 H   0.531424403       2.33324385       3.00500989    
 H  -0.117366470       3.50666022       3.76468468    
 O   -2.16418719       2.90950322       1.21974659    
 H   -2.78583002       3.45199680      0.711314440    
 H   -1.98307812       3.39087415       2.03974485    
 O   -5.25066900      0.648277164       6.90897942    
 H   -5.49463034      -4.56831716E-02   6.28494835    
 H   -4.28784418      0.703919828       6.87170744    
 O   -2.49335957      0.757435977       6.21690798    
 H   -1.52813911      0.777438283       6.20952034    
 H   -2.75395727      0.281139106       5.41564369    
 O   -3.16627336       3.40044785       5.67218924    
 H   -2.87174106       2.53390861       5.97733736    
 H   -3.84706521       3.22485876       5.00208521    
 O   0.280057579      0.886599839       5.74621964    
 H    1.06227171      0.851512313       6.29020214    
 H   0.401567101       1.63029277       5.12919044    
 O   -6.90062380       3.71961856      0.502754211    
 H   -7.57983494       3.89143944     -0.147134066    
 H   -6.82898903       2.75542331      0.574148834    
 O   -5.62781000      -1.35822558       4.89323521    
 H   -4.73360014      -1.22202468       4.53495121    
 H   -5.70001364      -2.28663969       5.10142708    
 O   -7.83508635       4.82160902       3.06200981    
 H   -7.43151426       4.57630539       2.22127676    
 H   -7.27898359       5.50306225       3.45993686    
 O   -6.90527439       2.77279687       7.20311499    
 H   -6.29413033       2.01621008       7.14006996    
 H   -7.40669918       2.65317631       8.00523376    
 O   -4.97193670       2.96785975       3.64637971    
 H   -5.87519932       2.79527736       3.93808365    
 H   -4.69565868       2.23439527       3.08487773    
          69
 Energy    -249.79552018017745     
  O     13.48734550     11.45950719    -15.88622404
  H     13.69041372     12.20197979    -15.30332438
  H     16.82905268      3.73272523    -12.51013867
  O     17.10062089     10.39193384    -13.40315407
  H     13.08557586     10.78227000    -15.32688482
  H     13.41031292      8.70141200    -10.93396681
  O     12.61900052      5.53667333    -12.32424228
  H     16.22001409     10.59002653    -13.05848650
  H     14.41372737      9.86661605    -11.09898975
  O     18.16862169      7.60302855     -9.01323456
  H     17.64611784     10.11725516    -12.65254581
  H     18.63323246      6.19747199    -16.28722309
  O     16.88530675     12.59242633    -15.12810392
  H     12.91664770      5.23542242    -13.18902315
  H     17.64792536      7.24017820    -15.71562027
  O     15.71761273      7.22562326    -12.26073524
  H     13.30926659      5.27452783    -11.69662827
  H     14.47030432     14.36613137    -13.93227744
  O     14.52147839     11.06576598    -12.52329253
  H     18.40230197      6.79870542     -9.51005966
  H     15.40769837     13.24139185    -14.43650450
  O     18.42921235      6.99889650    -12.87376869
  H     18.76275118      7.64185981     -8.26776101
  H     13.38978781      8.76613449    -14.35895345
  O     18.56067555      9.30979793    -11.34717178
  H     17.15159506     11.90360093    -14.50199981
  H     12.30058851      9.03796801    -13.29968677
  O     16.47588109      4.30366865    -14.14214275
  H     16.65649880     12.12733691    -15.94125683
  H     15.68097145     11.16554159    -18.15598860
  O     13.79420555      4.96495996    -14.89713504
  H     15.37487667      7.93604875    -11.70407081
  H     14.92743280     11.09178082    -16.80723014
  O     16.95778740      3.45443574    -11.58592327
  H     15.45563132      6.40381730    -11.82529099
  H     11.00238542      8.02472970    -11.30762064
  O     14.27633144      9.02300626    -10.64867815
  H     13.91238610     10.52998029    -13.05218742
  H     12.07941670      7.13780684    -11.97556280
  O     18.00333180      6.34512791    -15.58563752
  H     14.47910577     11.95966858    -12.88350725
  H     14.96831434      7.81552228     -9.33671587
  O     14.52645843     13.42383562    -14.06289342
  H     18.46533243      6.74422449    -13.80039574
  H     16.32863304      7.26511030     -8.87271574
  O     12.78868770      9.44809208    -14.02450382
  H     17.48827529      7.09260234    -12.65245002
  H     15.53593596      4.43403212    -10.85147592
  O     15.78728655     10.93386368    -17.23733941
  H     18.72847261      8.54830743    -11.92170416
  H     15.02896358      5.64464789     -9.97592598
  O     11.83684896      8.05855047    -11.76776929
  H     18.38604689      8.92534393    -10.48146417
  H     18.80709303      5.94367375    -11.42285118
  O     15.38771735      7.05162111     -8.92012500
  H     16.98013743      4.94672083    -14.65285270
  H     18.19665239      4.68831650    -10.79703174
  O     14.81726954      5.06397280    -10.72421507
  H     15.55422067      4.41461156    -14.40576961
  H     14.99832148      7.39930821    -13.84787429
  O     18.74501604      5.45325429    -10.59028977
  H     13.31785316      4.74942028    -15.69514320
  H     15.36256127      8.00087996    -15.22399609
  O     14.65874259      7.54621487    -14.74635255
  H     14.04813145      5.90185331    -14.96469463
  H     16.58050349      9.52747764    -16.34933448
  O     16.89404171      8.87369558    -15.71187571
  H     17.07097422      2.50763509    -11.59926639
  H     17.04333364      9.34569568    -14.87745459
          69
 Energy    -249.79494492626361     
  O     16.33604673      4.26735558     -9.29512965
  H     15.99378561      5.11356025     -8.97160350
  H     12.62443867      6.58120114    -15.47770379
  O     18.40139033      7.74976163    -11.80248696
  H     15.57965480      3.81706970     -9.69137277
  H     15.51687909      5.73921384    -12.30000809
  O     13.36204240      8.04778553    -12.70286936
  H     18.38216375      6.86150079    -11.43021825
  H     14.43436139      5.10132626    -11.40241832
  O     12.99856479      7.35542128    -17.11906012
  H     18.31364942      7.64243946    -12.75940985
  H     19.10877829      4.51660262    -10.78847237
  O     16.99033415     10.05137662    -11.50562804
  H     13.84142181      7.31149605    -12.28840708
  H     17.62520857      4.68856081    -10.39670864
  O     15.14822563      6.77505003     -9.06784529
  H     12.93629168      8.54343229    -11.99312709
  H     11.65318302      9.86405518    -10.14472670
  O     11.34755358      4.28026316    -12.95204255
  H     12.41113479      7.72181837    -17.77431106
  H     12.27071832      8.46139451     -9.92439965
  O     15.15401069      5.47633220    -17.31321374
  H     13.66703606      8.03753925    -16.92592472
  H     11.98175831      6.09677377     -9.49597030
  O     15.02357046      9.07467084    -16.57116405
  H     17.51722312      9.23213738    -11.51191980
  H     13.26097897      6.78041196     -8.94761685
  O     17.18065956      7.28527254    -17.24985194
  H     17.60284770     10.76781402    -11.35766941
  H     14.74991818      8.90503715    -13.45685089
  O     17.55157180      7.47661747    -14.48774922
  H     15.10754284      6.54805815    -10.00869047
  H     16.01355032      9.71016077    -13.06491499
  O     12.62077667      6.18628853    -14.59727622
  H     15.23926812      7.73815512     -9.03740295
  H     14.20020524      9.58697154     -9.79423345
  O     14.77419345      5.94794669    -11.72087741
  H     11.65280283      4.97186742    -13.55385690
  H     15.69808470      9.74917670    -10.14853961
  O     18.29830408      4.94513553    -11.05119296
  H     11.91651186      3.51852207    -13.11627096
  H     11.29574229      4.47055210    -11.21650407
  O     12.36751430      9.29619718    -10.41952739
  H     15.01873601      4.89425347    -16.55529179
  H     10.61019966      4.06000858     -9.89137226
  O     12.32348669      6.92328753     -9.13644164
  H     14.35962267      6.02245897    -17.37037287
  H     17.39986607      4.89344960    -12.66535979
  O     15.55637331      9.30556906    -13.81260256
  H     15.18310731      9.31029403    -15.64752009
  H     17.11694623      5.87580033    -13.84446037
  O     15.09278791      9.50300634     -9.43845472
  H     15.81717688      8.61521708    -16.87165270
  H     13.10108812      3.70362828    -10.41298990
  O     11.39678903      4.46521791    -10.24780302
  H     17.72016952      7.21847110    -18.03278813
  H     13.84937030      2.94154245    -11.53610818
  O     16.81154210      5.06448804    -13.41213057
  H     16.51074438      6.58033530    -17.30737601
  H     13.88339060      2.89579745    -13.88205091
  O     13.98022845      3.45111877    -10.72615123
  H     16.84170595      8.09949570    -14.27167547
  H     13.43545715      1.43352792    -13.65413387
  O     13.42127822      2.30356139    -13.26410601
  H     17.57615831      7.40988092    -15.45000736
  H     13.96058593      4.92331395    -14.69171065
  O     14.60539450      4.21102367    -14.81962502
  H     12.79999051      6.89903062    -13.96713545
  H     15.41673845      4.45258568    -14.34826789
          69
 Energy    -249.79473655435964     
  O     11.61619099     11.40743680    -13.43178151
  H     11.62107358     10.66583630    -12.79894571
  H     20.54136311      9.30208433    -14.31096067
  O     20.67693177     10.21011836    -11.21948736
  H     10.70417807     11.57650158    -13.65160281
  H     13.94109338      6.74871966    -13.47136557
  O     17.07595172     11.82833746    -11.88012830
  H     20.77408794      9.25516120    -11.33026287
  H     14.43656295      7.19953738    -14.88368014
  O     13.27773707      7.00210804    -11.67127344
  H     19.91520567     10.33190649    -10.64180962
  H     15.68928491      9.08969151    -12.67175405
  O     18.04866267      7.60250938    -10.85443529
  H     16.39677465     11.16714960    -12.09000242
  H     14.76298053     10.18609654    -13.29007642
  O     15.36066357      7.48079745     -9.92722416
  H     16.65128863     12.69251489    -11.94527900
  H     16.01575280      9.92214343     -7.40617394
  O     20.66882343      7.43039087    -11.88125687
  H     12.86640018      6.20105766    -11.35273509
  H     16.67600485     10.05151700     -8.79587547
  O     13.95993453     10.80127530    -14.81899128
  H     14.01859589      7.18089297    -11.06668704
  H     21.69659383     11.59608788    -13.89041150
  O     17.63918422      8.97528377    -15.43373647
  H     17.58407732      7.58298615    -11.70780776
  H     20.81887728     10.87794145    -12.83819429
  O     18.10587655     10.21882010     -9.88422429
  H     18.96955853      7.40711302    -11.06142823
  H     16.62283843     12.49813962    -14.95951381
  O     14.87967041      8.63931857    -16.17219345
  H     16.28543521      7.33870426    -10.16644169
  H     15.67362196     13.42000417    -14.17101366
  O     20.23222405      8.39098566    -14.39552599
  H     15.37575778      8.22136231     -9.31110341
  H     15.59699957     15.06713546    -12.15243682
  O     14.48536854      6.49317612    -14.22789861
  H     20.49494461      7.68069834    -12.80655928
  H     14.71223005     13.79650182    -12.13666349
  O     15.22749331      9.91674224    -12.48735979
  H     21.34806101      6.76179926    -11.90155713
  H     12.64397323     12.60024659    -12.30027005
  O     15.83570765      9.87387740     -8.34149368
  H     14.51606238     11.58871158    -14.93133357
  H     13.45569085     12.30499666    -11.02616954
  O     20.88142080     11.11397859    -13.78125816
  H     13.10928433     11.06508584    -14.44788214
  H     19.13783749     11.49210608    -14.33315891
  O     15.72955166     12.86605313    -14.95981846
  H     17.74853587      9.89734725    -15.15720658
  H     17.84089973     11.62159479    -13.51740217
  O     15.57997837     14.14890985    -12.40686401
  H     16.75926124      8.88300823    -15.81836393
  H     12.23839882      8.58011514    -11.69638270
  O     13.25971887     12.99674922    -11.67412805
  H     17.79366906     10.83257924    -10.56643609
  H     12.37919916      9.89115189    -10.91701069
  O     18.17725102     11.52472806    -14.42032799
  H     18.07493147      9.32027812    -10.24864146
  H     14.34169107     10.35694195    -10.97522407
  O     11.83243577      9.44793450    -11.58057545
  H     14.49211874      9.42587291    -15.75128563
  H     14.46976654     10.53493542     -9.44483823
  O     13.89338508     10.71981137    -10.19385425
  H     14.52797908      8.60067574    -17.05847018
  H     17.14186513      8.07253565    -13.95345177
  O     16.72144667      7.65505809    -13.19062981
  H     19.40086072      8.44347881    -14.88218041
  H     16.02133046      7.07812692    -13.52644576
          69
 Energy    -249.79471273844285     
  O     10.28711355     11.26931207    -12.08717776
  H      9.40110414     11.22799328    -11.73713230
  H     12.50428743     12.81859956    -10.25156635
  O     15.14038679     10.51374173    -12.81160582
  H     10.86276726     11.56427579    -11.35895742
  H     13.90307887     10.82715556    -17.74447747
  O     17.60646922     12.78134351    -14.39293459
  H     14.78763549      9.87039034    -12.18224488
  H     12.70884127     11.78312146    -17.63188635
  O     16.60997664      7.53237928    -11.75591047
  H     15.97009862     10.86461160    -12.46357722
  H     14.66602060     13.19301275    -14.71447781
  O     11.45513036     11.98380225    -14.52178125
  H     16.82257959     13.13621701    -14.82707994
  H     14.23186068     13.53952245    -16.13654016
  O     12.35360030     13.46302401    -16.69473644
  H     17.99661145     12.16852821    -15.02842327
  H     18.92258362     11.03113821    -17.13350393
  O     15.69416519     10.90139459    -16.89430085
  H     16.54075782      7.15644679    -12.64204879
  H     17.46387743     10.83615608    -16.66133237
  O     13.91787571     10.31905077     -8.95897595
  H     15.71396367      7.77782455    -11.49029956
  H     13.86578217     15.02503556    -10.88548048
  O     13.75705535     12.80552490    -13.19389530
  H     11.74778426     11.11614090    -14.84236898
  H     13.82407371     13.70667088    -11.69599994
  O     14.98818188      8.97715564    -15.05484596
  H     10.92256850     11.82207537    -13.73251769
  H     18.65484130      9.37228001    -15.22219558
  O     18.74424695      9.20099657    -11.86793720
  H     11.93967126     13.01931148    -15.93557713
  H     18.84102633      8.89774686    -13.75465976
  O     11.95235954     12.04135729    -10.10229448
  H     11.72589054     14.10995914    -17.00748498
  H     16.39391183     12.07802102    -10.39987725
  O     12.94342504     10.87072074    -17.83919321
  H     15.44915048     10.17893125    -16.29521566
  H     15.16108404     12.93730493    -10.03396974
  O     15.00961601     13.31632948    -15.61166803
  H     15.46484759     11.72985456    -16.44895493
  H     13.22438093      9.23385029    -15.29066836
  O     18.38902388     10.85151577    -16.36304792
  H     14.61570757     10.95664941     -9.19779027
  H     12.36070069      9.87075349    -16.38328191
  O     13.83279302     14.07649859    -10.79550864
  H     14.02464071     10.12943305     -8.03060118
  H     17.45775888      7.39718757    -14.63836667
  O     18.71519584      8.58993657    -14.66085362
  H     12.91627375     12.57613102    -13.60942828
  H     16.88349324      5.99204106    -14.95603654
  O     15.70291309     12.19677280     -9.73471217
  H     14.21925676     11.97061982    -13.01802315
  H     11.23478672      9.62532595    -12.45146702
  O     12.32192513      9.53137259    -15.47762165
  H     15.10666972      9.52142643    -14.26094052
  H     11.87900790      8.94230595    -13.66684610
  O     16.67988751      6.81914005    -14.52862538
  H     15.48694521      8.16284715    -14.92525849
  H     17.59815026     12.14150668    -12.70958358
  O     11.80538180      8.89096978    -12.70647571
  H     19.42953363      8.88042888    -11.28721157
  H     18.02226237     10.89837831    -11.84959930
  O     17.45913725     11.68339532    -11.86657840
  H     17.98102075      8.60469489    -11.75648811
  H     13.23386461      8.59284109    -11.65336711
  O     14.06828836      8.58539521    -11.15929391
  H     12.52174660     11.39839930     -9.66234807
  H     13.94252793      9.08553104    -10.34270718
          69
 Energy    -249.79444029342386     
  O     11.40712977     11.58885559    -15.48482794
  H     10.66311123     11.98620017    -15.04056955
  H     15.84566179      8.24458508    -18.39192320
  O     13.43387221     10.03484570    -19.64277615
  H     11.75974941     10.90438125    -14.88874404
  H     13.91367669     10.02006805    -12.83953830
  O     11.59675463      7.24543218    -16.42356445
  H     12.98288646     10.07435940    -20.48160939
  H     15.17981610     10.90056421    -12.71227690
  O     14.26207432      8.48037016    -10.09091478
  H     12.74424754      9.95565080    -18.95661601
  H     17.78592451      9.75900389    -15.13446772
  O     14.12924818     12.13127591    -16.04570321
  H     11.46489139      7.13256744    -15.47488947
  H     17.17264594      8.50236204    -14.42415969
  O     17.84792292     11.64499734    -18.10231142
  H     12.36552583      6.70575193    -16.64182566
  H     16.90133250      6.69571976     -9.70488803
  O     15.23103741     11.99233125    -18.59368797
  H     14.36540627      9.17510510    -10.75607421
  H     15.60848170      7.37879191    -10.21731906
  O     18.28054784     11.56608190    -15.34760427
  H     13.44936886      8.00550940    -10.30223655
  H     14.17202802      5.06166205    -17.43363257
  O     14.23942716      5.06702326    -11.50008415
  H     13.17677741     12.15634638    -15.89640276
  H     14.41436148      6.58614294    -17.50218219
  O     11.63951408      9.73096287    -17.67723407
  H     14.37332459     11.19169492    -16.05010200
  H     15.72770310      8.71446394    -12.76615745
  O     14.72372712      9.40767485    -15.93152990
  H     16.90513220     11.79133652    -18.30287301
  H     16.43241916      7.46939165    -12.16996839
  O     14.90316453      8.01444393    -18.38602861
  H     18.34239240     12.07954253    -18.79231163
  H     11.56749042      6.23115496    -10.13591936
  O     14.71407747     10.15177224    -12.31268744
  H     14.64120973     11.36548116    -19.02853995
  H     12.84017311      6.00544139    -10.98613030
  O     17.41445414      8.87992167    -15.28134119
  H     14.80736331     12.21898952    -17.75402488
  H     14.43266488      6.00099258    -15.09181625
  O     16.30664426      6.73783119    -10.44823033
  H     19.13082886     11.95799254    -15.16195952
  H     15.07982908      6.74611895    -13.87414321
  O     14.09399945      5.86824707    -16.92985500
  H     18.14045874     11.64468803    -16.30509815
  H     17.58570218      8.63538913    -17.11713619
  O     16.24509638      7.92848377    -12.99728598
  H     15.01900773      5.47087025    -11.09812092
  H     17.68893990      9.70240032    -18.21222139
  O     12.13116252      6.64337284    -10.78554944
  H     14.32489894      5.22090371    -12.45084913
  H     13.34871802      9.45447591    -14.76320241
  O     14.41913330      6.08912344    -14.13113651
  H     11.55860561      8.86442033    -17.25193522
  H     12.28388296      8.75409365    -13.87041976
  O     17.50971148      8.76573056    -18.07346727
  H     11.45331654     10.39203248    -17.00283734
  H     12.73991282      6.67174449    -13.77945620
  O     12.66376683      9.61339061    -14.09464606
  H     15.63768074      9.26989125    -15.65317524
  H     11.76000143      6.92866272    -12.61631781
  O     11.86761874      7.04002506    -13.56820124
  H     14.63337717      8.96660785    -16.78401427
  H     15.25939587     12.31348138    -14.53272481
  O     15.89470027     12.13219872    -13.82723598
  H     14.43277699      8.64238960    -18.94733489
  H     16.74241940     12.02179719    -14.27151760
          69
 Energy    -249.79426894454929     
  O     11.66720007      9.76505175    -14.32390405
  H     11.50448974      9.13955931    -13.60726680
  H     21.06589761      7.12518814    -14.50190100
  O     16.87239591      5.96793486    -12.65336195
  H     11.80314927      9.24348456    -15.12397056
  H     15.28576763     10.03006098    -16.53555250
  O     17.74208764     10.08103347    -11.73757039
  H     17.58962298      6.45920205    -12.22663534
  H     14.18536348     10.93373899    -15.93011819
  O     16.79927117      9.10339794    -15.99368060
  H     16.14876377      5.89528079    -12.01673096
  H     15.98482393      7.29568477    -13.47842721
  O     13.87545314      6.36391022    -15.57834666
  H     16.82711775     10.21972517    -12.02011484
  H     14.75882567      7.45004381    -14.41560559
  O     15.14906755      8.82854006     -8.44577360
  H     17.74236690     10.19730773    -10.77858546
  H     10.49078865      7.62048475    -11.86141744
  O     14.71588346      6.09989974    -10.93677468
  H     16.31261596      8.72457960    -15.24501993
  H     11.77855216      7.09194095    -12.53792299
  O     15.08441759     10.25357243    -12.55025185
  H     17.58569498      9.50598783    -15.60094049
  H     18.20970719      8.28653766     -8.84617401
  O     16.34040618      6.60073388    -17.04158466
  H     13.30454984      7.00498763    -16.02561390
  H     18.70169017      7.28695568     -9.89926298
  O     16.03029202      6.08114390     -8.45368150
  H     14.66976638      6.27473961    -16.12043463
  H     13.47016421      5.66024431    -12.36659134
  O     18.25688337      5.72518294    -15.06567986
  H     14.51329659      8.85653524     -9.17393098
  H     13.15590132      5.76163392    -13.89086016
  O     20.20786121      7.41977614    -14.20915630
  H     15.34919464      7.89478110     -8.30935523
  H     18.59205391     10.14850871    -13.52755962
  O     14.38102834     10.34305366    -16.66775521
  H     15.10741182      5.94801355    -10.06701895
  H     19.42913001      9.16094513    -14.36850903
  O     15.41938236      7.94574679    -13.91634907
  H     14.37367644      7.00499899    -10.91781902
  H     18.51336674      8.44074724    -11.74914668
  O     11.32427120      7.89799993    -12.23265201
  H     14.61303170     10.88331903    -13.10795208
  H     19.50707775      7.49489826    -12.48029110
  O     18.37100090      7.34631185     -8.99268658
  H     15.16599236      9.43161900    -13.06238165
  H     17.66602949     10.75680224     -8.25179707
  O     12.75688525      5.74176863    -13.01246737
  H     16.56678193      7.51441435    -16.79610872
  H     16.63157484      9.71290321     -8.73360888
  O     18.88682185      9.95815902    -14.42600486
  H     16.51087353      6.51893208    -17.97692639
  H     12.76732052      8.52527751    -11.19605056
  O     18.92310572      7.56292663    -11.71545653
  H     16.90892789      6.46024007     -8.63703174
  H     14.09170453      9.32683386    -11.34676950
  O     17.51218526     10.08844309     -8.91423214
  H     16.14244875      5.46330166     -7.73642225
  H     12.78897849     11.08343581    -14.28155553
  O     13.61834710      8.70244672    -10.77873796
  H     17.73205998      5.62318912    -14.25870485
  H     13.09909962     12.60216390    -14.28295679
  O     13.50762907     11.74172997    -14.32255549
  H     17.62934114      5.90856710    -15.77274655
  H     11.93114505      8.53821760    -17.55019889
  O     12.44708553      8.45785890    -16.75238195
  H     19.55450088      6.80372363    -14.58600521
  H     13.14772803      9.13464765    -16.79870653
          69
 Energy    -249.79383472220707     
  O     11.27639195      9.06201704    -12.43681260
  H     10.33897157      8.88880778    -12.47428664
  H     15.63027334      8.06529209    -17.22255738
  O     16.77330903      7.90489141    -14.56617451
  H     11.62278118      8.92982262    -13.33748773
  H     18.03877716      9.12817093    -14.32130123
  O     17.32590104     11.57179821    -12.25750317
  H     16.06817208      8.52780838    -14.32607417
  H     19.33607621      9.57536679    -13.59610008
  O     15.74400771     12.45238173    -14.34474282
  H     16.53930746      7.53713939    -15.42693597
  H     12.82067107     12.47505197    -13.71751534
  O     13.45318089      6.29105280    -15.53068538
  H     17.78205190     10.94925674    -12.84054105
  H     12.46674764     13.72367523    -14.55777032
  O     17.87416556      8.43052569     -8.86052435
  H     16.77827002     12.09991076    -12.85478781
  H     15.16135002     10.62980300    -14.17525894
  O     16.54508211      6.32080979    -12.33806086
  H     14.85341115     12.76082030    -14.55435378
  H     14.82930622      9.88262325    -12.87959438
  O     14.95172129     10.52695873    -11.15944067
  H     16.24276700     12.30836966    -15.15790420
  H     13.74174723      7.43548106    -10.82857296
  O     17.57718482     11.42959649    -16.23762118
  H     14.24379293      6.46854164    -16.05488901
  H     12.44139122      7.77524247    -11.61332593
  O     18.96663756      6.92144544    -11.05325250
  H     13.73964873      5.84822744    -14.72257154
  H     19.92502167      8.12413574    -11.86805166
  O     15.50775597      9.77144752    -17.39384802
  H     18.11140014      8.49549246     -7.93951509
  H     21.32897609      8.64792024    -12.25283430
  O     15.76109721      7.11795260    -17.02872848
  H     18.25181074      9.21112594     -9.30420141
  H     13.62557420      5.80511273    -12.40044663
  O     18.61794956      9.88896057    -14.15979201
  H     16.69624549      6.84724684    -13.13701102
  H     13.69663344      4.29670627    -12.73469697
  O     13.00767898     12.93864422    -14.55396146
  H     15.77703939      5.76826767    -12.52744847
  H     19.59817026     10.02407673    -10.90495855
  O     14.91564930      9.76182030    -13.83398691
  H     15.80542547     10.91320284    -11.39797110
  H     18.42075723     11.01077774    -10.83764423
  O     13.02491976      7.05429849    -11.35068042
  H     15.12806933      9.66332873    -10.76164256
  H     12.72464300     10.13612947    -16.10063028
  O     20.40459031      8.88149911    -12.25076314
  H     18.26098132     11.83711877    -16.76415891
  H     13.00185012     11.64048840    -15.97219410
  O     14.07055893      5.14421513    -12.96215938
  H     18.02806215     10.92216635    -15.54274914
  H     15.87090323      7.41346566    -11.01479660
  O     18.99230910     10.45630753    -10.29046583
  H     18.18938133      6.56319352    -11.50258051
  H     16.23661331      8.09503954     -9.67748682
  O     13.10783041     10.89068497    -16.56847322
  H     18.64442500      7.29342773    -10.22317137
  H     13.37087452     11.35607714    -11.72761346
  O     15.51331678      7.96418285    -10.30335906
  H     14.66846000     10.20660564    -17.18215185
  H     12.03340287     10.79594550    -12.23385932
  O     12.57650427     11.59343351    -12.22485084
  H     16.21153305     10.34533251    -17.07467864
  H     13.36198330      9.13120590    -14.49881115
  O     12.52704412      8.76081492    -14.82442216
  H     16.04011281      6.70703527    -17.84204627
  H     12.72808148      7.86408363    -15.12931711
          69
 Energy    -249.79369879250629     
  O     11.73164541     10.10237612    -14.48211000
  H     11.55588481      9.53821875    -13.71930427
  H     15.49921228     10.51911983    -16.33789592
  O     16.62784720      5.91507465    -12.91735544
  H     12.33697648     10.79709650    -14.19672615
  H     15.86503627      7.38274326    -13.61911948
  O     17.74573260      9.82140568    -11.54568797
  H     17.36614810      6.30200204    -12.42435550
  H     14.68966264      7.72299191    -14.57177389
  O     16.88346829      9.36112061    -15.91709576
  H     15.88226104      5.83022195    -12.30815312
  H     10.37889788      8.01865538    -12.09706391
  O     15.00946275      8.39837014     -8.42788911
  H     17.73083070      9.83223901    -10.57973571
  H     11.65039048      7.46156379    -12.78219851
  O     14.43740395      6.02119381    -11.24073794
  H     16.84937911     10.05309706    -11.82638035
  H     18.02468620      7.69263610     -8.85236078
  O     15.11967791     10.26159636    -12.37584926
  H     16.34437832      8.94938268    -15.22371096
  H     18.47443186      6.78182904     -9.99986042
  O     16.32158433      7.01436933    -17.23312271
  H     17.68232612      9.66275508    -15.46321168
  H     12.95084142      6.15286198    -14.26494971
  O     15.68995778      5.61259352     -8.75743595
  H     15.13930036      7.44292388     -8.40129261
  H     13.20841130      5.87017231    -12.75345519
  O     18.08780021      5.81126553    -15.29673357
  H     14.39399599      8.55856153     -9.15663407
  H     19.45464345      9.06738493    -14.21952614
  O     20.11781644      7.27265868    -14.22518314
  H     14.15997099      6.93979895    -11.11499493
  H     18.65333277     10.01518142    -13.30149880
  O     14.65868130     10.99233728    -16.40276576
  H     14.79625023      5.73719004    -10.39013816
  H     18.41082850      8.14304015    -11.71631603
  O     15.36086490      8.11453744    -13.99925538
  H     15.16848714      9.49977046    -12.97741458
  H     19.36439817      7.21391211    -12.51945227
  O     11.25472157      8.26007761    -12.38747713
  H     14.70673010     10.97931906    -12.87012445
  H     17.64611713     10.11899130     -8.00817238
  O     18.12503588      6.76487516     -9.09847354
  H     16.59028646      7.88281226    -16.88655045
  H     16.55098504      9.20591123     -8.60711149
  O     12.52763202      6.09640804    -13.39982387
  H     16.51545936      7.02052936    -18.16741416
  H     13.29577114      7.55292714    -16.28343563
  O     18.96475510      9.89977042    -14.20698099
  H     16.59679953      5.94789800     -8.87782083
  H     14.60176845      6.72527608    -16.39703453
  O     18.76084326      7.24060268    -11.76738128
  H     15.74091149      4.90840963     -8.11685871
  H     12.68271287      8.60454918    -11.23040695
  O     17.45649311      9.53939965     -8.74121312
  H     17.52417015      5.66949051    -14.52271217
  H     14.07145522      9.29835457    -11.27035778
  O     13.79431160      6.82904270    -15.87766480
  H     17.50464863      6.10948626    -16.00285294
  H     14.14042199     11.74681979    -14.92110374
  O     13.53320379      8.66116404    -10.77910397
  H     19.43767751      6.74273350    -14.67810136
  H     13.72488593     12.99990840    -14.11258940
  O     13.79136927     12.05025844    -14.06306103
  H     20.96358385      6.95094797    -14.52492074
  H     11.83538652      9.23957723    -17.51291738
  O     12.51394694      9.10838825    -16.85600942
  H     14.00211603     10.35024851    -16.69732350
  H     12.16240205      9.45661268    -16.01528392
          69
 Energy    -249.79282723823420     
  O     14.53317632     11.42984801    -17.17293715
  H     14.22385475     11.27021470    -16.26130430
  H     17.81585846      5.46586434    -12.71591798
  O     16.24950510      5.03646126    -13.32035983
  H     13.90122546     12.01860302    -17.57571579
  H     19.26393809     10.30451327    -18.70581742
  O     18.55640676     13.65311629    -11.44522296
  H     15.47757168      5.54160490    -13.03444400
  H     19.21512662      9.77191328    -17.25630126
  O     20.07596675      9.24338740    -15.82819927
  H     16.23657814      5.01792033    -14.28410469
  H     16.85743112      9.77826919    -15.34936525
  O     14.96683409      7.40941579    -16.57684515
  H     18.26419695     13.31037475    -12.30280698
  H     16.04873673      8.45698033    -15.52604295
  O     18.68696262     10.51087069     -9.70311120
  H     17.87137958     13.38740033    -10.82021782
  H     14.22242593     11.23193884    -13.78565059
  O     15.87435297      8.89573107    -12.38206775
  H     20.08250991      9.67761961    -14.96536180
  H     13.54274231     10.04482625    -14.53171552
  O     17.77094339     12.13596957    -13.64447918
  H     19.79091050      8.33673653    -15.65535311
  H     18.62387185      7.47907455    -11.76032593
  O     18.66210961      6.92783449    -15.09459662
  H     15.24926444      7.93023200    -17.34494476
  H     17.52203466      8.56638836    -11.77277275
  O     14.20418321      6.74163801    -12.37223418
  H     15.48177386      6.59444893    -16.55947462
  H     13.66161507      7.91374137    -15.36551813
  O     16.74355975      5.24923134    -16.16283834
  H     18.62161823      9.69443971    -10.21559934
  H     13.38051455      7.68090463    -13.87147459
  O     18.71502315      5.77587652    -12.50227111
  H     19.45953563     10.97272035    -10.05127443
  H     21.49413323     12.45798368    -10.87166849
  O     18.66498662     10.08281477    -17.99762735
  H     16.13089089      8.86772372    -13.31728111
  H     20.00375867     12.68205384    -11.22282007
  O     16.71908433      8.89727145    -14.98482078
  H     15.63321413      9.81364433    -12.20114782
  H     20.27404813     10.82279908    -12.54138263
  O     13.82834089     10.96702451    -14.62202805
  H     17.54747133     12.07974575    -14.58362440
  H     19.37368818      9.56861507    -12.65049455
  O     18.45297459      8.40580249    -11.55745522
  H     18.45324153     11.46908134    -13.48875592
  H     16.34360508     12.50359114     -8.88354728
  O     13.18095481      8.27105164    -14.60556357
  H     18.03389854      7.66330371    -15.00216853
  H     17.31936684     11.62098701     -9.69514735
  O     20.69512062     12.00290489    -11.12240644
  H     18.81156410      6.56434670    -14.21307343
  H     16.21098440     11.80977791    -12.78072512
  O     19.80528514     10.26051695    -13.17151175
  H     14.77437104      7.52451842    -12.27494772
  H     15.65305284     11.89220337    -11.34947144
  O     16.62347377     12.29822539     -9.77156330
  H     13.70232596      6.66325244    -11.56449970
  H     16.23313271     11.61207581    -16.57022972
  O     15.43275189     11.59832549    -12.24194981
  H     17.50389831      5.79160839    -15.89330026
  H     17.69261757     11.15620625    -16.88094302
  O     17.11545285     11.50650697    -16.19063412
  H     17.07748621      4.57955216    -16.75457516
  H     16.82566281      9.43736002    -18.33916956
  O     15.89216524      9.20649732    -18.40907305
  H     19.19594661      5.02323787    -12.16900689
  H     15.39428545      9.97441188    -18.09797805
          69
 Energy    -249.79168259520782     
  O     12.95930153     10.18369709    -15.05138412
  H     12.54297660      9.94788395    -14.20751642
  H     16.10475965      4.65674492    -15.44168041
  O     15.85949333      5.34972652    -12.40138165
  H     12.33220319     10.73002256    -15.52100361
  H     19.28826085      6.93107875    -14.18909959
  O     18.27997200      9.03107557    -11.27072402
  H     15.18126067      5.65817266    -11.78592092
  H     18.74541202      5.64860967    -14.82697282
  O     17.70692700     10.24871812    -16.15567624
  H     16.72373071      5.54481825    -12.01304298
  H     16.21772920     11.06350900    -15.21461685
  O     12.89765139      5.46752044    -15.29881802
  H     18.28372144      9.08594464    -10.30732316
  H     14.71285055     11.03817903    -14.84692368
  O     15.20285426      8.79802167     -8.29839671
  H     17.45200479      9.44461886    -11.55752438
  H     15.42553646      7.70918719    -14.63115632
  O     13.91351855      6.41534659    -10.74111191
  H     18.37771143     10.79845977    -16.55419837
  H     15.94606639      6.85464221    -13.42994331
  O     15.87792318      9.94601916    -12.31435371
  H     18.13382410      9.78228621    -15.41652989
  H     10.81754380      9.51632708    -12.40651145
  O     16.70932966      7.76655893    -17.22545848
  H     12.33674546      4.86465972    -15.77905454
  H     11.79895614      8.38056152    -12.78776868
  O     15.02118775      5.92629791     -8.22578152
  H     13.75829932      5.02221053    -15.18681407
  H     17.97490248      5.97822361     -9.69081009
  O     17.61270121      5.33956606    -16.34845877
  H     15.03397664      7.85835924     -8.15573726
  H     17.88320762      7.05111128     -8.59141864
  O     15.32674257      4.39851633    -14.93319701
  H     14.64189580      9.06062497     -9.03941499
  H     12.65708467      6.41571688    -12.14175374
  O     19.28183507      5.97005096    -14.09239641
  H     14.19124308      6.13696352     -9.85914199
  H     12.35586082      6.21640224    -13.65578940
  O     15.56224721     11.42562557    -14.60527295
  H     13.91269480      7.38309529    -10.73292016
  H     18.74245603      8.96658751    -13.13881626
  O     16.01912959      7.70956710    -13.87169001
  H     15.81765760     10.64370763    -12.98045574
  H     17.72936460      8.28522943    -14.07752232
  O     11.70902432      9.34871625    -12.70159980
  H     15.86612831      9.11521078    -12.81638624
  H     18.32266404      7.15828806    -11.43776929
  O     17.66076626      6.13308115     -8.78986350
  H     15.77768826      7.79782241    -16.96630569
  H     18.76596545      5.98174742    -12.34905781
  O     12.08678292      6.70199529    -12.86735195
  H     17.07486668      8.62465176    -16.98225999
  H     18.25977535      9.49141173     -7.75315458
  O     18.59584722      8.72569947    -14.06185702
  H     15.97615799      5.91536889     -8.42061471
  H     16.94278173      8.99818259     -8.39795519
  O     18.33639568      6.19380282    -11.50734832
  H     14.87882044      5.31168510     -7.51141771
  H     13.65102742      7.06514113    -15.84311272
  O     17.91334667      8.97827567     -8.47820733
  H     17.99551011      4.87771099    -17.09070210
  H     13.70452503      8.62618220    -15.74410854
  O     14.19875284      7.84247431    -16.01384313
  H     17.33122763      6.20946569    -16.68089023
  H     13.02779115      9.38142945    -11.27359703
  O     13.79900424      9.22556197    -10.71916400
  H     15.54321453      4.56210171    -14.00359397
  H     14.55845387      9.55933496    -11.22262440
          69
 Energy    -249.79115596507023     
  O     16.58303611      9.72516957    -16.91744351
  H     15.65105805      9.93280841    -16.79488715
  H     17.07656803      5.38506213    -12.30405466
  O     15.68167632      5.08798009    -13.30093317
  H     17.09261908     10.53584455    -16.74866078
  H     20.02115343      9.43910584    -16.91431463
  O     16.79097802     13.58310939    -11.43152931
  H     14.80888419      5.47337501    -13.16824440
  H     21.31804291     10.28447171    -16.90693409
  O     19.82522255      8.79854810    -14.01769623
  H     15.90658882      5.27450265    -14.22302678
  H     16.44037032      8.47847909    -13.91182650
  O     16.13179395     10.48318834     -9.52812578
  H     17.40917545     13.18703839    -10.80299052
  H     16.92845287      8.93708824    -15.33742444
  O     15.10555421      8.57788270    -12.66221681
  H     15.92429344     13.22095165    -11.21147149
  H     14.12858377     10.55952800    -15.17425437
  O     17.38255089     11.83831653    -13.48005055
  H     18.88630877      8.64070691    -14.21553953
  H     13.25101384     10.68714202    -16.43751143
  O     19.67259512      6.00175580    -14.03804607
  H     20.19444631      9.26353076    -14.77822994
  H     17.44762637      7.28026068    -11.06228536
  O     13.23471198      6.61319862    -13.28978958
  H     16.41489848      9.60438418     -9.80950403
  H     16.34519060      8.28875455    -11.44986511
  O     18.96490115      5.59631990    -16.64177929
  H     16.93961160     11.00814479     -9.46043679
  H     14.60862748      6.86347044    -16.04281554
  O     16.33481148      6.10131198    -15.83549040
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  H     13.82728924      8.21054464    -15.99384223
  O     17.88106917      5.59382642    -11.79586294
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  H     18.78869998     11.33804426    -10.53694411
  O     20.53507109     10.08888099    -16.39984635
  H     17.22789469     12.58563455    -12.88360908
  H     19.33640005     12.13176491     -9.32832969
  O     17.15580443      8.41202411    -14.55598437
  H     17.88510872     11.18752049    -12.97484572
  H     19.39164392      9.67821677    -12.50601983
  O     13.92722643     10.14961589    -16.03105279
  H     19.91249497      6.93677769    -13.97978747
  H     18.28930379      9.40392910    -11.44934495
  O     17.10556481      8.15927179    -10.86088973
  H     19.10395345      5.83133166    -13.27861198
  H     14.94398760     11.42813979    -10.41146821
  O     13.74775553      7.26047724    -15.85134000
  H     13.32236736      6.80184319    -14.24271627
  H     13.66732665     12.29650444    -10.34140720
  O     18.54742597     11.97240822     -9.83953715
  H     12.33379067      6.34175040    -13.14065105
  H     18.04241215      8.65133195    -17.55378907
  O     18.87567558     10.09003364    -11.79983240
  H     19.49222722      4.89586698    -17.01597739
  H     18.91337610      7.37700118    -17.36007930
  O     14.37446648     12.03035608    -10.92320304
  H     19.24600550      5.69370596    -15.71413499
  H     15.63593008     11.38512981    -13.65508857
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  H     17.11581692      5.74781529    -16.27558087
  H     14.42093881     11.53467115    -12.71429457
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  H     17.98573931     11.89209455    -15.22742169
  O     18.20117702     11.76743931    -16.16225819
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  H     19.06987009     11.34913387    -16.19578638
          69
 Energy    -249.79112244597377     
  O     17.35486135      6.48298483    -13.65469116
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  H     18.79737978      9.71892964    -11.67254143
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  H     14.62940575      9.21283890    -13.44372886
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  H     15.48155383      9.25355304    -12.14628060
  O     13.77016179      6.69614116    -11.46025495
  H     18.12684797     12.84009370    -14.75971174
  H     14.47644087     11.17483623    -16.21268020
  O     13.96327181     12.04175827    -13.25423469
  H     14.63951379      4.31750760    -13.31053323
  H     13.56138619     11.53504917    -15.03012614
  O     13.72496460      8.80391689    -17.76938196
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  H     17.97551296      7.41494683    -12.28783081
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  H     14.14338328     10.91577315     -9.85107556
  H     18.96067448      7.33915982    -11.10282512
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  H     14.73625345     11.11684825     -8.43511164
  H     12.10151556      8.64068815    -12.89766542
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  H     12.99029937      7.25689172    -11.53912336
  H     10.75759688      8.41215948    -12.16650081
  O     17.46411710      9.83548893    -14.78349604
  H     14.44584877      7.23676353    -11.02703550
  H     16.41347952     13.80255523    -13.63603590
  O     16.28235486      9.13790355    -18.64981502
  H     14.53932507     11.27202115    -13.12593103
  H     15.89779515     14.95701969    -12.74547134
  O     15.37865276      9.65022960    -13.01901971
  H     14.52042544     12.81827692    -13.11711996
  H     20.41904253     11.69914216    -14.38074015
  O     13.59292341     11.02025332    -15.84850003
  H     13.48014168      9.55927296    -17.22180759
  H     19.41946766     11.36334075    -13.24547652
  O     18.27893842      7.88316701    -11.49043102
  H     13.76887142      8.04105664    -17.17844205
  H     16.24715281     11.82275119    -10.33981886
  O     11.68670613      8.57138842    -12.01949657
  H     16.65627948      8.28893996    -10.67203196
  H     16.57050570     12.82555503    -11.47973501
  O     15.89094355     14.00841196    -12.83995477
  H     15.59393647      9.23143063     -9.98003420
  H     16.32358822     10.73948608    -17.54296664
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  H     16.91754596      7.99213155    -17.18969917
  H     16.65413820     10.80794680    -16.04509606
  O     16.96067941     12.17745010    -10.88240621
  H     17.23567905      8.39619330    -15.74241776
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  H     12.35252825     10.16337521    -11.21622210
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  H     16.81759215      9.80656536    -14.06296807
  H     13.46455271      8.02637892    -14.84355025
          69
 Energy    -249.79100951300001     
  O     -3.76298613      1.44504692      4.57996623
  H     -4.49548286      2.05557277      4.74046495
  H     -3.64277602      2.21369545      0.59537449
  O      0.45850218      4.88878292      0.96401587
  H     -4.01586963      0.59114560      4.95283734
  H     -6.82648646      2.79994192      0.53750571
  O     -0.70256138      0.11663797      1.63249713
  H      0.61515021      4.10026616      0.41435982
  H     -6.15648945      3.70587971     -0.50181144
  O     -5.43688187      0.50532069     -1.62739570
  H      0.94626266      5.60322373      0.56293737
  H      0.20937659      2.03730906     -0.75357170
  O     -3.23852249     -1.05148357     -1.47155364
  H     -0.90954837      0.43583577      0.74154645
  H      1.39691563      1.99017287      0.22635981
  O     -4.25792662      1.03494024      1.81765225
  H      0.24963340      0.23091869      1.74136274
  H     -6.35626416      3.70538217      5.31417443
  O     -7.68076912     -1.10884728      2.49289765
  H     -6.02350263      0.55105522     -0.86045299
  H     -5.70343081      3.58408891      3.92030135
  O     -1.39488173      2.20735160      3.42239005
  H     -5.34007585      1.41574725     -1.93189620
  H     -1.93588944      3.70374807      2.51422625
  O     -4.97631471      3.28538295     -2.01347400
  H     -4.04704735     -0.51272162     -1.55112635
  H     -1.31120154      4.78595327      1.61229922
  O     -6.80782929      0.92802153      0.78627135
  H     -3.28011231     -1.71099063     -2.15887395
  H     -4.10087322      4.58468819      2.36124429
  O     -5.21836665     -2.18653046      2.93445166
  H     -4.11888250      1.23613463      2.75015800
  H     -5.51493430      4.25271639      1.78727109
  O     -3.18567291      2.82526876     -0.00123598
  H     -3.87508943      0.16275067      1.65636460
  H     -4.92480374     -1.36983312      6.35588473
  O     -6.53818960      3.70968961      0.38267101
  H     -6.81691487     -1.54845655      2.59277215
  H     -5.73022355     -0.50225785      5.35436972
  O      0.93276340      2.56632953     -0.39357674
  H     -8.33663740     -1.79905522      2.44360549
  H      1.05231701      3.89429941      2.53675319
  O     -6.02679760      3.07052249      4.68344055
  H     -1.22999457      1.47061895      2.81859863
  H      0.32878877      2.89832411      3.45807882
  O     -2.15584375      4.45474881      1.94213704
  H     -2.15183089      1.95973231      3.96980062
  H      2.84059668      0.66629263      2.01707734
  O     -5.01692386      4.41812405      2.60218297
  H     -4.64084342      3.89251729     -2.66765389
  H      1.79837573      1.76350160      2.34347087
  O     -4.87905294     -0.95711963      5.49776143
  H     -4.28497584      3.19312576     -1.33424447
  H     -6.89129588      1.33935371      4.67364306
  O      1.20841258      3.18911604      3.17639297
  H     -5.93182378      1.00349088      1.19669066
  H     -7.43369815      0.03192371      4.02173740
  O      1.97486111      0.98741340      1.78130480
  H     -7.26998903      0.24553796      1.28545693
  H     -3.09112291     -1.42017055      0.35879931
  O     -7.11544419      0.41680357      4.84774250
  H     -4.98419132     -1.87621076      3.81812700
  H     -2.15003606     -1.05859903      1.54280153
  O     -3.02057527     -1.41885995      1.32303918
  H     -4.43460068     -2.06240335      2.38464889
  H     -1.98718489      1.70521526     -0.67628175
  O     -1.36241793      1.01037432     -0.93647872
  H     -2.79278404      3.50172230      0.56508915
  H     -1.89691881      0.27770782     -1.26392848
          69
 Ord_Energy   -249.790314    
 O   -1.16151166      -1.03860402       1.74187565    
 H   -1.43472397     -0.571693420      0.942305684    
 H   -1.34429944      -1.97491622       1.60229349    
 O   -10.6770515      0.800756097      0.997176707    
 H   -11.4344769       1.27878296      0.670267761    
 H   -10.1238871       1.44439602       1.47543335    
 O   -4.95868683      -1.48368263       1.06671393    
 H   -5.46953917      -2.27810192       1.28192985    
 H   -4.60680962      -1.17109370       1.90850484    
 O   -10.5838194     -0.933879018       3.32219863    
 H   -10.2218418     -0.319928139       3.97311711    
 H   -10.7689762     -0.397792101       2.54080534    
 O   -3.90086174      -3.76869845       3.35490823    
 H   -3.17854643      -3.85750246       2.72223282    
 H   -4.71367979      -3.96740246       2.86955166    
 O   -8.41655064      -2.22736645       2.21404171    
 H   -9.21785545      -1.97520781       2.69443607    
 H   -8.50482368      -1.83324254       1.33443403    
 O   -1.85606742      -3.77523756       1.29857278    
 H   -2.45333242      -3.67715621      0.538492918    
 H   -1.25129330      -4.48185778       1.08551764    
 O   -9.09005260       2.43894315       2.46689224    
 H   -8.14830685       2.44070315       2.25299001    
 H   -9.15431976       2.08863807       3.36476350    
 O   -6.14247465      -4.61163378     -0.984546602    
 H   -6.42967987      -5.40612602      -1.42586005    
 H   -6.62509155      -3.87075830      -1.39569640    
 O   -3.51245666       1.77133560       1.71151388    
 H   -4.44891882       1.91353345       1.89425194    
 H   -3.09986258       1.47370803       2.53071642    
 O   -6.34623766       1.85888493       1.98890960    
 H   -6.37510252       1.49584079       1.09070802    
 H   -6.53998375       1.12367880       2.58814216    
 O   -9.07114887      0.946443260       4.89818716    
 H   -8.26632595      0.502717972       4.57701445    
 H   -8.94885159       1.09538090       5.83192110    
 O   -7.40018940      -2.48043799      -2.03575373    
 H   -8.01655483      -2.00918174      -1.45928323    
 H   -6.87525225      -1.80009377      -2.47462606    
 O   -6.96503782     -0.308558792       3.69666791    
 H   -7.41026545     -0.993237436       3.18017554    
 H   -6.05978203     -0.607254446       3.86518884    
 O   -8.75362301     -0.864464939     -0.182491273    
 H   -7.95681000     -0.316199809     -0.236211464    
 H   -9.47436333     -0.294980556      0.114843041    
 O   -2.13393736      0.668293297     -0.343963474    
 H   -1.51989102       1.34083331     -0.630584776    
 H   -2.69774199       1.08465362      0.332159638    
 O   -3.29320955     -0.993050694      -2.29830527    
 H   -2.88763380     -0.397091955      -1.65425229    
 H   -3.31588268      -1.86274564      -1.87943697    
 O   -5.79591131     -0.325829834      -3.03332353    
 H   -4.86865950     -0.560344756      -2.84719944    
 H   -5.80828381      0.103145063      -3.88430047    
 O   -6.31405640      0.438595384     -0.375908673    
 H   -6.13016272      0.333180398      -1.31644702    
 H   -5.78800964     -0.229820788       9.16718915E-02
 O   -2.06249690      0.443601936       3.81117535    
 H   -1.36521554      0.700969160       4.40726328    
 H   -1.65450346     -0.103969060       3.11486745    
 O   -3.70181084      -3.23050714     -0.652432561    
 H   -4.44435453      -3.81145597     -0.858769715    
 H   -4.06269932      -2.52307320      -9.28732827E-02
 O   -4.37106609      -1.11060941       3.81736994    
 H   -4.14561987      -2.05336499       3.79565883    
 H   -3.56402183     -0.603044212       3.95880270    
 O   -6.25205851      -3.85963273       1.75066781    
 H   -7.09877348      -3.44564009       1.97523713    
 H   -6.32577991      -4.24118185      0.867285311    
          69
 Energy    -249.79015785144861     
  O     13.74860810      9.38127051    -15.92847521
  H     13.51732806      9.84406287    -16.72930112
  H     11.12713556      5.53544954     -9.93964597
  O     11.51393011      9.18575620    -10.36012673
  H     12.92270230      9.00814357    -15.56803621
  H     16.93890069      4.21040503    -13.02188660
  O     15.92540738      6.43169483    -10.88615960
  H     11.34347091      8.23702974    -10.29875707
  H     16.62323980      4.36772441    -14.50951827
  O     14.72569602      2.14997580     -9.57158081
  H     12.29690560      9.35576952     -9.82227669
  H     14.34126533      8.51646044    -12.89660784
  O     13.93702449      9.51510402     -8.89436977
  H     15.39141567      6.84266267    -11.58547591
  H     14.82464218      7.31898417    -13.75990046
  O     11.35258520     10.47115671    -12.70643042
  H     15.95937048      5.48559356    -11.08170339
  H     11.31669855      9.12724266    -14.05070238
  O     15.74047778      3.79768030    -11.60460982
  H     14.94716073      1.26437021     -9.29650963
  H     11.54655143      7.61334417    -14.20855133
  O     12.51332566      2.24389082    -11.13598293
  H     13.92579198      2.08236017    -10.12572369
  H     17.21822563      7.61679842    -11.17457634
  O     14.10264116     10.33490004    -13.26157848
  H     14.06982356     10.13271511     -8.17999231
  H     18.60485048      8.28191320    -11.01500642
  O     13.28671790      4.10763056     -8.04133061
  H     14.56709651      9.75948285     -9.59565798
  H     13.95651353      7.64270841     -8.77350438
  O     10.91100487      3.79458495     -9.31378017
  H     11.36115980     10.00860559    -11.84836802
  H     14.70896968      6.56215175     -9.57452329
  O     11.49232349      6.37945497    -10.23059018
  H     10.72706029     11.18586974    -12.62672546
  H     16.41721464      9.65886123    -11.12840819
  O     17.29819478      4.55823168    -13.84769289
  H     15.54949853      3.19674032    -10.87515096
  H     15.19761208     10.38802711    -11.74284494
  O     14.46614571      7.55969134    -12.89553170
  H     14.93995214      3.83562003    -12.14882295
  H     17.67471080      6.34974979    -14.02600258
  O     11.51287176      8.44231360    -14.70315845
  H     12.72464512      2.73698342    -11.93993524
  H     17.75512896      7.74258373    -13.35113337
  O     17.77339974      8.35597149    -11.47773670
  H     11.85395252      2.75721765    -10.65337707
  H     12.89239372      6.75310191    -12.91994992
  O     13.97725156      6.69526966     -8.95499542
  H     13.17241127     10.48712090    -13.04302398
  H     11.71558931      6.28865447    -12.03950150
  O     15.63284325     10.17493880    -10.90710203
  H     14.13207579     10.17081890    -14.21215172
  H     16.21775928      7.28714191    -15.19262504
  O     17.65934912      7.30394907    -14.20222933
  H     13.90341920      3.49159509     -8.45572803
  H     14.89065778      7.90810574    -15.79222154
  O     12.04531816      6.28058980    -12.94792311
  H     13.61201092      4.99944427     -8.22353359
  H     15.04037011      5.35327165    -15.63730564
  O     15.32805146      7.08910376    -15.53261562
  H     11.71809991      3.87443529     -8.77199181
  H     14.93524473      4.05316221    -16.46737602
  O     14.95981548      4.38560634    -15.57363105
  H     10.23209489      3.43723624     -8.74771491
  H     12.88495785      4.67949834    -13.17117915
  O     13.45309259      3.89908551    -13.23658944
  H     12.36419759      6.45588184     -9.81556624
  H     13.90216088      3.95554030    -14.08936347
          69
 Energy    -249.78999846193022     
  O     10.74342459      8.26944136    -15.10596108
  H     10.92833033      8.99778983    -15.70922859
  H     17.71889135      8.42181386    -16.14839974
  O     16.39266443      6.43973578    -13.16534102
  H     11.36312151      7.56241229    -15.32645250
  H     19.02635547     10.72448893    -16.07158245
  O     16.10904606     11.39923422    -12.80512922
  H     16.78269986      6.82998680    -13.95634272
  H     18.91626238     10.84241630    -14.54209592
  O     11.30062790     10.79390576    -16.45784002
  H     16.70511390      6.97130713    -12.42392945
  H     16.47084705      8.57098877    -10.70911726
  O     13.97540725      9.71482785    -13.50544508
  H     16.86989086     10.84235845    -13.01296407
  H     17.75008363      7.80092823    -10.31502158
  O     13.20058957     13.21354536    -12.74542160
  H     15.86440409     11.90886840    -13.59011343
  H     15.87045574     13.16475995    -15.34806956
  O     13.66773084      5.95572094    -13.18126736
  H     11.37713264     11.05835276    -15.52301223
  H     14.69135159     12.17868671    -15.55449304
  O     11.63281831     11.28891994    -13.81391027
  H     10.58275543     11.30119830    -16.82882094
  H     10.43156479      8.74849825    -13.45030248
  O     16.59142552     11.42731605    -18.01414113
  H     13.22376177     10.30108639    -13.66168726
  H      9.42522918      8.95601224    -12.29272319
  O     12.81959212      8.13632567    -11.56914947
  H     14.71203640     10.25096645    -13.18772368
  H     14.16202283      8.80346111    -10.45326052
  O     18.46064457      9.53114678    -17.46416946
  H     13.85102865     13.24440571    -13.45972410
  H     14.78298479     10.18794762    -10.15589463
  O     17.24564658      8.03952343    -15.39955320
  H     13.66600484     12.92472893    -11.95129586
  H     13.02048408      6.10763855    -14.74577397
  O     19.07735636     11.35670830    -15.34323407
  H     13.32369527      6.55482984    -12.50875524
  H     12.59183777      5.44961935    -16.08163140
  O     17.29759978      8.19394517    -11.05718782
  H     14.63243499      6.04688373    -13.16256037
  H     17.99522638      9.15006246    -12.48870888
  O     15.07611296     12.80792524    -14.92874425
  H     12.04057935     12.02996475    -13.34100397
  H     17.83921973      9.05598163    -14.03062763
  O     10.32729324      9.11964138    -12.55438392
  H     11.13855450     10.72990120    -13.20251850
  H     15.36589616     11.88295340    -11.31384549
  O     14.96012775      9.24132450    -10.12772985
  H     16.88397558     12.20251815    -17.51966277
  H     15.27172950     12.67401916     -9.98701745
  O     12.69084710      6.29137590    -15.64639825
  H     15.67722989     11.27093609    -17.74273835
  H     13.13269590     10.96112042    -16.85631578
  O     18.14296250      9.63219157    -13.31257995
  H     11.89822812      8.38468408    -11.70275592
  H     14.30938137     10.02038466    -16.54654905
  O     14.77531563     12.10449731    -10.57067647
  H     13.30918542      8.62249547    -12.25287948
  H     18.04210641     14.20079457    -16.29878668
  O     14.09525130     10.92798422    -16.80920061
  H     17.76735834     10.15990334    -17.73404387
  H     18.11180458     12.73488366    -15.80723472
  O     17.51287288     13.42150442    -16.15273749
  H     18.94088067      9.29523475    -18.25326086
  H     14.35146983      8.78057402    -14.94659922
  O     14.54274652      8.38759409    -15.81395735
  H     16.30221200      8.12869225    -15.60107383
  H     13.95051972      7.63253677    -15.90772463
          69
 Energy    -249.78990928540151     
  O     12.32276771      4.14481595    -13.71753060
  H     12.15257932      4.50961940    -12.83032616
  H     19.47283849      8.36581992    -13.49978708
  O     17.36310282      6.78919134    -12.26194903
  H     11.53462272      3.67628526    -13.97835263
  H     15.19675092     12.75148357    -15.93677765
  O     16.79976060      9.66095821    -15.83133081
  H     16.80216689      7.45726017    -12.69112682
  H     14.57068629     11.70817608    -14.98042797
  O     14.85481349      3.22989718    -12.69648573
  H     18.24467378      7.17709238    -12.23278136
  H     14.96505436      8.75635832    -13.39773576
  O     13.59396585     10.13436236     -9.85738056
  H     16.27165301      9.00842285    -16.31876486
  H     16.24792970      9.09040779    -14.21929282
  O     15.66663459      6.73733571    -10.09759754
  H     16.33188077     10.50440248    -15.81339523
  H     12.80955454      4.68971810    -10.69102304
  O     13.16925723     11.15068775    -14.13094812
  H     13.98012531      3.39254001    -13.07160562
  H     12.24058246      6.05498297    -11.09402611
  O     17.82906713      5.79196664    -16.29106709
  H     14.79387800      3.47497958    -11.76521523
  H     16.88070196      9.77754109    -12.20794535
  O     16.32956418      9.38602324     -9.27496900
  H     13.60197336     10.91608665    -10.42455029
  H     18.37933668      9.73337409    -11.86015036
  O     19.01885491      8.14968135    -15.14902805
  H     14.50845257      9.98222902     -9.59214656
  H     14.72860285      3.76303790     -9.17038112
  O     16.46527843      4.93612003    -14.09040824
  H     16.30016307      6.66135322    -10.82651945
  H     14.97333998      5.07653641     -9.94321635
  O     19.63885169      8.44874277    -12.54179499
  H     15.86579595      7.57478471     -9.66201513
  H     16.12538358     12.35597650    -13.56071741
  O     15.41271740     12.03056184    -15.35118035
  H     13.19719363     11.52877456    -13.24361857
  H     16.83222976     11.82597420    -12.28339106
  O     15.92452054      8.83423550    -13.34492413
  H     13.05160984     10.19749509    -14.01905146
  H     14.63218090     12.46524069    -11.90117081
  O     12.09775124      5.10367035    -11.19407922
  H     18.18022539      5.07380564    -16.81151035
  H     13.40410723     13.23764322    -11.36524852
  O     17.55298173     10.17361415    -11.62836377
  H     17.36865030      5.38937163    -15.53465790
  H     14.84842540      5.73622588    -14.63039672
  O     14.54901942      4.20485093     -9.99689142
  H     16.80432149      9.70769143    -10.05900670
  H     13.34075806      5.41311625    -14.63438989
  O     16.23535760     12.50830260    -12.61377349
  H     16.78251185      9.74368333     -8.51488036
  H     13.10248857      8.56530012    -10.53870137
  O     13.71589229     12.36419064    -11.58884807
  H     18.36518350      8.79785151    -15.44842686
  H     13.96715517      7.30458945    -10.73127841
  O     13.98848850      6.07033542    -14.91938912
  H     18.74644266      7.31343699    -15.54422663
  H     13.39132852      7.60467277    -14.12770850
  O     13.11032588      7.68969505    -10.95369361
  H     15.98670216      4.22966338    -13.63275126
  H     13.05751127      8.13966156    -12.70058679
  O     13.20732065      8.40602440    -13.61899494
  H     16.85140242      5.50711569    -13.41180976
  H     14.86924315      7.03002900    -16.35429986
  O     15.55173626      7.46493061    -16.87987817
  H     20.58340349      8.40233867    -12.42425980
  H     16.32054856      6.88169553    -16.83905719
          69
 Energy    -249.78964292832669     
  O     19.42868630      9.68591909    -12.04791030
  H     20.24947870      9.92000271    -11.62039787
  H     12.97904587      7.35279851    -11.51154583
  O     15.71372977      6.15806823    -15.75405858
  H     18.79423550      9.48421502    -11.34008800
  H     16.20424081      9.25323995    -13.44311564
  O     13.23377850      8.64584836    -12.69926394
  H     14.91380427      6.68957283    -15.62298553
  H     16.44019790      9.01960623    -11.90750359
  O     11.76159466      4.61189755    -12.40082291
  H     16.39116481      6.74090338    -16.11654061
  H     19.28552356      8.32424185    -13.39270555
  O     16.51941069     10.07433072    -15.04928815
  H     14.20155981      8.68544114    -12.63494311
  H     18.50867150      7.00707126    -13.63406033
  O     17.83962823      7.95689531    -16.38895027
  H     12.93608133      9.55012586    -12.85577620
  H     12.21345607     12.02850620    -13.27699515
  O     14.22332784      8.21325866     -8.86654019
  H     12.00331727      5.32658783    -11.79718326
  H     13.63429098     11.60436364    -12.83508591
  O     14.14292646      2.99627633    -12.43586928
  H     12.46593688      3.95699946    -12.32194550
  H     15.07106368     11.54720741    -10.97045916
  O     17.52439026     11.67248185    -13.02032006
  H     16.96999558      9.42909270    -15.60496752
  H     15.90075345     11.93512474    -12.22097553
  O     11.67679572      5.18316007    -15.05509945
  H     15.62246266     10.18899230    -15.39821461
  H     12.67159581      6.74749201    -15.26995645
  O     14.22713337      3.87745340    -15.00276672
  H     18.42766753      7.99239374    -17.13873335
  H     13.24494128      7.83440705    -14.33150807
  O     12.98640987      6.63447477    -10.85952623
  H     18.39587950      7.83684333    -15.59795163
  H     13.47078615     10.65253663    -15.04936741
  O     15.95625568      8.71100798    -12.68061055
  H     15.00651996      7.65460974     -8.79491897
  H     13.59580707      9.29207579    -15.77441811
  O     19.14549879      7.61559601    -14.03199252
  H     13.62429402      7.73192773     -9.45148533
  H     15.17215160     11.20393354     -8.50679190
  O     12.85825422     11.33159868    -13.35883980
  H     14.21936896      2.04609670    -12.42118355
  H     14.80662447      9.83816079     -9.13418166
  O     15.00731363     11.93926136    -11.84795268
  H     14.24395038      3.27087695    -13.36567641
  H     16.47548910      6.01195408    -14.08896783
  O     13.30274678      7.47649259    -15.22907948
  H     17.23910896     11.27067090    -13.85432108
  H     16.52408184      7.09427836    -12.99662946
  O     13.89454992     10.21047211    -15.79624516
  H     18.26103434     11.13085672    -12.71958318
  H     16.78894652      9.75214850     -9.87425353
  O     15.29658331     10.66632420     -9.28487755
  H     10.83775869      4.92911469    -15.42956301
  H     17.21439565      8.25625794     -9.90046538
  O     16.83026685      6.19744053    -13.20927326
  H     11.62138198      5.01235936    -14.09765838
  H     17.04946215      6.07571456     -8.54901116
  O     17.40723118      9.12582288    -10.27456192
  H     14.83633192      4.53479160    -15.36213559
  H     16.20052539      6.03634582     -9.83807617
  O     16.60245019      6.63146425     -9.18281025
  H     13.34292956      4.23622261    -15.15116063
  H     15.95441453      5.45436472    -11.88197838
  O     15.40911090      5.13445294    -11.14604134
  H     13.81455935      6.15023966    -10.98155938
  H     14.99956832      4.31677989    -11.45375569
          69
 Energy    -249.78929678905655     
  O     -4.17393375      1.90879778      4.46372717
  H     -4.70673708      2.70786229      4.57382785
  H     -3.53433359      1.84501071      0.47968261
  O      0.63789093      4.66986990      0.84032804
  H     -4.64572049      1.17024713      4.87010791
  H     -6.79195780      2.41487226      0.32398211
  O     -0.66627304      0.10633401      2.24314635
  H      0.89086648      3.79989185      0.48276653
  H     -7.31002644      3.73980356     -0.27158709
  O     -4.53737355      0.29754014     -1.61630572
  H      1.16823476      5.31835345      0.38520665
  H      0.61866562      1.58396094     -0.29644271
  O     -2.72087948     -1.61312169     -0.96395236
  H     -0.74042182      0.27984947      1.29274713
  H      1.66217138      1.70789712      0.83260420
  O     -4.31887354      0.96829301      1.83808752
  H      0.25927936      0.25790010      2.47101230
  H     -5.65232800      5.07421479      5.01446496
  O     -7.78117625      2.94801429      3.15718377
  H     -5.35190447      0.32504818     -1.09739191
  H     -5.31092265      4.55738748      3.59342716
  O     -7.64811293     -1.48878711      1.77919387
  H     -4.06235451      1.10804816     -1.38804376
  H     -1.98966411      3.67435579      2.12428661
  O     -1.65872118      2.45803240      3.45167958
  H     -3.41209995     -0.98958236     -1.25165275
  H     -1.21016608      4.57394126      1.14014130
  O     -6.56186335      0.63575406      0.32183864
  H     -2.72593324     -2.33679507     -1.58452261
  H     -3.90038274      4.73313883      1.68529016
  O     -5.36626597     -2.10661055      3.13456139
  H     -4.32123328      1.35053856      2.72364865
  H     -5.37004124      4.33496843      1.33887762
  O     -3.07949508      2.29295649     -0.25081873
  H     -3.87981795      0.10902074      1.88911579
  H     -5.86510786     -0.59913825      6.22551884
  O     -6.82083835      3.37544747      0.46254043
  H     -7.55412610      3.15013121      2.24258407
  H     -6.50175649     -0.04492262      4.92572392
  O      1.31895347      2.15335260      0.04829132
  H     -7.15120896      3.44200684      3.69571432
  H      0.92247823      4.01031203      2.65226068
  O     -5.62517922      4.28769522      4.47711025
  H     -6.83179475     -1.77590633      2.22741925
  H      0.04608625      3.19736751      3.62193976
  O     -2.09926563      4.29050063      1.38397390
  H     -8.18781273     -2.26659710      1.66746849
  H      2.76975143      0.80417537      3.07078990
  O     -4.81896648      4.81253404      1.97058981
  H     -1.38541274      1.61906296      3.05630215
  H      1.68724336      1.90858926      2.99758652
  O     -5.65560640     -0.28185338      5.35125212
  H     -2.47438865      2.28825981      3.94042842
  H     -7.93257326      1.24553795      3.70024687
  O      0.96255216      3.44576587      3.43380955
  H     -5.79868328      0.74928979      0.91272621
  H     -7.97587356     -0.23475652      3.23236095
  O      1.95740368      1.04548652      2.63481865
  H     -7.07366647     -0.09039374      0.69682407
  H     -2.86428791     -1.63428982      0.90918295
  O     -7.89341995      0.32792043      4.00956223
  H     -5.35840854     -1.55919287      3.92939820
  H     -2.10144647     -1.06788416      2.13968161
  O     -2.93742498     -1.46448017      1.85794413
  H     -4.48750587     -2.03004097      2.74165027
  H     -1.64612857      1.23714266     -0.47885370
  O     -0.94744696      0.56507294     -0.49660255
  H     -2.72036571      3.10117290      0.13569206
  H     -1.37293205     -0.25188439     -0.78023700
          69
 Energy    -249.78889883997817     
  O     17.50920878      8.54818940    -13.01837115
  H     16.80077615      8.86139398    -12.43383222
  H     13.37304754     10.79422227    -13.23895944
  O     11.97511882      7.87083219     -9.31719631
  H     17.15280512      7.79147796    -13.50156625
  H     11.58910009      9.92808313    -12.19697163
  O     18.70722333     10.89455342    -13.68770647
  H     11.49633794      7.67083378     -8.51802945
  H     11.07025352     11.37724177    -12.35658975
  O     11.23213380      8.24027924    -12.05140307
  H     12.21707529      8.81478876     -9.27583205
  H     17.30967048      4.04589477    -11.75063138
  O     16.43232996      6.25160531    -14.10448589
  H     18.31140417     10.01865263    -13.53539032
  H     16.65247777      4.45535493    -10.42427966
  O     18.89493565      7.06437330    -11.15347652
  H     19.20688845     10.83636178    -14.49763143
  H     14.69641577      7.85284741    -10.85242433
  O     19.84643574      9.04886420     -9.42438758
  H     11.39534663      7.97617093    -11.13731658
  H     13.56574156      7.24011316     -9.97071916
  O     16.81303893      6.14597576     -9.40074022
  H     11.57924366      7.53855451    -12.61442155
  H     19.48581999      4.51743624    -13.10338909
  O     12.36117804      6.25250407    -13.76451514
  H     17.21016321      5.72169208    -13.88989906
  H     18.85644902      5.62378718    -12.22748303
  O     16.36271648     12.39044328    -13.00858134
  H     15.72168976      5.89430857    -13.55246556
  H     16.95047635     13.78454900    -10.23263213
  O     14.27306116      8.13821614    -14.78811030
  H     19.34558359      7.64836471    -10.53118892
  H     16.67732393     12.73548153    -11.33751279
  O     14.24697004     10.65330202    -13.62714172
  H     18.45700603      7.64157389    -11.79683210
  H     14.95265354      9.81375821    -12.20114188
  O     11.85936484     10.86464441    -12.20084189
  H     19.66722211      9.84940102     -9.95044556
  H     15.46068598      9.87290373    -10.71684709
  O     16.55612237      3.85921877    -11.17828654
  H     20.63213021      9.22373728     -8.91360242
  H     18.51686065     11.80701534    -10.63829019
  O     14.38106688      7.03351723    -10.44194469
  H     17.48378684      6.46542069    -10.01951888
  H     19.18267723     11.15864997    -11.86509187
  O     18.65377151      4.91921556    -12.86603894
  H     15.95081640      6.44067860     -9.73076748
  H     16.09151501     10.14245762     -8.76379471
  O     16.94791760     12.84722551    -10.40759598
  H     13.05722881      5.74983619    -13.30834794
  H     16.01299787     11.54507027     -9.46984693
  O     15.40678702      9.31919977    -11.50636830
  H     11.86426050      5.62385862    -14.28257337
  H     14.36247606      5.83003850    -11.71226044
  O     19.23648483     11.22162375    -10.90387036
  H     17.14804619     11.96032314    -13.36820260
  H     15.08780808      4.51468799    -12.04948724
  O     15.49382746     10.78592938     -9.17636533
  H     15.60490972     11.87437450    -13.31495688
  H     18.12472141      8.93152032     -8.58573583
  O     14.46270247      5.15998873    -12.40728142
  H     13.54182076      7.56476078    -14.52709051
  H     17.00792197      7.88722338     -8.46760489
  O     17.20796148      8.81677232     -8.30846224
  H     15.05159736      7.57157735    -14.78626601
  H     13.65299606     10.65207480     -9.28326957
  O     12.71997180     10.45892725     -9.44936359
  H     14.22494742      9.82907176    -14.13696018
  H     12.51970662     10.75455049    -10.34490211
          69
 Energy    -249.78874586533431     
  O      5.56836706      1.51197076      4.56489940
  H      5.70312985      2.24148451      5.16397303
  H      3.32098117      1.43859395      0.21332958
  O      2.66599172     -4.12876296      0.51440758
  H      4.63999360      1.55903582      4.26798589
  H      4.43560816     -2.94175872     -3.81799871
  O      7.06984058     -0.62239426      0.67309852
  H      3.57717591     -4.11201724      0.18641513
  H      4.90963047     -1.99154743     -4.94489586
  O      6.20607612      1.72369075      1.75025284
  H      2.47660463     -3.24306735      0.85985543
  H      3.36087971     -1.65127052      1.80638704
  O      3.20163634     -4.67835072      3.34759193
  H      6.86510280      0.26914235      0.99537630
  H      1.92555429     -1.26010618      2.26834230
  O      4.04404025     -4.49601653     -3.11053635
  H      6.62105613     -0.74843769     -0.17289149
  H      8.65400805     -2.95815350      5.05526523
  O      5.37749154     -1.22609378     -1.45027595
  H      6.10635909      1.68923734      2.70878158
  H      8.24039623     -2.61164694      3.60499299
  O      1.45182457     -4.11591824     -1.96342995
  H      5.33451450      1.94502151      1.39914515
  H      5.32951312     -2.97934579     -0.83707660
  O      5.05974034     -1.79958288      2.22574097
  H      4.16104826     -4.78465456      3.32248330
  H      6.04146861     -4.23570017     -0.24231334
  O      3.07385987      1.57858230      3.55647152
  H      2.92181360     -4.64985105      2.42571479
  H      7.80016282     -5.76398227      0.75043435
  O      8.68043687     -2.49224010      1.91904656
  H      4.53574425     -4.45771327     -2.27790745
  H      6.94065039     -4.80687557      1.61191470
  O      3.53656427      2.18233710      0.80038601
  H      3.11321739     -4.49920834     -2.85442066
  H      6.41893469     -1.67773177      4.88717026
  O      4.59013165     -2.00754395     -4.04712045
  H      4.57749749     -0.77225667     -1.14941482
  H      5.66672760     -0.29886603      4.88697660
  O      2.43739880     -1.57377057      1.51436542
  H      5.25121033     -1.40367002     -2.39060477
  H      2.82254668     -1.55545859     -3.37514248
  O      7.89954912     -2.76756288      4.50473217
  H      1.79777646     -4.17341851     -1.05713638
  H      1.74486524     -2.30883859     -2.57229965
  O      5.21739666     -3.91685650     -0.62721654
  H      0.63952314     -4.61570707     -1.97763760
  H      1.85367316     -1.26203613      4.35374762
  O      7.45974160     -4.87355224      0.79133911
  H      5.17644903     -1.52374100      3.14581803
  H      0.43428771     -0.64439905      4.27749892
  O      5.54881938     -1.25842565      4.89781036
  H      5.75428261     -1.38259302      1.70059703
  H      2.99326854     -3.22911853      4.47354964
  O      2.03046896     -1.42611824     -2.83915576
  H      3.11072280      1.77589091      2.61236794
  H      3.84280602     -2.08584284      5.10486220
  O      1.29937500     -0.61322833      3.87951627
  H      2.41864003      0.88064762      3.67644817
  H      6.60937734     -3.97835952      3.69414253
  O      2.94163361     -2.40927212      4.98599830
  H      8.44816860     -3.28942965      1.43009083
  H      5.58566336     -3.50303829      2.65035984
  O      5.99065854     -4.30082106      3.02817070
  H      8.23778542     -1.76525164      1.45637884
  H      2.53030029     -0.41579956     -1.45656044
  O      2.95666571     -0.03893625     -0.67334492
  H      3.24650064      2.97405347      0.35368287
  H      2.68906559     -0.57777882      0.08680580
          69
 Energy    -249.78793634475903     
  O     -6.63516261     -2.55403024      5.44022831
  H     -7.42014902     -2.13574975      5.84095227
  H     -6.84250302     -0.99104291     -0.29261490
  O    -10.07791933     -1.94407110      2.24760657
  H     -6.41442412     -3.30433046      5.98553368
  H     -3.43602441      1.15420256      0.93338457
  O     -7.34786480     -2.45741234      2.70078918
  H     -9.19042469     -2.30220048      2.38362206
  H     -4.94616781      1.19701923      0.59215633
  O     -6.16340470      2.04942534     -0.43912854
  H    -10.25662712     -1.37539067      3.00844003
  H     -7.49134393     -0.62779849      2.90195328
  O     -5.67311221      0.11447794      5.38691319
  H     -7.02242878     -2.61132595      3.59737373
  H     -6.88511359      0.34385532      3.94207598
  O     -4.53195948      5.60734762      2.01125378
  H     -6.58974510     -2.36678095      2.10749373
  H     -1.13839646      2.35977934      0.39010802
  O    -10.35996570      2.17366054      1.35003059
  H     -6.57064955      1.24073103     -0.78060240
  H     -2.10186636      2.88884058      1.47990752
  O     -8.69495859     -1.15400820      6.49439642
  H     -6.74084799      2.35248971      0.27815922
  H     -9.12427648      3.01465818      4.84306361
  O     -5.36259799     -1.79208110      0.86869999
  H     -6.19940426      0.53285112      6.08292204
  H     -7.65903913      3.54122636      4.78339583
  O     -4.24727840      4.06676179     -0.21427236
  H     -5.83205195     -0.83562107      5.44059487
  H    -10.72029712      2.49720403      3.01919385
  O    -10.05539291     -0.04265962      4.33479632
  H     -4.47545686      6.52944439      1.77555505
  H    -11.59662861      3.17347086      4.09850609
  O     -7.34392052     -0.39267990     -0.85489055
  H     -4.48215477      5.10332920      1.17897206
  H    -10.71741584     -0.68033676     -0.58314503
  O     -4.28447397      0.73711393      1.13089809
  H     -9.43790297      2.46953197      1.37440152
  H    -10.11050846     -0.96782866      0.80862168
  O     -7.50885112      0.28814948      3.20800913
  H    -10.34645176      1.33412385      0.87667836
  H     -7.33596573      1.77326330      8.01020247
  O     -2.05461086      2.37760290      0.65179462
  H     -8.34650195     -0.34039341      6.87948260
  H     -7.79172924      1.97627522      6.54567556
  O     -8.30438822      3.09332020      5.34441242
  H     -9.31906580     -0.86376316      5.81443063
  H     -3.08534579      4.51402319      2.72578314
  O    -10.81536393      2.64056905      3.97829207
  H     -4.93119168     -0.93376620      1.01255251
  H     -3.07918870      3.12266136      3.38108984
  O    -10.06275643     -0.37314689      0.03969586
  H     -4.77168587     -2.30237408      0.31931322
  H     -4.71649454      1.25142538      4.37278928
  O     -7.44218570      1.32134238      7.17777273
  H     -4.94573334      3.44104731     -0.45190209
  H     -4.45235414      1.44409967      2.85147385
  O     -2.50965350      3.76996803      2.94080315
  H     -3.45119564      3.53686168     -0.09198135
  H     -7.64274125      1.76994236      2.21790274
  O     -4.43937085      1.89419580      3.70694176
  H    -10.50358850      0.81062396      4.32764827
  H     -7.23545376      3.25574906      2.34411014
  O     -7.67266632      2.62464693      1.76014406
  H     -9.18078809      0.13011129      3.95398595
  H     -5.72917228      4.72140687      3.15522121
  O     -6.22221134      4.04708772      3.63900983
  H     -8.25829941     -0.41110225     -0.54346523
  H     -5.61726379      3.29555888      3.73176486
          69
 Energy    -249.78773958376564     
  O     15.36031784     13.17114810    -13.87671489
  H     15.03703768     12.91718510    -12.99762025
  H     11.84728859      8.20948748    -16.40245294
  O     12.78736180      7.47085435    -13.53887593
  H     15.40111708     14.12488091    -13.88730273
  H     17.44753393     10.53656943    -16.15269384
  O     17.38372006      6.68299175    -13.37118104
  H     12.08929820      7.55732422    -14.19814174
  H     17.62697048      9.07735940    -16.62797673
  O     18.11488659      7.28718527    -15.99582752
  H     13.47941365      8.09514444    -13.81534425
  H     14.41918715      9.91080605    -14.85620678
  O     11.40249952     10.68553932    -14.39589447
  H     17.67676745      6.34335934    -12.51562129
  H     15.55051539      9.28068571    -13.98608233
  O     16.33954446      7.55123748     -9.36840318
  H     16.48973254      6.34077734    -13.51228146
  H     13.52877685     11.95041251    -11.54173413
  O     12.99003845      8.36107140    -10.95147305
  H     18.92465615      6.85504404    -16.25679607
  H     14.19659646     13.02499337    -10.64976968
  O     17.02368663      9.41706025    -12.89751537
  H     17.97480150      7.06967359    -15.06017997
  H     16.13925295      4.85459455    -11.10437961
  O     13.20229585      8.30439360    -17.52524511
  H     12.16273426     11.05549677    -14.86569819
  H     15.04435887      4.80867955    -12.19145194
  O     13.84780951      6.13932700     -9.44079970
  H     11.20612983      9.85201405    -14.83712931
  H     11.81822210     10.86813104    -12.65711512
  O     15.31480599      6.96634091    -16.26301470
  H     16.12280821      8.42372647     -9.72079525
  H     12.27018213     10.07969338    -11.39691385
  O     11.15103708      8.13417644    -15.72628305
  H     15.49322829      7.10600966     -9.23353988
  H     14.03280240      6.13587080    -13.64552307
  O     17.27540097      9.93283753    -16.89181372
  H     13.16199099      7.60947187    -10.37198899
  H     14.96962500      5.80760724    -14.80755296
  O     14.76105109      9.08056769    -14.50262278
  H     12.83268779      7.99990288    -11.83671727
  H     18.54763995      5.45543864    -10.25189257
  O     14.36154964     12.43543144    -11.38125951
  H     16.51381402      9.53422283    -12.08394455
  H     17.36221896      6.45075695    -10.24711965
  O     15.21116643      4.63852658    -11.25493362
  H     17.23231265      8.47858185    -12.98420486
  H     15.76315390     10.32605890    -17.61789962
  O     12.17074201     10.96727517    -11.75992061
  H     13.68007839      9.11000724    -17.75469234
  H     15.05576692     10.99218909    -18.82112057
  O     14.81269479      5.60959173    -13.87486665
  H     13.88605448      7.67498467    -17.25892951
  H     15.13055910     10.74967597    -10.85802394
  O     17.82437780      5.77937410    -10.78145180
  H     14.26353740      5.54815900    -10.09362741
  H     14.53321658      9.32259563    -10.83852499
  O     14.89518479     10.60167950    -17.96646400
  H     13.40962148      5.58142375     -8.80380461
  H     17.53535953     10.80434052    -13.97287860
  O     15.35742396      9.82184035    -10.73260572
  H     16.26739181      6.98090672    -16.40729597
  H     16.91601598     12.14493005    -14.39596729
  O     17.58925834     11.50187700    -14.64238228
  H     15.12431832      7.73941326    -15.70586989
  H     14.36888663     12.14415976    -15.09290392
  O     13.82149536     11.49568918    -15.55224028
  H     10.37237271      7.81220661    -16.17241859
  H     14.18965496     11.34304757    -16.43266413
          69
 Energy    -249.78759293208807     
  O     15.13220123     10.07094146     -9.25076842
  H     15.57972879     10.88868358     -9.49936149
  H     11.39453940     10.61247050    -11.00620915
  O     12.91545744     12.02165442    -14.85053486
  H     15.62744297      9.34870789     -9.66670615
  H     12.05721792      5.41078447    -10.78931587
  O     10.86560256     10.56287866    -13.88254719
  H     12.15377658     11.52041538    -14.50643868
  H     13.03377183      6.41098640    -11.44789959
  O     14.83947532     11.84735843    -12.84505637
  H     12.56280335     12.70674494    -15.41192545
  H     10.49201249      8.84312148    -10.12548186
  O     16.52057357      9.89333515    -13.84774084
  H     10.93324687      9.63609088    -14.15432590
  H     11.50000001      8.12306091     -9.18615254
  O     16.33426694     12.29254041    -10.54630371
  H     10.56408882     10.55614495    -12.96767961
  H     13.99039391     10.62726042    -15.61306700
  O     16.47788355      7.94904580    -10.47910313
  H     14.20289362     12.06775709    -13.53684113
  H     15.33958381      9.92990434    -15.33190669
  O     12.99008847      4.06281545    -13.39361027
  H     15.42432507     11.16446153    -13.20863895
  H     15.10687140      5.21564037     -8.61384776
  O     18.04130047     10.16259620    -11.54164646
  H     17.21686846     10.05701493    -13.19657582
  H     14.25740622      5.72709569     -9.80140716
  O     13.08158739      7.96532141    -12.30269505
  H     16.22542582      8.98658708    -13.67483288
  H     10.32631000      6.47314236    -10.29970057
  O     10.49724418      5.50513070    -13.52466272
  H     16.56593567     13.20605465    -10.39839565
  H      9.54031061      5.14935372    -10.14837225
  O     10.42403662     10.53926823    -11.03983608
  H     15.80256336     12.26716736    -11.35905896
  H     14.31551996      6.20356947    -15.53533442
  O     12.98382212      5.53280600    -11.03606342
  H     16.28282432      7.71655666    -11.39920634
  H     14.18586239      5.03728649    -14.53012088
  O     10.66338746      8.01675575     -9.66233854
  H     16.09197194      7.24345500     -9.94601607
  H     13.24637970      7.47626874    -17.41531674
  O     14.55152561      9.89298678    -15.88859577
  H     13.09107295      4.50800376    -12.53655366
  H     13.80734785      8.37961659    -16.29224668
  O     14.90229472      5.99461325     -9.12518715
  H     13.14098631      3.13283145    -13.24007951
  H     10.95969844      7.07446750    -14.23249603
  O     10.23149979      5.56828794    -10.65306456
  H     17.70351105      9.38200735    -11.08447747
  H     11.97592409      7.73338569    -15.22819983
  O     14.82568675      5.61163864    -14.96773806
  H     17.62450167     10.91903193    -11.11265403
  H     13.70411090      7.41316402     -8.52447095
  O     13.33853604      7.54384313    -16.46837409
  H     13.03545474      8.81926741    -11.85806347
  H     13.78438928      8.93692762     -8.47853392
  O     11.37729296      7.90952880    -14.49139695
  H     12.47839914      7.98495356    -13.05776688
  H     14.74028149      7.65410415    -12.81860036
  O     13.16234923      8.20253323     -8.41065526
  H     11.26275090      4.92307038    -13.60553512
  H     15.54787915      6.71960417    -13.74261115
  O     15.64302675      7.40890261    -13.07180277
  H     10.28992791      5.53765949    -12.58237513
  H     13.73670207     10.32146880    -10.37273162
  O     13.13701175     10.50266556    -11.10830288
  H     10.07578155     11.27595769    -10.54269389
  H     13.65092669     10.99121551    -11.76387862
          69
 Energy    -249.78752044574856     
  O     12.48396197     11.17764055    -12.52151135
  H     13.33511544     10.94620076    -12.92729859
  H     12.46783714      7.89949634    -13.09488479
  O     16.75290583     11.99250832    -12.50307989
  H     12.13997228     10.36149138    -12.13886738
  H     15.04352697      9.49489512    -13.45554005
  O     14.34541542      8.95042568    -10.22510344
  H     16.38195532     12.88261436    -12.60313940
  H     14.89789905     10.47675374    -14.64291492
  O     17.73817724      7.78655896    -11.64139175
  H     16.11486268     11.39118340    -12.92046258
  H     12.54689510      8.53602932    -15.38465175
  O     16.62213713      7.63799756     -9.07373528
  H     15.03021874      8.40294617     -9.82700132
  H     11.84607625      8.60538551    -16.76170218
  O     19.24356406      7.26368612    -13.92674632
  H     14.65421119      9.86345026    -10.15647035
  H     18.10759046     10.30203871     -9.59004902
  O     12.18048708     11.80571986    -15.24974657
  H     17.40092706      7.54644408    -10.77019483
  H     16.75350161     10.77616538     -9.03477391
  O     17.32494122      8.62831654    -15.50213224
  H     18.06341011      8.69602259    -11.56156092
  H     19.69697825     10.47926214    -14.22211856
  O     18.72847638     10.37902571    -11.37378832
  H     16.71649833      7.12888866     -8.27364736
  H     20.09379362      9.04516937    -13.82027743
  O     15.06481580     10.00221601    -16.49865832
  H     16.96829243      8.52984080     -8.88369715
  H     13.34469126     13.13761570    -15.38474317
  O     16.25683935     12.50830181    -16.56083943
  H     18.75023771      7.32583349    -13.09228565
  H     13.60579241     14.57547701    -15.87900408
  O     12.85034627      7.62262592    -13.93602023
  H     19.71675642      6.43555602    -13.90470795
  H     14.49124321     14.03470289    -12.17235080
  O     14.87441748     10.42011134    -13.67966732
  H     12.21161881     10.93290141    -15.65781791
  H     14.77884458     14.12846280    -13.68892017
  O     12.44878620      9.07397319    -16.19051502
  H     12.07554715     11.64379660    -14.30287181
  H     12.45674853     13.73085045    -10.54963748
  O     17.49754622     10.18982449     -8.84750958
  H     18.03367991      8.06955509    -15.16084994
  H     12.86113115     12.56108091    -11.47949244
  O     20.26386358      9.97361256    -13.62379159
  H     17.59807485      9.54176936    -15.32505845
  H     17.77538931     11.60024732    -14.09252564
  O     13.99530818     13.86004832    -15.38129975
  H     19.41975792     10.29003014    -12.04583047
  H     17.59978413     11.78136053    -15.60449282
  O     15.19316155     14.18145607    -12.81733869
  H     18.09380230     11.02121400    -11.71924626
  H     12.81911154      8.70050620    -10.96394195
  O     13.20914608     13.27348288    -10.91580843
  H     14.20398060      9.56618684    -16.52674055
  H     11.33902274      8.26455810    -10.82155686
  O     18.09812946     11.27892279    -14.94210412
  H     15.75139258      9.33710853    -16.36135953
  H     14.59573356     12.21967068    -10.14178057
  O     11.96373172      8.64836697    -11.43044294
  H     15.80609838     11.66945986    -16.73659988
  H     15.87616776     11.75145305    -10.84391425
  O     15.33067826     11.60010349    -10.06127337
  H     15.57952250     13.07990908    -16.18250973
  H     16.22961061      7.69875401    -12.73634886
  O     15.61242305      7.75904794    -13.47581479
  H     13.79359106      7.49164863    -13.76820293
  H     16.15059913      7.97933285    -14.24987539
          69
 Energy    -249.78750943200913     
  O     17.53122539      9.88256720    -15.03662917
  H     17.63062615     10.82895949    -15.18448575
  H     13.69931277     11.78233188    -10.47193491
  O     14.97412369      9.00932795     -9.38920135
  H     17.35685920      9.79202036    -14.08300466
  H     18.09425467      4.74510491    -14.58301215
  O     17.54645843     12.68038106    -14.64290091
  H     15.52209693      9.76876924     -9.15739397
  H     18.00771492      5.05582501    -13.07724193
  O     12.57713276     10.26740943    -10.27556818
  H     14.11283653      9.37618042     -9.62461528
  H     15.63993574      7.89324716    -10.59047088
  O     15.09962402      8.65796647    -15.58975832
  H     17.50209076     13.55384579    -15.02383338
  H     15.34860135      7.25265597    -11.99854717
  O     19.30425672      7.83861687    -14.60558086
  H     16.74679186     12.57092748    -14.10181210
  H     17.65313200      5.85582966    -16.41206283
  O     21.07606073      9.56992408    -13.41039152
  H     11.71182074     10.20449133     -9.88016042
  H     18.95196268      5.23990451    -16.98587759
  O     18.56163092      6.58696870    -12.11721193
  H     12.51497718      9.84746317    -11.15175416
  H     15.58022761      7.00532106    -16.37018690
  O     12.51069157      9.12724601    -12.72895542
  H     15.97254521      9.06416186    -15.49362950
  H     15.51040541      5.53141480    -15.91571581
  O     13.48572684     10.84762754    -14.81128786
  H     14.46184204      9.37324658    -15.47733843
  H     17.54714546     10.18627974    -11.77411454
  O     15.33869972     11.96673169    -13.10930876
  H     19.16265157      7.09081669    -15.19909629
  H     16.56125328      9.01223019    -12.04182832
  O     14.38863843     12.44488421    -10.61153649
  H     18.69936947      8.54156678    -14.88506530
  H     19.04508997     12.25513016    -13.44166015
  O     17.66156461      4.47227971    -13.76521913
  H     20.53057338      8.91606460    -13.87762736
  H     20.17272918     11.24758304    -13.09000757
  O     16.04236796      7.45792419    -11.35794600
  H     21.96866181      9.45943063    -13.72975771
  H     19.18328001     10.07081675    -10.44166764
  O     18.58996949      5.67216661    -16.21717531
  H     18.74307916      7.06755831    -12.93614841
  H     19.05365636     11.43658054    -11.18211867
  O     15.93546189      6.12506657    -16.54766667
  H     17.68559538      6.85781050    -11.80165112
  H     14.39525268      6.12153350    -13.69996111
  O     16.91398419      9.83161415    -12.41052000
  H     12.72278849      9.71955064    -13.45940470
  H     14.58402874      7.58404158    -14.17396212
  O     19.68527194     12.01504828    -12.76318516
  H     12.99454429      8.30928171    -12.90304724
  H     20.59250026      8.91729684    -11.63328700
  O     18.65515222     10.88209494    -10.49484220
  H     12.96802544     11.51903773    -15.24845713
  H     19.65438218      7.81487273    -11.11423500
  O     14.25517971      7.04167028    -13.44313294
  H     14.11476233     11.30839536    -14.23065104
  H     17.29284942     11.26315013     -9.45602027
  O     20.13228713      8.60900268    -10.84320456
  H     15.83154332     11.17097756    -12.85635629
  H     16.76180498     11.72606619     -8.08309616
  O     16.48235005     11.41678398     -8.94129457
  H     14.95643409     12.30145536    -12.28484662
  H     14.64614278      3.63792624    -14.30172805
  O     15.01626847      4.51443545    -14.35832886
  H     15.10710645     12.20069230    -10.01388178
  H     15.94613074      4.44687256    -14.07489818
          69
 Energy    -249.78737988730256     
  O      1.80008022     -3.74417998     -3.42739917
  H      1.97349469     -3.77509563     -4.36426697
  H     -1.18067283     -6.42371386     -1.22924133
  O      0.59533564      0.56161414      1.77647201
  H      2.66510592     -3.77577030     -2.97864900
  H      1.63963291     -5.96890112      1.03539303
  O     -1.67135995     -3.47638984     -0.12231369
  H      0.18762364      1.40822360      1.93791870
  H      2.89660293     -5.80486533      0.09373840
  O      2.86687650     -5.63363774      4.20969666
  H      0.06967438      0.12592891      1.08072832
  H     -0.55392755     -3.30488401      2.88323434
  O     -3.04489542     -5.99421539      2.49157848
  H     -1.07011304     -3.96180681     -0.70453533
  H     -1.19867978     -3.86433382      1.59489020
  O      0.71367520     -6.25435706      2.59610614
  H     -2.51910783     -3.93715258     -0.15548529
  H      4.83962533     -3.83215990      2.42333758
  O     -0.72757263     -0.78250293     -0.17222421
  H      2.09560949     -5.90735203      3.68819444
  H      4.30138703     -5.13304693      3.05081838
  O      4.12460865     -0.79840020     -1.34895801
  H      2.92569055     -6.23782716      4.94651675
  H      1.07518561     -2.33600006      2.24983448
  O      1.45285293     -1.53191306     -1.70028493
  H     -2.41382246     -5.28870871      2.69390172
  H      0.55019163     -1.01402424      2.82072771
  O      1.96284537     -2.91374654      0.77688315
  H     -2.51003064     -6.78392289      2.34791378
  H      1.92489610     -2.46749123      4.28579546
  O      4.11709811     -2.10857705      2.39907372
  H      0.15183678     -5.46398307      2.61100769
  H      2.73641720     -3.73248280      4.64196419
  O     -1.81737117     -6.99918801     -0.78534160
  H      0.13924292     -6.98867899      2.34395667
  H     -1.37473204     -7.73097981      0.73854407
  O      1.94769710     -5.64933383      0.17745902
  H     -0.02454544     -0.92441692     -0.82252665
  H     -1.33295479     -8.99947662      1.62211456
  O     -0.99143110     -4.08336208      2.51502075
  H     -1.17844937     -1.63244138     -0.10021860
  H     -4.85153395     -5.14696965     -0.05300975
  O      4.92746198     -4.79473803      2.39971928
  H      4.73620857     -0.20392502     -1.77541510
  H     -3.71537232     -5.48657550      0.94243497
  O      0.64338988     -1.95051902      3.02932749
  H      3.90825851     -0.39856615     -0.48741851
  H      5.39240846     -6.31494235     -0.31028421
  O      2.74318847     -2.77032526      4.70478064
  H      2.34526291     -1.16074019     -1.68582581
  H      4.87270441     -5.35786700      0.79058217
  O     -1.19128647     -8.05685524      1.63839632
  H      1.45317012     -2.22707540     -2.36912961
  H      3.74057881     -0.43960083      1.65842233
  O     -3.90392611     -5.20850184      0.02812492
  H      1.97243565     -3.85290859      0.55764472
  H      2.47686094      0.38599195      1.30857504
  O      4.72151815     -5.66436867     -0.12235840
  H      1.74566947     -2.43561852     -0.03163882
  H      0.71198142     -5.34908908     -1.03492351
  O      3.39016958      0.22313498      1.04635321
  H      3.74329191     -2.22448848      3.28634801
  H      0.52371338     -4.67105903     -2.40502675
  O      0.03828385     -5.07379014     -1.67656642
  H      3.43131182     -2.39562052      1.77662376
  H      4.40295767     -4.24766259     -1.37342013
  O      4.13329133     -3.61987206     -2.05364689
  H     -2.60637491     -6.46019617     -0.64835202
  H      4.25794721     -2.73244319     -1.69624467
          69
 Energy    -249.78619133972217     
  O     15.11481676     11.77710081     -9.08768343
  H     15.44343009     11.88708583     -8.19931949
  H     10.01017594     12.21022449    -12.51891529
  O     10.97002763     10.36096158    -14.61478433
  H     15.46404379     12.52056544     -9.61121039
  H     14.65291055     14.09221471    -16.95223422
  O     15.71827302      9.69314366    -10.92107910
  H     11.04193772     10.57154296    -15.55436846
  H     15.21506035     14.46643063    -18.34614035
  O     17.03572649     13.04127918    -13.22449844
  H     10.79796268     11.19383860    -14.14970412
  H     13.22370405     13.32175290    -12.44984847
  O     12.49482969     11.57297727    -10.15123459
  H     14.84808968      9.30062121    -11.06238679
  H     13.02209319     14.59617438    -11.59846040
  O     12.99836487      9.14183276    -11.42441464
  H     15.58985713     10.36556976    -10.24013966
  H     11.14239298     12.96536377    -16.34852812
  O     13.64045338      9.85361831    -14.02328697
  H     17.30276633     12.14922666    -12.96133095
  H     10.69177940     13.50658286    -14.97535199
  O     14.31500758     15.95209970    -11.32723284
  H     17.17009129     13.06297326    -14.18719060
  H     15.23207435     12.61743623    -13.43174960
  O     10.44471280      8.60665631    -12.53931049
  H     12.48120209     12.36995145    -10.70094792
  H     14.10349411     11.58436128    -13.74833031
  O     13.71867442     14.42025352    -15.50194989
  H     13.31192565     11.62505769     -9.64040186
  H     16.61042421     13.14525206    -16.57778743
  O     14.20159804     11.14594494    -17.38017117
  H     12.80236338      9.98299870    -10.98384630
  H     16.78263074     11.81257844    -15.82082286
  O     10.42430053     12.71416213    -13.23462577
  H     12.14905125      8.77785774    -11.70149259
  H     12.46144406     11.18244574    -17.26748616
  O     15.20930746     13.77822067    -17.68669347
  H     12.74274617      9.99782585    -14.34907369
  H     11.13854909     11.03081184    -18.05252783
  O     12.59948798     13.77039176    -11.85670378
  H     13.54438885      9.54275907    -13.11327658
  H     18.32491157      9.84527179    -12.65454011
  O     11.07645606     13.77060210    -15.82101030
  H     14.72764017     15.96753985    -12.20930124
  H     16.87139964     10.03640908    -12.16264520
  O     14.28567004     12.51753866    -13.58693565
  H     14.25513805     16.85717866    -11.03413605
  H     15.18282404      9.91468763    -14.94818862
  O     17.13074136     12.71237629    -15.89154758
  H      9.88388454      7.87332609    -12.77920877
  H     16.65827003     10.08323751    -14.59690692
  O     11.49269284     11.24451555    -17.19322371
  H     10.56332120      9.14252972    -13.34152397
  H      9.90071141     10.15393367    -11.45406778
  O     17.50905440     10.29899130    -12.85054246
  H     12.76471955     14.36522752    -15.65452887
  H     10.62272285     11.20151387    -10.58920545
  O     16.04232726     10.13642014    -15.33806278
  H     13.92682899     13.69600888    -14.89258610
  H     14.89256672     15.39653070    -14.42147017
  O      9.81801533     11.04733722    -11.10078043
  H     14.85546279     10.70685977    -16.82628081
  H     16.18158169     14.98843060    -13.67624004
  O     15.52291197     15.68491225    -13.74583051
  H     14.57251767     12.01049803    -17.60040258
  H     16.49197160     13.62275533    -11.46488372
  O     16.05643192     13.79855431    -10.62292728
  H     11.13266040     13.21616187    -12.80810593
  H     15.48922202     14.56656807    -10.76439208
          69
 Energy    -249.78523912780219     
  O     14.12587473     12.58387890    -14.30443524
  H     15.02284523     12.80339847    -14.02763969
  H     19.33686352      6.47978214    -14.58875847
  O     14.73188130      6.32516680    -13.74447745
  H     14.21982270     11.96215871    -15.04010650
  H     16.35212567     11.34407786    -16.35906696
  O     18.28919737      8.17789833    -11.60510539
  H     14.46569884      6.26699157    -14.67398433
  H     17.20178434     12.10881380    -15.32360988
  O     19.03780597      9.58009319    -16.30468666
  H     13.99430873      6.62378726    -13.19786621
  H     15.36673193      8.00936449    -14.15906566
  O     12.56716578      8.74105740    -16.67535900
  H     18.18634939      8.09032213    -10.64933807
  H     16.43123204      8.35004900    -15.20527150
  O     14.94353597      8.48159003     -8.91549214
  H     17.87441330      7.39113050    -11.99001908
  H     12.97372729     11.92272614    -13.22454296
  O     12.98156088      7.47112825    -11.94058585
  H     18.42142397     10.33097798    -16.24747838
  H     11.70722746     12.07585454    -12.34517144
  O     16.73242235     10.27298910    -12.48147478
  H     19.73793578      9.85080936    -16.89352377
  H     16.68297200      5.38905935    -10.94511237
  O     14.40904525      6.53455591    -16.46444100
  H     11.76792081      8.67283756    -17.19091556
  H     16.86645079      6.07504366     -9.57921140
  O     13.73441110      5.98023913     -9.67855940
  H     12.29219833      8.81479616    -15.74331098
  H     12.09873881      8.36367270    -13.36278801
  O     17.26428171      7.38651276    -16.49858028
  H     14.66845696      9.07487125     -9.62750912
  H     11.97148030      9.87044012    -13.62760260
  O     18.89464936      5.67372188    -14.91399137
  H     14.43727100      7.66989359     -9.04194778
  H     19.42403644      8.25365169    -13.16391995
  O     17.25727022     11.60629945    -16.14536566
  H     13.09900016      6.88670919    -11.18110385
  H     19.56641855      8.69679121    -14.65467352
  O     15.86492848      8.74771999    -14.53063081
  H     13.43758148      8.29486054    -11.71250698
  H     17.76426091      5.61257131    -13.40432841
  O     12.36987325     11.44969754    -12.62336854
  H     16.42045951      9.80359489    -13.27223257
  H     16.29235972      5.94798727    -13.04818276
  O     16.36320741      5.38829127    -10.03242564
  H     17.34445915      9.65907658    -12.05539852
  H     16.64580879      8.09024409     -8.87584594
  O     11.89515904      9.00753118    -14.05243372
  H     13.82363344      7.28151593    -16.64277107
  H     17.94441362      7.89857306     -8.05702489
  O     19.84584810      8.03940660    -14.00559517
  H     15.30174927      6.81752596    -16.69460907
  H     15.09630198     10.07915104    -11.63967292
  O     17.17827508      5.82949931    -12.67102024
  H     13.31774205      5.30342563     -9.15205451
  H     13.59337278     10.48910055    -11.62338673
  O     17.56442948      7.76875739     -8.92159062
  H     14.65213964      5.69078165     -9.83047207
  H     16.88273890     11.92006530    -13.09640454
  O     14.23913858      9.88227269    -11.23978752
  H     17.89735671      8.10605966    -16.62608884
  H     17.38589340     13.38234782    -13.03554944
  O     16.87643921     12.77355118    -13.56366319
  H     17.74941784      6.68332841    -16.04610603
  H     13.88826120     10.09439258    -16.56241436
  O     14.62885616     10.58404721    -16.18782248
  H     19.57979561      5.04751171    -15.13124658
  H     15.03633938      9.96767474    -15.55945108
          69
 Ord_Energy   -249.785233    
 O   -9.05741787      -1.69802594      0.701007664    
 H   -8.26650620      -1.14682162      0.807971835    
 H   -9.50785828      -1.32962763      -6.70726076E-02
 O   -5.30696678      -1.56371379      -1.08290517    
 H   -5.17349291      -2.34472442     -0.528831720    
 H   -4.44605255      -1.12747264      -1.13838840    
 O   -3.74410439       1.93351507      0.469111204    
 H   -3.30755639       1.24708641      -4.70472090E-02
 H   -4.62508154       2.05542397       8.16141814E-02
 O   -6.73006344     -0.215190977      0.876733243    
 H   -6.20514965     -0.756894886      0.272577375    
 H   -6.68789339      0.676442802      0.509799659    
 O   -3.58158946       3.31454539       4.47340918    
 H   -3.14062929       3.65287757       5.24787664    
 H   -4.49974155       3.63866282       4.50882864    
 O   -2.93974543      -1.47832537       1.69102740    
 H   -3.64943051      -2.12941504       1.62803769    
 H   -3.21434927     -0.798005879       2.31872272    
 O   -6.33109808      -3.24683301E-02   3.53858805    
 H   -6.52663231     -0.176648095       2.59841347    
 H   -5.41568995      0.275338888       3.55594206    
 O   -9.94521046      -3.87494899E-02  -1.38309765    
 H   -10.0062437      0.703697026     -0.754761636    
 H   -10.6896610       4.17168811E-02  -1.97349155    
 O   -10.0621634       1.96880043      0.449497133    
 H   -9.41356850       2.67883635      0.531857729    
 H   -10.3434000       1.77310848       1.35145557    
 O   -2.73005915     -0.393107861     -0.779754162    
 H   -1.88929129     -0.559435546      -1.19713771    
 H   -2.69969511     -0.811229587      0.100765683    
 O   -7.24405527      0.335780084      -2.31537509    
 H   -8.15029621      0.116105542      -2.06451797    
 H   -6.69521666     -0.418230861      -2.06999063    
 O   -10.5927238       1.44173896       3.21941924    
 H   -10.4627132      0.477257878       3.27118707    
 H   -11.4013004       1.63886809       3.68408036    
 O   -7.91162395       3.68376446       1.10887635    
 H   -7.90015078       3.18245673       1.93777227    
 H   -7.34956360       4.45412588       1.25981390    
 O   -3.77730250      0.885959744       3.07426500    
 H   -3.60783529       1.64273822       3.64898729    
 H   -3.80777907       1.23907840       2.17227483    
 O   -4.90194273      -3.46424508      0.971045792    
 H   -5.78406191      -3.50791979       1.37968469    
 H   -4.58626366      -4.36282682      0.915408015    
 O   -3.61718750       4.39310837       1.79405451    
 H   -3.44719076       4.09500647       2.69545460    
 H   -3.55244017       3.60266376       1.24065375    
 O   -7.37883568      -3.51990366       2.04952049    
 H   -8.04638481      -3.07677102       1.50940299    
 H   -7.49925804      -3.18745971       2.94721842    
 O   -7.72006178      -2.15709424       4.53930187    
 H   -7.17823792      -1.39217138       4.27828789    
 H   -7.48878336      -2.36592078       5.44040298    
 O   -6.26949453       2.16014266     -0.507558525    
 H   -6.91490746       2.75106597      -9.98538136E-02
 H   -6.66640329       1.68255270      -1.25092363    
 O   -7.93504190       2.27800202       3.53982711    
 H   -8.86557579       2.02010942       3.53896165    
 H   -7.40945625       1.46964979       3.60086060    
 O   -6.02884960       5.64576864       1.82441771    
 H   -5.91591883       6.57131672       1.62566030    
 H   -5.15110779       5.23211527       1.73753309    
 O   -6.12472057       4.26015520       4.34867907    
 H   -6.16175127       4.85048342       3.58625698    
 H   -6.81208420       3.59692883       4.19941139    
 O   -10.0772257      -1.19059157       3.25090289    
 H   -9.84524536      -1.42066765       2.33995581    
 H   -9.38088512      -1.56379306       3.80334353    
          69
 Energy    -249.78508413039208     
  O     11.50449590     10.59973224    -15.30400190
  H     11.18354399     10.05030076    -14.57862263
  H     15.74086618      6.46658600    -16.05486638
  O     15.63022592      6.51376565    -14.24884445
  H     11.98289224     11.33965206    -14.91082641
  H     17.59501298      8.51744795    -12.80632949
  O     16.95088376     10.12498639    -12.07640153
  H     16.43332962      6.81522694    -13.80121645
  H     18.37543856      7.70106395    -13.89586325
  O     16.97065150     10.65663154    -14.85871066
  H     14.96645812      6.32981266    -13.57138183
  H     15.92660118     11.99730839    -15.64595385
  O     12.94371155      6.54784074    -17.09410371
  H     16.02814586     10.38985105    -12.19976588
  H     15.13928957     11.95746821    -16.96053760
  O     14.37880880      8.07258013     -9.27106640
  H     17.02813236      9.88230703    -11.14508001
  H     14.15389774      9.14270900    -15.57056331
  O     13.64696132      6.24962308    -12.35000631
  H     16.17081649     10.10365256    -14.87731643
  H     14.97482685      8.17016256    -14.65755173
  O     14.24931030     10.69226424    -12.64441793
  H     17.24522967     10.66694813    -13.93601602
  H      9.68178864      8.56758471    -13.20225332
  O     17.22490783      9.14798427    -17.16882766
  H     13.91791292      6.55310742    -17.11555477
  H     10.97780167      7.95156799    -13.78092214
  O     15.06053646      5.39797957    -10.09202923
  H     12.65832938      5.89559967    -17.72850054
  H     17.71297619      6.80655129    -11.42505904
  O     19.05049468      7.69499503    -15.59125412
  H     13.70044774      8.34997231     -9.90067154
  H     17.40110406      7.42914137    -10.05620707
  O     15.64440338      6.69926444    -16.99116589
  H     14.51030788      7.12840997     -9.42169180
  H     12.20256939      6.50555835    -15.32447061
  O     17.86387755      7.62960025    -13.07792512
  H     13.35924012      7.12119560    -12.04295232
  H     12.42255003      6.27218498    -13.80288247
  O     15.19471327     12.41930261    -16.11651386
  H     14.06776420      5.82133312    -11.59393673
  H     17.10568041      9.55116916     -8.58262378
  O     14.69850971      9.08719012    -14.77772660
  H     13.88422217     11.49708338    -13.02945008
  H     15.94951510      8.84704549     -9.33112878
  O     10.61240957      8.73426346    -13.32869098
  H     14.33325555     10.06861387    -13.38583680
  H     14.86777648     10.83690898    -19.28290618
  O     17.45759908      6.58426392    -10.51942110
  H     16.61062839      9.61901471    -17.74470484
  H     14.35179007     10.15994367    -17.99138572
  O     11.78274369      6.57632769    -14.45992353
  H     17.30378518      9.71090031    -16.38310984
  H     13.25315083      9.49200610    -11.75913167
  O     16.86459693      9.16860047     -9.42202925
  H     15.95499145      5.74585219    -10.26179774
  H     11.90069516      8.77778872    -11.96029176
  O     15.10989512     10.62776760    -18.38439614
  H     15.16792093      4.59165812     -9.59537804
  H     13.88283539     12.65036117    -14.98206012
  O     12.71505980      8.75126230    -11.44333485
  H     18.50628942      8.13659858    -16.25904570
  H     12.95526353     13.62503700    -14.22088740
  O     13.18546021     12.70352516    -14.30396708
  H     19.59077039      7.06940664    -16.06912116
  H     12.43089034      9.77855894    -16.54234825
  O     13.09397377      9.33877349    -17.09822243
  H     16.17349222      7.49445193    -17.11800537
  H     12.87849110      8.40089642    -17.16798525
          69
 Energy    -249.78479425408318     
  O      1.64058825     -1.59536062     -8.18230162
  H      1.69636078     -2.29333654     -8.85081674
  H     -2.97998270      2.68145604     -6.06159688
  O     -1.36500622      0.11518514     -6.50452183
  H      0.98915399     -0.95681212     -8.50628942
  H     -1.72119040     -1.95019432     -3.61249557
  O     -2.86211138      3.42750021     -7.73873004
  H     -1.98917620      0.74870126     -6.13194098
  H     -2.94016098     -2.51926891     -2.85290350
  O     -3.73829862      1.25476865     -9.09738781
  H     -1.75152065     -0.76582441     -6.43075442
  H     -2.67781796     -1.38608756     -9.77983075
  O     -0.39400073      2.85452471     -4.18496938
  H     -3.13687734      2.66533505     -8.27859148
  H     -1.44907912     -0.42292161     -9.95802734
  O      1.66858885      2.23030135     -8.47690655
  H     -3.28575544      4.19406705     -8.11645906
  H     -5.08587130     -0.39778370     -6.62910941
  O     -0.20115427      0.31487758     -8.97144902
  H     -3.26355873      0.66784127     -9.69549469
  H     -6.36056499     -0.40642306     -7.50184376
  O     -0.88818372     -2.92569031    -11.65771798
  H     -4.34583636      0.69783448     -8.59460468
  H     -3.14261674     -2.53190814     -7.79653656
  O      0.42771642     -3.33154034     -6.34811082
  H      0.13021910      2.05159406     -4.34565160
  H     -4.39969819     -1.84959582     -8.35575178
  O      1.35629277     -3.62504006     -9.98989199
  H     -0.03835276      3.26447029     -3.40082422
  H      3.94307063      0.14178759     -6.70077469
  O     -2.22202885     -2.55866889     -6.31925855
  H      1.12571822      2.82687583     -7.93815788
  H      2.62466608     -0.43936473     -7.25877319
  O     -2.90252847      2.13942076     -5.26403418
  H      2.23226802      1.74391615     -7.86663280
  H      1.66735169      0.49340708     -5.45794513
  O     -2.69350262     -2.00881102     -3.61989382
  H     -0.67024193      0.33476752     -8.12394233
  H      0.12030874      0.35176200     -5.52881258
  O     -2.19500691     -0.84104536    -10.41888400
  H      0.43446081      1.04539933     -8.96130810
  H     -4.00747907      0.70609118     -4.97332125
  O     -5.40995405     -0.47176751     -7.54390014
  H     -1.33889314     -2.13529859    -11.31628531
  H     -3.90475425     -0.74902845     -4.46462774
  O     -3.65983998     -2.41295306     -8.60929383
  H     -0.92975156     -2.87306982    -12.60923653
  H     -1.78103741     -4.11576797    -10.46143401
  O      2.99973358      0.28083206     -6.72275927
  H      0.31920673     -4.13356284     -6.87663482
  H     -2.82987972     -3.93336304     -9.35086900
  O      0.86141442      0.53087585     -4.92783745
  H      0.88591872     -2.69443661     -6.91442092
  H      0.27702729     -2.53660380     -4.59554231
  O     -4.43354032     -0.16195670     -5.01604185
  H      0.67020598     -3.37742435    -10.62266409
  H      0.40745255     -1.09789836     -4.06411479
  O     -2.17340630     -4.55264605     -9.69484111
  H      0.97360102     -4.32339047     -9.44500080
  H     -0.04732133     -6.34227613     -8.18065668
  O      0.02232073     -1.96027774     -3.86312554
  H     -1.30913687     -2.87925465     -6.33386119
  H     -0.87598985     -5.13695534     -8.68202940
  O     -0.07158156     -5.38917335     -8.19382708
  H     -2.50349165     -2.52166122     -5.39712770
  H     -1.00654585      3.64022663     -7.28679293
  O     -0.10644180      3.71101467     -6.94611396
  H     -2.12747324      2.45139727     -4.77929383
  H     -0.16619454      3.53875309     -6.00034189
          69
 Ord_Energy   -249.784363    
 O   -3.77019095      -9.92710304       6.85821772    
 H   -4.07696104      -9.02506351       6.69822550    
 H   -4.32051802      -10.4843807       6.29097080    
 O   -4.08136940      -10.5305653       9.48583317    
 H   -3.93422604      -10.3418560       8.54246998    
 H   -3.28153110      -10.9366484       9.80990791    
 O   -6.90513754      -7.35259199       4.26654720    
 H   -7.69676828      -7.00528765       4.69311810    
 H   -6.21221352      -7.31957054       4.94149971    
 O   -5.78619337      -11.1486845       5.36774540    
 H   -6.34826612      -11.9323158       5.44523001    
 H   -6.03485918      -10.7045069       4.54743433    
 O   -9.80228615      -9.24890709       6.08050489    
 H   -9.70476437      -8.31083775       5.87603855    
 H   -9.63930988      -9.77613068       5.28502321    
 O   -5.23675919      -5.79785204       8.69896412    
 H   -4.71549320      -5.08036804       9.04707336    
 H   -5.13024092      -6.54873228       9.31214809    
 O   -7.79121971      -8.76850128       9.76439476    
 H   -8.68893623      -9.03064251       10.0152569    
 H   -7.59481239      -9.10265541       8.87353325    
 O   -9.09552288      -11.0556393       4.12466192    
 H   -8.66001606      -11.7231379       4.67649031    
 H   -8.39422989      -10.6259327       3.61891127    
 O   -7.78383636      -13.0031595       5.66624975    
 H   -8.02406311      -12.9026527       6.59996271    
 H   -8.19307232      -13.8177576       5.35259867    
 O   -6.82444954      -9.77497673       3.09126472    
 H   -6.42855453      -9.69576454       2.22767878    
 H   -6.86132526      -8.87674236       3.46742105    
 O   -6.74224043      -11.4970522       9.92274570    
 H   -7.14445782      -10.6471500       10.1302338    
 H   -5.81193161      -11.2954340       9.76138973    
 O   -10.7954798      -10.9261312       7.99690962    
 H   -11.4200888      -11.5356531       7.58590364    
 H   -10.5232735      -10.2857342       7.32254457    
 O   -11.0901670      -13.0727129       4.17188263    
 H   -11.5964823      -12.9050026       4.97660875    
 H   -10.5434008      -12.2909451       4.01979256    
 O   -12.3324699      -12.9202213       6.76184464    
 H   -11.7232742      -13.6177320       7.06619215    
 H   -13.2173223      -13.2290916       6.93808270    
 O   -7.22121334      -9.47276211       7.16032743    
 H   -8.09222412      -9.40043163       6.74990940    
 H   -6.71646929      -10.1170912       6.64927197    
 O   -8.60587406      -12.6977749       8.27058315    
 H   -7.92589951      -12.3667774       8.87400913    
 H   -9.31512547      -12.0422001       8.24184418    
 O   -9.42850590      -15.1260490       4.83905411    
 H   -9.42990971      -15.8432579       4.21156788    
 H   -10.0590544      -14.4593849       4.51095343    
 O   -5.26072264      -7.54774666       6.50297546    
 H   -5.97624540      -8.12632370       6.80858898    
 H   -5.15579844      -6.86479759       7.17605066    
 O   -9.16872311      -6.53547668       5.82259893    
 H   -9.72316265      -5.77392769       5.67383432    
 H   -8.76524067      -6.41873074       6.70158529    
 O   -8.02019310      -6.29497766       8.28066730    
 H   -8.09048748      -7.05132198       8.87477303    
 H   -7.12144041      -5.96332455       8.39799881    
 O   -5.16200209      -7.99721003       10.2629738    
 H   -6.10234737      -8.22594452       10.2598686    
 H   -4.69695902      -8.81787491       10.0611038    
 O   -10.2968817      -9.65463066       10.3763247    
 H   -10.5872583      -10.1224566       9.57684135    
 H   -10.7349834      -10.0798702       11.1092300    
 O   -10.4271154      -14.7097816       7.49554682    
 H   -9.74202538      -14.1646481       7.90718412    
 H   -10.0534143      -15.0297480       6.66500187    
          69
 Ord_Energy   -249.784348    
 O    1.68292546      -1.66038072      0.648254871    
 H    1.67268002     -0.918891788       2.91929003E-02
 H   0.793242872      -2.03523397      0.636108100    
 O   -4.55880880       3.30669713      0.301072508    
 H   -3.99229956       2.66080213      0.744275868    
 H   -4.35567379       4.16503954      0.693777025    
 O    2.17481303      -1.25083923       3.28175187    
 H    2.89566875      -1.79772866       3.58128309    
 H    2.08303905      -1.40409148       2.32402658    
 O   -2.53348184       1.66184783       1.36208630    
 H   -1.95387924       2.43426895       1.26405013    
 H   -2.22160482       1.01093733      0.719490051    
 O  -0.684778571      -1.57770729       3.53816414    
 H   0.279138535      -1.57601249       3.58031487    
 H  -0.905005872      -1.90795684       2.65800309    
 O   0.421445042       5.69485426       2.56341314    
 H   0.751593828       5.15211058       3.29883194    
 H    1.11895597       5.74086094       1.90142548    
 O  -0.837575197       3.75831628      0.968650937    
 H  -0.548735678       4.42174530       1.60963595    
 H   -1.18288279       4.23285103      0.202266634    
 O   0.666591108       4.90122128      -1.86313176    
 H  -0.217850596       5.22555351      -1.64764655    
 H    1.23323309       5.12341595      -1.11573529    
 O   -1.39628470      -3.15130800E-02 -0.544664860    
 H  -0.454960614      0.189793959     -0.567954421    
 H   -1.77411461      0.371224016      -1.34057355    
 O   -1.09110487      -2.37810135      0.809634626    
 H   -1.59662938      -3.09487486      0.434883744    
 H   -1.31476510      -1.58159959      0.298354685    
 O   -1.74650788       3.40334916       5.17093468    
 H   -2.16992927       3.25953412       6.01394129    
 H   -1.68614316       2.53362918       4.74104691    
 O   0.629480720       2.43476152      -3.01614952    
 H   0.663896024       3.32110214      -2.61596823    
 H    1.03861392       2.50883937      -3.87490511    
 O    1.65030062       2.62502289       1.04488468    
 H    1.66803622       2.19699121       1.91170704    
 H   0.747787058       2.96339083      0.928558648    
 O    1.35291171       1.41536129       3.49974298    
 H   0.395231366       1.30187035       3.58177686    
 H    1.73766291      0.530275524       3.50785708    
 O    1.29178405      0.690254271     -0.879636943    
 H    1.52734387       1.34188914     -0.203146175    
 H    1.14562523       1.19114578      -1.69149840    
 O   -3.70645142       5.91214418       1.15385878    
 H   -4.29947853       6.64493322       1.29854608    
 H   -3.20488453       5.79721594       1.98040056    
 O   -2.22852564       5.62092113       3.40031719    
 H   -2.16858792       4.87786245       4.01211166    
 H   -1.31652427       5.86632156       3.19056916    
 O   -2.05314755       1.43426466      -2.73503041    
 H   -2.66740227       2.17232251      -2.64119840    
 H   -1.18551624       1.81803083      -2.91401076    
 O   -3.82877302       3.60497689      -2.28404689    
 H   -4.58560181       3.76588225      -2.84126449    
 H   -4.16922235       3.43677640      -1.38620150    
 O   -1.99463451       5.33354330      -1.03129864    
 H   -2.57584214       4.79187679      -1.58236587    
 H   -2.54933429       5.68677378     -0.322651088    
 O    2.35015750       5.22332954      0.476321816    
 H    3.28419399       5.41820717      0.463985145    
 H    2.26443291       4.27741385      0.685768545    
 O    1.01034379       3.98651505       4.61291218    
 H    1.30797207       3.11298609       4.32750702    
 H   0.119678631       3.85205030       4.96101952    
 O   -1.43487370       1.04298162       3.80754113    
 H   -1.90663910       1.22569978       2.98221993    
 H   -1.27324772       8.85827094E-02   3.83368516    
          69
 Ord_Energy   -249.783142    
 O   -4.01681042     -0.860060036       2.23395753    
 H   -4.42920828      -1.65915835       2.58955550    
 H   -3.50938344      -1.11374032       1.45250130    
 O   -8.02699471      -1.21762466       2.28837919    
 H   -7.86499929     -0.519295216       1.64355266    
 H   -7.98810863     -0.809795380       3.16238093    
 O   -2.41788554      -1.54420078      -4.19628993E-03
 H   -1.59424436      -1.21125281      0.385120749    
 H   -2.67372346     -0.958670497     -0.726262033    
 O   -5.95437860      -2.08313465       5.72040749    
 H   -5.31173134      -1.51363862       6.16029692    
 H   -6.68866014      -1.50815237       5.47204399    
 O   -2.85653281      -4.21164608       6.64902925E-02
 H   -2.65661001      -3.26107144      -1.50838802E-02
 H   -2.37351203      -4.65357256     -0.627250969    
 O   -2.44892025     -0.356672019       4.45292854    
 H   -3.01899958     -0.482824832       3.67984390    
 H   -1.70080459     -0.954271734       4.33149576    
 O   -7.43582773      0.771834373      0.339200526    
 H   -8.11491966       1.18120492     -0.189026862    
 H   -6.90043688      0.223184466     -0.266202658    
 O   -5.89033222     -0.714293838      -1.24516225    
 H   -5.04021692     -0.391515374      -1.56145585    
 H   -5.77052784      -1.64566791      -1.00570798    
 O   -4.02180529     -0.199322313       6.68169212    
 H   -3.41917586     -0.278811306       5.92296696    
 H   -3.47843361     -0.176824600       7.46504545    
 O   -2.34563541      -3.94496417       2.85075450    
 H   -2.44732451      -4.17461920       1.91954291    
 H   -3.24250412      -3.76206970       3.16502643    
 O  -0.741511047       2.19228625       1.66427016    
 H   -1.16674519       2.31032252       2.53200817    
 H   -4.92889807E-02   2.84592223       1.60689116    
 O  -0.491902262      -2.17681599       3.69811177    
 H   0.224029750      -2.65591002       4.10577869    
 H   -1.13477933      -2.84303212       3.39037275    
 O   -4.70942688       3.27371502       3.81658649    
 H   -4.97316313       4.15718460       3.57231569    
 H   -4.91891861       2.69713974       3.06016874    
 O   -5.99429560       1.58975434       5.69457293    
 H   -5.55633020       2.22552156       5.11643028    
 H   -5.29624796       1.06409979       6.10552263    
 O   -4.95960283      -3.18727803       3.42587876    
 H   -5.71397543      -3.50049758       2.91233087    
 H   -5.29853344      -2.87407565       4.27764416    
 O   -7.20460463      -3.74097133       1.85411179    
 H   -7.54502344      -2.83812523       1.99671328    
 H   -7.94415045      -4.33420658       1.95024657    
 O  -0.248783946     -0.594843268       1.30867219    
 H  -0.357810974      0.346627653       1.49281943    
 H  -0.236447856      -1.05805385       2.15504408    
 O   -3.29598522      0.291797161      -1.91959381    
 H   -3.20092034       1.02822375      -1.28795409    
 H   -2.97812414      0.604864419      -2.76157761    
 O   -7.91133642     -0.146552891       4.90054512    
 H   -7.25926924      0.533179998       5.14614677    
 H   -8.69319534       2.88518704E-02   5.41837168    
 O   -5.56161499      -3.33079386     -0.425187588    
 H   -4.71087313      -3.74229407     -0.238173544    
 H   -6.13854456      -3.54632831      0.318029344    
 O   -5.18470430       1.56830895       1.76461041    
 H   -6.00859499       1.41022182       1.28765857    
 H   -4.80853462      0.697134376       1.96504295    
 O   -3.05802989       2.17196560      -6.52940013E-03
 H   -2.25887704       2.20347953      0.533140957    
 H   -3.79970884       2.05122995      0.600559473    
 O   -2.02081323       2.37665319       4.03243208    
 H   -2.90692210       2.75830650       4.03689909    
 H   -2.12492013       1.44534492       4.27146244    
          69
 Energy    -249.78274086187082     
  O     16.78951777      7.79546632    -13.91604755
  H     16.79368669      8.17162778    -14.81521961
  H     17.62650869      9.52691888    -16.39958949
  O     21.46229994     11.85275164    -11.42700465
  H     16.53500178      6.88078968    -14.00359339
  H     18.43937711     12.59972803     -9.77853250
  O     20.91220495     13.78367941    -13.37855775
  H     21.35097754     12.62236528    -12.00081010
  H     16.98046588     12.33320157    -10.19584363
  O     15.81915579     10.80488889    -10.31816980
  H     21.61131302     11.10269381    -12.01374767
  H     18.56238008     15.69734358    -16.91621699
  O     19.94070848     11.59965824     -9.21467641
  H     21.00807023     14.63203857    -13.82905192
  H     17.70645209     15.56845555    -15.63840055
  O     19.11062023      8.85831682    -12.60959457
  H     21.00275263     13.09850742    -14.05698171
  H     20.41966197     11.46569913    -15.70297471
  O     15.12624626     11.07871942    -17.34513483
  H     15.63260374     10.59989155    -11.24877146
  H     21.50759025     11.03450517    -14.69718441
  O     17.14064414     12.95807219    -17.36541952
  H     14.98451902     10.76649886     -9.85755240
  H     17.44248928      9.82297087    -10.07365286
  O     20.93669429     16.06169916    -14.98896400
  H     20.47559102     11.76397575     -8.44305234
  H     18.90766898     10.11250122     -9.69372404
  O     18.77237092     11.00759499    -16.21310630
  H     20.52457806     11.70071277     -9.98805701
  H     19.93254157     14.35148454    -17.97646415
  O     15.54998499     10.20358751    -12.99677074
  H     18.86858002      8.97029397    -11.67572525
  H     19.36359719     14.93380570    -19.29179086
  O     16.82605786      8.98739493    -16.34745970
  H     18.38074064      8.40663956    -13.05008851
  H     17.12594002     14.12297114    -14.14678453
  O     17.66853078     13.00939415    -10.19122134
  H     15.82045366     11.74929614    -17.46445289
  H     15.81273837     13.63991944    -14.81904150
  O     18.43105703     16.06892091    -16.03561615
  H     14.55384081     11.14194334    -18.10592279
  H     21.36091673     14.74866810    -16.33300221
  O     21.24744612     11.75158153    -15.28689222
  H     16.96695440     13.41009433    -16.52471518
  H     21.45596223     13.21621326    -16.49042424
  O     18.32915677      9.44233188    -10.08093265
  H     17.76017399     13.50657146    -17.86206617
  H     22.24265802      8.98535012    -13.30816401
  O     19.11069308     14.60705599    -18.43277280
  H     21.25429641     16.95506258    -14.89137121
  H     20.75028799      9.32682532    -13.10182764
  O     16.58916293     14.20350819    -14.94847229
  H     20.01426669     16.12265098    -15.29662921
  H     18.13975257     12.08854060    -13.22081472
  O     21.33728879     14.03672441    -16.98490943
  H     18.45986195     11.08632029    -15.29604302
  H     18.49280034     10.54816009    -13.12212877
  O     21.61713740      9.70568107    -13.32689445
  H     18.28797580     11.67392936    -16.71652236
  H     14.64349237     11.81499488    -15.62542811
  O     18.00162791     11.21746641    -13.61415416
  H     16.35931198     10.67079168    -13.26399561
  H     14.73857048     11.55323433    -14.11684553
  O     14.60878267     12.25395791    -14.76673644
  H     15.72130060      9.28422812    -13.22901889
  H     18.02406268     13.65553682    -11.79683108
  O     18.20919439     13.81026329    -12.73548624
  H     16.12639815      9.55638804    -16.68916352
  H     19.16365165     13.89149216    -12.86071602
          69
 Energy    -249.78263417524965     
  O     19.09723338      8.82174105    -12.06889835
  H     18.58773364      8.47728751    -11.32174025
  H     13.28738068      5.92330181    -11.05609691
  O     15.23671881      7.18606317    -17.27117713
  H     19.06064740      8.14314581    -12.75283179
  H     16.04372231      9.03080868    -13.15875361
  O     13.05374647      8.73184239    -12.27228856
  H     15.43745330      7.08822049    -18.19808665
  H     16.27098542      8.32432688    -11.77090843
  O     13.31930768      9.05017904    -16.22592463
  H     16.03682400      7.54526063    -16.84712102
  H     19.40568006      5.99657284    -14.15510526
  O     16.55625165     10.30116822    -14.36214852
  H     14.00567835      8.57458378    -12.35600447
  H     17.91937037      6.28600033    -13.84714802
  O     17.39341172      8.23185484    -16.01919471
  H     12.93957369      9.69216998    -12.28471772
  H     14.01590944     11.56674076    -11.96133759
  O     14.04644803      7.46153228     -8.62020652
  H     13.95447223      8.46366504    -16.65350261
  H     13.47637272     11.53389572    -13.41047826
  O     12.96752604      3.72856502    -13.35667913
  H     12.74992288      8.48100871    -15.69288283
  H     16.46018419     11.51389555    -11.36147230
  O     18.14107990     11.35227271    -12.32013844
  H     15.77240249     10.80175819    -14.62434849
  H     15.54500923     10.95818923    -10.24515369
  O     10.74548062      5.43615526    -12.67987178
  H     17.08775280     10.83859527    -13.76189367
  H     11.46364763      6.67346363    -13.98077649
  O     14.08322494      5.53859524    -15.30449566
  H     17.97446696      7.72520306    -15.44167901
  H     12.40724082      7.85691741    -13.68661640
  O     12.52911570      6.48079661    -10.83437947
  H     17.14447461      9.01973464    -15.51520748
  H     13.92108135     12.11576793    -15.82899774
  O     15.73666085      8.32454108    -12.57451984
  H     13.35861736      7.19057420     -9.23978520
  H     13.81458286     10.59144240    -15.59213347
  O     18.78072963      6.70421178    -14.01615257
  H     14.72143817      6.77374813     -8.67612118
  H     15.54260088     10.15877720     -7.91480235
  O     13.21358071     11.43101206    -12.48868880
  H     13.34116065      4.15900472    -14.13680092
  H     14.90639807      8.99672374     -8.70877600
  O     15.56685550     11.55463800    -11.00276320
  H     12.11715576      4.15791164    -13.20230329
  H     16.02443805      6.75735823    -13.24703359
  O     12.08553632      7.28024004    -14.39719003
  H     18.84102915     11.99576762    -12.24987881
  H     15.54039891      5.65388823    -14.22130437
  O     14.15227698     11.42390734    -15.21492380
  H     18.55555382     10.47534879    -12.23109922
  H     16.93099154      7.13444373     -9.87932724
  O     15.53902672      9.73404207     -8.76910809
  H     11.26514676      5.78911695    -11.93791203
  H     16.75398927      8.65556616     -9.63516978
  O     16.21170705      5.85500946    -13.55526795
  H      9.86052585      5.29647225    -12.35282651
  H     15.59567468      5.16984705    -10.02936059
  O     17.20774689      8.00550577    -10.18907069
  H     13.39537338      6.14016834    -14.98276843
  H     16.43854807      4.82068351     -8.78193523
  O     16.08475592      5.55259995     -9.28097432
  H     14.46612372      5.96846036    -16.07989760
  H     14.09333570      4.21829595    -12.01956249
  O     14.71407175      4.74972727    -11.50038722
  H     12.65981948      7.33307996    -11.28223262
  H     15.33729006      5.10815986    -12.14810179
          69
 Energy    -249.78218323686107     
  O     16.61299190      9.65684955    -15.80659894
  H     16.27423233      9.15240450    -16.54212139
  H     18.84917242     11.28530532    -15.28078846
  O     16.76398302     14.35369460    -16.16572351
  H     17.47451564     10.01245429    -16.08137000
  H     19.16889284     10.34722606     -9.90183094
  O     21.50394123      9.82952412    -15.12541107
  H     16.30236457     14.81848706    -16.85960087
  H     18.52168549     11.73174459     -9.70429145
  O     19.08725893     13.50560188    -10.02805433
  H     17.61999542     14.07670707    -16.53615479
  H     20.56624229     16.98404475    -12.69992151
  O     14.93460629     12.27851947    -12.14933795
  H     21.60551184     10.64986393    -14.60925625
  H     19.06778212     16.65781245    -12.86701419
  O     20.90364552      9.65993431    -10.35611379
  H     22.35961690      9.62902021    -15.49576917
  H     21.40773031     11.42922610    -10.64447503
  O     16.08861333      9.86931379    -10.99781391
  H     18.41753876     13.59022050    -10.72492291
  H     20.62598059     12.76478284    -10.61630703
  O     20.64858746     14.51417496    -14.69207786
  H     19.36015954     14.40154347     -9.79864560
  H     16.98528389      9.29153000    -12.47580580
  O     20.05857923     16.13519622     -9.76118940
  H     15.21907620     11.43247229    -11.78584570
  H     17.13267378      9.18731580    -14.03287003
  O     21.47153946     12.10021096    -13.63663157
  H     14.98327390     12.19749206    -13.11497547
  H     19.25605196     12.59084925    -16.86330901
  O     15.36944347     12.13180372    -14.89886470
  H     21.32648986      8.99129825     -9.82374976
  H     19.86287002     13.90201470    -16.31568040
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  H     20.72747494      9.25722305    -11.22499843
  H     22.41532610     15.83201785    -12.47258021
  O     18.32263224     10.78881114     -9.76616773
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  H     23.06848792     16.82674642    -13.46268503
  O     19.70388190     17.08810579    -12.28006923
  H     16.85915965     10.21878838    -10.51406159
  H     17.58304967     15.22594213    -14.69203205
  O     21.45777015     12.35770761    -10.90330538
  H     19.77361914     14.80217532    -14.39340823
  H     17.77958975     14.87480837    -13.20433268
  O     17.60831737      9.12133234    -13.19598605
  H     21.28091604     15.15713773    -14.34660459
  H     21.71796667     15.42023931    -10.40384958
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  H     19.91177844     16.82449447     -9.11924878
  H     22.27706084     14.06558364    -10.87661390
  O     22.28238006     16.30943083    -13.31146304
  H     19.85779914     16.51732016    -10.63464951
  H     20.73363797      8.90564695    -13.61171027
  O     18.11460212     15.44074831    -13.91704378
  H     21.24127980     12.95563304    -14.02778487
  H     19.36144035      8.64430115    -12.94460756
  O     22.42427233     15.01846732    -10.92620844
  H     21.58442201     12.22407556    -12.68407643
  H     18.39563057     10.80318387    -13.26746836
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  H     15.83838979     12.86205262    -15.31972465
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  H     15.73882448     11.31980404    -15.26121134
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  O     17.31731176     13.58484597    -12.09420129
  H     19.89902558     10.39482723    -15.97053983
  H     17.78077568     12.92228122    -12.63024879
          69
 Energy    -249.78195340735658     
  O     -2.36849937      6.21214931     -0.78581336
  H     -2.83223919      6.97408129     -1.12318369
  H      0.49626070      4.85402336     -1.25097131
  O      0.47767484      1.54202257      4.41173176
  H     -2.58731783      6.14755618      0.16170989
  H     -2.60588900      3.02400847     -1.83171048
  O     -1.16885075      2.70258194      0.96356939
  H     -0.44282625      1.69554419      4.15710943
  H     -2.78000215      4.40510472     -1.10894543
  O      0.57862521      3.33269162     -2.12563395
  H      0.88552683      2.41723049      4.41496014
  H     -2.59540647     -0.27416764     -0.77698437
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  H     -0.37579980      2.32276336      0.56371116
  H     -4.51787251      3.19701776      2.22583995
  O      2.72073770      0.51226882      3.02108269
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  H     -5.14730204      3.85773444      3.47614511
  O     -0.08926325     -1.33487072      4.32494430
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  H     -2.87249259      2.58948554      3.50597176
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  H      0.71729819     -1.31649475      1.19569706
  H     -1.75737221      2.22308872      2.51094531
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  O     -1.80447123     -0.16465853     -1.31866872
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  H     -4.50264698      1.32136900      0.70776688
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  O     -3.92153669     -0.49388971      0.58000232
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  O     -4.70162334      2.26207563      0.77806709
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  H      2.68336260     -2.61609650      2.41261899
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  H     -0.44524708      5.99664028     -0.81415340
  H      0.97039733      4.52492359      3.28496298
          69
 Energy    -249.78187020230899     
  O      2.32677742     -1.40229668      4.36587724
  H      2.23118860     -0.44681091      4.25617777
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  O     -2.63883573     -3.68814448      7.01074998
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  H     -1.50889067      1.10685669      4.86142850
  O     -1.03996035     -0.54260138      9.45753805
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  H     -1.32723068      2.02035435      3.60390340
  O      1.99283809     -4.81502957      6.49289187
  H     -1.74930019     -3.79047181      7.38258336
  H     -2.21042891     -1.02120386      1.74719035
  O      0.58388719     -2.42801412      2.51060414
  H     -0.39749776      0.02494194      9.01182658
  H     -1.25861589     -0.67977187      0.57931972
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  H     -0.51437640     -1.23923755      9.86853847
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  O      3.78438262     -2.53477013      6.39076828
  H      1.55324792     -4.85225229      5.62875193
  H      0.05566829      2.70492970      5.71502657
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  H      1.47778853      1.46282012      2.17461592
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  H      0.18922160      1.83800651      1.41664296
  O     -2.09251013     -2.04785489      3.27418086
  H     -0.32627431     -2.26896902      2.79939607
  H      0.16056978     -2.24460695      6.78407517
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  H      0.94118528     -1.57462470      5.59823335
  O     -1.67779280      2.14882928      1.80436714
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  H     -2.51350430     -4.25610572      5.38994220
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  H      4.70767604     -2.62814841      6.16735943
  H      0.96111667      1.47843949      7.42005571
  O      0.77974828      2.97416340      6.30476527
  H      3.15727685     -1.73598760      8.02659199
  H      0.72366997     -0.05399396      7.26669611
  O      1.07003631      1.45947032      1.30028191
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  H     -2.50413722     -0.87436334      8.55583973
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  H      1.18488837     -2.87862213     11.10503232
  H     -4.04855946     -0.83553056      8.54382571
  O     -2.37707673     -4.54804331      4.47021256
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  H      0.68385189     -4.20039717      7.47427056
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  H     -2.27538907     -2.94193245      3.59207447
  H      0.25339887     -3.41227408      8.75988926
  O     -3.29016324     -1.05460887      8.00939927
  H     -2.22322388     -1.45700640      4.02808330
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  O     -0.03399309     -3.69214623      7.88352466
  H      1.01677178     -1.01666818     -0.73412943
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  H      0.85341862     -0.08815645      0.49424730
  H     -2.71972768     -0.53390360      6.30664895
  O     -2.16539819     -0.41141126      5.52756841
  H     -2.24984340      2.74109876      1.32412624
  H     -1.30935522     -0.81324320      5.75353849
          69
 Energy    -249.78082142535220     
  O     18.23101244      9.08189039    -14.94137937
  H     18.11623850      8.19768328    -15.30810162
  H     13.35290918      4.74625458    -15.00433903
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  H     13.83074305      8.64262562    -10.64352827
  O     13.28513998      5.66306404     -8.90058409
  H     13.77902200      6.01474194    -16.88228488
  H     13.30979637      7.40135310    -11.45277484
  O     11.70135798      7.69078860    -15.16046657
  H     12.60617065      5.16001569    -17.41880450
  H     15.81213811      8.76120353    -13.45134160
  O     16.97938375     11.26077158    -15.93437106
  H     14.06100191      5.10562244     -9.02953919
  H     15.06775160      8.83663980    -14.83705854
  O     15.22900029      6.88739261    -17.23970711
  H     13.47182056      6.47724995     -9.39224883
  H     18.29279283      5.69676935    -15.92191305
  O     13.90359151     10.41320243    -10.68671896
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  H     17.11778773      6.15073460    -15.02506470
  O     15.50206244      4.06733756     -9.88735341
  H     11.77081987      7.39323510    -14.24430770
  H     13.84393552      9.86949371    -13.47936360
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  H     12.79533790     10.71635230    -14.21566095
  O     11.30171939      4.78917762    -10.53840578
  H     17.49025108     10.49880354    -15.60362862
  H     14.87808869     11.76665728    -13.53509819
  O     13.51973693      3.29187591    -11.59408868
  H     15.10251689      7.84025896    -17.12679121
  H     16.19379198     11.91787277    -14.33635593
  O     13.64078111      4.53320622    -14.10842562
  H     16.10170475      6.68967325    -16.88254900
  H     11.71652160      5.97318885    -11.96408207
  O     13.87272372      7.67923075    -10.71896799
  H     13.54294577     10.65190097    -11.55144850
  H     12.70195291      5.81387809    -13.13621755
  O     15.00154661      8.52451038    -13.92456962
  H     14.81235624     10.73632271    -10.68305347
  H     11.41809873     10.55939911    -16.41606659
  O     17.65822439      6.39789904    -15.79483486
  H     15.88841900      3.29647273     -9.48041050
  H     11.95495580      9.31093812    -15.67237487
  O     13.34494733     10.69963025    -13.42496168
  H     14.83783119      3.74315418    -10.52193724
  H     17.08205652     11.94110119    -10.59019907
  O     15.77163289     12.13463756    -13.49726771
  H     13.96586831      9.91159660    -16.43291534
  H     16.37921845     11.66578587    -11.94367009
  O     12.18913867      6.47028951    -12.64393903
  H     15.50125422     10.25831553    -16.45242823
  H     15.48084197      6.81268420    -13.87086353
  O     12.17558014     10.22119895    -15.94734572
  H     11.93478960      5.09658407     -9.86450415
  H     16.17840529      5.99844927    -12.76640910
  O     16.63208657     11.26615741    -11.09084164
  H     10.49231938      4.58015718    -10.08080932
  H     17.13694598      8.06986530    -11.76841216
  O     15.93925507      5.97343376    -13.70195762
  H     12.69314647      3.65533679    -11.25312738
  H     17.14676373      9.63462641    -11.78516275
  O     17.30894107      8.84491016    -12.31813684
  H     13.55654099      3.55625644    -12.52282352
  H     16.23281301      5.66934035    -10.56198726
  O     16.33882711      6.51333209    -11.01737466
  H     14.51764807      4.93125482    -14.00087000
  H     15.49303929      6.97827868    -10.90497402
          69
 Energy    -249.78064908165675     
  O     14.73428128      9.82487738    -10.75899586
  H     14.61208972     10.39506776    -11.53082827
  H     17.95160512      4.12270145     -9.93315998
  O     13.08952107     10.43310874    -16.51114736
  H     15.60950549      9.98555212    -10.38565602
  H     12.34893152      7.80472732    -10.60414825
  O     16.93492689     10.49151191    -14.07896330
  H     13.19688841     11.31037750    -16.12303083
  H     13.37480049      8.83512748    -10.07472956
  O     13.07988252      4.86023405    -12.58093434
  H     12.83818182      9.85059643    -15.78310616
  H     18.65589952      7.63070131    -13.61510894
  O     17.02664178      7.30226781     -8.75481343
  H     17.39821910      9.98077198    -13.40259566
  H     18.18931821      7.45248594    -15.07212820
  O     16.31211314     12.19814340    -16.24180209
  H     16.03766931     10.64233552    -13.75077362
  H     14.77047078     12.75493860    -15.61798841
  O     15.50945932      7.42168969    -12.01947025
  H     13.63352752      4.81321070    -11.78905635
  H     13.67194656     13.80990692    -15.33662719
  O     14.30518915     10.97782269    -13.21557953
  H     13.66670637      4.62417136    -13.30866237
  H     12.29254851      8.35954311    -13.52669538
  O     17.97663425      8.72712230    -12.18643834
  H     16.12654161      7.07516889     -8.48959883
  H     13.50961302      8.22361141    -14.46409519
  O     17.47865632      4.76504199    -13.26097749
  H     17.35393207      6.56032412     -9.27669269
  H     15.22319036      9.98923538    -18.83559114
  O     15.13092487      4.39364310    -14.52528208
  H     16.12745724     11.53370817    -16.91742635
  H     14.54251858     10.10860556    -17.45192534
  O     17.63459364      4.92552257    -10.34166592
  H     16.72802037     11.72045604    -15.51102222
  H     10.70123504      6.89577852    -12.24378138
  O     12.77656094      8.12443457     -9.80147527
  H     15.12900627      8.22460936    -11.64020616
  H     12.12446151      6.32018066    -12.40777866
  O     18.66189313      7.01115456    -14.35619399
  H     15.24947973      7.35591936    -12.94761071
  H     13.86386736      6.44941644     -7.34644078
  O     13.88596325     12.88734629    -15.23108084
  H     13.75090627     10.24578389    -13.52604414
  H     13.70136880      7.16202805     -8.71090772
  O     12.81821834      8.84082472    -14.17569050
  H     14.10251656     11.73714383    -13.77495628
  H     14.62122767      5.53042986     -9.66321326
  O     15.40294885     10.02281434    -17.89991252
  H     17.20339903      8.14356726    -12.14866845
  H     15.12632924      5.97631769    -11.06213223
  O     11.62358728      7.14076852    -12.25299339
  H     17.99544500      9.17381530    -11.33260409
  H     15.59288900      7.54817921    -15.24055670
  O     14.29392256      6.59426957     -8.18439756
  H     17.64929248      4.83787607    -12.31741376
  H     14.94104391      6.19376273    -14.79249710
  O     14.92072669      5.19585644    -10.51777758
  H     17.95741860      5.49449419    -13.68344868
  H     17.26936591      8.93281479     -9.27946141
  O     14.87078896      7.15445928    -14.73236272
  H     15.97708684      4.47044147    -14.04597993
  H     17.81682780     10.35670856     -9.01207399
  O     17.35506141      9.82804633     -9.65678091
  H     15.23548981      3.68458879    -15.15346125
  H     16.45657689      8.92551020    -16.80141843
  O     16.87946978      8.52172232    -16.03379562
  H     16.66557338      4.85177942    -10.38604536
  H     16.94364215      9.22462227    -15.36903850
          69
 Energy    -249.78064808007673     
  O     13.73489085      9.26548088    -10.83396857
  H     13.52842719      9.81703384    -11.60138863
  H     18.84886204      5.32732335     -9.46073054
  O     13.08705022      9.77781184    -16.79050097
  H     14.37359537      9.72809366    -10.27785667
  H     12.44649736      6.44229315    -11.23949175
  O     16.02038266     11.13656289    -13.58809319
  H     12.73871075     10.57343872    -16.36931147
  H     12.82150444      7.73704051    -10.47961605
  O     14.70852247      4.29297716    -13.07680363
  H     12.97566168      9.06700659    -16.14638604
  H     18.67161553      9.19898919    -12.82783635
  O     16.46354766      7.69817215     -8.43947104
  H     16.52185208     10.78902826    -12.83928224
  H     18.60390134      9.00735305    -14.35461419
  O     15.14708673     12.66589921    -15.79643898
  H     15.09999194     10.86959503    -13.45718733
  H     13.42852506     12.47017692    -15.50650378
  O     15.67391093      7.54547306    -11.95058199
  H     15.07230387      4.38966860    -12.18567053
  H     11.95551767     12.94485473    -15.44482137
  O     13.32238387     10.40509657    -13.29959568
  H     15.46394059      4.39973051    -13.66639941
  H     12.70425932      7.24421695    -14.09305483
  O     17.33974349      9.75621593    -11.55492172
  H     15.71233983      7.09475722     -8.37888872
  H     14.01503676      7.72281890    -14.74974474
  O     18.77543355      6.08265730    -12.79756918
  H     17.16479283      7.21779659     -8.89493544
  H     15.59852564     10.50582989    -18.61124751
  O     17.08577601      4.92464931    -14.54467021
  H     15.39017653     12.06311249    -16.51029593
  H     14.68750756     10.18258720    -17.40391365
  O     18.30365971      5.96969088     -9.91018483
  H     15.58243516     12.32290686    -15.00395596
  H     11.67485985      5.12548794    -13.21433233
  O     12.54124862      6.81832518    -10.35689024
  H     14.92614703      8.07502898    -11.64450233
  H     13.21100539      5.20495187    -13.08118869
  O     19.07688250      8.72212961    -13.56366564
  H     15.64359167      7.48190622    -12.91411809
  H     13.75875920      5.47531996     -7.76281702
  O     12.51633024     12.18529357    -15.31591352
  H     13.19852912      9.54946378    -13.73783144
  H     13.56627418      6.20499308     -9.11430780
  O     13.08707851      7.96692249    -14.60325193
  H     12.92500919     11.07154460    -13.87273288
  H     15.24962623      5.20904000     -9.88208445
  O     15.56995673     10.50657365    -17.65829456
  H     17.00874608     10.07422850    -10.70744033
  H     15.76845741      5.97398367    -11.12971789
  O     12.39067253      5.72599090    -13.01978723
  H     16.89422408      8.90698303    -11.69694640
  H     16.29243228      8.04964939    -15.07495427
  O     14.23433640      5.87529321     -8.48528140
  H     18.72066541      6.11436988    -11.83802237
  H     16.20477673      6.50670568    -14.80709345
  O     15.81553882      5.12291659    -10.65941689
  H     18.96953099      6.98590620    -13.09127195
  H     16.08575781      9.33215809     -8.86401563
  O     15.72451226      7.34137160    -14.74251827
  H     17.71452944      5.28772350    -13.89316311
  H     15.91847074     10.81635307     -8.45426606
  O     15.85272304     10.21963582     -9.19451928
  H     17.59538526      4.39462009    -15.15102162
  H     16.76485930      9.82290593    -16.38327005
  O     17.16827828      9.54561864    -15.55171004
  H     17.48390870      5.51108120    -10.16335302
  H     16.80412211     10.13512302    -14.87350491
          69
 Energy    -249.78040635208626     
  O     17.22808244      5.60885538    -11.21268593
  H     16.67636364      5.64492978    -10.41798757
  H     20.82043326      7.37462210    -15.69148445
  O     19.50899984      4.85576141    -17.11672155
  H     17.26517424      6.51047263    -11.56435831
  H     17.48469879      7.20251985    -15.63586926
  O     17.42799866      6.00343927    -18.73967756
  H     18.81463838      5.14314769    -17.72085033
  H     16.85752146      5.89730568    -15.02227418
  O     13.58218134      8.02858366     -9.87357141
  H     20.07391093      5.62654176    -16.97637909
  H     14.00906443     10.61897927    -15.39365405
  O     13.43429373      6.41266254    -13.34343854
  H     16.60411737      5.69786038    -18.32013382
  H     14.42195466      9.13120257    -15.34618407
  O     17.16992039      8.05016784    -12.48978415
  H     17.31827154      5.88314324    -19.67897297
  H     13.02525919      3.01751940    -10.03067208
  O     16.34574697      4.11681212    -15.10414367
  H     13.42341897      8.76723185     -9.29060697
  H     12.86435182      4.45770986    -10.57419070
  O     11.97442014      5.92502885    -10.97785629
  H     13.90795426      8.40029305    -10.70931035
  H     13.81305782      6.98714571    -15.05690902
  O     20.53705239      7.55166017    -14.04441404
  H     13.81538654      7.22098666    -12.97274760
  H     15.25551444      7.23995416    -15.53017453
  O     15.21082003      5.21044399    -17.41281473
  H     14.04998568      5.69474219    -13.13772182
  H     18.79193372      5.24510137    -12.23011483
  O     19.00207754      3.32017086    -14.95051664
  H     17.11700311      7.61176736    -13.35509361
  H     19.33490806      4.56018474    -13.50852135
  O     20.88527706      7.28749836    -16.66205645
  H     17.85658739      8.72285582    -12.56403096
  H     15.94505820      4.75380883    -12.14929697
  O     16.91779573      6.85721536    -14.93507506
  H     15.90056375      4.05318671    -14.24761020
  H     14.63268390      3.96514162    -11.90977706
  O     14.58723629     10.00314073    -14.94930010
  H     17.21474996      3.70315487    -15.02004087
  H     14.73701007      6.53456806     -9.39352308
  O     13.50882104      3.74686010    -10.40850530
  H     12.36184902      6.65958905    -10.48537530
  H     14.70017423      5.00150471     -9.51222974
  O     14.32718922      7.39241538    -15.76988269
  H     12.25110647      6.06778997    -11.89351200
  H     16.51578295     10.20421756    -15.24833836
  O     19.50459400      5.27112404    -12.88032419
  H     20.10449499      8.33411427    -13.68852963
  H     17.68890649      9.60320997    -16.06602114
  O     15.19274317      4.34061026    -12.59976655
  H     20.18797498      6.77935629    -13.57382486
  H     14.47250254      9.36875779    -13.12612300
  O     15.27200486      5.74111006     -9.27248826
  H     15.52629356      4.68440430    -16.66327471
  H     15.50221451      8.57119967    -12.29922935
  O     17.46877650     10.25067644    -15.38222942
  H     14.71126263      5.93983024    -17.02776180
  H     19.47712230     10.73394693    -12.95160686
  O     14.56471627      8.81908820    -12.33997717
  H     19.23171353      3.83788357    -15.74382350
  H     18.54283871     10.10082571    -14.01287108
  O     19.09191244      9.90832458    -13.23112112
  H     19.48809900      2.50177686    -15.00433580
  H     17.91838271      7.50662392    -17.74531571
  O     18.24452698      8.11218606    -17.06699377
  H     21.76169246      7.56732457    -16.90833018
  H     19.19161608      7.93736885    -16.97644358
          69
 Energy    -249.77938386682479     
  O     15.91106624     12.24670441    -13.12070922
  H     16.55869650     12.09853688    -12.42060812
  H     13.51334386      7.68123076    -16.80358026
  O     14.10643863      6.58610231    -13.97195051
  H     16.38453648     12.09088255    -13.94586325
  H     16.34422707      4.27025928    -12.82741999
  O     16.19122315      6.73889873    -10.18027754
  H     13.92729874      6.54385322    -14.92163306
  H     17.78875920      4.70191930    -12.57653326
  O     18.74931547      7.73624744    -13.46209049
  H     13.37156932      7.03728595    -13.53462642
  H     18.73935521     10.82757533    -14.17907609
  O     13.22065481      9.58191740    -16.77257081
  H     15.40309938      6.79269040     -9.62164382
  H     19.20800504      9.53072247    -13.46622421
  O     13.69881968      7.20759203     -9.07453762
  H     16.30609244      7.63211825    -10.53860145
  H     15.44020641      7.76276143    -13.87253716
  O     12.15532168      7.79664606    -12.40281207
  H     18.80085459      7.15605406    -12.69270239
  H     16.03825802      8.93702808    -14.68397265
  O     16.24325329      9.27091808    -11.23136913
  H     17.80886288      7.93480298    -13.59334978
  H     14.23390631     11.96626482    -12.72674585
  O     16.56677492      7.01548887    -17.42104625
  H     12.61049988      9.98468009    -17.38430335
  H     12.91765900     12.66873692    -12.32562254
  O     12.24878420      5.43076776    -10.83100445
  H     12.84377329      9.70141020    -15.88178668
  H     12.03366803      9.15256141    -13.71369678
  O     17.91207363      5.85072302    -15.41645739
  H     13.09639157      6.60045591     -9.52121761
  H     12.58200930     10.59423365    -13.71842935
  O     13.81412875      6.77230690    -16.68111608
  H     13.52577220      8.07665299     -9.45785272
  H     19.20981961      5.61764672    -10.61154818
  O     17.22244669      4.26504407    -13.22428451
  H     12.62950042      8.39686775    -11.80736186
  H     17.77226604      6.15470119    -10.78131642
  O     19.23754874     10.49666737    -13.42194928
  H     11.98155319      6.99530105    -11.89467591
  H     14.56985014      5.46859309    -12.69559499
  O     16.09103529      8.47813122    -13.83915914
  H     16.17538169      9.09449483    -12.18260262
  H     15.28332072      5.54681905    -11.31520795
  O     13.30494915     11.81091276    -12.48064558
  H     16.84959590     10.01132898    -11.11818390
  H     16.98458931     10.89883201    -15.87487770
  O     12.23663260      9.89847623    -14.29153258
  H     16.93728180      6.69465357    -18.23864594
  H     17.78940219     12.19609471    -16.11312742
  O     18.57997811      5.91328891    -11.26450343
  H     17.04228435      6.55825761    -16.70293081
  H     14.49781713      9.46131976    -10.84915046
  O     14.75903997      4.96749672    -11.88503043
  H     13.10357629      5.13535633    -11.18834383
  H     13.33561310     10.39463950    -11.20572803
  O     17.49501030     11.59675055    -15.43146779
  H     11.72907869      4.64576823    -10.67905792
  H     18.50195697     11.14367976    -12.00114123
  O     13.53935570      9.56698468    -10.75386809
  H     17.60587525      5.18769531    -14.78217521
  H     18.52922840     11.94319670    -10.67328643
  O     17.94984470     11.47968096    -11.27076694
  H     18.40695384      6.48832942    -14.88856965
  H     15.03583335      9.65706655    -16.59593838
  O     15.98714877      9.56814957    -16.44712353
  H     14.72146487      6.74753834    -17.01145085
  H     16.26153884      8.72954161    -16.84326914
          69
 Energy    -249.77935056710538     
  O     10.86649901     13.15495161    -11.95823781
  H     10.71492594     12.79032339    -12.83947660
  H     12.64135440     12.49471649    -14.17539566
  O     13.77621364      8.56208975    -17.68494461
  H     10.60120077     12.47734374    -11.32575591
  H     15.29939516     10.07917990    -11.62706627
  O     11.39564618      9.20526214    -11.71437068
  H     12.82358826      8.74644004    -17.59661760
  H     16.75933414     10.44975137    -11.94447959
  O     14.29859438      8.84363395    -14.92521509
  H     13.86945114      7.90353435    -18.36737859
  H     14.62063547      7.84876610    -13.38995289
  O     14.22829878     11.38122392    -17.41653280
  H     11.75730371      8.43488558    -11.25740862
  H     15.48138874      8.13812843    -12.15554901
  O     11.57692223      9.32970071    -14.43257319
  H     10.87576118      9.73718172    -11.09849089
  H     12.28628680     14.19530233    -11.88917582
  O     13.45090685      8.55800247     -8.38068884
  H     14.81020978      9.66364051    -14.88190262
  H     12.83288251     15.63460775    -12.00906911
  O     13.68784305     10.84446023    -11.70302714
  H     14.21971606      8.61430868    -15.85960983
  H     13.56595195      7.15763672    -11.36536836
  O     12.12129979     10.98672940     -8.29018018
  H     14.19065944     10.44059845    -17.63107968
  H     12.65304499      6.10142605    -10.69808095
  O     15.67717577     13.66573155    -11.24147068
  H     14.82748740     11.45239389    -16.66301950
  H     16.73911383     12.67488151    -12.24572988
  O     10.14025931     11.08982218    -10.08741235
  H     11.39838083      9.18497734    -13.49325101
  H     18.17481765     12.47490081    -12.77803945
  O     13.53404331     12.69204626    -13.86102111
  H     12.52344513      9.17693181    -14.56165349
  H     11.09478766     11.06941470    -14.51467469
  O     16.21561010      9.76954055    -11.53116297
  H     13.27274270      7.97866153     -9.13101465
  H     11.04272956     12.20732168    -15.55603267
  O     14.82683185      7.52030818    -12.50449224
  H     14.37595832      8.82106266     -8.45909902
  H     14.17764823     11.61826146    -10.10702235
  O     13.09895385     14.71893634    -12.01332575
  H     12.90351237     10.28380744    -11.71870338
  H     15.14683509     11.28149433     -8.95475439
  O     12.84647395      7.03486749    -10.72000717
  H     13.60707625     11.48705800    -12.41768087
  H     16.32981811     11.52232620    -14.32374635
  O     17.31224054     12.06932585    -12.74962372
  H     12.88435538     11.54868565     -8.46596053
  H     14.85969076     11.86405241    -14.59823987
  O     10.96396831     12.02495841    -14.61059453
  H     12.48317120     10.08955818     -8.22928119
  H     12.56488273     11.96835576    -17.36783937
  O     14.58392003     11.98321076     -9.30408897
  H     14.88052058     14.14400400    -11.49665805
  H     11.44540188     12.77350820    -18.06567502
  O     15.60314656     11.32987471    -14.92483022
  H     15.42301727     13.17497879    -10.44711922
  H     16.24473946      9.60230092     -9.75071275
  O     11.61263511     12.17141165    -17.34546174
  H      9.29775184     11.12284242     -9.64258763
  H     16.92589599      9.37293915     -8.38091139
  O     16.09870840      9.61376867     -8.78985076
  H     10.82591060     11.09290620     -9.39369549
  H     11.18623160     10.26753922    -17.36280333
  O     11.20722217      9.31468259    -17.21174692
  H     13.47793957     13.50011218    -13.33666661
  H     11.15659793      9.20475637    -16.25138132
          69
 Energy    -249.77817314053760     
  O     16.56500491      9.34690194    -17.77257457
  H     16.73884284      9.11488505    -16.84646185
  H     17.68867977      6.14268828    -10.94511456
  O     14.88039567      6.23900336    -12.85927301
  H     15.74991761      9.85845740    -17.74924376
  H     20.04569053      9.39180239    -17.69994439
  O     19.08459383     14.24837530    -13.86048493
  H     15.68316323      6.45696477    -12.37074738
  H     21.34169585      8.61560673    -18.04345432
  O     19.71572285      8.11018652    -14.91964670
  H     14.26914905      6.97689772    -12.74515172
  H     16.43256133      7.73300648    -15.26535107
  O     17.98361282     12.26201345    -10.87991418
  H     18.21390031     14.26414533    -13.44421888
  H     17.87112645      8.32988856    -15.06498750
  O     15.49629751      9.95787758    -13.31799212
  H     19.67358785     13.83951739    -13.21309456
  H     14.79307597     11.37313101    -16.29716124
  O     18.54611671     11.99816257    -15.35714481
  H     20.09244917      8.25637957    -15.79612526
  H     13.72715029     11.47345207    -17.40825319
  O     18.61794525      5.78750022    -13.92483442
  H     19.87707253      8.89857549    -14.38300237
  H     16.81689461      9.75497756    -12.14999890
  O     13.13479893      8.51505971    -13.04879828
  H     17.79631033     11.31890091    -10.97724364
  H     17.62524302      8.59211007    -11.54069896
  O     17.50959196      4.93414358    -16.45173294
  H     17.36626473     12.73158673    -11.45435621
  H     13.96456581      7.68707783    -15.87617263
  O     15.28119021      6.37371378    -15.55856393
  H     15.98242661      9.42463441    -13.97033378
  H     13.65801769      9.17886051    -16.20535235
  O     17.45360479      6.72738585    -11.66183783
  H     14.65373577      9.52127221    -13.14454628
  H     21.11823028     12.87723336    -11.23806989
  O     20.51966660      8.55010061    -17.56608890
  H     18.89307681     11.35318595    -14.72708954
  H     19.61493723     12.55998443    -11.43488599
  O     16.93583274      8.55193318    -15.14694367
  H     18.79299342     12.86688602    -15.00868956
  H     18.98065944     10.05834479    -12.74101788
  O     14.30613857     10.86006232    -16.96159553
  H     19.15647306      6.52686226    -14.24354038
  H     20.11612422     11.10045187    -12.90224383
  O     17.61435187      9.55214832    -11.63779804
  H     18.24556662      5.37962879    -14.71426821
  H     16.12652701     13.28153749    -13.55365084
  O     13.32968880      8.40393746    -15.73649051
  H     13.09654684      8.46662915    -14.02248261
  H     15.74842839     14.43391580    -12.60190638
  O     20.46560577     12.66500283    -11.89956813
  H     12.23727900      8.59329521    -12.73870805
  H     17.52216608      7.72320757    -18.16953884
  O     19.67042964     10.36886061    -13.34586300
  H     17.76985607      5.64138430    -17.06918219
  H     19.02183392      7.42938222    -17.99398158
  O     16.42748063     13.78807690    -12.78399671
  H     17.62163765      4.10955597    -16.91699515
  H     15.63354543     11.38432412    -14.32509467
  O     18.16099072      7.00381533    -18.08742791
  H     15.12798264      6.17267432    -14.62094729
  H     16.73978281     12.05182262    -15.20023486
  O     15.80438972     12.10690433    -14.95105999
  H     15.92377377      5.74062794    -15.89903839
  H     18.12639449     10.35376327    -17.96239252
  O     18.99570651     10.75101971    -17.81717348
  H     17.87322591      6.36288752    -12.46206808
  H     18.90479200     11.28982838    -17.01969930
          69
 Energy    -249.77813642387312     
  O     -2.21469030     -1.27891001      7.12090899
  H     -2.78422631     -2.05652081      7.08134967
  H      2.51173728     -3.22423270      2.28200093
  O      0.14517333     -0.58339723      3.63050597
  H     -1.35165803     -1.57140300      6.79673992
  H     -1.64537977     -2.85847185      1.99248406
  O     -2.38571942      0.51055436      3.16758111
  H      0.98709249     -0.27037128      3.27905693
  H     -1.10347505     -1.63023513      1.19058697
  O      2.25965910     -3.89770447      5.27527878
  H     -0.15869857     -1.27892660      3.02491382
  H     -3.63425778     -3.00664080      2.58964706
  O     -3.79336458     -3.59225339      6.48275335
  H     -2.80307753      0.71238191      4.01511731
  H     -2.69960914     -4.03532136      3.31200501
  O      0.02408320     -2.27474078      5.79314506
  H     -1.48892865      0.21689797      3.38517584
  H      1.34052126     -3.84497799      0.26170925
  O      0.46968863     -5.43025645      3.60246516
  H      2.60291133     -3.45941952      4.47470587
  H      0.49331386     -3.43619511      1.45940678
  O     -5.28629959     -1.48321078      5.19201405
  H      3.01566131     -4.21818384      5.75934055
  H     -4.86793460     -1.44742396      3.46177066
  O     -1.46192485      0.07116391      0.49640863
  H     -3.09892707     -3.94445843      5.90267259
  H     -3.69913171     -0.74173837      2.72570689
  O     -1.67186839     -2.83707538     -1.59523750
  H     -4.10740456     -4.32547851      7.00656175
  H      1.39149028     -3.08558221     -2.27461720
  O     -3.55637777     -4.43457209     -0.14855652
  H      0.81938424     -2.82060552      5.75447380
  H      0.07050812     -2.90530815     -1.49447517
  O      3.02787796     -2.76130232      2.95669947
  H      0.11090672     -1.60759672      5.09624327
  H      2.13779572     -0.12980195      1.40216732
  O     -0.85457369     -2.34529749      1.79075443
  H      0.73570359     -5.14250079      2.72052426
  H      3.15758993      0.69782023      2.22082383
  O     -3.11865133     -3.81871698      2.46911926
  H      1.12217781     -5.05031357      4.20483680
  H      0.34173561     -0.09273316      0.04394219
  O      1.22839892     -4.01607166      1.20293285
  H     -4.79584841     -0.69699258      5.46438484
  H      1.25205217     -1.19724529     -0.54564177
  O     -4.40049746     -1.39627958      2.61477868
  H     -4.87351873     -2.22718097      5.64771863
  H     -3.97651146     -0.93179856     -1.05099379
  O      1.04066221     -2.89792761     -1.40797843
  H     -2.13252574      0.01166738     -0.19633362
  H     -3.72730594      0.04057981     -2.23152769
  O      2.54450160     -0.02924806      2.28238406
  H     -1.87418690      0.42265537      1.29490507
  H     -2.97294846      0.04945889      6.28577368
  O      1.26444384     -0.35810094     -0.07015283
  H     -2.16976761     -2.01938156     -1.70840142
  H     -3.65985032      1.43394739      6.34895863
  O     -3.28697141     -0.45043854     -1.54383661
  H     -2.26279359     -3.44666456     -1.13641161
  H     -1.18190524     -3.51274924      5.14923249
  O     -3.48410278      0.69796709      5.76849293
  H     -3.83332714     -5.33628880     -0.29030572
  H     -1.04426672     -4.83339273      4.37877513
  O     -1.69602536     -4.25627738      4.80407294
  H     -3.38310820     -4.34252887      0.80383584
  H     -4.65700456     -2.83677792     -0.15137997
  O     -4.98083335     -1.93153771     -0.07130935
  H      2.96625136     -1.82276331      2.74594326
  H     -4.91328994     -1.69958036      0.86587439
          69
 Energy    -249.77813475260032     
  O     -7.83212245     -2.83188363      6.18145039
  H     -8.45528551     -2.10934612      6.02901734
  H     -2.85439296      1.29381323      2.87011766
  O     -8.77529501     -2.54887284      1.68892912
  H     -7.02879052     -2.43844037      6.54224829
  H     -7.21813611      0.38573473      3.14187304
  O     -7.80744221     -4.19254482      3.84650765
  H     -8.55460007     -3.15567729      2.40676769
  H     -6.58304417     -0.97648957      3.58483679
  O     -5.18618840      0.44137903      0.85637634
  H     -9.52537446     -2.03143319      2.00365727
  H     -4.85899265     -1.96195812      7.83894613
  O     -6.42517391      0.85307940      6.34288075
  H     -7.84574538     -3.76342861      4.72008623
  H     -4.80500771     -1.57669192      6.34104050
  O     -5.09022935      5.06642829      1.55614812
  H     -7.92769298     -5.12670453      3.99348229
  H     -0.80050067      2.81420073      2.24405196
  O     -9.42176676     -0.67529785      5.25719432
  H     -5.99711656      0.91155427      1.11298692
  H     -2.14681632      3.37640952      2.76349189
  O     -3.92108088     -1.47327449      4.86338100
  H     -5.48271885     -0.42499265      0.55977303
  H     -8.62393051      3.45979409      3.99707619
  O     -3.89916192      2.92077081      0.36627061
  H     -6.04627482      0.09639178      6.80636072
  H     -9.35124726      2.67330033      5.10722243
  O    -10.88993927     -1.11263408      2.97407416
  H     -6.60308306      0.53719187      5.44135414
  H    -10.48457705      0.65295080      2.29058165
  O     -6.43092601     -2.08124024      0.37735355
  H     -4.71760965      4.31192730      1.06583184
  H    -10.04186319      2.05067242      2.80495168
  O     -3.60281600      0.76171172      3.16850386
  H     -5.18994490      5.77815572      0.92965854
  H     -5.77232626     -2.47152364      2.08046053
  O     -7.08443078     -0.21211530      3.88916098
  H     -9.48515190      0.10054170      5.82656145
  H     -6.32317753     -3.23098148      3.31385826
  O     -5.38475366     -1.61233700      7.12479725
  H     -8.62920037     -0.54230698      4.71058165
  H     -8.06573891      1.46864600      6.71147737
  O     -1.74094441      2.66065220      2.24160471
  H     -4.42250957     -2.00052626      4.22491163
  H     -9.17355772      2.07727200      7.60349206
  O     -9.47070905      3.05854523      4.23274037
  H     -3.67483787     -0.67532806      4.37901055
  H     -3.69932222      3.97985742      4.22797358
  O    -10.11993008      1.49870142      2.01054564
  H     -4.32223056      2.05253860      0.36717468
  H     -3.79105480      4.87445513      2.97750529
  O     -5.67167039     -2.57417658      3.03487147
  H     -3.07293056      2.81177928      0.85336109
  H     -4.43517792      1.94471518      4.28091706
  O     -9.01171005      1.68993952      6.74709791
  H    -10.47814891     -0.98854444      3.84529882
  H     -5.29195933      2.11281230      5.55809627
  O     -3.16882010      4.51709345      3.62366082
  H    -11.79105923     -1.38380101      3.13160578
  H     -7.23427069      2.41120563      2.29372193
  O     -4.83517195      2.60529743      4.86625726
  H     -7.31940658     -2.17438533      0.76666146
  H     -8.38781415      1.53427237      1.72089844
  O     -7.42522549      1.59546620      1.81214553
  H     -6.43652600     -2.58545916     -0.43211421
  H     -6.36017297      4.37368032      2.73699802
  O     -6.84609545      3.82361671      3.36469711
  H     -4.14319237      0.57831285      2.38749536
  H     -6.18159635      3.43213494      3.94928693
          69
 Energy    -249.77745195180177     
  O     14.19226984     12.50423244     -9.19805099
  H     14.32956237     11.63076657     -9.60372343
  H     12.43370862     11.52067529    -12.74412734
  O     13.52148484     11.41456011    -16.78074224
  H     13.89731692     12.34750558     -8.30435835
  H     12.84615328     13.99454459    -15.13237975
  O     17.44203294     10.76764799    -11.03323583
  H     13.59575536     10.65414034    -16.19224149
  H     11.70276094     13.18589124    -14.50713057
  O     14.47001540     16.37187711    -12.03931392
  H     12.97345910     12.07006959    -16.32450553
  H     10.24987437     12.93037824    -12.38267041
  O     14.17344560      9.45272421    -14.82473687
  H     17.60941492     11.09474977    -11.93280462
  H     11.69045834     13.41601317    -12.09277586
  O     18.27606396      8.20754722    -11.62721274
  H     16.49491624     10.58560901    -10.94628314
  H     19.27763166     14.80786084    -14.53256159
  O     17.44224640      7.78454584    -14.34582746
  H     15.41981524     16.15770006    -12.01905760
  H     17.82505985     14.44297147    -14.92846759
  O     15.34859178     12.81230686    -12.91752313
  H     14.39404953     17.29561005    -11.81503181
  H     16.03668909     12.03469249    -18.54684566
  O     14.69097256     10.18060044    -10.57764079
  H     13.78488962      9.94781806    -14.08930221
  H     15.05735501     11.87939854    -17.35810587
  O     16.73723190     10.27053423    -15.57337035
  H     14.28594466      8.54221473    -14.52785846
  H     15.84289170      7.12902017    -14.09116954
  O     16.56742742     14.41521932    -16.08303304
  H     19.06890238      7.93734324    -11.17053471
  H     14.75650299      6.03536084    -14.24081501
  O     13.26850440     11.03840993    -12.76071923
  H     18.08945252      9.11824348    -11.34639723
  H     17.56344047     15.23227511    -12.72165118
  O     12.15818606     13.34794587    -15.34035734
  H     17.38975264      8.61723334    -14.83163710
  H     17.04863496     14.88994263    -11.30533078
  O     11.15270881     12.85303020    -12.67830686
  H     17.83837291      7.97755348    -13.48682827
  H     17.56272665     11.24448956    -14.33687955
  O     18.48482266     14.38608609    -14.21214712
  H     16.14289343     12.41701630    -13.29834627
  H     18.18608769     12.60523050    -13.82819576
  O     15.98199373     12.08249180    -17.59638091
  H     15.62092184     13.14576633    -12.05466275
  H     13.26210218     13.74448359    -10.37730822
  O     14.91976929      6.90104715    -13.87595984
  H     14.12135350     10.40715425    -11.32748604
  H     13.36745805     14.98718695    -11.31034375
  O     17.07330566     15.59037677    -11.97293724
  H     14.89032049      9.23626470    -10.65543463
  H     16.44590709      7.66470822    -11.24191316
  O     17.83189370     11.74890275    -13.55543791
  H     16.61787831     10.83865529    -16.34425861
  H     15.16714068      7.32427269    -12.02037073
  O     12.78672158     14.26853024    -11.03175551
  H     15.84804145      9.99788202    -15.29990850
  H     17.05872655     12.54634939    -10.45167954
  O     15.48513982      7.62876297    -11.16125524
  H     15.74110081     14.68505810    -15.65997739
  H     15.81045256     13.19508006     -9.80823052
  O     16.57735783     13.37935255    -10.36533063
  H     16.36326783     13.65566029    -16.64169407
  H     14.66961048     14.11853772    -13.97358244
  O     14.33656218     14.89039696    -14.45767457
  H     13.96699087     11.70380416    -12.86935972
  H     14.26496983     15.58177397    -13.79091502
          69
 Energy    -249.77603238000520     
  O     17.71758582      9.03102409    -14.72520406
  H     17.79065324      9.93714478    -15.04685444
  H     12.31650474     10.52468509    -10.54132747
  O     17.86139165     11.76724474    -15.26114246
  H     17.08603143      9.04400517    -13.98607864
  H     19.43473279      3.32450471    -11.32537598
  O     12.84691998      7.24094732    -11.58774325
  H     18.25515534     11.95423917    -14.38854203
  H     18.46302039      3.81028328    -12.42643870
  O     16.35276549      6.84816283    -15.73508868
  H     18.32800954     12.30263857    -15.89708099
  H     15.46180754      5.90219894    -12.28528283
  O     19.63971422      8.11595092    -12.96784694
  H     12.80246752      8.18549350    -11.40173566
  H     16.46165058      6.47678942    -11.23323864
  O     20.05457298     10.19033251    -11.25658008
  H     13.74751682      6.96413381    -11.36704188
  H     20.03533829      5.05625101    -13.18278265
  O     18.24382901      6.66523907    -10.96432211
  H     16.89279406      7.60150408    -15.45728520
  H     19.73103084      5.43009017    -14.64818671
  O     12.47718023      5.97308655    -13.95524760
  H     15.45745767      7.19350698    -15.87256732
  H     16.07086612     13.93196548    -11.37245343
  O     15.33644927     12.40398685    -14.05282697
  H     19.03004427      8.45346712    -13.63846809
  H     15.87686314     12.85784970    -12.47252169
  O     13.78710219      7.83717361    -15.68549080
  H     20.01127959      7.29122946    -13.31299376
  H     17.66440822      5.63643327    -15.96740034
  O     13.73071054     10.07934380    -13.91133311
  H     20.95480868     10.21170310    -10.94139144
  H     18.56341855      4.77214630    -16.87508739
  O     12.90583051     10.07003443    -11.13820695
  H     19.99326885      9.44309593    -11.87734010
  H     15.76444727      8.07656377    -12.34467082
  O     19.11475319      4.10709017    -11.76592062
  H     18.56430460      5.76282883    -11.08986207
  H     15.91444869      9.56761352    -11.95132533
  O     15.53852956      6.48846484    -11.51889467
  H     18.66770268      7.19362283    -11.65486669
  H     17.99539912     12.52108272    -12.23158231
  O     20.30498880      5.64159729    -13.90137599
  H     11.62803842      5.54100224    -13.98099547
  H     19.21860577     11.56831862    -12.20601202
  O     16.26733586     13.02585332    -11.59455762
  H     12.52713642      6.44683872    -13.10529946
  H     15.82382346     11.46239838    -10.73968483
  O     18.39029288      4.99098303    -15.96258702
  H     14.71285155     11.67008461    -14.12515876
  H     16.31093602     10.13582571    -10.05745293
  O     15.93763617      8.95826971    -12.69951948
  H     16.09563442     12.18314948    -14.60588780
  H     14.20014875      5.24147191    -13.95224505
  O     18.75003731     12.21404200    -12.74864260
  H     13.24377587      7.20800946    -15.19443068
  H     15.57702422      5.69443429    -14.50722573
  O     15.54789634     10.57955474    -10.45960545
  H     13.66554964      8.68220240    -15.23532876
  H     18.59256549      9.65628233    -10.13808666
  O     15.15111902      5.09272200    -13.87983342
  H     14.52354960      9.61666521    -13.59561283
  H     17.90110326      8.30327810     -9.94233786
  O     17.82009225      9.24173931     -9.73401087
  H     13.18684663     10.17105625    -13.12132581
  H     17.79446345      3.80630389    -14.57083568
  O     17.40218286      3.45589842    -13.76133430
  H     13.80755802     10.24506915    -10.82089612
  H     16.52072822      3.85142929    -13.72449511
          69
 Energy    -249.77594803370570     
  O     12.62681857      7.16560624    -16.02833141
  H     12.05226179      7.11131028    -15.25485361
  H     17.46943470      6.57490650    -11.99736900
  O     16.24516895      5.35558530    -11.75202770
  H     12.65995947      8.09509427    -16.28616130
  H     19.87505179      9.93961269    -12.82820994
  O     15.50717472     11.40206114    -12.24909955
  H     15.85960668      4.85485981    -12.47917273
  H     20.52383384     11.05995268    -11.97991064
  O     17.65353124     11.26676434    -16.57950751
  H     15.52301911      5.87806615    -11.37473241
  H     16.21334549     10.34681928    -17.37571542
  O     14.85476409      4.14773226    -13.96114453
  H     15.09293422     10.93334871    -12.98914994
  H     15.92429460      8.91932310    -17.90210789
  O     13.68835756     10.65902879    -10.30228776
  H     14.86946025     11.35802999    -11.52271470
  H     17.18950487      8.36444356    -15.04457402
  O     14.17585224      6.95480317    -10.75096337
  H     17.62664994     11.50502730    -15.63527793
  H     16.93270941      7.80292642    -13.62958157
  O     14.36905490      9.83020009    -14.18518321
  H     18.04078511     12.01008073    -17.03479630
  H     11.61130311      6.22996200    -13.19586693
  O     18.56112398      8.63995800    -16.25466821
  H     14.97043853      4.79085420    -14.67882599
  H     10.17688898      6.69947822    -13.53686665
  O     15.56476583      8.78910412     -9.08486509
  H     14.98156516      3.28291040    -14.34359504
  H     13.37262790      4.72465650    -12.91254096
  O     20.00055271      8.50242852    -13.79263855
  H     14.20625876     10.07570361     -9.73569178
  H     13.14745980      5.61517524    -11.67215101
  O     17.99373976      7.35224961    -12.24339170
  H     13.17497362     10.07449593    -10.87666865
  H     16.92384040     11.88956188    -13.37019405
  O     19.68362019     10.70965586    -12.26253325
  H     14.62178604      7.46883732    -10.06773144
  H     18.42750611     11.56241886    -13.41116476
  O     15.53250282      9.79128813    -17.77609410
  H     13.68570303      7.59733515    -11.28426163
  H     16.70143291     10.30943638    -11.41356499
  O     16.48958158      8.09859961    -14.43547870
  H     13.90801617      9.92362951    -15.02610203
  H     18.21937256     10.11291093    -11.22749015
  O     11.09619091      6.93445037    -13.63028952
  H     15.11057774      9.22052767    -14.31399986
  H     16.15809053      6.71810506    -17.23137422
  O     12.68677261      5.14222584    -12.37715637
  H     18.10245910      8.09834430    -16.90875792
  H     16.79599094      6.59620320    -18.63311755
  O     17.69492759     11.88113296    -13.95178648
  H     18.35724159      9.56543382    -16.45029831
  H     13.26603248      9.15982776    -12.93302233
  O     17.36027970      9.77468271    -10.94579625
  H     16.27170667      9.12878605     -9.65795859
  H     12.03101241      8.26528527    -12.67271220
  O     16.72405265      7.17310848    -17.87671737
  H     15.92145278      8.75801526     -8.20048557
  H     12.54460971     10.56958847    -17.09431989
  O     12.70056835      8.80198962    -12.23315454
  H     19.40964925      7.94011168    -13.26948675
  H     13.93142931      9.88077918    -17.14979206
  O     13.07909627      9.89946385    -16.67751422
  H     19.65568092      8.49328895    -14.69359129
  H     15.59144841      6.80204554    -15.26720560
  O     15.13995295      6.16222737    -15.83891049
  H     17.73225314      8.09195914    -11.68048577
  H     14.22436383      6.46666414    -15.94919095
          69
 Energy    -249.77589517302141     
  O      0.78489036     -0.22903847      5.21555464
  H      1.30876031     -0.36028626      6.00200125
  H     -2.59999974      3.02291697      0.22970283
  O      1.86124733     -0.70722432     -2.68531430
  H      0.65736677      0.73308937      5.12032205
  H     -1.13378258     -0.40617572      5.23028808
  O     -0.44330539      0.11142142     -1.25412099
  H      1.81671277     -1.64570844     -2.46404006
  H     -2.27323496      0.63038159      5.45485057
  O      1.68416773     -3.32311113     -1.49846276
  H      1.01709645     -0.33476295     -2.39590513
  H      0.35079540      2.10967350      1.56764855
  O      3.14980751     -2.16109966      0.48083243
  H     -0.69895750     -0.80351656     -1.07696087
  H     -0.93831606      3.01738238      1.67981956
  O     -3.76933448      2.83081332      3.41624403
  H      0.14438763      0.38011874     -0.53399512
  H     -3.29943272      1.07638982     -0.49478484
  O     -3.16658926     -3.57673572      2.56628714
  H      2.08713870     -4.14558719     -1.76363022
  H     -1.92518350      1.25242073     -1.15936149
  O      0.18232023      2.37649961      4.89608992
  H      2.21431149     -2.97768720     -0.75769135
  H     -2.01504918      0.05500196      3.31014047
  O      3.61585901      0.32302358     -0.88412353
  H      2.74699128     -1.91172227      1.32232472
  H     -1.29542921      0.95789398      2.28197720
  O     -5.26005094      0.53298601      2.95179795
  H      3.47172761     -1.34076026      0.08644446
  H     -0.78230193     -2.58810824      0.29996021
  O     -4.31125137     -1.75375318      4.47467324
  H     -4.35531411      2.08047723      3.23480988
  H     -0.07558206     -2.96121974     -1.02974400
  O     -2.48511978      3.68138531      0.93857952
  H     -3.40666853      3.12316321      2.57433522
  H      0.84525667     -1.75675702      2.46221974
  O     -2.08663570     -0.27168275      5.15648278
  H     -3.50018271     -3.42157307      1.67433672
  H      1.45497777     -0.85460878      3.54974775
  O     -0.28613373      2.50746769      2.17733148
  H     -3.65483247     -2.98885914      3.15629188
  H     -2.98427814      2.62943925      4.90677744
  O     -2.72269538      1.73501292     -0.90591977
  H      0.08826733      2.52951071      3.94410723
  H     -2.97787681      2.91465334      6.42845825
  O     -1.78716652      0.13313812      2.37552714
  H     -0.69140666      2.53681474      5.27292444
  H      2.20638960      0.82931575      0.22743780
  O     -0.90104200     -2.62235981     -0.66257860
  H      4.35597571      0.77798870     -1.27560795
  H      1.47131479      0.18101746      1.43011771
  O      1.60815414     -1.19103966      2.65933221
  H      3.05933064      0.00181550     -1.61660452
  H     -1.08274530     -1.46819410      2.13448897
  O     -2.53309839      2.41973803      5.74663985
  H     -5.07461467     -0.23932768      3.49716190
  H     -1.50103255     -2.94486329      2.33714502
  O      1.39458532      0.86334985      0.74796245
  H     -4.99447692      0.27815677      2.05716989
  H     -2.67782887     -2.88246717     -0.50118358
  O     -0.76502672     -2.38205042      2.05853593
  H     -3.51987124     -1.29354071      4.79985232
  H     -4.07046754     -3.40080285     -0.92479965
  O     -3.61104692     -2.92920264     -0.23428873
  H     -4.75797738     -2.10166224      5.24351430
  H     -3.90762859     -1.16195358      0.30377948
  O     -3.93661491     -0.25296290      0.62313051
  H     -2.70249626      4.52996757      0.56252825
  H     -3.18171308     -0.13351268      1.22071630
          69
 Energy    -249.77447691498759     
  O     11.78059122      9.41524440    -14.43869773
  H     11.82811608      9.09831043    -13.52831695
  H     21.01099817      8.28379421    -15.73817781
  O     17.04993585      6.73186685    -13.59184286
  H     12.15937608     10.30278922    -14.44779740
  H     14.15408793     10.85658107    -17.56969403
  O     17.85769941     10.72059614    -12.47839508
  H     16.51675593      6.63429135    -12.79311403
  H     15.33126917     11.71591999    -17.05697545
  O     17.21019676     11.69284176    -17.22102471
  H     17.85877870      7.18732237    -13.32580462
  H     16.26086992      7.87523315    -14.73522328
  O     13.73858908      5.25512686    -15.38183443
  H     16.97512739     10.75047783    -12.87900306
  H     16.25215760      8.66388563    -16.08923523
  O     14.55677618      9.31488196    -11.14814790
  H     17.70065918     10.66923107    -11.52847591
  H     12.44949335      7.41212630    -12.14823538
  O     15.65516606      6.69929043    -11.19731667
  H     17.76323649     11.46409396    -16.45239087
  H     11.29355093      8.01226579    -11.31365237
  O     15.29737751     10.57248666    -13.48728271
  H     17.67669830     12.37451186    -17.69781731
  H     17.80423213      8.40212807     -9.95636304
  O     16.68652143      9.02018975    -17.91057072
  H     13.12441327      4.63843165    -15.77430643
  H     18.65953106      7.65742175    -10.99249363
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  H     13.49627444      6.13624113    -15.71081063
  H     13.53420297      5.67440946    -13.50329400
  O     16.63025471      5.20938553    -15.86404805
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  H     14.15561673      6.01043040    -12.11748661
  O     20.12943682      8.42675228    -15.40409868
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  H     18.57686605     10.99814205    -14.23119901
  O     14.37051253     11.62376978    -17.02711312
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  H     15.25431438      7.57875260    -11.16726164
  H     19.66690109      8.26991438    -13.60782193
  O     12.05135222      8.24832115    -11.84236892
  H     15.46462679      9.88548902    -14.15111143
  H     18.77474572      9.12041693    -12.66851298
  O     18.10658557      7.52209213    -10.21211171
  H     14.58536466     11.12960361    -13.82142032
  H     16.00865383      9.86647785    -10.19673440
  O     13.32997285      6.00065996    -12.62009886
  H     15.78008188      9.01160669    -18.24185191
  H     16.72472569     10.59798798     -9.04072891
  O     18.78519877     10.93318056    -15.17046026
  H     16.93282457      9.94702259    -17.79110171
  H     13.32796176      8.95087569    -19.16893367
  O     19.21060805      8.26057329    -12.75657839
  H     17.87814795      7.66211278    -17.47623830
  H     13.59018039      8.65498092    -17.67279635
  O     16.88029530     10.12772643     -9.85626111
  H     17.83503080      6.32971375    -16.68912179
  H     13.54517310     11.85964897    -15.53511105
  O     13.90401508      9.16407835    -18.43959812
  H     15.67332672      5.11628097    -15.82098315
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  H     12.65667255      8.37290024    -15.55715152
  O     13.29184879      7.88133532    -16.09933236
  H     19.53308222      7.88846688    -15.95560092
  H     14.17440485      8.09420308    -15.75609321
          69
 Energy    -249.77406145498483     
  O     -6.02956970      1.08776134     -0.07865872
  H     -5.29140667      1.68175832     -0.28230663
  H      1.43864736      2.81541201      2.53766427
  O     -5.18897813      1.44111816     -4.45240725
  H     -6.08297143      1.05635315      0.88469468
  H     -3.13552856      2.03817086     -0.24565782
  O     -5.72815449      1.04291962      2.72446583
  H     -4.89291677      0.56282545     -4.72261788
  H     -3.70236636      3.46213200      0.02246405
  O     -0.45266234     -2.02841661      1.00905887
  H     -5.93015679      1.29550233     -3.85178745
  H      1.07589400      1.09487665      0.58296089
  O     -2.44136576     -1.67396454     -0.93888472
  H     -5.02982990      1.70382508      2.87721776
  H      0.86121445      0.51935647     -0.86775237
  O     -4.21173749     -1.24434581     -4.80735207
  H     -6.35097789      1.13330163      3.44130386
  H     -0.56923532      4.01806935     -0.78213571
  O     -5.11123281     -1.60025636     -0.22429589
  H     -1.11461636     -2.10757277      0.30826518
  H     -0.07198706      3.71370028      0.66196251
  O     -2.10038574     -0.18477055     -3.28406834
  H      0.13332883     -1.31283834      0.72743683
  H     -6.57533386     -0.98516432     -2.82459814
  O     -3.04651657      2.49535020     -3.12183524
  H     -2.31172927     -1.24399036     -1.79532880
  H     -5.73786465     -1.93917018     -1.96081172
  O      0.44877052      0.90769503     -2.54584062
  H     -3.39199902     -1.75098659     -0.78125878
  H     -1.43343012      0.32140209      3.21908134
  O     -1.65075807     -1.51594051      3.37362149
  H     -4.84439494     -1.52679347     -4.12243452
  H     -1.70475656      1.09520611      1.92052889
  O      0.81714965      2.53989253      1.86816596
  H     -4.28342012     -1.87001935     -5.52293948
  H     -3.48658382     -1.49497269      2.77485986
  O     -3.83165545      2.66472674     -0.50346221
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  H     -4.77385847     -0.64304756      2.62827811
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  H     -5.42767347     -0.68811526     -0.25635117
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  O     -0.65988048      4.27545777      0.14341413
  H     -2.71580121     -0.61034924     -3.89480181
  H     -0.98941396      0.77774261      0.04205127
  O     -6.02964831     -1.78030351     -2.86829942
  H     -2.41378850      0.72402766     -3.18071204
  H     -2.19551542      4.66513773      0.82053083
  O     -1.41496289      1.20922605      2.83989116
  H     -3.39325639      2.61774362     -2.22605817
  H     -3.26027462      5.73390010      1.16920595
  O     -4.37772302     -1.49492975      2.40811816
  H     -3.79579498      2.24791258     -3.68261964
  H     -6.89632783      0.93966494     -1.63745546
  O     -1.94664449      0.82063535      0.16523038
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  H     -8.15963643      1.06210465     -2.51718901
  O     -3.10113240      4.79422066      1.15783206
  H     -0.30208032      0.40622426     -2.88861382
  H     -2.87994620      2.30562317      3.17467953
  O     -7.24440809      0.79300159     -2.53258901
  H     -1.19872463     -1.75366404      2.54258882
  H     -3.52599601      3.54962808      2.53007404
  O     -3.70526042      2.80532645      3.11666352
  H     -1.40463271     -2.17493015      4.01686365
  H     -1.46716206      3.24629772     -2.88408893
  O     -0.58540741      3.57383321     -2.63582312
  H      0.08491609      2.09874607      2.33080952
  H     -0.32667170      4.19722793     -3.31073621
          69
 Energy    -249.77392073453839     
  O     15.28506141     12.30819886    -11.12117174
  H     14.77575232     12.47351309    -10.31822894
  H     15.00385966      7.74959642    -14.37102430
  O     17.33719647      8.41196943     -6.97819600
  H     16.07992814     11.84963972    -10.82425381
  H     11.24997325     10.60126364     -9.08178803
  O     16.20720285      6.32070827    -11.66185271
  H     18.07281567      8.65585230     -7.55373369
  H     11.61223912     11.21162757    -10.45641305
  O     18.41809026      6.47491960     -9.90714301
  H     16.66336005      9.09219040     -7.10387912
  H     15.77725898      9.42397167    -13.59461270
  O     16.91618558      5.79305034     -7.57199805
  H     15.59361931      6.16222644    -10.93072971
  H     14.73224128     10.31151519    -14.26908978
  O     17.23274159     10.62557830     -9.86205601
  H     15.70603310      6.32010435    -12.48597804
  H     19.03051372      8.04241397     -9.42014750
  O     13.88931372     12.53255922     -8.63548262
  H     17.79192772      6.33509379    -10.62844578
  H     20.23547056      8.92757789     -9.02289073
  O     10.21424892      7.63891704    -10.72121592
  H     17.99121193      6.11103810     -9.12079247
  H     14.26363528      6.75143487     -8.93027038
  O     15.36079261     10.26756155     -7.81237259
  H     17.01693280      6.71882652     -7.28553755
  H     15.41123730      5.75590702     -8.67879514
  O     13.64566785      8.77394765    -11.22367353
  H     17.13406961      5.24754450     -6.82111916
  H     12.49869945     11.16249648    -12.77099505
  O     12.57923119      6.20099258    -11.12262684
  H     18.03846771     10.15777538     -9.60892313
  H     11.35650122     10.07944391    -12.74058884
  O     14.95060830      6.78360989    -14.25983854
  H     16.60000048     10.49528477     -9.14064303
  H     13.07526257      6.64219646    -14.11205898
  O     11.61591247     11.38634168     -9.50524081
  H     13.67540514     13.35459321     -8.20251195
  H     12.20120792      6.20229536    -12.94071485
  O     15.22253319      9.49226675    -14.38860961
  H     13.04513138     12.13588293     -8.91860028
  H      9.73692812      8.59720798    -14.08538804
  O     19.28266862      8.90274035     -9.03920439
  H     10.93125981      6.99200343    -10.78342028
  H     11.05971006      7.91586874    -13.66821022
  O     14.68297700      5.95182151     -9.28052018
  H     10.13939990      8.02591529    -11.59996059
  H     10.00697581      8.76357367     -7.77092688
  O     11.87399949     10.69285643    -12.20228917
  H     14.89802644     11.10254610     -7.95616281
  H     10.46824367      8.46792351     -9.21737675
  O     12.15390075      6.56423304    -13.83664581
  H     14.70965368      9.57151180     -7.98515783
  H     14.07118929     12.76807241    -13.99063269
  O     10.44729628      8.64125284    -13.45080427
  H     14.54010610      8.96289793    -11.53108593
  H     14.49102283     12.09071774    -12.66751200
  O     10.71560288      8.91810734     -8.38950764
  H     13.05729454      9.46155958    -11.55790994
  H     13.55854053      8.60052450     -9.47456238
  O     13.99583725     11.95602860    -13.49615320
  H     13.16275005      5.80142371    -10.46924486
  H     12.55386920      8.49984353     -8.30714226
  O     13.48333357      8.37666427     -8.53216559
  H     12.93916303      7.09235235    -11.26784792
  H     16.46120559      8.13145966    -11.76596871
  O     16.34351112      9.07308379    -11.94733588
  H     15.39688197      6.40232674    -15.01263318
  H     16.71888783      9.58018801    -11.21743556
          69
 Energy    -249.77383832156772     
  O     10.72472747      9.42638484    -12.79695819
  H     10.83251403      9.72911276    -13.70660543
  H     18.21422697     12.31050299    -14.05758712
  O     16.72126966     11.54177055    -10.72517614
  H     10.99788251     10.16658143    -12.24132112
  H     13.33355417     12.74019896    -14.15801424
  O     15.14118523     12.72766118    -14.57290471
  H     15.81367032     11.20699207    -10.72323877
  H     12.04523874     11.94614827    -14.49332679
  O     13.10383841      6.32079713    -14.38974605
  H     17.23524385     10.88462599    -10.24251309
  H     14.83630171     10.18473416    -12.66502300
  O     16.24754378      7.27456026     -9.46337578
  H     15.58165899     12.51874853    -15.40708850
  H     15.15695986     11.01091212    -13.93507903
  O     15.67713036      6.39472488    -13.21989813
  H     15.82157496     13.02924097    -13.95457344
  H     10.76613233      6.47024042    -11.72181777
  O     14.21325663     10.37229403    -10.96875430
  H     13.97063754      6.15235180    -13.99608946
  H     11.18368661      7.82248449    -12.34887228
  O     15.82469123      9.06620087    -17.00418045
  H     12.49096821      6.41909596    -13.65051898
  H     18.68419904      8.53197582    -12.32505426
  O     17.70345432      5.72234083    -11.38980392
  H     16.73006657      6.62635854     -9.99147495
  H     18.81173226      8.59331871    -10.78714124
  O     16.67404316     11.81212730    -16.75684689
  H     15.40385656      7.39327939     -9.91833534
  H     17.49724146     14.08469042    -12.34631269
  O     17.12382329      7.19569585    -15.54570703
  H     16.14221227      6.68297701    -14.01536702
  H     17.06265654     12.64138683    -12.00692945
  O     18.50837013     11.73024863    -14.77045056
  H     16.35141396      6.05562807    -12.61676653
  H     17.74700602      8.51700583    -14.41280630
  O     12.42005621     12.59204854    -13.88093016
  H     13.34823660     10.79486442    -11.03638523
  H     16.91343070      9.53390989    -13.60529178
  O     15.17455999     10.11780003    -13.56687983
  H     14.08822800      9.41248316    -10.95455994
  H     17.29397628      8.68601719     -9.29828002
  O     11.50741666      6.93950221    -12.09426966
  H     14.94848679      9.00630724    -16.59765335
  H     18.29211301      9.46496240     -8.41373420
  O     19.04100314      8.06090686    -11.55848179
  H     16.08881548      9.99238539    -16.95850271
  H     14.11410691      9.22397815    -14.70843745
  O     17.20878854     13.26605129    -12.74068944
  H     18.25293146      6.52360563    -11.47545336
  H     13.35668150      7.92385684    -15.13107800
  O     17.81871227      9.23083794    -13.76680858
  H     18.29940492      4.99034086    -11.25868844
  H     13.18094326      7.34323837    -11.42213215
  O     17.94657179      9.40872743     -9.30090672
  H     17.00749267     12.26729776    -17.52582738
  H     14.63567411      7.30195116    -11.95546150
  O     13.55401721      8.83385709    -15.39634364
  H     17.40426374     11.77754556    -16.11182323
  H     12.01602499     12.08641071    -12.28357995
  O     14.08254578      7.63116291    -11.23306902
  H     16.67118856      7.83469166    -16.12511700
  H     11.32511901     12.34896346    -10.92184848
  O     11.78086978     11.68196390    -11.42770388
  H     17.57300865      6.57800749    -16.11609933
  H     12.14226138      9.84931492    -15.47710965
  O     11.36443468     10.42940790    -15.39949506
  H     18.43219984     10.83083161    -14.42067397
  H     10.89020430     10.36755670    -16.22426938
          69
 Ord_Energy   -249.773407    
 O  -0.707216740      -4.03653097       2.12520242    
 H    4.04488407E-02  -3.42685461       2.25627756    
 H  -0.395755202      -4.90460348       2.36802959    
 O    1.25449610      -1.02402520     -0.163770840    
 H    1.82732868     -0.274501592     -0.365397632    
 H   0.402733058     -0.668484211      0.137821242    
 O   -2.32125807       2.36687469       4.08823776    
 H   -2.15185905       3.16827726       3.57580709    
 H   -1.60423648       2.31852984       4.73353052    
 O   -3.07448721       1.61999524      -2.28916891E-02
 H   -3.65408516       1.56650460      0.752819896    
 H   -3.52815247       1.23533869     -0.781263471    
 O    1.12811160      0.230876774       3.76950932    
 H   0.196340024      -2.94380896E-02   3.67963171    
 H    1.30735457      0.832900703       3.03201485    
 O   0.152600735       2.09786987       5.57916307    
 H   0.578511953       1.40418804       5.04842138    
 H   0.368147135       1.91462326       6.49022341    
 O    2.67545962       1.31931365     -0.715727091    
 H    3.45572448       1.60517144      -1.18089283    
 H    1.90506494       1.65464628      -1.21469426    
 O    1.35984826      -2.27975273       2.34960818    
 H    1.43958867      -1.52997148       2.94956207    
 H    1.46757483      -1.91300011       1.46127987    
 O   -1.52915704     -0.209218681       3.37709427    
 H   -1.88442433      0.666246057       3.57376218    
 H   -1.46235669     -0.284144193       2.41226768    
 O   -4.49258089      -1.85755134     -0.334218174    
 H   -3.70535374      -2.41898656     -0.305783361    
 H   -4.74163580      -1.69564378      0.583307624    
 O   -1.32015705     -0.437257230      0.664219201    
 H   -1.90736401      0.253638148      0.332103103    
 H   -1.67942548      -1.29146373      0.391544431    
 O   -4.08089209      0.100629359      -2.14101863    
 H   -4.81186342      0.166173056      -2.74913597    
 H   -4.28729343     -0.628102839      -1.52769601    
 O    1.38845646       2.08310199       1.68327641    
 H   0.560897171       2.37281632       1.27140379    
 H    1.98745489       1.87553036      0.957205057    
 O   0.976197839       4.05857277       3.66601801    
 H    1.30045605       3.45586061       2.98232508    
 H   0.788565397       3.50408816       4.43363619    
 O   -1.26905334      0.124807619      -2.77783489    
 H  -0.940833211     -0.769540071      -2.63748217    
 H   -2.22330761       8.87060910E-02  -2.64224863    
 O   -4.14133705E-02  -2.45373964      -2.10578561    
 H   0.530260861      -2.88771176      -2.73380256    
 H   0.533796191      -1.99375129      -1.47005212    
 O  -0.883742750       3.15668869      0.444155365    
 H   -1.69245601       2.66067624      0.244459957    
 H   -1.12457108       3.81240892       1.10826802    
 O   -1.47422659       4.72261858       2.71385908    
 H   -1.71266532       5.63784456       2.83329439    
 H  -0.575045824       4.61193371       3.07247949    
 O   -1.98593903      -3.04650784     -0.172350913    
 H   -1.35181046      -2.99940634     -0.900014222    
 H   -1.55387449      -3.48739028      0.571184099    
 O   -2.82167387      -2.63147140       3.48378587    
 H   -2.35141516      -1.79378581       3.61449599    
 H   -2.17745638      -3.22329473       3.08124018    
 O   -5.01986551      -1.42984641       2.44333267    
 H   -4.26937151      -1.91881967       2.82391119    
 H   -5.80624294      -1.76710522       2.86547565    
 O   0.419410378       2.15616965      -1.87035620    
 H  -0.185247973       1.49291813      -2.23363018    
 H   -6.38593286E-02   2.63621879      -1.18651223    
 O   -4.45156860       1.37415874       2.31740856    
 H   -4.64348412      0.438805103       2.46517920    
 H   -3.92247462       1.68195033       3.06092405    
          69
 Energy    -249.77298122637174     
  O     15.80042251     10.76220073     -9.82227463
  H     16.09668379      9.98128805     -9.34262069
  H     15.61469282      4.81948733    -15.25911787
  O     14.85133301      8.37182554    -15.23207853
  H     16.36360727     10.79961464    -10.60725965
  H     18.81823038      6.79022150    -10.87651977
  O     13.86755526      5.24128223    -12.14859811
  H     15.46613518      8.98048364    -15.66081647
  H     19.27847812      8.25491085    -11.10515060
  O     18.67919226      5.08593605    -11.70495482
  H     14.10675032      8.87171230    -14.86887652
  H     17.09946644      7.42646848    -13.33193136
  O     16.03940871     11.83247754    -14.24062830
  H     12.92470987      5.40513827    -12.03185565
  H     15.80932547      8.16620624    -13.73631502
  O     12.61399513      9.36987000    -13.93286046
  H     14.31999092      5.87917368    -11.57469349
  H     13.30454476     11.63396549    -11.55847576
  O     15.08939101      7.24242448    -10.73045515
  H     17.81985999      4.65541892    -11.86142870
  H     14.10982217     11.11075406    -10.34073808
  O     19.14564508      8.85498223    -14.89899571
  H     19.27330901      4.40350385    -11.40217039
  H     12.97572017     11.12385598    -13.74534046
  O     11.48876258      6.96356342    -14.68408392
  H     16.50184532     11.50852849    -13.45463519
  H     12.62449472     12.62518190    -13.81809152
  O     18.28733341      6.28228447    -14.21250241
  H     15.12297896     11.98405235    -13.98172933
  H     15.45535909      4.21651311    -12.25927263
  O     16.83361400     10.11836716    -16.14247285
  H     12.69947578      9.13586465    -12.99721956
  H     16.41105647      3.89364085    -13.41926261
  O     16.48308402      4.38202889    -15.28745294
  H     12.10379995      8.65137213    -14.33354617
  H     14.39670193      6.64272958    -15.08445159
  O     18.86618380      7.66191938    -10.46586461
  H     15.59537650      7.51545469     -9.95695935
  H     14.05526511      5.60404700    -13.96100497
  O     16.40264787      8.00010362    -12.99206203
  H     15.60027627      7.51752324    -11.50819479
  H     11.67567481      7.17988561    -11.60083169
  O     13.21680561     11.17995563    -10.71448136
  H     18.39429778      9.27714301    -15.33075338
  H     10.50374145      6.20946510    -11.32586067
  O     13.29521409     12.01376819    -13.52220623
  H     18.92003253      7.91845367    -14.80915783
  H     20.82081708      9.90010651    -12.40170940
  O     16.34780870      3.90513257    -12.45630173
  H     12.23796268      6.41936180    -14.95219608
  H     19.71752321      9.30475555    -13.30716779
  O     14.13561686      5.72379030    -14.91880747
  H     11.26641663      6.67418701    -13.78932612
  H     12.76779977      9.50564031    -10.95666442
  O     11.25916390      6.34918478    -11.89092018
  H     18.58756057      5.84794706    -13.40318509
  H     13.54000035      8.15754113    -10.99914701
  O     19.94881142      9.51501792    -12.38473269
  H     17.72693511      5.64851865    -14.67815786
  H     17.59169323      8.08037768     -9.35200095
  O     12.70779414      8.58245509    -11.24702592
  H     16.56953655     10.80140587    -15.49788122
  H     17.08470020      8.07654149     -7.89053944
  O     16.81700217      8.25556981     -8.78768485
  H     16.97680360     10.56348208    -16.97351564
  H     18.27894575     10.38559551    -12.14317942
  O     17.32287114     10.50497393    -12.16099013
  H     16.47491945      3.80192150    -16.04416916
  H     16.96632181      9.64300350    -12.42246783
          69
 Energy    -249.77274227581611     
  O     -1.38298972      3.20814883      3.22124063
  H     -1.94628446      3.20411281      2.43554390
  H      1.20341185      2.13018087      1.41532691
  O     -3.01750523      6.22711646      0.09360757
  H     -1.23666131      4.14061678      3.42225290
  H     -1.42071056      3.88424609     -3.58095923
  O      2.54780406      6.89230918      1.70756572
  H     -2.77300000      6.91774689      0.71730201
  H     -0.68399451      3.23611030     -2.38676685
  O     -0.86479026      6.09062799     -1.51916052
  H     -2.29065607      6.20535859     -0.55148473
  H      1.34414439      8.54507097     -2.82456775
  O      3.41655343      3.64043013     -0.76986261
  H      3.28684663      6.28935887      1.54854586
  H      1.10356976      8.17463718     -1.34255047
  O      0.51502190      5.16554717      0.76654963
  H      2.35297753      6.84310539      2.65237036
  H     -2.55435949      1.55199941     -1.92215966
  O     -1.67307307      8.07787965      1.83070015
  H     -0.25689068      6.76404723     -1.84819222
  H     -3.37099592      2.17941251     -3.06547848
  O     -1.11286863      2.23166386     -0.92819954
  H     -0.79698325      5.32851015     -2.11041639
  H      3.42348263      4.10256350      2.89235277
  O     -0.61459475      5.92741518      3.17222949
  H      2.72250614      3.06803585     -0.41810064
  H      2.30388765      3.21944330      3.52450341
  O     -2.87119860      3.52221016      0.85581085
  H      3.01987375      4.12698969     -1.50655939
  H     -4.93623088      4.18663380     -1.41275814
  O      0.81183529      8.59752668      0.32659927
  H      0.07659100      5.49676976     -0.02712964
  H     -4.18975943      5.52086444     -1.23318892
  O      1.21092260      2.49265958      0.52200238
  H      1.25882382      5.75148416      0.95867344
  H     -3.69446326      4.09447942     -4.82019854
  O     -0.57871306      3.87488986     -3.10777940
  H     -1.35049194      7.35741693      2.39806921
  H     -3.72863319      4.33368852     -3.29320652
  O      1.17716108      7.80881795     -2.24233434
  H     -2.03362741      8.74333774      2.41220180
  H      0.90633008      1.07994499      3.73922620
  O     -3.40735865      1.50431091     -2.37664418
  H     -0.26296759      2.13394693     -0.47940754
  H      0.11522987      2.32665201      3.27471063
  O      2.88879536      3.96995089      3.68501308
  H     -1.69076280      2.70031295     -0.30957512
  H      2.20437713      6.62742457      5.24953424
  O     -4.60739231      4.95569621     -1.89510204
  H      0.16267505      6.09861606      3.71948107
  H      2.24264901      5.45398123      4.23685539
  O     -3.24827553      3.87642261     -4.00625482
  H     -0.28705084      5.56194818      2.33367444
  H      5.36250869      4.80827273      1.37472444
  O      0.98817039      1.89407176      3.25003631
  H     -2.92011122      4.47010668      0.67025918
  H      4.09627553      4.39931469      0.58658886
  O      1.86327268      6.33672671      4.40879387
  H     -3.69562485      3.13441954      0.53576670
  H     -5.86276005      1.93505178     -0.33373791
  O      4.41010892      4.83057746      1.40302576
  H     -0.02815282      8.47526352      0.78236998
  H     -4.57088273      2.04223553     -1.18127749
  O     -5.11171042      2.49478754     -0.50874800
  H      1.48073339      8.12871453      0.84546215
  H      1.23853862      4.60798014     -3.02724207
  O      2.06100195      5.03473129     -2.75669355
  H      0.96973185      3.42929274      0.61063674
  H      1.85385050      5.96637602     -2.62590318
          69
 Energy    -249.77250090517870     
  O     14.33119513      4.54003785    -16.67504063
  H     14.38270675      4.05448378    -17.49352972
  H     15.24017507      4.87627137    -13.69510046
  O     13.15959041      7.58185551    -11.61242257
  H     14.49867844      5.47580228    -16.88891370
  H     14.69077306      7.72618984    -10.59404675
  O     17.02037658      5.71112897     -9.40194432
  H     12.20806055      7.61956288    -11.79557655
  H     15.56125045      8.83682462     -9.93378911
  O     12.29368871      4.79955984    -14.69447371
  H     13.60729347      7.87758497    -12.42404225
  H     15.16796490      8.11847701    -14.17531560
  O     12.24213336     11.15945260    -14.92202859
  H     16.49796094      6.51308827     -9.54996859
  H     14.51018622      9.46696270    -13.73007301
  O     14.85324332      7.17410878    -17.04003810
  H     17.83162052      5.83012018     -9.90868173
  H     17.12163472      7.71025387    -13.94676759
  O     15.47715302     10.63378902     -9.82411417
  H     12.78408585      4.73936227    -13.86552014
  H     16.51907183      6.46584181    -14.64650608
  O     19.12133325      6.00895487    -11.38385075
  H     12.93163197      4.64385448    -15.40186872
  H     10.51265326      8.95290784    -12.59007114
  O     12.60214157      8.54316251    -15.95779636
  H     13.12285911     11.35087481    -14.57677730
  H     10.51990157      7.61220527    -13.36188830
  O     15.57500105      3.69128553    -10.47681281
  H     12.32098376     10.34824923    -15.44162564
  H     11.15329778     10.99539668    -13.56567284
  O     17.70582497      3.93679035    -12.41295271
  H     15.56407070      7.43376308    -16.44286179
  H      9.93493165     11.48876310    -12.74785150
  O     15.92091369      4.77844281    -14.37757699
  H     14.08437564      7.71718916    -16.81953781
  H     14.42411997      4.48846675    -11.68943308
  O     15.56710144      7.91760967    -10.23830647
  H     14.58088489     10.78640417    -10.15102882
  H     13.65382617      5.79963957    -12.02802681
  O     14.35652505      8.51843663    -13.83660610
  H     16.07397116     10.90187078    -10.53314106
  H     11.13702993      6.05592161    -14.93283360
  O     16.68330398      7.41491627    -14.75564227
  H     18.67623870      5.24789959    -11.79897246
  H      9.75702307      6.47638688    -15.49200796
  O     10.63444140      8.00128210    -12.48550014
  H     20.04242311      5.77710081    -11.30230281
  H     13.00317768      9.53433657    -11.19606516
  O     10.65010671     10.85842420    -12.74305679
  H     13.16771635      8.48405568    -15.17139793
  H     12.12104452     10.73053729    -11.58894338
  O     13.96499940      4.96357037    -12.39488070
  H     11.83354945      7.98954855    -15.77244041
  H     14.08454077     11.09417804    -12.55956031
  O     10.54353738      6.81625676    -15.07363861
  H     15.40474735      3.00294800     -9.83941778
  H     15.55425840     11.25995876    -13.02935110
  O     12.97398674     10.49831712    -11.19840203
  H     16.06461243      4.39289902    -10.01070361
  H     18.01380353     11.42242123    -12.22444951
  O     14.64188938     11.22132866    -13.34210398
  H     17.04158666      3.68001745    -11.76219028
  H     17.42078904      9.99645897    -12.20941292
  O     17.19304550     10.93936482    -12.16380047
  H     17.20850651      4.14277914    -13.21629751
  H     18.22021425      7.51991727    -11.94285189
  O     17.56342230      8.18765297    -12.17968348
  H     15.46363764      4.54831752    -15.19527103
  H     16.82443966      8.06203750    -11.56593433
          69
 Energy    -249.77248908615894     
  O     15.94807510      9.41425748    -13.64784587
  H     15.89330702     10.00413553    -14.42085655
  H     16.83648274     11.12233252    -16.09668759
  O     17.98713733     15.13516371    -16.04442531
  H     15.24912101      8.77271850    -13.74252372
  H     18.59657773     10.98787149     -9.79866412
  O     20.34782502      9.33082247    -15.18613188
  H     18.60506676     14.66664265    -16.61747174
  H     17.31705008     11.65830744    -10.30087580
  O     19.64440504     13.76298293    -10.33198888
  H     18.53566543     15.62730615    -15.42136956
  H     21.62538775     16.84743569    -11.62991604
  O     15.53359033     13.96023088    -12.74115582
  H     19.76723649      9.11309175    -14.43209203
  H     21.88790564     18.26180030    -12.20056810
  O     19.93637041      9.82490269    -10.61345179
  H     20.72766062      8.51181061    -15.48988015
  H     21.57349198     11.83282439    -12.12029096
  O     16.39262480     11.51859927    -11.85988001
  H     20.34681045     13.18351538    -10.65344999
  H     22.42722511     12.51755456    -11.02128872
  O     18.70079090     11.40852163    -16.13988363
  H     18.98704868     13.17002156     -9.93914226
  H     19.98781255     13.36466510    -18.35694654
  O     21.58546114     14.03896947    -15.19230285
  H     15.45220507     13.97928624    -13.70218915
  H     19.47347012     12.71577901    -17.04832847
  O     21.60295138     15.75787318    -10.26969716
  H     16.35242504     14.43633220    -12.54165002
  H     22.90656694     14.81944262    -14.09509479
  O     21.09114622     11.67851940    -13.81268122
  H     20.34507499      9.18571606    -10.03323383
  H     22.93359760     16.03084067    -13.14145437
  O     15.93445835     11.13547663    -15.75188171
  H     20.59017643     10.53055492    -10.74444188
  H     20.50477665     15.37750027    -14.51278289
  O     17.98541214     11.70665072     -9.60135956
  H     15.95006315     12.33684795    -12.13711014
  H     20.48107658     16.65511851    -13.64351092
  O     21.71918624     17.35865178    -12.45424919
  H     16.04704049     10.78815246    -12.38408786
  H     23.63686020     14.31879005    -11.88158551
  O     21.66938063     11.93644564    -11.16107931
  H     19.24882476     10.63302408    -15.96583679
  H     24.59000416     13.90235951    -10.73643456
  O     19.90699055     13.50486497    -17.41711989
  H     18.52287761     11.81391980    -15.27528537
  H     19.01034631      9.23301184    -12.21646260
  O     23.39859050     15.21445516    -13.36405233
  H     21.15292535     13.91405709    -16.04541801
  H     17.78333497      9.05050856    -13.16891348
  O     19.92606326     16.08078816    -14.18581396
  H     21.49261229     13.20078123    -14.71701259
  H     17.83832709     11.92447384    -12.98706628
  O     23.67640536     13.88733521    -11.00886718
  H     22.35821887     15.16350189    -10.35243869
  H     18.38859206     13.31828845    -13.30211515
  O     18.73430532      8.91420830    -13.08404137
  H     20.83414211     15.18395676    -10.14918721
  H     14.91383636     14.46956435    -16.07915418
  O     18.47220565     12.38818009    -13.54778273
  H     21.05490259     10.84668418    -14.29816065
  H     16.41930777     14.39100682    -15.75074436
  O     15.56176894     13.95585583    -15.60272547
  H     20.16748213     11.92873634    -13.64092282
  H     18.76133169     15.41741003    -12.95137323
  O     18.16475648     14.89788908    -12.39774243
  H     15.70323431     12.07081480    -15.68569509
  H     18.66817517     14.58282523    -11.63334348
          69
 Energy    -249.77146036469068     
  O     15.10132950      8.54808749    -16.36848981
  H     14.63018548      7.70476800    -16.43869813
  H     16.56151537      2.52482271    -16.00408360
  O     13.49487477      3.33071329    -15.78790122
  H     15.55205968      8.52481768    -15.51887057
  H     21.25293868      3.34120282    -15.20694010
  O     17.91963018      6.09283766    -12.02229634
  H     14.33113245      2.96782893    -16.13347871
  H     20.20149549      4.08613527    -16.06648195
  O     19.59374874      4.58002564    -17.60303601
  H     12.80495025      2.72321293    -16.03982917
  H     18.99540728      7.73786914    -16.46339400
  O     17.25607520      3.62611868    -18.93255753
  H     17.49334355      5.23337021    -12.15705994
  H     18.09887782      7.69360340    -17.73634484
  O     14.22814079      6.96298449    -10.04117385
  H     17.45335196      6.72783976    -12.57798516
  H     17.22780352      4.76317736    -15.37428957
  O     14.14978840      4.22081054    -13.18422658
  H     18.84510224      4.18214009    -18.06387974
  H     17.56624009      6.02293454    -16.24106341
  O     16.74681033      7.83270584    -14.01690102
  H     19.42509441      5.53251574    -17.58990108
  H     15.12781896      3.50157861     -9.80629717
  O     17.77426413      3.10849883    -14.75866310
  H     17.28202692      3.20178545    -19.78671658
  H     15.97614393      2.53165181     -8.94700273
  O     13.62949252      4.17450090    -10.41106782
  H     16.73403195      4.44053469    -19.04347119
  H     15.26005050      5.72949822    -16.30595652
  O     19.35704505      8.57430329    -14.82955942
  H     15.13034156      6.70184608     -9.78512742
  H     13.86940496      5.07754490    -16.42003135
  O     15.89202222      2.46101168    -16.69951661
  H     13.92910553      7.59449883     -9.39266454
  H     20.31781187      5.45622952    -14.15059036
  O     20.44806336      3.84943417    -15.15308724
  H     13.85627344      3.90868314    -14.04648003
  H     19.51286181      6.12587488    -13.00537110
  O     18.71202076      7.17751495    -17.19692423
  H     14.14275091      5.19180421    -13.19005932
  H     16.57809965      3.34668426    -11.37352608
  O     16.92198542      5.64105403    -15.63078243
  H     16.75573945      7.01630497    -14.54639851
  H     15.78780335      3.79578962    -12.63411154
  O     16.03974040      3.24080823     -9.58036037
  H     17.57736571      8.28214723    -14.21636061
  H     17.26555145      6.15096275    -10.25324464
  O     14.37212436      5.85738198    -16.67778486
  H     17.48520450      3.16738001    -13.83691569
  H     16.60906674      5.07928762     -9.36090645
  O     20.18202140      6.28904664    -13.68411077
  H     18.72902309      3.24376652    -14.78985499
  H     16.09765651      6.78451258    -19.10481323
  O     16.67819344      3.61054989    -12.29556102
  H     13.66047904      5.12293433    -10.23313165
  H     15.13741143      5.83804466    -18.36946803
  O     16.72180994      6.03260605     -9.46289169
  H     13.64109810      4.08926866    -11.37448626
  H     14.25350578      7.05787193    -11.91754873
  O     15.76119248      5.88189695    -19.10786256
  H     19.95499966      9.29169394    -14.63954154
  H     15.07430123      7.40425518    -13.18421519
  O     14.29641097      6.92814959    -12.87441939
  H     19.73390623      7.77435510    -14.41619802
  H     16.10079841      8.63156192    -17.80112687
  O     16.69699315      8.54907849    -18.56726584
  H     16.31577180      2.79796750    -17.49757274
  H     16.58049187      9.33472582    -19.09420503
          69
 Energy    -249.77094152172839     
  O     14.08329314     11.77213824    -12.61104770
  H     14.78790525     11.93296797    -11.97145796
  H     18.55505112      5.03119617    -12.91530589
  O     15.27691316      5.98674823    -13.81432426
  H     14.48555126     11.90569833    -13.47711777
  H     18.22725822     11.10639723    -13.40486925
  O     17.18766329      6.96488571    -10.08182398
  H     15.07082433      5.89351680    -14.75480851
  H     17.10926445     12.01898346    -13.97740920
  O     18.68448936      9.32996540    -13.52443244
  H     14.45030824      5.99493843    -13.31286294
  H     15.79571639      7.68773819    -13.70032940
  O     12.80544782      8.22987881    -16.39975616
  H     16.52679797      6.66772685     -9.44647414
  H     15.64697512      9.03311916    -14.45315409
  O     13.55893133      8.22320916    -10.32184370
  H     16.86706411      7.82353958    -10.39757262
  H     12.80706710     10.67633549    -12.16300488
  O     13.08690554      6.07343451    -12.10878652
  H     17.75633669      9.05641895    -13.57373996
  H     11.33728070     10.60285504    -11.69144137
  O     15.99303087      9.27580225    -10.99544346
  H     19.07814742      8.82616887    -12.79655856
  H     15.40735405      4.22570093    -11.07610894
  O     16.96630797      7.73225554    -17.27152802
  H     12.03154834      8.27117953    -16.95477346
  H     14.62976038      4.79750175     -9.87852989
  O     18.84100908      7.24072573    -15.40105690
  H     12.48804321      8.13904193    -15.48268059
  H     11.99038050      8.73360012    -13.23348724
  O     14.74171253      6.10738092    -16.49284510
  H     14.42934495      8.60770871    -10.51126911
  H     12.23440762      7.21446748    -13.32717518
  O     19.37390360      5.26714620    -13.38268434
  H     12.92385396      8.83359150    -10.71505433
  H     18.90282884      7.32441868    -10.94207250
  O     17.77606207     11.95429562    -13.28361555
  H     13.43489440      5.29240441    -11.65425123
  H     19.64967658      6.76084354    -12.16501235
  O     15.98407875      8.63525700    -13.64389908
  H     13.23443019      6.81374767    -11.50462123
  H     16.42925835      5.25103171    -12.70278042
  O     12.10007658     10.06525578    -11.88893095
  H     15.94245966      9.12129845    -11.95173826
  H     17.10101586      5.62281071    -11.34597840
  O     14.54058775      4.22683861    -10.65205006
  H     16.19064104     10.21011548    -10.86529436
  H     14.24723254      6.99050436     -9.15012454
  O     11.99432090      7.99094441    -13.84906422
  H     17.40086745      7.69976428    -18.11962946
  H     14.46466442      6.33826461     -7.76832871
  O     19.56776938      7.54343856    -11.60569623
  H     17.64481348      7.51987930    -16.60515930
  H     15.41659132     12.78587180    -15.72461117
  O     17.02368697      4.92195361    -12.00921327
  H     19.02186294      6.49599632    -14.81645786
  H     15.41465750     11.25095264    -15.54855025
  O     14.76667773      6.32277831     -8.67341443
  H     18.94617994      8.03066680    -14.85407833
  H     16.76015842     12.67869169    -10.36031458
  O     15.52252162     12.09337273    -15.07668478
  H     15.51660876      6.56176439    -16.84758434
  H     16.97440855     12.05737125    -11.76302316
  O     16.41055329     12.03317087    -10.96744533
  H     14.01570953      6.74106916    -16.54715336
  H     14.33774345      9.21231142    -16.29739970
  O     15.20728788      9.61853496    -16.17839129
  H     19.91302124      4.48036672    -13.40200358
  H     15.85400886      9.04471737    -16.61149025
          69
 Energy    -249.77073397677876     
  O     13.03745775      2.97095685     -9.55169891
  H     13.51951475      2.15779773     -9.35472592
  H     14.29508550      8.17233012    -10.46218734
  O     11.85297401      2.37616214    -12.02285049
  H     12.56650074      2.79581031    -10.37980294
  H     13.66475189      6.69823682    -12.08432412
  O     16.11132143      3.16248953    -13.10887745
  H     11.34598115      3.19333220    -12.12214474
  H     13.75784577      5.89320830    -13.40786153
  O     16.54689694      5.64547644    -14.24787709
  H     12.49881645      2.36615523    -12.74199345
  H     12.58581285      4.77085841     -9.03274439
  O     11.54489214      8.56202170    -12.15371233
  H     15.83675704      3.49108915    -12.23895998
  H     11.71279091      6.01908132     -9.36322834
  O     12.54436100     -0.27936184    -11.42037251
  H     16.39534330      3.94558302    -13.60065457
  H     14.54573951     -1.25672665    -14.22998647
  O     14.44073499      0.51509026     -9.62399736
  H     16.70038613      6.33841048    -13.59445483
  H     14.94833338     -0.21738745    -13.15418121
  O     16.86379715      7.70549772    -12.23476117
  H     15.75318701      5.91341149    -14.72846911
  H      9.55209165      7.29137749    -10.02083969
  O     10.50701428      5.44559549    -15.00695246
  H     11.55216439      8.37365289    -13.09964808
  H     10.72458350      7.52521545    -11.00344217
  O     13.94773519      6.22142856    -15.21556240
  H     12.47100748      8.67829654    -11.90032557
  H     14.49300757      3.80218143    -10.28913574
  O     12.64952965      3.85395631    -16.05796112
  H     12.10326624      0.56340074    -11.59781815
  H     14.57446708      4.84489288    -11.42213552
  O     14.22406552      8.32859393    -11.41426133
  H     12.99785308     -0.51248926    -12.23973494
  H     14.55941110      2.59188855    -13.82185790
  O     13.52202489      5.82548456    -12.47419150
  H     13.74877445      0.14881586    -10.20400285
  H     13.82024083      1.26437048    -14.14400104
  O     12.49289562      5.71910434     -8.88189550
  H     14.62308418     -0.14792388     -8.96270438
  H     15.66644251      0.64739830    -11.18550048
  O     14.22201969     -0.50790840    -13.73741689
  H     16.91273399      7.21514481    -11.39400785
  H     16.25716334      1.42235752    -12.39754114
  O     10.32470926      6.87715346    -10.39541789
  H     17.65021385      8.24319098    -12.28453318
  H     11.83214972      5.22833431    -12.36269792
  O     15.11606744      4.28720466    -10.84199314
  H     10.49333426      5.21249349    -14.06761047
  H     10.50401363      5.50194711    -11.63210524
  O     13.72257093      2.22518283    -14.14465174
  H     11.11475251      4.82346679    -15.42450269
  H     14.31003220      8.06327442     -7.88198008
  O     16.06384986      0.53802722    -12.05730886
  H     13.27079390      6.91035793    -15.20276944
  H     13.74853166      6.89416917     -8.72456461
  O     10.90987573      4.93247949    -12.29561710
  H     13.54095375      5.43769297    -15.60873237
  H     16.27419841      5.53075964    -10.15974569
  O     14.42008608      7.60029315     -8.70782616
  H     12.69098449      3.40881160    -16.90078435
  H     16.04593924      6.80355194     -9.33827957
  O     16.70070168      6.35685696     -9.88884533
  H     13.00633873      3.23557091    -15.39822706
  H     11.27086508      8.49112063    -15.59944634
  O     11.66190998      7.89925325    -14.96159565
  H     15.11556966      8.25558414    -11.77846037
  H     11.16315928      7.06355939    -15.01041851
          69
 Energy    -249.77045883226737     
  O     16.72260583      9.69907163    -11.94564829
  H     16.89780412     10.61197915    -11.68474776
  H     13.26301982      8.45179867     -5.87967193
  O     17.26255441     12.22001426    -10.89132548
  H     17.55603517      9.20716959    -11.91056209
  H     18.46375351      3.40785455    -13.20805975
  O     13.10130290      6.04620119     -8.36376492
  H     17.97112424     11.93306003    -10.28585193
  H     17.23444475      4.34401599    -13.27387658
  O     14.62772344      8.36283718    -13.17171064
  H     17.52813575     13.06147806    -11.25210197
  H     14.87639920      5.67575802    -10.79361293
  O     18.93297002      8.08343371    -11.62884957
  H     13.93710131      5.79902549     -8.78250021
  H     15.50487625      6.74343410     -9.86955786
  O     20.52100485      8.90454187     -9.43827006
  H     13.32096711      6.70136524     -7.69204709
  H     18.80212687      7.38877230    -13.37198715
  O     18.09062799      5.65985598    -10.49217333
  H     15.01298216      8.02641505    -13.99084078
  H     18.54942922      5.94077575    -13.81455825
  O     11.60510126      6.53342698    -10.58533837
  H     15.33134929      8.88117359    -12.75498692
  H     17.54345817     11.12648372     -5.94221102
  O     15.39856029     11.89007511     -8.71002411
  H     19.57490601      8.43959973    -11.00434190
  H     17.16498192      9.94609283     -6.86526554
  O     12.62019288      9.13629179    -11.20968928
  H     18.59916888      7.26370887    -11.23429665
  H     16.20359768      7.39321700    -16.21627468
  O     13.54076421      9.88105121     -8.74318135
  H     21.44783052      8.74734883     -9.27900099
  H     17.00212195      7.14904845    -14.91466690
  O     13.82575663      8.20414152     -6.60901584
  H     20.02952251      8.24052235     -8.92105002
  H     16.13927985      8.92576839    -10.43428914
  O     18.14957383      4.26939216    -12.94723321
  H     18.21658303      5.09535225    -11.26483800
  H     14.96666928      8.94130230     -9.41322618
  O     15.39411844      5.78578103     -9.98436426
  H     17.14783365      5.60901949    -10.27532958
  H     19.61285871     10.51659823     -9.22078738
  O     18.54830388      6.85210420    -14.13357075
  H     10.71490728      6.20884863    -10.48108669
  H     18.57712136     11.17606348     -8.28027073
  O     17.38828846     10.89091545     -6.85358916
  H     12.06863033      6.36022495     -9.74663802
  H     12.94554838      5.98366838    -11.78535344
  O     16.10405444      7.19292006    -15.28939004
  H     16.03441371     11.64216156     -8.02790368
  H     14.06267696      6.74377935    -12.54811430
  O     15.77427972      8.47417142     -9.66470658
  H     15.92221483     12.08095826     -9.49694125
  H     18.25021504      7.30490846     -7.67698809
  O     19.05771214     11.29788132     -9.10895813
  H     13.21189616      8.98652849    -11.95602448
  H     18.72321942      6.43138161     -8.87201859
  O     13.78334522      5.86505789    -12.24826710
  H     12.18253874      8.29165659    -11.04175631
  H     15.77343244      8.10405854     -6.72108543
  O     19.02720223      7.03337432     -8.17920992
  H     14.07729347     10.68843995     -8.76157386
  H     16.47527313      8.32912782     -8.06355756
  O     16.64448611      8.24492973     -7.10997923
  H     13.12315717      9.75073633     -9.60790802
  H     14.92947935      4.91795621    -13.35925247
  O     15.66297538      4.69496570    -13.94792296
  H     13.65166182      8.84261286     -7.32410028
  H     15.75138611      5.45376869    -14.53804489
          69
 Energy    -249.77038341127405     
  O      9.68245506     10.12837497    -10.91157216
  H     10.36593990     10.41801195    -10.28072779
  H     11.16906649     10.76137983    -17.43400234
  O     14.32120712     10.92567469    -12.77876658
  H      8.87905997     10.01041075    -10.41232759
  H     13.72563504     13.97652244    -15.31658732
  O     16.87750250     13.09084297    -14.28693821
  H     15.18028834     11.19908490    -12.43573806
  H     13.73993843     13.72911506    -13.79969038
  O     16.26135800      7.76154307    -12.74442413
  H     13.71215458     11.66128982    -12.63181669
  H     13.73883621     13.07006441     -9.58869557
  O     10.46242331     11.56768774    -13.18703591
  H     17.41288346     13.82524718    -14.57629987
  H     12.87417172     14.27724000     -9.14586289
  O     12.38569095     14.01953972    -16.62288634
  H     15.95010797     13.35893825    -14.41797686
  H     18.04091019     10.15814038    -14.02781299
  O     14.09083628      9.48843251     -9.09299934
  H     16.12966239      7.80197142    -13.69955458
  H     17.39919168     11.32600022    -14.80588184
  O     12.64591641     13.10070681    -12.46020982
  H     15.39129880      7.87238260    -12.33855797
  H     14.90811405     11.19613313     -9.30087932
  O     13.90711375      9.96784590    -15.33689505
  H     10.76889619     10.83587645    -13.74230485
  H     15.79391479     12.08857977    -10.20625667
  O     18.23241999      9.53111193    -12.22700256
  H     10.07686221     11.16043351    -12.40167315
  H     12.18557437      9.52170180    -14.99380171
  O     11.64383101     10.96501842     -9.25686392
  H     12.15867885     14.78908637    -17.13834025
  H     10.77851809      9.63572373    -15.62637793
  O     10.25633799     10.48811108    -17.22567850
  H     11.55401419     13.68709330    -16.24071809
  H     16.50369381      7.82157838    -16.29317756
  O     14.31574534     13.89327679    -14.55866908
  H     14.00744530      9.06237084     -9.96316140
  H     16.73125979      9.07822513    -15.41601814
  O     12.86847732     13.49766395     -9.69408621
  H     14.31937560      8.80169723     -8.47194202
  H     12.79585342     12.28695262    -17.30420594
  O     17.71554424     10.41912020    -14.89877889
  H     11.82069108     12.64258445    -12.67445691
  H     13.29589869     10.91139742    -16.80628477
  O     15.16669871     12.11073466     -9.47158845
  H     12.64176493     13.31708887    -11.51986973
  H     10.61129255      8.68909387    -11.80797564
  O     11.24083455      9.41882197    -14.80791588
  H     14.10818687     10.39316858    -14.49144817
  H     11.12910464      8.40794784    -13.23035266
  O     16.14185397      8.31549479    -15.56247010
  H     14.60680330      9.32299194    -15.49517790
  H     16.88932294     12.38358189    -12.56603160
  O     12.81234990     11.34692439    -17.52239971
  H     17.54165042      8.85358244    -12.34674502
  H     17.34092178     11.08316713    -11.83540988
  O     11.17838747      8.09686503    -12.31605314
  H     18.98388740      9.09477478    -11.83593202
  H      9.98156502     12.10775653    -16.21860136
  O     16.76279581     11.85525314    -11.76647504
  H     12.42976720     10.42098533     -9.12679499
  H     10.09599222     12.56448420    -14.75289201
  O     10.09732238     12.88882814    -15.66255065
  H     11.96157116     11.87150921     -9.34795834
  H     12.89142995      8.23356078    -11.83005603
  O     13.79702359      8.50076691    -11.61728252
  H      9.87081768     10.16866035    -18.03636160
  H     13.94388835      9.35781604    -12.04689418
          69
 Energy    -249.76982037254015     
  O     18.53039149      7.17466412     -9.90471856
  H     18.19499690      6.31574143    -10.19898356
  H     16.19363789      8.03050561    -14.96407941
  O     15.52946917     11.00314576    -14.24703290
  H     17.93792815      7.45491036     -9.19782371
  H     13.76099875      3.56967075    -13.60508656
  O     13.18025311      6.37591212    -12.31308788
  H     15.70951033     11.87067325    -14.59920053
  H     15.11711707      4.12534405    -13.09916025
  O     13.00754845      3.37782207    -15.30424481
  H     16.15691505     10.86248399    -13.51478924
  H     15.66922848      8.14110388    -11.06383309
  O     13.10135169     10.15632885    -13.02596804
  H     13.39805711      5.45127844    -12.47871982
  H     16.09792673      6.63876015    -11.18341024
  O     15.68997230      9.64034971    -10.00276664
  H     14.01442789      6.79538050    -12.04439821
  H     20.20909703      8.70895360    -12.10479218
  O     17.19118644     10.57061073    -12.16229085
  H     12.69769489      4.21418165    -15.68666426
  H     19.03613643      8.11248680    -11.29438385
  O     15.79649454      3.86715013    -16.07929187
  H     12.44911916      2.69122317    -15.66162027
  H     12.49554169      6.95520603    -10.66063328
  O     16.46979268      7.84556057     -8.00692234
  H     13.89958054     10.52444354    -13.42537439
  H     12.52601861      8.28870085     -9.89652741
  O     12.21340946      5.82393506    -16.40121487
  H     12.84232878      9.41895231    -13.58998788
  H     14.58227707      5.17334673     -9.01371584
  O     14.99685162      6.27705820    -17.23732916
  H     15.92091888      9.14620040     -9.20547191
  H     13.77615250      6.48820904     -8.92443049
  O     15.47636577      8.45429694    -15.45757392
  H     14.74461669      9.84082593     -9.98134844
  H     12.93727142      7.27902874    -13.80675327
  O     14.23853061      3.83509623    -12.80986127
  H     16.70703783     10.36444580    -11.35070153
  H     13.79482383      7.98750584    -14.90896357
  O     15.61834221      7.35442067    -11.62009645
  H     17.95482819      9.98217792    -12.17236806
  H     12.37134434     10.80888831    -10.03797854
  O     19.26260618      8.59501483    -12.10960371
  H     14.91413136      3.52154635    -15.91153547
  H     12.96582556     10.13384448    -11.29587681
  O     12.43560224      7.33639185     -9.77428433
  H     15.65476611      4.69623427    -16.56103129
  H     14.51318960      3.58847725    -11.03411658
  O     14.56331007      6.03444440     -8.58574001
  H     16.57482551      7.89281382     -7.06066878
  H     14.65600271      2.68986065     -9.78728973
  O     12.88853048      7.78119554    -14.63552601
  H     15.79856851      7.15964400     -8.18010091
  H     18.13023622      7.73892626    -13.37339244
  O     12.94951998     10.10579757    -10.32204568
  H     11.49606867      6.09989563    -16.96633901
  H     16.66136913      7.42961317    -13.04798069
  O     14.80687344      3.57570011    -10.10849358
  H     12.36795140      6.55144007    -15.77377504
  H     17.15320386      4.75808536    -11.84200826
  O     17.33198488      7.34831497    -13.74623008
  H     15.21840127      7.08909199    -16.76342712
  H     16.44065955      4.44756093    -10.50173192
  O     17.11275768      5.00737182    -10.90774487
  H     14.04924777      6.15453875    -17.11516830
  H     17.05451529      5.53931747    -13.78711963
  O     16.79615631      4.61686584    -13.65487483
  H     15.49586413      9.38286339    -15.19500307
  H     16.58082386      4.26728429    -14.53284845
          69
 Energy    -249.76900329824758     
  O      1.53681555     -1.20014373      2.87643507
  H      2.38760333     -1.54000125      3.14323757
  H     -2.46951329      3.40583039      0.54104309
  O     -3.32810030     -0.24347237     -3.27079774
  H      1.56989402     -1.10490501      1.90734327
  H     -2.62832101      0.14235013      4.96977285
  O     -0.92804885     -2.28350561      3.93686079
  H     -2.47832479      0.17473184     -3.08417319
  H     -1.32754608      0.69405642      5.56151708
  O     -4.64265553      0.02108949     -0.84708900
  H     -3.16804201     -1.19353770     -3.20808080
  H     -0.33605946      3.66867301      1.01878565
  O     -2.83093444     -3.00112912     -2.56328617
  H     -1.19886053     -1.56638614      4.53218509
  H      0.65701452      2.70240564      1.70133869
  O     -0.52003156     -1.97612606     -1.25870353
  H     -0.05201179     -2.02788444      3.62239778
  H     -3.47412547      1.37890841     -0.52032989
  O     -2.69510243      3.15451290      3.83917897
  H     -4.43345449     -0.86880762     -0.53282445
  H     -2.04210465      1.61769866     -1.06514863
  O     -3.86894228     -2.35939500      3.79152806
  H     -4.36149502      0.02958622     -1.77413132
  H     -1.98135858      1.07589213      0.97560049
  O      0.58500833      1.44849937      3.01101673
  H     -3.09195120     -3.81210119     -2.99232055
  H     -0.93880964      0.90076736      2.13776811
  O     -0.86826565      0.69412818     -2.08046938
  H     -3.32061561     -2.95800380     -1.72423318
  H     -3.18517120     -2.51831848      0.44331105
  O     -3.84318753      0.52843784      3.50019985
  H     -0.84945625     -2.10383607     -0.35518142
  H     -4.69946334     -2.84130190      0.53230955
  O     -2.21798483      4.10227948      1.17146427
  H     -1.15197849     -2.42353999     -1.83306439
  H      1.04012654     -1.31102718     -0.39512190
  O     -1.82003495     -0.12348191      5.42521212
  H     -3.27059631      2.38532254      3.75029225
  H      1.68238290      0.07417668     -0.21010225
  O      0.53362706      3.26600100      0.92360185
  H     -2.56212554      3.50508702      2.94986703
  H     -1.33157264      2.78021883      4.85472431
  O     -2.69960665      1.95252802     -0.43843221
  H     -3.91149343     -1.39464909      3.78759442
  H     -0.37369031      3.06906298      6.03804883
  O     -1.73386329      0.53234717      1.73326801
  H     -2.94020889     -2.57010859      3.93170251
  H      1.18694997      2.36313054     -0.39654496
  O     -3.98855143     -2.63435495     -0.08651458
  H      0.98054755      0.57286286      3.10280820
  H      2.26460456      2.22440073     -1.49838355
  O      1.62342816     -0.80446342      0.18350212
  H      0.30553476      1.75605930      3.88328916
  H     -1.41485221     -2.43860408      2.13220545
  O     -0.56394957      2.43840597      5.34944050
  H     -0.02680099      1.12765189     -1.89074359
  H     -1.67273797     -1.16193854      1.33983601
  O      1.52692240      1.77509576     -1.09463572
  H     -0.76061024     -0.22560805     -1.79883827
  H     -6.49707495     -3.46366244      2.35090304
  O     -1.63321657     -2.12731957      1.24703804
  H     -4.63731761      0.45193824      2.95053789
  H     -5.13810225     -2.79921136      2.67947944
  O     -5.82510767     -2.88955776      1.99394365
  H     -3.08352501      0.49991085      2.89634552
  H     -5.60775531      0.15937284      0.80904057
  O     -5.86782391      0.00431988      1.72604062
  H     -2.59602563      4.91554052      0.84484319
  H     -6.03223777     -0.94382824      1.79541116
          69
 Energy    -249.76865734589870     
  O     13.76809512     13.82610332    -11.53649297
  H     13.20376549     13.22801738    -11.02613989
  H     10.83254239      8.86669659    -14.39676152
  O     17.65899090     10.14479940    -12.54951815
  H     14.57381512     13.93210539    -11.01828781
  H     15.92990086     10.44511287    -12.59991514
  O     12.51815582      9.47990651    -11.65379643
  H     17.98199563      9.86629704    -13.41707988
  H     14.75520094     11.36812257    -13.06985327
  O     15.48279583      6.32163760    -12.48629645
  H     17.66047581      9.35683763    -11.99057846
  H     12.70627852     10.46649040    -15.36961061
  O     13.86772756      7.41595446    -10.40406801
  H     13.32064413      9.93357994    -11.94725367
  H     13.59554638     11.72747240    -15.25058459
  O     17.22940988      5.58039589    -14.50883599
  H     12.83405921      8.70115271    -11.17110022
  H     15.85150481      9.52079956     -9.15614722
  O     14.35537274     12.83861040    -13.99279944
  H     16.03689031      5.84640967    -13.12130205
  H     16.16863451      8.55654517     -7.98908908
  O     16.29375034      7.86200981    -16.04685057
  H     14.99399232      6.96833341    -13.01622594
  H     18.82964782      7.19528973    -12.37273343
  O     17.50893578      7.70812320    -11.19944006
  H     14.33370093      6.84902421    -11.03175810
  H     20.19863175      6.61945631    -12.79415503
  O     15.35836561     10.13797207    -17.44763976
  H     14.54774806      7.75552138     -9.81144563
  H     17.19552214     12.85629367    -15.26442220
  O     17.53332633     11.39970539    -16.11818739
  H     16.96012848      6.19656482    -15.20155612
  H     17.22923312     14.40396727    -15.25649402
  O     11.72635895      9.17218514    -14.26566466
  H     18.05285419      5.93143711    -14.14960636
  H     17.54661489     13.24931302    -13.01666615
  O     14.96910371     10.56344334    -12.57635108
  H     15.19897798     13.21480008    -14.27292554
  H     17.87293108     11.97379313    -12.21305121
  O     13.34060429     11.01042719    -15.84814785
  H     14.07449413     13.29738163    -13.18475926
  H     16.84927017     13.48676947    -10.78860741
  O     16.09506515      8.60456873     -8.93898639
  H     16.03583018      8.51623611    -16.70762243
  H     16.68387503     14.40430590     -9.55111035
  O     19.38397792      6.97716926    -13.13925935
  H     15.60708988      7.92452198    -15.36570856
  H     17.79244212      8.59035504    -15.34196055
  O     16.94682147     13.64636321    -14.75107191
  H     17.16581377      7.96385544    -10.33460269
  H     19.01679615      8.35332870    -14.42494349
  O     17.76981667     12.93076927    -12.13326531
  H     16.79953077      7.21053269    -11.63519418
  H     13.41057984     11.56271497     -9.64769749
  O     16.25649456     13.71267982    -10.04818774
  H     15.09940923     10.29887587    -18.35124423
  H     12.26065445     11.02687454    -10.49621009
  O     18.54995571      9.03148998    -14.92751723
  H     14.61572565     10.43045545    -16.88923333
  H     15.16798641     10.95417193    -10.72014603
  O     12.55005173     11.80752163    -10.00819188
  H     16.81107222     11.00839087    -16.62593431
  H     15.70566822     11.99005697     -9.71474682
  O     15.35089772     11.09345344     -9.78151949
  H     18.05737658     10.66294113    -15.78241326
  H     14.64453389      9.07025257    -13.64307581
  O     14.37810819      8.26448259    -14.10569680
  H     11.84508594      9.28697111    -13.30717608
  H     13.43993180      8.37501123    -14.29909801
          69
 Energy    -249.76858128913460     
  O     15.44000306     10.12572593    -16.54451944
  H     14.59636361     10.09666276    -16.07904891
  H     19.06278312     10.67555978    -16.88228721
  O     16.05607800      5.24757773    -13.74874039
  H     15.34961724      9.61969907    -17.36312923
  H     16.54828459      8.45800105    -14.04299758
  O     17.37384471     13.42627138    -11.21902811
  H     15.21424280      5.69968785    -13.85972887
  H     16.54838913      9.11820215    -15.45236793
  O     19.78928573      8.76828574    -14.70066745
  H     16.51941685      5.35490219    -14.58889419
  H     13.69404977     10.46250907    -14.10753280
  O     14.87160736      6.42750204    -16.93087447
  H     16.57983656     13.05855594    -10.81274548
  H     12.34916698     10.41743872    -14.86734149
  O     17.13720098     10.21550060     -9.38110334
  H     18.11755320     12.99316105    -10.77950208
  H     17.97716911      7.10879349    -11.26079526
  O     15.44946215      8.41057598    -12.54257755
  H     20.01569272      9.19508714    -15.53491414
  H     16.84278719      8.11909661    -11.52322349
  O     17.44176509     11.82940367    -13.46415873
  H     18.82014137      8.69967333    -14.71232461
  H     13.48643481      8.05257773    -14.59227843
  O     19.75217249      5.93183550    -14.42855629
  H     14.93703344      7.07707180    -17.64087187
  H     14.16904747      6.89647321    -15.34435225
  O     17.56021609      6.11751319    -16.06025733
  H     15.77367994      6.11273224    -16.79268344
  H     19.48900694     11.12929160    -10.95587334
  O     18.18757825      5.41991788    -12.03162089
  H     17.31143615      9.36344555     -9.80101279
  H     20.32346729     11.83850808     -9.86444367
  O     19.74247342     10.05475649    -17.20348696
  H     17.94969267     10.72796032     -9.47884778
  H     19.63252938      9.59435527    -13.08957295
  O     17.05276902      8.54675859    -14.85950537
  H     14.84262144      7.90285824    -13.09880149
  H     18.74285840      9.26222382    -11.85723235
  O     13.20215052      9.99431809    -14.80351088
  H     15.17354212      9.33612548    -12.56994590
  H     15.80102550     11.22474136     -9.87279497
  O     17.69369609      8.01026887    -11.06912636
  H     17.43902482     12.53716424    -12.80307130
  H     14.57785737     12.07800851     -9.46386179
  O     13.88858736      7.18576232    -14.46155458
  H     18.03668185     11.14829544    -13.12559738
  H     18.69411916      8.63332868    -17.90680716
  O     19.43274251     11.71683259    -10.18254312
  H     19.36529481      5.76963242    -13.55996423
  H     18.09359799      7.23926817    -17.58919189
  O     19.24496620      9.96950245    -12.28805948
  H     19.95220958      6.87701637    -14.46500119
  H     14.78384083     11.40500186    -11.95429991
  O     15.13608526     11.85516940    -10.20402193
  H     18.39138926      5.87796307    -15.62414287
  H     15.69830486     11.35950503    -13.20356089
  O     18.08127417      7.96065228    -18.22878897
  H     17.30208699      6.97038136    -15.67161613
  H     16.91329647     11.26343403    -16.47519778
  O     14.82615404     11.10038644    -12.87049450
  H     18.30226338      4.58709909    -11.57997301
  H     17.72451297     11.83300836    -15.30356357
  O     17.77095326     11.64798782    -16.25103935
  H     17.38145781      5.33313632    -12.57015227
  H     16.44832544      8.31725759    -18.69010447
  O     15.49666470      8.49627952    -18.80604747
  H     20.35469347     10.56411044    -17.72752092
  H     15.33811562      8.55802072    -19.74371455
          69
 Energy    -249.76787940401249     
  O     17.65039563     12.32415618    -17.23221083
  H     16.74197472     12.09767313    -16.96112294
  H     21.21717559      9.72428755    -14.31761798
  O     15.61381233      5.73683291    -14.76620081
  H     17.58994404     13.09218943    -17.79370074
  H     18.37358377      9.90044880    -14.75148563
  O     16.14872746     12.76157074    -10.50164900
  H     15.36024620      6.65216701    -14.59322005
  H     18.09016063      9.01907503    -15.97170282
  O     20.68558458      8.91647374    -12.86239502
  H     15.90026776      5.71311361    -15.68772908
  H     14.96507734     11.41037748    -15.56095465
  O     15.03229150      9.39474018     -9.88432228
  H     16.63307266     12.60592037    -11.32499651
  H     15.07668530     10.54520639    -16.84377104
  O     15.45724794      8.53898044    -14.29361584
  H     15.24344508     12.48015462    -10.68033774
  H     16.68075270      6.84370066    -11.86718029
  O     17.41399376     11.71969481    -12.77652543
  H     20.02905680      9.22943662    -12.22830449
  H     15.98792559      8.03358192    -12.56412184
  O     19.28204656      6.74827480    -13.93046402
  H     20.37631077      8.04404426    -13.14346859
  H     15.69068561      7.68669094    -17.39315090
  O     19.12073001      6.21236082    -16.70201135
  H     15.42355250      8.71449308    -10.44755594
  H     15.26755662      8.55978267    -16.20731654
  O     16.53747579      6.02290884    -17.44255532
  H     15.77212552      9.80547724     -9.41995151
  H     17.61960666     11.17508909     -8.10128611
  O     17.22612942      5.24713112    -12.65300938
  H     16.38745885      8.68932421    -14.53593867
  H     16.93264790     11.61555531     -9.41703687
  O     21.42065377     10.17610689    -15.15670697
  H     15.09153400      9.40334058    -14.05893126
  H     18.21120863      9.99849772    -10.37642921
  O     18.02789993      9.03791916    -15.00811723
  H     18.04515708     11.89590605    -13.48705051
  H     17.79431239      8.91814204    -11.40484889
  O     15.19982826     11.43624583    -16.49806233
  H     17.78238950     10.99313677    -12.25447506
  H     12.80959145     11.49130106    -10.79113583
  O     16.39507028      7.75603896    -11.73371886
  H     18.81404412      7.52392074    -14.27745246
  H     14.09595684     10.63698779    -10.69101222
  O     15.40051890      8.58118863    -17.16338107
  H     18.64137807      6.21432807    -13.44664571
  H     19.71698884      8.93430258    -17.71136471
  O     17.32035659     10.85499806     -8.94777167
  H     19.27418745      6.19034411    -15.75001627
  H     20.85062126      9.04238126    -16.66766122
  O     18.43228233      9.62653150    -11.23997248
  H     19.69576509      6.91589261    -17.03568292
  H     15.76727422     11.37308642    -13.42009291
  O     13.68459980     11.38821015    -11.15536685
  H     16.46884560      5.38724023    -18.14990753
  H     14.31252956     11.26839222    -12.90751243
  O     20.52462255      8.50391739    -17.39758508
  H     17.48380436      6.08749197    -17.21639144
  H     18.71276346     11.97586468    -15.74538439
  O     14.86463897     11.14077496    -13.68850816
  H     17.23014408      4.33916812    -12.36327197
  H     19.96853318     11.30792994    -15.07818672
  O     19.09738107     11.68946814    -14.90708615
  H     16.63060581      5.29994514    -13.42281166
  H     17.06023016      9.25497465    -17.75703295
  O     17.96911821      9.57783631    -17.80645410
  H     22.35473347     10.36872786    -15.14246303
  H     17.92191113     10.54011475    -17.73848137
          69
 Energy    -249.76706775492562     
  O     14.70409406      5.37397662     -9.17505220
  H     15.51643896      5.18938248     -9.66740294
  H     16.78595825      9.53212035    -13.15237283
  O     14.60970451      7.52507313    -16.58347453
  H     13.97795346      5.11399804     -9.75238173
  H     13.78617829      8.06102688    -11.58686267
  O     17.49260057      8.79749140    -14.66276021
  H     13.87411649      7.80110035    -16.01990114
  H     15.02965095      8.56003867    -12.36962048
  O     14.62487330     11.88146665    -12.77210964
  H     15.05503914      8.33842652    -16.84735175
  H     13.55911346      4.75388107    -11.90502673
  O     10.62350465      9.01390735    -12.96650296
  H     17.11483081      7.90787799    -14.73696957
  H     12.56219740      3.68313162    -11.41565664
  O     19.48691248      4.68842612    -11.85291915
  H     18.43331762      8.69317684    -14.46906208
  H     20.05080907      8.03306799    -13.00172633
  O     17.29587118      8.08938846    -10.28445586
  H     14.41689302     11.63572273    -13.69254104
  H     20.98467668      8.58048630    -14.10747617
  O     12.36525555     10.75922544    -11.36773748
  H     14.70279928     12.83145633    -12.74829739
  H     15.75014676      5.23772159    -12.14030385
  O     19.11247456      5.54812601    -14.39625038
  H     10.74697078      8.22789823    -12.40446632
  H     14.73540889      6.27233226    -12.68404770
  O     14.07018684     11.00268552    -15.24129560
  H      9.68295776      9.15916755    -13.02594019
  H     16.79039826     10.19642347    -17.49475476
  O     12.81241346      8.57166788    -14.65534615
  H     20.07597653      3.93970666    -11.82705627
  H     16.72129374      9.60362384    -16.06800012
  O     16.38150104      9.75563058    -12.30221167
  H     19.35136824      4.91020167    -12.79209724
  H     15.80573542      6.55987921    -15.65989728
  O     14.29311376      7.93659952    -12.39943253
  H     17.00936486      8.73686458    -10.94457125
  H     15.95686716      5.81890618    -14.30308464
  O     12.83326027      4.58852886    -11.28155794
  H     16.66172308      8.13019140     -9.55811465
  H     19.05514099      7.77183985    -10.87665599
  O     20.11335222      8.22563104    -13.95500719
  H     13.08274645     11.15671242    -11.87467791
  H     19.82457538      6.53286693    -11.38852233
  O     15.03128274      5.35133965    -12.77873272
  H     11.78270747     10.31584651    -11.99673165
  H     11.59458806      6.08258697    -11.35084792
  O     16.18483206      9.95213085    -16.79969192
  H     19.53143377      6.41683411    -14.40376810
  H     11.67868975      7.44725592    -10.65704834
  O     16.45489087      6.23973257    -15.01547915
  H     18.21077026      5.68144582    -14.71907945
  H     17.83304566      4.99916253    -11.10615745
  O     19.84461120      7.49764930    -11.36136821
  H     13.55253369     10.19672362    -15.10441689
  H     17.10085848      6.30001647    -10.67947905
  O     11.14552282      6.93175548    -11.28131339
  H     14.77425551     10.76546616    -15.85633983
  H     15.27822582      7.95600519     -7.40172064
  O     16.98080290      5.34951360    -10.82096541
  H     11.93804439      8.71863004    -14.27558712
  H     14.99159150      6.98757924     -8.57517819
  O     15.22481588      7.90816921     -8.35271809
  H     13.36645830      8.31262574    -13.90396853
  H     13.71752739      8.50266382     -9.35431375
  O     12.98436964      8.50529721     -9.97736448
  H     15.85637741     10.55840576    -12.41624241
  H     12.81767815      9.40947965    -10.28753976
          69
 Ord_Energy   -249.766632    
 O   -1.97816062      -2.80471849       3.38354182    
 H   -1.42915237      -2.27397776       2.79457831    
 H   -2.27543211      -3.57341552       2.87984824    
 O   -9.55687618       1.97998250     -0.273822546    
 H   -9.38125515       2.55016208      0.486227840    
 H   -10.1768513       1.31061745       3.97803299E-02
 O   -4.76025486      -1.46830118       1.15810990    
 H   -4.55736160      -1.41386640       2.10191441    
 H   -5.40988970      -2.16655540       1.02079129    
 O   -11.0385590     -0.149486586       1.01620007    
 H   -10.7981777      0.255207986       1.86961412    
 H   -11.9657040     -0.364612758       1.06307960    
 O   -5.65692234      -4.35094357       3.02303624    
 H   -4.76927614      -4.61937571       2.75997591    
 H   -6.12643862      -4.16201353       2.19762564    
 O   -8.52875042      -1.37504315      0.716285884    
 H   -9.45316887      -1.10441506      0.774921775    
 H   -8.09241962     -0.744119942      0.124975570    
 O   -3.07751584      -5.00699949       1.96395350    
 H   -3.16260624      -4.77860451       1.02224958    
 H   -2.71803713      -5.89017153       1.99737740    
 O   -8.91396427       3.36198568       2.13092995    
 H   -8.02976418       2.96654892       2.24086213    
 H   -8.84538841       4.27116537       2.40824652    
 O   -5.75582933      -3.74255896      -1.96755004    
 H   -6.10907173      -4.20455599      -2.72312260    
 H   -5.73592138      -2.79691267      -2.20126414    
 O   -2.66349363      0.917145967       2.42289019    
 H   -3.17115808      0.377131075       3.04767108    
 H   -3.29638410       1.22258532       1.76669383    
 O   -6.57317448       2.04801202       2.42711878    
 H   -5.90524435       1.88019419       1.75415301    
 H   -6.83993626       1.18384469       2.77224493    
 O   -10.0840559       1.02076244       3.26845074    
 H   -9.27689552      0.517169178       3.44220948    
 H   -9.78910732       1.89836872       2.99295020    
 O   -5.71649265      -1.09496713      -2.50385904    
 H   -6.39090300     -0.554194987      -2.07011104    
 H   -4.90481043     -0.577721477      -2.46173882    
 O   -7.65199757     -0.420805603       3.22838187    
 H   -7.90390396     -0.829084814       2.38888264    
 H   -7.25727892      -1.10440707       3.78163958    
 O   -7.32833862      0.535143793     -0.907435477    
 H   -6.57485342      0.922353029     -0.449084222    
 H   -8.08452702       1.13091350     -0.791051209    
 O  -0.707198799     -0.828707516       1.68941116    
 H   0.164651424     -0.484317988       1.86252737    
 H   -1.34129417     -0.142788351       1.96781337    
 O   -2.44391274      -1.58599854     -0.347454995    
 H   -3.25561190      -1.61024332      0.185433239    
 H   -1.72415721      -1.37755084      0.261770844    
 O   -3.34687471      0.446844161      -1.94126511    
 H   -2.69513130      0.795317888      -2.54381847    
 H   -2.92412972     -0.282145172      -1.45489454    
 O   -4.81400585       1.15011740      0.379990011    
 H   -4.87098694      0.222976103      0.668893814    
 H   -4.30955648       1.13912809     -0.442583501    
 O   -4.03082705      -1.07265842       3.82278752    
 H   -4.77087784      -1.45052028       4.30971718    
 H   -3.31313014      -1.72742927       3.81412482    
 O   -3.27293825      -4.25259304     -0.646039724    
 H   -4.09585381      -4.16537237      -1.14163315    
 H   -2.84521842      -3.38721848     -0.689646363    
 O   -6.33065653      -2.39962888       4.75612688    
 H   -6.58000946      -2.76321769       5.60119772    
 H   -6.10197735      -3.15194893       4.17989111    
 O   -6.71946955      -3.42893720      0.647366047    
 H   -7.46624470      -2.81285882      0.635157764    
 H   -6.47989035      -3.62650704     -0.266459733    
          69
 Energy    -249.76474528590478     
  O     13.90317581      1.88533506     -8.37675931
  H     12.98720593      1.88061834     -8.68755138
  H      8.20842491      2.80674151    -13.41416710
  O     11.41655172      2.09817808     -9.66902379
  H     14.10094294      2.79235660     -8.11174126
  H      9.79677556      6.05088780    -12.64725697
  O     11.48819804      4.71263535    -15.41824965
  H     11.12949024      3.00109261     -9.47759619
  H      9.75385324      7.17442872    -13.68666576
  O     16.21632196      4.08989424    -10.27736489
  H     10.66891581      1.66256427    -10.10340164
  H     10.26414565      3.94449396    -12.80291692
  O     10.59447245      4.74092654     -9.50620956
  H     12.22986683      4.50443318    -14.83204570
  H     11.63488418      4.57593729    -12.53810740
  O      9.41605032      1.06616143    -11.27718444
  H     11.35484554      5.66381151    -15.33175040
  H     14.93917207      5.00821433     -7.08092158
  O     13.09887020      1.75486268    -11.88394387
  H     16.07942037      3.15135573    -10.45080384
  H     14.04346873      5.21962439     -8.32071003
  O     13.25590761      4.16734274    -13.29764533
  H     15.82635159      4.25044113     -9.40851727
  H     11.50455502     -0.11931955    -13.98140528
  O     12.93398205      7.86035160    -12.73680733
  H     10.59383041      4.67233327    -10.47538313
  H     11.93895148      0.99096376    -12.99737434
  O      7.25265275      5.32481450    -11.62132046
  H      9.74632275      5.12274770     -9.25216322
  H     12.67518785      7.13214731     -9.46015768
  O     11.22209194      7.52910444    -14.82994300
  H      8.69277450      1.60025142    -11.62459317
  H     12.08486000      5.70339315     -9.29990613
  O      7.50855451      2.71478091    -12.74456642
  H      9.91850156      0.77537974    -12.04791284
  H     14.95845916      1.43283073     -9.67686414
  O      9.26639320      6.80751976    -12.94051634
  H     13.96884239      1.53001554    -11.53140192
  H     16.06922575      0.57247992    -10.33015011
  O     10.72414585      4.55612390    -12.21561800
  H     12.52743527      1.93690672    -11.12303890
  H     10.26272734      3.55469573    -14.82118197
  O     14.66124414      4.60063228     -7.89762271
  H     13.79686773      4.76607572    -12.76456165
  H     10.24739209      2.13239227    -14.17174027
  O     11.19438721      0.66013005    -13.52760354
  H     13.28697501      3.30262490    -12.86743703
  H     15.26666875      5.30129559    -11.23320204
  O     12.90686235      6.21473918     -9.26823605
  H     12.62896871      8.25396748    -11.91089060
  H     13.95447299      5.98038179    -10.79842148
  O     15.47653266      1.30099084    -10.49312822
  H     13.63130240      7.24298076    -12.48282453
  H      7.39615318      5.98665039     -8.50925705
  O      9.72601976      2.93501061    -14.30298571
  H      7.29501887      4.42941409    -11.97770623
  H      7.72223504      5.71867329     -9.99877670
  O     14.54555691      5.86172022    -11.55415656
  H      7.77193844      5.88374673    -12.21479442
  H     12.15901452      9.63570626     -9.82385957
  O      8.10704166      5.98647373     -9.14390071
  H     11.38453831      8.22236401    -15.46414078
  H     11.11697393      8.56261908    -10.22615836
  O     12.07155464      8.73989277    -10.13767716
  H     11.86517025      7.65628007    -14.10914532
  H      9.36480239      7.79284908    -11.37607199
  O      9.47960609      8.12636441    -10.47524368
  H      6.76281504      2.31139365    -13.18330290
  H      8.99278173      7.51824619     -9.90781311
          69
 Energy    -249.76295960157199     
  O     17.94963608      8.78730664    -10.57374452
  H     17.19445521      9.36639051    -10.74028427
  H     18.99700431      9.07794434     -9.11875311
  O     13.62650370      9.02530306     -9.99175896
  H     17.60769238      7.92905286    -10.29454637
  H     19.77307049     10.26401406    -12.48720232
  O     19.59402451      3.27945555    -11.77820429
  H     12.91753602      9.44272533     -9.50990896
  H     18.99293658      9.08510835    -11.90076785
  O     21.18400221      7.22706283    -11.85998444
  H     14.27364098      8.71780986     -9.33009757
  H     20.64480810      4.36816274    -12.99166425
  O     15.54138671      8.30171336     -8.26377541
  H     19.62903928      2.33494713    -11.65518478
  H     21.14822880      5.82577474    -13.04085502
  O     18.88692701      5.58534905    -15.26894083
  H     18.79476624      3.46628102    -12.30312164
  H     17.86417876      4.43811676    -14.09564727
  O     22.96734737      8.10878840     -9.87242666
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  H     16.89266437      4.64248849    -12.92079533
  O     21.13683741      7.01381781     -8.19849165
  H     20.71405380      8.00196144    -12.19592182
  H     15.00558972     10.10034601    -10.78617203
  O     17.05968000      6.34325211     -9.65485761
  H     16.09239665      7.56845378     -8.56823172
  H     15.67985166     10.21298235    -12.17629614
  O     17.11854303     10.62719122     -7.51511073
  H     16.12721217      9.01145957     -7.97436978
  H     14.70475883      8.75489822    -13.45268270
  O     17.58615677     12.01819449     -9.82661385
  H     19.68010261      5.41559433    -14.72877365
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  O     19.42918247      9.24043360     -8.26655490
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  H     19.67486780      4.70078898    -10.58636179
          69
 Energy    -249.76286868132337     
  O     10.92756227      9.07654048    -14.12939740
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  H     13.65953597      8.17650116    -15.19493791
          69
 Energy    -249.76286710259376     
  O     -1.79284562      8.73038328    -10.47873873
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  H     -4.77561248      6.18127671     -7.39051837
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  H     -4.96686839      7.27108029    -12.25924144
          69
 Energy    -249.76284932060059     
  O     -4.58338426     -7.23627711     -1.26291625
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  H     -9.80072081     -4.27329176     -5.33775632
  O     -4.80351530     -0.95167043      0.91339419
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  H     -6.33939096     -6.18114145     -3.38826050
  O    -11.14874706     -3.68326853     -4.10822342
  H     -4.86442656     -0.72571038     -0.02329396
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  H     -7.06930419     -3.22844082      0.89270989
  O     -5.11759636     -0.67869978     -4.51227993
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  H     -6.25980262     -3.78424866     -0.31922357
  O     -7.37528049     -1.53464032      1.54651871
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  O     -5.57678494     -0.68912329     -1.84211235
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  H     -2.44895615     -3.08435594     -0.61292091
  H     -8.68890978     -3.61161127     -2.22765506
  O     -2.95497611     -4.89145145     -5.11791246
  H     -6.06567520     -4.12299886     -4.54385821
  H     -9.70491093     -2.92478816     -3.16650761
  O     -8.18989347     -0.59333187     -1.05886003
  H     -4.69488719     -4.89255349     -4.59181338
  H     -2.60818527     -2.44860246     -3.30318080
  O     -8.86512032     -2.79119684     -2.70899897
  H     -4.41307554     -6.01721680      0.25666500
  H     -3.52281734     -1.75399452     -4.35250110
  O     -2.77245977     -2.35007130     -4.25173272
  H     -5.32260792     -5.00372441      0.96624106
  H     -6.47581468     -1.96303826     -4.85359845
  O     -7.09464788     -2.70238101     -4.87757127
  H     -8.32537191     -3.98065399     -5.64946209
  H     -7.66492311     -2.63121341     -4.09686436
          69
 Energy    -249.76266835254683     
  O     13.06056061      7.98869597    -15.25238105
  H     12.84440813      8.75609352    -14.70982725
  H     11.22464537      8.14733171    -10.24262227
  O     15.99293761      4.90896343    -10.72208381
  H     14.01835483      7.87750016    -15.22447658
  H     12.50054513      4.68293761    -14.64561770
  O     12.14156433      2.58917223    -12.19105498
  H     16.93967438      4.72042371    -10.76435768
  H     12.74544074      3.60263723    -13.52054616
  O     13.89557415      9.26160875     -8.77813295
  H     15.90249780      5.80378955    -10.36438297
  H     13.01234218      5.62462709    -12.76666860
  O     18.51819864      7.83468285    -13.92579537
  H     12.76284762      2.69742883    -11.46061486
  H     12.67290502      5.91800945    -11.27125085
  O     13.78662653     10.49685126    -11.42469093
  H     11.30261678      2.96126756    -11.88968603
  H     12.70458081     10.40407050    -12.79824416
  O     15.77681256      4.88436695    -13.60348381
  H     13.06312269      8.78809203     -8.95632375
  H     11.87811696     11.03819233    -13.93968632
  O      9.84824511      4.02177426    -11.29955773
  H     13.78371853      9.69586070     -7.93655140
  H     19.50070870      4.10637543    -10.82780177
  O     18.44103415      7.51147125    -11.20445388
  H     18.47312451      7.80306419    -12.95376077
  H     18.77861869      4.67931829    -12.07191544
  O     13.93702309      3.23448417    -10.00586711
  H     19.20712279      8.45675681    -14.14482488
  H     14.20853637      7.55336862    -12.28065947
  O     11.90256425      5.16352444     -9.76667489
  H     13.76076074     10.29032647    -10.48506003
  H     15.33310257      8.03327842    -13.23441988
  O     11.60447171      7.94072853     -9.37915710
  H     14.29715812      9.76942057    -11.81396393
  H     15.32249650      8.11196179     -9.36719639
  O     13.15893020      4.29605369    -14.05672281
  H     14.90321209      4.55945273    -13.86431631
  H     15.63671889      7.82280217    -10.83867438
  O     12.97232928      6.31806688    -12.09699760
  H     15.77412914      4.94986332    -12.64035454
  H     18.67552484      5.89143936    -13.97523007
  O     12.15420752     10.20116200    -13.57558720
  H      8.97390790      3.71379948    -11.07726517
  H     17.61120278      4.78628196    -13.87260464
  O     18.76729277      4.65168657    -11.09781349
  H      9.74189335      4.67255975    -12.01686768
  H     11.60914612      7.51478814    -12.19313353
  O     14.93001813      8.19506151    -12.37511544
  H     18.67369997      6.58650976    -11.05803100
  H     11.15197893      8.91839226    -12.63613117
  O     15.90082541      7.58877496     -9.93295005
  H     17.66800390      7.67331821    -10.64932375
  H     15.80633426      6.48978345    -14.49996592
  O     18.56092465      4.95291780    -13.78248451
  H     14.28598185      2.58363541     -9.40164105
  H     16.79736145      7.65211554    -14.70331814
  O     10.87331544      8.14445725    -12.13285691
  H     14.68447354      3.79751231    -10.26855545
  H     11.95732288      6.65504616    -15.45015613
  O     15.87515564      7.39675414    -14.83577688
  H     12.57182710      4.47279348     -9.68271151
  H     11.10139061      5.83348962    -16.44156782
  O     11.37530295      5.87741233    -15.52919836
  H     11.13333129      4.76463719    -10.19753784
  H      9.87790195      6.75138545    -12.85250918
  O      9.65567482      5.89311535    -13.23957584
  H     11.66352151      6.97713640     -9.34112678
  H     10.15199455      5.84686991    -14.06531045
          69
 Energy    -249.76265113250480     
  O     -1.87605347      4.82219295      2.17515098
  H     -2.44842054      4.44532255      1.49267380
  H      0.26163613      8.33862620     -0.64206963
  O     -2.20047761      5.98064634     -1.72005435
  H     -1.72653723      4.15072950      2.85189117
  H      0.46855983      1.58041540      1.62225343
  O      4.51810521      5.64266927      1.44374401
  H     -2.10110817      6.81039894     -1.23864495
  H     -0.92311477      1.28740173      1.04789557
  O      2.11958352      7.07242457      1.58025111
  H     -1.30249721      5.67593354     -1.91432927
  H      0.23324225      3.35099136     -2.45277674
  O      0.36860864      5.01602446     -1.97316796
  H      4.33259312      5.31289495      0.54601013
  H     -0.49492070      2.26245214     -3.29677669
  O      1.91145911      2.49301843      0.98366376
  H      5.44037593      5.88369513      1.46195193
  H      2.03500486      7.38094322     -1.94987713
  O      0.54868792      4.90043119      0.74952108
  H      2.99170383      6.66151154      1.63678924
  H      2.72146234      7.27955650     -3.33565524
  O     -1.60443421      8.31896093     -0.23874282
  H      1.79484033      7.23683518      2.47516741
  H      0.32573328      4.04016238      4.36935615
  O     -1.64685134      1.52408963     -0.70685687
  H      0.45012164      4.99193787     -1.00601359
  H      1.82119301      4.32827360      4.07239333
  O     -1.41017154      7.53544327      2.33768561
  H      1.05995599      5.59964751     -2.30633037
  H     -3.24100484      4.80959078     -2.79864782
  O     -3.15192965      3.85600348     -0.07260963
  H      1.45379403      3.34544591      0.90794847
  H     -3.97016738      3.67224026     -2.11416297
  O      1.21801120      8.27765939     -0.74588546
  H      2.28772078      2.30371292      0.11785960
  H     -2.31463173      2.03433016     -5.13943518
  O     -0.42081684      1.28925219      1.87031394
  H      1.07293372      5.64779914      1.06554072
  H     -2.63312383      2.81309774     -3.85260831
  O      0.18541639      2.39571131     -2.62108443
  H     -0.27235833      4.88013360      1.25723857
  H     -1.53183595      2.30388679      4.65992409
  O      2.44833184      6.76359700     -2.58267576
  H     -1.53934078      8.06617520      0.70013646
  H     -0.87423822      2.21295708      3.26211034
  O      1.01761468      4.70247345      4.46392518
  H     -2.10178017      9.13253633     -0.26541663
  H      1.88761919      2.19933968     -2.09457247
  O     -3.68900839      3.97174566     -2.98373367
  H     -0.94841399      1.80394483     -1.31815496
  H      3.27320254      1.51689350     -2.11777198
  O     -2.00634676      2.18564294     -4.24990567
  H     -2.13531968      0.84043713     -1.16190113
  H      1.05301680      7.79504525      4.87563293
  O     -1.11778380      2.82637977      3.97865912
  H     -1.68879933      6.60788123      2.35254325
  H      0.89718384      6.38747943      4.25020492
  O      2.77760596      2.22064452     -1.70576267
  H     -0.67488214      7.59392885      2.95734650
  H      2.86375953      3.13474987      2.45495951
  O      0.87943093      7.34357079      4.05480604
  H     -2.81820195      4.58786161     -0.61281597
  H      3.76536805      4.35572326      2.65808157
  O      3.23643094      3.70826944      3.13817200
  H     -2.62264252      3.07630328     -0.28725406
  H      3.53619784      3.96829845     -1.33401283
  O      3.89002198      4.82402743     -1.06752217
  H      1.56207380      7.96657816      0.10420570
  H      3.46264736      5.48701374     -1.62400215
          69
 Energy    -249.76208588042505     
  O     12.90131446      9.93413203    -11.40567279
  H     12.22550375     10.58180611    -11.63795568
  H     13.97245212     14.21459621     -9.14881704
  O     13.74389279      8.25774480    -14.92020033
  H     13.60736687      9.95185149    -12.06430207
  H     10.91859872     12.13954914     -8.60902640
  O     10.86562630     11.82403186    -11.75005424
  H     13.88442052      7.99275687    -15.82525108
  H      9.57415537     11.44633420     -8.95002168
  O     14.35376912     10.82659692     -9.26713644
  H     13.08983723      8.97961292    -14.93891160
  H     12.77756645      6.54525944     -7.46174529
  O     16.05733305      7.49069932    -11.46058649
  H     10.55051964     11.91381717    -10.83966526
  H     12.36503263      7.99811707     -7.79048031
  O      9.43551567      8.48789181    -11.08171002
  H     11.37764355     12.61892253    -11.94142795
  H     11.74972114     10.26039827     -7.24648171
  O     12.42946019     14.09119159    -12.03990556
  H     13.79136034     10.51333858     -9.99109364
  H     10.53441944      9.45026546     -7.74845409
  O     14.67122688     13.26897167    -10.53364255
  H     14.86700920     10.05709547     -8.98661751
  H     15.66248132      8.02443789     -9.67657604
  O     11.99862104      7.41853102    -10.78795940
  H     15.29429852      7.03660033    -11.86119495
  H     14.60878818      7.90228627     -8.55095240
  O     10.99601012     14.87645389     -9.83779030
  H     16.81742612      6.93290646    -11.60573707
  H     12.30480141     11.26862182    -14.76551324
  O     15.20573981      9.69826276    -13.00887267
  H      9.44122348      8.91744931    -11.94340702
  H     11.17416989     10.24739727    -14.45642312
  O     13.47181341     14.58888907     -8.40457595
  H     10.26302286      7.99058996    -11.01608952
  H      9.94975821     10.82704635    -12.83897196
  O     10.11241443     12.22521566     -9.13918682
  H     11.85459171     14.52247786    -11.39045973
  H      8.75107785     10.53355549    -13.77373661
  O     12.87146211      7.23256928     -8.11629715
  H     13.22015545     13.81355991    -11.55602231
  H      8.08027667      9.42524447     -8.40357218
  O     11.39578491      9.36642634     -7.32124286
  H     15.07675355     13.08266823    -11.39382868
  H      9.07617000      9.26879833     -9.57730518
  O     15.41975630      8.36107302     -8.80488833
  H     14.65764931     12.42590522    -10.05722699
  H     12.71042656     13.53452176    -13.71703276
  O     12.04319262     10.34541558    -14.86353361
  H     12.32279410      8.30981413    -10.99602659
  H     12.91471558     13.72129912    -15.23454212
  O      9.56884933     10.16656455    -13.44553400
  H     12.27093363      7.23619411     -9.88003627
  H     14.67818900     12.68467908    -13.69036979
  O      8.92515591      9.72366616     -8.72937205
  H     10.50345131     14.09173424     -9.56571365
  H     15.45481632     11.51934588    -13.05983894
  O     12.93286061     13.06697357    -14.53938822
  H     11.76670503     14.91441156     -9.25632986
  H     13.69932538      6.98390303    -13.46630893
  O     15.37975443     12.48417963    -13.06174411
  H     15.62437035      9.04015413    -12.43908486
  H     13.11593480      6.66455856    -12.06564078
  O     13.85004943      6.46872056    -12.66457511
  H     14.82517503      9.21575259    -13.75491113
  H     13.15570155     11.52356799     -8.17005690
  O     12.47240603     12.00014298     -7.67160290
  H     14.04585297     15.22479419     -7.98442869
  H     12.75746975     12.92048538     -7.67350124
          69
 Energy    -249.76185018296968     
  O     -2.45448099      4.42352118      3.91892521
  H     -2.25975211      3.81723199      4.65695200
  H     -0.69229998      1.06495582      3.48130906
  O     -2.78732959      2.57557822      1.77667002
  H     -2.97482427      5.13632462      4.27951159
  H     -2.86974287     -0.49467187      1.02862607
  O     -1.64712868      2.74542614      5.89876180
  H     -1.95239666      2.14604738      2.02003233
  H     -3.42907524      0.79860189      1.67444262
  O      1.72507573     -3.55978232      1.97808604
  H     -2.89277257      3.27947266      2.42616509
  H     -0.41689846     -0.35721643      4.93171500
  O      0.61430758      0.42149474      0.45041469
  H     -1.59311140      1.80723375      5.67022326
  H     -1.95845921     -0.44586979      4.69085723
  O     -1.58527132     -1.11204034     -0.17078939
  H     -0.74419178      3.01068564      6.11400817
  H      1.21896465     -3.87214767      3.61733142
  O     -2.71346932      0.60621337     -2.04795747
  H      0.95816599     -3.57965643      1.39295000
  H      1.22918441     -4.66912111      4.94593727
  O      0.96921497      2.87650022     -0.86592213
  H      2.08293484     -2.66224445      1.93579188
  H     -1.06940282     -4.51986728      0.21515577
  O      2.39764129     -0.83374478      2.11236251
  H      0.82603805      1.16265148     -0.12859748
  H     -1.19671500     -3.71855517      1.53294664
  O     -3.29349590     -1.50474749      4.01168843
  H      0.26074928      0.81101573      1.26811889
  H      1.59974029      2.69948708      5.84507787
  O     -1.69031781     -3.69419399      3.19233839
  H     -0.78720432     -0.58906561     -0.00266417
  H      1.58402041      3.92971083      6.78308944
  O     -0.39108232      1.54494542      2.69914026
  H     -1.35777339     -2.02921176      0.02152412
  H      3.29206985      2.20582467      2.32543008
  O     -3.48758467     -0.16455050      1.69437453
  H     -2.34413720     -0.08057034     -1.47116942
  H      4.72833867      1.74621688      2.66718854
  O     -1.24151512      0.14909791      4.94452265
  H     -3.62027569      0.35190408     -2.20459456
  H      1.09823308     -2.08384519      4.77075011
  O      0.84223450     -3.91135071      4.51636126
  H     -0.00187764      2.96514436     -0.85766100
  H      1.54711882     -1.01368336      3.75016955
  O     -0.82767680     -3.69596585      0.63091773
  H      1.25835438      3.13392621     -1.73699268
  H      2.97618075      1.41788226      4.47068856
  O      1.09967556      3.50168157      6.08269815
  H      3.00981194     -0.11929672      2.32631688
  H      2.04923206      0.44426659      5.22538447
  O      3.80965123      1.51723800      2.78055080
  H      1.80021728     -0.47296546      1.44068522
  H     -0.57247990      4.41624716      3.50549580
  O      1.18827998     -1.13213622      4.64154205
  H     -3.41229920     -1.02893802      3.16855967
  H      0.66402983      4.04775198      4.36507534
  O      2.45313505      1.31933139      5.27612785
  H     -4.16124762     -1.61703416      4.39051387
  H     -2.17671784      2.91601819      0.02826765
  O      0.35753687      4.16289604      3.45486212
  H     -0.92972743     -3.77053643      3.78091051
  H     -2.08977083      2.17627361     -1.32436430
  O     -1.71960895      2.91541761     -0.82145653
  H     -2.24077169     -2.97562560      3.52679542
  H      1.87782819      3.31479427      0.73163533
  O      2.31974475      3.43430761      1.58116518
  H     -0.02639436      2.39045161      2.98829914
  H      1.67589709      3.84771109      2.17117372
          69
 Energy    -249.76183112831799     
  O     10.90102270      9.66959054    -14.93994880
  H     10.77965422     10.37356116    -14.29329739
  H     17.32142020      7.20416058    -14.82437429
  O     15.83551252      7.83468547    -11.40955912
  H     11.15520899      8.87377069    -14.45535449
  H     19.00708168      9.83109543    -15.07237815
  O     16.46506872     12.05983396    -14.51123893
  H     16.31474257      8.62071882    -11.12232636
  H     19.12054677      8.65675628    -16.06266353
  O     11.74061449     10.11442331    -17.45780453
  H     16.23526697      7.57683497    -12.24896603
  H     16.53008001     10.90745189    -10.79535565
  O     14.10680158     10.65932016    -14.10693708
  H     17.08493771     11.39532897    -14.17845366
  H     17.75853985     10.39586898    -10.00885898
  O     15.00272351     13.83404528    -12.90280108
  H     16.31846907     11.87981921    -15.44875370
  H     16.59696075     11.33379258    -17.58867800
  O     13.06508743      7.97500286    -11.41571783
  H     11.39395887      9.90266631    -16.57096241
  H     15.30289236     10.56402372    -17.24105260
  O     12.36590370     13.82816839    -14.31240885
  H     11.01136932     10.03647257    -18.06660269
  H      9.85150336     12.35199843    -12.87363302
  O     16.91077350      8.18100023    -18.36249445
  H     13.62926744     11.08558517    -14.82728561
  H     11.22515992     12.64730952    -13.51436338
  O     12.78301971     10.74686270    -11.66581092
  H     14.96295883     11.10601671    -14.06332003
  H     15.16809429     12.71639817    -11.44600533
  O     18.30738692      6.93816807    -16.38613780
  H     15.59312855     13.35726719    -13.50436657
  H     14.31059400     11.56273596    -10.90016319
  O     16.79897120      7.53048704    -14.08199906
  H     14.13067965     13.80729733    -13.30783700
  H     12.22780343      7.49388220    -12.80850355
  O     19.30257149      9.59953328    -15.96245316
  H     12.91036072      8.92395792    -11.32319098
  H     11.32789667      6.47100825    -13.54446257
  O     17.26902259     10.27269943    -10.81759649
  H     14.02399452      7.85158717    -11.35895929
  H     12.64083600     11.60520749    -16.82904195
  O     15.73697762     11.42590454    -17.15948465
  H     12.29498209     14.74686797    -14.56230091
  H     14.09714632     12.13956985    -16.70579926
  O     10.66591573     11.94059684    -13.15396695
  H     12.66316420     13.34535602    -15.10288830
  H     17.86950581     10.12916433    -12.55511821
  O     15.17953870     11.97520326    -10.82452099
  H     17.34910357      9.03451911    -18.46676249
  H     17.55714074      9.13889351    -13.70285862
  O     11.80130271      7.28935676    -13.66265976
  H     15.98167615      8.37521882    -18.18207074
  H     14.33623231      8.55397419    -16.59822615
  O     13.20066846     12.23320558    -16.35430538
  H     11.95629675     11.15618344    -11.93937153
  H     13.46129380      9.29728516    -17.62855174
  O     17.98036390      9.98730271    -13.50416662
  H     13.30538541     10.67561361    -12.48088198
  H     18.91723009     11.13683303    -18.70794048
  O     14.36147326      8.99665035    -17.46005896
  H     17.78407348      7.30183555    -17.12239855
  H     18.66884941     10.39605197    -17.37178941
  O     18.23503929     10.73849707    -18.17474816
  H     18.73629695      6.15226992    -16.71373636
  H     13.41260727      7.60589951    -14.54610507
  O     14.20472229      8.03101896    -14.89431751
  H     15.88697629      7.61653004    -14.39532105
  H     14.19655731      8.93678631    -14.54591451
          69
 Energy    -249.76158636898242     
  O     18.01487004     12.53207759    -16.12375073
  H     18.48263442     13.17760967    -16.64662055
  H     14.76156187      6.71289386    -15.13728378
  O     15.47345174      7.02876196    -13.52227903
  H     17.06413254     12.67321758    -16.28360129
  H     16.45389208      5.11970798    -17.64544317
  O     18.36319506     12.12962982    -13.30988314
  H     14.79674766      7.01184859    -12.83529475
  H     15.35371985      5.17795320    -16.57458877
  O     19.31272137      6.35460580    -16.89175508
  H     15.60531213      7.96736973    -13.73428918
  H     16.44481378      8.90138927    -17.25409894
  O     14.01600934     10.52870229    -17.88855557
  H     17.47143894     12.09211564    -12.93857203
  H     16.22381061      7.73190565    -18.23652442
  O     15.35745241      9.34612996    -10.91328848
  H     18.26339716     12.35144198    -14.24271887
  H     14.77023149      9.88466436    -14.71232265
  O     12.30711670      8.00125591    -14.40790274
  H     19.49439034      7.06121931    -16.26021759
  H     16.30495854      9.74897595    -15.01622550
  O     13.69641789     12.87916376    -14.18859647
  H     19.10122553      5.57601402    -16.36042287
  H     18.04674505      7.53835971    -11.89244668
  O     18.26422214      4.20687534    -15.31620223
  H     14.61171662      9.76147194    -17.92483734
  H     18.60833108      8.95566921    -11.73719766
  O     13.42793187      7.63957864    -11.74785514
  H     13.56906081     10.56873223    -18.73047747
  H     13.22421901     10.42022277    -16.19923272
  O     17.36751757      6.38207326    -18.78550592
  H     15.41228064     10.25320751    -11.23328247
  H     12.67417424      9.61592671    -14.96360369
  O     14.30690934      6.65701338    -15.99254477
  H     16.24858634      8.97679466    -11.00825795
  H     19.69720375      8.87049091    -14.11064135
  O     16.08753040      4.63758921    -16.89393966
  H     12.60715485      7.85970736    -13.50116251
  H     18.91406470      7.55094440    -14.28605844
  O     15.76036366      8.42378089    -17.74871119
  H     12.83877734      7.42590158    -14.97338594
  H     18.19579804      5.45753713    -13.91212742
  O     15.62499512      9.63229020    -14.34069665
  H     12.93781307     13.42298099    -13.99217614
  H     17.12277856      6.44781744    -13.40493728
  O     17.93165525      8.35826936    -11.39827262
  H     13.35404774     12.01995398    -14.49336402
  H     20.68980201     10.32665857    -12.20061690
  O     13.07041363     10.45428957    -15.24729344
  H     17.44092386      4.29407429    -15.82919896
  H     19.38962620     10.81150269    -12.88463931
  O     19.36332646      8.25596348    -14.77642630
  H     18.46809248      3.27625658    -15.28021605
  H     18.27780711      9.26108505    -15.76857235
  O     18.07068450      6.24292684    -13.36683185
  H     14.06887149      8.29247464    -11.40957132
  H     17.88234926     10.69609394    -16.27088202
  O     19.92425502     10.02323213    -12.68094661
  H     13.00179694      7.25771878    -10.98545882
  H     15.03184270     12.24843912    -12.91742772
  O     17.61499345      9.76918494    -16.25867199
  H     18.10769723      6.42695364    -18.15274397
  H     15.75801677     10.90483608    -13.07837824
  O     15.70658954     11.69272440    -12.51232186
  H     17.74471724      6.16412824    -19.63345760
  H     14.90692662     12.05265264    -17.04247663
  O     15.35331587     12.73418489    -16.52718243
  H     14.73794541      7.29612958    -16.57405983
  H     14.80715500     12.89526298    -15.74763486
          69
 Ord_Energy   -249.761536    
 O   -5.50841618       6.12065077       2.05608702    
 H   -5.91541481       5.53371859       2.70774913    
 H   -5.79531336       5.78739166       1.19768107    
 O  -0.198934376       3.22636318       4.60097504    
 H  -0.986756682       3.79266667       4.52536631    
 H   0.529698372       3.79469323       4.83833361    
 O   -2.58224130       4.57505274       4.34244871    
 H   -3.04088712       3.94393778       3.76453400    
 H   -2.63241363       5.42384434       3.88588572    
 O   -3.14382696     -0.332573116       7.70696020    
 H   -2.52249718       5.37237301E-02   7.07684898    
 H   -3.39016151      0.391120344       8.29729843    
 O   -1.63174772       8.86750370E-02   1.28515303    
 H   -2.47891903      0.201986074      0.814922810    
 H   -1.13048720     -0.559539676      0.798219681    
 O   -4.00909948       3.25981712       7.21585006E-03
 H   -3.24716282       3.85667396       7.25358874E-02
 H   -4.78687429       3.78930569     -0.202828303    
 O   -5.69915438     -0.169959873       4.30100775    
 H   -5.72012281     -0.688549936       5.11505556    
 H   -4.76454258      -7.72755221E-02   4.05537367    
 O   -2.91973376       6.70281935       2.60039973    
 H   -3.85656786       6.53690290       2.38802481    
 H   -2.78264189       7.64168215       2.50940824    
 O   -3.11008430      0.311097890       3.61489391    
 H   -2.52234960      0.114356592       2.87447643    
 H   -2.57191133      0.574046552       4.37372732    
 O   -4.05184984      0.516760170      0.186877936    
 H   -4.05210495       1.46218455      -2.76396293E-02
 H   -4.87942076      0.344035298      0.648677886    
 O   -5.48519802      -1.39955437       6.82787657    
 H   -4.61042500      -1.08759189       7.12167025    
 H   -5.56985903      -2.30040002       7.12944365    
 O   -3.78498507       3.19417477       6.47923803    
 H   -4.65280724       2.90740752       6.15727758    
 H   -3.43597507       3.83932090       5.85191536    
 O   -4.06251764       2.05023932       8.98402977    
 H   -3.82737732       2.61853933       9.71315002    
 H   -3.93203330       2.56847072       8.17245579    
 O   -1.80813158       1.30214870       5.83727932    
 H   -2.50539517       1.92277074       6.09787464    
 H   -1.08931851       1.84308076       5.48758459    
 O   -7.49630690       2.80946088       1.30380857    
 H   -7.29499531       3.21458483       2.15929627    
 H   -7.19584656       1.89606881       1.36865568    
 O   -6.27346802       2.20525217       5.72715330    
 H   -6.12559462       1.43667257       5.16023254    
 H   -6.55178690       1.86188400       6.58734751    
 O   -6.40562344       3.96448374       3.60718632    
 H   -5.57481337       3.58076596       3.28193617    
 H   -6.57936430       3.50788379       4.43885517    
 O   -6.59503698      0.933062971       8.14812946    
 H   -5.81491947       1.28400099       8.59556961    
 H   -6.33269358       7.29352832E-02   7.79625988    
 O  -0.535280943       2.72673750       1.77204394    
 H  -0.331683934       2.76731086       2.71246982    
 H  -0.859731436       1.83568454       1.59759176    
 O   -6.51959085      0.122104287       1.66713345    
 H   -7.09953880     -0.596548796       1.42299724    
 H   -6.31103182      -3.65089998E-03   2.60657692    
 O   -1.89013553       4.84880543      0.579356074    
 H   -2.12227154       5.49023724       1.25865376    
 H   -1.33880246       4.17004442      0.998596609    
 O   -6.39781904       4.70870447     -0.279030710    
 H   -6.95790672       4.95507622      -1.00965834    
 H   -6.86983299       4.01608372      0.218882084    
 O   -4.02316093       2.84543681       2.77890277    
 H   -3.73596239       1.94758046       2.97979927    
 H   -3.99156594       2.96729064       1.82050467    
          69
 Energy    -249.76140289379785     
  O     16.38189303      9.84442703    -10.99017975
  H     16.11204170     10.48458949    -10.32040612
  H     12.78692620      7.24398580     -6.73523378
  O     14.24113654      4.07322526     -7.85198475
  H     17.31689973      9.62480556    -10.86730083
  H     18.34265826      5.18268163    -13.21185744
  O     12.07650202      5.33730465     -8.86544963
  H     13.42758314      4.45471929     -8.23129493
  H     19.75176462      4.55500521    -13.08716933
  O     14.98620934      8.42246770    -12.86848631
  H     14.02433428      3.19168515     -7.56083227
  H     15.40867431      4.71902714     -9.14356575
  O     18.88925518      8.82450317    -10.61731584
  H     11.97514516      5.53261739     -9.80485179
  H     15.63526762      6.17869396     -9.60993807
  O     19.73783796      9.66036991     -8.08786746
  H     11.92779943      6.15974661     -8.38405102
  H     19.30701565      7.12306362    -13.17501077
  O     18.49257815      6.08201329    -10.15234623
  H     15.53951694      8.35315201    -13.65594705
  H     19.14221578      8.47281377    -12.45624620
  O     11.97689121      5.85895611    -11.64919612
  H     15.47236317      8.98490377    -12.24688998
  H     18.05517763     10.33344545     -7.36205874
  O     15.23690218     11.31678124     -8.87587637
  H     19.27768205      9.20724275     -9.82099571
  H     16.59017862     10.79600106     -7.57580351
  O     12.52661056      8.66661780    -11.46032956
  H     18.73133533      7.88710758    -10.42944577
  H     17.08407028      8.44828665    -15.73518810
  O     13.15739825      9.49082668     -8.93695426
  H     20.57025553      9.92842943     -7.70789558
  H     17.71392719      8.13111207    -14.35770945
  O     12.01643468      7.65758254     -7.16683606
  H     19.59696948      8.73076360     -7.82816190
  H     14.53346659      8.27888759     -9.12124679
  O     19.19653710      5.25205824    -12.74838300
  H     18.81806953      5.72208075    -10.98688697
  H     15.84628094      8.44942511     -9.89932316
  O     15.85681659      5.25338455     -9.80965929
  H     17.61109216      5.70723100    -10.01782406
  H     14.30559035      5.56154770     -6.60282942
  O     19.12525304      8.05892272    -13.32838527
  H     11.43106549      5.42850577    -12.30261683
  H     15.02778333      6.86163396     -6.17572635
  O     17.20390022     10.44377398     -6.92052424
  H     12.90043195      5.71763914    -11.91862149
  H     15.08786693      5.46729720    -11.43618827
  O     16.90391393      8.04162261    -14.89205483
  H     14.89895766     12.20874140     -8.84356532
  H     14.79282574      6.65723008    -12.41197441
  O     15.38409702      7.85720117     -9.29400556
  H     14.46455784     10.72726832     -8.83582630
  H     19.00586732      6.58671458     -8.37953427
  O     14.17838500      6.40002556     -6.14388197
  H     12.18797021      7.76549389    -11.51902085
  H     18.24594243      7.17015215     -7.16410687
  O     14.64844731      5.70999686    -12.26387788
  H     13.29418646      8.69099634    -12.04677648
  H     16.73287925      8.70977319     -6.59149721
  O     19.12582770      7.07388431     -7.55472814
  H     12.66779998      8.95547441     -8.29983779
  H     16.15124441      7.75136814     -7.63877408
  O     16.51780177      7.77810291     -6.74323487
  H     12.83876917      9.27321544     -9.82827970
  H     16.01894881      5.27660148    -13.50161446
  O     16.81143929      5.30409900    -14.05260525
  H     11.34846666      7.76058529     -6.49403689
  H     16.79678776      6.16625053    -14.48723419
          69
 Energy    -249.76063785979142     
  O     -2.17632271      5.15158521      2.05580900
  H     -2.48948484      6.05299084      2.06948837
  H      1.36672620      0.75070391      1.73155693
  O     -2.93964495      2.73314030      3.25359507
  H     -1.22270933      5.18323143      2.23828091
  H     -4.18578649     -2.04379747      0.50828020
  O     -0.47954317     -0.60299012      4.81097755
  H     -2.76542917      3.61359443      2.89761155
  H     -2.93013486     -2.90879907      0.27182922
  O     -1.32202164     -3.24564535      1.17186994
  H     -2.41698630      2.11259500      2.71780791
  H      0.61120973     -2.17329852      4.80616889
  O     -2.20990217     -0.91240636     -1.90326109
  H     -1.17350375     -0.96740369      4.24099152
  H      2.00640565     -2.50874784      4.23499435
  O     -4.94614546      1.44582140      1.59480290
  H     -0.84124047      0.21055912      5.18171830
  H      0.77141109     -4.09077669      3.34003760
  O     -3.07135784      1.42211659     -0.50930047
  H     -0.76940601     -2.65527777      0.63726753
  H      0.74933943     -5.56648062      2.87194948
  O      0.16899468     -1.49504947     -0.38952570
  H     -0.73069098     -3.85623698      1.62810153
  H      1.74225116     -3.60892456      1.41542763
  O     -1.60330923      0.90189112      1.76170284
  H     -2.37370919     -1.16514743     -2.80840011
  H      1.64680344     -2.45550754      0.39267441
  O     -4.98521167     -1.22464556      2.07042273
  H     -2.78489414     -1.46958204     -1.34795906
  H     -2.13809948      2.23473938      4.77326717
  O     -2.35635998     -1.47777420      3.00057957
  H     -4.46895164      1.51862765      0.75588211
  H     -2.01220876      2.21466862      6.31357849
  O      0.99313068      0.81050762      0.84273516
  H     -4.44104526      1.96092695      2.23489513
  H      0.03501036      2.72507223      4.80824428
  O     -3.64809841     -2.44671328     -0.18319525
  H     -2.84242675      0.72326968     -1.13167135
  H      1.27189470      2.22538455      4.03684636
  O      1.18763422     -2.90646707      4.55752268
  H     -2.53953896      1.24010446      0.28205611
  H      3.04386664     -2.08717082      2.33738756
  O      0.61561711     -4.67127936      2.57339348
  H     -0.53091504     -1.26263257     -1.01084792
  H      4.33094446     -1.85714400      3.16548236
  O      2.24841989     -2.89678996      1.00464258
  H      0.50025706     -0.66272087     -0.01777759
  H      0.97383157      0.10132990      3.92389080
  O     -1.57464852      1.94392349      5.51015342
  H     -0.68485306      0.89143354      1.46559357
  H      2.42273916     -0.16531469      3.43472494
  O      0.80634628      3.02566947      4.31444307
  H     -1.81371279      0.04337343      2.14946126
  H      1.22571960      5.71527925      2.78193660
  O      3.39022859     -1.70364185      3.16324078
  H     -5.03464700     -0.26645549      1.90626114
  H      0.65625017      4.34954205      3.23465738
  O      1.74088406      0.51486163      3.50163972
  H     -5.84736771     -1.49614969      2.37382434
  H     -2.07484301      4.35407525      0.24245877
  O      0.54043169      5.07835556      2.59793189
  H     -3.30208578     -1.42295042      2.81439585
  H     -2.31194080      3.13424663     -0.67390537
  O     -1.79726380      3.94730573     -0.58569055
  H     -1.98962577     -2.15464294      2.41331418
  H      0.84669428      4.02221568      0.97738604
  O      0.81702495      3.43889669      0.21240003
  H      1.02731348      1.73654282      0.55544906
  H     -0.03992904      3.60826822     -0.20700773
          69
 Energy    -249.76015147609772     
  O     13.40284817     11.85846849     -8.73851222
  H     13.40681750     11.95985312     -7.79067896
  H     13.42323116     14.73372566    -12.01495954
  O     11.18988144     10.89997144    -15.40417311
  H     14.11352535     12.42831702     -9.08606795
  H     12.90012174     12.98700954    -16.92194599
  O     13.93191842      9.47003036    -10.20365558
  H     11.78412443     10.89884415    -16.16428284
  H     12.06719897     13.87836575    -15.97587296
  O     18.51465365     12.84830597    -13.51734790
  H     11.14846239     11.81258087    -15.07707004
  H     15.30515830     12.00751350    -12.77246143
  O     11.42653918     12.33290316    -10.70013687
  H     13.05926347      9.31723877    -10.58520266
  H     14.10179834     11.30380769    -13.47663159
  O     11.42056285      9.67103262    -11.51543057
  H     13.82704962     10.24620975     -9.63891446
  H     16.61497572     12.98850939    -15.85574394
  O     13.09285810      9.79741674    -13.71004065
  H     19.45360484     12.95445129    -13.64337211
  H     16.84298811     11.49490262    -16.12400485
  O     14.90394726     15.69940465    -11.35051774
  H     18.14097009     12.60919966    -14.38459813
  H     14.09900740     10.74566052    -17.03446787
  O      9.43215753      9.77115420    -13.56085945
  H     11.89018288     12.97292917    -11.25956815
  H     13.20886710     10.95648916    -18.27381735
  O     15.18468816     13.99637096    -15.33675285
  H     11.98804388     12.20903166     -9.92459302
  H     16.79183073      8.36105274    -10.89617561
  O     11.03384087     13.48049940    -14.40081180
  H     11.39321260     10.59678089    -11.22735336
  H     15.46560251      9.14974968    -10.97380792
  O     12.86133198     14.03767953    -12.37249978
  H     10.66196538      9.54582529    -12.09785037
  H     14.65375856      8.99304278    -14.02141810
  O     12.76008475     13.90112490    -16.64885754
  H     12.46002167     10.12901732    -14.35872027
  H     15.98450614      8.80174819    -13.28721368
  O     14.55705226     12.14686008    -13.36745065
  H     12.60006823      9.68795314    -12.88654924
  H     15.72943817      9.55156185    -15.70381002
  O     17.30201569     12.30577636    -15.88147496
  H     15.57757790     15.54014678    -12.03620994
  H     16.19375965      9.39402725    -17.16598173
  O     13.24132619     11.08856189    -17.32813297
  H     14.96231494     16.62222252    -11.11890175
  H     16.75216769     10.82289394    -11.57862279
  O     16.33379179      9.02874726    -11.40003594
  H      8.75211709      9.22459937    -13.94708919
  H     17.44799882     12.06433927    -12.25194356
  O     15.58972763      8.78351627    -14.16509002
  H      9.97957795     10.09420985    -14.29519982
  H      9.11707664     11.56433445    -12.80995323
  O     15.73214500      9.98571534    -16.57596813
  H     14.38362908     14.14016042    -15.85564888
  H      9.81542890     12.48067853    -11.78978858
  O     16.73231710     11.78444121    -11.66586082
  H     14.96304097     13.31812025    -14.67954532
  H     16.16132515     14.91416658    -14.08779503
  O      9.22157234     12.48740263    -12.55194328
  H     11.69496955     13.80440950    -13.77329467
  H     17.39225375     14.47715406    -13.27860055
  O     16.68880437     15.13345509    -13.30537706
  H     10.26112087     13.26366000    -13.85923615
  H     15.92286650     12.82631665    -10.39131412
  O     15.36786183     13.35192115     -9.79874299
  H     13.46446476     13.34777336    -12.69129882
  H     15.22077594     14.19549413    -10.24192615
          69
 Energy    -249.76007631851300     
  O     18.00115068      8.81800992    -15.79975378
  H     18.01314178      7.88009640    -15.57941092
  H     13.68238043      9.22619933    -10.86326178
  O     13.51157019      3.98336528    -14.76115379
  H     17.96903693      9.28664229    -14.95251008
  H     15.90119765      9.04961705    -13.79644651
  O     12.90507547      8.98688656    -12.45340238
  H     14.21697782      4.44923553    -15.24683783
  H     14.95725027      8.27775249    -14.78986617
  O     12.51825309      7.03882798     -9.22524090
  H     13.35979563      3.16023594    -15.21752041
  H     18.72806923      5.57288695    -14.72122868
  O     11.57035032      6.10063700    -14.63230517
  H     13.70865857      8.80698072    -12.96690116
  H     17.49247443      6.13524071    -13.98458396
  O     16.08406617     10.11140696    -17.21084333
  H     12.47906734      8.13272250    -12.30376891
  H     12.36603178     10.07269274    -13.88010365
  O     15.42396752      5.37516744    -16.04838186
  H     13.17751315      6.34269118     -9.11668600
  H     12.01012824      9.77035977    -15.34155192
  O     15.78205873     11.57830160    -10.34216259
  H     13.01609060      7.86286213     -9.30307394
  H     13.87759439     11.28672057    -15.04881155
  O     14.57443181      4.99383314     -9.41533881
  H     12.16739202      5.35235652    -14.74908337
  H     15.19149716     11.19281993    -15.87397149
  O     14.47621057      7.94123598    -16.53100287
  H     11.50682382      6.23751653    -13.67815941
  H     11.94817199      6.62767384    -10.92518709
  O     14.23372107      4.71354173    -12.15709929
  H     16.43181428     10.46941947    -18.02308024
  H     12.73731620      5.84029490    -11.98825761
  O     14.17595413      9.25158639    -10.02911879
  H     16.82186565      9.65612025    -16.76503394
  H     10.96825222      8.11563466    -16.96725179
  O     15.17675284      8.41336466    -13.85958181
  H     15.08994727      6.24136263    -16.32204721
  H     11.60828751      7.43692437    -15.73376361
  O     17.92836656      6.07704083    -14.85145155
  H     16.32323468      5.52415711    -15.73622292
  H     16.41008094     13.36804640    -13.18756458
  O     12.30812121     10.47635227    -14.75684141
  H     15.78347228     12.34184529     -9.76910899
  H     15.51892054     12.23392856    -13.73879256
  O     14.76968052     11.65409002    -15.14220975
  H     15.80132628     11.91493237    -11.25183888
  H     15.92281781      7.07241679    -13.05374446
  O     11.97270160      6.41970916    -11.87015005
  H     14.63297271      4.16735700     -8.94235208
  H     16.47682910      6.68191732    -11.66095224
  O     11.70231098      8.17594768    -16.36201794
  H     14.41517962      4.77047269    -10.34724717
  H     17.66113255      9.77336715    -12.49073764
  O     16.05405253     12.51012308    -12.97086513
  H     13.52164071      8.08351258    -16.57639463
  H     17.07203851     10.94198028    -13.32022423
  O     16.41166222      6.38165298    -12.57651812
  H     14.92396897      8.70331485    -16.91953961
  H     17.39000174      8.69960466    -10.35406315
  O     17.42058377     10.04621496    -13.38860061
  H     13.96041141      4.31818110    -12.99433559
  H     17.18789533     10.22344674    -10.44384064
  O     17.77429509      9.50714009    -10.71763731
  H     15.02217380      5.24128002    -12.35194988
  H     15.74964854      6.49468988     -9.61286876
  O     16.15957348      7.29304940     -9.96501126
  H     14.65167372     10.08948915    -10.02875328
  H     15.46114874      7.96574457     -9.98920044
          69
 Energy    -249.75986909846409     
  O     13.83367440     11.75903702    -11.69552041
  H     14.44334218     11.83762581    -12.44332630
  H     18.06481139     10.38204535    -11.37075320
  O     15.01716863      6.93414815    -15.25919704
  H     14.36208056     11.45898102    -10.94776940
  H     15.44043916      8.21736049    -14.00994652
  O     15.92879384      5.90069945    -10.86094359
  H     14.06903269      6.87920827    -15.08028493
  H     16.76655997      8.85820799    -13.56218320
  O     14.62728481     10.94731600    -16.44808620
  H     15.45582195      6.24484191    -14.74301528
  H     12.38594047     11.02366272    -12.28138845
  O     11.74739362      5.19029015    -11.38366392
  H     15.43179131      6.73253693    -10.81701081
  H     10.86808988     11.17337397    -12.53911370
  O     12.34719113      6.95196173    -14.53758363
  H     15.31957593      5.19203821    -10.62013310
  H     15.05621064      3.86093560    -13.51157550
  O     14.65284660      8.30072714    -10.93748016
  H     14.29935822     11.44345346    -17.19340136
  H     14.21733424      3.40621883    -12.30507936
  O     18.37580688      8.87467629    -14.51733489
  H     13.85941486     10.49279632    -16.05696186
  H     12.19674624     10.07238037    -14.40492254
  O     11.81774299      4.22987030    -14.09248292
  H     11.60163188      4.84461100    -12.27288698
  H     12.39034780      8.75635839    -15.17895259
  O     16.58558154      8.83085961    -16.60167212
  H     11.74786639      6.15323842    -11.46832983
  H     17.58037201      6.56335011    -10.79270797
  O     19.03465697      6.27113133    -13.51642419
  H     12.07591901      6.02622582    -14.51692255
  H     18.92076723      6.80482472    -10.06260560
  O     17.84342224      9.87749421    -10.57203043
  H     12.27537700      7.27597338    -13.62790765
  H     16.18854004      5.46369488    -12.65068079
  O     15.83399555      8.77278845    -13.32442239
  H     14.82189524      9.04390992    -10.34676383
  H     17.31948271      5.43243715    -13.69714573
  O     11.60475602     10.58013721    -12.65894403
  H     15.08272542      8.51421105    -11.78305229
  H     13.14893773      4.41353526    -10.71893330
  O     14.26443776      3.36441625    -13.26824816
  H     18.68187796      7.97855101    -14.34628686
  H     13.73912526      3.35414815     -9.75753169
  O     12.52868274      9.70932131    -15.23507238
  H     17.85663153      8.86659423    -15.33803058
  H     17.42465227     11.53264350    -13.27495002
  O     18.45587601      6.97731292    -10.87883550
  H     12.70093419      3.87813913    -13.88104822
  H     18.49834919     10.47306453    -13.57058148
  O     16.39637648      5.19287086    -13.55639812
  H     11.35056383      3.54111079    -14.55735782
  H     11.78942716      8.81281947    -12.11558463
  O     13.96909997      3.95290235    -10.46280405
  H     15.99441858      9.59244257    -16.63763586
  H     12.97954159      8.03181137    -11.51695938
  O     18.26774353     11.18548619    -12.95767861
  H     16.03121083      8.09104795    -16.31571086
  H     15.53918411     10.98618747     -8.72924559
  O     12.10721225      7.92191815    -11.92275322
  H     18.93265414      6.54216595    -12.58945030
  H     16.33579383     10.39977221     -9.91932640
  O     15.43904582     10.61174317     -9.59982139
  H     19.89437596      5.86339976    -13.59329515
  H     15.59445036     10.56599319    -13.61978929
  O     15.57015451     11.50774276    -13.84855831
  H     18.07230011      8.96161704    -10.74905507
  H     15.30292000     11.52930570    -14.77485613
          69
 Energy    -249.75975974591330     
  O     13.39418628      3.60096802    -15.82058517
  H     12.50738377      3.44585251    -16.13648438
  H     20.98293856      3.24441637    -15.32102505
  O     17.85754500      6.65923303    -12.16005870
  H     13.62893507      4.51133356    -16.07089750
  H     18.47149800      7.60856393    -17.89997436
  O     19.36780935      4.29211745    -17.85278712
  H     18.70503871      6.48922374    -12.59640197
  H     19.57905895      7.47777677    -16.81953284
  O     16.72716431      3.95669464    -18.95174835
  H     17.35932142      7.23940104    -12.75244277
  H     17.68828128      6.18553921    -16.37994390
  O     13.63764700      7.78190946    -10.88164494
  H     18.52329606      4.07468503    -18.26271552
  H     17.19794784      5.04925839    -15.42620660
  O     14.01065612      4.41697933    -13.18298046
  H     19.39521060      5.26082687    -17.83799251
  H     13.85137723      6.20097491    -13.49391015
  O     16.39168167      8.00150645    -14.08633017
  H     16.39366652      3.44119904    -18.19550179
  H     13.61263450      7.51972656    -12.74629051
  O     17.52655578      3.38707723    -14.69952813
  H     16.60880960      3.41075388    -19.72544137
  H     15.47718343      3.60065756     -8.82978688
  O     13.12365705      4.95436810    -10.58274429
  H     13.34120051      8.52113315    -10.35750486
  H     14.62586907      4.37422717     -9.86570754
  O     20.23422454      8.51278118    -15.44293494
  H     14.53318990      7.56007514    -10.56845951
  H     13.96059306      6.68780925    -15.51766165
  O     15.86176347      2.59172421    -16.78477066
  H     13.82768723      3.96702114    -14.01496486
  H     15.22460432      6.05098140    -16.14889665
  O     20.21274770      3.80664934    -15.32519188
  H     14.93821171      4.27343355    -12.94905366
  H     20.18290124      6.98725819    -14.29942804
  O     19.05561905      6.97825573    -17.45928650
  H     15.46027063      7.84286293    -13.88867579
  H     20.17260290      5.43855368    -14.27999751
  O     16.97980894      5.91918611    -15.78284619
  H     16.67050161      7.27804157    -14.67027193
  H     17.06800746      5.03886580    -12.20589157
  O     13.77578849      7.15817309    -13.62674377
  H     18.48818393      3.41547066    -14.78625681
  H     16.35006796      4.00734384    -11.30197187
  O     15.53764453      4.15288400     -9.60422573
  H     17.29718820      3.52896445    -13.77116498
  H     16.80897971      6.95175798    -10.65461154
  O     14.26725516      6.16638753    -16.26892273
  H     13.12444066      5.91904025    -10.60728378
  H     15.99057456      6.04225849     -9.72180314
  O     20.06151214      6.21988700    -13.72678470
  H     13.26002573      4.67372609    -11.49906916
  H     14.89654633      6.47066682    -18.04426780
  O     16.62834362      4.17499440    -12.21040080
  H     19.40071228      9.01476594    -15.49382464
  H     15.94161888      5.69443953    -18.87563680
  O     16.08450860      6.95661841    -10.01415389
  H     20.93789427      9.15323078    -15.38178457
  H     17.46327989      9.46945228    -16.64461543
  O     15.51553720      6.55623050    -18.78012058
  H     16.46122221      2.73609746    -16.03904046
  H     17.23635330      9.25436167    -15.12909800
  O     17.81196123      9.69141348    -15.77323011
  H     14.97677173      2.79419277    -16.45986805
  H     17.02978598      9.30556355    -19.18464068
  O     17.09836695      8.73408550    -18.42418495
  H     19.95839943      3.92779513    -16.25792802
  H     16.48801329      7.99176703    -18.58037387
          69
 Energy    -249.75966231656173     
  O     15.43620932      9.47492291    -16.35865700
  H     15.95679051      9.66306047    -15.56859094
  H     19.02325542      6.83124399    -17.58198617
  O     14.30371528      3.24730454    -16.10592911
  H     14.65138846      8.99159868    -16.07452430
  H     17.47683413      6.60664886    -16.03307123
  O     17.82610417      5.67077790    -11.87142719
  H     15.24378004      3.08037508    -15.95762121
  H     16.61554927      6.58041128    -14.73789989
  O     18.98135200      5.20204261    -18.46977256
  H     14.26057331      4.08297464    -16.58990920
  H     12.23194700      8.23825225    -15.72868686
  O     13.45417295      6.55204504    -10.35726390
  H     17.25594424      6.33639331    -12.28761600
  H     13.18312697      7.55664862    -14.72342769
  O     13.91596935      4.09835324    -13.52701606
  H     18.65208496      5.67533021    -12.36950202
  H     14.35666440      3.00623839    -10.27434521
  O     16.17229741      7.40628148    -13.17168519
  H     19.39855973      4.84285260    -19.24848190
  H     15.14570287      1.97433230     -9.43208011
  O     17.03996902      3.34661875    -15.22324778
  H     18.06232507      5.40616105    -18.71938304
  H     15.31322572      5.97127425    -16.56980480
  O     12.90842370      3.76181560    -10.93210131
  H     14.35460383      6.25199054    -10.13748569
  H     13.90174682      6.54711285    -16.75295752
  O     19.29666845      8.42683022    -14.50779183
  H     13.14408906      7.05472438     -9.60875875
  H     19.90991659      5.27158264    -14.39204262
  O     19.60200838      4.25670640    -15.80508793
  H     13.89557242      3.75129607    -14.42959718
  H     20.96771043      5.63817162    -13.33242265
  O     18.76602751      7.60952676    -17.07146860
  H     14.78633457      3.87636761    -13.16922191
  H     16.11756495      2.97654728    -11.66014445
  O     16.78705198      6.11954868    -15.56861406
  H     15.21558510      7.28398788    -13.13424161
  H     16.95410565      4.12946801    -12.27046831
  O     13.13173642      7.94103446    -15.61374940
  H     16.36876082      8.33152322    -13.36440698
  H     16.67407289      5.63444697    -10.35172393
  O     15.25012313      2.73454482     -9.99722577
  H     16.95352157      4.30552642    -15.34492358
  H     15.77397233      4.56427084     -9.70665631
  O     14.50614693      5.88544268    -17.10315871
  H     16.88281611      3.17725848    -14.28452947
  H     16.54704016      7.04977689    -19.09406658
  O     20.06614099      5.80808496    -13.59535693
  H     12.91104562      4.68889236    -10.66618208
  H     15.69582172      5.89134601    -18.57205156
  O     16.42283482      3.35160725    -12.49452749
  H     13.07118018      3.76808674    -11.88634354
  H     13.59212525      5.82507949    -13.35617730
  O     15.90881713      5.51804627     -9.77480127
  H     19.23728251      8.22485550    -15.45378174
  H     13.34659241      6.81596265    -12.18901048
  O     16.47298819      6.08718129    -19.11115421
  H     19.58677194      7.60727281    -14.09221855
  H     17.28346078     10.70814872    -13.62706613
  O     13.47276739      6.76559715    -13.14505794
  H     19.48790304      4.52815800    -16.72254094
  H     17.91750478      9.41023519    -14.18700218
  O     17.07254562      9.87610251    -14.04140494
  H     18.80990347      3.74046120    -15.59762660
  H     16.78986140      9.64713543    -19.18891388
  O     16.80681718      8.88927456    -18.61111150
  H     18.17057820      8.12556491    -17.63089662
  H     16.26356310      9.11556655    -17.83454573
          69
 Energy    -249.75943838293591     
  O     -0.66859191      0.48151038      1.95211938
  H     -1.22020135     -0.06096454      2.54092377
  H     -3.85910547      5.34153384      5.37739192
  O      1.36677488      0.46824979      5.90272875
  H     -1.28840187      0.94708832      1.37757052
  H     -2.84269704      2.97994820      5.57655850
  O     -5.42320097     -2.98901357      2.57726146
  H      2.16015698      0.58140307      6.41901844
  H     -1.67488126      2.06767015      5.15210585
  O     -2.95647520     -2.64705134      1.35321422
  H      1.48358726     -0.34402164      5.37763463
  H     -3.85579227      4.41222568      1.81207432
  O     -2.76660923      1.65904191      0.52835197
  H     -4.55987493     -3.01375074      2.13417842
  H     -4.90268298      3.38849581      2.28824402
  O     -3.45137129     -0.74317525     -0.67310888
  H     -5.82845161     -3.84148728      2.43219276
  H     -0.32692640      0.03367592      6.69035813
  O      1.18866105     -1.48844756      1.57365361
  H     -3.06172890     -2.09367099      0.56961230
  H     -1.75252600      0.60844066      6.69636896
  O      1.57156266     -1.75655552      4.39632219
  H     -2.75347762     -2.04320151      2.08698249
  H     -1.78628040      4.71457404      3.89365997
  O     -0.07890233     -4.05346757      4.73966267
  H     -3.56555509      1.62471671      1.07800347
  H     -0.59909561      3.78144139      3.59126296
  O     -5.09870409      1.57806984      2.00894972
  H     -2.51697758      2.59027155      0.47588528
  H     -3.14725521     -0.37581403      3.66046020
  O     -2.16866617      4.37154760      0.79848861
  H     -3.16518336      0.12300699     -0.33982801
  H     -2.23160223     -1.49810050      4.19641264
  O     -3.42164136      4.63286122      4.91328544
  H     -3.41368644     -0.69452220     -1.62536224
  H     -5.92480260     -1.47440968      1.43130849
  O     -2.47402690      2.09560111      5.69733632
  H      1.83199755     -1.27211565      0.90359613
  H     -5.22187616     -0.84190027      0.21444542
  O     -4.55048071      4.27215771      2.46532435
  H      0.57051147     -0.73972484      1.62367182
  H     -1.83503704     -1.71459835      6.24994102
  O     -1.23881505     -0.17616757      6.92514688
  H      1.07095175     -2.55316509      4.61037709
  H     -1.47097127     -3.06001077      5.52641128
  O     -1.06798469      4.56249702      3.26731741
  H      1.54726196     -1.67496007      3.43566340
  H     -4.08158360     -2.26552312      5.52123429
  O     -2.40530541     -0.94647759      3.42226822
  H      0.19399379     -4.94143201      4.95483028
  H     -5.16517471     -2.35513529      4.41977322
  O     -5.97847216     -0.74320891      0.80416232
  H     -0.25313128     -4.03670694      3.78123626
  H      0.12330045     -3.06085908      1.78932742
  O     -2.18904139     -2.44627194      5.71852830
  H     -5.56843455      0.85817656      1.56745787
  H     -1.34458804     -3.52991135      1.73108355
  O     -4.96284401     -1.95370465      5.27354988
  H     -4.94123862      1.28468055      2.91976475
  H     -0.21088106      1.55984033      3.36775627
  O     -0.47169645     -3.76798387      2.06880655
  H     -1.70853849      4.45659245      1.65337785
  H      0.48629083      1.61513519      4.75772275
  O     -0.10144868      2.09805170      4.16306567
  H     -1.89610761      5.11357632      0.26571277
  H     -3.84128638      1.09321044      5.01776466
  O     -4.46349740      0.61260950      4.45580930
  H     -3.90470826      4.50636204      4.07695933
  H     -4.74196166     -0.20504153      4.89475056
          69
 Energy    -249.75907495170779     
  O     -2.08781951      3.33664866      4.90571638
  H     -1.16019167      3.25275708      5.15367082
  H     -1.17965763      0.19451752      4.86022676
  O      0.65625458      2.61950255      5.49215444
  H     -2.46015863      2.45066368      5.00356834
  H      1.98604388      2.18290739      2.63586252
  O     -0.87073555      2.23685386      1.68877281
  H      0.39610861      1.69830185      5.30232476
  H      1.34319059      2.96272154      3.83524466
  O     -2.44473098      4.52971525     -2.07164977
  H      1.05307897      2.62170806      6.35878341
  H     -3.56617280      0.17089001      2.03097827
  O     -1.36136305      5.40803608      0.26338130
  H     -1.52900852      2.91112753      1.90385971
  H     -4.59903772      1.29343147      2.28484527
  O      0.06788392     -1.67873832      0.22889476
  H     -0.08839597      2.41332785      2.22546240
  H      2.13429119      5.63136096      1.10821900
  O     -4.30424152      2.63274953     -1.05733494
  H     -2.03220752      4.85676495     -1.25211846
  H      1.50848361      4.36224972      1.72912587
  O     -2.99500258      0.62443022      5.04683913
  H     -2.67610227      5.29942494     -2.58495258
  H      0.06964858      2.53083240      0.18423599
  O     -1.34956125     -2.00402681     -2.21601669
  H     -1.86724372      5.11774109      1.03551609
  H      1.13517026      3.55844173     -0.21746639
  O     -2.71907265      4.18392121      2.37911910
  H     -0.43348097      5.36632892      0.51881866
  H     -5.99107126      3.26427114      1.51831580
  O      1.86997416      0.22490238     -0.69950575
  H      0.71701940     -1.01991000     -0.06337807
  H     -4.85096893      2.82746979      0.56820841
  O     -0.21408943      0.15533413      4.85293965
  H     -0.37732957     -1.98930601     -0.56847832
  H     -1.66386031      0.75224144      1.27450121
  O      1.55114283      3.01122803      2.89383736
  H     -3.73012277      3.31805621     -1.42216378
  H     -1.39824041     -0.69723008      0.79623958
  O     -4.23118636      0.48438143      2.65993754
  H     -3.94170580      1.79138272     -1.35757702
  H     -0.24563908      2.39805349     -1.95605942
  O      1.42725604      5.00088679      0.99943619
  H     -3.56857184      0.25860031      5.71491755
  H     -1.44672847      3.01862889     -2.66797180
  O      0.73200167      2.72935920     -0.49564752
  H     -3.47091508      0.55151743      4.20070057
  H      2.03062955     -0.16883919      2.44980502
  O     -5.09409967      2.94091158      1.50484499
  H     -1.93824946     -1.23818636     -2.10488673
  H      2.49480149      0.41584794      1.10711337
  O     -2.09940846     -0.05699586      0.96203746
  H     -1.84617337     -2.66458797     -2.69220350
  H      0.16783051      0.65670591     -3.22756192
  O     -0.89813755      2.22496524     -2.65155416
  H     -2.55223880      3.99977938      3.31649124
  H      0.04511902     -0.86098788     -3.00557145
  O      2.49860204      0.57800247      2.05897770
  H     -3.58395957      3.82034493      2.15172552
  H     -2.07896780      0.97520866     -2.04439038
  O      0.68327511     -0.15820165     -3.17581085
  H      1.56529979      1.13746189     -0.58749242
  H     -2.56558409      0.24782536     -0.74810702
  O     -2.71915540      0.33321247     -1.70204188
  H      1.66386982      0.00839493     -1.62022814
  H      1.21016750     -2.48421568      3.15948417
  O      0.84409320     -1.64629402      2.88394763
  H      0.04679240     -0.47872651      4.17672287
  H      0.53781298     -1.76888023      1.97139453
          69
 Energy    -249.75894588823263     
  O     15.72441583     10.15563299    -14.69093729
  H     14.78290920      9.96208163    -14.60934224
  H     20.19213594      6.61624304    -15.02924663
  O     14.05502261      4.46788925    -16.45356304
  H     15.90413871     10.15921029    -15.64451798
  H     17.57545365      7.64861762    -16.53983333
  O     18.04432713      6.48416558    -11.90428683
  H     14.10254249      4.32736436    -15.49879021
  H     19.07363414      7.44507489    -16.85205587
  O     16.65681091      6.57321580    -19.01138578
  H     13.80538630      5.39498885    -16.56328125
  H     15.50504788      6.93821258    -15.86140181
  O     13.93212445      5.93727145    -10.27472444
  H     18.86683140      6.79599467    -12.29986026
  H     16.35263531      7.25020089    -14.59481090
  O     14.34155094      4.40726217    -13.64960874
  H     17.35539024      7.09798028    -12.20755097
  H     12.22062323      9.48127783    -14.29736654
  O     16.10926248      8.05948028    -12.93736805
  H     16.55876547      5.66141480    -18.70988343
  H     13.13071109      8.32348695    -13.82869438
  O     17.85210913      4.54429833    -15.80014621
  H     17.37908317      6.96155890    -18.50446324
  H     16.45771244      3.82670671    -10.20738910
  O     13.57391426      3.23247740    -11.19193866
  H     14.85217442      5.90995923     -9.98596415
  H     16.62277177      3.23327021    -11.61280461
  O     18.64731468      9.55842881    -14.68989265
  H     13.69543690      5.02275173    -10.47731703
  H     13.46444065      7.92650399    -15.94679439
  O     16.21181696      3.93099000    -18.00660582
  H     15.29952218      4.34782003    -13.52651849
  H     13.96970223      7.67848571    -17.40466308
  O     20.09929737      6.27284829    -15.92536235
  H     13.94512355      3.93444078    -12.90697155
  H     20.95789548      8.04485412    -13.10672956
  O     18.30380038      7.98266824    -17.09033101
  H     16.03119685      8.88209072    -13.43970914
  H     19.60270402      8.38787479    -13.76331385
  O     16.38301705      6.84746620    -15.46991689
  H     15.21793101      7.71498046    -12.79104144
  H     17.48782121      4.93388277    -12.75959941
  O     13.04860801      9.04300234    -14.47845098
  H     17.45089066      4.14462764    -16.58013361
  H     17.46433911      4.10063430    -14.07027943
  O     16.24028804      3.05297759    -10.74233417
  H     17.33013306      5.34756266    -15.63763356
  H     17.27866627      5.96286768    -10.36094363
  O     13.81583656      7.25907498    -16.54739468
  H     13.07678585      2.47730639    -10.89043289
  H     17.17971284      5.93775176     -8.82083299
  O     20.11940411      7.66707990    -13.36176537
  H     14.51018368      3.05582025    -10.98666316
  H     15.32164917      7.67593121    -19.09479861
  O     17.10451180      4.14957790    -13.17492868
  H     17.78134341      9.96235334    -14.57698731
  H     14.24324162      8.47297922    -19.87093414
  O     16.74485544      5.64024575     -9.61644223
  H     18.64013217      9.17698275    -15.57672125
  H     13.77887212      6.12251088    -13.23134522
  O     14.60147710      8.32666676    -19.00003277
  H     15.41264933      4.07314064    -17.46689649
  H     13.58624486      6.74414505    -11.83405212
  O     13.57613933      6.95395787    -12.78013445
  H     16.04716826      3.16141409    -18.54471536
  H     15.66136423      9.56674010    -17.98532200
  O     16.29915600      9.97540462    -17.38823545
  H     19.46822931      5.54182364    -15.87119547
  H     17.10051584      9.44361785    -17.47164809
          69
 Energy    -249.75873820951773     
  O     10.86077624      8.88285125    -11.64982027
  H     11.45929953      9.60016222    -11.89550033
  H     15.28893770      5.92620513    -10.07075870
  O     16.57857467      8.71986254     -9.87112182
  H     10.86201032      8.25985811    -12.38773893
  H     13.82448654      3.75606368    -15.12010551
  O     15.76772427      6.05917658    -14.61243747
  H     16.91835764      8.98747351    -10.73062658
  H     14.12965661      3.60556278    -13.60697152
  O     16.65424752      2.14192565    -13.40777920
  H     15.68406623      9.08848695     -9.80549549
  H     14.21781113      8.11735818    -12.91346494
  O     14.91858624      9.72117100    -13.57037054
  H     15.42290236      5.15653658    -14.65494046
  H     14.51538422      6.71584582    -13.47107662
  O     13.95996647      9.61488668     -9.82499596
  H     16.45776258      6.07752700    -13.93619195
  H     11.37104663      8.15170079    -10.14775998
  O     12.31137816      4.31420618    -15.92101831
  H     16.18139725      1.85111780    -12.61879500
  H     11.16122306      7.87484940     -8.63895993
  O     15.19965421      1.78872241    -10.93828952
  H     15.98670635      2.57033326    -13.96090504
  H     13.79213142      7.97292643    -16.14918533
  O     12.85883603     10.84705100    -12.19066166
  H     15.82387914      9.57125038    -13.27039042
  H     15.15926137      7.51425851    -15.61743890
  O     18.71593022      3.68366050    -12.55016857
  H     14.83379938      9.33870294    -14.45866866
  H     17.05741412      6.14616537    -11.64171066
  O     17.19250813      3.41452382    -10.10088066
  H     13.58538454     10.12281482    -10.55329759
  H     18.07290658      5.41241158    -12.55250895
  O     16.24804666      6.02281868    -10.01585673
  H     13.26920359      9.00130417     -9.55064805
  H     17.58271900      8.02606101    -12.62719963
  O     14.53716392      3.60129459    -14.48349951
  H     11.72956187      4.22714242    -15.15578860
  H     18.34037175      9.35000542    -12.85687390
  O     13.95289050      7.19265264    -12.84604088
  H     12.26341855      5.23981253    -16.18797732
  H     11.34930871      7.55577457    -16.86337903
  O     11.78246160      7.76536961     -9.35366287
  H     15.89390395      2.36123382    -10.56342706
  H     11.69225593      7.18584335    -15.40317581
  O     14.66532591      8.29734552    -15.90030246
  H     15.16356226      1.00822312    -10.39191169
  H     12.88483770      6.41835954     -9.99062633
  O     17.54755400      6.21877036    -12.47430931
  H     12.78606206     11.78587634    -12.34367358
  H     13.69805948      6.40083928    -11.30732308
  O     17.48307754      8.99203025    -12.63736105
  H     13.60093997     10.53281711    -12.73493663
  H     11.08480829      6.02675110    -13.49621230
  O     12.03093858      7.17578950    -16.31355583
  H     18.01896082      3.11793154    -12.92913020
  H     12.25147739      7.03985089    -13.35843712
  O     13.50247706      5.88679188    -10.50656529
  H     19.55028537      3.29167125    -12.79276922
  H     11.73542601      3.87389184    -12.82330334
  O     11.33031471      6.94765155    -13.65001029
  H     17.84582867      3.47834877    -10.80686115
  H     10.24226706      3.59917794    -13.10556140
  O     10.97173687      4.16359199    -13.34961286
  H     16.90901297      4.32234816     -9.91977330
  H     13.33190612      4.33197958    -11.37283294
  O     13.26671149      3.55148992    -11.94320982
  H     16.42378981      6.95625623     -9.82121364
  H     13.84525070      2.87675350    -11.56548378
          69
 Energy    -249.75838365691172     
  O     11.73242620      8.90689191    -15.37588236
  H     11.87962619      9.85979045    -15.34987244
  H     16.18867632      5.48278148    -15.28802953
  O     16.89673588      7.31173865    -12.85968934
  H     11.53822780      8.62303233    -14.47436102
  H     14.89563959     10.58964226    -17.45803407
  O     16.42964503     11.72287567    -12.37016120
  H     16.23197927      7.18115091    -12.16852857
  H     15.47196125     11.52425822    -16.38621814
  O     16.78142174     11.16055360    -15.07405537
  H     17.45696637      8.05066261    -12.59299858
  H     14.78510155      8.38828241    -15.10665972
  O     14.31044259      5.07257973    -15.30659942
  H     15.50668919     11.50974413    -12.56802575
  H     15.82210707      8.29578560    -13.94767877
  O     14.21720052     10.11722096     -8.76491127
  H     16.48205558     11.83117709    -11.40925769
  H     10.40615094      7.40992215    -12.58826094
  O     14.86932324      7.11174748    -11.01115413
  H     16.73036112     11.59607586    -14.21242029
  H     11.89295653      7.05337129    -12.82152204
  O     13.89919064     10.85174042    -13.12359979
  H     16.28489810     10.33071902    -14.97872494
  H     18.53944046      9.48610239    -10.56174330
  O     17.64118741      8.08895471    -16.81841211
  H     14.09289472      5.90237914    -15.76745393
  H     19.37093490      9.41110088     -9.26328496
  O     16.15675056      7.98669372     -8.75454237
  H     13.96155511      4.36214431    -15.83937321
  H     13.80243447      6.07865344    -12.18465573
  O     19.19335203      9.87838613    -15.06788114
  H     13.71116055      9.82861394     -9.54191640
  H     13.57883493      5.51752057    -13.61763596
  O     17.05847789      5.89643656    -15.25197017
  H     13.57857634     10.35002175     -8.09517031
  H     18.79380446      9.68050707    -13.20500111
  O     14.69896172     11.38578012    -16.94905613
  H     14.24783229      7.84783998    -11.07977336
  H     17.67421879     10.36018649    -12.36987074
  O     15.26276284      8.90366617    -14.44746149
  H     15.34252984      7.24044205    -10.17626285
  H     17.23245915     10.94376532     -9.47200099
  O     11.26289933      7.79497641    -12.75412384
  H     14.33002869     10.10290214    -13.56891406
  H     15.71961496     11.17144175     -9.29975116
  O     18.47711172      9.46442622     -9.59309894
  H     13.35101661     11.27803250    -13.79229409
  H     15.61953918      8.79423280    -19.10465885
  O     13.12513964      5.85017898    -12.83449837
  H     17.46593373      7.26706332    -16.33359909
  H     16.26948814      8.64736475    -17.70891359
  O     18.34619615      9.66206745    -12.35060082
  H     18.26944802      8.58327962    -16.28519650
  H     12.28843591      8.77757114    -11.53312250
  O     16.52660875     11.58120939     -9.63559407
  H     15.52615155      8.70208090     -8.60223199
  H     13.30442700      9.91416148    -11.74654737
  O     15.45915576      8.92698267    -18.17415550
  H     16.99118718      8.41478766     -8.98233771
  H     13.24809321     11.59288314    -16.00329490
  O     12.99706285      9.26527391    -11.09553024
  H     18.39927943     10.43073123    -15.17585428
  H     11.97826760     12.42021615    -15.69320696
  O     12.48836290     11.67096935    -15.39816734
  H     19.91799684     10.35943066    -15.46101822
  H     14.25368677      7.96938477    -17.12819891
  O     13.80335764      7.49637367    -16.41818335
  H     17.12587178      6.27149588    -14.36247099
  H     13.00781957      7.98694545    -16.15653575
          69
 Energy    -249.75829615140722     
  O     16.66667606     11.37068689    -10.12439277
  H     17.16937285     11.92600467     -9.53453395
  H     14.13588226      6.15065532    -14.95135233
  O     12.04690503      6.62129940    -11.50064273
  H     17.06075782     10.48059095    -10.07625181
  H     16.33935176      5.55317477    -14.17887054
  O     17.06964849     10.03660887    -14.71808632
  H     12.51268377      5.86371850    -11.87292682
  H     17.84900242      5.57682478    -14.52157000
  O     17.64744887      8.16442933    -12.75766959
  H     12.61412825      6.96186366    -10.79365833
  H     14.61196597      8.01130616    -11.54303026
  O     13.95809056      7.74563620     -9.83678834
  H     16.28466534      9.81910615    -15.23777214
  H     15.84641781      8.27488099    -12.46439511
  O     14.72486216      9.51798412    -16.25676897
  H     16.79163860     10.70934622    -14.08071381
  H     14.86775228     10.85601508     -9.81953654
  O     13.86433915     11.86247390    -15.07134752
  H     17.56861980      8.79879930    -13.48330716
  H     13.57021641     10.70200444    -10.63321361
  O     16.16163217      5.55873337    -17.24210001
  H     17.58765977      7.27496383    -13.13165260
  H     13.95658265      4.66933401    -13.45929513
  O     11.18889411      8.65573881    -13.06055936
  H     14.73811232      7.36551239     -9.41555037
  H     13.28022049      3.55397863    -12.63541101
  O     16.10811594      5.01380047    -11.26408452
  H     13.94727490      8.69854578     -9.65975234
  H     13.93794025      9.81409573    -12.54910823
  O     13.37778993      7.74411071    -14.61940764
  H     14.21295570      8.86574746    -15.75828739
  H     12.43593969     10.06271081    -12.72794325
  O     14.65679156      5.33501133    -14.96614716
  H     14.38357663     10.38888314    -16.01127867
  H     16.32508537      5.96179755     -9.83191833
  O     17.22131079      5.62720168    -13.78936274
  H     14.61377277     12.36144260    -14.73742820
  H     16.64321702      6.01251805     -8.31813413
  O     14.88410404      8.30213000    -12.42276789
  H     13.47474873     11.45046102    -14.28749828
  H     19.66018762      5.50775009    -16.36900670
  O     13.97023959     10.50023984     -9.78030211
  H     16.07763070      6.41984077    -17.66992176
  H     18.75197456      6.75600749    -16.25683499
  O     13.61315574      4.44701254    -12.57795476
  H     17.08164309      5.50181636    -16.95625277
  H     17.29496153      8.10672438     -9.65057092
  O     13.27733860     10.52358062    -12.61590302
  H     10.23688007      8.67035135    -13.10220906
  H     17.81935690      8.61584374    -11.00969230
  O     16.37670040      6.55181677     -9.05769914
  H     11.43333840      7.92003021    -12.46829169
  H     15.86705660      8.58999625    -19.10911810
  O     18.79507483      5.79670959    -16.09228009
  H     15.22731054      4.78638915    -11.58425563
  H     15.55380835      8.74068887    -17.60255139
  O     17.67669833      8.87606785    -10.08803296
  H     16.64483082      5.14440697    -12.05602413
  H     16.29684811     11.71650975    -11.92557298
  O     16.09304299      8.25067390    -18.24685058
  H     12.50138351      7.99812517    -14.31087576
  H     15.01856590     11.49871264    -12.73595822
  O     15.94092876     11.76367698    -12.82319779
  H     13.96228935      7.85879280    -13.85084285
  H     17.73218910      8.42005304    -17.29303525
  O     18.43721688      8.43249357    -16.63251393
  H     15.09931125      5.29985080    -15.82702397
  H     18.16451141      9.08128106    -15.97240959
          69
 Energy    -249.75732393858698     
  O     13.20746560     10.57402798    -16.33979771
  H     13.43578182      9.75592482    -16.79631260
  H     18.21101180      5.98921718    -13.19386216
  O     14.76267610      6.55682016    -11.68753642
  H     14.01985702     11.09321672    -16.30253246
  H     17.31242356      8.91663613    -16.81025134
  O     17.63627052     10.06940281    -11.69283818
  H     15.56670259      6.81966438    -11.21922131
  H     15.83473999      8.85672657    -17.30739415
  O     18.78917510      8.04275940    -16.03118586
  H     14.04441203      7.12533016    -11.37508363
  H     14.49823460      7.77078350    -14.52030364
  O     13.18636198      6.73380362    -15.35089105
  H     16.99721725     10.37334858    -12.35414252
  H     15.08720009      7.62556545    -13.10889078
  O     14.17828593     11.55579278     -9.56521260
  H     17.48151838     10.58835582    -10.89382694
  H     12.08849420     10.67054285    -15.02365932
  O     12.84039475      8.42256322    -11.00919840
  H     19.60985430      8.01040601    -16.51617333
  H     10.73428993     11.21232080    -14.50600775
  O     15.75299141     10.70803446    -13.59203437
  H     19.00676224      8.36234351    -15.13705742
  H     16.53945786      8.18271326     -9.05224365
  O     13.45412505      9.05268135     -8.34075170
  H     13.59786426      5.95923667    -14.94144315
  H     16.50199816      9.63967656     -8.56435149
  O     17.17785557      6.20165492    -14.64789866
  H     12.51345317      7.07666014    -14.74280195
  H     11.84722494      7.96184185    -12.60712774
  O     14.68690336      4.84787426    -13.96629153
  H     13.81307127     10.80904895     -9.07527929
  H     11.41960417      8.86077123    -13.77934218
  O     18.80300664      6.03304870    -12.42386503
  H     13.83906728     11.47198431    -10.46701202
  H     19.36208460      7.80879977    -13.01832046
  O     16.59743640      9.43744058    -17.19455027
  H     12.92016340      8.56023682    -10.05717196
  H     18.87968523      9.26099308    -12.85445623
  O     15.22068321      8.07400981    -13.95653838
  H     13.05785614      9.27119347    -11.42127355
  H     17.30604614      8.39195078    -11.04835802
  O     11.50030566     10.70670528    -14.24802165
  H     15.58039030      9.77532227    -13.80295290
  H     17.78557944      6.92237424    -11.13375530
  O     16.15599172      8.75815886     -8.37736331
  H     15.81901174     11.18311477    -14.42803577
  H     17.21210348     12.12721943     -8.83956980
  O     11.54584203      7.93853278    -13.52336866
  H     13.10079169      8.83254459     -7.48324673
  H     15.91424102     11.52233218     -9.42615324
  O     19.36869261      8.67385197    -13.44543359
  H     14.41142196      8.87569638     -8.30455116
  H     14.21920119     10.92008338    -12.65396771
  O     17.16738427      7.50687420    -10.67929285
  H     16.51622695      6.87047353    -14.41468232
  H     12.67929096     10.95699231    -12.83277171
  O     16.87257020     11.37896009     -9.32295678
  H     17.76308618      6.64321651    -15.27538013
  H     16.16765151     12.52609745    -16.63421651
  O     13.38082511     10.92367155    -12.17087121
  H     14.64941567      5.26471648    -13.09324280
  H     16.14939966     10.97633588    -16.58525821
  O     15.78669573     11.78364080    -16.17446647
  H     15.57838197      5.01899245    -14.29091926
  H     13.76625420      7.73255244    -18.32365189
  O     14.08541627      8.09710309    -17.50184095
  H     19.24991819      5.19229138    -12.37049838
  H     13.72781806      7.53551367    -16.79209093
          69
 Energy    -249.75680962287356     
  O     16.66028140     10.30971789    -15.23702147
  H     17.54035777      9.90777264    -15.19857044
  H     17.36717347      4.79570921    -14.91296422
  O     16.77951655     13.09839374    -15.01430651
  H     16.75032332     11.26925284    -15.28781967
  H     15.88402409      8.19190245    -12.19661041
  O     14.58308844      8.52378375    -15.72803159
  H     16.63632253     13.80601709    -15.63671964
  H     15.25711572      6.83072722    -12.54726877
  O     19.02409276      8.96321973    -14.83592635
  H     16.15730300     13.24030659    -14.27724546
  H     18.72594543      7.70545808    -16.20539829
  O     20.62732008     10.69877084    -13.32932288
  H     14.90922713      7.95612898    -16.43769187
  H     18.52523216      6.18286009    -16.11236758
  O     18.48109262      7.00107253    -12.92672957
  H     15.27524173      9.18180407    -15.57242315
  H     17.37766295     13.61833016    -10.02448090
  O     11.83677077      7.67666458    -12.43251237
  H     19.67126272      9.55372292    -14.43184212
  H     17.26152383     12.15336248    -10.50618965
  O     15.21303460     13.38976251    -12.82876282
  H     18.80615920      8.29681128    -14.16651908
  H     16.77819916      6.88443825    -17.30520569
  O     12.31752785      9.71135369    -14.48430059
  H     21.50951770     11.05517182    -13.38661070
  H     15.80248244      6.64439611    -18.48181806
  O     13.53174526     11.14675844    -12.47461831
  H     20.02139241     11.45650383    -13.24029051
  H     16.32002022     10.10566379    -13.47447877
  O     12.70275439      9.49832577    -10.46133915
  H     17.59131227      7.01935712    -12.54473058
  H     16.56724471     10.19382321    -11.91352568
  O     18.32427840      4.85111784    -14.73914737
  H     18.52994389      6.20239423    -13.46572562
  H     18.23581332     12.90340567    -13.81922550
  O     15.90420621      7.24875645    -11.96630145
  H     12.13466727      8.23475773    -11.69797816
  H     18.36829542     12.90484997    -12.28460166
  O     18.41999694      6.93783354    -16.70520454
  H     11.00573322      7.29184080    -12.16289557
  H     18.16179028      9.93688686    -10.49107089
  O     17.20314190     13.08176720    -10.79332546
  H     14.51222384     12.74092309    -12.68441625
  H     16.71657109      9.83450543     -9.87032309
  O     15.83894010      6.76988229    -17.53750556
  H     15.80183925     13.33547775    -12.06525764
  H     14.20544560      7.24325377    -14.47104886
  O     15.95163677      9.91552614    -12.60310021
  H     13.01915657      9.34214841    -15.03790715
  H     13.20821659      6.79913337    -13.36924934
  O     18.84976314     12.71646269    -13.09898403
  H     12.01769533      8.98870348    -13.92109486
  H     19.25688135      8.25368827    -11.72797396
  O     17.36634271     10.43932489    -10.25600786
  H     13.03539590     10.80204798    -13.23167561
  H     19.98182307      9.60327844    -11.89183004
  O     13.99812382      6.52734471    -13.85072367
  H     14.40238079     10.71669583    -12.50476735
  H     15.57599151      7.95476933    -10.23009913
  O     19.49748155      9.06186276    -11.25691832
  H     12.96632843     10.17218633    -11.11211801
  H     14.47021207      8.90721792     -9.76741834
  O     15.37062813      8.62921523     -9.56757566
  H     12.18721137      9.94870463     -9.79627294
  H     15.03748149      5.28670433    -14.78498083
  O     15.68570762      4.88493935    -15.37829805
  H     18.65610231      3.95744731    -14.73939266
  H     15.64968173      5.40603885    -16.19024740
          69
 Energy    -249.75640063311852     
  O     17.50059047      9.13397030    -10.47962546
  H     16.57990575      9.32386168    -10.71447257
  H     11.73620572      9.43585433     -8.46180369
  O     16.64598226      3.17305411    -10.24644876
  H     17.91258872      8.82351791    -11.29489576
  H     17.03092833      6.59288755     -4.16681112
  O     14.57931121      5.63036567    -12.20855400
  H     15.68683337      3.19359189    -10.34465881
  H     16.40263701      7.12501734     -5.47420375
  O     13.37473871      7.44342553    -10.51118072
  H     16.99192474      3.81083405    -10.88344621
  H     14.26649348      8.94907937    -10.94696342
  O     18.14781848      7.90650130    -13.01229287
  H     14.21892602      4.86393299    -11.74408560
  H     14.61829283     10.41740105    -10.61771036
  O     13.80212560      3.49267682    -10.50198577
  H     15.53976772      5.57049360    -12.09666976
  H     17.75381139      6.12312045    -12.32704739
  O     18.70770350      5.62203877     -7.09643160
  H     13.89242839      7.25364057     -9.71265602
  H     17.42365024      5.79086855    -10.86660222
  O     13.48660375      4.36899190     -7.94072780
  H     13.69388738      6.82711477    -11.18320763
  H     15.18603451      8.76766740    -12.82690919
  O     17.51409549      6.61040367     -9.32909783
  H     17.21612621      8.00973964    -13.27756881
  H     15.02907562      7.28506369    -13.23729811
  O     14.95322867      6.69011044     -8.44187921
  H     18.67640378      8.15789828    -13.76497018
  H     12.81599102      8.76010297     -4.70866885
  O     15.53777101      8.38195019     -6.41182828
  H     13.22095179      2.75157561    -10.65483544
  H     13.87272640      8.53181027     -5.81557425
  O     12.28257404     10.05576005     -7.96382430
  H     13.63929880      3.78851157     -9.58929509
  H     11.77534315      7.75532257     -9.86657527
  O     16.81686257      6.34840975     -5.06384340
  H     18.16700183      5.88263523     -6.34083037
  H     10.23960932      7.91477821     -9.97807341
  O     14.83802752      9.68609446    -11.20751558
  H     18.46902305      4.70466113     -7.28771871
  H     15.83651791     10.82425592     -8.35978712
  O     17.34190105      5.45125266    -11.77364248
  H     12.81000909      4.96910937     -7.59246824
  H     17.09092680     10.03157779     -8.77002130
  O     15.46946716      8.10907926    -13.47612335
  H     14.10673732      4.14480346     -7.22933670
  H     15.89683590      4.77451839     -5.71366374
  O     12.91816556      8.55255152     -5.63404057
  H     18.06169883      6.38317231     -8.56468495
  H     16.24660227      3.60642508     -6.65340892
  O     10.96709072      7.95746242     -9.36324728
  H     17.63469437      7.53676490     -9.57548243
  H     11.36535995      6.83135808     -7.85069952
  O     16.59648962     10.34576302     -8.00406139
  H     15.85254727      6.54896441     -8.77219572
  H     12.12451301      7.02603141     -6.53085821
  O     15.51782817      4.01176634     -6.16532560
  H     14.54987970      5.83695371     -8.24116647
  H     13.51987254     11.01135675     -8.71646491
  O     11.76213312      6.34944424     -7.11491683
  H     15.97498313      9.12931322     -6.84360942
  H     13.98835018     12.42449367     -9.13746570
  O     14.23694462     11.50416285     -9.15436136
  H     15.27925191      7.77507577     -7.12502483
  H     17.33245895      3.08023366     -8.64136810
  O     17.68229385      3.03897647     -7.73421284
  H     12.45537582      9.62688653     -7.11693991
  H     18.13134122      2.20122612     -7.65527448
          69
 Energy    -249.75584644854624     
  O     13.27268530      7.17281964     -8.31307440
  H     12.51743354      7.24642208     -8.91641404
  H     11.64341744      7.55716474    -15.15662479
  O     13.65293519      5.17429888    -15.92938266
  H     12.91174395      7.06138539     -7.43635728
  H     16.60816091      8.36469631    -12.25329256
  O     17.02837222      6.39336522    -14.77958766
  H     14.29024205      5.68044238    -16.44774457
  H     15.37834753      8.14039441    -13.15940162
  O     15.49392587     10.76251658    -14.50659557
  H     14.17909152      4.65809464    -15.30607907
  H     13.91513107      6.57286049    -12.46570517
  O     11.23639940      5.45450648    -12.19768446
  H     16.84171477      7.18133022    -14.25155117
  H     13.15339015      7.24913886    -13.62553185
  O     17.58044422      4.15569387    -10.11837969
  H     16.65431895      6.54176411    -15.65719721
  H     18.44093051      5.59269681    -13.89977154
  O     16.95003645      7.78337934    -10.55926757
  H     16.14796433     11.45652562    -14.49386153
  H     18.61351708      4.27918900    -13.11406181
  O     12.72078090     10.80324492    -13.79239876
  H     15.85789181     10.02382003    -13.98949765
  H     14.34232504      4.52085832    -12.58201748
  O     17.47398903      2.84107609    -12.49867906
  H     11.25458964      5.88193804    -13.06591989
  H     12.92829108      4.87041768    -11.95808883
  O     14.42401804      9.15312163    -16.60885543
  H     11.14398926      6.15845125    -11.54621610
  H     15.21032345      7.67735059    -17.01438916
  O     11.68854394      9.31685697    -15.80891027
  H     18.24394111      4.84791066    -10.22567099
  H     15.89637606      6.80904812    -18.09758763
  O     11.78184180      6.73326516    -14.67500893
  H     16.77748878      4.60557146     -9.82315737
  H     16.10613954      3.59508357    -13.52265947
  O     16.26975239      8.52688672    -13.14349245
  H     17.83682621      7.40450573    -10.60385520
  H     15.98639332      4.96793165    -14.21648116
  O     13.82875698      7.40240106    -12.95216111
  H     16.36694548      7.06190645    -10.27992063
  H     20.25729639      6.44402092    -10.66480597
  O     19.02594790      5.13553540    -13.28019374
  H     13.65873114     10.91567255    -13.99164132
  H     19.28127495      5.94558444    -11.75679673
  O     13.88407005      4.86173387    -11.80181752
  H     12.67989722     10.47232381    -12.88568723
  H     11.69596631      8.32647470    -10.60960099
  O     15.64433275      6.82056064    -17.17826744
  H     17.46950771      3.24640997    -11.61297999
  H     10.31705725      7.95982718    -10.01560375
  O     15.47796304      4.18588948    -13.95734089
  H     17.71826572      1.92713979    -12.38051947
  H     14.64448143      6.12926085     -9.08313144
  O     19.33212946      6.32282199    -10.85986919
  H     14.82767936      9.75966216    -15.97650442
  H     14.78944611      5.33459325    -10.40245952
  O     11.19403589      7.61688905    -10.17239394
  H     13.47429967      9.18399700    -16.44243023
  H     14.40905526      8.68708264     -8.90836777
  O     15.29161506      5.71455023     -9.66335505
  H     11.97791995      9.87955851    -15.06773313
  H     15.66239304      8.97041346     -9.75981251
  O     14.84306940      9.36729952     -9.43709132
  H     11.00104949      9.79463438    -16.26531851
  H     13.21410833      8.72273541    -11.94483083
  O     12.87438368      9.41658069    -11.35755104
  H     12.34971257      6.15491478    -15.21005604
  H     13.56373177      9.57283567    -10.69556363
          69
 Energy    -249.75569957987869     
  O     10.36268986     12.14867676     -9.24083458
  H      9.70459989     12.44968507     -8.62002402
  H     12.39451222     12.43532764    -11.49040791
  O     12.72444540      9.99152914    -16.83477459
  H     11.13031051     11.85877942     -8.71598361
  H     14.41625082     13.51761953    -14.11314856
  O     10.47999197      9.57238776    -10.56857193
  H     13.17371274     10.85562676    -16.87166227
  H     15.96554045     13.61817311    -14.16685429
  O     13.02818075      9.30744456    -14.14542809
  H     12.82864261      9.58945516    -17.69263032
  H     17.87733780      9.42862378    -11.68025706
  O     15.18363128     12.12131477     -7.61470629
  H     11.34022448      9.27606912    -10.25099239
  H     16.61635054     10.19701107    -12.13323516
  O     13.80503381     12.47480014    -16.79928769
  H     10.29785004     10.39345231    -10.09388052
  H     12.82246513      6.66212860    -12.26395267
  O     10.83366820     10.63947559    -13.08452428
  H     12.27779114      9.78311714    -13.75836440
  H     13.19873900      8.02908049    -12.85666528
  O     13.27278161      9.05689937     -9.81267122
  H     12.96037450      9.41389098    -15.10240970
  H     15.68374387     15.37583026    -12.34989983
  O     13.83173575     11.47698113    -11.17970170
  H     15.21002944     12.74214484     -8.36331026
  H     14.14819224     15.29910035    -12.43449807
  O     12.52387126     11.11516754     -7.95957726
  H     15.61176195     12.55516783     -6.88127364
  H     12.36173444     13.97436112    -12.90094413
  O     17.61282037     12.92330810    -11.18798666
  H     13.06557029     13.07983172    -16.66127046
  H     12.39324004     14.37425178    -14.39944043
  O     11.57723017     12.93091376    -11.66375970
  H     14.43385164     12.67053059    -16.09200872
  H     14.68322426     12.81945670    -10.35204504
  O     15.21353024     13.08401913    -14.45179972
  H     10.59103193     10.11173169    -12.31087076
  H     15.02002186     14.33047053    -10.46755958
  O     17.25859714     10.10311461    -11.40963001
  H     11.04062985     11.51373569    -12.72828374
  H     15.37087400     11.43687882    -13.78622083
  O     13.27029561      7.48039278    -12.06077918
  H     13.29986182      8.43408057    -10.55397518
  H     14.60712546     10.07686908    -13.67587597
  O     14.87759638     15.50472959    -11.83571331
  H     14.17609888      9.12505581     -9.46192162
  H     11.05845985     13.11116291    -15.88916807
  O     12.90619029     14.39531332    -13.58210364
  H     14.36460493     11.19941268    -11.93480847
  H     10.89991989     14.52875778    -16.48805940
  O     15.16593728     13.54294014     -9.92463907
  H     13.61285299     10.68246176    -10.67802910
  H     16.33736419      9.83845584     -9.74687064
  O     15.35264508     10.58392968    -13.32731902
  H     13.38185378     11.49653289     -7.73834957
  H     15.72135762     10.47256049     -8.47072517
  O     11.49627952     13.97531416    -15.99088666
  H     12.71433791     10.29196714     -8.42578751
  H     17.46053055     14.00253821    -12.54376918
  O     15.78282555      9.65433441     -8.97866540
  H     16.84369144     13.15229376    -10.64849665
  H     18.02574756     15.08689627    -13.49378990
  O     17.23263944     14.60654702    -13.27369026
  H     17.62334847     11.96072820    -11.23869165
  H     11.11108020     10.88031788    -16.19588968
  O     10.48991486     11.46228598    -15.74218146
  H     11.05009502     12.84545640    -10.86066960
  H     10.44004372     11.13689068    -14.83294190
          69
 Energy    -249.75525187085071     
  O     21.57160967     12.53045218    -17.45637064
  H     21.60183485     13.47286682    -17.21136072
  H     18.62046534     11.69779968    -18.33916536
  O     16.39933851     16.41437579    -14.74010725
  H     22.43636329     12.30556874    -17.78918612
  H     17.04090208     17.98926492    -17.28878433
  O     20.93753092     16.43607283    -14.29046433
  H     15.86613853     16.75277920    -15.47041727
  H     18.24719267     18.28021149    -16.37186357
  O     14.35357234     12.35096505    -14.51751558
  H     16.95139133     15.71421195    -15.12508569
  H     16.25786467     10.18343859    -13.03806231
  O     17.85355290     10.86903603    -16.84368867
  H     21.58460892     16.92808330    -13.78983221
  H     16.03867076      9.50111725    -14.40107751
  O     17.64648544     10.37395271    -11.79623315
  H     20.14978592     16.99803071    -14.35104668
  H     18.54690691     13.35937334    -12.57298141
  O     17.20683978      8.47773587    -15.52817286
  H     14.79217112     11.53190770    -14.22276910
  H     17.05189727     13.52332312    -12.21545525
  O     21.52017299     15.15851478    -16.83193727
  H     13.41489738     12.19895004    -14.44587600
  H     19.65101411      9.98757209    -14.31279987
  O     19.18984021     15.88344880    -18.09818684
  H     18.58302423     11.13272456    -16.26400311
  H     18.76421069      9.61356659    -13.10095055
  O     15.60213810     14.36999900    -12.90082600
  H     17.57119039      9.99699003    -16.54376033
  H     15.59462760     14.16796625    -17.98608934
  O     19.67117399     13.90946643    -13.94097687
  H     17.61395776     10.13736627    -10.87364657
  H     16.33430544     14.79727843    -19.17906473
  O     19.12110036     12.27590054    -18.92888247
  H     17.73663491     11.34430885    -11.83276222
  H     17.80090650     17.46204495    -14.42603750
  O     17.98156512     18.21150024    -17.29554932
  H     17.96174116      8.65263212    -14.93513834
  H     18.41230618     18.76146321    -13.86213073
  O     15.62842379     10.09930877    -13.76614354
  H     17.20871447      7.54255468    -15.71044973
  H     15.38428593     16.43618663    -17.69890023
  O     17.85436052     13.03321201    -11.98555947
  H     20.77375277     15.47392407    -17.36411626
  H     14.48557183     17.67494088    -17.48021917
  O     19.20330467      9.24766754    -13.88039919
  H     21.42494568     15.58535347    -15.97462894
  H     20.68993066     11.76670768    -16.00524680
  O     15.61528919     14.95035115    -18.55491267
  H     18.78713456     15.49767728    -18.88477679
  H     20.01353985     12.30320483    -14.72249972
  O     18.60306775     18.01181850    -14.42161527
  H     18.79646851     16.75411996    -17.94096916
  H     18.38170555     14.93885784    -16.73299454
  O     15.28701823     17.25550189    -17.17986781
  H     15.13129365     13.73246716    -13.45161457
  H     17.27347836     13.92724829    -16.27559306
  O     20.10088345     11.51883308    -15.28162556
  H     15.76163705     15.14371309    -13.45389196
  H     18.04139274     14.32839237    -21.06046397
  O     17.96070247     14.53143868    -15.96533004
  H     19.03209759     14.08488747    -14.65146823
  H     18.34324083     13.59616713    -19.73097471
  O     17.93836159     14.39557178    -20.11528695
  H     20.22524318     14.69495679    -13.89687571
  H     15.33195670     12.68366214    -16.02157273
  O     15.92324859     12.83749085    -16.76961433
  H     19.98857362     12.37734977    -18.51908892
  H     16.51748442     12.07638336    -16.83400876
          69
 Energy    -249.75507881355620     
  O     13.25717956     13.04823622    -13.13043134
  H     14.00295207     12.92671064    -13.74182915
  H     15.57893027      5.64184603    -13.16105651
  O     19.11334441      8.77454805    -13.32010980
  H     13.08313337     13.98544593    -13.09060544
  H     13.09600035      9.58253719    -17.09519404
  O     16.33581832     10.46152013    -11.61981480
  H     18.73753516      8.80095214    -14.21106131
  H     12.29595096     10.62341911    -16.25220422
  O     11.68566764     11.09444688    -14.60564026
  H     19.09855348      9.67729682    -12.98390337
  H     16.36740283      9.43499891    -14.68943035
  O     13.54572076      8.05604650    -14.15540391
  H     16.10611619     10.20960634    -12.52970141
  H     14.90628328      9.22611165    -14.18116141
  O     14.23545477      6.36150022    -12.06222528
  H     17.20302669     10.87712412    -11.67345646
  H     13.81401017     11.72384914    -17.47310348
  O     18.30763008      6.64829665    -11.86871441
  H     11.48195625     10.47003995    -13.89819461
  H     14.26513612     12.94000947    -18.32066136
  O     15.25762150     12.44916953    -14.91536917
  H     12.12241353     11.83266058    -14.16646419
  H     13.62167478      9.64573887     -9.80809126
  O     16.49996870      6.26881309    -16.29014649
  H     13.83560182      7.37763365    -13.53163413
  H     14.56495410      8.44057393     -9.60898824
  O     16.09818549      7.88432099    -10.62646092
  H     12.85280253      8.54902044    -13.69794584
  H     17.35955214      9.30479788    -16.45800182
  O     16.22056945     10.06959090    -17.57665175
  H     13.39203222      6.42774172    -11.59950073
  H     17.42407450      7.85316127    -15.93454176
  O     16.38751305      5.56300369    -13.68276027
  H     14.86621546      6.89208565    -11.55241170
  H     17.07462477     12.64671212    -14.76529714
  O     12.72189493     10.46986929    -17.10927530
  H     19.07467025      6.19174221    -11.53374312
  H     18.32713977     12.26929672    -15.56587593
  O     15.65975706      9.82996359    -14.16518692
  H     18.63447713      7.41085391    -12.38005038
  H     19.53996224     12.01278688    -11.94934518
  O     14.52367773     12.38449186    -17.59139064
  H     15.34188693     11.50442859    -14.70980391
  H     18.60065169     11.90914420    -13.17310815
  O     13.68830543      8.78015893     -9.38521269
  H     14.99495221     12.51964747    -15.84310573
  H     14.61092768     10.90321781    -11.25340472
  O     17.72005432      8.75362893    -15.74561211
  H     16.80930764      5.52344035    -16.79819714
  H     13.45303420     11.80468824    -11.71948140
  O     18.03827762     12.56632113    -14.70473058
  H     16.42906841      5.96723133    -15.36658722
  H     12.41530437      9.90477916    -11.95752827
  O     18.86038202     11.47222976    -12.34344701
  H     16.88552290      7.40068206    -10.90573286
  H     11.64041034      8.56956226    -11.84249109
  O     13.65577010     11.03802674    -11.16888062
  H     16.22662059      8.79463441    -10.93067764
  H     12.49540657      7.69415144    -10.06571156
  O     11.78447045      9.33071495    -12.41655952
  H     15.52429681      9.42373781    -17.38821419
  H     11.29489452      6.71678289    -10.01002561
  O     11.91144875      7.13162092    -10.60700914
  H     15.76518071     10.90973090    -17.69263964
  H     13.93053639      8.02243598    -15.92165901
  O     14.31165689      8.05888803    -16.81192158
  H     17.09963790      5.85879403    -13.10238282
  H     14.99277599      7.37555589    -16.80825956
          69
 Energy    -249.75498287952422     
  O     14.06130501     11.58509372    -16.38699765
  H     15.00530502     11.78262297    -16.41498519
  H     15.82948421      4.95863423    -14.21491028
  O     15.79570332      6.24341093    -12.88396367
  H     13.80707264     11.53864787    -15.45721298
  H     15.45549183      9.59240087    -18.43664166
  O     19.25119500      8.62299896    -13.51552226
  H     15.28846403      6.87124881    -12.35215124
  H     16.75149912      8.82090066    -18.10669387
  O     17.11888992      7.21141423    -17.24764630
  H     16.70375774      6.23896799    -12.55258533
  H     15.89648989      7.44907733    -14.23731487
  O     14.93793847      5.34625502    -17.23834610
  H     19.46214248      8.10637258    -14.30819974
  H     15.00127262      8.04818633    -15.35421988
  O     17.21693398     10.93386231     -9.97327026
  H     18.62193801      9.30178298    -13.79393877
  H     14.09019592     11.21212749    -13.11739743
  O     14.41807960      8.29315944    -11.64155184
  H     16.50164220      6.50826906    -17.47824179
  H     12.71900898     11.91697796    -13.20363986
  O     17.23587429     10.35684162    -14.36486484
  H     16.78813138      7.55174549    -16.40110962
  H     17.63128772      7.41642915     -9.46070901
  O     18.90124567      4.48004893    -14.28898732
  H     14.65019401      4.61049948    -17.77181521
  H     18.73320978      6.62558403     -8.71444525
  O     16.14632839      8.32373899     -9.40840059
  H     15.33669178      4.96707750    -16.43326988
  H     12.73655212      8.12260721    -14.54918415
  O     19.47664354      6.93198994    -15.68513330
  H     18.01913704     10.48411702    -10.29576697
  H     12.70715514      9.46537154    -13.79007621
  O     16.10940745      4.43783097    -14.98073179
  H     17.50628799     11.62170665     -9.38015332
  H     18.56304902      6.41117791    -11.27732379
  O     16.41356998      9.68613812    -18.37305707
  H     14.86283926      9.12794271    -11.84167235
  H     18.75390834      7.10814923    -12.65855318
  O     15.87435739      8.10615713    -14.94478226
  H     13.66831367      8.24868938    -12.25352589
  H     19.46140906      9.25109773    -11.74693841
  O     13.30309060     11.32708978    -13.67503640
  H     17.22887795     10.93013077    -15.14020005
  H     19.23578966      8.63982035    -10.34632392
  O     18.51545496      7.01764947     -9.55536584
  H     16.72534684      9.56289252    -14.59925076
  H     13.65932873     10.36403560    -17.53436023
  O     12.57348048      8.51571062    -13.68295449
  H     19.51313751      3.78283909    -14.06561241
  H     12.92314913      9.91677154    -18.82148458
  O     18.50300042      6.27523532    -12.23088092
  H     18.80372487      5.02942095    -13.49279754
  H     16.09988522     10.97519635    -11.43156163
  O     19.34248136      9.47658764    -10.81496753
  H     15.43535726      8.20357407    -10.05121332
  H     16.21811555     10.71495623    -12.95994358
  O     13.54480127      9.62472955    -18.16031662
  H     16.40859576      9.25062718     -9.47201768
  H     16.79891188     11.04545958    -17.36487776
  O     15.58590671     10.81372875    -12.23180300
  H     19.37303224      6.03917463    -15.33494398
  H     17.39984449     12.46104975    -17.18964737
  O     16.90031182     11.78596178    -16.73873664
  H     18.79189160      7.02310321    -16.35984523
  H     13.86822576      6.78216116    -16.61384671
  O     13.48407917      7.58747710    -16.24285194
  H     17.06192909      4.33218106    -14.87553836
  H     13.43192391      8.23637003    -16.95783980
          69
 Ord_Energy   -249.754776    
 O   -3.71995163       5.83578157       6.46957731    
 H   -3.87567139       5.64075851       7.40516186    
 H   -4.58412743       5.90852404       6.04678106    
 O   -3.38998389      0.516219676       8.08218575    
 H   -4.11562538      0.935491800       7.58837509    
 H   -3.77252913     -0.194020540       8.59077454    
 O    1.16549742       4.96648979       9.60308743    
 H    2.10268068       4.79414940       9.57182407    
 H   0.774160683       4.52597237       8.82854939    
 O   -1.82998669      0.918489575       5.74725294    
 H   -2.22264600      0.584342837       6.56107426    
 H   -2.15598679       1.82877195       5.64923382    
 O   -2.27817726       2.96533656       9.02898216    
 H   -1.55819607       3.21688032       8.43137074    
 H   -2.58230376       2.08726096       8.77737617    
 O   -3.04089046      0.515120685       3.25067830    
 H   -3.97531605      0.676848650       3.42502999    
 H   -2.60093760      0.491782039       4.11164522    
 O   -5.77049160       3.96470976       3.34240341    
 H   -4.87497091       4.12786579       3.01283956    
 H   -5.84092140       3.01070595       3.45593858    
 O  -0.885629058       5.60112906       3.56390285    
 H  -0.260474861       4.87497902       3.45733547    
 H  -0.813408852       5.90210819       4.47937632    
 O   -1.01040447       6.28314781       6.30254650    
 H   -1.97833991       6.25454950       6.29852295    
 H  -0.758396804       6.75572729       7.10914946    
 O   -5.16635942       1.92822528       6.53151751    
 H   -4.45256472       2.43545985       6.11377621    
 H   -5.71878624       2.56874609       7.00364971    
 O   0.693733156       2.11385441       5.57651567    
 H   0.720497251       2.45699859       4.67519951    
 H   -7.28003904E-02   1.52520955       5.61491871    
 O   -2.56483364       6.65304852       10.7465973    
 H   -2.05297351       5.86663485       11.0097208    
 H   -2.72402716       7.15634251       11.5407085    
 O   -4.13701677       5.02865410       9.07192898    
 H   -3.74365783       5.67501163       9.67097282    
 H   -3.54328990       4.26279688       9.07069206    
 O   -3.07949924       3.34874249       5.40954828    
 H   -3.21544862       4.19675303       5.85055923    
 H   -3.07983470       3.53901887       4.46253967    
 O  -0.165672109       3.88856006       7.46308851    
 H  -0.458958358       4.68038464       6.99173832    
 H   0.209580511       3.27331996       6.81738710    
 O   -1.59487343       2.03146601       1.56800961    
 H   -2.10117626       1.42589939       2.14023352    
 H   -1.68007362       1.70347881      0.676820457    
 O   -1.11702287       4.39157152       11.1848650    
 H  -0.243222535       4.55929756       10.8080063    
 H   -1.53710747       3.75917077       10.5863180    
 O   -3.06009984       4.18514824       2.73407888    
 H   -2.63650680       3.50122762       2.20401192    
 H   -2.36687994       4.82063961       2.97519588    
 O   -6.43604136       4.01140547       7.73477936    
 H   -5.77139807       4.39653587       8.32175922    
 H   -6.51804972       4.61702347       6.98674631    
 O   -6.30636549       5.66696119       5.38650846    
 H   -6.90142965       6.34381723       5.07512140    
 H   -6.16084862       5.05854082       4.64043999    
 O  -0.446404368       7.23167562       8.83687115    
 H   -1.19898057       7.16700077       9.43647003    
 H   0.203155175       6.60012817       9.16984940    
 O   -5.75681591       1.13144064       3.96866202    
 H   -5.65241432       1.32514131       4.91526604    
 H   -6.52369976      0.569266617       3.88669443    
 O   0.577741325       3.17243743       2.93062711    
 H    1.33012700       3.21237206       2.34369731    
 H  -0.138512075       2.74887753       2.43282413    
          69
 Energy    -249.75465753614401     
  O     16.38867035     10.48479813    -14.86975997
  H     17.26307458     10.12053608    -15.06903718
  H     14.38180612     10.35283129    -12.16758572
  O     15.62094498      6.43045373     -9.37435529
  H     16.39291201     11.43628756    -15.02323984
  H     13.18430715     10.22731385    -10.50627506
  O     16.26398404     13.27277209    -14.93849017
  H     15.90815024      6.59593154    -10.29026199
  H     12.51671979     10.40212481     -9.12329681
  O     13.00710039      7.10570406    -10.28495255
  H     16.11641096      5.67942489     -9.05938839
  H     17.33041189      4.24844281    -15.29970947
  O     14.86576989      8.37140984    -15.77480271
  H     15.91341416     13.90916471    -15.55483256
  H     16.43376168      5.38674498    -14.76610133
  O     18.78677308      9.15503271    -15.18661307
  H     15.68011742     13.28036102    -14.15702814
  H     16.09868377      8.03736499    -12.00185274
  O     20.33047423     11.00792194    -13.73652116
  H     12.95752953      8.03476882    -10.02880748
  H     15.72770743      6.68374133    -12.66740032
  O     18.62134046      7.04225099    -13.33077745
  H     13.81976948      6.77006173     -9.88742002
  H     17.84639011      8.04473322    -16.52100725
  O     12.43838174      6.35066054    -12.82657130
  H     15.54305274      8.00354874    -16.36051325
  H     17.35539340      6.59211711    -16.43013627
  O     14.83573575     13.14308851    -12.65077136
  H     15.26559178      9.18464164    -15.43408698
  H     17.22263828     13.75607644    -10.11752838
  O     12.57000687      8.93831334    -14.12222767
  H     19.41381983      9.79217351    -14.82153679
  H     17.33465888     12.27715383    -10.55405181
  O     13.47108658     10.68914418    -12.18429909
  H     18.73228406      8.43460913    -14.54181467
  H     16.22990339     10.06971055    -13.15710878
  O     13.14802523      9.87113415     -9.60223152
  H     21.19162224     11.39427600    -13.87211089
  H     16.65736181     10.13067602    -11.64041248
  O     17.32931193      5.17679828    -15.07956224
  H     19.71523047     11.74514876    -13.57395067
  H     17.87013076     13.18310005    -13.94100258
  O     16.22380723      7.07738528    -11.93832410
  H     17.84770627      7.07914330    -12.74923554
  H     18.13604204     13.12505166    -12.42912844
  O     17.22179149      7.41889949    -16.90885198
  H     18.42908790      6.31932692    -13.93947213
  H     18.44144518     10.07095294    -10.58904767
  O     17.07659203     13.16679481    -10.85313326
  H     12.62747136      6.61291817    -11.90808477
  H     17.16327787     10.09793934     -9.64492594
  O     16.02305887      9.75858270    -12.26473643
  H     11.62422968      5.85443525    -12.80667086
  H     14.85298583      6.91181673    -14.72623590
  O     18.55755532     13.00259016    -13.28827129
  H     14.25623025     12.38905014    -12.48346697
  H     14.00749583      6.04689728    -13.75292109
  O     17.72497598     10.61997223    -10.23848038
  H     15.50196846     13.15060171    -11.95173446
  H     19.43476811      8.37479688    -12.12470249
  O     14.87515296      6.11624270    -14.17136959
  H     13.21630004      8.78465890    -14.82227964
  H     19.94079522      9.81412473    -12.30079348
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  H     12.43090971      8.08030001    -13.70398144
  H     15.82845847      8.25865369     -8.85674592
  O     15.85009252      9.22196139     -8.81193768
  H     13.02270158     10.18333538    -12.87668347
  H     14.95151896      9.50984647     -9.01455275
          69
 Energy    -249.75464490869507     
  O      0.86073938      0.07996573      2.86406720
  H      1.40922914     -0.03915333      2.07747475
  H     -2.83071502      0.59428337      4.87629535
  O     -2.63205508      0.20121211     -3.54563558
  H     -0.05764445      0.12973800      2.55507695
  H     -0.65481949      1.57361166      5.41731873
  O     -0.16352654     -1.46781247      4.94486295
  H     -2.59300463      0.60925596     -4.40702790
  H     -1.33215616      1.38440827      6.79106493
  O     -4.46773414     -0.13649387     -1.39186424
  H     -1.87641660      0.54482648     -3.04039332
  H      0.06234929      3.13660840      2.80151704
  O     -1.89635154     -2.48094960     -2.71930090
  H      0.34528075     -1.04789950      4.23618422
  H     -1.16872301      3.50712929      1.94879132
  O      0.09419650     -1.61603212     -0.99117622
  H     -0.60152271     -0.74536606      5.40530048
  H     -3.38589474      1.01529674     -0.49335637
  O     -2.97640644      3.44819837      1.85695920
  H     -4.01758084      0.01388312     -2.23169374
  H     -1.91737509      1.43616021     -0.70899225
  O     -4.03520664     -2.48856790      3.75385381
  H     -4.18141486     -1.00984422     -1.08288052
  H     -2.38261987      0.11419386      2.78871793
  O      0.72100388      2.26731564      4.43815159
  H     -2.56462180     -2.68853801     -2.05326254
  H     -2.09056155      0.64171930      1.34592833
  O     -0.57396507      0.94718780     -1.84300060
  H     -2.20117581     -1.67496607     -3.15216237
  H     -2.84466228     -2.63597105      0.12359654
  O     -5.20110501      1.98619480      3.02580615
  H     -0.43440391     -2.00796924     -1.70157730
  H     -4.38011122     -2.74795746      0.18333524
  O     -3.45981128      0.20415460      4.25720912
  H     -0.28651746     -1.96873442     -0.17497911
  H      1.54473039     -0.66890715     -0.14314234
  O     -1.33591353      1.06945050      5.88999217
  H     -2.93069497      2.90538036      1.05516464
  H      1.83058509      0.82739331      0.12200402
  O     -0.20598181      3.40379340      1.91780867
  H     -3.72279200      3.08991797      2.34748743
  H      1.66412245      3.28830726     -0.57481632
  O     -2.67297589      1.54834793     -0.11919073
  H     -3.18412362     -2.93819163      3.80960469
  H      0.62052596      2.86438974      0.48112931
  O     -1.76286341      0.06903174      2.05028697
  H     -3.87841045     -1.57280482      4.02193523
  H     -0.94776841     -2.87286352      4.26645063
  O     -3.64193106     -2.61899583     -0.42538328
  H      0.88449209      1.49236747      3.86961121
  H     -1.08109601     -4.41166934      4.19189042
  O      2.05602332     -0.06565422      0.41165261
  H      1.57505816      2.59793994      4.70556125
  H     -1.32386060     -3.02437860      2.00734003
  O      1.10051416      2.56527397     -0.31172800
  H      0.04117674      1.57375076     -1.44070302
  H     -1.55977215     -1.58611483      1.49941802
  O     -1.40513225     -3.60078579      3.80924507
  H     -0.32240139      0.06375829     -1.53273624
  H     -6.35505992     -3.22041333      1.77111043
  O     -1.38356584     -2.49406617      1.20561255
  H     -6.00838002      2.42954151      3.27313591
  H     -5.06593353     -2.62186312      2.38421876
  O     -5.62705939     -2.63295418      1.58737864
  H     -5.43414775      1.36837503      2.30901324
  H     -5.82633990     -0.76336566      1.32300458
  O     -5.80449729      0.17324542      1.09019995
  H     -4.07587643      0.88838027      3.96141438
  H     -5.51806266      0.19709228      0.16919305
          69
 Energy    -249.75419732367465     
  O     11.67485436     10.99604762    -11.03494522
  H     12.44739292     11.32911814    -11.50815877
  H     15.47993537      6.62420951    -17.20165396
  O     13.07956548      7.74304750    -15.12396299
  H     11.01705762     10.79089700    -11.71209507
  H     17.97558883      5.94127095    -17.70438708
  O     18.25888340      9.65754932    -11.91511047
  H     12.99377058      7.10198505    -14.40495597
  H     17.61463414      7.30325094    -17.06852254
  O     17.71919184      9.04366565    -17.14972857
  H     13.49710792      7.32841449    -15.89382279
  H     16.48449766     11.75239145    -14.57045664
  O     12.24635444     10.28780607    -14.66369246
  H     18.70535071     10.01203968    -11.15013411
  H     16.37796109     13.29237937    -14.66235913
  O     16.19000872      5.69602478    -10.85504118
  H     17.30701749      9.67750400    -11.71739006
  H     16.03766366      7.39486493    -14.20710502
  O     12.97648325      6.19891640    -12.81010575
  H     17.80326518      9.54892292    -16.33256438
  H     14.75147155      8.18801319    -14.55658844
  O     15.50692044      9.55529094    -11.76461264
  H     16.88859995      9.32239214    -17.55892344
  H     11.73392331      9.56405674    -10.03367461
  O     15.16506924      9.62348582    -18.23839738
  H     11.38378931     10.25451630    -14.23406809
  H     11.34151742      8.83760562     -8.72402715
  O     14.97648993      4.24874795    -13.08341659
  H     12.49287077      9.37069349    -14.86245560
  H     18.37820568      7.70497037    -12.18532325
  O     17.47076837     10.25691553    -14.58252439
  H     15.47112211      6.28609193    -10.59375136
  H     17.63717653      6.42661445    -11.70963397
  O     14.59384373      6.99344768    -17.27946739
  H     15.79118446      5.07061577    -11.47072194
  H     10.91189252      7.82546246    -11.10649693
  O     17.43951554      6.34625282    -17.02797613
  H     13.53489796      5.42132109    -12.93297546
  H     11.29727776      6.98184921    -12.33868246
  O     15.86231779     12.49846679    -14.54488331
  H     13.35829782      6.67962523    -12.06100094
  H     17.49888233      6.05673143    -13.75265164
  O     15.63218316      8.27014225    -14.17247255
  H     14.93651052     10.30594617    -11.97581619
  H     17.15919786      5.87968417    -15.28983598
  O     11.72121361      8.69835630     -9.58719157
  H     15.54762848      9.02162872    -12.57526777
  H     14.66310269     11.84505752    -15.89075083
  O     18.28325857      6.76254963    -12.35157378
  H     14.75200993     10.25552696    -17.62387679
  H     13.33658332     11.05815044    -15.93807606
  O     10.61706029      7.57124558    -11.99017859
  H     14.96529766      9.93093195    -19.11885623
  H     14.57479342      8.28167678    -10.89161724
  O     16.83421467      5.74797733    -14.39096474
  H     15.63596152      4.72652777    -13.61689188
  H     13.29329268      7.88015924    -10.11405080
  O     14.07677030     11.35992870    -16.48196261
  H     15.06786395      3.32393008    -13.29678165
  H     14.51726563     12.02575568    -13.28162770
  O     14.05876209      7.52408787    -10.58082423
  H     16.78750408      9.56630352    -14.56404499
  H     13.30086445     11.08424833    -13.42125166
  O     13.85725438     11.54171078    -12.77164938
  H     17.96730711     10.14188616    -13.76361051
  H      9.01751328     10.01527298    -13.23988613
  O      9.95664497      9.96617164    -13.08465916
  H     14.71829331      7.86863560    -17.67119966
  H     10.14162837      9.06769083    -12.75562202
          69
 Energy    -249.75270506226011     
  O     12.06874720     10.56894230    -15.48662393
  H     12.36033723      9.78452111    -15.96505856
  H     20.15159122      8.46463522    -14.05483136
  O     16.42578949      6.84889498    -13.29151587
  H     12.76204663     11.23457612    -15.57190145
  H     15.76369239     10.32760580    -17.36043455
  O     17.21770395     10.95520461    -11.49435538
  H     17.09542215      7.25450413    -12.72031544
  H     16.82041098     11.24360278    -16.71976991
  O     18.10131247     10.75891130    -15.45148904
  H     15.58721444      6.87350261    -12.80921622
  H     16.08477231      8.50874762    -13.98893206
  O     12.71836157      7.93337021    -16.51298164
  H     16.98053291     10.96204957    -10.55804895
  H     15.62708741      9.13190088    -15.33372130
  O     13.98966053      9.59414154     -8.96442706
  H     16.45191565     11.27263063    -11.99004496
  H     10.02825430      9.99422731    -13.13356012
  O     14.09127608      7.26394318    -11.87502244
  H     17.37042432     10.29695918    -15.01612886
  H     11.29695317     10.08767452    -14.01933887
  O     14.96376952     11.49129978    -13.10676670
  H     18.63303704     11.14337928    -14.74059120
  H     17.61834331      7.91889853    -10.01873566
  O     17.06217055      6.44128356    -15.93452213
  H     12.06049231      7.52021564    -17.06674827
  H     17.06213442      8.82880273     -8.91165869
  O     14.69866740      6.80357395     -9.17982900
  H     12.56174139      7.61211976    -15.60711844
  H     11.63300645      7.97147937    -13.63760597
  O     19.33113153      8.23832251    -15.57894768
  H     14.08880409      8.63570439     -8.92187831
  H     12.81771664      7.06655075    -13.25442407
  O     20.51352927      8.67248726    -13.17451429
  H     13.62628804      9.78339934     -9.84144666
  H     18.78310450     11.37288453    -12.49889059
  O     15.96608079     11.25330943    -17.17463682
  H     14.23725003      6.97452162    -10.96545421
  H     19.96313903     10.56367375    -13.07606444
  O     15.88977913      9.34369839    -14.42846874
  H     13.85483468      8.20148412    -11.82391326
  H     19.02770264      8.37882078    -12.15428339
  O     10.93403978      9.70547034    -13.19892154
  H     14.66412954     12.06250764    -13.82163342
  H     17.80161318      9.22722980    -11.71312510
  O     17.17679273      7.90301282     -9.15890492
  H     15.26890724     10.68271831    -13.55408183
  H     16.55167317     11.24149711     -8.03909455
  O     12.17209422      7.23446905    -13.95214092
  H     16.83103620      6.47597985    -14.99038831
  H     15.54898721     10.35323124     -8.81550012
  O     19.49374399     11.40297871    -13.15337399
  H     17.20113003      5.52175819    -16.14820757
  H     15.94362831      7.71472544    -16.81079906
  O     18.15261676      8.32535019    -11.74935468
  H     15.61890978      7.12320078     -9.15104507
  H     14.46360903      8.20346181    -16.92945738
  O     16.47041595     10.66910711     -8.79710825
  H     14.63311908      6.09412660     -8.54673254
  H     12.37722259      9.89967721    -12.07294535
  O     15.38760771      8.47432976    -17.02691998
  H     18.62765074      7.61405834    -15.78312208
  H     13.78838638     10.55257840    -12.09697345
  O     13.22957412      9.92354384    -11.62046809
  H     18.95997113      9.12240700    -15.71247238
  H     13.98895161     13.40824569    -15.97306840
  O     14.12957688     12.52986167    -15.62926062
  H     21.42808043      8.40435414    -13.18156597
  H     14.79200615     12.11046713    -16.20690487
          69
 Energy    -249.75218138950675     
  O     14.25106989      3.87405735    -11.06457543
  H     13.56326368      3.95019039    -11.74298350
  H     13.53668450      8.85856553    -13.72630621
  O     15.28616992     10.23653603    -15.79755578
  H     15.10058040      3.97496786    -11.50889879
  H     15.11230413      9.53960186    -10.26893618
  O     17.58068180     10.00036591    -12.42855978
  H     15.07079354     10.54371659    -16.67434495
  H     16.44148987      9.50521065    -11.13029926
  O     11.31725927      7.31747723    -14.92658186
  H     14.45401024      9.93426710    -15.39318321
  H     13.50331836      7.52408156    -11.83908452
  O     19.50090772      4.93352732    -12.61513690
  H     17.40232662      9.42420846    -13.18620548
  H     14.87371937      8.21774086    -11.87543730
  O     13.22866801      5.24646150    -15.48535610
  H     18.46212039      9.77052767    -12.10873587
  H     12.56542366      4.52110609    -13.84787650
  O     16.53492894      6.44007396     -9.86784308
  H     10.98923894      7.06867719    -14.05372277
  H     11.63550575      4.97441713    -12.70844235
  O     13.32477913     10.11745272     -9.95052480
  H     11.90354213      6.60195323    -15.20442649
  H     20.83348238      9.30233165    -11.21693152
  O     19.58950111      7.31551323    -13.91810592
  H     20.19518103      4.35641822    -12.92079491
  H     19.78999430      8.16941971    -11.06283770
  O     15.77452366     11.90524562    -13.46658054
  H     19.54677599      5.74225134    -13.15644587
  H     15.96381255      5.53433136    -13.56124286
  O     13.30443787     11.26263809    -12.37376085
  H     13.42943473      4.75218980    -16.27608252
  H     14.95020532      6.69127868    -13.56723684
  O     13.09462483      9.33893366    -14.44200382
  H     14.07842757      5.52904378    -15.10812172
  H     16.53296218      8.99589081    -15.16806816
  O     15.86167714      8.99863248    -10.54390597
  H     15.73564562      6.10667215     -9.44552769
  H     16.54394445      7.56367755    -14.56743120
  O     14.21269390      7.79055550    -12.43486133
  H     16.35769629      7.37317800    -10.06211876
  H     18.40990247      6.55089592    -10.01120221
  O     12.29057691      4.30876050    -12.94824345
  H     13.26163648     10.56008809    -10.81798190
  H     19.45475572      5.97106035    -10.98703011
  O     20.03178955      8.94985720    -11.59334563
  H     13.07304469     10.76210377     -9.29490696
  H     11.12438084      6.87643492    -11.53055445
  O     15.47017075      6.11770340    -14.15349818
  H     18.78747525      7.67951905    -14.31449765
  H      9.68821548      6.46606781    -11.91878881
  O     17.06698981      8.37150500    -14.66057224
  H     19.85403592      7.94029313    -13.23147369
  H     16.67933800      5.35938890    -11.37033658
  O     19.31800919      6.65794246    -10.32270094
  H     15.66314536     11.49756304    -14.33370220
  H     17.69108342      4.66729235    -12.31534837
  O     10.58331357      6.50855323    -12.24761109
  H     16.49252764     11.41299054    -13.04782470
  H     13.76415257      5.08411970     -8.21880497
  O     16.74942122      4.75438035    -12.12340021
  H     12.99824807     10.71753011    -13.10810924
  H     14.01174386      4.90126107     -9.73734489
  O     13.94165649      5.56413370     -9.02322466
  H     14.15513150     11.62174372    -12.66639896
  H     12.62514014      8.36608937    -10.13044821
  O     12.36302277      7.46549017    -10.36339740
  H     12.38148061      8.75562700    -14.73533394
  H     12.87752215      6.84998730     -9.82258351
          69
 Energy    -249.75179281280137     
  O     19.45288245     12.15112583    -19.51455322
  H     19.42504957     11.65986469    -20.33100680
  H     16.95131159     13.88291257    -18.94084360
  O     18.02027259     18.47107732    -14.35257204
  H     18.81871283     12.88699188    -19.60793940
  H     21.54888457     16.36157756    -17.27985619
  O     22.72070335     13.33321357    -15.98579069
  H     17.68112604     18.43209356    -15.25402176
  H     20.12764753     15.78614307    -17.31312112
  O     16.23546132     14.85327295    -13.40252970
  H     18.92440028     18.12725047    -14.37828857
  H     15.04420194     13.42031318    -13.42147888
  O     16.10899189     13.14143372    -17.37550826
  H     23.41752295     12.68493214    -15.93128237
  H     15.29764509     11.93691641    -13.10650091
  O     16.84386107     10.82788003    -12.76502492
  H     22.39648371     13.32700039    -16.90698347
  H     19.01832828     12.98728359    -13.67359484
  O     14.22178586     11.59237045    -15.99966575
  H     16.39800560     15.66552032    -12.90665288
  H     17.93663970     12.33174800    -12.77501479
  O     21.69907313     13.50180592    -18.45545299
  H     17.00989996     14.28576673    -13.27498418
  H     17.26679601     10.46118596    -15.96629786
  O     22.71418187     16.12016433    -15.62975125
  H     15.36939586     12.63561814    -17.01656999
  H     15.75484114     10.45685263    -15.66168801
  O     17.05720714     17.20979359    -12.15564630
  H     16.90339228     12.61334891    -17.21211536
  H     16.52795709     17.18062883    -16.66195002
  O     20.02321192     12.88812287    -15.18846344
  H     16.80876501     10.50456437    -13.68354947
  H     16.09940101     18.54592991    -17.24758676
  O     17.63058514     14.11766787    -19.58369664
  H     16.85948328     10.05837395    -12.20249263
  H     21.24825236     16.74623873    -14.59407899
  O     20.84218289     16.11411602    -17.88411246
  H     13.31333865     11.32816387    -16.11506314
  H     20.22195514     16.49903541    -13.42683688
  O     14.65156358     12.54012148    -13.49426855
  H     14.29543387     11.96670857    -15.10303358
  H     18.68239793     16.16035808    -11.91417944
  O     18.41323465     13.15547292    -12.93782706
  H     20.98239260     12.99373712    -18.85365758
  H     19.18834914     14.73449603    -12.21351287
  O     16.60079623     10.09900186    -15.36604176
  H     21.40807915     14.42412157    -18.45034157
  H     18.78920127     11.61476996    -17.85394388
  O     16.85841375     18.05070723    -16.94738861
  H     22.75937046     15.15304346    -15.68814038
  H     19.00290748     11.92661547    -16.34689386
  O     20.37803432     16.98169908    -14.25482574
  H     23.61477220     16.43241555    -15.57701832
  H     19.39168790     15.91692148    -15.32957547
  O     19.48396540     15.63900159    -12.04785777
  H     17.35016967     17.71933980    -12.93285051
  H     18.08596400     15.40605154    -16.03163315
  O     18.38769470     11.53183429    -16.98020485
  H     16.72033299     17.83921898    -11.52417488
  H     19.28594816     16.72385662    -18.83804625
  O     19.03932361     15.28241700    -15.97036470
  H     20.97366664     12.93022836    -15.33449656
  H     17.91922963     17.29051306    -18.40407667
  O     18.35371060     16.76551933    -19.08566905
  H     19.66144609     13.73432779    -15.50232901
  H     16.15517143     15.33550023    -15.12793783
  O     16.25284523     15.54824037    -16.06673843
  H     17.82837310     15.05717757    -19.46285929
  H     16.12546227     14.73007836    -16.56701336
          69
 Energy    -249.75176085733784     
  O     10.07935255      7.27906286    -10.69745391
  H     10.94851618      7.55044302    -11.02519793
  H     11.50556962      4.16195422     -9.50733583
  O     12.54802852      7.98775992    -11.68425443
  H      9.58920436      8.08171232    -10.48519666
  H     13.49209794      4.03610504     -8.57623993
  O     11.63449390      4.39919025    -13.39591001
  H     12.92782469      7.10367385    -11.79010792
  H     14.53587821      3.72156556     -7.48055802
  O     10.86275173     10.28059945     -8.41619934
  H     12.80741056      8.28755988    -10.80178982
  H      8.36763606     10.71080813    -13.56219213
  O      5.76211229      6.54314785    -10.81879231
  H     11.44524066      3.56129711    -12.95626501
  H      9.34028180      9.54238038    -13.27375668
  O      7.58975575      6.89840325     -6.98824319
  H     12.42614106      4.75184643    -12.96953629
  H     11.39160549      5.97083599     -7.80196488
  O     13.58878706      5.40691882    -11.60712005
  H     10.15561135     10.16017143     -9.07284117
  H     12.83520462      5.75775872     -7.29916066
  O      9.41602942      5.93952952    -13.02448156
  H     10.86021768     11.20439194     -8.17739825
  H      9.29421632      4.98145612     -8.87881336
  O      7.43435784      5.02805983     -9.12028417
  H      4.87844142      6.30163588    -11.08389738
  H     10.21766512      5.99637521     -9.55270469
  O     15.11264683      6.54736247     -9.59406530
  H      6.20970225      6.88010344    -11.61504369
  H      7.83448632      6.89112768    -13.15855667
  O     10.68485515      8.52454150    -13.73602366
  H      8.45776151      7.32480805     -6.87714398
  H      7.46523377      8.37982006    -12.99426822
  O     12.25172881      3.63543014     -9.83326122
  H      7.20379463      6.84155009     -6.11765439
  H     10.77367989      7.56222102     -6.70550957
  O     14.07294279      4.43759926     -7.90824580
  H     13.11170288      4.79203717    -11.03374818
  H     10.24777614      8.92035633     -7.19838060
  O      8.53522814      9.99147229    -12.95905409
  H     14.28148242      5.78914837    -11.04843655
  H     12.72196086      7.76315774     -8.40998042
  O     12.11236024      6.39497417     -7.30968096
  H     10.18544472      5.39555305    -13.25367711
  H     12.39487616      9.21343151     -8.79459285
  O     10.21748735      5.24820470     -8.93372813
  H      9.61391545      6.39123406    -12.18859559
  H      6.91178547      8.09546025     -8.29690054
  O      7.09941226      7.48863852    -12.96327491
  H      7.44962714      5.57977713     -8.32587534
  H      6.24111628      7.97135971     -9.67506184
  O      9.99549371      8.13469358     -6.70005342
  H      6.84810471      5.49286685     -9.73352750
  H     10.59597118      1.30033565    -12.01130606
  O     13.00923634      8.49210232     -8.97814290
  H     14.90417778      5.87252052     -8.93571275
  H      9.94690535      2.64414442    -11.60318242
  O      6.65590284      8.60460795     -9.07602030
  H     14.60812687      7.32959107     -9.34158478
  H      8.10923538      4.00284487    -10.65213462
  O     10.79864006      2.19018968    -11.73573239
  H     11.44283568      8.47116524    -13.13774639
  H      8.66645360      4.42035201    -12.02996699
  O      8.52004464      3.66033908    -11.45365776
  H     10.33597019      7.62848136    -13.79124261
  H      8.02528057      9.42955592     -9.79483223
  O      8.85600515      9.74067827    -10.18855024
  H     11.87159128      2.99056421    -10.44201421
  H      8.69810553      9.94508836    -11.11846450
          69
 Energy    -249.75167418806549     
  O     10.98226671      9.73795314    -15.63560584
  H     11.13591453      9.00571573    -15.03081138
  H     17.19053532      7.21501629    -14.43910709
  O     15.41222327      7.23706974    -11.25051269
  H     10.97521959     10.54414453    -15.09814622
  H     18.80832029      9.89882377    -14.22011152
  O     16.10379389     12.15812207    -14.16369448
  H     15.85811574      7.17567975    -12.10696827
  H     19.17348623      8.74034615    -15.16977104
  O     12.32374684     10.28384020    -17.93855263
  H     15.78217034      8.01838712    -10.82283302
  H     15.27844563     10.08264331    -10.61160696
  O     13.82170210     10.63456356    -13.92502598
  H     16.19360828     12.03160884    -15.11873076
  H     16.37854193     10.32280022     -9.55268264
  O     14.20572761     13.98904392    -13.08904843
  H     16.64571365     11.48343065    -13.73233646
  H     17.09576985     11.43994997    -17.13451675
  O     12.71490698      7.45688955    -11.34411655
  H     11.83404723     10.06395833    -17.12627085
  H     15.73222435     10.71243007    -17.03636504
  O     12.54964448     14.28485726    -15.43657833
  H     11.70468488     10.20543353    -18.65981969
  H     11.50703079     12.26060003    -13.22451826
  O     17.49476976      8.31838709    -17.90915590
  H     13.01675818     11.14218509    -14.08736125
  H     11.66235404     12.85029852    -14.64863781
  O     13.60004994     10.18469804    -11.20788256
  H     14.57700955     11.22975095    -14.02071497
  H     11.96457758      7.45045549    -13.01817717
  O     18.47796298      7.02632827    -15.74154655
  H     14.97244337     13.49090695    -13.39889481
  H     11.06481770      6.66046415    -13.99089186
  O     16.53398457      7.49191972    -13.78866441
  H     13.69950771     14.20611014    -13.88190819
  H     13.17334382     11.95593521    -17.59216907
  O     19.32518753      9.67950502    -15.00554351
  H     12.36029696      7.02913602    -10.56839246
  H     14.58751868     12.47620152    -17.25397904
  O     16.19989498      9.87779346    -10.37716751
  H     13.67761518      7.30345725    -11.33134915
  H     17.14692643     10.05199038    -12.00918415
  O     16.17317666     11.55926907    -16.87779977
  H     12.97206734     13.78775334    -16.15980077
  H     17.09543453      9.15233967    -13.25804779
  O     11.40374468     12.05431726    -14.16647358
  H     12.23212819     15.10171832    -15.81145042
  H     14.63429125      8.70147543    -16.60799930
  O     11.63924531      7.42078764    -13.93165862
  H     17.96192753      9.16305751    -17.91700556
  H     14.00594998      9.49245738    -17.76938741
  O     13.66595721     12.74902934    -17.34921907
  H     16.55212893      8.53106364    -17.88447269
  H     12.94175708     13.19441284    -12.00561180
  O     17.41119669     10.00928380    -12.93571096
  H     13.70136029     10.36644079    -12.15544967
  H     12.62505744     11.89118661    -11.23965151
  O     14.84554647      9.14808735    -17.44035097
  H     13.16447984      9.32738750    -11.15080911
  H     19.05220585     10.48461132    -16.53224735
  O     12.21681227     12.67541699    -11.62178814
  H     19.00017420      6.27360879    -16.00489811
  H     19.59262141     11.24784688    -17.76620539
  O     18.81448613     10.82528327    -17.41363755
  H     18.11203648      7.41556951    -16.55625422
  H     14.05435544      9.06133791    -14.61737371
  O     14.14592477      8.15745939    -14.96402676
  H     15.70202628      7.65292721    -14.25797205
  H     13.31701892      7.71624827    -14.75162902
          69
 Ord_Energy   -249.751160    
 O   -4.44735098     -0.299003094       1.70111060    
 H   -3.99709439     -0.818091810       1.02374363    
 H   -5.02622414      0.335725397       1.25967705    
 O   -4.00562334       3.41703343       2.99227357    
 H   -4.50913811       3.04968119       3.72746491    
 H   -3.08549762       3.15575075       3.12419677    
 O   -3.13178730      -1.97149265     -0.150258258    
 H   -2.25883150      -2.01109838      0.257233828    
 H   -3.61991405      -2.77479792       8.96874815E-02
 O   -7.28480005       1.05462706       3.20898890    
 H   -6.74645805       1.46041703       3.90005064    
 H   -7.19458008      0.102802299       3.31693363    
 O   -4.12250614     -0.497507632      -2.20787525    
 H   -3.70920634      -1.07517135      -1.54179442    
 H   -3.78550625     -0.773002267      -3.05683661    
 O   -6.37722158      -1.77480364       2.98022866    
 H   -5.67975569      -1.23079050       2.58125329    
 H   -6.84037542      -2.19730663       2.24481797    
 O   -1.36318433       2.41949821       3.26605844    
 H   -1.14426696       1.96213484       2.43180466    
 H  -0.562441170       2.83088112       3.57750607    
 O  -0.914800942       1.00885963       1.04161358    
 H   -1.57335937       1.21397567      0.359602332    
 H  -0.819351971       5.24162091E-02   1.07404888    
 O   -6.27569199      -1.84895730       5.79922104    
 H   -5.90026855      -2.71037912       6.01859140    
 H   -6.44768095      -1.86492217       4.84895849    
 O   -6.68761826     -0.819473565      -1.00217283    
 H   -6.72948980       1.51525997E-03 -0.490095437    
 H   -5.89234257     -0.742553711      -1.54149365    
 O   -4.38534689      -3.77056766       3.49354267    
 H   -5.07226276      -3.10553837       3.35406208    
 H   -4.50657892      -4.09606743       4.39478064    
 O   -7.28576899      -2.90725970      0.595028877    
 H   -7.09475517      -2.17182422      -1.61067303E-02
 H   -8.09681606      -3.30908513      0.296035141    
 O   -4.32313251       5.42972386E-02   6.20255327    
 H   -5.04162216     -0.590315163       6.09865046    
 H   -3.81348228       7.20454901E-02   5.37643290    
 O   -2.71500564      -2.36357617       6.55437565    
 H   -2.24591112      -2.37990022       5.71164751    
 H   -3.13563061      -1.49709010       6.61663437    
 O   -6.41551065       1.38886356      0.629329443    
 H   -5.94941235       2.22326684      0.497467309    
 H   -6.81992292       1.39951384       1.51014781    
 O   -4.71582556       3.57630205      0.395018578    
 H   -4.46155357       3.56267238       1.33586168    
 H   -4.80026865       4.49215078      0.144793645    
 O   -4.65705109      -4.06014681      0.697413445    
 H   -5.57875395      -3.78716421      0.606064498    
 H   -4.50431728      -4.17165089       1.64481211    
 O  -0.735554516      -1.89646983       1.30178249    
 H    9.94130597E-02  -2.34801126       1.20504332    
 H   -1.07709157      -2.12708569       2.18162656    
 O   -5.56775379       2.29281020       5.15003729    
 H   -5.94761276       2.85899305       5.81848574    
 H   -5.13832331       1.56119049       5.62132931    
 O   -2.88957238       1.67727840     -0.763209522    
 H   -3.38035107       1.06509435      -1.32232726    
 H   -3.51696134       2.34073734     -0.452772796    
 O   -2.88404226      0.177565888       3.87774563    
 H   -2.30399871      0.940230727       3.76827335    
 H   -3.43769073      0.115844309       3.08432627    
 O   -1.94341111      -2.38218236       3.73052573    
 H   -2.23119569      -1.45769906       3.80251265    
 H   -2.74105644      -2.91407681       3.60021281    
 O   -4.69385386      -4.21085501       6.24663830    
 H   -4.69446898      -4.89007378       6.91511965    
 H   -3.95819426      -3.60752654       6.45620441    
          69
 Energy    -249.75101038746908     
  O     17.75698693     10.11236914    -11.59881931
  H     17.81247083     11.02651015    -11.28934924
  H     19.45971348      5.25662554    -11.83024020
  O     17.84274967     12.48972761    -10.23477437
  H     17.41335018      9.60218534    -10.84811067
  H     16.00022261      5.86924975    -10.65695445
  O     12.84863086      7.05219082    -11.29274589
  H     17.05924221     12.50587771     -9.67204949
  H     16.01784011      5.85837614     -9.07165688
  O     15.99322125      8.73096933    -13.22130470
  H     18.58722794     12.35072223     -9.63529292
  H     20.25923701      7.83483356    -13.23765030
  O     19.97177038      8.47954977    -11.61303761
  H     12.89524687      7.92680550    -11.69697791
  H     21.10045409      7.62975522    -14.51815693
  O     20.79045110      9.29021874     -8.99657414
  H     13.58926362      6.56415097    -11.67583927
  H     17.48117028     10.04664946     -6.72057365
  O     19.25548833      6.16146138    -10.18339817
  H     16.61435414      9.28303511    -12.72603700
  H     16.86874226     11.36019626     -7.29138383
  O     15.59199635     12.21281436     -8.42053628
  H     16.49606288      8.31093206    -13.93479650
  H     18.49618308      7.37644910    -14.75308589
  O     13.54652887      9.64859457    -12.39262033
  H     19.22712794      9.09674484    -11.67085613
  H     17.33484347      6.36904923    -14.77382432
  O     14.35497821     10.16472955     -9.73170783
  H     19.67229175      7.69343257    -11.13253266
  H     16.98718480      8.69492369     -8.65914047
  O     13.34721753      7.71140856     -8.64624739
  H     20.65716838      9.15055585     -9.94167102
  H     16.60355444      7.73519238     -9.79615719
  O     19.42242130      4.98170600    -12.75535367
  H     20.49859552     10.18875225     -8.79758363
  H     20.29084404     12.46463732     -7.74582305
  O     16.56023084      5.89934792     -9.86820633
  H     19.57030933      6.37055864     -9.29690678
  H     19.06119880     11.52631928     -7.68436805
  O     20.29555004      7.35840505    -14.08473255
  H     18.30609091      5.98772512    -10.09133619
  H     18.21239188      7.75498496     -7.07568377
  O     17.64134091     10.99056107     -6.84531210
  H     15.06619285     11.53966194     -8.88398407
  H     16.67283762      7.50290352     -6.96159916
  O     17.55437690      7.29242707    -14.94767184
  H     14.98085930     12.88620887     -8.13203296
  H     15.80053923      5.53433465    -12.88182536
  O     16.67461568      8.67114639     -9.57179345
  H     14.39145985      9.35382745    -12.77352986
  H     15.55182667      7.03354371    -12.58029203
  O     19.79802394     11.82204562     -8.24977034
  H     13.10050559     10.14673592    -13.07293069
  H     20.26933511      7.96048397     -8.04390085
  O     17.35756536      8.18324269     -6.92894514
  H     15.14597775      9.60366455     -9.70146313
  H     20.59857421      6.85051103     -7.01549066
  O     15.31884619      6.13699896    -12.30076832
  H     14.00624118     10.09665887    -10.62893664
  H     14.84408371      5.67725151     -6.78347079
  O     19.91239290      7.17104829     -7.59499726
  H     13.54144082      8.64034881     -8.81174744
  H     14.52832991      6.80949663     -7.78975449
  O     15.25056474      6.28765143     -7.39260585
  H     13.07707080      7.36053875     -9.50806028
  H     17.86967312      4.68120575    -13.49123378
  O     17.01054414      4.63952060    -13.94858422
  H     19.83426191      5.69396712    -13.26093997
  H     16.97652866      3.79863995    -14.39620757
          69
 Energy    -249.75065729095195     
  O     12.65574587     11.85247473    -11.78361793
  H     12.71259536     11.45928993    -10.90474181
  H     18.55161904      8.10402878    -16.81090964
  O     19.36378517      6.41175405    -14.16924538
  H     12.31735820     11.15889707    -12.36410339
  H     17.35280180     13.19501289    -14.75892627
  O     18.49503871      9.92909759    -12.07918200
  H     18.99288392      6.63700922    -13.30643038
  H     18.53367473     12.31040280    -14.34805483
  O     12.22079785      8.30921213    -11.03800993
  H     18.64970370      5.98509181    -14.65958362
  H     10.92553955      9.43366073    -13.66984443
  O     15.64871802      6.60021825    -13.52868484
  H     18.72738099     10.13142741    -12.99558592
  H     11.91488796      9.06283756    -12.53820375
  O     14.31568103      6.51150287    -11.02676035
  H     18.38074026      8.97034945    -12.01576566
  H     16.71091237     10.20600968    -12.33509818
  O     17.08662501      5.60702077    -15.72269373
  H     12.91294798      7.63176347    -11.00742411
  H     15.49679497     11.15842914    -12.60731325
  O     14.86880763     12.85021614    -12.98187477
  H     12.42017134      8.94592859    -10.34325898
  H     16.26333485      8.28301613     -9.41189232
  O     16.27443416     10.12870986    -15.95834125
  H     16.05622073      6.16080427    -14.28492540
  H     16.79841602      7.14300999     -8.51515691
  O     17.84601175      7.23525414    -11.92993044
  H     15.14615192      7.35129882    -13.87471822
  H     19.99010083      7.65824555    -15.21490952
  O     15.62679509     12.85981011    -15.59852715
  H     14.72028723      6.39740692    -11.89655277
  H     21.10575152      8.18536098    -16.15015354
  O     17.63820158      7.90825507    -17.05371880
  H     15.04329294      6.67202705    -10.41622890
  H     17.58549318     13.62328534    -12.54080706
  O     18.10656892     13.15583675    -14.15800326
  H     17.22383148      6.40898307    -16.25851827
  H     17.44489092     14.74361582    -11.48537671
  O     11.81312637      9.58506308    -13.35698780
  H     16.95544230      4.88605772    -16.33233816
  H     17.60729711     12.45416357    -10.44271576
  O     15.74736526     10.24907272    -12.39962564
  H     15.49016511     13.29718249    -12.39368760
  H     18.23583348     11.06482854    -10.61204212
  O     16.56138071      7.35858683     -9.41360653
  H     14.05370848     12.62907053    -12.50477248
  H     17.92757311     10.33687528    -15.14633473
  O     20.21604192      8.35742990    -15.85501762
  H     16.03156962     11.06247430    -15.98126611
  H     19.40039013      9.85260859    -15.15613844
  O     17.15965769     13.85801556    -11.69626057
  H     15.57202296      9.67594282    -15.47015580
  H     12.77503774     10.67834611     -8.39341616
  O     17.82609187     11.64969953     -9.95775878
  H     17.53601638      7.17342281    -11.01868599
  H     13.97106192     10.30436168     -9.29860409
  O     18.80128096     10.49894143    -14.76265860
  H     17.07667518      7.05275928    -12.49033720
  H     15.53869633      9.95324337    -10.62457773
  O     13.01143613     10.45507768     -9.29009134
  H     15.26165850     12.86970894    -14.69603146
  H     16.42049142     10.59826819     -9.54893251
  O     15.68845103      9.97454422     -9.66674824
  H     15.11647972     13.48332361    -16.10884629
  H     14.86445775      9.35352440    -13.58030951
  O     14.37624146      8.93231408    -14.30845429
  H     17.12400228      8.69255392    -16.82099618
  H     13.44469397      9.11394735    -14.13897163
          69
 Energy    -249.75051853812155     
  O     -1.57469921      4.54275208      4.53407529
  H     -1.17895582      3.91376809      5.16467026
  H      0.21615106      2.37064229      2.69318040
  O     -2.79370672      2.73109627      2.71067837
  H     -1.88333123      5.28603157      5.04508402
  H     -3.56848546      1.01220646      2.69570620
  O     -0.25640404      2.77314354      6.12577114
  H     -1.95674302      2.24661828      2.63037674
  H     -3.47007051     -0.35483912      3.42122795
  O      1.10355531     -3.51460053      1.27760001
  H     -2.60583240      3.43472823      3.34133134
  H     -0.45707752      0.66907251      4.12786016
  O     -0.05334457      0.33859254      0.13557145
  H     -0.36449270      1.84492978      5.87851813
  H     -1.29449921     -0.28626440      5.03437029
  O     -2.51005363     -0.90245833      0.33118390
  H      0.67917510      2.97144858      5.99348434
  H      1.65812653     -4.33626096      4.73663113
  O     -3.90744622      0.95098107     -1.19704954
  H      1.54745901     -2.65960245      1.19553150
  H      1.43037672     -2.89743791      4.21794688
  O     -0.08542209      2.85192509     -1.10730493
  H      1.20255794     -3.77243029      2.20236840
  H     -0.59963276     -3.51276537      0.89643978
  O      2.06384215     -0.87848410      1.34542941
  H     -0.92845248     -0.07442329      0.12526942
  H     -1.80468740     -4.29389791      0.32414848
  O     -2.82451922     -1.30378696      4.92497165
  H     -0.07379063      1.12473186     -0.42339939
  H      2.80044720      2.57887182      4.95527358
  O     -1.65109208     -3.38735381      3.68126612
  H     -2.25524081     -1.82352055      0.45796434
  H      3.09713370      3.83682810      5.80474220
  O     -0.29804166      1.55650028      2.62767037
  H     -2.94450148     -0.59688808      1.14483450
  H      4.63847897      1.49011753      0.93122189
  O     -3.69533895      0.06158282      2.58089426
  H     -3.44826775      0.22383923     -0.74807342
  H      3.20182531      2.03481193      1.11046190
  O     -0.46859084      0.21018056      4.98408529
  H     -4.83693961      0.73881466     -1.14434868
  H      1.79394268     -1.03312415      3.16633331
  O      1.14012565     -3.82120915      4.12395294
  H     -0.11871572      3.10237490     -2.02651701
  H      0.99672089     -0.71101778      4.48076072
  O     -1.57041490     -3.51210478      0.81805235
  H     -0.96856417      3.03469808     -0.73631264
  H      2.96119043      0.32459709      4.30474455
  O      2.40929541      3.39617318      5.31351934
  H      1.31827145     -0.50385324      0.85181330
  H      3.63497024      1.23890626      3.25894497
  O      3.81476291      1.32837789      1.38332667
  H      2.76771798     -0.22054668      1.30250467
  H      1.44249388      3.94380355      3.83117115
  O      1.77688521     -1.16325847      4.12649731
  H     -3.39436546     -1.62294299      5.61940849
  H      0.01588081      4.40757987      3.45068060
  O      3.42192801      1.16548371      4.19770757
  H     -2.43742124     -2.08759904      4.49383813
  H     -2.74064702      3.09942829      0.85260196
  O      0.85263230      4.10056772      3.08064392
  H     -0.73473409     -3.60091126      3.89566399
  H     -3.09041846      2.43702593     -0.50399067
  O     -2.55144921      3.12791982     -0.09251531
  H     -1.72486097     -3.45334936      2.72178045
  H      1.36021350      3.19848112      0.04789518
  O      2.06340400      3.27633466      0.70404789
  H     -0.14865495      1.16431726      1.75921259
  H      1.68029913      3.73578501      1.46317278
          69
 Energy    -249.75049625309961     
  O     17.19342270     11.21247164    -17.67956573
  H     17.15909420     10.51072667    -17.00955211
  H     17.19128851      5.82677841    -13.57725857
  O     15.24979165      5.66173370    -13.77566132
  H     16.40055348     11.74800330    -17.56293183
  H     17.88664556      9.46737112    -15.09135479
  O     17.71334598     12.62770148    -11.27588935
  H     14.80442691      4.82805224    -13.64896392
  H     17.41591637      8.30545638    -16.00317070
  O     20.94122509      9.88516164    -16.18755826
  H     15.21895513      5.84961632    -14.73072925
  H     14.54895193     13.53152982    -17.21066777
  O     14.91648363      7.97037684    -18.58669418
  H     16.77132745     12.83336499    -11.31807778
  H     15.00661436     12.65444533    -16.02293206
  O     15.02897805     10.26293221    -10.59643184
  H     18.02989340     12.68069111    -12.18742188
  H     18.04066505      8.96095250    -11.18661315
  O     15.28378071      8.06110075    -12.32742682
  H     21.89387215      9.83082791    -16.21913459
  H     18.51484825      8.93991408    -12.65666234
  O     18.18541579     12.50938464    -14.04122802
  H     20.60489332      9.24060583    -16.82966367
  H     14.01963110     10.91144205    -17.22659597
  O     14.80334426      9.63484204    -14.55762508
  H     14.31832363      7.74170588    -19.29418909
  H     13.94632759      9.77544218    -16.19955315
  O     18.13101812      6.60941812    -16.28256772
  H     14.50241834      8.70768736    -18.10483758
  H     17.86382680     11.13922019    -10.37036297
  O     15.42679269      6.14632413    -16.44047649
  H     14.93603311      9.46578412    -11.13415971
  H     18.24924273     10.41799278     -9.05676189
  O     18.12068084      6.08741706    -13.59979738
  H     15.91523238     10.21700567    -10.21601956
  H     18.91236658     10.86957014    -13.90136390
  O     17.21988145      9.21351683    -15.74251514
  H     15.15847066      7.20035287    -12.74668840
  H     19.90798216      9.90705538    -14.62150262
  O     14.86051203     12.65909030    -16.98402454
  H     16.24053022      8.18006906    -12.23012287
  H     14.21757710     13.28004762    -11.09005645
  O     18.04614817      8.42091575    -11.98628520
  H     18.63637002     12.62989049    -14.89010893
  H     14.83533743     11.86973037    -11.24045652
  O     13.79206954      9.98000302    -17.13275526
  H     17.23576505     12.46628117    -14.21465285
  H     19.11701965      8.29288813    -18.41046420
  O     17.80999066     10.29138666     -9.89330865
  H     14.81553038      9.10977580    -13.74902722
  H     20.43830054      7.53833948    -18.67428598
  O     19.21634042      9.95066037    -13.95017853
  H     15.63023261      9.42483618    -15.02029679
  H     15.12919320     12.59744492    -13.41124436
  O     14.85736292     12.77975652    -11.58918212
  H     18.33483742      6.40715727    -15.35535369
  H     15.14028143     11.36667800    -14.34914218
  O     19.95128142      8.00196063    -17.99766338
  H     18.92272264      6.90765906    -16.73844029
  H     18.69142915     12.06532100    -17.02380759
  O     15.36651300     12.30879934    -14.30111158
  H     15.13242824      6.71957934    -17.15604666
  H     20.05217639     11.63201230    -16.46080022
  O     19.43731902     12.37301065    -16.48865672
  H     16.39459270      6.16337355    -16.48576360
  H     16.74462561      8.44190402    -18.96512443
  O     17.61336344      8.84588601    -19.07925867
  H     18.20720848      6.79752162    -12.95128165
  H     17.50138530      9.76617272    -18.80256503
          69
 Energy    -249.74978992953839     
  O     15.97140045      5.78544783    -12.96235242
  H     15.29758268      6.42197753    -12.68489760
  H     20.67081979      5.81439874    -13.25991909
  O     19.30627028      8.80458132    -12.41316520
  H     16.74063434      5.90993776    -12.38827271
  H     15.97075927      9.39256224    -19.35046241
  O     17.59927807      6.81764092    -18.38820546
  H     20.00818900      8.43277900    -12.96033441
  H     16.68446023      8.32646319    -18.48752768
  O     15.55302728      4.98364740    -17.52418048
  H     18.74992713      9.33037968    -13.00719139
  H     16.03290093      7.54099273    -15.59534722
  O     16.07693673     10.82061575     -9.86620572
  H     16.96770398      6.11598407    -18.18443071
  H     16.52242020      6.86412038    -14.28802934
  O     14.20556069      7.84894619    -12.37507537
  H     18.29218584      6.74527057    -17.72040922
  H     14.30737017     10.76193451    -14.01505617
  O     17.57431548      9.96180785    -14.19821630
  H     15.82719139      4.62238937    -16.66159922
  H     13.37408250      9.92662331    -14.89261773
  O     19.18275204      3.83161540    -15.09935772
  H     15.17740962      4.25949356    -18.01747051
  H     17.34665910      6.65478650     -8.06717533
  O     15.03173975      8.14708756     -9.65797451
  H     16.98125912     10.46017140     -9.83372631
  H     16.51461928      7.38965842     -9.14733030
  O     19.16275577      6.50841090    -16.02878113
  H     16.06239218     11.58598568     -9.29843959
  H     11.83653340      7.85410664    -15.07396603
  O     16.35441171      4.04117794    -15.12872496
  H     13.57465875      7.84031831    -13.10479054
  H     13.32186598      7.81547884    -15.49896141
  O     20.21513336      5.03719063    -12.91473447
  H     14.65024087      8.70902938    -12.42876348
  H     20.41708742      7.20896156    -14.93199461
  O     16.04985093      9.06386618    -18.45846139
  H     17.27133177     10.50939694    -14.93712662
  H     21.82730155      7.77582492    -14.65301379
  O     16.78724100      7.46078474    -15.00085080
  H     17.32266932      9.05829244    -14.44451773
  H     18.54645260      7.24333775    -11.80976683
  O     13.88811869     10.74042670    -14.88659952
  H     19.55485179      4.17349931    -14.26642620
  H     17.99520162      6.50642318    -10.55749550
  O     17.40727872      7.06909652     -8.92321124
  H     19.69636367      3.06357150    -15.33465448
  H     18.89539568      9.39344472    -10.67193704
  O     12.71891300      8.06415123    -14.77816085
  H     15.23203655      9.09186223     -9.66786814
  H     18.27555868      8.73171919     -9.41885912
  O     21.03212331      7.46784315    -14.22530837
  H     14.61253470      7.95074866    -10.50492558
  H     16.20646174     10.28575886    -13.04599753
  O     18.23081313      6.38729739    -11.48623429
  H     18.32675806      6.85184069    -15.67500925
  H     15.62003688     10.64150777    -11.64256064
  O     18.49004793      9.58498426     -9.81586597
  H     19.18214331      5.56309133    -15.82970547
  H     16.24635739     10.44189644    -17.08802112
  O     15.38908855     10.34939631    -12.53197217
  H     17.30415479      3.87463797    -15.08240575
  H     15.38837178     11.01065726    -15.93536979
  O     16.27020466     11.04361087    -16.33675740
  H     16.12506249      4.52524303    -14.32408954
  H     14.77579219      6.57692912    -17.04951205
  O     14.53810741      7.46223156    -16.74091511
  H     19.53949132      5.37845438    -12.31234051
  H     14.90973474      8.09620164    -17.36938737
          69
 Energy    -249.74971479417599     
  O     14.04241216      5.82299031     -9.34761056
  H     14.84463016      5.48324791     -9.76141938
  H     15.73639558      8.96423515    -12.67873780
  O     15.43963368      7.29939105    -17.08488566
  H     13.30335585      5.58474667     -9.92751586
  H     13.85797240      8.03768838    -12.32909336
  O     18.14980197      8.83036470    -14.22864295
  H     15.17789250      7.06113883    -17.97034940
  H     14.65483482      6.84023587    -12.97167792
  O     14.05466566     11.38066576    -12.47177454
  H     14.62493344      7.52595173    -16.60317362
  H     12.20136042      4.85980408    -11.95599193
  O     11.21956670      6.50875767    -14.58841966
  H     19.00738104      8.63187076    -13.83406234
  H     11.46461506      6.07873119    -11.37404150
  O     19.09197032      4.55139925    -11.05436604
  H     17.59972306      9.22675775    -13.53770373
  H     20.18329108      7.79571688    -12.03389961
  O     12.74199610      4.24954766    -13.67184430
  H     14.04289941     11.16427180    -13.42363850
  H     21.37520701      8.25714089    -12.90792656
  O     16.84351568      8.13319976    -10.12229321
  H     13.90376204     12.31920629    -12.40374131
  H     15.93668919      5.48634106    -13.87379217
  O     19.37349549      5.37463090    -13.62357313
  H     10.96059291      6.93117017    -13.76026378
  H     15.71289211      5.12793524    -12.36726931
  O     14.12175470     10.68430071    -15.06960624
  H     11.67418450      5.69393832    -14.33874995
  H     17.19674166      9.62638993    -15.65542742
  O     13.31383263      8.01009152    -15.52325420
  H     19.19365272      4.76096208    -12.00070349
  H     16.21790192      9.07161776    -16.69721647
  O     16.31619500      9.67500775    -12.35573670
  H     19.60216940      3.76387129    -10.88787957
  H     16.57132280      6.54853961    -15.78908452
  O     14.47749467      7.78662688    -13.02491932
  H     12.73288744      3.34017468    -13.95983467
  H     17.43116110      7.21533424    -14.69732425
  O     12.01378928      5.32404382    -11.13171415
  H     13.67556360      4.50105711    -13.57035784
  H     19.45173652      6.37189946    -10.51059279
  O     20.47695531      7.94100946    -12.95114401
  H     16.74712982      8.72948539    -10.87865999
  H     18.67195976      7.67399330    -10.22217796
  O     15.29380177      5.13753362    -13.23985015
  H     16.07067403      8.28683632     -9.56637450
  H     11.40331389      8.29208962    -11.69404368
  O     16.50658878      9.89026675    -16.27745590
  H     19.84748504      6.21024588    -13.52468331
  H      9.87227731      8.09133225    -11.72029571
  O     17.07744799      6.36184911    -14.98862739
  H     18.61839521      5.56250078    -14.19472272
  H     17.33209699      5.00144144    -10.77917972
  O     19.53896924      7.33276464    -10.47714658
  H     13.62439087      9.89751168    -15.32239330
  H     16.60157666      6.35537593    -10.58586984
  O     10.69607344      7.70608278    -12.00939882
  H     14.98934734     10.57006304    -15.48452285
  H     14.14216285      8.62534384     -7.93389120
  O     16.45991040      5.41498005    -10.76570672
  H     12.49299893      7.52403890    -15.36672102
  H     14.16826496      7.46816170     -8.96527556
  O     14.30858738      8.42833069     -8.85157254
  H     13.78395177      7.99317040    -14.67570027
  H     13.34810375      8.99331907    -10.33535779
  O     12.88273543      9.15757131    -11.16629605
  H     15.74943969     10.45210539    -12.31342634
  H     13.23421725      9.97016093    -11.55509733
          69
 Energy    -249.74925430135903     
  O     13.27643875      4.45038247    -10.94593287
  H     14.11694110      4.34682852    -11.41350643
  H     12.71711362      8.16102348    -15.38581247
  O     15.42956308      9.22723262    -16.81681931
  H     12.62192581      4.73126463    -11.59573501
  H     15.94551729     10.00717119    -11.07612644
  O     18.09005671      9.08209524    -13.49036946
  H     15.21284815      9.35159490    -17.73721004
  H     15.63470951      8.80736152    -11.99794751
  O     14.88685755     11.45735006    -10.85421476
  H     14.58678692      9.16276960    -16.33606161
  H     14.50685198      7.26265911    -13.39087225
  O     12.28942945      6.38937292    -15.18537983
  H     18.90660629      8.64004861    -13.22947504
  H     13.62884883      7.95659540    -12.29476993
  O     18.40062942      3.73288113    -12.68202410
  H     17.54059534      9.15483053    -12.69563237
  H     10.34360872      5.62956543    -12.36356036
  O     16.39417748      6.68241242    -10.23551249
  H     14.95107530     11.90933042    -11.70626520
  H     11.52107154      6.56530785    -12.01433652
  O     12.09395704     10.61744076    -11.02531581
  H     13.96492645     11.18743009    -10.77496339
  H     19.84870313      6.94486233    -11.98323662
  O     19.06817197      5.59553980    -14.53699817
  H     13.19110577      6.05693923    -15.06736901
  H     21.14778178      7.64011714    -12.45728842
  O     14.93996803     12.56486236    -13.49015370
  H     11.83422994      6.15712662    -14.36772921
  H     15.25624661      5.29892384    -13.66097465
  O     12.46350495     11.20367498    -13.63864696
  H     18.63285084      4.33906427    -13.40881993
  H     15.69291745      6.25806294    -14.81129973
  O     13.18985158      8.99485144    -15.24775866
  H     18.82219338      2.89939762    -12.87152204
  H     17.24611665     10.43748559    -14.44957164
  O     16.31033192      9.17453933    -11.40382315
  H     15.58039977      6.61543996     -9.72344240
  H     16.26821982     10.48466814    -15.64337137
  O     14.35252157      8.09271936    -12.91927255
  H     16.43155183      7.58973888    -10.57350629
  H     17.36990925      7.94008769    -14.71777145
  O     11.26714214      5.79146367    -12.54419771
  H     11.43426286     11.20682860    -10.66880371
  H     16.54601527      7.91640987    -16.02490764
  O     20.24378447      7.46653470    -12.70494977
  H     12.16368930     10.81907364    -11.97678880
  H     18.86992174      5.05426261    -11.34619087
  O     14.93141991      5.81590069    -14.41052557
  H     18.39112785      6.10569029    -14.99936012
  H     18.18145091      6.14945038    -10.50251102
  O     16.62617071     11.01093340    -14.91922270
  H     19.58475044      6.23745509    -14.03335483
  H     12.19374626      8.80866588    -10.92510489
  O     17.02256249      7.35177299    -15.40493000
  H     15.13995590     13.47371926    -13.69849122
  H     12.78824441      7.50475802    -10.27157999
  O     19.03349174      5.87559019    -10.86631180
  H     15.56428816     12.01988466    -14.00125727
  H     16.04608758      5.36693031    -11.48563963
  O     12.30618096      7.85432215    -11.03234579
  H     13.27918493     11.72217061    -13.66459782
  H     16.66546620      4.18688195    -12.27899093
  O     15.83322340      4.63437586    -12.08165985
  H     12.55391167     10.52312302    -14.31672426
  H     13.57244555      5.62586130     -9.70067534
  O     13.77498064      6.38575155     -9.12327832
  H     13.65863457      8.86795923    -14.40824388
  H     13.57654792      6.11670904     -8.23019989
          69
 Ord_Energy   -249.749191    
 O   -5.92609197E-02  -2.85025740      0.670248508    
 H   0.203480110      -2.18098927       2.28631496E-02
 H   0.216615587      -2.49764585       1.52371502    
 O    8.63062292E-02   2.76078033       1.61586523    
 H  -0.475104332       2.12981534       1.14056778    
 H   0.285863221       3.47567797      0.998818338    
 O   -2.33711934       4.49788666     -0.575554848    
 H   -1.37843692       4.60721397     -0.559637666    
 H   -2.54444647       3.95134211      -1.34253180    
 O    1.53847241       2.82108068      -1.94608665    
 H    2.03067160       2.09845877      -1.54281247    
 H   0.875905395       2.42740774      -2.53398132    
 O   -2.57985520      -3.48437858     -0.100239292    
 H   -1.67278433      -3.29913688      0.201603249    
 H   -2.66748405      -4.43355083     -0.134043872    
 O    2.85607314      0.644274414     -0.606680036    
 H    3.78632879      0.446882218     -0.668023586    
 H    2.64431000      0.715102911      0.342473418    
 O   -3.04044986       2.74902225      -2.69303131    
 H   -3.35641360       2.01431322      -2.13864613    
 H   -3.71928024       2.91589570      -3.34229684    
 O   -1.93821454     -0.442836136       2.95710874    
 H   -2.65890598      -1.01323974       2.64577889    
 H   -2.30744767      0.202463046       3.57171011    
 O   0.592365921      -1.42029512       3.06502247    
 H  -0.317781627      -1.07600486       3.09160185    
 H   0.775178134      -1.77803576       3.93033266    
 O   0.480844527       4.69928694     -0.374247909    
 H   0.886915386       4.05358839     -0.982545316    
 H    1.01040339       5.49016809     -0.417249739    
 O   -3.75851965       4.52686787       1.70729625    
 H   -4.20388269       5.36963654       1.73298275    
 H   -3.25776625       4.50412846      0.872118831    
 O    2.05064201      0.796900690       1.95675945    
 H    1.41793370       1.52919388       1.96338630    
 H    1.60539424       4.02200595E-02   2.35539007    
 O   -3.02255750       1.53281283       4.59876299    
 H   -3.14736724       1.63718283       5.53758097    
 H   -2.51983333       2.30958843       4.28970098    
 O  -0.620434165      -1.12731135      -3.47297859    
 H  -0.181785986      -1.01851809      -2.61013961    
 H   -3.03457603E-02  -1.63912725      -4.02033854    
 O   -4.89405298       2.05764198       2.49912119    
 H   -4.55831671       2.90402269       2.17710280    
 H   -4.35586643       1.83181620       3.26660728    
 O   -3.92550421      -1.89995301       1.84634137    
 H   -4.57951498      -1.31404686       1.44670701    
 H   -3.56909394      -2.45671153       1.14279783    
 O   -5.68582678      0.114324093      0.827996850    
 H   -5.44415236      0.821423352       1.45469379    
 H   -6.63773584       6.93097636E-02  0.814504266    
 O   0.452998310     -0.695415437      -1.01705360    
 H    1.32064044     -0.281737179     -0.930576324    
 H  -0.179945722     -0.153978437     -0.521676481    
 O  -0.483971566       1.75616407      -3.49809599    
 H   -1.35108423       2.11303210      -3.27075624    
 H  -0.601078808      0.805906713      -3.60504293    
 O   -1.75347412       3.63428593       3.51938677    
 H   -1.02942479       3.36237669       2.93828106    
 H   -2.40933967       4.04935169       2.94497132    
 O   -3.75722957      0.671640158      -1.10504818    
 H   -4.48466063      0.523905993     -0.489683181    
 H   -3.57263350     -0.172592416      -1.54808903    
 O   -3.10219431      -1.69054842      -2.24030447    
 H   -2.29247451      -1.58208311      -2.75524735    
 H   -2.91854835      -2.35443950      -1.56348479    
 O   -1.42103899      0.737259209      0.458926290    
 H   -1.63255203      0.314480901       1.30245495    
 H   -2.23565173      0.779689074      -5.67147993E-02
          69
 Energy    -249.74821174682563     
  O     14.20555018      3.08985197    -13.63980840
  H     14.07643223      2.33726526    -14.21171539
  H     16.28391166      8.02643985    -14.92896457
  O     17.78542180      5.54747173    -12.51844353
  H     13.48070798      3.07138741    -12.99009922
  H      9.25556833      7.77052958    -10.00767873
  O     14.02740979      8.59717365    -10.44836774
  H     17.46535012      6.11898473    -13.22653861
  H     10.67212158      7.20104050     -9.75290745
  O     12.61564363     11.22617041    -13.71403473
  H     17.94773541      6.13309355    -11.76982746
  H     12.71835386      5.89750237    -11.54799720
  O     18.02435958      7.57252733    -10.46129037
  H     13.92463408      7.69461555    -10.79451908
  H     13.98834545      6.04149080    -12.40252537
  O     16.46712523      3.19918106    -11.84567791
  H     14.02302734      8.51703018     -9.48800002
  H     14.13806610      8.21040343     -6.90645555
  O     11.85838484      9.18586377    -12.02067598
  H     12.08437437     12.00976033    -13.59556712
  H     14.85693228      7.33092845     -7.95818601
  O     12.94284330      9.40102900    -15.88881026
  H     12.27894366     10.56373093    -13.08842071
  H     12.59803004      2.94334066     -8.34122946
  O     15.05974519      4.38516367     -9.85642870
  H     18.87030331      7.99274872    -10.32409515
  H     13.53643068      3.81108481     -9.21183165
  O     15.49426814     10.98241503    -13.76302284
  H     17.48325578      8.19769051    -10.97225984
  H     15.51378740      8.99837790    -11.36792128
  O     15.64982001      9.32073827    -16.11180035
  H     16.99913190      3.95972725    -12.12722453
  H     16.10929746      9.87477941    -12.50503428
  O     16.45726517      7.43677103    -14.18422956
  H     15.78056762      3.08480507    -12.51239549
  H     16.90712858      6.85453470     -9.10362157
  O     10.10251051      7.62574877    -10.42087884
  H     12.64775079      9.09556569    -11.46573275
  H     15.94238905      5.66677286     -8.88812909
  O     13.65470708      6.12346015    -11.49918220
  H     11.14355665      8.77138963    -11.52281433
  H     12.50653944      6.80534839     -8.31464909
  O     14.02778092      7.80589908     -7.76228578
  H     12.76906965     10.12376926    -15.27270620
  H     11.97122529      5.41843217     -8.75364556
  O     12.60259534      3.62877084     -9.00485352
  H     12.48972882      8.63466647    -15.51522193
  H     15.07270333      6.27704658    -14.25960338
  O     16.29664021      9.12448464    -11.92232055
  H     14.60007663      5.02179868    -10.42435234
  H     14.33283317      4.88136391    -14.12770651
  O     16.25490422      6.49268606     -8.49238049
  H     15.62154468      3.86008957    -10.44547922
  H     11.56447648      3.90642504    -12.05052180
  O     11.74092603      6.35312488     -8.68987857
  H     15.63415298     10.53846272    -14.60877432
  H     12.25367291      3.18275927    -10.88454400
  O     14.21475936      5.83883636    -14.17575376
  H     14.54705699     11.15889970    -13.71281784
  H     10.46901221      6.23675689    -11.64120526
  O     12.13902078      3.15649793    -11.84086200
  H     15.91737804      9.52868853    -17.00295649
  H     11.09148285      6.11545659    -13.05428184
  O     10.91253358      5.62477843    -12.24064727
  H     14.67618237      9.29950579    -16.10857470
  H     12.71674212      6.82411960    -14.28545391
  O     11.89558470      7.34018439    -14.24312689
  H     16.39610985      7.98390417    -13.38828152
  H     11.97446463      7.95963894    -13.50447333
          69
 Energy    -249.74809646750094     
  O     11.06831772     10.42013179    -11.28964961
  H     10.56802323     10.30724935    -12.10770614
  H     18.05478299      5.91914987    -17.19134400
  O     13.31448384      7.61002612    -15.17739689
  H     11.95409295     10.70213494    -11.55154359
  H     15.37929055     11.97573770    -14.51210349
  O     17.93430643      8.97878864    -16.45220888
  H     12.85568716      8.45851297    -15.13308732
  H     16.01320524     13.10991900    -13.67036242
  O     12.34248478     10.16470742    -14.68172797
  H     14.13292841      7.74231841    -14.66991801
  H     15.26984720      8.16511925    -12.69744576
  O     15.39419093      5.32728496    -10.31212560
  H     17.23471995      9.39836493    -16.96834032
  H     16.03292452      7.16326587    -13.62928906
  O     12.64015925      5.82132372    -13.16256002
  H     17.90147584      9.37751798    -15.57284968
  H     10.03674407      8.19955516     -9.26930069
  O     14.90484240      8.73015413    -11.00764718
  H     12.79758348     10.35749358    -13.84864923
  H     10.78843876      8.95248482    -10.39479240
  O     15.64405443      9.84204110    -17.92524280
  H     11.40767537     10.05729942    -14.46794882
  H     18.17173376      7.54591433    -11.59330423
  O     15.01793392      4.21376134    -12.93410388
  H     14.52776750      5.74519568    -10.20964923
  H     18.37624510      8.41766493    -12.85510611
  O     17.46839716      9.86550595    -13.82101455
  H     15.33711871      4.83354950    -11.13820815
  H     10.87196069      6.55053382    -12.90167027
  O     14.88259824      7.27280211    -17.47289139
  H     13.36686352      5.18744148    -13.13698368
  H     10.19095140      7.31357032    -11.74494535
  O     17.46648345      6.31932722    -16.55611223
  H     12.81187610      6.40388150    -13.91740367
  H     17.27352755      5.82522078    -14.81625566
  O     15.80462011     12.17968557    -13.65785491
  H     14.21313341      8.08967610    -10.78385397
  H     17.75800957      6.22925788    -13.38275031
  O     15.47990091      7.95484166    -13.61693034
  H     15.71674926      8.43523776    -10.57801906
  H     16.59766172      6.58027975    -10.07774578
  O     10.61254029      8.07124626    -10.01777277
  H     15.60754838     10.04097990    -18.85726102
  H     17.56100656      7.33746223     -9.13238797
  O     18.55679693      7.54692743    -12.47895872
  H     15.31710320      8.93091959    -17.82042679
  H     14.88582569     10.93639613    -16.62045880
  O     10.12474049      7.12270220    -12.68917557
  H     15.11948881      3.29303903    -13.16382096
  H     13.68151420     11.05260805    -15.65038539
  O     17.11355892      5.69349442    -13.87169383
  H     15.79079497      4.67828348    -13.29880377
  H     12.84841286      6.46602469    -11.46955176
  O     17.15318686      7.37638313     -9.99360965
  H     17.06093686     10.72979458    -13.69596026
  H     12.19033360      7.17208900    -10.24881151
  O     14.51202444     11.47240143    -15.91065993
  H     16.73097008      9.23546795    -13.82984969
  H     14.39024105     11.40447704    -12.66271227
  O     13.01239442      6.78075700    -10.56813465
  H     14.25328177      7.28665974    -16.73819846
  H     14.12942254     10.15927318    -11.78450115
  O     13.68864048     10.85271538    -12.29633073
  H     15.66884557      6.81117790    -17.15925868
  H      9.86565742      8.69173544    -13.43281141
  O      9.77534580      9.61664610    -13.72430277
  H     17.70241158      7.26451988    -16.51440736
  H      8.88793250      9.71550802    -14.05795203
          69
 Ord_Energy   -249.748093    
 O   -3.67016768       2.42220259     -0.976626456    
 H   -3.71395469       3.08717775      -1.67447853    
 H   -3.02221107       2.73989248     -0.330463409    
 O    3.35389137      0.852185011     -0.908602357    
 H    2.93705297       1.65943396      -1.24092019    
 H    3.00232983      0.144218907      -1.46053803    
 O    2.89709353      0.932638824       1.77079785    
 H    3.14128447      0.845487773      0.831519842    
 H    3.68882394       1.18547714       2.23852634    
 O    1.31962729      -1.38627839       2.32792425    
 H    1.87974370     -0.603267372       2.25162315    
 H   0.471795350      -1.08357394       2.67695236    
 O   0.591254532       5.35221434      -2.52034879    
 H  -0.160974666       5.43604183      -1.90651679    
 H   0.916815221       6.23313951      -2.68219924    
 O   -3.35411143      -2.27271247      -1.65763021    
 H   -2.61977363      -2.79606175      -1.31630778    
 H   -2.98714828      -1.42185831      -1.93582106    
 O   -1.37019229     -0.407826930       2.73906612    
 H   -1.21881020     -0.254810184       1.79328918    
 H   -1.90018344      0.340798140       3.03457785    
 O   -1.88232851       3.37044597      0.993164122    
 H  -0.961158812       3.07317972      0.979031563    
 H   -2.28196573       2.97245216       1.77598643    
 O   -1.01335490       3.56530356      -4.10346460    
 H  -0.623437107       2.69104505      -3.98302889    
 H  -0.391914159       4.19384670      -3.71471024    
 O    1.91561401      -1.05392051      -2.50684977    
 H    1.58895600      -1.53760767      -1.72874808    
 H    2.31164169      -1.70209742      -3.08464003    
 O    1.62222409       2.88901663      -1.74748409    
 H    1.39782882       3.78839159      -2.01518416    
 H    1.07782090       2.28824139      -2.27776074    
 O   0.115466230       1.07154810      -3.23631024    
 H  -0.748470545      0.782706916      -2.90641141    
 H   0.715876222      0.326131254      -3.11622071    
 O   -4.74457216      0.940614283       1.16295075    
 H   -4.53976440       1.41807318      0.348209530    
 H   -4.85950470       1.34025803E-02  0.922300518    
 O   0.688723207       2.37372684      0.789784610    
 H    1.03540289       2.63546181      -7.62782022E-02
 H    1.42031288       1.98567736       1.28470159    
 O   -2.26575398      0.277895212      -2.04734325    
 H   -2.86231709       1.00164843      -1.81781888    
 H   -1.72424376      0.139373437      -1.25206590    
 O   -1.35797989      -3.79064560     -0.195645645    
 H   -1.81366670      -3.45728183      0.599344015    
 H   -1.43461156      -4.74116135     -0.175510809    
 O   -1.61952436       5.42042398     -0.954950690    
 H   -1.72876275       4.84090376     -0.190139830    
 H   -2.31602263       5.17878008      -1.57845044    
 O   -3.36154127       4.35302019      -2.97260499    
 H   -3.92707348       4.75262499      -3.62765241    
 H   -2.57188797       4.02893257      -3.44164443    
 O  -0.665184677       4.22155410E-02  0.103381790    
 H   -5.07871918E-02 -0.693597317      -1.35593303E-02
 H  -0.153253675      0.838117301      0.298978686    
 O   -2.70662594      -2.73805308       1.89614606    
 H   -3.54459953      -2.41325212       1.54378021    
 H   -2.28479457      -1.98693156       2.33342218    
 O   0.939402342      -2.22789097     -0.242090866    
 H   0.193269923      -2.84286427     -0.257358611    
 H    1.17995989      -2.07418442      0.685233891    
 O   -3.08377528       1.85055232       3.07605076    
 H   -3.73264241       1.49586391       2.43933392    
 H   -3.57955718       2.16065454       3.82906818    
 O   -4.98631525      -1.78816938      0.460518837    
 H   -5.81888342      -2.23991823      0.349522740    
 H   -4.46591997      -1.95836389     -0.344619989    
          69
 Energy    -249.74783430630265     
  O     11.02817429      8.64148388     -9.43536483
  H     11.63215525      8.95059564     -8.74883275
  H     10.42083559     10.81265335    -11.98229615
  O     14.10136481      9.38210376    -16.85300429
  H     10.74526669      9.42405268     -9.92728904
  H     12.22301840     13.31994644    -13.47273421
  O     12.03793589      6.89960812    -11.19754319
  H     13.55295266     10.18669273    -16.82151150
  H     13.26937539     12.29415222    -13.96518481
  O     14.47676454      8.80252987    -14.11990991
  H     14.65903138      9.46271301    -17.62215764
  H     11.62325036     14.06969814    -11.19530743
  O     12.22861543     12.24948901     -7.76791343
  H     11.83122070      5.99997145    -10.96063330
  H     13.02321751     14.54517950    -11.64854644
  O     12.39754216     11.50758664    -16.72182897
  H     11.62146013      7.47528128    -10.53028249
  H     14.68027541      8.44087891    -12.22101175
  O     11.81245581      8.16039941    -13.69519848
  H     13.55034904      8.56914432    -13.95428751
  H     13.68914123      7.77087840    -11.23539503
  O     15.39936399      9.32198956     -8.86431402
  H     14.53549088      8.92587421    -15.07584220
  H     16.05146193     12.41955921    -12.48061771
  O     13.38914862     10.98506715    -10.89982776
  H     13.08113398     12.57202149     -8.09688194
  H     16.80307466     12.40084540    -11.12729086
  O     12.87500687      9.63313639     -7.51241412
  H     11.56555416     12.65361157     -8.33878552
  H     11.17299775     11.35987553    -13.91095911
  O     14.80364559     14.85766060    -11.03885096
  H     11.50254230     11.15057433    -16.76842637
  H     10.13630983     10.49358268    -14.66749744
  O     10.65547757     10.90983459    -11.05062988
  H     12.41414359     12.06559823    -15.93266786
  H     15.43635620     12.47533707     -9.07363262
  O     12.39806131     12.66506526    -14.16371578
  H     11.34836245      9.00568679    -13.61913798
  H     14.59978622     13.64078259     -9.66777421
  O     12.14525173     14.30570864    -11.96986089
  H     11.75710546      7.69997356    -12.84991891
  H     14.73787758     10.55039368    -13.64689493
  O     14.45614523      8.35659227    -11.28637604
  H     14.57185421      9.40245064     -8.37411925
  H     14.22126481     11.36911186    -12.44209059
  O     16.56474110     12.96806008    -11.86993609
  H     15.19771380      8.82129078     -9.66689354
  H     10.42968260      9.28579662    -16.56725453
  O     10.52639523     10.64598578    -13.79850137
  H     13.77660321     11.55171847    -10.22170229
  H      9.14711797      9.98462223    -17.07995900
  O     14.55484080     12.86922083     -9.08799428
  H     13.78567120     10.10625122    -10.84000346
  H     17.78724713     11.40564181     -8.94203235
  O     14.71351839     11.44101725    -13.27491258
  H     12.79485711      9.38305504     -6.59492522
  H     16.46251463     10.65578391     -9.20748359
  O      9.89370021     10.09622370    -16.49818785
  H     12.60729371     10.56809248     -7.56745146
  H     10.41910636     12.46202250    -10.23306773
  O     16.95796778     11.46997064     -9.40840179
  H     15.47163166     14.25402881    -11.41122111
  H      9.59773045     13.65494574     -9.69276611
  O     10.48729413     13.32091429     -9.78134335
  H     15.17673120     15.73461473    -11.07035332
  H     11.64307544      7.84606593    -15.52177632
  O     11.60497105      7.97694509    -16.48018160
  H     11.62562260     10.95705427    -11.01428168
  H     12.47687834      8.30753485    -16.72853096
          69
 Energy    -249.74755175231581     
  O     -1.09938305      0.35494638      0.77354256
  H     -1.95520815      0.78865280      0.87932015
  H     -3.77729323     -1.69656946      3.29032298
  O     -1.96357299      4.45767591     -1.44835904
  H     -1.25165211     -0.59665253      0.80538976
  H     -4.19482718      5.01269203      3.90952696
  O     -2.41590703      4.17189937      1.28112129
  H     -2.18945070      5.06984528     -2.14369570
  H     -3.23926844      4.35649950      2.88814793
  O      1.80736225     -1.02083738     -0.73593867
  H     -1.93898541      3.57279826     -1.85411115
  H     -0.78891915      0.23208289      5.09418231
  O     -4.08422895     -2.48762026      1.59016314
  H     -1.51263656      4.04331965      1.60858239
  H     -0.15828628      1.18334251      4.06186833
  O     -4.36935736     -0.47376920     -0.39599871
  H     -2.34673178      4.37750578      0.33999308
  H     -3.57483575      1.45994940      2.17668583
  O     -1.68008898      1.96845145     -2.50808676
  H      1.58356831     -0.10541421     -0.96341652
  H     -3.21643921      2.52666156      1.12168253
  O      0.66422647      1.44978376     -1.11197028
  H      1.09632315     -1.54886448     -1.11266621
  H     -2.50163726      1.38069007      4.26767155
  O     -0.55964050     -2.34245490     -1.80741947
  H     -4.42621770     -3.37825547      1.57589153
  H     -3.63078309      2.41799680      4.06120392
  O     -1.48478435     -2.45198471      0.83890969
  H     -3.14875136     -2.54026108      1.32238086
  H     -1.80595436      4.19543647      4.67550087
  O     -0.99536641     -1.64116561      5.16034419
  H     -4.20909853      0.33706877      0.10678158
  H     -0.81489054      3.07722888      5.05350460
  O     -3.48580279     -1.33608766      4.13566780
  H     -4.41929803     -1.17993698      0.25929886
  H     -0.08326058      4.39276480     -0.81196059
  O     -3.56906439      4.30103057      3.80057172
  H     -0.78359476      1.78704350     -2.18975179
  H      0.67485314      4.19175590      0.51665173
  O     -0.77451964      1.15340268      4.80847380
  H     -2.11125772      1.10963476     -2.54546964
  H      1.15742700     -2.02244115      2.60274940
  O     -3.52674928      1.61787295      1.22342402
  H      0.03722606      1.10007357     -0.46029654
  H      0.00777280     -2.21124874      3.63512226
  O     -3.42566081      1.47788371      3.99130239
  H      0.84744570      2.37027255     -0.87489390
  H      1.54882042      0.54898726      2.40496863
  O     -0.87544034      4.02227921      4.86024280
  H     -1.27293643     -1.74822277     -2.09134973
  H      0.10757525      0.86067130      1.95472537
  O      0.76633328      4.12478351     -0.44347180
  H     -0.44614876     -2.98475151     -2.50442821
  H      0.51207701      2.95170383      2.33261135
  O      0.36469770     -2.53611379      2.79940466
  H     -0.79558373     -2.57820166      1.51129753
  H     -0.08171987      4.07602739      3.20689465
  O      0.81703062      1.15976426      2.54493419
  H     -1.10320883     -2.57693697     -0.03731149
  H     -3.30029152     -0.86381112     -3.28879609
  O      0.15744756      3.85098752      2.29675375
  H     -1.90280855     -1.60457352      4.80636528
  H     -3.33393730     -0.65533353     -1.75890262
  O     -2.73953021     -0.73843180     -2.52677058
  H     -1.03426276     -2.15993234      5.95978465
  H      3.49265667     -1.09437725      1.94343888
  O      2.55293742     -0.94870648      1.87638268
  H     -3.66166055     -0.38627197      4.11206342
  H      2.32760918     -1.00912754      0.93035354
          69
 Energy    -249.74741782653632     
  O     13.00617038     10.07235136    -14.65187952
  H     12.47604741      9.57550469    -14.01212250
  H     12.08959702      7.52206060     -9.67339911
  O     15.07494190      9.58988240    -10.50248959
  H     13.24119767      9.43820735    -15.34038906
  H     12.49976995      3.81533368    -14.64617735
  O     14.70443791      4.52956658    -12.57807801
  H     14.26774017      9.09747248    -10.30564822
  H     13.18002328      3.99522055    -13.26876212
  O     10.94368345      2.87915073    -11.51119922
  H     14.94844036     10.02398560    -11.35439285
  H     14.52159110      6.20738348    -13.24735214
  O     17.55827878      8.54970247    -10.62423333
  H     14.59808557      4.85634756    -11.67139401
  H     15.26559280      7.56925138    -13.36302069
  O     16.85124322      8.49891696    -13.35833315
  H     15.63795383      4.32556970    -12.70651930
  H     17.47364430      4.86132829    -11.91871226
  O     12.92644846      4.28021604    -16.33593715
  H     10.66186505      1.97393376    -11.61673906
  H     18.10265763      3.63045564    -12.61566473
  O      9.56139495      5.36772571    -11.34953187
  H     11.42520498      3.11614742    -12.32163783
  H     17.41021961      5.51157231    -14.24868225
  O     15.17390487     10.76287446    -13.15968821
  H     18.16232009      9.08007705    -10.11192547
  H     17.22858818      7.01807146    -14.51266527
  O     12.28137448      4.09078412     -9.25214413
  H     16.66764398      8.92119930    -10.48443784
  H     13.76967588      4.98257064     -9.68875733
  O     10.64378618      6.45626047     -9.10755207
  H     17.22988968      8.46139351    -12.47015332
  H     13.96327856      6.45498346    -10.12588039
  O     12.80574919      7.93770273    -10.16932618
  H     16.37872199      9.34082856    -13.41020963
  H     17.38949867      6.70387294    -10.46117862
  O     12.33093860      3.80151734    -13.69343322
  H     12.29016819      4.96998120    -16.56001127
  H     16.26513217      5.68514700    -10.18106762
  O     14.41065911      7.13720604    -13.47966756
  H     13.79704713      4.65706500    -16.51216778
  H     15.92956415      5.43234901    -17.70539925
  O     17.50368534      4.35897492    -12.75418985
  H      9.88779158      4.45854712    -11.35372657
  H     16.08205958      5.81199637    -16.21818235
  O     17.23999285      6.15594547    -14.94707135
  H      9.73889954      5.70331283    -12.23721420
  H     12.89860867      7.86001407    -12.98313051
  O     14.41257079      5.60266344    -10.06408336
  H     15.33891192     11.69915921    -13.23755684
  H     11.39974467      7.53393842    -13.12048978
  O     17.18292571      5.76155906    -10.47675055
  H     14.39572365     10.57328185    -13.71112336
  H     13.90892330      7.51429307    -15.16548450
  O     15.43036638      5.66245491    -16.92595383
  H     11.69632543      4.83715496     -9.06873509
  H     14.31504747      7.14455692    -16.59050090
  O     12.01024154      8.20999370    -12.80000818
  H     11.86233299      3.59630975     -9.96676909
  H     12.07166195      7.09032837    -16.43132412
  O     13.71168385      7.71149825    -16.09464774
  H     10.20103279      6.13835722     -9.91500875
  H     10.79043613      7.05747629    -17.29682297
  O     11.23315405      6.61937947    -16.57451332
  H      9.95524912      6.66435774     -8.48152808
  H     10.64857850      6.26013733    -14.81471506
  O     10.62243595      6.04231413    -13.87543527
  H     12.44963246      8.10041512    -11.05516294
  H     11.21697429      5.28630233    -13.76383046
          69
 Energy    -249.74725463229908     
  O     15.41604779      6.30624372    -14.35511116
  H     16.36565454      6.33720183    -14.17870019
  H     16.56245027     11.08639883    -16.62930286
  O     18.50932748      8.89166088    -12.00299504
  H     14.96631109      6.29192410    -13.49592167
  H     14.27741251      9.32154283    -14.51936515
  O     11.20082920      7.38079135    -15.07161833
  H     17.72260938      9.45472052    -12.03905535
  H     15.23840939      8.09401503    -14.41366412
  O     15.93186225      7.63863885     -8.87423543
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  H     12.86685568      9.67793826    -11.27331561
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  H     10.44037765      7.18338146    -15.61135617
  H     11.56889275     10.48784835    -11.05422406
  O     16.30173289     10.49679199    -12.44452949
  H     11.97947220      7.03286875    -15.54354293
  H     17.97402503      5.66659040    -12.09458193
  O     14.42098659      8.65367360    -18.08123864
  H     15.64807555      6.74541819     -9.10652362
  H     18.22739222      6.07865182    -10.62881932
  O     15.41290130      5.03840613     -9.98739763
  H     15.39715757      8.23948449     -9.40900798
  H     11.49410531      8.01333932    -11.98792060
  O     16.75094991      9.18636264    -16.75532708
  H     13.20099314      6.61145026    -11.99341547
  H     11.32323506      7.09104136    -13.20895002
  O     13.44328040      6.61119977    -16.33555039
  H     14.43720618      5.95939168    -11.25019079
  H     18.91111896     11.04202565    -14.24251241
  O     19.23408948      8.15061395    -15.91829385
  H     15.92283058      9.98577413    -13.17920840
  H     19.31279100      9.82095244    -13.39356540
  O     16.19047262     11.91979154    -16.31510744
  H     16.69851360     11.27843757    -12.84718896
  H     18.20280424      7.47294215    -13.09770201
  O     15.20535272      9.05850973    -14.46465760
  H     15.30952014      8.81162582    -17.71881410
  H     18.53076879      7.01440132    -14.52571680
  O     11.99219438      9.87413733    -11.64902764
  H     14.51677883      8.61295204    -19.02982010
  H     17.64034662      7.68356721     -9.21636843
  O     17.82950138      5.39336722    -11.18084592
  H     16.27565198      5.07617062    -10.43948538
  H     19.11393874      7.68188550     -8.74017343
  O     11.50673028      7.08757992    -12.26010825
  H     15.32619937      4.16054287     -9.62663564
  H     13.06913088     10.80186329    -15.95159677
  O     19.47434781     10.25950044    -14.24104378
  H     17.60406582      8.78118600    -16.56558542
  H     13.70594629     10.31637958    -17.26132172
  O     18.09958370      6.73005131    -13.71166341
  H     16.25071159      9.20455344    -15.92306248
  H     14.47557412      8.26081491    -11.29737205
  O     18.56492240      7.62651021     -9.51733175
  H     13.78161206      7.26100497    -16.96383550
  H     15.14564446      9.67742894    -11.31690619
  O     13.54226488     11.10823553    -16.73562478
  H     14.17278566      6.37847386    -15.74557031
  H     17.04490536     12.30429975    -14.86592956
  O     14.51188303      9.11861374    -10.84560393
  H     20.03911269      8.00157397    -16.40691269
  H     17.78804463     13.34674958    -13.99856102
  O     17.56493426     12.42145315    -14.04977569
  H     19.38308059      8.93937812    -15.36433244
  H     11.99503908      9.01832045    -14.70749423
  O     12.50528621      9.79513624    -14.44152780
  H     15.23473131     11.81762016    -16.42583179
  H     12.30165364      9.95149277    -13.51155091
          69
 Energy    -249.74721964771015     
  O     15.97048585     11.62222145    -15.98821963
  H     16.78245585     11.70281717    -15.47412666
  H     17.95642090      8.66525823    -16.72501500
  O     14.08420723      5.93212860    -15.46834489
  H     16.24101022     11.39905909    -16.88736824
  H     16.87157630      8.70713874    -14.62116491
  O     18.32309096      8.04230839    -11.30025209
  H     14.13695500      6.04658253    -14.50896685
  H     15.87917482      8.42419762    -15.80156798
  O     17.56897866      6.59669515    -18.77798202
  H     14.94354549      5.59354478    -15.74546395
  H     14.42213152     11.09787695    -15.37611151
  O     14.35223454      8.82146524     -9.96295601
  H     17.88082232      7.22064882    -11.56507639
  H     12.91318562     11.40645518    -15.22270014
  O     14.41236100      6.56802409    -12.76069395
  H     17.96826359      8.26007740    -10.42975939
  H     16.45495922      6.52096047     -9.09881494
  O     17.00964685      9.68938515    -13.07521015
  H     18.11141791      6.29690356    -19.50330354
  H     16.51984532      5.52520691    -10.27124896
  O     16.87812932      5.62106392    -16.20178025
  H     18.02327767      7.36328552    -18.38825028
  H     13.98542698      7.56828450    -16.18514555
  O     13.53375993      6.07058875    -10.12429730
  H     14.26474769      9.13766770    -10.87186932
  H     13.78780903      9.13216536    -16.05683072
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  H     13.92766635      7.95485800     -9.94640433
  H     19.57322399      6.69242103    -13.85791318
  O     18.63884633      4.98660239    -14.21476924
  H     13.99018807      6.30942209    -11.93179593
  H     19.57003212      7.74888895    -12.73955952
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  H     17.51779414      5.37803148    -12.79134999
  O     16.76286622      8.23761900    -15.45578876
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  H     16.12824033      6.00245104    -12.42314275
  O     13.57164879     10.73465653    -15.06737908
  H     17.51965664     10.43881867    -13.40520919
  H     16.93955105      8.89944634     -8.11558433
  O     16.12354652      5.66591501     -9.39963970
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  H     15.96207573      8.64317341     -9.28624012
  O     14.20031649      8.43102243    -16.57282148
  H     17.07301281      5.73719836    -17.13896357
  H     16.83229834     11.39412875    -19.37340998
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  H     12.91248879      5.50530912     -9.67410940
  H     16.25955971     10.06123576    -18.83211606
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  H     13.93130824      9.84828739    -13.45143539
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  H     15.29418455      9.53546962    -12.79728331
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  H     18.04514558      5.11018326    -14.97409990
  H     19.03750439     11.03651969    -14.75718733
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  H     19.12012525      4.17720417    -14.36745728
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  H     16.00299654      7.79185737    -19.06338632
          69
 Energy    -249.74721095643099     
  O     16.56614729      4.99464117    -15.46107000
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  H     13.13285552      3.96594170    -15.00315382
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  H     18.43790329     10.34360177    -10.65182863
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  H     13.40520184      6.70465995     -7.29456792
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  H     14.22163521      6.49323597     -8.58952268
  H     13.54794686      6.62349719    -15.14783396
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  H     16.30947267      8.68292396    -16.42235138
  H     13.56902097      7.63671494    -13.99834184
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  H     17.09390965      8.55544215    -13.17560299
          69
 Energy    -249.74698191173883     
  O     12.68426056      9.52856790    -15.90776297
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          69
 Energy    -249.74682877268171     
  O     -7.54598826     -2.48390921      6.35577573
  H     -8.15729340     -1.81526794      6.68491716
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  H     -4.24139950     -1.68813568      7.27702853
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  H     -2.63462122      3.67086664      1.89929297
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  H     -4.63881466      1.99576543      3.46957238
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  H     -7.53733792      0.66094549      2.16966242
  O     -5.09700506      2.64934112      4.01776308
  H     -6.23284956     -2.93042665     -0.79228036
  H     -7.71621602      2.09352387      1.65526594
  O     -7.69858613      1.17540846      1.36348300
  H     -7.17950924     -1.99523078      0.00295975
  H     -6.62674259      3.26181373      3.19788761
  O     -7.38808513      3.60699558      2.70842396
  H     -3.01284396      1.44811731      2.12508799
  H     -7.01676127      4.18870305      2.03356984
          69
 Energy    -249.74599956953881     
  O     16.71595924     13.05676021    -16.18175596
  H     16.79854592     13.84907423    -16.70527301
  H     17.34810068      7.56190493    -18.09636770
  O     15.38483947      6.80473922    -13.99722142
  H     15.77984841     12.99110377    -15.91918069
  H     14.50549451      9.78887787    -15.04708590
  O     18.11323810     12.30903219    -13.78920336
  H     15.07551502      7.05115619    -13.10872096
  H     15.31140357      8.61437796    -14.40672962
  O     19.03280969      6.96385668    -17.74224095
  H     16.35291803      6.79624411    -13.98564439
  H     12.81929850     10.67316899    -12.41123540
  O     13.73280846      8.09769923    -17.89831447
  H     17.71291998     12.63966471    -14.60125260
  H     12.04054616      9.48710328    -13.01779011
  O     16.68924577      9.30324808    -10.45935104
  H     17.38183259     11.98872598    -13.24341433
  H     18.60243906      7.82045892    -12.61823678
  O     11.18641604      8.88270294    -14.60091186
  H     19.30573120      7.64053763    -17.10751492
  H     19.28185507      9.19396895    -12.43119664
  O     13.58681587     12.45405409    -12.64954177
  H     19.02257034      6.13640935    -17.24700110
  H     13.27097000      9.60074288    -16.85248924
  O     18.51341585      4.72183568    -15.98500325
  H     13.34420280      7.81333305    -18.72244620
  H     12.32461341      9.90075392    -15.66012613
  O     14.54609232      7.83906306    -11.67525055
  H     14.69500555      8.03558781    -18.01523364
  H     19.68149507      9.45096873    -15.01243317
  O     15.97425686      5.55280496    -16.50123660
  H     17.46704861      8.98809917    -10.95543469
  H     18.53371205      9.47127233    -16.05123104
  O     16.46922909      7.95576461    -17.99395355
  H     16.92740635      9.29326314     -9.53663717
  H     18.49796968      7.58029587    -14.70696237
  O     15.33702707      9.55583167    -14.61388450
  H     11.72710306      8.10360279    -14.82683892
  H     18.39653645      6.04215466    -14.63212601
  O     12.60723008      9.74264402    -12.28004261
  H     10.27502314      8.60462943    -14.62577710
  H     20.92494336     10.95217936    -13.33519703
  O     18.77303068      8.51602383    -11.97014496
  H     13.44733832     13.11987967    -11.98053593
  H     19.42475347     11.19432108    -13.63180876
  O     13.07849064     10.24415214    -16.15837119
  H     14.46471238     12.06818818    -12.48267381
  H     17.00227273     11.26546487    -16.64202563
  O     19.24500966      8.92216830    -15.69128614
  H     18.64514163      3.77918867    -16.03433505
  H     16.46862268     10.03896222    -15.87135749
  O     18.16656588      6.85201303    -14.16079864
  H     17.58123795      4.88889009    -16.21444030
  H     15.75107491     10.55168513    -13.17098767
  O     20.10793736     10.50552986    -13.53944837
  H     15.23037612      8.28001612    -11.15982440
  H     16.19505298     10.58328812    -11.67902429
  O     17.02558954     10.30253366    -16.62105961
  H     13.84523369      8.49219537    -11.82113211
  H     13.87990239     12.75133866    -14.50415186
  O     15.96393116     11.14208600    -12.43123457
  H     16.10989105      6.35637635    -17.02023988
  H     13.70090473     11.96002627    -15.81205292
  O     14.13086248     12.73967005    -15.43572431
  H     15.63454048      5.85156654    -15.64904267
  H     13.67009020      6.77428326    -14.83692018
  O     12.88639523      6.92792162    -15.37767174
  H     16.62514536      8.83324989    -17.61652464
  H     13.20661875      7.16016891    -16.25802690
          69
 Energy    -249.74545027041441     
  O     15.71923310     11.86958862    -15.47710110
  H     15.63777099     11.72703705    -16.42842315
  H     16.95760687      8.80702985    -17.09467846
  O     13.08900072      6.21352156    -14.80917254
  H     16.66314671     11.84830076    -15.27986067
  H     16.70964322      8.83532365    -14.73292973
  O     18.97550267      7.53496753    -12.39581167
  H     12.32491256      5.64545137    -14.85720239
  H     15.39057681      8.53305703    -15.51853301
  O     15.45108467      7.10852552    -18.98889267
  H     13.71359836      5.90543443    -15.49214026
  H     14.43243527     11.38453027    -14.42718641
  O     15.75083304      8.81169400     -9.42721013
  H     18.37177020      6.80030418    -12.57603646
  H     13.07586800     11.77655097    -13.79214833
  O     14.60343370      6.68431165    -12.48426864
  H     18.95517425      7.64048075    -11.43416117
  H     17.36370906      4.07741962     -9.34191254
  O     17.44174966      9.63273450    -13.24971173
  H     15.74498871      6.71253645    -19.80596995
  H     16.39369354      5.20818508     -9.76395109
  O     17.35815303      5.77143853    -15.42121101
  H     16.15003483      7.72476964    -18.71345473
  H     13.44503634      9.53875538    -14.95502463
  O     14.88172886      6.10901047     -9.73912589
  H     15.46248334      9.10039970    -10.30831312
  H     13.24636957      8.00220223    -15.25315612
  O     19.49940772      9.70445824    -16.50188980
  H     15.55810060      9.52886609     -8.82804729
  H     19.73820167      7.40424770    -14.16304669
  O     14.87906526      5.47696206    -16.68977298
  H     14.04664413      6.50259619    -13.25038612
  H     19.12063902      6.67170668    -15.36148991
  O     17.17882687      9.04240276    -18.01116726
  H     14.69546489      7.64275585    -12.39920241
  H     16.22872196      5.87489115    -12.62865652
  O     16.33815287      8.35494285    -15.48316166
  H     18.07885326      8.96362431    -12.96006471
  H     17.25612774      5.08977298    -11.78032399
  O     13.69360845     11.05589834    -13.88106593
  H     17.91124317     10.34934768    -13.69262563
  H     18.10753315      6.59788112     -9.66848812
  O     17.28750738      4.84596166     -9.90061196
  H     17.31863358      5.48363307    -14.49871470
  H     17.53484775      8.02009913     -9.56368256
  O     13.56351860      8.84137714    -15.61095025
  H     17.00081241      6.67411554    -15.43896416
  H     15.36903655     11.93939702    -18.96726527
  O     19.79178290      7.32227110    -15.12336477
  H     15.09925132      7.00823156     -9.46196129
  H     14.78214512     10.64993916    -18.34179547
  O     17.10172264      5.45654060    -12.65927033
  H     14.62098916      6.18943575    -10.66701369
  H     14.47559725     10.02378475    -12.53817272
  O     18.35328847      7.53096031     -9.70875950
  H     19.69886557      8.87513195    -16.04088089
  H     15.93457789      9.53158796    -12.40784695
  O     15.49235566     11.31209674    -18.25990439
  H     18.88163199      9.47767638    -17.20589328
  H     19.16300020     12.29265014    -14.75633766
  O     15.04409308      9.43253523    -12.03207773
  H     15.76018025      5.38266686    -16.30164554
  H     18.91030404     10.95659275    -15.49634259
  O     18.51342265     11.60790635    -14.88818912
  H     15.00392949      5.98098102    -17.50225178
  H     13.53327296      9.13063320    -17.41109189
  O     13.69483771      9.28834617    -18.35276034
  H     16.73066280      9.87972306    -18.18563021
  H     14.14197109      8.49749212    -18.67765104
          69
 Energy    -249.74515658735507     
  O     14.19943491     12.66610253    -14.38532803
  H     13.70888353     12.07634884    -14.97518054
  H     11.10904700      7.87648540    -15.18733683
  O     13.05550590      6.97981946    -13.20561891
  H     15.12484163     12.57634273    -14.63780854
  H     16.75295419     10.79534914    -16.43669739
  O     17.73797534      7.50870992    -13.17392251
  H     12.38682566      6.77236581    -13.86785955
  H     17.26111461      9.36874485    -16.71324061
  O     18.21993047      7.92761104    -15.90200840
  H     13.54960944      7.72635113    -13.58204075
  H     15.00737158      8.11593254    -15.02646343
  O     10.85220715      9.49046084    -14.66745269
  H     16.96526602      6.92560849    -13.18168342
  H     15.30185791      9.29991072    -14.05325087
  O     16.59358163      8.66740009     -9.30743739
  H     18.15161806      7.40327359    -12.30695508
  H     13.10029645     13.26029099    -11.49569843
  O     13.11645216      8.24289840    -10.76443514
  H     19.08297171      7.61100726    -16.15904713
  H     13.67593512     12.54507765    -12.74071901
  O     16.67980270     10.07802813    -13.09083881
  H     18.14717162      7.78303526    -14.94475234
  H     17.15863549      5.77828195    -10.55307045
  O     13.56134617      7.10976372    -17.33497054
  H     11.47680158     10.02352767    -15.17609797
  H     16.06797304      5.27995787    -11.52420749
  O     14.60148194      6.63286309     -8.98070345
  H     10.98435561      9.73664873    -13.74064468
  H     11.90312247      9.56195703    -11.49392239
  O     15.73631984      6.52385457    -15.84984994
  H     16.12613456      9.36804567     -9.78029266
  H     12.06100608     11.01206920    -11.97824818
  O     11.35483528      6.97324749    -15.46249902
  H     15.91409369      8.03479543     -9.04171628
  H     15.65760970      5.77790192    -14.20961582
  O     16.68663733     10.06097743    -17.05994892
  H     13.01647369      7.71633815    -11.57146817
  H     14.64651722      6.04513546    -13.09319459
  O     14.60007780      8.82665737    -14.51494114
  H     13.50687428      7.66500013    -10.09808744
  H     19.29635975      7.16851098     -9.98933008
  O     13.39822449     12.41340416    -11.81656336
  H     17.12449701      9.22211291    -13.04480692
  H     17.87704407      7.78106272    -10.07133771
  O     16.32967308      5.28751758    -10.59302648
  H     16.13376846     10.17859279    -12.29714490
  H     14.34693961     10.00009004    -19.19772750
  O     11.49904858     10.23275754    -12.05699952
  H     13.66179619      7.99788863    -17.69850908
  H     15.15261039      9.83791817    -17.88771977
  O     15.54796480      5.73090902    -13.24830930
  H     12.78378588      7.11234037    -16.76267524
  H     14.48920641     11.09967833    -11.14224846
  O     18.51186199      7.20027904    -10.52967661
  H     15.16951130      6.07587454     -9.54234739
  H     14.33472606      9.57527856    -10.90923080
  O     14.27169179      9.72558409    -18.28779895
  H     14.34137960      6.09827653     -8.23530589
  H     16.90878314     11.35367544    -14.26936061
  O     14.98428241     10.29304288    -10.94944504
  H     15.02478531      6.63664728    -16.50007885
  H     17.67019313     12.58116461    -14.82474108
  O     16.92565748     12.00797432    -14.99002608
  H     16.54883871      6.91465864    -16.18421536
  H     13.33555124     10.48164374    -16.83988132
  O     13.06664766     10.65234649    -15.93024391
  H     10.54319455      6.52535184    -15.68502611
  H     13.55696022     10.00780300    -15.39514447
          69
 Energy    -249.74476828014900     
  O     11.70436361     12.29653887    -13.07526398
  H     11.28884559     11.43122890    -12.95252170
  H     18.46045214     12.15809059    -13.71818318
  O     19.57495447      8.77903562    -10.75947909
  H     11.92519473     12.60934490    -12.19060660
  H     13.40351023      7.86479241    -15.24852914
  O     16.64070949     10.81925561    -11.26796625
  H     18.73546863      8.61066436    -10.31422767
  H     13.49559570      7.31629876    -16.69080559
  O     12.85138563      7.95737186    -13.55042149
  H     19.67496747      8.07241417    -11.40942532
  H     15.32390523     10.38855134    -12.32932131
  O     16.86043601      6.52040726    -12.21177555
  H     17.47164362     10.88850553    -11.75642899
  H     14.35923415     10.83601155    -13.48108957
  O     14.04009241      6.36545888    -11.62985328
  H     16.69288925     10.00888014    -10.74279238
  H     14.63942474      9.68762821    -16.48634519
  O     19.57998896      6.94298926    -13.00678118
  H     13.35809097      8.75090635    -13.32837825
  H     14.63250429     11.14169553    -15.95856794
  O     13.94417295     12.16443682    -14.59637142
  H     13.16146222      7.28030143    -12.93006222
  H     13.67228111      8.76321058     -9.59836939
  O     18.64142807      8.90704912    -14.76448162
  H     17.80259629      6.43048157    -12.39435394
  H     13.67206946      7.78067949     -8.40391592
  O     16.79364254      8.32668479    -10.06387719
  H     16.50744617      7.02814964    -12.95848369
  H     16.60277691     13.63218292    -13.97087087
  O     17.80026523     10.87206673    -16.59582675
  H     14.97522461      6.18515550    -11.78214527
  H     15.91533093     15.01810932    -14.02660145
  O     17.97044479     12.66823500    -14.37539910
  H     13.99897919      6.81189183    -10.77539950
  H     15.41876906     13.62266240    -11.96962280
  O     13.91872697      7.90642372    -16.07278000
  H     19.37411776      7.59777994    -13.69330970
  H     15.77405463     12.45683440    -11.02310386
  O     14.58875426     10.10295167    -12.89239665
  H     20.31425553      6.42813896    -13.33340380
  H     13.57451398     13.08317609    -10.61937484
  O     15.10777896     10.52736194    -16.53592400
  H     14.51260268     12.90636243    -14.35476785
  H     12.35945160     13.57837073     -9.79578457
  O     14.10899459      7.97689480     -9.22888599
  H     13.08571311     12.28924817    -14.16074263
  H     18.95242388     10.12822898    -13.39095589
  O     15.78610281     14.11517814    -13.74888377
  H     18.55877548      9.53905169    -15.48900485
  H     19.38547264     10.19141335    -11.91234001
  O     15.21660058     13.24136399    -11.10651887
  H     17.73490978      8.60142196    -14.60267443
  H     11.40048349      9.75157708    -11.59270442
  O     12.64379522     12.89580733    -10.39688346
  H     15.94647727      8.19935677     -9.62009404
  H     11.31370861      8.97817888    -12.90578012
  O     19.05441288     10.73312908    -12.64371058
  H     16.81681449      7.67909055    -10.78332778
  H     13.50300005     10.14061625    -11.33131200
  O     10.89136282      9.69003304    -12.41005714
  H     18.03940591     11.13061311    -17.48208337
  H     12.82902449     11.06654105    -10.30264860
  O     13.01462175     10.13826393    -10.49737117
  H     16.83600682     10.73160065    -16.59733895
  H     15.61946988      8.87317780    -13.80389647
  O     16.05747320      8.15520269    -14.28109998
  H     17.93746068     12.12163230    -15.16975843
  H     15.45944939      7.91357696    -14.99818406
          69
 Energy    -249.74469664844915     
  O     -3.94449032      1.57208146      4.56429773
  H     -4.50176310      0.82468465      4.81900395
  H     -3.53267611      2.25386145      0.59274303
  O      0.97100873      4.41424247      1.06107199
  H     -4.37724849      2.38495993      4.85942758
  H     -5.68486075      2.56417576      1.52226102
  O     -0.84324746     -0.01855174      1.66538632
  H      1.04469489      3.62717334      0.49207846
  H     -6.12915033      3.42263460      0.32552694
  O     -5.65036559      0.23799638     -1.17535278
  H      1.55940570      5.07156165      0.69967092
  H      1.52517451      1.45142642      0.28671169
  O     -3.31038822     -1.03731353     -1.54307754
  H      0.11328589     -0.05168399      1.78859112
  H      0.37176828      1.67702686     -0.71415252
  O     -4.37782751      1.28139448      1.82484681
  H     -0.98959125      0.31589314      0.76827750
  H     -5.05513906      4.68071127      5.84386969
  O     -7.55898735      3.37916981      3.71880116
  H     -6.23517454      0.02011770     -0.43768608
  H     -4.79852524      4.46884365      4.33161511
  O     -7.35456017     -0.54866192      0.95688085
  H     -5.70501906      1.19057873     -1.31126581
  H     -1.64568702      3.52931247      2.46548032
  O     -1.41874634      2.04304869      3.49259141
  H     -3.40994718     -1.70789569     -2.21325961
  H     -0.81922816      4.48624843      1.57219114
  O     -5.42888762      3.08915936     -1.44739753
  H     -4.16951903     -0.58148392     -1.46973312
  H     -4.89862241      4.56313762      2.14332014
  O     -5.54339210     -2.01705162      2.66145697
  H     -4.15276741      0.36665602      1.62099112
  H     -3.40606672      4.88824267      2.43061283
  O     -3.08058780      2.83034835     -0.04418597
  H     -4.22313875      1.40882350      2.77025735
  H     -5.86026026     -1.17543985      5.70773680
  O     -6.14405729      3.38460446      1.28735861
  H     -7.21225244      3.51434819      2.82548638
  H     -5.57958609     -1.17233165      4.18665329
  O      1.16334844      2.08751748     -0.34290540
  H     -6.84340936      3.63331338      4.31245149
  H      1.29359300      3.35901584      2.66275219
  O     -5.12140560      4.03684095      5.14407692
  H     -7.49960492     -0.04363969      1.77769230
  H      0.40831951      2.48781282      3.57462116
  O     -1.71807308      4.27826056      1.85401098
  H     -8.20349479     -0.91257319      0.71633262
  H      2.71684775     -0.02836784      2.16224071
  O     -4.30432711      5.00609559      2.76288260
  H     -1.29381015      1.30053706      2.88482798
  H      1.80382729      1.18785862      2.45528369
  O     -5.64615882     -0.60380410      4.97519839
  H     -2.21839671      1.86270907      4.00294804
  H     -7.75355111      1.59702750      3.52924980
  O      1.32561931      2.64275355      3.30882849
  H     -5.39442137      3.65608802     -2.21348320
  H     -7.09081754      0.28400628      4.00469901
  O      1.92253826      0.41335090      1.87586611
  H     -4.53817104      3.08930712     -1.05583840
  H     -3.27164131     -1.33601851      0.30770351
  O     -7.69701688      0.64759271      3.35111834
  H     -6.19247529     -1.64370616      2.05266723
  H     -2.39167842     -0.99440376      1.53886166
  O     -3.27221243     -1.29131387      1.27206499
  H     -4.68974500     -1.93233015      2.21411856
  H     -1.92365411      1.64208912     -0.72002063
  O     -1.33828446      0.90098593     -0.93765166
  H     -2.57450489      3.45835419      0.48757474
  H     -1.90816336      0.20383535     -1.28419541
          69
 Energy    -249.74466046566221     
  O     10.52351312     12.89552373    -13.33845785
  H     11.04332225     13.22750128    -12.58472856
  H     12.81562866     14.24951774    -11.42963283
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  H      9.64412119     13.25141035    -13.24291675
  H     14.76155230      9.74604412    -17.71356035
  O     18.24623844     11.54263834    -14.05124632
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  H     14.00697126      9.36532659    -19.00558941
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  H     14.23734065     10.36793666    -12.04850476
  H     15.75410694     12.71642006    -15.15982524
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  H     17.70948189     11.97742907    -14.72516713
  H     15.68515850     12.64510629    -16.68404599
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  H     18.48968350     10.68934604    -14.42862906
  H     19.25735407      8.81715541    -15.98538939
  O     16.15210910      9.71441239    -16.50205824
  H     14.99737894      7.23734037    -11.45775978
  H     17.76130654      9.17966253    -15.85442345
  O     13.06915223     11.92577334     -9.31187330
  H     14.26652249      8.37841488    -10.71037173
  H     14.58018606     14.29397476    -12.65976284
  O     14.48436978     13.07160223    -13.89812790
  H     12.31221270     11.62588199    -15.58048504
  H     14.89016076     15.72664304    -12.16282453
  O     14.60355852      8.67029476    -14.50897372
  H     11.59893226     12.79620920    -14.86156958
  H     17.90664034      7.83841530    -12.32757347
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  H     13.43547747     12.84686636    -17.05355657
  H     18.13519294      7.89852234    -13.86362388
  O     12.01686989     13.73984240    -11.24702196
  H     14.00039083     11.81977828    -18.04243237
  H     16.18985617     12.42668231    -10.45179060
  O     13.92892973      9.86748851    -18.19806080
  H     15.62535768      9.29186893    -15.80475855
  H     15.27909308     13.66920990    -10.59829978
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  H     16.20622968     10.65981811    -16.29375284
  H     12.69307485      9.76911110    -16.67015598
  O     18.56806056      8.99080114    -15.34831202
  H     13.96857780     12.24690748     -9.50832183
  H     13.12125972      9.34013254    -15.26436644
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  H     12.95285420     11.99411159     -8.36796210
  H     16.25271126      6.61754710    -13.17119345
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  H     13.70916453     12.99420164    -14.47024255
  H     15.28866686      5.40699113    -13.27394243
  O     15.48020170     12.92159449    -10.02155508
  H     14.57987402     12.22247906    -13.43992225
  H     11.48007887      9.89470076    -13.99255269
  O     12.41535995      9.79643964    -15.74722542
  H     14.75479153      7.81834643    -14.08480884
  H     10.91957831     11.03982585    -13.13698986
  O     15.31517398      6.35009800    -13.13981722
  H     14.75593502      9.36207025    -13.84569120
  H     17.71453532     11.46198280    -12.33655270
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  H     18.04807906      8.36308108     -9.84470464
  H     17.52451655     10.45113471    -11.15268400
  O     17.27950277     11.32612507    -11.48075946
  H     16.68913534      8.39198882    -10.58439326
  H     12.28253921      9.77746973    -11.66088964
  O     12.96892965      9.67819199    -10.98319776
  H     12.25783664     13.11856558    -10.54929215
  H     12.88582113     10.40537528    -10.35289487
          69
 Energy    -249.74460897675993     
  O     13.72566780      8.88084161    -10.99693737
  H     14.13596486      9.21880107    -10.19248144
  H     18.22580825      4.81729255    -12.79352277
  O     14.37663319     10.48722982    -16.75915359
  H     13.70530264      9.57532663    -11.67014351
  H     12.28594718      6.36489722    -12.16375140
  O     16.53735783     11.25205103    -12.82072498
  H     13.91070680     11.18612869    -16.28325166
  H     12.59209698      7.45136181    -11.12099109
  O     13.08042538      5.80570743    -13.89550774
  H     14.12659710      9.66058748    -16.32723459
  H     20.91127094      8.82370037    -13.52134872
  O     15.78588556      6.64683739     -8.24440475
  H     15.63989385     10.91562252    -12.94376126
  H     19.44747121      9.08457308    -13.94192417
  O     16.04143631     13.15353572    -14.83018337
  H     16.77438207     11.11522625    -11.89255056
  H     12.82785476     13.31184271    -15.09074497
  O     15.91213079      7.51730424    -12.08546306
  H     12.63482939      5.08299690    -14.33228143
  H     14.31102701     12.88631433    -14.95108284
  O     13.89415339     10.40332737    -13.27528461
  H     13.83606790      5.41583225    -13.42456570
  H     14.88636596      8.03998456    -15.09400737
  O     18.42247810      8.21206850    -11.11921956
  H     16.54558792      6.34787233     -8.77594361
  H     13.51017133      7.45427252    -14.72703559
  O     17.18867470     10.56395519    -10.24966335
  H     15.85876938      6.20284829     -7.40245196
  H     17.19909172     11.50843856    -17.78752126
  O     18.69657893      5.98701966    -14.00205812
  H     16.30781006     12.66266788    -14.03969170
  H     16.05551491     10.97972023    -16.89164478
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  H     16.45477016     12.69461331    -15.57136197
  H     13.26094375      5.54639427    -10.24071035
  O     12.15131818      6.59730207    -11.23852141
  H     15.16102564      7.99231986    -11.70960363
  H     14.50395360      5.60579077     -9.31271021
  O     20.02601074      8.47508528    -13.45297027
  H     15.67831589      6.57988062    -12.09559187
  H     16.05385748      4.47524532    -12.30480641
  O     13.39823308     12.55199369    -15.01779420
  H     13.87237249      9.64408029    -13.87592741
  H     14.77153448      4.77469889    -11.45541256
  O     13.93915607      8.24669704    -15.07055044
  H     13.58500038     11.16636909    -13.77814112
  H     18.24989029      6.67327450    -10.12238163
  O     16.96340280     11.33247530    -16.88058004
  H     19.03372260      8.29485540    -11.85957136
  H     17.90205639      5.21315949    -10.46061608
  O     14.00852175      5.02875706     -9.90244290
  H     17.55509916      7.97480563    -11.48595935
  H     16.35777397      7.69319065    -13.79276252
  O     15.16176844      4.83875197    -12.34364004
  H     17.74889732      9.80047485    -10.44926816
  H     17.14549242      8.54077905    -14.82441365
  O     17.89857062      5.85544563     -9.74219689
  H     16.52686435     10.24099142     -9.62853995
  H     15.38534084      8.40214765     -8.47651259
  O     16.61002446      7.74278796    -14.72948972
  H     19.31450449      6.70407599    -13.81883504
  H     14.85390134      9.67523505     -7.78065664
  O     15.15960378      9.33591078     -8.61869870
  H     17.94134357      6.42000905    -14.42141733
  H     17.89305695     10.50078833    -15.51314230
  O     18.16403575     10.07529231    -14.69018584
  H     18.36007293      3.38579108    -12.22415147
  H     17.65217315     10.49313255    -13.97940370
          69
 Energy    -249.74344636839402     
  O     12.12400091      9.61677405    -13.27652349
  H     12.13333553      8.88519519    -13.91308680
  H     15.97938247      7.37602339    -17.77571727
  O     14.76655001      6.72642652    -15.07856026
  H     12.41436439     10.39657209    -13.76558617
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  O     16.34093883     11.27592008    -10.65126785
  H     15.29579329      6.55867529    -15.86941602
  H     19.65824648      7.65305380    -16.31679860
  O     17.25190328     10.16610390    -16.87260230
  H     15.11514592      7.53046709    -14.66583405
  H     13.04102295     12.52091009    -15.06125969
  O     12.15909456      7.53274880    -15.11093477
  H     15.55516785     10.77504134    -10.90990090
  H     14.27345650     11.61419542    -14.85243116
  O     16.47203517      7.07528653     -9.80760618
  H     16.87952610     10.66599997    -10.13083430
  H     15.89941851      9.73793920    -14.20996737
  O     14.42119890      5.45909807    -12.65751618
  H     17.82318702      9.42495938    -16.63962612
  H     15.33817271      9.08081143    -12.92528749
  O     14.30626167      9.58687505    -11.53386806
  H     16.58412122      9.81057798    -17.47382524
  H     11.36688725      8.59036318    -11.93730676
  O     15.20275764      8.97917875    -18.42658948
  H     13.07779727      7.23863156    -15.21418612
  H     10.31443001      8.21580049    -10.87273547
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  H     11.74266487      6.85591524    -14.56081334
  H     18.91719818      9.51144845    -11.07834171
  O     16.03644958     11.45436912    -14.83303909
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  H     12.41845797      5.40923248    -12.91386755
  O     13.30173036     11.61903005    -14.89007374
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  H     17.26992841     11.83270134    -11.99273310
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  H     13.53321198      9.69337089    -12.10351965
  H     17.30672021      8.01282583    -13.55093958
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  H     14.95482344      9.10778770    -19.33841163
  H     18.69759082      8.21921616    -12.91831114
  O     11.52290735      5.70512075    -13.11739154
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  O     17.83212952     12.03487564    -12.76356643
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  H     18.35425686      9.26102081     -8.56976702
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  H     13.08702984     10.29220166    -16.27951932
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  H     13.93553337      6.49466149    -11.25284247
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  H     17.23146597      6.95218866    -16.98041059
  H     12.79308913      7.28908841    -10.57142864
          69
 Energy    -249.74334268634692     
  O     -4.15831787      0.95274242      0.89582580
  H     -3.25066652      1.16162307      0.61230264
  H      2.12178324     -1.05675756      2.56809447
  O     -1.70267295     -1.44762596      7.16903430
  H     -4.72591665      1.60554701      0.49399979
  H     -0.98095568     -1.33374152      0.54451674
  O      0.38079153      1.82270041      2.07544445
  H     -2.48303910     -0.96292928      6.87341057
  H     -1.10327370     -0.97569059      2.06046820
  O     -4.12244056     -0.15748611      3.46340777
  H     -0.99144266     -1.24995265      6.54394641
  H     -1.70720700     -3.22181902      1.86083238
  O      0.16085299     -1.27888311      5.06857875
  H     -0.27949268      1.35861201      2.62118347
  H     -1.70382644     -4.77734153      1.75900261
  O     -2.16931730     -4.09661464      6.84111724
  H      0.54020225      2.66374090      2.49859836
  H      0.80928874     -2.19323625      1.45481747
  O     -4.61226453     -3.16275711      5.63583113
  H     -4.24870778     -1.09754876      3.26136529
  H      1.87015647     -2.43831191      0.37354485
  O     -1.62649700      1.44855199      0.05626088
  H     -4.22722713      0.32536377      2.63386553
  H     -4.65946304     -3.05613169      3.83158667
  O      1.30709201     -4.88931955      2.62642911
  H      0.92263877     -0.98212743      4.54936389
  H     -3.68593407     -3.34433565      2.66238167
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  H     -1.53674282     -1.49522361     -1.54086864
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  H     -1.31786069      0.74954352     -0.53676000
  H      0.00161035     -1.29435897     -1.42964095
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  H     -3.41914247     -2.53175805     -0.96635306
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  H     -3.38436717     -3.01589370     -2.43162618
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  H      1.61650485     -4.07373359      2.20943996
  H     -4.77303031      0.26859492      6.62046314
  O     -0.85108278     -0.87227428     -1.26379385
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  H     -4.21081418     -0.17755868      5.25355047
  O     -2.82777778     -2.83311258     -1.67874242
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  H     -1.15833352     -3.97623908      3.79338924
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  H     -0.52268899     -6.96092983      1.06151270
  H     -4.59785460     -2.25249718      1.11315691
  O     -4.43497255     -1.84203746      0.25439445
  H      1.64974429      0.39671512      2.75423687
  H     -4.38111782     -0.89267959      0.41451461
          69
 Energy    -249.74331664574746     
  O     13.20536136     13.61426819    -10.74696506
  H     12.62804543     12.86955315    -10.53284657
  H     13.05433045     10.94468164    -14.99562201
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  H     13.93875188     13.59550862    -10.11711774
  H     12.30358495     14.46514648    -14.18817613
  O     14.92474834      8.82744573    -11.34543690
  H     14.06313233     12.36078983    -16.81032822
  H     12.63756867     13.85098895    -15.57490525
  O     15.67701377     15.77103224    -12.77738865
  H     13.99603623     13.51314193    -17.83676020
  H     18.31472278     13.04686169    -11.91812019
  O     14.25050167     10.62274641    -16.34797513
  H     15.04909565      7.97173348    -11.77262544
  H     19.73021070     12.42363877    -11.95053896
  O     15.16543012      6.51266819    -12.93315470
  H     15.61599624      9.41368215    -11.69083433
  H     10.91462140     11.10832913     -9.69536183
  O     15.98260490      7.49224113    -15.32859210
  H     15.85817499     15.31569286    -13.61155492
  H     11.86090200     10.62649707    -10.81849454
  O     14.64033098     12.39464113    -12.87283722
  H     14.71684092     15.83535963    -12.73577452
  H     13.03087705      7.75866705    -15.60682547
  O     12.32292332      9.52360050    -12.11521982
  H     13.91829184      9.73654050    -16.54075641
  H     12.89466201      7.44012383    -17.11396593
  O     16.71184232     10.19270471    -15.15251625
  H     15.12910553     10.51420303    -15.95326044
  H     13.48167174     10.76584000     -9.34973726
  O     18.24900452     12.46544519    -15.17339566
  H     15.53681529      5.64834761    -12.77856088
  H     14.66592446      9.90339828     -9.82021404
  O     12.52513128     11.22125098    -14.23633102
  H     15.54283856      6.83514744    -13.77149853
  H     15.17142369     12.18844651     -9.12319829
  O     12.00815471     13.82166389    -14.84379269
  H     16.38492413      8.37151403    -15.33743536
  H     15.63987381     13.34722095     -8.21275245
  O     18.86546075     12.36574471    -12.34694897
  H     15.17997703      7.56667956    -15.85810305
  H     17.50422258     11.10754241    -12.30851577
  O     11.76280405     11.27363227    -10.09885173
  H     14.24370119     12.86518061    -12.13172114
  H     15.97776600     11.30668964    -12.50495017
  O     13.38086723      7.97270699    -16.49023503
  H     13.91513357     11.96772577    -13.34747536
  H     12.85842706     14.90983043    -11.93192009
  O     14.42174670     10.60591907     -9.20390096
  H     12.34391313     10.10975975    -12.88864686
  H     12.21551802     16.24848248    -12.35621824
  O     15.41869944     13.13028209     -9.11503786
  H     13.23683737      9.30572590    -11.87704025
  H     13.40534638      6.93468421    -13.55572575
  O     16.66854288     10.63331196    -12.39577290
  H     16.65056639     10.20675806    -14.18791816
  H     12.32081625      7.99989743    -13.32110334
  O     12.78479810     15.54607776    -12.66277669
  H     17.32503463     10.91072839    -15.36442369
  H     16.70070137     14.76078093    -11.65069064
  O     12.62278108      7.33760223    -13.95347074
  H     18.59696236     12.46298647    -14.27331287
  H     16.63567467     13.79073097    -10.44022280
  O     17.21105852     14.11506172    -11.14101241
  H     17.50260523     13.08086647    -15.15292543
  H     15.27563274     13.84603314    -15.63917120
  O     15.86676641     13.93821251    -14.88340167
  H     12.17566206     12.10489134    -14.42994500
  H     15.47461987     13.41773687    -14.16609835
          69
 Energy    -249.74298368955880     
  O     12.21800272      5.49363832    -14.78303140
  H     12.68932796      6.31413738    -14.97906640
  H     14.87149738     11.64775993    -13.86883866
  O     17.20807250      5.88856420    -12.76952687
  H     12.82215293      4.77669293    -15.01189196
  H     16.67190537      8.42319891    -11.07090193
  O     15.68244313     10.12342839     -8.38121699
  H     16.75677433      5.75054940    -13.61582607
  H     16.54768255      7.55530609    -12.34009716
  O     14.22255733      3.43555079    -15.00034239
  H     18.07593949      6.26565935    -12.96145975
  H     11.69310423      5.21043172    -13.14323399
  O     14.31699649      7.78324258     -8.46936114
  H     15.10108333      9.34243274     -8.40791770
  H     10.58569844      4.77613184    -12.15250886
  O     15.47138485      5.08041411    -10.79727948
  H     15.60502935     10.49422258     -7.50574991
  H     17.41549104      7.58305707     -9.12211128
  O     13.65738551      8.88885674    -12.55165396
  H     14.13505096      3.31741940    -14.03733077
  H     17.10761401      9.09894034     -9.05316067
  O     19.43474586      7.39278668    -13.57498832
  H     14.19761110      2.56556572    -15.38894303
  H     14.46495273      3.75541726    -11.73059297
  O     16.58286969      6.00589644     -8.48183193
  H     13.81433512      7.45856229     -9.22786281
  H     12.99270436      3.75333326    -12.18165676
  O     15.58721166      9.60517784    -16.33474690
  H     15.01970754      7.13819979     -8.32326803
  H     18.36747402     10.57634027    -12.14997923
  O     15.83533163      5.71481017    -15.14391500
  H     16.12159013      5.31373337    -11.47693365
  H     16.99285289      9.98824546    -12.43194873
  O     15.64093313     11.50348319    -14.43135175
  H     14.73033188      5.70133996    -10.86431927
  H     19.08316488      9.00970198    -10.70568842
  O     16.24936912      8.38012386    -11.93944018
  H     13.48078443      9.83646979    -12.52506704
  H     19.58250858      8.68198684    -12.12783140
  O     11.51460018      4.98145087    -12.21308796
  H     14.59242021      8.76731924    -12.31632716
  H     16.31425659     11.58306060    -11.19762378
  O     17.63776256      8.43626241     -9.51615295
  H     18.86855935      7.64084615    -14.32796334
  H     15.56993644     11.25820948     -9.87677410
  O     13.83915492      3.30756776    -12.31331286
  H     20.27920644      7.14352443    -13.94299531
  H     14.39684239      8.37870091    -15.58929537
  O     17.48559796     10.82217003    -12.45684188
  H     16.87837547      5.31357173     -7.89651610
  H     13.75994698      8.14373721    -14.19628575
  O     19.60533404      9.35861225    -11.43943964
  H     16.22610379      5.56993959     -9.27481923
  H     13.26852713      7.52518647    -11.44358843
  O     15.52868204     11.79651516    -10.67576717
  H     15.60667118     10.32073906    -15.67381193
  H     12.54499778      6.16851323    -11.23056941
  O     13.91635653      7.73139636    -15.05783594
  H     15.54334144     10.02346228    -17.19047421
  H     12.89762258     12.38371224    -12.35564744
  O     13.21556166      6.75499025    -10.85958626
  H     15.37269699      4.86987202    -15.19681547
  H     14.20309268     11.78595692    -11.77427043
  O     13.53508387     11.68611041    -12.47806860
  H     15.15358788      6.40160973    -15.09495514
  H     17.15667495      6.99036084    -15.63057936
  O     17.69311589      7.79418179    -15.62848657
  H     16.39486863     11.40831941    -13.83250420
  H     17.08865092      8.50095670    -15.88242746
          69
 Energy    -249.74250397402710     
  O     -3.73353099     -0.32555241      3.10111008
  H     -3.41713330      0.42963778      3.61286464
  H     -7.16479400      2.35137890      1.27471577
  O      0.56928939      2.83883038      3.06340124
  H     -2.95335496     -0.77403483      2.74420980
  H      2.38401253      1.11661416      1.11305016
  O     -1.64279557     -1.61525122      1.77884270
  H     -0.22897939      3.33402225      2.83645802
  H      1.18510832      1.67627145      1.91511967
  O     -4.87436164      1.08859556     -2.61465122
  H      0.37030555      2.38084358      3.88924456
  H     -5.12066580      3.77234458      3.36564496
  O     -3.27090438     -0.73036230     -1.19827578
  H     -1.37365409     -0.94797522      1.13029764
  H     -4.55878031      2.58766906      4.16993636
  O     -4.40908252      0.98862123      0.75258052
  H     -2.16682406     -2.26948438      1.30159132
  H     -2.70969449      4.46109504      2.46137405
  O     -7.58058912      1.65162959      2.92707707
  H     -4.30216276      0.38204206     -2.28602879
  H     -2.01667871      3.47072446      1.50285804
  O     -7.45051100      0.65095853     -1.42771658
  H     -5.76617088      0.86969128     -2.31953082
  H     -4.61214200      6.16675988      2.62663900
  O     -2.76630606      1.97146853      4.32014256
  H     -3.38357981     -1.61224481     -0.81974221
  H     -4.67190534      5.13845150      1.47364691
  O     -3.76417436      3.55157250     -2.28078947
  H     -2.36640772     -0.45376085     -1.00145994
  H     -6.20258668     -1.83429684      1.67688563
  O     -2.36567273      2.62703593     -0.03795134
  H     -4.16787082      0.35128180      0.06806143
  H     -4.93447632     -1.66894138      2.54060282
  O     -6.69157443      2.48443640      0.44389988
  H     -4.27046530      0.55762868      1.60611528
  H      0.14781862      0.95811290      6.08800883
  O      1.47771248      0.93853590      1.34961785
  H     -8.26773151      1.72828379      3.58359385
  H     -0.00909073      0.39649189      4.65500982
  O     -5.37801224      2.96520264      3.82732473
  H     -6.78710386      2.06892187      3.30835407
  H      0.93473997     -0.29356614      2.74092218
  O     -1.96397809      3.85258421      2.39140002
  H     -8.29718146      0.81020689     -1.83898811
  H     -0.26163559     -1.22864627      2.96958372
  O     -4.39233935      5.26753000      2.39745163
  H     -7.28293706      1.40269125     -0.83335657
  H     -7.57194322      0.03290707      1.79459129
  O     -5.39419589     -2.28625126      1.95716904
  H     -2.47966156      2.60092946      3.64294561
  H     -7.53104553     -0.37444346      0.30577112
  O     -0.24594975      1.13932236      5.23900522
  H     -1.96521442      1.68612328      4.77660980
  H     -4.24074990     -2.88763755      0.85353012
  O      0.44934024     -0.76339565      3.43024346
  H     -3.53657161      3.90672263     -3.13576049
  H     -3.59794675     -4.04717152      0.05056179
  O     -7.55691329     -0.72793519      1.20128167
  H     -4.18910286      2.68978700     -2.44126601
  H      0.02053711      0.47520437      0.28022094
  O     -3.50361568     -3.12220987      0.25822648
  H     -2.68802426      3.03605402     -0.84959311
  H     -1.30461381      1.16752168     -0.10180527
  O     -0.85353650      0.31048692     -0.09598322
  H     -3.11203476      2.11834939      0.31800137
  H     -5.87180735      4.05599077      0.03310715
  O     -5.23873073      4.77009852     -0.13087391
  H     -5.86316924      1.98346125      0.53527034
  H     -4.73370632      4.49103346     -0.90257239
          69
 Energy    -249.74208847961341     
  O     19.40074224     10.59414996     -8.69730821
  H     19.74186715     11.32924123     -8.19427315
  H     19.76937875      7.44099032     -7.34376742
  O     17.43314522      5.31300283     -9.58234346
  H     19.93598786     10.53901941     -9.50902190
  H     17.78628919     10.32552492     -9.49771254
  O     17.66952154      5.10779327    -13.14407716
  H     16.72439691      5.07006179    -10.18940707
  H     16.38196335      9.62339077     -9.43234097
  O     17.93610577      7.89813665    -13.43718402
  H     17.84897942      6.10343805     -9.96144912
  H     20.66274210     10.04274556    -11.88299068
  O     21.50150914      6.77451050    -12.70538513
  H     16.84927812      4.97037392    -12.65498644
  H     21.18407357      9.37736101    -10.60789856
  O     15.37885235      5.00569653    -11.44074263
  H     17.68897025      6.04016395    -13.39756056
  H     16.43506825      9.98501118    -11.68309836
  O     20.46057360      9.08325321    -13.65055461
  H     18.76822207      8.35535417    -13.62222490
  H     15.72090943     10.62979050    -12.89648942
  O     21.07597261      6.09231965     -7.79097169
  H     17.26532689      8.57435513    -13.27953386
  H     20.35767593      3.49223274    -12.89903045
  O     14.10931251      5.51012656     -7.28385875
  H     21.59257231      7.01573162    -11.77271720
  H     19.24832687      4.54096456    -12.67029824
  O     21.21164512      7.64921524    -10.08553907
  H     21.08946349      5.90224080    -12.70434082
  H     12.90549335      7.06409725    -10.74835627
  O     18.48076194      7.60976474    -10.69616084
  H     14.70971857      4.57620494    -10.89311853
  H     12.47819603      5.75341362    -10.06824904
  O     19.05347023      8.06597184     -7.17290464
  H     15.13748766      5.94341643    -11.46871174
  H     14.26735348      8.51348234     -8.29212474
  O     17.05105617      9.99279489    -10.02789360
  H     20.96018389      9.40837660    -14.39503902
  H     15.69927550      7.92665587     -8.16210506
  O     20.86512831     10.22361780    -10.95968023
  H     20.88281609      8.24695946    -13.37824496
  H     14.98521686      8.37420028    -11.83731366
  O     16.04838659      9.80077346    -12.55744987
  H     20.72315592      5.40008005     -8.37987268
  H     14.83971645      7.94724340    -10.35795072
  O     20.15435188      4.28978738    -12.41661543
  H     21.62973865      5.65248954     -7.15207371
  H     17.47253962      7.18830818     -7.12352934
  O     12.20879167      6.67055597    -10.20608458
  H     13.54722684      6.29413853     -7.28160195
  H     16.92647178      6.09343565     -8.06740125
  O     15.16294087      8.57362262     -8.64492384
  H     15.00828381      5.83004923     -7.13081673
  H     11.77216160      8.26271587     -7.42889147
  O     14.62690814      7.68701705    -11.26608912
  H     21.35498659      7.15384141     -9.27197627
  H     12.32322963      7.49567143     -8.65634330
  O     16.67660577      6.68105076     -7.33782244
  H     20.26018264      7.59644206    -10.27106208
  H     19.06479693      4.49551022     -9.46967515
  O     12.56912701      7.89981466     -7.80475948
  H     18.02930774      8.40294303    -10.38495655
  H     20.18804505      4.27126567    -10.48827090
  O     20.01380869      4.31858696     -9.54116379
  H     18.34860114      7.58099581    -11.65259269
  H     13.08236786      3.31201375     -9.33857009
  O     13.44716655      4.16424041     -9.56177377
  H     19.25983986      8.86746894     -7.66430790
  H     13.72593025      4.57635238     -8.72445644
          69
 Energy    -249.74186030729703     
  O     10.92317369     10.70542033    -11.32755664
  H     10.37701165     10.39090995    -12.05957077
  H     15.23935392      7.19553609    -17.13066244
  O     13.38610001      7.57609942    -14.84833208
  H     11.72490941     11.06323971    -11.72862574
  H     15.99694662     12.05087337    -14.39511818
  O     17.38142722      8.81263064    -10.46370977
  H     13.74573187      7.05892288    -15.58200586
  H     15.45470450     13.48745447    -14.58324215
  O     18.09753159      9.49328160    -16.60185885
  H     14.13624177      8.07762012    -14.49319248
  H     15.38359249      8.99474870    -12.86807053
  O     11.94391656      9.88481439    -14.83914147
  H     16.53990418      9.23989091    -10.69693103
  H     16.18349506      9.45486779    -14.10727382
  O     15.95104545      6.32870796    -10.32637725
  H     17.69685155      9.24747995     -9.67401647
  H     10.41188225      8.76838572     -8.86117750
  O     12.86973308      6.07776286    -12.60285206
  H     17.29216511      9.20385455    -17.04966609
  H     10.93436584      9.39637911    -10.17690895
  O     14.89551754      9.68215977    -11.25578293
  H     18.45572230      8.73247621    -16.12869513
  H     18.27366857      6.88187947    -14.66855628
  O     15.57162469      8.93668180    -17.77091032
  H     12.35237186      9.00662378    -14.89344278
  H     19.77762583      6.79985837    -15.01558883
  O     15.35569608      4.67300765    -12.38016811
  H     11.05382535      9.75426047    -14.49218376
  H     11.07149138      6.63420217    -12.27065751
  O     17.31067342     10.92271927    -14.43219525
  H     16.56947252      7.06762299    -10.35883424
  H     10.41878978      7.49816087    -11.16976821
  O     14.98873232      6.36419361    -16.70475398
  H     15.08789288      6.71475134    -10.12199987
  H     19.06969450      8.73225938    -13.38852016
  O     15.18361795     12.58530552    -14.43496286
  H     12.98305277      6.58068165    -13.42349599
  H     18.48013791      9.13422704    -12.01054417
  O     15.63243453      8.74089785    -13.76561798
  H     13.61011899      5.46149190    -12.56299599
  H     16.30567390      7.11299498    -14.10320508
  O     10.92312723      8.58096939     -9.64333767
  H     14.33049884      8.98916629    -10.88388398
  H     16.25788301      5.60954739    -13.73297420
  O     19.07096149      7.41341177    -14.82979414
  H     14.32489250     10.31512883    -11.71220480
  H     13.25160599     10.54674125    -16.02435234
  O     10.28118967      7.14614631    -12.05808783
  H     15.44701725      9.10729486    -18.70180503
  H     14.46324601     11.47718022    -15.85988035
  O     18.94464329      9.47460424    -12.78430924
  H     15.03473093      9.59647790    -17.29819763
  H     12.59148427      7.87486060     -9.93665432
  O     16.65279638      6.24002364    -14.34625032
  H     15.48934238      3.76154664    -12.13339531
  H     13.19450993      7.05427329    -11.11032641
  O     14.08698554     10.80281647    -16.43618662
  H     15.63643808      5.21554507    -11.62055914
  H     13.89876000     11.86453005    -13.28245525
  O     13.42084662      7.55613829    -10.31294306
  H     17.92569758     10.58215414    -13.76655964
  H     12.81514730     10.79001327    -13.50676807
  O     13.27102985     11.29662576    -12.81830055
  H     17.61164725     10.57320083    -15.28493361
  H      8.64038066      9.31187899    -13.71482865
  O      9.55805597      9.36114461    -13.46140751
  H     15.65039474      6.20045135    -16.02074788
  H      9.77565525      8.51801665    -13.02477144
          69
 Energy    -249.74183331874525     
  O     13.66624907      3.23585984    -15.87052205
  H     14.50335420      2.90820372    -16.24894714
  H     21.20720816      3.51246403    -15.35061032
  O     18.06192398      5.92380208    -11.85918211
  H     12.99394735      2.59534806    -16.08587404
  H     17.85999209      6.88236062    -16.62919576
  O     19.60786683      4.93678040    -17.67299802
  H     17.64213588      5.07128132    -12.04103479
  H     18.89710964      7.98227227    -16.31048348
  O     17.39347225      3.76036909    -19.03967539
  H     17.62680151      6.57465665    -12.42783353
  H     15.84872387      5.80396610    -16.14343357
  O     14.06271908      6.89667457    -10.21338479
  H     19.35407967      5.86356945    -17.57257548
  H     17.01825653      4.99235598    -15.47200496
  O     14.25667795      4.29353607    -13.31588774
  H     18.88684008      4.50676754    -18.14961501
  H     13.27478703      7.49567375    -14.46521408
  O     16.88327265      7.69822496    -13.68260559
  H     16.78530727      4.51270974    -19.16134870
  H     12.55922867      8.50333039    -15.38110846
  O     17.74126863      3.38776736    -14.86601519
  H     17.49757521      3.35401443    -19.89620199
  H     14.95339039      3.38790381     -9.92917564
  O     13.49607160      4.10329656    -10.61001522
  H     14.95090612      6.61256822     -9.93091519
  H     15.74453585      2.40931829     -9.02668732
  O     19.38343556      8.68372849    -14.62614442
  H     13.73823008      7.49190784     -9.54303182
  H     13.67575317      6.45239460    -16.44037323
  O     16.05619446      2.50624504    -16.86276967
  H     14.23424234      5.25936527    -13.34589985
  H     13.87939913      4.91807428    -16.62740361
  O     20.42902342      4.05650672    -15.26496398
  H     13.99829265      3.95110292    -14.17954650
  H     19.63233194      6.11821834    -12.88533201
  O     18.52755192      7.46021452    -17.03175930
  H     17.63795463      8.24311069    -13.93169177
  H     20.37043001      5.57023663    -14.13266240
  O     16.70173080      5.87597111    -15.69557336
  H     16.78720611      7.04186132    -14.39307253
  H     16.54462243      3.22611634    -11.40864823
  O     12.85118443      7.59631697    -15.33209574
  H     17.49259328      3.30885568    -13.93541746
  H     15.85231309      3.76572522    -12.68497167
  O     15.84883779      3.11747162     -9.65593892
  H     18.69448102      3.52919587    -14.91763337
  H     17.15142732      6.02700571    -10.21921730
  O     14.20062194      5.78500631    -16.90476219
  H     13.51341611      5.04578211    -10.40254233
  H     16.38186701      4.96544913     -9.41058464
  O     20.26038742      6.35391595    -13.58121835
  H     13.59763531      4.05188394    -11.57049234
  H     15.08268078      5.87863683    -18.53904222
  O     16.71177886      3.51042216    -12.31463233
  H     19.96840640      9.39895050    -14.39283502
  H     16.10856332      6.71496432    -19.34979437
  O     16.49517543      5.91784922     -9.51784847
  H     19.77402425      7.86926483    -14.25762369
  H     15.16686932      7.42951934    -13.18392542
  O     15.70752399      5.83826309    -19.27449940
  H     16.68888615      2.65885181    -16.14626082
  H     14.14755929      7.11060196    -12.04765401
  O     14.27302853      7.10348929    -13.00494459
  H     16.47117274      2.86770715    -17.65506169
  H     17.64419863      8.07211567    -18.49395093
  O     17.08224156      8.26608111    -19.26097573
  H     20.19510084      4.35889243    -16.16215072
  H     17.62102522      8.78007387    -19.85734224
          69
 Energy    -249.74171009834745     
  O     15.38118700     12.23958467     -9.39264166
  H     16.29446790     12.28593307     -9.08087019
  H     12.93440540     14.67242194    -13.72681666
  O     14.11342313     13.35159847    -16.38860258
  H     15.11319801     11.31397372     -9.33526777
  H     12.78634842     13.98769591    -11.48719220
  O     17.47530965      9.10256157    -12.51734967
  H     13.98673801     12.40545786    -16.25229126
  H     11.32337181     13.86973823    -11.97075579
  O     16.20423283     16.07844607    -10.63588164
  H     15.03316326     13.45356532    -16.66254660
  H     20.74016341     14.05961873    -12.87002344
  O     14.20805967     10.62309544    -15.57232864
  H     17.82729025      9.97784224    -12.73754927
  H     19.37958653     14.11408213    -12.13598290
  O     17.01314540      8.19030579    -15.08138001
  H     17.43516566      8.61771920    -13.35374642
  H     14.29084245      8.86666205     -8.87787276
  O     15.89280353     12.59653220    -12.15736357
  H     16.10174056     15.89558790    -11.58750986
  H     14.71222048      9.21542863    -10.32385191
  O     14.71222603      9.03014814    -12.10894959
  H     16.26052185     17.02648309    -10.54441096
  H     17.33169819     13.97992852    -16.31998253
  O     16.96316061     10.97549995    -15.73198101
  H     15.16919528     10.74316435    -15.62457144
  H     17.24539030     13.81256144    -17.85533423
  O     17.98198835     14.85319339    -14.97180414
  H     14.06260069      9.68070600    -15.43185544
  H     14.27977814      8.18215922    -13.70250894
  O     13.58344460     11.36955810    -12.99564758
  H     17.07409347      9.07026282    -15.47792759
  H     13.58843791      7.15869939    -14.62974490
  O     13.46711811     15.14609468    -14.37477335
  H     16.07546192      7.96661579    -15.08355821
  H     16.79211948      9.43202441     -9.50464375
  O     12.22366338     13.67393454    -12.21741100
  H     15.10263923     12.19158933    -12.53937163
  H     17.76159379      9.32894368    -10.69218384
  O     19.80877113     13.89026966    -12.98154310
  H     15.78545137     12.54146900    -11.20059284
  H     18.41701627     13.63057816    -10.03824718
  O     14.84812056      9.44697043     -9.39014447
  H     15.66764409      9.10817530    -12.25699292
  H     17.76914904     14.95303118    -10.52823829
  O     16.92661878     13.45269237    -17.03206602
  H     14.28839802      9.86273882    -12.37097670
  H     17.38110373     12.01423782    -12.87066738
  O     14.15542109      7.92603231    -14.63020992
  H     17.42936099     11.21241438    -14.91810325
  H     18.85477531     12.31088651    -13.24510195
  O     17.70265392      9.60880633     -9.76869009
  H     17.00694189     11.75497292    -16.30064420
  H     14.56361343     15.09769350    -10.26746657
  O     18.53702590     14.37962041    -10.63449925
  H     17.25017029     15.09867739    -14.38806814
  H     14.27162899     13.68231008     -9.75808878
  O     18.16766228     11.63808628    -13.29721540
  H     18.69501515     14.57586687    -14.38611610
  H     18.65094119     12.09962442     -8.09412754
  O     13.85390658     14.45302082    -10.16632362
  H     13.00127459     12.11714800    -12.81050072
  H     18.09387466     11.23376972     -9.24672291
  O     18.14416076     12.14298340     -8.90130357
  H     13.66951076     11.24890619    -13.95221000
  H     15.91931082     14.28908239    -12.83904546
  O     15.88997765     15.19862177    -13.16937512
  H     13.60654696     14.54316373    -15.12141127
  H     15.04330577     15.30217246    -13.62995103
          69
 Energy    -249.74166524228812     
  O     -6.07231860      1.30426249      0.28684853
  H     -5.54528236      2.05131327     -0.03239229
  H      1.01959358      3.50986742      3.34816745
  O     -4.65990284      0.99672776     -3.51055005
  H     -6.54459171      0.95962890     -0.48057064
  H     -0.74085427      4.46024186     -0.13462575
  O     -5.78019241      1.66511874      3.07592407
  H     -4.20720832      0.14510428     -3.56438801
  H     -0.24997223      4.46239852      1.32049325
  O     -0.19999412     -1.22233599      2.42539892
  H     -5.50440670      0.82184295     -3.08059187
  H     -4.05081687      3.37190092     -1.44167772
  O     -2.00365613     -0.95702804      0.30415105
  H     -6.00949460      1.63458464      2.13758507
  H     -3.66110648      2.74227558     -0.08711338
  O     -3.37858709     -1.52127783     -3.46994368
  H     -5.33595852      2.50632983      3.23346646
  H      1.89040483      1.07204480     -2.06216093
  O     -4.66971426     -1.04880271      0.97172863
  H      0.23638211     -1.96897970      2.82620470
  H      1.06590777      0.98126174     -0.75711033
  O     -1.08156749     -0.82197993     -2.27216554
  H     -0.84410152     -0.88766943      3.07601125
  H     -1.58136835      3.12078595     -2.11713826
  O     -3.16934115      3.20372177     -3.11330847
  H     -2.92123078     -1.09055526      0.58025601
  H     -0.21739538      2.46963859     -1.69910391
  O      1.08332169      0.90788095      0.97879193
  H     -1.41875093     -1.17277050      1.04085034
  H     -4.69909929     -1.94741999     -2.15763925
  O     -2.08254074     -0.20770980      4.04784280
  H     -2.51737315     -1.27244313     -3.08858297
  H     -5.15303731     -1.86864135     -0.67395870
  O      0.52149007      3.19315836      2.59849501
  H     -3.19536445     -2.11383770     -4.19406991
  H     -2.17198324      2.23518418      2.27579400
  O     -0.78277141      4.96090407      0.69120382
  H     -4.74906579     -1.11763039      1.93068485
  H     -2.77571387      3.01872177      3.47377649
  O     -4.34108158      3.27851224     -0.52730312
  H     -5.09687845     -0.21569815      0.72457086
  H     -5.20211061      0.12558134      3.59416519
  O      0.99829337      1.06791062     -1.72581794
  H     -1.38290839     -0.93879804     -1.35783264
  H     -5.45052784     -1.17356227      4.39818440
  O     -0.87989978      3.12754281     -1.45295433
  H     -0.34188369     -0.20863931     -2.22328425
  H     -1.70291912      2.25398123     -0.06447700
  O     -5.46665914     -2.01763134     -1.57547471
  H     -3.32395909      3.79337181     -3.84670855
  H     -2.17646901      0.85583890      0.43392546
  O     -2.04100271      2.45085258      3.21377615
  H     -3.67780423      2.39251398     -3.29437362
  H     -2.54346420      5.23643278      1.13824651
  O     -4.85669614     -0.76937722      3.77143525
  H      0.70872689      0.17804086      1.48577977
  H     -3.89815761      4.71101163      0.61484883
  O     -2.29068308      1.80568771      0.55928756
  H      0.95659524      1.70254928      1.51180387
  H     -7.87626994     -0.09089724     -2.44804339
  O     -3.49400878      5.22876031      1.32248440
  H     -3.01099201     -0.46701246      4.01849114
  H     -6.54772350     -0.69850623     -1.93462515
  O     -7.02187460      0.13837970     -2.09305694
  H     -2.06602806      0.74390045      3.87385658
  H     -4.04155075      4.54639664      2.79098921
  O     -4.29887994      4.05981316      3.59632796
  H     -0.36259280      2.95929517      2.92915171
  H     -4.57841016      4.71140348      4.23318115
          69
 Energy    -249.74097019306149     
  O     11.73045427      3.57630639    -11.64845421
  H     11.41229525      4.22836412    -12.28417230
  H     18.37824070      6.74390336    -16.83251715
  O     18.02190807      4.68096276    -11.13170281
  H     11.60961821      3.95016266    -10.76773276
  H     17.42681488      5.91191440    -14.59488568
  O     14.82995545      8.89915487    -11.82494891
  H     17.38259543      3.99410959    -10.89377635
  H     16.38251430      5.22360959    -13.66945504
  O     14.87344735      9.96459778    -15.74083662
  H     17.87776922      4.88553219    -12.06326503
  H     13.17404360      6.48433320    -11.03967647
  O     18.25334134      6.98552342     -9.78840346
  H     14.62733041      9.10368912    -10.90376058
  H     14.45520828      7.10447936    -11.60248651
  O     14.44755161      4.82685975     -9.06861347
  H     15.77734397      8.72098659    -11.91630920
  H     13.12490656      2.60217762    -12.03633197
  O     16.00889750      2.90764529    -10.42082313
  H     14.55899174     10.79000209    -16.10104647
  H     13.70239358      1.26299494    -12.55481546
  O     13.13053119      8.80595934    -13.96013185
  H     14.19359214      9.65428950    -15.11994760
  H     14.64437011      8.41997159     -8.82134357
  O     14.87810382      7.29889687    -16.84953175
  H     19.10714378      7.02674971     -9.36618697
  H     13.97282849      9.78378854     -8.51857005
  O     11.58099954      4.77826985     -9.04696952
  H     18.19528197      6.11036377    -10.21724291
  H     12.49634486      7.98560370     -9.62116184
  O     17.49000795      9.14571619    -14.90156742
  H     14.45141496      5.27829470     -9.92718070
  H     11.43224466      7.67065614    -10.73391040
  O     17.63507231      6.78713549    -16.23674075
  H     13.51783972      4.66692574     -8.87181257
  H     17.77362670      7.83124932    -11.39814233
  O     17.24492777      5.66296446    -13.68114669
  H     15.50188421      3.45056774     -9.80273018
  H     17.32681548      7.22583414    -12.74925335
  O     14.02704919      6.25705726    -11.42923569
  H     15.36171091      2.54990493    -11.03867481
  H     15.38833198      6.33073661     -8.45556623
  O     13.94597657      2.14840364    -12.29930457
  H     13.15984755      7.89154754    -14.27602046
  H     16.65002900      7.14703955     -8.82805394
  O     13.99001986      9.06655644     -9.14617555
  H     13.72202783      8.87390173    -13.19356612
  H     11.54501693      8.45022660    -12.93219248
  O     11.86332039      7.32866006     -9.93470981
  H     14.88271185      8.24130103    -16.64221680
  H     10.74811349      7.14275492    -12.80030341
  O     17.38890876      8.05700045    -12.25374140
  H     15.79205328      7.00861767    -16.73991296
  H     14.46524977      5.11724128    -12.69495156
  O     15.78382984      7.21105733     -8.40690806
  H     11.58945899      5.72323352     -9.28067252
  H     14.54384019      3.65276250    -13.19514822
  O     10.89551815      7.99893060    -12.37857991
  H     10.90961879      4.66518273     -8.37916132
  H     11.65325559      5.69092171    -14.22514301
  O     14.72622134      4.56450070    -13.44968969
  H     16.62432323      9.52464159    -15.10079816
  H     10.20134975      5.17056413    -14.28039661
  O     10.88553869      5.45376691    -13.67757737
  H     17.51263047      8.96460239    -13.95372792
  H     13.68388784      6.50630954    -15.77585990
  O     13.16805586      6.18069411    -15.02399697
  H     17.66491419      7.66350777    -15.81070291
  H     13.73639244      5.55817457    -14.54729057
          69
 Energy    -249.74092629603075     
  O     13.15512993      8.22287835    -15.14146226
  H     14.05618040      8.19107383    -14.79554683
  H     11.61523656      5.70310765     -8.97894996
  O     10.51067518      8.61667129     -9.78645935
  H     12.67782919      8.88971362    -14.63361669
  H     12.96997170      5.27537337    -13.28090890
  O     16.42004570      4.61643687    -11.04015550
  H     10.29945841      8.31124535    -10.68501463
  H     12.70478157      5.00962437    -14.78441801
  O     14.41344656      6.00215635     -7.69883297
  H      9.70072790      8.96411157     -9.41982236
  H     12.30992125      5.72679856    -11.24404540
  O     18.43621745      8.28838802    -13.49094058
  H     17.36773567      4.45521769    -11.12633413
  H     11.77539027      6.88757743    -12.12901053
  O     12.56234929     10.16596225    -11.09654231
  H     16.32848876      5.45503221    -10.56385276
  H     11.95516853     10.16142433    -12.72781275
  O     15.79663532      5.10635991    -13.69889396
  H     13.49821216      6.24320703     -7.92948274
  H     11.28238019     10.87049774    -13.92831022
  O     10.94097530      3.29141861    -12.81957298
  H     14.45344738      5.96474482     -6.74682662
  H     19.94400911      4.04015247    -11.53010569
  O     18.64791885      7.38015768    -10.93696719
  H     18.51650590      8.03801227    -12.55273139
  H     19.05549508      4.85533609    -12.50119339
  O     14.22857419      3.74272476     -9.49815748
  H     19.06728537      8.98640980    -13.64329405
  H     13.83818526      7.54768998    -11.55680092
  O     11.67934229      4.33918775    -10.25191043
  H     11.93644913      9.73975684    -10.49926744
  H     14.99103599      8.24185653    -12.31276532
  O     11.85702548      6.47763855     -8.45238127
  H     13.34010395      9.59036148    -11.13058560
  H     15.63729771      6.74122775     -8.88779238
  O     13.07512693      4.61356304    -13.98432787
  H     15.95493476      4.90604756    -12.76431017
  H     15.59848738      7.53446492    -10.22384936
  O     12.56528155      6.37565956    -11.91359968
  H     14.91162534      4.78480272    -13.90769405
  H     17.62308600      5.25042972    -14.13081506
  O     11.56782692     10.01817789    -13.61026520
  H     11.75012722      3.60401221    -13.25753115
  H     18.60915144      6.42986905    -14.03851889
  O     19.19009846      4.62194992    -11.56490312
  H     10.81202403      2.38720218    -13.09636792
  H      9.91483750      7.14105865    -12.99271411
  O     14.52530628      8.22623672    -11.46658339
  H     17.86333226      7.35476129    -10.37298612
  H     10.55366667      8.57801670    -12.94984857
  O     16.17532030      7.02024184     -9.63883805
  H     18.94736594      6.46618118    -11.01649388
  H     16.62376087      8.15604338    -13.89475915
  O     18.56463338      5.46644243    -14.07666847
  H     14.34381546      4.39395166     -8.79490656
  H     15.70528465      6.91230730    -13.90302413
  O     10.21904824      7.85160861    -12.40834619
  H     14.98537839      3.86446728    -10.08564819
  H     11.77572329      6.06127972    -16.94876161
  O     15.70115360      7.87984639    -13.95814888
  H     12.55077776      3.97471737    -10.02154251
  H     12.28752309      6.86987241    -15.73161040
  O     11.80670403      6.06337736    -15.99631517
  H     11.33742858      3.85508193    -11.01091612
  H     10.36392915      5.80962849    -14.76671614
  O      9.75752604      5.70189014    -14.02217568
  H     11.41965541      7.23291425     -8.86128082
  H      9.99504640      4.86810440    -13.60083596
          69
 Energy    -249.74084832778468     
  O     10.31237512     13.76980596    -10.44334673
  H     11.19375027     14.16591017    -10.37022096
  H     13.40424279     13.33632378    -13.01022872
  O     11.61571462      7.00679754    -14.27949848
  H     10.24701408     13.37877354    -11.32306986
  H     15.60745950      8.27990187    -12.05231626
  O     10.27532216     10.00270120    -10.87871252
  H     11.26654124      6.16139368    -14.54831925
  H     16.37647435      8.81818883    -10.80803766
  O     13.94767509      7.89940425    -12.98793527
  H     10.88826222      7.48267164    -13.84004515
  H     13.07911789      8.28403191    -11.42701702
  O     14.55034279     13.66617576     -8.07126390
  H     11.09698970      9.50745556    -10.74413044
  H     13.16362627      9.60993709    -10.65932630
  O     12.01883740      9.44035391    -15.76436083
  H     10.08705281     10.47969563    -10.06284134
  H     14.80605911     15.52145275    -13.03423047
  O     13.86957628      9.00529500     -8.10935769
  H     14.04981664      8.74599709    -13.44832244
  H     15.29240974     14.20958964    -12.36979303
  O     13.73361305     11.28100809    -10.67225361
  H     13.22510789      7.44133394    -13.43521846
  H     17.75258193     10.48717761    -14.00545835
  O     12.63763861     11.55911622     -8.10851095
  H     15.03495515     14.16698629     -7.41994249
  H     16.81965053     10.01490484    -12.86578031
  O     16.58409023     13.10292847    -12.02554917
  H     15.19225291     13.08376984     -8.51060213
  H     10.04895544     11.74410466    -13.58147770
  O      9.91448933     11.80934288     -8.67067821
  H     12.85454202      9.78242775    -15.41972895
  H     10.33192391     11.37470464    -12.10432281
  O     13.04383335     12.44541014    -13.09183483
  H     11.93059737      8.54906496    -15.40497909
  H     15.30776801     11.66671956    -10.02159881
  O     16.40573131      8.74248903    -11.76840449
  H     13.41610475      8.66834506     -8.89442639
  H     16.45002537     11.03741647     -9.21724480
  O     12.73404629      8.73890031    -10.64952779
  H     13.45910296      9.86286148     -7.93552987
  H     13.82443143     11.09073928    -13.93102225
  O     14.50824474     14.76262726    -12.54037643
  H     13.43505691     11.76504860    -11.45130079
  H     15.21919644     10.49179323    -14.22286909
  O     16.95948330     10.71661194    -13.52800418
  H     13.20176068     11.52860454     -9.90350911
  H     10.55456292     10.31220844    -15.38246897
  O     10.34531074     12.10789437    -12.73776970
  H     11.68887005     11.73035428     -8.16642402
  H      9.19060409     10.86815251    -15.85627843
  O     16.11216139     11.88756532     -9.52037502
  H     13.10269744     12.37895786     -7.90560629
  H     17.00592255      8.59494836     -8.36265516
  O     14.27521103     10.34023728    -14.34680320
  H     16.73782552     12.33769767    -12.59394144
  H     15.55204469      9.07503104     -8.57365323
  O      9.71589078     10.70354844    -15.07804060
  H     16.59897845     12.76423787    -11.12148919
  H     13.48192660     14.45124717     -9.46475232
  O     16.46216156      9.15402696     -8.91117288
  H      9.12149819     11.94272098     -8.15934065
  H     13.47097075     14.81676650    -10.96259277
  O     12.90266173     14.70855494    -10.19046883
  H      9.99591913     12.57112836     -9.27551818
  H      9.71895036      8.94410610    -12.34307310
  O      9.62274068      8.51985087    -13.20518047
  H     12.07992778     12.46899254    -13.01812522
  H      9.49536271      9.23661347    -13.83888909
          69
 Energy    -249.74083187562280     
  O     12.14693313      4.32978806    -12.60123074
  H     11.40150131      4.92615219    -12.76259859
  H     12.67340796     12.21352159    -10.13698125
  O     14.03270383      9.67678048    -15.22931418
  H     12.83847082      4.56981360    -13.22895922
  H     13.94747661     10.91149809    -12.00815762
  O     17.79155902      7.85697190    -13.20973646
  H     14.21359496     10.05505054    -14.35148652
  H     14.34516750      9.45759362    -12.32676437
  O     16.61869526      9.20456504     -9.29373731
  H     14.06444729     10.39623254    -15.85443950
  H     17.05584463      7.22905649    -11.68871402
  O     10.80801716      9.75425387    -11.78542754
  H     18.43674402      7.17705605    -13.44174560
  H     16.58851055      7.60087544    -10.25011670
  O     16.16265902      3.39535304    -15.60733620
  H     17.05949733      7.76464435    -13.83770144
  H     13.44728406      7.55229186    -11.11411731
  O     12.06066149      8.19333613    -13.81057846
  H     17.26427618      9.47362196     -8.64533956
  H     14.88447329      7.40867621    -11.64995594
  O     15.60532550      4.41806286    -11.44105639
  H     16.85474749      9.64854817    -10.12846754
  H     10.73085097      6.92350379    -13.39111498
  O     13.79225241      9.50752664     -8.93817950
  H     11.45309852     10.36975195    -11.41865223
  H      9.99313654      6.63625602    -12.07192860
  O     17.52607476      5.66462260    -16.23838317
  H     11.21486109      9.34693265    -12.56156980
  H     18.76703486      4.88744280    -13.62593501
  O     17.16630091     10.20897334    -11.75710699
  H     16.05156430      2.78708113    -16.33244942
  H     20.21484172      5.35283969    -13.90997141
  O     12.82752484     11.40114073    -10.61089824
  H     16.66121039      4.15898424    -15.94973174
  H     15.16553910      6.65745765    -14.60562138
  O     14.48104013     10.37644049    -12.60850816
  H     12.73402882      7.87453764    -13.19003203
  H     15.10117704      8.12435289    -15.15327646
  O     16.52908943      6.92476262    -10.93531370
  H     12.54316196      8.67304051    -14.49142921
  H     17.17866943      3.35403598    -13.96892794
  O     14.00992045      7.74474784    -11.87677377
  H     15.99634991      5.25712976    -11.15262379
  H     17.01227703      3.74927017    -12.48760889
  O     10.20293391      6.25562716    -12.93245415
  H     14.81400905      4.28513031    -10.90697323
  H      9.09354515      7.77981235     -9.95818198
  O     19.30324786      5.62549458    -13.96822491
  H     13.38287676      8.63605331     -9.01721512
  H     10.17046297      8.44516642    -10.85027071
  O     15.69231620      7.38894754    -14.96031477
  H     14.74636647      9.37533086     -8.99782258
  H     14.90233885      4.85590465    -13.11065621
  O     17.67278916      3.59985075    -13.17683889
  H     16.90231940      6.34875934    -15.95781999
  H     14.95289024      4.40592821    -14.58943484
  O      9.93073744      7.62196739    -10.38589665
  H     18.25016087      5.69604923    -15.60099400
  H     12.76759734      3.54552324     -9.62921417
  O     14.53472274      5.03575165    -13.98797317
  H     16.29397968     10.41073147    -12.12108766
  H     12.69333356      4.27865531    -10.99251841
  O     13.09089215      4.30850877    -10.10076548
  H     17.53185627      9.50987762    -12.31545373
  H     11.62032034      7.17362601     -9.80606799
  O     12.56035113      7.04311271     -9.61924976
  H     13.15520022     10.75204878     -9.96123811
  H     12.74070760      6.09579397     -9.67566703
          69
 Energy    -249.74081496475455     
  O     13.89046882     13.44529140    -14.10465441
  H     14.56177066     12.74640697    -14.03548235
  H     14.19716430     10.52175818    -14.60944705
  O     15.62971851      9.14916622    -18.02114678
  H     13.36688555     13.23933639    -14.88874431
  H     15.78484016     12.42698474    -17.45880847
  O     15.38212681      8.61178664    -11.83047112
  H     15.62865206      8.66913095    -18.84594551
  H     15.27010217     11.00264208    -17.81760157
  O     17.30470879     14.57883743    -12.03590345
  H     15.06264514      8.65132319    -17.40849969
  H     13.48780357     12.29103576    -16.94734013
  O     14.19785513      7.89163129    -16.04149026
  H     15.95845984      9.32175704    -11.51705468
  H     12.00619275     12.73215655    -17.07362498
  O     14.33337855      6.11402093    -11.17348370
  H     14.50220483      8.99667378    -11.94381652
  H     18.45950331     13.04707772    -12.42265238
  O     15.27411149      4.85284474    -13.38839137
  H     17.67486937     15.31976677    -11.56023454
  H     18.74654639     11.93417081    -13.45411907
  O     15.65589898     11.30098059    -13.91884066
  H     16.65549315     14.16952675    -11.44322704
  H     13.04521732     11.46073514    -11.69764255
  O     12.79651231      9.64463604    -12.25270834
  H     13.77137006      8.68680779    -15.68676935
  H     13.30884067     12.80853141    -12.42367385
  O     16.22904542      7.39421345    -14.20765941
  H     14.92443798      7.68549648    -15.43353824
  H     17.10815568      8.99958484    -16.79495238
  O     18.15416759     11.48733528    -15.13806675
  H     13.40996056      6.33591057    -11.34269323
  H     17.33704964      8.37772599    -15.39955817
  O     13.32546062     10.20788648    -14.90092153
  H     14.81024521      6.95447926    -11.23834576
  H     13.17077991      6.55287061    -15.14832030
  O     14.99449143     11.91523506    -17.66984496
  H     15.63393290      3.98775208    -13.21393898
  H     13.62641852      5.43381282    -14.19807516
  O     12.66414950     12.44600772    -16.44712530
  H     14.97601030      5.21265325    -12.53304564
  H     15.30621383     13.44464521     -9.39130093
  O     18.84493728     12.16842331    -12.51958936
  H     16.48194558     11.37467490    -14.41355410
  H     14.66884562     12.97893124    -10.72093848
  O     13.29268194     12.38263532    -11.55590886
  H     15.90708956     11.13469458    -13.00274103
  H     15.35861804     14.51833666    -14.53039399
  O     17.73167034      8.96182999    -16.06042442
  H     12.85111734      9.82277845    -13.20359438
  H     16.69908948     14.76957357    -13.82926740
  O     12.85079607      5.93647612    -14.47797211
  H     12.34026305      8.79893942    -12.15753777
  H     16.34702459     11.64344483    -10.81965022
  O     15.50265332     13.26982504    -10.30792509
  H     16.07349381      6.46348504    -14.00487218
  H     17.58666810     11.23898329    -11.66238810
  O     16.27167416     14.79036345    -14.69362934
  H     15.99853450      7.88497346    -13.40579868
  H     12.09954259      6.63458329    -13.04910695
  O     16.74508179     10.91376467    -11.30670410
  H     17.97379216     12.12186468    -15.84103001
  H     10.91727362      6.64310500    -12.05292891
  O     11.78501754      7.00771063    -12.20621332
  H     18.12332517     10.59143654    -15.50843504
  H     17.69830045     14.10267229    -17.43745270
  O     17.22234650     13.49322965    -16.87953979
  H     12.94014441     10.91280355    -15.43435461
  H     16.89905025     14.00529136    -16.11596670
          69
 Energy    -249.74028030390684     
  O     12.69106828      8.99098695    -15.77732792
  H     12.08633026      9.19477793    -16.48574500
  H     11.08414375      5.69373572    -11.24175638
  O     12.92672296      9.83747459    -11.87460806
  H     12.14850294      8.70474405    -15.01957091
  H     16.49145231      4.05614305    -12.56432762
  O     15.65793567      6.33638692    -10.56448810
  H     13.49242556      9.09230427    -12.13086545
  H     16.19140525      4.43388188    -14.02215456
  O     13.71798516      2.63297898     -9.03575765
  H     13.16033392     10.03312286    -10.96099201
  H     14.74364513      7.56496871    -13.55881707
  O     14.03530166      9.94964041     -9.29157636
  H     15.56546944      5.39155011    -10.74381986
  H     15.43243607      8.66577968    -12.73180797
  O     13.94238996     11.07980692    -14.18024438
  H     15.38614887      6.82510164    -11.35836091
  H     11.37057160      7.49356927    -13.01359011
  O     15.24778151      3.67462175    -11.15065779
  H     13.23570791      3.42506202     -8.73713209
  H     11.65638656      8.98869092    -12.93976845
  O     11.72871045      2.41487560    -11.11694158
  H     13.85729166      2.08948617     -8.26509688
  H     18.65715574      7.21988980     -9.76419878
  O     16.36838531     10.20873954    -13.22716955
  H     14.02113580     10.58910014     -8.58478242
  H     17.24037729      7.07282691    -10.36894939
  O     12.25139249      4.83038666     -8.38850414
  H     14.93471345      9.96767357     -9.66647980
  H     18.11301283      8.62758636    -15.84149835
  O     10.11488695      4.42899328    -10.26436284
  H     13.50637682     10.85508060    -13.34563728
  H     17.74193733      7.89467098    -14.52670208
  O     11.75880783      6.22984457    -11.67884942
  H     13.54889183     10.49235924    -14.83507148
  H     14.15286738      6.86603447     -9.74817383
  O     16.88070794      4.46145879    -13.34882438
  H     14.51271799      3.79490447    -11.77155230
  H     13.41821449      8.14613052     -9.30888301
  O     14.83467139      7.90735993    -12.66279688
  H     14.87172780      3.23624728    -10.37797667
  H     17.12054345      9.24029647    -10.36119726
  O     11.33199924      8.30222111    -13.53973932
  H     12.18000151      2.85370001    -11.85190464
  H     16.53199594     10.22920047    -11.38193356
  O     18.06873487      7.58150799    -10.42223430
  H     12.39554378      2.30698482    -10.42751377
  H     17.80029741      6.01539572    -13.25237912
  O     17.39851813      8.48163806    -15.22804310
  H     15.58793407     10.63531253    -13.61418726
  H     18.26898522      7.15939679    -12.31310941
  O     13.28691197      7.20666828     -9.47789790
  H     16.83325543      9.76447851    -13.94551066
  H     14.15321181      7.91529875    -15.65403856
  O     16.49772608      9.97120076    -10.45040378
  H     11.42634873      4.73698727     -8.88033189
  H     15.71046782      7.75349144    -15.47666919
  O     18.20553888      6.89566164    -13.23654482
  H     12.60041418      5.70028931     -8.62474432
  H     14.70730273      5.56208560    -15.34307716
  O     14.86036823      7.29562370    -15.42836148
  H      9.19203270      4.19572498    -10.21881434
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  O     14.63791561      4.60523610    -15.18414247
  H     10.59280182      3.63951838    -10.57676147
  H     12.69517157      4.91971333    -12.56276043
  O     13.12588580      4.11023620    -12.87279652
  H     12.27162779      6.65007581    -10.97544191
  H     13.54046806      4.28669369    -13.72548632
          69
 Energy    -249.73996154583978     
  O     -5.34797198      3.32287621      1.92369896
  H     -5.38037178      3.86831804      1.12714876
  H      0.19179905      3.30500962      4.05356882
  O     -2.01525332     -2.78437795      0.57268542
  H     -4.87937206      3.85365256      2.57890054
  H     -2.83310516      3.70815361     -2.34544822
  O     -0.94469588      3.96938518     -2.52655116
  H     -1.06836746     -2.82084721      0.39188340
  H     -3.68832819      2.47476397     -2.00873090
  O     -3.14595510      0.73209626     -1.46062378
  H     -2.43338601     -2.58574584     -0.27440897
  H      0.20582533     -1.71224393     -1.58341988
  O      1.40509914      0.53356962      4.54441522
  H     -0.72295417      3.03146131     -2.39185287
  H     -1.12702941     -1.67007505     -2.35385713
  O      1.73217776      4.25819909      1.33766364
  H     -0.59428925      4.21277178     -3.38017449
  H     -1.73204704      2.25984169      4.37781703
  O     -1.39803071      2.78365345      1.23954163
  H     -2.20965507      0.96072308     -1.54446830
  H     -1.58533014      2.99857197      3.01951759
  O     -1.50324186      0.53752025      4.83078379
  H     -3.40403147      0.86525099     -0.53568047
  H     -3.65732768      5.69229018      0.51765142
  O     -2.99561798     -1.95546410     -1.98572176
  H      2.02374075      0.41046091      5.25898853
  H     -3.11640950      5.70956658      1.95701415
  O     -2.11249968     -0.69735952      2.36270757
  H      1.38238059      1.48847113      4.35210890
  H     -4.38616859      1.85787622      1.47400366
  O      0.62902812     -0.44484644      2.06728587
  H      0.96243233      4.65173772      0.89195736
  H     -2.87482194      1.84017139      1.17079604
  O      1.13982450      3.16203008      3.92789371
  H      2.46696609      4.84637510      1.18159164
  H     -3.92921910      5.40982061      4.43045793
  O     -3.73548063      3.42790108     -2.15364214
  H     -0.60625412      2.29360946      0.98795276
  H     -2.97607957      4.33622983      3.86062877
  O     -0.22165042     -1.33501946     -2.36269465
  H     -1.30758825      3.65480465      0.83631973
  H      0.15736999      1.47448195     -1.16286236
  O     -1.68400723      3.13882699      3.97301466
  H     -1.80592436     -0.00111215      4.08645383
  H     -0.28772810      0.44135000     -2.23026253
  O     -2.88750037      5.93610002      1.04748820
  H     -0.54836533      0.41486082      4.87682455
  H     -5.82057298      5.40956678     -0.87270661
  O     -3.66835023      1.28207915      1.17778443
  H     -3.70616103     -2.26963142     -2.53868565
  H     -4.66125230      4.40405984     -1.05889668
  O     -3.67582704      4.96834407      3.62385543
  H     -3.15614396     -1.00840842     -1.83465510
  H      1.03789015      0.96108581      1.00612672
  O     -0.41368117      1.35530731     -1.93550503
  H     -2.18267394     -1.49902073      1.82419767
  H      1.45807538      2.46353234      0.74944251
  O     -5.11794308      4.96428386     -0.40676862
  H     -2.74714537     -0.06186351      2.00550507
  H      1.52184398     -3.00190908      0.26549821
  O      1.02652921      1.68919633      0.36894781
  H      0.98888979     -0.20956565      2.93194564
  H      0.84119399     -1.72777126      0.80979007
  O      0.80627357     -2.39189176      0.10256649
  H     -0.33487426     -0.49508361      2.16418030
  H     -0.66391496      4.86725376     -0.89074969
  O     -0.51489000      5.15973872      0.01711369
  H      1.37273551      3.60438990      3.10417684
  H     -1.32295169      5.59164731      0.33966287
          69
 Energy    -249.73979476639050     
  O      0.52072298     -0.37339996      5.44420370
  H      0.48044076      0.58937457      5.29693667
  H     -2.27936779      4.33547880      0.32773062
  O      1.95943242     -1.41761767     -2.62840630
  H      1.01294327     -0.50796811      6.25026812
  H     -2.45640100      0.77647176      5.47913826
  O     -0.25103921     -0.29109538     -1.18320083
  H      2.02145505     -1.60321056     -3.56090504
  H     -1.40702662     -0.36757768      5.39773909
  O      1.35208464     -3.59883433     -1.20270920
  H      1.75584433     -2.26268990     -2.18267781
  H      0.45680466      1.74540441      1.68214289
  O      2.88582181     -2.85734982      1.01598131
  H      0.24184005     -0.04780600     -0.38644796
  H     -0.74149339      2.77353199      1.65035222
  O     -3.75085130      2.93649516      3.15292561
  H      0.40993775     -0.57728586     -1.82400715
  H     -3.11304963      0.93927556     -0.57145495
  O     -3.89740860     -3.55105668      2.76970630
  H      1.86925261     -3.49901727     -0.38996262
  H     -1.69798181      0.89457843     -1.19178855
  O      0.15682300      2.26055333      4.96563739
  H      0.42238642     -3.52850062     -0.95097093
  H     -2.16276335      0.02294978      3.41000247
  O      3.56599234     -0.47353421     -0.56047368
  H      2.41812893     -2.51685063      1.78908243
  H     -1.31572581      0.81635403      2.38510016
  O     -5.72086093      0.89932246      2.75344821
  H      3.27573268     -2.08794232      0.58605507
  H     -1.20232238     -2.82615069      0.53686767
  O     -4.70425932     -1.18815154      4.15659674
  H     -4.44415458      2.29298015      2.95995582
  H     -1.01122257     -1.93944111     -0.71978253
  O     -2.19769083      3.49174883      0.76414378
  H     -3.28795274      3.11491262      2.32658456
  H      0.41095369     -2.11063840      2.78581441
  O     -2.33627398     -0.15537936      5.24735697
  H     -4.24752676     -4.42942917      2.89176806
  H      1.08134754     -1.20419497      3.83951059
  O     -0.15776711      2.26098270      2.22351701
  H     -4.02416463     -3.32539151      1.82978718
  H     -3.01080307      2.78801435      4.70697968
  O     -2.44263770      1.48185124     -1.01039415
  H      0.13872507      2.35962357      4.00209671
  H     -3.05176928      3.18274626      6.20240907
  O     -1.91038795      0.06296569      2.47803330
  H     -0.72267825      2.51978294      5.26595153
  H      1.33306270     -0.31298577      1.69020634
  O     -1.25983954     -2.82767707     -0.42944244
  H      3.08152806     -0.76756964     -1.34899366
  H      2.20836551      0.20193787      0.51243202
  O      1.21766080     -1.60791899      2.97421862
  H      4.42442874     -0.18097744     -0.85613181
  H     -1.47823072     -1.65125410      2.35467981
  O     -2.60453087      2.61974760      5.57675402
  H     -5.40598286      0.14446151      3.28374938
  H     -2.07955612     -3.05007550      2.62420556
  O      1.38478961      0.35531421      0.99120214
  H     -6.66226278      0.95839423      2.89106288
  H     -4.14580460     -1.81082638      0.25445992
  O     -1.26901893     -2.59943234      2.36026046
  H     -3.93248802     -0.93396716      4.67970805
  H     -3.16019047     -2.89667396     -0.21510541
  O     -4.03172531     -2.76877439      0.18137691
  H     -4.47747992     -2.01920051      3.72164971
  H     -3.27714849     -0.00476291      1.28749351
  O     -4.04741131     -0.01349785      0.69823768
  H     -2.29687613      2.80907077      0.07615071
  H     -4.77736840      0.31863983      1.23332851
          69
 Energy    -249.73950592928665     
  O     13.06651026     10.66628473    -15.71284398
  H     13.50588574      9.88423641    -16.07557365
  H     16.73447248     10.23790234    -17.77991933
  O     17.24107165      6.56848979    -14.02826230
  H     13.75464095     11.33730167    -15.64521252
  H     16.44443638      9.77540221    -14.12409607
  O     18.25160153     10.26834364    -11.70152056
  H     17.93459035      6.69571760    -13.36660508
  H     17.50751425      9.46397550    -15.20724401
  O     19.09096013     10.25835100    -15.80395429
  H     17.01934445      7.46879055    -14.31788897
  H     12.13279133      9.97843504    -14.41627371
  O     14.93905408      8.92024310     -9.51579811
  H     18.05717163     10.15161729    -10.76276563
  H     10.81112155      9.76263180    -13.63843586
  O     14.85563889      6.71303270    -12.58211258
  H     17.45762825     10.63705680    -12.11471246
  H     17.94747979      7.83371305     -9.34131124
  O     15.97210105     11.12497314    -13.00668298
  H     19.51117041     10.61087392    -15.00978262
  H     18.46475721      6.98854862    -10.51787190
  O     18.25112530      6.70028670    -16.71083655
  H     19.64789400      9.53159563    -16.11328656
  H     12.35793353      7.71915692    -14.25046341
  O     15.41273217      6.11768836     -9.89386030
  H     14.96748292      7.95539744     -9.53926229
  H     13.48826047      6.74064306    -13.86702809
  O     20.60221375      7.98872321    -16.46039328
  H     14.53444561      9.19056604    -10.35045166
  H     19.61522245     10.77508664    -12.71261688
  O     21.24981204      8.26009233    -13.68586471
  H     14.99898729      6.40501281    -11.67873129
  H     20.77593065     11.74366245    -13.03616773
  O     16.94093905     11.08381611    -17.36649405
  H     15.66785222      6.53825302    -13.07678288
  H     18.71026951      8.44083402    -12.05796497
  O     16.71018215      9.12287202    -14.78230234
  H     15.21093669     10.61399893    -12.68973163
  H     19.90555915      7.65249542    -12.63886910
  O     11.72417119      9.49256666    -13.67676229
  H     15.70576457     11.63901744    -13.77948665
  H     16.54716371      9.49347790     -9.19462934
  O     17.98625863      6.93107572     -9.67877860
  H     17.85129744      6.47118205    -15.86229250
  H     17.56150630     10.15384238     -8.22984498
  O     12.89723356      6.99472343    -14.58922518
  H     17.59841533      7.19671241    -17.21869919
  H     15.63482970      8.28236247    -17.66972892
  O     20.30646803     10.98120255    -13.36462014
  H     15.24816782      5.34965229     -9.35379445
  H     16.11555709      8.06269614    -19.12203306
  O     19.06771585      7.54974336    -12.16559732
  H     16.36123885      6.32450707     -9.80944797
  H     14.36629878      8.46167250    -12.34115716
  O     17.48900317      9.71235210     -9.07159652
  H     19.79762154      7.44982653    -16.56833393
  H     13.18796510      9.44776106    -12.56920802
  O     16.40822434      8.34325631    -18.25821908
  H     21.19907324      7.73617719    -17.15933747
  H     15.90544678     11.89447370    -16.17965287
  O     14.05300668      9.35827307    -12.15016317
  H     21.10484485      9.20770339    -13.57572364
  H     15.36188241     13.26740623    -15.73174810
  O     15.37035722     12.34178285    -15.50048710
  H     21.11192852      8.08279142    -14.62491341
  H     15.25650319      8.63779292    -15.74380698
  O     14.53288059      8.35274584    -16.32241685
  H     17.79061868     10.94631325    -16.92357766
  H     13.95999002      7.76710038    -15.80686209
          69
 Energy    -249.73917214334531     
  O     19.11322147      8.87839051    -12.17220096
  H     18.84988651      7.94714404    -12.16949828
  H     13.30589182      8.06602538    -16.17868480
  O     13.46412117     11.03029332    -14.01623728
  H     19.00614647      9.18611197    -11.26475376
  H     13.46509408      5.86659359    -12.81677619
  O     12.61031304      3.38266037    -14.54169812
  H     13.43631334     10.25757781    -14.60397489
  H     13.51782550      4.37055308    -13.22925840
  O     12.27667573      9.60715749    -11.77206112
  H     12.91794110     11.69892766    -14.42428135
  H     15.90007385      8.96112996    -11.37237288
  O     16.03563480     10.58698133    -10.43328039
  H     11.99418706      4.11001767    -14.74435508
  H     16.51759401      7.56626306    -11.73689819
  O     16.05784708     11.59699767    -12.94050767
  H     12.09105273      2.58552334    -14.48677374
  H     18.80654943     10.46633245    -14.88025323
  O     14.85981650      4.76784074    -10.08015332
  H     12.68828632     10.19319471    -12.41816406
  H     18.51638681      9.72107340    -13.55476969
  O     14.53856238      4.62025128    -16.25693244
  H     12.65680579      9.83126841    -10.91524117
  H     14.73707350      7.57539878    -10.32960421
  O     18.49343626      9.62804097     -9.48749742
  H     16.92362913     10.42101133    -10.09547757
  H     13.97391434      8.27954492     -9.19705129
  O     11.17137247      5.61664266    -15.10352413
  H     16.09778923     11.06039153    -11.27835423
  H     17.40627243      6.52516607     -8.92054135
  O     12.90953828      6.58001612    -17.20355409
  H     16.73828170     11.19037284    -13.49052104
  H     16.20360018      7.47336202     -8.78006666
  O     13.54879250      8.70072437    -15.49392281
  H     15.20790525     11.42395601    -13.36467216
  H     12.30561343      8.01517400    -12.62207432
  O     13.97202483      5.04760230    -12.71289259
  H     14.52921000      4.76970013    -10.98902247
  H     12.83497369      7.75834337    -14.04472632
  O     15.71942734      8.11055436    -11.79384884
  H     14.54634915      5.59360677     -9.68790360
  H     14.47386168     10.38664768     -9.64471816
  O     18.09961765     10.14620530    -14.32707878
  H     13.95275876      4.05083270    -15.74176050
  H     13.38756275     10.81940756     -8.63077503
  O     14.41374475      7.45298130     -9.42322586
  H     15.26999138      4.84646725    -15.66935883
  H     16.56576750      4.70542762     -9.85955017
  O     17.16168618      7.42294818     -8.66713368
  H     18.05820832      8.82259098     -9.15218566
  H     17.85908323      3.98905864     -9.39618165
  O     12.46506471      7.31506152    -13.27037047
  H     19.09537245      9.91927219     -8.80805439
  H     16.77543480      8.89158468    -14.60878016
  O     13.59571526     10.16232578     -9.28941650
  H     11.58926014      5.97673787    -15.89525411
  H     15.81197903      8.26419535    -13.57025379
  O     17.53048879      4.80736952     -9.75686180
  H     11.41972401      6.21392944    -14.38369240
  H     17.51155347      5.92335787    -12.80240086
  O     16.03823532      8.27675441    -14.51440900
  H     12.80405406      6.48454844    -18.14630198
  H     17.89108109      5.75564617    -11.29750081
  O     17.93431175      6.35873617    -12.05036316
  H     13.53876661      5.89182475    -16.92111954
  H     15.52477001      5.34961512    -13.63004091
  O     16.29920228      5.51987023    -14.18890045
  H     14.47722978      8.53531204    -15.26269910
  H     16.25884306      6.45380208    -14.44190248
          69
 Energy    -249.73888437862581     
  O     14.54659206      3.52872053    -14.18311886
  H     15.14704621      4.27379465    -14.35139149
  H     18.93073655     10.89710961    -12.38712345
  O     16.28823688      7.78929880    -10.27070672
  H     14.74591360      2.86531509    -14.83937932
  H     16.58925123     10.04339257    -15.86591106
  O     15.84331322     11.82514354    -12.56273624
  H     16.84706485      8.38567424     -9.75969878
  H     17.79199788      9.07326286    -15.82874542
  O     18.21032303      7.16914452    -15.72650245
  H     16.12062686      8.25354268    -11.10727865
  H     16.05756733     10.00322823    -12.63297905
  O     15.79779401      3.53169464    -11.50670111
  H     15.07942410     11.92736497    -13.14622473
  H     17.05727132      8.82972858    -12.91014718
  O     12.26615705     10.05487759    -12.41010700
  H     16.64712948     12.00474669    -13.06737393
  H     12.98291295      4.09127711    -13.40099404
  O     13.56846331      7.37651359    -10.03968546
  H     18.65968962      6.67644482    -16.40893351
  H     11.48502874      3.81445062    -13.14897734
  O     14.79300851     10.02032983    -15.94322698
  H     17.50125043      6.59779071    -15.39065206
  H     16.21318224     10.84630580     -9.58791375
  O     12.94788196     10.10039928     -9.64154677
  H     15.05331565      3.83728934    -10.96555449
  H     15.54140488     11.57353563    -10.77005234
  O     18.74618507      7.87067624    -13.03760385
  H     15.41422352      3.30574624    -12.35907351
  H     13.45930111      5.47299186    -10.07304841
  O     17.32927442      5.76347819    -11.86978515
  H     12.44569856     10.13990152    -11.46541828
  H     12.93290677      4.46471264    -11.10819972
  O     19.14263175     10.26646862    -11.68957271
  H     12.14262925      9.11136370    -12.56882681
  H     18.79863760     12.53644044    -14.36881752
  O     17.54567262      9.99551842    -15.71268866
  H     14.53495740      7.43441854    -10.03591159
  H     18.06238921     11.19448503    -14.59387247
  O     16.14102603      9.04370059    -12.69428265
  H     13.25632982      8.25411946     -9.78659243
  H     18.47908043     10.07580807     -8.60217812
  O     12.19628294      4.41379311    -12.93425292
  H     14.32708446     10.67965319    -15.41559042
  H     18.34451093     10.08766983    -10.14179150
  O     15.38330553     11.24472511     -9.87420795
  H     14.55071806      9.16897065    -15.55458824
  H     13.02620586     11.15873028    -13.50968906
  O     13.48813834      4.54096524    -10.32386846
  H     12.46700830     10.55149184     -8.95285399
  H     12.87202091     12.45624099    -14.33669559
  O     18.28291161     11.86891214    -13.92490527
  H     13.82836204     10.51549371     -9.68651046
  H     15.52403523      6.41244500    -14.47549624
  O     17.86061079      9.92614254     -9.31206431
  H     18.75410643      7.66898973    -13.98053462
  H     16.58688968      5.73763050    -13.54731921
  O     13.50055598     11.78381430    -14.08780938
  H     18.42906538      7.07517395    -12.58677176
  H     12.79013805      7.24315773    -11.68928635
  O     16.20486196      5.72105117    -14.43755865
  H     16.92098950      4.90707565    -11.67298751
  H     12.16104823      6.28564632    -12.73036890
  O     12.35805443      7.21335699    -12.55639820
  H     16.98349946      6.38544766    -11.21453002
  H     13.62430425      7.54761309    -13.80905835
  O     14.40505580      7.74660333    -14.34054427
  H     19.19293420      9.40374735    -12.12548084
  H     14.99642588      8.26263890    -13.76770525
          69
 Energy    -249.73886422019214     
  O     15.61543996      6.71295898    -13.21616664
  H     14.84490435      7.08628093    -12.76330278
  H     19.35875670      7.05694792    -14.64409900
  O     18.13755816      9.99127249    -11.16532036
  H     16.38321685      6.80759057    -12.63696123
  H     15.99665228     11.02224137    -17.31511590
  O     18.37674320      9.92552667    -15.56554866
  H     17.84397590      9.99330826    -10.24648020
  H     17.28081259     11.22034125    -16.49938531
  O     12.59155452      7.37938489    -14.82326948
  H     17.49497211     10.52374445    -11.66206154
  H     15.14611158      9.40786780    -14.90656811
  O     14.26974648      9.99993078     -9.23417161
  H     17.51274373      9.66091616    -15.20801103
  H     15.88667506      8.29721871    -14.09677821
  O     13.37190643      7.89054031    -12.12216716
  H     18.95189948     10.08097571    -14.80700507
  H     11.93770889     12.28942647    -14.59400085
  O     16.30136408     11.24316088    -12.70022754
  H     13.18422985      6.67327311    -15.10735730
  H     12.98702492     11.17938233    -14.83495814
  O     16.09930058      7.17047078    -17.36474245
  H     12.70859127      7.46953108    -13.86778176
  H     16.94617018      6.92666257    -10.03988891
  O     13.70862015      7.18746794     -9.43469192
  H     13.97305120     10.35540171    -10.08194464
  H     16.67397334      7.93774615     -8.91372942
  O     18.81924116      7.39145539    -16.50424911
  H     13.94903159      9.09021028     -9.20431552
  H     20.76829911     10.46339797    -13.00638291
  O     14.71648008      5.53652007    -15.48730836
  H     13.45666546      8.85377255    -12.08839315
  H     19.40919057     10.00695277    -12.43716421
  O     19.64060109      7.12781409    -13.72510141
  H     13.36314480      7.57962801    -11.20780367
  H     17.89606117      8.17029086    -11.49171826
  O     16.49356390     11.68043811    -16.81607056
  H     16.11878704     12.01714042    -13.25314536
  H     18.49745250      7.02303300    -12.33837497
  O     15.97443641      9.18447956    -14.46341290
  H     16.21149270     10.47890138    -13.29054571
  H     17.08790143     10.25406234     -7.80197118
  O     12.75790437     11.93294643    -14.26283451
  H     17.01884596      7.14570272    -17.07434122
  H     15.97330074      9.97885550     -8.83845224
  O     16.41314480      7.07009273     -9.24689856
  H     15.61207035      6.57154524    -16.78590484
  H     14.78074299      9.50622867    -19.01058852
  O     19.98918780      9.95329275    -13.21454379
  H     13.30092187      6.58690835     -8.81684304
  H     15.40314935      8.68231442    -17.85932279
  O     17.82400699      7.22320145    -11.67188406
  H     14.67145753      7.05660410     -9.36252605
  H     13.21381135     11.14915034    -12.59831572
  O     16.91667860      9.83536762     -8.64133564
  H     19.50898520      7.34144395    -17.16263656
  H     14.63215972     10.89537126    -12.07072756
  O     14.98776627      9.53523583    -18.08034760
  H     18.72345845      8.33130587    -16.27164753
  H     14.51360030     12.81662043    -14.52926213
  O     13.70229460     10.67390709    -11.91580832
  H     14.70396069      4.58395894    -15.43692657
  H     15.78322458     12.64468239    -15.39973801
  O     15.45411874     13.02231311    -14.57029492
  H     15.11030034      5.85644182    -14.65648816
  H     13.10496326      8.92509237    -15.50100719
  O     13.52013983      9.77110314    -15.73029769
  H     19.90467144      8.04862629    -13.60148564
  H     13.89512371      9.70701250    -16.61757982
          69
 Energy    -249.73816641297537     
  O     16.66195039      3.41074719    -15.09612720
  H     17.38279295      3.32538082    -14.46000310
  H     18.28338310      6.25292223    -12.38120482
  O     18.43604005      7.68524576     -9.68896031
  H     16.53476396      4.35796552    -15.24285544
  H     16.03020356     10.71792585    -14.58536705
  O     13.76520218     12.13423148    -11.18511081
  H     17.51520096      7.54866303     -9.41864380
  H     17.23120140     10.09426986    -15.31218079
  O     19.04238847      9.83055527    -14.62188013
  H     18.62663883      6.96280271    -10.29697771
  H     13.93473988      8.54303598    -16.59949077
  O     18.47964785      3.03710149    -12.89525271
  H     13.24737231     11.31016751    -11.23873490
  H     15.08692967      9.04163852    -15.69494760
  O     12.50556758      9.73045426    -11.22467156
  H     13.14063496     12.84848636    -11.09742921
  H     14.98028412      8.34558406    -12.36869854
  O     15.71546266      7.35677611     -9.44689095
  H     19.86040044     10.08440449    -15.03947449
  H     15.84931014      8.26146831    -11.08130181
  O     13.41545632      7.86886781    -13.17833487
  H     18.95233240     10.37906271    -13.82076424
  H     13.95186148      1.82885311    -14.39217656
  O     18.52843714     11.28968779    -12.40809523
  H     19.15992594      2.37086721    -12.83950045
  H     15.20446631      2.74026306    -14.39340396
  O     13.58616477      8.97449851     -8.67952237
  H     17.71127642      2.69476164    -12.40381720
  H     15.02237277     11.45026648     -9.85127802
  O     16.05919087      6.15939919    -15.09090301
  H     12.76534998      9.34099644    -10.38004674
  H     16.35373840     10.77034393     -9.41682245
  O     18.35469253      5.59209067    -11.67624944
  H     12.68884967      9.07156354    -11.90599582
  H     15.18101648      5.10768083    -11.63270090
  O     16.28204035     10.24042494    -15.38927040
  H     15.54367293      6.46921154     -9.79260635
  H     16.64229203      5.21867062    -11.10345700
  O     14.41218590      8.34581312    -15.79813121
  H     14.89667080      7.73362419     -9.10617747
  H     15.08102256     11.69799844    -12.38191235
  O     15.82677806      8.60744080    -11.98158390
  H     13.63300898      8.09934835    -14.09127178
  H     15.83275586     10.34807602    -12.48121315
  O     14.42012008      2.47901524    -13.87614887
  H     13.49901762      6.90726872    -13.11193692
  H     18.37471100      9.43024059     -9.74603835
  O     15.43074146     10.90174858     -9.17075443
  H     18.54990838     10.98541648    -11.49275669
  H     18.79988542     10.72820365     -9.03072150
  O     15.73375308      4.99845250    -10.84647917
  H     17.59612331     11.47961589    -12.58473479
  H     14.08991160      4.27548276    -13.39463371
  O     15.78810688     11.24318728    -12.85292271
  H     14.25786917      9.67597406     -8.77557251
  H     14.88789748      5.51955633    -13.84653796
  O     18.24259083     10.39436918     -9.73032001
  H     13.16640321      9.10741497     -7.83382774
  H     15.50430914      2.21605933    -12.29803788
  O     14.23189925      5.21043745    -13.20327236
  H     16.75721571      6.62268799    -14.60512866
  H     15.96929370      3.12855723    -11.14896851
  O     16.18145944      2.30927735    -11.61640448
  H     15.50062790      6.84120850    -15.48323482
  H     17.17934332      7.97823178    -12.97176590
  O     17.85002122      7.55876457    -13.53317063
  H     18.54927723      4.74692981    -12.09881654
  H     18.36636452      8.26665032    -13.93587572
          69
 Energy    -249.73732548539826     
  O     17.48486286      4.46813524    -14.06419314
  H     16.74482200      4.48800290    -14.69870390
  H     12.17915046      8.23367230    -13.06342170
  O     12.73429507      7.12470358    -14.35605748
  H     18.05212585      3.74910371    -14.33110431
  H     15.47232797      7.76192101    -13.02646069
  O     10.82954790      6.78784894    -10.87223534
  H     13.61751942      7.51314021    -14.25010652
  H     15.16401093      9.16101296    -13.65170065
  O     15.33210221      4.53652701    -15.68905488
  H     12.83064194      6.18201538    -14.17241311
  H     19.06565798      8.48132367    -11.10849582
  O     16.20321106     11.06631068    -16.04332405
  H     11.38034255      6.80186959    -10.07994243
  H     18.33706760      8.07144277    -12.40830597
  O     18.40317216      7.18099755    -13.91819222
  H     11.07561257      7.57355793    -11.37701721
  H     12.66526573      7.66764301    -16.13476346
  O     12.81508734      6.65660501     -8.79475376
  H     15.21440083      5.20108781    -16.37779114
  H     13.64499043      7.53840535    -17.31241264
  O     16.79909183      8.30533877    -16.01423405
  H     14.50040207      4.46796466    -15.20413832
  H     13.11582590      9.77383847    -16.60503550
  O     11.17646928      4.27410592    -11.86036499
  H     16.62567673     11.89457901    -16.25661580
  H     14.24946781     10.80462486    -16.38703325
  O     13.42471147      4.33515914    -10.07551375
  H     15.94085545     11.12150230    -15.10763885
  H     12.47629364      4.29242328    -13.19845570
  O     15.47730481      4.43770553    -12.03244332
  H     18.13515958      6.25324424    -13.93765652
  H     14.01455621      4.43881876    -13.14535439
  O     12.01494461      8.88278928    -12.36192050
  H     18.04391928      7.58032692    -14.71937889
  H     15.68269260      6.52893576    -18.49527080
  O     15.17972865      8.21135416    -13.82866401
  H     12.70178991      6.48687858     -7.86342950
  H     15.91054666      7.22537211    -17.13363052
  O     18.21219956      8.48310090    -11.53405228
  H     13.10007409      5.81780810     -9.19984170
  H     11.88848588     12.06003819    -13.82789763
  O     12.88654979      8.04324091    -16.99825101
  H     16.74539493      9.25342715    -16.18622378
  H     12.66798639     11.06054599    -14.71703520
  O     13.30487947     10.66408252    -16.27110261
  H     16.21660864      8.15666044    -15.25016868
  H     15.18999218      7.59153320    -10.94663781
  O     13.25341821      4.46766118    -13.74379350
  H     10.98435611      5.18316185    -11.56860739
  H     16.71501781      7.46304354    -11.27886059
  O     15.31719536      6.62841693    -17.61939089
  H     10.35217589      3.79608786    -11.82834624
  H     15.56380815     10.95279360    -12.56873913
  O     12.44730285     11.28830660    -13.79419569
  H     12.65674196      4.16510803    -10.63549998
  H     14.28939379     11.21108989    -13.45434822
  O     15.85517044      7.03377559    -11.37353070
  H     14.19686127      4.22344491    -10.64411265
  H     15.40253446      9.91922135    -10.60440068
  O     15.23312337     11.00848904    -13.47770126
  H     16.21361554      4.26769663    -12.63001838
  H     16.87084672      9.84515247    -11.10686561
  O     16.12363336     10.44238801    -10.98012046
  H     15.59651413      5.35658594    -11.74148084
  H     13.56656596      8.09789674     -9.68220085
  O     13.94392300      8.70984919    -10.32789155
  H     12.04213201      9.74702034    -12.78830958
  H     13.28425783      8.81923711    -11.02805597
          69
 Energy    -249.73731906452628     
  O     11.00780788      9.85318441    -15.15232070
  H     11.34721526      9.39373288    -14.37194072
  H     16.97132816      6.97170930    -14.70126570
  O     14.46918901      7.51374916    -12.18557881
  H     11.64776910      9.71934834    -15.86254806
  H     19.38292104      7.87054574    -15.03355507
  O     16.60229811     11.77131627    -13.97945267
  H     15.04111458      7.93209954    -11.53286356
  H     19.13083031      9.05180412    -14.07645368
  O     12.89112218      9.66683715    -17.26874381
  H     15.02911697      7.37444684    -12.96186579
  H     16.49242482      9.04534041     -9.61810582
  O     14.02204029     10.93771626    -13.68496593
  H     15.70002859     11.42228289    -13.90040308
  H     15.61909721      9.87104617    -10.59204216
  O     13.33774726     14.67395042    -12.75361441
  H     16.80321253     11.74703881    -14.92400017
  H     16.35762331     10.43086488    -16.65301238
  O     12.24232582      8.96278051    -12.82737876
  H     13.30672278     10.54568068    -17.34037991
  H     17.73962801     11.05282672    -16.93661936
  O     12.91557931     13.13786222    -15.06074057
  H     12.58324372      9.43792805    -18.14267593
  H     10.45175406     11.44193675    -14.85240834
  O     17.84190437      7.83819226    -17.84650586
  H     13.56529596     11.63218045    -14.17632251
  H      9.41354814     12.56657346    -15.09340865
  O     11.67973333     10.66265776    -10.57990000
  H     13.39840232     10.21667190    -13.53541078
  H     13.52896676     10.99208942    -10.59418199
  O     18.43514276      6.30785296    -15.67875636
  H     14.18669039     14.30575896    -12.45187073
  H     14.32743299     11.10850897    -11.89925768
  O     16.30814172      7.54616561    -14.29863925
  H     13.37671216     15.61403137    -12.59905928
  H     13.79925466     12.56887984    -16.58624521
  O     19.66266844      8.77221611    -14.83351254
  H     12.95833573      8.35517298    -12.58431155
  H     15.11143011     11.98991843    -17.18604317
  O     16.24538759      9.12967029    -10.53556551
  H     11.97437229      9.43048171    -12.02745572
  H     17.42824226     10.35178964    -13.23578952
  O     16.83303715     11.27554298    -16.69370928
  H     11.96502033     12.96373000    -15.03892386
  H     17.36189733      9.37078440    -12.02880436
  O     10.24642110     12.37799622    -14.67074013
  H     13.10022358     13.77517136    -14.35889250
  H     16.13340517     13.04509358    -12.65089347
  O     14.42072954     11.13396111    -10.93391028
  H     16.95897284      8.13880449    -17.58729280
  H     15.32114178     12.77591624    -11.37002185
  O     14.15931005     12.06173270    -17.32674743
  H     18.40598194      8.61976644    -17.79814179
  H     15.63403441      8.38317168    -15.78275284
  O     17.74819758      9.50023956    -12.90302518
  H     11.02944845     10.57391056     -9.88884134
  H     14.57047851      8.97186671    -16.77487364
  O     15.63956115     13.48398013    -11.94470079
  H     11.45895850     11.47428719    -11.07324336
  H     11.89771294     13.52362530    -12.19286345
  O     15.51195933      8.82214910    -16.63579350
  H     18.24971606      6.76343878    -16.51991131
  H     10.77772110     12.72751210    -12.89710594
  O     11.19655369     12.87902862    -12.04013440
  H     18.74612838      5.43458000    -15.89964580
  H     19.53930074      9.72505905    -16.30196765
  O     19.38637998     10.17114722    -17.15445823
  H     16.79756692      8.23905932    -13.83128688
  H     20.23497662     10.48337839    -17.45628373
          69
 Energy    -249.73719106742499     
  O     19.91837835      9.39402169     -6.78508156
  H     20.28214804      9.86185034     -6.03856753
  H     21.49794111      8.56681686     -9.23222393
  O     17.08116304      5.81470387    -14.14621460
  H     20.55804214      9.48734548     -7.51620463
  H     16.84522005     10.58933425    -11.91128630
  O     18.08346707      8.19573042    -13.07925197
  H     16.65140625      5.48499215    -14.93081871
  H     15.70011113     10.80103124    -12.93242369
  O     21.76540953      6.05246782    -12.29239394
  H     16.47335316      5.65640131    -13.40304555
  H     18.75379536      5.08276356    -13.39143016
  O     15.54112112      5.55760490    -11.90722678
  H     17.72813969      7.42695881    -13.54265099
  H     18.96039137      4.48861790    -11.99257483
  O     20.83526972      8.67677728    -12.94014672
  H     17.38602955      8.85999651    -13.01647978
  H     13.28128307      7.34850158    -10.40963411
  O     14.89706449      4.71503428     -8.14024461
  H     20.94530010      5.56543025    -12.49470593
  H     12.76056783      5.90933647    -10.23160206
  O     21.00122804      6.84225687     -9.69937773
  H     22.48431307      5.53946153    -12.65054537
  H     16.29916917      7.38739217     -8.10758217
  O     18.41866086      7.68608416    -10.33013050
  H     14.84110521      5.00605317    -11.53532933
  H     14.87671587      7.88641992     -7.74434887
  O     19.78706982      6.52748311     -7.15087360
  H     15.40294339      6.45144168    -11.56313293
  H     15.31197200      8.82645376    -11.38486112
  O     17.83462691      9.87023185     -8.59125700
  H     21.23163354      7.81691103    -12.75752363
  H     15.27703858      8.18685767     -9.96392466
  O     21.51514091      9.49027626     -8.94392185
  H     19.89631685      8.51342628    -13.10469455
  H     21.50030559     11.50683872    -11.74914794
  O     16.15442905     10.13247984    -12.42721907
  H     14.38375231      5.41052594     -7.71112470
  H     20.92788972     10.08481463    -11.95159948
  O     19.43681981      4.79167892    -12.77984814
  H     15.80756670      5.03352252     -8.18375163
  H     17.69952596      6.46360163     -9.21324816
  O     12.59072238      6.82572372     -9.97958331
  H     21.40383165      6.49260835    -10.50217716
  H     18.20135141      6.03194716     -7.82005095
  O     15.71613998      8.15935372     -8.13447654
  H     20.10889890      7.12189038     -9.95529559
  H     12.93636859      6.96234052     -8.25934750
  O     14.96888316      8.08369284    -10.87403397
  H     18.30668048      7.84627219    -11.27428110
  H     12.57167499      7.12020727     -6.76152225
  O     20.90589858     10.86537875    -11.36852937
  H     18.29414890      8.52041806     -9.85965217
  H     17.99390079     10.90909487    -10.05613463
  O     17.44613029      5.95967509     -8.42301374
  H     20.35327696      6.47883024     -7.93383114
  H     19.06111244     11.17500266    -11.13971991
  O     13.30347092      6.98738090     -7.35728351
  H     19.81340269      7.45184538     -6.87599186
  H     17.78108807      4.52283888     -9.78772964
  O     18.11433744     11.22814847    -10.96238513
  H     17.02984720      9.41634065     -8.30744635
  H     16.96971237      4.61761693    -11.08026460
  O     17.73510111      4.17937032    -10.68489614
  H     18.49707427      9.75538540     -7.89768552
  H     14.08602523      4.28226239     -9.61980668
  O     13.60320714      4.18066908    -10.46084027
  H     21.33631036     10.02120551     -9.72873669
  H     13.25925879      3.29196797    -10.47553165
          69
 Ord_Energy   -249.736221    
 O   -6.94653320      -6.21897030       2.92482138    
 H   -6.27646017      -5.51648188       3.00028324    
 H   -7.49080229      -5.99639702       2.17399335    
 O   -5.75748730      -7.63836670       11.3588009    
 H   -6.50941133      -7.80519581       10.7601366    
 H   -6.04725075      -7.87105513       12.2365007    
 O   -6.47660971      -3.22415662       5.72640133    
 H   -7.00213385      -2.82191277       6.42754745    
 H   -6.72891283      -4.15999365       5.71315765    
 O   -1.16430211      -6.91900826       7.25005960    
 H   -1.33325410      -7.82031631       7.54874468    
 H   -1.82656085      -6.36322927       7.68532705    
 O   -4.13972235      -9.17175484       9.54769039    
 H   -4.54631758      -8.66889477       10.2605982    
 H   -4.82730293      -9.27466011       8.87453365    
 O   -3.30311227      -5.40917015       8.13288689    
 H   -3.95546079      -5.42503738       8.84576416    
 H   -3.42882085      -4.57547283       7.65842342    
 O  -0.905842423      -6.07709980       4.72443056    
 H  -0.951978862      -6.38020229       5.65098238    
 H   -3.07171196E-02  -6.28802013       4.41036034    
 O   -4.73780680      -6.98775768       6.35636568    
 H   -4.19826603      -6.48347187       6.97764349    
 H   -4.17652130      -7.25292492       5.61708307    
 O   -5.41855335      -5.25881529       9.90440464    
 H   -5.44893265      -5.99408722       10.5281734    
 H   -6.21506166      -5.33020782       9.35913658    
 O   -6.05123806      -9.13155365       7.51230335    
 H   -5.59216881      -8.36313629       7.14102983    
 H   -6.05279207      -9.79208755       6.80992651    
 O   -2.82208395      -10.1551914       5.54892969    
 H   -2.53803992      -10.0196943       6.46169996    
 H   -3.73252559      -10.4730730       5.57170630    
 O   -5.26348257      -2.52835226       9.16961479    
 H   -4.63032770      -2.55391955       8.44214821    
 H   -5.22290802      -3.39808726       9.59117413    
 O   -7.78705931      -5.34502172       8.35298443    
 H   -7.67985487      -5.61131668       7.42807388    
 H   -7.95754337      -4.39585018       8.34222889    
 O   -3.11200476      -7.80754280       4.22228622    
 H   -2.32889009      -7.25090504       4.25712299    
 H   -2.88766575      -8.65543079       4.64277649    
 O   -7.77549601      -2.48776197       8.13786125    
 H   -8.31349754      -1.77659631       8.47436619    
 H   -6.90381670      -2.40990043       8.56645393    
 O   -2.47527027      -3.81804442       4.32485056    
 H   -1.91757476      -4.59960175       4.46102905    
 H   -1.96005929      -3.20541787       3.80353713    
 O   -7.15606213      -5.91649771       5.71665955    
 H   -7.30907536      -6.09659624       4.78254890    
 H   -6.28982353      -6.30224800       5.92513037    
 O   -1.86241508      -9.52045536       8.15644264    
 H   -2.65198207      -9.37988949       8.70917034    
 H   -1.28709257      -10.1020193       8.64675713    
 O   -3.85973191      -3.10050488       6.70521450    
 H   -4.77065372      -3.12892199       6.37706852    
 H   -3.29888988      -3.23841381       5.93266726    
 O   -7.68603563      -7.95559597       9.48161030    
 H   -7.91671801      -7.08697987       9.12903786    
 H   -7.25622034      -8.43561268       8.75955963    
 O   -5.65767097      -10.7059536       5.22919464    
 H   -5.99925327      -11.5059490       4.83895969    
 H   -5.71248341      -10.0167055       4.54269218    
 O   -5.20522785      -4.15482712       3.37075543    
 H   -4.27262354      -4.14143658       3.61128998    
 H   -5.65797138      -3.64686370       4.05736256    
 O   -5.60703278      -8.70524311       3.37982726    
 H   -4.70400906      -8.37609482       3.49592209    
 H   -6.13904524      -7.92877197       3.17485452    
          69
 Energy    -249.73586370590641     
  O     16.05711523     11.84463954    -12.23572801
  H     15.26628064     11.94464946    -12.77958111
  H     17.90519980      8.62628163    -10.03391473
  O     15.42250804      6.65976853    -15.14362299
  H     15.76566334     11.52835132    -11.37194559
  H     15.92112743      7.73063145    -13.72291860
  O     13.54066784      6.17884968    -10.88755139
  H     16.36608473      6.67171841    -15.37211457
  H     16.80569056      8.80216420    -13.00667659
  O     17.82786491      9.97627642    -15.93202043
  H     15.24034907      5.92207004    -14.54878918
  H     13.21289019     12.71911795    -14.15282658
  O     10.39491443      7.65684746    -13.43802359
  H     13.61569548      7.13381738    -11.03799084
  H     13.21057770     11.21931138    -13.78105261
  O     13.33940049      8.26836498    -15.76731065
  H     12.62104778      5.94005968    -11.05723954
  H     11.72649612      4.76114900    -13.30012305
  O     13.98798314      8.82990004    -11.41169673
  H     16.86809050     10.13324915    -15.98905233
  H     13.12131505      4.48807655    -13.89050032
  O     19.45329233      6.68845868    -13.12963221
  H     18.22237167     10.41918472    -16.67862444
  H     14.76576643     11.04929029    -15.33789930
  O     11.21893819      6.40978290    -15.87691812
  H     10.52535507      7.28952148    -14.32169820
  H     14.51109032      9.71218865    -16.05745622
  O     18.05553695      7.12246320    -15.52586377
  H     10.95306341      8.44369271    -13.39776166
  H     15.01246490      6.03166506     -9.83686193
  O     17.16923598      5.67234438    -11.86584423
  H     12.58706492      7.69688516    -15.95925695
  H     15.76599586      5.49879902     -8.59852132
  O     17.11575813      8.65421703     -9.47914912
  H     14.09095763      7.67691336    -15.59912978
  H     14.31554152      5.30728014    -12.37704776
  O     16.14989527      8.10939538    -12.86420366
  H     14.77480760      8.59359169    -11.93186988
  H     15.71652973      4.84953130    -12.76528796
  O     13.78624538     11.98224596    -13.95636524
  H     14.27671831      9.48237571    -10.76341343
  H     10.69998988      6.37945902    -12.29308256
  O     12.18782649      4.56387725    -14.12467154
  H     18.80854698      6.11013822    -12.69996993
  H     10.13579312      5.30479103    -11.33330159
  O     15.15546668     10.42520260    -15.96049301
  H     19.58272816      7.40725961    -12.50097983
  H     18.96005187      9.42058682    -11.91882261
  O     15.87146142      6.03151163     -9.38311046
  H     10.76057266      5.98128704    -16.59468432
  H     20.16752699      9.35100113    -10.95639248
  O     14.80152284      4.84553299    -13.07492021
  H     11.59947754      5.70272063    -15.32524565
  H     12.92441640      9.34560177    -12.74910276
  O     10.93967368      5.61021747    -11.74494599
  H     18.62783999      6.97824066    -14.75863032
  H     12.76264591      9.14972639    -14.29357307
  O     19.38146411      8.88168595    -11.22591146
  H     18.08688898      8.06517655    -15.72461262
  H     15.18256350     11.07900275     -8.90754453
  O     12.42379223      9.63632903    -13.52617271
  H     16.89252108      5.64011788    -10.94308440
  H     15.99151801      9.96178792     -9.61040607
  O     15.30382699     10.64000655     -9.74475396
  H     16.88702683      6.54358762    -12.18747680
  H     18.05088090     10.20868578    -14.12192843
  O     18.00807945     10.20121704    -13.15801623
  H     16.76245775      7.75872809     -9.43194340
  H     17.36649407     10.86991341    -12.86953095
          69
 Energy    -249.73538439235378     
  O     12.01605633     11.03159206    -15.40441615
  H     11.46169693     10.63962533    -14.71912517
  H     15.25547403      5.99789908    -15.16889701
  O     15.01108607      6.78579791    -13.51909761
  H     12.46602815     11.78558566    -15.00469303
  H     18.44197720      7.54516941    -14.33722630
  O     16.37449556      9.91656897    -10.94408441
  H     14.17767554      6.71848886    -13.03652345
  H     18.84307602      8.49820076    -13.18441897
  O     17.55149568     11.04702907    -14.79689691
  H     15.70912931      6.84037941    -12.85358251
  H     16.42694838     12.32176985    -15.53551784
  O     12.86214399      6.76923125    -16.72423521
  H     15.79165783      9.65821219    -10.21517319
  H     15.59054494     12.27974439    -16.82708915
  O     14.36179420      8.93919973     -9.33711846
  H     15.79803137     10.36398420    -11.58020240
  H     15.20983875      8.34555519    -14.32149953
  O     12.78797602      6.71662287    -11.89847772
  H     18.05074483     10.91689935    -13.98283251
  H     14.80450550      9.28403773    -15.51576205
  O     14.51995539     10.88688065    -12.75710924
  H     16.84392241     10.38689400    -14.78282745
  H      9.53067631      9.65005154    -13.39695856
  O     18.05462002     10.03206156    -17.42045051
  H     12.44758661      6.20966135    -17.37632225
  H     10.73190027      8.76336852    -13.80583893
  O     14.76090739      6.12876716     -9.92648675
  H     13.75495556      6.40991827    -16.57526888
  H     11.87780832      7.01564886    -15.08164366
  O     17.54875358      7.69760971    -16.03711286
  H     13.60305029      9.16546239     -9.89049785
  H     11.78302478      6.82470107    -13.53850833
  O     15.35363688      5.89616656    -16.12702765
  H     14.42196589      7.97686009     -9.35690009
  H     19.44822705     10.63441536    -11.81386964
  O     18.67431468      7.57364745    -13.40057600
  H     13.31806908      6.36514954    -11.17270917
  H     17.96511345     10.20875359    -11.76240539
  O     15.68105442     12.74194443    -15.98554398
  H     12.66572703      7.66059812    -11.71318962
  H     16.66401814      8.09980346    -11.25629867
  O     15.40966593      9.18199487    -14.76780670
  H     14.22737901     11.71880188    -13.14873368
  H     17.56597759      7.14645221    -12.07761339
  O     10.48282268      9.63582527    -13.44883122
  H     14.77506383     10.31144319    -13.49129124
  H     14.78757077     10.42617211    -17.85313160
  O     11.34660442      7.22004807    -14.30375927
  H     18.09837762     10.48486310    -16.56768181
  H     15.15838272     11.19199957    -19.14209691
  O     18.73377021     10.29732645    -12.34933975
  H     17.23912546     10.34549454    -17.82958609
  H     11.71130196      9.59973144    -12.01728699
  O     16.82114630      7.16683247    -11.45679532
  H     15.00790566      5.40044272     -9.36188823
  H     13.19807000      9.98163201    -11.89431390
  O     15.45346653     11.00981011    -18.25314542
  H     15.55986699      6.38252104    -10.41841443
  H     14.37146106     13.02318351    -14.91028270
  O     12.49869299      9.45832362    -11.47702994
  H     16.79866049      8.13233283    -15.61241779
  H     13.48005665     13.99837846    -14.10121589
  O     13.64773489     13.07354117    -14.25840006
  H     17.88043067      8.35934691    -16.66060341
  H     13.30415725      8.55888003    -16.92423795
  O     13.64800116      9.45884938    -16.87778969
  H     16.19733125      6.31525600    -16.33433977
  H     12.99904039     10.01468203    -16.41509064
          69
 Energy    -249.73533696226241     
  O     12.08537875     11.32845601    -10.39189820
  H     12.87556416     11.51109126    -10.91582836
  H     16.58327899     11.68817419    -14.41759831
  O     12.89989479      8.22497101    -14.74369993
  H     11.35530666     11.28387047    -11.02246192
  H     15.53319779      8.65718347    -12.83083053
  O     18.29644365      8.48890455    -11.40922620
  H     13.77058126      8.36798814    -14.33973135
  H     16.01098024      9.04029835    -14.24990294
  O     12.22506803     10.79598909    -14.13735080
  H     13.09149191      7.83495389    -15.60685995
  H     11.63678682      9.18469075     -8.08328520
  O     15.28456905      5.19707917    -10.91258373
  H     17.43178029      8.90377786    -11.27822421
  H     11.98226640      9.87868399     -9.42349229
  O     12.22418296      6.65887215    -12.58159029
  H     18.55708950      8.64988261    -12.32242306
  H     18.18114060      5.72997990    -13.06581987
  O     15.65132824      9.36692892    -11.17914112
  H     11.41254480     10.84208635    -13.61977439
  H     17.37382089      5.75583046    -14.38365797
  O     15.57712922      9.71377095    -17.34391199
  H     12.34626109      9.86874031    -14.39365369
  H     10.71622363      8.39909907    -10.42797763
  O     13.86776638      4.40468629    -13.05706136
  H     16.22741661      5.39714450    -10.96140939
  H     10.83617393      7.60184359    -11.74445009
  O     17.19325217     10.17288926    -15.11368758
  H     14.84505857      5.98101817    -10.55859825
  H     20.09735706      8.42471525    -14.35207691
  O     14.17267087      7.18830349    -16.94852161
  H     12.64427000      5.80804813    -12.75568386
  H     18.84436983      7.53095363    -14.20984879
  O     16.11184071     12.47782953    -14.10093189
  H     12.35605907      7.19296121    -13.37842456
  H     14.97606462      5.28915414    -14.31225293
  O     15.45389935      8.42186776    -13.76328869
  H     15.01627017      8.74221765    -10.80002467
  H     15.55420769      6.72315399    -14.39842724
  O     11.86456340      9.01268422     -8.99262152
  H     15.15740435     10.14908914    -11.46118699
  H     18.14908981      6.76620105    -11.16905533
  O     18.25057296      5.91752828    -14.01007604
  H     15.65505967      9.94873759    -18.26551929
  H     18.69580897      5.45523288    -10.55724621
  O     10.29288467      8.25440403    -11.28309381
  H     14.98792497     10.37537664    -16.93756183
  H     14.74682171     12.08586981    -15.44759347
  O     19.15261780      8.45515076    -14.22555333
  H     14.40501960      4.60861618    -12.26877050
  H     13.36558932     11.41367690    -15.48351795
  O     15.57027406      5.85170804    -14.82388032
  H     13.68026577      3.47035283    -13.03152764
  H     13.15590514      7.96369656     -9.78601383
  O     18.03648337      5.79919657    -11.15457147
  H     17.93865306      9.58937032    -14.91496805
  H     13.23506642      7.25566214    -11.16201881
  O     14.13567224     11.61982639    -16.02986109
  H     16.81889550      9.94258866    -15.97526311
  H     13.52194527     11.21527055    -12.90863755
  O     13.76071628      7.51822969    -10.39243036
  H     14.71197596      6.61724069    -16.38476083
  H     14.87548353     11.94480269    -12.78473976
  O     14.20038733     11.48457835    -12.27187969
  H     14.70567588      7.97190573    -17.12964185
  H     10.08173653      9.82411571    -12.01637932
  O     10.06620073     10.74067379    -12.34644374
  H     16.73992455     13.19558415    -14.10808173
  H      9.14977635     10.99546176    -12.40957350
          69
 Energy    -249.73532152432745     
  O     16.60161054     12.37014422    -13.11344299
  H     15.96596536     12.25481765    -12.39756140
  H     12.24331683      9.83396092    -15.89801617
  O     13.40703204      7.57919937    -14.03380918
  H     16.09679932     12.33201448    -13.93780476
  H     15.72338026      8.70705338    -15.23737854
  O     17.68369280      6.57964702    -12.89850798
  H     13.95137812      6.78822812    -14.13016623
  H     15.37198620     10.17567128    -14.82252455
  O     18.24027147      8.87547662    -17.20360264
  H     14.03464290      8.31261019    -14.13423813
  H     14.58978857     12.51024875    -10.24409589
  O     12.30059635     11.52830072    -15.09168685
  H     17.36337012      7.42682750    -12.55255759
  H     14.81178624     11.02135242    -10.58835154
  O     15.36204664      6.61448504     -9.23266376
  H     17.64518715      5.96919110    -12.15200953
  H     14.84378400      4.73899513    -12.96708930
  O     12.65119548      8.20062425    -11.47187083
  H     18.56517890      8.76925074    -16.29129616
  H     15.49790300      4.49307706    -11.59780653
  O     16.80956559      9.06311183    -12.12125402
  H     18.99484647      8.76327412    -17.77558612
  H     12.38867184      9.99728993    -12.08257710
  O     14.07855495      8.66598842    -18.28184347
  H     11.59282351     12.15944423    -15.19291549
  H     13.21359079     11.30052822    -11.99325049
  O     12.91139317      5.62840244    -10.33541057
  H     12.33370046     11.29402770    -14.14617186
  H     18.99099695      9.28544615    -14.08238977
  O     15.94342306      7.40309874    -16.62309924
  H     15.29944978      7.56517050     -9.38330163
  H     18.69922160      7.76307811    -14.10563421
  O     12.32103133      8.94239380    -16.26030092
  H     14.49125518      6.26130307     -9.45624858
  H     16.26237824      5.98064477    -13.92359723
  O     15.49224395      9.27665758    -14.49321374
  H     12.57838479      7.36348696    -10.99795654
  H     15.61494781      6.13015397    -15.30754483
  O     14.70339476     11.90638785    -10.97461209
  H     12.85715304      7.95741823    -12.38800648
  H     17.56507268      4.46374776    -10.02098909
  O     14.65361237      4.45319965    -12.06452697
  H     16.31194290      9.16027018    -12.94990175
  H     16.53660639      5.61681293    -10.08072721
  O     12.50395060     10.86757419    -12.48289180
  H     17.56337769      9.66105177    -12.19250755
  H     16.83061223     10.17739044    -17.55747379
  O     19.01590667      8.49937656    -14.64224153
  H     13.62517089      8.43179505    -19.08672784
  H     15.35684476     10.06415650    -17.99757553
  O     15.48794891      5.71831359    -14.44247950
  H     13.39579986      8.77404698    -17.59486424
  H     14.10775661      8.90597011    -10.61124768
  O     17.07637935      5.01613469    -10.62527938
  H     13.46229049      5.18225991    -11.00396640
  H     15.62887576      9.14974826    -10.84309555
  O     16.02378629     10.69006379    -17.68794201
  H     12.29071416      4.97935672    -10.01520801
  H     19.53308741     11.32759171    -12.58490093
  O     14.90799968      9.26746838    -10.20238810
  H     16.79086156      7.76843011    -16.90944681
  H     18.06060306     11.43515096    -13.04755400
  O     18.80471923     10.81666509    -12.92673026
  H     15.27916515      7.72015971    -17.24922247
  H     14.12729462     11.85913441    -15.40871164
  O     15.09213909     11.88075676    -15.40814369
  H     12.52451463      8.36447948    -15.51364545
  H     15.40878118     11.60150894    -16.28142379
          69
 Energy    -249.73481728868751     
  O     -3.73887184      5.14399268      2.61562434
  H     -4.54087166      4.80394441      3.00501032
  H      0.00714885      7.51156002     -4.52018995
  O      2.16375887      9.73639563      1.58343354
  H     -3.56437382      4.60644307      1.82437524
  H      0.84738870      2.27534576      3.68321139
  O      0.42714326      8.31936161     -1.40756516
  H      1.62356921     10.19758928      0.93012425
  H     -0.09645494      3.42491582      3.25315871
  O      0.61222295      9.83075412      3.81333457
  H      2.17340594      8.80950017      1.30732561
  H      0.17509573      5.27232201     -3.31281820
  O     -1.51260600     10.33126903      1.94271822
  H      0.36545063      9.23427426     -1.10313523
  H     -0.30721623      3.78385065     -3.16668275
  O      1.55008061      7.07609766      0.84167364
  H      0.87970534      7.82020400     -0.71098445
  H     -1.14546789      1.84673537     -2.58488992
  O     -1.95503820      7.20578416     -0.47225304
  H      1.25863833      9.85047973      3.08445603
  H     -2.36719229      2.75911719     -2.87846946
  O     -2.82988742      7.79482170      2.02432204
  H      1.02577393     10.24791934      4.56359143
  H      1.57569759      3.35602739     -1.95028623
  O     -0.68112228      4.78555937     -0.31060552
  H     -0.90012068     10.25449701      2.68549405
  H      1.30438148      2.00842304     -1.27527999
  O     -3.04379099      3.65022199      0.41503776
  H     -2.11881323      9.58374958      2.01555754
  H     -0.70382400      5.61134532      3.53826610
  O     -1.32775400      1.47417579      1.09162761
  H      1.83368382      6.15286610      0.83850958
  H     -2.02620542      4.82787133      3.42717525
  O     -0.31117338      7.03213348     -3.75910838
  H      0.89765494      7.14321200      1.55436368
  H     -4.76476709      3.54692770     -2.71644013
  O      0.47994738      2.71288672      2.91976902
  H     -1.54579059      6.33544605     -0.34351100
  H     -3.61930918      4.56529329     -2.51873904
  O      0.35423683      4.43312463     -2.87681725
  H     -1.24287029      7.76532757     -0.80473058
  H      1.95635939      3.72312584      0.19746100
  O     -1.50947388      2.48004537     -3.21832164
  H     -2.61404965      7.64450083      1.08912008
  H      1.46288810      3.73224607      1.67598791
  O      1.93088795      2.74195024     -1.29220724
  H     -3.27651133      6.99331314      2.32006969
  H     -2.16190889      6.37991556     -3.36999844
  O     -1.10196163      4.74225147      3.68557464
  H     -0.39300673      4.64043582     -1.22227009
  H     -2.81636149      6.58925043     -2.01195789
  O     -3.94481266      3.68731298     -2.25001491
  H      0.09988910      4.65552977      0.23982433
  H      0.06129781      8.08923606      3.42785909
  O      1.76655760      4.29814844      0.95622781
  H     -3.50098391      3.58157546     -0.43189873
  H     -1.14167619      7.49234035      2.65295870
  O     -2.94705067      6.14827948     -2.86270198
  H     -2.16582600      4.00927616      0.20557065
  H     -0.11942423     -0.13388327     -1.34406330
  O     -0.25181664      7.29461604      2.97897307
  H     -2.02870005      2.12376095      0.95756856
  H     -0.62058022      1.00846792     -0.43194558
  O     -0.22207585      0.81323152     -1.29785406
  H     -0.71508352      1.85514440      1.73330972
  H     -0.51078864     10.65914803      0.54084116
  O      0.13789525     10.80525076     -0.17086967
  H     -0.00125453      7.51757707     -2.97653492
  H      0.02106157     11.70393144     -0.46728641
          69
 Energy    -249.73477725564962     
  O     13.51936053     13.05037106     -8.46556878
  H     13.76062486     12.12310941     -8.57686158
  H     16.92682879     12.49445801    -17.71223069
  O     11.00927109     11.02599357    -14.69521930
  H     12.71135523     13.15929613     -8.98148233
  H     13.66820438     15.04411824    -12.10982282
  O     17.99334219     12.09807114    -12.76422200
  H     11.00065218     11.95688159    -14.43004180
  H     13.51326032     13.57116974    -12.55762226
  O     11.45904757     13.01873072    -10.45022706
  H     11.15236674     11.01989235    -15.64985250
  H     11.82285405     13.95559067    -15.61355490
  O     11.94447635     10.26151730    -10.98359533
  H     18.88017741     12.07974096    -12.41123420
  H     12.20001508     13.03190117    -16.78546208
  O     13.11436895      9.77947675    -13.42580946
  H     17.39818299     11.88657025    -12.02514808
  H     13.98488938     11.31236722    -13.19477260
  O     15.23899958     15.98624495    -11.78482379
  H     11.66172861     12.09141570    -10.63553777
  H     15.03416665     12.00629474    -12.27937443
  O      9.52509432     10.52123548    -12.28208333
  H     12.02732482     13.55325271    -11.02572006
  H     17.03121336     10.89320254    -15.64374278
  O     15.00958284     13.48867161    -15.37847422
  H     12.44386127     10.01081175    -11.77479457
  H     17.42874488     10.92590368    -14.14956531
  O     14.23711257     10.17531335    -17.27119983
  H     11.01699298     10.23403751    -11.26023865
  H     11.36140923     11.04256332    -18.22207961
  O     10.88548531     13.74466546    -13.95839172
  H     13.71715508      9.28211486    -13.99124242
  H     12.64698682     10.84934979    -17.38236724
  O     16.44847610     11.96021070    -17.08429215
  H     12.38292033     10.12198083    -13.96196862
  H     13.31807390     10.23941426     -9.83581584
  O     13.01441108     14.36058837    -12.29464151
  H     15.84455689     15.55224483    -12.41240758
  H     14.14291271      9.56955996     -8.71700054
  O     12.45948718     13.84264967    -16.33065193
  H     15.44936043     16.91596769    -11.79846379
  H     15.39842518      7.70863974    -15.07800220
  O     14.43726389     12.14831203    -13.02476586
  H      9.18042997     11.40859045    -12.12555962
  H     15.82688980      9.18666963    -14.90477592
  O     17.11135015     10.34632390    -14.85147408
  H      9.89114842     10.54311196    -13.17598943
  H     16.07102903     12.57226066    -10.40578786
  O     11.76264504     11.25749809    -17.38449281
  H     14.84928969     12.95815793    -14.58398594
  H     15.53433580     11.11562641    -10.31484096
  O     14.12687398     10.32203912     -9.30376658
  H     14.14338084     13.71504155    -15.74689331
  H      8.40748628     13.80935954    -11.31511218
  O     15.05991990      8.59887613    -15.03380940
  H     14.99548787     10.76882475    -17.33694370
  H      9.85458900     13.27470209    -11.21166922
  O     16.09812116     11.69909096    -10.83415366
  H     14.45771134      9.54610232    -16.57442342
  H     16.22981922     14.38557897    -14.29432625
  O      9.07691724     13.32770881    -11.79395640
  H     11.62843829     14.06835671    -13.42748107
  H     17.27393849     13.83617343    -13.30336608
  O     16.80318446     14.63800731    -13.55742039
  H     10.13134604     13.70370149    -13.35867640
  H     15.58058473     14.83329676    -10.28218525
  O     15.79354605     14.11407879     -9.67771563
  H     15.95120923     12.57201635    -16.51205325
  H     14.98744933     13.90394623     -9.18236681
          69
 Energy    -249.73455199078847     
  O     14.12948163      6.73925244    -14.35128155
  H     13.64919323      7.56829452    -14.24228918
  H     15.12651840      6.10502926    -13.05328796
  O     19.15758935     12.92403246    -11.24364456
  H     14.33146212      6.67202270    -15.29246059
  H     22.22206049      7.84454697    -16.11313867
  O     20.34413022      7.23119098    -13.65081470
  H     18.22183430     13.08546773    -11.07276418
  H     21.00837003      7.68967369    -15.16467159
  O     15.80150104      9.29920683    -17.29104219
  H     19.19176997     12.52260169    -12.12377997
  H     18.14773435      9.14735935    -15.20132897
  O     16.95764125     10.51292964     -9.54064702
  H     20.07749291      7.88182316    -12.98907259
  H     16.77803689      8.79071095    -15.81274164
  O     15.70320510      9.60510807    -13.01986825
  H     19.57205402      6.66594624    -13.79141706
  H     15.07661293     11.64155967    -15.07313456
  O     18.89125551     11.34565891    -13.54327123
  H     15.29305016      9.96923612    -16.80842717
  H     13.91096138     10.63471476    -15.16271365
  O     17.86572567      6.07220158    -14.20143437
  H     15.30808180      8.46965952    -17.31290130
  H     16.29896518      8.68671105    -11.67528791
  O     13.13258836      9.36963564    -13.88146621
  H     16.79337278      9.62518368     -9.88211490
  H     16.44807030      7.21248802    -11.28892935
  O     17.23719255      5.67494473    -16.92319714
  H     17.91421804     10.57172693     -9.42168057
  H     19.67163680     11.62435791    -10.18026432
  O     14.77241837      6.69899024    -17.12727252
  H     16.25031694      9.20129064    -13.71075904
  H     20.52547175     10.96975231     -9.06592455
  O     15.72831704      5.77066957    -12.36391639
  H     15.84579625     10.55751992    -13.09476785
  H     18.41261420      8.67343235    -11.57242401
  O     21.28754088      8.01606006    -16.03993905
  H     19.22611020     11.10514968    -14.41714247
  H     19.56239344      9.58582793    -11.08090832
  O     17.32772663      8.67023860    -15.02775915
  H     18.96586718     10.55375412    -12.99177150
  H     16.46142282     12.00329832    -10.34749829
  O     14.53677393     11.13975857    -15.69619831
  H     17.66377919      6.97217874    -14.50467398
  H     15.80298899     13.39412964    -10.20496206
  O     16.72650561      8.09776690    -11.03121574
  H     17.20682158      5.85714562    -13.53186802
  H     18.95277362      8.13189443    -18.22728753
  O     19.80662126     10.80573142     -9.66966022
  H     14.01460382      9.43360311    -13.47289492
  H     19.99900610      7.42460596    -17.35004311
  O     19.23200754      9.10521562    -11.85037831
  H     12.49974433      9.61180401    -13.20950532
  H     17.17601141     11.99941249    -13.66833395
  O     16.30343084     12.84797083    -10.80562607
  H     17.49390824      5.59676834    -15.99606399
  H     16.16245039     12.60166737    -12.66842800
  O     19.26777597      7.26153312    -17.95802873
  H     17.95342760      6.16150888    -17.35692672
  H     19.15361322     10.23998878    -16.82245252
  O     16.24238317     12.23778688    -13.56026196
  H     14.25608475      6.19217181    -17.74806944
  H     20.25455906      9.52689717    -15.99056972
  O     19.55910308     10.19744288    -15.94697473
  H     15.65711056      6.28754940    -17.09415953
  H     18.11984995     10.42045485    -19.21119812
  O     18.20961001      9.92312180    -18.40261687
  H     15.36135063      4.94398158    -12.06108680
  H     17.30874021      9.72966381    -18.09022091
          69
 Energy    -249.73437794842900     
  O     11.87708002     10.08665606    -15.97633008
  H     11.43694613      9.62439597    -15.25306617
  H     19.29970196      9.85196341    -13.15701638
  O     16.13215009      6.69383021    -12.78065416
  H     12.22329313     10.91188070    -15.61740286
  H     14.67771155     10.63578236    -17.36795777
  O     16.37408534     10.92045640    -11.30131448
  H     16.71312809      7.16076883    -12.16478883
  H     15.89700950     11.10252798    -16.53811604
  O     17.16345837     10.31526963    -15.42011428
  H     15.26802029      6.60673228    -12.35394020
  H     15.57873458      8.17149090    -13.67163431
  O     14.12927970      7.03512867    -16.06451520
  H     16.09882310     10.92625520    -10.37558143
  H     14.67203162      8.34861930    -14.89775509
  O     13.10128976      9.29955644     -9.02080257
  H     15.57143480     11.01083208    -11.83564669
  H      9.74347054      8.36645334    -13.87158378
  O     13.60840661      6.76130516    -11.63394873
  H     17.56131256     10.84078371    -14.71460606
  H     11.17212820      7.78111158    -13.99567178
  O     14.15492441     10.98869889    -12.93874591
  H     16.45875711      9.78701565    -15.01229905
  H     16.99525493      7.95385413     -9.51239046
  O     14.09125005      6.60726967     -8.87103499
  H     14.03829223      7.61793316    -16.82698904
  H     16.21023992      8.86910496     -8.56063087
  O     18.82391369      8.13541735    -15.77884444
  H     15.03173648      6.67956704    -16.03456820
  H     12.87023395      6.52425165    -14.82323643
  O     16.69154933      6.19362535    -15.50777234
  H     12.70397012      9.35294288     -9.90073713
  H     12.71807219      6.32784474    -13.28862198
  O     19.55928893      8.92480289    -13.09168405
  H     13.29660813      8.36591647     -8.87390817
  H     18.72615864     12.38721428    -12.97382114
  O     15.08191156     11.40973741    -16.95602935
  H     13.72629516      6.56799048    -10.69549371
  H     17.66187416     11.39730573    -12.45088967
  O     15.16087292      8.84259083    -14.22773832
  H     13.21487715      7.64387083    -11.67880817
  H     17.18069289      9.21588824    -11.24181673
  O     10.66619861      8.60657681    -13.87410878
  H     13.85178244     11.61397297    -13.60732119
  H     18.42489329      8.45826883    -11.77094132
  O     16.44703871      7.94702856     -8.71567532
  H     14.47252921     10.20515720    -13.41921916
  H     15.35845584     11.22693950     -7.92706010
  O     12.22264094      6.43062187    -14.11036477
  H     14.04081752      5.92243769     -8.20996816
  H     14.55107340     10.22873980     -8.79064723
  O     18.31187426     11.54770698    -13.15744877
  H     14.97569059      7.00865036     -8.79410231
  H     12.90275336      9.44269921    -17.22040539
  O     17.65091885      8.37303721    -11.19561449
  H     19.39763485      8.20161002    -16.53887365
  H     13.14532047      9.09455691    -18.70946516
  O     15.42308960     10.65099200     -8.68407849
  H     18.26489913      8.92983385    -15.78123266
  H     11.66151338      9.11991043    -12.37782994
  O     13.57609713      9.14264610    -17.85979180
  H     17.46507695      6.74895788    -15.65553154
  H     12.92507783      9.96705954    -12.08744903
  O     12.33747881      9.29638825    -11.71221708
  H     16.56473379      6.18021872    -14.54820307
  H     13.97479061     12.14770688    -15.82810608
  O     13.31801606     12.44277271    -15.17110699
  H     19.40981337      8.54530201    -13.96597253
  H     13.07414468     13.33393023    -15.40563910
          69
 Energy    -249.73428236009258     
  O     -4.30298003     -0.02092599      3.18470197
  H     -4.62604036      0.36904075      2.35792615
  H     -5.74206348     -2.83037042      1.22464112
  O      0.31857283      2.03226807      2.31570211
  H     -3.91019927      0.70435560      3.68513693
  H     -1.89946747      1.53533539      0.10436654
  O     -1.94699067     -1.26807425      2.48602406
  H     -0.28488600      2.78488496      2.35643577
  H     -2.73704711      2.51638868     -0.80287618
  O     -3.85352668      0.23693009     -2.62722910
  H      0.12182021      1.50004332      3.09708414
  H     -7.51455911      2.80531988      1.25396495
  O     -1.57160534     -1.19712864     -1.68635452
  H     -2.13135474     -1.97818383      1.85411002
  H     -7.68295613      2.08606165     -0.11591854
  O     -4.97526551      1.12661588      0.78421667
  H     -2.80290702     -0.88517904      2.72942832
  H     -4.57170007      3.02453347      4.12016381
  O     -7.77429343      2.53640288      3.05365961
  H     -3.07444875     -0.27286317     -2.37256550
  H     -4.99164518      4.17018996      3.17366522
  O     -8.30016924      0.43368994     -0.73720987
  H     -4.60186694     -0.17810106     -2.17926940
  H     -2.60378077      4.50297878      2.26556561
  O     -2.88520548      2.10762583      4.33028310
  H     -1.15626329     -0.68226713     -0.97435391
  H     -2.15109070      3.25713604      1.49781199
  O     -3.60370688      2.91882456     -2.37568055
  H     -0.85936573     -1.55333050     -2.21307552
  H     -4.40503431      6.35275205      1.97742933
  O     -5.86060538     -0.80868260     -0.95097640
  H     -5.68343835      1.77474869      0.69343266
  H     -4.53157159      5.10760856      1.07134681
  O     -5.45842927     -3.23128821      0.38106653
  H     -4.14294674      1.56117678      0.55401277
  H     -7.00924132     -1.40992770      2.48499373
  O     -2.54569799      2.25347765      0.10563978
  H     -8.40909622      2.90885857      3.66028294
  H     -5.55793340     -1.40308832      3.00087991
  O     -7.21393737      2.80021684      0.33455155
  H     -6.89670286      2.82861449      3.35816190
  H     -0.23082425     -0.22634876      5.05932200
  O     -5.33794559      3.47854213      3.75151737
  H     -7.48365040     -0.06464286     -0.91105463
  H     -1.05211774     -0.36270245      3.75899471
  O     -1.96601459      3.78050902      2.29403127
  H     -8.92902979      0.17621620     -1.40616003
  H     -8.39443295      0.01236498      1.17527855
  O     -4.24141784      5.41373636      1.94890209
  H     -2.55000859      2.70600584      3.64536668
  H     -8.09369368      0.71497277      2.51219949
  O     -6.23327421     -1.97472273      2.61508851
  H     -2.14212441      1.53687834      4.55848237
  H     -2.37946232     -2.44710826     -0.39162246
  O     -0.67800183      0.27971077      4.38547430
  H     -3.30323451      3.28912880     -3.20137013
  H     -3.58402046     -3.06335984      0.36241066
  O     -8.26237866     -0.14866199      2.11610308
  H     -3.75079559      1.96846427     -2.53291999
  H     -1.13520759     -0.31556889      1.15746459
  O     -2.63237220     -2.90856262      0.41563578
  H     -5.75252827     -1.69570491     -0.58591755
  H     -0.16431376      0.87210329      0.99305844
  O     -0.69246576      0.23280602      0.49302836
  H     -5.49456503     -0.18826477     -0.29948695
  H     -4.67437968      4.00492308     -1.14238199
  O     -5.14068929      4.48101186     -0.44712616
  H     -5.85855928     -4.09533986      0.33918573
  H     -5.94908265      3.97979393     -0.26782972
          69
 Energy    -249.73330069417960     
  O     -6.09358812     -2.16401248      5.88947188
  H     -5.34128278     -1.60739216      6.12838445
  H     -3.68407306      1.98348086      1.06111514
  O     -5.58135826     -1.96871508      3.19507666
  H     -6.84563934     -1.82188351      6.38596295
  H     -6.51500045     -0.40942567      3.44426910
  O     -6.22996505      0.23803979      0.21083559
  H     -5.88170511     -2.25673501      4.07163315
  H     -7.49275140      0.68130178      2.88914683
  O     -5.70579053      1.67890454      5.65321487
  H     -6.14138551     -2.33442099      2.50218123
  H     -3.56768773     -0.37953817      5.31002494
  O     -7.07216941      4.90615714      0.21423201
  H     -6.41958501     -0.69976555      0.32089556
  H     -3.08666468     -0.46566672      6.77839122
  O    -10.95980649      0.62865011      1.37251395
  H     -7.00152209      0.70141137      0.57542615
  H     -2.36088944      3.67467166     -0.43929658
  O     -8.36334068     -0.99702914      7.27468088
  H     -6.21493234      1.20325270      4.97511577
  H     -3.56034401      4.08936719      0.44920958
  O     -3.29697762     -0.48431338      3.60510025
  H     -5.03088339      1.06505085      5.96787894
  H     -9.82485592      4.20926977      5.20349478
  O     -5.84565613      2.80336593     -1.02750806
  H     -7.45088822      5.47477960     -0.45091722
  H     -8.90288256      3.60690986      4.12654557
  O     -9.34874895     -0.97271445      4.66212145
  H     -6.70711204      4.13436349     -0.25462622
  H    -10.54826789      0.40047974      4.34492788
  O     -7.17450647     -2.41457422      0.91136182
  H    -11.78522302      0.79076972      0.92541334
  H    -10.57895438      1.94545553      4.32586461
  O     -4.13444299      1.40484053      1.68840655
  H    -11.09639038      0.84725435      2.31336907
  H     -9.56865743     -1.71077407      2.95844988
  O     -7.09306902      0.32547121      3.69182594
  H     -8.65610480     -1.18341198      8.16249587
  H    -10.12398816     -1.09813252      1.66379722
  O     -3.86328619     -0.34686348      6.23897122
  H     -8.32923527     -0.02736916      7.18926295
  H     -8.69286694      2.24229827      6.26175862
  O     -3.20286542      3.37511939     -0.10849615
  H     -3.41921228      0.22682799      2.96452186
  H     -7.26580000      1.79397742      6.60183031
  O     -9.48030754      3.38198071      4.87310698
  H     -3.98889499     -1.12913903      3.39326782
  H     -5.35133506      5.26215246      1.06972432
  O    -11.03893031      1.16157215      4.00327255
  H     -4.90524409      2.96963296     -0.88210521
  H     -4.65313000      4.66172364      2.30246751
  O     -9.58842975     -1.82625252      1.99844669
  H     -5.98669607      1.87777923     -0.79506418
  H     -5.27155611      2.87715480      4.33352728
  O     -8.18928942      1.70007826      6.87782911
  H     -8.55490791     -0.50403648      4.36078954
  H     -4.85900846      2.59799684      2.86773385
  O     -4.48910304      5.16300854      1.49122114
  H     -9.19005606     -1.16222208      5.59331090
  H     -8.24158025      2.35658315      1.84136243
  O     -5.20891225      3.28124543      3.45851062
  H     -7.26146998     -3.19212924      0.36608625
  H     -9.23864743      1.24558223      1.35637856
  O     -8.30620664      1.47607193      1.45071875
  H     -8.06071678     -2.22483972      1.26793886
  H     -6.90875856      3.68644089      3.03890881
  O     -7.79829628      3.90150220      2.71744990
  H     -4.81886836      0.93179592      1.19510221
  H     -7.67533762      4.37530017      1.88444175
          69
 Energy    -249.73297976467080     
  O     16.65220143      9.68394775    -15.81083766
  H     16.04796457      9.14067435    -16.30934396
  H     19.44441983     10.06155355     -9.66141377
  O     21.41774468      9.86549330    -15.41915807
  H     16.80930255      9.22518854    -14.96462709
  H     20.23568492     16.61223788    -10.92925998
  O     19.45979360     13.01024127     -9.86529657
  H     22.22041354      9.55138103    -15.82697213
  H     19.86703331     18.05347014    -11.35679294
  O     15.13810030     12.27273353    -12.01362496
  H     21.65571508     10.65336595    -14.89818713
  H     21.01608241     12.55422741    -10.73159844
  O     20.88801514      9.67851577    -10.57209932
  H     18.79961096     13.21958118    -10.54291670
  H     22.46407723     13.04192614    -10.97457113
  O     16.57009548      9.91954558    -11.20029742
  H     19.17596046     12.17454388     -9.47539621
  H     18.14054649      8.37618474    -13.35755860
  O     19.00255271     11.03475882    -16.37269386
  H     15.25633654     12.20172223    -12.97984287
  H     16.88761968      8.93556792    -12.66408297
  O     20.86306099     14.51776283    -14.84991835
  H     14.22404234     12.49472562    -11.86277949
  H     19.58736596     13.65555173    -18.11464899
  O     20.75724453     15.49416091     -9.69670657
  H     21.40106982     10.47642031    -10.74962521
  H     19.34628741     12.65651972    -16.95759311
  O     21.77502963     12.10144791    -13.88618292
  H     20.63372586      9.32068670    -11.43358065
  H     21.61183360     16.56106413    -12.61208049
  O     15.63156153     12.13049423    -14.65267624
  H     17.21862823     10.14034270    -10.52286889
  H     21.97941869     15.57096715    -13.73262635
  O     18.64805607     10.39967223     -9.21374172
  H     16.05959751     10.71896493    -11.37536482
  H     19.03531498     16.12648683    -12.85692163
  O     20.04082929     17.18002698    -11.69673131
  H     19.77220148     10.50293644    -16.13242423
  H     18.27681940     14.77183852    -12.82936352
  O     21.85668241     12.31102593    -11.14615568
  H     18.20847748     10.48884971    -16.28970225
  H     23.02854324     15.16531740    -11.62067915
  O     17.18951299      8.48831018    -13.46979684
  H     20.09582592     14.81552548    -14.33732596
  H     24.17966851     14.95936175    -10.60626244
  O     19.53583464     13.58821155    -17.16473295
  H     20.52690992     14.28600916    -15.72397735
  H     20.50468058      9.07558402    -13.90106634
  O     22.34199772     16.04058483    -12.97113031
  H     21.66451871     15.24129317     -9.90594212
  H     19.44365592      9.87660781    -13.13599317
  O     18.66253722     15.43694904    -13.41911102
  H     20.26382068     14.66754972     -9.60672594
  H     19.95919475     11.88598900    -13.58757572
  O     23.28980537     14.68739461    -10.81288426
  H     21.90493559     12.16404375    -12.92891901
  H     18.74844414     11.59544301    -14.48805755
  O     19.92669753      9.03569895    -13.13104862
  H     21.57575445     12.98594239    -14.22570532
  H     17.92331883     14.10039184    -16.20253314
  O     19.01670157     11.67229998    -13.56575738
  H     15.92553999     11.32962724    -15.09790840
  H     17.60567839     14.77185440    -14.86019656
  O     17.22036242     14.22409691    -15.55594106
  H     16.13951673     12.86990200    -15.01857265
  H     16.74643306     13.12383960    -11.83453080
  O     17.67591869     13.37130553    -11.90426150
  H     18.56032775      9.90469321     -8.40308222
  H     18.09275048     12.71540508    -12.48683073
          69
 Energy    -249.73286658581668     
  O     -3.26789877      4.02892471      2.98255796
  H     -3.28477194      3.99019902      2.01813183
  H     -5.22665900     -0.68546657      4.59759286
  O     -0.40125303      4.55562760      0.06883498
  H     -3.08139295      3.12575410      3.28557910
  H     -3.39257737      0.70793558     -1.24424443
  O     -0.52992181      0.16889518      3.28526364
  H      0.14262060      5.08578376     -0.50747822
  H     -3.54971885      0.96416960      0.27566528
  O     -4.24449683     -2.29132067     -0.42690029
  H      0.04634973      3.69476701      0.16216518
  H     -6.56572804      2.93087649      2.70430762
  O     -1.84189840     -2.72931262      0.70591785
  H      0.10920334      0.87491363      3.44310456
  H     -6.53985323      3.15639679      1.15055563
  O     -4.60951402      0.79523351      1.65164235
  H     -0.56810468      0.04560151      2.32506495
  H      0.41346296      1.33293667      0.42539700
  O     -5.80118341      3.47114913      4.17909026
  H     -4.95433492     -2.15040836      0.21610097
  H      1.08151491      2.22615643      1.48859215
  O     -8.11789014      0.36511440      0.88976209
  H     -4.38222045     -1.65185802     -1.13409495
  H     -3.00799620      2.87819091     -0.14275602
  O     -2.93188195      1.41216541      3.73901867
  H     -2.70529199     -2.60417974      0.27160517
  H     -2.22008653      4.19295084      0.04073839
  O     -4.57200872     -0.19336981     -2.36213594
  H     -1.55843807     -3.61655380      0.50240390
  H     -6.05570871      4.74609531     -0.78099679
  O     -6.10350794     -1.56993389      1.49788132
  H     -5.32983871      1.43072049      1.74428051
  H     -4.84339482      3.95096922     -0.24937115
  O     -5.18983704     -1.47259266      4.04627329
  H     -5.01024456     -0.08324893      1.63331514
  H     -4.13683458      1.17049466      5.00911569
  O     -2.97153720      1.13144070     -0.48684716
  H     -4.95263053      3.82226637      3.87664223
  H     -4.66554708      0.98886779      6.44977832
  O     -6.81306195      2.54857087      1.84850294
  H     -5.60400287      2.71273893      4.74270172
  H     -1.43725079      4.52012473      3.11480287
  O      0.83768061      2.19082875      0.55525904
  H     -9.06041178      0.37153053      1.03669705
  H     -0.41296478      4.73485915      1.99207189
  O     -3.10189723      3.80784354      0.11644370
  H     -7.75985416      1.15611299      1.32959185
  H      0.54804194      3.22352962      3.32892326
  O     -5.80369927      3.91231258     -0.39112545
  H     -3.48910808      1.08469258      3.01596624
  H      1.87439056      2.70512405      3.93223001
  O     -4.94538548      1.06454313      5.54017684
  H     -2.06600421      0.99703584      3.64618355
  H     -1.78542383     -1.33137896      3.56918721
  O     -0.48938104      4.58610697      2.94256015
  H     -4.65373540     -0.30399546     -3.30538282
  H     -2.32723790     -2.30757946      2.52376801
  O      1.12600352      2.44325027      3.40276252
  H     -5.34907964      0.31554573     -2.06901386
  H     -0.98296729     -1.09236279      0.51597851
  O     -2.50726236     -1.94721679      3.40045768
  H     -6.89786059     -1.04170827      1.35928792
  H     -1.47773071      0.31613288      0.12217482
  O     -0.72984144     -0.16020445      0.51086455
  H     -5.92734656     -1.63476713      2.45148247
  H     -6.37463545      2.18893538     -1.12600423
  O     -6.61997849      1.30006648     -1.40810405
  H     -4.25084156     -1.67220833      3.90606098
  H     -7.18296855      0.93507173     -0.71502356
          69
 Energy    -249.73276385938351     
  O     11.05593658      9.72962028    -13.44940031
  H     11.49103366     10.51207129    -13.09367372
  H     15.45128472      6.33095261    -15.98372370
  O     15.86263608      6.21974567    -14.19922092
  H     11.51768964      9.53185456    -14.27722753
  H     14.37928933     11.81278919    -15.43906155
  O     16.29663247      9.17687322     -9.98660356
  H     15.40050298      5.88156798    -13.41923198
  H     15.37668675     11.79698411    -14.27127736
  O     16.75209628     10.61920128    -13.74615377
  H     16.79330448      6.33371045    -13.97696852
  H     15.11025610      7.86144664    -13.96521462
  O     12.34594995      6.45204074    -16.48627436
  H     15.46175383      9.40695140    -10.41935740
  H     14.00725872      8.85587699    -14.43480666
  O     14.93666630      7.01792385     -8.73284954
  H     16.91199889      9.87920182    -10.23824169
  H      9.61776977      7.28680837    -12.09111939
  O     14.32228290      5.44617372    -12.02069351
  H     17.43871095     10.24603840    -14.31119448
  H     10.70178700      8.23337973    -12.65990078
  O     13.96093779      9.71591584    -11.38228610
  H     16.03424714      9.96752555    -13.74683176
  H     17.20745045      7.77537379    -10.78017652
  O     16.25657110      9.09704316    -17.14162574
  H     12.28691602      6.11823482    -15.57241783
  H     17.22469581      6.23174300    -10.75788833
  O     16.13698186      4.90967704     -9.92307212
  H     11.70936701      5.96153609    -16.99882816
  H     12.89283264      5.42178066    -13.32597462
  O     18.51942441      9.09272479    -15.31835691
  H     15.45228150      7.80066686     -8.97072516
  H     11.56183700      6.20072309    -13.35943460
  O     15.17244037      6.57758675    -16.87681630
  H     14.09320154      7.10349607     -9.19740973
  H     17.99986352     12.08320928    -11.15475142
  O     14.52348028     12.15546530    -14.54876931
  H     13.82021814      6.12997509    -11.55393718
  H     17.43016063     11.01357387    -12.09950063
  O     14.72331094      8.72945032    -13.79977231
  H     14.92387026      5.07535623    -11.36405342
  H     19.24757145      6.17640102    -13.64986396
  O     10.55435980      7.36029312    -12.25249912
  H     14.22052626      9.31115083    -12.22579051
  H     18.30331735      6.97692912    -12.71980933
  O     17.63176495      7.00095347    -11.17218701
  H     13.51254158     10.53774543    -11.60929124
  H     15.00230036     10.25868267    -17.12689155
  O     12.15993474      5.67013309    -13.90095768
  H     15.89567599      8.19680788    -17.12927705
  H     14.16958828     11.27203489    -17.94880438
  O     17.78677286     11.15495331    -11.20813976
  H     17.04162784      9.08400459    -16.58631289
  H     13.16020927      8.22814042    -10.80882285
  O     18.58937458      6.86669334    -13.64646183
  H     15.71173239      5.61245303     -9.39675749
  H     11.95874309      7.28514918    -11.02038193
  O     14.23702330     10.86272328    -17.09080296
  H     16.35968433      4.20910462     -9.31683401
  H     12.41753720     12.79949817    -12.27684084
  O     12.82000166      7.34720154    -10.59066293
  H     19.40692376      9.25075197    -15.63200432
  H     13.31305557     12.04501801    -13.28516361
  O     12.68039574     11.92620594    -12.55439975
  H     18.56303514      8.31311817    -14.74207588
  H     13.08823037      9.68900566    -16.25124332
  O     12.63147162      9.10063315    -15.63677491
  H     14.21428371      6.47251413    -16.87816148
  H     12.51573738      8.23801141    -16.05576360
          69
 Energy    -249.73249503264327     
  O     -1.68672171      3.38545655      2.79006707
  H     -0.84658471      3.03788256      2.46157294
  H      1.20239714      8.79984619      1.53214970
  O     -3.05200924      6.37253289     -0.20547826
  H     -2.26451685      3.42942402      2.01689660
  H      0.98513276      2.34945778      0.72922540
  O      2.96152373      6.11670245      1.01412850
  H     -2.31907134      6.40435624     -0.84117552
  H      1.54251953      3.07986859      1.99539866
  O      2.48275104      8.23023552      2.81206439
  H     -2.70002547      6.74972089      0.61025639
  H     -1.08612342      3.58997821     -2.93280101
  O     -0.82474860      6.29607888     -1.77314376
  H      2.96950108      6.92083886      1.54751654
  H     -1.75626961      4.39536424     -4.06210527
  O      1.22623881      1.75391489     -0.97486769
  H      2.02619816      5.93151705      0.82270197
  H      1.02107957      9.25480528     -2.21816165
  O      0.33459271      5.41684725      0.60022539
  H      2.08119252      7.52776172      3.35514749
  H      0.82385970      8.63481344     -0.81537750
  O     -1.40565786      7.11305903      1.93541940
  H      2.97588583      8.78890703      3.40646497
  H     -3.79236596      2.74749754     -3.66910928
  O     -1.47108133      2.40391032     -1.60674513
  H     -0.78948052      5.68080619     -2.51638929
  H     -2.99187060      1.95824399     -2.61760973
  O     -1.32212571      5.58317618      4.31468036
  H     -0.22754330      7.03707323     -1.93296790
  H      3.09425996      4.71791990      2.12054975
  O     -3.05558074      3.62895907      0.35490145
  H      1.48345749      2.49498072     -1.55535476
  H      3.82007476      3.71891313      3.05260336
  O      0.49952668      8.91233479      0.88081065
  H      1.66357267      0.97620405     -1.31020689
  H     -4.32839691      5.89039337     -1.49681832
  O      0.73415962      2.79743825      1.54780362
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  H     -5.18215483      4.63436098     -1.75114221
  O     -0.91166572      4.25615788     -3.61607339
  H     -0.00266051      5.54073959     -0.29666399
  H     -4.03014026      4.91747341     -3.66128861
  O      0.97978493      8.42338267     -1.75343731
  H     -1.50310036      6.76461928      2.82824180
  H     -4.05340331      4.84863859     -5.20549067
  O     -3.85267576      2.00368956     -3.05682408
  H     -0.77856630      6.51362051      1.49833629
  H      0.97416493      4.01771054     -3.16666469
  O      2.95574279      4.00926945      2.77243944
  H     -0.61761754      2.06809912     -1.31216889
  H      2.16081738      4.65088331     -2.38757013
  O     -4.82839814      5.42357348     -2.17930284
  H     -1.91971501      2.80782039     -0.85049716
  H      0.52600342      5.91170344      4.26598142
  O     -3.59353278      4.52180045     -4.43693758
  H     -1.84991310      5.51591401      5.10552806
  H      1.88699981      5.30389307      3.84394565
  O      1.73622277      3.81103482     -2.61419759
  H     -1.48264442      4.77060683      3.80062384
  H     -4.93072181      2.46589720     -1.74878698
  O      1.46741936      6.10578876      4.17426999
  H     -3.90878952      3.30757208      0.03713666
  H     -6.18681823      2.33474392     -0.85271969
  O     -5.40785312      2.86399680     -0.99845177
  H     -3.04514418      4.58327471      0.19547423
  H      3.10267480      6.18320540     -0.88719052
  O      2.84076171      6.23217154     -1.81515349
  H     -0.26815658      8.46165010      1.25645060
  H      2.29393829      7.02407488     -1.88044055
          69
 Energy    -249.73243581819642     
  O     -9.57738488      1.04572510      3.43545379
  H     -8.74860743      1.40927987      3.78578064
  H     -9.82274263      2.56674935      2.50007599
  O     -6.01119032      0.45968009      6.39610287
  H     -9.34713689      0.17890997      3.07528842
  H     -5.88072529      0.65227245      1.63456507
  O     -7.35083971     -1.78448958      5.33601388
  H     -6.32680389     -0.38213477      6.03979271
  H     -5.86083247     -0.28287315      0.40610489
  O     -7.69715371      4.39408645      5.88668829
  H     -6.53510342      0.64769393      7.18613682
  H    -11.75446965      1.72834264      5.64742996
  O    -13.10958906      2.93866161      5.24926361
  H     -7.23389762     -2.71255001      5.52536153
  H    -10.50727012      1.16032910      4.92094402
  O     -7.25975324      2.03936313      4.47445417
  H     -8.12788250     -1.49334447      5.84746226
  H    -11.21725954      5.97234312      5.46094152
  O     -7.81113876      1.03120529      8.51573585
  H     -8.08534946      4.84682382      5.12327526
  H    -11.43893308      7.38329317      4.86495927
  O     -9.43954430      2.95744944      7.44616264
  H     -6.76155566      4.62995763      5.92857696
  H    -11.43034149      4.02796843      2.60527242
  O    -11.54479272      4.81178363      6.73619832
  H    -12.82180475      3.38708231      4.43338011
  H    -11.88802743      5.17958816      3.52283756
  O     -5.97439549      5.68180620      3.06723555
  H    -14.04674889      2.78674090      5.16422836
  H     -7.67672431     -0.87841684      2.09107132
  O     -5.12644007      1.89959842      2.70382586
  H     -6.85186672      1.46135006      5.13365545
  H     -7.92917720     -1.47627443      3.49904039
  O     -9.75857202      3.41072631      2.03040109
  H     -7.42588043      2.88189443      4.91423357
  H     -9.05920921      4.76204150      3.02182386
  O     -6.44162825      0.11875135      1.04859669
  H     -8.38220691      1.76353706      8.22691486
  H     -9.49901841      5.96543500      3.90508096
  O    -10.91962456      1.26823330      5.79217194
  H     -7.74305539      1.09447235      9.46493964
  H     -4.69179788      4.59415455      0.40197041
  O    -11.07904311      6.52254599      4.66924609
  H     -9.93370040      2.38566798      6.83840230
  H     -5.50930633      4.74364475      1.70736047
  O    -12.17796610      4.34887999      3.12725108
  H     -8.82676406      3.49746127      6.92353625
  H     -8.87947807     -0.28237803      7.57090836
  O     -8.35376073     -1.27201901      2.65701530
  H    -12.16872317      4.18080272      6.35370690
  H    -10.01153537     -0.19268424      6.53305375
  O     -8.72954768      5.47771993      3.58514791
  H    -10.85924531      4.28234465      7.15880605
  H     -4.58648713      1.60340564      5.79707627
  O     -5.26155107      4.11977741      1.00081623
  H     -6.93086892      5.72994986      3.20139228
  H     -4.21108044      2.08078047      4.38270569
  O     -9.34117079     -0.78907828      6.89238350
  H     -5.58252361      5.46106898      3.92002345
  H     -7.40619326      1.79731730      0.49521822
  O     -4.08020073      2.27410868      5.32058886
  H     -5.06944549      2.66523871      2.11655837
  H     -6.88225356      3.24142231      0.47839901
  O     -7.67938971      2.71100482      0.35723054
  H     -5.91234748      2.02488442      3.25945195
  H     -4.60239284      3.93764034      5.54602490
  O     -4.95228520      4.84142295      5.63436854
  H     -9.10783794      3.26063397      1.33031874
  H     -4.30489585      5.33860929      6.12744206
          69
 Energy    -249.73239205841219     
  O     -2.74181447     -0.54220554      3.20587552
  H     -2.98743372     -0.31545163      4.11292916
  H     -2.79541801     -3.76315327      5.54997201
  O     -3.13271630      3.01652744      5.17658280
  H     -2.25703344     -1.38067149      3.22536193
  H     -0.98331246     -2.91000131      9.22713911
  O      1.83520658     -0.39366748      2.23347936
  H     -3.77435392      3.71825516      5.09478275
  H     -0.61983532     -2.94679564      7.72316100
  O      2.78383526      2.20674310      2.80225944
  H     -2.40704030      3.23517029      4.56840305
  H     -0.21606226      0.21160889      6.98221778
  O      1.09985313     -0.92947099     -0.42774723
  H      1.03930434      0.05139123      2.56564630
  H     -1.03153992     -0.67292174      7.96268995
  O     -1.14803094     -2.79171889      3.13363016
  H      1.67741922     -0.60068885      1.30467429
  H      0.64392073     -3.34141986      5.70730720
  O     -1.14090604     -2.20356590      0.37176164
  H      2.63938688      1.28405435      2.55317591
  H     -0.64387186     -4.17151248      5.89449415
  O     -2.84098433      0.11090621      0.56656932
  H      2.13119337      2.71912265      2.31128574
  H     -1.98891358      3.07083080      6.80869466
  O     -0.91100219      3.56212900      3.62410966
  H      0.32490260     -1.47304929     -0.19551877
  H     -1.18616764      2.06773050      7.65107563
  O      0.68253141      3.55311590      1.31784063
  H      1.52082212     -1.34897033     -1.17265089
  H     -2.73147227     -2.46880103      7.31331017
  O      1.28849717     -2.11535661      4.38305780
  H     -0.30887139     -2.56689535      3.55786151
  H     -3.50627650     -1.56883729      6.32864503
  O     -2.34540785     -4.44337381      5.01665524
  H     -1.57871102     -3.45721802      3.68563521
  H     -1.17914124      0.39438066      3.38054630
  O     -1.14712878     -2.47711258      8.39371761
  H     -1.80713872     -1.50613035      0.33769169
  H     -0.51478152      1.79287206      3.52132280
  O     -1.01510461      0.18873489      7.53058193
  H     -1.13186009     -2.52611197      1.28302184
  H      1.48643656      3.53119513      5.77738331
  O      0.10804522     -3.79570817      6.36926491
  H     -2.91069120     -0.05667253      1.52204595
  H      0.10488198      3.72744790      6.46345251
  O     -1.26980343      3.00835187      7.44730991
  H     -3.72862787      0.25213561      0.24713386
  H      2.95319829      2.32950511      4.53297303
  O     -3.37234107     -2.48741142      6.59037329
  H     -0.43749368      3.71448416      2.79778265
  H      3.85793584      2.52408016      5.77347340
  O     -0.33482364      0.84458678      3.49674768
  H     -0.31914715      3.81960777      4.35261428
  H      0.17381005      0.72590444     -0.27717073
  O      0.67506199      4.04970133      5.74920684
  H      0.29387652      2.81817075      0.81030790
  H     -1.25874118      1.09640779      0.14790674
  O      2.96281979      2.33305443      5.50735232
  H      0.89750696      4.23684697      0.68858038
  H     -3.32197751      1.19761341      5.59780594
  O     -0.39159660      1.47260356     -0.04505800
  H      1.26894662     -1.38481994      5.01868568
  H     -2.42820362      0.22710109      6.39768055
  O     -3.18900496      0.26242723      5.79831402
  H      1.66749607     -1.72405064      3.58467348
  H      1.80512560      0.91904928      5.81900396
  O      1.08856588      0.27397475      5.78231250
  H     -2.90142705     -5.21735052      5.02614528
  H      0.55629335      0.50404962      5.00401006
          69
 Energy    -249.73198216107556     
  O     10.70715903      9.34952026     -8.67477312
  H     10.59129586      9.98897412     -9.39809418
  H     13.49489168     12.17872914    -13.79415902
  O     13.87878042      9.14243615    -16.78149989
  H      9.89225075      9.35225941     -8.17783855
  H     16.84225517      8.91828729    -11.05789243
  O     11.47778915      7.45194533    -10.75185322
  H     13.43887593     10.01015230    -16.72356667
  H     16.56879231      9.44238257     -9.62968441
  O     14.49113436      8.55239357    -14.13195615
  H     14.29851570      9.10503938    -17.63659349
  H     15.66107855      7.86064759    -13.00247043
  O     12.48797447     11.46307949    -16.55941737
  H     12.42064534      7.36644793    -10.54834655
  H     16.71261618      6.79852648    -12.60638211
  O     11.86765475      8.41966148    -13.30477968
  H     11.11401886      7.97872713    -10.03216838
  H     12.87151104     15.66535520    -12.12634822
  O     15.55047802      8.75175194     -8.13179434
  H     14.40321109      8.68855700    -15.08409516
  H     12.47637144     14.36998392    -11.38287969
  O     13.44140130     10.41622627    -10.88421620
  H     13.59140284      8.46229331    -13.77923376
  H     14.65939887      7.92710715     -9.50310618
  O     13.26847829     10.03224050     -7.46116725
  H     11.55620180     11.21068777    -16.56277711
  H     14.88464413      7.51030884    -10.98057410
  O     15.38343191     13.90463197    -10.57419551
  H     12.60552781     12.03198795    -15.78737492
  H     17.10786738     11.16497555    -11.28699229
  O     10.75323617     11.03302411    -10.83005193
  H     11.45339099      9.29153909    -13.34240774
  H     17.99683639     12.18468934    -12.03903811
  O     12.72360849     12.71324266    -14.03875308
  H     11.64928935      8.03150848    -12.44572486
  H     11.31117828     11.60423813    -13.72259546
  O     17.02523012      9.64834380    -10.45396938
  H     15.97492707      8.41537597     -7.34723181
  H     10.19989487     10.79603794    -14.44264816
  O     16.22794456      7.55081972    -12.27583014
  H     14.74995293      9.22115846     -7.83460092
  H     13.74595709     11.62738561     -9.55932421
  O     13.02272715     14.72364949    -12.10790358
  H     13.91973369     10.69423222    -11.67497472
  H     14.48311162     12.94811376     -9.29227335
  O     14.20352104      7.70244827    -10.32538908
  H     13.66290391      9.49382802    -10.71258582
  H     15.66739855     11.41228225    -12.86703942
  O     17.08950302     11.94980522    -11.86409292
  H     12.40769475      9.77517514     -7.81097610
  H     14.84689498     10.26829179    -13.58346301
  O     10.61512901     10.94458709    -13.58517606
  H     13.43402782     10.93637963     -7.76716482
  H     10.28546415      9.46543295    -16.22335161
  O     13.85827758     12.32557763     -8.89543939
  H     14.70597500     14.18805524    -11.19961995
  H      9.06463733     10.25846592    -16.75100185
  O     14.80109643     11.15740787    -13.20952439
  H     15.97501338     13.31158943    -11.05184524
  H     11.13717581     12.81496691    -10.31983384
  O      9.86362885     10.34339842    -16.23857542
  H     11.69910853     10.81250392    -10.85902984
  H     12.33970876     13.28135264     -9.49141589
  O     11.63036008     13.60443971    -10.06384620
  H     10.45847994     11.01501624    -11.74889063
  H     12.16999932      8.25106278    -16.39152569
  O     11.30099466      8.04171223    -16.02952309
  H     12.75858838     13.49375090    -13.47290340
  H     11.42762819      7.97759091    -15.07195317
          69
 Energy    -249.73163046108533     
  O     14.53228617      7.32550434     -9.67657274
  H     14.38376271      6.46489878    -10.08564369
  H     12.27619855      7.05894008    -15.92887871
  O     15.73056303      5.60380665    -15.46320750
  H     14.08011606      7.97173969    -10.23634155
  H     17.97265364      7.89499293    -17.10782552
  O     17.87648589     10.33980712    -10.57462421
  H     16.29328814      6.28381090    -15.84662682
  H     17.58399180      8.43932373    -15.71488159
  O     17.80832054      9.48592764    -14.23470253
  H     15.99933308      5.52512344    -14.53599721
  H     17.25674098     11.20517391    -14.45149013
  O     10.45620784     10.93207170    -13.21293236
  H     17.49861179      9.65457284    -10.01015067
  H     17.57873122     12.69235481    -14.72373628
  O     16.31069789      5.70011283    -12.74623270
  H     17.14763125     10.88743202    -10.89796412
  H     15.77647656      7.40888013    -13.02784193
  O     11.31354822      8.21056969    -13.19802174
  H     17.02482400      9.13836990    -13.77816614
  H     14.87671197      8.59991058    -12.56944673
  O     15.90227593     11.90241194    -11.76211819
  H     18.54971800      9.38801776    -13.62288370
  H     13.46137092      5.11696175    -11.74939406
  O     14.17779860     11.53417663    -15.16057786
  H     10.72409799     10.94658312    -14.14994120
  H     13.93240504      4.05242904    -10.72995269
  O     13.03206901      5.32373693    -15.69607371
  H      9.61382126     11.37526468    -13.15931232
  H     11.82797585      6.41018427    -12.92197122
  O     14.75132966      8.91008897    -15.75538289
  H     15.64900534      5.33938394    -12.14323326
  H     12.53260268      5.42070472    -13.87326274
  O     12.17166707      8.01587807    -15.86284168
  H     17.07996827      5.97583385    -12.22416702
  H     20.54118554      9.41229475    -11.93833787
  O     17.27537346      7.89372036    -16.45713284
  H     11.58557787      8.15933210    -14.12619222
  H     19.05045763      9.66383134    -11.59506515
  O     16.87338265     12.09686015    -14.48231940
  H     10.87020214      9.06102223    -13.09440089
  H     18.86987906      7.49165089    -11.64042313
  O     15.54409183      8.32868721    -13.21082773
  H     16.24317908     12.07300748    -12.64798897
  H     17.93277185      7.16038306    -10.46979367
  O     14.16510984      4.89371316    -11.11343902
  H     14.94266594     11.93355302    -11.84500856
  H     11.58087160      9.87361917    -15.96243145
  O     12.30624410      5.57239210    -12.94726159
  H     15.04545608     11.93088694    -15.01912436
  H     12.34298001     11.19361712    -15.69179173
  O     19.65296023      9.19727033    -12.20726313
  H     14.36618997     10.62261290    -15.43073595
  H     17.17292712      7.98220491     -8.13773608
  O     18.33409682      6.78460007    -11.26484078
  H     13.99916576      5.42796478    -15.64693245
  H     16.12397337      7.81245829     -9.25953575
  O     11.45993637     10.80435565    -15.73499836
  H     12.86935429      4.54313278    -16.21925998
  H     12.19396587     11.53375617    -12.61315439
  O     17.04446000      8.07324423     -9.07798494
  H     14.93176536      8.64657820    -14.83804342
  H     13.49451316     11.61321402    -13.43684212
  O     13.15060901     11.62769519    -12.53166823
  H     15.51351047      8.61277063    -16.26276396
  H     12.70415560      8.64093991    -12.08266388
  O     13.43091509      9.02936456    -11.57706120
  H     13.07812748      8.35835013    -15.90097212
  H     13.40298214      9.97699499    -11.76087265
          69
 Energy    -249.73151411147208     
  O      9.62233485      8.04998661    -13.85807899
  H      8.69561620      8.07368755    -13.63634149
  H     14.94455877     11.59289244    -11.97077178
  O     15.46542524      8.58832585    -15.57879326
  H      9.82674266      7.13491982    -14.12120752
  H     16.70837739      7.56139837    -12.89632250
  O     17.08405755     11.79530863    -14.49751104
  H     15.69342096      8.50587724    -14.63713348
  H     15.46682331      8.27939344    -12.23540299
  O     13.27176199     10.06448573    -14.77348809
  H     16.23812136      8.96709471    -16.01279512
  H     11.28408026      5.54000290    -14.07074426
  O     14.41202989      4.34092206    -11.66267510
  H     17.49176481     11.41947898    -13.70499234
  H     10.87973911      5.70249402    -15.53935894
  O     14.33191946      6.06355005    -15.59428320
  H     17.34062003     11.21738145    -15.22517320
  H     17.33688885      6.32267909    -10.07379387
  O     14.26451740      8.61606106    -10.86722500
  H     14.02210473      9.57989347    -15.14667654
  H     18.64210672      5.59984348     -9.65276074
  O     16.20563385      4.66870506    -13.90012377
  H     13.62018042     10.89798057    -14.43413625
  H     11.69952380      6.25946772    -17.96029252
  O     17.88883505     10.30504084    -12.25990533
  H     13.79410486      4.90203350    -12.16414077
  H     11.67332302      7.27650303    -16.79487771
  O     17.88495177      9.75986933    -16.37172149
  H     13.93305253      3.55237207    -11.42067371
  H     18.76835099      8.10727111    -10.07281353
  O     19.21380382      8.65335632    -14.28017551
  H     14.76289810      6.92555182    -15.68907061
  H     19.04219341      9.29463595     -9.13771495
  O     15.30717444     11.15647364    -11.18996211
  H     13.56657773      6.07050675    -16.18300774
  H     17.54565057      5.69292064    -13.34888943
  O     16.09624279      8.30648263    -12.96549180
  H     14.57928295      9.53251948    -10.83859943
  H     18.28118905      6.24279787    -12.07370877
  O     10.51363218      5.59541193    -14.65250913
  H     13.42887591      8.62255928    -11.35155767
  H     15.10316838      7.11907698    -10.18293094
  O     18.30708122      6.32223752    -10.17693205
  H     15.62073449      5.02624922    -14.57985558
  H     15.20191654      5.61308550    -10.53855458
  O     11.91950028      6.36579794    -17.03864383
  H     15.64377568      4.44141854    -13.14943075
  H     15.44871117     12.18468970    -14.05738342
  O     18.94172599      9.06006526    -10.05759801
  H     17.24218267      9.63773245    -12.54228968
  H     14.35978468     13.25612646    -13.81129695
  O     18.11899084      6.39876850    -13.01121639
  H     18.32206527      9.95833149    -11.46654659
  H     13.43816658      6.01476635    -14.02918273
  O     15.63223165      6.32198527    -10.04458311
  H     18.43359493      9.82860357    -17.14809032
  H     12.67238528      6.87195704    -12.98006361
  O     14.54492374     12.32488604    -13.72102530
  H     18.42019344      9.31809987    -15.68755127
  H     11.21578170      8.49240977    -12.93906653
  O     12.91328568      5.96687728    -13.21639821
  H     18.94763001      7.79091957    -13.93137521
  H     12.55447452      9.13160827    -13.38489587
  O     12.14344769      8.59225184    -12.69306637
  H     19.05258649      9.27794899    -13.56468206
  H     10.53493165      8.69071769    -15.44741101
  O     11.17019235      8.82952764    -16.16008034
  H     16.24439453     11.03575931    -11.37947399
  H     11.87355673      9.37352595    -15.78043095
          69
 Energy    -249.73107473453214     
  O     14.08107963      9.77051779    -10.69403671
  H     13.93833936     10.30896727    -11.48373816
  H     17.74342585      4.83429998    -10.69383055
  O     13.78381278     10.62240861    -16.72119324
  H     13.39238138      9.08789922    -10.66379416
  H     12.10103347      7.31651787    -11.62402125
  O     16.79140756     10.97983629    -13.35750134
  H     13.40679821      9.93334652    -16.15920207
  H     13.04844444      6.89905940    -10.48623046
  O     13.91901161      4.93081668    -13.00796031
  H     13.63390526     11.45440026    -16.25519012
  H     18.58905860      7.81582968    -14.80558835
  O     16.23072206      6.87726422     -8.41922728
  H     17.19830850     10.87926126    -12.48529757
  H     19.80731246      6.87012531    -14.90030565
  O     16.45713028     12.79451052    -15.47252565
  H     15.83405917     10.91623435    -13.24754211
  H     14.73525540     13.03853635    -15.22912589
  O     15.72976697      7.87521037    -11.97773295
  H     14.09937195      5.03733551    -12.06432713
  H     13.42983754     13.86823136    -15.14562793
  O     13.95822074     10.89746771    -13.19997001
  H     14.77864411      4.83842259    -13.43023216
  H     12.46675760      8.10899445    -14.32052645
  O     18.47179192      7.75443102    -11.72798952
  H     16.21373617      7.83931058     -8.49442017
  H     13.90750486      8.27127853    -14.83285872
  O     17.92318663     10.40522486    -10.91590019
  H     17.11851101      6.60289691     -8.68098150
  H     16.50364605     10.67872406    -18.34915735
  O     16.76546033      5.21201908    -13.90733978
  H     16.57197556     12.18514326    -16.21131060
  H     15.46315185     10.57481141    -17.20981642
  O     17.07576807      4.44382724    -11.27002698
  H     16.72697921     12.30062429    -14.68495698
  H     11.01503539      6.10281563    -13.58515706
  O     12.43321083      7.59018018    -10.76055658
  H     15.53528657      7.80933132    -12.92031664
  H     12.53616114      5.98627381    -13.34072683
  O     18.99317764      7.01760588    -14.42502804
  H     15.20328439      8.59200627    -11.60348596
  H     15.05611248      6.49312421    -11.05053269
  O     13.77414333     12.98204560    -15.07998577
  H     13.59683256     10.15092852    -13.69965088
  H     15.09776679      6.07027486     -9.57807314
  O     13.06602473      8.74405872    -14.72850435
  H     13.79584033     11.68852727    -13.72798913
  H     18.73929655      6.70930379    -10.32422813
  O     16.41687164     10.63101419    -17.40089304
  H     17.50209902      7.78030299    -11.77862106
  H     19.62252666      6.04843370     -9.23914290
  O     11.79537268      6.61589454    -13.39006509
  H     18.78296569      7.49161089    -12.60102774
  H     15.85012013      6.63982191    -14.55829050
  O     14.70162971      5.83406110    -10.43028854
  H     17.36886809     10.24403024    -10.14313446
  H     16.19998482      8.08581615    -15.03474218
  O     18.73520459      6.07428912     -9.58753303
  H     18.30376100      9.54733849    -11.14589869
  H     15.86704268     10.30835144     -8.07632786
  O     15.47719210      7.51124489    -14.75033245
  H     17.57970666      5.66210182    -14.16140827
  H     15.30586063      9.80914547     -9.42587504
  O     16.06242096      9.74007454     -8.81803907
  H     16.92316973      4.88706508    -13.00676938
  H     17.30487478      9.65289466    -16.11844657
  O     17.60003893      9.21769391    -15.30830154
  H     16.23352668      4.70543605    -10.87957976
  H     17.39997077      9.82334232    -14.57739955
          69
 Energy    -249.73063678248900     
  O     16.13712300     10.62611090    -13.60528920
  H     16.67795127      9.85473248    -13.39450857
  H     11.88063646      7.06192682    -13.47905286
  O     17.87620947      7.50266228     -8.62503472
  H     16.33179233     11.26482852    -12.90921255
  H     13.53486839     12.24460860    -11.31461314
  O     15.04928414      5.32324666    -10.77875695
  H     18.60233769      7.62165264     -8.01730019
  H     13.81085866     12.47759990     -9.81157604
  O     12.32566504      5.97160145     -8.43577205
  H     17.70791221      8.36947849     -9.02938361
  H     13.18068716      8.68236886    -14.84298696
  O     17.83332600      6.01349540    -11.10458879
  H     14.16409144      4.95590891    -10.89223552
  H     13.79877163      7.52159026    -14.06460091
  O     17.43767358      8.46096340    -12.33929055
  H     15.04061010      5.81581282     -9.94487774
  H     14.79767692      7.76272453     -8.48280984
  O     16.73939549     12.24951283    -11.31348193
  H     12.29284870      5.46430063     -9.25617778
  H     16.05481394      6.90299282     -8.31842131
  O     10.70663595     11.01072481     -9.09875943
  H     13.25841262      6.14742904     -8.26456939
  H     12.73577849     11.07028257    -13.30974888
  O     17.06697594      9.85121779     -9.89224170
  H     16.97687192      5.56963945    -11.06894703
  H     11.48026419     11.24949349    -12.36389900
  O     13.01083320      8.85059436    -11.16678306
  H     17.96296197      6.39149989    -10.22585407
  H      9.85314198      7.77147544    -12.06623376
  O     11.02755445      8.25880096     -9.24147554
  H     17.34994905      8.96232361    -11.51702564
  H      9.73268126      8.24803465    -10.61446102
  O     11.48480779      6.88056427    -12.61359299
  H     17.71951802      7.57275578    -12.07475166
  H      9.52893185     10.10026190    -11.78533087
  O     14.15749778     12.64834550    -10.69489148
  H     17.19465661     13.08581353    -11.35987024
  H      8.90856990     11.47836196    -12.11359733
  O     13.07531796      7.74039717    -14.67054942
  H     15.81418616     12.44316850    -11.07387776
  H     12.20498159     11.59505329     -8.47816920
  O     15.09673340      6.84455211     -8.41473377
  H     10.70296769     10.05040255     -8.97415388
  H     12.98887793     12.32739972     -7.36311345
  O     12.44556506     11.23632297    -12.40274250
  H     10.33197219     11.16542580     -9.97207835
  H     11.96370466      5.41821672    -11.65112237
  O      9.36801165      8.38408746    -11.50051431
  H     17.09879006     10.71966879    -10.31342880
  H     11.82052423      3.92878890    -11.27227402
  O      9.71983034     11.05317566    -11.84858060
  H     16.17099226      9.76259136     -9.53459202
  H     13.77366816     11.00924980    -15.65272531
  O     13.09818362     11.84061332     -8.17531673
  H     13.69660102      8.38875791    -11.67333757
  H     14.58315044     10.57951068    -14.40886447
  O     12.29980688      4.72607828    -11.05905070
  H     12.82258186      9.69508366    -11.60012742
  H     13.98922126      9.31684638     -9.72894452
  O     13.69269049     10.57951052    -14.80497020
  H     11.34934836      7.45803336     -8.80586547
  H     14.06448455     10.29010394     -8.52857710
  O     14.48746447      9.51868298     -8.92426645
  H     11.72182965      8.49896396     -9.87094288
  H     15.75887928      7.82687423    -12.56652318
  O     14.87938146      7.42993424    -12.55299173
  H     11.86305301      7.55571500    -12.03509167
  H     14.94235053      6.63196155    -12.01113367
          69
 Energy    -249.73046901912494     
  O     17.89743068     11.41623711    -15.58530437
  H     17.56323685     11.08142522    -16.42639666
  H     18.42341163      4.47269625    -14.21147648
  O     14.86445321      6.25959383    -14.05929841
  H     17.13683823     11.54766962    -15.00704757
  H     18.01273368      8.62604593    -17.85974724
  O     18.52063671      6.58134240    -11.72953832
  H     15.31656559      5.74819153    -13.37520558
  H     17.78464962      7.09385275    -18.02804750
  O     16.52075673      5.94297714    -18.47055888
  H     15.55128393      6.72402146    -14.55928916
  H     15.95885479      8.35157704    -15.83130962
  O     13.76922623      6.84227266    -18.11940381
  H     19.14754295      6.09162050    -12.27528734
  H     17.32006034      7.67035029    -16.07056019
  O     13.91689214      8.16123001    -12.31196998
  H     18.35012665      7.39555981    -12.22822697
  H     15.53381741     12.67846589    -13.38071906
  O     18.02544809      8.82163606    -13.22238516
  H     16.52344319      5.14647227    -17.92350550
  H     15.85107333     11.23494472    -12.93430622
  O     16.38148095      3.67366231    -16.75104916
  H     15.61270221      6.26538499    -18.46407621
  H     16.64926125      8.71001252    -10.28418953
  O     14.56663137      6.41582885    -10.11437511
  H     13.06190469      6.68412046    -18.73875707
  H     17.54532854      7.44958199    -10.28258350
  O     20.22435895      7.46761498    -15.57573402
  H     13.71655057      6.13725679    -17.44861582
  H     14.27731163     10.67699492    -14.29088943
  O     13.86160673      4.89857689    -16.25756327
  H     14.17485560      7.52820551    -13.00005759
  H     13.55138148      9.42137204    -13.76609666
  O     17.57313069      4.03357233    -14.33664596
  H     13.91183264      7.64497525    -11.49781631
  H     20.09850339      6.13862908    -14.45551358
  O     18.36086312      7.75963297    -17.61913156
  H     18.79251773      9.30034332    -13.55693253
  H     20.85732154      4.94052611    -13.84484988
  O     16.66087793      7.85476712    -15.39069663
  H     17.54055918      8.48954299    -13.99332385
  H     15.60186993      5.29158940    -11.31354259
  O     15.71927198     11.80239356    -13.71204122
  H     16.57342867      2.77637085    -17.01138131
  H     17.02896761      5.53467586    -11.85315922
  O     16.83435056      7.89391810     -9.80311751
  H     16.81611496      3.80926716    -15.89088415
  H     16.78040020     10.70386126    -18.83091682
  O     13.65043913      9.98651086    -14.54112636
  H     14.16579278      6.16652126     -9.28586026
  H     16.09894970      9.91413233    -17.68828749
  O     20.02334048      5.40280395    -13.82210794
  H     15.36121966      6.93533403     -9.89625919
  H     15.27564959      9.33640287    -11.90939553
  O     16.22775946      5.00657190    -11.98979334
  H     19.69547628      7.50412263    -16.38476554
  H     16.78190323      9.54900246    -12.23742425
  O     16.95376924     10.25052974    -18.00964746
  H     20.28479226      8.37747570    -15.26275315
  H     20.75026720     10.78529680    -14.37571694
  O     16.03568857      9.90959338    -11.73046994
  H     14.63672595      4.35475110    -16.44688126
  H     19.33173533     10.65843440    -14.98289162
  O     20.06112391     10.15742361    -14.57377063
  H     14.06025673      5.33693821    -15.41782632
  H     14.28752648      8.40077243    -17.31823994
  O     14.71298592      9.16557691    -16.90889532
  H     17.08028207      4.16497627    -13.51853796
  H     14.19530855      9.45115952    -16.14094736
          69
 Energy    -249.73043623176690     
  O     19.28187297     10.04461195    -11.85464861
  H     20.04362773     10.52674484    -12.19532289
  H     18.13396272     15.01559842    -14.07532878
  O     13.93097809     14.80637621    -12.74713452
  H     18.64283043     10.71217755    -11.57091979
  H     14.45102645      9.94542084    -14.99333325
  O     19.60748217     13.72034768    -11.68619532
  H     13.30478811     15.52391029    -12.70478024
  H     14.61362883     10.13184908    -13.44624369
  O     17.76645711     12.53349747    -17.91646324
  H     13.60581618     14.18419918    -13.42486385
  H     17.12686165     12.00268467    -12.41227515
  O     20.54203299     12.89799611    -15.18307300
  H     20.28252973     13.06420598    -11.89638311
  H     16.55818427     12.48064768    -11.04860335
  O     15.55068337      9.59383505    -11.99747599
  H     18.81143925     13.21854587    -11.47349735
  H     13.13922114     13.68558619    -18.09684989
  O     17.45232257      8.46537178    -15.41628170
  H     18.65793817     12.85292954    -18.09970318
  H     14.24158606     12.69071117    -17.66402686
  O     21.36878972     11.73128632    -12.82518373
  H     17.27300189     13.29436340    -17.57479965
  H     18.39644002      8.65732166    -12.37678629
  O     20.36487806     13.72818542    -17.89476405
  H     20.02539509     13.62486450    -14.80203334
  H     18.06986705      7.15423081    -12.21084810
  O     13.18934367     13.07824246    -14.66254193
  H     20.66027876     13.10805329    -16.11703411
  H     15.42263888     14.46836874    -17.21071880
  O     18.60677361     10.97030836    -15.79964274
  H     16.02785485     10.33862948    -11.61820464
  H     16.29431164     14.80382236    -15.98722650
  O     19.10163511     15.00988342    -14.06440363
  H     16.22824151      8.93786957    -12.20760986
  H     14.29251039     12.98760071    -10.10397114
  O     14.30685065     10.55776281    -14.26125198
  H     17.58045271      8.22024150    -14.49194950
  H     14.63084876     13.84474127    -11.33180179
  O     17.28544054     11.98790506    -11.45509222
  H     17.97873958      9.26332154    -15.56345109
  H     16.44935208     13.76178977    -14.18967987
  O     13.79877952     13.52609512    -17.42677017
  H     22.31842505     11.67857595    -12.74835484
  H     15.57659243     14.93013726    -13.66822656
  O     17.78927249      7.94846380    -12.65752203
  H     21.18092276     12.11157586    -13.69880690
  H     14.64326983      8.13732434    -16.79497608
  O     16.31199678     14.74004344    -16.95374859
  H     20.97598156     14.00152108    -18.57330903
  H     15.90441068      8.71055533    -16.10307126
  O     15.02321024     13.30165647    -10.63248763
  H     19.92310130     14.53492585    -17.56965305
  H     17.33985840     11.61619087    -14.69121688
  O     16.35640311     14.72905449    -14.19540089
  H     13.35170245     13.25678076    -15.59611599
  H     15.84701725     11.53539541    -14.23684551
  O     15.02444362      8.94149317    -16.45297908
  H     13.45808885     12.16192688    -14.50718148
  H     19.10137010     15.70357914    -15.84776156
  O     16.66893932     12.03301013    -14.13713938
  H     18.26869408     11.41377705    -16.59126786
  H     18.03656263     15.60656319    -16.96303158
  O     18.97486529     15.77201206    -16.80378409
  H     19.35402885     11.50279920    -15.50154576
  H     15.17815679     10.47569263    -17.54010456
  O     15.20267735     11.30300046    -18.03563698
  H     19.34682124     14.72046090    -13.17325402
  H     16.12908019     11.55823662    -18.12706272
          69
 Energy    -249.73019281517836     
  O     15.69607929      9.36395860    -16.51854652
  H     15.49394682      9.92355817    -17.26509987
  H     16.55836631      2.85160793    -17.62603677
  O     13.91679311      2.85093418    -15.93601216
  H     16.48810031      8.85599153    -16.75915505
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  H     18.89473495      6.41162732    -17.69555835
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  H     19.51856928      6.39681741    -12.98033559
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  H     16.60561601      6.93057059    -14.00394816
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  H     16.14761218      3.58926167    -12.75745416
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  H     16.31756276      4.66246228     -9.52371896
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  H     13.81996370      3.41556863    -11.69299186
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  H     20.48833104      9.56611242    -14.93954275
  H     13.64635576      6.53322757    -12.08129565
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  H     19.83109460      8.25338675    -14.45158570
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  H     16.57311396      9.95047647    -14.89947854
          69
 Energy    -249.72915144385723     
  O      1.86193656     11.65725798      1.20158518
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  H      4.45968034      9.41663433     -1.01988944
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  O     -1.38150654     11.45149019      2.95674571
  H     -0.09985668     16.20376731      0.47745908
  H     -1.55009734      9.12364319      0.72620303
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  H      3.13189280      8.56480325     -2.54204501
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  O     -2.07090100     13.43073968     -3.11316523
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  H     -1.60984690      9.17219901     -1.45234035
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  H      0.44356880     14.95989748      2.71179540
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  H     -4.00870211     13.01541109      2.35377828
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  H      4.82149587      7.96040514     -0.64191432
  H      1.28736395     13.17272147      3.67740721
          69
 Energy    -249.72857132725034     
  O     13.22151955     13.18001715    -14.95844414
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  H     13.29162694     10.48787433    -10.76384599
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  H     15.77546593     14.56976994    -17.00760297
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  H     14.08068067      9.40942382    -13.89382225
          69
 Energy    -249.72839467511682     
  O     11.90155391      2.87386764    -13.48499829
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  H      9.69483267      9.66330391    -12.60160387
  H      9.96746174      7.69578321     -8.18703157
          69
 Energy    -249.72810040242348     
  O     -3.00538771      0.70517900      0.70906984
  H     -2.65347924      0.05889616      0.08062310
  H      0.83877270     -6.85874856      1.37232672
  O     -3.34349120     -1.69156991      7.10498485
  H     -2.24481151      1.21290064      1.01348350
  H      1.03389855      0.97437074      2.30481227
  O     -0.68600912      1.88586248      2.05529919
  H     -3.98668215     -1.33298999      6.48055251
  H      1.94367775     -0.21134664      1.90968568
  O     -4.10837928     -0.84077951      2.69878662
  H     -2.47239401     -1.37776472      6.82869033
  H     -1.18141193     -1.65614359      1.04847756
  O      1.81806677     -0.60079278      5.13943699
  H     -1.04128601      1.30947965      2.75581359
  H     -0.97318245     -1.19220303      2.52499270
  O     -3.31433361     -4.38788276      6.79935963
  H     -0.74376345      2.78046302      2.38413135
  H     -0.98300554     -3.51539874      2.43955531
  O     -0.77499848     -1.27034981      5.98267523
  H     -3.99690742     -1.76447254      2.43711086
  H     -0.72651726     -5.04223896      2.28705179
  O      1.84198493     -3.45037468      4.66404071
  H     -3.85625816     -0.27500470      1.95339992
  H      0.95061922     -1.78840370      1.25320186
  O     -5.11539583     -3.82798351      4.62691113
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  H     -2.57111530     -0.27997823      3.50917459
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  H      1.89904994     -2.50329787      4.83596022
  H     -2.42706191     -2.22409386     -0.70991136
  O     -3.85438969     -3.61879028      2.20553909
  H     -4.53997321     -4.15854049      5.32773719
  H     -1.05755383     -1.61907063     -1.13810817
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  H     -3.61254109     -3.79447126      0.45958950
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  H      2.22681814     -3.96649640      2.98240452
  H     -4.09037123     -4.16310508     -0.96210678
  O     -1.87553152     -1.43196392     -0.65993893
  H      2.32947784     -3.34537753      1.56785145
  H     -6.08638326     -0.43619786      5.22159212
  O     -3.34027920     -3.83421988     -0.47264893
  H     -0.22793799     -5.17319797     -0.24002842
  H     -4.95456657     -0.85222526      4.25631513
  O     -5.31466943     -0.99233356      5.14814645
  H     -1.53612109     -4.52907936     -0.76646713
  H     -1.64847634     -4.26934935      5.93396869
  O     -0.86759158     -3.99299608      5.43967035
  H      1.21938013     -5.36429084      1.52944694
  H     -1.04077492     -4.19699024      4.50894961
          69
 Energy    -249.72789780902045     
  O     18.24671296      9.83853289    -14.09632960
  H     17.89621874     10.21616374    -13.28173075
  H     15.42961653      5.73196820    -12.17666610
  O     15.89176352      3.77956091    -14.62206089
  H     18.54784125      8.95055987    -13.86822012
  H     12.59809596      9.21813801    -12.64543342
  O     12.30576458      8.17305751    -14.06075357
  H     16.05865880      2.86925296    -14.85186129
  H     13.45860416     10.47117058    -12.46251072
  O     11.67814573      8.31844621     -9.94185705
  H     15.06105610      4.03101975    -15.06852534
  H     15.39298271      8.04034526    -15.17932422
  O     13.53617607      4.53877176    -15.66373042
  H     12.20521802      7.21909793    -13.93747576
  H     14.12105514      8.15268787    -14.27331324
  O     17.23061873     10.22608623    -16.61248996
  H     12.13837901      8.41533283    -14.98004256
  H     19.49396338      6.84390439    -12.62631316
  O     17.71384612      5.80549959    -15.49556331
  H     11.99008117      8.96034197    -10.59327305
  H     17.98298355      7.16244728    -12.73548586
  O     14.08395922      7.57054407     -8.51036683
  H     12.41931771      8.16647861     -9.34361525
  H     13.05686514      9.81134430    -16.61251517
  O     16.16418806      7.63220543    -16.78917058
  H     12.93347949      4.78697897    -14.95383714
  H     11.64898259      9.62711502    -17.21932284
  O     10.96971366      5.84085074    -10.83208948
  H     13.51459965      5.26055461    -16.31017022
  H     14.46571218     11.18541398    -15.43867333
  O     13.58184540      5.24501131     -9.80231267
  H     17.59249758     10.12637021    -15.71458732
  H     15.33813556     10.70975009    -16.59732557
  O     14.89169470      4.93259411    -12.26522542
  H     17.89474274     10.68174216    -17.12341136
  H     13.21131447      5.34230568    -12.94610818
  O     12.92946060      9.83063996    -11.97020393
  H     17.15009787      5.09619667    -15.16123918
  H     11.74596056      5.56445913    -12.51025798
  O     15.07721397      8.28435743    -14.30040851
  H     18.17483687      6.18330351    -14.73797842
  H     13.08643776      7.52837766    -17.22875257
  O     18.82461605      7.16778465    -13.22370868
  H     13.96527439      6.70321545     -8.93892179
  H     14.52821314      7.00431453    -17.29186257
  O     12.30480675      9.19705093    -16.67657807
  H     14.16368854      7.40615586     -7.57479034
  H     15.62107477     11.21099327    -13.02592227
  O     14.42476732     10.91576386    -16.36585974
  H     16.78348380      6.97676589    -16.43109298
  H     15.01820006     10.08146185    -13.88381305
  O     12.32287950      5.52849176    -13.28328158
  H     16.62650123      8.47373481    -16.87536332
  H     15.92677345      7.61878008    -12.96016973
  O     13.60279469      6.72312221    -17.33861324
  H     10.09534037      5.61494083    -10.52630701
  H     16.01773058      7.87849966    -11.43934139
  O     14.87551594     10.99880838    -13.59718312
  H     11.14047706      6.75510731    -10.54399034
  H     17.36070420     11.58378870    -11.10972798
  O     16.33229580      7.29365701    -12.13788121
  H     12.66200362      5.29562060    -10.09029293
  H     16.44079897     10.34672343    -11.18116438
  O     17.00466150     10.93351828    -11.71078290
  H     14.09015198      4.99829777    -10.58640867
  H     14.41629570      9.39727738    -10.97248911
  O     15.21238900      9.20831381    -10.45371763
  H     15.27387839      4.42783450    -12.99392516
  H     14.92254360      8.70439763     -9.68234039
          69
 Energy    -249.72629482734376     
  O     14.71982898     12.35037822    -11.90795270
  H     15.60745659     11.97697422    -11.95375025
  H     11.68579514     10.96604905     -9.85237694
  O     18.38299370      8.52772429     -8.91762340
  H     14.54844906     12.48865808    -10.96771503
  H     14.34888702      9.46038058    -14.48517035
  O     16.71535613      6.76335033    -12.23133656
  H     17.75177872      9.24776687     -8.79998941
  H     13.13251520     10.38812519    -14.61872676
  O     17.78006093      5.90351187     -8.34551025
  H     18.63540435      8.54642794     -9.84886134
  H     18.13665701      7.83154345    -11.95906754
  O     17.10954961     10.79390865    -11.61589358
  H     16.35944503      6.52979423    -11.36280779
  H     19.59991568      8.25044353    -12.21951473
  O     14.34643239     12.53570923     -9.08929098
  H     16.18018237      6.27930758    -12.87793270
  H     16.25623671      5.81338604     -9.28082762
  O     10.91682158      7.05903104     -9.73162764
  H     18.03108344      6.83422515     -8.47328900
  H     15.11976797      6.84946248     -9.39923315
  O     16.24806729     10.44260410     -8.98471849
  H     18.35982921      5.56380625     -7.66986348
  H     10.63978046      9.78212609    -11.83888022
  O     13.45347440      8.68720972    -11.45952775
  H     17.83392866     10.16802418    -11.73922096
  H     11.57527418     10.95385681    -12.33447967
  O     13.11476148      5.96767916    -11.31395218
  H     16.82707926     10.68873859    -10.69458957
  H     11.65640130      6.58501274    -14.10426347
  O     12.86258321      7.02456362    -15.44238235
  H     13.50747012     12.04748257     -9.00338480
  H     11.72574235      6.01057734    -12.67368121
  O     12.03455727     11.14960350     -8.96904378
  H     14.24834984     13.34086746     -8.58815581
  H     10.12666402      7.58543509    -12.58700170
  O     13.53640049      9.59926569    -14.99493692
  H     11.59737293      6.52612178    -10.15856473
  H      8.71212865      8.10619671    -12.23702917
  O     18.80501696      8.50868972    -11.75961165
  H     10.40500881      7.46061079    -10.44365353
  H     11.45515957      8.03353708     -8.38562642
  O     15.47484058      6.04448767     -9.80356313
  H     15.70249686     11.23420346     -8.90120768
  H     11.45236715      8.32027333     -6.86525332
  O     11.29161890     10.44121804    -11.56626725
  H     15.63681059      9.69715402     -8.88563963
  H     14.15366034      5.57968241    -12.95690876
  O     11.12055255      6.38242585    -13.32600165
  H     14.12464756      8.93483773    -12.10719722
  H     14.17698289      6.09010303    -14.40337734
  O      9.63857444      8.23998860    -12.05522823
  H     12.72372174      9.31524375    -11.51288651
  H     13.37953049     12.07907622    -12.99531959
  O     11.83975745      8.59744973     -7.69097770
  H     13.18306769      6.92828142    -11.45317456
  H     12.39577893     12.72512633    -13.99656812
  O     14.72034209      5.65815963    -13.73337723
  H     13.86434678      5.73762890    -10.74838716
  H     14.04998634      8.59607903     -9.79635798
  O     12.60352002     11.90378615    -13.55842580
  H     13.05932895      7.97047112    -15.32073903
  H     13.59759747      8.46125875     -8.32325445
  O     14.37189408      8.42660571     -8.89633359
  H     12.77924170      6.87990487    -16.38117915
  H     16.07593752      9.79884420    -12.71790586
  O     15.56593910      9.13298995    -13.19739404
  H     11.91619152     10.34024802     -8.45891685
  H     15.94387116      8.27719773    -12.95701227
          69
 Energy    -249.72592361530678     
  O     17.09350437     10.71367886    -16.35516796
  H     16.89391587     10.13259524    -17.08539077
  H     16.18769197     12.39234603    -15.99198998
  O     17.75004394     15.11250910    -16.60843958
  H     17.99615352     11.04128716    -16.49574054
  H     18.53310030     11.85840801     -9.90379943
  O     21.80781343     10.78715380    -14.96173006
  H     18.56069572     14.89138984    -17.07809227
  H     17.46843312     11.91949038     -8.78384409
  O     18.71445576     14.76327756    -10.44925887
  H     18.01159935     15.76057084    -15.94147597
  H     19.87250204     18.14800028    -11.87704498
  O     14.89497054     13.76865053    -13.27934631
  H     22.69692190     10.46190021    -15.07671838
  H     19.70942815     19.51077503    -12.59226109
  O     20.09419592     11.33197496    -10.40595348
  H     21.87344694     11.60564502    -14.43678035
  H     21.90719145     14.60832009    -10.78823914
  O     16.02398269     11.54075563    -11.86880494
  H     18.32384625     13.98751813    -10.02867938
  H     20.42262851     14.16957102    -10.79433844
  O     19.61819511     11.88359826    -16.31988802
  H     18.23245925     14.87959270    -11.28127496
  H     17.00586185     10.59251838    -12.97177351
  O     21.14806801     15.35216812    -15.11167226
  H     13.98708976     14.05251553    -13.33412283
  H     17.32674368     10.27144523    -14.47206481
  O     20.04382390     17.24183716    -10.39677140
  H     15.18384895     13.56876269    -14.18984896
  H     20.11121124     13.34134912    -17.25253870
  O     21.66285537     13.11070471    -13.56218450
  H     20.22100342     10.73790026    -11.15964945
  H     20.62222863     14.10885509    -18.49507078
  O     15.85322193     13.25903726    -15.74114367
  H     20.69854427     12.07346589    -10.52353731
  H     22.08752134     16.56080051    -13.98836847
  O     17.68704794     12.26879519     -9.64393896
  H     15.58345801     12.30569656    -12.25762130
  H     21.56894185     17.76645925    -13.18300233
  O     19.88594228     18.58687361    -12.74689920
  H     16.51796147     11.85257079    -11.10037625
  H     18.24460219     16.08630563    -13.84280218
  O     21.32534594     13.85520878    -10.94911894
  H     19.26203222     12.33380540    -15.53662514
  H     19.07449887     17.39660656    -13.92438260
  O     17.68094376     10.24474659    -13.57718781
  H     20.37928624     11.37762972    -16.00510200
  H     22.66975121     16.57455744    -11.66933042
  O     20.34011684     14.22275198    -17.59109192
  H     21.02628789     15.04941424    -16.01862673
  H     23.56727021     16.57105584    -10.40788525
  O     22.32294188     17.17032296    -13.27776119
  H     20.31424502     15.77595533    -14.85654245
  H     19.35045935      9.75595635    -12.99247566
  O     18.77676977     16.63631779    -14.43788039
  H     19.51044945     16.44317866    -10.28674104
  H     20.80251851      9.96294285    -13.46635745
  O     22.73068699     16.26558710    -10.74738418
  H     20.96436805     16.95672061    -10.34675507
  H     18.52114814     11.89980846    -13.58486217
  O     20.27052310      9.76341564    -12.69025635
  H     21.55343888     13.91669321    -14.08705093
  H     19.81115094     12.79160959    -13.55462331
  O     18.88011620     12.76942853    -13.80803917
  H     21.64654184     13.35747596    -12.62709090
  H     17.90667804     14.11093341    -13.24087784
  O     17.41588372     14.86212294    -12.86816058
  H     16.48003711     13.91318698    -16.08456488
  H     16.48089892     14.63584246    -12.93336787
          69
 Energy    -249.72580147244159     
  O      1.66842074      2.95633763      2.75197628
  H      0.93790487      2.58416836      2.24202361
  H     -0.55283812      9.15887866     -0.34279740
  O      2.19648877      8.98514742      5.10885922
  H      2.09251083      3.60015725      2.17192563
  H     -1.08976370      6.85822166     -0.55381132
  O      2.79161429      9.41551843      2.41158808
  H      2.54037619      9.37902777      5.90575066
  H     -0.80926204      6.12553645     -1.88042410
  O     -0.58030553      8.67168051      4.50875658
  H      2.51035480      8.06098214      5.09082299
  H      2.39327473      7.87561115     -1.79095108
  O      0.75438596      3.83641864     -0.82234809
  H      2.66560099      9.35359522      3.36697584
  H      1.15441010      7.80214501     -2.71250430
  O      4.56297771      6.02794004      2.62312983
  H      2.19035937     10.10007461      2.07902134
  H      0.06015733     10.90361095      1.85253835
  O      3.64711622      6.73801892     -1.00922651
  H      0.33759482      8.80927284      4.77240364
  H      0.79867016     11.03716541      0.50954332
  O      2.51920179      5.00082908      0.93097672
  H     -0.66682911      7.73266607      4.29674807
  H      2.94618392      5.50058582     -2.40762068
  O     -0.50128749      6.04316583      3.50675740
  H      0.11275376      4.56245908     -0.84105562
  H      1.88670538      4.38464914     -2.23001968
  O      0.12164245      6.41692495     -3.50398275
  H      0.35496832      3.12915226     -0.30154885
  H      1.35951914      3.75687733      4.25420770
  O     -1.79666587      4.56428590      1.45899453
  H      4.82235743      6.79947753      2.10635679
  H      1.02053968      3.74978610      5.76497341
  O     -0.93246625      8.48438740      0.23566648
  H      4.00229594      5.50651924      2.03589360
  H      0.94386390      9.80324203     -1.62260737
  O     -1.05932951      5.97977568     -0.95884985
  H      4.17627534      7.34533037     -0.47665482
  H      0.14276302     11.08526709     -1.95771937
  O      1.71261232      8.41202973     -2.21612671
  H      3.30288432      6.09348166     -0.37743485
  H      2.45495645      5.70327960      4.99743307
  O      0.91162897     11.13902625      1.46350159
  H      1.95359992      4.52895568      0.30375344
  H      3.63366894      6.28185802      4.16442259
  O      2.31711216      4.94906955     -2.88797828
  H      2.02703415      5.78756860      1.21921779
  H      5.61074075      8.98143946      0.95445399
  O      1.15186271      4.32587915      5.01690787
  H      0.13839254      6.45731791      2.90800574
  H      4.16216894      8.81132076      1.46466001
  O      0.37840090     10.50102915     -1.24258929
  H     -0.00322834      5.45072664      4.08439476
  H      0.49763021      7.66977995      1.08630206
  O      3.03730084      6.46500339      4.90462796
  H      0.91060145      5.85466194     -3.39896726
  H      1.75294735      7.96858337      1.94886192
  O      4.87180942      8.37804393      0.95997034
  H     -0.15356237      6.33684270     -4.41321576
  H     -1.04705417      3.01504175      1.27422559
  O      1.17100115      7.26108424      1.64431380
  H     -1.71428304      5.09201231      0.65611104
  H     -1.12343396      1.47964065      1.07477554
  O     -0.51809129      2.21532181      1.09439540
  H     -1.45714773      5.09948812      2.18888101
  H     -1.24276302      9.59791471      3.22538684
  O     -1.57430636     10.07913606      2.44572594
  H     -1.28805178      8.95675340      1.00018139
  H     -2.36627193     10.53274068      2.72045489
          69
 Energy    -249.72521127120757     
  O     17.32379391     11.99384411    -12.10375669
  H     17.71652779     12.80439587    -11.79174897
  H     16.54166664      4.13973794    -12.87506271
  O     14.78354559      6.69298829    -14.99983101
  H     17.23930240     11.40506120    -11.33170012
  H     20.22412475      8.55177244    -10.72329837
  O     13.73054921      6.15426071    -10.57695508
  H     15.25200157      7.16266174    -14.28898966
  H     19.03946213      7.60453749    -11.00851138
  O     18.48234087      5.96763011    -10.95002983
  H     15.47334012      6.40205309    -15.60634231
  H     15.82899046      8.09864843    -12.18912072
  O     17.41181563      8.96386732    -16.01315940
  H     13.71845938      5.79783322    -11.47784741
  H     16.89787220      8.52823911    -13.23181575
  O     10.75148519      9.03228439    -11.75878999
  H     12.80724683      6.28372190    -10.32699838
  H     14.35147967     11.28400730    -13.16405286
  O     13.10353057      8.82867132    -15.17150428
  H     17.70516681      5.64521173    -10.47830432
  H     15.76719014     11.91525596    -13.12085073
  O     14.89556466      8.67948456    -10.75899204
  H     18.38998458      5.65503786    -11.86022186
  H     10.77076557      6.29883661    -13.49657282
  O     10.58369592      7.95773401    -14.43747063
  H     17.86535863      9.27378873    -15.21817338
  H     11.80769978      5.24226150    -13.04118819
  O     17.65293244      5.49422374    -13.57849124
  H     16.61772102      9.50503927    -16.09809089
  H     15.07857041     11.09696351    -15.27018655
  O     17.24849975      6.26550618    -16.31583545
  H     10.79298055      8.26353783    -11.17764684
  H     14.99295184     11.30460378    -16.80069427
  O     15.88870726      3.62613791    -12.37970435
  H     10.54005656      8.68794739    -12.63600251
  H     15.99358990      4.50956576     -8.92301677
  O     19.34316276      8.52601582    -11.08772662
  H     13.62044797      8.00886743    -15.18438938
  H     15.24286312      5.35788748     -9.96949232
  O     16.25848983      7.83939253    -13.01289743
  H     13.65554094      9.49026754    -15.60569885
  H     14.33569075      4.36487989    -12.90326281
  O     15.00283677     11.76725606    -13.69004432
  H     14.47133783      7.83164870    -10.57602193
  H     13.96850990      5.53595652    -13.84747453
  O     10.91093201      5.56947819    -12.88076537
  H     14.28739532      9.18520110    -11.31905262
  H     10.86269075      6.11367786    -11.23355167
  O     15.05510452     10.63207924    -16.12716042
  H      9.93551532      8.14122473    -15.11342276
  H     10.26273352      6.15390851     -9.80591471
  O     16.08305964      4.90809856     -9.78576438
  H     11.43196959      8.29371580    -14.76952437
  H     12.33414780      9.76709629    -12.16937880
  O     13.63383468      4.99634624    -13.11958763
  H     17.17267351      6.27840974    -13.26866921
  H     13.21985068      9.53167588    -13.41410786
  O     10.95851035      6.51417998    -10.34905954
  H     17.68472494      5.58757565    -14.53651708
  H     17.91250668      9.55628600    -10.33106744
  O     13.21074307      9.94413845    -12.54090089
  H     17.35712504      7.23216331    -16.25204444
  H     16.36861825      9.63432468    -10.21154972
  O     17.18085242     10.15480848    -10.13605995
  H     17.59591646      6.00601949    -17.16450673
  H     18.02382381     10.56358910    -13.10764168
  O     18.31448685      9.70633638    -13.44496700
  H     16.01815830      3.87051599    -11.45606131
  H     18.79184278      9.28033249    -12.71987443
          69
 Energy    -249.72508727777279     
  O     -5.63001549      1.80908784      1.55173751
  H     -5.40114397      2.47438686      2.22691095
  H     -3.79584956      3.61940921     -3.42173485
  O     -1.25258370     -1.57875134     -0.95452019
  H     -6.45878099      1.42011543      1.81535637
  H      0.62374561     -1.04474003     -0.81080987
  O     -0.89290732      4.45827856     -1.65240897
  H     -1.59613805     -0.76244222     -1.35338618
  H      1.53639989     -0.46527722      0.27953389
  O     -2.17703216      0.92174849     -1.74705346
  H     -1.55418525     -2.29757499     -1.50496169
  H     -2.15652838      2.03076972      4.52185357
  O      1.26629096      0.60539404      4.85815775
  H     -1.70716713      4.13294235     -2.05707877
  H     -2.02034508      3.08254885      3.40102635
  O      0.19053875      6.09916662      2.59624275
  H     -0.27016023      3.72401816     -1.69315092
  H     -3.35760553      5.88347520      1.09121750
  O     -1.55582592      3.20346617      1.72627479
  H     -2.58768444      1.64242372     -2.23906769
  H     -4.63098131      6.70935122      1.38477829
  O     -1.56539324      0.31392430      4.51385461
  H     -2.52822226      0.99382344     -0.84430373
  H     -3.96397535      1.18279155      1.13236922
  O     -1.38821027     -0.84012609      1.82844209
  H      1.79097346      0.26075544      5.57576234
  H     -2.59248683      0.40567633      1.30301647
  O      1.21338611      0.13447300      2.08934444
  H      1.39980268      1.57025572      4.85149314
  H     -4.61208764      4.50504619      2.71600939
  O      1.60284709      3.28982980      4.76316558
  H      1.05987130      5.69303328      2.49718610
  H     -4.02059909      3.49765900      3.74130017
  O     -3.33882465      3.31494619     -2.64218963
  H     -0.13436646      5.80844928      3.45719450
  H     -0.43635570      1.60784281     -1.63852549
  O      1.44698745     -0.55931488     -0.67771715
  H     -1.68896556      4.05736500      1.29667778
  H      0.98071285      1.08462711     -1.37307957
  O     -2.32516199      2.96043629      4.31514258
  H     -2.12987947      2.54524855      1.31169905
  H     -1.31292415      4.27073152      4.91884102
  O     -4.29280041      5.81809407      1.35313798
  H     -0.62012332      0.36192558      4.70859286
  H     -0.98151085      5.42515542      5.89239464
  O     -3.05672030      1.10025445      0.81488770
  H     -1.63938685     -0.21341141      3.71093531
  H     -4.78093587      4.50413070      0.08172725
  O     -4.82244223      3.73264726      3.25555695
  H     -0.48529720     -0.50329458      1.93424257
  H     -5.26691167      3.04564364      0.08797643
  O      0.47940586      1.89846717     -1.53179938
  H     -1.39722211     -1.28367993      0.97164805
  H      0.93206877      2.48332392      0.11455463
  O     -0.66820259      4.97231218      5.11362717
  H      1.34733333      0.19122156      3.04321142
  H      0.14579279      2.90394318      1.37982694
  O     -4.94195727      3.74405467     -0.49118715
  H      1.20698604      1.04616038      1.76305961
  H      2.09205611      3.85273372      1.83482037
  O      1.03508013      2.70551829      1.04922351
  H      2.05297303      3.70636004      4.01819901
  H      3.40780269      4.65781607      1.96292488
  O      2.56389268      4.50709839      2.38006964
  H      0.86369098      3.87085193      4.97998746
  H     -1.31899143      5.42552572     -0.19773023
  O     -1.69047667      5.75766670      0.63298363
  H     -3.93531862      3.47246305     -1.88842987
  H     -0.97608078      5.98062863      1.24954951
          69
 Energy    -249.72481548594743     
  O     13.63129052     11.85034870     -8.35343380
  H     13.64630143     11.98256074     -7.40967635
  H     11.79778012     13.94356150    -13.40432583
  O     11.22833923     11.16083074    -15.20737680
  H     14.35527675     12.38621938     -8.72625208
  H     13.68489797     14.69220087    -11.67098691
  O     14.00381782      9.43104435     -9.83455882
  H     11.20835773     12.03840604    -14.79524049
  H     12.59072223     13.59486143    -11.35933789
  O     18.45151853     12.36545095    -13.58560012
  H     11.64685421     11.27103608    -16.07095137
  H     11.94862402     14.26287572    -15.56555677
  O     11.76012878     12.28646125    -10.40278557
  H     13.21689784      9.41181932    -10.39474335
  H     12.54735056     13.55699238    -16.79746363
  O     11.90559736      9.77977331    -11.67226563
  H     13.90213883     10.19646302     -9.25622149
  H     15.40751879     12.08283886    -12.53263333
  O     13.45225045      9.99914568    -13.95252001
  H     18.11485144     11.75225826    -14.25848368
  H     14.08423392     12.88689655    -12.72683313
  O     15.30453699     15.52434786    -11.20191084
  H     19.39185945     12.44043959    -13.73170081
  H     12.65906419     11.57302893    -18.42948434
  O      9.59273928     10.00122587    -13.29524462
  H     11.82480039     11.43708766    -10.86296015
  H     13.68331082     11.66560721    -17.27708532
  O     15.13177437     14.07485124    -15.24255461
  H     12.28419580     12.19217967     -9.59781320
  H     15.50474729      9.06071446    -10.59102182
  O     15.37902641     11.81157710    -16.84660166
  H     11.02934914      9.70178353    -12.06646048
  H     16.81857040      8.24786437    -10.53007285
  O     11.08534938     13.66634633    -13.99772510
  H     12.52188145      9.79256029    -12.41980949
  H     16.11268066      8.76924124    -12.90539421
  O     13.00002433     14.13194656    -12.05416412
  H     13.93216539     10.80836462    -13.70954685
  H     15.03806279      9.09852739    -13.96475004
  O     12.59039171     14.36965930    -16.28052248
  H     12.70273842     10.28647072    -14.48671903
  H     17.99667743      9.90723772    -15.97151529
  O     14.69235043     12.26685666    -13.15327936
  H     15.41025577     16.45582077    -11.02698853
  H     16.95365896      9.85387817    -14.83172621
  O     12.73385699     11.70964896    -17.48865343
  H     15.91073224     15.30903637    -11.93296011
  H     17.50525326     11.83672807    -12.07938356
  O     16.36037085      8.91454074    -11.03460815
  H      8.89815762      9.45742363    -13.65814152
  H     16.77408646     10.69258602    -11.29568548
  O     15.96700444      8.84915556    -13.85530383
  H     10.10307037     10.34160014    -14.04944304
  H     10.06534896     12.58280694    -11.35389837
  O     17.49023007     10.45689014    -15.37832733
  H     14.97461092     13.41199967    -14.55243784
  H      9.31391902     11.71354123    -12.38078294
  O     16.82457600     11.64918914    -11.42120718
  H     14.26641127     14.33217728    -15.59222001
  H     17.50878917     14.10810070    -13.34867143
  O      9.40546410     12.61821031    -12.05824642
  H     16.05664420     11.29142280    -16.40468195
  H     16.33669231     14.78066904    -14.06834508
  O     16.92160091     14.86885524    -13.30037990
  H     15.40110149     12.67773019    -16.41459808
  H     15.52513005     14.10457925     -9.97584677
  O     15.60722446     13.26210663     -9.51440707
  H     10.34989057     13.43259765    -13.41429923
  H     16.11660689     12.69010660    -10.10558846
          69
 Energy    -249.72453577049782     
  O     -3.65974763     -6.35646750      3.08091412
  H     -3.78539590     -6.35888892      4.02607069
  H     -0.59555998     -9.26936826      0.20078351
  O      1.36817827     -2.38928798     -2.15705529
  H     -2.71690246     -6.54517581      2.92655651
  H     -4.28646929     -8.05343129     -3.81630604
  O      1.28807476     -6.98983448     -0.29714128
  H      1.61142728     -1.48461973     -2.34090485
  H     -3.55691993     -6.69189365     -3.87670057
  O     -5.76721285     -8.77961199     -2.94095521
  H      1.77628974     -2.61831492     -1.30764505
  H      3.06047592     -4.00580728     -0.17851434
  O      2.55560244     -4.74001873     -3.46748952
  H      1.07505843     -6.26431360      0.30735745
  H      3.32750974     -2.77692447      0.72503492
  O     -1.02500920     -8.60624491     -3.91668813
  H      0.96523238     -7.79313613      0.12631234
  H     -1.31567896     -9.25332407     -2.20030972
  O     -2.62382123     -6.80467579     -0.76781492
  H     -6.56376239     -9.13397875     -3.32704966
  H     -2.43866188     -9.70232206     -1.19277840
  O     -0.97680925     -3.91183717     -2.58206939
  H     -6.04433243     -8.08406599     -2.31733304
  H     -6.03762083     -3.43916866     -1.15740437
  O     -6.37572929     -6.91069189     -1.08093806
  H      1.80807459     -5.35191594     -3.41717235
  H     -5.04225839     -4.18642785     -0.24078196
  O      3.56993787     -5.44726709     -0.97113731
  H      2.19943075     -3.88272841     -3.20924290
  H     -3.92420632     -7.44103612      0.29395933
  O     -4.15093868     -9.99381708     -0.91238620
  H     -1.92624899     -8.26502782     -4.06859444
  H     -4.43060559     -7.45917678      1.74133959
  O     -0.05671217     -9.09679978      0.99246783
  H     -0.76581752     -9.07023986     -4.70793526
  H      1.33140380     -4.24423853      1.17787694
  O     -3.50076193     -7.61365916     -4.16387684
  H     -2.18449860     -7.62751640     -1.01150915
  H     -0.16504178     -4.61116671      1.00861477
  O      2.65062747     -3.21105738      0.21233477
  H     -2.94596288     -6.38275790     -1.57506951
  H     -1.94102381     -5.30096242     -0.06197451
  O     -1.53246984     -9.36127830     -1.26689320
  H     -0.55971680     -4.77959212     -2.70834870
  H     -1.41533224     -4.05791775     -0.80227701
  O     -5.46294409     -4.19924946     -1.11900977
  H     -0.25593298     -3.27418209     -2.52357488
  H     -0.74959996     -7.67272303      2.09064271
  O     -4.59839331     -7.83519839      0.87079612
  H     -6.17105375     -5.97069790     -1.13750513
  H     -0.38807520     -6.20087543      2.37768759
  O      0.66187355     -4.88538894      1.43854220
  H     -5.90917528     -7.23471939     -0.29752056
  H     -4.09089863     -4.87303854      1.92277846
  O     -1.63378779     -4.39051663      0.07717436
  H      3.39375758     -5.25438709     -1.90418614
  H     -3.23973773     -4.07211029      0.92513498
  O     -1.03287605     -6.89007136      2.57814147
  H      2.95230321     -6.14879655     -0.72883584
  H      0.62331084     -6.62425693     -1.95936159
  O     -4.14378994     -4.18194355      1.25264407
  H     -4.38605849     -9.42374456     -0.16754803
  H     -0.09568557     -7.11924626     -3.25307219
  O      0.30573730     -6.35084966     -2.83227234
  H     -4.71332572     -9.71026366     -1.64382372
  H     -4.17271442     -4.72933769     -2.35764820
  O     -3.48578027     -5.14587651     -2.89435416
  H      0.20258394     -9.94660737      1.33925917
  H     -2.70829714     -4.57198141     -2.88744427
          69
 Energy    -249.72429552436171     
  O     15.45466264      4.53117316     -9.56921569
  H     14.55456992      4.57788886     -9.92413334
  H     12.70781263     10.51700161    -13.04434952
  O     14.03483134      8.40313454    -16.53962676
  H     16.05221403      4.48974315    -10.32603490
  H     16.24252765     10.38928117    -11.46571863
  O     17.45611636      9.45489522    -14.37531854
  H     13.64710452      8.37242974    -17.41040544
  H     17.03766729      9.67168944    -12.62460060
  O     14.94465857     11.57163474    -11.11163249
  H     13.33318184      8.15336803    -15.91246154
  H     14.21266485      7.80403964    -11.19209831
  O     12.11328958      7.75003154    -14.73430844
  H     17.07590381      8.63808418    -14.73064046
  H     15.30980279      8.59612071    -11.96384194
  O     19.54520555      4.67504185    -13.24347509
  H     18.41333352      9.32971413    -14.36578848
  H     12.64102069      5.17572899    -11.45766240
  O     12.49444895      5.23176631    -13.43151610
  H     14.22821196     11.21710128    -10.57312545
  H     12.91815042      5.96784034    -10.15880962
  O     17.77032461      7.41136692    -10.40022075
  H     14.53252267     11.85180456    -11.93933109
  H     20.98190576      9.11721942    -14.32819089
  O     12.59201208     10.27843910     -9.95339810
  H     11.99458288      8.42145774    -14.05150041
  H     20.16705973      8.21654385    -13.36899548
  O     19.02555124      6.29334227    -15.36127043
  H     12.13205109      6.89797496    -14.28123384
  H     15.86378600      5.37914556    -12.87467827
  O     13.60389807     12.04604363    -13.58659397
  H     20.10612405      3.94892381    -13.50149527
  H     14.91305227      6.59933054    -12.97716014
  O     12.38639440      9.68769245    -12.66514569
  H     19.35056278      5.18302334    -14.05159469
  H     16.02514237     10.43524636    -15.04489767
  O     16.76589830      9.60857673    -11.69864033
  H     12.24887180      4.38100008    -13.78834096
  H     14.75431334      9.99514330    -15.80536636
  O     14.52452261      8.04384377    -12.07583379
  H     13.46350138      5.29146658    -13.49442205
  H     15.59675665      7.53084311    -15.98866396
  O     12.89479423      5.07748445    -10.53419578
  H     17.24851184      7.28848154     -9.59902530
  H     15.94926962      6.58782781    -14.81612194
  O     20.13587714      8.69206348    -14.21889050
  H     17.46121851      8.23261749    -10.81190057
  H     19.41698982      7.29660325    -11.30825971
  O     15.17095015      5.77408096    -13.42056884
  H     12.37262590     10.07626129    -10.87854187
  H     20.04065442      6.27865615    -12.28663775
  O     15.15519454     10.73742938    -15.33691362
  H     11.83194032     10.72047014     -9.58244051
  H     17.40316055      5.85001665    -11.30484122
  O     16.33782235      7.14968131    -15.50247623
  H     18.10683832      6.52292766    -15.55341522
  H     18.00070519      4.75563691    -12.22771506
  O     20.11898177      7.18441239    -11.96233312
  H     19.46555982      7.12098359    -15.13095970
  H     16.16860555      6.69887796     -7.36193526
  O     17.20723288      5.00679320    -11.73981571
  H     13.31562379     12.87123065    -13.96632584
  H     15.77891904      5.96152615     -8.66793215
  O     15.94957155      6.84086669     -8.27886868
  H     14.18338817     11.62070226    -14.24531665
  H     13.25128189      8.56345724     -9.44851637
  O     13.54717574      7.64809451     -9.52010147
  H     13.15980971      9.10929526    -12.55927118
  H     14.33897050      7.52689061     -8.97921922
          69
 Ord_Energy   -249.723358    
 O    5.08854198      -1.72081184       5.19319677    
 H    4.59976530      -1.77421856       6.02757359    
 H    4.72851181      -2.39937258       4.60929155    
 O    2.38245034       3.23817968       8.98122120    
 H    3.28562474       3.40109372       9.30673599    
 H    1.78631783       3.56727362       9.64848423    
 O    3.66640019      -3.41898561       3.47823548    
 H    3.27920985      -2.74613643       2.89487529    
 H    3.76994967      -4.21098566       2.95677853    
 O    7.39642668     -0.662949502       6.22830582    
 H    6.70114422      -1.09433162       5.71139860    
 H    7.85940218      -2.15642303E-02   5.67516708    
 O    2.52920413      -1.31381047       2.05616999    
 H    2.14092445      -1.14889848       1.20183575    
 H    1.83398223      -1.14702046       2.72187901    
 O    4.94791174       3.53973627       9.82599258    
 H    5.31434011       2.68457651       10.0895729    
 H    5.62710238       3.97192478       9.29574490    
 O    5.27943897       3.63284230       6.08207512    
 H    5.36224413       2.75990558       6.49605322    
 H    4.33870554       3.86167479       6.07175207    
 O    2.57379198       4.00936651       6.20685673    
 H    2.25260806       3.23249364       5.72916842    
 H    2.39669752       3.84276319       7.14096165    
 O    5.57145882       1.17790210       7.34376287    
 H    6.19564104      0.556855202       6.95052481    
 H    5.77809811       1.21645141       8.28681660    
 O    2.05666184       1.43428195       5.12089396    
 H    2.82250118       1.19286752       4.58248138    
 H    2.25934815       1.15366459       6.02516842    
 O    8.58463669       1.52082455       4.95188093    
 H    7.78462601       1.83649230       4.49371290    
 H    9.30805969       1.61467171       4.33805275    
 O    6.28074932       2.33623385       3.82866502    
 H    5.91294575       2.93706250       4.49158049    
 H    5.57904196       1.70508540       3.62456775    
 O    8.85056591      0.885203183       9.81827545    
 H    8.88166904       1.46074116       9.03230000    
 H    9.59204769       1.12733245       10.3659763    
 O    8.78090191       2.51214910       7.66661692    
 H    8.72675800       2.22961330       6.74651909    
 H    8.19077301       3.26966405       7.76572561    
 O    5.46031141      -1.80310798       9.77949905    
 H    5.42778015      -2.44826102       10.4815865    
 H    6.36443329      -1.82888067       9.41587639    
 O    6.05995941      0.985625386       10.1041861    
 H    7.02674770      0.958854854       10.1259041    
 H    5.75023174       7.15623870E-02   10.1139250    
 O    2.87363267      0.788431704       7.70522213    
 H    2.58591723       1.54616404       8.22878075    
 H    3.82020950      0.919419706       7.53551674    
 O   0.803703189     -0.867042661       4.05110502    
 H    1.04707026      -2.56881099E-02   4.45806980    
 H    1.00415576      -1.55853772       4.69878864    
 O    3.64316225      -1.84255481       7.58137608    
 H    3.22012997     -0.975522637       7.67397594    
 H    4.23689127      -1.92910588       8.33640957    
 O    4.22616720      0.412416309       3.60194898    
 H    3.72273111      -5.96431084E-02   2.92883158    
 H    4.55918694     -0.266648978       4.20606756    
 O    7.95486069      -1.60717857       8.76218033    
 H    8.40331745     -0.853416920       9.16424084    
 H    7.84022999      -1.37094295       7.82963610    
 O    6.90285254       4.64343929       7.99340534    
 H    7.08034945       5.57698536       7.90914249    
 H    6.32377720       4.39978504       7.24928236    
 O    1.78999186      -2.91558909       5.68261576    
 H    2.34753871      -2.66668296       6.43055487    
 H    2.39009738      -3.26063609       5.01201725    
          69
 Energy    -249.72322285114882     
  O     -9.42413703     -0.89177214      5.87156552
  H     -8.57317164     -1.34577796      5.87418147
  H     -2.94954834      0.57519513      2.39552816
  O     -9.91183912     -2.13724003      1.55292407
  H     -9.27529521     -0.02208765      6.26594145
  H     -8.53450652      0.29995047      3.30607799
  O     -5.15590614      1.03495766      0.15628406
  H     -8.94161455     -2.17536599      1.60031263
  H     -7.16989032      0.53753572      4.01796623
  O     -6.42336017      0.73376527      5.80356835
  H    -10.21961656     -3.03693058      1.47593307
  H     -6.43439463     -2.72182676      6.45627925
  O     -4.00592132      5.24236458      1.87759190
  H     -5.60499671      0.35765364     -0.36133885
  H     -6.16108259     -2.07658257      5.07939337
  O     -9.67487351      2.21691670      0.31353112
  H     -5.85128237      1.60353780      0.52307136
  H     -1.70603793      2.47791237      2.80215475
  O     -8.81685771      1.79046167      6.72303003
  H     -7.18861239      1.12786202      6.24148119
  H     -0.53429715      1.64416627      2.23112451
  O     -5.19597062     -2.02958840      3.62543737
  H     -6.44440881     -0.21676279      5.97290737
  H     -9.34800795      3.28001470      3.93964216
  O     -3.25226131      3.09905799      0.36040740
  H     -3.77819017      4.50888688      1.27846473
  H     -7.90906853      3.83172843      4.17184517
  O    -10.34394104     -0.10237297      3.43919862
  H     -3.81895211      6.04807239      1.40316457
  H    -11.71978123      2.78942123      3.11104306
  O     -6.74104016     -0.97383070     -1.01584708
  H     -8.75932120      2.42456108      0.54773062
  H    -10.73822757      1.59585843      3.12315402
  O     -3.83989046      0.21230173      2.48726398
  H    -10.17950798      2.40388058      1.11273116
  H     -6.91416465     -1.63302341      0.72926786
  O     -7.58607774      0.41017430      3.15835564
  H     -9.07274945      2.27740926      7.50153279
  H     -7.21906745     -1.04614765      2.14225959
  O     -6.71997174     -2.02128500      5.87565888
  H     -8.80184177      2.42818299      5.98541934
  H     -9.71496325     -0.90989551      0.00019655
  O     -1.47999418      1.75516428      2.18932564
  H     -4.62839205     -1.31008527      3.31985592
  H     -9.52417882      0.57635403     -0.38996984
  O     -8.68463551      3.46811866      4.61481552
  H     -5.80006265     -2.20648584      2.89242092
  H     -2.85395285      4.40993447      3.22867710
  O    -10.81542118      2.54556727      2.92798130
  H     -2.55257305      2.64557633      0.84596477
  H     -3.14278325      3.24070580      4.18035753
  O     -7.16243177     -1.87038204      1.63176590
  H     -3.88904274      2.41187750      0.12435312
  H     -5.17281372      1.69302520      5.01408726
  O     -9.33190375     -0.33261654     -0.66751693
  H    -10.33492270     -0.82586806      2.80022745
  H     -4.38783382      1.48529489      3.69721675
  O     -2.42086715      3.75115305      3.78465987
  H    -10.14764016     -0.46907707      4.31576409
  H     -7.32425541      1.73750292      1.99910799
  O     -4.62409338      2.14765538      4.36079596
  H     -6.62578134     -1.43257413     -1.84337764
  H     -6.81750533      3.19317099      1.95113771
  O     -7.11900544      2.46619080      1.39297736
  H     -7.67512833     -0.69582043     -0.97554363
  H     -5.54727316      4.73927012      2.86658055
  O     -6.19521359      4.20104705      3.33812842
  H     -4.30679883      0.42559557      1.66650567
  H     -5.68216493      3.48814449      3.74951216
          69
 Energy    -249.72291489573740     
  O     12.01193229      9.49401379    -12.92562747
  H     11.98719264      8.80453557    -13.60726828
  H     16.96289836      6.91177125    -16.88399890
  O     14.54616376      6.67229157    -14.93844188
  H     12.30778597     10.29707822    -13.37197975
  H     18.37340234      7.39126591    -15.07685877
  O     16.21822204     10.88765328    -10.13653557
  H     14.95130804      7.42043393    -14.47678512
  H     19.41611407      7.45853413    -16.21281435
  O     17.08806476     10.09755355    -16.53164598
  H     15.04958556      6.53092482    -15.75113265
  H     14.17824394     11.51951266    -14.40530300
  O     11.95919422      7.53477177    -14.88694958
  H     16.69281479     11.25953748    -10.88903335
  H     12.97694980     12.48079588    -14.54145546
  O     16.34777060      6.35848368     -9.73785904
  H     15.44543736     10.43034082    -10.49924794
  H     15.26089917      8.83853691    -12.64221158
  O     14.18068993      5.22734614    -12.62082428
  H     16.40667335      9.80947190    -17.15334514
  H     15.81848646      9.54563108    -13.89886283
  O     14.22759448      9.29834167    -11.24294571
  H     17.63725953      9.32374464    -16.35868649
  H     10.21421299      7.99118998    -10.57426691
  O     14.99022453      9.10477423    -18.15423080
  H     12.87145784      7.23019216    -15.01519377
  H     11.25558489      8.40503272    -11.63512735
  O     16.93368867      4.86237889    -11.89882554
  H     11.53242078      6.83382860    -14.37635251
  H     18.61720347      8.96020661    -10.87059458
  O     15.93125916     11.31012336    -14.41651980
  H     16.78092469      7.19306157     -9.52047368
  H     18.73325623      8.39760535    -12.30280748
  O     16.08850094      6.65111707    -17.19839543
  H     15.39550824      6.51783590     -9.73327239
  H     11.09216508      6.17745027    -12.26078093
  O     18.50584906      7.65268902    -16.00273397
  H     15.06931259      4.92872607    -12.39488819
  H     12.18952412      5.26756476    -12.84314216
  O     13.20686817     11.56124121    -14.43140207
  H     14.27194751      5.66412244    -13.48115645
  H     18.54758757     12.24167478    -12.35307484
  O     15.72319458      8.68436852    -13.47597764
  H     14.09100628      8.43429324    -10.83072007
  H     18.27880169     10.72466274    -12.23525648
  O     11.00745031      7.69901707    -11.01714421
  H     13.45156981      9.46115493    -11.79490039
  H     17.14662041      7.64632806    -13.37056989
  O     18.93147403      9.17002406    -11.75895904
  H     14.20849897      9.27932366    -17.60129264
  H     17.66615013      6.25001395    -12.93953115
  O     11.29837084      5.60077157    -13.00589510
  H     14.73834829      9.30493715    -19.05194173
  H     17.14251824      9.57133139     -9.45390777
  O     17.85727057     11.58555619    -12.40840892
  H     16.78433790      5.37132061    -11.08028993
  H     18.07298004      9.00104429     -8.35789676
  O     17.92917026      7.07132780    -13.37095454
  H     17.35168754      4.04445245    -11.64263089
  H     12.93567391     10.33445951    -15.90130616
  O     17.68372590      8.80106906     -9.20547355
  H     16.59966049     11.50385818    -13.74659538
  H     12.39816860      8.90396650    -16.10598067
  O     12.85792203      9.62751979    -16.55156666
  H     16.38527419     10.99517151    -15.21569626
  H     12.67674916      6.98789375    -10.39052290
  O     13.61218375      6.75442380    -10.36221389
  H     15.71527192      7.43258240    -17.62736253
  H     13.78259019      6.20931145    -11.14655404
          69
 Energy    -249.72264128390833     
  O     18.11034706      9.08542633    -10.73286486
  H     17.28123121      9.57116834    -10.82850872
  H     19.37636357      9.66742985     -9.56017233
  O     14.03328431      9.21613341     -9.34040669
  H     17.91721463      8.25865855    -10.27293575
  H     19.42250245     10.42266461    -13.11125713
  O     19.98070544      3.80693450    -11.70089816
  H     14.79426906      9.01928624     -8.76410488
  H     18.88061288      9.27833328    -12.24803383
  O     21.21984734      7.58956080    -12.51547869
  H     13.31654743      9.48041355     -8.77042352
  H     21.17890760      6.09215675    -13.47154780
  O     16.26848754      8.78588260     -7.90713223
  H     19.06242438      3.65191110    -11.95527055
  H     21.85991566      5.11301237    -14.45505491
  O     18.31983152      5.33776129    -14.68724704
  H     20.41517520      4.14997491    -12.49192729
  H     16.86702686      4.47754546    -12.21478866
  O     23.20887753      8.85430989    -11.00034117
  H     20.60748867      8.27876161    -12.80695188
  H     16.60178082      2.99406370    -12.55647802
  O     21.85847657      7.92842445     -8.85181991
  H     21.96603263      8.02604970    -12.08495705
  H     15.06621386     10.12912097    -10.57418769
  O     17.66771263      6.75468303     -9.34223846
  H     16.83310874      9.56500261     -7.84051575
  H     15.42113161     10.10220181    -12.08378383
  O     17.71924514     11.31380003     -7.82705336
  H     16.81080758      8.05317552     -8.22714701
  H     15.72356623      8.58696182    -13.76809185
  O     17.55502556     12.35168220    -10.36157931
  H     17.94094737      4.66094434    -14.11275586
  H     14.54274288      9.34635307    -14.41557326
  O     19.95079246      9.99039968     -8.84983443
  H     19.27387826      5.29639708    -14.54427189
  H     22.23553095     10.52151514    -10.93344124
  O     19.27281459      9.47106803    -13.11789719
  H     24.15436133      8.77978533    -10.90603281
  H     21.07855228     10.90038725     -9.99721526
  O     21.06535503      5.25131517    -13.94588363
  H     22.81581333      8.51147416    -10.17595429
  H     13.86644835      7.92598655    -10.72357565
  O     17.26533470      3.67788710    -12.59809226
  H     21.21564939      8.62903269     -8.67369217
  H     14.08148624      7.94802073    -12.24994938
  O     15.69608632     10.45764236    -11.22958052
  H     21.34338860      7.16794226     -9.15275316
  H     17.60618336      6.90788333    -14.28703745
  O     14.91789285      9.09717918    -13.57500582
  H     18.57877119      6.47368629     -9.51204502
  H     17.97218921      8.32901730    -13.74546998
  O     21.58956760     11.21412498    -10.75681205
  H     17.13479707      6.39966798    -10.06819546
  H     19.94667823     12.98818246    -12.80952688
  O     13.91880534      7.35817215    -11.50299094
  H     17.66659541     11.73568234     -8.70324432
  H     20.40402466     11.88942999    -11.82229511
  O     17.24484244      7.70668523    -13.87412696
  H     17.53455096     11.99403609     -7.18486413
  H     16.73073870      6.66477256    -12.36969511
  O     19.66322983     12.18307489    -12.38406491
  H     18.25402838     12.33875778    -11.02509759
  H     15.42362823      6.41219471    -11.57501930
  O     16.33110681      6.09648802    -11.69820848
  H     16.82036118     11.84786920    -10.73947708
  H     20.15701838      5.23046572    -10.60666990
  O     20.21369079      6.12957864    -10.25192196
  H     19.36108627     10.48654492     -8.27157068
  H     20.48061876      6.68543863    -10.99505222
          69
 Energy    -249.72251558852798     
  O     12.76264881     11.37725032    -17.42848260
  H     13.50923299     11.10459005    -17.97467832
  H     14.45632159      5.92174995    -15.21463575
  O     17.53555849      6.17058123    -13.91843811
  H     13.14587614     11.74061891    -16.61856097
  H     15.49414668     11.26532959    -15.90388295
  O     18.77965249     10.35762690    -12.27390553
  H     17.32577502      6.90666633    -14.50810480
  H     15.95881783     10.68683735    -17.26672414
  O     18.29126084     11.72045509    -14.70113950
  H     17.80058685      6.57763900    -13.08069640
  H     14.21921691      9.37989504    -13.13550446
  O     15.25663766      4.75555500    -13.93686424
  H     19.66829632     10.58941947    -12.01188031
  H     14.83930055      8.07860203    -12.53862987
  O     14.36096711      9.69775534     -9.62069727
  H     18.63645853     10.75757024    -13.14522797
  H     11.65860045     10.02950112    -17.30076091
  O     14.37544440      6.41903060    -11.84911353
  H     17.62798235     11.40751584    -15.33855966
  H     10.32263763      9.36797284    -17.71562696
  O     12.65625264     10.23860599    -13.46503902
  H     18.91492312     12.24194621    -15.20173264
  H     18.29389541      8.51679007    -11.81240415
  O     13.56315043      7.93253113    -18.17362596
  H     15.40472998      3.81725831    -14.01103037
  H     17.40763159      7.60933751    -10.92414777
  O     15.87139937      7.27701285     -9.74223352
  H     16.13405935      5.18386174    -13.93290324
  H     11.63722146      7.34886362    -13.06972339
  O     16.38843559      8.37022108    -15.22714135
  H     14.84831900      8.86952946     -9.53111008
  H     11.69918531      7.95601255    -11.64670635
  O     14.22620802      6.71020201    -15.71887961
  H     14.97368888     10.29893661    -10.06526147
  H     16.84551674     12.74242648    -13.75396988
  O     16.26133816     10.90819167    -16.37700864
  H     13.41798536      6.55982863    -11.90798483
  H     15.96584961     12.39017047    -12.55207112
  O     15.05217560      8.93865611    -12.92231729
  H     14.62989427      5.77408931    -12.51955335
  H     17.12137350     10.82367748    -11.46684331
  O     11.14892759      9.19968288    -17.27098414
  H     12.30661558      9.48814922    -13.96788804
  H     15.78047542     10.21675050    -11.90234764
  O     18.09152507      7.59812163    -11.60339835
  H     12.31859854     10.17204114    -12.56262454
  H     15.23606307     10.15223435    -19.68628357
  O     11.76371356      7.12714242    -12.13779006
  H     13.81052305      7.36868100    -17.42936502
  H     14.55912628      9.30932213    -18.58073708
  O     16.01471023     12.97092169    -13.32397093
  H     12.67608458      8.25581919    -17.97299097
  H     11.28865735     10.07493633    -10.22720795
  O     16.16799774     10.93087477    -11.37070511
  H     15.32661224      6.87677442    -10.44239267
  H     12.77736104      9.68175772    -10.35753903
  O     15.02153742     10.14840558    -18.75738015
  H     15.99080322      6.60740531     -9.07282511
  H     13.53042486     11.44156328    -14.47279045
  O     11.92147946      9.68106433    -10.82187598
  H     16.42232217      9.19475681    -15.72324269
  H     14.67039931     12.49500018    -14.43944001
  O     14.08607458     12.00182986    -15.03301197
  H     15.99914123      8.59263409    -14.36572829
  H     12.68657312      7.50923989    -15.12326493
  O     11.88605938      7.98290681    -14.85459153
  H     14.97987207      7.31208890    -15.62451661
  H     11.50000180      8.34998498    -15.66000812
          69
 Energy    -249.72196893619582     
  O     -5.47830882      3.27098188      2.82234440
  H     -4.91498324      4.01968256      3.09143640
  H     -5.10015128      2.62413302     -2.71278179
  O     -2.70239229     -1.87473713      1.16644667
  H     -6.22624127      3.25905044      3.41246096
  H      0.64798590     -2.65389850      0.24181549
  O     -1.64289550      3.01273661     -2.17771287
  H     -1.81307649     -2.03790908      0.82943288
  H      0.37307602     -1.39184096      1.08812211
  O     -3.51527387      0.30511998     -0.52899115
  H     -3.12183260     -1.29949534      0.51408286
  H     -1.21089334      3.42798080      4.54750876
  O      1.80051928      1.15260156      4.59643015
  H     -2.59712793      2.86150242     -2.20947525
  H     -1.29057323      3.91930476      3.08565941
  O      1.05535985      5.63671973      0.60332256
  H     -1.24671148      2.14523993     -2.04845113
  H     -2.74826298      6.02394245      0.19274348
  O     -1.40508795      3.29827188      1.45993112
  H     -3.93693316      0.91554261     -1.14496908
  H     -3.65292611      7.25958411      0.40249533
  O     -0.96812881      1.73736762      5.14799122
  H     -3.54876825      0.74832272      0.33363702
  H     -4.20781266      2.04129356      2.33404182
  O     -1.94670239     -0.23687767      3.28173814
  H      2.44023387      0.95312010      5.27469022
  H     -3.03067411      0.99746630      2.51423159
  O      0.74660191     -0.15864172      2.36582534
  H      2.09464795      1.97588538      4.16628233
  H     -3.62979635      5.75063217      2.49578852
  O      2.55931976      3.42211051      3.33424769
  H      1.75081015      4.98023695      0.47881747
  H     -2.93498982      5.02559765      3.68098654
  O     -4.45294202      2.50850290     -2.02219660
  H      0.99433805      5.76996462      1.55725011
  H     -1.77056522      0.30891991     -1.03355125
  O      0.06843958     -1.89978260      0.31792174
  H     -1.51539592      3.94788726      0.75493993
  H     -0.47307020     -0.51149360     -0.93089299
  O     -1.27346199      4.22746171      4.00648389
  H     -2.19541365      2.74270407      1.50910854
  H      0.12029813      5.26620123      3.75101407
  O     -3.52577541      6.35460725      0.67569927
  H     -0.02933058      1.52938201      5.06183037
  H      0.98674620      6.51172751      4.04911611
  O     -3.48513743      1.58127905      1.89067587
  H     -1.43565329      1.02961203      4.68862642
  H     -4.66968053      4.91231072      0.22408654
  O     -3.79251601      5.31391086      3.34122668
  H     -1.02017869     -0.17484103      3.01297630
  H     -5.39374055      3.76192834      0.94302973
  O     -0.82976321      0.31944225     -1.26733405
  H     -2.32880527     -0.91078149      2.69962422
  H      0.21359942      1.34139087     -0.21989797
  O      0.92304898      5.74620832      3.48383762
  H      1.18737673      0.15741653      3.16413182
  H     -0.01043805      2.40788924      0.88103988
  O     -5.15602639      4.09311880      0.06958432
  H      0.77412578      0.57384393      1.73188180
  H      2.12427477      2.80766854      0.41626439
  O      0.66423946      1.84517245      0.47073606
  H      2.80826643      3.41200447      2.40213898
  H      3.51826288      3.17354868     -0.14989992
  O      2.87419072      3.42184511      0.50768020
  H      2.06300964      4.23966808      3.46288582
  H     -1.38617192      4.51903044     -1.21872110
  O     -1.39792237      5.22028837     -0.55074750
  H     -4.72990637      3.07710687     -1.28165682
  H     -0.49304619      5.41568131     -0.26214522
          69
 Ord_Energy   -249.721817    
 O   -5.84628630       2.80748129       3.95309639    
 H   -5.17863226       2.65882182       3.27333379    
 H   -5.61394882       2.20451188       4.67265558    
 O   -4.28116751       6.75895357       9.02432346    
 H   -4.45587921       7.58555889       9.46670723    
 H   -3.86935377       6.98143482       8.17064762    
 O   -4.04130745       6.97932053       3.96783710    
 H   -4.16415358       7.60044336       3.25460696    
 H   -3.52906227       6.23567438       3.60781026    
 O   -2.34638190      -7.99847394E-02   6.35409641    
 H   -2.51581454     -0.633638322       7.12661219    
 H   -1.68020165      0.564010859       6.63432360    
 O   -5.74155807       5.17115116       5.37770510    
 H   -5.88256598       4.39518166       4.81171513    
 H   -5.36489248       5.86847448       4.83081961    
 O   -3.06900311       7.31017494       6.65511417    
 H   -2.12525415       7.11790895       6.58901262    
 H   -3.41383362       7.28426027       5.75535297    
 O   -4.59012699       1.55695891       6.15105534    
 H   -4.08151340       2.36129832       5.95961905    
 H   -3.93188882      0.855133951       6.21982479    
 O   -2.65089583       4.70947123       3.26810098    
 H   -2.95333433       3.99899006       2.69050860    
 H   -2.80208135       4.38384724       4.17230129    
 O   -1.89464319      0.981441796       3.74541950    
 H   -1.05172193       1.40452194       3.94726920    
 H   -2.12264895      0.468266368       4.53037643    
 O   -3.29079437       4.23854780       9.73431587    
 H   -3.95226002       3.64619422       9.34270763    
 H   -3.62393093       5.13858271       9.62837696    
 O   -3.24988651       3.93234706       5.80734110    
 H   -4.04352331       4.47467995       5.91276979    
 H   -2.63426900       4.10864067       6.52727222    
 O  -0.347471833       6.51279497       6.54790115    
 H  -0.209712356       5.97948742       5.74342632    
 H   0.426569164       7.05912924       6.65246534    
 O   -6.39999628       5.02534914       8.07220745    
 H   -6.31810904       5.11359978       7.11130381    
 H   -5.80922031       5.69056320       8.44211769    
 O   -2.16358519       2.24561334       11.2923832    
 H   -2.00937629       2.52572060       12.1915455    
 H   -2.51461911       3.01684713       10.8185406    
 O   -5.25188684       2.60552549       8.64287376    
 H   -5.80877161       3.38290668       8.48784924    
 H   -5.09725571       2.18780780       7.78452826    
 O  -0.343738735       1.71790552       7.22406673    
 H  -0.286822051       1.24297905       8.06561852    
 H  -0.667199969       2.60690498       7.43066788    
 O   -2.78838444      -1.30145001       8.85333061    
 H   -3.01663160      -2.17925215       9.14687634    
 H   -3.37780976     -0.686341047       9.32608795    
 O   0.545354784       2.17966437       4.69411707    
 H    1.38366306       1.75538719       4.52708578    
 H   0.311871380       1.97989261       5.61742687    
 O   -4.22296286      0.545012474       10.2230654    
 H   -3.57719803       1.04868972       10.7323427    
 H   -4.72810602       1.20144105       9.72334099    
 O  -0.625532508      0.446173370       9.62767887    
 H   -1.06573343       1.05489326       10.2337427    
 H   -1.26899540     -0.247054443       9.43415070    
 O   -3.62298393       2.33886170       2.15244246    
 H   -3.70179367       1.87428200       1.32376289    
 H   -3.02652359       1.80930626       2.71258807    
 O   -7.55830780E-02   4.94205952       4.36575794    
 H   0.201444373       4.02196550       4.45710278    
 H  -0.879614234       4.92366076       3.83041310    
 O   -1.32143700       4.20954227       7.80330515    
 H   -1.92559350       4.31545687       8.55024815    
 H  -0.945813835       5.06380939       7.55882311    
          69
 Energy    -249.72175524297489     
  O      2.62896349     -2.39394146     -3.03097176
  H      3.44524749     -2.43744288     -2.50098393
  H      3.49487434     -1.99847559      3.62627999
  O     -1.27804611     -0.47420358      2.42070961
  H      2.89010751     -2.20479879     -3.92825065
  H      0.37308681     -7.69883190     -1.48935716
  O     -1.23324400     -4.11818883     -0.93305577
  H     -1.37115375     -0.80278930      1.50778913
  H      0.66114078     -6.36964352     -2.23583347
  O      1.78009366     -4.79508125      4.06030085
  H     -2.08036027     -0.00018722      2.62282427
  H      3.72100739     -4.65235306      0.75677492
  O      4.59287237     -0.78139025      0.79194659
  H     -1.77978221     -4.78786269     -1.36324655
  H      2.44345603     -5.56476930      0.91119639
  O     -2.13310102     -7.55787048      0.55474379
  H     -0.33439820     -4.23952216     -1.26984909
  H     -1.21338845     -4.74737553      0.76835986
  O      1.22373562     -6.50620720      1.85966110
  H      1.64028467     -5.51149134      3.42851108
  H     -1.04575680     -4.42543797      2.27596103
  O     -1.37918929     -1.40296369     -0.13116109
  H      1.04415942     -4.18078174      3.94093494
  H      4.88169203     -3.73566859      2.45980685
  O      2.67020396      1.18259101      0.02261811
  H      4.19896427     -0.90863975      1.66699534
  H      5.05192735     -2.74653731      1.29676804
  O      1.20519360     -0.93656558     -1.08228284
  H      4.10055975     -0.03681994      0.42376467
  H     -0.70020292     -2.16859991      3.14086354
  O      1.60951287     -2.63798067      1.13267520
  H     -2.41755810     -7.22962591     -0.30737314
  H      0.39256220     -2.93100304      2.39208941
  O      3.09693877     -1.32526219      3.06369292
  H     -1.96015410     -6.76970983      1.08837266
  H      4.63000568     -3.86717722      5.05011382
  O      0.15122920     -7.19012440     -2.27853345
  H      0.38290704     -6.02711805      1.79855645
  H      3.35129147     -4.10377144      4.21035959
  O      2.91924546     -4.96658629      0.31707732
  H      1.08377064     -7.33456204      1.38557537
  H     -0.56903066     -8.34034089      0.37182708
  O     -1.19111378     -5.14622194      1.65039984
  H     -1.48298598     -2.32427900     -0.40031946
  H      0.35930858     -9.57688225      0.30525893
  O      5.05526910     -3.68569110      1.50937082
  H     -0.56430908     -1.10885043     -0.56066438
  H     -1.53743878     -6.73963076     -2.23177690
  O     -0.23452724     -3.01158194      3.13006631
  H      2.16627264      1.10104689      0.85405052
  H     -2.96543287     -6.62862982     -2.82232295
  O      4.21394302     -3.64992830      4.22064348
  H      2.74571993      2.11432585     -0.16365244
  H      1.91258621      0.11584958      2.79319687
  O      0.35126361     -8.62662165      0.22593757
  H      1.65059083     -1.35604592     -1.82813404
  H      0.43734902      0.36842509      2.39727222
  O     -2.43922423     -6.41199743     -2.05784005
  H      1.71870324     -0.16014553     -0.82419137
  H      1.73595448     -3.94407461     -2.42237831
  O      1.32905170      0.72984068      2.32687146
  H      1.43259407     -2.07012226      0.37310613
  H      1.96127366     -4.82439271     -1.16905341
  O      1.35441529     -4.66365576     -1.90761530
  H      2.06652098     -3.42585535      0.81511104
  H      5.12101355     -3.27660380     -0.98417540
  O      4.79596078     -2.48155299     -1.40794777
  H      2.56792928     -1.80346346      2.40367040
  H      4.75344142     -1.81734193     -0.70351045
          69
 Energy    -249.72161189494807     
  O     13.40133042      9.86444065    -10.15068521
  H     14.17305478      9.61488525     -9.62795158
  H     15.09607806      4.69495691    -15.27417645
  O     15.82262361      5.53223999    -11.24186261
  H     12.74323355      9.18151129     -9.97935984
  H     15.44065575      8.38748828    -12.68418717
  O     13.05363490      2.13288205    -10.43021632
  H     15.53430825      6.26899772    -11.80467648
  H     14.87309224      7.45259854    -13.77474790
  O     15.65184693      8.86223326     -8.65713715
  H     15.40516287      4.73848597    -11.60093858
  H     12.10045566      8.78683569    -13.76407239
  O     13.97913436     10.96392394    -12.63642980
  H     12.87803223      1.20892700    -10.27273276
  H     11.42290849      9.78502285    -14.73296537
  O     14.43327699      3.50078631    -12.45804194
  H     12.23900957      2.51453544    -10.80692795
  H     19.06825869      5.68906952    -11.33692160
  O     10.91688079      3.43726660    -11.48017192
  H     15.99686731      9.33980092     -7.90741644
  H     17.54345941      5.91897013    -11.45223339
  O     16.46901200      9.92927573    -12.86917427
  H     16.35919727      8.84467737     -9.32677960
  H     17.55231645      9.22768907    -16.14774007
  O     12.76770514      4.16485341     -8.40128428
  H     13.71769877     10.64731040    -11.75717773
  H     17.27219488      8.06980328    -15.15560434
  O     10.37234465      5.13576046     -9.22257006
  H     13.35943535     10.57804828    -13.26284764
  H     14.82956355      7.20294243     -8.75358151
  O     11.90329987      7.42466752     -9.80888992
  H     14.08759916      2.90998012    -11.77803255
  H     14.91991609      6.03583191     -9.76082969
  O     15.86465181      4.51377554    -14.72143187
  H     13.67076072      3.98444216    -12.80841530
  H     17.27167915      9.31071445    -11.36634039
  O     14.94085194      7.57231236    -12.82054443
  H     11.22496883      3.94044082    -12.24540852
  H     17.95854366      8.00100695    -10.92136887
  O     12.27156181      9.44734009    -14.45766842
  H     10.61329123      4.07599370    -10.82339059
  H     17.13143062      5.81385289    -14.58662906
  O     18.41279453      6.29476476    -11.67423420
  H     15.64244796     10.43793276    -12.82772109
  H     18.05369539      6.51507067    -13.56163846
  O     16.92336733      8.91271306    -15.50469023
  H     16.67446673      9.75437281    -13.79413772
  H     11.96914215      7.51013504    -11.59379767
  O     14.39501145      6.38484190     -9.02672853
  H     13.02310233      3.45746925     -9.00541776
  H     13.19364388      7.58283019    -12.53383893
  O     17.54019871      8.80211480    -10.58743029
  H     13.41780453      4.87355229     -8.50161933
  H     15.17678878      8.34066480    -15.70418639
  O     17.72165615      6.57218613    -14.46413480
  H      9.67854081      4.98146817     -8.58685265
  H     13.66841766      8.53728422    -15.31472657
  O     12.22566700      7.51232612    -12.52506886
  H     11.18968856      4.76139213     -8.84408117
  H     13.20967196      5.20222910    -16.95235976
  O     14.32648599      7.89187887    -15.60639113
  H     12.75982385      7.06049272     -9.53909194
  H     13.74140431      6.27338941    -15.96998433
  O     13.43843694      5.35135800    -16.03846050
  H     11.24528268      6.75628751     -9.58377164
  H     12.16169319      5.81695384    -13.17229220
  O     12.23646886      4.91363756    -13.51116691
  H     15.52136090      4.02405916    -13.96429257
  H     12.52564281      4.98618146    -14.42892469
          69
 Energy    -249.72144020379886     
  O     13.11252826      8.99582463    -16.36491574
  H     12.77905442      9.20869819    -17.23247242
  H     11.39715559      3.49628981    -10.01817614
  O     11.28158468      9.37070141    -10.82335621
  H     12.37903637      8.57832056    -15.87592251
  H     12.25951607      6.78749787     -9.83403900
  O     15.81427011      6.39902366    -10.91830583
  H     11.16249236      8.44145594    -10.58585308
  H     11.07958198      5.78181361     -9.87465538
  O     14.74947759      2.50082814     -9.40162298
  H     12.12824714      9.63860732    -10.44862165
  H     17.07635106      4.20522466    -13.01917132
  O     13.92234015      9.96130284     -9.85479903
  H     15.88361808      5.45136293    -11.09707435
  H     16.79935839      4.64638791    -14.45869210
  O     13.09918414     10.94536612    -14.22919470
  H     15.29386095      6.77409023    -11.64519915
  H     14.68216784      7.49026204    -13.80632823
  O     10.52966292     10.24323815    -13.25533511
  H     14.37218677      3.23963997     -8.89141633
  H     14.40172709      8.51404179    -12.68390179
  O     15.81931787      3.72976971    -11.67584626
  H     15.07092406      1.86441679     -8.76895554
  H     11.28798719      7.26777442    -14.25237397
  O     12.43748723      2.59299130    -11.09811150
  H     14.15503334     10.70607786     -9.30495333
  H     10.79891177      8.72757209    -14.34093517
  O     14.97019820     10.23991602    -12.39486831
  H     14.36266378     10.10213424    -10.70928667
  H     17.86250308      9.82530292    -14.36295892
  O     13.48552742      4.54279458     -8.12381883
  H     12.20084419     10.81347685    -13.89827912
  H     17.45121453      8.56458485    -13.56218894
  O     10.93234425      4.02233761     -9.34278141
  H     13.17072173     10.38966187    -15.01385146
  H     14.63826918      6.86243451     -9.68161849
  O     11.37611856      6.63922989    -10.20329815
  H     10.77055114      9.93473409    -12.36297938
  H     13.92413325      8.14147232     -9.20864353
  O     17.48307384      4.64248806    -13.77981845
  H      9.72721059     10.74930854    -13.16259519
  H     17.89446886      6.31769825    -13.15436520
  O     14.31034157      7.58292588    -12.92068619
  H     15.02639252      3.78765773    -12.22920532
  H     17.34981894      7.01826206    -11.90789010
  O     11.10937700      7.98462195    -14.87491722
  H     15.57522142      3.22967548    -10.88763580
  H     12.78619795      6.73412077    -12.90186750
  O     17.10650860      9.32274803    -14.07185523
  H     12.75073246      2.93113558    -11.94575215
  H     11.63203675      6.28139640    -11.99041647
  O     13.90764617      7.18134573     -9.12864109
  H     13.22728548      2.40722709    -10.57419299
  H     14.62387369      8.12647590    -15.88327483
  O     17.88984058      7.16904223    -12.69275840
  H     14.32462323     10.60566023    -13.02242473
  H     16.01419638      8.23680113    -15.16997217
  O     11.97740903      6.19664120    -12.88772628
  H     15.77310332     10.04389674    -12.89269443
  H     15.26938404      5.82175816    -15.60602032
  O     15.35967599      7.61561202    -15.51519766
  H     12.56705441      4.39674008     -8.38333426
  H     15.19606456      4.52476088    -16.43943526
  O     15.18739001      4.85612813    -15.54409040
  H     13.66940146      5.47428853     -8.29755319
  H     12.94797226      4.69940206    -13.20318007
  O     13.57241830      3.97143689    -13.33940701
  H     10.18442494      3.50509438     -9.05711971
  H     14.05788656      4.17866193    -14.14672014
          69
 Energy    -249.72032919394599     
  O     11.97589456      6.19279022    -12.13206063
  H     12.52787774      5.40917083    -12.23639592
  H     15.98800557      4.83473927    -15.20105201
  O     17.40746211      9.88362153    -15.17552382
  H     12.41127758      6.72058543    -11.44736090
  H     18.14648325      6.10119327    -13.35198900
  O     17.26053100      8.96830053    -12.55018864
  H     17.11140304     10.79338132    -15.02152081
  H     16.63227045      5.85113397    -13.31383582
  O     16.11193720     12.23772524    -14.78631695
  H     16.69065867      9.45630735    -15.66390179
  H     14.21547094      8.25807120    -12.05705130
  O     13.65749151      7.63533758    -10.46609108
  H     17.37883777      8.00807002    -12.56526158
  H     15.47856100      8.82994854    -12.76749091
  O     15.22926533      8.91481247    -16.66376463
  H     17.42743716      9.29480595    -13.44497790
  H     13.83722460     10.56752576     -8.58292328
  O     13.70972343     11.24954151    -16.03541245
  H     15.27772149     12.02358617    -15.22080070
  H     13.64684551     10.70571530    -10.11218229
  O     17.23155954      4.75180582    -16.55360368
  H     15.88769199     12.53003107    -13.89379916
  H     13.86412267      3.13604839    -12.33650143
  O     11.11942286      7.67066927    -14.22352341
  H     14.39408810      7.01432205    -10.34856163
  H     14.45064419      4.32157166    -13.13535994
  O     15.59169949      5.71129559    -10.61797286
  H     13.82870106      8.43792004     -9.95952002
  H     13.27602704      9.72891182    -13.45793034
  O     13.78122852      7.18486371    -15.06436960
  H     14.69981125      8.25270591    -16.19645628
  H     11.85480348      9.43524892    -13.96583595
  O     15.37834039      5.02804129    -14.47779627
  H     14.72927877      9.73831906    -16.61510037
  H     19.40056607      6.77532776    -15.26619475
  O     17.36255833      6.21075527    -12.79419835
  H     13.21353899     10.90937431    -15.27239374
  H     18.66258074      5.43398405    -15.40074650
  O     14.54143201      8.63625818    -12.88494677
  H     13.10505864     11.78954202    -16.53860847
  H     16.91029909     10.22996775    -11.25503294
  O     14.09235010     10.18607161     -9.41909031
  H     17.19264277      5.60643048    -17.01974236
  H     15.84132100     10.57337484    -10.18214554
  O     13.93081505      4.08774606    -12.34802652
  H     17.40690435      4.08670535    -17.21392754
  H     18.04412211      7.63418985    -17.35556361
  O     12.48180795     10.15409223    -13.82272255
  H     11.36695846      7.13491384    -13.44658842
  H     16.51656552      7.81814297    -17.50363971
  O     19.22270665      5.94632306    -14.80508159
  H     10.23159143      7.41561620    -14.45795343
  H     15.76469224     13.80546397    -11.77151167
  O     16.56282524     10.94457601    -10.70340738
  H     16.34372908      5.87619533    -11.20076496
  H     15.93603327     12.27573895    -11.61536411
  O     17.24336974      7.20974674    -17.68922337
  H     15.04719600      5.05933885    -11.07685005
  H     18.79658663      9.01944842    -15.85013655
  O     15.47908478     12.96793927    -12.12767456
  H     12.82181667      7.24199091    -14.99640654
  H     20.18425432      8.93232673    -16.52483212
  O     19.42312197      8.41241584    -16.27988604
  H     14.12035725      7.64925354    -14.28048773
  H     13.78934944     12.19711661    -11.75373551
  O     13.03684640     11.66696433    -11.45867615
  H     14.78681793      5.73341952    -14.77868643
  H     12.67415507     11.25008556    -12.24877403
          69
 Energy    -249.72003625289105     
  O     12.94677815     12.28959573    -12.99597136
  H     13.70666225     12.38839167    -13.59289966
  H     15.62080598      5.82571882    -13.32603635
  O     19.43698117      8.78379782    -13.22748382
  H     12.50330434     13.13468220    -12.97507801
  H     18.59240835     11.21980114    -18.12560522
  O     16.66930353     10.54067232    -11.67030591
  H     19.07878310      8.73638545    -14.12542895
  H     17.18935519     10.82069339    -17.60309415
  O     11.82926946      9.76857978    -13.63001118
  H     19.41249126      9.71571317    -12.98285645
  H     12.69190424      9.25704818    -16.78373261
  O     13.86203760      8.09133077    -14.37284183
  H     16.37885003     10.27869632    -12.55762438
  H     11.88788376      9.86298629    -15.59973264
  O     14.22439709      6.52953703    -12.14561086
  H     17.52984184     10.95436592    -11.79768296
  H     16.71636948      9.47332218    -14.70043085
  O     18.35664538      6.67005217    -11.94396650
  H     11.70329645      9.23385153    -12.83403147
  H     15.24700409      9.18655436    -14.26628493
  O     15.03718426     12.36258984    -14.79376396
  H     12.15975883     10.63327112    -13.35099398
  H     12.94287170     11.49263384    -16.93675881
  O     16.69004841      6.45512449    -16.49374684
  H     14.01060942      7.47118995    -13.64900752
  H     12.98375688     12.84431400    -17.69116883
  O     16.15991776      7.96106565    -10.72635577
  H     13.13706475      8.67477967    -14.11093048
  H     13.82168856      9.92493260     -9.88328209
  O     15.55664806     10.46232795    -17.95152299
  H     13.35755047      6.82948369    -11.84792887
  H     14.53138753      8.55977105     -9.79287944
  O     16.42437997      5.80383642    -13.85786306
  H     14.87655727      7.02120732    -11.62224650
  H     18.20370027      9.44345845    -16.32819971
  O     18.11427129     10.97900285    -17.33693992
  H     19.05780467      6.14096532    -11.57317945
  H     17.68661631      7.98121803    -16.07395932
  O     12.14545161     10.00563418    -16.51884673
  H     18.77941838      7.43884014    -12.36781138
  H     16.94944514     12.68512336    -14.85586738
  O     15.95947372      9.83733019    -14.22609220
  H     15.35824891     11.45421966    -14.67133098
  H     18.03457563     12.06943811    -15.75773661
  O     13.50716265     12.25709273    -17.15295571
  H     14.56698909     12.39359107    -15.63705004
  H     19.73585356     12.21929290    -12.35536901
  O     13.67430666      8.98696179     -9.68523051
  H     17.01284261      5.68061925    -16.94741386
  H     18.70102599     11.94516163    -13.46908242
  O     18.10917115      8.74700591    -15.66542836
  H     16.55590490      6.19353568    -15.56449968
  H     15.17020188     11.29977394    -10.89189829
  O     17.90058843     12.53657891    -14.92405677
  H     16.93427329      7.45348852    -10.99888166
  H     13.79541231     11.83011547    -11.33268945
  O     19.09948088     11.57808607    -12.66029203
  H     16.35065675      8.87602763    -10.97886946
  H     12.45078494      8.39751015    -10.73181067
  O     14.28788610     11.52430399    -10.56347919
  H     15.15976083      9.62716277    -17.66958051
  H     11.09981018      7.66310478    -10.90454275
  O     11.84098289      8.01534478    -11.39053060
  H     14.88458089     11.13834663    -17.80938926
  H     14.14539007      8.04403176    -16.08622567
  O     14.37664509      8.07561479    -17.02842768
  H     17.13787420      6.04898280    -13.25481360
  H     15.11512458      7.45952100    -17.09631773
          69
 Energy    -249.71956161055937     
  O     -4.48679676      0.51731511      1.36280616
  H     -5.24370310      1.02851815      1.08959642
  H      0.46284754     -5.68474973      1.00237095
  O     -3.19932458     -1.14302255      6.64870302
  H     -4.56845736     -0.35631452      0.93790714
  H      2.00098688     -1.27626614      4.21748635
  O     -3.64393678     -0.29944526      3.92382072
  H     -3.52362447     -0.73470906      5.83505265
  H      1.85976272     -1.37862238      2.68607992
  O      1.87979295     -2.44101474      5.79830735
  H     -3.59388771     -2.02334199      6.68703411
  H     -1.47610374     -2.31310803      0.61557528
  O     -3.96747953     -3.91359589      6.38354074
  H     -4.05161699      0.06242868      3.12621588
  H     -0.14601381     -2.54477620      1.41387830
  O     -0.78005401     -1.85067135      5.59316553
  H     -2.69251200     -0.23298153      3.77163383
  H     -3.19970298     -4.69002937      2.12052886
  O      1.18391184     -4.91316723      4.56307375
  H      2.26722166     -2.22834245      6.64378806
  H     -1.86897392     -3.89417063      2.09179601
  O     -4.99780110     -2.78940823      3.99469088
  H      0.93731341     -2.20529501      5.85594584
  H      1.70568372     -2.46631572      0.40677576
  O     -1.72507956      0.98001450      0.79912529
  H     -4.22311398     -4.56899292      7.02726981
  H      1.88584036     -3.55997713      1.52065630
  O      2.00217701     -5.35162522      2.02771913
  H     -3.14346075     -4.22787847      5.97519475
  H     -5.04831609     -3.73193798      2.57805812
  O     -0.45749976     -4.35320373     -1.83005420
  H     -0.77595337     -1.32196427      4.78563248
  H     -5.74908039     -4.80438840      1.70416952
  O     -0.36345446     -5.71538585      0.50436975
  H     -1.54688239     -1.56331696      6.10938070
  H      0.78888255     -2.91038884     -1.58537365
  O      1.77850772     -0.76517241      3.43160679
  H      0.24900058     -4.95274440      4.79597828
  H      0.76912181     -1.37690237     -1.38885562
  O     -1.10281737     -2.42125660      1.49870300
  H      1.53608524     -4.12679287      4.99865909
  H      0.07468564     -0.28852847      3.30429133
  O     -2.26623615     -4.73792692      2.36071348
  H     -4.75287909     -3.19963082      4.83253595
  H     -1.07458315     -1.06871933      2.60530449
  O      1.66585496     -2.63462048      1.36047262
  H     -4.53616875     -1.94181994      3.95768408
  H     -0.94418117      0.40598708     -0.65613610
  O     -4.97155744     -4.25556158      1.75774618
  H     -1.33216783      0.73573967      1.64460141
  H     -0.49139683      0.72072620     -2.09907010
  O      1.32694996     -2.15983883     -1.30286774
  H     -2.67955710      0.91186820      0.92828945
  H     -1.66757119     -3.02211278     -1.45293089
  O     -0.89080481     -0.33497634      3.21617029
  H      1.71518528     -5.24051759      2.95220409
  H     -1.68538563     -1.46553264     -1.38121384
  O     -0.58326986      0.01035792     -1.46946448
  H      2.77749772     -5.90617741      2.04531843
  H     -1.31742899     -3.56649196      5.15691674
  O     -2.16165660     -2.26364055     -1.11482969
  H     -0.42088713     -4.87263761     -1.00662895
  H     -1.86790302     -4.61014737      4.12194949
  O     -1.61725454     -4.48126601      5.04918146
  H     -0.44153676     -4.97845945     -2.54942070
  H     -3.80877320     -2.06281365     -0.36130277
  O     -4.58711989     -1.90531663      0.19074452
  H     -1.06660819     -5.53960363      1.14260380
  H     -4.75787623     -2.72892645      0.66170167
          69
 Energy    -249.71915882017956     
  O     12.43256978     13.12849926    -12.86492272
  H     12.12893948     12.27579118    -12.50576624
  H     12.81299028      7.38515358    -15.52518569
  O     20.30657638      8.26466435    -11.10622713
  H     11.65105251     13.63706532    -13.06420488
  H     15.40138835      9.44670544    -12.87505185
  O     17.52989131     11.18650949    -11.28770695
  H     20.08196276      7.41113982    -11.49912352
  H     14.98220484     10.92612819    -13.13657729
  O     12.30405245      7.95847217    -12.40117735
  H     19.56534144      8.49321665    -10.53409908
  H     14.78738864     10.91893016    -15.68985316
  O     16.90077279      6.78988839    -11.60600237
  H     16.69986890     10.89748245    -11.69951623
  H     14.31581459      9.47632881    -15.92941114
  O     14.29075003      7.30006402    -10.65034412
  H     17.43038170     12.12677184    -11.09350282
  H     15.47519095      8.66031138     -7.56427878
  O     19.40814932      5.97517932    -12.57049115
  H     11.54633102      7.45970126    -12.10329817
  H     16.25731085      8.87997352     -8.87777562
  O     14.60736500     12.17812471    -14.37859612
  H     13.02699485      7.74285811    -11.78543244
  H     22.01963409      9.89849863    -13.23665004
  O     17.50813909      9.36561282    -15.47123006
  H     16.53707883      7.15676436    -12.42825848
  H     20.84551451      9.26501061    -12.45382960
  O     17.74590164      8.82767720     -9.88389870
  H     17.72498948      6.35588020    -11.85570667
  H     17.68837300     12.81233464    -14.03322745
  O     19.62547625      7.67641581    -14.67285834
  H     15.13826859      6.94759264    -10.95196342
  H     17.02655478     13.74204601    -12.99810371
  O     13.31527703      8.00132880    -14.99668223
  H     14.49813435      7.80429728     -9.85571370
  H     17.25476112     14.68152079    -10.58429276
  O     15.22293193     10.29153655    -12.44707915
  H     19.45038773      6.52059641    -13.37731653
  H     16.00452947     13.84067322    -10.93989934
  O     14.96015824     10.12859435    -16.22249546
  H     19.83754364      5.14907705    -12.77462295
  H     13.68377398     13.53663400    -11.45010886
  O     15.36849145      8.88671664     -8.48450069
  H     15.39719559     12.73195731    -14.27607347
  H     14.21276925     12.63440252    -10.32235829
  O     21.08500910      9.71607525    -13.28303571
  H     13.85832877     12.62173571    -13.96443254
  H     19.63967770     10.83362446    -13.70870745
  O     16.98171191     13.46105341    -13.92034313
  H     17.89343021     10.09029156    -14.95901115
  H     18.37978385     11.19077320    -12.90311637
  O     16.96448884     13.92484963    -11.08566108
  H     16.69476730      9.69092086    -15.88504732
  H     11.91309597      9.84753731    -12.06279613
  O     14.32464148     13.50427473    -10.73080106
  H     17.73325010      9.68087728    -10.34459906
  H     12.40619721     10.78188477    -10.95769549
  O     18.76456114     11.23192397    -13.79051023
  H     17.45420331      8.14462621    -10.50721908
  H     14.39929762     10.57379770    -10.87625755
  O     11.80023319     10.73703291    -11.71162638
  H     18.90305346      8.15221785    -15.10250295
  H     14.41760530     10.24942318     -9.36307643
  O     14.00655063     10.81857797    -10.02195631
  H     20.21720374      8.35813606    -14.33027114
  H     16.47732294      8.37502928    -14.41250767
  O     15.85572229      7.92338004    -13.82278865
  H     12.89855680      8.02031729    -14.12032747
  H     15.02671485      7.81546331    -14.30293062
          69
 Energy    -249.71846073831864     
  O     10.12149987     11.46170797    -10.52901671
  H     10.59917167     11.66602986    -11.35004667
  H     12.07021011     12.53505979    -13.27784196
  O     14.59798993      9.00894837    -14.66873712
  H      9.30258724     11.95028563    -10.55930386
  H     16.00569624     12.06790030    -14.27131804
  O     10.44216831      8.60943664    -10.75609364
  H     15.22646543      9.53867263    -14.15728809
  H     16.27641689     13.54668963    -14.67153463
  O     14.01403448      6.83204435    -12.94115278
  H     14.48250087      8.18573450    -14.17896901
  H     15.77066141      9.41096141     -9.63745932
  O     14.41717494     12.19784472     -9.09363745
  H     11.03100472      8.41235149    -10.01742439
  H     16.92939463     10.41604635     -9.82631583
  O     14.68076608     10.95524251    -16.76986133
  H     10.22228252      9.54397601    -10.67120021
  H     14.37378974      7.79905369    -11.37191589
  O     11.45781658      7.61337256    -13.12261532
  H     13.06172757      7.04234213    -12.99009284
  H     14.17577124      9.28732029    -10.99787034
  O     12.42936521      8.28185767     -8.72806343
  H     14.09959618      5.89794436    -13.11005135
  H     13.78588133     14.86527385    -13.35585092
  O     13.94146091     10.98890015    -11.55783094
  H     15.09443104     11.51512230     -8.97532808
  H     14.42929313     15.12046834    -11.96041227
  O     12.02870630     11.09251991     -8.43111547
  H     13.57698091     11.86699422     -8.74031221
  H     17.88263608     12.10018235    -11.19919459
  O     17.37629044     13.74627865    -11.39536576
  H     14.72041678     10.15349890    -16.23320471
  H     19.04556783     11.08518578    -11.08038600
  O     11.60865464     11.83042226    -12.80339085
  H     15.18221474     11.62195968    -16.27937077
  H     14.03183566     13.20977849    -14.58182644
  O     15.78428728     12.75500612    -14.91728022
  H     11.41082335      8.34405913    -13.75036346
  H     12.65718877     13.12558349    -15.26229899
  O     16.23849287     10.13944272     -9.21100481
  H     11.03705728      7.92130030    -12.30602502
  H     14.89955395     15.28401583     -9.50764186
  O     14.40925989      8.41941477    -10.63424808
  H     13.16538782      8.26182477     -9.36216485
  H     14.71674026     13.77165622     -9.75238224
  O     14.39497317     15.43714996    -12.87237018
  H     12.61871476      7.62334132     -8.06466243
  H     16.91625450     10.73854496    -12.52386420
  O     18.09670655     11.15059910    -11.14604151
  H     13.10492684     11.26907297    -11.94466269
  H     15.37216253     10.85668088    -12.55843118
  O     13.10286231     13.46389760    -14.47597066
  H     14.06595916     11.46672433    -10.72736696
  H     13.06022763     11.59398176    -16.84271969
  O     14.93330629     14.61442297    -10.18702219
  H     11.33511765     11.27591451     -9.07684547
  H     11.78463659     12.09088022    -17.56701412
  O     16.15438835     10.70490772    -13.11300895
  H     12.13420729     10.13283304     -8.41958850
  H     16.00680932     15.33273421    -13.53072220
  O     12.15862140     11.93871813    -16.70363336
  H     16.59630528     14.05670925    -10.91958347
  H     17.26215096     15.90871396    -14.23276750
  O     16.89899733     15.11184600    -13.85653013
  H     17.36097721     14.20298549    -12.24481539
  H     12.84476794      9.61202150    -14.71476636
  O     11.91813612      9.89342045    -14.74291539
  H     11.59021125     11.07572559    -13.41049348
  H     11.84308349     10.51064155    -15.48044356
          69
 Energy    -249.71843159737872     
  O     -1.30242733      0.79459122      3.68496876
  H     -1.46649750      0.17901732      4.39456596
  H     -2.51596398      4.79891705     -1.83162562
  O     -4.44619906      1.95103478     -1.88435558
  H     -0.40547459      1.14526087      3.82575961
  H      2.35155552      5.05325179      4.63613558
  O     -3.14897890      4.06482016     -3.34683979
  H     -4.12772945      2.25011797     -1.01633732
  H      2.39258086      4.73446226      3.12336607
  O     -0.29589531      0.03964727     -1.54021436
  H     -5.38143683      1.78784540     -1.78902715
  H      0.03234482      3.58409897      1.53835552
  O      0.64222079      2.21833183     -3.06327719
  H     -2.55474315      3.61256789     -3.95677164
  H      0.50266688      3.50543774      0.05249708
  O     -0.82761421      6.71127271      0.86762380
  H     -3.69642497      3.37123858     -2.95658731
  H     -3.35648355      3.01541562      1.39415546
  O      1.25203048      1.75103145      3.93727108
  H     -0.72960576      0.24154876     -0.69734505
  H     -2.64492690      2.01856239      0.48566339
  O     -2.48395670      0.42678801     -3.31244350
  H      0.56604162     -0.32372856     -1.30504548
  H     -2.16206378      3.82969250      3.10201336
  O      2.51397994      1.35007689      1.42576310
  H      0.29154569      1.49069661     -2.52972169
  H     -2.47407951      2.36694832      3.43100569
  O      2.29079859     -0.57280732     -0.54818996
  H      0.03945602      2.32424521     -3.80959233
  H     -1.37250365      0.64677926      1.81180831
  O      3.14697343      5.07745423      1.59458091
  H      0.04010840      6.83162199      0.46466596
  H     -0.68565445      1.61886664      0.83265450
  O     -2.14341722      4.94020531     -0.94840428
  H     -1.37558347      6.26119963      0.21007809
  H     -0.69858532      5.54213004      2.20050937
  O      1.91784435      4.54821588      3.95352137
  H      1.79943479      1.45714057      3.19828032
  H      0.19408651      4.83101848      3.28214030
  O      0.38568005      2.99219607      0.86032293
  H      1.46308476      2.68563011      4.05325745
  H      1.40021425      5.84218891     -0.87101625
  O     -3.28180534      2.74615233      0.46745462
  H     -3.17623948      0.83442427     -2.77667982
  H      2.10259330      7.21115304     -1.03250502
  O     -2.88678607      3.18820625      3.14037909
  H     -1.78955630      0.13797232     -2.70608146
  H      0.58537567      3.73670209     -2.11401019
  O     -1.28467389      0.85439160      0.87378744
  H      1.75901141      1.93617375      1.25161744
  H     -0.43839568      4.65259645     -1.36598103
  O     -0.61814808      4.75971104      2.76742892
  H      3.29113729      1.84125602      1.13255726
  H     -1.55428301      2.14368618     -5.85410103
  O      1.78379100      6.59118560     -0.38136318
  H      2.33756480      0.01836222      0.22224358
  H     -1.85200489      1.60073502     -4.43428814
  O      0.50594150      4.47244248     -1.49382819
  H      2.70482201     -1.39289775     -0.29127839
  H      3.98878184      2.62456958     -0.71503272
  O     -1.44841211      2.33930410     -4.92708418
  H      2.71744925      5.66976127      0.96474337
  H      5.33531508      2.97643133     -0.04565774
  O      4.39180124      2.98541528      0.09437458
  H      3.59463128      4.40484406      1.06789623
  H      2.43479153      1.97820173     -2.51778803
  O      3.21732921      1.72158996     -2.01391144
  H     -2.51638588      4.25011204     -0.38504126
  H      3.00784229      0.85525003     -1.64347430
          69
 Energy    -249.71797358750092     
  O     -0.42477032      2.77758638      1.73684257
  H      0.19288584      2.18801561      2.18730749
  H      1.90595727      1.23172602     -0.28027495
  O     -3.07290192      4.34378458     -0.60760736
  H     -1.26367974      2.33175096      1.53728050
  H     -0.19879507      4.23496746     -2.61317798
  O      3.32831977      7.84286948      0.91075547
  H     -2.30130757      4.77791316     -1.00086091
  H      0.27400143      2.77599890     -2.35919350
  O      0.85666335      7.29906957      2.08886710
  H     -3.33086370      4.92335142      0.11985290
  H     -0.81816768      8.30971454     -0.88217781
  O     -0.81085750      5.54473805     -1.63832832
  H      3.89590427      8.60737712      0.86000450
  H     -0.81989563      9.03654956     -2.25068246
  O      3.13860998      4.02539437     -0.49283789
  H      2.99969980      7.67924619      0.00836840
  H     -2.62043112     -0.48026381     -2.01266643
  O      0.73214458      4.96725040      0.53039677
  H      0.89632009      6.95047530      2.98864287
  H     -2.48599312      1.05887398     -2.12219437
  O     -3.31756192      6.11426236      1.59033312
  H      1.74420139      7.56583899      1.81568432
  H      2.31147897      3.16922516      3.42388877
  O      0.16223575      1.56772064     -0.93961126
  H     -0.24448045      5.38414611     -0.86615679
  H      3.12198423      4.45013148      3.07042174
  O     -1.56657551      4.89691778      3.26969708
  H     -0.76928911      6.48851429     -1.82689664
  H     -2.95701842      3.24641239     -2.21007188
  O     -1.41979941      8.10036997      0.71341989
  H      3.12878743      4.28793505     -1.41898078
  H     -1.78045804      2.93004335     -3.16258039
  O      2.70062379      1.37236997      0.25071080
  H      2.31558682      4.37238639     -0.11337712
  H      2.00331708      0.63377539      3.26932336
  O      0.18745164      3.45417044     -3.04414473
  H      0.77125687      5.74098006      1.10644980
  H      2.18604908      1.35012271      1.90858826
  O     -0.43825214      8.30069237     -1.78081025
  H      0.32651748      4.24349071      1.02613400
  H      1.74557290      4.38694700     -3.18518323
  O     -2.26864729      0.28627872     -1.56941074
  H     -4.09892472      6.35592547      2.08147734
  H      2.99073480      4.88706134     -3.94609735
  O      2.47526556      4.07891378      3.68978810
  H     -2.71252953      5.68920530      2.22443043
  H      1.39450224      5.24427217      4.27383150
  O     -2.65420721      2.62843142     -2.88846962
  H     -0.58916153      0.99887846     -1.15204250
  H      0.93436056      6.15547108      5.43974503
  O      1.76596324      1.41973239      2.78518847
  H     -0.06925797      2.02688901     -0.12428408
  H      3.97790668      6.15892536      1.59049284
  O      2.53661829      4.94467878     -3.10875682
  H     -1.20742802      4.09987872      2.86215268
  H      4.00008521      4.75275803      0.99148270
  O      0.76450365      5.94600296      4.52603059
  H     -0.84411249      5.28190743      3.77997817
  H     -2.94325722      2.71236306      0.29868314
  O      4.15010286      5.23719232      1.81459650
  H     -0.65451905      7.89917663      1.27145646
  H     -2.71988867      1.20340380      0.06785706
  O     -2.75271049      1.87933879      0.75459954
  H     -2.11094629      7.47852059      0.96719149
  H      2.34212981      6.62308450     -2.11025338
  O      2.27365391      7.41226235     -1.56173111
  H      3.01983810      2.24731086     -0.01127449
  H      1.38300576      7.76245621     -1.68857409
          69
 Energy    -249.71773503311135     
  O     10.64755877      9.43530518    -10.47059157
  H     10.36405254      9.35113314    -11.39964324
  H     16.05822481      6.86585846    -16.91268229
  O     13.95385629      7.73475498    -15.17718956
  H     10.06043942     10.06153982    -10.05655205
  H     16.66746670     11.66204506    -14.15383093
  O     18.62360923      9.34623476    -11.30184468
  H     14.72322786      7.95763166    -14.62611353
  H     15.20406982     12.10706351    -14.21505959
  O     17.63105578     10.34224938    -15.12658069
  H     14.29452167      7.61993506    -16.07127821
  H     16.09825108      8.95818476    -12.91682515
  O     12.56086698      9.87447070    -14.16211314
  H     17.72465169      9.69920799    -11.25252269
  H     16.90430423      7.83304631    -13.65390180
  O     16.15430478      5.41900253    -11.51718300
  H     18.56772332      8.40717993    -11.08555965
  H     10.81299751      7.53053084    -10.29135992
  O     12.91453623      5.65562945    -13.77649815
  H     18.50668464     10.17634263    -14.75943565
  H     11.95272434      6.52668041    -10.54167007
  O     15.97602022     10.21552698    -11.59115841
  H     17.05015550      9.68062977    -14.72121353
  H     19.13480350      7.76895299    -13.94160168
  O     15.64765683     10.29180782    -17.06833742
  H     12.91432964     10.64283692    -14.62666714
  H     18.68199887      6.69017469    -12.93342532
  O     15.26897409      4.25165577    -13.99816867
  H     12.96898322      9.10320223    -14.58148052
  H      9.45985774      5.59135682    -13.10509849
  O     19.89280387      9.49512447    -13.68606639
  H     15.95949436      4.95763949    -12.34031466
  H     10.44268491      6.23165499    -12.09525981
  O     15.49999750      7.43216899    -17.47588245
  H     15.34647584      5.89635607    -11.28380767
  H     16.35560916      5.24918732    -15.22420286
  O     15.96618745     12.06743087    -13.62617464
  H     13.20090624      6.39145345    -14.34087279
  H     17.59742583      6.15991194    -15.21245898
  O     16.13521182      8.41232545    -13.71364338
  H     11.96421597      5.74251678    -13.63511111
  H     17.68002348      6.09055283    -11.16524107
  O     10.99127992      6.59843515    -10.47001099
  H     15.96468600     10.96638777    -12.20621588
  H     19.04921703      5.95829807    -10.45724990
  O     18.59045099      6.97625269    -13.85201948
  H     15.05720482     10.02973304    -11.35987415
  H     13.62668909     12.56720294    -16.17704962
  O     10.24734923      6.12593245    -13.04423780
  H     15.60000184      9.35631515    -17.29441718
  H     14.47879256     11.27803636    -16.19828740
  O     16.89788429      5.81759235    -15.78437719
  H     16.45946958     10.39293670    -16.55079782
  H     13.44325405      6.36593484    -12.13427894
  O     18.56503785      6.49110472    -11.08180286
  H     14.38812400      4.65775668    -13.93945921
  H     13.64244278      7.68641486    -11.33983204
  O     13.90234684     11.82936629    -15.63935910
  H     15.12966229      3.31111254    -14.08349979
  H     12.46123696      9.56926591    -10.99035735
  O     13.70440851      6.72377320    -11.27440291
  H     20.79124306      9.79553899    -13.58349285
  H     13.07821827      9.68594346    -12.40486996
  O     13.28946991      9.49520065    -11.47941721
  H     19.48165622      9.52469206    -12.80188250
  H     10.10976680      8.06360994    -13.23617098
  O     10.11004214      9.01849953    -13.10147862
  H     15.47531228      7.02011633    -18.33528030
  H     10.87895081      9.36417848    -13.57659729
          69
 Energy    -249.71758061897708     
  O     -4.26689742      1.96985493      4.36598592
  H     -4.74115232      1.24768920      4.79804306
  H     -3.46262886      1.82727774      0.41294877
  O      0.70434943      4.62922644      0.89940550
  H     -4.79218382      2.77649138      4.45215807
  H     -6.71775500      2.35854936      0.15621570
  O     -0.69250889      0.08904696      2.30213260
  H      0.96529856      3.75282901      0.56392987
  H     -7.22459852      3.67908828     -0.45732285
  O     -4.38644350      0.25531092     -1.71467438
  H      1.25704886      5.26794146      0.45724022
  H      1.70574176      1.65891380      0.97148804
  O     -2.61204897     -1.65939506     -0.97135135
  H      0.22368371      0.23682120      2.56733545
  H      0.70956625      1.52933549     -0.19876710
  O     -4.29599069      0.97409844      1.75656561
  H     -0.72502612      0.25366314      1.34779332
  H     -5.71433451      5.16980772      4.82514881
  O     -7.78614669      2.97306770      2.97108958
  H     -5.21631138      0.27838277     -1.22000506
  H     -5.34041228      4.61215917      3.42785039
  O     -7.62862128     -1.43581444      1.72008016
  H     -3.92246204      1.06832626     -1.47340817
  H     -1.97799734      3.66826390      2.09130756
  O     -1.70512755      2.46747909      3.44727507
  H     -2.59442811     -2.38858487     -1.58517109
  H     -1.15540023      4.55058288      1.12732082
  O     -6.46468866      0.57526787      0.15971604
  H     -3.28534248     -1.03380097     -1.29502199
  H     -5.32336740      4.31006451      1.18000841
  O     -5.28547673     -2.03147540      3.31371823
  H     -3.86420531      0.11331916      1.83656157
  H     -3.86761176      4.72464519      1.56359378
  O     -2.98158874      2.26311187     -0.30800813
  H     -4.34163697      1.36638669      2.63661754
  H     -5.69583956     -0.69966956      6.16151879
  O     -6.75373033      3.31915925      0.29096764
  H     -7.52934946      3.14708347      2.05834329
  H     -5.48705484     -0.92620694      4.64522963
  O      1.39900477      2.09782683      0.16861618
  H     -7.17906540      3.48960834      3.51425104
  H      0.91596968      3.99023321      2.72923839
  O     -5.68165149      4.36932503      4.30928045
  H     -7.83435247     -0.80548536      2.43698287
  H     -0.00381762      3.19544768      3.67330147
  O     -2.05516421      4.27556908      1.33973227
  H     -8.37362613     -2.02652048      1.65262094
  H      2.71310587      0.77092842      3.26117110
  O     -4.79598244      4.81249004      1.81249351
  H     -1.42950689      1.62006126      3.07221113
  H      1.64542498      1.88456071      3.13174952
  O     -5.65729525     -0.24708461      5.32318430
  H     -2.54264730      2.31663526      3.90428233
  H     -7.98540663      1.26096200      3.46616298
  O      0.92122347      3.43510362      3.51847568
  H     -5.72305716      0.72035213      0.77091932
  H     -7.29057063      0.21138054      4.36907738
  O      1.92010147      1.01368723      2.79166724
  H     -6.98020916     -0.14009941      0.54992635
  H     -2.84444144     -1.65781479      0.89331473
  O     -7.98767933      0.32423331      3.71417156
  H     -6.01040424     -1.93741503      2.68380300
  H     -2.12358378     -1.08263308      2.14522757
  O     -2.95208181     -1.47527377      1.83608499
  H     -4.46276893     -1.98731505      2.80958132
  H     -1.54831100      1.19429271     -0.47013445
  O     -0.85324710      0.51853666     -0.45157672
  H     -2.63173813      3.07468585      0.07997828
  H     -1.27047684     -0.29966292     -0.74382983
          69
 Energy    -249.71727466741507     
  O     12.97676389     13.53002602    -13.09369984
  H     12.91770246     12.68125656    -12.62354038
  H     19.11305217     11.07654273    -15.12242237
  O     18.80127395      8.12836960     -9.78980241
  H     12.10553298     13.91858068    -13.07148431
  H     13.02390606      8.28440556    -14.15969052
  O     17.76319598     11.43985945    -12.08206851
  H     18.33230587      7.30942039     -9.99596755
  H     12.62974813      7.55233397    -15.46109727
  O     12.84399494      8.45133482    -12.39984146
  H     18.12148412      8.80789975     -9.71118606
  H     15.58079002      9.89937154    -13.68208678
  O     15.41506413      7.77153191    -11.30523036
  H     16.94875714     11.26973516    -12.58297512
  H     15.22201296     11.36584654    -14.11353716
  O     17.41470217      5.84959040    -10.82912990
  H     17.89141000     12.39601509    -12.08637422
  H     14.53647365     11.03729288    -16.31325779
  O     14.55152448     12.57953485    -15.30376397
  H     13.59024759      8.09302677    -11.90222508
  H     14.08841466      9.55772684    -16.18472966
  O     18.25984295      7.99900285    -15.20222035
  H     12.77701242      9.37442462    -12.12324662
  H     14.58308045     11.94893884     -8.50333265
  O     16.61078411      9.97339335    -10.04412772
  H     15.59079687      7.88650064    -12.25305783
  H     15.42149666     11.20578471     -9.56714507
  O     17.25520287      9.55429626    -17.30626711
  H     15.96808706      7.02907353    -11.03335107
  H     21.56472893      8.13012725    -11.37234563
  O     18.97317743      6.30124827    -13.01594377
  H     17.45451577      4.92763244    -10.59010494
  H     20.06678849      8.24483422    -11.00175805
  O     18.67352609     11.58579663    -15.81384380
  H     17.92277303      5.94700313    -11.65484849
  H     17.64655891     12.98748263    -15.32588055
  O     13.25004358      8.18091567    -15.10101836
  H     15.39937308     13.05648276    -15.28380182
  H     17.29701162     13.92313740    -14.14248657
  O     15.45317500     10.80218061    -13.36396725
  H     13.95788210     13.01609373    -14.68361411
  H     18.13883411     15.00953596    -11.96276346
  O     14.68074692     10.14722483    -16.66426372
  H     17.99442000      8.42400378    -16.02810946
  H     16.79150833     14.24867481    -11.89937307
  O     14.73340252     11.88145086     -9.44272733
  H     18.70985984      8.67862709    -14.67604541
  H     14.44606993     14.01174862    -11.90841873
  O     20.69226013      8.21294328    -11.74754354
  H     17.09098016     10.47373601    -10.72190300
  H     15.03360274     13.39070708    -10.62020770
  O     17.00891374     13.65038105    -15.01939822
  H     16.14937410      9.24273884    -10.48232628
  H     20.03472416      9.40526097    -13.02628229
  O     17.69310462     14.22409275    -12.26751542
  H     17.32496035      9.54754430    -18.25746625
  H     18.91633601     10.46977155    -13.06372681
  O     15.17327304     14.08153298    -11.27906619
  H     16.32720208      9.76111836    -17.09749540
  H     14.05453006     10.98197479    -12.28618528
  O     19.49235754      9.93129071    -13.62605084
  H     18.72715749      6.69981744    -13.85929394
  H     13.61015684     11.35851815    -10.85352467
  O     13.27272809     11.15536100    -11.73446692
  H     19.66698086      6.86631825    -12.65201150
  H     16.62731497      8.00176397    -14.47819994
  O     15.81062572      8.12816287    -13.97933989
  H     18.22384583     10.94143655    -16.37285185
  H     15.04767873      7.97622833    -14.54947492
          69
 Energy    -249.71686605391284     
  O     -4.21561058      3.82657050      3.12269253
  H     -4.87026747      3.96689843      3.80268604
  H      1.92202082      3.66268535      4.01331694
  O     -2.68685270     -2.65215285      0.89191979
  H     -3.35842274      3.75746716      3.57357186
  H     -4.27691897      4.53268530     -1.00857378
  O     -1.41964770      4.30942021     -2.24979553
  H     -3.24238104     -3.42351884      0.96306812
  H     -4.97361135      4.58619904     -2.38965946
  O     -3.50781065      1.56299423     -1.16526954
  H     -2.98877674     -2.15934780      0.10729153
  H     -0.34673512     -1.59936219     -1.65531410
  O      1.64724778      0.39754617      4.30961602
  H     -1.12554347      3.38967107     -2.25390382
  H     -0.26839983     -1.67630005     -3.19897118
  O      1.09427181      5.71726146      1.56303183
  H     -2.38312367      4.27993367     -2.29650552
  H     -1.37705558      3.31871499      3.18956111
  O     -1.17428989      3.02038742      1.46820914
  H     -2.56111247      1.58355659     -1.37147499
  H     -1.51180465      2.56483112      4.53473574
  O     -1.12768172      0.86588880      4.90783438
  H     -3.88537890      2.38637227     -1.49915754
  H     -3.69923850      1.57071631      0.61519267
  O     -3.29419988     -1.24630450     -1.35023142
  H      2.18823579     -0.28124020      4.70600427
  H     -3.99241845      2.27160934      2.00291997
  O     -2.02092125     -0.50877403      2.58612075
  H      1.38116833      0.06661105      3.43472419
  H     -0.69703307      0.65103678     -2.17067427
  O      0.67147072     -0.36544694      1.86245512
  H      1.78049292      5.09120243      1.30318706
  H     -0.10965587      1.66028128     -1.15450038
  O      2.55235898      3.01812655      3.66867445
  H      0.94743907      5.56919875      2.50467581
  H      0.59044659      5.62713635      5.07242038
  O     -4.30144044      4.12679635     -1.89416396
  H     -1.98717301      2.50855393      1.37578439
  H     -0.21906000      4.51456108      4.37060638
  O     -0.65961745     -1.18692948     -2.48039710
  H     -1.28192985      3.86927477      1.01509440
  H     -4.14389339      4.82659784      1.46193042
  O     -1.63452369      3.43196967      4.11910227
  H     -0.17574365      0.71605861      4.85990858
  H     -3.08570317      5.45330362      0.52358851
  O     -3.54433303      1.53591713      1.57061718
  H     -1.51353478      0.29767871      4.22751673
  H      1.75254264      2.44491190      0.42533274
  O     -0.78968857      1.55086014     -1.83390896
  H     -3.54799906     -0.31521070     -1.31603748
  H      0.24491017      2.31411529      0.76632408
  O      0.61860038      5.00461758      4.34978740
  H     -2.48056500     -1.27472042     -1.86944441
  H      0.38389165     -1.72599259      0.57257964
  O     -4.01818778      5.19312375      0.58100235
  H     -2.60189179      0.19353148      2.25802747
  H     -0.86357585     -2.57879284      0.28186299
  O      0.97758715      1.88659144      0.29200784
  H     -2.28687999     -1.31554991      2.12821088
  H      3.94963039      3.76286138      0.91397005
  O     -0.01415298     -2.30696040     -0.08808942
  H      0.83618044      0.38584389      1.27416790
  H      2.93405112      3.37934713      2.01997508
  O      3.02154780      3.62224201      1.07957815
  H     -0.27098767     -0.36472370      2.08942772
  H     -1.19040076      5.18178306     -0.67861568
  O     -1.29723134      5.47843946      0.23802073
  H      2.25004265      2.14670367      3.95152492
  H     -0.43078866      5.69533757      0.61051101
          69
 Ord_Energy   -249.716797    
 O    7.22482109       4.28262615       3.10144472    
 H    8.06413269       3.94420099       2.76696372    
 H    7.00218868       5.05661678       2.55926156    
 O    6.54372072       5.81585646      -1.07876670    
 H    6.05604649       6.50685024      -1.54399645    
 H    6.08341455       4.98485470      -1.27038932    
 O    1.12779415       3.93728352       3.26342630    
 H    1.04380345       4.88119507       3.44135880    
 H    1.96737671       3.67466402       3.66551590    
 O    5.26249504       3.40679264      -1.70594323    
 H    5.99031162       2.78360581      -1.81398332    
 H    4.69457436       3.05736804      -1.00388265    
 O    3.35522795       5.31029510      -2.63428283    
 H    3.94452810       4.56387997      -2.47514319    
 H    2.55298400       5.14980364      -2.11565971    
 O   0.940572619       2.68505836      0.846484482    
 H   0.948709667       3.13714814       1.70886087    
 H   0.205846488       2.07774425      0.863906145    
 O    1.84752393       6.81172180       1.03332436    
 H    1.44839597       6.93648672       1.90137935    
 H    2.57882619       6.19119024       1.18432498    
 O    1.18180025       4.93656445     -0.959056795    
 H    1.25028253       5.66478300     -0.327212691    
 H    1.02586925       4.14826965     -0.427606851    
 O    7.60654497       1.84049952      -1.72737432    
 H    8.11491966       2.64376664      -1.51190007    
 H    8.05061722       1.41974080      -2.45899653    
 O    6.42607260       6.36868668       1.59477246    
 H    6.15958786       7.27097559       1.80894744    
 H    6.50798941       6.27402210      0.634345889    
 O    5.28171825       8.79090786       2.33554697    
 H    5.59019804       9.68261242       2.46951294    
 H    4.71394014       8.80382061       1.54200172    
 O    4.73236513       7.58284712      -2.30587673    
 H    4.75996590       8.06554794      -3.12735271    
 H    4.17533493       6.79631186      -2.46168256    
 O    5.56453848       2.03519821       2.44113493    
 H    4.95909166       2.19702005       1.70187795    
 H    6.09494638       2.83319855       2.58000112    
 O    3.77085185       3.51876569       4.05637121    
 H    4.35642719       4.02646685       4.63090420    
 H    4.30989361       2.83055449       3.64448261    
 O    3.93269706       5.11292553       1.67068839    
 H    3.82028461       4.70913219       2.54074216    
 H    4.77885771       5.57599783       1.66329825    
 O    8.83318233       4.12895775     -0.918256938    
 H    9.07257366       4.01052952       8.45106039E-03
 H    8.18401814       4.84304428     -0.960673988    
 O    3.75466156       8.63792324      0.146267816    
 H    4.07001448       8.33054447     -0.711791873    
 H    2.98724389       8.09387493      0.372227699    
 O    7.87318611       1.13253522       1.03829467    
 H    7.03596449       1.23623693       1.50857329    
 H    7.68235493       1.22899866       9.69498828E-02
 O    3.71616077       2.69767380      0.449734896    
 H    3.78870273       3.61263514      0.768108547    
 H    2.77614188       2.48798132      0.498081177    
 O    1.25381899       6.76382685       3.79546237    
 H    2.18590283       6.93179655       4.02026558    
 H   0.730083406       7.26975346       4.41109180    
 O    5.73099518       5.17013359       5.22926569    
 H    6.19847631       5.13542128       6.06021404    
 H    6.34577942       4.84808016       4.54826880    
 O    3.90288925       7.23490906       4.32256508    
 H    4.55215931       6.61444569       4.67173624    
 H    4.36895037       7.79317999       3.68777037    
 O    9.43228149       3.22035694       1.77076471    
 H    8.94881535       2.40921354       1.52738714    
 H    10.3184252       2.95473671       2.00148273    
          69
 Energy    -249.71676292806757     
  O     12.97945846      9.52576230    -15.97155662
  H     13.36894026      8.70377667    -16.30267102
  H     16.74721065      4.39777499    -15.92312121
  O     16.81287161      5.49198422    -12.99748418
  H     13.61923554     10.21305086    -16.18603102
  H     17.97999844      9.80528370    -17.13210221
  O     18.59559159     10.91292882    -13.69289112
  H     16.65037488      4.84211070    -13.69515086
  H     16.50103271     10.24270693    -17.26942542
  O     19.53679631      9.93779480    -16.01136453
  H     17.76302357      5.65820803    -12.96238697
  H     16.36665985      6.94671412    -14.09941871
  O     13.67431546      5.13270631    -15.06147194
  H     17.64580402     10.73758219    -13.75699538
  H     17.28131929      7.55842485    -15.17470517
  O     16.28000653     10.27260456     -9.97275104
  H     18.78831540     10.91705192    -12.74896243
  H     11.14389348      9.40507052    -13.41874251
  O     15.01533767      6.76767033    -11.34568514
  H     20.29668281     10.43666151    -16.29851801
  H     12.36285758      9.28254220    -14.35967168
  O     15.93504361     10.19356805    -13.95392653
  H     19.25223238     10.32101297    -15.16150479
  H     18.18885504      7.72784956    -10.29650399
  O     17.61873829      5.37353105    -17.08219038
  H     14.48324279      4.61164488    -15.09991688
  H     18.98608227      8.89273853    -10.91469915
  O     16.59660568      7.52654226     -9.27293968
  H     13.78731876      5.82045511    -15.73140125
  H     13.00171330      5.89981935    -13.55607164
  O     19.07149738      7.21600270    -15.56089036
  H     16.37651747      9.40107559     -9.56757821
  H     12.41128820      7.24319207    -13.05409308
  O     16.29882515      3.89363068    -15.22088124
  H     15.52561975     10.18861069    -10.57025579
  H     19.34628814      6.92418131    -12.20470871
  O     17.17375684      9.65765881    -17.63928642
  H     14.14910811      6.56563103    -11.73326068
  H     20.27333165      5.77295505    -12.66078443
  O     16.40747806      7.63786685    -14.77084031
  H     15.66454580      6.26782804    -11.85973848
  H     19.22550171     11.36629065    -10.26322450
  O     12.05500065      9.12528966    -13.44982147
  H     16.11548859      9.29410047    -14.26908237
  H     17.87160763     10.68613082    -10.56595177
  O     18.92588946      7.93040152    -10.88532155
  H     15.36528111     10.08971101    -13.18241192
  H     16.34242682      7.41813915    -19.70499672
  O     12.74874382      6.39054849    -12.75941828
  H     18.25869607      5.93975701    -16.62910485
  H     16.68434034      8.16438852    -18.39409926
  O     19.52979274      6.30404243    -12.93401954
  H     17.18360759      5.94184943    -17.72896150
  H     13.47800395      9.43997906    -12.30434687
  O     18.79211689     10.77459389    -10.87262483
  H     15.97218907      7.21264592     -9.95067378
  H     14.59100952      8.56114192    -11.68535287
  O     16.36208610      7.31941460    -18.75709903
  H     16.41470638      7.02679018     -8.48159510
  H     15.22875599     12.25139530    -16.30047660
  O     14.32100270      9.47860539    -11.83382506
  H     19.36254393      8.12335820    -15.71743819
  H     15.46153232     10.98650131    -15.44174679
  O     15.22619970     11.29795177    -16.33369566
  H     19.33281476      6.96512976    -14.66486378
  H     14.93020197      7.22753739    -17.52712643
  O     14.43264067      7.27441307    -16.70329556
  H     16.38946532      2.97153396    -15.44598616
  H     15.09559650      7.40526603    -16.00760141
          69
 Energy    -249.71616266694912     
  O     16.38670937      9.47246007    -16.53765199
  H     15.68737844      9.79550280    -15.95458104
  H     16.59571762      4.76598973    -15.78232172
  O     15.82386811      4.17713928    -12.76895133
  H     17.05686966     10.16639939    -16.57991948
  H     16.95610446      5.35923068    -11.79771381
  O     16.17555758     13.66676649    -12.16594118
  H     15.09572152      4.60676004    -13.25257525
  H     17.13974641      6.72986749    -11.10071861
  O     19.65906038      8.43538620    -13.34040089
  H     15.47186064      3.37205891    -12.39876400
  H     20.07624965      8.61026803    -16.43177579
  O     15.22770762      5.25838054    -16.93246298
  H     16.29246819     14.56147625    -12.47433061
  H     20.16837293      9.13434078    -14.98336414
  O     14.71191022     10.49465995     -9.71740704
  H     16.56018253     13.08351974    -12.84247306
  H     17.42176414      6.63367171    -14.90333579
  O     15.05528817      7.84837843    -13.25425944
  H     18.84551069      8.14662623    -13.78633295
  H     17.13936538      8.09270358    -15.41711010
  O     17.08932825     11.75830337    -13.92256204
  H     20.02417931      7.64124747    -12.93332093
  H     14.75717827      9.44906579    -14.01905656
  O     20.16453289      5.88099110    -12.33993942
  H     14.80863707      4.79610252    -17.65366607
  H     14.31293609     10.89639228    -13.73435176
  O     14.01441276      5.49773056    -14.29801053
  H     15.80244822      5.93466441    -17.33353470
  H     16.94567816      8.99444120    -11.18046217
  O     19.98314580      5.28449026    -15.16062073
  H     15.50946106     11.05458779     -9.71471848
  H     15.65593459      8.97895933    -10.33562286
  O     17.28736917      4.73931437    -15.10884298
  H     14.27874128     10.62918297     -8.87855251
  H     17.55165173     11.38627550    -10.49303955
  O     17.61303957      5.94533370    -11.40323107
  H     15.89189842      7.69627638    -13.72031226
  H     16.75171214     12.69505335    -10.61941803
  O     20.17317314      9.41535555    -15.90849957
  H     15.30529937      8.01492316    -12.33671139
  H     18.81892401      9.62559652    -12.25117617
  O     17.39479869      7.56476324    -14.65040306
  H     17.61764903     11.73626985    -14.72913380
  H     17.80288246     10.74501855    -12.55910404
  O     14.74504466     10.33964537    -14.39897294
  H     16.28067818     11.25272532    -14.09439083
  H     14.56465124     12.55987717    -12.13717293
  O     16.25923004      8.40864417    -10.82718287
  H     20.72097646      5.48992323    -11.67200768
  H     14.08250902     11.30959688    -11.38777870
  O     16.97165542     11.98522477    -10.00269455
  H     19.25748488      5.87888266    -11.98319556
  H     20.38399259      6.66326553    -17.96232670
  O     18.15706619     10.19969206    -11.84354367
  H     14.29361966      5.49506308    -15.22096883
  H     19.90015877      6.36791250    -16.52670464
  O     13.95975987     11.81120992    -12.20274620
  H     14.20826831      6.38153768    -13.95149291
  H     19.12623048     10.72839770    -16.20163592
  O     19.77379237      6.95864153    -17.29061771
  H     19.08623802      4.91860677    -15.17985654
  H     18.78981173     12.01570786    -16.99641911
  O     18.44303439     11.40860690    -16.34893436
  H     20.16518483      5.46284716    -14.23119901
  H     17.90700113      7.05592316    -17.73269734
  O     16.95549838      7.11711109    -17.88204365
  H     16.86888601      4.45165866    -14.28740033
  H     16.68673040      8.00229103    -17.59883322
          69
 Energy    -249.71593670049742     
  O     11.38794067     12.20446550     -9.87985505
  H     12.30038300     12.39065106     -9.59505240
  H     14.44388892     13.35171800     -9.63207408
  O     14.81088011     10.39039912    -12.81848196
  H     10.82819074     12.36047597     -9.12366559
  H     11.34202486     11.13304034    -16.51669361
  O     16.55032353     12.12997368    -15.56024303
  H     15.75498229     10.47905750    -12.99910810
  H     10.60166319     12.33603525    -15.91806027
  O     15.48892661      7.03139147    -12.24263505
  H     14.70122427      9.88990747    -11.99959827
  H     13.99949812     13.18393772    -14.53146130
  O     11.17839783     12.72477499    -12.61847679
  H     16.43790961     11.42768446    -16.21367266
  H     12.99013112     13.66873452    -15.56866516
  O     11.11894292     14.02416096    -15.07804089
  H     15.75182827     12.66553037    -15.62105560
  H     15.98834415     10.07174346    -18.32804194
  O     13.29578482     10.76152534    -16.65814271
  H     16.31966421      7.36841849    -12.60003402
  H     14.91130695     10.25053918    -17.23477166
  O     15.81547319     10.55372285     -9.01961621
  H     14.99257718      6.71030458    -13.00492951
  H     15.56371942     15.23091201    -11.16717059
  O     13.94495897     12.96208149    -12.74569029
  H     11.04930643     11.82688092    -12.96278674
  H     14.91462642     13.90581416    -11.63698775
  O     13.16944927      9.02304438    -14.52376617
  H     11.13307898     12.66094260    -11.65591600
  H     16.94009395      7.83256811    -15.16413556
  O     17.83412197      8.13967055    -13.53076569
  H     11.07209563     13.66540185    -14.17619708
  H     16.23326280      8.45174712    -16.40156919
  O     13.94578826     12.69025435     -9.13679644
  H     10.56091643     14.79802469    -15.09227115
  H     16.78156209     12.94597240    -10.91651958
  O     10.49794805     11.40145713    -16.13338072
  H     13.21892104     10.11718211    -15.93708154
  H     16.87164232     11.55725837    -10.26533862
  O     13.86050653     13.26171831    -15.48731642
  H     13.49641245     11.61903343    -16.25599670
  H     10.49494718     10.52734084    -14.48839685
  O     15.84619201     10.03074601    -17.38509303
  H     16.16981646     10.11089518     -8.25280199
  H     11.63092894      9.68549137    -13.90242942
  O     15.44703984     14.31456139    -10.93153143
  H     15.30561443      9.88930315     -9.51557060
  H     13.96890557      5.63366085    -15.16856053
  O     16.34414258      7.63625425    -15.89850327
  H     12.98420623     12.92928887    -12.65366785
  H     14.98456015      6.80435553    -15.23039811
  O     17.27564304     12.11783344    -10.93939940
  H     14.26148585     12.04581278    -12.72406786
  H     11.29791776      9.62506186    -11.82750499
  O     10.83716684     10.18127028    -13.65184357
  H     13.80111591      9.46706046    -13.93790415
  H     11.58225647     10.39806891    -10.53094374
  O     14.22121434      6.44641085    -14.73996385
  H     13.43172359      8.09834540    -14.59468450
  H     17.27907906     11.38525960    -14.08633485
  O     11.73550026      9.55329724    -10.97145006
  H     17.79837654      9.10854766    -13.45046925
  H     17.54306085     11.34979401    -12.52171510
  O     17.50699785     10.82047813    -13.33307320
  H     18.73510370      7.88349234    -13.35017140
  H     13.40850935      8.95876696    -10.66696016
  O     14.36455425      8.85585706    -10.54653135
  H     14.55644496     11.95563334     -8.99820674
  H     14.68699197      8.10137036    -11.06271507
          69
 Energy    -249.71550013290465     
  O     14.93942503     11.85459172    -11.10512584
  H     15.57175744     11.77595295    -11.83271977
  H     16.46855254      3.95949076    -14.86555165
  O     15.36780550      7.15142688    -14.90892948
  H     15.33699738     11.39360477    -10.35742555
  H     18.91937967     10.24297605    -10.98856366
  O     15.27692146      5.49255572    -10.43720627
  H     15.52546886      6.21858636    -14.72428103
  H     18.60671318      8.77337383    -10.68045493
  O     18.50958874      7.33891589    -11.85317632
  H     14.42330149      7.32376979    -14.78699957
  H     16.99060107      8.18718582    -12.37393657
  O     15.66970685     11.31422103    -15.81636870
  H     15.09970571      6.43242522    -10.30106903
  H     15.87884159      8.10678677    -13.45954510
  O     10.99831263      6.12973307    -11.62623082
  H     14.41917141      5.05722723    -10.51156398
  H     13.37133540     11.53655421    -11.76098729
  O     12.74488546      7.80812332    -14.34392286
  H     18.91708456      7.63743693    -12.68441424
  H     11.92533017     12.04258356    -11.97570128
  O     14.77163831      8.24520450    -10.34453457
  H     18.26113292      6.41335835    -11.93483317
  H     14.14171383      4.06407752    -13.82031288
  O     19.37770042      8.61449306    -14.07747110
  H     14.78685239     11.03036713    -15.51650744
  H     13.14394291      3.93274570    -12.64449038
  O     11.16770247      5.50297451    -14.43397452
  H     15.53098867     11.92334992    -16.53613919
  H     13.00269226     10.88000002    -13.97578232
  O     17.30518204      8.92148124    -15.93714330
  H     11.35852301      7.02534822    -11.56199611
  H     13.03886106      9.59618479    -14.82499044
  O     15.95398016      4.46153102    -14.23695541
  H     10.87386024      5.95634058    -12.56719729
  H     17.86386170      4.05086083    -11.38172796
  O     18.54982606      9.66509134    -10.31032797
  H     12.66082629      8.03618261    -13.40677182
  H     16.63539998      4.99316102    -11.31654908
  O     16.15265701      8.57596527    -12.66140073
  H     12.14158867      7.07235130    -14.50327559
  H     12.11023795      4.93139765    -11.02714636
  O     12.51853942     11.32527009    -12.18207402
  H     15.21460934      8.37663532    -11.19944077
  H     12.35004599      3.64146398    -10.20949398
  O     13.21155111      3.92684427    -13.60808240
  H     15.16934279      8.88779930     -9.74638333
  H     19.77884366     11.97332152    -12.78987124
  O     13.27751715     10.53185234    -14.83256988
  H     18.71398424      8.72452976    -14.77452421
  H     18.40110998     11.27560770    -12.86574552
  O     17.38303138      4.70876114    -11.87719048
  H     19.50978612      9.48626872    -13.68779297
  H     12.29773161      9.52025650    -11.80051436
  O     12.77127093      4.24931099    -10.81146395
  H     11.89320569      4.89160195    -14.21024393
  H     13.15505333      8.42634769    -11.11798912
  O     19.33599525     11.14389101    -12.63095682
  H     10.59048643      5.04079376    -15.03502033
  H     16.41161754     10.53265446     -8.16810297
  O     12.37335961      8.56670700    -11.67137945
  H     16.64431894      8.24810729    -15.72681079
  H     17.07617574     10.07959091     -9.48789860
  O     16.22163282     10.29332100     -9.07102398
  H     16.81288768      9.74792828    -15.99448105
  H     16.37279148     11.39266012    -14.12214921
  O     16.66742983     11.23486706    -13.21680155
  H     16.48968986      4.53216143    -13.43097805
  H     16.48041748     10.30189612    -13.02524754
          69
 Energy    -249.71465726924239     
  O     17.01660748     10.30292634    -17.85317980
  H     16.13209453     10.68363017    -17.85391928
  H     16.80998922      6.24882373    -11.00216468
  O     15.12959973      5.89654974    -13.94929216
  H     17.06284311      9.71389471    -17.08346451
  H     20.42273255     10.50250554    -16.71416286
  O     17.95013902     13.64199170    -11.97962947
  H     14.35709664      6.44715963    -14.12684146
  H     21.90012085     10.04390742    -16.71115446
  O     19.57005524      8.95109735    -14.25162104
  H     15.57063463      6.26088908    -13.17285323
  H     17.02061054      7.70995142    -15.87467791
  O     15.39851054      6.63689905    -18.56017629
  H     18.03253358     14.33248428    -11.32819910
  H     17.99953044      8.70637915    -15.17834503
  O     15.01886426      9.51943288    -14.19221172
  H     17.04442450     13.29227537    -11.90246448
  H     13.87873396     11.91055761    -17.95702738
  O     17.87787901     12.64525409    -14.66222916
  H     20.17737832      9.25238905    -14.93868817
  H     14.56631946     11.66249360    -16.59709637
  O     18.92837429      6.43561063    -13.31235371
  H     19.41535820      9.67626047    -13.63066151
  H     16.49857429      8.70953322    -11.60027171
  O     13.03427342      7.66598515    -14.77192200
  H     15.81441066      6.31279611    -17.74131033
  H     15.80546840      9.60711979    -12.62632031
  O     19.25730146      5.18509819    -15.86369613
  H     15.07280817      5.86941119    -19.02419873
  H     14.24107408      7.92838244    -17.80344497
  O     16.60215375      5.93441788    -16.23224817
  H     15.75462316      9.16696718    -14.71758259
  H     13.89018573      9.38917493    -17.39517048
  O     16.75772976      6.84050789    -11.74885672
  H     14.26463383      8.93133438    -14.31154010
  H     17.87979005     10.45578310    -12.24158075
  O     21.01612586      9.76260782    -16.49197290
  H     17.94182920     13.34495790    -14.00258060
  H     18.62370205     11.81848488    -12.22157656
  O     17.15115700      8.63603915    -15.63466000
  H     18.12196425     11.85222241    -14.16431030
  H     15.17312176     12.41378279    -12.89192945
  O     14.38079306     11.26594675    -17.46386813
  H     19.05400265      5.88444636    -14.09266794
  H     15.65719832     11.48828113    -11.75253673
  O     16.31946185      9.63560101    -11.80401380
  H     19.26828877      7.30706767    -13.56197596
  H     19.23860197      7.48274514    -18.10728998
  O     13.64200333      8.46630577    -17.27065801
  H     12.08973945      7.60939392    -14.65826164
  H     20.32852823      8.08663519    -17.18636917
  O     18.66065001     10.92238662    -12.57604353
  H     13.19424416      7.90170095    -15.70476199
  H     15.03022858     11.20550220    -14.65368203
  O     15.50480946     12.41274232    -11.98689484
  H     19.55065493      5.92562250    -16.42780709
  H     16.04806785     12.35043525    -14.94083791
  O     19.90563664      7.26038954    -17.44080180
  H     19.78441942      4.42939479    -16.10676992
  H     18.48503600     11.30596960    -17.43030238
  O     15.10529066     12.13475940    -14.92759515
  H     17.47877003      5.54938646    -16.11146949
  H     18.84550920     12.20153270    -16.23687618
  O     19.23195649     11.73089308    -16.98483842
  H     16.09407772      5.81490705    -15.41478162
  H     17.62468101      8.87922894    -18.90254822
  O     17.86462908      7.98601035    -19.18390726
  H     17.55020221      6.67041463    -12.29037379
  H     17.04432866      7.48339451    -19.12289399
          69
 Energy    -249.71369406688612     
  O     11.10885624     10.52811108    -12.05527272
  H     10.64589698     10.00418348    -12.72043843
  H     18.37708918      7.70405575    -16.62372710
  O     13.86032173      6.92292136    -15.24854111
  H     11.87124125     10.92213743    -12.50124007
  H     15.87619102     11.90496853    -15.04675483
  O     15.30417147     10.69308664    -11.39170135
  H     14.41115047      6.80227922    -16.03673942
  H     15.50702906     13.36435705    -15.40889957
  O     18.07451692      9.39946190    -16.83745217
  H     13.31709808      7.71585392    -15.35911143
  H     15.05490534      7.93386326    -14.35803333
  O     12.49457283      9.32713206    -15.19060382
  H     15.09074873      9.79485182    -11.11373789
  H     15.27228490      8.48396299    -12.92182956
  O     16.61707554      6.62800856    -10.20784656
  H     16.26111228     10.72569302    -11.51152211
  H     11.59145126      9.43512773    -10.79646108
  O     13.71009247      5.78490080    -12.75698914
  H     17.82005791      9.91838638    -16.06442465
  H     11.56189349      8.94792444     -9.32565971
  O     15.81985660      9.33287976    -18.56015844
  H     17.34461693      9.46974058    -17.46705407
  H     17.96580557      7.61431161    -10.98561054
  O     16.28502842      4.67763380    -12.33676231
  H     12.87521537      9.91854897    -14.52522219
  H     18.49911119      7.52501192    -12.41760513
  O     17.05143942     10.67968703    -14.52168206
  H     11.61053495      9.09379997    -14.88036774
  H     11.92443361      6.28921035    -12.35846308
  O     15.63492112      6.78197552    -17.31212014
  H     15.81790385      7.14205596    -10.37888284
  H     11.30205812      7.31934443    -11.39163662
  O     18.42049927      6.73603967    -16.51705651
  H     16.53575708      5.84784952    -10.76955045
  H     18.77391137     11.19166802    -11.42828755
  O     15.14371972     12.48820182    -15.31088395
  H     14.50886778      5.26391610    -12.61116734
  H     18.32026120      9.76309405    -11.80806402
  O     15.67289592      8.42061500    -13.79553541
  H     13.72364541      6.07401120    -13.68317145
  H     17.00857042      7.20452633    -13.81416266
  O     11.88540951      8.72750099    -10.19455180
  H     15.12373476      9.82777277    -18.09211107
  H     18.02201129      6.49342933    -14.74481336
  O     18.54045235      8.06571340    -11.62046594
  H     15.72419675      9.53604176    -19.48664585
  H     13.34558547     10.19714013    -16.59905555
  O     11.11696643      6.78599938    -12.17447097
  H     16.65302807      3.79936278    -12.39302520
  H     14.32035014     11.39300814    -16.61785357
  O     18.12449516     10.70988629    -11.93292129
  H     16.83040284      5.24707797    -12.90603129
  H     14.12970221      7.22927689    -11.74904877
  O     17.68187971      6.50771989    -13.84209342
  H     17.55245703     10.82608420    -13.70987316
  H     13.53737679      8.29561002    -10.79702179
  O     13.95703331     10.68613756    -17.16510315
  H     16.50312500      9.89901237    -14.34388361
  H     13.92601642     11.81596427    -14.01565828
  O     14.35406307      8.01881833    -11.23404150
  H     15.65068129      7.60602078    -17.81581338
  H     14.11858656     11.08482585    -12.66695294
  O     13.48294544     11.24090687    -13.38203581
  H     16.55116996      6.61292665    -17.06496881
  H      9.22959229      8.35486394    -14.20799782
  O     10.11087209      8.59641047    -13.93687065
  H     19.15017465      6.43336560    -17.05057847
  H     10.43095580      7.88642823    -13.35170660
          69
 Energy    -249.71324648460583     
  O     16.29476294      3.27178553    -10.72978461
  H     16.35869369      3.86134862    -11.49179294
  H     12.83710289      9.72362927     -6.86857252
  O     13.52856386      5.41794598    -12.06520258
  H     15.36023326      3.24069474    -10.49360609
  H     18.47369012      6.75869602     -5.33594510
  O     12.83571583      7.33884370    -10.21256039
  H     13.39750964      4.68368455    -11.45188519
  H     17.43730217      6.03369364     -6.22792735
  O     16.45139311      7.76598896    -14.21000546
  H     14.47415251      5.41332522    -12.27659279
  H     13.79111052     10.33276537    -10.91732620
  O     13.51973233      3.44090574    -10.00941363
  H     13.60586224      7.27609548     -9.62561836
  H     13.43546628      8.83495851    -11.03006166
  O     16.62575753      9.23161738    -11.72606722
  H     12.96492947      6.66804770    -10.89564312
  H     16.43344921      6.04237981    -13.28783477
  O     19.13044806      6.14380331     -8.67610286
  H     16.67192106      7.95698489    -15.11779170
  H     16.64127358      5.85280807    -11.78067125
  O     13.97309030      4.78446018     -7.65991921
  H     15.48023346      7.80515773    -14.14390052
  H     13.67625620      8.51838759    -13.07872643
  O     17.20690436      6.84354194    -10.46341651
  H     13.62900639      3.87420659     -9.14573858
  H     13.48930776      6.99918933    -13.30111283
  O     15.09718356      7.01032678     -8.75544207
  H     12.97113205      2.67424248     -9.86248942
  H     13.85430715      9.07497470     -4.61115038
  O     16.10102242      8.79273387     -6.85642934
  H     16.75278799      8.85613999    -12.60582964
  H     14.61286257      8.80813450     -5.93171410
  O     12.41367276     10.08333320     -7.65773661
  H     15.66885037      9.35518429    -11.63755020
  H     11.47564832      7.64406486     -9.15096209
  O     17.96603703      6.84788567     -6.13844951
  H     18.88941602      5.20747348     -8.69719142
  H      9.96166411      7.77689882     -8.85806475
  O     13.83507574      9.57392251    -11.51169743
  H     18.85813549      6.46483511     -7.80808268
  H     15.64660414     10.83988552     -9.15879627
  O     16.28056015      5.41745012    -12.57139490
  H     14.45436515      5.51996447     -8.07177879
  H     16.74534725     10.09536247     -9.93332888
  O     13.76788839      7.81390338    -13.73508578
  H     13.28930792      5.20914751     -7.12276147
  H     15.65640809      4.50835315     -6.80250250
  O     13.73558510      8.78531188     -5.51224560
  H     17.17846402      7.73916138    -10.82491716
  H     17.07508143      4.09595047     -7.25535856
  O     10.82460863      7.86923465     -8.46327414
  H     17.98958938      6.72112498     -9.90851775
  H     11.63376035      6.88573669     -7.01180247
  O     16.49281676     10.38590798     -9.05034136
  H     15.37740923      7.64572147     -8.08715107
  H     12.73353366      7.19978897     -5.98809275
  O     16.58792834      4.55071454     -6.55545549
  H     15.83948465      6.88635477     -9.36301083
  H     13.63474451     12.40138963     -9.39321347
  O     12.22159700      6.47441734     -6.36653213
  H     16.36776239      9.39032999     -7.57192623
  H     13.33762228     11.00691527     -8.79174872
  O     13.87847875     11.48130079     -9.44869534
  H     16.84182062      8.22208878     -6.61334199
  H     17.46824314      3.39898860     -9.44548887
  O     18.09537464      3.47326749     -8.70513770
  H     11.76671529      9.42148225     -7.92990772
  H     18.61343608      2.67238098     -8.70896999
          69
 Ord_Energy   -249.712997    
 O   -4.47434473      -2.19253159       3.23690224    
 H   -5.18755341      -1.90964830       3.81929398    
 H   -4.64189386      -1.74915469       2.38967729    
 O   -2.88024044       1.56424046       3.61337018    
 H   -2.68297148       2.50747061       3.66819096    
 H   -3.83277059       1.46922123       3.76276517    
 O   -7.61012554      0.194730863      0.669687986    
 H   -7.72740841      0.153516695     -0.290320069    
 H   -7.42486668       1.11089540      0.913612425    
 O   -8.03579044      -1.99790168       2.26712513    
 H   -7.73583651      -2.72403979       1.71066558    
 H   -8.03370762      -1.21191943       1.69958436    
 O   -1.91526186      -1.10815275       3.55600071    
 H   -2.13264894     -0.187143147       3.74898458    
 H   -2.75901389      -1.58224714       3.55767941    
 O   -4.96478367      0.878913343      -2.63967776    
 H   -4.60492849      0.993983507      -3.51630712    
 H   -4.68935394      -3.94719979E-03  -2.34022427    
 O   -2.57252049      -3.26257825     -0.284736216    
 H   -3.09556055      -2.77064705     -0.929383516    
 H   -2.00357199      -2.61027646      0.141793817    
 O   -6.77107430      -1.05512428       4.46041536    
 H   -7.25693464      -1.27709115       5.25019121    
 H   -7.27409267      -1.41882765       3.70907211    
 O   -4.45584774       2.62491846     -0.439394683    
 H   -4.68062639       2.15549803      -1.25061500    
 H   -3.76616836       2.09594989      -7.86423031E-03
 O   -6.52787781       5.23216963       2.36892748    
 H   -7.13944626       5.94055223       2.54823875    
 H   -6.16831446       4.94167757       3.22676802    
 O   -2.78891253      0.958140910      0.922046423    
 H   -2.76464462       1.20902836       1.85710621    
 H   -2.12852001      0.264854193      0.799952149    
 O   -5.64096212       1.47251546       3.84969926    
 H   -5.99229765       1.77294326       3.00019550    
 H   -6.06844664      0.637166977       4.07273054    
 O   -4.56984425      -4.29129076       1.37288904    
 H   -4.48712873      -3.73590755       2.15854740    
 H   -3.83380270      -4.04535627      0.794513702    
 O   -7.09567547      -4.10755014      0.496326417    
 H   -6.17093468      -4.19172525      0.795095325    
 H   -7.52786303      -4.92789936      0.721162438    
 O   -5.33939791       4.19548130       4.58073473    
 H   -5.50397062       3.24426293       4.52749634    
 H   -4.39786148       4.30873680       4.39905119    
 O   -6.97683525      -2.93479156      -2.01208162    
 H   -7.27988577      -3.58915234      -2.63712096    
 H   -7.06060505      -3.33368015      -1.13057804    
 O   -7.62397814     -0.117123857      -2.05284715    
 H   -6.80604792      0.297270328      -2.35291338    
 H   -7.48296309      -1.07034743      -2.11620140    
 O   -6.53895283       2.59459329       1.41779935    
 H   -5.83722591       2.61451197      0.751082659    
 H   -6.69152689       3.50689793       1.69098520    
 O   -1.01501107      -1.21801364       1.00809360    
 H   -6.37439713E-02  -1.27731049      0.975487947    
 H   -1.26573217      -1.24875057       1.94979155    
 O   -2.66632128       4.36064148       3.54115319    
 H   -3.04102898       4.56940651       2.66688132    
 H   -1.96679783       4.98905706       3.69833136    
 O   -4.49015188      -1.65692413      -1.65492415    
 H   -5.26047802      -2.18258142      -1.90424037    
 H   -4.62330770      -1.42312765     -0.721501529    
 O   -3.92800903       4.91226053       1.18706477    
 H   -4.04266214       4.24281406      0.501190245    
 H   -4.81740570       5.15784979       1.47199893    
 O   -4.97865105     -0.779542387      0.902692139    
 H   -4.31499004      -7.80048966E-02  0.938746631    
 H   -5.86126089     -0.390858680      0.848019302    
          69
 Ord_Energy   -249.712585    
 O    5.50785923      -1.95560265       1.36034004E-02
 H    5.24071741      -1.09297717     -0.333855748    
 H    5.79468441      -2.45929885     -0.761896491    
 O   -9.29958969E-02  -3.19154119      -3.42943335    
 H   0.491638184      -3.41704130      -4.16503000    
 H  -0.204701871      -3.96918201      -2.86678433    
 O  -0.964898050      -3.04044247      0.317663997    
 H  -0.704137325      -3.78918099     -0.229149282    
 H  -0.248309880      -2.87794876      0.946575522    
 O    4.83089018      0.528744817      -1.12687027    
 H    3.87854576      0.573618233      -1.30340517    
 H    4.97601557      0.999958038     -0.294258356    
 O    5.31813574     -0.426846057      -3.65661883    
 H    6.00628567       6.75889179E-02  -4.09689760    
 H    5.21855402      -3.06525603E-02  -2.77469778    
 O    2.16453648      0.500512064      -1.63276362    
 H    1.55104160      0.479992747     -0.885792494    
 H    1.69468760      0.790765345      -2.42439556    
 O    4.92537642       1.51588225       1.42525637    
 H    4.01695156       1.69292259       1.69990873    
 H    5.21006680      0.748810053       1.93743432    
 O    2.82929707     -0.957095802      -5.01815653    
 H    3.66137290     -0.780505002      -4.56258440    
 H    2.20781875     -0.272159845      -4.74466038    
 O    5.94488192      -3.00744677      -2.48906541    
 H    5.82344246      -2.18421817      -2.97761440    
 H    5.24442291      -3.59184861      -2.80671120    
 O    3.53206587      -4.22510672      -3.30460215    
 H    3.09733558      -4.18049288      -4.16300249    
 H    3.14586639      -3.49192214      -2.79993916    
 O    1.85963094      -3.45191550      -5.46221781    
 H    1.82259393      -3.61397767      -6.40072632    
 H    2.21761513      -2.55199075      -5.34640503    
 O    2.40791917      -5.68987370      -1.16427088    
 H    2.73381257      -5.09853268     -0.472116470    
 H    2.86386418      -5.40803766      -1.96851647    
 O   -1.09549034     -0.623765945      -3.16202307    
 H  -0.866232991      -1.55117261      -3.31758404    
 H   -1.43077755     -0.576350331      -2.25917053    
 O    2.08892751      -2.27855301      -1.90413129    
 H    2.15844488      -1.31761074      -1.87886024    
 H    1.26709914      -2.49939895      -2.35875487    
 O    2.82983994     -0.732907951       3.56475019    
 H    3.74769807     -0.899958313       3.31557536    
 H    2.64326882      0.170346707       3.28228164    
 O    1.23815215      -2.18757224       1.85662353    
 H    1.69671249      -1.76053727       2.59415126    
 H    1.91364944      -2.69893694       1.38797235    
 O   -1.90019274     -0.632596135     -0.433982402    
 H   -2.79363203     -0.522224665     -0.119944088    
 H   -1.62558365      -1.53583527     -0.186898634    
 O   0.885954201      0.940561414      -4.06049156    
 H   0.545382798       1.68330014      -4.55094242    
 H   0.118861571      0.402084142      -3.78996849    
 O  -0.237591624      -5.19562340      -1.47189629    
 H   0.699488223      -5.42576694      -1.34273386    
 H  -0.731241703      -6.00821018      -1.39674568    
 O    3.14134264      -3.43166041      0.327214390    
 H    2.69866109      -3.04787350     -0.448163956    
 H    4.01387072      -3.02095938      0.344561547    
 O    5.52941704      -1.03676665       2.61107039    
 H    6.29268646      -1.32949400       3.10334110    
 H    5.59440184      -1.44639838       1.73257136    
 O   0.565560818      0.211149335      0.613748908    
 H   0.830517292     -0.630370259       1.01665449    
 H  -0.331771523       8.30213875E-02  0.283298522    
 O    2.18502927       1.76098049       2.25619864    
 H    1.56141424       1.30661404       1.66753817    
 H    1.72107577       2.51297426       2.61689568    
          69
 Energy    -249.71198882119495     
  O     18.13047389      9.15191529    -10.70451961
  H     17.37853779      8.88656562    -10.14800512
  H     18.02909234      2.36973150    -11.01497160
  O     18.65435043     11.57346995     -9.40461391
  H     18.40808880     10.01934230    -10.38780519
  H     15.72035081      5.48760887     -9.51639866
  O     12.33341070      8.86080531     -9.33478245
  H     19.07842426     12.40960631     -9.57551433
  H     14.73143500      5.92965941    -10.63793178
  O     16.64688653      8.36147073    -12.91746280
  H     17.75357547     11.77270335     -9.08766151
  H     19.74811509      5.86724880    -11.43279515
  O     19.43850907      6.85511615     -9.90332694
  H     12.31075586      8.47989847    -10.22677165
  H     19.19808839      4.52897115    -11.96567825
  O     19.88581538      7.40825158     -7.17611315
  H     12.50837202      8.13718235     -8.72538747
  H     15.97924413      9.56217760     -6.07240723
  O     17.44535678      5.00773805     -9.21482088
  H     17.21710079      8.67134288    -12.19926596
  H     16.08865901     10.72270616     -5.05793785
  O     12.63157473      8.04655397    -11.98067110
  H     17.18251437      7.77244718    -13.46473076
  H     18.80780858      6.08992058    -13.54146879
  O     16.17988666     11.92703136     -8.40257149
  H     19.70789138      7.00926521     -8.98926006
  H     18.73560488      6.45650450    -15.04270862
  O     14.51130431     10.12820046    -12.77195436
  H     19.07103594      7.68835560    -10.23090891
  H     15.50058649      7.59934379     -9.54495595
  O     14.31018475     10.59720494     -9.97618045
  H     20.68550852      7.36845364     -6.65809622
  H     15.31796738      9.15828528     -9.54587465
  O     17.90112619      3.27127616    -11.29942563
  H     19.56138923      8.32524359     -7.12149675
  H     18.10654984     10.13532145     -6.60988001
  O     14.85015203      5.87676073     -9.67887616
  H     18.08743930      5.65130478     -9.54606145
  H     18.94313032     10.49560204     -7.85381388
  O     19.66263670      5.33134407    -12.23331414
  H     17.41565923      5.14497332     -8.25630905
  H     13.71150809      6.26804011     -8.37139054
  O     16.35333568     10.44786932     -5.93226545
  H     13.20592000      7.29668398    -12.18258844
  H     12.57286417      5.94755665     -7.37655267
  O     18.22701421      6.45009396    -14.23604846
  H     13.09861895      8.81110931    -12.33695333
  H     15.38815525      7.01092257    -12.51919345
  O     15.92442453      8.43795303     -9.32242349
  H     16.12553394     11.50206403     -7.53869806
  H     15.18911794      5.50607257    -12.80751432
  O     18.92502518      9.92619848     -7.07558437
  H     15.45658412     11.56795622     -8.93585612
  H     16.81265550      6.56624584     -6.49760814
  O     13.17775484      6.63469587     -7.64491306
  H     14.45865592     10.68705416    -13.54366202
  H     18.33111252      6.39704384     -6.70804759
  O     14.78206110      6.27204818    -12.37854000
  H     15.27591873      9.54448938    -12.90390270
  H     15.76897657      8.17232988     -7.56008861
  O     17.50239631      5.90575981     -6.63615165
  H     14.34717385     10.56535128    -10.93964973
  H     14.62403364      7.53107224     -6.76268519
  O     15.48544327      7.95263967     -6.65781615
  H     13.52189681     10.10450056     -9.69437461
  H     16.85312399      3.88857108    -12.78642967
  O     16.37247725      4.33984493    -13.49170855
  H     17.69119582      3.78730561    -10.50332682
  H     16.99412738      4.97145060    -13.87405374
          69
 Energy    -249.71104362140352     
  O      2.51611556      0.60717747     -1.78577244
  H      3.22510017      0.10683647     -1.36264080
  H      1.82299054      2.25456001     -4.47739444
  O      7.77577197      4.99131613     -4.79335690
  H      2.80733767      0.77535762     -2.69322001
  H      6.96923018      1.92295058     -3.03898756
  O      3.45243180      1.30021301     -4.32587377
  H      7.76479999      4.20817148     -4.22709258
  H      7.33665647      3.09503871     -2.07351553
  O      1.56484914      4.47835780     -6.58963323
  H      7.10687911      4.84435823     -5.47551942
  H      6.32834734      6.52035793     -1.94681554
  O      6.86801592      7.24978743     -3.57610191
  H      3.58710892      1.08314441     -5.25979289
  H      5.09128090      5.82322064     -1.33781334
  O      1.75785851      6.92629279     -5.08097372
  H      3.91165731      2.13728614     -4.14533094
  H      1.16034932      5.88758724     -3.68693427
  O      3.50356042      5.03798834     -1.79704484
  H      1.23639458      3.85442409     -5.92856286
  H      1.02588904      4.35160168     -3.52411267
  O     -0.13898243      1.56606141     -2.23722448
  H      1.60212173      5.33837989     -6.15594378
  H      4.34191620      2.42088456      0.45347837
  O      0.07195345      4.02312524     -0.69808575
  H      7.25383373      6.46320318     -4.00190909
  H      5.87389800      2.60809294      0.28174873
  O      7.21118172      3.77751549     -0.33886543
  H      7.49850704      7.95652784     -3.68793148
  H      5.09543001      4.27838693     -5.46185012
  O      3.92073642      0.96410756     -6.99119969
  H      1.42563598      7.76310307     -5.39464650
  H      4.86400336      4.27632573     -6.99702023
  O      1.00957414      2.77037135     -4.42640678
  H      2.72906097      7.00355656     -5.05205977
  H      5.17963876      7.23317153     -4.50911256
  O      7.26919832      2.84373486     -3.00342047
  H      2.66792702      5.25241377     -2.22864899
  H      4.76482502      6.29083690     -5.64502601
  O      6.01786692      6.04241865     -1.16808328
  H      3.30922657      4.30920896     -1.19042433
  H      3.40633492      3.75882368     -9.02995382
  O      1.00649262      5.18964343     -3.03749307
  H     -0.20827541      2.30017076     -1.61566120
  H      2.80277215      3.86288964     -7.60870592
  O      5.19474548      1.97817032      0.55194965
  H      0.65723832      1.07806341     -1.98655409
  H      5.63175263      3.39910033     -3.51345653
  O      5.39055068      4.67569510     -6.29724321
  H     -0.58975915      4.53019707     -0.23431872
  H      4.33071537      4.18478536     -3.16274688
  O      4.44743459      7.02326119     -5.09886911
  H      0.31687776      4.53722953     -1.48531983
  H      1.75258445      3.28856609     -0.18390957
  O      3.54767388      3.50033294     -8.12320796
  H      6.80774335      4.62800955     -0.59152281
  H      2.59254877      2.13182302     -0.77747276
  O      4.74472045      3.62321821     -3.82922855
  H      7.95306506      3.98170680      0.22455083
  H      5.70461716      0.02915883     -2.27208051
  O      2.64642288      2.92814799     -0.22833153
  H      3.80091557      1.80803301     -7.45169111
  H      5.19527916      0.52255114     -3.63144071
  O      5.99896220      0.38905632     -3.11878569
  H      4.55344978      0.46749295     -7.50518409
  H      5.08650351     -1.13771722     -0.03348216
  O      4.87689771     -0.42501464     -0.63048530
  H      0.44932132      2.31653713     -3.77961379
  H      5.04881986      0.40655560     -0.15138220
          69
 Energy    -249.71049989515927     
  O     10.93591646      8.94799061    -10.62540003
  H     11.52120457      9.64778909    -10.93883365
  H     15.83860723      7.88506618    -17.24585336
  O     13.28426965      7.54102728    -15.12024475
  H     10.37327622      8.71595767    -11.37569541
  H     17.75031515      7.65045627    -16.04219053
  O     17.28152485     10.31735170    -11.42223564
  H     13.44304008      6.72894180    -14.62142775
  H     18.43497637      7.62631112    -17.42710991
  O     17.12118300     10.86059194    -16.67096889
  H     13.80249588      7.53672445    -15.93984650
  H     15.08794598     12.18729409    -13.59013900
  O     11.58429439      9.47566952    -14.25591367
  H     17.80311800      9.51801074    -11.56812819
  H     14.48672459     13.55172021    -13.18112931
  O     16.92141621      5.54594768    -11.18224196
  H     17.18692250     10.74047859    -12.28577035
  H     15.17077108      8.73467866    -12.80122178
  O     13.81175450      5.48095038    -13.32046470
  H     16.24786683     10.89047206    -17.08369796
  H     14.62603343      8.34947326    -14.21936595
  O     14.83045216      9.14490234    -11.05563375
  H     17.43021234      9.95454244    -16.79032370
  H     11.32296052      6.30197778     -8.91183368
  O     14.46804154     10.71321814    -17.72087175
  H     12.14866989      8.77243410    -14.61423897
  H     11.46657484      7.40826219     -9.98453998
  O     16.47795360      4.48614524    -13.62741553
  H     10.79866588      9.03923716    -13.90697257
  H     18.33111817      7.54386324    -12.85864891
  O     16.46734763     11.16723918    -14.02363922
  H     17.47896216      6.32969007    -11.24026400
  H     19.55067343      7.71021484    -11.92676046
  O     14.87772604      7.93766258    -17.29376784
  H     16.04876229      5.84396512    -10.88702208
  H     11.26962602      5.83451939    -11.49660017
  O     17.74098950      8.04927706    -16.92732303
  H     13.98030115      5.87519571    -12.45118133
  H     11.93388852      5.50068824    -12.84718077
  O     14.25829960     12.64554154    -13.37139545
  H     14.62205836      5.01460979    -13.55303306
  H     16.72440508      7.58896011    -14.17087111
  O     15.40659036      8.64238477    -13.73321020
  H     14.10447046      9.74031463    -11.28684362
  H     17.17369841      6.10076095    -14.25517511
  O     11.72334990      6.49682502     -9.75462844
  H     15.65802804      9.64716272    -11.02358937
  H     13.32583571     11.99982690    -14.92412320
  O     18.60054915      7.80058009    -11.96248125
  H     13.90064039     11.01168684    -16.98822025
  H     12.33350479     10.86198284    -15.24216057
  O     11.08925182      5.72494214    -12.43938082
  H     14.13356007     11.13109487    -18.51013450
  H     13.49284794      6.40234727    -10.29794899
  O     17.47276726      7.00856728    -14.39125718
  H     16.66610802      4.77075172    -12.71323189
  H     14.52247151      7.45253066    -10.78338284
  O     12.91947519     11.51326498    -15.65025104
  H     16.76693318      3.58070895    -13.70111971
  H     13.20199409     11.45319443    -12.35962110
  O     14.33463890      6.50107435    -10.75788422
  H     16.06486515     10.28794820    -13.95638261
  H     12.34887475     10.24209030    -12.79356308
  O     12.74299118     10.67491852    -12.02111512
  H     16.81140146     11.21721111    -14.92612080
  H     10.10976112      7.12150440    -12.85815587
  O      9.61510231      7.95401835    -12.96413915
  H     14.68221412      8.85967928    -17.51025735
  H      8.71149314      7.71570789    -13.15212621
          69
 Energy    -249.71013298624229     
  O     -3.10391468      1.34172203      1.94187164
  H     -3.51512000      2.17887913      1.74089337
  H     -1.70269434     -7.29389442      0.13278265
  O     -2.86700935     -1.07462750      6.82534478
  H     -2.19745213      1.38831511      1.59341110
  H      2.91959062     -2.80371446      2.57058573
  O      1.46920973     -0.11746832      2.25105682
  H     -3.00405822     -0.70450687      5.93720239
  H      4.18323721     -2.21684459      3.24274079
  O     -3.13286797     -0.33904798      4.16647203
  H     -3.18442141     -0.42362742      7.44616171
  H     -0.39086524     -2.28136791      2.81581799
  O      1.90341990     -3.67829866      5.31487113
  H      2.22359873     -0.65185940      2.52274168
  H      0.44898111     -3.27745250      1.94489130
  O     -4.13710718     -3.51729084      5.90346066
  H      0.79438560     -0.30264241      2.92284014
  H     -2.25653408     -5.49307872      1.92388516
  O     -0.55183033     -2.60258114      6.22768599
  H     -3.19773204      0.33301654      3.47639109
  H     -1.68889365     -4.16154393      2.44621221
  O      0.82187268     -6.14329846      4.93684171
  H     -3.50493273     -1.16017625      3.80917190
  H      2.12845547     -3.74300911      0.48706606
  O     -0.54032149      1.42032091      0.95922258
  H      1.19423936     -3.18856452      5.75158852
  H      1.85041521     -4.78560690      1.63076916
  O      1.06657694     -6.27353154      2.08982941
  H      2.33271785     -3.07564496      4.69830970
  H     -3.67161828     -3.45879348      2.87269469
  O     -0.71678798     -4.55048061     -1.10511930
  H     -3.39439168     -4.13156246      5.83770767
  H     -4.38510226     -3.00275767      4.15259744
  O     -1.38071977     -6.53999083      0.61942875
  H     -3.80005356     -2.75025862      6.38055248
  H      1.51264197     -2.33748048     -1.06720279
  O      3.23122308     -2.15220133      3.22409713
  H     -1.25473862     -2.07443334      6.62527448
  H      2.41487939     -3.13503553     -2.03838537
  O     -0.44502852     -2.98557876      2.15853577
  H     -0.97388643     -3.40943664      5.89472407
  H     -1.35096895     -0.64328791      4.01821876
  O     -2.42192473     -4.78873515      2.55986669
  H      1.26924891     -6.77390012      5.49577228
  H     -0.34305062     -1.49096353      4.82248373
  O      2.13404815     -3.87653900      1.44238470
  H      1.27921913     -5.29134156      5.05600215
  H     -0.17662359     -1.23443795     -0.40934862
  O     -4.19380086     -2.73370303      3.24209124
  H     -0.35331862      0.97073190      0.13007899
  H      0.99341336     -0.67405523      0.45727399
  O      1.85758160     -3.22473674     -1.26988565
  H      0.19687377      1.16041677      1.52705942
  H     -2.59117238     -1.80080162      0.08027942
  O     -0.43296376     -0.94287919      4.03166621
  H      0.22869907     -6.46009048      1.64943001
  H     -1.30776439     -2.42705109      0.69161999
  O      0.72285150     -0.87134173     -0.44982141
  H      0.90765155     -6.31952399      3.04064325
  H     -2.04106153     -4.94828298      4.32943738
  O     -1.70837318     -2.12677465     -0.13874017
  H      0.18410741     -4.25188437     -1.26882449
  H     -0.92064132     -5.48348821      5.23677621
  O     -1.72288124     -4.94687793      5.24401007
  H     -1.21712090     -3.74558483     -0.90959097
  H     -4.31286855     -1.69532873      1.61582350
  O     -4.08789686     -1.16108310      0.84331068
  H     -1.15050078     -5.85986590     -0.03936468
  H     -3.85761469     -0.28496104      1.17412475
          69
 Energy    -249.71009635468084     
  O     14.88178894     12.55378915    -16.28927810
  H     14.47666774     13.41256842    -16.37589195
  H     17.21978317      4.31646541    -15.73171994
  O     15.52162554      5.97210215    -13.69547467
  H     14.37070344     12.07143500    -15.61541209
  H     18.47616399      4.99687585    -12.02740054
  O     18.36629051      8.55682955    -11.75942411
  H     16.11329721      5.86807290    -12.93833424
  H     19.82189489      5.49895637    -12.56749821
  O     18.05222611      7.73524796    -17.31480243
  H     14.78578153      6.51933771    -13.38814483
  H     18.82285389     10.51890387    -18.78250803
  O     15.92084012      6.07634214    -18.21017907
  H     19.18276437      8.15831715    -12.08628328
  H     18.20576049      9.43157560    -17.87619120
  O     16.43662744      9.42030290     -9.93711011
  H     18.07680647      9.17561699    -12.44749647
  H     15.61952874      8.24775236    -15.80700799
  O     13.67414524      7.83298552    -12.76628946
  H     17.56950701      7.89400292    -16.48733418
  H     16.16579398      7.34710113    -14.66490833
  O     17.35994018     10.17344491    -13.74024007
  H     17.47637271      7.15031097    -17.82132351
  H     13.04425336     10.31880400    -14.70772108
  O     18.94093528      3.92590069    -15.09032700
  H     15.74204831      5.49789777    -18.94623006
  H     13.93574885     10.94035619    -13.61137214
  O     14.80687801      7.04575825    -10.21363209
  H     16.05009273      5.50645845    -17.42864208
  H     11.54114881      8.40338196    -15.54547587
  O     19.93093619      6.56425364    -15.53559843
  H     16.80062009      9.82183389     -9.15187800
  H     13.03980110      8.37579599    -15.92213265
  O     16.34036331      4.61751483    -15.99085310
  H     17.19132979      9.13376635    -10.47742224
  H     21.47531237      7.44920016    -12.93821587
  O     19.26137784      4.71527708    -12.51691719
  H     14.15683421      8.65627107    -12.60276625
  H     20.33392742      7.09187642    -13.91661778
  O     18.14893418     10.36877310    -18.12410440
  H     13.11535776      8.00371030    -13.53395144
  H     17.52498984      6.90025600    -11.53568013
  O     16.36105778      8.12777671    -15.19976749
  H     17.01657036      9.44173225    -14.27713379
  H     16.29698070      6.22494169    -10.87873204
  O     13.49606380     11.13043887    -14.45033875
  H     17.55800006     10.89179676    -14.35556550
  H     15.08891214     11.23171594    -17.59680868
  O     12.41579315      8.56807686    -15.20181747
  H     19.38936369      3.09584385    -15.22981198
  H     16.24624261     10.47138235    -18.26980038
  O     20.54199194      7.25694825    -12.97928175
  H     19.02017340      4.12706386    -14.14044945
  H     15.35959384     10.12192600    -11.36498670
  O     17.08812731      6.04718672    -11.40711060
  H     14.23959503      7.24054883    -10.96997830
  H     15.83153822     10.31792374    -12.81554097
  O     15.28736092     10.47512766    -18.16402526
  H     15.24312632      7.87669023     -9.98629342
  H     16.72678037     12.26546567    -15.93707976
  O     15.03699878     10.24741403    -12.26416966
  H     19.40972645      6.98288845    -16.22995818
  H     17.89688920     11.48942065    -16.56948665
  O     17.63485916     11.97600336    -15.77870810
  H     19.62873873      5.64785792    -15.49276645
  H     14.60663739      8.98370933    -17.56377711
  O     14.33108964      8.16523403    -17.11860610
  H     15.94126187      4.98108998    -15.18860179
  H     14.76388742      7.42619545    -17.56275374
          69
 Energy    -249.70981772768175     
  O     -1.83868847      0.83675914     -3.90869282
  H     -1.09714350      1.28283712     -3.48420231
  H     -5.91552264      0.94070339      3.57515963
  O     -5.58364729      1.62372771     -1.45317214
  H     -1.84516926     -0.05136973     -3.52274327
  H     -2.30459317      3.56075768      2.01582367
  O     -3.06797061     -0.50264360      2.15043331
  H     -5.34205496      2.52511487     -1.20369127
  H     -1.53435852      3.30570036      0.70543877
  O      0.33746660     -0.30964256     -0.14134954
  H     -5.30561626      1.49896366     -2.37075541
  H     -1.25660617      2.64251432     -1.44218253
  O     -2.16139873     -1.44066615     -2.35623197
  H     -3.77454895      0.02692714      2.53944351
  H     -2.46289954      1.95547274     -0.78184100
  O     -3.18168375     -2.90127912      0.78406537
  H     -2.21994003     -0.07376660      2.33393510
  H      2.44370585      1.10548936      2.08168467
  O     -0.76332264     -2.90691599     -0.41343569
  H     -0.07156255      0.07244394      0.64815863
  H      1.82413134      2.41133767      2.60588027
  O      0.18876971      1.77855963     -2.10067873
  H      0.00494700     -1.21077131     -0.22930038
  H      0.28673277      3.96782025      1.85842397
  O     -0.66290356      0.83467136      2.22497891
  H     -2.50459485     -0.80968449     -1.70195699
  H      1.38546178      4.96572029      2.28523573
  O      2.94889271      0.46877506      0.33348520
  H     -1.61947218     -2.06511010     -1.86386900
  H     -3.88436274     -1.74177367     -2.90056091
  O     -6.42672643     -0.02724532      0.60773125
  H     -3.16101911     -2.15420525      1.39976554
  H     -4.92362820     -0.76325823     -3.44853222
  O     -5.32142214      1.02781664      2.83419633
  H     -4.02066206     -2.83321567      0.31385220
  H     -4.54859998      2.70350558      2.41400787
  O     -1.41253832      3.46507502      1.65248031
  H     -1.62378634     -2.96084974      0.04230419
  H     -4.39262667      3.74219996      1.27949562
  O     -2.06591784      2.82449586     -0.94884371
  H     -0.36222196     -3.76857939     -0.34414755
  H     -6.29477291     -3.21737501     -0.71421752
  O      1.94304010      1.47649365      2.81904451
  H      0.90278989      2.32909376     -1.74703638
  H     -5.43529444     -2.19162477     -1.48435756
  O      1.24778403      4.10941214      1.88785237
  H      0.17710713      0.98717489     -1.54507098
  H     -3.22867284      0.04176088      0.38881946
  O     -4.83724180     -1.62686103     -3.03223399
  H     -0.98075997      1.73346912      2.06503464
  H     -4.11581511      0.64457577     -0.75049010
  O     -4.09563108      3.52003235      2.16968880
  H      0.22907151      0.92804340      2.58925040
  H     -3.58579950      3.75010188     -0.84341820
  O     -5.67876604     -2.49859085     -0.59348333
  H      3.59117950     -0.16020006      0.01522770
  H     -4.51803542      4.97563793     -0.99321659
  O     -3.21985826      0.36803227     -0.51953166
  H      2.07195281      0.10895805      0.11822862
  H     -3.58355314      1.09069658     -3.98631761
  O     -4.48160243      4.08262112     -0.65955533
  H     -6.21744899     -0.90716677      0.27135918
  H     -4.80623919      1.38137335     -4.88181745
  O     -4.55677744      1.10922584     -4.00240054
  H     -6.33908681      0.57441841     -0.14452960
  H      1.88269121      3.50637954      0.16590959
  O      2.15404018      3.04934251     -0.63901711
  H     -5.77781114      0.64852033      2.06105118
  H      2.58566568      2.23888453     -0.33959430
          69
 Energy    -249.70977482477514     
  O     15.04314860      4.03730641     -9.73599756
  H     15.03042054      3.18457304     -9.28306655
  H     13.88575890     11.16271112    -10.09394807
  O     12.63297088      4.09144733    -11.18789429
  H     14.20271442      4.11113127    -10.20898951
  H     15.00359012      7.18009545    -13.43497020
  O     17.08862300      3.47897860    -11.54431605
  H     12.11191414      4.88854260    -11.03580219
  H     14.57086172      7.27814210    -11.92997187
  O     11.75321880      7.72781438    -13.44007852
  H     12.94950224      4.15300400    -12.10160289
  H     12.90877200      7.50352977    -10.44688187
  O     13.13405892      1.30999275    -11.04964855
  H     16.37871677      3.69228465    -10.92155763
  H     14.35629933      7.53754995     -9.81252028
  O     15.02038948      1.34563513     -8.88733088
  H     17.48423599      4.32292132    -11.79790622
  H     14.14796988      0.69996756    -12.35221702
  O     16.73706472      9.81358863    -11.79175035
  H     12.26949089      8.54731221    -13.47064272
  H     14.46472693     -0.43540284    -13.35290008
  O     13.77108622      4.51080896    -13.65365002
  H     11.97350177      7.23713053    -14.23824304
  H     10.48238376      6.80885079    -10.72839610
  O     16.03346966      9.85959330    -14.57724464
  H     12.80133529      2.21625980    -11.07874598
  H     11.46241131      6.99507302    -11.91238803
  O     15.27748924      7.36816071    -15.33175853
  H     13.64395105      1.24529117    -10.23244789
  H     16.73233711      6.23925785    -12.42536165
  O     17.01472471      5.25949661    -15.02607608
  H     15.17531775      0.84784827     -8.08960788
  H     18.02611821      6.63409670    -11.70741483
  O     14.19456126     10.62371771    -10.81662444
  H     15.69552171      1.06578322     -9.53174781
  H     15.54333917      1.90748414    -13.81455085
  O     15.00236437      6.71982668    -12.58607073
  H     15.93443023     10.19434339    -11.41398750
  H     16.35821365      3.02499524    -13.13787479
  O     13.72764564      8.00740065    -10.38411673
  H     16.60452662      9.81946615    -12.74699221
  H     16.21186618      0.49822179    -11.65077664
  O     14.80362957      0.38231658    -12.99864413
  H     14.46087043      3.85857488    -13.83493320
  H     17.08470967      1.65168418    -11.12428843
  O     11.36666559      6.60672890    -11.02214591
  H     14.20528469      5.26693607    -13.22634641
  H     12.28137371      5.66528675    -16.30894958
  O     17.67987598      6.03397370    -12.37775646
  H     16.43513100     10.36851109    -15.27694061
  H     13.03729613      5.43994354    -14.97669375
  O     15.89908195      2.79292905    -13.95982161
  H     15.82983158      8.98497177    -14.95089251
  H     16.51937118      6.98981237     -9.43135562
  O     16.75523548      0.76948965    -10.90088975
  H     14.41332089      7.02988155    -15.59263774
  H     15.58095592      5.75916890     -9.22510843
  O     12.74736801      6.11849567    -15.61123130
  H     15.90055399      6.62391661    -15.33572879
  H     18.71526056      8.31483935     -9.85048207
  O     15.68061529      6.70460128     -9.05031485
  H     17.46894601      5.51971981    -14.21302019
  H     17.57039053      8.60695798    -10.84732030
  O     18.00321009      7.90222288    -10.33184276
  H     16.69846221      4.36167954    -14.87221757
  H     13.56185850     10.32215580    -12.57992844
  O     13.38243155      9.97130139    -13.46116583
  H     13.98695693      9.69851168    -10.58955565
  H     14.22120618     10.03257254    -13.93183194
          69
 Energy    -249.70922804332059     
  O     -4.34825226      0.15253764      3.62746837
  H     -4.05369240      1.07299238      3.65764714
  H     -2.97454802      1.23278169     -1.49938762
  O      0.08018003      3.26746737      2.12719871
  H     -3.56118304     -0.40321000      3.54676505
  H     -5.22099027      3.88343984     -0.34483935
  O     -2.14110306     -1.39206826      3.06718144
  H      0.62649502      4.02781598      1.94420477
  H     -5.37553280      4.36624331      1.12141013
  O     -4.35168568     -1.55341597     -2.34767373
  H     -0.76791787      3.42080933      1.67719288
  H      0.61043442      1.43993148      1.98138673
  O     -2.48782902     -2.99201104     -0.72001887
  H     -1.81111605     -1.15965062      2.18695709
  H      0.24074437      0.04039630      1.42109337
  O     -4.86731341      0.54302836      0.92828138
  H     -1.44954727     -1.13601249      3.68980544
  H     -6.28666101      4.49302172      3.57157738
  O     -8.15243978      1.03797030     -0.84355638
  H     -5.15341701     -1.56787716     -1.80868938
  H     -5.16029831      3.50201106      3.20946290
  O     -3.51669052      2.81134023      3.43837629
  H     -3.68603231     -2.04677354     -1.85316911
  H     -3.16397709      3.97382102      0.69971500
  O     -3.98331702      1.03834223     -3.04655851
  H     -2.12928421     -3.84083793     -0.96661309
  H     -2.37366133      2.69233241      0.36149435
  O     -6.45495498     -1.18967657     -0.51102544
  H     -2.98865325     -3.12920186      0.10481327
  H     -7.00896708     -1.29280309      2.87416607
  O     -6.63263619     -2.80123564      1.71694786
  H     -5.63852915      1.11840586      1.00786480
  H     -6.14950837     -0.26160347      3.61952561
  O     -2.69272269      1.21001107     -0.57790482
  H     -4.64198663      0.28458529      1.83129457
  H     -0.77700753      1.50504321      4.73271997
  O     -4.83048915      4.45519523      0.33325655
  H     -9.05445024      1.27494386     -1.04205860
  H     -0.58672627      2.76112447      3.86651455
  O      0.79447564      0.49619455      2.06913797
  H     -7.97880548      1.33187894      0.06924030
  H      0.68728124     -0.61848423      5.07050590
  O     -6.02692828      3.83910325      2.92710306
  H     -2.74128679      2.72564240      4.01263322
  H      0.36804402     -0.02637541      3.67504915
  O     -2.37438591      3.46667179      0.94192303
  H     -3.17068124      2.99620606      2.55442434
  H     -7.01435150      2.49406286      2.12399198
  O     -7.05372361     -0.44010401      3.32183969
  H     -4.11746611      0.08945239     -2.87112989
  H     -7.35273171      0.97470361      2.28077413
  O     -1.08653409      2.41086114      4.61552236
  H     -3.77361157      1.12175013     -3.97264298
  H     -3.30463448     -2.69588414      2.29741688
  O     -0.02185863     -0.27523351      4.53371819
  H     -5.79219309     -0.66561766     -0.03218588
  H     -4.72858421     -3.08385496      1.79929737
  O     -7.34870516      1.71905537      1.65716963
  H     -7.14709511     -0.56384999     -0.75786283
  H     -1.45941714     -1.58585764      0.02204898
  O     -3.78714809     -3.21310501      1.63988591
  H     -7.21853513     -3.54856219      1.62051219
  H     -1.63242472     -0.05521639      0.08591802
  O     -1.16423583     -0.79835352      0.49418774
  H     -6.65545263     -2.31726489      0.87458833
  H     -6.66054509      2.13892173     -1.45857150
  O     -5.85746412      2.66141576     -1.55674268
  H     -3.48455318      0.99243055     -0.05873388
  H     -5.26365629      2.14044477     -2.11022439
          69
 Energy    -249.70870442890754     
  O     14.24962073     12.26554962    -13.18973861
  H     15.14234484     12.53177115    -13.44154090
  H     19.19371837      6.13994164    -14.98368780
  O     14.61017256      6.35998743    -13.58819426
  H     13.95205607     11.67589254    -13.89621451
  H     16.44735368     11.19560740    -16.88452388
  O     18.65186972      7.80615347    -11.94007704
  H     14.07189513      6.29204493    -14.39304213
  H     17.15643351     11.82768216    -15.65529197
  O     19.21896496      9.42190652    -16.48533426
  H     14.09595848      6.84918452    -12.93378096
  H     15.40530225      7.83031349    -14.27642626
  O     15.54164688      8.89397907     -9.06870779
  H     18.57191497      7.81325752    -10.97834427
  H     16.28458044      8.27361114    -15.46731548
  O     13.19599491      8.04994656    -11.85661986
  H     18.10850732      7.06752559    -12.25345544
  H     16.65530032      5.40730299    -11.05324521
  O     17.27618708      9.99481908    -12.87987762
  H     18.55731059     10.13591924    -16.45943068
  H     17.00037241      6.16712264     -9.75778675
  O     14.63543780      7.91103135    -17.76748330
  H     19.89402034      9.70160538    -17.09873856
  H     12.11267138      8.38369849    -13.26928279
  O     13.90892678      6.57266979     -9.59687876
  H     15.28940894      9.48970427     -9.78705394
  H     10.73566808      8.65546824    -13.91244997
  O     17.25658894      7.42554997    -16.78761430
  H     14.91032910      8.16528576     -9.10123378
  H     19.68833780      7.78091196    -13.53656507
  O     13.07418279      6.64476760    -15.80106365
  H     13.29472137      7.51888590    -11.05573228
  H     19.76757607      8.31980875    -14.99642788
  O     18.60176117      5.42097382    -15.27295803
  H     13.75412155      8.83334736    -11.74000399
  H     17.61395636      5.40201854    -13.66055237
  O     17.30552446     11.31974968    -16.46192341
  H     16.78580155      9.54084027    -13.58419732
  H     16.21946140      5.81033536    -13.12298511
  O     15.81570803      8.60106368    -14.69006880
  H     17.84901370      9.32679295    -12.48400308
  H     17.15502114      8.21951554     -9.12444219
  O     16.36531301      5.55113878    -10.14302641
  H     14.65980880      8.87145562    -17.83733293
  H     18.46144892      7.83992673     -8.38745954
  O     11.66778850      8.59568624    -14.10668335
  H     15.54847017      7.64222751    -17.60047513
  H     14.19255948     11.40642870    -18.12231751
  O     20.00260273      7.57671188    -14.42688977
  H     13.45153637      5.99796218     -8.98903378
  H     14.22781748     10.72341006    -16.73549179
  O     17.13372386      5.62768029    -12.85576076
  H     14.75193582      6.13532702     -9.81467671
  H     15.75055842     10.08541655    -11.84536361
  O     17.99487323      7.73392635     -9.21203268
  H     17.97075583      8.07607680    -16.81973699
  H     14.52425833     11.00666951    -11.89418183
  O     14.71588434     10.83063214    -17.56995737
  H     17.61895182      6.64120216    -16.35712556
  H     17.21117944     11.66273462    -13.47044663
  O     14.87926590     10.22399841    -11.45040737
  H     13.54373488      7.07782769    -16.52948065
  H     17.64738740     13.14574061    -13.51282657
  O     17.03550869     12.52100950    -13.89459583
  H     12.47266028      7.29593244    -15.42537487
  H     12.87423544      9.79267404    -14.84272836
  O     13.65472983     10.28784263    -15.11862525
  H     19.15691004      4.71066501    -15.58367957
  H     14.41658365      9.70489485    -14.97384193
          69
 Energy    -249.70853218092185     
  O     14.41228740      9.97275114     -9.44062239
  H     14.69648163     10.87849764     -9.24585926
  H     11.30536951      4.24889193    -12.83433632
  O     17.08164487     12.76073607    -12.73102694
  H     15.11962186      9.58533032     -9.97132406
  H     10.80594642      9.68793396    -11.58336215
  O     11.81849149     11.11206005    -15.14877264
  H     16.38523137     13.31512785    -12.35784838
  H     10.32250970      8.23900472    -11.37690922
  O      9.92724975      9.06581773    -14.49886254
  H     17.45150389     12.27071244    -11.98662091
  H     14.30993171      6.81939146     -9.86104741
  O     13.49823198     12.18377557    -13.30252210
  H     12.49194081     10.72328294    -15.71975724
  H     14.34649401      7.19659018    -11.35415387
  O     15.80356702     11.16952117    -14.55920236
  H     11.16667823     10.42307992    -14.97336608
  H     14.18995425     13.42120218    -12.22117154
  O     15.50367837     12.46420846     -9.34097954
  H      9.01924075      9.12643631    -14.78221761
  H     14.36323353     14.86793416    -11.70932582
  O     16.61846245      8.84190209    -10.91078972
  H      9.92128918      9.08718681    -13.52289458
  H     14.37210042     10.62247476    -17.41842479
  O     14.77757722      4.94350841    -12.82258522
  H     14.31344883     11.83314278    -13.68594792
  H     14.79024681     10.61775643    -15.93366429
  O     17.87893699     11.25142263    -10.42069646
  H     12.79176575     11.94289868    -13.92110971
  H     11.43782624      6.11751998    -11.14300922
  O     13.52591700      8.24681716    -12.62178432
  H     15.98051584     10.27023897    -14.24460755
  H     11.73123680      7.01662755     -9.91523323
  O     11.93759725      4.94154842    -12.65776044
  H     16.36095431     11.76568947    -14.03852699
  H     16.64126746      5.54788979    -15.30926693
  O     10.10860540      9.06629188    -11.83130268
  H     15.19007725     13.04763255    -10.04345381
  H     15.58112787      5.67539176    -14.19094576
  O     14.83943739      6.72645107    -10.66139114
  H     16.38252017     12.17180438     -9.61455223
  H     14.58959215      6.99806351    -15.87799561
  O     14.72010777     13.98641700    -11.63436651
  H     16.21386157      8.00026582    -10.66149838
  H     13.98294500      8.34225031    -16.36589419
  O     14.17668997     10.22174218    -16.57412327
  H     16.56510840      8.85763485    -11.87758496
  H     12.42835145      7.09082717    -15.15845184
  O     11.05237730      6.77790653    -10.55623484
  H     14.97177928      5.39357749    -11.99002680
  H     11.09425845      7.65188057    -14.54908059
  O     16.02340213      6.15652528    -14.91357514
  H     13.82124120      4.81098149    -12.81200342
  H     12.92195346      7.61445795     -7.72208483
  O     13.78577958      7.40901724    -16.21821058
  H     17.51040859     10.36154974    -10.54502186
  H     13.49866051      8.51798871     -8.83251423
  O     11.78415322      6.98581506    -14.44080446
  H     18.74588567     11.13657507    -10.03883580
  H     15.11387441      8.54655340    -13.31143084
  O     13.10597188      7.64687180     -8.65777820
  H     12.90576358      7.82246396    -13.22619871
  H     16.22565681      7.81516134    -14.09458129
  O     16.03747044      8.62349509    -13.60382940
  H     13.07160260      8.99363772    -12.21256838
  H     12.80640170     11.14208491    -11.98125472
  O     12.45187181     10.49249308    -11.35958396
  H     11.80536434      5.62042277    -13.34287618
  H     13.07881881     10.41137420    -10.62994414
          69
 Energy    -249.70801149202526     
  O     13.16982149     11.95210291    -16.25022261
  H     13.61742365     11.20504411    -16.68156137
  H     13.86281374      6.96756883    -19.73791660
  O     11.65659689      7.44061287    -13.70437475
  H     13.84798660     12.59358288    -15.98548259
  H     12.77744252     12.39109816    -18.14332941
  O     13.44095207     11.00413997    -13.57958189
  H     11.40571555      7.35874634    -14.63355761
  H     11.76791934     11.78195943    -19.11963028
  O     10.78968169     10.49109696    -15.96360525
  H     11.25548904      8.26519467    -13.40385322
  H     17.29749492      9.24121192    -18.43616964
  O     11.28042628      7.77584124    -16.53083344
  H     13.33906835     11.35353180    -14.47452590
  H     16.61828857      8.03458451    -19.12659435
  O     17.03887494     10.28368509    -16.87644813
  H     14.24717150     11.39906543    -13.22399933
  H     14.20654740      9.86099578    -18.43701478
  O     13.99906239      7.31133190    -16.49822707
  H     11.54512405     11.08612184    -16.06957537
  H     14.20625964      8.97389409    -17.15523750
  O     15.25168080     13.43387047    -15.36939738
  H     10.61844611     10.43129508    -15.01607747
  H     16.09660842      9.01569654    -14.05636872
  O     13.77072008     10.01165249    -20.23709180
  H     11.13826652      8.71325263    -16.33771662
  H     16.96432878      9.80434914    -15.07784867
  O     14.27855069      8.29896000    -13.93519325
  H     10.93840715      7.63385941    -17.42243717
  H     14.98124687      6.74489122    -17.86548633
  O     16.34067667     10.71954359    -21.03659743
  H     17.22537012     11.22041921    -17.01646198
  H     15.80200832      5.67486637    -18.61750987
  O     13.06933523      7.35872322    -20.11710792
  H     16.09997917     10.16318233    -17.08784762
  H     15.76981679     12.23080292    -20.06442657
  O     12.60636247     12.27133027    -19.08465445
  H     14.22697081      7.56631700    -15.59353126
  H     14.48545786     12.84684670    -19.45588981
  O     17.15359433      8.81949832    -19.29375090
  H     13.03359827      7.35583859    -16.56392129
  H      9.92463398      7.22980813    -19.76582971
  O     14.37997687      9.86332408    -17.48752578
  H     15.58913010     13.06245478    -14.54514348
  H     11.43267778      7.52311940    -19.58124672
  O     16.78843198      9.68308876    -14.13457272
  H     15.97395423     13.38559383    -16.00867316
  H     16.55976979     13.06789900    -18.14310687
  O     15.45713665      6.56174182    -18.69332204
  H     14.60897617     10.25762904    -20.64882840
  H     17.89811247     13.65353884    -17.63308075
  O     15.44615290     12.91451361    -19.46291490
  H     13.31539092     10.82381437    -19.97720456
  H     11.76735399     10.49471042    -13.15433999
  O     10.54523393      7.71401545    -19.22790914
  H     13.45273003      7.83519214    -13.72912488
  H     10.42441336     10.57663745    -12.39184084
  O     17.18607127     13.06510654    -17.39656751
  H     14.06021190      9.23482874    -13.83543751
  H     16.50776812     12.21604864    -12.23301533
  O     10.85194108     10.16774506    -13.14024167
  H     16.82199691     10.66287280    -21.85723635
  H     16.36344625     11.18123542    -13.37690425
  O     15.99067476     12.00139851    -13.00411255
  H     16.69773408     10.02938750    -20.44816589
  H     10.34309923     10.59276107    -17.83736606
  O     10.44399671     10.59131750    -18.79784183
  H     13.28878148      8.28950689    -20.27627037
  H     10.44543602      9.66168132    -19.05340592
          69
 Energy    -249.70690053588163     
  O      1.64963155      0.87631228      3.80784197
  H      2.36115507      1.24885090      4.32063421
  H     -4.95233441      0.06552366      4.52874989
  O     -0.93440793     -1.59118372     -3.00381126
  H      1.07962458      0.38483837      4.42986073
  H     -2.24439582      2.09908984      5.32446448
  O     -0.03373701     -0.39993551      5.43771854
  H     -1.55139221     -1.19112278     -2.37344950
  H     -2.90240262      0.77137305      5.71903997
  O     -2.25318159     -0.50545566     -0.79904054
  H     -0.73471917     -2.46385633     -2.64565297
  H     -3.48015967      0.36197790      1.40715039
  O     -0.16036423     -3.91268562     -1.43528496
  H     -0.75894422      0.19701051      5.67802169
  H     -4.42830004      1.54378872      1.14974975
  O      1.87634914     -2.21208244     -0.83337135
  H     -0.39762474     -1.28890900      5.39123442
  H     -1.69378663      0.65609389      2.68702245
  O     -4.88452869      2.75309389      2.43534977
  H     -1.46169400     -0.03982386     -0.49547924
  H     -1.73139130     -0.88684560      2.63365589
  O     -3.70609219     -3.04285378      4.53431900
  H     -3.01121782     -0.01756849     -0.44918789
  H     -1.57159100     -3.51180849     -0.30102664
  O     -0.48206722      2.05639422      2.39885268
  H      0.19798089     -4.73484294     -1.75893971
  H     -2.29533006     -2.16590515     -0.07672186
  O      1.20530796      0.02411714     -2.52673908
  H      0.59960345     -3.35756918     -1.18298115
  H      0.82603164     -1.48528065      1.94904335
  O     -6.47815156      0.71158005      3.72217962
  H      1.81782248     -1.46084453     -1.43613671
  H      1.76858283     -0.33164037      2.37129514
  O     -4.10282313     -0.30792111      4.79339508
  H      1.92987342     -1.83423597      0.05451635
  H     -2.23684499      4.30479279      3.97058613
  O     -2.13984972      1.33700415      5.90489337
  H     -4.12126235      2.97309848      2.98269913
  H     -1.72136701      3.01894311      3.29191225
  O     -4.10981497      0.71793465      0.76006149
  H     -5.45713964      2.18900412      2.97027849
  H      0.62752111      0.19332548      0.53209831
  O     -2.29073588     -0.10209286      2.67697663
  H     -4.01048734     -3.23098912      3.63938114
  H      0.52640554      0.73626129     -0.90992905
  O     -2.21350446     -3.06821164      0.26833676
  H     -3.95985831     -2.12779336      4.72379831
  H     -2.04125220     -3.13109182      4.94483236
  O      1.54997873     -0.91828722      1.63795284
  H      0.28370516      1.75310588      2.90584709
  H     -0.85321037     -3.80004074      5.67859466
  O     -2.42849815      3.37663435      3.85320801
  H     -0.32116940      1.81776633      1.47597000
  H     -1.17304686     -2.76937679      1.77027066
  O      0.12560684      0.79893919     -0.03415047
  H      1.58246762      0.40778236     -3.31349206
  H     -0.75302345     -2.76297060      3.29819723
  O     -1.07356114     -3.11006375      5.05912714
  H      0.44984702     -0.52034133     -2.81268984
  H     -3.70874726     -3.38924930      1.22733777
  O     -0.61889319     -2.34540230      2.43740387
  H     -6.42133381      0.04656355      3.01201606
  H     -4.92110867     -4.29422791      1.52314496
  O     -4.48308455     -3.49288430      1.80291969
  H     -7.39186363      0.75055687      3.99088358
  H     -5.44898017     -0.46741481      1.22153857
  O     -6.04055217     -1.05875924      1.70931317
  H     -3.49773775     -0.20325289      4.04233655
  H     -5.58174282     -1.90386540      1.76279214
          69
 Energy    -249.70624469494311     
  O     10.73188634     -4.45628326     -0.83114420
  H     10.72483493     -3.51114796     -0.62620982
  H      6.63745386     -6.69819927     -3.94596408
  O      8.61415697      1.82932255      1.15723339
  H      9.80259958     -4.72059211     -0.83797135
  H     12.46504969     -5.25671878     -3.36429750
  O     11.56778375      0.22631639     -2.26059759
  H      8.47568659      2.35472331      1.94102816
  H     11.40616013     -4.62990416     -2.42797867
  O      6.27949358     -3.11328715      0.33443737
  H      8.00711922      2.17253430      0.47656919
  H      8.76142713     -1.15269939      0.09427840
  O      8.65188526     -2.52554671     -2.89902985
  H     12.01096440     -0.49278617     -2.73514573
  H      8.15279566      0.03959091      0.86528940
  O      7.94184068     -4.68235289     -1.28179890
  H     10.89032734      0.54904794     -2.87076068
  H      9.70646586     -2.01537209     -1.57281664
  O      9.13458086      3.45140513     -2.69348089
  H      6.84579209     -2.36508973      0.56462451
  H     10.77390408     -0.99790546     -1.14705091
  O      7.32189318     -0.28088546     -3.91339056
  H      6.85235451     -3.77285507     -0.08042898
  H      9.33499914     -1.83008057     -6.39225116
  O      7.02175949      2.58608097     -0.91761784
  H      8.17727283     -1.77743351     -3.27825086
  H      8.89273330     -3.26676136     -6.04020455
  O     10.71079293      2.43980382     -0.73895695
  H      8.91168387     -3.10535474     -3.62526885
  H     11.80990818     -1.61055246     -4.65213631
  O      9.63987751      1.11784634     -4.15507010
  H      8.10905791     -3.86779779     -1.78193408
  H     12.13165396     -2.80751822     -3.72794053
  O      7.10433170     -5.90653177     -3.69367666
  H      7.62985859     -5.31257219     -1.94072482
  H     10.38604663      0.04903616     -5.38243364
  O     11.71016200     -4.67393701     -3.35200621
  H      9.29218943      4.38030168     -2.84022287
  H     11.26161161     -0.18784173     -6.63118560
  O      7.93557036     -0.81294072      0.46948489
  H      9.73914600      3.17256321     -1.98077012
  H      5.59665834     -3.12585982     -4.56858896
  O     10.20818437     -1.70007941     -0.80366913
  H      6.80558432     -0.14798026     -3.10544355
  H      5.10922953     -3.29665188     -3.10825123
  O      8.61556035     -2.46328751     -6.50280581
  H      6.76712007     -0.70332270     -4.58020096
  H      6.97429871     -2.07526528     -6.16399296
  O     12.32479562     -1.87614323     -3.88066655
  H      6.56829035      1.78643202     -1.21422909
  H      5.56532818     -1.64674247     -6.64620263
  O     10.73813315     -0.63845262     -5.97189039
  H      7.59687990      2.87361778     -1.63682158
  H      8.64641491     -5.11730320     -4.43823517
  O      5.44084425     -3.77855548     -3.87542538
  H     11.15812917      1.66747579     -1.11054403
  H     10.15831602     -4.69927930     -4.34255682
  O      6.07736233     -1.83490125     -5.86457784
  H     10.15125488      2.13116594     -0.01651199
  H      6.73733035     -0.32047123     -0.82587035
  O      9.31710386     -4.51222744     -4.78081595
  H      9.48237795      1.99661976     -3.78943638
  H      5.42012001     -0.73412813     -1.52854198
  O      6.08887038     -0.03967122     -1.48951711
  H      8.79910851      0.63864450     -4.08678993
  H      3.60811826     -2.49068192     -1.24492714
  O      4.50232513     -2.37261551     -1.55512460
  H      6.47198212     -5.16820353     -3.77590907
  H      5.08958375     -2.68823722     -0.84321554
          69
 Energy    -249.70593060646135     
  O     11.88798980     10.09702227    -15.37314888
  H     12.31955342     10.95832383    -15.40037021
  H     18.57094566      9.31598771    -13.37509947
  O     16.22074482      6.50309699    -13.11827199
  H     12.47056263      9.49579434    -15.85899340
  H     15.80033752     11.13010697    -17.19105276
  O     16.67006783     11.17112986    -11.46607844
  H     16.97164525      6.57148909    -12.51686551
  H     16.62710856     12.09551763    -16.30369075
  O     18.40861811     12.19105978    -15.62601606
  H     15.42604062      6.49522619    -12.56662331
  H     15.79465660      8.07102918    -13.94696928
  O     13.39970505      5.64117868    -16.04543140
  H     16.26031443     10.81897089    -10.66857046
  H     16.49490816      9.16656557    -14.78072855
  O     15.01993341      9.92044437     -9.49138745
  H     15.95133437     11.24622620    -12.11207710
  H     11.28926111      9.29106129    -13.97605052
  O     14.03535812      6.77540247    -11.43567218
  H     19.03351558     12.76240603    -16.06576029
  H     10.05565103      8.86570143    -13.14369330
  O     14.56467939     11.06222613    -13.21056636
  H     18.53619991     12.32119303    -14.67097917
  H     15.77225439      8.12900348     -9.41277602
  O     17.80155926      7.55119123    -17.19831239
  H     12.85350808      4.97019844    -16.44570053
  H     16.79913089      7.12790785     -9.99027218
  O     18.27123333      9.41305789    -15.17883687
  H     13.01831468      5.82443991    -15.16770535
  H     11.82191473      7.09204917    -13.54130922
  O     16.24765241      5.79467756    -15.82708201
  H     14.28110132      9.76606305    -10.10304008
  H     12.89718456      6.25513110    -12.83234067
  O     18.65822279      9.36909013    -12.41248437
  H     14.63989535     10.28791536     -8.69632762
  H     19.29358707     11.43620269    -12.75277593
  O     15.74284488     11.92827801    -16.64510104
  H     14.63370396      6.74811959    -10.67470731
  H     18.04385788     12.18960388    -12.35256455
  O     15.63643601      8.88886610    -14.43602902
  H     13.72002274      7.68779196    -11.48742800
  H     19.08686987      6.52636984    -11.03191567
  O     11.00524296      8.79326985    -13.18721902
  H     14.91623785     10.29640356    -13.69324522
  H     18.49212654      7.83526679    -11.60611153
  O     15.96178072      7.18807185     -9.51354290
  H     14.15797638     11.64618252    -13.86024479
  H     15.03488043      9.12170052    -17.65005226
  O     12.35512057      6.29325388    -13.63085835
  H     18.34128742      7.05423098    -17.80716328
  H     16.53370992      8.86692190    -17.85361402
  O     18.82870047     12.26401824    -12.91275286
  H     17.24099563      6.90454196    -16.73257613
  H     12.30182424      9.25040890    -11.93054807
  O     18.26477300      6.97165553    -11.21938349
  H     18.24351092      8.80475007    -15.92940521
  H     13.59779211     10.06914216    -12.08549973
  O     15.84247961      9.52109435    -18.00294418
  H     18.36289582     10.31565836    -15.50896090
  H     14.27257659     12.30410193    -15.86521933
  O     13.13277432      9.46415439    -11.48773500
  H     16.32289729      5.91482106    -14.87046491
  H     13.19471349     13.37014314    -15.55380555
  O     13.46614878     12.48105586    -15.34492353
  H     15.30766718      5.65387186    -15.99101435
  H     14.43123981      8.54993321    -15.76589901
  O     13.78708526      8.39194033    -16.47319169
  H     17.94519415      9.94134169    -12.09391872
  H     13.59530279      7.44692986    -16.45933445
          69
 Energy    -249.70576038914390     
  O     12.16598487     11.59832494    -11.40329416
  H     11.45531395     11.29796727    -11.98381645
  H     16.82254789     11.83361694    -15.19561938
  O     13.31986417      7.51520444    -15.03220489
  H     12.91956493     11.77928031    -11.98052087
  H     16.33688228      8.57468924    -15.09582518
  O     18.62194324      9.44631697    -12.67274063
  H     13.47555513      7.08768761    -15.88462944
  H     15.97044875      8.91246121    -13.60689980
  O     17.29191561      8.52882480    -16.74885048
  H     14.19381955      7.82374721    -14.74213954
  H     12.34198110     10.41636135    -10.14719874
  O     12.47320065     10.13821259    -14.87833828
  H     17.76439519      9.71968437    -12.31404853
  H     12.12437740     10.00713475     -8.67084120
  O     12.93709500      6.59444883    -12.45350192
  H     18.71534995      8.52180363    -12.42430730
  H     19.39255557      6.31632656    -11.34304769
  O     15.95850116      9.91724333    -12.05236847
  H     17.36144456      7.56705552    -16.78283915
  H     17.89017807      6.58211847    -11.10728011
  O     15.17426275      9.08830110    -18.49745467
  H     16.63141944      8.77333097    -17.41150916
  H     11.46575213      7.51886561    -11.79998423
  O     15.04905310      4.84476256    -12.07259998
  H     12.67659159      9.19554076    -14.96528684
  H     11.26943659      8.58260188    -10.69843513
  O     14.34211487      6.56470077    -17.41218640
  H     11.65080329     10.20609862    -14.37872315
  H     18.01573765      9.95703793    -15.77963320
  O     17.03632691      5.69010131    -16.66352541
  H     13.54619469      5.85130771    -12.33947861
  H     18.39531922     10.25980220    -14.30528373
  O     16.07342568     12.45337014    -15.26004215
  H     12.97116331      6.84890076    -13.38638909
  H     16.51466141      6.68648573    -14.02686808
  O     15.82304936      8.29108477    -14.32952028
  H     15.42652129      9.32863443    -11.50216814
  H     17.66538575      5.99655783    -13.27060063
  O     12.39446144      9.67127372     -9.52084325
  H     15.36413908     10.59254652    -12.40742709
  H     15.73021451      7.03935400    -10.16490798
  O     18.59981317      6.63786080    -11.76689972
  H     15.11656410      9.36910508    -19.40651558
  H     16.39283964      6.17049147     -9.07460717
  O     10.84608415      8.18279093    -11.46699066
  H     14.78469860      9.80094673    -17.95874848
  H     13.51189919     10.78221079    -16.28432372
  O     18.09101602     10.66637914    -15.12901487
  H     15.50593985      5.16673656    -11.28832222
  H     14.84295229     11.56196408    -16.40784200
  O     16.97212398      5.83650919    -13.92206450
  H     15.65633652      5.02344703    -12.80275677
  H     13.89685834      7.61161996    -11.29808297
  O     16.44191447      6.39728666    -10.00021193
  H     15.19493034      6.16654356    -17.20294390
  H     13.75927436      8.63679107    -10.13533088
  O     14.21251827     11.02585730    -16.90350123
  H     14.54862027      7.39259044    -17.86534228
  H     14.85074550     12.05872431    -13.92736718
  O     14.39483358      8.09944266    -10.62535506
  H     17.05101421      5.60459168    -15.69573359
  H     13.63544653     11.09866170    -13.85344168
  O     14.22353583     11.65105146    -13.31683447
  H     17.48854456      4.92625539    -17.01278476
  H      9.34987364     10.35392942    -13.24649489
  O     10.28995837     10.26419865    -13.11664552
  H     16.44416924     13.31000604    -15.45431510
  H     10.42432530      9.47212924    -12.56544992
          69
 Energy    -249.70538800599536     
  O     15.40922511     11.38070616    -16.56514849
  H     14.79434822     11.10898290    -17.24140993
  H     15.08208877     13.06564200    -15.59412275
  O     20.14564135     16.05212596    -15.07397947
  H     16.19140115     11.73540089    -17.02421565
  H     18.50522844     12.09081110    -17.53892411
  O     20.74295238      9.14207870    -15.13862470
  H     20.43320745     16.83750354    -15.53199824
  H     17.69726627     13.32936001    -17.12973811
  O     18.93663164     12.67162134     -9.76707872
  H     20.69257094     15.31569933    -15.40457951
  H     17.60756291      9.81208512    -10.32185277
  O     15.20634163     13.71663162    -12.32529156
  H     20.90701211      9.76870141    -14.41135702
  H     17.59773479     11.27721744     -9.83059685
  O     18.83444733      8.46554263    -10.84175391
  H     21.52028072      8.59293839    -15.20862775
  H     20.17786192     15.70438835    -13.21477677
  O     14.99174074     10.87614409    -11.89495995
  H     18.48547603     13.05793030    -10.53411247
  H     19.33037856     14.86210961    -12.22807821
  O     20.05719401     11.55766123    -16.49429238
  H     19.57483766     13.33973224     -9.49352579
  H     20.12290175      9.76589133    -10.48050989
  O     22.22640018     13.41533676    -13.06231946
  H     15.01303135     12.79049889    -12.14146903
  H     20.04223570     11.28633157    -10.18528689
  O     20.93696287     14.72599288     -9.70898068
  H     15.07316967     13.83358404    -13.27835184
  H     15.88172101     10.52328111    -13.45694949
  O     20.89162435     11.02194705    -13.16378853
  H     18.78001552      7.56777677    -10.52506667
  H     16.02175391     10.61963930    -15.01654666
  O     15.13558469     13.88590091    -15.09212903
  H     18.69841551      8.43276165    -11.80556268
  H     21.19588853     13.08212904    -16.13354852
  O     17.64042836     12.50679092    -17.63584328
  H     14.20048483     10.49566118    -11.52252205
  H     22.00942393     13.64220838    -14.93465048
  O     17.02901093     10.56343081    -10.14160900
  H     15.69315972     10.77464367    -11.22656438
  H     22.21896937     13.31034088    -10.07457785
  O     20.19883282     15.27593697    -12.35039686
  H     20.34209072     10.66218732    -16.27801466
  H     22.18662241     11.79785913    -10.35932597
  O     20.64346262     10.57893231    -10.46289619
  H     19.47038289     11.81175117    -15.76820061
  H     19.14862609      8.58213104    -14.16743082
  O     16.47128530     10.35171474    -14.20406323
  H     21.54670689     14.06724274    -12.84304252
  H     17.70385530      9.02103337    -13.82339098
  O     21.60167198     13.88154008    -15.77781247
  H     22.60698481     13.13608561    -12.21616367
  H     17.82288619     11.49750719    -14.14048672
  O     22.72172665     12.59214784    -10.47973639
  H     21.08576559     15.50703462     -9.18105622
  H     19.33001120     11.70424008    -13.73112142
  O     18.44053327      8.47143404    -13.52360228
  H     20.72528996     15.03445755    -10.60501519
  H     18.09526512     13.70598411    -15.05853340
  O     18.55648021     12.13008256    -14.12779233
  H     21.41662096     11.83244518    -13.21453620
  H     18.54407733     15.12195503    -15.47358021
  O     17.86080150     14.45836848    -15.61908994
  H     20.81446323     10.79485865    -12.22761761
  H     16.92272833     13.92401224    -12.04652610
  O     17.88616577     13.82330487    -12.02502358
  H     15.99639123     14.26665492    -15.31109333
  H     18.10714826     13.19780555    -12.72653688
          69
 Energy    -249.70524089638448     
  O     -3.54203869     -0.48869363      3.05868471
  H     -3.81793124      0.05250467      2.30095336
  H     -1.47581875      1.62137604     -0.16289796
  O      0.99409885      2.70902211      3.08144080
  H     -3.14841902      0.12965401      3.68645924
  H     -7.10114194      1.91675439      1.52426354
  O     -1.71196705     -1.89626424      1.59966781
  H      1.55724662      3.44652526      3.30369782
  H     -6.80597789      1.48102155      0.06002016
  O     -4.24428174      0.96969279     -2.76620482
  H      0.10837238      3.07451069      2.92278068
  H      1.36131264      1.32370845      1.80259691
  O     -2.23707219     -0.98967858     -2.38286354
  H     -2.33626458     -1.45384292      2.19357820
  H      1.32748671     -0.21468028      1.83516556
  O     -4.19468868      1.12338380      0.95106543
  H     -2.24261352     -2.36458758      0.93905826
  H     -4.75378303      3.46836198      3.68238673
  O     -7.19309283      1.27382403      3.26806492
  H     -3.55492481      0.29475615     -2.72815715
  H     -4.20525962      2.23794559      4.42691712
  O     -2.42132240      1.58856696      4.50778807
  H     -4.98284960      0.61847506     -2.25076212
  H     -2.34662412      4.09910829      2.66672513
  O     -3.49314339      3.44455351     -2.01814603
  H     -1.63933621     -0.63381659     -1.70439217
  H     -1.65916716      3.14967857      1.65773082
  O     -5.99620721     -0.01044656     -0.83417456
  H     -1.68410660     -1.41672471     -3.03351885
  H     -4.24212315      5.82407557      2.88666706
  O     -6.14640090     -2.56994664      0.27809102
  H     -4.92926616      1.74226501      1.03432556
  H     -4.38188129      4.74546602      1.78642170
  O     -1.91451935      2.45492774      0.05793080
  H     -3.42893021      1.62423701      0.64535758
  H     -6.61186720     -0.52021509      2.88901566
  O     -6.83672635      2.24297570      0.65383689
  H     -7.90309870      1.41023155      3.89024311
  H     -5.24338013     -1.20756177      2.97360161
  O      1.43655384      0.54134068      1.24299172
  H     -6.41889204      1.74812738      3.62235271
  H      0.29438496     -0.25029028      4.24067172
  O     -5.02205542      2.65252393      4.12116700
  H     -2.17103694      2.22988629      3.82899967
  H      0.53117161      1.26744697      4.28523541
  O     -1.60093277      3.49589395      2.56178126
  H     -1.59154374      1.17188943      4.78252013
  H     -0.17076870     -1.81329928      2.47656511
  O     -4.02040914      4.92134885      2.67395050
  H     -3.35902007      3.98904075     -2.78908636
  H      1.05459683     -2.46861107      3.15031149
  O     -6.15993739     -1.35022576      2.69850590
  H     -3.79797492      2.57559262     -2.33708006
  H     -3.16466348     -2.24126401     -1.14694549
  O      0.10945285      0.54076232      4.76112607
  H     -5.26230441      0.25785630     -0.25831653
  H     -4.30400158     -2.74313409     -0.21911433
  O      0.65923798     -1.62478594      2.94645615
  H     -6.19277408     -0.92233992     -0.58965468
  H      0.10414458      0.21121344      0.10284627
  O     -3.35519069     -2.79954182     -0.38485922
  H     -6.18162261     -2.17853560      1.16994471
  H     -1.14869406     -0.64895374      0.36927488
  O     -0.75692628     -0.03429548     -0.26737901
  H     -6.72861907     -3.32473802      0.28668033
  H     -4.56886117      4.06777778     -0.54843982
  O     -5.04846622      4.30433737      0.25324744
  H     -2.31507147      2.82802462     -0.73743177
  H     -5.80983515      3.70910864      0.31046274
          69
 Energy    -249.70520624878208     
  O     13.21675043      6.78028221     -8.87179767
  H     13.95647278      6.31277234     -9.28424556
  H     14.50927989      7.98467062    -14.87684131
  O     16.42265947      6.29601249    -16.71798189
  H     12.47562113      6.72149454     -9.48781118
  H     16.30589070     10.56718924    -12.99202872
  O     18.42285025      8.03331197    -13.77041687
  H     17.09019787      6.98385458    -16.82694069
  H     15.95618031      9.09680131    -12.74590836
  O     15.24441009     11.63390295    -14.18456831
  H     15.60024608      6.76852128    -16.52625740
  H     13.93946564      8.42980371    -12.51801853
  O     11.61814500      8.27406411    -15.11949604
  H     17.89149210      8.71164704    -13.33118725
  H     14.62547036      7.08655333    -12.91903289
  O     17.83102416      4.44007355     -9.72439317
  H     19.11879034      7.75634893    -13.16087909
  H     10.22004118      6.82879578    -10.67855984
  O     11.89395740      6.06916102    -13.23302423
  H     15.52500342     11.14145771    -14.97800375
  H     11.37349520      6.58731742    -11.68134007
  O     16.52308824      8.53049435    -10.06208121
  H     15.31106704     12.56010266    -14.40184999
  H     19.83128386      7.10858342    -11.07965368
  O     12.56001926     10.51538690    -13.84389467
  H     10.80139889      8.47601768    -15.56831093
  H     21.20608016      7.15068926    -11.78901789
  O     18.81638699      4.54806650    -12.24355834
  H     11.91896818      9.10105663    -14.70256485
  H     15.41858010      5.25402558    -13.30773608
  O     15.96501428     10.10734852    -16.29234616
  H     18.17538645      4.38925921    -10.63483596
  H     14.86122153      5.36452993    -11.86203443
  O     14.29694111      7.91827244    -15.81961432
  H     18.05304963      3.61758443     -9.29731106
  H     19.18184659      8.57126579    -16.85924403
  O     16.63347750      9.77100115    -12.55964836
  H     11.86331940      6.73751729    -13.92770885
  H     18.42606069      8.32994920    -15.53298948
  O     14.64583573      8.04285587    -13.05076373
  H     12.78231782      5.68896257    -13.22442475
  H     16.81447491      5.62383285    -15.08395232
  O     11.14890611      6.98771171    -10.82169115
  H     15.77295755      8.90105225     -9.58079036
  H     17.43764152      6.42523723    -13.93139549
  O     20.27380085      7.02625059    -11.94394034
  H     16.62853973      9.05513166    -10.86724481
  H     18.57390594      6.20781119     -9.47727032
  O     14.60033192      5.30405429    -12.79254578
  H     12.53497030     10.23954055    -12.91688541
  H     18.11798619      7.67363753     -9.66011725
  O     18.30848422      8.49351634    -16.48390227
  H     13.42750471     10.91382163    -13.97782595
  H     15.85746524      6.78325284    -10.26066401
  O     17.02191149      5.57817669    -14.13943336
  H     18.19271355      4.72800274    -12.96016634
  H     16.23385216      5.30538787     -9.98303350
  O     18.89944352      7.10560399     -9.61670684
  H     19.43044943      5.29198907    -12.23387386
  H     13.76386178      8.42293801     -8.75498779
  O     15.50137861      5.88448724    -10.22973378
  H     16.81500971      9.67728540    -16.44090863
  H     13.91344869      9.79907376     -8.05630806
  O     14.10096798      9.33160773     -8.86558022
  H     15.31564879      9.39042447    -16.26971272
  H     13.20592448      9.42860689    -10.53481563
  O     12.73531398      9.25017676    -11.35763405
  H     13.33539635      7.96932913    -15.85337702
  H     12.10141137      8.54569836    -11.16687236
          69
 Energy    -249.70512089866463     
  O     -1.23342341     -1.73952655     -1.32352507
  H     -1.34751489     -1.48178017     -2.23417057
  H     -4.43005341     -5.97569448      0.38150304
  O     -2.41929897     -0.11388937      5.76014950
  H     -2.10294684     -2.04477547     -1.00583928
  H     -0.76439731     -5.63737900      0.14678899
  O      2.35647617     -0.93687383      1.67786171
  H     -1.75817611     -0.74381830      6.08003566
  H     -0.86608936     -6.52441697      1.40522566
  O     -1.53551103     -0.23217663      3.14643888
  H     -3.26892779     -0.50679522      5.98593846
  H      2.63007067     -4.54206358      4.38529843
  O      0.89530526     -4.38722843      7.22026418
  H      1.54005800     -0.62460791      1.24593419
  H      2.01976820     -3.14632185      4.61827219
  O     -4.75279635     -1.77310274      6.33427926
  H      3.00132542     -0.24069979      1.58639725
  H     -0.44347630     -4.62080064      2.77565147
  O     -0.61439044     -2.24208294      6.18397955
  H     -0.73866125     -0.74392075      3.32458620
  H     -1.67556059     -3.68289722      2.69967054
  O     -0.95552776     -5.89074584      5.63097118
  H     -1.90299731     -0.02547390      4.01950974
  H     -3.67127320     -4.43307023      2.27950292
  O     -5.79393130     -0.59617898      4.00438952
  H      1.40063126     -4.57749878      8.00554955
  H     -3.69988089     -2.93580957      2.71134099
  O     -0.03107435     -0.15169026      0.69992809
  H      1.53435379     -4.25401424      6.49626909
  H      3.49276616     -6.26290417      2.70720484
  O      0.00754468     -6.32275488      3.08484284
  H     -5.11307704     -1.90758624      7.20738739
  H      2.74205546     -4.99842586      2.22575541
  O     -3.79500993     -5.32902757      0.67715125
  H     -4.18012942     -2.53700306      6.15345377
  H     -4.62604363     -0.96391159      2.68798342
  O     -1.28417540     -6.34421210      0.55267712
  H     -0.12945417     -2.90206295      6.69498517
  H     -3.09072714     -0.85931577      2.42113551
  O      2.44487295     -3.88520948      5.06834118
  H     -0.07378545     -2.05093080      5.40539401
  H      1.78414487     -3.85607690      0.51659618
  O     -0.71975445     -3.71521288      2.57308432
  H     -0.32036171     -5.49292981      6.23910958
  H      2.62646702     -2.78873023      1.23696294
  O     -3.45558845     -3.82732626      2.99976385
  H     -1.75118351     -5.35190907      5.70447531
  H      0.29665440     -2.56287912      3.32858548
  O      2.76571247     -5.68348061      2.91887592
  H     -6.27324829      0.18871515      4.26021480
  H      1.41981738     -1.48890748      3.15200097
  O     -3.91135153     -1.26592160      2.10989157
  H     -5.51642783     -1.02192593      4.82914076
  H     -0.26201900     -3.76769823      0.80988124
  O      2.57608582     -3.73451640      1.05901387
  H     -0.47787948     -0.64359762     -0.00043821
  H     -0.31923112     -3.22224758     -0.63635215
  O      0.80541306     -1.87295376      3.79016674
  H     -0.67585780     -0.00427644      1.40157782
  H     -2.14330617     -3.23664317      5.78644190
  O      0.04904331     -3.92963766     -0.09466124
  H     -0.31049538     -6.29408667      4.00067054
  H     -3.14997192     -3.84252864      4.74806930
  O     -2.95137889     -3.76181140      5.69407777
  H      0.96909703     -6.23842126      3.09203924
  H     -3.67946314     -3.54306315     -0.05856931
  O     -3.55850474     -2.62002991     -0.30843301
  H     -2.91730273     -5.74482346      0.60700987
  H     -3.78506416     -2.08899037      0.46824493
          69
 Energy    -249.70504136926198     
  O     13.29384721      3.36919303    -11.86121615
  H     13.28805701      2.41612356    -11.89398541
  H     15.47581183     10.53089401    -14.44191215
  O     17.16881732     10.12770391    -15.14081496
  H     14.17057457      3.65494828    -12.17003487
  H     16.29045874      9.18419477     -9.61265532
  O     18.63414343      8.00694004    -11.86930981
  H     17.38813665      9.19086193    -15.00427563
  H     15.89616425      8.47604973    -10.93125699
  O     15.63854047     10.74974239     -8.91221298
  H     17.54972629     10.37694069    -15.97951049
  H     14.93207846      7.77486622    -12.95352772
  O     12.06863669      9.50661631    -14.07707559
  H     17.93636972      8.24617892    -11.23984424
  H     14.71455899      9.29129974    -12.75130869
  O     18.22378014      4.71910315    -13.63367128
  H     18.97996262      7.16107855    -11.56431704
  H     11.98533207      6.21791960    -12.10962970
  O     12.44550689      6.82868020    -15.08703589
  H     14.80257238     10.90371257     -9.38894800
  H     12.19228937      4.74611583    -12.52703659
  O     16.38833717      5.67557935    -10.09056645
  H     15.50239823     11.04817044     -8.01710845
  H     18.10588230      5.36592647    -10.55717471
  O     13.43004270     11.28712085    -10.39878052
  H     12.92099746      9.95066970    -14.18528219
  H     19.56037821      4.91055828    -10.30233806
  O     16.86925548     12.31207706    -11.01297251
  H     12.16908280      8.63098134    -14.46732233
  H     15.17343898      5.76790105    -13.73249338
  O     14.66263979     12.92764198    -12.39610311
  H     18.23654453      5.56715833    -14.09144292
  H     14.22386865      6.61438372    -14.65444859
  O     14.63139304     10.64753943    -13.98926241
  H     18.64567392      4.87064634    -12.77744239
  H     18.08105854     10.64873656    -13.50232664
  O     16.50833255      8.43493395    -10.17818829
  H     11.94340002      6.50583795    -15.83035443
  H     18.72550933      9.85262613    -12.35752296
  O     14.81139233      8.45539475    -12.27842438
  H     12.13429306      6.34321721    -14.30012290
  H     16.79638126      7.17079390    -14.45440264
  O     11.79268097      5.57760661    -12.80842282
  H     16.44291121      6.63964249    -10.02201116
  H     17.98532785      7.67412446    -13.56162674
  O     18.99813132      5.33912419    -10.94268104
  H     15.50600392      5.43176280     -9.77314041
  H     10.32200513     10.10913390    -11.49911039
  O     15.10632471      6.57232599    -14.26547321
  H     12.66410549     10.80935730    -10.73668695
  H     11.48427388      9.72221699    -12.44353838
  O     18.47615902     10.74461831    -12.62841113
  H     13.70732282     11.89628298    -11.09416128
  H     16.55856257      4.38352967    -13.01260311
  O     17.70551859      7.50660364    -14.47433186
  H     16.62074012     11.79368879    -10.24010630
  H     15.90009537      4.91297454    -11.71427163
  O     11.23406189      9.83170117    -11.50828961
  H     17.49689506     11.78121910    -11.52610763
  H     13.46114130      4.47923290    -10.24095053
  O     15.71074953      4.46809640    -12.55236356
  H     15.49641627     12.77747447    -11.91122938
  H     13.29265818      5.97639844     -9.91630662
  O     13.74475910      5.17021076     -9.63150493
  H     14.58498325     13.86751742    -12.53120435
  H     11.99403737      8.19407807    -10.90613873
  O     12.61433578      7.45627646    -10.88459542
  H     14.65851256     11.49100608    -13.51755044
  H     13.40600524      7.78859841    -11.33252893
          69
 Energy    -249.70494101275071     
  O     10.57760211     10.15158169    -12.04075938
  H     10.21122643      9.78296501    -12.85497499
  H     15.67644932      8.16172362    -17.77627923
  O     13.87422089      7.46103134    -15.27451845
  H     11.32727673     10.69636369    -12.30997529
  H     18.79785034      6.59959480    -17.11364085
  O     17.09660004      9.00977991    -10.61759352
  H     13.64631895      6.81987996    -14.58986718
  H     17.36630607      7.10905239    -16.81525120
  O     18.10743809      9.99303854    -16.72531765
  H     14.57759819      8.00542381    -14.88379392
  H     15.42149253     13.54091004    -14.29522184
  O     12.24434799      9.68096296    -15.36723197
  H     16.25151895      9.42966747    -10.81931900
  H     16.02926432     12.12327608    -14.26676393
  O     16.10285072      6.44224862    -10.23064110
  H     16.87696204      8.09393969    -10.39152858
  H     16.51691848      8.12226496    -13.85323873
  O     13.54271884      5.84796670    -13.01439232
  H     17.36600278     10.05177299    -17.34233736
  H     16.31311607      9.61141932    -14.21461790
  O     14.56820142      9.65864611    -11.68881531
  H     18.30560105      9.05257021    -16.64855769
  H     10.09001801      7.96428568     -9.78578466
  O     15.77511863      9.95900578    -18.34063323
  H     11.33965402      9.41438281    -15.16529326
  H     10.67942934      8.76964901    -10.96850914
  O     16.29136276      5.05028825    -12.77460675
  H     12.76892268      8.86675985    -15.38778993
  H     11.63702751      6.16353081    -13.10447414
  O     17.46527087     11.04869825    -14.30833523
  H     16.20440308      5.87811869    -11.00492625
  H     10.70046664      6.88535203    -12.11377857
  O     15.74384671      7.28750402    -17.37041197
  H     15.16199784      6.66479938    -10.20001308
  H     18.30976615      9.27559012    -11.77994906
  O     18.28821032      7.11804264    -16.49672434
  H     14.41773046      5.44281244    -13.00940954
  H     19.79254905      9.57306286    -12.11570507
  O     15.19378841     12.61467488    -14.33246865
  H     13.49948183      6.37125388    -12.19953635
  H     18.18327218      7.02373137    -14.69225151
  O     15.84303405      8.80029540    -13.98742761
  H     13.93936183     10.29617410    -12.04634413
  H     18.45952744      7.74617377    -13.32911788
  O     10.72699431      7.92055408    -10.49355353
  H     15.01801140      9.28517395    -12.46175368
  H     14.48017419     11.80729011    -15.92754565
  O     10.76418461      6.56577015    -13.02330241
  H     15.62245584     10.27535872    -19.22689511
  H     13.39246928     10.77632259    -16.30774293
  O     18.94703654      9.38154696    -12.51223427
  H     15.16881326     10.45271084    -17.75949555
  H     12.53826422      7.50598342    -10.45566671
  O     17.98465016      7.01443907    -13.74446424
  H     16.93226727      5.69417964    -13.11724522
  H     13.82323431      8.20544088    -10.96811167
  O     14.14105232     11.27833060    -16.65792425
  H     16.70060945      4.19153193    -12.85478622
  H     12.68643700     10.74053488    -13.93447972
  O     13.46599911      7.35485846    -10.66965936
  H     18.03512410     10.61358798    -13.66250095
  H     13.63432937     11.87773593    -13.49506327
  O     12.91191498     11.31699540    -13.18854272
  H     17.76618236     10.77524362    -15.19083827
  H      8.95758409      8.50235940    -14.77350808
  O      9.80973361      8.70718100    -14.39872394
  H     15.01356381      7.22403363    -16.74133978
  H     10.13662956      7.89074056    -13.97909401
          69
 Energy    -249.70492596459593     
  O     11.32811038      9.25583618    -12.40874991
  H     11.60576451     10.03055799    -11.90832551
  H     15.86103761      8.57444734    -16.68022956
  O     16.67267529      8.44401132    -15.11189870
  H     11.52097616      9.46222132    -13.33453230
  H     18.33972274     10.99394222    -15.03652005
  O     17.34300784      9.55670311    -10.56289811
  H     16.55397496      7.72619769    -14.47230822
  H     18.50199246     10.84106883    -13.51801001
  O     16.08940441     12.64505618    -13.58860319
  H     17.41162390      8.99810033    -14.83040893
  H     14.29661757     13.10646334    -13.30918867
  O     12.81841910      7.75986842    -16.55938757
  H     16.40415225      9.75635049    -10.69186237
  H     13.03247820     12.95044468    -14.16873522
  O     17.12263318      6.92977991     -9.78119635
  H     17.36895055      8.68852226    -10.13475793
  H     15.23736698     10.99046916    -13.83023075
  O     16.11096302      6.48235003    -13.25820648
  H     16.74605071     12.44856990    -12.90845494
  H     15.45440178      9.51666315    -14.29391341
  O     14.65913427      9.92449626    -11.10758614
  H     16.56864648     12.70063372    -14.42535674
  H     11.75074203      7.58400699    -12.16864212
  O     17.50121360     12.36857964    -16.02252483
  H     13.05928259      7.09557541    -15.89441792
  H     11.26774098      6.15270054    -11.83807374
  O     18.52053142      5.72952027    -12.02699209
  H     13.64069898      8.02997424    -16.98309657
  H     19.19540694      8.91896685    -13.18772127
  O     15.17222312     11.56107253    -17.06565514
  H     16.19780493      6.85592283    -10.05557656
  H     18.55134741      8.74489302    -11.80213735
  O     15.35636347      8.75590681    -17.49142305
  H     17.62207799      6.38188918    -10.39777645
  H     12.99175336      6.23038412    -13.69820404
  O     18.59369196     10.36105492    -14.35218232
  H     16.91270057      6.06925247    -12.91556542
  H     14.45495193      6.08420807    -14.15386225
  O     13.33136533     13.09322162    -13.26288858
  H     15.58901697      6.74201178    -12.48556694
  H     18.84677801     12.25337469    -11.42200462
  O     14.85412004     10.10404396    -13.81907392
  H     13.91759575     10.50578225    -10.90635701
  H     17.91618351     11.02401668    -11.32890238
  O     12.04059205      6.65915853    -12.07315903
  H     14.71953606      9.90992982    -12.07599764
  H     11.89339858     12.64610739    -16.47160322
  O     19.16590443      8.33284873    -12.42450986
  H     16.67629197     12.08065894    -16.45608604
  H     12.40557755     11.45085794    -15.63297264
  O     13.54597331      6.09071271    -14.47547001
  H     17.90539930     13.01028622    -16.60000270
  H     14.53777103      8.10885002    -10.94902171
  O     18.17661888     11.76865643    -11.89757002
  H     18.86289656      6.62325732    -12.21103310
  H     13.69064001      6.85835373    -11.27070742
  O     12.63505793     12.34128935    -15.95494775
  H     19.26067870      5.13188495    -12.08385539
  H     11.95745570     12.19848118    -10.55077148
  O     14.57503841      7.14390533    -11.00878368
  H     14.30883357     11.83870248    -16.73855370
  H     12.70678021     12.16581380    -11.90124095
  O     12.42018270     11.61797090    -11.14915934
  H     15.11509713     10.62033950    -17.27536199
  H     12.37307174      9.11674009    -15.54179512
  O     12.32836117      9.86615320    -14.92882819
  H     15.81830375      8.32081652    -18.20421988
  H     13.19479034      9.92782471    -14.49844530
          69
 Ord_Energy   -249.704346    
 O    1.40727401       8.83573246       3.73481274    
 H    1.61720192       9.15851688       2.84960604    
 H    2.21849084       8.43116474       4.06533337    
 O    2.78982449       2.12367535       3.90480757    
 H    2.92932844       3.07869005       3.93664551    
 H    2.12586451       1.93077540       4.57837963    
 O    3.89756346       7.50651264       4.32263947    
 H    4.10050774       7.57454395       3.37182450    
 H    4.65786791       7.83829832       4.79261112    
 O    2.03554606      0.813401401       1.64157629    
 H    2.66268301      0.129933774       1.42113411    
 H    2.38827252       1.27704477       2.42298579    
 O    1.05252421       3.14876747      0.367319554    
 H   0.427304238       3.33710814       1.08470285    
 H    1.44657624       2.29884839      0.595063508    
 O  -0.876608849       5.07373381     -0.636312008    
 H  -0.257270277       4.33749342     -0.563134551    
 H   -1.69253409       4.79320574     -0.202042416    
 O  -0.802873194       3.46573806       2.41253281    
 H  -0.858600378       2.51405716       2.57193398    
 H   -1.61660337       3.76683307       1.98873568    
 O    4.15685415       7.61085749       1.61718476    
 H    3.78131080       6.76564264       1.33503270    
 H    3.53973103       8.28293800       1.30067003    
 O   0.394875586       1.91266310       5.44350958    
 H   0.326767534       2.86459446       5.29421711    
 H  -0.382764876       1.67468059       5.96547270    
 O   -4.19723034       4.94244051       4.49725389    
 H   -3.97773767       5.67472649       3.90976191    
 H   -4.44429731       4.20832872       3.92218804    
 O   0.301145315       7.09637260      0.791646421    
 H  -0.100326568       7.04920435       1.66900194    
 H  -0.158093393       6.46808386      0.215041831    
 O   -2.14198995       1.58109701       6.60680151    
 H   -2.21936727       2.55260944       6.55484343    
 H   -2.47415376       1.32155824       7.46148539    
 O   -2.20059586       4.24195194       6.26520538    
 H   -2.94166517       4.52488852       5.70789862    
 H   -1.39932585       4.54940128       5.82796097    
 O   -4.67419100       2.77452588       2.66364574    
 H   -4.12183285       2.11628628       3.12203503    
 H   -5.51903963       2.36049032       2.50830483    
 O    2.48952293       5.37822199       1.16081178    
 H    1.77142489       6.01442480       1.03701246    
 H    2.16895390       4.55029058      0.780777276    
 O   -3.27454901       6.87775946       2.58957028    
 H   -2.37892938       7.04133987       2.92991686    
 H   -3.65419364       7.73050499       2.39278913    
 O  -0.456162363      0.766535401       3.01975369    
 H   0.316040456      0.613625824       2.46248889    
 H  -0.117811128       1.05556560       3.88081765    
 O    2.75506091       4.96998739       3.88907170    
 H    3.20014524       5.76565266       4.20354891    
 H    2.66804218       5.07161617       2.92902899    
 O    1.94056928       9.28374767      0.942168891    
 H    1.32080805       8.55430126      0.767423451    
 H    1.75985682       9.95915699      0.293759257    
 O  -0.686295569       7.11618757       3.43661594    
 H   -1.97862294E-02   7.79293299       3.63248563    
 H  -0.439908504       6.32705021       3.93268704    
 O   -3.04715371       4.46567678       1.13600230    
 H   -3.68655562       3.85953522       1.53422439    
 H   -3.18145061       5.32764482       1.55359554    
 O   0.124215297       4.67896843       4.63777971    
 H  -0.235356688       4.25755739       3.83788157    
 H    1.06802499       4.82761669       4.48133373    
 O   -3.08871579       1.00929523       3.96603560    
 H   -2.86765504       1.15497744       4.89426756    
 H   -2.26676250      0.728514314       3.54424000    
          69
 Energy    -249.70401343948976     
  O     -0.80470072     -3.15856719      0.76592242
  H     -0.17583209     -3.25789006      0.04147964
  H      3.43044346      0.06122912      2.41017242
  O     -2.18584458      0.39150152      1.74376997
  H     -1.55321409     -2.65345220      0.42548195
  H     -1.93848612      1.08813714     -1.71313587
  O      0.11848142     -2.89989438      3.27620123
  H     -1.97768912      0.01735145      2.61391326
  H     -1.11813102     -0.13385300     -2.18351857
  O     -2.97290296     -1.54235764     -0.12683224
  H     -2.57341028     -0.29692977      1.19110516
  H      1.76323295      1.50506686      4.52388710
  O      2.62737203      4.61942640      2.86274635
  H     -0.25534112     -3.04372874      2.38702795
  H      1.27872075      0.34446115      3.64131318
  O      3.38535561      2.34920742      4.48996907
  H      0.19397391     -3.75520649      3.68992736
  H     -2.38983057      2.12844738      1.70756981
  O      5.46983025     -0.72466599      0.17816162
  H     -3.83922316     -1.85620030     -0.37113248
  H     -3.16661699      3.42454479      2.03788479
  O      0.24982914      3.36398608      2.77927129
  H     -2.67827351     -0.94234297     -0.83718209
  H      0.99645397     -2.34400570     -1.65256840
  O      2.44630099      1.31459999     -2.93305682
  H      1.72829775      4.24269054      2.81612269
  H      1.14826763     -3.82625339     -2.07436238
  O      1.23710734      2.67620481     -0.73856465
  H      2.53122496      5.53822791      3.09569632
  H     -0.51250544      0.43978701      0.94373863
  O      1.90055925     -0.97430258      2.38045588
  H      3.85905909      1.79796787      3.85400410
  H      0.63484535      1.26435304      0.26926756
  O      4.18524268      0.65626064      2.30376798
  H      3.24096177      3.19488295      4.04767623
  H      3.32177259      3.64894823      1.46188568
  O     -2.01243543      0.15668916     -1.97030935
  H      6.28044398     -1.22629668      0.15564588
  H      3.71670883      2.15953275      1.35374340
  O      0.96647476      1.03292177      4.23998726
  H      4.73908864     -1.36802979      0.15533912
  H      4.97544555      0.74275360     -0.90092220
  O     -2.35935263      3.09956724      1.64737124
  H      0.36397740      2.53784111      3.26710637
  H      4.36677848      2.14188776     -0.65798976
  O      1.14850446     -3.24556658     -1.31775011
  H     -0.63373519      3.35021737      2.39723860
  H     -1.91389440      3.00543555     -0.21637251
  O      0.39171193      0.39225048      0.60867013
  H      2.62844919      1.68676795     -3.79162633
  H     -0.61164190      2.89357144     -1.02035003
  O      3.52798322      2.94997489      0.82828922
  H      3.27885850      1.34480709     -2.42729195
  H      2.65808029     -2.75797326     -0.25602432
  O      4.61470841      1.51601607     -1.35187153
  H      1.59638069      2.30880872     -1.55576926
  H      2.83567450     -2.00236692      1.07301794
  O     -1.56625733      2.75753113     -1.08096275
  H      1.99416645      2.87926764     -0.17233121
  H      0.59238730     -0.33292179     -1.04569665
  O      3.32252337     -2.37693303      0.32881869
  H      1.36676512     -0.50871416      1.71358368
  H      1.33459081     -0.04319007     -2.38119332
  O      0.71878858     -0.65121526     -1.95308952
  H      1.35896210     -1.67919622      2.75990429
  H     -0.62618890      0.02609446      4.38606099
  O     -1.33244321     -0.58483560      4.13386153
  H      4.77917210      0.22185195      1.67961632
  H     -0.90675643     -1.43635165      3.97554566
          69
 Energy    -249.70391542064942     
  O     17.49209583      8.55672535    -13.00682064
  H     16.78263679      8.87675926    -12.42665286
  H     13.28299351     10.68675027    -13.30657702
  O     11.87681532      7.91564041     -9.33509733
  H     17.13926183      7.78792323    -13.47301723
  H     12.08771503     10.80524824    -11.36449163
  O     18.62505801     10.92150478    -13.72022981
  H     11.52109103      7.89992589    -10.24305932
  H     11.08326425     11.46167321    -12.34185240
  O     11.10823201      8.02476642    -11.92431114
  H     11.21832994      7.52249162     -8.76932548
  H     17.25307473      4.08572550    -11.62440560
  O     16.41395151      6.23019896    -14.02829770
  H     18.25555202     10.03695837    -13.55241593
  H     16.59861404      4.52778743    -10.30781006
  O     18.85889295      7.11924627    -11.08952013
  H     19.12941632     10.86302760    -14.52722639
  H     14.67998349      7.91901868    -10.76964338
  O     19.78912122      9.16148635     -9.41607762
  H     11.49556206      7.44747216    -12.59283349
  H     13.53939644      7.34384197     -9.87389796
  O     16.79228257      6.22046248     -9.30447172
  H     11.28235825      8.93459111    -12.19616685
  H     19.45170637      4.51383020    -12.96128054
  O     12.35368780      6.24512368    -13.78143543
  H     17.18478559      5.70010426    -13.79042455
  H     18.82003948      5.64555575    -12.12026869
  O     16.24601311     12.37853810    -13.07045507
  H     15.69876073      5.91179111    -13.45860493
  H     16.82011120     13.83756180    -10.32307203
  O     14.28016702      8.07346009    -14.83705828
  H     19.30356140      7.72259275    -10.48152579
  H     16.56114964     12.76099178    -11.40429649
  O     14.17342817     10.57220303    -13.66361293
  H     18.42776130      7.67723330    -11.75396232
  H     14.91386002      9.80465117    -12.21325348
  O     11.75518467     10.78760973    -12.28094813
  H     19.59697430      9.94723662     -9.95950927
  H     15.42206397      9.91414235    -10.73195212
  O     16.49140408      3.92483976    -11.05508463
  H     20.57366530      9.35933110     -8.91190376
  H     18.41864896     11.87532400    -10.68559654
  O     14.36278070      7.11992218    -10.32236238
  H     17.45661093      6.53452171     -9.93274752
  H     19.09599713     11.21716884    -11.90027529
  O     18.61922750      4.92358180    -12.73965326
  H     15.92727919      6.51831761     -9.62513180
  H     16.01993080     10.21676720     -8.76454988
  O     16.83528384     12.89694092    -10.47875804
  H     11.88172994      5.58006824    -14.27698769
  H     15.92588349     11.60202632     -9.50138230
  O     15.39010870      9.34320861    -11.51044449
  H     13.03832255      5.77948062    -13.27107268
  H     14.31528885      5.91338711    -11.60516551
  O     19.14653427     11.29516720    -10.94002466
  H     17.04089304     11.95736472    -13.41982580
  H     15.03400299      4.59205290    -11.93078302
  O     15.41568348     10.84146773     -9.19532581
  H     15.49999546     11.84119065    -13.36856569
  H     18.07475294      9.04277843     -8.56218193
  O     14.41590759      5.24021164    -12.29621097
  H     13.54388095      7.50727466    -14.57313396
  H     16.97436517      7.98646215     -8.40579533
  O     17.16238683      8.92254436     -8.27301378
  H     15.06019517      7.51034260    -14.79268857
  H     13.57560978     10.77005176     -9.44407728
  O     12.66337644     10.63719283     -9.73393216
  H     14.19181491      9.74932571    -14.17580428
  H     12.40449633      9.75833989     -9.43072590
          69
 Ord_Energy   -249.703827    
 O    9.16511345       3.84776068      -2.91750288    
 H    8.51064205       3.92391658      -3.63620305    
 H    10.0183716       3.74753380      -3.33151412    
 O    6.38617945     -0.771579146      -1.22912061    
 H    5.85306549     -0.660404623     -0.431364357    
 H    6.95786476       3.49089992E-03  -1.29865491    
 O    6.48686695       3.05279446      0.450891107    
 H    5.72373104       2.64922333      0.879209101    
 H    6.12629652       3.78637719      -7.26691708E-02
 O    8.01443481       5.18370104       1.40589571    
 H    8.22394657       5.53373909      0.531458974    
 H    7.61534929       4.31829214       1.23828328    
 O    4.06948471       3.72765660      -3.18160844    
 H    4.61740446       2.96752691      -3.42744231    
 H    4.23996162       4.42391872      -3.82827163    
 O    2.79264021      0.127662897      -1.35989439    
 H    3.29660058     -0.184058204      -2.12110281    
 H    3.26987720     -0.200541064     -0.588166356    
 O    5.82066059       1.69335175      -3.77827191    
 H    6.43870401       1.68479669      -3.03210139    
 H    5.39129543      0.829862356      -3.79040861    
 O    3.54759860       7.00227690     -0.890849173    
 H    2.87438560       6.47492647     -0.447448850    
 H    3.99818158       7.55415678     -0.230638683    
 O    4.67230225     -0.822722793      -3.32630372    
 H    4.66976404      -1.65803194      -3.78560448    
 H    5.31379032     -0.902921319      -2.59590578    
 O    3.75958896       4.64545107       2.49773026    
 H    4.47450161       5.29110622       2.54487967    
 H    3.11893034       4.97785044       1.85751998    
 O    4.00472450       2.18801785       1.35619235    
 H    3.92960930       2.97424316       1.91767013    
 H    3.54324508       2.39974213      0.532726228    
 O    7.64818859       1.75412893      -1.66338181    
 H    7.28087997       2.17222571     -0.869600117    
 H    8.29053307       2.37443209      -2.02612567    
 O    5.01461506       5.76534700      -4.87667084    
 H    4.66169786       6.10437489      -5.69529247    
 H    5.06287766       6.51959991      -4.26278210    
 O    7.22633171       8.53258801      -1.34439099    
 H    7.64607477       7.65623379      -1.36515439    
 H    7.92344952       9.17365360      -1.45937300    
 O    1.85440457       5.13280916      0.371123731    
 H    2.02844524       4.31363678     -0.121787339    
 H   0.916686654       5.14881277      0.548056781    
 O    4.50335789     -0.450652808      0.901058197    
 H    4.35210228      -1.00172067       1.66495168    
 H    4.33755970      0.465318680       1.18210042    
 O    5.98565912       6.46513414       2.68632698    
 H    6.74387693       6.02322865       2.26668715    
 H    6.25677252       6.68732262       3.57395029    
 O    2.58019161       2.84338284      -1.00505745    
 H    3.02477932       3.20308256      -1.78511333    
 H    2.49580455       1.89043260      -1.15909266    
 O    5.48880291       5.01870632      -1.18284643    
 H    4.87717438       5.74011517     -0.989207566    
 H    5.08558846       4.51808834      -1.90338337    
 O    8.08153057       5.93244076      -1.35308802    
 H    7.15844822       5.63159227      -1.35034645    
 H    8.57412720       5.28497362      -1.87019205    
 O    5.03980970       7.80622625      -3.10331345    
 H    4.37807274       7.59931993      -2.42748857    
 H    5.79649925       8.15744114      -2.62141371    
 O    7.21247482       3.93198109      -4.78304291    
 H    6.73345947       3.10495639      -4.63664913    
 H    6.54107094       4.62042809      -4.85954666    
 O    5.22263479       8.37272549      0.739316702    
 H    5.96284199       8.50387478      0.134186372    
 H    5.52826405       7.78096914       1.43907583    
          69
 Ord_Energy   -249.703506    
 O   -1.65470827      0.545187712      -3.69264293    
 H  -0.912283838       1.16249418      -3.73450589    
 H   -1.61888444       2.08566599E-02  -4.50656414    
 O    3.43672347       1.20030880       7.63027072E-02
 H    2.59431815      0.805127621      0.329947323    
 H    3.26519442       2.14567876      -1.44262901E-02
 O   -1.47939408      -1.73347509      -2.10843158    
 H   -1.74459541      -1.47107577      -1.21882105    
 H   -1.52655756     -0.934928477      -2.65729594    
 O    4.32088184      -1.06220460      -6.23340130    
 H    3.35643005      -1.17802227      -6.19144297    
 H    4.61218214      -1.48430777      -7.03804111    
 O   0.614091396       2.17664313      -3.55841994    
 H   0.480966032       2.47622275      -2.64941239    
 H    1.18821681       1.39447534      -3.50142288    
 O    1.19667172      -3.87083220      -4.86522818    
 H    1.74100864      -4.00342131      -4.07929182    
 H   0.274398744      -3.91738415      -4.58342791    
 O   0.284635067       2.66236091     -0.845301867    
 H    1.04461145       3.22234273     -0.642417192    
 H   0.482734650       1.79147446     -0.470795721    
 O    2.73302531       3.94703865     -0.420293391    
 H    3.14694262       4.01424360      -1.29950237    
 H    3.01663899       4.70990849       7.61175081E-02
 O    3.89794230       4.03062916      -2.85617781    
 H    4.72192097       3.53959346      -2.96629047    
 H    3.40596724       3.90572715      -3.67575192    
 O   -1.54313946      -3.59897828      -4.13725662    
 H   -2.31720042      -4.15636683      -4.11542654    
 H   -1.60028911      -3.01195574      -3.36572766    
 O   -1.20724058      -1.18981910      -5.76646090    
 H   -1.38603747      -2.06479168      -5.40401888    
 H  -0.253943861      -1.16281700      -5.92229939    
 O    1.24727094      -1.87088966      -1.56085122    
 H   0.319577456      -1.99208009      -1.80500197    
 H    1.75437593      -2.64498925      -1.83497798    
 O    2.42824292       3.33624291      -5.23438025    
 H    1.70348668       2.96860027      -4.70129919    
 H    2.02563834       3.90242696      -5.88832569    
 O    2.18212628      -8.43849033E-03  -3.35978484    
 H    1.82099056     -0.654111743      -2.73711228    
 H    3.08642483      0.166430816      -3.06880593    
 O    6.11369133       2.34632969      -3.39663672    
 H    5.70503521       2.10676527      -4.24988174    
 H    7.03929234       2.49899149      -3.56358123    
 O   -2.35280991       1.69628334      -1.18611097    
 H   -2.30889750       1.38275468      -2.09925294    
 H   -1.55166221       2.21902061      -1.04506230    
 O    4.74753952       1.68444693      -5.61052990    
 H    4.57597256      0.768782556      -5.86086559    
 H    3.90275955       2.15083528      -5.59801769    
 O    4.75409937      -2.18091989      -3.57541561    
 H    4.69511652      -1.85566258      -4.48057461    
 H    4.84517384      -1.39650357      -3.01568985    
 O   -2.02669907     -0.488900542      0.375135511    
 H   -2.67500901     -0.557965994       1.07038331    
 H   -2.23485017      0.321619421     -0.125670210    
 O    2.89486575      -3.87840796      -2.58248544    
 H    3.33926439      -4.61168242      -2.16586185    
 H    3.59021711      -3.29970431      -2.94616318    
 O   0.777405977      0.126295924      0.286852777    
 H    1.04976499     -0.592621922     -0.302785158    
 H  -0.132552162      -7.91472495E-02  0.530790389    
 O    1.65036404      -1.32692385      -5.74937820    
 H    1.80720377     -0.836026311      -4.92910814    
 H    1.52143383      -2.25804734      -5.50454712    
 O    4.68752241      0.242853403      -2.18239355    
 H    4.31818390      0.533853710      -1.33497036    
 H    5.25249863      0.950504005      -2.51406479    
          69
 Energy    -249.70326913918959     
  O     10.97273526     10.89874453    -12.19041126
  H     11.81147535     11.21017604    -12.55409371
  H     20.34529674      7.23020041    -15.15006277
  O     13.77772860      7.49965757    -15.56436748
  H     10.47568348     10.53120060    -12.93213994
  H     15.64939676     13.36623504    -15.42783730
  O     17.72932163      9.91050700    -10.82453615
  H     14.28590694      7.56580153    -16.38205533
  H     16.05377985     11.89958740    -15.13722976
  O     17.99500205      8.67671165    -16.76368176
  H     13.19513278      8.27409198    -15.53265631
  H     15.14613595      8.08279495    -14.52688647
  O     12.28838455      9.81147334    -15.37482802
  H     16.80081509      9.95459735    -11.10543146
  H     16.43059696      7.68120751    -13.73443952
  O     15.35664906      6.16019927     -9.64840836
  H     17.85623249     10.60869437    -10.18643321
  H     10.36313045      9.11654469     -9.64059906
  O     13.02727066      6.33178139    -13.13484498
  H     17.81419626      9.50144120    -16.29345102
  H     10.95667327      9.66733481    -10.95974783
  O     15.13162244      9.77544000    -11.76033360
  H     17.15147261      8.41696769    -17.15144690
  H     10.50141853      7.68994757    -11.84041865
  O     15.33976275      8.25933971    -17.80329489
  H     12.69768812     10.32271704    -14.66198040
  H     11.24593924      6.82586912    -12.88276988
  O     15.23661797      4.95008114    -12.29464599
  H     11.36531465      9.67446994    -15.13054070
  H     19.46089912      9.12474989    -13.61690555
  O     17.22248346     10.65169430    -14.89100241
  H     14.65690313      6.75552693     -9.96383959
  H     18.87064206      9.88668631    -12.39879334
  O     19.51054090      7.52737537    -14.79712958
  H     15.03520347      5.75932754     -8.84457065
  H     17.73744426      6.56640840    -12.30376995
  O     15.29446453     12.49424307    -15.27669789
  H     13.73565966      5.71873357    -12.88523481
  H     18.26882825      6.60694854    -13.77026426
  O     15.86791916      8.42617879    -13.98747768
  H     13.23730209      6.64435173    -14.02410523
  H     17.06385431      6.78510515    -10.17250659
  O     10.94001329      8.89477476    -10.36610640
  H     14.54098925      9.16802134    -11.29609461
  H     17.87769394      8.04094636    -10.56839597
  O     10.41288426      7.28647763    -12.71197137
  H     15.41337532      9.30341927    -12.56169450
  H     14.61190295     11.36931094    -16.70587147
  O     19.30770613     10.00444974    -13.25102511
  H     14.98499006      9.15625501    -17.66487803
  H     13.41037638     10.41924886    -16.73363888
  O     17.51467196      6.35336348    -13.22464932
  H     15.20926192      8.05422885    -18.72597102
  H     13.31307871      7.32538838    -11.63213241
  O     17.87164840      7.07703661    -10.61442245
  H     15.33692917      5.16907935    -11.36132284
  H     12.59904012      8.16118171    -10.52791770
  O     14.20458761     10.66824155    -17.22669076
  H     16.03471184      5.28561507    -12.72495455
  H     14.07468181     11.87789783    -13.98109930
  O     13.45004478      7.79015072    -10.79244941
  H     18.02018517     10.61902235    -14.34384961
  H     14.07870849     10.90326046    -12.77076496
  O     13.50272682     11.37085888    -13.39112522
  H     16.70781843      9.86697669    -14.64555366
  H      8.86665496      9.29475169    -14.63281855
  O      9.75652803      9.37676607    -14.30189742
  H     18.99821199      7.87363618    -15.54882018
  H      9.94306556      8.57150950    -13.78543463
          69
 Energy    -249.70315324348724     
  O     12.49993858      8.87208363     -9.74843838
  H     13.23011948      9.51979625     -9.71236981
  H     14.83014374     10.52627952    -15.05406045
  O     15.55615442      5.06585768    -12.73105577
  H     11.84538411      9.15763956     -9.11815749
  H     15.91614100      8.00667035    -13.38671454
  O     14.70851502     11.97405526    -12.21389341
  H     15.51561994      5.26283659    -13.67568929
  H     15.44175647      7.14144819    -12.19783741
  O     17.26859806     11.78575591    -13.55688017
  H     16.47583472      5.11084165    -12.44067090
  H     13.49426392      7.26528557     -9.79501533
  O     11.56173327      7.34863852    -16.41032496
  H     15.56502579     12.06667396    -12.64524999
  H     13.59071006      5.86088509    -10.43499877
  O     16.76634587      6.93490618     -9.50813317
  H     14.09422566     11.72460422    -12.91511257
  H     18.84379926      4.94179909    -11.51140110
  O     12.40785885      6.41245858    -13.89667416
  H     18.01234930     12.38247297    -13.54833289
  H     18.42972696      6.26281577    -12.20103894
  O     13.18338109     10.77111321    -14.32531969
  H     17.45581708     11.09243413    -12.90056206
  H     13.97943108      4.66983379    -12.10577069
  O     14.27403182      9.42607923    -17.68689544
  H     11.71014065      6.95790808    -15.53877414
  H     12.88174078      3.68946170    -11.62479627
  O     16.76826821      7.90262633    -14.99501704
  H     12.27429465      7.02251283    -16.97321567
  H     16.77876665      9.21169719    -11.93762021
  O     14.80167213      5.97363595    -15.31703216
  H     17.23492878      6.41321821    -10.16698788
  H     17.58612115      9.82509168    -10.78090098
  O     15.70369949     10.41326289    -15.45799087
  H     15.82411610      6.72108157     -9.59095182
  H     18.61424428      8.43767912    -12.61208118
  O     15.49365228      8.04775333    -12.51702255
  H     12.44577758      5.72640029    -13.22006623
  H     18.27796117      7.70569484    -13.92017538
  O     14.06953917      6.49629771     -9.89259495
  H     12.47273738      7.25728276    -13.42679225
  H     17.01696645      8.60245525     -9.14326884
  O     18.09793326      5.51236790    -11.67678629
  H     12.96640908     10.07512619    -13.68692536
  H     17.52232898      9.68173479     -8.15468780
  O     13.05194919      4.60918232    -11.81113729
  H     12.59799218     10.64325531    -15.08135314
  H     14.14882803      7.69255839    -17.85505570
  O     17.55291639      9.76216440    -11.74316802
  H     14.89004374      9.82800730    -17.06135676
  H     14.10346513      6.44621440    -18.77104903
  O     18.84984773      7.66409452    -13.14048463
  H     13.39994757      9.75223945    -17.43759103
  H     14.63289487     11.10980194    -10.60565246
  O     17.14118575      9.56219837     -9.01962745
  H     16.12118580      7.22943911    -15.24562873
  H     15.42976708     10.31771466     -9.52325113
  O     13.97345889      6.73412334    -17.87172139
  H     16.42556125      8.76494334    -15.27023539
  H     11.56110327      9.09551993    -16.51182729
  O     14.54623554     10.58543802     -9.79598850
  H     14.58163596      6.08876623    -16.25050879
  H     10.90470189     10.40164141    -17.01962204
  O     11.69278058     10.05569895    -16.60958177
  H     13.98484147      6.15291935    -14.82879025
  H     13.80301065      8.58193881    -12.47041761
  O     12.84668429      8.74604939    -12.50436141
  H     16.31010716     10.95792641    -14.94162398
  H     12.55388515      8.82704500    -11.58896731
          69
 Energy    -249.70300993873434     
  O     14.62250740     12.12220110    -16.47781701
  H     14.16815651     12.94375336    -16.64287914
  H     16.99075440      9.96949907    -18.14368963
  O     15.86863333      6.14516827    -13.11289351
  H     14.16960595     11.69712010    -15.72711154
  H     16.85303763      8.99041722    -14.31014267
  O     19.15933769      8.53930057    -12.30891086
  H     16.60842823      6.00856277    -12.50543759
  H     17.32690429      7.99586413    -15.40787296
  O     16.55032443      5.77914611    -17.53784836
  H     16.15000460      6.84930020    -13.71794684
  H     13.92437485     10.82522730    -13.57750567
  O     15.85075393     10.44874557     -9.47751864
  H     19.67228469      8.22094894    -13.06091324
  H     13.04500291      9.99623858    -14.53923731
  O     13.85889945      7.76345465    -12.23133077
  H     18.59093202      9.24656780    -12.65046937
  H     16.23727733      6.91558354     -9.16802710
  O     17.41803189     10.40033476    -13.35532084
  H     16.53732618      5.15084317    -18.25446891
  H     17.06569737      6.06622172     -8.17467831
  O     14.75852253      7.78770471     -9.52714674
  H     16.66563785      5.26539239    -16.71534305
  H     13.19864267      7.89799665    -15.43781828
  O     18.53677617      7.64371940    -16.74430399
  H     15.90018658     11.10572393     -8.78875186
  H     11.70117923      7.84937220    -15.06393160
  O     16.91344710      4.54032029    -15.19863566
  H     16.73711585     10.05117598     -9.55192637
  H     21.26138487      7.57541500    -14.99830062
  O     19.32258230      4.87482430    -13.85328349
  H     13.27609783      7.84970804    -12.99355147
  H     19.78715121      7.51360105    -15.45110789
  O     17.95891876     10.02545874    -18.04442003
  H     14.52917250      7.10834954    -12.48276441
  H     18.48866565      6.90932319    -11.77722386
  O     16.60442181      8.19791882    -14.80066626
  H     17.44076345     10.97514548    -14.13520259
  H     17.85480392      6.08250370    -10.62571650
  O     13.44322764     10.86517349    -14.41489800
  H     16.56451246     10.50479385    -12.91331628
  H     18.67916551      8.99019776    -10.50701397
  O     17.12458786      6.55548936     -8.99061485
  H     14.30731353      7.71575267    -10.37754781
  H     17.98174406      8.23897805     -9.35254462
  O     12.55237058      8.15562472    -14.75996107
  H     14.98978028      8.71932307     -9.42368539
  H     14.95279322     10.68866131    -17.62642706
  O     20.37086448      7.45017634    -14.67780486
  H     18.41075021      8.46402003    -17.24263394
  H     14.91562605      9.14236039    -17.65949994
  O     18.15267608      6.03175718    -11.54197558
  H     17.94813234      6.97662936    -17.12175980
  H     14.60284859      9.43724135    -12.13736839
  O     18.21245830      9.12046875     -9.67242373
  H     17.80852325      4.53268851    -14.82902850
  H     15.18961830     10.51612892    -11.19055475
  O     15.26117836      9.91679870    -18.11999106
  H     16.36277859      4.91112168    -14.49870116
  H     17.68154998     11.19714495    -16.48562900
  O     14.93915599     10.34501173    -12.10718652
  H     19.78748099      5.66582651    -14.14792757
  H     16.44113109     11.95122249    -15.98056674
  O     17.34941691     11.71933745    -15.74715672
  H     18.98453825      5.09567211    -12.97464278
  H     15.06438922      6.92346667    -17.00138623
  O     14.60342217      7.63564916    -16.54338113
  H     18.29430775     10.43448843    -18.83791816
  H     15.23876752      7.95010971    -15.87848092
          69
 Energy    -249.70281825017190     
  O     -0.33797974     -0.18546049      5.54995606
  H     -1.01146472      0.49900794      5.62493729
  H     -0.59301145      2.19994512      1.86267280
  O      2.54097059      0.03441530     -1.73944946
  H     -0.78328286     -1.01909034      5.74830196
  H     -3.14325264     -1.45218130      5.35291099
  O     -1.86437450     -2.60892587      5.95602190
  H      1.60949131      0.26202567     -1.61185058
  H     -3.43346760      0.07075792      5.34226321
  O     -0.06300754      0.50636551     -0.79018314
  H      2.59754022     -0.91133555     -1.55420978
  H      1.11363705      0.70794095      2.27794587
  O      2.46191557     -2.64352228     -0.68935247
  H     -1.79255616     -3.21586831      6.68723860
  H      1.93065367      1.56592318      1.27720582
  O      3.31275555     -1.31269690      1.53587492
  H     -1.94796196     -3.14941573      5.14904244
  H     -2.98452282      1.38305956     -0.57197559
  O     -3.78449487      2.58708862      3.50120163
  H      0.29696835      0.77420276      0.06753960
  H     -2.84205999      2.61347875     -1.50517429
  O     -4.39275580     -3.63302451      1.83283532
  H     -0.81789887      1.07868621     -0.96637996
  H     -2.79057470     -0.43777087      3.28805158
  O      3.58916667      1.33385491      0.41371569
  H      3.02478032     -3.39788300     -0.84225817
  H     -2.02579746      0.61014366      2.41113817
  O     -5.81865279      1.09486067      2.00284531
  H      2.76052265     -2.23905919      0.14498894
  H     -0.31655900     -1.28899973     -0.79175195
  O     -5.63332246     -1.36869700      3.07854237
  H      2.72440102     -1.18063183      2.29133179
  H      0.57734091     -2.54308120     -0.80565862
  O     -1.54644373      2.36514160      1.85578989
  H      3.56298090     -0.42776728      1.24493666
  H      0.70599663     -1.37272236      2.93553734
  O     -3.68091714     -0.76813625      4.93259855
  H     -4.47120293      2.12350219      3.00874452
  H      0.82110770     -0.47629156      4.19363372
  O      1.04320641      1.42292541      1.62772607
  H     -3.02480452      2.67250869      2.90765640
  H     -2.72056320      2.28032037      6.49445023
  O     -2.37829295      2.08862568     -0.85861251
  H     -4.89839709     -4.39279969      1.55375941
  H     -3.04870277      2.07416786      4.99841169
  O     -2.32208726     -0.30775954      2.45435088
  H     -3.93649864     -3.30194993      1.03970331
  H     -1.48737898     -3.50608422      3.06260045
  O     -0.34012054     -2.25488470     -0.71723283
  H      4.34223483      1.88140970      0.21026460
  H     -2.97678368     -3.88376074      3.09159455
  O      1.26756236     -0.71213471      3.36856957
  H      3.29780085      0.93030812     -0.42346968
  H     -0.41604170     -2.42023299      1.10658617
  O     -2.62765470      1.66251524      5.77412162
  H     -6.72494834      1.39074049      1.99654584
  H     -1.18242666     -1.63159747      2.19652216
  O     -2.17053202     -3.90629996      3.61996020
  H     -5.81964937      0.20375174      2.40003134
  H     -2.23082579     -2.56022593     -0.58328163
  O     -0.52198099     -2.33045827      2.06072126
  H     -5.05140191     -1.20823845      3.83593755
  H     -3.48056272     -1.66487913     -0.38799581
  O     -3.17180336     -2.57928463     -0.36930959
  H     -5.27898174     -2.14740114      2.63331997
  H     -4.68343163      0.46992364      0.65279818
  O     -3.89524784      0.10903752      0.22783530
  H     -1.81091418      2.42315156      0.92907600
  H     -3.32205856     -0.15857860      0.96432209
          69
 Energy    -249.70265183181573     
  O     12.50968072      9.18165949    -16.34871645
  H     11.68846746      8.85633192    -15.93645588
  H     17.14359538      9.07095895     -9.65484680
  O     13.84165922      8.63754708    -13.93721066
  H     12.53989951      8.81494504    -17.22853455
  H     14.65080199      7.98213319    -12.38335280
  O     13.72586662     13.15062289     -6.98915842
  H     13.54946841      8.75098272    -14.84957941
  H     14.13383873      7.44036892    -11.02283411
  O     11.51077198     11.84864748    -15.78496730
  H     13.03132563      8.59721325    -13.40456459
  H     14.18166594     15.49403542    -11.82022808
  O     11.52438989      8.51889515    -12.42881376
  H     13.69812511     13.80801428     -6.30009144
  H     14.79712629     14.14414763    -11.39038346
  O     13.76464740      8.40885893     -8.07083039
  H     13.26458683     13.52981086     -7.76021313
  H     12.91195996      7.63023814     -9.33293023
  O     14.10845239     10.55229113    -10.67879121
  H     11.99942492     12.26423771    -15.06195451
  H     12.13286064      6.37893050     -9.79675132
  O     12.34401540     10.61785390     -7.22062949
  H     11.98725544     11.04343801    -16.02049448
  H     17.47443148     10.38930937    -11.65309275
  O     16.24464000     13.29856379    -10.87031772
  H     11.23241446      9.43048758    -12.28867137
  H     18.39686555     11.12307659    -12.65387754
  O     11.58615178     11.34666877     -9.81703686
  H     11.73434703      8.12717978    -11.57304955
  H      9.99054985     11.16552700    -13.09504878
  O     12.76980177     12.73121986    -13.39977065
  H     14.70040789      8.60397786     -7.96303959
  H     11.38065645     11.74049190    -12.71967452
  O     17.26295347      9.01785450    -10.61008756
  H     13.27682563      9.15291107     -7.68575347
  H     14.95805885     12.25782066     -8.00334948
  O     14.88881244      7.85905989    -11.45480710
  H     14.34374076      9.61904903    -10.73265223
  H     14.97805536     11.36680126     -9.28957586
  O     13.96185855     14.58629446    -11.62489155
  H     14.36262225     10.92847882    -11.53026754
  H     14.66579024     10.21167530    -13.59399943
  O     12.50534527      7.19983155    -10.10778689
  H     12.78094467     11.43601584     -6.96019593
  H     15.87507500     11.08768004    -13.10430052
  O     17.52350294     11.14002290    -12.27211807
  H     11.88590883     10.82840132     -8.04666100
  H      9.91939483     11.40214206    -15.20533390
  O     10.65684477     11.18236156    -12.39846806
  H     16.75585264     12.66206521    -11.38308260
  H      8.37569909     11.51566031    -15.13279446
  O     15.53587636     11.77684743     -8.60992981
  H     16.12086052     12.88955794    -10.00351323
  H     17.02320004      9.34503516     -7.06658716
  O     14.93648813     11.10180146    -13.32769991
  H     11.04067283     11.32099279    -10.61251633
  H     16.24371256     10.25430731     -8.04553315
  O      9.12309031     11.05415847    -14.76320370
  H     12.46071531     11.02812392    -10.08901706
  H     12.95762203     14.21747213    -10.05203147
  O     16.51716978      9.33632913     -7.87517724
  H     13.55904916     12.17286352    -13.47865828
  H     12.06041588     13.09894965     -9.47529873
  O     12.49720217     13.93373629     -9.25426315
  H     13.03838560     13.46998160    -12.84151195
  H     10.59966383      8.29360826    -14.07210316
  O     10.27874414      8.44898140    -14.97070637
  H     16.52366025      8.48305979    -10.93317200
  H      9.72646947      9.23963969    -14.91991936
          69
 Energy    -249.70241497120861     
  O     10.43980504     12.96313091    -11.61775365
  H     11.16158339     13.14695661    -10.99055450
  H     13.22441923     13.96279570    -10.20048385
  O     14.49051890     10.50275631    -12.50054726
  H      9.64621814     13.32835139    -11.23534780
  H     12.15583343     10.63207339    -18.60210671
  O     17.51748198     11.55535971    -14.36913452
  H     15.42199712     10.49249557    -12.24690234
  H     13.19216081     10.68518740    -17.45930374
  O     14.38500314      7.24491058    -11.27658863
  H     13.96800245     10.16861855    -11.76005313
  H     14.99183307     13.00228188    -14.70796237
  O     11.53824816     13.09197773    -14.20623420
  H     17.58601167     10.76564457    -14.91919571
  H     14.57992769     13.26793074    -16.15386475
  O     12.84733279     13.60855357    -16.72100955
  H     16.90490208     12.13797113    -14.83374784
  H     17.84609081      9.14923147    -16.86568854
  O     14.79987015     10.33154135    -16.61817417
  H     15.32731432      7.45378860    -11.27077712
  H     16.44145792      9.58117791    -16.39083783
  O     13.80867860     11.21827552     -8.70100297
  H     14.21845640      6.83469917    -12.13336110
  H     15.10410224     15.50409750    -11.26242437
  O     14.09006016     13.12480799    -13.14204903
  H     11.43605770     12.17089152    -14.48815511
  H     14.58580938     14.16086150    -11.83120926
  O     13.58897067      8.98564689    -14.57135004
  H     11.06567704     13.17197288    -13.36777564
  H     17.03522248      7.41078416    -13.33842340
  O     17.18424780      7.92968735    -11.53365490
  H     12.56002107     12.81441744    -17.18699437
  H     17.02001863      7.84535359    -14.83061794
  O     12.47961537     13.42989818     -9.89652929
  H     12.32378075     13.62969977    -15.90930576
  H     15.80540179     13.19316907    -10.25210816
  O     12.29204641     10.94704750    -17.71178654
  H     14.38331794      9.81492466    -15.90968252
  H     15.41769283     11.93169296     -9.46401655
  O     15.29229140     12.88593762    -15.62089040
  H     14.98898892     11.21463316    -16.26522914
  H     11.37926192     10.58625081    -16.00121782
  O     17.30193909      9.24938921    -16.08757580
  H     13.73125369     10.88877605     -7.80930105
  H     12.05765189      9.85943588    -14.83787813
  O     14.80887231     14.63369006    -11.00939003
  H     13.45997941     10.52392534     -9.28696935
  H     14.06981780      5.46341129    -14.34095846
  O     16.78660421      7.12908349    -14.22855626
  H     13.19839167     13.19208901    -13.50955175
  H     15.16828744      6.53767659    -14.12798851
  O     16.14218283     12.33944362     -9.95447630
  H     14.21209963     12.20393547    -12.86666243
  H     10.82767136     10.14860801    -13.13117957
  O     11.30372284     10.43014016    -15.05287272
  H     13.94818414      9.48008039    -13.81836209
  H     10.64160465     11.09480592    -11.93601281
  O     14.22412295      6.33539679    -13.98930517
  H     13.71294876      8.04557961    -14.39901216
  H     17.39353630     11.05180282    -12.64442187
  O     10.84692333     10.18004722    -12.16894154
  H     17.24704940      8.89923193    -11.58694154
  H     16.94353202     11.28520285    -11.13912405
  O     17.17663796     10.62008375    -11.80472811
  H     17.87305275      7.64348434    -10.93902329
  H     12.11795045      9.55122424    -11.05528229
  O     12.90078815      9.40939064    -10.50206858
  H     12.86877496     12.69327004     -9.40936020
  H     13.31173018      8.55911654    -10.72059622
          69
 Energy    -249.70193255142709     
  O     11.79882020      8.59033105    -13.34662916
  H     12.40440210      8.26392052    -12.66689582
  H     16.67841676      8.44906100    -17.34088405
  O     17.51804131      8.35353616    -14.26974665
  H     11.71642882      9.54099908    -13.20578580
  H     18.44058252     11.84719680    -14.68462688
  O     16.81877769     11.27359333    -11.03834592
  H     17.57592329      8.08145496    -15.19611423
  H     19.13338691     11.23836770    -13.43853482
  O     15.51897622     13.53859586    -14.56420592
  H     16.76515873      8.96421399    -14.23053175
  H     13.90141697     13.08196634    -14.94076748
  O     14.84158720      6.11416079    -15.64389523
  H     17.00862831     12.15663096    -11.37697319
  H     12.62921985     13.52780911    -15.69524736
  O     15.02160270      7.42863826     -9.07846550
  H     15.89496164     11.08688500    -11.26168503
  H     15.00198989     10.29398523    -13.46738092
  O     15.86785776      6.46712336    -13.11294041
  H     16.07964329     13.00301073    -15.14342801
  H     14.65884926      9.51480231    -14.77559627
  O     14.27812182     10.60271329    -11.81753585
  H     16.03786616     13.68245682    -13.76541355
  H     19.10748806      8.47641752    -11.00451031
  O     16.11562889     10.11847463    -18.13178400
  H     15.17185101      6.12577751    -14.72953719
  H     20.02643059      7.68671592    -10.04647396
  O     16.95485690      5.96635738    -10.65004416
  H     14.63733373      5.20488922    -15.84812155
  H     18.04160154     13.16848239    -12.94936967
  O     17.00641193     11.57317070    -15.86764568
  H     14.70224938      7.25763772     -8.19680316
  H     17.87051332     14.46101443    -12.11598332
  O     17.01009179      7.67254123    -16.87275678
  H     15.68070300      8.14276058     -9.00641449
  H     18.09351559     10.21692132    -11.87348045
  O     18.98047588     12.06442494    -13.91183498
  H     16.24995892      6.13203068    -12.28881466
  H     18.42587723      9.17344453    -12.99590741
  O     13.00913103     12.79819017    -15.21107005
  H     16.51720955      7.08386622    -13.48127537
  H     16.93699338     10.07290399     -9.59744086
  O     15.35290694     10.00745418    -14.31793744
  H     13.44166129     10.98571737    -12.10680648
  H     17.77627069      8.81203197     -9.31168763
  O     19.11185477      7.84009776    -10.26947884
  H     14.13484459      9.65332969    -11.68340463
  H     13.40059711      9.89242204    -16.73751772
  O     17.41319280     13.67442058    -12.40130577
  H     15.21272458     10.35589339    -17.85556810
  H     13.43282062     11.42169254    -16.56624660
  O     18.80527159      9.69232476    -12.26935358
  H     16.15783015     10.25529333    -19.07470563
  H     14.18448707      7.67682339    -10.70113787
  O     16.98629216      9.29154504     -9.03156673
  H     17.74363383      6.51085793    -10.53324708
  H     14.54697063      7.40147077    -12.18360931
  O     13.62576768     10.71751522    -17.19350407
  H     16.30169678      6.31828993    -10.03319356
  H     12.25540930     11.92242050    -13.82263907
  O     13.92768064      7.87458210    -11.61137104
  H     16.41289409     11.06294203    -15.29318099
  H     11.18053904     12.00911469    -12.71655992
  O     11.90575814     11.47630359    -13.03446381
  H     16.90122209     11.18364323    -16.74192498
  H     12.72273878      8.44969140    -14.86124397
  O     13.36503588      8.49459031    -15.58518877
  H     16.24458081      7.13251714    -16.64438326
  H     13.77696273      7.62698693    -15.67360499
          69
 Energy    -249.70179335606241     
  O     17.18008869     10.51193931    -11.20863775
  H     16.49477650     10.06372975    -11.72325239
  H     13.45584884     10.44672629     -9.62753689
  O     14.45199763      6.20405951     -7.02931984
  H     18.00121055     10.01399272    -11.31261162
  H     18.71988481      4.37510208    -13.08008127
  O     15.74216686     12.65202751    -10.15828022
  H     14.24489380      5.53474570     -6.38259139
  H     17.52303147      5.34492929    -12.93868909
  O     12.72650930      7.28196042     -9.09772789
  H     14.74571300      6.98835236     -6.53222607
  H     16.29623343      7.45033861     -9.09194546
  O     15.01056424      9.25414784    -12.47251556
  H     14.89132812     12.38112331    -10.51804797
  H     15.73624536      6.18796524     -8.40827431
  O     19.46671128      8.96972220    -11.21683025
  H     16.38056217     12.05368353    -10.57283403
  H     19.18608215      8.36652237    -12.97688392
  O     20.65557627     10.25023763     -8.99205860
  H     12.87877657      8.22652299     -8.96163972
  H     18.85938788      6.95013168    -13.48153042
  O     18.82031463      6.44593347    -10.21393870
  H     13.19341010      6.84505920     -8.37470838
  H     18.14649505     11.94078746     -7.32391355
  O     16.50506160     12.33242257     -7.51540578
  H     14.79611173      8.43287763    -12.00598190
  H     19.40571779     12.21829742     -6.47493112
  O     13.46567737     11.23397076    -11.31629512
  H     15.39769527      9.00460411    -13.32141386
  H     16.39877232      8.50389119    -15.64866239
  O     14.21388160     10.98896389     -6.35425986
  H     19.94696383      9.45026076    -10.53219941
  H     17.28157309      8.21889979    -14.41008559
  O     13.62500981      9.95711379     -8.81395029
  H     19.23285508      8.10677327    -10.84266702
  H     16.82749050      9.26658266     -8.15357451
  O     18.46791664      5.22687323    -12.73358593
  H     20.08587955     10.77382641     -8.40711053
  H     16.66335259      9.71858584     -9.64935687
  O     16.29894244      6.47971945     -9.13525724
  H     21.51236722     10.67157255     -8.98469861
  H     14.92798609      9.28096970     -5.82014832
  O     18.85422558      7.87997187    -13.74226319
  H     18.78926233      5.93279958    -11.03032567
  H     16.29381206      8.58193609     -5.91425392
  O     19.05985032     11.64329554     -7.15283440
  H     17.94503194      6.36403578     -9.80584897
  H     15.18441539      6.61839734    -10.58834005
  O     16.36075158      8.30382280    -14.71745385
  H     16.20356881     12.52325462     -8.41611916
  H     13.69393040      6.94714803    -10.62222459
  O     16.27265823      9.19239467     -8.94083940
  H     15.76292813     11.92712644     -7.05521706
  H     20.33071947      8.44773906     -8.26580737
  O     15.35703361      8.42189481     -5.73410847
  H     13.96891664     10.56209017    -11.80605728
  H     19.65765031      7.11197091     -8.64290596
  O     14.46602443      6.84328156    -11.19561602
  H     12.74525885     11.50092005    -11.88167477
  H     18.31607791      9.95476942     -6.65151633
  O     19.92099800      7.65892428     -7.89138547
  H     13.48541815     11.43112231     -5.92515545
  H     18.58612262      8.46783281     -7.00117430
  O     17.91107327      9.08076986     -6.67230808
  H     13.88193419     10.67105617     -7.21158461
  H     15.27613753      6.02704169    -12.67005477
  O     15.88729294      5.78929316    -13.38023253
  H     14.54799670      9.65792571     -8.85601713
  H     15.94002634      6.56431097    -13.95213343
          69
 Energy    -249.70161083500983     
  O     13.17534137     11.98350137    -14.14024563
  H     12.60946416     11.54861512    -13.49060397
  H     14.20104322      5.97607674    -15.18483672
  O     14.91520233      6.55967387    -13.54702326
  H     13.10835186     11.46174907    -14.95046350
  H     15.87024609      9.32946206    -14.81553927
  O     17.75491317      9.20972343    -11.64012770
  H     14.86913257      7.46691378    -13.88674175
  H     14.33191411      9.48813318    -14.93482334
  O     17.37313147      9.74784999    -15.81304380
  H     15.83956557      6.43542623    -13.30060165
  H     12.09575639     10.18971279    -11.47238529
  O     11.67534881      7.78504876    -16.07527874
  H     16.85363894      9.56488824    -11.66661122
  H     10.80784698     10.99391516    -11.75105274
  O     14.99340713      8.02312362     -8.53561871
  H     17.88597303      8.91118854    -10.73158495
  H     17.41034816      6.44761988     -9.89893207
  O     13.06775319      6.68136685    -11.53389067
  H     17.83948535      8.90427681    -15.75790624
  H     17.34187096      5.87985870    -11.32539507
  O     15.23828851     10.30669026    -11.88930826
  H     17.70895952     10.33296103    -15.11729952
  H     11.83315946      7.45327249    -12.74607671
  O     16.14071064      6.94574331    -17.33635873
  H     11.53529279      7.82727506    -15.11154439
  H     11.37573719      8.90000913    -13.04000711
  O     14.53866060      5.37220613     -9.51210425
  H     10.84711473      7.51201784    -16.46127710
  H     18.08849161     10.63586892    -12.91254719
  O     18.29096000      7.08487931    -15.71599710
  H     14.76938888      7.10415102     -8.73198179
  H     17.25542009     11.82319579    -13.46428900
  O     13.89594798      5.94632959    -16.10174407
  H     14.34620319      8.55471384     -9.01365351
  H     17.94100996      6.79585667    -13.89354378
  O     15.03532775      9.16241701    -14.36017423
  H     13.71229863      6.59472585    -12.25411082
  H     17.73605149      7.61214235    -12.58506768
  O     11.56474972     10.59718792    -12.17668106
  H     13.41338826      6.14199103    -10.81301590
  H     18.14456988      8.28702406     -8.21478232
  O     17.08540963      5.69746674    -10.41243118
  H     15.09439854      9.87432184    -12.74661800
  H     16.72157244      8.18126397     -8.81106891
  O     11.39401050      8.00717209    -13.40373536
  H     15.34865019     11.24427750    -12.08856966
  H     16.23886787      9.86023054    -17.18241470
  O     18.01410638     11.25621993    -13.64945746
  H     15.34850850      6.52204418    -16.97208327
  H     15.85072444     10.21773037    -18.63498000
  O     17.64468250      6.73168016    -12.97766834
  H     15.85951584      7.80817426    -17.65689899
  H     13.98393827      9.64294753    -10.87031254
  O     17.67012193      8.14721045     -9.02989266
  H     15.44031928      5.40762408     -9.87977042
  H     13.13187137      8.34356874    -10.78507240
  O     15.54033835      9.76669372    -17.85348953
  H     14.45674275      4.53230002     -9.06849843
  H     14.73269304     12.54678178    -13.54503715
  O     13.21757570      9.24093447    -10.42920813
  H     17.52317224      6.94345200    -16.30096783
  H     15.54080956     13.71220664    -12.93100312
  O     15.57232477     12.77557278    -13.10650403
  H     19.04100926      6.68247784    -16.14611980
  H     12.65036277      9.33312553    -16.31480660
  O     13.22751383     10.10691726    -16.25617105
  H     13.11688427      6.51279300    -16.14044682
  H     13.92331430     10.00993730    -16.91998693
          69
 Ord_Energy   -249.701584    
 O    3.37831259       2.12082291       8.03388977    
 H    3.41329646       2.03289962       8.99301815    
 H    4.28916597       2.02302074       7.71457195    
 O    3.13024664      -1.09567082       9.67653656    
 H    3.18147182     -0.262282968       10.1615534    
 H    2.61234450     -0.922757745       8.87803745    
 O    1.05362332      0.500028372       4.78136587    
 H    1.76184452      0.293982536       4.14481926    
 H   0.227216050      0.358306020       4.32814980    
 O    5.89137030       1.51127017       7.14420652    
 H    5.74671030      0.593425810       7.42283106    
 H    6.10329294       1.47195005       6.20370579    
 O    8.63032532     -0.396330535       5.48353863    
 H    8.37556171      -1.26496351       5.14857054    
 H    8.00052357      0.226622283       5.10039425    
 O    5.18882036      -1.44234896       4.20238018    
 H    4.59517670      -1.81583118       4.87419891    
 H    5.97348738      -2.00048876       4.19082165    
 O    4.38390636       2.70760107       3.45046711    
 H    4.34609365       3.49106121       2.90857196    
 H    3.75415611       2.84237027       4.18104458    
 O    5.67077827     -0.944207191       8.36486149    
 H    4.83493614      -1.03883255       8.83798218    
 H    6.29695940     -0.520060778       8.96359539    
 O    6.79047251      -2.36815810       11.4788237    
 H    7.20478201      -2.77190018       12.2377510    
 H    7.41863441      -2.45908093       10.7408676    
 O    8.44337654      -2.60350633       9.32797623    
 H    7.91933537      -2.99400544       8.61611462    
 H    8.95193768      -1.89318776       8.91864586    
 O    4.36327457      -3.46706462       10.3869514    
 H    3.81038356      -2.68201566       10.2610140    
 H    5.18054056      -3.15352845       10.7913609    
 O    2.12486434     -0.271465510       7.24721098    
 H    1.63515723      -8.99912715E-02   6.43527651    
 H    2.56108618      0.558957040       7.48665428    
 O    6.64773083      -3.27409053       7.25687504    
 H    6.31377316      -2.41016793       7.54782581    
 H    5.92796755      -3.89516568       7.42377043    
 O    2.52662444       2.88048148       5.43604708    
 H    2.75398374       2.78440976       6.36946440    
 H    1.90370345       2.16969371       5.23885202    
 O    4.27792692      -4.57674789       7.92168522    
 H    3.85189128      -5.42875004       7.95128584    
 H    4.29574108      -4.23999691       8.83569527    
 O    6.40214729       1.04779363       4.47550678    
 H    5.82929993       1.69727576       4.04938602    
 H    5.95723200      0.190725744       4.38540030    
 O    9.66389751     -0.400105566       7.98511171    
 H    9.30728149     -0.383285701       7.07877636    
 H    10.5918970     -0.191587582       7.91663694    
 O    3.50826263      -2.45677233       6.08318949    
 H    3.03142548      -1.75339890       6.54127932    
 H    3.66770577      -3.15982342       6.72153711    
 O    3.60605502       1.43350232       10.8109398    
 H    4.48796558       1.10542047       11.0654478    
 H    3.24878430       1.87913835       11.5744619    
 O    3.13678122      0.136495218       3.07888865    
 H    3.57428980      0.995639741       3.03978109    
 H    3.81840324     -0.498551279       3.33595324    
 O    6.02530956      0.382759690       11.3880043    
 H    6.69626665      0.739817023       10.7867651    
 H    6.24816084     -0.545377672       11.5261154    
 O    7.56532478      -2.91853976       4.71340942    
 H    7.26331282      -3.11434627       5.61793613    
 H    7.96150923      -3.71620965       4.37330818    
 O    7.63406897       1.04630446       9.28486919    
 H    7.14579630       1.44367409       8.55078983    
 H    8.40549183      0.613546312       8.89863110    
          69
 Energy    -249.70154113977139     
  O     14.80446300      8.18733135    -16.85503240
  H     15.44654701      8.72876838    -17.34326013
  H     14.96237299     12.40585369    -19.80355417
  O     13.73230656      9.34068420    -20.13628366
  H     15.17721134      8.08401237    -15.97074862
  H     16.51112168     13.77111278    -13.80061533
  O     12.48951290      9.40836291    -17.53668471
  H     13.20235713      9.42916395    -19.33831437
  H     17.58929108     13.29447080    -14.79492857
  O     15.50066371     15.38408007    -16.27404905
  H     14.13063824     10.20759863    -20.30535275
  H     17.69029524      6.36760783    -18.76911592
  O     15.01690153     13.03245159    -12.81662094
  H     11.70663888      8.91911804    -17.29717197
  H     19.11786888      6.54396809    -18.22476561
  O     18.62068380      8.91166844    -15.93694300
  H     13.25579954      8.87508241    -17.25768715
  H     14.58695676      7.95452455    -20.63500875
  O     13.75481306     11.64770110    -16.39968527
  H     15.73077857     16.30834164    -16.31384706
  H     14.74056177      6.81320615    -21.67050661
  O     16.86151333      9.50689966    -18.04172006
  H     16.13553916     14.96196112    -15.66759158
  H     14.00936446     14.58571225    -15.32749800
  O     16.31686006      8.10917499    -14.53268333
  H     14.69080993     13.23446745    -11.94430213
  H     13.36342811     13.19065826    -15.39116107
  O     15.61327172     10.82594847    -14.45024014
  H     14.38104349     13.40794095    -13.45239534
  H     16.71694493      6.28102054    -15.24469587
  O     17.57922525      8.58839423    -20.61158379
  H     19.14747904      8.11535005    -16.07280651
  H     16.62584362      5.58471008    -16.62667871
  O     15.00210528     11.76505438    -20.52474548
  H     18.07662521      9.02787680    -16.73059726
  H     16.78861730     12.64740989    -18.23305721
  O     17.10163585     14.07477394    -14.50103570
  H     14.36773364     11.25068819    -15.76513207
  H     17.86330230     12.00871748    -19.16442117
  O     18.58246719      6.64598152    -19.01850705
  H     13.22467415     10.93916837    -16.78229760
  H     18.04206823     11.90708216    -16.48570425
  O     15.14432706      7.19765052    -20.89729811
  H     17.07938826      9.13811327    -18.90607385
  H     18.47254442     10.75381168    -15.54828414
  O     13.45331470     13.97332055    -14.82990852
  H     17.03040371     10.45576986    -18.08770802
  H     15.58092276      6.27555888    -19.26923335
  O     17.12268444      5.60367186    -15.79906651
  H     17.18206385      8.31400081    -14.91811838
  H     15.40290003      6.75634755    -17.82681101
  O     17.63818097     12.18078428    -18.24185363
  H     15.95763391      8.97203611    -14.28402389
  H     17.81851931     10.33747940    -20.89142052
  O     18.08351493     11.63801396    -15.55611369
  H     16.44996337     11.10988390    -14.84590144
  H     18.36600311     11.53723630    -21.69578562
  O     15.85309289      6.08720448    -18.36218803
  H     15.39690768     11.47632688    -13.76981542
  H     18.81433701      5.98647188    -16.13020040
  O     17.85200500     11.30849047    -20.92544562
  H     18.12027068      7.92472015    -20.15408741
  H     20.34301815      5.76401366    -16.03043456
  O     19.68101175      6.34797369    -16.38998518
  H     16.75848578      8.14387875    -20.86080724
  H     15.23587670     14.12347911    -17.62231956
  O     15.13320563     13.31097422    -18.13308199
  H     15.93373033     11.67990358    -20.75568820
  H     14.62015052     12.70452110    -17.57822337
          69
 Energy    -249.70144681889229     
  O     16.13798626      9.44577380    -16.08564691
  H     16.66685049      9.21636795    -15.30958586
  H     17.01804014     10.18884604    -17.40461506
  O     14.71563732     11.88246426    -15.21672823
  H     15.46621434     10.06587058    -15.78064261
  H     16.13368652     12.20621758    -11.28135685
  O     19.91802602     10.26900823    -11.10091359
  H     15.61882359     11.95849403    -14.87144739
  H     16.14555820     10.67887894    -11.06379465
  O     20.12163081     12.95403751    -11.86367494
  H     14.15147113     11.64224180    -14.46608508
  H     18.60857396     16.54094415    -13.06521307
  O     13.43885418     11.28173693    -12.90110973
  H     20.28118527      9.91856813    -11.92330652
  H     19.86720551     16.96669005    -13.84399833
  O     17.41101222      9.24646461    -11.01826334
  H     20.01579344     11.22818521    -11.17227093
  H     20.24076334     12.30527074    -15.21911411
  O     17.80223340      9.23908031    -13.80032639
  H     20.59674247     13.77306554    -11.67433338
  H     21.43656747     13.00995504    -14.51185759
  O     15.38518920     12.68291607    -17.81585466
  H     20.32561312     12.71820427    -12.77878189
  H     15.65720571     14.37962113    -17.69826685
  O     18.33263869     15.18858029    -16.29332230
  H     14.16246009     11.32661030    -12.25242171
  H     15.36537512     15.82260042    -18.17903972
  O     21.38574555     15.43317643    -11.65936071
  H     12.63651575     11.44256381    -12.41217327
  H     20.74570987     17.29962261    -16.28455299
  O     18.81943284     12.47620639    -16.33907672
  H     18.30498390      9.62518729    -10.93872163
  H     19.75012685     16.16843961    -15.93655592
  O     17.47173922     10.72417796    -18.08053613
  H     17.33517582      8.57382501    -10.34653990
  H     16.22010818     15.37550671    -13.94634974
  O     15.55951902     11.43502516    -11.18225462
  H     18.76661659      9.25372029    -13.85824667
  H     17.63665207     15.36791524    -14.52734787
  O     19.50350984     16.88646442    -12.95289791
  H     17.57502599      9.11642699    -12.86881620
  H     21.66762697     15.33107894    -14.83987892
  O     20.88848427     12.21100160    -14.50746744
  H     15.01411116     12.37666218    -16.97606113
  H     22.04807992     14.92400831    -13.40845542
  O     15.81242626     15.32202366    -17.50208908
  H     16.07613308     12.05193140    -18.04597929
  H     21.34883264      9.05610178    -14.13171081
  O     20.52587507     16.65840378    -15.61370366
  H     17.49835447     15.33065894    -16.75890625
  H     20.79282861     10.49625666    -14.07385319
  O     17.14791799     15.51611359    -13.70758190
  H     18.55414644     14.25109138    -16.38718503
  H     17.44051542     11.01262667    -13.98978845
  O     22.11851610     14.64646043    -14.33014941
  H     21.80192308     15.94311145    -10.97018715
  H     17.28934526     12.43911086    -13.36361189
  O     20.62380276      9.57887456    -13.79857817
  H     20.68774365     15.99383366    -12.04438349
  H     14.56657991     13.88384206    -14.90581050
  O     17.27167275     11.94268606    -14.19070805
  H     18.49573552     11.89714922    -17.03846150
  H     14.98680432     15.08898972    -15.75927062
  O     14.74199924     14.82963716    -14.86194750
  H     18.23945952     12.32647645    -15.57304610
  H     18.34402722     13.31396609    -11.74920496
  O     17.39395529     13.45074210    -11.86844630
  H     17.62771724     10.15089557    -18.82601249
  H     17.28599843     14.25209740    -12.39985222
          69
 Ord_Energy   -249.701218    
 O   -11.3768072      -2.09894109       2.60138440    
 H   -11.1935768      -1.40056968       3.25787663    
 H   -12.1203318      -2.59748411       2.92918491    
 O   -5.11664534     -0.475530595     -0.959531605    
 H   -4.85243034      0.369082212     -0.578451872    
 H   -5.07220650      -1.14003026     -0.250900358    
 O   -4.60124111       1.92164767      0.489998281    
 H   -3.76984096       2.37039804      0.624910295    
 H   -4.85215139       1.53387880       1.34687006    
 O   -4.67212439      -1.72884667       3.75340557    
 H   -3.98285818      -2.05476594       4.32487154    
 H   -5.51879883      -1.89505291       4.20731926    
 O   -11.3966417       2.07888722      0.201064736    
 H   -11.4773359       1.10818434      0.161300063    
 H   -12.2497559       2.43540740      -3.08157504E-02
 O   -8.43392658      0.142129466       5.99748373    
 H   -8.47490406      0.347338021       6.92804480    
 H   -7.93883133      0.866901278       5.57578230    
 O   -5.12515068      -2.36369061       1.00614715    
 H   -4.93563795      -2.21750402       1.94006979    
 H   -5.82025480      -3.03070092      0.966901958    
 O   -7.30383968      -4.22731161      0.816839278    
 H   -7.15960979      -5.16814470      0.870037436    
 H   -7.51558638      -4.02821589     -0.113465771    
 O   -7.09327126      -2.08613801       4.86348438    
 H   -7.67362165      -2.33640695       4.13077402    
 H   -7.53648329      -1.36085176       5.31992722    
 O   -10.0143719       1.94837976       2.62149501    
 H   -10.5123272       2.09725285       1.80730081    
 H   -9.47226048       2.72946215       2.78908491    
 O   -10.7212906     -0.121128842       4.31047249    
 H   -10.5940914      0.674157083       3.77316761    
 H   -9.99854183     -0.114993252       4.94872332    
 O   -9.79748440      -1.51559973      -1.91074443    
 H   -9.99430180      -1.21114206      -2.79402757    
 H   -9.08359241     -0.944328189      -1.57352245    
 O   -8.62337685      -2.54083347       2.58794856    
 H   -9.58676815      -2.56168175       2.53438544    
 H   -8.25520897      -3.16986275       1.95383894    
 O   -7.85477686      -3.58911681      -1.72541344    
 H   -7.12239647      -3.18845701      -2.21563768    
 H   -8.60587215      -2.99311543      -1.82683623    
 O   -5.51532745      0.757925212       2.78232312    
 H   -5.11943769      -4.59013283E-02   3.14063072    
 H   -6.39617634      0.516023755       2.45196247    
 O   -8.19748497       4.03340101       3.05658174    
 H   -8.29941368       4.97235489       3.18325305    
 H   -7.70838785       3.91414070       2.22092199    
 O   -7.85485315       4.77739312E-02 -0.843411148    
 H   -6.92257118     -0.133344084      -1.01112282    
 H   -7.95594072       7.00056404E-02  0.119831592    
 O   -8.86230564       2.65752125      -1.02512813    
 H   -8.49482536       1.76556933      -1.09583533    
 H   -9.75561237       2.54174280     -0.681401670    
 O   -6.95138359       3.62357569      0.719010174    
 H   -7.61153555       3.36575174       5.76123409E-02
 H   -6.16274357       3.10244727      0.541539669    
 O   -5.75294399      -2.25636601      -2.98664999    
 H   -5.02484608      -2.42027283      -3.58081079    
 H   -5.43206692      -1.59863007      -2.34967327    
 O   -7.00621986       2.09855103       4.76569653    
 H   -7.40504646       2.82912803       4.27805996    
 H   -6.37148285       1.69708598       4.15789032    
 O   -8.02963734       8.47030431E-02   1.89530814    
 H   -8.72501087      0.687136352       2.18741751    
 H   -8.25729561     -0.813177109       2.17184806    
 O   -11.5131168     -0.614372134      0.159888685    
 H   -11.4759130      -1.16658103      0.949229181    
 H   -10.9871178      -1.04984152     -0.522273600    
          69
 Energy    -249.70090706311356     
  O     15.76204112      8.68191456    -12.36593880
  H     14.92501523      9.16360186    -12.28493553
  H     11.32713374      6.16768091     -9.84014400
  O     19.71578327      5.84274916     -8.49046626
  H     16.20101060      8.76945768    -11.50791072
  H     14.55311306      9.01060882     -5.95569410
  O     16.98057642      4.34470677    -10.99417227
  H     19.42453839      6.14371706     -9.36726409
  H     15.96780025      9.51471942     -6.38097541
  O     14.28439815      4.86718860    -10.61898820
  H     20.61351588      5.53465030     -8.59158258
  H     13.22994377      6.76478851    -13.01330730
  O     17.44855366      4.09061921     -8.19796834
  H     17.51296516      5.13793953    -10.85037539
  H     14.69004353      7.17567533    -12.69535060
  O     17.90498231      7.38833212    -13.52267545
  H     16.81966315      4.32583761    -11.94936106
  H     18.07966281      7.43206194    -10.44275431
  O     17.46645476     10.07245761     -7.52144629
  H     15.19286351      4.54153714    -10.67598034
  H     18.55949409      6.86823760    -11.79552169
  O     15.58389053      5.43090723     -6.69307879
  H     14.12028570      5.36594898    -11.43279758
  H     17.01288709      5.66211600    -13.76025274
  O     16.94458290      8.66807797     -9.86437212
  H     18.26576260      4.60332573     -8.18059308
  H     15.54112072      5.29550131    -13.55853148
  O     15.07519783      6.95060334     -8.96371636
  H     17.25761078      3.94767078     -9.13331124
  H     12.03251840      8.88828209     -5.73310557
  O     13.00506445      8.79712471     -9.12868816
  H     18.30842252      7.88646048    -14.22922576
  H     12.72840549      7.68182311     -6.40681327
  O     11.15238707      7.01035378    -10.27405869
  H     17.14064802      7.90758568    -13.21890187
  H     12.86016292      4.60959031     -9.58402715
  O     15.47699877      9.06442238     -5.68383751
  H     17.93728257     10.87429352     -7.31022320
  H     11.71849865      3.72524937     -9.03645355
  O     14.12254619      6.41746194    -12.89127105
  H     18.02445703      9.32986967     -7.22294808
  H     12.63116303      9.12359070    -12.25710018
  O     18.58981891      6.71150530    -10.84472916
  H     16.20698377      4.86195876     -7.16953352
  H     13.16899616      9.53837749    -10.87503869
  O     16.42235992      4.90788924    -13.64359893
  H     16.07441689      5.87520291     -5.99100927
  H     16.96966594      6.94216413     -3.84490757
  O     12.73146785      8.65431968     -6.33799989
  H     16.28336819      8.04631177     -9.51827969
  H     16.38662109      7.75412206     -5.03061375
  O     12.06352474      4.61482414     -9.02675858
  H     17.13888330      9.28526009     -9.15044757
  H     12.49164194      5.50014258     -7.38025853
  O     13.28333701      9.68676874    -11.82369731
  H     14.79822910      6.25379546     -9.57186533
  H     13.75849771      5.66058592     -6.52238427
  O     16.94260916      6.98714474     -4.79652558
  H     15.25686809      6.52239516     -8.11700195
  H     10.77105273      7.63477953    -13.36976835
  O     12.83950462      5.95259102     -6.60315664
  H     13.74080580      8.16763948     -9.10473666
  H     11.34281116      7.34818519    -11.95911656
  O     11.58197534      7.59727269    -12.87085399
  H     12.79174446      8.95938796     -8.20240394
  H     18.31175105      7.48114471     -6.00661026
  O     18.84408987      7.89384636     -6.69879568
  H     11.70455528      7.66320864     -9.82205492
  H     19.16827570      7.18396965     -7.26491054
          69
 Energy    -249.70036259757111     
  O      0.25471541     -0.90989468      5.67344987
  H     -0.02488000     -0.01215956      5.44611836
  H     -5.41185076     -1.43708243      2.51522625
  O      2.22033946     -0.63174409     -1.86562095
  H     -0.55436136     -1.39623763      5.86830275
  H     -1.50116053      1.98010929      1.42129788
  O     -2.28727312     -2.29072377      6.17901393
  H      1.32450821     -0.33425483     -1.65850196
  H     -0.03185238      2.07953650      1.84770993
  O     -0.22242221      0.02138418     -0.58593463
  H      2.22326636     -1.58342700     -1.70199288
  H     -3.50686403     -1.01095226      5.62056713
  O      2.15086878     -3.33937180     -0.87707168
  H     -2.31421678     -2.84011669      6.95843180
  H     -3.84850654      0.49816094      5.40578698
  O      3.30079329     -2.13780515      1.27275030
  H     -2.47282763     -2.87453556      5.42117082
  H     -2.91599774     -0.59289440      3.58592426
  O     -3.46811890      3.24839466      3.10668256
  H      0.32163312      0.27185367      0.17540375
  H     -1.54401664      0.08800945      3.52864001
  O     -4.80394566     -3.13311280      1.97057814
  H     -1.11784539      0.31931423     -0.38612881
  H     -0.44239214     -1.77347326     -0.53976506
  O     -0.81042436      1.45588816      4.61791876
  H      2.65474379     -4.10666601     -1.13441307
  H      0.30336630     -3.11487523     -0.65350701
  O      3.68040882      0.49057806      0.14452180
  H      2.57232236     -2.98415888     -0.07356978
  H      0.73281706     -2.03160010      2.90038909
  O     -5.12511837      1.69173652      1.37336622
  H      2.75831320     -1.97448118      2.05638041
  H      1.19003186     -1.27359773      4.15874335
  O     -5.57841655     -0.53679754      2.81957522
  H      3.59863037     -1.27041867      0.97423641
  H     -3.55739705      2.92966646      6.27753319
  O     -0.90149016      2.48534549      1.98344918
  H     -4.07179966      2.79291568      2.50609309
  H     -3.45072114      2.68302178      4.75096703
  O     -4.06189666     -0.39918033      5.11899478
  H     -2.59382102      3.21377796      2.70110350
  H      1.33681558      0.09094001      2.23472074
  O     -2.13603130     -0.48767373      3.02822911
  H     -5.39526034     -3.80370152      1.63689549
  H      2.17171973      0.86786170      1.18076343
  O     -0.55921661     -2.73161273     -0.45283250
  H     -4.26224086     -2.84149341      1.21630899
  H     -2.02896433     -3.65554932      3.40788921
  O      1.42168066     -1.43939681      3.23470266
  H     -0.75004383      1.95839108      3.79547376
  H     -3.56350733     -3.60231580      3.37083967
  O     -3.32044057      2.27491744      5.62638525
  H     -1.59453198      1.77638772      5.08233704
  H     -0.72173265     -2.88730874      1.36486073
  O      1.30895600      0.83279994      1.61307199
  H      4.43909384      0.98452043     -0.15346661
  H     -1.29434398     -2.02826290      2.53337998
  O     -2.81683529     -3.75997023      3.96024400
  H      3.23715322      0.14377156     -0.65042213
  H     -2.43304853     -2.50920108     -0.32630412
  O     -0.78031101     -2.82463942      2.32638067
  H     -5.92849949      1.98052164      0.94930554
  H     -3.19626016     -1.20689193     -0.02072748
  O     -3.30189924     -2.16176212     -0.08509160
  H     -5.34702542      0.89633462      1.89226554
  H     -3.54666795      1.04884263      0.68603511
  O     -2.68260961      0.62826556      0.59300608
  H     -5.22252308     -0.49150767      3.71815058
  H     -2.49677246      0.18793853      1.44013069
          69
 Energy    -249.69945801492227     
  O     -1.51510808      3.83409915      2.24081777
  H     -1.17479169      3.06386536      2.71338745
  H     -0.33969410      8.30853148      0.31832946
  O     -2.52817573      5.88876978     -1.08741136
  H     -2.05941628      3.52597677      1.50427956
  H     -0.02864181      0.93997663      0.26493527
  O      4.51356586      6.14518226      1.49756882
  H     -2.44004271      6.57066336     -0.40907372
  H      1.34103184      1.37819317      0.81763475
  O      1.89652577      6.94057132      2.04416641
  H     -1.65304875      5.77019874     -1.48355774
  H      0.42349421      3.79242035     -2.57675141
  O      0.06259208      5.42600785     -1.84833953
  H      5.36681020      6.56916082      1.52732736
  H      0.13414045      2.30928239     -2.27578500
  O      2.53967290      2.69720146      0.45206260
  H      4.30496928      6.00168400      0.55630465
  H      1.38282060      7.96753642     -1.32727989
  O      0.68599050      4.75730070      0.74755074
  H      2.83506316      6.72543781      1.96693031
  H      1.95399871      8.30448167     -2.72736921
  O     -2.11143327      7.84649189      0.87347410
  H      1.62801719      6.82167473      2.96415102
  H      2.35830122      3.71509857      3.84735766
  O     -1.15137568      1.37787415     -1.20688621
  H      0.29612552      5.18265252     -0.93751614
  H      0.97877128      3.04740367      4.09472329
  O     -1.56867486      6.45661394      3.11420415
  H      0.63373520      6.16449322     -2.09088698
  H     -5.01718229      5.69584928     -3.14509036
  O     -2.84102969      3.27274244     -0.13037902
  H      2.92579856      2.77909829     -0.42685008
  H     -4.13555472      5.64879085     -1.88706692
  O      0.59393462      8.44500702      0.12254500
  H      1.90617368      3.42584508      0.54394776
  H     -0.44110934      0.94033198      4.02320686
  O      0.55782372      0.84788556      1.02440130
  H      1.09455803      5.50414252      1.20427584
  H      0.06845592      1.31297024      2.61017725
  O      0.72515449      2.89208488     -2.76594969
  H     -0.04596579      4.44549486      1.29447364
  H      3.89843719      2.72341621     -2.80651918
  O      1.81181977      7.58704544     -2.11650859
  H     -2.72153843      8.54481041      1.09668935
  H      2.42627685      3.05956120     -2.46819619
  O      1.52729997      3.79896748      4.33958628
  H     -1.91712455      7.37238800      1.70259646
  H      1.07080707      6.66637699      5.46795083
  O     -5.00317388      5.39383036     -2.24022448
  H     -1.70010301      0.72265213     -1.63252634
  H      1.08711093      5.42763920      4.53940939
  O     -0.23173551      1.68099651      3.46112372
  H     -1.75497788      2.04438200     -0.83993950
  H      4.13797147      4.49406113      2.41732029
  O      3.35009174      3.21260578     -2.19930714
  H     -1.65264768      5.51860213      2.88935751
  H      3.45980730      3.19257158      1.97930789
  O      0.87699043      6.38000152      4.58020563
  H     -0.79416743      6.51958632      3.68447071
  H     -6.35516155      3.10811448     -0.40123722
  O      3.78712815      3.66358689      2.75827797
  H     -2.69361354      4.17592352     -0.44386959
  H     -5.42866135      3.87893168     -1.35686886
  O     -5.49341541      3.07835529     -0.80918125
  H     -3.77891145      3.08337992     -0.27492978
  H      3.17074624      6.41968614     -1.48350897
  O      3.80598123      5.80800202     -1.09267193
  H      1.07974595      8.02317794      0.84658013
  H      3.67201109      4.95365347     -1.52032726
          69
 Ord_Energy   -249.699402    
 O   -6.92368126     -0.119947091       4.53885984    
 H   -6.07288599     -0.361035705       4.14755201    
 H   -6.79255724      0.773062229       4.88136816    
 O   -4.19613886       3.22012329       9.14952850    
 H   -3.63876557       2.62724280       9.66788292    
 H   -3.62630606       3.60151768       8.46884823    
 O   -2.97316241      -2.34976554       7.82812309    
 H   -3.65566421      -2.95683694       7.50043821    
 H   -3.18695068      -1.50519454       7.41398001    
 O  -0.240828022       4.68609428       5.63897181    
 H  -0.722014368       5.01703548       4.86973000    
 H   0.281463951       3.93996692       5.31974792    
 O   -2.46520185       1.29910672       10.3932867    
 H   -1.99864137       1.33262038       11.2236977    
 H   -2.96028471      0.459947348       10.3793125    
 O  -0.607764482       3.01928353       2.27882218    
 H    7.95537606E-02   2.85129976       2.93693614    
 H   -1.00258529       3.86621618       2.52151370    
 O   -1.99562395       5.25655842       3.43018532    
 H   -2.71527290       4.70973206       3.78628445    
 H   -2.39932394       6.04830933       3.08348775    
 O    1.06753469       2.37048507       4.52626419    
 H   0.577439785       1.59314311       4.84106731    
 H    1.99256468       2.13779688       4.55479240    
 O   -4.21306849     -0.642061114       4.04865217    
 H   -3.61533332      -2.01594993E-03   3.63854718    
 H   -4.14959669     -0.480661720       5.00208044    
 O   -3.56889462      -3.29141784       4.03407717    
 H   -3.61582708      -3.69556761       3.17131329    
 H   -3.82236457      -2.35919309       3.92237496    
 O  -0.555912554      0.321576178       5.41834402    
 H  -0.701882362     -0.635747492       5.40532112    
 H  -0.870318532      0.646220028       6.27392435    
 O   -3.85964370     -0.986942708       10.1218357    
 H   -3.45896602      -1.61275208       9.50387096    
 H   -4.73569727     -0.795807302       9.76141357    
 O   -4.99663210      -3.64588118       6.50917482    
 H   -4.61024475      -3.63178849       5.62407351    
 H   -5.78658295      -3.09438586       6.48273039    
 O   -4.04384947      0.144139796       6.72275066    
 H   -4.68683863      -1.15307104E-02   7.43021774    
 H   -3.27539968      0.604452193       7.08810997    
 O   -5.86754370       2.17146087       5.84364557    
 H   -6.28404093       2.42305732       6.67715502    
 H   -5.20643997       1.50504935       6.07923698    
 O   -7.30364799      -1.84699118       6.60435343    
 H   -8.15938759      -2.26582551       6.55359936    
 H   -7.23390865      -1.25550830       5.83480883    
 O   -2.34685946       1.27981639       3.49217987    
 H   -1.75222850      0.909833074       4.15991926    
 H   -1.79658425       1.80785358       2.89668441    
 O   -1.74881601       1.33270085       7.69384146    
 H   -1.92854548       2.25571275       7.45900917    
 H   -1.83321190       1.26448190       8.65268993    
 O   -6.71007776       2.50561237       8.50693130    
 H   -7.33995819       3.05391455       8.96618271    
 H   -5.82218933       2.80071545       8.78406239    
 O   -3.77191281       3.43382955       4.53434849    
 H   -4.62695980       3.13211012       4.86578751    
 H   -3.31661749       2.65972376       4.16998672    
 O   -2.47656250       3.88386583       6.99506712    
 H   -1.63446689       4.25525808       6.69219065    
 H   -3.00338602       3.75678563       6.19521093    
 O   -1.28282940      -2.32411194       5.55282784    
 H   -1.64829421      -2.47524953       6.43405819    
 H   -1.91344452      -2.73721647       4.95252848    
 O   -6.07909441     -0.250441372       8.56428909    
 H   -6.61320543     -0.803135633       7.97786856    
 H   -6.45686722      0.637959599       8.58848572    
          69
 Energy    -249.69922185283698     
  O     10.58464856      8.68167357    -12.53343835
  H     10.81925514      8.42124160    -13.43179102
  H     16.33833682      6.73069650    -13.73357660
  O     11.80986202      3.70933155    -10.19720868
  H     11.33755026      9.18101568    -12.19640037
  H     14.10144497      5.12286612    -11.74806838
  O     17.60683958      6.95232894    -12.44739579
  H     11.73304619      4.48358706     -9.62611364
  H     14.46575670      6.20924128    -12.82605040
  O     14.58890966      4.29767350    -15.03012783
  H     12.75347300      3.57488873    -10.35241155
  H     10.01459511      7.32920953    -11.49558926
  O     16.71974719      4.70702148     -9.40044074
  H     17.11716975      7.07687119    -11.62233718
  H      9.79150364      5.79157982    -11.49480432
  O     15.06275780     11.60504125    -11.16550043
  H     17.99124723      7.81028504    -12.66945237
  H     19.12021098     10.02390320    -13.35936027
  O     11.38610414      6.19265310     -8.79940765
  H     13.65442162      4.41043673    -14.81711123
  H     17.57395108     10.00557733    -13.30374976
  O     13.94109025      8.96785617    -14.24020891
  H     14.94639897      3.65060021    -14.40945747
  H     13.53667511      6.99279097    -10.83010465
  O     17.20460302      9.89032157    -10.32694280
  H     16.60333296      5.66489870     -9.52441931
  H     12.81619083      7.16279053     -9.47203972
  O     15.90353273      2.62560319    -13.09065144
  H     17.05627314      4.58414411     -8.51657510
  H     17.60517777      4.25642820    -11.06374785
  O     14.55156428      3.61070500    -10.84368933
  H     14.30838610     11.00219625    -11.28339181
  H     17.91211039      5.12237354    -12.28746408
  O     15.50774927      6.74553347    -14.22604431
  H     14.70753974     12.42945377    -10.84392149
  H     16.64858502      8.24194923     -9.95507151
  O     13.81012457      5.94353169    -12.16787515
  H     10.76740793      6.37600079     -9.53245796
  H     15.31688068      7.44040396     -9.91048664
  O      9.80273305      6.57143022    -10.93032133
  H     10.89051200      6.29065167     -7.99121790
  H     15.74088708     11.19728244    -12.90959197
  O     18.37914119      9.58825617    -12.94754309
  H     14.54581682      8.21106204    -14.29087542
  H     15.32605309     10.23507473    -14.04039661
  O     13.50349301      7.54457606    -10.03030005
  H     13.11430610      8.67101349    -14.63738041
  H     10.72492302      3.84797018    -11.56191473
  O     17.82190278      4.20302575    -12.00262167
  H     16.49468317     10.51941129    -10.50769155
  H      9.44943950      3.36831501    -12.29271400
  O     16.27795976      7.34671970     -9.96118015
  H     17.73500894      9.85878644    -11.13232959
  H     13.43902453      9.43409183    -12.54031481
  O     16.06217809     10.76753919    -13.71230633
  H     16.65471513      3.16763946    -12.78750657
  H     13.24286399      9.02179326    -11.04099248
  O     10.13023328      4.03549076    -12.31100093
  H     16.25899192      1.77463580    -13.33410026
  H     11.65754949      6.80336185    -14.80131752
  O     13.13228421      9.74493463    -11.67509792
  H     14.95652103      3.13211486    -11.57937042
  H     11.08258712      7.70116997    -15.91977328
  O     11.53378695      7.72603015    -15.07964885
  H     15.26503944      3.91264737    -10.26653137
  H     12.56259147      5.50042343    -13.35541181
  O     11.97310514      5.19428925    -14.06252811
  H     15.34330200      5.88474153    -14.63837206
  H     11.25841858      4.72747639    -13.61178212
          69
 Energy    -249.69921345561988     
  O      0.65851270      0.24340768      3.05128525
  H      1.28816096     -0.00948406      2.36093433
  H     -2.41124736      0.43837401      7.10826730
  O     -0.54454206     -1.53398878      4.84439474
  H     -0.21487914      0.30212026      2.63585687
  H      0.81162877      3.48724052      2.28199669
  O     -4.50107698      0.28108668     -1.51394001
  H      0.00006017     -0.96267404      4.28539849
  H     -0.22862487      3.92434682      1.21855368
  O      0.57167357     -1.84845660     -0.82771080
  H     -1.08677980     -0.94214470      5.37872004
  H     -3.16701567      1.30738399     -0.80465480
  O     -3.21200989      3.61658605      3.33316020
  H     -4.78883028      0.24666158     -2.42197068
  H     -1.61100482      1.43953950     -0.84134735
  O     -4.25483482     -2.68215867      3.36955728
  H     -4.21887820     -0.62068328     -1.27315170
  H     -2.54606278      0.20134641      2.56309263
  O      1.10273071      2.75385623      3.98815124
  H      0.71150411     -2.59913477     -1.39906400
  H     -2.10919435      0.79847473      1.17336811
  O     -0.13971980      0.83000054     -1.53889833
  H     -0.14405930     -2.09205461     -0.21685757
  H     -3.01095368     -2.31844747     -0.15400806
  O     -5.54161884      1.97728151      3.01596884
  H     -2.84259263      3.84991402      2.47311302
  H     -4.54863350     -2.39692281     -0.03849556
  O     -3.77790735     -0.00689738      3.90419676
  H     -4.02387264      3.12671605      3.15949353
  H      1.79577794     -0.91223395      0.31030796
  O     -2.05928199      4.15780294      0.79035138
  H     -3.38578213     -3.09552268      3.41433355
  H      2.30635552      0.53415539      0.45401532
  O     -2.21499766      0.37326630      6.17821616
  H     -4.12204150     -1.75499635      3.61624488
  H     -2.07210766      3.10570732      4.61033076
  O      0.70295844      3.71318007      1.34994846
  H      0.99161723      1.83114256      3.69697397
  H     -0.56412227      2.85565348      4.87022297
  O     -2.41386586      1.73595325     -0.38163380
  H      1.93393040      2.79739417      4.45398355
  H      2.74064444      2.74006805     -0.81869277
  O     -1.84736145      0.21561042      1.89609220
  H      0.63188934      1.33117070     -1.24425048
  H      1.59330543      2.76442118      0.21756401
  O     -3.82942022     -2.18512368     -0.64819171
  H      0.07754009     -0.09850225     -1.39309507
  H     -1.17759466     -2.88038251      3.96444257
  O      2.26683682     -0.31825252      0.90752608
  H     -6.38369395      2.28925407      3.33699773
  H     -1.20303838     -4.41483389      3.77917160
  O     -1.44120815      2.74997372      5.25458234
  H     -5.72730054      1.43419308      2.22901724
  H     -1.46286230     -2.88689352      1.70538125
  O      2.06769068      2.19754395     -0.41707766
  H     -4.41461005      0.70069364      3.74650580
  H     -1.61862892     -1.41962471      1.24590435
  O     -1.54960026     -3.60123685      3.42370010
  H     -3.32234626      0.16244839      4.73931390
  H     -6.61454390     -3.10911232      1.34083963
  O     -1.47519733     -2.32310847      0.92295854
  H     -2.34141494      4.85753990      0.20648215
  H     -5.32823825     -2.60873211      2.04071041
  O     -5.90000994     -2.48357627      1.26113462
  H     -2.22511445      3.31924199      0.32560673
  H     -6.04369610     -0.60335393      1.07982722
  O     -5.99962097      0.34631205      0.91065304
  H     -1.90181869      1.25255134      5.89268644
  H     -5.56806987      0.43692137      0.05314910
          69
 Energy    -249.69863614479954     
  O     12.35254891     11.17068527    -15.00749742
  H     12.58269785     10.41542414    -15.56681059
  H     17.28892379     10.98357976    -15.94989098
  O     15.50272404      6.58074010    -12.73878878
  H     13.07775555     11.79930172    -15.09795055
  H     14.45146603      8.87781513    -14.89421186
  O     17.86070933     10.58223572    -12.19581129
  H     16.38176699      6.90048897    -12.49469249
  H     15.15533532      8.06892266    -13.74674648
  O     12.33455938      6.43765904    -15.48783048
  H     14.89588317      6.81879313    -12.02457649
  H     10.41976950     10.62341358    -12.59802661
  O     15.01424385     10.40602098     -8.66089740
  H     17.93470986     10.59111458    -11.23042519
  H     11.66851263     10.65167243    -13.51143615
  O     13.72589564      7.55153564    -10.86741994
  H     16.97391431     10.90524512    -12.41224201
  H     18.09711538      7.42884473    -10.44069564
  O     15.32005034     11.24018343    -12.96621417
  H     11.58897803      5.88789476    -15.71412963
  H     18.77637730      6.82992963     -9.18997998
  O     16.65545615      7.34822221    -16.12341137
  H     12.16641814      6.78036987    -14.59072113
  H     12.45758488      7.34059637    -12.25457599
  O     15.32770575      7.53937423     -8.64202347
  H     14.45297534     10.45325104     -9.45203255
  H     11.63096456      8.43085551    -12.95508269
  O     14.99944601      5.37584874    -15.21567526
  H     14.60635204     10.96466388     -8.00357870
  H     18.51958776     10.63201578    -13.85711321
  O     19.06317193      7.72859174    -14.71990395
  H     14.20160893      7.38341135    -10.04097092
  H     19.55532778     11.15470132    -14.87302818
  O     16.52892717     11.27493653    -16.46868414
  H     13.68621742      8.51300478    -10.95501895
  H     17.86718661      8.71958400    -12.16585687
  O     15.18965650      8.88054590    -14.27132595
  H     15.10852348     11.92693398    -13.60810013
  H     18.45465971      7.58086366    -13.02102140
  O     11.31180810     10.29606477    -12.67708210
  H     15.28574366     10.39573755    -13.44848783
  H     16.85747335     10.39820424     -9.16112961
  O     18.07156902      7.40888114     -9.46944225
  H     16.33595561      7.98570344    -15.46791714
  H     17.95514407      9.33270310     -9.33202500
  O     11.92252091      7.51529545    -13.03910261
  H     16.15849786      6.53487974    -15.94648906
  H     15.82100462      8.79675692    -18.90819723
  O     18.78297213     10.59873649    -14.79222789
  H     15.23495898      8.48841988     -8.49056980
  H     16.05574337      8.32294751    -17.45308160
  O     17.98340132      7.76012586    -12.19477500
  H     16.25633394      7.39970066     -8.86561127
  H     12.72031205     10.40978184    -11.46596399
  O     17.75811989     10.26560412     -9.48224875
  H     14.07893164      5.62308152    -15.36215236
  H     14.21553147     10.74460245    -11.65706496
  O     15.60340622      8.98935660    -17.99994949
  H     15.18420231      5.60975202    -14.29394632
  H     14.77904382     13.71153761    -15.48840430
  O     13.57738445     10.38608529    -11.02232183
  H     18.36061936      7.43045667    -15.31260923
  H     15.34541973     12.28744253    -15.70244756
  O     14.69338762     12.80771045    -15.19831779
  H     19.09263561      8.68719419    -14.83033551
  H     12.93803395      8.02543108    -16.21939543
  O     13.28377896      8.91924855    -16.34738587
  H     16.26503152     10.53829320    -17.03100866
  H     13.95998559      8.89906554    -17.03538890
          69
 Energy    -249.69836505733150     
  O     19.40595054      9.35561422     -6.95668763
  H     19.93849923      9.92763249     -6.40953219
  H     18.06373739      9.81504182     -8.17752916
  O     17.50964309      5.26026976     -9.92851499
  H     20.01568989      8.88835886     -7.55314535
  H     16.98613132     10.58635232    -12.37570259
  O     18.32192379      5.73712153    -13.48741670
  H     16.91010983      5.12091758    -10.67205446
  H     15.98311599     10.70982809    -13.55081552
  O     18.64065231      8.39505426    -13.16019542
  H     17.91699070      6.12904345    -10.06874230
  H     21.48981798      4.84733683    -12.71597156
  O     21.87952596      7.67677361    -11.32867156
  H     19.07272707      5.42010057    -12.97026754
  H     21.21767930      6.11929492    -11.88910626
  O     15.84074310      5.28015421    -12.11966513
  H     17.51310360      5.40930591    -13.07503987
  H     12.71365811      6.05521232    -11.32282594
  O     20.72504578      5.36204108     -7.32586144
  H     17.80968216      8.87388550    -13.25807460
  H     13.39774978      7.40703733    -11.57520319
  O     13.62406230      5.18930651     -8.38643086
  H     18.50219431      7.46958443    -13.41289320
  H     14.28923070      8.33800874     -8.69027432
  O     20.82644079      7.78571076     -8.71423766
  H     21.75637432      7.74522960    -10.37320193
  H     15.59498854      7.56815645     -8.36788088
  O     18.59351925      7.75768931    -10.37230449
  H     21.57156510      8.51796411    -11.68651558
  H     15.53764475      8.71050670    -12.05975745
  O     18.43282153      6.71708606     -6.21482912
  H     15.04129028      4.81952108    -11.83579934
  H     15.28305592      8.10355846    -10.64516327
  O     17.51464891      9.92122291     -8.96463941
  H     15.65336278      6.22572881    -12.01600933
  H     19.98009861      9.45093831    -12.78452663
  O     16.38647330     10.08345954    -12.95605966
  H     20.49697293      4.86110184     -8.13035996
  H     21.05193469     10.51184646    -13.12811580
  O     20.84779180      5.25555435    -12.13911235
  H     21.32829594      4.81908141     -6.82606926
  H     16.89119325      6.24060192     -7.02169484
  O     12.55310196      7.00702508    -11.32481849
  H     13.15083240      6.02887297     -8.35186905
  H     16.63653871      5.64617229     -8.42794801
  O     15.24776535      8.36421031     -8.79807483
  H     14.49351650      5.36379213     -8.00064710
  H     11.65183336      8.21005650     -8.46717700
  O     15.19010975      7.94116897    -11.59375623
  H     20.89191118      6.94880920     -8.23423735
  H     12.39704887      7.57866187     -9.66854263
  O     20.64961525     10.04484906    -12.39900981
  H     20.08587923      7.70255313     -9.33650507
  H     17.99247565     10.91532901    -10.43005379
  O     16.19274917      6.02652044     -7.65510611
  H     18.63467033      7.94887179    -11.31657821
  H     19.09881991     10.96057511    -11.51940753
  O     12.48349977      7.82621922     -8.73039118
  H     18.17031508      8.51160380     -9.94063857
  H     20.40117388      4.46292181    -10.48161969
  O     18.20176228     11.24748374    -11.31507620
  H     19.18346401      6.18975380     -6.51579382
  H     19.08367921      4.38722432     -9.69985727
  O     20.02797868      4.18197999     -9.63758366
  H     18.69459950      7.63691429     -6.33320741
  H     13.54246212      4.54674031    -10.01590934
  O     13.46052755      4.30254386    -10.95550442
  H     16.65873462      9.49960037     -8.80015849
  H     12.99977958      3.46825042    -10.98156209
          69
 Energy    -249.69757479479250     
  O     12.93632334     13.09038390    -14.20579561
  H     12.65068184     12.49377887    -13.49091746
  H     17.86662368     13.90061724    -16.33703941
  O     20.72375420      8.17810253    -11.25114803
  H     12.20127512     13.66927210    -14.38937721
  H     12.90260304      8.50303516    -14.13132666
  O     17.84172874     11.39418326    -12.01485819
  H     21.54724627      8.12218908    -10.77409707
  H     14.19627391      8.17026045    -14.89099331
  O     12.29130864      8.47432604    -12.31179487
  H     20.90992272      8.65818613    -12.07830763
  H     15.17866225     10.81724420    -14.00925113
  O     16.78039109      6.93468994    -11.89496470
  H     17.08282804     11.05729385    -12.51992121
  H     15.71330924      9.48344749    -13.48680927
  O     14.19616213      7.22437000    -10.64484132
  H     17.54527249     12.21509900    -11.60506600
  H     13.65458032     11.75678956    -15.28751497
  O     19.35699048      6.20749917    -12.82545425
  H     12.96278063      8.04676173    -11.75927446
  H     13.78463077     10.20450683    -15.48576472
  O     18.10487464      9.05332316    -15.66187529
  H     11.47645025      7.99896854    -12.15997756
  H     16.48961740      9.15833715     -9.65270429
  O     18.12549036      9.02773036    -10.61262887
  H     17.23041817      7.67182528    -11.45485301
  H     15.22805453     10.04664803     -9.77338415
  O     16.61242656     11.08011568    -17.00772972
  H     15.90155410      6.88036198    -11.50396233
  H     20.92165290      8.64651394    -14.30069981
  O     20.13444937      7.16551791    -15.24840720
  H     13.95889382      6.55828671    -10.00393050
  H     20.60796193     10.11656502    -13.95115897
  O     17.57530744     13.23578248    -15.71814154
  H     14.64202754      7.93803607    -10.15130834
  H     14.75881088     13.68096461    -13.94037790
  O     13.31213184      8.54974116    -15.00271764
  H     18.44064489      6.26472804    -12.52718953
  H     16.24854365     13.68000265    -14.40900367
  O     15.60516568     10.41148127    -13.24475481
  H     19.86755589      6.74706641    -12.20831696
  H     16.60577977     14.52088528    -10.73011223
  O     14.22759791     11.05719423    -15.62057785
  H     18.79388343      8.37722337    -15.66504116
  H     16.16455557     13.82736687    -12.04482630
  O     15.55073627      9.20162548     -9.43062347
  H     18.47478168      9.81908316    -15.20076680
  H     12.21331184     10.40689002    -12.29356790
  O     21.12172685      9.34885181    -13.66918291
  H     19.04191677      8.73551608    -10.69221732
  H     12.99944275     11.50043822    -11.56061891
  O     15.65772861     13.91674644    -13.68360301
  H     18.07499309      9.88600319    -11.05754494
  H     18.84882610     11.37180893    -13.48775102
  O     16.45081417     13.66822715    -11.12547534
  H     15.72125115     11.02940742    -16.62982095
  H     18.80523082     12.03721648    -14.87407191
  O     12.29266832     11.36364874    -12.20724107
  H     17.07549127     10.28026333    -16.73121525
  H     14.93628121     11.05084444    -11.66460906
  O     19.21989289     11.31961668    -14.38124220
  H     20.54894044      6.48420104    -15.77045338
  H     15.21623536     12.27880398    -10.76807471
  O     14.69265361     11.47049512    -10.82364535
  H     19.83120508      6.74472919    -14.42390475
  H     16.29754391      7.43247791    -13.58170143
  O     15.95228280      7.88268168    -14.36318215
  H     17.22078646     12.49822073    -16.24801516
  H     16.70372064      8.23109354    -14.86399628
          69
 Energy    -249.69751197316253     
  O     17.45146824      6.78943198    -13.89551986
  H     16.65258289      6.27843527    -13.71580855
  H     15.50160060      9.49610204    -19.54737248
  O     19.28874952     10.91206841    -12.01164426
  H     17.39028375      7.04909298    -14.82086099
  H     15.99123350      9.60112012    -12.05693773
  O     14.96149163      5.42541068    -13.49571581
  H     19.10195489      9.96910964    -11.95719906
  H     15.84412047     11.03823972    -12.67426001
  O     15.41080338     10.71419710     -9.03421871
  H     18.68803177     11.35712096    -11.39459397
  H     14.07698890     11.47319630    -15.78526963
  O     14.19584708      6.73905896    -11.26762761
  H     14.89078418      4.48741204    -13.34019883
  H     13.27933380     10.51768249    -14.84757527
  O     12.94029224     12.73832549    -13.00771645
  H     14.65851574      5.86844036    -12.68263063
  H     19.42808773      7.55423448    -11.56559525
  O     13.14912315      9.09025006    -17.37856687
  H     15.13810312     10.84633841     -8.13021805
  H     18.27070018      7.65616214    -12.58120457
  O     16.20587949      8.52281169    -10.57653059
  H     14.62634075     10.87332774     -9.58932386
  H     12.51367944      8.78091099    -12.46494513
  O     16.78303570      7.94305422    -16.51167843
  H     13.40397598      7.28787532    -11.25996454
  H     11.14914596      8.45574649    -11.80910402
  O     14.27078078      7.11830620    -15.62631609
  H     14.91508682      7.30762792    -10.95641176
  H     14.78454463     12.97855699    -12.69022206
  O     17.55968111     10.07485056    -15.02606143
  H     12.31748382     13.45783905    -13.08180503
  H     16.16673084     13.18810076    -13.38141569
  O     15.55312263      9.50920587    -18.59541151
  H     12.97354691     12.31217199    -13.87952212
  H     19.43127241     11.70299417    -13.51700406
  O     15.86153058     10.09284454    -12.87644672
  H     12.94984945      9.83634852    -16.80266829
  H     20.32181649     12.28523793    -14.64174177
  O     13.20792678     11.32159439    -15.38611097
  H     13.34374058      8.33740231    -16.80408354
  H     16.79022480     11.74573822     -9.85373459
  O     18.67966087      8.09209869    -11.81317428
  H     16.09714564      9.22637519     -9.92365999
  H     16.85074931     12.59241212    -11.13229273
  O     12.06614298      8.63014949    -11.61282447
  H     17.14101283      8.40473383    -10.78773256
  H     16.37338440     11.04608571    -15.99642015
  O     15.73413438     12.86391764    -12.57665230
  H     17.13810951      8.68370405    -15.99341035
  H     15.71953401     11.01418997    -17.38351188
  O     19.42162727     12.06048902    -14.42500375
  H     16.49834208      8.33639603    -17.34498614
  H     13.10343839     11.62480537    -11.40155488
  O     17.40507437     12.18483570    -10.45164333
  H     14.40966249      6.41875323    -14.97496752
  H     12.77955716     10.21427376    -10.87267678
  O     15.75652360     11.52706971    -16.56831461
  H     15.15012067      7.37075213    -15.94608667
  H     17.87582045     13.12972444    -14.80214166
  O     13.23637697     11.03557747    -10.65096540
  H     18.28871449     10.68830395    -14.87760788
  H     16.57273046     13.02544637    -15.62962324
  O     16.99817586     13.51764707    -14.91678750
  H     17.04518176     10.02120297    -14.20669076
  H     13.76669624      8.35707233    -14.44700175
  O     13.54027089      9.07847613    -13.84598531
  H     14.65205992      9.34600366    -18.26410697
  H     14.37102320      9.42450126    -13.48347595
          69
 Ord_Energy   -249.697281    
 O   0.285572559       2.32756162       4.42588139    
 H   0.587546170       2.49356604       3.52510786    
 H  -0.369681418       3.01446724       4.61097956    
 O   -5.31157017     -0.982566059       4.83022976    
 H   -4.99717951      -1.25007868       3.95460844    
 H   -4.55259132     -0.561223865       5.25251627    
 O   -3.11045361      0.671563745       5.63880444    
 H   -2.21841526      0.317931473       5.70395088    
 H   -3.15113187       1.08900142       4.76355839    
 O   -8.79938793       3.10240030       5.29801512    
 H   -8.18478203       2.37278366       5.11009312    
 H   -9.67731190       2.72946143       5.28428221    
 O   -5.31058264      0.296955347      0.361337751    
 H   -4.67797184      0.959459841       2.87880599E-02
 H   -5.79651117      -2.60773804E-02 -0.392505169    
 O   -1.37413526       1.16397226       1.16234362    
 H  -0.573345065       1.69102585       1.28349030    
 H   -1.23418045      0.307032347       1.58505762    
 O   -5.55262327       4.77723122       2.62690902    
 H   -5.69215679       3.82429767       2.51530290    
 H   -6.36440325       5.12919998       3.02079225    
 O  -0.414867818     -0.169652417       5.15449190    
 H   0.195451960     -0.484043360       5.81611538    
 H  -0.131119415      0.732861400       4.91759968    
 O   -5.80137873       2.06702900       2.45814013    
 H   -6.22907734       1.70383310       3.24552894    
 H   -5.80586338       1.40303004       1.75837958    
 O   -3.49535704       2.17214966     -0.327682823    
 H   -3.56652045       3.09217978      -4.84930500E-02
 H   -2.67716670       1.82897687       5.89969084E-02
 O   -7.73765469       5.51126051       4.10760689    
 H   -8.17413139       4.71873903       4.44442272    
 H   -7.38632011       5.96522331       4.88349819    
 O   -4.93627024       2.64652467       6.43993044    
 H   -4.23086739       1.99248993       6.35329723    
 H   -4.64367104       3.45578170       5.99838638    
 O   -7.17142296       4.02388716       7.48181677    
 H   -6.39251232       3.47022533       7.33271694    
 H   -7.84204865       3.70321274       6.86575270    
 O   -6.80879116       1.26837695       4.90916061    
 H   -6.45269346      0.366936207       4.88675547    
 H   -6.19721031       1.78063512       5.45896149    
 O   -1.10712612       4.85699224       1.84346604    
 H   -1.94633090       4.90512466       1.37137067    
 H   -1.33455312       4.77817678       2.78073955    
 O   -4.34346342       5.09021139       5.16123819    
 H   -4.70393324       4.99913120       4.26773930    
 H   -4.94455385       5.66952181       5.64484358    
 O   -1.86128795       4.12390804       4.43217373    
 H   -2.57759714       4.62813139       4.83610678    
 H   -2.29703069       3.37547374       3.99257398    
 O   -6.42592716       6.44167376       6.49846458    
 H   -6.71657515       5.63026714       6.95291138    
 H   -6.54528856       7.16081572       7.11221027    
 O   -4.16658735      -1.46070027       2.33760428    
 H   -3.21708250      -1.31619978       2.40507817    
 H   -4.48477077     -0.904191732       1.61678648    
 O   -3.68771005       4.89684629      0.613143206    
 H   -4.34675598       4.92984295       1.32638597    
 H   -3.92867017       5.58243561      -6.21567992E-03
 O   -1.25642455      -1.17769814       2.68480635    
 H  -0.882396698      -2.04822540       2.56565213    
 H  -0.982904017     -0.876339674       3.56518912    
 O   0.745500684       2.91614056       1.65970159    
 H    1.52942741       3.20097399       1.19881546    
 H   0.127903372       3.67168331       1.66173422    
 O   -3.11834860       1.99417293       3.21367264    
 H   -2.55578971       1.73268306       2.47493768    
 H   -4.03200436       2.01136661       2.90284133    
          69
 Energy    -249.69719923378489     
  O     17.30153917     12.34391496    -18.71519998
  H     17.39834847     11.86713224    -19.53544987
  H     19.36470720     14.68122727    -18.28103560
  O     18.51226832     17.90321513    -13.98476217
  H     18.16342518     12.75583878    -18.52610482
  H     15.38874102     11.60845825    -11.76433002
  O     20.15192562     12.78823084    -13.81985850
  H     18.29620101     18.38218339    -13.17531354
  H     16.58889814     11.74867186    -12.72883411
  O     16.95406465     14.71782556    -11.89881033
  H     17.81582569     17.24534138    -14.13209976
  H     19.97053206     16.99834982    -13.42214403
  O     14.51928419     15.31563653    -15.99804924
  H     19.46847115     13.21182976    -14.36250224
  H     20.44171286     15.75279711    -12.61865753
  O     17.92411299     10.99097732    -13.55462810
  H     20.14215894     13.25154240    -12.97259059
  H     18.75304781     14.48309148    -11.69821231
  O     14.61000119     12.63361178    -14.95347209
  H     16.51945046     13.85781577    -11.95932485
  H     19.90029832     14.79699215    -10.70903324
  O     21.51929728     13.69646804    -16.17635633
  H     16.81654371     15.16012482    -12.74803143
  H     15.93179321     11.78452103    -15.78788492
  O     22.16460468     16.36199818    -15.41304518
  H     13.71008314     15.73103365    -16.28335330
  H     16.88392023     11.61449867    -17.02016191
  O     17.39301836     16.76828823    -10.05228878
  H     15.06083528     15.17725432    -16.79654240
  H     19.32417262     17.80550666    -15.66822272
  O     16.12234156     14.91970339    -18.15075299
  H     18.78623604     11.42286621    -13.58140781
  H     20.63386679     17.18225357    -16.20559300
  O     19.52144467     13.76338286    -18.02422024
  H     17.61359922     10.94248444    -14.47013697
  H     20.92305183     17.64681170    -11.57556333
  O     15.82332428     12.22015116    -12.35320276
  H     14.89979398     12.61992879    -14.03305145
  H     19.88758131     18.58174937    -10.93656777
  O     20.75510232     16.52865371    -13.10211828
  H     14.51510913     13.55741548    -15.21380614
  H     17.56357764     19.75910020    -11.11454149
  O     19.71360079     14.43471116    -11.58351359
  H     21.81657053     14.58313435    -15.93727423
  H     17.74474273     18.23341067    -10.92914628
  O     16.80180904     11.46059716    -16.07236554
  H     21.24289555     13.27447448    -15.35297571
  H     20.34517776     16.75241947     -9.67542913
  O     19.77918249     17.53795196    -16.47691993
  H     23.03077023     16.75251050    -15.32850100
  H     20.48977557     15.91183189     -8.38383657
  O     20.70758988     18.10673686    -10.75294576
  H     21.75289243     16.39736967    -14.53173539
  H     18.67671979     13.92921548    -16.33503907
  O     18.05430656     19.00695203    -11.43451265
  H     17.10965098     16.04460615    -10.62832100
  H     17.65863566     13.02689533    -15.60622120
  O     20.02644495     15.95530178     -9.21568800
  H     18.19458076     16.45704303     -9.61478853
  H     18.70091404     16.91480689    -19.32532704
  O     18.19138538     13.82822132    -15.50797256
  H     16.90126917     15.47427324    -18.28268218
  H     18.97610900     16.81997657    -17.80802698
  O     18.57963278     16.35213576    -18.56492868
  H     16.38965458     14.02520241    -18.39261467
  H     15.89755826     15.81449554    -14.88081972
  O     16.73981437     15.85208237    -14.41280112
  H     20.32509748     13.71455414    -17.48347468
  H     17.30197456     15.17027771    -14.81508785
          69
 Energy    -249.69702196226979     
  O     12.31014358      9.55496627    -10.33345200
  H     12.79252567      8.97303018    -10.93793236
  H     14.43070776     10.80238126    -13.26157555
  O     10.68320144      7.37017990    -12.93255747
  H     12.93182298      9.88808498     -9.67618527
  H     14.42229350     14.71629643     -8.34620150
  O     11.40127495     11.52406136    -11.93187956
  H     10.27464928      6.77254104    -13.55465370
  H     14.10530288     15.46058608     -7.02734913
  O     14.09175672     10.58710513     -8.45595180
  H     10.29720834      8.24563588    -13.09286043
  H     10.75816917     12.53348341    -10.53915996
  O     15.34827220      7.64521945    -10.18001092
  H     11.66561378     10.81370228    -11.32394237
  H      9.71377596     12.58281337     -9.38762141
  O     13.81523490     15.25317994    -11.92937109
  H     12.22530315     11.93469201    -12.22572467
  H     11.03525574      8.69771477     -7.21531916
  O      8.32879554      9.60529432    -10.63883117
  H     14.13840883      9.75432781     -7.97010652
  H     10.91181344      7.54819196     -8.23780395
  O     13.92757377     12.49521485    -12.46110449
  H     13.47094848     11.19029015     -8.02322103
  H      9.67712016     10.71152343     -7.49880248
  O     15.48310838     14.46303213     -9.70826364
  H     14.91471574      7.68055596     -9.32011920
  H     11.07386283     11.10568532     -7.00208386
  O     10.28987240      7.69764947    -10.06770468
  H     14.65771649      7.49403776    -10.84042199
  H     14.44491712      7.48209455     -6.82016172
  O     11.99696994     15.37151185     -9.91596945
  H     13.81928412     16.07037060    -12.42013231
  H     13.12077824      7.84749077     -7.52780686
  O     14.71973033      9.89120859    -13.39178674
  H     13.11271625     15.33176825    -11.25884541
  H     15.12825571     11.35126862     -9.65684154
  O     13.73342175     14.86694025     -7.67382439
  H      8.88770343      8.87606079    -10.33484572
  H     16.18925114     11.05842208    -10.74717606
  O     10.51288187     13.00285458     -9.73056839
  H      8.59770690      9.76894813    -11.54836978
  H      9.21797899     10.39639310    -13.97953035
  O     11.39851816      7.83130951     -7.45582991
  H     13.89799438     13.45957941    -12.43383914
  H     10.24384249     10.57114507    -12.83676562
  O     10.42877139     10.38805130     -6.98922800
  H     14.49331475     12.22625093    -11.72168478
  H      7.49986322     11.68554868     -8.40045609
  O     14.08953464      7.94267000     -7.57553661
  H     15.68144648     13.53614520     -9.90135609
  H      8.30106368     10.82308218     -9.40510851
  O     15.63672912     11.75631826    -10.37589055
  H     15.06312114     14.81201003    -10.50338658
  H     17.73346491      9.16497751    -11.62575415
  O      9.60655750      9.95011577    -13.23130989
  H     10.96987168      8.39072499    -10.02068924
  H     16.37365923      8.81778519    -10.97493389
  O      8.38207053     11.50243287     -8.71238456
  H     10.37851515      7.31952769    -10.94853737
  H     13.80303126      8.50169820    -12.75032858
  O     16.84931600      9.49428570    -11.49003050
  H     11.36571555     14.64037395     -9.87364128
  H     12.54487542      7.58030151    -12.56635736
  O     13.39785584      7.82047101    -12.18890052
  H     12.50012961     15.33118655     -9.09358695
  H     11.68378439     12.63290339     -8.35478318
  O     12.27287614     12.46811190     -7.60418771
  H     15.53000359      9.79381591    -12.87444816
  H     12.77857593     13.28065255     -7.47840359
          69
 Energy    -249.69668484184274     
  O     13.38211779     14.04099178     -9.82120119
  H     13.18655110     13.08798069     -9.77221315
  H     13.19994041     13.71834800    -15.85046903
  O     15.62169811      8.90112103    -11.00979069
  H     12.87932892     14.45943037     -9.12695895
  H     11.12707797     14.47940309    -14.51904278
  O     15.97879645     15.90484157    -12.93903434
  H     14.72216864      9.12931617    -11.28937567
  H     12.43943946     14.53213628    -13.70018131
  O     14.24738306     10.75017864    -15.92367945
  H     15.78666375      9.41093531    -10.20770268
  H     18.91719230     12.64454258    -13.93099995
  O     15.47226243      6.85540439    -12.94649387
  H     16.70418844     15.60615591    -12.38003151
  H     18.52073570     11.77660641    -12.73644425
  O     16.34433601      7.27631030    -15.48896842
  H     16.10017717     15.43186702    -13.77428980
  H     13.96187497     11.05525303     -9.22758146
  O     15.41222326     12.43574749    -12.82088386
  H     14.13807098     11.65371839    -16.25741105
  H     12.92363872     10.69055098    -10.30031317
  O     12.99429745      9.52741491    -11.77112774
  H     15.18959933     10.59507861    -15.78397878
  H     14.48228724      7.70095337    -15.82937240
  O     16.96340397     10.01729826    -15.41545820
  H     14.50937288      6.83824750    -13.01786802
  H     13.66642226      8.99753644    -15.92795773
  O     18.39608096     12.35218624    -15.80226313
  H     15.66389646      7.43936271    -12.20179691
  H     16.02012380     11.62210484     -9.34290719
  O     12.91524973     11.53055983    -13.62802724
  H     16.11115902      7.10693725    -14.55804255
  H     16.32290374     10.79210458     -8.07366005
  O     13.91178573     13.41853097    -16.42840934
  H     16.78259181      6.49186901    -15.80782924
  H     18.40340029     13.95113984    -11.95672185
  O     11.96292880     14.03925939    -14.39354837
  H     14.49793657     12.17780623    -12.99401200
  H     18.82493763     15.13665518    -11.05955665
  O     18.94001278     12.61667496    -12.96777018
  H     15.48249354     12.74071732    -11.90940547
  H     16.80495066      9.77876737    -12.11917268
  O     13.12419840     11.33888547     -9.61286674
  H     12.76218141      8.70979901    -12.22794132
  H     16.58571963     11.14760844    -12.78365208
  O     13.58364108      8.04691285    -15.77011430
  H     12.90086369     10.23894692    -12.42299823
  H     13.30018720     14.87275452    -11.53421291
  O     15.86155734     10.76662889     -8.90803467
  H     16.83434881      9.07620703    -15.58577414
  H     14.22927176     15.55506658    -12.57254739
  O     18.06532610     14.65027897    -11.36917127
  H     17.09006322     10.09553624    -14.45682245
  H     11.94932629      6.59754402    -13.47145946
  O     17.21956626     10.41447105    -12.71359088
  H     18.92299931     12.35294011    -16.59749283
  H     12.90374454      7.53450477    -14.24952624
  O     13.32256476     15.25175881    -12.41922761
  H     17.93048329     11.49961957    -15.77797617
  H     15.21408252     13.70576773     -9.98171718
  O     12.65752690      7.22561776    -13.35857570
  H     13.33138931     11.19612399    -14.43704795
  H     16.71418137     13.80126132    -10.47311154
  O     16.02309647     13.20570275    -10.15476879
  H     12.45419854     12.34644352    -13.86020001
  H     15.95996311     13.47142271    -14.21089720
  O     16.23768316     13.99919934    -14.97636968
  H     14.72874885     13.74468267    -16.02526582
  H     17.00928263     13.55476632    -15.34456774
          69
 Energy    -249.69600025937766     
  O     10.60666301     10.97826969    -12.60696783
  H     10.22956899     10.53531338    -13.37800400
  H     16.12071488      5.76921473    -15.24718412
  O     13.73643110      7.34675097    -14.93691509
  H     11.48407979     11.27860453    -12.87458643
  H     16.31874969     11.78645035    -14.62200892
  O     16.58150754      9.46013794     -9.87963990
  H     14.22485326      6.72106298    -15.48435753
  H     15.89219331     13.18841064    -15.11455939
  O     19.02586544      8.94452368    -15.89070540
  H     14.40686740      7.89599989    -14.49829177
  H     15.26672507      9.08673398    -12.77261877
  O     12.34193696      9.60855803    -15.60456163
  H     15.84619091      9.80418152    -10.41444267
  H     16.34137401      9.29228063    -13.86701014
  O     15.17445850      6.97086549     -9.76174056
  H     16.67348854     10.04795432     -9.13277211
  H      9.48908495      9.48510996    -10.03507826
  O     12.69975661      6.24923303    -12.61476738
  H     19.71522736      9.06049288    -16.53840441
  H     10.31384002      9.88464119    -11.28378296
  O     14.42444119     10.05943373    -11.47700183
  H     18.22303726      8.67787764    -16.37582542
  H     18.43550203      6.84639920    -13.43954241
  O     16.71982719      8.28113284    -17.07313116
  H     12.74766034      8.74590416    -15.42975849
  H     19.19373386      7.89629790    -14.27474135
  O     15.02395310      4.95752518    -11.55257877
  H     11.39654533      9.50755652    -15.44320072
  H     10.87409654      6.80691121    -12.78344862
  O     17.58463066     10.65296604    -14.20824856
  H     15.78852211      7.71388906     -9.73751333
  H      9.99829112      7.82753190    -12.02400470
  O     15.69904735      5.75060721    -16.12369948
  H     14.29133375      7.36015176     -9.82559353
  H     18.88762578      8.92357292    -12.27115813
  O     15.55502799     12.32291464    -14.89794363
  H     13.01129119      6.60588406    -13.45940489
  H     18.02542323      9.57861951    -11.15703220
  O     15.68614207      8.66770916    -13.53407917
  H     13.40337506      5.67686442    -12.28655428
  H     16.38610615      7.00643832    -13.48531363
  O     10.15515661      9.17055680    -10.63974529
  H     13.77263290      9.43383358    -11.12876701
  H     16.18224004      5.59754503    -12.87946178
  O     19.15578956      7.48633405    -13.40109290
  H     13.98852301     10.59165691    -12.15600742
  H     13.89622325     10.10173059    -16.59220855
  O     10.06043275      7.32237837    -12.84457248
  H     16.31715337      7.43279938    -16.86323806
  H     15.07428027     11.03632142    -16.28810401
  O     18.63634468      9.77239235    -11.87565593
  H     16.02148646      8.95224037    -17.04800732
  H     11.83354266      8.46525476    -10.42005765
  O     16.66336210      6.07953105    -13.56270039
  H     15.09555773      4.11770574    -11.10645189
  H     12.67730376      7.47395753    -11.26843482
  O     14.81126327     10.28830956    -16.83586297
  H     15.14590877      5.64583369    -10.87287569
  H     13.99189335     11.82524911    -14.00304675
  O     12.72154611      8.10599938    -10.53574331
  H     17.97703705     10.48573356    -13.33608994
  H     12.93198015     10.74380591    -14.29971964
  O     13.23893298     11.35963308    -13.61773670
  H     18.13161529     10.18788780    -14.85383904
  H      8.85997395      9.15976076    -15.15251169
  O      9.70450331      9.25993709    -14.72180954
  H     15.90039228      4.90323794    -16.51146336
  H      9.80260298      8.50589900    -14.11324216
          69
 Energy    -249.69565123027417     
  O     13.39067396     10.91211778    -14.20863684
  H     13.93762425     11.15929331    -14.96262267
  H     15.23622876      5.22465633    -13.21973164
  O     16.52130064      6.28990178    -12.35444190
  H     13.82823254     11.27661376    -13.42834011
  H     16.50793576      9.09588179    -18.04910473
  O     18.95806414      8.52361437    -15.48570999
  H     16.61131342      6.99518271    -11.69830786
  H     15.09294147      8.73318303    -17.56153964
  O     14.47544673      7.30820665    -16.54799390
  H     17.36179419      6.21264170    -12.82496873
  H     15.87581391      7.49144047    -13.55598839
  O     12.55833312      6.09054268    -14.87660161
  H     18.79398093      8.36995835    -16.42428567
  H     14.61165677      8.35881051    -13.75414674
  O     20.13408796     10.70042076    -11.51755138
  H     18.33243916      9.20859611    -15.20914254
  H     15.69796937     11.54701692    -11.82433822
  O     16.68455421      8.51031029    -10.70830061
  H     13.67654268      6.88152842    -16.22041211
  H     14.66664985     12.58063662    -11.32562466
  O     17.03256802     10.32330844    -14.64832191
  H     14.93645907      7.61023908    -15.75011537
  H     20.26127748      7.07965336    -11.43842038
  O     17.26277272      4.20582658    -15.34652058
  H     11.82611116      5.48159667    -14.91944804
  H     21.39720839      6.05845366    -11.68703442
  O     19.44750597      8.16045078    -10.34901186
  H     13.31633426      5.59038457    -14.52234216
  H     13.51124003      8.77915709    -11.48570609
  O     16.65527775      5.87153761    -17.55213971
  H     20.44601347     10.18972823    -12.28645810
  H     14.14749909     10.08141467    -10.99004096
  O     14.77712209      4.78557307    -13.94894320
  H     20.83446818     11.30410933    -11.28539893
  H     18.60240811      7.93764569    -18.95857858
  O     15.62740880      9.46138049    -17.90815378
  H     16.96028940      9.30876894    -11.17774324
  H     17.65630858      7.21198884    -17.97137660
  O     15.48990977      8.17615554    -14.11489168
  H     15.73160780      8.61563909    -10.56846788
  H     19.48907905      6.17568047    -13.41109705
  O     14.75058644     11.75840419    -11.80305005
  H     16.52467645     10.90341160    -15.22717577
  H     18.79211079      6.94474276    -14.56954848
  O     20.73147848      6.57782845    -12.12923517
  H     16.45802056      9.56366466    -14.45098914
  H     20.35023570      8.94506644    -14.30866076
  O     14.01904790      9.15488212    -10.75385411
  H     17.69742363      3.35718496    -15.30706124
  H     21.01952175      8.21036114    -13.13092702
  O     18.14729360      8.04005038    -18.12704644
  H     17.84118319      4.83569911    -14.88519601
  H     18.32529748     10.98189541    -11.79573387
  O     18.75907616      6.13368376    -14.04246588
  H     18.48271767      8.17811709    -10.29579558
  H     17.32798916     10.76922023    -12.96851254
  O     20.92704931      9.07715295    -13.54463818
  H     19.71461502      9.05837389    -10.58105316
  H     15.33169439     10.87668285    -16.96315203
  O     17.38707497     10.93319629    -12.01438947
  H     16.87599356      5.22035652    -16.87625700
  H     15.13016454     12.40708116    -16.86253694
  O     15.22137799     11.61643015    -16.33810528
  H     15.81969670      6.27184981    -17.27343261
  H     12.59085655      7.70971297    -13.81246435
  O     12.86572667      8.41361043    -13.21437446
  H     15.48612010      4.47729337    -14.52403160
  H     12.84060743      9.26592703    -13.67930936
          69
 Energy    -249.69511263449374     
  O     13.39290393     14.04687152     -9.94448573
  H     13.20828267     13.09236976     -9.88266686
  H     13.30692443     13.77397136    -15.84537555
  O     15.64508354      8.90548263    -11.06147466
  H     12.90486587     14.46368043     -9.23848701
  H     12.55782100     14.60385705    -13.72382944
  O     16.15884765     16.15454855    -13.18676260
  H     15.79863496      9.39263949    -10.24292335
  H     11.21816061     14.52082372    -14.49475013
  O     14.31385767     10.79991161    -15.93074604
  H     14.74383140      9.12922891    -11.33790846
  H     18.99573121     12.65028012    -13.98247600
  O     15.49958690      6.87263419    -13.00891900
  H     16.26179978     15.49082307    -13.89055573
  H     18.61825327     11.79379794    -12.77731625
  O     16.38166837      7.30316008    -15.54404785
  H     16.37155633     17.00046672    -13.57369352
  H     13.96578264     11.05354309     -9.26704838
  O     15.47940010     12.48095365    -12.78947516
  H     14.22367840     11.70499635    -16.26424473
  H     12.93918204     10.68984439    -10.35088178
  O     13.00988178      9.52168364    -11.81728885
  H     15.25329966     10.62306702    -15.79511931
  H     14.52669780      7.74382712    -15.89050824
  O     17.01258192     10.03858295    -15.44357348
  H     14.53704236      6.85528366    -13.08283640
  H     13.71892133      9.04693710    -15.97314474
  O     18.39292403     12.39136269    -15.87495924
  H     15.68981121      7.45392164    -12.26158659
  H     16.02435549     11.55816984     -9.31249528
  O     12.99178193     11.56978129    -13.62800612
  H     16.14511528      7.13036518    -14.61449739
  H     16.30865126     10.68912397     -8.06548287
  O     14.03018394     13.48732874    -16.41622052
  H     16.82510417      6.52164159    -15.86283466
  H     18.33542443     14.00169616    -11.97955208
  O     12.06746267     14.09912135    -14.39759274
  H     14.56933917     12.20230023    -12.95051558
  H     17.37592625     15.22408253    -11.99283847
  O     19.02727503     12.63473247    -13.02016028
  H     15.57974863     12.72021676    -11.86026269
  H     16.84491431      9.78692355    -12.15583800
  O     13.14172383     11.34801125     -9.67359452
  H     12.93414318     10.24423863    -12.45912750
  H     16.65715584     11.17214299    -12.79119142
  O     13.62936324      8.09414836    -15.83441742
  H     12.78141823      8.71240783    -12.29044054
  H     14.38812690     15.66827741    -12.62657337
  O     15.84292455     10.69631140     -8.89757552
  H     16.88326711      9.09846840    -15.61838380
  H     13.46881335     14.93796429    -11.60853803
  O     17.85644102     14.62404424    -11.41185069
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  H     11.98350139      6.60965854    -13.56366317
  O     17.26815005     10.41912023    -12.74838644
  H     18.95718614     12.36818635    -16.64365590
  H     12.93804752      7.56061014    -14.32458000
  O     13.48716665     15.35837496    -12.47697691
  H     17.95076353     11.52726811    -15.82844256
  H     15.23469496     13.63884696     -9.94463260
  O     12.68489484      7.24308993    -13.43874791
  H     13.41115113     11.23796328    -14.43663729
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  H     12.53821577     12.38962579    -13.85887363
  H     16.05508388     13.48369587    -14.14614407
  O     16.33890801     14.03641642    -14.89269128
  H     14.83900740     13.79095426    -15.98198555
  H     17.08307939     13.58241962    -15.30518146
          69
 Energy    -249.69495239010382     
  O     15.83313755     10.99916945    -15.50740121
  H     15.31720349     10.46518722    -16.10647495
  H     18.28653657     12.38089155    -15.58583008
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  H     19.97638360     11.43001217    -10.22651871
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  H     15.77188333     16.39221049    -15.92255587
  H     19.49745089     11.36028560     -8.75760028
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  H     21.53484718     10.61275037    -16.81481009
  H     20.10305190     19.32234468    -12.46523611
  O     21.15114468     10.97886386    -11.39523307
  H     21.09137100     11.64282982    -15.74946124
  H     22.74204976     14.30358634    -12.20347736
  O     16.86685948     11.27225564    -10.94913896
  H     19.80978814     13.55353237    -10.03771733
  H     21.39268592     13.83852955    -11.60640972
  O     20.26210976     15.46744680    -15.64806726
  H     19.22379079     14.56121068    -11.04393845
  H     17.24473079     10.46875204    -12.46739829
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  H     14.47675113     13.85768515    -11.16463107
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  H     21.67916080     11.72874642    -11.69073099
  H     21.62244776     16.57413653    -14.97150140
  O     19.33622051     11.79880384     -9.58900251
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  O     22.13186251     13.55676072    -12.16444278
  H     19.72837289     15.20794823    -16.41226702
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  H     19.63744703     15.84988836    -15.01710923
  H     23.11329884     16.37255040    -13.13708067
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  H     20.82557401     16.04987478    -10.57364165
  H     24.45618736     16.24075711    -12.37814448
  O     22.14290302     17.13166437    -14.37827514
  H     22.11981195     16.59451870    -11.21287066
  H     19.32149052      9.65843525    -13.56729089
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  H     21.00818243     13.92624991    -15.08219676
  H     20.46787041      9.90831821    -14.56945376
  O     23.54249283     15.96993709    -12.36062702
  H     21.68707691     13.21952355    -13.86140123
  H     18.40550077     11.84908613    -13.55730089
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  H     19.61007374     12.75285439    -13.99838971
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  H     16.93800115     14.45279856    -11.81164004
          69
 Energy    -249.69464777993983     
  O     19.03880188      7.44059451    -14.36838182
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  H     14.66304058     10.32190956    -10.38337981
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  H     12.75114376      5.26239022    -15.34160538
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  H     18.14854713      4.21293244    -13.34146959
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  H     13.46540762     10.52050411    -14.00648723
  H     17.06817832      5.29654172    -13.11338922
  O     18.30580310      8.95095005    -16.50851859
  H     14.18207097      9.27326979    -13.46586653
  H     13.75850556     12.21318375    -16.01839681
  O     15.89261597      5.02212084    -15.95247999
  H     12.31453393      8.74895534    -10.11011592
  H     14.95459365     11.32177379    -15.61980796
  O     16.32088694     11.22187964    -10.42272969
  H     11.97463424      7.27385839     -9.82729002
  H     16.97495505     11.08022392    -14.58250593
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  H     16.89685811      8.15571054     -9.63010364
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  H     12.61284434      6.23226560    -12.65181046
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  H     14.52728104      6.70211421     -9.58930496
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          69
 Energy    -249.69440770514100     
  O      0.56162479      0.44634060      2.50437156
  H     -0.26044433     -0.03646293      2.34170083
  H     -3.09666194     -2.16265978      4.97605503
  O      2.22652644      3.57039829      4.79208559
  H      0.32316099      1.34809970      2.76388606
  H     -3.95091834      1.17711063      0.36594055
  O     -0.51362782     -3.53879065      6.96693682
  H      1.92199783      3.39295608      5.69028340
  H     -3.20165361      1.85055582      1.54032633
  O      1.82122957      0.45508600      8.29642177
  H      2.98072933      2.98760223      4.64129574
  H     -4.72511403      3.74749093      5.12331230
  O      1.24666463     -3.21571459      4.83136700
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  H     -4.30551180      2.37042141      4.55591985
  O     -1.86047858     -0.90244098      2.35196897
  H     -0.35436968     -2.84142525      7.61197504
  H     -1.56915003      1.68956049      6.28964613
  O     -0.78973023     -3.46419578      3.02797187
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  O      3.27930686     -0.22053102      2.53338398
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  H     -4.32716455      0.07763025      4.24477378
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  H     -3.09469662      3.44040579      3.12948603
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  H     -1.88375915     -3.80929972      5.92383978
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  H     -0.62462596      2.75978924      4.37381336
  O     -0.12241084      2.90537180      3.56103194
  H      3.63739673     -1.66236923      3.44880077
  H     -0.65723188     -0.18113319      6.08978091
  O     -1.43177429     -0.03730557      6.65988512
  H     -2.61472102     -0.79793542      5.52855903
  H     -1.20926692     -0.44406671      7.50441978
          69
 Energy    -249.69419621592871     
  O     12.34947144      9.43338131    -17.19169248
  H     11.79262925      9.62693681    -16.42298691
  H     17.72025037      7.96714239    -15.06059491
  O     14.92446016      8.18978428    -11.61394440
  H     12.99157633     10.14907110    -17.25063559
  H     15.79784826      8.90840863    -14.66499199
  O     16.43946224     11.98405728    -12.62358361
  H     14.96743237      8.50622819    -12.52992905
  H     14.35800182      8.30081619    -14.53567090
  O     13.37469890      6.73715594    -14.73882276
  H     15.54115282      8.74435581    -11.11968340
  H     10.86503816      9.10765372    -14.37667038
  O     12.42097879     13.42772717    -10.78983987
  H     15.70886567     11.94493513    -13.25609676
  H     11.18709196     10.60680986    -14.25875243
  O     12.34929077      9.17211881    -11.40786608
  H     17.23637973     11.73958915    -13.11024238
  H     15.32944577     11.39566765     -7.57777761
  O     14.32816354     11.62977377    -14.43128548
  H     13.49331842      6.67688012    -15.69492086
  H     14.33250676     11.15842023     -8.73727214
  O     15.43051624      5.86507676    -13.15886872
  H     14.09515381      6.27449729    -14.28248422
  H     10.53407583      6.78377079    -13.29104706
  O     12.68171640     10.99275243     -9.27859188
  H     12.07377957     14.28368347    -10.55466830
  H     11.91865081      7.18988507    -13.84630268
  O     18.12313893      6.65367417    -13.77094589
  H     13.39162828     13.49339715    -10.74008467
  H     18.21968473     10.21045186    -14.62430266
  O     18.63935446      8.76184293    -12.11974845
  H     11.82451276      8.57970236    -11.95946025
  H     19.33725038     11.27804662    -14.55301829
  O     17.48349900      8.82961429    -15.42397405
  H     13.24245268      8.79851296    -11.38886509
  H     16.56431851     10.72143462    -11.27212585
  O     14.93453218      9.01960720    -14.24769721
  H     13.50524801     11.75634001    -13.94074001
  H     16.28875502     10.44041559     -9.77440568
  O     10.91628327      9.92538437    -14.88596536
  H     14.51961684     10.67801831    -14.37373808
  H     15.28533334     12.80457703     -9.79634731
  O     15.26526218     11.34616537     -8.52749208
  H     15.24825112      6.49006569    -12.44345831
  H     15.65419062     13.04083752    -11.27552757
  O     11.14724159      7.51207395    -13.34893198
  H     16.35034321      6.02303896    -13.40227699
  H     15.18019043      8.15704841    -17.63039202
  O     18.61511022     10.89768263    -14.05953021
  H     12.46770870     10.29390432     -9.91073229
  H     15.46031583      9.67156529    -17.53103418
  O     16.67849697     10.06208168    -10.57203835
  H     12.44320235     11.82308483     -9.70888342
  H     12.07539817     12.28562325    -12.21178455
  O     15.12812378     13.39249762    -10.54568295
  H     18.85239637      6.03964456    -13.74030992
  H     12.19218531     10.74898086    -12.35437931
  O     15.89041135      8.80925107    -17.60049843
  H     18.31251765      7.34482315    -13.11040335
  H     14.56499523     12.14612092    -17.63393207
  O     12.06360377     11.56749337    -12.85596544
  H     18.04649650      9.10103164    -11.43658443
  H     14.45787413     11.53384121    -16.22061099
  O     14.51633244     11.31631277    -17.16553370
  H     18.80522934      9.51212396    -12.70303170
  H     13.25896662      6.61152176    -18.25367664
  O     13.59478861      7.08422607    -17.49712774
  H     17.03768432      8.72577013    -16.27896229
  H     13.07300928      7.90700649    -17.42219526
          69
 Energy    -249.69364693009379     
  O      0.62572040      2.41499286     -0.11743774
  H      1.31756813      2.76417966     -0.67304325
  H     -2.52026857      3.60089583     -0.71180014
  O     -1.28780082     -0.25376537      2.80532577
  H     -0.21891428      2.73806176     -0.48276435
  H     -4.16304467      5.45255206     -0.20796452
  O     -4.79495906      0.74915552     -0.11896567
  H     -0.78904522      0.21649659      3.48376090
  H     -4.67531341      4.12077313      0.38650026
  O     -2.46924779     -2.09254973     -2.88226202
  H     -2.01235867      0.34005021      2.54484133
  H     -6.16821321      1.69924554      3.79825445
  O     -0.35262083     -0.19696493      0.18999702
  H     -5.03728419     -0.13449405      0.19030805
  H     -7.58948304      2.29939663      3.79207259
  O     -5.05268411     -1.72745992      4.75886602
  H     -4.03830514      0.64066995     -0.71060723
  H     -1.65035935      3.93442717      2.49615448
  O     -6.94398824     -1.01724317      2.96042630
  H     -1.75122321     -2.36425823     -2.28096376
  H     -2.98930077      4.39938982      1.82420515
  O     -2.47019115      2.81219124      5.17621324
  H     -2.22836489     -2.39259744     -3.75451687
  H     -5.71130817      2.24566872      0.30571970
  O     -2.47975380      0.39525249     -1.56341053
  H     -0.60324232     -0.26666954      1.12112737
  H     -6.36615157      2.76134616      1.59628190
  O     -5.21033328     -1.76900245      0.90918733
  H      0.11271983      0.64267220      0.08586267
  H     -3.70898521     -2.20388641      3.53624489
  O     -2.22984135     -4.15010940      0.90653680
  H     -5.79743536     -1.53242221      4.15986045
  H     -2.42480083     -1.65090051      2.84826704
  O     -1.79260911      3.10368143     -1.10175566
  H     -5.40311301     -2.25135146      5.47423021
  H      0.34409663      3.04695364      1.63479158
  O     -3.87219793      4.63332269      0.18427901
  H     -6.50955455     -1.29118396      2.13966401
  H      0.15731701      2.75735978      3.14866222
  O     -6.93552966      1.88491482      3.23311430
  H     -7.06928953     -0.06315995      2.90774671
  H     -0.94844736      1.97762479      4.90773226
  O     -2.61071936      4.01000015      2.62052301
  H     -2.58187900      3.39405295      4.41115359
  H      0.45149113      1.53148366      5.39003711
  O     -6.00025014      3.05468312      0.75480409
  H     -3.25850981      2.25570997      5.19817023
  H     -4.72132831      0.14753359      4.80166204
  O     -3.12231382     -2.31893323      2.77854845
  H     -1.78296956      0.17883716     -0.92708223
  H     -4.18165428      1.14055935      3.73980706
  O      0.05147096      3.43332605      2.46921984
  H     -2.55216186     -0.36687112     -2.15056602
  H     -3.75652800     -2.98309826     -1.74846442
  O     -0.13202813      1.52011931      4.63620971
  H     -5.03718975     -2.36334782      0.16459417
  H     -3.57101587     -3.80749311     -0.46234660
  O     -4.64589772      1.08535716      4.59158105
  H     -4.48291950     -1.89916377      1.53095357
  H     -1.06903118     -3.24933894     -0.31174724
  O     -4.24222140     -3.42419061     -1.04107847
  H     -2.53185133     -3.56242193      1.61791715
  H     -0.38865616     -1.88497459     -0.57341750
  O     -0.63131811     -2.72276902     -0.99192622
  H     -2.07512076     -5.00313990      1.30538291
  H     -3.86635836      1.24276538      1.38347424
  O     -3.35061653      1.37332977      2.18751047
  H     -2.14977502      2.25916340     -1.40643966
  H     -3.10887553      2.30697081      2.26233169
          69
 Energy    -249.69327902847027     
  O     13.99387243      9.86852944    -11.54819666
  H     14.23087159     10.50037275    -12.24327164
  H     14.01571411      3.83521733    -14.94334127
  O     14.66278166     10.60848976    -17.34229728
  H     13.22697215      9.38053828    -11.87032398
  H     16.80766170      3.02080605    -10.06913335
  O     17.51140019     10.64386334    -13.60446471
  H     14.66651482     11.49767524    -16.96570743
  H     17.05766128      4.54029901     -9.91811729
  O     12.69372914      5.62834768    -12.64974973
  H     14.15643193     10.06397045    -16.72711865
  H     18.32220587      5.80773562    -13.51872482
  O     15.27101168      7.34790759     -8.36058196
  H     17.84066685     10.55661408    -12.70278440
  H     18.65470053      7.14106309    -14.24935543
  O     17.64092885     12.25343195    -15.91461089
  H     17.65952146      9.81269512    -14.07818551
  H     16.01126263     12.89186070    -15.94336314
  O     15.68528484      7.65741036    -12.08706894
  H     12.41258204      6.54442128    -12.75647487
  H     14.94585982     14.00078739    -16.12846544
  O     14.84600243     11.30699393    -13.74410054
  H     13.16178599      5.58870263    -11.80463082
  H     14.17245366      8.46107339    -15.07400893
  O     18.31307167      7.61490047    -11.13937130
  H     14.89213892      6.78681077     -9.05682798
  H     14.01310711      9.95011794    -14.64799564
  O     18.24105245     10.41158526    -10.89129677
  H     14.71279898      7.24352532     -7.59348303
  H     16.34654778     10.14900999    -17.59002298
  O     17.05371392      4.51098487    -13.20600263
  H     17.68587045     11.54998927    -16.57450168
  H     17.52178172      9.82731262    -18.54375100
  O     14.42769259      4.53917415    -14.45015414
  H     17.75194228     11.81220520    -15.06114240
  H     11.07045552      8.65052468    -13.09715395
  O     16.57568095      3.86963777    -10.43558049
  H     16.58861829      7.67322442    -11.74247666
  H     12.44403263      8.68058553    -13.80356480
  O     18.93738417      6.55706212    -13.53601574
  H     15.23549598      8.47265648    -11.83454814
  H     15.09027059      4.98665938    -10.46533528
  O     15.05426119     13.07692256    -15.92148367
  H     15.78475946     11.07336596    -13.67397277
  H     14.90366753      6.37946993    -11.11778462
  O     13.56725174      9.21863720    -15.10048468
  H     14.78846513     12.02296656    -14.38745677
  H     16.97885620      6.41862722     -8.63669351
  O     17.30450760      9.97918858    -17.62782992
  H     18.50515886      8.55618090    -11.07507977
  H     18.02937591      6.50411747     -9.75673296
  O     11.98818388      8.41118533    -12.98840118
  H     18.66958212      7.26841865    -11.97375220
  H     15.48423632      7.29243191    -13.80264364
  O     14.49499464      5.74712850    -10.50398392
  H     18.79347692     11.00395372    -10.38814960
  H     15.05157322      6.23823201    -14.84900286
  O     17.68670974      5.92153581     -9.06131762
  H     17.43164728     10.26667605    -10.36829650
  H     15.16587249     10.01118985    -10.11600325
  O     15.33218526      7.15515120    -14.75222608
  H     16.18952841      4.43616047    -13.62521004
  H     15.77725599      9.05119742     -9.07887803
  O     15.93791120      9.87806470     -9.54918721
  H     16.92790605      4.24426539    -12.28765775
  H     17.67161137      8.89085179    -16.14468793
  O     17.71292414      8.43628588    -15.29479779
  H     13.76052026      4.87314065    -13.82452863
  H     16.88589452      7.94003911    -15.20341785
          69
 Ord_Energy   -249.692764    
 O    1.02411151       11.9104137      -9.33643246    
 H    1.23547447       12.8534031      -9.34002686    
 H   0.109497547       11.8318949      -9.63820553    
 O  -0.734889746       8.58647442      -8.03459549    
 H    3.25746983E-02   9.05873203      -7.67944527    
 H   -1.46335065       9.21001625      -8.14064121    
 O   -3.28174758       7.64947891      -10.1681776    
 H   -2.73562694       7.02063894      -9.68052101    
 H   -3.24023056       8.48429585      -9.68727493    
 O    3.09540224       8.58731365      -10.8618717    
 H    3.26142263       8.20662498      -9.98986912    
 H    3.36570692       7.95193863      -11.5371151    
 O   -1.36301887       9.99584770      -12.3793640    
 H  -0.765644372       9.51474190      -11.7817965    
 H   -2.01898003       9.35622025      -12.6783304    
 O    2.57143664       11.1774998      -11.5365105    
 H    2.92592955       10.2987242      -11.3468971    
 H    2.02491546       11.4148369      -10.7737341    
 O   -1.50415444       6.05643845      -8.54446030    
 H   -1.20748162       6.93062449      -8.23118877    
 H   -1.81666124       5.58146763      -7.77748013    
 O    1.54591548       8.15920448      -14.2472429    
 H    1.34145391       9.09986305      -14.2112360    
 H   0.790862381       7.69201088      -13.8641081    
 O    1.33982646       5.70403481      -9.06574631    
 H   0.386769652       5.69719172      -8.93610001    
 H    1.49138212       5.42819262      -9.98248672    
 O    1.59638596       14.6287060      -9.83269215    
 H    2.13036561       14.4510117      -10.6281061    
 H    2.00236130       15.3656273      -9.38506699    
 O   0.621337891       13.6794815      -13.9119453    
 H   0.470832348       13.9803028      -14.8045998    
 H   0.683752537       12.7107639      -13.9520197    
 O   -3.05620670       7.79203463      -12.8556042    
 H   -3.20537090       7.70210981      -11.8962412    
 H   -3.87229824       7.55578089      -13.2869015    
 O    1.68168533       5.13927221      -11.7533398    
 H    2.41825151       5.58696556      -12.1853533    
 H   0.887864590       5.48984432      -12.1789370    
 O    1.55728817       9.87217426      -7.42575169    
 H    1.52559698       10.5908213      -8.07194805    
 H    2.19687557       9.21827030      -7.73280287    
 O    3.11005878       7.58260012      -8.28852081    
 H    2.46225095       6.88787889      -8.51056576    
 H    3.74841738       7.18444777      -7.70305443    
 O   0.863909841       10.9348440      -13.7150564    
 H    1.49230778       10.9879932      -12.9781303    
 H    1.73620209E-02   10.6456947      -13.3440619    
 O    3.59143090       6.89010239      -13.0151672    
 H    4.31036186       6.68960524      -13.6077175    
 H    2.91207433       7.35173798      -13.5407658    
 O  -0.409326732       6.75601101      -12.7368994    
 H   -1.33956385       6.94369936      -12.9022818    
 H  -0.171944961       7.27275419      -11.9516182    
 O   -1.61674333       11.8674669      -10.3943567    
 H   -1.60258639       11.2681913      -11.1550236    
 H   -1.44650912       12.7578926      -10.7347221    
 O   0.268768251       8.56936359      -10.7199240    
 H   -5.06226998E-03   8.52738190      -9.79707146    
 H    1.23360538       8.58246899      -10.7504530    
 O  -0.759213448       14.2417383      -11.4381313    
 H   -3.39753293E-02   14.5203867      -10.8653440    
 H  -0.369018972       14.1091461      -12.3110533    
 O    2.85587025       13.8976269      -12.1239395    
 H    2.19424033       13.9624052      -12.8237448    
 H    2.97144604       12.9487934      -11.9704161    
 O   -2.93815517       10.1653347      -8.73277378    
 H   -3.60548973       10.6105833      -8.21673965    
 H   -2.52327180       10.8416529      -9.29519844    
          69
 Energy    -249.69273639255908     
  O     13.27109109     12.24312165    -14.64036160
  H     13.13250177     11.54319040    -15.29348089
  H     12.16230925      6.63708367    -15.78160981
  O     14.30567080      6.59676874    -13.59868704
  H     14.19741749     12.50037324    -14.71600616
  H     16.48304596     11.58354741    -16.31554276
  O     18.03141286      8.72166573    -12.48241771
  H     13.80912880      6.17364669    -14.30644371
  H     17.30824233     10.30120677    -16.48861696
  O     17.82007154      8.99079844    -15.29363470
  H     14.60732254      7.44979757    -13.95480978
  H     15.35269716      9.68525500    -13.91113763
  O     11.11928895      8.10123710    -15.50640079
  H     17.66827810      7.84739941    -12.68829352
  H     14.40747372      9.41447044    -15.12102870
  O     15.81458704      9.15937337     -8.95760859
  H     18.28234784      8.69787893    -11.55093536
  H     12.50596740     11.88670343    -13.14022230
  O     13.24362042      7.64254966    -11.30539780
  H     18.18055625      9.01050853    -14.39922571
  H     11.50039781     12.32174674    -12.04662721
  O     16.21215152     10.80250744    -12.71385867
  H     16.86484988      8.87045116    -15.17355590
  H     17.63612326      6.71613310    -10.05531205
  O     15.27330395      6.63235873    -17.22242617
  H     11.19419844      8.37721818    -14.57358485
  H     17.11288141      5.89035077    -11.24991014
  O     14.67084981      6.53380906     -9.15927654
  H     10.20515015      8.21581589    -15.75301155
  H     11.51784879      9.85571856    -12.75062590
  O     17.63562820      6.19046695    -15.75504249
  H     15.25732054      9.69428368     -9.53688381
  H     11.88283098      8.41911068    -12.32592738
  O     12.79542190      5.90919927    -15.88196377
  H     15.36920593      8.30581267     -8.88205762
  H     16.03868910      6.20465681    -13.17328948
  O     16.73531368     10.91865757    -16.96615024
  H     13.61809232      7.20344628    -10.53218156
  H     17.33745195      6.03607338    -13.97608189
  O     15.07651280      9.01740265    -14.55125330
  H     13.61539797      7.20306315    -12.08537507
  H     17.47164296      8.80564893     -9.40588675
  O     12.08451901     11.61405088    -12.30500159
  H     16.89526996     10.12920340    -12.58393385
  H     18.97371812      8.73848281     -9.03785463
  O     17.06689680      5.97269202    -10.28725024
  H     15.53707003     10.67617221    -12.03275546
  H     15.02694263      9.43256460    -19.18520716
  O     11.36238828      8.92734100    -12.96169165
  H     14.42647595      6.39110741    -16.83167983
  H     15.59566094      9.92815426    -17.83603210
  O     16.99994603      6.17001702    -13.07817262
  H     15.16409702      7.52300776    -17.57439092
  H     13.86097433      9.34203830    -11.10058909
  O     18.34314237      8.49392209     -9.70945839
  H     14.46902798      5.89548546     -8.48071161
  H     13.44096575     10.81653760    -11.30498328
  O     14.92625917      9.34694674    -18.24076656
  H     15.50963149      6.25309924     -9.56875607
  H     16.20680505     12.03894423    -13.98480851
  O     14.15114508     10.25691777    -10.96764765
  H     16.83610324      6.20692972    -16.30048332
  H     16.59947692     13.42305776    -14.54885082
  O     16.08382553     12.64269853    -14.73766440
  H     17.94045745      7.10603682    -15.74589656
  H     13.59247347      9.76283874    -17.06393898
  O     13.08229943     10.00289607    -16.27800868
  H     12.29564607      5.13976318    -16.14507458
  H     12.38698613      9.34791445    -16.14721257
          69
 Energy    -249.69241550702347     
  O     19.62719582     11.06574953     -8.53661335
  H     19.48237814     11.76793156     -7.90890560
  H     21.32512196     10.32905052     -9.08962357
  O     18.19698902      5.64977577    -10.08555628
  H     19.27263330     10.25012928     -8.13708954
  H     18.67698834      9.26120635    -15.87603955
  O     19.22433746      4.25419695    -13.62915700
  H     18.67164896      6.37852487    -10.52028394
  H     19.28104790      9.42800310    -14.46043512
  O     20.26762788      6.82174805    -13.92393252
  H     18.86422891      5.12982025     -9.62329775
  H     20.68145192      4.31635368    -12.24579812
  O     20.90822028      7.26535166     -8.84315821
  H     19.09192012      3.46678530    -14.15086065
  H     21.88778592      5.19852437    -11.82774363
  O     16.93842836      5.19492803    -12.47075591
  H     18.35772857      4.49666173    -13.26119883
  H     13.46885303      7.84392159    -14.51308334
  O     22.64110838      6.71286023    -12.52315426
  H     19.73790511      7.42700722    -14.45433482
  H     14.77701606      7.78322909    -13.69114991
  O     13.87988209      6.67415285     -9.42481323
  H     19.87485822      5.94083279    -13.97584954
  H     15.28542451      9.37668021    -11.06972172
  O     19.58258981      7.67958309    -11.26749801
  H     20.91300048      6.30774856     -8.73741480
  H     16.41140896      8.78192487    -11.94911945
  O     18.74693287      8.67357244     -7.65187252
  H     20.57337992      7.42853539     -9.73853363
  H     17.29009865      8.15148888    -14.03962406
  O     18.76276758     10.38286235    -11.10640770
  H     15.98131470      5.13361830    -12.33677775
  H     16.81778403      6.90921152    -13.19960006
  O     22.04036567      9.76375625     -9.40323113
  H     17.34048375      5.26943891    -11.59237808
  H     23.55494740     10.01443732    -12.15820401
  O     18.69910416      8.86757981    -15.00824553
  H     21.93904522      6.75479424    -13.18898908
  H     22.49683529      9.66728050    -11.09109291
  O     21.33373854      4.45259997    -11.55184510
  H     22.78337870      7.63068106    -12.26743526
  H     17.03631473      6.77230565     -9.29763967
  O     13.81076591      7.69589605    -13.63511437
  H     14.77822500      6.93692075     -9.16438866
  H     16.45469131      8.15831577     -9.70509412
  O     16.24601308      9.28341473    -11.13892348
  H     13.43093839      6.40756046     -8.62642547
  H     13.44359035      8.62018604    -11.97928125
  O     16.57515184      7.79689537    -13.49738485
  H     19.35002023      8.61619761    -11.25408091
  H     13.46932510      8.24537873    -10.48685827
  O     22.72345574      9.56345701    -12.03169881
  H     19.92042201      7.46000083    -12.14325219
  H     19.75102239     10.49924024    -12.61491668
  O     16.47783554      7.50250095     -8.99232864
  H     17.92650269      8.28140670     -7.97135284
  H     21.16245520     10.03776701    -13.02842480
  O     13.50951181      8.99665112    -11.09224861
  H     19.46590273      8.09646114     -7.94363840
  H     20.86105073      4.40077473     -9.91071318
  O     20.30037881     10.28571312    -13.38351798
  H     19.02983248     10.71601723    -10.24087705
  H     20.81874270      3.69314455     -8.53232018
  O     20.50608249      4.45981101     -9.00316721
  H     17.82278166     10.15787913    -11.06358313
  H     14.08537659      5.73762696    -11.08191235
  O     14.25756890      5.40488348    -11.97176720
  H     21.83681498      8.87969758     -9.06849970
  H     13.94334341      6.09177915    -12.57246487
          69
 Energy    -249.69195236509540     
  O     20.09425210     10.73464804    -10.32750554
  H     19.69322019     10.72529578     -9.44927173
  H     17.94756206     10.03862405     -8.23816960
  O     18.55665856      6.99569442     -9.38674239
  H     21.05379902     10.76658096    -10.21977435
  H     19.02868305     11.02081931    -13.28564816
  O     20.09803475      4.53544586    -11.68904905
  H     19.11644304      7.33474575    -10.10281053
  H     19.01659813     11.18161460    -11.75737498
  O     20.66387165      5.64740476    -14.28674958
  H     17.88079627      7.66875204     -9.22762393
  H     22.81108722      9.53157978     -9.82948897
  O     22.54555605      8.00071704     -9.09832593
  H     20.22045313      4.79299317    -12.61035783
  H     23.59988276     10.86291710     -9.81636565
  O     17.40596755      5.19273484    -11.08531744
  H     19.15459823      4.62375336    -11.50425029
  H     19.37427855      8.02082759    -13.10052899
  O     22.42503936      7.08327256    -12.58362775
  H     20.09752904      6.43650517    -14.32733211
  H     19.51360414      8.77627044    -14.43291363
  O     20.31477634      8.13083519     -7.48231860
  H     20.66048620      5.25769565    -15.15707770
  H     13.74254336      7.48543895    -12.31024602
  O     14.41617853      7.62941297     -9.08862995
  H     22.50747606      7.10635891     -9.45178767
  H     14.93218189      6.76673733    -12.97069341
  O     22.30621684      5.41317196    -10.34487688
  H     21.82514179      8.06233471     -8.45251409
  H     16.52694686      8.71657224    -12.23115157
  O     19.99298368      8.15549652    -11.43619964
  H     17.78206010      5.75410845    -10.38874274
  H     17.03507098     10.19159765    -12.11820998
  O     18.71999084     10.50931670     -7.87910235
  H     16.49571870      5.00492805    -10.82671674
  H     17.05746083      6.41859318    -12.41754082
  O     18.44425985     11.18568830    -12.53754574
  H     21.95722285      6.55607439    -13.24384034
  H     17.53321693      7.33869752    -13.58364072
  O     22.86531472     10.41917090    -10.23085956
  H     22.59182001      6.49545135    -11.83538699
  H     22.62431846      8.87658800    -12.96398173
  O     19.19989137      7.94685019    -14.05393491
  H     19.85557466      8.97731754     -7.44559284
  H     22.69646774     10.15691579    -12.12195640
  O     14.03682891      6.62408739    -12.63154258
  H     19.73595155      7.55910416     -8.00470369
  H     15.92032946      8.58699663     -8.89839514
  O     16.36396115      9.56854533    -11.80385373
  H     14.00662014      8.13793166     -9.80065360
  H     16.66905831      9.33778688    -10.02377096
  O     16.76762692      7.09083116    -13.05098693
  H     14.50056022      6.72912544     -9.42415436
  H     14.59048676      9.43852037    -11.57355095
  O     22.51071978      9.83624515    -13.01206430
  H     21.47924183      5.07326481    -10.73037415
  H     13.13454601      9.95509767    -11.54426679
  O     16.72526564      9.08983534     -9.09001116
  H     22.76174760      4.66015849     -9.97731611
  H     20.64091287     10.99565778    -15.28717579
  O     13.66891572      9.17774139    -11.40468733
  H     20.88648094      7.87065756    -11.66142466
  H     21.14613198     10.27101914    -14.01830810
  O     20.35823196     10.43990099    -14.56610164
  H     20.04561855      9.05549876    -11.08700484
  H     14.35130906      5.56109556    -11.26604950
  O     14.64398080      5.08462372    -10.46846627
  H     18.38674888     11.13755725     -7.24369304
  H     14.03840372      4.35838970    -10.34409664
          69
 Ord_Energy   -249.691681    
 O   -2.14166951      -2.48415422     -0.309485555    
 H   -1.32803774      -2.69717574     -0.780362070    
 H   -2.04316950      -1.55634081      -4.31042500E-02
 O   -5.29982185      -7.04174563E-02   2.37036490    
 H   -5.83937454     -0.776025414       1.99641454    
 H   -4.54659700     -0.504188597       2.79724407    
 O   0.208955854      -2.43508506      -1.91546977    
 H  -0.305903643      -1.90037370      -2.54721165    
 H   0.646945179      -3.11111975      -2.42608380    
 O   -4.84076834       2.18295598       4.02259684    
 H   -5.18998098       1.48578131       3.45002556    
 H   -4.27022839       2.72537637       3.46597528    
 O   -1.79931319      0.140103906      0.395984769    
 H   -1.18586457      0.653740168     -0.144400895    
 H   -2.63427877      0.623574197      0.416149408    
 O   -6.44821453      -2.40493250       1.23862982    
 H   -7.06179714      -3.00306463       1.65728855    
 H   -5.55612803      -2.77141213       1.38584602    
 O   -1.37506175     -0.953582942      -3.54417539    
 H   -1.35805500       8.04890972E-03  -3.59689641    
 H   -2.28047204      -1.18955660      -3.29693818    
 O   -3.95352817       1.29021120      -2.23300433    
 H   -4.11962938       1.51955569      -1.30945504    
 H   -3.97708201      0.324522108      -2.27700663    
 O    2.00661683      -8.09938535E-02   2.16576838    
 H    1.90251780     -0.210662633       1.20514703    
 H    2.86220050     -0.429353297       2.40021372    
 O   -2.67957807       3.18203545       2.32402158    
 H   -2.19522095       2.67731786       2.99362969    
 H   -2.00155759       3.56762862       1.75678337    
 O   -6.47386122      -1.78544664      -1.50647235    
 H   -7.16311169      -1.14184189      -1.65772188    
 H   -6.51325226      -2.00293851     -0.563822210    
 O  -0.680052459     -0.593962133       2.77098536    
 H   0.278005600     -0.576955855       2.66316295    
 H   -1.05628419     -0.328519464       1.91662657    
 O   -3.37331319      0.702207446       5.76843834    
 H   -3.95817256       1.27069056       5.23552084    
 H   -3.67288995      0.766447067       6.67106199    
 O   -3.85188413      -1.53269172      -2.34219527    
 H   -3.34194851      -1.95077026      -1.63565552    
 H   -4.78453636      -1.69778550      -2.14723992    
 O    1.00911117       2.56241298       2.70340776    
 H   0.355378717       2.38553548       3.39294243    
 H    1.43757319       1.71785593       2.51785231    
 O   -3.92864108      -3.21205878       1.73930919    
 H   -3.61188197      -2.72799778       2.51180458    
 H   -3.27281213      -3.08306575       1.04052019    
 O   -3.16607189      -1.31728065       3.74406695    
 H   -2.25629687      -1.18500495       3.43961453    
 H   -3.25752854     -0.787125528       4.54493284    
 O    1.55810094     -0.365834385     -0.471817315    
 H    1.15391278      -1.10783684     -0.936681449    
 H    1.10037303      0.429690957     -0.777013004    
 O  -0.354550511       3.91167450      0.793696046    
 H   0.196732596       3.46520329       1.46288407    
 H   -1.70367304E-02   4.79999590      0.709728360    
 O   -1.21375620       1.70270908       4.21843958    
 H   -1.00494111      0.889731944       3.73300266    
 H   -1.83633280       1.44417870       4.90693140    
 O   -1.61719251       1.92754841      -3.39084792    
 H   -2.49659872       1.77081048      -2.99824762    
 H   -1.74938321       2.48221111      -4.15434170    
 O   -4.13240814       1.63572359      0.530448854    
 H   -3.68287277       2.26223469       1.11476481    
 H   -4.64316368       1.03967166       1.09534776    
 O  -0.105209880       1.79718399      -1.06620705    
 H  -0.569629073       1.93684077      -1.90251935    
 H  -0.197794870       2.59297276     -0.527605295    
          69
 Energy    -249.69163324081302     
  O     -2.15338660      4.65296087      5.17079541
  H     -1.59298171      4.46893730      4.40470509
  H     -3.07564737     -4.45130554      0.89108701
  O      1.14372999      0.39552307      1.45281837
  H     -1.98094993      3.93608751      5.79330016
  H     -0.06105190      2.64707044     -0.49583660
  O     -1.84342901     -0.79229633      3.62594893
  H      0.95032897      0.89565265      0.64934276
  H      1.01053141      2.22050821     -1.52588913
  O     -3.50285641      1.63701853      0.34680570
  H      0.62997031     -0.41821318      1.39834697
  H     -5.25138274      5.37694888      5.23308965
  O     -3.72638339     -1.97811470     -1.04032602
  H     -1.35347819     -1.09675594      2.85016905
  H     -3.87725914      4.74015671      4.90982789
  O     -0.82674962     -1.67407651      1.20175184
  H     -1.21889770     -0.47636118      4.29544992
  H     -1.82136007      4.20922561      0.10085281
  O     -6.02895369     -0.17602800      4.44201291
  H     -3.25696088      1.69612936      1.28249323
  H     -0.76906188      3.97397413      1.20321648
  O     -6.65144991      1.60809566      2.24300192
  H     -3.61568818      2.54253426      0.03681913
  H     -5.18640697      4.34026523      2.95686309
  O     -2.04333233      2.23810822      6.72637593
  H     -3.00278466     -1.35930331     -1.20396320
  H     -5.84435815      3.24303992      2.08661417
  O     -1.67565388     -0.00643025     -0.86473146
  H     -4.44078401     -1.45280472     -0.65472396
  H     -1.41092812      2.94347617      2.98028351
  O     -5.37614814     -0.34645431      0.59693218
  H     -1.11977617     -1.10688074      0.47201392
  H      0.10197409      3.13161094      3.25870240
  O     -3.04573178     -3.51811449      1.08403867
  H     -1.42138142     -2.43313129      1.19753152
  H     -4.30155630      4.34003460      0.70311468
  O      0.41214512      1.88015159     -0.86640298
  H     -5.46913501     -0.78117918      3.92802047
  H     -4.16911255      4.93289144     -0.71868244
  O     -4.83975506      4.63529223      4.79788808
  H     -6.68430394     -0.71658602      4.87679520
  H     -4.04124957     -2.46716905      2.35939511
  O     -0.89639317      3.97852390      0.24459469
  H     -6.41123719      0.98882451      1.54228307
  H     -3.48570097     -1.36648557      3.26691732
  O     -5.34015700      4.06873278      2.04606611
  H     -6.58409696      1.08834041      3.05081465
  H      1.39642478      1.35508106      2.86537561
  O     -0.70296841      3.60547614      3.01479085
  H     -2.20429069      2.14318255      7.66243027
  H      2.40724258      2.10227041      3.76797555
  O     -3.72263675      4.38279037     -0.08094923
  H     -2.88406750      2.04367334      6.27823808
  H      0.41293846      0.99492080      4.88665154
  O     -4.31362601     -1.71860705      2.90344977
  H     -2.33695589      0.57948383     -0.46451914
  H     -0.76513571      1.10707680      5.88492014
  O      1.47681412      1.93446456      3.64506560
  H     -0.91683305      0.55911221     -1.04984630
  H     -4.75842446      2.80057005      5.14905328
  O     -0.22302335      0.47626710      5.39540928
  H     -5.05161172     -0.80131490      1.38514382
  H     -5.01972442      1.24495143      5.07336487
  O     -4.37227803      1.92566813      5.29288995
  H     -4.76191766      0.38979698      0.44376254
  H     -3.35825631      1.89419461      3.69707995
  O     -2.73600664      1.71669825      2.98323243
  H     -3.30410117     -3.05420584      0.26678957
  H     -2.35186915      0.84862770      3.17148731
          69
 Energy    -249.69143516469228     
  O     12.92642335     12.49432714     -8.41046380
  H     12.82861530     12.64512541     -7.47445210
  H     11.05036027     13.22160126    -13.74116483
  O     11.55261326     10.21502944    -15.20006562
  H     13.38620831     13.27311056     -8.77529763
  H     15.87070127     13.40802198    -16.61313363
  O     14.64270497     10.51633093     -9.70153593
  H     11.78682467     10.33617403    -16.12844692
  H     16.88780988     13.64945356    -17.75591429
  O     17.86282968     13.32824140    -12.70567527
  H     11.21368235     11.06720801    -14.89084647
  H     12.93217357     13.37546729    -12.87192590
  O     11.32405219     12.11591820    -10.66651883
  H     14.11150997     11.09043406     -9.13511630
  H     12.60939399     14.78881994    -12.32950428
  O     12.48293945      9.60533537    -11.33536323
  H     14.00317205     10.00227955    -10.21036914
  H     12.18921510     12.65893920    -17.05934744
  O     13.81924643      9.64875793    -13.74723279
  H     18.78539552     13.53798472    -12.58751424
  H     11.42547978     13.31770775    -15.89853849
  O     13.77429216     16.18222411    -11.87334763
  H     17.80944358     12.72743448    -13.47021356
  H     14.14441862     11.41484702    -13.50697855
  O     10.31938569      8.95229204    -12.94003253
  H     11.75992749     12.24122387     -9.81436244
  H     14.80720127     12.46481766    -12.55580606
  O     14.61855984     13.96964513    -15.54084159
  H     11.64453479     12.81559049    -11.25438152
  H     17.40343776     12.15081699    -15.67992082
  O     15.11439716     10.57077586    -17.41640910
  H     11.74646786      9.17885411    -11.79812302
  H     17.20006655     10.85426467    -14.87250096
  O     10.49051163     12.66222854    -14.30025096
  H     12.15417105     10.48394209    -11.10168138
  H     12.21728244     10.60528728    -18.64199448
  O     16.56791665     12.98834165    -17.14839009
  H     13.47016154      9.54094927    -12.85200062
  H     13.41263527     10.75570961    -17.67092416
  O     12.20967247     13.94249056    -12.55810586
  H     13.05437126      9.78389036    -14.32641742
  H     15.34099685      9.35006731    -14.56186201
  O     12.10391412     13.48322644    -16.56369848
  H     14.55522530     15.93601460    -12.40071282
  H     16.47747923      8.39218469    -14.98590877
  O     14.27712591     12.35751870    -13.35810077
  H     13.66975344     17.12525402    -11.96607502
  H     15.59095859     11.79442336    -10.60699962
  O     17.64677357     11.70909616    -14.85689458
  H     10.65631255      9.19784193    -13.81136576
  H     16.61231893     12.70232933    -11.44413941
  O     12.45254922     10.89079195    -17.76338311
  H      9.75075293      9.68568757    -12.67399831
  H      8.26996097     11.59933792    -11.66619363
  O     16.15786120      9.28547262    -15.08553323
  H     14.57867460     13.35051993    -14.79517434
  H      9.80709965     11.66308330    -11.52322191
  O     15.73435868     12.64335138    -11.05036136
  H     13.74244957     13.94460480    -15.95105119
  H     16.55035817     14.75213280    -13.16492539
  O      9.08527365     11.43081118    -12.13190936
  H     15.48126405     10.04663584    -16.69479206
  H     15.47911924     15.03434900    -14.24352628
  O     15.86600286     15.37801460    -13.42676518
  H     15.63797943     11.38140189    -17.44623136
  H     14.04949554     15.18151640    -10.25244080
  O     14.27409588     14.49104826     -9.62017407
  H      9.83518343     12.28252883    -13.70293436
  H     14.87396819     13.89696281    -10.09747925
          69
 Energy    -249.69142045743507     
  O     13.41687756      3.14591071     -9.49245630
  H     13.70476893      2.24605657     -9.29658570
  H     15.23801274      8.24883618    -11.80282823
  O     12.00245091      2.48734465    -11.81166989
  H     14.17473830      3.57137839     -9.92559988
  H     13.77926770      6.69399363    -12.09469150
  O     16.26096340      2.92483726    -13.13773225
  H     12.45391821      2.73438165    -10.99234640
  H     13.92837664      5.85090961    -13.39053836
  O     16.71737764      5.48704105    -14.07184799
  H     11.48213724      3.25531702    -12.08076188
  H     11.83280501      6.06804185     -9.46413810
  O     11.75667614      8.58334455    -12.48659698
  H     15.39167310      2.72231164    -13.50870716
  H     12.73737870      4.87315627     -9.03038287
  O     12.51081904     -0.24290021    -11.39401407
  H     16.53939522      3.77203244    -13.51798805
  H     15.00335445     -0.29198873    -13.00939649
  O     14.35372796      0.47842569     -9.50990766
  H     16.86629875      6.20807110    -13.44904851
  H     14.61021112     -1.31721668    -14.10163263
  O     16.99630631      7.68586457    -12.19902281
  H     15.96151367      5.76131859    -14.60738410
  H      9.55029018      6.76859348    -10.38054562
  O     10.71010701      5.34459638    -15.27581886
  H     11.26675443      8.06432010    -11.83893682
  H     10.53093362      6.04770826    -11.33480078
  O     14.20560980      6.10624092    -15.19429550
  H     12.64600127      8.69268980    -12.12126959
  H     14.77662977      4.88084023    -11.43481226
  O     12.96631236      3.76192354    -16.11905623
  H     12.13914038      0.63252382    -11.57356597
  H     15.82699940      3.77002393    -11.58678972
  O     14.33836919      8.34094463    -11.46336340
  H     12.99194025     -0.49290780    -12.19200623
  H     13.84386199      1.19963311    -14.03264469
  O     13.64825884      5.81176991    -12.46654128
  H     14.47091768     -0.18192198     -8.83153817
  H     13.09713644      2.31093172    -13.25042205
  O     12.58672849      5.81952639     -8.91655298
  H     13.67318972      0.13759923    -10.11733086
  H     15.65866105      0.55842234    -11.00835988
  O     14.29614058     -0.55184076    -13.62883184
  H     17.03819782      7.24421495    -11.33131187
  H     16.33177114      1.28375071    -12.21200270
  O     10.46680263      6.72961034    -10.64342277
  H     17.78077012      8.22377040    -12.27138964
  H     11.95897963      5.23005431    -12.52834512
  O     15.39717056      4.33275123    -10.93081092
  H     11.07074548      6.24025856    -15.31324162
  H     10.77207776      5.03473717    -13.51593218
  O     13.65977226      2.14810677    -14.02136838
  H     11.38414276      4.76827415    -15.65684545
  H     14.36549548      8.20310101     -7.92038660
  O     16.09646532      0.41600617    -11.85552807
  H     13.53405136      6.79916820    -15.24587268
  H     13.81552103      7.01199098     -8.74031257
  O     11.03545262      4.93653506    -12.59054095
  H     13.82793925      5.31792281    -15.60705835
  H     16.12039177      6.87936291     -9.28716276
  O     14.49142947      7.71411170     -8.72876830
  H     13.06804827      3.27801793    -16.93484974
  H     16.41594017      5.60837861    -10.10158700
  O     16.80982887      6.44033703     -9.80024811
  H     13.19899492      3.15088934    -15.39957116
  H     11.89224726      8.14234264    -14.18013513
  O     12.01952115      7.89144296    -15.11189834
  H     14.38623172      8.22589000    -10.50431789
  H     11.81977653      8.66674738    -15.63028361
          69
 Ord_Energy   -249.690964    
 O    4.83759165      0.809176326       8.32266521    
 H    5.49470282      0.879410684       7.62106848    
 H    5.11105204       1.40076911       9.03499031    
 O    4.24428654      -1.69816637       9.47124863    
 H    4.78667402      -1.77105284       10.2645645    
 H    4.51655054     -0.867420971       9.04793453    
 O    5.44184542       2.50296044       10.4402008    
 H    4.90536404       3.23591256       10.1063147    
 H    4.89931870       2.00743771       11.0659838    
 O    5.77497244      -1.15026855       11.7720795    
 H    5.13929605     -0.438102096       11.9475718    
 H    6.03117418      -1.49988294       12.6222162    
 O    6.71152925      0.971543849       6.20927906    
 H    6.97637033       5.13792410E-02   6.32799149    
 H    5.98105049       1.02021575       5.57234955    
 O    1.94425619     -0.265269339       10.1129265    
 H    1.86539042      0.128807724       9.23235798    
 H    2.58273649     -0.981002271       9.99403286    
 O    5.38852453       4.66491127       7.01548290    
 H    6.25767136       4.25779343       7.11087751    
 H    5.00038338       4.72399902       7.89783859    
 O    1.82322919       3.42178202       7.55310535    
 H    2.25125027       3.69707942       6.73333788    
 H    1.87418401       2.45323730       7.55600882    
 O    3.45572925       3.88014889       5.30942822    
 H    4.19543982       4.17775393       5.87129068    
 H    3.39392257       4.50230837       4.58911085    
 O    7.33723497      -1.64011621       6.99844408    
 H    7.44965935      -1.37182379       7.92949104    
 H    8.08146667      -2.19605255       6.78379250    
 O    4.58789206      -2.37261295       6.78014517    
 H    5.53572750      -2.19470906       6.74456501    
 H    4.36986256      -2.36399817       7.72183132    
 O    2.75649381     -0.941656530       5.37859058    
 H    3.41626096      -1.49102092       5.83977795    
 H    2.28355336      -1.52034736       4.78698921    
 O   0.267795682       1.55513430       11.4684973    
 H   0.109243609       2.23822808       10.8048916    
 H   0.707552254      0.824233413       11.0137968    
 O    2.00825214       2.50761008       13.3102760    
 H    1.63332474       2.57049775       14.1846304    
 H    1.31002688       2.15581203       12.7271128    
 O    2.23262763      0.737510562       7.54980850    
 H    3.16839480      0.827059984       7.79861879    
 H    2.21746111      0.150229320       6.78529549    
 O    2.08119893       4.73997116       11.4585590    
 H    1.30940771       4.49575853       10.9319763    
 H    2.13816738       4.08050871       12.1596136    
 O    7.86332750       3.26359081       7.09264088    
 H    7.50361633       2.43695974       6.72415066    
 H    8.60959530       3.50516176       6.54953909    
 O    3.80580711       4.42986870       9.34516144    
 H    3.16048479       4.06197214       8.72776413    
 H    3.30370331       4.68496656       10.1328821    
 O    8.05209064       1.95150089       9.63719749    
 H    7.21924067       2.22390079       10.0479841    
 H    8.11272430       2.46424389       8.82336140    
 O    5.53033613E-02   3.75517154       9.64522076    
 H  -0.738083124       4.20865345       9.36997318    
 H   0.621206522       3.68729520       8.85897732    
 O    4.47831202       1.24670541       4.69129992    
 H    4.04334021       2.08790970       4.87595129    
 H    3.82863188      0.549181342       4.83897877    
 O    7.65390682     -0.777341962       9.54207993    
 H    7.10883522     -0.932411969       10.3188171    
 H    7.89020157      0.163078487       9.56810570    
 O    3.80107713      0.829065442       11.9703646    
 H    3.16764045      0.496437520       11.3190861    
 H    3.29916167       1.39965880       12.5662622    
          69
 Energy    -249.69095658694266     
  O      0.60647737      4.69102352      4.98042719
  H      0.79770055      4.02714060      5.65296449
  H     -2.50002306     -2.22263511      3.83891815
  O     -1.06662838      3.92202913      2.94419249
  H      1.38202839      4.71156741      4.40537064
  H     -1.68837147      0.07251230      1.14828796
  O      1.47416177      2.54009913      6.72348728
  H     -0.61943901      4.29786782      3.71649684
  H     -1.39678989      0.64769779      2.56332115
  O      0.11826640     -2.71634279      0.11704438
  H     -0.37887158      3.78844005      2.27927701
  H     -3.58927409      0.75166380      3.71673644
  O     -1.01587555      0.81612751     -1.80912422
  H      1.86481593      2.69154861      7.57991807
  H     -4.58700414      0.73809381      2.55049000
  O     -2.95930607     -0.17662625     -0.19519999
  H      2.20933945      2.43720384      6.09080571
  H      0.86699234      0.32488718      4.70407812
  O     -1.96243941      1.55482783      4.03166144
  H     -0.83876768     -2.83879320      0.13703780
  H      0.54189870      1.10870470      5.99578193
  O     -4.70170757      1.62272290      0.84730996
  H      0.38067470     -2.66677891      1.04605934
  H     -0.04053804     -2.30169555      3.63064908
  O     -0.81394028      3.61855094     -1.12470654
  H     -0.17583127      0.34941939     -1.72580523
  H     -0.13588798     -1.32567214      2.44405991
  O      1.33283237     -0.75193404     -1.30841636
  H     -0.84926466      1.74509974     -1.60869304
  H     -3.25400600     -3.62696335      0.30358657
  O     -1.07682322     -2.05804585      5.21224762
  H     -2.31958421      0.11266848     -0.86505930
  H     -2.83608052     -2.67983277      1.45225558
  O     -3.11310573     -2.22206487      3.09824255
  H     -2.92143965     -1.13650855     -0.10504132
  H      3.08441200      1.40432476      4.29110126
  O     -0.99950352      0.18925382      1.81221359
  H     -1.25668300      1.23393651      4.60648226
  H      3.20633143      2.93914226      4.11655333
  O     -4.32211994      0.24690259      3.33628864
  H     -1.69813284      2.42648796      3.70476489
  H      0.54824477      0.73592943      1.20658660
  O      0.20342348      0.42767972      5.40061024
  H     -4.12927270      0.95796885      0.42432450
  H      1.59663711      0.41385238      0.11739513
  O      0.40347720     -2.04313194      2.81527062
  H     -5.51803799      1.63699796      0.35371829
  H      1.79399111     -0.86278583      3.28604690
  O     -2.70433737     -2.87457910      0.50558462
  H     -0.99031617      4.24899120     -1.81838927
  H      2.08822030      0.43478619      2.54029362
  O      3.30600620      2.22246563      4.75574732
  H     -1.57321829      3.65770258     -0.51364676
  H      2.15600639      4.21241491      2.26612747
  O      1.44922405      0.94648959      0.90744354
  H      1.92306886     -1.13986006     -1.94848091
  H      3.31872649      5.11361893      2.73143639
  O      2.18832622      0.01152131      3.40501445
  H      0.90297052     -1.49060554     -0.84004584
  H     -3.48027532      3.06310675      0.82999394
  O      2.72110616      4.42998332      3.02531034
  H     -1.16066446     -2.49293861      6.05749420
  H     -2.38054740      3.87278951      1.57325823
  O     -2.78541002      3.72109429      0.70967769
  H     -0.68057439     -1.18955336      5.38766481
  H      0.47389281      3.77708504      0.22738639
  O      1.01530469      3.62489075      1.01142708
  H     -3.62427748     -1.40159847      3.17850068
  H      1.26403662      2.68822059      0.97314593
          69
 Energy    -249.69030973308790     
  O     10.66021115      8.97972472    -11.40003663
  H     10.26944907      8.45323315    -12.10781099
  H     13.47030872     11.39193729    -15.77166525
  O     13.88161652      7.23493105    -14.93400256
  H     11.19572970      9.65692710    -11.83326200
  H     14.96605818      8.38456853    -14.04003488
  O     16.97441118     10.91935020    -10.69130225
  H     13.04655613      7.71930277    -14.90914551
  H     15.26683110      9.21643235    -12.74787832
  O     17.53708513      9.32916065    -16.72853342
  H     14.28953808      7.41359252    -15.79462028
  H     11.25394518      7.07139323     -8.93486069
  O     11.63809142      8.87058172    -14.87726630
  H     17.61165206     10.24471131    -10.42420705
  H     11.35796595      7.83411936    -10.27723184
  O     17.20379447      6.72157352    -10.49753142
  H     17.38006727     11.38101771    -11.43386629
  H     19.39947710      9.19225298    -11.91111264
  O     14.39230266      5.58666534    -12.82289127
  H     18.13342143      9.70859881    -17.36924024
  H     19.09820662      8.79073609    -13.37262783
  O     14.54262188      9.79940923    -11.21642631
  H     17.22936546     10.06037452    -16.16632918
  H     12.54658676      5.36156324    -12.39313564
  O     17.24339487      5.37088271    -13.03689651
  H     10.96002450      8.28388393    -14.51999480
  H     11.64294564      5.90710715    -11.26705001
  O     16.52931244     11.15163804    -14.91819824
  H     11.91344882      9.46412888    -14.16105673
  H     19.07369764     12.60317620    -12.91566804
  O     14.94220183      8.19888198    -17.24730165
  H     16.25936888      6.85236553    -10.33901572
  H     18.88276178     11.06730584    -12.98056136
  O     13.76577251     11.86064332    -14.98196100
  H     17.27156709      6.19585747    -11.30258532
  H     17.12694156      8.11548913    -13.98106318
  O     15.62818259      8.92843298    -13.59470989
  H     15.32537263      5.35642181    -12.89365029
  H     17.94317171      8.04948413    -15.27794488
  O     11.73229125      7.09906316     -9.75885065
  H     14.18481060      6.10448102    -13.61683440
  H     18.26685162      8.05023158    -10.25406245
  O     19.53597703      9.45799004    -12.83064694
  H     14.52337404      8.91181641    -10.83481989
  H     19.36353966      8.69571921     -9.37539595
  O     11.62531950      5.51504208    -12.14933617
  H     15.35112174     10.24831110    -10.92574281
  H     12.29752188      9.65488129    -16.35754688
  O     18.41340874     11.92120793    -13.00512417
  H     17.78883935      4.62746345    -13.28287313
  H     12.16628852     10.35720676    -17.72608158
  O     17.90535696      7.69362397    -14.38348957
  H     17.53750032      6.12245982    -13.57751167
  H     14.39085083      6.61263009    -11.30048356
  O     18.84688140      8.82784250    -10.16553690
  H     17.16278620     11.55508559    -14.31093988
  H     13.54612664      7.08495228    -10.08907027
  O     12.79877877     10.11000532    -17.05543652
  H     16.14472032     10.39620395    -14.44404052
  H     13.17919747     10.36653846    -12.23786918
  O     14.42953216      7.12065843    -10.47671989
  H     15.82150992      8.58663992    -17.16861684
  H     12.88801232     11.16457660    -13.53627737
  O     12.48390764     10.58199529    -12.87658626
  H     14.31384526      8.93030360    -17.30713324
  H      9.11361191      6.69624185    -13.67652493
  O      9.93664846      7.14813037    -13.51219015
  H     14.72874178     11.79817663    -14.99261017
  H     10.53046715      6.50446067    -13.08537864
          69
 Energy    -249.69029397760761     
  O     11.76653576     11.25804882    -12.31650210
  H     11.29959812     12.03063246    -12.00947619
  H     18.79634622      7.04253439    -13.78696268
  O     19.20447735     10.28366271    -13.56093245
  H     12.40375031     11.55964421    -12.98855099
  H     10.75909567      9.07042334    -17.20450899
  O     15.95197310     10.27746916    -11.76738652
  H     18.74900928     11.04985750    -13.19459263
  H     11.34860015      9.33663849    -15.80203664
  O     11.06634043      9.12710316    -14.10442710
  H     18.71479528     10.03094769    -14.35674200
  H     16.05401809      9.64787825    -14.77982519
  O     14.21825014      7.10145912    -14.64163149
  H     15.69958698     10.03778813    -12.67363442
  H     14.79563494      8.81402547    -14.43515887
  O     16.01879721      5.90577196    -12.89965963
  H     16.52452690     11.04878997    -11.84703497
  H     12.21500825     12.51385190    -17.53787575
  O     19.63159528      7.94378657    -12.29047686
  H     11.37724522      8.36520117    -13.59855057
  H     12.29202534     11.07486081    -16.97899308
  O     13.51887555     11.85865762    -14.29704451
  H     11.16450234      9.88210898    -13.51232423
  H     14.21103250      7.96213446     -9.92435910
  O     17.61118396      9.22102623    -15.59120984
  H     14.93059877      6.64244951    -14.17657635
  H     15.62550501      7.35657696    -10.01833496
  O     17.07821465      7.81594921    -11.13577090
  H     13.48768671      7.14529004    -14.01085324
  H     15.18826591     12.84943184    -14.38160742
  O     15.66192268     11.97732979    -17.20735441
  H     15.32608564      5.45599627    -12.40221214
  H     16.14066745     12.71570377    -15.56548569
  O     18.20602895      6.76420113    -14.49888252
  H     16.38204568      6.57577597    -12.30107591
  H     17.97061885     13.21981318    -12.13494062
  O     11.50048150      9.46872128    -16.75512452
  H     20.54798336      7.84921858    -12.04680669
  H     17.12780566     12.67442288    -13.31149157
  O     15.20513230      9.67959430    -14.31731841
  H     19.54001053      8.81895738    -12.71102266
  H     12.80078751     10.05661621    -11.28323251
  O     12.74542669     11.93278338    -16.99768855
  H     14.11397092     11.09233343    -14.34076903
  H     14.31219182      9.76641782    -11.16615500
  O     14.72917688      7.17862119     -9.70100105
  H     13.19855954     12.00424203    -15.19557092
  H     15.45458509      8.84976429    -17.79547547
  O     16.09754746     13.02557386    -14.64976410
  H     17.80133680      8.30817069    -15.32222917
  H     16.51308040      8.97452819    -18.91670567
  O     17.62759574     12.41599730    -12.51534081
  H     17.29857536      9.20940966    -16.50312397
  H     12.79239424      7.98002838    -11.97786435
  O     13.43649079      9.39809343    -10.97789656
  H     18.00703524      7.80727288    -11.39862508
  H     12.73322895      6.44037896    -12.10744606
  O     16.27719737      9.30272638    -18.05329915
  H     16.74952875      8.70674252    -11.32434639
  H     13.58815970      4.35912502    -10.73490626
  O     12.42845238      7.26025188    -12.51458274
  H     15.93736758     11.11675104    -17.54453463
  H     14.12845106      5.80348170    -10.59213719
  O     13.81406886      5.13949861    -11.23339563
  H     14.69848933     11.96562025    -17.23400677
  H     13.15104117      8.54773707    -17.15250631
  O     13.99036504      8.08322981    -17.23607440
  H     17.49102887      6.28261799    -14.06515954
  H     14.09695057      7.60023600    -16.40430536
          69
 Energy    -249.68993128373660     
  O     -1.64368303      4.60176139      2.29202566
  H     -2.14807591      3.96946862      1.75799552
  H      0.02091083      1.28348550      0.95105904
  O     -2.91330988      5.39156411     -1.25215183
  H     -1.16686549      4.09818722      2.96456891
  H     -0.00334727      3.74028209     -2.59153913
  O      4.41317576      6.63647216      0.75900848
  H     -2.92229978      6.01531818     -0.51627248
  H     -0.58106094      2.51952834     -3.35926560
  O      1.85608301      7.02470677      1.86750969
  H     -2.00690000      5.40095824     -1.59688444
  H      0.72813556      7.98955341     -1.36366802
  O     -0.27079966      5.36332637     -1.94332460
  H      4.08671292      6.38798267     -0.12404545
  H      1.14987692      8.52984074     -2.75273348
  O      2.56104318      2.92616070      0.36084727
  H      5.19606606      7.16367344      0.62520614
  H     -3.63798916      0.46932590     -1.82510674
  O      0.59548389      4.88402986      0.59223301
  H      2.76496282      7.01173776      1.54123463
  H     -3.22230081     -0.96929737     -2.21925838
  O     -2.44899355      6.94093876      1.08039401
  H      1.83403230      6.47423604      2.66680045
  H      1.31526526      4.41495361      3.90703282
  O     -0.94451985      1.34563820     -0.67509587
  H      0.05301806      5.19369183     -1.04306538
  H      2.74606101      4.75715883      3.43227679
  O     -2.86275685      3.06924804      0.36958857
  H      0.14485952      6.18436939     -2.23131920
  H     -3.86103909      4.48662911     -2.49358666
  O      0.01530653      8.24136179      0.19821406
  H      1.87768439      3.60837362      0.45505760
  H     -4.85119121      4.39182920     -3.67413066
  O      0.60564534      1.45949811      1.69810413
  H      2.79567290      2.91771831     -0.57290956
  H     -2.43697667      1.22866384     -3.49157421
  O      0.17117150      2.81641615     -2.82712795
  H      1.07552151      5.62911104      0.97964532
  H     -2.89784707      2.66746077     -3.78186652
  O      1.11391831      7.73825215     -2.22339725
  H     -0.14381944      4.69561938      1.18200224
  H     -0.07959623      2.44537676      4.63163368
  O     -2.89789117     -0.07603262     -2.14631141
  H     -2.15123724      6.18160564      1.60957235
  H      0.21226247      2.39065907      3.11357530
  O      1.94527290      5.13767937      3.82626313
  H     -3.00440847      7.46682150      1.65164313
  H      1.93050838      3.02121586     -2.65975870
  O     -4.27800106      3.87017531     -3.11726634
  H     -0.46039734      1.82623025     -1.35979724
  H      3.39847869      2.79762180     -3.08475343
  O     -2.19628885      2.03245431     -3.96926745
  H     -1.52524987      0.72378219     -1.13176798
  H      3.69269690      3.65921596      1.66958299
  O     -0.01775619      2.98673860      3.84925323
  H     -2.89675176      3.83380325     -0.22160642
  H      4.36020463      5.02856402      1.84065815
  O      2.85055897      3.25443495     -2.45103090
  H     -2.16925060      2.48089110      0.03587571
  H     -4.27063794      2.12152037     -0.52716208
  O      4.11078026      4.23274802      2.32574964
  H      0.65678406      7.95544678      0.86612867
  H     -4.76718183      2.41239153     -1.94738809
  O     -4.74401869      1.72423120     -1.27043598
  H     -0.82869326      7.85810623      0.45914651
  H      3.14215368      5.11227645     -1.97116584
  O      3.33568779      5.99877162     -1.64600892
  H      1.41391919      1.81214567      1.30079906
  H      2.60700908      6.57092407     -1.91428526
          69
 Energy    -249.68931865478629     
  O     20.46095725     11.88188764    -18.93770390
  H     20.84458137     12.75088560    -18.72029795
  H     17.31547550     12.29871783    -18.43901663
  O     16.59911133     17.41249624    -12.92608858
  H     21.02302068     11.48963430    -19.60014747
  H     19.55291148     19.26804729    -17.27353497
  O     22.38018791     14.84078439    -15.65714826
  H     16.14186258     18.09683439    -12.44595849
  H     19.35051952     17.73811387    -17.36871905
  O     15.26518133     13.40120769    -15.29614052
  H     16.59032602     17.67009570    -13.86577317
  H     15.02458495     11.82021042    -14.26052275
  O     16.80331615     11.63392359    -16.80890047
  H     21.95356560     15.68178057    -15.41221112
  H     15.29940129     10.31060949    -14.41696153
  O     17.48131333     11.01398114    -12.28432348
  H     23.28328934     14.89517158    -15.35588089
  H     20.58843731     17.68326388    -15.51523576
  O     16.05514306      9.13890647    -15.74580733
  H     15.25403016     14.12118919    -15.93736753
  H     20.49514385     16.87361556    -14.20916553
  O     21.40776068     14.31698854    -18.26509621
  H     15.54983891     13.80948838    -14.46150935
  H     18.34478665     12.66659061    -12.33015184
  O     19.27185580     16.14318376    -18.15619491
  H     16.31352363     12.26754234    -16.26684460
  H     19.36569224     13.34393359    -13.26080500
  O     16.14765236     14.58079970    -13.02111180
  H     16.46341072     10.75714735    -16.58981736
  H     18.98250203      9.87657669    -15.06519894
  O     20.33487985     13.11883588    -14.74941609
  H     16.63102251     11.06469047    -12.75596397
  H     18.26658228      9.92272201    -13.68984199
  O     17.72649517     12.69766532    -19.21852271
  H     17.29934944     10.59582311    -11.44591848
  H     16.87544945     15.25822546    -16.45937049
  O     19.33103084     18.49541681    -16.75924703
  H     16.91062601      9.09648212    -15.28079237
  H     16.24674180     15.48555184    -17.85577324
  O     15.18442627     11.00901895    -13.76097855
  H     15.83818653      8.25003243    -16.01147026
  H     18.31026342     16.71522359    -12.97426995
  O     21.09859638     17.11606282    -14.92711646
  H     21.84029832     14.48639159    -17.41928487
  H     19.06058613     15.36295827    -12.79427084
  O     18.74845168     13.51981746    -12.53432460
  H     20.74201117     15.00989353    -18.36400580
  H     16.39250879     17.22508002    -16.09813202
  O     18.43912513      9.36039724    -14.45537335
  H     19.06860187     15.71592535    -17.30790457
  H     17.58871365     18.20289486    -15.96308401
  O     16.06563454     15.54756192    -16.91074391
  H     18.54372784     15.92796431    -18.75275541
  H     18.56861768     11.33831642    -16.51584982
  O     19.11879582     16.23772155    -13.20096576
  H     17.03001227     14.24077383    -12.82518059
  H     19.91217993     11.24378501    -17.27941880
  O     16.74465577     17.95355607    -15.56955393
  H     16.19516133     15.53864260    -12.92417676
  H     18.61340748     15.57908291    -14.96603788
  O     19.50644083     11.11402642    -16.41356733
  H     20.18104741     12.36108115    -15.33072282
  H     19.07463499     14.23775766    -15.53429717
  O     18.53680790     15.01076853    -15.74229767
  H     21.11518944     13.59894496    -15.05156840
  H     16.60121500     15.37577344    -20.42133696
  O     17.02446775     15.25933559    -19.57576232
  H     18.64312057     12.39940491    -19.22279750
  H     17.25895428     14.31498917    -19.50333005
          69
 Ord_Energy   -249.689117    
 O   -3.04744864       6.09639406       6.40667391    
 H   -2.79044557       6.02590322       7.33786297    
 H   -3.96582460       6.39363480       6.38584185    
 O   -3.14184213       1.04133904       8.96891212    
 H   -3.87490654       1.61185241       8.67432404    
 H   -3.41379595      0.646488965       9.79378319    
 O    2.44685292       4.09642267       7.37888908    
 H    3.19878435       3.62045431       7.03639698    
 H    1.65613115       3.70497870       6.96823025    
 O   -3.26942301     -0.233141214       6.39248180    
 H   -2.55856252      0.232491583       5.92780256    
 H   -3.21784234       6.47176504E-02   7.30714703    
 O   -1.23381448       3.15007734       8.82177544    
 H   -1.80573428       2.37684655       8.88763428    
 H  -0.827724993       3.14461637       7.94403458    
 O   -5.32080603      -2.40233596E-02   4.63992262    
 H   -4.59988594     -0.112477258       5.28862429    
 H   -5.82572174     -0.832431555       4.68937588    
 O   -6.59828520       4.74559164       4.83544827    
 H   -6.79894781       3.86285639       5.17900944    
 H   -5.97371244       4.61053705       4.11218596    
 O   -1.78868914       4.74857140       2.60791326    
 H   -1.36968827       5.05767679       3.42789555    
 H   -1.48477638       5.33288908       1.91676164    
 O  -0.747338235       5.65728045       5.00084829    
 H   -3.33073102E-02   6.09766245       5.48527288    
 H   -1.57403600       5.91665030       5.43549156    
 O   -4.99241161       2.71367145       7.92831278    
 H   -5.14348555       3.55188799       8.38935566    
 H   -4.50038576       2.92124152       7.11946344    
 O   -1.59045148       1.52199864       5.09180260    
 H   -2.26461530       2.17910266       5.32990408    
 H   -1.52401686       1.52709007       4.12686825    
 O   0.125732079       6.96768856       9.42486477    
 H   0.510845780       6.10560274       9.66624928    
 H   0.435488462       7.59836531       10.0695925    
 O   -2.35638165       5.68891144       9.03620338    
 H   -2.02863932       4.77752447       9.01769543    
 H   -1.59597218       6.24889183       9.23420143    
 O   -3.49657917       3.44286132       5.69444847    
 H   -3.97290158       3.55919695       4.86242771    
 H   -3.28727913       4.33450556       6.00282955    
 O    5.89042306E-02   3.28726697       6.31753063    
 H  -0.229501426       4.08775377       5.85854626    
 H  -0.364406437       2.54140067       5.87032270    
 O   -4.54462910       1.30197895       2.32444525    
 H   -5.02992630      0.911180198       1.60133207    
 H   -4.80386400      0.819783151       3.12603068    
 O    1.07118917       4.45366430       9.84462643    
 H    1.68324649       4.28621054       9.11623573    
 H   0.302677900       3.89253211       9.67429638    
 O   -4.49045372       3.99910045       3.12453771    
 H   -4.56910849       3.10929775       2.75606418    
 H   -3.61627793       4.33310223       2.88612056    
 O   -5.17707729       5.22571421       9.00918579    
 H   -5.46828938       5.76338911       8.26181793    
 H   -4.26017237       5.47679043       9.18095684    
 O   -5.77876902       6.63335514       6.57012320    
 H   -6.12757206       5.96140289       5.95618534    
 H   -6.34036303       7.39879560       6.48592615    
 O    1.15375638       6.59850597       6.74318600    
 H   0.780286491       6.85639668       7.59475517    
 H    1.75232160       5.86677217       6.93675137    
 O   -6.82163429       2.16048789       5.85630560    
 H   -6.35801458       2.27487469       6.69698763    
 H   -6.37732458       1.42726302       5.41785002    
 O   -1.71405673       1.87057161       2.37326336    
 H   -1.67956734       2.83573604       2.36507535    
 H   -2.63935256       1.63001668       2.23973203    
          69
 Energy    -249.68906008682976     
  O     11.90702630      9.39677737    -16.39764396
  H     11.40587702      9.11661321    -15.62253193
  H     18.10368826     10.04618123    -13.33751561
  O     15.65715520      7.31482402    -12.59947327
  H     12.06354726     10.34457340    -16.30495169
  H     15.53775426     11.24889962    -17.37497828
  O     17.06379493     11.19643427    -14.56816500
  H     16.11908281      7.87223978    -11.96097182
  H     15.93672191     11.90732888    -16.04291311
  O     14.29105225      5.53074543    -15.84029802
  H     14.78224892      7.13276967    -12.23336482
  H     15.35141855      8.52540576    -13.89949927
  O     13.37897195     10.13939413     -9.57411692
  H     16.74328374     11.78757830    -13.86997047
  H     14.85765426      8.82213294    -15.35335281
  O     13.18777417      6.99583284    -11.41079937
  H     16.43770201     10.45314233    -14.59869703
  H      9.65055594      8.01248112    -14.18065243
  O     13.46707031     11.17064033    -13.54327211
  H     14.23734055      4.67238862    -16.25248837
  H     11.11183906      7.50990530    -14.10981902
  O     18.29374934      9.65865838    -16.58675245
  H     15.18936529      5.60836891    -15.47031083
  H     12.93658458      5.93710110    -14.54235465
  O     14.82279269      7.67638552     -9.18613924
  H     12.77569942      9.97176491    -10.30931861
  H     12.58164293      6.24243780    -13.05836108
  O     18.99172787      7.54020001    -15.04399208
  H     13.73368909      9.28046977     -9.31354855
  H     15.82326321     12.24204767    -11.65233321
  O     16.70500455      5.88927851    -14.70458404
  H     13.63559677      7.06529748    -10.55900749
  H     14.88829242     12.17883434    -12.86508518
  O     18.43152487      9.29994235    -12.82277021
  H     12.77126008      7.85585604    -11.57574796
  H     16.51835004      9.84808089    -10.41826725
  O     15.29593351     11.95379706    -16.76110626
  H     13.08331704     11.59886839    -14.31791461
  H     17.51737985      9.06981563    -11.31375621
  O     15.15314986      9.22870853    -14.53068182
  H     14.03417500     10.45965496    -13.88181145
  H     15.91702806     11.99334090     -9.15884946
  O     10.55444816      8.30976776    -14.11418615
  H     18.02806690     10.33439197    -15.94893441
  H     14.83614044     11.09205048     -9.80065429
  O     12.21612663      6.18116863    -13.95030284
  H     17.58768792      9.62209145    -17.24327956
  H     15.37536156      9.05046248    -17.86899840
  O     15.75054698     12.50873083    -12.57591073
  H     15.14982189      7.21648486     -8.41689913
  H     15.93825107      9.51754813    -19.23215849
  O     16.82553737      8.95971196    -10.64251493
  H     15.59835057      8.05067938     -9.63607688
  H     11.35879245      9.12543371    -12.60817366
  O     15.72909456     11.45880972     -9.92626449
  H     19.88867667      7.28343008    -15.24295823
  H     12.51111923     10.12955718    -12.45631670
  O     16.00813448      9.65697182    -18.29129963
  H     18.76767437      8.26233227    -15.65742445
  H     13.60860543     12.10840232    -16.34897283
  O     11.99865130      9.46535776    -11.97062279
  H     17.51194468      6.37108465    -14.91931453
  H     12.30875743     12.94719215    -16.37010888
  O     12.67931987     12.12681663    -16.05650396
  H     16.39485114      6.27583418    -13.87221112
  H     14.19468868      7.18513145    -16.65910995
  O     14.23022961      8.10878296    -16.93441456
  H     18.66998099      8.62547268    -13.46982878
  H     13.35254631      8.50579435    -16.81058277
          69
 Energy    -249.68904448780660     
  O     -3.52398264      1.02159900      1.44779282
  H     -3.81427181      0.18645676      1.03143237
  H     -0.55123098     -4.93175246     -0.97326616
  O     -3.74501952     -1.89762124      6.35999090
  H     -4.11549252      1.70268163      1.13962292
  H      0.28832224     -5.77332966      1.03506713
  O      0.74364838      1.10698456      3.19878964
  H     -2.79983323     -2.00548669      6.52662441
  H     -1.19180148     -5.33238864      1.10929260
  O     -3.64697947     -0.41566145      3.90959408
  H     -3.82647822     -1.26077761      5.63813387
  H      2.45428410     -1.78646546      2.82759540
  O      1.82195544     -2.75965080      5.82930844
  H      0.13100473      0.53948596      3.70031633
  H      2.02711424     -0.42726167      3.42448476
  O     -4.61250204     -4.28353116      5.37572676
  H      0.89727337      1.88433338      3.73028628
  H      0.39594315     -2.30844369      1.68344218
  O     -0.94915199     -2.57635734      6.28976511
  H     -3.74793287      0.18643851      3.16392931
  H     -0.67978846     -1.23389917      1.32490432
  O      0.94101103     -5.16785183      4.55304209
  H     -2.69017660     -0.48902913      4.04611718
  H     -1.56910702     -3.41762652      1.97374187
  O     -4.51374235     -2.90302010      2.85685995
  H      2.58029956     -2.74718782      6.40771598
  H     -3.03065772     -3.81199919      2.29165101
  O     -0.79731842      0.64207705      0.86163787
  H      2.04918653     -2.20559208      5.06176074
  H      1.99437126     -2.71400297      0.42250310
  O      1.87437272     -5.56990250      2.05220812
  H     -5.30904878     -4.67591222      5.89510280
  H      2.09546239     -3.79455649      1.55197845
  O     -0.55466234     -4.39586436     -1.78619329
  H     -4.37972166     -3.44146026      5.80687141
  H      1.01491956     -1.63762503     -1.45161701
  O     -0.53794235     -5.75951578      0.53789125
  H     -1.25524826     -3.36506401      5.81608553
  H      0.83652246     -3.16444353     -1.49121988
  O      2.44978936     -1.26343373      3.64259026
  H      0.01512117     -2.62957315      6.31347504
  H     -0.90765040     -1.33056396      5.00939058
  O     -0.50773225     -2.01461202      1.86260650
  H     -0.00717925     -5.19639826      4.73153701
  H     -0.76110710     -1.28176328      3.45663155
  O     -2.14575841     -4.17455584      2.15851475
  H      1.28274382     -4.39104960      5.01193061
  H     -0.34655626      0.23796566     -0.80319369
  O      2.08802361     -2.84474129      1.37905068
  H     -4.24117252     -2.04541212      3.21496438
  H     -0.09023285      0.59001953     -2.28639200
  O      1.45974083     -2.46802606     -1.24474889
  H     -4.71859207     -3.45275702      3.62237071
  H     -1.74197671     -2.96034205     -1.42803871
  O     -0.93844417     -0.74311528      4.24410857
  H     -0.23150585      0.91392452      1.59524026
  H     -1.59042335     -1.43878017     -1.52686607
  O     -0.16030329     -0.14147623     -1.67837573
  H     -1.71325482      0.84852117      1.09247295
  H     -1.87949571     -4.61366813      3.88215593
  O     -2.20910611     -2.13148193     -1.26943456
  H      2.53389280     -6.25845333      2.06962567
  H     -2.77811574     -4.81518292      5.11267736
  O     -1.85496840     -4.78266437      4.83649440
  H      1.54725187     -5.47093362      2.96439166
  H     -4.43957772     -2.02581079      1.08074245
  O     -4.21869313     -1.34424429      0.43816580
  H     -0.67818885     -5.00119408     -2.51218490
  H     -3.56190495     -1.71100395     -0.17386977
          69
 Ord_Energy   -249.688919    
 O   0.889743328       8.06958675      0.624912620    
 H    1.36439753       8.53550053      -5.83943389E-02
 H    1.05239809       7.12043762      0.478878707    
 O    2.65543652       5.65650415       4.42254448    
 H    2.96430635       5.16679525       3.65216541    
 H    2.17617917       6.42573118       4.08470058    
 O   -1.06453621       9.18988419       4.40023804    
 H   -1.60535884       8.52935410       4.86890745    
 H   -1.09400237       9.98647881       4.92345715    
 O   -3.23863292       6.73983431       2.02181268    
 H   -2.78953671       7.55219316       1.74636829    
 H   -3.23511934       6.10618925       1.28988135    
 O    1.41949654       5.41830063      0.420699596    
 H    2.17416787       5.07534409      0.915698290    
 H   0.724809706       4.75637960      0.518356681    
 O  -0.897009075       5.62804604       3.10577512    
 H  -0.201529533       6.29560518       3.15233254    
 H   -1.70798278       6.05596352       2.79901791    
 O   -2.35979152       1.73121476       2.28930068    
 H   -2.42833805       2.02682352       3.20964193    
 H   -3.21189404       1.91452134       1.87628496    
 O  -0.867401659      0.324646950       5.56338549    
 H  -0.651392281       8.01689923E-02   4.64528751    
 H  -0.913231194     -0.487526566       6.06043530    
 O   -1.68296897       8.92992592       1.59276032    
 H   -1.48632538       9.13900185       2.51494980    
 H  -0.845291734       8.68118191       1.18274069    
 O    1.34829521       2.09174156       5.16056299    
 H    1.38168430       2.86956906       5.72900057    
 H   0.625533819       1.53746557       5.47602606    
 O   -1.20199585       4.81233358       5.70893002    
 H  -0.324295819       4.73664808       6.10329723    
 H   -1.06986606       5.06106472       4.78016424    
 O   -4.91072464       3.64181399       3.88946438    
 H   -4.19515133       3.24108911       4.40017605    
 H   -4.90672445       4.58481264       4.09201622    
 O    3.39144182       4.17629004       2.07075667    
 H    2.85854506       3.37238073       2.19630456    
 H    4.27357912       3.88717628       1.85096157    
 O    1.45484579       4.55091524       6.56044197    
 H    1.92884862       4.96281719       5.81409883    
 H    1.94181836       4.76771164       7.35035896    
 O  -0.293928981      -5.57177514E-02   2.91968393    
 H   0.478507280      0.460095882       2.66168976    
 H   -1.05686748      0.415880620       2.55585217    
 O   -3.05519366       4.70295382      0.204683185    
 H   -3.69251370       4.03409624      0.489409715    
 H   -2.18410301       4.31971598      0.350992382    
 O   -2.55709171       2.50387836       4.97544622    
 H   -2.09613562       3.28866696       5.30468988    
 H   -2.07559037       1.73594475       5.30738115    
 O   -2.54456663       7.29735327       5.66764832    
 H   -3.39240837       7.05442715       5.27568483    
 H   -2.09866118       6.46257353       5.86107349    
 O   -4.79208040       2.75094104       1.34226418    
 H   -4.91588736       3.09312153       2.24704981    
 H   -5.62576103       2.37891340       1.06883824    
 O   -4.82806396       6.47826195       4.18717527    
 H   -5.62917185       6.98583794       4.08291721    
 H   -4.30853987       6.60182953       3.37163877    
 O    1.03985751       7.66364193       3.38335252    
 H    1.10126269       7.91492176       2.45201945    
 H   0.409360349       8.26176643       3.80635715    
 O  -0.565333724       3.58509326       1.33604705    
 H  -0.649115860       4.29025888       1.99936843    
 H   -1.18596697       2.88778138       1.59222150    
 O    1.62113488       2.12429333       2.45636821    
 H   0.871181905       2.60118890       2.07845950    
 H    1.53334510       2.14443660       3.42523074    
          69
 Energy    -249.68863187429110     
  O     -1.09033128      6.99624578     19.65856227
  H     -1.84653008      6.45139955     19.85769637
  H     -0.35983271      8.47037579     20.45303663
  O      4.78390746      9.40767302     19.98034668
  H     -0.30044754      6.43749416     19.77805024
  H      1.10058864     12.36671506     20.26834050
  O      1.23026898      7.48067600     15.46134859
  H      5.19800116     10.03461796     19.37524381
  H      2.12791693     12.22916285     19.12409315
  O      3.73047686     11.06846910     21.85065303
  H      3.91707252      9.17961715     19.60770534
  H      4.69944970      9.38248945     16.46589745
  O      4.08613688     14.35214835     19.83344473
  H      0.49962976      7.79314878     16.02956651
  H      5.93217114      9.93696169     17.20739017
  O      3.21609918      6.29903929     21.86989250
  H      0.83903061      7.19186635     14.64229946
  H     -0.65809543     11.42550662     18.50678575
  O     -0.65300595      8.36818307     17.13724148
  H      3.08141225     11.53679283     21.30481865
  H      0.38792057     11.53849703     17.39057304
  O      4.57886803     13.65398241     17.26399674
  H      4.14070669     10.40810952     21.26809448
  H      2.46465549     11.27384671     16.83607178
  O      2.03565552      8.81426501     22.58118225
  H      3.28634012     13.83529540     20.00709769
  H      2.96624007     12.70540067     17.13284578
  O      2.34673027      8.78688903     18.93766624
  H      4.78343121     13.92909255     20.34946654
  H      5.51492618     12.15212641     17.96306492
  O      1.20540894      5.62472160     19.95667287
  H      3.98624745      6.39370502     21.28250901
  H      6.12873909     11.85913297     19.34119946
  O      0.14594593      9.25709248     20.69036083
  H      3.47519237      5.69437937     22.56117478
  H      2.67032717      9.37822803     17.28860475
  O      2.04177522     12.43264162     20.06613298
  H     -0.63066697      9.32170712     17.30880702
  H      2.35682737      8.96371472     15.84111677
  O      5.61506619      9.17861669     16.70613491
  H     -0.87844900      7.92951710     17.96366824
  H     -1.38927897     12.00731876     20.98690314
  O     -0.43812146     11.09927085     17.62660092
  H      4.41573100     14.02666183     18.14956608
  H     -0.42065814     10.87907571     20.54983205
  O      2.22512191     12.10417703     17.27251136
  H      4.89722275     14.36597388     16.71589246
  H      5.40267074      6.48978208     19.27237975
  O      5.96179939     11.46576136     18.47500929
  H      2.51878300      8.00225466     22.38157578
  H      5.28433757      7.68759053     20.21573486
  O      2.86767578      9.59351716     16.36215471
  H      2.65948714      9.54736194     22.52369863
  H      5.20312025     12.09785284     21.52166392
  O     -0.66432539     11.81146331     20.40025021
  H      2.30839005      7.86285754     18.65720593
  H      6.58978676     12.70190074     21.83007794
  O      5.31275862      6.71893884     20.20360327
  H      1.55852410      8.98603621     19.45515024
  H      5.96352521      6.03479839     16.80076436
  O      5.93776326     12.60651333     21.14025026
  H      1.84610592      5.81890634     20.65128649
  H      5.50961934      7.47373572     17.12937825
  O      5.35679758      6.53574026     17.33980240
  H      1.69102430      5.65791261     19.12038382
  H      2.13526716      6.57633703     16.82620505
  O      2.56488063      6.28161362     17.63974316
  H      0.73452279      9.05141726     21.43384546
  H      3.51915686      6.30498037     17.49199961
          69
 Energy    -249.68846902495926     
  O     15.75616529     10.48763400    -14.84409991
  H     16.69708473     10.47141368    -15.06653475
  H     14.02586583      9.59830931    -12.08244461
  O     16.65179241      6.26596896     -9.50036443
  H     15.41460665     11.38264578    -14.95416315
  H     13.02879314      9.06359688    -10.38758379
  O     14.65548348     13.04810518    -14.82136869
  H     16.83557735      6.53361965    -10.41896693
  H     12.42192500      8.97668307     -8.96897764
  O     13.92178066      6.07164894    -10.29432288
  H     17.35689096      5.68137090     -9.23623189
  H     17.61235890      5.86994766    -15.06287992
  O     15.05105969      8.02329358    -15.84700342
  H     14.07567803     13.54556868    -15.39056242
  H     18.18775768      6.74702167    -16.18507393
  O     18.45165906     10.05376758    -15.33090637
  H     14.15125418     12.84110622    -14.01190230
  H     16.45096110      7.98852804    -12.06920299
  O     19.30180520     12.32578908    -13.94268300
  H     13.58216119      6.92165302     -9.98938958
  H     16.57403736      6.61516620    -12.78575692
  O     19.09480644      8.05589517    -13.50627024
  H     14.82049879      6.01185289     -9.94794021
  H     15.64959177     13.73783249    -10.03483928
  O     13.47500019      5.27537585    -12.85085098
  H     15.74721500      7.96532775    -16.51146344
  H     16.23063473     12.39233793    -10.52756395
  O     13.49158836     12.39540061    -12.48212525
  H     15.16655537      8.90322625    -15.45750503
  H     17.91593914      8.93720302    -16.69305816
  O     12.73300976      7.76119614    -14.08989113
  H     18.83023144     10.87429406    -14.99065452
  H     17.86327395      8.43523275    -18.15109643
  O     13.05504036      9.61894801    -12.06712571
  H     18.66966829      9.36430414    -14.68441330
  H     15.81171772      9.98462707    -13.13797744
  O     13.17106055      8.70705618     -9.49439677
  H     19.98062273     12.98602827    -14.05475972
  H     16.26160967     10.14320650    -11.63722209
  O     18.44266204      6.18474425    -15.44388038
  H     18.48558729     12.80020430    -13.70315906
  H     16.24228566     13.51394721    -13.89693204
  O     16.91585803      7.13803231    -12.04792911
  H     18.40504484      7.77584162    -12.88838693
  H     16.60493154     13.50861849    -12.40427087
  O     15.68076541     13.15261440    -10.78728180
  H     19.10007901      7.36605488    -14.18561694
  H     18.01182268     10.71988794    -10.68218118
  O     17.55122429      8.24598356    -17.26932690
  H     13.62728356      5.54767504    -11.92861802
  H     16.86217709     10.25923935     -9.68289338
  O     15.76282649      9.59450809    -12.25469141
  H     12.91245841      4.50599098    -12.81848819
  H     15.54660352      6.60254080    -14.79954330
  O     16.98890937     13.56396237    -13.28782633
  H     13.21262313     11.48501286    -12.32064885
  H     15.05148326      5.51032693    -13.82169160
  O     17.16525911     10.96164201    -10.27874779
  H     14.15029738     12.61584484    -11.81126967
  H     19.44394866      9.54142874    -12.31420704
  O     15.84194318      5.85907031    -14.25335367
  H     13.36297385      7.83420156    -14.81569816
  H     19.42473624     11.06834800    -12.48024971
  O     19.36141317     10.36646803    -11.82111494
  H     12.89881366      6.89911445    -13.68756298
  H     16.27495206      8.04624303     -8.92431090
  O     15.97800457      8.96011717     -8.83777565
  H     12.77598955      9.02477846    -12.77779077
  H     15.02569297      8.93825329     -8.99225343
          69
 Energy    -249.68821825104396     
  O     14.12273594     12.33517770     -8.27469656
  H     14.28234316     12.51734121     -7.35242882
  H     10.41137555     13.68184630    -12.97820013
  O     10.96478985     11.10327078    -14.37566324
  H     14.81505567     12.80173296     -8.77695411
  H     13.68555974     13.42222223    -12.14373614
  O     14.11672645      9.75458439     -9.49638693
  H     11.51060630     10.93293514    -15.15906048
  H     13.97351424     14.89472021    -11.80746681
  O     18.51141026     11.95061547    -13.70304183
  H     11.04909738     12.04221203    -14.16146260
  H     12.08154987     14.44656049    -16.67477269
  O     11.88483884     12.83841178     -9.92362078
  H     13.18664870      9.68327244     -9.74234448
  H     11.99313290     14.22816664    -15.15542132
  O     11.48634165     10.12851580    -10.50199454
  H     14.19306590     10.59448418     -9.02642279
  H     15.32288707     11.80606693    -12.25498362
  O     12.87641859      9.74009377    -12.86122839
  H     17.93926282     11.43670712    -14.30102741
  H     13.95458194     11.17317780    -12.68132504
  O     15.74896188     15.56307005    -11.73919699
  H     19.40684894     11.83982843    -14.01049592
  H     16.03840656     11.34641748    -15.40274940
  O      9.30837854     10.30753184    -12.31433765
  H     12.31163941     13.41118648    -10.57652740
  H     16.20636591     10.00341239    -14.64179619
  O     14.77552087     12.73520480    -15.32483326
  H     12.54584808     12.70813839     -9.23191337
  H     15.46118414      9.10392148    -10.38901621
  O     12.87930496     10.67379858    -16.24989139
  H     11.60234413     11.07027876    -10.30390555
  H     16.65477595      8.12098614    -10.38753420
  O     11.13482237     13.81920115    -13.60593206
  H     10.65393662     10.05631766    -10.98526953
  H     14.39742563      8.98035827    -13.39881277
  O     13.25637261     14.25906925    -11.90014142
  H     12.25215317     10.13854049    -13.48180694
  H     15.72963534      8.60584439    -12.73789131
  O     12.61528716     14.31502792    -15.89447265
  H     12.44969339      9.76138784    -11.99497267
  H     15.56020595      9.09425453    -16.59262163
  O     14.48301822     11.98083413    -12.69709545
  H     16.05469208     16.46627867    -11.73917829
  H     14.89522237      8.34553645    -15.45283354
  O     16.67117319     10.64446472    -15.19902222
  H     16.14576465     15.13517561    -12.51813898
  H     16.84583982     10.52999361    -11.24662197
  O     16.24176461      8.81392425    -10.89606688
  H      9.81957080     10.52092369    -13.11354227
  H     17.58737673     11.58272085    -12.14344074
  O     15.30833206      8.71363282    -13.59736721
  H      8.56421976      9.78248993    -12.59783902
  H     10.14731381     13.06025626    -10.82336626
  O     14.77523714      8.58142891    -16.38304836
  H     14.62964966     12.48509700    -14.39780604
  H      9.25641878     12.15898439    -11.69794197
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  H     14.08073067     13.36299133    -15.57409660
  H     16.14932293     13.90011055    -14.52536563
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  H     17.47956077     13.59019646    -13.82191942
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  H     16.47248082     12.81021649    -10.27336197
  O     16.05516136     13.50997625     -9.75171490
  H     11.89298739     14.08301909    -13.06388445
  H     15.97438518     14.26847663    -10.34085668
          69
 Energy    -249.68811716141110     
  O     -5.46229898      9.35761603     -7.32273316
  H     -5.16685925      9.00117782     -8.17735940
  H     -8.42837794     11.71831681    -11.38277185
  O     -6.23550016      9.92878917    -13.08880785
  H     -6.10255134      8.71854860     -6.98943747
  H     -5.83507740     14.09023189    -10.94218464
  O     -4.85799383      8.22009280     -9.76086481
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  H     -6.32954200     10.80233282    -13.48615362
  H     -7.44095664     14.57340886     -8.87675476
  O     -2.47552581      6.27303448     -7.30195886
  H     -5.74139075      7.84197819     -9.85239057
  H     -6.85190132     13.17949961     -9.18806793
  O     -7.19018357      7.14194137     -6.88508059
  H     -4.20458709      7.51049017     -9.77208832
  H     -3.65706441      9.15986731     -6.85160269
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  H     -7.46010510      6.14689784    -12.07407364
  H     -2.30871705      9.62625222     -7.43700843
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  H     -2.07546670      9.26836242    -11.26105378
  O     -3.81573678      9.78304713    -11.75731554
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  H     -1.30597245      9.59383096     -9.97181667
  O     -6.30863424      7.06407513    -12.97649107
  H     -2.52341441      7.22813006     -7.11551096
  H     -5.32338334      5.11557162     -8.47531223
  O     -1.64729720     10.95391664     -8.62438171
  H     -7.69867870      6.77768287     -6.16655133
  H     -4.28620467      5.66348391     -7.44972926
  O     -8.56509181     12.61463351    -11.72169946
  H     -6.47778142      6.50339586     -7.08089823
  H     -7.63761520      7.42695346     -8.68115232
  O     -5.11587395     13.88849154    -11.55337245
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  H     -7.89644262      6.91385721    -10.14640972
  O     -7.23309726     13.97766284     -9.59186130
  H     -2.42897055      6.35409520     -9.14523060
  H     -3.33474561      5.98278978    -11.52586615
  O     -2.71645660      8.94247615     -6.89221672
  H     -7.41920276     12.69151939    -13.05396895
  H     -3.32149529      5.20978865    -12.86192662
  O     -1.36150715      8.95197650    -10.68924641
  H     -6.96294964     13.13629059    -14.46358734
  H     -5.02026477      4.87297536    -10.91353625
  O     -5.22072880      5.47086347     -7.57963124
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  H     -6.51207308      4.83898497    -10.57214011
  O     -7.64121728      7.67722359     -9.61319329
  H     -4.17959621      9.23533265    -11.04334616
  H     -5.14851777     11.77757553     -9.21782830
  O     -3.89461721      5.67952303    -12.26097814
  H     -5.41810694      6.72942870    -12.81210832
  H     -5.87988616     10.95287669     -8.12026686
  O     -5.63772187      4.66891018    -10.20181417
  H     -6.24283793      8.01165097    -13.14227621
  H     -4.01062298     12.78294606    -10.67658296
  O     -6.00049335     11.65234094     -8.77552065
  H     -2.32898570     11.42552534     -9.13164702
  H     -3.65769853     11.27713074    -10.80346935
  O     -3.62692267     12.03359143    -10.19840811
  H     -0.98422306     11.60140719     -8.39627758
  H     -7.72584799      9.33937066    -10.29276232
  O     -7.57414701     10.22096803    -10.65914290
  H     -8.27903428     13.19857878    -11.00825984
  H     -7.02560977     10.69629497    -10.02167738
          69
 Energy    -249.68720880703546     
  O     12.97083153      2.72351312    -11.24167781
  H     12.88017486      2.88226369    -10.29136863
  H      8.48895077      6.88958016    -11.08341571
  O     12.23949231      3.25723707     -8.59208759
  H     13.08372289      3.58570176    -11.66088221
  H     10.11258746      5.36094069     -9.94925319
  O      9.93165511      6.19098260    -14.95380981
  H     11.59414889      2.71425625     -8.12484726
  H     11.48993506      6.07977448     -9.70846536
  O     13.93530106      7.24086599     -7.68725271
  H     11.74231619      4.03890552     -8.88611178
  H     10.08917942      6.29048949     -7.91679182
  O     10.53593968      1.66687366    -11.78434691
  H     10.85602241      6.46222092    -15.01200897
  H      9.04477201      7.36675794     -7.51332384
  O      9.98269735      2.35058494     -7.14559401
  H      9.93483748      5.39828355    -14.40014953
  H      9.10459811      2.55359629     -8.88915403
  O     12.79813180      5.33304036    -12.42960144
  H     14.83906182      7.38366268     -7.41791059
  H      9.33647608      2.23526072    -10.38636527
  O     11.00325342      9.09976848    -10.70890548
  H     13.63527793      6.43034557     -7.23836958
  H     10.99127767      8.02884743     -6.84840706
  O      8.58823448      8.32356972    -13.94483650
  H     11.44368149      1.96387819    -11.59153035
  H     12.48563224      8.31479836     -7.10083248
  O     11.28735881      9.19474127    -13.49749104
  H     10.60674297      0.79883832    -12.17252388
  H     12.16392312      4.92039606     -6.04207968
  O     10.31074614      4.18959782    -13.05067555
  H     10.02344919      3.12828220     -6.56724562
  H     12.93169850      4.30735292     -7.21516008
  O      8.54654854      7.85319684    -11.15950414
  H      9.73624639      1.61291549     -6.59213150
  H      9.15470254      4.84468785    -11.82015423
  O     10.82962937      5.49398236     -9.31620400
  H     12.85760624      5.87626608    -13.22612932
  H      8.49417298      4.28465983    -10.53492626
  O      9.67522495      6.72559911     -7.15560210
  H     12.89892831      5.94218065    -11.68477724
  H     13.30474471      7.20877223     -9.44540148
  O      8.73158884      2.66848488     -9.76961110
  H     10.16485338      8.63200450    -10.84035612
  H     12.28560035      7.88592081    -10.42679982
  O     11.65184236      8.73466832     -6.86062677
  H     10.86370579      9.71757708     -9.98114771
  H      9.99828134      4.81737526     -4.63060186
  O     12.99880557      4.97500868     -6.51823911
  H      8.99271361      7.52798599    -14.33539312
  H      9.95652696      5.41477487     -6.05485260
  O      8.67521093      5.10358316    -11.02026706
  H      7.91952360      8.61981882    -14.55645787
  H     10.48506005     11.46009804     -8.04334367
  O     12.84465850      7.10646677    -10.28775527
  H     10.35794263      9.05435855    -13.71733920
  H     10.91132400      9.99075985     -7.80145015
  O     10.24865302      4.64478531     -5.53476529
  H     11.30969728      9.29672200    -12.53694846
  H     13.26090517      7.43291785    -15.25542947
  O     10.42826748     10.58153628     -8.40782818
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  H     12.22570122      7.90183935    -14.20560163
  O     12.63366566      7.11545566    -14.61139307
  H     10.31621537      3.27025493    -12.75903546
  H      8.83595576      9.43378634     -8.42348005
  O      8.23905818      8.67664074     -8.45515135
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  H      8.17575533      8.43272134     -9.38824556
          69
 Energy    -249.68714215486085     
  O      9.87937633     10.72245318    -11.25693378
  H     10.69594204     10.88225728    -10.74910476
  H     11.32896241     11.08898541    -17.81166272
  O     14.53644330     10.88120225    -13.00248432
  H      9.15970462     10.73501482    -10.63224869
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  O     16.92656946     13.44279900    -14.02731793
  H     15.34275918     11.20113861    -12.58161691
  H     13.94180387     13.74102563    -14.48351703
  O     16.11266994      7.94347199    -11.62291926
  H     13.96411840     11.65489288    -13.07521774
  H     17.89233148     10.83634766    -15.43732542
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  H     17.31563031     12.87231479    -14.70185017
  H     18.55643894     11.64849853    -16.57584423
  O     12.15594512     14.52411821    -16.85515287
  H     16.12971230     13.80505191    -14.43144472
  H     14.46491979     13.79948981     -9.71196937
  O     15.02644269     11.48644334    -16.64636743
  H     15.19967179      8.14926190    -11.37875053
  H     15.09513254     12.81039167    -10.71556100
  O     13.16900178     13.31557183    -12.96512572
  H     16.08162720      7.63931603    -12.53797416
  H     17.44240204      8.76505178    -14.41262567
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  H     18.12229781      9.67435221    -13.36827192
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  H     10.37208472     11.59089903    -12.82366232
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  O     14.37157466     13.90392119    -15.33845296
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  H     15.98734847     11.52595862    -16.56192816
  H     12.52829020     12.94936938    -17.87403029
  O     14.25001725     13.12618660    -10.35299809
  H     13.38681922     13.37357654    -12.02800074
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  H     13.23412547      9.25911921    -15.20727058
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  H     16.77806398     12.70529306    -12.41203835
  O     12.72843658     12.05511643    -18.17786016
  H     18.72763213      9.55715416    -10.89668501
  H     17.16075961     11.48585019    -11.49009975
  O     11.07980072      8.38365869    -12.52186788
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  O     16.54529713     12.22077339    -11.60326521
  H     12.73451726     10.24978115    -10.27717741
  H      9.98675647     12.18063056    -16.45504690
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  H     12.69799456      8.57021880    -11.71267235
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  H     10.08105513     10.30436984    -18.28401429
  H     13.84574439      9.59457711    -11.90813246
          69
 Energy    -249.68691363608278     
  O     -3.30340885      1.60305521      0.85298765
  H     -2.35173223      1.55059377      0.65265903
  H      2.30329394     -0.25439661      2.77056446
  O     -2.89289868     -1.98387791      7.12062974
  H     -3.60789132      2.44242792      0.51823156
  H     -0.65372808     -1.37584996      0.87083658
  O      1.13787096      1.31218023      2.50435366
  H     -3.48273603     -1.31849780      6.74567032
  H     -0.76310987     -1.02995169      2.39997443
  O     -3.67076245      0.19775834      3.23682961
  H     -2.03234785     -1.85706485      6.69620854
  H     -2.11708804     -4.32981933      0.94771650
  O      2.05819987     -2.42133632      5.36907962
  H      0.41141397      0.98710367      3.06457655
  H     -1.73633366     -3.13600022      1.83794106
  O     -3.57467961     -4.43774079      6.20458867
  H      1.50529742      2.07371435      2.94784353
  H      1.57368903     -3.92778531      2.48846528
  O     -0.61689478     -1.95626286      5.50597336
  H     -3.90068045     -0.67938852      2.89321662
  H      0.80279992     -2.74628239      1.84562053
  O     -5.47898265     -2.86942205      4.70409336
  H     -3.61925267      0.78914804      2.47516514
  H     -3.76239394     -2.93588997      2.07259389
  O     -0.66597823      1.36370826      0.29224346
  H      1.97487340     -3.31132331      5.00879105
  H     -4.92796497     -2.54927798      3.02805664
  O      1.27262730     -4.91199816      4.05111608
  H      2.41112388     -1.87525704      4.65092649
  H      1.43582941     -3.49384414      0.01138770
  O     -1.55625687     -4.48880332     -0.78565104
  H     -3.83172387     -5.03491636      6.90216536
  H      1.93776383     -3.81078397     -1.41565443
  O      2.80354739     -1.02543359      3.05939714
  H     -3.34221840     -3.59121175      6.62885613
  H     -0.81521452     -0.53463350      4.47620843
  O     -0.67219217     -1.74631978      1.76230762
  H     -0.92653130     -2.76622983      5.08081973
  H     -1.90701346      0.24759733      3.68145089
  O     -2.27400439     -3.94410928      1.81981265
  H      0.34456037     -2.04164378      5.59444789
  H     -1.16761318     -1.40303534     -1.40318323
  O      1.60064993     -3.29256950      1.76282758
  H     -4.91615285     -3.49706615      5.17327182
  H      0.27490270     -1.82942212     -1.04997434
  O     -4.44327256     -2.26989824      2.23822186
  H     -5.36175857     -2.02444794      5.15514388
  H     -3.32345317     -1.73817970     -1.38474935
  O      1.18588732     -3.48389122     -0.92840824
  H     -0.45822513      0.61376653     -0.28126878
  H     -3.15506141     -2.14787963     -2.86711281
  O     -0.95444931      0.15332071      3.80803143
  H      0.02969541      1.40381980      0.95947528
  H     -5.28462571      0.43937110      6.04864260
  O     -0.35758941     -1.10473338     -0.96683931
  H      0.31803817     -4.82750451      4.21193635
  H     -4.36927730      0.00036129      4.88518502
  O     -2.72218254     -2.17058727     -2.01811545
  H      1.51184834     -5.80317980      4.29346559
  H     -2.17217820     -4.56866285      4.99118248
  O     -4.72470694     -0.27183884      5.74679067
  H     -0.61909541     -4.28146081     -0.87814985
  H     -1.78699900     -4.37394739      3.49056083
  O     -1.42926937     -4.44027595      4.38828061
  H     -2.02214624     -3.78917461     -1.26163194
  H     -3.97813494     -0.03002988      0.09560776
  O     -4.24104594     -0.91055815     -0.19479826
  H      2.53870840     -1.75408248      2.48446548
  H     -4.45094151     -1.41154190      0.60542520
          69
 Energy    -249.68552740986820     
  O     11.80685414     10.10888142    -15.63592715
  H     12.30305721     10.93042076    -15.72578000
  H     15.07544680      5.51843253    -15.47036792
  O     15.92691519      6.83978183    -12.76932245
  H     12.32785726      9.43153541    -16.08938570
  H     17.38124421      9.66262654    -11.95327361
  O     16.50770126     11.24441637    -11.66418493
  H     16.61966262      7.44901383    -12.48227500
  H     18.07951798      8.88492515    -13.09510561
  O     18.40951825     11.78691863    -15.66398050
  H     15.20379565      6.91400638    -12.13226262
  H     15.84595570     10.73612040    -17.35602667
  O     13.17857575      5.56092247    -15.60658345
  H     16.05952793     11.06120165    -10.82643496
  H     16.68132591     11.72031365    -16.49885291
  O     14.88620380     10.46655069     -9.58379454
  H     15.80464930     11.33655994    -12.32502949
  H     15.33520817      8.14307443    -13.94336279
  O     13.83229563      7.32988224    -11.02730356
  H     19.11305694     12.23113436    -16.13066554
  H     16.19755387      9.08803724    -14.79827108
  O     14.41500668     11.22642471    -13.43261337
  H     18.37801017     12.17086958    -14.77070480
  H     11.16973568      9.47930606    -14.15917294
  O     17.65492646      7.13561882    -16.84197118
  H     12.62309489      4.82550711    -15.85030450
  H      9.89823653      9.17253836    -13.33405315
  O     15.43829879      7.76132958     -8.74508758
  H     12.84380431      5.89222109    -14.75354751
  H     18.74640765      7.00633965     -9.67192492
  O     18.07589735      9.10921033    -14.91631027
  H     14.07377951     10.35710932    -10.09517306
  H     18.05232242      8.04560748    -10.56502255
  O     16.01561791      5.63376703    -15.28772683
  H     15.07383335      9.60176587     -9.20068235
  H     11.71905202      7.39890893    -13.33100648
  O     17.83485641      8.83336786    -12.16119169
  H     14.29901590      7.36133349    -10.18347267
  H     12.74619414      6.66503089    -12.44981537
  O     15.81366434     11.58644768    -16.89309946
  H     13.51897316      8.23042699    -11.19950239
  H     18.58523924     13.51340470    -12.60429933
  O     15.28595898      8.89912369    -14.54195386
  H     14.67832316     10.39334274    -13.85594253
  H     17.70781096     12.25658981    -12.52779246
  O     10.84708819      9.08022028    -13.33062887
  H     14.06754584     11.78659291    -14.13514447
  H     14.97929263      8.71602399    -17.72452211
  O     17.99346717      7.59094270     -9.70946305
  H     18.20734501      6.54937863    -17.35188385
  H     16.48138102      8.39675934    -17.72448227
  O     12.25600625      6.59833302    -13.27790218
  H     17.06216465      6.57023727    -16.31401914
  H     12.06543636      9.66094791    -12.02644511
  O     18.29632816     12.75990179    -13.11288871
  H     15.41504945      7.46806129     -7.83778758
  H     13.38403509     10.43395132    -12.17313737
  O     15.83811861      9.05285472    -18.01518803
  H     16.35896363      7.67242905     -9.04546060
  H     14.32761031     12.13125331    -16.23243964
  O     12.86822939      9.90352680    -11.54838613
  H     18.07594653      8.46088360    -15.63307688
  H     13.28054484     13.26715477    -16.14749033
  O     13.50589221     12.41369535    -15.78878740
  H     18.27263255      9.98123532    -15.28107823
  H     14.17938866      8.45251147    -15.89078309
  O     13.57529866      8.17478303    -16.59843863
  H     16.06587887      5.91147437    -14.36242038
  H     13.36574410      7.25152144    -16.41591450
          69
 Energy    -249.68538880103972     
  O     16.47716622     10.16279734    -15.38924309
  H     17.27805548      9.61961984    -15.34410612
  H     18.19614398      3.68910936    -15.01673764
  O     13.85796275      7.53015462     -9.88814822
  H     15.72485501      9.58078390    -15.56503658
  H     15.91095414      8.02836937    -12.17713820
  O     16.82279090     12.84611573    -15.08248062
  H     13.78244192      7.08928694     -9.04615692
  H     15.28269970      7.10562240    -11.10558233
  O     14.35991517      8.40474766    -15.70431947
  H     14.22110442      8.41732391     -9.70870527
  H     18.14047675      5.92022226    -16.34913898
  O     18.71384824      8.61488946    -14.98458810
  H     16.67793296     13.31465988    -15.90046850
  H     18.39485154      7.43361192    -16.38574805
  O     20.57848528     10.23278064    -13.68107590
  H     16.66019713     11.90489375    -15.26547746
  H     18.13211105     13.39535358    -10.11667062
  O     18.30928554      6.63918146    -13.05366952
  H     14.63682849      7.93294089    -16.50082671
  H     17.82604622     11.98994180    -10.68459956
  O     12.08561917      7.57230564    -12.07003133
  H     14.24512739      7.72236587    -15.02845537
  H     16.42468971      6.81164503    -17.50415272
  O     15.55909380     13.32705894    -12.55493273
  H     19.42234928      9.17614014    -14.64603746
  H     15.41564156      6.72407415    -18.67387042
  O     12.67411032      9.84390908    -13.78135885
  H     18.54049805      7.95116095    -14.30097340
  H     16.22126191      9.91614916    -13.59489919
  O     13.92173746     11.27954950    -11.78030999
  H     20.07802991     11.06330708    -13.58782576
  H     15.25784580     10.22704954    -12.40982727
  O     17.89701976      4.59301834    -14.96445768
  H     21.48362249     10.47534900    -13.85641062
  H     18.39709053     12.67638866    -14.04848293
  O     15.84284955      7.10264486    -11.88882281
  H     18.24341438      5.86980724    -13.63322052
  H     18.77660933     12.70952574    -12.55464301
  O     18.06788890      6.69634184    -16.91823465
  H     17.46923405      6.70075393    -12.57697215
  H     17.09112322     10.09934892    -11.31993170
  O     17.88688960     12.93312926    -10.91388004
  H     12.65718654      7.58572342    -11.28628215
  H     18.40383786      9.67940471    -10.64967309
  O     15.47589872      6.80061987    -17.72557137
  H     11.19260243      7.45079743    -11.75552029
  H     14.70938800      6.53250377    -13.16836762
  O     16.02240522      9.69920555    -12.67840291
  H     15.92403831     13.24208472    -13.44398126
  H     13.18367234      6.62999950    -13.31303315
  O     19.11257074     12.48325031    -13.43081016
  H     16.31535317     13.29488121    -11.95588991
  H     19.32250099      7.84997454    -11.90005570
  O     17.62697606     10.24163054    -10.52407427
  H     13.15336570      9.48644237    -14.53717884
  H     20.06815382      9.17022206    -12.15054368
  O     13.98211273      6.37457044    -13.78842483
  H     12.41390950      9.08367288    -13.24641758
  H     15.88217465     10.06036822     -9.66989046
  O     19.67122447      8.63168768    -11.45457468
  H     13.37569081     10.94330897    -12.50521608
  H     14.50493843     10.52469850    -10.21097062
  O     14.93049208      9.96609763     -9.54271668
  H     14.36875861     12.09004844    -12.06968985
  H     15.24252147      5.35379254    -16.45368773
  O     15.28167272      4.77857904    -15.68003096
  H     16.94705956      4.58690464    -15.17943499
  H     14.72893352      5.20337677    -15.00992820
          69
 Energy    -249.68436075761207     
  O     16.85888937      8.90907529    -14.78907436
  H     16.44976418      9.53002430    -15.40176008
  H     12.63563832      8.57885858    -12.56686124
  O     15.20953364      7.70888864     -8.44449749
  H     16.44388801      9.01891601    -13.91932788
  H     12.56897035      9.27960655    -10.36401985
  O     15.76038817     10.91887477    -16.37323644
  H     15.90282958      7.57988279     -9.11485151
  H     11.04973016      9.07140706    -10.57041870
  O     13.26730340      6.38167819    -10.05626058
  H     15.60916837      7.53032949     -7.59729864
  H     18.76388009      5.16108450    -11.90618424
  O     16.74308721      6.15728937    -14.70077416
  H     16.31334793     11.56294302    -15.89276576
  H     19.77190858      5.58846586    -12.97474504
  O     19.49969875      8.82970939    -14.18519341
  H     15.77951487     11.16380312    -17.29389228
  H     16.90155176      6.47921598    -10.95618769
  O     19.62767102     11.53330292    -13.64878131
  H     12.71167734      7.11415736    -10.34881429
  H     17.84508505      7.68499529    -10.68833086
  O     19.43077566      8.19395787    -11.40270008
  H     13.88354901      6.75825778     -9.41655276
  H     14.56013333     13.78853258    -12.90897245
  O     14.10727976      4.45400078    -11.74889141
  H     16.79405135      7.11796004    -14.80923871
  H     14.52306498     12.33088380    -13.42863367
  O     13.72358631     11.11228843    -14.38193647
  H     15.79441978      5.96047250    -14.66627924
  H     18.53709345      5.98053274    -14.87001366
  O     14.06244145      5.92501947    -14.21949304
  H     18.56577985      8.92847922    -14.43414289
  H     19.82546446      5.50874137    -15.57629951
  O     13.23487228      8.51798579    -13.32137839
  H     19.74141916      7.93822047    -14.45918438
  H     16.11319306      8.35058676    -11.69552786
  O     11.90498398      8.75769638    -10.85098473
  H     20.48986913     11.91756755    -13.79174507
  H     15.75307669      9.84729758    -11.84136737
  O     19.66053552      5.50147815    -12.01992279
  H     19.69708942     10.59640429    -13.89548245
  H     16.59316550     12.80056427    -14.09281532
  O     16.98011638      7.31246833    -10.46989170
  H     19.65734655      7.25277370    -11.45212322
  H     18.02459131     12.26651558    -14.38051884
  O     15.07135985     12.98486724    -12.95743320
  H     19.44083597      8.49466652    -12.32064291
  H     15.65300544     12.01460401    -11.50238816
  O     19.50720513      6.04178132    -14.85170644
  H     13.62514683      3.65339851    -11.56049117
  H     16.86033450     11.28058094    -10.82094376
  O     15.74742263      9.00063280    -12.30678190
  H     13.78277943      5.12980521    -11.12698799
  H     15.93285009      4.74097291    -11.92837301
  O     17.20901155     12.56600913    -14.79888153
  H     13.44087041     10.23440653    -14.09689341
  H     16.81936081      5.45911566    -12.97377361
  O     15.89352506     11.34708213    -10.84735357
  H     14.27481105     10.98496382    -15.16388292
  H     18.97188874     11.25945035    -11.85916250
  O     16.82100918      5.08911347    -12.07967130
  H     13.96227947      5.38876134    -13.42375575
  H     18.95046708     10.03234626    -10.93900427
  O     18.60723667     10.92931974    -11.02924042
  H     13.67574123      6.78555226    -14.01169244
  H     14.54141164     10.56715683     -9.85385717
  O     13.85978643     10.00999419     -9.45514491
  H     14.12409289      8.63520651    -12.95146038
  H     14.32877746      9.29945923     -9.00003675
          69
 Energy    -249.68426732717288     
  O     11.39617803     11.35215625    -15.74405064
  H     11.66042522     10.63530572    -15.14162410
  H     14.51565444      8.36193581    -19.13542110
  O     13.75212237      9.90961590    -19.80755491
  H     10.63259919     11.77136990    -15.35634961
  H     14.76727912      8.52685997    -12.57944464
  O     11.27258142      7.14678917    -17.08726305
  H     13.40868460     10.05706150    -20.68448706
  H     14.79014110     10.08129683    -12.62102649
  O     13.20381879      7.57416797    -10.35901247
  H     12.98290953      9.87111888    -19.20803333
  H     16.64950153      7.63979178    -14.33830653
  O     14.19809125     11.69692050    -16.03289540
  H     11.03039054      6.99471690    -16.16537810
  H     17.44607551      8.89634843    -14.84315943
  O     18.06858692     10.93801126    -17.63805140
  H     11.98232154      6.52230955    -17.27598862
  H     15.59348927      5.48575804     -9.85199173
  O     15.59207877     11.60949600    -18.43336368
  H     12.39745801      7.21500570    -10.74805771
  H     14.44949898      6.34989120    -10.43930275
  O     18.13288367     10.65944031    -14.86063472
  H     13.48713147      8.31130714    -10.91772603
  H     14.08792660      6.21054828    -17.91820813
  O     13.08995390      4.32565899    -12.17123700
  H     13.24198975     11.80526117    -15.97187848
  H     13.66872392      4.72896149    -18.04623343
  O     11.71082878      9.69638668    -18.08385224
  H     14.35213417     10.74009814    -16.09485869
  H     15.54249295      6.44699681    -12.29350582
  O     14.51639858      8.92662739    -16.08351584
  H     18.69364944     11.35463638    -18.22562434
  H     14.87021343      6.47458316    -13.69572145
  O     14.84816487      7.64267939    -18.58487019
  H     17.18183004     11.20165616    -17.94548538
  H     11.72665352      5.35793062    -11.74408441
  O     14.30462290      9.31926201    -12.27145843
  H     15.00431893     11.06854941    -18.97370376
  H     10.37036246      5.63936177    -11.05492474
  O     17.01804302      8.07634936    -15.11875141
  H     15.09115764     11.83006263    -17.63555331
  H     12.72939814      6.04317386    -14.53047566
  O     15.10962601      5.66483579    -10.65307470
  H     18.98618619     10.95169076    -14.54847498
  H     13.70403545      5.49454066    -15.59700353
  O     13.61340161      5.48852413    -17.47170983
  H     18.12343510     10.80284151    -15.82083002
  H     17.73097265      9.03398151    -17.92724706
  O     15.52104693      6.92125491    -13.13325654
  H     13.83576732      4.60722315    -11.62633757
  H     17.39383922      7.91700188    -16.93607199
  O     11.06156183      6.04814073    -11.56966058
  H     13.31748738      4.56602169    -13.07945325
  H     12.96568642      9.37218597    -13.48877441
  O     13.59052070      5.61668497    -14.64732037
  H     11.51169887     10.30667015    -17.36684893
  H     13.09208700      9.05550318    -14.99205149
  O     17.44896358      8.11359681    -17.88237829
  H     11.49476748      8.80774194    -17.76341009
  H     10.94056417      6.62507998    -13.35038475
  O     12.44904325      9.27627921    -14.29985567
  H     15.36478393      8.66788828    -15.70192033
  H     11.49387624      7.78200881    -14.22542442
  O     11.12167066      6.88688276    -14.26083949
  H     14.48158785      8.52847670    -16.96022069
  H     16.51625279     11.18591249    -13.95059213
  O     15.62914843     11.33787571    -13.60609771
  H     15.79977391      7.77558990    -18.45056697
  H     15.10862784     11.62837963    -14.36641759
          69
 Energy    -249.68407505251548     
  O     14.57203017      9.38794711    -10.51402103
  H     14.61178104     10.17003776    -11.08422906
  H     13.40231645      5.09337890    -15.74462451
  O     13.31649242     11.70081867    -15.73452199
  H     13.72844595      8.95934086    -10.69800673
  H     17.55548234      2.55412136    -12.18104334
  O     17.24652958     10.78696103    -13.46285903
  H     13.51802934     12.43843355    -15.14486158
  H     17.05726662      3.85007875    -12.85924510
  O     13.70738014      5.78906833    -12.16567605
  H     12.98565740     10.99030740    -15.17122865
  H     17.78019783      7.60978425    -15.55459227
  O     16.92917135      6.15618943     -8.74716790
  H     17.82395214     10.55839068    -12.72525543
  H     18.39274595      7.02340536    -14.27169834
  O     16.73341044     13.02016100    -15.11483316
  H     16.35823100     10.90691869    -13.09876063
  H     15.25311239     13.55824115    -14.35256411
  O     15.81905481      7.52380666    -12.28844744
  H     14.53877720      6.29329449    -12.14955850
  H     14.26775061     14.61285139    -13.78944146
  O     14.64552279     11.27506928    -12.51445672
  H     13.62324110      5.45150710    -13.06548896
  H     13.48796947      8.98502051    -14.28304553
  O     18.59864590      7.44640824    -12.49654661
  H     16.92577793      5.82980048     -7.85059458
  H     12.48539264      9.12155217    -13.11358876
  O     18.77444422      9.95939903    -11.22787434
  H     16.30475351      5.59987321     -9.24508897
  H     15.42529499     11.62352619    -18.13106139
  O     16.61447554      4.57391633    -14.35122694
  H     16.47668729     12.57067424    -15.92982312
  H     14.74469487     11.48446230    -16.74867656
  O     13.87807610      5.31403258    -14.94827690
  H     17.09967582     12.33223964    -14.54221496
  H     12.67167960      7.18930025    -11.73405931
  O     17.28105975      3.44893434    -11.99971892
  H     16.78116432      7.45444635    -12.33199812
  H     11.42930045      7.82870898    -11.07462465
  O     18.07296967      6.78430768    -15.15405263
  H     15.58733942      8.18357088    -11.62523030
  H     15.97386962      4.05985115    -10.81825386
  O     14.38265350     13.67753979    -13.93055725
  H     14.52068351     12.17561208    -12.83734607
  H     14.63227231      4.81441305    -10.80032662
  O     12.86597638      9.59769169    -13.86030995
  H     14.02852891     10.71657912    -13.00991858
  H     18.43164215      4.68012745    -11.14485704
  O     15.59799331     11.42783189    -17.21400302
  H     18.82126270      6.73837038    -11.87269698
  H     18.33223351      5.65924918     -9.95942525
  O     12.24204445      8.03674774    -11.52912793
  H     18.82999252      8.28765888    -12.08825861
  H     15.17972771      7.74818291    -13.93432421
  O     15.34830729      4.50855533    -10.23227937
  H     19.51084252     10.37953203    -10.79181924
  H     15.47075052      8.34973202    -15.32338928
  O     18.88828720      5.41154063    -10.70817944
  H     18.19084452      9.61464326    -10.52754770
  H     16.15384319      9.15083665     -9.59918658
  O     14.79183937      7.89136058    -14.81212951
  H     17.13277476      5.30939119    -14.71169998
  H     17.05553594      7.97686303     -9.15994403
  O     17.07065763      8.90918731     -9.41063748
  H     15.70356022      4.71708061    -14.62367550
  H     17.10621862      9.78926617    -15.01039762
  O     16.89537685      9.33389413    -15.83916761
  H     14.16347589      6.23999970    -15.03787184
  H     16.53187727     10.00253904    -16.43231106
          69
 Energy    -249.68386650370974     
  O     13.81020476     11.29058015    -11.66680711
  H     14.68202832     11.46994765    -11.29483354
  H     18.65126727      5.69431652    -14.46439475
  O     14.83375357      6.32003189    -14.16076978
  H     13.96004375     11.15891803    -12.61279922
  H     18.50115527     10.42215260    -13.03302288
  O     16.76676852      6.16355319    -10.23583210
  H     15.23070861      5.57891493    -13.68822512
  H     17.67141996     11.44565740    -13.83154550
  O     18.89326991      8.61546874    -13.23248506
  H     15.32395831      7.10633387    -13.87341781
  H     15.94303248      8.58344305    -12.21011896
  O     12.42383596      6.45803012     -9.41247960
  H     16.45842178      7.08260549    -10.24562174
  H     17.03257061      8.59482285    -13.30665084
  O     12.43155218      7.19044275    -13.19184759
  H     16.17776304      5.68638727     -9.63812480
  H     14.66278954      3.76664011    -11.70232671
  O     15.79934961      8.71058671    -10.39403530
  H     19.06354165      8.17282185    -14.07525132
  H     13.15301078      4.00634560    -11.41107490
  O     17.08925446      8.82153904    -16.52890135
  H     19.08156341      7.97420911    -12.53574743
  H     11.38918452      9.19968050    -15.53714398
  O     11.52160424      5.09354413    -11.57681343
  H     13.24298296      6.05734446     -9.09929426
  H     12.20889562      8.36507160    -14.52767915
  O     19.01717916      7.18979856    -15.62796563
  H     12.64707598      7.33086463     -9.76415452
  H     19.95158491      6.33122939    -10.73294225
  O     14.54205916      7.70764718    -16.57520918
  H     13.26275794      6.82895552    -13.53827704
  H     18.41566237      6.36563652    -10.89065407
  O     18.55807974      5.05604666    -13.74688752
  H     11.99392756      6.46745613    -12.72602011
  H     16.32769136      5.11240532    -11.75180197
  O     18.05645625     11.27808542    -12.96315409
  H     16.09562562      9.62967006    -10.37073466
  H     16.97607721      4.55059055    -13.03394481
  O     16.07977973      8.53932958    -13.16478613
  H     14.83288077      8.71247107    -10.46666769
  H     14.45572034      4.31194705     -9.56887031
  O     13.95212745      3.58848706    -11.07045526
  H     17.00802199      9.73931055    -16.25115507
  H     14.74449086      4.26515392     -8.04852384
  O     12.27929639      9.00780761    -15.25348404
  H     16.19092562      8.47315590    -16.62685643
  H     15.82947136     11.25085883    -15.11446177
  O     19.25428122      6.53051185    -11.35289032
  H     10.67878913      4.67537693    -11.42122739
  H     16.54852215     12.26846444    -16.03053478
  O     16.15889200      4.54199790    -12.51377867
  H     11.76366767      5.55531216    -10.75302296
  H     13.18841750      9.68610935    -11.12562320
  O     14.75581711      4.84222655     -8.80762033
  H     18.30716395      7.74083589    -16.00582749
  H     12.86275812      8.28060141    -11.72141254
  O     16.69454196     11.50167454    -15.48189172
  H     19.66423488      7.07103288    -16.31810577
  H     16.90784573     12.05507370    -10.13554828
  O     13.09724752      8.74615142    -10.90789343
  H     13.73207862      8.17325445    -16.34389838
  H     17.08130104     11.38923531    -11.51923409
  O     16.53326733     11.39644570    -10.71443226
  H     14.65530560      7.04813171    -15.87609702
  H     15.01834235      9.78666726    -13.92301486
  O     14.45970467     10.49045719    -14.29001204
  H     18.93554192      5.48352620    -12.96843164
  H     13.68804821     10.06582978    -14.68376332
          69
 Energy    -249.68381391291879     
  O     13.62088394     10.96258992    -10.28655285
  H     13.07148131     10.18982037    -10.10072628
  H     12.12113482     13.43314970    -11.65898890
  O     12.57360885      9.24388053    -14.45175154
  H     13.12043824     11.50024298    -10.91380428
  H     11.63069435     12.41060818    -15.51084113
  O     15.73302368      9.69784226    -11.64934483
  H     11.91908518      9.52970178    -13.79564569
  H     11.43066332     12.93405899    -14.07014341
  O     16.78103382     16.21736945    -12.57763367
  H     12.37873669      9.72944972    -15.26346966
  H     14.38545526     13.53476991    -14.06662192
  O     12.02191593      8.65767772    -10.26483248
  H     16.56627009     10.18255101    -11.59290138
  H     14.81794534     12.02681686    -13.90263376
  O     13.68556561      7.75708725    -12.21951807
  H     15.07932561     10.18239632    -11.12480336
  H     17.09196020     15.36205852    -14.27724233
  O     15.12464285     10.22720779    -14.27513366
  H     15.81190109     16.32738536    -12.57902651
  H     17.58080137     14.01526486    -14.87416022
  O     12.51572950     14.93864210    -10.63822199
  H     17.15494474     17.06225152    -12.34435508
  H     13.11491882     11.37179477    -16.86487426
  O     13.56081139     14.93420269    -14.96916175
  H     12.59055676      8.22636036    -10.92832984
  H     11.77749333     10.85532411    -17.44426445
  O     14.66504870     12.05926767    -17.23933699
  H     11.68703304      7.96928281     -9.69727301
  H     18.77758384     11.44198559    -11.24926951
  O     15.38022380     14.78697097    -17.08870249
  H     13.34674058      8.08069601    -13.06383632
  H     17.50012442     12.23763651    -11.60948109
  O     12.19326789     12.61510485    -12.16740095
  H     14.50427217      8.24074611    -12.04972015
  H     18.16951983     11.93084179    -13.66239560
  O     11.43882856     13.20338139    -14.99383685
  H     14.22995404      9.87607010    -14.38298529
  H     17.85944868     11.72203383    -15.16308196
  O     14.61177613     12.84274070    -13.43113908
  H     15.40406944     10.02151435    -13.37260465
  H     17.19634065      9.70695416    -16.63291599
  O     17.16701632     14.86247642    -15.09646252
  H     13.23673964     14.49794477    -10.15304600
  H     16.26298122     10.33602586    -15.56857418
  O     12.24878758     10.99511797    -16.62654221
  H     11.99091009     15.40475593     -9.99273325
  H     16.70978534     14.54797665    -11.80332598
  O     17.97115556     11.39868714    -11.75761190
  H     14.06077621     14.96450356    -15.79303727
  H     15.80311379     13.36456222    -12.21574915
  O     18.20162968     12.35912332    -14.52370965
  H     12.75253237     14.41851464    -15.10837522
  H     11.09674006      9.63603023    -11.66100618
  O     16.88577141     10.54104436    -16.28991606
  H     15.47637696     11.57698194    -17.04140144
  H     11.20674142     11.03207671    -12.30975134
  O     16.45614991     13.65004451    -11.55659671
  H     14.90382858     12.99417861    -17.25789250
  H     13.83129391     15.93304948    -13.47834849
  O     10.89045091     10.13198847    -12.46256892
  H     16.07036261     14.83368279    -16.39971758
  H     13.52192348     15.92170716    -11.96156214
  O     14.08885866     16.32202557    -12.62940121
  H     15.63975500     15.38722980    -17.78165916
  H     14.28275328     12.58973996     -9.54485325
  O     14.53496422     13.52119332     -9.50437174
  H     13.03757875     12.66283630    -12.64384777
  H     15.28698305     13.61400547    -10.10516322
          69
 Energy    -249.68363125278910     
  O     17.15542793     10.57414470    -14.84491975
  H     16.58437404     11.32264030    -14.63346069
  H     16.20026214      6.37820154    -10.20846443
  O     14.75202902      6.28728959    -11.41957097
  H     17.46752345     10.24809162    -13.98856979
  H     11.55038640      7.76611578     -8.19562682
  O     11.33857291      8.88753189    -13.22936488
  H     15.11567898      6.16505932    -12.30700573
  H     12.66735676      8.50681248     -8.96585781
  O     13.08169666     12.02226723     -9.87019946
  H     13.78969150      6.33976875    -11.49307880
  H     16.30505593     11.99539322    -10.71519916
  O     18.33681883      6.78542158    -12.44208367
  H     12.12983282      9.41199084    -13.43065203
  H     14.77884704     12.29700462    -10.71458569
  O     13.47289290      6.94830741    -16.55058649
  H     11.10029050      8.42184581    -14.03975592
  H     14.98619723      8.07134920    -11.50408110
  O     16.03485193      6.26210455    -13.91296220
  H     12.38836975     11.47217697    -10.27626526
  H     15.97810115      9.23523372    -11.80898998
  O     13.68063547     10.21888421    -13.58027337
  H     12.63676673     12.76445319     -9.46871308
  H     11.43547720      5.79168806    -14.44441920
  O     16.83326074      9.01439087     -8.43011557
  H     19.09445806      6.33245845    -12.80437235
  H     11.85936309      5.52879251    -12.99027044
  O     14.20577050      4.53821614    -15.12824940
  H     17.57640684      6.53801031    -12.99407697
  H     11.20375448      9.54839115    -10.16017715
  O     14.11740257      9.56017852     -9.02610587
  H     14.13866416      7.57765981    -16.24029226
  H     11.07756316      9.90528422    -11.65016061
  O     17.06009890      6.62781355     -9.84396247
  H     13.76695135      6.08402448    -16.23996208
  H     11.79698644      7.49433052    -12.14195576
  O     11.81771498      8.04548730     -9.06752900
  H     15.81527428      7.09806809    -14.35115028
  H     11.87610992      7.05653720    -10.66104035
  O     15.60394744     12.45727404    -11.18877342
  H     15.52310772      5.57400393    -14.35742977
  H     11.85242495      7.23931909    -15.96383640
  O     15.06968109      9.03317759    -11.55011323
  H     14.12403293      9.85161511    -12.79869021
  H     10.33280036      7.32070793    -16.24142588
  O     11.87374076      5.14541163    -13.87642344
  H     14.10029727     11.06748713    -13.76465690
  H     18.48381595     11.49162689     -9.46949171
  O     11.16362426     10.29422446    -10.77056034
  H     16.96061813      8.14746333     -8.84415528
  H     17.48507906     10.31587186     -9.34612672
  O     12.02199056      6.75011796    -11.56403639
  H     15.88030973      9.16239849     -8.40114190
  H     14.62280418      9.07953087    -14.69399227
  O     10.97796245      7.30510483    -15.53957300
  H     14.19230521      3.63124995    -15.42165004
  H     16.03345599      9.21108840    -15.27204224
  O     17.79797817     11.02387921     -9.93817930
  H     13.37759320      4.68605544    -14.63661404
  H     15.43325110     12.54924621    -12.91519666
  O     15.28611278      8.59992761    -15.20759265
  H     14.49101231      9.36906096     -9.90198180
  H     15.13092860     13.42733464    -14.15247282
  O     15.25771922     12.52472939    -13.87333980
  H     13.79050002     10.46624877     -9.08641320
  H     17.93404063     10.01551329    -11.49143521
  O     17.71969071      9.53621996    -12.30247106
  H     17.65268622      6.61720418    -10.60363873
  H     18.08211657      8.64288868    -12.25309284
          69
 Energy    -249.68230200230283     
  O      0.05640520      6.35088810     19.99959720
  H      0.97827807      6.14071152     19.76659782
  H      1.62197695     12.15818799     19.72555372
  O      5.00258952      9.93438024     19.60730961
  H     -0.38424107      5.52077881     20.16091878
  H      5.38486686     11.55917636     17.17611313
  O      1.39405322      7.81760120     15.56874628
  H      4.11899778      9.53908104     19.53849713
  H      4.34362755     10.49039080     16.72550098
  O      3.15085685      8.56793577     22.54845835
  H      5.19879069     10.29987960     18.73649885
  H     -0.94216937     10.71872544     19.45803911
  O      2.91269478     14.71967145     20.41371957
  H      0.72559904      7.83099141     16.27958778
  H     -0.16483136     11.20135006     18.22429822
  O      4.71558710      6.45783851     21.25334866
  H      0.93351821      7.59612722     14.76444237
  H      1.82613377     11.56378363     17.38722030
  O     -0.37539926      7.94662986     17.59751789
  H      3.74683301      7.92471585     22.14747576
  H      1.82677778     13.08780053     17.70435943
  O      2.87061861     14.64217147     17.70179168
  H      3.55794048      9.43723900     22.45145077
  H      4.51420871     13.65913939     17.82401533
  O      2.48845015      8.90541400     19.24597542
  H      2.37362029     13.95026395     20.64413069
  H      5.42443565     13.22948817     18.98697183
  O      2.67513736      6.08884645     19.36075197
  H      3.81471874     14.48102315     20.66233547
  H      3.19943598     11.54562368     21.47197767
  O      0.65533437      8.69760852     21.43757405
  H      5.16743158      5.84084074     21.82351367
  H      4.49200002     10.79652778     21.03839252
  O      1.67568322     12.19937774     20.69133348
  H      5.37455727      6.78039049     20.61288626
  H      2.51125702      9.65714381     17.62917075
  O      5.28665270     10.63690047     16.89485294
  H     -0.57333651      8.84671939     17.89828720
  H      2.18934590      9.40725661     16.14641576
  O     -0.79081552     10.53061897     18.52506328
  H     -0.33148294      7.39780509     18.38633218
  H     -1.42124069     11.02808154     22.05656046
  O      1.38855518     12.25273345     17.90684818
  H      2.85098020     14.78542435     18.66548091
  H     -0.30119245     10.13211972     21.46974601
  O      5.28324660     13.11781778     18.03991094
  H      2.72378460     15.49050384     17.29258534
  H      6.03349870      8.43408352     19.60329178
  O      4.06469953     11.24341605     21.78771607
  H      2.57955846      7.94570185     19.18698372
  H      6.37080936      7.48514150     18.45918722
  O      2.58537060     10.05098516     16.74481401
  H      1.81447040      9.06882823     19.91437610
  H      6.20203624     13.71844432     21.46656429
  O     -0.75831599     10.98783158     21.37315501
  H      3.38925961      6.09839109     20.01000381
  H      5.01989440     12.73416312     21.34675496
  O      6.37193110      7.54461687     19.42031426
  H      3.05587326      6.09212763     18.46770349
  H      5.84233019      8.94261791     16.65033001
  O      5.43908714     13.50658250     20.93430763
  H      1.48563758      8.57788093     21.92471975
  H      6.66646645      7.88844815     15.88439136
  O      6.02110653      7.99022578     16.58004977
  H      0.38694148      7.85153019     21.05895838
  H      2.88790050      6.91151732     16.33118957
  O      3.58698281      6.49676891     16.85220992
  H      0.81949116     11.90606640     21.02502063
  H      4.39508473      6.99896909     16.69438913
          69
 Energy    -249.68211175047108     
  O     17.08487362      9.96932105    -10.95316885
  H     17.62830233     10.67267730    -10.57725925
  H     15.38822614     11.82760583     -7.59183797
  O     14.02557659      6.51759330     -5.88369805
  H     17.66706765      9.20943651    -11.09998581
  H     12.76085708      9.93224867     -5.75165155
  O     18.86594758     11.62025555     -9.51789592
  H     13.99335179      5.61873532     -5.56641247
  H     12.70642708     11.14393677     -4.78757365
  O     12.06034428      8.50453006     -6.42969256
  H     14.42183627      6.48895031     -6.77072507
  H     17.19594309      4.98281478    -10.66577243
  O     14.54617696      9.24938016    -11.81025999
  H     19.49455375     12.27661254     -9.80769806
  H     17.32387080      5.14884711    -12.19560467
  O     18.69870639      7.73677780    -11.15510228
  H     19.37056474     10.80428010     -9.34971774
  H     14.45623438      6.62169935     -9.15237487
  O     20.10271901      9.21092139     -9.22255413
  H     12.62958425      7.75121769     -6.22885111
  H     15.35900949      7.60428018     -8.38799178
  O     17.69281240      6.05736196     -9.15334275
  H     11.82914908      8.43678234     -7.36437879
  H     18.28869008      6.31246332    -14.36103120
  O     11.48535884      8.35446544     -9.19359578
  H     15.44347824      9.55288495    -11.61581066
  H     17.01801741      6.79711163    -13.62016519
  O     17.17220983     11.98499456     -7.22592511
  H     13.95637071      9.83918232    -11.31667826
  H     15.01464437      8.02682663    -13.16199941
  O     12.98358797     10.69420138    -10.06189147
  H     18.33256180      7.14033504    -10.48593387
  H     14.85502335      6.50035984    -13.33527074
  O     14.50305023     11.48449694     -7.78853739
  H     18.55470258      7.32162194    -12.01403471
  H     15.31532570      9.96265162     -8.29820175
  O     13.27678591     10.67722989     -5.39249066
  H     19.80210707      8.70641728     -9.99099741
  H     16.30015125      9.45853759     -9.39035707
  O     16.84624074      4.66729399    -11.50793643
  H     19.94454805      8.63513643     -8.46584992
  H     14.91198413      7.98437960     -4.99091737
  O     15.06927398      6.67616135     -8.40902385
  H     18.26074797      6.38554732     -8.44478290
  H     14.68912081      9.49764294     -4.82226958
  O     17.91556955      6.43966682    -13.49330748
  H     16.78027370      6.19700389     -8.86352136
  H     13.58051026      6.24098189    -11.19467534
  O     15.33941983      7.26723811    -13.66368455
  H     10.62735100      8.23394329     -9.59455226
  H     13.84715537      7.76603170    -11.01927801
  O     15.88553871      9.22389702     -8.55158040
  H     12.10720688      7.80668972     -9.70001066
  H     19.81052031      7.05189122     -6.46346847
  O     15.33799806      8.79562034     -4.68865110
  H     17.74690167     11.96191121     -8.00127485
  H     18.66056481      8.04008135     -6.77003859
  O     13.41214073      6.99721558    -10.61912584
  H     17.40783041     11.20198308     -6.71364464
  H     16.99708238      9.26854523     -7.14195909
  O     19.25446568      7.37814383     -7.16643125
  H     13.44826057     11.10369733     -9.32013449
  H     16.83652053      9.10187558     -5.61616240
  O     17.49467733      9.25654499     -6.30987364
  H     12.39457694     10.03452123     -9.67890943
  H     13.93926030      4.13794794    -12.65844371
  O     14.26443542      4.95829700    -12.29817182
  H     14.07032527     11.30468296     -6.94379864
  H     15.16631087      4.78577908    -11.97253425
          69
 Energy    -249.68186884655785     
  O     15.15876071      6.03349834    -13.81804988
  H     14.57119422      6.23736075    -13.07550241
  H     19.86023989      6.16222703    -15.67506838
  O     18.10468002      9.13205000    -11.91220467
  H     16.06290323      6.05830139    -13.47314313
  H     15.26199958      7.77688910    -14.21094137
  O     18.63241073     10.60511611    -15.81833385
  H     17.47327847      9.80835892    -12.19081280
  H     14.52800031      9.03002716    -14.77986246
  O     11.50177164      7.33131970    -15.68829343
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  H     10.89844929     10.83245980    -12.43050819
  O     13.64268712      7.01822397    -11.71887568
  H     19.24795601     10.29910672    -15.13729314
  H     17.58523978      6.84184439     -9.70966096
  O     16.11154764     10.78570348    -12.94298117
  H     10.83061445      7.04520317    -16.30176860
  H     17.45472801      6.01929043    -11.00811673
  O     15.22689306      8.23095090    -18.09423343
  H     12.32720073      6.88152792    -15.94428541
  H     11.95304183      7.28920018    -12.44850252
  O     14.63654069      6.01637383     -9.32005263
  H     14.70950660      9.24895136     -9.65413440
  H     11.22339888      7.42523694    -13.80834708
  O     17.36588987      8.11420141    -16.33068012
  H     14.84420932      7.90066459     -8.91079414
  H     20.06093860      8.38243852    -14.25072296
  O     13.89331668      6.29290803    -16.35308154
  H     13.86747487      7.95442742    -11.62420442
  H     19.53404802      9.27174847    -13.11570814
  O     19.36452781      6.70839338    -15.07066597
  H     13.88448434      6.59009583    -10.88752991
  H     17.78937377      7.43858893    -12.51704362
  O     15.38211780      8.69786571    -14.47488453
  H     16.25583336     11.47104168    -13.60435411
  H     18.34708192      6.41365296    -13.52742255
  O     11.66276409     10.31700490    -12.67290751
  H     15.88948228      9.99210176    -13.46055112
  H     18.27528898      9.01326530     -8.39165758
  O     17.23929881      6.01417562    -10.06650011
  H     15.06475031      8.24889517    -19.03363554
  H     16.87245445      8.80264922     -9.01395996
  O     11.17154193      7.66749058    -12.87528501
  H     15.05747810      9.13212119    -17.76535190
  H     13.96823491     10.52635992    -16.45584147
  O     20.12240757      9.27141586    -13.88311707
  H     14.44536188      5.29592284     -8.72628436
  H     15.32973366     11.24697083    -16.51407832
  O     17.71060938      6.51803573    -12.80981389
  H     15.57175844      5.92912827     -9.58049100
  H     13.24055232     10.08608798    -11.69186659
  O     17.82722841      8.68278742     -9.16530828
  H     16.75913497      8.37150639    -15.61991731
  H     14.78066213     10.24051228    -11.80837520
  O     14.72489242     10.70321317    -17.03214993
  H     16.80746762      8.05338874    -17.11426764
  H     17.34248222     11.70304339    -15.52439133
  O     14.07956028      9.78875832    -11.31898499
  H     14.41380347      6.07656899    -15.56781912
  H     16.76390699     13.13613991    -15.56739443
  O     16.54323123     12.23444271    -15.34943913
  H     14.41992588      6.88362045    -16.90395715
  H     12.33368503      8.97617845    -15.43522256
  O     12.85929475      9.74813333    -15.18616204
  H     18.68229063      7.16131207    -15.59565640
  H     12.47809169     10.08962689    -14.36849664
          69
 Energy    -249.68159485391803     
  O     17.86179037     10.67968263    -17.18014301
  H     17.67171249      9.95575577    -16.56132863
  H     18.33848096      5.22207758    -12.15951422
  O     15.75868555      5.61290561    -14.41248727
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  H     16.73224070      8.76027931    -14.80432771
  O     17.13226934     13.60501472    -11.21708057
  H     16.44289411      5.70189898    -13.74030746
  H     17.38813939      7.75893867    -15.79793268
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  H     16.23042798      5.62966217    -15.25870751
  H     15.03331274     11.47127098    -15.87149868
  O     16.09417454      7.26152298    -18.98883263
  H     17.65356462     13.11278759    -10.57024223
  H     16.01091757     11.11972779    -17.01319736
  O     16.06359120     10.35729193     -9.79239970
  H     17.48965424     13.36555445    -12.08279226
  H     17.32824302      7.50983492    -11.86033604
  O     15.35027218      9.09344845    -13.67192665
  H     19.72345766      9.68846259    -13.36814477
  H     16.31854233      8.59680627    -12.30718731
  O     17.97228678     12.30809260    -13.59009532
  H     19.08567478      9.08701420    -14.65417798
  H     14.05226652      8.07913806    -16.55059089
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  H     15.44439340      7.74417182    -18.44361743
  H     14.53824748      9.42573386    -17.15684770
  O     13.65333599      7.25384428    -14.85815688
  H     15.63547936      6.97841617    -19.77446514
  H     18.71024868     11.72643639     -8.58632554
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  H     16.25408181      9.57276211    -10.32362070
  H     17.55496715     11.21799267     -9.48486370
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  H     18.92883611     10.78032764    -11.03438720
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  H     15.19437780     10.03339861    -13.83239664
  H     15.50426881     12.93113099    -11.22457282
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  H     18.25766430     11.59362938    -13.00187770
  H     13.99203059     12.96065702    -10.89886461
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  H     19.56377335      7.21292324    -17.78353451
  O     18.39808997     11.70827586     -9.48655160
  H     20.24481926      7.54734674    -14.28389297
  H     20.55198285      6.02715211    -17.84629416
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  H     20.07988633      6.47946471    -15.36874935
  H     14.89045772     12.07030670    -13.13203814
  O     14.67576045     12.42258861    -11.29001281
  H     12.82478698      6.83132693    -14.64992553
  H     16.19937088     12.03379645    -13.95011958
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  H     14.35723684      6.60412987    -14.67582753
  H     20.79158282     12.17243600    -15.80893946
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  H     18.14088126      6.01288776    -16.90451907
  H     20.07070961     10.96014231    -15.17132171
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  H     16.76740736      6.37823229    -17.52378844
  H     18.49408186      9.30321719    -18.30762020
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  H     17.81456994      8.07485204    -18.92895558
          69
 Energy    -249.68151987402797     
  O     18.01595721      9.75070950    -11.28961029
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  H     12.67484228      9.28254276     -8.45349063
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  H     12.94909268      7.39104209     -6.21940293
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  O     18.10028322      3.30073296     -8.83115873
  H     16.67465675      9.39571605     -7.40655720
  H     18.56515020      2.47991684     -8.97052378
          69
 Energy    -249.68132369887024     
  O     -3.74198953      1.57882255      4.65842174
  H     -4.32280233      2.32844354      4.85029083
  H     -4.49652437     -2.04822215      2.38071758
  O      0.68910950      4.75549906      0.96764414
  H     -4.22214419      0.78211519      4.91853928
  H     -2.68449493      3.53444338      0.62372541
  O     -0.70435465      0.10938694      1.64967046
  H      0.79279585      3.96881013      0.40298113
  H     -3.61467576      2.29933996      0.66773884
  O     -5.58587405      0.71757454     -1.35829248
  H      1.21029175      5.44868153      0.57146443
  H     -6.76584106      3.02879426      0.84567618
  O     -3.42568304     -0.92626695     -1.37575821
  H     -0.92173549      0.43476805      0.76358299
  H     -6.09247449      3.88160726     -0.23954138
  O     -4.25407849      1.14576927      1.90828006
  H      0.25557091      0.16879020      1.72935568
  H      0.23942784      1.94547956     -0.76897707
  O     -7.17838515      1.39664098      4.10082469
  H     -6.16721157      0.77816543     -0.59292054
  H      1.45067806      1.83124300      0.17819516
  O     -7.51866989     -1.47887498      1.35413691
  H     -5.47110141      1.62435553     -1.67018456
  H     -5.83807416      4.29883678      5.55521052
  O     -1.31577801      2.18211888      3.47959219
  H     -4.21855721     -0.36047490     -1.38848207
  H     -5.30232058      4.11472923      4.11421086
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  O     -6.91648269      1.16070524      1.21614272
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  O     -5.33774591     -2.22325899      2.82195600
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  O     -6.41103715      3.90942226      0.66965715
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  H     -5.90395045     -0.88295569      5.92366628
  O      1.00094736      2.43225372     -0.42887399
  H     -6.76611559     -1.82359553      1.86466495
  H     -6.20719995      0.10387971      4.76969008
  O     -5.61218296      3.63793407      4.90714030
  H     -8.15977538     -2.18265537      1.31421710
  H      1.21904442      3.72638868      2.53578172
  O     -1.92697305      4.44604972      1.95856300
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  H      0.45924743      2.77572334      3.47812610
  O     -4.70638140      4.79802849      2.68944564
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  H      2.86495467      0.44410194      1.95772067
  O     -5.54657526     -0.52413443      5.11537939
  H     -4.73014393      4.04684498     -2.49681934
  H      1.87714621      1.58472772      2.30598837
  O      1.34653644      3.01316642      3.17309954
  H     -4.29566864      3.33048445     -1.19422820
  H     -3.18005503     -1.32019515      0.43937835
  O      2.01790599      0.81429317      1.72618719
  H     -5.98314076      1.14612112      1.48481021
  H     -2.18146807     -1.00546235      1.59171793
  O     -3.07207520     -1.33023104      1.40011083
  H     -7.23967860      0.24602669      1.24368176
  H     -1.99026200      1.73720043     -0.63639039
  O     -1.40311427      1.01455813     -0.90771182
  H     -5.33681377     -1.70240851      3.63444126
  H     -1.98065633      0.30918040     -1.22173813
          69
 Energy    -249.68121427434929     
  O     12.04518237     10.84144434    -14.98264103
  H     12.05376553     10.35632547    -15.81670724
  H     14.21400389      5.96824350    -15.79592468
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  H     12.77665332     11.46819423    -15.02468053
  H     20.53575532      6.83478425    -13.65752235
  O     17.24313227     10.06773079    -11.34027212
  H     15.05494428      6.56004804    -12.66648339
  H     19.26912278      7.41942910    -14.32620482
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  H     15.77672701      9.95321449    -15.74359430
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  H     16.56608401     10.40643395    -11.94253577
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  H     15.53190375      7.96460090    -14.22657098
  O     13.84901693      6.98723797    -11.33945678
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  H     14.27175175      8.31214137    -15.02979163
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  H     11.40918360     10.26065820    -13.46329955
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  H     10.20115913     10.28858370    -12.49862075
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  O     15.07955793      8.69606812    -14.66521022
  H     14.86221924     11.55938075    -13.47574041
  H     17.61954660      8.28989100    -11.44068780
  O     11.06991562      9.91427181    -12.61862040
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  H     15.32343486      8.32063848    -18.04722080
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  H     16.76315862      6.27860447    -18.31611926
  H     15.26832702      9.80942068    -17.68181411
  O     19.36157004     10.17283204    -13.19104393
  H     15.98653499      6.34339065    -16.98192560
  H     13.98886571     10.18481612    -11.63159830
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  H     16.71230283      6.77896610    -10.14655432
  H     12.51012834      9.83054081    -11.41257257
  O     14.79345038      9.11911469    -18.16328501
  H     16.31466488      5.95129760     -8.90412351
  H     14.99178725     11.96355458    -15.57433286
  O     13.38735320      9.73170472    -11.02250556
  H     17.81604556      7.52810096    -16.43773399
  H     14.50180044     13.41467196    -15.34690436
  O     14.37267619     12.51361091    -15.06348912
  H     18.57166713      8.79152674    -15.95675797
  H     11.62111211      9.32691419    -18.14214153
  O     12.19577735      9.30144502    -17.38175697
  H     15.41183954      5.62767643    -14.89521107
  H     13.10659231      9.23782274    -17.72124248
          69
 Energy    -249.68072766383244     
  O     -4.62048774      0.28866186      1.24182705
  H     -4.49535915     -0.06728656      2.13708642
  H      0.90426533     -4.89199809      0.51839542
  O     -3.86735288     -2.19205816      6.17348732
  H     -5.23232462      1.01651674      1.31974670
  H      1.78097984      0.15887798      3.71967768
  O     -1.32343381     -0.22612626      3.78686380
  H     -2.89542762     -2.20202062      6.15505319
  H      2.28108572     -1.11823706      3.02807918
  O     -3.99450140     -0.86902195      3.65654019
  H     -4.12108630     -2.01089346      7.07526048
  H     -1.16566315     -2.71858691      1.66908086
  O      1.65443740     -2.48147905      5.81635808
  H     -0.72356467      0.52223306      3.69694946
  H     -1.19508141     -1.29474169      1.00876347
  O     -4.17135343     -4.71776341      4.75632723
  H     -1.09025800     -0.84179610      3.07200951
  H     -2.84117138     -4.09361019      1.83052128
  O     -1.13655077     -2.16443460      5.74912126
  H     -3.07907387     -0.55040012      3.68235424
  H     -1.66083250     -4.56923970      2.70286874
  O      1.36817030     -4.99243566      4.39772766
  H     -4.15920487     -1.25694576      4.52407587
  H      2.13543683     -1.51884948      0.57676412
  O     -2.09134824     -0.01523313     -0.02767638
  H      1.88723078     -1.81292022      5.14732517
  H      1.00472994     -1.94683350      1.53267453
  O      2.40017325     -4.64218183      1.75986516
  H      2.30602194     -2.41393551      6.50954239
  H     -4.29216646     -2.52740153      2.72513611
  O     -0.01452550     -2.51851826     -1.63944093
  H     -4.21037393     -3.95253234      5.34179920
  H     -4.52529339     -3.99351276      3.11783395
  O      0.14423244     -4.78742450     -0.06418629
  H     -3.23333250     -4.94853234      4.70689179
  H      2.42359748     -0.56179850     -1.82680827
  O      2.23564307     -0.67441715      3.88612356
  H     -0.19959684     -2.31365143      5.92833980
  H      1.18274868     -1.33505788     -1.31811927
  O     -0.77532217     -1.83484768      1.69035512
  H     -1.17042324     -1.43632003      5.11115122
  H      0.60615595      1.50151717      2.17410203
  O     -1.90919822     -4.34190765      1.79494466
  H      1.57864171     -4.16960269      4.85566664
  H      0.88402788      2.54132243      3.28377741
  O      1.96865634     -1.95652610      1.41992146
  H      1.75124434     -4.92412029      3.51430693
  H     -0.51783228      0.92189218      0.25479348
  O     -4.47730848     -3.39933728      2.35442048
  H     -2.29239941     -0.55872916     -0.80102227
  H      0.96178306      0.66207786     -0.06496537
  O      1.86809819     -0.68823212     -1.06312186
  H     -2.93282123      0.18391425      0.40063085
  H     -3.52834919     -2.14119076     -1.36185966
  O      0.67891422      1.62189445      3.13854178
  H      2.33439807     -3.68128316      1.62828111
  H     -3.17844796     -1.92389145     -2.84914449
  O      0.37881966      1.20916679      0.47483531
  H      3.27244370     -4.90091566      1.47170910
  H     -1.34168739     -3.84547789      4.88786908
  O     -2.80559340     -1.90899168     -1.97129348
  H     -0.95301037     -2.39890424     -1.81542548
  H     -0.41971633     -5.00270056      4.46673283
  O     -1.34624456     -4.71989926      4.47902654
  H      0.06779935     -3.34480688     -1.13919602
  H     -4.80091609     -2.81373403      0.60757125
  O     -4.80827752     -2.22807708     -0.16123860
  H     -0.63037072     -4.78641327      0.51472121
  H     -4.90989073     -1.34191289      0.20595625
          69
 Energy    -249.68056035717407     
  O     -8.27395085     -2.13178039      5.67053528
  H     -7.47887214     -1.67769195      5.97389438
  H     -4.46963446      0.92537895      1.54841793
  O    -10.22176247     -2.36431271      2.40216553
  H     -8.90440846     -1.45433732      5.39211765
  H     -6.99696010     -0.48294955      2.97436423
  O     -8.15072921     -3.88975262      3.62930736
  H     -9.60056941     -3.01632381      2.74591687
  H     -7.11691454      0.74591355      3.95163851
  O     -5.60475526      0.97841759      0.07653668
  H    -10.27621842     -1.67500413      3.07985587
  H     -5.25162835     -0.96772262      5.58619928
  O     -6.69776732      1.64085219      5.49532724
  H     -8.12101757     -4.79163774      3.93566171
  H     -5.26503832     -1.12105041      7.12711722
  O     -4.82117487      5.49872154      0.86362327
  H     -8.19171889     -3.32280523      4.42225015
  H     -0.85420283      2.65237790      1.25746092
  O    -10.41509580      1.71268452      0.83882668
  H     -5.97736164      0.12364391     -0.16106331
  H     -2.07366231      3.39695462      1.85439415
  O     -4.43330097     -1.11512527      4.06636376
  H     -6.35835701      1.50805905      0.38291581
  H     -8.09262726      2.82071103      4.98457926
  O     -3.99498413      3.25414572     -0.45056462
  H     -5.92853787      2.12406689      5.15722247
  H     -8.10024296      3.90551120      3.89179910
  O     -9.91684709     -0.30433145      4.24593929
  H     -6.37628830      0.86444183      5.96913165
  H    -10.16744487      2.68063580      3.92336776
  O     -7.09165898     -1.46256797     -0.29394348
  H     -4.57538476      4.72079300      0.33168537
  H    -11.71098916      2.74447727      3.91780962
  O     -3.86364481      0.99568030      2.29855470
  H     -4.84309389      6.24271913      0.26768845
  H     -6.57350132     -2.01927688      1.42941047
  O     -7.47135375      0.33807586      3.14950583
  H    -10.68855135      1.81558144      1.75991402
  H     -6.95787371     -2.81884525      2.71605939
  O     -5.80021808     -0.85520369      6.38415757
  H    -10.28534346      0.77029139      0.68186223
  H     -9.99030073     -1.56340421      0.90951922
  O     -1.80610869      2.64151805      1.30015040
  H     -4.98612533     -1.63682764      3.46833142
  H    -10.52733072     -1.27676534     -0.51332538
  O     -8.67686352      3.39856916      4.47626336
  H     -4.10711163     -0.38231806      3.52823152
  H     -3.42777322      4.18432530      3.41484449
  O    -10.97169480      2.21866414      3.62424191
  H     -3.16973495      3.01759492     -0.00886983
  H     -3.46867341      5.11041440      2.18856826
  O     -6.36126347     -2.14634712      2.36148118
  H     -4.54154610      2.45816310     -0.43144028
  H     -4.49629852      2.28227150      3.44573313
  O     -9.82120557     -1.06094525      0.09155995
  H    -10.44431655      0.49853386      4.16799673
  H     -5.48146646      3.48472769      3.55671881
  O     -2.86311182      4.65638994      2.78834489
  H     -9.07148396     -0.09341024      3.81869332
  H     -7.66661214      1.56776266      1.90478597
  O     -4.79744700      2.99011368      4.03350258
  H     -7.02002131     -2.02017983     -1.06563421
  H     -8.68304756      2.19674352      0.92386521
  O     -7.75496541      2.21973232      1.19075542
  H     -8.03500193     -1.25973677     -0.18554606
  H     -6.17923009      4.87956511      2.00955048
  O     -6.75097132      4.35292829      2.58075472
  H     -3.06584734      1.43031848      1.97165229
  H     -7.13539760      3.66032338      2.02043846
          69
 Energy    -249.68049057266731     
  O     19.29283643     10.28498161     -7.54611566
  H     19.50277952     11.02040766     -6.97652405
  H     21.03867432     10.27797125    -10.38097517
  O     18.23208641      7.26681996    -13.32466951
  H     20.00537889     10.22816419     -8.20879232
  H     15.93449220      9.77714963    -14.32921770
  O     21.78018851      5.63192759    -11.96610217
  H     17.77008226      6.44335193    -13.11932279
  H     16.87410993      9.93407895    -13.10558040
  O     16.77458549      5.23762016    -12.09317529
  H     17.56425544      7.92632665    -13.55206263
  H     18.54223080      4.66411184    -11.59398916
  O     20.89390326      8.01391118    -13.26288004
  H     22.39231692      4.96977853    -12.27379463
  H     19.42484173      4.29572354    -10.37749490
  O     21.14425655      6.08993695     -7.25063494
  H     20.93389151      5.17529465    -11.79975920
  H     13.71039326      6.38498358    -11.60255724
  O     15.06193574      4.64712413     -8.55718679
  H     16.25502339      6.03609526    -11.91883558
  H     13.53898664      4.88559643    -11.30563213
  O     21.22348438      7.21015856     -9.73629906
  H     16.19953009      4.50601597    -11.83905712
  H     14.41572015      7.87199663     -8.81882262
  O     18.60172449      7.71383021    -10.50389844
  H     21.32169479      7.23406747    -12.89152326
  H     15.93516132      7.61560988     -8.72779716
  O     18.82820823      7.61328619     -6.62094630
  H     19.98117730      7.74217619    -13.43689051
  H     15.23900888      7.88727636    -10.84403756
  O     17.34789982     10.06845587     -9.55699653
  H     22.01827108      5.97113825     -6.88856943
  H     15.45923384      8.20435386    -12.35852539
  O     21.16676331      9.99312907     -9.46782440
  H     21.25405328      6.49784734     -8.12735518
  H     20.84659228      9.61919835    -12.60120783
  O     16.30436762      9.30666464    -13.58771400
  H     15.86720716      5.17217353     -8.46008908
  H     21.32163411     11.08189068    -12.74962058
  O     19.44378427      4.44642783    -11.33395428
  H     14.32888645      5.26431407     -8.44705587
  H     17.74129127      6.78465900     -7.70968285
  O     13.07509127      5.73131165    -11.27674043
  H     21.59044225      6.67872285    -10.45312733
  H     17.73020279      6.68389824     -9.26324037
  O     15.27632916      8.26628484     -9.00996818
  H     20.29777153      7.37403389     -9.97578691
  H     12.90374584      6.32703232     -9.62863258
  O     15.17929418      7.52250570    -11.73609955
  H     18.50374655      7.58870343    -11.45459065
  H     12.10920965      6.68022046     -8.34764070
  O     20.75556912     10.51561613    -12.23096166
  H     18.24075685      8.58054953    -10.27818396
  H     18.89563680     10.80413252    -12.19249344
  O     17.28177908      6.37641202     -8.46160092
  H     19.66308551      7.13123792     -6.68526646
  H     17.69635916     10.75196691    -11.21318648
  O     12.98849430      6.65320837     -8.71458070
  H     19.01643332      8.52942558     -6.85876081
  H     19.97843915      4.73557913     -8.04091152
  O     17.93426285     10.87018847    -12.14354391
  H     17.91141178     10.20640917     -8.78455917
  H     18.50429990      4.83403688     -8.42679548
  O     19.29273847      4.29495306     -8.55651574
  H     16.54462522      9.61460592     -9.27041404
  H     14.96215212      3.81795350    -10.09575617
  O     14.86212159      3.48173994    -11.00496351
  H     21.36783827      9.04911442     -9.52146401
  H     14.77620236      2.53466220    -10.93933241
          69
 Energy    -249.68045631082666     
  O     10.67824059     10.70640955    -11.79604869
  H     10.22469908     10.33827998    -12.56508891
  H     16.09631897      6.46081798    -16.87834888
  O     13.59677412      7.32071045    -15.19845488
  H     11.51563008     11.05669751    -12.12525975
  H     18.00768132      7.35454826    -15.98117296
  O     17.50428310     10.18959017    -11.36307108
  H     14.03149389      6.97764563    -15.98811751
  H     17.45820367      6.24023911    -15.06308233
  O     18.42920389      9.26712246    -16.14205929
  H     14.28215004      7.79471300    -14.69947302
  H     15.98354671     11.97520843    -14.34372790
  O     12.15327258      9.68001661    -15.08877993
  H     16.54077592     10.11967998    -11.24126151
  H     15.58528728     13.45745343    -14.53561999
  O     15.39338692      5.97829306     -9.91063121
  H     17.83728200     10.70091976    -10.62926618
  H     15.18235558      8.89217489    -12.83592379
  O     12.80267723      6.13081832    -12.81600394
  H     19.15379875      9.45599867    -16.73255713
  H     16.04524265      9.26138755    -14.05338219
  O     14.78795852      9.84880229    -11.30851335
  H     17.60921158      9.33465910    -16.66960300
  H     10.13222572      8.84783990     -9.26755816
  O     16.09573726      9.32596579    -17.44990747
  H     12.56585794      8.81080550    -15.19157955
  H     10.67063529      9.44124824    -10.59309159
  O     14.93932023      4.44890390    -12.08053178
  H     11.23375644      9.53269353    -14.83631949
  H     11.01409561      6.63473500    -12.56672861
  O     17.24136516     10.74396261    -14.11455083
  H     16.20349675      6.47464869    -10.10039019
  H     10.25774166      7.48846841    -11.52523177
  O     15.24200117      6.57285713    -17.33366428
  H     14.66660902      6.61339411     -9.92458431
  H     16.35492730      6.97391372    -13.44479775
  O     17.60323689      6.47970476    -15.98935861
  H     13.02016893      6.47355888    -13.69408410
  H     16.22895330      5.49206031    -12.99826064
  O     15.22732018     12.57802136    -14.44449055
  H     13.45070898      5.44394021    -12.61490235
  H     17.57899937      6.88243161    -11.72531207
  O     15.49131988      8.56208542    -13.68900366
  H     14.26451474      9.13289676    -10.92140551
  H     17.71665616      8.25806911    -11.04522732
  O     10.66999447      8.64719508    -10.02838927
  H     14.18758130     10.40742927    -11.82278540
  H     13.33504397     10.62746685    -16.20985541
  O     10.18174120      7.09831790    -12.40472775
  H     15.69998443      8.45169098    -17.53091062
  H     14.44448031     11.66592453    -15.96649926
  O     16.85086456      6.14857856    -13.33500742
  H     15.38119766      9.94148318    -17.23040669
  H     12.38571094      8.01535779    -10.22730695
  O     17.64884724      7.31530292    -10.86395387
  H     15.01198051      3.51591044    -11.89953521
  H     13.09255036      7.20292611    -11.34378942
  O     14.10412843     11.04420175    -16.61947354
  H     15.11356463      4.91509699    -11.24123895
  H     13.80732813     11.85691103    -13.45319228
  O     13.24967821      7.72055724    -10.54100661
  H     17.52256495     10.54352721    -13.21154081
  H     12.83649516     10.68673218    -13.73605392
  O     13.16698440     11.26867234    -13.03481515
  H     17.80727839     10.27382152    -14.74186652
  H      8.73493722      9.14173637    -14.36673732
  O      9.61430443      9.21154415    -14.00564213
  H     15.24056797      5.96675738    -18.06942663
  H      9.77270494      8.40216163    -13.48684829
          69
 Energy    -249.68037359845866     
  O     10.27128109     10.46639932    -10.48552859
  H     11.12290116     10.61348551    -10.03569637
  H      9.68639970     11.72229386    -16.27401936
  O     14.25514193     10.35346791    -13.10731828
  H      9.59394783     10.51427837     -9.81643377
  H     13.98397887     13.22537196    -14.36335820
  O     17.08384349     12.67381420    -14.95733875
  H     13.87083571     11.22654406    -12.96145297
  H     13.63499687     13.79263598    -15.75655433
  O     10.75121299     11.76711258    -12.92518019
  H     13.93317356     10.01724566    -13.95309427
  H     17.92520684     10.30713061    -17.48167580
  O     12.11197465     14.33767539    -16.68942439
  H     17.21743170     12.05661633    -15.68649139
  H     17.24390741      9.83498731    -16.17484176
  O     14.47049861     11.02005414    -16.87831787
  H     16.19762932     13.03846808    -15.07948529
  H     15.01830161     12.52550969    -10.17129775
  O     14.76333356      8.92097093     -9.47477353
  H     10.81441852     10.99638954    -13.50882898
  H     14.51007989     13.88808261     -9.63972069
  O     13.25134849     12.89823096    -12.75056217
  H     10.48420373     11.42558959    -12.06293049
  H     16.54982858      8.14103929    -14.53991859
  O     13.37679826      9.00584592    -15.39679605
  H     12.08161691     13.54538180    -17.25652861
  H     17.26931668      9.41351989    -14.03496594
  O     16.95910370     10.85151752    -12.87544811
  H     12.01543173     15.09240716    -17.26425036
  H     16.64747684     11.15599000    -11.08030299
  O     12.67785481     10.88855434     -9.34339719
  H     15.40692471     10.83749246    -17.02770415
  H     15.86354325     10.44537797     -9.94750235
  O      9.70261922     10.89384746    -16.78757814
  H     14.42654636     11.79196968    -16.29418977
  H     10.34057591      9.86407333    -15.36657542
  O     14.31114215     13.30417859    -15.27081167
  H     15.00880623      8.23443617     -8.85948098
  H     11.69883561      9.28146834    -14.91066344
  O     17.20346191     10.49670632    -16.88867494
  H     14.42948256      8.47699204    -10.27151825
  H     14.59121364      7.25928261    -13.28632533
  O     14.24858997     13.12379407    -10.14595062
  H     12.32989263     12.60015513    -12.73874567
  H     15.00278255      6.09043461    -14.20752431
  O     17.21899972      8.79234478    -14.77533664
  H     13.53710105     13.07726272    -11.84591208
  H     12.88105425     11.52364665    -17.77675035
  O     16.23002125     11.29517234    -10.21872673
  H     13.81001035      9.60950607    -16.01815176
  H     11.32880198     11.45952616    -17.69760783
  O     10.81492431      9.52542408    -14.59763653
  H     13.97271172      8.27960726    -15.18147289
  H     10.69266480      8.88117757    -11.49214973
  O     15.00999556      7.04196839    -14.13521462
  H     17.12581401     11.57112786    -13.50199971
  H     10.82977267      8.52493702    -12.98109765
  O     12.06865032     11.97924857    -18.03417513
  H     16.01287772     10.65260700    -12.95117902
  H     10.65388604     13.65185429    -15.60228440
  O     11.01583025      8.19710444    -12.09123551
  H     13.14652996     11.70795064     -9.54335251
  H     10.15203311     12.83178095    -14.38007811
  O      9.91253029     13.13378039    -15.26595097
  H     13.35260599     10.20134084     -9.29470481
  H     13.94105502      8.88829641    -12.20753882
  O     13.73657865      8.00635881    -11.85450991
  H      8.86593999     10.83427927    -17.24118226
  H     12.77078178      7.93038328    -11.88206095
          69
 Energy    -249.68028380068935     
  O      0.36298468      0.62926426      2.74101844
  H      0.99794803      0.68771118      2.01879564
  H     -2.39346550      1.32074978      6.58063771
  O     -2.53839515     -0.36499611     -3.50497802
  H     -0.03356712      1.49701217      2.89814021
  H     -0.22990795      5.18105048      1.60239492
  O     -0.17434309     -0.96813580      4.95307990
  H     -1.92111116      0.15360090     -2.96037223
  H     -0.46528427      3.83360057      2.29312007
  O     -4.30059663     -0.98555062     -1.36878154
  H     -2.55318947      0.04288447     -4.36683038
  H     -2.27949791      1.21979852     -0.64954856
  O     -1.22412784     -2.71987444     -2.47214397
  H      0.18957624     -0.47985235      4.20113075
  H     -3.63281105      0.49482433     -0.51215890
  O      0.37859062     -1.48674381     -0.59825473
  H     -0.75316080     -0.33725710      5.39531068
  H     -2.48124962      0.20105403      1.28837960
  O     -3.74796529      2.67938604      2.12866636
  H     -3.86165056     -1.77739717     -1.02369214
  H     -1.26122298      0.02007573      2.24864287
  O     -3.71640455     -3.10405325      3.90082366
  H     -3.86973878     -0.78318754     -2.20800764
  H     -3.81024155     -3.54906285      0.24013467
  O     -0.84133513      0.83688737     -1.70924940
  H     -1.89011320     -3.08763888     -1.87703243
  H     -2.31670232     -3.19487935      0.25515373
  O     -5.93846873      0.91816764      2.83485123
  H     -1.67659450     -2.03675903     -2.98117741
  H      1.57311647     -0.31886179      0.07116766
  O     -3.81137946     -0.29533538      4.16724939
  H      0.01789513     -1.92899020      0.18284843
  H      2.99849092      0.12034867      0.47469738
  O     -2.03513119      1.08864037      5.72762489
  H     -0.00082007     -1.95945016     -1.35371054
  H     -2.20300456      2.74165278      2.99979971
  O      0.01973659      4.25998834      1.57113500
  H     -3.54827611      2.31940753      1.25258790
  H     -1.50149011      2.31449221      4.31203076
  O     -3.08310841      1.18291834     -0.11451381
  H     -4.53080029      2.20030296      2.42201595
  H      0.53823052      3.27399354      0.10943776
  O     -2.12366956     -0.34267073      2.00127304
  H     -3.82215778     -2.17127482      4.12926340
  H      1.38800434      2.02798869     -0.23026144
  O     -3.07846208     -3.29097856     -0.33448706
  H     -2.78337048     -3.30779175      4.03541282
  H     -0.61879074     -2.59020431      4.50131123
  O      2.08193880      0.38266753      0.51140332
  H     -0.28595194      1.58656034     -1.44560575
  H     -0.42184004     -4.11054259      4.70309776
  O     -1.34685143      2.73423743      3.45898519
  H     -0.45636122      0.04705844     -1.30764212
  H     -0.86368392     -3.15830521      2.30945868
  O      0.79815876      2.68754289     -0.61444580
  H     -6.84121403      1.18382785      2.98709933
  H     -1.50047375     -1.92375931      1.64298955
  O     -0.88997468     -3.46794523      4.17708058
  H     -5.96188917      0.24715971      2.12860113
  H     -5.66751477     -4.39941682      1.80166908
  O     -1.01848813     -2.74620166      1.45302000
  H     -4.62444083      0.11696758      3.84983799
  H     -4.58596329     -3.50569189      2.45217204
  O     -5.07945551     -3.66895001      1.62846647
  H     -3.21186884     -0.32942298      3.40350985
  H     -5.53784666     -0.93759973      0.06298942
  O     -5.92101115     -1.02509007      0.94442672
  H     -2.73475153      0.60925041      5.25073890
  H     -5.71786404     -1.92610463      1.22460682
          69
 Energy    -249.68015835909262     
  O     15.94888615     10.70405036     -9.96538153
  H     16.71158034     10.12718862     -9.85082828
  H     13.46449758     10.66454248    -17.07535192
  O     13.51227053      8.26576215    -14.90684887
  H     16.07154034     11.13176597    -10.82599832
  H     18.95206783      9.69669315    -13.13352856
  O     16.60432791      5.21566073    -12.80073735
  H     13.97058493      7.42388569    -15.01907459
  H     19.10524295      8.15748634    -12.97353650
  O     18.89244171      6.39743349    -13.79468120
  H     12.85667905      8.13860808    -14.20577397
  H     14.86117846      8.88444068    -13.74043603
  O     14.01056115     12.07587156    -13.92018658
  H     15.99142580      4.49136101    -12.60764224
  H     15.85682840      9.87064696    -13.04232237
  O     12.64615527      4.71654195    -10.63061645
  H     16.44504173      5.90385837    -12.13727019
  H     14.30509015     10.26657907     -9.69887608
  O     11.89028554      7.81735473    -12.75153531
  H     18.14207944      5.89543660    -13.43359921
  H     13.02340721     10.50505216     -8.86622758
  O     16.11675483      7.33549594    -11.14812386
  H     19.61185281      5.77889889    -13.89444142
  H     13.84578931      4.68898531    -15.09965646
  O     16.94664372     10.45657247    -16.35666917
  H     13.97629479     11.66635676    -14.79092924
  H     13.06804099      3.49427187    -15.69282695
  O     11.24990033      5.16967773    -13.10988484
  H     13.36331687     11.61062814    -13.36743737
  H     12.00360394      9.71572282    -12.48754160
  O     17.14084889      7.84186469    -15.43966547
  H     12.90579282      5.64036861    -10.47980323
  H     12.68774964     10.47998349    -11.34714002
  O     14.07586666     10.53566066    -16.35402008
  H     12.28783094      4.39618210     -9.80630088
  H     15.56023816      5.67452963    -14.27518591
  O     19.14197077      8.99552663    -12.49864940
  H     11.50489109      6.95165373    -12.94905407
  H     15.78895710      6.53454707    -15.51530779
  O     15.71654350      8.95055236    -13.29990787
  H     12.44368391      7.68724428    -11.96993460
  H     13.92123954      3.83774650    -11.73706312
  O     13.37077172     10.00657519     -9.60099543
  H     15.97673483      7.92848244    -11.90512697
  H     14.03148060      3.48608336    -13.23147683
  O     13.18068016      4.01077781    -14.89845856
  H     16.80357878      7.74255645    -10.60752574
  H     17.96499798     10.99153379    -15.03974547
  O     12.37488793     10.57480916    -12.25448196
  H     15.99237589     10.58577731    -16.41323460
  H     19.16109951     11.83412898    -14.54309206
  O     15.13984033      5.95025206    -15.10262650
  H     17.07571497      9.50230665    -16.26039658
  H     13.33296543      8.21758524    -10.03580023
  O     14.52703932      3.48965081    -12.40369062
  H     11.61479868      4.90331794    -12.25635453
  H     14.40305672      7.28082622    -10.63875148
  O     18.50381669     11.20460238    -14.25753085
  H     11.81081577      4.75356007    -13.77570230
  H     18.86576438      8.78381335     -9.35909916
  O     13.45888889      7.34610277    -10.43344623
  H     17.87514920      7.34472345    -15.06006933
  H     18.54596354      8.95954260    -10.86269982
  O     18.14628167      8.85757409     -9.97977349
  H     16.70211353      8.27432182    -14.68844153
  H     15.51667682     11.91029491    -13.05647319
  O     16.28358546     11.58849443    -12.55419545
  H     13.80915214      9.71496050    -15.90720809
  H     17.06571292     11.63124757    -13.11551634
          69
 Energy    -249.67968537867279     
  O     10.31451179     12.49370152    -10.24272516
  H     11.10289634     12.88189709     -9.84999992
  H      9.69716985     11.07863286     -9.44328236
  O     12.71278544      8.40712352    -16.40523439
  H     10.44379886     12.47571337    -11.20049330
  H     13.43649754     11.79505663    -11.62468280
  O     10.73190150      8.22677306    -10.46898514
  H     12.63758781      7.75701482    -17.09791029
  H     12.54353197     12.53557804    -12.63466238
  O     13.78648402      8.64810222    -13.80930608
  H     11.80618701      8.67620355    -16.17009131
  H     17.06161012     10.04175715    -11.19882610
  O     12.57383879     13.31899499     -8.47868326
  H     11.40090918      7.77633598     -9.94177300
  H     16.81359823      9.60026536     -9.72727820
  O     13.37428456     11.20646466    -16.30396506
  H     10.25946209      8.83139067     -9.88395202
  H     14.28087403      8.10574586    -12.15316448
  O     11.19820466      9.37735111    -12.90464794
  H     14.28922625      9.47120277    -13.89882761
  H     15.37094831      8.38381305    -11.05335447
  O     14.12582872      8.80810312     -7.43394642
  H     13.49530269      8.40543714    -14.69648323
  H     13.55442156      7.22365154     -9.97991643
  O     13.47796797     10.53966656    -10.36832473
  H     12.56163931     14.16387620     -8.03505180
  H     13.03865845      5.96073398     -9.25112025
  O     12.03728975     10.60073667     -7.88193703
  H     13.50842953     13.07796930     -8.58484878
  H     16.91629756     12.24471681    -12.01604419
  O     15.88393078     13.46313839    -11.29462267
  H     14.06687607     11.25964064    -15.63310514
  H     18.23913964     11.78874834    -12.67634172
  O      9.48093046     10.27535457     -8.93452907
  H     13.24615180     10.26487604    -16.47363456
  H     10.71726515     12.28033849    -13.94086108
  O     13.44973648     12.48313811    -12.30828163
  H     10.99966486      8.93220937    -12.06839308
  H     10.91390057     11.15064799    -12.90388480
  O     16.81156282      9.29455459    -10.64217333
  H     12.09789492      9.13490658    -13.15579394
  H     15.68672800     11.66691176     -8.39656333
  O     14.47808850      8.03736992    -11.20983876
  H     13.79307476      8.06291295     -7.94800558
  H     14.60567176     11.62255823     -9.47764913
  O     12.99745027      6.91383463     -9.24300738
  H     13.40113216      9.44893005     -7.42442490
  H     14.48349568     11.62841431    -13.49226699
  O     17.37493539     11.48297973    -12.41310440
  H     13.79743645      9.67232468    -10.64416566
  H     15.94513595     11.14697612    -13.63229929
  O     10.80527132     12.11121031    -12.99542666
  H     12.86956336     10.40881727     -9.63187362
  H     10.64123482     12.82668323    -16.49239803
  O     15.09275377     12.23402941     -8.90152905
  H     11.11197349     10.41955242     -8.09126308
  H     11.79292365     11.91965204    -16.00229235
  O     15.07521398     11.09264438    -14.04284358
  H     12.14753331     11.55939895     -7.91964825
  H     17.10877306      9.81966119     -7.17196349
  O     10.88004393     12.20162012    -15.81324575
  H     15.02167013     13.35376838    -11.71922749
  H     15.67376184      9.56455575     -7.68758145
  O     16.50013724     10.04922240     -7.86873323
  H     15.74742686     13.18838583    -10.37809474
  H     10.32773437     10.32836393    -15.72425067
  O     10.32290271      9.37820214    -15.55747837
  H      8.56582641     10.34737043     -8.67853578
  H     10.45034825      9.28434242    -14.60198382
          69
 Energy    -249.67961236435090     
  O     16.85917000      3.66191978    -15.14373506
  H     16.41275126      3.20717089    -14.41892653
  H     15.93183045     10.57750165    -16.13122248
  O     12.63541445     10.79904464    -11.25229245
  H     16.41972321      4.51839766    -15.23003883
  H     14.64716453      8.52632877    -16.61726881
  O     17.37426387      8.38380257    -14.39199519
  H     12.11523180     10.00423180    -11.41177063
  H     13.73305619      7.67735950    -17.53251470
  O     19.42692979      3.95108209    -14.28026963
  H     13.03596404     11.01962999    -12.10565052
  H     15.97868929      9.38470632    -11.84690795
  O     11.39140699      8.31953958    -12.13318886
  H     18.07019812      7.80020313    -14.04966998
  H     14.84377203      8.32658155    -11.98187591
  O     17.46121469      8.02175465     -9.19241189
  H     16.69547018      8.50285548    -13.70773837
  H     16.68684150      2.77880675    -12.28435704
  O     13.70662099      7.25111962    -11.01389208
  H     20.04844978      3.52894010    -14.86683677
  H     15.50822785      1.77835937    -12.37644225
  O     17.85698145     11.06536051    -13.34631080
  H     18.54394131      3.83337284    -14.67373952
  H     14.35498135     11.83865238     -8.83579986
  O     14.83320105      8.34215306     -8.72497937
  H     11.65257368      8.47851569    -13.05866402
  H     13.85782074     11.01548449    -10.04551110
  O     15.63654932      6.20755610    -15.01833144
  H     10.45891178      8.12233675    -12.14015422
  H     16.62462696      5.83703227    -11.49223063
  O     19.08040429      6.60953463    -13.33098701
  H     17.96051681      7.90871940     -8.38763965
  H     17.47044823      6.63684704    -10.44662710
  O     15.95756737      9.66241564    -16.43148763
  H     16.52120251      8.07978175     -8.93965942
  H     14.58953884     11.48055172    -14.17304503
  O     13.97733009      7.81815879    -16.62139492
  H     14.02997232      6.46624683    -11.47913022
  H     14.51643958     10.19319950    -13.31626500
  O     15.46101666      8.87251013    -12.48336837
  H     12.84950877      7.50177537    -11.38211005
  H     16.22688518     10.74515453    -10.23201026
  O     15.80307233      2.63573469    -12.66975649
  H     17.95572919     10.17780012    -13.71043561
  H     17.31118108      9.63335220    -10.18149094
  O     14.58465578     11.10788604     -9.40359906
  H     17.67805656     10.95031821    -12.40422442
  H     16.33634948     13.06199721    -15.35215733
  O     17.50779185      5.94337818    -11.11522279
  H     14.65905877      9.28524888     -8.83160871
  H     16.74459458     11.88260389    -14.43834088
  O     13.98368426     10.91830057    -13.67819101
  H     14.35880525      7.89804972     -9.44310303
  H     15.17398014      4.37104163    -12.45673867
  O     16.98291671     10.37420142    -10.70819266
  H     14.98001540      6.63513207    -15.58195354
  H     15.18318693      5.65505191    -13.32910778
  O     16.06462106     12.19596170    -15.06134628
  H     16.33217004      6.86103917    -14.87432409
  H     18.80515926      3.44955685    -12.53186436
  O     15.04661735      5.32748495    -12.42900794
  H     19.31704096      5.75686205    -13.71416505
  H     18.10623489      4.18168034    -11.36896081
  O     18.26440612      3.30451783    -11.74486656
  H     18.61262454      6.40840365    -12.50833109
  H     12.79363374      9.71145003    -14.41346872
  O     12.27828765      8.91640910    -14.61074204
  H     16.57631365      9.21602845    -15.83596616
  H     12.76288053      8.46065296    -15.30754346
          69
 Energy    -249.67931160389503     
  O     -3.41575629      1.50513598     -3.89075197
  H     -3.53582551      1.28391679     -4.81102233
  H     -1.13858269      0.97139044      2.15427393
  O     -6.25773325      2.22111400      1.76462697
  H     -3.98168585      0.90008664     -3.37904715
  H     -2.44382995      3.52393108     -0.19879336
  O     -4.30611771     -0.77436196      2.44599427
  H     -6.02670572      1.90483860      2.64785022
  H     -1.59537513      2.56187176      0.73043536
  O     -1.65861518     -1.49235683     -0.82293991
  H     -5.57549813      1.87558866      1.16769198
  H      0.15878857     -1.24032605      2.10563525
  O     -5.05801300      0.09066514     -2.24739444
  H     -5.04711916     -1.24129563      2.03965519
  H      1.46129817     -0.45359284      1.88375813
  O     -6.28301963     -1.99012414      0.87047988
  H     -4.65456250     -0.17701027      3.12125718
  H      2.64568231      1.83374137      1.38332825
  O     -4.37203236     -2.31298715     -1.03108854
  H     -1.57718872     -0.66403093     -1.31640537
  H      1.66466087      1.13858016      0.41045263
  O     -1.27451901      0.96903808     -2.11939822
  H     -0.78790354     -1.90978711     -0.84031243
  H     -7.53629996      1.27548751     -1.33239878
  O     -1.63562399     -0.75106675      1.87599397
  H     -4.75036597      0.38845011     -1.37458764
  H     -8.15772484      1.86248729     -2.61889777
  O      1.03529076     -2.30919725     -0.60784079
  H     -5.92103839      0.50445756     -2.37247021
  H     -2.22744360      2.58079359      3.29768611
  O     -5.16002586      1.21812479      4.18913752
  H     -5.60779398     -2.17391147      0.19229991
  H     -3.47576877      3.49809796      3.14211414
  O     -0.82320072      1.88594973      2.22075893
  H     -6.76045708     -2.80456927      1.00724241
  H     -7.39354013      1.09503510      0.83078910
  O     -2.04169437      2.65060843     -0.12266162
  H     -3.42205517     -2.17568837     -0.92465470
  H     -7.29335463     -0.38220438      0.39478218
  O      1.10532266     -1.34906979      1.93583712
  H     -4.66247229     -1.61140803     -1.63051444
  H     -3.47502061      1.57341021      0.15760758
  O      1.80430079      1.38734440      1.34182072
  H     -1.87277512      1.15958862     -2.84974920
  H     -4.11387714      0.37931968      0.94886012
  O     -7.32512817      1.69661623     -2.18533151
  H     -1.49068854      1.60925805     -1.42291143
  H     -4.13727332      4.44890136     -1.26169305
  O     -3.07019819      2.81708084      3.70048277
  H     -1.66919048     -0.99410417      0.94001279
  H     -3.41509653      5.79191824     -1.00078147
  O     -7.72954111      0.45263861      0.18958400
  H     -2.52666287     -0.88167042      2.22616171
  H     -5.81178789      2.95948050     -2.28396048
  O     -4.25258130      1.00452348      0.22662040
  H      1.55718088     -3.09624314     -0.73595923
  H     -4.43391730      2.91684139     -2.97450383
  O     -3.58239598      4.93214790     -0.62400122
  H      1.12435221     -2.06042262      0.33000314
  H     -5.26432839      3.87457423      1.90923528
  O     -5.00136939      3.46417017     -2.41890203
  H     -4.37225532      1.78577883      4.08533848
  H     -4.24775234      4.73453049      1.13640753
  O     -4.52310345      4.48242123      2.02525550
  H     -5.43932237      1.29556868      5.09663089
  H      0.51894903      0.72137761     -1.63306918
  O      1.34600156      0.48869520     -1.19110089
  H      0.12122378      1.85355114      2.02483900
  H      1.34689274     -0.47442750     -1.12888903
          69
 Energy    -249.67889349107247     
  O     11.99667906     11.24748797    -15.19243563
  H     12.53968692     11.94079497    -14.79840189
  H     18.52132439      9.32125001    -14.52771716
  O     15.43326332      6.69809054    -13.72441723
  H     11.51894688     10.81321889    -14.47545602
  H     16.00743524     11.94401200    -16.47683367
  O     16.87005150     10.27495538    -11.32296349
  H     14.66472162      6.65647038    -13.13946399
  H     16.68994485     12.09929789    -15.11005074
  O     17.49238745     10.82857486    -14.02691913
  H     16.20211786      6.92691449    -13.18393056
  H     14.57727194      9.43724595    -15.25494912
  O     12.69692683      6.99042659    -16.77463526
  H     16.78916833     10.05132666    -10.38771528
  H     15.24295202      8.42450021    -14.27288187
  O     13.71715147      8.40267759     -8.85343049
  H     16.00032914     10.59596812    -11.60210524
  H     10.85508893      8.83212961    -13.63465834
  O     13.23377312      6.78542013    -12.06489050
  H     17.50321696     10.82886636    -13.06182349
  H      9.64444004      9.68740899    -13.18989695
  O     14.42164071     11.01015410    -12.42054772
  H     16.72233280     10.28906825    -14.27241893
  H     17.21974328      6.91512746    -10.62211711
  O     14.18375545      5.83805604     -9.60783702
  H     13.62569529      6.70487119    -16.69545468
  H     16.06417865      6.32039276     -9.76877582
  O     17.32313043      8.23906874    -17.27817534
  H     12.28644502      6.42053540    -17.41936462
  H     11.89091763      7.15909353    -15.06325483
  O     15.29480768      6.37852511    -16.45470648
  H     14.57331406      8.84046655     -8.77246320
  H     12.05621085      6.95298676    -13.53219001
  O     18.70925288      8.39159538    -14.71791750
  H     13.24246364      8.84105443     -9.57250140
  H     17.33994205      8.57209170    -11.97647756
  O     16.04914755     12.51660348    -15.70365506
  H     13.50133502      6.30389259    -11.27222259
  H     18.09644452      7.81057680    -13.09794507
  O     15.14565005      9.36240005    -14.48044081
  H     13.03477153      7.68848625    -11.77883888
  H     16.93628736      9.42269076     -7.91511538
  O     10.59686507      9.68549172    -13.23934967
  H     14.22504843     11.85148303    -12.84790187
  H     16.68031001      8.35749401     -9.00891482
  O     16.91000800      6.78083419     -9.71580388
  H     14.60777415     10.38688460    -13.14171619
  H     15.67543355     10.94199491    -18.72403465
  O     11.47602657      7.32520536    -14.20926973
  H     13.87615705      5.20102341     -8.96858305
  H     14.95089546     10.25781288    -17.54096821
  O     17.57168114      7.68809780    -12.29325135
  H     13.97580645      6.72124690     -9.25007999
  H     11.78047386      9.52781671    -11.78225985
  O     16.46104947      9.26472381     -8.72663719
  H     17.91478317      8.08743010    -18.01300501
  H     13.22502229     10.01454241    -11.56356382
  O     15.81938519     10.56361423    -17.85974915
  H     16.86418043      9.07192538    -17.46354244
  H     13.80730982     14.08959261    -14.10112011
  O     12.56159765      9.39129157    -11.23258674
  H     15.40441943      6.33357400    -15.49289243
  H     14.64905165     12.96539587    -14.74790866
  O     13.88922071     13.14186572    -14.16461803
  H     15.99928530      6.95145588    -16.77749854
  H     13.13640905      8.78208367    -16.84367958
  O     13.51855542      9.66459516    -16.76842532
  H     18.28205120      8.22359232    -15.56479204
  H     12.89961805     10.23316759    -16.28303780
          69
 Energy    -249.67789121350069     
  O     -2.60208216      5.99171169      2.62655585
  H     -2.46165903      6.34862425      1.73024564
  H     -2.46481264     -1.56941682     -3.00824979
  O     -3.17252994     -0.74926517      1.74740526
  H     -3.24747286      6.55239009      3.04761168
  H      0.14608362      2.38532428      5.60428096
  O     -0.75920534      4.38693388     -3.24650522
  H     -2.81179125     -0.04674130      2.31790437
  H     -0.08884867      3.34469773      4.41250053
  O     -3.30833178      2.82070294     -1.00520943
  H     -3.67901226     -1.32648104      2.31246277
  H      0.39806244      5.17633826      0.17725512
  O      1.47471839     -0.21976813      0.91985223
  H     -0.74687370      3.43129355     -3.11360463
  H      0.97985073      6.05237068     -0.95508611
  O      3.23761931      3.70586860     -1.18194828
  H      0.12697189      4.71762453     -3.05714330
  H     -2.62855219      4.28213547      1.94380591
  O      0.16150137      3.43662806      0.66389874
  H     -3.38258651      3.67293749     -1.45096074
  H     -1.53194049      3.45346889      1.21887146
  O     -2.15965977      1.26435111      3.20849035
  H     -3.09113521      3.01671128     -0.08177928
  H      0.54118506      5.36085262      3.41080669
  O     -4.08007210      0.12368727     -0.82631907
  H      2.09998739     -0.94020035      0.93055991
  H     -1.00687090      5.36382605      3.49662571
  O      1.79611056      2.07167850      2.53328863
  H      0.60797376     -0.60923408      0.70396551
  H     -1.84902902      2.08385282     -1.86909820
  O     -3.07293760      5.35300460     -2.22903080
  H      3.45081724      3.80625213     -0.24705402
  H     -1.40676162      0.77343485     -2.55148756
  O     -2.13779475     -0.94080220     -2.37110228
  H      2.67154546      2.92300301     -1.24842993
  H      1.49004119      6.22434900      1.53196709
  O      0.03290545      2.40734384      4.65818597
  H      0.48711864      2.89888741     -0.06830692
  H      2.59344663      5.35787025      2.15587310
  O      0.54747006      6.09520102     -0.09452503
  H      0.66460798      3.14594651      1.43427247
  H     -2.52974166      6.33201110     -0.67478913
  O     -2.45289530      3.43192075      1.52304642
  H     -2.35038364      2.03107108      2.64821802
  H     -1.18142860      6.66718097     -0.00602212
  O     -0.21474517      4.94971386      3.85520721
  H     -1.43549827      1.53820451      3.78010318
  H      1.40410029      0.95939201     -0.54660215
  O     -1.13464482      1.68429729     -2.38644396
  H     -3.87891524     -0.11975434      0.08614868
  H      0.50268396      1.58237648     -1.66513354
  O      1.89313965      5.98220069      2.37662970
  H     -3.96635230      1.08217437     -0.88959184
  H     -1.64856085     -1.14903690      0.75786124
  O     -2.13949159      6.76838336      0.09090470
  H      1.64626061      1.23910945      2.06607668
  H     -1.21318491     -1.23664026     -0.71885996
  O      1.33630675      1.68134264     -1.18317208
  H      1.24181189      2.08345417      3.32462601
  H      4.54244463      3.71269650      2.09145308
  O     -0.87971959     -1.26700459      0.18513133
  H     -3.58186166      5.75940935     -2.92566802
  H      3.09497738      3.17718366      2.01930150
  O      3.70272888      3.84379907      1.65724453
  H     -2.22839981      5.07328034     -2.62724379
  H      2.36784870      4.87934809     -2.10486468
  O      1.78033296      5.50628591     -2.56420125
  H     -2.91079722     -0.61148857     -1.87507335
  H      2.32773670      6.00991179     -3.16045182
          69
 Energy    -249.67700567357861     
  O     16.69600015     10.41976532     -9.98143576
  H     15.89865717     10.21125186    -10.48854231
  H     12.42786691      7.06360486     -6.35616873
  O     14.56327727      4.83203263     -7.25986696
  H     17.41409572      9.88284276    -10.34616733
  H     17.37503975      5.92638274    -10.49164800
  O     17.06911252     12.48322886     -8.26859039
  H     14.74951813      5.16574414     -6.37406269
  H     17.38409506      5.96855821    -12.03485948
  O     11.89388234      5.77025983     -7.61516913
  H     13.63846285      5.05451913     -7.42738393
  H     16.08931206      6.96848755     -8.72030772
  O     14.52699570      9.53506837    -11.40855595
  H     17.14525710     13.31708555     -8.72477306
  H     15.69463994      5.49148253     -8.45388237
  O     18.60106009      8.73223892    -11.00070678
  H     16.91631261     11.80269694     -8.94779117
  H     17.71496867     10.22321578     -3.75640574
  O     20.05673703      8.78710044     -8.59414966
  H     11.90423062      6.28507687     -8.44157413
  H     17.34831700      9.32206077     -4.96041030
  O     12.03406112      7.23045837     -9.88138180
  H     11.08926615      5.25885296     -7.62179224
  H     15.95182129      9.31952351    -12.74626079
  O     15.37669461     11.52533348     -6.16367446
  H     14.52562531      8.57073401    -11.31922753
  H     17.45153548      8.99081488    -12.58008442
  O     12.33537207     10.08975912     -9.73000408
  H     13.73866009      9.84335659    -10.94454551
  H     14.90971404      8.96757561     -7.83065382
  O     13.45219965      9.90311612     -7.26570203
  H     18.41872271      7.78629801    -11.11566116
  H     16.18540096      9.24285893     -8.66629746
  O     12.84180930      7.71051569     -5.76972095
  H     19.21240361      8.79276710    -10.25598383
  H     18.59782243     10.61311271     -6.19758327
  O     17.94470116      6.07885640    -11.25767874
  H     21.00610204      8.83227393     -8.50792923
  H     18.43969891     11.44105571     -7.47933869
  O     16.22925210      6.06003110     -9.02864066
  H     19.69293168      9.49909116     -8.03903600
  H     15.28106494      5.78660288     -3.91538795
  O     17.50126186     10.24214346     -4.68558253
  H     12.02775394      8.19385286     -9.85724003
  H     15.78408184      6.72510473     -5.03642702
  O     16.71094304      8.92838401    -13.19662086
  H     12.80244834      6.97936295    -10.41184475
  H     15.03774463      6.43273705    -10.44292412
  O     15.76757055      8.60070652     -8.08009974
  H     15.89125631     11.95486411     -6.85856728
  H     14.90331944      6.46677789    -11.98784130
  O     18.99158045     10.76701174     -7.06440999
  H     16.02725012     11.14743440     -5.56066533
  H     18.05893243      6.17947894     -8.05080421
  O     15.03870245      6.16978958     -4.75455749
  H     11.61902514     10.71917447     -9.72278934
  H     19.20831156      7.20258862     -7.90504196
  O     14.47308497      6.73440431    -11.16575514
  H     12.70506222     10.07499639     -8.82927030
  H     16.52427699      8.15902189     -6.52051552
  O     18.73035500      6.50307583     -7.44094879
  H     13.17323344      9.20380168     -6.65454779
  H     17.73151484      7.27610911     -6.17323555
  O     17.01402765      7.78693281     -5.77077467
  H     14.03529468     10.52291507     -6.80261833
  H     16.31929025      7.22920749    -13.46638626
  O     16.07149892      6.28790268    -13.42651361
  H     13.53922044      7.22936782     -5.30961597
  H     16.04215037      5.96990379    -14.32436431
          69
 Energy    -249.67679125131542     
  O     15.57604887      7.84053482    -10.10111249
  H     15.33337527      6.91980899    -10.25635094
  H     12.31778344      6.82691234    -15.64465793
  O     15.46192471      5.16568313    -15.42456036
  H     14.87709573      8.35071743    -10.53727804
  H     17.21966414      6.82570486    -18.03628106
  O     17.03884345     10.38851167    -10.09830733
  H     15.87973259      5.70321662    -16.10812950
  H     17.44724748      7.11374558    -16.53211452
  O     18.03208560      9.81042008    -13.86003755
  H     15.98004154      5.29662047    -14.62169067
  H     17.31291536     11.37051838    -14.36984682
  O     10.45966028     10.80314927    -13.28696702
  H     16.48156458      9.62339261     -9.92595507
  H     17.41615650     12.83278599    -14.85996485
  O     16.80478204      5.84519526    -12.98078385
  H     16.52304508     11.01344360    -10.63101850
  H     15.99877436      7.51307138    -13.26607523
  O     11.47243271      8.15697248    -12.99052381
  H     17.19644780      9.36859393    -13.64066774
  H     15.02810891      8.65868694    -12.83283199
  O     15.73493312     12.12979126    -11.81678986
  H     18.55126479      9.86104220    -13.04587302
  H     13.97874055      5.35967414    -11.58178526
  O     14.22785372     11.31283187    -15.34956292
  H     10.72880458     10.75746389    -14.22285786
  H     14.70713783      4.45023524    -10.56491969
  O     12.76297775      5.02549542    -15.32150414
  H      9.60945621     11.23357196    -13.26363284
  H     12.05026154      6.41924454    -12.54497367
  O     14.86187285      8.70579142    -16.05778305
  H     16.11462660      5.48460957    -12.40636774
  H     12.59031222      5.30829388    -13.46042437
  O     12.28273075      7.79117335    -15.64854571
  H     17.43691908      6.26468342    -12.37187972
  H     20.08182050     10.20178894    -10.94476655
  O     16.76390302      6.98341968    -17.21411911
  H     11.74928986      8.04475419    -13.91245488
  H     18.53686611     10.09793499    -10.86620307
  O     16.80367193     12.18415913    -14.52156912
  H     10.98275565      8.98719024    -12.95785340
  H     18.45350882      8.17795859    -14.73832671
  O     15.68820149      8.39890300    -13.48724743
  H     16.15644327     12.24771321    -12.67526539
  H     18.12763799      6.70921812    -14.40070126
  O     14.81765990      5.22886046    -11.10474295
  H     14.78685490     12.13633656    -11.99847197
  H     18.70791074      8.03600135    -11.22295291
  O     12.56091173      5.60010859    -12.54076791
  H     15.07212864     11.73899578    -15.15605408
  H     17.35475786      7.51241656    -10.70334508
  O     19.32029126      9.84172438    -11.38963155
  H     14.45554848     10.43705141    -15.69438603
  H     11.63464531      9.58123556    -15.90349164
  O     18.44211397      7.28351019    -15.10531282
  H     13.73532293      5.04124592    -15.38063976
  H     12.36317522     10.93781040    -15.79295023
  O     18.16838514      7.24123694    -11.15160911
  H     12.47075253      4.24124281    -15.77828210
  H     12.18477339     11.49023231    -12.81829100
  O     11.48851808     10.52901157    -15.78355276
  H     15.15493398      8.56684546    -15.14216462
  H     13.48103948     11.52723412    -13.66423526
  O     13.13677718     11.63331175    -12.76508493
  H     15.46615472      8.20366629    -16.61515648
  H     12.94637106      8.68520862    -12.04755539
  O     13.72224731      9.13398250    -11.68653304
  H     13.18314946      8.08771835    -15.84736175
  H     13.61576437     10.06411279    -11.92397079
          69
 Energy    -249.67674567814396     
  O     11.99333856     10.85253631    -14.72003465
  H     12.29356142     10.17150345    -15.34085298
  H     15.68673293      5.69210996    -14.72098651
  O     16.13802844      6.74847944    -13.38018510
  H     12.60443056     11.58813308    -14.82950506
  H     18.88994430      8.77040237    -13.26694271
  O     17.14105208     10.82382458    -11.16944572
  H     15.63816557      6.92629620    -12.56994486
  H     18.89943995      7.65295871    -14.31755625
  O     17.65500223     10.28734365    -15.55029720
  H     17.03929925      7.07583905    -13.26898327
  H     15.35992949     10.83178687    -17.59092198
  O     12.78404770      6.34999966    -15.55565001
  H     16.68143265     10.72014883    -10.32356542
  H     16.45746508     11.29439204    -16.62439018
  O     15.52212468     10.17396652     -9.04492553
  H     16.45864924     11.07630081    -11.80919586
  H     14.57153642      9.04953710    -15.16311336
  O     14.56783555      7.38755946    -11.20922288
  H     16.82923958      9.87094524    -15.25099821
  H     15.53210602      8.26675082    -14.20803663
  O     15.11210821     11.30753767    -12.97059269
  H     18.11866558     10.58814423    -14.75956446
  H     10.25134946      9.70376179    -12.36581613
  O     16.42791647      7.10887406    -17.40925834
  H     13.60902139      5.85465661    -15.58878008
  H     11.44042493     10.04946068    -13.29323582
  O     16.17445863      7.34610410     -8.90613048
  H     12.56839588      6.46577104    -14.61671307
  H     18.46689091      7.84762726    -11.44806897
  O     18.90555801      7.93946533    -16.22494239
  H     14.71598027     10.16966975     -9.57996903
  H     17.78581760      9.06588329    -10.80210229
  O     15.43161398      5.22333227    -15.53401584
  H     15.68278528      9.25326361     -8.80771608
  H     13.02745304      6.92056256    -12.26106532
  O     18.75243159      7.81962879    -13.37833146
  H     14.23746181      8.29689189    -11.17916182
  H     11.85144729      7.77103521    -12.77125936
  O     15.63400264     11.57704719    -17.04262242
  H     15.02037257      7.23649776    -10.37078630
  H     19.83908015     11.11300092    -12.87435768
  O     15.34514207      9.13158838    -14.59030245
  H     14.78714948     11.98373403    -13.57514405
  H     18.41376475     10.80157223    -12.36867108
  O     11.18495358      9.55779630    -12.49157152
  H     15.16519143     10.49463632    -13.49812662
  H     14.82487044      8.99028368    -19.36691101
  O     18.11016751      8.17425962    -10.61569976
  H     17.30174825      7.28864231    -17.04456549
  H     15.49617464      8.41598935    -18.09829637
  O     12.30066256      6.92607544    -12.89471388
  H     16.04602872      6.41747498    -16.85415201
  H     12.65607846      9.87230945    -11.42714197
  O     19.03427745     10.65476386    -13.10319983
  H     16.49285515      6.79218777     -8.19900287
  H     14.02016154     10.54186310    -11.70791727
  O     14.95611348      9.15262669    -18.43640612
  H     16.94226768      7.55843469     -9.46755001
  H     13.96687885     13.70683596    -15.37863944
  O     13.54483397      9.99282250    -11.06904956
  H     19.66820930      8.05942707    -16.78608203
  H     14.61054667     12.38295224    -15.84511495
  O     14.09625486     12.79562648    -15.12921776
  H     18.51336031      8.81999127    -16.09004520
  H     12.94547647      7.98613351    -16.12212383
  O     13.15049347      8.91897591    -16.29686574
  H     15.60369361      4.29724206    -15.38319454
  H     13.63091219      8.97723459    -17.12984157
          69
 Energy    -249.67672597526663     
  O     12.62488111      9.34953682    -15.82793702
  H     12.97296958     10.22483298    -15.62396600
  H     16.68913845      5.19809546    -16.13144006
  O     17.06848717      6.47809202    -13.38326654
  H     13.32017120      8.89835244    -16.32692178
  H     20.29726034      9.01959668    -13.00941103
  O     16.53892093     10.03935724    -10.75897604
  H     17.34049562      5.90327440    -14.11180459
  H     21.26508300      9.03451094    -11.80516809
  O     17.99951083     11.10118407    -14.69512130
  H     16.76542264      7.30114288    -13.79186233
  H     16.98377767     11.57493993    -16.16710747
  O     14.84878662      5.30467327    -16.65242075
  H     17.08054107      9.25048882    -10.89779180
  H     15.45898054     11.63026628    -16.33973873
  O     14.46903761      8.78981386     -9.42653941
  H     15.82087883      9.76778504    -10.16924564
  H     15.73319456      9.24425151    -14.04417682
  O     14.81296715      5.88139859    -11.92978423
  H     18.18972681     11.35269185    -13.77866532
  H     15.71697113      8.56404660    -15.44725668
  O     14.79056387     10.19496887    -12.88557366
  H     17.42881349     10.32278066    -14.65463991
  H     11.85765627      8.25907699    -14.73563837
  O     18.32016886      7.90727807    -16.56555090
  H     14.49059573      4.59833668    -17.18389359
  H     10.56204443      7.57824560    -14.22885519
  O     16.17282728      6.45098784     -9.49107350
  H     14.33037562      5.32430007    -15.82727429
  H     18.91718574      8.08935640    -11.32725720
  O     20.08491336      9.20291063    -14.73960958
  H     13.85422775      8.62817911    -10.15353012
  H     17.80054671      7.19328540    -11.91524550
  O     17.58554823      5.27455584    -15.78091726
  H     14.94988944      7.96217445     -9.30024671
  H     13.81313488      5.45050332    -13.49895694
  O     20.33981424      9.03314933    -12.03650164
  H     15.14004180      5.89047663    -11.02303891
  H     12.70316437      6.14813268    -14.31305609
  O     16.28129915     11.52405545    -16.83127915
  H     15.59713586      6.00893860    -12.48573181
  H     17.89834354     11.11674526    -11.47868203
  O     16.28091564      8.77577342    -14.68973540
  H     15.43417892     10.29607540    -12.17114521
  H     19.30536938     10.70507814    -11.94023625
  O     11.50588967      7.61018541    -14.09938527
  H     14.14564454      9.53961055    -12.58219132
  H     16.61448176     10.21364409    -17.92264892
  O     18.06928238      7.67646457    -11.11930715
  H     17.98081165      8.37544301    -17.33804419
  H     16.91434704      9.69199751    -19.34881774
  O     13.40576056      5.48924909    -14.37271373
  H     17.73740357      8.17539244    -15.84279069
  H     13.74578565      7.36995732    -11.93172099
  O     18.63624181     11.39298885    -12.03846881
  H     16.54895847      5.94841486     -8.77245893
  H     12.49058861      8.00787388    -12.57403219
  O     16.78698683      9.40992943    -18.44739893
  H     16.91687386      6.86135466     -9.96213391
  H     14.28879642     11.27971449    -14.22952437
  O     13.19205335      8.16430624    -11.92993266
  H     19.53018027      9.99232070    -14.80882478
  H     13.68152769     12.58238395    -14.79225388
  O     14.00632527     11.72176305    -15.04747281
  H     19.75987742      8.61619980    -15.43091316
  H     15.43823716      8.43151727    -17.60824301
  O     14.82708683      8.07898116    -16.94892771
  H     17.96889426      6.05559302    -16.20180643
  H     14.86291032      7.11345834    -16.97024162
          69
 Energy    -249.67665162178423     
  O     16.29428057     10.16070837    -16.61326674
  H     15.93293390      9.47990434    -17.17467113
  H     15.27013940     11.29717483    -15.44061426
  O     17.15981667     16.81288001    -15.58345088
  H     16.60413330     10.87376187    -17.19957895
  H     16.74057825     13.03987890    -17.50662217
  O     22.09263508     12.15283012    -16.30888652
  H     16.73182238     17.65353956    -15.72786259
  H     18.06888349     12.56478912    -18.10282130
  O     19.23770241     13.69191459    -10.45920562
  H     17.44634597     16.80296708    -14.65523073
  H     20.00087147     10.80615891    -10.65963029
  O     15.15952588     12.15329535    -12.22702755
  H     23.03018363     12.21009018    -16.47733517
  H     19.32076866     10.32771066     -9.35450628
  O     21.40288634     10.86819501    -11.64843747
  H     21.90701722     12.74234194    -15.55722554
  H     22.11296684     14.61641803    -11.55378555
  O     17.30742964     10.26316519    -12.15965133
  H     19.19554934     12.77122686    -10.17049215
  H     20.93589973     13.70541507    -11.12793424
  O     19.72443509     13.27976231    -17.37782106
  H     18.54756385     13.78184622    -11.13158962
  H     17.94814811     10.11792911    -13.78428889
  O     20.65098492     16.43624342    -14.22530710
  H     14.30810839     12.14490661    -11.79908217
  H     17.64390479     10.04069976    -15.32355755
  O     19.57149110     16.54824302    -10.67926475
  H     14.99738002     12.06772869    -13.18469208
  H     19.73000193     15.20100140    -17.11861661
  O     21.24089383     13.72919602    -14.22412889
  H     21.36808060     10.60977553    -12.58136146
  H     18.81251736     16.31790134    -16.55812360
  O     14.91452204     12.01577460    -14.90494165
  H     21.78349128     11.75257933    -11.60944563
  H     22.88672026     17.14994159    -11.92019620
  O     17.13603876     12.32936336    -18.03013303
  H     16.54159220     10.84173473    -12.06785754
  H     21.74567658     16.56941130    -12.78535635
  O     19.19792985     10.89358063    -10.11204442
  H     17.90127846     10.46594117    -11.42653022
  H     17.71498839     15.60222322    -12.85854141
  O     21.81474329     13.69920204    -11.53729538
  H     20.58379021     12.85505898    -17.26472011
  H     18.52919676     16.70579169    -12.16536838
  O     18.33433586     10.20572994    -14.67134272
  H     19.26730225     13.13242817    -16.53879386
  H     20.18414442     10.07630531    -14.51399028
  O     19.72930067     16.09786523    -16.76220888
  H     19.78959245     16.45847179    -13.78584864
  H     21.46896628     10.70573699    -15.09191509
  O     22.18721848     16.50124427    -11.92230805
  H     20.46903651     16.43462842    -15.17743893
  H     18.55803208     11.94594499    -14.71069329
  O     18.10342817     16.47715017    -13.00458983
  H     20.49932694     16.62570862    -10.93057348
  H     19.55876448     13.14227171    -14.49554322
  O     21.12320039     10.22259262    -14.33521023
  H     19.45347600     15.63364549    -10.39123140
  H     16.53297714     15.08001677    -15.90200026
  O     18.65141502     12.91058214    -14.73821366
  H     21.08159040     14.67770657    -14.31563141
  H     17.18144578     13.73140730    -15.52319496
  O     16.42248718     14.12548523    -15.97724107
  H     21.48506394     13.57937809    -13.30128148
  H     17.78321476     13.45388273    -13.22208783
  O     17.32985314     13.88103720    -12.48284866
  H     15.26037295     12.83043201    -15.29402463
  H     16.52657375     13.37280897    -12.31540102
          69
 Energy    -249.67642221738095     
  O     15.15606205      7.37870555    -10.04895856
  H     14.26650407      7.65456997     -9.80280044
  H     12.97624771      6.78029759    -14.68805182
  O     15.44673298      8.60753851    -14.64638858
  H     15.58207864      8.15710906    -10.44005449
  H     15.07427676      7.75169870    -17.99323420
  O     17.14206113     10.47688979    -17.18670091
  H     16.22864075      8.10688395    -14.91031700
  H     14.13704180      8.89996551    -17.60625002
  O     12.22703624     11.68135375    -15.29739609
  H     14.78592295      7.97447667    -14.34005774
  H     14.45370134     11.32487341    -13.03128263
  O     15.23354734      5.53249322    -12.17994725
  H     17.20786147      9.58512782    -17.54559339
  H     13.04732051     11.63739734    -13.59832914
  O     18.54155672      7.71212884    -11.61295903
  H     16.19489841     10.62945144    -17.06040193
  H     15.92885295     10.06133041    -13.80997317
  O     17.71528690      5.44389675    -13.17637976
  H     11.73355729     10.84346291    -15.22984838
  H     16.92426958     11.24859261    -13.87771641
  O     16.55084577      9.58996817    -11.01235495
  H     11.62604998     12.32938557    -15.65474022
  H     17.85635034      6.91468184     -8.21656312
  O     11.05927993      9.26824116    -14.94899564
  H     15.18027120      6.09346179    -11.39551091
  H     16.79343878      6.85011423     -9.32241558
  O     17.72885290      7.14621748    -15.37041903
  H     14.56140255      5.86469512    -12.79008987
  H     18.92625602     12.20229349    -15.21258378
  O     12.15710586      6.99948148    -16.33430735
  H     18.29063734      6.97582771    -12.18580023
  H     18.00274754     11.11394122    -15.81012563
  O     13.45070097      6.85242981    -13.85054662
  H     18.46182616      7.36900896    -10.71097354
  H     13.71254908     10.91473249    -16.16745177
  O     14.14184394      7.97893000    -17.90360259
  H     18.12009236      4.60781478    -12.96213318
  H     14.72385558      9.76812429    -15.87037471
  O     13.51440970     11.37072781    -12.79765358
  H     16.80887657      5.41854056    -12.81869261
  H     17.30043725      7.39693497    -17.06450460
  O     16.16252521     10.90825501    -13.39523882
  H     17.30408623      9.00975265    -11.18696394
  H     17.57989567      7.23310346    -18.57471585
  O     17.73791050      6.72187641     -9.14383125
  H     16.44431358     10.12148626    -11.81325530
  H     19.22645865      8.69547516    -13.18108525
  O     18.39666745     11.44391097    -14.98202323
  H     11.35802396      8.51501031    -15.47273447
  H     19.12595808      9.81102540    -14.26857831
  O     14.42656904     10.39381675    -16.54965623
  H     11.27645472      9.06505338    -14.02940206
  H     12.24823793      8.71208128    -11.45484583
  O     17.01317419      7.67877264    -17.94980769
  H     17.69766704      6.42582590    -14.72871174
  H     12.72330616      9.72025269    -12.52798217
  O     19.38044990      8.89378318    -14.11297308
  H     18.38589052      7.77743839    -15.03496315
  H     15.06307762     10.53786277    -10.22302772
  O     12.25443043      8.88228285    -12.40366270
  H     12.86580519      7.30026296    -16.93028789
  H     13.87406359     11.22631716    -10.92053218
  O     14.16470957     10.86091152    -10.07434121
  H     11.63487674      6.37044997    -16.82514697
  H     12.07280457      8.74133718     -8.85433969
  O     12.65582380      8.65911761     -9.60398361
  H     12.98919058      7.50579109    -13.30419301
  H     13.15317463      9.49549916     -9.66984768
          69
 Energy    -249.67628906684226     
  O     13.52629342      8.54769239    -11.41341309
  H     14.31568431      8.10176448    -11.75801916
  H     15.91964465      5.88959499    -15.42011332
  O     13.76777029     10.93014666    -16.82176599
  H     13.41737663      9.34505600    -11.94888096
  H     18.50033724      3.02750715    -11.59330013
  O     16.30586375     10.98869255    -13.00108804
  H     13.46633496     10.09860097    -16.43028180
  H     18.27547834      4.36011146    -12.34640237
  O     13.87737920      4.67721522    -13.46639644
  H     13.42556468     11.63096412    -16.25381913
  H     20.20846998      8.13859082    -14.32940007
  O     15.86133637      6.10884726     -8.64364391
  H     15.35720913     10.80082345    -13.05699453
  H     18.75393339      8.63955272    -14.47159430
  O     15.93750705     13.12437136    -14.82482369
  H     16.57574300     10.86915684    -12.08360454
  H     12.75779142     13.77653678    -14.79136681
  O     15.83155523      7.25898567    -12.34205764
  H     14.58249293      4.63730834    -14.12108086
  H     14.16666871     13.13349194    -14.81859137
  O     13.57857384     10.58061893    -13.32837859
  H     14.30719688      4.55297276    -12.61013013
  H     14.10270979      8.25656432    -15.33445107
  O     18.33701459      8.09871091    -11.36150181
  H     16.80616941      6.06320509     -8.87770556
  H     12.69273406      8.04208887    -14.75289310
  O     17.14681292     10.43643931    -10.37457487
  H     15.77756497      5.76281334     -7.75873457
  H     16.61369787     11.64078674    -17.98899435
  O     18.41108383      5.21785573    -13.84466923
  H     16.17718470     12.52486751    -14.10499495
  H     15.47028062     11.18548565    -17.05189210
  O     16.06019802      4.92665064    -15.41672016
  H     16.21176846     12.67748388    -15.63501002
  H     12.44377146      7.37171411    -12.62673923
  O     18.11815248      3.89628548    -11.50441245
  H     16.67121958      7.54380193    -11.96191188
  H     12.69507691      6.09972946    -13.46603615
  O     19.32141876      8.00577293    -14.00275298
  H     15.66435236      6.36529687    -12.01477999
  H     16.32860735      4.36239229    -11.23002699
  O     13.21246970     12.93976572    -14.82862257
  H     13.43132972      9.91062247    -14.01278279
  H     15.43495174      5.15543137    -10.24046168
  O     13.21756110      8.64465961    -15.30206373
  H     13.30913291     11.42380559    -13.71081142
  H     18.49192798      6.73609415    -10.14479243
  O     16.42235082     11.39163150    -17.08898829
  H     18.08448500      8.98051663    -11.05879172
  H     18.43872939      5.19748299    -10.16115678
  O     12.19533499      6.92896244    -13.44571599
  H     18.77408051      8.16956260    -12.21889869
  H     15.74112836      7.46828458    -14.08821420
  O     15.45672123      4.76628030    -11.12392508
  H     16.46603453      9.89186951     -9.93699522
  H     16.38944241      8.32750662    -15.20724825
  O     18.40316243      5.96131799     -9.57162290
  H     17.44715576     11.07194138     -9.73057569
  H     14.52798766      8.79649159     -9.88469332
  O     15.77542358      7.60130709    -15.05015762
  H     18.68107393      6.13564503    -13.95253795
  H     15.45219743      7.93809419     -8.99708810
  O     15.27445758      8.84550149     -9.27066176
  H     17.65170002      5.07638779    -14.42506094
  H     17.27278848     10.29187477    -15.88481499
  O     17.53796096      9.76016809    -15.12395710
  H     15.88089615      4.61949756    -16.30215166
  H     17.14961729     10.18200895    -14.34096675
          69
 Energy    -249.67614339530641     
  O     13.44495989      9.52631441    -10.83789210
  H     13.73878160     10.07755329    -10.10226258
  H     16.46175002     10.31876904    -13.39044416
  O      9.95739892      7.59275425    -12.37110457
  H     14.21704994      9.01796847    -11.11553180
  H     13.54797881     14.81441982     -8.96686701
  O     12.30160788     11.10266065    -12.74994146
  H     10.59934126      7.96165531    -13.00464437
  H     12.81475086     15.51749862     -7.79954096
  O     14.49057510     11.01852390     -8.74292238
  H      9.34780767      7.06329995    -12.87762160
  H      9.93667771     11.24955229    -10.66842988
  O     15.68374592      7.93232450    -11.47177396
  H     12.68235133     10.50563746    -12.08502353
  H     11.13237891     11.73139263    -11.52227099
  O     13.40620640     15.21510683    -12.55745193
  H     13.00732843     11.71876513    -12.98149849
  H     14.68823259      8.46734202     -6.35931629
  O     11.75317212      7.39507404    -10.23892320
  H     14.57821606     10.25177027     -8.16323198
  H     13.40735955      8.95987481     -7.07283691
  O     14.53817908     12.71159610    -13.10104392
  H     13.64570025     11.44843502     -8.54193719
  H     11.10218764      9.17002953     -7.32652567
  O     14.86741771     14.80821140    -10.11901415
  H     15.30504446      7.68968840    -12.32696434
  H     11.77485867     10.56366079     -7.34115990
  O      9.94141631      8.07508638     -8.29218392
  H     15.31063299      7.36986459    -10.77579534
  H     13.44802366      6.70977406     -9.64570932
  O     11.30357966     14.67923260    -10.92856317
  H     12.59978430     15.02743000    -12.04383204
  H     14.41752404      7.32027390     -8.62360743
  O     15.77923580     10.36706143    -14.07079223
  H     13.22966995     15.99989566    -13.06887566
  H     16.57549588     11.58435737    -11.02870772
  O     12.73459284     14.80785243     -8.43094417
  H     12.28611534      8.18651267    -10.41056495
  H     15.48011646     11.84858350     -9.97324388
  O     10.57549994     11.96918688    -10.76747973
  H     11.15184805      7.30852838    -10.99022751
  H     11.90908660      9.58922947    -13.71639882
  O     14.32077429      8.65159651     -7.22015451
  H     15.00394102     12.56345917    -12.26484932
  H     12.73625238      8.33079037    -14.03944888
  O     11.83543970      9.67829114     -6.95849157
  H     14.17956621     13.60676072    -13.05844011
  H      9.22410035      9.21295887     -9.69956522
  O     14.37716493      6.72251345     -9.38117275
  H     15.38687350     14.00984033    -10.27678470
  H      9.28870724      9.02863182    -11.22153790
  O     15.95587206     12.25321361    -10.71431514
  H     14.48720531     15.05140553    -10.97259069
  H     14.89805944      7.43171031    -14.85491462
  O     11.83283352      8.66137955    -13.98158156
  H     10.60497365      7.75908935     -8.92971737
  H     14.99268576      8.80791766    -14.15620712
  O      9.07117744      9.67031060    -10.53475650
  H      9.48751035      7.30434430     -7.96033355
  H     18.32163050      9.76127063    -11.63840322
  O     14.61067294      7.91377804    -14.08320430
  H     10.90173961     13.80003627    -10.91501232
  H     16.86179913      9.25759506    -11.56059488
  O     17.41406008     10.04092254    -11.72780561
  H     11.65076277     14.82328355    -10.04012433
  H     11.47802116     12.02907500     -9.19064265
  O     11.98939340     12.11364017     -8.37265092
  H     15.32918953     11.20940663    -13.92629619
  H     12.18993752     13.05180148     -8.26273789
          69
 Energy    -249.67560477721440     
  O     12.01547011     11.26458902    -15.18235500
  H     12.57065790     11.95332921    -14.79699518
  H     18.50823648      9.25720872    -14.50778197
  O     15.41156370      6.70178988    -13.69469465
  H     11.54221065     10.83813308    -14.45814262
  H     16.03922281     11.90910890    -16.48021854
  O     16.89363481     10.25524545    -11.34104302
  H     14.63471375      6.67105872    -13.11891797
  H     16.72649760     12.06614831    -15.11619633
  O     17.51200818     10.78649072    -14.03226569
  H     16.17544210      6.92280286    -13.14623032
  H     14.57145589      9.43394226    -15.25019302
  O     12.66940745      7.00043211    -16.76957143
  H     16.79000813      9.94319997    -10.43008157
  H     15.22753336      8.41940727    -14.26358157
  O     13.53042588      8.63351430     -8.73425720
  H     16.02911518     10.59415112    -11.61055475
  H     10.85369248      8.87145130    -13.61334451
  O     13.19302557      6.83143898    -12.07348626
  H     16.72998828     10.26407439    -14.27648053
  H      9.65458733      9.75041846    -13.18414997
  O     14.41986661     11.00752230    -12.41657521
  H     17.52214272     10.78954040    -13.06652914
  H     17.36300326      6.76850756    -10.71820077
  O     14.29349819      6.02773632     -9.70093781
  H     13.59318538      6.70235925    -16.67972045
  H     17.85629568      5.83956382     -9.58814843
  O     17.31262126      8.18325806    -17.25480737
  H     12.25395190      6.42507970    -17.40622734
  H     11.85777017      7.19122076    -15.06184013
  O     15.25758631      6.35656547    -16.42312344
  H     12.94780205      8.87533343     -8.01832822
  H     12.02112043      6.98565239    -13.53026308
  O     18.67899683      8.32155079    -14.68607666
  H     13.11679047      8.95865418     -9.55049124
  H     17.34251788      8.56122417    -11.94495867
  O     16.08788184     12.48583349    -15.71057059
  H     13.51647011      6.38106522    -11.27937854
  H     18.08333942      7.77488264    -13.06438289
  O     15.14025690      9.35717160    -14.47622316
  H     12.99614728      7.73719227    -11.80161723
  H     16.67629564      8.12407894     -9.08980045
  O     10.60763891      9.72279556    -13.20545811
  H     14.24380161     11.85142583    -12.84789430
  H     15.41592541      8.95701080     -8.79639484
  O     17.13157617      6.40290453     -9.84801039
  H     14.61018597     10.38181019    -13.13432929
  H     15.70155476     10.89693334    -18.72114285
  O     11.44777088      7.36853577    -14.20804001
  H     15.25822675      6.04980306     -9.73170587
  H     14.96133860     10.23113110    -17.53733523
  O     17.58005792      7.67158676    -12.24348786
  H     14.02628893      6.82974530     -9.23415669
  H     11.77171257      9.57815527    -11.74861030
  O     16.36759787      9.02639477     -8.94103192
  H     17.89948094      8.01983667    -17.99092924
  H     13.22360199     10.05287050    -11.53311874
  O     15.83605080     10.52019443    -17.85460284
  H     16.86225500      9.01989895    -17.44443956
  H     13.87041057     14.08982090    -14.10815234
  O     12.54445836      9.45617957    -11.18351499
  H     15.36762349      6.31740356    -15.46123605
  H     14.69319441     12.95233958    -14.75540762
  O     13.93494977     13.14088501    -14.17386956
  H     15.96922703      6.91795767    -16.75048596
  H     13.12569546      8.78654737    -16.84067522
  O     13.51634077      9.66550209    -16.76613359
  H     18.25782713      8.15347437    -15.53590445
  H     12.90364064     10.23989281    -16.27991465
          69
 Energy    -249.67546651256120     
  O     16.91019672      3.19324748     -7.00396542
  H     16.93136524      2.24075595     -6.97871232
  H     14.79716359      7.49612645     -5.52902238
  O     19.57208788     10.85626339     -8.95834989
  H     16.00436929      3.46272868     -6.76754426
  H     17.56309483      6.16237870    -10.47633707
  O     14.49372024      4.26464567     -6.35875553
  H     19.43967250     10.93820817     -9.91023255
  H     17.28966327      7.66606910    -10.61080966
  O     13.33464388     10.18247311     -7.66487180
  H     20.06061092     10.03550958     -8.82309057
  H     19.54454298     11.50907472    -12.43191053
  O     16.49692285     10.46833047    -12.08597324
  H     14.36719633      4.86602353     -7.10626809
  H     18.23557225     10.81141431    -12.00384515
  O     20.92154443      8.32096842     -8.78807192
  H     14.63931995      4.83333430     -5.59303809
  H     17.63087399      4.52843431     -5.80462719
  O     15.54274020      7.83340957    -12.79552390
  H     13.68090089      9.47931764     -7.10242987
  H     18.32948452      5.89783878     -5.89050617
  O     14.70384493      6.19450503     -8.38878162
  H     14.06994853     10.78472318     -7.84066752
  H     11.34463243     10.06510023    -10.17373088
  O     17.11463372      8.98680020     -7.02687155
  H     15.72451468     11.04095507    -11.97309702
  H     12.56921615     10.04450877     -9.22565351
  O     15.55841981     11.62868681     -8.64047642
  H     16.53202212      9.94025263    -11.27439534
  H     16.66845222      8.95043865     -8.77823010
  O     17.87390041     11.69327900     -7.04495547
  H     21.86937827      8.23030124     -8.73335453
  H     15.52599263      8.62359276     -9.82538321
  O     14.64052187      8.03258867     -6.31636005
  H     20.68306575      8.21143289     -9.72672574
  H     19.68859743      7.35628702     -7.77762771
  O     17.63140300      6.90178004    -11.09466550
  H     15.83672897      8.75097437    -12.85015404
  H     18.31757788      7.70516117     -7.14931933
  O     19.18500110     10.88179481    -11.80928319
  H     16.29435487      7.34136944    -12.43863414
  H     17.93222781      5.85077335     -8.34364508
  O     17.80570851      5.33582750     -5.30525250
  H     14.34344456      6.62887779     -9.17362693
  H     17.25303961      4.45899556     -8.35625618
  O     12.29263637      9.96491329    -10.15699873
  H     15.60192963      5.90619652     -8.60134220
  H     13.35173533      8.49441676    -10.48307279
  O     16.38297829      9.05754006     -9.69496405
  H     17.31003589      9.91590596     -6.85642605
  H     14.40770597      7.76005455    -11.38684085
  O     18.93022997      6.97347987     -7.32131891
  H     16.24903570      8.76103973     -6.65824834
  H     19.83137897      9.08129759    -11.63687944
  O     17.33273221      5.28333599     -8.85119443
  H     15.82437155     10.81299364     -9.08557582
  H     19.29844038      7.64946120    -11.39252915
  O     14.03145359      7.80931709    -10.49535780
  H     16.29981774     11.86019468     -8.06867203
  H     16.28204315      5.90986785     -4.64418046
  O     20.09429316      8.19766062    -11.35236186
  H     18.30509839     12.30581433     -6.45618701
  H     15.36164506      6.08076293     -3.41285001
  O     15.38347176      6.15944802     -4.36277871
  H     18.52278761     11.45269571     -7.73283908
  H     14.65636133     12.04731588    -10.31469009
  O     14.27571185     11.82240721    -11.17366416
  H     14.60770103      7.40904609     -7.05864054
  H     13.52773719     11.24731655    -10.97227532
          69
 Energy    -249.67542492571823     
  O     13.25196575      9.16175130     -9.90808605
  H     12.51188489      9.63894142     -9.54066652
  H     17.82017425      6.50512031    -14.91196999
  O     15.72069744      4.97142417    -12.90647473
  H     13.14446055      9.17934147    -10.87544445
  H     14.72128429      8.51343465    -16.16661032
  O     16.00741320     11.62545162    -13.08727589
  H     15.87778031      4.97529634    -13.85927863
  H     15.84859194      9.47399581    -15.71344234
  O     10.69446127      8.16931682    -15.87523177
  H     14.78172681      4.82261558    -12.73822292
  H     16.21900914      7.98764349    -11.77886068
  O     16.42753730      6.02371140     -8.90227335
  H     15.90229958     11.34897239    -12.16472134
  H     15.73340559      6.81187440    -12.66978753
  O     12.28633446      6.85252071    -13.94179214
  H     15.12285111     11.66354907    -13.46637289
  H     14.66494236      6.22920919     -9.52672447
  O     13.51283409     11.02258150    -14.50189655
  H     11.07109381      7.81346829    -16.68924880
  H     13.59794225      7.30480412     -9.83133548
  O     12.99246236      9.99318116    -18.06975708
  H     11.09503942      7.66237640    -15.15710180
  H     18.35384552      5.38693262    -11.27092127
  O     16.32828732      5.40818923    -15.60328514
  H     16.88251560      5.48648951     -9.57653355
  H     17.01655416      4.71657700    -11.64186704
  O     17.04367312      9.43359124    -14.35058458
  H     16.68396422      5.67823242     -8.05152215
  H     13.27677540      5.42491839    -11.27636193
  O     14.01894549      6.77873249    -16.11232862
  H     12.42320283      6.11532818    -13.33581274
  H     12.53654520      4.14739119    -11.74072317
  O     18.48204136      7.07467477    -14.50634609
  H     12.54775610      7.65228958    -13.45998041
  H     20.28239208      6.99073207    -11.92724736
  O     15.03628750      9.42381845    -16.23591099
  H     12.66589296     11.12925348    -14.95159771
  H     19.05341227      6.92771448    -12.85913128
  O     15.70718781      7.77024465    -12.56966976
  H     14.07197955     10.51894010    -15.11193742
  H     18.13419889      7.87149293    -10.85985530
  O     13.79669553      6.36520456     -9.92542958
  H     13.81741945      9.93629117    -17.56684688
  H     17.08242104      7.56676138     -9.75810487
  O     17.68122190      4.77781186    -10.94089195
  H     12.36295049     10.44011912    -17.49049365
  H     12.50133538      8.33147681    -18.25376677
  O     13.03490874      4.89535436    -12.05918213
  H     16.54032668      4.83794798    -16.33847442
  H     11.98889653      7.11082517    -19.05752735
  O     19.33539509      6.87784133    -11.92885356
  H     15.52560192      5.89733284    -15.85085852
  H     14.94047732     10.16524501    -10.17502514
  O     17.38046054      8.24183086    -10.38169804
  H     16.86313631     10.30109206    -13.95869690
  H     16.43844474      9.88732706    -10.35867323
  O     12.24037565      7.39475631    -18.18336160
  H     16.58747611      8.80066695    -13.77513641
  H     10.32470430     11.33547996    -16.09692753
  O     15.75865927     10.56032608    -10.49417089
  H     13.45113960      6.86731862    -16.88889692
  H     10.92109273      9.91876113    -15.92245214
  O     11.14810518     10.85909807    -16.03331466
  H     13.43809731      6.77452155    -15.33786396
  H     14.16618294      8.62885282    -12.60106597
  O     13.28373156      9.03371440    -12.62244703
  H     18.14039750      7.97796479    -14.58317620
  H     13.32291459      9.79189022    -13.22040278
          69
 Energy    -249.67513373321242     
  O     16.52554199     12.61124264    -16.83017810
  H     16.35454421     13.51664594    -17.07642701
  H     17.94302448      5.06655205    -12.59641589
  O     15.29737960      6.63597180    -13.57539934
  H     15.94500859     12.41642103    -16.07390201
  H     18.15297739      9.66222737    -18.29536254
  O     18.91680452      8.31697721    -12.17000321
  H     15.92464804      6.39849275    -12.87954474
  H     19.51002636      9.51197261    -19.01954774
  O     17.51204692      5.29655411    -17.50039628
  H     14.84594127      7.43476324    -13.27276048
  H     16.38306831      7.51468454    -14.72661143
  O     14.68751345      5.92893546    -17.88306333
  H     19.51621199      7.76309315    -12.68439518
  H     17.59819925      7.71693371    -15.70168921
  O     14.23166801      9.03137860    -12.60961594
  H     18.67761631      9.04202828    -12.76673767
  H     15.25066379     11.85559047    -13.87244596
  O     18.10921164     10.18567275    -14.03724536
  H     17.41893591      4.59213126    -16.84540619
  H     14.21487535     11.32587512    -14.88461661
  O     17.14768851      3.40216000    -15.40410019
  H     16.61569462      5.55829938    -17.73853968
  H     13.60438585      9.33081634    -15.80290393
  O     15.08482720      7.89331910    -10.19343339
  H     14.18183827      5.43442444    -18.52252574
  H     12.20108383      9.84718929    -15.41145699
  O     19.16690785      7.18411855    -16.47850315
  H     14.58366088      5.47283484    -17.02742357
  H     19.96264223      6.87326497    -14.92340182
  O     14.63303834      4.71238366    -15.47554914
  H     14.89193358      9.73765496    -12.53321148
  H     21.25466279      6.55128461    -14.14026564
  O     18.38630716      4.67072190    -13.35686861
  H     13.69554979      9.25046010    -13.38131407
  H     16.43528497      6.71967383    -10.88489860
  O     19.08678711      9.41414601    -18.17021197
  H     18.56912253     10.71713976    -14.69987809
  H     17.72575290      7.04145041    -11.68037405
  O     16.81973480      8.14093476    -15.31927906
  H     17.60433170      9.51246782    -14.51738949
  H     17.97314761      9.31899331    -10.69473336
  O     14.88064677     12.00977481    -14.75157079
  H     17.38086810      2.47847186    -15.36590026
  H     16.59335809      9.14158676    -10.03499609
  O     13.09732522      9.76360197    -15.09520663
  H     17.59078214      3.83204289    -14.65104287
  H     15.79782332      9.70249565    -18.03686453
  O     20.31145796      6.65681798    -14.04181072
  H     14.39733706      7.78358878     -9.54076492
  H     16.45836530     11.09280952    -17.92157102
  O     17.09154971      6.33568368    -11.47820095
  H     14.66293226      8.27747980    -10.97856591
  H     16.83109154     10.85385324    -13.02295815
  O     17.27982231      9.79350164    -10.22015206
  H     19.22914044      7.93824269    -17.07918774
  H     16.46554673     10.82928678    -11.53135096
  O     16.51370747     10.24679736    -18.38560827
  H     18.67138900      6.47998556    -16.92765759
  H     19.23361691     10.86223878    -16.87094379
  O     16.11371777     11.05774181    -12.40203661
  H     14.74501560      5.36498866    -14.77018041
  H     18.28539266     11.99485710    -16.43047415
  O     19.10623577     11.54073823    -16.19734064
  H     15.41198301      4.14376568    -15.42396665
  H     15.48587353      8.49859471    -16.40311789
  O     14.70524998      8.57381282    -16.97637116
  H     19.10837130      5.27007456    -13.58236644
  H     14.59639285      7.70594084    -17.38546066
          69
 Ord_Energy   -249.675018    
 O   -4.77362347       9.00533772      -7.93111944    
 H   -4.69510126       8.04043865      -7.86170816    
 H   -4.09347296       9.29729080      -8.55059719    
 O   -3.57460427       5.41507673      -4.11571789    
 H   -2.91058707       6.08294487      -4.32107544    
 H   -4.40775442       5.89226580      -4.03224134    
 O  -0.461908072       2.70881987      -9.71709061    
 H  -0.927130759       2.95368528      -8.89877415    
 H   0.255378515       2.13436508      -9.46155357    
 O   -1.91013849       3.52313852      -7.55764341    
 H   -2.33286810       3.22936344      -6.73576498    
 H   -1.80014336       4.48068190      -7.48733091    
 O   -7.82901716       6.08536720      -8.65640736    
 H   -7.20957184       5.59921122      -9.22003365    
 H   -7.72043037       7.00978327      -8.90827370    
 O   -7.10327339       8.76945782      -9.42012787    
 H   -7.67175722       9.53476810      -9.36808777    
 H   -6.35130787       8.94200611      -8.83019924    
 O   -5.96153879       2.61227751      -6.77633667    
 H   -6.46057796       1.79867494      -6.77179050    
 H   -5.41818476       2.59732461      -7.58182144    
 O   -4.25442553       2.77917814      -8.94288540    
 H   -3.48698330       3.09143066      -8.44424057    
 H   -3.90196180       2.42189622      -9.77125454    
 O   -2.98722005       9.61826038      -10.0521469    
 H   -3.72181797       9.36054897      -10.6395369    
 H   -2.65068841       10.4493904      -10.3762188    
 O   -2.85786939       2.11021376      -11.1935081    
 H   -2.84022355       2.72964907      -11.9323664    
 H   -1.99335718       2.19019461      -10.7694569    
 O   -6.78098869       5.26440001      -6.25929260    
 H   -7.27455902       5.55449152      -7.04320288    
 H   -6.57510471       4.32771826      -6.37009144    
 O   -2.47072077       4.19119263      -13.1588945    
 H   -2.17958140       4.08911276      -14.0608597    
 H   -1.69216549       4.46395874      -12.6385880    
 O   -1.92148185       6.28593159      -7.39866686    
 H   -2.88920546       6.23827791      -7.46975517    
 H   -1.73449314       6.74809742      -6.57309294    
 O   -1.85700464       7.59497166      -4.93001270    
 H   -2.66739917       8.13197613      -4.99392080    
 H   -1.26068580       8.06199169      -4.35131788    
 O   -5.07248878       8.67656898      -11.4941111    
 H   -4.79210377       7.77690601      -11.7122412    
 H   -5.86028242       8.60557365      -10.9429016    
 O   -3.87933540       6.14104509      -11.7240620    
 H   -3.50866938       5.49582767      -12.3385477    
 H   -3.15849924       6.40559340      -11.1342201    
 O   -4.61904812       6.25985384      -7.74213552    
 H   -4.92097807       5.88102198      -8.57860756    
 H   -5.24221468       5.94538355      -7.07681608    
 O  -0.489984453       4.95452929      -11.4763708    
 H  -0.377915591       4.23789644      -10.8385124    
 H  -0.787195981       5.72783661      -10.9794035    
 O   -6.04884577       6.89736080      -4.21007156    
 H   -6.70518494       6.93613100      -3.51885343    
 H   -6.40520430       6.31221485      -4.90029049    
 O   -1.79298997       7.04173183      -10.0564022    
 H   -1.74177361       6.78466320      -9.12478447    
 H   -2.05266523       7.97087669      -10.0689564    
 O   -3.42224479       2.95932603      -5.38097525    
 H   -4.31898642       2.77021551      -5.67436552    
 H   -3.46979594       3.78334880      -4.87182999    
 O   -5.63513231       4.95555735      -9.97078609    
 H   -5.09168005       5.32656240      -10.6789265    
 H   -5.20884657       4.13750410      -9.68084908    
 O   -4.23370314       8.88548946      -5.15921259    
 H   -4.46853542       9.08951473      -6.07336378    
 H   -4.92188263       8.29731083      -4.82222414    
          69
 Energy    -249.67361410519806     
  O      1.82237709     -1.00946653      2.80428989
  H      1.42866039     -1.50021973      3.53306760
  H     -3.62476326     -1.59665086      4.63594165
  O     -3.43662125      0.48314231     -2.67112720
  H      1.59652419     -0.08476549      2.97763865
  H     -1.87787255     -0.17824874      5.73401254
  O      0.48772718     -2.09661190      5.11960553
  H     -3.12274098     -0.39657903     -2.91533784
  H     -0.89642488      1.00774075      5.68492148
  O     -5.83946064      0.06988308     -1.48577241
  H     -2.69566826      0.91594504     -2.22787369
  H     -3.89492644      1.07541950      1.05260627
  O     -2.63951087     -2.25699512     -2.95420490
  H      1.03972263     -2.38803926      5.84148860
  H     -2.47721454      0.93413707      1.64129540
  O     -0.60065346     -1.34638329     -1.23581725
  H      0.01840683     -1.30538351      5.43435431
  H     -2.06701022     -0.28917226      3.47429890
  O     -3.35239742      2.84465474      3.57377062
  H     -6.52851612      0.39691927     -2.05776520
  H     -0.74326281      0.33057701      2.88804578
  O     -3.94372162     -3.35964353      4.14464980
  H     -4.99254387      0.29639038     -1.91134842
  H     -4.65442932     -2.74085778     -0.37289277
  O      0.66208154      1.53153465      3.01918369
  H     -3.38855190     -2.47905247     -2.37323734
  H     -5.28369213     -1.79100558     -1.40845322
  O     -1.32881797      1.38028184     -1.01594997
  H     -2.66384238     -2.87220876     -3.68211260
  H      1.81627297     -0.79901534      0.97920503
  O     -5.50600444      0.93174062      3.84551855
  H     -0.85451728     -0.41465177     -1.16539780
  H      1.08830066     -0.92764941     -0.39432844
  O     -3.37872165     -0.67468315      4.78570698
  H     -1.18886032     -1.73816691     -1.89258950
  H     -1.84145754      2.84982039      4.46280512
  O     -0.96836997      0.08137533      5.93974305
  H     -4.13244553      2.33776694      3.82401341
  H     -0.90089756      3.59283704      5.43813899
  O     -3.04219729      1.52191570      1.11301935
  H     -3.19845013      2.60536206      2.64967080
  H      1.76938385      2.72763008     -0.07155189
  O     -1.55557892     -0.14289916      2.66922830
  H     -4.31358892     -4.08725099      4.63646599
  H      1.39486886      1.24743563      0.18405982
  O     -4.79241438     -2.61681064     -1.32077565
  H     -2.99826516     -3.56180179      4.00871299
  H     -1.22857709     -3.41806808      2.73278743
  O      1.75835695     -0.42801710      0.08597642
  H      0.20226063      2.13637620      3.61400221
  H     -0.68012270     -3.20789108      4.16584142
  O     -0.97657311      2.80458574      4.90679490
  H      0.74085360      1.93822962      2.14672614
  H     -1.11377938     -2.17042733      0.30386972
  O      1.08081939      2.16766091      0.27714192
  H     -0.50728770      1.76451635     -0.68887454
  H     -1.40097342     -1.60989075      1.71522150
  O     -1.32922350     -3.70394376      3.65129654
  H     -1.97691717      1.49985502     -0.30473592
  H     -4.28722175     -2.88550014      2.33012569
  O     -1.45912581     -2.41182213      1.17123540
  H     -5.55086992      0.62499694      2.92406328
  H     -3.24393166     -2.49472504      1.26426680
  O     -4.19659233     -2.51608245      1.44478532
  H     -6.40618588      1.04280207      4.14106376
  H     -5.67785820      0.06660055      0.34480648
  O     -5.39090008     -0.01893959      1.26306859
  H     -4.14040291     -0.13202134      4.54870650
  H     -4.98161830     -0.89341102      1.34982205
          69
 Energy    -249.67360645886382     
  O     16.09842485     10.39368324    -16.85684325
  H     15.37044066     10.91606243    -16.50030436
  H     20.82334170      9.12440126    -17.73803626
  O     14.27568308      5.77583150    -13.62746172
  H     16.39031343      9.80968647    -16.13645632
  H     17.74652773      8.41153336    -14.75138997
  O     19.30453040     13.30097505    -11.47325018
  H     15.16925807      5.71127389    -13.25660173
  H     16.41355856      8.77461169    -14.00949796
  O     19.62093472      7.86551158    -14.68465572
  H     14.38399400      6.03558739    -14.55070540
  H     13.58691617     10.72139338    -15.27836300
  O     14.79606622      7.13016714    -16.06767015
  H     19.67241539     12.53601209    -10.99505015
  H     13.24308781     12.16717408    -15.71310813
  O     17.52330592     10.17090410     -9.15171176
  H     19.84978352     14.05153766    -11.25501876
  H     17.61807977      8.65799507    -10.29113034
  O     15.54998393      9.15188828    -12.45925637
  H     19.88798275      8.20512379    -15.54902251
  H     18.37756423      8.56815788    -11.62347082
  O     18.44397038     11.88202361    -13.76794323
  H     19.35016550      6.94635070    -14.80723439
  H     13.55999046      8.41909826    -15.44415595
  O     18.36271115      5.46805417    -15.22732589
  H     15.55612673      7.52560653    -15.61339407
  H     12.90768569      8.75864837    -14.09571347
  O     13.08120378      7.84474736    -12.42165652
  H     14.94896541      7.29780628    -17.00334638
  H     19.32454570     10.68866983     -9.71767634
  O     16.88811995      5.82028062    -12.71709453
  H     17.19268978     10.26423423     -8.26218845
  H     20.07229065     10.42208554    -11.03229487
  O     20.03816645      8.91938069    -17.23797579
  H     17.16685512     10.92088635     -9.66058994
  H     19.73338809      8.93945434    -13.29098754
  O     16.81985852      8.63790421    -14.87610781
  H     14.70779902      8.69458242    -12.34791262
  H     19.13734313     10.34596793    -13.02152050
  O     13.96721533     11.60075866    -15.46115147
  H     16.21047894      8.74030359    -11.88630356
  H     16.24772617     12.24120991    -11.46297552
  O     17.70246118      8.12182502    -11.09032465
  H     18.79655040     12.48698783    -13.10328120
  H     17.54412461     12.80498796    -10.86139253
  O     13.05752174      9.10382019    -14.98370598
  H     17.48477153     11.85940976    -13.63870071
  H     18.77404080      7.52686001    -17.59256359
  O     20.06830653     10.99414968    -10.25077138
  H     18.18117521      5.87918988    -16.09106356
  H     17.31542206      7.22032293    -17.97823297
  O     19.53279867      9.57566191    -12.59079022
  H     18.53670732      4.54557402    -15.39679862
  H     15.09997950     11.85703280    -13.95514407
  O     16.73316656     12.33361851    -10.63352105
  H     13.44550478      7.02847259    -12.81405196
  H     15.61342545     10.84200814    -12.90826558
  O     18.10750588      6.82807432    -17.59330159
  H     12.42786477      7.57836749    -11.78193368
  H     18.75859173     11.48912706    -15.57103342
  O     15.70942262     11.75789561    -13.21603892
  H     17.27418531      6.48285646    -12.13344897
  H     17.85241785     11.07345654    -16.74711850
  O     18.77640934     11.18060713    -16.48660652
  H     17.44504477      5.76011700    -13.50161761
  H     15.46392008      8.42657140    -19.39416865
  O     15.77170661      8.20774870    -18.51859923
  H     19.62230900      9.76946873    -17.00515303
  H     15.86443104      9.04613341    -18.03523545
          69
 Energy    -249.67351497030651     
  O      1.49361030      2.26983083      2.49990778
  H      0.90202269      2.55745951      3.20595942
  H      0.93020773     -2.54048881      1.22675941
  O      0.89498237      2.83289245     -0.12123499
  H      1.95067042      1.48960642      2.83428802
  H     -5.20661767      1.71348140      4.07253886
  O     -1.23367652     -1.34912541      4.46797162
  H      1.11870205      2.61710366      0.80085257
  H     -4.47120679      0.50158870      3.45823851
  O      1.25080669     -4.42083320     -1.22430901
  H      1.32738959      3.66064249     -0.31633511
  H     -2.69075995     -0.83366599     -0.37482234
  O     -1.79563288     -2.37494520     -3.32619184
  H     -1.49461760     -0.62993894      5.05953033
  H     -2.71495405     -2.09676636      0.55829353
  O      1.01643858     -2.18098006     -2.75709518
  H     -1.16807817     -0.93745012      3.59282945
  H     -1.90669895     -4.24462066     -0.57385239
  O     -2.25345233      2.56204439      2.38583417
  H      1.88293505     -5.01443633     -1.62078022
  H     -0.65843141     -4.53812861     -1.42122324
  O     -3.08116829     -3.25526626      3.81564558
  H      1.25419880     -3.60910352     -1.76294345
  H     -1.40195318      0.89107674      2.18700851
  O     -1.80252750     -0.05383521     -1.74609377
  H     -1.81637524     -3.10324479     -2.67961861
  H     -1.84207694     -0.42445179      1.49539745
  O      0.96709539      0.31191567     -1.42067408
  H     -2.27081917     -2.67675919     -4.09553969
  H      0.46390195     -2.09480469      4.31161531
  O     -4.61097300     -1.06164066      2.73890205
  H      0.11425754     -2.21595450     -3.09874986
  H      1.17714580     -2.94781361      3.23893250
  O      0.73571944     -3.47665403      1.38815475
  H      1.13493242     -1.28444845     -2.41849592
  H      0.41989200     -0.46141117      1.38709834
  O     -4.34198295      1.39156854      3.83193336
  H     -2.30491631      2.59381531      1.41881756
  H      1.93634628     -0.58166915      1.68480126
  O     -3.06456721     -1.20213883      0.43635503
  H     -3.07995401      2.21878327      2.74968051
  H     -0.55558941      3.99692457      4.68595079
  O     -1.60620376     -4.36467142     -1.48378841
  H     -2.41481296     -2.62157264      4.13369270
  H     -1.13923105      3.01903684      3.63776941
  O     -1.15307706     -0.02936318      2.04735213
  H     -3.26074101     -3.85229345      4.53740833
  H     -1.46739739      1.69420784      5.33448620
  O      1.33463263     -2.38687761      4.00807568
  H     -1.90432724     -0.76887296     -2.38732160
  H     -2.88946452      1.15141955      5.10635587
  O      1.25892369     -0.80000365      1.03405758
  H     -0.84909378      0.07420061     -1.64064033
  H      3.68445156     -0.27408224      3.58488611
  O     -0.49315753      3.10106281      4.36299830
  H      1.03134188      1.24225591     -1.17657183
  H      2.30052139     -0.95862276      3.64285293
  O     -2.07939385      1.00142209      5.61028170
  H      1.14324815     -0.16776457     -0.59519432
  H     -2.43941920     -3.66646680      2.08553006
  O      2.78151061     -0.18833205      3.29075545
  H     -4.23627877     -1.06052512      1.84648028
  H     -1.07541713     -3.61926565      1.34097689
  O     -2.03438236     -3.66149245      1.21031175
  H     -4.24631311     -1.84314897      3.16909925
  H     -2.06192762      1.68195088     -0.87249402
  O     -1.94318437      2.46063446     -0.31679188
  H      0.99700818     -3.93383042      0.57915266
  H     -0.99387756      2.64295602     -0.31207336
          69
 Energy    -249.67314003701966     
  O     13.06641774     13.37023647    -14.05046227
  H     12.76073339     12.85065500    -13.28585336
  H     18.02979227     13.92071593    -16.24590357
  O     20.55095290      7.78941226    -11.41205343
  H     12.39147585     14.02030870    -14.22695837
  H     12.75889266      8.72094151    -14.32658788
  O     17.80272681     11.15627179    -12.07842508
  H     21.37326503      7.64626576    -10.95133260
  H     14.02098462      8.33791137    -15.10593053
  O     12.84826250      9.06769427    -12.39653134
  H     20.76345699      8.29400305    -12.21784962
  H     15.02860290     10.87210737    -13.91232437
  O     16.51868620      6.83267189    -12.06897133
  H     16.98155463     10.90558019    -12.52779072
  H     15.57421256      9.48791041    -13.52387062
  O     14.06628025      7.17532878    -10.65158708
  H     17.62332495     11.99316280    -11.63216269
  H     13.65016770     11.99584985    -15.17199178
  O     19.03676906      5.99726314    -13.06668849
  H     13.66719004      9.49939328    -12.67274536
  H     13.69358628     10.45539841    -15.51003755
  O     17.98540578      9.02713531    -15.78905538
  H     13.12382343      8.35984383    -11.80113504
  H     16.43341119      8.99033312     -9.67399098
  O     18.01918294      8.76413574    -10.70176022
  H     17.02805452      7.50534620    -11.59258647
  H     15.25060559      9.98785790     -9.65658406
  O     16.56412075     11.21253097    -16.95849790
  H     15.66374166      6.77626555    -11.62627252
  H     20.75784221      8.38208313    -14.43923650
  O     19.87794935      6.99571243    -15.44908953
  H     13.65272201      6.58131778    -10.03057703
  H     20.54661112      9.85536398    -14.03153906
  O     17.71050792     13.25498022    -15.64202556
  H     14.53586428      7.84994491    -10.12675417
  H     14.94747815     13.77065683    -13.79788437
  O     13.15661580      8.76218923    -15.20483765
  H     18.12920214      6.08897847    -12.75086870
  H     16.42726674     13.68466300    -14.29441021
  O     15.36710307     10.36306867    -13.16328500
  H     19.58625675      6.46798800    -12.42719357
  H     17.08819859     14.37369827    -10.65626662
  O     14.19839388     11.28376997    -15.52078631
  H     18.62549853      8.30509247    -15.82317339
  H     16.45751992     13.75441019    -11.93202414
  O     15.51036633      9.09149290     -9.40767623
  H     18.41636609      9.75227238    -15.31517619
  H     12.23700210     10.87275816    -12.06313280
  O     21.00398645      9.04313829    -13.77992059
  H     18.91602510      8.42218316    -10.80464820
  H     13.07931530     11.88072840    -11.27829153
  O     15.86721299     13.88824004    -13.53519181
  H     18.00643170      9.62766974    -11.13831600
  H     18.82967258     11.16734168    -13.53960294
  O     16.79453773     13.55214632    -11.03852243
  H     15.68188857     11.19985078    -16.55843345
  H     18.87098332     11.93511215    -14.87233426
  O     12.36622879     11.82000015    -11.92787960
  H     16.97908455     10.36754107    -16.74826514
  H     14.97745400     11.14919009    -11.46554654
  O     19.22801713     11.16051194    -14.42271701
  H     20.25495188      6.31095028    -15.99457704
  H     15.44593068     12.31488715    -10.57446065
  O     14.83246426     11.57034231    -10.60610087
  H     19.54625792      6.56355375    -14.64147270
  H     16.56581396      8.27609862    -14.97237616
  O     15.78864939      7.99409451    -14.46947153
  H     17.29476471     12.56063430    -16.18584966
  H     16.08403471      7.46056793    -13.71964299
          69
 Energy    -249.67246226062866     
  O     15.31528445     12.24853594    -11.23801362
  H     14.82608479     12.43287263    -10.42641380
  H     11.58943876     11.30448784    -10.48454988
  O     17.31625968      8.31107496     -7.11535613
  H     16.08366895     11.73596146    -10.96099172
  H     15.62957668      9.45542106    -13.76532371
  O     17.79498161      6.32542691    -10.22692802
  H     18.02148306      8.46250195     -7.75710235
  H     14.63619612     10.42023232    -14.41348511
  O     16.61634571      5.74567670     -7.70565541
  H     16.70060534      9.04827793     -7.21304110
  H     18.69001869      7.73889298     -9.73208958
  O     17.18977576     10.43615355    -10.03422212
  H     17.19557963      6.13027122    -10.95657254
  H     20.05118031      8.41372431     -9.43498497
  O     13.95008016     12.55825054     -8.75067719
  H     17.36503162      6.00414304     -9.42334203
  H     13.69587031      6.75361757     -8.31927731
  O     10.55605511      7.46883491    -10.66728950
  H     16.81671391      6.65312116     -7.41502312
  H     14.82174622      5.70816722     -8.25619623
  O     15.42295064     10.30876906     -7.85699888
  H     16.95571498      5.16184203     -7.03203790
  H     12.47709504     11.14748552    -12.77827260
  O     13.69625792      8.92299904    -11.00293398
  H     17.96846039      9.91045571     -9.81049919
  H     11.38748737     10.01599405    -12.70293657
  O     13.17495120      6.22656578    -11.13073528
  H     16.58585602     10.36997108     -9.28047833
  H     13.18397957      6.64680270    -14.26550349
  O     14.93774218      6.91886841    -14.88616842
  H     13.77527103     13.39708158     -8.33208759
  H     12.58188032      6.23599607    -12.90907441
  O     11.58681085     11.50042568     -9.53737523
  H     13.08501461     12.18292282     -8.99548722
  H      9.80471348      8.41129795    -13.95657909
  O     15.11140445      9.59920698    -14.57351384
  H     11.30722535      6.86971425    -10.73791862
  H     11.18825457      7.81737998    -13.60111561
  O     19.10920634      8.53238164     -9.35178418
  H     10.42837482      7.83451940    -11.55076244
  H      9.81438979      8.85267997     -7.90443696
  O     13.91632958      5.84267137     -8.55986643
  H     14.99447647     11.15580887     -8.03218672
  H     10.50224334      8.48765797     -9.24027117
  O     11.87298438     10.67509356    -12.19017653
  H     14.71060721      9.65304222     -7.89524251
  H     14.97171223      6.05687759    -11.82960702
  O     12.34804425      6.54487566    -13.79460338
  H     14.55214639      9.06421536    -11.42473887
  H     15.62623494      6.33213927    -13.19697520
  O     10.54323928      8.50701794    -13.36110975
  H     13.06741560      9.54412764    -11.38958734
  H     13.93754757     12.84792654    -14.00462696
  O     10.56253304      9.06268786     -8.45673752
  H     13.40056466      5.92410294    -10.23701457
  H     14.45272767     12.10652244    -12.75066277
  O     15.82371896      6.19771698    -12.26081216
  H     13.32907786      7.18592442    -11.14765695
  H     13.49330760      8.74144573     -9.23924301
  O     13.91304406     12.00657441    -13.55630688
  H     15.27755768      6.66113635    -15.73902045
  H     12.39171419      8.74550864     -8.15752189
  O     13.33107803      8.57762016     -8.29595075
  H     14.96329964      7.89256125    -14.85707336
  H     16.28606201      8.03374532    -12.05030433
  O     16.23363949      8.99076819    -12.16200730
  H     11.16655541     10.74408143     -9.11185152
  H     16.66475017      9.42466076    -11.41454662
          69
 Energy    -249.67237650510782     
  O     11.77038817      9.46136230    -14.61788172
  H     12.43892152     10.09664966    -14.34445696
  H     16.51919871      5.78441410    -14.48092137
  O     16.58902093      6.79166445    -12.90367419
  H     12.20884636      8.86073573    -15.24022592
  H     20.31435345     10.26912239    -14.58530538
  O     16.27936642     10.88979335    -11.54882137
  H     15.91699743      6.74512334    -12.20880377
  H     18.86433576      9.80899036    -14.87771124
  O     15.34799631     12.70550556    -15.07726481
  H     17.24311540      7.44147801    -12.61464126
  H     16.64901212     10.42846290    -16.92016801
  O     13.49767051      5.03350580    -15.24232862
  H     15.90426624     10.71932639    -10.67261819
  H     15.62090939     11.52809575    -16.63596494
  O     14.94035811     10.09760380     -9.28611205
  H     15.53730759     10.90317955    -12.16507666
  H     14.64390392      8.26503896    -15.09266130
  O     14.59497657      6.95859589    -10.99122001
  H     15.21578869     13.63307058    -15.25650129
  H     15.68883385      7.94664615    -13.96671067
  O     14.12429370     10.80021000    -13.44549485
  H     16.19635094     12.62981304    -14.60484767
  H      9.95474214      8.04492463    -12.42171946
  O     17.29586666      6.84729151    -17.46101379
  H     13.21602464      5.27163336    -14.34035571
  H     11.12816917      8.52587848    -13.31142870
  O     15.95069680      7.48209024     -8.58380908
  H     13.02806089      4.23707036    -15.47518724
  H     18.47437600      8.24894634    -10.38113212
  O     17.65971116      9.13620795    -15.92227727
  H     14.15213067      9.87558128     -9.80055120
  H     19.38506228      8.01887299     -9.16447282
  O     16.31098479      5.44648529    -15.36198683
  H     15.26445799      9.26356442     -8.92649200
  H     12.02816552      6.48711291    -12.69948278
  O     19.44544737     10.19845274    -14.19956135
  H     15.01818398      7.00941371    -10.12561307
  H     13.37331420      6.04101268    -12.09743033
  O     15.89325327     10.89076868    -17.30465379
  H     14.11383212      7.79015941    -11.10849154
  H     17.24718681     11.97925823    -12.75103614
  O     15.31992940      8.64871701    -14.51749141
  H     14.39499715     11.55099520    -13.98936735
  H     18.30520589     11.71104199    -13.83328347
  O     10.90258156      8.00994277    -12.51555258
  H     14.55925018     10.01637147    -13.82512881
  H     17.49862378      9.59486895    -11.83394833
  O     18.49528231      7.88617400     -9.48153267
  H     17.76745340      6.25754293    -18.04251898
  H     18.74172223      9.30559567    -12.71301901
  O     12.72180396      5.82030550    -12.77468091
  H     16.95271478      6.30415217    -16.72811924
  H     15.17636377      9.30370435    -17.97574564
  O     17.59459952     12.31464457    -13.58869207
  H     15.96164519      7.05867970     -7.72938969
  H     15.72944544      7.86031462    -18.05362421
  O     18.18256535      8.93363591    -12.02100315
  H     16.87808072      7.59515897     -8.85484226
  H     13.34360116      9.88928933    -11.98903272
  O     14.92719216      8.38506458    -18.15485454
  H     16.83106190      9.04438843    -15.42725115
  H     12.24323121      8.89322673    -11.55380179
  O     13.06819678      9.30663604    -11.26933184
  H     17.69965959      8.37107736    -16.51018977
  H     13.75579364      7.89391354    -16.94632308
  O     13.26514131      7.69796663    -16.13220402
  H     15.37283345      5.22045574    -15.34591760
  H     13.28700606      6.74746083    -15.97259475
          69
 Energy    -249.67200243332280     
  O     13.12259852     10.84659865    -16.37642518
  H     13.72920422     11.49967484    -16.01014615
  H     16.64262025      5.89239808    -15.70175319
  O     15.34508276      6.58127271    -12.97268956
  H     12.45820119     10.66330729    -15.70090202
  H     18.74875776      7.43956712    -14.28362284
  O     16.86431472     10.51392337    -11.25444050
  H     14.46945376      6.76330892    -12.60614579
  H     19.08887789      8.69400893    -13.43798594
  O     17.34090855     10.81731985    -15.30219964
  H     16.00020958      6.86753349    -12.32225139
  H     15.41055879     13.44165637    -15.66749981
  O     13.41967793      6.16571462    -16.59300186
  H     16.53491850     10.55917839    -10.34786870
  H     16.01415307     12.04474933    -15.39497638
  O     12.92420345      9.69737850     -9.25175008
  H     16.12814117     10.76561559    -11.83088977
  H     15.13801377      8.74968510    -15.38991165
  O     12.86769064      7.28270304    -11.97668023
  H     18.01633866     10.88507282    -14.61686914
  H     15.50900786      8.06643749    -14.03461840
  O     14.79097264     11.04662086    -12.99618334
  H     16.77505933     10.07398635    -15.03642793
  H     11.32492707      9.04521793    -14.59315042
  O     17.34912090      8.94426437    -17.44521085
  H     14.27203042      5.87330910    -16.22121804
  H     10.20877303     10.10810458    -14.73008397
  O     13.11044638      6.98720476     -9.19401770
  H     13.11395802      5.46548050    -17.16324726
  H     16.41492314      7.43659418     -9.63634004
  O     18.28199805      6.81609450    -16.02263354
  H     13.80489854     10.06040290     -9.10166216
  H     15.02284173      7.23005147     -8.97641789
  O     15.78486192      5.51703175    -15.47200158
  H     12.66444116      9.94953010    -10.14846890
  H     12.32605956      6.92012655    -15.25039278
  O     18.98430918      7.73704407    -13.39611321
  H     12.88457183      7.01811156    -11.04871042
  H     12.11850541      7.14172324    -13.72570321
  O     15.20972969     12.58332280    -15.30352639
  H     12.73590835      8.24139495    -11.98107873
  H     18.29855213     10.64395271    -12.34792013
  O     15.50121241      8.90596772    -14.50834662
  H     14.84947393     11.76809003    -13.63258983
  H     19.76224362     11.03663213    -12.64441093
  O     11.12602158      9.99495987    -14.49421036
  H     14.95596494     10.23481512    -13.50533347
  H     17.07173917      8.63886215    -11.27653236
  O     15.89941278      7.60737153     -8.83589231
  H     16.38758618      8.84388957    -17.50629014
  H     17.93258245      7.55694198    -11.96079011
  O     11.78460688      7.38164501    -14.59937195
  H     17.49714596      9.72436367    -16.89715624
  H     15.95115757     10.64321048     -7.85524146
  O     18.98497132     10.64522506    -13.03568706
  H     12.55760226      6.58901065     -8.52688263
  H     15.80826512      9.33452704     -8.67022169
  O     17.23769277      7.68736774    -11.29751099
  H     12.97684865      7.95126580     -9.13415056
  H     11.85092706     10.12519822    -12.76877556
  O     15.70891731     10.30383087     -8.71293945
  H     18.95865767      6.36900805    -16.52575730
  H     13.26017885     10.49496271    -12.27238802
  O     12.43241195     10.07238120    -12.00019060
  H     17.97806776      7.56166538    -16.56844161
  H     14.08155127      7.84665577    -17.09181090
  O     14.58668170      8.66701821    -17.13782462
  H     15.65114649      5.72151475    -14.53470849
  H     13.98544616      9.41425507    -16.99434334
          69
 Energy    -249.67149980537187     
  O     16.24216232      9.23216084    -16.41123888
  H     16.78571516      9.08364379    -15.62593589
  H     17.03009627     10.18135234    -17.61881747
  O     14.68610589     12.57423425    -15.59577722
  H     15.35548258      9.43828167    -16.09189466
  H     15.89616062     12.47509076    -11.20488474
  O     19.57277643     10.63695942    -10.78530377
  H     14.15063308     11.77337129    -15.56475690
  H     14.67506440     12.36671765    -10.26715731
  O     19.92272068     13.25116532    -11.73560667
  H     15.49333403     12.35113567    -15.10825739
  H     18.96757464     15.97941122    -12.81717903
  O     14.43798009      9.81301050    -12.68019635
  H     19.76025485     11.57810773    -10.89660868
  H     20.42306659     15.78449181    -13.27860283
  O     17.05973865      9.75613104    -10.06910930
  H     19.89396550     10.22177921    -11.59306865
  H     20.12780490     12.25063562    -15.03877802
  O     17.73284240      9.14901507    -14.01625802
  H     19.97941173     14.21513618    -11.81022870
  H     21.14979835     13.25738381    -14.48421469
  O     15.83370435     13.08180097    -18.09926911
  H     20.19981514     12.90595330    -12.59379090
  H     16.67359706      8.51519280    -11.16565295
  O     18.78673981     14.98337694    -16.17723175
  H     14.64235214     10.54591047    -12.08706834
  H     16.33266332      7.04213966    -11.50920868
  O     18.78609209     12.22144502    -16.21670182
  H     15.01166681      9.08540597    -12.41207233
  H     16.29938231     14.73521943    -17.93967716
  O     13.70074647      9.95783771    -15.27725630
  H     17.95779140     10.08327967    -10.23165350
  H     16.29830450     16.19625873    -18.45317384
  O     17.50859138     10.76518272    -18.23593684
  H     16.46156464     10.50242956    -10.18792137
  H     20.40106081     15.17722216    -15.45142122
  O     15.24910075     11.85403101    -10.83126828
  H     17.34012274      8.65108930    -13.28674741
  H     21.87502357     15.64381842    -15.41952430
  O     19.87415790     15.90051765    -12.49323376
  H     18.67044775      9.27136311    -13.82513056
  H     16.42986112     15.58340028    -14.14660864
  O     20.78169014     12.37845724    -14.33384598
  H     15.34970597     12.88114465    -17.28539770
  H     17.88370476     15.30867922    -14.53968480
  O     16.42093834      7.91101719    -11.88940966
  H     16.38642428     12.31213122    -18.27270287
  H     20.66104582     10.66274963    -13.74189135
  O     16.55072225     15.65012958    -17.71390889
  H     18.09046231     15.33601791    -16.74585613
  H     21.23580761      9.24786020    -13.52931498
  O     21.22674988     15.13547254    -14.93841792
  H     18.76875479     14.02048463    -16.28213389
  H     17.12602255     10.88508400    -14.04926596
  O     17.32361745     15.51266078    -13.77997183
  H     18.48595624     11.72466624    -16.98597666
  H     17.06438182     12.32013731    -13.41677223
  O     20.44658599      9.77350164    -13.41743603
  H     18.11245029     12.09982377    -15.52792238
  H     14.73815270     14.46017171    -15.32048617
  O     16.97674818     11.82094977    -14.23741920
  H     13.92861130      9.90770292    -14.33090813
  H     15.41711983     15.59881407    -16.09958976
  O     15.00987590     15.38514919    -15.25149150
  H     12.85862759      9.52302585    -15.37958460
  H     17.12386265     14.21095277    -12.55062070
  O     17.16502249     13.42380851    -11.98831453
  H     17.73882219     10.23439353    -18.99317143
  H     18.09642577     13.29962878    -11.76169081
          69
 Energy    -249.67122497095505     
  O     15.54752468     13.43170954    -11.67967999
  H     15.91088649     13.73497030    -10.82786265
  H     14.27800818      9.41362238     -7.25092265
  O     17.70319736      6.67237079     -3.95139171
  H     15.02899071     14.15061385    -12.03023177
  H     19.77862844     10.74708699    -10.91047704
  O     15.14332244      7.52142313     -4.26773891
  H     16.76590945      6.90026942     -4.08985001
  H     18.72999645     11.62160726    -11.68900299
  O     13.65314310     10.85430990     -8.13329454
  H     17.72329203      5.77561681     -3.62894409
  H     20.23735182     10.30233768     -7.70709482
  O     19.42870343     13.80529364     -9.31553878
  H     14.91267319      7.85596344     -5.14595627
  H     20.12374103      8.82291613     -7.29722351
  O     19.18169935     11.85029209     -7.31207808
  H     15.02282273      8.26176024     -3.66198711
  H     16.18743747     13.71056031     -8.46985901
  O     20.47340882      9.05550267    -10.60238351
  H     14.04299097     11.65795343     -7.77189125
  H     17.51820816     14.06205232     -9.18977563
  O     17.10325977      8.19182501     -8.21233522
  H     13.94768169     10.82187536     -9.05453086
  H     17.97458241      8.30176860     -2.93196499
  O     15.69020850     10.94735636     -5.20200348
  H     20.05370447     14.44870934     -9.63894343
  H     18.29248398      9.76762532     -3.28753092
  O     14.92010183     10.92657936    -10.59314940
  H     19.45295812     13.05373821     -9.93423350
  H     16.74177244      8.69339808    -11.92302282
  O     15.20933603     13.03608745     -6.95403995
  H     18.41597191     11.48376172     -7.78165130
  H     15.71798618      8.57871839    -13.07602923
  O     14.81485203      8.79637394     -6.73197235
  H     19.42388670     12.64065716     -7.80651836
  H     16.42669808     10.92720883     -9.46682862
  O     19.29148898     11.57981831    -10.89916827
  H     21.29175298      8.67447229    -10.90912019
  H     17.94805094     11.01451455     -9.73168790
  O     20.54681282      9.41568806     -7.93124861
  H     20.54376912      9.13215878     -9.63309957
  H     18.84399827     11.19367207     -5.64442081
  O     16.55814404     14.10974336     -9.26654253
  H     17.73021055      8.05840376     -7.48897169
  H     17.48940135     10.78569309     -5.03094932
  O     17.92560138      9.20407210     -2.59217625
  H     17.20527992      9.11283565     -8.49961396
  H     18.57722237      7.48827195     -5.38828403
  O     16.10279078      9.19593725    -12.45977589
  H     15.45136520     10.72996030     -4.29182270
  H     18.74645818      8.99548636     -5.66192944
  O     17.29025747     10.81387297     -9.05206525
  H     15.41760799     10.19359674     -5.74651258
  H     18.78316441      8.20733471    -10.85451256
  O     18.44509718     10.65343689     -4.94982317
  H     15.00928443     11.79297412    -11.01127644
  H     17.57971313      7.79753437     -9.98114444
  O     18.87619503      8.11924999     -6.05390060
  H     15.22235239     10.27022703    -11.23409922
  H     16.23647926      9.67587796     -2.50477790
  O     17.87485350      7.88580839    -10.89751144
  H     15.44355408     12.35598210     -6.30188327
  H     14.94496062     10.11092995     -1.76981794
  O     15.29815947      9.90662696     -2.63099712
  H     14.74581841     13.71732612     -6.47012445
  H     16.81255298     12.33403898    -12.59928534
  O     17.45451704     11.67571188    -12.89485314
  H     15.53363431      8.48549385     -7.29861838
  H     16.99717963     10.82500901    -12.87803600
          69
 Energy    -249.67090470881377     
  O     18.50006038      8.87259267     -7.13046390
  H     18.71075393      7.97238498     -6.85482761
  H     19.69749536      5.82649450     -6.99094021
  O     19.12745468      4.69988514    -10.37119082
  H     19.32542741      9.30293888     -7.38481027
  H     17.28069663      9.05175550     -8.37086155
  O     18.97545932      5.85637622    -14.04044142
  H     19.03204007      5.66761140    -10.36658455
  H     16.17108645      8.25624753     -9.14829999
  O     17.99397616      8.27025141    -12.75751026
  H     18.56359998      4.37352072    -11.08685146
  H     20.37572101     10.57307827     -9.06145661
  O     22.61699725      7.67825461    -11.90449134
  H     18.39826753      5.18000945    -13.66208103
  H     21.22948432     10.96844063     -7.83155666
  O     17.33089119      4.17514375    -12.40066147
  H     18.57783039      6.70546720    -13.81549656
  H     20.67218595      5.03878513    -11.66423134
  O     20.68402441      9.59753118    -12.73861831
  H     17.62630068      9.12868526    -12.50902819
  H     20.48793181      5.60711914    -13.07540162
  O     20.87579054      5.34464943     -8.17839663
  H     18.40411163      7.91991566    -11.94912493
  H     14.14475457      3.82401301    -12.10153401
  O     15.13369692      3.07597316     -9.08084213
  H     22.14113998      6.85036857    -12.10294918
  H     14.30744585      5.34723260    -12.28091220
  O     21.49147508      7.79200016     -9.35375255
  H     23.49501968      7.58629455    -12.26390733
  H     14.52554720      6.21715992     -9.26753279
  O     18.88958240      7.42686923    -10.30103665
  H     16.73182342      3.43141072    -12.26522893
  H     16.02920612      6.02630555     -8.92868012
  O     18.95068759      6.11689527     -6.43700936
  H     16.79331538      4.97435880    -12.29434374
  H     16.43475346      7.17847167    -12.40020214
  O     16.77571393      9.00898247     -9.19789876
  H     21.37049829      8.94667827    -12.54514142
  H     15.71365631      6.62213097    -11.13639349
  O     20.77700582     10.23500589     -8.23881087
  H     19.90604652      9.10215254    -13.01106103
  H     18.77394495     11.02510690    -10.81301987
  O     21.14528226      5.48084397    -12.37423930
  H     21.22940558      6.16865036     -8.54499900
  H     20.15281793     10.60315417    -11.33349485
  O     13.66157178      4.65954001    -12.07173637
  H     20.43053541      4.89981353     -8.90887271
  H     17.70691108      5.23758727     -7.55105741
  O     15.39072469      6.64165951     -9.31722328
  H     15.86711935      3.56106922     -8.68202171
  H     17.87809125      4.66554662     -8.97759749
  O     15.83066508      6.49596441    -12.08887970
  H     14.37505741      3.67235506     -9.05491391
  H     13.17277215      4.92177887    -10.40763497
  O     19.70662481     11.01116455    -10.57621671
  H     21.99206049      7.85992315    -10.17743971
  H     12.14927530      5.10539165     -9.25890379
  O     17.22760590      4.82717747     -8.28130807
  H     21.41495207      8.66876958     -8.95573637
  H     16.27248586     11.17476184    -11.50012194
  O     13.08235443      5.06011609     -9.44728214
  H     19.77302584      7.64244401     -9.97401896
  H     16.83408575     10.05029183    -10.59466589
  O     16.98675067     10.54847101    -11.41793682
  H     18.25036703      7.96159045     -9.81592996
  H     15.16458324      1.41123184    -11.81048940
  O     15.32865832      2.34346681    -11.69734477
  H     19.14485371      5.83969328     -5.54503467
  H     15.29054427      2.52358992    -10.74089924
          69
 Energy    -249.67069441003673     
  O     14.54408311      9.90773097    -15.90541133
  H     13.79586094      9.47660387    -15.47514822
  H     20.17067157      6.33311528    -14.95299512
  O     14.11347500      4.00271679    -16.27295246
  H     14.63269721      9.49661782    -16.77347232
  H     17.53080269      7.45421703    -16.50088747
  O     17.93811638      6.48607489    -11.92814067
  H     14.15082752      3.95853550    -15.30994243
  H     19.01961310      7.10702973    -16.76119461
  O     16.49648994      6.64603220    -18.88741473
  H     13.76430376      4.88430343    -16.46897076
  H     15.29916106      6.69588645    -15.82834377
  O     13.81567955      5.82004432    -10.17635956
  H     18.75591530      6.78372697    -12.34767357
  H     16.10767136      7.25608070    -14.62375159
  O     14.21060682      4.34251526    -13.43609288
  H     17.65982532      5.66658715    -12.36568671
  H     11.51677613      8.66313366    -14.45993087
  O     15.99550295      8.13443266    -13.01094093
  H     17.26374762      6.99351786    -18.41114509
  H     12.73083991      7.89979103    -13.88150216
  O     17.71027649      4.45700313    -15.71503070
  H     16.41789805      5.71609287    -18.64549620
  H     16.56201860      4.02136690    -10.03783560
  O     13.75137980      3.05488115    -10.96187594
  H     14.73732404      5.90522715     -9.90243446
  H     16.76843882      3.36151221    -11.40942978
  O     18.98676287      9.38588110    -14.88192668
  H     13.67295008      4.87750516    -10.32859656
  H     13.02331541      7.21607964    -15.95110975
  O     16.19471519      3.88799207    -18.01076605
  H     13.94806891      5.25437842    -13.25402177
  H     13.76771297      7.26842932    -17.31172468
  O     20.08272225      5.94725989    -15.83158880
  H     13.93426297      3.81925471    -12.67259017
  H     19.73793017      8.20219218    -13.86135117
  O     18.30356140      7.70247952    -17.03136833
  H     16.73639441      7.68886143    -12.57868262
  H     20.99643591      7.74711346    -13.08575771
  O     16.18301164      6.76302809    -15.44924256
  H     16.25871379      9.02497401    -13.27204160
  H     17.36419744      4.06822848    -13.97476833
  O     12.40917837      8.39112389    -14.65751922
  H     17.36139533      4.08445063    -16.53260648
  H     16.02453599      4.25100678    -13.22851492
  O     16.42870675      3.19521732    -10.51866739
  H     17.18078472      5.25653711    -15.56175839
  H     17.15459289      6.17925324    -10.33671317
  O     13.53260924      6.68648033    -16.57691004
  H     13.34401612      2.25486994    -10.64198381
  H     17.07743972      6.27070587     -8.79729765
  O     20.11691759      7.47451671    -13.33504329
  H     14.70104115      2.99195669    -10.75400290
  H     15.27888491      7.85225438    -18.64769210
  O     16.97958679      4.16499972    -13.09391908
  H     18.81047062      8.95736050    -15.73066084
  H     14.29833367      8.88292716    -19.25059860
  O     16.64286939      5.89784268     -9.56060259
  H     18.19876036      9.89983194    -14.67244156
  H     13.51802116      6.65947636    -11.72720958
  O     14.57128835      8.48532257    -18.42822800
  H     15.42934451      3.86484517    -17.40765427
  H     14.41320220      7.44627949    -12.72379137
  O     13.55954941      6.99447826    -12.63445995
  H     16.09752554      3.14851638    -18.60477644
  H     16.39613888     11.52428701    -13.94696789
  O     16.52061101     10.61274347    -14.19691911
  H     19.37450553      5.29054500    -15.76725249
  H     15.83478028     10.40667543    -14.85782586
          69
 Energy    -249.67062044837780     
  O     10.85274075      9.53464862     -9.21571793
  H     11.46808535      9.83093685     -8.53355396
  H     13.50215346     12.06006691    -14.12714964
  O     13.85138942      8.77795152    -16.87230188
  H     10.75537613     10.28315943     -9.81804632
  H     17.35277116     10.35543866     -9.91679244
  O     11.38714504      7.29812170    -10.67622103
  H     13.03447807      8.30437715    -16.63109162
  H     17.16330978      9.55991357    -11.23848423
  O     14.72030459      8.59491537    -14.18947317
  H     14.19013679      8.35880269    -17.65929307
  H     15.65721278      7.84765660    -11.29771872
  O     12.24353011     11.17893209    -16.87805307
  H     11.15560679      8.07169291    -10.13168688
  H     15.93486915      8.14815923    -12.77642957
  O     12.10451083      8.18728019    -13.26881172
  H     10.80234811      6.59219141    -10.41436379
  H     11.81695013     14.71753538    -11.72976584
  O     14.87070342      8.66687579     -7.65965476
  H     13.85831154      8.39220419    -13.79582854
  H     11.87876430     13.17932773    -11.61794747
  O     13.75263324     10.55458496    -10.91988282
  H     14.58113668      8.62349809    -15.14372043
  H     13.98653934      8.82140460    -10.48857323
  O     12.74823327     10.59222903     -7.35016730
  H     12.47306829     11.76276236    -16.14300329
  H     13.24816777      7.47954180    -10.33753010
  O     14.97537271     13.79510747    -10.75323923
  H     12.90980607     10.48098074    -16.90138964
  H     17.25410646     11.79157434    -11.78917980
  O     11.20105197     11.54677372    -11.17271942
  H     11.84339763      7.82539640    -12.41423225
  H     17.84307696     12.92121482    -12.67298906
  O     12.69257399     12.51125340    -14.41748767
  H     11.64794333      9.03432674    -13.37029748
  H     10.27323216     10.38059698    -14.53475013
  O     17.48449445     10.39647745    -10.86974528
  H     14.09749123      9.18992079     -7.41757498
  H     11.43035724     11.25850575    -14.00444476
  O     16.36066914      8.09565394    -11.91229406
  H     14.64960770      8.25246440     -8.50601912
  H     14.81551449     12.76957456     -9.32114550
  O     12.33233997     13.95577173    -11.98545966
  H     14.18454902     10.80675838    -11.74627388
  H     15.50881452     11.63642797     -8.48023606
  O     14.10959682      7.89524814    -10.22515848
  H     14.14777854     11.06962644    -10.20510649
  H     14.97131157     10.31557147    -13.70567279
  O     17.02396018     12.55704495    -12.35058654
  H     12.48932231     11.03109193     -6.54314808
  H     15.69009566     11.62853687    -13.18122408
  O     10.76581505     10.60587528    -13.73670335
  H     13.36660062     11.19001430     -7.80374195
  H      9.17570424     10.21207611    -16.93123955
  O     14.65958158     12.04030969     -8.70186986
  H     14.16299853     13.88253093    -11.26492029
  H     10.67456639     10.44490299    -16.61627247
  O     14.84211424     11.22556416    -13.40472909
  H     15.66087743     13.47548756    -11.35314197
  H     17.54606902     10.38379922     -7.39885150
  O      9.87250687      9.97119030    -16.32743505
  H     12.07680520     11.14275864    -11.05214653
  H     16.23346842      9.72894062     -7.89238883
  O     16.88230855     10.43066596     -8.08149772
  H     10.85612045     11.20542935    -12.00984665
  H     11.67325869      7.65436168    -15.02754385
  O     11.53253266      7.66110490    -15.98440745
  H     12.52509252     13.18623134    -13.75064964
  H     10.83964027      8.31390322    -16.14485880
          69
 Energy    -249.67049370863725     
  O     16.48349380      8.26293300    -16.66167654
  H     16.99141789      8.35299228    -15.84401996
  H     15.43431504      5.20331218    -17.31311093
  O     17.51387357      1.65322086    -12.53915242
  H     15.56385830      8.14740733    -16.39240932
  H     19.21822023      1.95287848    -12.74475349
  O     20.39656815      6.85574074    -14.74835814
  H     17.19767298      1.70873186    -13.45094727
  H     20.71848114      1.65335828    -12.50248145
  O     14.15078222      2.71080898    -15.77919471
  H     16.90494040      2.17889316    -12.00643269
  H     13.39558190      6.04960226    -10.05897655
  O     14.15017533      4.49108169     -9.15794506
  H     20.27555655      6.22294569    -14.02716077
  H     13.78505455      7.53784750    -10.04426811
  O     16.27904973      7.94542154    -12.04950710
  H     20.33200553      6.33518490    -15.55812250
  H     19.76001570      4.03244872    -12.87508800
  O     19.62540211      2.69901380    -15.76473194
  H     13.43184162      2.20509711    -16.14675679
  H     18.66355116      4.91059689    -13.53463804
  O     17.55346944      5.65110480    -10.98340590
  H     14.22820157      3.52610556    -16.30982357
  H     14.37048528      3.70902030    -14.20858476
  O     17.22725482      5.70427689    -17.26972688
  H     13.74360725      4.09162692     -8.39331870
  H     14.97276869      3.95938360    -12.77016969
  O     17.12813825      5.09406223    -14.58709934
  H     14.89229815      5.03200330     -8.83128594
  H     18.83596547      7.74046949    -14.42013742
  O     19.96971815      5.09666781    -17.02421570
  H     16.90324901      8.12050154    -12.76686724
  H     17.53223712      6.94910914    -14.32738778
  O     14.51596324      5.05127745    -17.05132079
  H     15.45503099      7.64237756    -12.45636940
  H     13.48850511      6.98913122    -12.23460789
  O     20.12405403      2.22628016    -12.97858363
  H     19.95134207      2.50296263    -14.87808868
  H     14.07744182      6.01899655    -13.29207386
  O     13.19784942      6.90027588    -10.46890670
  H     18.71914356      2.36627906    -15.77996804
  H     15.15696933      3.67307463    -10.52635746
  O     19.40649846      4.92986519    -12.91354544
  H     17.14267689      6.44415233    -11.35272913
  H     16.45191173      4.22401230    -11.16097032
  O     14.65094002      4.38337327    -13.57895738
  H     18.32302453      5.44646562    -11.53049424
  H     15.96855794      2.26087068    -15.51211199
  O     17.88731777      7.84553417    -14.25804492
  H     18.17882312      5.55971701    -17.33563948
  H     17.05536137      3.21765209    -14.99244649
  O     13.88254223      6.95281365    -13.11866648
  H     17.06272814      6.65913120    -17.20292121
  H     15.97400659      7.01472098     -8.69154235
  O     15.79077142      3.51884742    -11.23753540
  H     16.22734809      4.94684151    -14.26718145
  H     16.87485005      5.89623993     -9.23707898
  O     16.88684557      2.29282382    -15.21872143
  H     17.10329283      5.28699157    -15.53694961
  H     15.41844448      9.53139474     -9.33417269
  O     16.24727133      6.10267533     -8.53055445
  H     20.63279332      5.00148161    -17.70373183
  H     15.73757786      8.48718173    -10.42786278
  O     15.33519074      8.60630128     -9.55066467
  H     19.89231541      4.22949964    -16.58869239
  H     13.05326818      8.07816794    -16.02707151
  O     13.82502778      7.56354020    -15.80106774
  H     14.20600128      5.88168763    -16.67125574
  H     13.79466357      7.43001744    -14.83972528
          69
 Energy    -249.66996739467089     
  O     11.41572300     11.17674493    -11.58045494
  H     10.80131477     10.67596104    -12.13215706
  H     17.45543023      6.20512458    -15.17761540
  O     13.51464764      7.02311875    -14.62393736
  H     12.15589858     11.41386986    -12.15321115
  H     15.43508926     13.09507963    -15.92898225
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  H     14.25932204      7.63895918    -14.51913214
  H     15.93312729     11.66142721    -15.63614316
  O     12.08970869      9.39973668    -14.78547703
  H     13.74773804      6.45618655    -15.36831535
  H     15.50908493      9.15762798    -13.37467277
  O     16.62256828      7.18413610     -9.74217836
  H     17.69374193      7.64074021    -17.04542569
  H     16.11110615      9.23630888    -14.80280866
  O     13.34594538      6.42588455    -11.92659233
  H     18.44576796      8.32588426    -18.21071211
  H     11.61193803     10.21424452    -10.14121388
  O     15.45411483     10.09088433    -11.85238547
  H     11.24988991      9.35862164    -14.31236060
  H     11.30290325      9.96089278     -8.64484146
  O     14.94408054      8.11981759    -18.04452878
  H     12.47320577      8.51193460    -14.76239868
  H     16.76440874      6.04287980    -12.75652125
  O     15.81747989      5.16151821    -11.36607246
  H     15.78448262      7.66415936     -9.67774944
  H     16.63355911      7.29278856    -13.67757861
  O     17.21141199     10.43547063    -15.67200248
  H     17.23438354      7.77215883    -10.19973519
  H     11.04912766      8.10754435    -10.51699388
  O     14.59150332      5.73743802    -16.85667890
  H     13.34695359      6.58188349    -12.88206792
  H     11.60440099      7.01832594    -11.46259803
  O     17.35110566      6.19021135    -16.13727433
  H     14.10413555      5.85860437    -11.73971719
  H     20.01759986     10.72418894    -13.49199397
  O     15.15800374     12.24693231    -15.59166896
  H     14.96716657      9.57372931    -11.19464741
  H     18.84510730      9.88774782    -12.96071826
  O     15.61771921      8.66711313    -14.20109352
  H     14.81408286     10.66383251    -12.29678515
  H     17.15664375      9.36251155    -11.72355104
  O     11.69616254      9.56640327     -9.41811540
  H     14.44695744      8.89723495    -17.74956831
  H     17.84589134      8.06330730    -12.25242842
  O     17.25820383      6.63029541    -13.34137160
  H     15.87757750      8.35340598    -18.00977683
  H     12.93834759     10.01525399    -16.34873461
  O     10.81351724      7.53269202    -11.25594438
  H     16.14393794      5.81059557    -10.71659295
  H     14.05625535     11.02805384    -16.64216164
  O     19.14613169     10.41003036    -13.71955169
  H     16.03741421      4.29754725    -11.02757895
  H     13.82166857      7.74618688    -10.75552755
  O     17.98109031      8.85245321    -11.70734039
  H     17.47379799      9.83406312    -16.38134316
  H     13.33974914      8.82251781     -9.74306340
  O     13.56832773     10.29217956    -17.02696683
  H     17.93100222     10.46933208    -15.02358317
  H     14.08246448     11.80841499    -14.10937603
  O     14.12660090      8.41203473    -10.12172881
  H     14.66170324      6.58518972    -17.33628683
  H     13.08029666     10.65510689    -13.88741636
  O     13.56179981     11.36164228    -13.43081816
  H     14.29202974      5.08879255    -17.48757646
  H      8.92760865      9.18070496    -13.22239854
  O      9.86559382      9.29120162    -13.09392765
  H     16.44440158      5.90914378    -16.31285294
  H     10.14999928      8.59887148    -12.47034275
          69
 Energy    -249.66990137263241     
  O     -6.13644307      1.37244695      0.37876391
  H     -5.50898509      2.05093363      0.08732109
  H     -0.18766007      4.35343200      1.64205841
  O     -4.60795794      1.61754000     -3.08322364
  H     -6.64693223      1.12869630     -0.40174327
  H     -4.30507181      2.67628474     -1.54648654
  O     -5.83222052      1.54068126      3.15865106
  H     -4.18844600      0.76619282     -3.26537205
  H     -3.45978926      2.60889352     -0.24955748
  O     -0.32056348     -1.47228757      2.27279456
  H     -5.52575950      1.40411796     -2.87433110
  H      2.35629674      0.85617937     -1.67929511
  O     -1.96770058     -0.94347870      0.07557022
  H     -6.08352405      1.55221916      2.22482295
  H      1.40611412      0.78710013     -0.45875523
  O     -3.35718395     -0.92385090     -3.55939229
  H     -5.36854257      2.36936937      3.32695280
  H     -0.83693245      3.06947716     -1.97920138
  O     -4.63330770     -0.97375519      0.79451366
  H      0.05516073     -2.26475019      2.64602705
  H      0.43852698      2.51008053     -1.30761070
  O     -0.97236611     -0.26634438     -2.37370221
  H     -0.96442124     -1.13046582      2.92047411
  H     -4.73318278     -1.55109902     -2.37323330
  O      1.21829721      0.71209327      1.25297039
  H     -2.89420476     -1.02955785      0.34174717
  H     -5.19862447     -1.61510175     -0.89821860
  O     -2.16978578     -0.42771249      3.90159458
  H     -1.41015696     -1.23909385      0.80653637
  H     -2.13072484      2.14421479      2.25356909
  O      0.53805198      2.96794654      2.87650226
  H     -2.46423947     -0.77698654     -3.20778303
  H     -2.81617961      2.84610307      3.45986517
  O     -0.67631851      4.86351825      0.98760722
  H     -3.24619385     -1.25287089     -4.44878554
  H     -5.26963540     -0.05068533      3.51753819
  O     -4.22309276      3.04572445     -0.65909518
  H     -4.72881982     -1.14550474      1.73903360
  H     -5.53523184     -1.42520788      4.17779819
  O      1.43712463      0.88677086     -1.42811664
  H     -5.10022189     -0.14184449      0.62985346
  H     -1.37843607      2.26817329     -0.00982527
  O     -0.26934808      3.15540511     -1.19822828
  H     -1.32374947     -0.57204655     -1.52211516
  H     -1.97680254      0.86738483      0.34278836
  O     -5.51047839     -1.66106802     -1.81166003
  H     -0.08161276      0.05380890     -2.18705256
  H     -2.50313102      5.03233852      1.16602041
  O     -2.08329821      2.26915409      3.21539989
  H      0.74759330     -0.02669297      1.65666230
  H     -3.80273303      4.51331260      0.49542143
  O     -4.93467911     -0.96325889      3.59939634
  H      1.04096649      1.48858187      1.79804581
  H     -7.93684033      0.32836757     -2.54142069
  O     -2.05945196      1.81433136      0.50497127
  H     -3.10084565     -0.67758680      3.87274968
  H     -6.61185257     -0.31851001     -2.06568753
  O     -3.46630328      4.99497635      1.26062106
  H     -2.14559133      0.53043766      3.76949028
  H     -4.05312897      4.36384516      2.73771323
  O     -7.08995486      0.52637244     -2.15138311
  H     -0.37577344      2.74134035      3.11978817
  H     -4.55418149      4.61178703      4.18034444
  O     -4.31219113      3.92239041      3.56834650
  H      0.97234422      3.25156735      3.67750080
  H     -1.55036313      1.44251713     -3.04990814
  O     -1.82075118      2.33539836     -3.30329890
  H     -0.46982277      4.44449365      0.14064973
  H     -2.78060720      2.30514457     -3.37442975
          69
 Energy    -249.66981318631693     
  O      3.31501515      1.98450523     16.23970643
  H      4.16826332      1.79874417     15.85613959
  H     -0.66029186     -0.86359135     18.88310943
  O      1.41876100     -0.10749381     12.15362478
  H      2.64779985      1.65946656     15.61062930
  H      2.09069967      4.10199051     18.36583419
  O     -0.11164280      4.46336771     16.20997777
  H      1.00984984      0.63317514     11.68611029
  H      2.75483042      3.65754779     17.04742791
  O     -0.01846833      2.18411180     11.25390858
  H      0.72194234     -0.76622962     12.27002282
  H     -2.73418682      0.05900277     19.55512199
  O     -0.79839713     -1.76445367     12.92145293
  H     -0.37231309      3.61987009     16.61301329
  H     -2.23174004     -0.64276592     20.83839591
  O      1.82193928      0.96992647     18.37616552
  H      0.76666288      4.64779119     16.56967986
  H     -0.10137094     -1.30289845     16.48907968
  O      1.54845134      3.23035217     20.03937073
  H     -0.12053445      2.61130960     12.12099555
  H      0.38179139     -0.40308470     15.31222360
  O     -2.49525377      5.65577104     16.83075567
  H      0.06339282      2.88428488     10.61139829
  H     -2.90221257      1.47220786     14.77210734
  O     -3.98343686      0.33517827     18.40630170
  H     -0.98679487     -2.68943452     12.78220656
  H     -2.94045950      1.54558457     13.22420771
  O     -0.45667111      3.09230255     13.82823139
  H     -0.61388241     -1.65943571     13.86965696
  H     -2.91135683      4.72977899     18.46982529
  O     -2.27230084      0.49987192     11.89884716
  H      1.83161645      1.66992846     19.04206300
  H     -3.93494780      3.67674348     18.92783097
  O      0.02817350     -1.16527427     18.28041580
  H      2.45355440      1.22739695     17.69268206
  H     -6.29388822      2.96499208     18.13936416
  O      2.31849901      4.40357273     17.47775337
  H      0.59456853      3.08565268     20.16463239
  H     -5.07925975      3.10967913     17.19339920
  O     -1.96222292     -0.05138031     20.14020650
  H      1.89682757      3.49757916     20.88622543
  H      0.68580383      1.75947110     14.42560289
  O     -0.18435901     -1.15527716     15.53488091
  H     -2.47669175      6.60373102     16.72447156
  H      1.51067665      0.61922233     13.77604126
  O     -3.02710137      2.07953218     14.02670504
  H     -1.61388858      5.32976477     16.58500918
  H     -4.00191799      3.27580757     15.05405167
  O     -3.13049411      4.13693982     19.19826328
  H     -4.53126358      1.12707314     18.34649889
  H     -3.76631317      4.48166807     16.00328662
  O     -5.36120997      2.78142907     18.06663569
  H     -3.54686781      0.25331896     17.54686827
  H     -1.87534777      3.19697510     19.98004382
  O      1.32526706      1.06156813     14.61879798
  H     -1.37440440      2.79209069     13.91148655
  H     -1.42664893      1.72191537     20.30866926
  O     -4.40756454      3.80596665     15.75274173
  H     -0.29460139      3.72424968     14.53966458
  H      0.18339794      1.62228470     17.63269559
  O     -1.11735998      2.63099606     20.19856791
  H     -1.85548683     -0.30903626     12.22061003
  H     -0.95725417      2.34416591     18.36948080
  O     -0.64366529      2.09930372     17.48943497
  H     -1.56148891      1.02405919     11.51048684
  H     -1.77882453     -0.24034321     15.85707032
  O     -2.38849682      0.45374033     16.13371973
  H      0.76690119     -0.55333053     18.40761003
  H     -1.84380554      1.08086624     16.63428361
          69
 Energy    -249.66968743996972     
  O      0.18171655      3.23058195      2.70795490
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  H      1.39368986      1.42788306     -0.54260514
  O     -3.13840169      4.86493618      0.62967665
  H     -0.55509532      2.78136955      2.27018315
  H     -0.80660689      4.49215306     -2.38282414
  O      1.37499343      7.65507791      1.22373451
  H     -2.57633351      5.21713361     -0.07811027
  H     -0.27987211      3.03177764     -2.28770418
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  H     -2.97463499      5.41234634      1.40723641
  H     -1.14639036      8.57344641     -0.64385763
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  H      1.75148318      7.67720336      0.33060562
  H     -1.41309253      9.20915390     -2.03131479
  O      0.51893078      5.06895456      0.59671943
  H      2.04156749      7.39085863      1.86827210
  H     -2.35939086     -0.60596311     -3.05358113
  O     -2.38478385      6.51796113      2.79102909
  H     -0.66108959      5.51375275     -0.61569318
  H     -2.59575981      0.90880116     -2.83128803
  O     -0.35292759      1.62859378     -1.08962229
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  O      0.00775180      5.74062718      3.83738104
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  O     -1.90612945      2.37795561      1.13384506
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  H     -4.22357090      3.95251798     -0.48921424
  O     -1.22823096      8.52660971      1.08095463
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  H     -3.53809498      2.94173444     -2.66154189
  O     -0.39019192      3.77935166     -2.89304657
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  O     -1.00331296      8.46339970     -1.60262886
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  H      2.86496572      0.90516693      2.87845327
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  H     -0.91540410      0.97669262     -1.52616876
  H      2.45632079      1.52999544      1.52083214
  O      3.71586889      4.26422371      2.02628986
  H     -0.83552450      1.92935687     -0.30734241
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  O     -2.97239011      2.54674052     -3.33694593
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  H      3.45084349      6.76412354      3.93275908
  O      1.96593505      5.23992227     -3.15155377
  H     -2.30958861      3.24861463      1.01956314
  H     -4.26325871      1.62835110     -0.45725305
  O      2.79692546      6.47006952      3.30442911
  H     -0.29218967      8.33189264      1.24549449
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  H      1.85889613      6.87721259     -2.07924725
  O      1.76632814      7.64416541     -1.50324005
  H      2.59912418      2.38213398     -0.46190604
  H      0.88172297      7.99560571     -1.66671681
          69
 Energy    -249.66966871080820     
  O      0.90996221      1.72607167      0.98997037
  H      0.50265801      2.02550041      0.16982348
  H     -3.92777681      5.19000417      4.81921294
  O     -1.45592006     -0.45519930      3.43844387
  H      0.73498753      0.77658855      1.04313434
  H     -3.29699487      3.80755026     -0.16803637
  O     -4.07158661      0.48864307     -0.08437081
  H     -1.99291922      0.28229960      3.10762488
  H     -2.14349367      4.15934322      0.79444821
  O     -2.30879548     -2.76016600     -1.57292545
  H     -2.08481955     -1.16229030      3.62294396
  H     -5.16167263      3.40628259      3.31725837
  O     -0.05046955     -0.89851277      1.11821819
  H     -4.40046024      1.37096653     -0.29564727
  H     -5.90512897      2.05095258      2.99066606
  O     -4.64002193     -0.45138150      5.72678406
  H     -3.24557281      0.32592941     -0.55939319
  H     -2.16865299      3.02131036      2.49093330
  O     -6.22508985      0.40585821      3.50280747
  H     -2.06590438     -1.82353083     -1.50452072
  H     -0.90876672      3.82676156      2.88955100
  O     -1.55721523     -0.12167729     -1.06528297
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  H     -5.27659638      3.07572575      0.87383560
  O     -5.19612676     -1.41593513      1.58946526
  H     -0.48613836     -0.76165024      1.97189551
  H     -5.83888810      3.50206563     -0.50176646
  O     -2.55944727     -4.39183545      2.50560638
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  H     -4.16003267     -1.89405477      3.00579467
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  H     -4.12211762      0.37329792      5.76727200
  H     -3.95949888     -1.69783426      4.52988645
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  H     -4.96048596     -0.61433847      6.60990648
  H      0.88118350      2.66697935      2.44269067
  O     -2.35765437      4.02526646     -0.13790336
  H     -6.03542380     -0.26477190      2.83300372
  H      1.64264968      3.60041598      3.41220521
  O     -5.51752282      2.85604452      2.60984906
  H     -5.78775738      0.10891789      4.30968817
  H     -0.05159901      2.11825427      4.60881928
  O     -1.83688993      3.92143556      2.64072747
  H     -1.04711257     -0.39649811     -0.28686516
  H     -0.72255730      0.73577045      4.66921265
  O     -5.06826452      3.13599879     -0.07531935
  H     -1.20204415      0.73513773     -1.33236259
  H     -2.29670238      1.79626606      5.65913940
  O     -3.62950447     -2.18430729      3.76376731
  H     -4.86198903     -0.73770200      0.98631234
  H     -3.51681142      2.71857896      5.43659034
  O      0.78779376      3.21365819      3.24409409
  H     -5.05787682     -2.25843486      1.13271018
  H     -3.69385685     -3.38497541     -0.37935048
  O     -0.57289477      1.54382988      5.18007990
  H     -2.91176860     -3.66313355      3.04268221
  H     -3.73420733     -4.07545033      0.99596110
  O     -3.25524458      1.86212119      5.78706176
  H     -2.56153291     -5.16629397      3.06298105
  H     -1.17758350     -3.88129370      1.28648134
  O     -4.29431141     -3.68251412      0.31523434
  H     -0.14572423      2.95754561     -2.10975491
  H     -1.12405495     -3.43233147     -0.18518361
  O     -0.58203652     -3.54429332      0.60524470
  H     -1.19664729      3.05203691     -0.97823337
  H     -3.88558843      1.80173619      2.62579975
  O     -3.04207261      1.46723337      2.29920821
  H     -3.13988505      4.30957389      3.82153701
  H     -3.24245179      1.08305216      1.43655998
          69
 Energy    -249.66953402624614     
  O     11.98934601     11.01413049    -16.43081304
  H     11.53430991     10.41320923    -15.82298417
  H     19.51345528     10.16441611    -13.48650726
  O     15.57002707      7.84735410    -12.81908191
  H     12.25267683     11.78752905    -15.92073372
  H     16.72926949     10.81187677    -16.29442254
  O     15.32606165     11.94942558    -11.68763053
  H     15.20081284      8.43464688    -13.49872727
  H     17.47244838     10.72408657    -14.91098641
  O     15.66934160     13.36304266    -14.03217636
  H     16.07176268      8.42389442    -12.23065493
  H     15.30073152     10.13006982    -14.96885401
  O     13.86710308      7.69003468    -16.71771371
  H     14.49474798     11.57468979    -12.01605024
  H     14.28613345      9.02695334    -15.42879256
  O     11.97512150      9.82054002     -9.17907264
  H     15.59315262     12.57637398    -12.37365807
  H     11.16454748      8.24743940    -14.82020886
  O     13.02466795      6.96473483    -12.26397493
  H     16.09288507     12.68603452    -14.57861771
  H     10.79797032      9.25020070    -13.72624030
  O     13.06402963     11.02692825    -12.93415673
  H     14.76511696     13.43179107    -14.35898082
  H     16.45370278      8.35622861     -8.26002871
  O     17.59744236      7.38737066    -14.71451363
  H     13.64661752      8.36374790    -17.37596392
  H     15.25471233      8.25135749     -9.22969254
  O     13.68080609      7.54307961     -9.54681805
  H     14.77212676      7.40167824    -16.89799674
  H     11.67729569      5.80620785    -15.33805085
  O     16.56559933      7.16301295    -17.19717581
  H     11.46560491     10.09303960     -8.42061942
  H     12.74374608      6.89412830    -15.59281638
  O     18.63853565      9.84171684    -13.68867287
  H     12.78725987     10.35795237     -9.17835809
  H     16.48538562     10.59170306    -11.53273581
  O     16.74190284     11.14088003    -15.38257858
  H     12.68147801      6.69359543    -13.12379439
  H     16.86418082      9.44550550    -10.55403945
  O     14.57230310      9.56181007    -14.68136706
  H     13.95208325      7.20599027    -12.41278294
  H     15.01284097     10.39338873     -9.00085798
  O     10.83660751      9.14370166    -14.68411796
  H     12.41567770     10.45226795    -12.51184866
  H     14.71604782     11.56793144     -9.94937807
  O     16.06219848      8.75845701     -9.03088048
  H     13.52375213     10.49144757    -13.60000524
  H     15.39687922     10.04353729    -18.06596843
  O     12.11323541      6.55406300    -14.93604060
  H     16.90650922      7.31675175    -14.04256291
  H     16.48945803      9.01713662    -17.70747232
  O     17.04692714      9.80741167    -11.43030142
  H     18.10752778      8.16539825    -14.45994975
  H     11.40187075      9.41705954    -10.91107822
  O     14.37833200     11.09903868     -9.17498509
  H     13.42297845      7.17284360    -10.39973260
  H     11.89335227      8.38918689    -11.96094995
  O     16.32525103      9.96210664    -17.81395778
  H     13.02104932      8.21751315     -9.34138692
  H     12.20903303     13.80924747    -14.36673270
  O     11.33855638      9.17469299    -11.84352928
  H     16.97643874      7.21681972    -16.31554835
  H     12.82545756     12.45019896    -13.96741657
  O     12.81669697     13.13378719    -14.65976094
  H     17.04242945      6.49527872    -17.68243349
  H     13.09637634     10.09267523    -19.19334757
  O     13.49041687      9.90504153    -18.34608417
  H     18.14535305      9.83351858    -12.85095055
  H     12.94553279     10.36145555    -17.67753820
          69
 Energy    -249.66908083459231     
  O     13.93716965      3.18483798    -10.73201412
  H     13.98713340      2.22841591    -10.61149522
  H     16.67991640      5.39620537    -15.17823758
  O     12.02249144      3.69355954    -12.69169629
  H     13.27737885      3.33354219    -11.42609758
  H     15.94102176      9.99144882    -10.55472449
  O     16.44291319      3.39728196    -12.03169690
  H     11.46577802      4.34138605    -12.24607358
  H     14.80043655      9.21476719     -9.87660154
  O     19.18947329      6.49752855    -13.36952525
  H     12.56908809      4.19442689    -13.31771937
  H     14.62755934      7.46050242    -12.34027537
  O     11.87510041      7.34732760    -13.52462937
  H     16.92686935      4.17182533    -11.71791858
  H     14.35095246      6.31531118    -11.32284979
  O     12.81161710      1.08536116    -13.41935879
  H     15.59625242      3.38901028    -11.56506258
  H     13.56603589      4.83026516     -9.99173803
  O     14.14041208      0.38844357    -10.95154127
  H     20.02688815      6.05609012    -13.25755639
  H     12.44636759      5.86836740    -10.30533697
  O     18.23005881      9.16564913    -13.10149551
  H     18.62920402      6.23837024    -12.61643781
  H     14.15583827      1.07101186    -14.55309633
  O     17.82064698      9.97439597    -10.55212031
  H     12.36813771      6.68106432    -14.01981805
  H     14.82390476      0.47360362    -15.81308052
  O     13.68188232      5.25484384    -14.21706629
  H     12.50279215      8.06577928    -13.36067095
  H     11.21881767      6.53827339    -12.14025460
  O     16.05487308      8.82022074    -14.92145596
  H     13.12017438      0.75309675    -12.56754853
  H     10.04260023      6.24396779    -11.17799458
  O     17.02314793      6.29732882    -15.19873686
  H     12.37785487      1.92856246    -13.23444634
  H     16.58637423      6.16271519    -11.72038745
  O     14.98478188      9.85741328    -10.57156353
  H     14.96129104      0.38829504    -11.47659642
  H     17.56767515      6.35858637    -10.54054746
  O     14.88661503      6.56466775    -12.08592505
  H     14.15671415     -0.39753398    -10.41282575
  H     16.14131313      3.63835654    -13.83346392
  O     13.31466831      5.75965882     -9.89368051
  H     18.68191887      8.32139754    -13.22162148
  H     15.64979127      2.82017877    -15.04456180
  O     14.97463582      1.06479800    -15.08038253
  H     17.49707933      9.16248717    -13.72860343
  H     16.55914882      1.56623705    -12.34947133
  O     10.93838449      5.99102763    -11.38348599
  H     18.38754390     10.72037471    -10.37586152
  H     16.00042354      0.67347341    -13.47137565
  O     17.44989616      5.88584432    -11.37623643
  H     17.99199627      9.70468986    -11.47200193
  H     14.15110753      7.05342362     -8.96415317
  O     15.92101786      3.70573403    -14.77444290
  H     14.36431312      4.69944156    -14.61228664
  H     14.29308989      7.92031474     -7.69647639
  O     16.31559142      0.65313712    -12.55954455
  H     14.12991282      5.72477350    -13.49681755
  H     17.66109131      8.36506395     -9.57049583
  O     14.64694179      7.79048015     -8.57349703
  H     16.32030823      7.89215019    -15.05245441
  H     16.54026350      7.56545998     -8.88292650
  O     17.45789387      7.50666313     -9.17526970
  H     16.03066320      9.21867005    -15.78805539
  H     14.71089976      9.09724176    -13.66409403
  O     14.01948095      9.04692248    -12.99115183
  H     17.84001140      6.28942081    -14.68386368
  H     14.33389810      9.47706266    -12.18063253
          69
 Energy    -249.66893501803071     
  O     16.05312289      9.66894516    -14.50239880
  H     15.12015830      9.42896974    -14.47418650
  H     15.62816992      3.17844212    -16.96094270
  O     12.95827513      4.13680514    -15.70159607
  H     16.31938745      9.65815516    -15.43076835
  H     19.95515802      4.37572246    -16.02928630
  O     18.65450946      5.34278909    -12.66784237
  H     13.61123000      3.84053566    -16.36419916
  H     19.37697642      4.19536257    -17.45001264
  O     18.74131236      5.34634400    -18.72618895
  H     12.14513116      3.67706292    -15.89128547
  H     19.36509403      6.93694774    -16.01278091
  O     15.94539359      5.23478269    -19.42104978
  H     18.08675421      4.58573498    -12.87404339
  H     17.87317114      6.75046886    -16.33524195
  O     15.12362016      5.89916955     -9.59316278
  H     18.11755647      6.13893752    -12.80605034
  H     15.59647000      6.11061597    -15.90743612
  O     14.24312932      4.20355584    -13.17692967
  H     17.81856687      5.25391396    -18.99208695
  H     16.62535492      4.93195101    -15.75729684
  O     16.92702367      7.33819367    -13.36639557
  H     18.77280103      6.11906654    -18.14853806
  H     13.71009982      7.93382900    -13.28981714
  O     17.04217855      3.13707381    -15.84640422
  H     15.68890764      6.12416262    -19.12056851
  H     12.65358877      8.98567147    -13.70106212
  O     14.26409089      3.30548481    -10.49523363
  H     15.74357862      5.19380560    -20.35289543
  H     16.78421602      1.32122957    -10.04403524
  O     20.37837142      5.85190037    -14.79287962
  H     15.08171787      6.28881676     -8.72397966
  H     15.81406718      2.47046857    -10.41722550
  O     14.85338044      3.46476080    -17.46733484
  H     16.04063592      5.59490024     -9.71987863
  H     13.39971603      5.90904103    -16.01749415
  O     19.57935101      3.72203331    -16.62826052
  H     14.26997232      5.13368593    -12.91403698
  H     13.61575726      7.35364801    -15.45983922
  O     18.66211127      7.25647281    -16.58985046
  H     13.77267330      4.14625263    -14.01664875
  H     16.90743745      2.71885439    -12.26445804
  O     16.49238805      5.88020750    -15.63423495
  H     16.77899390      8.24765534    -13.66089752
  H     15.95308962      3.56670738    -13.14312287
  O     13.40134794      8.48973747    -14.02517336
  H     16.79114274      6.77734788    -14.14722939
  H     18.10711235      5.09838483    -10.81846185
  O     16.73986564      2.17188699    -10.47137149
  H     17.04675140      2.98217175    -14.89373520
  H     17.45194189      3.91515038    -10.08104799
  O     13.86091420      6.74406759    -16.16722027
  H     17.96269410      3.22870316    -16.13720366
  H     15.80761307      8.31571385    -18.07336697
  O     16.85595147      3.21997780    -13.08663416
  H     14.40891215      4.16446650    -10.07905945
  H     14.61221048      7.41245145    -17.70379284
  O     17.60109284      4.86811302    -10.03023515
  H     14.09302597      3.49561715    -11.42777680
  H     15.41923347      7.00381704    -12.51420523
  O     15.20219194      7.65636539    -18.43086808
  H     21.27660877      5.94603518    -14.48436903
  H     14.64008787      6.58528526    -11.23646280
  O     14.53283480      6.81134459    -12.16843910
  H     19.84064292      5.64438959    -14.01181901
  H     17.74464512      8.72126972    -16.97481821
  O     17.08942513      9.41560841    -17.16205621
  H     15.18933796      4.02448461    -18.17745630
  H     17.55454595     10.11496072    -17.61518606
          69
 Energy    -249.66893094146715     
  O     11.88798311     12.55966365    -13.22482290
  H     11.13078993     13.12572352    -13.10114722
  H     17.88281017     12.78184292    -12.00458058
  O     19.16005409      6.87299691    -12.59238825
  H     11.99561044     12.05047452    -12.40038770
  H     14.10134073     11.63647442    -18.14699762
  O     16.30487088      9.15922797    -11.31486665
  H     19.62578537      6.19538804    -12.10838369
  H     13.61103069     11.40405336    -16.69579460
  O     12.30638274     11.03218137    -15.62720209
  H     18.21208528      6.68652277    -12.48863538
  H     15.11848689     10.06088973    -14.19182517
  O     16.10260444      6.92797463    -15.28630152
  H     16.32880098      8.23582105    -11.59255737
  H     14.77536750     11.25070297    -13.23947011
  O     13.42819687      6.23735734    -14.85129683
  H     15.79503806      9.62101805    -12.00084758
  H     16.71377202     13.25627702    -15.59250555
  O     14.63379652     13.09899479    -13.17837338
  H     12.12678015     11.52070417    -14.81502629
  H     15.36910804     12.85193234    -16.26209231
  O     18.41284489     10.07821521    -15.19532407
  H     12.09095781     10.10772601    -15.45421294
  H     13.17427104      5.77046135    -11.26224444
  O     16.39215374      6.60452070    -12.53041787
  H     15.86762836      7.83807922    -15.52095145
  H     13.33380302      7.09669678    -12.03995551
  O     18.54532185     12.88589009    -15.26737059
  H     17.04890623      6.85156813    -15.47222338
  H     16.28565751     14.21063943    -10.69595949
  O     18.84553181      7.24189695    -15.44774895
  H     14.34697163      6.35435518    -15.12994827
  H     15.70186170     13.31570753    -11.81467796
  O     18.60259379     12.51946207    -12.59115702
  H     13.46787096      6.02583069    -13.91160570
  H     15.38615388     10.38133295    -10.15852251
  O     14.40194824     11.55497294    -17.24621670
  H     13.67151840     13.07562730    -13.23798078
  H     15.40437086     11.91337556    -10.15689573
  O     14.83212046     10.28980667    -13.29825518
  H     14.99962994     13.30314086    -14.05366052
  H     12.28524906     10.17301424    -11.35365013
  O     15.76680272     13.44233382    -15.61064944
  H     18.55205999     11.01820580    -15.36399453
  H     13.15737027     11.15176395    -10.54122357
  O     13.67918954      6.19141180    -11.95318329
  H     18.51531060      9.95634818    -14.24038850
  H     19.14260674      8.80403437    -12.43479545
  O     16.33208430     13.33489211    -11.07259631
  H     15.52446947      6.32084403    -12.21743956
  H     17.93007704      9.61120759    -11.95461317
  O     14.87343447     11.15388038     -9.88906630
  H     16.29589574      6.73965908    -13.48553749
  H     10.83665880      7.94684779    -15.39875297
  O     12.31346026     11.07459917    -11.01042574
  H     18.57672705     12.83164857    -14.29394485
  H     12.30112721      7.56173294    -15.09636614
  O     18.77365542      9.69445012    -12.42420044
  H     19.24904731     13.47221409    -15.53256384
  H     13.45634357      9.27967569    -12.74517343
  O     11.66119780      8.29528679    -15.06874320
  H     18.83504263      8.20494447    -15.52461971
  H     12.19483155      8.58345960    -13.29830337
  O     12.71389466      8.70746429    -12.49395582
  H     19.12271926      7.05679640    -14.54240732
  H     15.37533622     10.23207111    -16.41349893
  O     15.76579661      9.60002341    -15.79902497
  H     18.78958889     11.59013123    -12.40676600
  H     16.70141960      9.81995987    -15.67444320
          69
 Energy    -249.66852790715865     
  O     10.72835065     10.42193041    -10.45173697
  H     11.58322923     10.36182291     -9.99805280
  H     11.20891958     11.71488962    -17.32954295
  O     14.69909918     10.22602873    -12.87730815
  H     10.05830637     10.42914600     -9.77175738
  H     14.22292870     13.40376223    -13.94875802
  O     17.23327085     12.85849097    -13.94409226
  H     15.55879570     10.52778417    -12.55773311
  H     13.98866707     14.21567526    -15.24597935
  O     15.86294511      6.99017192    -12.47916897
  H     14.39508090      9.52951769    -12.28080126
  H     18.17091533     11.57224257    -17.06972290
  O     10.85683026     11.86613365    -12.88188376
  H     17.52676333     12.36236461    -14.71747431
  H     16.74610022     11.37000984    -16.50519565
  O     12.49491207     14.89573327    -16.14398335
  H     16.41695165     13.30012218    -14.21142514
  H     18.02214507      8.78210536    -14.18427313
  O     14.98122334     11.57276405    -16.58437561
  H     16.65073436      7.53590286    -12.36310568
  H     17.84072362      9.57786990    -15.50610865
  O     13.24577070     10.02058317     -9.26544537
  H     15.73997075      6.90406989    -13.43208301
  H     14.46326543     12.58499685    -10.85691362
  O     13.48491940     12.66856473    -12.49544064
  H     11.04833548     11.15142140    -13.50859665
  H     14.44056922     11.50302235     -9.77374758
  O     14.01972642      9.30962417    -15.32531256
  H     10.70890746     11.45158795    -12.02401232
  H     10.95089941     10.24551436    -15.52326635
  O     18.12067631      8.78822755    -12.29034431
  H     11.72718973     14.47182303    -15.71937181
  H     12.26613940      9.61543864    -15.00386658
  O     10.40478059     11.31817518    -16.94889941
  H     12.24783227     15.79968947    -16.31898106
  H     15.87175421      6.32307458    -15.93508047
  O     14.63839750     13.67505743    -14.78093579
  H     14.61901790     10.75432066    -16.21481102
  H     16.48478678      7.61914167    -15.34701370
  O     17.69191014     11.27672083    -16.29925698
  H     14.85003127     12.27607894    -15.93004156
  H     12.62572345     13.44490465    -17.40166507
  O     17.81720518      8.69260938    -15.12333316
  H     13.44552695      9.69171061     -8.39210262
  H     13.48860172     12.18276964    -17.57379345
  O     14.99945709     12.18840637    -10.15647971
  H     13.50648373      9.32148756     -9.89216049
  H     11.24602983      8.70235655    -13.23239719
  O     11.35984289      9.83992630    -14.74865839
  H     12.53269388     12.54312859    -12.58966426
  H     10.95674251      8.93501099    -11.73719579
  O     15.68501428      7.06070021    -15.36094247
  H     13.87874749     11.79241812    -12.63224313
  H     17.18906329     11.88386729    -12.46589285
  O     12.64590895     12.57938091    -17.82915592
  H     14.30402356      9.65419152    -14.46230003
  H     16.46351932     11.61563585    -11.09443169
  O     11.32486400      8.29660311    -12.35925853
  H     14.47795270      8.46940156    -15.44408514
  H     10.23801404     12.81189915    -15.74016279
  O     17.04683109     11.22967878    -11.76326163
  H     17.79951264      9.66874741    -12.03090726
  H     10.45580192     13.08537333    -14.24341317
  O     10.39607034     13.52054459    -15.10391553
  H     18.91986044      8.63195705    -11.79335152
  H     12.95504637      8.06064103    -11.64601111
  O     13.79746265      8.20164245    -11.18686295
  H      9.82383545     11.12020326    -17.67845794
  H     14.47995249      7.63700146    -11.57824618
          69
 Energy    -249.66842247789711     
  O     -4.90594724      3.68329638      2.92785528
  H     -5.68240195      3.77475446      3.47439409
  H      0.76040975      2.76367125      4.88379068
  O     -3.51062626     -1.97469953     -0.60554577
  H     -4.17755052      3.42532717      3.51783585
  H     -3.47701681      5.95180590     -1.93810975
  O     -0.19361150      4.94047697     -1.33894778
  H     -4.13849498     -2.62767241     -0.90266669
  H     -3.32979422      5.44594451     -0.48546449
  O     -3.09262038      2.48636996     -1.60854353
  H     -3.42299162     -1.32234866     -1.32355024
  H     -0.25412264     -1.02868468     -1.97311225
  O      0.11639258     -0.46192447      4.62873571
  H     -1.13861496      5.13166995     -1.37720863
  H      0.37117281     -0.88884062     -3.38172144
  O      1.66651347      3.76103680      2.36628723
  H     -0.10171726      4.00354700     -1.55404400
  H     -2.20840162      2.84369166      3.39193777
  O     -1.61744145      3.03933028      1.69947031
  H     -3.14340413      3.44816742     -1.66667375
  H     -2.72866178      1.86327657      4.47595226
  O     -2.70505915      0.08402135      4.52533629
  H     -3.53100139      2.24358682     -0.77888914
  H     -1.29407289      4.79143199      1.98931786
  O     -3.03232504     -0.15963353     -2.57478668
  H      0.55115554      0.40674726      4.67900178
  H     -0.36181751      6.00027305      1.74564436
  O     -3.06387459     -0.51793705      1.75199796
  H      0.54838820     -1.02030949      5.27025312
  H     -4.50648021      2.42069220      1.56080962
  O     -0.28209333     -0.70696684      1.85270217
  H      1.01061763      3.93365437      3.05396940
  H     -3.78924904      1.05417985      1.25733015
  O      1.31321400      1.99640994      4.68127634
  H      1.66250417      4.54364454      1.79967073
  H     -1.27072703      2.24109414     -1.61154090
  O     -3.04229765      5.29287751     -1.40261525
  H     -0.86368081      2.50327310      1.42805428
  H     -0.14630961      1.30444835     -2.11297417
  O     -0.17159685     -0.43608439     -2.74214162
  H     -2.40771542      2.68504024      1.27480481
  H     -1.14306746      3.80805016      4.67965180
  O     -2.66010134      2.80257314      4.24990353
  H     -2.96854275     -0.23344262      3.65203056
  H     -0.56930301      5.01221344      3.93468849
  O     -1.13694367      5.71655871      2.24431315
  H     -1.78125110     -0.17334019      4.63797262
  H     -4.20587815      5.09616938      1.77200606
  O     -4.04293277      1.91207697      0.88521816
  H     -2.09777911     -0.25611125     -2.79535241
  H     -2.89738168      5.90383222      1.63573475
  O     -0.30856253      2.14189636     -1.66050458
  H     -3.16098080      0.77639781     -2.37281964
  H      1.14698974      2.38173664      1.29610289
  O     -0.32037733      4.29749133      4.53553943
  H     -2.09588311     -0.54799854      1.77646692
  H      0.45827452      1.87500208     -0.03628505
  O     -3.73700638      5.70979398      1.19591030
  H     -3.33010670     -1.08685535      1.01837578
  H     -1.58371691     -2.17864447     -0.57668339
  O      0.66292724      1.65338249      0.88309881
  H     -0.08053092     -0.74241480      2.79489010
  H     -0.40164758     -1.68539620      0.27962589
  O     -0.63077984     -2.02873212     -0.59459436
  H      0.12266843      0.10414505      1.50832712
  H      1.76324473      6.71373831      0.38000654
  O      1.22139681      5.99579553      0.69492778
  H      1.85271023      2.28414012      3.93896694
  H      0.75434064      5.63248555     -0.07988745
          69
 Energy    -249.66813660518341     
  O     10.94327047     11.52275670    -15.25021055
  H     11.00172740     12.29599729    -14.67639126
  H     18.02193806      8.33595631    -15.29091708
  O     13.85746521      6.34372497    -12.28744849
  H     11.50713362     11.69240092    -16.01444816
  H     15.92616507      8.48829138    -10.64767887
  O     16.84235302     10.73891856    -13.62938745
  H     13.74867068      5.42179605    -12.06292643
  H     15.33798342      7.29149001    -11.42969854
  O     12.65534528     12.02267859    -17.52375144
  H     14.22101465      6.36436684    -13.18778264
  H     17.33513986     10.23326831    -16.46730543
  O     14.11007432     11.03276322    -13.50954142
  H     16.99089874      9.78520654    -13.57682671
  H     15.84064604     10.50482346    -16.72841996
  O     14.91551194     14.21840471    -11.47546941
  H     16.82520994     10.95562326    -14.57172474
  H     11.50216198     13.52994260    -12.61646278
  O     11.68453249      8.20659751    -11.78894988
  H     13.45346136     12.50295835    -17.23797894
  H     10.55112413     14.44305015    -13.42637374
  O     13.96910523     13.78734633    -14.08243626
  H     12.33765670     12.46512365    -18.30691980
  H     15.20398259      9.98953850     -8.73287289
  O     15.92430937      7.32848405    -17.31156065
  H     13.97342414     11.95126463    -13.76896206
  H     14.47051031     10.16514950    -10.08386774
  O     13.02358561     10.46234712    -11.03580164
  H     15.06674750     10.89424311    -13.47587252
  H      9.67410261      8.70432450    -14.66156636
  O     14.86814012      6.76617742    -14.82266499
  H     15.52725583     13.47058048    -11.35079424
  H     10.59281061      9.94727457    -14.61188810
  O     18.28872078      8.58569871    -16.19131815
  H     15.32796675     14.97839333    -11.07400995
  H     15.66510837     12.58235408    -16.55362272
  O     16.16250817      7.74346315    -11.21286427
  H     12.36453899      7.55890900    -12.01204993
  H     14.70669302     13.49671179    -15.73988301
  O     16.65519605     10.91493574    -16.40111684
  H     11.22258953      8.42580700    -12.60722264
  H     17.00546897      7.86453119    -12.78238543
  O     11.21857941     13.76827462    -13.51786934
  H     14.36312445     14.03180605    -13.23429767
  H     16.39808020      7.54025107    -14.15580930
  O     15.34032642     10.00826630     -9.67685542
  H     13.01545054     13.91704929    -13.99630005
  H     16.81341644     11.67262785    -12.02120783
  O     10.49600422      9.02768439    -14.30251593
  H     16.79108991      7.69413854    -17.09846822
  H     16.24849159     11.38642626    -10.61153138
  O     14.92770378     13.19878210    -16.63373512
  H     15.36784779      8.08685128    -17.53255014
  H     13.72695620     10.42837730    -17.59914982
  O     17.15785878      7.96569635    -13.73416751
  H     12.47510814      9.67759042    -11.17781217
  H     13.87909210      9.35423155    -16.51851164
  O     16.55462616     12.09465941    -11.19106379
  H     13.40835331     10.68452676    -11.89719965
  H     13.15178391     13.55876722    -11.09500182
  O     14.29347728      9.69875243    -17.32402046
  H     14.23126963      7.49937439    -14.82971129
  H     12.41332153     12.21341571    -10.93949650
  O     12.27409688     13.15650186    -11.10093637
  H     15.22497711      6.72797209    -15.72076628
  H     12.23708171      8.81112904    -14.80173216
  O     13.18852587      8.88866995    -14.93568332
  H     19.21314090      8.36411436    -16.27246446
  H     13.48205821      9.65858655    -14.42590807
          69
 Ord_Energy   -249.667725    
 O   -7.81420660       3.62905002       5.31155825    
 H   -8.39109898       2.99848080       4.86478662    
 H   -7.08595848       3.10317540       5.66773319    
 O   -2.56913257       5.71605062       2.08060694    
 H   -3.10004735       5.76517534       2.88666058    
 H   -3.18483496       5.42666531       1.39547086    
 O   -4.28543139       5.18755102       4.32057714    
 H   -5.13583231       5.63914299       4.37484884    
 H   -4.49015427       4.33355761       3.91138554    
 O    1.09315145       2.13132262       3.80543971    
 H    1.89394772       2.28825307       3.31092620    
 H   0.403987437       2.68441772       3.40137696    
 O   -3.86615419       1.92595041     -0.592694163    
 H   -3.69906998       1.64172089      -1.48675561    
 H   -4.55692673       1.33884454     -0.231750563    
 O   -7.38863468       2.27010083       1.83796418    
 H   -8.07652187       2.02167201       2.46695900    
 H   -7.49400997       3.21205640       1.63472009    
 O   -2.70135593     -0.328609526       3.79685211    
 H   -2.65983224      0.327290952       3.08434629    
 H   -1.78730166     -0.488910079       4.07496786    
 O   -6.99523592       5.95297527       4.16855764    
 H   -7.50630903       6.68044662       4.51376057    
 H   -7.33015728       5.14639139       4.60073090    
 O   -2.70531893       1.66973555       1.94340336    
 H   -2.07679176       2.36219168       2.19173574    
 H   -2.92272139       1.75766969       1.00769544    
 O   -5.72047758      0.409054965      0.639890194    
 H   -5.52463865     -0.205200464       1.35629511    
 H   -6.42206812      0.992979407      0.962587237    
 O  -0.127028584     -0.325418472       4.72123528    
 H  -0.185286507     -0.166994646       5.67154074    
 H   0.343751043      0.434945971       4.35792017    
 O   -2.17768478       3.77086902       5.51328850    
 H   -2.90943360       4.36459923       5.30201197    
 H   -2.55015373       2.91215277       5.75724554    
 O   0.349845231       2.94025016       6.46493053    
 H  -0.461463362       3.42073441       6.25014448    
 H   0.758585572       2.72654009       5.61691856    
 O   -1.05690134       3.63008785       2.98062468    
 H   -1.41861343       4.41685104       2.54744744    
 H   -1.40350461       3.64800453       3.88565326    
 O   -7.12469816     -0.170481607       4.59323311    
 H   -6.49772215     -0.610858560       4.00855303    
 H   -6.60376930      0.450809598       5.12109900    
 O   -3.01115608       1.16445422       6.17156935    
 H   -2.26718044      0.904918134       6.72860289    
 H   -2.95528889      0.629166961       5.36743116    
 O   -5.61655569       1.91249871       5.70098925    
 H   -4.77869415       1.63435471       6.09221601    
 H   -5.39843655       2.20905757       4.80572891    
 O  -0.562147856      0.570092678       7.42574310    
 H  -0.224275425      0.342744112       8.28735828    
 H  -0.174602181       1.43146884       7.18696404    
 O   -4.61278105       4.38667297      0.636798441    
 H   -4.38329983       3.66436195       3.91231701E-02
 H   -4.74029207       3.96521783       1.49608755    
 O   -5.11032772      -1.29976010       2.89167476    
 H   -4.25301266      -1.03334105       3.26276660    
 H   -5.06766558      -2.24606276       2.77030468    
 O   -7.27976227       4.97850037       1.46688163    
 H   -6.42646646       5.03015232       1.01862085    
 H   -7.16956949       5.40181589       2.32766414    
 O   -9.12462425       1.50006044       3.89140153    
 H   -8.48357868      0.815047264       4.15720367    
 H   -9.99236584       1.11308920       3.96502090    
 O   -4.97241163       2.78588629       3.09446740    
 H   -5.81049824       2.53320837       2.67980027    
 H   -4.24813986       2.28134394       2.70050764    
          69
 Energy    -249.66743111555209     
  O     -9.29454329      1.21346180      6.49132098
  H     -9.54879669      2.01296938      6.96672773
  H     -4.56089977      1.32786804      0.75205969
  O     -5.22985086      1.98986886      5.54480580
  H     -8.71142462      1.50398117      5.77220871
  H    -10.45827907      0.56923101      5.30334764
  O     -6.52686793     -1.86617912      4.76461961
  H     -6.11637184      1.85945312      5.17474097
  H    -10.27474062     -0.23397910      4.00461254
  O     -7.25090639      3.61838431      8.26624360
  H     -5.28265074      1.74390935      6.47752450
  H    -12.75053077      4.74843650      6.09825793
  O    -13.24140759      1.58652917      5.47303809
  H     -6.32881099     -2.77895456      4.95655073
  H    -11.66937880      5.20655745      5.10245941
  O     -7.72217167      1.73699845      4.28969835
  H     -6.76541481     -1.44802929      5.61225910
  H    -14.32600120      3.83884319      2.91137945
  O     -5.70892199      1.40385626      8.27163358
  H     -6.82176070      4.12072320      7.55703252
  H    -13.29434020      4.21075103      4.00603142
  O     -9.97882617      3.72996940      7.43835556
  H     -8.19994049      3.71873809      8.13356789
  H     -8.43931388      0.90875212      0.65743093
  O    -12.78319802      3.39634783      7.46927561
  H    -12.55384837      0.98953734      5.15053303
  H     -6.97543373      0.48106591      0.87898954
  O     -7.45360913      5.52731975      3.72347235
  H    -13.49002958      2.13399601      4.71871673
  H     -8.37547684     -0.57679462      2.36748262
  O    -10.92729209      2.62874407      2.97079376
  H     -7.56437429      2.34176787      3.55719701
  H     -7.93991578     -1.25500044      3.71473793
  O     -5.32847550      1.34856918      1.31708727
  H     -7.99142580      0.89091196      3.90525903
  H    -10.15559864      3.90154758      4.15770649
  O    -10.91793982      0.29672044      4.49338596
  H     -5.12133449      1.44794263      9.02071662
  H     -9.09185086      4.99925642      4.44301856
  O    -12.62331469      5.21393572      5.26170855
  H     -6.30481617      2.17285585      8.34010652
  H     -7.86210835      3.19465402      1.50985470
  O    -13.54318752      3.52760999      3.35659103
  H     -9.88797271      4.08588236      6.54216482
  H     -6.39053571      2.77505346      1.79219299
  O     -7.87581254      0.13989016      0.80585537
  H    -10.92649588      3.65091389      7.60253497
  H     -8.07361609     -0.11025714      6.95931886
  O     -8.63195830     -0.73391321      3.28842220
  H    -13.40778542      3.26920760      8.17842907
  H     -6.66556233     -0.04657786      7.55527124
  O     -9.91080514      4.60816982      4.76936977
  H    -12.94716434      2.68836950      6.82140933
  H     -5.27873566     -0.66770499      3.95156017
  O     -7.09064250      3.38527241      2.06102318
  H     -7.19456353      6.35579393      3.32678662
  H     -4.70946131      0.71915165      4.30412290
  O     -7.25728109     -0.61949845      7.05197165
  H     -7.24556267      4.82899232      3.08076987
  H     -9.91706852      2.89331683     -0.02365673
  O     -4.73882056      0.05185068      3.60387711
  H    -10.89750883      1.80525620      3.47872620
  H     -9.98491838      2.59346316      1.49352146
  O     -9.39852900      2.59049237      0.71719730
  H    -11.84225124      2.93932952      2.98740654
  H     -5.55571386      3.86549707      5.79598034
  O     -5.95387759      4.70585148      6.05869564
  H     -5.09177362      0.85987360      2.12636025
  H     -6.43727395      5.02519987      5.28965351
          69
 Energy    -249.66711358596106     
  O      2.54302862     -1.34134342      4.34035251
  H      2.71374617     -0.46181064      3.98369638
  H      0.66768716     -1.58638715     -0.49203920
  O      3.01146153      1.32624002      3.46665425
  H      1.91360991     -1.78825672      3.75675604
  H     -2.75558064      0.65379678      1.37707755
  O     -2.19250772     -2.70615284      7.86423914
  H      3.89635851      1.68356244      3.48365983
  H     -3.62239899      1.88624109      1.06441403
  O     -0.40492897      0.93674290      9.17329154
  H      2.44173931      1.96755865      3.91944847
  H     -1.32610858      1.24600922      4.20455142
  O      2.28560478     -4.39956399      7.22444749
  H     -1.27192799     -2.73338792      8.16356971
  H     -1.67583026      1.89556442      2.83592402
  O      0.54717511     -2.68345015      2.94855697
  H     -2.47842448     -1.79195632      7.96731136
  H     -1.57739869     -1.30234444      0.79919378
  O      0.57849082     -4.50691624      5.12914647
  H      0.16499416      0.35471160      9.68936674
  H     -2.42828240     -1.51133467      2.06456068
  O      3.83140561     -2.02302126      6.73915134
  H      0.17688632      1.35882697      8.52724524
  H      1.07237498      4.00507374      4.58796522
  O      3.32259507      0.05296404      8.52495406
  H      1.70907057     -4.47132050      6.44164098
  H      0.35184631      2.68274047      4.23700630
  O      1.54478584     -0.84052171     10.32839918
  H      2.63338361     -5.27160508      7.38925267
  H      0.19193326      1.06379423      2.23403224
  O     -2.07219775     -2.13983458      3.78123143
  H     -0.33983405     -2.45915568      3.26570376
  H      1.71829792      0.93677780      2.11276365
  O      0.29356071     -1.57044131      0.38418291
  H      0.54893342     -2.46842070      2.00820998
  H      1.29328687     -1.11141137      5.63890799
  O     -2.85674545      1.60469717      1.55649467
  H      0.68412906     -4.00435405      4.31219340
  H      0.59335662     -1.48398710      6.99201815
  O     -0.98959369      1.83831117      3.51727975
  H     -0.36568227     -4.49138808      5.32871498
  H     -2.26140966     -3.69186199      6.45550068
  O     -2.42383582     -1.07552556      1.20129851
  H      3.42194594     -2.87090135      6.94705057
  H     -2.85213878     -4.94035638      5.75652418
  O      1.15695156      3.05628984      4.63837766
  H      3.54237029     -1.81822376      5.84002576
  H      1.33119998      2.21492179      6.35914167
  O      0.89350503      0.73191544      1.65949309
  H      3.57173593     -0.64800617      7.90362497
  H      1.12890974      0.75242944      6.81498004
  O      0.59787228     -0.85718244      6.25822444
  H      2.83965437      0.71968869      8.02175279
  H     -1.93689558      0.41355246      8.51871634
  O     -2.22695089     -4.22965248      5.64344226
  H      2.25034380     -0.51183828      9.73987971
  H     -3.47832269      0.50560995      8.58547187
  O      1.40631421      1.63161522      7.12010132
  H      1.90762149     -0.86495297     11.20893624
  H      1.16149190     -3.28371130      8.16501022
  O     -2.76137645      0.10341185      8.10276501
  H     -2.23277656     -2.90046001      4.35331345
  H      0.89488361     -2.10450490      9.16603218
  O      0.51529120     -2.62247681      8.44448794
  H     -2.09343294     -1.35634219      4.34820322
  H     -0.94876582     -0.30040293      5.71190398
  O     -1.81583728      0.05637466      5.45659484
  H      0.53448384     -0.71203956      0.77998463
  H     -2.30427793      0.16412674      6.28015707
          69
 Energy    -249.66610628031520     
  O      9.77666634     11.52295588    -10.71352278
  H      9.77960877     11.67601131    -11.66675606
  H     16.54819881     10.66585191    -11.76071980
  O     13.07276526      8.27158139    -16.79886581
  H     10.23900630     12.26642837    -10.30861456
  H     15.50199909      6.82973246    -12.27253295
  O     11.45078068      9.34533104    -10.62395122
  H     12.12160357      8.32706388    -16.59279538
  H     14.69848160      8.02920297    -12.82444983
  O     13.96333325      8.84143345    -14.20606197
  H     13.16687640      7.63696755    -17.50345317
  H     12.52303956     14.42534547    -10.51365457
  O     13.42820765     12.12493029     -8.23762150
  H     10.73015592      9.98435478    -10.52875338
  H     12.97986432     14.08675118    -11.93310997
  O     13.05484392     11.15840956    -16.80108716
  H     12.25102059      9.88517505    -10.72116021
  H     14.06143584      7.71877237    -10.37323706
  O     11.26532510      8.87031390    -13.33511998
  H     14.24037567      9.76629511    -14.28183131
  H     12.67130648      8.18629910     -9.89343709
  O     14.09613888      9.47570293     -7.49320149
  H     13.75619768      8.53630224    -15.09888889
  H     16.48194732     12.78072045    -12.18576355
  O     13.62165144     11.05255855    -10.83597693
  H     14.27062992     12.59211097     -8.15203783
  H     17.69473605     12.51128485    -13.10833921
  O     15.83057177     13.78962755    -10.96044418
  H     13.56257747     11.22935751     -7.89941700
  H     10.14590041     11.61642165    -14.51499557
  O     12.70776221     12.56593060    -12.95587261
  H     13.69475182     11.39042390    -16.11561675
  H     10.54375199     10.55958902    -13.46768015
  O     16.24409403     10.06136894    -11.07126637
  H     13.15889102     10.21033145    -16.94614247
  H     16.57914761     13.62367293     -7.53545911
  O     15.13209055      7.67519231    -12.02962921
  H     12.19644969      8.87586535    -13.59263879
  H     16.34908450     12.24210159     -8.20020050
  O     13.19424227     14.64202225    -11.16990554
  H     11.24705967      8.87218001    -12.36850985
  H     13.95642905     11.96129157    -14.02327059
  O     13.52058159      7.83644363     -9.58520389
  H     13.90885175      8.86790283     -8.23017129
  H     15.48769468     11.74774991    -14.05922840
  O     16.85254525     12.15572161    -12.83776958
  H     13.89717070      8.99781512     -6.69215345
  H     10.00535039     12.05897211    -17.07103461
  O     10.23936611     11.47411677    -13.56503604
  H     14.52280051     10.71623820    -10.90879759
  H     11.33649436     11.47341287    -16.54615833
  O     16.03533151     13.16453544     -8.16951247
  H     13.56800110     11.52218807     -9.99442909
  H     16.59699425     10.32090606     -9.29701391
  O     14.66724292     11.50604855    -14.50304677
  H     15.97481864     13.64041300    -10.02003271
  H     15.84387412     10.08255448     -7.97297859
  O     10.37746338     11.51403537    -16.38279688
  H     14.94424714     14.17185608    -11.03837982
  H     10.82093453     14.03128779     -8.60188204
  O     16.60670619     10.53557442     -8.35311126
  H     12.99944925     12.04896122    -12.18829938
  H     11.98731167     13.04339106     -8.81259655
  O     11.29250408     13.54206896     -9.27280599
  H     11.81443871     12.27444408    -13.17735297
  H     10.29101515      9.58124747    -16.21350576
  O     10.50439102      8.65832607    -16.02779122
  H     16.01026332      9.21293383    -11.46811115
  H     10.58976198      8.59764975    -15.06571631
          69
 Energy    -249.66544913602519     
  O     14.24084340      9.35878535    -10.66201776
  H     14.36882188     10.06314398    -11.30780945
  H     18.13554473      4.78745118    -11.86110114
  O     13.11151333     10.48698335    -16.32893669
  H     15.00005644      9.29854809    -10.06164507
  H     12.06231404      7.14434114    -10.77951923
  O     17.00725151     10.45406911    -13.85479089
  H     13.19378887     11.33246070    -15.86984477
  H     12.92874036      8.25233599    -10.15875624
  O     13.51614976      4.58941228    -12.65120604
  H     12.87113860      9.83997027    -15.65368105
  H     18.63875177      7.53868052    -13.67921703
  O     16.17920536      8.52171519     -8.91353275
  H     17.50705725      9.93681731    -13.20995499
  H     18.21726302      7.50679746    -15.16089631
  O     16.31132985     12.31248023    -15.86914527
  H     16.10691666     10.54458005    -13.51030845
  H     14.73918267     12.77413054    -15.23529579
  O     15.56515588      7.39359223    -12.16258449
  H     14.06260006      4.63689621    -11.85402664
  H     13.61756330     13.77104631    -14.85097055
  O     14.35457053     10.77187670    -13.03212803
  H     14.13035361      4.40658140    -13.36993824
  H     12.34575574      8.09148631    -13.59631098
  O     18.08926028      8.50384234    -12.19390103
  H     15.62781915      7.79458466     -8.59748717
  H     13.56821278      8.08913532    -14.52744363
  O     18.15834205      4.47538885    -13.78920581
  H     17.03372323      8.13685679     -9.13930644
  H     15.28063687     10.33062091    -18.64902003
  O     15.54190060      4.30805626    -14.70237263
  H     16.14402823     11.69986877    -16.59600594
  H     14.58105604     10.29106728    -17.27000236
  O     18.05604839      4.97289649    -10.91985075
  H     16.74008707     11.79027354    -15.17717259
  H     10.82180048      6.22978689    -12.74453800
  O     12.39224586      7.47496834     -9.93733482
  H     15.00529938      8.04424000    -11.71779755
  H     12.32203690      5.88035930    -12.64271907
  O     18.69335095      7.00786164    -14.48627360
  H     15.26860889      7.29175504    -13.07470971
  H     13.91999455      6.17238337     -7.45948847
  O     13.84185267     12.84496249    -14.86221734
  H     13.81052516     10.05186561    -13.38488332
  H     13.53322932      6.75676054     -8.83866582
  O     12.87883750      8.66410396    -14.15961490
  H     14.11262837     11.56749941    -13.52096125
  H     15.43068836      5.93729638    -11.13113612
  O     15.44812755     10.26349388    -17.71294106
  H     18.48318902      8.27136646    -11.34621239
  H     14.97392801      5.45060020     -9.73132362
  O     11.68206048      6.61195664    -12.58764492
  H     17.20829409      8.09591676    -12.18441787
  H     18.51801852      6.46875848    -10.12152728
  O     14.27612819      6.40943091     -8.31118015
  H     18.38194546      5.38191476    -14.07136068
  H     19.44851278      7.21902794     -9.14038398
  O     15.31254909      5.14461990    -10.58173328
  H     18.91231263      3.92968627    -13.99888786
  H     15.66537017      7.53734675    -15.32273885
  O     18.70002094      7.33664881     -9.71901145
  H     15.51644754      3.61957816    -15.36295890
  H     15.13847249      6.10964245    -14.94613528
  O     14.95179081      7.05321332    -14.88404910
  H     16.44357816      4.31571793    -14.34312096
  H     16.49908536      9.11530930    -16.69465922
  O     16.92536974      8.64889298    -15.96528991
  H     17.11455084      4.87415021    -10.71571365
  H     16.98985285      9.28876785    -15.23937949
          69
 Energy    -249.66538050165730     
  O     12.37272614     10.24403035    -15.47182982
  H     13.06877936     10.87844729    -15.67850521
  H     14.20875662      5.14396611    -14.62844589
  O     16.17518894      6.82510159    -12.82040648
  H     12.62394418      9.41075070    -15.89306828
  H     19.10174041      7.85562331    -15.51087595
  O     17.79844928     10.83670510    -12.29474097
  H     17.04723314      7.11580806    -12.52689260
  H     20.56837260      7.60770335    -15.09880816
  O     16.77076797     10.40800083    -16.27268335
  H     15.90272964      7.48044808    -13.48387696
  H     15.37491127     11.51719738    -16.09639591
  O     12.36064045      5.64521784    -14.68042125
  H     17.83106696     11.09682665    -11.36637726
  H     14.62391955     12.85115061    -16.30629727
  O     15.04130041     10.69912919     -9.10558767
  H     16.89733391     11.01082773    -12.60283254
  H     15.17448817      9.56831585    -14.01427483
  O     14.19272576      7.64544198    -11.06599539
  H     16.36794284      9.73440881    -15.70299551
  H     14.56905509      8.51239928    -15.01462089
  O     15.21366478     11.21841570    -13.17986183
  H     17.59306674     10.67570803    -15.83293693
  H     11.57377893     10.06443338    -13.94161413
  O     15.60610768      6.23742608    -17.14716822
  H     12.15046620      6.16291901    -13.88206934
  H     10.28908599     10.28415991    -13.10735062
  O     15.48140357      7.90920679     -8.60015173
  H     11.65730885      5.01120518    -14.78967536
  H     18.29349407      8.19325277    -10.37203957
  O     17.93297367      7.85725885    -16.83308550
  H     15.08546792      9.77959978     -8.81314390
  H     18.03312190      9.39202547     -9.43729344
  O     15.16266404      5.05550657    -14.74800884
  H     14.38801551     10.72062768     -9.81576891
  H     12.61994357      7.26813635    -11.94623924
  O     19.74547070      7.97967959    -14.79170749
  H     14.88450052      7.30707476    -11.65216502
  H     11.54737943      8.08950494    -12.70285870
  O     14.58742249     12.02410943    -15.83271515
  H     14.55603548      7.63678416    -10.17203063
  H     19.44669988      9.91821235    -14.80403026
  O     15.35887901      8.76709048    -14.52190386
  H     14.49617399     11.04187019    -12.55507356
  H     18.73246524     10.94328244    -13.90654727
  O     11.17120886      9.92478377    -13.06577637
  H     14.87225673     11.68065325    -13.95350242
  H     18.26422934      9.06604853    -12.27318932
  O     17.98807406      8.42881205     -9.48635982
  H     15.51734870      5.76141170    -16.30131970
  H     19.04333378      7.98684273    -13.05553460
  O     11.86734401      7.19302071    -12.54894699
  H     15.62603735      5.57570629    -17.83406020
  H     17.95637668     11.96894050     -8.93546882
  O     19.06039003     10.80208195    -14.80556425
  H     15.50922680      7.39817013     -7.79609183
  H     16.70864297     11.16229902     -9.36946615
  O     18.55539406      8.14223135    -12.23731279
  H     16.40274781      8.01416784     -8.90021464
  H     12.53502735     10.25832516    -11.85086664
  O     17.66167866     11.28419502     -9.52950640
  H     17.16516390      7.28387020    -16.94478544
  H     13.67821644      9.37685814    -11.28426551
  O     13.37233505     10.29294943    -11.37227432
  H     17.60225339      8.75985570    -16.91483799
  H     14.10539962      7.33526120    -16.71944241
  O     13.37631101      7.75019476    -16.24067953
  H     15.57553438      5.51319933    -14.00308018
  H     12.93589036      7.03820192    -15.75611998
          69
 Energy    -249.66473903921951     
  O     17.81042815      8.14303501    -14.01357521
  H     17.90524011      8.10585081    -14.97327662
  H     19.51645657     10.96125275    -13.58573647
  O     17.24904880     10.87183854    -10.70575019
  H     17.22259068      7.42138759    -13.74861826
  H     13.60507856     13.01274054    -14.13849302
  O     15.27448396     13.89454714    -14.12912403
  H     16.33011476     10.76335459    -10.99676855
  H     12.72966895     12.18681767    -15.10920055
  O     15.36833836      6.97031438    -16.00748142
  H     17.34806864     10.30601549     -9.93029328
  H     16.23396449     10.65755829    -14.90693026
  O     15.79231070      6.91687956     -9.59320632
  H     15.28116257     14.83638000    -13.97483308
  H     16.42678438      9.39237192    -14.06735055
  O     15.97937124      6.23845954    -13.27295524
  H     16.00216504     13.52691408    -13.59927017
  H     11.86405439      9.28478429    -12.83450375
  O     14.75040156     10.49576809    -11.74353831
  H     15.47650130      6.55170426    -15.14477673
  H     12.41825107      8.56338877    -14.07507138
  O     15.38100021     12.68483183    -16.70368368
  H     14.62134352      7.57933880    -15.92645941
  H     19.44040750      8.24081581    -11.12952831
  O     17.66916594      5.40363925    -11.17417630
  H     15.11306127      7.15002204    -10.24065041
  H     18.73765584      7.99008253     -9.78950531
  O     17.56696760     11.04910055    -16.25513677
  H     16.36065210      6.27513165    -10.03547249
  H     17.36916204     12.34321486    -11.94823943
  O     17.61528713      8.24925808    -16.81049671
  H     15.30968010      6.72858949    -12.77220848
  H     18.12818796     12.58526118    -13.26819209
  O     19.50167582     11.65162207    -14.27055939
  H     16.53327457      5.79258605    -12.61910895
  H     18.74827999      9.11911103    -12.92595108
  O     12.76278814     12.54728468    -14.21542755
  H     15.06499308     10.48765516    -12.66118932
  H     18.54704551     10.14088903    -11.76365572
  O     15.80154607     10.10751917    -14.24439920
  H     13.81917791     10.74812731    -11.75920125
  H     16.78413987      8.21070183     -8.96885142
  O     11.99996107      8.40898036    -13.21702760
  H     15.38993456     13.18690588    -15.87874710
  H     17.42651747      8.91565277     -7.75110861
  O     19.22529964      7.54676132    -10.49562369
  H     16.20397617     12.17782573    -16.71691890
  H     12.49969603     11.72589721    -17.64022303
  O     17.39189186     12.90340224    -12.73358554
  H     18.28576558      6.13279743    -10.98424892
  H     13.84890791     11.88633364    -16.89880031
  O     19.21387537      9.73921702    -12.34038326
  H     18.12269800      4.59616700    -10.94672557
  H     13.36052563      7.77923442    -12.20464745
  O     17.43722088      8.88370464     -8.70395566
  H     18.30139938     11.23988940    -15.65757933
  H     14.49265680      8.66021563    -11.66124744
  O     12.97535224     11.45614182    -16.85938135
  H     17.63788506     10.12615987    -16.53097411
  H     12.22099044     11.63052184    -12.87118093
  O     14.21460951      7.73930599    -11.75128254
  H     18.02616743      7.77737034    -17.52983629
  H     11.34424014     11.51000080    -11.60005063
  O     12.02708382     11.06936551    -12.09798144
  H     16.77746319      7.78919416    -16.61658597
  H     14.30189664      9.40930259    -15.01822608
  O     13.54801767      9.04825193    -15.50792277
  H     20.38577699     12.00655723    -14.32198219
  H     13.24219815      9.76756463    -16.07316262
          69
 Energy    -249.66472142847147     
  O     14.73032529      8.24749866     -9.84793460
  H     15.68997959      8.11372975     -9.81022806
  H     11.69158007      4.61556598    -15.31227555
  O     15.61153978      5.29327555    -12.30944091
  H     14.32999173      7.37497453     -9.92920011
  H     17.19604340      5.49546401    -17.27557438
  O     17.32825923     12.56668735    -13.47578166
  H     14.97900240      5.36326175    -11.58284724
  H     16.42656201      6.57665199    -16.48360504
  O     18.23538640     11.02990755    -15.78997635
  H     16.50699181      5.33631790    -11.95006685
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  H     15.17432359     11.15212534    -15.46840919
  O     17.47358027      8.03548011    -10.11741278
  H     16.37288040     12.55211120    -13.62330433
  H     15.59499079      6.91862472    -13.14288694
  O     11.98702008      6.61897994    -12.46143513
  H     19.09237431     11.06859823    -16.20668662
  H     15.23484548      8.43100616    -13.00422943
  O     14.59694754     11.88086959    -13.87756808
  H     18.24792586     10.26395530    -15.19083826
  H     18.53080207      5.87456691    -12.57098026
  O     12.67922164     10.65086229    -16.85583463
  H     12.39035548      8.80908557    -14.35329606
  H     18.98293579      5.16581732    -11.27258315
  O     14.80787806      4.56028501    -14.86453335
  H     11.91473763     10.14664023    -13.74709590
  H     12.94523067      6.03454703    -11.14430898
  O     15.39749478      8.01953486    -16.25851268
  H     17.67517503      8.86050528    -10.57512952
  H     13.05339749      5.18448835     -9.85385982
  O     12.22491518      5.34641205    -15.01135706
  H     17.82262206      7.31856477    -10.65891549
  H     18.06061700      9.52344871    -13.12483551
  O     16.94591458      5.75985668    -16.39323053
  H     11.92740423      7.55319773    -12.69379957
  H     17.26998290      8.49549152    -13.92382194
  O     15.48976247     10.79601178    -16.31197736
  H     12.01468941      6.13684491    -13.29719638
  H     18.23257238      6.05088984    -14.97645219
  O     15.63115874      7.77373015    -13.58820141
  H     14.61075988     11.21798254    -13.17349384
  H     18.78204489      7.27259024    -14.20785349
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  H     13.66650113     12.06275387    -14.05719951
  H     12.37085824      7.05068622    -15.74226610
  O     13.56229246      5.71549235    -10.46033591
  H     13.63829015     10.75843333    -16.89580918
  H     13.58081448      7.90561694    -16.17517362
  O     18.09868622      8.99667705    -13.93454454
  H     12.52273310      9.70771943    -16.71389903
  H     16.41349580     10.28119580    -11.66297032
  O     18.80964712      6.30673851    -14.24721241
  H     15.10268834      4.67902939    -13.95010047
  H     17.45722263     11.29325305    -12.16635127
  O     12.63610154      7.95044907    -15.96976984
  H     15.54192228      4.84456433    -15.41940261
  H     12.06589347     11.50510068    -15.45447136
  O     17.36124146     10.45554680    -11.68805937
  H     15.41353764      7.88308001    -15.29539297
  H     11.15356507     12.50731653    -14.70217531
  O     11.84883636     11.86777208    -14.57617714
  H     15.48350565      8.97206032    -16.39588414
  H     14.48750817      9.30391702    -11.17374718
  O     14.47981276      9.78135701    -12.02034507
  H     13.14704457      5.03249859    -14.99061478
  H     13.63646281      9.59440348    -12.45913419
          69
 Energy    -249.66421523330095     
  O     12.29705599     10.80808909    -15.18038781
  H     12.12895194      9.88623320    -15.41651405
  H     13.74817890      5.59487979    -13.01243154
  O     14.94283157      6.70081373    -12.16475203
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  H     17.51943665      5.93852393    -15.59469794
  O     18.08744702      9.80680228    -13.22113906
  H     14.68113667      7.34720973    -11.49467441
  H     18.81371105      5.15816250    -15.27123482
  O     16.12514691      8.96858402    -16.55781648
  H     15.90709054      6.73372098    -12.23599638
  H     13.70130763      8.34941471    -14.63430828
  O     10.79561445      6.90835453    -13.22311956
  H     18.69572782     10.10073551    -12.53414338
  H     14.71599694      7.81045957    -13.58521943
  O     16.81100880     11.21183401     -9.74767352
  H     18.55978404      9.53625065    -14.02315097
  H     12.03788195     11.22190793    -13.49418127
  O     14.23897328      8.71636116    -10.38057333
  H     15.75152041      9.83162345    -16.76111825
  H     11.19160830     12.06521303    -12.51545459
  O     15.68000918     10.90608593    -13.77133183
  H     15.66960725      8.68644438    -15.74849074
  H     18.85579584      8.75878427    -10.23103155
  O     13.37617315      5.58207005    -16.23029150
  H     11.08148917      7.56160291    -12.55866739
  H     18.21421491      7.48798013    -10.82234489
  O     16.29472677      8.68476584     -8.48114725
  H      9.89911223      6.66931710    -13.00506746
  H     12.47011861      8.66465311    -10.99182713
  O     16.14359775      6.17133361    -16.64805600
  H     16.00606542     11.41632834    -10.23941225
  H     11.66190186      9.68045331    -11.82757110
  O     13.06147752      5.20249033    -13.56984160
  H     16.59652085     10.44897142     -9.19601568
  H     17.96166405      8.89354146    -16.04103638
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  H     14.85317361      8.63553890     -9.64047423
  H     18.83019367      7.76542500    -15.47122179
  O     14.59390064      8.46118322    -14.28663998
  H     14.35132572      9.61086529    -10.73237919
  H     17.90825135      6.61554059    -13.34994675
  O     11.88402895     11.41015917    -12.55152421
  H     15.18261812     10.08152228    -13.89810468
  H     17.71045710      8.04841991    -12.79098165
  O     18.42034697      7.93210875     -9.98907953
  H     16.58974099     10.63302288    -13.58133899
  H     18.39473745     10.88373889    -10.44090433
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  H     13.00628565      4.84292099    -16.70660393
  H     19.91866030     11.15342264    -10.44660702
  O     18.81045498      8.71975356    -15.61063554
  H     13.30697536      5.36746548    -15.28183069
  H     13.54855509     11.49663582    -11.62696896
  O     17.63836809      7.10963341    -12.56558886
  H     17.05522684      8.33646430     -8.98065796
  H     14.95594086     11.28346023    -12.19879906
  O     19.24772069     10.57425820    -10.79714928
  H     16.39127945      8.38034705     -7.58312045
  H     15.21638654     11.47078685    -15.40189979
  O     14.46361330     11.34022902    -11.36550378
  H     15.21788505      5.93702419    -16.51313155
  H     15.10464546     12.42593992    -16.61222564
  O     14.85872824     11.55753909    -16.30304884
  H     16.14899723      7.11423134    -16.86107192
  H     11.54622693      7.65144007    -14.74624988
  O     12.08702072      8.00284627    -15.46763984
  H     12.24623181      5.67379565    -13.35768239
  H     12.47378655      7.23879964    -15.91451258
          69
 Energy    -249.66402500292290     
  O     10.61494025      6.91593672    -14.02404198
  H     11.14532015      6.28996024    -14.53248840
  H     15.07705349      6.06376839     -8.97279463
  O     11.92419720      4.71944145     -8.58780784
  H     11.13296045      7.72743373    -13.97881274
  H     16.60948319      6.69431047    -13.08748977
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  H     11.81902099      4.40248338     -7.69404547
  H     16.66656554      5.19684475    -13.56672851
  O     17.59636294      3.62925318    -13.47462840
  H     12.86552963      4.92926470     -8.70084437
  H     14.73885102      5.74913375    -12.37521206
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  H     13.43698553      4.92548308    -12.25085708
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  H      9.76941644      6.25967848    -12.64903214
  O     10.66133046      7.06822374     -9.66989391
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  H      8.39569413      5.85827173    -12.06780368
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  H     17.94736065      3.80316199    -12.58154587
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  H     12.01922777      7.80790771    -10.56371064
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  H     18.20451841      7.46679394    -11.13361549
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  H     10.11158695      6.70549191    -10.37720447
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  O      9.32993652      5.86272698    -11.87661999
  H     14.94657900      6.76408929    -14.61149370
  H     14.98873431     10.10247904    -11.51243451
  O     16.20547127      9.37157320    -14.68068506
  H     13.62875522      6.53699777    -15.36414319
  H     11.31770585      3.94189160    -10.25318457
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  H     15.42916911      2.55938266    -11.43892126
  H     10.38571746      4.37870194    -11.39784654
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  H     18.41337886      5.12819738    -10.68166949
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  H     14.33010693      5.37372615    -10.14494643
  H     13.58768811      3.01084350    -12.94824373
          69
 Energy    -249.66246230475463     
  O     -3.47666113     -3.93845127     -1.01995948
  H     -4.34409721     -3.53318120     -0.85838123
  H     -5.91895972     -4.07152724      2.38038637
  O     -4.78097950     -1.72155684     -4.05458472
  H     -3.14564289     -4.23160969     -0.15953352
  H     -5.95842796     -1.83431623     -0.61610313
  O     -2.59350325     -1.62492366     -2.15968946
  H     -4.03217069     -1.60688629     -3.45908202
  H     -5.95915629     -2.85092379      0.55887466
  O     -4.96270050     -5.76414852     -2.43461448
  H     -5.36892168     -0.96949520     -3.90736949
  H     -4.44383191     -0.11915033      0.00103040
  O     -8.84022816     -0.26639485      0.06721805
  H     -1.69659462     -1.66586634     -2.48312714
  H     -3.14484416     -0.73276595     -0.54605302
  O     -7.01170121     -5.93087585     -5.71500032
  H     -2.80066245     -2.50433247     -1.79820307
  H     -5.77933428     -3.18929061     -4.09234115
  O     -8.91876981     -0.94047422     -2.74609660
  H     -4.27277327     -5.25801608     -1.98819546
  H     -6.47730078     -4.47917892     -4.72122731
  O     -6.71401449     -6.41597731     -0.34311583
  H     -5.49354599     -5.11848432     -2.92850570
  H     -3.73131285     -5.11350877      1.80553780
  O     -8.99905358     -3.71321583     -3.23024827
  H     -9.47315448      0.34654426      0.43216314
  H     -3.05425171     -3.73380675      1.97298049
  O     -8.73329945     -2.50811289      1.58622279
  H     -8.83877157     -1.04480765      0.65105742
  H     -4.87429777     -8.46178827     -4.24487541
  O     -8.00952949     -7.76662556     -2.57563330
  H     -6.50978499     -6.66079711     -5.33155203
  H     -5.24066129     -7.15937053     -3.49551082
  O     -6.08229350     -3.11868371      2.37090849
  H     -7.91541096     -6.04390943     -5.39389369
  H     -5.65397230     -6.58759254      2.68281605
  O     -5.90637596     -2.77482120     -0.40464251
  H     -9.07874783     -1.87578639     -2.92743434
  H     -5.91765494     -6.12301723      1.23587992
  O     -3.56316693     -0.41889191      0.26447015
  H     -9.02112392     -0.80865253     -1.79624967
  H     -8.68310241     -4.06595527     -1.48081155
  O     -6.36029851     -3.94435256     -3.92255678
  H     -7.36853811     -5.70155864     -0.38623341
  H     -7.45119183     -3.66555432     -0.63585918
  O     -2.94111308     -4.60817708      1.57765731
  H     -6.06629882     -6.23395967     -1.03931960
  H     -7.49318840     -0.13290060     -3.30056128
  O     -5.59100810     -7.85526556     -4.07859969
  H     -9.36304518     -4.51470577     -3.62349410
  H     -6.85227401      1.07246446     -4.03135717
  O     -5.49741024     -5.86933587      2.07421812
  H     -8.05382294     -3.71717148     -3.45575584
  H     -7.05306313      0.01704872     -0.37344981
  O     -8.27711982     -4.17467255     -0.61151963
  H     -7.89631076     -2.65559936      2.04509215
  H     -6.22796499      0.21519651     -1.66924774
  O     -6.65086613      0.32773968     -3.47142222
  H     -8.76911003     -3.18258533      0.89283576
  H    -10.29433400     -6.77057203     -4.55663619
  O     -6.15456587      0.00335291     -0.72933320
  H     -7.69161163     -7.45650436     -1.72062779
  H     -9.05277026     -6.81982057     -3.63761635
  O     -9.52477881     -6.27395943     -4.29115770
  H     -7.21768295     -7.95999900     -3.09479021
  H     -3.51917462     -1.39656553      1.70906724
  O     -3.53671528     -1.95482738      2.50691874
  H     -5.24220833     -2.67956627      2.55984408
  H     -3.07889248     -1.46944714      3.18816221
          69
 Energy    -249.66225961121057     
  O     14.76670876     11.20975020    -16.87713972
  H     14.20956730     11.90355874    -17.21838274
  H     18.85643551      5.10213872    -13.00436760
  O     15.70620263      4.81693622    -12.77291311
  H     14.28924599     10.80486298    -16.12933496
  H     20.03932526     10.15280317    -17.70880525
  O     17.14066073     12.60280292    -10.76551699
  H     16.62408577      4.71834401    -12.49033546
  H     18.96087719      9.05654081    -17.53370656
  O     19.52389759      8.36734006    -14.70891310
  H     15.46451388      5.72757175    -12.55258707
  H     17.71782835      8.10606670    -14.88546777
  O     13.57565099      7.12181017    -16.03442679
  H     16.38439350     12.20428064    -10.31848988
  H     16.44818531      8.38846004    -15.75050738
  O     17.34395907      9.38264670     -9.12987519
  H     17.09508967     12.28414353    -11.67904075
  H     13.50332216      8.91201069    -15.05486270
  O     15.49305615      7.63457283    -12.51910244
  H     19.55753287      8.87698750    -13.88718303
  H     13.78913443      9.97855073    -13.95800916
  O     17.06952432     11.15867107    -13.15348424
  H     19.62891359      8.96666918    -15.45781029
  H     16.97167420      7.50183252    -11.52110920
  O     19.41820671      5.58699262    -14.57572354
  H     12.75854846      6.66625302    -16.22301204
  H     18.15568646      6.53014803    -11.31591638
  O     17.94478778      5.03484714    -16.99840775
  H     14.22297229      6.43908771    -15.79645742
  H     20.00540840     11.79176396     -9.54203253
  O     15.73203323      5.46968674    -15.41803128
  H     18.09897325      9.96517687     -9.27799352
  H     18.62122856     11.82981128    -10.23390783
  O     18.51047065      4.87895690    -12.12160534
  H     17.50994638      8.59726605     -9.66739283
  H     19.42767858     10.13405723    -11.50627091
  O     19.37729831      9.82611916    -17.10533360
  H     15.92618999      7.77120753    -13.37562660
  H     18.77145094      8.76705467    -11.82770639
  O     16.76462823      7.96666238    -14.94399720
  H     15.05732394      8.47131470    -12.31627057
  H     14.60882353     10.97664006     -8.80699824
  O     13.53655049      9.85870216    -14.88326488
  H     17.78319566     10.57149465    -12.87522013
  H     15.86927308     10.30395426     -9.39677444
  O     17.83297534      7.40936131    -11.08644077
  H     17.19645073     11.33720810    -14.09620636
  H     18.11040334      6.78779193    -17.80814418
  O     19.36478704     11.24831216     -9.99194287
  H     19.58958274      6.53767573    -14.63171587
  H     17.14582766      7.96873107    -18.05325982
  O     19.19313682      9.54116332    -12.23043683
  H     19.02149920      5.33758158    -15.41718943
  H     14.60606191     10.48759618    -11.37263878
  O     15.12115291     10.89140502     -9.60649693
  H     17.10340381      5.05739385    -16.51310395
  H     15.45122095     10.57156838    -12.66361850
  O     18.07002835      7.69219648    -18.13816062
  H     17.94906188      4.22382576    -17.50143326
  H     18.03668839     10.97333766    -16.35182522
  O     14.61066242     10.24257026    -12.30537457
  H     16.18392423      6.31669951    -15.27018338
  H     16.55566189     11.45045364    -16.29071186
  O     17.40615664     11.48936651    -15.83678178
  H     15.66492973      5.05575044    -14.54468892
  H     14.78337827      8.09104801    -17.12694663
  O     15.53409748      8.60201641    -17.45517239
  H     19.06038460      4.17837996    -11.78121156
  H     15.27352386      9.53178436    -17.41859354
          69
 Energy    -249.66181703751369     
  O     16.24788084     11.56052343    -17.16029594
  H     16.00728386     10.76132422    -17.62219428
  H     19.33133587     12.36407565    -17.23032901
  O     20.32658813     17.00599772    -14.56213766
  H     17.19529473     11.48800158    -16.95052810
  H     13.03755887     16.44924023    -12.52417149
  O     20.55923554     11.64582013    -14.41678008
  H     20.39280968     17.75211218    -13.95304917
  H     14.10916178     15.33811934    -12.65025167
  O     16.50680387     16.99532970    -12.80253664
  H     19.39638203     16.92689207    -14.81971512
  H     20.93354310     15.69858934    -13.45050472
  O     15.89654885     16.49350991    -17.38722052
  H     20.11536366     12.00454075    -13.63830121
  H     20.54277287     14.40050190    -12.68318873
  O     14.85569991     13.83769710    -12.17284971
  H     21.36059898     12.17221010    -14.52790115
  H     17.07130401     15.58644609    -11.73771530
  O     14.03548591     15.17255971    -15.64958763
  H     15.55586910     16.85138894    -12.88189735
  H     17.80077538     15.31727120    -10.40947659
  O     22.71313375     13.52361980    -14.63949025
  H     16.89503887     16.87903074    -13.68023318
  H     14.74337262     13.62886782    -15.16853744
  O     18.11226175     18.56505655    -11.17727568
  H     15.65861768     17.05367540    -18.12091509
  H     15.42736951     12.29467002    -15.58566749
  O     19.12660649     13.31946114    -12.55939033
  H     16.23247535     15.66052682    -17.76614512
  H     20.98648763     15.86919244    -15.92698085
  O     16.90005362     14.15795838    -18.31685420
  H     15.69964635     13.98835291    -11.72954798
  H     21.81328376     14.56603192    -15.95889153
  O     18.91105806     11.77254514    -16.59250225
  H     15.03133694     13.32914181    -12.97542198
  H     21.35942116     16.11385469    -11.37302774
  O     13.82755145     16.20477490    -12.99829184
  H     13.90074728     15.66363854    -14.82935980
  H     21.08628711     17.61994495    -11.27414710
  O     21.27667848     15.00543487    -12.86739690
  H     14.59361254     15.71513911    -16.21881515
  H     20.67513080     19.87635448    -12.50788869
  O     17.32666630     14.87950063    -11.12719249
  H     23.64193822     13.44470208    -14.43833610
  H     19.56993714     18.88795989    -12.06596173
  O     15.24393351     12.86690028    -14.83174629
  H     22.31589866     14.05801952    -13.92913231
  H     19.74590710     16.54231813     -9.79481028
  O     21.24053496     15.12982983    -16.49298657
  H     17.47051510     18.12115481    -11.75031337
  H     19.03634698     16.47098308     -8.42301554
  O     21.20088583     16.82569014    -10.73844787
  H     18.27968865     17.95307922    -10.45088912
  H     18.24948873     13.18260029    -15.53740877
  O     20.42618585     18.95623980    -12.52637753
  H     18.54748709     13.74254211    -11.91240068
  H     16.90736037     13.50958566    -14.82823010
  O     18.87738418     16.45534219     -9.36297397
  H     18.69237350     13.47533834    -13.41240038
  H     20.24282223     13.81370330    -19.12551679
  O     17.82661361     13.79717645    -14.92702711
  H     17.86210298     14.08514136    -18.35395876
  H     20.26559897     14.34321331    -17.67418630
  O     19.74720859     13.81881804    -18.31073009
  H     16.57355614     13.30957639    -17.99643418
  H     17.12083119     16.65273632    -16.00798891
  O     17.70205849     16.50103333    -15.25361404
  H     19.53527948     11.60325910    -15.87025611
  H     17.78619246     15.53846231    -15.16097735
          69
 Energy    -249.66127347178403     
  O     -3.03918566      0.21079829      2.35700200
  H     -3.52615260      1.04758669      2.33325370
  H      0.19032216      0.04110405      1.98854525
  O     -0.03288239      3.32538062      1.50107044
  H     -3.02103870     -0.10267461      1.44325383
  H      3.24737174     -1.06435362      0.49735247
  O      1.47364386     -0.14632383      4.59788231
  H     -0.77989200      3.93281434      1.56688098
  H      3.41283737     -0.68628514      2.01501459
  O      0.29466383     -3.69880510     -0.52687877
  H     -0.01921012      3.01865928      0.58288776
  H     -1.44623709      0.91772304      2.99372950
  O     -3.05204720     -0.71948168     -0.36811837
  H      1.23209372     -1.08052333      4.52836067
  H     -0.38063905      2.00506876      2.67312766
  O     -4.37185137      1.64905887     -0.93569115
  H      0.71067586      0.36285513      4.29403417
  H     -3.01322298     -4.20815618      0.49973775
  O     -4.22624573      2.61330728      1.79339288
  H     -0.63366846     -3.66598238     -0.27039088
  H     -2.20475775     -3.09291210      1.20290131
  O     -2.46292454      3.77870651     -1.21644776
  H      0.81228946     -3.79778676      0.28197066
  H     -2.21457713     -1.43841890      2.75653237
  O      0.04015489      2.50345696     -1.19460665
  H     -2.18346318     -0.49260303     -0.73611111
  H     -0.84086971     -1.75167940      2.13123293
  O      1.14729438     -2.02174241     -2.47128137
  H     -3.03463414     -1.67329498     -0.23363098
  H      3.01359183      2.04398520      2.04925353
  O     -0.50421813     -0.18676638     -1.18267850
  H     -3.97856454      0.77463125     -0.78512067
  H      1.85383709      2.98574645      1.60963983
  O      0.38545649     -0.64564716      1.33609099
  H     -5.15985277      1.50638396     -1.45507758
  H      2.49095610     -2.99489928      1.64742720
  O      3.10064386     -1.36760958      1.40767184
  H     -4.39946675      2.37875457      0.87303615
  H      2.67593532     -4.51710304      1.84102030
  O     -0.54048899      1.19757723      3.18124554
  H     -3.65299266      3.38849225      1.76115155
  H      1.15255211     -3.24146424      3.40777296
  O     -2.46823254     -3.44272292      0.33354513
  H     -3.09764117      3.05225695     -1.23974959
  H     -0.22494613     -2.70739987      3.80510550
  O     -1.60256241     -2.16292845      2.57141635
  H     -1.58943937      3.38771438     -1.35717453
  H      2.86718704      0.40784941      3.79062358
  O      2.73736523      2.67573468      1.37489894
  H      0.98971947      2.54059617     -1.36188606
  H      4.34603649      0.86613724      3.82119793
  O      2.01286921     -3.83469278      1.76540287
  H     -0.20279238      1.56781878     -1.24989714
  H      2.56150620     -0.98934841     -1.69719507
  O      0.68116814     -2.80097418      4.12461635
  H      0.87567064     -2.67366552     -1.79913124
  H      3.06701098      0.42610386     -1.30403534
  O      3.61448371      0.69674881      3.23395309
  H      1.20426732     -2.48772083     -3.30076243
  H     -2.63827484      5.73455275      1.32167092
  O      3.21205729     -0.51751121     -1.16366924
  H     -0.16120136     -0.35043114     -0.28796696
  H     -2.46077358      4.53477036      0.35805035
  O     -2.41865649      4.80721312      1.29332723
  H     -0.00671610     -0.76064815     -1.77668117
  H      2.87983566      2.45282532     -0.32846227
  O      2.84732643      2.31712539     -1.29395028
  H      1.31965695     -0.87247066      1.40788625
  H      3.50621612      2.89230352     -1.67398559
          69
 Energy    -249.66099628849599     
  O     12.37801737     11.56453044    -15.65363854
  H     12.84635103     12.18243644    -15.08038137
  H     19.35725065      8.76478819    -12.70243896
  O     15.45706175      6.66913655    -13.66799803
  H     11.78034069     11.05367816    -15.09423462
  H     15.54863833     11.63655807    -16.45597254
  O     16.51976230     10.01708498    -10.78465618
  H     14.55672490      6.63067330    -13.31889553
  H     16.81751532     11.89295186    -15.62151476
  O     17.88350658     10.59213903    -14.70777617
  H     16.04787211      6.78893965    -12.91164415
  H     15.05268903      9.57951788    -15.18901555
  O     13.91629596      7.42837454    -17.27139691
  H     16.14352644      9.77732217     -9.92805393
  H     15.44203351      8.43202638    -14.18339331
  O     12.62696024      8.42237804     -9.31164368
  H     15.82363254     10.46128355    -11.28979102
  H     11.12843870      9.00033750    -14.59339721
  O     12.91779478      6.83886274    -12.62255742
  H     18.29605399     10.72440836    -13.84589342
  H      9.79752316      9.72705833    -14.28026019
  O     14.56125999     11.07893908    -12.41955352
  H     17.02870271     10.16274590    -14.53777744
  H     16.21873281      6.56614574    -10.06106374
  O     12.96135004      5.81647117    -10.00390790
  H     14.79749804      7.14043297    -16.97271681
  H     14.82812117      6.08982448     -9.56240785
  O     18.75857630      8.20770843    -15.80206401
  H     13.72112759      6.93253901    -18.06237084
  H     12.60954015      7.48346371    -15.86266518
  O     16.32888504      6.69476156    -16.27669815
  H     13.46940406      8.76410175     -8.99028575
  H     12.26944473      7.13833974    -14.38477701
  O     19.34220648      7.83815183    -12.97242923
  H     12.43705796      8.88902770    -10.13774856
  H     18.09225695     10.41946286    -11.55216178
  O     16.03680755     12.32762625    -15.98637613
  H     12.88869854      6.33091941    -11.80272077
  H     19.47397549     11.10974392    -11.54259735
  O     15.44552009      9.38544862    -14.32660680
  H     12.76578936      7.76146597    -12.37164031
  H     16.83795044      8.22764424    -11.31662559
  O     10.74206091      9.78575868    -14.16325146
  H     14.42817378     11.92068906    -12.87111306
  H     17.92657460      7.34625939    -11.98090951
  O     15.67091994      6.45721668     -9.27082497
  H     14.84580693     10.44961097    -13.10393189
  H     15.52495623      9.12891088     -7.52967703
  O     11.94233970      7.58773361    -15.17503928
  H     12.39451321      5.22552772     -9.51538597
  H     15.48099014      8.07444832     -8.66263753
  O     18.89667119     10.56948897    -12.07630867
  H     12.76888875      6.71877196     -9.68811101
  H     11.70754154      9.67320927    -12.58116323
  O     17.06890309      7.31483350    -11.53241562
  H     19.45013483      8.30923495    -16.45246434
  H     13.08667145     10.10884950    -12.01514494
  O     15.32768325      9.01510022     -8.45572282
  H     18.49926014      9.10379865    -15.53204146
  H     14.17443144     14.18878952    -14.17403031
  O     12.34920390      9.49771824    -11.88140859
  H     16.06537803      6.49611760    -15.36541174
  H     14.89991780     12.98629665    -14.82140246
  O     14.22080097     13.23658259    -14.16891075
  H     17.16327013      7.17112091    -16.20719978
  H     14.17929273      9.28079017    -17.11847183
  O     14.41979488     10.15316065    -16.78650282
  H     19.20782936      7.83912222    -13.92753318
  H     13.60974883     10.60326659    -16.49557993
          69
 Energy    -249.66091783572847     
  O      0.97557562      1.34065012      4.82553499
  H      1.52351735      1.65216137      5.54232461
  H     -0.54015649      2.49585491      1.00771270
  O      1.40499763     -0.37072956     -2.91437446
  H      0.58214101      0.50129234      5.12431521
  H     -3.26151382      0.64493041      5.25160301
  O     -0.23541592     -0.96414871      5.60854601
  H      1.62781388     -1.22897328     -2.53491187
  H     -3.58706522     -0.86932932      5.13729213
  O     -0.75698753      0.24698559     -1.23892149
  H      0.54955679     -0.13403113     -2.52802106
  H     -2.62324409      2.15827992     -0.00847671
  O      2.02010962     -2.67331586     -1.26221744
  H     -0.22779938     -1.84646092      5.22308887
  H     -3.57141575      0.96471127     -0.22166477
  O      3.36791697     -0.76711092      0.14745399
  H     -1.16985699     -0.71141583      5.65102643
  H     -2.16717605     -0.04384944      3.51725185
  O     -3.02705188     -3.43865673      3.17528302
  H     -0.14157816      0.77051396     -0.70776252
  H     -1.14172131     -0.57383283      2.47955100
  O     -1.32599615      3.01909027      4.19023909
  H     -1.60676151      0.70737283     -1.20520217
  H     -0.75722520     -1.44108431     -0.72115098
  O      3.04802130      1.41832499     -1.68260929
  H      2.61827115     -3.38702776     -1.46698099
  H      0.23513467     -2.63072399     -0.75965540
  O     -5.51460016      0.41926157      3.17272408
  H      2.51652389     -2.04483796     -0.70748353
  H      1.38652423     -0.45748372      2.31060259
  O     -5.01630028     -1.89129823      4.48892818
  H      3.42390261     -0.00356057     -0.44106385
  H      1.73553502      0.75608578      3.19999386
  O     -1.39491054      2.55616253      1.45520002
  H      3.05312238     -0.42386058      0.99299474
  H     -4.32466420      2.99940193      5.20325427
  O     -2.87088480     -0.23887472      5.28217203
  H     -3.75465854     -2.95165770      3.58117730
  H     -2.98494404      2.61149362      4.54242483
  O     -3.06222317      1.63697840     -0.69372437
  H     -3.12870833     -3.35126183      2.22026898
  H      1.73074891      1.89112443     -0.40888431
  O     -1.87784734      0.03853196      2.60122538
  H     -1.31428638      3.07453464      3.22376443
  H      1.36706450      1.36168529      1.00219534
  O     -0.63131498     -2.35930290     -0.43057023
  H     -0.55598919      2.49185039      4.43117334
  H     -1.45239704     -3.49965577      3.87761062
  O      1.95544120      0.32675639      2.36498340
  H      2.50108035      0.82761763     -2.23098581
  H     -0.32187448     -4.35125061      4.50599778
  O     -3.88634487      2.29526709      4.73251070
  H      3.58017460      1.93668683     -2.27955812
  H      0.04273956     -2.44751727      2.80538574
  O      1.01882058      1.84746307      0.24006485
  H     -5.12436514      0.21889499      2.30976477
  H     -0.06461576     -2.07186326      1.28177837
  O     -0.53026668     -3.47545400      4.19310750
  H     -5.00862440      1.14713836      3.55174418
  H     -3.54902031     -3.71702656     -0.29362947
  O      0.21127774     -1.75697636      2.15170721
  H     -5.28929635     -1.09206818      4.00310724
  H     -2.27740228     -2.90038673      0.02015023
  O     -3.17704673     -3.09732275      0.32965436
  H     -5.78477275     -2.20566612      4.95743745
  H     -3.26667828     -0.27011816      1.52887397
  O     -4.03578957     -0.44097836      0.96132620
  H     -1.55308193      1.68673098      1.85594551
  H     -3.92439098     -1.34440348      0.64799050
          69
 Ord_Energy   -249.659912    
 O   0.309165657       3.26842046       3.77097511    
 H   0.918214977       2.58331585       4.07593298    
 H   0.818995774       3.78891635       3.14243150    
 O    1.20240438      -4.68214893       1.28247774    
 H    1.67685819      -4.42724895      0.471083730    
 H    1.12950182      -5.63254404       1.27359629    
 O    2.05534744       4.30255699       1.67248404    
 H    2.62972212       5.06404352       1.69554389    
 H    2.62977695       3.52008176       1.64778864    
 O    2.47776914      -3.63877487     -0.889842987    
 H    1.84462059      -3.10229754      -1.38414145    
 H    3.08574533      -3.01463389     -0.472107142    
 O   0.609941065      -1.67263603      -1.79430735    
 H   -7.13403225E-02  -1.16762674      -2.25553536    
 H    1.22023773      -1.01133001      -1.44519532    
 O  -0.782300711      -2.74343944      0.492045581    
 H  -0.347317398      -2.41524100     -0.303707808    
 H  -0.219870567      -3.44893479      0.828425050    
 O  -0.173337653       3.44814014      0.194335610    
 H   0.130684629       3.10754585     -0.661645830    
 H   0.574535906       3.86548853      0.636953294    
 O   -1.28295732      0.191356912      -2.75778794    
 H   -1.88351774      0.156229541      -3.49784708    
 H   -1.82795846      0.303162664      -1.95868766    
 O    2.21959639      -2.58177853       2.84261274    
 H    1.46364355      -1.99951637       3.01078176    
 H    1.87148106      -3.39284444       2.45241785    
 O   -2.22948384       2.18950415       3.39342284    
 H   -1.37657297       2.61503315       3.56639528    
 H   -2.53205967       2.51949072       2.54161048    
 O    3.72936749      -1.63804269      0.714918017    
 H    4.47359848      -1.15280855       1.08823037    
 H    3.20936918      -1.96774328       1.46447980    
 O   -2.62067151      0.548480332     -0.423210591    
 H   -2.90376687     -0.137838364      0.203934088    
 H   -2.84989858       1.41035426      -5.59720695E-02
 O    2.18052793      0.297596067     -0.442742437    
 H    2.73258591     -0.407486409      -7.19092488E-02
 H    1.35689569      0.350399613       7.18772337E-02
 O   -2.96862817      -1.35200524       1.42803001    
 H   -2.23458290      -1.93126643       1.16839445    
 H   -2.83458447      -1.12056553       2.35327744    
 O    3.42137575       1.89391005       1.56209350    
 H    4.23031044       1.40573549       1.76407087    
 H    3.02088404       1.44612563      0.806060672    
 O   -2.83353043       3.12873363      0.722383320    
 H   -1.91119504       3.36332726      0.519767463    
 H   -3.35940289       3.90742517      0.558026195    
 O    4.07423782     -0.941067457       4.23378372    
 H    3.47024226     -0.209523484       4.42030048    
 H    3.51514101      -1.65866196       3.90742970    
 O    5.48864079       6.87118620E-02   2.16656017    
 H    5.07714272     -0.308312923       2.96640205    
 H    6.42982531       7.85951093E-02   2.31619525    
 O   0.241440386     -0.697563112       3.28096199    
 H  -0.622015476     -0.725451529       3.71042037    
 H    9.65419412E-02 -0.253653109       2.43226171    
 O  -0.128085494      0.716866314      0.937439144    
 H  -0.110722721       1.68157673      0.906066000    
 H  -0.958353937      0.458600610      0.518646002    
 O    2.16149569       1.13854277       4.06380033    
 H    2.54936147       1.39153552       3.21628284    
 H    1.46537530      0.491974652       3.86820436    
 O   0.712689102       2.15425348      -2.06535459    
 H    4.12578583E-02   1.55585051      -2.41724849    
 H    1.39687705       1.58460569      -1.69295084    
 O   -2.40149951     -0.410606682       4.09057665    
 H   -2.94679117     -0.500617862       4.86680698    
 H   -2.38082504      0.539250493       3.86914158    
          69
 Energy    -249.65969008979900     
  O     -7.43371908     -2.74357440      6.38994717
  H     -6.63270347     -2.27132662      6.64391018
  H     -3.10071493      1.45106164      2.38168940
  O     -8.95373425     -2.59347298      2.09907017
  H     -8.12659998     -2.07994716      6.26144563
  H     -6.59674083     -1.02060079      3.65793692
  O     -7.69529197     -4.19601897      4.13512110
  H     -9.67218621     -2.06809280      2.46927226
  H     -7.88167288     -0.55035646      4.40929979
  O     -5.57983418      0.44308482      0.62785160
  H     -8.65095423     -3.17807991      2.80528164
  H     -4.51647295     -1.29039634      6.16677710
  O     -6.24905598      1.05885683      6.20841183
  H     -7.61598890     -3.73896827      4.99207976
  H     -4.38065880     -1.58562134      7.67976388
  O     -5.57652104      5.09656209      1.12384472
  H     -7.80195261     -5.12355988      4.32697167
  H     -2.47279739      3.54742409      2.11186529
  O     -9.29318927     -0.83056217      5.57298302
  H     -6.35544095      0.90642758      0.98485156
  H     -1.16548141      2.99374035      1.49314011
  O     -3.81433413     -1.25015922      4.58906752
  H     -5.88537289     -0.45098583      0.44341770
  H     -9.37120268      2.86885505      5.23793799
  O     -4.42989084      2.93426299     -0.08319505
  H     -5.78698420      0.35484730      6.67962771
  H     -8.79872148      3.68775895      4.06072569
  O    -10.99372572     -1.02509085      3.37127172
  H     -6.47998437      0.67530036      5.34636709
  H    -10.31922844      2.15086713      3.23549230
  O     -6.78735235     -2.14363923      0.49868384
  H     -5.22744601      4.32993745      0.63523023
  H     -9.56851511      1.43998084      2.11186349
  O     -3.80078144      0.91169298      2.77094948
  H     -5.74427985      5.77881043      0.47927249
  H     -5.90202022     -2.49504035      2.10868202
  O     -7.09940525     -0.24447103      3.93045139
  H     -9.33871858      0.04719001      5.97269109
  H     -6.27881974     -3.25090889      3.40786431
  O     -4.99959772     -1.29822532      7.01417753
  H     -9.98847097     -0.90091942      4.90542164
  H     -7.91130309      1.57224813      6.63662049
  O     -2.09703162      2.81691003      1.58787131
  H     -3.67726724     -0.47139786      4.03498796
  H     -9.01998463      2.06112518      7.59787179
  O     -9.62028767      3.34790313      4.43948079
  H     -4.33835930     -1.85365066      4.04335073
  H     -3.89370429      4.18094046      3.68869134
  O    -10.41766338      1.45359510      2.57114329
  H     -4.82052108      2.05407523     -0.00873899
  H     -4.13609176      5.01065791      2.41456446
  O     -5.67857557     -2.58725424      3.04328909
  H     -3.55865677      2.87089689      0.32755358
  H     -4.56552998      2.13457755      3.89746148
  O     -8.86737994      1.72724582      6.71696741
  H    -11.92231970     -1.20660378      3.25689850
  H     -5.27851884      2.33937475      5.25428576
  O     -3.44210579      4.70279392      3.01116930
  H    -10.84250064     -0.11523834      3.05229521
  H     -7.53926316      2.41857014      2.28883999
  O     -4.92307337      2.81088483      4.49201416
  H     -6.88090636     -2.69048168     -0.27722968
  H     -7.52304170      0.90544861      2.63118664
  O     -7.69094303      1.53967102      1.91636186
  H     -7.61782410     -2.23266148      1.00041445
  H     -6.70812432      4.46167167      2.47388599
  O     -7.11343311      3.95085848      3.18609300
  H     -4.40423587      0.67928116      2.05191537
  H     -6.38126864      3.58999327      3.70637814
          69
 Energy    -249.65947131431597     
  O     11.60663283     12.25079195    -13.03514528
  H     11.63819574     11.54041477    -12.36802259
  H     14.42441164      7.39680817    -13.77316346
  O     19.11708087      9.64351910     -9.78415496
  H     10.71258828     12.58167395    -13.04401952
  H     15.43396718      9.59503517    -13.09483724
  O     17.24778478     12.27929068    -12.57040561
  H     19.76990103      9.56925501     -9.09258124
  H     14.55147611     10.75483820    -13.66159534
  O     12.45518272      7.62092461    -11.55314923
  H     19.60488411      9.74729779    -10.62015506
  H     13.53102786      9.84479383    -15.90161878
  O     17.42266536      7.64354777    -10.82828760
  H     16.90106668     13.15803073    -12.76638816
  H     13.14161033      8.98958583    -17.12941097
  O     14.85477163      8.18265426    -10.06815867
  H     16.52537642     11.65527385    -12.74523191
  H     17.27259021     11.99754611    -10.72744595
  O     19.41014397      6.96073093    -12.66630209
  H     12.76209978      7.51674777    -12.47114615
  H     17.80006417     11.00685561     -9.68412450
  O     13.39865237     11.32422965    -14.98119592
  H     11.88320881      6.87981713    -11.37081603
  H     20.20072956      8.71909521    -12.43925299
  O     18.27158754      8.31701455    -14.89394108
  H     17.95660836      8.33023370    -10.40734890
  H     20.01650336     10.16460366    -12.95248131
  O     16.50653592      9.42006117    -16.82939996
  H     16.53141277      7.72015348    -10.45260857
  H     16.10109108     12.82696529    -15.90010036
  O     17.60228543     11.88704675    -16.62819945
  H     14.05916941      7.89181976    -10.53015683
  H     15.49827712     13.75932794    -14.81755145
  O     13.49261882      7.34301655    -14.03364055
  H     14.76197367      9.13758786     -9.97399009
  H     15.07018913     14.28609052    -12.61855758
  O     15.16804828     10.51344695    -12.96072245
  H     18.71103892      7.07936572    -12.00220576
  H     15.92274268     15.53711136    -12.94083009
  O     13.69828510      8.99950481    -16.35433352
  H     19.78119424      6.09416784    -12.51925986
  H     14.04162325     12.82964531    -11.08970931
  O     17.12878238     11.68463534     -9.82319238
  H     13.99721462     12.04179337    -15.24597286
  H     13.01589766     13.21148695    -12.17147112
  O     20.34704753      9.64489646    -12.20886122
  H     12.71637951     11.68406730    -14.40176056
  H     18.64503160     11.34313610    -15.13973483
  O     15.27337753     13.19351277    -15.56614079
  H     18.52629087      9.22772677    -14.67951293
  H     18.41600889     11.44653453    -13.62654227
  O     15.81455362     14.61467424    -13.15500303
  H     18.76279039      7.74462888    -14.29232584
  H     12.00739367      9.41804186    -11.29240561
  O     13.79741685     13.53090783    -11.70419764
  H     17.06392124      8.85382544    -16.28074006
  H     12.71319437     10.62932313    -10.65419479
  O     18.93122592     10.97147810    -14.29638476
  H     15.58895937      9.17930198    -16.65779584
  H     14.68760303     10.82395379    -11.27436523
  O     11.91626665     10.36592327    -11.13264029
  H     17.17421064     11.02155363    -16.76169625
  H     15.39600131     11.30653153     -9.98079028
  O     14.53218433     11.05714621    -10.34334598
  H     17.95215514     12.15161106    -17.47532422
  H     16.79137227      8.03179378    -13.91132669
  O     16.07301476      7.92075784    -13.27528584
  H     13.43970394      7.82353489    -14.86682988
  H     16.47975087      7.80740327    -12.40712692
          69
 Energy    -249.65923755478229     
  O     -3.67739610     -2.00555345      6.65112370
  H     -2.72040465     -2.12588754      6.58731046
  H     -1.68045579     -5.27047688      0.98564599
  O      1.31657320      0.73436951      3.51545000
  H     -3.90975611     -1.29735985      6.03757905
  H      2.49018499     -2.28748166      2.83468069
  O     -2.72630631      0.80644122      2.77161281
  H      0.54330659      0.22375540      3.81430037
  H      2.31374369     -0.92474450      3.54933975
  O      1.72268743     -3.27757336      5.78747868
  H      1.47131293      1.40878285      4.17308565
  H      0.26988846     -2.61832638      1.63373789
  O     -4.72933822     -4.31433210      5.68042116
  H     -3.16738551      0.24609875      2.11073963
  H     -1.02425473     -2.05043811      0.95764119
  O     -1.01443982     -2.71137987      6.02775644
  H     -2.08551083      0.25343255      3.24612696
  H     -1.81524549     -3.58501811      2.16708293
  O      0.64703574     -5.52815495      4.38202090
  H      2.43814520     -3.35568511      6.41286095
  H     -3.30911027     -3.75950821      2.54369461
  O     -4.69624618     -2.77910898      3.25756178
  H      2.05791702     -2.74623848      5.04282110
  H      1.91625987     -2.94693445      0.40846098
  O     -0.32228227      1.32619801      1.23429650
  H     -5.40817765     -4.68163939      6.23981766
  H      1.85402079     -4.15180455      1.41553274
  O      1.36150219     -5.91053720      1.80421465
  H     -4.40979485     -3.50407997      6.11790953
  H      1.07022013     -1.49820884     -1.23117239
  O     -0.87232103     -4.00813480     -1.84300606
  H     -1.38397399     -3.52260366      5.64978933
  H      0.71023382     -2.96962667     -1.52473518
  O     -1.05154338     -5.59623809      0.32816804
  H     -0.06111618     -2.85345511      6.08889608
  H     -0.96718434     -1.41058013      4.77293250
  O      2.60070525     -1.83456979      3.68284546
  H     -0.28098531     -5.53170471      4.64798160
  H     -0.77387527     -1.34754523      3.23021247
  O     -0.63200309     -2.31499978      1.79920400
  H      1.06621649     -4.81299459      4.87559400
  H     -0.03856634      0.60499482     -0.31849347
  O     -2.50723804     -4.24740665      2.31585948
  H     -4.65116916     -1.90610006      3.66875747
  H      0.17271289      0.84491306     -1.82997021
  O      1.96468033     -3.19557262      1.34413086
  H     -4.85172566     -3.39180439      3.98781199
  H     -1.68345223     -2.52017434     -1.11570022
  O      1.42137722     -2.39679545     -1.21062355
  H      0.33601374      1.19683824      1.92760922
  H     -1.33785807     -1.01655602     -0.93004436
  O     -0.87766897     -0.80426120      4.02882215
  H     -1.18076279      1.32189087      1.67410513
  H     -3.95317931      0.26523969      4.00603414
  O      0.05910493      0.15804660     -1.17833793
  H      1.92717310     -6.67683438      1.75655423
  H     -5.34589729      0.31619418      4.66162672
  O     -1.92577596     -1.72231267     -0.62785868
  H      1.10719862     -5.80839981      2.73919605
  H     -2.18551790     -4.85567120      3.96557521
  O     -4.55784128     -0.21816593      4.59023231
  H     -1.08827296     -4.50788109     -2.62531237
  H     -2.98200010     -5.00772975      5.27323356
  O     -2.08985585     -5.05179999      4.91071909
  H     -0.93589707     -4.62338474     -1.09002558
  H     -4.34477635     -1.68642366      1.55626350
  O     -3.99654197     -0.93058441      1.07374877
  H     -0.23365138     -5.77947560      0.80678957
  H     -3.38545732     -1.27371457      0.40682477
          69
 Energy    -249.65868594609128     
  O     11.86507917      7.06920801     -9.92811314
  H     11.30044530      6.92235460    -10.69809400
  H     17.82727779      8.02655066    -16.24951958
  O     14.01590213      7.61923242    -15.37669539
  H     12.37818748      6.25839576     -9.81941309
  H     15.21664768     12.19125521    -14.08400863
  O     18.34803040      9.98857695    -11.33088436
  H     14.67673530      8.14480437    -14.89556926
  H     13.73666473     11.99086843    -13.72463496
  O     16.25420484     11.45346404    -15.46381280
  H     14.20649859      7.75577777    -16.31157566
  H     15.90263574      9.41560017    -13.21388214
  O     12.10336226      8.70608790    -13.73179026
  H     18.70607763     10.46676705    -10.58720020
  H     16.72721871      8.44077202    -14.12803883
  O     14.60709045      5.28969395    -14.02840888
  H     17.40362420     10.21592767    -11.38033895
  H     14.33793552      5.34559964    -10.50666234
  O     15.68296213     10.41175030    -11.65514295
  H     16.17041170     10.57977110    -15.05187931
  H     14.08987776      4.25263971     -9.44340276
  O     13.93149364     10.87480631    -16.87756667
  H     17.15497477     11.49847223    -15.80230734
  H     18.16209125      8.07903115    -11.44425755
  O     17.04660045      4.86742866    -15.22814835
  H     12.03707150      9.62241658    -14.02936730
  H     17.13051797      6.91795281    -11.55674001
  O     18.89248492     11.00559186    -16.29674500
  H     12.68310821      8.25803116    -14.36536845
  H     11.71146081      5.20745846    -12.62411727
  O     14.97999080      8.38713497    -17.88719838
  H     14.33820790      6.04602791    -14.56932998
  H     12.71540070      4.46700707    -11.72168404
  O     17.57038171      8.55293902    -17.01444707
  H     13.80765324      4.91382826    -13.63222142
  H     19.14225643      9.90149241    -13.08137625
  O     14.58674785     12.25058674    -13.35186909
  H     15.30330273     11.15551067    -12.14842324
  H     19.20480216      8.81424406    -14.17101367
  O     15.95535708      9.01929800    -14.09191295
  H     14.94812808      9.85312436    -11.36634127
  H     17.83947407      6.38516043    -14.78621414
  O     13.64678056      4.82596182    -10.06353438
  H     14.17328794     10.05688316    -17.32543212
  H     18.20694559      7.13727655    -13.48159885
  O     18.04301581      7.17228180    -11.75119515
  H     14.75826285     11.20977393    -16.50105304
  H     12.79240205     11.12118719    -15.57884443
  O     12.38302036      4.51422369    -12.62677543
  H     16.17135326      4.89597081    -14.80838516
  H     11.58839646     11.92853275    -15.04141611
  O     19.45107492      9.72789407    -13.97866882
  H     17.21833875      3.95035370    -15.42473324
  H     14.77053231      7.23338155    -11.51047656
  O     18.14081723      7.24009910    -14.44598116
  H     19.65681683     11.44838376    -16.65426090
  H     15.15900514      6.04370625    -12.43576203
  O     12.24405311     11.28307227    -14.78960850
  H     19.16238341     10.62161759    -15.44244992
  H     13.01541605      8.21666394    -10.71205184
  O     15.32470994      6.44256800    -11.56970275
  H     14.98202105      8.01835896    -18.76643494
  H     13.11775880      8.74045153    -12.16872396
  O     13.61110082      8.64433777    -11.34392337
  H     15.91130639      8.44646747    -17.60955853
  H      9.67385454      6.80199415    -12.74660190
  O     10.59166195      6.75352836    -12.49034449
  H     18.02765546      9.39699922    -16.91502896
  H     11.05005374      7.46953676    -12.96011594
          69
 Energy    -249.65807317033318     
  O     14.20271476     12.84009043    -15.14794636
  H     14.73126081     12.48289442    -15.87258956
  H     18.12428517      6.89956014    -15.93183596
  O     15.34537126      4.78504847    -14.59925360
  H     14.43937568     12.33291480    -14.36105175
  H     17.42768922     10.46669861    -15.17212843
  O     19.20874695      6.79512523    -12.93821246
  H     15.81975678      4.92679201    -13.76480861
  H     16.75442441     10.59514442    -16.56801829
  O     12.60443081      5.73773304    -14.30823463
  H     14.42823702      5.03955336    -14.46203060
  H     15.37121999      8.17195494    -14.13556655
  O     15.98521041      8.97575990     -9.74533208
  H     20.10663898      6.48017250    -12.88191418
  H     14.71227505      7.86050909    -12.75239031
  O     13.43731503      6.83416744    -11.86810016
  H     19.06417582      7.06639967    -13.86283840
  H     12.51423589     12.61364656    -15.54025433
  O     14.64774665     11.09802733    -12.94760507
  H     12.54006017      6.54636229    -14.84326332
  H     11.06929095     13.07676444    -15.85766421
  O     12.88534111     10.40196898    -17.48209648
  H     11.86874756      5.18428601    -14.55884276
  H     17.64822110      5.78127443    -12.47978746
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  H     13.06399996      6.38307127    -12.63419714
  H     16.61879476     11.44752789    -13.26576838
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  H     16.82852271      5.14340038    -17.35126054
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  H     14.60249610      6.36844168    -10.64106203
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  H     15.04015411      5.57023854     -9.39082559
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  H     15.76888291      7.25014694    -16.28135260
  H     14.53164622     11.06796834    -17.49819791
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  H     13.99590018     11.39962507     -9.48876030
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  H     12.43100971      8.82013577    -15.02935042
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  H     18.34684388      8.41701886    -15.73576033
  H     11.74447861     10.93657175    -14.47819859
          69
 Energy    -249.65753025418124     
  O     16.04239223     13.06223883    -12.17421122
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  H     13.07808636     12.91754161     -6.05076588
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  H     16.76346968     14.23480810     -9.35508435
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  H     15.06418043      7.62720796     -5.21928021
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  H     15.47030175      8.05528487     -3.79465557
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  H     17.71056662     11.09279400     -9.32488526
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  H     21.16997965      8.28505138     -9.19722052
  H     17.21507718     10.90399332     -5.59139996
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  H     19.04398392      7.95595766     -5.93903469
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  H     18.93990267      9.45923529     -6.31777801
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  O     18.18051756     10.91120880     -5.59261958
  H     15.34934428     10.49059829     -4.36663252
  H     17.37166769      7.75058619     -9.64503387
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  H     15.03149600      9.97869560     -5.79754794
  H     16.58803901      9.64640658     -2.76069382
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  H     15.14939158     11.62851726    -11.36065308
  H     15.37608080      9.83781151     -1.81595792
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  H     17.42600417     11.79018983    -12.49309149
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  H     14.31080281     11.98304956     -6.07064863
  H     17.50557812     10.25677000    -12.56216379
          69
 Energy    -249.65746941592977     
  O     -3.98672054      3.66865859      4.01648988
  H     -3.56283687      4.22803080      3.34638793
  H     -1.36682844      3.32868862     -0.48807933
  O     -0.42065982      1.30075686      2.54701018
  H     -4.92053962      3.57391175      3.79183652
  H     -3.33563353      4.33297739     -0.83751653
  O     -2.60812473     -0.75530655      4.73602976
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  H     -4.05008997      5.65628487     -1.19556449
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  H     -7.44344108      3.43385028      3.38191186
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  H     -1.83832490      4.58125221      1.74028202
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  H     -3.87466824      0.82901640     -0.23302694
  H     -3.18385075      5.06739783      1.17770164
  O     -2.80591986      2.33311977      6.13509671
  H     -4.03422533      1.15929031      1.27222627
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  H     -2.83692951     -1.77153399      3.28836398
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  O     -6.60474716      3.02684531      3.18138953
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  O     -2.68653750      4.95942360      1.99828372
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  H     -1.28598737      1.60882113      5.67342411
  O     -6.01026798      3.31650895      0.57906093
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  H     -5.29927171      0.23158813      5.44468291
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  H     -5.90542852     -3.95168162     -0.72334069
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  H     -5.66954131     -1.96366561      0.93589263
  H     -4.54756717     -3.74414853     -0.01290829
  O     -4.74254276      0.19790454      6.24452159
  H     -5.30402127     -0.46952659      1.10802172
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  H     -3.42451056      2.14203350      3.23451825
  O     -3.12929559      1.33598144      2.78911567
  H     -2.13513752      2.27729652     -1.32372195
  H     -3.13793876      0.62256703      3.43730325
          69
 Energy    -249.65741407206974     
  O     -6.39914840      1.51530983      1.07169441
  H     -6.57274061      1.54443654      2.02018381
  H      0.33483602      3.27412400      2.49405804
  O     -4.66372848      2.15159758     -2.19812573
  H     -5.69683537      2.15745638      0.89567110
  H     -2.20114557      4.30069597     -1.52130252
  O     -6.40904073      1.56837752      3.88065819
  H     -3.92568405      2.55793927     -2.66978483
  H     -1.47945114      4.62566911     -0.18712420
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  H     -3.65375889      3.82134862      0.11387786
  O     -2.62083705     -1.45905310      0.52492199
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  H     -3.56443904      2.38885093      0.68958788
  O     -4.39814248     -0.60246897     -2.77616345
  H     -7.01960292      1.89129518      4.53733411
  H     -0.76924554      1.46579409      0.33916354
  O     -5.37418143     -1.09163601      0.78195586
  H     -1.32836849     -1.60961771      1.85477042
  H      0.69138229      1.02402361      0.58565482
  O     -1.96754657     -1.53870285     -2.21082267
  H     -1.24394219     -1.33040794      3.36734341
  H      0.98459033      4.64337176      0.42359017
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  H     -3.58704005     -1.43229400      0.56748766
  H      0.26485014      3.27716067      0.35018920
  O     -0.79162970      1.04268131     -2.58033052
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  H     -7.55833270     -2.04473424     -1.94454566
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  H     -7.09880126     -0.59931767     -1.63531617
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  H     -5.21278449     -1.01255266     -2.46444081
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  O     -2.31870421      4.71064947     -0.65469191
  H     -5.66626166     -0.17358648      0.87619981
  H     -2.13930118      0.95069202      4.27796686
  O     -4.19037751      3.10055128      0.47560001
  H     -5.87222332     -1.44005201      0.03314179
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  O      0.13299412      1.53587579     -0.01258368
  H     -1.75192660     -2.28592239     -2.76231737
  H     -5.45055698     -0.06360698      3.76619405
  O      0.19757342      4.18038511      0.70349887
  H     -2.85699485     -1.23609841     -2.47583274
  H     -2.26872976      1.35129410      2.08409721
  O     -6.82547665     -1.53487918     -1.61118138
  H      2.18806676     -0.26929886      2.26686435
  H     -2.47232063      0.28043799      0.95418540
  O     -2.13230039      1.81232500      3.84505481
  H      0.64974053     -0.42808651      2.28333235
  H     -7.17872599      1.32715127     -0.61393564
  O     -4.90323991     -0.83986623      3.59226078
  H     -1.14727609      0.14890853     -2.51697469
  H     -6.53169466      1.58011496     -1.98160784
  O     -2.35533217      1.22318323      1.12944864
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  O     -7.27969832      1.14052100     -1.55833212
  H     -3.33764057     -0.88998335      4.33111848
  H     -4.32792535      3.50160943      2.45247235
  O     -4.40874664      3.31226683      3.39277299
  H     -2.50686049     -1.25388797      5.58493155
  H     -1.70956097      2.45418563     -2.98552978
  O     -2.24305575      3.25393829     -3.14303743
  H      0.82277789      1.86112332      2.88792419
  H     -2.00161700      3.57975029     -4.00602251
          69
 Energy    -249.65714069551512     
  O     20.32026672     12.05433514    -19.12175908
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  O     22.34520569     12.42388494    -14.89402665
  H     17.11079843     18.04811468    -15.45728236
  H     14.62564963     12.53860661    -13.94130179
  O     15.95517037     15.29291204    -14.21639360
  H     17.95735128     17.73349798    -14.21197125
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  H     21.45142095     14.72879596    -12.82693051
  O     15.90057695     11.33411272    -13.12432295
  H     22.36507103     12.73278899    -15.81962500
  H     18.39529773     13.08994413    -13.71174282
  O     14.16998514     11.90779505    -16.93502767
  H     16.25680213     16.21385280    -14.19837801
  H     17.12303213     12.71421267    -12.91973429
  O     22.20849829     13.31919440    -17.41419239
  H     16.62719047     14.74769567    -13.78817336
  H     17.02733775     10.55000506    -16.17187957
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  H     15.58780692     12.62941774    -17.89806038
  H     15.50010603     10.75681438    -16.14906178
  O     19.56378375     12.67907615    -14.97433732
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  H     16.89585853     17.08795720    -17.34232615
  O     18.62436764     14.03471185    -19.74414331
  H     16.07431256     10.93944581    -13.99837926
  H     16.58901952     18.47612069    -17.94739638
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  H     15.65145667     10.61859777    -12.54554490
  H     20.55420549     17.25361892    -14.13559160
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  H     13.28053901     11.69086285    -17.20045470
  H     19.69960521     16.45739607    -13.10645514
  O     22.25361261     14.79177845    -13.35799197
  H     14.10129422     12.40918995    -16.10253561
  H     19.65737804     15.05411338    -10.98317743
  O     17.77672377     13.41436031    -13.03837420
  H     21.60155875     12.88537147    -18.02633335
  H     19.01592491     14.42054305    -12.23680582
  O     16.23459916     10.38326751    -15.64608605
  H     22.03773873     14.26826368    -17.47545131
  H     19.10211688     11.43538031    -17.82366265
  O     17.23196365     17.99818407    -17.42776728
  H     22.39680809     16.27202306    -14.26416101
  H     18.83278322     11.76676573    -16.33893584
  O     19.65001169     17.07811083    -13.84528376
  H     23.09038029     17.63209287    -14.52566511
  H     19.22249701     15.87553757    -15.19303530
  O     19.73849078     14.99379803    -11.93219189
  H     20.50429561     12.49096721    -14.87442352
  H     18.30020708     15.29784415    -16.31558471
  O     18.44372962     11.35237462    -17.12298012
  H     19.48559222     13.57224343    -15.34902440
  H     20.11347471     16.59084300    -18.54301578
  O     19.15520519     15.19883341    -15.87926530
  H     18.79674125     14.96662727    -19.54717377
  H     18.70581975     17.22438749    -18.50471375
  O     19.27825321     16.64957601    -19.02412849
  H     17.75758564     13.81475492    -19.38592890
  H     16.23709235     15.30594692    -16.01110284
  O     16.56110756     15.41659059    -16.91589654
  H     21.84567565     16.49063420    -16.52959159
  H     16.45768675     14.57853510    -17.38447860
          69
 Energy    -249.65660025576213     
  O     13.00234690     12.17944418    -14.26109490
  H     13.88048928     12.56528834    -14.17068413
  H     16.27592594     11.59470244    -17.05268153
  O     17.98519005      9.13889630    -11.51566410
  H     13.04874240     11.59772376    -15.03412908
  H     15.51234202      9.73010859    -13.72982158
  O     17.88790847      9.17582736    -15.72771816
  H     17.92588966      8.99768176    -10.56279805
  H     14.71751196      9.72194889    -15.07047657
  O     12.11707250      7.82727277    -16.21422935
  H     17.32574255      9.80872948    -11.75354404
  H     12.04309219     11.36316799    -13.08964956
  O     14.85177463      8.94046878     -8.58165408
  H     17.03342250      9.18842361    -15.26726877
  H     10.72911503     11.28043793    -12.27446383
  O     13.94687258      7.36912291    -11.78735653
  H     18.58721988      9.21516035    -15.05940565
  H     16.72869789      6.06719078    -10.62610958
  O     15.98153285     10.82157400    -12.30689478
  H     12.00059872      7.91778668    -15.24929611
  H     17.11396424      6.73068042     -9.29255042
  O     16.36090161      8.39277810    -17.95185301
  H     11.31044928      7.45222747    -16.55562961
  H     12.60570274      7.81233359    -12.99103624
  O     14.03507740      6.25737237     -9.19303330
  H     14.46642788      8.05780994     -8.65124225
  H     11.71454286      9.05938713    -13.19366823
  O     14.81571551      6.96054962    -16.04036074
  H     14.43160199      9.46425598     -9.27649335
  H     20.51148757      8.68926534    -13.47712821
  O     17.32450863      6.30514481    -14.95525542
  H     14.84593277      7.17190578    -12.08581608
  H     19.18301299      9.15150431    -12.85439267
  O     16.82485345     11.80509419    -16.28785858
  H     13.83111434      6.91565266    -10.94275856
  H     17.12735671      7.60402289    -12.10337823
  O     15.37342541      9.24087962    -14.54837972
  H     15.17983540     10.69331038    -11.77959455
  H     16.90030585      6.53402120    -13.21018534
  O     11.54762611     10.82353790    -12.44667467
  H     15.90441993     11.64249908    -12.80801242
  H     17.97018875      8.83339150     -7.99556143
  O     16.68741113      5.95002519     -9.66567008
  H     17.07176529      8.62672456    -17.33936592
  H     16.58742543      8.76969013     -8.68548236
  O     11.92482492      8.19353302    -13.56167979
  H     15.78705356      7.79305898    -17.45718385
  H     15.13619383     10.99979705    -19.32194531
  O     19.69813776      9.14619629    -13.67690483
  H     13.63811450      5.52380600     -8.73213994
  H     15.59575526      9.89425117    -18.33828734
  O     16.62597374      6.80841012    -12.32518537
  H     14.97879628      6.04213820     -9.30881949
  H     13.83015286      9.09329626    -11.24462901
  O     17.53482611      8.57612870     -8.80382248
  H     15.02282663      7.66086579    -15.40091386
  H     12.93640108     10.35702473    -11.32617969
  O     15.16726568     10.76797386    -18.39815174
  H     13.86829606      7.03880442    -16.19585434
  H     16.13883957     12.58843688    -14.87874226
  O     13.74717633     10.00912879    -10.93563618
  H     17.75089974      7.10285832    -15.28302070
  H     16.08901312     13.86857647    -14.01479952
  O     15.74412377     12.98180757    -14.08027950
  H     16.47206722      6.26612447    -15.41089751
  H     13.91423999     10.50030545    -17.07566104
  O     13.40920473     10.33373011    -16.26946996
  H     17.36035606     11.01852726    -16.12905887
  H     12.91847966      9.50945401    -16.38145285
          69
 Energy    -249.65648398779132     
  O     11.78502146     10.94875756    -13.89549892
  H     12.39853800     11.68928952    -13.96093708
  H     15.69087759     11.67558738    -16.47184568
  O     16.04913517      6.94084669    -13.64016193
  H     11.97984265     10.37175401    -14.64732842
  H     15.72818083      9.73782919    -15.08693186
  O     17.87504507     10.61052964    -11.98899781
  H     15.71093216      7.80288799    -13.93085838
  H     14.23251630      9.31832602    -14.92025703
  O     16.96083127     10.35366692    -16.26341405
  H     15.60540173      6.75940950    -12.80135959
  H     10.54685015      9.51458919    -11.38605335
  O     12.39560250      6.44520907    -15.50028662
  H     18.03096549     10.53803056    -11.03899395
  H     11.51416448      9.95801851    -12.51004802
  O     15.77564282      9.06491300     -8.53604764
  H     16.96484483     10.91383544    -12.10289261
  H     18.72082970      7.41870227    -10.95634473
  O     14.65126475      6.83511929    -11.24069393
  H     16.89746609      9.60949234    -16.87239826
  H     18.66888997      8.27810528     -9.68045098
  O     15.18287363     11.21287478    -12.47279229
  H     17.76817007     10.26188891    -15.73489369
  H     11.93689400      7.66735064    -12.49214643
  O     16.11923473      8.20403675    -17.95505426
  H     11.73374661      5.79396575    -15.71583599
  H     13.10337781      6.68457889    -12.27885552
  O     16.34831949      6.29344109     -9.07745095
  H     12.38060579      6.54782070    -14.53037426
  H     18.76287649     10.54906411    -13.72277596
  O     15.16165483      6.37690442    -16.21741718
  H     15.88320150      8.10676607     -8.57690198
  H     19.12752942      9.15719516    -14.19451613
  O     14.82778624     12.09932055    -16.58667158
  H     15.07403185      9.28169348     -9.16523552
  H     18.22309911      8.80757081    -12.47257067
  O     15.08288360      9.36959220    -14.46747055
  H     15.18406342      6.51252362    -10.50388286
  H     17.71399471      7.47901715    -13.08620596
  O     11.40703176      9.34479300    -11.76045917
  H     14.46979316      7.76814996    -11.05578985
  H     17.30956937      9.79938052     -8.93909831
  O     18.65937833      7.36527063     -9.99235887
  H     14.76261875     11.96879680    -12.89694406
  H     18.55739220     10.60727492     -8.51043099
  O     12.33963497      6.86377034    -12.84249229
  H     15.13852840     10.50127718    -13.13270502
  H     14.68687803      9.31180507    -18.24395433
  O     19.03523699     10.06314853    -14.51348773
  H     16.68868866      7.74742977    -18.56877752
  H     13.65012326      9.92276978    -19.21205707
  O     18.49965045      7.91479386    -12.72885799
  H     15.78458734      7.53156737    -17.33354807
  H     13.05528283      9.47437586    -10.90870301
  O     18.18694529     10.10531022     -9.23131473
  H     16.52550851      5.55986267     -8.49550013
  H     14.40758776     10.16660082    -11.20883560
  O     13.90498976      9.88463933    -18.29323980
  H     17.21062927      6.60390061     -9.40925368
  H     13.67178922     13.91670823    -14.26263374
  O     13.98441866      9.50098096    -10.64879091
  H     14.21434535      6.30890337    -16.04963974
  H     14.15985132     12.69207872    -15.06640581
  O     13.79572422     12.97272338    -14.20837160
  H     15.57421307      6.40280343    -15.34252829
  H     12.48324127      8.24699436    -15.83926996
  O     12.64868108      9.19820462    -15.88239012
  H     14.37130249     11.53688232    -17.21987473
  H     12.96365119      9.40757372    -16.77021605
          69
 Energy    -249.65570121367034     
  O     11.97992049      9.65808101    -10.57530005
  H     12.79260233     10.15088214    -10.77771725
  H     15.14849772      6.96244787    -15.32772901
  O     13.75999209      4.14933166    -15.15931254
  H     11.46431983     10.20632581     -9.98837220
  H     14.84838172      4.09505820    -12.22631507
  O     14.57440154     11.58603735    -13.93092330
  H     13.43551690      3.35636324    -15.57717689
  H     16.12718925      4.09911102    -13.09340085
  O     15.53427619      8.85162534     -8.28390303
  H     14.28999148      3.86560397    -14.39227148
  H     14.13799145      7.90007681     -8.96654864
  O     18.35628835     10.25370364    -10.23605985
  H     13.74146169     11.25493839    -14.28958059
  H     12.85069493      8.12725260     -9.78127695
  O     11.13698917      8.59742096    -13.05231094
  H     14.49708365     11.50315706    -12.97190396
  H     18.84033861      7.68706268    -15.06951557
  O     16.88367088     10.80337082    -15.15366457
  H     15.67124381      9.78172569     -8.49481903
  H     20.28337320      7.28852488    -14.66666156
  O     14.37495816     10.86263476    -11.19688967
  H     16.38035488      8.42244776     -8.45830741
  H     11.81520975      9.66887201    -14.23866319
  O     16.55130393      6.35330195    -11.08486351
  H     18.34328841      9.36162737     -9.86483151
  H     11.72979568     10.33677903    -15.63092001
  O     17.62418712      8.18852603    -16.20017191
  H     18.45853285     10.14808029    -11.19023785
  H     13.19432282      6.92078767    -13.81387538
  O     17.39089499      5.55611625    -13.59232447
  H     11.35935067      8.90098921    -12.16215757
  H     12.79836687      5.46411873    -14.10849651
  O     15.64817600      6.22030481    -15.70597321
  H     11.44097443      7.68405196    -13.12103962
  H     14.80370872      8.48609052    -13.70702177
  O     15.28356123      3.64950420    -12.96621860
  H     17.15195615     11.53323050    -15.70717070
  H     13.68728626      8.92948381    -14.71200166
  O     13.42756235      7.43858968     -9.43493770
  H     16.05136537     11.07561418    -14.72984600
  H     13.44519585      5.67206363    -11.93163234
  O     19.40694805      7.42912611    -14.31831971
  H     14.92896059     11.23456888    -10.49908039
  H     13.72056428      6.04164403    -10.45542574
  O     12.31684441     10.18531639    -14.89533079
  H     14.84207900     10.07336760    -11.51470438
  H     18.51401119      7.02770813     -8.66014326
  O     12.62273317      6.19957280    -13.51014343
  H     15.65872641      5.98580163    -11.01190218
  H     17.51029613      7.11948737     -9.83213400
  O     14.28683013      8.21232749    -14.47854822
  H     16.91208457      6.06359863    -11.93438794
  H     17.00922615     11.13862290     -9.58273372
  O     13.97048972      5.42182425    -11.15997735
  H     16.92910668      7.51728002    -16.21672823
  H     16.47708192     12.24970383     -8.64745402
  O     17.99028640      7.64271208     -9.16729368
  H     17.21447808      9.02131368    -15.93690173
  H     15.93521461      7.94888593    -11.75269958
  O     16.19963960     11.52800201     -9.20469129
  H     18.19203547      6.06454666    -13.76494649
  H     16.66698508      9.10030756    -12.48278117
  O     15.79221963      8.76508507    -12.24635267
  H     16.78728671      5.76515056    -14.31980159
  H     17.92909618     10.16881764    -13.75170231
  O     18.31135042      9.68907667    -13.00411589
  H     15.03690995      5.47531514    -15.72617535
  H     18.78071410      8.92678582    -13.36634044
          69
 Energy    -249.65562507194960     
  O     15.98617812      8.41247969    -16.13821997
  H     16.30309577      7.57691763    -15.75866389
  H     20.19084466      4.12589480    -16.20232208
  O     13.87544510      5.33098686    -17.57663321
  H     16.41841990      9.10060061    -15.62169007
  H     18.13532648      6.91228411    -17.86903091
  O     18.18495302      6.13416206    -12.64355789
  H     13.08929383      5.12001911    -18.07271879
  H     19.41933829      6.07386561    -17.63655658
  O     19.95426867      4.33206470    -18.07345166
  H     13.62963167      6.02111614    -16.93277170
  H     17.54186705      6.08400945    -14.35152825
  O     17.26831516      4.07147892    -18.33488506
  H     17.90654281      5.25430277    -12.35488737
  H     17.89523911      6.20823463    -15.86326489
  O     12.73168262      6.62272749    -10.59004481
  H     19.13015318      6.12287300    -12.83857135
  H     14.21428553      7.86841317    -15.96747929
  O     14.62086118      4.17878659    -13.29177767
  H     20.44024170      3.93627787    -18.79155776
  H     13.48556012      7.14098195    -14.83509063
  O     16.38347153      8.15840060    -12.34600418
  H     19.01452959      4.11900692    -18.21588253
  H     16.36504142      4.35649965     -8.50903969
  O     17.91474197      2.71074000    -14.45938007
  H     16.95256101      4.96892038    -18.50182621
  H     15.94400480      5.42959706     -9.54071745
  O     13.53926450      4.02728389    -10.66885381
  H     16.76807636      3.76995185    -17.56873091
  H     14.95334903      4.25406889    -16.50298733
  O     19.65981030      8.40815181    -15.10294983
  H     11.86626526      6.75205232    -10.21269988
  H     16.19267387      4.66989485    -15.66943297
  O     20.16083594      4.14959528    -15.24015411
  H     12.91102893      5.66524439    -10.56988246
  H     21.65475396      6.08704609    -13.28493679
  O     18.93932163      6.85756042    -17.33875335
  H     14.42315612      5.12714230    -13.27212908
  H     20.61128490      5.44702947    -14.23471215
  O     17.17065565      6.06224011    -15.24178012
  H     14.81914998      3.95357804    -14.20706999
  H     16.17305463      3.86490615    -12.41774592
  O     13.45538091      7.29629071    -15.78831487
  H     17.05809469      7.46171275    -12.38200041
  H     16.82165635      3.85879963    -11.01776419
  O     16.09285168      4.47527323     -9.41495340
  H     16.69981153      8.86151586    -12.92404007
  H     15.82709188      7.58807554    -10.61134099
  O     15.64892722      3.90517165    -15.92935011
  H     17.68690950      2.89496460    -13.53861406
  H     14.51028394      7.07255322    -10.00052117
  O     20.77808667      6.20271403    -13.63998995
  H     17.11575085      2.88006376    -14.96889083
  H     16.15246142      7.50396336    -17.77469682
  O     17.01438054      3.73015120    -11.95483376
  H     14.36163857      4.02443405    -10.16281716
  H     15.40233171      6.27790105    -18.28579996
  O     15.46618756      7.09202295     -9.86587126
  H     13.79605764      3.88292725    -11.58939359
  H     14.81693124      7.37160674    -12.87913037
  O     16.23162631      6.76284716    -18.39293443
  H     19.49708313      7.99228065    -15.96045911
  H     13.46234852      6.89401136    -12.28527635
  O     14.00557041      6.88532598    -13.08314062
  H     20.12034064      7.74619456    -14.57411130
  H     18.32966941      9.39466758    -14.54866813
  O     17.53737967      9.89986555    -14.28987391
  H     19.41414780      3.59481176    -14.97119035
  H     17.80438938     10.81312699    -14.22868544
          69
 Energy    -249.65513977451388     
  O     15.01372971     12.74534189    -13.42801218
  H     14.14356371     12.75045295    -13.01003892
  H     11.50860350      5.51198850    -15.55433401
  O     13.86692859      6.79134253    -13.24755867
  H     15.51387924     12.05347761    -12.97532446
  H     16.29489577     11.17019095    -16.84031749
  O     17.85550480      8.29102490    -12.31163818
  H     13.39425452      7.16622635    -12.49136486
  H     17.11100831      9.88518394    -16.55887665
  O     17.38359707      8.71531050    -15.09094647
  H     13.20954565      6.46187592    -13.87339355
  H     14.35083131      8.33932374    -14.10761574
  O     13.22626179     10.59282088    -16.32045047
  H     17.38290041      7.48188261    -12.55744798
  H     14.12258531      9.59234806    -15.02828785
  O     15.16019413      8.86511880     -8.77579778
  H     17.95139480      8.25414463    -11.35120454
  H     11.82429239     13.06673026    -11.92731900
  O     12.48932849      7.92004536    -11.16437952
  H     17.79793328      8.70377280    -14.22027854
  H     12.06853398     11.87608990    -12.88521166
  O     15.94727413     10.35800349    -12.31571535
  H     16.43960556      8.88325062    -14.92942814
  H     16.32853608      5.61145249    -11.20231576
  O     14.19055154      6.61729636    -16.81943243
  H     13.83244494     11.34713864    -16.30236342
  H     16.79048973      6.39528564     -9.95865862
  O     13.77790342      6.38177537     -9.19318185
  H     13.48969542     10.04873663    -17.07230321
  H     11.25787227      8.10675716    -12.64128225
  O     16.88852928      6.12118899    -15.88852629
  H     14.64622844      9.50256055     -9.28804776
  H     11.14613544      7.62072681    -14.10618498
  O     12.02247398      6.24816229    -15.23287479
  H     14.63653261      8.05440866     -8.76901972
  H     16.68535078      5.79297517    -13.97085740
  O     16.66081961     10.37866968    -17.25617968
  H     12.79473962      7.35255622    -10.44506023
  H     15.50877320      6.22215477    -13.07858779
  O     14.74925094      9.15159613    -14.44443133
  H     12.85699003      8.80053451    -11.00059158
  H     18.25730143      8.20288731     -8.79090584
  O     12.47003931     12.41086047    -12.17471243
  H     15.43711131     10.00991548    -13.06507164
  H     16.79547885      8.43067671     -9.23792500
  O     16.19144988      5.69680073    -10.25027740
  H     16.68557274      9.74883955    -12.20718772
  H     15.34354298      9.48091926    -17.98049243
  O     10.83237221      8.29056398    -13.48870258
  H     14.30101771      7.41393565    -17.35344896
  H     14.52679887      9.09735737    -19.23784843
  O     16.44439562      5.96216376    -13.05447764
  H     15.07139352      6.37078359    -16.51501310
  H     13.22175606     11.10517331    -11.05536704
  O     17.65411771      8.06477931     -9.51637697
  H     13.49810340      5.72169455     -8.56465596
  H     14.56243703     10.35707333    -11.18948835
  O     14.54008976      9.02366843    -18.28710823
  H     14.60566730      6.05742087     -9.59080829
  H     15.17978897     12.66706973    -15.14368086
  O     13.73339058     10.37513171    -10.68696882
  H     17.14810737      7.03638649    -15.68882823
  H     15.27132458     13.45615660    -16.46848619
  O     15.22008356     12.57299777    -16.11231431
  H     17.57486916      5.75713350    -16.44282719
  H     11.15138265     10.01322303    -13.92738529
  O     11.45223217     10.90714889    -14.14588586
  H     12.74919849      6.37924213    -15.86833633
  H     11.93476549     10.83625728    -14.97767488
          69
 Energy    -249.65486656855339     
  O     13.60496273      9.06868490     -9.66355353
  H     13.01059141      9.04002445     -8.91900959
  H     17.71605945      6.71496150    -15.21170400
  O     15.95234417      4.61970482    -14.06731162
  H     14.05631946      8.20486019     -9.69991978
  H     15.81779271      9.55293057    -15.78728053
  O     15.23102455     12.27798777    -12.43671177
  H     16.83551668      4.96443530    -14.23596414
  H     16.14426721     11.03779127    -15.48640667
  O     17.36875369     11.96266772    -14.39513350
  H     15.39889942      4.95864919    -14.78454423
  H     15.16818753      8.55147123    -12.57489827
  O     11.02759299      7.69936899    -15.54847790
  H     14.46753391     11.99896096    -12.95803593
  H     16.46147452      7.91304601    -11.97665380
  O     17.53999133      7.38751925    -10.51755853
  H     15.96756302     12.30024801    -13.05738043
  H     14.67031990      6.05255821    -10.60244701
  O     12.68080832      6.51320448    -13.56969212
  H     17.81170433     11.30933226    -13.82710137
  H     15.86832355      6.82953742    -10.00608378
  O     13.34511601     11.04216126    -14.12998068
  H     18.02336766     12.61767588    -14.62389039
  H     14.05212274      3.89116419    -11.66729606
  O     13.29297442      9.80212545    -17.55877312
  H     11.44346978      7.22253937    -14.81885073
  H     14.92524585      4.70556796    -12.64544541
  O     16.32247701      7.84527099    -15.40778438
  H     11.47402594      7.40334473    -16.35148835
  H     17.48977440      9.50612875    -12.78687084
  O     14.25856738      6.05661234    -15.81796069
  H     17.77719211      8.25416848    -10.16213116
  H     18.43662279     10.16359659    -11.77001355
  O     18.34352794      6.03261940    -14.92082625
  H     18.23946174      7.16022904    -11.14813962
  H     19.10216950      6.80124027    -13.36533235
  O     15.47469443     10.45473247    -15.86480379
  H     12.88342435      7.37092792    -13.16449846
  H     19.24239955      8.21303668    -12.76085555
  O     16.09540327      8.35278858    -12.75375876
  H     13.06067238      5.84866932    -12.98318975
  H     17.30464688     10.44068150     -9.89801033
  O     14.90911361      6.71787279     -9.94629638
  H     14.06939623     10.82786898    -14.73624506
  H     18.67253164     10.47454566     -9.16880915
  O     14.24772141      4.78126326    -11.95055375
  H     12.52569973     10.94210009    -14.62995669
  H     12.95619103      8.10762345    -17.81165544
  O     18.31065128     10.01856664    -12.71698624
  H     12.55263909     10.14025680    -17.03948028
  H     12.46169269      6.97707214    -18.74617106
  O     19.37519718      7.27688526    -12.57086968
  H     14.09378375     10.10441100    -17.11176111
  H     14.96098616     10.39446947     -9.86229186
  O     18.21020752     10.07574688     -9.89996684
  H     16.25240475      7.98941345    -14.44919852
  H     15.50408704     11.47567107    -10.84121889
  O     12.69098397      7.17059344    -17.84148539
  H     15.59998917      7.24817705    -15.64865839
  H     10.28072050     10.76887034    -15.88323951
  O     15.70530130     10.98135801    -10.03261435
  H     13.68724927      6.22842132    -15.05408691
  H     11.04086215      9.44802768    -15.61256563
  O     11.15111782     10.40733897    -15.74066128
  H     13.76000247      6.31924412    -16.60108975
  H     13.31134685      9.70543057    -12.93107392
  O     13.38673279      8.88606683    -12.42373516
  H     18.83815268      5.76713525    -15.69265452
  H     13.32347377      9.07924290    -11.48011042
          69
 Energy    -249.65416502443344     
  O     11.14925614     10.83550001    -16.30704863
  H     11.57533229     10.30187391    -15.61401777
  H     15.19800151     10.47204101    -13.03496737
  O     13.58543722      8.95697006    -20.20241797
  H     10.30155026     11.10686703    -15.96521865
  H     17.21161038     10.03486094    -14.68508300
  O     12.10653703      6.22135087    -16.92203999
  H     13.44990662      8.50346246    -21.03079029
  H     17.08491257      8.50406685    -14.51551387
  O     13.88804487      8.05188220    -10.59823049
  H     14.23272684      8.43301298    -19.69817552
  H     15.52108349      5.57426378    -11.06469899
  O     17.32945619     11.56772825    -18.67805453
  H     11.86942159      6.32061167    -15.99330924
  H     16.71257420      5.83034651    -10.10896140
  O     14.80181652     11.45705184    -19.65672238
  H     11.86397826      7.04791369    -17.36552217
  H     12.75007209     11.65577746    -16.88576276
  O     16.55595735     11.56761892    -13.77554431
  H     14.09912373      8.76186668    -11.21857816
  H     14.09066584     10.89512464    -16.90652334
  O     14.28721780      4.59335189    -11.83080082
  H     14.69631403      7.53367559    -10.49940698
  H     14.57379700      4.41158760    -17.63706508
  O     11.58257416      8.63248702    -18.15925021
  H     17.89178239     12.07379618    -19.25905398
  H     13.66752569      5.58991937    -17.19391657
  O     14.72619482      9.26436040    -16.39263297
  H     16.45409394     11.52851878    -19.10385579
  H     16.37190896      7.10192377    -12.38486826
  O     15.34023960      7.63808177    -18.59917841
  H     14.38542182     10.64605935    -19.97230560
  H     15.63605462      8.28891640    -13.05418624
  O     14.61114139      9.77242115    -12.72272505
  H     14.30885698     11.70571451    -18.86243833
  H     12.60273847      6.93343124    -11.01971012
  O     17.27983078      9.19795121    -15.16107596
  H     17.07842960     12.17064555    -13.25316176
  H     11.31092965      6.17490258    -10.63199578
  O     16.13713120      6.25534482    -10.73847504
  H     16.41315187     11.99809784    -14.63816528
  H     14.78551349      5.45699770    -15.39575423
  O     13.68083963     11.74976283    -17.11532155
  H     13.43125995      4.98677514    -11.62009144
  H     15.26682627      6.27049730    -14.14746592
  O     14.59460122      5.28934576    -17.26458947
  H     14.41647191      4.73517344    -12.77894914
  H     17.65099668      9.75552676    -18.23288343
  O     16.22339822      7.53921021    -13.23226602
  H     11.39532396      9.43748354    -17.66526784
  H     17.73804129      8.89715197    -16.96176445
  O     11.98254028      6.23878436    -11.30547440
  H     12.18171372      8.87040179    -18.87646116
  H     12.35699954      8.35840334    -14.41209757
  O     14.66308615      5.57638906    -14.44716865
  H     15.60138996      9.29644553    -15.98714091
  H     13.35187273      9.18297957    -15.28141696
  O     17.69859659      8.84080345    -17.92578855
  H     14.80448098      8.69864796    -17.16998332
  H     11.89261194      6.46572382    -13.15828182
  O     12.63934613      9.25817098    -14.62613501
  H     15.21747090      6.77956766    -18.17615794
  H     12.98499965      6.23795515    -14.22641763
  O     12.10094890      6.61140102    -14.08874400
  H     16.24171402      7.95582407    -18.43117391
  H     16.69522263     12.27999567    -17.00574638
  O     16.18945494     12.57767044    -16.23999260
  H     13.86525402      9.71476085    -13.33635914
  H     15.26031461     12.50167109    -16.49741068
          69
 Energy    -249.65412824473742     
  O     -2.78606247     -2.26122162      0.60684793
  H     -1.95489553     -2.54329591      0.20578185
  H     -2.30770866      4.52753801     -1.65998180
  O     -0.87222676      4.37305343     -2.92812234
  H     -2.53180558     -1.72994809      1.37355569
  H     -1.31317696     -0.21683989     -2.72996042
  O     -3.34496709      1.66353126     -1.03967496
  H     -0.86087235      4.88672890     -3.73159885
  H     -2.49303417     -1.12962976     -2.34221254
  O      1.58913557      0.69866580      3.43212327
  H     -0.07417334      4.62012449     -2.42765892
  H     -1.79948859      2.04803150      4.60408857
  O      3.15265115      3.38709775     -0.00670607
  H     -2.50351561      1.62348617     -1.51615810
  H     -2.69551184      2.48271900      3.43032315
  O     -0.43435988      3.11746872      1.05320412
  H     -3.76589258      0.80424409     -1.16629596
  H      0.31681914      6.03196806      1.69140565
  O     -0.68220353      0.50513619      4.91583684
  H      1.83443176      1.59247459      3.16259651
  H     -1.04031704      6.18615228      0.94457975
  O     -4.15822231     -1.00257610     -1.36542517
  H      1.46187321      0.18432410      2.62473324
  H     -2.46956506      0.96781806      1.92819012
  O     -1.64333748     -0.53969196      2.48600010
  H      4.10486514      3.38954600      0.04829073
  H     -3.09984423      1.78031906      0.76296066
  O      0.74484011     -0.64138539      1.03310524
  H      2.82011816      3.41299108      0.90590690
  H     -1.92837435      4.45918346      4.03850193
  O      1.89366223      3.36532102      2.47496546
  H     -0.50507635      4.06651122      0.90302647
  H     -2.19874410      5.55923970      2.98156383
  O     -2.99873301      4.47289696     -0.98909267
  H     -1.29228119      2.77393822      1.33175430
  H     -0.93205304      2.51198461     -2.79356903
  O     -1.56556354     -1.14173778     -2.60876266
  H     -0.49685599      0.12795157      5.77166991
  H     -0.16454498      1.50954629     -1.90698906
  O     -2.37067957      2.76127558      4.29742782
  H      0.17282533      0.60016685      4.45957145
  H      1.22568821      6.51130260      4.07086793
  O     -0.10686672      5.96566703      0.82631307
  H     -3.74283601     -1.46618336     -0.61586228
  H      0.00915877      5.64296282      3.66730677
  O     -2.80543225      1.84191272      1.68050431
  H     -4.97750214     -1.45411068     -1.54836089
  H     -2.98767607      5.47766085      0.43466298
  O     -1.67069831      5.35131572      3.75938008
  H     -1.42256096     -0.30626252      3.39579939
  H     -3.57767622      6.70393948      1.16315234
  O     -0.93047888      1.59473775     -2.49308954
  H     -0.80925240     -0.55906194      1.99377714
  H      1.90723131      2.04648268     -0.57445696
  O      0.94766539      5.82669069      3.46918854
  H      0.51142746     -1.39536796      0.47658777
  H      0.45560675      2.11853385     -0.06521438
  O     -2.86872886      6.06717309      1.20084594
  H      0.90113166      0.09827191      0.42896367
  H     -0.66130844     -2.08980305     -1.44901413
  O      1.06711973      1.57563194     -0.59193875
  H      1.75209711      4.19204541      2.95193459
  H      0.10944761     -3.39027510     -1.12180274
  O     -0.25762016     -2.60400054     -0.72660324
  H      1.03980150      3.17335084      2.05422304
  H      0.82476202      5.51878429     -0.65632186
  O      1.25516810      5.08793349     -1.41014433
  H     -3.29787271      3.55514203     -0.99781054
  H      1.96860995      4.55983537     -1.03763866
          69
 Energy    -249.65401076608441     
  O     14.95614110     10.05534303     -9.18060324
  H     15.40149148     10.87785232     -9.41782516
  H     11.29538508     10.53688845    -11.05624808
  O     12.90497274     11.93764835    -14.84584713
  H     15.47188438      9.33839371     -9.58047898
  H     12.03938124      5.36464744    -10.74891096
  O     10.83504241     10.44985311    -13.93624157
  H     12.14246727     11.41839281    -14.53336597
  H     13.01414483      6.39444878    -11.35829356
  O     14.77574215     11.82074511    -12.79601250
  H     12.56532891     12.57374872    -15.46972600
  H     11.38232628      8.02661442     -9.26345215
  O     16.54573917      9.90105533    -13.69474716
  H     10.90166245      9.51658427    -14.18518709
  H     10.39507517      8.75054736    -10.22176683
  O     16.17576056     12.28298205    -10.44412263
  H     10.51349617     10.46238527    -13.02847480
  H     14.08652822     10.58898948    -15.60540403
  O     16.36780156      7.95120244    -10.36666837
  H     15.39090057     11.15123023    -13.13380797
  H     15.45072134      9.95336483    -15.27664829
  O     13.05726961      4.37196270    -13.50649488
  H     14.15594436     12.01787188    -13.51022010
  H     15.06671493      5.20376375     -8.49513060
  O     17.96955856     10.17070301    -11.32530944
  H     17.20842295     10.05573640    -13.00724709
  H     14.21374172      5.71300221     -9.68165675
  O     13.06578607      7.90628346    -12.29206343
  H     16.24451451      8.99127917    -13.55672742
  H     10.24542980      6.39151234    -10.44175265
  O     10.29513628      5.24766533    -13.57151845
  H     16.39545186     13.19907855    -10.29402796
  H      9.58346612      5.02020162    -10.16923205
  O     10.32586307     10.45296641    -11.09819283
  H     15.67699361     12.24863957    -11.27732697
  H     14.40190991      4.96299019    -14.45938674
  O     12.97336509      5.52574488    -10.92484773
  H     16.20119737      7.70702004    -11.28862912
  H     15.60334528      4.71230037    -15.40287993
  O     10.57050820      7.91336442     -9.77939796
  H     15.99033371      7.24142131     -9.83258891
  H     13.90548462      8.27293074    -16.06314372
  O     14.69575176      9.89200369    -15.87443932
  H     13.17290066      4.62939238    -12.58251821
  H     14.06082939      6.75588976    -15.78186939
  O     14.84301989      5.98649543     -8.99211599
  H     12.13700603      4.57801844    -13.70468267
  H     10.87718749      6.91925109    -14.23502935
  O     10.13940540      5.48488325    -10.78873197
  H     17.51502867     10.92387411    -10.93006718
  H     11.99946299      7.61556165    -15.08155109
  O     15.14204810      5.39428459    -14.92243587
  H     17.60681905      9.38732273    -10.89227161
  H     13.56656692      7.37406498     -8.46439503
  O     13.42614777      7.43070947    -16.04360511
  H     13.00277095      8.76705345    -11.86277920
  H     13.59963431      8.89970844     -8.45530250
  O     11.29998693      7.76354908    -14.42221649
  H     12.45027415      7.89695093    -13.03728835
  H     14.72388911      7.58967771    -12.81712533
  O     12.99628557      8.14875475     -8.39968624
  H      9.51936690      4.79910567    -13.90034972
  H     15.63711338      6.67256345    -13.66660637
  O     15.65047870      7.37489632    -13.00632463
  H     10.18187214      5.33551466    -12.61171731
  H     13.61233591     10.28769562    -10.36177839
  O     13.03760003     10.45309864    -11.12059407
  H      9.96554064     11.19937050    -10.62488260
  H     13.56543342     10.94857673    -11.75996867
          69
 Energy    -249.65397575435674     
  O     -4.16635540      0.90868445      0.54807698
  H     -4.17805653      0.55787105      1.45592548
  H      2.31878339     -1.48104270      3.17779741
  O     -3.37073223     -2.12576407      7.00586978
  H     -4.62551443      1.74411361      0.57123598
  H     -1.13724290     -1.05538378      0.97302308
  O     -1.43761034      0.20578892      3.85679995
  H     -2.52664175     -2.00801105      6.53824600
  H     -1.17011188     -0.98438722      2.52154238
  O     -4.03956124     -0.21996745      3.01687860
  H     -3.20148661     -1.94278041      7.92655601
  H     -1.72152961     -3.12336103      1.54774456
  O      1.54378904     -2.45729875      5.87596892
  H     -1.23678349     -0.47091506      4.52105354
  H     -3.12241351     -3.74044407      1.51115938
  O     -3.81715514     -4.57300635      5.57337891
  H     -0.61981054      0.65180010      3.60117535
  H      1.80530287     -2.71497175      1.09818175
  O     -1.10031539     -2.00251651      5.47817276
  H     -3.16092279      0.01083919      3.34814519
  H      0.65078379     -2.32255752      2.02195532
  O     -5.98668955     -3.88172933      4.11327145
  H     -4.57869421     -0.46990870      3.78198773
  H     -4.37469192     -1.94193245      2.28113537
  O     -1.66416474      0.03694553     -0.45165716
  H      1.60025417     -3.30042608      5.41243005
  H     -5.20219180     -3.21612797      2.57630235
  O      1.36496659     -4.67573030      3.98019214
  H      1.97059426     -1.81223778      5.29088485
  H      0.83946399     -2.75855306     -0.84918885
  O     -0.72988080     -3.53726999     -0.98957084
  H     -3.68944482     -3.84322421      6.19183216
  H      2.24320587     -2.54939173     -1.46222840
  O      2.50446351     -0.81995272      3.85748974
  H     -2.98517761     -4.66153851      5.08896166
  H      0.99347391      0.98680089      1.82183534
  O     -0.97241939     -1.56414477      1.77692612
  H     -1.29508190     -2.78247136      4.94060665
  H      1.24163026      2.19866587      2.74494971
  O     -2.18681893     -3.96871085      1.43121440
  H     -0.17354689     -2.08449624      5.74955636
  H      1.37407972     -0.43736713     -0.14820714
  O      1.51871830     -2.75370895      2.01793726
  H     -5.22893952     -4.21528045      4.62733871
  H      0.12687800      0.45547570     -0.18413923
  O     -4.66782341     -2.78114694      1.90030895
  H     -6.71114335     -4.48136248      4.26784684
  H     -2.93837098     -1.88059477     -3.16056442
  O      1.69090209     -2.30130953     -0.72575879
  H     -1.92367146     -0.57516334     -1.15213677
  H     -3.48611589     -1.88669966     -1.71371488
  O      0.92225874      1.29952331      2.74070120
  H     -2.47712497      0.44301324     -0.12495139
  H     -4.74859068     -1.48322003      5.85156307
  O      1.03780880      0.41882692      0.14015746
  H      1.47818619     -4.04740629      3.24645029
  H     -5.73981845     -2.10572474      4.85120073
  O     -2.67018192     -1.90476986     -2.24606180
  H      1.97299967     -5.39381854      3.82381105
  H     -1.70512944     -4.38503901      3.15134416
  O     -5.37786117     -1.26347250      5.15273131
  H     -1.20165444     -3.89290196     -0.22623975
  H     -0.50238823     -4.65077166      4.09984321
  O     -1.43845507     -4.41571387      4.08035708
  H     -1.39245537     -3.05820354     -1.50332037
  H     -4.75259540     -0.70394135     -0.33575344
  O     -4.82484571     -1.61670001     -0.64104190
  H      2.04914068     -0.02373460      3.56203690
  H     -4.88517761     -2.14920869      0.16364102
          69
 Energy    -249.65395987714567     
  O     -5.72429108      3.76259056     -2.68777989
  H     -5.78929995      3.32954387     -1.81929078
  H      0.60679183      2.03885167      2.42469980
  O     -1.22917303      2.55632291     -4.03311264
  H     -6.39719129      4.43869024     -2.70781955
  H     -0.76482652      2.80682176      0.88748277
  O     -5.75583589      2.34289153     -0.33276074
  H     -1.81123503      3.20494995     -3.59445512
  H     -1.40864338      3.95549673      0.02198682
  O     -3.35298908     -0.29494796      1.54903723
  H     -1.05406295      2.89214639     -4.90802741
  H      2.31693430     -1.34979111      1.50421311
  O     -0.17469444     -0.86217175     -1.01248952
  H     -4.81862917      2.08818519     -0.36256111
  H      2.60155696     -1.88328133      2.92968393
  O     -3.07684464      0.57857524     -3.26314910
  H     -6.24601019      1.52606043     -0.47937246
  H      2.59773919      1.66047889      1.17866132
  O     -4.46446058     -1.73483007     -0.58470012
  H     -2.45292443     -0.59015877      1.74382188
  H      2.36661443      0.68997606      2.34763660
  O     -2.41076814     -1.96029769     -2.32107453
  H     -3.27916333      0.31730663      0.79922122
  H     -5.85473158      1.99236925     -3.46450784
  O      0.41096081      1.75106992     -1.90132429
  H     -0.91119072     -1.27348756     -1.47987531
  H     -4.85879437      0.82783501     -3.57708273
  O     -0.60390374     -0.74813121      1.74188163
  H     -0.03937679      0.02080784     -1.38157942
  H     -2.18388923      2.26346655      2.95860580
  O      2.50356409     -1.28546828     -0.24489144
  H     -2.74901315     -0.31474828     -3.09714460
  H     -3.37498577      1.34474563      2.65647165
  O     -0.35837797      1.97282820      2.40327838
  H     -2.37096198      1.11920168     -3.63712110
  H     -7.61618839     -0.50867585     -1.43132130
  O     -0.96442473      3.10028789     -0.01346247
  H     -5.26801912     -1.25040195     -0.80764118
  H     -6.46662707      0.21919894     -2.16970864
  O      2.09565128     -1.23621572      2.44597573
  H     -4.16441438     -1.38308881      0.26475279
  H     -2.42676634      2.06514591     -0.42463291
  O      2.36237590      1.62687084      2.11333614
  H     -3.15525954     -1.92200098     -1.69198080
  H     -3.12680519      1.18129283     -1.51063178
  O     -5.80429446      1.03605675     -3.57963253
  H     -2.42871854     -2.82717090     -2.71739589
  H     -3.27433991      4.96630084      0.41223518
  O     -3.14862004      2.23527722      2.95049318
  H     -0.02157681      2.27412774     -1.20618133
  H     -2.47215611      6.25820253      0.12190586
  O     -6.74365800     -0.14349852     -1.30920006
  H     -0.01495083      2.00433246     -2.72799352
  H     -3.87286537      4.10524095     -2.84221226
  O     -3.16734500      1.46933963     -0.59078789
  H      0.23912939     -1.00920949      2.13173646
  H     -2.77555638      4.69685997     -1.93976925
  O     -2.58634251      5.35496125     -0.15980817
  H     -0.48491205     -0.79704951      0.78189778
  H     -5.07580445      3.62437859      0.93031366
  O     -2.92203510      4.26269807     -2.78872248
  H      2.81834969     -0.39764683     -0.45794598
  H     -3.99047627      3.53346258      2.02289724
  O     -4.40924158      4.14262987      1.39493623
  H      1.60288610     -1.32223025     -0.59546324
  H      3.56887539      2.02162093     -1.19948737
  O      2.91458074      1.49643055     -0.74501517
  H     -0.53780299      1.04088757      2.21366932
  H      2.07617683      1.62738598     -1.21700656
          69
 Energy    -249.65355295529827     
  O      1.60779402      1.57995399      2.07093451
  H      1.56520687      0.61559666      2.20966341
  H     -5.82447092      3.53325221      3.52176967
  O     -5.01669572     -0.63813140     -2.09840513
  H      2.53155976      1.81138010      2.02825793
  H     -0.37563685     -2.21926931      4.96696505
  O      1.34444955     -1.05602493      2.44292891
  H     -4.61845316      0.21602464     -1.88846442
  H      0.11675181     -0.82069873      5.39142913
  O     -6.40471429     -2.12210914     -0.28992574
  H     -4.28772100     -1.21054770     -2.36875788
  H     -2.60029633      3.83280955      1.71855684
  O     -2.79191989     -2.41945280     -2.45111235
  H      1.12228706     -1.31657094      3.34819547
  H     -1.97376253      3.48639562      3.08692243
  O     -1.44196947     -0.22095674     -1.33321759
  H      0.61124826     -1.36131803      1.89321811
  H     -4.94124963      1.67894534      1.99050844
  O     -2.16794167     -3.03675023      4.93056525
  H     -5.97244363     -1.53437745     -0.93536338
  H     -4.90853040      0.15648948      1.63761631
  O     -0.51183125      2.46443921      3.67308157
  H     -7.26783558     -2.32600048     -0.63989654
  H     -2.94405178      0.78405692      2.16428016
  O     -3.58332140      1.58434484     -1.08236879
  H     -3.15032388     -2.93073348     -1.70372002
  H     -1.62242282      1.22542042      2.88029254
  O     -5.60621773      0.17127571      4.59931481
  H     -2.58748220     -3.04707827     -3.13908651
  H     -4.88144245     -3.30620354     -0.33798514
  O     -2.99979709     -0.42729117      5.10063110
  H     -1.77942498     -0.98056167     -1.82468011
  H     -3.65882155     -3.64206993      0.53521174
  O     -5.21842797      2.80597259      3.40624643
  H     -2.18069839      0.40159564     -1.26439412
  H     -0.32350742      1.18576672     -0.61441954
  O      0.40056910     -1.64760565      4.98541227
  H     -2.45677714     -3.58067046      5.65971932
  H      0.54095885      1.81455386      0.51823228
  O     -2.79322621      3.77180201      2.66260663
  H     -2.53764553     -2.14945515      5.07808280
  H     -1.60474109      0.43696834      5.82334580
  O     -4.59250453      1.02969840      1.36676319
  H      0.28594677      2.23917937      3.17470006
  H     -0.74099103      1.07907126      6.93348911
  O     -2.16852852      0.46590074      2.64336962
  H     -0.47315964      1.99655812      4.51714474
  H     -1.31192269      3.20786121     -0.13196338
  O     -3.99799929     -3.69345556     -0.36751579
  H     -3.15035688      2.43215959     -0.93417191
  H     -1.81749325      4.60065230     -0.57418925
  O     -0.06452320      2.01953969     -0.20331310
  H     -4.00141720      1.36440336     -0.23382758
  H     -1.15614715     -1.14374145      0.21299360
  O     -0.74065715      0.84227519      6.00900341
  H     -5.54955125      1.07270645      4.25899465
  H     -1.39854803     -0.79423547      1.69627900
  O     -2.08039439      3.80790728     -0.11344529
  H     -5.69453453     -0.41157114      3.83265473
  H     -2.75951431     -3.21670203      3.12146137
  O     -1.07775705     -1.49702698      1.10775841
  H     -2.69195985     -0.17925617      4.21428950
  H     -2.32811326     -2.57338732      1.78445639
  O     -3.05678932     -3.04103294      2.22205707
  H     -3.94745232     -0.23537746      5.11406594
  H     -4.59702414     -2.00808974      2.28547275
  O     -5.39044349     -1.45644249      2.23546244
  H     -4.34685731      3.19875012      3.21631421
  H     -5.86381536     -1.72147881      1.43547583
          69
 Energy    -249.65320841320607     
  O     -1.54699362      4.27517845      5.53126207
  H     -1.22927020      4.30026107      4.61832899
  H     -3.26762171      4.10357993      5.77312249
  O      0.87837548      1.22356493      0.16703157
  H     -1.07988056      3.54112147      5.94842307
  H     -1.86189003      4.03021972      1.38737885
  O     -1.26413627     -0.79526503      3.00259761
  H      0.24573911      1.70463588     -0.38019540
  H     -3.24449502      3.47031768      0.95361426
  O     -3.17641838     -2.35318318     -2.10554849
  H      0.57962808      0.30528723      0.19141082
  H     -5.33896609      2.89747493      4.73420228
  O     -0.38879735     -1.28070984      0.43763737
  H     -1.56260996      0.12727306      3.03948596
  H     -5.72745236      1.42367443      4.46521467
  O     -5.13466307     -0.33458895      5.16966991
  H     -2.07921163     -1.30621158      3.08344842
  H      0.15130431      3.43372590      2.74600421
  O     -0.45365973      1.81703135      6.59614070
  H     -2.54371939     -2.91883116     -1.64593778
  H     -1.29331178      3.00146721      3.07117032
  O     -2.37788937      0.07241720     -0.94266819
  H     -2.90399078     -1.44749406     -1.90116613
  H     -4.71707411      1.46873320      1.28358166
  O     -4.60606014     -0.25715440      0.64710182
  H     -0.63080290     -2.18292366      0.19569561
  H     -5.12623393      2.40572565      2.46497282
  O     -3.79179204     -3.81487225      1.18230423
  H     -0.63449703     -1.15684829      1.36710502
  H     -4.15301024     -1.13043295      2.20461072
  O     -1.16764119      2.55923001     -1.32341931
  H     -4.39188120      0.12817250      5.59425654
  H     -4.38129675     -1.28722610      3.73018615
  O     -4.18350166      3.83940640      5.97594031
  H     -5.63234510     -0.75388289      5.86801136
  H      1.42043958      1.93971542      1.63053000
  O     -2.44390479      3.90249576      0.62716191
  H      0.11319582      1.71365834      7.35561983
  H      2.57780465      2.63682296      2.38202865
  O     -5.81705379      2.32142238      4.12482780
  H     -0.00648784      1.37428623      5.85237213
  H      1.09449104      1.15714545      3.81556030
  O     -0.73617480      3.77856357      2.89951950
  H     -1.67338143     -0.38409867     -0.45972173
  H      0.15483463     -0.05394741      4.03181964
  O     -4.54121557      2.32474029      1.69698911
  H     -2.03644973      0.94321905     -1.17682427
  H     -2.21870707      1.34856497      6.38242531
  O     -3.91974824     -1.66963240      2.97539324
  H     -5.09831156     -0.96019419      0.20682865
  H     -3.55019907      2.13626733      6.22372297
  O      1.67363751      2.34990093      2.47757355
  H     -3.82171816     -0.09454162      0.10032585
  H     -6.25833734     -2.81819134     -1.27847745
  O      0.70883573      0.58781037      4.49373016
  H     -4.48490367     -3.52451280      0.57641468
  H     -4.74177251     -2.51109484     -1.32300594
  O     -3.14487710      1.26315034      6.12122343
  H     -3.83416149     -3.20603631      1.93205214
  H     -2.27711071     -3.84829074      0.30429815
  O     -5.51957464     -2.55406776     -0.73739027
  H     -1.07172633      3.12034914     -2.08779784
  H     -1.11723696     -4.66258191     -0.31558353
  O     -1.48525782     -3.78476528     -0.25950851
  H     -1.63246253      3.08266410     -0.64543395
  H     -3.17627774      1.86357630      2.79209856
  O     -2.41713840      1.65664413      3.35410821
  H     -4.54800895      4.52525077      6.52904186
  H     -2.72806763      1.56649182      4.26132514
          69
 Energy    -249.65292407910630     
  O     15.99908630      9.96898713    -10.83637584
  H     15.69373184     10.76719802    -10.39043821
  H     12.71890067      7.56665226    -10.67503823
  O     14.77072962      4.50958647     -8.16257709
  H     15.82713824      9.22757086    -10.23360009
  H     12.66323684      7.95099548     -7.96817645
  O     15.17818991     12.07990782     -9.22227516
  H     14.00221460      4.39169672     -8.73390337
  H     13.40365450      7.53343740     -6.68074303
  O     12.57041174      4.47481688     -9.95423229
  H     15.51016442      4.70451581     -8.75379371
  H     19.10443320      5.98482117    -12.03320973
  O     15.54606504      8.38918003    -13.04607547
  H     14.72909855     12.91343136     -9.33023428
  H     19.66964462      5.10547767    -13.17068023
  O     18.69342236      9.41722335    -11.20328100
  H     14.72236120     11.60506879     -8.50194677
  H     16.36605408      5.36700949    -10.95596998
  O     19.78516737     10.30599662     -8.76584261
  H     12.87878729      4.55171509    -10.87487997
  H     17.54289030      5.79381056    -10.05643746
  O     19.06737663      6.76242686    -10.40209375
  H     11.81739842      3.88997547     -9.96433025
  H     16.57123211      9.45213181     -5.95155483
  O     13.40900945      4.98954546    -12.47402180
  H     16.39888574      8.42379160    -13.50355864
  H     16.70106511     10.29459315     -4.65934571
  O     14.12868617     10.74178294     -7.14514679
  H     15.62783964      9.00324392    -12.30118245
  H     18.50563827      8.84462827    -13.00468119
  O     12.89955048      7.80828036    -12.56990964
  H     19.17803914      9.77779482    -10.45024266
  H     18.54919194      7.47532293    -13.69825528
  O     12.74701117      7.29439072     -9.74975572
  H     17.77142307      9.68871928    -11.08552957
  H     14.51084718      7.67238548     -9.33883258
  O     12.89960858      8.25122642     -7.08146833
  H     20.57352600     10.80582068     -8.57112313
  H     15.88520760      6.98658574     -9.55538961
  O     18.95224966      5.69324360    -12.94796572
  H     19.03294957     10.82788538     -8.43297052
  H     17.30733379     11.29653968     -6.99442700
  O     16.65028934      5.42392940    -10.03374911
  H     18.89965875      7.64844659    -10.75458002
  H     16.87625533     11.89463801     -8.34706842
  O     16.50630567     10.35339110     -5.59067240
  H     19.24887735      6.90010457     -9.46065991
  H     14.63570984      5.50231740     -6.75245880
  O     18.19660606      8.36788618    -13.78804505
  H     14.35630066      5.00852228    -12.66411922
  H     14.32938437      5.58183720     -5.23955724
  O     15.46470906      7.81535223     -9.29017388
  H     13.10529542      5.89470436    -12.61745132
  H     15.92617699      6.56415288    -12.84001449
  O     17.64949509     11.65645551     -7.82295146
  H     14.83159742     10.67006194     -6.48963328
  H     17.06252736      5.52017334    -12.96587108
  O     14.56349291      6.11244991     -5.99607237
  H     13.64210717      9.90580257     -7.11427071
  H     18.39120583      7.66806220     -7.36399797
  O     16.12499024      5.62049221    -12.75942671
  H     13.80948274      8.04628710    -12.81471896
  H     19.46357858      8.55222154     -8.03782774
  O     19.24069746      7.63768637     -7.82095706
  H     12.32471130      8.31975583    -13.13432724
  H     16.20865964      8.00637584     -7.64788586
  O     16.58102083      7.88732774     -6.76126811
  H     12.61708980      6.33676766     -9.74237507
  H     16.00582241      7.23780479     -6.33749198
          69
 Energy    -249.65265066161567     
  O     16.58724128      8.89602656    -15.05706249
  H     16.19161167      8.15364309    -15.50578624
  H     17.57373717     11.22791422    -16.72426380
  O     17.95472517     15.36878744    -16.42197270
  H     17.12467278      9.36687506    -15.71922422
  H     18.80760464     10.28103432     -9.63076378
  O     20.75131761     11.22714243    -16.61044986
  H     17.70515038     15.98135572    -17.10892041
  H     18.42337364     11.76062535     -9.43585631
  O     19.04735226     13.32840970    -10.17199803
  H     18.76908452     14.92483791    -16.72101043
  H     21.29381182     16.82162556    -12.12133590
  O     15.02453843     12.52725848    -12.06189243
  H     20.99208910     11.41198658    -15.68771876
  H     19.78356496     16.71881819    -12.43705883
  O     19.89524056      9.31010080    -10.95828059
  H     21.51709774     10.82568751    -17.01521338
  H     20.85969299     10.90870535    -11.12488834
  O     15.87722052     10.20551425    -10.58382804
  H     18.39773145     13.61624233    -10.82933429
  H     20.39091427     12.36788725    -10.94018259
  O     21.25827749     14.76523227    -14.46137122
  H     19.46619843     14.11949331     -9.81224614
  H     16.98025840      9.73885757    -11.99006103
  O     20.47446090     15.60812821     -9.42081809
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  O     21.23445236     12.05456503    -14.02538863
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  H     20.37716471     13.12160655    -17.01583346
  O     14.93837299     11.30483545    -14.57849336
  H     20.17136010      8.40054998    -10.87891127
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  H     22.93064452     15.32287241    -11.95690863
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  H     23.84745231     16.37458432    -12.62995906
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  H     16.62070771     10.46729842    -10.01185911
  H     18.39253007     15.77484532    -14.61665421
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  H     18.18653932     15.24676004    -13.16985027
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  H     21.93693006     15.21739815    -13.94573525
  H     21.97155447     14.61680378    -10.11244249
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  H     20.42229203     16.19756670     -8.67357748
  H     22.27233820     13.29495019    -10.85034896
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  H     20.39195240     16.15731425    -10.22131105
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  H     21.31667583     13.00904874    -14.17408543
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  H     21.31548930     11.91330008    -13.07255146
  H     17.46413864     12.52384957    -15.17228010
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  H     15.45427402     11.90591794    -15.13380050
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  O     17.33429586     13.96422263    -12.23243200
  H     18.96021871     10.56866704    -16.79456898
  H     17.77464201     13.29102491    -12.77470570
          69
 Energy    -249.65228296673638     
  O     19.88282952      9.09652662     -7.01329094
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  H     21.63468573      6.96783023     -8.43722474
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  H     21.77676733      4.51263178     -7.68255776
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  H     12.57267398      7.52804961     -8.86618625
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  H     18.80770688     11.23423420    -11.36258705
  O     12.81783605      7.66441122     -7.93342893
  H     19.27156110      7.30354200     -6.61340471
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  H     18.47000845      9.60402789     -8.05645182
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  H     12.92461615      3.61214432    -10.76052130
          69
 Energy    -249.65205941690505     
  O      0.62417620      4.63355369      3.59518484
  H      0.38346672      3.74136846      3.87796179
  H      4.04168710      4.83415127      2.58738959
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  H      1.56562518      4.59491554      3.39162170
  H     -0.24153147      4.80133297      1.96494683
  O     -0.03268502      1.84243049      3.84073803
  H      0.36463494     -0.31051629     -3.54800295
  H     -1.10863257      3.76280583      1.25062664
  O      1.52283451      4.73440113     -2.69982307
  H     -0.32817965     -0.12684412     -4.92025817
  H      1.07136802      4.52620138      0.38971694
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  H     -0.70037890      1.97729940      3.15146844
  H      1.91993686      4.71128389     -0.89975718
  O      2.48617500      1.52881978      2.67328018
  H     -0.19149474      0.95890470      4.19317708
  H      2.15862653     -0.40133455      2.63769325
  O     -1.78197547      1.46559057     -2.17734237
  H      1.68688296      5.37476494     -3.38688317
  H      1.40771846     -1.48675256      1.81094686
  O     -2.69265409     -1.34602098      2.79768572
  H      1.69479193      3.85667011     -3.08585210
  H     -2.58844528     -3.43805736      0.00200783
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  H     -4.99167694      0.75458822      2.13178555
  H     -2.55120695     -1.89840608     -0.14500127
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  H     -3.67329407     -0.06017302      2.18439853
  H     -1.06883696      4.38733042     -0.79462978
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  H     -0.28252224      4.37536463     -2.11609323
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  H      1.21259362      1.67912516     -3.93364070
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  H     -1.63973356      2.42120716     -2.09592811
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  H     -1.28401117      1.14302639     -2.93915496
  H     -3.69773467      0.00784099     -0.02143648
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  H     -2.43179693     -1.89633744      2.04874364
  H     -2.87807219      0.22164828     -1.31701188
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  H     -1.91025846     -1.22474315      3.34874878
  H      1.09117162     -1.56592708     -1.59995645
  O     -1.11290159      4.09603379     -1.71328323
  H      0.75837427      1.28370630     -0.16954078
  H      2.18206122     -0.80990438     -2.39053618
  O      1.94605041      2.25594285     -3.68737019
  H     -0.64671157      1.09533164     -0.84270032
  H      4.50357860      0.29938042     -2.05431694
  O     -3.30145866     -0.45335208     -0.77097928
  H      2.55860834      1.58371451      0.88716447
  H      3.25892012      0.91918935     -1.37342480
  O      1.34391396     -1.27941009     -2.48657034
  H      2.37810954      2.74946261     -0.11740670
  H     -0.33484227     -2.21337710      0.24019797
  O      3.57306498      0.46756437     -2.17658684
  H      0.38619241     -1.11499727      3.81284203
  H      0.25296912     -0.79398361      0.14113539
  O      0.50035345     -1.73161433      0.18942107
  H     -0.21462235     -1.40263862      5.20905137
  H     -2.65084631      1.75338247      1.72909618
  O     -1.77645104      2.15817573      1.72412043
  H      2.91740375      4.44208290      1.60349717
  H     -1.21899888      1.64196145      1.12081024
          69
 Energy    -249.65184781369859     
  O     19.53833598     10.56795437    -13.09767401
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  H     14.86700095      9.29394337    -12.74162263
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  O     16.42962395      6.06767394     -9.74132262
  H     20.65561894      7.53178600    -14.30599874
  H     17.57556481      7.68861528    -12.45789280
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  H     14.68248211      7.37675921    -14.19802395
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  H     16.68081607      6.93949997    -10.08502110
  H     19.38816325      4.16483389     -9.58690535
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  H     13.40524768      8.56796318     -9.71264300
  H     19.43569236      5.42321788    -10.48018048
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  H     12.64357213      9.90120191     -9.51978947
  H     17.84934335      8.02954270    -14.96539870
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  O     18.00164796      8.15023800    -15.91650252
  H     18.01792621      3.84364002    -11.67566900
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  H     17.06016791      2.91716442    -15.41424075
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  H     17.41239985      3.62081761    -14.08383577
  H     15.58075993     10.01753495    -17.00486724
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  H     19.65744514      8.90367444    -15.69001616
  H     16.55767376      9.14150303    -16.18489379
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  H     21.04639918      9.40286301    -16.14669687
  H     11.49618051      4.96125993    -10.92845199
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  H     18.46366105      4.94957695    -15.85812541
  H     12.25010600      6.17621247    -11.52172677
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  H     18.01772637      8.90850608    -10.68306870
  O     17.18829857      8.43950311    -10.83861990
  H     14.45560319      9.84662557    -11.35219817
  H     16.52820587      9.05257329    -11.19031966
          69
 Energy    -249.65132369644496     
  O     16.15561334      8.26521641    -15.94131953
  H     16.90338467      8.22184219    -15.32664926
  H     16.63611196      9.24883688    -17.29202769
  O     14.49365567     11.34472844    -14.73614630
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  H     18.21496167     16.13119261    -13.53320566
  O     20.44406504     10.46183486    -10.75196684
  H     14.17910744     10.50642755    -14.38265269
  H     18.62938164     17.55758675    -13.11341182
  O     20.44129124     12.73366976    -12.24104975
  H     15.45034118     11.33683449    -14.57488788
  H     20.07012713     11.75537070    -15.50741435
  O     17.58267037     10.43948518    -10.72413512
  H     20.51339528     11.32900581    -11.18943234
  H     21.29164999     12.62477004    -15.10680727
  O     17.99519642      8.49156688    -13.89900546
  H     21.10792316     10.44692524    -10.06729631
  H     16.61904097      9.14288202    -11.31632661
  O     14.82486804     11.72407833    -17.50190893
  H     20.51519088     12.38959322    -13.14275158
  H     16.13815820      7.70728212    -11.01278603
  O     17.78440753     14.33453628    -16.54974661
  H     20.79185711     13.63528500    -12.25721236
  H     14.99727593     13.43512095    -17.55377541
  O     21.32465537     15.25413161    -12.74647087
  H     17.44546575     11.33733377    -11.05404554
  H     14.64677283     14.81815229    -18.15621726
  O     18.50956610     11.65890655    -16.50737303
  H     18.53867243     10.34277029    -10.63410273
  H     19.21466926     15.44135679    -16.35541009
  O     14.23790712      8.68827781    -13.74582014
  H     18.92574871      8.68959740    -13.71368341
  H     19.67492115     16.38795219    -15.23074558
  O     16.92624538      9.85267065    -17.99958992
  H     17.54281173      8.29436670    -13.07153281
  H     17.36134293     14.64922906    -14.78046149
  O     18.97121109     16.73662682    -13.45884844
  H     14.60926689     11.52004617    -16.58114692
  H     16.03884913     14.73931819    -14.00409384
  O     20.78241532     11.84145758    -14.85958186
  H     15.51066590     11.09949679    -17.76383470
  H     21.31763454     14.90780999    -15.71038999
  O     16.17317196      8.36635436    -11.70149251
  H     18.05819508     13.41151101    -16.63987129
  H     22.81239083     14.55133475    -15.89092283
  O     15.13139151     14.39563958    -17.45270676
  H     16.90453306     14.41827769    -16.93884169
  H     20.59678116      9.64758827    -12.48954745
  O     19.97310575     15.95291732    -16.03825748
  H     21.68792521     15.02061130    -13.61020143
  H     20.74839816     10.13078148    -13.95273691
  O     16.99388570     14.87122020    -13.91321538
  H     20.56119509     15.81938867    -12.92054611
  H     17.47386734     10.25475085    -14.03022034
  O     22.02921453     14.31952744    -15.39876467
  H     18.11205560     11.05431654    -17.14428283
  H     17.38516383     11.70067060    -13.42063841
  O     20.52560548      9.36449503    -13.40908281
  H     18.01632605     11.52631844    -15.68083462
  H     14.31209561     13.24357939    -14.57319795
  O     17.18270847     11.16091030    -14.19486334
  H     14.87495557      8.59922847    -13.02025855
  H     14.55168231     14.37378945    -15.58638876
  O     14.44475837     14.19807545    -14.64319251
  H     13.49031140      8.14001185    -13.51808729
  H     17.38778150     13.63329610    -12.62154463
  O     17.68206483     12.88674281    -12.08326800
  H     17.05545943      9.31786330    -18.77823346
  H     18.64983230     12.91439182    -12.07518950
          69
 Energy    -249.65131616734638     
  O     12.12382960     10.88803523    -11.48566836
  H     12.88189163     10.47502914    -11.03901469
  H     19.02447727      9.08745133    -15.06928574
  O     16.24835381      7.38511468    -13.89800811
  H     11.43495701     10.97518811    -10.83143332
  H     14.67353076     12.79509330    -15.86541849
  O     18.36156315     11.05741902    -12.50993944
  H     15.85396945      8.27131941    -13.95369259
  H     13.46122937     13.68930434    -16.20080860
  O     16.36746164     12.48069306    -16.17319727
  H     15.78975398      6.85888638    -14.56218935
  H     15.35423408     10.48803052    -13.51147536
  O     16.40021392      9.64491940     -8.51814422
  H     18.64830023     11.56838844    -13.27560425
  H     14.12935611      9.73454259    -14.11210921
  O     14.87815265      7.14647557    -11.48142600
  H     17.44111979     11.30941580    -12.33731714
  H     19.19121366      7.67599476    -11.68508433
  O     15.72731764     11.55548641    -12.08092979
  H     16.37049272     11.58342960    -16.53402851
  H     20.14747729      6.89964197    -10.75277335
  O     13.98574723      8.30265757    -17.61831389
  H     17.21230435     12.57514722    -15.72026992
  H     13.29660355      6.52477106    -14.14425383
  O     16.78669484      6.94546087     -9.51506371
  H     16.50250661      9.95682833     -7.62308607
  H     13.41172805      6.80468327    -12.62719381
  O     16.27390191      9.71992844    -16.64783502
  H     17.22254872      9.87167922     -8.98918733
  H     19.06677941     11.34751553    -15.35610698
  O     14.42467537      6.26068634    -15.74492186
  H     15.48263597      6.92981337    -10.75652937
  H     19.76194831     12.72819878    -15.28500139
  O     18.97502019      9.66543670    -15.83966878
  H     15.41605852      7.16338680    -12.28475007
  H     18.56234446      9.29934637    -13.00560734
  O     13.71227214     12.88982825    -15.74368918
  H     15.31827492     10.94194873    -11.45647674
  H     17.89387955      7.96567119    -13.49345180
  O     15.08961830      9.82548177    -14.16058590
  H     15.05882154     12.21429747    -12.32095211
  H     18.68149641     10.52291598    -10.74445930
  O     19.34172687      7.40989855    -10.76237268
  H     13.47508391      9.03933324    -17.23358129
  H     19.03823111      9.17422156    -10.09233283
  O     12.79712273      6.81904636    -13.37385997
  H     13.70610220      8.22530684    -18.52669226
  H     12.34073822     10.01813331    -15.60887073
  O     18.99297285     12.24770901    -14.98964731
  H     17.66593329      7.00339020     -9.90973936
  H     12.99143290     11.22081340    -16.31202238
  O     18.73794345      8.38069404    -13.26127497
  H     16.65844168      7.77425663     -9.03834492
  H     14.99330231      9.72295259     -9.69975667
  O     18.69271841     10.05473820     -9.89929148
  H     15.86986822      9.81865843    -15.77026572
  H     14.49449306      8.81922871    -10.85881958
  O     12.64032281     10.33688156    -16.47298097
  H     15.63584778      9.21952197    -17.16499000
  H     13.50612814     12.93491955    -13.84533692
  O     14.39694180      9.69601000    -10.45968204
  H     14.37795698      5.42689199    -16.20755941
  H     12.92279566     12.38559146    -12.51051632
  O     13.56764358     12.99796087    -12.88351984
  H     14.25448396      6.95235732    -16.40325790
  H     12.11305161      9.92609088    -13.07266027
  O     12.31770991      9.45477964    -13.88813965
  H     18.08723570      9.55793469    -16.20880765
  H     12.36301253      8.50815429    -13.68358070
          69
 Energy    -249.65115606609783     
  O     19.46651883     11.43855529     -9.30909976
  H     19.32046946     12.28965729     -8.90502319
  H     18.89339028      8.75459275     -7.49905350
  O     18.19931905      6.29936156     -9.39437922
  H     19.08847165     10.77312455     -8.70679086
  H     17.60607537     10.10490780    -11.63650517
  O     18.90918346      3.93165463    -13.04342548
  H     18.71935613      6.37208631     -8.58645850
  H     18.81810500     10.77619665    -10.90623180
  O     20.25802466      6.28050406    -13.50523832
  H     18.69340088      6.79461933    -10.06947039
  H     21.15848819     10.81923759     -9.93844816
  O     21.66536825      7.74137020     -9.30378022
  H     19.03258289      3.01081399    -12.82777938
  H     21.97878966      9.52069077     -9.83534248
  O     16.91306783      5.09939684    -11.54217623
  H     18.15550218      4.23429464    -12.51169155
  H     19.02917410      8.61925438    -14.81622889
  O     22.86930778      7.15759150    -12.94656979
  H     19.87054615      5.40238880    -13.37784821
  H     18.54312060      7.88070912    -16.08857670
  O     19.92325857      7.15338529     -7.30612182
  H     19.73487799      6.72993900    -14.17968520
  H     14.69198273      7.00152562    -13.55184655
  O     13.61199150      7.26880124     -9.16783141
  H     22.42857313      7.23214417     -9.61427032
  H     13.41415645      6.67827501    -14.35907464
  O     23.71502955      6.38119899    -10.47566468
  H     21.01075010      7.73811319    -10.01877954
  H     15.02116471      9.38546353    -11.58047193
  O     19.64536035      7.72513061    -11.20758387
  H     15.96211595      5.04166470    -11.36645682
  H     16.20061486      8.61408673    -12.22138535
  O     18.36158330      9.51737226     -7.75618659
  H     17.34225333      5.39279626    -10.72748008
  H     16.74157244      6.47354308    -12.77433804
  O     18.55520266     10.28326307    -11.69278100
  H     22.02479957      6.77817074    -13.22311257
  H     17.18291176      7.37486887    -13.98457734
  O     21.93496362     10.37071177    -10.29259613
  H     22.76321981      8.11554244    -12.99513181
  H     22.27405952     10.15346522    -11.99921893
  O     18.56550078      7.82305856    -15.13738418
  H     20.62907350      7.35715073     -7.94581797
  H     23.16493175     10.57622917    -13.18675764
  O     13.73080493      6.87677199    -13.48156352
  H     20.34952422      6.81468077     -6.52370629
  H     16.83615720      7.47227824     -9.14882437
  O     15.98651969      9.32400044    -11.59927081
  H     14.51428956      7.59612165     -9.01451691
  H     16.15947054      8.63800672     -9.92391168
  O     16.47703574      7.20542588    -13.34924269
  H     13.17433677      7.26302797     -8.32045754
  H     13.21423727      8.40081074    -10.69697748
  O     22.45638501      9.98665529    -12.94070572
  H     24.59319374      6.01483111    -10.52114550
  H     13.25636469      8.26815185    -12.22938564
  O     16.19926826      8.19603233     -9.06318857
  H     23.47091269      6.61049293    -11.38977130
  H     20.78726037      9.94061944    -13.81237012
  O     13.26634815      8.91535833    -11.51231914
  H     19.88148285      7.26168429    -12.02178747
  H     19.35699571     10.19268939    -13.30945238
  O     19.86312788      9.91979231    -14.08842752
  H     19.32357545      8.60728044    -11.42943310
  H     13.95022152      5.86575045    -10.41805482
  O     14.20816112      5.28409443    -11.14388829
  H     17.53289697      9.16201874     -8.10115352
  H     13.89706876      5.71772188    -11.94810978
          69
 Energy    -249.65083058290520     
  O     12.58278453     12.08769426    -14.87339799
  H     13.42785333     12.55074660    -14.83164252
  H     17.35325895      5.48304903    -15.07544761
  O     15.02178223      6.57274663    -13.08076157
  H     12.23318038     12.05035254    -13.97472831
  H     15.65339941     10.80754504    -17.17271574
  O     18.07505508      9.85312328    -12.35847863
  H     15.92799182      6.67513937    -12.75054605
  H     16.90481217     10.88104412    -16.26863404
  O     17.79794553      9.58079032    -15.17591680
  H     14.42746688      6.97838799    -12.43521460
  H     14.39140434      9.16295956    -14.88229252
  O     15.48755051      9.95210027     -8.86942191
  H     17.29635158     10.41423639    -12.48924926
  H     15.14405384      8.14981927    -13.96810388
  O     13.48069483      7.97946656    -11.28613574
  H     18.23708756      9.85861285    -11.40644172
  H     11.39466926     10.55247527    -12.62273691
  O     15.72211868     11.24018760    -12.91224610
  H     18.15913102      9.75604583    -14.29937258
  H     10.59211936     11.72996790    -12.01875358
  O     15.98011831      7.23953370    -17.47729880
  H     16.88464960      9.28700017    -15.02258743
  H     17.52437897      6.84577697    -10.59642282
  O     14.76559584      7.15889040     -8.92709116
  H     15.17539367      9.04822432     -8.74238172
  H     17.75459850      7.88919013     -9.49841617
  O     18.73265868      7.68160284    -16.89385805
  H     14.87669791     10.35186316     -9.50338666
  H     12.12618012      8.41051045    -12.62872192
  O     15.45672911      5.29069781    -15.45951860
  H     13.79757862      7.60542190    -10.45352025
  H     11.94342941      8.92234790    -14.09017048
  O     18.22198997      5.80721695    -14.80809123
  H     13.61833730      8.93437415    -11.21111927
  H     17.82586557      7.98738306    -12.47992786
  O     16.23731270     11.42111651    -16.70969942
  H     15.61546939     12.00101340    -13.49560304
  H     17.99180366      6.61025415    -13.21706775
  O     15.22082887      9.00115742    -14.41366385
  H     15.48204297     10.45663158    -13.43274963
  H     17.18733911      9.93025889     -9.28305735
  O     11.46480930     11.47065629    -12.30210014
  H     15.72892404      6.56907901    -16.83023322
  H     18.64565437     10.24132560     -8.87357389
  O     17.37481435      7.01638330     -9.65605237
  H     16.93803481      7.33254552    -17.40890534
  H     15.03585055      8.64950212    -17.80996214
  O     11.54279314      8.91187313    -13.21103634
  H     15.69679809      7.02267428     -9.17960301
  H     14.30772450      9.48615466    -18.88791857
  O     17.64657321      7.04026073    -12.42097205
  H     14.58473833      6.55738844     -8.21000581
  H     13.00546936     11.11026387    -11.31135736
  O     18.11975888      9.79306723     -9.53064353
  H     19.50355630      7.96696568    -17.37677706
  H     14.52346570     11.00723635    -11.61483559
  O     14.53264116      9.46995333    -17.96122261
  H     18.48578480      8.41017207    -16.29762480
  H     15.50865256     14.05108609    -15.09021796
  O     13.83878637     10.75838682    -10.97637740
  H     15.19533560      5.68705702    -14.61137829
  H     15.58873211     12.59070990    -15.59760996
  O     15.23595835     13.16003959    -14.88964570
  H     14.98917350      4.46195485    -15.52886842
  H     13.26458673      9.46111356    -16.56399305
  O     12.84772455      9.49607901    -15.69465274
  H     18.52872433      6.35696975    -15.53914984
  H     12.70058995     10.43412546    -15.48744385
          69
 Energy    -249.65063334946825     
  O     12.90261030     13.23626050    -14.97162485
  H     12.10099116     13.72644505    -15.13603407
  H     15.14419105      7.29200626    -15.93612406
  O     17.37650400      6.55104305    -13.90066275
  H     12.85561484     12.43148985    -15.51371861
  H     18.07029502     10.86668731    -14.73025208
  O     18.61692391     10.66851453    -11.42390236
  H     16.54027832      6.10142333    -13.73002975
  H     16.75218342     10.15087634    -14.34320339
  O     16.78278328     13.74830525    -13.58681961
  H     17.31368603      6.90460397    -14.79663771
  H     15.01621086      8.75241325    -18.63686883
  O     14.77898637      5.38501567    -13.49883697
  H     18.66184711      9.71776611    -11.58679985
  H     16.08409747      8.80200169    -19.75655507
  O     16.41294271     10.82555644     -9.51118099
  H     17.90290835     10.80963919    -10.79217438
  H     15.21447142     10.86936357    -12.87430596
  O     13.89519379      6.89469591    -11.43976085
  H     17.60540347     13.25170775    -13.64799956
  H     15.70084992      9.49171840    -12.28124135
  O     14.51557716     12.54253009    -12.73190125
  H     16.46848875     13.87867616    -14.49437170
  H     14.03182715     11.00030729    -16.62223727
  O     13.40327400      8.48280429    -17.98907681
  H     14.42057377      5.90219389    -12.75523078
  H     13.09252867     10.27046342    -15.60909104
  O     16.11899249      8.38144820    -10.78184232
  H     14.62095168      4.46689822    -13.29588306
  H     19.35419041      7.28601078    -11.59604678
  O     16.84927555      7.89006962    -16.33691339
  H     15.49465555     11.00973078     -9.78026436
  H     18.22054391      7.38684215    -12.64067189
  O     14.24940524      6.97678046    -15.74087986
  H     16.52156042     11.19985367     -8.64106880
  H     11.22850225      9.23960043    -11.68812560
  O     17.38574042     10.27717963    -15.06662639
  H     13.20446060      7.56563238    -11.44932045
  H     12.43681345      9.17194493    -12.64698961
  O     15.95204546      8.94775506    -18.82389659
  H     14.68491136      7.34767673    -11.10844274
  H     18.95595351     11.58923316    -12.85385489
  O     15.52743726      9.97929424    -13.09398678
  H     15.33823527     13.02324154    -12.91869513
  H     19.98527018     12.35426376    -13.72158679
  O     13.10490919     10.87424291    -16.36668036
  H     13.88804483     12.78908358    -13.42056922
  H     16.36697477     10.97004005    -16.39243059
  O     18.61906245      7.82865768    -11.86932193
  H     13.52851583      7.83975270    -17.27777337
  H     15.91045715     10.57943431    -17.81735226
  O     12.18138102      9.18876207    -11.70947097
  H     13.09221981      9.29228073    -17.56628391
  H     14.00828315     11.80804385    -11.15669075
  O     19.08816037     12.03233033    -13.71161871
  H     16.23358410      9.12908509    -10.18088288
  H     13.29877512     10.50064730    -10.74701630
  O     15.77578894     11.22635847    -17.11556039
  H     16.99896914      8.09810386    -11.06246697
  H     14.62154637     13.81820764    -15.75768240
  O     13.88549309     11.19093745    -10.41936307
  H     17.12716806      8.70570799    -15.89232183
  H     15.66660134     13.05718649    -16.58415116
  O     15.52905555     13.86914601    -16.07976781
  H     16.68975213      8.13127299    -17.25696617
  H     13.46365934      8.28789729    -14.75371456
  O     13.24113912      9.08395946    -14.25363600
  H     14.34318168      6.31400834    -15.04495241
  H     14.07356946      9.38903280    -13.85830444
          69
 Energy    -249.65058607800131     
  O     15.33021904     10.22182898    -16.18256735
  H     14.48165151     10.20073501    -15.72426203
  H     20.49672528     10.21941339    -17.05393498
  O     15.65081203      5.11115241    -13.81358886
  H     15.21623777      9.80332623    -17.04604875
  H     16.38817476      8.32517927    -13.82645894
  O     17.25141868     13.24666362    -10.75845807
  H     16.12537969      5.23056179    -14.64359712
  H     16.38506625      9.08631169    -15.18544054
  O     19.61248510      8.46174682    -14.45758264
  H     14.83804400      5.61804554    -13.91110484
  H     12.20873242     10.49389402    -14.51619257
  O     14.64756300      6.61193393    -16.88624832
  H     17.30886862     14.18289597    -10.92992233
  H     13.54903572     10.43178921    -13.74907941
  O     17.01312135      9.60858177     -8.55314527
  H     17.27260617     12.80144137    -11.62318292
  H     16.57587925      7.89405343    -11.23723183
  O     15.26270140      8.19826453    -12.37116223
  H     19.80875000      7.51687400    -14.44729485
  H     17.23490924      8.30178144     -9.89173166
  O     17.29467102     11.69380630    -13.02089847
  H     18.64238585      8.53177820    -14.47750041
  H     13.26832344      8.10454505    -14.43993912
  O     19.64728276      5.64649680    -14.43781907
  H     14.73048820      7.31377354    -17.54288255
  H     13.91800611      6.98844184    -15.27911653
  O     17.34572119      6.13340272    -16.02400148
  H     15.53879456      6.26115748    -16.77326018
  H     19.15231279     10.74739016    -10.44619801
  O     17.98724377      5.59284410    -12.33982097
  H     17.74176239     10.18668793     -8.84270407
  H     18.46677560     12.02500156     -9.92408199
  O     19.63244220      9.92931504    -16.77182284
  H     17.11218839      9.49067935     -7.61193007
  H     18.48498001      9.00508366    -11.58471587
  O     16.88789386      8.46941260    -14.63901476
  H     15.00248600      9.12796790    -12.31853900
  H     19.42616099      9.30762443    -12.78245929
  O     13.05878737     10.06083979    -14.50324926
  H     14.63789338      7.74958372    -12.95657508
  H     15.82804340     12.16304185    -10.01462567
  O     17.39306244      7.82916308    -10.71755032
  H     17.87444084     10.98955729    -12.69974181
  H     15.67982342     10.78293393     -9.35191131
  O     13.62955838      7.21244303    -14.38042337
  H     17.46046986     11.80361332    -13.96794821
  H     17.83552048      7.34851338    -17.48069516
  O     18.92084412     11.22289712     -9.63643813
  H     20.28982295      4.94552049    -14.37779099
  H     18.48895975      8.73429321    -17.70110018
  O     18.99555023      9.70552705    -12.01734006
  H     19.09764390      5.59560186    -13.63201346
  H     15.54648751     11.19662991    -12.77638510
  O     15.19188101     11.45737474     -9.83932270
  H     17.11106382      6.94089765    -15.53534955
  H     14.66637966     11.09699119    -11.51101010
  O     17.86286636      8.10439223    -18.07907326
  H     18.16716961      5.81788381    -15.62764306
  H     18.32480479     11.22403399    -16.14632683
  O     14.67822689     10.90778856    -12.46115404
  H     17.11096861      5.37874482    -12.69111106
  H     16.79472968     11.34306492    -15.99238796
  O     17.63246499     11.75261538    -15.73417297
  H     17.86177446      6.27030101    -11.66520901
  H     16.24765998      8.58055181    -18.50601411
  O     15.30433500      8.81174733    -18.59167745
  H     19.75861068      9.43471074    -15.94464411
  H     15.13762137      8.96299478    -19.51772864
          69
 Energy    -249.65045825011148     
  O     18.06333612      8.44400014    -10.32448126
  H     17.24227332      8.94759709    -10.42780458
  H     18.71836127      9.44692763     -8.98893849
  O     14.20272640      8.12216377     -9.14922898
  H     17.83751758      7.52157177    -10.16100040
  H     19.54149558     10.12556577    -12.46460256
  O     20.17763966      3.23692078    -12.38056660
  H     13.54523132      8.39298461     -8.51360715
  H     18.94548620      8.89463478    -11.74550907
  O     21.35545436      7.32289621    -11.96211179
  H     14.91936784      7.69625551     -8.64412807
  H     20.99575751      4.61197612    -13.48302817
  O     18.96447438      5.83967731    -15.51253999
  H     20.34687998      2.29943275    -12.41215950
  H     21.36841185      6.10274402    -13.35113229
  O     22.62273420      8.29563516     -9.63784095
  H     19.32835712      3.38536827    -12.83448772
  H     18.18571917      4.43015048    -14.45174451
  O     16.23668409      6.92410843     -7.84805180
  H     21.89769931      7.69376680    -11.25542213
  H     17.22378360      4.34819542    -13.25603914
  O     20.86566706      6.82488490     -8.18891004
  H     20.73648685      8.01283660    -12.23965726
  H     15.17140654      9.48847588    -10.07375597
  O     18.65095746      7.95307925     -6.66589671
  H     19.80019218      5.73236323    -15.02318466
  H     15.55270674      9.79167421    -11.55276049
  O     17.49437583      5.71905388     -9.97223780
  H     19.18131994      5.79822751    -16.43997932
  H     14.60609715      8.32352520    -12.80757601
  O     17.61500313     12.00450086     -9.83019669
  H     22.02335018      7.79937366     -9.05134087
  H     15.91536855      8.64067480    -13.56323986
  O     18.89393957     10.10971452     -8.30137453
  H     23.50859612      8.13842511     -9.32172991
  H     21.81054172      9.99583082     -9.70000823
  O     19.38482561      9.17923743    -12.56455124
  H     16.62958421      6.34299650     -8.51666132
  H     20.54488407     10.59785737     -9.06349936
  O     21.17231450      5.40948869    -13.99632821
  H     16.98161633      7.28456208     -7.35416906
  H     13.92297645      7.30069303    -10.77120176
  O     17.90430783      3.85300912    -13.73082663
  H     20.09594903      7.09059392     -7.67488587
  H     12.92381931      6.60669883    -11.72215833
  O     15.78277792      9.98371019    -10.63052893
  H     20.57437184      6.15600023     -8.82263052
  H     18.17705302      8.24818751    -13.55731772
  O     15.15300838      9.04876859    -13.13141596
  H     18.82375747      8.11953675     -5.74219761
  H     17.96312090      7.11269711    -14.59203569
  O     21.25979060     10.78708827     -9.68602143
  H     18.74048870      8.80692387     -7.12411616
  H     20.23463131     12.61367173    -12.09603472
  O     13.82319298      6.91983360    -11.65761366
  H     18.41968551      5.47157230    -10.10408227
  H     20.41196051     11.50535366    -11.03106399
  O     17.50455399      7.68150518    -13.96101749
  H     17.04476778      5.61543498    -10.82202031
  H     15.36435312      6.02182851    -12.20938820
  O     19.82958653     11.82523930    -11.74453169
  H     18.25926741     12.03813620    -10.54737688
  H     16.68633763      6.42055287    -12.92570451
  O     16.24970201      5.71067427    -12.43095882
  H     16.89479730     11.44012074    -10.14317704
  H     20.53019880      5.99083398    -10.98426991
  O     20.16521994      5.26838278    -10.45332253
  H     18.43098851     10.90245682     -8.60783001
  H     20.21670836      4.47664248    -11.00327079
          69
 Energy    -249.65037679409539     
  O     13.12955408     14.67787419    -12.83960937
  H     13.14851726     14.53351239    -13.80145756
  H     12.57762331     11.10867318    -15.31521570
  O     15.92744587      9.07076744    -17.14534955
  H     12.57817498     15.44267755    -12.69279858
  H     15.39847671     12.29411939    -17.13221558
  O     15.14104845      9.03383304    -11.28970519
  H     16.13120097      8.42291665    -17.81564081
  H     15.29495904     10.80717085    -17.56204176
  O     17.95670156     14.40313083    -14.02520894
  H     15.20763446      8.69921704    -16.60675561
  H     13.21482075     11.89003349    -17.26459853
  O     13.98599049      8.20615263    -15.40669826
  H     15.48339446      8.57721066    -12.06998476
  H     11.71028370     11.97587940    -17.62515637
  O     13.95122786      6.64501543    -10.45116516
  H     15.71055268      9.80341774    -11.15059721
  H     13.09729721     13.24946777    -11.61416385
  O     15.06979943      5.23577457    -12.48298288
  H     18.55810830     15.14237842    -13.99581902
  H     12.91444047     11.76894702    -11.17429686
  O     15.39850260     11.44821633    -13.83596609
  H     17.25338209     14.58891515    -13.37631788
  H     17.13575048      8.96855583    -14.28541167
  O     12.60082431      9.99888421    -11.87971976
  H     13.54142260      9.02256914    -15.13964901
  H     17.08313576      9.58079513    -15.69804134
  O     16.03592882      7.65336352    -13.56141871
  H     13.48909296      7.47013809    -15.01907817
  H     12.26579412      6.62549983    -13.21418514
  O     18.64663690     11.75687907    -13.10043249
  H     14.41744868      7.48990252    -10.52952676
  H     13.50477372      5.76012586    -13.50858509
  O     12.90292661     10.61527179    -14.55339483
  H     13.04294447      6.82927750    -10.72065264
  H     14.70696478     13.13070687    -10.10870983
  O     14.88646826     11.67392069    -17.66970038
  H     15.38370130      4.37396755    -12.22429374
  H     15.50420066     13.63440719     -8.87832198
  O     12.32364056     12.04237092    -16.89890321
  H     14.70134328      5.65385354    -11.68357263
  H     16.73963440     13.83900547    -15.35719776
  O     13.24219857     12.62829033    -10.88786753
  H     16.06532552     10.85482209    -14.21099097
  H     15.71628414     12.74480179    -15.04162802
  O     17.38723222      9.75095696    -14.79799619
  H     15.64937721     11.56733911    -12.91250465
  H     16.43304605     12.06581666    -10.71104894
  O     12.78783434      6.24727481    -13.93290489
  H     13.49677021      9.69361113    -11.66688639
  H     17.43729405     11.49904408    -11.78554218
  O     15.58126647     13.44351027     -9.80850328
  H     12.58537592     10.21591276    -12.82331027
  H     12.86241112     13.63229521    -15.99881801
  O     15.97617830     13.38126375    -15.72596392
  H     15.87575911      6.75912108    -13.23530841
  H     14.27592746     14.14715615    -15.66630604
  O     16.62955309     11.31572648    -11.28335150
  H     15.32609801      7.84441204    -14.19190977
  H     11.78498155      8.41106678    -11.71850076
  O     13.33678221     14.30711095    -15.49991130
  H     18.49156140     12.62572833    -13.49181159
  H     10.58834435      7.49617390    -11.37692481
  O     11.49466978      7.48464240    -11.67388904
  H     18.41692867     11.10328208    -13.77235227
  H     15.00983829     14.84820496    -12.52318459
  O     15.93689833     14.83020347    -12.25715102
  H     13.76591238     10.98938276    -14.31088570
  H     15.93671882     14.46434515    -11.36431086
          69
 Energy    -249.64997475938597     
  O     16.68416767      4.19523473     -9.51747131
  H     16.35448533      5.01718874     -9.12798369
  H     12.55584847      6.60333679    -15.39209292
  O     18.52151421      7.78300525    -12.00005857
  H     15.90511602      3.75527658     -9.88051795
  H     14.68222755      5.10819263    -11.44688313
  O     13.35169225      7.95360704    -12.57990221
  H     18.36582434      7.71780557    -12.95228904
  H     15.69126041      5.76382711    -12.41550843
  O     12.81102595      7.46062089    -17.01385548
  H     18.55232422      6.87830527    -11.67062746
  H     17.89999713      4.66322649    -10.68251941
  O     17.08161507     10.03314386    -11.52555743
  H     12.93521213      8.38280932    -11.82336218
  H     19.36031489      4.52476826    -11.16458939
  O     15.45027144      6.68355082     -9.09422749
  H     13.92117951      7.24846409    -12.22927284
  H     11.96436296      9.84682052     -9.89807393
  O     11.45889197      4.17536780    -12.91060904
  H     13.46444992      8.15712990    -16.82087149
  H     13.41457118      9.30574961     -9.94070180
  O     15.01024355      5.66207341    -17.39338630
  H     12.17742197      7.83570572    -17.61924018
  H     12.28877516      5.87160364     -9.28573315
  O     14.80215303      9.22361419    -16.47904500
  H     17.62536484      9.22833315    -11.59671963
  H     12.48162957      7.40638635     -9.25214505
  O     16.97020663      7.54253324    -17.36659127
  H     17.68716110     10.76248056    -11.41857600
  H     15.96847585      9.70803468    -13.00883064
  O     17.49150285      7.61063625    -14.62581615
  H     15.43525297      6.53134495    -10.05054873
  H     14.69117558      8.89725764    -13.35090633
  O     12.61424879      6.16468206    -14.53477713
  H     14.52571051      6.59578539     -8.81276961
  H     15.77906449      9.69679066    -10.20929602
  O     14.99843283      5.96086322    -11.77465871
  H     11.72009099      4.89088949    -13.50533604
  H     15.35081485      8.54696095     -9.27187918
  O     18.53097098      4.95062102    -11.36554305
  H     12.05094642      3.43993056    -13.10922009
  H     10.89808212      3.89084954     -9.82296648
  O     12.49180827      9.10792589    -10.18822557
  H     14.93333119      5.04093207    -16.65873711
  H     11.49376594      4.35682585    -11.17130362
  O     12.71391767      6.58732045     -8.79804275
  H     14.19612457      6.18146386    -17.38598208
  H     17.16354972      5.95951329    -14.04696329
  O     15.46973369      9.32147171    -13.73900056
  H     15.00181097      9.41087482    -15.55219809
  H     17.54363546      4.93584377    -12.93161622
  O     15.10284214      9.43118813     -9.57561230
  H     15.59166135      8.80652068    -16.84507552
  H     13.37763422      3.65931457    -10.46551537
  O     11.64252620      4.34557000    -10.20936363
  H     16.32353127      6.81554903    -17.41633702
  H     14.08939621      2.93733353    -11.63732862
  O     16.90911054      5.11981881    -13.63622790
  H     17.46444133      7.52923673    -18.18147389
  H     14.00722791      2.91300417    -13.98052135
  O     14.24649034      3.43335735    -10.82366525
  H     16.76862563      8.18681381    -14.33625015
  H     13.63172096      1.43159315    -13.74573266
  O     13.60048856      2.29721640    -13.34696815
  H     17.46215799      7.59416380    -15.59016904
  H     15.46840831      4.51328708    -14.50191420
  O     14.63769309      4.26476508    -14.93438450
  H     12.79337773      6.85080947    -13.87546693
  H     13.98170127      4.95331684    -14.74648361
          69
 Energy    -249.64982473098402     
  O     16.13412535     10.81967940    -15.96922353
  H     15.28561103     11.06281780    -15.57909677
  H     17.58474083      3.79058531    -12.40380055
  O     14.89266112      4.88925556    -14.30835052
  H     15.98965866     10.58568636    -16.89562436
  H     21.00277716     10.24867944    -16.66350642
  O     18.00195509     13.14763296    -10.35446121
  H     15.71090584      4.70771916    -13.83133042
  H     19.67299520     10.52925931    -15.91856983
  O     19.45426058      7.95861254    -14.45507690
  H     15.16059168      5.25487424    -15.16344693
  H     16.53068200      9.17370438    -15.22620090
  O     13.93503389      8.09806669    -17.54960203
  H     17.07861656     12.95089655    -10.12218089
  H     17.63566722      8.19406852    -14.70654702
  O     15.25974040      8.11404263    -12.47711327
  H     18.09363595     14.09466834    -10.28564736
  H     13.04293284     11.94155680    -14.77579804
  O     17.99876239     11.22991338    -12.32294809
  H     19.83049080      8.59125745    -15.08059560
  H     13.36924863     10.42613125    -14.76709181
  O     19.06093632      5.30817020    -15.15515277
  H     19.56977518      8.30620579    -13.56178954
  H     16.68215137      7.25871014    -11.68992136
  O     13.06460167      6.61886751    -13.34498377
  H     14.53023654      8.71327638    -17.99229149
  H     18.19666131      7.49408002    -11.52980447
  O     18.31214311      5.76220359    -17.70008652
  H     14.49458281      7.35384138    -17.28645463
  H     13.14830876      8.58435741    -16.01237553
  O     15.79970299      6.29143789    -16.52764074
  H     14.45010064      7.61628970    -12.64263377
  H     12.85418351      8.08793618    -14.56961811
  O     17.39571236      4.53372222    -12.97132404
  H     15.74092496      8.14965545    -13.32013049
  H     20.08953853      9.15188367    -11.18370284
  O     20.19272446      9.83963348    -16.37242684
  H     17.04610339     11.07739920    -12.38177882
  H     18.91971167      9.76853297    -11.98274646
  O     16.68395879      8.31027986    -14.82109393
  H     18.12556541     11.93416688    -11.67101039
  H     15.23358774     11.84597601    -10.75386634
  O     13.73793489     11.31454237    -14.59774383
  H     19.30706738      6.19946397    -14.86796557
  H     14.81381830     12.03078781     -9.28696566
  O     17.51760365      6.81223203    -11.49164114
  H     18.49460237      4.95533053    -14.45904002
  H     18.36184321      7.62312936    -18.01123899
  O     12.84239599      8.86573517    -15.13649963
  H     12.31094961      6.15168573    -12.99579051
  H     18.98051367      8.97998363    -17.58246361
  O     19.42848486      8.95207053    -11.84174912
  H     13.67487409      5.94402045    -13.69497088
  H     15.18469832      9.87353695    -12.21898326
  O     15.37262699     12.39800806     -9.96739053
  H     18.61747698      5.06843838    -18.27789633
  H     14.69250165     11.10320949    -13.02486447
  O     18.30271583      8.57814721    -18.13795495
  H     18.62200964      5.53898516    -16.80309118
  H     18.51385688     11.53865719    -14.09846492
  O     15.21678662     10.84075841    -12.25845068
  H     16.57520659      6.02203910    -17.03216103
  H     17.74938091     11.43495018    -15.42994363
  O     18.63104791     11.57648688    -15.05555111
  H     16.09565138      6.99733480    -15.93178077
  H     15.98707819     10.25170700    -19.44840235
  O     15.96465607      9.86335139    -18.57817401
  H     17.47144232      5.33073297    -12.41761566
  H     16.80185121      9.37639389    -18.46713947
          69
 Energy    -249.64845237836136     
  O     12.74938591     13.70419570    -13.56229153
  H     12.31476082     13.01644114    -13.02498244
  H     19.66346783     11.41234834    -16.30155777
  O     19.82153386      8.08405966    -11.04434019
  H     12.07596066     14.33671936    -13.79679015
  H     13.35287085      8.93621061    -15.44710723
  O     17.52350332     11.20664764    -11.63470876
  H     19.76656054      8.66766014    -11.81901999
  H     13.80907089      8.05298648    -14.28426265
  O     11.66817289      8.98307742    -12.40926195
  H     20.74541119      8.02731826    -10.81191822
  H     15.14808750      9.59418945    -12.96984216
  O     15.87893848      6.89141654    -10.85257716
  H     17.60824061     12.16659618    -11.66047567
  H     14.89750076     11.04182498    -13.50444233
  O     13.41068612      7.95376892    -10.31662937
  H     16.68616520     10.98662587    -12.07289197
  H     14.43956179     10.80943907    -16.09442380
  O     18.21651992      5.95792032    -12.20540041
  H     12.11285686      8.81256535    -13.25794236
  H     14.09112075     10.28175721    -17.50563561
  O     14.58931213     12.12796074    -14.95357964
  H     10.86427143      8.46835751    -12.42030048
  H     15.90005835      9.48204755     -8.92902259
  O     17.94064336      7.61507045    -14.40262832
  H     16.40660445      7.62171899    -10.50461425
  H     15.03007847      9.55153849     -7.65756181
  O     17.42938888      9.09796048     -9.86175865
  H     14.95968965      7.08895871    -10.61521423
  H     19.40079769     10.28720335    -14.00669464
  O     17.22656074      9.42175936    -16.44322511
  H     12.84537397      8.36932376    -10.97835581
  H     18.69950609     10.31354595    -12.63459873
  O     19.05378236     11.21499694    -15.59530833
  H     13.73920491      8.65357073     -9.74185996
  H     17.81896988     12.54280592    -14.99819062
  O     13.01833033      8.42866271    -14.70021695
  H     17.38416730      6.04592877    -11.72230308
  H     17.32239922     13.47126517    -13.86021817
  O     15.12503617     10.52688707    -12.72032505
  H     18.84130838      6.53043972    -11.74441117
  H     16.50863993     14.07210636    -11.85640998
  O     14.41423482     10.01045730    -16.64961894
  H     15.46174789     12.55313750    -14.93144255
  H     17.88878574     14.75157992    -11.68064532
  O     15.02180264      9.72511218     -8.59599633
  H     13.94073766     12.73079717    -14.57030068
  H     14.57093304     13.30622783    -11.02496339
  O     19.30654922      9.79321043    -13.18278668
  H     18.41733583      8.36070938    -14.01384219
  H     14.14467490     14.09530114    -12.27448581
  O     17.10379217     13.13530925    -14.73753351
  H     18.06286977      6.87838333    -13.78574692
  H     11.63889707     10.83926925    -12.17387704
  O     17.46402580     13.97118180    -12.02501754
  H     17.43429379      9.90367867    -10.40117264
  H     12.41714629     11.78435016    -11.25104408
  O     14.81213248     14.06125735    -11.58014998
  H     18.27659051      8.67366736    -10.04126334
  H     14.38520718     11.19344996    -11.21906258
  O     11.75550370     11.77258091    -11.95637609
  H     17.39622481      8.64245994    -15.89739162
  H     14.37291004     11.10065375     -9.67228379
  O     14.07162411     11.63628863    -10.41359705
  H     16.27079041      9.51912304    -16.51995702
  H     16.22198226      7.77100339    -13.84982140
  O     15.36909566      7.85410808    -13.40533038
  H     18.38875224     10.60360996    -15.96321720
  H     15.47181660      7.44376974    -12.53715535
          69
 Energy    -249.64815991969243     
  O     13.30448263      6.33152055    -15.77902974
  H     12.60643492      6.99323791    -15.70009748
  H     13.70493490      4.61672761    -12.79994193
  O     10.23055421      8.60780025    -11.24999504
  H     14.12999083      6.76249230    -15.52632418
  H     12.65415057      5.86443349    -11.22206729
  O     16.33454586      6.05319931    -10.35221119
  H     10.15471520      7.86564585    -11.87315225
  H     11.93247948      6.17169688    -12.56211128
  O     13.79123096      2.34481488    -10.84414140
  H      9.35138307      8.77358332    -10.91757415
  H     11.33358662      8.81811259    -14.74835741
  O     17.95537671      9.00734739    -13.92090027
  H     16.29537634      5.85531336    -11.29944086
  H     10.65778803      8.55644449    -16.11599620
  O     11.71006253      9.83048725    -13.38313503
  H     17.23459797      6.35666598    -10.17647296
  H     19.07236905      6.84147339    -11.23178537
  O     16.39238498      5.45345554    -13.07037444
  H     14.02558860      2.74701643    -11.69387143
  H     19.78831598      6.98321599     -9.86545397
  O     11.15358228      2.98459615    -10.83777507
  H     14.24797066      2.86335974    -10.17150864
  H     14.41714413      8.68044167    -11.78348708
  O     17.49371395      9.38236195    -11.25237449
  H     17.74526102      9.21214598    -12.99201783
  H     13.56722534      7.61259182    -12.49303954
  O     12.26639386      5.25863580     -9.52466697
  H     18.38639861      9.77908806    -14.27865151
  H     15.40469586      4.87595098     -9.42433786
  O     12.40891843      8.08494330     -9.41196704
  H     12.58965811      9.50549238    -13.14020070
  H     15.24956156      4.07904344     -8.10912056
  O     14.16629594      3.83758933    -13.15010151
  H     11.15096450      9.62797738    -12.62358178
  H     14.14524112      8.49618750     -9.74053625
  O     12.80056236      6.03260462    -12.16186922
  H     16.10916249      6.17271477    -13.65206531
  H     15.42853641      7.69259034    -10.09777420
  O     11.12060818      8.12716480    -15.40136703
  H     15.73875200      4.74911692    -13.16624667
  H     18.78714550      7.34457287    -13.39714922
  O     18.94417441      7.08338213    -10.29599657
  H     12.07045192      2.65606995    -10.84496830
  H     18.19440016      5.97005317    -13.05007847
  O     14.00076105      8.46888408    -12.62786969
  H     10.61358262      2.28412144    -10.47989053
  H     10.13861524      5.67454038    -13.32609556
  O     14.83596914      4.24423186     -8.95278325
  H     18.06210945      8.72902684    -10.82642957
  H     10.43742227      7.05090200    -14.01850576
  O     15.05114360      8.58244354    -10.07453726
  H     16.64253924      9.31417625    -10.80108443
  H     15.02114950      8.00485506    -13.97583682
  O     18.98730381      6.51483597    -12.94556378
  H     11.75196705      4.52010045     -9.87504615
  H     16.42298966      8.11692408    -14.60601556
  O     10.24025116      6.62683820    -13.17365481
  H     13.11308245      4.89564486     -9.23067502
  H     12.82144068      4.67963391    -15.58185961
  O     15.59783818      7.61980619    -14.65585731
  H     12.27655395      7.13878371     -9.27036934
  H     12.53615628      3.31398490    -16.25167213
  O     12.55191351      3.75854707    -15.40866601
  H     11.69887759      8.35514929    -10.00627980
  H     10.70354205      3.56847783    -12.63055903
  O     10.41873289      3.94370727    -13.47288075
  H     13.72132902      3.62609594    -13.97921869
  H     11.11993524      3.77739524    -14.11507611
          69
 Energy    -249.64724912924129     
  O     12.74838631     10.17194920    -11.48238061
  H     12.78802046     10.99834447    -11.98101071
  H     14.72951250     14.10469272     -7.98825963
  O     11.68623553      8.62242817    -14.63678162
  H     13.23442227      9.49470391    -11.97293540
  H     11.56724879     12.94216347     -9.80170749
  O     12.65305013     12.61322812    -12.81431900
  H     11.44367700      8.23179035    -15.47189580
  H     10.36525707     12.85473543    -10.76947218
  O     13.91417499     10.19685217     -9.03680528
  H     12.13104711      9.46632251    -14.84035427
  H      9.92166027      7.68052647     -7.27547279
  O     12.94928083      6.17172775    -10.96029960
  H     12.12698093     12.97603097    -12.08949317
  H     10.24318597      8.90650622     -8.15935326
  O     15.38493089     15.58077091    -11.18141727
  H     13.56605530     12.90983102    -12.69621696
  H     10.71025845     11.18790717     -8.24867542
  O     10.26556131      9.37842047    -12.27567773
  H     13.46223396     10.19890195     -9.89664646
  H      9.56598283     10.90900241     -9.24766752
  O     15.36133412     13.13938617    -12.49665259
  H     13.80705327      9.30139544     -8.68891685
  H     13.26813485      7.09148283     -9.24365908
  O     16.09632577     13.78510999     -9.03033773
  H     12.00536336      6.40671255    -10.90349577
  H     12.29179338      7.69262597     -8.21891240
  O     12.95917161     15.47909129     -9.97421968
  H     12.99959839      5.21971117    -10.93083757
  H     15.35140797     10.94306772     -9.87812524
  O     13.84377365      8.01690828    -12.85276500
  H     15.63786507     16.48550164    -11.34195588
  H     16.19202480     10.68072353    -11.15117204
  O     13.90995734     14.35054407     -7.52209768
  H     14.48647330     15.60123471    -10.80463519
  H     13.93985480     11.05595369    -15.07252109
  O     11.17504492     13.34683780    -10.59049663
  H     10.52680248      9.09727343    -13.16029691
  H     12.70218186     11.60512386    -14.35724340
  O     10.40779027      7.95324748     -8.04909709
  H     11.09596794      9.65050746    -11.85101618
  H      8.12442379     11.62030892    -11.26562380
  O      9.97063357     10.59302653     -8.43259238
  H     15.43658699     14.03668882    -12.14919077
  H      9.37671877     10.75505952    -11.52828126
  O     13.23066705      7.60721584     -8.43014706
  H     15.57073571     12.52939921    -11.77273368
  H     15.68056489     12.19287474    -13.99335631
  O     15.99794703     11.34624982    -10.47410962
  H     16.03269694     14.42907704     -9.74579690
  H     16.44687095     11.88981092    -15.29954822
  O     12.98216423     10.95682591    -15.01884459
  H     16.20736131     12.92289400     -9.45215226
  H     16.13035965     10.15364718    -13.41738008
  O      9.03704880     11.50459820    -11.01210636
  H     12.24188771     14.89764506    -10.25475528
  H     15.48242563      8.94679101    -12.72248611
  O     15.77382202     11.54863718    -14.71558907
  H     13.18619293     15.20681006     -9.07544418
  H     10.19923333      7.77619039    -11.25263351
  O     16.17760151      9.60973224    -12.62248275
  H     13.59934544      7.32130703    -12.22602730
  H     10.29419247      7.29225838     -9.78714118
  O     10.38440615      7.00345693    -10.70537955
  H     13.14816799      8.06563594    -13.52031736
  H     12.87190418     11.50731279     -8.45360422
  O     12.24603744     12.22508794     -8.27205778
  H     14.16999443     14.71666715     -6.68132168
  H     12.75495067     12.94502911     -7.88172429
          69
 Energy    -249.64718313057830     
  O     11.73733146     10.15955042    -14.81611128
  H     12.26446318     10.95140922    -14.96496572
  H     15.97716831      5.84239064    -14.86174190
  O     16.31810739      6.72277553    -13.32163594
  H     12.09499174      9.48510955    -15.41283489
  H     19.73953936      6.64351930    -13.07001817
  O     17.40715789     11.56507867    -12.64189995
  H     15.78552073      6.77953256    -12.51673662
  H     18.98032316      7.80069408    -13.75564906
  O     18.36560059     11.42026544    -15.15237272
  H     17.24276860      6.86805130    -13.09067886
  H     15.62736737     10.22361431    -15.64019666
  O     12.91219845      5.52341364    -15.51365609
  H     16.44401626     11.49401865    -12.68638429
  H     16.70095000     11.27430303    -15.97834455
  O     15.49627121      9.77740446     -8.97565870
  H     17.64274768     11.32741563    -11.73829138
  H     15.58733402      8.19147360    -14.13232212
  O     14.63145620      7.01171785    -11.15262123
  H     18.07135712     11.48615704    -14.22459356
  H     14.36118693      8.60846018    -15.00666290
  O     14.65684659     11.12177862    -12.89181845
  H     19.07378995     12.04846135    -15.26244273
  H     10.28566410      8.98689222    -12.29503361
  O     17.22958614      7.23284031    -17.28086690
  H     12.29290578      4.82006720    -15.68777526
  H     11.38469258      9.39213155    -13.30412705
  O     16.34519041      7.02847350     -8.94398767
  H     12.77478700      5.79567314    -14.58771025
  H     18.71143804      7.85121724    -11.18716262
  O     18.73491606      8.59433992    -15.26087479
  H     15.70192619      8.84876617     -8.81174736
  H     18.36690155      9.01572330    -10.22503848
  O     15.74953634      5.55962871    -15.75972076
  H     14.71170760      9.78053206     -9.53966182
  H     12.02681774      7.21834923    -12.84117671
  O     19.04807875      7.28603532    -12.93110776
  H     14.27133840      7.90850107    -11.09767222
  H     13.25386130      6.44693545    -12.32621434
  O     15.80222395     11.00008504    -16.19661629
  H     15.15577314      6.87879463    -10.35337847
  H     18.20746154     11.37767164     -9.28271962
  O     15.09859223      8.94566356    -14.48139096
  H     14.22265729     11.71933359    -13.51050740
  H     16.96336587     10.51655340     -9.59294236
  O     11.21809253      8.90497136    -12.47697357
  H     14.80461296     10.29757914    -13.38605187
  H     15.32923865      9.78042068    -17.61598931
  O     18.45722998      8.05597665    -10.27923932
  H     17.70684628      6.72225904    -17.93036910
  H     15.82192305      8.34738065    -17.84981585
  O     12.54967733      6.42031583    -12.98570882
  H     16.69550848      6.59929436    -16.76809914
  H     13.90374478     10.20781727    -11.55464597
  O     17.82440062     10.80653079     -9.94374169
  H     16.63245963      6.45603323     -8.23852567
  H     12.63355364      9.36243022    -11.33704348
  O     15.07442168      8.93770455    -18.01243931
  H     17.14724939      7.33083949     -9.40894078
  H     13.44444936     13.19080885    -15.62751502
  O     13.49310862      9.57087435    -10.95087971
  H     18.21571543      8.20867804    -15.97684065
  H     14.36561769     11.95052920    -15.65399977
  O     13.59473577     12.34551990    -15.21251131
  H     18.61772016      9.55069135    -15.29745484
  H     13.68030887      8.39532729    -17.00019434
  O     13.06235190      8.22179160    -16.27420008
  H     14.79226893      5.44732424    -15.76073293
  H     12.96450714      7.26827549    -16.16822940
          69
 Energy    -249.64684267583760     
  O     14.28485491     11.05451077     -9.85909539
  H     14.30478804     11.92840695    -10.27675494
  H     13.91167577      6.72413142    -11.31991865
  O     16.94123684     12.02495478    -12.40563673
  H     15.01539213     10.55764195    -10.25074361
  H     11.93849246      7.79421805     -9.19310879
  O     11.06228628     10.92452377    -15.42135385
  H     16.86459786     11.21132756    -11.88117236
  H     10.65634631      7.89036074    -10.06825059
  O      9.94305196      8.93680347    -13.95817557
  H     17.83839013     12.33273478    -12.30085339
  H     13.85068170     13.02311097    -12.25612537
  O     12.91233792     12.01523065    -13.63347789
  H     10.63434387     10.21671420    -14.90737266
  H     15.33900716     13.00032588    -11.86379836
  O     15.33898887     10.94236832    -14.51686392
  H     10.40527161     11.25889668    -16.02606164
  H     12.66530633     10.14303562    -16.14025611
  O     16.42193809      9.61234535    -11.09594364
  H     10.39149591      8.09048332    -14.09854189
  H     14.18939064     10.24612491    -15.93950122
  O     14.65814162      4.55755813    -13.20020836
  H      9.75225178      8.98631094    -13.01534642
  H     16.55261501      6.95715842     -8.70857649
  O     13.21960460      7.93821476    -12.42055582
  H     13.74290729     11.64896155    -13.97077778
  H     15.47126487      6.88011065     -9.81291818
  O     11.80735694      4.13784403    -12.93418968
  H     12.22966617     11.78815185    -14.27808968
  H     11.53397030      5.67756400     -9.99506945
  O      9.77909923      9.24468485    -11.09551262
  H     15.95975799     11.44889198    -13.98110380
  H     11.58369861      4.22593124     -9.46245216
  O     14.30152341      6.00373855    -10.79732064
  H     15.46334892     10.02034305    -14.24523958
  H     15.51367585      5.48034964    -14.41140935
  O     11.21194560      7.27884355     -9.57346652
  H     16.23446556      9.15897831    -11.93193740
  H     16.59639346      5.58917120    -15.51250598
  O     14.46130752     13.23694026    -11.53885050
  H     16.42544597      8.92768518    -10.41562187
  H     13.47281040      7.94167634    -16.27640659
  O     13.50592137      9.74642322    -16.39987735
  H     14.72363794      5.00191869    -12.34481837
  H     14.29560321      6.69652157    -15.85923611
  O     16.00331085      7.49247537     -9.27562358
  H     13.73037937      4.30793206    -13.27590096
  H     11.52963335      5.76684641    -13.85253960
  O     11.81639869      4.76789431    -10.21133095
  H     12.82655566      8.75563422    -12.09256404
  H     12.14149470      6.71951625    -14.93746586
  O     15.94679950      6.09420670    -15.03129202
  H     12.60070082      7.53334287    -13.04290824
  H     14.26638904      8.23702838     -8.65901620
  O     13.40914891      6.99274579    -16.08890803
  H     11.26999509      3.36386580    -13.08678921
  H     13.61315694      9.60370906     -8.82963826
  O     11.51612439      6.66642640    -14.19470201
  H     11.75312886      4.33381755    -11.98519783
  H     14.77767805      8.24537391    -13.17062675
  O     13.41912776      8.68938538     -8.58639896
  H      9.16958873      9.84054673    -10.66612513
  H     15.91881223      7.65746094    -14.04098726
  O     15.68474633      8.40337648    -13.47685911
  H     10.61216071      9.73571859    -11.21370838
  H     12.85659714     10.59287128    -10.86277291
  O     12.19696898     10.38004292    -11.53536801
  H     13.55769189      5.49240013    -10.45881658
  H     12.37250542     10.95928096    -12.28938602
          69
 Energy    -249.64679704255923     
  O     10.20251352      9.64904646    -12.68466784
  H     10.01619318      9.20844302    -13.52341296
  H     16.24308217      6.28550133    -17.75420800
  O     14.32906758      7.21454213    -15.37251060
  H     10.95131374     10.23696893    -12.84614612
  H     18.79706322      8.65950322    -15.78433536
  O     16.49647675      9.52706289     -9.59844501
  H     14.14301342      6.68593217    -14.58373581
  H     17.96408666      7.41758714    -16.15208556
  O     18.65573063     10.53633728    -16.24318948
  H     13.61474421      7.86030180    -15.47458079
  H     15.55786716     12.16804393    -14.28462701
  O     12.45446518      9.22179289    -15.44689698
  H     16.31111440      8.57119464     -9.62928361
  H     14.81302259     13.50527752    -14.48814841
  O     15.74797714      6.91246853     -9.79109284
  H     16.67838453      9.74047420     -8.68705505
  H     16.05441025      9.72289615    -13.94608465
  O     13.88667859      5.87268485    -12.97264971
  H     19.33689971     10.96710233    -16.75187168
  H     15.19852984      8.45282922    -14.31545331
  O     14.31821070      9.82978750    -11.35903104
  H     17.92906721     10.32601612    -16.86005332
  H      9.64080261      7.48743963    -10.42103791
  O     16.58440140      9.80481294    -17.76846723
  H     12.53173873      9.78282762    -14.66233708
  H     10.29373335      8.33435541    -11.54113083
  O     16.51379521      5.26133337    -12.02944927
  H     11.57058890      8.83464946    -15.43210858
  H     17.01228668      7.94972079    -13.10675413
  O     17.07636513     11.25451011    -14.06265300
  H     16.08657857      6.29221887    -10.44637267
  H     18.25334413      7.44674657    -13.87175231
  O     16.38526703      7.01690305    -17.15862304
  H     14.79798254      6.97312571     -9.96306714
  H     11.97153229      5.81576089    -13.33064401
  O     18.67872858      7.72419427    -15.57965534
  H     14.74650638      5.51042055    -12.72705953
  H     10.78726324      6.39932188    -12.52967270
  O     14.68780704     12.55940209    -14.47180710
  H     13.62020147      6.42693579    -12.22392337
  H     18.32859069      9.13730879    -12.16197587
  O     15.58507491      8.95641922    -13.59083872
  H     14.77295707      9.49425216    -12.15056176
  H     17.68105410      9.95384418    -11.03787376
  O     10.38814791      7.52210765    -11.01153634
  H     14.99639154      9.91587807    -10.67930913
  H     13.55729822     10.32808202    -16.49574098
  O     17.82621069      7.43409343    -13.00191669
  H     15.74364556     10.21179483    -17.51024767
  H     14.38064369     11.56495404    -16.10380486
  O     11.03913880      6.05303436    -13.39567488
  H     16.46835811      8.85106305    -17.69042110
  H     13.46811458      8.29863734    -10.93787734
  O     18.19508735     10.04117248    -11.84997183
  H     17.06681734      5.97794582    -12.38744883
  H     12.19714382      7.42997528    -10.70554500
  O     14.25465802     10.91845811    -16.80751654
  H     17.06146874      4.48113070    -11.99908076
  H     13.15694449     10.63422387    -12.48792452
  O     13.15960277      7.39874765    -10.75574531
  H     17.51734032     10.96004465    -13.25061946
  H     13.24263170     11.62312050    -13.66303877
  O     12.66124552     10.97460039    -13.24708736
  H     17.67352952     11.08099202    -14.80250096
  H     10.36184757      7.22762385    -14.50288785
  O     10.00669364      7.97795550    -15.01304088
  H     15.63042992      7.02890260    -16.54622166
  H      9.28339923      7.64246077    -15.53506633
          69
 Energy    -249.64631367489352     
  O     12.32764720      9.77860928    -11.42257016
  H     11.71513008     10.52533779    -11.44339633
  H     14.27141521      8.15974492    -13.36348650
  O     12.49067780      8.03762390    -13.72023918
  H     12.49960184      9.49536670    -12.32787700
  H     12.83717521     13.98135129     -7.48303072
  O      9.11223925     10.54560087    -13.09530032
  H     11.92414454      8.54705455    -14.31366286
  H     14.26400379     13.78493236     -8.02324674
  O     14.52181425     10.05409035     -9.87809676
  H     11.91778501      7.58642040    -13.08568209
  H     10.54756004     12.04172501     -9.66118883
  O     15.34145059      7.41874915    -10.35087177
  H      8.85508522      9.77841158    -12.56872417
  H     11.36914439     11.60566847     -8.40401013
  O     12.68746789     15.40440874    -10.41817379
  H      9.65578406     10.22852472    -13.82664781
  H     11.63444091      8.20308574     -6.52228853
  O      8.44435461      8.44337925    -11.24316546
  H     13.72321986      9.94579522    -10.42327228
  H     12.17089311      9.29732219     -7.46949015
  O     12.75997086     13.47178071    -12.36218097
  H     14.98506185      9.21039199     -9.92429071
  H     12.50708731      7.27332770     -8.71875634
  O     15.24010710     14.38245878     -9.55782695
  H     14.47246187      7.12049203    -10.02627799
  H     12.19455803      6.72288835    -10.12295357
  O     11.00841885      7.32659226    -11.44142294
  H     15.98065013      6.78038101    -10.04663038
  H     14.99472926     11.53079199    -10.77930817
  O     11.14285071     14.63694871     -8.11804639
  H     13.57602421     15.21040518    -10.09385199
  H     15.43257082     11.92565802    -12.20812351
  O     15.14868588      8.41716457    -13.04487002
  H     12.09625935     15.22868095     -9.67596131
  H     10.76148041      9.98653463    -16.09186140
  O     13.65027257     13.47983503     -7.34366766
  H      8.74487361      8.80768154    -10.39032378
  H     11.66005091     10.56146703    -14.97022287
  O     10.54090032     12.01551014     -8.68975465
  H      7.55326042      8.13232669    -11.10742202
  H     10.03700678     11.62076408    -12.04641164
  O     11.71439914      8.43941411     -7.44371930
  H     13.54935250     13.03145126    -12.01957545
  H     11.28721518     12.57187525    -11.81825369
  O     12.87688917      6.74830927     -9.43919448
  H     12.64158976     14.25864426    -11.80996620
  H     10.12154292      8.94361471     -8.41974791
  O     15.15215164     12.29036967    -11.35932889
  H     15.29146043     13.66685457    -10.21240856
  H      9.61291419     10.34302475     -8.78321744
  O     10.97898010      9.89199285    -15.16822986
  H     16.09250373     14.81127363     -9.55520608
  H     12.77410527     12.37638865    -13.87618021
  O     10.65078938     11.98380411    -11.39076581
  H     10.06148060      7.50854285    -11.42859901
  H     13.84901472     11.38306151    -14.34961324
  O      9.42268360      9.40395454     -8.89865232
  H     11.43155128      8.18049473    -11.25524900
  H     16.35058027     10.97260619    -14.40848378
  O     12.92468001     11.62971133    -14.47046568
  H     10.82000303     13.73786275     -8.29740995
  H     15.50757638     10.03128476    -13.51506421
  O     15.62939351     10.96008870    -13.78493150
  H     10.44525640     15.09010682     -7.65157661
  H     13.57526915     10.58356139     -8.45390223
  O     12.95923800     10.86447233     -7.76228735
  H     15.25005956      8.02825738    -12.16901173
  H     13.24731649     11.74334452     -7.47527006
          69
 Energy    -249.64619758343966     
  O     13.93225623      8.36882137     -9.20696505
  H     13.77931986      8.98186748     -9.94737608
  H     13.92772840      8.30601725    -15.78571031
  O     15.27023350      4.90412688    -14.39325728
  H     13.37393913      8.65821543     -8.49014428
  H     17.36036549     10.75824128    -14.32405976
  O     17.18275530     10.69178233    -10.94523260
  H     15.53179610      4.71413575    -13.47957224
  H     16.18331013     10.03396387    -15.01119496
  O     18.79539505     10.10424268    -13.27860980
  H     16.04786802      5.28509355    -14.81177013
  H     14.87432455      7.16856881    -12.20530697
  O     11.38398272     11.77678429    -14.46499590
  H     16.48890062     11.25755999    -11.30431120
  H     14.84678074      8.70416162    -12.23337879
  O     16.01506915      4.64032010    -11.74217454
  H     17.81756049     10.58386054    -11.66227558
  H     13.02596989      6.22496443    -11.47129094
  O     11.86120699      9.27043117    -13.45298446
  H     19.74438647     10.19425956    -13.31543570
  H     13.82307225      6.79471702    -10.25740664
  O     15.13290517     11.96117323    -12.49558555
  H     18.60533180      9.16232290    -13.13347407
  H     11.97628917      6.15135338    -13.46080424
  O     14.60609421     12.53152482    -16.07039826
  H     11.66998712     11.53296348    -15.35438723
  H     11.58832828      7.49386868    -12.81093574
  O     12.73533641      5.54395516    -15.11016373
  H     11.98204828     12.47896897    -14.18276238
  H     17.04674070      7.70579957    -12.71963797
  O     15.63225991      8.33836671    -15.30889323
  H     16.75027607      5.05669555    -11.28107461
  H     18.23630589      7.00183200    -12.04333325
  O     12.96489647      8.23289685    -15.87005104
  H     15.21355034      5.01598237    -11.34683185
  H     18.39951441      5.98110585    -15.71272077
  O     16.49565566     10.90456961    -14.72623893
  H     12.25888586      8.89617072    -14.24935975
  H     17.85785763      6.68125152    -14.44375781
  O     15.26410624      7.93625586    -12.64136091
  H     11.55439699     10.15521236    -13.69997086
  H     18.66752714      5.82964481     -9.72790344
  O     13.84968316      6.14244973    -10.96677034
  H     14.55278411     12.65579836    -12.83025795
  H     17.63303893      6.94015940    -10.03027012
  O     11.71186109      6.55452707    -12.62446947
  H     15.58486702     11.59387194    -13.26872502
  H     12.62215039      9.82911232    -16.62248871
  O     17.99008224      7.50537468    -12.82985369
  H     15.34912898     12.01297687    -15.73442069
  H     12.09843562     10.71247271    -17.77375728
  O     17.61140570      6.35124081    -15.32401449
  H     13.97488651     11.90452785    -16.44511273
  H     16.94580875      9.18031623     -9.93871141
  O     18.11477082      6.18483753    -10.41783780
  H     13.64321806      5.30274994    -14.85102726
  H     15.84419809      8.31891525     -9.28250784
  O     12.52131468     10.74818824    -16.91887225
  H     12.34818108      4.76355091    -15.49835326
  H     13.38270893     14.66228233    -14.00245450
  O     16.78411830      8.33607274     -9.49305751
  H     16.30662956      7.69558743    -15.55629314
  H     13.87470659     13.38813427    -14.73269822
  O     13.45177397     13.71519333    -13.91741107
  H     15.41033730      8.15194828    -14.38060243
  H     12.97018490      9.68078040    -12.10664678
  O     13.65262232      9.89000267    -11.45239564
  H     12.76293663      7.29979772    -15.72544483
  H     14.10914442     10.68865018    -11.74830376
          69
 Energy    -249.64606101824000     
  O     14.59261717     12.12835175    -13.47528512
  H     13.83934175     11.51176464    -13.49722528
  H     19.61341493      6.57252923    -14.08105002
  O     16.30232611      5.86573422    -14.78693457
  H     14.28670002     12.92134979    -13.04357831
  H     18.81501677     10.43982041    -16.35653753
  O     18.44004277      8.64007565    -11.74148578
  H     16.99163184      5.82412684    -14.10886551
  H     17.87569220     11.40045546    -15.61626779
  O     18.43225027      8.96045591    -17.40944756
  H     15.45759641      6.01428516    -14.34001387
  H     17.44649427      8.77155727    -15.70926793
  O     16.10306960      8.04543141    -18.80827250
  H     19.14734738      9.00535244    -12.28757162
  H     16.64554076      7.62920307    -15.00826722
  O     14.78640413      7.28094122     -9.30105028
  H     17.65538189      9.16252715    -11.96418453
  H     13.00348823      9.68044864    -12.67505798
  O     13.92677188      6.57222206    -13.51113676
  H     18.96620595      8.15613293    -17.43888618
  H     12.50959207      9.60196368    -14.12658289
  O     16.26654004      9.97621569    -12.74302768
  H     17.67337073      8.80026306    -17.98284477
  H     16.45303595      4.64944441    -10.92928215
  O     19.73420400      6.46579750    -17.29539490
  H     16.33782797      7.20343746    -18.37574279
  H     17.51704238      3.64471450    -10.42267602
  O     14.77902258      5.09619653    -11.17783540
  H     16.00206290      7.86001513    -19.73767926
  H     13.29384226      8.61750761    -15.98076409
  O     16.95584214      5.83089232    -17.50499616
  H     14.52327044      7.33426623     -8.38659543
  H     11.86437514      8.03467115    -16.05800120
  O     20.18708369      7.02675295    -14.71232734
  H     15.76040269      7.28967739     -9.31714260
  H     20.99376648     10.20182392    -13.54741304
  O     18.76499900     11.02194542    -15.58583599
  H     14.01643353      7.27040620    -12.84494784
  H     19.65677487     10.21524528    -14.31776722
  O     16.75458148      8.58716502    -15.06340733
  H     13.39089727      6.96177083    -14.21183664
  H     18.10531057      5.45134692    -12.16792083
  O     12.65489293     10.21858677    -13.40030606
  H     16.45948494      9.54967052    -13.59329940
  H     18.29171026      6.96073445    -12.48400781
  O     17.40288907      4.53425999    -10.74504562
  H     15.82577303     10.81142269    -12.93659287
  H     17.60446490      6.23881713     -9.84540879
  O     12.58814274      8.19955068    -15.45868716
  H     20.51315905      6.08852274    -17.69421647
  H     17.91310542      7.71666967    -10.18548011
  O     20.19262040      9.70292412    -13.68615836
  H     19.94492902      6.61713127    -16.35552445
  H     15.54944772     12.04129070    -15.10088914
  O     18.30011452      6.07607925    -12.87712070
  H     14.39351489      5.42272053    -11.99906556
  H     15.54058682     11.14293231    -16.34134512
  O     17.48035782      7.14524538     -9.53734108
  H     14.62805389      5.78270919    -10.51526672
  H     14.92599329      9.07903916    -11.95067187
  O     16.06730580     11.80492230    -15.88057700
  H     17.91763411      5.90779139    -17.46520640
  H     14.30390133      8.25755861    -10.77490106
  O     14.12767741      8.61893359    -11.65126716
  H     16.66202158      5.71055817    -16.59149476
  H     15.37507047      9.12417326    -16.07350123
  O     14.71751390      9.34976261    -16.75035816
  H     20.26083887      7.93741453    -14.40289054
  H     15.05692441      8.96694077    -17.56955219
          69
 Energy    -249.64603085440729     
  O     21.01592045     12.14223077    -18.78633833
  H     21.41817155     12.91506806    -18.34856011
  H     17.86283731     12.68792844    -18.86824395
  O     16.17138564     17.55789222    -14.68047271
  H     21.66762431     11.79423789    -19.38819616
  H     14.81076606     11.58428867    -13.90035500
  O     22.51351282     14.52247122    -14.70056907
  H     15.75096727     18.41277511    -14.72548539
  H     15.30077829     10.33992625    -14.69323531
  O     14.10444582     13.30333527    -14.11064809
  H     16.15287401     17.19301768    -15.58298878
  H     20.67218747     16.73535980    -15.67699621
  O     17.02543923     11.70222143    -17.53330184
  H     22.03390234     15.37024168    -14.66504215
  H     20.27105097     16.90420464    -14.20254026
  O     17.49526091     10.21169413    -12.45733223
  H     23.33072264     14.64849121    -14.22651546
  H     18.26686837     11.87201472    -12.12952504
  O     15.93727263      9.43068859    -16.27405321
  H     13.16348664     13.45496860    -14.14620159
  H     19.35474832     12.74000829    -12.78173779
  O     21.94589002     14.29871266    -17.48893492
  H     14.49074667     14.05575354    -13.62700860
  H     18.92986899      9.83858690    -15.48165087
  O     19.75348195     15.99396454    -17.16280135
  H     16.58425802     12.44405699    -17.09209313
  H     18.22056530      9.56133441    -14.12860164
  O     15.27088429     15.43554654    -12.95784824
  H     16.57692652     10.90046175    -17.24084475
  H     15.87528142     15.49195532    -16.90155802
  O     20.32149319     12.79864872    -14.32622074
  H     16.64257524     10.40925366    -12.88568233
  H     16.64086863     16.36583905    -17.90427278
  O     18.43225504     13.27252344    -19.38619368
  H     17.31658228      9.56647343    -11.77781586
  H     17.77469857     17.18351583    -13.81662758
  O     15.20906248     10.71056384    -13.80712400
  H     16.79559458      9.25997362    -15.84385521
  H     18.28680525     16.29493085    -12.63935783
  O     21.03596563     16.79764850    -14.78305857
  H     15.61979913      8.59187089    -16.59725915
  H     17.67891621     15.17636803    -10.44896052
  O     18.69903968     12.73248667    -12.07128195
  H     22.30319117     14.31096358    -16.59415752
  H     17.99775036     14.23169128    -11.63136968
  O     18.33822779      9.22554439    -15.02588702
  H     21.21273615     14.93074263    -17.48151095
  H     18.70693313     11.46068968    -16.82016346
  O     16.05363500     16.41253571    -17.14169188
  H     19.23143471     15.46284700    -16.54378411
  H     20.17751133     11.43689444    -17.27934220
  O     18.56340403     16.78089720    -13.42790644
  H     19.19486812     16.12418391    -17.93716255
  H     18.41587492     15.32141576    -14.54953188
  O     17.61559478     15.09737879    -11.39681631
  H     16.02575261     15.29446135    -12.37259070
  H     19.01308278     13.92647088    -14.87040725
  O     19.60693892     11.26684250    -16.52001789
  H     15.50334118     16.17377157    -13.53350431
  H     17.88957285     16.27509356    -20.16741012
  O     18.36565587     14.57970851    -15.16561484
  H     20.18718757     12.21967605    -15.08997506
  H     18.06846177     14.97695792    -19.34820787
  O     17.91370190     15.93655184    -19.27659623
  H     21.13657296     13.29970814    -14.45383702
  H     15.29050016     13.61762439    -15.49311756
  O     15.94389607     13.80771648    -16.17568322
  H     19.32284808     12.91517526    -19.29321306
  H     16.77393704     14.06134061    -15.73892101
          69
 Energy    -249.64586491154540     
  O     -1.01240694      3.68333372      2.68606435
  H     -0.53602701      2.91641166      3.02616894
  H      0.90915587      1.25936825      0.42826437
  O     -2.94134723      5.71798206     -0.43631560
  H     -1.65495796      3.37794898      2.03079884
  H      0.08331861      4.67569727     -2.39778671
  O      1.67328648      7.56459833      1.92551001
  H     -2.93037939      6.30119847      0.33262762
  H     -0.25425444      3.51878737     -3.35652863
  O     -0.47026731      6.14474534     -1.54403909
  H     -2.13880046      5.92806705     -0.93750687
  H      0.92419857      9.35972309     -2.17383062
  O      2.46424962      4.36808579     -0.84371631
  H      1.93948318      7.16539468      2.76211672
  H      0.41056961      8.79960841     -0.82436242
  O      0.49062949      5.23815515      0.86519740
  H      2.36298035      7.43355580      1.25741505
  H     -2.03991069      1.42813260     -3.23607160
  O     -2.56706600      7.42187765      1.80793896
  H     -0.17458586      5.85844690     -0.66427745
  H     -1.43839326      0.98104545     -1.89685336
  O     -0.31797329      1.97310927     -0.71930732
  H     -0.03921059      6.98957471     -1.72099000
  H      1.92008404      2.95285683      3.62029717
  O     -1.01784683      6.23433587      3.72036197
  H      1.79080955      4.61330905     -0.18736224
  H      3.02136403      3.42724538      2.65636876
  O     -2.59219778      3.11549638      0.51478448
  H      1.97883072      4.11085005     -1.63603063
  H     -3.67027072      4.75046152     -1.92476250
  O     -0.37325676      8.94332836      0.71299553
  H      0.80443800      6.03421869      1.31427903
  H     -4.16590640      3.30850098     -2.14006173
  O      1.52478871      0.97293498      1.11809154
  H      0.03617506      4.68782666      1.51274889
  H     -2.11127178      3.20644646     -5.13902394
  O      0.40391595      3.81780529     -2.71742571
  H     -3.25830777      7.90001118      2.26030084
  H     -2.56498886      3.50536350     -3.69161896
  O      0.89085809      8.56967839     -1.64186096
  H     -2.01057420      7.02672859      2.50201597
  H      0.91309387      1.26635427      2.69235289
  O     -2.15151611      0.78906248     -2.52095880
  H     -0.00654088      2.60059454     -1.38508916
  H      0.50598496      0.80782239      4.11601220
  O      2.54908410      3.66721361      3.46214068
  H     -1.06084733      2.39310197     -0.26539454
  H      2.28015018      6.29721534      5.15297574
  O     -3.83150939      4.08560266     -2.60547466
  H     -0.10321103      6.33665728      4.00214866
  H      2.12621998      5.26047381      4.01797386
  O     -1.87141729      3.07765571     -4.22511120
  H     -1.10941810      5.29849832      3.48544084
  H      4.65826243      2.65517764      0.78942362
  O      0.60037152      1.57731943      3.56237116
  H     -2.72638766      4.02251473      0.20340090
  H      3.37716258      3.34851177      0.27439762
  O      1.86696850      6.15376304      4.30582309
  H     -3.26386426      2.57107041      0.08717947
  H     -5.03521731      1.02059976     -1.09544841
  O      3.73539212      2.79350817      0.98727011
  H      0.33977435      8.57758118      1.25943020
  H     -3.60689567      1.24150842     -1.65218333
  O     -4.33005316      1.65914736     -1.15018111
  H     -1.17926423      8.50832779      1.01064765
  H      3.03540780      6.23119165     -0.67806624
  O      3.10337502      7.15063076     -0.39412742
  H      2.33248367      1.48702297      1.00134123
  H      2.46308477      7.64322224     -0.92354842
          69
 Energy    -249.64576922874323     
  O      0.48874547      0.65132251      2.79938768
  H      1.07113719      0.22741010      2.15130969
  H     -2.29561421      3.22480532      0.66097142
  O     -2.25411848     -0.00452242     -3.54144309
  H     -0.42437218      0.47184352      2.53155327
  H     -2.64292943      2.15582036      4.92725848
  O     -0.58814315     -0.64745580      5.01473763
  H     -2.10021005      0.36222934     -4.40836561
  H     -2.44169534      1.97359903      6.44857160
  O     -4.15648460     -0.17181734     -1.45294400
  H     -1.54320754      0.32618407     -2.96693146
  H      0.63038227      2.35898263      2.07760292
  O     -1.67804383     -2.71394278     -2.63848433
  H     -0.02432409     -0.22629632      4.35023655
  H     -0.22461640      3.50477776      1.47997784
  O      0.19333467     -1.83465370     -0.78947439
  H     -1.17607860      0.05180853      5.32073818
  H     -3.23699433      1.16260974     -0.60481544
  O     -3.29382876      3.14812531      3.62602792
  H     -3.68222735     -0.08281809     -2.28831637
  H     -1.72363213      1.45086037     -0.66073100
  O     -4.14022581     -2.78736181      3.64083854
  H     -3.90173490     -1.03500348     -1.09171374
  H     -2.85078113      0.08150232      2.69140597
  O     -0.37433381      0.74182494     -1.64935550
  H     -2.37358362     -2.85876948     -1.98275439
  H     -2.39538497      0.68979608      1.31782265
  O     -5.69452754      1.84089801      2.72747136
  H     -1.92123400     -1.90463250     -3.10228221
  H     -2.73489685     -2.67838665      0.21491273
  O     -4.14823367     -0.06662969      4.08325248
  H     -0.29635221     -2.25177971     -1.51210409
  H     -4.26406620     -2.84450837      0.11171975
  O     -2.06156354      3.98611568      1.21896500
  H     -0.25213125     -2.10882533      0.02536023
  H      1.57386363     -0.95027385      0.16171893
  O     -2.43276640      1.50300609      5.61918513
  H     -2.81611086      3.50044715      2.86586258
  H      2.14176585      0.48027061      0.18163224
  O      0.66105495      3.12618161      1.48822661
  H     -4.12745916      2.80607147      3.27967203
  H      2.56674786      2.72705564     -1.01582930
  O     -2.54279904      1.70789044     -0.21257954
  H     -3.22783411     -3.03463742      3.82671031
  H      1.44283236      2.59333358      0.04103705
  O     -2.14618112      0.09425606      2.03388882
  H     -4.20829521     -1.85321818      3.88847526
  H     -1.07001788     -2.25590210      4.48252625
  O     -3.47260448     -2.66830750     -0.41174550
  H      0.39895908      1.29086360     -1.46797924
  H     -0.86644586     -3.77662827      4.65389585
  O      2.04429073     -0.31531670      0.71751267
  H     -0.17436777     -0.14677592     -1.31788458
  H     -1.25702690     -2.85425349      2.26416547
  O      1.82510827      2.18689110     -0.75847612
  H     -6.57093512      2.18440768      2.88132408
  H     -1.66006810     -1.53087597      1.59471288
  O     -1.33008374     -3.12665842      4.13266839
  H     -5.76995653      1.21614594      1.98353124
  H     -6.33405373     -3.44366443      1.48765245
  O     -1.37046479     -2.43727739      1.40341455
  H     -4.78661787      0.56182214      3.72348838
  H     -5.09221325     -2.86368126      2.20573884
  O     -5.62374155     -2.81529348      1.39019618
  H     -3.62645137      0.40175542      4.74815644
  H     -5.85557850     -0.95748586      1.03723956
  O     -5.85804644     -0.02547189      0.78544241
  H     -2.31182207      4.76968614      0.73526877
  H     -5.42192710      0.01497086     -0.07451529
          69
 Energy    -249.64516482843646     
  O     -2.14219747      4.26342102      3.13256211
  H     -2.51099760      3.84557458      2.33421895
  H      0.80323204      7.09435137     -3.10952678
  O      1.53932785     10.56988644      1.16079683
  H     -2.48782686      3.78331957      3.88052570
  H      2.24957414      1.83405737      1.08838269
  O     -0.96886223      8.97368256     -1.30864784
  H      0.69138127     10.92166778      0.86167021
  H      1.29386696      3.04404965      1.19666281
  O      1.07047781      9.55381272      3.63622323
  H      1.69802812      9.78261469      0.62206359
  H     -0.90260489      4.23080166     -3.49126344
  O     -1.66930519      9.80672007      2.79743726
  H     -1.10590463      9.78713211     -0.80871495
  H     -1.00419235      2.82614308     -2.82069945
  O      1.43413172      8.10886645     -0.21747540
  H     -1.62227517      8.32994432     -0.99546049
  H     -1.72776713      1.22033678     -1.57065647
  O     -2.58598119      6.97963972     -0.31697065
  H      1.32127376      9.98652420      2.79955124
  H     -2.98791792      1.90603855     -2.14688370
  O     -2.02529669      7.03435910      2.43917426
  H      1.60283286      9.94694305      4.32199399
  H      2.00105159      3.29329482     -1.01538784
  O     -0.92748305      4.82815217     -0.46007046
  H     -1.98264251      8.89405384      2.75271673
  H      1.26161936      3.66383771     -2.31922660
  O     -2.83721746      3.21819321      0.73786047
  H     -0.81188346      9.76756711      3.23944588
  H      0.74410288      5.32277252      2.16295802
  O     -0.99187981      1.08690511      0.12406809
  H      0.59381139      8.39110152     -0.60757847
  H     -0.34661857      4.27173370      2.47856147
  O     -0.04101757      7.41119410     -3.45083856
  H      1.87675663      7.55710865     -0.87336366
  H     -5.41946290      2.71613491     -1.69591009
  O      1.60107396      2.33887713      0.60269877
  H     -1.97057694      6.24267531     -0.46606274
  H     -4.33918249      3.81904937     -1.79423571
  O     -0.43748615      3.60641096     -2.92277349
  H     -2.60445203      7.09409969      0.64079558
  H     -2.00414115      5.71567154     -5.23274671
  O     -2.12927330      1.54271298     -2.39130858
  H     -2.21172202      6.15106428      2.77661228
  H     -1.21866211      6.29942943     -4.03367044
  O      2.05252770      3.85838006     -1.79355719
  H     -1.06290516      7.07563623      2.33436677
  H     -3.25204545      5.50401315     -3.01814715
  O      0.48670949      4.40240865      2.00916949
  H     -0.25072651      4.69896414      0.21201297
  H     -3.62419874      6.05821217     -1.62575030
  O     -4.51765968      2.91962275     -1.46420994
  H     -0.65395668      4.39752058     -1.28066581
  H      1.04714005      7.42259361      1.37116522
  O     -1.86100313      5.61502581     -4.29539870
  H     -2.20814485      3.78367179      0.26369155
  H      0.96087733      7.84620192      2.86144607
  O     -3.89268719      5.42211563     -2.30035640
  H     -3.54590055      3.03468994      0.10929835
  H      3.24263143      6.58198944     -2.74756882
  O      0.79147792      7.11594906      2.25457238
  H     -0.10996078      1.45455753      0.25139034
  H      2.32569818      5.54504930     -2.06220715
  O      2.42811439      6.49277637     -2.25919959
  H     -1.61058556      1.73420088      0.48486932
  H     -1.68308887     11.95865903      0.44623710
  O     -1.19346686     11.14093816      0.47255318
  H     -0.36526082      8.06761796     -2.81998784
  H     -1.44390229     10.68944451      1.29848032
          69
 Energy    -249.64500396683110     
  O     16.52253934     10.11473637    -13.95396983
  H     17.22443028     10.74148485    -13.71615743
  H     15.47384854     11.66341901    -14.10998407
  O     16.78339561     13.40939903    -16.42149647
  H     16.92489949      9.52793006    -14.60489380
  H     19.77026890     11.75119740     -9.33414762
  O     20.08373612      8.40656773    -13.69173311
  H     16.39274733     13.61914629    -17.26600912
  H     19.59066186     13.23506982     -9.69415987
  O     20.42194350     14.42403964    -10.93459139
  H     17.35175583     12.63041102    -16.56310167
  H     21.86083777     15.70171719    -15.15764420
  O     15.46102201     13.86297435    -11.75419218
  H     20.59395802      9.22891100    -13.74819976
  H     20.34772001     15.86539675    -14.90248340
  O     21.06390828     10.31298487     -9.69169054
  H     19.94110303      8.25365739    -12.75255050
  H     21.49105416     13.00378756    -11.29466741
  O     16.55763873     11.81405741    -10.02451154
  H     19.60369284     14.44884147    -11.45293518
  H     21.87025163     11.57416696    -10.83508888
  O     18.25048835      8.70026835    -15.67394122
  H     20.95854117     15.16948605    -11.22966687
  H     16.80894939      9.55693986    -12.14306188
  O     20.76587304     12.77314780    -15.72891736
  H     14.66310599     14.34744226    -11.56149156
  H     16.88206611     10.27687764    -10.75342135
  O     22.03816648     16.38784004    -12.13810367
  H     15.31883663     13.41504835    -12.60792576
  H     18.48577251     10.45064199    -16.41237266
  O     21.15111410     10.93936823    -13.71160356
  H     20.57891408      9.57665052    -10.09458186
  H     19.39416719     11.70933673    -16.49565147
  O     15.24365197     12.60111324    -14.14765947
  H     21.49452956      9.96199141     -8.91473149
  H     23.35699936     14.18068262    -14.67445370
  O     19.15011391     12.48565593     -9.27417881
  H     16.16108752     12.53023889    -10.53170883
  H     23.92300260     14.36583669    -16.10305109
  O     21.20946594     16.26353270    -14.72032151
  H     17.40887965     12.13454192     -9.68939393
  H     18.60028568     14.64879884    -14.12486388
  O     22.08827116     12.26169157    -11.47528368
  H     18.90937920      8.53875026    -14.97546249
  H     18.12671370     14.42162337    -15.57935566
  O     17.23972254      9.54233840    -11.27952951
  H     18.24128404      7.92336789    -16.22651709
  H     23.21229231     14.93239382    -12.58716300
  O     18.52523578     11.35917166    -16.73137695
  H     20.11982820     13.44276416    -15.46122325
  H     23.25983219     13.40284855    -12.41975169
  O     23.11041108     14.28926643    -15.61081671
  H     21.61033803     13.23129281    -15.82372822
  H     18.67364282      8.66948895    -10.94913689
  O     18.87150521     14.73236444    -15.05087703
  H     21.69679921     16.41677900    -13.05016234
  H     19.39354873      7.38471870    -10.47531778
  O     23.61292805     14.13075885    -12.94701856
  H     22.28099161     17.28005395    -11.90629895
  H     19.46941920     11.29680033    -13.10066847
  O     19.54897836      8.25643600    -10.83061564
  H     21.58378611     11.39778435    -12.97863770
  H     18.32034940     11.00391847    -12.08151462
  O     18.59678727     11.58178358    -12.80220184
  H     21.08929737     11.55763506    -14.45299369
  H     17.21981975     14.30354708    -12.15050102
  O     18.13415638     14.23108422    -12.44766933
  H     15.70543931     12.94873686    -14.92031087
  H     18.29788917     13.28122954    -12.57445417
          69
 Energy    -249.64455357198329     
  O     11.20501469     10.35784680    -14.90193181
  H     11.02049899      9.73661190    -14.18701697
  H     19.41417656      7.37125690    -13.54578534
  O     16.19756408      6.87214713    -14.43824815
  H     11.66521515     11.11514829    -14.52002231
  H     15.57504106     12.20871164    -15.72983348
  O     16.71307464     10.72090565    -11.33904611
  H     17.02052151      7.10621783    -13.99417655
  H     14.50071288     12.23455256    -16.82498761
  O     16.92932481     10.92794851    -15.39077756
  H     15.57205207      6.56588587    -13.76542680
  H     14.19316146      9.25976524    -15.44136497
  O     12.93686825      6.54775599    -17.07839331
  H     15.81052140     10.78664194    -11.67881984
  H     15.26516524      8.41151675    -14.67746832
  O     14.35805926      7.55402925     -9.15039939
  H     16.67473583     10.17922376    -10.54181303
  H      9.82932087      7.94122103    -12.85813272
  O     14.25960893      6.24149137    -12.57859927
  H     16.19024080     10.34786266    -15.14686077
  H     11.14411530      7.53823275    -13.56859526
  O     14.17360010     10.68342286    -12.48603580
  H     17.58354066     10.83683094    -14.69127280
  H     18.00212602      7.10456002    -11.45761418
  O     16.47224242      9.51222947    -17.82424563
  H     13.90543746      6.63538167    -17.15617516
  H     17.43283386      7.59305452    -10.10378137
  O     15.50003622      5.17540351    -10.31424527
  H     12.65648874      5.96287222    -17.77670426
  H     12.37494944      6.33949037    -15.29263311
  O     15.59026176      6.93247789    -17.17291261
  H     13.76691595      7.88444274     -9.84189661
  H     12.84955268      6.12504083    -13.83092925
  O     18.59777765      7.69183400    -13.16774420
  H     14.62319166      6.66793469     -9.42460902
  H     19.34472221     11.08905272    -12.95950939
  O     14.71942002     12.59547763    -15.95682743
  H     13.86641388      7.03819066    -12.19432004
  H     17.95575486     10.60144442    -12.47489813
  O     14.82322400      9.26932456    -14.71067939
  H     14.62604063      5.73593530    -11.84272383
  H     16.86501997      9.24369555     -8.20527979
  O     10.71534991      8.24030735    -13.04481011
  H     13.68489900     11.43626417    -12.83784443
  H     15.79353487      8.53328018     -9.06395925
  O     17.64732413      6.80158342    -10.61429639
  H     14.41099968     10.14360458    -13.25825273
  H     13.64794055     11.31443349    -19.12849812
  O     12.07697209      6.32444812    -14.37554026
  H     15.75752004     10.06740503    -18.15817576
  H     13.63737823     10.47733205    -17.82742634
  O     18.65035976     10.46337808    -13.14728596
  H     16.83128893      9.99982780    -17.07234370
  H     13.38213692      9.28432294    -11.68662065
  O     16.64729774      9.00058461     -9.10125634
  H     16.32043687      5.68976773    -10.42693456
  H     12.12248932      8.39766693    -11.84674023
  O     14.14552767     11.13538762    -18.33526472
  H     15.74964513      4.33074209     -9.95048309
  H     13.48485411     12.61759101    -14.72170538
  O     12.97704171      8.45286408    -11.40154072
  H     15.93424310      7.79109339    -17.45886607
  H     12.49812730     13.47503638    -13.89733283
  O     12.80967526     12.58240822    -14.01985698
  H     15.92293841      6.78557813    -16.27798379
  H     12.18939128      9.65258162    -16.16246647
  O     12.87377172      9.32819570    -16.76870853
  H     18.64483225      8.66069559    -13.18632410
  H     12.75082827      8.38341991    -16.91650900
          69
 Energy    -249.64452567779091     
  O     12.78516464     12.99546916    -14.33493742
  H     12.45568876     12.15451264    -13.97684245
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  O     12.27096724      7.75747809    -13.65132680
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  H     16.57323903     10.89620645    -11.38313050
  H     13.17762112      6.42263042    -16.37299527
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  H     17.27688411     11.50700409    -12.63550241
  H     15.43678499     10.63382390    -13.13122579
  O     19.03284974      6.38756998    -11.37772566
  H     12.03720317      8.68335319    -13.51061490
  H     14.85260556     10.60715621    -14.57806863
  O     14.61333871     11.65754663    -16.02462055
  H     12.69231220      7.46633858    -12.83285269
  H     14.41115309      8.57719638    -16.97065061
  O     18.28577787      8.64925940    -15.20563010
  H     16.21466061      7.12710953    -12.67930983
  H     14.63800813     10.11066980    -17.02592193
  O     16.52225526      9.42805067    -10.33791183
  H     17.21791137      6.65930939    -11.58115235
  H     13.63984420      8.60994930    -10.11970204
  O     17.55920232      9.71146199    -17.68498602
  H     13.32852056      6.21674246    -10.73066507
  H     13.34760135     10.10779760     -9.85756767
  O     20.21226508      7.74973994    -13.39688969
  H     14.55265118      6.91908048    -11.35184167
  H     21.46259665     10.67695614    -11.72715382
  O     17.30139134     12.12580108    -16.11030169
  H     19.47189505      6.80980127    -12.13861043
  H     20.19668079      9.87800815    -11.33561867
  O     13.62137298      7.14426386    -15.93542195
  H     19.53316420      5.60233472    -11.17286212
  H     13.87625704     13.26963790    -12.68981923
  O     14.89399277     10.11955067    -13.74324398
  H     14.04334956     12.29291556    -15.57804677
  H     15.08027127     12.74180166    -11.86607060
  O     14.89440180      9.27040033    -17.43302020
  H     15.52092315     12.00160705    -16.05015076
  H     13.07247218     12.20347475    -10.88956839
  O     13.89730664      9.36560604     -9.57825037
  H     17.45888482      8.22754432    -14.93293126
  H     11.85895089     12.10736131     -9.93288219
  O     20.67989514     10.26825290    -12.08624362
  H     18.15422433      8.95366535    -16.11218952
  H     18.45823213     10.22629590    -14.26418588
  O     14.21145714     13.16213020    -11.79282161
  H     15.65369275      9.49391889     -9.91514028
  H     19.37517337     10.92953224    -13.24003516
  O     12.40703803     11.59438930    -10.52057950
  H     16.49800062      8.61115219    -10.85377581
  H     13.16737963     10.31212457    -13.26828527
  O     18.60034650     11.06379231    -13.80000661
  H     16.60844972      9.50042369    -17.65197345
  H     12.16100394     10.81665869    -12.19643338
  O     12.23427967     10.53833436    -13.11884903
  H     17.82727922      9.63318339    -18.59636296
  H     15.51287672      8.52625728    -14.08705132
  O     15.85730166      7.65135515    -14.33343798
  H     19.61825542      7.98302872    -14.12379262
  H     15.20464617      7.27821901    -14.93614805
          69
 Energy    -249.64418342375501     
  O     11.42268296      3.32909874    -11.91415861
  H     11.18688294      3.82727534    -11.12197712
  H     19.14249128      5.46383448    -15.93123107
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  H     11.51681565      3.99186448    -12.60922046
  H     17.47508533      6.07050181    -12.36685523
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  H     16.65058705      3.77842639     -9.79872556
  H     18.07012539      5.28961484    -13.55955677
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  H     17.49707657      4.46590441    -10.91145918
  H     10.36353129      8.57748340    -13.93605609
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  H     11.90366816      8.47706451    -13.81503434
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  H     13.99062750      5.47324817    -10.79644905
  O     15.17293053      2.64774563     -9.31338512
  H     15.95970597      9.55016500    -16.55981872
  H     14.60411971      5.01831082    -12.15697208
  O     13.47761694      9.04419211    -14.20892865
  H     16.52320409      8.81172795    -15.32627890
  H     14.43134412      2.50608314    -12.23803391
  O     16.06361517      6.09063082    -16.35447486
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  H     12.98732190      2.40297879    -11.69038895
  O     10.95567912      5.01082136     -9.63834644
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  H     13.76582861      8.55457760     -8.99678805
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  H     17.49678341      7.61964563    -10.76411573
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  H     14.17210451      9.00585857    -14.87494079
  H     16.39504773      8.09627994    -11.73817850
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  H     13.92755217      8.91401800    -13.36094159
  H     15.76038014      7.32206696     -8.48336430
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  H     15.83933357      7.02673693    -16.27611166
  H     14.43009571      6.53888050     -8.44061817
  O     11.16606743      7.50058296    -10.68962846
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  H     11.64364602      6.33680042    -13.68732530
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  H     10.99119504      5.90459703    -10.02543156
  H     12.76325218      5.62029524    -12.89890371
  O     14.82161090      7.41017641     -8.28238398
  H     10.17168278      4.97801340     -9.09665736
  H     14.97275585      3.95810863    -14.10289168
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  H     16.20510676      4.18955809    -13.16178249
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  H     18.30607083      7.62130326    -14.67547412
  H     13.18792764      4.91035872    -14.91827923
  O     13.85107461      4.53150408    -15.51940111
  H     17.65512226      5.83651897    -15.71192429
  H     13.39727827      3.88216001    -16.05174963
          69
 Energy    -249.64407246987071     
  O     -8.98457849      1.36663358      6.76829258
  H     -9.35742810      2.22598327      6.99899729
  H    -11.66441858      1.86446678      2.97797504
  O     -4.70924621      1.76780320      5.31663512
  H     -8.36027456      1.54293086      6.04716598
  H     -5.69567372      1.77920289      1.65743350
  O     -6.40875848     -1.48582215      5.35752860
  H     -5.65439528      1.84387921      5.10831769
  H     -5.41261438      0.40732467      2.32141398
  O     -7.05138464      4.48177120      7.26196132
  H     -4.41293940      0.98218438      4.84217159
  H    -10.29207293     -0.90186054      5.04344365
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  H     -7.28431026     -1.76425481      5.07045405
  H    -10.17713778      0.35531348      5.93965680
  O     -7.36191940      1.94071480      4.61220175
  H     -6.51728622     -1.08036131      6.23029671
  H    -11.75347629      4.72742928      4.33979695
  O     -5.30466772      2.28263136      7.95043719
  H     -8.00190166      4.31740905      7.29152180
  H    -12.77059665      4.55102840      5.47947706
  O     -9.84626409      3.99012168      6.93228173
  H     -6.60060325      3.69653528      7.59318332
  H    -13.25389555      3.34325290      3.61785299
  O    -12.63456421      3.69604953      7.22603689
  H    -12.37905813      0.73851484      5.75931482
  H    -14.18757992      2.59857114      2.63341208
  O     -7.38848067      4.45710181      3.31348268
  H    -13.33348610      1.64281869      4.95554136
  H     -9.15611873      0.75295913      2.52428404
  O     -5.24249192      3.62627552      1.68241878
  H     -7.43502675      2.80654632      4.19153187
  H     -7.64616716      0.42184390      2.12722192
  O    -10.74426205      1.62748883      3.14822339
  H     -7.62855177      1.27606582      3.96503743
  H     -9.15530116     -2.78511659      3.67634715
  O     -5.98785448      0.86078927      1.69155654
  H     -4.97517599      2.09502261      7.05533938
  H     -8.76272957     -1.29087576      3.57480907
  O    -10.77591994     -0.12541859      5.34681831
  H     -4.53785473      2.44475164      8.49514590
  H     -9.15027970      4.39843349      3.74861800
  O    -12.70153317      4.73749960      4.53519032
  H    -10.77519378      3.96994935      7.19344334
  H    -10.20366085      3.26113165      3.79860055
  O    -13.43209990      2.48028694      3.20220337
  H     -9.84692201      4.08296376      5.96755962
  H     -6.26765548      0.59189075      7.97231582
  O     -8.41434543      0.14833028      2.65159083
  H    -13.25715159      3.77591460      7.94369066
  H     -7.70450860      0.27690922      7.57109699
  O     -8.99251478     -2.00361054      4.19866763
  H    -12.80365161      2.83416674      6.80462519
  H     -5.18422584     -0.91563805      4.30406933
  O     -9.99536192      4.14272844      4.13910168
  H     -6.75935118      4.21620235      2.62250283
  H     -3.84379578     -1.20514954      3.58672246
  O     -6.85180597     -0.14218889      7.75169196
  H     -6.91376084      5.01990067      3.94127765
  H     -4.52199987      4.81019631      4.50180257
  O     -4.49459899     -0.52460475      3.73439203
  H     -4.80045800      4.03359713      0.94206173
  H     -4.11255751      3.32380547      4.52493624
  O     -3.99588482      4.14944468      4.03419696
  H     -4.70397458      3.81473388      2.47204066
  H     -6.31743757      5.39076821      6.01310881
  O     -5.93166266      5.85801873      5.24932862
  H    -10.75943850      1.02009903      3.90332206
  H     -5.89994319      6.78232163      5.47988833
          69
 Energy    -249.64405391282531     
  O     15.31354445     11.64805833     -9.47823824
  H     15.86532952     10.84551519     -9.48427257
  H     14.42090685      7.60026592    -13.79816109
  O     12.42300059      5.96884519    -11.88326133
  H     15.64788008     12.20290741     -8.77872830
  H     15.34220828      5.80316902    -14.75687159
  O     17.60361571      9.94980846    -14.71481120
  H     13.09376656      5.36687070    -12.22601581
  H     16.55120094      5.37418414    -15.60692887
  O     17.36320467      8.80476788    -12.20224868
  H     12.03987885      6.42207169    -12.64319048
  H     17.32121154      5.78443767    -13.59082621
  O     16.23869001     12.39031356    -14.40125866
  H     17.25279941     10.84336764    -14.60745534
  H     18.60314669      6.62949111    -13.63200055
  O     13.34740570      7.87891392    -10.13367931
  H     16.96757511      9.48121528    -15.27232725
  H     14.21285090      8.47291331    -11.62400506
  O     15.68481883      8.63937896    -16.35941783
  H     17.52661260      9.29378508    -13.01996265
  H     15.56194879      8.83960506    -12.31917117
  O     14.29165395     10.95046629    -15.94626435
  H     17.58242287      7.88200183    -12.38801263
  H     12.81331337      9.62150841     -9.85137768
  O     17.34636281      6.53194950    -16.96812114
  H     16.53817960     13.27759741    -14.58179524
  H     13.56826774     10.94200012     -9.58530132
  O     11.49578555      7.55122109    -14.17529560
  H     15.74051197     12.43043069    -13.56528583
  H     14.39390242      3.18039730    -12.72763930
  O     16.41812516      5.30989613    -10.86086595
  H     14.06137886      7.51198957     -9.59745412
  H     15.08944925      4.32910165    -13.48512984
  O     14.20413634      7.09787385    -14.59958454
  H     12.95023603      7.15433356    -10.64005982
  H     12.24351132     10.76548525    -13.25155045
  O     16.04747102      5.13658285    -14.82028887
  H     15.13828403      8.07996242    -15.78954541
  H     13.36661818      9.70398089    -13.33206892
  O     17.98202916      6.20220012    -13.02361938
  H     15.21202567      9.48321183    -16.41274296
  H     15.76649196      6.43185852     -8.00208556
  O     14.61307786      8.74075558    -12.46152785
  H     14.90613042     11.53210270    -15.48147142
  H     15.94657541      6.30274482     -9.53336276
  O     12.69996746     10.58039070     -9.80561859
  H     13.62200375     10.70142403    -15.29642067
  H     16.44507382      8.56127398     -9.22586276
  O     14.55621942      4.12126880    -12.70170662
  H     16.77596979      7.31489700    -16.88026616
  H     17.12625929      9.22962946    -10.44136133
  O     12.59675828     10.05792817    -13.80528600
  H     17.48692743      6.40126744    -17.90273905
  H     13.82094250     12.44663219    -12.14422407
  O     15.63485065      6.89471906     -8.82509556
  H     10.64590342      7.57063183    -14.60707452
  H     15.04969635     12.23365510    -11.24496875
  O     16.78821500      9.40150555     -9.55138074
  H     11.77010908      8.47672668    -14.05450316
  H     18.90148958      8.49799203    -14.96420094
  O     14.78266519     12.50802248    -12.13112383
  H     15.74580467      4.85915205    -11.38452991
  H     18.74632751      7.20614052    -15.78169582
  O     19.23970597      7.59767907    -15.05040130
  H     17.10767144      5.57179845    -11.48445444
  H     11.25472569     12.63025875    -11.71833804
  O     11.94515311     12.01599102    -11.94985595
  H     13.24270734      7.10477532    -14.66203649
  H     12.13365694     11.48756972    -11.15149750
          69
 Energy    -249.64379084413514     
  O     17.89019205      4.64904107    -15.36665163
  H     17.74180886      4.00716960    -14.66159800
  H     13.45800820      7.73008825    -17.77222975
  O     12.14009718     10.10678723    -11.17658023
  H     17.02593671      5.04415294    -15.53843022
  H     15.66376756      9.19385265    -11.64694971
  O     16.71101522      8.17770069    -14.50036334
  H     11.79868052      9.24497978    -11.43943336
  H     14.65251189      8.02787553    -11.86784516
  O     20.08553979      6.10379144    -14.61752149
  H     12.52650492     10.49119995    -11.97634483
  H     18.26107461      3.57238056    -12.62765784
  O     11.42071312      7.50823398    -12.28574922
  H     17.61514748      8.24057310    -14.17452675
  H     17.56754693      2.19391952    -12.75161152
  O     17.19253094      7.80106442     -8.89271041
  H     16.13607256      8.39808252    -13.75160643
  H     13.57777270     11.10236275     -8.56846784
  O     13.77284145      6.61705531    -11.08785227
  H     20.76936708      5.99273299    -15.27296167
  H     13.26358599     10.34442795     -9.87728577
  O     17.74947965     10.89515791    -12.77485806
  H     19.30328421      5.62971287    -14.95156341
  H     16.95053471      6.27333146    -11.77088655
  O     14.52063447      7.70755656     -8.64907359
  H     11.65778686      7.83610203    -13.17274383
  H     17.53705382      6.97320999    -10.49709750
  O     15.39842757      5.98142321    -15.32737902
  H     10.52244841      7.19366237    -12.34014172
  H     14.27044627     11.27581779    -13.87248144
  O     15.52888817      9.76512950    -16.41483898
  H     17.64099642      7.63914554     -8.06742395
  H     14.12155557      9.97621683    -13.06904716
  O     13.73720164      7.75718844    -16.86076065
  H     16.23737846      7.70096119     -8.72502143
  H     15.65980142     10.39293924     -9.90540900
  O     15.14534566      8.72653724    -12.31447929
  H     14.27677796      5.97842977    -11.61156508
  H     16.87730313      9.44136074     -9.79081684
  O     17.46662978      3.11818295    -12.96132892
  H     12.92100242      6.77882369    -11.51533878
  H     16.17398040     12.85298083    -14.70753133
  O     13.93035987     10.45810193     -9.17667970
  H     18.33870445     10.14741934    -12.92882304
  H     16.58196062     11.57461935    -13.95057197
  O     17.75050239      6.64490967    -11.37907721
  H     17.40969193     10.78414040    -11.87747981
  H     16.11429269      4.39653808    -12.66418372
  O     13.61173968     10.69659989    -13.47448198
  H     14.22091443      8.62167010     -8.72625862
  H     15.40678516      5.43848404    -13.56003332
  O     16.49869986     10.15301534    -10.32288043
  H     14.18174106      7.24377657     -9.42880868
  H     19.92719596      5.09415120    -12.95787347
  O     15.91005339     11.95091463    -14.54541138
  H     14.72734487      6.36364004    -15.90132567
  H     19.01581140      5.35007938    -11.75013720
  O     15.57383037      5.19595979    -12.63821889
  H     15.94514779      6.73690067    -15.05017522
  H     12.61492472      9.40305381    -14.39378228
  O     19.55596296      4.66832608    -12.17563844
  H     16.06106393      9.19518251    -15.83897404
  H     12.63808100      8.24113298    -15.41160435
  O     12.17552385      8.57638369    -14.63557470
  H     15.56088237     10.62237051    -15.97850414
  H     18.66892189      7.81466955    -12.45620255
  O     19.11042350      8.33000787    -13.14879457
  H     14.34120744      8.51736073    -16.77900672
  H     19.60288953      7.68633781    -13.67464235
          69
 Energy    -249.64331596479695     
  O     -5.48651616      3.94316629      1.31966896
  H     -5.02785478      4.48248561      1.98876700
  H     -2.93410103      4.61938249     -3.58292099
  O     -3.19701021     -2.31936405      0.48104945
  H     -6.42080623      4.03809578      1.48334149
  H      1.02357966     -2.10748471     -2.04206682
  O      0.02334395      4.16103742     -1.70398445
  H     -3.00777117     -1.94608073     -0.39884388
  H      0.22161119     -1.82212691     -0.75073271
  O     -2.59782489      1.52533910     -1.89042839
  H     -3.79989175     -3.04553346      0.34714062
  H     -2.64713434      2.80405833      4.50422875
  O     -0.07357564      0.76694983      5.34232238
  H     -0.82466236      4.21922015     -2.16166209
  H     -2.04035898      3.51446784      3.26404617
  O      1.51013078      4.15262312      2.46091818
  H      0.25902767      3.22536460     -1.70302725
  H     -1.55188480      6.48436092      1.01919417
  O     -1.61858247      3.23943554      1.59003259
  H     -2.65797391      2.38018620     -2.33299710
  H     -2.23838276      7.86486029      1.13484694
  O     -2.94519382      1.05623146      4.84144677
  H     -3.07731050      1.61556831     -1.05290640
  H     -4.47842911      2.45809734      0.87313541
  O     -2.45293372     -1.27102983     -1.90951694
  H      0.37776613      0.44488446      6.11935143
  H     -3.61183311      1.17983582      1.20744567
  O     -2.97845709     -0.16144629      2.26145459
  H      0.14287924      1.70905780      5.26564262
  H     -3.47079592      6.04108673      2.49883923
  O     -0.21003008     -0.30619007      2.73126744
  H      1.47329460      3.29739475      2.00980027
  H     -3.47703098      4.93410962      3.58219195
  O     -2.62676327      4.18816006     -2.79010833
  H      1.19411006      3.98125757      3.35435195
  H     -0.78674167      1.37801314     -1.59823381
  O      0.40529393     -1.49673728     -1.65027616
  H     -1.26929041      4.02471765      1.15012686
  H      0.38552052      0.37508833     -1.61893340
  O     -2.27650592      3.64452573      4.19724025
  H     -2.35833452      2.88214820      1.08462834
  H     -0.62964082      3.68047025      4.81276732
  O     -2.40380146      6.92670466      1.18059522
  H     -2.05237814      0.81075441      5.11138342
  H      0.49213585      4.19671532      5.74355635
  O     -3.78586891      1.86855136      0.54960908
  H     -3.11509867      0.57776043      4.01914463
  H     -3.40521755      5.92259096     -0.08076740
  O     -4.05113545      5.47894940      3.02727492
  H     -1.49950014     -1.40274975     -1.97838473
  H     -4.49725461      4.83556878     -0.08386114
  O      0.17204399      1.30624862     -1.48169703
  H     -2.59721512     -0.32258561     -2.02973814
  H      0.63728330      1.58418991      0.25995663
  O      0.29773808      3.54332939      5.07557396
  H     -2.01966898     -0.16833525      2.39632295
  H     -0.13779668      2.26552096      1.40496230
  O     -3.86456000      5.29257229     -0.64932279
  H     -3.17602065     -0.93894990      1.72322536
  H     -0.19200466     -1.73759068      1.55520389
  O      0.67501237      1.77354514      1.20654337
  H     -0.08937564     -0.04592985      3.65096756
  H     -1.28825417     -2.49081349      0.77893134
  O     -0.33448002     -2.35213072      0.82254112
  H      0.20356389      0.38379987      2.18997578
  H     -0.00960142      5.07970054     -0.18864182
  O     -0.18486734      5.45924620      0.68657894
  H     -3.09610743      4.60257314     -2.04397529
  H      0.48901827      5.13663398      1.30204405
          69
 Energy    -249.64299852363206     
  O     20.01374681     12.08424643    -19.01463572
  H     20.71055792     12.50180483    -18.47784823
  H     20.17827426     15.47328742    -16.77909678
  O     18.50149732     17.62931556    -14.62426328
  H     20.44618598     11.70140668    -19.77347294
  H     14.45585864     13.32129888    -14.05511083
  O     22.20832711     12.90680888    -14.63475960
  H     18.09359154     17.81980176    -15.47866512
  H     14.49752285     11.80930173    -13.76663968
  O     15.79272790     14.63421686    -13.77851975
  H     19.46481633     17.68876846    -14.71633616
  H     18.23977848     12.45747603    -13.61730395
  O     16.06910971     12.92020609    -17.86049855
  H     22.94210017     12.43638050    -14.24613277
  H     16.99512601     11.85878041    -12.90600444
  O     15.78297918     10.48929283    -13.19512943
  H     22.05694029     13.69214554    -14.08461633
  H     15.29635397     10.30069739    -16.24614956
  O     13.89515695     11.52105467    -16.78228397
  H     16.06528400     15.42182157    -13.29302897
  H     16.83637239     10.21311265    -16.29637375
  O     21.88314677     13.32937852    -17.49159064
  H     16.41812128     13.93837147    -13.52703545
  H     16.39431694     18.37464228    -17.37903120
  O     17.06163658     16.81567780    -12.49241315
  H     16.79538198     12.34682534    -17.57566113
  H     16.64598647     16.92149252    -16.91455761
  O     19.45276000     12.44169552    -14.92363060
  H     15.25276970     12.46209463    -17.62612442
  H     22.14780289     15.42761223    -12.29420716
  O     18.09349979     14.21284324    -19.42432276
  H     15.92796760     10.20629031    -14.11633496
  H     20.71615909     14.99857827    -12.68146475
  O     20.86748479     15.89024129    -17.31667651
  H     15.59498443      9.70234706    -12.69110652
  H     21.25156874     16.90152555    -15.79965064
  O     14.00470041     12.48876593    -14.24395284
  H     13.85878042     11.91387517    -15.89158316
  H     21.41875585     16.55910290    -14.30229022
  O     17.56732398     12.63480817    -12.94255866
  H     12.99737097     11.32467985    -17.03509495
  H     18.44093622     15.54791878    -12.08877129
  O     16.05916403      9.88776523    -15.82284747
  H     22.08953956     13.15075792    -16.56872976
  H     18.60230397     14.02473387    -12.22524538
  O     17.07226645     17.78401561    -17.05942617
  H     21.66744226     14.27303487    -17.53436951
  H     18.78974725     11.39809266    -17.80772830
  O     21.62315925     15.10095715    -13.02178860
  H     16.79318660     17.54543695    -11.94075369
  H     18.63163142     11.59361758    -16.28603618
  O     21.18317318     17.27125492    -14.90738137
  H     17.56046169     17.19347779    -13.23917148
  H     17.92974603     14.97350798    -16.09678490
  O     19.09643705     14.84110877    -12.07414619
  H     19.23833537     13.35085197    -15.19259867
  H     18.81607420     15.77209054    -15.13225192
  O     18.18007343     11.25528767    -17.07233758
  H     20.40794444     12.41407014    -14.80380540
  H     18.35334547     17.23447273    -18.46505840
  O     18.79274213     14.96786552    -15.66388231
  H     17.29212160     13.81569601    -19.06514530
  H     18.63727257     15.94961985    -19.27372597
  O     18.98891645     16.82923172    -19.06409482
  H     18.77350767     13.53246645    -19.35403651
  H     16.02363498     14.48187148    -16.99610951
  O     16.13185554     15.28255294    -16.46440494
  H     20.38490030     16.31552659    -18.04023753
  H     15.91964764     15.06343777    -15.54612735
          69
 Energy    -249.64288532269609     
  O     18.24179511      9.39345150    -14.77195009
  H     18.15985511      8.51670235    -15.16593865
  H     14.68872712      4.93051402    -14.12849277
  O     13.10268639      5.60582816    -16.78440589
  H     18.04934784      9.28253412    -13.83042705
  H     13.76618263      8.48299061    -10.58724246
  O     13.45631015      5.38230821     -9.00476683
  H     12.54505974      6.23786719    -16.29408881
  H     13.33183609      7.24996908    -11.45887388
  O     11.66378865      7.32395705    -15.28580592
  H     12.54972058      5.21441599    -17.45550344
  H     15.15118377      7.55483336    -13.92500710
  O     16.82793365     11.44322345    -15.81405610
  H     14.26490021      4.88584356     -9.17563551
  H     15.75868754      8.81873540    -13.30806513
  O     15.48586236      7.11018573    -17.20891974
  H     13.58253441      6.23430537     -9.44923657
  H     18.42838480      6.28691290    -16.35468970
  O     13.70241259     10.25402420    -10.55763070
  H     11.68899755      8.27918820    -15.40757914
  H     16.99600741      6.87508799    -16.38920071
  O     15.76243047      4.00962318    -10.11061410
  H     11.75603782      7.14387305    -14.34108126
  H     13.71059627      9.70159608    -13.39028744
  O     14.72145082      9.67799147    -16.32105259
  H     17.40475864     12.04035473    -16.28221208
  H     12.57491183     10.48411527    -14.07773436
  O     11.50896635      4.49953590    -10.68245210
  H     17.38931521     10.72843088    -15.46050455
  H     14.59636658     11.67107463    -13.43404826
  O     13.80060869      3.16757938    -11.81087501
  H     14.70308231      6.55417346    -17.11181866
  H     15.90652313     11.95093203    -14.21459454
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  H     15.18931668      8.02150752    -17.08902890
  H     11.85321665      5.76432311    -12.05517759
  O     13.87870729      7.53067205    -10.71391401
  H     13.33531464     10.45788360    -11.42893202
  H     12.83219670      5.70263464    -13.24132309
  O     15.01427944      8.50462530    -13.83931741
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  H     11.59873415     10.62237541    -16.53575340
  O     17.79610211      6.78150956    -15.84000045
  H     16.22194237      3.25150325     -9.75958731
  H     12.96537710     10.00370287    -16.15294082
  O     13.13476830     10.47645961    -13.29422313
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  H     16.73360504     12.06735899    -10.44466822
  O     15.45558429     12.11008423    -13.37772831
  H     15.40005666     10.36414990    -16.33100917
  H     16.07249488     11.71646371    -11.80146657
  O     12.29748079      6.31376586    -12.71389646
  H     14.83017835      9.22204241    -15.47031582
  H     16.34220858      6.08634838    -12.88400432
  O     12.03958460     10.10065190    -15.87036498
  H     12.13069873      4.79882296     -9.99454984
  H     16.80543351      6.15077126    -14.39061211
  O     16.34229274     11.35187123    -10.93828466
  H     10.71704887      4.21730406    -10.23359930
  H     17.11717221      8.20643733    -11.68471203
  O     16.08726333      5.89909715    -13.79751618
  H     12.95772117      3.46912855    -11.45055933
  H     17.01002823      9.77048636    -11.63396225
  O     17.24553226      9.01824338    -12.19257339
  H     13.81461454      3.47140303    -12.72827875
  H     16.37086848      5.68698843    -10.71184877
  O     16.41435785      6.56285249    -11.11465138
  H     13.56500387      4.72058540    -15.17370072
  H     15.53988888      6.96004647    -10.96872013
          69
 Energy    -249.64277720041662     
  O     -0.40639218     -0.75683009      2.27993903
  H      0.39064751     -0.22012849      2.44185470
  H     -4.26732338      3.82463269      1.74201874
  O     -2.69874387      1.58156865     -3.37905650
  H     -0.21599674     -1.63233640      2.60521968
  H     -3.18062441      4.49167180     -2.15318821
  O     -2.43952435      4.21765132     -3.91140931
  H     -3.16004049      1.52125883     -2.53142632
  H     -3.41831428      3.47327334     -1.01729424
  O     -4.67837002      1.93824709      1.85581118
  H     -1.90067088      1.04799057     -3.28519798
  H      1.97417886      3.93272702      3.54892823
  O      0.15881886      4.65224947     -2.86939828
  H     -2.85823000      4.44934630     -4.73602100
  H      2.26964323      3.42258548      4.97910398
  O     -1.98770635      5.59562369      3.28644007
  H     -2.53532694      3.25335650     -3.80717661
  H     -0.54860384      3.85810921      0.43895289
  O      1.79692685      0.80160027      2.59739015
  H     -3.93615489      1.55444986      2.35743676
  H     -0.56062031      3.06549361      1.78726562
  O     -0.34212124      0.11056300     -2.68924751
  H     -5.47768705      1.67611423      2.30444022
  H     -2.73505454      1.21078642     -0.45048569
  O      2.25498269      2.28605052      0.24061976
  H     -0.67940663      4.53907145     -3.33408154
  H     -4.07678636      1.70459957      0.12749205
  O      1.53759142      2.21189627     -2.46548310
  H      0.54610233      3.77134339     -2.75754459
  H     -1.90716347      0.27763783      2.93838389
  O      2.15171921      5.22527781      2.40970272
  H     -2.72866686      5.39217382      2.69465637
  H     -2.01525492      1.72767523      3.43431919
  O     -3.99432374      4.73254674      1.56225272
  H     -1.37359113      6.14812032      2.79146178
  H     -0.88595144     -0.02516637      0.65672393
  O     -3.36320676      4.42101983     -1.20893035
  H      2.10241773      1.16082690      1.75419845
  H     -0.80308514      1.44872607      0.19323306
  O      1.82372824      3.19501119      4.16773791
  H      1.84089942      1.53892064      3.21850160
  H     -0.02404092      3.17172578      3.92565199
  O     -0.33202179      3.01355817      0.84958246
  H     -0.57093624      0.19762030     -1.74683307
  H     -1.30100843      4.02475299      3.59181930
  O     -3.55881975      1.65903503     -0.68673919
  H     -0.19653239     -0.81747874     -2.85535054
  H     -0.02825789      7.83901412      1.43822272
  O     -2.54501356      0.95537801      3.18347833
  H      1.38139939      2.60908047      0.51522138
  H     -0.33343367      6.44220275      0.84839611
  O     -1.05150828      0.55616156     -0.09516923
  H      2.85407207      3.04092577      0.27955348
  H     -0.42313445      5.24597143     -1.28312161
  O     -0.92010537      3.13224044      3.57367547
  H      1.80021425      2.12185044     -1.53787439
  H     -1.81749452      5.17215474     -0.61881730
  O     -0.00706340      6.90652394      1.63854188
  H      0.97216185      1.45778412     -2.66634705
  H      3.50139962      4.79199875     -0.82135028
  O     -0.89679871      5.42025289     -0.45760802
  H      1.43880917      5.83884336      2.19325873
  H      4.70256817      4.82665842      0.14593759
  O      3.75753263      4.69833943      0.11181096
  H      2.69828425      5.14486900      1.61931306
  H      2.11553915      5.08380798     -2.71813963
  O      2.96891770      4.68549171     -2.50756519
  H     -3.92868064      4.79414739      0.60257073
  H      2.81115260      3.74413919     -2.65844196
          69
 Energy    -249.64251646739319     
  O     20.49105723      9.66920807    -18.01948838
  H     19.52360335      9.63689696    -18.10879171
  H     16.35672206      4.62560634    -15.86528666
  O     15.46011518      6.05856607    -12.87176055
  H     20.84761594      9.72593203    -18.90225960
  H     16.41721664      6.30374126    -11.44725980
  O     16.92935055     12.54150295    -13.24361285
  H     15.77340129      5.87967445    -13.76594472
  H     16.77833339      5.90008089     -9.99708053
  O     20.74134756      9.22308699    -11.51590895
  H     14.82784359      6.78629148    -12.92412232
  H     21.33141721     10.34965033    -14.43582254
  O     15.92547856      7.49478378    -17.20402356
  H     17.46865356     12.98502426    -13.91003820
  H     21.75801842      8.88978008    -14.59552711
  O     12.89362678     11.14598731    -12.89902226
  H     17.47072385     11.81680478    -12.89844642
  H     18.46847477      8.30882717    -14.90850220
  O     14.11474213      8.56497209    -12.72104720
  H     21.39785896      9.37398084    -10.84203945
  H     17.15691437      9.18293945    -14.95363858
  O     18.52088776     13.42847764    -15.41455503
  H     21.18341946      9.35142657    -12.37626386
  H     17.89541975      9.37582538    -16.85400086
  O     19.36132982      6.79478568    -12.14873003
  H     15.55420561      8.07474172    -16.52204141
  H     17.31687069     10.50096056    -17.71750653
  O     15.39876871      9.18409867    -15.07511765
  H     16.50389930      8.06806720    -17.71769127
  H     16.94175907      9.61523088    -11.43159206
  O     19.03002429      6.64315866    -14.83987628
  H     12.05769219     11.50882281    -12.61854581
  H     16.42490256      8.36909084    -10.68315497
  O     16.53297822      5.48120016    -15.48150564
  H     13.56207568     11.44643054    -12.25604894
  H     15.63480603     12.24820268    -11.83108367
  O     16.93414859      6.56477424    -10.66279037
  H     13.52077937      9.32254403    -12.78418667
  H     15.35499377     11.00101464    -10.96406999
  O     21.75508397      9.62476282    -13.96419366
  H     14.79707861      8.80852962    -12.07669853
  H     19.15891147     10.02416667    -11.98525598
  O     18.12551076      9.21403977    -14.94961789
  H     19.01355288     14.22685276    -15.58738286
  H     18.27720045      9.83954832    -13.24548641
  O     17.76048936      9.64072788    -17.77345340
  H     19.14537453     12.68770838    -15.49907921
  H     15.49690253     12.13251685    -14.33473654
  O     16.17470856      9.25952050    -10.95988118
  H     18.59162083      6.72029287    -11.57239900
  H     14.00567744     11.71975404    -14.36855434
  O     14.96328473     11.82571473    -11.28036066
  H     19.86561101      7.55850924    -11.84442196
  H     21.09128060      8.27127577    -16.73082585
  O     18.32233065     10.28723361    -12.38947531
  H     14.95300831      8.86586247    -14.28010330
  H     20.60295109      7.24185855    -15.68046444
  O     14.77766664     11.86784232    -14.92797146
  H     15.17502850     10.12048510    -15.15628338
  H     15.82565446     12.06897661    -16.55304066
  O     21.37185554      7.75212011    -15.96933166
  H     19.17974619      6.59226806    -13.88127780
  H     17.24825681     12.62049294    -16.66256542
  O     16.60313854     12.07231094    -17.12465651
  H     18.24563261      6.12387460    -15.04958846
  H     19.38028098     10.51960712    -15.34499019
  O     20.03101113     11.16390010    -15.66142901
  H     16.30739350      6.14259807    -16.15890702
  H     20.34770770     10.81122619    -16.50302617
          69
 Energy    -249.64234545217857     
  O     13.32378507     10.07107641    -17.13706067
  H     12.59516444     10.05612100    -16.49847602
  H     18.52901024     10.09290090    -12.84606977
  O     14.71398887      7.96006028    -11.69950413
  H     13.80623772     10.89066673    -16.98448669
  H     15.82618301      8.62139362    -14.33809590
  O     16.22821422     12.14811167    -11.93682805
  H     14.77107236      8.34816852    -12.58488046
  H     14.32764688      8.44186054    -14.68581924
  O     17.36683986     11.26569478    -15.98399428
  H     15.33471541      8.47103841    -11.16481966
  H     11.15686793      9.09041400    -14.84985872
  O     13.50839451      6.81252142    -15.29461909
  H     15.52761387     12.02350495    -12.59393372
  H     11.41076257     10.53340173    -14.39835394
  O     11.92999587     12.71041843    -10.28771055
  H     17.05712318     12.17191058    -12.42969932
  H     14.86268391     10.21903640     -7.35531259
  O     12.04518518      8.61275778    -11.62796484
  H     17.34954486     10.39030665    -16.38666701
  H     13.92272866     10.19803207     -8.58284799
  O     14.29439175     11.62521816    -13.82792022
  H     16.52734616     11.68549547    -16.20921937
  H     10.51964123      6.65923937    -14.16719544
  O     15.36385700      5.83698534    -13.53471975
  H     13.90948247      6.97680099    -16.15466715
  H     11.96737235      7.09149996    -14.49452943
  O     12.28806315     10.06405978     -9.20865362
  H     14.15141097      6.34467975    -14.73639412
  H     18.10665073     11.65278143    -14.45717036
  O     17.34214654      7.59005813    -14.45688609
  H     11.47893964     13.46356236     -9.91642503
  H     19.27747905     12.36335311    -13.73769254
  O     18.40301150      9.19080026    -12.52710357
  H     12.88116191     12.84213866    -10.12266831
  H     16.37368036     10.57136127    -10.98695072
  O     14.95664360      9.03762788    -14.26209359
  H     11.64644565      8.11501066    -12.35124766
  H     16.02651692      9.90222284     -9.64057859
  O     11.36310888      9.97203552    -15.18181613
  H     12.96880010      8.32373227    -11.56938034
  H     14.75917460     12.11485489     -9.16654827
  O     14.83107621     10.39487452     -8.29179480
  H     13.42105328     11.57796036    -13.41772727
  H     15.21450824     12.75346959    -10.49417465
  O     11.15934287      7.35108800    -14.01878041
  H     14.56327293     10.71109533    -14.01731460
  H     16.39617630      8.33328787    -17.31640382
  O     18.49072327     11.84720928    -13.58361812
  H     15.14149273      6.30568493    -12.72065499
  H     17.84058746      8.39527775    -17.85889704
  O     16.47305010      9.75042755    -10.48293260
  H     16.16775383      6.26922197    -13.85879576
  H     11.76722534     11.81206664    -11.90189991
  O     14.58803445     12.85264260     -9.76491480
  H     12.09323497      9.47111790     -9.94568027
  H     11.91425837     10.31880709    -12.28579172
  O     17.29842499      8.62158264    -17.10636719
  H     12.02394685     10.94519191     -9.50076737
  H     14.53775379     13.31154702    -16.55996692
  O     11.84320221     11.21201820    -12.65391255
  H     17.56220346      7.90257370    -15.34056276
  H     14.57416707     12.24028186    -15.44303265
  O     14.79598181     12.41211170    -16.37558083
  H     17.83387174      8.11089709    -13.80152048
  H     14.36406066      7.50644133    -18.53620191
  O     14.67222950      7.84175905    -17.69817732
  H     17.86445903      9.26165355    -11.72909963
  H     14.17142750      8.66258557    -17.52396750
          69
 Energy    -249.64229427669167     
  O     16.60240537     10.29648293    -10.54106556
  H     16.36276692      9.61033707     -9.89557529
  H     14.74301078      8.62958789     -7.59991209
  O     14.83995634      4.84227515     -7.67416330
  H     15.94496426     10.24712018    -11.24639877
  H     18.24852294      6.67320217    -13.93281521
  O     12.64298893      6.71220927     -8.07323869
  H     15.14797667      5.43695885     -6.96715694
  H     18.46869747      5.20492718    -14.37258152
  O     14.65503019      9.81609579    -12.42967809
  H     14.76212230      3.97477930     -7.28620214
  H     16.55689264      5.87062467    -10.37130316
  O     18.85953586      8.97612476    -11.32141879
  H     13.26808735      5.98672065     -7.97366249
  H     15.45124966      5.38949453     -9.34162342
  O     20.52140474      9.40129046     -9.07436013
  H     13.01574138      7.45465393     -7.57640110
  H     18.74601025      8.69727585    -13.15210709
  O     18.22558571      6.25312765    -11.00463469
  H     15.06414619      9.83238643    -13.30291604
  H     17.75442223      8.85351324    -14.33436459
  O     11.73898049      7.79278023    -10.36914602
  H     14.43731967      8.88793951    -12.25550134
  H     19.12054442     10.96237561     -6.30655120
  O     16.66694952     11.64531924     -8.13419149
  H     18.08003706      9.50644836    -11.09698597
  H     18.06004520     10.90470084     -7.42835385
  O     12.98343836     10.37624590    -10.18327295
  H     19.52249788      9.16745185    -10.64902644
  H     15.70433216      8.40408184    -14.79116814
  O     13.80920686     11.45713085     -7.81747133
  H     19.96719388      9.81625941     -8.39519101
  H     15.75270744      9.59459130    -15.77975592
  O     14.08759856      8.79826735     -6.90375863
  H     21.38305185      9.80715295     -9.01084218
  H     16.72402856      8.06644700     -8.16133857
  O     17.98089146      5.75103792    -13.76169987
  H     18.39216147      7.20389160    -11.08676344
  H     15.82054126      7.47263677     -9.28610764
  O     15.61532214      5.89500766    -10.14808137
  H     18.18844142      5.91510033    -11.90838948
  H     15.03320946      7.42276042     -5.93003252
  O     18.54924813      8.38802151    -14.04725251
  H     10.80527197      7.62395493    -10.46165875
  H     16.50707510      6.98395595     -6.01435493
  O     18.85272045     10.46270970     -7.07375734
  H     12.02239561      7.36355797     -9.54160197
  H     14.52379098      6.64769392    -11.33728525
  O     15.96499242      9.33917509    -14.88586764
  H     15.73110421     11.63996358     -7.90309261
  H     13.12504774      7.29804456    -11.50434614
  O     16.03149512      8.28023271     -8.80123205
  H     16.69714780     11.36799031     -9.06154022
  H     19.29698504      6.33882105     -9.42912074
  O     15.61761728      6.66302722     -5.80943562
  H     12.48804558      9.54837137    -10.19573210
  H     20.15758218      7.47746723     -8.83968253
  O     13.96468525      7.14274712    -11.95402380
  H     13.50385403     10.37555583    -10.99566457
  H     18.61054068      7.26053235     -7.38493718
  O     19.73656340      6.63704678     -8.62206284
  H     13.52111190     11.10005776     -8.67718721
  H     18.28603796      8.66538455     -6.79128680
  O     17.96565201      7.75874998     -6.85970635
  H     13.23337360     12.19254738     -7.62522305
  H     14.77907436      6.76690606    -13.58134849
  O     15.33535792      6.74941971    -14.37252100
  H     13.87587330      9.73339763     -6.99210091
  H     16.13893210      6.27063535    -14.13754010
          69
 Energy    -249.64165423299835     
  O      0.66245505     -0.27838509      5.33504191
  H      0.57782201      0.68387188      5.20337250
  H     -2.43752523      4.34046174      0.33774313
  O      1.72146522     -1.54274940     -2.76687735
  H      1.20259476     -0.40174571      6.11168374
  H     -2.35882741      0.75533869      5.48748210
  O     -0.40785881     -0.42703327     -1.27108929
  H      1.89567485     -1.73786750     -3.68456606
  H     -1.26446381     -0.34274663      5.36691779
  O      1.45039331     -3.85723945     -1.19619200
  H      1.64695955     -2.39484799     -2.30822094
  H      0.38414995      1.85212421      1.61333144
  O      2.85260041     -2.75335083      0.80502863
  H     -0.77983865     -1.27107207     -0.97777986
  H     -0.83735973      2.84767407      1.64976365
  O     -3.80712562      2.86591739      3.19857694
  H      0.27480441     -0.64987771     -1.91546747
  H     -3.14432760      0.90164878     -0.52222044
  O     -3.75126950     -3.61152542      2.81358654
  H      1.95799970     -3.51473188     -0.43608395
  H     -1.74864680      0.88014790     -1.17744902
  O      0.17306056      2.34264269      4.91634028
  H      1.72870885     -4.75928108     -1.32864004
  H     -2.08258009      0.02198333      3.41170800
  O      3.45823777     -0.46595768     -0.67754634
  H      2.44763714     -2.40859536      1.60962038
  H     -1.28738274      0.82911349      2.35538556
  O     -5.69908669      0.75182506      2.80239552
  H      3.23149386     -1.98915766      0.34536658
  H     -0.31393127     -3.39117519     -0.69391684
  O     -4.57713014     -1.26680423      4.22683754
  H     -4.47690208      2.19793240      3.00702880
  H     -1.08167475     -2.90357624      0.56491007
  O     -2.34226445      3.50528056      0.78769522
  H     -3.36990266      3.07918771      2.36619086
  H      0.51339581     -2.03071442      2.70564877
  O     -2.20677738     -0.17049722      5.24961541
  H     -4.10202381     -4.48654384      2.95612467
  H      1.20560116     -1.08007068      3.69999971
  O     -0.21442674      2.34782956      2.19114775
  H     -3.89044174     -3.40144165      1.87199852
  H     -3.02309005      2.74069287      4.73382763
  O     -2.48829593      1.46151202     -0.96090863
  H      0.12877819      2.44613551      3.95370425
  H     -3.03684744      3.13789042      6.22903277
  O     -1.85585336      0.05900038      2.47316931
  H     -0.70795877      2.56702760      5.23848760
  H      1.27620923     -0.19011021      1.49905131
  O     -1.12990835     -2.96908310     -0.40083397
  H      2.81374159      0.04578559     -0.16926355
  H      0.63114521      0.17002568      0.12222449
  O      1.31346549     -1.50149338      2.83917159
  H      3.00556465     -0.70584894     -1.49403871
  H     -1.38747667     -1.64246777      2.34621234
  O     -2.59031147      2.58584228      5.59322100
  H     -5.34579113      0.02309915      3.34482532
  H     -1.96046714     -3.05049528      2.63849578
  O      1.23274957      0.48788491      0.81027815
  H     -6.63804304      0.78472909      2.96350775
  H     -4.03741127     -1.91395045      0.28266909
  O     -1.16669308     -2.58829927      2.34493764
  H     -3.79650017     -0.98802640      4.72382541
  H     -3.04063799     -2.99138490     -0.19594867
  O     -3.90830560     -2.87065215      0.20984906
  H     -4.33976433     -2.09096093      3.78490883
  H     -3.23764087     -0.06755038      1.31434380
  O     -4.01666314     -0.12507600      0.73919954
  H     -2.40086825      2.81106477      0.10662426
  H     -4.75200895      0.18602204      1.27974203
          69
 Energy    -249.64136546143706     
  O     15.84554889      9.79719990    -16.05591218
  H     16.50968254      9.84760294    -15.35858805
  H     18.18323958      6.89058363    -16.61554430
  O     13.89513629      4.71999272    -13.94064343
  H     15.03069164      9.49550703    -15.63892361
  H     15.95367786      6.33282298    -15.81930125
  O     17.93785381      5.23681880    -12.07104957
  H     14.72436440      4.24511992    -13.78306799
  H     16.90068039      6.68673342    -14.64662426
  O     19.75102567      4.94394639    -18.48606676
  H     13.92087334      5.07693095    -14.83795657
  H     13.55138789      8.26230468    -14.11463459
  O     17.13942694      4.20626255    -18.55207644
  H     17.51133780      6.07213896    -12.31982508
  H     12.61381964      9.17093750    -14.94189860
  O     13.90879057      6.05514546    -10.26108668
  H     18.80563880      5.24680031    -12.49243202
  H     14.14440571      2.83906804    -11.02876003
  O     16.71755095      7.48357138    -12.98285882
  H     18.82820304      4.65095914    -18.59803115
  H     15.49538282      3.18170206    -10.37450145
  O     17.15801086      3.53971249    -15.82561493
  H     20.20927681      4.72658235    -19.29279519
  H     13.83603155      7.11266886    -16.01777005
  O     12.62249228      3.87134394    -11.62501139
  H     16.43239662      4.85139949    -18.66524460
  H     14.34917680      6.23012438    -17.20979560
  O     19.80420307      8.13468233    -14.68734507
  H     17.02311644      3.81167364    -17.67636509
  H     21.20795246      5.34663083    -13.24406655
  O     19.91389889      4.03354357    -15.77747502
  H     13.37733369      5.30910436    -10.56814014
  H     20.20087133      4.98122463    -14.35563517
  O     18.89216501      7.26973362    -17.15957131
  H     14.76785122      5.68434663    -10.02438196
  H     15.83547123      2.86154113    -12.47966804
  O     16.86703025      6.26456060    -15.51328095
  H     15.76303637      7.52040739    -12.84139345
  H     16.85702774      3.95211656    -12.89196077
  O     13.42403564      8.66893666    -14.98803994
  H     17.03847472      8.36843095    -13.19865000
  H     16.97815502      4.80512524     -8.99284253
  O     15.03803835      2.50238145    -10.88680137
  H     17.11055498      4.50495776    -15.73043606
  H     17.04415484      4.91804331    -10.53035675
  O     14.15522582      6.23482876    -16.26257413
  H     16.80841457      3.19225252    -14.99632313
  H     15.65871897      7.06949203    -18.73189899
  O     20.31873101      5.51260190    -13.54766059
  H     11.72934544      3.56240916    -11.75506991
  H     14.72119269      6.34075180    -19.72729716
  O     16.20573651      3.32926476    -13.24110742
  H     12.95748698      4.13083584    -12.49919171
  H     13.94117355      6.37591285    -13.17305140
  O     16.44452487      4.76166993     -9.78293695
  H     19.63160527      7.91246948    -15.61397286
  H     13.90270398      7.02182729    -11.77660352
  O     15.12016551      6.26643401    -18.86465750
  H     20.00193774      7.30095895    -14.24695648
  H     18.59320351      9.27377913    -14.22020465
  O     13.97127673      7.23118842    -12.71920720
  H     19.01361609      3.68147681    -15.75403612
  H     18.18396364     10.64476579    -13.62821345
  O     17.83131642      9.82068312    -13.95245579
  H     20.04673945      4.31954778    -16.68845179
  H     17.50780549      8.13984351    -18.08731473
  O     16.61955555      8.42474714    -18.33691630
  H     19.28037019      6.54187161    -17.65960563
  H     16.31325531      8.98195711    -17.60644576
          69
 Energy    -249.64088055965533     
  O     10.59918316      9.97360896     -9.01181366
  H     10.71048301     10.67827697     -9.67077843
  H     13.60314693     12.22473941    -13.95626463
  O     13.64885169      9.14233447    -16.97181997
  H      9.71930510     10.07222029     -8.65449495
  H     17.18503257      8.81732465    -11.43659540
  O     11.32538051      7.76043552    -10.77582842
  H     14.05733861      9.08288860    -17.83124587
  H     18.64244474      8.95591030    -10.93950413
  O     14.37967320      8.58755072    -14.31516731
  H     13.26846571     10.03615380    -16.90319306
  H     15.35558430      7.63481030    -11.49313399
  O     12.39970929     11.55355861    -16.69358836
  H     12.24425755      7.58455702    -10.52840563
  H     15.54890901      7.94397227    -12.99342901
  O     11.76553893      8.49858567    -13.38944241
  H     11.00953517      8.41779060    -10.14659339
  H     12.48956195     14.99997223    -11.42761107
  O     14.79138832      8.03934432     -7.50942116
  H     14.25278563      8.69085423    -15.26621855
  H     13.59534180     13.92501097    -11.34288424
  O     13.64808440     10.45584453    -10.94758257
  H     13.49528190      8.48912180    -13.92938195
  H     13.91838937      8.74014319    -10.43615662
  O     12.94239731     10.01402982     -7.34583755
  H     12.59307589     12.12587763    -15.94041545
  H     14.33453699      7.77969444     -9.28396681
  O     15.19342556     13.56146450    -10.74876436
  H     11.46040023     11.33895704    -16.63264098
  H     17.45270849     11.05535938    -11.65417658
  O     11.15285143     11.78146022    -11.01368425
  H     11.40932411      9.39507555    -13.43557037
  H     18.01944181     12.28912951    -12.38897807
  O     12.84038217     12.78607303    -14.17052514
  H     11.55676991      8.15783598    -12.50839260
  H     11.43514242     11.68566250    -13.86430385
  O     17.81000690      9.41890318    -10.99165008
  H     14.09818152      8.71003301     -7.36822844
  H     10.20062380     10.95610544    -14.44935571
  O     16.02905150      7.79640631    -12.16976331
  H     14.77157440      7.45906912     -6.75356729
  H     15.51400435     11.23432172     -8.49095622
  O     12.68489623     14.09226056    -11.64598080
  H     12.75194056     10.81037489    -10.98390036
  H     14.34814817     11.28959119     -9.50291879
  O     14.06708420      7.80784046    -10.21061965
  H     14.08063480     10.70486457    -11.77392402
  H     14.82739231     10.23579751    -13.74653776
  O     17.20673602     11.88633544    -12.09179528
  H     12.13104490      9.98768690     -7.86631821
  H     15.73987484     11.34304401    -13.08134600
  O     10.69585314     11.10260237    -13.63455469
  H     13.46519287     10.75371653     -7.68441115
  H      8.93330073     10.48933300    -16.70540078
  O     14.71663207     11.73391024     -8.72328691
  H     15.07574280     13.08232949     -9.91506793
  H     10.13473351      9.63913744    -16.22374526
  O     14.84972475     11.13411900    -13.38751042
  H     15.89616656     13.09543174    -11.21263098
  H     16.22593664      9.20672345     -8.03660252
  O      9.74711874     10.53337842    -16.21173407
  H     10.82237036     11.52460604    -11.88740068
  H     17.11720871      9.70397181     -9.20100247
  O     16.77332482      9.94523290     -8.33341235
  H     11.60749315     12.62648383    -11.12300450
  H     11.94116840      8.33548732    -16.49044989
  O     11.07887138      8.17354651    -16.08911377
  H     12.74822969     13.39407753    -13.42811014
  H     11.24774431      8.08050573    -15.14052053
          69
 Energy    -249.63891952744407     
  O     19.12262562      9.11682511    -12.20205806
  H     18.95232785      8.16499611    -12.25172291
  H     13.20022336      7.92245550    -16.07093330
  O     13.49194477     11.12338611    -14.24860450
  H     18.93496620      9.35926012    -11.28805687
  H     14.43638864      5.24943049    -11.97635979
  O     13.58334013      6.68142056    -11.45063917
  H     13.42517234     10.28658728    -14.73567043
  H     14.42801256      3.97220842    -12.85502576
  O     13.20775449      3.27012799    -14.06900137
  H     13.02671846     11.77498288    -14.76961474
  H     15.81923397      9.02429799    -11.46541640
  O     11.96540108     10.15439705    -11.96545343
  H     14.34044617      7.26866796    -11.60616969
  H     16.61032343      7.73354463    -11.85830695
  O     15.90760440     10.63987774    -10.54936211
  H     12.87814591      6.99200789    -12.03207975
  H     18.81626801     10.60105531    -14.97378322
  O     16.04478551     11.65703169    -13.05736084
  H     12.55564603      3.98142821    -14.20737622
  H     18.51366870      9.87081534    -13.64419288
  O     14.69625144      4.51090181    -16.18717717
  H     12.72024277      2.45108050    -14.05119587
  H     13.77820060      7.23583653     -9.65317043
  O     18.25234218      9.52438615     -9.50943558
  H     12.51497036     10.60382851    -12.61797269
  H     13.78858134      8.61410101     -8.97948609
  O     11.53711645      5.32888803    -14.63345233
  H     12.41035439     10.24989592    -11.11467441
  H     16.91349550      6.37840928     -9.35321555
  O     12.85646775      6.34443568    -16.98939643
  H     16.76672614     10.42664213    -10.16578188
  H     15.90124264      7.43997199     -8.87601586
  O     13.44326789      8.61417535    -15.44347227
  H     16.03144602     11.10539235    -11.39209171
  H     11.68511219      8.56966179    -12.75710513
  O     14.99922283      4.53812854    -12.32208629
  H     16.73530426     11.25926618    -13.60108734
  H     12.36184801      8.02578014    -14.03126964
  O     15.78468385      8.21550514    -11.99005938
  H     15.20612628     11.49837171    -13.50858363
  H     14.31325133     10.56569624     -9.84167732
  O     18.10679507     10.24041571    -14.44923358
  H     14.23847611      3.94832312    -15.55007887
  H     13.23565839     11.11872675     -8.87926571
  O     14.11503311      7.71192252     -8.88259781
  H     15.48148488      4.83583207    -15.72868071
  H     16.27541780      4.56539612    -11.04589654
  O     16.84814292      7.26992439     -8.99836977
  H     17.78995890      8.69250849     -9.29597159
  H     17.20396644      3.88075364    -10.01971357
  O     11.80470573      7.76600901    -13.28514787
  H     18.79514438      9.73670412     -8.75503686
  H     16.77880002      8.97043300    -14.81310167
  O     13.40839250     10.42559979     -9.51173868
  H     11.82515235      5.65973313    -15.49280696
  H     15.86776841      8.35701287    -13.73288053
  O     16.99612784      4.72436978    -10.41370650
  H     11.45599641      6.11016446    -14.07008197
  H     17.81200862      6.16921176    -13.06264066
  O     16.05311215      8.34804071    -14.68637976
  H     12.62438705      6.19694402    -17.90239316
  H     17.93768674      5.87823268    -11.54981417
  O     18.13956839      6.53282308    -12.22943617
  H     13.55865278      5.70519170    -16.77187712
  H     16.02026426      5.30653444    -13.70723904
  O     16.60740578      5.61895677    -14.41179241
  H     14.38778795      8.49823620    -15.25649650
  H     16.38690300      6.54381665    -14.59726959
          69
 Energy    -249.63855235037568     
  O     17.92069228      8.92985567    -10.28261042
  H     17.19052595      9.49278363    -10.57198709
  H     17.27833113     11.92157108    -10.92803966
  O     13.84049211      9.94049281     -9.83915268
  H     17.56725486      8.06640824    -10.03625906
  H     18.99214331     10.70975214     -7.94055315
  O     20.75611105      6.84848655    -12.28250187
  H     14.43528963      9.89479457     -9.06822041
  H     18.98192190      9.56654190     -8.96801416
  O     15.61835102      9.90986099     -7.82605779
  H     13.04815102     10.38248685     -9.54578680
  H     18.86728382      9.07050398    -11.72769069
  O     19.32799932      5.60266390    -14.30854474
  H     21.49718349      7.00469589    -11.68317915
  H     19.72373782     10.07299456    -12.53061029
  O     22.60428197      7.45807922    -10.26796959
  H     20.32742693      7.70732441    -12.40911602
  H     18.19921327      4.43510856    -13.20376237
  O     16.56327336      7.32922148     -7.07579925
  H     15.99175118      9.08424666     -7.49397954
  H     16.92047915      4.60910056    -12.36473115
  O     21.08206671      6.09981707     -8.52784874
  H     16.30278176     10.58603138     -7.76093761
  H     15.21682088     10.52324933    -10.90468508
  O     19.43979449      7.55094894     -6.83890009
  H     19.87736150      5.25296481    -15.00588833
  H     15.82059081     10.33953769    -12.32152186
  O     17.02332339      6.39288428     -9.60180107
  H     19.92908547      5.96864055    -13.63810891
  H     16.06167007      8.81349136    -14.03494165
  O     17.61273760     11.98555117     -7.84538743
  H     23.52250781      7.24355199    -10.12757079
  H     15.11138891      9.78506095    -14.76947230
  O     17.97884017     12.43307033    -10.50016765
  H     22.09939356      6.98558190     -9.57941299
  H     21.01885888     10.11516967     -9.28244983
  O     19.51027119      9.96090493     -8.25654946
  H     16.66956198      6.92431670     -7.95373939
  H     22.03111046      9.27423404    -10.09559145
  O     19.31908538      9.19977303    -12.57806879
  H     16.05786487      6.71284855     -6.55083400
  H     13.72587929      8.56882690    -11.18760108
  O     17.70073366      4.04925554    -12.47332795
  H     20.54402549      6.55334624     -7.86260338
  H     14.13265764      8.52756151    -12.67247112
  O     16.01669525     10.65537190    -11.43142907
  H     20.47257714      5.57910028     -9.06486789
  H     17.98875113      6.95627941    -14.25019311
  O     15.34335078      9.45452936    -13.90513479
  H     19.55926461      8.43468048     -7.21368700
  H     18.09693916      8.30835713    -13.51894745
  O     21.66382704     10.16024429    -10.00298733
  H     18.48618777      7.43332640     -6.77520655
  H     21.01175734     12.31541030    -12.22030198
  O     13.77179791      7.98884755    -11.95756377
  H     17.85954616      5.93426608     -9.76701416
  H     20.92505888     11.16234127    -11.19090661
  O     17.46438860      7.70093132    -13.93323186
  H     16.48983498      6.27866437    -10.40033786
  H     16.41583347      6.70690746    -12.68084425
  O     20.41905234     11.66222156    -11.85883456
  H     17.74486040     12.21463438     -8.78328227
  H     15.01948732      6.68920258    -12.01558657
  O     15.84989197      6.19656330    -12.08811026
  H     17.58580442     12.80693136     -7.36222634
  H     19.80153699      5.74054924    -11.07496724
  O     19.31096669      5.13573141    -10.50329038
  H     18.79781260     12.21759711    -10.96096082
  H     18.78608651      4.57855648    -11.09595027
          69
 Energy    -249.63777854904168     
  O     15.26976807     11.30813027    -16.59084449
  H     16.06637597     11.66645293    -17.02381763
  H     15.79644364     14.07565592    -15.19690239
  O     19.68862764     16.21660716    -15.19961106
  H     14.68563772     11.01820605    -17.28604381
  H     17.50886516     13.26884449    -17.08790216
  O     20.29412948      9.60658553    -15.55758342
  H     20.22846264     15.50208213    -15.58771522
  H     18.41021430     12.12236366    -17.56693754
  O     18.97394346     12.71494366     -9.89874723
  H     19.90836668     17.01549310    -15.67093855
  H     17.04272850     10.21360660     -9.01662614
  O     14.85309828     13.73188520    -12.25297450
  H     20.66041176     10.13363109    -14.83106070
  H     17.84817452     11.28011123     -9.78425935
  O     19.13638228      8.82093810    -11.32687864
  H     19.66644033      9.00784702    -15.13963868
  H     19.80557950     15.83167424    -13.36646803
  O     15.40378453     10.93583947    -12.03049192
  H     18.44545636     13.09261742    -10.61973868
  H     19.05167472     14.93847832    -12.34921274
  O     20.22831415     11.67523671    -17.31261197
  H     19.60715021     13.40359486     -9.66634169
  H     20.27145097     11.47041544    -10.46539398
  O     22.10154406     13.83120822    -13.43264402
  H     14.82701008     13.71962185    -13.22786664
  H     20.42685920     10.00234365    -10.92033541
  O     20.83774648     14.87095310     -9.93611439
  H     14.09132044     14.22567293    -11.96321695
  H     16.02735586     10.37351904    -13.56697334
  O     20.89688880     11.34688218    -13.52411092
  H     18.88391134      8.57445950    -12.22461751
  H     16.00237126     10.45108741    -15.13952741
  O     14.96275555     13.65522710    -14.94061595
  H     18.37893523      9.27152443    -10.93587808
  H     20.85144794     13.29081354    -16.44815930
  O     17.50344166     12.45018206    -17.60261260
  H     15.98115262     10.80220265    -11.26870838
  H     21.66511596     13.92970765    -15.28145257
  O     17.24987921     10.52475682     -9.89559543
  H     15.14409416     11.86491934    -12.02102215
  H     22.26424571     13.61809197    -10.44326276
  O     19.88725593     15.40276355    -12.50528728
  H     20.22127707     10.90173199    -16.72223223
  H     22.35072949     12.12643019    -10.80430366
  O     20.91477590     10.83126888    -10.79838961
  H     20.76016686     11.43133881    -18.06691272
  H     17.96575059      7.30934999    -14.20790452
  O     16.50335520     10.13404932    -14.37847024
  H     21.35936601     14.37593086    -13.13902946
  H     17.63697492      8.82031403    -14.17960073
  O     21.14620837     14.12827800    -16.07238538
  H     22.55305012     13.54786465    -12.62347565
  H     17.74319137     11.48561560    -14.22414097
  O     22.80846878     12.97131670    -10.90830075
  H     20.55243261     15.16735277    -10.81603017
  H     19.22418454     11.89123723    -13.93223507
  O     18.33939849      8.16663943    -14.01835065
  H     21.01557927     15.65917735     -9.42832671
  H     18.17831637     15.13394259    -15.50346799
  O     18.33378498     12.23514793    -14.07902262
  H     20.91744196     11.08183360    -12.59556967
  H     17.89894654     13.65664642    -15.11840861
  O     17.54888973     14.41437452    -15.61409360
  H     21.38161521     12.17980930    -13.58040620
  H     16.67836870     13.93103918    -12.00200415
  O     17.63813747     13.84209181    -12.00430401
  H     14.90034910     12.85929488    -15.48000402
  H     17.85912342     13.22111847    -12.71679016
          69
 Energy    -249.63764228436594     
  O     12.91846747      9.88054090    -13.89467716
  H     13.21262076      9.33363498    -14.63615680
  H     20.54835219      8.53295995    -16.07457456
  O     17.67375322      6.54965983    -14.29992380
  H     13.35904328     10.73041398    -14.00711437
  H     16.68293174     11.58325476    -16.57418473
  O     18.91931685     10.17664182    -12.01571251
  H     18.51046486      6.77285881    -13.87282488
  H     15.38875162     11.13500616    -17.27562256
  O     18.33024429     10.78898134    -16.26298932
  H     17.29065807      7.39450958    -14.58226631
  H     16.46323981      9.51700382    -14.13189428
  O     13.71263659      5.63085686    -15.46421275
  H     18.78549495      9.91286492    -11.09811157
  H     17.17186731      9.52154634    -15.50079746
  O     15.48865764      8.67790125    -10.95292081
  H     18.03824609     10.42942996    -12.33345851
  H     12.78742629      8.98563134    -12.42975816
  O     16.38730733      6.23034022    -11.88100614
  H     18.95628494     11.03469856    -15.57096939
  H     11.93103680      8.54457209    -11.21688658
  O     16.32357002     10.64587446    -12.72718302
  H     18.79855761     10.19220015    -16.86280542
  H     18.60247695      7.36951450    -10.06082746
  O     17.12640136      7.84875772    -18.18639127
  H     13.07636495      4.95540256    -15.68275783
  H     19.29885630      6.75748302    -11.28967010
  O     19.59463371      8.78589781    -17.73522315
  H     13.71882038      5.70369751    -14.49299771
  H     13.34325392      6.75287848    -12.37648888
  O     16.36372021      5.69812745    -16.61450707
  H     14.52635262      8.64409634    -11.02198768
  H     14.63915168      5.91650292    -12.39333941
  O     20.99527398      8.60292358    -15.22224029
  H     15.81535971      7.83429218    -11.30313056
  H     19.85069818     10.89453724    -13.37176298
  O     15.74028035     11.78405011    -16.65436275
  H     17.15155122      6.15451843    -11.29314435
  H     20.81725534     11.93445201    -13.97890942
  O     16.59763631      8.99384755    -14.93228593
  H     16.75276165      6.26174593    -12.77711276
  H     19.51319801      8.45555050    -12.61802030
  O     12.79154868      8.44953488    -11.61563630
  H     15.88482211     10.04741637    -12.10590694
  H     20.38335272      7.80839133    -13.71193853
  O     18.76723894      6.53427681    -10.51291257
  H     15.67207660     11.23332914    -13.12902316
  H     16.99044270      9.02543198     -9.95461976
  O     13.75567098      5.98219294    -12.78168337
  H     16.83055639      7.06397703    -17.70075285
  H     17.75978547      9.40285085     -8.67039890
  O     20.23752619     11.21098083    -14.20453815
  H     16.36308246      8.42477445    -18.29020326
  H     14.42009594      9.13584517    -17.46697838
  O     19.86420279      7.60782921    -12.91889740
  H     18.72743402      8.38015188    -17.92013185
  H     14.13376740      9.54923086    -18.92962899
  O     17.87905146      9.15021199     -9.58280952
  H     20.09683118      8.73124523    -18.54377970
  H     14.95651479     12.05770163    -15.12845069
  O     14.79098277      9.59615742    -18.23967955
  H     15.47264601      5.55833170    -16.27637710
  H     14.28590419     13.10034272    -14.20520628
  O     14.54848085     12.18507801    -14.25267034
  H     16.92092453      5.80661649    -15.83102208
  H     14.98623070      8.51374482    -15.57870476
  O     14.09094694      8.35407683    -15.91721090
  H     20.88724504      9.52146501    -14.94762915
  H     13.91050415      7.40989024    -15.82824508
          69
 Energy    -249.63753749546265     
  O     -6.68377515     -3.09195083      5.81154078
  H     -6.28075247     -2.21011556      5.89610552
  H     -5.14102638     -1.03568867      0.51501853
  O     -8.55638079     -2.48354149      2.08595497
  H     -6.31288697     -3.62824503      6.50811821
  H     -6.79587841     -0.04850527      3.47783525
  O     -6.14719711     -3.48809687      3.04773945
  H     -8.26650497     -1.66465380      2.51806263
  H     -8.16676980     -0.02617791      4.22444459
  O     -5.62799723      2.02890493      1.23025723
  H     -9.43605546     -2.66692230      2.43419805
  H     -5.22459919     -0.19548172      5.17884965
  O     -7.06872655      1.40314730      7.37048977
  H     -6.30544529     -3.44308424      3.99834585
  H     -6.00751198      0.09537539      6.48350696
  O     -6.89785625      5.61783447      3.56184815
  H     -6.99905678     -3.29828025      2.63075811
  H     -4.38319348      2.09143125      4.10791196
  O    -10.27511615      0.56659167      0.03893933
  H     -6.59694193      2.04553926      1.24558614
  H     -4.37006161      3.54717044      3.59591676
  O     -9.47072372     -2.45484066      5.63133608
  H     -5.32805519      2.93306757      1.37979568
  H    -11.82737550      2.28989046      4.93303734
  O     -4.93290695      0.39444445      3.35504553
  H     -6.95298422      1.66823619      8.27854481
  H    -11.10661732      1.38392925      3.90597360
  O     -4.84567018      4.60504867      2.04607396
  H     -6.95262909      2.20133213      6.82337578
  H    -11.00311843      0.26019478      1.77739666
  O    -11.02613790     -2.58595689      3.42789179
  H     -7.69320970      5.07600246      3.45080514
  H    -11.24375124     -0.77193272      2.90982127
  O     -5.64117041     -0.49487166     -0.10652476
  H     -6.64759542      5.47093786      4.47782895
  H     -4.89142835     -2.53611898      2.36248418
  O     -7.74781716     -0.14304441      3.36182264
  H     -9.59257329     -0.09542740     -0.18121968
  H     -3.44753852     -2.42696060      1.81427469
  O     -5.57987320     -0.60481512      5.97554841
  H    -10.76191673      0.73674637     -0.76218231
  H     -8.41982561     -1.80646592      0.37529808
  O     -4.38178836      3.01110081      4.39854884
  H     -8.56387920     -2.77941489      5.68023720
  H     -7.39149163     -0.96310440     -0.40450928
  O    -10.96402278      2.02645472      4.62610416
  H     -9.41498479     -1.50506603      5.80859024
  H     -8.48104569      0.70057045      6.41971067
  O    -11.28732721      0.16773907      2.69459618
  H     -4.57124253     -0.40811660      2.95317266
  H     -9.74486254      0.94438219      5.52091157
  O     -4.22789717     -1.91568885      2.00955234
  H     -5.15979630      0.98770196      2.62156974
  H     -7.45372052      3.45049058      4.98006411
  O     -8.32447841     -1.21818064     -0.38591987
  H     -5.58600011      5.02861372      2.51324013
  H     -5.92161491      3.31999531      5.25067171
  O     -9.08897768      0.29008058      5.79225425
  H     -4.34088092      5.30464574      1.63961723
  H     -8.20271012      1.12180839      2.19081820
  O     -6.78285624      3.45669123      5.67518171
  H    -10.50747683     -2.59161793      4.25345576
  H     -9.01845725      1.56764557      0.95263697
  O     -8.34839759      1.86215949      1.57987327
  H    -11.70197889     -3.25145333      3.52208665
  H     -9.60405601      3.20709108      4.04933086
  O     -8.80926831      3.59024982      3.66130936
  H     -5.53651289      0.41532529      0.19683491
  H     -8.63447366      3.06635941      2.86590144
          69
 Energy    -249.63726120174294     
  O     17.53918262      8.21633901    -11.97396177
  H     16.95524996      8.95433507    -12.21621793
  H     15.65396333      9.42834839     -7.09093195
  O     12.48239313     12.34216762    -12.04693933
  H     18.11335393      8.56005563    -11.27789819
  H     13.74272062     11.69281609    -10.83341846
  O     18.45197989      7.79654843    -14.50639390
  H     12.95409992     12.37281055    -12.89843218
  H     14.03924283     10.30095428    -10.19925458
  O     12.05975630      9.52518912    -12.43225948
  H     11.88673818     13.08621883    -12.03421564
  H     18.53173907      8.41792002     -8.64322657
  O     15.38243906      6.73731078    -11.08373972
  H     18.71302632      6.89265937    -14.66259942
  H     17.61426589      8.62639031     -7.42999077
  O     18.91830923      9.60312123    -10.02973767
  H     18.14402864      7.84557284    -13.58534728
  H     17.16963167     12.46313836    -14.47446143
  O     20.43363499     11.20967631    -11.75547792
  H     12.63303471      9.39212681    -13.19536721
  H     17.13472552     12.86388143    -12.95587763
  O     16.92267504     11.40253881     -9.22391506
  H     12.02663990     10.48075665    -12.29787772
  H     16.91819241      6.69042918     -8.30112597
  O     16.62589303      9.43159582    -15.96673823
  H     15.60478659      6.37696008    -10.21617858
  H     16.37785222      5.27207441     -8.00155782
  O     14.12168290      6.61056713    -13.57822552
  H     16.17460185      7.20157970    -11.39198874
  H     15.36851088     10.56193073    -11.76265094
  O     14.20479049      9.23756794    -14.42486654
  H     19.55581597     10.10480605    -10.55258064
  H     16.22358617     11.06183098    -12.95755211
  O     16.40536084      9.99028384     -6.82845121
  H     18.21728872     10.22492747     -9.78173497
  H     19.48490555      9.40308794    -14.35738964
  O     14.41108337     11.18095257    -10.36057983
  H     21.33636609     11.51651282    -11.75624959
  H     19.33711600     10.85864429    -14.83256559
  O     18.07423353      7.94456784     -7.93597120
  H     20.25046597     10.87303403    -12.65071865
  H     17.51017443     10.92714975    -16.02207353
  O     16.58738996     12.64808212    -13.72700063
  H     16.03191104     11.40717908     -9.60351738
  H     18.17451534     12.09022077    -16.80032095
  O     16.18059433      6.07704155     -8.47283412
  H     16.81688059     11.04966587     -8.33142456
  H     14.07852768      7.96316593    -10.55826183
  O     15.88662470     10.26740040    -12.52218572
  H     17.19436332      8.78159927    -15.53341549
  H     12.83777257      8.81234492    -10.96184346
  O     19.83420412     10.29274955    -14.22902694
  H     15.74511649      9.31556009    -15.59329582
  H     18.93241242     12.38422562    -11.54100178
  O     18.06458750     11.72354625    -15.92726012
  H     13.40349111      5.98126373    -13.57176305
  H     17.70467106     12.51526114    -10.62373090
  O     13.43200799      8.60044686    -10.22711335
  H     14.53801585      6.54617287    -12.70522151
  H     13.90943382     11.26740841    -14.64882064
  O     18.09281463     12.84940759    -11.44134253
  H     14.78262023      9.59284099    -13.72951045
  H     14.79728713     12.45679242    -14.20751957
  O     13.88098747     12.18849702    -14.36923036
  H     14.14637841      8.28398037    -14.26196784
  H     14.95630265      7.42858355     -7.82393268
  O     14.48097898      8.24980729     -7.64791104
  H     16.24142745     10.26524251     -5.93036436
  H     13.95320889      8.41422541     -8.44038792
          69
 Energy    -249.63724548432072     
  O     14.42007615      7.34516955     -9.82692973
  H     14.21044349      6.48972368    -10.21958862
  H     13.45154766      8.39354315    -16.10447326
  O     15.45121302      5.23116417    -15.55572242
  H     14.00057886      8.00651613    -10.39438116
  H     17.73811707      6.97600162    -17.64482840
  O     17.58403641     10.43046706    -10.56334615
  H     16.07081154      5.78901141    -16.03900822
  H     17.90090477      7.22383356    -16.12846627
  O     17.94099171      9.38530073    -13.02879823
  H     15.74433101      5.22865345    -14.63394888
  H     17.43388131     11.19631916    -13.68546634
  O     10.77702368     11.25945759    -13.63375604
  H     17.29763352      9.70489071     -9.99418770
  H     16.65613233     12.27617499    -12.92347607
  O     16.09837912      5.52533432    -12.85169600
  H     16.85984380     11.06515925    -10.62112025
  H     15.63646008      7.25610267    -13.20333872
  O     11.35521683      8.45901650    -13.51660702
  H     17.04788661      9.02916684    -13.16067990
  H     14.77386780      8.48138084    -12.76547601
  O     15.63377102     12.42948968    -11.23495765
  H     17.94782018      9.80453677    -12.15326386
  H     13.18829084      5.22369821    -11.90646182
  O     14.67726829     11.43437045    -15.23922620
  H     11.12995064     11.22311002    -14.54249277
  H     13.54944416      4.12861881    -10.87547617
  O     12.77260935      5.36333438    -15.86525903
  H      9.97006875     11.76550627    -13.67031865
  H     11.67310314      6.62195943    -13.15128656
  O     15.19732039      8.81538048    -15.98886467
  H     15.40050160      5.24176184    -12.24704572
  H     12.28950913      5.53525635    -14.04994438
  O     12.51120317      8.16677731    -16.05192571
  H     16.84102510      5.85594233    -12.32530461
  H     18.74277626      8.27013957    -14.22977892
  O     17.24694068      7.07775696    -16.83367822
  H     11.75369496      8.37646373    -14.39634931
  H     19.27781251      6.83451944    -14.14138781
  O     16.95046752     12.02162905    -13.80596091
  H     10.98061335      9.34643820    -13.47274715
  H     17.78422712      7.15640870    -10.62711296
  O     15.47638547      8.19541907    -13.36186835
  H     14.80419847     12.22860165    -11.69692408
  H     18.19707694      7.68607848    -11.99654103
  O     13.85823452      4.94697814    -11.25513235
  H     15.51401532     13.28242124    -10.82305454
  H     12.05130216     10.03714262    -16.23031540
  O     12.08773226      5.75106277    -13.13072795
  H     15.50293225     11.77238013    -14.86227388
  H     12.89668986     11.28772578    -15.90579277
  O     18.98019732      7.49683364    -14.76406112
  H     14.89273670     10.56339170    -15.60127605
  H     17.07765776      7.85703585     -8.23776331
  O     18.09926638      6.86954818    -11.49477480
  H     13.74152497      5.29676651    -15.78314627
  H     16.01623326      7.78147642     -9.36116974
  O     11.98872621     10.98064167    -16.03339502
  H     12.49323205      4.64116340    -16.42143990
  H     12.48927388     11.67094956    -12.91165159
  O     16.93784020      8.02874840     -9.16507544
  H     15.26852609      8.57546374    -15.05012791
  H     13.86893105     11.58149845    -13.60901718
  O     13.43955991     11.68162752    -12.74553119
  H     15.87993252      8.31101760    -16.44402679
  H     13.47955819     10.01559051    -11.95223723
  O     13.40366048      9.07412938    -11.75368013
  H     12.47615695      7.20407407    -16.11072953
  H     12.66538621      8.75354285    -12.29034702
          69
 Energy    -249.63695302255837     
  O     13.20614264     11.36774689     -8.85173848
  H     13.25149484     11.35897592     -7.89933851
  H     17.16447606     13.86755492    -17.26423745
  O     11.07490115     10.94339530    -15.59499148
  H     13.87987896     12.00120403     -9.15974371
  H     13.05529579     13.31367728    -12.52644915
  O     13.92430447      9.10534429    -10.46322918
  H     11.52876955     11.14420011    -16.42309011
  H     12.88015009     14.61317588    -11.71306978
  O     11.16006697     11.90043441    -10.70525239
  H     10.92858267     11.78677282    -15.14298029
  H     12.40123109     13.41595997    -16.90354571
  O     11.53304720      9.34126922    -11.88587039
  H     13.75194455      9.82437210     -9.84400109
  H     11.61565256     14.03963201    -15.72722769
  O     13.13743156      9.89523232    -14.08246916
  H     13.09149307      8.96914048    -10.93386680
  H     13.87176942     11.44641595    -13.55417716
  O     14.30180133     15.59821938    -10.95911910
  H     11.74265984     11.70808546     -9.95975201
  H     15.02329508     12.08989892    -12.71841853
  O      9.44455862      9.60614068    -13.67180948
  H     11.57116848     12.64051800    -11.17661989
  H     17.46419349     12.31360986    -15.11096854
  O     14.77183466     14.21905482    -15.14301113
  H     10.77123839      9.22702784    -12.47236005
  H     17.00389634     11.00392636    -14.45024648
  O     15.18135809     10.91528943    -16.97676950
  H     11.41869829     10.20810315    -11.47343942
  H     12.60968800     11.53066837    -18.67140955
  O     10.59484546     13.34725134    -14.20606463
  H     12.66960038      9.60582500    -13.28838283
  H     13.57492027     11.39850387    -17.47177520
  O     16.80985056     13.22747613    -16.65335080
  H     12.45728834     10.19665537    -14.69925726
  H     15.44164429      8.96252016    -11.28598426
  O     12.38732492     13.91275112    -12.15340969
  H     14.93529255     15.62567022    -11.69736023
  H     16.83599167      8.29586217    -11.33064709
  O     12.32486866     14.20995244    -16.35865279
  H     14.31450665     16.46197280    -10.55533364
  H     14.86222423      9.55121906    -14.45163598
  O     14.24317308     12.28471505    -13.25161341
  H      9.89778526      9.92600789    -14.46319815
  H     16.11690202      9.18871246    -13.66267013
  O     17.54207366     11.79499139    -14.30307323
  H      9.07853866     10.39364828    -13.25076996
  H     16.54634683     10.82428084    -11.63114062
  O     12.69257212     11.71124810    -17.73862999
  H     14.63171516     13.48334416    -14.52764892
  H     17.05723744     11.91510381    -12.59661764
  O     16.30383731      8.97331509    -11.73961603
  H     13.93069960     14.36004165    -15.59978531
  H      8.09183830     12.33860222    -11.80617467
  O     15.82823405      9.50875184    -14.52600144
  H     15.45754887     10.32414154    -16.26753416
  H      9.58938514     12.00489960    -11.63772434
  O     16.57494030     11.78095599    -11.76578162
  H     15.80332133     11.65379153    -16.96727907
  H     16.90331899     15.09992752    -13.04753967
  O      8.87472082     12.08682719    -12.29032401
  H      9.84896484     13.01646893    -13.69148307
  H     15.59223779     15.17639658    -13.84449051
  O     16.04209309     15.51351516    -13.05409107
  H     11.22842526     13.66947427    -13.54849836
  H     14.83898620     13.95479277    -10.12865984
  O     15.06429812     13.07992166     -9.79328999
  H     16.08348589     13.66336773    -16.17397311
  H     15.68773869     12.69012893    -10.42153705
          69
 Energy    -249.63597940969879     
  O     -2.37896541      4.70789746      4.68268312
  H     -2.04193972      4.65936727      3.77909307
  H     -1.78359036      2.87536568     -1.44892895
  O      0.73570086      1.45499941     -0.11134354
  H     -1.80345219      4.13996359      5.21196889
  H     -5.25815221      4.50226077      5.96864990
  O     -1.17893063     -0.15464217      3.17728709
  H      0.11761365      1.75386384     -0.78928942
  H     -3.99001906      4.26031524      5.11317098
  O     -4.22587820      0.72384494      0.24768773
  H      0.49698968      0.54147150      0.09003299
  H     -2.21311673      4.14164610      0.41848057
  O     -3.48169426     -2.87040803     -0.59378524
  H     -1.73717394     -0.92736584      3.32358133
  H     -3.60519665      3.83662746     -0.17154205
  O     -0.41400344     -1.01200226      0.65964678
  H     -1.78653734      0.58261006      3.00913103
  H     -5.46646164      3.06465841      3.85292544
  O     -4.17867941     -1.06603516      5.56500608
  H     -4.64142795      1.56065445      0.01383319
  H     -5.82430153      1.66616286      3.23238982
  O     -6.00761095     -0.07853317      3.56008542
  H     -3.60347895      0.44992097     -0.43971001
  H     -0.48191004      3.84476088      2.06726115
  O     -0.89695627      2.79723556      6.17143434
  H     -2.76373939     -3.21399095     -0.04811182
  H     -1.90317389      3.24144488      2.23203283
  O     -2.23828718     -0.30485829     -1.35203923
  H     -3.12329268     -2.09604978     -1.04382216
  H     -6.19375266      3.67011967      0.06965694
  O     -4.95209986     -1.62950363      1.41909769
  H     -0.58045865     -1.95481679      0.77169471
  H     -5.47531825      3.10095874      1.31284312
  O     -1.26398427      2.25714275     -1.99337597
  H     -0.60962975     -0.62113783      1.52443289
  H     -3.70279969     -2.04433345      2.65715818
  O     -4.84566880      3.87608275      5.38035794
  H     -3.85534485     -0.16596621      5.75041729
  H     -3.37285706     -1.98472893      4.16577788
  O     -2.67609381      3.94072525     -0.40623852
  H     -4.48140474     -1.42218521      6.39641999
  H      1.10286947      2.52048342      1.19777944
  O     -5.56957571      2.57940302      3.02518232
  H     -5.48074222     -0.41798676      4.29298675
  H      2.05746296      3.58787525      1.78168617
  O     -1.41900191      4.07284998      2.10446251
  H     -5.84735782     -0.68604240      2.82677559
  H      0.92153357      2.13530687      3.52197642
  O     -5.36765377      3.29661901      0.36579884
  H     -0.37653394      2.92577657      6.95981704
  H      0.10484341      0.89333519      3.94672158
  O     -3.02252510     -2.26782719      3.31148708
  H     -0.30957997      2.38318260      5.51424991
  H     -3.99382547      2.23281173      5.90695918
  O      1.23890560      3.12774830      1.94717433
  H     -1.59947170     -0.55712273     -0.66862679
  H     -2.52235180      1.84207843      6.12215716
  O      0.63196698      1.62867229      4.29007984
  H     -1.90361839      0.51378487     -1.74043035
  H     -1.98345989     -3.19879462      2.13471890
  O     -3.41347366      1.47754575      6.05527751
  H     -4.64120023     -2.22540633      0.72404603
  H     -1.15843909     -4.41015774      1.64917586
  O     -1.47190042     -3.54824598      1.38628604
  H     -4.78437178     -0.74362984      1.06174464
  H     -3.23473720      1.37973081      1.61346581
  O     -2.93250800      1.78418175      2.43887724
  H     -1.08690853      2.70136986     -2.81837650
  H     -3.74040890      2.07063153      2.87976915
          69
 Energy    -249.63435979410110     
  O     14.70875592      9.56289924    -10.48266001
  H     15.44003752      9.88645339     -9.94151548
  H     17.49283058      4.52923437    -12.44355351
  O     12.98260993     10.45722900    -16.19222289
  H     14.47748979     10.22800273    -11.14485758
  H     12.48269986      7.26341123    -10.57885071
  O     16.69064419     10.83261376    -13.73753786
  H     12.97980844     11.31455116    -15.74851430
  H     13.59929942      8.14744041     -9.99287336
  O     13.56244446      5.23577606    -12.83719932
  H     12.81585841      9.80219887    -15.50227859
  H     18.28625616      7.89785148    -15.30194771
  O     17.33440163      7.20573803     -8.96736567
  H     17.29533371     10.85251195    -12.98233605
  H     19.71477969      7.39595272    -15.61211817
  O     15.92622077     12.54258549    -15.81991527
  H     15.79292899     10.85004531    -13.38098787
  H     14.34201432     12.88575942    -15.14088062
  O     16.14702143      7.77721147    -12.07750376
  H     14.07501531      5.66841174    -13.53047552
  H     13.13330440     13.78656292    -14.78600080
  O     14.04767339     10.94799510    -12.78598892
  H     14.13648935      5.19515891    -12.06286147
  H     13.63935173      8.09945945    -14.21185489
  O     18.94592598      8.01979372    -12.22583049
  H     18.12438284      6.80251104     -9.34870529
  H     12.32147660      8.19890290    -13.40622889
  O     18.28687059     10.62023474    -11.52182341
  H     16.60111388      6.64307304     -9.23640922
  H     14.45524777     10.31177868    -17.12133746
  O     17.35751643      5.12701977    -14.17176221
  H     16.36209859     12.06980976    -15.09606169
  H     15.16660434     10.28602174    -18.49493442
  O     17.57763770      4.36194426    -11.49320884
  H     15.83533188     11.89783888    -16.53126344
  H     10.66643242      6.55221197    -12.27865051
  O     13.13914977      7.30431616     -9.87440027
  H     15.70449693      8.45072889    -11.54503355
  H     12.17349783      6.25891610    -12.47372389
  O     19.01124760      7.34199012    -14.96993041
  H     17.09892133      7.93472744    -12.06387959
  H     14.47792927      6.12076967    -10.13615511
  O     13.45419831     12.89035440    -14.73957987
  H     13.76942282     11.70474979    -13.31591121
  H     15.67043402      6.37192024    -11.08110672
  O     12.91560356      8.69653807    -13.98209108
  H     13.61581475     10.16862777    -13.16644438
  H     18.83060377      5.30308821    -10.80209372
  O     15.32755200     10.29743806    -17.55535629
  H     19.09179279      7.75183857    -13.14124251
  H     20.19727127      5.45438238    -10.08617889
  O     11.52889219      6.95930711    -12.26641564
  H     19.24313020      7.30593271    -11.64670624
  H     15.64667163      7.57449246    -15.06611342
  O     15.27162491      5.70114041    -10.50281449
  H     18.68977699      9.76812098    -11.74303287
  H     15.48325446      7.26410456    -13.56967837
  O     19.45499859      5.94891343    -10.42138977
  H     17.92459851     10.50947839    -10.63555649
  H     17.17924594      8.96505339     -8.95450015
  O     15.14954551      7.01934801    -14.45190677
  H     18.03772966      5.74301302    -14.46956677
  H     17.23339976     10.28016368     -8.14392261
  O     17.05891953      9.92952628     -9.01346271
  H     16.52709300      5.56399920    -14.38666209
  H     16.40043999      9.29942253    -16.43277696
  O     16.83674745      8.88199012    -15.67991627
  H     16.72812136      4.58263182    -11.09321202
  H     16.82825657      9.53309778    -14.96014515
          69
 Energy    -249.63361666160250     
  O     13.90491722     13.46396367    -13.69614206
  H     14.60956888     12.80451518    -13.78426023
  H     14.10742866     10.63533024    -14.54575823
  O     15.54137839      9.47588532    -17.96147367
  H     13.41011430     13.42879897    -14.52176126
  H     15.95133523     12.65923840    -16.97514205
  O     15.35255364      8.57743790    -11.83420647
  H     15.43522663      9.13302357    -18.84595085
  H     15.34861511     11.33777939    -17.53701933
  O     17.80432702     14.23063313    -13.72640938
  H     14.95415855      8.95405368    -17.38923861
  H     13.59393431     12.65095282    -16.64727200
  O     14.06191985      8.10421869    -16.08848833
  H     15.90132720      9.30086116    -11.50611549
  H     12.16108040     13.21323270    -16.83037420
  O     14.26758533      6.03247021    -11.36518111
  H     14.46047180      8.93467703    -11.95242750
  H     19.96517001     11.77096173    -12.33276966
  O     15.15146012      4.85940549    -13.64556829
  H     18.28665446     13.57045822    -13.21812656
  H     18.85081465     11.53730146    -13.38112050
  O     15.64603220     11.26452067    -13.87736851
  H     17.09983456     14.54882519    -13.14318995
  H     12.87297583     11.22310967    -11.54835648
  O     12.74028416      9.49147299    -12.28021188
  H     13.63886233      8.88577937    -15.70110921
  H     13.18465803     12.61605325    -12.15428488
  O     16.08876848      7.43882611    -14.29563703
  H     14.77650276      7.85533966    -15.48252414
  H     17.04449832      8.96953671    -16.88210222
  O     18.27172467     11.10645289    -14.97568102
  H     13.34419483      6.25739550    -11.53289243
  H     17.23280941      8.23866058    -15.53066268
  O     13.22032032     10.38204321    -14.85007841
  H     14.74243161      6.87577007    -11.35751138
  H     13.05970768      6.66237178    -15.33255570
  O     15.13961594     12.24815287    -17.29660437
  H     15.51329440      3.98727604    -13.51669209
  H     13.52166895      5.47296202    -14.47001190
  O     12.74169397     12.80211517    -16.19689248
  H     14.86882140      5.18197629    -12.77016442
  H     15.04421534     13.13179286     -9.01895481
  O     19.03239883     11.89049157    -12.49147766
  H     16.47581351     11.21224737    -14.36391896
  H     14.41172227     12.63988585    -10.34400176
  O     13.07804701     12.13830497    -11.32090772
  H     15.87743917     11.13721981    -12.94802266
  H     16.26675748     11.62873772    -10.73399066
  O     17.69256504      8.76937966    -16.19626536
  H     12.76971096      9.77787955    -13.20496436
  H     17.54142673     11.27823384    -11.56734407
  O     12.74222993      5.98340937    -14.72416533
  H     12.27498197      8.64606154    -12.25867327
  H     10.83379913      6.51131051    -12.22578932
  O     15.24747670     12.91881042     -9.92551083
  H     15.90464487      7.89573764    -13.46305509
  H     11.99901085      6.56146640    -13.24259229
  O     16.68016403     10.94747119    -11.28107380
  H     15.91622093      6.50176986    -14.13963047
  H     14.98011343     14.55951940    -12.62749391
  O     11.70081348      6.88016505    -12.37200566
  H     18.17103763     10.26836157    -15.45095468
  H     15.62184820     14.31105913    -11.25455754
  O     15.70038869     14.84917624    -12.05021907
  H     18.14357469     11.83878939    -15.59107483
  H     18.00453404     14.06817895    -16.85097808
  O     17.52520190     13.45417455    -16.30064772
  H     12.86593135     11.14844919    -15.31519073
  H     17.56930895     13.80531593    -15.39172629
          69
 Energy    -249.63324488575853     
  O     18.19549301      9.62845627    -15.23476270
  H     18.88117764      9.17534963    -14.71585333
  H     20.16538083      4.37622697    -13.34765266
  O     21.46758559      7.74313714    -11.54112204
  H     18.61497029     10.38934650    -15.63086581
  H     16.57669240      9.84436693    -14.23755223
  O     15.48969898      7.77011976     -9.41660785
  H     20.80178306      8.06848345    -10.90863798
  H     16.29100540      9.72292981    -12.72685299
  O     13.37643457     10.46335452    -12.28504716
  H     22.31695052      8.02800871    -11.21457101
  H     18.65933668      7.16364963    -13.12702901
  O     11.88594471      8.18967926    -13.41654480
  H     14.75221959      8.39617743     -9.35971877
  H     17.30535888      6.45112912    -13.38402426
  O     18.25404781      5.22708534    -10.45590506
  H     15.19778621      7.08089411    -10.02869294
  H     15.02036199      6.79645382    -14.24838009
  O     14.33000720      6.06435049    -11.32061660
  H     12.77651983      9.84910034    -12.72207946
  H     14.95265955      8.26787265    -13.73151268
  O     20.73549667      4.93671030    -11.73166733
  H     14.19860205     10.42870672    -12.78956910
  H     17.74960243      6.80780331     -7.32786469
  O     16.10162896      3.85186221    -11.56750594
  H     12.77902239      7.86866720    -13.63640830
  H     16.96942961      7.28507734     -8.57415181
  O     17.11281155      3.21466024    -13.99087689
  H     11.40423272      8.24860512    -14.23741298
  H     20.30017992      5.39013424    -15.31722075
  O     20.07133999      8.07577247    -13.92589504
  H     18.15633877      5.75800465     -9.65749609
  H     21.29038773      5.85620003    -16.41420137
  O     19.81179565      4.19566860    -14.23186677
  H     18.12069152      5.81870234    -11.21353211
  H     12.63827367      8.60228957     -9.95233726
  O     15.86286778      9.83821832    -13.58992030
  H     14.45581755      6.52957132    -12.15936445
  H     13.34254447      9.83641715    -10.53216796
  O     17.85422241      6.84833540    -12.69743526
  H     13.41883780      6.24351244    -11.05765429
  H     18.77774147      9.00944533    -10.37969004
  O     14.46396237      7.43431493    -13.77909553
  H     21.07824020      5.83302909    -11.64557643
  H     19.10724900      8.08685763     -9.20844663
  O     17.83917603      6.98087202     -8.26135268
  H     19.95182024      4.90401781    -11.16597971
  H     16.86618367      6.13230798    -15.52370582
  O     20.56365018      6.14912353    -15.87251922
  H     16.85521932      4.18425511    -11.05988808
  H     16.55927114      4.83704011    -14.68022108
  O     13.26378492      9.30068960     -9.72929649
  H     15.40684164      4.51412101    -11.46644290
  H     17.96264396      7.97749504    -16.26173387
  O     19.51953410      8.63457337     -9.88673355
  H     16.73353237      3.37963220    -13.10845037
  H     18.85983444      6.73923383    -16.46770618
  O     16.32211356      5.76266578    -14.81181953
  H     16.89288477      2.31588829    -14.22038343
  H     10.84185603      6.77943947    -10.64315998
  O     17.95567490      7.06354865    -16.57010990
  H     20.65182902      8.01671138    -13.15593221
  H     11.65673215      7.48304448    -11.75152125
  O     11.71446288      7.09696628    -10.86239800
  H     20.36930633      7.43088115    -14.58308475
  H     17.36181562      8.29154490    -11.79422347
  O     17.11536185      9.07900648    -11.28203404
  H     18.93657066      3.81171622    -14.11762573
  H     16.50956611      8.76966247    -10.59625693
          69
 Energy    -249.63232094214831     
  O     15.80908698      9.51314955    -16.31473662
  H     14.98538211      9.22690087    -15.90259446
  H     18.13202045      7.66340899    -17.83518962
  O     13.93596977      4.55581144    -13.82218931
  H     16.44094644      9.65899068    -15.60052072
  H     15.92402431      6.05955815    -15.78779316
  O     17.95691023      5.35506861    -11.97377129
  H     13.93856503      4.85812594    -14.74064000
  H     16.83634627      6.55210148    -14.63206527
  O     20.02315469      4.96879012    -18.23894559
  H     14.78303189      4.12222983    -13.64394043
  H     13.52414288      8.12050717    -14.25645056
  O     17.30629280      3.94412145    -18.35988789
  H     18.82560268      5.37744839    -12.39232186
  H     12.55923373      8.92828774    -15.15263239
  O     13.87075003      6.15931230    -10.26815813
  H     17.49510798      6.15156798    -12.28004616
  H     14.23055750      2.90388370    -10.79788179
  O     16.64861839      7.48251290    -13.04021702
  H     19.60132069      5.79224209    -17.93757768
  H     15.56126082      3.34273259    -10.16092621
  O     17.37633251      3.35259455    -15.58385386
  H     20.63320112      5.20786101    -18.93159809
  H     13.79223591      6.81990669    -16.03489208
  O     12.67657546      3.83581351    -11.46607956
  H     18.23468015      4.18014987    -18.46449271
  H     14.42919995      5.89607276    -17.13055722
  O     19.70408160      8.11927038    -14.83360785
  H     17.24767513      3.52841018    -17.48981396
  H     21.22658820      5.56570459    -13.10526200
  O     20.08058261      4.01251293    -15.56176129
  H     13.36873443      5.37377195    -10.52234597
  H     20.27460057      5.05696932    -14.20998936
  O     18.66843467      7.12489081    -17.24055955
  H     14.73957717      5.83778803     -9.99771211
  H     15.93772733      2.87996905    -12.23706019
  O     16.83551012      6.06993929    -15.46695024
  H     15.69109003      7.49001553    -12.91230966
  H     16.92686312      3.97066868    -12.71892196
  O     13.41236157      8.50062850    -15.14383085
  H     16.93584457      8.36040708    -13.31913201
  H     16.97034342      5.10155038     -8.88344044
  O     15.13435210      2.61135107    -10.62529210
  H     17.23070518      4.31212869    -15.57790446
  H     17.05198196      5.11337575    -10.42424734
  O     14.12434618      5.93238681    -16.20891238
  H     16.99987965      3.04490672    -14.75080291
  H     16.02715197      5.22835639    -18.60367830
  O     20.34257126      5.66395849    -13.45038132
  H     13.01484354      4.04256071    -12.35339399
  H     15.82962575      6.76427324    -18.73217038
  O     16.30078451      3.30269770    -13.02777718
  H     11.80128730      3.47557361    -11.58445663
  H     13.91542286      6.27128715    -13.19776388
  O     16.44676893      4.99547534     -9.67434335
  H     19.49041942      7.82074247    -15.72845549
  H     13.84142006      7.01095200    -11.84971714
  O     15.36195578      5.93337462    -18.59711579
  H     19.93781770      7.32990472    -14.33171569
  H     18.47115451      9.24838404    -14.40791394
  O     13.91467642      7.15648125    -12.80400556
  H     19.19787916      3.61720290    -15.53551809
  H     18.02816675     10.62112569    -13.84179783
  O     17.69566652      9.79332476    -14.17772049
  H     20.22148534      4.26512545    -16.48159379
  H     16.35964094      8.89999627    -17.84397904
  O     16.71750357      8.50689634    -18.66082292
  H     18.04035400      6.69570308    -16.63754652
  H     16.60332084      9.15478255    -19.35055494
          69
 Energy    -249.63226621025001     
  O     14.17365855      8.98824175    -10.56370745
  H     14.28829780      9.76850852    -11.11892593
  H     17.23910696      4.73943738    -11.16204960
  O     13.18638806     10.89802084    -16.08644462
  H     14.91274177      8.89094100     -9.94387596
  H     12.88980891      7.78431774    -10.30731622
  O     16.99354467     10.74710893    -13.45153848
  H     12.97375117     10.12984026    -15.54148292
  H     12.10547904      6.74622668    -11.12823006
  O     13.57274686      4.14180806    -13.16358180
  H     13.19119624     11.65561495    -15.48788154
  H     18.77003814      7.87698895    -13.65718575
  O     16.08506453      8.00291609     -8.86985437
  H     17.49726703     10.15188156    -12.88112845
  H     18.42790588      8.04691973    -15.14766773
  O     16.21777792     12.84307199    -15.18057556
  H     16.07342449     10.70870465    -13.15323255
  H     14.59769655     13.07150262    -14.55088037
  O     15.63789903      7.30565308    -12.27793472
  H     14.31136021      4.30613082    -13.77998908
  H     13.38875862     13.90824063    -14.06361383
  O     14.28929389     10.70830644    -12.72149828
  H     13.28623601      3.24466534    -13.31452477
  H     13.77590053      8.27919468    -14.64172265
  O     18.08985738      8.60347040    -12.06891300
  H     15.57195929      7.20032475     -8.71674415
  H     12.51254512      8.03888882    -13.79988334
  O     18.40702634      4.82921637    -14.13439813
  H     16.97281037      7.71770937     -9.11692580
  H     15.45768644     11.24893639    -18.29299654
  O     15.63427058      4.70019462    -14.77913338
  H     16.66676967     12.25036265    -14.56212928
  H     14.70732389     10.96083883    -16.97180935
  O     18.17264749      4.95877932    -11.28941388
  H     16.12773299     12.34652343    -16.00355076
  H     12.47196438      5.61923226    -13.09083798
  O     12.37078172      6.96756939    -10.22975352
  H     15.64596052      6.42219903    -11.89061622
  H     11.01672976      6.08085681    -13.30456861
  O     18.87797669      7.46391117    -14.52469103
  H     15.06923719      7.85347632    -11.72146258
  H     13.90028436      5.38428135     -7.92475771
  O     13.68709618     13.01490597    -14.20833106
  H     14.00804217     11.55618811    -13.08626609
  H     13.50711807      6.13443061     -9.22087703
  O     13.00456335      8.72700035    -14.25910180
  H     13.82001501     10.02249267    -13.21891154
  H     14.99808475      4.98996444    -10.23790146
  O     15.59096187     11.07019638    -17.36606414
  H     18.46587557      8.27193779    -11.24622195
  H     14.72368673      4.45640346    -11.68289354
  O     11.87378778      6.37772624    -13.00423556
  H     17.24274856      8.14092835    -12.16351580
  H     18.55463185      6.32717010    -10.28194772
  O     14.24992599      5.71744449     -8.74658875
  H     18.59218855      5.76667195    -14.32420540
  H     19.45038205      6.97870180     -9.20154697
  O     15.41292253      4.75776102    -11.08003305
  H     19.08735503      4.32474710    -14.57331264
  H     15.46513187      7.37892700    -14.04238380
  O     18.68753891      7.13389511     -9.75168721
  H     16.57107645      4.63723281    -14.55740930
  H     15.95015729      8.03400259    -15.37283579
  O     15.29255133      7.43512590    -14.99701066
  H     15.49109965      5.61867563    -15.04925310
  H     16.71140003      9.84770315    -16.49954509
  O     17.15867724      9.30873735    -15.83610003
  H     18.32953833      4.88581444    -12.23818048
  H     17.14462072      9.82805081    -15.01773317
          69
 Energy    -249.63194509336168     
  O     11.58609701      9.85999153    -13.77893556
  H     11.77622282     10.68147388    -13.31107175
  H     13.63403834     13.22690594    -15.36644507
  O     17.28208541     10.68336499    -10.99367294
  H     11.98110646      9.95024388    -14.65728525
  H     15.94179295     10.03010137    -14.79902194
  O     16.64543887     13.76035584    -14.47749259
  H     16.33239342     10.80683923    -11.13893842
  H     15.09771843      8.89977507    -14.15047767
  O     15.06216689      8.05801913    -16.84098171
  H     17.40585665     10.42425677    -10.07283501
  H     11.94573597      8.32123604    -13.11545043
  O     15.57218070      7.59090190     -8.49322691
  H     17.07026085     14.60134683    -14.32824246
  H     11.45118659      6.89936155    -12.75583925
  O     16.10935278      6.59027292    -11.87403831
  H     17.21477527     13.08787011    -14.06465701
  H     18.51754849      6.71857820     -9.58170917
  O     14.62389868     10.79015080    -11.68571382
  H     14.95377729      7.51428976    -16.04974300
  H     18.97517433      7.75586892    -10.62369700
  O     16.25450129     12.53361923    -17.01681250
  H     14.32256213      8.67903984    -16.81519353
  H     13.77551039      7.13031959    -13.80428226
  O     17.03292872      5.50646671     -9.44022777
  H     16.18239645      8.33242528     -8.39883729
  H     15.24043641      6.73863022    -13.50359636
  O     17.01558013      9.96056141    -16.32185201
  H     14.94210012      7.84024521     -9.18325389
  H     18.62619634     11.13690844    -13.82868121
  O     19.16894040      9.40688547    -14.60198152
  H     15.43230021      7.16688676    -11.48749088
  H     17.98561238     11.55347599    -12.48397193
  O     13.82152972     13.40675212    -14.43756388
  H     16.44223089      6.04489745    -11.15160009
  H     17.48959595      7.72315288    -12.22921782
  O     15.26297184      9.85322728    -14.13589814
  H     13.85271876     11.35969011    -11.78233454
  H     17.86141062      9.18472657    -11.85632102
  O     12.22562672      7.45503690    -12.76642918
  H     14.86911181     10.51102195    -12.58471930
  H     18.26925979      8.82410468     -8.82675209
  O     19.06112690      7.50901915     -9.69370373
  H     16.47717616     13.02118505    -16.21413867
  H     18.14979475      9.86067045     -7.68316797
  O     14.66110476      7.09688950    -14.18923374
  H     16.58319240     11.63341115    -16.88026069
  H     14.54818905     12.62586706    -17.22491025
  O     18.24000471     11.88200766    -13.35656656
  H     16.93245365      4.70812742     -8.92957080
  H     13.28273739     13.11018526    -17.97575888
  O     18.19939686      8.37791982    -12.27241472
  H     16.47765927      6.18682726     -9.01621042
  H     13.36984120      7.91067920    -11.36015764
  O     17.70524983      9.52800762     -8.45861023
  H     17.80649208      9.64400640    -15.86959059
  H     14.25248884      9.14231557    -11.03648269
  O     13.57433400     12.66520962    -17.18540597
  H     16.47841731      9.20465179    -16.60398935
  H     12.88306160     12.72180576    -13.17867262
  O     14.09934371      8.21505883    -10.80588735
  H     20.08573512      9.17277632    -14.72284563
  H     11.81555857     12.93757048    -12.07842315
  O     12.38832610     12.28020667    -12.46331189
  H     18.86600100      8.94750087    -13.80028891
  H     13.87822803     10.15855085    -15.37423120
  O     13.18872213     10.12551697    -16.05343335
  H     14.77662930     13.53369204    -14.37641184
  H     13.23144860     10.96710682    -16.52460885
          69
 Ord_Energy   -249.631882    
 O   -4.17786789       1.02277052       4.18180752    
 H   -3.37245393       1.55508888       4.26884937    
 H   -4.00151825      0.362183720       3.49465489    
 O   -3.92682123      -1.06845200       2.38906193    
 H   -4.08461523      -1.82082391       2.97086453    
 H   -4.73905182     -0.939687133       1.88054562    
 O   -5.36683941      -1.74830937      -1.36249316    
 H   -4.57833958      -1.18561304      -1.44598937    
 H   -5.76157808      -1.79617214      -2.22968960    
 O   -6.40989828     -0.882023036       1.10581660    
 H   -6.69666767      -1.68850744       1.55386853    
 H   -6.16948414      -1.13286269      0.203670397    
 O   -1.76292861       2.29974127       4.25081110    
 H   -1.67097294       2.64314485       3.35083103    
 H   -1.05956519       1.64716136       4.34797144    
 O   -2.41450930       3.45336676      -2.01428890    
 H   -2.07622433       2.68790936      -2.49456263    
 H   -3.02413368       3.09974790      -1.35142207    
 O   0.135200202      0.457585335       1.44258785    
 H   0.283731192      0.342121065       2.38910651    
 H  -0.482993931     -0.237649411       1.17050302    
 O   0.673083484       1.62335396      -1.07508957    
 H   0.647301316       1.17234147     -0.220800757    
 H   0.530491114       2.56008482     -0.890026987    
 O   -6.75282431      -3.35937977       2.43236089    
 H   -6.09105968      -3.31127954       3.14295220    
 H   -7.47466898      -3.88736844       2.76393795    
 O  -0.268987089       4.28996515     -0.563351929    
 H   -1.04190230       4.10319138      -1.12645948    
 H   -1.73604600E-02   5.19401503     -0.728795469    
 O   -4.85449409      -4.02835751      0.338007152    
 H   -5.54330921      -3.91107368       1.00188756    
 H   -4.99191093      -3.32396722     -0.306760669    
 O   -4.16421413     -0.978757262       6.02382946    
 H   -4.40094662     -0.696440935       6.90312386    
 H   -4.23726988     -0.197163552       5.44805861    
 O   -1.17204773       1.02274883      -2.97079968    
 H  -0.737171113      0.836285293      -3.79821134    
 H  -0.469251662       1.17992592      -2.31424165    
 O   -3.19044232     -0.105494156      -1.42076135    
 H   -3.42007184      0.658182800     -0.867141962    
 H   -2.52497816      0.193668693      -2.05261660    
 O   0.216242313      0.190129414       4.24888515    
 H   0.966135979      0.169636533       4.83810520    
 H  -0.384389639     -0.518351436       4.53989029    
 O   -4.72352839      -3.08142447       4.25820780    
 H   -4.63512087      -2.42244768       4.96004868    
 H   -3.91440654      -3.61142993       4.25189686    
 O   -5.78772449       1.78526270       1.89975619    
 H   -6.18946409      0.937583864       1.66877913    
 H   -5.39692926       1.67434824       2.77515459    
 O   -1.51656961      -1.71814430       5.09992027    
 H   -2.35247445      -1.44955003       5.49743748    
 H   -1.65763152      -2.60417485       4.74540424    
 O   -1.40594387       2.78079772       1.52345347    
 H  -0.987097621       3.41912770      0.933947384    
 H  -0.872499645       1.97307861       1.48388565    
 O   -1.80093277      -1.33287215      0.679949403    
 H   -2.18218446     -0.997004151     -0.140591010    
 H   -2.49529243      -1.22920001       1.34970355    
 O   -2.22173238      -4.27686262       4.04556084    
 H   -2.18941212      -4.22326708       3.07175517    
 H   -1.82846367      -5.10981989       4.28942823    
 O   -3.71302986       2.11062264      0.109169953    
 H   -4.48996639       2.08621216      0.683943391    
 H   -2.95331478       2.33549190      0.664258122    
 O   -2.27716184      -4.01880884       1.38797152    
 H   -3.15575647      -4.12190914      0.994105875    
 H   -1.93834746      -3.17836571       1.05590725    
          69
 Energy    -249.63179029317055     
  O     15.27061316     10.92946746    -11.36773189
  H     14.44064023     10.94854582    -10.87983945
  H     14.28000569      7.98012628    -14.17714881
  O     13.02566644      6.61926730    -11.82027685
  H     15.93710780     10.47843886    -10.82495389
  H     15.74442265      5.17180132    -15.79478861
  O     17.45690444      9.92858248    -14.94451505
  H     13.33040396      5.73137720    -12.04111440
  H     14.75141849      6.07687225    -15.01645318
  O     17.76809840      8.30752050    -12.68026389
  H     13.76637970      7.22175124    -12.00035752
  H     16.87578699      5.55418992    -13.96148366
  O     16.23172875     12.02882665    -13.72806533
  H     17.20825518     10.74269394    -14.48119019
  H     18.38150965      5.69060445    -14.24099653
  O     13.30661059      8.06468747     -9.44159767
  H     16.68263792      9.69747666    -15.47458016
  H     15.93726316      8.22577536    -12.59467578
  O     15.10584710      9.53593558    -16.45608935
  H     17.88812423      7.39518790    -12.97504527
  H     14.90324631      9.31269761    -12.28149999
  O     13.75548067     11.66124101    -15.16468555
  H     17.74732060      8.86962020    -13.46672596
  H     12.88021117      9.67333955     -9.96647266
  O     16.71909914      5.29853060    -17.35217073
  H     15.41863268     12.04955296    -14.24628602
  H     12.18027457     11.02014072     -9.67418072
  O     11.33549907      7.78802212    -13.63643428
  H     15.95668983     11.74913555    -12.84259940
  H     13.99744703      3.27572760    -12.74352537
  O     16.36331264      5.28724462    -11.08348317
  H     14.20226960      7.78948443     -9.20787372
  H     14.57474886      4.48371447    -13.51680091
  O     13.82905175      7.62004590    -14.95980582
  H     13.03325332      7.45729150    -10.14126988
  H     11.87151241      9.60940281    -13.35474598
  O     15.28990459      5.27496330    -14.94866275
  H     14.61429166      8.80650822    -16.05132496
  H     12.35864453     10.55078638    -12.23381350
  O     17.72929879      5.67428106    -13.52542133
  H     14.66543852     10.34006991    -16.15355379
  H     16.10348784      6.42508848     -9.76637487
  O     14.99073667      8.41396342    -12.62192128
  H     13.23236338     11.25156369    -14.45379594
  H     16.29361330      6.66146911     -8.25339798
  O     12.67600856     10.54949124    -10.33895751
  H     13.23336113     12.38567644    -15.50045722
  H     19.28300665      6.84610469    -16.09904841
  O     14.20431485      4.20333349    -12.66266794
  H     16.71041923      6.23424066    -17.62449695
  H     18.42340819      5.61400264    -16.43128999
  O     12.26914769     10.47236332    -13.19120475
  H     16.70716762      4.78032134    -18.15252258
  H     17.56405215      9.04171295    -10.96365687
  O     15.93982312      7.05817785     -9.04589545
  H     11.82615387      7.32907626    -12.93272663
  H     16.79323012      8.62802199     -9.69755253
  O     19.14026527      5.92086838    -15.86303564
  H     10.44673821      7.44303621    -13.62619502
  H     17.71337876      8.23210735    -17.65605702
  O     17.17592159      9.39018781    -10.14848530
  H     17.01164752      5.37770840    -11.79371420
  H     16.20135802      8.54547043    -17.60708082
  O     16.85155444      7.92854983    -17.96809623
  H     15.61842856      4.82430730    -11.48225048
  H     19.99594394      9.24604880    -16.82313091
  O     19.24577386      8.69874888    -16.60512197
  H     12.88922303      7.63192027    -14.74883489
  H     18.70807118      9.20355142    -15.97141971
          69
 Energy    -249.63161059947646     
  O     11.87572128     10.66894975    -13.40805371
  H     12.32929115     11.41203302    -12.99753824
  H     15.61371006      7.80407294    -16.93695633
  O     17.04179750      7.39309425    -14.25356503
  H     12.23746441     10.60960117    -14.30458241
  H     20.47035984     10.81306021    -15.02181536
  O     17.73257321     10.44547733    -11.07687346
  H     16.89214397      7.33873959    -15.20569309
  H     19.44937616      9.99956524    -14.19232463
  O     15.63495675     13.68093447    -13.83045233
  H     16.43090787      6.80738619    -13.78524101
  H     16.11932316     10.24869401    -14.81011939
  O     13.93573072      7.83207130    -16.68081135
  H     16.76842847     10.48119031    -11.16654879
  H     15.98885219      8.89389050    -14.10161534
  O     15.96462109      7.11206716     -9.11766817
  H     17.91641263      9.97251791    -10.25613248
  H     10.76495949      7.94701631    -12.27635257
  O     15.32305038      6.04485511    -12.58353530
  H     15.88508360     14.58950328    -13.98332772
  H     11.71967903      9.05591322    -12.77462694
  O     15.03740112     10.51818691    -11.60030446
  H     16.44888688     13.21321365    -13.57147105
  H     19.30147590      7.48874478    -11.59839438
  O     15.09496817     12.46212898    -16.42540138
  H     13.62175818      7.30821702    -15.92855581
  H     18.97883766      7.54441272    -10.09554386
  O     17.20284075      5.07982976    -10.73455412
  H     13.59291815      8.72396095    -16.54375397
  H     12.59425269      7.06045468    -13.76769928
  O     17.16546745     10.53808060    -16.35077185
  H     15.21189917      7.40814638     -9.64681076
  H     13.86054393      6.18785306    -13.80621252
  O     16.58828347      7.80692404    -16.99521863
  H     16.30244479      6.32166797     -9.55637097
  H     17.92010025     11.83053430    -12.33841915
  O     19.53924345     10.72292480    -14.83643734
  H     14.90380779      6.72867875    -12.04031040
  H     18.50729345     11.95892588    -13.75504389
  O     15.61137495      9.78167724    -14.13437679
  H     15.93344521      5.57490482    -12.00185901
  H     18.33265391      8.26265051    -13.42335520
  O     11.68344785      8.14055896    -12.44451849
  H     15.22243843     10.28047153    -12.52515436
  H     18.52853229      9.35810154    -12.32108829
  O     19.19596439      6.93687971    -10.81393317
  H     14.47625600     11.30008202    -11.63204549
  H     17.30290655      8.20368004     -8.89597681
  O     13.15614164      6.54641817    -14.35948113
  H     15.25074044     12.90895905    -15.58560525
  H     18.33071214      8.87416468     -7.95266715
  O     17.91231797     12.38607298    -13.12893908
  H     15.86526912     11.89408946    -16.56615359
  H     13.18658290      7.97804662    -11.38179927
  O     18.99460627      8.80417999    -12.96493027
  H     17.96108975      5.68590741    -10.81194413
  H     14.40573563      8.89292473    -11.13373114
  O     18.10965138      8.74995198     -8.87157688
  H     17.55613054      4.22495350    -10.50373686
  H     14.21307014     13.12037644    -12.84204378
  O     14.07428553      7.99341542    -11.00171730
  H     18.04347992     10.59368634    -15.95297936
  H     13.15594368     13.53578948    -11.79559036
  O     13.51400804     12.78245132    -12.25921495
  H     17.04053391      9.63201471    -16.66294490
  H     14.04052337     10.05676475    -15.10363603
  O     13.37539204     10.40799623    -15.71492190
  H     16.81724259      7.31735687    -17.78011479
  H     13.79322342     11.18527152    -16.11062682
          69
 Ord_Energy   -249.631607    
 O   -3.31696486       1.36131120      -1.95854735    
 H   -2.51497960       1.22481620      -1.42928267    
 H   -4.05000544       1.32719743      -1.33488810    
 O   0.790326416       2.35722351       2.78153610    
 H   -8.53898823E-02   2.39560008       3.18366575    
 H   0.692812979       2.74389052       1.90054190    
 O   -5.05382156       1.07027256      0.251030773    
 H   -4.70581150      0.185453132      0.452506274    
 H   -6.00234747       1.01723051      0.338839382    
 O   -1.91680717       2.24996877       3.63382077    
 H   -2.35847950       2.48044658       4.44625187    
 H   -2.46193671       2.60021257       2.90503049    
 O  -0.138676465     -0.460550725      -4.20589352    
 H   -1.09794223     -0.578412592      -4.08188295    
 H    7.11244792E-02 -0.796461761      -5.07313251    
 O   0.164591357      -1.97349787       2.44019198    
 H   0.903209805      -1.36329162       2.56051278    
 H   0.406460494      -2.54110003       1.69186866    
 O   0.715752304      -3.50361252      0.213190883    
 H   0.694504380      -2.86012411     -0.505424678    
 H   -1.44684296E-02  -4.11311769       4.97947484E-02
 O   -1.80869889       3.53500128      -2.86512232    
 H   -1.85376847       4.07771540      -2.07023597    
 H   -2.45740843       2.83341169      -2.71709251    
 O   -1.85448647       4.74875736     -0.232371017    
 H   -1.70479167       5.67356300      -5.06346300E-02
 H   -1.01149595       4.29159784      -6.86230510E-02
 O   0.353878558       3.18217683      0.142097205    
 H    1.15977311       3.14613724     -0.387285560    
 H  -0.150445744       2.38360119      -8.22799802E-02
 O   -3.37681723       3.06618786       1.51596940    
 H   -2.97685289       3.63883615      0.850216687    
 H   -3.96207762       2.45217299       1.05826914    
 O   -2.28930616      -2.45252633      -1.30646110    
 H   -1.40230441      -2.06967545      -1.33433878    
 H   -2.18103671      -3.36576247      -1.01199532    
 O   -1.76440740      -7.48071894E-02   2.09413218    
 H   -1.77241874      0.629632354       2.75145721    
 H   -1.05735850     -0.704142272       2.29682684    
 O   -2.73829079     -0.835948706      -3.57598090    
 H   -3.05689979      -3.67108993E-02  -3.13342166    
 H   -2.74563909      -1.52320004      -2.89721322    
 O   -1.76393044      -4.91140413      -4.47969213E-02
 H   -2.03349996      -5.82482576      -1.19504398E-02
 H   -2.00474334      -4.51345778      0.811290383    
 O   0.321515024      -1.30206716      -1.58055794    
 H   0.285857558      -1.07640409      -2.51898909    
 H    1.10993099     -0.881938994      -1.19483089    
 O   -3.79076290      -1.32350385      0.801190436    
 H   -3.34904814      -1.68347859       1.89509597E-02
 H   -3.11064219     -0.853316844       1.31149638    
 O   -1.07219815      0.882769406     -0.394310623    
 H  -0.548497319      0.185546443     -0.805062652    
 H   -1.31416953      0.578736305      0.491713345    
 O   0.578875780       2.18888688      -3.35837436    
 H  -0.237910673       2.69713640      -3.24573231    
 H   0.330624193       1.33113146      -3.71822214    
 O    2.32511544       8.63306038E-03 -0.386752337    
 H    2.32649732       4.21156809E-02  0.577044725    
 H    2.48338103      0.903643727     -0.711293757    
 O    2.49335289       2.61012459      -1.54142058    
 H    3.23604465       3.05182219      -1.94247639    
 H    1.83647501       2.46070051      -2.24902821    
 O   -2.35106874      -3.49442101       2.20669508    
 H   -1.55416310      -3.02403331       2.48041034    
 H   -2.97580957      -2.82375526       1.90688658    
 O    2.15416503       3.91594395E-02   2.48320198    
 H    1.68036342      0.875922978       2.63643527    
 H    2.93965197       6.52607083E-02   3.02395916    
          69
 Energy    -249.63153401468389     
  O      1.57430582      1.40008214      4.56176898
  H      1.04522697      2.20426417      4.49615010
  H     -3.41471025      2.86695796     -0.08252710
  O      1.07535692     -0.82321398     -2.73670286
  H      1.02794209      0.74875598      5.01875865
  H     -3.44318514      0.13098048      5.39573318
  O     -0.12332365     -0.68761561      5.63012485
  H      0.27263050     -0.48291756     -2.32061306
  H     -2.46303894      0.51460791      4.24547535
  O     -0.95127676      0.13618232     -0.97739113
  H      1.26287884     -1.65585646     -2.28528896
  H     -0.06829708      2.61342555      1.10030459
  O      1.66520787     -2.99266140     -0.94308974
  H     -1.00881868     -0.28510227      5.58964356
  H     -0.45431059      3.27670461      2.46487351
  O      3.37200068     -1.17718149      0.11846073
  H     -0.04746234     -1.09958282      6.48668908
  H     -2.50272990      0.95057741     -1.24480007
  O     -4.65449433      3.59169837      3.00363075
  H     -0.96237055     -0.70795409     -0.50656393
  H     -3.62355663      1.37199017     -2.22284142
  O     -0.02630359      3.74922055      4.19563271
  H     -0.26888007      0.68210148     -0.56246557
  H     -2.85983558      0.36914432      1.93921188
  O      2.97420535      0.91555367     -1.83037075
  H      2.11194337     -3.81856313     -1.10814092
  H     -1.69468445      1.39287916      2.17461575
  O     -5.69705373      0.93365702      3.10202739
  H      2.31631038     -2.39874008     -0.52720492
  H      0.05654854     -2.67249375     -0.09002547
  O     -5.14936831     -0.33533745      5.44649111
  H      3.04415651     -0.79534003      0.94480459
  H     -0.54523722     -2.17517492      1.26318720
  O     -3.32310008      3.49371591      0.64316722
  H      3.42522571     -0.44707494     -0.50973901
  H      1.26983048     -0.58508207      2.39416527
  O     -2.55203421      0.46037632      5.20920803
  H     -5.23730518      4.34705683      3.00026207
  H      2.04112370      0.57567189      3.03845215
  O     -0.80773829      2.93039028      1.63569752
  H     -4.21785344      3.57524950      2.13367245
  H     -3.29635394      3.40384849      4.31083178
  O     -3.37297163      1.38094524     -1.30261668
  H      0.26152641      4.59649651      4.52488961
  H     -2.61898413      2.33036585      5.19203616
  O     -2.07982739      0.56088802      2.47571426
  H     -0.93879520      3.61869688      4.51276569
  H      1.79452171      1.56144368     -0.51802258
  O     -0.75032272     -2.35420815      0.33378880
  H      3.50594927      1.30633600     -2.51806688
  H      1.45823612      1.08564144      0.91938772
  O      2.00788457      0.02061729      2.24563096
  H      2.33904241      0.31997377     -2.26659510
  H     -0.92751589     -0.75034254      2.69934472
  O     -2.56921977      3.25869528      4.92861486
  H     -5.32915814      0.52723270      2.30633289
  H     -0.15282625     -1.42329757      3.84694478
  O      1.13005952      1.61790224      0.17840584
  H     -5.39745523      1.85091680      3.09499437
  H     -3.75495551     -3.56519139      0.56944325
  O     -0.27935094     -1.44852149      2.89165597
  H     -5.42225132      0.08795830      4.61302970
  H     -2.53922866     -2.67211862      0.27336342
  O     -3.50853212     -2.68360842      0.29975509
  H     -5.94713987     -0.46011791      5.95209853
  H     -4.12301208      0.39997048      0.10345538
  O     -4.28466926     -0.10836099      0.90731506
  H     -2.40211309      3.42436625      0.93506538
  H     -4.10987400     -1.03762404      0.69888022
          69
 Energy    -249.63136894785674     
  O     -5.56372219      0.31243628      0.02442271
  H     -5.54869767      0.18725825      0.98057215
  H     -0.53244617     -2.04658271      3.82894753
  O     -5.20736704      1.00062634     -4.37677667
  H     -5.09603829      1.14460013     -0.14683688
  H     -1.65290199      3.75063412      4.17424910
  O     -5.04611083     -0.00145215      2.80246501
  H     -4.69167020      0.24629280     -4.68634044
  H     -1.96762882      2.56806522      3.23236022
  O      0.40795614     -1.24559933      0.92829948
  H     -5.83814795      0.64629261     -3.73788883
  H     -2.78967724      4.38172873      1.88668544
  O     -1.53818756     -1.41890912     -1.09177011
  H     -4.15835816      0.38440290      2.88417432
  H     -2.53190121      5.09059810      0.54618902
  O     -3.50610338     -1.30355642     -4.87165852
  H     -5.54014999      0.27983000      3.56890179
  H     -3.20892358      2.01900350     -0.20082503
  O     -4.11146702     -2.10303487     -0.39361380
  H     -0.16448506     -1.48018639      0.18457100
  H     -3.90505687      3.36065832      0.12588570
  O     -1.68913594      0.20390653     -3.36922615
  H      0.74355392     -0.36275628      0.72333316
  H      0.95035281      1.52039007     -0.88363996
  O     -3.30344039      2.44643050     -3.03186472
  H     -2.42334628     -1.77038726     -0.92085875
  H      0.86601049      2.29872662      0.47952743
  O      0.35303217      3.80843461      1.26565010
  H     -1.56699382     -0.94535776     -1.93347198
  H     -0.80759618      6.43763449     -0.78575094
  O      0.67121989      1.53531119     -2.76901044
  H     -3.49172826     -1.85622128     -5.64834218
  H     -1.00904529      4.98817812     -1.28268885
  O     -1.04562297     -1.56528407      3.18577803
  H     -4.05338572     -1.76401736     -4.21000671
  H     -4.74569515     -2.49208741     -2.10031912
  O     -1.72300237      3.50658494      3.25426959
  H     -3.94837897     -2.41037364      0.50976811
  H     -5.84665436     -1.73850853     -2.85485096
  O     -3.23183805      4.71453024      1.09690883
  H     -4.58662508     -1.26561025     -0.31289312
  H     -1.91304199      0.06137374      3.16319480
  O     -4.01559432      2.53411462     -0.36347671
  H     -2.19639722     -0.35188360     -3.97451776
  H     -2.24557077      0.93198073      1.93419086
  O      0.90365756      1.41790001      0.07471601
  H     -2.23622529      0.98556400     -3.19904280
  H     -2.74658834     -2.27780598      2.59446261
  O     -1.02460991      5.55693336     -0.49211894
  H     -4.01754649      2.07787896     -3.57103391
  H     -4.19753517     -1.76037604      2.57942559
  O     -5.12552130     -2.36777094     -2.98064002
  H     -3.64615790      2.55442949     -2.13391357
  H     -0.91826335      1.31004994      0.20320523
  O     -2.40762539      0.84442814      2.88724536
  H     -0.03816253      4.46089918      0.67044883
  H     -1.83765585      0.13976963     -0.18072825
  O     -3.63618818     -2.48769709      2.28512929
  H     -0.26570594      3.72271800      1.99998256
  H     -6.49671351      0.00469167     -1.48727440
  O     -1.83920755      1.01895693      0.21881581
  H      1.34961745      1.37412983     -3.42092774
  H     -7.82614957     -0.10594378     -2.26401490
  O     -6.88072604     -0.19590318     -2.35636452
  H     -0.09472121      0.99769527     -3.02908941
  H     -1.80936889      3.50494354     -2.87443183
  O     -0.96388813      3.90360132     -2.62482141
  H     -0.48564060     -1.47658544      2.39288921
  H     -0.30976168      3.20035863     -2.69718997
          69
 Energy    -249.63130356528274     
  O     18.27271764     10.61855165    -14.49340052
  H     18.34189421     10.43302574    -13.54721073
  H     16.05771274     12.55347926    -11.15211181
  O     15.18308460      6.50340608    -11.48850225
  H     17.65016936     11.35151678    -14.56761743
  H     14.82854797      9.48425407    -11.45846861
  O     12.79248178     12.13260713    -11.23451909
  H     14.23773310      6.69837765    -11.44144585
  H     15.51845638      8.23025371    -12.00721124
  O     19.23272135      7.45864143    -11.31190399
  H     15.34921436      6.07432785    -12.33779474
  H     18.13300933      9.15338036    -15.41037450
  O     12.63277289      6.79227526    -15.40318839
  H     12.50664241     11.69474553    -12.05771094
  H     18.65001664      8.32842946    -16.61195830
  O     15.64519337      5.53842757    -14.04854153
  H     12.11060977     12.75665013    -11.00116958
  H     12.28998700      4.14726943    -10.91775206
  O     14.68364108     10.23124003    -14.52059828
  H     18.90194548      7.06860613    -12.14117135
  H     12.16844502      5.55730443    -11.50928660
  O     15.73705411      9.75147823     -8.67923469
  H     20.09078339      7.07512290    -11.15312218
  H     17.45468139      6.00102469    -13.74825182
  O     13.15700392      4.22176255    -14.25221639
  H     12.77141609      5.88656565    -15.10046050
  H     18.28991714      7.10323560    -14.41961612
  O     13.48026854      9.62341125    -10.16225467
  H     13.50056542      7.13115074    -15.65697638
  H     11.70009523      9.95396930    -13.52887692
  O     16.97541651      7.38608826     -9.50563247
  H     15.48706172      6.31955861    -14.59972552
  H     12.99440918     10.65901274    -13.95932447
  O     15.48266413     12.82573679    -11.87722296
  H     14.88529228      4.95671922    -14.16798850
  H     12.01166491      7.64912765    -12.10584834
  O     15.47161252      9.18898313    -12.11571986
  H     14.97856901      9.86798212    -13.66939661
  H     12.75111928      8.10191646    -10.81833873
  O     18.04860483      8.29989349    -15.87261387
  H     15.17975725     11.04727305    -14.65529398
  H     10.20041734      7.95857981    -13.81328997
  O     12.14000839      4.61438752    -11.73687131
  H     16.28991881     10.47916843     -8.98287482
  H     11.64143414      7.71059593    -14.31578676
  O     18.27057625      6.50882226    -13.65948766
  H     16.21559622      8.93347798     -8.88431376
  H     18.04218672     12.30026893     -9.52276227
  O     12.15990674     10.80043573    -13.49074761
  H     12.77689785      4.31954086    -13.36244428
  H     17.71819467     11.20338132    -10.56379593
  O     12.48291408      7.32340123    -11.32772224
  H     12.86546368      3.37718040    -14.58584809
  H     14.99655087      8.66382591    -15.33395876
  O     11.11428698      8.16620597    -13.63553887
  H     14.19919417      9.68301750     -9.51190848
  H     16.20888486      7.90399389    -15.89073594
  O     17.32125576     11.83207950     -9.93646541
  H     13.18895662     10.51657286    -10.37941592
  H     16.13476149     13.43298605    -14.89062509
  O     15.27496175      7.79883048    -15.67031117
  H     17.80287664      7.36894614     -9.99876623
  H     15.97638096     12.71008089    -13.53201973
  O     16.21790828     12.58286188    -14.46785120
  H     16.32993910      6.96080123    -10.08675398
  H     18.59463499      9.16058093    -11.56530173
  O     18.10292264      9.96579510    -11.77028936
  H     14.57663509     12.63409725    -11.60671074
  H     17.17592863      9.70352489    -11.88897125
          69
 Energy    -249.63105454258920     
  O     16.36413743      8.86163192    -15.75902262
  H     16.59012108      8.88251039    -14.82241450
  H     17.53783373      9.48164743    -16.90831976
  O     14.87310398     12.23637007    -16.30293109
  H     15.43447395      9.11509684    -15.81442692
  H     15.14182700     13.02983468    -11.76808593
  O     18.83138607     12.87150573    -11.41578491
  H     15.56008751     12.13381775    -15.62700448
  H     13.90368135     12.87598169    -10.85745505
  O     14.20707113     10.03099373    -12.97739405
  H     14.28785980     11.47926552    -16.18810770
  H     20.04873913     16.56672149    -13.75798754
  O     16.92019522     10.90371056    -10.69360775
  H     19.34920305     12.42103826    -12.09730833
  H     18.53512780     16.46324285    -13.50381133
  O     17.03610657      9.44698610    -12.98512805
  H     19.34876676     13.63731726    -11.13520239
  H     20.07786329     11.77855424    -14.29932903
  O     16.64733704     12.10532438    -18.46549610
  H     15.08589440      9.64444021    -12.88560271
  H     21.08800722     12.43633387    -13.31292001
  O     19.20124334     14.59844692    -16.39897477
  H     14.21771808     10.83918212    -12.44956179
  H     17.14929550     13.75551253    -18.56567603
  O     20.31968475     15.20211221    -11.00528586
  H     16.08573739     11.38690595    -10.71596303
  H     17.31742228     15.05000895    -19.39705715
  O     19.11328740     11.91338252    -15.82655654
  H     17.62174742     11.56370903    -10.77929696
  H     20.54575602     15.45574417    -15.64487118
  O     13.64363667      9.79776708    -15.61695110
  H     16.98782477      9.86841551    -12.11131802
  H     21.77375159     16.39264766    -15.71808272
  O     18.18473049      9.87547429    -17.52021485
  H     17.96432420      9.19390678    -13.09910884
  H     17.96094399     15.20699592    -15.10496267
  O     14.53684256     12.38063303    -11.37105026
  H     15.94873988     12.11079517    -17.79563107
  H     16.45866772     15.51049146    -15.13342249
  O     19.37382318     16.67601554    -13.07550736
  H     17.19126154     11.33432379    -18.27077979
  H     21.53311597     14.41231903    -12.30119756
  O     20.45313706     11.71174665    -13.41004249
  H     18.64063822     14.72745056    -17.17501908
  H     21.79532930     14.63263927    -13.79981763
  O     17.37560929     14.70240161    -18.51138872
  H     19.25077100     13.64365288    -16.24555309
  H     20.41672512      8.50409642    -12.81806413
  O     21.22081714     15.90816754    -15.11053395
  H     20.55605203     15.76180444    -10.27083234
  H     20.09300365      9.95338049    -13.21824269
  O     17.24064738     15.55476565    -14.56343937
  H     19.93601586     15.78039340    -11.68923485
  H     16.85925015     11.07429288    -13.89000546
  O     21.92674230     14.00206768    -13.08098842
  H     18.28678677     11.96974279    -15.31966280
  H     16.69168053     12.61398804    -13.70563831
  O     19.73315425      9.05211559    -13.19542704
  H     18.97858519     11.20408412    -16.46534394
  H     15.00323339     14.13594263    -16.40545228
  O     16.82625097     11.91721384    -14.35915740
  H     13.74370969      9.89375423    -14.65247488
  H     15.92951203     15.04618964    -17.22595254
  O     15.33380728     15.04189012    -16.46693330
  H     12.83695720      9.31143461    -15.76315152
  H     17.33481893     13.65041498    -12.05473546
  O     16.50566639     13.93449755    -12.46767023
  H     18.58841140      9.15159547    -17.99146030
  H     16.71995668     14.59466426    -13.14146906
          69
 Energy    -249.63097239978663     
  O     17.32593088      9.95615389    -10.16094413
  H     16.55576742      9.73236359    -10.70376088
  H     16.51479082      4.76134420    -12.01671386
  O     17.93726384     12.12083147     -8.60212365
  H     17.93869872      9.20813719    -10.18010835
  H     15.24527601      7.28938560     -8.26539547
  O     15.00897367      9.22806974    -11.46749051
  H     18.16866551     12.88132322     -9.12958692
  H     14.63178918      6.19333341     -7.38259802
  O     18.96645052      7.73207397    -10.00080374
  H     17.71165179     11.40770057     -9.22294437
  H     19.63448957      7.06123395    -13.10487555
  O     20.59653364      8.30184910     -7.81397122
  H     14.37575696      9.90143662    -11.18718024
  H     18.95274731      7.31325482    -11.74164263
  O     17.55272206      5.57046228     -9.01545443
  H     14.63280421      8.37906670    -11.19146351
  H     17.66594390     10.42111979     -3.71395131
  O     12.01979681      8.43026684     -9.29762421
  H     18.44064204      6.99703172     -9.64982394
  H     17.26127400      9.50080783     -4.88941245
  O     16.07009309     12.10736507     -6.40782122
  H     19.62367838      7.94857276     -9.32749545
  H     15.78378840      8.32592495    -12.94846932
  O     13.14080070     10.95093685    -10.28058372
  H     21.53249050      8.32600198     -7.63451793
  H     17.07179301      7.53205660    -13.28854613
  O     13.92002225     10.99706463     -7.68510302
  H     20.21628423      9.11594733     -7.43702864
  H     15.12375008      9.61936994     -7.91256502
  O     12.66156746      8.85360470     -6.60496740
  H     17.50688710      5.11823811     -9.87056232
  H     16.40409727      9.28921709     -8.72145082
  O     17.39174555      4.70296260    -11.61772014
  H     16.64342865      5.74251836     -8.73634081
  H     19.02185079     11.13615931     -7.41932624
  O     14.99589997      6.35071780     -8.26022825
  H     12.23222278      9.28275221     -9.69382849
  H     18.90721415     10.50559448     -6.01718616
  O     18.79442036      7.02131947    -12.65427623
  H     12.49642874      7.78046148     -9.82928196
  H     15.13419443      7.08061626     -5.42717534
  O     17.58757243     10.38813424     -4.66389638
  H     16.68771630     12.19974371     -7.14425004
  H     14.11677016      6.13308123     -4.75297713
  O     16.14257060      7.64086747    -13.52760563
  H     16.53535542     11.59303976     -5.73781036
  H     14.22495375      6.47968662     -9.88640909
  O     15.82043815      8.96089237     -8.02925384
  H     13.42262980     11.05720077     -9.35430883
  H     14.10963368      6.17551813    -11.41368232
  O     19.45643750     10.52697752     -6.81006221
  H     12.60251741     11.70916039    -10.49185092
  H     18.40437641      5.97179246     -7.38026286
  O     14.27407532      6.64435390     -5.54274808
  H     13.42207033     10.36001649     -7.14766760
  H     19.45768526      7.00314619     -6.93610376
  O     13.84963937      6.79435290    -10.72149753
  H     14.56795208     11.46156003     -7.13671653
  H     16.43142956      8.38726997     -6.45716564
  O     18.75261479      6.43422152     -6.60566856
  H     13.10130282      8.09122974     -6.21719419
  H     17.45129630      7.38335808     -5.85524489
  O     16.71868069      7.97580533     -5.62674754
  H     12.35421885      8.58560620     -7.48536739
  H     14.46303646      4.90071413    -13.61941305
  O     14.89631463      5.31416847    -12.87759141
  H     17.92621268      5.36114956    -12.07769552
  H     15.30819498      6.13267878    -13.21004619
          69
 Energy    -249.63040124574343     
  O     11.74055698     11.40614022    -14.42416622
  H     12.40216193     12.05146223    -14.15535108
  H     18.84121115      8.90790511    -13.24070032
  O     15.94035459      7.14403219    -14.11876940
  H     12.13549002     10.89295786    -15.14506336
  H     15.40385203      8.85214096    -14.23739206
  O     16.75210579     10.29778570    -10.86464774
  H     16.61473961      7.31851307    -13.44680326
  H     14.29214334      9.72258019    -14.89135604
  O     16.27968783     12.15417689    -14.49093005
  H     15.14466530      6.84761478    -13.65608673
  H     10.91819675     10.15875220    -13.51333837
  O     13.68072147      7.39409412     -9.08162663
  H     17.34707046     10.90567422    -11.32002123
  H      9.58629982      9.53110509    -13.03910090
  O     13.64762999      6.57130382    -12.66734298
  H     15.85573041     10.53165400    -11.14724641
  H     16.80314535      6.96685330     -9.48542448
  O     14.26495991     10.86368497    -11.89773496
  H     15.91541825     11.25386556    -14.45520224
  H     16.21637493      5.74678593    -10.21677417
  O     16.87435688     11.09478502    -17.08406777
  H     17.00794752     12.17742049    -13.85836251
  H     12.49113332      7.01142356    -14.14528064
  O     14.39777204      5.11614666    -10.36777012
  H     13.19289919      7.91595232     -9.73400406
  H     11.33992902      8.02985974    -14.20407896
  O     18.87082620      9.14346900    -16.48110153
  H     14.48218811      7.89089835     -8.87659500
  H     19.08418136     12.47874217    -12.37111987
  O     16.78859646      7.44487365    -16.74990154
  H     13.31239141      7.34823280    -12.19802285
  H     18.73956675     11.11098704    -13.01118704
  O     19.22774463      9.64805499    -13.72755441
  H     13.88328729      5.93116163    -11.98468103
  H     17.34451206      8.72484412    -11.73782486
  O     15.01856551      9.73627197    -14.25384662
  H     14.49295640     10.37617927    -12.70791660
  H     17.59919058      7.22541541    -11.46946989
  O     10.52825047      9.38624807    -13.06592896
  H     14.02908499     11.74857774    -12.19572764
  H     16.45776579      9.28271114     -9.39633702
  O     17.03318444      6.24213694    -10.08027268
  H     16.71695114     11.62267651    -16.29268136
  H     16.60274112      9.00596630     -7.88555126
  O     11.92853252      7.50117095    -14.75766685
  H     17.63649442     10.53487921    -16.88554055
  H     14.98865554      9.38793119    -18.98766709
  O     18.35800802     11.89413393    -12.57004034
  H     14.06410227      4.32758688     -9.94840794
  H     15.64281388     10.01397578    -17.73347232
  O     17.69764212      7.91958574    -12.13748877
  H     14.09004110      5.87215857     -9.83446757
  H     13.13463687      9.55563838    -11.37406403
  O     16.23031255      8.65554032     -8.69146031
  H     18.17150378      8.47244888    -16.58181615
  H     11.77269743      8.94413253    -11.76896335
  O     15.01751879      9.33109803    -18.03593263
  H     19.58956713      8.87729430    -17.04869318
  H     14.72798043     12.92085873    -13.92202972
  O     12.57392330      8.77621521    -11.25684079
  H     16.08797669      7.93508213    -17.19537118
  H     13.83056419     14.11294975    -13.52409967
  O     13.87893814     13.16036264    -13.51490121
  H     16.45437387      7.20970564    -15.87244131
  H     13.58345063      9.44653469    -16.87753229
  O     12.99918131      9.61595646    -16.12887231
  H     19.13462444      9.45170819    -14.66772472
  H     12.63401169      8.77613442    -15.80705130
          69
 Energy    -249.62972852383456     
  O     12.80623112      9.73081169    -11.36719974
  H     13.28634269      9.15971985    -11.97816625
  H     14.75726230     14.77545281     -9.27092213
  O     11.80706778      7.41629238    -14.24200716
  H     13.45569788     10.08140476    -10.74229094
  H     10.13233049     12.23765504     -9.74000409
  O     11.48371458     11.80500510    -12.55445515
  H     11.55143870      6.92471234    -15.01822208
  H     10.94333337     12.54300580    -11.02549160
  O     14.68926574     10.68145500     -9.59197707
  H     11.67693137      8.35785598    -14.45469162
  H     11.73438503      7.47170142     -6.64698721
  O     14.05092303      6.17752772    -10.83391779
  H     12.18805324     12.37307460    -12.89756626
  H     11.74621951      8.94598514     -7.11755079
  O     13.64474445     15.61838066    -12.21396945
  H     11.92988819     11.04717139    -12.14268230
  H     10.45378634     10.72170157     -7.47041987
  O     13.72570136     13.18270182    -13.43309005
  H     14.73958289      9.79508373     -9.20353052
  H     11.88634399     11.23491493     -7.24243375
  O     15.93356201     14.66226209    -10.77211669
  H     14.11863808     11.23344289     -9.03917074
  H     13.66306490      8.02892808     -8.19722612
  O     10.78015060      8.59239988     -9.88461745
  H     14.31254238      5.26404854    -10.75066684
  H     14.38587701      7.43536574     -9.42281893
  O     11.68953425     15.47539074    -10.12039973
  H     13.10118104      6.18083470    -11.04888076
  H     15.41008176     11.59993587    -10.94460289
  O     14.27838358      7.96805618    -12.99980673
  H     12.94197968     15.65120576    -11.55321385
  H     15.86201679     11.44277048    -12.42645117
  O     14.05174739     14.80056942     -8.61246167
  H     14.46147576     15.45006452    -11.72544612
  H     12.40227809     10.47529734    -15.19248664
  O     10.75359832     12.86366470    -10.13080396
  H     13.63645152     14.10448475    -13.15286138
  H     11.34927150     10.65664994    -14.09300970
  O     11.95824217      8.03312126     -7.38430491
  H     14.37057198     12.77440413    -12.83810832
  H      9.71906709      9.95883261     -9.39891212
  O     11.23553233     10.59483227     -6.92039514
  H     15.92905874     13.75327293    -11.11570654
  H      8.32905982     10.53341028     -9.04473973
  O     14.46601940      8.10016849     -8.72844595
  H     16.84483291     14.94471415    -10.76459699
  H     14.16094446     11.98525809    -16.40639840
  O     15.67773922     12.09388369    -11.73309321
  H     11.16575953      8.29795635     -9.04809316
  H     13.85220310     12.20500484    -14.90849078
  O     11.62918706     10.05571804    -14.79412214
  H     11.49729921      8.98972355    -10.40355109
  H     15.23057091     10.58806729    -14.49307918
  O      9.26123226     10.73589045     -9.03557093
  H     11.28443597     14.59315085    -10.11464315
  H     15.35613098      9.40325376    -13.51912165
  O     13.93101615     11.52675898    -15.60205309
  H     10.99694776     16.09435777     -9.90155055
  H     11.42925557      6.74253504    -12.48761624
  O     15.75747704     10.24868152    -13.76044207
  H     13.52238517      7.69095928    -13.53458113
  H     11.02085077      7.07941854    -11.03226169
  O     11.43733551      6.40462422    -11.58290909
  H     14.37580011      7.31764799    -12.29211161
  H     12.18302018     12.48568555     -8.97387263
  O     12.88492188     12.34525973     -8.32492853
  H     13.28417735     15.17683739     -9.06154180
  H     13.36320711     13.18491980     -8.26159601
          69
 Energy    -249.62942840599052     
  O     -4.99067725      3.55644142     -0.38785025
  H     -4.80731649      4.15256393      0.34850801
  H     -4.49175962      1.76657090      2.18442820
  O     -4.29253650      4.91522510      2.06514456
  H     -5.30758689      2.73464234      0.00648755
  H     -1.23865820      4.69836985      3.00966446
  O     -1.77106218      2.17659683      0.75308005
  H     -4.17384797      4.01371604      2.41182222
  H     -2.41064605      5.29623166      2.18982512
  O      1.53632801      1.96260291     -2.75607637
  H     -4.88082511      5.36587655      2.66666276
  H     -3.13632787     -0.75445423      0.17964971
  O     -0.14296436      3.97348914     -2.07301290
  H     -2.09840231      2.45272161     -0.11346833
  H     -3.62468437     -0.35660433     -1.23024501
  O     -0.24678877     -0.41281640      3.60182937
  H     -2.45402801      2.35858826      1.40883163
  H      0.73153558      6.41987656      0.34517762
  O     -0.23966635     -0.24790659     -2.60030307
  H      2.02234256      2.24073596     -3.52766982
  H     -0.35683310      5.53075703      0.98972335
  O     -5.61339643      1.05225473      0.93230433
  H      0.95422577      2.70469724     -2.51069757
  H     -0.09483556      2.68836351      1.01073506
  O      1.55858461     -2.22928920      2.36381544
  H     -1.06875203      3.69536964     -2.04300619
  H      0.86230006      3.88752224      0.85308019
  O     -2.70854345      2.90503733     -1.75605799
  H     -0.01575955      4.57978218     -1.33428167
  H     -3.16684173      0.02851104     -3.69101759
  O      1.40867372      1.80994302      3.52587485
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  H     -1.92750571      0.07083185     -2.76640292
  O     -3.85636928      2.29624630      2.68638874
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  O     -1.45521044      5.32570145      2.30491565
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  H     -1.19578746     -0.55924456      2.00218017
  O     -3.93154949     -0.60687616     -0.34994694
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  H      1.81526271      1.72538463      0.29570883
  O      0.31061173      5.56726689      0.27946301
  H     -6.47513057      0.64883415      0.98777017
  H      2.23155946      1.30748891     -1.11848395
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  H     -5.04124924      0.42740044      0.45063243
  H     -1.45402087      2.67247103      4.49196514
  O     -2.87348168      0.29716423     -2.82432385
  H      1.32783571     -2.02867550      1.44107822
  H      0.01557156      2.95438091      4.18418120
  O     -1.54694617     -0.51078015      1.10526601
  H      1.81684090     -3.14721822      2.38765619
  H      2.85588412     -0.73731839      2.42285786
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  H     -3.56081164      3.20119308     -1.40273501
  H      3.15631086      0.41511722      1.45013469
  O     -0.84744617      3.38203446      4.25947264
  H     -2.84168735      2.05337558     -2.19063940
  H      1.33956038     -0.49975698     -0.14466673
  O      3.28210583      0.12537519      2.36333234
  H      1.21205758      2.30536621      2.71532209
  H     -0.07313045     -1.04923354      0.22772310
  O      0.79442334     -1.30166582     -0.12505000
  H      2.19049117      1.28163740      3.31195105
  H     -2.62910869      0.61283314      5.53783472
  O     -2.42812494      0.91388646      4.65470647
  H     -3.46367185      1.74702356      3.37548676
  H     -1.69196249      0.36532788      4.33863923
          69
 Energy    -249.62915002460534     
  O     -6.90356524     -2.80613047      6.51003255
  H     -6.08799958     -2.31036264      6.64483530
  H     -3.12595807      1.81317061      2.18068691
  O     -9.64188310     -2.59135500      2.77306260
  H     -7.63219552     -2.17325522      6.58481940
  H     -6.61430312     -1.09533565      3.69437802
  O     -7.60483840     -4.07331838      4.22636086
  H     -9.98661244     -1.84922708      3.28393820
  H     -7.73255544     -0.68103624      4.71055956
  O     -5.44011063      0.45625539      0.50078884
  H     -9.02601903     -3.07036892      3.33892419
  H     -4.12209689     -1.23354522      5.87875726
  O     -5.91680196      1.04634416      6.13333607
  H     -7.34239015     -3.69255676      5.08359017
  H     -3.75662958     -1.51505067      7.35620780
  O     -6.40582448      4.98181113      0.86793883
  H     -7.74633709     -5.00514028      4.37115310
  H     -3.00006151      4.05645454      1.87612468
  O     -8.91416671     -0.89822338      6.23326404
  H     -6.29577247      0.67903012      0.89896692
  H     -1.60978300      3.77296534      1.25735734
  O     -3.66580963     -1.16212678      4.22095256
  H     -5.50269337     -0.46695986      0.23326300
  H     -9.23867396      2.17798164      5.38885452
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  H     -9.04568137      2.71193282      3.95158338
  O    -10.71228366     -0.31473485      4.20025568
  H     -6.27140891      0.63523146      5.32728296
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  O     -3.70104625      1.13578996      2.55791039
  H     -6.69142216      5.60982787      0.20991779
  H     -9.02281911     -1.93164185      1.21136590
  O     -7.09714645     -0.34542959      4.06713070
  H     -8.80633356     -0.03620561      6.65518284
  H     -8.50718042     -0.54375346      0.78540648
  O     -4.47365653     -1.24570782      6.78886915
  H     -9.67213460     -0.81459886      5.63913806
  H     -7.44645248      1.59634955      6.82950831
  O     -2.47755063      3.39918363      1.38219786
  H     -3.55915587     -0.35883502      3.69617489
  H     -8.36696557      2.27338736      7.87412679
  O     -9.62585933      2.17494302      4.50541997
  H     -4.26901114     -1.72894558      3.72045430
  H     -4.53164341      4.40164296      3.37865988
  O     -5.72737922     -2.49568287      2.89054559
  H     -5.04005518      2.15843487     -0.17084436
  H     -4.94087083      5.20312859      2.13225403
  O     -8.59801257     -1.45608479      0.48194389
  H     -3.94165700      3.19208438      0.13345188
  H     -4.72792336      2.23459150      3.59346221
  O     -8.37443900      1.75939035      7.07102172
  H    -11.65326110     -0.22205364      4.07344873
  H     -5.37325177      2.39114990      4.98553828
  O     -4.19771474      5.03073475      2.72339634
  H    -10.34413125      0.58660302      4.20047894
  H     -7.89188561      1.88406171      1.99017623
  O     -5.23183225      2.84787457      4.14836933
  H     -5.98701314     -2.86519411     -0.63784800
  H     -7.66775441      0.47928272      2.57345337
  O     -7.84314006      0.95272325      1.74588146
  H     -7.01916075     -2.03202392      0.16560514
  H     -7.38618387      4.08626639      2.19812279
  O     -7.66179869      3.47968088      2.89644471
  H     -4.27903219      0.83499559      1.84134458
  H     -6.85380282      3.25258090      3.37993319
          69
 Energy    -249.62874916067022     
  O     14.38865351     11.95322611    -16.46797670
  H     14.07909704     11.31383870    -17.11784716
  H     17.21533374      4.50130122    -15.17956634
  O     15.77916784      6.28926147    -13.18256679
  H     13.97698251     11.71216218    -15.62460192
  H     17.04204302      9.16757280    -18.17805930
  O     19.28216467      8.70443205    -13.39407156
  H     16.66150133      6.27227395    -12.78696340
  H     16.92805180     10.68609429    -17.87938216
  O     17.44528673      7.53895662    -17.34403910
  H     15.22664764      6.87798092    -12.65159823
  H     15.98175301      7.58154763    -14.44162441
  O     15.21277100      5.70926483    -17.56873076
  H     19.56444328      8.24055153    -14.19671096
  H     15.17024318      8.26992388    -15.57212158
  O     16.94513080     10.76901382     -9.88695447
  H     18.68335845      9.40675027    -13.68283148
  H     12.93035100     10.21657459    -14.05966998
  O     14.24760598      8.22803280    -11.94882679
  H     17.05814095      7.83193408    -16.50386962
  H     14.01683293     11.07680536    -13.38592479
  O     17.36238953     10.49419185    -14.31182401
  H     16.83976176      6.85807151    -17.65646170
  H     17.33114388      7.24816236     -9.57537537
  O     18.99915076      4.61825043    -14.44554922
  H     15.57923249      5.26272355    -16.78303679
  H     18.37742921      6.42672186     -8.78355841
  O     15.83837398      8.14441732     -9.59176822
  H     14.99942913      5.02450048    -18.19684836
  H     12.77200238      8.10034636    -14.96939419
  O     19.69140909      7.14780666    -15.64176553
  H     17.78081006     10.35642478    -10.17083862
  H     11.46526112      8.10854457    -14.14924314
  O     16.27188743      4.61420298    -15.34362861
  H     17.17259105     11.45787551     -9.26864517
  H     18.71022930      7.14916898    -12.68089338
  O     16.62485813      9.98767081    -18.47232172
  H     13.52135762      8.20390266    -12.58338897
  H     18.40927649      6.36512547    -11.36689119
  O     16.01229383      8.28637572    -15.10156382
  H     14.69443341      9.07786941    -12.08379967
  H     19.34851260      9.22478375    -11.57705056
  O     13.33616283     11.08976072    -14.07181718
  H     16.85370050      9.72498211    -14.61860244
  H     19.01260895      8.52417658    -10.24229124
  O     18.22117206      6.85386061     -9.62106787
  H     17.38144122     11.11912183    -15.04618033
  H     14.89724345      9.89606327    -18.50311936
  O     12.39136539      8.33629475    -14.10810145
  H     18.83640672      5.12407837    -13.63128362
  H     13.56019885     10.06630610    -19.26556064
  O     18.42239588      6.29272585    -12.32925911
  H     19.60693586      3.91962766    -14.21537232
  H     15.93849643     10.85513784    -11.44072654
  O     19.15896954      9.38909212    -10.64396426
  H     15.17042476      8.07177380    -10.28459882
  H     16.18108375     10.71250378    -12.96544358
  O     13.92710792      9.86059706    -18.41003965
  H     16.10626747      9.07248638     -9.57674458
  H     16.09855130     12.12630965    -16.51844409
  O     15.49458624     10.70014718    -12.28290966
  H     19.55689558      6.23624331    -15.35669420
  H     17.35840760     12.98242090    -16.80429481
  O     17.07231993     12.10101875    -16.58094240
  H     19.05945866      7.28760338    -16.35821329
  H     14.09555420      7.06503031    -16.91292670
  O     13.65599799      7.83660073    -16.53047325
  H     15.93848460      5.08701424    -14.56790835
  H     13.65774637      8.53285663    -17.20288930
          69
 Energy    -249.62846242685251     
  O     13.60131237     11.54920627    -17.54595441
  H     14.43160818     11.26371546    -17.94690459
  H     14.59174849      6.01332626    -15.16192047
  O     17.35156834      6.14570004    -13.02066277
  H     13.82894675     11.87690401    -16.66620738
  H     16.62642476     10.61757736    -16.77313725
  O     18.44956725     10.22360327    -11.13864734
  H     17.30385599      6.86474657    -13.66773440
  H     15.92454999     11.17505340    -15.51035981
  O     18.02822436     11.56955519    -13.46033918
  H     17.46012149      6.56896269    -12.16148001
  H     14.63214233      8.05462906    -12.31106912
  O     15.12323824      4.81747342    -13.79417797
  H     19.21683759     10.63500554    -10.74820394
  H     15.62711509      8.66347131    -13.34734816
  O     13.47990002      9.73737506     -9.63173497
  H     18.34689456     10.62428163    -12.02052380
  H     12.47291183     10.21886679    -17.69550000
  O     13.83661492      6.45348208    -11.88459688
  H     17.37300770     12.23879858    -13.22756720
  H     11.23436361      9.59650808    -18.38351398
  O     12.85068247     10.31090185    -13.51610098
  H     17.77115190     11.25640510    -14.33678714
  H     18.35862309      7.24806764     -9.94214614
  O     14.46029611      8.07183265    -18.23940057
  H     15.24626131      3.87312737    -13.83515547
  H     17.96799057      8.47807469    -10.78518797
  O     14.96277740      7.38845167     -9.52631157
  H     15.96944175      5.20246135    -13.50019915
  H     11.21501881      8.05637663    -12.18900230
  O     16.64596097      8.18400169    -14.76514948
  H     13.93092031      8.89423619     -9.47436572
  H     11.44785960      7.48663247    -13.60882207
  O     14.46860018      6.77175245    -15.74508075
  H     14.17701033     10.34222276     -9.90822182
  H     15.66005202     13.95495256    -12.15061177
  O     16.73027090     10.73740149    -15.82086959
  H     12.91400033      6.62309652    -12.12684468
  H     15.64116782     12.41554441    -12.00010990
  O     15.00123273      8.88289007    -12.64616549
  H     14.18761425      5.79563990    -12.49470307
  H     16.62326378     10.78784212    -10.78540434
  O     11.95509373      9.39932847    -17.79145353
  H     12.22269934     10.27720663    -12.78409112
  H     15.41163018     10.20854712    -11.52989154
  O     17.69910908      7.57720995    -10.55044298
  H     13.62583971      9.80245973    -13.22678733
  H     15.52041690      9.44184725    -18.42879919
  O     11.33871397      7.23567411    -12.68245641
  H     14.54275128      7.49292041    -17.47026995
  H     16.44647352     10.29369848    -19.33011200
  O     15.76065885     13.14077975    -12.63714090
  H     13.55934892      8.41719620    -18.20799883
  H     12.05770877      9.72495963    -10.63081449
  O     15.69218082     10.95219839    -10.97094552
  H     14.51781198      6.90873514    -10.24024547
  H     10.56128725     10.08576944    -10.77137556
  O     16.01125012     10.28198945    -18.48222641
  H     15.87917829      7.47177212     -9.81134251
  H     13.79065789     11.50244694    -14.45143363
  O     11.31068116      9.75109194    -11.25612890
  H     15.91985404      7.72670542    -15.21461915
  H     14.85119499     12.59427010    -14.19969805
  O     14.43573467     12.07265365    -14.89645431
  H     16.75392646      9.04642221    -15.18501278
  H     11.95079501      8.58242232    -16.11491155
  O     12.14527846      8.24276320    -15.23264511
  H     13.64259866      7.20980840    -15.49315093
  H     12.36208522      9.01335565    -14.68804217
          69
 Energy    -249.62819229917636     
  O      9.89467600      8.42623147    -12.70755129
  H     10.68958151      8.87652611    -13.02877267
  H     18.28383853      7.45284064    -15.58577953
  O     14.58521033      6.16568332    -14.14333017
  H      9.83113951      7.61211216    -13.22110942
  H     14.55240983     10.81544789    -15.41896438
  O     16.39610353     11.08340538    -12.80911334
  H     13.74220492      6.44127980    -14.52963960
  H     14.92279376     11.23108705    -13.97207593
  O     15.23493648     10.13112695    -17.11138519
  H     15.06964291      6.97469233    -13.91362653
  H     16.81211259      7.88736291    -13.01629234
  O     12.29561404      7.17893104    -15.27995179
  H     16.63452074     11.03542378    -11.87426482
  H     16.05522254      9.24903699    -13.12837165
  O     15.83671425      8.41280628     -9.82092589
  H     17.22728683     11.19137748    -13.28979861
  H     10.09321429      7.92801941     -9.53489807
  O     14.15220820      5.43794021    -11.54550173
  H     15.01325772     10.60228373    -17.91003941
  H     10.31136720      7.98644513    -11.06695840
  O     14.27107808      7.61027063    -17.24943541
  H     14.85539208      9.23785020    -17.20018446
  H     18.74667536      9.73850685    -11.25999739
  O     16.76064589      5.77110870    -10.49105172
  H     12.34072004      7.96564981    -14.71345390
  H     19.30923071      9.87110366    -12.68513459
  O     17.46070666      9.20218766    -15.72770187
  H     11.53310822      6.66849488    -14.98164723
  H     11.08358912      5.93392825    -11.00836988
  O     15.98711133      5.40884389    -16.36041462
  H     16.17103984      7.51654853     -9.93726871
  H     12.29764575      5.13140805    -11.51997941
  O     18.37728809      6.55038829    -15.25589289
  H     14.94506374      8.41856479    -10.19481401
  H     18.46478313     10.35591344    -14.83956898
  O     14.17930468     11.07680023    -14.56932276
  H     14.31757720      5.55871136    -12.49325134
  H     19.44160209     11.54839449    -14.70069717
  O     16.07910373      8.34197316    -13.45467619
  H     15.01607632      5.42325865    -11.11684970
  H     18.74979171      7.64425221    -12.27168105
  O     10.68604535      7.65679867    -10.22980813
  H     14.88257608      6.88159152    -17.09618026
  H     18.40265845      6.63787640    -13.43275561
  O     19.30559100      9.29533584    -11.91090261
  H     13.50269535      7.44880347    -16.68464955
  H     17.45520904     11.07140197     -9.42062580
  O     11.33874328      5.21642482    -11.60175630
  H     17.29795991      5.20631375     -9.94128371
  H     16.81380804      9.79697435    -10.02203675
  O     18.87149740     10.96858291    -14.20288656
  H     17.33251422      6.08114937    -11.21496177
  H     12.47308877      8.03605853    -10.63577154
  O     18.24420357      6.84882055    -12.50118683
  H     16.95132451      8.83262006    -14.98991753
  H     13.60935445      7.18590710    -11.24842379
  O     17.36708669     10.57303958    -10.22807561
  H     16.80563922      9.56812784    -16.33508507
  H     12.87448093      8.93058133    -12.67007252
  O     13.34368138      8.09514019    -11.04990543
  H     15.50171864      5.55673518    -15.53033662
  H     13.00960215      9.95585893    -13.84671657
  O     12.45680693      9.25105159    -13.47996321
  H     15.82362825      4.50396944    -16.61600405
  H     10.60450444      5.55016769    -13.15848700
  O     10.19144437      5.84835310    -13.98874540
  H     17.66565826      6.05925198    -15.68466846
  H      9.51978909      5.20786208    -14.20657312
          69
 Energy    -249.62763907657364     
  O     14.03116097      8.79718329    -17.73603574
  H     14.30851108      7.90455792    -17.48875752
  H     14.76691744      4.58977116    -13.94683725
  O     16.48214672      6.76489788    -12.64568636
  H     14.83846349      9.30758030    -17.86906088
  H     20.12743929      6.73139159    -14.41952143
  O     18.53953929     10.39437724    -12.26175580
  H     16.24152958      5.85864667    -12.88027245
  H     21.50848971      6.73063519    -13.72509922
  O     18.39910106      8.75803494    -16.69578650
  H     16.46843756      7.28029668    -13.46653639
  H     16.46257897     11.35757301    -18.10261432
  O     13.13472708      5.34909203    -14.60914531
  H     18.74050585     10.87961345    -11.45199420
  H     16.00852410     10.77222929    -16.74630003
  O     15.99024379     11.73089076     -9.79284003
  H     18.62624931      9.45398992    -12.04490209
  H     15.88300966      9.10806983    -14.92748270
  O     14.67349187      8.53077676    -11.56158553
  H     18.95753386      9.24004475    -16.06237034
  H     17.10623899      8.34196112    -15.48714262
  O     15.81809462     10.88919203    -12.50783995
  H     17.82993521      9.39320037    -17.14407898
  H     11.82911073     10.19682161    -15.87409864
  O     16.92083325      4.55024130    -16.29997022
  H     12.29768635      4.89353126    -14.59435497
  H     13.05718558      9.42253837    -16.41388766
  O     15.42488567      9.05521165     -8.90596173
  H     12.99232648      6.21161427    -14.17757129
  H     18.44676670      8.29618687     -9.90057328
  O     19.18298393      6.23131757    -15.79104908
  H     15.67526799     10.91111933     -9.39126197
  H     18.45944175      9.67742307     -9.21246023
  O     15.67029728      4.36153366    -13.69149149
  H     15.81261208     11.63882343    -10.73825997
  H     13.36448311      8.11985567    -12.82229183
  O     20.64399877      7.13189795    -13.69699634
  H     14.81221654      8.65339876    -10.61436807
  H     12.74046058      8.52971882    -14.18853264
  O     16.36885332     10.53981071    -17.61972195
  H     15.29149314      7.84284863    -11.85298590
  H     20.29411673      8.94053036    -14.32608576
  O     16.30618869      8.24255800    -14.95294605
  H     15.38292417     10.07892536    -12.20447478
  H     19.44916499     10.14692376    -13.88844676
  O     12.65711002      9.80317461    -15.61132339
  H     16.77319836     10.72767824    -12.48292090
  H     18.02088757      7.27904515    -11.92444617
  O     18.11604798      8.77933644     -9.13100380
  H     16.92162950      3.90864804    -17.00659533
  H     19.53224663      7.43791128    -12.24011629
  O     12.82068692      7.80614291    -13.55658237
  H     16.21467317      5.18596755    -16.50175658
  H     19.12975635     12.26604242     -9.23651697
  O     19.89577651      9.75757430    -14.65135459
  H     16.38372277      8.88669090     -8.94940712
  H     17.74944366     11.71295641     -9.66717408
  O     18.84040124      7.69675948    -11.61899997
  H     15.12469889      8.71993545     -8.06553708
  H     14.26660652     10.63190895    -15.22821812
  O     18.70822620     11.54267008     -9.69172551
  H     18.95707634      7.03206774    -16.28477023
  H     15.39220593     11.04081919    -14.22126013
  O     15.20208127     10.86232701    -15.15371528
  H     18.46252773      5.60784115    -15.93288273
  H     14.21343106      6.01935439    -15.94617109
  O     14.89975965      6.42384669    -16.49408003
  H     16.16423627      4.27582574    -14.51582146
  H     15.36051567      7.06480091    -15.92948496
          69
 Energy    -249.62622346250367     
  O     16.30484063      8.89312753    -13.60860963
  H     15.66502422      8.18736372    -13.65427820
  H     15.66344567     11.59696945    -15.45648537
  O     17.49964493     15.54119934    -16.14851175
  H     16.10172087      9.50058159    -14.34171147
  H     19.06218258     10.32172688    -10.00563548
  O     20.62655842      9.47733015    -15.38298845
  H     17.23908696     16.14644762    -16.83790203
  H     18.81233019     11.81401136     -9.69301195
  O     19.77412276     13.45339297    -10.07311136
  H     18.14655228     14.92759341    -16.54218780
  H     22.11217002     16.44283509    -12.78230969
  O     15.37417222     13.62771734    -12.11673527
  H     20.88897925     10.26172643    -14.86797741
  H     20.59048677     16.68444746    -12.84002096
  O     20.39445598      9.19829057    -10.78514326
  H     21.42353138      9.11078406    -15.75687508
  H     21.31489861     10.79247940    -10.99871291
  O     16.59595553     11.08100599    -11.85559587
  H     19.11076269     13.82934511    -10.66965461
  H     20.95425493     12.29212338    -10.80441377
  O     18.55695608     11.13997449    -16.34535372
  H     20.36426825     14.18153687     -9.84208628
  H     19.12250532     12.85135541    -16.94555765
  O     21.19606211     14.26444695    -14.86874659
  H     15.62307618     12.71380517    -11.91724149
  H     20.12942350     13.89938022    -16.41192510
  O     21.58360802     15.59920926     -9.84135158
  H     15.32657368     13.67100207    -13.08022035
  H     23.49647429     14.75349399    -12.79049481
  O     21.04118966     11.70757613    -13.88381036
  H     20.65214747      8.37206017    -10.38497013
  H     24.34572317     15.55296757    -13.80923111
  O     15.87463998     10.67217698    -15.63661671
  H     19.92861743      8.97770198    -11.61152267
  H     18.57778423     15.97858564    -14.63976463
  O     18.37215791     10.96002183     -9.78756751
  H     16.40286460     10.22701309    -12.25745678
  H     18.72588232     15.54125158    -13.16032606
  O     21.36799148     16.79345208    -12.27781018
  H     17.13865555     10.95220948    -11.06244444
  H     22.88076784     14.45810831    -10.67602564
  O     21.60095958     11.69124887    -11.20502797
  H     19.23943355     10.46995643    -16.21751625
  H     22.92756425     13.02969124    -11.24537839
  O     19.37621332     13.78108124    -17.00489783
  H     18.38335569     11.50084621    -15.46354177
  H     19.57488478      8.81460195    -13.93854946
  O     23.45174555     15.30085428    -13.59537680
  H     20.50555653     14.84372837    -14.51540033
  H     18.16329405      8.67970669    -13.31281975
  O     19.19018956     15.96987256    -13.89460560
  H     22.03911407     14.62247802    -14.56266463
  H     17.79345017     11.69315401    -13.04364292
  O     23.37019823     13.88717148    -11.28215882
  H     21.72949209     16.25383905     -9.16363234
  H     19.24038721     11.93683524    -13.63961178
  O     19.10610606      8.66078816    -13.10988569
  H     21.44705851     16.08379714    -10.67527437
  H     16.81595187     13.04612863    -14.47522581
  O     18.31013263     12.18937052    -13.69737242
  H     21.15896840     12.59670610    -14.24778410
  H     16.36561717     14.20224179    -15.37377581
  O     16.03631339     13.42802823    -14.90210911
  H     21.32931588     11.71042106    -12.96089965
  H     17.04557681     14.31541563    -11.87174800
  O     18.00452162     14.38371174    -11.98645564
  H     16.69849954     10.69798329    -16.14082986
  H     18.23312643     13.66297508    -12.59031422
          69
 Energy    -249.62605738531536     
  O     13.75074521     11.61591058     -8.45352775
  H     13.75953863     11.57496165     -7.50118092
  H     11.84667104     14.00766291    -13.34512613
  O     11.17646270     11.20940439    -15.16111089
  H     14.41084998     12.28385737     -8.71362143
  H     13.54752247     14.76436623    -11.45359487
  O     14.32657084      9.45916004    -10.27428810
  H     11.19968305     12.09675049    -14.77136305
  H     12.53175838     13.56826056    -11.24933551
  O     18.81647175     13.25530245    -12.85185082
  H     11.47732242     11.29274236    -16.07468138
  H     12.24302081     14.16405243    -15.51079998
  O     11.78393902     12.14291123    -10.39129964
  H     13.45790999      9.34694507    -10.68041752
  H     12.66898067     13.43094155    -16.79603972
  O     11.88998210      9.64230812    -11.69809649
  H     14.20938576     10.14164501     -9.60281705
  H     15.45791884     12.23918613    -12.31246675
  O     13.44599799     10.16237129    -13.89426379
  H     18.52594234     12.74950580    -13.63377130
  H     14.09646628     12.98873395    -12.51309510
  O     15.09919564     15.67961366    -10.95369580
  H     19.75745494     13.38092881    -12.93401599
  H     17.05901480     12.58780100    -15.21153108
  O      9.56118785      9.95515591    -13.29764701
  H     11.81651600     11.30118417    -10.86792707
  H     17.23832878     11.11595125    -14.79486325
  O     15.42305068     13.56614427    -15.26162740
  H     12.34566767     12.01941045     -9.61588333
  H     12.31362240     11.51759320    -18.55081095
  O     14.97751056     11.16035844    -16.82661038
  H     11.00949529      9.57621124    -12.08437359
  H     13.33529432     11.38843439    -17.39632167
  O     11.17509672     13.73207663    -13.98517115
  H     12.49215717      9.73558376    -12.45311332
  H     15.78233754      9.24110556    -11.21783694
  O     12.92497036     14.17485558    -11.89480445
  H     13.88792753     10.94514271    -13.52456128
  H     17.09351267      8.43848996    -11.36547607
  O     12.91462550     14.15210597    -16.20519232
  H     12.71154372     10.48034519    -14.43353508
  H     16.39593647      9.38723558    -13.64662387
  O     14.70588879     12.35007227    -12.90612127
  H     15.17075718     16.60745044    -10.74520143
  H     15.12147860      9.70882849    -14.41086968
  O     17.71791680     11.94594362    -14.91666191
  H     15.66486578     15.52384975    -11.73068380
  H     17.68314439     12.34354472    -11.73077458
  O     12.42196868     11.64821576    -17.61272461
  H      8.86310082      9.43377168    -13.68572321
  H     16.98425221     10.98052149    -11.39455789
  O     16.61916453      9.18867305    -11.71519142
  H     10.07385808     10.32863071    -14.03468035
  H     10.11255491     12.52447686    -11.38576677
  O     16.08246959      9.64494751    -14.52199695
  H     15.18418279     13.10567843    -14.44036207
  H      9.34176251     11.68686967    -12.42047704
  O     16.94708871     11.93557132    -11.25673132
  H     14.59948657     13.91654597    -15.63255156
  H     17.45489248     14.61561631    -13.00518881
  O      9.47879471     12.59032812    -12.11097551
  H     15.42192212     10.49575172    -16.29150225
  H     16.24999077     14.81387419    -13.94238982
  O     16.65707400     15.14317408    -13.13307504
  H     15.17613023     12.00331419    -16.39952105
  H     15.43843219     14.22590906     -9.77408418
  O     15.57946902     13.38096281     -9.33278194
  H     10.42238832     13.46346421    -13.43835508
  H     16.14387919     12.86353451     -9.92547764
          69
 Energy    -249.62594506855692     
  O     15.57433737     10.46848887    -16.75898097
  H     14.78763271     10.80893495    -16.31749726
  H     20.52526564     10.35762221    -17.88757438
  O     16.00075312      5.72313616    -12.56106413
  H     15.96670901      9.82023050    -16.14959249
  H     17.65970064      8.65380911    -14.95649082
  O     18.86398755     13.15262518    -11.28850118
  H     16.66840214      6.25903819    -12.11767700
  H     16.32909508      8.82046961    -14.12452531
  O     19.51517934      8.24700097    -15.24660003
  H     16.23791681      5.68108802    -13.49828152
  H     13.21355996     10.15348537    -15.04841993
  O     14.23540997      6.85612486    -16.89767666
  H     19.31003985     12.36523477    -10.92769479
  H     12.52118716     11.50836416    -15.32677849
  O     17.41152312      9.75428735     -9.23319519
  H     19.38873556     13.90796376    -11.03903227
  H     17.56868049      8.31979764    -10.45255046
  O     15.47749912      9.00071677    -12.49763549
  H     19.42031456      7.35739637    -15.60837456
  H     18.26852893      8.28919204    -11.82668003
  O     17.94499025     11.84627198    -13.61538773
  H     19.71220108      8.82999571    -15.99242024
  H     13.38407140      7.90002626    -15.68076882
  O     13.58137529      6.95577325    -12.56467159
  H     14.91896841      6.34894937    -16.44188510
  H     13.09545821      7.89752960    -14.16734090
  O     18.94032649      5.86000550    -16.66313044
  H     14.68667702      7.34520743    -17.59499713
  H     19.13661873     10.39313613     -9.86113817
  O     16.44929250      5.95806265    -15.33830018
  H     17.13641042      9.74306309     -8.32013588
  H     19.83578538     10.25981243    -11.22270994
  O     19.78173288      9.91708013    -17.48567599
  H     16.96910589     10.51670765     -9.64688761
  H     18.77530753     10.26533347    -13.12025875
  O     16.69757065      8.70135804    -15.00985041
  H     14.73549711      8.38376104    -12.48346672
  H     19.54056410      9.00713604    -13.61382410
  O     13.36881640     11.11241203    -15.14403007
  H     16.19450156      8.59740745    -11.99059903
  H     15.83989424     11.97357528    -11.24366303
  O     17.63281482      7.81204039    -11.27281896
  H     18.30353547     12.41966962    -12.92649613
  H     17.15417333     12.52004348    -10.66236679
  O     13.03332222      8.44226492    -14.95889773
  H     16.98783738     11.81010406    -13.47492105
  H     18.76903014      8.51534594    -18.28334387
  O     19.83849528     10.77420789    -10.40304084
  H     14.38938211      6.41129901    -12.55743950
  H     17.36128104      7.98646448    -18.65270513
  O     19.25049984      9.47692678    -12.82086164
  H     12.96329792      6.53624098    -11.97264641
  H     14.55930677     11.64831716    -13.72800601
  O     16.38057590     11.98507059    -10.44433775
  H     19.46630181      5.16235130    -17.04378351
  H     15.28139313     10.69024789    -12.76990865
  O     18.27616322      7.71569636    -18.50671498
  H     18.68985678      6.45783655    -17.39209941
  H     18.10990227     11.83496247    -15.46466193
  O     15.22224759     11.62524052    -13.02985286
  H     17.27594390      5.73879076    -15.78419394
  H     17.18172590     11.42716579    -16.62874392
  O     18.08449392     11.70187597    -16.42154807
  H     16.44139585      6.92514550    -15.26479839
  H     15.15076323      8.89924568    -19.55875276
  O     15.59717079      8.60680797    -18.76774022
  H     19.19358143     10.61349122    -17.14059295
  H     15.54694634      9.33871845    -18.12980205
          69
 Energy    -249.62533618577743     
  O     17.21391368     10.10702817    -14.11343070
  H     17.75384455      9.35816887    -14.39409522
  H     15.10602714      4.24713841    -14.56156178
  O     15.14574610      4.48060101    -16.40249953
  H     17.26477996     10.15501226    -13.14569077
  H     13.48376104      9.27555128    -10.69478858
  O     12.41862916      7.69788956    -13.04179051
  H     15.37694352      3.85636368    -17.08518636
  H     12.85656935      8.02680127    -11.30972437
  O     12.92583190      5.93574472     -9.08766607
  H     15.66624889      5.28652027    -16.57029800
  H     15.65540636      9.15868334    -13.99074984
  O     12.50830213      5.57435317    -16.05636568
  H     11.83943567      8.33470455    -13.48603021
  H     15.46305843      7.69052622    -13.57872344
  O     15.22244937     11.34787086    -15.67170398
  H     13.30407801      7.88333886    -13.38172598
  H     17.83408221      7.11474401    -14.07842164
  O     16.50678481      6.77984908    -16.79783860
  H     12.95912941      6.83553875     -9.43757155
  H     19.26235642      7.27375260    -14.65198646
  O     15.68122674      5.09587742     -8.98375334
  H     13.83808199      5.69375217     -8.88642667
  H     11.42514029      9.18852135    -15.45547140
  O     14.54721554      8.77973799    -16.62374508
  H     13.36875335      5.18799588    -16.25748062
  H     11.80233682     10.38805587    -14.53860215
  O     12.00221263      3.94750998    -10.69242358
  H     12.28541166      5.27646190    -15.16550284
  H     13.79088843     11.74808542    -14.74790361
  O     14.81337172      3.41613454    -10.93332591
  H     16.03197840     11.12567870    -15.19314465
  H     12.70707106     12.77337651    -14.34417252
  O     14.96885259      4.32662627    -13.60929081
  H     15.01864131     10.57540857    -16.21566591
  H     12.06428318      4.57996649    -12.44630788
  O     13.29814234      8.34736008    -10.50883748
  H     15.88487919      7.51397288    -16.89406374
  H     12.24681744      5.94560855    -13.16478661
  O     14.97719616      8.48123828    -13.84931333
  H     17.20667942      7.08593528    -16.21050889
  H     12.04788224      7.15287218    -16.63205170
  O     18.36421088      7.58117860    -14.74788671
  H     16.15550080      4.61810158     -8.30890651
  H     11.28239063      7.96954365    -17.69879615
  O     11.25977595      9.59182499    -14.59387063
  H     15.44781900      4.45148610     -9.67625702
  H     14.39057370      9.80664500    -12.51303811
  O     12.99441456     11.87493681    -14.20245154
  H     14.59772139      8.61635673    -15.67101380
  H     13.70321827     11.16615250    -12.57607035
  O     12.28928124      4.98493078    -13.29236155
  H     13.63576865      8.58641364    -16.87705341
  H     16.46021486      6.72097577    -12.06565481
  O     11.87046427      8.05572545    -16.95308576
  H     12.24887399      4.67854079    -10.09785813
  H     16.08844240      5.64167152    -13.14863910
  O     14.16943084     10.57632480    -11.97164869
  H     11.30655880      3.46182419    -10.25736203
  H     16.75629941      9.17105370    -10.97317301
  O     16.61575596      6.43410238    -12.97681543
  H     13.85113369      3.43441346    -10.85321903
  H     16.01627727     10.44836294    -11.39943822
  O     16.89037338     10.03602634    -11.37882497
  H     15.00122888      3.58337864    -11.86536132
  H     15.05742475      7.73833832    -10.48521622
  O     15.97367958      7.42858070    -10.48920194
  H     14.03385669      4.55044239    -13.48877517
  H     16.00432403      6.67267763     -9.88838508
          69
 Energy    -249.62496259656911     
  O     19.32351616      7.92100101    -11.36751967
  H     18.77157373      7.35514606    -10.81028069
  H     12.09514963      5.30555827    -12.03205753
  O     15.54089928      8.85137326    -16.21544303
  H     19.14883175      8.81862464    -11.06170732
  H     16.43010778      7.58474385    -11.24506000
  O     13.23135043      8.15727639    -11.80166245
  H     15.20293540      7.94759791    -16.22674724
  H     16.27099030      8.82334547    -12.20291578
  O     11.13810756      5.45157301    -13.68573867
  H     14.80062452      9.40209197    -15.93734375
  H     19.29775117      7.33041253    -13.02386853
  O     13.21525104     10.30890776    -15.22338846
  H     14.20052812      8.09087181    -11.83867449
  H     20.07784211      6.71136294    -14.20647883
  O     16.87369928     10.45911718    -12.70917908
  H     12.91851259      8.09602619    -12.71362429
  H     12.65910052     10.71772253     -9.89850218
  O     17.95406062      9.38783228    -14.93257663
  H     11.50551779      6.29481132    -14.00027147
  H     13.26516748      9.64519853    -10.83246407
  O     14.21064009      5.28222140     -8.94566984
  H     10.21880532      5.44160868    -13.94035734
  H     15.16598174     10.20963695     -9.56733053
  O     13.29384838      3.89483096    -14.84645208
  H     12.88671917     11.01742837    -15.77032038
  H     15.80853202      9.11890935     -8.69063046
  O     18.39721127     10.44590347    -10.35457194
  H     13.58598235     10.72233829    -14.42293804
  H     13.22450197      7.22537132    -14.87802251
  O     14.53574837      6.25278192    -15.64021359
  H     17.51278983     10.60160288    -12.00280975
  H     12.60322001      8.64134093    -14.78034504
  O     12.77746331      5.47846748    -11.37302571
  H     17.34066840     10.16804365    -13.50939936
  H     13.94907591     11.23622813    -12.09790339
  O     15.90802711      7.95890941    -11.96510977
  H     17.16697977      9.17766730    -15.45829500
  H     15.23297845     11.15013187    -12.93856050
  O     19.20557176      6.97484065    -13.92584648
  H     18.39683887      8.55610338    -14.73470925
  H     15.59558112      7.30209660     -6.97468838
  O     13.45112112     10.48384495    -10.37635637
  H     13.57969704      5.29575836     -9.67652268
  H     14.98665602      6.69760332     -8.25852063
  O     15.99676284      9.94301235     -9.15547912
  H     14.92276499      4.69642936     -9.23122703
  H     16.28850060      6.76046214    -13.20257877
  O     12.50555670      7.73179538    -14.46924226
  H     12.48008290      4.26579723    -14.48431522
  H     17.51352944      6.19397991    -13.94200575
  O     14.29099899     11.37253609    -12.98735279
  H     13.87166862      3.74158549    -14.08883875
  H     17.11924849      5.62973212    -10.05295012
  O     15.56511450      7.40500763     -7.92272744
  H     18.84809825     11.13761304     -9.87771381
  H     16.86562911      6.87607489     -9.17008422
  O     16.57486296      6.03967832    -13.78471912
  H     17.56091629     10.28034941     -9.88310331
  H     15.94636083      3.87216837    -11.02564409
  O     17.33862336      6.56459170     -9.95186785
  H     15.32216510      6.19504301    -15.07814198
  H     16.80495322      3.03829902    -10.04631376
  O     16.40679953      3.89594116    -10.16926607
  H     14.10725514      5.38811062    -15.58017826
  H     14.25653950      4.64641898    -12.13606648
  O     15.00363709      4.14678947    -12.49639965
  H     12.92237055      6.43626618    -11.40113914
  H     15.57396347      4.76297174    -12.98075249
          69
 Energy    -249.62468707780084     
  O      0.91281315     -0.11271972      2.86866425
  H      1.09038589      0.81088853      3.08473029
  H     -2.55347334     -0.14709246      3.51986513
  O     -3.02455677      0.18847330     -3.35473680
  H      1.33060051     -0.31067307      2.01617901
  H     -0.74180008      2.89877959      0.75034743
  O     -0.49328224     -1.63316073      4.79131975
  H     -2.17633132      0.42194405     -2.94129115
  H      0.47476490      2.98034550      1.70045347
  O     -4.38366063     -0.00363350     -0.87837997
  H     -3.05908325      0.64675777     -4.19054108
  H     -1.75553227      1.44575857     -0.59662463
  O     -2.41791337     -2.58550321     -2.72650083
  H      0.10239580     -1.14386089      4.20614371
  H     -3.20820491      1.19064818     -0.17876604
  O     -0.24702597     -1.98043435     -1.11102476
  H     -1.27497960     -1.08215328      4.90988093
  H     -1.90853938      0.47538685      1.33885895
  O     -3.31473723      3.09920732      2.40374976
  H     -4.19154682     -0.92903347     -0.66275833
  H     -0.76315876     -0.10389407      2.23893123
  O     -3.97332850     -2.75913361      3.85166792
  H     -4.11644094      0.11663200     -1.79766249
  H     -4.62099367     -2.86996528      0.33751280
  O      0.97931902      2.63913118      3.45659046
  H     -3.03112355     -2.76571242     -2.00128781
  H     -3.08415050     -2.81379825      0.21814629
  O     -0.72342515      0.64409403     -1.88917225
  H     -2.70335696     -1.74614625     -3.10487274
  H      1.89527459      0.23661063     -0.20362276
  O     -5.23287615      1.35843874      3.61944250
  H     -0.58706526     -2.34518652     -0.28190058
  H      1.25276634     -1.16195726     -0.21681895
  O     -2.96762421     -0.11094310      4.39908590
  H     -0.85602636     -2.29582217     -1.79474230
  H     -2.11051184      2.81246376      3.72452802
  O      0.20440083      3.05924089      0.77592825
  H     -4.04737887      2.58520413      2.76848179
  H     -1.92088153      1.60870880      4.65327560
  O     -2.41518837      1.69006806      0.06785969
  H     -3.12483110      2.71775512      1.53939741
  H      1.20315630      2.38112729     -0.47117345
  O     -1.69111001     -0.20852644      1.98086357
  H     -3.70951112     -1.88121923      4.15060660
  H      2.33788244      2.47510269     -1.52277369
  O     -3.90412567     -2.68373831     -0.28067907
  H     -3.16673785     -3.28871468      3.84611333
  H     -0.99242694     -4.73557270      4.15406967
  O      1.80117581     -0.57131660      0.31453200
  H      1.53045936      3.17271503      4.02220185
  H     -0.99160094     -3.18762853      4.16733851
  O     -1.52156043      2.44640866      4.40241330
  H      0.09707625      2.60352681      3.87109745
  H     -1.43852208     -3.35473491      1.97433824
  O      1.66562067      1.89446995     -1.17767750
  H      0.11839736      1.11063852     -1.82169672
  H     -1.65581441     -1.90008539      1.48888681
  O     -1.38782763     -3.97109598      3.74475069
  H     -0.56402680     -0.26256361     -1.58501351
  H     -6.45091269     -3.51467088      2.05281504
  O     -1.55861548     -2.81657503      1.18462393
  H     -6.01131864      1.68350941      4.06399483
  H     -5.13932001     -2.87589878      2.57115464
  O     -5.76697867     -2.89040389      1.82608782
  H     -5.53970664      0.85074476      2.84649151
  H     -5.55608445      0.06087633      0.60049927
  O     -5.96413397     -0.07918006      1.46381238
  H     -3.78622410      0.39029478      4.28455168
  H     -5.99684216     -1.03568102      1.59170685
          69
 Energy    -249.62438180270436     
  O     18.79618892      9.36051895     -6.75448352
  H     18.78918873      9.81324256     -5.91504534
  H     16.26809848      8.49862942     -8.71608414
  O     18.73904610      5.22819449    -10.81486905
  H     19.39529903      9.86003758     -7.33759914
  H     21.00491347      9.86065976     -8.78273905
  O     16.76169863      5.50317662    -12.75693519
  H     18.09624254      5.19959989    -11.53486524
  H     20.18451210     11.01377258     -9.35026304
  O     18.10948437      8.00410719    -13.12870761
  H     18.82726814      6.16373781    -10.57317364
  H     15.39012548     10.26176489    -13.48058328
  O     22.43148597      7.31872660    -12.03388881
  H     16.13756769      6.14763874    -12.38924384
  H     16.24909913     10.23448918    -12.18918879
  O     20.55679894      9.34829984    -12.86141069
  H     16.30839012      4.65312889    -12.69229918
  H     13.62913102      6.00719952    -11.81940266
  O     21.69849379      6.05844336     -7.99058625
  H     17.77374828      7.10202583    -13.19737928
  H     13.69624178      4.47680837    -11.95025382
  O     15.21804530      3.40319717     -9.35935739
  H     17.34386637      8.59266095    -13.17196484
  H     14.47855907      6.50104336     -8.80226249
  O     21.48325146      8.28043194     -9.58082189
  H     23.24218301      7.11430518    -12.49219112
  H     16.01504559      6.31690849     -8.75746113
  O     18.85576610      7.94868875    -10.38452944
  H     22.10808598      6.48139955    -11.65548141
  H     15.11888311      7.30399290    -10.72911421
  O     19.06296588      6.47821668     -6.93196579
  H     21.20986290      8.66744602    -12.66168152
  H     15.15401179      8.18333633    -12.03023970
  O     16.90741687      9.21824474     -8.80918922
  H     19.76283399      8.87837019    -13.15029446
  H     20.13633147     10.68936480    -11.77609802
  O     20.44784300     10.60624974     -8.51677108
  H     22.48671762      6.06576830     -7.45246822
  H     20.21484242     12.21790114    -11.58634111
  O     15.85219313      9.67875151    -12.88511718
  H     21.68803289      6.89644210     -8.48428625
  H     17.85684776      5.49859518     -7.81572231
  O     13.11300953      5.19896292    -11.68668950
  H     15.97088586      3.84253352     -8.94063522
  H     17.80844157      4.98215842     -9.27440948
  O     15.31497517      6.96747047     -8.91941728
  H     14.44233139      3.91369983     -9.09873604
  H     12.95727173      5.23781983     -9.93226845
  O     14.94904039      7.30827756    -11.68108265
  H     21.98913255      8.09157385    -10.37990567
  H     12.17995623      5.19048215     -8.59449773
  O     19.85144811     11.42263118    -11.20390857
  H     20.54950983      8.19875291     -9.83766673
  H     17.99863505     11.21381696    -11.00180979
  O     17.28404236      5.06682193     -8.46598262
  H     18.63383422      8.09198651    -11.31376810
  H     16.94979510     10.50264774    -10.10751705
  O     13.05476302      5.27254499     -8.96372291
  H     18.18152510      8.38430315     -9.84921269
  H     21.63724293      5.21569117     -9.78603935
  O     17.05646221     11.02368002    -10.91596560
  H     19.96198280      6.27884336     -7.22074071
  H     20.55872944      4.97893544    -10.85128967
  O     21.51189110      5.10007432    -10.73490434
  H     19.01253536      7.43541547     -6.83087163
  H     15.26206890      3.24607900    -11.10698735
  O     15.20869265      3.24854218    -12.07982479
  H     17.42924329      9.27157644     -7.99836861
  H     15.16252822      2.33603527    -12.35228572
          69
 Energy    -249.62401224113455     
  O     -4.84650575      3.80989145      2.34439091
  H     -5.61746009      3.87193380      2.90240531
  H     -4.60487139      4.03008302     -1.75512289
  O     -2.41371608     -2.72858973      0.99402996
  H     -4.13702823      4.30247151      2.79424012
  H     -1.49301543     -1.45770563     -2.27489353
  O     -1.68794261      4.08947790     -2.65782054
  H     -1.49637698     -2.67674761      0.66750664
  H     -0.44010111     -1.81715534     -3.35190748
  O     -3.43710499      1.24165271     -1.34430109
  H     -2.59060034     -3.64813129      1.17424390
  H     -1.05027575      2.51209378      4.46707009
  O      0.99610515      5.29537889      2.91687567
  H     -1.27556591      3.21703664     -2.60806760
  H     -0.83881830      3.18915339      3.07567932
  O     -1.20277184      2.98847176      1.34570647
  H     -2.62752125      3.92648692     -2.80354835
  H     -1.33693500      6.40783428      1.10640785
  O     -1.64489850      0.91204020      4.99059917
  H     -2.49998028      1.34552252     -1.56664245
  H     -1.24781379      7.81553360      1.74270359
  O     -3.08659283     -1.54766008     -1.55386623
  H     -3.91264557      1.93220228     -1.82279038
  H     -4.09539510      2.24276498      1.68972911
  O     -2.12251280     -0.46438056      2.62409202
  H      0.35009691      5.92810662      2.58079925
  H     -3.63718623      1.42908209      0.41861946
  O      0.58555157     -0.20142162      1.84616395
  H      0.50218716      4.70512953      3.50059083
  H     -2.13153246      4.55589175      3.90483340
  O      1.73964009      1.68115436      3.49224279
  H     -1.98961227      2.42942630      1.30928011
  H     -2.31866183      5.82848163      3.06053552
  O     -4.53034759      3.49787134     -2.56836989
  H     -0.48400725      2.54821293      0.87469179
  H     -0.08230933      1.63868357     -1.41022268
  O     -0.57216089     -1.30745204     -2.55675114
  H     -1.84216818      0.34469722      4.22912901
  H     -0.61007721      0.55152242     -2.37536738
  O     -0.67028019      3.28734514      4.02815100
  H     -1.41188917      0.32347779      5.70482661
  H     -3.54890750      5.13548219     -0.20460523
  O     -1.17033268      6.88539690      1.93809048
  H     -3.38044132     -0.63115197     -1.46218644
  H     -4.72741521      4.57219539      0.61205297
  O     -3.54555707      1.51268030      1.37930688
  H     -3.02878266     -1.91730702     -0.66486864
  H      1.59860771      2.45179340      0.42281856
  O     -2.80268333      5.14566230      3.54086564
  H     -2.30003530     -1.29689379      2.16933747
  H      0.90890668      1.06105709      0.60443900
  O     -0.74820816      1.46352958     -2.09076096
  H     -2.69048683      0.20421102      2.21177123
  H      0.04890639     -1.94576540     -0.82481921
  O     -4.48569728      4.90235565     -0.26055702
  H     -0.33450744     -0.26153168      2.13627325
  H      0.44825876     -1.62620828      0.64298023
  O      0.95810445      1.84273656      0.03333896
  H      1.05680866      0.32347447      2.50971993
  H      3.45362723      3.97953268      1.37932615
  O      0.09843874     -2.31739331      0.06389539
  H      0.99933523      2.18343598      3.85043288
  H      2.04963899      4.27010058      1.95789453
  O      2.59047070      3.59579869      1.50984058
  H      2.19275482      2.28842039      2.89418183
  H     -1.50670821      4.47159668      0.38853080
  O     -1.68338354      5.24980138     -0.16143873
  H     -5.23483000      3.77516772     -3.14702230
  H     -1.58605970      4.96596552     -1.08143920
          69
 Ord_Energy   -249.623657    
 O   -5.08696222     -0.526227057       2.90923929    
 H   -4.16535282     -0.232789800       2.93363595    
 H   -5.57422066      0.150589094       3.39463377    
 O   -6.26566410       1.56596839       8.76736259    
 H   -5.78459597       2.37471199       8.54969025    
 H   -5.70198822       1.07133174       9.37433815    
 O   -1.93168139      -2.02245235       7.18324471    
 H   -2.46508479      -1.27273798       6.89231968    
 H   -2.07560134      -2.70417953       6.50571966    
 O   -2.75051665       5.79626036       8.31599331    
 H   -2.52884007       6.42810917       8.99456596    
 H   -1.91314662       5.39663601       8.01881790    
 O   -4.34649038      0.114191629       10.3360519    
 H   -4.28004408     -0.765231371       9.92166805    
 H   -4.30842543      -2.01644693E-02   11.2788486    
 O  -0.891366839       5.55729055       4.56780910    
 H   -1.76032519       5.90509129       4.83801413    
 H  -0.512577415       6.19150066       3.96571565    
 O   -3.34344745       6.24922276       5.52594042    
 H   -3.88841558       5.47624445       5.32419443    
 H   -3.23957872       6.25245619       6.48545933    
 O  -0.490625620       4.69367170       7.27644157    
 H  -0.453914732       5.02363396       6.36975002    
 H  -0.383751512       3.73604965       7.21447086    
 O   -2.56215835      0.368951619       3.69817019    
 H   -2.91398716      0.152472585       4.57402277    
 H   -2.25420976       1.28188467       3.76480675    
 O  -0.680291831      -1.69332433       3.89410710    
 H   -1.27172947     -0.964887619       3.65862489    
 H  -0.158784285      -1.36233890       4.63249350    
 O  -0.621754706       1.88735163       6.84997272    
 H   -1.33587003       1.71914637       7.48222494    
 H  -0.167149276       1.04853678       6.70703745    
 O   -4.11012268      -2.20396709       8.98908424    
 H   -3.26294827      -2.31406450       8.53938198    
 H   -4.77971935      -2.24091530       8.29233742    
 O   -2.47680044      -3.53128290       5.00113487    
 H   -3.36194801      -3.36326742       4.66221094    
 H   -1.86233819      -2.99658060       4.47462463    
 O   -3.74250889       1.22455396E-02   6.23117447    
 H   -3.52160549      0.553673327       7.00145960    
 H   -4.41666746     -0.637171209       6.48172617    
 O   -5.92280054       1.32699907       4.90460253    
 H   -5.13488865      0.936382115       5.30843687    
 H   -6.65845394       1.05169761       5.46520996    
 O   -5.23880720      -2.90495300       4.21168995    
 H   -5.19843006      -2.08938766       3.68193436    
 H   -5.64956808      -3.56855583       3.66310120    
 O   -1.82198739       2.90222669       4.53941965    
 H   -1.43052745       3.77104402       4.38946247    
 H   -1.38552356       2.53145981       5.32060862    
 O   -2.87237692       1.49066079       8.40474415    
 H   -3.23766303       1.01891851       9.16334343    
 H   -3.39672565       2.29798579       8.29564476    
 O   -7.64921093      0.249769971       6.86112309    
 H   -7.20264292      0.734766304       7.57997465    
 H   -8.58551025      0.301364660       7.03193760    
 O   -4.44100809       3.66471815       5.19443274    
 H   -5.07337570       2.97976422       4.94415283    
 H   -3.56188059       3.35603619       4.93092108    
 O   -4.51093721       3.65541172       7.96568823    
 H   -3.99750924       4.43192911       8.22255039    
 H   -4.55555868       3.66663861       6.99816990    
 O   0.402285874     -0.728652894       6.48722363    
 H    1.19789946      -1.13503551       6.82351875    
 H  -0.341607124      -1.25632358       6.82310772    
 O   -5.74247313      -1.83231962       6.74220181    
 H   -5.67805243      -2.28108668       5.88757563    
 H   -6.51215076      -1.24933755       6.73401880    
          69
 Energy    -249.62278276064762     
  O     12.68510840     12.72059296    -14.18946093
  H     12.28773279     11.85300110    -14.33365283
  H     20.11807626     13.11183767    -15.75101015
  O     18.90256816      7.46133602     -9.98809519
  H     12.94067622     12.75941246    -13.25975632
  H     13.15403709      9.52385791    -15.91063965
  O     17.42068594     11.25309227    -11.73979390
  H     19.42980027      7.21397458     -9.23314322
  H     14.53025507      8.80278603    -15.92964862
  O     13.28072054      9.15029067    -12.53933940
  H     19.51735182      7.80647169    -10.66035741
  H     15.37204056     11.43301796    -14.27378674
  O     15.41803842      7.31628918    -12.21427638
  H     16.78499349     11.05730697    -12.44500365
  H     15.68040093      9.91309447    -14.08274629
  O     17.81583160      5.83387506    -12.08851996
  H     17.25347632     12.16588999    -11.47486290
  H     15.13857480     11.30535719    -18.60321492
  O     15.13174714     12.82135487    -15.40462029
  H     14.00871024      9.63733032    -12.94836263
  H     14.82513523     10.50312971    -17.31663474
  O     18.59759117      8.66932437    -15.15238859
  H     13.30099685      9.40791182    -11.60474520
  H     14.80213768      9.77038749     -9.96509402
  O     16.58478329      9.02227211    -10.32899464
  H     15.83601590      7.89075511    -11.55432127
  H     13.98432995     11.01602032    -10.39707968
  O     18.10003596     10.92605029    -16.80830652
  H     14.51308430      7.63865196    -12.29199212
  H     20.38431688      7.62579870    -12.72220504
  O     19.66744796      6.35719434    -14.00348266
  H     16.90918225      6.15505732    -12.17268720
  H     20.32296568      9.14164793    -12.44753198
  O     19.43406464     12.67998204    -15.24595789
  H     18.16421324      6.24759574    -11.28855670
  H     16.48505250     13.71996019    -14.57728293
  O     13.91008422      9.31182426    -16.46978340
  H     14.20913904     12.89854382    -15.11553840
  H     18.01856265     13.63689929    -14.41636602
  O     15.45387634     10.72874386    -13.61549177
  H     15.15675930     12.39156615    -16.26769145
  H     16.86310167     14.71457928    -10.96485657
  O     15.38765421     11.20636757    -17.68824292
  H     19.00717302      7.83094440    -14.90373803
  H     16.84104084     14.04289079    -12.36188942
  O     13.90458788     10.11222734    -10.06482119
  H     18.92255906      9.32786374    -14.52133293
  H     18.87939407     10.84691897    -12.71483035
  O     20.49543595      8.28798976    -12.02913117
  H     17.35154035      8.49809726    -10.06498099
  H     19.66585309     11.34650714    -13.95010996
  O     17.22437162     14.02626595    -14.03309249
  H     16.93482048      9.82508410    -10.74087092
  H     12.17275914      9.62183409    -13.84182958
  O     16.60448034     13.92027854    -11.42301481
  H     17.19757302     10.96312405    -17.14513718
  H     10.87961558      9.70650525    -14.68510235
  O     19.56254343     10.59553058    -13.35291538
  H     18.23529467     10.04702482    -16.43254871
  H     14.55997052     11.83381674    -12.32900473
  O     11.78300237     10.01101138    -14.64301541
  H     20.07806964      5.55149031    -14.30501341
  H     14.88686447     13.09091233    -11.51598625
  O     14.17623751     12.46489528    -11.70567563
  H     18.97819064      6.10049997    -13.36449361
  H     16.85304280      8.34465867    -14.96668390
  O     15.90565456      8.28840705    -14.77862814
  H     18.94970082     12.10338779    -15.86506301
  H     15.79894775      7.81213584    -13.94440574
          69
 Energy    -249.62242833180716     
  O      1.00837402      0.24172547      2.64353917
  H      1.40808102      0.23596111      1.76510256
  H     -2.40580822     -0.48920887      6.61292734
  O     -3.56550440      0.68702078     -3.06710535
  H      1.22535321      1.08228562      3.06823694
  H     -0.90133483      3.82317880      2.04998807
  O      0.12184451     -1.71897003      4.48318411
  H     -2.76189433      1.04681461     -2.65357480
  H      0.54809150      3.57061800      2.49006836
  O     -4.64805639     -0.21759909     -0.59344009
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  H     -4.24258150     -1.09726431     -0.56245191
  H     -0.77205203      0.11479520      2.28936977
  O     -3.43616704     -3.77303521      3.36394196
  H     -4.48791232      0.11254310     -1.48594768
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  H     -2.72548326     -2.32466763     -2.23783040
  H     -2.67430898     -2.77373736     -0.05507637
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  H     -1.81570454      2.58438143      4.17161030
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  H     -1.53653061      1.42910387      5.17668929
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  H     -0.01581290     -4.71040358      3.46259613
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  H     -0.87089850     -3.15653125      1.56031720
  O      0.77555076      2.79973906     -0.68494668
  H     -0.60407744      2.02381063     -1.43683007
  H     -1.34401346     -1.70672316      1.29311686
  O     -0.59126650     -3.99580437      3.20442518
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  H     -5.79409115     -4.69401610      1.42818118
  O     -1.11582945     -2.54368698      0.85845275
  H     -4.49860740     -0.94814358      3.16293210
  H     -4.58815468     -3.96842277      2.07319792
  O     -5.22576628     -3.93436351      1.33691219
  H     -2.96898752     -0.68623486      3.11404584
  H     -5.56058600     -0.71464387      1.03466918
  O     -5.75523728     -1.14545133      1.87606994
  H     -2.74247524     -0.54334367      5.10481765
  H     -5.74272465     -2.09271280      1.68901385
          69
 Energy    -249.62221997920784     
  O     13.64030072      4.71499884    -10.09812399
  H     13.68135819      5.54427522     -9.60801170
  H     17.31531200      9.38093656    -11.87406089
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  H     16.50337137      7.77925652    -15.19154606
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  H     16.70724195      8.01298152    -10.12036706
  H     18.48144172      6.73647313     -9.80840420
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  H     15.74627412      7.18918798     -9.24989477
  H      9.39600375      7.00475415    -11.60364101
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  H     12.63842647     10.64400637    -13.28600814
  H     10.72025714      6.22798750    -11.82140668
  O     17.12303166      7.14446046    -14.81009088
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  H     17.21730971      4.34200103    -11.14760154
  O     10.31456946      7.11585516    -11.83057744
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  H     13.39250613      7.81545757     -9.52908274
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  H     13.52134401      7.52726928     -8.01785942
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  H     11.76282365     10.37341353    -15.70556629
  H     11.66977754      8.12691100    -11.12955069
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  H     16.22356116     10.32748177    -11.29735562
  H     12.47990900      9.45875851    -11.27857565
          69
 Energy    -249.62095972995846     
  O      0.66430329      0.28200165      4.95844683
  H      0.53175026      1.23724720      4.96459419
  H     -3.39799836      3.37752883      1.64529404
  O      1.59130798     -0.40359877     -2.67964583
  H     -0.15052578     -0.09516988      5.31126374
  H     -2.00084711     -0.94766840      6.88307969
  O     -0.75515515      0.44260785     -1.23794762
  H      1.59845580     -1.33095898     -2.40879855
  H     -2.60823252     -0.96084334      5.46103105
  O      1.63359880     -2.97218145     -1.40771853
  H      0.73467752     -0.05703317     -2.40064948
  H     -1.11401853      3.28446212      1.61174177
  O      3.13245604     -1.72368102      0.48075037
  H     -0.11406180      0.74819436     -0.58118962
  H      0.25878000      2.49927274      1.47452911
  O     -4.45996181      3.03588833      3.25446679
  H     -0.92632210     -0.49146391     -1.04641697
  H     -2.23376554      1.40338900     -1.35185484
  O     -3.26765030     -3.59295150      2.58392611
  H      2.03443924     -3.79741608     -1.66672635
  H     -3.31356760      2.11003282     -2.20490465
  O     -0.04672314      3.06436597      4.75557682
  H      2.18871167     -2.59905993     -0.69941728
  H     -1.35009027      1.32160284      2.22639502
  O      3.41342797      0.73345750     -1.00739175
  H      3.40608822     -0.90135085      0.05680990
  H     -2.30045313      0.81839723      3.31209485
  O     -5.40688251      0.32158598      2.99121312
  H      2.67797936     -1.46846895      1.29529985
  H     -0.11210187     -2.60702231     -0.88980501
  O     -3.84497264     -1.49120100      4.41101362
  H     -4.95111518      3.73790889      3.67549507
  H     -0.91024228     -2.19688991      0.38161443
  O     -2.73115306      3.58009388      0.97756252
  H     -3.83295812      2.70091469      3.91803724
  H      0.70084730     -1.36706210      2.41051759
  O     -1.92410940     -0.54827785      6.02073183
  H     -3.48048940     -4.51793836      2.67043804
  H      1.33827984     -0.40178025      3.42308231
  O     -0.33639924      2.95220701      2.08661565
  H     -3.49950700     -3.33500436      1.67354789
  H     -1.75311703      2.40353331      4.95307185
  O     -3.07837011      1.88488843     -1.30860857
  H     -0.09007489      3.09491554      3.78215847
  H     -2.46669459      1.13007766      5.46616075
  O     -1.93013345      0.58587498      2.45357327
  H      0.41770984      3.84706755      5.03821930
  H      1.28180457      0.53626731      1.31200682
  O     -0.95226290     -2.24299174     -0.58554315
  H      2.83303027      0.36725973     -1.69890818
  H      1.99971087      1.19811359      0.10360752
  O      1.46450150     -0.78776164      2.54449698
  H      4.12293048      1.18859707     -1.45184859
  H     -1.32592724     -1.11727139      2.33898861
  O     -2.59651891      1.93030016      4.94096709
  H     -5.24962789      1.26425137      3.11616154
  H     -1.66017528     -2.63153807      2.43841807
  O      1.18930933      1.21502938      0.62676971
  H     -5.12472059      0.14793769      2.08287193
  H     -2.80120840     -2.67397091     -0.36185334
  O     -0.97246691     -2.00651794      2.18160732
  H     -4.46719098     -0.88587194      3.98268225
  H     -3.90744143     -1.76498000      0.19150877
  O     -3.67072108     -2.69425224      0.05817709
  H     -3.74061490     -2.24725119      3.82269506
  H     -3.84945802      0.64624734     -0.12525658
  O     -3.97909327      0.02706061      0.60184685
  H     -2.94929485      3.06899078      0.18904766
  H     -3.27509626      0.21749757      1.23955019
          69
 Energy    -249.62076774557900     
  O     15.82067603     10.21047575    -16.68591807
  H     14.94959630     10.28466876    -16.27996316
  H     17.83287454      5.78935898    -12.28609021
  O     15.91607766      5.57684597    -12.67564229
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  H     19.21402632     10.55056772    -17.22551341
  O     17.67649853     13.88880302    -11.68386657
  H     15.36849287      4.82088953    -12.48229045
  H     20.42354101     10.20566011    -18.12551600
  O     20.00145264      8.84287107    -14.94219050
  H     16.00352330      5.62436477    -13.64327793
  H     18.16714987      8.67997347    -14.89872854
  O     14.05740445      7.37522033    -16.45472086
  H     18.39935638     13.38576957    -11.26639251
  H     16.88980727      8.58724849    -14.00241923
  O     17.64386198     10.57625639     -9.14618947
  H     17.87807581     14.81280076    -11.56750947
  H     13.59813529      8.88498613    -15.61919122
  O     16.12860024      8.34504538    -12.33365212
  H     20.15362673      7.88577011    -14.88453541
  H     12.49547284      9.94266011    -15.39677707
  O     17.46423904     12.05009670    -13.80719111
  H     20.08555850      9.11847878    -15.86146615
  H     18.25204104      9.17778406    -10.23007256
  O     20.08829824      6.16114830    -14.68661064
  H     14.69420316      6.78288102    -16.03422530
  H     18.94114724      9.22435390    -11.61419171
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  H     14.45154517      7.59002982    -17.30884575
  H     19.01725988     11.67686459     -9.97322705
  O     16.27664322      6.03238310    -15.34506899
  H     17.38537555     10.59123046     -8.22862039
  H     19.74285576     11.62445636    -11.33015197
  O     18.75962415      6.04794649    -12.23887070
  H     16.93809975     11.02669628     -9.64353397
  H     18.81359314     10.98592763    -13.15913442
  O     19.75062778      9.81586219    -17.57333926
  H     15.91247281      7.40524442    -12.35606415
  H     19.87155091      9.91438657    -13.51953846
  O     17.20414921      8.60719293    -14.91542554
  H     16.92981880      8.44033736    -11.79823310
  H     15.41075389     11.58777720    -11.43336486
  O     13.42782062      9.78067368    -15.27717750
  H     17.51550579     12.78968778    -13.18835777
  H     16.33282034     12.72589633    -10.95701881
  O     18.50105999      8.63149732    -10.98613468
  H     16.61930362     11.60913413    -13.64637272
  H     18.77968646      8.23787500    -18.02204434
  O     19.51842906     12.21570751    -10.59776203
  H     19.56050759      5.69422548    -15.34248244
  H     17.38172863      7.70669191    -18.42543852
  O     19.53534846     10.45632516    -12.79214318
  H     19.66169280      6.03035554    -13.82599169
  H     14.41442700     10.50373940    -13.78510182
  O     15.83017705     11.96128742    -10.64828876
  H     18.73671953      4.40487061    -17.39785461
  H     15.35907930      9.87523136    -12.74463152
  O     18.27640883      7.43243552    -18.19113312
  H     18.43185520      5.92157360    -17.35010011
  H     18.04930526     11.96068226    -15.60683632
  O     15.04825958     10.72545954    -13.09493975
  H     16.93077811      5.54193869    -15.85810078
  H     17.26406474     11.36644463    -16.76796701
  O     18.12863979     11.73704773    -16.54303228
  H     16.63141949      6.93127681    -15.25947015
  H     15.33001214      8.74778274    -19.52038169
  O     15.61449863      8.37076437    -18.69126253
  H     18.78329894      6.85239071    -11.70574346
  H     15.69864638      9.10798943    -18.06161817
          69
 Energy    -249.61900197468924     
  O     17.12960087     10.74429217    -15.19043394
  H     17.16492988     10.26111865    -16.02494043
  H     15.75931122      4.17715925    -16.53075398
  O     14.23613523      6.70032262    -16.12582759
  H     16.20442318     11.00523973    -15.08802925
  H     19.48782488      5.94857047    -14.55535795
  O     17.86432393      6.91470989    -11.77638020
  H     15.11386717      6.90800917    -15.76482640
  H     19.33110218      5.55857444    -16.06068050
  O     19.77244928      5.81832773    -17.83094607
  H     14.36685916      5.89618835    -16.64183166
  H     18.84165764      8.83287912    -17.63307557
  O     17.20119337      6.17443396    -18.58198740
  H     17.49196441      7.74135930    -12.12276080
  H     19.90831686      7.72434759    -17.61151802
  O     13.91255386      8.58400156     -9.96137550
  H     18.74901599      6.86119273    -12.15391365
  H     17.48735639      6.61960122    -15.18537445
  O     13.68200513      6.56707702    -13.42731676
  H     18.86261255      5.88819336    -18.17422556
  H     16.82636959      7.81780491    -14.42698603
  O     16.75872460      9.04476503    -13.02677591
  H     20.27511561      5.32863619    -18.47605494
  H     14.10848154     10.41423402    -14.03389352
  O     16.62784229      3.88777753    -15.04859256
  H     16.95092864      7.08494505    -18.39217488
  H     13.72910541     11.75562758    -14.69680146
  O     12.77760107      6.24833368    -10.76760723
  H     16.51228439      5.60573777    -18.21561313
  H     15.03430772      3.82245712     -9.33520105
  O     19.77083251      9.36603235    -14.76547050
  H     13.47562083      8.96482504     -9.20381092
  H     15.38757938      5.28362149     -9.71260339
  O     15.30215878      4.42051138    -17.35652590
  H     13.43299224      7.76380079    -10.18021351
  H     14.06074310      8.43564720    -16.86838234
  O     18.93250414      5.47144201    -15.18430673
  H     14.45998322      6.05317668    -13.16517090
  H     14.15431361      9.90591862    -16.40396789
  O     19.76892382      8.65986475    -17.42342264
  H     13.65981965      6.55372648    -14.39270967
  H     20.07765820      7.95903532    -13.79075340
  O     16.78003891      7.27524653    -15.22236538
  H     15.81445979      9.13752226    -12.84498274
  H     21.15009931      7.14880575    -13.02710213
  O     14.29795080     10.99445591    -14.78878700
  H     16.98916103      9.70913204    -13.68939260
  H     15.55098676      4.69957699    -11.74834794
  O     14.89547772      4.49212555     -9.99892795
  H     16.28688079      4.17915890    -14.19326014
  H     16.61580647      5.64981010    -12.35059445
  O     14.25370751      9.33332244    -17.17314083
  H     17.51943922      4.25769286    -15.10220997
  H     16.87231193      6.90727366    -10.17594081
  O     20.24249220      7.12235369    -13.31842114
  H     12.87898327      6.28612882    -11.72841872
  H     15.56122956      7.53778836     -9.63313514
  O     15.88179747      5.06309368    -12.57934836
  H     13.35283110      5.53235674    -10.46907978
  H     13.83262828      8.30775208    -13.00405113
  O     16.19302050      6.82293538     -9.49306119
  H     19.88697252      9.13749256    -15.70162292
  H     13.94135039      9.17399931    -11.72482920
  O     14.01026922      9.20682752    -12.68752893
  H     19.09602842     10.04817296    -14.75183933
  H     16.97756717      8.29262787    -16.66976742
  O     16.93967326      8.87385484    -17.44750965
  H     14.97693473      3.61083517    -17.74040769
  H     16.00931000      9.12686659    -17.54260503
          69
 Energy    -249.61871484718006     
  O     12.42292886     11.65455282    -13.23884014
  H     11.85782925     12.42366468    -13.23714105
  H     17.68172052      6.16216507    -13.23088727
  O     19.26641838      9.18218032    -12.15975681
  H     13.27300179     11.93266566    -13.61830044
  H     17.87824424     11.65851021    -16.74471173
  O     15.89349026     10.14800957    -11.36540744
  H     18.99499034     10.03551741    -11.80388323
  H     19.26588621     12.34694227    -16.75876026
  O     11.97668419      9.19257682    -14.53265794
  H     19.17732450      9.26205943    -13.12049824
  H     12.64188315      9.25797037    -17.61910472
  O     14.35887593      7.97552434    -15.35036944
  H     15.89647161      9.99935971    -12.32346981
  H     12.06234155      9.74972270    -16.28389057
  O     14.52930800      6.22575044    -13.22320344
  H     16.65440763     10.71138718    -11.18656958
  H     16.93854844      9.67679763    -14.34523829
  O     18.35647027      6.71270604    -11.55224743
  H     12.08214567     10.00192983    -14.01510213
  H     15.48834566      9.13978665    -14.54746662
  O     14.80780999     12.24125437    -14.48252512
  H     11.80937810      8.46642204    -13.91751675
  H     13.54253241     12.93209981    -17.71861644
  O     18.29482646      7.07501005    -16.29690847
  H     13.53524618      8.43020252    -15.13163402
  H     13.34496617     11.49605386    -17.18300619
  O     15.68721670      7.40534934    -10.96928735
  H     14.47307041      7.28291939    -14.68510229
  H     12.89707692      8.77226943    -10.46325716
  O     16.52236252     11.13923072    -17.63192955
  H     13.57407415      6.28915338    -13.10703707
  H     13.81651683      7.53454402    -10.43122645
  O     17.24660307      5.95037949    -14.06669194
  H     14.92071321      6.64315378    -12.44050864
  H     18.79741161     10.24763440    -15.38396160
  O     18.64655282     11.89574987    -16.19204969
  H     19.02465640      6.25038498    -11.05365176
  H     18.64891454      8.68329302    -15.44838688
  O     12.34450874     10.04429837    -17.16283421
  H     18.70439665      7.60601125    -11.72715920
  H     16.55691074     12.87307662    -13.95100573
  O     16.01667923      9.80427326    -14.08925791
  H     15.26190984     11.38716222    -14.39888395
  H     17.94283603     12.62381101    -14.57196017
  O     13.93464963     12.26881162    -17.15639591
  H     14.55405033     12.33799189    -15.40936409
  H     18.57060681     12.41162014    -10.81066682
  O     12.89140754      7.80258517    -10.47831967
  H     18.88080654      6.44562521    -16.70855885
  H     17.99179273     12.17951108    -12.22439435
  O     18.69025633      9.44550014    -14.85686626
  H     17.90579155      6.62932170    -15.52232308
  H     14.16088427     10.49366131    -10.84415090
  O     17.50188044     12.89218345    -13.75636549
  H     16.59038810      7.07181014    -11.03109932
  H     12.85531494     10.95483886    -11.50316898
  O     18.21516228     11.73902360    -11.38533049
  H     15.76166682      8.36941288    -11.02480253
  H     16.85214813      7.91850134    -17.22749939
  O     13.20289815     10.53332412    -10.71001506
  H     16.37077199     10.18203819    -17.64749491
  H     15.40507477      8.22030711    -16.82508763
  O     16.07253152      8.41911748    -17.49615790
  H     15.65598435     11.55258481    -17.56357073
  H     11.04623226      6.41389595    -12.60745135
  O     11.78883102      6.98609008    -12.78115148
  H     16.30908724      5.86010690    -13.86045534
  H     12.12152791      7.28567750    -11.91410250
          69
 Energy    -249.61805793126780     
  O     11.38637640     11.34784104    -11.86649973
  H     11.70300263     10.55906793    -11.38980627
  H     14.64359634      7.27671203    -14.09468246
  O     17.00034865     12.28159097    -12.56480267
  H     10.46451722     11.45011407    -11.64579539
  H     15.44782011      9.51190219    -13.19744186
  O     13.74388427      6.86625398    -11.39837206
  H     16.52894096     13.11314646    -12.44119797
  H     14.31635332     10.58002779    -13.32413428
  O     16.56393207      7.37390514    -11.04569726
  H     16.32385581     11.60296961    -12.71483780
  H     12.94457968      9.83984835    -15.42600056
  O     19.17116821      7.90714221    -12.02117272
  H     13.64368739      6.93234750    -12.36510689
  H     12.43946309      9.14084089    -16.70896394
  O     12.82968081     11.13114552    -14.25273029
  H     13.39170297      6.01486535    -11.14920203
  H     17.97320688      9.99988574     -9.99145885
  O     18.07445320      9.18254710    -15.46065601
  H     15.61550929      7.19280597    -11.06164111
  H     17.83257269      9.47145852     -8.54695972
  O     18.89870177     10.67727740    -11.35286141
  H     16.70930650      8.08340898    -10.40737848
  H     20.74219796     10.01230096    -13.86518537
  O     15.72349795     10.04738978    -16.85618744
  H     19.07631198      8.84279271    -11.79612743
  H     20.02071033     11.35409455    -14.08801722
  O     20.45406146      8.14296442    -14.40088477
  H     18.40879561      7.47062988    -11.62606349
  H     14.96660526     13.22335395    -15.43859407
  O     16.29229444     12.68500792    -16.69447465
  H     13.24080369     11.98081839    -14.48061279
  H     14.60844580     13.82706693    -14.05490448
  O     13.69189747      7.08853285    -14.09994102
  H     12.24415100     11.25682349    -13.49623874
  H     14.59036629     13.98003404    -11.79545775
  O     15.10359425     10.33275067    -12.82440399
  H     18.19153179     10.12526897    -15.27427260
  H     15.26572459     15.34820465    -12.05815317
  O     13.11725550      9.10345723    -16.03839207
  H     18.92051497      8.76031466    -15.26736833
  H     14.02847082     12.28019420    -10.42154444
  O     17.36009642      9.57249371     -9.36966857
  H     18.21828432     11.28545814    -11.67618973
  H     12.73220591     12.57679052    -11.19128279
  O     20.62632413     10.89400966    -13.49167469
  H     19.64566965     10.78940424    -11.95889007
  H     17.79352518     12.28863873    -15.61585802
  O     14.23897741     13.37582164    -14.82310450
  H     16.46228069      9.55611543    -16.47633820
  H     17.93620821     12.10456632    -14.09536371
  O     15.23476795     14.44481137    -12.36027791
  H     14.90879779      9.61384877    -16.57872559
  H     12.80711581      8.42308870    -10.82261462
  O     13.53102228     12.99221479    -10.84751575
  H     20.02995166      7.94572528    -13.54595809
  H     13.25339666      9.72628747    -10.15181719
  O     18.37447194     11.92045659    -14.93934262
  H     21.11578880      7.47182427    -14.54242441
  H     14.93031125     10.48631898    -11.04125813
  O     12.47575241      9.27061318    -10.50419608
  H     16.04272405     11.74849233    -16.80097030
  H     15.68476870     10.35912534     -9.69463010
  O     14.85375210     10.64652208    -10.08619850
  H     16.32955000     13.05951514    -17.57082440
  H     16.96966501      8.34807435    -14.31710208
  O     16.24810359      7.99707901    -13.77970510
  H     13.33612958      7.67287839    -14.77777406
  H     16.58680057      7.76287695    -12.90692854
          69
 Energy    -249.61766702063869     
  O     14.50745889      6.21853299     -8.56127816
  H     13.70044418      6.22835004     -9.08833498
  H     13.32610542      8.62142000    -13.78271222
  O     13.97924162      7.41740887    -16.40910631
  H     15.17641048      5.77391116     -9.10156768
  H     17.47187795      9.24286242    -13.28085538
  O     17.65978265      8.19557939    -14.76158838
  H     13.42554747      7.13452749    -17.13223069
  H     16.91272724     10.52186124    -12.53592604
  O     15.93678083     11.99352068    -12.70911713
  H     13.38960027      7.79695867    -15.73424753
  H     14.24780568      8.89930238    -11.74249848
  O     10.73800940      7.29052904    -12.71944037
  H     17.04484544      7.44850943    -14.73194131
  H     15.53365759      8.99950551    -12.60169818
  O     18.56539423      3.98656949    -11.55292843
  H     18.54485793      7.82919808    -14.64077123
  H     20.96135897      6.99702661    -14.34100771
  O     17.57595557      8.00275436    -10.24044226
  H     15.64008698     12.08146279    -13.62452240
  H     19.99223149      6.86213181    -13.14164308
  O     13.33364938     11.85320103    -11.37312273
  H     15.13633071     11.99784494    -12.17231529
  H     15.24729296      5.65815279    -11.67817994
  O     18.25945705      4.64244712    -14.16891645
  H     11.23037861      7.03424473    -11.92515406
  H     14.65314696      6.87777269    -12.44032952
  O     14.91871859     12.02343881    -15.36538933
  H      9.82483056      7.07997924    -12.54164418
  H     16.55254866      9.22748106    -15.83940654
  O     12.57513467     11.34247795    -13.92589798
  H     18.92689307      3.10897938    -11.46586852
  H     15.17230888      8.91871963    -16.44617676
  O     12.56028429      8.54497690    -14.37385245
  H     18.42272195      4.14043920    -12.50426808
  H     15.22618992      6.37841964    -15.43324523
  O     17.23600728      9.61552535    -12.42066678
  H     17.00731723      8.33958958     -9.53916746
  H     15.37719520      5.85085437    -13.98423734
  O     14.64195454      8.63394264    -12.58473594
  H     17.48773506      8.61255529    -10.98960361
  H     19.13199993      7.14247830    -10.92487800
  O     20.04081354      6.89936996    -14.11399636
  H     12.99335481     11.66668925    -12.26733342
  H     19.45402708      5.69020638    -11.33934443
  O     14.58034940      5.91556535    -12.33069751
  H     12.92312455     12.66648276    -11.09047364
  H     12.74770108      7.64359658    -10.42033535
  O     15.79459672      9.63572409    -16.27822851
  H     17.42128943      4.99793401    -14.49141087
  H     13.14147052      6.35024567    -11.20475692
  O     15.86356791      6.02064500    -14.80335361
  H     18.91457424      5.33961278    -14.29783419
  H     16.89257432      6.32213288    -10.36474911
  O     19.75426255      6.60334228    -11.42914729
  H     15.23719436     11.17331782    -15.71790908
  H     17.16446597      4.83032335    -10.70438532
  O     12.48608018      6.72801912    -10.59916311
  H     15.07352733     12.67532503    -16.04367943
  H     15.69438852      8.97277348     -7.42638695
  O     16.48893482      5.44134993    -10.38681627
  H     12.40918459     10.42031451    -14.15811716
  H     15.17868387      7.81294710     -8.31360847
  O     15.55609892      8.71180115     -8.33317655
  H     13.30739517     11.62756409    -14.48835346
  H     13.41093474     10.25968535    -10.45738820
  O     13.51362958      9.33945155    -10.17788665
  H     11.85981531      8.10279408    -13.87341806
  H     14.21624073      9.29294427     -9.51634045
          69
 Energy    -249.61762868990195     
  O     11.92377415      9.46720814    -15.21940338
  H     12.50146568     10.16598108    -15.54815009
  H     15.50066123      8.96146387    -15.58662323
  O     15.93479965      6.81081463    -11.78249273
  H     12.06539772      8.70121372    -15.78821360
  H     14.16186657      7.48776628    -14.17301515
  O     17.40193319     10.88235098    -12.64553657
  H     16.77461464      7.28199017    -11.69812227
  H     15.33492223      7.68815554    -13.19366718
  O     13.00175863      6.02687384    -14.23977048
  H     15.30845462      7.17603207    -11.14183838
  H     11.29053293      9.51578444    -13.58473411
  O     14.92759505     11.36936414     -9.14072016
  H     16.46755349     10.90890245    -12.89449142
  H     10.03715100      9.75351191    -12.71174780
  O     14.03082036      7.99553307    -10.16572166
  H     17.47742706     11.35990638    -11.80982083
  H     17.91498057     10.20941784     -9.48874364
  O     14.71865587     10.73784024    -13.36842615
  H     12.55959497      6.26617213    -13.41120792
  H     18.19406791      8.82612031    -10.10388335
  O     15.59653794      8.81776080     -7.99744788
  H     13.71770696      5.41126184    -14.02672371
  H     12.62259960      7.16571398    -11.20025954
  O     16.77748025      6.28006755    -15.42197561
  H     15.05471224     10.56148440     -8.62777091
  H     11.54713081      7.81273535    -12.09770707
  O     15.30765465      4.67511706    -13.54133815
  H     14.20788349     11.18430392     -9.75776676
  H     18.10426009     10.45584629    -14.36755318
  O     19.11668752      7.37409374    -14.46534229
  H     14.49051193      8.16867451     -9.33444738
  H     18.68193852      9.18534868    -15.02284138
  O     15.81444827      9.52968884    -16.30308373
  H     13.73165628      8.85519610    -10.49404749
  H     17.95305304      9.21026466    -12.19016307
  O     14.94264539      8.03313751    -14.01002801
  H     14.41365803     11.16795808    -14.17596675
  H     18.66551662      7.93953348    -12.71352867
  O     10.96344455      9.53037544    -12.66784306
  H     14.72165760      9.78697100    -13.55542027
  H     17.71435138     12.79373898     -9.67981394
  O     17.94991720      9.26716646     -9.28065370
  H     16.47210427      8.90357281     -8.41576289
  H     16.49602137     11.84120545     -9.74583270
  O     11.98330116      6.97511613    -11.89721400
  H     15.74501375      8.52332464     -7.10306470
  H     15.48622191      7.98685121    -17.40182419
  O     18.27519855     10.03719410    -15.22143161
  H     16.37104705      6.37092954    -16.29595093
  H     14.29255696      7.02235087    -17.37540172
  O     18.24420885      8.32191383    -11.93465913
  H     16.19885159      6.79038269    -14.84144681
  H     13.72153908     10.68358552    -11.88121068
  O     17.40663423     11.97733424    -10.06418232
  H     15.92982621      4.88090414    -14.24839514
  H     12.29044911     10.24198973    -11.53679576
  O     15.23583671      7.06892769    -17.57225758
  H     15.56180602      5.24503772    -12.80143594
  H     14.59681986     10.79914545    -16.23539969
  O     13.13690792     10.47651410    -11.13715653
  H     19.89465404      6.90247201    -14.75290569
  H     13.91110488     12.14314290    -16.58614126
  O     13.88172464     11.40863692    -15.97930209
  H     18.35345326      6.91720351    -14.85664265
  H     11.80816971      6.57453002    -17.16484924
  O     12.47097400      7.05613233    -16.67537397
  H     16.72025934      9.77480925    -16.06082830
  H     12.59537856      6.58107265    -15.83382078
          69
 Energy    -249.61738849551381     
  O     10.92838921     10.03331085    -10.98341562
  H     11.70247841     10.51058834    -11.30545506
  H     14.94870825     13.69004674    -13.95421790
  O     13.47396405      7.44189148    -14.81388803
  H     10.40261890      9.81978087    -11.76491287
  H     15.98276410      9.26461578    -13.79459894
  O     17.46248834      9.71159754    -10.55157211
  H     14.20088208      7.88241672    -14.34292351
  H     15.34275419      8.66446136    -12.50756700
  O     12.01715197      9.78444661    -14.52402398
  H     13.16243487      6.75250853    -14.21343767
  H     10.98145060      8.54146430    -10.06908327
  O     15.98806502      5.50420981    -10.63764391
  H     17.99636340     10.02662461    -11.28945829
  H     10.49229325      7.70553026     -8.86189962
  O     12.95262982      5.59355984    -12.80881765
  H     17.74362056      8.79840210    -10.40435434
  H     18.46212958      6.99776743    -13.65591133
  O     14.79203520      9.26232110    -10.88215434
  H     11.12933535      9.56554557    -14.21602751
  H     18.82284377      7.23402395    -12.17301811
  O     15.62920853      9.90227907    -16.88035134
  H     12.46070153      8.94635673    -14.71504419
  H     11.13596256      6.11173732    -12.54339816
  O     15.46657932      4.30183477    -13.19150324
  H     15.83809547      4.99830817    -11.44400214
  H     10.47633132      6.81792703    -11.34165028
  O     16.80113049     10.71374116    -14.43935358
  H     15.14178621      5.91787097    -10.42012865
  H     19.10608944      9.24536258    -13.02968106
  O     15.33604995      6.98278856    -16.79886175
  H     13.70212289      5.01162815    -12.98046388
  H     19.96537668     10.52681509    -12.91612049
  O     14.91423318     12.74003090    -13.88574137
  H     13.16483003      6.06320966    -11.98711198
  H     16.53648349      6.42619134    -15.39314948
  O     15.57628764      8.47033422    -13.42248212
  H     15.68999155      9.56229666    -10.67604326
  H     16.46604773      7.05455831    -13.99289925
  O     10.97302220      7.64688863     -9.68286789
  H     14.29080009      9.97931400    -11.29377739
  H     18.76716091      6.59085135     -9.70485436
  O     19.04817360      7.49715479    -13.07600082
  H     15.63120748      8.94062951    -16.91042000
  H     17.43290243      6.43611196    -10.46726031
  O     10.34395100      6.59168054    -12.27152818
  H     16.18615622     10.15258784    -16.13015006
  H     12.94573324     11.02654520    -15.58381419
  O     19.06560620     10.21159666    -12.90927687
  H     15.99475566      4.95354659    -13.68185048
  H     14.25322834     11.02891266    -16.41270824
  O     16.84966950      6.31091682    -14.48783613
  H     15.76808405      3.43952491    -13.46654534
  H     14.00015337      7.74578348    -10.52868898
  O     18.24640055      6.96773072    -10.40940952
  H     17.62555209     10.68566189    -13.93698804
  H     12.70253252      7.06211080    -10.02894063
  O     13.62241852     11.60577176    -15.95707338
  H     16.28907445     11.48499900    -14.16381567
  H     13.80062107     11.73329867    -12.71373670
  O     13.56672392      6.88464974    -10.41771758
  H     14.99595718      6.61620685    -17.61158469
  H     12.84197002     10.58351300    -13.08238954
  O     13.24111999     11.04747398    -12.33128257
  H     14.57570148      7.09168477    -16.20242449
  H      9.83957610      8.09265360    -13.01217984
  O      9.62143948      8.99135291    -13.31828742
  H     14.43328301     12.41680904    -14.67202872
  H      8.70411123      8.98063743    -13.57717266
          69
 Energy    -249.61733438317088     
  O     12.54394284      3.94376864    -13.81318157
  H     12.20270207      4.39295449    -13.01879118
  H     16.83444717      5.65572515    -12.80204762
  O     17.10475072      7.04856553    -11.70279405
  H     11.83348981      3.40575209    -14.15156406
  H     20.35171845      8.54887151    -11.48822689
  O     16.21563103     11.53812834    -12.91513640
  H     16.64553660      7.69443501    -12.26627860
  H     19.41983222      8.44773213    -12.71705928
  O     17.19342887      9.35893456    -15.73967780
  H     17.98537076      7.41272322    -11.56119831
  H     15.59614928     12.42022873    -16.41093527
  O     14.86911930      3.28197614    -12.24487164
  H     16.08281195     10.57588634    -12.94148760
  H     14.82365041     11.46060241    -15.47481048
  O     13.00988367     10.28024644    -10.28651683
  H     16.24533287     11.80904450    -13.84007189
  H     14.97416691      8.66316648    -13.56396429
  O     15.06681726      6.95229434     -9.88861532
  H     16.78228870      8.63015028    -16.23173203
  H     16.38619907      8.92795852    -14.17406830
  O     13.30727215     10.94220838    -14.78280524
  H     16.71080158     10.17470096    -15.91364728
  H     12.42341772      4.80926512    -10.82440361
  O     18.37424336      5.55820198    -15.46115731
  H     14.07898749      3.35481981    -12.79488793
  H     11.94409033      6.11350027    -11.47419173
  O     15.51657931      9.60697946     -9.02900073
  H     14.60886782      3.58303588    -11.36569928
  H     17.22577598     11.01051638    -11.38393254
  O     19.26924456      8.08067604    -14.40767405
  H     13.15708436     10.99217090    -10.92118277
  H     18.21513161      9.88204279    -11.01893755
  O     16.61368017      4.98833222    -13.46638705
  H     13.84959754     10.14634832     -9.82964046
  H     14.00944995      4.06638987     -8.87153202
  O     19.43687449      8.59088593    -11.75294433
  H     15.82144592      6.88708072    -10.49296507
  H     14.38584654      5.30621414     -9.71213408
  O     15.71437988     11.76109239    -15.73265929
  H     15.15537037      7.81085225     -9.45674822
  H     14.57433251     12.08167002    -12.39565307
  O     15.89828677      8.83721440    -13.34319798
  H     13.20710042     11.38168876    -13.93036728
  H     13.55075270     13.19944340    -12.09077033
  O     11.82510036      5.15417444    -11.49857851
  H     13.18312442      9.99751457    -14.61555246
  H     15.11899766      5.59755236    -14.41151450
  O     17.53859056     10.46416549    -10.65216737
  H     18.83152897      4.78366963    -15.77856593
  H     13.66158115      5.16601086    -14.67465437
  O     13.98329020      4.42297121     -9.75597928
  H     17.77802436      5.25980785    -14.75238526
  H     12.66252140      8.67353606    -10.98995971
  O     13.63431202     12.25838730    -12.22621526
  H     16.24921090      9.90012020     -9.59842160
  H     13.55651361      7.42473270    -10.92810703
  O     14.32321754      5.82860415    -14.91055890
  H     15.70323160      9.94227133     -8.15540321
  H     13.55800105      7.40730626    -14.41155764
  O     12.76444840      7.78042424    -11.35064135
  H     18.68416793      8.65789354    -14.91783929
  H     12.99598026      8.06948909    -13.11530758
  O     13.28532375      8.24921873    -14.02173287
  H     19.10053223      7.19264153    -14.74401237
  H     15.45055956      6.61090529    -16.26985925
  O     16.21303372      7.00392346    -16.71216129
  H     16.09804956      4.29614488    -13.02764318
  H     16.97319375      6.47280409    -16.44151184
          69
 Energy    -249.61732301212015     
  O     15.48870406      4.79542417    -16.22715388
  H     15.66059006      5.74168983    -16.31211984
  H     16.33915700     11.36465076    -14.14064806
  O     18.30422111      6.54660614    -10.15082968
  H     14.54639765      4.71952682    -16.02925230
  H     16.20336283     10.64635669    -16.20089129
  O     14.36498722     11.67480580    -10.40973620
  H     18.16538105      6.06098661    -10.97475830
  H     15.79567713     10.78280291    -17.68776645
  O     19.07992040      9.78016051    -13.39462549
  H     18.34521764      7.48435579    -10.37909653
  H     16.36362226      8.12464002    -13.08201202
  O     16.67258280      3.25695096    -14.33003030
  H     14.51813659     11.56003108    -11.36308440
  H     15.06430049      8.10490305    -12.20407028
  O     13.29569031      9.07259506     -9.82613043
  H     13.94043035     12.52226719    -10.30276254
  H     12.04993845      4.19216905    -15.42130926
  O     16.29740161      5.88321594     -8.49550775
  H     20.01179929      9.98425945    -13.38450182
  H     13.20120275      4.27343446    -14.39115419
  O     13.48691646      7.30224675    -11.89246320
  H     18.80895794      9.67116972    -12.46699678
  H     16.16099585      9.83427970     -8.49511393
  O     15.16656265      8.32976391     -7.79588111
  H     16.32288619      3.80499849    -15.05613950
  H     15.88229887     11.02914073     -9.42097855
  O     15.67979974      7.61028496    -16.03348185
  H     17.10104221      2.50700316    -14.73336493
  H     15.35286809      5.35756296    -10.09922859
  O     17.44195751      5.26575227    -12.52386369
  H     13.86739115      8.79582809     -9.09971627
  H     15.88718194      5.27055896    -11.54531898
  O     17.04213033     11.25191705    -14.79488201
  H     13.55136752      9.98152296    -10.02481592
  H     17.22625878      8.99932425    -11.37067462
  O     15.65509335     10.25661365    -16.90560488
  H     17.06666101      6.13187577     -9.04185751
  H     17.71906998      9.80670796    -10.16142867
  O     15.86757306      8.60046984    -12.40530977
  H     16.58486738      5.17562555     -7.92419595
  H     14.19777631     10.89606995    -13.72783500
  O     12.82676645      4.69258349    -15.18668395
  H     13.28684363      7.90386950    -11.15864906
  H     15.23126432     10.21016449    -12.80282856
  O     16.59090741     10.56276860     -8.95936528
  H     13.92007767      6.51670113    -11.53206252
  H     12.99060096      6.53899656    -14.90445575
  O     15.08089864      5.20853891    -11.01078379
  H     14.94154943      8.29416958     -6.86857553
  H     13.26413335      7.42217457    -13.66962367
  O     18.03252111      9.26954354    -10.90199567
  H     15.55252279      7.46918322     -8.02025150
  H     14.96529077      3.28592083    -13.45134563
  O     14.84207931     11.07000896    -13.02597209
  H     15.69531373      8.47230846    -16.46751834
  H     14.30437755      4.01396255    -12.26860600
  O     13.26517499      7.42491998    -14.63826342
  H     14.85752992      7.56979743    -15.52218343
  H     13.98663508     10.27689136    -15.86770508
  O     14.10778571      3.53149502    -13.08111875
  H     17.59220189      6.00676741    -13.12984646
  H     13.14540428      9.29136308    -15.03248113
  O     13.32612748     10.23123174    -15.16610870
  H     17.29344984      4.49260003    -13.08200467
  H     18.23632537      8.21494936    -14.09795820
  O     17.68481657      7.42799885    -14.17959020
  H     17.77859091     10.83682426    -14.33247268
  H     17.09042430      7.52660554    -14.93793391
          69
 Energy    -249.61716356356123     
  O      9.91832435     11.18230446    -12.41649886
  H      9.99354869     10.22163260    -12.46389132
  H     13.44957022     12.15416936    -12.45982158
  O     14.05081418     10.30055328    -16.53077036
  H     10.29620298     11.51071808    -13.24206694
  H     17.06170866     10.25397321    -11.92267529
  O     12.39192279      9.08302777    -14.55845981
  H     13.45145095      9.77001474    -15.99124301
  H     17.00365527     11.63762165    -11.19574001
  O     16.32654761     11.15872519    -15.20731338
  H     13.53476601     11.05701650    -16.83351239
  H     18.04138458      8.88738447    -13.88229727
  O     12.29753296     10.51350804     -9.34996492
  H     13.18792518      8.79412096    -14.09120232
  H     16.99194271      9.98736613    -14.18306286
  O     15.17779609     13.76300770    -16.53994397
  H     11.65180440      8.77333348    -14.02048460
  H     12.73031936     13.85896973    -11.41155085
  O     14.53953818      7.12897047    -10.57298814
  H     16.08369785     11.95829688    -14.72257745
  H     11.75220051     13.63049978    -10.25558467
  O     14.00322427     10.73517962    -11.55905512
  H     15.53786220     10.84651582    -15.67614130
  H     14.32634833      9.29824956    -12.51312389
  O     11.81926062      8.00165115    -10.42639953
  H     12.91359553     10.80661131     -8.66694485
  H     15.53323318      8.66255276    -13.25525644
  O     15.02331289     13.39977381     -9.46266486
  H     11.61611729     11.18867705     -9.46580640
  H     17.66050043     14.10050922    -10.99357144
  O     10.39609150      8.37410957    -12.69391967
  H     15.34740884     13.91946046    -15.59872913
  H     16.27855710     13.51663403    -10.61305107
  O     13.16766582     12.93657240    -12.95925567
  H     15.80974599     13.08325858    -16.78236444
  H     11.71850533     12.13709202    -15.57041453
  O     16.79435475     10.69887028    -11.10837019
  H     14.84846728      6.22879041    -10.64347094
  H     11.77967371     10.84203532    -14.71417737
  O     17.27062725      9.32058676    -13.52723803
  H     14.59195846      7.51327837    -11.46378877
  H     14.95161426     10.44879743     -8.08487274
  O     12.56050736     14.09985370    -10.48997594
  H     13.43166929     10.65085861    -10.78500413
  H     14.62045260     11.17673605     -6.75921208
  O     14.62509442      8.49593213    -12.97485706
  H     14.91767584     10.82345065    -11.25964207
  H     14.75764352     13.41203499    -13.53116076
  O     16.98786001     13.49033499    -11.28358525
  H     11.90914183      8.84223891     -9.95499886
  H     16.19844369     13.61931936    -13.00803158
  O     11.41324178     11.73780760    -14.74641455
  H     12.69185512      7.59401829    -10.40003258
  H     13.51401958     13.21382032    -16.87057003
  O     14.44635926     11.18619996     -7.69644683
  H     14.86533404     12.70769501     -8.81296235
  H     12.32725640     13.15511046    -17.85678505
  O     15.67571272     13.54806393    -13.81373942
  H     14.15287523     13.70731506     -9.75814464
  H     15.35716959      8.47180086     -9.42894189
  O     12.66633755     12.77298171    -17.05135988
  H      9.69897291      7.72447649    -12.73035851
  H     16.28366650      9.68436167     -9.66503076
  O     15.78183738      9.21376533     -8.98390444
  H     10.89878632      8.20072440    -11.87770845
  H     10.15005341     11.97840086    -10.89230502
  O     10.32395313     12.36724981    -10.01575767
  H     12.51607993     12.62752655    -13.59917404
  H      9.47772025     12.61571275     -9.65404304
          69
 Energy    -249.61695445794311     
  O     13.22949157     10.00548302    -15.83526320
  H     13.88157974     10.69430239    -16.00216524
  H     16.64626572      4.88752023    -16.15473356
  O     17.16958416      6.24559589    -13.40339456
  H     13.59066731      9.20131512    -16.23553105
  H     20.76920389      8.43732176    -13.93136413
  O     18.41000033     10.28257742    -12.17631716
  H     17.88119775      6.56562853    -12.83671826
  H     20.24061268      7.30998173    -13.03885760
  O     19.01330201      9.32316611    -16.39122676
  H     17.01471501      6.93991368    -14.06295728
  H     17.76647801     10.02673633    -17.55147094
  O     13.56420891      5.34420811    -15.65499888
  H     17.68912184     10.44867228    -12.80071442
  H     16.41201542     10.76299727    -17.46874071
  O     16.76897615     10.00837425     -9.99315831
  H     17.99203940     10.30793402    -11.30328371
  H     15.95356188      8.07970282    -15.76053722
  O     15.14899975      6.82942782    -11.61406941
  H     19.47030308      9.75596411    -15.65965372
  H     17.44101135      8.58920656    -15.68896988
  O     16.16426452     10.54656342    -13.76979634
  H     19.46029372      8.47844541    -16.53931093
  H     12.57759609      9.62971913    -14.27539197
  O     17.64115204      5.70607507    -17.43109086
  H     13.03177118      4.61806544    -15.96782223
  H     11.35644562      9.69347945    -13.32884017
  O     16.98801552      7.16321170     -9.61245686
  H     14.47011471      5.00000120    -15.53985817
  H     13.07349015      6.17184227    -13.99683926
  O     20.13055723      6.76735472    -16.42397013
  H     16.86646191      9.10034487     -9.68101137
  H     12.59869012      7.47466945    -13.30159415
  O     16.11644841      4.58746102    -15.40114223
  H     15.92126488     10.02898259    -10.45643697
  H     20.98930535     11.02465206    -13.96617442
  O     20.71927117      7.47590752    -13.86024813
  H     15.82827091      6.57085437    -12.25363687
  H     19.72852772     10.37498562    -13.35346415
  O     16.94968043     10.20228375    -18.03987609
  H     14.29725337      6.63927092    -12.03393130
  H     18.43296580      7.32401737    -10.86222847
  O     16.68745520      8.28705868    -15.16706229
  H     16.31719148      9.71973836    -14.25535136
  H     18.76587944      8.45487854    -11.85610521
  O     12.25147911      9.37129368    -13.39499395
  H     15.55038872     10.32848928    -13.05529136
  H     16.16412858      7.73513601    -19.89574826
  O     12.90434422      6.57454702    -13.13655263
  H     18.47739540      6.05179819    -17.09754739
  H     16.48939321      8.65183808    -18.69264656
  O     20.36238570     10.31604331    -14.08842700
  H     17.25674295      6.39185153    -17.98885138
  H     14.77961533      8.64359585    -11.69622070
  O     18.94234364      7.52483576    -11.65681673
  H     16.26195088      6.98430456    -10.23516797
  H     13.68046571      9.59842071    -12.20628171
  O     16.24718436      7.74292874    -18.94595359
  H     16.85975841      6.58095359     -8.86814881
  H     15.74473612     11.44970080    -15.24750973
  O     14.53419489      9.57841752    -11.75503947
  H     20.90086772      6.35467161    -16.80710340
  H     15.47570285     12.73019379    -16.07003927
  O     15.47433409     11.77740962    -16.12216013
  H     20.32748043      6.89499532    -15.47926017
  H     14.12817427      6.86736037    -16.49191033
  O     14.47819028      7.71976154    -16.78310119
  H     16.53080545      4.97257121    -14.61866800
  H     14.95009572      7.59989757    -17.61661099
          69
 Energy    -249.61659770608759     
  O     -3.79422920      4.82157864     -2.50513605
  H     -3.04505365      4.75824703     -3.11172733
  H     -1.85808622      6.33918297     -0.86405860
  O      3.49965103      1.66132090      4.20352266
  H     -3.56965966      5.51438952     -1.87222075
  H      0.46187472      1.16497215      2.81376092
  O     -1.19913109      3.19318252     -0.31386401
  H      3.94365989      1.74537715      5.04258719
  H     -0.90939926      0.43145697      2.77737249
  O     -0.69895589      1.96072495     -3.57402093
  H      3.16632218      0.74737991      4.15068446
  H     -0.64654857      5.28670113     -2.51978788
  O      0.85808330     -0.67654704      0.34496451
  H     -1.22436979      3.32354123      0.64240088
  H     -0.65362251      4.66563855     -1.10847747
  O      1.34100967      2.78225507      2.77974563
  H     -2.07366083      2.89880752     -0.59610588
  H     -3.91967792      3.27949967     -1.65616543
  O     -1.38341453      4.53270031     -4.05258344
  H     -1.41222932      1.34536512     -3.36364570
  H     -4.27463073      2.47660056     -0.34986278
  O     -3.55128208      4.99148340      1.69053260
  H     -0.01372636      1.79883407     -2.91204598
  H     -2.18360981     -0.30944453     -0.96018681
  O      4.36184788      1.30791023      1.47345289
  H      0.56067697     -0.36240079      1.21196974
  H     -1.00582477     -0.72632902     -0.04936246
  O      2.45541944     -0.81522981      3.76792817
  H      1.75955157     -0.99258072      0.47870266
  H     -0.38342523      3.39619757      2.69015687
  O      2.18901882      5.67757902     -0.66282544
  H      2.05899782      2.54108891      3.37780721
  H     -1.73027163      2.63735640      2.46718315
  O     -2.72389022      6.62945204     -0.53430719
  H      1.74498965      2.94189654      1.91421854
  H     -3.45404501      1.46076074      1.99683156
  O      0.04297457      0.29198986      2.83516366
  H     -1.13036221      3.60147639     -3.91444750
  H     -2.41699598      0.50842781      1.34880934
  O     -0.43528661      5.47670176     -1.59669234
  H     -1.25446722      4.71523802     -4.97919471
  H     -3.26814279      1.08121634     -2.14250482
  O     -3.79245935      2.44173477     -1.18420555
  H     -2.72805587      4.65184847      2.07038091
  H     -3.54054396     -0.11044992     -3.09238685
  O     -1.94025318     -0.48404640     -0.04440557
  H     -3.29937812      5.57567966      0.96659863
  H     -5.75104650      2.68137081      1.76186397
  O     -1.31130389      3.51122225      2.44596991
  H      4.23493162      1.50654606      2.40882722
  H     -4.47676343      3.53060834      1.53143905
  O     -2.59403152      1.04964693      2.13637092
  H      3.85783835      1.97807363      0.99122583
  H      2.54281771      4.03090962     -0.00453913
  O     -2.84545714      0.35234708     -2.63121565
  H      1.53179697     -0.59905119      3.57867184
  H      2.06473703      2.58621059     -0.32798981
  O     -4.86940176      2.64792523      1.40088468
  H      2.82711813     -1.12787522      2.93366243
  H      0.09810452      2.10033582     -0.90230334
  O      2.57053996      3.11556888      0.30425696
  H      2.64295784      6.43018924     -1.03363000
  H      0.87931780      0.76074559     -0.78149269
  O      0.85041847      1.60143756     -1.25792590
  H      1.29059682      5.69750180     -1.02610753
  H      4.21437485     -1.80086892      0.80649192
  O      3.50421089     -1.24591366      1.11680460
  H     -2.69778048      7.58272725     -0.49601088
  H      3.86160300     -0.34167994      1.18048781
          69
 Energy    -249.61646022579799     
  O     16.89552948     10.31178014    -14.15746964
  H     17.51183264      9.63569741    -14.46305297
  H     15.45795600      3.53726123    -11.91635057
  O     15.41434317      4.56862272    -16.44253736
  H     16.94060840     10.34246865    -13.18914463
  H     14.43023145      4.52287431    -13.48167005
  O     12.54467900      7.56719113    -12.91935223
  H     15.65646010      3.96134529    -17.13685146
  H     15.46301791      4.28258672    -14.60596608
  O     13.48867597      5.81281014     -8.96642229
  H     15.85533136      5.41307783    -16.64378207
  H     13.07768764      7.91535346    -11.27492851
  O     12.68866604      5.39223650    -15.99249238
  H     11.86165627      8.08806549    -13.36277111
  H     13.57305887      9.17022683    -10.54492257
  O     14.74686455     11.27622193    -15.60803730
  H     13.38820257      7.82639812    -13.32143476
  H     15.55920668      7.56229097    -13.81043093
  O     16.55473617      6.97009909    -16.95491870
  H     13.36790494      6.67706761     -9.38198912
  H     15.46031997      9.08157799    -14.01517099
  O     13.82252146     10.94448099    -11.22039918
  H     13.02368245      5.16855823     -9.51429344
  H     19.31102929      7.83248696    -14.92944219
  O     16.12295698      5.18332032     -9.05118248
  H     12.54933577      5.10980754    -15.07943148
  H     17.96458427      7.42250445    -14.28684302
  O     14.37299530      8.71515219    -16.72727251
  H     13.57885560      5.10441862    -16.22569714
  H     11.61542899     10.00244061    -14.33823562
  O     12.57388402      3.68007959    -10.66451668
  H     14.60926933     10.51586046    -16.18804916
  H     11.25441218      8.84905847    -15.31895650
  O     15.23941841      3.27023287    -11.01412267
  H     15.59589442     11.12187620    -15.16910415
  H     13.48729361     11.43639343    -14.44489122
  O     15.36603614      4.33309030    -13.64647490
  H     17.22303659      7.36663498    -16.38507931
  H     12.29779647     12.28973778    -13.95634495
  O     13.51681746      8.21168445    -10.46271240
  H     15.84978017      7.62552972    -17.04967143
  H     12.48071786      4.42851621    -12.37924279
  O     14.94104756      8.26749499    -14.03878979
  H     13.60529001     11.72056332    -10.70771275
  H     12.55433585      5.81683593    -13.07449513
  O     18.37211172      7.99948702    -14.95653904
  H     13.44870740     11.08677229    -12.10379986
  H     11.11022015      7.62834702    -17.54764796
  O     11.04321058      9.23526191    -14.45879157
  H     16.47851068      4.95697273     -8.19597887
  H     12.03137006      6.90842956    -16.53622992
  O     12.77715651     11.48322330    -13.77975321
  H     15.17880615      5.39025828     -8.91960216
  H     16.47016383      5.69262591    -13.28993357
  O     12.66687493      4.86426102    -13.21880411
  H     14.52021316      8.48657358    -15.79591484
  H     16.76187642      6.83633027    -12.26062252
  O     11.73376965      7.78430480    -16.84322238
  H     13.46470972      8.45380247    -16.92121504
  H     15.70040725     10.49460974    -11.32196521
  O     16.94688187      6.52369111    -13.15789492
  H     12.11884123      2.90165725    -10.35385420
  H     16.62533670      9.28223317    -11.09658195
  O     16.60549299     10.18283219    -11.44413614
  H     13.51335671      3.43843011    -10.76071613
  H     15.28348083      7.70142153    -10.62203668
  O     16.22078795      7.46449774    -10.67157293
  H     15.69756721      3.87522133    -10.41797276
  H     16.34504966      6.72359909    -10.06549508
          69
 Energy    -249.61636105112038     
  O     -3.05972071      0.38043726      1.48822463
  H     -3.84924992      0.37794666      2.04445932
  H      2.44942083     -1.95445796      3.10373069
  O     -4.23797017     -1.03874497      5.54283401
  H     -2.31395478      0.38484894      2.10545291
  H     -1.28101577     -2.73630535      1.74037315
  O     -0.84061528      0.11043736      3.17792167
  H     -4.54338561     -1.95415942      5.54920706
  H     -0.72137219     -1.62506247      0.78940542
  O      1.16772181     -2.34171652      5.97797195
  H     -3.27885008     -1.06902111      5.65704720
  H     -3.43404920     -3.54458605      2.11721548
  O     -4.92494767     -3.81164643      5.12023324
  H     -0.02309317      0.60613293      3.05213333
  H     -2.38214658     -4.03995315      3.13036496
  O     -1.42640748     -1.35280986      5.45594042
  H     -0.71276301     -0.72650558      2.70054828
  H      2.32077926     -2.89602157      0.79802341
  O      0.29508038     -4.95990282      5.13541828
  H      1.65924082     -1.95852489      5.22936536
  H      1.08116937     -2.74648680      1.70191067
  O     -1.15245002     -0.25667072     -0.50514404
  H      1.72159526     -2.24301067      6.74815955
  H     -5.22153256     -3.24696432      3.31247500
  O      1.43834242     -5.57980423      2.59923122
  H     -3.97015290     -4.00135073      5.11070653
  H     -5.23874386     -1.85027321      2.67442079
  O     -0.02001309     -3.60739229     -1.37784860
  H     -5.33319901     -4.48503609      5.65793446
  H      2.93966117     -2.62279421     -1.72551645
  O     -0.70253074     -5.40785620      0.63474013
  H     -0.56001283     -1.64581656      5.76656156
  H      1.50618206     -2.83976968     -1.18388321
  O      2.46960613     -1.32916010      3.84058467
  H     -1.25663875     -0.75817545      4.71117429
  H      1.70538968      0.77097219      1.58862593
  O     -0.56755322     -2.09604783      1.61751536
  H      0.70899753     -5.21177635      4.30053708
  H      2.15504869      1.93096785      2.50660093
  O     -2.55375484     -3.93061966      2.18454262
  H      0.70354751     -4.13055679      5.41416661
  H      0.62175980      0.14309759     -0.28689359
  O      1.99923099     -3.06364567      1.69181022
  H     -1.57490669     -0.82691817     -1.15995459
  H      1.93667774     -0.64750791     -0.38426416
  O     -5.16230345     -2.79074662      2.46374948
  H     -1.84894144      0.12227157      0.04698017
  H     -3.13612549     -2.18209140     -1.33354199
  O      2.36344806     -2.41250252     -0.99638981
  H      2.16557037     -6.18269644      2.46332311
  H     -2.91870107     -2.25225582     -2.86228547
  O      1.71747619      1.08414434      2.51153669
  H      1.73029900     -4.71064905      2.27545300
  H     -4.85845806     -0.30093348      4.09746742
  O      1.55480887      0.16408433     -0.03082110
  H     -0.85246777     -3.22123524     -1.66916416
  H     -6.00120256      0.48322689      3.40706601
  O     -2.45583687     -2.23112378     -2.02884553
  H     -0.24479558     -4.28011135     -0.71782033
  H     -1.99476612     -3.05272379      5.09191684
  O     -5.22048340     -0.03587953      3.23272870
  H     -0.02711438     -5.59674775      1.29570432
  H     -1.39882072     -4.48236602      5.05656430
  O     -2.21883685     -3.98129869      4.93733204
  H     -1.44902713     -5.03729830      1.12356593
  H     -3.80391850     -1.04663860      0.48046642
  O     -4.18724040     -1.79605689      0.00518786
  H      2.28740165     -0.46393166      3.45571295
  H     -4.69208683     -2.28281060      0.66562510
          69
 Ord_Energy   -249.615448    
 O   -2.86200976       4.74132824       2.77373028    
 H   -1.93640971       4.87952232       2.54302859    
 H   -3.31982732       5.56933594       2.54806042    
 O   -8.19466305       3.12758565       2.57552624    
 H   -8.33907890       3.48546982       3.45972180    
 H   -7.47663021       2.48833084       2.66984200    
 O   -5.79783249       2.80122209       5.40490770    
 H   -5.10566473       3.47371602       5.45934534    
 H   -5.67946482       2.34338212       4.56334591    
 O   -8.19263840       4.06248856       5.29476595    
 H   -7.36861324       3.55635953       5.42105627    
 H   -8.77004719       3.83599758       6.01870155    
 O   -5.21972990       8.63622665      -1.06707692    
 H   -5.82883644       9.01111126     -0.418246448    
 H   -5.55116463       7.75397015      -1.27130210    
 O   -6.87696934       4.64197111      0.733388603    
 H   -6.01793003       4.21289349      0.847225547    
 H   -7.49645758       4.14749670       1.29035985    
 O   -1.07731295       8.01728058       3.41492343    
 H   -1.55530441       7.74038506       4.20737076    
 H  -0.773118258       7.21748257       2.97265506    
 O   -4.03290749       5.00696564       5.23560381    
 H   -3.53772354       5.76188707       5.57735300    
 H   -3.59297061       4.77520704       4.40482044    
 O   -6.84330988       7.02499485       2.13305974    
 H   -6.94035625       6.19735050       1.64380753    
 H   -6.79713964       6.80346584       3.07419491    
 O   -6.52423286       6.26300192       4.74779415    
 H   -5.67285919       5.82644701       4.89297104    
 H   -7.20356035       5.62157679       4.98846483    
 O   -4.44478893       3.26205182       1.06967115    
 H   -3.85385799       3.70597005       1.69448090    
 H   -4.16885471       3.53968644      0.183949813    
 O   -2.63935041       7.41259623       5.75986624    
 H   -3.45913506       7.91508865       5.59379244    
 H   -2.28469920       7.73887014       6.58318710    
 O   -2.21283793       6.59708023     -0.168813273    
 H   -2.15905643       7.46965790     -0.577705503    
 H   -2.93689203       6.66613817      0.473504215    
 O   -3.78029513       4.51401234      -1.27975690    
 H   -4.56498146       5.00974274      -1.54267418    
 H   -3.12584019       5.18044424      -1.03286958    
 O   -6.23965979       5.99348021      -1.58644474    
 H   -6.86692572       5.82307768      -2.28590631    
 H   -6.56773186       5.52261877     -0.802651227    
 O   -2.59171033       9.25535011     -0.918657541    
 H   -3.54555702       9.07107162      -1.01032782    
 H   -2.37151265       9.90506554      -1.58000493    
 O   -7.00187874       9.47675514      0.974257290    
 H   -7.89508867       9.81080627      0.947689176    
 H   -7.04012680       8.60787868       1.41176629    
 O  -0.438065737       5.71278906       1.75845695    
 H  -0.955709696       6.01960039      0.994588196    
 H   0.404161662       5.41865492       1.42153549    
 O   -4.99445820       8.61808777       5.28582478    
 H   -5.67799807       7.94689131       5.18224430    
 H   -5.11758566       9.25836182       4.56969738    
 O   -4.05405283       7.00932980       1.87287259    
 H   -3.69978595       7.89837885       2.00723267    
 H   -5.01336288       7.06756353       1.93269789    
 O   -5.76827431       1.58768642       2.80092072    
 H   -5.61943293      0.667792261       2.59532881    
 H   -5.27291822       2.10198927       2.14219189    
 O   -5.20692253       10.2929754       3.09523034    
 H   -5.83415318       10.1558084       2.37791800    
 H   -4.32958889       10.1854429       2.70010829    
 O   -2.80924726       9.52164650       1.92936862    
 H   -2.58677101       9.53065109      0.991959810    
 H   -2.08274293       9.10942745       2.42272449    
          69
 Energy    -249.61513660537736     
  O     12.11928639     10.76038928    -14.81945739
  H     12.82209655     11.39460229    -14.99272684
  H     18.61839411      8.99827190    -14.54924209
  O     15.93639744      6.36749940    -13.09190064
  H     12.34924983      9.96947227    -15.33078276
  H     16.74537706     11.65366546    -17.81110936
  O     17.94441968     10.86704280    -12.10249871
  H     15.35993847      6.53979007    -12.33408979
  H     16.68160913     10.50778123    -16.77924886
  O     12.40428337      5.87142547    -15.33470149
  H     16.85086428      6.41320955    -12.78531481
  H     14.46547868      8.61685240    -14.88593849
  O     15.16080838      9.73269523     -8.67162549
  H     17.03886030     11.05977233    -12.37702428
  H     15.46257485      7.91461277    -13.89860680
  O     14.20852366      7.13067082    -11.07639700
  H     17.90699434     10.70259502    -11.15263136
  H     10.41893886      9.97960410    -12.28894142
  O     15.28116339     11.11641824    -12.99956191
  H     12.26085549      6.19897522    -14.42754712
  H     11.56816072     10.11173793    -13.31651205
  O     16.61851403      6.84467822    -17.55033031
  H     11.68422825      5.27815069    -15.52960526
  H     17.96094958      8.38614695     -9.56320721
  O     15.43635872      6.86206009     -8.58660490
  H     14.57317102      9.87932641     -9.42587383
  H     18.14753454      7.17372918    -10.50961042
  O     17.38341450      9.07077262    -16.01853494
  H     15.14435193      8.78311544     -8.50130044
  H     11.71366415      7.82637391    -12.77900755
  O     15.21817466      5.51935567    -15.64985746
  H     14.54142748      6.91723560    -10.19616229
  H     12.74926477      6.84284475    -12.20726694
  O     19.01450865      8.89152413    -13.67813625
  H     14.09756352      8.09207475    -11.10175703
  H     19.32503699      6.06535841    -12.39336906
  O     16.15432444     11.19960829    -17.21462600
  H     15.28463747     10.24604405    -13.43220314
  H     18.78926561      7.46783254    -12.77121732
  O     15.24713967      8.74949605    -14.33436713
  H     15.00509896     11.73805083    -13.68055804
  H     18.16466321     10.78021200     -8.64727099
  O     11.29998979      9.67448613    -12.48817367
  H     17.03995498      6.20097486    -18.11295968
  H     16.81766065     10.15125003     -9.07058172
  O     17.86050097      7.42755640     -9.62442729
  H     16.11651828      6.34388044    -16.88162919
  H     15.13125582      9.68149290    -18.02725106
  O     12.05690947      6.93000768    -12.87514597
  H     15.50667658      6.24837313     -7.86126524
  H     15.35701001      8.15690335    -18.11368365
  O     18.59348451      6.66160098    -12.25861228
  H     16.33829335      6.99646254     -8.93317205
  H     12.83050855      9.87137040    -11.45141109
  O     17.75073670     10.25544389     -9.32765784
  H     16.66599346      8.98555858    -15.36944493
  H     14.26529385     10.41205672    -11.67340803
  O     14.69347194      8.84899192    -18.23662433
  H     17.30734707      8.29391986    -16.58721508
  H     14.99722597     12.01900719    -16.02801865
  O     13.71607122      9.89412237    -11.06813330
  H     14.25484412      5.53554646    -15.60563709
  H     14.34990766     13.35878165    -15.62253457
  O     14.41962491     12.43995031    -15.37286034
  H     15.52180824      5.67840923    -14.74530089
  H     12.76053078      7.58356898    -15.95613538
  O     13.05338439      8.49546396    -16.06743216
  H     18.70665098      9.63688883    -13.13814344
  H     13.52682540      8.57070143    -16.90861743
          69
 Energy    -249.61508120853205     
  O      1.22971735      1.91524307      6.84091228
  H      0.41089166      2.33838337      7.12811869
  H      0.21622002      5.10408920      6.25309498
  O     -1.05939391      4.13853300      5.09906669
  H      1.97417425      2.37448556      7.24780228
  H      4.49215497     -0.26150254      8.07254051
  O     -1.29855680      2.94734774      7.58515294
  H     -0.69566045      4.71908995      4.41459195
  H      3.38788480     -0.60024494      9.10900820
  O      3.52913964      3.13493947      7.83438994
  H     -1.19479618      3.28293928      4.67347512
  H      8.09719819      2.39313106      5.70996189
  O      5.02189084      3.47612187      2.20458007
  H     -1.01653928      3.53489926      8.29761446
  H      6.76663056      3.08009004      5.31489545
  O      2.48911159      3.90818744      3.29452711
  H     -1.36775260      3.47969046      6.77829141
  H      1.38041609      1.71394231      5.10896816
  O     -0.02732214      4.62091995      9.42141703
  H      4.12711764      2.43025356      7.55049136
  H      0.47310742      1.40089154      3.90752798
  O      5.76088156      1.10641906      3.28936785
  H      3.54077478      3.81942494      7.15159996
  H     -2.10733705      1.25377762      3.42312081
  O     -1.81372345      0.41061396      6.49405913
  H      5.27873550      2.58995211      2.51714589
  H     -1.59308005      1.02930754      4.86517798
  O      0.32112788      5.64355356      3.25686696
  H      5.39904875      3.58296354      1.33567128
  H      2.83184448      0.41403776      4.41420339
  O      2.77108314     -2.16991389      6.40777872
  H      3.31635754      3.76439083      2.81854509
  H      3.31411831     -0.86617059      5.15563795
  O      0.85236007      5.54238333      6.83047978
  H      2.12109332      3.04149014      3.51716210
  H      4.53421964      0.70183611      6.10421787
  O      4.02501179     -0.99252827      8.50112362
  H      0.66428713      4.00330351      9.72029909
  H      5.86118948      1.39783862      6.50757462
  O      7.17661258      2.22284686      5.53176689
  H     -0.24716662      5.17119097     10.16794443
  H      2.49898363      5.30940265      6.17670267
  O      1.39745615      1.51004373      4.15933276
  H      6.35165620      1.35440287      4.01134715
  H      3.03396280      4.59462103      4.91774890
  O     -1.40412527      1.48343202      4.02466292
  H      5.05068788      0.58516841      3.68680073
  H      0.87912126      0.22330051      7.22788110
  O      3.61811559     -0.07196338      4.69963018
  H     -1.79620329      1.22920973      7.01068519
  H      1.23094521     -1.27937629      7.06927120
  O      5.03745978      1.03769466      6.85959091
  H     -1.11446429     -0.14515906      6.85932426
  H      5.09618741      4.79042189      5.19914334
  O      3.30870554      4.97168937      5.76468843
  H      0.64667417      6.52674270      3.41925055
  H      5.65119231      4.29831641      3.84644186
  O      0.62353612     -0.67165071      7.50725471
  H      1.10777836      5.08095639      3.17652547
  H      2.60983488      3.03783019      9.40440771
  O      5.90069785      4.48477621      4.75996824
  H      3.26753860     -1.83893450      7.17917751
  H      1.83622544      1.90549753     10.10849518
  O      1.92294741      2.86441997     10.06503118
  H      2.93868193     -3.10677459      6.35100726
  H      1.23862979     -0.28807592      9.18255711
  O      1.72755738     -0.01424906      9.97539106
  H      0.58568198      5.33205205      7.73303116
  H      1.37586701     -0.52555601     10.70112254
          69
 Energy    -249.61484949657284     
  O     11.90523184      9.68288876    -10.55875824
  H     11.77023373      9.12529626    -11.33480485
  H     14.47518188     15.50901031     -8.08105332
  O      8.54892492      9.65120485    -12.22876095
  H     11.27875109     10.41106365    -10.65069785
  H     10.18629458     12.56998682     -9.78078494
  O     14.28103276     10.68432292     -9.67484968
  H      8.53176832      9.23289005    -11.34682253
  H     11.16586539     12.71596914     -8.58057411
  O     14.99127236      8.10390400     -8.80446370
  H      7.66944338      9.57949868    -12.58808217
  H     12.14155895      8.87633665     -7.49800970
  O     12.17271369     15.37334279    -12.34351338
  H     13.47513151     10.33800405    -10.09414446
  H     12.06478370      8.74061948     -9.04434857
  O      8.67252594      8.55122642     -9.78443854
  H     14.74797106      9.91597725     -9.32808214
  H     12.25000935     11.07884732     -6.83973418
  O     12.22440015     12.63898161    -12.97716724
  H     14.05906470      8.03437472     -8.53963238
  H     11.90902727     10.51434379     -5.44230367
  O     14.65272454     14.61909973    -11.11232806
  H     15.49041851      7.54954461     -8.21043154
  H     14.71996693     11.57684155    -11.16929946
  O     10.50603314      6.37821038     -9.19827557
  H     11.79853109     15.41410692    -11.44510876
  H     15.01595541     11.23314172    -12.64073229
  O     11.35325714     15.40284156     -9.75252226
  H     11.89630937     16.16689234    -12.79359741
  H     11.47013665      9.01519772    -13.55990977
  O     14.60533610      7.70056074    -11.65250499
  H      9.21145596      7.77221091     -9.61258352
  H     10.11808981      8.78634075    -12.81596951
  O     13.90615368     14.88138871     -8.51838917
  H      8.86190345      9.18688895     -9.07822794
  H     10.83432659     12.03413674    -11.98947642
  O     10.27786386     12.94214488     -8.88840973
  H     12.14827709     13.59752341    -12.89013901
  H      9.56432540     11.13377706    -11.74942744
  O     12.27682825      8.25866019     -8.22738953
  H     13.09996118     12.40401063    -12.63830109
  H      9.46525284     11.35346324     -8.17008662
  O     11.86460946     10.31722627     -6.37452460
  H     14.86072472     13.75437247    -11.48949888
  H     10.09499233     10.31205023     -7.24901045
  O     14.79877866     11.96699086    -12.05199382
  H     13.91149471     14.96180970    -11.62714006
  H     12.29904526     11.09995605    -14.10350156
  O     11.00904843      8.43729903    -12.93341764
  H     11.13859799      6.94578144     -8.72860234
  H     13.36487236      9.99201282    -14.23317137
  O     10.19011164     11.73789382    -11.33063607
  H     10.30672102      5.64832814     -8.61641296
  H     14.92058875      8.90385000    -12.86393574
  O      9.36235560     10.44509086     -7.85879324
  H     10.81629543     14.66288906     -9.43962259
  H     15.76034530      9.25024523    -14.11395423
  O     12.44712923     10.20807997    -14.44228700
  H     12.16909474     15.36468649     -9.23914302
  H     11.60332816      6.23301658    -10.82503489
  O     15.09156855      9.59562255    -13.52842347
  H     14.85603931      7.78331550    -10.72762951
  H     11.70898126      6.94683399    -12.18346035
  O     12.18692560      6.35722423    -11.58023756
  H     13.80734086      7.15084377    -11.66167452
  H     13.26471821     13.22789822     -8.00812905
  O     12.91028778     12.33268512     -7.93508649
  H     14.24747215     14.77836457     -9.42548964
  H     13.43789129     11.78108538     -8.53114133
          69
 Energy    -249.61476751362636     
  O     10.18050746     10.18229543    -11.27921310
  H      9.37032426     10.01879985    -10.80386322
  H     12.47849420     11.78746510     -9.58044151
  O     14.54881553     10.70347709    -12.56837602
  H     10.84716058     10.44247737    -10.61824085
  H     10.17934688     10.70912725    -18.24014873
  O     16.93464106     13.58602435    -13.68968212
  H     15.43826968     10.97832412    -12.31093806
  H     10.53604120     11.64893420    -17.06219242
  O     15.99472754      7.86713741    -13.69047500
  H     14.37396578      9.84998312    -12.15273853
  H     14.67805994     13.16669322    -15.45404123
  O     10.80737155     11.79236828    -13.49517870
  H     17.35641086     13.08226286    -14.39638086
  H     13.71822704     14.37514147    -15.47157163
  O     12.35157430     14.75525505    -16.69328870
  H     16.08821747     13.88049903    -14.04832859
  H     18.07839162     10.93634510    -14.95116182
  O     15.28114722     11.75854717    -16.48471087
  H     15.42136872      8.28957054    -14.34519135
  H     18.78970254     11.68795821    -16.09612217
  O     14.39367340      9.26442940     -9.11416931
  H     16.78202344      8.42106666    -13.65187980
  H     13.30274705     13.36829448    -10.91421992
  O     13.15710609     13.00658935    -12.64370986
  H     10.47312320     11.29249798    -12.73989054
  H     13.23448153     14.28588868     -9.67121750
  O     14.29736071      9.63025022    -15.09750473
  H     11.58174236     12.28108588    -13.18372979
  H     15.35545362     10.91619422     -9.29943716
  O     18.22137052      9.76667484    -13.52778830
  H     12.23397718     15.52552281    -17.24291954
  H     15.01154584     12.39163115     -9.57978958
  O     12.09748542     10.90303670     -9.52098060
  H     12.63199463     14.02961932    -17.28184041
  H     11.28099645      9.90170191    -16.05763201
  O     10.85751578     10.89970102    -17.59736556
  H     16.23221111     11.73630182    -16.33237633
  H     11.30553598     10.38799451    -14.59294183
  O     14.38811773     13.93227461    -14.93647516
  H     14.92381920     10.95448261    -16.07715943
  H     13.93313327     12.23920715    -17.68590971
  O     17.97539302     11.65043713    -15.59930105
  H     14.54379939      8.62377168     -8.42358243
  H     12.45711660     11.90222258    -18.02871198
  O     13.41176826     13.39069505     -9.94830872
  H     14.36483294      8.77023793     -9.95169805
  H     11.14350510      8.79779250    -12.17639577
  O     15.74962552     11.77581182     -9.49403516
  H     13.54762047     13.44621738    -13.41011026
  H     11.62818965      8.50378328    -13.60427280
  O     11.53708019      9.64134677    -15.16470784
  H     13.60078021     12.14451943    -12.57596027
  H     17.05645835     12.38942395    -12.35510105
  O     13.13632871     12.58245640    -18.11273053
  H     13.34220344      9.53735687    -15.21039574
  H     16.75411504     11.71109634    -10.95613151
  O     11.72182572      8.21811870    -12.68746679
  H     14.42190144     10.05028238    -14.23233792
  H     10.85368930     13.67231299    -16.10109513
  O     17.10153165     11.56410023    -11.84793855
  H     19.01541407      9.38095041    -13.16502525
  H     10.30277628     12.65563208    -15.06627364
  O     10.20023468     12.97418553    -15.97370296
  H     17.86937277     10.36963666    -12.84807583
  H     13.33040386      8.02991985    -11.95714170
  O     14.21759351      8.12010329    -11.57439818
  H     12.82968324     10.31053524     -9.31211222
  H     14.86783451      7.87154040    -12.24694548
          69
 Energy    -249.61377319937355     
  O     19.40657403      7.51978425    -12.95946917
  H     19.33760150      8.16413779    -13.67349523
  H     11.94364084      8.71828043    -10.92452208
  O     13.57822447      9.46783602    -13.54105852
  H     19.01726413      7.95269159    -12.18900197
  H     15.19074782      8.68727676    -13.23768730
  O     10.38493066      7.68476827    -10.99536462
  H     13.26610525      8.71943231    -14.07243193
  H     16.33125156      7.99733640    -14.03812737
  O     16.81852781      7.67532850    -15.79668241
  H     13.79442804     10.18295171    -14.15162461
  H     17.28833536      5.19184518    -12.70669909
  O     16.71424573      4.85922163    -15.69563703
  H      9.57590278      7.77062393    -10.49803869
  H     18.56474483      5.90883574    -13.21796827
  O     14.90516193     10.45361113     -9.63135707
  H     10.80129708      6.84928631    -10.71477836
  H     14.26029422     12.12986950    -15.78870227
  O     11.75793360      5.42215089    -10.39618505
  H     16.80145718      6.71448490    -15.87194413
  H     15.39764804     11.33986347    -15.09558212
  O     18.83904355      9.36698902    -15.12221825
  H     16.03965222      8.03129074    -16.25209534
  H     17.63268214     10.73265822    -14.53970728
  O     10.58297505      6.62004180    -13.67235157
  H     17.11812993      4.20827388    -16.26255717
  H     16.93132694     11.42197272    -13.34339871
  O     11.94813294      4.17295097    -12.98085041
  H     17.24218839      4.88917715    -14.87471718
  H     11.95934607      7.13125712    -14.69818315
  O     14.26695615      4.97221415    -14.26434923
  H     15.42412270     10.90154217    -10.30849564
  H     13.37270252      6.51689631    -14.84926110
  O     12.85014968      9.04872645    -10.93861894
  H     14.11589273     10.09770879    -10.06326622
  H     13.83281351      8.23070129    -16.36660463
  O     16.00141386      8.17128097    -13.14756332
  H     12.62452059      5.73686471    -10.10559559
  H     14.47376880      9.63264331    -16.48903191
  O     17.99963701      5.13489761    -13.35643496
  H     11.89789721      4.91714522    -11.20654191
  H     17.55883204     12.05927320    -11.02914655
  O     14.50191349     11.26407662    -15.47183361
  H     18.16850452      8.74913704    -15.46304628
  H     17.34648837     10.55086880    -11.28965426
  O     16.93392042     11.35528293    -14.30603992
  H     19.45604467      9.52035265    -15.83406930
  H     15.09461526      5.94010705    -11.18468016
  O     12.84138809      7.29389267    -15.06444830
  H     10.42883131      7.07413682    -12.83556100
  H     15.74979060      6.58853122    -12.41502396
  O     14.52966653      8.72685110    -16.81792426
  H     10.89596294      5.73737004    -13.43678353
  H     17.31822840      8.50531953    -10.26596743
  O     16.97199926     11.43394510    -11.44953711
  H     11.70570752      3.27353816    -13.18891891
  H     17.11062621      8.56798169    -11.81108689
  O     15.57945966      5.73173603    -11.99174716
  H     12.75261081      4.36630288    -13.48828768
  H     15.76814209      9.10976111     -8.93215270
  O     17.71326288      8.81438781    -11.08976930
  H     14.68613932      5.17880979    -13.41356997
  H     16.53049947      8.39155117     -7.78890722
  O     16.25399637      8.29745454     -8.69650955
  H     14.99087856      4.82242590    -14.88286287
  H     14.88079630      7.16375240     -9.33704782
  O     14.16009915      6.80265307     -9.86653853
  H     13.06160851      9.24996068    -11.86236170
  H     13.71592999      7.56657419    -10.26435470
          69
 Energy    -249.61374902562653     
  O     10.80951903      7.40767347    -14.17671960
  H     11.32228866      8.18658609    -13.93440143
  H     14.20579413      5.07446788    -10.38177205
  O     11.62091422      4.26400748     -9.57290522
  H     11.37535208      6.89372264    -14.76499529
  H     16.68387351      6.85856279    -12.80465112
  O     17.26244261      8.24296311    -11.76782554
  H     12.55823879      4.38882006     -9.37695370
  H     16.74400405      5.47788401    -13.55619403
  O     17.63123071      3.89060543    -13.71778514
  H     11.20557133      5.12902593     -9.46592449
  H     14.72192021      5.88965086    -12.44294967
  O     15.92726763      6.89340280     -8.63374352
  H     16.52052868      8.48677151    -11.19470037
  H     13.40423511      5.09802432    -12.59137155
  O     14.55569824     11.16105140    -12.21395703
  H     17.19141417      8.81744698    -12.54417751
  H      9.94965379      5.05105896    -12.23016058
  O     10.38660562      6.84018339     -9.70284607
  H     17.91810258      3.87153079    -12.78571738
  H      9.99718704      6.46567993    -12.87368141
  O     14.53175258      7.84427412    -14.88295069
  H     18.36555202      3.58531244    -14.24269501
  H     15.88996636     10.40000069    -13.38488511
  O     15.13643606      2.62073569    -13.03206210
  H     15.65120220      7.74104997     -9.00297028
  H     15.86477990      9.27029898    -14.42856192
  O     18.17064834      3.92719710    -11.08569586
  H     16.82301898      6.74219543     -8.95876487
  H     11.90972958      7.61668317    -10.39131737
  O     15.81535844      2.58713899    -10.22198787
  H     13.85488393     10.61046612    -12.60425068
  H     13.05821372      7.08123240    -11.29534606
  O     14.38734236      4.77431801     -9.47778215
  H     14.23367600     12.05877650    -12.21923589
  H     19.28069105      6.88296450     -9.63788390
  O     16.19305496      6.24711161    -13.36950353
  H      9.65312422      7.19630570     -9.20982534
  H     18.15057642      7.17871498    -10.64859362
  O     13.87582407      5.70706767    -12.01203601
  H     10.03906682      6.56621272    -10.57312888
  H     14.99930647      9.94459268    -10.75285686
  O      9.64655892      5.95895316    -12.12587041
  H     15.15683328      7.27523376    -14.40928394
  H     14.22958250      8.67107945    -10.37224631
  O     16.45953395      9.80258274    -13.88671963
  H     13.91454618      7.23711085    -15.30890477
  H     10.23427274      2.54651216    -11.83628642
  O     12.70114443      7.87918250    -10.87461190
  H     15.30263430      2.51778747    -12.08726784
  H     11.11330345      3.58369085    -11.10028561
  O     18.45511869      6.54475729     -9.97753106
  H     15.95749309      2.97048175    -13.39790969
  H     13.40245924      8.80635355    -13.80082795
  O     15.08175108      9.11970003    -10.25974703
  H     18.26427688      4.77699464    -10.63875735
  H     12.68484841      8.82402153    -12.41188550
  O     10.80305161      3.29872048    -11.97868390
  H     17.42577859      3.46662078    -10.67817429
  H     12.47557984      5.47129501    -16.56031962
  O     12.79636117      9.31457899    -13.24081658
  H     15.29141279      3.32975228     -9.87585818
  H     12.73189654      5.10472749    -15.08198951
  O     12.67156472      5.84798238    -15.70583759
  H     15.71024357      1.86593069     -9.60674198
  H     12.08942613      3.56222045    -13.25132167
  O     12.81757374      3.85940711    -13.81320671
  H     14.88308525      5.48619242     -9.04936005
  H     13.60556469      3.33540835    -13.59751859
          69
 Energy    -249.61367259939328     
  O     -0.00214994     -0.62601167      2.73147843
  H     -0.94366372     -0.83299191      2.85478999
  H     -3.36680238      2.21045733      2.83238313
  O     -0.15369716     -1.83694067      6.97280996
  H      0.01904945      0.22833164      2.28378429
  H     -2.21874160      3.76024930      3.66284368
  O     -6.01116957     -2.01789199      2.05316838
  H      0.35111364     -2.26439705      7.65922142
  H     -2.09486209      4.97753136      4.60474632
  O     -5.12397595     -0.50242126     -0.26154921
  H     -0.28737812     -2.49631628      6.26750719
  H     -2.09133480      2.55339183      5.63129935
  O     -2.53647459     -1.34053518      0.11638540
  H     -5.78760813     -1.46779361      1.29360677
  H     -1.32116073      1.21914040      5.72466868
  O     -0.31382765      1.94176675      1.65384386
  H     -5.49978432     -2.82976516      1.96225217
  H     -1.92618451     -1.18887441      7.22312470
  O     -1.07038485      0.90636813     -0.75993516
  H     -4.22905011     -0.87975261     -0.22056776
  H     -2.69593089      0.11334701      6.93702838
  O      0.44903349     -3.30474625      2.31888349
  H     -5.50343623     -0.78508587     -1.09118201
  H      0.00574768      3.40902775      4.24475258
  O     -0.61883271     -3.57568169      4.96775292
  H     -1.95535348     -0.64548301     -0.21547620
  H      0.77301728      2.11396659      4.57073094
  O     -3.31383342     -3.39790910      4.34824130
  H     -2.59350239     -1.24148365      1.08106242
  H     -3.16456206     -0.37508021      3.20438215
  O     -4.39728560     -4.43409019      1.99514087
  H     -1.21951346      2.22233411      1.85197598
  H     -2.89521913     -1.90128486      3.37653480
  O     -2.89211997      2.83898274      2.26544944
  H      0.23586516      2.32608704      2.35155751
  H     -4.31157694      1.28828447     -0.21679834
  O     -1.80992622      4.07474096      4.48687164
  H     -0.69268140      1.31170626      0.03897996
  H     -2.87293445      1.69786237     -0.57972567
  O     -2.16433502      1.64369937      5.94307907
  H     -0.47806442      1.11394334     -1.47821579
  H     -4.15634074     -1.78193118      6.74695454
  O     -2.80932399     -0.79966695      7.22826261
  H      1.33697184     -3.51084197      2.03643962
  H     -5.32525456     -2.69974391      7.17805083
  O      0.77676210      2.88619445      3.99045189
  H      0.40278920     -2.33788728      2.40922896
  H     -5.78213204     -1.24426080      5.14949916
  O     -2.65324268     -1.12068848      2.86347726
  H     -1.57020397     -3.60841006      4.79122142
  H     -6.13180305     -1.13995365      3.64100050
  O     -3.70694249      2.03987352     -0.23677151
  H     -0.18823982     -3.59761010      4.10656619
  H     -1.14281915     -3.86175718      1.35779876
  O     -4.86681267     -2.36025974      6.41426877
  H     -3.93450200     -3.13260181      5.03947665
  H     -2.11539866     -3.11858625      0.42601424
  O     -6.06256400     -0.62961243      4.46244130
  H     -3.79769363     -3.85715795      3.65044197
  H      0.24286500     -0.01256982      4.45478032
  O     -1.96511680     -3.96726891      0.86574812
  H     -4.73866281     -5.28294932      1.72653699
  H      0.24936423     -0.32123557      5.96876285
  O      0.26661839      0.40127871      5.32864015
  H     -3.52920698     -4.33214473      1.56585725
  H     -3.47313715      1.17050738      4.73779574
  O     -3.99738532      1.01974219      3.94058718
  H     -3.25243000      2.72660649      1.37525326
  H     -4.80575416      0.53761836      4.17214633
          69
 Energy    -249.61346569693279     
  O     17.68572437      9.22960074    -13.07619591
  H     18.19764792      8.65578378    -13.67236891
  H     15.55531847      7.40434578    -16.01487079
  O     16.93646831      1.88159688    -12.99855577
  H     18.11235007     10.08266179    -13.08683235
  H     18.62524671      1.90930058    -12.73375768
  O     20.85314719      5.86705063    -13.69446950
  H     16.76946350      2.20677850    -13.89382052
  H     19.85761792      1.29902356    -12.02474457
  O     14.34177238      4.43692272    -16.31576102
  H     16.31005570      2.32858320    -12.41707258
  H     13.40630426      7.32644915     -9.41560761
  O     19.05450153      4.04273229    -16.79072264
  H     20.38733118      5.59674205    -12.88965217
  H     12.90954602      5.91552890     -9.77500955
  O     13.43683858      4.11475198     -9.35049821
  H     21.01335587      5.04269727    -14.16726608
  H     19.33231438      3.77069404    -11.86344585
  O     16.22552771      7.85324597    -11.10336142
  H     13.64202632      4.34010292    -16.95441221
  H     18.53894993      4.86999307    -11.07237857
  O     17.04160817      5.32406506    -10.21220249
  H     14.79561186      5.27889525    -16.51471715
  H     15.54808372      5.29673193    -13.64764374
  O     18.48742799      6.63301697    -17.35473361
  H     18.23851089      3.62960316    -16.47628028
  H     14.34012383      4.80620571    -14.48479271
  O     17.34405290      5.39859152    -13.78170747
  H     19.73929869      3.75860825    -16.17459576
  H     19.70921876      7.00339871    -14.42533517
  O     20.90800222      3.18597932    -14.78195970
  H     12.86774127      3.38131730     -9.13035776
  H     18.85705337      7.33517769    -15.69695894
  O     15.68330227      6.71976384    -16.68861928
  H     14.00675326      3.81568367    -10.07745499
  H     13.98767551      6.58950827    -12.88152129
  O     19.58092773      2.02442943    -12.57832759
  H     16.80998624      8.34609626    -11.69116100
  H     13.32695825      7.29430316    -11.66340606
  O     12.79542420      6.84932111     -9.99038820
  H     15.39632925      7.71762292    -11.58685486
  H     15.90569307      4.11672028    -10.99837930
  O     19.19989929      4.72071518    -11.76378355
  H     16.67238999      5.28350749     -9.31878979
  H     14.88796415      4.01460672    -12.16759705
  O     14.60603318      5.06786383    -13.59568444
  H     16.81680855      6.19494002    -10.56857942
  H     15.89724075      3.48731107    -15.84595019
  O     18.95312426      7.51540766    -14.75381690
  H     18.81177472      6.85806023    -18.22256872
  H     17.01361055      3.99471727    -14.90503565
  O     13.84573019      7.45245674    -12.46511161
  H     18.71886169      5.69931594    -17.20082384
  H     14.79138619      4.92919338     -8.22685154
  O     15.22831583      3.54601263    -11.39070006
  H     17.94215822      5.11407845    -13.07944801
  H     15.35518923      6.33935367     -7.96426769
  O     16.74375290      3.24042546    -15.45337181
  H     17.76532502      6.15732904    -14.20122065
  H     15.09358379      8.97478870     -8.23771075
  O     15.56772632      5.39916130     -7.89666092
  H     21.67993670      2.65753992    -14.97375978
  H     15.49953866      8.11941758     -9.45846751
  O     15.00056246      8.10806757     -8.62497996
  H     20.45318470      2.75021694    -14.04493816
  H     16.08534810      8.89635455    -14.15099806
  O     15.32611171      8.54461008    -14.62776869
  H     16.60524110      6.75250980    -16.96328044
  H     14.68399232      8.30112431    -13.94830442
          69
 Energy    -249.61344501841273     
  O     14.09955168     14.44443348    -12.51776786
  H     14.91589254     14.50397824    -13.03333396
  H     12.41953398     12.41146326    -14.15195318
  O     13.37678515     10.95033604    -17.85492769
  H     13.39155964     14.45074952    -13.17100803
  H     13.72243514     12.72444301    -17.21459708
  O     15.07242885      8.49141992    -12.37145076
  H     12.90382129     10.43267483    -17.18196647
  H     14.81018068     13.77940279    -16.88463833
  O     18.64413073     13.66486391    -12.47729110
  H     12.97381196     10.74295590    -18.69448679
  H     12.83094365     14.02385744    -15.47768409
  O     12.34476011      9.49432641    -15.74844314
  H     14.72362049      7.63030312    -12.10177543
  H     11.54641197     14.73669714    -14.99029951
  O     13.59403856      6.23100568    -11.85638526
  H     14.42957883      9.14905740    -12.07096272
  H     19.11969806     12.24754054    -13.75294347
  O     13.20589092      5.71615326    -14.67385985
  H     19.26135367     14.25479865    -12.05117083
  H     18.57337041     10.82196964    -13.79902778
  O     15.48280624     11.56003232    -14.23542612
  H     18.21563509     13.15265144    -11.77234439
  H     14.09319336     11.64938495    -10.90524358
  O     13.02777835     10.21211344    -11.56244914
  H     13.11086439      8.93929888    -15.54377545
  H     14.41939694     13.11155180    -11.32732959
  O     14.66067229      8.01006520    -15.09641943
  H     12.36393907     10.22482064    -15.11012712
  H     15.04777511     10.37060504    -17.16043421
  O     18.00252478     11.81858125    -16.82737747
  H     12.79524960      6.72530817    -11.63160601
  H     15.68602075     10.66390806    -15.78198625
  O     12.73983889     11.52111067    -13.96605433
  H     13.44493847      5.88313064    -12.74422177
  H     11.26226200      8.20890604    -14.82447972
  O     13.86813173     13.58702568    -16.80853685
  H     13.45968486      4.97937553    -15.22366425
  H     11.62455971      6.76695784    -14.43255084
  O     12.24977797     14.15938596    -14.70721410
  H     13.78750635      6.45774568    -14.91369309
  H     16.38254884     12.22167462    -10.61936283
  O     19.09865727     11.45734992    -14.30366881
  H     15.76451638     12.48331705    -14.21190378
  H     17.56155619     11.91323536     -9.66391520
  O     14.71255954     12.37507391    -10.77018495
  H     16.07932897     11.07007872    -13.65489560
  H     17.23847945     14.11201513    -13.62227561
  O     15.76222380     10.10174002    -16.57053226
  H     12.79604292     10.69237436    -12.37161141
  H     16.58653023     14.32165775    -15.03378659
  O     11.01099930      7.48660156    -14.23557935
  H     12.37854311      9.50558162    -11.45767504
  H     17.32085263     10.67315464    -11.83191498
  O     17.34907676     12.08918851    -10.57634067
  H     14.85975591      8.22147905    -14.17268806
  H     16.60914301      9.42804606    -12.44730544
  O     16.40098298     14.20672309    -14.09309413
  H     15.19109890      8.59409634    -15.65383829
  H     10.48596812      7.78828712    -11.10736643
  O     17.26326914     10.11997784    -12.62105438
  H     17.36451608     11.09844238    -16.89555903
  H     11.11991881      7.82925124    -12.51749513
  O     11.29854826      7.97303073    -11.57124197
  H     18.47433756     11.68071940    -15.99221917
  H     17.07983670     14.74212230    -17.51536368
  O     16.68024073     14.15653511    -16.87822115
  H     13.70723600     11.55250702    -14.04205455
  H     17.18571432     13.32325429    -16.90580335
          69
 Energy    -249.61326411239321     
  O     17.22481173      8.00215699    -15.51171039
  H     17.18354781      8.64850896    -16.23966902
  H     17.73180399     10.63158903    -17.28259845
  O     14.66854644     11.34945062    -14.88502505
  H     17.28033877      7.13914462    -15.91359048
  H     18.02395872     11.51100262    -10.05212454
  O     20.49104779     12.75898151    -12.32018357
  H     14.61512438     11.21677746    -15.84037377
  H     16.68681612     10.90049862    -10.51733856
  O     16.11485013      9.17214896    -11.05344294
  H     15.61129833     11.35530492    -14.64746453
  H     19.67375544     16.46195341    -15.04990947
  O     19.92409328     11.14979241    -10.14252978
  H     20.89490096     13.63369595    -12.39504644
  H     18.49102464     16.21056390    -14.09008331
  O     19.16270207      9.37967907    -13.99698877
  H     20.56735223     12.33092829    -13.18481467
  H     20.02900800     11.83677971    -15.53316796
  O     14.66853382     11.27018571    -17.72035938
  H     15.79017012      9.06218690    -11.96350362
  H     20.34868222     10.69946324    -14.55966278
  O     17.75059114     14.79316447    -16.84654726
  H     15.53793180      8.65300352    -10.49848330
  H     17.96751466      8.82742684    -11.19304993
  O     21.45966538     15.30880131    -12.83290360
  H     20.59025421     11.25024649     -9.46703134
  H     19.31829666      9.50360912    -10.87139772
  O     18.53509380     12.14328525    -16.53155283
  H     20.19865298     11.70681534    -10.88938970
  H     16.05406237     14.27157059    -17.43032418
  O     15.23661678      8.84202396    -13.61362714
  H     19.14161153      9.07696466    -13.07647487
  H     14.76636422     14.12344284    -16.60058238
  O     17.12714102      9.89414644    -17.44008021
  H     18.60541723      8.78727748    -14.51620320
  H     20.89424929     15.21622817    -16.37208770
  O     17.10506774     11.72982693    -10.25309367
  H     14.86410648     12.22447519    -17.72702262
  H     20.85836734     16.37322383    -17.39810904
  O     19.40558705     16.51689573    -14.12383107
  H     13.97178592     11.12864066    -18.35560840
  H     17.20101437     14.59780265    -13.47169755
  O     20.65942623     11.56928769    -14.84760605
  H     17.48655792     14.93137449    -15.92440674
  H     15.96834525     14.93048613    -14.33571162
  O     18.91826987      8.77033370    -11.35519160
  H     18.60497120     15.22743382    -16.95895513
  H     21.89343988     14.49201968    -14.53487286
  O     15.15339390     13.92233921    -17.46139757
  H     21.98226196     15.96112494    -12.37471878
  H     21.61885729     13.17348839    -15.28448323
  O     20.32249981     15.89649948    -16.77000180
  H     20.69937225     15.77880406    -13.22094487
  H     17.44027095     12.13074028    -13.48025255
  O     16.89587952     15.15808849    -14.20185813
  H     18.03951093     11.94683950    -15.72053879
  H     17.89813111     10.72948314    -14.00109165
  O     21.86042270     14.09870715    -15.41563652
  H     18.30449298     13.04869857    -16.77095100
  H     14.36578921     13.12852501    -14.68645504
  O     17.29629975     11.46701271    -14.16612111
  H     14.85072194      9.62827244    -14.01811016
  H     13.46539936     14.32692260    -14.31588686
  O     14.29935749     14.09726654    -14.71865720
  H     15.87329588      8.49769431    -14.25255816
  H     17.41531001     12.93709724    -11.51309930
  O     17.77535115     13.42609856    -12.26861093
  H     16.27369252     10.29875212    -17.63815642
  H     18.73142826     13.28767737    -12.26525857
          69
 Energy    -249.61301532241131     
  O     14.49952352     11.49264404    -14.74282817
  H     14.22145398     10.89198102    -14.03940636
  H     15.28678402     11.86915176     -9.86364179
  O     20.15145073     10.19445419    -10.83008493
  H     15.46245682     11.55137955    -14.64789294
  H     18.09807043     16.22457812    -13.37357599
  O     20.12153983     12.67315270    -11.97999978
  H     20.17343185     11.11696753    -11.13566053
  H     18.44735517     17.64055159    -12.86534279
  O     14.30350412      9.81910186    -12.54820893
  H     20.84865096     10.10273172    -10.18513416
  H     20.28748528     11.98744234    -15.28505244
  O     17.49594055      9.19808676    -10.72328882
  H     20.34315036     12.39643066    -12.88080907
  H     21.44771334     12.82585031    -14.68378327
  O     17.87226189      8.78294428    -14.67483273
  H     20.45998219     13.57505782    -11.88292433
  H     16.77010299      8.17819015    -11.90729335
  O     15.31694274     11.42601335    -17.40942136
  H     14.87606535      9.04821603    -12.63384529
  H     16.11685481      6.83317058    -12.31035324
  O     18.00582032     14.53636019    -16.53353216
  H     14.69498428     10.35705565    -11.84912106
  H     15.42446430     13.15422808    -17.62592253
  O     21.02079156     15.22965704    -12.20100582
  H     16.91923360      9.95229527    -10.54629197
  H     15.00763266     14.40617504    -18.43198096
  O     18.85357748     11.91745949    -16.40839882
  H     18.40278593      9.52564890    -10.70328369
  H     19.40156894     15.64901271    -16.09063732
  O     17.55461973      9.56246984    -17.30906959
  H     18.76619080      8.88575366    -14.31091742
  H     19.72313522     16.52368947    -14.86139595
  O     15.72373488     11.40129592    -10.57094634
  H     17.33183356      8.30545956    -14.03306303
  H     17.41799242     14.78132608    -14.78509484
  O     18.83528886     16.82453702    -13.17150953
  H     14.87824181     11.33315635    -16.55117906
  H     16.02400853     14.83315414    -14.14200595
  O     20.93311401     12.01710317    -14.56512253
  H     16.02549640     10.77387775    -17.42465227
  H     21.45405242     15.12049549    -15.16654563
  O     16.31349307      7.70952133    -12.63040067
  H     18.38022146     13.64723137    -16.60707699
  H     22.97677122     14.84657829    -15.14421643
  O     15.46692294     14.12754824    -17.64434114
  H     17.15330310     14.51014578    -16.98678009
  H     20.31295923      9.53196547    -12.64598513
  O     20.11839920     16.12066886    -15.64369177
  H     21.52237748     15.07465890    -13.01160134
  H     20.66942413     10.21456331    -13.98085247
  O     16.96475923     14.96507857    -13.95076974
  H     20.30438706     15.83005700    -12.44279224
  H     17.43171441     10.52088927    -14.23518795
  O     22.14591704     14.55439519    -14.77876266
  H     18.60216820     11.17001407    -16.96071225
  H     17.32200181     11.86918681    -13.42315321
  O     20.30477011      9.40446083    -13.60160746
  H     18.25408909     11.86612122    -15.64342345
  H     14.32906927     13.36265641    -14.76457833
  O     17.22966051     11.46454584    -14.29246697
  H     17.68242362      8.82509721    -17.90051347
  H     14.70196064     14.37329104    -15.85498640
  O     14.50257465     14.30258909    -14.91351082
  H     17.63919813      9.21057517    -16.40656480
  H     17.21433521     13.75685261    -12.61192984
  O     17.38815686     13.03372058    -11.99306712
  H     16.27118330     12.05278340    -11.04062465
  H     18.34760954     12.95482784    -11.89754926
          69
 Energy    -249.61282540547148     
  O     17.16218131      8.45249877    -10.52041114
  H     16.71854928      7.77125812     -9.99790491
  H     13.35509031      8.60230092    -15.57569502
  O     11.15885641      9.27370938    -12.78821985
  H     17.70080555      7.97714790    -11.16459714
  H     14.52016332      5.86407459    -13.34446197
  O     12.49323314      3.81546757    -12.44062781
  H     10.67744181      8.47317936    -12.54683059
  H     15.51796189      4.77852620    -12.90247423
  O     14.45581492      5.66596580    -16.19569014
  H     11.52131446      9.11861605    -13.67018403
  H     13.40385764      7.77957043    -13.65876720
  O      9.81092020      6.83231878    -12.02432091
  H     12.20946485      4.42108378    -11.74124629
  H     14.61172855      8.22431892    -12.78673507
  O     15.18438828      4.09956633     -7.81755101
  H     13.29769400      4.17760517    -12.84248542
  H     16.01458382      9.40932992    -11.49925693
  O     12.87866372     10.30810754    -10.94199556
  H     13.49581668      5.66432100    -16.29963395
  H     14.62852107     10.09597385    -11.73810606
  O     16.76450207      4.91619108    -11.56830935
  H     14.63906862      5.26924723    -15.33357552
  H     13.15217821      0.90390712    -11.18366644
  O     15.06987202      8.30349935    -16.35971632
  H     10.35276527      6.34163861    -11.38296307
  H     13.08360308      2.41035346    -11.52004944
  O     12.55496241      3.52001531     -8.78306647
  H      8.92568971      6.85795693    -11.66773445
  H     13.12516269      8.53465478    -10.25107681
  O     11.62657093      6.06666268    -16.36069198
  H     15.61116314      3.81599100     -7.01361291
  H     13.50588813      7.44924591    -11.26239112
  O     12.51006716      8.44202195    -15.13515307
  H     15.53567628      3.54204482     -8.53650646
  H     11.18786757      4.47597732    -13.61279169
  O     14.77090212      4.93788209    -13.49288965
  H     12.51988538     11.11315468    -10.57904276
  H     10.22660883      5.67353543    -13.47369024
  O     14.00980391      7.48855520    -12.96648384
  H     12.24402525      9.99487424    -11.61196537
  H     11.78133552      4.81913059     -9.72654329
  O     15.41724658      9.76235677    -12.17924856
  H     16.35577248      5.41855931    -10.84767689
  H     12.13948935      6.24586203    -10.24521088
  O     13.44804969      1.76297957    -10.89346929
  H     17.39606111      5.51482899    -11.98707309
  H     16.36264199      3.32258615    -10.62775253
  O     13.29887406      7.58974117    -10.32407967
  H     15.33518193      8.52494138    -17.24879761
  H     15.20373551      2.31595800    -10.38394242
  O     10.58605747      5.04455218    -14.11065085
  H     14.92964948      7.33921076    -16.33985566
  H     15.46299134      5.67579844     -8.77521765
  O     11.54284535      5.49490717    -10.37794926
  H     13.37379271      3.75950958     -8.33150287
  H     14.78265504      6.77863397     -9.64261518
  O     15.99729796      2.69733277     -9.98771662
  H     12.79453888      2.80513405     -9.38543349
  H     19.26984758      6.98615721    -12.95074020
  O     15.62813941      6.35545336     -9.43947676
  H     11.21641753      5.65515004    -15.57858844
  H     17.87053843      7.52933073    -13.31338163
  O     18.35217745      6.95419089    -12.69273771
  H     11.05821233      5.87594405    -17.10176608
  H     16.49446231      9.26970775    -13.62317496
  O     16.95588336      8.69583772    -14.25012018
  H     12.11513533      7.68387454    -15.58697855
  H     16.34927211      8.56368113    -14.98767563
          69
 Energy    -249.61258606454612     
  O     -6.35776985      3.74414387      0.07174450
  H     -6.62294209      3.11457024     -0.60807477
  H     -5.16187503     -1.41199575      4.74071710
  O     -7.50550643      2.92062028      2.53602323
  H     -6.86519450      3.52524451      0.86420803
  H     -0.06959783      1.51830059      2.32440225
  O     -3.83095454     -1.94548663      1.52186494
  H     -8.36330007      2.91595497      2.95188673
  H     -1.08272470      0.37492606      2.10657270
  O     -1.18450162     -0.88645172     -1.60920860
  H     -7.25669729      1.99108232      2.38906853
  H     -2.84623343      3.43671522      0.84991406
  O     -4.48802592      1.07255369     -2.26948897
  H     -4.46175932     -2.30846721      0.88665008
  H     -1.86465086      2.31127343      1.38056711
  O     -5.52508539     -2.72028502     -0.59514752
  H     -4.29525936     -1.77013134      2.35059428
  H      0.67433376     -1.22897124      1.18103667
  O     -3.79245864     -1.64443039     -2.35237034
  H     -1.37619765      0.05374290     -1.74149315
  H      1.70727583     -0.09129923      1.25162241
  O     -1.78447185      1.82302654     -1.92481566
  H     -0.24677945     -1.00815007     -1.80066711
  H      2.25068535      2.44580741      1.60449195
  O     -1.22037491     -1.17328032      1.16336824
  H     -4.41906882      0.89116345     -1.31774944
  H      1.33485540      1.92305046      0.47390339
  O      1.62783202     -0.90520065     -1.74374134
  H     -5.38363762      1.40570292     -2.38688973
  H     -7.31459929      0.93363588     -1.41076644
  O     -6.56562321      0.42923663      2.01285286
  H     -4.89905065     -2.38381434     -1.26305100
  H     -7.95355101      1.89472762     -2.43786420
  O     -5.05882108     -1.02714684      3.87548764
  H     -5.77977380     -3.59549242     -0.87559137
  H     -2.51942391      1.16605763      3.64967669
  O     -0.96648732      1.23417684      2.54102659
  H     -2.85282560     -1.56069880     -2.14481753
  H     -3.86504250      1.91284590      3.87481971
  O     -2.36013688      2.63580032      0.61742751
  H     -4.09827544     -0.74271067     -2.52015154
  H     -7.31393597     -0.28263497      0.44824503
  O      1.59355323     -1.00936266      0.97562597
  H     -2.66765390      1.69195249     -2.29207464
  H     -6.84219480     -1.31172967     -0.58551335
  O      1.54261302      1.83419195      1.42123838
  H     -1.92909624      2.18132158     -1.03424300
  H     -3.62435525      1.32867688      0.63120827
  O     -7.19514349      1.78351884     -1.87046771
  H     -1.22367198     -1.07172055      0.20057289
  H     -3.96205621     -0.19531314      0.78326504
  O     -3.40802632      1.06929229      4.00920161
  H     -2.05666474     -1.60017959      1.39007228
  H     -4.86429558      4.42961071      0.64227324
  O     -7.43132698     -0.55662813     -0.47118532
  H      2.33552636     -1.40286502     -2.14311230
  H     -4.02129390      5.70390210      0.89341286
  O     -4.29457925      0.65296762      0.46554041
  H      1.70662229     -1.02266662     -0.77974391
  H     -5.75656744      3.29888081      3.30252064
  O     -4.06257651      4.77012478      1.08002509
  H     -5.80665793      0.63301853      1.44198289
  H     -4.48834860      3.96374022      2.76291744
  O     -4.81449920      3.40492771      3.47819774
  H     -6.21683406     -0.11096223      2.73191306
  H      0.10685260      1.97632209     -1.61355224
  O      0.99526584      1.85479017     -1.25662989
  H     -4.43721636     -0.27894588      3.96987789
  H      1.28713559      0.98642918     -1.56178858
          69
 Energy    -249.61189343500945     
  O     -1.12768329      0.36418636      3.29103987
  H     -1.95330598      0.79816382      3.54126899
  H     -5.75510869      3.82601149      0.60065903
  O     -3.80553490     -1.92835614     -0.88371061
  H     -1.06735091      0.38255997      2.32276717
  H      0.25854246      1.85943769      0.59596314
  O     -1.40460780     -2.44114590      0.21247214
  H     -4.42917895     -1.84774992     -0.14756477
  H      0.82377241      2.72613854      1.72626199
  O     -4.62530174      1.17676616      1.46484045
  H     -4.06333989     -1.25308510     -1.52061450
  H     -4.85275465      4.53081819      2.86196791
  O     -7.84123501      3.60948922      2.96325678
  H     -2.26163091     -2.29236297     -0.22818107
  H     -4.73363091      3.42667479      3.92563729
  O     -8.13602287     -0.67534193      0.90181603
  H     -0.97990780     -3.16198301     -0.24409811
  H     -2.31038314      3.15682321     -0.07290195
  O     -3.49838996      1.86601905      3.85441388
  H     -5.34957811      1.76715837      1.22038350
  H     -0.96992281      3.67560684      0.47400927
  O     -4.68351649      0.27758721     -2.48785205
  H     -4.94739512      0.26668271      1.42204869
  H     -3.46579233      4.69575575      0.79193689
  O     -5.49686905     -1.47151201      1.26480484
  H     -6.95959904      3.83915703      3.30966817
  H     -4.33998448      5.96210662      0.82072813
  O     -4.68962147     -2.44969225      3.75401493
  H     -8.45909810      4.22489079      3.34768073
  H     -5.27018770     -0.77196132      4.46217189
  O     -2.98439968      1.59069819     -0.67706165
  H     -8.99192834     -1.09397697      0.90709106
  H     -4.84109956      0.70316268      4.58556941
  O     -6.43794350      3.14391369      0.56448887
  H     -8.07673551     -0.14019444      1.71622734
  H     -0.82018440      3.50784555      3.48172131
  O      0.57331531      2.75191823      0.79530091
  H     -2.87185671      2.59632929      3.72051390
  H     -1.75589493      3.87963350      2.31411026
  O     -5.28726503      4.16109874      3.64043771
  H     -3.88645743      1.63992322      2.99237654
  H      0.16961977      1.60056242      3.62085978
  O     -1.91254761      3.89087495      0.41777241
  H     -4.86269843      0.31711394     -3.42324372
  H      1.37167751      2.24515915      4.34637235
  O     -4.34689756      5.02965760      1.02597513
  H     -5.51562305      0.50374642     -2.03414253
  H     -7.07327221      0.54575857      3.71106352
  O     -5.59796551      0.11119200      4.67143085
  H     -6.44837007     -1.34509690      1.15619960
  H     -7.90278716      1.73044611      3.14917512
  O     -1.71193499      3.81494438      3.27659049
  H     -5.33181895     -1.87547733      2.12631039
  H     -1.86223222     -2.43353151      2.06168062
  O      0.73475330      2.39056700      3.65181479
  H     -3.74603505     -2.42235130      3.51282006
  H     -1.68542222     -1.44287175      3.22826325
  O     -7.80800122      0.77237078      3.12220504
  H     -4.82419310     -3.25454296      4.24700206
  H     -0.89552080     -0.65843846      0.35758192
  O     -2.10839496     -2.27485374      2.98107413
  H     -3.45915061      1.21953455     -1.42879595
  H     -1.55697708      0.70185855      0.02229976
  O     -0.83411465      0.29133022      0.51753074
  H     -3.54305343      1.42445010      0.09875881
  H     -7.40481522      0.37790063     -0.52395605
  O     -6.92928197      0.96117069     -1.12710684
  H     -7.04530991      3.32032133      1.29511330
  H     -6.83432836      1.80273016     -0.66072186
          69
 Energy    -249.61172730155232     
  O     15.59322430      7.18544057    -10.02583030
  H     15.02638301      6.43558980    -10.24135413
  H     16.73159598      6.75430624    -16.66411549
  O     14.08148397      5.31894748    -15.67358327
  H     15.12493109      7.97001761    -10.34442895
  H     17.64565445     11.04258765    -14.69342116
  O     18.00367698      9.23198824    -14.36972268
  H     14.66786393      5.77117675    -16.29086704
  H     17.44544455     12.15723939    -13.66453854
  O     11.64088732     11.97084920    -12.28811604
  H     14.59205165      5.20276585    -14.86022401
  H     15.53775192      7.14297911    -13.44796640
  O     15.51534151      5.30022152    -13.28401044
  H     17.15421820      8.86649049    -14.08196022
  H     15.15409830      8.47285498    -12.73372701
  O     11.70863345      9.11627432    -12.36301212
  H     18.49138685      9.42528154    -13.55549336
  H     13.16431459      5.52123026    -11.40232602
  O     17.15321953     12.09207471    -11.66990532
  H     11.65067120     11.92601902    -13.26276964
  H     13.58726178      4.34428660    -10.49230564
  O     14.69301894     11.56865478    -15.12247514
  H     10.98289437     12.61714379    -12.04781311
  H     11.69765313      7.24721974    -12.13243836
  O     11.54501055      5.98345481    -15.05386020
  H     15.03488059      5.13085102    -12.46327500
  H     11.72567982      6.11399316    -13.17415095
  O     14.56196150      8.89695982    -15.91699562
  H     16.46084740      5.21441333    -13.10876361
  H     18.28976941     10.51770561    -11.64241448
  O     11.90712445      8.77721658    -15.13276454
  H     11.78632654      9.01841765    -13.32436216
  H     18.58579636      9.01130814    -11.38189696
  O     15.94770366      6.81295440    -17.23885766
  H     11.53988350     10.05157672    -12.20020099
  H     18.21741975      7.66809738    -15.27973382
  O     17.34991337     11.95976896    -14.60228067
  H     16.19717925     12.06101827    -11.83322796
  H     18.19202096      6.23483917    -14.74870545
  O     15.57710370      8.10464480    -13.51864567
  H     17.31270682     12.88247981    -11.15851301
  H     18.30321076      6.13964001    -12.16731259
  O     13.92973834      5.08567780    -10.98406152
  H     15.62361300     11.83367007    -15.07304784
  H     19.00461538      4.89368000    -12.74739463
  O     11.88116349      6.30574447    -12.24087586
  H     14.68156524     10.68243003    -15.50902694
  H     11.71343219     10.69640545    -15.15731758
  O     18.90315049      9.79833271    -11.83972912
  H     12.44733952      5.72604536    -15.31822941
  H     12.82171666     11.76744258    -15.13832578
  O     18.09149260      6.74769353    -15.55636454
  H     10.94684976      5.39451815    -15.50559125
  H     18.70147302      7.13340070     -9.89350881
  O     18.27986368      5.49722952    -12.89438846
  H     14.87861941      8.61897265    -15.04227435
  H     17.25746951      7.21367011    -10.43795911
  O     11.88209632     11.62572503    -14.95545951
  H     14.98727382      8.30138306    -16.54313012
  H     13.54359565     12.00907033    -12.18420021
  O     18.19630824      7.22486647    -10.69810106
  H     11.64245207      7.85081873    -15.18684267
  H     14.56626232     11.71739668    -13.30740919
  O     14.47713646     11.82980193    -12.34861670
  H     12.81009444      8.81433443    -15.48121353
  H     14.46853355     10.15939835    -11.57448558
  O     14.28258755      9.24214770    -11.33761748
  H     16.25537516      6.67966016    -18.13141345
  H     13.36880463      9.08536259    -11.61330260
          69
 Energy    -249.61147342390211     
  O     13.43391471     11.99864364     -8.56762572
  H     13.40860810     11.93425087     -7.61643065
  H     11.54117906     13.73295906    -13.49681255
  O     11.14415476     10.90201429    -15.25792792
  H     13.60690564     11.09968520     -8.90381437
  H     13.48383096     14.65347673    -12.00473486
  O     13.77498155      9.54566304     -9.64366662
  H     11.54414203     11.02786163    -16.12784531
  H     13.43593924     13.23054483    -12.60267848
  O     18.22068010     12.41772168    -13.71835664
  H     11.05563991     11.78179310    -14.86462670
  H     11.63106849     14.01760627    -15.68810391
  O     11.43226712     12.45642098    -10.48414861
  H     14.55504275      9.22764113    -10.11205002
  H     12.26409126     13.31968574    -16.91020273
  O     11.61652829      9.76583601    -11.40844347
  H     13.02050632      9.41336054    -10.23388336
  H     15.21815539     11.79343043    -12.70757006
  O     13.10257151      9.65373069    -13.75481149
  H     17.88273994     11.74033309    -14.32646581
  H     14.02534421     11.17658898    -13.49538769
  O     15.02042321     15.58480753    -11.48880828
  H     19.15769233     12.49066707    -13.88524154
  H     13.50490068     11.46228019    -17.39541876
  O      9.46783500      9.95571799    -13.12802476
  H     11.99620516     12.34644061     -9.70899656
  H     12.46214860     11.29412126    -18.52362038
  O     14.81562213     13.86365376    -15.36079975
  H     11.92498204     13.03333687    -11.08767227
  H     16.89787362      8.48113568    -10.54607345
  O     15.19537848     11.60542082    -16.93539209
  H     11.58036894     10.68010067    -11.09741012
  H     16.40987796      9.80265682    -11.18982228
  O     10.81224004     13.43798875    -14.06198132
  H     10.81760867      9.63972555    -11.94103722
  H     15.88646292      8.62076310    -12.89880763
  O     12.87844070     13.95396181    -12.27425235
  H     12.65865098      9.59325496    -12.89780131
  H     14.76616282      8.91707824    -13.91237858
  O     12.27352472     14.13815465    -16.39892172
  H     12.44407179      9.99447839    -14.37507501
  H     17.79269190      9.77552353    -15.89102056
  O     14.47947574     12.00398007    -13.29029465
  H     15.63345438     15.35690014    -12.21146037
  H     16.71024584      9.75412219    -14.79003420
  O     12.55405058     11.50821936    -17.59898276
  H     15.14516685     16.51224814    -11.30731591
  H     16.40056784     12.15205375    -10.93498240
  O     16.17624549      8.86951820    -11.03471430
  H      9.90700171     10.14989580    -13.96649209
  H     17.31699380     11.85576640    -12.18586000
  O     15.71192402      8.72468353    -13.84154089
  H      9.16676912     10.80671436    -12.78654737
  H      9.82643789     12.54498652    -11.33457625
  O     17.26660126     10.34278730    -15.33218722
  H     13.94451426     14.10295976    -15.70826675
  H      8.34074331     12.93994411    -11.48524582
  O     16.67497465     11.47603336    -11.57536502
  H     14.68007228     13.19416340    -14.67273356
  H     17.24430221     14.10955947    -13.56550773
  O      9.08593745     12.58325068    -11.96243702
  H     15.17434112     12.47789512    -16.51574111
  H     16.01482162     14.67574345    -14.28130250
  O     16.62420612     14.84537892    -13.54638542
  H     15.86189409     11.10955362    -16.45069131
  H     14.86036636     12.96727030     -9.41768998
  O     15.63803429     13.30551861     -9.87764330
  H     10.07916070     13.24837266    -13.46511444
  H     15.38261104     14.12724645    -10.31406685
          69
 Energy    -249.61118497980800     
  O     17.31206011     11.48628859    -14.08904605
  H     16.46845305     11.95136501    -14.13274187
  H     12.53236411      7.09742503     -7.98200258
  O     15.35030553      6.14614440    -11.78443280
  H     17.45905621     11.28894291    -13.15441269
  H     14.52322696     12.31494518    -10.58249346
  O     11.66198055      8.58581788    -12.89113966
  H     14.39479029      6.10454618    -11.65145280
  H     15.92911968     12.08557535    -11.18295771
  O     13.40070180     11.51840795     -9.30547491
  H     15.51821654      5.95895022    -12.71946187
  H     14.89073036      9.03632659    -10.82102022
  O     12.91347038      6.71958006    -16.54724097
  H     12.35510763      9.12273972    -13.30194003
  H     15.32055746      7.98578934    -11.86299499
  O     15.82945858      5.88012081    -14.49008107
  H     11.21177782      8.12132267    -13.60759151
  H     17.58427801     10.13890870    -15.13558336
  O     13.82158978      9.98732390    -13.88616744
  H     12.94644272     12.09004990     -8.69169541
  H     18.33610123      9.54280945    -16.34898916
  O     17.66602046      9.09113878     -9.10112972
  H     12.72188081     10.95312715     -9.71703821
  H     11.29030242      5.47771132    -14.09295180
  O     13.77723790      4.21137026    -15.43747573
  H     13.23352044      5.83402434    -16.33537967
  H     12.06171550      5.17642760    -12.79732518
  O     14.85379612      9.14438888     -8.93622610
  H     13.66022459      7.31496722    -16.39814500
  H     17.53501313      6.66110125    -13.98199296
  O     17.82668232      7.12393522    -10.92086933
  H     15.55437334      6.71485505    -14.89645276
  H     18.13327468      8.02844552    -14.31634758
  O     12.67394579      7.46558243     -8.85044496
  H     15.23658660      5.20224782    -14.83628189
  H     11.79302000      8.93814194     -9.77583481
  O     15.14569053     12.64981168    -11.23835958
  H     14.30466440      9.65230563    -13.11269475
  H     11.52934767      9.41629532    -11.21800289
  O     15.12046031      8.92441363    -11.75084255
  H     14.02681790     10.92608232    -13.96568111
  H     12.31749492      7.14105744    -11.94367807
  O     17.68826515      9.33825784    -15.67997830
  H     17.76483066      8.35760266     -9.73860281
  H     12.55719113      6.60264927    -10.51111360
  O     11.81465032      4.79802542    -13.65133744
  H     18.37489082      9.00260715     -8.47060670
  H     11.46056596      6.99326916    -15.62519635
  O     18.18575158      7.30733343    -13.67954738
  H     13.70824497      3.30754949    -15.73214048
  H      9.91774754      7.10648405    -15.59183005
  O     11.63670705      9.72649606    -10.30929869
  H     13.08779277      4.34070630    -14.76150143
  H     14.60921497      8.90930110    -15.11499020
  O     12.59080572      6.35799453    -11.44335771
  H     15.81840092      9.17626515     -8.88562211
  H     15.96857343      8.65549171    -15.81662580
  O     10.68850836      7.05283116    -15.03343014
  H     14.50498552     10.04615401     -8.92797155
  H     14.39353548     13.50237151    -14.21779756
  O     15.08075237      8.29541180    -15.69541998
  H     18.12662785      7.26440174    -11.83070218
  H     14.80044519     12.74243456    -12.93051413
  O     14.69151533     12.65645126    -13.89549938
  H     17.00872547      6.61856826    -11.01413251
  H     17.58781859     10.36292656    -10.58004677
  O     17.20026928     10.72908026    -11.38136446
  H     13.50088819      7.97493553     -8.80816017
  H     16.54808329     10.06692220    -11.65877996
          69
 Energy    -249.61117051410019     
  O     11.67735803     10.74894334    -15.39393701
  H     11.28568441     10.26158175    -14.65919471
  H     15.72667328      6.42449586    -15.90356566
  O     15.54119685      6.52786259    -14.09451130
  H     12.17581356     11.48586681    -15.02059339
  H     19.30316855      8.63111331    -13.30565327
  O     16.44797415      9.78403843    -11.24884976
  H     16.23335168      6.68263933    -13.43850125
  H     19.26902269      7.50841945    -14.37811881
  O     17.27642514     10.59368949    -15.14457962
  H     14.73309609      6.36862501    -13.58803131
  H     16.17860869     11.92290271    -15.86196259
  O     12.93996489      6.54208358    -17.02144274
  H     15.78526776     10.27474690    -11.75523858
  H     15.31950077     11.91504081    -17.13125516
  O     14.71543807      8.43641927     -9.58240928
  H     15.96265652      9.38883820    -10.50968762
  H     14.40830950      9.20227261    -15.52798404
  O     13.39662637      6.33827063    -12.34862148
  H     16.48194657     10.07684973    -14.93550732
  H     15.14444412      8.23327735    -14.54500187
  O     14.34360568     10.84442750    -12.71404669
  H     17.82843378     10.60072105    -14.35518542
  H      9.62469788      8.91381891    -13.29886948
  O     17.17980392      8.96247718    -17.38709255
  H     13.91212284      6.48274617    -17.01538427
  H     10.87925043      8.19639498    -13.85159474
  O     15.36323545      5.73671476    -10.40415722
  H     12.63114710      5.92646369    -17.68117119
  H     12.06055592      6.62192044    -15.32688782
  O     18.91073595      7.11562188    -16.14959684
  H     13.90201723      8.61098112    -10.07392022
  H     12.18491514      6.41142361    -13.79336725
  O     15.64929890      6.55773810    -16.86015273
  H     14.87670461      7.48982003     -9.67158973
  H     19.29316517     11.01670345    -12.26269276
  O     19.34929452      7.67636283    -13.42861607
  H     13.17077211      7.23871702    -12.07095151
  H     17.96724341     10.24084610    -12.10792840
  O     15.43146058     12.36601475    -16.28689002
  H     13.94512783      5.97045330    -11.64491859
  H     18.02596970      7.18821439    -12.39374621
  O     14.95438536      9.16029256    -14.73373792
  H     14.03300011     11.64773916    -13.14542804
  H     16.90632296      8.02263525    -11.71230721
  O     10.56659573      9.00973075    -13.41447387
  H     14.50942154     10.21127481    -13.43249247
  H     14.81244776     10.76951738    -19.42184249
  O     11.60444708      6.75056531    -14.48762276
  H     16.59274972      9.46817198    -17.96062581
  H     14.43405542     10.13056405    -18.06393244
  O     18.70076192     10.42336151    -12.71829242
  H     17.35044554      9.54405217    -16.63085823
  H     13.24026883      9.65911180    -11.88714838
  O     17.17774174      7.12102947    -11.92864185
  H     16.09209622      6.13223597    -10.91328236
  H     11.86207953      8.99630203    -12.05131405
  O     15.14496624     10.58914298    -18.54648116
  H     15.73168763      4.99978091     -9.92400631
  H     14.14336575     12.70378623    -15.15412875
  O     12.68784215      8.93692078    -11.55493698
  H     18.43598129      7.76520599    -16.68678271
  H     13.25702911     13.75987367    -14.45457634
  O     13.44316860     12.82540880    -14.48764178
  H     18.54875346      6.26977362    -16.41144685
  H     12.63168362      9.81390235    -16.51082578
  O     13.29665893      9.32097947    -17.01783997
  H     16.14093370      7.36302209    -17.06272331
  H     13.02683055      8.39751149    -17.08114412
          69
 Energy    -249.61057085958925     
  O     12.41413599     12.91081149     -9.07691307
  H     12.17311535     13.24500064     -8.21704819
  H     10.78808162     11.97005472    -14.97566779
  O     12.73295789      9.78430740    -15.39035692
  H     13.02980540     13.55832172     -9.46570778
  H     15.37869289     12.71997993    -16.96894990
  O     13.90822107     10.54787460     -9.59412966
  H     13.56097393      9.74674899    -15.89362398
  H     15.97264388     12.77059491    -18.39771188
  O     17.85319502     14.06776791    -13.45823793
  H     12.40618673     10.69346093    -15.41596817
  H     13.11774843     13.25155355    -12.97376285
  O     10.89377316     12.10317349    -11.33799652
  H     13.26441850     10.01464363    -10.07409593
  H     12.57974846     14.69488781    -12.82904152
  O     11.91837545      9.50879607    -11.38489283
  H     13.43733071     11.35238923     -9.34150357
  H     15.21421742     12.59248596    -12.50056616
  O     14.15104214      9.54638947    -13.00977128
  H     18.68752918     14.52695425    -13.51022969
  H     14.50341624     11.32249302    -13.06607398
  O     13.59554380     16.23096132    -12.46955430
  H     17.87591896     13.37269636    -14.14067668
  H     17.36707638     12.28948122    -16.19686822
  O     10.81478996      8.53498829    -13.83534137
  H     11.31059017     12.72568331    -11.95252962
  H     17.85606696     11.23950743    -15.18534358
  O     14.26060732     13.24699146    -15.73342088
  H     11.23201974     12.35931518    -10.47099683
  H     17.01996999     10.48983318     -9.15477955
  O     15.23010094      9.78966629    -16.50385582
  H     11.53543382     10.39922234    -11.37254115
  H     15.63725550     10.63932650     -9.82815087
  O     11.60296670     12.39355968    -15.28187673
  H     11.46297655      9.03085137    -12.08892778
  H     15.84914525      9.20056553    -12.58261733
  O     16.04720449     12.32647285    -17.55751273
  H     13.73450765      9.55580402    -13.88130877
  H     16.87221962      9.68959570    -11.54682047
  O     12.30884661     13.78706247    -13.00180933
  H     13.43360862      9.50233779    -12.36408932
  H     17.37993463      9.33116849    -13.98989171
  O     14.60337186     12.27580246    -13.17642311
  H     14.29003661     16.01087552    -13.11593763
  H     18.23879419      8.72205737    -15.12129821
  O     17.87265894     12.18482772    -15.38228405
  H     13.39653354     17.15607745    -12.58390838
  H     16.62407658     12.39527302    -10.81946570
  O     16.59604272     10.73999868     -9.97168389
  H     10.50690091      7.70786426    -14.19723555
  H     17.02310224     13.47088001    -11.90721900
  O     16.79711707      9.21065398    -12.37838677
  H     11.47778934      8.88048563    -14.45689851
  H      9.84153134     10.21299524    -13.78925049
  O     17.61183907      9.41514352    -14.93191612
  H     13.32041073     13.05823037    -15.83713771
  H      9.81876458     11.47554940    -12.91285630
  O     16.36786198     13.22621829    -11.24071925
  H     14.51344481     12.84646142    -14.88550131
  H     15.02574353     14.81321466    -14.91058495
  O      9.60627565     11.14872340    -13.79540934
  H     15.99346397      9.56339489    -15.95863927
  H     16.27042396     15.02596259    -14.02131608
  O     15.44142489     15.43362876    -14.29884570
  H     15.49546316     10.57360561    -16.99905575
  H     15.00921698     14.18623414    -10.46916391
  O     14.19609581     14.62388072    -10.18124527
  H     11.83014982     12.99339489    -14.55531443
  H     13.98007945     15.25900372    -10.87360775
          69
 Energy    -249.61045271466350     
  O     12.79074346     11.50052126    -17.42960766
  H     13.54736915     11.27667743    -17.98391775
  H     18.56936619     10.73358167    -13.60062020
  O     17.51640489      6.08599754    -14.00610290
  H     13.15950048     11.83068397    -16.59895529
  H     15.48995878     11.32817607    -15.85911262
  O     18.26538022     12.18595040    -14.83078689
  H     17.37588442      6.87964554    -14.53631533
  H     15.97601989     10.81487339    -17.24384162
  O     15.18205846      4.78604722    -14.18569581
  H     17.80207761      6.40871149    -13.13836219
  H     14.05225193      9.31274815    -13.20111037
  O     14.39415810      9.60606941     -9.74428638
  H     17.62559814     11.80155099    -15.45298112
  H     14.64707229      7.97433289    -12.64704203
  O     14.27187146      6.28878268    -11.98447388
  H     18.85856036     12.72661176    -15.34675731
  H     11.71172118     10.13027490    -17.37757453
  O     12.54153076     10.28021010    -13.49507840
  H     15.27945554      3.85047372    -14.33847951
  H     10.39624421      9.45832617    -17.84042176
  O     13.67449780      8.11801836    -18.29958542
  H     16.08080286      5.16083310    -14.11504908
  H     18.37199245      8.29035319    -11.90649677
  O     15.81838131      7.14454679     -9.89842137
  H     14.85773345      8.76240945     -9.66787760
  H     17.41741903      7.46022817    -11.00960363
  O     16.62894861      8.57203180    -15.04028409
  H     15.03287142     10.20109826    -10.15796825
  H     11.60749037      7.34379032    -13.22770978
  O     14.40249483      6.93823892    -15.84031571
  H     13.31582211      6.43982563    -12.04638499
  H     11.65025271      7.89564825    -11.77924823
  O     18.41577083      9.91102925    -13.11861630
  H     14.53082910      5.68731302    -12.69250051
  H     16.80420691     12.91241072    -13.71286400
  O     16.26226403     10.99057197    -16.33884442
  H     12.21017445      9.54391158    -14.03027551
  H     15.97575868     12.33722984    -12.55543402
  O     14.87163482      8.83531497    -13.02041339
  H     12.21911876     10.16359140    -12.59192359
  H     17.10970243     10.58381421    -11.87483736
  O     11.21803141      9.29020676    -17.38740433
  H     13.94629107      7.57604472    -17.54773382
  H     15.67724981     10.08988847    -11.99062667
  O     18.13741596      7.39266136    -11.64720812
  H     12.77536574      8.40830045    -18.10187464
  H     15.32093938     10.43358827    -19.71526374
  O     11.69562034      7.08452209    -12.30127024
  H     15.26451076      6.74404464    -10.59032824
  H     14.63523096      9.52949149    -18.66350045
  O     15.95944607     13.00191051    -13.25753454
  H     15.94007005      6.47877566     -9.22525814
  H     11.29016699      9.93036237    -10.23297784
  O     16.22054474     10.75718283    -11.54330870
  H     16.56339235      9.37417216    -15.57452499
  H     12.78266912      9.58621072    -10.43447922
  O     15.08789085     10.38243537    -18.79226897
  H     16.02008623      8.67943839    -14.28833116
  H     13.48640762     11.48126502    -14.44756052
  O     11.90972549      9.57599088    -10.86552701
  H     15.16550893      7.50315188    -15.66517234
  H     14.64573379     12.51393791    -14.37878385
  O     14.07244459     12.02751557    -14.98945044
  H     14.57377271      6.10785113    -15.37883339
  H     12.77735220      7.63921885    -15.24042538
  O     11.93417160      8.04056798    -14.98842856
  H     17.94421729      9.35164733    -13.74807824
  H     11.55636018      8.41203833    -15.79633815
          69
 Energy    -249.61022941583821     
  O     15.46439507      8.65031262    -15.48589740
  H     15.59751028      8.85119402    -16.42222078
  H     17.71506209      6.82799240    -17.15383591
  O     12.99132503      5.25638957    -16.79161652
  H     16.12218480      9.13335993    -14.97069965
  H     17.60975045      6.12260185    -15.17721583
  O     19.45945060      5.26897841    -19.11154092
  H     12.07432313      5.09102949    -16.99154429
  H     16.32665991      6.99200763    -15.47069446
  O     16.98469257      4.25775289    -19.30748713
  H     13.01028700      5.94197711    -16.09864912
  H     13.89916108      7.76756391    -15.09729917
  O     13.71845996      5.75153261     -9.61654389
  H     19.99055191      5.07323374    -19.87770221
  H     13.37398432      6.89057538    -13.94985906
  O     15.32427513      4.03931572    -12.95375837
  H     18.57337884      4.89231226    -19.27484653
  H     18.32734221      4.45795046     -8.77582561
  O     16.66053974      7.60500308    -12.05838633
  H     16.24595947      4.86562379    -19.15653221
  H     17.27488968      5.44450980     -9.34013627
  O     15.14314301      3.50255016    -10.18974922
  H     16.92757141      3.57155242    -18.63268386
  H     14.37929790      4.22792254    -16.11502359
  O     19.41389293      8.39945203    -15.40242343
  H     12.97887040      5.59535664     -9.03605483
  H     15.79583895      4.72893504    -15.74835538
  O     17.06259729      2.44318306    -17.08249247
  H     14.15332264      4.89137423     -9.75966826
  H     18.94329604      5.42685436    -13.65635793
  O     19.43014562      3.98617656    -16.51908415
  H     15.24552937      3.85531998    -13.89753846
  H     19.43147864      5.09955877    -15.11907601
  O     18.22214275      7.36703186    -17.77975150
  H     14.83888892      4.86167317    -12.79179062
  H     17.01285634      4.61590652    -12.55762655
  O     16.78232004      6.16581096    -15.67539986
  H     17.01206551      8.29557870    -12.63098894
  H     17.94279757      4.82363911    -11.33201050
  O     13.20960547      7.12863409    -14.87144286
  H     17.17391726      6.79828121    -12.20578797
  H     15.39320197      6.65558998     -9.30878061
  O     17.71470264      4.58886226     -9.49411155
  H     16.04238739      3.69560369     -9.89669035
  H     16.45785410      7.33556627    -10.19391075
  O     15.22252389      3.94332987    -15.74250200
  H     15.17707570      3.48041690    -11.15612669
  H     14.23688549      5.82834047    -18.12810488
  O     19.28829478      5.80950965    -14.47351570
  H     19.13719254      8.21171791    -16.30738460
  H     15.13596668      6.99065365    -18.60024250
  O     17.83233653      5.04091102    -12.26561125
  H     19.55877904      7.53015735    -14.99873965
  H     14.95360668      6.97639423    -12.25324290
  O     16.32095968      6.92232656     -9.33067426
  H     16.35979194      2.88584596    -16.57750241
  H     13.83523762      6.31643413    -11.40151033
  O     14.93205368      6.06291945    -18.75457099
  H     16.90659573      1.50530736    -17.00755667
  H     18.27644565      9.22129556    -14.40982106
  O     14.12141928      6.48379685    -12.30773897
  H     18.67994315      3.39529132    -16.65694634
  H     17.85288230     10.46764113    -13.59334118
  O     17.56059168      9.60339003    -13.86990543
  H     19.59062023      4.40225786    -17.37446871
  H     15.98004140      9.40090955    -18.97395659
  O     15.95147656      8.78445464    -18.24686723
  H     18.74146208      6.74995038    -18.30971628
  H     16.82590295      8.35907537    -18.20171884
          69
 Energy    -249.61006170298697     
  O     17.05834960     17.81488731    -16.58881357
  H     17.98377620     18.03193957    -16.40728489
  H     20.41552429     14.65159408    -16.74052322
  O     22.55841033     13.57344648    -13.73437017
  H     17.05637266     17.27474446    -17.38647624
  H     15.27392110     11.48331760    -13.30099975
  O     15.48604522     14.46207515    -14.05144588
  H     22.66545795     13.11263259    -14.57341520
  H     14.83322280     12.70170873    -14.12649129
  O     17.83264955     11.86960195    -17.19377149
  H     22.66634560     14.51854144    -13.92384215
  H     21.82577144     16.74134669    -13.86223565
  O     16.61582515     11.09754160    -11.98479279
  H     16.17182050     14.23899201    -13.40333580
  H     22.47701108     16.56245248    -15.24730063
  O     15.86354599     10.21649596    -16.07701277
  H     15.44137797     15.42561029    -14.08887123
  H     17.16199246     12.90322939    -11.98388772
  O     22.35497815     12.29276483    -16.35348604
  H     17.14226536     11.23928404    -16.95040615
  H     18.34803478     13.66951025    -12.61029744
  O     22.03440933     16.95731808    -17.10858297
  H     18.57078328     11.72089421    -16.58484242
  H     17.23642898      9.82910832    -14.76278698
  O     15.80527295     17.24622956    -14.24206194
  H     16.55522495     10.50653940    -11.23901746
  H     18.66967058     10.29240023    -14.44886727
  O     19.84443049     13.57173968    -13.51286529
  H     17.13839629     10.63627538    -12.66529376
  H     16.74888752     15.27302906    -17.93087520
  O     18.94272722     13.70375245    -19.12546076
  H     15.41132298     10.77364114    -15.41797478
  H     16.18218420     15.82145812    -19.26138927
  O     21.00179575     14.42404319    -17.47874056
  H     15.22077781      9.58697699    -16.39232387
  H     20.58678648     18.34880512    -12.42706716
  O     14.79189377     11.73720491    -14.09851186
  H     23.01782048     11.93786432    -16.94040755
  H     19.53896138     17.29997550    -12.85869376
  O     22.53640519     16.28325631    -14.32741957
  H     21.95055491     13.04866371    -16.81084565
  H     19.97117665     18.06748933    -14.90777379
  O     17.46575453     13.78704971    -12.22265296
  H     22.65085781     17.24530949    -17.77706100
  H     20.52768131     17.78525244    -16.33612530
  O     17.89143599      9.87612585    -14.05593981
  H     21.74852219     16.06247327    -17.35627281
  H     17.81657293     15.68216313    -12.22636718
  O     16.95587183     15.83229278    -18.70174120
  H     16.21869879     17.45044285    -15.09907638
  H     17.24666914     16.86285428    -13.04116856
  O     20.35587382     17.75205302    -13.13448149
  H     15.20295551     17.96138036    -14.05313700
  H     20.73613636     11.54631244    -15.68341272
  O     19.72549108     17.99444726    -15.84072877
  H     19.63306412     14.23988336    -14.18231362
  H     19.78446946     12.15339711    -14.63470816
  O     17.98865504     16.59528445    -12.48553740
  H     20.80834576     13.55574825    -13.42097881
  H     19.24414409     16.18790055    -15.62803465
  O     19.84911832     11.46669582    -15.31504216
  H     18.32336059     14.44293641    -19.12107734
  H     18.28992654     14.98299245    -15.90091069
  O     19.17033227     15.22775863    -15.58865081
  H     18.52952949     12.99802916    -18.60996425
  H     16.21650996     14.26254854    -15.67465029
  O     16.70558724     14.27776417    -16.50660914
  H     20.41062777     14.16167021    -18.19920426
  H     17.03760750     13.38896685    -16.69637862
          69
 Energy    -249.60956370897725     
  O     16.93490366      4.59953963    -15.87750720
  H     17.13757983      5.53897896    -15.96998019
  H     17.96467472     11.75972408    -14.12731978
  O     16.97524733      6.61584627     -9.16029743
  H     15.99401189      4.51497222    -16.07868353
  H     17.62747347     10.43650019    -17.66102614
  O     12.80297219      9.68919318    -11.62156546
  H     17.20425305      6.15860570     -9.98018705
  H     17.73761543     10.48447739    -16.11815815
  O     19.90977239      9.58281846    -12.86626298
  H     17.03419853      7.56359270     -9.34232677
  H     16.74914008      8.26828337    -12.79229228
  O     17.21260132      3.26835406    -13.52718470
  H     13.35455667     10.31486622    -12.10924636
  H     15.19551197      8.17984854    -12.60820042
  O     14.34293748      6.41824112     -8.63172914
  H     13.16924235      9.62141476    -10.73217900
  H     14.08702949      4.16691051    -15.10597202
  O     13.56358438      7.43685082    -12.98611525
  H     20.84224547      9.62822036    -12.67280284
  H     13.46678276      3.94775608    -16.50579501
  O     18.48933739     10.98834681    -11.04975948
  H     19.45058523     10.06714437    -12.15556975
  H     14.26833663      5.67643425    -10.40065962
  O     13.86807699      9.16865879     -8.96161969
  H     17.20019645      3.74299144    -14.37826966
  H     15.38739726      5.46269669    -11.45084926
  O     17.06889088      7.42568642    -15.85879980
  H     17.75832028      2.49658855    -13.65088476
  H     16.08807264     12.13586442    -12.95489279
  O     17.21196911      5.42050373    -11.72058577
  H     15.31243960      6.44586892     -8.74083749
  H     16.68374338     13.54968082    -12.76138080
  O     18.47081066     11.20055907    -14.72882082
  H     14.16307285      5.83191017     -7.90139748
  H     15.72394277      9.46564794     -9.39328926
  O     17.30033778     10.03245976    -16.86201285
  H     13.71493338      6.70112768    -12.37849921
  H     16.38044436      9.10679682    -10.73640822
  O     15.98331926      8.69419296    -12.38940914
  H     13.13309190      8.16175313    -12.50887218
  H     15.27611552     10.23206044    -12.94158262
  O     14.07839513      4.49656604    -16.02246590
  H     17.88566965     10.49385113    -10.47959871
  H     14.60756800     10.81057361    -14.20410542
  O     14.42844289      5.42047351    -11.31504728
  H     17.94842593     11.62042461    -11.53967669
  H     14.13280661      6.37253087    -15.87691656
  O     16.91329202     12.62465813    -12.79241617
  H     13.38526912      9.49999796     -8.20735548
  H     13.97442191      7.34901359    -14.69163686
  O     16.58127376      9.34593195     -9.81599561
  H     13.94271753      8.20879626     -8.84196963
  H     14.21607282      4.12768225    -12.69463418
  O     14.78273887     10.99977159    -13.26998981
  H     17.24270279      8.26519694    -16.30144743
  H     15.29728877      3.32574139    -13.43721299
  O     14.30274740      7.28104548    -15.60174344
  H     16.10836060      7.38187001    -15.73545932
  H     15.46058242     10.16244730    -16.28368649
  O     14.36541500      3.57696282    -13.47298226
  H     17.62192932      6.10896249    -12.26386911
  H     14.34622706      9.18078634    -15.89309677
  O     14.58818270     10.11554981    -15.87443844
  H     17.28523123      4.60455185    -12.23131181
  H     17.92606381      7.40609269    -14.28441932
  O     18.21929816      7.40707820    -13.36129093
  H     19.04301321     10.65964336    -14.17172183
  H     18.88269518      8.09867016    -13.24387913
          69
 Energy    -249.60952522349862     
  O     12.56561384     11.93497911    -14.64660220
  H     12.72503510     11.25652309    -15.31795322
  H     14.44000256      4.93000439    -16.29005331
  O     15.35477173      6.60532569    -13.70513757
  H     12.03157779     11.51532200    -13.96241275
  H     18.33198490      6.92662415    -14.22782254
  O     17.04638996      9.90113082    -10.68572720
  H     16.28457579      6.65103489    -13.44886366
  H     18.48064272      7.80100576    -12.97588512
  O     18.08231113      9.94836146    -15.05405005
  H     14.80296071      6.80340848    -12.93374111
  H     17.19952640     11.33042702    -15.96289046
  O     12.11082324      7.45439641    -15.85107923
  H     16.54406686     10.42788696    -11.32507364
  H     16.03065641     12.33228053    -15.78739495
  O     15.03437603      9.39057855     -8.88292273
  H     16.46307098      9.79367506     -9.92040019
  H     16.29451601      9.46696270    -14.76943636
  O     13.70949932      7.36205192    -11.62903607
  H     18.38578470      9.13272620    -15.47361732
  H     15.34899360      8.34771129    -14.23475893
  O     15.46374615     11.19397882    -12.53676424
  H     18.45953282      9.95635607    -14.16542217
  H     11.13009211      9.58181564    -12.89573701
  O     16.38108231      7.58974458    -17.44375618
  H     12.43836255      8.32696108    -16.10972491
  H     10.17448413     10.70262794    -12.42232469
  O     14.91614283      6.51073285     -9.24145564
  H     12.83138781      6.84558416    -16.04644744
  H     17.59668473      6.76144119    -11.41506934
  O     18.64929208      7.36258729    -16.04073005
  H     14.92034558      8.43542842     -8.81635558
  H     17.16441720      7.99861386    -10.61044030
  O     14.48834749      5.87820752    -16.19404510
  H     14.33535908      9.69676842     -9.47771224
  H     12.09778355      7.53258738    -12.69426961
  O     18.11932533      6.95961654    -13.28600410
  H     13.98800330      6.96489371    -10.79474127
  H     11.58018742      7.69014949    -14.14891714
  O     16.55007223     11.85757486    -16.44722283
  H     13.61703584      8.31042938    -11.45965537
  H     18.42324599      9.71601150    -11.75178495
  O     15.39332615      9.28074235    -14.47541713
  H     15.37778008     10.48045291    -13.18866535
  H     19.93621042      9.69195297    -12.06231619
  O     11.08406612     10.52332671    -12.64439497
  H     15.36924812     12.01178270    -13.03759846
  H     15.84463926     10.81804901    -17.66082745
  O     17.22074287      7.03407185    -10.57183439
  H     15.64794701      7.04660675    -17.12837535
  H     15.47613984     10.54563853    -19.13876002
  O     11.39192931      7.91655130    -13.22594767
  H     16.01431147      8.42529995    -17.75570083
  H     14.04839851     10.58922886    -11.54627186
  O     19.07865146      9.51769434    -12.44231347
  H     14.97844092      5.78277257     -8.62954570
  H     12.52737735     10.31342260    -11.48885425
  O     15.43384893     10.17137663    -18.26293598
  H     15.78410336      6.58958640     -9.67763152
  H     14.05855501     12.78953884    -14.51796262
  O     13.36723855     10.10092780    -11.06352947
  H     17.83892399      7.39934361    -16.58236207
  H     14.82769830     14.12952644    -14.42740536
  O     14.94725980     13.18375727    -14.43741331
  H     19.34197798      7.03099883    -16.60542801
  H     13.93056655     10.01362932    -17.13033586
  O     13.41778779      9.88483016    -16.32466385
  H     14.77968297      6.05265028    -15.28245625
  H     14.07037921      9.67523871    -15.63791646
          69
 Energy    -249.60870227058157     
  O     12.77962042      6.20906243    -15.43012740
  H     13.06989923      6.02362411    -14.52042548
  H     19.65293964      2.67909162    -15.13350685
  O     17.84589701      5.93572104    -11.25463866
  H     11.84113497      6.03919802    -15.45642372
  H     21.09803345      7.55170759    -17.93523446
  O     19.08510694      4.67070019    -17.51695854
  H     17.41922337      6.01232855    -10.38887424
  H     20.37034498      7.45716495    -16.56969079
  O     16.57891869      5.47742571    -18.68873179
  H     17.76423099      6.80312403    -11.67740201
  H     17.13161302      7.09901389    -15.79714495
  O     14.10142155      8.01649373     -9.65201135
  H     18.24680536      4.84955093    -17.95873027
  H     16.64159389      5.88114134    -14.94273970
  O     13.75076707      5.90145581    -12.87315594
  H     19.59163626      5.49256096    -17.55634011
  H     14.28408483      3.03813077     -9.04223666
  O     17.39700079      8.23489606    -12.70571468
  H     15.87889412      5.18652963    -18.07704601
  H     13.84490104      4.33652903     -9.76196946
  O     16.42810441      4.04174967    -14.77217622
  H     16.28800829      5.24815630    -19.56711138
  H     13.75189113      7.91086790    -15.36303303
  O     12.70910860      5.59830880    -10.24776859
  H     13.90997687      8.81658352     -9.16862039
  H     15.24806404      7.91108639    -15.03904425
  O     20.28018746      7.88912347    -14.94203524
  H     14.27484899      8.28203219    -10.57022185
  H     19.22442049      5.63227869    -12.56171348
  O     14.74015396      4.68373212    -16.88229344
  H     14.08480192      6.78512860    -12.66851103
  H     19.56993729      4.89711240    -13.87930224
  O     19.12511982      3.47233201    -15.10121845
  H     14.46337502      5.28436406    -12.65759231
  H     16.57902367      4.79391906    -11.83632520
  O     20.31156102      7.21762714    -17.51456746
  H     17.24345300      7.68306896    -13.49087883
  H     15.45720945      3.88505405    -11.26807189
  O     16.72131186      6.84173103    -14.96182219
  H     17.89300048      9.00033659    -13.01771042
  H     15.53798614      6.78721286     -9.16947784
  O     14.60175749      3.74763066     -9.59380320
  H     16.19952705      3.95447983    -13.83686513
  H     15.71724039      5.26297624     -9.07847180
  O     14.46760392      8.48805675    -15.07602728
  H     17.34057914      3.74025676    -14.87333898
  H     15.81597005      9.74746481    -15.76151301
  O     19.77226874      5.67979251    -13.35403681
  H     13.04432434      6.43931856     -9.91058936
  H     16.99060550      9.36679709    -16.67584062
  O     15.83852730      4.22072315    -12.08786606
  H     12.84575868      5.64292866    -11.20328636
  H     14.45177139      8.72132424    -13.20869617
  O     16.20034644      6.09757418     -9.04253937
  H     19.80393367      8.66222297    -14.62423439
  H     15.66986516      8.46838218    -12.30509395
  O     16.69108756     10.03709121    -16.04453163
  H     20.11767206      7.16248461    -14.32132059
  H     19.02148525     11.08626592    -14.12606322
  O     14.70130552      8.51291342    -12.29877080
  H     15.26391030      4.32095106    -16.15307922
  H     17.97984216     10.20534945    -14.85576778
  O     18.68726459     10.19569310    -14.18656659
  H     14.03846950      5.20381398    -16.47550400
  H     17.16494414      7.09327241    -17.99789409
  O     17.57428281      7.80117189    -17.48353373
  H     19.16034035      3.87157281    -15.98958390
  H     18.53069542      7.69212575    -17.56893928
          69
 Energy    -249.60845740475503     
  O      0.77316506      0.77659662      2.71631839
  H      1.30574897      0.50871889      1.95457165
  H     -2.39631206      0.20647681      6.78691242
  O     -2.77248533     -0.69853157     -3.46181691
  H     -0.14828352      0.76128934      2.41476741
  H      0.02710144      3.78679428      1.69879864
  O      0.27543961     -0.96370057      4.86114812
  H     -2.51582980     -1.59455515     -3.20952089
  H     -1.09857846      4.03254888      0.67444235
  O     -4.41896710     -0.33203903     -1.26316672
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  H     -1.80170559      1.34597491     -1.37840830
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  H     -0.48980440     -0.55233084      5.28358969
  H     -2.49101802      1.10486320      2.25237840
  O     -3.88465978      2.35734000      2.58596291
  H     -4.01924842     -0.40220383     -2.14315552
  H     -1.91435494      0.93938872      0.84459211
  O     -3.26468658     -1.93990914      4.21433187
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  H     -2.72584479     -2.49201934      0.51244572
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  H     -4.23170998     -2.66220189      0.76195089
  O     -0.47119657      0.69045424     -2.38387282
  H     -2.66940897     -3.13704253     -1.47587581
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  O     -2.98642804      3.97284645      0.41822952
  H     -0.45670834     -2.30077720     -1.58865006
  H      1.78717364      0.92458984     -0.20229527
  O     -2.15960352      0.10307714      5.86883062
  H     -0.29032498     -1.80164963     -0.15325143
  H     -2.83335090      2.58499805      4.04744938
  O     -0.14936669      3.88307723      0.75525793
  H     -4.52410370      1.74874481      2.18519576
  H     -1.33842168      2.90745391      4.32082117
  O     -2.51046669      1.58724666     -0.76845903
  H     -3.66015855      3.01455718      1.91549055
  H      1.90795582      3.11586744     -1.48330971
  O     -1.80650027      0.64089882      1.75754496
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  H      0.75846950      3.00936698     -0.45669476
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  H     -2.99153457     -1.20384873      4.77519927
  H     -0.28479262     -2.45676874      4.22103993
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  H     -0.29800068     -4.00340060      4.12426403
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  H      1.06083003      3.71597622      4.03811437
  H     -1.48926977     -1.10991547      1.60389833
  O      1.26416813      2.51133721     -1.12293510
  H     -0.23616306     -0.13506877     -1.93429268
  H     -1.00115687     -2.49032723      2.15221037
  O     -0.73130868     -3.21753710      3.80484088
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  H     -5.92817062     -2.62947120      2.72353789
  O     -1.23961331     -2.01109730      1.35013707
  H     -2.86126505      3.15297703     -0.09342279
  H     -4.50945614     -2.08899619      3.01523717
  O     -5.18347020     -2.19161761      2.31936661
  H     -3.49828387      4.56420886     -0.12792922
  H     -5.41660403     -0.39570230      1.70605234
  O     -5.43283689      0.47890885      1.29823027
  H     -2.16136282      0.99581665      5.48036197
  H     -5.26764543      0.32466443      0.36050293
          69
 Energy    -249.60798346794010     
  O     -1.64714932     -2.15486646     -1.20018152
  H     -1.88441951     -1.26674844     -0.90644663
  H     -0.76366606      2.11504621     -4.56992690
  O      0.14618067      1.87208939     -1.62985119
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  O      2.52333535     -2.83331493     -0.43175378
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  H      2.48843539     -3.16240063     -1.33930173
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  H      2.98248405     -1.98646123     -0.46283200
  H     -2.15171823     -1.39052907     -5.35775459
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  H     -2.93958337      0.67048648     -1.97698632
  H     -0.96326766     -2.13405819     -6.06678133
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  H     -0.32171607     -1.55100876     -4.04149651
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  H      0.75189946     -0.99385328     -3.04838302
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  H      0.93919844     -6.99741571     -2.36291109
  H     -1.19785810      0.96370465     -0.78873568
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  H      0.97950326     -2.92036800      0.40588916
  H     -1.56989468      0.24502020      0.52384176
  O     -1.28696345      2.62456130     -3.92495171
  H     -0.53252657     -2.70433024      0.06095523
  H     -0.35391194     -4.23605733     -7.38467322
  O     -3.81095177     -1.34058923     -4.54223773
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  H      3.51452337      0.18592975     -6.03061900
  H     -2.64574747     -3.21550303     -2.30948114
  O     -1.22842157     -1.31384577     -5.63065304
  H     -0.44916822     -4.66916418      0.27247559
  H     -3.43857123     -2.97228336     -3.59243598
  O      0.11719536     -1.70752564     -3.19647402
  H     -1.73400408     -5.24615766     -0.33535453
  H     -1.84243396     -4.63189709     -3.98668228
  O     -1.91347065      0.48276259     -0.34554002
  H      2.94560061      0.27021672     -0.03314470
  H     -0.56813558     -5.50022282     -3.83328281
  O     -0.20417984     -3.71563819     -6.60050734
  H      4.47128725      0.08090506     -0.21858742
  H     -0.23544956     -1.39138886      1.61607213
  O     -3.06062599     -3.67618157     -3.05175095
  H      1.03309002      0.82630187     -5.67545138
  H     -0.65210838     -0.56836276      2.85488812
  O     -1.12941475     -5.06187495     -4.48144590
  H     -0.40373607      0.28486676     -5.76678010
  H      1.51407731     -3.05271269     -6.07219779
  O     -0.45093619     -0.49532935      1.92525857
  H      2.43702050      0.21403182     -3.69034644
  H      2.38189892     -3.13338671     -4.80456581
  O      2.31443883     -2.69942851     -5.66601001
  H      2.71845001      0.05233207     -2.14908976
  H      0.94119187      0.57997669      1.18925682
  O      1.58848554      1.09354744      0.69103587
  H     -1.49542650      3.45833766     -4.33754163
  H      1.09283394      1.54974551     -0.00160644
          69
 Energy    -249.60773257701180     
  O     16.61598859      6.14849498    -12.66387244
  H     15.98449087      6.67069363    -12.15120020
  H     14.71299533      9.43549412    -17.41720403
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  H     17.50291505      6.51006310    -12.51909366
  H     17.00899236      7.73268524    -15.50221102
  O     16.47167532      6.70981431    -18.43030991
  H     18.13320106     10.09106225    -13.74316848
  H     16.44990080      7.22901553    -14.13321732
  O     15.28881419      4.95062955    -16.72847749
  H     19.47500940      9.91545925    -14.47296649
  H     12.53078130      8.98168967    -13.42790560
  O     16.63342046     11.18237947     -9.92350772
  H     16.04742817      6.03662165    -17.87016029
  H     13.39695151     10.22100619    -13.15323935
  O     14.75626441      7.75999208    -11.42230455
  H     16.44853513      6.37777078    -19.32394654
  H     18.28671550      7.96623070     -9.63598179
  O     16.43145978     10.46733019    -14.26407187
  H     14.59843390      5.50219568    -16.33625263
  H     19.65552361      7.52424468     -9.06435503
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  H     15.80074905      4.59475050    -15.99188841
  H     11.78153875      6.49435311    -12.97244421
  O     16.60776218      8.37428374     -9.36524164
  H     17.52504108     11.04237029    -10.29005247
  H     12.94268542      6.91230679    -13.90451457
  O     18.45974825      7.52735866    -16.65702659
  H     16.68382847     11.95389522     -9.36566868
  H     20.54878245      9.91751745    -16.87406868
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  H     13.94421053      7.44086613    -11.83401948
  H     19.32507297      9.04371072    -16.51164503
  O     15.55541556      9.44185450    -17.88693976
  H     14.82038547      8.70124850    -11.64417340
  H     19.30140015      7.35335614    -11.63012414
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  H     19.13693612      8.10999146    -12.97342116
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  H     16.26133891      9.54551199    -14.50839056
  H     19.29725405      9.68700370    -10.48774960
  O     19.23033463      7.85410372     -9.85119420
  H     18.49837011      4.95683031    -14.79365909
  H     19.19151159     10.41535470    -11.84034711
  O     12.55226858      7.05369048    -13.02556837
  H     19.33976318      6.04484853    -14.08207358
  H     12.33879503      9.96593708    -16.92016115
  O     19.76000513      9.89737984    -16.33865150
  H     16.54156717      9.33676576     -9.41482364
  H     12.95831776      9.71989400    -15.52798466
  O     19.14342697      7.22766005    -12.57469425
  H     15.90684741      8.03565206     -9.93586103
  H     15.40287546     10.83084935    -11.29447058
  O     19.09245322     10.54094745    -10.88726251
  H     18.80241879      6.77621078    -16.14776044
  H     15.46380649     10.57458520    -12.82471945
  O     13.01823023      9.47255651    -16.46757270
  H     17.89102506      7.19963710    -17.36492444
  H     18.13542804     10.96098964    -16.71193490
  O     14.90449784     10.47149381    -12.03735568
  H     16.74833832      3.22904121    -14.02259502
  H     16.69448053     10.70758653    -17.22359745
  O     17.24305442     11.32432157    -16.71414384
  H     16.64924793      4.74557305    -13.73874228
  H     13.33484210      7.70196788    -15.98105217
  O     13.73323141      6.95605278    -15.51444708
  H     15.77185791      8.52471257    -18.08535224
  H     14.63827373      7.24293920    -15.30832080
          69
 Energy    -249.60753488955399     
  O     17.80985384     11.68796320    -18.79304509
  H     17.96993105     12.27435446    -19.52688725
  H     20.48685695      9.89832596    -16.42054502
  O     16.59656614      5.77767794    -13.08322218
  H     16.96199591     11.95579235    -18.39326483
  H     16.86058613      9.44150924    -14.75270773
  O     18.08532798     12.04994804    -12.21518228
  H     16.99628645      6.02762904    -13.92806196
  H     17.93094091      8.35921749    -15.07133109
  O     21.77298055      8.54872125    -13.83800873
  H     16.02940644      6.50812005    -12.80943223
  H     15.42456004     12.67266050    -16.72367089
  O     14.43775153     10.50617147    -10.66086678
  H     18.26632216     12.62737172    -12.97229185
  H     15.08412181     11.31464854    -17.39599913
  O     15.44292053      8.19432400    -12.03667640
  H     18.65561811     11.27816413    -12.33598168
  H     18.57566066      8.77826547    -11.51986601
  O     18.35341743     13.33562601    -14.62162796
  H     22.70928219      8.71065629    -13.76365832
  H     18.27893292      7.40385687    -10.86661043
  O     20.28779889      6.11767848    -13.63303090
  H     21.53219807      8.71439538    -14.76813637
  H     14.75162939      9.46132353    -16.11462942
  O     15.08152438      9.59482379    -14.38118221
  H     13.81727255     10.64900942     -9.95168027
  H     13.84833133      9.04558762    -17.29649772
  O     18.17296149      6.59963043    -15.28612954
  H     15.33017213     10.62454492    -10.28423882
  H     17.40831840      9.90421209    -10.04627186
  O     18.66014321      5.63377731    -11.30967919
  H     14.93253879      8.84105295    -11.53492924
  H     17.44403683     11.36674400    -10.53385468
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  H     20.33439484      9.38975799    -13.03001310
  O     17.79999728      9.30545795    -14.91604374
  H     18.72425159     12.68728964    -15.23591945
  H     18.88020134      9.57363219    -13.53383325
  O     15.47060673     12.18471164    -17.55522930
  H     17.45925469     13.51804166    -14.92917629
  H     16.33551938     11.95218503    -12.66572899
  O     17.99693371      8.32605278    -10.88753183
  H     20.86280358      6.89129189    -13.58758164
  H     14.92493141     11.55957342    -12.14924637
  O     14.66814807      9.48456814    -17.08215526
  H     19.91396381      5.98048513    -12.75450764
  H     19.40322640      6.77365317    -18.57434682
  O     17.01308293     10.77542438     -9.90273641
  H     15.14503148      8.96805467    -13.64683314
  H     18.43395325      7.87538982    -18.08395593
  O     19.46028294      9.69952821    -12.76692629
  H     15.12925103     10.47216666    -13.97782907
  H     15.07941351     14.43994226    -14.92313956
  O     15.39601285     11.92844009    -12.90616314
  H     18.95146231      6.37807986    -14.74864435
  H     15.36256702     13.05861474    -14.29599282
  O     19.16676375      7.29440544    -17.81138476
  H     18.47485988      6.67214657    -16.19944706
  H     18.62714668     10.56554205    -15.92596585
  O     15.47898697     13.59097665    -15.09961770
  H     17.90633862      5.58294807    -11.92576662
  H     18.77332428     11.41608098    -17.22351523
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  H     18.66066616      4.82271151    -10.80859572
  H     16.30483135      9.03830970    -18.01086998
  O     17.13871684      8.95224521    -18.48672427
  H     20.42747372      8.42610137    -16.87522268
  H     17.40677006      9.85167847    -18.71379405
          69
 Energy    -249.60729736891875     
  O     -1.18750256      1.59927377      3.91784246
  H     -1.50232444      1.25016744      4.74740266
  H     -2.15680783      6.61715273     -0.10398406
  O     -3.82610734      0.68616908     -2.22784652
  H     -1.51062897      2.51646958      3.85831990
  H     -1.12787236      3.93343407     -1.84297891
  O     -2.63372813      2.41654496     -4.18203526
  H     -3.91047375      1.22824978     -1.43401886
  H     -2.31554906      3.54651344     -2.76361062
  O     -4.17753746      4.65943972      1.69862774
  H     -3.57484568      1.29156825     -2.93732126
  H      0.80587690      2.71435742      1.63758869
  O     -0.15883378     -0.44978795     -0.52132811
  H     -1.84984435      1.83741928     -4.19162137
  H     -0.57847034      2.49112308      1.01995141
  O      1.46524455      1.16462268     -2.12669761
  H     -2.85217989      2.60113828     -5.09123417
  H     -3.05124825      3.01940964     -0.69752345
  O     -0.56470124      7.50634619      0.27164069
  H     -5.02083779      5.05875901      1.89556571
  H     -3.93663265      3.17668846      0.56366462
  O      1.56167509      1.64894300      2.96609633
  H     -3.74709192      5.22630473      1.03171152
  H     -1.40627652      4.75399710      3.31365503
  O     -1.97272574     -1.28793341     -2.49366855
  H     -0.74823382     -0.87323184     -1.15628394
  H     -2.84608587      4.30329121      2.99757345
  O      2.06257447     -0.38719346      1.19836665
  H     -0.72279369      0.02987980      0.10403887
  H     -1.66071518      1.11534553      2.16823389
  O      2.70744061      5.71310729      1.79054065
  H      2.32990589      1.18359459     -1.69776394
  H     -2.46722745      1.48223266      0.85993947
  O     -2.91987879      6.04332573     -0.24011814
  H      0.89588712      0.62729128     -1.55508091
  H     -0.06111328      4.75120211      1.81758317
  O     -2.09071553      3.97221592     -1.92706716
  H     -0.47451651      8.45421627      0.22397293
  H     -0.31374502      6.28521655      1.68180233
  O      0.14133085      3.13142563      1.07350169
  H      0.19459509      7.12711464     -0.20648499
  H      1.34882120      5.43278500     -1.20967343
  O     -3.59550651      2.52795367     -0.06317904
  H      1.70216578      0.83861599      2.44794325
  H      2.13869621      6.08417305     -0.04954610
  O     -2.09664013      4.13475341      3.58215361
  H      0.71077261      1.56953242      3.41023318
  H      0.53083893      3.57735010     -0.58321677
  O     -1.69195204      1.01971820      1.20821855
  H     -2.38904892     -2.11290236     -2.72761792
  H      0.97682917      2.92348995     -1.90035894
  O     -0.03108889      5.59600911      2.29655935
  H     -2.68732835     -0.64105018     -2.35363397
  H      0.24156821      0.87191248     -3.52900387
  O      1.58908290      6.28375245     -0.81661263
  H      2.72647848      0.00836365      0.62101590
  H     -0.96006504     -0.09122504     -3.61614445
  O      0.64845704      3.75228068     -1.53038954
  H      1.30613458     -0.58050184      0.62843991
  H      3.00498015      2.55557139      2.20692592
  O     -0.55985618      0.68196265     -4.03378413
  H      1.78780999      5.70128070      2.10109230
  H      3.32466595      3.93365853      1.58627870
  O      3.54111120      2.99608203      1.53283127
  H      3.18106217      6.31195406      2.36350694
  H      3.72655022      1.90664542      0.17183539
  O      3.77320929      1.21327664     -0.51006401
  H     -2.66766941      5.41877962     -0.93416119
  H      4.69947886      1.05794168     -0.67587328
          69
 Energy    -249.60684252173479     
  O     -0.53396523     -6.41624916      3.04817410
  H      0.41721279     -6.60374862      3.03600628
  H      1.31815978     -3.48752030      2.22265469
  O      1.67160040     -6.05327902      6.31934581
  H     -0.95737306     -7.11898438      3.55729115
  H     -1.30007911     -5.40729516      0.20550345
  O      2.18736017     -8.83101642     -1.25805941
  H      2.56339446     -6.00758853      5.94525143
  H     -0.83449890     -6.39847350      1.28612669
  O     -1.48326157     -3.47926060      0.28688285
  H      1.24817150     -5.21891721      6.09035694
  H     -0.89488265     -3.48802050      2.12127951
  O      0.69356508     -3.46554542      5.46666610
  H      2.39128467     -9.36001060     -2.02509132
  H     -0.52301124     -4.66964210      3.04511327
  O      5.84252757     -7.64656363      3.61722031
  H      2.93484815     -8.93305261     -0.64249747
  H     -0.73044140    -11.32975559      2.29266377
  O     -0.24194198     -9.04973351      0.21574674
  H     -2.10191046     -2.90908965     -0.16137915
  H     -0.31845982     -9.98032813      1.66017261
  O      4.61109993    -10.20368943      3.01927320
  H     -0.61311690     -3.32942476     -0.12498509
  H      2.20616324     -7.96992652      2.99027278
  O      0.96275194     -8.64890787      6.12248395
  H      0.23106965     -2.82918453      6.00746347
  H      2.59792370     -6.72650474      2.09958287
  O      1.47005383     -6.11049094     -1.08236796
  H      0.24569809     -3.46995691      4.60589881
  H     -0.65435162     -8.66397910      5.10717252
  O      3.37710075     -3.23205181      4.37795851
  H      5.50257255     -8.54094591      3.49867680
  H     -1.11748186     -9.32454097      3.79483879
  O      2.21956740     -3.34730973      1.90545015
  H      5.96426650     -7.29948018      2.72451966
  H      1.73952122     -9.36971707      4.61129919
  O     -0.94247915     -6.29389247      0.32814882
  H      0.57291304     -9.03151929     -0.30100832
  H      1.26339884    -10.05471076      3.29768571
  O     -0.41600606     -3.71133165      2.92728296
  H     -0.62091244     -8.16411589      0.15981588
  H      4.39789717     -9.54594050      1.26361492
  O     -0.31578755    -10.49380458      2.48815762
  H      4.91780051    -11.05001086      3.33459951
  H      4.89434252     -8.30769712      0.50108409
  O      2.11331413     -7.01627061      2.88240556
  H      3.69999354    -10.09631122      3.34132873
  H      6.48967661     -6.19832225      0.44444827
  O     -1.34659148     -8.63814533      4.43384277
  H      0.99219466     -9.00440848      7.00690276
  H      5.00369932     -6.23349239      0.87352711
  O      2.03917772     -9.70144466      3.75354097
  H      1.18000430     -7.70235251      6.19951554
  H      3.06115425     -4.78733873      1.25303189
  O      4.27921199     -9.04981922      0.44526515
  H      0.63122848     -6.17811704     -0.60204287
  H      2.77887921     -5.78972734      0.10142346
  O      5.84090813     -6.72992103      0.89791797
  H      1.72787434     -7.01354858     -1.30543960
  H      4.71204392     -6.49510589      4.49071551
  O      3.37911727     -5.60037354      0.83521521
  H      3.73332987     -4.11846958      4.53165409
  H      3.24228933     -6.26113699      4.11525844
  O      3.93738385     -5.96628079      4.72174341
  H      2.54835142     -3.20048349      4.87082969
  H      1.58381837     -3.15752830      0.11319335
  O      1.04882444     -3.29232891     -0.68110079
  H      2.74950413     -3.18192783      2.69939276
  H      1.28914464     -4.16298709     -1.02149681
          69
 Energy    -249.60505744154219     
  O     13.75276245      3.96300832    -11.71653129
  H     13.43146992      3.05539898    -11.72137093
  H     10.96799018      6.54468726    -15.36522909
  O     12.38997357      1.46123176    -11.28478228
  H     13.08287850      4.46197696    -11.22212635
  H      6.67702219      3.21646491    -10.34219862
  O     10.06775388      4.63465498    -12.48729332
  H     12.43229454      0.60157504    -11.69691949
  H      7.25062596      2.48089646     -9.12594857
  O     14.91577618      7.52602715     -9.12547306
  H     11.44726928      1.68844481    -11.22098098
  H      7.55002449      6.26105982     -8.19069358
  O     13.39654663      6.03191409     -7.16457619
  H     10.29038551      5.13494787    -13.28096918
  H      6.44165988      5.39814104     -8.82465532
  O      9.78054292      2.33788196    -11.00948341
  H     10.68122553      4.94171666    -11.79879638
  H     11.49758547      5.50475617     -9.64242769
  O     10.23293508      2.91903219     -8.26703811
  H     15.21641039      6.65021026     -9.43252429
  H     12.17368047      6.35745039    -10.75730532
  O     13.42256877      6.30929236    -13.36169595
  H     15.69886937      8.02090616     -8.89935922
  H     10.64580676      4.66091580     -7.94909825
  O     10.58107204      9.19567979    -10.35572227
  H     13.89662106      5.20564320     -7.18857688
  H     11.69993442      5.76967977     -7.56982156
  O      8.03230391      6.25185131    -11.55588521
  H     13.87173672      6.64090626     -7.74156663
  H     12.83670799      1.77499994     -9.43903953
  O      7.61972663      3.01511172     -7.29690288
  H      9.84087818      3.08393902    -11.62369756
  H     11.97564869      2.28633833     -8.27190719
  O     10.93429395      6.49819359    -14.41345338
  H      8.84518191      2.24533331    -10.77524658
  H     15.09524153      4.60046410    -10.57205461
  O      7.19359767      2.44197482    -10.08850714
  H     10.08531283      2.76123463     -9.20989033
  H     15.43894583      4.47792446     -9.07310050
  O      6.92892262      5.54899512     -8.00364222
  H      9.37058679      2.86155790     -7.83592106
  H      6.58283469      5.45612237    -10.99657354
  O     11.78280253      5.49509197    -10.56315193
  H     13.65949185      5.46687212    -12.95410926
  H      5.06192060      5.17472639    -11.03481865
  O     10.83405994      5.60853644     -7.97478914
  H     13.41489298      6.96575232    -12.65146347
  H     13.64761485      7.92470609    -10.38019319
  O     12.87922428      2.04355518     -8.51433007
  H     10.37752187     10.07240781    -10.03814616
  H     12.24326664      8.48543264    -10.80331770
  O     15.59472748      5.01836098     -9.85882179
  H     10.02415889      8.58315155     -9.84710549
  H     14.14780852      3.01301474     -7.87100731
  O      5.86627723      4.95013273    -10.57461682
  H      8.29228980      7.05588668    -12.02815087
  H     15.34327484      3.09619739     -6.89384821
  O     12.98482258      7.93448691    -11.08509118
  H      8.65034870      5.57097596    -11.85466886
  H      9.92440416      7.79463788    -13.38330495
  O     14.84091131      3.60382392     -7.52519398
  H      7.38748837      3.94595670     -7.46502681
  H      9.83936545      8.69223558    -12.12152498
  O      9.31609137      8.30267390    -12.83112762
  H      7.16860393      2.75833585     -6.49747389
  H      8.69278396      6.86335172     -9.90476105
  O      8.99721661      7.30020130     -9.09697128
  H     11.85577838      6.44208874    -14.10340967
  H      9.63370382      6.71411687     -8.65651735
          69
 Energy    -249.60461376085368     
  O     15.98157372      8.89065614    -16.22672341
  H     16.42408960      9.01027558    -17.08047260
  H     20.12705704      4.10159307    -16.39883784
  O     13.21828438      4.87159151    -16.14849049
  H     16.52787882      9.33124755    -15.56421760
  H     19.49736763      6.11808906    -17.89581099
  O     17.85671481      5.96511240    -13.22845181
  H     12.35139353      4.72855214    -16.51809499
  H     18.39453285      6.64559037    -16.94958993
  O     19.99747517      4.36038072    -18.30487380
  H     13.33217271      5.83651240    -16.06598709
  H     17.31460443      6.21320700    -14.94810336
  O     17.88169183      2.65860609    -18.04703735
  H     17.49226638      5.10371208    -12.98638980
  H     16.56106145      7.17549708    -15.92625889
  O     12.99738147      7.03786112    -10.32160400
  H     18.81924306      5.90348532    -13.26724244
  H     14.30845359      8.07978379    -15.99262910
  O     14.11107346      4.67637253    -13.46431213
  H     20.63207772      4.01320007    -18.92630282
  H     13.60535706      7.58057236    -14.72231864
  O     16.61953731      8.21662253    -12.35423816
  H     19.23504314      3.75571330    -18.31829140
  H     16.44740168      3.96146097     -9.06467490
  O     17.59203322      2.69620590    -15.04871159
  H     17.07619874      3.16359066    -17.85674228
  H     16.07487273      5.21656133     -9.88808712
  O     13.33931830      4.37467963    -10.76035915
  H     18.03391453      2.15578130    -17.24199002
  H     21.37666596      5.69609033    -13.17876091
  O     19.86474008      8.26651065    -15.14728345
  H     12.22234986      7.25326057     -9.81069866
  H     20.47153794      5.20004332    -14.33517818
  O     20.05218572      3.97916404    -15.44672760
  H     13.01252010      6.06870185    -10.41987422
  H     15.67443107      3.92240993    -12.96283684
  O     19.11445075      6.92636847    -17.53721218
  H     13.76500162      4.58230296    -14.35864090
  H     16.45634094      3.69770345    -11.64494826
  O     17.01292428      6.32429800    -15.85873421
  H     14.13703146      5.62758468    -13.28412444
  H     14.88712438      7.10802458     -9.93579451
  O     13.58504500      7.51793703    -15.68741794
  H     16.99496372      8.91436429    -12.90249733
  H     16.19558014      7.49564351    -10.64923906
  O     16.08208309      4.24264642     -9.89922884
  H     17.08119914      7.40288371    -12.61400554
  H     14.88699057      4.20604171    -16.70825761
  O     20.59848482      5.91491695    -13.68311022
  H     17.28475915      2.82378555    -14.14244274
  H     16.25524324      4.89128939    -16.53735563
  O     16.52469987      3.62277374    -12.60489966
  H     16.91929086      3.10783113    -15.60845742
  H     14.90481228      7.76865033    -12.75960930
  O     15.84097438      6.95877381     -9.92912645
  H     14.20511845      4.17869799    -10.38089597
  H     13.55702645      7.41841365    -12.07428801
  O     15.83215974      4.06887895    -16.83047157
  H     13.45886165      4.32003138    -11.71830513
  H     18.58038891      9.31786359    -14.59064852
  O     14.01532649      7.42443739    -12.92315903
  H     19.74652126      7.89669687    -16.03167741
  H     18.15546838     10.76859357    -14.27035847
  O     17.83209434      9.87195973    -14.30415308
  H     20.20557494      7.54322682    -14.60781196
  H     18.14969508      8.27450615    -18.30369860
  O     17.50690858      8.96645012    -18.52698904
  H     19.22247056      3.50599087    -15.28983289
  H     17.46262497      8.98910872    -19.47951689
          69
 Energy    -249.60451207577418     
  O     16.43387774     11.90412149     -8.77925097
  H     16.94536521     11.55476681     -9.51906359
  H     14.99734354      7.49967116     -5.53405066
  O     16.44244541      3.02761367     -7.28788773
  H     17.04948109     11.92456061     -8.03586038
  H     15.42039421     11.34691666    -12.26613672
  O     19.91814796     10.56298838     -8.89244905
  H     16.34785554      2.07929686     -7.28474471
  H     15.91340546     11.44775603    -13.72974998
  O     14.23458326      4.35782120     -6.41478268
  H     15.59811381      3.39697797     -6.97209380
  H     17.08537778      5.91261805    -10.91246875
  O     14.16342917     10.52924437     -7.59101204
  H     19.38257218     10.68297946     -9.68741295
  H     16.95841275      7.42695077    -10.84284848
  O     17.96237209     10.60554099    -10.95487888
  H     20.28832383      9.67410098     -8.95040543
  H     17.41634170      4.24214588     -6.15709462
  O     20.80779521      7.86181438     -9.33637614
  H     14.12460921      4.99505418     -7.13530496
  H     18.25737039      5.52388419     -6.29684048
  O     15.06919893      8.19865320    -12.74714242
  H     14.51537184      4.87756914     -5.65219300
  H     11.54722234     10.74772806     -9.41020138
  O     14.48828560      6.31178909     -8.40551894
  H     14.37533936      9.75637795     -7.05382556
  H     12.97803030     10.55662798     -8.84259936
  O     17.38508735      8.78450257     -7.03678917
  H     14.99101745     10.91657073     -7.90105770
  H     16.77107296      8.73250574     -8.75137122
  O     18.40723819     11.39669126     -6.81872137
  H     17.43703453     10.83079141    -11.73311717
  H     15.56331330      8.64927137     -9.76001498
  O     14.85388263      8.08148253     -6.29141625
  H     17.47198197      9.89697590    -10.50151567
  H     19.59000278      6.91241995     -8.26052030
  O     16.01766468     10.94741361    -12.92454241
  H     21.72192544      7.63315366     -9.48503110
  H     18.36544489      7.36534800     -7.43773775
  O     17.14970096      6.70303787    -11.46117589
  H     20.38886979      7.92197743    -10.21351717
  H     17.62388729      5.59359937     -8.72032385
  O     17.73191289      5.01264068     -5.66828805
  H     15.44832102      9.07371294    -12.89164542
  H     16.80951733      4.27770898     -8.65858763
  O     12.44374305     10.54187735     -9.65912098
  H     15.80209839      7.60386733    -12.54073408
  H     13.25649637      8.94657754    -10.17367043
  O     16.52341619      8.72214132     -9.68358510
  H     14.12415356      6.86046383     -9.11361410
  H     14.12189800      8.16765904    -11.22528435
  O     18.84320053      6.58117288     -7.74892793
  H     15.31939207      5.93739376     -8.72805496
  H     19.08623731      9.07131026    -11.66949111
  O     16.92930008      5.08833859     -9.16776267
  H     17.67320532      9.67622021     -6.81156120
  H     18.75872312      7.56799267    -11.75637710
  O     13.83513262      8.18617394    -10.29952612
  H     16.52590362      8.60902464     -6.62839664
  H     16.35594318      5.72873037     -4.84442508
  O     19.49073791      8.19781710    -11.68630536
  H     18.89021362     11.90615209     -6.17431795
  H     15.58728489      5.94893164     -3.52049564
  O     15.52480182      6.06651620     -4.46452435
  H     19.04101227     11.13931907     -7.51454475
  H     15.06021373     12.17777145    -10.14419542
  O     14.51972394     12.00503679    -10.92440202
  H     14.67879288      7.49530188     -7.04385673
  H     13.72274484     11.56776247    -10.59965759
          69
 Energy    -249.60336348262553     
  O     -0.33277491      0.90493773      1.98078165
  H     -0.27559570      0.09817653      2.51168092
  H      0.54041106     -1.76762936      2.87817333
  O     -0.88149480     -2.30079344      0.13615676
  H     -0.28160236      1.63693974      2.60799447
  H      3.30793760      1.58307043      2.85395050
  O      4.08735356     -1.35842406      2.81281936
  H     -0.66027267     -1.69424800     -0.58671756
  H      4.14407355      2.09203345      1.65252581
  O     -3.26827545     -1.71285560      1.26434916
  H     -0.04296763     -2.52355590      0.55172365
  H      0.86672537      4.26261968      1.39409126
  O      1.69495879      3.45502669     -0.09581713
  H      4.11983008     -0.43273630      2.51979070
  H     -0.40231867      5.07182747      1.73586496
  O     -0.03227261     -0.38289937     -1.69323752
  H      4.99101753     -1.65937342      2.87160655
  H      2.16322332      4.96610376      3.00030258
  O     -2.61434847     -0.63637726      3.85376860
  H     -3.88486311     -2.41599270      1.08031950
  H      3.57492778      4.59034491      2.52086245
  O     -2.04727161      5.30176469      0.88593546
  H     -2.41286184     -1.98401978      0.88246586
  H     -1.19071545      4.54871426     -0.65346476
  O     -2.86157255      2.00563917      4.48605239
  H      1.67988234      2.49107237     -0.08259188
  H     -1.11618005      3.33354882     -1.61198617
  O     -0.20421825      2.79147587      3.98630479
  H      0.93972030      3.74192770     -0.63267413
  H      2.45106014      0.46074631      4.91704883
  O      1.70954976     -2.07663596      1.40098928
  H     -0.62976630      0.34015856     -1.91677698
  H      2.99627370     -0.87998579      4.38939272
  O      0.08207238     -1.32202894      3.60090593
  H      0.69372680      0.01483208     -1.19744493
  H     -3.06446084      0.03846611      0.70530859
  O      3.79623641      1.29358986      2.06704639
  H     -2.95135899     -1.02183664      3.03669780
  H     -1.84758163      0.93524753      1.01054194
  O      0.41892045      4.73078595      2.11208716
  H     -1.71461411     -0.98050891      3.94257883
  H      2.52456252      0.80431564      0.84329500
  O      3.05536234      4.76928501      3.31358356
  H     -2.56527464      4.57862986      1.28301660
  H      0.97038298      0.74268772      0.86162022
  O     -0.63140916      4.11089496     -1.30687475
  H     -2.61383670      6.06823808      0.86459174
  H     -2.71007209      1.60865749     -2.59982952
  O      2.32447276     -0.49619088      4.96471982
  H     -3.35278325      2.06058250      5.30166109
  H     -2.31463641      1.42498382     -1.11447715
  O     -2.68891268      0.90948974      0.52858004
  H     -2.79481873      1.05897096      4.26645070
  H      1.51810667      2.34487984      4.31615164
  O      1.75024828      0.63492646      0.28945091
  H     -0.12074627      3.57365788      3.42115332
  H      2.81659667      3.14503372      4.14286071
  O     -1.98834405      1.71326872     -1.98433225
  H     -1.12650155      2.66526944      4.23915883
  H      4.82884697      4.23962137      0.23447955
  O      2.48170424      2.25251558      4.31095266
  H      2.54466611     -2.05159443      1.88501485
  H      3.36327519      3.78276572      0.42240994
  O      4.23836356      3.80883038      0.84714303
  H      1.71159968     -1.27148258      0.86879552
  H     -3.27958824      2.42882841      1.40178422
  O     -3.37371540      3.20989652      1.96327138
  H      0.77563844     -1.03233222      4.21270263
  H     -3.30072924      2.88258252      2.86753469
          69
 Energy    -249.60295577993102     
  O     -2.37580009      4.81473575      3.43932845
  H     -2.55752781      5.73125508      3.19885160
  H      1.53374713      3.55825541      1.35147914
  O      2.30931798     10.08544478      1.03518622
  H     -2.57608370      4.26483373      2.67003617
  H     -1.35138931      5.85587161     -3.20153023
  O     -0.72328180      8.36279147     -1.26358182
  H      3.17508350     10.32040317      0.71175953
  H     -0.49144701      6.94559410     -2.46769404
  O      0.92467155      9.64254904      3.49331131
  H      2.13776861      9.17494390      0.74129511
  H     -3.20965106      1.78561755     -3.67524816
  O     -1.62387022     10.29762851      2.79231082
  H     -1.54774274      8.01418527     -0.89671213
  H     -2.13941469      2.31486376     -2.69355083
  O      1.44709499      7.54982088      0.34721959
  H     -0.62916446      9.25672877     -0.90338253
  H      0.78757757      4.82992927     -2.82819944
  O     -2.87973329      7.05265934     -0.06754922
  H      1.51222624      9.90513484      2.77365295
  H      1.97012741      4.02112998     -3.41361848
  O     -2.35878687      7.56806483      2.57130534
  H      0.83738009      8.68193588      3.41891875
  H      0.30472679      4.32713808      5.06302780
  O     -1.00855128      5.04646952     -0.25771606
  H     -1.98582163     11.01481993      3.30659086
  H     -0.74317570      4.55603585      3.94516639
  O     -2.56211751      3.22036398      1.09776043
  H     -0.72376651     10.13791323      3.12821445
  H     -3.99898400      3.26631968     -0.08446664
  O     -0.55664555      1.25702407      0.72812229
  H      0.70774845      7.77764552     -0.23358872
  H     -4.11034529      2.98754253     -1.59652001
  O      1.15579358      2.91893147      1.97118401
  H      1.07524357      7.33354021      1.21775604
  H     -3.01422952      4.32846493     -3.46257076
  O     -0.47239438      6.05477196     -2.84069931
  H     -3.65987411      6.76576611     -0.55779424
  H     -3.69123706      5.62060085     -2.96730649
  O     -3.02457530      2.48962361     -3.05936262
  H     -2.25869563      6.30790175     -0.05873823
  H      1.87688955      5.77141871      0.08579899
  O      1.40960295      4.10325598     -2.64628516
  H     -2.24899488      8.51720305      2.70886529
  H      1.82861559      4.54725397     -0.88054997
  O      0.21263918      4.49741772      4.12950017
  H     -2.64674355      7.45545969      1.65325439
  H     -4.90787727      5.03689287     -1.26467265
  O     -4.57275697      3.39297620     -0.85166263
  H     -0.92977332      5.26733190     -1.19499891
  H     -5.89136923      6.16263796     -1.67248251
  O     -2.97609752      5.29202798     -3.52449452
  H     -0.10430535      4.94285285      0.05990199
  H     -0.59541941      7.13624565      2.71391934
  O      1.81343524      4.80743894      0.04978123
  H     -2.04771940      3.86198391      0.58347497
  H      0.45079158      6.14285653      3.28557752
  O     -4.96603050      5.96455712     -1.55937284
  H     -2.03218589      2.41454013      1.08289451
  H     -0.50618730      1.78540223     -1.09237845
  O      0.35486552      6.97103562      2.80185720
  H      0.09114782      1.81207379      1.19988177
  H      0.15962462      2.67466117     -2.17898552
  O     -0.56462425      2.06099465     -2.01584713
  H     -0.40879427      0.35960962      1.01362644
  H     -0.89927657     10.60516197      0.99878601
  O     -0.38816759     10.67505568      0.18351313
  H      0.88232869      3.41891561      2.74960776
  H      0.53832044     10.66319520      0.45310226
          69
 Energy    -249.60292527349742     
  O     -1.44990526      0.70948540      3.75205844
  H     -1.81383449      0.14112687      4.42589133
  H     -2.29566872      5.72975210      0.03413695
  O     -3.97092564      1.33784009     -2.25720826
  H     -1.84665757      1.59050549      3.88474403
  H     -1.28895392      4.51540415     -1.51764064
  O     -3.12982697      3.52244096     -3.91122044
  H     -3.94500322      1.70593343     -1.36507802
  H     -2.59958180      4.37325536     -2.33645643
  O     -4.14768272      4.52828389      2.19088098
  H     -3.84224872      2.08783793     -2.85185234
  H      1.07097519      2.41462596      1.25053249
  O     -0.13280843     -0.11549397     -1.17771569
  H     -3.48872010      3.89838233     -4.71035857
  H     -0.43468339      2.16522465      0.96840365
  O      1.08306635      1.87453515     -2.82941576
  H     -2.38697056      2.95107803     -4.17830451
  H     -2.98835511      3.32910319     -0.39779585
  O      0.31579187      6.63754626      1.96808588
  H     -4.94706251      5.01945768      2.35919400
  H     -3.82687087      3.20155997      0.89043757
  O      1.19977436      1.90334029      4.26238584
  H     -3.51436743      5.15016343      1.78682511
  H     -1.56885091      3.73391615      3.84260477
  O     -2.16775503     -0.52765450     -3.06127235
  H     -0.65114434      0.15406792     -0.40485944
  H     -3.05637450      3.66278359      3.43559299
  O      2.58003493      1.56906605      1.79274177
  H     -0.77216871     -0.38535746     -1.84919653
  H     -1.60337327      0.65480655      1.91997794
  O      2.40944105     -0.46896799     -0.15670718
  H      2.02261767      1.85301419     -2.59739598
  H     -2.33907986      1.38734782      0.73959572
  O     -2.34115486      6.09125729      0.92989307
  H      0.64639473      1.23573239     -2.24991754
  H      0.09361459      3.87952097      2.44472730
  O     -2.25181208      4.61594693     -1.47017865
  H      0.43368390      7.41410786      2.51033002
  H      0.61354966      3.61986310      3.85878000
  O      0.24988104      2.84540122      0.97504248
  H      0.29414958      5.87586628      2.57313486
  H      1.68402166      5.24528668     -0.57629040
  O     -3.44414663      2.68874285      0.16924647
  H      1.77442699      1.69914108      3.51211206
  H      1.68455344      6.03024073      0.74465473
  O     -2.38282569      3.22936044      3.97271923
  H      0.39447450      1.39060790      4.12587586
  H      0.38129440      3.73705002     -0.53475686
  O     -1.60825629      0.79205257      0.96351246
  H     -2.62232735     -1.28902631     -3.41157040
  H      0.69250239      3.46411993     -2.02409160
  O      0.15725206      4.28448657      3.32435558
  H     -2.85367655      0.08174614     -2.73279041
  H     -0.28592444      1.88526090     -4.07600012
  O      2.26745112      5.59679161      0.11136565
  H      2.58153069      0.80396175      1.20346026
  H     -1.46796193      0.90904540     -4.17014102
  O      0.43875846      4.16192684     -1.40680131
  H      3.17875808      2.22906246      1.41556497
  H      4.90188176      3.92266248      0.60404796
  O     -1.15099067      1.76202043     -4.49054227
  H      2.65886700     -1.38991082     -0.15899595
  H      3.42784084      4.31403441      0.36012929
  O      4.03221900      3.55778514      0.46149189
  H      1.51388059     -0.42224643     -0.53058695
  H      3.78500812      2.36143402     -1.04078138
  O      3.57925443      1.68241730     -1.69452082
  H     -1.44422998      6.32886828      1.18808510
  H      3.33724359      0.89520496     -1.19112865
          69
 Energy    -249.60289207169905     
  O     16.40854789      9.41969211    -14.66116598
  H     16.55391100     10.09253663    -15.34930389
  H     17.89605979     11.39239100    -16.60544234
  O     18.43761601     15.39303260    -16.23519258
  H     15.79314140      8.78889806    -15.02744694
  H     16.73029296     10.99612780    -10.84021465
  O     21.25292879      9.59631314    -15.35393968
  H     19.18636371     15.01487783    -16.71268340
  H     16.87528694     10.59382838     -9.35404414
  O     19.08128089     13.28614670    -10.09276984
  H     18.80594265     15.76038734    -15.42207227
  H     20.99738463     16.59871986    -10.93150278
  O     19.41260411     10.15391103    -11.76394364
  H     20.49002560      9.18622092    -14.90723284
  H     21.11895067     18.10286167    -11.26900781
  O     15.79852701     10.93245885    -12.30618740
  H     21.81288135      8.88456854    -15.65064183
  H     20.58825279     12.47132558    -10.76081166
  O     19.69714150     11.72953997    -16.23554421
  H     18.46516722     12.56353564     -9.92931298
  H     22.12734736     12.52182055    -10.86081814
  O     21.85651276     14.40217381    -14.76844833
  H     18.69150620     13.81440345    -10.80838323
  H     20.33681052     13.16479055    -17.00901205
  O     21.00279736     15.34029498     -9.70733215
  H     18.72211732     10.33129666    -11.11275035
  H     21.00234198     13.87983898    -18.21162049
  O     22.21418205     11.87330169    -13.82520946
  H     20.20373922     10.63053128    -11.47667197
  H     22.61876347     16.24729053    -12.34314180
  O     16.17612640     13.25418235    -13.80396918
  H     15.98217740     10.32265213    -13.03159238
  H     22.89760936     15.18887738    -13.42967458
  O     16.93488860     11.29777746    -16.56820390
  H     15.69562047     11.79715971    -12.72546038
  H     20.51534939     15.43658568    -14.13856295
  O     17.33508947     11.01349658    -10.07630599
  H     20.27539629     10.96600814    -16.11617921
  H     20.19226323     16.58009345    -13.14542666
  O     21.09490161     17.23489975    -11.66257353
  H     19.40501368     11.97932009    -15.34369116
  H     23.38197698     14.43504672    -11.27214718
  O     21.35674436     11.99598518    -11.10895193
  H     21.62132470     14.35173401    -15.70086563
  H     24.22937717     13.81663562    -10.13528876
  O     20.67798397     14.02005587    -17.32623897
  H     21.98384519     13.49079184    -14.45870795
  H     18.18388790      8.83755088    -14.28862921
  O     23.24027396     15.55706662    -12.60419457
  H     21.82437306     14.84397544     -9.81205587
  H     19.22318901      9.02704216    -13.16504999
  O     19.80844554     16.02847747    -13.83895642
  H     20.29730492     14.68261071     -9.66521549
  H     18.95333820     11.46244182    -13.08102215
  O     23.34275454     13.86743328    -10.48131359
  H     21.93378685     11.06082373    -14.26005798
  H     18.80405178     13.00445124    -13.15791362
  O     19.09611567      8.64221908    -14.04483605
  H     21.89349166     11.83716391    -12.91533307
  H     16.92741165     14.55937907    -16.41630632
  O     18.78623819     12.19630545    -13.68440250
  H     15.97315949     13.58286744    -14.68741095
  H     15.51412694     14.54910871    -17.04446193
  O     16.10193480     14.04645556    -16.48742621
  H     16.98504570     12.72702192    -13.90208872
  H     17.29008647     14.32919820    -12.74100700
  O     18.10030901     14.56181541    -12.26920514
  H     16.57916918     12.19197726    -16.62821820
  H     18.62501522     15.15022250    -12.82965101
          69
 Energy    -249.60283965758066     
  O     16.17382663     10.19262124    -16.68001174
  H     17.00598739     10.53786443    -17.05204566
  H     15.54545834     11.89011098    -15.92989130
  O     20.09242526     15.55354138    -15.52469311
  H     15.70306477      9.77724692    -17.39728809
  H     19.37516068     11.06161953    -17.31349805
  O     20.96126179      9.00216124    -14.62014730
  H     20.35815319     16.27814373    -16.08421461
  H     18.36193756     12.20762048    -17.18056168
  O     18.73562495     12.94503818     -9.85904595
  H     20.71423684     14.82136113    -15.69621161
  H     17.77968216      9.89060483    -10.09072477
  O     14.94055228     13.33349825    -12.96618954
  H     21.18684960      9.67875938    -13.96238361
  H     17.59103873     11.38093014     -9.74900012
  O     19.20912649      8.61828330    -10.45912014
  H     20.28668554      8.46205653    -14.19836508
  H     19.92494481     15.48019146    -13.65320829
  O     15.50225674     10.60971093    -12.23891127
  H     18.26942192     13.16050967    -10.68139646
  H     19.05575328     14.73261427    -12.60803484
  O     21.13853144     10.75895344    -16.69595733
  H     19.28423555     13.71520283     -9.67232949
  H     20.01229144     11.65016641    -10.02142460
  O     22.25925930     13.62203495    -13.01681327
  H     14.10945805     13.79255490    -12.88366141
  H     20.28983322     10.12974461    -10.14162228
  O     20.49655878     15.19488725    -10.00661186
  H     15.06650290     13.14550012    -13.91434622
  H     16.69473919      9.64291174    -15.01059044
  O     21.18175239     11.08943356    -12.86986879
  H     19.10872898      8.31348408    -11.37383077
  H     16.43168673      9.84902933    -13.47190481
  O     15.47884497     12.77452842    -15.55419224
  H     19.23919740      7.83505816     -9.91339830
  H     21.55054779     12.54100475    -16.04944823
  O     18.47559988     11.31979247    -17.54732617
  H     15.21879986     11.51611612    -12.39935861
  H     22.13579197     13.41324932    -14.89818690
  O     17.11112831     10.57548893     -9.97524731
  H     15.98435937     10.61160418    -11.39865147
  H     21.95695854     13.90862844    -10.05490115
  O     19.89301027     15.20521840    -12.72849098
  H     21.05188902     10.08969495    -15.99569925
  H     22.11199479     12.37937963    -10.11998310
  O     20.71534560     10.99570839    -10.14886973
  H     21.79669650     10.42767968    -17.30314686
  H     18.15775770      8.34135486    -13.48287765
  O     17.05884579      9.50149135    -14.12860009
  H     21.46485946     14.16728998    -12.93900322
  H     18.55722302      6.85507226    -13.34430629
  O     21.75380069     13.44557897    -15.78563241
  H     22.58077906     13.49715804    -12.11145368
  H     19.57600255     11.49434472    -13.60991962
  O     22.57201655     13.20768526    -10.30526610
  H     20.31759490     15.31652387    -10.95350217
  H     18.16936208     10.96003220    -14.02901514
  O     18.81889173      7.73877090    -13.09677771
  H     20.53668266     16.06753639     -9.62268752
  H     18.68527605     14.34909315    -15.86704546
  O     18.70841350     11.75621286    -13.94209172
  H     21.04553206     10.99580623    -11.91813572
  H     18.39213924     12.94878857    -15.26697038
  O     18.11172462     13.58062802    -15.94857333
  H     21.63556532     11.93220697    -12.99754203
  H     16.68615796     13.66991301    -12.44271810
  O     17.63802720     13.64468956    -12.29148414
  H     16.32430082     13.20251346    -15.75250311
  H     17.98406300     12.92190241    -12.83812963
          69
 Energy    -249.60262791152928     
  O     -0.10520336      0.68854342      1.96163131
  H     -0.18608580     -0.16338191      2.41151130
  H      0.03895700     -2.37434662      2.94847424
  O     -1.16877221     -2.46527766     -0.12985161
  H     -0.17963364      1.37149490      2.64059818
  H      3.34138900      1.76272830      3.09240767
  O      4.53236416     -1.01037909      3.11495542
  H     -0.64604983     -1.83777144     -0.64913251
  H      4.18334071      2.42208378      1.96542433
  O     -3.39841690     -1.15626236      0.58002653
  H     -0.55411892     -2.92788458      0.45003181
  H      1.50659663     -3.10016682      1.45778417
  O      1.63317308      3.44550271      0.07578210
  H      4.46849973     -0.07941462      2.84375279
  H      0.94397739     -4.50975192      1.76525858
  O      0.11133368     -0.32228216     -1.39729740
  H      5.41356150     -1.13653933      3.45801730
  H      0.74060433      4.22354724      1.54943856
  O     -2.87297025     -0.66957001      3.36389494
  H     -4.16862361     -1.58689948      0.21951274
  H     -0.51280258      5.07004686      1.87619992
  O     -2.09862017      5.41766359      0.96903787
  H     -2.62793388     -1.70102579      0.33182331
  H      1.89489101      4.94897320      3.29167655
  O     -3.09964027      1.87830506      4.21745638
  H      1.79131351      2.49391727      0.09305124
  H      3.35175354      4.73100821      2.87056171
  O     -0.39343737      2.56963333      3.94747204
  H      0.81380490      3.57947562     -0.42457732
  H     -1.33304501      4.34917560     -0.44961540
  O      2.84955115     -2.05967702      1.09192577
  H     -0.59352189      0.28715373     -1.15101177
  H     -1.34342335      2.83962133     -0.75551168
  O     -0.22545230     -1.61381436      3.48031701
  H      0.91096089      0.02411468     -0.98551742
  H      2.17022899      0.30874311      4.77195041
  O      3.94236468      1.57326047      2.35458464
  H     -3.11381044     -0.87284267      2.45222584
  H      2.91239794     -0.91476434      4.22008347
  O      0.69998826     -3.59069691      1.69710752
  H     -2.01771834     -1.09200329      3.52208415
  H     -2.60085241      0.45215075      0.08971859
  O      0.27224282      4.66814501      2.26914711
  H     -2.62168370      4.65110747      1.26795441
  H     -1.32528340      1.04624322      0.72477110
  O      2.78233595      4.80183876      3.64537629
  H     -2.70317532      6.14849352      0.87673063
  H      2.84339975      0.92733003      1.02818038
  O     -0.88024298      3.66266178     -0.95506060
  H     -3.67317462      1.90599172      4.97838130
  H      1.32379171      0.62962414      0.98937261
  O      2.08727453     -0.64357586      4.63747152
  H     -3.04378939      0.94508287      3.94100319
  H      1.32264307      2.25412768      4.42888071
  O     -1.99410599      1.20245666      0.03791456
  H     -0.28927438      3.37733856      3.42301722
  H      2.58015200      3.12955903      4.39235005
  O      2.12402058      0.66715971      0.43686523
  H     -1.32952354      2.43324455      4.13569936
  H      4.64471520      4.61728264      0.55215450
  O      2.28763809      2.21158215      4.49253671
  H      3.49288706     -1.84078477      1.77792341
  H      3.23593840      3.99489820      0.67940816
  O      4.08164372      4.12238684      1.14195370
  H      2.60836634     -1.21794690      0.68977840
  H     -2.98920009      2.45077343      1.10563970
  O     -3.33487209      3.13330816      1.69319028
  H      0.55331866     -1.32511350      3.98103357
  H     -3.35249774      2.74354806      2.57575215
          69
 Energy    -249.60258998386811     
  O     -5.80342360      4.20836502     -0.13916959
  H     -6.55958874      3.71422277     -0.47907703
  H     -4.38729825      1.27654959      5.32868586
  O     -3.82051536      2.16291069     -3.69632570
  H     -5.77234701      4.01541462      0.80369453
  H      0.46572094      0.49199194      1.20021815
  O     -4.37163376     -0.84394263      2.52382123
  H     -3.73606613      2.90702174     -3.06973509
  H     -0.95540723     -0.01636301      1.53450557
  O     -2.73820351     -1.75374721     -1.31183896
  H     -3.83928002      2.53604474     -4.57280494
  H     -1.26836671      1.96665799      0.54203415
  O     -5.61957424      0.94759107     -1.90935824
  H     -5.27045988     -1.09870547      2.27951299
  H     -2.77283811      1.98743561      0.17330127
  O     -6.85431469     -1.40687021      1.36218892
  H     -4.41849388     -0.19622295      3.23922092
  H      1.01819960     -2.05989345      0.65860003
  O     -5.54962488     -1.70042450     -0.99442832
  H     -2.49290230     -0.89106593     -1.67455040
  H     -0.39169947     -2.47928643      1.11220927
  O     -1.85090721      0.73769103     -2.26916766
  H     -2.05208892     -2.37538571     -1.58727855
  H      2.74721122     -0.13955913      0.12468061
  O     -1.97811895     -1.49660353      1.36151791
  H     -5.12105434      1.03834150     -1.08159871
  H      1.44928259     -0.39026555     -0.68044563
  O     -0.43259473     -3.28258239     -1.83944437
  H     -5.06561190      1.30310709     -2.61438348
  H     -8.48951884      2.44248950     -1.73464933
  O     -5.49475300      2.88910041      2.42385084
  H     -6.41643237     -1.56743264      0.50647711
  H     -7.09400387      1.82684438     -1.46654754
  O     -4.25797236      1.25428966      4.38440316
  H     -7.46639927     -2.12573057      1.49670790
  H     -1.99133900      2.81819890      3.35148941
  O     -0.38238593      0.76454737      1.57006718
  H     -5.70279763     -0.87348715     -1.47049356
  H     -1.15400128      1.53955421      3.14200028
  O     -1.92510290      2.43178214      0.00408834
  H     -4.60510932     -1.87544858     -1.09565443
  H     -7.39809654      0.42961245      1.50751198
  O      0.41742051     -2.81409935      0.70087009
  H     -1.77036363      1.34769605     -1.52451406
  H     -7.80963609      1.67668093      0.69025187
  O      1.82035181     -0.34172786      0.21886976
  H     -2.45221708      1.15548177     -2.89743845
  H     -4.22444194      0.38340528      1.08407284
  O     -7.80603571      2.36103462     -1.07476359
  H     -2.77569059     -1.40473032      1.89875465
  H     -4.75317442      1.82820376      1.06842834
  O     -1.74709575      1.97635701      3.76416030
  H     -2.27142688     -1.59320391      0.44440809
  H     -2.85603131      3.68389903     -1.17910645
  O     -7.58268543      1.37393361      1.57884621
  H     -0.20589439     -4.14861605     -2.16638911
  H     -4.32675219      4.16772424     -1.21158106
  O     -4.28885623      1.17182345      0.53240691
  H     -0.09156413     -3.22529007     -0.92841094
  H     -2.45542884      3.72313759      1.43100033
  O     -3.54943348      4.00425124     -1.76637412
  H     -6.32328687      2.42114728      2.22274110
  H     -3.72052876      3.91521895      2.28528493
  O     -2.77353832      4.08915877      2.26473104
  H     -5.10287239      2.42644087      3.17613866
  H     -0.17007087     -0.10060334     -2.35191351
  O      0.62107944     -0.63593334     -2.20844763
  H     -3.32010856      1.46806242      4.22193074
  H      0.32702610     -1.55453502     -2.24568960
          69
 Energy    -249.60258877981363     
  O     -6.99909666      2.48751799     -1.47258090
  H     -7.23845719      1.66530971     -1.91775324
  H     -6.20069069      0.76693208      4.60197264
  O     -3.20581807      1.82703406     -3.91062400
  H     -7.18930051      2.34045853     -0.54017079
  H     -0.57071894      2.71003464      2.20629984
  O     -6.93546678      1.53705346      1.26554341
  H     -3.72285804      2.49989944     -3.42753541
  H     -1.55587634      1.51873745      2.21328485
  O     -4.18527858     -1.01220137      2.33554031
  H     -3.11899927      2.13272090     -4.80885425
  H     -2.47950026      3.02582047      0.83817497
  O     -1.15260742     -0.90111789     -0.66425964
  H     -6.63870176      1.35592074      2.16703346
  H     -3.56570606      2.23712709      0.06490341
  O     -4.61577521     -0.16495511     -2.51387501
  H     -7.29170908      0.69802462      0.92640464
  H      1.34008644      0.85250943      2.30194973
  O     -5.49214298     -2.81733038      0.64332614
  H     -4.69106494     -1.70890403      1.89820083
  H      0.27928484     -0.25777265      2.40888224
  O     -3.52342108     -2.36359175     -1.16230867
  H     -4.78753295     -0.49117148      2.88267209
  H      1.92208244      3.40095620      1.94293514
  O     -1.38946044      1.67857188     -1.75977751
  H     -1.27357274     -0.04105184     -1.09040994
  H      1.28239394      2.49421963      0.86389073
  O     -1.56381845     -0.27895574      2.02543694
  H     -0.20040173     -1.05780652     -0.62173933
  H     -7.71537169     -0.44180734     -3.41816218
  O      1.63179335     -0.95517732     -0.24506849
  H     -4.53918851      0.17815769     -1.60924706
  H     -6.38153159     -0.21356352     -2.66508333
  O     -5.77338169      0.81831707      3.75129408
  H     -4.12084332      0.43277469     -3.08666247
  H     -4.41752055      3.35456181      3.13531715
  O     -1.50656467      2.48510885      2.26923202
  H     -4.77852949     -2.71736541     -0.01281986
  H     -3.03429873      2.72428084      3.39874595
  O     -3.05945137      3.06684863      0.06422248
  H     -5.66036220     -3.75241424      0.72591735
  H     -6.90260707     -1.55871380      0.30291747
  O      1.22935085     -0.10626992      2.30691363
  H     -3.90600626     -1.74722930     -1.80078538
  H     -7.59039773     -0.72589860     -0.80425301
  O      1.25514078      2.73332541      1.80776785
  H     -2.64922240     -2.00488745     -0.96206365
  H     -4.21182772      0.10404115      0.80119858
  O     -7.34869379     -0.14470042     -2.58960436
  H     -1.88086984      2.23603418     -1.14264294
  H     -5.35875830      1.04023421      0.38246096
  O     -3.93385196      2.77449578      3.74214308
  H     -1.87139243      1.70944654     -2.59502256
  H     -5.44718789      3.24580079     -2.06321112
  O     -7.55109286     -0.86058420      0.15129864
  H     -2.42348541     -0.62945949      2.29246364
  H     -4.04205168      3.62579318     -1.53466736
  O     -4.47918358      0.73555293      0.12311105
  H     -1.44443593     -0.51693787      1.09507986
  H     -4.60825601      3.87138559      1.03317680
  O     -4.56158906      3.52501124     -2.33979930
  H      2.35893919     -1.56441183     -0.33667357
  H     -5.99602336      3.35453788      1.45049033
  O     -5.32318955      4.00907147      1.66577626
  H      1.57232019     -0.72479536      0.69989304
  H      0.40055911      1.87209384     -1.21829847
  O      1.25383104      1.84419317     -0.76638063
  H     -5.08091599      1.50170755      3.82307201
  H      1.49686973      0.91114126     -0.72132500
          69
 Energy    -249.60252089769591     
  O     12.80198494     10.09609136    -11.42606635
  H     12.27913250     10.84086190    -11.74551052
  H     12.84168632     15.56742689     -9.18749049
  O     11.49524503     12.19190161    -12.75460579
  H     13.15212410      9.66483964    -12.21686960
  H     11.25535443     13.06207143     -9.74139395
  O     14.38667416     10.84582216     -9.33455603
  H     11.11419730     12.66063673    -12.00148004
  H      9.83487220     12.71269405    -10.26057356
  O     14.06217160      6.65758552    -10.35188416
  H     12.36089255     12.58851412    -12.93534534
  H     11.14121224      7.84831277     -6.76942703
  O     13.86999350     15.82546889    -12.21456834
  H     13.85739396     10.56187905    -10.09642353
  H     11.16552290      9.18554266     -7.54580247
  O      9.43725268      9.21605017    -11.62092695
  H     14.51728416     10.05816942     -8.79002190
  H     11.16772566     11.44701605     -7.87993595
  O     14.01268917     13.22027768    -13.04342372
  H     13.14623974      6.97646975    -10.39657644
  H      9.84135403     10.90342643     -8.45932757
  O     15.81126171     15.02267485    -10.24860172
  H     14.01990267      5.70411963    -10.36697367
  H     14.42219390      7.75946815     -8.77014602
  O     11.57261815      7.89592124    -10.29160938
  H     13.05118954     15.93839768    -11.71589125
  H     13.44739738      8.36285476     -7.74743413
  O     11.51935020     15.91506605    -10.56931955
  H     14.56863481     15.71127547    -11.55727560
  H     15.41283958     11.87451271    -10.35882769
  O     15.44116374      8.12696652    -12.38024683
  H      9.78003303      9.37537135    -12.50824127
  H     16.34267304     11.74328408    -11.59132610
  O     13.48123646     15.15733020     -8.59251552
  H     10.04977279      8.60037300    -11.19872693
  H     13.85164748      9.74591398    -14.32649778
  O     10.57969940     13.31305303    -10.39111046
  H     13.94552993     14.17720029    -12.91482688
  H     12.40034845      9.20265371    -14.14468792
  O     11.54470349      8.28839609     -7.51251531
  H     14.60169613     12.89263788    -12.35103529
  H     10.88314210     10.84134251    -13.72628003
  O     10.50454569     10.75007195     -7.77727661
  H     16.68952067     15.34595009    -10.06297278
  H     10.15373249     10.21097067    -14.93540487
  O     14.35978671      8.41065238     -8.06120664
  H     15.90855108     14.09518574    -10.52054652
  H      7.77186555     11.24109325     -9.88027351
  O     15.85600987     12.38214579    -11.05521047
  H     11.96832562      8.71705744    -10.62580220
  H      8.95090649     10.53191945    -10.58418922
  O     13.32647757      9.01628930    -13.95705353
  H     11.48839214      7.98889667     -9.33263065
  H     14.62207500     11.93057387    -14.25633692
  O     10.62024918      9.99600621    -14.13123548
  H     11.09302952     15.04313362    -10.54873065
  H     15.74586264     10.89415615    -14.10024066
  O      8.71983724     11.26185221     -9.98292144
  H     10.82029711     16.56221412    -10.51362074
  H     17.85530715     10.10110476    -12.85643496
  O     14.96403924     11.10494506    -14.62502322
  H     15.06487442      7.61290881    -11.65725141
  H     16.46129093      9.54162542    -12.49546243
  O     16.95886425     10.36233786    -12.66215450
  H     14.73478158      8.22902719    -13.03360312
  H     13.16320060     12.01951522     -8.70475479
  O     12.44463719     12.62497741     -8.47762231
  H     14.31909016     15.14633942     -9.07219127
  H     12.83180260     13.50478997     -8.36423630
          69
 Energy    -249.60205519264184     
  O     12.53111147     13.82527341    -12.41498657
  H     12.22730662     12.90417000    -12.30471446
  H     13.31183288      9.07298215    -14.18869528
  O     19.89723807      7.49326052    -10.90877773
  H     11.75715924     14.37923230    -12.37324557
  H     15.25940591     10.03574875    -13.24156462
  O     17.89088225     11.43312363    -11.74038007
  H     20.20916924      7.77885384    -11.78618368
  H     15.06035386     11.58094956    -13.41044549
  O     15.29846323      6.73767558    -11.44060460
  H     20.66468559      7.18829749    -10.43202917
  H     13.90876645     12.00755237    -15.73143536
  O     17.92690758      5.92995981    -12.24852698
  H     17.84027073     12.36698364    -11.50595685
  H     13.21486436     11.79221977    -17.09778972
  O     14.34207472     13.00847221    -14.37853770
  H     17.04151766     11.21946695    -12.16085666
  H     16.41454799      8.79930179     -9.49062311
  O     17.35650625      8.59162263    -15.13532024
  H     14.60661758      6.10513967    -11.25766726
  H     15.46219946      8.34384916     -8.35589185
  O     17.95717038      9.30575843     -9.94833912
  H     15.33734392      7.33554985    -10.67763538
  H     20.15259335      7.52936190    -14.00163793
  O     16.49769001     10.77119054    -16.71899705
  H     17.04411046      6.17452325    -11.94891987
  H     20.20252126      9.03977426    -13.68026835
  O     18.87565076      6.27622670    -14.76408797
  H     18.55144558      6.40273410    -11.68327367
  H     17.39716613     13.66789761    -14.63684666
  O     18.36169092     12.51083353    -15.81390155
  H     15.16257916     13.52380957    -14.33763321
  H     17.04019236     14.20869333    -13.22083669
  O     12.58584597      9.68749806    -14.35890218
  H     13.70907615     13.38658119    -13.75625133
  H     16.34011669     13.94171454    -11.02691947
  O     15.47663007     10.89975753    -12.86872508
  H     17.92945933      9.23905438    -14.69999907
  H     17.57470911     14.83868570    -10.77656297
  O     13.72090550     11.34698814    -16.42257001
  H     17.84964600      7.76247152    -15.15835146
  H     14.53905242     12.61337616    -10.32569745
  O     15.50997397      8.48589467     -9.29740504
  H     18.00003904     10.08733926    -10.51581720
  H     13.97269047     13.77465010    -11.15432590
  O     20.58221239      8.18343413    -13.43737490
  H     18.65745179      8.70983272    -10.23950268
  H     18.99837696     11.20416158    -14.65417589
  O     16.76264915     14.20363952    -14.14472886
  H     16.70172719      9.92068876    -16.30905913
  H     18.78689312     10.82050573    -13.17072423
  O     17.25423268     14.11984224    -11.31433620
  H     15.54073048     10.88259442    -16.67655238
  H     12.09175480     10.66176569    -12.88884326
  O     14.70759851     13.53041451    -10.57890501
  H     18.50462486      6.07547538    -13.88529897
  H     12.56103443     10.94001005    -11.43451757
  O     19.11526611     10.48772863    -14.01824619
  H     19.04160718      5.44149073    -15.19276833
  H     14.63613032     10.80115764    -11.28831101
  O     11.93750496     11.22334783    -12.11482938
  H     17.66674935     11.93759883    -16.18673045
  H     14.55295190      9.99926275     -9.96912665
  O     14.17962029     10.75494208    -10.43299753
  H     18.83703854     12.88043613    -16.55358237
  H     15.79491512      8.31780826    -14.28190670
  O     14.97386549      8.32562859    -13.76895507
  H     12.86024722     10.18839855    -15.13582911
  H     15.09590653      7.74856863    -13.00635342
          69
 Energy    -249.60193308164105     
  O     15.92369565     12.74469807    -16.00014347
  H     15.61450178     13.64311226    -16.08255143
  H     18.21698263     10.70725737    -17.88088960
  O     15.66581803      6.26484061    -14.47108437
  H     15.28716022     12.28373549    -15.42589736
  H     16.28885659      8.74831091    -16.04319782
  O     18.86756099      7.80825161    -12.20922937
  H     16.22352849      5.82602506    -13.81568077
  H     17.78227355      8.38657649    -15.73035325
  O     18.26107498      5.96239949    -17.32001032
  H     16.15399777      7.05707791    -14.74990454
  H     14.46893979     11.04854056    -13.60096683
  O     15.37844060      9.22936186     -9.53875708
  H     18.51259329      8.65784364    -12.50751414
  H     13.61683195     10.70689465    -14.84003947
  O     13.79765887      7.87120320    -13.21149401
  H     19.61351871      7.61014711    -12.78935192
  H     15.33474312      5.71912281    -10.28280130
  O     17.72691469     10.09779033    -13.29113195
  H     18.50974463      5.47691327    -16.51710118
  H     15.88459635      4.47804281     -9.53912157
  O     19.10791535      4.92806096    -14.86848648
  H     17.30383344      5.90239810    -17.38982031
  H     13.03597957      8.60141512    -14.64531010
  O     14.05151815      6.89033459    -10.53082046
  H     15.35351984      9.68113544     -8.69981959
  H     11.82491544      9.01412725    -15.51395501
  O     19.46731674      8.20542424    -16.41389794
  H     16.20916076      8.72024712     -9.56106142
  H     21.69658374      7.32051401    -14.30621362
  O     15.32877150      5.88057171    -17.17140491
  H     14.41127780      7.24045088    -13.61588293
  H     20.35290450      7.64148281    -15.00147890
  O     19.16941092     10.65129729    -17.68298898
  H     14.31996301      8.61491710    -12.87336231
  H     17.03404714      5.17917959    -11.75693354
  O     16.90936839      8.52538866    -15.33877253
  H     17.36799394      9.53325348    -13.99521497
  H     17.92868476      6.23715924    -12.45294441
  O     14.16548294     11.39613445    -14.45031419
  H     18.12704387     10.84384638    -13.75707872
  H     17.20123047      6.74283401     -9.74837106
  O     16.13069208      5.17670969    -10.13907477
  H     19.79095052      5.56806972    -14.63500460
  H     18.13575938      7.72625733    -10.48568681
  O     12.77462588      9.07893880    -15.45101723
  H     18.53590826      4.88250154    -14.09256774
  H     16.23151152     11.54156854    -17.40125163
  O     20.75177608      7.22630509    -14.21660193
  H     14.36027817      7.70564145    -10.11492902
  H     15.87818184     10.13642975    -17.94619121
  O     17.46403665      5.39861665    -12.59214540
  H     13.79619431      7.13321168    -11.42884974
  H     16.12458211     10.14247715    -12.50531381
  O     17.56359874      7.63654150     -9.71204134
  H     19.11191468      7.45356201    -16.91680646
  H     15.22975388      9.89959108    -11.25671991
  O     16.49933595     10.86898611    -18.04183365
  H     19.44651317      9.00669271    -16.95168462
  H     17.67915035     12.32746439    -15.38640321
  O     15.20620374     10.06175590    -12.20732758
  H     14.88606220      5.07578306    -17.42946989
  H     18.89707597     11.56538382    -15.92296556
  O     18.54475919     11.98288117    -15.12924340
  H     15.38163460      5.87301875    -16.20038595
  H     14.11336835      8.82575513    -16.73410967
  O     14.89587477      8.68312068    -17.28277086
  H     19.62271624     11.09730372    -18.39339714
  H     14.98327900      7.72947011    -17.41108359
          69
 Energy    -249.60159741538962     
  O     10.75011829      9.67189963    -12.51815991
  H     11.54009155      9.91548896    -13.02553112
  H     16.61578957      6.28704416    -16.70568527
  O     14.22364491      5.97522139    -14.71315246
  H     10.18647559     10.44245796    -12.51070085
  H     18.19337715      6.57114327    -15.05717593
  O     17.12482359     11.01312471    -10.93213486
  H     13.48698957      6.55470950    -14.95831222
  H     17.92239301      7.87291611    -15.84737918
  O     14.74600672     10.71043118    -16.20997581
  H     14.73883682      5.81847738    -15.51418020
  H     15.31394608      7.19119817    -13.92634878
  O     12.29639854      7.81884080    -15.36932013
  H     17.32264541     11.89067958    -10.61704172
  H     16.72824926      7.25351404    -13.29284685
  O     16.25043303      6.77885560     -8.99417237
  H     17.70437464     10.85090920    -11.69985138
  H     11.04449385      8.50658919    -11.01957033
  O     13.78037445      5.34298348    -12.05611261
  H     14.66367442     11.42636570    -16.83481977
  H     12.15487356      7.78996781    -10.21871972
  O     14.88302718      9.66371251    -11.88579849
  H     14.56383176      9.88857494    -16.70222467
  H     19.35253784      8.17310997    -11.09682937
  O     14.15467865      8.35027863    -17.38710459
  H     12.57144493      8.59991330    -14.87127920
  H     20.79993887      7.91014074    -11.58351570
  O     16.55507864      5.05703671    -11.30608936
  H     11.47422938      7.50818673    -14.96419677
  H     10.98177559      6.21932465    -11.13763307
  O     17.16352158      9.54330650    -15.21755637
  H     15.40984094      7.07790484     -9.37987576
  H     10.37247802      4.79878583    -11.22510406
  O     15.76110291      5.98370351    -17.06021364
  H     16.05334177      6.46401748     -8.11537639
  H     19.20846076      9.56527348    -12.76957530
  O     18.04343919      6.91996904    -15.94668382
  H     13.92598117      5.45877195    -13.00616729
  H     18.26333497     10.15037525    -13.85243712
  O     15.93964020      7.77881829    -13.48506284
  H     12.83155834      5.21001480    -11.93773892
  H     18.85251629      6.73924784    -12.74086054
  O     11.20338079      7.79074817    -10.39227290
  H     15.58115529     10.21850162    -11.51782846
  H     17.71746036      5.67852315    -12.53869880
  O     19.89858815      7.99084658    -11.88361355
  H     15.31511964      8.98504419    -12.43298635
  H     17.79160320      9.42483362    -10.06737493
  O     10.97045379      5.39893081    -11.66324335
  H     13.38314511      8.10600659    -16.85625992
  H     17.56901971      7.99410280     -9.50674718
  O     18.70430541     10.35008475    -13.01592031
  H     14.73387909      7.57932503    -17.38443938
  H     13.95886839      6.81937580    -10.98239246
  O     18.18773322      6.20940999    -13.19999361
  H     15.62510682      4.98918009    -11.55606646
  H     14.26301349      8.34668740    -10.83307618
  O     18.23987933      8.60036773     -9.84410446
  H     16.56409729      5.55010189    -10.47757815
  H     13.71429047     10.03687850    -13.19269025
  O     14.00043687      7.55119729    -10.34821063
  H     16.46357306     10.06815608    -15.62014628
  H     13.63374565     10.45967849    -14.68365998
  O     13.10842026     10.13280558    -13.94287237
  H     16.70772921      8.92241036    -14.62720976
  H     10.19714668      7.98422109    -13.33914215
  O     10.15638248      7.14445235    -13.81386780
  H     15.95615557      5.33292177    -17.72904550
  H     10.37709828      6.46385735    -13.16652072
          69
 Energy    -249.60132673688429     
  O     15.63566695     10.80026394    -10.09873506
  H     16.08652380     10.47888627    -10.89433274
  H     11.74179337      7.82556351     -9.25222756
  O     16.29697105     12.48117036    -13.34655384
  H     15.47381134     11.74139671    -10.23885055
  H     16.44325143      6.38764166    -11.80448381
  O     10.39427580     11.01389490    -13.05679893
  H     15.95031530     12.90644749    -12.55328800
  H     14.94337833      6.62469638    -12.08347551
  O      9.53185460      8.59345628    -11.70682842
  H     16.69219603     11.65129004    -13.04957938
  H     13.40845129      7.22030927    -10.28888721
  O     12.66577682     12.37081181    -12.41717458
  H     10.08584311     10.19948862    -12.64383022
  H     13.51776451      5.87780438     -9.58013684
  O     14.10714213     11.43465457    -14.64154050
  H     10.66335918     10.79142702    -13.95640013
  H     11.35471047     11.23737459    -16.37918756
  O     14.83303424     13.37248242    -11.00865235
  H      8.61226470      8.55812254    -11.45567125
  H     12.51524016     11.03223084    -15.38270751
  O     16.87325884      9.80614802    -12.41419561
  H     10.04882885      8.55187741    -10.88202492
  H     18.55037921      7.23865690    -10.62221147
  O     14.37704313      4.96285919    -14.40097105
  H     11.75928971     12.06243495    -12.56890560
  H     17.12127042      7.68999599    -10.22992932
  O     13.51267420      7.85557726    -12.10801508
  H     13.17609515     12.08810321    -13.18943077
  H     14.61071377      4.73734901    -11.04358858
  O     12.06461307      4.23937312    -12.87403627
  H     14.37527475     10.50687705    -14.56462208
  H     13.19252440      4.20916490    -11.28243676
  O     11.15299367      8.53324809     -9.53967666
  H     14.88104909     11.94450652    -14.36195489
  H     14.35902498      6.18373374    -15.60717145
  O     15.64499746      5.96077433    -12.13528661
  H     14.00049335     13.12821030    -11.44648179
  H     14.72748250      6.66753202    -17.03158878
  O     13.42646293      6.82612523     -9.40776636
  H     14.70358029     14.24342140    -10.64135085
  H     12.57575001      7.56420737    -15.88756426
  O     11.64468182     10.69447121    -15.64935632
  H     16.30472759      9.45068995    -13.11119291
  H     11.68616542      8.81219273    -15.65926033
  O     17.71059613      7.50664842    -10.98528617
  H     17.30567847      9.04621800    -12.00428957
  H     11.27414289      7.15667920    -14.02566396
  O     13.84347348      4.36621090    -10.58803869
  H     13.59055425      4.60008152    -13.97731974
  H     10.50182727      7.36894174    -12.67497827
  O     14.34571853      6.95315995    -16.20643414
  H     14.97036964      5.21235233    -13.67854471
  H     15.08354456      7.71130626     -9.00688854
  O     11.71761239      7.85364762    -15.55405774
  H     12.69029981      7.48042978    -12.45299790
  H     15.78012143      9.09577612     -9.17071384
  O     11.15589218      6.81866451    -13.12264645
  H     13.31176727      8.70172171    -11.68051084
  H     14.41972832      8.49242825    -13.53952137
  O     15.94155069      8.15201847     -9.05008205
  H     11.37506715      3.60408247    -13.05095104
  H     14.88468558      8.24146341    -14.99414845
  O     14.96975003      8.85020325    -14.25038790
  H     11.65702091      5.11899519    -12.94119762
  H     13.92883352     10.35218041    -10.40350211
  O     13.04258172     10.17305893    -10.74550291
  H     11.74575596      9.24781855     -9.81516148
  H     12.81107704     10.91827803    -11.31236469
          69
 Energy    -249.60119519353984     
  O     14.50533271      9.57036298     -8.81063452
  H     14.68652427     10.48444710     -8.55773535
  H     10.16231680      7.82749459    -10.85517840
  O     16.49867178     13.04048877    -12.36948639
  H     15.25177909      9.27833069     -9.35372732
  H     14.05142948      6.36703519    -12.18351160
  O     10.18895055     10.15335829    -13.45399039
  H     16.83470489     12.45471494    -11.66716673
  H     15.05714982      5.51264267    -11.38328677
  O     12.49057942     11.74501472    -12.59362022
  H     17.19654554     13.65785536    -12.57085652
  H     10.42094172      5.68665803     -9.51892288
  O     14.93497595     11.23608974    -13.84475900
  H      9.34876820     10.54401560    -13.67918242
  H     11.19135889      5.74946475    -10.85448523
  O     15.08669425     12.29153105     -8.54423472
  H     10.04319538      9.61803673    -12.65232473
  H     14.87924516     13.37721191    -11.40494506
  O     16.63810633      8.66701187    -10.40703646
  H     11.72578567     11.32122738    -12.99829783
  H     13.40685353     12.93136747    -11.41386664
  O     14.34358708      5.50126536    -14.92855907
  H     13.27112590     11.52986404    -13.12606918
  H     13.37873426      9.21698311    -15.69099960
  O     17.21932931     11.45641095    -10.28063644
  H     15.48715735     11.93530097    -13.47383709
  H     14.43646938     10.31154936    -15.43624522
  O     13.43924123      8.03352458    -12.42122757
  H     15.33875751     10.40385951    -13.55913237
  H     15.03924974      6.24639354     -9.38309550
  O     11.64746581      5.70687884    -15.03180289
  H     14.65421985     12.68725902     -9.32220253
  H     16.30070340      5.38699532     -9.12504973
  O     10.02339512      8.72982659    -11.16258799
  H     15.04232412     12.93849742     -7.84555325
  H     12.69225131      4.87046205    -12.16567478
  O     14.45665428      5.48553210    -12.13499583
  H     16.55103966      7.73687375    -10.16487289
  H     11.55703367      5.12176770    -13.17209739
  O     10.95030975      6.26395872    -10.06437076
  H     16.51301369      8.70815994    -11.36690700
  H     16.71366918      7.64315902    -16.37966339
  O     14.08776402     13.32381182    -10.85380058
  H     14.95921913      6.17572537    -15.23812603
  H     15.41310790      8.33795058    -15.90602133
  O     14.20637028      9.58616161    -16.03088674
  H     14.53115091      5.37340256    -13.98806567
  H     11.69031407      7.55532581    -14.89851889
  O     15.90786993      5.99291014     -9.74772525
  H     17.18287734     10.49187629    -10.28699835
  H     11.24983254      8.98953664    -14.41085589
  O     11.72930143      4.86465850    -12.25953722
  H     16.61791042     11.74295875     -9.58183681
  H     13.66414102      7.81972569     -8.68748939
  O     16.06537182      7.64943782    -15.68075936
  H     12.92729850      8.16795396    -13.22957327
  H     12.64551490      6.77564458     -9.23913460
  O     11.98299904      8.46565266    -14.75855130
  H     13.04851401      8.58072292    -11.72963037
  H     15.08285156      8.48064570    -12.84042592
  O     13.51883948      6.87837051     -8.84406149
  H     12.61635494      5.59780349    -15.06911685
  H     16.18465028      8.32169005    -13.92039961
  O     15.98099216      8.75820468    -13.08485437
  H     11.28198987      5.14183216    -15.70736451
  H     12.53882394     10.61397428    -11.16220706
  O     12.42320805      9.86359012    -10.56435409
  H     10.78551423      9.21401797    -10.80720701
  H     13.14087443      9.86263037     -9.91955238
          69
 Energy    -249.60119488945827     
  O     15.23746996      8.81667414     -9.24591677
  H     15.78833923      8.50183397     -9.97724133
  H     10.36823329      7.58003036    -10.16274686
  O     16.58219356     12.34493064    -13.04378420
  H     15.56510584      9.69344141     -9.00869706
  H     14.71693176      4.91164893    -12.05094439
  O     12.54374298     11.40184800    -12.27248761
  H     17.02802012     11.68712510    -12.48001446
  H     13.62792971      5.89829824    -12.52255754
  O      9.95542027     10.06710147    -12.57276277
  H     17.26197116     12.91503654    -13.39250003
  H     10.75068938      5.33929673     -9.03652416
  O     14.52590596     10.77974680    -14.13888605
  H     11.66353380     11.07088422    -12.48215961
  H     11.15653925      5.42917317    -10.52260102
  O     16.12883285     11.45638682     -9.01979608
  H     13.13760623     11.15986865    -12.99899525
  H     15.30361173     12.74739652    -11.67646068
  O     16.79332090      7.85158000    -11.38161666
  H      9.96813702      9.49232641    -11.78538939
  H     13.84176069     12.42582633    -11.32098366
  O     13.12331845      5.20012554    -15.28444875
  H      9.12761883     10.53997317    -12.55355369
  H     15.28212034      5.50668811    -10.08472519
  O     17.65543046     10.56863963    -11.28740564
  H     15.21971557     11.40432820    -13.89412104
  H     16.47805040      4.53087916    -10.20288029
  O     13.14007240      7.62179481    -12.51826254
  H     14.90653797      9.89963417    -14.00564408
  H     12.17982849      4.52087398    -12.21743090
  O     10.52348592      5.63337420    -14.67198245
  H     16.32739694     12.05580169     -8.30567515
  H     10.85503222      4.93258307    -12.88088801
  O     10.24361104      8.50953922    -10.38294412
  H     15.55243701     11.93830266     -9.63979150
  H     14.17761817      7.99910689    -16.38009290
  O     13.94456849      4.98520035    -12.62054029
  H     16.68118506      6.91745212    -11.16664286
  H     15.24000666      7.23336987    -17.20683520
  O     11.17654691      5.90682982     -9.67493624
  H     16.43169353      7.96802620    -12.27288354
  H     13.54991313     10.00977695    -15.58476488
  O     14.67795201     12.72195599    -10.94095935
  H     13.70182870      5.84115611    -15.71356232
  H     12.36106202      9.02587191    -15.60331556
  O     15.99986128      5.20799075    -10.67408012
  H     13.53171164      4.99360415    -14.43202809
  H     10.61837782      8.88775459    -13.82380422
  O     11.22901324      4.60071261    -12.05714724
  H     17.52511998      9.61304520    -11.32684777
  H     10.77823256      7.45866399    -14.47261099
  O     14.79574796      7.24552864    -16.36346204
  H     17.28334792     10.85551063    -10.44396569
  H     13.06774039      6.22003034     -9.29832323
  O     13.10612997      9.34798728    -16.13049181
  H     12.45409772      7.85254284    -13.15839628
  H     14.28987693      7.13685570     -8.98554105
  O     11.18390227      8.33019612    -14.37352322
  H     12.99409872      8.15098930    -11.72513855
  H     14.65734847      7.95959707    -13.33120214
  O     14.01873682      6.22347169     -9.14043993
  H     11.43533935      5.44774517    -14.96541426
  H     15.42572095      7.78436232    -14.66704359
  O     15.48575065      8.17829405    -13.78876468
  H      9.94442294      5.14756350    -15.25328228
  H     12.84620457     10.17597606    -10.95479715
  O     12.81494298      9.39873631    -10.38139117
  H     11.11452324      8.90410961    -10.21743732
  H     13.66996388      9.29490115     -9.94668168
          69
 Energy    -249.60099165482853     
  O     15.07057624     11.24137720    -15.66127308
  H     15.12908628     10.54851954    -16.33261861
  H     14.67404647      5.15074440    -16.96783648
  O     13.58797301      5.84797051    -15.83665866
  H     15.96263034     11.34904216    -15.31503914
  H     18.99839081      5.45333042    -15.87763811
  O     18.42190629      7.24018047    -12.02863861
  H     13.76329030      5.87135608    -14.88694139
  H     19.76003746      6.39972641    -16.82363620
  O     19.27050069      7.74741788    -18.10181437
  H     13.09575582      6.65217082    -16.04169336
  H     16.59379890      8.23877001    -14.32441676
  O     16.70698232      7.07467753    -18.61326706
  H     17.86008726      8.00617812    -12.22758398
  H     17.58438574      8.28188541    -15.49147936
  O     14.45191357      7.85292049     -9.51956952
  H     19.19007532      7.30793103    -12.60649466
  H     13.26302097      9.61984741    -13.55055230
  O     14.27459401      6.03242257    -13.11347272
  H     18.35431112      7.49127683    -18.31385327
  H     13.64902263     10.54105056    -14.74012761
  O     16.74681449      9.25987082    -12.77316066
  H     19.71469711      7.87911143    -18.93510411
  H     16.44261674      4.27622261    -11.28101962
  O     17.21640419      5.15239394    -15.53886570
  H     16.28431355      6.24432129    -18.36477576
  H     16.47744290      3.16576369    -10.20572423
  O     13.57784481      5.29020151    -10.55174084
  H     16.10781216      7.76960313    -18.30626321
  H     12.52398168      8.92272179    -15.66540057
  O     19.15997804      9.26612376    -15.74644680
  H     14.31110070      8.23479494     -8.65736376
  H     11.57262184      8.56784363    -16.83224280
  O     15.34576136      4.77072691    -17.56521221
  H     15.36489302      7.51458612     -9.53094305
  H     20.32509596      6.82504147    -14.67323643
  O     19.86348992      5.85844556    -16.03145719
  H     13.85464975      5.71176814    -12.30126880
  H     21.42364970      7.43633210    -13.76936543
  O     16.76775382      7.86019429    -15.19452964
  H     15.18832087      5.72390627    -13.07421724
  H     17.46950123      5.77941399    -12.55267419
  O     12.93872452      9.98880556    -14.38063299
  H     15.80733089      9.23008781    -12.54394632
  H     17.06559729      4.88441193    -13.76192622
  O     16.17049458      4.05275739    -10.37395793
  H     16.94562722     10.08195535    -13.23536431
  H     16.74184639      5.77010868     -9.74586967
  O     12.40873549      8.33798237    -16.43708601
  H     17.01720309      6.09644979    -15.42924231
  H     17.56390866      6.93142186    -10.33899509
  O     20.49560286      7.49209819    -13.98277841
  H     16.63310039      4.83939722    -16.24005913
  H     14.14235472      8.51245861    -11.23679394
  O     16.91722649      5.02990447    -12.81811625
  H     13.72846016      6.13230519    -10.10456629
  H     14.14078818      7.78366224    -12.59907507
  O     16.92755829      6.71279475     -9.64721427
  H     14.36842051      4.76175947    -10.38221154
  H     18.26592783     10.65931716    -15.00336178
  O     14.13618270      8.66235112    -12.19056881
  H     19.27460708      8.86302287    -16.61796119
  H     18.21982202     12.08491737    -14.40855715
  O     17.70877863     11.28595232    -14.51358747
  H     19.68890869      8.75524521    -15.11833093
  H     14.14542301      8.65823942    -17.07034684
  O     15.08186390      8.84861851    -17.21033725
  H     14.93184169      4.03796985    -18.01214640
  H     15.55952285      8.44490142    -16.46978927
          69
 Energy    -249.60004228339028     
  O     19.18206174      9.76328562    -12.31096190
  H     18.74734782     10.58036931    -12.58066894
  H     12.99363740      7.26779269    -11.55149779
  O     15.63944459      6.19253385    -15.74836211
  H     18.75463333      9.50861853    -11.48265141
  H     16.24943954      9.23859949    -13.39813091
  O     13.25560170      8.66309644    -12.59004189
  H     16.32527949      6.77482335    -16.09575559
  H     16.52517157      8.93033845    -11.87968931
  O     11.44240248      4.59788584    -12.23856931
  H     14.85312605      6.73595455    -15.58264825
  H     18.54192863      7.00036651    -13.68360510
  O     16.55145135     10.14933070    -14.98734366
  H     14.22480094      8.70478779    -12.54539969
  H     19.24212865      8.37108575    -13.50100653
  O     17.74507793      8.00395788    -16.38335259
  H     12.94776356      9.56403984    -12.74215603
  H     13.60873020     11.63972185    -12.74654007
  O     14.19650532      8.12460745     -8.94357982
  H     10.64806415      4.38051230    -11.75747407
  H     12.15480827     12.02009754    -13.11874383
  O     13.96047562      3.24451893    -12.51852082
  H     11.89262881      5.29554586    -11.73354113
  H     15.12002632     11.52563508    -10.97713248
  O     17.54092165     11.96768254    -13.22578884
  H     16.97811447      9.48544916    -15.54062117
  H     15.91383123     12.02161035    -12.21501427
  O     11.95216728      5.17925353    -14.99806816
  H     15.63756640     10.25160467    -15.29663402
  H     13.25488647      7.90422058    -14.26262627
  O     14.43012907      3.73988363    -15.32250727
  H     18.30420175      8.04113169    -17.15458985
  H     12.71918029      6.79486644    -15.20130827
  O     12.97682525      6.49575708    -10.96398424
  H     18.32933878      7.86148512    -15.61474226
  H     13.46827157     10.70721640    -14.93530135
  O     15.97013814      8.71152665    -12.63819992
  H     13.60451644      7.62541519     -9.51816649
  H     13.61900752      9.36013199    -15.67936976
  O     19.13256620      7.63007877    -14.11470358
  H     14.98166064      7.57085026     -8.84561621
  H     15.15517487     11.08994442     -8.52821442
  O     12.82258540     11.35193606    -13.24535974
  H     14.17533817      3.33936799    -13.45487273
  H     14.77787214      9.75590977     -9.21112823
  O     15.03392711     11.98434808    -11.82191415
  H     13.04742029      3.54402509    -12.42722166
  H     16.46214232      6.01479034    -14.08607150
  O     13.30449091      7.56546264    -15.16667053
  H     17.22457298     11.39520980    -13.94685988
  H     16.54491229      7.08036270    -12.98433816
  O     13.92617382     10.27688665    -15.66822938
  H     17.89810278     12.75195051    -13.63591959
  H     17.23590373      8.16245253     -9.85643049
  O     15.25780913     10.59386984     -9.33681917
  H     12.68899954      4.58110291    -15.17336507
  H     16.78883222      9.64765322     -9.84992925
  O     16.84331723      6.18640387    -13.21585044
  H     11.67115859      4.98963686    -14.09418655
  H     16.19284325      5.95417562     -9.80328357
  O     17.41298069      9.02699602    -10.24859592
  H     14.66550189      3.09732619    -15.98786864
  H     17.02704203      5.98638150     -8.50383297
  O     16.56815638      6.54411667     -9.12706157
  H     14.91383988      4.55283101    -15.54136805
  H     15.99850229      5.42223120    -11.86582939
  O     15.43972730      5.09347689    -11.14567548
  H     13.83205141      6.05003057    -11.04414474
  H     14.97038858      4.32613375    -11.50312389
          69
 Energy    -249.59991191647214     
  O     15.95498417     11.87961799    -15.36857089
  H     16.84684822     11.81729805    -15.00920625
  H     17.50979656      8.80292325    -16.86758627
  O     18.38258032      6.92564060    -12.47793711
  H     16.00754852     11.62612299    -16.29908337
  H     16.73588597      8.68088372    -14.67615227
  O     18.55041886      6.91740711    -19.10756417
  H     17.64124840      6.41913203    -12.84426565
  H     15.50970371      8.43193786    -15.58713402
  O     15.95379036      6.38614183    -18.66053452
  H     18.28338616      6.88413093    -11.51794183
  H     14.48985848     11.46485914    -14.55972094
  O     15.19190683      8.01864044     -9.76373716
  H     17.60402927      6.68968412    -19.03216901
  H     13.03619538     11.86900932    -14.21075607
  O     13.86968398      7.14973355    -12.97030494
  H     18.82766223      6.65890714    -19.98164999
  H     16.56812407      5.19095939    -10.29827124
  O     17.22926944      9.38790439    -13.04718632
  H     15.34986020      7.13389049    -18.54637935
  H     16.03907253      4.73807554    -11.66746089
  O     16.61650066      5.54677517    -16.02039618
  H     15.99485668      5.93174688    -17.80987546
  H     13.56196289      9.48659191    -14.99858147
  O     13.48193130      5.82167080    -10.50122241
  H     14.99613135      8.70504963    -10.41509611
  H     13.58239307      7.97583846    -14.65386765
  O     19.97975105      9.75039077    -15.61450405
  H     14.51944361      7.33783896     -9.88933513
  H     19.66132031      7.03808823    -13.75059374
  O     19.28907945      5.54944039    -16.67400247
  H     13.55084380      6.65256796    -12.20699215
  H     21.12739373      6.79971307    -14.16168267
  O     18.08112255      9.16830743    -17.56290634
  H     14.15950254      8.00729068    -12.62513580
  H     16.27120129      5.32816727    -14.27194939
  O     16.46253258      8.28932666    -15.51417525
  H     17.79483990     10.12243281    -13.31625522
  H     15.36569765      6.10048147    -13.27169920
  O     13.66623807     11.15728648    -14.13859503
  H     17.77005195      8.62919637    -12.79299125
  H     18.02024600      6.86666198     -8.92865867
  O     15.91495366      4.61685312    -10.71433076
  H     17.54524785      5.37349272    -16.23552204
  H     16.78134084      7.28446701     -9.75329637
  O     13.67486192      8.60619326    -15.38044324
  H     16.55865288      6.49943741    -15.84852014
  H     16.23531696     11.49513253    -18.85670516
  O     20.29936744      7.16171851    -14.47141346
  H     12.82403504      5.28913523    -10.06304338
  H     16.87490459     10.39235571    -17.98116144
  O     16.14483984      5.53141669    -13.33520771
  H     14.29971820      5.29316009    -10.52904053
  H     14.26695510     10.24504216    -12.60396053
  O     17.61903826      6.78816707     -9.79003405
  H     20.15790855      8.88555945    -15.22564917
  H     15.64307458      9.59518775    -12.33208888
  O     16.10864404     10.98626804    -18.05951227
  H     19.42484254      9.58780549    -16.39034024
  H     19.12420413     12.25830771    -13.88378613
  O     14.72645133      9.63532372    -12.01507647
  H     19.67565599      6.15013361    -16.02649296
  H     19.14999250     10.95376253    -14.71924584
  O     18.57898538     11.53784989    -14.18737204
  H     19.20770317      6.03577680    -17.50401321
  H     14.84208161      9.46560787    -18.14458485
  O     14.36201078      8.63027396    -18.12977426
  H     18.30107631      8.44692488    -18.16596650
  H     13.93315634      8.58778798    -17.26528097
          69
 Energy    -249.59962227275412     
  O     13.03301211      9.35504390    -15.58704090
  H     12.58110066      9.84361268    -16.26925416
  H     16.55916262      4.66902084    -14.27780895
  O     11.23421411      9.18211004    -11.05644810
  H     12.35511521      9.09093639    -14.93719735
  H     14.78322369      7.22410598    -13.81240448
  O     15.66362369      6.43462247    -10.66446505
  H     11.02873969      8.30034839    -10.71851837
  H     14.65639435      8.47396565    -12.94218419
  O     14.67845420      2.43838998     -9.19457786
  H     11.97165998      9.49316303    -10.51974211
  H     11.37055302      7.60375435    -13.59684453
  O     13.48747673      9.81683569     -9.35668064
  H     15.74990663      5.48704738    -10.82967895
  H     11.21050935      8.93680380    -12.86569855
  O     15.72697208      3.78436071    -11.40648572
  H     15.28518845      6.82027226    -11.47022212
  H     18.26769700      8.24370045     -9.99726879
  O     12.39752836      2.38556490    -10.95259565
  H     14.22830489      3.14482261     -8.69706729
  H     17.00260169      7.58261529    -10.59413027
  O     15.09933735     10.17539121    -13.80862193
  H     14.98032927      1.79960178     -8.55479401
  H     17.80366108      9.27792752    -15.92035561
  O     13.24677232      4.38959528     -7.96588348
  H     13.42432618     10.57096482     -8.77600890
  H     17.55939689      8.39752768    -14.66831105
  O     10.77479748      3.83616055     -9.32093213
  H     14.22935118      9.99288935     -9.96176520
  H     14.37594722      6.80716843     -9.46284264
  O     11.22387830      6.47085060    -10.16844750
  H     14.96274037      3.75131782    -12.00140808
  H     13.57870518      8.00747183     -8.90227102
  O     17.19014315      4.86894356    -13.57766561
  H     15.49970340      3.25250170    -10.63410409
  H     16.34215444      9.66913630    -10.97127921
  O     14.56094270      7.51511143    -12.92005701
  H     12.71942369      2.72286192    -11.79814428
  H     15.43760072     10.39876648    -11.99997695
  O     11.26517707      8.54978532    -13.75199399
  H     13.17966869      2.24777000    -10.40385139
  H     17.89185706      6.52271002    -13.44698044
  O     17.65276747      8.29462285    -10.72495192
  H     14.33637032     10.07553308    -14.39208894
  H     18.08802642      7.74527855    -12.50519954
  O     17.11739149      8.91771062    -15.36644152
  H     15.86037921      9.86668435    -14.31865330
  H     12.96103907      6.65146634    -12.74862302
  O     13.63942895      7.04407727     -8.88039639
  H     12.34735155      4.22403402     -8.27569103
  H     11.78714508      6.16253562    -11.86151055
  O     15.55768190     10.22385263    -11.05737715
  H     13.41352469      5.32864631     -8.11769508
  H     14.18801701      7.87659836    -15.77910173
  O     18.17038332      7.45068904    -13.41834884
  H     10.00423196      3.32758446     -9.08376722
  H     15.72787537      7.74688865    -15.73064165
  O     12.18581942      6.07062659    -12.73804985
  H     11.28228708      3.29882841     -9.95520897
  H     14.94580068      5.44323961    -15.66491910
  O     14.90786559      7.23342356    -15.72518428
  H     12.05109481      6.65377779     -9.69896259
  H     15.11634611      4.06437011    -16.33854919
  O     15.03912283      4.49239288    -15.48898914
  H     10.92117078      5.60603648     -9.86610196
  H     12.99685442      4.52376726    -13.03392945
  O     13.55470229      3.74113762    -13.16670436
  H     16.85540937      4.41790425    -12.79222933
  H     13.99693712      3.86618476    -14.01385935
          69
 Energy    -249.59879867927992     
  O     13.52876966      8.89150933     -9.30369911
  H     14.39113113      9.33634543     -9.26715601
  H     17.64559289      5.95213311    -13.90372277
  O     14.05414319      4.58519384    -14.04539502
  H     13.01078840      9.23334663     -8.57885622
  H     16.20107339      9.79859516    -15.49043929
  O     16.18592671     11.58847280    -11.63594886
  H     13.29934630      4.73876341    -13.46390924
  H     15.45933593     10.94553961    -14.71702525
  O     18.24885820     11.23828704    -13.58898458
  H     13.95401820      5.19993510    -14.78330932
  H     15.71309230      8.07260936    -13.81844753
  O     11.07405412      9.43278021    -15.79660389
  H     16.96807546     11.54479690    -12.19834237
  H     15.76816374      6.99620672    -12.71876259
  O     16.25259197      5.37042063     -9.90592168
  H     15.43628982     11.67361913    -12.23924887
  H     13.52871691      7.04681674     -9.83908051
  O     11.88133957      7.62433434    -13.80997496
  H     17.58705067     11.10536323    -14.28939201
  H     14.44880440      5.82895923    -10.05632934
  O     14.11621916     11.40663791    -13.54836695
  H     18.91742774     11.81440493    -13.95006185
  H     15.56439474      4.88588633    -13.15764223
  O     14.08225730     10.90297873    -17.28523476
  H     11.20193307      8.78657457    -15.08904968
  H     16.31382683      5.09007124    -11.78632923
  O     16.14809054      8.04680962    -15.59169273
  H     11.52983181      9.07469014    -16.56835769
  H     11.32011216      4.70134118    -11.86809660
  O     13.67177144      6.79962304    -15.82670816
  H     16.72928013      6.21919946     -9.86950052
  H     12.51869706      5.60093692    -11.48433530
  O     18.16455479      6.57122946    -14.43745918
  H     16.67364836      4.79226940     -9.27537564
  H     17.32669666      8.48074757    -12.51382796
  O     16.18502950     10.75612555    -15.33027774
  H     12.32732882      8.23365157    -13.20415466
  H     18.42566169      9.52526877    -12.79367000
  O     15.58683267      7.93396394    -12.86972243
  H     11.75679938      6.80541993    -13.31480810
  H     16.99408525      8.56247141     -9.64523807
  O     13.54792611      6.14960101    -10.18992806
  H     13.41057016     11.69397870    -14.14037371
  H     17.97863619      8.02580530    -10.69105158
  O     16.35526760      5.25496045    -12.73428051
  H     13.76578527     10.66199553    -13.03702659
  H     12.74132358      8.45339012    -18.81737970
  O     11.96174051      5.30803447    -12.22773066
  H     13.43542039     11.37706659    -16.74758431
  H     13.35099078      9.36016480    -17.72338762
  O     18.27791131      8.64674401    -12.42538879
  H     14.90685272     10.92954109    -16.78589298
  H     16.04879580     10.67126453    -10.17856224
  O     17.50529166      7.78126797     -9.88392982
  H     15.35975554      7.51410134    -15.76149230
  H     16.39497622     10.71350986     -8.67440130
  O     12.84597176      8.54135554    -17.87380833
  H     16.88684991      7.46333446    -15.35951198
  H     11.67325257     11.04479048    -15.53388716
  O     15.98009056     10.17417493     -9.34333477
  H     13.08531744      7.09989897    -15.11743818
  H     11.44703893     12.57525583    -15.58393103
  O     12.11585894     11.90913426    -15.45144804
  H     13.38679905      7.26791715    -16.62191452
  H     13.25380273      9.16995735    -11.13739186
  O     13.34801315      9.20982465    -12.09415436
  H     18.47487272      7.23633928    -13.81068924
  H     14.16615301      8.73081516    -12.31449824
          69
 Energy    -249.59729986679778     
  O     17.83158787     11.61755984     -8.93585087
  H     17.65121195     12.50981151     -8.65068533
  H     16.76063374     10.53736256     -9.99932600
  O     18.46317120      5.89311750     -8.93583161
  H     18.56396277     11.67074629     -9.57488785
  H     19.85262672     11.19546705    -11.60149130
  O     18.46550717      5.58048143    -12.84037074
  H     18.00268895      5.27291355     -9.51496211
  H     20.46641884     10.94739068    -10.21444550
  O     22.24715384      7.26366462    -10.49412126
  H     18.54358250      6.72589868     -9.42703789
  H     16.56895491      8.02668737    -13.74238320
  O     16.95612653      4.36943551    -10.69399376
  H     17.72428988      6.02107943    -13.27615466
  H     15.92657036      7.08163189    -14.78741429
  O     20.29261002      7.56031824    -12.53933127
  H     18.08163180      5.01797520    -12.15787210
  H     13.74544912      3.91965987     -9.94629090
  O     20.76204411      8.60565720     -6.66045468
  H     21.93295800      8.08945509    -10.08761779
  H     13.74528596      5.07587017    -10.95921574
  O     14.65851346      5.18215090     -7.15708857
  H     23.19618478      7.33639312    -10.56597382
  H     13.95579205      7.66072946     -9.13196049
  O     20.99285481      9.41869401     -9.31042783
  H     16.45251758      3.78717093    -10.11175806
  H     15.43916421      7.74494381     -8.69685541
  O     18.69926206      8.24719776    -10.33054840
  H     16.31673303      5.02590315    -11.01041971
  H     15.40512664      6.60197268    -12.37412866
  O     18.03220069      9.49006434     -6.95609306
  H     21.00644607      7.31059335    -11.94010577
  H     15.04256242      6.92022368    -10.87935859
  O     16.42974539      9.87505829    -10.61927204
  H     19.74428127      6.77748080    -12.70956680
  H     20.07928570      9.24630398    -13.06885170
  O     19.90189260     11.55818391    -10.70942395
  H     20.85890692      7.71749938     -7.04933134
  H     20.37143617     10.43588113    -14.01080599
  O     16.29322194      7.10734792    -13.90771560
  H     21.20437726      8.58612013     -5.81628403
  H     17.01339200      8.02866892     -7.14398087
  O     13.16477884      4.54953068    -10.39054400
  H     13.87270172      5.63517031     -7.48493675
  H     17.24115413      6.66478645     -7.84666299
  O     14.81738982      8.00809747     -9.39242830
  H     15.33612216      5.86668478     -7.07027231
  H     11.61413849      6.61538996     -8.45842042
  O     15.07966635      6.22392340    -11.54863523
  H     21.02156032      9.29930443     -8.35288399
  H     12.65510081      5.79771851     -9.26059885
  O     19.86088236     10.17695537    -13.24719303
  H     20.14068716      9.05430861     -9.60297021
  H     16.75959749      9.81591953    -12.40650741
  O     16.57271867      7.20747074     -7.40513186
  H     19.08210029      8.01125454    -11.18504235
  H     17.98275989      9.90032677    -13.35045153
  O     12.54951763      6.51727319     -8.61244548
  H     17.91485766      8.78728561    -10.48281811
  H     21.51041787      6.38010834     -8.83115131
  O     17.06420775      9.61266979    -13.30261037
  H     18.95619325      9.25158001     -6.81420622
  H     20.14387316      5.97157281     -8.25344413
  O     21.03715526      6.25137785     -8.00263842
  H     18.02335070     10.22090134     -7.58428271
  H     15.03692827      3.83020016     -8.21343403
  O     15.17381192      3.13261455     -8.87954298
  H     15.76263670      9.33935091    -10.16771854
  H     15.13849742      2.30121016     -8.41424747
          69
 Ord_Energy   -249.596939    
 O   -3.93588948       1.86490929      -1.40207303    
 H   -4.39878321       1.46813035      -2.15041780    
 H   -3.08681536       2.18806815      -1.73748934    
 O    2.17238283      -1.72508371      -1.43146944    
 H    1.65776658      -2.27959061     -0.834430695    
 H    1.56836247      -1.51323628      -2.15676546    
 O    3.23635364      0.702395022     -0.797761202    
 H    4.13947582      0.762279689      -1.09923971    
 H    2.94073987     -0.208107740     -0.981666327    
 O    2.82286143      0.443416327       2.05437374    
 H    3.00124407      0.703524292       1.14422989    
 H    2.34987354       1.17087162       2.48642516    
 O   -1.36229098     -0.538478673      -5.44384813    
 H   -1.21492326     -0.591198564      -6.38384295    
 H   -1.73471069      0.343894720      -5.26352215    
 O   -3.10088563      0.411672592       3.04280066    
 H   -3.19349170      0.111911952       2.12920856    
 H   -3.31123805       1.35391855       3.03625083    
 O  -0.852873206       3.39375138       1.69370317    
 H  -0.988433838       4.01409626      0.968128026    
 H  -0.715331614       2.51916003       1.29658830    
 O   -1.53048277       2.95824862      -2.36721110    
 H  -0.680798411       2.51856828      -2.22362328    
 H   -1.53027666       3.75206590      -1.81848717    
 O   -3.38454795      -1.63453496      -3.71110988    
 H   -2.70772433      -1.42528093      -4.36681271    
 H   -2.91334844      -1.91026914      -2.91439199    
 O   0.263399363      -3.09483504      0.241557926    
 H   0.372552097      -3.96174335      0.624281168    
 H   0.387028009      -2.45237279      0.962692022    
 O    8.86517465E-02 -0.863467455      -3.09222722    
 H  -0.590806007      -1.23909736      -2.51317191    
 H  -0.298494905     -0.788009107      -3.97235751    
 O   -1.79478204      -2.01440454      -1.38550675    
 H   -1.16196692      -2.49816751     -0.840334356    
 H   -2.27660251      -1.41998208     -0.792449236    
 O   -4.13434029       4.08018637      0.300413191    
 H   -4.23981333       3.29690075     -0.257907003    
 H   -4.04157925       3.76254058       1.20673847    
 O   0.774474502       1.49825704      -1.86948788    
 H   0.557869017      0.696460664      -2.37043405    
 H    1.68406546       1.40283263      -1.56024158    
 O   -2.95649004     -0.111136600      0.274988890    
 H   -3.43423891      0.527292252     -0.271323800    
 H   -2.06817031      0.260647029      0.398175001    
 O  -0.701310754       2.73322989E-03   4.23026943    
 H   -1.58253109      0.129282534       3.83615685    
 H  -0.840961874     -0.280020654       5.13016891    
 O   -2.52949309       1.80833137      -4.75833702    
 H   -2.15717602       2.31463599      -4.02460289    
 H   -3.41230249       1.53592932      -4.47825909    
 O   -4.91431189      0.608616769      -3.69043756    
 H   -5.77571201      0.433105439      -4.05870247    
 H   -4.43698883     -0.240402907      -3.66988969    
 O  -0.439922899      0.916619658      0.558202922    
 H    1.87589601E-02   1.07196832     -0.277099341    
 H    4.27203402E-02  0.246154115       1.05616677    
 O    1.07826233       2.17126036       3.41125703    
 H   0.509198248       2.76287603       2.90467048    
 H   0.489149183       1.50408232       3.78484392    
 O   0.679023385      -1.18261611       2.11167741    
 H   0.194511846     -0.903866053       2.89869642    
 H    1.54000163     -0.733100951       2.12914991    
 O   -1.72067237       5.03917789     -0.467410594    
 H   -2.62818265       4.79325771     -0.208762854    
 H   -1.71184802       5.98495960     -0.587141097    
 O   -3.31422901       3.23605967       2.91095114    
 H   -3.36103988       3.80679607       3.67436242    
 H   -2.41119266       3.31440282       2.55741262    
          69
 Energy    -249.59683803196700     
  O     15.43412867      9.92112230    -13.88956434
  H     14.73935989      9.37496526    -14.24793721
  H     20.10119567     10.15821915     -9.62454346
  O     21.52595291      9.77964589    -15.57233572
  H     16.11491093      9.31441204    -13.53996464
  H     20.07143246     16.62851184    -11.26679322
  O     19.69962588     13.08651606     -9.99860157
  H     22.36879693      9.48197588    -15.90604374
  H     19.49664987     17.99207748    -11.71981393
  O     15.35100691     11.60930068    -11.65182492
  H     21.68980821     10.62193890    -15.11239313
  H     21.18608929     12.69148616    -11.02793087
  O     21.28341701      9.79500571    -10.84373515
  H     18.93739837     13.17222122    -10.58909904
  H     22.57551821     13.25280160    -11.40548636
  O     17.05186296      9.61514385    -10.33234246
  H     19.58615606     12.25577478     -9.52055266
  H     18.24729370      8.32978573    -12.99054846
  O     19.53548862     11.12145237    -17.17414860
  H     15.32414783     11.05656424    -12.44887533
  H     17.25014826      8.67711772    -11.86209882
  O     20.70523951     14.56430054    -15.11953612
  H     14.44501766     11.76022869    -11.39260888
  H     19.66668495     14.01270340    -18.48080284
  O     20.81969496     15.64794452    -10.03492925
  H     21.70648101     10.62198514    -11.10646103
  H     19.60824962     12.83499886    -17.47851635
  O     21.67120069     12.15331842    -14.22156744
  H     20.93831969      9.38903707    -11.64965464
  H     21.36204347     16.69346328    -12.99221739
  O     17.23336809     11.28972165    -15.60428819
  H     17.81588239      9.95921785     -9.85418095
  H     21.77056605     15.70720234    -14.09826849
  O     19.43099844     10.48129336     -8.99484746
  H     16.51419924     10.37249444    -10.58660722
  H     18.78931806     15.92232699    -13.09050445
  O     19.74240936     17.12713432    -12.03656650
  H     20.17711479     10.57386626    -16.70871395
  H     18.11964494     14.52979128    -12.95764583
  O     22.00011075     12.48418332    -11.50863364
  H     18.69072062     11.01430428    -16.71401541
  H     22.96206739     15.41659384    -12.08990319
  O     17.30809663      8.36194139    -12.77785987
  H     19.91474867     14.74190927    -14.58833227
  H     24.19702318     15.27305405    -11.16780035
  O     19.57308660     13.80567074    -17.55510108
  H     20.40383103     14.39360530    -16.02067205
  H     20.56395485      8.98468948    -14.05909574
  O     22.12507532     16.24562456    -13.37835942
  H     21.72420461     15.44985891    -10.30568603
  H     19.58398954      9.81347723    -13.22136306
  O     18.44081696     15.17930396    -13.59890862
  H     20.39625438     14.79250058     -9.87872859
  H     19.90186123     11.79801025    -13.83219231
  O     23.31097636     14.95104618    -11.30825562
  H     21.86900991     12.25951495    -13.27996218
  H     18.45084841     11.43551028    -14.29923576
  O     20.04203601      8.95810437    -13.24953723
  H     21.44397438     13.02374066    -14.57766475
  H     17.92711561     14.06242047    -16.54027293
  O     19.03055428     11.51477027    -13.52837087
  H     16.51531181     10.87658248    -15.11315315
  H     17.50863665     14.51991027    -15.12969260
  O     17.21115210     14.01098711    -15.89460078
  H     17.05326040     12.23960881    -15.69450472
  H     16.80596479     12.75493142    -11.73948526
  O     17.67701078     13.14727080    -11.86545116
  H     19.63671575     10.08940095     -8.15006925
  H     18.17923727     12.52310219    -12.41683052
          69
 Energy    -249.59608115655584     
  O     14.64823775     10.10470007    -16.07850634
  H     13.89690586      9.68194336    -15.64447362
  H     20.29422743      6.43373843    -14.84722555
  O     14.22253251      4.15597141    -16.31074246
  H     14.76664477      9.65548111    -16.92372724
  H     17.71928618      7.56024022    -16.46523751
  O     18.04962899      6.64314122    -11.84511775
  H     14.26418620      4.11042014    -15.34756750
  H     19.20923222      7.20595351    -16.69066307
  O     16.72570577      6.73386026    -18.85889331
  H     13.91147671      5.05227833    -16.50279408
  H     15.48235676      6.85933865    -15.78968117
  O     13.94384743      6.21982642    -10.22343301
  H     18.89139374      6.90604232    -12.23764643
  H     16.32575573      7.37723981    -14.58292557
  O     14.42117410      4.46637492    -13.48867869
  H     17.38310029      7.25360824    -12.19813170
  H     11.66081342      8.86260710    -14.54463494
  O     16.16937856      8.24995930    -12.96841335
  H     16.63774971      5.80809668    -18.60439408
  H     12.88724267      8.10721463    -13.98250265
  O     17.81962407      4.54037856    -15.60432084
  H     17.48370629      7.08630582    -18.37167199
  H     16.46006077      4.10446481     -9.99401878
  O     13.58835438      3.46477431    -10.97162096
  H     14.86031708      6.20551128     -9.92187898
  H     16.64872309      3.41214306    -11.35058420
  O     19.03387833      9.49735626    -14.79058107
  H     13.70428648      5.29567321    -10.37225431
  H     13.20371322      7.41418468    -16.00246059
  O     16.37611917      3.99207432    -17.95648237
  H     15.37565165      4.40163553    -13.34177680
  H     13.98236825      7.40889583    -17.34503466
  O     20.21451945      6.02879705    -15.71840621
  H     14.00322077      4.04668864    -12.72619808
  H     21.11959928      7.91038630    -13.02584323
  O     18.50307432      7.80295414    -16.98235250
  H     16.20650885      9.16223115    -13.28196464
  H     19.82977455      8.32267070    -13.77125573
  O     16.37053590      6.89421783    -15.41645236
  H     15.24850344      7.98054400    -12.85312407
  H     17.52858398      5.03273520    -12.59700780
  O     12.56462787      8.62748039    -14.73855438
  H     17.49035471      4.17114337    -16.43143066
  H     17.49000713      4.14034791    -13.86755977
  O     16.24714011      3.29648520    -10.47754447
  H     17.31676681      5.36193889    -15.48278770
  H     17.27491691      6.22354940    -10.28328632
  O     13.73673018      6.86215662    -16.58663184
  H     13.08705350      2.72365604    -10.64336490
  H     17.19084070      6.28290217     -8.74291936
  O     20.24770458      7.60410944    -13.26262578
  H     14.52162820      3.29706956    -10.74574692
  H     15.49520479      7.93471844    -18.69675955
  O     17.16538397      4.21349295    -12.95989231
  H     18.22210499      9.98269131    -14.60825629
  H     14.50673413      8.91530932    -19.36714851
  O     16.74206058      5.95258353     -9.51742674
  H     18.90978937      9.07486908    -15.65149578
  H     13.90410847      6.21148739    -13.18675061
  O     14.77341859      8.56566524    -18.52130426
  H     15.58339798      3.98731475    -17.38954942
  H     13.66015383      6.92146681    -11.84127675
  O     13.67033184      7.06720992    -12.79902439
  H     16.29579625      3.24666059    -18.54565095
  H     16.40906885     11.64406743    -13.98770535
  O     16.49258160     10.72137763    -14.21268020
  H     19.50492415      5.37505816    -15.64823651
  H     15.86602622     10.55085764    -14.93879517
          69
 Energy    -249.59595286735839     
  O     18.95803075      7.83593109    -12.79763114
  H     18.66881931      7.04607720    -12.32688774
  H     13.55337044      7.71258353    -16.52897348
  O     14.22712478      9.30336608    -17.21468501
  H     18.76745398      7.66963974    -13.72930541
  H     13.50400586      7.01597739    -10.98492604
  O     13.12924992      8.60142885    -11.77171069
  H     14.18775670      9.65542441    -18.09984465
  H     14.37339270      5.75509469    -11.31394230
  O     11.70761109      4.57867669    -11.51769572
  H     15.14988062      9.39536436    -16.91649384
  H     15.97378581      9.28144636    -13.17621099
  O     12.88802551     10.49655982    -14.97162788
  H     13.95684219      8.54477160    -12.27282937
  H     15.99437755      8.26921709    -11.97957400
  O     16.62719279     10.85669980    -13.82931716
  H     13.19451568      9.43673403    -11.28662256
  H     18.58285781      6.57564103    -16.06360324
  O     16.74906992      9.57054785    -16.28405000
  H     12.34229744      5.11868681    -11.02964219
  H     17.28124305      6.82988072    -15.26682389
  O     13.38782478      3.02471276    -13.26935509
  H     12.23468729      3.92861310    -11.99784085
  H     14.75289033     10.86492324    -10.42488653
  O     18.65346234     10.42601325    -11.95306572
  H     13.32230997     10.16232969    -15.76533483
  H     13.94756099     11.51395861    -11.56810791
  O     10.18357861      5.76974505    -13.43235784
  H     12.31690037      9.78361164    -14.66062859
  H     17.25608295     10.47941251    -10.60387356
  O     12.13108968      4.54016463    -15.13291090
  H     15.89956161     11.44323396    -13.58275364
  H     16.43851156      9.39615306     -9.89505305
  O     13.25931618      6.98631474    -15.96505489
  H     17.33218092     10.91730711    -13.17219669
  H     11.01661549      7.40355598    -13.83521256
  O     13.86030809      6.19090744    -10.61898061
  H     17.32484509      8.82012513    -16.10213668
  H     12.08263544      8.30093404    -13.16197960
  O     15.63931577      8.43209279    -12.86236022
  H     16.75301214     10.11034481    -15.48041602
  H     13.92165506     13.09356617    -13.51773712
  O     18.15799718      7.19591560    -15.47618425
  H     13.29507097      2.10129986    -13.48738493
  H     13.71574964     11.61465180    -13.91967469
  O     13.85204394     11.01794762    -10.74688930
  H     12.97562038      3.52772985    -13.99554511
  H     15.65511512      7.19452215    -14.05222623
  O     16.48370767     10.35076287    -10.04271694
  H     19.51503344     10.79472518    -11.77636639
  H     14.83760696      6.55230965    -15.20495973
  O     11.63649904      8.12268071    -14.00462095
  H     18.79658614      9.50197660    -12.22383741
  H     16.93775786      6.88279155    -10.45680179
  O     14.23539298     12.20900329    -13.34853445
  H     10.66956634      5.37954686    -12.68384626
  H     15.44803789      7.11462260    -10.11321516
  O     15.64817271      6.45893098    -14.68879878
  H      9.25780861      5.60571605    -13.27407108
  H     17.04184326      5.17111387    -11.80459567
  O     16.29878116      7.56240911    -10.21220897
  H     12.54462141      5.28564971    -15.58649739
  H     18.32498979      4.80284897    -11.02682730
  O     17.85594655      5.53565326    -11.41877614
  H     11.36821364      4.90897403    -14.66926711
  H     14.82406296      4.05572452    -12.73735438
  O     15.45377752      4.76148007    -12.54467681
  H     12.69931659      7.38342522    -15.28045450
  H     15.52204052      5.29446793    -13.35127935
          69
 Energy    -249.59590606695610     
  O     14.53276448     12.89899086     -9.94752612
  H     14.46640832     11.96553284    -10.20898586
  H     12.54456241     11.86770199    -13.36209508
  O     12.99623933     11.40819533    -17.59924320
  H     14.33925535     12.93376032     -9.01348579
  H     13.49847674     14.07916705    -15.97757015
  O     17.19404673     10.26198902    -11.56418664
  H     12.83334511     12.22678823    -17.09625668
  H     12.20702973     13.61942550    -15.26630357
  O     15.21683125     16.28890366    -13.33009304
  H     12.39556179     11.41335592    -18.33925090
  H     12.17111457     13.93429414    -12.90871858
  O     13.62024292      9.67258512    -15.49437555
  H     17.39679971     11.19103947    -11.38285642
  H     10.68273402     13.63901558    -13.21697286
  O     16.92531129      7.52401682    -12.09928524
  H     16.24475081     10.19588427    -11.39241772
  H     18.19629060     13.72900943    -15.74903738
  O     16.52021484      6.79837771    -14.68602237
  H     15.18500908     15.81650824    -14.17960730
  H     18.54193335     12.69031889    -14.67553380
  O     15.54129551     12.67180803    -13.68317676
  H     15.09361114     17.21469785    -13.52602409
  H     14.90025929     11.45773877    -17.78407320
  O     14.39732717     10.30702222    -10.95384025
  H     13.28904927     10.17581472    -16.24828460
  H     16.11136522     10.65093933    -17.27495413
  O     16.34052985      9.29381373    -15.98385541
  H     14.57063374      9.55566236    -15.64211835
  H     14.66233092      7.02459195    -14.26040483
  O     17.12507350     13.82532883    -17.35389239
  H     16.06075090      7.42669326    -11.68167523
  H     13.56034153      8.07494494    -14.47773670
  O     13.22204222     11.19172038    -13.24023769
  H     17.21963861      8.41793576    -11.87951695
  H     18.13459040     14.72025551    -13.46607388
  O     12.65206747     13.63453498    -16.12154527
  H     16.75582146      7.04672142    -13.77384890
  H     17.00814833     15.63532501    -12.90616817
  O     11.57178512     13.43750399    -13.49560825
  H     16.99288746      5.99409764    -14.88257685
  H     17.66372312     10.60243451    -13.37646939
  O     18.60762330     13.63014988    -14.88239970
  H     14.73342616     12.17903330    -13.49479642
  H     16.89363020     11.60713906    -14.23275788
  O     15.86397223     11.45743849    -17.74473229
  H     16.01147209     12.81948325    -12.85199545
  H     14.01709623     15.23681313    -12.27447937
  O     13.80983828      7.32651441    -13.92140083
  H     13.92716369     10.58773199    -11.75527749
  H     13.76256030     14.13556302    -11.20492995
  O     17.81109039     15.16115803    -12.66520596
  H     14.26972508      9.35261885    -10.88987233
  H     13.69860763      6.82592260    -10.79673845
  O     17.63758570     10.98486169    -14.26237562
  H     16.46329727      8.38928527    -15.67255325
  H     13.96008727      7.45623485    -12.18509672
  O     13.33633180     14.67959354    -11.87733724
  H     16.88198240      9.85663644    -15.40930267
  H     16.29476238     13.16731886    -10.68823737
  O     14.17307469      7.52622347    -11.23660819
  H     17.52095941     14.09969766    -18.17656092
  H     17.38499074     13.81785620    -11.62638326
  O     17.03815345     12.98383016    -11.27267840
  H     16.70925651     12.96005000    -17.51923325
  H     15.33957621     13.93364552    -14.87696219
  O     15.19186351     14.65156011    -15.51619506
  H     13.28359480     10.65691507    -14.04470188
  H     15.83965877     14.52187582    -16.21897709
          69
 Energy    -249.59494376436581     
  O     18.44398142     10.33620605     -6.95326868
  H     18.40233695     10.90324306     -6.18755795
  H     17.10080390      9.95580519     -8.16542239
  O     18.69007559      5.63445584    -10.32170814
  H     19.00896688     10.78716280     -7.60591097
  H     19.75097410     11.66051489     -9.77790084
  O     16.71778228      5.47353565    -12.27860719
  H     18.06005238      5.44827276    -11.02933637
  H     20.61317725     10.66356987     -9.00096218
  O     17.89447919      7.97732448    -13.03819692
  H     18.71552812      6.60048078    -10.23550247
  H     15.88259041     10.19560056    -12.44134231
  O     22.21123980      7.93663425    -11.73667879
  H     16.31885164      4.61550683    -12.08658604
  H     15.03672272      9.96681995    -13.72138461
  O     20.20887878      9.55650811    -13.02295973
  H     16.04978501      6.12442291    -12.01366682
  H     13.71493391      4.38196601    -11.32863677
  O     21.53204445      6.83842649     -7.64734272
  H     17.08962527      8.49793681    -13.16362289
  H     13.54783609      5.90668007    -11.43277303
  O     15.27666590      3.82267068     -8.60209519
  H     17.62309915      7.05416436    -12.96755656
  H     14.32453035      6.91418366     -8.52501986
  O     21.18689852      8.97354100     -9.41285270
  H     21.96237405      8.38038874    -10.90741241
  H     15.86908648      6.84194438     -8.45239284
  O     18.64061818      8.38800927    -10.32331000
  H     23.14049080      8.10995311    -11.87119454
  H     14.92602808      8.12142052    -11.97175118
  O     18.89826589      7.48411382     -6.69632615
  H     20.91337142      8.97889023    -12.70698786
  H     14.93463088      7.45154938    -10.55126207
  O     16.59368402      9.73963177     -8.95839659
  H     19.46095922      8.97823725    -13.22465279
  H     19.70650092     11.00329213    -12.13517102
  O     20.01937628     11.41921639     -8.88361337
  H     21.52870180      6.31314369     -8.46777153
  H     19.68921157     12.54591985    -12.14844413
  O     15.52914108      9.51426476    -13.04262224
  H     22.20058618      6.46087895     -7.08211143
  H     17.75545102      6.30852285     -7.40661769
  O     13.08354654      5.09606631    -11.17860480
  H     14.46575447      4.31366259     -8.42402279
  H     17.75199116      5.57019798     -8.76698886
  O     15.12943948      7.41257310     -8.71098671
  H     15.99383718      4.37159235     -8.25663021
  H     12.11762983      5.49680338     -8.12297046
  O     14.77864318      7.29751296    -11.49305761
  H     21.37768769      8.33685553     -8.71255076
  H     12.90555006      5.39150771     -9.45119553
  O     19.38392063     11.78678226    -11.65727636
  H     20.28339482      8.79241432     -9.72239195
  H     16.55045610     10.82051212    -10.42935092
  O     17.21827818      5.74135397     -7.97863930
  H     18.42217698      8.37725327    -11.26409009
  H     17.54857913     11.47383490    -11.41977588
  O     12.98942453      5.57949623     -8.49912529
  H     17.93115901      8.85105754     -9.86098906
  H     21.72663032      6.24142801    -10.77286872
  O     16.62354902     11.22406492    -11.30585747
  H     19.80470132      7.27717012     -6.95465397
  H     20.50998471      5.46260371    -10.22636282
  O     21.45374264      5.62671195    -10.08298512
  H     18.80511577      8.44207989     -6.74701114
  H     15.34868948      3.40123259    -10.30524716
  O     15.30588080      3.25109543    -11.26692729
  H     15.99515991      9.00899648     -8.75126941
  H     15.32151081      2.30658000    -11.39615844
          69
 Energy    -249.59454503313543     
  O     11.77405248     10.70132202    -15.49056217
  H     12.17767533     11.53174281    -15.21364029
  H     18.65859492      8.91890394    -13.23236535
  O     15.83632513      7.02529417    -13.38531816
  H     12.42353103     10.27008203    -16.06321167
  H     16.29404381     12.38243372    -15.12120406
  O     16.18976690     11.05414649    -11.27092224
  H     16.47207875      7.44050813    -12.78587814
  H     15.83932131     11.94813785    -16.51631426
  O     17.16735588     11.37094798    -13.84674502
  H     15.04188218      6.82248342    -12.87349800
  H     15.30830624      8.64234380    -14.03147215
  O     13.53815863      6.61837334    -16.87505392
  H     16.70945492     11.35968588    -12.02617829
  H     14.61613091      9.48019374    -15.14944093
  O     13.16254645      8.61931874     -8.95500085
  H     15.27060723     11.13760448    -11.56505021
  H     10.97408398      9.57835884    -14.44365474
  O     13.48500065      6.67486296    -11.97984136
  H     16.44638755     10.75203178    -14.04325896
  H      9.62785802      8.95350883    -14.00700073
  O     13.74187227     11.15019796    -12.54544011
  H     17.97857339     10.84862335    -13.91577025
  H     16.36193147      8.30587276     -8.99284396
  O     14.12005865      6.10643531     -9.30269888
  H     13.09508856      6.00336552    -17.45308612
  H     15.90167545      6.87669999     -9.32023718
  O     18.02426544      8.49405120    -16.58505789
  H     13.06373422      6.59409720    -16.02347920
  H     12.65232921      6.49234004    -13.66485146
  O     16.26296398      6.54228802    -16.05247460
  H     12.70589859      8.87341771     -9.76812537
  H     11.60722013      7.39109311    -14.34937007
  O     19.05203302      9.38159029    -13.98430860
  H     13.92257726      9.20761231     -8.86426001
  H     17.05634759      9.33905623    -11.62225856
  O     15.66197075     12.59339239    -15.82381922
  H     13.06848754      7.53481936    -11.82490684
  H     17.35429735      8.01438549    -10.89587815
  O     15.06368978      9.53744335    -14.29731753
  H     13.69337966      6.31369996    -11.10970272
  H     15.88286328     10.48649894     -9.60395049
  O     10.56997509      8.90280625    -13.86932608
  H     14.15237090     10.51670397    -13.15837321
  H     15.91224516     10.68059262     -8.07360529
  O     16.67391324      7.45443938     -9.32498149
  H     13.49335788     11.90588142    -13.08944880
  H     16.67993551     10.64222359    -18.52313883
  O     12.23446480      6.67669559    -14.51523957
  H     13.80755780      5.49116986     -8.64495916
  H     16.95225902      9.80140103    -17.25815976
  O     17.48450291      8.48200381    -11.73473050
  H     13.72684219      6.97288469     -9.08928593
  H     12.68894407      9.90115745    -11.81784418
  O     15.62352594     10.08299831     -8.75939115
  H     17.40087302      7.76327220    -16.41887993
  H     11.49469249      9.02642355    -12.23894970
  O     16.32476409     10.42023102    -17.66534213
  H     18.79422819      8.10683754    -16.99525928
  H     14.09529481     12.88496666    -15.08371187
  O     12.16937671      9.12712828    -11.55610738
  H     15.37035447      6.47455556    -16.40902995
  H     13.01707666     13.91971487    -14.69209854
  O     13.24771529     12.99759691    -14.61781160
  H     16.16130532      6.56906586    -15.08890571
  H     14.64646831      9.70360062    -17.26672480
  O     13.84202035      9.39725405    -16.83003724
  H     18.68966510      8.98391727    -14.78455844
  H     13.75833547      8.44481132    -16.97188071
          69
 Energy    -249.59354612103800     
  O     18.32166772      9.33640721    -10.55764327
  H     18.01096278      8.52521467    -10.13595806
  H     17.27232452     11.81791058    -12.16707964
  O     14.28859782      9.43474343    -10.15776551
  H     17.57709686      9.73962761    -11.02206990
  H     19.25451804     10.32392892     -9.37040105
  O     19.11243176      3.44400144    -11.62910515
  H     13.36061007      9.64573958    -10.08469219
  H     19.85866226     10.33183300     -7.94137799
  O     21.48826276      7.02921882    -11.98496951
  H     14.72534038      9.83767241     -9.38908643
  H     20.06155628      9.92402938    -13.05411825
  O     15.59281106     10.60410406     -8.03572481
  H     18.91869517      2.51357430    -11.55839883
  H     19.31424652      9.09112996    -11.99700366
  O     23.02979537      8.46728912    -10.13978695
  H     18.27980335      3.88886455    -11.87157821
  H     20.93591073      5.64939277    -13.17727044
  O     17.21319053      8.62470274     -7.22039740
  H     20.96732998      7.75886651    -12.35032149
  H     20.06663502      4.38179441    -13.08069345
  O     21.21933710      7.30828527     -8.25405207
  H     22.14602048      7.43570820    -11.40761396
  H     16.26938485      5.42662415    -11.93845615
  O     19.94833113      9.01895001     -6.60699692
  H     15.24509888     11.04108954     -7.26211655
  H     17.45352628      5.62732445    -12.89798870
  O     17.45077848      6.95944543     -9.43302086
  H     16.19320051      9.90653839     -7.71362754
  H     16.08743546      9.62146425    -12.81906810
  O     17.53829604     12.51316710     -9.17056906
  H     23.96685767      8.59579441    -10.02128142
  H     15.42966508     10.10439091    -11.50401820
  O     17.96752457     12.44294136    -11.92885502
  H     22.64423293      9.34697348    -10.30592203
  H     15.40678668      7.95479242    -14.66905808
  O     19.75751156     10.86359916     -8.73917742
  H     17.25481855      7.93064600     -7.89297466
  H     16.77163460      7.66128573    -14.00703996
  O     19.77154999      9.02770663    -12.85012571
  H     18.11897257      8.75556245     -6.91506006
  H     21.46147248     11.21287174    -11.35709311
  O     20.36604506      5.06289367    -13.69414981
  H     20.74280126      6.65275183     -8.77807701
  H     21.20162818     10.97473644     -9.85696545
  O     16.99257898      4.96079400    -12.37047627
  H     21.88151009      7.69457927     -8.84060751
  H     15.45721569      7.33915220    -12.17880233
  O     16.15052614     10.28456463    -12.12017488
  H     20.41298086      8.36688901     -7.16303636
  H     14.87618396      7.71443027    -10.80755634
  O     15.90259251      8.07366116    -13.86284482
  H     20.39624660      9.03139346     -5.76581485
  H     19.02951410      6.23378873    -14.05331632
  O     21.86487569     10.86658852    -10.55361850
  H     16.74684064      6.81269658    -10.07609911
  H     18.83250951      7.71019133    -13.64415500
  O     15.30706378      6.99636549    -11.28706497
  H     18.22561380      6.44313973     -9.69641946
  H     20.70198444     12.42459157    -13.48632535
  O     18.35941866      6.92640660    -13.95988454
  H     18.37026570     12.09562124     -8.90528921
  H     19.54715055     12.04574561    -12.53178173
  O     20.41006601     11.75212138    -12.87717645
  H     16.84869233     11.92829879     -8.84052795
  H     19.65417958      4.84284604    -10.51738698
  O     19.83311078      5.71538046    -10.14653785
  H     17.83843665     12.61192157    -10.98438188
  H     20.37481181      6.18061297    -10.80015892
          69
 Energy    -249.59292603900943     
  O     11.27640649     11.79320813     -9.47864179
  H     11.63591737     10.93477914     -9.22440026
  H     17.66985320      8.06096577    -10.39856484
  O     14.07254119      8.34022770    -17.62174224
  H     11.00081607     11.72876852    -10.40049984
  H     14.20759253      7.78857298    -11.83028595
  O     14.49938860      7.92657122    -14.86989402
  H     14.52550387      8.08606840    -18.42122430
  H     15.02517857      7.46798850    -13.09191374
  O     12.85747539     13.96341076     -9.09424913
  H     13.90875752      9.29833839    -17.68643561
  H     12.86708911     13.95016044    -10.95852567
  O     13.39304702     10.97434223    -17.73712500
  H     13.58895191      8.12723492    -14.60547464
  H     11.95002132     13.34229096    -12.05042364
  O     11.89523940      8.64514567    -14.13669627
  H     14.49976612      7.95298550    -15.83469182
  H     12.43526452      8.76053898    -10.52132106
  O     12.62929589      9.39738482     -8.72514582
  H     12.45456463     14.57957742     -8.48853183
  H     12.99160118      9.59262411    -11.69249991
  O     13.94191088     11.09691025    -11.95095767
  H     12.27172722     13.18625417     -9.13943728
  H     17.49981872     10.13185781    -11.86855306
  O     16.96585491     13.40218870    -11.71673669
  H     13.68771807     11.57724105    -17.04058920
  H     17.44088164     11.64309712    -12.23884389
  O     10.50274986     12.16269305    -12.26863896
  H     12.42956157     11.00057434    -17.71413848
  H     12.38176533     11.79281708    -14.89416066
  O     14.00781071     12.39857424    -15.40628345
  H     11.79860357      9.59341763    -14.30094867
  H     11.08033336     11.24514374    -15.54195066
  O     17.01135552      8.69813910    -10.66163262
  H     11.95879255      8.53731990    -13.17855505
  H     15.48149768     12.15977438     -9.25517450
  O     15.07685559      7.49242056    -12.12836900
  H     12.64573892      8.95131364     -7.88259893
  H     14.68800866     13.47747586     -9.21093016
  O     12.82375656     13.72268733    -11.89605475
  H     13.53409649      9.71104715     -8.89777183
  H     15.25191169      9.54146426    -14.43364601
  O     12.58369793      8.73907555    -11.47229548
  H     13.64256689     12.01216088    -11.97573358
  H     16.30116242     10.50235306    -13.74921287
  O     17.60590120     10.75912826    -12.59316662
  H     14.48288906     10.92972150    -12.73490092
  H      9.81063136     10.79559394    -17.82196204
  O     11.52442068     11.38750199    -14.69596364
  H     16.47057731     13.34623401    -10.88184511
  H     10.73294890      9.74435435    -17.15698432
  O     15.56391185     13.11360993     -9.38587508
  H     17.67031032     14.02971252    -11.56971221
  H     15.80469081      9.76886162     -9.77702183
  O     15.44481179     10.45668104    -14.19928421
  H     10.82965820     11.84778969    -13.12808616
  H     14.71099383     10.67314291    -10.39237406
  O     10.55626373     10.69935105    -17.23637408
  H      9.58807313     12.40159702    -12.40112517
  H     15.68162457     13.99806501    -13.08036712
  O     15.07030924     10.35269431     -9.54861791
  H     14.57501269     11.68136326    -15.08123677
  H     14.16907541     14.25258247    -13.04140121
  O     14.93954051     14.28288023    -13.62590205
  H     14.31153680     13.18815217    -14.93904903
  H     11.39610778      8.10989971    -15.87292258
  O     11.30826397      8.12018084    -16.83631834
  H     16.36169418      8.22066562    -11.20964790
  H     12.20620427      8.03560318    -17.18074450
          69
 Energy    -249.59244613328741     
  O     17.83123320      8.84375665    -10.27807140
  H     17.13379113      9.45643575    -10.54481391
  H     18.87303237     12.10205943    -10.96399923
  O     13.84962828     10.00984823     -9.77997330
  H     17.42810817      7.99741197    -10.04371663
  H     19.00152638     10.50382815     -7.90668906
  O     20.60272979      6.66529186    -12.33984995
  H     13.04391218     10.41347492     -9.46900298
  H     18.87757743      9.34996335     -8.92020189
  O     15.65006416     10.01809437     -7.80114171
  H     14.45465200      9.97439659     -9.01567457
  H     19.66834683      9.90739525    -12.53225280
  O     19.11056283      5.47861596    -14.35953602
  H     21.35367582      6.79745434    -11.74804510
  H     18.76953802      8.94180738    -11.72736440
  O     22.47604340      7.20631399    -10.31517525
  H     20.18728112      7.53394538    -12.44537592
  H     17.97153077      4.34018362    -13.22431281
  O     16.67701001      7.53200697     -7.15409155
  H     16.00142390      9.16378517     -7.50784984
  H     16.69791587      4.54105320    -12.38522051
  O     20.89030496      5.93246592     -8.55338389
  H     16.36434734     10.65906972     -7.73467161
  H     15.22019463     10.57516480    -10.85039973
  O     19.51701670      7.47056212     -6.59920888
  H     19.73227253      5.82081956    -13.69567576
  H     15.80792906     10.38261533    -12.27384845
  O     16.84401329      6.34245136     -9.68248628
  H     19.63853319      5.11073920    -15.06407022
  H     15.97631297      8.83398466    -14.01023381
  O     17.84430794     11.93853292     -7.80574461
  H     21.95378769      6.75338286     -9.62724361
  H     15.04505345      9.84509775    -14.71432675
  O     18.08176326     12.35230849    -10.47371934
  H     23.38204191      6.93506980    -10.19359555
  H     20.93472704      9.85326464     -9.26461767
  O     19.42969629      9.68936397     -8.19794904
  H     16.61063706      7.00683196     -7.96369255
  H     21.94114143      9.02587799    -10.09838616
  O     19.22911322      9.05106182    -12.57655844
  H     17.58294923      7.41693329     -6.84805544
  H     13.69354799      8.63381452    -11.12289840
  O     17.47572659      3.97513901    -12.48181868
  H     20.40265619      6.36463932     -7.84224617
  H     14.07724915      8.60949015    -12.61339789
  O     16.01743651     10.69370582    -11.38517543
  H     20.24418393      5.45494452     -9.09109637
  H     17.81662834      6.88260695    -14.28782173
  O     15.29774768      9.51176988    -13.85685312
  H     19.85807628      7.66913075     -5.73032903
  H     17.97466556      8.21628832    -13.53334596
  O     21.59005341      9.91479678     -9.97312789
  H     19.53683435      8.30068249     -7.10617648
  H     21.08355391     12.07801428    -12.23277216
  O     13.70361322      8.06999564    -11.90603757
  H     17.65704361      5.84441740     -9.84408292
  H     20.92240214     10.94667087    -11.18787949
  O     17.32080894      7.64309566    -13.96282510
  H     16.29734394      6.22391536    -10.47073211
  H     14.84403242      6.67790604    -12.04925481
  O     20.45299855     11.46181544    -11.87023697
  H     17.92990985     12.15664270     -8.75183604
  H     16.22057018      6.64228724    -12.74947939
  O     15.63703730      6.13542798    -12.17123074
  H     17.81257478     12.76635361     -7.33444048
  H     19.62684001      5.59400753    -11.11935094
  O     19.13407442      5.00796104    -10.53028309
  H     17.34222604     11.88021922    -10.88139346
  H     18.57904665      4.46431876    -11.10834384
          69
 Energy    -249.59243205892676     
  O     12.96461674     10.08489928    -15.55782763
  H     13.73705267      9.52565452    -15.37830195
  H     15.52909772      3.89738760    -14.82106676
  O     15.52489788      6.61335929    -13.11360882
  H     13.28649847     10.99457647    -15.57667624
  H     19.05250056      6.76529097    -14.15412989
  O     17.25873958     10.32127981    -11.51696335
  H     16.29229213      6.90485590    -12.60560041
  H     20.39858290      6.74514786    -13.39122695
  O     18.61208650     10.81903452    -16.18450514
  H     14.76000686      6.71494002    -12.53234037
  H     15.87463844     10.96415239    -17.81576903
  O     13.34680398      6.18847004    -16.09658441
  H     16.65204351     10.67776834    -12.18318477
  H     16.96113377     11.46992733    -16.83804811
  O     15.37177627      9.91227237     -9.52973102
  H     16.74385509     10.29844562    -10.69762937
  H     15.33725414      7.99262458    -14.32763560
  O     13.58029980      7.10777997    -11.21590343
  H     19.42587827     11.20672586    -16.49635822
  H     16.00365638      8.64269995    -15.57351081
  O     15.33950065     11.03840982    -13.34306991
  H     18.76302392     10.57089322    -15.25504531
  H     11.80567122      9.76041884    -14.27818598
  O     17.30460382      8.43936302    -16.89214891
  H     14.13003815      5.66726852    -15.89619254
  H     10.38862773      9.85400778    -13.66150111
  O     15.77785554      7.04319555     -9.40962398
  H     12.88579207      6.32473481    -15.25648572
  H     12.45507794      6.67512957    -12.74604665
  O     18.16028172      6.19101237    -15.50854260
  H     14.58910649      9.98612473    -10.09087668
  H     11.68752123      7.65073833    -13.63166878
  O     15.71748037      4.78378165    -15.12059690
  H     15.44595343      8.97666180     -9.30817464
  H     18.57843422     10.19270447    -12.87230174
  O     19.53034159      7.13881873    -13.39124418
  H     14.19900550      6.97001375    -10.48862300
  H     19.29512165      9.02610703    -13.58930144
  O     16.09548550     11.68170796    -17.20924933
  H     13.50194737      8.06731754    -11.32866416
  H     18.32098726      7.33121947    -12.02251175
  O     15.35344800      8.78627571    -14.87625247
  H     15.01154006     11.72533357    -13.93293841
  H     17.46953915      8.52106299    -11.49381851
  O     11.27341849      9.54023065    -13.49383195
  H     15.43284892     10.23935910    -13.88680546
  H     15.50464334      9.31630508    -19.78032945
  O     12.08816234      6.77342142    -13.63226970
  H     16.74768394      8.65403260    -17.65198270
  H     14.71140030      8.99115062    -18.49238889
  O     19.07351943      9.96172186    -13.66793784
  H     17.84311419      9.22008319    -16.70620077
  H     14.04785801     10.31440927    -12.20917414
  O     17.56475532      7.55692199    -11.46612871
  H     16.48069331      7.13691063    -10.07413238
  H     12.58117065      9.83592678    -12.15975042
  O     15.53929302      9.38065827    -18.83021535
  H     16.13780688      6.51470017     -8.70175875
  H     14.05892022     13.50082122    -15.63023363
  O     13.39927448      9.86796814    -11.64769871
  H     17.90562730      6.92305447    -16.08785240
  H     14.93356553     12.32012000    -16.12102678
  O     14.26813291     12.58710374    -15.45970038
  H     17.39513597      5.60548155    -15.46956210
  H     13.31039735      7.54126627    -17.27238836
  O     13.29413130      8.37192283    -17.77304998
  H     15.62264477      5.36641714    -14.34632963
  H     12.95711688      9.03390065    -17.15835721
          69
 Energy    -249.59239308259134     
  O     12.52756776     11.34632514    -13.89231354
  H     12.62883704     10.57943612    -14.47196110
  H     20.75482872      6.83650060    -14.43256850
  O     15.99357395      6.52601093    -13.07196220
  H     13.19725861     11.97633770    -14.18696404
  H     15.37611789     10.82561903    -17.28671630
  O     18.24433055     10.23337196    -11.58138249
  H     15.24784979      6.77522697    -12.51032539
  H     16.76139997     11.21359167    -16.69443086
  O     18.56024556     10.76325032    -16.39200967
  H     16.81098551      6.76585139    -12.61468630
  H     15.97364671      8.02005897    -14.08332141
  O     14.65554924      9.84643592     -9.11587350
  H     18.01820374     10.30610791    -10.64674134
  H     16.15584129      8.45421453    -15.54891180
  O     13.67804809      7.41522593    -11.75556290
  H     17.50066696     10.60099324    -12.08415683
  H     17.70139314      7.19744003    -10.21460123
  O     16.15338138     11.02512753    -13.13973842
  H     19.19599941     11.28910834    -16.87278793
  H     17.39109024      8.23242800     -9.11845731
  O     16.07485595      7.40828105    -17.14500776
  H     18.92761568     10.64348469    -15.49846929
  H     12.75684894      6.88546110    -13.21031971
  O     14.55756456      6.95653379     -9.15199208
  H     14.28274854     10.07921534     -9.97725912
  H     11.50644325      6.27983930    -13.88388057
  O     18.73081990      7.90760249    -16.58639942
  H     14.49345459      8.90197673     -9.00630719
  H     19.33269316     10.33705365    -13.11583006
  O     14.73267274      5.68398405    -15.44087689
  H     13.70908051      8.38320334    -11.79114568
  H     19.94008470      9.26390398    -14.03652844
  O     19.97029620      7.34489538    -14.24442902
  H     13.86996442      7.16295904    -10.84327166
  H     18.30314933      8.42556384    -11.84140336
  O     15.85656263     11.52433126    -16.82971206
  H     15.76404305     11.77295286    -13.60790256
  H     18.94233111      7.30926691    -12.70286830
  O     15.92184348      8.78431625    -14.67362923
  H     16.15082170     10.27425369    -13.75506800
  H     17.57315296     10.64362452     -8.12988979
  O     17.23513104      7.31536175     -9.37704755
  H     15.57270662      6.73565420    -16.65867920
  H     16.37366321     10.12568136     -8.95883474
  O     12.34664324      6.69150803    -14.06988450
  H     15.44294695      7.98864420    -17.58383700
  H     13.71671829      9.28866383    -17.06689121
  O     19.71806697     10.20199578    -13.99059213
  H     15.52794628      7.00414484     -9.22871532
  H     13.54698676      9.52722389    -18.58593892
  O     18.34017534      7.46553639    -11.96432612
  H     14.36760168      6.34519404     -8.44569526
  H     13.22044892     10.59642949    -12.37136108
  O     17.34631058     10.14667716     -8.91125426
  H     18.69011424      8.87048684    -16.63759261
  H     14.72619232     10.44207395    -12.13883379
  O     14.20099515      9.41127861    -17.90131555
  H     17.87366850      7.59139907    -16.90267029
  H     14.88528739     13.82977353    -14.90615478
  O     13.86600274     10.17638695    -11.78662207
  H     13.84360552      5.89011958    -15.13366025
  H     15.15586330     12.44589111    -15.54397258
  O     14.80790567     12.89245197    -14.75066664
  H     15.28514262      5.77461355    -14.65131015
  H     12.78621741      8.23905361    -15.00835342
  O     13.21663574      9.02368406    -15.36911048
  H     19.50373099      7.45887252    -15.09190502
  H     14.13425662      8.99323151    -15.05863758
          69
 Energy    -249.59180311366924     
  O     13.73792952     11.89936583    -14.28090738
  H     13.80305373     12.19693781    -13.36547837
  H     16.38379345      5.80251333    -15.20137588
  O     15.43715806      6.10646123    -13.65592208
  H     14.62652813     11.99392828    -14.64322624
  H     16.88481910     12.06708543    -13.18704654
  O     15.55687036      8.20754606     -9.86223012
  H     14.47563110      6.02271418    -13.60834736
  H     17.25445071     11.20816260    -11.94249662
  O     17.58530336      9.41707632    -11.42375783
  H     15.80781590      5.92819382    -12.78204663
  H     16.41964372      9.01514299    -12.81369541
  O     15.34354333      7.76195465    -17.48831730
  H     14.99226546      7.73296021     -9.23970574
  H     15.62318652      7.89621752    -13.56545658
  O     11.57959580      6.69323627    -10.21836941
  H     14.95603853      8.75103474    -10.39416356
  H     11.18089222     10.42753010    -15.31657810
  O     12.67350658      6.08606290    -13.61472289
  H     17.01875477      9.08522978    -10.71387771
  H     12.55420114     10.65794259    -14.65147696
  O     13.96852651      9.73991010    -11.52055635
  H     18.22238433      8.71929051    -11.62685009
  H     15.36686696      4.83221760    -10.45524602
  O     18.66558265      7.64921751    -14.85398354
  H     14.52629757      7.70764498    -16.96066235
  H     14.28890180      5.16210995     -9.40874956
  O     12.26234829      4.24020031    -11.54569960
  H     15.08728381      7.65018602    -18.39972389
  H     12.70799501      8.47718310    -15.63190550
  O     19.05187967      7.16922572    -12.23110077
  H     11.65212036      5.83423449    -10.65340424
  H     12.92627426      6.99103591    -15.29049612
  O     16.92401335      5.84414038    -16.00418543
  H     11.46477370      7.34040387    -10.92524045
  H     17.54858353      6.25932297    -11.49600144
  O     16.88630887     12.05634501    -12.22140818
  H     12.46662059      5.35839019    -13.01523515
  H     16.30297920      6.75766546    -10.71830207
  O     15.70719817      8.85342060    -13.44720991
  H     12.34256677      6.89182615    -13.19259377
  H     13.31268740      6.69583215     -7.55856758
  O     11.87669587      9.98454614    -14.83695413
  H     14.00566231     10.69895969    -11.42240445
  H     12.87635191      6.76794835     -9.04113560
  O     14.53542003      4.51439775    -10.08111318
  H     14.48597648      9.51105832    -12.30934984
  H     16.89660271     12.78767847    -15.65762877
  O     13.10622833      7.66169263    -15.95997971
  H     18.24812416      8.43912852    -15.21122146
  H     16.65100761     11.27510674    -15.45062776
  O     16.67910541      5.99071010    -11.17506496
  H     18.19564420      6.91537152    -15.27920267
  H     12.48377299      8.90180133    -12.00901709
  O     13.64876597      6.70343127     -8.45077316
  H     11.92869060      3.34915412    -11.48739276
  H     11.58998861      8.96233757    -13.25236609
  O     16.50183687     12.15487796    -15.06320371
  H     13.10540880      4.25767460    -11.05810035
  H     15.27059180     12.41010970    -11.71947170
  O     11.74155622      8.45574713    -12.44546619
  H     19.95630755      6.89681425    -12.10193296
  H     14.20998129     13.25587170    -10.96924504
  O     14.31584622     12.50222787    -11.54219968
  H     18.94094507      7.32372808    -13.18748082
  H     16.32733968      9.03568371    -16.54646159
  O     16.73890809      9.58636321    -15.86920954
  H     16.42152127      6.39252235    -16.61797151
  H     16.31694908      9.33575117    -15.03077223
          69
 Energy    -249.59172308116294     
  O     10.47186101      5.98835514    -12.95387129
  H     10.70596614      6.88931113    -13.20545914
  H     16.49930181      5.59414141    -13.57488786
  O     16.90910048      8.68034574    -13.07093384
  H     10.86753783      5.42530992    -13.62936557
  H     13.63314041      4.97375695    -12.13125831
  O     17.65107087      4.61157580    -12.43537651
  H     16.26885783      9.01960296    -12.42903631
  H     14.69967130      6.01288192    -12.54091977
  O     16.30569018      8.23671124     -9.18400992
  H     16.92299142      9.30424116    -13.80730465
  H     10.39000120      5.53230407    -11.25159903
  O     12.35471352     10.91871369    -14.70890360
  H     17.80881670      5.39981772    -11.88631842
  H      9.42643050      5.17582637    -10.10092234
  O     12.02356444      7.03135428     -8.84147375
  H     18.50922496      4.26925819    -12.67388495
  H     17.05663265     10.91032611    -15.84194283
  O     13.50716293      6.85804568    -15.23095489
  H     15.89163068      8.82207453     -9.84057030
  H     15.77507850     10.07447762    -15.60571472
  O     15.62291851      2.71651062    -11.75098022
  H     16.56597935      8.79165992     -8.45267034
  H     12.41296523      7.98112335    -10.33959925
  O     14.71436510     11.52577629    -13.17772451
  H     12.02820757     10.08234595    -14.33484008
  H     13.15758620      7.33209681    -11.52365151
  O     14.52758392      3.19371946     -9.09948428
  H     11.58676222     11.43296947    -14.94388265
  H     17.82491262      7.60869595    -11.83435932
  O     14.67434074      5.91945123     -9.19720392
  H     11.42654041      6.39523535     -9.25895451
  H     17.53526978      7.30805517    -10.35896953
  O     15.88035958      6.26170998    -13.89504938
  H     12.88297485      6.59570278     -8.78115402
  H     14.95522185     10.43925562    -11.76988472
  O     14.02227889      5.81975428    -11.88052160
  H     12.97862443      6.05032891    -15.25331279
  H     14.23933570      9.19518129    -11.17406989
  O     10.35194972      5.26634326    -10.31647542
  H     14.36236491      6.61296915    -14.85015933
  H     13.58491643      9.97769473    -15.83259400
  O     16.54078794     10.48394555    -15.16342625
  H     16.33577588      3.34683939    -11.91066826
  H     14.01308178      8.50690011    -16.02548136
  O     12.78338453      8.17111525    -11.21187428
  H     15.36317560      2.81657882    -10.82685318
  H     12.74578345      3.00064483     -9.86383341
  O     18.00108973      6.96824119    -11.13093122
  H     13.87320498     11.41878586    -13.63914275
  H     11.42018381      3.71160205    -10.26496096
  O     15.08187147      9.67224399    -11.19215089
  H     15.39364685     11.33967700    -13.83712987
  H     12.36612310      7.90983677    -14.22337039
  O     14.27856576      9.41788146    -16.20426602
  H     14.63167223      4.15575314     -9.01058335
  H     12.06023462      8.46095829    -12.79541250
  O     11.96331715      2.92904329    -10.42394111
  H     14.78560465      2.81104960     -8.26442798
  H     12.43289311      4.00133718    -14.21670977
  O     11.74678638      8.45260424    -13.71341855
  H     15.25439142      6.67918503     -9.07232694
  H     11.63131163      3.86851125    -15.53358734
  O     11.97195799      4.50569280    -14.91115212
  H     14.48975289      5.87078741    -10.14864086
  H     12.62959455      3.06032007    -12.06073996
  O     13.17910668      3.29146912    -12.82524543
  H     16.26400891      7.12515159    -13.67986572
  H     14.07691920      2.99518365    -12.61518124
          69
 Ord_Energy   -249.591278    
 O   -4.02057362      -3.81432056     -0.672588646    
 H   -3.25073099      -3.39690709     -0.269744426    
 H   -4.63315439      -4.08468819       2.53018495E-02
 O   -1.75090098      -2.62361860      0.473005295    
 H  -0.991321504      -2.17403102      0.114082240    
 H   -1.41531193      -3.36768198       1.00491476    
 O   -1.28049159      -7.41127491       1.04173112    
 H   -1.63297796      -7.59263039      0.153579891    
 H  -0.623988211      -8.08130550       1.21589494    
 O   -5.26160860      -7.85224581     -0.393832982    
 H   -5.04683495      -7.18772745      -1.06489456    
 H   -6.21274424      -7.99954605     -0.430870473    
 O   -8.85765076      -6.95921803       1.86149657    
 H   -8.03831863      -6.93565750       2.37776208    
 H   -9.28207016      -6.10580778       2.00679970    
 O   -5.85887575      -4.71099854       5.06332302    
 H   -6.54160166      -4.12786627       4.68332815    
 H   -5.95271254      -4.66581011       6.01062965    
 O   -6.18199873      -4.65428829      0.905814588    
 H   -6.76381874      -4.90887690      0.177024111    
 H   -6.30474663      -5.29163122       1.61709416    
 O   -7.83888912      -5.35205078      -1.26320362    
 H   -7.99605083      -6.29579401      -1.13442123    
 H   -7.42629290      -5.22799397      -2.12674999    
 O   -5.86341429      -2.49753714      -2.33822536    
 H   -5.15835238      -2.81972694      -1.75934732    
 H   -6.45761490      -1.97870493      -1.78394330    
 O   -7.73940945      -3.21553302       3.84420466    
 H   -7.31246138      -2.63774300       3.19763756    
 H   -8.49255276      -3.61276722       3.39019251    
 O   -3.71861386      -2.03132033       2.45467448    
 H   -3.01950097      -2.00785089       1.79160321    
 H   -3.67131400      -2.91892862       2.83579636    
 O   -6.41269684      -6.59296179       3.05980873    
 H   -5.55488873      -6.95785189       2.80318403    
 H   -6.26814795      -6.04112053       3.83871102    
 O   -6.47058916      -4.76793814      -3.64715958    
 H   -6.73029566      -4.62046528      -4.55193901    
 H   -6.26938295      -3.89337015      -3.26319480    
 O   -3.56612539      -4.70612860       3.39244604    
 H   -3.75680614      -5.47507954       2.83791900    
 H   -4.25749731      -4.67985868       4.06534386    
 O   -9.37234497      -3.30647588     -0.146175832    
 H   -8.92838669      -4.01945353     -0.626313865    
 H   -8.86091995      -2.50817823     -0.320483863    
 O   -9.87923336      -4.32569408       2.31008244    
 H   -9.72724438      -3.92269993       1.43653429    
 H   -10.7921677      -4.15834093       2.53092480    
 O   -3.95837212      -7.12318850       1.93619323    
 H   -3.02692461      -7.30138254       1.76617730    
 H   -4.43128490      -7.35189009       1.12116075    
 O   -7.57334232      -1.11040878     -0.511238635    
 H   -7.75389051     -0.174434692     -0.481867105    
 H   -7.12271738      -1.33547854      0.322128177    
 O   -4.28830481      -6.00194836      -2.30373168    
 H   -4.96505165      -5.70335197      -2.92079854    
 H   -4.08242416      -5.23517323      -1.74701428    
 O   -2.55279183      -8.00003624      -1.30691695    
 H   -2.87881351      -7.27104139      -1.85155427    
 H   -3.36500978      -8.39725971     -0.969864905    
 O   -6.34166241      -2.03239298       1.72079635    
 H   -5.42785454      -1.86550081       1.99489176    
 H   -6.36984015      -2.96167684       1.44309330    
 O   -8.10449600      -8.02049351     -0.486066312    
 H   -8.43020821      -7.69164753      0.372933477    
 H   -8.65354538      -8.76184177     -0.724878311    
 O   -1.08625364      -4.73456478       2.02720356    
 H   -1.81275189      -4.71289825       2.66479111    
 H   -1.07032728      -5.62817097       1.66340995    
          69
 Energy    -249.59094477926561     
  O     14.88306723     10.33780332    -15.53512693
  H     14.25555410      9.76648654    -15.96972435
  H     14.40894205     11.93058445    -14.55589523
  O     18.01961214     16.33294013    -15.85942082
  H     15.38105709     10.79379798    -16.23717194
  H     16.18999658     12.68727950    -16.94389464
  O     20.60095147     10.00983558    -16.43252365
  H     18.63276684     15.73550351    -16.32626315
  H     17.23506661     11.74118525    -17.54317550
  O     18.97510098     12.17023807    -10.57478703
  H     17.94579180     17.12162973    -16.39019303
  H     21.92190937     15.60639211    -11.65680808
  O     15.00175599     13.22500715    -11.56108231
  H     21.42861938      9.57373019    -16.62145321
  H     20.44718841     16.01156948    -11.85182811
  O     20.79109784     10.74867959    -12.16405975
  H     20.79653968     10.71184961    -15.78408271
  H     16.73982831     10.14586206    -12.80536826
  O     16.51770416     10.81985017    -11.17281137
  H     18.53017458     12.84374057    -11.10948551
  H     16.20262035      9.94149492    -14.27183713
  O     19.12447526     11.86834349    -17.89339685
  H     19.59197876     12.65410914    -10.01214285
  H     19.57394262     13.66051864    -17.20421595
  O     21.38787832     14.65695356    -14.60933308
  H     14.70476242     13.06721435    -12.47593333
  H     20.46877978     14.54012867    -16.28294034
  O     20.90319805     13.82082094     -9.34543972
  H     14.25559792     13.57836866    -11.08519062
  H     23.18422023     13.89702256    -12.13732413
  O     20.87504302     11.97234727    -14.61460133
  H     20.40011880      9.99409304    -12.62857529
  H     24.27779096     14.91048649    -12.55370364
  O     14.37343903     12.80237218    -14.14604137
  H     20.10506184     11.14812469    -11.61106440
  H     18.77917828     16.20004172    -14.11394650
  O     16.29536827     11.81094670    -17.34048150
  H     17.34978761     11.13951569    -10.80152975
  H     18.63436979     15.29717785    -12.86344415
  O     21.11376952     15.82845067    -11.17800115
  H     15.92885812     11.58430015    -11.19870604
  H     22.19245098     11.80006323    -11.50796604
  O     16.99069889      9.92647747    -13.71655478
  H     19.34437777     11.78324618    -18.81957555
  H     22.19155956     12.89778665    -10.43090120
  O     19.76655835     14.56845624    -16.94616966
  H     19.59912702     11.15931985    -17.43301525
  H     19.82689850      9.08508206    -14.76691943
  O     23.34609312     14.72374770    -12.62760187
  H     20.65424529     15.08760959    -14.14647132
  H     18.63409963      9.14089768    -13.79878640
  O     19.23764478     15.90442506    -13.31839098
  H     22.16109347     14.73692781    -14.03624444
  H     17.72377628     11.50810991    -14.17357521
  O     22.71100832     12.53784738    -11.16089783
  H     20.91482466     14.58400788     -9.95052129
  H     19.04643833     12.25555942    -14.51859534
  O     19.57680775      8.92390750    -13.85243238
  H     21.02676835     14.16586286     -8.46530595
  H     16.75959535     14.91944067    -15.75195839
  O     18.10196305     12.37634817    -14.37153546
  H     20.91805981     11.60435248    -13.71966041
  H     16.99508830     13.46586725    -15.27903176
  O     16.33924637     14.05618404    -15.68505309
  H     21.13945264     12.90007661    -14.58512372
  H     16.70346888     13.86445648    -11.93166067
  O     17.62233571     13.98223780    -12.20249589
  H     14.93869929     13.36936995    -14.68938823
  H     17.76703696     13.40145727    -12.96654975
          69
 Energy    -249.59068414664353     
  O     15.81663502     10.47322214    -15.29830196
  H     16.30396974     11.05563227    -15.90790019
  H     18.15039956     11.68322580    -17.04806516
  O     18.01336543     14.66767345    -16.53336501
  H     15.09619519     10.10039040    -15.79946306
  H     18.97144274     10.39477820     -9.92801789
  O     21.93836429      9.84958248    -15.13675034
  H     18.90061024     14.59442495    -16.90430722
  H     17.43818091     10.45189224    -10.13058112
  O     18.91617271     13.35885313    -10.36719799
  H     18.12550547     15.13380601    -15.69611391
  H     19.59989237     17.03463733    -11.23508961
  O     15.36011299     11.88586367    -12.83524808
  H     21.39895447      9.42223400    -14.44560853
  H     19.27622826     18.44752227    -11.77772367
  O     20.77141939      9.93888556    -10.53097245
  H     22.60295110      9.21719568    -15.39455319
  H     21.72166258     12.47267640    -11.83820419
  O     16.06397099      9.83297538    -11.23485491
  H     19.82859866     13.13426983    -10.59113422
  H     22.01902397     13.38572608    -10.61230078
  O     19.99535848     11.47650102    -16.44228556
  H     18.53498269     12.55229603     -9.99063013
  H     17.16867485      9.39278450    -12.66712245
  O     21.40094765     14.75404134    -14.68475749
  H     15.43871486     11.52208486    -13.72563928
  H     17.05277462      9.60865214    -14.19208142
  O     19.84626498     15.94848923     -9.89044066
  H     15.96732895     12.63744650    -12.78698104
  H     21.05955774     13.98032215    -18.19637240
  O     21.64207928     12.20680295    -13.58992634
  H     21.29339763      9.49833224     -9.86330793
  H     20.51254576     13.07119579    -17.06975248
  O     17.25463065     12.02843614    -16.96313862
  H     21.10750557     10.84851903    -10.58462632
  H     22.02278626     15.94229522    -13.39812321
  O     18.16782617     10.83613961     -9.62868526
  H     15.74626969     10.60574605    -11.73774978
  H     21.36172393     16.98925301    -12.47888005
  O     19.57996437     17.58301870    -12.04021032
  H     15.29399611      9.40436231    -10.87122669
  H     19.70882886     15.36996549    -14.22280418
  O     21.59089808     12.56362516    -10.88216195
  H     20.67717203     10.84408448    -16.18845933
  H     18.98360553     16.45233723    -13.39299893
  O     17.67098463      9.35761522    -13.49213765
  H     19.52476546     11.68697775    -15.61964168
  H     22.51195842     15.59860237    -11.14114203
  O     20.72846550     13.99050599    -17.30206973
  H     21.28387690     14.61525103    -15.63262820
  H     23.36122154     15.45145455     -9.85616067
  O     22.16863514     16.47467763    -12.60463345
  H     21.57390527     13.88312370    -14.30097205
  H     20.54225000      9.16465902    -12.26051783
  O     18.83460655     15.72591069    -14.01090321
  H     20.78141711     15.71549027     -9.85223937
  H     19.45069647      8.83974144    -13.30413360
  O     22.58752984     15.11364398    -10.29918437
  H     19.37288986     15.10641636     -9.93750548
  H     18.56622197     10.97585180    -13.66888334
  O     20.40545063      8.82596420    -13.15380153
  H     21.99496197     11.47133146    -14.10222762
  H     18.38764661     12.51364738    -13.51812315
  O     18.96267623     11.82918329    -13.88200337
  H     20.67695347     12.08875204    -13.60597879
  H     17.80817509     14.51794686    -13.12727266
  O     17.42036851     13.76531400    -12.66142064
  H     17.36015160     12.97963857    -16.81215122
  H     17.88569686     13.67840180    -11.81639852
          69
 Energy    -249.59064981559408     
  O     11.94457187     10.28118543    -14.91148158
  H     12.44022156      9.74317682    -15.54731348
  H     19.93880263      8.95684523    -14.38704583
  O     16.39035019      6.76265430    -13.47208903
  H     12.38960605     11.13448307    -14.89532741
  H     15.40566743     11.25159795    -17.45184322
  O     16.86770689     10.64506428    -11.19357522
  H     15.63953169      6.61600409    -12.88022165
  H     16.30877544     11.76655701    -16.32392010
  O     17.62318920     10.93366442    -15.28249875
  H     17.08859947      7.15452513    -12.92961479
  H     14.91825585      9.02890206    -15.27849954
  O     13.60467932      6.13666430    -16.19847710
  H     16.44482571     10.37029540    -10.37160242
  H     15.85921251      8.31251967    -14.25297795
  O     15.19462944      9.56594377     -9.18358008
  H     16.14394559     10.88673627    -11.79267245
  H     10.22773342      8.68198103    -12.82197593
  O     14.41458920      6.64276742    -11.54297367
  H     16.93733884     10.28606654    -15.05127173
  H     11.41528521      9.28440220    -13.61050195
  O     14.74481044     11.05318702    -12.87375248
  H     17.99453159     11.27490390    -14.46024523
  H     17.17116295      7.24995466    -10.31361382
  O     17.20464310      7.84732372    -17.53262318
  H     14.51467872      5.82653603    -16.14321261
  H     16.10776009      7.83424460     -9.36741100
  O     19.43659830      9.13050752    -16.27036200
  H     13.22459601      6.07041364    -15.30848275
  H     13.15228267      6.16592939    -12.87229213
  O     16.43880598      5.60795952    -15.94497310
  H     14.46224939      9.45054092     -9.81219457
  H     12.01368107      7.01859741    -13.44132949
  O     20.06210300      9.07778932    -13.43817259
  H     14.80415931      9.83784503     -8.35655329
  H     19.24767559     12.43797641    -12.48964653
  O     15.48257096     11.94992241    -16.79064948
  H     14.04009468      7.53029291    -11.46781537
  H     18.20381827     11.35045557    -12.15410926
  O     15.60524407      9.17027581    -14.61311190
  H     15.07984747      6.57597714    -10.84303589
  H     17.65908332      8.95599925    -11.59321761
  O     11.17974184      8.69309270    -12.87205941
  H     14.34204784     11.72996276    -13.42884579
  H     18.88095209      8.32177489    -12.30089734
  O     16.45721342      7.00311252     -9.71083474
  H     15.01228206     10.34170483    -13.47887961
  H     15.37669092      9.54773397    -19.45258271
  O     12.55812054      6.24549260    -13.62885915
  H     18.01764053      8.15834109    -17.11828147
  H     16.07824860      9.00128222    -18.18750110
  O     18.84328915     11.64156145    -12.82503300
  H     16.93795358      7.05513658    -17.04999715
  H     12.51789264      9.06563952    -11.66773842
  O     18.09367019      8.11380691    -11.77737878
  H     20.07873070      9.52795045    -16.85490775
  H     13.77964678      9.94293724    -11.80391167
  O     15.42032396      9.64604526    -18.50519346
  H     18.82252007      9.83778508    -16.00718005
  H     13.33934173     13.52027369    -15.07208482
  O     13.35977997      9.27564613    -11.24218726
  H     16.82374754      4.73517607    -15.92202217
  H     14.25560321     12.40309859    -15.61811863
  O     13.62735940     12.62635791    -14.90824987
  H     16.47370989      5.95196852    -15.03625473
  H     13.55212660      7.84425271    -16.50394000
  O     13.61726138      8.81261897    -16.52658688
  H     19.81892329      9.99389177    -13.25553379
  H     14.10884329      9.06862792    -17.31462413
          69
 Ord_Energy   -249.590179    
 O   -3.34920669       4.92478180     -0.407240450    
 H   -2.75345755       4.91033554      -1.16483653    
 H   -2.79728651       4.73588896      0.363534927    
 O   -1.62448752       1.67417502     -0.121507429    
 H   -1.98783743       1.80043244      -1.00679338    
 H  -0.721202314       1.35869145     -0.247906804    
 O    1.09674037       1.38519526       2.58146191    
 H   0.285064101       1.65556419       3.02560401    
 H   0.976267040      0.463206321       2.31679988    
 O   -2.24837995       2.00533080      -2.83516073    
 H   -1.93818724       2.91946673      -2.83130765    
 H   -3.21798658       2.01061535      -2.84755921    
 O   -2.14041924      -1.76993477       1.25848663    
 H   -2.38953328      -1.67042530      0.327684373    
 H   -2.53289723      -1.01633525       1.71758938    
 O   -1.50708628       3.95514274       1.46177828    
 H   -1.46910322       3.57900000       2.34648991    
 H   -1.54611266       3.19217324      0.861797333    
 O   -5.52494383       1.12860751      0.992732584    
 H   -5.62594080       2.00162029      0.592432976    
 H   -5.57269573      0.499282628      0.261992663    
 O   -1.43006086       2.17692900       3.69877076    
 H   -1.72224462       2.20111942       4.60625410    
 H   -2.06828666       1.62629223       3.21318436    
 O   0.603727460      -1.12463558       1.36142814    
 H  -0.347261727      -1.28909421       1.40500450    
 H   0.980008662      -1.90149951      0.921222389    
 O   -3.04709554      0.718805075       2.03603292    
 H   -3.98100901      0.855955124       1.81913173    
 H   -2.55105114       1.00836694       1.25400770    
 O   0.293417156      -2.87089014      -2.85976720    
 H   0.807631910      -3.02525759      -3.64887452    
 H   -5.16441688E-02  -1.96587932      -2.92911482    
 O   -2.07158613      -4.13542652      -1.86507678    
 H   -1.24104118      -3.86655021      -2.28012586    
 H   -1.84650159      -4.40699100     -0.965959668    
 O   0.909849524      0.626233995     -0.751813948    
 H   0.880533695      -2.43596900E-02  -3.46574895E-02
 H    1.50939822       1.32786775     -0.471605688    
 O   -1.31929159       4.63585854      -2.44740915    
 H   -1.09163213       5.32998371      -3.06066418    
 H  -0.613128841       4.61417150      -1.77715540    
 O  -0.711287439     -0.288193017      -2.76576638    
 H   -5.10289818E-02   2.11433694E-02  -2.12632537    
 H   -1.23620260      0.490520924      -2.99925828    
 O   -4.95713091       1.91146457      -2.57396197    
 H   -5.27908516       2.53809476      -1.91362929    
 H   -5.19148207       1.03788614      -2.23694444    
 O   -2.85617900      -1.55736482      -1.42622483    
 H   -2.71210766      -2.49186444      -1.64073181    
 H   -2.16572142      -1.05397916      -1.87439513    
 O   0.477836728       4.57680416     -0.405302733    
 H  -0.128561422       4.54539776      0.347823232    
 H    1.20584190       3.99200273     -0.166014105    
 O    1.14632797      -3.35845685     -0.130390927    
 H   0.958087564      -3.20482326      -1.06409705    
 H   0.396234661      -3.86270332      0.210156262    
 O   -5.71015835       3.60571265     -0.420142204    
 H   -4.87723255       4.10917854     -0.396725565    
 H   -6.41604185       4.24538088     -0.377298713    
 O    2.35258341       2.65219760      0.538173199    
 H    1.93273604       2.26855135       1.33016253    
 H    3.27779436       2.75827169      0.742459834    
 O   -5.42082167     -0.593457878      -1.29675972    
 H   -4.51991034     -0.953235388      -1.34996092    
 H   -6.01074791      -1.29507494      -1.56149888    
 O   -1.33514357      -4.39606524      0.888766766    
 H   -1.66246653      -3.51739836       1.14353299    
 H   -1.53947318      -4.98459196       1.61113262    
          69
 Energy    -249.58972616038272     
  O     15.39811098      9.14613508    -10.06794129
  H     15.01838055      9.92006368    -10.50611002
  H     12.85593814      7.36270305     -8.44667492
  O     12.47980400     11.87993454    -14.74011661
  H     14.68187884      8.61517313     -9.69783705
  H     16.91707385      7.67072520    -15.79788298
  O     16.78135674     10.87848779    -13.38447686
  H     12.31105590     11.09825191    -14.19820860
  H     18.01585434      7.28349639    -14.81694316
  O     12.74307673      5.45133848    -13.43657607
  H     12.76720683     12.56375207    -14.12271223
  H     14.55587541     13.61051913    -13.50212139
  O     18.05901773      5.91190001     -9.52931830
  H     17.60093657     10.65310270    -12.93017396
  H     13.68397418     14.56910435    -12.65461073
  O     15.84994582     13.21622464    -14.62074701
  H     16.63953712     10.26196724    -14.11566929
  H     13.18761754     10.19130932    -12.47969369
  O     15.98858801      7.62164692    -12.35386369
  H     13.59352283      5.16551670    -13.06103745
  H     13.01535123      9.05664520    -13.51766484
  O     14.56103557     11.18338068    -11.74936445
  H     12.31718184      4.67305932    -13.78582848
  H     14.15073975     11.85696498    -17.44969257
  O     18.66492164      7.86648759    -13.25498196
  H     18.44193595      5.47507753     -8.77214399
  H     13.71471301     11.69026310    -15.97566514
  O     19.07642240     10.21350947    -11.82888114
  H     17.10937522      5.70147696     -9.51884629
  H     11.99192900      8.21480151    -11.92046693
  O     17.28492444      4.49791578    -14.23918491
  H     15.46842664     12.81008992    -15.40899899
  H     12.09343142      6.68436863    -12.10974056
  O     13.43038136      7.34218646     -9.20752434
  H     16.32906511     12.50143691    -14.17829485
  H     15.26251062      5.01085213    -10.53703057
  O     17.44465228      6.91847030    -15.51098462
  H     16.90286727      7.74183236    -12.63992951
  H     14.71688944      5.95850657     -9.44198098
  O     13.79690939     13.65306898    -12.89206257
  H     15.84613882      8.14010782    -11.55302453
  H     15.88474723      4.62848064    -13.05175152
  O     12.52328352      9.67998336    -12.96279810
  H     15.34005554     11.04443776    -12.31039022
  H     15.50077341      5.91270961    -12.30172145
  O     14.47604282     11.63656723    -16.58086398
  H     14.24443290     12.07246490    -11.94857572
  H     18.50042232      4.97832820    -12.70607706
  O     11.94253134      7.37141465    -11.45040520
  H     18.99589192      7.06961579    -12.81225925
  H     18.72279663      5.49248637    -11.25179700
  O     15.40956757      5.31439966     -9.63165864
  H     19.00903640      8.64169801    -12.79972335
  H     14.75329782      7.76174336    -13.62954455
  O     15.24419502      4.98357408    -12.42218691
  H     19.80390136     10.76892597    -11.56378560
  H     13.55210741      6.98983643    -14.22927835
  O     19.12263512      5.43662521    -12.12974327
  H     18.77763645      9.73562063    -11.03309508
  H     17.17589938      8.97707531     -9.71704011
  O     14.05686963      7.80685151    -14.30546543
  H     17.28925721      5.32701175    -14.75033107
  H     18.18933543      7.81671558     -9.66990912
  O     18.12149206      8.77425878     -9.76099835
  H     17.63114155      3.82391006    -14.81834128
  H     15.17622818      8.82401319    -15.27796328
  O     15.89683327      9.37071830    -15.62558800
  H     12.85514071      7.33226098     -9.99369554
  H     15.47515768     10.11921963    -16.06567291
          69
 Ord_Energy   -249.589676    
 O   -3.73755956      -3.14409876       4.76516199    
 H   -3.92730260      -3.83900118       4.12271070    
 H   -3.07105541      -2.56649184       4.37554932    
 O   -7.84795189       2.66182518      -1.66646266    
 H   -8.69302654       2.19981766      -1.60366428    
 H   -7.73552704       3.12443757     -0.827012300    
 O   -5.20438910      -1.69584477       1.43795979    
 H   -5.73710585      -2.26853633      0.870765686    
 H   -5.68150663      -1.64210916       2.27460694    
 O   -10.1959639       1.05354190      -1.13598967    
 H   -11.0889378       1.09930897      -1.46624207    
 H   -10.2017374       1.46086931     -0.251215070    
 O   -7.09141016      -4.35372353       2.58464170    
 H   -7.15282869      -4.12652779       1.64628029    
 H   -6.20547438      -4.71417618       2.71400428    
 O   -8.16969585     -0.878747761     -0.703042924    
 H   -7.42608738     -0.428460866      -1.13033867    
 H   -8.95705128     -0.365361899     -0.922207713    
 O   -4.37743521      -5.21518564       2.91017008    
 H   -4.17922974      -6.12307358       3.12762165    
 H   -4.03268051      -5.06463957       2.01326227    
 O   -7.55882120       3.82494020      0.972869277    
 H   -7.34029484       4.71810579       1.22750223    
 H   -6.96748257       3.24194837       1.47543192    
 O   -4.94958830      -3.99148083      -1.87135363    
 H   -4.68831301      -3.08899045      -2.12934661    
 H   -4.97826910      -4.50850677      -2.67207479    
 O   -4.27995968      0.493649691       4.14503288    
 H   -4.80851412      -8.14883970E-03   4.77817678    
 H   -4.88674307       1.04034531       3.63430142    
 O   -6.01650286       1.90198457       2.27377796    
 H   -6.75395012       1.27465475       2.21481323    
 H   -5.37481070       1.63923097       1.59666479    
 O   -9.87977695       2.15822005       1.32720983    
 H   -9.38716602       1.41817975       1.71302581    
 H   -9.23660564       2.87364984       1.25624740    
 O   -4.26088905      -1.45492172      -2.46551657    
 H   -3.47413063      -1.09118187      -2.04346085    
 H   -4.93455505     -0.762909353      -2.41709924    
 O   -8.11915302      0.108311519       1.96172154    
 H   -7.88115025     -0.586810648       2.59190059    
 H   -8.10091591     -0.283114731       1.07903123    
 O   -6.07950544      0.574326396      -1.82068145    
 H   -6.63619709       1.36199343      -1.90720725    
 H   -5.49712753      0.729499936      -1.06398010    
 O   -2.06530118      -1.02914619       3.72866583    
 H   -2.82510924     -0.427146673       3.82889318    
 H   -1.36115801     -0.670600176       4.26218605    
 O   -2.50116897      -2.11681962       1.22282147    
 H   -2.16633606      -1.76974225       2.05939412    
 H   -3.46824646      -2.05765057       1.29350638    
 O   -2.12018991     -0.395155102     -0.865616500    
 H   -1.20393133     -0.218485713      -1.06110072    
 H   -2.13735843      -1.05367136     -0.149790764    
 O   -4.39646149      0.733423769      0.388269693    
 H   -4.70409870     -0.105241150      0.769355476    
 H   -3.54158616      0.551898777      -1.77027900E-02
 O   -5.53121853      -1.44628215       5.85255671    
 H   -4.89297295      -2.11570764       5.54320621    
 H   -5.64135408      -1.57745838       6.78982639    
 O   -3.37898636      -4.66242170      0.439065844    
 H   -2.88500857      -3.85263515      0.624696553    
 H   -3.88498068      -4.49596500     -0.365028322    
 O   -7.07350159      -1.81025624       3.56342459    
 H   -6.66598177      -1.73459375       4.43287611    
 H   -7.16541147      -2.74946952       3.33998513    
 O   -6.95441818      -3.29281855      -3.54461186E-02
 H   -6.38254595      -3.59292650     -0.753177643    
 H   -7.48728228      -2.55127859     -0.355854332    
          69
 Energy    -249.58962397807096     
  O     11.35148180      9.10337818    -12.91591752
  H     11.53263794      9.77569620    -12.25048909
  H     19.02464319     11.93353518    -12.62651486
  O     16.80052377      8.62142194    -15.18800719
  H     11.63896321      9.48676760    -13.75700641
  H     14.21822461     13.04541770    -12.75715814
  O     17.18801587      9.37124953    -10.75307066
  H     16.45306486      7.76442445    -14.90282569
  H     13.04906241     13.08877268    -13.75255476
  O     16.03281369     12.70016410    -12.91330555
  H     17.54906655      8.81502440    -14.60699464
  H     15.39568878     11.09826648    -13.62199920
  O     13.21306620      8.51032685    -17.14400363
  H     16.23574802      9.52129542    -10.85703213
  H     15.64997000      9.71048309    -14.30993122
  O     16.97220126      6.58080430    -10.32500646
  H     17.27694493      8.45516948    -10.46484422
  H     11.78190907      7.42346776    -12.89070053
  O     15.99311869      6.25439297    -14.01538450
  H     16.63919156     12.52330865    -12.18408707
  H     11.29988357      5.95569021    -12.81547481
  O     14.49059416      9.56892765    -11.24653456
  H     16.56598465     13.03402480    -13.64711140
  H     18.75127754      7.14631411    -12.98391487
  O     17.62155007     13.31789883    -15.12391580
  H     13.33824118      7.69785240    -16.62897326
  H     18.11626479      6.26676855    -11.89243958
  O     15.57277523     12.33868766    -16.56107986
  H     14.08977644      8.82872683    -17.38602405
  H     12.97473566      6.37855714    -14.64092761
  O     15.84477934      9.66473284    -17.52583437
  H     16.09088846      6.54887650    -10.73368862
  H     14.42943567      6.16899181    -15.07775683
  O     19.36478714     11.70156232    -13.49938460
  H     16.95457187      5.97188823     -9.59062633
  H     18.26227507     12.38109044    -10.14783905
  O     13.25282290     13.03958601    -12.81131357
  H     16.89383161      6.08409391    -13.70434070
  H     17.76413479     11.06969784    -10.79495704
  O     15.00891900     10.23384156    -13.81340345
  H     15.47449461      6.45799099    -13.22607206
  H     18.13603207      9.16119791    -12.40158777
  O     12.08051913      6.49610910    -12.90398097
  H     13.71466805     10.08542716    -11.00277446
  H     19.04825810      9.93207422    -13.38596121
  O     18.47295401      6.24162005    -12.78852057
  H     14.64239042      9.75047260    -12.18892735
  H     12.19578766     13.22347062    -16.20843708
  O     13.54633949      6.36137763    -15.41685737
  H     16.92461235     12.96061972    -15.70415623
  H     12.65582611     11.91020452    -15.53265676
  O     17.96943738     12.00236508    -10.97304152
  H     17.91906159     14.13043201    -15.52465414
  H     14.46666343      7.77333169    -11.44515998
  O     18.66053091      9.06332218    -13.20617134
  H     14.66332883     12.53211874    -16.30597860
  H     13.68108993      6.56458846    -11.99316498
  O     12.87912997     12.85018891    -15.65746027
  H     15.58321952     11.45130098    -16.94016464
  H     11.66744928     11.63290847    -10.46841776
  O     14.53870212      6.82602785    -11.63299067
  H     16.39403153      9.42989591    -18.27032560
  H     12.53913531     11.87252235    -11.72167519
  O     12.20905652     11.18667721    -11.11362170
  H     16.25342645      9.26096969    -16.74135485
  H     12.68289958      9.61794860    -15.89938197
  O     12.57763114     10.21776927    -15.14520932
  H     18.85394800     12.22422529    -14.12978964
  H     13.41432413     10.20491280    -14.65642071
          69
 Energy    -249.58902429284998     
  O     14.75670229      9.71187953    -10.33744600
  H     14.49110053     10.23581790    -11.10543195
  H     13.32834013      7.22561863     -9.23328876
  O     13.16500663     10.62778447    -16.14463373
  H     13.99251519      9.19478694    -10.04503028
  H     18.55161945      7.83406920    -15.30852631
  O     16.97795001     10.90519723    -13.49029208
  H     13.13333875     11.44382590    -15.62970265
  H     19.03455539      7.34599616    -13.93492936
  O     17.21283290      6.74770603     -8.35101747
  H     12.94837904      9.91673202    -15.52856050
  H     14.47843021     13.00699671    -14.82850536
  O     16.11250013     12.78487386    -15.41544462
  H     16.06562040     10.81618807    -13.18249848
  H     13.22510777     13.83276366    -14.44438249
  O     15.88460339      7.70378478    -11.96883827
  H     17.55910907     10.81814465    -12.72592146
  H     13.78600986      8.21641472    -14.42996019
  O     14.23181138     10.81068510    -12.79186838
  H     17.81382118      6.64882893     -7.61657483
  H     12.59887613      8.04526310    -13.46339991
  O     18.65654673      7.79911306    -12.14857969
  H     17.63155652      6.30993591     -9.11525581
  H     15.47521512     10.80333870    -18.33572043
  O     18.69988766     10.48835202    -11.26947855
  H     16.04484322     12.20960938    -16.18813729
  H     14.70829692     10.65857604    -17.00093497
  O     17.01978202      5.20547117    -14.53310453
  H     16.56700158     12.26216181    -14.74059591
  H     13.04266855      6.08925560    -12.00812709
  O     16.77707519      3.88250690    -12.22594405
  H     15.52210248      8.39601906    -11.40229114
  H     11.54503605      6.00976577    -12.37137685
  O     12.80142517      7.90772045     -9.66685277
  H     15.46566583      6.87287797    -11.71353887
  H     14.38201056      5.37673531     -7.84572736
  O     19.00730238      7.10400541    -14.87083228
  H     13.93588148     11.60956303    -13.24467529
  H     15.49942523      6.22898716     -8.48652925
  O     13.56758091     12.94466058    -14.48752095
  H     13.78574725     10.06525072    -13.21840123
  H     14.57166147      5.36022448    -10.40023088
  O     12.99086752      8.66036780    -14.09194285
  H     18.87667057      8.69733321    -11.87807998
  H     15.25903525      4.71099682    -11.64859082
  O     15.59346813     10.77186793    -17.39013061
  H     17.68794484      7.75118258    -12.12361313
  H     17.86953085      4.94626015    -11.06882239
  O     12.25356380      6.62470155    -12.19329693
  H     19.38105635     11.08175294    -10.96479841
  H     18.61195836      6.30274462    -11.08085963
  O     14.60265901      5.88281681     -8.62426360
  H     18.21109876     10.19048628    -10.48107205
  H     15.57758977      7.59804354    -13.73849561
  O     14.54704502      5.30043799    -11.36481952
  H     17.82224096      5.71874403    -14.70839458
  H     16.01580145      8.05227194    -15.15042135
  O     18.31891567      5.58372215    -10.50262133
  H     16.29940009      5.82192041    -14.70914708
  H     17.26336718      8.62714979     -8.89822561
  O     15.37262588      7.50305744    -14.68156480
  H     16.97990307      2.96175419    -12.36545270
  H     16.33308824      9.70540221     -9.48728145
  O     17.24320122      9.54248186     -9.19493987
  H     16.89431967      4.32821441    -13.08650186
  H     17.26507820      9.80540197    -14.93032103
  O     17.27453174      9.24062222    -15.71730944
  H     12.47960589      7.51861510    -10.48931687
  H     16.79517156      9.72198829    -16.40285525
          69
 Energy    -249.58895420286143     
  O     14.86309737     10.20893458     -9.36375166
  H     15.24418979     11.08978266     -9.26601574
  H     13.57242615      6.52608762    -11.59931266
  O     17.48315734     12.36229898    -13.31474738
  H     15.49908017      9.68108382     -9.86708407
  H     11.57378794      8.86052831     -9.98613126
  O     11.42891132     10.65073316    -15.02741298
  H     17.73438890     11.89664082    -12.49665236
  H     12.17795278      7.94337902     -8.91127393
  O     13.30161650     11.68496571    -13.18268480
  H     18.27062792     12.78547974    -13.64540790
  H     14.42883422     12.95656229    -12.32903998
  O     15.58651963     10.63284378    -14.41123219
  H     11.41204490      9.69188056    -14.86705516
  H     15.94574359     13.19063187    -12.48740312
  O     16.08555147     12.71442894     -9.46251933
  H     10.54395747     10.90132925    -15.28032256
  H     13.01891091     10.45988293    -16.15831110
  O     16.71703152      8.59971526    -10.73229391
  H     12.58050127     11.47507061    -13.78821905
  H     14.53528653     10.35968750    -15.89600999
  O     13.59786976      4.30112091    -13.56661082
  H     14.09691116     11.29037864    -13.57064416
  H     16.15337506      5.45847255     -9.14165372
  O     17.97211124     11.13536677    -10.94680704
  H     16.29729181     11.22697856    -14.14126626
  H     15.01739485      5.95612903    -10.06534187
  O     13.34034533      8.05779930    -12.45390821
  H     15.80081950      9.75148844    -14.07403733
  H     11.00810309      6.54080988    -10.22287339
  O     10.99637525      5.58159778    -13.48408819
  H     16.14814362     13.47550880     -8.89242064
  H     10.24160843      5.20739183    -10.06759969
  O     13.62574850      5.66247595    -11.15753973
  H     15.70953268     13.02262714    -10.30696880
  H     14.72598164      6.51493678    -15.72312595
  O     11.41784736      8.04015477     -9.50466030
  H     16.55473414      8.41554282    -11.66911563
  H     14.74297765      5.42882302    -14.63234044
  O     15.18683477     13.40078740    -11.92854477
  H     16.52157276      7.78390644    -10.25574922
  H     13.33729878      7.22832320    -17.70585487
  O     13.84357960     10.12798377    -16.53193107
  H     13.70718449      4.69502949    -12.68554492
  H     13.68693824      8.41632105    -16.77772081
  O     15.73037069      6.24696996     -9.47286913
  H     13.78888573      3.37008796    -13.47710605
  H     11.28423611      7.11550310    -14.32506725
  O     10.89213330      5.65042077    -10.60500663
  H     17.68530580     10.22022712    -10.83108809
  H     12.23467641      7.67568901    -15.43284317
  O     15.29721643      6.08157018    -15.07607344
  H     17.45846352     11.66207530    -10.32155252
  H     14.46254291      7.30335825     -8.39364603
  O     13.48487214      7.46323442    -16.79346003
  H     13.04650477      8.78433825    -11.88883604
  H     14.15569644      8.80107904     -8.33897208
  O     11.66266162      7.92733599    -14.69548822
  H     12.75863194      8.02221306    -13.22321728
  H     15.00507771      8.15508251    -12.99348253
  O     13.80827902      7.93634037     -8.07928665
  H     11.79393190      5.05532869    -13.61877689
  H     15.91025077      7.38331462    -13.96688776
  O     15.91364406      8.11315459    -13.33261941
  H     10.86033144      5.61902712    -12.52879986
  H     13.33620318     10.28028867    -10.32563434
  O     12.57653492     10.21946641    -10.92394747
  H     12.73474031      5.49587045    -10.82310149
  H     12.75161904     10.82583246    -11.65570078
          69
 Energy    -249.58816900564969     
  O     -0.93612182      2.89734811     -1.61369396
  H     -0.05517617      3.28131671     -1.54332353
  H     -0.89217357      3.74279207      5.60310789
  O      1.75994055      3.88467814     -1.20836011
  H     -0.80767838      1.93985120     -1.66353206
  H     -2.04593405      2.38926518      3.27585334
  O      3.66979732     -0.93332098      2.53569687
  H      2.27843679      3.09246116     -0.98286525
  H     -2.07270025      1.61720570      4.61727293
  O      0.73496679      1.15734751      1.04796470
  H      2.27949944      4.38273649     -1.83374894
  H      0.47467529      0.14188946      4.03718724
  O     -3.02114733      3.35325633      0.06325493
  H      3.22992413     -1.50501489      1.89582293
  H     -0.89586440      0.32165842      3.36215830
  O     -1.72162398      4.00226194      2.48606952
  H      4.19651954     -0.29665825      2.03787378
  H      2.51654025     -3.49802842      0.55571374
  O     -0.43891867      0.16156163     -1.25501081
  H      0.63246340      0.59775542      1.82689166
  H      1.38669569     -2.52564514      0.96669093
  O     -3.34257222      0.74646092      1.20395769
  H      1.64745447      1.13257241      0.73224949
  H      4.27022017     -0.69022666      5.61404674
  O      3.10161847      1.62110292     -0.42893523
  H     -3.69951348      3.80688969     -0.43024128
  H      3.66740904     -0.48069173      4.20281542
  O      5.13077227      1.26930807      1.43719112
  H     -2.27171660      3.22704337     -0.54580257
  H      1.11444132      4.05244429      4.51488541
  O     -2.41519594     -1.45546956     -0.05656350
  H     -0.81880235      4.06207826      2.14038503
  H      1.61520451      3.72726243      3.09817120
  O     -0.57419855      4.49293879      5.08706157
  H     -2.28324495      3.89910350      1.70757657
  H      2.11614385      0.71061615      5.39908390
  O     -2.23950265      1.52633274      3.67165917
  H     -0.09258378      0.51047745     -0.41769880
  H      1.48764248      2.02271895      4.85086638
  O     -0.08114661     -0.19982155      3.32703544
  H     -1.14231127     -0.45098583     -1.01077726
  H     -1.36481974      1.66597956      7.17957218
  O      2.31253088     -2.57289430      0.66618065
  H     -3.29385930      1.60145832      0.75929261
  H     -0.30759506      1.60999859      6.05272387
  O      3.71868246     -0.10589890      5.10164644
  H     -3.10004586      0.91516415      2.12325150
  H      2.29816349     -1.40868059     -0.82055328
  O      1.83177824      3.61463890      4.03395555
  H      2.93656545      0.78797119     -0.89877291
  H      1.30660632     -0.51274451     -1.59325325
  O      1.28836234      1.20214416      5.32656460
  H      3.87264608      1.51517034      0.14053143
  H      0.69615890      2.88528250      1.34390629
  O     -1.20056361      1.92320917      6.27604146
  H      6.07835068      1.33704600      1.35601278
  H      1.17104738      4.13978574      0.59936355
  O      2.24624212     -0.71891981     -1.49421921
  H      4.88257636      1.75031653      2.24737539
  H     -0.21021804     -1.69164123      2.26982965
  O      0.83776700      3.84056345      1.45140333
  H     -2.78799651     -0.68434603      0.40848596
  H     -0.98393959     -2.11426946      1.00038816
  O     -0.22051417     -2.33455462      1.54696433
  H     -3.15438061     -1.97251608     -0.36464506
  H      3.57629443      2.93437261      3.90100759
  O      4.36033082      2.38206532      3.78307517
  H     -1.09599635      4.49284073      4.27407802
  H      4.23784092      1.61675761      4.35767096
          69
 Energy    -249.58729611878991     
  O     10.22733244     10.06730926    -11.00568715
  H      9.44232339      9.90905752    -10.48797946
  H     12.23520907     12.34107799     -9.68039523
  O     14.52526395     10.95294526    -12.60946792
  H     10.84471903     10.55890979    -10.43454144
  H     11.88601860      9.96469358    -17.66834487
  O     16.68831291     13.73226045    -14.27061626
  H     15.37136208     11.37977619    -12.41903747
  H     10.61022932     10.32670395    -16.88889106
  O     16.46896436      8.25045383    -12.86562031
  H     14.63292037     10.38433230    -13.38353776
  H     13.57158553     13.38250131    -14.38538414
  O     10.69276207     11.28084395    -13.48435719
  H     17.15672230     13.11839631    -14.84757276
  H     13.35773721     13.52802977    -15.91493510
  O     12.08797338     13.21189012    -17.14744849
  H     15.79058553     13.79886547    -14.62378278
  H     18.71739070     11.48722939    -16.14356869
  O     15.22259142     11.28704664    -16.48766959
  H     15.88238574      8.39330968    -13.62354355
  H     18.08846026     10.96054715    -14.83632392
  O     14.47245451     10.24514699     -8.69643906
  H     15.88605078      8.23124216    -12.09735337
  H     13.01828319     14.83072475     -9.77312831
  O     12.74738157     12.97306612    -12.79681677
  H     11.35879460     11.94717293    -13.26001768
  H     13.95207094     13.61956950    -10.01064330
  O     14.67077550      9.17787186    -14.75791149
  H     10.41342705     10.87534472    -12.65380303
  H     15.22056702     11.90092055     -9.30209085
  O     18.39245152     10.09777090    -13.24144906
  H     12.43436227     12.52810182    -17.73349046
  H     16.04507634     12.61421619    -10.40609659
  O     11.97757999     11.43713057     -9.46392980
  H     11.27266924     12.84851072    -16.77962455
  H     11.56668447      9.76495480    -14.17750189
  O     11.16420436      9.58164679    -17.15503764
  H     14.81285658     12.02823360    -16.01467488
  H     11.65615842      9.00258310    -15.51449971
  O     14.03773665     13.46004308    -15.22819835
  H     16.16986091     11.32403439    -16.30973362
  H     14.05931595     11.02587829    -17.83046867
  O     17.90520489     11.46826880    -15.64219573
  H     14.69080754      9.75059818     -7.91089797
  H     13.70490510     10.85555632    -19.32457742
  O     13.06753111     13.98156408    -10.20302818
  H     14.47860394      9.61410578     -9.43681742
  H     11.92596842      8.08092578    -12.88527091
  O     15.42605910     12.76515633     -9.67978686
  H     12.78190238     13.46247475    -11.96708259
  H     11.30977374      8.57228956    -11.56703093
  O     11.93596255      8.97221237    -14.58803757
  H     13.34770575     12.21578823    -12.68949432
  H     16.86674392     12.87242705    -12.71882230
  O     13.32058925     10.96232565    -18.45799144
  H     14.83792106      9.82029642    -15.45845455
  H     17.53628691     11.53342347    -12.29660680
  O     11.94195599      7.93979340    -11.92984205
  H     13.71622173      9.01581790    -14.73170828
  H     10.05867431     11.67367381    -15.10292514
  O     16.92384310     12.21748132    -12.00445427
  H     19.22148190      9.75798761    -12.91460420
  H      8.90278067     12.10871311    -16.03066519
  O      9.82480852     11.86412590    -16.02675872
  H     17.72794443      9.40044294    -13.09173146
  H     13.55658131      8.31079713    -11.21852905
  O     14.38177647      8.74657949    -10.95945212
  H     12.77283007     11.01042437     -9.12343728
  H     14.41216679      9.56493339    -11.47914096
          69
 Energy    -249.58729586884937     
  O     -2.39845534     -2.74326153      0.64214148
  H     -2.63396119     -2.62548241     -0.28581209
  H     -3.91725621      3.46306734     -1.67572730
  O     -0.73506996      3.92110311     -2.49522611
  H     -1.44987993     -2.92029205      0.63983587
  H      0.30629919     -2.00240598     -1.14901915
  O     -2.76273756      0.50765833     -1.95630786
  H     -0.52126558      4.31364525     -3.33788137
  H      0.16070225     -0.73117274     -2.03092108
  O      0.24502608      0.45885292      4.79853492
  H     -1.69075841      3.72960254     -2.51127145
  H     -1.84030241      3.17012494      2.84646403
  O      1.10416750      5.68069516      1.90089736
  H     -2.85294674     -0.43936474     -2.11467651
  H     -2.52489739      2.72134868      4.14070243
  O     -1.27250543      2.54884990      1.29690658
  H     -1.81370813      0.69716616     -1.90624696
  H     -2.52549336      5.34317616      1.08694229
  O     -2.63061414      0.86645520      4.69379201
  H     -0.68478784      0.69367687      4.90060738
  H     -3.09043833      4.73765507      2.39476278
  O     -2.61759966     -2.27606053     -2.19555303
  H      0.75463984      1.27118780      4.91108693
  H     -3.38316015      0.93581161     -0.34491268
  O     -2.78215041     -0.61610710      2.34589732
  H      0.42468162      5.51384803      1.22714568
  H     -4.17658471      2.04714605      0.40446940
  O      0.03755768     -0.75417254      2.38961410
  H      1.50597119      6.51820899      1.68346483
  H      0.41233064      1.19399982     -0.96447080
  O      1.74713145      2.84494228      5.00005138
  H     -2.04465677      2.06510320      0.97675677
  H     -0.14120854      2.10420495     -2.09190440
  O     -3.34895382      3.21888250     -2.41565967
  H     -0.47847452      2.03142024      1.11896608
  H      0.35865108      5.25364391      3.61147982
  O      0.01816654     -1.68543321     -2.01490732
  H     -3.18991912      0.48931237      5.36921780
  H     -0.82203409      4.48314485      4.25144873
  O     -2.27841281      3.50916401      3.64405270
  H     -2.72792456      0.29845134      3.91156391
  H     -4.40000421      4.27716460      0.54551364
  O     -3.34148003      5.19552850      1.58167148
  H     -1.65257693     -2.13423385     -2.20804142
  H     -5.81370161      3.99376163     -0.01452951
  O     -3.61708194      1.27159692      0.53318042
  H     -2.81395036     -2.90572742     -2.88377848
  H      0.82217176      0.45745667      1.29060430
  O     -0.05368943      1.18521987     -1.81480791
  H     -2.76688353     -1.44445958      1.84371382
  H      1.60433740      1.81284201      1.17994001
  O      0.04395138      4.87044510      4.43949577
  H     -3.16991929      0.04758679      1.75734138
  H      1.13215213     -3.39668831      0.89377405
  O     -4.90967989      3.69208916     -0.04229008
  H      0.25888633     -0.40654144      3.26641413
  H      0.42905362     -2.08002705      1.29136197
  O      1.05573761      1.17936093      0.69172656
  H     -0.92373156     -0.68902228      2.31269427
  H      2.22036060      2.91905622      3.14852194
  O      0.49102033     -2.75634503      0.59566789
  H      2.32954071      3.07808688      5.71817579
  H      1.99362120      3.97273143      2.05207646
  O      2.30500398      3.07176578      2.19918872
  H      1.13238292      3.59117422      4.88246206
  H     -1.01932718      4.10779561      0.54941396
  O     -0.86734479      4.97231816      0.13248514
  H     -3.28932043      2.25352155     -2.40117671
  H     -0.76217652      4.78359020     -0.80671833
          69
 Energy    -249.58726381690417     
  O     16.72499905     10.33583654    -14.55132339
  H     17.52534892      9.79792995    -14.59030750
  H     12.57120704     11.77055719     -9.23937090
  O     14.33422819      7.03824473     -9.07174713
  H     16.02686844      9.85481090    -15.01955373
  H     17.00048708      4.97931134    -15.11902712
  O     12.30473629      8.48449053    -10.47859181
  H     14.68206915      7.89767512     -8.77112046
  H     18.29572761      5.69614683    -15.53339312
  O     14.70465652      8.80586948    -15.61726985
  H     14.29241591      6.47422155     -8.30460037
  H     15.49683596      7.87949275    -11.78923721
  O     18.96190417      8.69347644    -14.31195014
  H     12.48730416      9.37976806    -10.16923753
  H     15.13051191      6.80058343    -10.74021638
  O     20.33726325     10.42829101    -12.57631131
  H     12.90645256      7.90727734     -9.99362876
  H     18.94702002      7.79159489    -15.86532171
  O     18.08336448      6.69662113    -12.59854672
  H     15.12469343      8.35572749    -16.36447103
  H     19.61686944      7.28766005    -17.16295471
  O     11.63159791      7.95509157    -13.03903696
  H     14.46716277      8.10850825    -14.99238283
  H     18.79981634     12.92224119    -10.65893985
  O     16.34186001     12.68924982    -13.07381786
  H     19.51207052      9.29862374    -13.80031875
  H     18.16671240     11.51392025    -10.73569626
  O     12.77938718     10.33221229    -14.18016196
  H     18.63333193      8.01784692    -13.69849806
  H     17.00875716      7.22305540    -17.22174284
  O     13.90522172     11.75624652    -12.13469599
  H     21.20892378     10.81397316    -12.62838433
  H     15.76367262      6.36072254    -16.95020115
  O     13.11606820     11.09619389     -9.63683660
  H     19.76062146     11.10022352    -12.18053161
  H     14.95695925     10.23008361    -12.01936682
  O     17.91440696      5.13303516    -14.84879364
  H     17.19683269      6.69614962    -12.21434923
  H     16.10940595      9.78650163    -12.93443422
  O     15.47592632      6.92070671    -11.63210221
  H     18.08210399      6.03381857    -13.30515359
  H     18.12620855      9.40872382    -10.12410241
  O     18.83105504      7.20236376    -16.62877661
  H     10.70028214      7.75313187    -13.07161061
  H     16.78986682      9.89787199    -10.74999813
  O     18.60865025     12.20527158    -11.25912067
  H     11.84745437      8.13663839    -12.10638718
  H     14.48666514      6.64277731    -13.10809602
  O     16.05626874      7.17927456    -17.37100825
  H     17.10384945     12.64567928    -12.48730799
  H     13.08654398      7.00437321    -13.66916848
  O     15.66658467      9.58184324    -12.10011114
  H     16.49083180     11.99488700    -13.73237777
  H     19.05811495      7.64449242    -11.30185579
  O     17.42494253     10.07213346    -10.03835617
  H     13.39251218      9.95839306    -14.82565816
  H     19.91159213      8.92858036    -11.31345488
  O     13.94944147      6.64643213    -13.91352459
  H     12.29083531      9.57931557    -13.82610858
  H     16.02529234      9.77216757     -8.83316232
  O     19.43139928      8.33034482    -10.73054343
  H     13.44518737     11.37065581    -12.89682587
  H     14.52353061     10.14885900     -8.76700162
  O     15.18177904      9.52771531     -8.43036741
  H     14.69085517     12.22361135    -12.45395327
  H     14.65128109      4.22716768    -15.92594607
  O     15.19263050      4.98509622    -15.71982666
  H     13.37187374     11.42599925    -10.51623561
  H     14.69132335      5.52076577    -15.08262733
          69
 Energy    -249.58687420978853     
  O     -0.04737223      2.68101934      2.11500917
  H     -0.95006941      2.45519860      1.86169688
  H      0.37190442      8.40254688      0.67623515
  O     -2.96267046      5.46186854      1.16853183
  H      0.18831767      3.44180833      1.55824616
  H     -1.61065161      3.78671526     -2.54675139
  O      4.14783628      5.79959807     -0.62858644
  H     -2.58574012      5.92397871      1.92657464
  H     -2.67086638      4.67601824     -3.24020882
  O      2.57938457      6.31520272      1.66689718
  H     -2.46372649      5.78678132      0.40294105
  H      0.91316381      7.99544520     -1.59998427
  O     -1.35789873      6.27054184     -0.87541648
  H      5.08563464      5.94070977     -0.72924402
  H      0.20338849      9.36990129     -1.69440792
  O      1.29719092      3.02478248     -1.58709979
  H      4.02811667      4.85377741     -0.42875680
  H     -3.09329865      1.78662591     -2.24553824
  O      0.61032089      4.75375412      0.44485980
  H      3.18103480      6.34383910      0.91502159
  H     -4.24683791      2.62872385     -2.82333350
  O     -1.46477332      6.86666663      3.09625587
  H      2.00590675      7.09708255      1.65525289
  H      2.83816576      1.31538047      2.79055460
  O     -1.41354952      2.31314972     -1.54264641
  H     -1.48647735      5.78806200     -1.70150700
  H      1.68181529      2.22758474      2.33088563
  O     -0.06077223      4.77410375      4.05425340
  H     -0.93169933      7.11405574     -1.07335934
  H     -5.26669425      3.78515591     -0.21090358
  O     -2.57832918      2.69379112      0.98736831
  H      1.30930845      3.54313899     -2.40026580
  H     -4.49577575      5.07130678      0.14546749
  O      0.62011745      8.20379539      1.58618969
  H      1.10712767      3.65007635     -0.86745650
  H     -5.21891859      4.91143225     -3.64912823
  O     -1.72381846      4.59569200     -3.07053413
  H      1.27845447      5.28863850      0.89331199
  H     -4.74227646      4.67519830     -2.19664893
  O      0.18155650      8.53166262     -1.24171118
  H     -0.04238033      5.34621434      0.05409728
  H     -0.03725194      4.77208154     -3.66397873
  O     -4.04287261      1.77206937     -2.42897234
  H     -1.78228484      7.37362917      3.83952062
  H      1.06574407      4.61486069     -4.73474801
  O      2.64941066      2.16152685      2.39139475
  H     -0.94287587      6.13175307      3.46812852
  H      2.83347211      3.79832786      3.48742375
  O     -5.11772776      4.69661288     -0.49178122
  H     -1.73603059      2.43689031     -0.63879115
  H      2.76770827      5.30044241      3.17431735
  O     -4.50442219      4.54810484     -3.13312814
  H     -0.44849824      2.33162857     -1.51656999
  H      3.42063547      2.83316781      0.78004739
  O      0.92372775      4.78627800     -3.80667467
  H     -0.20436957      3.97068440      3.54162568
  H      2.96065390      2.92564313     -0.68713348
  O      2.70907602      4.66049355      3.89931657
  H      0.89959171      4.82414555      4.16585316
  H     -5.76374804      1.20202312      0.25314017
  O      3.67472500      3.17521136     -0.08598358
  H     -2.70176014      3.64608919      1.11470978
  H     -4.80306793      1.73789393     -0.83717797
  O     -5.12066726      1.88174665      0.07224097
  H     -3.45147106      2.32002721      0.82030411
  H      2.80405121      6.51052442     -1.72190545
  O      2.07130069      6.88335033     -2.22796691
  H     -0.14611365      7.80654450      2.01867498
  H      1.74168150      6.18191985     -2.80178049
          69
 Energy    -249.58578662119334     
  O     10.77441963     10.94839794    -12.46625861
  H     11.61997212     11.26908266    -12.80360896
  H     16.35310056      6.06506388    -16.54341797
  O     13.82117597      7.19192960    -15.17436760
  H     10.35684602     10.47543385    -13.19759770
  H     17.77721973      6.45473603    -14.69707181
  O     17.26229962      8.97607132    -11.00542626
  H     14.25915075      6.67202552    -15.85837832
  H     18.16371842      7.26851487    -15.95487600
  O     18.51658731      9.01082639    -16.63206485
  H     14.49519744      7.80313673    -14.83252280
  H     15.26118626     13.44884403    -15.74288006
  O     12.35134702      9.51799476    -15.51282329
  H     16.42256064      9.41448148    -11.21535763
  H     14.92458621     11.97384767    -16.08128912
  O     15.56235393      7.06118904     -9.60921823
  H     17.36446577      8.23551272    -11.62055917
  H     16.25220140      9.48657939    -14.46879847
  O     13.03766066      6.34408639    -12.65329316
  H     19.33277670      9.32244657    -17.01510965
  H     15.30429504      9.23767499    -13.26711668
  O     14.77828311     10.03533980    -11.75284159
  H     18.20447808      9.71002404    -16.03326379
  H     10.63399140      9.86404786    -11.10783917
  O     15.94145393      8.73373011    -17.88490578
  H     12.77646002      8.65036147    -15.46322659
  H      9.94701149      9.46011997     -9.77976856
  O     15.36801461      5.16494035    -11.54404986
  H     11.42377050      9.39375783    -15.27886331
  H     10.33337583      7.77523485    -11.78534416
  O     17.43606305     10.83022652    -14.90307476
  H     16.22513317      7.72144612     -9.84213665
  H     11.19392253      6.80750240    -12.62935033
  O     15.51683191      5.99448174    -17.03841643
  H     14.70149850      7.48606767     -9.73296358
  H     18.22188521     10.30534350    -11.84299738
  O     17.82266309      6.41415659    -15.66031524
  H     13.76764486      5.80723285    -12.32083838
  H     19.13578204     11.53888884    -11.85069217
  O     15.27945985     12.56429767    -15.38804149
  H     13.26463290      6.58787227    -13.56221545
  H     16.61722003      6.19996864    -12.53172979
  O     15.66618462      8.83413263    -14.06814013
  H     14.25055109     10.62631711    -12.30711140
  H     16.63836028      7.50293166    -13.37991987
  O     10.55898018      9.15503269    -10.44358911
  H     14.16449720      9.45078584    -11.28558887
  H     14.83760636     10.10419646    -17.46780088
  O     10.34265317      7.26274742    -12.60347725
  H     16.84911067      8.83839973    -17.57599622
  H     13.50835152     10.38211060    -16.72235609
  O     18.58163653     11.00255034    -12.41213245
  H     15.71496835      7.81336012    -17.71089177
  H     13.07996537      7.55537672    -11.28724597
  O     17.20339849      6.85921478    -12.92332857
  H     15.46031435      5.76556519    -10.78220764
  H     12.27274517      8.51062492    -10.36321048
  O     14.26865870     10.81248803    -17.13272453
  H     15.54216452      4.28382420    -11.22337432
  H     13.95653238     11.93275252    -14.15089485
  O     13.15768601      8.17110389    -10.54352979
  H     17.85872681     10.96651620    -14.04157413
  H     13.01122843     10.72017021    -14.29164361
  O     13.31662699     11.39696294    -13.66815910
  H     16.77613034     11.52148648    -15.03943065
  H      8.91907179      9.01175112    -14.85118164
  O      9.78239440      9.15075968    -14.47187650
  H     15.59474500      5.23053842    -17.60306566
  H      9.94419614      8.41266607    -13.85699421
          69
 Energy    -249.58547972439681     
  O     13.09886811      9.36591910    -10.93618351
  H     13.57873131      9.62372297    -10.14118173
  H     16.72920686      9.99324318    -12.68320114
  O     11.20233216      7.14745768    -13.32997892
  H     13.53517794      8.59841952    -11.32855629
  H     14.24865070     14.32681865     -8.07065053
  O     12.64194931     11.36010367    -12.69567844
  H     10.84979683      6.54006078    -13.97617135
  H     13.52857096     14.98488158     -6.86988040
  O     14.25133670     10.26577097     -8.54478544
  H     11.42112647      7.96342699    -13.80791268
  H     11.54951476     12.15447596    -11.41837763
  O     15.68175352      7.38342764    -10.14967471
  H     13.45492525     11.88319722    -12.69393242
  H     10.33206371     11.89419325    -10.47989848
  O     14.61209285     15.29717760    -11.53962780
  H     12.80013867     10.63398965    -12.06954759
  H     10.97066830      7.78335371     -9.01680343
  O      9.25413974     10.56582589     -9.92509576
  H     13.48971742     10.80119107     -8.28356774
  H     10.88944380      8.57755966     -7.70162687
  O     15.06134359     12.64027227    -12.32441624
  H     14.19537051      9.40253156     -8.11638370
  H      9.75651388     10.57458817     -6.39046751
  O     15.65715938     14.23816988     -9.08141750
  H     15.13175238      7.37548456     -9.35866731
  H     10.86357468     10.90427774     -7.41793286
  O     10.58663938      8.24863778    -10.79599599
  H     15.12688243      7.06270242    -10.87464342
  H     13.02083004      7.60015266     -7.91176989
  O     12.26762347     14.99324297    -10.20317639
  H     13.73162056     15.23211643    -11.12770618
  H     14.16647602      7.05362189     -7.02916428
  O     16.30989856     10.34957449    -13.47576717
  H     14.66475233     16.15808758    -11.94520900
  H     15.51024080     11.17437719     -9.39294890
  O     13.39558359     14.39134967     -7.60371188
  H      9.56690399      9.73568824    -10.31060250
  H     16.73544418     10.91618919    -10.28969492
  O     11.08135502     12.48673370    -10.64217795
  H      9.35737292     10.45603294     -8.97303929
  H     11.55865420      9.97985302    -15.38957942
  O     11.30978424      7.81205894     -8.11265240
  H     15.41045711     12.28610419    -11.49324429
  H     12.13362661     10.25473311    -13.98456057
  O     10.17472451     10.25847218     -7.18741067
  H     14.95402728     13.58958819    -12.19101756
  H     13.79748702      8.85700800    -14.69916057
  O     13.98792075      7.59313763     -7.79484453
  H     15.97870491     13.35741224     -9.31676539
  H     15.24790987      9.11949433    -14.22345304
  O     16.16282095     11.61744536     -9.95577557
  H     15.45330278     14.67956880     -9.91519582
  H     18.28056915      8.96747043    -10.99155776
  O     11.91852453      9.54908946    -14.61795709
  H     11.44072654      8.70920841    -10.77204075
  H     16.80613967      8.62773149    -10.68199758
  O     14.62909136      8.42119624    -14.48950413
  H     10.58503563      7.76602846    -11.62920507
  H     13.00488559      6.82594606    -12.49838427
  O     17.39811422      9.32932948    -11.00470966
  H     11.74143003     14.20795024    -10.40758415
  H     14.29224137      7.44674380    -13.06771997
  O     13.91515773      7.03793921    -12.27042512
  H     12.52489118     14.90680339     -9.27782630
  H     12.53411764     12.79766901     -7.81403002
  O     12.11462573     11.97808598     -8.10629115
  H     15.94342344     11.20558744    -13.22325648
  H     11.79005161     12.13193731     -9.00643029
          69
 Ord_Energy   -249.584930    
 O   -5.78138018       5.04624397E-02   7.69325304    
 H   -5.78591251     -0.813268304       7.26815891    
 H   -4.90194082      0.428285062       7.52938747    
 O   -3.41936398       5.05311346       6.45576239    
 H   -3.42093468       4.70306110       5.55526257    
 H   -2.53041458       4.91105461       6.80107975    
 O   -1.40492308       2.40027495E-02   8.98938942    
 H   -2.08430862      0.433580816       8.43012333    
 H   -1.88566422     -0.481695056       9.65776157    
 O   -2.65317011       2.83909535       1.39567971    
 H   -2.48834395       3.32794380      0.593666017    
 H   -3.54127312       2.44649506       1.30854714    
 O  -0.770648062       4.33682346       7.38249969    
 H  -0.866054833       3.83730364       8.21312809    
 H   -4.36128192E-02   4.94067717       7.50648355    
 O   -4.09180355      -1.09751058       1.51098347    
 H   -3.19881320     -0.708370745       1.56324458    
 H   -4.05415440      -1.79072297      0.858164370    
 O   -5.07369614       1.60004258       1.40371311    
 H   -4.89855242      0.655152619       1.31867206    
 H   -5.36464071       1.73175538       2.31766748    
 O   -1.72106004      0.148089617       1.89938271    
 H   -1.87224770       1.09344637       1.77801478    
 H   -1.49746525       1.14657497E-02   2.82978988    
 O   -5.35520792      -2.34546733       6.24110079    
 H   -5.99932766      -2.93446350       5.85662556    
 H   -4.97273684      -1.82777011       5.51176786    
 O   -3.23176408      -2.81180024       8.06801701    
 H   -3.96563721      -2.71833968       7.44821787    
 H   -2.43262982      -2.56909347       7.58652496    
 O   -1.50846708     -0.252671510       4.69875050    
 H   -1.19276488     -0.824847579       5.40783834    
 H   -1.40029252      0.660447836       5.00585270    
 O   -1.17739809       2.84067178       9.59596443    
 H   -2.12388396       2.95742297       9.76988792    
 H   -1.04232776       1.88945687       9.51866531    
 O   -3.14613938      -1.58329141       10.4999266    
 H   -3.08302450      -2.23232365       11.1956558    
 H   -3.24957705      -2.07525778       9.66554928    
 O   -3.32278848       1.28186071       7.43565273    
 H   -2.77224731       1.70014870       6.76419020    
 H   -3.51252460       1.94146299       8.11970997    
 O   -6.76759481       2.37354994       6.46111822    
 H   -6.59272623       1.56306851       6.95894098    
 H   -6.43326044       3.09977889       7.00016737    
 O   -5.10538578      0.531966746       10.3778324    
 H   -5.52199984      0.310792565       9.53311062    
 H   -4.47147036     -0.176387206       10.5401020    
 O   -4.21233654     -0.808927834       4.29801655    
 H   -4.26967192     -0.997225344       3.35204649    
 H   -3.28303957     -0.617054760       4.48893833    
 O   -1.48917735       2.33127356       5.58232403    
 H   -1.08819830       2.99132657       6.16093636    
 H   -2.08428574       2.80453563       4.98183727    
 O   -5.57941723       4.50228834       7.99789238    
 H   -4.82515001       4.74767637       7.43195581    
 H   -6.06724644       5.30386448       8.16862106    
 O   -5.37868881       1.79194462       4.18542099    
 H   -5.94462347       2.02323556       4.93674088    
 H   -5.03210545      0.904742539       4.33823299    
 O   -3.32802510       3.62088251       4.01229000    
 H   -3.02265191       3.52212071       3.10271263    
 H   -4.09072399       3.02951241       4.10985136    
 O  -0.756048441      -1.74175394       6.98217535    
 H    7.23446086E-02  -2.19299197       7.12759638    
 H  -0.857953012      -1.10375702       7.70896149    
 O   -3.94813967       2.90211630       9.62364006    
 H   -4.41321087       2.14556670       10.0141630    
 H   -4.59679127       3.48480582       9.21038437    
          69
 Energy    -249.58342544975974     
  O     12.73322395     10.88257705    -15.60800344
  H     11.99203340     10.77576028    -14.98934967
  H     15.47534580      7.10620907    -18.09147834
  O     15.43475750      7.46074544    -12.88905796
  H     13.12832777     11.74632486    -15.44572305
  H     19.05730965      8.93102052    -13.56473571
  O     16.57875730     11.36914106    -10.86800796
  H     16.04713888      7.74796208    -12.19830767
  H     18.51180654      9.00359011    -12.11388843
  O     16.75587505     12.48288888    -15.07794563
  H     15.19648170      8.26323642    -13.38043335
  H     16.28649272      9.21153052    -16.70929659
  O     12.75632737      8.19958185    -16.33123194
  H     17.28698464     11.71400107    -11.42336240
  H     16.13454621      9.85919717    -15.32577374
  O     12.68572524     10.33539711     -8.59292846
  H     15.75189680     11.62406073    -11.30605642
  H     14.07335228     10.01618382    -14.65029183
  O     12.85418841      7.58657248    -11.89394572
  H     17.34713057     12.39285278    -14.31992063
  H     14.83434221     10.51584967    -13.40883119
  O     14.32259082     11.90815232    -12.27526015
  H     16.85886576     11.67595408    -15.59736869
  H     11.18441019     10.35944857    -12.87022494
  O     16.60452178      6.40573858    -15.20299179
  H     12.70526243      9.16542722    -16.30286479
  H     10.79710186      9.27445128    -13.88950087
  O     13.38141069      7.59383138     -9.12704512
  H     13.62617081      7.98187195    -16.68389507
  H     16.25122970      7.17365971     -7.83147633
  O     18.82249561      8.22811443    -15.28685974
  H     12.26140472     10.74160494     -7.84227592
  H     15.07934693      7.63945468     -8.72872557
  O     15.38534843      7.62944913    -17.29928754
  H     13.64011896     10.51068870     -8.50663570
  H     11.81306071      7.61452805    -14.98137573
  O     19.09539368      9.44177589    -12.74736912
  H     13.75456814      7.43128919    -12.21348616
  H     10.61677237      6.76655410    -14.49282821
  O     16.71953241      9.82222209    -16.09977965
  H     12.26393746      7.42468617    -12.64041219
  H     18.77543511     11.13805000    -12.84025414
  O     14.84141933      9.83540818    -14.09239001
  H     14.10803589     12.46387798    -13.03363884
  H     19.29238754     12.58868402    -12.69480548
  O     10.82259949     10.23030318    -13.75703599
  H     13.52904540     11.43281173    -11.98775919
  H     16.82984194      8.24031266    -10.11246073
  O     16.01604639      7.79785906     -8.51228889
  H     16.17256706      6.60724893    -14.36106566
  H     16.86784414      9.55238692    -10.93413982
  O     11.26079416      7.40874445    -14.20601366
  H     17.46151099      6.84764482    -15.16751728
  H     15.70641251      9.69697505     -8.33473400
  O     18.50234281     12.07372922    -12.83865368
  H     13.01046895      8.44719815     -8.87133467
  H     15.86227216     10.98424324     -9.17201886
  O     17.08179382      8.60843997    -10.96834836
  H     13.12585915      7.45711692    -10.04908210
  H     12.31718234     10.37925067    -10.40113013
  O     15.38362673     10.60223654     -8.42480178
  H     19.52681595      8.23704319    -15.93074368
  H     12.53037076      9.36472104    -11.55484843
  O     12.29859087     10.28506105    -11.36162791
  H     18.14583949      8.85144714    -15.60165023
  H     15.08782736     13.00333014    -14.91467775
  O     14.14880734     13.22121113    -14.77229666
  H     15.77818995      7.11111500    -16.57351362
  H     14.03583792     14.13271126    -15.02811703
          69
 Ord_Energy   -249.582687    
 O    2.25922418      -1.25889385       1.32820892    
 H    2.31556773     -0.842048347      0.459027052    
 H    2.20929170     -0.552566826       1.98405588    
 O   0.335921079       2.16215706       1.16851532    
 H  -0.216827661       1.39863086      0.939872384    
 H  -0.264952838       2.78922391       1.59166873    
 O   -2.75708914       1.51377332       4.08030462    
 H   -2.72294521       2.02012968       4.90254211    
 H   -2.01093698      0.896632552       4.10028315    
 O   -4.56975985      -1.56214237     -0.872131884    
 H   -5.23673582      -2.14192867      -1.23074806    
 H   -4.44672346      -1.82165480       5.86764216E-02
 O   -4.83593903E-02   1.21419322       6.59309578    
 H  -0.269044518      0.561512470       5.91370821    
 H  -0.830212831       1.77136111       6.68937016    
 O   -2.23741221       3.06376433       6.35356426    
 H   -1.63234448       3.62200809       5.83077860    
 H   -2.67537475       3.63761449       6.97558689    
 O   -1.77520978       3.52568889       2.35236573    
 H   -2.26005769       3.45578408       1.51748681    
 H   -2.14376974       2.84103966       2.92862082    
 O    1.75225222      0.873976171       3.11380959    
 H    1.94140065       1.49386752       3.82820821    
 H    1.34454215       1.39255607       2.40263700    
 O  -0.592527330     -0.215315461       4.22780180    
 H  -0.907813311     -0.941770017       3.67412853    
 H   0.228932738      0.103240639       3.82905984    
 O    8.44780006E-04  -2.14881372      -1.49154449    
 H   0.768721104      -1.56381071      -1.53304422    
 H   0.113521136      -2.66774416     -0.686836660    
 O   -1.63498425      0.310792893      0.609184325    
 H   -2.19597578       1.09642971      0.579510510    
 H   -1.69922221      -8.51619914E-02 -0.269242585    
 O   -2.17708611     -0.619407475      -1.98539484    
 H   -2.99872136      -1.02888918      -1.68450367    
 H   -1.45530236      -1.26511490      -1.92099977    
 O    1.81101990       2.70227480       5.26217937    
 H    1.21537983       2.17110133       5.82065439    
 H    2.52525687       2.99515867       5.82247686    
 O  -0.501874149       4.36572361       4.73022795    
 H  -0.851563394       4.24850464       3.83659244    
 H   0.343245625       3.90215302       4.77104616    
 O   -1.85894167       2.04285431      -2.50321174    
 H   -1.99687219       1.08331716      -2.41584969    
 H   -2.14526153       2.28317547      -3.38091278    
 O   0.859082818       2.03662252      -1.56684303    
 H   -2.24244595E-02   2.11347866      -1.94939506    
 H   0.767118990       2.27028513     -0.632542908    
 O   -5.16467810       1.06819701      0.208561644    
 H   -5.20440149      0.864904225       1.15217125    
 H   -5.03544283      0.224293053     -0.239499152    
 O   -5.02343750      0.392515332       2.98296332    
 H   -4.23318911      0.797132075       3.37622094    
 H   -5.72842216      0.500726163       3.61718583    
 O    2.18425846     -0.320214689      -1.37221229    
 H    2.95538116     -0.301014662      -1.93333721    
 H    1.73603606      0.535515070      -1.48762190    
 O   0.560228586      -3.32845426       1.06284082    
 H    1.21666145      -2.62211394       1.21174645    
 H   0.994198680      -4.15497589       1.25487518    
 O   -1.51735592      -1.90567982       2.25584555    
 H  -0.849329114      -2.49247694       1.87958610    
 H   -1.55030358      -1.11535478       1.69320142    
 O   -3.01759529       2.72777152       1.61375701E-02
 H   -2.64925671       2.64682269     -0.871731102    
 H   -3.86677241       2.25844169       2.23163404E-02
 O   -4.25097704      -2.08134866       1.76787698    
 H   -4.56829071      -1.31285393       2.25766993    
 H   -3.31946230      -2.17799711       2.00983596    
          69
 Energy    -249.58242887457484     
  O     -6.40323985      2.37382467      0.93759240
  H     -5.52925882      2.77257802      1.05383334
  H     -0.01568051     -0.74189548      3.44010372
  O     -6.84997941      1.37794391      3.52382537
  H     -6.69108888      2.10088405      1.81757329
  H     -0.23923233      1.50408996      3.69514416
  O     -2.25672278     -2.63464439      1.07117361
  H     -7.50961921      1.55310737      4.18931177
  H     -0.19136100      2.07911662      2.27247264
  O     -3.76308885     -0.99847149     -0.65911245
  H     -5.99096033      1.63820785      3.90404539
  H     -3.48858730      2.37038872      1.20114156
  O     -4.82856582     -0.01223326     -4.19812923
  H     -2.89012878     -2.74561247      1.78983460
  H     -3.39516601      3.72254805      1.93079986
  O     -6.38134967     -0.14316548     -0.29725541
  H     -2.75229145     -2.21248719      0.35721081
  H     -1.21818499      1.07102412      0.79062826
  O     -2.90947977      0.97538892     -2.45726648
  H     -3.42278747     -0.39526616     -1.33300608
  H     -0.21967542      1.46107884     -0.33710080
  O     -3.82863131      3.46186922     -1.59142927
  H     -4.70565122     -0.80238455     -0.56440374
  H     -7.92240400      0.35857354     -3.48662539
  O      0.07574437     -1.30558997      1.82602761
  H     -4.46825625     -0.76245108     -4.66523326
  H     -6.37700164      0.33287637     -3.42487041
  O     -0.23713225      1.85146201     -2.19539197
  H     -4.09896573      0.34693981     -3.66941932
  H     -3.29977885     -1.14293716      3.80810899
  O     -4.19323121     -2.63602326      3.20519257
  H     -6.35156413      0.73367817      0.11320350
  H     -1.99307497     -0.35667193      4.17607350
  O     -0.16741253     -0.33268997      4.31321383
  H     -6.75994728     -0.01888730     -1.17545100
  H     -6.51159830     -0.35601645      2.80412036
  O     -0.35772087      2.31930856      3.19404378
  H     -1.95533418      1.11339976     -2.45769287
  H     -6.41112267     -0.96848168      1.39512798
  O     -3.77689203      3.29748649      1.15550598
  H     -3.29964142      1.80607749     -2.14788374
  H     -3.22805137      0.06547690      0.72188045
  O     -0.28141877      1.22966603      0.59507226
  H     -3.74369060      3.50377245     -0.62787236
  H     -2.91090583      0.37966516      2.22178077
  O     -7.17973300      0.54025084     -2.91658075
  H     -4.77580587      3.44334763     -1.78959577
  H     -1.71882877      3.38310743      3.45832842
  O     -2.92837539     -0.26329530      3.95324293
  H      0.09360933     -0.50554589      1.28604041
  H     -2.21050829      4.72809619      4.03775686
  O     -6.28923430     -1.16766397      2.33187495
  H     -0.68776253     -1.82460520      1.53223938
  H     -6.68098798      2.96793043     -0.85296761
  O     -2.91154732      0.74577213      1.32858918
  H     -0.54777660      2.76617278     -2.31654388
  H     -6.82945281      2.31830375     -2.24244790
  O     -2.50405079      3.94770204      3.57567337
  H      0.54142867      1.74893111     -2.73673535
  H     -3.89748202      1.19308899      4.41710005
  O     -6.54152600      3.12362424     -1.79723521
  H     -4.51904030     -3.41695614      3.64418578
  H     -3.82471954      2.72424257      4.25573232
  O     -4.41831065      2.00550094      4.49867895
  H     -4.97362571     -2.15268638      2.87773443
  H     -1.29719069      5.25603408     -2.52377556
  O     -1.37305357      4.30613877     -2.49652284
  H      0.47507224     -0.70595374      4.90925517
  H     -2.28845157      4.11506603     -2.23248830
          69
 Energy    -249.58221000746170     
  O     14.72806958     12.34401340    -15.58959642
  H     14.21932519     11.69829072    -15.06780190
  H     18.93201158     10.37743821    -16.71256337
  O     16.03452007      5.78078849    -14.52590475
  H     14.17400606     13.11459360    -15.68244901
  H     16.51003273      7.51122578    -14.80748535
  O     18.72576752      8.13841134    -11.91384449
  H     15.25424378      6.07520733    -14.03488197
  H     15.97771311      8.62589759    -15.72218805
  O     16.36993604      6.08696182    -17.31193617
  H     16.71705295      5.56488114    -13.87632135
  H     13.70582769     10.20098236    -13.32502163
  O     14.86376840      8.27080276     -9.37307371
  H     18.17338046      8.88594446    -12.18661786
  H     13.00956444      9.71268688    -14.61239160
  O     13.92584818      6.96323380    -13.17001497
  H     19.52502471      8.18892558    -12.45097579
  H     17.13305964      5.57882845     -9.87770761
  O     17.10849609     10.10923426    -12.94766466
  H     17.32983370      6.08447290    -17.39124946
  H     17.06503866      4.06244944     -9.56538081
  O     19.27713591      6.13738236    -17.20427890
  H     16.19096966      5.80483047    -16.40324112
  H     11.87384610      7.80375048    -15.93693714
  O     14.24891710      5.90791146    -10.56064473
  H     14.57298781      7.41006004     -9.72687716
  H     13.37885510      8.11557734    -16.11117063
  O     19.14167227      8.69925376    -16.10717567
  H     14.35814394      8.42957796     -8.58041183
  H     21.57453661      8.73246177    -13.92866861
  O     19.98748736      5.55803815    -14.64325695
  H     14.21751715      7.79015966    -12.75847952
  H     20.23650674      8.49277857    -14.66558644
  O     18.66157960     11.27576303    -16.96208130
  H     13.37956512      7.21979932    -13.92350466
  H     17.66141052      5.07837189    -11.85165578
  O     16.62731284      8.44364934    -15.03331498
  H     17.27606768     10.97057411    -13.35281998
  H     18.22348014      6.42096239    -12.38143002
  O     13.34914262     10.50013272    -14.17161768
  H     16.89133748      9.51501305    -13.68460004
  H     16.71155547      7.72817734     -9.40916880
  O     16.84804696      4.71382638    -10.22689372
  H     19.78818267      5.61878099    -17.82008534
  H     18.02494514      7.64136220    -10.23157759
  O     12.66374673      8.03365235    -15.45492094
  H     19.51192052      5.82337825    -16.31235146
  H     15.45044059     11.33377446    -16.99883844
  O     20.76373340      8.23079273    -13.89308602
  H     15.05075645      5.37139728    -10.54442137
  H     16.84195798     10.93775637    -17.51614583
  O     18.02510144      5.50800517    -12.63536751
  H     14.05085029      6.09767251    -11.48727143
  H     14.69754709      9.13774467    -11.01175534
  O     17.53595968      7.23506500     -9.50382945
  H     18.25618138      8.63733182    -15.71542699
  H     15.52693459      9.71471451    -12.19602290
  O     15.90293416     10.75131894    -17.62388183
  H     19.25877680      7.89452968    -16.62871069
  H     17.89517076     12.05470453    -15.35240488
  O     14.65311080      9.38267333    -11.94343558
  H     19.33363198      5.35094862    -13.96239030
  H     16.47979304     12.41113287    -14.87300214
  O     17.39136644     12.30530950    -14.56926224
  H     20.42933198      6.35803264    -14.33457152
  H     15.13895359      9.14280010    -17.50377061
  O     14.75678776      8.32686292    -17.14782615
  H     19.34023799     11.61837280    -17.53859546
  H     15.31810409      7.57058694    -17.37644192
          69
 Energy    -249.58209209256486     
  O     -5.35606107      1.86310167      2.45951312
  H     -6.23614837      1.63289607      2.74293583
  H     -3.23738352      2.77298559     -1.52465766
  O     -1.71120210     -1.48283791      1.26947604
  H     -4.86138502      2.13183526      3.25508929
  H     -0.48520742     -1.43935510     -2.16334402
  O     -0.52742215      4.50142059     -1.79431741
  H     -1.48621547     -1.57102137      2.20364791
  H      0.27494673     -0.13633917     -2.47113408
  O     -2.88833282      0.81894115     -1.66439127
  H     -2.26898444     -0.69155152      1.21013244
  H     -1.16826300      1.66736614      3.43489485
  O      1.71814554     -0.50333788      3.04012839
  H     -0.05446863      4.72104357     -0.97278230
  H     -0.64589283      2.05342160      4.82811258
  O      0.81996072      5.08416323      0.49510010
  H     -0.42081921      5.24979246     -2.37633179
  H     -3.63650388      5.02165291      2.61711350
  O     -1.02254364      2.31984248      1.77056492
  H     -3.06590483      0.88462127     -0.71289960
  H     -3.68229655      6.13643660      3.69140472
  O     -0.93055056     -1.24989237      3.99261948
  H     -2.79270854     -0.12585527     -1.82743168
  H     -2.48808022      1.46966285      1.28585032
  O     -2.21534686     -1.97036241     -1.45286047
  H      0.90763851     -0.81320028      3.45893160
  H     -3.99066691      1.10578135      1.51849903
  O      0.98765663     -1.24293765      0.41360402
  H      1.68347275     -0.85484003      2.14146835
  H     -2.95564512      2.24585200      4.56430768
  O      2.35279771      2.15453150      3.58200364
  H      0.35980907      5.15640219      1.34171824
  H     -3.57373080      3.63457789      4.27872096
  O     -3.20739667      3.66970733     -1.17461181
  H      1.62607421      4.58574313      0.67532631
  H     -0.33778191      2.70143576     -2.24943060
  O      0.40078488     -1.07491870     -2.28443827
  H     -0.88902971      3.23638168      2.04188875
  H     -1.22182935      1.43919504     -2.08851669
  O     -1.25107373      1.45147666      4.37716574
  H     -0.26392542      2.05936277      1.23310672
  H      1.28073450      2.98064951      4.59215911
  O     -3.23165592      5.33204342      3.44952547
  H     -1.09102559     -1.75498393      4.78606138
  H      1.01503034      3.74600390      5.91391355
  O     -3.18482508      0.83122244      1.06615945
  H     -1.09612501     -0.31835639      4.21634600
  H     -3.98305614      4.11526567      0.38971960
  O     -3.79373608      2.72048611      4.49884629
  H     -2.63667641     -2.80985266     -1.62220131
  H     -4.83302997      3.49551136      1.52802304
  O     -0.31584708      1.73556740     -2.26016303
  H     -2.06479477     -1.92624389     -0.49509669
  H      1.11727998      0.55461187      0.28555151
  O      0.59369682      3.43446357      5.11827959
  H      0.07739834     -1.36103219      0.71764473
  H      0.62388463      1.60882455     -0.74358592
  O     -4.36842152      4.29536424      1.25940366
  H      0.95623682     -1.29637716     -0.55302823
  H      2.32380617      2.58331384      0.63040295
  O      1.06283518      1.50304132      0.11146155
  H      2.64712902      2.55721944      2.75787143
  H      3.77057535      3.12574430      0.54329644
  O      2.94094734      3.24030410      1.00020380
  H      2.19159919      1.21708999      3.39978684
  H     -1.45586580      5.08996548      3.14241527
  O     -0.55339049      4.82312641      2.92079399
  H     -2.32108641      4.00016534     -1.36524751
  H     -0.15070344      4.45807146      3.71911270
          69
 Energy    -249.58179215963509     
  O     12.20099831      9.70583847    -10.65463744
  H     12.29016379      9.03517247    -11.34348253
  H     14.21213808      7.83128528    -12.15740354
  O     12.44506862      7.44308161    -12.29179940
  H     11.50627447     10.32171480    -10.91537454
  H     13.83934240     14.74669930     -8.57728256
  O      8.69982736      9.88921672    -12.75272228
  H     11.90516854      7.81619814    -13.00897411
  H     13.88774650     15.25681001     -7.11792769
  O     14.37152350     10.77332416     -9.44964777
  H     11.87419023      6.91571696    -11.72363743
  H     10.18242448     12.23489583     -9.76948825
  O     15.12112057      8.06891512     -9.04413770
  H      8.71676024      9.31833517    -11.96161063
  H     11.00821555     12.29084440     -8.45149137
  O     11.96932185     15.70372463    -11.54790530
  H      7.79907687      9.90429997    -13.06353244
  H     12.12451469      8.43676241     -7.71501939
  O      8.89303750      8.39811234    -10.51583368
  H     13.61465127     10.45385370     -9.97146307
  H     12.21189473      8.61627641     -9.24985148
  O     12.33328951     13.15331097    -12.66910443
  H     14.86952405      9.98302908     -9.21594403
  H     11.99506671     10.53112408     -6.77378740
  O     14.39011363     14.91972873    -10.22126507
  H     14.19003716      7.92232694     -8.81159844
  H     11.53514208      9.77834366     -5.50579310
  O     10.88065299      6.30538711    -10.17414509
  H     15.63678749      7.47810753     -8.50095300
  H     14.76878321     11.94461467    -10.77062796
  O     10.94332471     15.17316717     -9.08919323
  H     11.52150087     15.54445342    -10.69765237
  H     15.14988181     11.88986743    -12.26299758
  O     15.07976259      8.21439134    -11.95873498
  H     11.65662472     16.54415536    -11.87123073
  H     11.57163710      9.57433465    -14.29170535
  O     13.42198552     14.66290460     -7.70047925
  H      9.48137624      7.64089772    -10.43843785
  H     10.17246059      9.18053004    -13.74663712
  O     10.14433981     12.49317683     -8.83454648
  H      8.96619924      8.89006190     -9.68438396
  H     10.99601089     12.17435957    -11.96087740
  O     12.37035596      7.98222469     -8.53001034
  H     12.15391486     14.06581647    -12.41104812
  H      9.77178305     11.17421160    -11.99276218
  O     11.61673404      9.69526901     -6.45253610
  H     13.18604796     12.92077983    -12.27464278
  H      9.36273193     10.81960367     -8.38116511
  O     14.84057323     12.48652473    -11.56920440
  H     14.69851923     14.14842685    -10.71447686
  H      9.93558800      9.69458854     -7.52396662
  O     10.99805858      8.81962219    -14.08767117
  H     13.66827336     15.29513599    -10.74079815
  H     12.53738105     11.77854385    -13.97671990
  O     10.38735221     11.65043644    -11.42177119
  H     11.39076482      6.76428870     -9.48750339
  H     13.65931690     10.74594394    -14.16103038
  O      9.26082311      9.87893911     -8.18441470
  H     10.69379068      5.43080104     -9.84134963
  H     15.33686054      9.65734105    -12.90424611
  O     12.74870319     10.94280622    -14.40999467
  H     10.49011147     14.32438188     -8.99459073
  H     16.13140095     10.31518648    -14.05495543
  O     15.42985132     10.47256313    -13.42827584
  H     11.70962916     15.12052927     -8.50582599
  H     12.93292862     12.89234311     -7.51334132
  O     12.68147121     11.96502852     -7.61128079
  H     15.19912941      8.11994475    -11.00856151
  H     13.32272625     11.57153046     -8.22065975
          69
 Energy    -249.58173356535178     
  O     10.76384863      9.04792960    -12.17284055
  H     10.64665918      8.42674763    -12.90094392
  H     14.21934951      4.86196515    -10.50250254
  O     12.43931002      4.97460132     -8.12606486
  H     11.62598077      9.45841174    -12.31449674
  H     14.47001757      4.52674633    -14.53885628
  O     17.04580431      6.58397672    -13.80639266
  H     13.25198645      4.76231603     -8.61317855
  H     15.49332953      5.68375747    -14.20081295
  O     14.16933923      2.79109885    -14.58607936
  H     12.41369836      4.39144522     -7.37128499
  H     12.50300946      5.46819610    -12.02316390
  O     17.22739991      5.64532322     -9.94006351
  H     16.86897375      7.24863247    -14.48321019
  H     13.88833152      5.57700847    -12.70060610
  O     16.30391689     10.07693591    -13.04753573
  H     16.91345852      7.02860700    -12.95621481
  H      9.27437493      8.75820392     -9.42286543
  O     12.48297744      7.84209992     -8.32843829
  H     14.88449891      2.38997218    -14.07471209
  H     10.27820738      8.55402375    -10.57961058
  O     13.37993381      7.86208555    -14.86286750
  H     13.35723684      2.60494685    -14.09969401
  H     13.75176093      7.21242583    -11.02700752
  O     11.93961895      2.34582172    -12.79135770
  H     17.10292895      6.49708714    -10.39216655
  H     13.57542151      8.04750282     -9.72449595
  O     16.22343091      1.86145390    -12.85036278
  H     17.89208555      5.78952310     -9.27064992
  H     17.53153630      4.93546021    -12.99664684
  O     14.02416843      2.06002996    -11.07018934
  H     15.35969617     10.18805589    -12.87190062
  H     17.49823378      4.57760773    -11.50312485
  O     14.63388159      4.46670413     -9.71785797
  H     16.34580188      9.73535227    -13.94803300
  H     15.75615393      7.95196850    -10.98249849
  O     14.56272052      5.46977473    -14.34299087
  H     12.46548603      6.89873524     -8.12589690
  H     16.73500246      8.74853064    -11.86135553
  O     13.43038097      5.67065335    -11.85479042
  H     11.61786377      8.04761698     -8.70715047
  H     16.09665884      8.87042042    -16.44127448
  O     10.01699636      8.22828048     -9.70002731
  H     13.77863592      6.98656309    -14.73089738
  H     15.04468415      8.43758438    -15.39965990
  O     14.04527068      8.01301490    -10.56823346
  H     12.42924977      7.71483596    -14.79891380
  H     10.98657733      5.19734487     -9.36211837
  O     17.53250297      4.18865762    -12.38515698
  H     12.63590412      2.24293779    -12.11789810
  H     10.12690236      6.36655293     -9.88261121
  O     16.65286998      7.92960011    -11.35215698
  H     11.44396082      1.53052605    -12.79528535
  H     13.67020334      9.18107065    -11.88468096
  O     15.99054047      8.61517854    -15.52790267
  H     16.87207457      1.17787628    -12.99558914
  H     13.47980422      9.09120703    -13.42295287
  O     10.31479874      5.42788047    -10.01445727
  H     16.71740754      2.68532013    -12.69151596
  H     10.72522400      6.30801168    -13.73692982
  O     13.48377908      9.70766153    -12.67796059
  H     14.80381977      1.90126280    -11.61843978
  H      9.95165095      7.00209469    -14.87872406
  O     10.68981059      7.11134283    -14.28385906
  H     14.25847643      2.79410134    -10.48905974
  H     11.14035023      4.01905507    -12.72714016
  O     10.84725618      4.93277716    -12.61787065
  H     15.52656958      4.82611139     -9.67293976
  H     10.53879806      5.04574462    -11.70332145
          69
 Energy    -249.58172135912650     
  O     17.86584220     12.34924373    -17.60905093
  H     18.03722561     12.99020606    -18.29599511
  H     17.22670653      4.66446491    -11.38993297
  O     15.16614228      6.08361340    -13.32020786
  H     17.41967560     12.82710260    -16.89318460
  H     20.78571313      8.35884561    -16.70921355
  O     18.37039293     11.79667809    -12.00077767
  H     15.14267136      6.09279833    -14.28471215
  H     20.87087329      9.66930300    -15.92222963
  O     21.40859939      7.71535725    -13.47982359
  H     14.83512482      6.93956327    -13.02053143
  H     16.95772247      9.36415005    -14.87471383
  O     14.30424568     11.30085153    -11.19327097
  H     18.82148086     12.41081660    -12.59760650
  H     17.90957731      8.20992926    -15.30374080
  O     14.78540521      8.70143399    -12.29839119
  H     18.77386530     10.92878454    -12.14354668
  H     17.97229496      8.53046674    -11.46496689
  O     19.35754152     13.26736022    -14.10244351
  H     22.32430538      7.59192561    -13.24550764
  H     17.27058858      7.20915101    -11.10732401
  O     19.38446954      5.72646784    -13.88162527
  H     21.39759166      8.07403420    -14.38588392
  H     15.07091987      9.24542972    -16.42113782
  O     15.25943694      9.97129449    -14.71685730
  H     13.64292244     11.63889541    -10.59591881
  H     15.12379424      7.80438893    -16.94302663
  O     18.03618653      6.52776996    -16.08711539
  H     15.11166756     11.15071624    -10.66647497
  H     16.86073033      9.83654083    -10.11036322
  O     15.36810347      6.06615011    -16.15762694
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  H     17.32388322     11.24681089    -10.52699437
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  H     20.07870761      8.76289627    -12.69252942
  O     21.24493657      8.77903739    -15.97240481
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  H     18.72875615      9.13761302    -13.34255562
  O     17.87655363      9.06943577    -14.86732598
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  H     16.79304712     12.08898264    -12.86108372
  O     17.21364188      8.16457948    -10.98617120
  H     20.09390707      6.33402486    -13.64042468
  H     15.26417105     12.09029244    -12.62665259
  O     15.18799696      8.72379500    -17.22655194
  H     18.78786568      5.66170474    -13.12588880
  H     19.85050486      7.47305712    -18.93016826
  O     16.66677636     10.77603627     -9.99553944
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  H     18.88044119      8.42964877    -18.19668165
  O     19.24520469      9.21604038    -12.52402580
  H     15.46183729     10.84381568    -14.35801601
  H     16.32030246     14.61544472    -15.44154614
  O     15.94292143     12.28090692    -13.28561245
  H     18.56391982      6.16351081    -15.35874429
  H     16.41429292     13.27488259    -14.68835552
  O     19.57527891      7.75816715    -18.06316147
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  H     19.00309817     10.35203472    -15.49699327
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  H     15.17504959      5.28003031    -16.66279272
  H     19.16271207     11.48077785    -16.53438038
  O     19.61197543     11.04191654    -15.80258656
  H     16.33608537      6.17582908    -16.16814442
  H     16.71638800      9.24066260    -18.03014353
  O     17.57515922      9.55085114    -18.35604084
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  H     17.60540096     10.49406704    -18.17059369
          69
 Energy    -249.58148497424497     
  O     -5.49180927      1.82282880      2.43415006
  H     -5.01367992      2.05157205      3.25227361
  H     -2.37278677      4.13984144     -1.22876621
  O     -1.77888289     -1.43506286      1.14455659
  H     -6.36437556      1.54034182      2.69220845
  H     -0.41060326     -1.24113714     -2.16784651
  O     -0.57107454      4.68351914     -1.60171582
  H     -1.48828454     -1.51845181      2.06515865
  H      0.33248667      0.08675289     -2.40432834
  O     -2.87505745      0.96597232     -1.68192086
  H     -2.36312314     -0.66278587      1.12218695
  H     -1.34292810      1.62134643      3.51673758
  O      2.07178195     -0.75802102      2.95095471
  H     -0.12200161      4.87350637     -0.75976591
  H     -0.81981056      1.97024670      4.91685597
  O      0.71457336      5.17812624      0.74631050
  H     -0.48365621      5.46758994     -2.13822531
  H     -3.78248348      4.97465595      2.77073752
  O     -1.16361214      2.34810808      1.85821709
  H     -3.09624505      0.98833299     -0.73727512
  H     -3.87565061      6.03334621      3.89696292
  O     -0.71076765     -1.22548840      3.66673979
  H     -2.75863189      0.03063591     -1.88186297
  H     -2.60778402      1.49436048      1.30375549
  O     -2.15713308     -1.81960961     -1.58975025
  H      2.74309850     -1.40658453      3.15190974
  H     -4.11032368      1.10855744      1.47951142
  O      0.92736501     -1.11184157      0.47617064
  H      1.76928599     -0.94638702      2.04702060
  H     -3.15326898      2.11608568      4.62843917
  O      2.26075767      2.01114119      3.68734898
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  H     -3.76159549      3.51550061      4.37524437
  O     -3.25945619      3.79203749     -1.07545280
  H      1.52185502      4.68615836      0.93475793
  H     -0.35230894      2.91004465     -2.13798510
  O      0.47159766     -0.85029005     -2.22017078
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  H     -1.21832369      1.62781795     -2.04417949
  O     -1.43516005      1.38925828      4.45365046
  H     -1.04988292      3.24975531      2.18337377
  H      1.16164530      2.85168811      4.70629518
  O     -3.39694239      5.25612254      3.62235852
  H      0.24336413     -1.11813630      3.58508309
  H      0.89296623      3.57678638      6.04819116
  O     -3.29484271      0.86903688      1.02464305
  H     -1.02709439     -0.40847310      4.07547980
  H     -4.07605648      4.15890875      0.49799142
  O     -3.98929707      2.59368398      4.54762271
  H     -2.59208538     -2.64188734     -1.80227707
  H     -4.94709355      3.49089010      1.59268514
  O     -0.31355700      1.94561342     -2.18304161
  H     -2.05347885     -1.80407991     -0.62387761
  H      1.02402148      0.69094556      0.35559691
  O      0.48386075      3.32335367      5.22551143
  H      0.00317616     -1.24540170      0.73161761
  H      0.56925600      1.78470504     -0.64679965
  O     -4.47974664      4.30238317      1.36584884
  H      0.94685492     -1.12748877     -0.49215844
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  H      2.55195385      2.48710397      2.89987475
  H      3.66147169      3.28781510      0.72790392
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  H      2.20896841      1.07809640      3.44811277
  H     -1.61633205      5.04627364      3.34621950
  O     -0.70861655      4.80302853      3.11808669
  H     -3.26696252      2.90843712     -1.45852642
  H     -0.30405682      4.40093074      3.89753036
          69
 Energy    -249.58147401485292     
  O     12.35192126     13.03494024    -13.77621743
  H     11.71031182     13.60696054    -13.36323675
  H     17.52558303     11.18911973    -15.48387925
  O     17.95214212      6.72350125    -14.57269023
  H     13.01292329     12.81560260    -13.09743550
  H     14.12577888      8.47255880    -19.30881752
  O     19.29156872     10.96604962    -12.78131420
  H     17.29559263      6.25739642    -14.04127141
  H     13.58826475      8.46459536    -17.85758695
  O     16.78079680     14.06265940    -14.00355775
  H     17.46498716      7.10700000    -15.31349449
  H     14.72809699      9.72486215    -13.19013113
  O     15.91673792      9.71012569     -9.40795267
  H     19.36753530     10.00611177    -12.78396768
  H     16.13113026      9.52803712    -12.58642512
  O     15.88171244      5.86345506    -12.75696316
  H     18.77923072     11.20567349    -11.99478049
  H     13.09394509     10.81970146    -15.82977463
  O     14.31136601     12.33295166    -11.98874545
  H     16.01775684     13.97482757    -14.59267779
  H     12.17124345     11.45661016    -14.77230559
  O     12.40526835      8.11049144    -16.60940354
  H     17.49968074     13.55369526    -14.39394880
  H     18.91723451      7.65140556    -13.43639551
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  H     20.16539017      7.67203023    -12.52337369
  O     16.23287617      8.02704908    -16.39942902
  H     15.83089346      9.63816320     -8.46113998
  H     13.40474291      8.18094196    -13.61126856
  O     14.22179392      6.98020206    -14.72084874
  H     15.82303797      5.14100769    -12.13727001
  H     12.71662923      9.55106948    -13.81290501
  O     16.77902911     10.58339962    -15.55086192
  H     16.14466785      6.65047168    -12.24904951
  H     16.56191463     14.10522501    -12.32296077
  O     14.34158026      8.72831424    -18.41630662
  H     14.85220869     11.64713963    -12.40816753
  H     16.54251388     14.93539948    -11.01492330
  O     15.60728168     10.12538967    -13.13190885
  H     14.92630771     13.01086216    -11.68191254
  H     19.66669588     12.64618669    -15.40066993
  O     12.35460157     10.62898480    -15.23361064
  H     12.16473718      8.92933976    -16.15724898
  H     19.06111598     11.88554652    -14.19236341
  O     19.34032422      8.11891456    -12.69428724
  H     12.86577041      7.56950118    -15.95446022
  H     17.07481225     11.08618030    -10.16013960
  O     13.08808342      8.96326536    -13.13921747
  H     17.74928284      8.18900057    -11.71944054
  H     17.26398088     12.48530733    -10.79499670
  O     16.37712885     14.06490065    -11.36447278
  H     16.62768734      8.60424806    -10.68751807
  H     14.43545847     10.48194712    -17.61462958
  O     18.84243526     12.36881965    -15.01183684
  H     15.71161117      8.15752003    -17.20013358
  H     15.32625582     11.04087262    -16.48586319
  O     17.70725551     11.64487431    -10.62379074
  H     16.51599752      8.91034084    -16.11716856
  H     13.62512767     10.96501320    -10.89451204
  O     14.49173386     11.18515936    -16.95817117
  H     14.91008042      7.36021474    -15.28604683
  H     13.20924696      9.55110892    -11.31046645
  O     13.47167793     10.07667127    -10.54349426
  H     14.68565641      6.45338792    -14.05864815
  H     13.72933780     13.59157985    -15.03440746
  O     14.51472476     13.69063012    -15.58461672
  H     16.40339176     10.48933901    -14.66171257
  H     14.48373471     12.95807768    -16.21184481
          69
 Energy    -249.58135994738288     
  O     10.67531184      9.78817522    -11.43007302
  H      9.88498378      9.43814514    -11.02827063
  H     12.58351660     11.77165009     -9.66126406
  O     14.47660562     10.80827802    -12.81367548
  H     11.20611472     10.18610070    -10.71563257
  H     10.75193628     10.66887009    -18.54507358
  O     16.90175742     13.29395461    -13.70259227
  H     14.04062854      9.97761332    -12.59396986
  H     11.84432502     11.58781512    -17.95196854
  O     15.02830682      7.97370264    -11.24454628
  H     15.33575645     10.85798800    -12.37683497
  H     13.65048668     14.63553472    -15.45178539
  O     10.96973789     11.64891186    -13.53200645
  H     16.12619823     13.76576074    -14.02238465
  H     14.78248105     13.61925882    -15.65555304
  O     12.07808625     14.95000899    -16.43031160
  H     17.36168139     12.96788134    -14.48738360
  H     17.91080421     11.14200984    -15.74555332
  O     15.42777232     12.40943091    -16.88873163
  H     14.27804812      7.92052103    -11.85103883
  H     18.96239324     12.09322957    -16.36682476
  O     14.59984037      9.39358803     -8.96931724
  H     15.82243294      8.12145441    -11.77206111
  H     13.30749046     13.44021951    -11.02394423
  O     13.19035662     13.16204028    -12.77303694
  H     10.75315819     11.07095074    -12.79059168
  H     13.18307200     14.30633663     -9.74971717
  O     14.63264668     10.18998954    -15.49162758
  H     11.67885406     12.23847112    -13.23916701
  H     17.43783810      9.17524286    -14.38984735
  O     17.48729807      8.72497985    -12.53322469
  H     11.62681688     15.75902427    -16.65601927
  H     16.40266075      9.58788502    -15.45489349
  O     12.26405691     10.86629377     -9.56547150
  H     11.39018790     14.30420969    -16.18859898
  H     15.03370212     12.51640287     -9.62796840
  O     11.14676593     10.94739569    -17.72310634
  H     16.38536204     12.39942614    -16.78086342
  H     15.42841493     11.08262369     -9.21593283
  O     14.41447002     14.24074329    -15.01140308
  H     15.10535505     11.60128448    -16.45935131
  H     11.60498961      9.95816134    -16.19945935
  O     18.08377176     12.06684057    -15.99857562
  H     14.76084802      8.82725008     -8.21904916
  H     11.60868158     10.36512330    -14.71486408
  O     13.39317114     13.42773812    -10.05585804
  H     14.77050731      8.85913570     -9.76445434
  H     12.71619380     13.66315467    -17.73485296
  O     17.35207689      9.54789514    -15.27488894
  H     13.56821993     13.64640654    -13.51803320
  H     13.91476385     12.71506134    -17.90951198
  O     15.79128329     11.93646764     -9.48502834
  H     13.65537972     12.30843476    -12.75226144
  H     12.03183047      8.83043012    -12.30443278
  O     11.91418303      9.68023336    -15.32763889
  H     14.69220568     10.49185924    -14.57299635
  H     12.53912055      8.67334989    -13.74988332
  O     13.00641127     12.87048226    -18.20189565
  H     13.71169733      9.92778273    -15.60704181
  H     16.72093239     11.59434543    -10.95345404
  O     12.77922381      8.51325728    -12.82922373
  H     17.43276118      9.65302077    -12.24095709
  H     17.04995862     12.05045011    -12.42542921
  O     17.03195813     11.29380061    -11.82017382
  H     18.29611591      8.37073437    -12.17103999
  H     10.40616342     12.29398365    -16.53598187
  O     10.27046775     12.99195138    -15.88392813
  H     13.02609119     10.33523048     -9.30115695
  H     10.36753383     12.56652164    -15.02117030
          69
 Energy    -249.58117873317394     
  O     14.06403736      6.34836544    -13.71250986
  H     13.87880752      6.27207576    -14.65950859
  H     18.14098367      4.56412409    -12.82371217
  O     16.54973051      6.14310784    -10.04826059
  H     13.48861910      7.04059518    -13.36273249
  H     19.98068055     11.24113745    -13.38821589
  O     18.80650454      7.91241272    -13.61299353
  H     16.10924896      5.60077252    -10.71939479
  H     18.74553521     10.88811604    -12.52865122
  O     12.64362772      9.21274805    -15.53832185
  H     15.93304553      6.21118083     -9.30864188
  H     15.47968596      7.48871194    -13.63971834
  O     12.84546566      8.47386217     -9.17313071
  H     17.83743497      7.96424865    -13.60520304
  H     15.87256062      8.83928445    -14.29035746
  O     12.49333365      8.52435664    -12.86971720
  H     19.10643003      8.82714723    -13.57134657
  H     15.76107471     12.17754608    -13.02812469
  O     16.36663399      8.76293770    -10.90453478
  H     12.52550258      9.00346754    -14.59665996
  H     15.15024518     13.33734180    -12.20971638
  O     16.22933271      7.31853883    -17.19303963
  H     11.87477320      9.71006366    -15.80620911
  H     13.78098552      4.68762845    -10.86677659
  O     11.26278048      6.88503275    -10.98268650
  H     13.18587230      9.17908532     -9.73803709
  H     13.52712811      5.35983464     -9.50255381
  O     17.87027984      6.01403003    -15.47199347
  H     12.18798603      8.00845470     -9.70445477
  H     18.20006535      5.97080975    -11.04704314
  O     13.58338602      6.60757412    -16.39602536
  H     13.02307655      9.11987181    -12.31966223
  H     18.92999271      6.57363880    -12.28181749
  O     17.65344783      3.97979960    -13.43347827
  H     11.94643425      7.99689818    -12.27248228
  H     16.02620082      4.23380070    -12.50237837
  O     19.18234641     10.71912773    -13.38303518
  H     16.29333749      8.62995604    -11.86269095
  H     14.80981741      5.17554049    -12.64294100
  O     16.08158713      8.24006729    -13.56437523
  H     16.47313312      7.88635118    -10.51696261
  H     13.91452986      7.24138550     -8.50083647
  O     15.32489314     12.40014574    -12.18596912
  H     16.80528797      6.82556967    -16.58173179
  H     14.36943343      6.42863773     -7.26690181
  O     13.08104022      5.00042459    -10.27952868
  H     16.59887899      7.20320359    -18.06468529
  H     17.55165017     11.36291877    -14.22744478
  O     18.81534768      5.76660774    -11.76198139
  H     11.88160399      6.15793160    -10.78764099
  H     16.27283697     11.08279610    -15.05894398
  O     15.27741707      4.59981053    -12.01742318
  H     10.38396804      6.53526596    -10.86313599
  H     14.31407945     10.97651658    -11.48961621
  O     14.43268085      6.46744037     -8.21753397
  H     18.38175003      6.64409699    -14.94662752
  H     14.80790652      9.61157953    -10.97647157
  O     16.67516790     11.70554973    -14.43938416
  H     17.72352088      5.25476872    -14.89656960
  H     17.36742512     10.30188334    -10.88932349
  O     14.00500439     10.12190214    -11.16648806
  H     13.16775920      7.46994603    -16.27310275
  H     16.97232466     11.71430595    -11.33661217
  O     17.73603134     11.16647707    -11.12220604
  H     14.45773391      6.78164799    -16.76874867
  H     15.72817787      8.93043258    -16.41038811
  O     15.41209718      9.66962367    -15.87320336
  H     18.14331628      3.16271477    -13.47933623
  H     14.44964409      9.60036850    -15.82427535
          69
 Energy    -249.58056414722159     
  O     -0.09977812      3.36263459     -1.66526617
  H      0.73559655      2.95779081     -1.92171103
  H     -1.70248329      0.36942561      2.82611453
  O      4.60203274     -0.32302783      1.46193646
  H      0.03964128      3.73397239     -0.78242084
  H      0.05113111     -1.26602871      2.58244766
  O      0.93988301      1.30165819      0.91870188
  H      3.89540152     -0.91003509      1.13607199
  H      0.32879856      0.19837952      2.14473474
  O     -2.65220270      2.46917510     -1.26815047
  H      5.41642015     -0.81481806      1.40028521
  H      2.17593973     -1.37129594     -0.28985456
  O     -2.65891459      3.26395589      1.44016008
  H      1.88208065      1.47528998      0.80252187
  H      1.91162813     -2.26539080      0.93587912
  O      1.10093899     -0.26239819     -1.38014800
  H      0.50535646      2.16377174      0.91481981
  H      4.14714191      0.57972251      3.08910930
  O     -2.86384250     -0.09287080      0.04269779
  H     -1.74591758      2.74120191     -1.49350485
  H      4.04231491      2.07283130      3.43471556
  O      2.46140060      2.11726403     -2.22374248
  H     -3.19580807      2.68131902     -2.02270112
  H     -2.90982100      4.13915402      3.07721573
  O      3.61055028      2.01639964      0.31242418
  H     -2.81585032      3.08405842      0.50516850
  H     -3.13956502      3.53915426      4.47642857
  O     -0.96897061     -2.00486497     -0.53476466
  H     -2.62068270      2.40264887      1.88458011
  H      1.24880449      2.99776619      3.88085529
  O     -0.57751679      5.14047767      5.18403340
  H      0.84565932      0.23928399     -0.59012093
  H      0.72873968      4.44265831      4.11455094
  O     -2.55503806      0.81823160      2.73512840
  H      1.54956104      0.38155197     -1.93674197
  H      0.80156319      0.67431262      4.09389004
  O     -0.03895156     -0.34680223      2.85915090
  H     -2.80331109      0.73368266     -0.45036797
  H      2.21995497      1.19513464      4.46109636
  O      2.61133911     -1.81049311      0.45236743
  H     -2.90069862      0.15053798      0.97575449
  H     -2.29083457      1.96189971      5.69606405
  O      3.90429123      1.18978916      3.79627103
  H      2.93033483      2.12979774     -1.37327722
  H     -3.73493053      1.49771048      6.00478710
  O     -2.89026674      4.35236552      4.01938477
  H      3.08703726      2.40514087     -2.88405833
  H      0.03023128      1.99253056      5.81176946
  O      1.29846099      3.90667173      3.54829069
  H      3.72852228      2.70676338      0.97808825
  H     -0.59438399      3.38268176      6.05466653
  O      1.27514544      1.33588795      4.61678076
  H      4.05886847      1.22405517      0.63990918
  H      0.44712235      4.01175875      1.92141981
  O     -3.16692466      1.80056949      5.30167911
  H     -1.70134095     -1.39409515     -0.36017328
  H     -0.94517479      3.79179832      1.26054042
  O     -0.70655562      2.44452798      6.24663628
  H     -0.32326378     -1.50517047     -1.04827707
  H      0.02403382     -3.76781293      1.90004063
  O     -0.00309482      3.91640018      1.07316890
  H     -1.42110518      4.93104478      4.74299216
  H     -0.22978785     -2.63016416      0.87954175
  O      0.27139732     -2.87418948      1.68109211
  H     -0.70550081      5.96499644      5.64468137
  H      4.33183478      4.56606053      2.68453134
  O      3.82091689      3.78546800      2.48577473
  H     -2.84567714      1.05199711      3.62507465
  H      2.93790758      3.92474294      2.86820796
          69
 Energy    -249.58015889900787     
  O     -2.91568434      3.89129068      3.85793412
  H     -2.83231924      4.00757809      2.90251224
  H     -4.71169311     -1.89809769      4.07141608
  O      0.12312793      3.62069660      1.02350186
  H     -3.13311507      2.95846113      4.00399226
  H     -3.74406227      1.76322148     -1.17327896
  O     -0.82817902      0.65543687      3.26048033
  H      0.91475335      3.86089694      0.54806464
  H     -3.73422453      1.63961432      0.36122628
  O     -3.68551433     -1.40450160     -1.06467639
  H     -0.07676406      2.70039614      0.78292201
  H     -7.15433661      3.08926333      2.02859049
  O     -1.17860329     -1.63509896     -0.09454697
  H     -0.45573676      1.47092815      3.62434054
  H     -6.20990974      3.83975176      1.05575100
  O     -4.74774761      1.03406447      1.64144809
  H     -0.82769491      0.76993937      2.30092946
  H     -4.62414532      4.62771394      4.08542517
  O     -7.62459843      3.22209373      3.83256907
  H     -4.32790138     -1.58482631     -0.36194576
  H     -5.47767242      5.27476994      2.99391564
  O     -8.14861595     -0.77321609      1.26708161
  H     -4.06908351     -0.69214372     -1.58626133
  H     -2.89783328      3.56183708      0.45815455
  O     -3.44252154      1.16569399      4.01850185
  H     -2.07338698     -1.57362162     -0.47646978
  H     -1.66439621      4.29549479      1.01698546
  O     -4.97103131      0.87800446     -2.27903936
  H     -0.73596793     -2.34859609     -0.54619618
  H     -5.22154582      6.19504105      0.54367737
  O     -5.47637826     -1.58143836      1.01938266
  H     -5.50209835      1.62562779      1.52767496
  H     -4.22308405      5.12322298      1.03309045
  O     -4.45082692     -2.47642053      3.34727980
  H     -5.02081941      0.13289405      1.42076650
  H     -4.59204722      0.15973674      4.90919279
  O     -3.26360306      2.04317819     -0.38640945
  H     -6.86385863      3.81480819      3.96669860
  H     -5.18084279     -0.49604068      6.17910946
  O     -6.70841832      3.02203709      1.17451830
  H     -8.37712625      3.65252066      4.23059854
  H     -0.99231891      3.61086273      4.06161822
  O     -5.52154607      4.93174522      3.89429599
  H     -8.95640295     -1.26880889      1.37109142
  H      0.09593961      3.49936200      2.98207914
  O     -2.62861714      4.30720583      1.01767621
  H     -7.96032723     -0.36169315      2.13004978
  H     -7.55803549      1.32931045      3.79551327
  O     -5.15086137      5.40778256      1.07801791
  H     -3.91886759      1.10897624      3.17458823
  H     -6.80071663      0.04755702      4.20560596
  O     -5.28708301     -0.43849821      5.23282800
  H     -2.52976216      0.90123416      3.84017759
  H     -1.35957600     -1.16790483      3.07703105
  O     -0.10889461      3.25815497      3.89353920
  H     -5.22505993      0.94937026     -3.19511357
  H     -1.59145486     -1.95720236      1.78371372
  O     -7.51144363      0.37828422      3.64242647
  H     -5.79463772      0.90895798     -1.75996276
  H     -0.76361864      0.13081990      0.21753495
  O     -1.79099589     -1.95690822      2.72692889
  H     -6.43344179     -1.48479878      1.07252604
  H     -1.63705833      1.39329273      0.08008761
  O     -0.79689925      1.07116027      0.43765279
  H     -5.16180982     -1.99743640      1.83860375
  H     -7.14505765      1.84369708     -0.18427153
  O     -7.21986312      1.06045598     -0.74664269
  H     -3.49957529     -2.34716643      3.20889016
  H     -7.60475930      0.38115003     -0.18050644
          69
 Energy    -249.58011280795205     
  O     10.86089570     10.68668256    -11.33191363
  H     10.32081874     10.33989393    -12.05346830
  H     15.75122447     12.07959864    -14.62032757
  O     13.43350276      7.59610452    -14.93495714
  H     11.64742120     11.06171873    -11.74786387
  H     15.38319473      9.06909339    -12.73150734
  O     17.72724484      9.97148180    -11.07453417
  H     13.90202991      7.20469526    -15.68405085
  H     15.98524094      9.44141225    -14.10611985
  O     11.89952070      9.84823281    -14.87539731
  H     14.11947798      8.06130573    -14.43010386
  H     10.62331937      8.76661624     -8.80568544
  O     15.81461229      5.94152831    -10.32979564
  H     17.90977548      9.10106173    -10.69766743
  H     11.00757496      9.39195611    -10.16889942
  O     12.85507972      6.12429565    -12.68150121
  H     16.76845239     10.08453284    -11.02867244
  H     19.09187452      8.05449751    -13.28356195
  O     14.93155309      9.93374293    -11.20515246
  H     11.02551681      9.67800316    -14.50484334
  H     18.30555116      6.73949632    -13.50046739
  O     15.98976215      9.59461722    -17.32009804
  H     12.34673181      8.99130654    -14.95241835
  H     11.10494641      6.63775572    -12.23981994
  O     15.18641761      4.52285563    -12.53043559
  H     16.64321024      6.43392660    -10.28447992
  H     10.48326879      7.48275615    -11.10730286
  O     16.91888286     10.78601254    -14.97249371
  H     15.09719246      6.57097576    -10.18093909
  H     18.59461035     10.05611923    -12.57215499
  O     15.36578060      6.81229640    -16.72709693
  H     12.97159624      6.59011201    -13.52242525
  H     19.92188663     10.41921442    -13.28281588
  O     15.00823596     12.69669824    -14.50617319
  H     13.54660569      5.45251681    -12.64944667
  H     16.30334508      7.11570139    -13.95797021
  O     15.55434293      8.73002118    -13.61848231
  H     14.45364212      9.17648116    -10.83777669
  H     16.19239550      5.58834161    -13.73109189
  O     11.07168824      8.58480397     -9.62682103
  H     14.29163214     10.47381933    -11.68901612
  H     19.02826609      6.98088594     -9.81194794
  O     19.02083081      7.13999501    -12.98675496
  H     16.16783750      9.74791610    -18.24496414
  H     18.60240237      7.15894886    -11.28907853
  O     10.30703768      7.11887136    -11.98364356
  H     15.16133701     10.06554175    -17.11506903
  H     13.04578414     10.65826802    -16.11038152
  O     19.07228267     10.00856546    -13.42176883
  H     15.29081742      3.58618503    -12.38677558
  H     14.12363100     11.74369113    -15.96819367
  O     16.67217799      6.26101386    -14.23006341
  H     15.45724095      4.96869750    -11.70628023
  H     12.75379997      7.93982068    -10.01858389
  O     18.31260211      7.28041210    -10.36695705
  H     16.81698080     10.35090789    -15.83008053
  H     13.32284465      7.15899751    -11.22997519
  O     13.81052165     11.04638300    -16.55596859
  H     17.75356807     10.51974856    -14.56390919
  H     13.75653717     11.92736954    -13.32472522
  O     13.57544626      7.65583889    -10.43828188
  H     15.93554618      6.51871678    -16.00328117
  H     12.73740716     10.79028037    -13.53992771
  O     13.16165228     11.32967302    -12.85636589
  H     15.65787790      7.70263486    -16.95736369
  H      8.63073331      9.19928500    -13.70120414
  O      9.54941115      9.26885907    -13.45640718
  H     15.37549931     13.57676682    -14.52485199
  H      9.77823591      8.44759795    -12.98479533
          69
 Energy    -249.57985385828016     
  O     16.44413032      4.69096796    -12.77953424
  H     16.35551115      4.74399024    -13.74240091
  H     19.41677598      4.89820330    -11.80913359
  O     17.36678315     13.52522876    -11.24501564
  H     15.59707880      4.99073880    -12.43110686
  H     17.45841127      9.19350421    -17.61659886
  O     19.18700768      8.90615992    -15.13474343
  H     17.15653745     14.43357095    -11.44674194
  H     18.07721751     10.51812225    -18.12925000
  O     14.30692346      6.62406999    -16.95638021
  H     17.13778107     13.00512343    -12.03312609
  H     17.56994576      8.13643921    -14.61407177
  O     18.50464936      9.97742680     -9.01010772
  H     18.84020467      9.42282300    -15.87168836
  H     16.51152694      7.00309221    -14.73449771
  O     15.68071027      8.13075801    -11.82619646
  H     19.27157480      9.48005890    -14.35952120
  H     14.02503223     10.20869966    -14.57945723
  O     16.83597527     11.72351555    -13.27922112
  H     13.59572780      6.38538504    -17.54480356
  H     13.62406206     10.24671305    -13.09512627
  O     19.77790638      6.22231452    -14.91322845
  H     13.89134679      6.88456834    -16.11325893
  H     17.34116111      8.08174427    -11.19198538
  O     14.00877340      5.99077991    -12.02467038
  H     18.80207487      9.59999126     -8.18559332
  H     18.62822651      7.24159687    -11.36521271
  O     18.47327742      5.40429588    -17.12277142
  H     18.46957951      9.24954915     -9.65162279
  H     13.42198201      6.73098511    -13.74696128
  O     16.22923425      5.26119911    -15.47222717
  H     15.31014557      9.01631255    -11.71200141
  H     13.19277937      8.15523395    -14.31579148
  O     18.92955283      5.61171918    -12.21443442
  H     15.99079961      8.05043022    -12.74259614
  H     19.01899896     12.62879595    -10.81786047
  O     17.80414750     10.06225454    -17.33813671
  H     17.61391922     11.17676337    -13.09621307
  H     19.39207574     11.36607159    -10.01839598
  O     16.66967637      7.88276103    -14.37341137
  H     16.44537398     11.38099234    -14.09351442
  H     19.47488741     10.83944272    -12.10324348
  O     13.34077694      9.92500901    -13.95942849
  H     19.53250689      6.01456869    -14.00481276
  H     18.84742724      9.42317174    -12.17085109
  O     18.29506912      8.07809795    -11.01841741
  H     19.73904675      7.18664464    -14.99557370
  H     16.91192440     11.06270112     -9.19012135
  O     13.25474415      7.21945654    -14.55890880
  H     13.39364812      5.90802653    -11.30015203
  H     16.55491797     12.38103849     -9.89623903
  O     19.70809967     11.96076644    -10.71113698
  H     14.55746483      6.77260258    -11.83811961
  H     17.41863601      6.87284957    -17.74533938
  O     19.09114660     10.18843785    -12.70841958
  H     18.99703772      4.79443947    -17.63460296
  H     15.95203752      7.35530994    -17.64017513
  O     16.17063306     11.63839854     -9.41310286
  H     19.01182516      5.66272650    -16.35234804
  H     15.08449126     11.00429650    -10.73954679
  O     16.83391070      7.61782933    -17.93161040
  H     16.99024689      5.17161986    -16.06031261
  H     15.45120298     11.10083149    -12.22646075
  O     14.79877525     10.72275651    -11.62024688
  H     15.49009365      5.57008074    -16.01205225
  H     15.93146511      9.43107491    -15.05991838
  O     15.75734624     10.31596474    -15.41555899
  H     18.03128325      5.27272262    -12.38166753
  H     16.34716717     10.40303567    -16.17340410
          69
 Energy    -249.57908476722091     
  O     15.19128833      9.87683623    -12.11553802
  H     15.85779119      9.78520932    -11.42017276
  H     11.33783097      6.84250386     -9.11121395
  O     16.55588287      4.91778091    -11.29514130
  H     14.42762367     10.31318358    -11.70832951
  H     15.30403558      8.68032535     -5.74715036
  O     13.93221924      5.71538111    -10.86529748
  H     16.63403408      4.78344035    -12.24810389
  H     16.28823266      7.56667782     -6.14267368
  O     18.45497164      7.21619263    -13.58723001
  H     17.13526595      5.66163366    -11.07236313
  H     12.53399858      8.08262156    -12.47411133
  O     16.23352233      3.64799205     -8.83814149
  H     14.80991852      5.36673940    -11.07114097
  H     14.04614002      8.43835060    -12.44142358
  O     16.56905139      9.24054692    -14.40923265
  H     13.69724858      6.35775818    -11.55034738
  H     18.47773973      7.14688266    -11.79077884
  O     18.08826940      9.75210143     -7.49182223
  H     17.89796061      7.94260110    -13.89392472
  H     17.81565607      7.91370207    -10.61714073
  O     16.32184722      5.88950401     -7.24612512
  H     18.00173505      6.40639518    -13.85086146
  H     16.84418409      4.28350552    -14.79479591
  O     16.87378069      9.36167621     -9.99695529
  H     16.68401546      2.80737784     -8.79815121
  H     16.08049707      5.56132903    -14.37215305
  O     15.01959956      7.57755701     -9.10454876
  H     16.38923519      3.99202792     -9.73171132
  H     13.38557798      7.69937988     -5.81765972
  O     13.08043463      9.37324116     -8.27109229
  H     16.74338460     10.01663317    -14.93591922
  H     12.91789252      8.72132657     -4.75330022
  O     11.06042101      7.73647897     -9.33933394
  H     16.08272129      9.54263684    -13.62376180
  H     11.86970912      4.30992471     -8.83027232
  O     16.23484447      8.50526132     -5.93095759
  H     17.40978980      9.39742822     -6.88996626
  H     12.83851866      5.28181627     -9.53827368
  O     13.41718207      7.73351011    -12.65017671
  H     18.58705845     10.39475209     -6.99478815
  H     12.19542049     10.22344785    -11.17163965
  O     18.24501299      7.08024053    -10.85336823
  H     16.24618847      5.04132852     -7.70733130
  H     12.98770358     10.41389089     -9.86792247
  O     16.75293401      4.91613657    -14.08753296
  H     17.20716430      6.22653341     -7.46192197
  H     14.50234321      5.85087084     -6.56020023
  O     13.40898742      8.64093229     -5.56644433
  H     16.18735073      8.75431574     -9.67481807
  H     13.09179730      5.74511412     -7.17358212
  O     12.24365577      5.18615967     -8.77526832
  H     17.33520856      9.67859290     -9.21162215
  H     10.09532136      8.96248713    -12.10847422
  O     12.94190606     10.70015658    -10.78998689
  H     15.44850944      7.03572369     -8.43073235
  H     10.93154016      8.39672547    -10.93385834
  O     13.57419868      6.05601947     -6.39712185
  H     14.62160260      6.97282941     -9.74231793
  H     18.67147088      7.91849945     -7.86978377
  O     10.98898546      8.82284884    -11.80865458
  H     13.77695774      8.76836856     -8.56863981
  H     18.69584818      6.91025797     -9.03715417
  O     18.67347632      6.97556733     -8.07245928
  H     13.09986936      9.32963450     -7.30835853
  H     15.54611343      7.68666175    -14.83387474
  O     15.02212482      6.87723162    -14.77841647
  H     11.67425143      8.33145582     -8.88626410
  H     14.32524957      7.07471258    -14.13864276
          69
 Energy    -249.57901497564563     
  O      2.49740267      1.31661295     -0.36931513
  H      1.74877700      0.75821885     -0.63177720
  H     -1.28855932     -1.91965844      0.78340548
  O      3.70595133     -1.75189685     -3.20837842
  H      2.96004438      0.84782093      0.33415787
  H      3.45900287      0.14719160     -3.19027017
  O     -2.03640828     -3.28720389     -0.22203209
  H      3.86605881     -1.93115101     -2.26335656
  H      3.17213036      1.19502020     -2.09450893
  O      0.89268468      3.47199129     -1.17653354
  H      4.43441146     -2.13478603     -3.68965726
  H      1.48490690     -4.31710574     -0.22699199
  O      1.34668679      2.74083848     -3.93271911
  H     -2.45658978     -2.62349610     -0.78778918
  H      2.33667432     -5.06870144      0.81823890
  O     -2.89707963      0.56861627     -0.10124040
  H     -2.53492720     -4.10429513     -0.36404143
  H     -2.75192360     -5.74475510     -1.89183317
  O      0.95691077     -2.21540074     -3.07139973
  H      1.49996096      2.85785500     -0.74197971
  H     -4.03213731     -4.90484747     -1.75272022
  O      3.70601616     -0.36094173      1.52766323
  H      1.09231454      3.40462227     -2.11824809
  H     -2.24179213     -2.90314969     -4.49409448
  O     -1.78338207      3.01503498     -1.07280705
  H      2.06942136      2.13163333     -3.69540029
  H     -3.46675779     -3.73213491     -4.05478377
  O     -4.87725215     -3.50114630     -2.78128351
  H      1.65529871      3.25974302     -4.67020187
  H     -0.60409366     -1.60560727     -3.78755553
  O      3.98583074     -2.26668943     -0.58374230
  H     -2.26648240      0.13992292      0.49106461
  H     -1.38950791     -0.28111172     -3.92613236
  O     -0.85404508     -1.09323382      1.03728510
  H     -2.52479840      1.42884126     -0.32791326
  H     -0.20526924     -4.95939980     -2.07103937
  O      3.28238533      1.08344721     -3.04961520
  H      1.90715525     -2.12970799     -3.21792117
  H     -0.54175484     -3.92066057     -0.97446831
  O      2.17102836     -4.20365553      0.45066774
  H      0.79324310     -3.01294478     -2.55019247
  H      0.64766926     -0.91185846     -1.84349646
  O     -3.40923762     -5.44764596     -1.25135571
  H      2.93596842     -0.88047023      1.82392622
  H     -0.15823870      0.40026324     -1.86411671
  O     -2.60831409     -3.79677618     -4.49221292
  H      4.24057070     -0.19465878      2.29899063
  H     -1.73635015     -5.11158713     -3.75538502
  O     -1.47233309     -1.24064489     -4.01335644
  H     -0.83362120      3.21844692     -1.00615560
  H     -1.22105881     -6.56697416     -3.84701993
  O      0.19413716     -4.33937920     -1.44723715
  H     -2.24754598      3.84059555     -0.96046608
  H     -1.44316127      1.98192754     -2.62153881
  O      0.35752812     -0.17658675     -1.28793390
  H     -4.42983601     -2.71453226     -2.42291403
  H     -0.23145245      1.86041224     -3.58580102
  O     -1.31440273     -5.82999489     -3.24967766
  H     -5.79883331     -3.27423317     -2.87272529
  H      0.70898449     -1.60461904      1.88853055
  O     -1.00928501      1.39236448     -3.25095639
  H      4.01164350     -1.58687334      0.10013501
  H      1.71597714     -2.74895599      1.63683730
  O      1.59154631     -1.92398839      2.12050631
  H      3.43124598     -2.97544839     -0.23468732
  H     -2.67172159     -1.33106142     -2.61386253
  O     -3.30649115     -1.45078231     -1.89510469
  H     -0.41890980     -0.75866057      0.23714873
  H     -3.25746507     -0.68111631     -1.30922251
          69
 Ord_Energy   -249.578918    
 O    1.02645206       2.51798153       2.78900790    
 H   0.863788486       2.37391424       1.84696734    
 H    1.56035876       3.32240200       2.83955812    
 O    5.55402660      0.914982736       1.01850080    
 H    6.02935839      0.888277292      0.179301962    
 H    4.89096832      0.205459416       1.01219714    
 O    6.58241463       1.21208680      -1.53465986    
 H    7.13285065      0.828978777      -2.22788453    
 H    6.84014606       2.14316916      -1.46336877    
 O    8.71970844       3.22068501      -3.73757815    
 H    8.10012817       3.63747668      -4.35000706    
 H    8.45362663       3.51788044      -2.85722804    
 O    3.93494463       3.08305836      0.471871942    
 H    4.43937254       2.29768419      0.728990853    
 H    3.57102776       3.51529217       1.25827551    
 O    4.84329605       6.68587112     -0.554130018    
 H    5.42359686       6.19428587       4.13058214E-02
 H    5.08784628       6.41263676      -1.44680214    
 O    2.37582326       6.56865788      0.569344759    
 H    3.23658371       6.65439701      0.122013077    
 H    2.01565719       7.44940996      0.639388859    
 O    5.04059124       1.87300873       3.57011771    
 H    4.21475601       1.39099848       3.69602156    
 H    5.42724133       1.50672066       2.76244187    
 O    8.09292603      0.577032089      -3.82276201    
 H    8.43252563       1.49059904      -3.82352781    
 H    8.81677723       1.09655000E-02  -4.07530689    
 O    1.22195709       2.20501375       9.23561957E-03
 H    1.26674116       1.37647462     -0.483044684    
 H    2.14379096       2.45747995      0.152514309    
 O    3.43007970     -0.762667716       1.08875251    
 H    3.00304079     -0.430457652       1.88924158    
 H    2.82866693     -0.616470218      0.349950820    
 O    6.50546885       4.14058256      -5.32430267    
 H    6.14432764       3.23837209      -5.26187420    
 H    6.46183825       4.39119244      -6.24333096    
 O    1.97520494     -0.150039941      -1.33878303    
 H    1.55219293     -0.798356295      -1.89640892    
 H    2.69856334      0.235669225      -1.86111438    
 O    7.31788206       3.89496946      -1.36814523    
 H    6.72266340       4.42024899      -1.92399669    
 H    7.19674444       4.21434784     -0.466463715    
 O    2.86409879       4.62222004       2.51482034    
 H    3.67057610       4.78337669       3.02025032    
 H    2.69285703       5.38129663       1.94022286    
 O    2.55833936      0.424067229       3.55072212    
 H    2.15971684      -4.81585599E-02   4.27719498    
 H    1.95737028       1.15703177       3.32956433    
 O    4.01571274       1.14190722      -2.68143988    
 H    4.87792158       1.10044730      -2.24362278    
 H    3.72219729       2.06388354      -2.62536955    
 O    6.18680763       4.76616287       1.03829503    
 H    5.46777582       4.18755579      0.749527395    
 H    6.11692524       4.79197073       1.99964476    
 O    5.67105770       1.56236994      -5.00154257    
 H    4.98901606       1.35218573      -4.35302210    
 H    6.46437931       1.09525168      -4.70941782    
 O    1.01359737       4.75908232      -1.26784515    
 H    1.36160731       5.37617731     -0.612512350    
 H   0.850368917       3.92685366     -0.804168522    
 O    3.40435910       3.77422285      -2.16217303    
 H    3.69429541       3.58660436      -1.25707555    
 H    2.52408385       4.16532040      -2.07297349    
 O    5.52382135       5.30821371      -2.95577574    
 H    4.72361326       4.78805113      -2.78045344    
 H    5.83391380       5.05222988      -3.83272600    
 O    5.40093756       4.53839207       3.74965286    
 H    5.30517244       3.56718755       3.75673914    
 H    5.77108145       4.78610611       4.59213352    
          69
 Energy    -249.57796573675537     
  O     11.45991014      9.79668713     -9.89135128
  H     11.05648631     10.59946161     -9.57201114
  H     13.73825451      3.24727664    -11.99561512
  O     10.81506928      3.78178740    -10.37614855
  H     11.42393057      9.83131468    -10.86560191
  H     15.19101691      6.85733776    -14.20759721
  O     16.59451846      5.86425493    -13.64122897
  H     10.17436910      4.33774708    -10.83630636
  H     14.37293951      8.15152353    -13.90806930
  O     15.50133177      2.96332349    -11.80598108
  H     11.47843806      3.53018737    -11.03255890
  H     13.51067443      6.57967554    -12.90544410
  O     16.91523290      9.69922729    -10.12318054
  H     16.43364405      5.01471593    -14.06826362
  H     12.05979943      6.65071695    -12.40945517
  O     11.88761574      5.22201347     -8.33721655
  H     16.49725947      5.72469919    -12.68722090
  H     10.83554921      6.67707842     -9.04140882
  O     14.37683865      9.57363423    -12.79139434
  H     15.77858105      2.97419950    -12.72931548
  H     10.67392031      8.10761553     -9.62339105
  O     12.06339815      5.99708651    -15.37774177
  H     15.91806635      3.73113958    -11.39163591
  H     17.78986441      7.28672015    -13.42496020
  O     18.36429191      7.41229319    -10.25538059
  H     16.98315654     10.10900979    -10.99409557
  H     18.47545279      7.79098016    -12.14471008
  O     15.84351404      3.35079189    -14.68240154
  H     15.97004124      9.57437319     -9.96075507
  H     13.41590346      5.93411728     -9.11820829
  O     13.05298009      3.25780622    -14.97570991
  H     11.74870347      4.78797659     -7.49995642
  H     13.61675316      6.35227811    -10.59491692
  O     12.85796839      3.54059796    -12.27520358
  H     11.51480499      4.63725267     -9.02193636
  H     17.13580237      6.05968958    -10.59314213
  O     14.34276767      7.29560923    -14.35909925
  H     14.31382532      9.35886250    -11.85003899
  H     15.62652307      5.75642580    -10.39523489
  O     12.93121619      6.30306098    -12.18348786
  H     15.24199645      9.98345286    -12.91607656
  H     17.51223034      9.59854030    -13.03998816
  O     10.25722046      7.23944674     -9.57013069
  H     12.86250606      6.51409235    -15.19731581
  H     17.53382627     11.11082584    -13.36837181
  O     18.28701339      8.03082224    -13.06061959
  H     12.34709085      5.07786419    -15.35670539
  H      9.44250145      6.35013555    -10.81452006
  O     14.04561425      6.34390464     -9.72239600
  H     19.08936656      7.43904678     -9.63701753
  H      8.13535054      5.75876897    -11.39577869
  O     16.41821467      5.48006911    -10.87814508
  H     17.85396978      8.23231820    -10.12633935
  H     13.28783959      9.40598005     -9.85063727
  O     17.04269545     10.44079432    -12.90105818
  H     14.89312916      3.33112767    -14.87475678
  H     14.18632813      8.14510090     -9.80747463
  O      9.08154262      5.77473355    -11.51527256
  H     16.26752474      2.80562080    -15.34124628
  H     12.46127630      9.78770185    -12.84128737
  O     14.18674074      9.09196893    -10.00682501
  H     12.48799140      2.57125517    -15.32233734
  H     11.15382118      8.95392155    -12.95176089
  O     11.53241439      9.76305726    -12.58035595
  H     12.88924465      3.29665462    -14.01677694
  H      9.96917919      6.68359090    -12.91384060
  O     10.60251362      7.24413823    -13.37772706
  H     12.85774270      4.50905087    -12.23993163
  H     10.95305716      6.76563205    -14.14475927
          69
 Energy    -249.57770435784278     
  O     13.56275609      9.49518555    -10.90273305
  H     13.52631198     10.05483661    -11.69054195
  H     18.89585433      4.66982386    -10.83184465
  O     13.85202476      9.91750707    -16.81456242
  H     14.01875830      9.98267607    -10.20502706
  H     12.14368937      6.72833892    -11.23473067
  O     16.55139296     10.71119272    -13.27830250
  H     13.70550660     10.81240867    -16.48188337
  H     12.63998056      7.97769168    -10.48301367
  O     14.07520613      4.43093360    -13.00309104
  H     13.34609226      9.33754571    -16.23344054
  H     14.75105801     12.50116151    -15.58765696
  O     15.87785808      8.11258137     -8.25155231
  H     16.85211724     10.82930352    -12.36603650
  H     13.46970177     13.35707627    -15.74288861
  O     16.47390864     12.20723471    -15.63217240
  H     15.58923612     10.63697453    -13.25998070
  H     12.31967497      7.69159778    -14.12459359
  O     15.41271018      7.63726300    -11.92138174
  H     14.57688848      4.51105776    -12.18167480
  H     13.68945310      7.95077278    -14.75691953
  O     13.69562146     10.65624358    -13.38309855
  H     14.73736044      4.35754262    -13.70074853
  H     16.74439493      9.68512661    -18.12653552
  O     17.29254620     10.79920705    -10.64477399
  H     15.29083545      7.35136244     -8.32477070
  H     15.60261752      9.75586706    -17.08875957
  O     18.27968107      5.97401831    -14.01210547
  H     16.58617120      7.98566721     -8.89701781
  H     11.14986311      5.59683860    -13.21531483
  O     16.14410014      4.60647362    -14.95486404
  H     16.64202535     11.49707625    -16.26289519
  H     12.68276180      5.51646530    -13.06271988
  O     18.38101965      5.38282951    -11.20142277
  H     16.64435222     11.81981265    -14.76092255
  H     13.57634358      5.50774072     -7.89052486
  O     12.34775432      7.06391798    -10.35440852
  H     14.74168048      8.25145968    -11.59757039
  H     13.40125084      6.30015553     -9.20815860
  O     13.77844747     12.48125496    -15.52949375
  H     15.29715570      7.52096673    -12.87130159
  H     15.16831281      5.22164591     -9.94430350
  O     12.80542295      8.34018057    -14.64530045
  H     13.32787861      9.86982251    -13.81336515
  H     15.53432961      6.02207231    -11.20586113
  O     16.56995906      9.78458188    -17.19421321
  H     13.62191118     11.37803864    -14.01843191
  H     16.93161814      7.99816413    -11.01813709
  O     11.92418147      6.12599617    -13.03760071
  H     16.57177298     10.89327547    -10.01121453
  H     18.17573244      7.20509488    -10.59100247
  O     14.06104960      5.90633926     -8.60797042
  H     17.64299937      9.90853486    -10.50677644
  H     16.07950247      7.75133560    -14.81248434
  O     15.65594712      5.15943145    -10.77462758
  H     18.41326302      5.87319553    -13.06227144
  H     15.46119016      6.32577400    -14.87969782
  O     17.70163428      8.02668679    -10.42739507
  H     18.23388387      6.91891087    -14.20577516
  H     15.34103991      9.74113711     -8.52259182
  O     15.25811826      7.25221956    -14.70610268
  H     16.96393466      5.01680487    -14.62344810
  H     14.89509856     11.14738538     -8.04985840
  O     15.06361892     10.62435445     -8.82857918
  H     16.38785251      4.07224869    -15.70572607
  H     17.43629645      9.01725622    -15.70078117
  O     17.61541231      8.66633122    -14.81806637
  H     17.44835656      5.18183985    -11.01431993
  H     17.35406926      9.36171934    -14.19528048
          69
 Energy    -249.57748099350337     
  O      7.78408508     -9.09267345      0.61864569
  H      7.41881626     -9.92913476      0.30633458
  H     10.38428874     -9.86028223     -1.08331576
  O      8.18714881    -11.71500762      2.93381074
  H      7.66118983     -9.05741685      1.57586182
  H      8.42128781     -9.15480695     -4.28650257
  O     12.12209606     -9.74294420      4.24341321
  H      8.59932093    -11.85765392      2.06956125
  H      8.35666708     -8.32167357     -2.98570002
  O     10.27930916     -7.92096819      3.18063031
  H      7.25075694    -11.92940835      2.83168824
  H      9.78240998    -12.08427241      3.87633493
  O      4.07587033     -8.59244063     -0.85916567
  H     12.35432021     -9.92257350      3.31321507
  H     11.10559455    -11.39517249      4.29926136
  O      4.40863697     -9.58846547      1.80098643
  H     12.94153655     -9.61659440      4.71454843
  H      7.63353980    -12.07396583     -0.06799425
  O      9.45114107     -5.46753755      1.95977585
  H     10.91418615     -8.44622497      3.68388100
  H      6.23918762    -11.89737295      0.59621703
  O      8.43858795     -6.76009554     -2.24018287
  H     10.42655368     -8.13814768      2.25026031
  H      5.15752564     -7.49822887      4.50622911
  O      7.77110254     -9.03272832      3.44942661
  H      3.25680420     -8.47699215     -1.33292012
  H      6.27108973     -8.14224678      3.64668815
  O      5.45482925    -12.01747709      2.29005460
  H      4.64782489     -9.15176380     -1.41678460
  H      9.54783092     -8.79802739      0.40775793
  O     12.48172677    -10.27313577      1.61096071
  H      4.64453222     -8.84984743      2.37548364
  H     10.60651937     -7.71174370      0.03178683
  O     10.04384693    -10.60095883     -1.59788366
  H      4.25572445     -9.22751601      0.91952379
  H     10.11774513     -5.68771319      0.39310736
  O      8.27563665     -9.22293228     -3.34616788
  H      9.74612855     -6.14685678      2.57587906
  H     11.19635019     -5.31041891     -0.65194499
  O     10.70937219    -12.25086544      4.09410948
  H      8.48392028     -5.44169051      2.01880524
  H      6.19894164     -6.19431542      2.58296374
  O      6.76358507    -11.66598219     -0.17994700
  H      7.64301523     -6.68233607     -1.69466915
  H      6.50299600     -5.94434538      1.09964045
  O      5.43173101     -7.65077132      3.60515105
  H      9.16135733     -6.40999714     -1.70744803
  H     12.29159866    -13.82373297      1.76118023
  O     10.49864438     -8.60298763      0.39101906
  H      7.94220815     -9.98300882      3.39606631
  H     11.42029709    -12.86069468      2.60688899
  O     10.52055995     -5.95303476     -0.45485420
  H      8.62775568     -8.58358447      3.46937561
  H      6.08843547    -10.79372551     -1.62163290
  O      6.69849425     -5.62242346      1.99057064
  H      5.03973469    -11.14492811      2.15729723
  H      6.59345692     -9.80986635     -2.69529145
  O     11.74055794    -13.04796718      1.70605731
  H      4.76172798    -12.61619310      2.55413694
  H      5.47111644     -7.35447073     -0.62944905
  O      5.79378431    -10.12953700     -2.26123143
  H     12.28188735    -11.20669399      1.46930646
  H      6.86968934     -7.69163991     -0.07937700
  O      6.33218614     -6.96677636     -0.43547506
  H     11.85517838     -9.76525053      1.08106827
  H     10.17462770    -12.71039507      0.76922134
  O      9.36742917    -12.31783025      0.41754263
  H      9.43575729    -10.21336584     -2.24026987
  H      9.63284987    -11.76180143     -0.33263225
          69
 Energy    -249.57745140765661     
  O     17.36543485      5.42440486    -16.42746610
  H     17.36137027      6.38824837    -16.37214895
  H     16.89003860     11.90399642    -13.59732601
  O     17.74653311      6.24759577     -9.45952439
  H     16.44547753      5.16589961    -16.56753469
  H     16.46449475     11.46457825    -17.22383695
  O     12.69048503      8.79082578    -11.08949910
  H     17.98247101      6.00217595    -10.36365530
  H     16.82699431     11.28244172    -15.72954437
  O     19.58018765     10.46945736    -12.82521549
  H     17.61666408      7.20663512     -9.46032114
  H     16.83086750      8.53780753    -12.74240514
  O     18.16886899      3.85375330    -14.36240035
  H     12.82925126      9.64454689    -11.51956880
  H     15.31469182      8.26097820    -12.48057215
  O     15.21107922      5.57782301     -8.83708447
  H     13.21508139      8.77473331    -10.28135906
  H     14.77292551      4.25311370    -15.52143459
  O     13.91336783      7.13116288    -12.85678143
  H     20.49380033     10.71947176    -12.71542625
  H     14.06950362      4.09646594    -16.89032383
  O     18.09935235     11.17866056    -10.65599013
  H     19.12062072     10.72196558    -12.00411985
  H     15.14453007      5.13197364    -10.69777831
  O     14.23292843      8.21698609     -8.66746089
  H     17.96510134      4.43357007    -15.11865771
  H     16.18947229      5.31086654    -11.83040165
  O     16.91886330      8.17681751    -15.92903809
  H     18.84371861      3.24730425    -14.65490228
  H     15.88444542     10.59235450    -12.23087621
  O     17.95147268      5.66535945    -12.22587072
  H     16.15637602      5.76755514     -8.98818982
  H     14.80084854     11.66538208    -12.29818954
  O     17.55775848     11.87667234    -14.29731679
  H     15.16999292      4.85782249     -8.21296169
  H     16.00258089      8.83833785     -9.11026240
  O     16.36501851     10.87267202    -16.48349750
  H     14.28264262      6.35853275    -12.40956894
  H     16.58834656      8.84038540    -10.52695903
  O     16.06328421      8.81222167    -12.22497444
  H     13.35073239      7.61810613    -12.23674382
  H     12.26087142     11.66077190    -12.94122507
  O     14.59236823      4.69901375    -16.36852526
  H     17.79743831     10.44989974    -10.09792815
  H     13.31477784     10.76309248    -13.62296878
  O     15.27075801      5.05956709    -11.64971127
  H     17.29608099     11.54172337    -11.05315999
  H     14.27055553      6.48837286    -15.90996902
  O     15.75101962     11.55342571    -12.18907198
  H     13.79024505      8.32831444     -7.82861735
  H     14.09846767      7.25540586    -14.57454924
  O     16.83611905      8.90017527     -9.58987556
  H     14.48213069      7.28095397     -8.72461982
  H     15.17071356      3.94242480    -13.17427864
  O     13.02816591     11.12269453    -12.76370019
  H     16.83813531      9.08722337    -16.23785576
  H     16.30277006      3.48017996    -14.10687970
  O     14.28826883      7.36973817    -15.51995937
  H     16.01316547      7.88009255    -15.75202921
  H     14.67658723     10.49006724    -15.62206183
  O     15.34135379      3.52874909    -14.02975604
  H     18.15691340      6.50130610    -12.66825803
  H     13.87978298      9.20533889    -15.36471752
  O     13.90033745     10.14954160    -15.16271379
  H     18.12379825      4.97237662    -12.87563524
  H     17.95262310      8.12584349    -14.45260918
  O     18.34923950      8.05338190    -13.57189926
  H     18.33679112     11.47129723    -13.90076055
  H     18.86266064      8.85120937    -13.39190707
          69
 Energy    -249.57736716230266     
  O     17.74717252      8.41251880    -13.99791892
  H     16.95422498      8.64447671    -13.48656724
  H     11.46568609      8.47962917    -12.88343214
  O     12.81657687      8.32040340     -9.97179504
  H     17.62408881      7.48721850    -14.24063429
  H     19.57998520      6.20806959    -10.04407438
  O     11.40571849      6.84403794    -11.95651924
  H     12.28095509      7.77940382    -10.56754313
  H     18.37997653      6.91570712     -9.37799317
  O     16.92772913      5.78648264    -14.34852952
  H     12.65524843      9.23487921    -10.23192411
  H     16.02178710      7.77134763    -10.05832744
  O     19.45893663      8.73476286    -11.85968766
  H     10.65482473      6.26455742    -11.85979957
  H     14.44267389      7.63841858    -10.09506338
  O     18.87704840     11.45162578    -12.07421046
  H     12.07660839      6.34934476    -12.46013570
  H     20.30762787      5.77084379    -12.10397288
  O     17.59736586      8.69077598     -9.76187717
  H     16.20131170      5.99493488    -14.94885731
  H     21.73024713      6.03111875    -11.55023957
  O     13.32135111      5.54791545    -13.35780403
  H     16.50976098      5.55564560    -13.50452975
  H     18.52602772      5.03125515    -13.59686343
  O     15.16977158     11.52246918    -14.60210164
  H     18.92037030      8.56042549    -12.64574193
  H     18.74213219      4.27685081    -12.26714130
  O     14.57616826      6.60297676    -15.73199726
  H     20.05660529      7.98509559    -11.75591089
  H     14.78098217      8.79976606    -13.33981799
  O     13.84300039      9.09553732    -14.90642967
  H     18.57611260     11.49338523    -12.98877561
  H     15.25772307      8.23731926    -11.93873768
  O     11.65993879      9.32670547    -13.30476762
  H     19.26133381     10.56941927    -11.96720169
  H     18.54723905     11.16566841    -15.56588634
  O     18.80711503      6.05842709     -9.48424781
  H     18.22974435      8.67373502    -10.49570344
  H     17.96056895     10.07730458    -14.63944893
  O     15.27934563      7.26006280    -10.40587399
  H     17.39761380      9.62361295     -9.62529578
  H     15.21885569     10.51074957    -12.03630662
  O     20.83004023      6.34172495    -11.51180975
  H     14.08520158      5.23886618    -12.85183951
  H     15.71503608     11.58770803    -11.05035284
  O     19.20596913      4.73927915    -12.97762958
  H     13.66576868      5.83907965    -14.20901066
  H     15.52665151      5.81406495    -11.35466082
  O     15.44841519      8.86641816    -12.64470132
  H     16.12147065     11.45218160    -14.74716395
  H     16.31469655      4.49095275    -11.50571665
  O     17.99299986     11.03535561    -14.79989567
  H     15.07046454     11.72560899    -13.66403965
  H     17.83836137     11.59447491    -10.68921024
  O     15.03707097     11.40765195    -11.71152238
  H     14.32662158      7.51846442    -15.51605124
  H     17.51502879     12.21300585     -9.30855855
  O     15.68346168      5.06594821    -11.95260935
  H     14.26069228      6.43732462    -16.61701195
  H     11.98389759     11.73149213    -10.73441718
  O     17.22304210     11.55481723     -9.93374500
  H     12.99378736      9.19480043    -14.44797287
  H     13.33075386     11.19734560    -11.27212775
  O     12.41457340     10.94763139    -11.06572453
  H     14.26284175      9.96691213    -14.94797868
  H     18.11545148      4.58853242    -10.15894379
  O     17.81623552      3.80509552    -10.65463231
  H     11.83315415      9.94465743    -12.58413588
  H     17.90712232      3.05751367    -10.07033341
          69
 Energy    -249.57717069658048     
  O     -2.10584830      5.03652021      3.27338702
  H     -1.56790285      4.59779796      2.60339135
  H     -4.03149921     -3.98664317      1.88064935
  O      1.51864177      0.42091306      0.87219043
  H     -1.81755740      4.67100204      4.12005321
  H     -0.44318999      2.47453816     -0.00847380
  O     -1.33303388     -0.60201731      3.86930382
  H      1.05978353      0.88847511      0.16391811
  H     -0.13297332      2.56393270     -1.51952422
  O     -4.16752716      1.16987719      0.60145273
  H      0.95904837     -0.33816574      1.08714234
  H     -5.22718675      5.58519272      3.45620747
  O     -2.74681576     -2.94328492     -0.94020046
  H     -2.19197781     -1.03257377      3.98627471
  H     -3.86251303      4.90657836      3.20453748
  O     -0.46610193     -1.47748876      1.39201609
  H     -0.94321788     -0.97163329      3.06431915
  H     -5.71590265      3.49865262      2.14055528
  O     -5.44300720      0.25782961      5.17532534
  H     -3.56415305      1.30825542      1.34890647
  H     -6.57788911      2.21334489      2.18440128
  O     -7.27216264      0.75333192      3.25338215
  H     -4.88702196      1.80324519      0.73587989
  H     -1.32822243      2.65460439      2.03558081
  O     -1.48941112      3.66487422      5.72334650
  H     -2.55822917     -1.99584861     -0.96044082
  H      0.18326782      3.01244934      2.07900074
  O     -2.08300309     -0.21052098     -0.54373983
  H     -3.62870180     -3.04356688     -0.55908901
  H     -3.66243179     -2.62180523      3.57931227
  O     -5.59991855     -0.90474394      1.71496027
  H     -1.07360543     -1.05986100      0.76491698
  H     -4.42851363     -1.36814566      3.13609912
  O     -3.37050711     -4.10825584      2.57392803
  H     -0.54548608     -2.43073180      1.26302800
  H      2.61820336      2.58463834      2.90743007
  O     -0.25566743      1.94657240     -0.80263162
  H     -4.89679435      1.05485368      5.22277383
  H      1.73271641      1.54932102      2.17450917
  O     -4.81626256      4.73771980      3.30445947
  H     -4.85808833     -0.47243918      4.93814252
  H     -0.38164402      0.73047546      4.75845949
  O     -6.11729604      2.81716363      1.58808514
  H     -8.16029674      0.67738377      3.59118117
  H      0.69195737      1.75829527      4.33555692
  O     -0.64781311      3.21543399      1.62971587
  H     -6.67137490      0.59202446      4.00379793
  H     -4.40454363      3.36866367      4.50505781
  O     -3.87136655     -1.71420505      3.84541677
  H     -1.17386966      3.99995152      6.55818457
  H     -3.17269982      2.98086308      5.37041077
  O      1.72480331      2.25800477      2.84288720
  H     -0.92559136      2.90285723      5.49717258
  H     -6.01535164     -3.69856147      0.19457593
  O      0.04195152      1.55893531      5.02054182
  H     -1.45227458      0.47954625     -0.78227402
  H     -5.41449208     -2.46351685      0.90298603
  O     -3.97970531      2.63366574      4.96707755
  H     -2.88415389      0.25065852     -0.25568447
  H     -0.60709004     -4.88973069      0.45491667
  O     -5.19215788     -3.30952839      0.47899754
  H     -6.29617022     -0.43879622      2.19343112
  H     -1.64532753     -3.79086928      0.11501412
  O     -1.07519776     -4.14521612      0.82240319
  H     -5.09244583     -0.22592435      1.24732604
  H     -3.09447893      1.96755896      3.48508022
  O     -2.56841725      1.59732716      2.76611186
  H     -2.53141404     -4.20657442      2.10883957
  H     -2.10428006      0.82928462      3.12505870
          69
 Energy    -249.57692522568755     
  O     -2.08123989     -1.83637649     -1.71789597
  H     -1.21433703     -1.94076000     -2.14133361
  H      0.04698898      2.63484853     -6.02800213
  O      0.51046291      1.89956269     -2.59609742
  H     -2.20318514     -0.88320813     -1.64296698
  H     -2.70017240     -0.87656981     -5.35322426
  O      1.88040849     -2.24454097      0.73356977
  H      1.19640925      1.21490585     -2.61022837
  H     -3.40724152     -1.53804513     -6.55967386
  O     -2.38276273      0.60137159     -4.50383889
  H      0.33364959      2.10618568     -3.52134116
  H      1.08574256     -4.55944711     -1.28680499
  O     -0.43250443     -5.56001657     -0.76539881
  H      2.41135727     -1.46343019      0.54020728
  H      1.19277970     -3.24156855     -2.08365471
  O     -0.65861986     -1.62923301      1.59051640
  H      1.94482937     -2.82168661     -0.03732067
  H      0.16503672     -3.22884381     -5.77620812
  O      3.82716193     -1.31819327     -4.60138798
  H     -1.61933139      1.09722922     -4.82604224
  H     -1.01096301     -2.18884351     -5.84956439
  O     -2.20903782     -3.67673600      0.25717378
  H     -2.41405996      0.74098705     -3.55049306
  H      0.21046393     -2.04572186     -3.91471482
  O      3.21896902      0.19952189      0.08507364
  H     -0.38253028     -6.31200094     -0.17982099
  H      0.99299319     -1.26223958     -2.81103941
  O      1.60244179     -0.10641103     -6.00238848
  H     -1.04530751     -4.92917493     -0.35561507
  H     -1.10942657      1.25672407     -1.99791013
  O      2.37547557     -0.12961693     -2.54701663
  H      0.25523720     -1.84618692      1.34871814
  H     -1.90573046      1.00898314     -0.70577355
  O     -0.01577040      1.96619431     -5.35145406
  H     -1.19177455     -2.37421876      1.29807179
  H      0.10813221     -5.17620572     -4.79968219
  O     -2.79578170     -1.71040739     -5.84897445
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  H      0.75776058     -5.69698953     -6.10458378
  O      1.71422945     -3.89296980     -1.58799114
  H      3.54662224     -2.23965316     -4.45438000
  H     -3.10022232     -3.01218901     -4.49454526
  O     -0.05866630     -2.29071345     -5.72510656
  H     -3.12693777     -3.83837406      0.46165307
  H     -2.87407104     -2.94776595     -2.98286767
  O      0.32475018     -1.94405020     -2.96171261
  H     -2.19589933     -2.99220930     -0.43635425
  H     -0.87292384     -5.56825926     -2.64431606
  O     -1.96419789      0.94284794     -1.66780887
  H      3.97114660      0.55048303      0.55359033
  H     -1.81851532     -4.84526476     -3.63713566
  O      0.74216152     -4.95452142     -5.50725383
  H      2.49206628      0.83901077      0.19901045
  H     -1.82078039      1.24975570      1.87170397
  O     -3.08318661     -3.55990327     -3.70080628
  H      1.01662110     -0.87769422     -6.02609259
  H     -1.12943169     -0.00324945      1.28423548
  O     -1.05638534     -5.44129072     -3.58033098
  H      2.42557568     -0.42429926     -5.61723095
  H      2.71016227     -3.96867933     -3.18221418
  O     -1.38354845      0.91806704      1.09219671
  H      2.80396273     -0.09534269     -1.68222870
  H      2.29916378     -4.26540023     -4.63416313
  O      2.98657431     -3.84881215     -4.10085033
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  H      0.91414620      2.13089531     -0.75153346
  O      1.12374663      1.91998446      0.16788180
  H      0.59694155      1.25217782     -5.60453686
  H      0.29619979      1.62056357      0.56422202
          69
 Energy    -249.57684907626401     
  O     -5.25676287      3.50201081      3.40735386
  H     -5.47917811      3.74011725      2.48804231
  H     -5.80322236      1.85310925     -1.73756847
  O     -2.56556425     -2.02776980      1.52471310
  H     -6.07936339      3.39893627      3.87727025
  H      0.47993608     -2.60081847     -0.23506799
  O     -2.50129805      3.00687551     -1.95852820
  H     -1.78846786     -2.15072311      0.96609501
  H      0.33013594     -1.40878815      0.73294294
  O     -3.72207626      0.27969360      0.17994409
  H     -3.12661924     -1.40330991      1.04831309
  H     -0.95681242      3.84145816      3.07914983
  O      2.49045380      1.03167444      3.93337495
  H     -2.05396519      2.15676867     -1.87903643
  H     -0.59488927      3.33807383      4.49342485
  O      1.12526294      5.57087677      0.24387875
  H     -3.43294489      2.82398641     -1.78577515
  H     -3.95676469      7.24236552      0.89492259
  O     -1.27424536      3.24807286      1.45650895
  H     -3.63134229      0.75675137      1.01928371
  H     -3.47077905      6.08965811      1.80475367
  O     -0.12371722      1.66045864      5.00676275
  H     -2.87636789      0.36078684     -0.28492000
  H     -2.63272540      2.32140049      2.10190030
  O     -1.58610715     -0.22828492      3.40737977
  H      3.23741257      0.82138811      4.48737151
  H     -3.97744101      2.27533430      2.89493506
  O      0.85985806     -0.30462746      2.10393997
  H      2.68261506      1.89108259      3.51708039
  H     -2.40538758      5.10258541      3.76962282
  O      2.94919397      3.40332486      2.72078742
  H      0.21434636      5.51362169     -0.07477018
  H     -3.91768252      4.84601028      3.58844030
  O     -5.13886204      2.21565047     -1.15645479
  H      1.08749226      5.71403370      1.19741633
  H     -0.58052849      1.02502123     -0.75458155
  O     -0.10956806     -1.89338508      0.01524987
  H     -0.54763843      2.71806114      1.10401523
  H     -0.95798940     -0.42729161     -1.01742525
  O     -0.80061286      4.13817118      3.99020825
  H     -1.44045291      3.94258262      0.80746012
  H      0.52723504      5.18871179      3.51445715
  O     -3.67896729      6.32987327      0.88361569
  H     -0.66296123      0.94647218      4.64457802
  H      1.40584988      6.45086184      3.66815740
  O     -3.29687260      1.72892948      2.48676484
  H      0.78318838      1.45383154      4.75164139
  H     -5.45471428      3.57063185      0.11303647
  O     -3.22000177      5.49490538      3.43114204
  H     -1.93499079     -0.99550309      2.93198430
  H     -4.98465647      4.93783460      0.68366260
  O     -1.26338674      0.47464589     -1.16795849
  H     -2.19814351      0.49213258      3.19773868
  H      0.89026560      1.06688778      0.90864695
  O      1.26858769      5.68071871      3.12240795
  H      1.52036737      0.02917344      2.72417022
  H      1.48933870      2.27746284      0.09669204
  O     -5.59783634      4.20605836      0.82495694
  H      0.00660353     -0.26102625      2.56338008
  H      3.44720959      3.68735689     -0.81202845
  O      0.69406397      1.75750420      0.26087626
  H      2.44461617      4.19732752      2.93498846
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  O      2.82146277      3.51906441     -0.11367311
  H      3.05270045      3.41275766      1.76146757
  H     -2.31231420      5.63896628     -0.15723042
  O     -1.55496306      5.16034847     -0.51785269
  H     -4.73222330      1.46368788     -0.69340134
  H     -1.88259131      4.47922158     -1.12577765
          69
 Energy    -249.57645759099648     
  O      4.77161634     -7.03345316      0.54736251
  H      3.99481077     -7.56194912      0.77438340
  H     -0.96081662     -5.13031157     -2.85951324
  O      3.05038876     -8.63067639     -2.94765495
  H      4.58456779     -6.15121631      0.89257255
  H      3.12853374     -4.60622478      2.11449220
  O     -1.13184386     -7.99781535     -1.10053015
  H      2.49889025     -8.06409390     -3.50333095
  H      2.92111099     -4.98026968      0.63115864
  O      1.72818442     -2.71981575     -2.27222917
  H      3.81076630     -8.09515241     -2.69579013
  H      3.70268063     -5.62904698     -2.69983950
  O      5.07171057     -6.76095829     -2.14112330
  H     -0.30395672     -8.49863764     -1.12892454
  H      2.42223381     -5.71122204     -3.57884455
  O     -0.90020667     -3.30807533     -2.41548002
  H     -1.80587651     -8.54781783     -1.51911327
  H      0.21749359     -7.68698309      3.89927508
  O      1.35983952     -6.92999573     -4.45090161
  H      2.15763837     -2.43360226     -1.45825914
  H     -0.13748189     -6.95689298      2.58176749
  O      0.72981071     -2.59546353      1.87453943
  H      2.22194855     -3.49111832     -2.58532945
  H      0.28506010    -10.42431717     -2.51898147
  O      0.16456155     -9.21065436     -5.57284215
  H      5.01912583     -6.88532615     -1.17745502
  H     -1.16600859    -10.46044267     -3.03976849
  O      1.21449844     -9.51055154     -1.14659655
  H      5.99278011     -6.83078467     -2.37745554
  H     -1.50903675     -8.32496412     -5.18910380
  O     -0.65285240     -4.26321687      0.19553913
  H     -1.38563771     -2.61597768     -2.85568452
  H     -1.88779585     -7.15062526     -4.26741373
  O     -0.88662214     -6.05863938     -3.10595660
  H      0.03657794     -3.03820745     -2.40745893
  H      1.70018097     -7.86014366      1.86053786
  O      3.55124109     -4.57121641      1.24694682
  H      1.04252473     -7.67065066     -4.98268395
  H      1.94108926     -7.28243361      0.45358731
  O      2.87692376     -5.17561422     -2.91388424
  H      0.58061410     -6.59289683     -3.98295615
  H     -3.74809085     -9.89314347     -2.67731221
  O      0.57028668     -7.09556224      3.23988136
  H      1.09599320     -3.22294467      2.50951297
  H     -2.74923429     -8.99778027     -3.45121664
  O     -0.25262783    -10.64439825     -3.29101073
  H      1.47546539     -2.27263232      1.35322319
  H      0.85081074     -5.24527509     -0.27130884
  O     -2.25620410     -7.91025228     -4.73954625
  H      0.40078714     -9.79273133     -6.28981229
  H      1.97711628     -5.55918576     -1.32028032
  O      2.15872406     -8.03232577      1.03195691
  H      0.08434068     -9.76693231     -4.77702425
  H      2.08367644     -4.55326605      4.46776132
  O     -2.84825133     -9.57975691     -2.67608322
  H      1.89780415     -9.25225099     -1.78651582
  H      1.43368859     -5.51715177      3.45306043
  O      1.67325567     -5.72911005     -0.42045682
  H      1.54216798     -9.22234127     -0.28632936
  H      3.74518694     -1.45075670      0.30161870
  O      1.91198977     -4.67673975      3.53697368
  H     -0.26484288     -3.59423851      0.77877717
  H      3.35157102     -2.92308174      0.56035096
  O      3.02781006     -2.07409651      0.21586923
  H     -0.87692096     -3.84038327     -0.64114782
  H     -1.20557047     -5.77616701      1.02824736
  O     -1.27817690     -6.68392622      1.35549814
  H     -0.96095441     -6.60453080     -2.31003833
  H     -1.29666434     -7.23465735      0.56146399
          69
 Energy    -249.57415128067129     
  O     10.60952267     10.03246810    -11.98044503
  H     10.26847041      9.66028782    -12.80365283
  H     15.19801855     13.63248868    -14.24324177
  O     14.27410584      7.50385322    -15.09590307
  H     11.40753512     10.52035381    -12.21986272
  H     15.48807553      9.05394077    -12.48014915
  O     17.11868869     10.40337632    -10.06782493
  H     14.91704827      7.19454551    -15.74312742
  H     16.32560103      9.59158212    -13.66696900
  O     16.93750998      9.78311669    -16.54426549
  H     14.78234242      8.04737280    -14.47125616
  H     10.06791258      7.96948371     -9.61961834
  O     12.38975436      9.50339536    -15.22185608
  H     16.20835838     10.25300237    -10.37299704
  H     10.65272881      8.70514400    -10.85087029
  O     15.77001242      5.85900273    -10.11279517
  H     17.06574203     11.02127221     -9.34282729
  H     18.85649198      7.11697316    -12.85553697
  O     13.42302582      5.87995939    -13.01889416
  H     16.04536408     10.14423271    -16.66830213
  H     20.35380065      7.10049859    -12.47298774
  O     14.63193138      9.78880368    -11.04849858
  H     16.86293070      8.82613332    -16.59968368
  H     11.55300314      6.09725948    -12.91538052
  O     15.85930526      4.53555460    -12.42419271
  H     12.96854008      8.72812829    -15.26194867
  H     10.59427786      6.77710931    -11.91347387
  O     17.16225471     11.13694074    -14.20593139
  H     11.49683358      9.18440042    -15.04449510
  H     19.23107617      9.44410911    -12.31663973
  O     16.69072826      6.86179151    -16.40534966
  H     16.51099914      6.46950827     -9.98061015
  H     18.37847556     10.43944145    -11.50545339
  O     14.95856707     12.71100442    -14.19192412
  H     14.96143828      6.38325557    -10.07363276
  H     16.87711386      7.32632040    -13.49784599
  O     15.90075400      8.79948596    -13.31313447
  H     13.65476128      6.39907951    -13.80199414
  H     16.90590101      5.78085137    -13.30849353
  O     10.69682787      7.88239655    -10.33034430
  H     14.17162516      5.29510946    -12.85235230
  H     18.50779540      7.57488475    -10.66594248
  O     19.52729333      7.54455989    -12.29976883
  H     14.18773640      8.96489040    -10.80165460
  H     17.64254941      8.58243528     -9.89043454
  O     10.65270583      6.43225494    -12.81327283
  H     14.04913702     10.27130431    -11.65195928
  H     13.63236028     10.53505439    -16.22447814
  O     18.93831083     10.36255696    -12.28908109
  H     15.98859537      3.60232123    -12.28053848
  H     14.54904957     11.70255445    -15.84718926
  O     17.37470552      6.52087228    -13.71585985
  H     15.86184870      4.96040440    -11.54445553
  H     12.49540932      7.50292629    -10.38062827
  O     17.85978810      7.64493275     -9.95553139
  H     17.90770741     10.93496681    -13.62269929
  H     13.41264638      6.88141359    -11.46482990
  O     14.42337620     11.01082188    -16.50685715
  H     17.27931974     10.70388386    -15.06650144
  H     13.65391307     11.72434835    -13.31479217
  O     13.41875151      7.36079048    -10.62401591
  H     17.12742953      6.26785131    -17.01077384
  H     12.84746748     10.48181043    -13.74568697
  O     13.07328995     11.02927100    -12.97928804
  H     17.04346017      6.67163296    -15.52100574
  H      9.06648406      8.38787919    -14.76122345
  O      9.90641164      8.54962223    -14.34044103
  H     15.79121752     12.20706113    -14.15064512
  H     10.14190032      7.73750815    -13.85698296
          69
 Energy    -249.57289824303933     
  O     15.98448993     11.22305282    -10.23778988
  H     16.01145915     10.37951865     -9.77296156
  H     14.41164266      7.60404873    -14.10946534
  O     12.70491021      6.00095721    -11.69745200
  H     16.38211972     11.06615691    -11.10576181
  H     16.56909971      4.92725943    -15.19996633
  O     16.58357507     10.81865506    -12.94993431
  H     12.89809932      6.75761721    -11.12606579
  H     15.37289406      5.74247257    -14.62346963
  O     17.60084311      9.34009412    -15.02434684
  H     13.51432194      5.47789616    -11.73114579
  H     17.77192994      7.88031937    -13.87832124
  O     14.78175765     12.80030832    -13.82597246
  H     17.07427604     10.40334228    -13.67203957
  H     17.28453079      6.41554808    -13.71269339
  O     13.43728973      8.32211022    -10.34314868
  H     16.06979769     11.54519771    -13.32788742
  H     14.37397893      8.60081055    -11.94992183
  O     15.28290566      8.90002832    -16.50959486
  H     18.34199856      9.21045967    -15.62739578
  H     15.30525354      9.50756635    -12.82486504
  O     13.62491779     10.92301337    -15.62516819
  H     16.79153701      9.22488143    -15.54353487
  H     15.38226537      3.72146766    -11.56288075
  O     17.54437057      4.88664993    -16.76512349
  H     14.35244148     12.71952373    -12.95416955
  H     15.54407165      4.70150465    -12.74494948
  O     11.48726078      6.79633697    -13.97077715
  H     14.93488024     13.73018253    -13.97070363
  H     12.99661415      9.41092068    -13.39781409
  O     16.76027040      6.83182965    -10.80814315
  H     12.86587106      9.09880016    -10.38347310
  H     11.70140660      8.68131399    -13.80417863
  O     14.16261059      6.99616097    -14.82611231
  H     14.17131284      8.50157210     -9.74142306
  H     16.25248139      7.99117073     -9.63656794
  O     16.09701638      5.14144753    -14.38615216
  H     14.72960257      9.67564839    -16.33677952
  H     16.24331155      8.45362201     -8.15914821
  O     17.91047129      7.06905409    -13.37111873
  H     14.85388887      8.16526098    -16.04984244
  H     19.27854447      6.44400960    -14.56708090
  O     14.62729992      8.82183227    -12.85437604
  H     12.91192720     10.54834210    -15.09560944
  H     19.09586316      5.62093620    -15.85340858
  O     15.21404811      4.62088623    -11.83457831
  H     14.00911521     11.62243256    -15.08104716
  H     18.00615912      7.80834824    -17.69724970
  O     12.06048602      9.55624038    -13.61076533
  H     17.36382662      5.73540323    -17.20876284
  H     16.47103320      7.90590716    -17.57155068
  O     15.86845271      8.63772840     -9.01596446
  H     17.59361548      4.22472748    -17.44950991
  H     13.01688268     11.83450391    -11.18177667
  O     19.71310731      6.20621407    -15.39711837
  H     11.86540294      6.47161595    -13.13185847
  H     14.51152894     12.06110022    -10.85535198
  O     17.18599401      7.33377818    -17.88089804
  H     10.73159543      6.24952097    -14.16513316
  H     20.43239038      8.81701060    -17.16503045
  O     13.76320781     12.41483076    -11.36137064
  H     16.21489578      6.06791454    -11.02666026
  H     19.75582649      7.69363892    -16.34115797
  O     19.59003283      8.51559715    -16.83683042
  H     17.26993581      7.02183486    -11.60657197
  H     10.78731428     10.66111418    -10.80540954
  O     11.69171981     10.45772531    -11.03067870
  H     13.21870683      6.83292016    -14.72093236
  H     11.69647279     10.19221975    -11.96597748
          69
 Energy    -249.57217423805207     
  O     -2.07584360     11.90411246      8.45179437
  H     -2.93146740     12.34947161      8.48166974
  H     -1.10775607     12.34980551      7.05496450
  O     -5.09300567      8.47987528      4.16007263
  H     -2.23644454     10.95754316      8.54320388
  H     -4.41397572     14.42548066      6.79091965
  O     -1.78505600     14.74851005      4.90800600
  H     -4.99567972      8.77270619      5.08078922
  H     -4.73604752     13.99274728      5.34449998
  O     -4.43873743      9.47990537      6.65726547
  H     -5.80195470      7.84104039      4.15305728
  H      0.53300143     10.80108316      4.20670604
  O     -0.70203610      8.69838730      6.29094954
  H     -2.67825622     14.77196389      5.27962926
  H      1.90265941     10.67247742      4.91532157
  O     -4.39090350      9.98542318      1.71070825
  H     -1.29890653     14.06665992      5.39286747
  H     -5.72821913     10.79918969      6.98884818
  O     -4.53569012     12.79234871      1.80176261
  H     -3.86816049      9.16865105      7.36955831
  H     -6.08432689     11.96044646      6.05121296
  O     -2.32855870      9.03259394      8.42901430
  H     -3.89150765     10.10772684      6.15816096
  H     -1.87608096     14.13911040      1.79898012
  O     -2.25941876      8.46094653      3.99545941
  H     -1.22504340      8.46708063      5.51013711
  H     -1.86324904     13.80556441      3.30747279
  O     -1.84891205      9.15296034      1.30966405
  H     -0.03607873      9.31909478      5.97338795
  H     -1.70229837     16.29000942      4.02849239
  O     -0.34245314     11.08893703      2.74154243
  H     -4.55567737     10.93788062      1.69394441
  H     -1.24096805     17.75059940      3.81977156
  O     -0.76827628     12.57474875      6.17413976
  H     -4.77482534      9.63782825      2.52238795
  H     -3.21136112     15.70824932      0.92774819
  O     -4.38831929     14.72589506      5.87564968
  H     -4.84819309     13.65426627      1.50104031
  H     -2.05267137     16.31776043      1.73653043
  O      0.96254588     10.67236802      5.07287782
  H     -3.59907898     12.91069461      2.02212970
  H     -5.20766431     12.73751687      7.93420752
  O     -6.18382288     11.65127713      6.96222307
  H     -2.05482089      8.45440869      9.13552853
  H     -5.00849572     13.66292212      9.15692372
  O     -1.87861267     13.40369651      2.42910489
  H     -1.70126839      8.89424033      7.69511112
  H     -5.81423566     15.97886500      0.82704770
  O     -1.85015397     17.09174908      3.49722328
  H     -2.01049278      8.56382748      3.06843443
  H     -5.03720120     15.88129745      2.16017362
  O     -2.24871254     15.72966032      0.99553057
  H     -3.21157329      8.30187148      4.00920048
  H     -3.75134636     16.91067051      3.66956010
  O     -4.57763234     13.33867363      8.36981104
  H     -1.74657196      8.74531022      0.45455416
  H     -4.69071257     16.05261508      4.53905334
  O     -5.12694422     15.49077109      1.27251354
  H     -2.76923489      9.46998955      1.36360287
  H     -2.51090480     10.36528169      4.53714996
  O     -4.65450702     16.57354900      3.72711166
  H     -0.82936529     11.91187444      2.59597432
  H     -2.16487130     11.60842075      5.40925536
  O     -2.89238198     11.09957812      5.03154153
  H     -0.75366554     10.43285729      2.16767843
  H     -5.16975731     12.64930034      3.51560853
  O     -5.18857447     12.49764785      4.46791226
  H     -0.06533065     11.96025909      5.93339163
  H     -4.37872613     11.99917808      4.66037660
          69
 Energy    -249.57201906800051     
  O     13.81287134     14.91085773    -13.44501990
  H     13.78638384     14.50665158    -14.32855302
  H     11.82698116     11.44423193    -14.62881150
  O     12.67158616      9.39854230    -16.86761658
  H     13.22683549     15.66351662    -13.47139205
  H     12.08437315     11.04039594    -16.73200373
  O     15.44031305      9.38126582    -11.65756946
  H     12.34485213      8.86132057    -16.13651463
  H     11.00955887     12.09121810    -17.09192885
  O     18.12951005     14.41705317    -15.51575923
  H     13.63584056      9.35815775    -16.79992884
  H     18.55060896     12.60220830    -15.18412408
  O     12.14818620      8.29127973    -14.24569710
  H     15.40897432      8.67353620    -11.00189338
  H     18.18606719     11.44396220    -14.23079577
  O     14.94259257      7.20024229     -9.95320834
  H     14.65087521      9.92388548    -11.51819980
  H     13.80529495     12.49363865    -11.03483491
  O     14.10720379      5.80090249    -12.12467269
  H     18.74643348     15.12773160    -15.66835376
  H     13.97961211     13.80279108    -11.85872832
  O     14.87850651     11.46674098    -14.36679898
  H     17.61232839     14.66054986    -14.72734430
  H     15.20063233     10.14588318    -15.53471121
  O     13.06219347     10.81899632    -11.20752988
  H     13.09024768      8.07772137    -14.16438473
  H     16.13903872      9.71988772    -16.68195278
  O     14.87651501      7.81704222    -13.94153932
  H     12.06738119      9.23607400    -14.05508294
  H     11.52951850      7.21977460    -12.97264997
  O     17.54504234     10.69389919    -17.38033189
  H     15.38758042      6.66676893     -9.30086055
  H     10.53950860      6.19795450    -12.36761603
  O     12.21464115     11.05705871    -13.83703933
  H     14.69467014      6.60547759    -10.68404446
  H     15.97556139     13.42180122    -10.89757987
  O     11.75945069     11.93508430    -16.52425753
  H     13.14900239      5.91794913    -12.14563059
  H     17.26338317     13.67231852    -10.07072992
  O     18.59971845     11.64316455    -15.08110703
  H     14.45313813      6.32641602    -12.85950086
  H     17.16412384     12.02647716    -12.07280362
  O     14.27590725     13.33711345    -11.06784448
  H     14.74027365     12.28530409    -14.85907080
  H     16.67307717     10.56526323    -12.28417964
  O     15.38487824      9.42584683    -16.15801764
  H     15.65966459     11.56106501    -13.80820624
  H     14.65783972     13.56519040    -16.47323148
  O     11.36555485      6.64578857    -12.20491660
  H     12.58943777     10.92106558    -12.04419027
  H     13.17711545     13.10944901    -16.19524162
  O     16.94894787     13.47455743    -10.94799265
  H     12.69508609     10.04376341    -10.75720304
  H     11.90014506      7.80429665    -10.76604825
  O     17.12393208     11.30584048    -12.71440843
  H     15.13183019      8.39747394    -13.21053788
  H     13.16240015      7.98895680     -9.90820851
  O     13.91164826     13.63667965    -15.85687531
  H     15.19170852      8.22470659    -14.75863134
  H     15.70484718     15.06820220    -13.35788628
  O     12.32057605      8.40221484    -10.13588406
  H     18.23853605     10.44245502    -17.98393878
  H     16.87062003     14.56127704    -12.48787708
  O     16.66610145     14.99746904    -13.32409268
  H     17.97888784     10.96796717    -16.55100215
  H     16.56830765     12.38432087    -17.42771248
  O     16.20249891     13.25832711    -17.25053837
  H     13.17466910     11.15825013    -13.94972663
  H     16.87616734     13.72285131    -16.73583487
          69
 Energy    -249.57192854110053     
  O     12.49365583     11.00181607    -11.76641328
  H     12.58651177     10.64901641    -12.67075944
  H     15.46843952      5.60521552    -13.58070855
  O      9.82990070      5.77289266    -10.20847338
  H     12.35337689     11.94134461    -11.84949325
  H     13.73637747      6.43869392    -12.67338107
  O     16.42911479      4.71550882    -12.33437182
  H     10.45878088      5.08468208    -10.47002182
  H     12.32608938      7.03367424    -12.68821396
  O     14.15342329      3.12869603     -9.93844268
  H      9.52699536      6.18406243    -11.02575848
  H     10.68353582      8.79935262    -10.10637830
  O     17.53699000      9.34587085    -10.46367148
  H     16.08182782      4.97293049    -11.46781098
  H     11.13983010      9.83341751    -11.17058138
  O     11.01759713      7.62548939     -8.62554633
  H     17.28395201      5.16263833    -12.42051004
  H     18.59331686      7.15102741    -12.62762308
  O     15.51427836      8.89036913    -13.57169751
  H     14.72807727      3.87762713     -9.73139054
  H     18.61394997      6.43891767    -11.26336050
  O     12.65831554      5.11711531    -15.32637457
  H     14.55199207      2.68530108    -10.69660955
  H     13.36313585      7.15097928    -10.51235970
  O     18.10774283      6.90230923     -9.44959155
  H     16.59466841      9.54730847    -10.54293745
  H     12.81488326      7.49499076     -9.11017941
  O     12.76872349      3.09807954    -13.55636664
  H     17.88284274      9.33415241    -11.36473913
  H     15.77578258      3.07470242    -12.48916180
  O     11.90987425      4.19996997    -11.12802004
  H     10.57315644      6.91553033     -9.12452546
  H     15.89943409      1.53992757    -12.62543129
  O     14.92958483      6.25420295    -14.05511180
  H     10.60406251      7.65755721     -7.76733590
  H     16.51533800      5.94888096     -9.56018789
  O     12.97008540      6.60672516    -12.11119629
  H     15.24357248      9.04804888    -12.65533809
  H     14.97976000      6.17854512     -9.61152659
  O     10.45140980      9.19344125    -10.95591793
  H     15.33142894      7.96282325    -13.78583131
  H     18.68807060      9.47549328    -13.86490741
  O     18.65693397      6.28090552    -12.21516948
  H     12.54886443      4.77234532    -16.20861844
  H     17.28962196      8.96992964    -13.44428575
  O     13.63143152      7.41816281     -9.61694598
  H     12.64959222      4.35195918    -14.72234361
  H      9.60284483      8.09766431    -11.99409263
  O     15.27211616      2.24302416    -12.47716231
  H     18.71645957      6.97348623     -8.71921660
  H      8.28508163      7.64751953    -12.67128025
  O     15.67421148      5.52602438     -9.77588783
  H     17.90214581      7.81109420     -9.73434321
  H     14.41969749      8.86201723    -10.37494796
  O     18.23357593      8.94870897    -13.21265148
  H     12.32102027      3.36082259    -12.74045954
  H     14.03970745     10.16209113    -11.12420461
  O      9.19478055      7.39500107    -12.53470042
  H     13.60380855      2.70373880    -13.27803513
  H     12.34529112      9.05988238    -14.31232548
  O     14.77685890      9.57117933    -10.92780879
  H     12.60448499      3.78348710    -10.59652023
  H     13.80377033      9.56814847    -14.17085398
  O     12.88160087      9.85266084    -14.17493973
  H     12.27900343      5.02921168    -11.46458036
  H     10.54492517      7.33168610    -13.81992336
  O     11.39830549      7.46224431    -14.25492537
  H     14.27113768      5.79941756    -14.59400685
  H     11.67473072      6.63424607    -14.66788053
          69
 Ord_Energy   -249.571869    
 O   -14.7121859      -7.39031506       6.08630991    
 H   -14.3672600      -7.24911880       5.18621349    
 H   -15.4948702      -7.92793417       6.00027180    
 O   -13.1521769      -3.61185980       9.17721272    
 H   -13.7998610      -3.09714723       9.65201569    
 H   -13.6042547      -3.97664452       8.39713192    
 O   -7.17615604      -3.88728142       1.93480146    
 H   -6.57034874      -3.76575398       2.67641330    
 H   -7.81784201      -4.55244064       2.22105289    
 O   -7.99892855      -4.67154074       5.45764494    
 H   -7.14917231      -4.30314922       5.18606138    
 H   -8.47379208      -4.89648819       4.64502048    
 O   -9.08572483      -2.23393512       6.47722721    
 H   -9.49356174      -2.39222074       7.34216833    
 H   -8.73617077      -3.08481503       6.17866373    
 O   -10.9234352      -7.18434620       4.31638193    
 H   -11.1847649      -6.45565939       4.90376377    
 H   -10.5863810      -7.87292099       4.90107584    
 O   -7.52398491      -1.17204618       4.41040516    
 H   -8.10563946      -1.35371375       5.16258192    
 H   -8.06465149      -1.21801186       3.61388588    
 O   -12.4287262      -8.17468357       7.67508268    
 H   -13.2285376      -7.96667910       7.18107224    
 H   -12.3598919      -7.53047276       8.39605904    
 O   -13.5257578      -4.40638113       2.27877045    
 H   -13.9286442      -4.23782110       1.42994130    
 H   -12.6463556      -3.99521923       2.25177169    
 O   -9.13048744      -6.24011803       7.42685318    
 H   -8.64200592      -5.75657797       6.74526405    
 H   -9.32936478      -7.12509203       7.09685802    
 O   -10.0839577      -8.73401833       6.50646973    
 H   -9.83100605      -9.63599300       6.67962790    
 H   -10.9456282      -8.59130573       6.94392586    
 O   -8.78210735      -1.68935919       1.82193029    
 H   -8.55830574      -1.10673916       1.10062921    
 H   -8.16796017      -2.44411945       1.77396774    
 O   -10.3640289      -2.97430205       8.79800415    
 H   -9.97077942      -3.69443321       9.30536461    
 H   -11.3176975      -3.08515382       8.88988781    
 O   -5.80927515      -3.27445436       4.37792873    
 H   -4.91705990      -3.03643703       4.61312056    
 H   -6.33756638      -2.45532799       4.40533066    
 O   -14.1777334      -4.79757404       6.95963478    
 H   -14.3080549      -4.21657181       6.19359827    
 H   -14.5037518      -5.67581701       6.72940922    
 O   -11.0453568      -3.20039868       2.49944472    
 H   -10.3614922      -2.61453676       2.15235400    
 H   -11.1956110      -2.93245101       3.42053032    
 O   -12.0686884      -6.22376060       9.60855675    
 H   -11.1636887      -6.02750492       9.87936020    
 H   -12.5123730      -5.36815929       9.57676601    
 O   -13.6216516      -6.92688799       3.64803815    
 H   -13.6414461      -6.10013342       3.15239429    
 H   -12.6872187      -7.15862513       3.73893881    
 O   -9.37028599      -5.38464737       9.97953796    
 H   -9.19616032      -5.72607994       9.08371067    
 H   -8.61723709      -5.61652660       10.5157852    
 O   -14.2039795      -3.13956356       4.78642082    
 H   -14.1379824      -3.55727935       3.91992474    
 H   -13.3400621      -2.73087001       4.93667412    
 O   -11.5020809      -5.20099831       6.14789486    
 H   -12.3793659      -5.19516134       6.55021048    
 H   -10.8555574      -5.45057392       6.81765747    
 O   -11.4588108      -2.64671350       5.13214397    
 H   -11.4938555      -3.55750704       5.46464491    
 H   -10.6931839      -2.25846124       5.57173777    
 O   -9.30226231      -5.33438063       3.07201242    
 H   -9.94257450      -4.64950991       2.83627748    
 H   -9.80994225      -6.10222435       3.36608791    
          69
 Energy    -249.57184874708662     
  O     18.04246098     11.00228246    -16.44105047
  H     17.84058493     10.09881381    -16.14824601
  H     17.25119404      5.56655923    -13.40954347
  O     14.85414148      6.10723926    -15.31499661
  H     17.21900067     11.50238476    -16.42260185
  H     22.58993759      9.73469590    -15.13901544
  O     18.22740401     13.14248699    -12.92060842
  H     15.52451350      6.10910733    -16.01320104
  H     21.11550016     10.15766742    -14.95643974
  O     19.89121314      7.79691035    -13.80261994
  H     15.32601090      5.98528367    -14.48329257
  H     17.37308367      7.77536224    -16.02836848
  O     16.34522838      8.41190701    -19.20794120
  H     17.35981613     12.81133952    -13.19029965
  H     18.37687887      8.19356644    -14.91102964
  O     15.81058385     11.11219555    -10.80696164
  H     18.87036261     12.70081647    -13.48854439
  H     15.51183197     12.33907183    -15.21590385
  O     15.32813186      9.41508714    -14.20917645
  H     20.62036898      8.22510535    -14.26651725
  H     15.31529466     13.20235714    -16.47956771
  O     18.73967114      5.35237360    -14.29239140
  H     19.62401718      8.39066393    -13.08652006
  H     16.41642809      7.47099329    -12.06764470
  O     13.31713999      8.26393244    -15.76032689
  H     15.76804786      8.97998024    -18.66647752
  H     15.88621583      8.79010261    -12.63345817
  O     19.39638558      5.40505284    -17.10221128
  H     15.94685245      8.36198942    -20.07294156
  H     14.18091211      9.36143530    -17.02761546
  O     16.84308089      6.49391379    -17.22591597
  H     15.88550470     10.15930633    -10.93372389
  H     14.93241373     10.71023419    -17.12587307
  O     16.42848461      5.74085203    -12.91852298
  H     16.68557051     11.40513795    -10.52253355
  H     18.99226629     12.50142070     -9.84535117
  O     21.69226414      9.42664160    -15.23427661
  H     16.11009972      9.05039360    -14.65109117
  H     18.45844144     12.49897220    -11.29899384
  O     17.60464654      8.48102446    -15.41108176
  H     14.55118572      9.06897806    -14.66152618
  H     17.97016157      9.24736771    -12.02868945
  O     15.54000127     12.32209176    -16.18656690
  H     18.93950519      5.22113348    -15.22541051
  H     18.84645483     10.39688383    -11.47368412
  O     16.36007611      8.41458921    -11.87572988
  H     19.25991824      6.12564823    -14.02721014
  H     21.04682556      8.35105557    -16.71017246
  O     14.74040332      9.89680363    -17.60478839
  H     13.80112104      7.42868569    -15.61992524
  H     20.05635804      8.40445404    -17.89407601
  O     18.53720562     11.96473704    -10.48796281
  H     12.39198577      8.07465382    -15.63303621
  H     15.59137673     11.90072263    -12.48840824
  O     18.82273748      9.69412263    -12.13368099
  H     19.89823266      4.75775087    -17.58946762
  H     15.54663650     11.09444707    -13.77877844
  O     20.58965913      7.80154545    -17.35402049
  H     19.87576879      6.25071248    -17.18314677
  H     19.39251801     10.70692681    -13.63843849
  O     15.66532671     11.99920101    -13.44760461
  H     16.70498283      7.05455642    -18.00045699
  H     19.20051631     11.22190696    -15.10545041
  O     19.80039345     11.23055817    -14.34317839
  H     17.69331512      6.04330242    -17.31532971
  H     18.70029850     10.21154601    -18.03053564
  O     18.92663626      9.55195661    -18.69914385
  H     16.25085402      4.95456660    -12.40735640
  H     18.08488620      9.17315971    -18.97895713
          69
 Ord_Energy   -249.571732    
 O  -0.764989495      -1.33925748       3.39692092    
 H  -0.195439816      -2.10182476       3.24431610    
 H   -1.46785688      -1.38823164       2.73019338    
 O    1.99011326      -1.17236912       1.12308598    
 H    1.79334784      -1.96526301       1.63857591    
 H    1.79314864     -0.416106761       1.69011128    
 O   -2.21076155       2.91348171      0.144096076    
 H   -1.30649316       2.56791282      0.142847106    
 H   -2.33830285       3.32443571       1.01169598    
 O   0.843630612      0.864876151       2.72944045    
 H   0.608557940       1.57831895       3.33499026    
 H   0.267832696      0.120435573       2.96135306    
 O    1.54114485      -3.23495364      -2.43373704    
 H    2.13774204      -3.79739356      -2.92031837    
 H    2.05666113      -2.45914674      -2.14772272    
 O   -4.36498880       3.95327397E-02  -1.71599352    
 H   -3.77792192      0.686963379      -2.12400413    
 H   -4.08728647     -0.827414989      -2.03584719    
 O   -2.48837471       3.61757255       2.77805448    
 H   -1.70674050       3.44656968       3.31712723    
 H   -3.17089272       3.02663708       3.11913061    
 O   -2.61031723       2.22094321      -2.50130081    
 H   -2.51120090       2.54950404      -1.59275126    
 H   -3.03393316       2.92059398      -2.99457002    
 O  -0.348508239      0.798350215      -3.53847075    
 H   0.447766483       1.15764344      -3.12957668    
 H   -1.09096193       1.32246006      -3.21199989    
 O  -0.792231381      -1.82281637      -3.00078917    
 H  -0.585070789     -0.927471697      -3.31360841    
 H    1.78878400E-02  -2.34600139      -2.96538782    
 O  -0.465682000     -0.833824277     -0.373813033    
 H   0.359562755      -1.15849888       7.85744004E-03
 H  -0.572783530      -1.21678412      -1.25209618    
 O   -3.40255260      -2.47611904      -2.66221786    
 H   -3.74609709      -2.93424988      -3.42528939    
 H   -2.47018957      -2.27194405      -2.85354447    
 O   0.987854540      -3.40198827       2.49940705    
 H   0.688979447      -3.72526717       1.62853849    
 H    1.36399031      -4.14960527       2.95542383    
 O   -2.00531554      0.664799809       4.95639849    
 H   -2.84160113      0.842117131       4.50739908    
 H   -1.63378453     -0.131369159       4.55381775    
 O    2.80324388      -1.02642238      -1.52065802    
 H    2.58334422     -0.124432810      -1.77867615    
 H    2.69266176      -1.06466126     -0.559303999    
 O   0.223415181      -4.10445547       2.46366207E-02
 H   0.652217984      -3.90147090     -0.812076986    
 H  -0.733559370      -4.04267836     -0.118070133    
 O   -4.32436562       1.50485778       3.50511146    
 H   -5.23213863       1.54494882       3.79604030    
 H   -4.34504795       1.24248564       2.56946969    
 O    1.92331707       1.67833614      -2.03259611    
 H    2.47545934       2.45009160      -2.13172841    
 H    1.40392005       1.80724084      -1.22127128    
 O   -4.08055830      0.910617948      0.844362378    
 H   -3.42848611       1.59536290      0.642349243    
 H   -4.35694742      0.550640941      -1.19521897E-02
 O  -0.328262240       2.73168588       4.47814655    
 H   -4.44127694E-02   3.16525388       5.27846527    
 H  -0.924911618       2.00777626       4.74621964    
 O   -2.50949430      -3.72372818     -0.232607901    
 H   -2.91002584      -3.40811515      -1.05070782    
 H   -2.67858982      -3.02895069      0.417507052    
 O   0.269763798       1.71745813      0.158179075    
 H   0.521193266       1.58309007       1.08150196    
 H   -7.87508264E-02  0.860019982     -0.137298658    
 O   -2.54331923      -1.37492216       1.32790935    
 H   -3.16177797     -0.642334342       1.22793818    
 H   -1.82814276      -1.20478237      0.693710983    
          69
 Ord_Energy   -249.571701    
 O   -1.54581439       4.55088520       3.88949203    
 H  -0.592823625       4.58049059       3.88381267    
 H   -1.84036469       5.12843037       4.61672020    
 O   -4.56851530       2.54196692       2.04733562    
 H   -5.17041731       2.42796230       1.30233455    
 H   -4.19253349       3.43170166       1.96299887    
 O   -6.60383749       2.69200969       6.08255304E-02
 H   -7.31505203       3.07512093      0.601032913    
 H   -7.02421618       2.13521647     -0.589738727    
 O   -9.19960785       3.82512617       6.20331621    
 H   -9.08818340       4.45812416       6.91945076    
 H   -8.51856709       3.14852190       6.33261728    
 O   -5.78136683       8.34497452       7.03147078    
 H   -5.79427671       7.75888443       7.79428530    
 H   -6.57147312       8.11063671       6.52180386    
 O   -3.71658373       8.58207321       5.30100393    
 H   -3.38260269       9.47485924       5.30766773    
 H   -4.44394684       8.54951000       5.94841433    
 O   -9.33081913       7.00093460       3.43217158    
 H   -8.67807865       6.94864988       2.72206497    
 H   -9.74470615       6.13092327       3.49141765    
 O   -6.71434355       2.95362210       3.75510287    
 H   -5.91022015       2.75831842       3.25712276    
 H   -7.36515045       3.24718237       3.10671043    
 O   -7.11270332       2.00204778       6.31701326    
 H   -7.00471926       2.17273450       5.36904573    
 H   -6.21430254       1.94986367       6.65800047    
 O   -3.48725033       5.10487604       1.90327215    
 H   -2.71629238       4.93411016       2.45850682    
 H   -3.98824453       5.79534960       2.36189318    
 O   -8.74505138       5.88599443       8.15941715    
 H   -7.83907938       5.96328831       8.49723625    
 H   -9.32664776       6.10703325       8.88319492    
 O   -3.14371467       2.25757122       4.47209311    
 H   -3.59788489       2.13932633       3.62888432    
 H   -2.53252649       2.99117136       4.33065844    
 O   -4.26101637       2.00464821       6.93502378    
 H   -3.84813333       1.26216173       7.36788464    
 H   -3.86935449       2.05699420       6.04439592    
 O   -8.36573029       3.98373008       1.76402807    
 H   -7.96805906       4.86781645       1.73618174    
 H   -9.12923241       4.03287029       2.35367942    
 O   -4.96462965       6.95643187       3.35443044    
 H   -5.30611801       6.32030058       4.00282145    
 H   -4.51496553       7.63663054       3.86699176    
 O   -6.10648632       5.27082872       5.16224146    
 H   -6.85909748       5.84594488       5.35363626    
 H   -6.41484928       4.46414518       4.73021841    
 O   -7.14427328       6.48567867       1.64916897    
 H   -6.46704960       6.77899408       2.27353311    
 H   -6.65057516       6.21341896      0.861587763    
 O   -7.98840427       7.23848915       5.78663111    
 H   -8.54354477       7.24925613       4.99324274    
 H   -8.48435402       6.85270691       6.51735067    
 O   -6.08107901       6.20370340       9.00431061    
 H   -5.68644857       6.24493408       9.87182236    
 H   -5.49821806       5.64525270       8.46030140    
 O   -4.53227234       4.75106955       7.30967665    
 H   -5.08186102       4.94009209       6.53059673    
 H   -4.38570356       3.79699898       7.31258059    
 O   -2.45337343       6.09756660       5.91164637    
 H   -3.09018779       5.65631914       6.48768377    
 H   -2.81386304       6.97260475       5.72351313    
 O   -10.2797060       4.31184244       3.76678133    
 H   -9.89106750       4.11944389       4.63930845    
 H   -11.1957417       4.05125904       3.81470084    
 O   -5.44107962       5.33589411     -0.213083476    
 H   -5.75869417       4.42910385     -0.295763373    
 H   -4.64832783       5.28700256      0.336657375    
          69
 Energy    -249.57170087602537     
  O      0.75271081     -0.14058846      3.11690331
  H      0.95051267      0.78412727      3.30269952
  H     -3.34850229      3.10683502      0.99309194
  O     -2.12712265     -1.54559788     -3.59911191
  H      1.31061915     -0.44699219      2.38709691
  H     -2.39962840      1.64074784      4.78350005
  O     -0.77494211     -0.91179077      5.28864723
  H     -1.36549006     -1.15196659     -3.14151579
  H     -2.06775513      2.25936797      6.15994762
  O     -4.14983784     -0.95727981     -1.68240168
  H     -1.96432777     -1.44890290     -4.53405488
  H     -0.73341323      3.04610738      0.89352486
  O     -1.89503224     -3.88100798     -1.89348857
  H     -0.14737906     -0.78124893      4.56196612
  H      0.33219991      2.82114187      1.98794408
  O     -0.00850405     -2.71351897     -0.22950592
  H     -1.09863786     -0.03066907      5.49936150
  H     -1.44308385      0.40373824     -1.17065380
  O     -4.66461962     -1.53803843      3.92533687
  H     -4.05887667     -1.73194137     -1.10644301
  H     -2.96475279      0.23450047     -0.98540894
  O      0.59649500      2.58516326      3.87699992
  H     -3.61288547     -1.13341619     -2.46404618
  H     -1.84289072      0.31223377      1.03198803
  O     -0.10982472     -0.54994481     -1.98266810
  H     -2.66035553     -3.80509600     -1.30904148
  H     -0.85694089      0.01506769      2.22989077
  O     -5.06553177      2.47404188      1.73231649
  H     -2.03189197     -3.22843414     -2.59019514
  H     -4.69769902     -2.95688648      0.55892841
  O     -3.57493304      1.07144512      3.62112924
  H     -0.51837080     -2.76139546      0.59039659
  H     -3.16770807     -3.06357087      0.68806664
  O     -2.50542815      3.20810226      0.54022340
  H     -0.50688369     -3.25371807     -0.86033880
  H      1.96758481     -0.23852295      0.27194357
  O     -1.66950232      1.87347155      5.38374648
  H     -4.35617489     -0.62320908      3.92537482
  H      1.47191277     -1.69273900      0.46646920
  O      0.19261551      2.80019231      1.03608912
  H     -3.92353692     -2.07749386      4.22670548
  H      1.06506304      1.86065145     -0.13308073
  O     -2.20555072      0.75762805     -0.69784705
  H      1.15352325      3.15130851      4.40630622
  H      2.24875318      1.88344391     -1.12563217
  O     -1.77277512     -0.04315114      1.92711663
  H     -0.19255747      2.39596230      4.40848934
  H     -2.22117418     -3.72435763      5.29790525
  O     -3.89424079     -3.12307308      0.05034252
  H      0.53798782      0.11068335     -1.70527422
  H     -1.77001977     -2.28787316      4.94258895
  O      2.01393306     -0.99921808      0.86433512
  H     -0.04515656     -1.29254690     -1.36227562
  H     -1.96574610     -3.04265232      2.80653821
  O      1.56749118      1.31961069     -0.76884924
  H     -5.81062019      3.06852799      1.70872888
  H     -1.89433286     -1.79554015      1.90281884
  O     -2.34321264     -3.02428059      4.66256825
  H     -5.31422760      1.69923150      1.19642798
  H     -6.84781688     -2.64213151      1.95305364
  O     -1.84588602     -2.76467841      1.89223413
  H     -4.14956968      1.62518885      3.07808012
  H     -5.55244202     -2.01328795      2.51901308
  O     -6.02279189     -2.23905252      1.69622451
  H     -2.93986580      0.65818906      3.01231758
  H     -5.32012599     -0.04835812     -0.49504099
  O     -5.73290912      0.24854125      0.32515099
  H     -2.44442855      2.43316152     -0.03872610
  H     -5.91736831     -0.55762846      0.82293506
          69
 Energy    -249.57153847369688     
  O     17.84805477      5.34530931    -10.55533057
  H     17.08495211      4.82600938    -10.26417977
  H     11.35634624      7.12373472    -14.14100090
  O     13.90343342      8.47256421    -11.96769021
  H     17.81097321      5.38707442    -11.51896252
  H     14.64400039      5.39162997    -10.86880216
  O     14.74728438      9.31567461    -16.27688391
  H     13.48489144      8.82091234    -11.17215233
  H     14.50495250      5.31452391    -12.39484741
  O     17.60462084      7.86372868     -9.64883434
  H     14.03190151      7.52153123    -11.81175460
  H     14.70808739      2.94361944    -12.39572590
  O     15.44888223      4.15811769     -9.76490143
  H     14.67224366     10.11886328    -16.78487695
  H     13.33548441      2.49634942    -11.87876416
  O     13.00912497      7.94922634    -14.53985831
  H     15.57649770      9.38012294    -15.76919958
  H     13.71493355      8.71734915     -9.01018699
  O     15.62922225      6.69192361    -17.04429664
  H     18.41096954      8.15512805     -9.23162633
  H     12.70063113      9.88706903     -8.94514423
  O     13.91475117      5.29211523     -7.71737471
  H     17.74696950      6.93875421     -9.92230395
  H     11.50079383      6.10635846     -9.73204369
  O     17.08711954      9.27122700    -14.90730103
  H     15.01155802      3.46414480    -10.28195281
  H     12.01365850      7.40841661     -9.07996751
  O     18.09290265      6.76685600    -15.90323230
  H     14.91081944      4.37181026     -8.99263438
  H     17.02732978      8.41286575    -11.35510192
  O     17.40868838      5.97908671    -13.30065728
  H     13.50993443      8.49056437    -15.16281717
  H     15.70888412      8.60313675    -12.15010816
  O     10.66374088      6.52548612    -13.82901974
  H     13.28725200      8.21577974    -13.65202555
  H     15.95197267      7.84387617     -8.76853189
  O     14.20777040      5.81053362    -11.62091371
  H     15.29059634      7.59083609    -16.94775611
  H     14.85746438      6.96936300     -8.09140152
  O     14.27077290      2.50186884    -11.65273382
  H     14.96021519      6.11951351    -16.64642759
  H     11.09246248      5.89118841    -12.20288462
  O     12.90855385      9.08569978     -9.41782553
  H     13.10547520      5.67306605     -8.10299061
  H     12.43433964      5.54802158    -11.48945906
  O     11.77960526      6.49151475     -8.89077367
  H     13.70093413      5.04470567     -6.82162132
  H     14.78600293      4.56847452    -14.37843395
  O     16.66625444      8.50144911    -12.24524581
  H     17.01398394      9.13043137    -13.95346961
  H     16.10137755      4.75751292    -13.56212306
  O     15.07409973      7.86682451     -8.36849426
  H     17.57637063      8.51387332    -15.25113714
  H     11.39932974      3.72879772    -11.96440022
  O     11.47566835      5.41045736    -11.45411835
  H     17.23770489      6.67170490    -16.36016870
  H     10.82937639      2.29187853    -11.92063617
  O     15.29350222      4.22845302    -13.62916159
  H     18.77032749      6.54653766    -16.53651489
  H     11.37993658      3.46899199    -14.12685282
  O     11.44396118      2.85313237    -12.38755435
  H     17.10309445      6.82555204    -12.94517174
  H     10.80645562      3.34534186    -15.55452499
  O     11.31288866      3.91857718    -14.98352904
  H     17.76474044      6.16710535    -14.17801711
  H     12.86049259      4.86043390    -15.44565210
  O     13.65086444      5.40894484    -15.51245981
  H     10.74794710      5.72168179    -14.35463888
  H     13.42603969      6.27530128    -15.14101205
          69
 Energy    -249.57149501397873     
  O     15.14529081     11.94203145    -11.83839268
  H     15.90115006     11.62843348    -11.32915280
  H     14.35824570      9.20513116    -16.80456518
  O     14.07913087      6.78972783    -14.79288563
  H     15.37873986     11.80563493    -12.76799198
  H     18.72719072      9.90599141    -13.45247080
  O     16.80020298      5.88834138    -11.08900685
  H     14.61711575      7.51068524    -14.42441277
  H     18.98676276      8.72071496    -12.48117440
  O     19.12638593      6.79884152    -12.24988723
  H     14.50026708      5.98666476    -14.46825161
  H     15.79622476      9.48185950    -13.90389805
  O     13.62131627     10.81404067    -16.08222684
  H     16.23809652      5.28579362    -10.58115060
  H     15.80904665      8.51929489    -12.68325336
  O     12.70547188      6.19830350     -9.33440521
  H     16.43906002      6.77737489    -10.95053008
  H     12.12823364     11.98210466    -10.98002549
  O     11.97269103      7.44202869    -13.14338430
  H     18.36412587      6.41900293    -11.78044099
  H     13.51839913     11.53640312    -11.49796138
  O     15.75136407      8.39264455    -10.86088292
  H     19.90155588      6.35575492    -11.91371169
  H     14.51515357      3.80575467    -12.93183751
  O     17.56734740      8.48751410    -16.79312575
  H     13.10417548     11.36186824    -16.66691251
  H     13.77635178      2.45644036    -12.80874859
  O     11.62364739      5.08159411    -11.76869201
  H     13.03753820     10.56610909    -15.34247042
  H     11.88986300      9.21380247    -13.74608864
  O     17.65387948      6.68119194    -14.65546701
  H     12.24541771      6.34380197     -8.51098593
  H     12.20420184     10.58112910    -13.10925560
  O     14.80062422      8.38474671    -17.05355230
  H     12.79654866      7.06691724     -9.75818596
  H     16.08677115      5.21193543    -12.67623461
  O     18.84765432      9.67409611    -12.52396044
  H     11.68026318      6.61802016    -12.72878370
  H     16.45537837      5.28090881    -14.15288508
  O     15.80836870      8.55271633    -13.64733535
  H     12.64422649      7.19127803    -13.79401548
  H     14.13861702      4.97527798     -9.65658548
  O     12.60302347     11.23915458    -11.34187556
  H     16.20800486      9.20372318    -10.60627896
  H     14.44518596      3.88298120    -10.69736738
  O     13.81096626      3.34058356    -12.45126606
  H     14.79745137      8.51366929    -10.76248732
  H     18.13310081      9.80892121    -15.85515449
  O     12.08577179     10.13637144    -13.95611714
  H     16.62069314      8.46775489    -16.99808806
  H     19.08679927     11.01888186    -15.71608259
  O     15.81691701      4.88437934    -13.54659623
  H     17.73106056      7.71612709    -16.23561918
  H     12.66552281      8.14495434    -11.63148549
  O     14.82792803      4.36935239     -9.95703370
  H     11.88120128      5.34793141    -10.87794310
  H     12.78999576      9.47914134    -10.85250465
  O     18.40314944     10.53375162    -15.26186339
  H     12.29165320      4.44578175    -12.05392566
  H     17.89255755     11.01129990     -9.83743763
  O     12.98354320      8.53451169    -10.80240252
  H     18.32554323      6.64203670    -13.96445650
  H     17.90654320     10.37201323    -11.24699835
  O     17.32487349     10.68305532    -10.52917611
  H     17.03174138      7.36939484    -14.36894445
  H     15.15496858     11.18434711    -15.11648720
  O     15.83028573     11.25074077    -14.42813372
  H     14.45643896      7.71230654    -16.45288644
  H     16.70419260     11.13911248    -14.82420369
          69
 Energy    -249.57124140791910     
  O     12.88387403      9.54707663    -11.32294977
  H     13.34529027      9.84247988    -10.52676728
  H     16.21816217      9.45068054    -12.62562595
  O     10.74903853      6.37784120    -12.09637889
  H     13.25182824      8.69598366    -11.58840946
  H     14.24256918     14.35489080     -8.38615061
  O     12.64661816     11.73186658    -12.95202350
  H     10.23377734      5.62656737    -12.37530719
  H     13.48670084     15.04984660     -7.22972500
  O     13.76701480     10.46367596     -8.83653992
  H     10.77535799      6.99771094    -12.85103682
  H     11.64896394     12.80936843    -11.94729008
  O     15.10943569      7.28909309     -9.86576174
  H     13.55019648     12.06943918    -12.93846451
  H     10.17887268     12.96843676    -11.48412838
  O     15.17217599     15.17973534    -11.84605007
  H     12.67216058     10.90985844    -12.43723826
  H     12.10863225      7.92733696     -8.69808712
  O      9.53312090     10.63772043     -9.32297965
  H     13.04438279     11.10571123     -8.76962321
  H     12.56625602      7.48189392     -7.29091131
  O     15.30532803     12.45032402    -12.52777552
  H     13.49635585      9.65120123     -8.39365367
  H     15.27177305     11.10537190     -9.51533146
  O     15.74558308     14.09471607     -9.24292277
  H     14.44804729      7.42291272     -9.17958661
  H     16.51712093     10.61831346    -10.28773237
  O     10.87066135      8.23237151     -9.99284283
  H     14.62146547      6.98315094    -10.64524901
  H     11.98644759      8.21313057    -14.36801486
  O     12.73138350     15.44903108    -10.68800450
  H     14.27250845     15.32064999    -11.49993193
  H     10.67871225      8.98652533    -14.05869252
  O     15.75510231      9.77660332    -13.40664043
  H     15.43867883     15.99702165    -12.25808557
  H      9.59561514     11.02587639    -13.13290767
  O     13.35751476     14.53081554     -8.01891126
  H      9.88971924      9.75115457     -9.46214987
  H     11.02015842     11.14194079    -13.70528910
  O     11.07195268     13.30510056    -11.34674825
  H     10.25111963     11.17447968     -8.96424385
  H      8.91135735     11.36770237    -10.79850434
  O     12.86823175      7.90057173     -8.09310705
  H     15.53549438     12.10069135    -11.65463779
  H      7.75745134     12.03576671    -11.58201008
  O     16.04159436     11.41288122    -10.01773910
  H     15.31763076     13.41113998    -12.43835524
  H     14.26698002      7.88797469    -15.42624447
  O     11.06342843      8.09906102    -14.11771142
  H     15.99411235     13.17872285     -9.42517003
  H     14.57198058      8.76746309    -14.19548508
  O     10.17659711     10.68465376    -13.82211081
  H     15.69799854     14.53006489    -10.10292272
  H     17.84036142      8.50992859    -10.88199884
  O      8.68837884     11.83398455    -11.62331238
  H     11.46185764      8.81180766    -10.49963829
  H     16.34994113      8.33691223    -10.51049477
  O     13.93961157      8.12409370    -14.56211054
  H     10.64691544      7.51525255    -10.59829980
  H     12.64008026      6.56600531    -12.07198630
  O     16.98748404      8.93258785    -10.94214843
  H     12.06202300     14.81623319    -10.98335735
  H     13.73807961      7.14859785    -13.00716158
  O     13.55713815      6.86654739    -12.10007835
  H     12.85321741     15.27973385     -9.74638033
  H     12.24352826     13.09042381     -8.40114351
  O     11.77495671     12.35583517     -8.81843851
  H     15.64596738     10.72635306    -13.27422294
  H     11.53897284     12.66394558     -9.70608867
          69
 Energy    -249.57078550245194     
  O     14.90184201     10.18530731     -9.45860830
  H     15.56500130      9.85551550    -10.08286553
  H     10.87933513      9.68974985    -10.92657086
  O     16.98107721     13.27571900    -13.34558077
  H     15.12468721     11.10856009     -9.28643212
  H     15.56206997      5.91230020    -11.07808933
  O     11.35177612     10.92814755    -15.13417676
  H     17.68407846     13.85113870    -13.63385099
  H     14.07882904      5.59622819    -10.77059784
  O      9.83873673      8.88257919    -13.84315656
  H     17.32060197     12.77571850    -12.58113704
  H     12.10146478      6.14485046     -9.90429053
  O     12.91972190     11.92440217    -13.01780279
  H     12.09637565     10.42874277    -15.51510215
  H     12.52437972      5.12393848     -8.82531988
  O     15.24032684     11.42147022    -14.49948901
  H     10.94359245     11.40054946    -15.85574057
  H     15.39138129     13.75664120    -12.34687085
  O     15.63174116     12.88597454     -9.37800241
  H      9.76171329      9.12005943    -12.91107554
  H     13.94227862     13.25496283    -12.17915178
  O     16.93897670      9.20405962    -11.15194298
  H     10.29545876      9.61560594    -14.27412771
  H     13.99909517      8.85044898    -16.01955405
  O     13.92262083      5.33256900    -14.24726685
  H     12.78103250     11.30660410    -12.28660965
  H     14.25547029     10.34193083    -15.71245373
  O     17.70721992     11.91058847    -11.11858959
  H     12.28595589     11.68983147    -13.70738094
  H     17.60540061      6.17974377     -9.47731168
  O     13.78250099      8.12305493    -12.49741880
  H     15.89448302     12.08341460    -14.24402969
  H     16.26070672      6.93619427     -9.32318250
  O      9.95821553      9.38755813    -11.00396533
  H     14.45188353     11.59464581    -13.96436024
  H     10.42270224      7.53251478    -10.87036315
  O     14.71699218      5.69448607    -11.49075542
  H     15.21452640     13.24326127    -10.18265398
  H     11.02764855      6.54640844    -11.88389079
  O     12.85699263      5.82590240     -9.37879948
  H     15.64129345     13.59025394     -8.73574498
  H     14.69036588      6.54789817    -15.25599219
  O     14.63628593     13.76901194    -11.74586618
  H     16.73187382      9.07114908    -12.08836848
  H     15.47218887      6.84894376    -16.55232898
  O     13.59914356      9.72568298    -16.06497023
  H     17.08139641      8.32952062    -10.77115615
  H     12.36379689      7.32035418    -13.35100255
  O     16.92895892      6.63807504     -9.96839522
  H     13.00827938      5.63907983    -14.15812185
  H     10.91522184      7.42140351    -13.87257565
  O     10.84221222      6.66773455    -10.94317600
  H     14.26444987      5.26601353    -13.34718574
  H     14.12074736      7.07729420     -8.67294684
  O     15.10829382      7.25916275    -15.77196030
  H     17.58661260     10.95156275    -11.11342537
  H     14.78730522      8.48512017     -8.62800408
  O     11.61506267      6.78784480    -13.65917000
  H     17.13691561     12.25410664    -10.42009598
  H     15.94585211      8.32467046    -14.50584855
  O     14.91945590      7.55280868     -8.41169340
  H     14.53235617      8.48063205    -12.98666199
  H     15.90498933      9.82277368    -14.06598551
  O     16.13631103      8.92787075    -13.77589604
  H     14.09167502      7.29721289    -12.10073502
  H     12.93856550      9.31217640    -11.54706429
  O     12.61336618     10.03854552    -10.99073533
  H      9.43776709      9.93671233    -10.42351525
  H     13.30837874     10.18307991    -10.33637130
          69
 Energy    -249.57060941627159     
  O     17.83997025     11.15407621    -14.41640848
  H     17.06343088     11.72443354    -14.37493697
  H     18.08661591      7.48754701    -10.19066574
  O     15.47399996      6.52641904    -11.61332571
  H     18.06375653     10.93963240    -13.50106202
  H     12.66364291      6.02639953     -8.63007893
  O     12.15155991      9.05499019    -13.07077962
  H     15.75852673      6.23679016    -12.49061065
  H     12.68239389      7.52873219     -8.93997063
  O     13.29414192     10.40777374    -10.91435065
  H     14.50860600      6.49472000    -11.62544833
  H     14.26964374     11.94937373    -11.23279462
  O     19.45294015      7.82828054    -11.52386489
  H     12.89356131      9.41464795    -13.57795368
  H     15.67418517     12.43804765    -10.82347248
  O     12.81730199      6.72644471    -16.13277242
  H     11.48717189      8.79693431    -13.72616103
  H     14.90812234      9.65972143    -11.50121545
  O     15.92502665      5.80210176    -14.26464001
  H     13.13951231     10.00396822    -10.05249045
  H     15.62135351      8.31204868    -11.83753218
  O     14.43708246     10.02488874    -14.34570117
  H     12.72409625      9.97388537    -11.56429336
  H     18.64543455      9.12478965    -16.67847287
  O     15.89894344      9.48724618     -8.55090055
  H     20.33798809      7.48740460    -11.42774500
  H     17.96585340      9.75788177    -15.44211336
  O     13.28544537      4.79333595    -14.05937454
  H     19.11482000      7.48947046    -12.37261279
  H     18.40288918      7.65705515    -14.61510551
  O     13.25262623      9.17183734     -8.37744662
  H     12.94799855      5.99611270    -15.51565083
  H     17.70072010      6.42336235    -14.02114658
  O     17.29652159      7.36088948     -9.65332481
  H     13.68204961      7.14147928    -16.23881193
  H     12.48536897      7.39667423    -12.37167798
  O     12.39742973      6.66898614     -9.28431189
  H     15.73470879      6.55346137    -14.84642896
  H     12.46985730      6.53289424    -11.06764002
  O     14.95729303     12.59426140    -11.44938745
  H     15.11844436      5.27274124    -14.24883777
  H      9.98883202      8.22536058    -15.83388617
  O     15.62398154      9.26151211    -12.01367846
  H     14.64653893     10.96116975    -14.43728665
  H     11.39263153      7.64705354    -15.58357195
  O     18.04003412      8.93966970    -15.96540553
  H     14.94891504      9.71716308    -13.57991197
  H     17.77375551     12.37505042     -9.30455353
  O     18.46259033      7.00428258    -13.90651644
  H     16.30964320     10.29381740     -8.87853617
  H     17.59976364     11.33266473    -10.43292735
  O     12.70267032      6.52770152    -12.00694838
  H     16.42806315      8.74631383     -8.88271583
  H     14.97382187      8.71638806    -15.44130666
  O     10.66394953      8.13839242    -15.16702454
  H     13.00728832      5.35904622    -13.31866997
  H     16.28378040      8.26603722    -16.11038118
  O     17.12740211     11.82400998     -9.73896618
  H     12.83775143      3.95833460    -13.95046697
  H     15.25991217     12.68257993    -13.16151009
  O     15.38025909      7.98197444    -15.92567325
  H     14.22452930      9.26151543     -8.39078422
  H     15.17628336     13.50787511    -14.46643362
  O     15.41463032     12.65125188    -14.12296352
  H     12.94346917      9.62410940     -7.59707643
  H     18.72429799      9.52546721    -11.63731469
  O     18.14013799     10.28436110    -11.75515265
  H     16.66265887      6.91794127    -10.23407805
  H     17.24441049      9.92111639    -11.86138684
          69
 Energy    -249.57029812328210     
  O     17.26590139     11.29723341    -16.91233248
  H     17.35849396     10.43975915    -16.46801147
  H     22.09008338      9.88863000    -16.33099988
  O     16.18291356      5.66224601    -15.57272323
  H     16.37478331     11.60059925    -16.71112750
  H     18.32296864      8.64690126    -15.18019272
  O     17.90982783     12.79015758    -10.54027301
  H     16.63032367      5.96759617    -16.37634188
  H     17.39662883      8.20935992    -16.34288694
  O     19.85418789      8.02037385    -14.30518671
  H     16.85195534      5.66949431    -14.87992346
  H     14.03676514     12.50874530    -16.13523476
  O     15.67430779      8.36915048    -19.39169300
  H     18.37219280     12.10882288    -10.03670177
  H     14.82190105     11.74034508    -15.04968068
  O     16.45112438      9.45200135     -9.72274431
  H     16.97161196     12.57214065    -10.47255589
  H     16.36660973      8.04824324    -12.50159181
  O     15.41956515      8.75759241    -13.84285419
  H     20.44417125      8.47012425    -14.92480026
  H     17.41441652      6.93196624    -12.30783843
  O     18.16165540     11.87279705    -13.12686304
  H     19.79260095      8.56791340    -13.50928494
  H     14.01298404      8.49711756    -16.61990131
  O     18.31174465      5.84112644    -13.59725582
  H     15.09762716      8.14944543    -20.11829654
  H     14.27748329     10.01770246    -16.80273618
  O     13.87076957      7.04992136    -15.36926354
  H     15.10765986      8.70227736    -18.67338076
  H     19.29439809     10.06889324    -10.36520563
  O     17.40868187      6.96129225    -17.68157921
  H     17.34070216      9.72126457     -9.46096122
  H     19.93428476     10.23515296     -8.96792400
  O     21.20288302      9.60252024    -16.13120841
  H     16.56607865      8.72131926    -10.34374651
  H     18.38638823      8.90595554    -11.97758397
  O     17.48576915      8.84226259    -15.61674134
  H     14.74195203      8.19118100    -14.23016847
  H     18.80805773     10.32311368    -12.48924019
  O     14.60622808     11.75555803    -15.99656846
  H     16.14611193      8.79306930    -14.48702491
  H     14.51727872     11.95758566     -9.97154704
  O     17.01590502      7.69577190    -11.87423081
  H     18.17877049     12.34631992    -12.28208637
  H     15.59165742     10.88137441    -10.25332245
  O     14.18416748      9.18329778    -17.27592492
  H     17.23053674     11.76281336    -13.35540788
  H     20.28160740      8.69181364    -17.59865406
  O     19.13967625     10.40601354     -9.46690220
  H     18.91946995      6.52853313    -13.91785393
  H     19.24820627      8.93392517    -18.72356290
  O     19.13799213      9.50825434    -12.08071884
  H     18.83754258      5.05571570    -13.46331724
  H     15.31559049     10.47543002    -13.47187122
  O     15.22004901     11.72335101    -10.57220005
  H     14.66658430      6.49269212    -15.45534465
  H     15.22101879     11.62401299    -12.42961966
  O     19.74016979      8.24173230    -18.25429351
  H     13.12638232      6.45942673    -15.29625558
  H     19.26160893     11.87588254    -14.64849978
  O     15.35833852     11.43927624    -13.36694772
  H     18.30287847      7.26545377    -17.90534589
  H     18.89163652     11.74922884    -16.12732327
  O     19.64516952     11.72675857    -15.52187714
  H     16.81013996      7.33353577    -18.34172185
  H     17.19778914      9.56277445    -19.52297995
  O     17.98397684     10.09864099    -19.36307773
  H     20.68843144     10.40498955    -15.92779606
  H     17.75689526     10.65648294    -18.60703852
          69
 Energy    -249.56912626911048     
  O     15.41298981     10.30205947    -15.99696762
  H     15.91009191      9.60017833    -15.54906234
  H     18.87200841     11.36089995    -15.98107584
  O     16.36103484      4.64610423    -13.60564002
  H     14.53935631     10.32495007    -15.59166718
  H     17.79605298      8.55163803    -14.53892816
  O     19.53901662      9.07865825    -14.15006746
  H     17.07402755      4.93892238    -13.02708994
  H     16.88084181      7.47456311    -15.19993326
  O     14.66912864      6.58895881    -17.68563956
  H     16.57457943      4.97215818    -14.49235393
  H     12.07273633     10.33158749    -15.00068926
  O     15.80768204     10.21750836     -9.74448723
  H     19.69459605      9.71745502    -14.85876920
  H     12.98750422      9.09036744    -14.88806268
  O     15.33483275      7.84924232    -12.50270486
  H     19.41651623      9.56868237    -13.32680108
  H     16.69244782      7.90753498    -11.39644144
  O     20.00242937      6.36925524    -14.27859011
  H     15.10076303      7.41127617    -17.98622771
  H     17.96185295      8.78461309    -11.19517286
  O     13.86948082      5.58744752    -13.24707917
  H     14.25262914      6.19989410    -18.44934175
  H     13.68005309      7.13404286    -16.14668236
  O     19.45490873      6.11446314    -16.91158624
  H     15.17965480     10.31404135    -10.47213640
  H     13.39212064      6.74101834    -14.67819388
  O     16.81253950      5.85966362    -16.05743722
  H     16.28010083      9.39243581     -9.90130509
  H     16.93938485     11.58376021     -9.78283616
  O     18.48705042      5.64350500    -11.93196386
  H     14.76189758      7.08911380    -12.65089266
  H     17.60027989     12.86853529     -9.23655797
  O     19.65614164     10.85708032    -16.26759939
  H     15.85456718      7.98563700    -13.31131722
  H     17.97413802     10.81611090    -12.36420285
  O     16.87811254      8.30191566    -14.70008155
  H     19.53272861      6.03451076    -13.50734880
  H     18.76426683     10.94284327    -11.08136146
  O     12.91807984     10.03815273    -14.67095508
  H     19.97519668      7.33479308    -14.20026557
  H     15.81337817     11.55112386    -12.58728420
  O     17.48892386      8.01529567    -10.85087864
  H     13.30810775      4.95772137    -12.80388940
  H     16.87742793     12.38008765    -11.81247228
  O     13.23466857      7.42350335    -15.34148579
  H     14.73622629      5.15818636    -13.37049285
  H     19.04801047      9.40939179    -17.39919891
  O     17.58672403     12.28187882     -9.98740725
  H     19.70994152      6.15060014    -15.97162367
  H     19.02758546      7.87174548    -17.58821703
  O     18.68740606     10.38975757    -11.86498898
  H     20.09256556      5.55725453    -17.34938444
  H     14.71368522      9.48492153    -12.30270215
  O     16.62865515     12.06271400    -12.68947810
  H     17.66670930      5.86906626    -16.50809092
  H     13.77687963     10.46432355    -13.00080121
  O     18.66872295      8.69900803    -17.92909156
  H     16.11094362      6.01311562    -16.70335502
  H     17.21824268     12.25275636    -14.45780286
  O     14.40516895     10.40418896    -12.27187020
  H     18.86831592      5.09719792    -11.24772246
  H     16.69056072     11.58071761    -15.72867652
  O     17.43573139     12.09360787    -15.38454568
  H     18.19406772      6.45950420    -11.49684981
  H     16.89996578      8.79576411    -18.29279914
  O     15.93337992      8.84834070    -18.32985796
  H     20.26755731     11.48692738    -16.63908481
  H     15.67796429      9.48158290    -17.64637455
          69
 Energy    -249.56894569941034     
  O     11.71104974     10.09351550    -14.95299764
  H     12.21767965      9.44309662    -15.46140034
  H     14.85031970      5.47982227    -15.74939455
  O     16.35550710      6.58666967    -13.21971488
  H     12.16626466     10.93062421    -15.08903655
  H     19.04701481      7.65434145    -13.70612852
  O     17.14370099     11.90129686    -12.64228582
  H     17.27765265      6.72777090    -12.97371738
  H     19.80684436      6.59344484    -12.88045626
  O     17.50306862     10.76958437    -15.09351219
  H     15.80118906      6.68803366    -12.43403438
  H     15.94874999     12.39896783    -17.68896690
  O     12.97148545      5.61191888    -15.52066520
  H     17.42122576     11.59567879    -11.77099076
  H     15.54380451     10.94909633    -17.33466365
  O     15.34155368      9.90018146     -9.04679098
  H     16.18743939     11.75790598    -12.67117188
  H     15.79732107      8.14447969    -13.97582195
  O     14.58677732      7.03834606    -11.13931364
  H     17.48532048     11.23168123    -14.23990212
  H     16.22248263      9.46737219    -14.68285901
  O     14.47731856     11.12803615    -13.00023470
  H     16.96027292     11.26681921    -15.71360885
  H     11.31214155      9.33635744    -13.43131327
  O     17.27182914      7.20888431    -17.33071081
  H     12.80772163      5.83842347    -14.58692005
  H     10.18514561      8.93322373    -12.45311484
  O     16.25396500      7.17569010     -8.90288608
  H     12.32098085      4.95875002    -15.76254329
  H     18.64834781      7.92867363    -11.16711573
  O     18.85863472      8.37544800    -15.26275622
  H     14.56655210      9.86269571     -9.62245924
  H     18.23825757      9.14102065    -10.28817552
  O     15.80949714      5.57557080    -15.74271154
  H     15.56725772      8.98358605     -8.84550862
  H     13.21696762      6.44281194    -12.30540301
  O     19.07431785      7.20335854    -12.84303897
  H     15.09149615      6.94797489    -10.32152628
  H     11.98504652      7.18609021    -12.85774405
  O     15.61801996     11.85451064    -16.97896846
  H     14.20878942      7.92932338    -11.12834056
  H     18.06126455     11.49510529     -9.36069695
  O     15.46242724      8.95999071    -14.36915160
  H     14.05722414     11.66074412    -13.68436451
  H     16.81133430     10.64147206     -9.66941922
  O     11.12438209      8.86209401    -12.60172996
  H     14.78019957     10.31647820    -13.43947911
  H     16.10898279      8.65409198    -17.73052765
  O     18.34128468      8.18087852    -10.28846600
  H     17.65337890      6.68378371    -18.02979720
  H     14.62980883      8.94642986    -17.42545248
  O     12.52080589      6.39151585    -12.97190707
  H     16.72956066      6.60277665    -16.79417799
  H     13.76209364     10.20843110    -11.65971387
  O     17.67186957     10.92912036    -10.02282830
  H     16.55438604      6.63960992     -8.17477035
  H     12.51460767      9.33997933    -11.42479625
  O     15.41891951      9.31903732    -17.84349862
  H     17.04879449      7.47556628     -9.38207137
  H     13.18664284     13.30312697    -15.44476329
  O     13.37036417      9.57065121    -11.04388440
  H     18.38517303      7.95114492    -15.98820248
  H     14.18204255     12.21666402    -15.90333977
  O     13.44118945     12.39429325    -15.30250192
  H     18.53803266      9.28810383    -15.23659483
  H     13.23337918      7.37297875    -16.05690297
  O     13.45035431      8.30680162    -16.16168166
  H     16.03878035      5.80952714    -14.83173288
  H     14.15171568      8.50517292    -15.52020533
          69
 Energy    -249.56849284761995     
  O     19.97918049      8.60976268    -14.92857559
  H     20.57486452      8.11580937    -14.35358913
  H     16.18502283      9.00029239    -14.30835658
  O     21.54187363      7.34847303    -12.86367648
  H     19.81681125      9.44402034    -14.47172365
  H     18.46869862      6.22878863    -13.02207934
  O     15.62855720      9.34338676    -10.44788370
  H     21.11895302      7.91488987    -12.19467808
  H     16.94443157      6.02525756    -13.02538230
  O     13.50586171     10.21242720    -14.12264095
  H     22.48216455      7.40722059    -12.71559979
  H     14.66722335      5.88110169    -13.93983031
  O     17.95063433      7.62108112    -16.45874791
  H     14.97331365     10.01318401    -10.68351357
  H     14.70010705      7.37886007    -14.36115587
  O     11.74505976      7.97767453    -13.90764300
  H     15.20045910      8.48517546    -10.59007852
  H     17.23297793      9.14516080     -9.62591113
  O     18.05134016      6.19932606     -9.97850689
  H     12.80088775      9.55250393    -14.14791710
  H     18.15468494      9.33795615     -8.40339153
  O     14.19066153      7.06812864    -11.09435253
  H     14.24319220      9.82527430    -14.61075842
  H     19.73828499      4.61448987    -12.69652441
  O     15.57378039      4.88685205     -9.98136150
  H     18.20005822      7.74032459    -17.37236758
  H     20.58413901      5.81079427    -13.24780052
  O     16.39118319      2.92820748    -11.65207729
  H     18.69085661      7.96040054    -15.92500108
  H     13.62692739     10.76872021    -12.46467933
  O     19.09691368      3.84370624    -11.20445757
  H     12.54161326      7.41926683    -13.93323063
  H     13.31615843     11.88367391    -11.43949680
  O     15.71401202      8.71409286    -15.10584189
  H     11.09125879      7.54859396    -14.45330082
  H     20.03140435      9.80079474    -11.81104753
  O     17.63957194      6.61538449    -12.70931006
  H     18.16155164      7.06994696     -9.58380198
  H     19.59452426      9.05265451    -10.53474067
  O     14.17255932      6.71237029    -13.89970619
  H     17.89103160      6.35782315    -10.92192146
  H     19.05910878     11.71617355    -13.40403157
  O     18.12159037      8.96191584     -9.28021961
  H     14.25039886      6.91954085    -12.04694744
  H     18.44299269     10.32722576    -13.09989500
  O     19.89863503      5.17101647    -13.47502655
  H     13.34060215      7.50722922    -10.94522819
  H     16.61676959      4.59666606    -14.49379514
  O     13.63214941     10.98714605    -11.51546620
  H     16.41673206      5.32059095     -9.79080606
  H     16.07325808      3.95873122    -13.16285520
  O     20.29270335      9.10263757    -11.19686615
  H     14.98704719      5.58707415    -10.29520812
  H     17.98181385      5.76317339    -15.91379779
  O     19.28079207     10.80261647    -13.24630489
  H     16.03094286      3.57169192    -11.01403321
  H     18.78519840      4.86963399    -14.94724002
  O     15.92448191      4.65265557    -13.81638795
  H     16.04872171      2.07334749    -11.40548457
  H     12.37475857      9.50152961    -11.15833787
  O     18.02645738      4.87165840    -15.54827511
  H     18.25150019      3.40984497    -11.37415756
  H     11.69295619      8.43955852    -12.03859057
  O     11.92831409      8.64714819    -11.12453691
  H     18.89614579      4.56745337    -10.59697753
  H     16.55844107      9.39623477    -12.00808162
  O     17.09576004      9.26970743    -12.79861525
  H     16.38810691      8.33864722    -15.68522092
  H     17.38026928      8.34097124    -12.79504493
          69
 Energy    -249.56797333309592     
  O     16.70908779      4.84251586    -13.36523455
  H     15.79138189      5.07300509    -13.18141025
  H     18.18955195      5.47164628    -12.67488054
  O     16.54373930     13.35880758    -10.99048939
  H     16.81915132      4.99555108    -14.31449428
  H     18.18841969      9.77365559    -17.73115691
  O     19.33180090      9.43923004    -14.92561942
  H     17.41637948     13.10888009    -10.66015314
  H     18.71296396     11.20068875    -18.02524003
  O     15.28187523      6.78603181    -17.81073929
  H     15.91276957     12.84625132    -10.46997266
  H     16.40223408      8.14114874    -13.84525856
  O     17.29489861     10.15679341     -9.20913883
  H     18.49594490      8.96261815    -14.78975958
  H     16.44813197      9.03642324    -15.11462131
  O     15.52546083      8.01648296    -12.23867151
  H     19.20899581      9.94593922    -15.73630259
  H     13.58688912     10.11912458    -13.94767990
  O     16.66590559     11.81849955    -13.26580426
  H     15.82799540      6.29041686    -17.17602952
  H     14.26029906     10.24372566    -15.32380634
  O     20.33464641      6.84363000    -14.73311890
  H     14.93876752      6.14857212    -18.43350895
  H     18.45971897      7.38804952    -11.44374231
  O     14.03172823      5.85638158    -13.15114636
  H     17.56042130      9.38142112     -9.71948695
  H     17.08829777      8.09617916    -11.44335109
  O     19.49370638      6.10704232    -17.19122506
  H     17.95104647     10.83832940     -9.40241476
  H     14.04305619      7.10761436    -16.29988748
  O     17.01771651      5.80516862    -15.94621104
  H     15.02221480      8.84184376    -12.20639529
  H     13.46278606      8.10337315    -15.27059539
  O     19.03141198      5.84429572    -12.35735532
  H     14.92298512      7.29016829    -12.44009052
  H     19.14073790     11.60672575    -11.05083278
  O     18.40003594     10.63441301    -17.32533274
  H     16.57269589     12.51731548    -12.60210826
  H     19.92888465     12.48232425    -10.04985893
  O     16.84919057      8.26471763    -14.69202102
  H     17.45002156     11.31560311    -13.01042670
  H     19.27582270     10.18058878    -13.27077114
  O     13.50431146      9.84831754    -14.86971248
  H     20.16418151      7.79558543    -14.75528945
  H     18.66832851      9.64154085    -11.94414699
  O     18.00256348      8.17577135    -11.12755940
  H     19.93060350      6.51050633    -13.92320590
  H     15.71865106     10.90436243     -9.41679975
  O     13.57294269      7.15907699    -15.46293674
  H     13.84878911      6.27552576    -14.01275375
  H     14.43435961     11.48705032     -8.78177461
  O     19.05553922     12.15837301    -10.25411029
  H     13.22265234      5.43584984    -12.87400528
  H     16.91015672      7.81014880    -18.20676301
  O     18.97757711     10.44386258    -12.39054237
  H     20.14024083      5.56457443    -17.63409858
  H     18.40640350      7.48927098    -17.97933899
  O     14.90541008     11.40546745     -9.60661488
  H     19.87387424      6.34924103    -16.32712518
  H     15.15433748     10.97691684    -12.63386592
  O     17.79870397      8.17852877    -18.27521993
  H     17.87975933      5.75684668    -16.37795939
  H     14.38849675     10.81974596    -11.30735798
  O     14.39975316     10.52641318    -12.22699822
  H     16.97083269      6.67120127    -15.50654672
  H     16.26829629     11.24789400    -14.94338810
  O     16.04378803     10.73852374    -15.73733381
  H     19.47705241      5.14251860    -11.88841169
  H     16.77943732     10.83610924    -16.35276430
          69
 Energy    -249.56778741455850     
  O     15.28291651     12.06030686    -13.63694472
  H     16.24523487     12.08593754    -13.55212454
  H     11.43049789      7.32999628    -16.81395115
  O     13.75401137      7.35270703    -14.11933580
  H     15.03074841     12.25451739    -14.54996938
  H     16.53952494      9.22419774    -14.35555990
  O     17.80939757      7.32246166    -12.42401923
  H     13.12416940      7.39837294    -14.84815392
  H     15.37495129     10.20381285    -14.03872754
  O     17.97552182      8.38964338    -16.96877171
  H     14.36669957      8.09809249    -14.22901785
  H     13.48666740     12.96896961    -11.15334432
  O     12.35926072     10.48537385    -15.49283494
  H     17.86957797      6.85971735    -11.57878601
  H     14.22896459     12.12011343    -12.21276590
  O     15.38036346      7.29293021     -8.96269883
  H     17.19976379      6.81063389    -12.97437616
  H     16.30477928      4.93048472    -10.96892734
  O     12.78649646      7.87584096    -11.61266334
  H     17.30090379      9.02775267    -17.23326308
  H     15.71678089      4.86410330    -12.39295987
  O     17.11878275      9.82591359    -11.28188327
  H     18.29384757      8.68720369    -16.10468983
  H     11.98123045      9.44999980    -12.33935591
  O     14.47236871      7.45000515    -17.75436944
  H     12.23556975      9.60297366    -15.85773851
  H     12.32181539     10.94837316    -12.27631237
  O     13.40284427      5.56817986    -10.12198305
  H     12.11310698     10.43170154    -14.55736436
  H     18.42514418      8.53931435    -13.64545080
  O     16.75075803      5.97999770    -16.72175321
  H     15.13584383      8.17785801     -9.26159792
  H     18.46045217     10.07738860    -13.93665974
  O     12.16872515      7.75665614    -16.38824914
  H     14.64409519      6.71874648     -9.20914725
  H     16.33069549      5.76045420    -14.90544955
  O     15.58494196      9.34648333    -14.42779573
  H     12.85019138      7.07555614    -11.07822061
  H     15.17666396      6.26485470    -14.01334756
  O     13.64635357     12.07216949    -11.43564798
  H     13.10932003      7.64092380    -12.49595588
  H     18.13833923      5.74774940     -9.26759087
  O     15.55382850      4.60075824    -11.47794306
  H     17.31895565      8.94630834    -11.62512269
  H     16.82848855      6.51904549     -9.55729455
  O     11.82747850     10.29365950    -12.78268225
  H     16.22358202      9.77547608    -10.92326613
  H     15.57172387      9.64834391    -16.23339037
  O     18.43140285      9.20565867    -14.34859650
  H     15.16540653      6.86057394    -17.43588996
  H     15.21670653     10.82526186    -17.12992888
  O     16.03292817      5.81226836    -13.98934792
  H     14.84624878      8.34187974    -17.72700782
  H     14.20086825     10.51672033    -10.53238010
  O     17.55287709      6.01502875     -9.97056051
  H     12.89677904      4.85141852     -9.74929046
  H     13.92434499      9.01843113    -10.78746694
  O     15.60956086      9.94751797    -17.15529784
  H     14.11829110      5.16464870    -10.64558287
  H     18.65775643     12.24711111    -12.59715360
  O     14.51342668      9.62944410    -10.32010765
  H     17.25392434      6.80750735    -16.82587564
  H     17.69479048     11.06978835    -12.28902650
  O     17.99630824     11.68296684    -12.98819171
  H     17.18140544      5.32940321    -17.27081754
  H     13.50973482     11.64312008    -15.98893752
  O     14.21731792     12.27351362    -16.22846532
  H     12.94936932      7.60438437    -16.95132140
  H     13.79670466     12.99506029    -16.68753293
          69
 Energy    -249.56768127520786     
  O     -1.44211714     -0.22552102      2.04147689
  H     -1.96979897     -0.40881778      2.83787043
  H     -1.59512031      4.11991531     -0.51094511
  O      1.44561966     -0.66538222      5.28956928
  H     -2.00010611      0.32789608      1.48334692
  H     -1.42131549      5.97907020      4.50242571
  O     -6.35544281     -1.59920834      5.53259218
  H      0.99944960     -1.46265296      4.94893076
  H     -2.20199392      4.93504934      3.67132581
  O     -5.57996774     -0.52355516      3.12690095
  H      2.33650040     -0.92122688      5.51197758
  H     -0.53504110      2.15653135      4.89333692
  O     -4.79419140     -1.05838601      0.46752804
  H     -7.29754961     -1.68686618      5.65861728
  H     -1.10002650      3.54150653      5.27623052
  O     -3.38617559      1.33060881      0.77630398
  H     -6.22901907     -1.18740978      4.66165280
  H     -3.02501558      4.37674871      1.64382866
  O     -0.92957694     -2.89639801      1.70158172
  H     -4.67772697     -0.62923090      3.47283005
  H     -4.07199943      3.88130527      2.65995564
  O      0.10178430     -2.79767922      4.37128577
  H     -5.53817908     -0.79850884      2.20454806
  H      0.21477978     -0.04615837      6.60793535
  O     -2.23932093     -2.73665734      5.81126361
  H     -5.21819922     -1.12643457     -0.38469678
  H     -0.63083483      1.22208328      6.81292980
  O     -4.53191952     -3.73617604      4.77504660
  H     -4.28424596     -0.23238692      0.45787060
  H     -0.33273204      4.23068931      2.87581135
  O     -4.82393551      2.19263029      3.02703131
  H     -2.88807447      2.08642361      0.43958325
  H      0.28535548      2.84694209      2.59945122
  O     -1.89214135      3.62029605      0.24464175
  H     -3.85669635      1.64423745      1.56318927
  H     -2.75093053     -1.30856838      4.78565282
  O     -1.41933743      5.06350761      4.23612001
  H     -1.04206379     -1.93058613      1.71970719
  H     -3.14488416      0.21272970      4.72090879
  O     -0.97977780      2.64154555      5.60415396
  H     -0.44028057     -3.10279304      0.90897139
  H     -1.68353043     -0.67432931      7.87758705
  O     -3.45372234      4.60106075      2.47827541
  H     -0.69415833     -2.87796004      4.91849612
  H     -2.17100804     -1.47558545      9.10911032
  O     -0.46442284      0.34226741      7.17291060
  H     -0.17922012     -2.95776485      3.46425586
  H     -3.97258419     -0.44026819      7.62326944
  O      0.01212491      3.66894619      2.17084987
  H     -3.04440087     -3.21302643      5.55351232
  H     -5.24296546     -0.54638850      6.73787398
  O     -3.01229069     -0.58846441      4.19841465
  H     -2.34532330     -2.38660571      6.70303768
  H     -2.80855861     -3.28588902      1.97895370
  O     -2.38125494     -1.27319033      8.20154799
  H     -4.36021298     -3.61877179      3.82851099
  H     -4.09344389     -2.60689182      1.48903205
  O     -4.67953782      0.07483934      7.21447636
  H     -5.22638741     -3.11476638      5.01906391
  H     -0.21438358      0.72542986      2.99028392
  O     -3.76651919     -3.28109903      2.09379675
  H     -4.39347273      2.18725697      3.89776969
  H      0.85370242      0.63190700      4.11061097
  O      0.36101809      1.25407833      3.56068253
  H     -5.35144950      1.38548135      3.01457046
  H     -4.00408819      1.35047439      6.18606336
  O     -3.62553018      1.83803535      5.43844847
  H     -1.15563188      3.61227235      0.88285354
  H     -2.73505746      2.14290752      5.65166975
          69
 Energy    -249.56758106764295     
  O     17.51987279      9.04142184    -14.51485625
  H     17.40440990      9.80716097    -15.08804886
  H     12.89168809      9.47702961    -13.27781465
  O     14.20368581      7.56223003     -8.89285255
  H     16.93095292      9.14489553    -13.75182923
  H     12.45801087      9.89397738    -11.04525120
  O     17.25622913     11.43901516    -15.91820916
  H     14.98528780      7.34898907     -9.43133587
  H     11.01793723     10.05685130    -11.58708458
  O     12.49339335      6.89493133    -11.07324083
  H     14.37086665      7.22420496     -8.01700675
  H     18.88505674      3.68151217    -11.29440426
  O     16.81117637      6.38218645    -14.86659099
  H     17.80158933     11.86606968    -15.23167230
  H     17.80402088      4.59456391    -11.91446425
  O     19.85470867      8.32325665    -13.32594934
  H     17.56979296     11.75275766    -16.76162217
  H     16.13965288      6.26071052    -11.22223756
  O     20.40184411     10.82143853    -12.34924836
  H     12.17433629      7.75982939    -11.35822123
  H     17.20479689      7.17006609    -10.55861736
  O     18.98698005      7.30785652    -10.83650123
  H     12.98506596      7.05226623    -10.25824267
  H     19.39108323      5.20380570    -13.35826893
  O     13.38188618      5.01351597    -12.79165086
  H     17.11658302      7.29916215    -14.82982907
  H     18.65845080      5.80681895    -14.56843475
  O     14.88782194     11.87816686    -14.39264434
  H     15.86541762      6.44286758    -15.07199978
  H     15.87877051     14.08363501    -12.35114895
  O     14.09158727      6.76601026    -14.99230818
  H     19.06000793      8.65789570    -13.77118125
  H     15.66676271     12.74630594    -13.10109245
  O     13.62195346      9.37425103    -13.90067501
  H     19.96913355      7.42135229    -13.65597082
  H     15.93114681      8.33899072    -11.77859247
  O     11.83602734      9.58925275    -11.73117334
  H     21.33470898     11.01176971    -12.28272171
  H     15.94744428      9.88330876    -11.74401156
  O     18.73242277      4.56182614    -11.62893555
  H     20.32628170      9.92809034    -12.72578699
  H     17.88546746     12.78531138    -13.23039323
  O     16.25697557      6.98005514    -10.58673158
  H     19.05377000      6.35216255    -10.95657216
  H     19.20649141     11.96924325    -13.29060120
  O     19.53120266      5.71553893    -14.16337206
  H     19.27684129      7.69461086    -11.67522259
  H     16.22237670     11.94690696    -11.06353702
  O     16.20456739     13.18994238    -12.41959706
  H     12.70390345      4.35061510    -12.89241958
  H     17.05386653     10.86989583    -10.28062339
  O     15.87034591      9.12319965    -12.33555461
  H     13.03519271      5.67653930    -12.16803684
  H     15.21183375      4.87631894    -12.60980094
  O     18.59358642     12.49403146    -13.81879724
  H     14.36457673     11.06975193    -14.32788773
  H     16.42457796      5.49826946    -13.35365513
  O     16.15714018     11.16934027    -10.49425899
  H     15.57421964     11.71224948    -15.05095559
  H     19.29961582     10.46772261    -10.82997261
  O     16.16340057      5.02823173    -12.54609850
  H     13.73606252      6.18641540    -14.30888887
  H     18.81777789      9.16989811    -10.17017319
  O     18.68639376     10.12454427    -10.16787562
  H     13.84807193      7.66497003    -14.73571049
  H     14.47584355     10.63103971     -9.94685345
  O     13.62004894     10.21088872     -9.78759022
  H     14.40975158      9.23853010    -13.35075560
  H     13.81367175      9.36721835     -9.36069662
          69
 Energy    -249.56703891945131     
  O     11.04577546      9.68679335    -12.31299286
  H     10.31881321     10.26618936    -12.09639436
  H     17.10958439      6.05710996    -16.42884491
  O     14.37284633      6.89363574    -15.05635281
  H     11.62617008     10.18499309    -12.91009715
  H     19.62594049      6.03956521    -15.89184436
  O     16.72887275     11.15532291    -10.56477515
  H     14.95877504      6.53732834    -15.73915063
  H     18.75690672      7.31761840    -15.86969353
  O     18.47687652      8.90476080    -16.54495064
  H     13.72064618      7.47889196    -15.46165067
  H     15.82195998     11.59329116    -15.35366554
  O     12.40756302      8.73053191    -15.75554869
  H     17.01335118     10.44344642     -9.97630608
  H     15.15740721     12.85567805    -15.94720253
  O     15.36379710      7.27260566     -9.58587528
  H     17.44824390     11.28127867    -11.19506355
  H     15.41758202      8.03089200    -14.19494775
  O     13.41480500      6.08563646    -12.62673060
  H     18.16528520      9.62705360    -15.98683771
  H     15.51642948      9.06735202    -13.01490684
  O     14.60456097     10.11690792    -11.90738597
  H     17.83024609      8.81767376    -17.25790894
  H     18.61568029      8.61793972    -10.61230714
  O     16.43738776      8.44856891    -18.46222726
  H     12.60302277      9.46715873    -15.15966822
  H     18.74408599      7.84170299    -11.94128944
  O     15.89074545      5.20592992    -11.47645215
  H     11.79824747      8.15682483    -15.26866795
  H     11.65004074      6.68144295    -13.41159930
  O     17.26988905     10.74796240    -14.73856727
  H     14.47911534      7.57781336     -9.82030266
  H     10.87953726      8.00680854    -13.28038618
  O     16.25031761      6.09843608    -16.86484044
  H     15.54935458      6.51915261    -10.16021774
  H     19.72882408     11.55555370    -12.35612630
  O     18.81239597      6.39932558    -15.54808652
  H     14.15741855      5.63939818    -12.20397755
  H     19.01859381     10.19634258    -12.16299601
  O     14.98357714     11.95366999    -15.68918134
  H     13.73057524      6.31266875    -13.51557904
  H     17.13974702      7.34568308    -13.16310271
  O     16.02260616      8.58351737    -13.68120058
  H     15.28970850     10.54190239    -11.37223351
  H     18.18212598      6.40413357    -13.79988756
  O     19.08485102      8.60325326    -11.45677291
  H     14.12439621      9.47191379    -11.37310749
  H     17.74443703      8.76183971     -8.18426342
  O     11.01558033      7.24965036    -13.86371072
  H     15.66175843      8.94360821    -18.14361363
  H     16.72865568      8.28150593     -9.24541208
  O     18.89459068     11.11006956    -12.47893878
  H     16.42859702      8.51063840    -19.41359443
  H     13.56790949      9.41269351    -17.06721273
  O     17.74008161      6.60751420    -12.96633579
  H     16.18884999      4.31578444    -11.30574414
  H     14.54091736     10.60422339    -16.96087009
  O     17.51014812      8.84510348     -9.10470098
  H     16.58059695      5.63327088    -12.01131713
  H     13.08857414      7.42345589    -11.45597483
  O     14.32512083      9.83142888    -17.49621485
  H     17.86810328     11.00549992    -14.02618388
  H     12.21149555      8.65897624    -11.14411039
  O     12.96920815      8.15362972    -10.82791532
  H     16.82844864      9.93912726    -14.43027286
  H     13.54571997     11.35783355    -14.57497579
  O     12.99921787     10.84876746    -13.96545825
  H     16.30977531      6.82702439    -17.49668639
  H     13.58094628     10.64221841    -13.21530003
          69
 Energy    -249.56681282622009     
  O     16.48187623      9.84268246    -17.28627810
  H     15.69266701     10.37696722    -17.14668744
  H     21.38079854      8.95273588    -16.90082774
  O     16.52021095      5.76624495    -12.13029096
  H     17.25977938     10.39537254    -17.10949105
  H     16.09776062      8.72964987    -14.36095872
  O     17.63244514     13.73254974    -11.84070738
  H     16.08209183      5.02593316    -11.71563202
  H     16.74043860      8.85153446    -15.77122084
  O     19.41697445      8.29047636    -13.99081203
  H     16.31179964      5.71459613    -13.07695230
  H     14.45428275     11.57271282    -15.69376703
  O     14.29454960      6.27880547    -16.83173846
  H     18.01615009     13.20177363    -11.13041150
  H     13.68564680     11.94564337    -16.98111912
  O     15.80477922     11.00750300    -10.00655660
  H     16.67734102     13.67608517    -11.71668123
  H     16.30391239      7.53817225    -11.44651609
  O     14.64489063      9.30835638    -13.40593606
  H     18.50437425      8.32248285    -14.31988213
  H     15.52951089      8.75784784    -11.99109834
  O     17.93397068     11.84136767    -13.83080725
  H     19.97555616      8.53041607    -14.73982683
  H     13.53402255      7.89418323    -16.12290437
  O     19.25635909      5.65326809    -13.10902836
  H     14.90018429      5.97552781    -16.13620339
  H     13.42313784      9.44376427    -16.09464792
  O     18.69536477      4.56055638    -15.52950502
  H     13.76086388      5.52632893    -17.07721079
  H     18.68269983     11.05523581    -10.66042869
  O     16.22875160      5.73328783    -14.91763324
  H     15.84046362     10.08609107    -10.29072866
  H     19.30070130     11.67479195     -9.38514282
  O     20.54443578      8.93437761    -16.44426088
  H     16.71817591     11.26826143     -9.83089852
  H     19.01773494      9.28033868    -12.55973590
  O     16.81549962      8.40347426    -14.91796937
  H     14.76411892     10.25486094    -13.55868804
  H     17.72742564      9.34067535    -11.69286049
  O     14.13606990     11.22682135    -16.54442084
  H     14.02451108      8.98890234    -14.07829337
  H     15.10179951     12.28792827    -10.97472724
  O     16.16279246      8.48142216    -11.30901299
  H     17.93661897     12.62869154    -13.26645941
  H     14.14439474     13.49891348    -11.06495851
  O     13.19887541      8.63982588    -15.61039999
  H     18.13529424     11.10066452    -13.24570027
  H     18.25118647      6.93360918    -17.72887040
  O     18.56373045     11.74681632     -9.98587341
  H     19.43695657      6.57288583    -13.35367443
  H     19.02939320      6.02369218    -16.75017085
  O     18.53632263      9.82136565    -11.91923711
  H     18.43853408      5.67085644    -12.59952432
  H     16.13981844     11.90924810    -14.11409010
  O     14.82412791     13.02988269    -11.54140919
  H     19.10979519      3.71345128    -15.66854085
  H     14.93946802     12.41647622    -13.27414323
  O     19.10753802      6.81543579    -17.29176544
  H     18.99477315      4.88404001    -14.66078550
  H     18.54986876     11.44878735    -15.56547817
  O     15.17264697     11.95806962    -14.09195169
  H     16.99795382      5.22898901    -15.21407193
  H     19.39984969     10.48430808    -16.44088457
  O     18.70729731     11.15537891    -16.47282525
  H     16.47069017      6.67217494    -14.98324712
  H     15.77630196      6.90340265    -17.96466561
  O     16.58260384      7.28166811    -18.32956571
  H     20.04160881      8.18231818    -16.80987942
  H     16.53581043      8.22771928    -18.12556315
          69
 Ord_Energy   -249.566116    
 O    3.37304425       2.27421880       5.09787416    
 H    4.14219999       2.54930973       4.58380175    
 H    2.99622846       1.52609456       4.61883211    
 O   -1.95191514       2.14551663      0.554018974    
 H   -1.20821583       1.87051737       1.10419500    
 H   -2.72464609       2.19422007       1.13115215    
 O    2.42953491      0.203406498       3.31185865    
 H    3.01157141      0.579520822       2.62665296    
 H    2.62400413     -0.729008615       3.35679340    
 O   -2.04832625       4.34565258      -1.01250362    
 H   -2.26966572       4.09617758      -1.90567458    
 H   -1.97472584       3.51845694     -0.500831604    
 O   0.199797109       5.50141954      0.203023195    
 H  -0.507737935       5.19278669     -0.375472754    
 H  -0.209048614       5.59029484       1.07732785    
 O    2.16108298       7.15897131       1.52400959    
 H    1.62822580       7.64942169       2.16427684    
 H    1.54465187       6.75142097      0.902677715    
 O  -0.908474207       5.85171509       2.72285652    
 H  -0.361451864       6.57941341       3.04537606    
 H   -1.82505548       6.15186691       2.75646377    
 O    3.95405793       1.52739167       1.48552561    
 H    4.55961657       2.07668376       2.00023341    
 H    3.33255315       2.14194417       1.07278621    
 O   -4.26303530       2.60760570       2.14086246    
 H   -5.01340008       2.02440095       2.21573973    
 H   -3.96695542       2.80213857       3.04796529    
 O   -1.85254586       7.35073805       6.19682646    
 H  -0.917439222       7.12445116       6.26026535    
 H   -1.91374397       8.05947304       5.54422474    
 O    3.23495603       5.08611631       2.94142842    
 H    2.66112113       4.95880985       3.70771313    
 H    2.94994187       5.88068867       2.46614289    
 O   -3.35544658       3.24677014       4.59775257    
 H   -2.38950801       3.25087690       4.54067612    
 H   -3.60576940       4.08949947       4.99367809    
 O   -4.01020813       5.84161568       5.54115248    
 H   -4.70846033       6.00728846       6.16948462    
 H   -3.22458696       6.31689548       5.86489582    
 O   -2.09947896       9.09082699       3.91670251    
 H   -2.52935839       9.92472744       3.74595237    
 H   -2.64387584       8.40272045       3.49578738    
 O    1.99169290       3.50971270      0.967431486    
 H    1.40208268       4.14072180      0.534580171    
 H    2.44574547       4.00933504       1.65997255    
 O   0.983375072       6.89421892       6.12893772    
 H    1.54745114       7.14961004       6.85479498    
 H    1.25599873       5.99790668       5.86753798    
 O   -3.97887373       5.18574858      0.967142761    
 H   -4.16353178       4.31476259       1.34239376    
 H   -3.36352324       5.03221035      0.241016731    
 O   0.306553185       1.69225085       2.19399691    
 H   0.876031339       2.31968451       1.72223341    
 H   0.897576988       1.05516064       2.61176944    
 O    5.29958010       3.33292365       3.23305178    
 H    6.15643120       3.74902105       3.27292633    
 H    4.64818525       4.04462337       3.10185027    
 O    1.67862773       4.42858171       5.21198225    
 H   0.839135110       4.06397438       4.89556503    
 H    2.28359222       3.68019152       5.32088280    
 O   0.518518507       8.09444427       3.61921620    
 H   0.759294808       7.79115343       4.50492048    
 H  -0.306811422       8.59067822       3.69617605    
 O  -0.635000765       3.48456717       4.07491589    
 H  -0.762545526       4.29714298       3.56133556    
 H  -0.348429680       2.79756546       3.45736861    
 O   -3.49936867       6.93026495       2.97935414    
 H   -3.81398964       6.50695515       3.78859210    
 H   -3.77695870       6.38758802       2.22440314    
          69
 Energy    -249.56604506209868     
  O     12.23048590     12.19759608    -12.04384888
  H     12.27651924     11.24564621    -12.24223462
  H     18.60014404     13.79192729    -15.97132448
  O     19.99263131      7.79928357    -10.66246030
  H     11.31602434     12.39819221    -11.86162565
  H     13.29297265      9.63551952    -15.84964673
  O     17.55346562     11.35201316    -11.67631887
  H     20.34290354      8.25140607    -11.45149981
  H     13.96928594      8.47077768    -15.11735437
  O     16.13337872      7.18580119    -11.95301912
  H     20.74146352      7.58949571    -10.11094331
  H     15.51468854      9.82306376    -13.69684518
  O     13.70483348      7.73982640    -10.76122548
  H     17.37261697     12.22723305    -11.31545208
  H     14.97558964     11.29512710    -13.62255683
  O     18.63901336      6.06760609    -12.53138539
  H     16.76389165     11.09092284    -12.18107074
  H     13.86336754     11.84550876    -15.84693777
  O     13.91238426     12.69131660    -14.30206969
  H     16.63058598      7.82686176    -11.42770404
  H     13.45927776     11.72027624    -17.33411149
  O     18.14310561      9.08589080    -15.46958180
  H     15.24181191      7.18095502    -11.57708597
  H     15.94370046      9.44827113     -9.47148565
  O     17.50172339      9.01823858    -10.27262540
  H     13.20210942      8.26051757    -11.40112937
  H     15.08015567      9.60077231     -8.20298937
  O     16.80448222     11.29495919    -16.65652701
  H     14.05323848      8.38224895    -10.13104547
  H     20.64606734      8.27586532    -13.66887673
  O     19.82608594      6.94798197    -14.80738281
  H     17.70593960      6.26465440    -12.37391908
  H     20.42999598      9.75185951    -13.27541620
  O     18.17526871     13.21583433    -15.34093152
  H     19.11987121      6.50196747    -11.81650227
  H     16.85054128     13.89821523    -14.15095645
  O     13.10538004      8.87316125    -15.28967459
  H     14.61999009     13.32265210    -14.09277615
  H     16.30852087     14.13011888    -12.71235623
  O     15.40265470     10.59096291    -13.11908752
  H     13.28631495     12.68017550    -13.56946238
  H     15.75236756     13.33769520    -10.56670777
  O     13.93851528     11.28065188    -16.63562838
  H     18.51163192      9.76448955    -14.88593955
  H     16.71924163     14.48718060    -10.18867522
  O     15.06803015      9.71989492     -9.15065359
  H     18.72820799      8.32147696    -15.39668569
  H     14.56419782     11.44217951     -9.84099692
  O     20.83638598      8.92590439    -12.98121076
  H     17.60508116      9.86469908    -10.73447933
  H     13.63303740     12.30310519    -10.73813591
  O     16.07502819     14.17498058    -13.64714492
  H     18.36717344      8.59133014    -10.27328509
  H     19.04565923     11.86987446    -14.35509131
  O     16.55488863     13.81648434    -10.84547322
  H     17.18444766     10.43751171    -16.42693042
  H     18.71761875     11.17720840    -13.01869751
  O     14.39972166     12.33986166    -10.15474819
  H     15.84832985     11.18496407    -16.70984718
  H     12.70229341      9.30485266    -13.57746515
  O     19.24657419     11.08916760    -13.82533271
  H     19.36950320      6.56197193    -14.03796995
  H     13.73389241      9.89658334    -12.60763161
  O     12.80777583      9.61894371    -12.66679306
  H     20.23249775      6.22537454    -15.27768843
  H     16.56733386      8.41468318    -14.89244279
  O     15.70858560      8.20612633    -14.50110120
  H     17.65497040     12.57252420    -15.85700594
  H     15.86757824      7.75179280    -13.66141155
          69
 Energy    -249.56596120325349     
  O     16.44017180     -4.49017520     11.85230956
  H     15.89328804     -3.75748398     12.16122792
  H     15.34455264     -6.08874671      7.68885942
  O     12.36240163     -6.72576565     12.98130670
  H     16.72468486     -4.24614300     10.96296069
  H     10.85426409    -11.04779216     11.38249495
  O     13.17251365     -5.22177748      9.76085352
  H     13.24746501     -6.72417416     12.58522485
  H     10.97160887    -12.41636378     10.66668165
  O     14.96118991     -1.84780407      9.72460288
  H     12.30572005     -7.53377237     13.50527959
  H     10.71749763     -9.67811380     13.12227218
  O     12.84002156     -8.14967952      6.92365557
  H     13.77852061     -5.12207364      9.01688549
  H     10.04083713     -9.02759523     11.90397511
  O     12.18796084     -9.29024579      9.37657413
  H     12.27799250     -5.31465357      9.41137028
  H     14.88981094     -8.15802160     10.71892967
  O     15.45176050     -7.95284247      7.54526913
  H     14.77631611     -1.91736313     10.66965495
  H     15.19348168     -8.69896686      9.30235746
  O     11.07638657     -5.98471032      6.37526327
  H     14.11011055     -1.81872064      9.27099413
  H     11.20805475     -7.18005734     11.57505003
  O     12.44519619     -1.80491138      8.39401333
  H     12.22499910     -7.44591191      6.68821619
  H     11.19328688     -8.10722449     10.32397911
  O     14.55444468     -2.39044356     12.48943628
  H     12.47198661     -8.59220773      7.70146273
  H     12.88976364     -9.75710674     13.48435848
  O     16.93661921     -3.58281200      9.15699633
  H     13.10125072     -9.17295387      9.67717889
  H     12.54904379     -9.62723583     14.98756507
  O     15.10959364     -5.15475503      7.75171504
  H     11.89459327    -10.14843902      9.70626818
  H     12.24436651     -4.84519333     12.64110735
  O     11.41839643    -11.58490565     10.79699891
  H     15.98594373     -8.39978773      6.89362307
  H     12.70367246     -4.33191273     11.26696622
  O     10.08616934     -9.84848580     12.41144218
  H     14.52475425     -8.03182390      7.25041758
  H     14.26123753    -10.14734603     11.54120869
  O     14.84254820     -8.95234438     10.16387724
  H     10.55876767     -5.90225629      5.57882725
  H     13.05192480    -11.09118633     11.71195388
  O     10.64656971     -7.51525420     10.86252370
  H     11.70185391     -5.23666445      6.38473393
  H     15.41443380     -5.96359073     11.75705863
  O     12.31644511     -9.29733331     14.12378393
  H     11.79845388     -2.15647818      9.03040973
  H     14.17016878     -6.18197593     10.86519833
  O     12.39990620     -4.03499976     12.14048947
  H     12.09523265     -0.97355616      8.08255153
  H     12.72086328     -3.21504186      7.15002660
  O     13.73345756    -10.61366708     12.20155583
  H     14.48366726     -1.83358385     13.26045316
  H     13.73098917     -4.33961430      6.82696130
  O     14.72300659     -6.60441500     11.54144015
  H     13.75337399     -2.94062887     12.46598519
  H     10.50639736     -5.72624430      8.14207586
  O     12.87062703     -3.97616398      6.57615872
  H     16.25395238     -2.90349855      9.31514387
  H     10.35045380     -6.19532968      9.63876110
  O     10.44971782     -5.42756982      9.05764689
  H     17.72804312     -3.12211933      8.89160391
  H     11.09304912     -3.12568401     11.00732469
  O     10.68818193     -2.88748303     10.16507152
  H     15.83409041     -4.68550025      8.18576373
  H     10.43327205     -3.72806662      9.75615332
          69
 Energy    -249.56584089651099     
  O     18.69923312     10.13327423    -10.78822831
  H     19.41005403      9.48217247    -10.84525394
  H     14.71419840     11.11893341    -10.60350623
  O     14.28060228      6.28201865     -8.91096238
  H     17.97933439      9.68814876    -10.31223088
  H     20.20655293      6.10531691    -13.38684088
  O     18.49883625     11.92753757     -8.62469981
  H     13.78332890      5.46734212     -8.90752801
  H     19.25160677      5.39889374    -12.40143887
  O     12.92909799      8.52360094    -10.20295323
  H     14.85031496      6.25842819     -9.69915494
  H     16.26970026      7.41991393    -10.53730905
  O     17.19027379     10.08064765    -13.10947168
  H     18.90388367     11.39015622     -7.93142529
  H     15.89346423      6.83921587    -11.92094973
  O     20.42886352      7.95593752    -10.82958685
  H     18.65780914     11.45263703     -9.45083200
  H     20.50642488      8.19071662    -13.96973092
  O     20.29490803      8.04523139     -8.01911734
  H     13.39502488      9.31638016     -9.90334428
  H     22.02761611      7.90685919    -13.99459786
  O     18.67009802      5.76448887    -10.64277045
  H     13.29079285      7.79423026     -9.68960214
  H     17.55657842      9.84481867     -6.35336919
  O     13.51004880      9.11185244    -12.86818929
  H     17.76221873     10.16190264    -12.33244438
  H     16.23317638     10.50911347     -6.75981773
  O     15.94621130     12.18379463     -7.77060392
  H     16.43279730     10.65760614    -12.95669727
  H     18.58058735      8.01962559    -15.06051464
  O     14.78169106     11.44593974    -12.45510444
  H     19.80455156      7.21652984    -10.79605900
  H     18.45762170      9.35829267    -14.30260193
  O     14.63296586     10.72513534     -9.72482436
  H     20.84327580      7.92344858    -11.70044711
  H     15.89738279      9.47153078     -9.60380671
  O     19.50294022      5.44649114    -13.33282690
  H     19.82329885      7.21467821     -7.88448361
  H     16.67628521      8.47086039     -8.68679574
  O     16.04669670      6.59493444    -10.99878447
  H     20.50005279      8.08435341     -8.96207446
  H     19.74918737      9.40228220     -7.10643990
  O     21.23072166      7.73999132    -13.49902917
  H     17.74174349      5.97352933    -10.81978319
  H     20.03876629     10.34169040     -5.91414864
  O     16.59917807      9.70848494     -6.36922928
  H     18.73090759      5.60384985     -9.69345544
  H     16.32961455      8.47055910    -13.37642392
  O     19.08163695      8.79484544    -14.77827713
  H     14.17030973      8.48265103    -13.18372010
  H     16.36369524      7.13333045    -14.16063161
  O     16.63279062      8.84288619     -9.57370497
  H     13.21639233      8.80320944    -11.99811748
  H     17.85294650      6.19416488     -7.57145866
  O     19.39855312     10.15349574     -6.59532241
  H     15.83123101     13.02126945     -7.33009340
  H     18.76672959      5.01203866     -7.16987407
  O     15.84525716      7.64529027    -13.52816905
  H     16.86009323     12.16543471     -8.10924771
  H     16.33519673      7.99566674     -6.78542543
  O     18.66440581      5.71220883     -7.80943807
  H     14.37296744     12.16839618    -12.92400474
  H     15.57519029      6.90978998     -7.65175329
  O     16.42049430      7.14956070     -7.25188808
  H     14.25976511     10.64596055    -12.65747558
  H     18.30437011      5.91935923    -14.51610012
  O     17.68499879      6.30863439    -15.15929661
  H     14.98666141     11.34433253     -9.07277548
  H     17.64644840      5.71228741    -15.90187345
          69
 Energy    -249.56562408574328     
  O     17.88616513     11.70746951    -12.63606106
  H     18.33719829     12.51298264    -12.39954397
  H     16.76132752      6.40711587    -18.02489397
  O     14.71801921      6.85072680    -15.14061931
  H     17.87337483     11.14561982    -11.83864081
  H     19.45299276      7.52450865    -11.82075632
  O     14.61297322      6.15845595    -10.55076508
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  H     14.62009538     11.33766233    -13.12345070
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  H     16.10354618     11.77276232    -13.31062959
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  H     11.46267343      5.77948695    -11.59417756
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  H     14.81590980     11.27546110    -15.32653650
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  H     14.29719295     11.66291692    -16.73162070
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  H     13.48911341      8.13801194    -15.10862855
  H     12.90698223      6.43074212    -10.01365812
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  H     14.58174454      9.31073115    -11.41791039
  H     19.60495481      6.89204071    -14.22313747
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  H     18.02919251      6.02338826    -15.84404909
  H     21.00286358      7.40140352    -13.80247869
  O     14.09385998      5.07223196    -13.09631474
  H     18.06791728      5.32647482    -14.46875111
  H     13.24746014      9.68275265    -13.31079034
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  H      9.86726704      7.98323407    -14.45090648
  H     12.56109740      9.86289801    -11.93947505
  O     20.06914077      7.54332479    -13.66810727
  H     11.38266034      8.25595064    -14.34399810
  H     18.35565117      9.25060445    -10.61324032
  O     13.35387957     10.09619360    -12.44442274
  H     16.83989136      6.13626920    -13.10545937
  H     16.87916669      9.68521982    -10.54001489
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  H     15.96578637      4.86483186    -13.08571241
  H     19.06730641      9.04465476    -14.15337501
  O     18.34790957      9.62432409    -14.43587154
  H     16.78028701      7.60127090    -17.03809730
  H     18.30594933     10.38401302    -13.84013344
          69
 Energy    -249.56539596954826     
  O     -7.95843616      2.82555169     -0.81093608
  H     -7.77745672      3.43650348     -1.52246234
  H     -7.99934249      0.15337582      3.59618194
  O     -3.34904900      1.91970515     -3.77288855
  H     -8.01179986      1.94871650     -1.21881626
  H     -4.21551718      0.82603640      4.11823147
  O     -6.44036640      2.47814953      1.46856292
  H     -3.42667387      1.71969365     -4.70249652
  H     -4.47165294     -0.46969243      3.32141737
  O     -3.93191078     -1.25236087      1.77408879
  H     -4.04043437      1.40357624     -3.32851509
  H     -0.98226815      0.60095903      2.08925204
  O     -1.25143344     -0.83134979     -1.43420894
  H     -7.02477575      2.67541077      0.72282887
  H      0.11708282      1.68361977      2.21440293
  O     -5.16360746      0.42803509     -2.30281053
  H     -6.86280611      1.79458284      2.00284449
  H     -2.92374807      3.41790769      1.01033570
  O     -5.28652147     -3.04764736      0.13108558
  H     -4.37344716     -1.98676855      1.33208615
  H     -1.70875913      2.46245161      1.13285488
  O     -3.79467438     -1.99146282     -1.85413465
  H     -4.09078164     -0.46738598      1.22557780
  H      0.63468303     -1.24201273      1.39835616
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  H     -0.33466850     -1.08128244     -1.60437404
  H      1.78045906     -0.21494898      1.41558117
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  H     -1.32078437      0.11595013     -1.62192348
  H      2.56770096      2.28677917      1.65124490
  O      1.53852362     -1.24941949     -1.52931492
  H     -4.88256937      0.64474739     -1.39951350
  H      1.66461916      1.76683683      0.50819029
  O     -7.32808358      0.23822925      2.92436623
  H     -6.12395687      0.35362111     -2.28049885
  H     -7.78692066     -0.29210417     -1.01908974
  O     -4.85381001      0.11499227      3.99251925
  H     -4.74324796     -2.72749341     -0.61294769
  H     -8.62802329     -0.25205736     -2.31825520
  O     -0.80788532      1.49586320      2.41781042
  H     -5.33417692     -3.99605146      0.05109516
  H     -2.09336322      1.93098591      3.61263955
  O     -2.30289824      2.88067463      0.49566626
  H     -2.88249193     -1.69369950     -1.74298087
  H     -2.49380998      2.47250712      4.99949872
  O      1.57393639     -1.13114755      1.19392856
  H     -4.28736308     -1.21675416     -2.15524551
  H     -6.71744933     -1.82442241      0.37107528
  O      1.80834303      1.73927201      1.47191506
  H     -1.97193197      2.01169979     -2.60932421
  H     -7.36210676     -0.74502170      1.28872734
  O     -7.94373030      0.20930636     -1.84134207
  H     -1.67808704      2.37986487     -1.12048743
  H     -5.12063578      1.50892711      0.68734574
  O     -2.85313303      2.16669677      4.16949144
  H     -2.13218192     -1.23175999      1.61880581
  H     -3.62378778      1.62803767      0.30237689
  O     -7.40063630     -1.14429804      0.41156460
  H     -1.25385603     -0.94796418      0.38009845
  H     -5.00269139      3.53879875      2.04322902
  O     -4.38552025      1.03510196      0.27365141
  H      2.17059571     -1.86056709     -1.89701058
  H     -3.79366037      3.39802083      2.99080320
  O     -4.13660824      3.91497344      2.25149332
  H      1.63195950     -1.29454462     -0.56073946
  H      0.48574981      1.82612382     -1.52801145
  O      1.36829460      1.60538104     -1.19951762
  H     -6.46748863      0.18914252      3.37883428
  H      1.52398199      0.68873138     -1.45668889
          69
 Energy    -249.56499746402915     
  O      3.16589373      1.60596487     16.59019951
  H      2.58931246      1.55058505     15.80865382
  H      0.36846031     -1.13509726     17.60748327
  O      1.67086041      1.00724542     11.81708979
  H      4.04539384      1.37946587     16.29872572
  H      2.70026195      3.02284701     17.82830859
  O      0.10185578      4.29399391     16.90639746
  H      0.92617628      0.40542664     11.68934147
  H      1.98024273      3.14557780     19.18707319
  O      0.45320570      3.57148719     11.53036919
  H      1.35089968      1.88295923     11.56225136
  H      0.34074835     -0.12074354     14.67410303
  O     -0.70633382     -0.60282859     11.91183944
  H      0.91579070      4.26602756     17.42796349
  H     -0.28427848     -1.29384832     15.48681311
  O      1.30741699      0.30913662     18.23091655
  H     -0.29312088      3.41244853     17.00437539
  H     -2.66945304      2.62481220     13.06211945
  O      1.33208131      1.87782529     20.53945062
  H      0.64455890      4.41911577     11.13721249
  H     -2.78732638      2.04963459     14.49369731
  O     -2.21445906      5.39336855     17.83837980
  H      0.29695282      3.73117919     12.47647981
  H     -3.67522966      2.76834573     18.95182853
  O     -4.16592014     -0.09482133     17.58200819
  H     -0.58979146     -0.80448332     12.85525941
  H     -2.59884911      3.87495536     18.92957231
  O     -0.16141040      3.71741043     14.21896557
  H     -0.93810877     -1.42438586     11.48545786
  H     -4.92635926      3.04883181     17.25740570
  O     -1.95079706      1.97803083     11.52421675
  H      2.01102895      0.66664762     17.67441005
  H     -6.15163554      2.74862850     18.15352205
  O     -0.32010384     -1.70302340     17.23310558
  H      1.40138631      0.72613758     19.09681029
  H     -3.02841477     -0.79449744     18.68829630
  O      2.28558151      3.65671896     18.42742521
  H      1.72444955      1.80958967     21.40592182
  H     -2.71549979     -1.90231944     19.71766247
  O     -0.27190510     -0.86710144     14.61653503
  H      0.39250309      1.63987199     20.64113040
  H      1.66273052      1.21365930     13.59058006
  O     -2.79567688      2.87679180     13.98810904
  H     -1.34280364      5.12722113     17.50050403
  H      0.84030284      2.17774175     14.48048613
  O     -2.79120892      2.99288210     19.27085792
  H     -2.15062149      6.31660530     18.06921924
  H     -3.49225108      4.63268712     16.58526053
  O     -5.24853740      2.49160100     17.98937934
  H     -3.69440303      0.03703385     16.74753141
  H     -3.73506886      3.78172777     15.30771615
  O     -2.32888780     -1.16031842     19.25871725
  H     -4.65060134      0.72411049     17.73793841
  H     -1.58059253      0.30212167     20.21647846
  O      1.41856445      1.40458458     14.50908260
  H     -0.00429345      4.10091158     15.09097706
  H     -1.87159992      1.81462366     20.35351566
  O     -4.14986263      4.10356303     16.11933546
  H     -1.09678824      3.46834153     14.17378711
  H     -1.55568853      2.05901395     18.14568192
  O     -1.26131285      1.11605507     20.62656390
  H     -1.17951319      2.52925489     11.34510863
  H     -0.26889046      1.25445492     17.74280019
  O     -0.97418867      1.82398123     17.41100756
  H     -1.61306153      1.07860405     11.61755917
  H     -1.98112689      1.04860297     16.17719014
  O     -2.48436732      0.60042536     15.47846297
  H     -1.05201375     -1.63503364     17.85608946
  H     -1.85849640     -0.00861572     15.06963069
          69
 Energy    -249.56497586568963     
  O     11.48086643      6.64027967    -15.49692525
  H     12.40402054      6.84090267    -15.71175963
  H     19.46485024     10.21182351    -12.93004435
  O     17.33252265      6.27093627    -11.57444227
  H     10.96071239      7.29719323    -15.95482563
  H     15.64741274     11.42551420    -14.54060909
  O     16.97296034     10.89034738    -11.05949972
  H     18.17644751      6.54130532    -11.19427857
  H     16.39946080     10.58914559    -15.59924059
  O     16.20272778      8.96284840    -16.68107939
  H     16.94403182      7.09003515    -11.92392037
  H     16.66031017      9.40232859    -12.10314134
  O     15.07395609      4.68731064    -15.01262130
  H     16.11311356     11.32503946    -10.98749967
  H     17.06774522      8.61127924    -13.39514100
  O     13.50680845      9.52089919     -9.73351800
  H     17.49776873     11.35803361    -11.72198757
  H     11.27657188      5.93460482    -13.87669098
  O     14.83713391      5.92548203    -10.44640177
  H     16.19045492      9.02924041    -17.63304609
  H     10.38401699      5.10374113    -12.92581697
  O     14.09054593     11.40618349    -13.63656340
  H     15.47750982      8.36613314    -16.43660666
  H     18.35169196      8.48406162     -9.59377541
  O     17.69620171      5.50732473    -14.26273532
  H     14.65139033      4.55652637    -14.14511691
  H     17.42743265      9.70550264     -9.74279375
  O     15.31162469      7.77953958     -8.36783992
  H     14.96325856      3.87228667    -15.49585749
  H     14.15931551      4.78567321    -11.81717431
  O     18.18004287      8.13664442    -14.82313727
  H     14.11386728      9.00263599     -9.19127789
  H     12.90051884      4.71394379    -12.71308274
  O     19.77430635      9.30066133    -12.87750598
  H     13.02218892      8.87530819    -10.26358818
  H     18.88083989     12.67646764    -13.44827163
  O     16.50772658     11.31079050    -14.97293435
  H     15.72438192      5.92102070    -10.83531759
  H     17.79872782     11.66125487    -13.88447449
  O     16.45263866      8.63442131    -12.64979713
  H     14.92499876      6.45300763     -9.64202905
  H     20.53618196      7.39948562    -10.47507082
  O     11.21664325      5.56606175    -12.97921015
  H     14.12253475     11.65680877    -12.70587371
  H     19.72052724      8.25511614    -11.46830295
  O     17.61127037      8.94130348     -9.17862093
  H     13.87004565     10.46484641    -13.63922362
  H     14.01214882     11.02530283    -10.41892125
  O     13.81338633      4.41045647    -12.63637917
  H     16.84321999      5.16899279    -14.55889318
  H     13.97466693     12.56844371    -10.32352941
  O     18.47187693     11.85074899    -13.20476976
  H     17.62353377      5.59954831    -13.30284331
  H     14.07139290      7.73121328    -14.94433313
  O     19.64650610      7.65004057    -10.70861758
  H     15.35006264      7.67555827     -7.42082993
  H     14.56146236      6.37054209    -15.54801559
  O     14.35569963     11.84647582    -10.81591709
  H     16.16082789      8.17279392     -8.64003817
  H     13.35476151      6.85500248    -11.03607838
  O     14.21053933      7.24290518    -15.77406970
  H     17.61992209      8.41047326    -15.55728334
  H     11.99314622      6.79355696    -11.78327826
  O     12.59188684      7.38504075    -11.31267133
  H     18.07866677      7.17691974    -14.72003218
  H     13.34769058      8.23078051    -12.74380087
  O     13.87326181      8.60766374    -13.45874301
  H     19.38320302      8.85800789    -13.64469862
  H     14.79331524      8.62709724    -13.14880329
          69
 Energy    -249.56427050407149     
  O     11.11448190      9.60493479    -13.96999887
  H     11.31358232      9.24234356    -13.09298340
  H     16.50386090      5.53706519    -15.55845857
  O     16.30151988      6.63185542    -13.01072436
  H     11.51994228     10.47806100    -13.99887714
  H     13.71694751     10.92004027    -17.00426373
  O     17.38133324     10.86052855    -13.72494309
  H     15.84936975      6.55924594    -12.16054183
  H     14.89826734     11.74218431    -16.44192178
  O     16.80922871     11.56775051    -16.31094894
  H     16.12880496      5.84738591    -13.54450180
  H     15.47532653      8.59844033    -15.37452941
  O     13.14319300      5.47253416    -14.42362433
  H     16.47210349     10.84195699    -13.38880183
  H     15.38230742      7.80246039    -14.03064134
  O     16.64913095     10.30617977     -9.06848226
  H     17.71106807      9.94978289    -13.75083604
  H     12.08496835      7.53154018    -11.60946550
  O     14.99314945      6.72141235    -10.60799618
  H     17.06719476     11.38849724    -15.39093399
  H     12.64347036      8.86149377    -11.07312987
  O     14.72297211     10.66905248    -12.96809535
  H     17.42522362     12.21341053    -16.64799880
  H     18.91801922      8.00031352    -10.61335432
  O     16.16008632      8.94152911    -17.08586256
  H     14.01009397      5.26125188    -14.78828739
  H     20.45739524      8.01246092    -10.76174831
  O     17.52150559      7.63052581     -9.61312595
  H     12.79825286      6.21707008    -14.93383744
  H     12.01110255      5.02264177    -11.51739006
  O     17.63425218      6.80574672    -16.06675363
  H     16.78208084     10.87354904     -8.31395687
  H     12.82051119      5.58544499    -12.70680606
  O     15.88071672      4.90052496    -15.16495431
  H     17.25705455     10.61513523     -9.76365199
  H     18.99956269      8.26426554    -12.91702589
  O     13.93558980     11.70800353    -16.49252684
  H     14.76581250      7.66312654    -10.55910374
  H     17.66955116      7.66464550    -13.39544372
  O     14.95739451      8.48289618    -14.56850492
  H     14.18666749      6.26026860    -10.87258158
  H     18.96914049     10.12830605    -11.08268216
  O     11.90188423      8.47653878    -11.55493737
  H     14.71268178      9.88755172    -13.54392616
  H     18.12610405     11.08020209    -11.95039976
  O     19.65341754      8.34316767    -11.15293249
  H     13.99986487     11.23744714    -13.25972474
  H     12.93662747      9.06002056    -18.62778931
  O     12.65665755      5.68421203    -11.75267454
  H     15.28474966      8.99427309    -17.49160780
  H     13.02060077      8.72589568    -17.11980631
  O     18.39926838      8.24201737    -13.67216231
  H     16.46250635      9.84696921    -16.93628227
  H     15.06874285      9.79048431     -9.92448279
  O     18.41947292     10.92185255    -11.04549720
  H     17.21596718      8.48628527     -9.28531282
  H     14.51200681      9.90327732    -11.36111917
  O     13.45474859      9.21269974    -17.84205534
  H     16.72509197      7.14686138     -9.86228611
  H     12.22854619     12.94728652    -14.11232733
  O     14.39978969      9.43413572    -10.52111520
  H     17.20477395      7.49640797    -16.58994077
  H     13.04279223     11.99548084    -15.02205785
  O     12.62133017     12.07934184    -14.14799606
  H     18.09390130      7.26714819    -15.35443229
  H     11.86187871      8.48447310    -15.11196574
  O     12.49165628      7.95215496    -15.62264998
  H     16.18006959      4.03290921    -15.42440165
  H     13.35247829      8.09653951    -15.19829630
          69
 Energy    -249.56367771677864     
  O     14.39038449      8.90004847     -9.21338158
  H     14.38184228      7.97704728     -8.93135986
  H     11.46836083      8.50030566    -14.53559642
  O     10.15712694      7.37865151    -13.91523335
  H     15.26907804      9.04981090     -9.58101472
  H     16.57887996      6.13474576    -12.29881701
  O     14.93583660      3.68260331    -13.34161185
  H      9.27258332      7.26619182    -14.25451562
  H     15.48675006      6.58981354    -13.29970753
  O     17.46663682      6.74564483    -15.59280338
  H     10.56876661      6.49580917    -13.91838473
  H     13.51589551      7.15295278    -12.38549601
  O     11.35243353      4.93073322    -13.95363794
  H     14.46760016      3.68278086    -14.18573178
  H     13.40923265      7.90509501    -13.75185637
  O     10.41006574      7.95119149    -11.10321730
  H     15.45126101      4.50263390    -13.33587278
  H     11.85975555     10.69919312     -9.66634127
  O     16.77198492      6.25606679    -10.50560276
  H     17.15194764      6.47673099    -14.71183041
  H     12.94974592      9.63931744     -9.92236185
  O     16.46831183      9.43068034    -15.42525746
  H     18.33017135      6.35844923    -15.70838915
  H     16.62272682      4.28274667    -10.70314471
  O     14.02285054      3.21193716     -9.21687100
  H     12.02708158      4.71638012    -14.61025750
  H     15.90900643      3.34016238    -11.70180799
  O     14.87898942      6.23867990    -16.66979763
  H     11.58345997      4.41737607    -13.17096447
  H     12.51210440      5.47424074    -11.29383989
  O     14.01927625      8.93148261    -16.86039230
  H     10.91659395      8.75175761    -10.91102951
  H     11.77666757      6.83731082    -10.98109522
  O     12.27594243      8.96721777    -14.78236938
  H     10.26406189      7.91719932    -12.05661471
  H     13.30000443      3.56177066    -16.44244390
  O     16.31153961      6.08229989    -13.22547955
  H     17.00442911      7.19239026    -10.46752374
  H     13.95491964      4.90990707    -16.06538282
  O     14.02574073      7.50907673    -13.12643042
  H     15.97131968      6.16889694     -9.96704746
  H     12.94122782      3.43297423    -10.81889699
  O     12.16983836     10.06977164    -10.31347291
  H     15.66786495      9.35829260    -15.95965164
  H     13.44833295      3.66986656    -12.25799268
  O     16.23744011      3.40297193    -10.79552294
  H     16.92535488      8.58718589    -15.53023189
  H     12.69149587     10.62045998    -12.02075349
  O     12.63655957      6.39917605    -11.04512844
  H     14.85333841      3.19715275     -9.72594219
  H     13.97393093     10.67961446    -12.86943007
  O     13.46383572      4.14843260    -15.70835761
  H     14.05864261      2.47491170     -8.61291075
  H     13.75995712      6.25818054     -9.72998322
  O     12.65865133      3.71360442    -11.69773566
  H     14.53825820      7.13012590    -16.81302819
  H     14.27427130      5.12834833     -8.82961009
  O     13.01763210     10.80588773    -12.91093451
  H     15.80205567      6.34907444    -16.41199384
  H     17.63918316      9.72664797    -10.29199315
  O     14.40520361      6.06094884     -9.02963238
  H     13.69471434      9.45897113    -17.58568078
  H     16.56508399      9.38120812    -11.34979796
  O     16.95879389      9.09392574    -10.50732690
  H     13.34587697      8.97448290    -16.15955884
  H     16.04448842      9.74864201    -13.70430815
  O     15.66287586      9.72372824    -12.81459864
  H     12.42897642      9.68983827    -14.15181846
  H     15.06155617      8.96360961    -12.81221504
          69
 Energy    -249.56266150226361     
  O     15.40483927      9.90912703    -15.16509902
  H     14.76413562      9.26900882    -15.46267366
  H     18.63496979     10.00830216    -10.48933313
  O     18.26856765     15.44387601    -15.80959505
  H     15.82722477      9.53188361    -14.37220874
  H     21.52570617     15.82129825    -10.70519417
  O     19.69682578     12.67239283    -10.23458974
  H     18.99432703     15.22327290    -16.40713837
  H     21.51462580     17.35950035    -10.87060168
  O     15.25885949     13.29865974    -11.67920575
  H     18.66771963     15.63649273    -14.95264448
  H     20.94899741     11.79311620    -11.30387129
  O     15.75433345     10.60860954    -10.82562243
  H     19.08052960     13.10294913    -10.84421338
  H     22.45747260     11.73270101    -11.59891613
  O     20.06530433     11.90823099    -17.12718594
  H     19.22455030     11.92915956     -9.84104622
  H     17.48450492      8.90685824    -12.72079204
  O     21.65784371     14.59231279    -14.89415092
  H     15.05189696     13.04361802    -12.59743007
  H     16.17160683      9.50042897    -12.18147212
  O     21.79695097     14.41362222     -9.71518516
  H     14.52069099     13.81147555    -11.36167149
  H     20.74262023     14.78314374    -18.31002336
  O     21.26733803     11.87116967    -14.53586944
  H     16.54159207     10.60564761    -10.26819732
  H     20.30198503     13.60867823    -17.40190850
  O     14.82446594     12.56571108    -14.23209576
  H     15.57225056     11.53169596    -11.03763441
  H     22.88236975     15.70684714    -12.34173187
  O     17.35641312     11.46412306    -16.42344724
  H     20.55328969     11.68274866    -16.32476634
  H     22.98637161     14.91226472    -13.64979867
  O     18.33121626     10.30162222     -9.61264081
  H     19.14807439     11.64268399    -16.97812770
  H     20.16654693     16.03460596    -12.63378076
  O     21.43135722     16.54193939    -11.35405736
  H     20.93639609     14.94093729    -14.34858249
  H     19.01593150     15.01096797    -12.84935226
  O     21.61554708     11.31201530    -11.81517306
  H     21.38207290     14.68379135    -15.81377772
  H     23.74884924     13.68966491    -11.80940467
  O     16.54434463      8.97652931    -12.90847549
  H     22.54218801     13.90045615    -10.04899251
  H     24.74013819     12.82708573    -10.99413417
  O     20.44401578     14.57240156    -17.42988439
  H     21.03033713     13.82434588     -9.75897848
  H     20.18881284      9.96087287    -12.05588493
  O     23.44616083     15.08439078    -12.81677198
  H     21.50516264     11.61764958    -13.63442563
  H     18.89206225     10.38412453    -12.75767543
  O     19.61416661     15.61870610    -13.30764803
  H     21.49911858     12.80566461    -14.63749566
  H     19.51948546     11.85123980    -14.16619802
  O     23.81311699     12.94806684    -11.18077112
  H     14.93396240     11.65024232    -14.51522282
  H     18.09333078     11.65444911    -14.74276459
  O     19.25801347      9.72455661    -12.14732470
  H     15.20574980     13.11271655    -14.93027186
  H     15.59183486     14.44427322    -17.01579627
  O     18.58655053     11.76210823    -13.92190054
  H     16.69054829     10.82988253    -16.12588132
  H     16.84288367     14.53058385    -16.11256243
  O     16.08247079     13.97007466    -16.34965924
  H     16.91135949     12.31819892    -16.51125085
  H     17.04135057     13.68939255    -11.90864933
  O     17.97991077     13.72262672    -12.12831388
  H     18.49155908      9.57982659     -9.00952471
  H     18.13895862     13.03163245    -12.79107897
          69
 Ord_Energy   -249.562622    
 O    4.09085274       8.76468182      -15.4409895    
 H    3.93397784       7.94050026      -15.9366674    
 H    4.94128513       9.09637451      -15.7143307    
 O   0.925799906       7.66414499      -9.51406670    
 H   0.398068219       8.42798805      -9.78010559    
 H   0.434643179       7.16419983      -8.84933758    
 O    1.34439385       9.45228195      -15.9069977    
 H    2.30058146       9.38792515      -15.7898912    
 H   0.980332792       9.56025314      -15.0193090    
 O   -3.86089754       7.56930780      -13.3337736    
 H   -4.34531832       7.88175964      -14.0931292    
 H   -2.93321538       7.46912670      -13.6120977    
 O   0.428946823       9.27543449      -13.2221594    
 H  -0.196758807       8.59174252      -13.5083370    
 H   0.128465876       9.56669521      -12.3542252    
 O  -0.387465060       5.78591442      -7.84924936    
 H  -0.439403832       5.60888672      -6.91413069    
 H   0.157565817       5.07760096      -8.23939896    
 O    1.14209235       3.92519259      -9.08663654    
 H   0.759253263       3.60744858      -9.91692924    
 H    2.08102417       4.03570700      -9.27042866    
 O    3.17129564       3.24466705      -12.5264149    
 H    3.46763110       3.58417296      -11.6663198    
 H    3.67947936       2.45708036      -12.7055807    
 O    3.35056114       6.45817804      -16.6661758    
 H    2.51880860       6.66531467      -17.1102276    
 H    3.10690641       5.91173220      -15.9058084    
 O   -3.47705483       4.85903025      -12.3784599    
 H   -3.27056670       5.02077627      -11.4499111    
 H   -3.77228284       5.70931530      -12.7237034    
 O   -2.33494258       5.84484816      -9.93697166    
 H   -1.62582266       5.89888859      -10.5965281    
 H   -1.87729156       5.75571203      -9.09426403    
 O    2.81021047       7.79674244      -13.1245861    
 H    1.99170446       8.31128979      -13.0984907    
 H    3.35746789       8.17895222      -13.8220015    
 O  -0.106495477       5.37213802      -15.6095867    
 H   0.731467485       5.25644255      -15.1360254    
 H    9.35957879E-02   5.93436909      -16.3684807    
 O  -0.615988910       9.76859570      -10.6055775    
 H  -0.775234878       10.6279936      -10.2239399    
 H   -1.48329020       9.32952213      -10.6782856    
 O   -1.21854353       7.17625618      -13.8585739    
 H  -0.894015312       6.77938271      -13.0333958    
 H  -0.913043499       6.59637976      -14.5673666    
 O    3.37250280       6.89413881      -10.5483093    
 H    2.60530281       7.23411226      -10.0675058    
 H    3.29040074       7.23429775      -11.4489918    
 O   -2.95515943       8.43987560      -10.7911701    
 H   -3.38941193       8.26658440      -11.6351337    
 H   -2.85933185       7.57574081      -10.3677731    
 O   0.735787034       7.30843735      -17.4915276    
 H   0.420305043       7.61398458      -18.3378544    
 H   0.877631366       8.10071087      -16.9434052    
 O    2.36079955       5.29237890      -14.3031368    
 H    2.46304464       6.12214708      -13.8154745    
 H    2.68755174       4.58274555      -13.7395916    
 O  -0.124483451       6.09933233      -11.6225615    
 H   0.167891875       5.17906189      -11.6659002    
 H   0.398825198       6.56441689      -10.9598808    
 O   0.444877297       3.37973952      -11.7218609    
 H    1.31166041       3.19856405      -12.1007595    
 H  -0.214206710       3.30753684      -12.4312439    
 O    3.85065150       4.31762075      -10.0635118    
 H    4.61521053       4.24308300      -9.49915409    
 H    3.71780133       5.26975393      -10.2333250    
 O   -1.38194895       3.54181623      -13.7118711    
 H   -2.16263676       3.96591640      -13.3252172    
 H   -1.10537660       4.07836580      -14.4619389    
          69
 Energy    -249.56259425444870     
  O     -0.88867723     -4.34132675      0.05457342
  H     -1.01136407     -3.45498821     -0.30355964
  H      2.45488928     -0.95687240      3.78055463
  O      1.87539008      0.12326799      2.31284926
  H     -1.75995738     -4.71180253      0.26659768
  H     -0.35788332     -3.93909433      1.79106994
  O     -2.91954234     -0.94392490      1.36373874
  H      1.86974226      1.07716255      2.32207934
  H      0.50436733     -4.21036828      3.06999307
  O      0.78284281     -1.62010187      6.57517544
  H      0.96567783     -0.16613112      2.50740440
  H     -2.39115657     -5.35874726      4.06520774
  O     -5.54867964     -1.58137821      4.36036581
  H     -3.32881577     -1.77569486      1.64150766
  H     -1.53676776     -4.09897889      3.79210393
  O     -1.51796325     -0.51461580      5.36977176
  H     -3.21685155     -0.28341106      2.00750563
  H      3.54733821     -3.89679127      2.51729200
  O      0.07632737     -4.35886399      6.15177731
  H      1.43236902     -1.58451170      5.84962469
  H      4.77463750     -4.04074536      3.45161512
  O     -1.19045239     -1.63126291     -0.67474770
  H      1.25312885     -1.39334846      7.37357090
  H     -3.51967574     -3.58756317      3.16193735
  O      1.57067488     -5.35273305      4.07532332
  H     -4.88801251     -1.88994409      5.00854532
  H     -4.76597307     -2.68465640      3.05156412
  O     -2.38764489     -6.95778004      3.12740211
  H     -6.38896852     -1.55811826      4.80930409
  H      2.46999500     -3.23181180      0.59590019
  O      0.21556572     -7.12544547      2.43843650
  H     -0.78644274     -0.77747718      5.94225921
  H      2.41057540     -4.78224173      0.59242305
  O      2.55594835     -1.56152928      4.52461312
  H     -1.17960601     -0.64964335      4.47230561
  H     -0.30551372     -1.91673409      2.81681790
  O     -0.19912206     -3.66119773      2.70161748
  H      0.24571248     -3.42855373      6.34872656
  H     -1.34899575     -0.89535649      2.29467899
  O     -2.26673985     -4.43879248      4.33361998
  H     -0.80994337     -4.40345415      5.77990120
  H      1.81153913     -1.02486432      0.77621202
  O      3.84302249     -3.84009463      3.44580721
  H     -1.83936480     -1.31799143     -0.02392459
  H      0.71934368     -1.59941434     -0.14882930
  O     -4.12811272     -3.18635304      2.52756694
  H     -1.43686124     -1.24397721     -1.51173097
  H      0.42852266     -5.48768495     -0.12406082
  O      2.89103767     -4.02882769      0.95051855
  H      2.42403495     -4.91313434      3.98365000
  H      1.26365101     -6.52413533     -0.91178175
  O     -0.54419769     -0.97667145      2.81989409
  H      1.15906405     -5.05867729      4.90207611
  H     -3.00852183      0.35265851      4.30569599
  O      1.64242172     -1.69887103      0.10627723
  H     -1.45259928     -7.06039959      2.87080312
  H     -4.41114774     -0.09898449      3.87105169
  O      1.17704494     -6.10635154     -0.05857553
  H     -2.69581150     -7.82046603      3.39111358
  H     -3.11418447     -3.21738489      5.49050398
  O     -3.66856906      0.46195082      3.61124392
  H      0.57272272     -6.91744346      1.56776417
  H     -2.82293811     -1.73913574      5.80235136
  O     -3.49717601     -2.42792580      5.89226159
  H      0.75613476     -6.62895197      3.07017010
  H     -3.05259097     -5.98000674      1.61830982
  O     -3.26448380     -5.34287844      0.92417864
  H      3.03794226     -2.32675923      4.18732101
  H     -3.74940543     -4.62828178      1.35708661
          69
 Energy    -249.56198001955983     
  O     13.49250129     12.36787254     -8.75170392
  H     13.58352090     11.41709615     -8.94025124
  H     12.57094822     11.49484588    -12.76438035
  O     13.05750135     13.82179761    -15.34476440
  H     12.92978562     12.43892547     -7.98441027
  H     11.91805112     13.47518268    -12.25175769
  O     17.11504530      8.97546132    -11.65163485
  H     13.74738887     14.16008305    -14.74855055
  H     11.89228885     13.32348886    -13.79545914
  O     14.97529185     16.11004662    -11.26919867
  H     12.86508332     14.51875174    -15.96674207
  H     19.88053519     14.24459098    -12.73209910
  O     14.15854721     11.21533454    -15.33638795
  H     17.20726667      8.28527939    -12.32475598
  H     18.51689154     14.04375744    -13.43688499
  O     17.10461410      7.28720272    -13.80845787
  H     17.49148492      9.77796958    -12.04120598
  H     13.95636834      9.24268906    -10.00329108
  O     17.34300569      8.70152118    -16.32414958
  H     14.96391942     17.01641254    -10.97435789
  H     15.02157861      9.70028482     -9.00153733
  O     15.54986057     12.30513470    -12.00801369
  H     15.82069683     15.72858963    -10.97183661
  H     14.33889378      9.46602816    -16.02015582
  O     14.29536990      8.55238627    -11.78480619
  H     13.74320840     12.06054550    -15.54400564
  H     14.38922831      8.00362841    -15.50282652
  O     16.95423605     11.33475008    -15.42143824
  H     13.85751883     10.99379234    -14.44325385
  H     17.54835670      9.39509253     -8.49812749
  O     17.49266845     14.07634846    -14.85044942
  H     17.32507127      7.74005362    -14.63126316
  H     17.05144462      9.47958176     -9.95845923
  O     13.32163692     10.88542637    -12.71745049
  H     16.18931872      6.99785287    -13.90956033
  H     17.03507751     14.12732094     -9.97475182
  O     11.56053464     12.93911291    -12.97721471
  H     16.37328500      8.61281008    -16.38272135
  H     17.89054322     14.56713415    -11.18788873
  O     19.00322394     13.89220140    -12.60600227
  H     17.70324203      8.32494647    -17.12261952
  H     18.47104093     12.09949575    -12.70785853
  O     14.07543289      9.74384454     -9.18804830
  H     16.37003980     11.92611345    -12.34827151
  H     17.71114278     11.26943802    -13.79157507
  O     14.64471814      8.57544369    -16.23776369
  H     15.70375377     12.47869422    -11.07186611
  H     13.02336683     13.62266686    -10.13868404
  O     16.93534321      9.85288814     -9.06789558
  H     15.24307105      8.73846519    -11.73527520
  H     13.50648875     14.87912328    -10.90273580
  O     17.28038274     14.89103922    -10.51495492
  H     13.86196646      9.34746773    -12.13775348
  H     13.70106999      6.12163538    -13.83744465
  O     17.98473336     11.28020191    -12.86167346
  H     15.98638081     11.33144022    -15.39807983
  H     14.17896010      7.42283501    -13.15591225
  O     12.78966738     14.23809028    -10.84343968
  H     17.21916523     10.48951405    -15.80568582
  H     15.31338531     12.61303407     -8.96454180
  O     14.25555019      6.88740600    -13.96349755
  H     16.62963960     14.35328117    -14.51337093
  H     16.55918074     11.70364923     -9.15722514
  O     16.22321465     12.59876368     -9.29274498
  H     17.36346346     13.19564592    -15.22551378
  H     15.16267747     13.73663682    -13.05772590
  O     15.02756506     14.54408289    -13.57672419
  H     14.07688377     11.39673965    -12.38879692
  H     14.96144702     15.25258076    -12.92517489
          69
 Energy    -249.56147361318219     
  O     -3.98296177      1.47002251      4.58890499
  H     -4.48014099      0.69107049      4.87121565
  H     -7.24578777      5.57479992      1.28623277
  O      0.57892319      4.69155774      0.99021735
  H     -4.41223522      2.25264659      4.96019191
  H      1.07592056      1.83896032     -0.13247772
  O     -1.02930643      0.13422378      1.36750803
  H      0.58029537      3.96556983      0.34119687
  H     -0.20029662      2.10078554     -0.96139806
  O     -4.08355824     -0.57172513     -1.44283760
  H      1.10022345      5.39638901      0.61549820
  H     -5.25039845      4.36838871      6.18926718
  O     -4.46720855      1.15105355      1.86022492
  H     -0.06457561      0.15054607      1.37099435
  H     -4.88575884      4.40990809      4.68413435
  O     -7.31333512      3.02614711      3.62750058
  H     -1.30904034      0.55053500      0.53866638
  H     -1.83945402      3.65762633      2.62565670
  O     -7.79105230     -1.22777459      1.41077840
  H     -4.89361391     -0.17433967     -1.08072490
  H     -1.12343224      4.71190185      1.74583858
  O     -1.51509087      2.03848692      3.41133788
  H     -4.34206191     -1.05745349     -2.22226917
  H     -5.10281174      5.19288067      2.59650905
  O     -6.25495348      0.51906543     -0.12575056
  H     -4.06955628      0.28083226      1.72520700
  H     -3.56834427      5.12608885      2.86011274
  O     -5.45242278     -2.24036445      2.78915283
  H     -4.42096917      1.34091097      2.80452274
  H     -5.63569583     -1.38459202      5.83499093
  O     -3.46537365      3.13200936      0.23325216
  H     -7.16049519      3.62618376      2.88827907
  H     -5.46110601     -1.36778032      4.29865806
  O     -6.65456260      4.86900416      1.53650180
  H     -6.70160224      3.30399576      4.31897471
  H      1.07998903      3.50276994      2.43983891
  O      0.61534285      2.51215312     -0.64895690
  H     -7.84766929     -0.64023257      2.18895934
  H      0.31219078      2.52570023      3.35176336
  O     -5.20455035      3.83232926      5.40288585
  H     -8.62565185     -1.68415144      1.35223511
  H      2.55772476      0.26982230      1.44021802
  O     -1.97709558      4.47941501      2.13056085
  H     -1.42036945      1.35576844      2.73302646
  H      1.63056409      1.39611315      1.96100783
  O     -4.42481665      5.27886556      3.27869918
  H     -2.29398558      1.81064406      3.93529644
  H     -7.66789671      1.28223562      3.58046119
  O     -5.53046336     -0.80107669      5.08822089
  H     -5.73851916      0.84175800      0.62998234
  H     -7.08746124     -0.00169053      4.21659199
  O      1.19269389      2.73024291      3.00763807
  H     -6.89251461     -0.10009789      0.25130804
  H     -3.53229303     -1.25321875      0.25205357
  O      1.71574721      0.69112895      1.29348698
  H     -6.22203683     -2.01290770      2.25360930
  H     -2.44006923     -1.01603906      1.33274233
  O     -7.75448816      0.31732180      3.59979637
  H     -4.67567329     -2.07386059      2.23830605
  H     -2.43475101      2.01707997     -0.67776439
  O     -3.33452314     -1.35796617      1.19151635
  H     -2.94963996      3.73420391      0.78354182
  H     -2.56381564      0.63208203     -1.34381376
  O     -1.91829415      1.27446753     -1.02966830
  H     -3.82738823      2.46384326      0.83698056
  H     -6.34224054      2.39440770     -0.62220095
  O     -6.10476567      3.32900302     -0.64320741
  H     -6.51158432      4.33346783      0.73825060
  H     -5.14496181      3.35868839     -0.51673988
          69
 Energy    -249.56096726022710     
  O     11.18626929     10.71653032    -11.23888325
  H     10.65511839     10.52300633    -12.02219196
  H     17.11041758      6.04134642    -15.76522392
  O     13.37940613      7.56808755    -15.10539926
  H     12.03764137     11.03314856    -11.56463424
  H     16.66989835     11.44038605    -14.06187818
  O     17.70055618      9.00298748    -16.86863165
  H     13.67358496      7.34399194    -15.99908994
  H     16.44488949     12.95788265    -13.89502117
  O     12.31305985     10.07450718    -14.73170871
  H     14.16169696      7.89814245    -14.63500737
  H     15.37565141      8.63506131    -12.80347397
  O     15.62960158      5.66998706    -10.28408041
  H     16.96111073      9.32426716    -17.40118452
  H     16.23150994      9.00996737    -14.04603011
  O     12.78047102      6.00499053    -12.91640593
  H     17.62976994      8.04094919    -16.87392834
  H     10.34889900      8.59359307     -9.01891129
  O     15.02943278      9.24202079    -11.15863544
  H     12.60320984      9.16836332    -14.91357994
  H     10.98845444      9.29431102    -10.24277206
  O     15.35295947      9.80913600    -18.21784289
  H     11.39605641     10.01831928    -14.43835000
  H     18.30037487      7.05723477    -13.33002808
  O     15.13779813      4.35731073    -12.56712264
  H     16.33206964      6.33594573    -10.29124929
  H     19.76531921      7.40958505    -12.99388664
  O     17.73188056     10.02419206    -14.36166242
  H     14.80871336      6.15240066    -10.12053137
  H     11.02207310      6.72178418    -12.59661669
  O     14.59362534      7.14664870    -17.52330594
  H     12.92221739      6.50284031    -13.73578073
  H     10.37869868      7.53861553    -11.45330884
  O     17.19785493      6.18588038    -16.72111602
  H     13.48768066      5.35179425    -12.86832908
  H     16.38026840      6.84563830    -13.88165495
  O     15.98607454     12.12423158    -13.96934689
  H     14.39245639      8.58967393    -10.83240033
  H     16.37764891      5.34031061    -13.54001025
  O     15.56657050      8.39228243    -13.71970281
  H     14.52867852      9.98745079    -11.51478194
  H     17.95234471      7.89203265    -11.28284937
  O     10.85317499      8.43138630     -9.81115742
  H     15.21158337     10.26765548    -19.04162839
  H     16.66440562      8.46093535    -10.65316958
  O     18.88049445      7.76776361    -13.01354093
  H     14.97401221     10.36980583    -17.51726051
  H     13.55911214     10.95806828    -15.77479888
  O     10.27002291      7.28587165    -12.37906422
  H     15.09287839      3.41800744    -12.41022300
  H     14.90281728     11.66999064    -15.50621692
  O     16.89403141      6.02714168    -13.97866198
  H     15.35009761      4.77555240    -11.71078765
  H     12.46339821      7.59045423    -10.09185341
  O     17.38170813      7.82744144    -10.51052935
  H     18.24824546      9.40028472    -13.83798304
  H     13.07502116      6.82986640    -11.30235231
  O     14.35066531     11.30670129    -16.20697997
  H     17.79813455      9.74064302    -15.28914927
  H     14.44070883     11.64442082    -12.94467878
  O     13.28377961      7.22395016    -10.44282189
  H     15.44621252      6.73955321    -17.32922383
  H     13.20570410     10.79180435    -13.30434500
  O     13.66559902     11.21508648    -12.56364005
  H     14.79488073      8.03522535    -17.84513095
  H      8.90919447      9.76072121    -13.83904286
  O      9.81329827      9.69909615    -13.54349220
  H     17.65824497      5.42808056    -17.07345026
  H      9.93646220      8.79660681    -13.19768929
          69
 Energy    -249.56087906126385     
  O     12.97855177      4.25504571     -9.82153341
  H     12.25255312      4.88847358     -9.88115519
  H     14.02269698      9.53393880    -12.97747919
  O     14.73626673      9.65539987    -16.03333584
  H     13.32306721      4.13688392    -10.71769834
  H     17.36927158      8.09236582    -12.44364859
  O     17.44550046      7.83373421    -14.25646998
  H     14.25398591      9.93595237    -15.24247411
  H     17.08425562      8.95290713    -11.15460952
  O     16.54799439     10.65133690    -10.58039780
  H     15.61744777     10.03631514    -15.94746081
  H     14.04562749      8.04807252    -11.01162560
  O     10.95640000      7.74857874    -12.11531229
  H     18.05727088      7.09845478    -14.39342427
  H     15.37806724      8.05642876    -11.79659607
  O     15.78216551      2.73131476    -14.12909685
  H     16.58267886      7.54586776    -14.59107029
  H     18.66382108      4.93890863    -13.90508047
  O     16.50375472      5.43362295    -10.86838554
  H     17.05430380     11.26676821    -10.05611451
  H     19.83472385      5.27490809    -14.85874254
  O     13.70768008     10.49086978     -9.77344967
  H     16.44245384     11.05455183    -11.46175035
  H     13.34105082      5.55610205    -13.17189168
  O     16.47294194      4.66629234    -15.89647556
  H     11.19366361      8.68121220    -12.05167062
  H     13.54115391      7.05706854    -12.95203635
  O     16.14746930     11.58236736    -13.07022980
  H     11.55171200      7.33301840    -12.75294749
  H     17.54359970      9.48954411    -14.94483581
  O     11.65499036     10.52917547    -11.60695505
  H     15.65640647      1.89464152    -14.56785929
  H     18.19318084     10.54176242    -15.87270699
  O     13.70468364     10.29106436    -13.49197842
  H     15.97627439      3.38768230    -14.82273666
  H     14.28214443      6.77038928    -14.84662641
  O     17.16584392      8.05324663    -11.49773635
  H     16.81463952      6.33595113    -11.02626371
  H     14.86180226      7.88559671    -15.76803607
  O     14.42188604      8.12715969    -11.89727308
  H     16.10665066      5.42296280     -9.98915969
  H     17.29216333      3.35902767    -13.10327719
  O     18.94128816      5.52095762    -14.63594542
  H     13.62878752      9.60424972     -9.39368006
  H     17.55377649      4.36888613    -11.96520562
  O     13.05906326      6.41885320    -13.50369144
  H     14.62972862     10.57740647    -10.04029649
  H     10.23343737      6.35878760     -9.38039712
  O     17.45234528     10.39306609    -15.29068287
  H     15.92163048      5.46064551    -15.85364894
  H     10.97177004      6.85222430    -10.64734914
  O     15.03959715      7.00929552    -15.39571647
  H     17.36098675      4.94643727    -15.64724320
  H     15.06831893      4.72288339    -11.85299985
  O     17.98008699      3.89877020    -12.69471469
  H     15.24476904     11.28410712    -13.25019299
  H     14.73048074      3.64086640    -12.90625246
  O     11.09168749      6.39911848     -9.79328724
  H     16.67170116     11.30393507    -13.83054409
  H     15.16527252      5.07038696     -7.63604778
  O     14.33410484      4.25790479    -12.27886331
  H     12.36372766     10.56791103    -10.94075353
  H     14.26553856      4.94822695     -8.89286108
  O     14.98988781      5.46112078     -8.48763303
  H     11.00875696     11.18410930    -11.35614037
  H     12.63065245      7.34051235     -9.35063942
  O     13.49906279      7.75360803     -9.25198199
  H     12.89728447     10.56399426    -13.04279023
  H     14.08790351      7.07327245     -8.90379184
          69
 Energy    -249.56085608161334     
  O     15.81915565     10.56288422    -15.31418148
  H     16.34335180     11.11989418    -15.91747450
  H     18.23154993     11.69525611    -17.04544051
  O     18.08829171     14.68841162    -16.56359007
  H     15.11214277     10.19308125    -15.83608786
  H     17.36233809     10.46297521    -10.05042043
  O     22.03522109      9.88028160    -15.17250727
  H     18.97750737     14.61050893    -16.92932940
  H     17.88739788     10.47049233     -8.59705165
  O     18.98494574     13.30041068    -10.35915219
  H     18.19913583     15.14342715    -15.72003197
  H     19.63644255     17.03912348    -11.27721633
  O     15.41173784     11.94340632    -12.84305124
  H     21.47171609      9.44301534    -14.50614382
  H     19.29516313     18.45615994    -11.79814331
  O     20.58122720     10.03823495    -10.78054447
  H     22.72398674      9.26086273    -15.39523082
  H     21.80268734     12.54456406    -11.84000376
  O     16.07841790      9.94025724    -11.19304818
  H     19.90392627     13.08569686    -10.57859226
  H     22.09457432     13.50234677    -10.65028681
  O     20.08150886     11.49158843    -16.46107271
  H     18.61157345     12.50482822     -9.96267825
  H     17.19078096      9.44967406    -12.69327364
  O     21.46106334     14.76604009    -14.69046663
  H     15.47122772     11.58631994    -13.73790616
  H     17.04395162      9.67995354    -14.21281560
  O     19.89215757     15.93579290     -9.94502382
  H     16.03462900     12.68274847    -12.79604757
  H     21.15610624     13.99646385    -18.20035214
  O     21.73105180     12.22440906    -13.60092964
  H     21.07197329     10.86699825    -10.71441821
  H     20.59213378     13.08724425    -17.08229734
  O     17.33687908     12.04509363    -16.96769940
  H     19.75295945     10.19428589    -10.31387693
  H     22.07613281     15.99854589    -13.44479785
  O     18.08589090     10.76956569     -9.48155404
  H     15.78434697     10.69816995    -11.73267821
  H     21.40477954     17.05644937    -12.54471656
  O     19.60811930     17.59914535    -12.07394767
  H     15.30575039      9.40915124    -11.01937209
  H     19.03479958     16.45422481    -13.41881322
  O     21.64952991     12.68137161    -10.89336757
  H     20.77347520     10.86749337    -16.21266579
  H     19.77024244     15.36484049    -14.23275605
  O     17.66782949      9.39720190    -13.52972490
  H     19.61953959     11.70028800    -15.63308304
  H     22.58369736     15.71802924    -11.19310975
  O     20.80339519     14.00784974    -17.31443148
  H     21.35001668     14.62657688    -15.63888598
  H     23.44455382     15.57344164     -9.91531642
  O     22.22395546     16.56280335    -12.67373802
  H     21.64295042     13.89720805    -14.30548749
  H     20.55355071      9.18932288    -12.39276864
  O     18.89301681     15.71644806    -14.02482542
  H     20.83644335     15.73714558     -9.91661147
  H     19.48052970      8.81042280    -13.43338180
  O     22.65698824     15.24812976    -10.34270184
  H     19.44660775     15.07906860     -9.97411003
  H     18.65711371     10.98060718    -13.69265691
  O     20.43284843      8.82348764    -13.28201448
  H     22.08755002     11.48668740    -14.10744889
  H     18.46369901     12.51645509    -13.53871332
  O     19.04247258     11.83854417    -13.90747648
  H     20.76846569     12.08999484    -13.60215630
  H     17.88887182     14.51560014    -13.12782169
  O     17.49763093     13.76816909    -12.65569070
  H     17.44520496     12.99796346    -16.82956836
  H     17.97613864     13.66990117    -11.81997866
          69
 Energy    -249.56065850277997     
  O     -1.08626405      4.61195642      3.98879931
  H     -1.31999693      4.12625530      4.77524293
  H      0.33389769      7.06566952     -3.02488857
  O     -1.14309838     11.26620390      0.19376197
  H     -1.06406768      3.97111965      3.25612711
  H      3.91187013      4.19459349      2.05880031
  O     -2.24338570      8.10573075     -1.58349984
  H     -0.58780677     10.55413002     -0.15565486
  H      2.48191219      4.78262405      2.09846517
  O     -0.83447435     10.69911304      2.83650694
  H     -2.04575848     11.03428880     -0.05658185
  H     -0.34204317      5.06402622     -3.90165057
  O     -3.32682568      9.33351311      2.32844370
  H     -2.87263734      8.77212595     -1.28228680
  H     -0.41124392      4.10733788     -5.11343195
  O      0.17844659      8.89469938     -0.47693244
  H     -1.39283822      8.36195518     -1.19428958
  H      1.47854002      3.62008219     -3.40247840
  O     -2.59557927      5.81627393     -0.03037384
  H     -0.91313781     11.00996178      1.91643625
  H      1.98695288      2.51575013     -2.45204732
  O     -2.32639385      6.72463324      2.54941177
  H     -0.60051544     11.45692244      3.36491659
  H      1.06588110      6.61793958      2.70787750
  O     -0.09801422      4.70085497     -0.30083153
  H     -2.56692899      9.83396229      2.64888746
  H      0.60945440      5.35477571      3.45645963
  O     -0.92044193      3.06890960      1.76762464
  H     -3.11596356      8.40426505      2.49215889
  H     -3.16270800      3.93375632     -0.01134505
  O      1.53579463      1.87402323      1.07376622
  H      0.88948884      8.52400968     -1.01223856
  H     -2.52168486      2.74726066     -0.74575195
  O     -0.49390843      6.69527737     -3.35351415
  H      0.24464866      8.53029346      0.41679559
  H     -0.87675799      3.09843270     -2.81573798
  O      3.09156856      4.23212801      1.57360834
  H     -1.69297111      5.47536485     -0.12865347
  H     -0.35003064      1.99644690     -1.85334557
  O     -0.19810626      4.14308995     -4.18485496
  H     -2.64276668      6.58719496     -0.60930655
  H      2.57404171      4.58162655     -1.63814171
  O      2.22880406      3.36033886     -2.85305182
  H     -2.51123165      6.35197587      1.67378662
  H      2.88321459      4.92777410     -0.13349443
  O      1.35848578      5.74060921      2.98790844
  H     -2.02730005      6.00699223      3.11897759
  H     -0.09438806      8.99160631      2.52784429
  O     -3.05544963      2.97425986      0.02809362
  H     -0.36786088      4.00702073     -0.92025409
  H     -0.76111934      7.62046664      2.27729941
  O     -1.05079271      2.65027599     -1.97719238
  H      0.79587354      4.96804779     -0.53453373
  H      2.72810122      7.95353674     -2.68307398
  O      2.58341837      5.29131312     -0.97513328
  H     -1.75145941      2.85510903      1.31967244
  H      2.26562846      6.81850806     -1.73782534
  O      0.07339618      8.10427230      2.18583646
  H     -0.48457607      3.70340326      1.17720974
  H      1.41880546      0.13530826     -1.56455656
  O      1.97920337      7.63218532     -2.18774570
  H      0.67228236      2.11007439      1.43761411
  H      1.37699098      1.31118201     -0.56007642
  O      1.23081926      1.06692654     -1.49162934
  H      2.11639925      2.62217002      1.25908322
  H     -3.66897571      9.79729483      0.67049953
  O     -3.74276891     10.09678404     -0.25363500
  H     -1.20232051      7.15087105     -2.88280755
  H     -4.60716394     10.48823884     -0.34544420
          69
 Energy    -249.56016597291466     
  O     -8.87755467     -3.20796783      4.89826436
  H     -9.28703639     -3.95672488      5.32430452
  H     -8.28023679     -0.14264970      3.76415988
  O     -8.77217953     -1.35103512      1.01464676
  H     -8.16582249     -2.90168113      5.48995238
  H     -7.29507643     -1.29989016      6.83936469
  O     -7.55107188     -3.48018591      2.36636463
  H     -9.57105233     -0.81818912      0.92111377
  H     -6.27035276     -1.82642605      5.81206353
  O     -4.66389056      2.15616177      1.73389035
  H     -8.27804114     -0.95420141      1.75023772
  H     -2.16427594      4.03103674      5.39209207
  O     -8.18447549      0.37629095      7.17487692
  H     -7.99010168     -3.45206727      3.22541747
  H     -3.36515490      4.14403404      4.42011820
  O     -6.69818277      5.61174404      3.88400699
  H     -8.08191459     -2.91848964      1.78630091
  H    -10.62546874      1.43898917      2.53756993
  O     -8.63923371      1.76595486     -0.57064924
  H     -4.53955131      1.31761914      1.26650302
  H    -10.39897326      0.98280392      3.99053949
  O     -5.28811974     -1.16641688      4.43952696
  H     -5.61601701      2.33249111      1.69847878
  H    -10.05748669      1.12131097      0.23556917
  O     -4.13505571      4.64604953      2.94516233
  H     -7.64594859      1.05426522      6.73144071
  H    -11.56176709      0.76359703      0.28947123
  O     -4.76337069     -0.32620879      0.55026746
  H     -8.42280868      0.72956331      8.02809472
  H     -5.85570735     -3.04804672      2.20506748
  O     -4.40286544      1.42909429      4.39694955
  H     -7.09387000      6.45247128      3.66611887
  H     -4.39043428     -3.48834034      1.97863397
  O     -7.54586876     -0.09999710      3.13765747
  H     -7.42446906      4.96792972      3.92398904
  H     -7.70336145     -0.96710837     -0.38346486
  O     -6.95173061     -2.10810667      6.44063177
  H     -8.07267322      1.07401816     -0.93078901
  H     -7.18204513     -1.22507282     -1.81536069
  O     -3.07315485      3.77029543      5.27265881
  H     -8.16996369      2.10224064      0.20761255
  H     -9.26456146     -0.18837640      5.77018132
  O    -10.51232378      1.76682571      3.43726110
  H     -4.81024534     -0.32483751      4.44785652
  H     -9.56330810     -1.43076788      4.88785101
  O    -10.73910789      0.66583324      0.76200047
  H     -4.98654378     -1.69343365      3.68890988
  H     -4.66013303      4.41161541      6.13751832
  O     -4.93903047     -2.72564597      2.14328144
  H     -4.24657018      3.86680527      2.38314498
  H     -5.91644743      5.12452590      5.60299507
  O     -7.10961100     -0.62823311     -1.07420715
  H     -5.01772855      4.98745540      3.13351553
  H     -6.39177339      3.05803260      6.15305451
  O     -9.66258430     -0.47135671      4.93531339
  H     -5.49578794     -0.39064032     -0.07481520
  H     -6.00882344      1.85098056      5.26891687
  O     -5.57455775      4.63159521      6.35968987
  H     -4.77607438     -1.14667572      1.05620560
  H     -7.79206931      2.91270746      2.49347104
  O     -6.72590296      2.21909123      5.80048561
  H     -3.84958531      2.10518350      4.80540610
  H     -7.42100403      1.44689655      2.23506093
  O     -7.38930928      2.33137104      1.83867975
  H     -4.47025400      1.65758826      3.45787438
  H     -9.30800229      3.02731401      3.87814124
  O     -8.51721268      3.55299107      4.07254797
  H     -6.77586712     -0.48856238      3.56915880
  H     -7.97709831      3.03795002      4.68851220
          69
 Ord_Energy   -249.559692    
 O   -2.22633743      -3.35844606E-02   1.14178431    
 H   -2.11153150      0.471379012       1.96714997    
 H   -3.03487635      0.272359580      0.740771115    
 O    3.16115952      -2.00782633       7.25096560    
 H    2.28868175      -2.33992863       7.00797462    
 H    3.10150170      -1.04534066       7.27202034    
 O    6.38441753     -0.853972793       4.50691319    
 H    6.14548254      -1.53200567       5.15115452    
 H    5.91474390      -5.33428788E-02   4.76440763    
 O    5.53251648      -2.88501430       6.30805588    
 H    6.00418472      -3.33589482       7.00286818    
 H    4.68340158      -2.59281111       6.68660164    
 O    3.08970428      -1.36946058       3.15374446    
 H    2.61697674     -0.798897505       3.77397537    
 H    3.60700393     -0.812919021       2.55806780    
 O   0.626900494      -3.10119557       6.46561861    
 H   0.225837499      -3.75515652       7.03331661    
 H   0.907655478      -3.57007194       5.65904379    
 O    2.99290681     -0.674097240     -0.699402869    
 H    2.11538601     -0.382137001     -0.418826252    
 H    2.97417593      -1.63878691     -0.682298303    
 O    4.21168947      -3.74643803       3.97769952    
 H    3.87347674      -2.86986017       3.72854614    
 H    4.74130964      -3.61212468       4.77117348    
 O   -1.62591231       1.22953188       3.47650385    
 H  -0.770731151       1.62090611       3.25296164    
 H   -1.45535505      0.567075074       4.15645790    
 O    2.94707227      -3.52300358     -0.266508162    
 H    2.99075627      -4.20645523     -0.929636836    
 H    3.75577569      -3.60134435      0.271710128    
 O    5.12244606      -3.67921638       1.33661246    
 H    5.76434708      -2.96448064       1.42224526    
 H    4.85818052      -3.89183354       2.24227929    
 O    3.10166717      0.833688378       7.04842854    
 H    3.82832503       1.12500596       6.47255754    
 H    2.96596575       1.52090895       7.69614744    
 O    1.49768114      -4.33230209       4.20688963    
 H    2.46509981      -4.30251408       4.18156624    
 H    1.21229863      -4.00866747       3.34716010    
 O  -0.808356166      -1.09799802       5.06401014    
 H   -1.08539808      -1.56486440       4.25922680    
 H  -0.450726181      -1.77081084       5.65622091    
 O   -1.44821084      -2.32031894       2.68507051    
 H  -0.602162361      -2.57629204       2.29579282    
 H   -1.82764566      -1.66236186       2.08948040    
 O    5.06194067       1.62138438       5.27207947    
 H    4.59830761       1.87783325       4.45321608    
 H    5.75937748       2.26020074       5.39895868    
 O    3.84631228       2.26419187       2.96880198    
 H    2.90001869       2.34222865       2.80146861    
 H    4.17487955       1.62394738       2.31997156    
 O   0.546787083     -0.159369320      0.645198405    
 H   0.730532825      -1.02833700       1.02391696    
 H  -0.415189892      -7.23628625E-02  0.641675293    
 O    1.57014596      0.216661081       4.78632069    
 H    1.95836937      0.462030113       5.63220692    
 H   0.730102003     -0.238418996       4.94361401    
 O    1.18464422      -2.74845386       1.75199151    
 H    1.83603549      -2.26971316       2.29002857    
 H    1.67229986      -3.12895513       1.00997591    
 O    6.82481718      -1.44782805       1.88986504    
 H    6.70715952      -1.26128614       2.83888721    
 H    7.75344992      -1.34145629       1.70163834    
 O    4.59055948      0.163652673       1.35192657    
 H    4.11062241      -8.30515027E-02  0.546886325    
 H    5.41445112     -0.336075127       1.38491464    
 O    1.04968762       1.83851719       2.62920165    
 H   0.958882987       1.22297215       1.88926065    
 H    1.27104032       1.30019963       3.40604115    
          69
 Energy    -249.55953271852195     
  O     18.07465138     10.59045535    -13.82846370
  H     18.31338449      9.64561848    -13.87007457
  H     15.72931477      4.27745717    -13.68229048
  O     16.25246581      4.13609999    -15.47644978
  H     18.89270019     11.07929902    -13.83047832
  H     12.67632447     10.01300666    -11.66362691
  O     12.44634665      7.83490807    -13.91650377
  H     15.37103837      4.39820104    -15.79833572
  H     12.42722904      8.62245839    -12.28779435
  O     11.88371816      6.96748361     -9.70881311
  H     16.48157691      3.32917550    -15.93095829
  H     15.27074657      9.16647648    -13.63046125
  O     13.73804732      4.90668456    -16.14791998
  H     12.04689395      8.28677190    -14.66717291
  H     15.70692962      7.69134962    -13.51139842
  O     16.01618262     10.93630011    -15.84551001
  H     13.40584345      7.97252144    -13.98688865
  H     18.46912333      7.45669740    -14.66993289
  O     17.81708968      6.49771280    -16.06589982
  H     11.99347343      7.76867786    -10.23747289
  H     18.10234272      7.51580756    -13.17625826
  O     14.50068637      6.46284958     -8.61703928
  H     12.69998914      6.86632096     -9.20379313
  H     10.87996267      9.69006532    -16.42937274
  O     15.71159013      8.26785189    -16.71374522
  H     13.50047583      5.70996972    -16.62407465
  H     12.30956886      9.97880506    -15.90647845
  O     11.55353079      4.60000039    -11.00133373
  H     13.22508065      4.90179272    -15.32899560
  H     13.26579362     11.38642235    -14.27511607
  O     14.30343153      4.28708737    -10.22633025
  H     16.76284199     10.89421347    -15.23781120
  H     14.27137908     11.15339501    -15.43803110
  O     15.28337720      4.51359505    -12.85930730
  H     16.01721351     10.09600640    -16.32414301
  H     12.48509502      6.07169742    -13.65756656
  O     12.57440569      9.07897974    -11.44665855
  H     17.15724649      7.08878201    -16.45224562
  H     12.16963104      4.86232285    -12.74007296
  O     15.12711213      8.28855527    -14.00191805
  H     17.35045407      5.67921398    -15.86170724
  H     12.62729282      8.01528991    -17.17087134
  O     18.61425657      7.96706714    -13.85990813
  H     14.79359200      6.20976027     -7.74598061
  H     12.87642436      7.29236953    -18.51248613
  O     11.71595883      9.27606456    -16.23411410
  H     14.50659523      5.65484460     -9.16174215
  H     13.30820430     12.53252596    -11.98799444
  O     13.33227334     11.12847099    -15.20026460
  H     14.91331483      7.94755046    -17.14665765
  H     14.25522091     11.35567105    -12.32517467
  O     12.62936803      5.12009327    -13.54831314
  H     15.52539801      8.24378274    -15.76131222
  H     16.23956601      5.96248400    -12.35176832
  O     13.16450433      7.33310274    -17.60299079
  H     11.58768590      5.46151791    -10.54800939
  H     16.18003133      7.29399681    -11.53412633
  O     13.33107239     11.66071259    -12.37445890
  H     10.77827322      4.14899573    -10.67798492
  H     15.81674925      9.85447217    -11.57790956
  O     16.67363759      6.81521750    -12.21288306
  H     14.77579835      4.23171964    -11.06699304
  H     16.65077101     10.59292278    -12.69508491
  O     15.78216939     10.52033083    -12.27732208
  H     13.36606031      4.23269503    -10.45044483
  H     15.03636978      7.82905194     -9.74217319
  O     15.16078057      8.42478816    -10.49202075
  H     14.37225760      4.73612106    -13.09986915
  H     14.27410544      8.61714090    -10.82919729
          69
 Energy    -249.55928352664046     
  O     18.37997609     11.58699304    -18.91106639
  H     19.27969632     11.91164068    -18.72389828
  H     20.21644385     15.25010780    -17.05268321
  O     19.01279993     17.90940890    -14.56299403
  H     18.44594646     11.01366984    -19.66988716
  H     14.66621112     13.98951832    -13.93035406
  O     22.02526491     11.84407534    -15.80924206
  H     18.60910965     18.09060987    -15.42016462
  H     14.66757848     12.47102124    -14.16204365
  O     16.12276602     15.12904954    -13.28292416
  H     19.97735776     17.97918293    -14.64236590
  H     23.12937920     14.91877424    -15.66240385
  O     15.32867423     13.39646921    -16.94870654
  H     22.64025346     11.14172768    -15.61789922
  H     22.68937326     14.59647741    -14.21584643
  O     15.96414666     11.03136448    -13.96084464
  H     22.44981362     12.67616457    -15.52938771
  H     18.45590229     12.76486353    -13.44376876
  O     20.81576753     12.55863216    -18.29425349
  H     16.53118386     15.88981951    -12.85200683
  H     17.11856967     12.21004314    -12.93563550
  O     22.97678457     16.35816463    -16.87455078
  H     16.69589172     14.37107142    -13.09786968
  H     16.80740724     18.66349575    -17.20401688
  O     17.72504633     17.21722201    -12.27992807
  H     16.02164191     12.74599759    -16.76969727
  H     17.01941473     17.23693820    -16.64662271
  O     19.49926067     12.59955746    -14.87669479
  H     14.75032757     13.37936776    -16.17233541
  H     22.54779217     15.60679293    -11.95702969
  O     16.98840070     14.11572984    -19.14597124
  H     16.41481244     11.09666947    -14.81921292
  H     21.11489371     15.29867306    -12.43731605
  O     20.68361458     15.33597746    -17.89563979
  H     15.72934935     10.11373783    -13.84570473
  H     22.17055237     17.30029937    -15.43555330
  O     14.21182323     13.28533751    -14.40954506
  H     21.28752037     12.25261590    -17.51107634
  H     21.85665688     16.96602280    -13.96171713
  O     23.03461681     14.20007804    -15.02562355
  H     20.82955470     13.52457113    -18.25805139
  H     18.89844722     15.77253999    -11.90069572
  O     17.76971031     12.90197236    -12.77187580
  H     23.57692014     16.68033113    -17.54150679
  H     18.93500819     14.23450462    -12.00720098
  O     17.48225474     18.03134966    -16.96709270
  H     22.19066355     16.02252443    -17.34052149
  H     17.65881191     11.40903084    -17.22187378
  O     22.01024552     15.52617812    -12.74146723
  H     17.58235726     17.98164175    -11.72820103
  H     18.13208352     11.89285357    -15.83276956
  O     21.69159136     17.61371866    -14.65915821
  H     18.17128131     17.52990367    -13.08701401
  H     18.25440894     15.26000017    -15.82194212
  O     19.48997692     15.01063307    -11.86838724
  H     19.47971416     13.54246316    -15.10293687
  H     19.34452371     16.03998287    -15.07954179
  O     17.36996370     11.53082346    -16.30803713
  H     20.36278928     12.25659554    -15.13269492
  H     18.20069850     17.03529011    -18.53022901
  O     19.18421021     15.21958363    -15.55755426
  H     16.24132557     13.93391634    -18.56375026
  H     17.95680605     15.66838908    -19.22327568
  O     18.56263450     16.42455610    -19.18061162
  H     17.48615322     13.29030167    -19.17653307
  H     16.05931567     14.96373464    -16.42523052
  O     16.47604587     15.70340531    -15.96514900
  H     20.04648592     15.74828032    -18.49789516
  H     16.30276515     15.57744558    -15.02182834
          69
 Energy    -249.55908524135921     
  O     20.28039019      9.44043936     -8.88229890
  H     20.04601654      8.86217700     -9.62590729
  H     19.26622598      7.94398845     -5.85350856
  O     17.70522141      5.97998657     -9.83336457
  H     20.02985943      8.96817537     -8.08177783
  H     19.06332749     11.61903557    -10.83246529
  O     18.26552940      5.04346071    -13.87395066
  H     18.23069063      5.25315510     -9.47757517
  H     19.33170633     10.86706706     -9.50924315
  O     19.67870169      7.41810533    -14.64563962
  H     17.38263190      6.53052739     -9.10906864
  H     23.15585829      8.57736143     -9.76373994
  O     23.31476813      6.68936385     -9.45537615
  H     17.85502095      4.48280515    -14.52793872
  H     22.04332937      9.58895121     -9.47056808
  O     16.38017924      6.10718555    -12.21711698
  H     17.54515053      5.41559148    -13.33655722
  H     18.82112489     10.16089434    -12.94296219
  O     22.27863255      7.85921027    -14.07489251
  H     19.17094168      8.11099116    -14.20104318
  H     18.81855382      8.77102945    -12.25768161
  O     21.14458722      5.92691956     -8.01706868
  H     19.23664311      6.58685633    -14.43793182
  H     19.46812504      4.39593572    -12.54357799
  O     14.25130845      6.92475077     -8.11041190
  H     22.56133231      6.43099072     -8.89423018
  H     20.77474389      4.86580587    -11.87207007
  O     21.82444216      6.33393313    -11.78943638
  H     24.09005040      6.28183663     -9.07909791
  H     14.49833026      6.35085154    -11.28226623
  O     19.55243081      7.75839886    -10.95884114
  H     16.80762861      5.94516932    -11.36161878
  H     14.39321304      7.85701944    -11.21677755
  O     19.31050366      7.76702089     -6.79019553
  H     16.20892363      7.05843830    -12.23629116
  H     15.76603846     10.80123568     -9.10133890
  O     18.69791808     11.44596751     -9.95696938
  H     21.35668487      7.70125305    -14.35046186
  H     17.21419262     10.66181211     -9.62753935
  O     22.87782799      9.48168216     -9.94729963
  H     22.81790569      7.78559682    -14.85729867
  H     16.04090688      9.32759574    -11.05106868
  O     18.42053358      9.28361835    -12.97943176
  H     20.53038112      6.51815374     -7.56698181
  H     16.68842179      9.11390300    -12.42537521
  O     20.08428099      4.18787447    -11.83214674
  H     20.61497765      5.20740158     -8.38231462
  H     22.43293016     10.00874411    -11.61632366
  O     13.99408229      7.05334572    -10.85813349
  H     13.43633296      6.61876259     -7.72217796
  H     22.19273871      9.47244652    -13.05140257
  O     16.40173349     10.16541236     -9.42063623
  H     14.09536862      6.96152189     -9.06882069
  H     16.74053989      8.65269041     -8.43247090
  O     15.90066389      8.89929115    -11.90553951
  H     22.12737713      6.83468724    -12.55757401
  H     15.91579812      7.47627992     -7.85351372
  O     22.07006463     10.24057909    -12.48389584
  H     22.45098155      6.46147527    -11.06588893
  H     20.65948764     11.19892302    -12.53247419
  O     16.81557696      7.82708909     -7.93418410
  H     20.33351254      7.27776460    -11.26273215
  H     19.97048709     12.47947394    -13.06211607
  O     19.81194720     11.68135319    -12.56631949
  H     18.92824563      7.11059611    -10.60799541
  H     19.41725917      3.02528544     -8.96985317
  O     19.49998085      3.94150118     -9.21858698
  H     18.39566462      7.77063663     -7.11763943
  H     19.72305409      3.95886838    -10.16850031
          69
 Energy    -249.55907099772395     
  O     17.42362642      7.58336291    -16.25969877
  H     16.60677234      7.38037171    -15.77523426
  H     16.64839195     10.33449959    -17.86771704
  O     14.46305997     10.50459684    -11.57498156
  H     17.76505684      6.75053776    -16.57790989
  H     14.59167372     10.40000928    -17.18007857
  O     17.58598978     15.61804901    -13.93141638
  H     13.84218733     10.66801395    -12.29943124
  H     14.12029240     10.56367037    -18.64654334
  O     15.18855863      7.28993971    -14.68154617
  H     14.98075741     11.31389107    -11.46457213
  H     18.32212791     14.19087960    -12.80394261
  O     12.95327208      8.75724215    -10.11488940
  H     18.12841771     16.40119950    -13.97911189
  H     18.81762771     12.73066662    -12.86511976
  O     14.45422986      6.54433507    -11.13724360
  H     17.66474774     15.17501056    -14.79550596
  H     13.82401586     13.51412233    -15.22490752
  O     16.23498617     11.61362297    -14.34308017
  H     14.38208476      6.82827227    -14.42069546
  H     13.78162317     14.21272326    -13.86389826
  O     12.71860043     10.95983823    -13.71236053
  H     15.56900937      7.65662472    -13.86754233
  H     18.26076650      8.34392840    -14.66866110
  O     16.15737128      8.35918915    -12.33138826
  H     13.53040764      9.42441030    -10.52614362
  H     17.80062018      8.62199881    -13.22166902
  O     19.01506237     11.44082675    -14.16115679
  H     12.72762627      9.08525060     -9.24851271
  H     12.18581816      5.60644770    -13.73293939
  O     14.50101893      9.83124579    -15.52041597
  H     13.91732536      7.18718745    -10.65512054
  H     12.38305637      7.07766795    -13.29880594
  O     17.54794062     10.10775186    -17.60465249
  H     13.91977175      6.28091446    -11.89566126
  H     15.90348776     15.43693791    -13.25111763
  O     14.80979088     10.81040117    -18.03600448
  H     17.19625411     11.52097777    -14.34370735
  H     14.77912435     16.09505861    -12.42239352
  O     18.50339511     13.41699771    -12.25829578
  H     15.99949023     12.01028736    -13.49632145
  H     18.32789883     13.62370771    -16.53439280
  O     13.30711778     13.57700268    -14.41100015
  H     13.21751283     10.52388085    -14.41737057
  H     16.84513513     14.04941709    -16.50882511
  O     18.51814983      8.78114628    -13.84985122
  H     12.78396259     11.90915796    -13.89035679
  H     15.48103463     13.64907672    -12.00287333
  O     12.85273165      6.26663695    -13.56532375
  H     15.73627648      7.64872241    -11.82459908
  H     16.85007001     12.95847022    -11.78362330
  O     15.03579487     15.27887160    -12.84532956
  H     15.67635341      9.16606714    -12.10766263
  H     15.62817839     12.64431410    -15.70623568
  O     17.74057440     14.35352051    -16.30576726
  H     19.26723208     11.61260131    -15.07602447
  H     15.05806574     12.47917123    -17.13513203
  O     15.89184953     12.80784257    -11.77284824
  H     18.97270067     10.48070915    -14.02837365
  H     11.94547254      8.60617613    -11.74273925
  O     15.23974463     13.13302775    -16.45044313
  H     14.67295018      8.91227381    -15.28260262
  H     11.85736714      9.41046618    -13.05667726
  O     11.67969274      8.54364046    -12.66890335
  H     15.16874896     10.38003339    -15.07779859
  H     20.05965822     11.99051815    -17.48609280
  O     19.31039538     12.03149385    -16.89781948
  H     17.50130567      9.24464370    -17.17586423
  H     18.68744100     11.34151899    -17.18942068
          69
 Energy    -249.55889086695865     
  O     13.58226788     11.88446286     -8.63973282
  H     13.58795009     11.69757256     -7.70430085
  H     11.55018950     13.80864094    -13.44197173
  O     11.04243596     10.89566933    -15.14294411
  H     13.86476050     11.06663979     -9.08862833
  H     13.36812062     14.83718973    -11.87330656
  O     14.18353362      9.61957258    -10.00457604
  H     11.27024779     10.97418090    -16.07720143
  H     13.41645972     13.40968751    -12.45677790
  O     18.56482491     13.25377540    -13.19055620
  H     11.00158965     11.79491410    -14.78748472
  H     11.87215052     13.88386830    -15.64011798
  O     11.49331316     12.42176061    -10.43289575
  H     14.89232517      9.36692049    -10.60496916
  H     12.29920534     13.12683921    -16.91196442
  O     11.72523711      9.72522378    -11.34521569
  H     13.34815110      9.43378754    -10.45529624
  H     15.30732579     12.02849668    -12.49627348
  O     13.17597659      9.87433514    -13.70115462
  H     18.25219193     12.67309178    -13.90946180
  H     14.08394515     11.34542890    -13.20977589
  O     14.88805053     15.78782312    -11.37134677
  H     19.50106930     13.37731308    -13.31852615
  H     16.72205724     12.35695359    -15.39381653
  O      9.50630371      9.89257619    -12.97088074
  H     12.09564906     12.28165834     -9.69174424
  H     16.92664836     10.91770798    -14.88651799
  O     15.07595505     13.33665688    -15.44262484
  H     11.93296567     13.06332921    -11.01110224
  H     12.99270482     11.06811032    -17.45548903
  O     14.59918123     10.81846172    -16.80630430
  H     11.66996079     10.63704900    -11.02947378
  H     11.95958379     11.10856617    -18.60761775
  O     10.85523954     13.47718262    -14.02967053
  H     10.91036654      9.57820185    -11.84760746
  H     17.19324899      8.66029082    -11.31179140
  O     12.80843607     14.11147668    -12.17029292
  H     12.73375903      9.70062994    -12.86014546
  H     16.70500952     10.10143125    -11.58987500
  O     12.53621340     13.86723271    -16.33994002
  H     12.48727134     10.17736793    -14.30836675
  H     16.15932720      9.19763552    -13.64419215
  O     14.50498785     12.19095103    -13.00601084
  H     15.44155956     15.57918162    -12.14550039
  H     14.82993965      9.48649234    -14.31993888
  O     17.39474138     11.74138094    -15.07531172
  H     15.02596706     16.71105294    -11.17761486
  H     16.50945111     12.42524750    -10.78970664
  O     12.09201002     11.35128787    -17.69550142
  H      9.92004363     10.09039682    -13.82203596
  H     17.52539838     12.33413139    -11.97611348
  O     16.49257318      9.16071751    -11.72380488
  H      9.20000597     10.74354140    -12.63452373
  H      9.88652333     12.51494276    -11.28987229
  O     15.78229837      9.44293300    -14.49767896
  H     14.23487756     13.65764371    -15.80066177
  H      8.40786952     12.93553866    -11.43123773
  O     16.85931156     11.84201246    -11.48127983
  H     14.87912455     12.92771285    -14.58407517
  H     17.19046763     14.57197950    -13.38722548
  O      9.14401716     12.56726997    -11.91407733
  H     14.80438903     11.68826752    -16.44089095
  H     15.95075643     14.68553767    -14.29393871
  O     16.38671713     15.08606277    -13.53305967
  H     15.06321493     10.19014601    -16.24394435
  H     14.88948077     13.09713352     -9.34040002
  O     15.65134373     13.53124037     -9.74310888
  H     10.11521762     13.26423542    -13.44871850
  H     15.33361928     14.32478173    -10.18980894
          69
 Energy    -249.55847889815112     
  O     -2.96311973      4.97094232      3.18948928
  H     -2.93988308      4.40427937      2.39929671
  H      1.12403460      6.58949970     -2.91468107
  O      1.34932399     10.74847840      0.71503073
  H     -3.58150196      4.57246922      3.79655722
  H      2.10961648      2.90336624      3.02467000
  O     -0.84254725      8.74869417     -1.71441084
  H      0.57160748     11.04976332      0.22809829
  H      0.92446799      3.86197246      2.75759178
  O      0.46073117     10.34179292      3.24685840
  H      1.52517481      9.85251659      0.39674979
  H     -0.82454539      5.47651129     -3.51665891
  O     -2.11665381     10.39874378      1.97002800
  H     -1.00333829      9.65481906     -1.42507917
  H     -2.31657473      5.08592326     -3.20039882
  O      1.29631827      8.03688225     -0.09287537
  H     -1.55601541      8.20554932     -1.34740815
  H     -1.10117337      1.81892839     -2.19132298
  O     -2.60511001      7.03200175     -0.47093459
  H      0.90343118     10.87127608      3.90391997
  H     -1.68827806      2.96795703     -3.03615152
  O     -2.54975041      7.61499530      2.24624340
  H      0.85782045     10.56689655      2.38562699
  H     -1.05816517      5.00536901      3.42389050
  O     -0.88418065      4.87642146     -0.58857926
  H     -2.46495929      9.50688299      2.09566720
  H      0.10101545      5.97743432      3.10823542
  O     -2.67854161      3.45117484      0.93639607
  H     -1.33546303     10.45660530      2.53449393
  H     -3.40203592      2.47277768     -1.78609401
  O     -0.60770787      1.53599672      1.27623824
  H      0.54647647      8.25943961     -0.66477788
  H     -4.91371490      2.22308044     -1.57557798
  O      0.35213476      6.83476496     -3.43677986
  H      1.82765923      7.39250610     -0.57315414
  H      1.37591479      2.95051610     -0.77889569
  O      1.48004187      3.16676207      2.35915780
  H     -1.95425282      6.31346775     -0.45966476
  H      1.73957550      3.59540621      0.58530970
  O     -1.41939522      4.73892111     -3.32140314
  H     -2.73080915      7.29551167      0.44875315
  H     -4.14941214      4.63435579     -1.99413930
  O     -1.90981698      2.12228312     -2.61733670
  H     -2.83102722      6.78117653      2.64077063
  H     -3.66622531      6.08111740     -1.73032552
  O     -0.09821119      5.06845085      3.37331207
  H     -1.58157874      7.62280870      2.29761272
  H      0.37176888      8.51346883      2.86019275
  O     -4.18853175      2.77472865     -1.29515487
  H     -1.05026151      4.77008051     -1.53748094
  H      0.63172615      7.71427874      1.55465932
  O      1.69858902      3.76336776     -0.36618768
  H      0.01989127      4.58802992     -0.42997522
  H      2.31769913      5.20883838     -1.22447813
  O     -3.92645303      5.46568881     -2.42903959
  H     -2.01622238      3.95572892      0.43896411
  H      3.43077937      5.95266431     -1.99534520
  O      0.24129888      7.65512604      2.43845233
  H     -3.33012603      3.16365032      0.28411844
  H      0.06000698      1.32232266     -0.32067259
  O      2.54550416      6.05006586     -1.65245162
  H     -1.39123262      2.10059012      1.25427747
  H      0.83603825      0.49159443     -1.37317471
  O      0.48198963      1.35995901     -1.19844315
  H      0.06736734      2.02346508      1.76507706
  H     -1.67522138     12.03452840     -0.73047279
  O     -1.22120917     11.24034480     -0.46185477
  H     -0.05033543      7.58801395     -2.98393152
  H     -1.62102222     10.95892360      0.38056072
          69
 Energy    -249.55839492190415     
  O     14.51047625     10.03778793    -14.22967113
  H     13.77964682      9.41303819    -14.25755076
  H     16.33232040      3.22827291    -19.02923892
  O     14.17875051      4.09534054    -16.87181284
  H     14.79233683     10.17833782    -15.14658361
  H     19.46872310      5.38489474    -16.11590254
  O     18.15619919      5.49268417    -12.16435042
  H     14.15793943      3.78343145    -15.95968296
  H     20.28530866      6.32662075    -15.20818998
  O     19.38612156      7.51119925    -18.21986721
  H     13.94618471      5.03390398    -16.82498587
  H     17.34377610      8.15848372    -15.99343580
  O     16.75810914      6.73114793    -19.05016595
  H     18.93186137      5.91083717    -12.55922301
  H     18.43072492      8.57101148    -17.01517920
  O     13.54061020      6.14620684    -12.66555399
  H     17.86837646      4.79298160    -12.76787148
  H     15.49355017      6.80159083    -15.74112639
  O     14.21952047      3.76277385    -14.04327910
  H     20.12161492      7.75286140    -18.77603542
  H     16.25223095      6.94441094    -14.38347084
  O     16.04107100      7.17414622    -12.55901477
  H     19.74847511      6.97398074    -17.49222336
  H     11.54093706      8.17470665    -14.16816385
  O     17.84580364      4.56918455    -16.12254586
  H     17.66511510      6.95921473    -18.81396549
  H     12.75484720      7.33393013    -13.70580694
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  H     16.65996904      5.78286253    -18.90222106
  H     17.02332256      4.20315906    -10.89893135
  O     18.89179199      9.23783574    -13.75471519
  H     14.42372874      6.53311276    -12.54680027
  H     16.66834268      3.12586603    -11.89818381
  O     16.37722061      3.96921555    -18.43142350
  H     13.47381189      5.40146383    -12.05630901
  H     13.27217321      7.30037075    -15.87643847
  O     20.20179474      6.01779352    -16.11738126
  H     14.04243684      4.69909690    -13.88043663
  H     13.96762985      7.39856026    -17.28041764
  O     17.86445543      8.91128821    -16.31325129
  H     13.93989008      3.34217684    -13.22286476
  H     19.78249575      7.78557033    -13.49462743
  O     16.36574145      6.77137594    -15.32645699
  H     16.81378245      6.64461675    -12.31572230
  H     21.08532946      7.12646434    -12.98332653
  O     12.45885931      7.99511621    -14.35527543
  H     16.23486480      8.10588117    -12.39822669
  H     17.43698752      3.64961289    -14.60641234
  O     16.44251748      3.44377547    -11.01233766
  H     17.45174037      4.26133100    -16.94709601
  H     16.07305091      3.53065173    -13.91155815
  O     13.82720819      6.83075529    -16.51059958
  H     17.33562700      5.34791489    -15.84705022
  H     15.38751418      7.77412630    -18.88737880
  O     20.24542832      6.93380664    -13.39261791
  H     13.28270886      3.20412912    -10.51586734
  H     14.21437514      8.48927903    -19.59893102
  O     17.02170820      3.41598161    -13.76530171
  H     14.67576757      3.60852763    -11.04297330
  H     16.34845483     10.60454108    -11.75793630
  O     14.58711820      8.31082248    -18.73999653
  H     18.61106679      9.24414615    -14.68097561
  H     15.76507809     10.02688925    -13.07056334
  O     16.47365804      9.91933663    -12.40816725
  H     18.13580611      9.55668036    -13.24906244
  H     15.10809225      9.70438377    -17.52337843
  O     15.45757734     10.24495595    -16.80644712
  H     15.55531842      3.96013938    -17.90715571
  H     16.36350474      9.93184677    -16.67368267
          69
 Energy    -249.55696906501919     
  O     13.47513040      9.73457155    -16.44887591
  H     13.99072089      8.97669802    -16.75540131
  H     17.85668338      9.93507097    -17.20526243
  O     16.88681877      6.48092252    -12.64112269
  H     14.08647976     10.47960154    -16.40869318
  H     16.46343851      9.19719864    -14.36322441
  O     18.27161614     10.81646752    -12.20870675
  H     17.65191714      6.90625762    -12.23201843
  H     17.40832414      8.09946514    -15.00229284
  O     14.40566854      5.09187218    -15.85801256
  H     16.63322039      7.07009261    -13.36953392
  H     12.50988233      9.27646313    -15.08842096
  O     14.86177669     10.40435775     -9.74368621
  H     18.09643999     11.07091772    -11.29468642
  H     11.10572793      9.16722859    -14.44644198
  O     14.50156677      7.00703690    -11.42015195
  H     17.42242085     10.86859342    -12.67567145
  H     17.84116290      9.38694829     -9.19883315
  O     15.94494280     10.80286485    -13.59576243
  H     13.90770981      4.30846547    -16.07524306
  H     18.34667010      8.15960209     -9.97632775
  O     15.25748037      7.72804684     -8.80606839
  H     13.94659243      5.51472769    -15.10954789
  H     12.70624379      7.21094979    -14.01402085
  O     18.74785584      7.07735872    -15.88219806
  H     14.87335481      9.53178450     -9.32951033
  H     13.52488296      6.46588730    -12.94145963
  O     17.17793381      4.97491672    -15.02677262
  H     14.41595288     10.28421043    -10.59148023
  H     19.28169170     10.89230024    -13.69381645
  O     20.52463213      8.10373009    -14.01176546
  H     14.64990694      7.14736138    -10.47761929
  H     20.40337752     11.52944582    -14.53912848
  O     17.82764252     10.75730688    -16.70254051
  H     15.35534994      6.73560348    -11.79165398
  H     18.67714244      9.00778424    -11.87009700
  O     16.51711371      8.28753277    -14.67603835
  H     15.17065751     10.43515481    -13.14510474
  H     19.63526806      7.94987188    -12.43029168
  O     12.02865907      8.98345097    -14.29399587
  H     15.65619906     11.25749792    -14.39571268
  H     16.49115007     11.02680596     -9.64295871
  O     17.85433301      8.42218578     -9.18712664
  H     15.14990946      7.31525045     -7.95356142
  H     17.50612186     11.95049545     -8.92821046
  O     13.14958806      6.37524383    -13.82659652
  H     16.21145220      7.89098663     -8.92056947
  H     16.66057805      8.00124520    -17.84505628
  O     19.73831605     10.84412589    -14.55016499
  H     18.26385137      6.26123962    -15.67769944
  H     17.56232987      8.13895657    -19.09413736
  O     18.97504538      8.09781985    -11.73799270
  H     18.49146779      7.35982738    -16.76660345
  H     14.11505977      8.69870641    -11.98610872
  O     17.43709342     11.24985122     -9.57098156
  H     16.26461315      4.93252332    -15.33357864
  H     13.14314086      9.48170012    -12.89994944
  O     17.54086107      8.27874748    -18.15092933
  H     17.12891038      5.25220480    -14.10191392
  H     16.28158471     11.46595586    -16.40326916
  O     13.86286230      9.59110876    -12.26648619
  H     20.42177441      9.03509710    -14.23800404
  H     15.34766051     12.69728762    -16.50042820
  O     15.40566344     11.81203479    -16.15130913
  H     20.02736339      7.62880265    -14.69316606
  H     15.58599574      7.83729853    -16.09304317
  O     15.18019547      7.55480112    -16.93056151
  H     18.52222985     10.72177949    -16.03373134
  H     14.85289237      6.66275615    -16.76432009
          69
 Energy    -249.55692620564116     
  O     -2.00724880      4.24431141      4.27995266
  H     -1.31406039      3.59781018      4.09057395
  H      0.44443903      2.22476671      1.95941387
  O      1.32558598     -0.56712367      2.03873855
  H     -2.42525040      4.44119807      3.43260621
  H     -3.99190199      3.70495306      6.70802627
  O     -2.59287888     -1.72914403      2.67433342
  H      1.35698483      0.30570668      1.63099642
  H     -3.18515281      3.56989319      5.39671443
  O     -3.60018805      2.14174903      0.51534770
  H      0.68363077     -1.07120494      1.51941179
  H     -5.96613912      2.85299790      3.24311452
  O     -2.65883609     -0.44775002     -2.40120642
  H     -2.57682115     -0.76122400      2.74231751
  H     -5.08052332      3.44538737      4.37598400
  O     -0.80670156     -1.66302500      0.60761373
  H     -3.49187869     -1.94804329      2.39706433
  H     -1.24222700      1.71250017      3.30657763
  O     -6.25068077     -0.96204629      4.33193304
  H     -2.75759333      1.82060431      0.16284746
  H      0.07634226      1.42846603      4.06521266
  O     -6.81149124      1.36455482      2.73255558
  H     -3.49441184      3.04907402      0.82834708
  H     -4.27280526      4.28235450      2.41300796
  O     -1.24281764      0.94106574     -0.33922219
  H     -2.14861239      0.14814231     -1.83976252
  H     -3.78924869      5.46747669      1.54097527
  O     -5.70473129      0.39419593      0.32427155
  H     -2.33744136     -1.33750832     -2.20575821
  H     -5.38758733     -1.09541077      1.33125327
  O     -4.60338955     -3.05946187     -0.64219829
  H     -1.10784300     -2.23486392     -0.10819400
  H     -5.66336989     -1.72967097      2.71205958
  O      0.87329703      2.14261168      1.09039528
  H     -1.41685008     -1.79397764      1.34931546
  H      1.00645894     -0.41651652      3.76076929
  O     -3.89430412      3.16581288      5.92754248
  H     -5.51189073     -0.48234953      4.74513894
  H      1.55938006     -0.39148110      5.20401923
  O     -5.41455332      3.61084141      3.48885386
  H     -6.76111967     -1.34333727      5.04160169
  H     -2.08996924     -1.56683413      4.51465275
  O     -0.37992807      2.09537797      3.53786697
  H     -6.76550171      0.58210743      3.29315808
  H     -0.95831503     -0.81181490      5.22262605
  O     -3.53797027      4.60238848      1.85386747
  H     -6.58937937      1.06382932      1.84165093
  H     -3.32233176     -0.05324605      5.48643876
  O     -5.24794007     -1.89741611      1.85750028
  H     -1.13306164      0.04138293      0.00297502
  H     -4.03442263      1.34321186      5.68230994
  O      0.78826371     -0.18614645      4.68187105
  H     -0.48936812      1.44105791     -0.00350837
  H     -4.40552407     -0.58153110     -2.32462070
  O     -1.86730036     -1.11183027      5.33851359
  H     -5.72766684      0.04477177     -0.57440944
  H     -5.76582335     -0.67704764     -3.05697677
  O     -4.13671384      0.45064445      5.32879212
  H     -4.99402305      1.05267571      0.34335411
  H     -2.93577245     -3.15792233     -1.14073635
  O     -5.35326918     -0.77125647     -2.20285012
  H     -4.86763486     -2.83941052      0.26019232
  H     -1.82998559     -3.89835435     -1.93141497
  O     -2.02184296     -3.08602187     -1.47116048
  H     -4.99232535     -2.37810342     -1.20535018
  H     -3.42766374      0.95080668      3.65354212
  O     -2.80529771      1.00593138      2.91808596
  H      1.46354854      2.88652231      1.00270089
  H     -3.24153430      1.40848450      2.15836515
          69
 Energy    -249.55587651659923     
  O     12.82747819     12.73791229    -11.91350376
  H     12.20353020     12.73671158    -12.65088712
  H     16.27501435      3.73593469    -14.97602850
  O     13.38987609      8.72230522    -15.31052306
  H     13.70088366     12.60298303    -12.29987796
  H     18.21022900     11.87448241    -15.18281067
  O     18.03366757      8.54143516    -10.87826995
  H     13.69781270      8.48111711    -16.19182008
  H     17.63850904     10.44859741    -15.01174618
  O     16.82978438      6.80537820    -16.47545924
  H     14.15128330      8.60234793    -14.72006246
  H     16.34868838      8.33219164    -14.09253016
  O     13.24867010     11.46687647    -15.34529928
  H     17.70156343      7.71624575    -10.50069959
  H     15.58319005      8.81904315    -12.83807248
  O     14.40907070      6.30114962    -10.34753510
  H     17.26643688      9.11775010    -10.99068922
  H     12.08423606     11.68198098    -10.73415983
  O     12.01529378      7.78191461    -13.11435695
  H     16.47839686      6.06574579    -15.96522384
  H     11.30104610     11.48421340     -9.41256830
  O     15.66855455      9.95504919    -11.43477934
  H     16.08999630      7.22153129    -16.93490328
  H     17.52820302      5.49622758    -11.85732099
  O     14.78256677      8.37676378    -17.72252986
  H     13.20045766     10.49862732    -15.32768752
  H     18.46836809      6.07350457    -12.92287096
  O     14.13516786      5.90385154    -13.09627740
  H     12.40505856     11.79736209    -15.01524577
  H     10.63567912     10.29536077    -11.69014247
  O     17.96106922      8.72930803    -14.94690190
  H     14.26499328      5.99711886    -11.25497800
  H     10.75862031      9.18065360    -12.75416649
  O     16.07677578      4.63494928    -14.72672130
  H     13.98148891      7.16455036    -10.29159974
  H     19.04465127      8.04848591    -12.17808262
  O     17.39786591     11.39031868    -15.05695085
  H     12.49230738      6.94519977    -13.04596607
  H     20.46129447      7.68840602    -12.69373187
  O     15.50930541      8.26314642    -13.62390254
  H     12.32444034      8.16001491    -13.95112232
  H     17.26083731      5.49536959     -9.29263956
  O     11.60805299     11.02806787    -10.19097961
  H     15.48670625     10.70678785    -12.01546603
  H     16.10040602      6.10111808    -10.11466866
  O     17.81184023      5.38366102    -12.77314236
  H     14.82090415      9.62666316    -11.10277258
  H     16.14715777     11.14673990    -16.49695047
  O     10.34778384     10.03546996    -12.57448029
  H     14.53682264      8.32426360    -18.64245705
  H     14.62440246     11.29202400    -16.62230070
  O     19.53866788      7.67428293    -12.93173168
  H     15.06798128      9.29465896    -17.56202829
  H     12.79760526      8.51476597    -11.57956555
  O     17.06808427      5.99649100    -10.08037647
  H     14.58876650      5.27143571    -13.66314555
  H     12.65757462      9.54128706    -10.42578890
  O     15.40519892     10.95362171    -17.08176202
  H     14.63604026      6.72665679    -13.21668222
  H     15.99906977     11.84623332    -13.84623695
  O     13.21669316      8.83265787    -10.76791210
  H     17.69639773      8.03562881    -15.57142102
  H     14.47822236     11.76565171    -14.03101739
  O     15.16538592     11.91305549    -13.36465067
  H     18.59189156      8.35517332    -14.31836854
  H     10.12417623     12.72295414    -14.25481172
  O     10.92469083     12.26364385    -14.01642398
  H     16.71641799      4.87583151    -14.03119012
  H     10.65598456     11.44569839    -13.56079551
          69
 Energy    -249.55577244896295     
  O     11.96995146     13.08636595    -12.55771530
  H     11.82895581     12.12195316    -12.50033257
  H     13.68247074      8.56966405    -14.46991716
  O     20.45020140      8.04319301    -10.92925855
  H     11.10878900     13.49341156    -12.54446540
  H     15.35023808      9.81070733    -13.39404436
  O     17.62505059     11.52169621    -11.68787887
  H     20.69708538      8.42807180    -11.79005475
  H     14.88456360     11.30302525    -13.45068681
  O     16.44653473      7.18659682    -11.60215242
  H     21.25943492      7.91763563    -10.44128316
  H     13.82867525     11.66742577    -15.82886869
  O     18.93991271      6.11189416    -12.44171179
  H     17.41953432     12.41669424    -11.39412674
  H     13.22608297     11.40265603    -17.22961427
  O     14.01250849     12.64833708    -14.40455625
  H     16.83727581     11.21079603    -12.16557633
  H     16.46389599      8.74240501     -9.35133896
  O     17.81185675      8.90016072    -15.29003879
  H     17.03688239      7.90861879    -11.33605116
  H     15.64632125      8.28378322     -8.12669456
  O     17.95897672      9.15897423    -10.32611171
  H     15.82589163      7.12064857    -10.87287388
  H     20.69620666      8.30689825    -14.02691010
  O     16.63395056     10.99716364    -16.77556813
  H     18.02471499      6.27250849    -12.18091872
  H     20.44420180      9.77665754    -13.62393430
  O     19.73116101      6.88756749    -14.92817381
  H     19.48255977      6.63339372    -11.83694925
  H     16.91472215     13.85404196    -14.48406882
  O     18.11520313     12.97541928    -15.68080643
  H     14.72939368     13.29188403    -14.29494641
  H     16.42068844     14.21919181    -13.05281527
  O     12.88204411      9.08697479    -14.62864215
  H     13.28461721     12.89523657    -13.82121629
  H     15.66966494     13.72893340    -10.93418141
  O     15.38925198     10.66023090    -12.93736240
  H     18.23110232      9.61413106    -14.78896737
  H     16.73913427     14.78478518    -10.56827761
  O     13.79520062     11.02699779    -16.56227499
  H     18.44559485      8.17276167    -15.30913926
  H     14.04912006     12.13693791    -10.42042851
  O     15.58073102      8.45921860     -9.06220009
  H     17.90753180     10.03555524    -10.73317710
  H     13.34938082     13.23598222    -11.23008109
  O     20.96679511      8.99254959    -13.40434262
  H     18.85957118      8.82978370    -10.43784213
  H     18.91002453     11.73509856    -14.55717635
  O     16.17693289     14.22725746    -13.98592263
  H     16.97691775     10.16836401    -16.41737245
  H     18.68364854     11.22087274    -13.11537041
  O     16.57008506     14.04114562    -11.14008107
  H     15.67174903     10.93044289    -16.76763284
  H     12.13273286      9.90611480    -13.16560215
  O     14.08854305     13.07968305    -10.63053415
  H     19.42649018      6.52750780    -14.07603393
  H     12.43941262     10.20794247    -11.67291209
  O     19.12046127     11.01226591    -13.95296991
  H     20.06525344      6.15285495    -15.43534476
  H     14.50469641     10.35128094    -11.37868816
  O     11.83190191     10.41039608    -12.39539649
  H     17.54957206     12.31453645    -16.12140746
  H     14.45775383      9.63716125     -9.99654343
  O     13.99311862     10.26589890    -10.55950437
  H     18.54387369     13.47326190    -16.37216543
  H     16.26115523      8.30693131    -14.56341207
  O     15.46034326      8.11134108    -14.05648375
  H     13.10084188      9.66337530    -15.36995199
  H     15.74263186      7.67265584    -13.24354255
          69
 Energy    -249.55563913940512     
  O     17.52129038      7.94308359    -12.06886274
  H     17.01250977      8.70195102    -12.39938893
  H     15.85884638      9.91310118     -7.17586945
  O     18.54013473      7.35553637    -14.53910834
  H     18.11757906      8.30668846    -11.40083491
  H     14.42757702     11.92559052    -11.39486796
  O     11.49627954      8.99355989    -12.28876461
  H     18.84875555      6.45609262    -14.61237286
  H     14.20305337     10.66717726    -10.46554759
  O     15.15591412      7.01735515    -10.88093645
  H     18.18722338      7.45892043    -13.63914280
  H     18.56172370      8.42965076     -8.71810419
  O     19.02334026      9.38524920    -10.25209756
  H     11.76520541      9.61130871    -12.98612288
  H     17.73244838      8.86828281     -7.49871659
  O     20.67397099     10.77548651    -12.04820257
  H     10.54211757      9.00686533    -12.26442669
  H     17.19443994     12.20632713    -14.75294152
  O     17.28476240     11.44311665     -9.53299094
  H     15.38342062      6.70015610     -9.99749656
  H     17.36335887     12.63676932    -13.25514763
  O     16.79651439      8.87021933    -16.22519418
  H     15.99029764      7.26026575    -11.30448080
  H     16.77206521      6.97385920     -8.15510977
  O     13.34417832      6.85393166    -13.06319852
  H     19.70469424      9.79374781    -10.79990470
  H     16.07394463      5.65641004     -7.73961948
  O     14.45296485      8.77467288    -14.68654304
  H     18.39890787     10.09243422    -10.02752716
  H     15.57972177     10.39467863    -12.05605403
  O     12.46099378     10.60843431    -14.37784602
  H     21.59626385     11.01309838    -12.09033017
  H     16.36321108     10.82477705    -13.30604426
  O     16.68463938     10.39040181     -6.97826498
  H     20.42704093     10.44809621    -12.93166091
  H     19.52399790      8.98968074    -14.53654068
  O     14.81867041     11.37352227    -10.70125742
  H     16.39946636     11.47445033     -9.92743303
  H     19.33810407     10.43197830    -15.04915302
  O     18.09032911      8.09063030     -7.94566814
  H     17.15138403     11.22117525     -8.60388981
  H     17.54879289     10.44012289    -16.25116655
  O     16.71431328     12.46418237    -13.95705410
  H     17.36238005      8.25991193    -15.73570926
  H     18.23103327     11.58709654    -17.03494069
  O     15.95566659      6.45067320     -8.25330875
  H     15.91290041      8.77551084    -15.84634620
  H     13.99829241      8.38119060    -10.45879515
  O     16.02326514     10.04893498    -12.84065898
  H     12.61745399      7.40814452    -12.75619597
  H     12.64835509      9.05714348    -10.82037761
  O     19.88114831      9.88333404    -14.47074912
  H     13.93959799      6.75073546    -12.30829436
  H     19.27236240     12.09306337    -11.93174288
  O     18.03530942     11.27889399    -16.15403226
  H     15.01939266      9.21773115    -14.03476575
  H     18.08783576     12.38598757    -10.99946125
  O     13.37834540      9.07595819    -10.19079389
  H     14.09358444      7.98878160    -14.24981351
  H     13.49391527     12.05566832    -13.50082128
  O     18.47210106     12.62521613    -11.85237467
  H     13.16400304      9.97531774    -14.60566690
  H     14.88679335     12.72827729    -13.41318715
  O     14.02098725     12.67453062    -12.98408306
  H     12.06220130     10.88382955    -15.19992022
  H     14.90135445      7.97545732     -7.72756103
  O     14.52328882      8.85607925     -7.61017506
  H     16.57656309     10.78001065     -6.11489692
  H     13.98665807      9.01408164     -8.39695040
          69
 Energy    -249.55511330356737     
  O     15.00868040      6.09593234    -14.08360540
  H     14.51123779      5.96528439    -14.90144763
  H     17.42232602     11.41742560    -15.88546656
  O     18.29805203      8.42820100    -11.55389930
  H     14.38034585      6.23606040    -13.35940283
  H     15.32843128      7.83517534    -14.37123973
  O     11.79232924      7.93457378    -15.61448296
  H     18.24232437      8.19124567    -10.62044045
  H     16.17160251      8.68219879    -15.34860369
  O     15.12666424      7.94780540     -8.91290645
  H     18.02544915      7.64923842    -12.06120296
  H     12.48630727     10.54244615    -13.57903683
  O     13.44893171      6.76633379    -11.91632121
  H     12.23824144      8.78841089    -15.58010750
  H     11.52236440     11.33818563    -12.66982320
  O     16.38019659     10.18479291    -12.44626971
  H     11.40556645      7.80812756    -14.73609969
  H     17.45205139      5.89753066     -9.93568825
  O     14.86358735      8.19937014    -17.94083243
  H     14.70655904      8.53233655     -9.55691581
  H     17.31800542      5.40089614    -11.39279951
  O     14.44210981      5.29322210     -9.76779501
  H     14.77194443      7.06529430     -9.07879908
  H     11.76474739      7.33910155    -12.55223924
  O     17.34708651      8.33823428    -16.72804405
  H     13.68237407      6.18357093    -11.18258136
  H     11.22976968      8.76344923    -12.77075685
  O     13.52746285      6.08274136    -16.46936654
  H     13.70324481      7.66233840    -11.65320736
  H     19.34083960      9.23499520    -12.87385169
  O     19.36988390      7.22152089    -15.10149218
  H     16.08293008      9.68971843    -13.22773396
  H     19.20108634     10.34927741    -13.93361200
  O     17.28133977     11.05648384    -16.76935102
  H     17.05832591      9.63698982    -12.02476552
  H     16.72877913      6.07867417    -13.47885310
  O     15.56675499      8.74298971    -14.59852012
  H     15.78621948      8.12096846    -17.65651085
  H     18.21237672      6.39479008    -13.82048104
  O     12.05966232     10.55076659    -12.70538224
  H     14.39806386      7.46987608    -17.51802015
  H     16.85688299      7.74949750     -8.88897154
  O     17.06008901      5.20559234    -10.48283680
  H     14.18506910      4.50001083     -9.30612052
  H     18.18132323      7.63385870     -8.09449103
  O     11.03689102      7.83555047    -12.95009099
  H     15.36851675      5.17347628    -10.04443900
  H     14.57187298      9.92359796    -17.78296493
  O     19.67745898      9.53734544    -13.72968347
  H     18.09009304      7.92864019    -16.27258401
  H     14.22624479     11.27989062    -18.43683472
  O     17.61060842      6.18915721    -13.09498274
  H     17.51819528      9.29021892    -16.81445640
  H     14.87851797      9.75092937    -11.50978599
  O     17.80506656      7.53772129     -8.96478499
  H     13.08376788      5.38976650    -16.95115344
  H     13.33436560      9.85302906    -11.53142271
  O     14.48968155     10.88006296    -17.61210552
  H     12.83931968      6.71192181    -16.18183606
  H     17.30271306     11.36562756    -13.44837833
  O     14.07217685      9.38769073    -11.11788412
  H     20.21130873      6.86848613    -15.37914143
  H     18.06545007     12.68235966    -13.71326122
  O     17.88711765     11.81860054    -14.07781607
  H     19.55294225      8.06822163    -14.65526324
  H     13.59063679     10.68552841    -15.97660283
  O     13.35131116     10.29702663    -15.12675263
  H     16.34772060     11.17009328    -16.98457531
  H     14.10046749      9.72609720    -14.89686292
          69
 Energy    -249.55458047128391     
  O     -2.50074829      6.44579392     -0.38065880
  H     -2.66179134      5.58221983     -0.80158928
  H     -0.56355711      6.17947760     -0.18654578
  O      1.87855192      1.70718899      5.39769719
  H     -2.83483474      7.10761150     -0.98106302
  H     -1.63900301      0.70570938      4.13057855
  O     -0.81036273      3.19377286      0.39641348
  H      1.72499022      2.42810519      4.76339099
  H     -1.91430338      2.03580393      3.36100207
  O      0.32734405      2.10059049     -2.61110431
  H      2.27858586      2.10239691      6.16809120
  H     -2.91425722      3.15809775     -1.85571562
  O     -0.90257967     -0.56560384      1.53017746
  H     -1.54174980      3.31265826     -0.22141280
  H     -3.67139085      3.70978186     -0.59549714
  O      1.36712344      3.58893501      3.47324505
  H     -0.29535464      2.42527677      0.12226655
  H     -3.57692022      0.40790915      0.35540142
  O      1.93282035      4.26364650     -1.86636628
  H     -0.61321224      1.94383612     -2.74126615
  H     -2.21292212     -0.26801106      0.19517533
  O     -3.26400098      5.70585169      2.23349562
  H      0.56973237      1.55302824     -1.84983030
  H     -1.16383962      3.47946419      2.05311330
  O      2.85346015     -0.11780508      3.42674425
  H     -1.31982804      0.04475259      2.15381109
  H     -1.99818784      4.44829610      2.91340688
  O     -0.38307729     -0.04009104      5.13539647
  H     -0.33886731     -1.14519734      2.05763211
  H     -2.92282135      1.04445622     -3.33247038
  O      3.90530442      3.86889313     -0.06742328
  H      0.40820113      3.67725824      3.39594963
  H     -2.67165396      0.98153130     -1.80860101
  O      0.26105888      5.70299718     -0.05450433
  H      1.76233843      4.33630251      2.99859536
  H     -5.13327140      0.43137201      2.40488093
  O     -2.17464925      1.10726923      3.43061005
  H      1.37626483      3.55630109     -2.22272954
  H     -3.69932730      0.98600550      2.56579173
  O     -2.98471513      3.90879992     -1.25379324
  H      1.34389591      4.88642704     -1.42429028
  H     -4.65956060      2.69581224      1.29141707
  O     -2.93591847      0.12794512     -0.30786929
  H     -2.98082301      6.04150891      1.36861073
  H     -4.31976241      4.19887392      1.47491673
  O     -1.37644444      3.71560425      2.97275312
  H     -3.65062009      6.44461490      2.69838960
  H      3.20698152      2.55038035      1.00090015
  O     -2.53843982      1.52659474     -2.60504828
  H      2.65501992      0.43376570      4.19389858
  H      2.19871447      2.49787359      2.18147626
  O     -4.47574684      0.97638306      1.97991943
  H      2.93870541      0.49970916      2.68778007
  H      0.21073275      0.33088629      0.41301858
  O     -4.66576073      3.55395181      0.84814209
  H     -0.01060612     -0.77170410      4.62780479
  H      1.48594460      1.22199876      0.41977182
  O      2.68723992      1.95053838      1.55179901
  H      0.35437634      0.55444576      5.32220255
  H      1.60608723     -1.31834167      3.29479820
  O      0.73974206      0.93464256     -0.12442389
  H      4.75844786      3.98128261     -0.47666620
  H      1.14659384     -2.79191563      3.40557558
  O      0.82543831     -1.90173321      3.29213224
  H      3.23925232      3.98400012     -0.77012582
  H      3.03834715      5.04754567      1.21362177
  O      2.38813094      5.47634746      1.78317700
  H     -0.00412707      4.78815486      0.13080470
  H      1.66339729      5.72822598      1.19456661
          69
 Energy    -249.55451244218585     
  O     -2.51415207      1.10190855      3.16812784
  H     -2.90143835      0.44838040      3.74439277
  H     -2.90110119      4.71034069     -1.58490937
  O     -3.89729606      5.76808026      1.73828304
  H     -1.54938395      0.98811793      3.23010719
  H      2.32020631      3.14836225      4.94298970
  O     -2.00781320      1.22319816     -2.26713690
  H     -4.58026337      6.25141842      2.19481478
  H      2.38890242      3.25835707      3.39844424
  O      1.57788544      2.46132270     -3.14452739
  H     -3.54935340      5.11110907      2.36785531
  H     -0.02323137      3.57642248     -0.11311784
  O      0.63200938      6.98515267      1.53650753
  H     -2.33588639      1.31551188     -1.36279317
  H     -0.20734755      3.61895019      1.44064918
  O      0.20565630      0.83987942      3.27079358
  H     -1.15343003      0.78312549     -2.19547238
  H     -4.14239136      4.59440948      0.28813775
  O     -2.47211910      3.05663041     -4.19046904
  H      1.27784744      1.61159283     -2.79870955
  H     -3.68208563      3.18205806     -0.13003930
  O      1.31296339      0.76315673      0.63516274
  H      1.14078828      2.60132607     -3.99701237
  H     -2.77720577      2.99618146      3.36287877
  O      0.59789962      0.09371273     -1.93047949
  H      0.70203748      7.89686792      1.80658185
  H     -1.86106379      4.23808111      3.33969663
  O      3.29168360      3.61125493      1.99886952
  H     -0.18436096      6.91337889      1.00748725
  H     -1.79250137      2.23471039      0.46795976
  O     -1.69262042      6.68826585      0.18036364
  H      0.61038917      0.62528683      2.42104638
  H     -2.76486504      1.38720818      1.29606190
  O     -2.22679854      5.07195749     -2.18391534
  H      0.73996674      1.55094661      3.64472026
  H      0.54397913      4.23027513      3.45815476
  O      1.79472598      3.07788035      4.15097555
  H     -2.33139950      2.38720164     -3.49471118
  H      0.20428798      5.49869475      2.59239102
  O     -0.21574204      3.04160488      0.66805111
  H     -3.34920699      2.90806990     -4.53449370
  H      1.97411727      6.05970175      0.53171947
  O     -4.06053325      4.00357020     -0.47067793
  H      0.83319932      1.60712590      0.67314691
  H      1.71459004      5.11138026     -0.63603602
  O     -2.78638342      3.95882641      3.40085469
  H      2.25670942      0.96187812      0.58114140
  H      0.72546688      3.77267801     -2.21698366
  O     -2.62851287      1.74516591      0.41253002
  H      0.82553685      0.24392880     -0.99784168
  H     -0.50294136      4.69393066     -1.87605641
  O     -0.14794248      4.67515985      2.95162823
  H      0.78510073     -0.82324052     -2.11582556
  H      0.09479110      3.58900803     -6.10892853
  O      2.40573356      5.39416536     -0.01685913
  H      2.99567189      4.24286037      1.33023505
  H     -0.85234244      3.02496534     -5.03645912
  O      0.39322674      4.44832640     -1.61151719
  H      3.65456573      2.86033049      1.51492716
  H      3.99244658      2.09336676     -0.41189865
  O      0.05677429      2.98487007     -5.37123292
  H     -1.84703415      6.30805119     -0.69125530
  H      4.85739067      0.99086589      0.24788381
  O      4.02709312      1.45254220      0.32229259
  H     -2.44863495      6.42960155      0.72366411
  H      3.45538740      4.15164738     -1.15355836
  O      3.75562259      3.33976743     -1.57907384
  H     -2.31171684      4.55632176     -2.99345884
  H      3.07565873      3.08568866     -2.21862242
          69
 Energy    -249.55449300659316     
  O      1.96192400     11.65407812      1.34059307
  H      1.75365844     11.50188731      2.26984176
  H      4.24931471      9.75932279     -2.44237056
  O     -2.86729415     11.29648848      0.05145346
  H      1.12235769     11.84934970      0.88934872
  H      0.94854819      8.39468252      0.24725398
  O     -3.03104674     10.67195865      2.77462393
  H     -3.03218502     11.03555796      0.96692392
  H      0.41835253      6.95967676      0.47134139
  O      2.29959494     14.19833569     -2.65741624
  H     -2.57935667     10.51157631     -0.43972228
  H      2.38033633     10.13643708     -3.65984790
  O      5.14324858     12.46807755     -1.48301999
  H     -2.26988266     10.06604526      2.83628187
  H      3.53536796     11.09955845     -4.06451681
  O      4.33034678     12.87782035     -4.04140196
  H     -3.72720165     10.29825659      3.30824583
  H     -2.39171089     14.59235869     -1.83515596
  O      2.18180309      9.51167054     -0.35399350
  H      2.60506797     14.03025861     -1.75392385
  H     -2.58051407     15.14756609     -3.26645887
  O     -0.27625643     12.24929218     -0.02554819
  H      2.96928895     13.84275086     -3.25343045
  H      1.15336633      9.96788085     -1.90898889
  O     -3.07310927     14.09762812     -0.32130741
  H      4.57112888     12.93042115     -0.85765161
  H      0.40293326     10.99626148     -2.81436790
  O      3.08939526     13.80473462      0.00769177
  H      5.02680908     11.52170531     -1.33336973
  H     -0.97442100      9.43811387     -1.90482443
  O     -0.79009777      9.17163583      2.90418297
  H      5.03076628     13.16809287     -4.61951400
  H     -1.12888638      8.67261496     -0.58767040
  O      4.68177323      9.62539197     -1.57824689
  H      4.72315305     12.75792488     -3.15691408
  H     -0.14732904     15.11648880      1.34853722
  O      0.19554881      7.88063888      0.58428587
  H      2.17506295     10.24469142      0.27860169
  H     -0.64881609     13.72861103      0.91955093
  O      3.32722650     10.18304865     -3.84696319
  H      3.07623059      9.45565084     -0.71141678
  H      1.04781061     16.15184318     -0.18610884
  O     -1.92255777     14.82636866     -2.65595509
  H     -0.15019467     12.45363693     -0.96066109
  H      1.68575617     16.88390791      1.01797443
  O      0.69599840     10.07497167     -2.75459227
  H     -1.14650140     11.83626899      0.05316283
  H     -1.14678095     13.43900359      2.96245482
  O     -1.61904260      9.20336084     -1.22667161
  H     -3.14927148     13.13734899     -0.23315536
  H     -1.93321576     12.15995100      3.35450269
  O     -0.87825821     14.49936574      1.46238405
  H     -2.47968301     14.38801180      0.38309117
  H      0.79797386     13.24943636     -2.79143535
  O      1.41393847     16.02369543      0.70822297
  H      2.62700201     14.58422986      0.33972900
  H     -0.74883525     13.39509114     -2.83275467
  O     -1.20015185     12.72959362      3.61674811
  H      2.76733875     13.05483721      0.52822694
  H      1.14369462     15.62140201     -2.27273209
  O     -0.03281461     12.75473315     -2.73712110
  H     -0.43207835      8.69904801      2.14277593
  H     -0.37612696     15.82276842     -2.10226330
  O      0.48149681     16.17006984     -1.82983052
  H     -0.08336127      9.72818947      3.25269846
  H      0.22749777     11.78710980      3.86459501
  O      0.99352740     11.18488839      3.90949180
  H      5.38686105      8.99849675     -1.71506908
  H      1.33391996     11.23682096      4.79823841
          69
 Energy    -249.55445119129845     
  O     -2.72776146     -3.06599898     -0.26869223
  H     -2.96612581     -3.09281220     -1.19200024
  H     -2.40043591     -4.74417092      0.70318030
  O     -2.71928724      2.39290747      5.48550037
  H     -1.78197733     -2.83861025     -0.22737919
  H      1.10597855     -6.03117011      1.73865713
  O      1.71010282     -0.74925995      5.67455828
  H     -1.93109103      1.83758979      5.40800776
  H      1.07864161     -5.40712391      0.33889503
  O     -1.66342039      0.59149894      2.38164647
  H     -3.39731520      1.82311722      5.87021431
  H     -0.09381719     -3.71762527      3.42005069
  O     -0.05876824     -2.91034410      6.46960961
  H      1.90395027     -0.92247422      4.73692084
  H     -1.21436840     -2.69341778      3.28091858
  O     -4.65731910      0.38797659      6.17030656
  H      2.51403154     -0.41934880      6.06713289
  H     -3.25116086     -6.34292074      4.05848957
  O     -2.48988750     -1.42286907      6.29703808
  H     -2.22379875      1.37728199      2.40859774
  H     -2.49848063     -5.62949435      2.90567523
  O     -0.01659751     -5.04414498      4.74666564
  H     -1.31570174      0.47578280      3.27810370
  H     -2.86610714     -0.71862257      1.92056761
  O     -5.08191210      0.41013119      3.47175972
  H      0.59406022     -2.22348223      6.28996161
  H     -3.38456674     -1.90608922      1.04705404
  O      0.73077256      0.09404005      0.95988179
  H     -0.89752323     -2.44953862      6.59871111
  H      2.90188843     -2.76196511      2.36221354
  O      2.16757563     -5.82986781      3.34944386
  H     -5.49154034      0.45796678      6.62675720
  H      2.94585272     -4.30768078      2.51292868
  O     -2.15303685     -5.49660756      1.24903231
  H     -4.86306313      0.33329206      5.21979248
  H     -1.38238070     -0.25122536      5.48483993
  O      0.56450135     -5.95371083      0.94467691
  H     -2.70257897     -1.97208797      5.52414222
  H      0.09839124      0.13797751      5.27132231
  O     -0.34170239     -2.91922318      2.93856095
  H     -3.25248682     -0.84797582      6.43230014
  H      1.68446783     -0.68039237      2.32031015
  O     -2.65655770     -5.62285314      3.86889437
  H     -0.04010537     -4.35359003      5.42852549
  H      1.09769445     -1.87691565      3.07975025
  O     -3.58192949     -1.36521394      1.82072928
  H     -0.92033156     -5.33259313      4.56980673
  H      2.80333109     -4.06889698     -1.16975102
  O      3.22721935     -3.57356202      1.95206600
  H     -4.67437600      1.23854079      3.18796571
  H      2.61666062     -3.84266092      0.35085258
  O     -0.80277213      0.37815050      5.03062328
  H     -4.74490040     -0.26274164      2.86759838
  H     -3.19876033      2.71708943      3.83031692
  O      1.88518397     -1.31310861      3.02452545
  H      0.48176055     -0.71949933      0.50292712
  H     -3.58515496      3.61351316      2.62774123
  O      2.14533434     -4.02999784     -0.48182027
  H     -0.08390628      0.39705105      1.38368180
  H     -2.99085844     -3.80021866      3.95660125
  O     -3.46601852      2.70608508      2.89318924
  H      2.64701466     -6.54050271      3.76792002
  H     -3.32121374     -2.42738811      3.24891622
  O     -2.94432746     -2.83974447      4.03831307
  H      1.42348854     -5.61190553      3.93652264
  H      0.65339423     -3.01485812     -0.16141747
  O     -0.11019601     -2.52987791      0.17594136
  H     -1.21591733     -5.67930778      1.07949292
  H     -0.17556783     -2.72944620      1.12260107
          69
 Energy    -249.55412999747074     
  O     16.11557690     10.56842843    -13.96518688
  H     16.26845718     10.57112218    -13.01133081
  H     15.80202004      4.57061357    -14.92007223
  O     15.65750126      5.00301735    -16.71442187
  H     16.81831792     10.04096566    -14.36585086
  H     12.87604018      7.40811915    -10.99428607
  O     12.30382040      7.06494544    -12.65196607
  H     16.00646992      4.54439504    -17.47440774
  H     13.30320200      8.71045682    -10.29706635
  O     13.83941839      5.22502979     -9.09759706
  H     15.84232145      5.94886075    -16.85073193
  H     14.78186019      9.13812802    -13.98271138
  O     12.83675934      5.06437096    -16.11015395
  H     13.08675008      7.50364738    -13.01814521
  H     15.21214436      7.67513494    -13.82678848
  O     13.87861155     11.31766943    -15.38491941
  H     11.55101029      7.52726232    -13.04527924
  H     18.89156662      8.63243332    -15.06059500
  O     16.19205607      7.65086919    -17.04308815
  H     14.80048666      5.24335019     -9.02294959
  H     17.64796496      8.01322181    -14.37454291
  O     16.72369735      5.23260689     -9.41048959
  H     13.57402703      6.12150054     -9.34500500
  H     11.08154248      9.55111519    -13.85540062
  O     14.04523761      9.48004930    -17.59594868
  H     13.75738827      4.96397670    -16.38171013
  H     11.17395304      8.44277575    -14.92184462
  O     13.30739468      3.19347611    -10.82425327
  H     12.78819976      4.73420514    -15.20386795
  H     11.56514195     11.92114003    -13.31048499
  O     16.10402782      3.45755589    -11.36242504
  H     14.73880081     11.23839543    -14.94780949
  H     12.68349646     11.21658255    -14.10751283
  O     15.74238947      4.51039747    -13.95837009
  H     13.93679828     10.78890725    -16.18853479
  H     13.03009588      3.97045060    -12.50715642
  O     13.35718487      7.74652642    -10.22489984
  H     16.81284988      8.07519305    -16.44004740
  H     12.70765399      5.37782342    -13.06899884
  O     14.44038016      8.23739983    -13.96271075
  H     15.52848161      8.31375354    -17.26846902
  H     13.25331795      7.95779545    -15.33927983
  O     17.94065088      8.68790793    -15.01318020
  H     16.57872463      4.57747802    -10.11733977
  H     12.56425500      6.83994432    -16.15705492
  O     10.68959899      8.71219109    -14.12989569
  H     17.37346772      4.86169335     -8.81998139
  H     12.98387580     10.64077697    -11.73584875
  O     12.07904389     11.11745416    -13.35176898
  H     13.68230232      9.64769802    -18.46210836
  H     14.37698113     10.56134338    -11.06581562
  O     13.04994869      4.50396119    -13.31055014
  H     13.43066483      8.87164782    -17.14672124
  H     16.62134660      7.12382432    -12.35541168
  O     12.61102541      7.80057141    -16.04723827
  H     13.40911895      3.91739375    -10.18052692
  H     16.53115250      6.02296286    -13.46972192
  O     13.43849153     10.40612231    -10.91677722
  H     12.78308858      2.51968407    -10.39987345
  H     16.34191556      9.38003613    -10.96433889
  O     16.83481295      6.92115352    -13.27599415
  H     15.18617008      3.21134881    -11.18891523
  H     16.84098770     10.76352400    -10.49227028
  O     16.35469145     10.32539180    -11.18685999
  H     16.13575945      3.70683381    -12.29466713
  H     15.13164981      7.64435371    -10.55362418
  O     16.09165381      7.61800686    -10.68438565
  H     14.79804717      4.51594480    -13.73852002
  H     16.42062753      6.86290898    -10.17989258
          69
 Energy    -249.55363677960850     
  O      2.38224053      1.50492450      2.44214378
  H      2.64868354      0.69688533      2.89521274
  H     -2.04242967     -2.66317556      4.83931314
  O      2.08414433      1.78924626     -0.24033107
  H      1.62400445      1.85845964      2.92684259
  H     -3.97932942      1.09438205      3.47927859
  O     -1.14840740     -1.07908917      5.13732509
  H      2.22449397      1.67422616      0.71661199
  H     -3.13400396      2.32778074      3.06577748
  O      0.31254152     -3.46206433     -1.73008979
  H      2.76227362      2.38668211     -0.54475176
  H     -2.25830103     -0.15813505     -0.20316372
  O     -2.41351254     -2.67018754     -2.25462170
  H     -1.35359614     -0.23926316      5.56170645
  H     -2.72298427     -1.40168322      0.58212879
  O     -1.98436591      3.30011527      1.80546143
  H     -1.05562567     -0.87245792      4.19391635
  H     -0.49773965      0.66510190      2.80549134
  O     -4.37352865     -3.27788474      2.71061915
  H      0.77584541     -2.61662842     -1.67809706
  H     -1.45331535     -0.19923337      1.90892352
  O     -1.30954107     -0.07055128     -1.78014012
  H     -0.56333697     -3.25626592     -2.07842109
  H      0.07229291     -4.03371132      0.00508657
  O      1.28141531     -0.80641620     -1.04778347
  H     -3.09213280     -3.04331331     -2.81177699
  H      0.42169847     -3.20852021      1.24894971
  O     -4.61453306     -0.35765225      2.61465501
  H     -2.63450504     -2.91946993     -1.34182606
  H      0.47109151     -1.99172702      5.17706433
  O      0.03581096     -4.76962610      3.59468045
  H     -1.58184312      2.94219233      0.99475512
  H      0.93591742     -3.30751684      4.52699339
  O     -2.36921633     -3.50081467      4.48328397
  H     -2.28548013      4.17913257      1.58878089
  H      0.58517940     -1.17307422      1.90592247
  O     -3.51392209      1.87063505      3.82402921
  H     -3.68098475     -3.37229367      3.39018757
  H      2.05561942     -1.58939641      2.14218762
  O     -2.68235772     -0.43535879      0.61736104
  H     -5.11211145     -3.80926766      2.99554138
  H     -0.67841516      2.78622476      3.01696028
  O     -0.72931025     -0.23545169      2.54747954
  H     -0.40418043     -0.33852416     -1.55943241
  H     -0.49740986      2.14250120      4.42133990
  O     -0.08921248     -3.98059629      0.95758906
  H     -1.74485368     -0.86089481     -2.12067097
  H     -2.42685099      1.70238369      5.13610686
  O      1.25915080     -2.50601054      4.95402932
  H      1.66268264      0.07504425     -0.95203756
  H     -1.98400915      2.08646939      6.57054171
  O      1.30418946     -1.72303698      1.55499311
  H      1.31853191     -1.18379104     -0.15599384
  H      3.96930380     -1.26845948      3.89463691
  O     -0.05694815      2.29952202      3.57620257
  H     -4.05462662     -0.25596500      1.83159481
  H      2.47107827     -1.54545204      4.15604389
  O     -1.70478371      1.61934965      5.78839482
  H     -4.64890324     -1.30713336      2.76765617
  H     -1.86960850     -3.52417304      0.71865392
  O      3.09189236     -1.04449174      3.59649029
  H      0.29634077     -5.68194375      3.69814446
  H     -3.35349233     -3.33614364      1.18779861
  O     -2.74540913     -3.21689471      0.44601402
  H     -0.01112655     -4.60231849      2.63920109
  H      0.24411370      2.22640105     -0.33445597
  O     -0.71372056      2.33350987     -0.39160436
  H     -1.58766583     -4.01152209      4.24258345
  H     -1.01576523      1.65369173     -1.00551923
          69
 Energy    -249.55329030341190     
  O      9.85628180     13.04542283    -11.05019552
  H     10.58548914     13.60357066    -10.74088656
  H     13.43217736     13.36208776    -12.68885435
  O     12.01133465      7.36293869    -15.52283345
  H      9.96797637     12.93772721    -12.00219383
  H     16.11477106      8.76382400    -10.57473429
  O     12.96172126      8.35198490    -13.06075176
  H     11.85126052      6.52516441    -15.94778205
  H     16.96279047      9.49148176     -9.52068855
  O     13.16370088     13.33497246     -7.74012880
  H     11.14360067      7.78793235    -15.39751427
  H     13.85393520      8.06399060    -11.44278788
  O     13.05503278      9.93735855    -16.26481279
  H     13.57269608      9.04497902    -13.35264758
  H     14.16639743      9.31331691    -10.61773401
  O     10.53145077      9.64220450    -12.44823168
  H     12.69359576      7.87004719    -13.85198808
  H     14.46779885     15.70430541    -12.37005240
  O     14.03579266      8.83570971     -7.89602596
  H     13.30970512     13.82096480     -6.93231887
  H     15.01826488     14.40698183    -11.72866316
  O     13.71125662     11.04110250    -10.55732238
  H     14.03510429     13.03650205     -8.05063933
  H     17.91486432     10.85987784    -12.97781073
  O     12.02492051     10.79626027     -8.35352764
  H     13.70591626     10.14271525    -15.58091699
  H     17.04963581     10.33863095    -11.80968952
  O     16.35464321     13.40374620    -11.26143540
  H     12.81753783      9.01074436    -16.13519233
  H     10.50294961     11.98947660    -14.60444076
  O      9.70556036     10.64317978     -9.88483796
  H     10.31791197      9.81052476    -11.52412260
  H     10.49645790     11.27591385    -13.23307480
  O     13.14615207     12.46280595    -12.88778529
  H     11.39095326      9.20131177    -12.49815513
  H     14.92011484     11.83240905     -9.51107693
  O     16.94065051      9.25430279    -10.45406626
  H     14.07379447      8.43817125     -8.77712732
  H     15.92756163     11.58225679     -8.36206009
  O     14.31706444      8.35365205    -10.64851409
  H     13.28739366      9.44620578     -7.91754572
  H     14.10335083     11.19196811    -13.65151374
  O     14.20212980     14.87798025    -11.97615458
  H     13.41300721     11.55961035    -11.31415976
  H     15.49285145     10.52807061    -13.56982792
  O     17.05303218     10.93963322    -12.57586289
  H     13.00423214     10.99560437     -9.89952530
  H     11.55147536     10.83601748    -16.32885751
  O     10.52461780     12.14989660    -13.65339218
  H     11.15261917     10.76616447     -8.76883329
  H     10.49395543     11.58641244    -17.17259827
  O     15.46417092     12.28012447     -8.84155604
  H     12.19707443     11.69376904     -8.04278233
  H     16.97144218      9.63229201     -6.92365525
  O     14.61786621     10.43040976    -13.96165045
  H     16.60116564     12.61247531    -11.75556768
  H     15.62444918      9.52782084     -7.67838680
  O     10.66413902     11.23716131    -16.30212713
  H     16.21529552     13.11671687    -10.34935199
  H     12.42349737     14.15613468     -9.29648901
  O     16.49922827      9.95810727     -7.68461458
  H      8.80938038     10.45869740     -9.61611514
  H     12.78958980     14.68222882    -10.70095394
  O     12.04537901     14.45862596    -10.13005158
  H      9.70634528     11.53863510    -10.27369907
  H      9.84493728      9.03329390    -14.10759536
  O      9.75817972      8.80791153    -15.04391736
  H     12.22323419     12.48108575    -13.17290330
  H      9.89420890      9.63286399    -15.52668516
          69
 Energy    -249.55303396010885     
  O     19.52432562      9.75727251    -14.78322237
  H     19.67776991      8.84516481    -15.06971822
  H     17.79299510      3.86731248    -14.85099437
  O     20.93518490      5.41617024    -13.26350727
  H     18.62310490      9.97798684    -15.04399519
  H     16.34072649      9.88847099    -12.56679626
  O     17.71605246      7.18750853     -9.90134398
  H     20.73235496      5.98674852    -12.49874315
  H     15.85152699     10.35419611    -13.94899295
  O     14.67395109     10.88279375    -10.47063151
  H     21.80391091      5.05401731    -13.11315045
  H     18.18120750      7.03937780    -14.27785736
  O     16.79025940     10.25555652    -15.61191151
  H     17.00543429      6.63989897    -10.26242829
  H     17.50480870      7.67569988    -13.04188798
  O     12.73789423      8.77363877    -10.46237122
  H     17.27493832      7.80944110     -9.30151090
  H     14.22416585      7.34277454    -13.53442390
  O     15.29138824      6.08384378    -10.85202958
  H     14.61732138     11.82150961    -10.30706634
  H     14.55998514      8.69866462    -12.87376126
  O     18.32213921      4.35649614    -13.12370373
  H     14.94575798     10.78229792    -11.39682991
  H     18.56184068      5.39280887    -18.16644444
  O     15.74733585      3.68673819    -12.23654233
  H     16.67391583     10.92856836    -16.27870090
  H     17.96313079      5.02001611    -16.78914424
  O     14.70990969      3.62765086    -14.72856281
  H     16.64939949      9.40263571    -16.05993109
  H     15.65218433      9.64716007     -9.22875862
  O     19.74048771      7.03335948    -15.27273762
  H     13.01268215      8.38823170    -11.30669644
  H     15.27503094      8.34642250     -8.50365827
  O     17.37446195      3.79864340    -15.71965216
  H     13.25109049      9.58761435    -10.38311679
  H     20.38716619      7.98081327    -11.49059216
  O     15.56871288     10.25406288    -13.03319607
  H     14.79856445      6.26539660    -10.04161679
  H     19.48229560      7.01705085    -10.68205272
  O     17.44408708      6.93917713    -13.66051950
  H     14.93741924      6.68662291    -11.52020816
  H     20.91912215     10.49863598    -12.02245134
  O     14.10688281      7.85814386    -12.72541541
  H     19.27485947      4.49661868    -13.10114973
  H     20.13586838      9.81349832    -13.17109559
  O     18.33472331      5.75274177    -17.31340098
  H     17.93751507      5.24410475    -13.19583700
  H     15.86566723      6.54455531    -14.45212191
  O     16.00716424      8.95826184     -8.65579685
  H     16.69833809      3.73477643    -12.40241058
  H     14.82840756      5.46931605    -14.89999189
  O     20.28036334      7.05941347    -11.22377403
  H     15.53601654      4.45308655    -11.68635726
  H     15.76773847      7.36382597    -16.27951193
  O     20.34989783      9.76065733    -12.22126505
  H     15.01600375      3.58781193    -13.80344739
  H     17.05907856      7.20527932    -17.09865764
  O     15.00622372      6.41729761    -14.88682981
  H     13.99192382      3.00662642    -14.80944856
  H     13.21402385      6.75586926     -7.99647582
  O     16.39959984      7.85249045    -16.82591069
  H     19.39481434      6.54479297    -16.03150207
  H     13.32644959      7.66914142     -9.24275807
  O     13.82857421      7.08406176     -8.64668131
  H     20.23048995      6.42619993    -14.70332298
  H     18.57836190      9.44012670    -11.93872377
  O     17.67580940      9.10910745    -11.85652088
  H     16.44009420      3.64224364    -15.53939208
  H     17.65893304      8.49871481    -11.10728351
          69
 Energy    -249.55277886753905     
  O     15.67204582     10.73375277    -15.64366690
  H     16.21570415      9.93698020    -15.67824712
  H     13.96448813     10.45063843    -15.05056906
  O     17.71857806      9.63184533    -12.83111443
  H     16.09889541     11.31047672    -14.99824658
  H     16.19890570      7.88250768    -10.63474363
  O     14.81876113     10.83558621     -9.44757951
  H     17.48884654      9.15493124    -13.64208659
  H     16.80921162      9.11445091    -11.39633471
  O     11.32731647      8.03324156    -14.23824153
  H     17.54945714     10.56600617    -13.00663488
  H     13.46327794      8.13139502    -12.28328043
  O     18.68773130      4.58759700    -13.30921797
  H     15.33793330     10.10493600     -9.82527165
  H     14.91774192      8.62439899    -12.03177510
  O     12.36924485      5.67357342    -15.07207699
  H     15.14935974     10.98262561     -8.56517863
  H     14.18060502      4.34791309    -12.79491461
  O     16.00702908      6.06077387    -10.65797456
  H     11.84088206      8.81615842    -14.47185999
  H     12.84245767      4.79351190    -13.41665018
  O     12.17477992     10.29748311    -10.39459571
  H     11.34132207      7.97103995    -13.27253645
  H     19.56111006      7.28370484    -11.74292499
  O     19.58167650      6.81647894    -14.88953797
  H     18.87751248      4.93886590    -12.43096866
  H     19.22194123      8.61243998    -12.45982742
  O     14.88600856     12.51871920    -11.74575775
  H     19.00693402      5.25059579    -13.93409794
  H     14.73694635      7.31209573    -14.05554207
  O     12.26165669     12.01083769    -12.69042917
  H     11.93444013      6.50748892    -14.81902177
  H     14.13257711      6.33561209    -15.08848272
  O     13.22599981     10.19475318    -14.48081209
  H     11.83951498      5.28613512    -15.76347826
  H     16.18665545     12.36463920    -12.86978892
  O     16.18924096      8.84638538    -10.70095383
  H     16.00904923      5.63577258    -11.53044349
  H     17.36442859     13.05486175    -13.59827944
  O     14.29108392      8.37768057    -12.71893793
  H     15.11059157      5.95117197    -10.32006723
  H     16.43275374      7.69744197    -15.20068115
  O     13.23425454      4.43433261    -12.61210309
  H     12.10379234     10.91937569    -11.12994343
  H     17.98593229      7.76978278    -15.26326091
  O     19.87618980      7.90118802    -12.41405847
  H     13.02202411     10.48429651     -9.97262068
  H     19.16019946      5.48548403     -9.89656519
  O     14.96467138      6.72451761    -14.79457373
  H     19.78945610      7.22211759    -14.02823048
  H     17.83504399      5.90805948    -10.56082393
  O     16.91880865     12.21836691    -13.49530247
  H     20.38574134      6.83096163    -15.40242124
  H     11.90256149      8.65406125    -10.98711543
  O     17.18488387      8.30651338    -15.22473714
  H     13.98099802     12.45823468    -12.07604486
  H     12.21617457      7.11566349    -10.90377843
  O     18.79517222      5.86949860    -10.69081148
  H     14.89679890     12.03611246    -10.91065376
  H     15.69829409      5.42617840    -13.77018417
  O     11.88513025      7.81590919    -11.47727345
  H     11.56863958     12.55010870    -13.06221087
  H     16.89720064      4.57251447    -13.25320141
  O     15.96500785      4.77984998    -13.10136184
  H     12.55211635     11.40291140    -13.39219803
  H     12.81491975      5.06370806     -9.54328849
  O     13.21082873      5.63770463    -10.19433430
  H     13.61853280      9.59648790    -13.82669606
  H     13.15757210      5.16829425    -11.04845762
          69
 Energy    -249.55262555210277     
  O     -0.91007503      2.88798757      2.45657519
  H     -0.89400498      2.27241190      3.18493993
  H      0.32427268      8.68120998     -0.00551123
  O     -2.82976287      5.98184134     -0.19315424
  H     -0.29373253      2.54158182      1.78486664
  H      0.03295240      1.72858182     -0.28156314
  O      4.07238012      7.24360945     -0.05680616
  H     -2.56956460      6.61452937      0.48663177
  H      1.49981983      2.04907065      0.10877257
  O      2.77029688      8.64749763      2.07980904
  H     -2.31061697      6.15780070     -0.98956582
  H      0.37477068      4.50430031     -1.29466765
  O     -1.49494921      6.28763854     -2.65607170
  H      4.00974163      6.35123786      0.31105300
  H     -0.40348458      3.35047504     -1.99847003
  O      3.23284419      2.43462249     -0.62037181
  H      3.68584534      7.82788626      0.60581985
  H      1.41401566      7.59528359     -2.04186018
  O      0.83332683      5.52747644      0.11449001
  H      3.22141568      9.25486869      2.66044469
  H     -0.14042450      7.40791407     -2.08018465
  O     -1.97149344      7.63829372      1.90479508
  H      2.68268056      7.80816046      2.56650363
  H     -4.18875163      2.51162521     -2.55107761
  O     -1.46285744      1.99094112     -1.46884497
  H     -2.23287523      6.05429189     -3.23148139
  H     -3.52773198      3.41150703     -3.60647957
  O     -0.21116728      5.59414620      2.71418783
  H     -0.92617457      5.50289482     -2.60106933
  H     -5.38154426      4.55460400     -1.39899248
  O     -2.92517935      3.32414355      0.54963743
  H      3.84117414      1.75031540     -0.88667387
  H     -4.48795872      5.76341628     -1.06883367
  O      0.18941889      8.89315932      0.92879972
  H      3.15049406      3.04307724     -1.37664639
  H     -4.36535436      5.42471606     -3.22278236
  O      0.62064143      1.88508361      0.46877047
  H      0.78206600      6.38461091     -0.32739031
  H     -4.27777446      5.61681355     -4.75586951
  O      0.11905911      4.14571208     -2.15953928
  H      0.43335756      5.61388478      0.98828704
  H      1.86970540      4.12636026     -2.67690094
  O      0.59095913      7.78726759     -1.57393177
  H     -1.20567867      8.14398956      1.57348382
  H      3.02082531      5.14341741     -2.67517259
  O     -3.50930734      2.52115747     -3.23703071
  H     -2.51960240      8.25079469      2.38756605
  H      1.53650142      5.99382994      3.21715027
  O     -5.18667702      5.46195879     -1.66570046
  H     -2.07660308      2.01661963     -2.21732340
  H      2.90722999      5.60251390      2.62848912
  O     -3.78045383      5.32729657     -3.99534303
  H     -1.94420714      2.40962982     -0.74151872
  H      2.47559856      5.02684147      0.65547378
  O      2.83541680      4.19806217     -2.65732735
  H     -0.93876181      6.21368449      2.57924986
  H      3.49975071      3.88860466      0.58832563
  O      2.47782828      6.21366312      3.24254896
  H     -0.55202730      4.69035669      2.70403587
  H     -4.44382538      2.85364258     -0.29282086
  O      3.34159656      4.74720301      0.99400637
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  H     -5.76854540      2.07805352     -0.47358105
  O     -5.19971152      2.72079680     -0.88941197
  H     -2.85200375      4.26241724      0.31651767
  H      3.52584920      7.17470997     -1.69019425
  O      3.12790173      7.07537648     -2.57479214
  H      1.06229317      8.87821417      1.34005832
  H      3.69812978      7.53436635     -3.18610780
          69
 Energy    -249.55261868139536     
  O     -5.91166642      1.26523268     -0.94890007
  H     -5.13091570      1.81503860     -1.11420638
  H      0.41880599      4.25970878      3.64667099
  O     -3.24254643      0.28556219     -4.66201700
  H     -6.38267387      1.68282946     -0.21767913
  H     -0.47747961      4.42882255      1.27300105
  O     -6.86019259      2.48675046      1.39652500
  H     -2.98922061     -0.56534654     -4.25657161
  H     -0.28315889      4.28670970     -0.26504010
  O     -1.38189086     -0.60117391      3.45771545
  H     -3.21694702      0.15867113     -5.60681082
  H     -2.95410842      2.44963072     -1.90430237
  O     -2.60752342     -1.04647596      0.93276543
  H     -7.68718533      2.88263814      1.65747395
  H     -3.52172949      3.70583657     -1.14127635
  O     -2.57330573     -1.95593082     -3.30924328
  H     -6.17393660      3.17021244      1.50480067
  H      0.60494075      1.88113560     -0.47933759
  O     -5.29199168     -1.20211875      0.23709129
  H     -1.73957550     -0.97409326      2.64200350
  H     -0.52023063      1.37105566      0.44318163
  O     -0.99959959     -0.78900245     -1.28392544
  H     -2.13469513     -0.19139403      3.90018560
  H      0.93879643      3.53566117     -2.45806923
  O     -1.62431431      1.53679766     -2.77032440
  H     -2.53185600     -0.07996356      0.98454580
  H     -0.34197899      2.70497588     -2.22331373
  O      0.65552232      1.21029266      2.92837606
  H     -3.53544194     -1.22561974      0.73732255
  H     -5.67506539     -3.35863193     -2.52530616
  O     -3.67067495      0.77511100      4.50798650
  H     -3.34648185     -2.31428828     -2.85647541
  H     -5.43606365     -1.83312979     -2.64267069
  O     -0.15118078      3.76857230      3.06111292
  H     -1.93892842     -1.70162634     -2.62555732
  H     -3.06313164      2.36081941      3.78264152
  O     -0.72184925      4.80567971      0.41939551
  H     -5.28378948     -1.84447020     -0.48248410
  H     -1.94615702      3.37400698      3.32384059
  O     -3.65874625      2.76753476     -1.32500214
  H     -5.49087648     -0.34828413     -0.17523816
  H     -5.53970156     -0.38673428      1.95859808
  O      0.38123209      1.17592219      0.13752995
  H     -1.59091391     -1.02930002     -0.55421784
  H     -6.07348865      1.01551585      2.30610210
  O      0.32962960      3.25004602     -1.78128229
  H     -0.28194315     -0.29747046     -0.86472395
  H     -2.49656569      2.16435736      1.67606335
  O     -5.13585018     -2.64504287     -2.19400367
  H     -2.13745176      1.23512176     -3.53136274
  H     -2.81824014      2.07102670      0.15971651
  O     -2.86927948      3.11430991      3.20890084
  H     -1.43694246      0.74733706     -2.24133014
  H     -2.32866578      5.21729636     -0.05916771
  O     -5.59586963      0.26065939      2.67153412
  H      0.00862807      0.53865012      3.19155380
  H     -3.26752700      6.25403829     -0.72272235
  O     -2.28568083      1.68598948      0.86560567
  H      0.79802106      1.08485412      1.98167760
  H     -5.00432446      0.09146112     -3.78789105
  O     -3.23258755      5.36007141     -0.39393990
  H     -4.02116642      0.57277238      5.37139659
  H     -5.93167605      0.35154295     -2.57112046
  O     -5.77038503     -0.24897422     -3.31225555
  H     -4.36788049      0.55300652      3.86435618
  H     -4.39544721      4.74102294      1.00577770
  O     -4.87849396      4.29103200      1.70703945
  H      0.17968479      2.85154691      3.05192105
  H     -4.20702536      3.95161826      2.31640084
          69
 Energy    -249.55227074084044     
  O      4.39023339     10.70460402      0.06747795
  H      3.99105537     11.32016450      0.69372157
  H      1.17250169      4.76998162      0.99579193
  O      0.55205697     10.39606327     -1.81514402
  H      4.52432765      9.88088676      0.55486072
  H     -1.93981763      8.58313872      0.08404559
  O      1.63624507      8.41676263      1.10689438
  H      0.59965079     10.75772058     -0.91815672
  H     -2.02129354      7.71463555      1.36285040
  O      3.02727550     12.28721838      2.00492695
  H      1.46610144     10.26072917     -2.09062333
  H      2.39110031      7.03172163     -1.80049103
  O      4.36427592      8.25307887      1.44707295
  H      1.34367311      7.92582679      0.32863149
  H      3.37075539      8.15938421     -2.18759600
  O     -1.63488094      6.00123966      2.07043620
  H      1.34903372      9.33372474      1.00628328
  H     -2.27731618     11.34394731      2.57862443
  O      0.30186981      9.88421472      4.48688843
  H      3.21755593     13.17236808      2.30175249
  H     -1.76488320     10.01961665      1.96490678
  O      2.56592420      1.95896825      1.64027612
  H      3.02919737     11.71746027      2.79745075
  H      0.49477525      6.04955880     -0.58535097
  O      0.78648731     11.08189859      0.85192520
  H      4.64105329      7.48052687      0.94054916
  H     -0.05339199      7.30968658     -1.34437108
  O      0.25277335      2.00334755      0.13077987
  H      3.39895070      8.30922561      1.35931048
  H      5.50392471      8.38040173      4.45105995
  O      0.50030187      7.31456673      3.39019794
  H     -0.98918901      5.49608331      1.54777476
  H      4.60390306      8.31641539      3.19427947
  O      0.28377945      4.70453287      0.61638356
  H     -2.26107148      5.37048538      2.41702633
  H      3.46435200      9.87975082      4.26064898
  O     -2.14058152      8.61105579      1.02739875
  H      0.32751068      8.94427776      4.26085312
  H      2.00904075     10.41872700      4.32958447
  O      3.31704014      7.21129970     -2.01834909
  H     -0.35206064     10.26839665      3.89196343
  H      3.71882294     10.31567918     -1.48814963
  O     -1.49056484     10.82273809      2.44410402
  H      2.81543999      1.63174006      2.50128028
  H      3.81008608     10.50820878     -3.01837091
  O      0.74753639      6.85188232     -1.06113399
  H      2.76188430      2.90981604      1.65213491
  H     -0.71415802      9.24155450     -1.81265472
  O      4.59463980      8.32552436      4.16749932
  H      1.50089567     11.59071825      1.25566698
  H     -1.96002085      8.60108010     -2.47462697
  O      2.92324339     10.66324469      4.12019017
  H      0.01706968     11.11639201      1.43483389
  H      3.49882684      6.74605191      4.18071464
  O      3.33432952     10.03764014     -2.33869349
  H      1.05957041      1.87120350      0.65695999
  H      2.01504991      6.42832059      3.92120841
  O     -1.38105706      8.53505098     -1.72048034
  H      0.30511093      1.38142448     -0.59043817
  H      3.54117516      5.11171438      1.00028138
  O      2.89350539      6.02474266      3.97514751
  H     -0.28857644      6.85265114      3.08725207
  H      2.94625369      5.15504206      2.44968901
  O      2.88875169      4.71401029      1.58764446
  H      0.90181271      7.71535112      2.60314094
  H      5.51719555      5.53512514     -0.51665578
  O      4.76166434      5.96852184     -0.12975466
  H      0.15445353      3.77891279      0.36746420
  H      4.27175760      6.38910943     -0.86089243
          69
 Energy    -249.55185590872750     
  O      9.56315346     12.55995344    -10.85179141
  H      9.82301007     12.31130282    -11.74803654
  H     13.18285835     13.37356782    -12.69060101
  O     12.99763613      7.06696727    -15.30310138
  H     10.22354635     13.19289371    -10.53462628
  H     16.35858556      9.62851358     -9.46529087
  O     10.85268644      9.01093992    -11.68136435
  H     12.12326283      7.27132106    -14.92555058
  H     15.64258441      8.92227595    -10.62602646
  O     14.53822683      8.12308880    -13.18680292
  H     12.92326297      6.21783054    -15.72919335
  H     14.51667787     14.54431743    -11.53694013
  O     12.72726813     13.23470871     -7.45135390
  H     10.29399349      9.27702606    -10.94029726
  H     13.85195031     15.80569961    -12.14141810
  O     13.23748377      9.79934690    -16.11581496
  H     11.71040221      8.75405329    -11.32134372
  H     13.56090278      9.48492798    -10.67884716
  O     13.54131864      8.74304057     -7.95022100
  H     14.71311656      9.01433031    -13.51819688
  H     13.84608000      8.26834475    -11.62668081
  O     13.44922427     11.23661054    -10.45864425
  H     14.08389978      7.65490037    -13.89716422
  H     16.86360080     10.67474357    -11.61213035
  O     11.70609483     10.86248829     -8.34486108
  H     12.27972196     12.39135308     -7.63861441
  H     18.00785874     11.27637011    -12.45696378
  O     15.93166543     13.67893440    -11.03168598
  H     12.38082118     13.55393615     -6.62195852
  H     10.72844453     10.56716363    -12.68356419
  O      9.31014203     10.20352198     -9.61185506
  H     13.91286374     10.18130394    -15.54070683
  H     10.50903315     11.13001901    -14.11278703
  O     13.11842730     12.44474215    -12.94267582
  H     13.26479223      8.84561299    -15.96543838
  H     15.50250450     11.71257471     -8.18917606
  O     16.40268051      9.47214946    -10.41643243
  H     13.52128588      8.42533058     -8.86377880
  H     14.42856615     12.84324238     -8.12038287
  O     13.66434869     14.93351565    -11.80558806
  H     12.83558662      9.40058342     -7.89617126
  H     15.77724776     10.97155196    -13.60128364
  O     13.52001271      8.51650338    -10.74631740
  H     14.14677472     11.68294464     -9.96385651
  H     14.29921946     11.37828835    -13.73476235
  O     17.07451154     11.35562159    -12.27489713
  H     13.34155613     11.69411626    -11.30101720
  H     10.20849673     10.58330951    -16.61071175
  O     10.60502648     11.38532188    -13.18651673
  H     12.23068152     11.01761071     -9.14736868
  H     11.55792516     10.22986151    -15.93975261
  O     15.18701157     12.51644708     -8.62219518
  H     10.82436386     10.60651737     -8.64034506
  H     16.41821831      9.63698283     -6.90935934
  O     14.96642883     10.76612876    -14.08093408
  H     15.81402587     13.36881184    -10.12284304
  H     15.07890063      9.50628790     -7.67589989
  O     10.60696904     10.36298207    -15.77346457
  H     16.34236122     12.95110001    -11.51306173
  H     12.00709864     14.02705651     -9.11332432
  O     15.92508152      9.98836544     -7.64559400
  H      8.40844618     10.02904087     -9.35829973
  H     12.29138711     14.54749985    -10.53733028
  O     11.58625635     14.24977887     -9.95010910
  H      9.32409788     11.08553889    -10.03157180
  H     10.45142122      8.69228271    -14.80626067
  O     10.61699070      7.89615656    -14.28599103
  H     12.18911237     12.20665500    -13.06798424
  H     10.61921124      8.17421103    -13.36087315
          69
 Energy    -249.55183132985678     
  O     -0.33521693      2.22941335      5.09424927
  H     -0.33367896      3.04539796      4.57877654
  H     -0.24337481     -0.01095681      1.91291268
  O     -2.49624354      0.76477059      4.17013302
  H     -1.14627670      1.76474562      4.84111360
  H     -2.03297000     -2.61082374      1.33541407
  O      0.11641294      0.19563670      7.05451311
  H     -2.01665285      0.58105656      3.34643128
  H     -3.41437522     -1.91260076      1.38390391
  O     -0.20148886      3.42056590     -1.28405184
  H     -3.41920133      0.89471630      3.92477680
  H     -4.75475182      1.22355634      2.15611253
  O     -0.34592961      0.60539261     -1.66566062
  H     -0.56713489     -0.40884842      6.73646485
  H     -5.87032345      1.40377247      3.21265715
  O     -4.75474930     -1.85815791      2.52440090
  H     -0.02504672      1.02293312      6.57631170
  H      1.77427390     -0.37215275      1.19479134
  O     -3.02706329     -0.28876214     -1.20660653
  H      0.70478482      3.29085939     -0.94492801
  H      1.78725747      0.13584107      2.68881175
  O     -1.53785501      2.90168591      1.10845539
  H     -0.16145507      4.12480810     -1.92432398
  H      1.18797738      0.13522539     -0.97634420
  O      2.20670635      2.84969419     -0.26605635
  H     -1.25012376      0.29780326     -1.53566845
  H      2.57777160     -0.50792809     -1.19767728
  O     -3.42399918     -3.31678008      4.59776243
  H     -0.38266973      1.57019062     -1.65948520
  H      1.61366033     -0.54749746      6.52155316
  O     -1.30016440     -3.66492090      2.62684402
  H     -4.42179398     -2.33425816      3.29612637
  H      3.01247355     -1.18134493      6.71810500
  O     -1.16791876      0.25986620      1.84560043
  H     -4.94210668     -0.95386023      2.80262276
  H      1.41696256      3.81387904      2.69594920
  O     -2.57677741     -1.94374535      0.89469482
  H     -2.86827980     -0.97324782     -0.53316462
  H      2.39110397      2.68073030      3.05582723
  O     -5.05235711      0.94513687      3.04123844
  H     -3.54309979     -0.70015911     -1.89598377
  H     -0.82923688     -1.73827847      5.00817591
  O      1.44264004     -0.53868790      2.08580791
  H     -1.11567947      3.12269424      0.26760293
  H     -1.98518213     -0.69273624      5.07396176
  O      2.06204424     -0.00828602     -0.57008252
  H     -1.34879858      1.96905710      1.29627952
  H      1.34209264     -2.00284526      4.80713339
  O      2.37052260     -0.94522657      6.05419405
  H      2.30217209      3.06959253      0.67300377
  H      0.96409995     -1.74711918      3.33901754
  O      2.25059338      3.40573742      2.43426497
  H      2.32615376      1.89670292     -0.34347534
  H      2.37908311      0.49856045      4.79662358
  O     -1.61224397     -1.47242149      5.51280548
  H     -3.71286823     -3.93578610      5.26363135
  H      1.25576655      1.51540271      4.48823390
  O      0.70588635     -2.25044117      4.12561929
  H     -2.82335441     -2.69242756      5.03790874
  H     -3.28964889      2.26806505      0.76994956
  O      2.10006823      1.16957395      4.16272811
  H     -0.53861529     -3.34837477      3.12761677
  H     -3.79141001      1.06253931     -0.04419910
  O     -4.05854106      1.70071269      0.62776363
  H     -2.02762048     -3.71274111      3.25922338
  H     -0.70655999      5.19940115      3.18878258
  O     -0.39225633      4.29884807      3.18295109
  H     -1.66356524     -0.48925244      1.49011500
  H     -0.85110783      3.84524246      2.45559871
          69
 Energy    -249.55170145829157     
  O     14.15221228     11.82740174     -8.41835753
  H     14.36552363     11.93630723     -7.49601761
  H     16.88794049     13.14085891    -18.24660880
  O     10.87908337     12.52202853    -14.91861658
  H     14.92854295     12.12909906     -8.92505998
  H     13.88474915     13.44357750    -12.60975323
  O     13.38800886      9.49746762     -9.86371857
  H     11.18422506     12.56881913    -15.83391656
  H     14.49775055     14.65281736    -11.86879065
  O     18.43745731     11.14911753    -13.78121543
  H     11.06618350     13.38553035    -14.53203818
  H     12.75433124     14.31198444    -16.77410283
  O     12.17191300     12.97705627    -10.09516679
  H     13.68763848     10.22853265     -9.30889062
  H     12.65688036     15.15312543    -15.48591692
  O     11.01551283     10.67336719    -10.90476729
  H     12.52845372      9.76769230    -10.20889610
  H     13.57477203     11.43171133    -13.55262041
  O     12.01832063     10.49112201    -13.51514882
  H     19.35945214     10.90719435    -13.78311101
  H     15.03509781     11.53365782    -13.00120474
  O     16.29635339     15.01192209    -11.47966268
  H     18.05991312     10.82478743    -14.61922208
  H     17.16498324     11.02445839    -16.71162685
  O     15.42432813     13.61696739    -15.48342480
  H     12.82107274     12.67293823     -9.44738606
  H     16.57702678      9.71752110    -16.14732661
  O     14.03478264     11.05464918    -17.76852518
  H     12.66493821     13.48077976    -10.75514606
  H     11.45940213     12.71925227    -18.33993137
  O     11.68041692     15.07679806    -13.85059408
  H     10.10422062     10.63261502    -10.62828760
  H     12.67830536     12.12116162    -17.60382165
  O     16.49837530     12.47272444    -17.68972402
  H     11.35696341     11.54369559    -10.62941162
  H     14.49170425      8.68104625    -10.90193922
  O     13.65899795     14.25822259    -12.13398326
  H     11.62947982     10.50569324    -12.63220202
  H     15.41035209      7.45581389    -11.12253883
  O     13.20315912     15.00192500    -16.26740563
  H     11.54105424     11.14418564    -14.04999398
  H     13.07571234      9.06479135    -13.88702873
  O     14.36077586     11.99165327    -13.51992738
  H     16.76582420     14.62993255    -12.24359329
  H     14.23350722      8.30792863    -13.19263573
  O     17.33548024     10.31136151    -16.08338534
  H     16.73142228     15.83519421    -11.27596193
  H     14.96982404      7.90234061    -16.85016263
  O     11.95412157     12.76726339    -17.52621790
  H     15.03995250     12.97052639    -14.87312960
  H     14.55974605      8.62216437    -15.54682843
  O     15.13257413      8.27812638    -11.51666480
  H     14.70743563     14.20430282    -15.76263695
  H     16.05594168      9.83644196    -11.87805211
  O     13.78035968      8.41808036    -14.03571054
  H     14.25995791     10.24362180    -17.29756621
  H     17.11468917     10.76758602    -12.58245610
  O     14.99961140      8.74610001    -16.40653388
  H     14.86732935     11.53013195    -17.87948412
  H     17.88399516     13.00692269    -13.65798407
  O     16.33748508     10.75052822    -12.00873445
  H     11.10684249     15.71135030    -13.42845412
  H     16.82313031     13.89906709    -14.33566284
  O     17.48545826     13.88361569    -13.62994834
  H     12.37408515     14.85804730    -13.20633619
  H     16.28243135     13.46540636    -10.37914908
  O     16.21589782     12.60894603     -9.94246424
  H     16.14304819     12.93029602    -16.90608120
  H     16.31503437     11.94288667    -10.63776734
          69
 Energy    -249.55159675904645     
  O     20.75557910     11.45255632    -18.38152935
  H     20.50580788     12.21455598    -18.91463175
  H     20.94293004     14.77400974    -18.22119473
  O     17.76355990     18.10976345    -14.98778569
  H     21.54495485     11.72294664    -17.88729942
  H     14.41973433     13.90881254    -14.74848948
  O     22.63429355     12.46733628    -13.99032129
  H     18.72167108     18.10200701    -14.86045408
  H     12.93285008     13.50848504    -14.88103771
  O     15.73561854     14.93261034    -14.12118626
  H     17.56418800     17.43788925    -15.65268934
  H     22.93798306     15.72206556    -14.35173767
  O     17.49917217     13.40830844    -17.93374572
  H     22.77269983     13.41546512    -13.81463562
  H     22.24203317     15.55099311    -12.98103725
  O     15.59122436     11.31708644    -13.84252771
  H     23.25564657     11.99084817    -13.44649389
  H     18.30781732     12.86668291    -13.33458102
  O     15.07617482     12.23065152    -17.47045287
  H     16.35543106     14.29854989    -13.72863155
  H     16.83757007     12.40361868    -13.12290918
  O     22.77756838     12.58706766    -16.86504118
  H     15.81931581     15.75348491    -13.62097230
  H     16.56456695      9.12348093    -16.48453882
  O     22.78735456     16.87224646    -15.90418755
  H     17.99148941     12.77053593    -17.39716198
  H     17.33173746     10.45681633    -16.33363810
  O     16.43440855     17.28912925    -12.77908076
  H     16.58683294     13.08292718    -17.94037793
  H     21.20456011     16.80660324    -11.07820022
  O     19.85629821     12.66290868    -14.26326760
  H     14.86779245     11.85120089    -14.19137771
  H     20.08709964     16.08435496    -11.86546246
  O     21.41973820     15.04552405    -17.42813088
  H     15.89021926     10.77935043    -14.58673883
  H     21.31640666     17.58996919    -14.93995905
  O     13.81910834     13.22679691    -15.09312863
  H     14.56083077     12.60151844    -16.74380198
  H     20.70179166     17.42213099    -13.51828354
  O     22.86025967     15.13243400    -13.59325538
  H     15.43790724     11.40158539    -17.13071574
  H     18.13523093     14.64563739    -12.04980662
  O     17.46367049     13.11926994    -12.93633383
  H     22.78253674     12.48185965    -15.90682662
  H     17.77066915     16.14631681    -12.03646419
  O     16.45869458     10.03802840    -16.23617928
  H     22.42123422     13.46854602    -17.03463742
  H     19.50685805     11.29173564    -17.15003715
  O     20.97222055     16.48415077    -11.94497042
  H     23.53585711     17.27682866    -16.33541818
  H     19.19334921     11.76053351    -15.68835169
  O     20.50238473     17.68168723    -14.42851614
  H     22.38283533     16.27095149    -16.55235178
  H     19.90964019     15.98535916    -14.92229016
  O     18.46215443     15.51801143    -11.79616775
  H     15.97223587     18.00685148    -12.35535280
  H     18.74817925     15.32532148    -15.70684180
  O     18.80200498     11.39732818    -16.49298677
  H     16.89995599     17.66568846    -13.54787880
  H     19.52917440     14.18184484    -20.36266586
  O     19.62999889     15.16461192    -15.34426056
  H     20.78682182     12.47731902    -14.09128981
  H     18.88909367     13.83042751    -19.00345493
  O     19.73663987     13.98981997    -19.45136355
  H     19.81156951     13.56791756    -14.61044061
  H     16.57127998     15.41375172    -15.68109583
  O     17.14975081     15.70346331    -16.40092448
  H     20.76957334     15.02681715    -16.70867753
  H     17.20379691     14.97215942    -17.03082320
          69
 Energy    -249.55146007944290     
  O     17.85557440      8.47268235     -9.90335635
  H     16.95790940      8.74509598     -9.67746211
  H     16.96077532     11.64525988    -10.83971721
  O     14.41822813      9.02131487    -11.33549904
  H     17.84342032      7.50791216     -9.93045998
  H     18.56675740      9.12717025     -8.32980300
  O     19.28385711      4.02837005    -12.82665467
  H     14.87739672      9.81608183    -11.63336246
  H     18.04960553     10.15321676     -7.30648586
  O     21.44336605      7.34360763    -11.19134897
  H     14.58913875      8.95244171    -10.38691641
  H     18.96096064      9.14304703    -11.08821267
  O     15.32255304      8.87682697     -8.72207637
  H     19.05199156      3.21088096    -13.26033569
  H     19.89890614     10.31977464    -11.45860286
  O     22.64118392      7.95736739     -8.71747010
  H     18.49834224      4.59818664    -12.86667182
  H     20.58536847      5.33827354    -13.52850032
  O     16.07303819      6.32135686     -7.73242792
  H     21.97587953      7.57658914    -10.42077510
  H     21.36213703      6.52673115    -12.92952126
  O     21.01441481      6.02147740     -7.78473764
  H     20.87160811      8.10272679    -11.37003547
  H     15.59122112     11.89434274    -12.84779544
  O     18.67919069      6.88067383     -6.55457206
  H     15.60728471      9.62906036     -8.18729093
  H     16.25167958     10.51891532    -13.06504974
  O     17.50932847      5.71212687     -9.99900196
  H     15.51273842      8.06228189     -8.23876593
  H     17.33934439      8.81214538    -14.27551497
  O     16.47696126     11.18027141     -7.58228630
  H     22.07876974      7.27607641     -8.30440770
  H     15.84518758      8.51595528    -14.05448152
  O     17.38656468     11.90528506    -10.01329495
  H     23.52746487      7.80991223     -8.39839406
  H     21.75660296      9.62135100     -8.56311372
  O     18.76762384      9.53129065     -7.47193241
  H     15.54129185      5.59327829     -7.41951102
  H     20.42171697     10.14616775     -7.99436737
  O     19.64156767      9.42860002    -11.71811470
  H     16.52882975      6.01007651     -8.53329989
  H     13.91231996      6.86993909    -13.56742455
  O     21.02923075      6.16201458    -13.76106116
  H     20.21406694      6.25272211     -7.29122457
  H     14.59426347      7.75109343    -12.49411332
  O     16.00246879     11.16801094    -12.38414110
  H     20.73326779      5.48204213     -8.53266883
  H     19.64958790      7.33327259    -14.02668227
  O     16.46759862      9.22916180    -14.23652562
  H     17.78275596      6.65172489     -6.81988409
  H     19.15106438      8.52666711    -13.17347865
  O     21.20585159     10.41006776     -8.49577762
  H     18.75134975      7.83483080     -6.69490795
  H     20.77167345     12.62854918    -10.70857267
  O     14.76254827      7.11157545    -13.21035031
  H     17.28655441      5.75697350    -10.93877493
  H     20.61489357     11.40483965     -9.77244301
  O     18.88163968      7.89619054    -13.85825382
  H     18.42889123      5.41362351     -9.95332689
  H     16.33612135      6.20817671    -12.94126222
  O     20.20276465     11.88978646    -10.51144408
  H     16.78412186     11.50200290     -8.45114319
  H     17.81714751      6.62334307    -13.11528675
  O     17.24264024      5.92567378    -12.76534616
  H     16.15752727     11.93885308     -7.10220609
  H     19.97219605      4.50890204    -11.10867043
  O     20.15627316      5.02617590    -10.31558877
  H     18.33352423     11.95832909    -10.18993727
  H     20.60134708      5.83312533    -10.61749988
          69
 Energy    -249.55142587008476     
  O     13.98629015      2.94525541    -15.96663134
  H     14.87181283      2.71960194    -16.30844071
  H     21.41270428      4.31512119    -15.33389716
  O     17.90515368      6.29901108    -11.73588822
  H     13.40389836      2.23216949    -16.21350541
  H     18.51788957      8.14889789    -16.78780483
  O     19.62584456      5.21915770    -17.78428376
  H     18.63525706      6.53382896    -12.32876745
  H     17.54254261      6.96744772    -16.62999658
  O     17.52479074      3.83016312    -19.15540158
  H     17.63413700      5.39899152    -11.96561122
  H     15.76550553      5.79093604    -15.98650924
  O     13.53799507      6.26006150    -10.13123371
  H     19.02103141      4.64540043    -18.26834219
  H     17.03569472      5.16707296    -15.30391553
  O     14.36452466      3.91299020    -13.33107914
  H     19.17003779      6.06874004    -17.70287369
  H     12.76961571      6.90123215    -14.47177542
  O     16.12768795      7.63397576    -13.36217147
  H     16.99802812      4.64956558    -19.15016835
  H     11.59906775      7.41675246    -15.32696149
  O     17.98862777      3.64562304    -14.85974953
  H     17.57079915      3.54116631    -20.06297267
  H     15.26498478      3.09560221     -9.95343073
  O     13.67733282      3.43483050    -10.63588717
  H     14.48611938      6.21761454     -9.90897520
  H     16.27896759      2.34188692     -9.05770101
  O     19.29324244      9.18832071    -15.41320708
  H     13.11187591      6.73478338     -9.42278721
  H     14.04250433      4.65938048    -16.70119370
  O     16.46854319      2.51342193    -16.87408638
  H     14.08190152      4.83700909    -13.30091723
  H     13.57283300      6.12483857    -16.48281886
  O     20.54099254      4.69979918    -15.30742442
  H     14.18847027      3.57291317    -14.21600718
  H     19.64078365      7.67140969    -14.25506228
  O     18.04373488      7.47517550    -17.28782521
  H     16.28494177      7.09552469    -14.15417121
  H     20.08044293      6.19205844    -14.22410856
  O     16.56886497      5.99167579    -15.48771583
  H     16.72224904      7.28410271    -12.68464115
  H     16.84120427      3.37245529    -11.42266163
  O     12.45481964      6.99990941    -15.38429909
  H     17.76005322      3.56398438    -13.92372379
  H     16.05612964      3.78714187    -12.69218916
  O     16.19931119      3.05978227     -9.67937223
  H     18.91029136      3.92389881    -14.92683006
  H     16.84396309      6.20741718    -10.20258714
  O     14.23368914      5.57739651    -16.93115036
  H     13.46746627      4.34586084    -10.39485202
  H     16.28320617      4.98547193     -9.45119669
  O     19.75379044      6.91254679    -13.67183804
  H     13.79439099      3.44384646    -11.59587008
  H     16.72916167      6.77809427    -18.52810946
  O     16.94770247      3.71237826    -12.31871670
  H     18.49333316      9.57468447    -15.01645627
  H     15.38420746      6.02456484    -18.35616530
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  H     14.47911679      7.04789936    -13.04284908
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  H     20.28112485      4.87654422    -16.23036705
  H     16.60875130      9.26896570    -13.90801005
          69
 Energy    -249.55086195941749     
  O      0.74874467     -1.07714770      5.50541699
  H      0.55083984     -0.14450268      5.34124184
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  H     -0.72703166     -1.81113915     -0.60387255
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  H      2.89248500     -2.29991757      1.85811626
  H     -2.74289071      3.23160172      6.26562310
  O     -3.52488545     -0.08714134      5.27502855
  H     -3.37356779      2.88657523      2.54116318
  H     -2.64298534      2.84597856      4.76651686
  O      0.09281803      2.84833851      2.24575274
  H     -1.83561562      3.10608657      2.63890371
  H      1.42257840     -0.17890399      2.06507638
  O     -1.77279511     -0.23524240      3.03980967
  H     -5.60501849     -3.46501219      2.11893149
  H      2.16719969      0.51591946      0.89485638
  O     -0.85091191     -2.76352834     -0.49034768
  H     -4.42939013     -2.66984819      1.50797340
  H     -3.54647094     -3.34064992      3.58550172
  O      1.63773680     -1.76603041      3.00647103
  H      0.08352033      2.04854207      3.95025248
  H     -2.01920669     -3.46396826      3.45924962
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  H     -0.86275789      1.83431365      5.15664738
  H     -0.85591215     -2.84081454      1.32218526
  O      1.37597220      0.56675418      1.45299691
  H      3.63213927     -0.87521750      0.19856917
  H     -1.18210615     -1.88300975      2.51264581
  O     -2.74782120     -3.52565969      4.09327423
  H      3.03786795     -0.19535543     -1.05190323
  H     -3.38170931     -1.23789582      0.14676776
  O     -0.80271958     -2.74498875      2.28185006
  H     -5.59883775      2.40961624      1.33965559
  H     -2.73099962     -2.58029385     -0.22199705
  O     -3.55687727     -2.18593594      0.08471711
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  H     -2.36621942      0.25545897      1.40212283
  O     -2.72342228      0.49222353      0.53200206
  H     -4.83019518     -0.12833441      4.00448084
  H     -3.46459646      1.08295461      0.70696987
          69
 Energy    -249.55075910924933     
  O     -3.03884973     -0.75748287      2.35955680
  H     -3.52207619      0.06350621      2.53216392
  H      0.30849193     -0.34589896      0.01472440
  O     -0.04601786      2.69276188      2.15598420
  H     -2.94189606     -0.80418532      1.39787063
  H      3.24386358     -2.32147227      0.98388333
  O      1.54402966     -1.25608698      4.37313218
  H     -0.82387677      3.23762444      2.32343375
  H      3.62513432     -0.96029726      1.66155520
  O      0.64405992     -3.21776384     -0.62648633
  H     -0.22544957      1.82202086      2.54145161
  H     -0.04746594     -0.26127799      2.29024842
  O     -2.87431443     -0.85638649     -0.45747086
  H      2.33118134     -0.80446802      4.04838310
  H     -1.41971546     -0.11908617      2.97282879
  O     -4.35553309      1.44921019     -0.52756352
  H      0.79730123     -0.70075341      4.10881093
  H     -2.14054705     -3.57974665      0.85686067
  O     -4.19086649      1.72805415      2.34021279
  H      0.48536971     -2.44774108     -0.05744794
  H     -1.22815307     -3.57815052     -0.38265839
  O     -2.54366901      3.66482443     -0.41702087
  H      1.32905435     -3.72007174     -0.16932191
  H     -2.64555308     -3.81823846      3.36988031
  O      0.13416567      2.69988774     -0.63142923
  H     -2.73985024     -1.81471828     -0.43705028
  H     -2.46358115     -2.42874401      2.72824829
  O      1.21833523     -1.57231342     -2.78730554
  H     -2.08471297     -0.47201686     -0.86582874
  H      2.87428136      2.43967622      1.00363780
  O     -0.57874203      0.21466124     -1.51575493
  H     -3.90311505      0.58954174     -0.55088282
  H      1.80969780      2.52002005      2.11734910
  O      0.63029035     -0.83166325      0.78440568
  H     -5.14130488      1.35726044     -1.06096983
  H      3.08864934     -4.87415852      1.41835024
  O      3.38926486     -1.38046270      0.82337499
  H     -4.37905416      1.70345995      1.39318790
  H      1.94762217     -3.94087976      1.89493344
  O     -0.49380050      0.13700453      3.05611426
  H     -3.64648414      2.51284473      2.47293647
  H     -0.17988671     -3.49851503      2.97419275
  O     -2.14711332     -3.48280164     -0.10397160
  H     -3.12923681      2.91365250     -0.57700297
  H      1.06070066     -2.80943628      3.59686526
  O     -2.09683317     -3.32741698      2.76180368
  H     -1.65536731      3.39389326     -0.68090066
  H      3.41319863      0.91183527      2.75821289
  O      2.72698666      2.27213119      1.94144192
  H      0.05485887      2.67288873      0.33440391
  H      4.53230761      0.36357851      3.67476984
  O      2.60982260     -4.08270785      1.19072929
  H      1.07458785      2.80448298     -0.82199987
  H      2.64247756     -0.50763118     -2.07872631
  O      0.77590142     -3.56799061      3.06471652
  H      1.03248667     -2.23637695     -2.10240800
  H      3.44101126     -0.48443614     -0.75930654
  O      3.78021403      0.09914431      3.15173262
  H      1.16959421     -2.02292408     -3.62671799
  H     -2.55230550      4.02251932      1.29771136
  O      3.24130415      0.03344172     -1.55262230
  H     -0.30256607      1.12919508     -1.35842476
  H     -2.75592204      4.95431772      2.51749522
  O     -2.49818367      4.07044117      2.26965550
  H      0.03488134     -0.21716645     -2.12074850
  H      3.57457291      3.16314680     -1.35772668
  O      2.92102654      2.63553895     -0.90674176
  H      1.59530452     -0.87133274      0.75415106
  H      3.06583833      1.71193097     -1.18067896
          69
 Energy    -249.55058389689785     
  O     14.71885380      6.34652270    -12.94229333
  H     15.52415672      6.44941864    -12.39929606
  H     17.04858912      7.77209916    -11.40259134
  O     17.16660856     13.62705359    -13.04081145
  H     14.16087616      5.72073522    -12.48860982
  H     17.84941551      9.11138777    -14.70534396
  O     20.93979079      8.17575951    -13.72417830
  H     17.61468829     13.24235761    -13.80358530
  H     17.80489439      8.62291707    -16.17986418
  O     16.31777857      7.13567508    -18.14482169
  H     16.27741601     13.85879833    -13.33757372
  H     15.57890525     11.94144912    -17.75220492
  O     14.07984839     11.84270147    -12.00096913
  H     20.80619143      7.78605100    -14.60794896
  H     15.30087933     10.68202583    -18.60140060
  O     14.46525370      9.18551262    -12.93288056
  H     21.88048407      8.19384377    -13.57007554
  H     16.89632404     10.49819270    -11.24113483
  O     18.12998942     12.12811018    -15.30123271
  H     16.14583576      6.66908058    -17.31817811
  H     16.11611387      9.50924556    -12.14629416
  O     19.27999148      6.02775067    -12.73918210
  H     15.57515077      7.73981531    -18.26988608
  H     13.31581839      8.99215574    -18.38195476
  O     14.80531536      9.79825881    -15.60542160
  H     14.06528845     10.91001531    -12.25059314
  H     14.32404894      9.29137599    -17.24756183
  O     18.62651758      4.89745163    -15.30122500
  H     14.85300226     11.95786769    -11.43408254
  H     16.91873662     12.74594300     -9.98927576
  O     16.18864545      6.18687740    -15.37496965
  H     14.41517569      8.22324811    -12.88713919
  H     16.90890285     12.75948183    -11.53750806
  O     16.93925059      6.82128786    -11.52210938
  H     14.47792623      9.40958549    -13.87457555
  H     19.65701854      9.46923942    -13.55697740
  O     17.28988528      8.68556007    -15.36454034
  H     18.45961683     11.43513277    -14.70969123
  H     18.31873321      9.90470260    -12.85192028
  O     15.84912930     11.47364301    -18.55536414
  H     18.39190821     11.87704196    -16.19483787
  H     13.75784582     14.54364991    -13.63666225
  O     16.96141778      9.64889518    -11.69560084
  H     19.10967966      5.55197393    -13.56094153
  H     14.19704504     13.13571834    -13.16426331
  O     14.24593141      9.09708136    -18.19727041
  H     19.88641670      6.74102350    -12.96902740
  H     19.85209718      6.22402760    -15.90970157
  O     16.63108980     12.25343650    -10.75296915
  H     15.69084480      9.40519891    -15.54611036
  H     19.92059468      7.50560103    -16.76797160
  O     18.90083554     10.06846036    -13.60823522
  H     14.93122298     10.75349751    -15.69388352
  H     16.36238762     12.37277783    -15.69345536
  O     14.39860828     13.85497173    -13.78990271
  H     18.56869555      3.99756374    -15.61234204
  H     14.99805720     13.01175552    -15.30140286
  O     20.39367657      7.00209895    -16.09149928
  H     17.72959100      5.26713721    -15.34648653
  H     19.00159176     11.78820080    -18.67565700
  O     15.43410289     12.45618747    -15.95875406
  H     15.58907215      6.12222544    -14.62264256
  H     17.56515409     11.35189629    -18.30315375
  O     18.50119498     11.27673932    -18.04430376
  H     16.60467232      7.06096100    -15.29891343
  H     18.65605280      9.40142341    -17.97697336
  O     18.70222066      8.46445358    -17.75217776
  H     17.77597048      6.49409007    -11.88425465
  H     17.90714887      8.01473828    -18.07908694
          69
 Energy    -249.55042697263394     
  O     15.88825586      9.11682543    -13.38097561
  H     15.21846381      8.43782347    -13.38542012
  H     15.31022015     11.77741801    -15.32704254
  O     17.27016108     15.55225132    -16.33426523
  H     15.69388800      9.70416270    -14.13269048
  H     18.76180621     12.02740814     -9.78696164
  O     20.21293941      9.39165332    -15.32306067
  H     17.00492250     16.13396951    -17.04172956
  H     18.87534872     10.51039137    -10.04001809
  O     19.89176158     13.52880369    -10.20060909
  H     17.88503031     14.90075460    -16.71937410
  H     22.09270762     16.30624154    -13.12173376
  O     15.53255954     14.08713782    -12.07614694
  H     20.54686912     10.15620945    -14.82169251
  H     20.59082928     16.64110834    -13.13788692
  O     20.12329805      9.24568912    -10.74429974
  H     20.96742579      8.97597850    -15.73221768
  H     20.99393531     12.25742778    -10.85407214
  O     16.25731546     11.36823350    -11.70954867
  H     20.52315517     14.22734348     -9.99096179
  H     21.22414845     10.73014514    -11.00315138
  O     18.20066694     11.18322423    -16.16453087
  H     19.26652778     13.92730322    -10.82558071
  H     19.85935554     13.81296560    -16.62878595
  O     21.08073007     14.03351005    -15.20197235
  H     15.32350281     14.08074064    -13.01830980
  H     18.75831282     12.78976120    -16.98440664
  O     21.79155627     15.61354777    -10.13028694
  H     15.61878517     13.15565668    -11.82697144
  H     23.41870401     14.57656511    -13.15930998
  O     20.72194856     11.62827634    -13.83067409
  H     20.28929336      8.41945473    -10.29797351
  H     24.23524113     15.34452856    -14.22728119
  O     15.50749028     10.84181719    -15.45775394
  H     19.60917124      9.03423662    -11.54382805
  H     19.84756752     15.27032084    -14.60526000
  O     18.24510245     11.21380042     -9.84400412
  H     16.02933202     10.50951278    -12.08146419
  H     18.51211053     15.97210774    -14.94548978
  O     21.38736621     16.70725488    -12.59810088
  H     16.88350852     11.24266700    -10.97855694
  H     22.95282447     14.37195998    -11.00804049
  O     21.59290754     11.59306297    -11.22996794
  H     18.11693718     11.59503735    -15.29171921
  H     22.92880004     12.90830719    -11.48396246
  O     19.05578394     13.69328940    -17.15200453
  H     18.84875086     10.47597493    -16.06190038
  H     19.13496121      8.81900839    -13.83723029
  O     23.34698667     15.11477042    -13.96849233
  H     21.91491469     14.42347633    -14.91138170
  H     17.74190405      8.80104293    -13.15416300
  O     19.21076409     15.92554910    -14.28254497
  H     21.01501496     13.17697200    -14.75817326
  H     18.22787552     13.18137467    -13.11419234
  O     23.37158176     13.75496233    -11.62232000
  H     22.00228774     16.29581118     -9.49849821
  H     17.46264531     11.85400176    -12.97225159
  O     18.68878253      8.72035134    -12.98837850
  H     21.58190525     16.06292158    -10.96858019
  H     16.52735111     13.22319640    -14.42741079
  O     18.05148386     12.34285770    -13.56498807
  H     19.78327724     11.80780744    -13.67516980
  H     16.14383809     14.33258372    -15.41641433
  O     15.77171223     13.62496678    -14.87553791
  H     21.14164078     11.60567790    -12.96041160
  H     17.25129379     14.61368716    -11.99174529
  O     18.21829134     14.63358790    -12.05952256
  H     16.34815716     10.83023938    -15.93501525
  H     18.48400540     15.23172491    -12.76990711
          69
 Energy    -249.55038702267046     
  O     18.88838551      9.25510959    -13.42193306
  H     18.33250891      9.43368670    -14.18696064
  H     21.21900468      7.38735701    -14.56297915
  O     21.91747243      7.71086343    -11.30630275
  H     19.76388244      8.98414193    -13.74516860
  H     19.23957926      3.93344749    -13.43804070
  O     15.45164895      8.29886280    -11.07130931
  H     21.54832695      6.84173341    -11.06933547
  H     20.22765449      4.89772177    -14.18739717
  O     12.40008986      9.93612150    -13.24759806
  H     22.77178844      7.76918386    -10.88674275
  H     14.15526963      9.46859356    -13.65511143
  O     17.04001959      9.38365110    -15.55230923
  H     15.22257401      7.36079693    -11.13238820
  H     15.30599989      8.86765968    -12.80106921
  O     11.58736533      7.18036764    -13.56898279
  H     16.15498597      8.39431880    -10.41872395
  H     18.84154780      6.05051332    -12.95532956
  O     18.06997226      5.90321991    -10.10297136
  H     11.90219347     10.74667860    -13.30797987
  H     18.37644545      7.54551960    -12.97377215
  O     14.37262689      5.73636984    -11.54915346
  H     12.48029665      9.72383421    -12.29929132
  H     14.96674440      5.92240465    -14.55448851
  O     20.76027745      5.33100477    -10.75563110
  H     16.29686258      9.29862161    -14.93134640
  H     14.49440370      7.34507605    -14.16655189
  O     16.46319504      3.88217966    -11.17619323
  H     16.82330501     10.10072253    -16.14332808
  H     18.30270846      8.84287049     -9.71190656
  O     17.64016043      2.92691052    -13.41459847
  H     11.72209218      8.13551465    -13.59109982
  H     17.54409687      9.00008867     -8.37056443
  O     21.30851837      8.20088552    -14.05390479
  H     12.38699908      6.79776181    -13.95716111
  H     19.78609346      6.27818695    -15.96401641
  O     19.94110283      4.58666902    -13.31857243
  H     17.88910395      6.69024440     -9.57785653
  H     21.12853256      5.69817653    -16.46764635
  O     15.03178940      9.06591096    -13.70908466
  H     18.01127754      6.19495143    -11.02738347
  H     12.34708123      8.23846855    -10.61019140
  O     18.09645251      6.64261209    -12.77841490
  H     14.31075853      5.89038170    -12.50245757
  H     13.72855158      8.91498647    -10.69290613
  O     14.19551031      6.43087442    -14.26842854
  H     13.48029005      5.85455101    -11.20106604
  H     19.29221099      9.46524107    -11.64287737
  O     17.54142759      8.52092097     -9.19422734
  H     19.88852110      5.45866186    -10.35878852
  H     20.42520304      8.82121062    -10.82960729
  O     20.64042632      5.90897039    -15.67613984
  H     20.59829382      4.93015606    -11.62101475
  H     17.04363282      5.80463978    -13.97144872
  O     12.77850166      9.09759172    -10.69818043
  H     15.66482591      4.41487399    -11.28854202
  H     16.86873733      4.34104693    -14.41205574
  O     19.59865775      9.30958911    -10.73836627
  H     17.05087809      4.42924302    -10.63823907
  H     17.58463760      6.22926291    -15.91161983
  O     16.63295038      5.24458960    -14.65076308
  H     17.53774474      1.98059432    -13.46012600
  H     17.82758387      7.72962929    -16.15805077
  O     18.18568880      6.85365651    -16.34087926
  H     17.21388550      3.21615967    -12.58593300
  H     11.56083577      6.66207342    -11.88591517
  O     11.70270875      6.45421806    -10.94444854
  H     21.61842863      7.96150173    -13.17030568
  H     10.92171166      6.00013513    -10.64048739
          69
 Energy    -249.55010174046990     
  O     12.34365497     11.60561508    -14.98797818
  H     13.06902819     12.23251408    -14.89221431
  H     18.70138683      7.80202453    -12.55938464
  O     15.65966813      6.70696641    -13.48190249
  H     12.64439900     10.94021671    -15.62380619
  H     16.02032092     11.62283885    -17.17842663
  O     17.53925767     10.33993625    -11.54903379
  H     16.48365152      6.88377758    -13.00984678
  H     17.04518346     11.53930736    -16.05335657
  O     17.88726559      9.92777321    -15.49671583
  H     14.94313626      6.79546070    -12.83761210
  H     15.43665091      8.39417329    -14.18463451
  O     12.55978886      6.87509067    -16.29471499
  H     17.41864665     10.31719467    -10.59100955
  H     16.24606339      9.54361026    -14.86051129
  O     14.38570199      9.42684540     -8.77731921
  H     16.76867498     10.78373431    -11.92982912
  H     11.54198665     10.73177942    -13.74473775
  O     13.67037390      7.25652631    -11.63956358
  H     17.85992208      9.22773587    -16.16444991
  H     10.23338844     10.49613202    -12.95320130
  O     15.23929814     11.34515454    -12.71095774
  H     18.58545066      9.74105876    -14.85946259
  H     17.25458838      8.07211409     -9.09404044
  O     17.24239719      8.00230144    -17.41574120
  H     11.86840317      6.36455267    -16.70713330
  H     17.51412140      7.12163095    -10.27707208
  O     14.52879084      6.56585952     -9.05692519
  H     12.27454563      7.04356955    -15.37834886
  H     11.51281974      8.38466319    -13.57709108
  O     15.38589630      6.39046796    -16.24228646
  H     13.90600535      9.71607040     -9.56607843
  H     12.38056369      7.24534831    -13.01408451
  O     17.89015330      7.61922656    -12.07817088
  H     14.29797788      8.46649458     -8.74839230
  H     20.45555877     10.04015478    -13.08978367
  O     16.37146934     12.12057085    -16.42627113
  H     13.87927883      6.89965050    -10.76808397
  H     18.97390956     10.00720809    -12.66065264
  O     15.38475662      9.30911554    -14.48598530
  H     13.58145077      8.21425385    -11.52954656
  H     16.06548825      9.84810915     -8.77308859
  O     11.12896374     10.18458845    -13.05182098
  H     15.22227664     10.60203188    -13.33760987
  H     17.28703486     10.44439054     -8.03330490
  O     17.16830388      7.15283745     -9.37640444
  H     15.06346679     12.13371862    -13.23741386
  H     14.68079563      9.99991356    -17.79141973
  O     11.82009322      7.48874401    -13.76137172
  H     17.68843415      7.48886486    -18.08426427
  H     16.09002309      9.48721735    -18.11390443
  O     19.61681969      9.62916718    -13.28446721
  H     16.57268791      7.41659593    -17.02010533
  H     12.47072207     10.11080069    -11.78579329
  O     17.03097740      9.97363992     -8.82176143
  H     14.39967414      5.84048464     -8.45209367
  H     13.95272419     10.55838607    -11.71049891
  O     15.49064310     10.22495901    -18.27098852
  H     15.49040868      6.68490667     -9.15445048
  H     15.28420695     12.88386819    -15.32912280
  O     13.28433543     10.01074849    -11.27542681
  H     15.52615498      6.32520835    -15.28755314
  H     14.68863297     14.20569814    -14.79186625
  O     14.67409605     13.26085489    -14.66814797
  H     14.43334751      6.49196227    -16.35515609
  H     14.12458423      9.46821262    -15.78415347
  O     13.44697579      9.53753422    -16.47473756
  H     17.55445026      8.50209807    -11.85699952
  H     13.05164641      8.66128704    -16.54820600
          69
 Energy    -249.54988293157385     
  O     -7.56060915     -1.74459815      6.23389197
  H     -7.58710403     -2.41560429      5.54095810
  H     -4.49408027      0.99553920      1.16866314
  O     -8.85333684     -1.54672455      2.49213920
  H     -6.63660879     -1.48457755      6.33031223
  H     -7.40336153      0.91350566      4.27727555
  O     -7.67912967     -3.58571739      4.06045783
  H     -8.61669156     -2.30044943      3.04638578
  H     -7.78111816     -0.23801682      3.27566569
  O     -5.91090588      0.96641483     -0.05404464
  H     -9.60329080     -1.08944004      2.90601857
  H     -4.63427899     -0.94480969      5.33285001
  O     -5.09573947      1.91007534      6.09635165
  H     -6.92280739     -3.46779751      3.45810513
  H     -4.06893530     -1.42055737      6.69146253
  O     -5.11744099      5.34898545      0.72377067
  H     -7.84282801     -4.52328692      4.11892671
  H     -2.94437423      3.09051684     -0.22376387
  O     -9.61186539     -0.00802057      6.53900213
  H     -6.25566650      0.06639203     -0.04967789
  H     -2.28262059      3.68261517      1.03594706
  O     -4.65038981     -0.74837203      3.58138623
  H     -6.57252016      1.50280423      0.41258845
  H     -9.03852495      5.22588943      4.85733272
  O     -4.64352636      3.18903507     -1.15394712
  H     -6.05926906      1.99950696      6.08626816
  H     -8.01771139      4.51947050      3.93711828
  O    -10.63451721     -0.05986752      3.84494977
  H     -4.92624217      0.98152315      6.28883104
  H     -9.47623416      2.40635240      2.20074893
  O     -7.19343407     -1.56052475      0.28983184
  H     -4.28312767      5.35119354      1.21126434
  H     -9.90043695      3.19241851      3.43725138
  O     -3.76217995      1.10397092      1.78984500
  H     -5.01800844      4.67738427      0.03858863
  H     -6.07203066     -2.60172129      1.51637699
  O     -7.11778202      0.43011119      3.49075119
  H    -10.09757928     -0.21411480      7.33291003
  H     -5.19134905     -2.29587825      2.74066605
  O     -4.80266199     -0.96054994      6.29112308
  H     -8.89558860     -0.66578639      6.46801250
  H     -8.54874744      1.42375501      6.07760252
  O     -2.24066780      2.93947924      0.42044089
  H     -5.53111064     -0.33758569      3.57659892
  H     -8.26229728      2.80214461      5.38398239
  O     -8.78058041      4.37104524      4.52227337
  H     -4.11289281     -0.20513551      2.99045832
  H     -3.31966627      4.31556128      2.96758250
  O    -10.19426780      2.49549707      2.83988535
  H     -4.75947696      3.24481651     -2.09981143
  H     -2.30277341      5.47884887      2.97180841
  O     -5.69253513     -3.00136570      2.30754954
  H     -5.08745924      2.37412797     -0.87020087
  H     -4.21481684      2.34644768      3.09631979
  O     -7.85887491      1.98380365      5.69872671
  H    -10.40530640     -0.02560897      4.78017132
  H     -4.54481394      2.67813303      4.58974851
  O     -2.82645412      4.92800944      2.39576771
  H    -10.58344432      0.84814154      3.51027205
  H     -7.32290909      3.13481928      1.89067597
  O     -4.37584418      3.06728586      3.71951658
  H     -7.63356929     -2.00734296     -0.43017994
  H     -7.45980084      1.63152811      2.22097995
  O     -7.65443601      2.29732279      1.54219944
  H     -7.84359765     -1.50088294      1.01101187
  H     -5.87383150      4.00810943      3.26448256
  O     -6.59642140      4.51785345      2.86998850
  H     -3.08859606      1.63011157      1.33701247
  H     -6.21577683      4.95926327      2.09674366
          69
 Energy    -249.54970753517290     
  O     -3.62803070     -1.24987849      1.31837059
  H     -3.28100020     -1.35276239      0.42229955
  H     -3.14678735     -3.00992430      1.87479209
  O     -0.63407231      2.29877271      2.58120881
  H     -4.31664323     -0.57524978      1.26381270
  H      2.29613545      0.71828249      2.85647096
  O      0.33882394     -0.70759166      4.97092390
  H      0.07827452      2.17917466      3.22154793
  H      1.74918757     -0.25459054      1.77084692
  O      2.82647472     -2.71946360     -0.51894654
  H     -0.22398238      2.63992035      1.77539242
  H     -0.41097996     -3.97532842     -0.18617279
  O     -2.71410653     -1.57279596     -1.36700351
  H     -0.46023261     -0.68425986      4.42801466
  H      0.25489344     -4.24936952      1.18456130
  O     -4.16216347      0.72491009     -1.72498203
  H      0.81854899     -1.50901117      4.71496988
  H     -2.38308021     -0.57687615      2.46869605
  O     -5.28980598      0.97215459      0.93074196
  H      2.01633050     -3.21465013     -0.33712747
  H     -1.40765633      0.60270066      2.79923491
  O     -1.68726403      2.09854903     -1.11017479
  H      3.25711832     -2.61403532      0.33805008
  H     -2.40600650     -3.28067516     -1.15440906
  O      2.40041800     -0.58078452     -2.13991961
  H     -1.82531382     -1.19670514     -1.44714831
  H     -2.46500383     -4.76282333     -1.59184608
  O     -0.28036381     -0.30243090     -1.35505865
  H     -3.32937966     -0.87090900     -1.62370472
  H     -0.46720265     -5.54045918      3.32071241
  O      0.30965333     -1.11983369      1.18215882
  H     -3.41844150      1.33792138     -1.66011826
  H     -1.22958984     -4.38293703      2.63786249
  O     -2.73217679     -3.88139257      1.87883267
  H     -4.68272000      0.85156969     -0.92224226
  H      3.44870924     -1.33383946      2.16400336
  O      2.54910442      0.19983248      2.08347875
  H     -4.56635202      1.59186651      1.14042216
  H      4.65091138     -2.24819342      2.49342427
  O      0.38804008     -3.81502216      0.33133597
  H     -6.09496126      1.36632877      1.25375149
  H      2.33169040     -2.85743035      3.35168356
  O     -1.60664148     -0.32558179      2.98534435
  H     -0.99300248      2.68840791     -0.79034624
  H      0.98499205     -3.57281213      3.62810645
  O     -2.13303076     -4.18274945     -0.91176455
  H     -1.23384603      1.25733584     -1.26368874
  H      1.10887641      0.77046236      4.63459154
  O     -0.34218123     -4.70642413      2.87490679
  H      2.59097192     -1.35380049     -1.57852398
  H      1.88224276      2.04707942      5.05254710
  O      3.76590476     -2.25284831      2.13640872
  H      2.88570468     -0.70540476     -2.95090239
  H      2.68746743      1.17878112      0.52305669
  O      1.62916572     -2.95981706      4.00257637
  H     -0.08675385     -0.49850703     -0.42509950
  H      2.55269266      0.94595087     -0.99500766
  O      1.50693598      1.59764344      4.30100365
  H      0.56281600     -0.37361830     -1.81577976
  H     -2.69136728      2.39563815      0.42137163
  O      2.54192351      1.63269243     -0.31850040
  H     -0.36854264     -0.96623678      1.85347220
  H     -2.41089585      2.59352440      1.91343520
  O     -3.12857962      2.53776903      1.27307766
  H      0.33565411     -2.06103095      0.97083949
  H      1.24068757      2.74654744     -0.04575453
  O      0.50059302      3.33763298      0.18052027
  H     -2.63832961     -4.12047476      0.94810014
  H      0.83313272      4.22932613      0.11800883
          69
 Energy    -249.54969151655615     
  O     18.78695680      8.23068557    -11.83750173
  H     18.65150777      7.50950830    -11.21227028
  H     17.89104557      6.96922379    -15.15443583
  O     13.57374024      8.23154498    -12.88355316
  H     18.62233473      7.85286364    -12.71236133
  H     13.13831569      6.97146625    -14.10962078
  O     13.66393117      6.89517163    -17.29462765
  H     13.17021027      8.85298148    -12.26624195
  H     13.15207399      6.46273753    -15.58607386
  O     17.20528639     10.44047685    -11.92784189
  H     13.92227573      7.50331656    -12.34317167
  H     15.35131493      5.73672564    -11.90282909
  O     15.83240085      7.16946276     -9.25788162
  H     13.14994845      7.15619366    -18.05363852
  H     14.02041914      5.42545267    -11.13358727
  O     18.09624122      5.97508349    -10.18607811
  H     14.34226871      7.58172111    -17.16071273
  H     12.03128230     10.47494577    -10.58158999
  O     11.17518360      4.52412897    -13.40923107
  H     17.81318136      9.68646827    -11.82362641
  H     12.30832044      8.98099856    -10.28859431
  O     15.68279006      4.89103903    -16.91271560
  H     17.73769895     11.23018552    -11.87485430
  H     11.25674215      6.85978354    -10.06603500
  O     13.53157864      5.88042904     -8.15904156
  H     15.33419653      6.83236916    -10.01827538
  H     12.33730049      7.03166844     -8.97961050
  O     15.69097202      8.62499082    -16.82413201
  H     15.73853960      8.13255053     -9.29676493
  H     16.29112626      9.76314497    -13.40712176
  O     17.76829510      6.63020537    -16.95838311
  H     17.33543574      6.40246979     -9.75464978
  H     15.02962453      8.90634450    -13.68878928
  O     17.74349260      7.17164039    -14.22314800
  H     18.61449354      5.57380888     -9.49339715
  H     14.46062616      9.87809498    -10.12139135
  O     13.04059308      6.18753512    -14.66770175
  H     11.72057518      5.13963590    -13.91831927
  H     15.93810821     10.09301205    -10.53257677
  O     14.57608322      6.13341490    -11.48497293
  H     11.72484750      3.74406146    -13.26942585
  H     10.66221930      5.10103163    -11.84290447
  O     12.65041140      9.77016867    -10.74963797
  H     15.45500234      4.46613237    -16.07682041
  H      9.62342289      5.03287625    -10.69889067
  O     11.76043221      7.52298702     -9.58109158
  H     14.93098362      5.45241068    -17.14151592
  H     17.37983152      5.23141890    -11.79102372
  O     15.86155927      9.21495666    -14.07553093
  H     14.39072929      6.29035570     -8.32367983
  H     17.22092009      5.80378598    -13.22146393
  O     15.37022680      9.80871642     -9.80651169
  H     13.47913017      5.11660812     -8.74564281
  H     12.11909557      4.45756325    -10.48377225
  O     10.51000767      5.31720179    -10.90609934
  H     16.48297171      8.08781436    -16.94871786
  H     13.09647869      3.44038596    -11.11969202
  O     16.89443114      5.11843272    -12.61757991
  H     15.73760254      8.97384269    -15.92360495
  H     13.24326086      1.60617955    -13.01628442
  O     13.01513237      4.09773267    -10.41757553
  H     18.40276548      6.39988898    -17.63122858
  H     13.82759436      2.99661011    -13.35017971
  O     13.17737714      2.53211210    -12.79692937
  H     17.07717519      5.94371828    -16.97319128
  H     15.63900704      4.36157735    -13.72891595
  O     14.88266973      4.10841946    -14.27573387
  H     17.06140542      7.85850974    -14.18746301
  H     14.29129470      4.87432639    -14.34608716
          69
 Energy    -249.54963836817586     
  O     11.85354002     11.69521949    -14.28902586
  H     12.54825302     12.34623877    -14.14247118
  H     18.71416771      8.76244114    -13.17736919
  O     15.43712716      6.83458777    -14.02168663
  H     12.12773611     11.18234720    -15.06343986
  H     16.31088278     12.02343067    -15.88280906
  O     17.25898432     10.26732995    -11.31154074
  H     16.25482380      7.00323886    -13.53534412
  H     15.18206266     12.28367829    -16.89166556
  O     17.28068761     10.46742712    -15.47307416
  H     14.74931023      6.70994821    -13.35263954
  H     15.00105266      8.57026930    -14.37359373
  O     12.10914042      7.43403709    -16.55376692
  H     17.95975148     10.36172636    -11.96545609
  H     14.19245778      9.69501167    -15.10584026
  O     14.23603994      8.29909737     -8.74673752
  H     16.46715229     10.70583961    -11.65797926
  H     11.18243115     10.58041672    -13.16720152
  O     13.53260948      6.83590483    -12.01096098
  H     16.45489405     10.11287423    -15.10711696
  H      9.96275380     10.14824297    -12.31743894
  O     14.92546619     11.22745538    -12.36095629
  H     17.98014081     10.23198552    -14.85544823
  H     17.18169220      7.20030141     -9.45962160
  O     16.26843680      9.22938373    -17.83345195
  H     11.44775574      6.92499007    -17.01438891
  H     16.27963115      6.01656530     -9.84795696
  O     14.39650558      5.72256868     -9.57013651
  H     11.88676393      7.39019851    -15.60592190
  H     12.16459991      7.07752032    -13.27188978
  O     14.95439036      7.00938732    -16.78892399
  H     13.79789388      8.79114006     -9.45510262
  H     11.22249702      8.27137975    -13.50080248
  O     19.10107426      9.61303529    -13.44481533
  H     15.13952318      8.63543386     -8.70020270
  H     17.22116729      8.47353075    -12.01009336
  O     15.58887710     12.63207596    -16.08976474
  H     13.46837042      7.75244848    -11.70601968
  H     17.51236220      7.02496673    -11.59985486
  O     14.88279447      9.52491828    -14.45263641
  H     13.77808949      6.30974883    -11.24090023
  H     17.12326458      9.54731710     -9.67843929
  O     10.84923577      9.89475201    -12.55976047
  H     14.88426617     10.59574378    -13.09917074
  H     17.51774886      9.48524106     -8.18686918
  O     17.16855909      6.37529363     -9.96107918
  H     14.67747661     12.08088282    -12.73366572
  H     14.43848871     11.39705237    -19.23960731
  O     11.54629547      7.45900740    -13.90800954
  H     16.80342108      9.57375068    -17.10815695
  H     15.14965177     10.46196410    -18.22916575
  O     17.53415839      7.62773030    -12.35778523
  H     15.85884849      8.41004188    -17.51684519
  H     13.77523855     10.14435474    -11.42910125
  O     16.99194087      9.05068001     -8.85408562
  H     14.00725267      5.10500467     -8.95702323
  H     12.31810931      9.62605940    -11.47097439
  O     14.48912769     11.17560553    -18.31450362
  H     14.28700092      6.61174185     -9.18504575
  H     14.65547175     13.16563646    -14.72186744
  O     13.18265976      9.47172568    -11.06841005
  H     13.99207778      7.06883949    -16.78640336
  H     14.13771113     14.35930494    -13.88695807
  O     14.13500579     13.40727533    -13.93420129
  H     15.19922286      6.77714798    -15.88343854
  H     13.33384464     10.46375645    -17.08352340
  O     12.86511581     10.10626037    -16.31828969
  H     20.04479019      9.47987036    -13.49175227
  H     12.55354663      9.21807542    -16.53515672
          69
 Ord_Energy   -249.549149    
 O   -4.41571188       6.01968718       3.39836001    
 H   -4.70424938       5.10555935       3.52815628    
 H   -3.65399456       5.96162319       2.81077194    
 O   -3.23262525       5.87082005       10.1353855    
 H   -2.46051693       6.04005957       9.56664848    
 H   -3.20367265       6.51635981       10.8365164    
 O   -1.27555251       7.74839497       6.06407976    
 H  -0.851983309       8.55514812       5.78259182    
 H   -1.03141940       7.06169987       5.42008209    
 O   -5.14728642       1.35727131       5.97997999    
 H   -4.20850754       1.13538003       6.03749132    
 H   -5.62494469      0.588105619       6.32037449    
 O   -3.99755073       6.84486818       5.99970770    
 H   -3.16692710       7.33183002       6.02798080    
 H   -4.20278978       6.67141247       5.06720734    
 O   -1.10727811       6.28555727       8.50667381    
 H   -1.12942410       6.83882332       7.71696424    
 H  -0.447002172       5.60110664       8.34519958    
 O   -4.57110357       3.28685617       4.08981657    
 H   -3.90750408       3.64546728       4.70136070    
 H   -5.00173092       2.57937598       4.58444548    
 O  -0.845681787       5.62162638       4.39335442    
 H   -1.13711584       5.64332676       3.47321177    
 H   -1.50451148       5.09910488       4.88021374    
 O   -2.35758591       2.81738281       2.47506046    
 H   -1.78578663       2.30077791       3.05340767    
 H   -3.21582127       2.86011815       2.92160153    
 O   -3.59082174       3.09006691       10.0109367    
 H   -3.46932387       4.02603626       10.2137070    
 H   -4.34806633       3.03400803       9.40696335    
 O   -2.75441217       4.32162476       5.90128326    
 H   -2.46102858       3.84596181       6.68632126    
 H   -3.22197723       5.12281847       6.17280436    
 O   0.661553681       4.09493065       8.01611423    
 H   0.755227447       3.88961053       7.06801033    
 H    1.51296854       3.94384456       8.41729069    
 O   -5.28957367       5.63552046       8.13452530    
 H   -4.98954487       6.16443968       7.38320160    
 H   -4.66073132       5.80791998       8.84535027    
 O   -4.17736530      0.347799987       10.3436775    
 H   -5.13441563      0.437148094       10.2446432    
 H   -3.84221148       1.25109661       10.4080896    
 O   -5.72697258       2.95281482       8.21636677    
 H   -5.51767445       2.51895595       7.37882471    
 H   -5.69204283       3.91354060       8.09354210    
 O   -2.44844770      0.598869085       6.42989016    
 H   -2.16951728       1.32355320       7.01218891    
 H   -2.71249986     -0.131712168       7.00345659    
 O   -6.14491367     -0.802728415       7.38224936    
 H   -6.51885033     -0.355787098       8.15233994    
 H   -5.27168131      -1.10844731       7.65736008    
 O  -0.780130625       1.29865789       4.35002518    
 H   -1.38892043      0.997200489       5.04427004    
 H  -0.349417686      0.516391397       4.01166248    
 O   -6.87266350      0.883967102       9.59543800    
 H   -7.70633268       1.10736191       10.0006399    
 H   -6.56700277       1.68056560       9.12716675    
 O   -3.42281246      -1.26476657       8.29211140    
 H   -3.10844517      -2.09602523       8.63793755    
 H   -3.62811780     -0.702760935       9.06097031    
 O   -2.00289226       5.42470407       1.87267864    
 H   -2.10154438       4.46293736       2.00220537    
 H   -1.85544252       5.56291151      0.941477060    
 O   0.728331149       3.52305794       5.37680387    
 H   0.344667077       4.28840590       4.92779350    
 H   0.266104907       2.75077462       5.02932358    
 O   -1.77258790       2.72716999       7.98783255    
 H  -0.910626948       3.13229370       8.13922691    
 H   -2.32072663       2.84787154       8.77490807    
          69
 Energy    -249.54870641951536     
  O     16.56751855     11.67077222    -12.45690542
  H     17.18691852     10.95528321    -12.27180515
  H     13.14968044     12.38125373    -10.69079697
  O     17.45285419      7.43995646     -8.20909411
  H     16.43691331     12.12089804    -11.61306284
  H     14.96515360      8.49183861    -14.39782774
  O     15.96459119      5.74251076    -11.28371619
  H     17.26301554      8.37613185     -8.35070388
  H     14.30560321      9.76720365    -14.91416743
  O     12.50599288      5.64054802    -10.01047908
  H     17.98318496      7.16413841     -8.96637038
  H     17.72041925      6.21013665    -10.98962067
  O     17.89710421      9.28633614    -11.58213596
  H     15.25030413      5.31707555    -11.77400654
  H     19.23888424      5.95035828    -10.91580387
  O     16.17993049     12.75142016     -9.83639010
  H     15.59494530      5.99238221    -10.42263789
  H     14.49680366      7.36009733     -8.77091428
  O     10.36608896      9.93827374     -9.71591636
  H     13.29271159      5.81121189     -9.47736494
  H     15.80517483      6.63834678     -8.44363552
  O     16.64621138     10.05547760     -9.18272839
  H     12.82410944      5.30095541    -10.85473740
  H     11.69459074     11.35378965    -12.47043170
  O     13.41076854      9.01260844    -11.50330077
  H     17.13392311      8.94153753    -12.07548633
  H     13.14054417     11.63898589    -13.03757619
  O     10.23120894      7.12367751    -10.06881122
  H     18.38996635      8.50127308    -11.32122680
  H     10.77549222      7.67420603    -13.19095960
  O     12.56662330      7.32113768    -13.50076646
  H     16.48640788     13.59332090     -9.51147521
  H      9.96768959      7.61629583    -11.88144426
  O     13.49832509     12.68812960     -9.84211326
  H     15.20566555     12.77692079     -9.81512143
  H      9.94095685      9.72117233    -12.67543949
  O     14.31103807      8.81094451    -15.03653564
  H     10.19706264     10.28039015    -10.60025347
  H      9.16451351     11.04855391    -12.83821529
  O     18.57077433      6.60988280    -10.74441675
  H     10.34639910      8.97534972     -9.79136816
  H     11.47083341     10.63069999     -8.59833829
  O     14.92189747      6.48994953     -8.81027289
  H     16.54978913     11.01324548     -9.25700423
  H     11.74060835     11.17749127     -7.17416407
  O     12.60504730     11.57616965    -12.23567953
  H     17.07849617      9.77571256    -10.00204874
  H     13.22192867      5.75263302    -12.98434493
  O      9.96032602      7.98484050    -12.77414396
  H     13.13719084      9.91272316    -11.72041339
  H     13.32001301      4.21776779    -13.13915630
  O      9.97565699     10.67858207    -12.50021354
  H     13.56843804      8.98520229    -10.55177423
  H     15.27459367     11.61342213    -13.64815078
  O     12.16136634     10.98321969     -8.00694134
  H     11.05950321      6.61547461    -10.02736027
  H     14.72189483     12.26238055    -14.93477305
  O     13.58863625      4.94549581    -12.58416140
  H      9.58014678      6.61334376     -9.59314137
  H     13.46919360      9.73896646     -8.42836322
  O     14.52527686     11.60612692    -14.27072401
  H     13.04646624      7.76718847    -14.21310760
  H     14.94428307      9.49007457     -8.90531143
  O     14.06404766      9.09275460     -8.82563703
  H     12.74802570      7.84834429    -12.70586750
  H     15.83670037      7.26400052    -12.31048828
  O     15.72962861      8.13117054    -12.72041700
  H     13.02313393     12.19751981     -9.16145276
  H     14.95012584      8.52972543    -12.30448636
          69
 Energy    -249.54865595253975     
  O     16.52363868      4.91419862    -13.79053313
  H     15.96049963      4.82180166    -13.01077274
  H     16.79461677      7.87092855    -16.85713211
  O     15.68331104     12.78468484    -11.90011525
  H     17.44159255      4.89019404    -13.49072465
  H     15.19853522     10.51290902    -15.93066600
  O     17.27404626     11.66987729    -14.00779835
  H     14.89099003     12.46705835    -12.36640023
  H     14.53698519     11.47899759    -14.90569171
  O     11.89240169      8.41074040    -13.54610578
  H     15.51859787     13.69546414    -11.66910881
  H     16.25115607      6.81369432    -13.74694812
  O     17.43606917      6.44395970    -10.82083124
  H     16.85825238     12.12921184    -13.26811630
  H     16.88992731      8.22460501    -13.50934576
  O     12.92293115      5.77096899    -13.33860745
  H     16.63452238     11.70159013    -14.72910962
  H     19.90719373      4.77211522    -12.79432996
  O     13.64666507     11.54021822    -13.25942878
  H     11.42567509      9.24380963    -13.67715986
  H     19.24615955      5.94951398    -13.55305729
  O     12.29499271     10.79103503    -16.60540221
  H     12.64991800      8.61197329    -12.97328388
  H     14.51265263      4.60762659    -10.89025912
  O     15.81766022      5.07786373    -16.44850935
  H     18.03702930      6.01614705    -11.44439744
  H     14.16172382      5.43443443    -12.14370285
  O     15.38360263      8.71057320    -16.15200497
  H     16.55239346      6.11216415    -11.01515401
  H     18.39671946      9.28024461    -12.28418807
  O     13.14029034      5.25456085    -16.17128681
  H     12.99880998      5.51337023    -14.26505022
  H     18.03331474     10.14382056    -13.53827911
  O     17.54122389      7.29549338    -17.09447101
  H     12.41671031      6.59249828    -13.33500905
  H     18.74818336      7.17509586    -15.58176295
  O     14.99292669     11.44416975    -15.75901104
  H     13.85473184     10.66682290    -12.89348422
  H     19.09168507      7.98708244    -14.30879511
  O     16.06381149      7.75704842    -13.69940241
  H     12.71239766     11.52361415    -13.49658361
  H     18.86478713      9.03802014     -9.76189246
  O     19.10949894      5.29075040    -12.84702798
  H     13.19308813     11.13550035    -16.52704092
  H     17.90208880      8.08626345    -10.51197051
  O     14.89398014      5.17364704    -11.55676920
  H     12.37951911      9.83064265    -16.68071590
  H     12.41843535      8.14796409    -15.29819900
  O     18.34069929      9.27167694    -13.24715859
  H     16.09249188      4.90808484    -15.53492844
  H     12.76307561      7.06129239    -16.34012085
  O     19.28010942      7.16095125    -14.77816561
  H     16.43019747      5.74005245    -16.78583159
  H     15.80596759     11.23691427    -10.73651392
  O     18.19762523      9.01230192    -10.44269670
  H     14.46303093      8.45499717    -16.29517365
  H     16.58048569      9.96657669    -10.31021194
  O     12.69638964      8.01653534    -16.21644509
  H     15.61385266      8.39190607    -15.26509339
  H     11.39999913     11.01982093    -15.12062274
  O     15.70194084     10.36637999    -10.33366104
  H     12.73267898      4.51621248    -16.61595966
  H     10.20159175     11.52086337    -14.27755517
  O     11.03564021     11.06364434    -14.21764248
  H     14.09901663      5.18060701    -16.32675291
  H     14.81922270      8.53720148    -12.67753394
  O     14.17300442      9.05320033    -12.17530292
  H     17.85743126      7.59695959    -17.94302167
  H     14.63599742      9.43242187    -11.41424992
          69
 Energy    -249.54809823045724     
  O     10.56239064     10.74986560    -12.30624540
  H     10.16285203     10.25727001    -13.03455735
  H     16.37468727      6.10016603    -16.31699540
  O     13.78056444      7.10089862    -14.96913804
  H     11.39816036     11.09540029    -12.64397235
  H     18.16756844      7.35095336    -15.69912280
  O     17.11819364      8.98376321    -10.78266161
  H     14.25023354      6.60841691    -15.65247683
  H     17.75706525      6.53200359    -14.45092628
  O     18.45973939      9.08556361    -16.52501760
  H     14.41897229      7.74540550    -14.62013958
  H     15.39541955     13.31698811    -15.29329801
  O     12.19900568      9.34227042    -15.32843394
  H     17.22339510      8.24171399    -11.39636960
  H     15.94837576     11.91745690    -14.94231500
  O     15.46310666      7.03029365     -9.39490887
  H     16.28184970      9.42383052    -10.99913052
  H     15.16681119      9.21983654    -13.05876792
  O     12.99048040      6.23371572    -12.45610328
  H     19.16165042      9.18109910    -17.16290734
  H     16.13552440      9.47630214    -14.24288499
  O     14.61035285     10.01066289    -11.55582750
  H     17.63113185      8.97316565    -17.02986327
  H      9.79478665      9.25901441     -9.60488439
  O     16.11019552      8.68847849    -17.73879793
  H     11.27474247      9.18695114    -15.10015877
  H     10.46345606      9.67431935    -10.93880497
  O     15.33823557      5.12057088    -11.32144297
  H     12.65683683      8.49231371    -15.26188859
  H     11.13230870      6.62872910    -12.43335880
  O     17.31752780     10.81795692    -14.67436617
  H     16.11036552      7.70757348     -9.62268153
  H     10.23740086      7.57099949    -11.59629083
  O     15.54679443      5.99729794    -16.82020443
  H     14.59319261      7.43247753     -9.53100627
  H     18.19741248     10.18638497    -11.66151970
  O     17.83019455      6.49342077    -15.41283798
  H     13.22255897      6.47936068    -13.36314580
  H     19.40444273     11.12602874    -11.79498442
  O     15.13124965     12.42325784    -15.08942991
  H     13.72906681      5.71609344    -12.11232645
  H     16.53407990      7.50552021    -13.15494886
  O     15.54654589      8.81969156    -13.85326238
  H     14.02127376      9.40093627    -11.08860355
  H     16.54655780      6.19661528    -12.31254168
  O     10.41560429      8.96955905    -10.26746869
  H     14.05669051     10.56771839    -12.12017735
  H     13.37904195     10.12656394    -16.56266484
  O     10.26413804      7.05104145    -12.40932457
  H     15.77842152      7.80490557    -17.54838462
  H     14.45262011     11.22202625    -16.46931532
  O     18.64971191     10.78905984    -12.27108876
  H     15.39365285      9.31290671    -17.55050725
  H     12.15231019      8.39234728    -10.18419569
  O     17.11401149      6.87600130    -12.69712420
  H     15.53770877      4.24643505    -10.99657967
  H     12.99403962      7.46243009    -11.10269600
  O     14.14548093     10.49445317    -17.02118624
  H     15.40748070      5.72661206    -10.56137931
  H     13.73509219     11.79976325    -13.98400951
  O     13.04907428      8.08360596    -10.36163291
  H     17.83208100     10.85573279    -13.85412308
  H     12.80301434     10.57700964    -14.11889156
  O     13.08862422     11.26892613    -13.50300740
  H     17.81260786     10.29558707    -15.31916090
  H      8.78022550      8.72599585    -14.67569187
  O      9.63849953      8.89769996    -14.29834855
  H     15.65419930      5.22699867    -17.37147287
  H      9.82427116      8.17297478    -13.67442349
          69
 Energy    -249.54736348219382     
  O     12.08502141     10.05821632    -14.66285643
  H     12.66481489     10.82801712    -14.67309391
  H     15.73436699      5.21924786    -14.73960541
  O     16.08876725      5.87533403    -13.09652099
  H     12.51746080      9.40149641    -15.22705197
  H     16.68817902     10.75385607    -15.94250975
  O     16.90291081     10.27085598    -10.61759773
  H     17.01994172      5.94225080    -12.85136960
  H     15.75817838     10.25090759    -17.05572697
  O     17.82014381      9.89410899    -14.78533620
  H     15.54411967      6.03499926    -12.31344078
  H     15.74576091      7.53621166    -13.76429932
  O     12.71351720      5.52228798    -15.57305915
  H     16.24490406     10.46874722    -11.29998037
  H     14.84976849      8.33034475    -14.75967697
  O     15.15107703      9.29904673     -8.69394762
  H     16.39559465     10.04837349     -9.82438486
  H     11.40960611      9.23518511    -13.29996247
  O     14.34449325      6.50112990    -11.02922879
  H     17.04939383      9.37460829    -14.50909776
  H     10.15280452      8.91993287    -12.45345864
  O     14.92726298     10.55949750    -12.52993837
  H     18.20537429     10.29755391    -13.99455316
  H     18.31498649      7.28918241    -11.22073821
  O     17.11242316      6.40690684    -17.31702254
  H     11.98452390      4.98248328    -15.86525366
  H     17.64685545      8.53715040    -10.57878976
  O     16.04117223      6.53940571     -8.80845888
  H     12.56306953      5.70884389    -14.62752385
  H     12.97115507      6.12223636    -12.29525504
  O     18.89067614      7.38387835    -15.24820798
  H     14.38099999      9.27699297     -9.27794146
  H     11.82551268      7.00128692    -12.84091285
  O     15.50162774      5.04409968    -15.66308394
  H     15.39798872      8.37653596     -8.55886106
  H     19.67520096     11.23426244    -12.04428483
  O     15.91199079     10.99762839    -16.46831391
  H     14.01204777      7.40938582    -10.98628931
  H     18.25197486     10.76633515    -11.70538049
  O     15.54850147      8.41893849    -14.09968161
  H     14.84242723      6.36470076    -10.21337333
  H     18.90938621      6.70676774    -13.64605518
  O     11.07903368      8.71433335    -12.54551150
  H     15.12880442      9.76295264    -13.04629220
  H     19.57236613      5.70865977    -12.67189025
  O     17.91839315      7.62567811    -10.40981748
  H     14.65503511     11.22632771    -13.16935497
  H     14.11445734      8.24856329    -16.83356285
  O     12.30903281      6.17986226    -12.99471538
  H     17.56578815      5.77925145    -17.87433849
  H     13.24192477      7.23624785    -16.01216489
  O     18.86612630     10.92078980    -12.44028181
  H     16.52704027      5.88967745    -16.73275418
  H     13.81517363      9.68664026    -11.40423986
  O     18.84288713      6.31714811    -12.75654584
  H     16.77517622      6.88101327     -9.35298414
  H     12.44080441      8.99473530    -11.29203295
  O     13.54412203      8.15245909    -16.06119825
  H     16.43150682      6.01958222     -8.11192456
  H     14.05145184     13.02800440    -14.91362226
  O     13.29105789      9.09251399    -10.84730828
  H     18.33461341      7.04812388    -15.95889434
  H     14.73044793     11.72730144    -15.39723226
  O     14.10240181     12.09054930    -14.74771001
  H     18.66655710      8.32161605    -15.15924178
  H     15.49287322      8.60990847    -18.97898731
  O     15.50703809      8.55797377    -18.02606177
  H     14.53913171      5.08510701    -15.70011600
  H     16.12329568      7.84438247    -17.79497938
          69
 Ord_Energy   -249.029175    
 O  -0.590363801       8.80643463      -15.3025789    
 H  -0.794852614       9.72648525      -15.0582705    
 H  -0.946970999       8.67139435      -16.1772614    
 O    5.48308849       11.8371344      -10.0538158    
 H    5.17598343       11.0959263      -9.51881313    
 H    4.73796940       12.4485807      -10.1055117    
 O    2.05405259       6.42088604      -12.3278408    
 H    1.22997856       6.44823647      -11.8260422    
 H    2.72588611       6.83089304      -11.7699366    
 O    4.51907110       9.24162579      -14.9423838    
 H    5.06901217       8.80160713      -14.2829924    
 H    3.66065121       8.79769993      -14.9215603    
 O   -1.36852217       11.2738657      -14.4653740    
 H   -2.10170770       11.0530748      -13.8760567    
 H  -0.897117913       11.9945230      -14.0329905    
 O  -0.295241445       12.9652758      -8.71663094    
 H    4.56184894E-02   13.7197819      -9.21241283    
 H   0.466897994       12.4051132      -8.51947784    
 O   -1.89629114       7.94727993      -12.9095497    
 H   -2.42690253       8.73046207      -12.7200193    
 H   -1.45674253       8.12465858      -13.7499542    
 O    1.90962291       11.1005173      -8.77071571    
 H    1.33943081       10.4533958      -9.21031094    
 H    2.72542548       10.6263533      -8.56690121    
 O    2.63900638       12.4204063      -12.9455948    
 H    2.92851114       12.7065744      -12.0669575    
 H    3.41020131       12.3527250      -13.5227976    
 O  -0.448800236       6.74399424      -10.9687757    
 H   -1.00130749       7.12566185      -11.6754436    
 H  -0.955850363       6.04186773      -10.5704508    
 O   -1.31337917       11.4078455      -10.7359791    
 H  -0.782889187       10.6096554      -10.5967150    
 H   -1.13564157       11.9877615      -9.98253345    
 O    2.11686254       9.79961205      -12.3273239    
 H    2.32398009       10.7075691      -12.5776796    
 H    2.05267072       9.27143383      -13.1338024    
 O    3.96735978       8.19724369      -11.0253077    
 H    4.75563526       8.14369011      -11.5828552    
 H    3.36599636       8.81862545      -11.4631729    
 O    4.82178116       11.9033737      -14.5793037    
 H    4.69153738       10.9573441      -14.7769928    
 H    5.16854334       12.3048849      -15.3714399    
 O   -3.43715884E-02   13.0728359      -12.6448498    
 H  -0.410465121       12.4393492      -12.0162830    
 H   0.880205512       12.8118019      -12.8338337    
 O    2.01002359       8.09681606      -14.5127382    
 H    1.11687958       8.25800705      -14.8401356    
 H    1.98077440       7.38030720      -13.8592253    
 O   0.737396777       14.8549061      -10.6406422    
 H   0.557235777       15.7744904      -10.8185987    
 H   0.404610634       14.3517780      -11.4018908    
 O    4.29796410       9.59172440      -8.67313862    
 H    4.71583796       9.05608749      -8.00354195    
 H    4.19466448       9.02856922      -9.45883751    
 O    6.52228642       10.9494886      -12.4498549    
 H    6.03018904       11.4114828      -13.1370449    
 H    6.22160864       11.3074856      -11.6010780    
 O   -3.19830871       10.4528427      -12.4398127    
 H   -2.60673976       10.8343163      -11.7673416    
 H   -4.08622885       10.7065783      -12.2025404    
 O    6.14850569       8.31037998      -12.7629595    
 H    6.35990620       9.25281620      -12.6220789    
 H    6.97770596       7.85226917      -12.8669281    
 O   0.400826424       9.32325172      -10.2922287    
 H   0.985536397       9.48127365      -11.0516405    
 H   0.101195671       8.41014194      -10.3596840    
 O    2.99732018       13.1716337      -10.3074989    
 H    2.34895587       13.8849249      -10.3359909    
 H    2.60117126       12.4587908      -9.78399944    
          69
 Energy    -249.54687137028083     
  O     11.11108528     10.34049423     -8.93798734
  H     11.15401289     10.90812529     -9.72758651
  H     13.19832803     12.01749421    -15.11801029
  O     12.61766166      8.35494974    -16.84368022
  H     10.30888683     10.56912135     -8.47629224
  H     17.08070378      9.74495543    -12.45881134
  O     11.92159793      8.11609221    -10.55751156
  H     11.83043237      7.91808966    -16.49239951
  H     17.47636164     11.01107011    -13.23707673
  O     14.06651647      8.23367075    -14.52138946
  H     12.33564179      9.24858903    -17.07197742
  H     16.69691436      7.22436957    -12.91180596
  O     14.76465373     13.21023847     -8.94131861
  H     12.87553676      8.27426109    -10.51767380
  H     15.48844346      8.03480906    -13.42459172
  O     11.53201913     11.01918803    -17.32154054
  H     11.53168262      8.74309684     -9.93760096
  H     13.51652604     13.99611105    -10.25015742
  O     11.62940082      8.56344097    -13.22592719
  H     13.28129364      8.31812434    -13.95999928
  H     12.22860990     13.50112829    -10.93352894
  O     14.00695278     11.28168870    -12.09602295
  H     13.72479969      8.16423945    -15.42551168
  H     14.35751967      9.78786357    -11.14506220
  O     13.90139202     10.68476862     -8.49088702
  H     14.45640235     12.30983042     -8.73539291
  H     15.21270396      8.51411029    -11.19483364
  O     15.98442751     14.09308050    -13.75520756
  H     14.98380732     13.62044685     -8.10893629
  H     17.78073449     12.16550091    -15.55344777
  O     11.45657653     11.81390127    -11.20858558
  H     11.54124343     11.48804548    -18.15299063
  H     16.76222124     12.77415908    -14.55647836
  O     12.41195792     12.58197024    -15.19567255
  H     11.81814592     11.65366071    -16.64520231
  H     11.16116641     11.67752931    -14.17555332
  O     17.45500714     10.62642593    -12.35135335
  H     11.65468576      8.35816769    -12.27993951
  H      9.92732045     10.76255390    -14.36678095
  O     16.20290497      8.02793754    -12.76669223
  H     11.29126651      9.46201168    -13.33035314
  H     16.71632535     12.04200664    -11.44036452
  O     12.87049473     14.22440933    -10.92792453
  H     14.15384990     11.14756360    -13.03993228
  H     15.91256352     12.93306791    -10.39564496
  O     14.58452830      8.98996348    -10.64207629
  H     14.68557523     11.90509268    -11.80563985
  H     15.46039331     11.18756506    -14.93177299
  O     17.12530887     11.93638102    -14.90077059
  H     14.26722283     10.01302108     -9.08084212
  H     14.45915563      9.97938412    -14.81056871
  O     10.53002215     11.12073390    -13.69988018
  H     12.94631205     10.54462682     -8.49213710
  H      9.94306651     10.30542710    -16.48141303
  O     16.19463788     12.84950992    -11.31361147
  H     15.06683110     14.38087797    -13.80389775
  H      9.49773695      9.01652084    -15.77118825
  O     14.53425702     10.94198503    -14.81300440
  H     16.11638863     13.79565569    -12.84132273
  H     13.09966229     14.59677523    -12.63913808
  O      9.28845845      9.95454159    -15.86389627
  H     12.37052100     11.61043690    -11.46639429
  H     12.92743343     15.68850359    -13.71366562
  O     13.18929330     14.77893616    -13.59080336
  H     10.92236142     11.63543442    -11.99367654
  H     10.79389956      7.69161332    -14.54512372
  O     10.38199711      7.35786186    -15.36073970
  H     12.60739863     13.39001492    -14.70654696
  H     10.01851563      6.50095709    -15.15358023
          69
 Ord_Energy   -249.546524    
 O   -7.77207327       1.43182003       7.87432194    
 H   -7.46898890       1.62339509       8.77020645    
 H   -7.83499432      0.469710529       7.77040434    
 O   -7.60328674      -1.22324598       7.27875233    
 H   -7.62299919      -1.15354002       6.31543493    
 H   -6.72726870      -1.55406070       7.51256895    
 O   -3.42218304       2.37151957       7.82003784    
 H   -4.14007378       1.95792067       7.32084227    
 H   -2.79779625       2.68611336       7.15637445    
 O   -10.2716331       5.23664188       4.98010874    
 H   -9.77170753       4.56900263       5.47959471    
 H   -11.0576420       5.42584991       5.48609686    
 O   -2.33330607      0.920498013       4.13545561    
 H   -2.87736559      0.981318116       3.34066200    
 H   -2.71404839      0.212833762       4.67267513    
 O   -5.90542173       3.20072150       2.50523162    
 H   -6.67544031       2.76661110       2.90497184    
 H   -6.21949959       4.05617094       2.18601322    
 O   -6.44094419       5.23964787       6.52311420    
 H   -5.77144098       4.79095078       5.98551083    
 H   -6.85656261       5.89093161       5.93962955    
 O   -8.55091095       3.45263290       6.18848753    
 H   -8.44750500       2.73542857       6.82840538    
 H   -7.83022308       4.07911968       6.34887695    
 O   -4.91040754      -1.92689502       8.06043434    
 H   -4.74189568      -1.14405918       8.61466885    
 H   -4.70385265      -2.68944168       8.59477329    
 O   -5.39910460       4.11672115       8.90219498    
 H   -5.77964354       4.62075043       8.17171574    
 H   -4.60606194       3.68361282       8.56102276    
 O   -3.92810845     -0.813552618       5.65968227    
 H   -4.11580276      -1.37220502       6.42271137    
 H   -4.47288799      -2.49865204E-02   5.79900455    
 O   -5.18093300      -1.27489710       3.14430785    
 H   -4.83984518     -0.525763571       2.64186168    
 H   -4.66533852      -1.29832029       3.96238852    
 O   -7.78510857       6.65236664       4.57580376    
 H   -8.69260883       6.33995867       4.67868996    
 H   -7.51449585       6.38203239       3.69088244    
 O   -2.04514122       3.22455573       5.47378349    
 H   -1.19589317       3.62859678       5.32078934    
 H   -2.05434704       2.38125157       4.98388290    
 O   -9.54348946       4.22822142       2.41977119    
 H   -9.96699429       4.61586428       3.19631267    
 H   -9.19080925       3.37958503       2.72149611    
 O   -8.15445900       2.15864706       3.72427106    
 H   -8.29837227       2.59986973       4.57319593    
 H   -8.03115940       1.21901774       3.91169906    
 O   -5.56146002       1.39598835       6.17911148    
 H   -5.39680433       2.23772025       5.73194551    
 H   -6.28603983       1.49668801       6.81272459    
 O   -6.56908178       2.13081026       10.2945690    
 H   -6.85801172       2.40115595       11.1615314    
 H   -6.17532015       2.91481233       9.86805725    
 O   -4.75326347       3.74170208       4.96681786    
 H   -5.02080822       3.62626457       4.04601812    
 H   -3.79305720       3.67105055       5.03701401    
 O   -4.47004461      0.347202927       9.49730206    
 H   -3.88805795      0.994403899       9.07978249    
 H   -5.19075394      0.859462380       9.88350582    
 O   -7.28737259     -0.302515626       4.60134125    
 H   -6.68948507     -0.763030589       3.99407482    
 H   -6.72009468      0.278799713       5.12557983    
 O   -7.25052118       5.58737755       1.89963496    
 H   -7.32489014       6.16771984       1.14640784    
 H   -8.11044979       5.13787746       1.99376535    
 O   -4.13526535       1.14121556       1.92387176    
 H   -4.75640011       1.87405562       2.05879521    
 H   -3.90972590       1.14433885      0.995964408    
          69
 Energy    -249.54635513791442     
  O     15.86700640      9.16166710    -16.46568551
  H     16.55803394      8.93907360    -15.82385713
  H     16.56619674     10.22847177    -17.64596564
  O     14.54289082     12.26401947    -14.96691764
  H     15.07921056      9.30772288    -15.93284906
  H     20.15510217     16.60413940    -13.85291193
  O     20.06906832     10.08750770    -10.82652104
  H     15.47427999     12.10718858    -14.74483246
  H     18.95345048     16.17901694    -12.98663347
  O     20.50482571     12.51686098    -11.99394915
  H     14.09611518     11.44193901    -14.74092001
  H     20.14841910     11.96482023    -15.36639235
  O     17.23008302     10.45076533    -10.93454568
  H     20.29276913     10.97965194    -11.14444995
  H     21.42145100     12.62057340    -14.76691012
  O     17.57190502      8.87416172    -14.31912304
  H     20.68935264      9.88015146    -10.13218632
  H     16.13378731      9.39547732    -11.74129229
  O     15.13160545     12.94836667    -17.62643908
  H     20.58452363     12.29288828    -12.93345208
  H     15.43746972      8.02052540    -11.65162415
  O     18.36773329     14.99677829    -16.20322298
  H     20.99882980     13.33311810    -11.84764534
  H     15.55623327     14.60203860    -17.44365304
  O     21.81271757     14.96071305    -11.86637001
  H     17.24078052     11.39204317    -11.15394402
  H     15.40006755     16.08709954    -17.85317031
  O     18.65431161     12.26493356    -16.44955915
  H     18.15596421     10.20790270    -10.81293700
  H     19.84318019     15.90348226    -15.94251876
  O     13.87585340      9.57062311    -14.33238058
  H     17.04290362      8.64376653    -13.54761453
  H     20.84562997     17.00722256    -16.35443517
  O     16.98268403     10.86775614    -18.25206636
  H     18.50634968      8.91301801    -14.06410733
  H     17.80930661     15.10419192    -14.39768706
  O     19.86525582     16.49436297    -12.93800803
  H     14.82035571     12.66059630    -16.75673682
  H     16.45198066     15.27376353    -13.70184008
  O     20.81949120     11.86591000    -14.67937182
  H     15.73819987     12.26593158    -17.93542525
  H     22.28923098     14.47093657    -13.70472581
  O     15.60980932      8.74662761    -12.24578294
  H     17.52282258     15.24411058    -16.60120355
  H     21.79181575     14.94345223    -15.07641996
  O     15.81790900     15.51375135    -17.21674129
  H     18.50673187     14.05394643    -16.37116314
  H     20.20626207      9.45834765    -12.64242828
  O     20.65869852     16.36298218    -15.67678095
  H     22.34147589     15.46785942    -11.25708404
  H     20.50606360     10.09784755    -14.01927655
  O     17.40456248     15.24178960    -13.53125888
  H     21.09886993     15.54759278    -12.17674219
  H     17.29730259     10.69599212    -14.23709718
  O     22.25222504     14.21878699    -14.63498310
  H     18.09906409     12.08958407    -15.67188423
  H     17.37104858     12.05354515    -13.44830589
  O     20.15565995      9.30449807    -13.59307891
  H     18.23332575     11.79604312    -17.17898173
  H     14.58871283     14.13564474    -14.57634816
  O     17.13463568     11.64652186    -14.29110576
  H     14.44601225      9.31254973    -13.59179295
  H     15.05929568     15.33675882    -15.41143247
  O     14.84383519     15.06535694    -14.51099138
  H     13.04996018      9.10725700    -14.21182229
  H     18.72419742     12.90865217    -11.89917850
  O     17.76285133     12.99963278    -11.95380601
  H     17.11318888     10.41304756    -19.07979109
  H     17.58669608     13.83932670    -12.40059120
          69
 Energy    -249.54579292372117     
  O     -4.06592991      0.05612036      3.20452957
  H     -3.77903586      0.88363960      3.61023300
  H     -5.88404578     -2.70807110      1.59577647
  O      0.46093794      2.03046990      2.33223164
  H     -3.25677651     -0.41614188      2.96414341
  H     -2.75870065      2.42531262     -1.09610614
  O     -1.61836278     -1.09192384      2.50970292
  H     -0.16359143      2.76098088      2.23387130
  H     -3.34395424      1.69681443      0.13177212
  O     -3.89460973     -0.03975410     -2.55588300
  H      0.22953571      1.60043386      3.16405498
  H     -6.15847676      2.08383326      0.47732595
  O     -1.67203590     -1.45197917     -1.37718585
  H     -1.21910153     -0.56877152      1.80108568
  H     -7.30858457      2.84181323      1.18235458
  O     -4.82287836      0.93066528      0.70558871
  H     -2.01136398     -1.86221265      2.07238957
  H     -4.84359593      4.36125255      2.83044841
  O     -7.70447704      2.87623895      2.98401818
  H     -3.12812692     -0.51238398     -2.20981989
  H     -4.44945283      3.31176692      3.89184120
  O     -8.34143943      0.40987398     -0.52126501
  H     -4.66389347     -0.43464578     -2.12387192
  H     -2.44659719      4.46369452      1.83705987
  O     -2.81877930      2.37117047      4.14880789
  H     -1.16866613     -0.85532264     -0.79910890
  H     -2.02562311      3.16649298      1.14380994
  O     -3.70386892      2.67097307     -2.68031434
  H     -1.02846882     -1.91980135     -1.90548626
  H     -4.13876964      6.37749070      1.43755460
  O     -5.95050074     -1.03518907     -0.93725250
  H     -5.12727190      0.18787948      0.16855441
  H     -4.38368296      5.08373572      0.63022966
  O     -5.65781833     -3.20317664      0.78555283
  H     -4.64868653      0.60663854      1.59914155
  H     -6.99836948     -1.11920712      2.80562184
  O     -2.54024190      2.11888639     -0.20934642
  H     -8.30904185      3.36846204      3.53298220
  H     -5.50047846     -1.13438674      3.18681890
  O     -6.94771538      2.62634943      0.31249259
  H     -6.80742507      3.16215512      3.23441165
  H     -0.27101462      0.06510360      5.26889472
  O     -5.20500933      3.75940029      3.49298989
  H     -9.11190236      0.59267108     -1.05321713
  H     -0.97744713     -0.14503745      3.91198520
  O     -1.83296936      3.72338820      1.91348900
  H     -7.91731856      1.26542615     -0.33729776
  H     -8.08284009      1.00825992      2.66187190
  O     -4.03983767      5.42952358      1.47260073
  H     -2.45710883      2.84824005      3.38652657
  H     -8.40026249      0.13465106      1.43282806
  O     -6.23415920     -1.70246205      2.92067272
  H     -2.09862183      1.82131181      4.48004302
  H     -2.54633064     -2.50102462      0.02253825
  O     -0.67534372      0.53127855      4.54141018
  H     -3.43164116      2.91932700     -3.55972221
  H     -3.76731477     -3.04707259      0.80517161
  O     -8.26614179      0.10174482      2.38646914
  H     -3.82498653      1.70396238     -2.69031553
  H      0.02345810      0.88510022      0.96356418
  O     -2.81722781     -2.89196301      0.86187490
  H     -6.84036456     -0.66904900     -0.85514984
  H     -1.23807439      0.97851732      0.08603613
  O     -0.53520834      0.37019738      0.36449093
  H     -5.91028180     -1.84629248     -0.41282271
  H     -5.85810620      3.87592940     -0.52048979
  O     -5.10489818      4.40178742     -0.82280891
  H     -6.06053353     -4.06324466      0.86565452
  H     -4.67212444      3.87570087     -1.50462208
          69
 Energy    -249.54550161873487     
  O     11.65106873      8.17826764    -12.74577458
  H     12.10649209      7.35733181    -12.52275542
  H     15.67292054      6.16875415    -14.93214559
  O     14.63326263      3.58940737    -13.40947503
  H     12.12482091      8.88558058    -12.28341909
  H     16.01836984      4.61830866    -10.82888601
  O     13.51834759     11.16434748    -14.41051307
  H     14.32549062      2.69002394    -13.47846680
  H     17.18838266      4.40338395    -11.82134740
  O     15.11231733      8.54763726     -8.76782117
  H     15.27459860      3.61461365    -12.67556399
  H     21.03495073      6.60527484    -14.96617234
  O     16.75281154     11.58891207    -10.27264886
  H     13.01090592     10.47002736    -14.84678753
  H     19.54848763      6.72622881    -15.37870528
  O     12.24549879      8.77529914    -15.30450423
  H     13.41359397     11.00006343    -13.46396453
  H     13.75194399      5.16485894    -12.83485743
  O     15.94610354     11.77069507    -15.43328822
  H     14.65969631      9.38650187     -8.91024126
  H     13.94342603      6.63022122    -13.25438330
  O     13.35175017     10.16856189    -11.77413444
  H     16.04877199      8.77588869     -8.72169492
  H     15.08909057      8.24921624    -13.94321284
  O     17.41355130      7.38580000    -11.10237828
  H     17.24715298     10.85898041     -9.87746431
  H     13.90267322      8.07694605    -14.97346143
  O     18.20748656      6.68331086    -16.52208522
  H     17.01428889     11.61956851    -11.20170051
  H     14.47472143      6.22615744    -10.92760910
  O     18.22297677      5.56596929    -13.00347201
  H     11.54656326      8.58998876    -15.92504309
  H     14.95848555      6.95389129     -9.62790906
  O     16.20995436      5.36441415    -14.97176708
  H     11.90495502      8.56040837    -14.41607213
  H     18.68497664      9.04449960     -8.65174725
  O     16.42513427      3.96966313    -11.41914907
  H     15.89153128     12.57118816    -15.94862130
  H     17.86341362      8.57866859     -9.87518712
  O     20.16277750      6.78208845    -14.62428837
  H     15.05383431     11.60145763    -15.08025633
  H     15.11857746     11.44208054     -9.69012574
  O     13.55487342      6.07247473    -12.56991972
  H     13.48195024     10.61374674    -10.92857212
  H     13.99572950     11.91574937     -8.73548513
  O     14.74324166      7.70723883    -14.67284954
  H     14.19049681      9.72456096    -11.96972406
  H     19.46049675      8.55954353    -14.18892600
  O     15.11176417      6.18807829    -10.20218742
  H     16.64494019      6.92248764    -10.73543062
  H     18.24839162      9.23352102    -14.84659312
  O     17.90318302      9.23889868     -9.16226227
  H     17.80592618      6.80686440    -11.76792025
  H     16.32528688      8.47501417    -12.05024841
  O     14.22279751     11.23681634     -9.36453072
  H     17.53603562      6.09107431    -16.15855025
  H     16.27224617      9.86038559    -12.73649234
  O     18.92085618      9.35548665    -14.16277826
  H     17.78503975      7.54865503    -16.59482540
  H     16.94256795     11.62439475    -13.81331704
  O     15.75885136      9.05899951    -12.56946204
  H     17.53660057      5.49839626    -13.68213259
  H     18.06658055     10.67597103    -13.31870004
  O     17.36711305     11.27939725    -13.01861340
  H     19.01047121      5.89527470    -13.45423718
  H     16.55468950     10.06608122    -16.00413763
  O     16.79840706      9.13460292    -16.08237398
  H     15.66980134      4.65820863    -14.59692914
  H     16.06145333      8.63942663    -15.70445233
          69
 Energy    -249.54529050354040     
  O     15.04831197      7.78523910    -10.08095422
  H     14.59552020      6.93871661    -10.18016279
  H     13.42889166      8.43968411    -16.06778063
  O     15.12041177      5.10527395    -15.45793559
  H     14.56096920      8.38596972    -10.66484145
  H     17.19018038      6.45579154    -17.97562169
  O     16.95552656      9.93014552     -9.93433421
  H     15.75367215      5.57961881    -16.00811618
  H     17.68121833      6.92150710    -16.58593578
  O     18.30515604      9.12990328    -13.57158223
  H     15.47180591      5.10377241    -14.55693830
  H     17.75230770     10.90507160    -13.85285247
  O     11.11494794     11.68310264    -13.71441405
  H     16.25868889      9.27022438     -9.83372849
  H     17.03264394     11.96895881    -13.00493069
  O     15.87030052      5.40725278    -12.77325731
  H     16.57000886     10.69733419    -10.37458691
  H     15.76191876      7.17005131    -13.27187642
  O     11.45166517      8.85685355    -13.42321248
  H     17.40427240      8.78079211    -13.48941980
  H     15.07343837      8.53289101    -12.95825936
  O     16.03060699     12.26083950    -11.32430097
  H     18.71649721      9.05180501    -12.70134863
  H     13.01577176      5.67378998    -11.58829270
  O     15.01011518     11.39002280    -15.39652344
  H     11.44631432     11.55981619    -14.62365887
  H     13.34198813      4.67960321    -10.44959876
  O     12.45566245      5.51178943    -15.56816167
  H     10.35639043     12.25744734    -13.77166071
  H     11.57877566      7.04402411    -12.92088727
  O     15.20478645      8.70239139    -16.10576257
  H     15.10768561      5.28165675    -12.19394620
  H     12.06980844      5.84110225    -13.74356276
  O     12.47520679      8.30534772    -15.96214998
  H     16.60451499      5.65576209    -12.19005896
  H     19.96087665      9.02823291    -10.39484970
  O     16.88990563      6.68237406    -17.09925888
  H     11.79350018      8.68567688    -14.31435750
  H     18.43953332      9.27848881    -10.53225845
  O     17.29255494     11.75350712    -13.90722761
  H     11.16509989      9.77713556    -13.41473492
  H     18.84622199      8.06080369    -14.91266480
  O     15.73922324      8.10517045    -13.51093141
  H     15.20585948     12.25125578    -11.83684269
  H     19.83240752      6.95060071    -15.30409837
  O     13.70058588      5.40926015    -10.94808183
  H     16.08351493     13.12141079    -10.91377632
  H     16.73198451      6.97036993    -10.55703834
  O     11.91223163      6.14186417    -12.83985857
  H     15.86170551     11.62567978    -14.99764761
  H     18.20767367      7.17855567    -10.92968419
  O     19.20648087      8.84032755    -10.94587066
  H     15.12117281     10.49403465    -15.74331098
  H     12.21820154     10.19891886    -16.24494066
  O     19.04404132      7.40147768    -15.59657705
  H     13.41587795      5.34555471    -15.55250809
  H     13.19429368     11.37430109    -16.02088830
  O     17.51009909      6.51521238    -10.90725464
  H     12.06021497      4.79217422    -16.05272586
  H     12.87210958     11.98950699    -13.07508956
  O     12.25706425     11.15423648    -16.10742103
  H     15.37998280      8.47496938    -15.17793370
  H     14.22541803     11.76427892    -13.80278817
  O     13.82533882     11.93981930    -12.93687702
  H     15.74761187      8.10213630    -16.62789979
  H     13.86513635     10.25708208    -12.20618816
  O     13.77546950      9.32266779    -11.98351097
  H     12.34928165      7.34854860    -15.94320585
  H     12.95198559      9.03594451    -12.40013715
          69
 Energy    -249.54462465560874     
  O     11.80772997     10.00462184    -10.81018155
  H     11.32870319      9.28818983    -11.24612480
  H     14.06911836      5.35723504    -17.77862237
  O     13.75298564      7.13247048    -14.74594670
  H     12.12593615     10.57896214    -11.51678938
  H     16.31014790      6.15139152    -16.70799352
  O     17.77935158     11.25392265    -11.25620825
  H     14.50167318      7.71756236    -14.55255183
  H     17.28873863      6.32302230    -15.52398639
  O     17.39879254      8.90780734    -17.65784176
  H     13.95281256      6.65484809    -15.55900069
  H     14.78601624     13.09325278    -15.62570166
  O     11.80607382      9.05453074    -14.48571895
  H     17.74526320     12.02805932    -10.70041190
  H     15.46301055     11.72042491    -15.41436021
  O     16.36224797      6.92058299     -9.82021376
  H     16.85994925     10.96976592    -11.40005780
  H     15.67088034      9.19966254    -13.12677074
  O     13.33166569      6.36842868    -12.14410116
  H     17.39734935      8.03186469    -17.23171737
  H     16.19015072      9.35849016    -14.57717982
  O     15.27973354     10.27621281    -11.71869169
  H     18.06070579      8.87834031    -18.34373510
  H     20.38267272      7.30693819    -13.24407303
  O     14.59185681      8.45216895    -18.17906073
  H     11.25095073      8.66390172    -13.80213283
  H     18.83949789      7.23821981    -13.27394340
  O     15.79626339      5.05009513    -11.64009786
  H     12.47158157      8.37726334    -14.68398814
  H     10.10513480      7.09442572    -11.94563254
  O     16.89824506     10.70008604    -15.59447296
  H     15.58697191      7.48645412     -9.72434908
  H     11.63986128      7.11484707    -12.10226823
  O     14.47450194      5.97389851    -17.17611069
  H     17.11873827      7.49940881     -9.99646350
  H     19.20349021      9.61068058    -13.58236934
  O     17.19144716      6.46889859    -16.47295620
  H     13.44872639      6.58689656    -13.08158514
  H     18.59467193     10.85484765    -12.90911587
  O     14.62739824     12.20672979    -15.31061143
  H     14.07348765      5.79280506    -11.92191669
  H     16.81890690      5.86254171    -13.01066687
  O     15.82897068      8.72044082    -13.94986451
  H     14.91808832      9.61998062    -11.10727636
  H     16.78329418      7.24593319    -13.71125547
  O     19.59400136      7.80887610    -13.05378240
  H     14.52915606     10.67050436    -12.18505947
  H     18.30625575      9.51153326    -10.65402892
  O     10.83884907      7.65739752    -12.18124535
  H     14.03685949      9.11511114    -17.74169179
  H     18.94723657      8.28165667    -11.31030889
  O     18.88888512     10.50529809    -13.76024846
  H     15.50448399      8.75134799    -18.10601219
  H     12.45227171      9.92964689    -16.10012885
  O     17.28984055      6.42091745    -13.63968893
  H     16.04866797      5.68449942    -10.94173418
  H     13.54123737     10.99061664    -16.33762800
  O     18.46819665      8.56993707    -10.52451773
  H     15.95415943      4.17782443    -11.28936324
  H     13.75747811      7.68134649    -10.85992132
  O     13.05856797     10.27440086    -16.76615164
  H     17.12056443     10.16601825    -16.36812525
  H     13.20256106      8.97271152    -10.21836181
  O     13.96503405      8.37560039    -10.21981783
  H     17.66703320     10.71133097    -15.00143592
  H     13.57703180     11.65341933    -13.85061032
  O     13.10644412     11.16114788    -13.16592467
  H     14.46018902      6.84850440    -17.61053502
  H     12.64786670     10.44264332    -13.62515527
          69
 Energy    -249.54426663973027     
  O     12.46689291     11.14032988    -14.76999671
  H     12.74537892     10.41641601    -15.34762980
  H     14.06718284      5.84423807    -15.65552950
  O     15.86337695      6.49327431    -13.11903437
  H     13.20100856     11.76477425    -14.75832345
  H     18.76333665      7.09864454    -13.73813849
  O     17.37508965     10.63944720    -10.64294033
  H     16.78574847      6.68493501    -12.90398293
  H     18.80236457      8.19325954    -12.66381364
  O     18.20811680      9.85137537    -15.11583101
  H     15.30928750      6.73866279    -12.36497204
  H     16.08927389     10.84426773    -17.18099005
  O     12.28359278      6.53310523    -15.54087781
  H     16.67583493     10.77801607    -11.29872605
  H     17.16456293     11.02510515    -16.09814165
  O     15.20957719      9.97538500     -8.75573263
  H     17.45090223      9.68747587    -10.45628771
  H     16.48940966      9.20586021    -14.70192972
  O     14.13347721      7.35382596    -11.11417679
  H     18.60132665      9.01294121    -15.39043605
  H     15.69258200      8.07161600    -13.98008120
  O     15.41606279     11.03735292    -12.60498350
  H     18.59617249     10.06790888    -14.25808022
  H     11.64300659     10.46717727    -13.40500083
  O     16.86069268      7.09220628    -17.09031427
  H     12.15325793      6.75311298    -14.60041468
  H     10.33847648     10.37868271    -12.57661935
  O     15.45100829      7.25655979     -8.64156389
  H     11.52878161      6.01699053    -15.80963537
  H     17.06131979      7.52050603     -9.66130874
  O     19.07099575      7.21143963    -15.60175590
  H     15.97618327     10.38721853     -9.16955073
  H     18.01938708      7.43073698    -10.88790431
  O     15.01041629      5.64703998    -15.65120830
  H     14.48024455     10.10045343     -9.37956308
  H     12.66328285      7.15480200    -12.30315690
  O     18.53738441      7.27684935    -12.81537543
  H     13.92026174      8.29747628    -11.08053179
  H     11.65842608      8.19412309    -12.85030007
  O     16.43088008     11.47648623    -16.53760602
  H     14.49733679      7.13796636    -10.24709982
  H     20.16897007     10.30861432    -12.24419687
  O     15.62200393      8.95779122    -14.35766906
  H     15.25338566     11.77854516    -13.19965572
  H     18.67994955     10.38513141    -11.84999891
  O     11.22496818     10.03373940    -12.63891189
  H     15.45317769     10.25342325    -13.17448618
  H     14.98931674      9.36744122    -19.01742119
  O     17.77190382      7.97215487    -10.13165753
  H     16.18062432      6.54966678    -16.66125101
  H     14.62344784      9.21319962    -17.52278395
  O     11.98245027      7.29317759    -12.97273396
  H     16.41088503      7.83408168    -17.50577340
  H     14.09908135     10.49784224    -11.52372459
  O     19.29147899     10.07504184    -12.53742584
  H     15.36271274      8.22481968     -8.56946018
  H     12.60409983     10.11418611    -11.40034755
  O     15.36224272      9.35622127    -18.13937227
  H     15.35420328      6.90384582     -7.76151999
  H     14.89663354     13.70133942    -14.90881590
  O     13.45221017     10.06963253    -10.94316979
  H     19.79710908      6.81161212    -16.07204784
  H     15.40052724     12.33082374    -15.41491047
  O     14.83968165     12.76360608    -14.74629966
  H     18.28151172      7.10571043    -16.16586986
  H     14.25714547      8.94786391    -15.50316298
  O     13.53578627      8.95470438    -16.15356391
  H     15.30150042      5.77543391    -14.73775517
  H     13.04631825      8.13055992    -16.04037553
          69
 Energy    -249.54423325117020     
  O     12.10913886      6.16863226    -14.85510861
  H     12.53045091      5.31103140    -14.71586450
  H     15.89408170     11.67464619    -14.97429297
  O     16.42184700      6.17377924    -12.26334924
  H     12.75669834      6.70857303    -15.32487207
  H     16.11055207      9.30885237    -11.63668412
  O     15.11478089     10.01704606    -10.24353583
  H     16.17602882      5.83285658    -13.13171782
  H     17.43364143      9.14568018    -12.43497000
  O     20.09462535      7.39288398    -13.70340253
  H     16.48958157      7.13591628    -12.35703400
  H     10.09370710      6.78411338    -12.48172429
  O     13.53442773      3.80720466    -14.05678262
  H     15.47786346      9.47087492     -9.53420870
  H     11.37917594      6.62267923    -13.32720861
  O     14.59935625      6.46043534    -10.26091970
  H     14.27150885      9.61817613    -10.49922704
  H     16.06526129      7.75077145     -7.64615113
  O     14.14562872      9.48162324    -13.72502281
  H     20.90317029      7.15402258    -14.14862528
  H     15.60718760      7.36536969     -9.07056813
  O     19.08200568      6.01291996    -11.36433807
  H     19.36845716      7.21068559    -14.32652556
  H     12.10248657      5.31425486    -11.76213176
  O     16.63794839      9.02943840    -16.74805995
  H     13.32027732      4.04506644    -13.13719597
  H     13.41803519      5.11300463    -10.99252573
  O     15.68090793      5.44504468    -14.83865015
  H     13.33414397      2.88011784    -14.15395896
  H     18.99815314     12.67250818    -12.88429682
  O     19.20265284      9.56279778    -12.18041535
  H     15.26212244      6.25004040    -10.93863968
  H     18.71840328     11.17243695    -12.64172812
  O     16.74109095     11.29027311    -15.23073168
  H     14.03506769      7.15313503    -10.63354857
  H     17.92470597      8.20965610     -9.33783154
  O     16.49332947      8.93253761    -12.44137517
  H     14.06695794     10.42936193    -13.88799006
  H     18.91904213      7.42955161    -10.22686550
  O     11.04536990      6.77450445    -12.42446857
  H     15.05056233      9.32154354    -13.41171870
  H     16.63403065     12.24075393    -12.03689803
  O     16.13229469      8.00656929     -8.56287768
  H     18.16261781      5.89947929    -11.64246496
  H     15.52916128     11.64291459    -11.12203480
  O     12.79518054      4.66698666    -11.57857088
  H     19.53703599      6.35977434    -12.14068965
  H     15.03186350      8.10310897    -16.29581942
  O     18.31483191     12.00847729    -12.93168882
  H     16.87995182      9.28958773    -17.63349315
  H     14.14866013      8.31529495    -15.06139805
  O     18.75199350      8.29505584     -9.82098491
  H     16.69063083      9.83243071    -16.20073312
  H     13.35313025      8.84163854    -12.24431146
  O     15.71609283     12.34690478    -11.75626178
  H     15.02678226      4.76394294    -14.63870589
  H     12.23597335      7.98062555    -11.63158463
  O     14.31452467      7.70004257    -15.79240345
  H     15.18645271      6.20646047    -15.17580883
  H     14.76032452     12.35830017    -13.19889490
  O     13.01543321      8.50133764    -11.40197617
  H     19.60783922      8.87661601    -12.72607843
  H     13.74535897     13.00176329    -14.17771097
  O     14.30939694     12.24373707    -14.05607514
  H     19.11578576      9.21098638    -11.27913306
  H     17.34641254      6.28575376    -15.25032969
  O     18.03974766      6.93949673    -15.40157323
  H     17.35100487     11.51830166    -14.51931551
  H     17.61977904      7.66871604    -15.87378110
          69
 Ord_Energy   -249.544174    
 O   -3.53257132       4.34013748       1.92562854    
 H   -4.13804531       4.07288074       1.22446752    
 H   -2.83642530       4.85454893       1.49547648    
 O   -3.31585407      -1.22368300      -1.48849702    
 H   -3.69739771     -0.479011416      -1.00472736    
 H   -3.20491576      -1.92639399     -0.837211013    
 O   -4.13931322      -1.04990947       2.25586438    
 H   -4.25992775     -0.327590495       1.62437236    
 H   -3.70567727     -0.671748281       3.03012466    
 O    1.54953992       1.69975674       1.10254991    
 H   0.611685157       1.50021029      0.986256123    
 H    1.76755202       1.50175142       2.02327609    
 O    2.83288503      0.795587599      -1.14648008    
 H    2.45775747       1.13151729     -0.313938081    
 H    3.75982857      0.636229157     -0.986218154    
 O    1.87814939       1.19497585       3.81838083    
 H    1.18821359      0.506680667       3.85313582    
 H    2.57721853      0.915281236       4.40250540    
 O   -4.96873760       3.44862413     -0.394205689    
 H   -5.74405861       3.80679703     -0.816898704    
 H   -4.19780350       3.75511670     -0.906773210    
 O    2.26439357       5.41220045      -1.09963679    
 H    2.74980116       5.98430157      -1.68654227    
 H    2.04615188       4.61669588      -1.61681700    
 O   -2.01488495       2.47096610       3.16303873    
 H   -2.62955403       3.13106561       2.80936933    
 H   -1.21804011       2.92703938       3.47077179    
 O   0.372655183       3.63864565       3.79434061    
 H   0.961696923       2.88354421       3.91713929    
 H   0.675586343       4.09347296       2.99780369    
 O   -2.69444442       4.25370789      -1.59615386    
 H   -2.11238480       3.51761532      -1.82874405    
 H   -2.20533085       4.78419685     -0.954873204    
 O  -0.975759506       2.07251096      -1.84934378    
 H   -1.08579528       1.26093614      -2.36125994    
 H   -1.03890634       1.81904507     -0.918989003    
 O   -1.26189637     -0.442923248      -3.04910970    
 H   -1.40648174     -0.709112406      -3.95287347    
 H   -2.02500677     -0.762348831      -2.53374267    
 O   -2.72232914      0.170615017       4.40562582    
 H   -3.08915186      0.339902818       5.26982784    
 H   -2.51758981       1.03817940       4.01370811    
 O   -1.23511779       1.23315847      0.826129138    
 H   -1.09793341      0.282950848      0.965188622    
 H   -1.47691762       1.65408683       1.66444814    
 O   -4.01980019      0.896744192      0.223971471    
 H   -3.08886957       1.09421813      0.385497659    
 H   -4.44796133       1.73419106       7.42843002E-03
 O   -1.38919199       5.61077929      0.545819283    
 H   -1.20871925       6.54815626      0.531687081    
 H  -0.550390840       5.17702866      0.769447744    
 O   -2.93379140      -2.93955445      0.762193978    
 H   -3.21733284      -3.82469177      0.971998036    
 H   -3.42496419      -2.33572674       1.35005844    
 O    1.60564411       3.07917380      -2.35719562    
 H    2.12250161       2.30763888      -2.09805298    
 H   0.682616055       2.81265593      -2.25272036    
 O  -0.597913325      -1.42623675       1.11516118    
 H   -1.33491611      -2.03535295      0.986156762    
 H   -4.83706892E-02  -1.44522285      0.316099018    
 O   0.785979033      -1.20596969      -1.21689820    
 H    1.52019584     -0.586144209      -1.29748750    
 H   0.160612583     -0.984975815      -1.91832530    
 O    1.05615067       4.47983980       1.15251863    
 H    1.26551151       3.53999925       1.07991600    
 H    1.54622257       4.91516542      0.438137084    
 O   -7.02883601E-02 -0.655884981       3.73769569    
 H  -0.960218608     -0.471172690       4.05970526    
 H  -0.177654743      -1.04163575       2.85697031    
          69
 Energy    -249.54371736466766     
  O     15.72550215     10.43290998    -16.58760456
  H     14.87450634     10.60869303    -16.16963545
  H     19.22397754     10.61412033    -16.74856221
  O     16.34237971      4.96434875    -13.77954362
  H     15.56750414      9.79252853    -17.29415082
  H     16.43007395      8.41045531    -14.05882138
  O     17.16132749     13.29490797    -11.00892821
  H     15.45728026      5.34241707    -13.81456064
  H     16.59227024      9.20053136    -15.39555680
  O     19.73668068      8.82402565    -14.51023717
  H     16.77036639      5.19596151    -14.61519558
  H     13.75365924     10.76452500    -14.30470363
  O     16.88211176     10.03258584     -9.27891750
  H     16.35377254     12.89701148    -10.66261469
  H     12.58423372     11.19741592    -15.21856705
  O     15.33783135      8.25190946    -12.58821763
  H     17.88787553     12.86011395    -10.54286906
  H     17.87660562      7.02219462    -11.20398612
  O     17.40091552     11.75728091    -13.28803694
  H     19.99558869      9.17209942    -15.37099064
  H     16.72317284      8.00073277    -11.52326861
  O     19.97364452      6.02001569    -14.18463505
  H     18.77235688      8.72474240    -14.56375845
  H     13.39689670      8.76205502    -15.79071407
  O     13.79563702      6.31340907    -13.86224421
  H     17.08715283      9.20416100     -9.73181342
  H     14.15122689      7.89797690    -16.82912376
  O     17.80764263      6.09179113    -15.90952213
  H     17.69025601     10.55960660     -9.31552748
  H     19.30635929     11.02927513    -10.68988954
  O     18.28140192      5.36535489    -11.91297587
  H     14.69245804      7.62194784    -12.93306501
  H     20.06074935     11.72754842     -9.53529932
  O     19.78839841      9.90454049    -17.10641501
  H     14.98403368      9.14836974    -12.64925798
  H     19.56521310      9.57650428    -12.87971670
  O     17.00098044      8.53917714    -14.82550183
  H     17.34378211     12.44951851    -12.61309411
  H     18.63968930      9.18497890    -11.69237274
  O     13.31137369     10.58346838    -15.15137985
  H     17.98989566     11.08137681    -12.92861730
  H     15.55846246     11.02455346     -9.82216745
  O     17.54600254      7.90960330    -11.01839300
  H     19.53100396      5.82373087    -13.35054496
  H     14.30455594     11.85205904     -9.45566040
  O     13.56532240      7.85209226    -16.06424194
  H     20.06195981      6.98208349    -14.22498631
  H     18.61130985      8.51183252    -17.79309494
  O     19.19233503     11.59432923     -9.90599023
  H     12.97896192      5.84154075    -13.72316225
  H     18.04111599      7.11233519    -17.44949712
  O     19.16691361      9.90767204    -12.06362689
  H     13.70184847      6.79778138    -14.70208874
  H     14.67027370     11.23419529    -11.94909552
  O     14.89698495     11.64765618    -10.17412880
  H     18.63642546      5.94422969    -15.42848873
  H     15.67039051     11.22433522    -13.13132222
  O     17.97439609      7.84609924    -18.07685136
  H     17.44940844      6.92724620    -15.57131320
  H     17.24493412     11.40933976    -16.36562025
  O     14.77340126     10.96416959    -12.87111163
  H     18.46696499      4.54054588    -11.47114685
  H     17.96267188     11.86989775    -15.09560833
  O     18.09606649     11.73817274    -16.04257564
  H     17.55679776      5.18774254    -12.53964876
  H     16.27630224      8.09257518    -18.27792848
  O     15.32338152      8.29398198    -18.31395864
  H     20.44195843     10.32650450    -17.65776262
  H     15.05152966      8.15948794    -19.21775478
          69
 Energy    -249.54355356255175     
  O     -2.13283872      5.01358529      3.28939520
  H     -1.59603698      4.58890634      2.60964320
  H     -4.08201488     -4.15206456      1.99673801
  O      1.56665752      0.52460615      0.77214644
  H     -1.83112121      4.64350549      4.12942519
  H     -0.47183062      2.52565597     -0.03937336
  O     -1.26409463     -0.61489422      3.82420218
  H      1.01578604     -0.24050507      0.99142856
  H     -0.16282003      2.67395218     -1.54547392
  O     -4.14210006      1.17325333      0.58136218
  H      1.09185911      0.99171025      0.07482912
  H     -5.26188526      5.51224255      3.51732203
  O     -2.85421423     -2.75059811     -1.21908770
  H     -2.10322460     -1.08299666      3.93693063
  H     -3.88924725      4.85884156      3.24234517
  O     -0.42247161     -1.34723191      1.29931709
  H     -0.87542145     -0.93110517      2.99562695
  H     -5.72590352      3.43771328      2.17269337
  O     -5.36614667      0.15196864      5.18246658
  H     -3.54675008      1.30296023      1.33677760
  H     -6.56609428      2.13831568      2.20818371
  O     -7.22268576      0.67930352      3.28410091
  H     -4.87979573      1.78107269      0.73337775
  H     -1.33326746      2.65313160      2.02516733
  O     -1.47276615      3.62772304      5.71884046
  H     -2.58633624     -1.82473558     -1.10374296
  H      0.17319324      3.03450420      2.05231967
  O     -2.09787485     -0.13806381     -0.66441255
  H     -2.78953293     -2.93731870     -2.15276151
  H     -3.64882125     -2.74888041      3.62891767
  O     -5.49631451     -0.94783700      1.75266003
  H     -1.02828756     -0.91743547      0.68216980
  H     -4.32842802     -1.47318053      3.10113025
  O     -3.52066584     -4.41783989      2.74842766
  H     -0.59272013     -2.29815404      1.23155578
  H      2.62520609      2.65801188      2.86202640
  O     -0.28944760      2.02836743     -0.85453450
  H     -4.83412105      0.95861183      5.23095227
  H      1.76257061      1.62150704      2.10425480
  O     -4.83875379      4.67334928      3.35203814
  H     -4.77340742     -0.56269004      4.92046840
  H     -0.32257172      0.72438536      4.71351484
  O     -6.11835343      2.75532493      1.61514282
  H     -8.10693011      0.54504022      3.61415650
  H      0.72959035      1.77303910      4.28731677
  O     -0.66624043      3.22531360      1.61325554
  H     -6.61575220      0.50463857      4.02605080
  H     -4.39864516      3.29480202      4.53276250
  O     -3.77319129     -1.81067373      3.81872733
  H     -1.15323776      3.96109933      6.55284954
  H     -3.14967488      2.91940905      5.37884628
  O      1.73960614      2.31201125      2.79103721
  H     -0.89738534      2.87883491      5.47842498
  H     -5.25560163     -2.59129035      0.96960436
  O      0.08947366      1.55822167      4.97689105
  H     -1.46646171      0.55953412     -0.87797046
  H     -4.30956403     -3.22411625     -0.07389556
  O     -3.95572532      2.56255239      4.98206615
  H     -2.88886784      0.30912588     -0.32635628
  H     -1.82918091     -3.66670804      0.16557940
  O     -4.91962706     -3.43806297      0.64241889
  H     -6.21254576     -0.49875863      2.21714772
  H     -1.97699551     -4.14774894      1.62236004
  O     -1.32494445     -3.90061975      0.95516274
  H     -5.02664052     -0.26193587      1.25881029
  H     -3.07980940      1.92875890      3.48316654
  O     -2.55285565      1.57222954      2.75793235
  H     -3.82022932     -5.27962658      3.02538359
  H     -2.07375641      0.80976492      3.10874830
          69
 Energy    -249.54258740684634     
  O     15.70027232     11.34981625     -9.09661846
  H     16.04815058     11.89667310     -8.39715206
  H     14.30018036      6.57412182    -15.09184732
  O     12.69966135      5.99006620    -11.63315296
  H     16.38794505     10.69231724     -9.30469297
  H     17.92197321      5.72562130    -15.58407533
  O     17.47943861     10.06428988    -12.52209562
  H     13.27487791      6.31437130    -10.92585845
  H     16.52448285      5.89628415    -14.94330906
  O     17.87616612      8.71653666    -14.88019181
  H     13.22213222      5.33741341    -12.11348487
  H     15.01261024      8.01690483    -11.42548860
  O     15.85151494     12.00834182    -13.82532353
  H     17.81595218      9.56414278    -13.27885204
  H     15.91341789      9.04841639    -12.19320631
  O     14.56343279      7.08915972     -9.88338272
  H     17.02540294     10.83126143    -12.89165794
  H     13.07785322      9.65957269     -9.67492738
  O     15.41141917      9.89872110    -15.66746319
  H     17.75544028      7.76301175    -14.76569444
  H     14.27661418     10.11982041     -8.83134965
  O     15.70428389      6.18205128    -17.86815993
  H     17.02394049      9.07986356    -15.15847177
  H     14.32991484      3.33013880    -13.25060646
  O     11.30612509      7.89331653    -12.95000175
  H     15.29684019     12.08745852    -13.02779316
  H     14.50783072      4.70549428    -13.93122388
  O     16.92306992      5.37217241    -12.06687062
  H     16.11709602     12.89382008    -14.06036208
  H     13.55532554      9.55386740    -11.74501670
  O     13.66487253      8.13336274    -14.46471521
  H     14.24938222      7.86265361     -9.38945924
  H     12.04672693      9.38179089    -11.97320845
  O     14.73588005      5.74928435    -15.34899815
  H     15.47200890      6.90337443     -9.62171777
  H     17.24660737      6.19977590    -10.57355324
  O     17.47332399      5.97088335    -14.76539577
  H     15.48922637     10.66927605    -15.09072814
  H     17.88051081      6.10761352     -9.16707375
  O     15.06503622      8.59290613    -12.19909747
  H     14.70798040      9.33604674    -15.31187953
  H     18.66591850      6.60978074    -17.51020453
  O     13.58902449      9.44419254     -8.88349074
  H     15.73197527      7.12653897    -18.06442523
  H     19.18777219      5.19187286    -17.84621139
  O     14.44809981      4.25954018    -13.06937335
  H     16.62514623      5.89570842    -17.82563839
  H     17.70561186      9.72998036    -10.74443076
  O     12.69287587      9.94448119    -11.53343555
  H     11.75248551      7.18109431    -12.45399496
  H     17.54568114      8.55750467     -9.74689468
  O     17.34024232      6.66409213     -9.72199120
  H     10.39035655      7.64213705    -13.02773649
  H     15.55102375      9.57983429    -18.88694042
  O     18.49743900      5.65879085    -17.38380124
  H     17.29662337      5.57357405    -12.93398814
  H     15.73272665      9.41133455    -17.36254194
  O     17.56311679      9.51923864     -9.81035486
  H     16.07513035      4.95096951    -12.24932100
  H     13.66965273     11.52918715    -11.55015732
  O     15.97126269      9.03507373    -18.22590957
  H     12.75604482      8.09594703    -14.14525527
  H     14.89009232     11.94176213    -10.70263562
  O     14.43988270     12.11327318    -11.53958021
  H     14.21887659      8.22569524    -13.67074793
  H     17.84720737      8.66300712    -17.95315840
  O     18.68041304      8.36800301    -17.56474751
  H     14.95672500      5.81806535    -16.28936156
  H     18.61590151      8.60207581    -16.62853835
          69
 Energy    -249.54256767152992     
  O     12.37355330     13.09007775    -12.76781583
  H     11.61487446     13.63815795    -12.95132228
  H     12.95618953      7.19960052    -15.60375725
  O     20.28270066      8.28582767    -11.10839170
  H     12.03685336     12.27284349    -12.35978850
  H     15.42905506      9.41370507    -12.96054651
  O     17.41125795     11.10316310    -11.33429851
  H     20.09033633      7.43349863    -11.52077328
  H     14.86643476     10.86707459    -13.17522817
  O     12.83640349      8.39657486    -12.53982737
  H     19.52987211      8.47705505    -10.53807320
  H     14.40839509      9.41779713    -16.02451263
  O     16.94260359      6.71670028    -11.66477705
  H     16.57655074     10.83637616    -11.74507039
  H     14.76546714     10.88536836    -15.71820924
  O     14.29383193      7.01453325    -10.64044376
  H     17.32943474     12.04277138    -11.12434205
  H     15.42343622      8.45965527     -7.58325985
  O     19.48334877      5.99856012    -12.62861736
  H     13.20087712      7.79218533    -11.87479355
  H     16.20195681      8.72934535     -8.89014808
  O     14.49941160     12.12706346    -14.35069252
  H     13.45652372      9.13798136    -12.55314603
  H     20.83511728      9.32156599    -12.42019328
  O     17.60037666      9.41550420    -15.56014819
  H     16.59833448      7.11939260    -12.47760882
  H     22.01661516      9.98620195    -13.16592019
  O     17.68859025      8.74884598     -9.90536292
  H     17.77927411      6.30669025    -11.91451271
  H     17.60709263     12.79475355    -14.03408283
  O     19.71671609      7.74219675    -14.70029112
  H     14.48512788      7.52214355     -9.84386667
  H     16.93196075     13.69581490    -12.98474241
  O     13.49362142      7.84834030    -15.15617741
  H     15.15620905      6.72140819    -10.96213407
  H     15.97060763     13.77588686    -10.89697203
  O     15.06241179     10.18847881    -12.51158433
  H     19.93662553      5.18566344    -12.83467969
  H     17.24956721     14.57996605    -10.55405724
  O     15.01942819     10.12448675    -16.25868036
  H     19.53023505      6.55627473    -13.42641204
  H     13.64609428     13.46758649    -11.36758691
  O     15.31341274      8.71072062     -8.49691793
  H     13.75765376     12.57048677    -13.92265273
  H     14.18966694     12.57437744    -10.23585892
  O     21.08508404      9.79475906    -13.23391336
  H     15.29136691     12.68088512    -14.25894502
  H     19.63191069     10.88193416    -13.68476935
  O     16.87121126     13.40634325    -13.90343100
  H     16.77245830      9.72693253    -15.95580395
  H     18.33216947     11.17563371    -12.91907573
  O     16.92757022     13.84524181    -11.06853412
  H     17.96559831     10.13635698    -15.02801974
  H     11.72893617      9.89417827    -11.87941420
  O     14.29987196     13.43665495    -10.65983095
  H     17.65569541      9.59916794    -10.36867937
  H     12.30961226     10.77320413    -10.76898896
  O     18.74924560     11.25869743    -13.78833168
  H     17.42772564      8.05584382    -10.53192660
  H     14.39400150     10.52329524    -10.80930834
  O     11.67168811     10.77689048    -11.49644024
  H     19.00909037      8.20906370    -15.16233640
  H     14.39470981     10.11251191     -9.32236958
  O     14.01850872     10.74529372     -9.94492811
  H     20.28087973      8.43118163    -14.32707604
  H     16.61453186      8.40736118    -14.48093071
  O     15.99575163      7.96521672    -13.88189057
  H     13.09965580      7.98041252    -14.27769030
  H     15.19553302      7.76776245    -14.38357613
          69
 Energy    -249.54215427965812     
  O     -4.69679493      0.10713286      0.80099618
  H     -5.36487025      0.78829565      0.79925768
  H     -0.58826992     -4.94442718      0.53606206
  O     -4.19496986     -2.02347167      5.92064357
  H     -4.61912614     -0.20418492      1.71827751
  H      1.60319697      0.35753866      3.76463733
  O     -1.66845461     -0.09230820      3.76028346
  H     -3.22236845     -2.00623068      5.94015709
  H      2.18343019     -0.93526782      3.18757024
  O     -4.22983990     -0.91505042      3.30658284
  H     -4.48890137     -1.78946547      6.79747953
  H     -1.21849186     -1.10474155      0.87133896
  O      1.21511705     -2.18260742      5.97508845
  H     -0.96954412      0.56547651      3.65816168
  H     -1.11603707     -1.14094882      2.41201103
  O     -4.17863866     -4.66268829      4.69737418
  H     -1.45521746     -0.69082941      4.49106628
  H     -1.40629927     -3.29116975      1.57741507
  O     -1.45858622     -2.11852418      5.63588444
  H     -4.45666107     -1.24590598      4.18380029
  H     -2.72065240     -4.09447979      1.70672925
  O      1.40051897     -4.82778751      4.75866045
  H     -3.34238398     -0.53462914      3.40326819
  H      0.93481481     -1.76798854      1.61514836
  O     -2.09035992      0.01296672     -0.35010559
  H      1.59573917     -1.54628174      5.35055149
  H      2.14124098     -1.43916599      0.72247647
  O      1.95685629     -4.53486867      2.12623155
  H      1.39610456     -3.05784725      5.61382493
  H     -4.46969577     -4.08745405      2.99209897
  O      0.22379923     -2.77264820     -1.54074343
  H     -4.31216599     -3.86426074      5.22176076
  H     -4.31630296     -2.64135415      2.49802350
  O      0.16185567     -5.20751793     -0.02581366
  H     -3.22316557     -4.81343896      4.69575340
  H      2.56360099     -0.65076422     -1.71319689
  O      2.09152848     -0.43556704      4.00991737
  H     -1.50423861     -2.95809100      5.15635275
  H      1.32340729     -1.44772374     -1.24481260
  O     -0.88320698     -1.62697696      1.61025228
  H     -0.53595363     -2.04341021      5.92419952
  H      0.39870489      1.54051602      2.07700641
  O     -1.76690049     -4.19234305      1.59485233
  H      1.96760588     -5.49725268      5.13224338
  H      0.55175404      2.59412826      3.19679771
  O      1.90186286     -1.81875513      1.57524067
  H      1.64562609     -4.74667335      3.81950783
  H      0.95581782      0.68178523     -0.12160545
  O     -4.40323157     -3.55226716      2.18793963
  H     -2.19778378     -0.63381651     -1.05941388
  H     -0.53905537      0.99495769      0.03335306
  O      1.92634399     -0.71982066     -1.00757611
  H     -2.96487548      0.15072224      0.03494860
  H     -2.84090581     -2.22146383     -2.97465398
  O      0.37710602      1.66952930      3.04180259
  H      2.07525774     -3.59195331      1.94209034
  H     -3.25953513     -2.40578905     -1.49951547
  O      0.33775740      1.26059476      0.34094562
  H      1.44943583     -4.87919777      1.38371353
  H     -1.42452738     -4.52767550      3.38731302
  O     -2.51167192     -2.17913900     -2.08016187
  H      0.27956044     -3.61410982     -1.07219321
  H     -0.43756684     -4.77395245      4.55913184
  O     -1.36276428     -4.59142709      4.34964477
  H     -0.70859331     -2.63942606     -1.74938925
  H     -4.79553173     -1.60172855     -0.10230330
  O     -4.62093730     -2.50162070     -0.40408516
  H     -0.03779911     -6.07832834     -0.36033788
  H     -4.64653874     -3.04331110      0.39542940
          69
 Energy    -249.54154898869956     
  O     -0.46671265     10.26445795      0.79382784
  H     -0.35865585     11.14278056      0.39482549
  H     -5.34896919     10.97996084     -0.43278325
  O      0.23358004     13.78797754      2.31350748
  H     -1.28218847     10.30927226      1.31138036
  H      2.14366449      7.61732919     -1.26580728
  O     -1.52676118     14.48889467     -1.74118369
  H      0.16096762     13.39232586      1.42925522
  H      1.55788416      6.40243610     -2.02575089
  O     -3.48362044     13.93493703      0.07942104
  H      0.88188584     13.27021115      2.80718644
  H     -2.13375315     10.04078699     -2.20300667
  O      3.82655676     11.90758014     -0.20571517
  H     -1.66400377     13.94399045     -2.52622008
  H     -2.59048882     11.32280449     -2.93040844
  O      3.27822784      8.27769552     -0.11302010
  H     -2.30922034     14.40386040     -1.17389434
  H      2.13177988     10.00777555     -3.76560283
  O      4.86335732      9.92070878     -1.86896936
  H     -3.19854469     13.92827441      1.00047056
  H      2.38842120      8.60297407     -3.18957742
  O     -0.47349415      9.28983328     -1.78491426
  H     -3.89602369     13.07426789     -0.06945451
  H      1.16682444     11.82417197     -3.04778473
  O     -0.02380473     12.75183934     -0.20305618
  H      4.31523814     11.29690528     -0.77248003
  H      0.25709932     10.55420521     -2.89867043
  O      1.15057378     15.50619810     -1.64491519
  H      3.24302526     11.36346012      0.34323311
  H     -0.82979922     12.17363033     -3.89200358
  O      2.20235225     10.34856440      1.48063489
  H      2.94048710      8.89526394      0.54881754
  H     -1.82811083     12.85788119     -4.85206493
  O     -4.46394862     11.28820539     -0.25773539
  H      3.94034810      8.76389244     -0.61960558
  H      1.66879543     16.68105010      1.60834693
  O      1.54966989      7.35503412     -1.99211390
  H      4.17359981      9.77298260     -2.54074857
  H      1.14657936     15.22757104      1.62359521
  O     -2.89534214     10.61722980     -2.34840313
  H      5.70053782      9.75360590     -2.29322026
  H      2.76596322     12.31897757      4.34042809
  O      2.82870863      9.36533883     -3.58638299
  H      0.12356032      8.53765425     -1.87539563
  H      2.97453725     12.93436647      2.93246486
  O      0.61666771     11.18990258     -3.53532302
  H     -0.48595481      9.52878027     -0.84660692
  H     -2.75680957     14.07735678      3.56494036
  O     -1.66606352     12.66832870     -3.93111352
  H     -0.67047652     13.30592005     -0.65927637
  H     -1.52685577     13.73642669      2.69476402
  O      1.73955530     15.84042838      1.16099393
  H      0.75852406     12.75014941     -0.76845333
  H      1.88672930     13.91092612     -1.98599205
  O      2.38229292     12.37584001      3.46959307
  H      1.33596413     15.71532186     -0.72167909
  H      2.77561703     12.71208985     -1.45332200
  O     -2.48855322     13.62793951      2.76709534
  H      0.20187340     15.32485818     -1.69990286
  H      3.95719291     13.31395422      1.00474035
  O      2.05238434     12.95740870     -2.04396942
  H      2.26626573     10.90710220      2.26369407
  H      3.25942912     14.63214156      1.43985789
  O      3.80768353     13.90492600      1.75630435
  H      1.25843643     10.23379869      1.29535092
  H     -2.76106758     11.73940405      2.38982876
  O     -2.84080518     10.84580460      2.03619411
  H     -3.91836737     11.01476303     -1.01680653
  H     -3.45497294     10.91686717      1.29307537
          69
 Energy    -249.54148030001164     
  O     -2.86076374     -2.53182162      1.06420084
  H     -1.94249214     -2.79523200      0.92903680
  H     -3.78858179      2.30873070     -2.02531246
  O     -1.07370815      3.30133532     -3.07961316
  H     -3.23296880     -2.44328571      0.17819020
  H     -0.44176926     -2.22047677     -1.16230150
  O     -3.24702317      0.64517503     -1.28497216
  H     -0.83095411      2.42730979     -2.72985818
  H     -1.72660042     -2.05191910     -1.98885536
  O      1.09886307      0.04452858      4.77729524
  H     -0.74032213      3.33970930     -3.97277698
  H     -1.26081672      2.74755136      4.17716421
  O      1.27705638      5.42752203      1.22307020
  H     -2.29795713      0.73793563     -1.44777199
  H     -0.95218407      3.27447793      2.74577644
  O     -1.03905942      2.89914040      0.98405009
  H     -3.42214622      1.01238291     -0.40712770
  H     -3.31655474      5.53393655      0.49139165
  O     -1.61496136      1.11091072      4.85183884
  H      1.61377966     -0.24714698      5.52407883
  H     -2.15313481      6.13243054      1.33826273
  O     -3.63141147     -2.03043279     -1.63815727
  H      1.40427185      0.94382095      4.55607287
  H     -4.14540960      2.69392577      0.96555045
  O     -2.56444692     -0.24087553      2.56309055
  H      0.79873207      5.34382391      0.38466454
  H     -2.66885940      2.28048723      1.10053365
  O      0.16800332     -0.62534240      2.24493252
  H      0.62761735      5.75924351      1.85228935
  H     -1.04154417      6.73810211      3.62815525
  O      1.73217593      2.55305033      4.03051012
  H     -0.33089414      2.26841023      0.80403564
  H     -1.02103112      5.22582357      3.31425091
  O     -3.81336220      3.25567003     -2.21695222
  H     -0.89445139      3.64782677      0.39199733
  H      0.12235314      1.00886509     -1.17831575
  O     -0.78258179     -1.85142598     -1.98703805
  H     -2.06809615      0.58218818      4.18087213
  H     -0.51667080     -0.08706095     -2.07188418
  O     -0.90816559      3.50346269      3.68613905
  H     -0.76438587      0.67938341      4.99173265
  H     -5.64086337      4.62186512      0.01474620
  O     -2.53433316      6.09672716      0.45188033
  H     -4.37979275     -2.23126985     -2.19360832
  H     -4.44824182      4.00025971     -0.74829567
  O     -3.57658399      1.93673747      1.14450907
  H     -3.60053613     -1.06202226     -1.54619363
  H      0.87151230      0.54671245      1.04696149
  O     -1.00851889      6.11042308      2.91042402
  H     -2.79805259     -1.06351882      2.10822351
  H      1.73544640      1.81757766      0.71939207
  O     -0.49262268      0.86860187     -1.91095534
  H     -3.04185653      0.47845415      2.13005488
  H      0.56496743     -3.52605127      0.86217746
  O     -4.75216015      4.29489533      0.12934169
  H      0.55998132     -0.49388060      3.11767382
  H      0.13212930     -2.08180040      1.19928714
  O      1.06291488      1.21604884      0.37434410
  H     -0.78032031     -0.44487897      2.33321542
  H      2.25648239      4.01089352      1.38356851
  O     -0.02866093     -2.82745886      0.59796848
  H      2.18639705      2.76215082      3.20635387
  H      3.66996171      3.39743785      1.25542144
  O      2.76355033      3.18177199      1.45844736
  H      0.87248447      2.99266887      3.98036734
  H     -0.67126941      4.49118677     -1.68677950
  O     -0.46437571      4.94208039     -0.86153766
  H     -2.94892031      3.44482411     -2.59919805
  H     -1.24162638      5.44712118     -0.57067933
          69
 Energy    -249.54140533406419     
  O     11.98519687      2.60239181    -12.35219627
  H     11.55885571      1.74989225    -12.30324391
  H     17.86535435      8.08631011    -17.17815004
  O     18.27563258      4.97688345    -11.86187538
  H     12.11482311      2.89630971    -11.43247603
  H     17.39551412      6.78455721    -15.00693569
  O     14.53345440      8.29996510    -11.36090237
  H     17.83616535      4.12666357    -11.74477355
  H     17.21733380      7.13908435    -13.51247235
  O     14.02057636     10.33491695    -15.32213308
  H     18.03497207      5.30600568    -12.73727674
  H     10.67416482      6.31223529    -12.88014989
  O     18.26832401      7.11595715    -10.21224079
  H     14.27340158      8.42187443    -10.44093021
  H     11.22591533      7.74485016    -12.74340169
  O     15.14870521      3.85620393     -9.62410538
  H     14.55115153      7.33837741    -11.50160818
  H     14.55766577      5.26836846    -12.53578276
  O     16.90225125      2.52128491    -11.38121732
  H     14.11610244      9.59365464    -15.94809444
  H     14.68465897      4.97435184    -11.00876918
  O     12.75324005      8.64632657    -13.46037696
  H     13.68953745     11.07681415    -15.82171142
  H     13.85899130      2.37751266    -12.82042591
  O     14.37577483      8.12015500    -16.85371849
  H     19.11900214      7.20397360     -9.78976952
  H     14.91986257      3.14677873    -13.62679901
  O     12.39503661      3.44763271     -9.82050560
  H     18.30860355      6.30721600    -10.75553517
  H     13.02547017      7.31696949     -9.11756999
  O     16.82254335      9.93246243    -14.77460131
  H     15.84511544      3.35926624    -10.06883080
  H     13.24927664      8.33997904     -7.98032281
  O     17.22375530      7.88218050    -16.50300287
  H     15.54656384      4.61133558     -9.16294121
  H     17.60194737      8.19907846    -11.59676236
  O     17.32088133      6.39752264    -14.12592432
  H     17.35141062      1.68224548    -11.32164504
  H     16.16779611      8.58124103    -12.00234135
  O     10.62636924      7.10622966    -12.33471833
  H     16.15661521      2.39770493    -11.99587243
  H     16.76461830      6.62889168     -9.11687255
  O     14.33569969      5.59871754    -11.65831159
  H     13.35078796      8.60520431    -12.70044411
  H     15.32612713      6.85715764     -8.57916302
  O     14.78942143      2.36568752    -13.06777276
  H     13.09729625      9.33235816    -14.04561170
  H     12.80921276      5.94095491    -10.71997299
  O     13.68246427      7.90962177     -8.71272224
  H     13.89025035      7.41141681    -16.41135387
  H     11.41513275      6.58467444    -10.78598423
  O     17.07995575      8.55339550    -12.32711288
  H     15.31168819      7.88714726    -16.82273242
  H     15.88031473      5.34472186    -14.25700731
  O     16.05227221      6.22366688     -8.60759456
  H     12.08867307      4.36054968     -9.74671576
  H     14.37051926      5.36168183    -14.65486499
  O     12.06470571      6.22403242    -10.16646177
  H     13.34373678      3.47190729     -9.62782495
  H     11.38730886      3.99045341    -13.39103642
  O     15.06413881      4.82627047    -14.24684412
  H     16.96977186      9.60032361    -13.87863347
  H     10.26555005      4.34004391    -14.38914922
  O     11.02757280      4.70280915    -13.94185709
  H     15.89337951     10.18592656    -14.83213785
  H     12.27174132      5.79047667    -14.82842389
  O     12.96976349      6.39769086    -15.10242652
  H     17.14705140      8.67285192    -15.93697107
  H     12.90456885      7.16831446    -14.51871182
          69
 Energy    -249.54126290314008     
  O     16.39450304      8.53799884    -15.57398635
  H     16.06362093      7.70759320    -15.90575027
  H     19.04540296      9.82407836    -17.10923359
  O     18.48588439     14.66654233    -17.51366273
  H     17.03071725      8.87029791    -16.23288193
  H     16.88901886     12.55825672     -8.81086965
  O     21.71378689      9.95010007    -13.79172028
  H     19.33899939     14.20398567    -17.41446677
  H     17.41583186     13.24918094    -10.08572291
  O     17.92322400     14.67667118    -11.06636281
  H     18.52058624     15.13522553    -18.34318483
  H     20.04463652     16.71701885    -12.19684974
  O     14.38705824     12.50751385    -13.38143988
  H     21.60075228     10.88426699    -13.56569470
  H     18.87479288     16.64394996    -13.19578750
  O     19.85462509     11.26264920    -10.02003409
  H     21.20657672      9.47989889    -13.12069328
  H     19.67086085     14.12226569    -10.83270672
  O     15.87588577     10.79256199    -11.65349780
  H     17.49986941     14.33564051    -11.86827515
  H     20.48716500     12.89489375    -10.36204253
  O     20.48551236     10.67355129    -16.16011944
  H     18.25191242     15.55366284    -11.31110013
  H     16.92650795      9.80218051    -12.62449022
  O     21.22200461     14.92135615    -14.62779540
  H     14.52213890     11.96281123    -14.17885755
  H     17.15118124      8.98361585    -13.95124918
  O     20.82911737     12.56690883    -13.25351069
  H     13.47173045     12.77289511    -13.37878011
  H     20.85422274     12.44995525    -16.79568009
  O     14.96906504     11.04678196    -15.56498183
  H     19.89645932     10.47975241    -10.58189190
  H     21.18190786     13.87137952    -16.25242169
  O     18.11225853      9.69884478    -17.32348746
  H     18.92039903     11.46082073     -9.88367620
  H     22.57221138     16.24773212    -11.56384738
  O     17.19791474     12.38607413     -9.69782398
  H     16.27147863     11.32791811    -10.95475494
  H     21.49189847     15.14535019    -11.49859352
  O     19.09325210     16.85387699    -12.27885120
  H     15.28690876     11.37413298    -12.14926280
  H     18.41490280     15.43214789    -15.77655109
  O     20.57196303     13.77951831    -10.74984843
  H     21.05733943     10.27232485    -15.48992416
  H     17.86374576     15.04601911    -14.38550838
  O     17.59415841      9.38475346    -13.19369463
  H     19.73300094     11.00818918    -15.65555812
  H     19.07052501      9.03691618    -12.27162670
  O     20.80991560     13.39166006    -17.00313377
  H     20.29560594     15.19821703    -14.69558869
  H     19.90942357      8.08188641    -11.39465353
  O     21.81573499     15.89507735    -12.02585137
  H     21.57874306     15.35230408    -13.84125433
  H     18.19187991     10.90141459    -13.94783832
  O     18.50789812     15.61234167    -14.83261372
  H     20.75948454     12.88823537    -12.34695219
  H     19.31273044     12.00626259    -13.92665050
  O     19.89146026      8.96500272    -11.75673931
  H     21.04783592     13.33298391    -13.80050768
  H     17.48620777     13.13263218    -17.12128386
  O     18.48828346     11.72747364    -14.35437769
  H     15.30990760     10.14560091    -15.54481437
  H     17.61410931     12.14931745    -15.93699946
  O     17.14908198     12.29951643    -16.77291390
  H     15.59143239     11.55113611    -16.10762234
  H     17.41160451     13.03453130    -13.71152674
  O     16.86960603     13.79219511    -13.45087799
  H     17.74419718     10.59051660    -17.38725365
  H     15.95512833     13.48469543    -13.43635526
          69
 Energy    -249.54076806706752     
  O     15.13028796      8.73405552     -9.60138479
  H     14.89586354      8.70799878     -8.67775622
  H     18.21251048      7.38718152    -17.50977130
  O     16.04738561      4.93632920    -13.58227282
  H     15.46448809      7.84878491     -9.83463320
  H     15.96580603     11.70884415    -15.28731966
  O     15.95321731     12.57937415    -11.95490664
  H     15.33311137      4.70764033    -12.97399598
  H     15.33170169     10.43105206    -15.87971606
  O     17.53483880     11.99362354    -14.33247029
  H     16.86071746      5.00378608    -13.06461813
  H     15.00940948      8.09345878    -13.05487768
  O     11.81043859      8.42067579    -13.87280982
  H     15.07653002     12.32753837    -12.27194147
  H     15.75617413      6.82498140    -13.60669652
  O     12.40545255      5.66901308    -13.79778360
  H     16.51588705     12.57086373    -12.73836130
  H     15.24544553      5.77103406    -10.83607419
  O     13.66712695     11.46702586    -13.23040631
  H     18.39149146     12.37448038    -14.50713311
  H     16.75424723      6.11860262    -10.91905473
  O     12.49860322     10.95870602    -16.64833362
  H     17.69210123     11.10709908    -13.96320888
  H     18.59045787      6.17007928    -12.75254250
  O     15.81323790      5.05650859    -16.32467402
  H     11.37435968      9.27382771    -13.98354110
  H     19.01821072      5.16334090    -11.66142071
  O     15.50242104      8.65866655    -16.22192967
  H     12.46976404      8.54907257    -13.17409978
  H     13.47443074      4.01730210    -11.35684958
  O     13.13701073      5.35197660    -16.56439728
  H     12.04376181      6.56433521    -13.78841834
  H     13.34008730      5.08836266    -12.46268612
  O     17.75360269      7.15966832    -16.70438599
  H     12.63228942      5.48275923    -14.71654903
  H     17.71016587      9.80196089    -12.24692292
  O     15.13506840     11.34117667    -15.61460851
  H     14.17027630     11.42118990    -14.05684169
  H     17.07936757      8.91028384    -13.34862107
  O     15.68630574      7.78323260    -13.67129833
  H     12.73615955     11.49023269    -13.48018533
  H     18.67255342      7.12535777    -14.97500978
  O     15.94367049      6.29885947    -10.42909397
  H     12.55209721     10.00864728    -16.81826149
  H     18.81045350      8.08836545    -13.77653923
  O     18.25697421      5.59274271    -12.04259338
  H     13.39775445     11.24543695    -16.44138008
  H     12.47406001      8.23537908    -15.59923890
  O     13.93870066      4.73490291    -11.77978709
  H     15.92608898      4.89862424    -15.37536855
  H     12.83155889      7.18395255    -16.67141315
  O     17.80817365      9.52121998    -13.17072809
  H     16.51442129      5.67010335    -16.56747263
  H     16.52432956      9.89238893    -10.23086781
  O     19.04210272      7.20149573    -14.08787463
  H     15.57326519      8.34721223    -15.30425570
  H     16.74520272     11.22934099    -10.97915033
  O     12.79283843      8.13485923    -16.50815317
  H     14.59365322      8.46637738    -16.48686098
  H     11.49775956     11.13427573    -15.22239509
  O     17.19057858     10.42098838    -10.68346282
  H     12.80208765      4.66689818    -17.13684437
  H     10.28035067     11.65713122    -14.42068249
  O     11.06767544     11.12499732    -14.34781807
  H     14.10399446      5.24022642    -16.53018831
  H     14.16649208      8.95438634    -11.15240627
  O     13.80728945      8.97749043    -12.04734516
  H     16.99400854      7.76277042    -16.63832301
  H     13.83483999      9.89460046    -12.35964465
          69
 Energy    -249.54061720638779     
  O     11.99139050     12.55764259    -13.12494632
  H     11.47921880     11.98882361    -13.72992613
  H     17.77856005      6.40757397    -13.12414745
  O     19.24464268      9.23280549    -12.68973398
  H     11.41969628     13.27764928    -12.87304438
  H     12.05181663     11.54748708    -17.48638867
  O     15.61418899     10.09206870    -12.04198588
  H     19.14075592      9.04511393    -13.63051131
  H     10.68334951     11.28503491    -18.16162187
  O     10.70921669     10.82207934    -14.73620124
  H     18.85989792     10.10389641    -12.53580728
  H     15.84660747      9.93663802    -15.32347455
  O     13.52809633      7.72284390    -15.40628456
  H     15.47835895      9.97860526    -12.99674527
  H     14.57020116      9.10241535    -14.98398024
  O     14.62058127      6.19421423    -13.40246312
  H     15.71168754      9.20760511    -11.66401671
  H     13.83446130     12.58305401    -16.51446648
  O     18.43904800      6.98550166    -11.40828398
  H     10.85715683     10.81289281    -15.69010714
  H     14.23002917     11.87834618    -17.83322556
  O     14.34474287     12.51294124    -14.72115649
  H     10.86604449      9.92548475    -14.41433922
  H     14.02368670      7.71555264    -10.32406079
  O     18.74776357      8.29182986    -15.35891939
  H     13.36137811      8.00043160    -16.31896123
  H     12.88252219      8.73270469    -10.53185328
  O     15.70114566      7.47920432    -11.14871650
  H     12.77540368      7.99072797    -14.85974546
  H     17.48906817     12.32878549    -13.94201617
  O     15.40633353     10.53455785    -18.50732225
  H     14.32345549      6.67327629    -14.19114878
  H     16.25433651     12.73475487    -14.77453558
  O     17.40594661      6.35130604    -14.01301483
  H     13.81107583      5.93851686    -12.94418608
  H     17.01440658     11.15636790    -12.04854822
  O     11.28238459     10.94923069    -17.49994143
  H     18.77183624      7.81457722    -11.79736189
  H     17.93774604     12.23457687    -11.43169898
  O     15.11750895      9.84420000    -14.69819858
  H     19.15251151      6.61201822    -10.89860459
  H     13.81268671     10.30299183    -11.76703695
  O     13.54708641     12.42353301    -17.42333243
  H     13.58688495     12.65625383    -14.14274999
  H     12.52263307     11.10877368    -12.04817677
  O     13.07233171      7.84434425    -10.20387541
  H     14.51315452     11.55825851    -14.71484545
  H     17.34671697     11.15589167    -15.95702674
  O     17.19655757     12.52855412    -14.83949885
  H     18.21080942      7.58758620    -14.95361310
  H     17.81599596      9.66182970    -16.13652035
  O     17.83613973     11.65942459    -12.18602933
  H     19.46636499      7.85648886    -15.81175866
  H     12.07738952      9.06601606    -12.88794079
  O     12.84793857     10.26820843    -11.70393433
  H     15.36053061      7.04338921    -11.94412590
  H     11.62465664      7.59793025    -13.05677833
  O     17.21860265     10.34217740    -16.47146217
  H     16.63896130      7.25940247    -11.08818016
  H     12.39585615      6.64240325    -11.28469684
  O     11.64588586      8.45334265    -13.50195153
  H     15.85090011     10.60680442    -19.34845912
  H     11.55449436      5.39126127    -11.63681341
  O     12.11344755      6.06382930    -12.01617484
  H     16.10123167     10.45076813    -17.83323785
  H     12.44731636      9.47388388    -17.79248299
  O     13.16778797      8.83470444    -17.86166192
  H     16.46691069      6.16379694    -13.89640379
  H     13.94094179      9.33912183    -18.14258628
          69
 Ord_Energy   -249.540604    
 O    3.31909585       7.23975229       4.69220638    
 H    3.90305424       6.48298979       4.56022453    
 H    3.50247049       7.84077406       3.95941854    
 O    1.63507521       1.15629280       2.04541183    
 H    1.04478836      0.910269082       2.76853752    
 H    2.15647483       1.89955795       2.37465978    
 O    4.99290419       5.04684877       3.86752343    
 H    5.89436054       4.83944845       4.09833622    
 H    5.01302767       5.45072556       2.98073936    
 O   0.105122618       1.42074442     -0.192989036    
 H   0.399223059      0.830988228     -0.881850958    
 H   0.715466619       1.30276263      0.557250082    
 O  -0.315470308       4.16976309      0.144795656    
 H  -0.206524804       3.25304937     -0.136458352    
 H  -0.727730632       4.13138819       1.02040577    
 O   -1.08583701       6.94199800      0.402970165    
 H   -1.85468996       6.90142012      0.986949265    
 H  -0.918650627       6.04064083      0.100242697    
 O   -1.49887478       4.26616335       2.67497945    
 H   -1.93317926       5.12787580       2.63126135    
 H   -2.18263650       3.61117053       2.86335063    
 O    4.73279238       6.23388481       1.43370330    
 H    3.95478797       5.80623388       1.05151725    
 H    4.46660471       7.14606285       1.60751522    
 O  -0.368273824       1.07903731       4.06967068    
 H   -4.34650518E-02   1.95801365       4.30101442    
 H   -1.12536573      0.926817477       4.64917803    
 O   -3.28241849       5.56223679       5.90517807    
 H   -2.83256364       6.37516546       5.64604950    
 H   -3.90753293       5.36646080       5.19803238    
 O    1.05868614       7.59038830       1.96079350    
 H   0.288774699       7.47900295       1.38290739    
 H   0.824403226       7.27700567       2.84371305    
 O   -2.72681403       1.23968732       5.63686180    
 H   -2.33966517       2.02947068       6.05957603    
 H   -3.10502601      0.707770467       6.33097839    
 O   -1.57750106       3.48459530       6.53425169    
 H  -0.784614801       3.66920567       6.01863098    
 H   -2.17772889       4.23335171       6.39638233    
 O   -4.89965105       4.91942596       3.58259344    
 H   -5.84830523       4.84461117       3.51643658    
 H   -4.53840256       4.02859926       3.43633509    
 O    2.13718867       5.20085239      0.944269359    
 H    1.36905396       4.79049778      0.525941908    
 H    1.82226920       6.04604912       1.29266524    
 O   -1.82974148       7.79890299       4.84892797    
 H   -1.78008533       8.67898560       5.21351194    
 H  -0.922585011       7.44966555       4.83390188    
 O   -2.00867295       1.01248848       1.71343446    
 H   -1.41264701      0.950673044       2.47242880    
 H   -1.43528461       1.11426783      0.946404755    
 O    2.74375939       3.55608273       3.07511449    
 H    2.52872205       4.10603237       2.30602074    
 H    3.55459523       3.91859555       3.45032024    
 O    3.53637481       8.70311642       2.22315049    
 H    3.59198141       9.61319923       1.94425201    
 H    2.62265038       8.41311836       2.05454659    
 O   0.652182341       6.67637587       4.60992050    
 H   0.590127647       5.71702766       4.68124533    
 H    1.58059025       6.91199350       4.76350069    
 O   -2.93888259       6.65445232       2.52583957    
 H   -3.72680163       6.17183352       2.80836964    
 H   -2.62155819       7.15771484       3.28802538    
 O   0.433911800       3.84215069       4.52713871    
 H  -0.234622821       4.00246239       3.83944106    
 H    1.29009533       3.72486615       4.08989954    
 O   -3.63479114       2.50150132       3.27956080    
 H   -3.24975991       1.93649721       2.59102321    
 H   -3.44001675       2.07147765       4.12284565    
          69
 Energy    -249.54030517929874     
  O     14.87882134     12.77591839    -11.58609111
  H     15.56271672     12.15558557    -11.30264016
  H     12.76909126      7.15594902    -14.48222935
  O     16.91650391      9.23044132     -7.29810773
  H     14.24820348     12.79313899    -10.85736793
  H     12.41615136     11.74340239    -10.23869593
  O     16.61134709      6.58611544    -11.73044612
  H     16.86082523      8.26707956     -7.29252322
  H     12.25024998     12.81119488     -9.13351308
  O     13.61595590      4.52752449    -11.42036712
  H     16.05510780      9.56126577     -7.58613257
  H     15.29599829     10.07536764    -15.71384701
  O     18.62664726      7.07965687     -9.79899828
  H     16.25729470      6.04362241    -12.44659499
  H     15.24827988      9.58079025    -14.25003608
  O     17.11001986      6.38208665     -7.65672285
  H     16.04501061      6.42778593    -10.96053697
  H     18.15962000      9.69085459     -8.42926125
  O     16.45902328     10.66526546    -10.56700265
  H     14.11194119      4.91681668    -10.68792067
  H     19.50068854     10.35948552     -8.82445813
  O     10.43199360      7.23695273     -9.76452138
  H     14.13921285      4.67799276    -12.21630677
  H     15.67388641      6.03882525     -8.77906848
  O     14.55302156     10.13900033     -8.56179671
  H     18.08577675      6.92258183    -10.58411145
  H     14.31764407      6.62594918     -9.26374644
  O     13.39208653      8.53787013    -11.75533098
  H     18.76231397      8.03315024     -9.73413393
  H     12.17697695     11.30409731    -12.43480918
  O     10.98251096      5.04538204    -11.53970444
  H     17.72750821      6.57047660     -8.38721223
  H     12.40654003     10.02736073    -11.60853296
  O     13.65706792      7.12653702    -14.86348126
  H     17.55659467      5.78377217     -7.06361316
  H     10.73862883      7.87407705    -12.94217135
  O     12.87994176     12.20979934     -9.52337698
  H     17.32567152     10.49353712    -10.17948853
  H     11.21247750      6.41668160    -12.74801522
  O     14.69806535      9.79916536    -15.02268576
  H     15.80306528     10.44763168     -9.88952298
  H      8.88518742      9.51879059    -12.11357464
  O     18.75792374      9.87686227     -9.17690695
  H     10.56157034      6.42972513    -10.27909408
  H     10.37310363      9.80856607    -11.81296208
  O     15.02484231      6.00594046     -9.49209102
  H     10.09195667      7.88646857    -10.39066183
  H     15.46028352      4.58700685    -14.39161325
  O     11.84003466     10.81115931    -11.67008318
  H     13.99618894      9.35190089     -8.64809314
  H     14.66072136      5.89040447    -14.16064158
  O     11.38356145      7.22537872    -13.25017018
  H     13.98757145     10.89953321     -8.74466966
  H     13.89083147     12.30797673    -13.07605110
  O      9.71613050      9.09843493    -11.90702967
  H     14.25391934      8.67678523    -12.16372113
  H     13.67973538     11.27109273    -14.21066061
  O     15.19313713      5.20621755    -13.71736706
  H     12.84767921      8.00062920    -12.34413724
  H     12.10679040      7.66070269     -9.13528540
  O     13.23317569     11.94892508    -13.69199813
  H     10.49700164      4.22680739    -11.59341597
  H     13.22875802      8.11462448    -10.07985814
  O     13.04328452      7.89772552     -9.15094593
  H     11.92445689      4.80855252    -11.45952739
  H     16.29317118      8.20181178    -12.44428886
  O     15.96827497      9.06673532    -12.72955848
  H     13.92451245      8.03983731    -15.01940422
  H     16.17996447      9.69404692    -12.02340589
          69
 Energy    -249.54015651322976     
  O     13.06203601      9.29030698    -17.02505348
  H     12.33149434      9.64911444    -17.52175655
  H     19.86902763      7.05709790    -15.08325107
  O     16.17577328      6.82835471    -12.04470581
  H     12.90946631      9.52829782    -16.09217401
  H     18.33271581      8.33698087    -17.24809020
  O     18.90834281     10.19798407    -13.87243196
  H     17.10291041      7.10375528    -12.11431846
  H     16.98600276      8.90134482    -17.77547989
  O     19.79843482      8.72435510    -16.03308181
  H     16.10617875      5.90696697    -12.32024329
  H     15.20325977      7.46902838    -15.19139500
  O     13.30740789      5.64949462    -13.96680941
  H     19.10295890     10.81369528    -13.15608977
  H     15.85473742      7.49679651    -13.76410821
  O     16.40955348     12.18734470    -11.00905039
  H     18.01464020     10.40022098    -14.19109422
  H     12.41899904      9.09680372    -13.81178595
  O     14.36916467      8.63656320    -11.13723941
  H     19.54061278      9.29485039    -15.29043589
  H     13.25563424     10.38860413    -13.88094657
  O     16.35191850     10.47697052    -14.74767018
  H     20.56308897      9.13284714    -16.43325387
  H     18.80110279      8.74169254    -10.77262255
  O     17.21413882      5.42397337    -15.46887970
  H     14.07269091      5.11672700    -13.72628160
  H     17.84670379      9.48768875     -9.80156251
  O     16.03278565      9.87265740     -9.31731368
  H     13.44735187      5.92595418    -14.88402703
  H     12.54990357      6.90998443    -13.04172589
  O     15.82617550      4.35107558    -13.35086241
  H     16.30670517     11.50851393    -10.33002860
  H     11.27515765      7.39955154    -12.31552747
  O     19.73058222      6.30104769    -14.49767772
  H     17.34225590     12.16940173    -11.25253579
  H     18.72397360      8.62720726    -12.87722870
  O     17.59264937      8.14732395    -17.83341337
  H     13.52373090      8.33422577    -11.49018704
  H     19.16570903      7.15784329    -12.99651598
  O     15.96238868      7.78021775    -14.68061963
  H     15.02214806      7.96674001    -11.39567661
  H     19.13152113     10.94362398    -10.97106496
  O     12.67952187      9.81405676    -14.40133547
  H     16.23132213      9.51454637    -14.79998667
  H     19.92252966     12.25968560    -11.16995406
  O     18.75463974      9.46029156    -10.12815188
  H     15.73762078     10.78459130    -14.06951806
  H     16.25306014      5.53693673    -18.92159856
  O     12.15651289      7.66364732    -12.56641728
  H     16.95571669      6.32253805    -15.20935899
  H     16.71501919      6.70689661    -18.01653566
  O     18.72264212      7.78299307    -12.40542322
  H     16.95135704      5.34793648    -16.39357716
  H     14.50311267     10.19176389    -12.17833032
  O     19.22211985     11.72943749    -11.54059960
  H     15.68263159      9.84848701     -8.42985521
  H     15.14179823     11.59358054    -12.15967118
  O     16.18221902      5.88816361    -18.03898515
  H     15.37964125      9.43146630     -9.88430412
  H     14.84113260      9.93473574    -17.41857935
  O     14.57267750     11.01219814    -12.68469125
  H     16.34263286      4.61135425    -14.13230230
  H     15.99516718     10.49763761    -16.57866442
  O     15.76877849     10.19197467    -17.46791128
  H     16.05517907      3.44555448    -13.15775068
  H     14.66542852      6.42821239    -17.06363160
  O     14.01375399      6.74129221    -16.42337400
  H     18.98260787      5.82233430    -14.87608076
  H     13.64237952      7.57176359    -16.75109467
          69
 Energy    -249.53963495906561     
  O     18.11547950      9.04776015    -10.82000810
  H     17.76801342      8.25325413    -10.39544113
  H     17.77627450     12.54283670    -11.11150654
  O     14.05691977      9.49155062    -10.87275209
  H     17.40343907      9.45346967    -11.33090615
  H     19.41287404     10.13600043     -8.07676754
  O     18.30093606      3.72357638    -11.39594542
  H     14.53446507      9.82968986    -10.09215510
  H     18.90741359     10.05300793     -9.55186314
  O     21.33859131      6.87462159    -11.78108265
  H     13.15894088      9.80233112    -10.79776400
  H     20.24174145      9.91897171    -12.95114165
  O     15.47382716     10.49390270     -8.84337182
  H     18.20461452      2.77606452    -11.45963022
  H     19.32490711      8.98792751    -12.12397312
  O     22.89325814      8.35261440     -9.94214277
  H     17.40919618      4.08860364    -11.28454819
  H     19.29325442      4.59921483    -12.81927526
  O     16.82930413      8.57797638     -7.37847042
  H     22.00081616      7.27957221    -11.20785642
  H     20.47738999      5.57519763    -12.95907925
  O     21.09448654      7.25821498     -8.01106320
  H     20.90025084      7.61309830    -12.22945167
  H     15.39459324     10.10753209    -12.00149938
  O     19.56897932      9.00952462     -6.63661949
  H     16.06639710     11.24394714     -8.95606754
  H     16.15660489      9.61278825    -13.25579304
  O     17.36784708      6.75431034     -9.43902710
  H     15.92614555      9.85969137     -8.26687724
  H     15.61292412      8.20059864    -15.30341207
  O     17.44850187     12.57630263     -9.23093157
  H     23.83353728      8.47342572     -9.84093332
  H     16.87005303      7.82179956    -14.48455149
  O     17.99371313     12.33967801    -12.02901612
  H     22.51259710      9.23572648    -10.09835447
  H     21.45389904     11.15749628    -11.15583587
  O     19.32816636     10.63440638     -8.89890730
  H     16.94666129      7.86742650     -8.02397606
  H     20.95182237     10.80129372     -9.74895845
  O     19.94988525      9.00501081    -12.86560183
  H     17.70310279      8.71926201     -6.99735568
  H     15.19231076      7.35383491    -12.93197767
  O     19.80755071      5.09712596    -13.46449016
  H     21.76227359      7.63452633     -8.59785017
  H     14.52324700      7.81246799    -11.61718821
  O     16.20047865     10.23585854    -12.51882673
  H     20.67211319      6.54871529     -8.51148587
  H     19.01982329      7.97777553    -14.07384186
  O     15.96422672      8.17769334    -14.41793315
  H     19.92311878      9.10941998     -5.75736678
  H     18.87036061      6.46143366    -14.27516050
  O     21.73400648     10.77333975    -10.31711665
  H     20.11983652      8.34283808     -7.08553978
  H     20.84625732     12.38920344    -13.37464627
  O     14.83109048      7.03320742    -12.09585633
  H     18.25040466      6.36143901     -9.49985689
  H     19.64250866     12.00472694    -12.48448548
  O     18.47939716      7.31097373    -14.51852061
  H     16.75961191      6.13516980     -9.85570374
  H     15.43674479      5.61345214    -11.38386786
  O     20.55035840     11.75135886    -12.73104076
  H     17.56661299     13.32358529     -8.64992510
  H     15.05602294      4.42795542    -10.46812620
  O     15.79887329      4.85894136    -10.88331352
  H     18.17081762     11.95331585     -9.03747250
  H     19.41314930      4.79672658    -10.29631223
  O     19.82764457      5.55190388     -9.86287990
  H     17.33563973     11.69200076    -12.31546823
  H     20.33330317      6.01722619    -10.54684722
          69
 Energy    -249.53943480480922     
  O      1.33051701     -0.63250968      4.41762346
  H      0.40974265     -0.77448344      4.69802180
  H     -3.31243135     -3.67799422      5.68856669
  O      1.18312893      1.39858351     -2.87473233
  H      1.87426691     -0.79043974      5.18568874
  H      0.97405756      1.10627507      3.70345828
  O     -0.60680234      1.72754989     -0.63095461
  H      1.00080720      0.46927984     -3.06756673
  H      1.14679577      1.83439046      2.34743634
  O      0.77624010     -1.42535240     -2.95366501
  H      0.49594199      1.67584283     -2.25652595
  H     -1.69179562      2.89372656      0.16462018
  O      2.73847528     -1.51259414     -1.05837828
  H     -0.96794892      0.85026556     -0.82302649
  H     -2.39709115      4.26744155      0.16525725
  O     -2.91652140      1.34074433      5.18849582
  H      0.21098732      1.59336775     -0.13120316
  H     -1.60159503     -0.28770183      3.34482589
  O     -4.93571078     -2.92437711      1.17597398
  H      1.46761654     -1.54469123     -2.27819999
  H     -0.84016896      0.79231227      2.56107894
  O      3.50379952      1.23551802     -1.46095137
  H      0.92095183     -2.09470012     -3.61702099
  H     -1.17702687     -1.42078697     -0.47627389
  O     -5.35772679      0.90964134      3.69053603
  H      3.16643830     -0.65373350     -1.16583315
  H     -0.76027445     -1.11781024     -1.93559403
  O     -5.11597028     -1.90705733      3.81319019
  H      2.54591314     -1.60300261     -0.11713748
  H      1.76012863     -1.21228219      2.59774924
  O     -1.71301245      3.28540641      3.54829282
  H     -2.53137041      2.07140240      4.68211243
  H      0.93212746     -1.75790570      1.41493619
  O     -3.01523683     -3.07961270      5.00839563
  H     -3.80070344      1.21010531      4.82986344
  H     -1.87607818     -1.65266663      5.13371103
  O      0.64753984      1.84576631      3.17607611
  H     -4.64115197     -2.21151332      0.58212136
  H     -1.88479304     -0.08626460      5.27634503
  O     -2.31048977      3.45695706      0.66051245
  H     -5.58825359     -3.42703163      0.69562423
  H      2.47419641      1.38425980      0.07989524
  O     -1.49794921      0.09350541      2.46209743
  H      4.23412406      1.70847743     -1.84944588
  H      1.79685277      0.35405529      1.02461021
  O     -1.39967452     -0.88378127     -1.25266612
  H      2.73621262      1.36543563     -2.04682634
  H     -2.58534158     -3.73549547      3.22535810
  O      1.78469796     -1.35569548      1.64483383
  H     -4.88088596      1.08568239      2.86188096
  H     -3.33541354     -3.66670932      1.88119483
  O     -1.33073105     -0.85832215      5.07250583
  H     -6.11498572      1.48957569      3.70202406
  H     -1.29450529     -2.88058742      1.45743472
  O      1.78637945      1.28280014      0.74788813
  H     -5.15262724     -2.21121639      2.89694012
  H     -1.05758812     -1.34940363      1.55304918
  O     -2.48926246     -3.90695302      2.28138333
  H     -5.27468461     -0.95573136      3.80190077
  H     -3.23067265     -0.89534448     -0.82161792
  O     -0.77161466     -2.15375013      1.09170408
  H     -0.80700512      2.94626826      3.51839518
  H     -4.08895639     -0.08797108      0.17529129
  O     -4.08855554     -0.87935776     -0.37903058
  H     -1.95213372      3.44756778      2.62986746
  H     -3.47468660      2.08351621      1.12872274
  O     -3.79846333      1.23655714      1.45783980
  H     -3.81194395     -2.65289887      4.64124647
  H     -3.02226838      0.79104415      1.83359873
          69
 Energy    -249.53922170059514     
  O     -8.05008865     -3.22498868      5.80487975
  H     -8.88692026     -2.74379014      5.80903433
  H     -4.58796775      0.84605303      2.48824248
  O     -8.27825204     -2.32478317      2.00156721
  H     -7.42432746     -2.71324371      6.33040525
  H     -6.63879752     -0.64917429      4.09592969
  O     -7.46277224     -4.53094079      3.52198460
  H     -8.03586693     -1.63339768      2.63935459
  H     -8.02337785      0.01414150      4.42482626
  O     -5.42461341      0.85789027      0.80997166
  H     -8.09710004     -3.16742916      2.43923212
  H     -5.53249383     -1.59470987      6.24561775
  O     -6.93315702      1.00369026      7.19621098
  H     -7.65615521     -4.09840680      4.37417198
  H     -5.36120365     -2.08474671      7.70391791
  O     -5.39463458      5.04120081      2.32401247
  H     -7.69255115     -5.45042488      3.62198810
  H     -2.79037139      3.14626635      2.02859438
  O    -10.49769494     -1.79102682      5.62138219
  H     -5.49389418     -0.07864578      0.59030116
  H     -2.71848662      3.59058585      3.50546311
  O     -4.97403320     -1.33363407      4.63137718
  H     -6.33049569      1.15090511      0.99527919
  H     -9.27330051      3.26708118      3.95449792
  O     -4.01712970      3.24856197      0.52508547
  H     -6.54046043      0.12405301      7.25156885
  H     -9.83713150      2.08370164      4.76330048
  O    -10.76379344     -1.33152958      2.95058303
  H     -6.39832679      1.52128593      6.57907057
  H    -11.47771006      1.75401974      1.46022975
  O     -6.05031259     -1.89104404      0.40935119
  H     -4.94603898      4.50525012      1.65892603
  H    -10.60440543      1.88788502      2.73153123
  O     -4.14783168      0.90833661      3.34489219
  H     -4.81503789      5.04452968      3.09619616
  H     -5.22091613     -2.88175796      1.89892701
  O     -7.46328311     -0.32696527      3.71456349
  H    -11.33732055     -2.04713855      5.99386754
  H     -5.78261446     -3.83234678      2.97839081
  O     -5.99116587     -1.70149043      7.09848192
  H    -10.64478914     -1.64448645      4.66943381
  H     -8.47160809      0.80213758      6.35745336
  O     -2.37326303      2.94401434      2.87601516
  H     -4.52134246     -0.57189121      4.24331621
  H     -9.64987352     -0.13286540      5.87124397
  O    -10.08289667      2.76775975      4.12293660
  H     -4.89550145     -2.07091983      4.00836320
  H     -4.46496837      3.88699575      4.98656023
  O    -10.76511892      1.34075616      1.94004729
  H     -3.78143062      3.42056156     -0.38369111
  H     -3.67222894      5.11930104      5.47355700
  O     -5.00945089     -3.30402749      2.73936666
  H     -4.48551649      2.39879501      0.53290997
  H     -5.15944836      1.90051086      4.53424629
  O     -9.16043159      0.67663370      5.68655586
  H    -10.83119819     -0.43530867      2.59816506
  H     -6.37049355      2.86927500      4.60198896
  O     -3.84707580      4.58157876      4.70539999
  H    -10.04322582     -1.75565383      2.46837242
  H     -8.91485874      1.38920351      1.56216346
  O     -5.64417407      2.49553788      5.12278375
  H     -6.89974232     -2.01690711      0.86454737
  H     -7.75411115      0.80584761      2.40129906
  O     -7.95655771      1.40853485      1.66658180
  H     -6.12795617     -2.32814763     -0.43592666
  H     -6.86686598      4.21910219      2.96497583
  O     -7.50306473      3.60484746      3.35863663
  H     -3.40259865      1.51606614      3.23734952
  H     -7.65895031      2.91113131      2.70364348
          69
 Energy    -249.53842159248666     
  O     12.55365516     10.83691078    -16.18601531
  H     11.91850838     10.52228900    -15.53133467
  H     17.24080522     11.35832035    -15.47664117
  O     15.57634413      6.64355425    -12.94119808
  H     13.05643236     11.55609905    -15.78518017
  H     15.40207417      8.19943287    -13.88589568
  O     16.10973151     10.67204470    -10.75173459
  H     16.14333439      6.99823343    -12.24440704
  H     15.05112626      9.00489151    -15.17889864
  O     17.95695752     10.03637927    -14.35399163
  H     14.66675491      6.68395249    -12.61235173
  H      9.79886751      9.53249956    -14.56349980
  O     13.60701315      6.26324632    -16.62212830
  H     15.62436869     10.65280690     -9.91743425
  H     11.07074482      8.65028483    -14.53341354
  O     12.28771516      9.35890188     -9.25855661
  H     15.50193401     10.96063681    -11.44713053
  H     16.04963991      7.51767266     -9.40885311
  O     12.98927774      7.06020905    -12.04677732
  H     18.30736644     10.15075654    -13.46394876
  H     15.24334031      8.43467417     -8.46918139
  O     14.40896149     11.19392000    -12.85138369
  H     17.05481519      9.69222851    -14.26516999
  H     12.38567323      6.74372487    -15.27687353
  O     12.90743522      6.54784601     -9.29170867
  H     13.43009947      5.56788112    -17.24945808
  H     12.17855096      6.87934700    -13.74545032
  O     17.91013254      8.02524861    -16.37321373
  H     14.51007252      6.11404049    -16.28398086
  H     19.37834203     10.90754743    -11.22333507
  O     16.08603334      6.02557538    -15.63105790
  H     12.13334432      9.57167491    -10.18986602
  H     17.86523689     10.61212529    -11.27504913
  O     16.67848589     11.82895879    -16.10626656
  H     12.32393980      8.39624275     -9.20591992
  H     16.51920049      8.86894929    -10.92942895
  O     15.33677315      9.08639201    -14.26057331
  H     12.89473019      6.75432790    -11.13640143
  H     17.90927847      8.31314871    -11.17327860
  O     10.73651548      9.55558843    -14.39165359
  H     12.77092465      8.00305598    -12.04153451
  H     14.56554145     10.78308433     -7.58247734
  O     15.38558397      7.51022809     -8.70856431
  H     14.35120657     11.90606330    -13.49855120
  H     13.77725120     10.01706295     -8.67239347
  O     11.78045550      7.07598450    -14.60328107
  H     14.71292187     10.41438547    -13.34698470
  H     15.74434060      9.51377631    -17.78542227
  O     18.72596521     10.35238274    -11.64328479
  H     12.67460776      5.81432645     -8.72923763
  H     16.46438691      9.86063815    -19.11014299
  O     17.01122437      8.03468449    -10.97896039
  H     13.81681532      6.80622384     -9.05725681
  H     11.59075486      9.76331646    -12.76583716
  O     14.67062621     10.28218842     -8.38671015
  H     17.58356366      8.58009928    -17.09128586
  H     12.93466526     10.34351443    -12.25854538
  O     16.57333731      9.85923713    -18.16304387
  H     18.14203120      8.64546662    -15.67060604
  H     15.19236091     12.49186054    -15.49039547
  O     12.19814559      9.76541717    -12.01545419
  H     16.76598018      6.65901096    -15.90259133
  H     14.30944561     13.74968264    -15.32334189
  O     14.35483430     12.82056288    -15.11502426
  H     16.02501930      6.07255696    -14.66826313
  H     13.98955866      8.05086569    -16.91166054
  O     14.35091392      8.94479281    -16.91379086
  H     16.67933682     11.28236043    -16.90155610
  H     13.64084139      9.58065670    -16.73416632
          69
 Energy    -249.53808927330314     
  O      3.99337994      3.56706677      5.37604614
  H      3.47564606      3.38436433      4.58064288
  H      4.51188414     -0.18579830     -0.44267098
  O      6.77364199     -1.89527519      5.28449573
  H      4.90856336      3.66326546      5.07936631
  H      2.63710622     -1.56376324      1.54176938
  O      6.59064004      0.48492349      6.77463166
  H      5.85025370     -1.83537077      4.99902145
  H      2.55551180     -0.30155851      0.66973183
  O      8.51364091     -0.35040428      3.77811410
  H      7.09881821     -2.76044199      4.99847198
  H      6.40494414     -1.98069225      0.06823772
  O      6.56245361      3.26706162      4.30049436
  H      6.61676872     -0.41319274      6.41731427
  H      6.34375151     -0.52662591      0.59714963
  O      9.44665863     -2.56444387      2.36257612
  H      5.66310064      0.72813661      6.87385006
  H      4.17484237      2.11203500      0.18023154
  O      3.87604392      1.41259885      7.03078560
  H      8.72211061      0.40455095      4.34061033
  H      3.74489626      2.92714710      1.41622559
  O      0.86893658      0.58447559      3.36270957
  H      7.87661843     -0.88754333      4.27574047
  H      2.64533412      0.21191112      6.18330670
  O      7.19230148      0.67378385      1.55844597
  H      7.35014163      2.88735702      4.70945141
  H      1.65143830     -0.04212525      5.01451223
  O      7.70359545     -4.15804665      4.03115323
  H      6.75775511      3.43497358      3.36965766
  H      2.07093670      1.98245497      3.12387612
  O      5.78031094     -4.92321745      2.05178520
  H     10.39936086     -2.59465026      2.31123180
  H      3.61180979      1.91000011      3.12947267
  O      3.78098960      0.42890105     -0.62593641
  H      9.22127388     -1.74940801      2.83794919
  H      3.46631102     -1.29488082      4.87786796
  O      2.09261554     -0.78831301      1.36170100
  H      3.62236445      1.69310525      7.90738199
  H      4.54931970     -0.57804408      4.03728066
  O      5.82029735     -1.21447376      0.15937984
  H      3.88952532      2.21297966      6.47763472
  H      9.24798851      2.09656671      6.22903763
  O      4.37762783      2.90859520      0.68506018
  H      1.26960032      0.05249531      2.65144473
  H      7.88814460      1.36512445      6.09386660
  O      2.13260055     -0.47181644      5.73273440
  H     -0.07506559      0.54625466      3.23314763
  H      8.21872771     -3.08624447      0.97458100
  O      2.86523587      2.51767496      3.00774174
  H      7.73427647      0.37150271      2.30079925
  H      6.99648242     -4.01720614      0.86620702
  O      4.24889946     -1.45160674      4.33237695
  H      7.26987270      1.63291372      1.48282754
  H      7.26239014      4.16942717      0.96272572
  O      8.59735353      1.81312978      5.59272235
  H      8.38496340     -3.76459496      3.47308708
  H      5.98474183      3.31982255      1.17229316
  O      7.50669083     -3.35622870      0.38142739
  H      7.03826887     -4.50653812      3.42425186
  H      5.56348766      1.68127343      3.95013163
  O      6.89680742      3.46309654      1.48808210
  H      5.12466407     -4.20635297      2.02089454
  H      5.71807764      0.80661321      2.69539966
  O      5.13926923      0.97308297      3.44908708
  H      5.30094852     -5.73807806      1.92573782
  H      4.73108581     -2.16114379      1.33629965
  O      4.16576287     -2.70018060      1.90732320
  H      3.57828546      0.34070100     -1.55454047
  H      4.18708866     -2.31233207      2.79680422
          69
 Energy    -249.53766610492880     
  O     13.19670236      7.72770432    -10.35554060
  H     13.17987779      8.50689328    -10.93402440
  H     16.70005658      5.89871735    -16.29684146
  O     14.66452378      5.47442772    -13.42625570
  H     14.00054713      7.83900007     -9.83735791
  H     16.83379748     10.41360938    -14.97347817
  O     16.39742025     10.72543001    -10.67412512
  H     13.80008580      5.57111012    -13.00619920
  H     17.59573982     11.21338337    -13.89366867
  O     18.70177260     10.73305451    -12.42197153
  H     15.26442144      5.01419301    -12.82333002
  H     15.32285642      7.14727837    -13.12267385
  O     11.64868196     10.96782218    -15.39245478
  H     15.78959102     11.24938039    -11.21024833
  H     14.97436390      8.59307953    -12.64768283
  O     12.12591560      8.37279526    -14.33244468
  H     17.23960149     10.76633802    -11.14146835
  H     12.52987257      6.69167224    -11.57842715
  O     14.86320199     11.97085552    -12.73661552
  H     19.59075623     11.00787990    -12.21314721
  H     11.41672415      5.74030720    -12.07831157
  O     14.94142350     12.36689558    -16.32934253
  H     18.69460678      9.75947232    -12.39456059
  H     16.88042363      5.15861050    -11.16744218
  O     14.98968167      5.59962814    -16.19086764
  H     12.08264406     10.85146424    -16.24755430
  H     16.90445169      3.63114348    -11.40356106
  O     16.57821058      8.70169091    -15.48020379
  H     11.61392596     10.08868841    -14.99601257
  H     17.38843023      8.09627075    -12.43225705
  O     13.98459636      8.23809753    -16.41169612
  H     12.06640504      7.57957889    -13.78888547
  H     18.64545284      7.27847661    -12.79626711
  O     17.62876955      6.19164902    -16.26599299
  H     12.77129000      8.20657982    -15.03595028
  H     18.00116394      5.15947019    -13.15902571
  O     16.89418742     11.28426008    -14.55276926
  H     15.55246122     11.74607926    -13.37826364
  H     18.30886044      5.77837072    -14.54706374
  O     15.68109744      8.03520688    -12.99259449
  H     14.20583767     12.49795475    -13.20792996
  H     17.86757830      7.04754258    -10.74936500
  O     12.19831940      6.20943103    -12.35811940
  H     14.32801446     12.77940892    -15.70820232
  H     16.71797682      7.13782091     -9.73884811
  O     16.68490643      4.46101487    -11.81871511
  H     15.70941947     12.09893590    -15.80972309
  H     13.96801950     11.25518227    -17.26899781
  O     18.34871998      8.05346138    -12.29751289
  H     14.51034718      6.40682879    -16.41757494
  H     13.22978073     10.93561423    -18.59117133
  O     18.64271226      5.68959214    -13.64527451
  H     14.82687902      5.45163428    -15.24790221
  H     15.68117314      8.86664164     -8.23552368
  O     17.32039580      6.51235778    -10.16002618
  H     16.28424427      8.46983367    -14.58394573
  H     15.90431874      9.33045269     -9.68781895
  O     13.32962931     10.64961686    -17.68732792
  H     17.08121061      7.94705426    -15.80796794
  H     12.41911492     12.38016203    -14.69664496
  O     15.65871043      8.56446174     -9.14051526
  H     13.71354445      8.97839655    -16.96828537
  H     12.36084924     13.88843445    -14.35595386
  O     12.95208177     13.14246797    -14.40737136
  H     14.88484145      8.44272344    -16.12040361
  H     12.97841496      9.35262601    -13.04868134
  O     13.48414368      9.63564237    -12.27535831
  H     18.04224687      5.88423292    -17.06824398
  H     13.87741237     10.49766964    -12.45729491
          69
 Energy    -249.53759529064843     
  O     16.58707425      4.72034597    -13.34257371
  H     17.42412547      5.07979686    -13.02734177
  H     18.92484571      6.74145458    -12.03444762
  O     17.47334642     13.46168007    -11.58891285
  H     16.59718563      4.80005990    -14.30738463
  H     16.30621707      8.44964493    -15.56203291
  O     19.30018588      9.03267290    -15.31272872
  H     16.88973225     13.07068237    -10.92497329
  H     16.76968674      7.05137958    -15.11730096
  O     14.34603855      6.72493255    -17.23323969
  H     17.21996551     13.05211144    -12.42550408
  H     13.28285632      9.40927210    -14.43144254
  O     18.33946345     10.41501380     -9.55639466
  H     19.48315028      9.63430322    -14.58109917
  H     13.88636343     10.72952558    -14.97980468
  O     15.86142408      8.04550714    -12.25646356
  H     18.42495798      8.65839727    -15.12448656
  H     18.43104209      8.94223946    -10.58653167
  O     16.81461398     11.64740984    -13.72116567
  H     14.78050533      7.59122784    -17.32944213
  H     17.48415573      8.19173945    -11.56618627
  O     20.04336806      6.35747293    -15.12918339
  H     13.78325693      6.61217347    -17.99486287
  H     13.55626181      7.21932625    -15.52473786
  O     14.23268595      5.81956402    -12.59057576
  H     18.96764061     11.06415761     -9.89618525
  H     13.53767059      6.96808933    -14.00434781
  O     18.88437584      5.73326338    -17.48908733
  H     17.48517559     10.86413446     -9.55012792
  H     20.57093824     13.00949710    -10.79729953
  O     16.52824112      5.42098034    -16.02174937
  H     15.24749286      7.30513086    -12.18824884
  H     19.08025905     12.87054454    -11.19306791
  O     19.08994630      5.88522173    -12.46179064
  H     16.14365590      8.07725526    -13.18458328
  H     19.00622726      9.68258804    -12.42388665
  O     16.75755545      7.97973778    -14.84938931
  H     17.65694236     11.21208822    -13.53454286
  H     19.61774665     11.10619271    -12.34998746
  O     13.36838678     10.35942903    -14.25857167
  H     16.15584936     11.26694093    -13.12252391
  H     15.42182262     11.42440413    -10.58016147
  O     18.41455946      8.31191010    -11.32175495
  H     19.98069242      7.32217896    -15.17847032
  H     15.19614442     12.08832949     -9.20245046
  O     13.27534995      7.59857349    -14.68488403
  H     19.76246021      6.12333827    -14.23746594
  H     18.51750849      7.60352811    -17.93073154
  O     19.89328814     12.37045011    -10.99863025
  H     15.04826701      5.34769728    -12.83951284
  H     18.81792102      8.87932614    -17.13379293
  O     19.25028357     10.45265645    -12.95675389
  H     13.70485527      5.21026997    -12.08210720
  H     14.20187540     10.59542293    -12.71579076
  O     15.86857876     11.88195305     -9.84646633
  H     19.36567587      5.88926109    -16.65518684
  H     15.18950764      9.66392282    -11.97668480
  O     18.33880513      8.55117117    -17.90760182
  H     19.43518728      5.16696484    -18.02266259
  H     15.24953160     12.43346563    -16.39387110
  O     14.86118838     10.57426459    -12.00554915
  H     15.75267996      5.73406116    -16.50520985
  H     15.94775253     11.62822359    -15.27689085
  O     15.37497219     11.54911375    -16.05831818
  H     17.28525749      5.44689698    -16.62181238
  H     16.63503934      8.95918498    -17.58748799
  O     15.73287998      9.06106688    -17.24400767
  H     19.62085572      5.37975598    -11.84951290
  H     15.60721021      9.97494015    -16.96043640
          69
 Ord_Energy   -249.537567    
 O    6.65556717      -6.09388542      -3.65737438    
 H    5.87328053      -6.23322678      -3.09791756    
 H    7.11431122      -6.92990112      -3.69900036    
 O   0.479451120      -5.08520651      -2.34886289    
 H   0.378808111      -4.42285824      -3.04357815    
 H   0.656403720      -4.62348938      -1.52008700    
 O    7.39972925      -3.89848518      -1.88412619    
 H    7.22407961      -3.16966605      -2.49834347    
 H    7.29460669      -4.69522572      -2.41375542    
 O    5.45826101      0.471489519      -2.73739052    
 H    5.78171062       1.35736787      -2.59535217    
 H    5.10255432      0.164854676      -1.88560033    
 O    3.55760360      -4.40010262       3.08799958    
 H    3.65148783      -4.82223415       2.22276449    
 H    4.36436415      -3.88265896       3.20695806    
 O    1.40873408      -1.07184446      -4.18154430    
 H    2.21853781     -0.748549700      -4.60119295    
 H    1.62896693      -1.20096886      -3.24895835    
 O    4.09365940      -3.52173519      -3.07586312    
 H    3.70197153      -3.86707711      -3.88907170    
 H    4.89870024      -3.04030275      -3.30209303    
 O    4.35677576      -6.11910963      -2.15183210    
 H    4.27730751      -5.17536163      -2.36950159    
 H    3.57989335      -6.55657864      -2.52386284    
 O    3.89828491     -0.268250793      -5.10847616    
 H    4.50206280     -0.848019898      -5.58634377    
 H    4.38672829       5.76776192E-02  -4.34361362    
 O    3.74577546     -0.807557285       2.17971110    
 H    2.93303585      -1.31096900       2.30897832    
 H    4.44799614      -1.33802044       2.57622099    
 O    5.86264944      -2.05405259      -6.32504320    
 H    6.28707457      -1.89168847      -7.16309166    
 H    5.72320032      -3.01603794      -6.26355505    
 O    4.42503214     -0.637226939     -0.473464966    
 H    3.63908339      -1.01206088     -0.900280893    
 H    4.20718384     -0.537583232      0.464234650    
 O   0.401376963      -3.47792339      -4.74751663    
 H   0.728331208      -2.57381940      -4.58578396    
 H  -0.400007933      -3.39160228      -5.25630569    
 O    5.83022499      -3.01275182      0.184804678    
 H    6.43793869      -3.34093666     -0.493995309    
 H    5.41660738      -2.20034456     -0.134318605    
 O    3.88712668      -5.00911903      0.358667552    
 H    4.54806900      -4.30331707      0.300701052    
 H    4.06408072      -5.60032988     -0.382081956    
 O    5.81687355      -2.67249703       2.90826416    
 H    5.93828869      -2.81996679       1.95429564    
 H    6.68851280      -2.58830142       3.28552794    
 O    5.46232796      -4.70172787      -5.92146254    
 H    5.91478062      -5.16951370      -5.20973253    
 H    4.51682520      -4.87017298      -5.80800533    
 O    2.77296925      -4.90869856      -5.15561771    
 H    1.95794415      -4.38846302      -5.16480732    
 H    2.56326199      -5.71851110      -4.67291975    
 O    6.44431496      -1.98189259      -3.60965490    
 H    6.39431810      -1.96611619      -4.57410431    
 H    6.21081591      -1.09774208      -3.29824376    
 O    1.53306448      -2.64248395       2.61060596    
 H    2.20353985      -3.30001259       2.87069345    
 H   0.920949757      -2.57146645       3.33853292    
 O    2.35430002      -1.91022444      -1.70139766    
 H    2.94514251      -2.48360252      -2.21524739    
 H    1.90779018      -2.48240662      -1.06512344    
 O    2.02866197      -7.01189804      -3.38536668    
 H    1.54613984      -7.82666159      -3.49009252    
 H    1.42211783      -6.37342453      -2.96434784    
 O    1.37701631      -3.81952047       4.17060703E-02
 H    2.22276974      -4.28631210      0.119918533    
 H    1.23582721      -3.38905191      0.893521607    
          69
 Energy    -249.53736663767194     
  O     15.62937490      4.91657460     -9.16725240
  H     16.20412802      4.87239240     -9.94261868
  H     13.27052031      8.21301337    -13.78220618
  O     14.15041354      8.10101293    -16.69168587
  H     15.74479083      5.80759726     -8.81740603
  H     16.91024572      9.64192439    -13.18714734
  O     17.54875449      9.08594352    -14.75603035
  H     13.64350926      7.96389167    -17.48765954
  H     15.88824769     10.62848238    -12.55892315
  O     10.84084311      6.76881144    -12.97763727
  H     13.51694074      8.11331318    -15.95159034
  H     14.02064265      7.97053611    -11.51496475
  O     19.59276271      4.68973272    -12.78864931
  H     17.13219817      8.23745115    -14.96568470
  H     15.11882594      8.66507262    -12.37632923
  O     12.58191267      4.50643649    -12.57212406
  H     18.50224574      8.93992272    -14.74419132
  H     12.78207498      4.83553728    -10.70226473
  O     17.59864815      7.94980509    -10.69678438
  H     11.35356657      5.98410035    -12.74565154
  H     13.84684859      4.93414354     -9.57662810
  O     11.02493533      8.97486916    -11.01501818
  H     10.84785245      7.35097060    -12.20919130
  H     21.07230353      8.69392750    -14.73223633
  O     18.98160926      5.80519035    -15.18903637
  H     20.15386501      3.92654597    -12.89361863
  H     20.21154317      8.06491513    -13.60821260
  O     14.63267541     11.76153545    -13.41532737
  H     19.36989208      5.00423984    -13.68330413
  H     15.81131385      5.27388873    -12.64950933
  O     12.05625993     10.55216337    -12.99314582
  H     13.46574893      4.77767922    -12.86907012
  H     14.80642186      6.40589874    -12.94434756
  O     12.60095798      8.21115137    -14.48384125
  H     12.41542921      3.64869022    -12.95585254
  H     16.22630779     10.15915434    -15.50559980
  O     16.46406347      9.88023482    -12.35943857
  H     17.06160504      7.92146958     -9.89450149
  H     14.88659420      9.81621542    -16.16569071
  O     14.40221635      8.01994812    -12.40117922
  H     17.25998226      8.68864464    -11.22093139
  H     15.58406309      7.08743510    -15.99063932
  O     12.94449666      5.19060144     -9.82135365
  H     11.37139962      9.59934220    -11.67635037
  H     15.85499196      6.20093756    -14.74504121
  O     20.21268504      8.32672075    -14.54703524
  H     10.20054815      9.33856117    -10.70211853
  H     19.31091593      7.65133890    -11.44684590
  O     15.07252358      5.51564582    -13.22566606
  H     18.06559404      6.01751070    -15.40868100
  H     20.01183183      6.45562606    -12.13112219
  O     15.36185600     10.53182000    -15.72886659
  H     19.45067747      6.64758027    -15.13886993
  H     13.10066103      6.91429599     -9.79659012
  O     16.28582398      6.69445500    -15.45667277
  H     14.83177765     11.37288409    -14.28669657
  H     12.48267415      8.31399598    -10.11312486
  O     20.06358434      7.41115013    -12.00252857
  H     14.71482212     12.70695283    -13.51397624
  H     17.32931027      6.20552022    -11.26667667
  O     13.29706211      7.86523062     -9.85541346
  H     12.11841149      9.86784668    -13.67285154
  H     18.01616970      4.95474329    -11.88148560
  O     17.19273122      5.27428772    -11.49338202
  H     12.89221749     11.03036526    -13.03671522
  H     15.68387038      8.14517656     -7.70994076
  O     15.73894950      7.77765927     -8.58870708
  H     11.87411470      7.67212131    -14.14014952
  H     14.86179029      7.89084699     -8.99251154
          69
 Ord_Energy   -249.536819    
 O   -4.81702948      -2.60248113       2.98762083    
 H   -4.85447407      -1.97974050       2.24343657    
 H   -5.58791399      -2.39606428       3.52511072    
 O   -3.06505966      0.985925853       3.95517206    
 H   -4.02753401      0.901915610       4.02230406    
 H   -2.85010052       1.89885497       4.18381977    
 O   -7.51683426      0.280695885      0.452018529    
 H   -7.29665947       1.11813295      0.880996287    
 H   -7.53303432      0.424482077     -0.506124556    
 O   -8.59364891      -1.84273136       1.69345140    
 H   -8.26565266      -1.05286396       1.22497392    
 H   -9.51987839      -1.92461205       1.47904897    
 O   -2.21551108      -1.69187713       3.53681445    
 H   -3.07229066      -2.13300443       3.45527339    
 H   -2.40950298     -0.799619019       3.85208941    
 O   -4.65274954       1.65157974      -2.51779556    
 H   -4.38891077      0.714812636      -2.57085109    
 H   -4.36895514       2.05810905      -3.33307433    
 O   -3.15598226      -2.44344497     -0.527306318    
 H   -3.86739945      -1.93021333     -0.111659512    
 H   -2.34918237      -2.20545888      -5.47601916E-02
 O   -7.23048878      -1.52638698       4.08490181    
 H   -7.74317408      -1.68333828       3.27534723    
 H   -7.75845003      -1.84772241       4.81221819    
 O   -4.25083637       2.76141858       3.92469913E-02
 H   -3.59175277       2.15224695      0.406902343    
 H   -4.41163635       2.47189450     -0.867158592    
 O   -6.51903105       4.92011023       3.04360223    
 H   -6.23214817       4.49969149       3.87448955    
 H   -7.11716223       5.62365437       3.27865148    
 O   -2.69656420      0.866606891       1.21620834    
 H   -2.04645848      0.175824046       1.04156375    
 H   -2.76929474      0.945983529       2.17872357    
 O   -5.84376001      0.971867442       3.99981999    
 H   -6.08184624       1.41045761       3.17057848    
 H   -6.33833122      0.146622255       4.05072260    
 O   -4.82595062      -4.37473392      0.741436124    
 H   -4.13535452      -3.93186235      0.231381074    
 H   -4.79549360      -3.97266316       1.61898375    
 O   -7.12702560      -3.31956792     -0.395012885    
 H   -7.60728455      -2.94172215      0.346333623    
 H   -6.35859823      -3.77397680      -1.83809698E-02
 O   -5.52672768       3.53739858       5.16211462    
 H   -4.57091427       3.64115715       5.07179832    
 H   -5.71037340       2.61213207       4.95046854    
 O   -6.74044847      -2.13186216      -2.79603767    
 H   -6.88195181      -2.56857800      -1.93707430    
 H   -7.06646538      -2.73170447      -3.46164060    
 O   -7.31134653      0.582533896      -2.22943234    
 H   -7.18502140     -0.330650002      -2.52189922    
 H   -6.47602367       1.03666556      -2.39364290    
 O   -6.45916557       2.46500969       1.69368207    
 H   -6.63168001       3.32657123       2.09146023    
 H   -5.70520926       2.57697678       1.09570599    
 O   -1.06329238      -1.43629253       1.10070658    
 H  -0.128209308      -1.61840057       1.12842417    
 H   -1.41082668      -1.60435247       1.99607420    
 O   -2.77517962       3.74547791       4.37010288    
 H   -3.07076550       4.11010313       3.51674271    
 H   -2.06803513       4.30546141       4.67886400    
 O   -4.13489199     -0.997704268      -2.71463919    
 H   -4.98782110      -1.43951726      -2.81708956    
 H   -3.64332438      -1.53182125      -2.07791376    
 O   -3.82313347       4.72644758       2.05337524    
 H   -4.73005438       4.95070457       2.29659462    
 H   -3.88748264       4.18021011       1.25969648    
 O   -4.92580271     -0.820725083      0.880188823    
 H   -5.77062750     -0.427722216      0.636801720    
 H   -4.26408672     -0.122705206      0.965765238    
          69
 Energy    -249.53582531994505     
  O     12.75779414     11.99371776    -15.66292668
  H     12.01964818     11.59281218    -15.17886472
  H     18.93258192      9.92370795    -12.65528965
  O     15.34791632      7.33315544    -13.23101035
  H     13.43080507     12.14924755    -14.99435942
  H     16.92198434     10.07313431    -17.14143566
  O     16.33819086     11.22954992    -11.21621792
  H     15.27644159      8.09954263    -13.82248161
  H     17.93153393      9.53125732    -16.06499564
  O     17.17224098     12.39055970    -14.49211440
  H     15.84797757      7.62945661    -12.45843502
  H     15.80955657      9.66864534    -15.44641967
  O     13.02793409      8.39175315    -16.68563213
  H     15.76381773     11.42811900    -11.96797399
  H     14.32824827      9.16254645    -15.54355878
  O     12.73509080      7.68637900    -12.39844624
  H     17.22593039     11.50976323    -11.46963636
  H     10.90254908      9.73973629    -14.25855968
  O     14.58106875     11.64349624    -13.39888193
  H     17.25636499     11.72442487    -15.19011681
  H     11.38627195     10.71085856    -13.16827421
  O     16.61357395      6.44421242    -15.59199152
  H     16.25632597     12.36241171    -14.19481722
  H     15.21425271      7.55544543     -7.95955298
  O     12.61055849      7.03844067     -9.72505730
  H     12.98049508      9.18747952    -17.23364838
  H     14.17605562      7.54979313     -9.10477886
  O     18.90266264      8.11092422    -15.34816900
  H     13.66273271      7.78871084    -17.09633736
  H     11.81949933      8.02200437    -15.45768937
  O     15.09709334      6.89720267    -17.77876538
  H     12.16068851      7.66102543    -13.17312847
  H     10.48006648      7.34233256    -15.08985224
  O     18.84599765      8.97221857    -12.79368957
  H     13.62973634      7.46023751    -12.69128189
  H     18.29240730     12.07153281    -13.20562114
  O     17.31446068     10.24421045    -16.27193470
  H     13.84987025     11.39325831    -12.81573294
  H     19.48515982     12.46725801    -12.29985158
  O     15.01927187      9.44639755    -14.93507134
  H     14.74945100     10.85739944    -13.94445524
  H     16.52049626      9.41237024    -11.11606071
  O     10.95231656     10.67503458    -14.03132959
  H     16.18506759      6.54694828    -14.73231643
  H     16.20206570      8.17114789    -10.25665000
  O     15.02677714      7.92457643     -8.81878720
  H     17.44214697      6.93625369    -15.53356657
  H     14.44480617      9.76852544     -9.12563072
  O     11.18829745      7.87280959    -14.73336203
  H     12.59029458      7.20505545    -10.68124827
  H     14.98363840     10.97948728     -9.90027179
  O     18.81423933     11.80249316    -12.42740199
  H     11.72598505      7.21045074     -9.41059092
  H     14.98498434     10.08024670    -18.39667489
  O     16.65996713      8.45578093    -11.05671885
  H     19.79779119      7.85872856    -15.55869787
  H     15.61162503      8.66804798    -18.34924819
  O     14.19237846     10.63498210     -9.46451661
  H     18.90239092      8.38880947    -14.41385284
  H     13.05936293     10.57500928    -10.89353768
  O     15.82193782      9.60337285    -18.46153083
  H     15.65252258      6.70417117    -17.00168081
  H     12.71916018      9.51396195    -11.96727021
  O     12.66344733     10.45823846    -11.76888793
  H     15.15187643      6.13647411    -18.35062145
  H     13.09282341     11.30559107    -17.20569581
  O     13.23651175     10.81071173    -18.03344918
  H     18.20611234      8.66221023    -12.14117656
  H     12.76966139     11.28346867    -18.71721810
          69
 Energy    -249.53561993315702     
  O     18.40739079     10.93829919     -8.45999906
  H     18.31452833     11.79253522     -8.04555870
  H     16.16074199      9.16281996    -10.13209888
  O     18.38265654      5.25639422     -9.39196613
  H     19.17477319     10.99866125     -9.05577988
  H     21.04478112     10.16708394     -9.77825327
  O     18.56611359      5.59010170    -13.29116437
  H     17.88561978      4.80660115    -10.08687397
  H     20.49108706     10.71804388    -11.09605902
  O     22.35226740      6.13612483    -10.60171765
  H     18.57739303      6.14855351     -9.72015928
  H     16.32123323      7.67348619    -15.06061421
  O     16.81117734      4.23940300    -11.43825768
  H     18.08161334      4.97568762    -12.72765351
  H     17.00702351      8.35107305    -13.84865108
  O     20.59232912      7.23229429    -12.55044995
  H     17.90589462      6.17954897    -13.67842955
  H     13.71832536      5.35811556    -11.69822739
  O     20.90071739      7.45865100     -6.70704223
  H     23.16069959      5.64888474    -10.73525739
  H     13.53266563      4.06190233    -10.89312351
  O     14.42383934      4.73255494     -7.90122505
  H     21.87990195      5.69721086     -9.87071622
  H     14.12909531      7.56579494     -9.45664420
  O     21.40492875      8.42359089     -9.23011908
  H     16.26711250      5.00915983    -11.66479917
  H     15.58515067      7.39379262     -8.95959054
  O     18.95424171      7.76914325    -10.34086921
  H     16.21432146      3.63496224    -10.97989389
  H     15.21377866      6.99360026    -11.26570719
  O     18.22806472      8.52111407     -6.84263657
  H     21.22572015      6.78080524    -11.97904258
  H     15.61572634      6.87944561    -12.78011668
  O     16.90365681      9.68589359    -10.46472794
  H     19.96217349      6.57537182    -12.88822684
  H     20.59886808      8.99357400    -12.82521488
  O     20.54773336     10.90794057    -10.15222712
  H     21.54804894      7.69795871     -6.04776577
  H     21.07541144     10.26188354    -13.56774621
  O     16.63895607      7.51103962    -14.17654812
  H     21.17455632      7.88470541     -7.53671086
  H     17.07956624      7.22838866     -7.31466412
  O     13.05194313      4.82059149    -11.24606983
  H     15.16986455      5.30461833     -7.67411976
  H     17.20000075      5.97766942     -8.22483627
  O     15.03862559      7.84119291     -9.62348523
  H     13.71587558      5.32672347     -8.17666874
  H     12.62851591      5.92437284     -9.94310167
  O     15.20360205      6.41661453    -12.04105132
  H     21.94480438      7.77207846     -9.69319031
  H     11.64647421      6.72442308     -9.05362929
  O     20.48921075      9.95833330    -12.87853376
  H     20.49360013      8.25441207     -9.52322060
  H     18.60417406      9.93788976    -13.09647376
  O     16.56887636      6.51871575     -7.72971330
  H     19.36164965      7.62000307    -11.20409389
  H     17.32736826      9.86478375    -12.22449204
  O     12.57132531      6.53833284     -9.18892990
  H     18.24793875      8.41782045    -10.44096328
  H     20.95285430      5.75858394     -7.74267037
  O     17.65573069      9.76975223    -13.13012818
  H     19.11634067      8.16825410     -6.71047045
  H     20.06465520      5.00857183     -8.75169677
  O     20.98505726      5.13612464     -8.47745365
  H     18.32571395      9.33765793     -7.34525242
  H     14.70778092      3.53661392     -9.15563733
  O     14.80322648      2.94579613     -9.92436582
  H     17.27370200     10.19171549     -9.73022128
  H     14.64967979      2.05985067     -9.60735945
          69
 Energy    -249.53548467019419     
  O     20.88955104     11.35327159    -10.20847099
  H     20.40914548     10.92389566     -9.47604326
  H     18.44418330     10.35710255    -12.13131234
  O     17.73897229      6.85485494     -9.40007687
  H     21.08713856     12.24102327     -9.92374949
  H     22.69664581      8.71220508    -10.57743104
  O     18.09110655      3.80674072    -12.03229325
  H     18.46294646      7.10209869     -9.99724731
  H     22.26631448     10.17362162    -10.81829238
  O     19.67821060      5.68259768    -13.35264759
  H     18.12033974      6.32378565     -8.69097940
  H     18.39177467      7.24335762    -16.25134779
  O     22.00357010      7.21615642     -9.76460512
  H     17.69197476      2.96960491    -12.25516859
  H     19.16215955      7.94436198    -15.10208643
  O     16.25592026      5.69731839    -11.37784010
  H     17.36482925      4.41287663    -11.80314021
  H     19.39635742      3.88803128    -10.57762655
  O     22.45173962      5.72729651    -13.15787034
  H     19.12574229      4.96620902    -13.01561344
  H     20.87097295      4.15008500    -10.16414053
  O     20.57965902      7.73947436     -7.41357909
  H     19.22361549      6.10404673    -14.09279774
  H     14.63821260      7.62535134    -12.59777324
  O     22.60981733      4.61713900    -10.70986116
  H     21.18184118      7.33029941    -10.26717047
  H     14.02988951      8.12574114    -11.28066450
  O     19.66471839      7.53836323    -11.24345216
  H     22.32437224      6.33182300     -9.97332782
  H     15.73316033     10.27918158    -11.59145492
  O     19.47210034     10.11919112     -8.29946828
  H     15.37766329      6.09794514    -11.42996043
  H     16.61289976      9.34784749    -12.45292926
  O     19.38585479     10.16307347    -12.22433593
  H     16.70460075      6.08356452    -10.60997047
  H     16.62906522      7.04026005    -12.71306332
  O     22.84940795      9.47998790    -11.14628872
  H     21.50330677      5.66187838    -13.33773287
  H     17.13482680      7.62698513    -14.06070277
  O     18.47294728      7.28240693    -15.30280089
  H     22.69719615      6.64130454    -13.34492625
  H     23.78911523      8.80052817    -14.06322695
  O     19.98245223      3.99208542     -9.82058759
  H     21.20907801      7.57969219     -8.13087042
  H     22.95440645      8.87443504    -12.76513761
  O     14.08425421      7.35236078    -11.85633344
  H     20.09869136      6.91073391     -7.31625171
  H     17.07207061      8.48947591     -9.14710447
  O     16.62945700     10.16044922    -11.92128250
  H     23.39303646      4.08072407    -10.62328426
  H     16.96454821      9.70463729    -10.09756582
  O     16.54221112      7.78908981    -13.31737384
  H     22.61483661      4.98023877    -11.61426320
  H     15.05263581      9.59916559     -9.68552700
  O     22.98874561      8.48016110    -13.65532420
  H     19.59799789      8.43620170    -11.59285159
  H     13.67096149     10.28155951     -9.76231742
  O     16.81170022      9.42254315     -9.18493477
  H     19.70149249      6.92995683    -11.99263669
  H     20.02104565      9.54323663    -13.81009710
  O     14.27966005      9.73860282    -10.25714441
  H     18.53404101      9.96156111     -8.44588692
  H     21.27483291      8.82688664    -14.34820969
  O     20.35608544      9.03089998    -14.55962933
  H     19.83575360      9.31220038     -7.90537235
  H     19.46448701      4.75996306     -8.34981107
  O     19.11085203      5.25481135     -7.58838218
  H     19.87398095     10.68258477    -11.57219722
  H     18.92077454      4.61508234     -6.90798194
          69
 Energy    -249.53537697432802     
  O     16.40423498     10.46475125    -16.42476042
  H     15.91468432      9.84759087    -16.96202356
  H     15.92338042     13.60768686    -16.12455993
  O     19.09679638     16.01616270    -16.36957112
  H     16.99213657     10.95660492    -17.02617701
  H     17.64918136     12.92855485    -17.85369409
  O     21.80175286     10.54438147    -15.11331561
  H     19.19012658     16.37557752    -15.47830935
  H     18.91020982     12.05441843    -17.70840887
  O     18.95763612     14.27784616    -10.56584637
  H     19.96968030     15.69515233    -16.62296156
  H     18.67827798     11.33878023    -10.06125236
  O     15.04431323     13.67790028    -12.99321126
  H     21.30095866      9.93437899    -14.55992119
  H     17.70757503     11.45686221     -8.86218509
  O     20.16709812     10.71102531    -10.69888726
  H     21.95413514     11.30801737    -14.53679072
  H     22.13561073     13.96904415    -10.83754752
  O     16.24608579     11.28608524    -12.01201550
  H     18.51924083     13.52332076    -10.15381952
  H     20.64540765     13.60411327    -10.65054820
  O     20.44518167     12.35415275    -16.68581735
  H     18.50149556     14.42005210    -11.40779069
  H     17.25988685     10.18626044    -14.81287951
  O     21.96540021     15.45307183    -14.16054203
  H     14.17899824     14.05196610    -12.85436092
  H     17.16266504     10.50832041    -13.27798891
  O     20.33213252     16.77548572    -10.98992433
  H     15.10343950     13.44004993    -13.93750201
  H     22.18408234     14.87571852    -17.67500117
  O     21.65221370     12.77413501    -13.44945514
  H     20.27985870     10.23232487    -11.52811394
  H     21.28068532     13.90734653    -16.87678447
  O     15.39768847     13.01735599    -15.56979977
  H     20.81852369     11.42296113    -10.67830277
  H     18.76926857     15.96538470    -13.47010852
  O     17.98103333     12.02881133    -17.97147333
  H     16.73323440     11.48525711    -11.20307455
  H     19.76373215     16.88436596    -12.74302908
  O     17.88179019     11.79702367     -9.73596627
  H     15.77529027     12.09126874    -12.25868824
  H     22.70897271     15.58355181    -12.49086098
  O     21.53331470     13.22254530    -10.73409680
  H     19.82043123     12.56779174    -15.97569805
  H     23.79493666     15.96798092    -11.46354373
  O     17.75338232     10.19838717    -13.98385644
  H     20.97951323     11.62618166    -16.33627818
  H     19.27381172      9.47170211    -13.46542223
  O     21.65691642     14.80427282    -16.88340189
  H     21.10041859     15.85509266    -13.98594467
  H     20.09912228      8.24089800    -13.03117540
  O     19.48832599     16.59675991    -13.62493653
  H     22.01818794     15.31366578    -15.11391450
  H     19.90372125     12.62049979    -13.94497008
  O     22.92398998     15.58652369    -11.54379220
  H     21.24968234     16.48085273    -11.02142103
  H     18.58914060     11.80807776    -14.19576343
  O     20.15068339      9.18592018    -13.15625475
  H     19.82713706     16.01950261    -10.66259119
  H     16.54045168     15.19225387    -17.93411298
  O     19.01702554     12.66345583    -14.33179246
  H     21.64819586     12.81664857    -12.48493930
  H     17.71787296     15.11644290    -16.94171507
  O     16.97629221     14.61043780    -17.31588189
  H     21.81041964     13.67554790    -13.75773937
  H     18.09778246     13.93234639    -13.54034432
  O     17.67614907     14.63179253    -13.01634092
  H     15.64012402     12.12017176    -15.82535647
  H     16.73682083     14.42382498    -12.96517485
          69
 Energy    -249.53460071855224     
  O     13.05384288     11.48577782    -13.80158818
  H     13.04066306     12.43875868    -13.84769250
  H     14.36069350      5.63711574    -16.74746007
  O     12.61769139      5.71744060    -17.13168257
  H     13.82306919     11.24677540    -13.25489263
  H     14.02071844      7.90947184    -14.04376481
  O     14.05069808      5.44746612    -11.93534670
  H     12.24823523      5.15155679    -16.44400374
  H     12.49694905      7.63071723    -13.82070624
  O     16.76269150      5.97229662    -11.71946353
  H     12.13184589      6.55036836    -17.10722966
  H     13.18466350     10.48298572    -15.39158534
  O     12.08329003      3.77108308    -15.02296234
  H     13.31178844      5.36749545    -11.32336363
  H     14.09724349      9.38254732    -15.96923235
  O     10.88701050      9.97274747    -12.73202336
  H     13.83702619      6.20400947    -12.50657637
  H     11.18594443      5.52121635    -11.45470593
  O     11.32884005      8.27747207    -17.00577304
  H     16.92230666      6.70072727    -11.10100012
  H     11.05380146      5.21882224     -9.94222269
  O     17.03459957      8.28515885    -10.28344431
  H     15.81320764      5.78834416    -11.69564049
  H     12.07058078      7.52417403    -10.65401279
  O     10.72436826      7.74625804    -14.33485586
  H     13.00490569      3.69454533    -14.72950112
  H     12.83815617      8.24190675    -11.78317769
  O     17.44373471      3.82499458    -13.32250045
  H     11.83704744      2.91246948    -15.36138585
  H     14.41479501      4.34748607    -13.28898577
  O     17.95992797      5.57507136    -15.57731260
  H     11.58280833     10.53709663    -13.09474257
  H     15.62572627      3.62591453    -13.90618839
  O     15.20795503      5.58450771    -16.28005971
  H     11.26568217      9.56100063    -11.94596393
  H     11.08080902      4.71509059    -13.70550542
  O     13.36521043      7.62441291    -13.39671740
  H     12.03849319      8.89820088    -16.75750470
  H     10.53007337      6.14265536    -13.52072147
  O     13.30158198      9.90126663    -16.15227391
  H     10.87778286      8.65851111    -17.75406050
  H     13.77511509      9.14568975    -10.04569910
  O     11.58492175      5.68726861    -10.57960021
  H     17.42015434      8.92962011    -10.88928324
  H     14.29606378     10.04066276     -8.89796517
  O     12.44376430      8.37743410    -10.90659989
  H     16.20124035      8.67332602     -9.98868675
  H     15.25206765      7.30583721    -15.72671519
  O     14.70182633      3.84870112    -14.06971971
  H     10.63337156      8.57422177    -13.83897661
  H     16.12313154      8.16733716    -14.78963915
  O     10.64109657      5.29216586    -13.07080159
  H     10.79077815      7.95703141    -15.27391536
  H     16.07680200     10.62143740    -12.37356644
  O     14.56384582      9.59487563     -9.69770783
  H     17.30177335      4.55253378    -12.69303468
  H     14.95362030     10.48498361    -11.33109744
  O     15.30490274      8.17344266    -15.29945737
  H     18.04808491      3.21689049    -12.90394821
  H     17.86886208      9.20394278    -13.01623419
  O     15.14808549     10.82469583    -12.21259104
  H     17.90995622      4.87664297    -14.91327143
  H     18.67696125     10.46456203    -12.63440197
  O     17.86536172      9.99751950    -12.45368174
  H     17.10533210      5.56324070    -16.02968652
  H     17.89801266      7.03560855    -14.50884766
  O     17.62693834      7.65397564    -13.81512387
  H     15.05599012      5.00164868    -15.52537706
  H     17.29601085      7.10842275    -13.08840258
          69
 Energy    -249.53430075298053     
  O      0.98670576      1.17238366      4.72495853
  H      1.55829666      1.48139667      5.42403048
  H     -0.56815081      2.24820663      0.95641825
  O      1.47206295     -0.43747549     -2.95521233
  H      0.59965629      0.33396909      5.03635255
  H     -3.22384468      0.46667501      5.24335127
  O     -0.18733009     -1.12222328      5.55945311
  H      0.59626275     -0.21718919     -2.61036280
  H     -3.56458268     -1.04571760      5.16371585
  O     -0.80205495      0.13190327     -1.36631031
  H      2.06004384      0.26633267     -2.65289578
  H     -2.56947195      2.06720605     -0.01606256
  O      2.09255767     -2.65198705     -1.48915862
  H     -1.12562049     -0.88798459      5.61419184
  H     -3.50315671      2.48722046     -1.17734477
  O      3.55662304     -0.70186782      0.09208978
  H     -0.16608980     -2.01123305      5.18845373
  H     -2.17670608     -0.26289969      3.49238220
  O     -2.97783567     -3.61950013      3.36758537
  H     -0.18664629      0.63099958     -0.80936082
  H     -1.17097021     -0.80307695      2.43963388
  O     -1.29866886      2.85463662      4.11016183
  H     -1.63552049      0.61420691     -1.34526726
  H      0.32114932     -2.73570560     -0.84328509
  O      3.15734546      1.41145734     -1.56417473
  H      2.53775438     -3.32385114     -1.99945609
  H     -0.73566797     -1.61113573     -0.81350632
  O     -5.47327117      0.24201602      3.15277558
  H      1.90719840     -1.91442177     -2.09819514
  H      1.71347575      0.55458463      3.09890354
  O     -5.03081756     -2.02732840      4.58107642
  H      3.12251803     -0.49438459      0.93013378
  H      1.35309137     -0.66747040      2.22238904
  O     -1.44348246      2.29502946      1.36694295
  H      3.09161911     -1.45679127     -0.28846260
  H     -4.26773089      2.80866765      5.23846002
  O     -2.83813471     -0.41859121      5.27211960
  H     -3.72817669     -3.15840247      3.75603225
  H     -2.95430179      2.44226825      4.51457004
  O     -3.07865544      1.73397000     -0.77517437
  H     -3.05193451     -3.51373202      2.40707388
  H      1.69023267      1.77920744     -0.44461333
  O     -1.87638098     -0.15929544      2.58225465
  H     -0.53393641      2.31538170      4.34516853
  H      1.31092913      1.15673440      0.92379309
  O     -0.54820323     -2.50561272     -0.49219187
  H     -1.30526440      2.89444542      3.14449169
  H     -1.38302117     -3.67667743      3.95276098
  O      1.91359360      0.12420398      2.25963426
  H      3.95809303      1.88184507     -1.77804775
  H     -0.20744420     -4.53240973      4.48667566
  O     -3.85264714      2.12647369      4.71675502
  H      3.41033173      0.66956790     -0.98380954
  H      0.04285222     -2.65412529      2.76373663
  O      0.96362181      1.67262501      0.18023248
  H     -4.97072521      0.96378336      3.54763619
  H     -0.08036503     -2.27814299      1.23594710
  O     -0.44126009     -3.65166144      4.20865120
  H     -5.09095376      0.07486732      2.27996185
  H     -2.28155991     -3.02610946      0.16612125
  O      0.19292081     -1.96223908      2.10741666
  H     -5.28833227     -1.25586177      4.04549889
  H     -3.54876097     -2.24639302      0.57639644
  O     -3.10970642     -3.10300573      0.65479474
  H     -5.82800866     -2.36261704      4.98206854
  H     -3.84342069      0.27635901      0.18406553
  O     -4.00970533     -0.40722025      0.84260570
  H     -1.58003118      1.45375902      1.83358547
  H     -3.25232099     -0.38879836      1.45006386
          69
 Energy    -249.53406201303051     
  O     17.78785114     14.95943735    -15.99218026
  H     18.48770778     14.62835605    -16.56842521
  H     17.97129385     10.55809260     -8.79881500
  O     21.45463076      9.60840118    -15.26480381
  H     18.23758677     15.41742993    -15.27040496
  H     20.89165932     16.90796974    -11.27986940
  O     19.64521580     13.45566591    -10.04997857
  H     20.85464577      9.13904600    -14.65792142
  H     20.73613317     18.37789160    -11.73692848
  O     15.42411714     13.43275961    -12.78013930
  H     22.05300615      8.95502108    -15.61635616
  H     21.17322116     12.79857136    -10.85896121
  O     20.29410080     10.21476347    -11.39359732
  H     19.20530234     12.67238315     -9.70054616
  H     22.66657008     13.05283602    -11.15011614
  O     16.25401433     11.00486004    -11.40562237
  H     19.06575854     13.78493070    -10.75486029
  H     17.79374647     10.47634119    -13.54893095
  O     19.51848652     11.45988009    -16.06104768
  H     15.46044014     13.37069723    -13.74828792
  H     16.85463059      9.89262655    -14.60215627
  O     21.46441417     14.49227816    -15.03392984
  H     14.59725080     13.85781176    -12.56383599
  H     19.82892667     12.92129119    -16.96571499
  O     21.26589200     15.76924156    -10.00733346
  H     19.63817288     10.38867929    -10.70599529
  H     20.20162706     13.65230864    -18.27985788
  O     22.34849798     12.10747597    -14.06112184
  H     21.03343891     10.82069486    -11.24663908
  H     22.30254153     16.65886593    -12.92561819
  O     16.73028101     10.79760501    -16.23396022
  H     16.43551157     10.40536267    -12.14344352
  H     22.56963566     15.54422772    -13.95774307
  O     18.27377101     11.00939598     -9.58251735
  H     15.90782025     11.80833420    -11.80846256
  H     20.10136710     15.35016400    -14.22556524
  O     20.76670362     17.48086328    -12.05788074
  H     20.19385035     10.77292736    -16.00384408
  H     19.75594258     16.52691995    -13.27513316
  O     21.96501511     12.39680418    -11.24485567
  H     19.33888760     11.71053374    -15.14107337
  H     23.50334154     15.09149184    -11.86699876
  O     17.18607670      9.73697702    -13.70783462
  H     21.10326741     14.35019671    -15.91516915
  H     24.60358878     14.71935837    -10.84506489
  O     19.98702551     13.79678093    -17.36234981
  H     21.77324614     13.63037629    -14.71087927
  H     18.80224585      8.67526040    -13.62386299
  O     22.97624517     16.04197512    -13.23552377
  H     22.13264669     15.39185205    -10.20353260
  H     19.99132473      8.92013542    -12.67693840
  O     19.36515444     15.85918579    -13.85211778
  H     20.67509608     15.01980260     -9.85784008
  H     19.53660274     11.33379373    -12.73686740
  O     23.67846264     14.60283078    -11.04256002
  H     22.09848745     11.23569466    -14.38605770
  H     18.69236537     12.62616500    -12.94213274
  O     19.73817279      8.47433641    -13.49817469
  H     22.21593804     12.11063271    -13.10493038
  H     16.40715357     13.97962547    -15.71431680
  O     19.00993341     11.82697185    -13.37802118
  H     16.33685261     11.65143764    -16.01993460
  H     14.97853938     13.63181519    -16.19361300
  O     15.63687610     13.40828837    -15.53991053
  H     17.67672065     10.96656951    -16.33244911
  H     17.12490487     14.04273306    -12.34402760
  O     18.06362596     14.15208563    -12.15421432
  H     17.52407773     11.02109196    -10.20415972
  H     18.43982851     14.80527188    -12.76164681
          69
 Energy    -249.53382614425755     
  O     -2.65795867      4.38271474      3.09401156
  H     -2.71180468      5.34542192      3.06008697
  H      0.13428082      7.87981016     -2.16281413
  O      2.76926655      9.41931463      2.22065926
  H     -2.90654691      4.04305477      2.22395994
  H      0.45928422      2.84579353      2.07929276
  O     -0.26446821      8.77291641     -0.51996488
  H      3.66936163      9.62233188      1.97990285
  H      1.07124066      3.30321334      0.73086387
  O      1.20686859      8.55528391      4.44989448
  H      2.50662217      8.64549472      1.69431179
  H     -3.43025965      3.21512790     -4.64079420
  O     -1.20900502      9.68060071      3.89235639
  H     -1.15745886      8.46103315     -0.32325127
  H     -2.35714790      3.31064640     -3.52883024
  O      1.64685145      7.28362583      0.86855194
  H     -0.10811451      9.52248065      0.07376792
  H      0.98402337      5.73505805     -3.04804675
  O     -2.69820855      7.57103205      0.21035304
  H      1.86166087      8.91302905      3.83731672
  H      1.99909210      4.80321140     -3.75235843
  O     -2.25678824      7.24104362      2.89988749
  H      1.00215985      7.66891365      4.12004132
  H     -0.12388671      3.15150378      4.55199482
  O     -1.33931994      5.34154173     -0.54329314
  H     -1.51157439     10.28148402      4.56850904
  H     -1.08760666      3.79955583      3.52685020
  O     -2.97675545      3.38405186      0.45428012
  H     -0.35185082      9.32915273      4.19284859
  H     -4.30745441      3.89238370     -0.76364660
  O     -1.09793353      1.45061085     -0.46031798
  H      0.98254175      7.76767160      0.35629903
  H     -4.34856204      3.96165885     -2.30408679
  O      0.18890245      7.27100982     -2.90973856
  H      1.20118762      6.90425677      1.64312773
  H     -2.66076214      5.39714159     -3.47523744
  O      0.71015710      2.53794259      1.20030972
  H     -3.48978957      7.51541684     -0.33718513
  H     -3.15720640      6.62784381     -2.68285287
  O     -3.21759664      3.66020718     -3.82535096
  H     -2.19209185      6.76156416      0.03029994
  H      1.67611663      5.64552698      0.05285814
  O      1.34828421      4.83086226     -3.05607218
  H     -2.03827385      8.09079939      3.30295196
  H      1.56939844      4.76890626     -1.23953561
  O     -0.15450463      3.57395768      3.69791738
  H     -2.50165651      7.42967535      1.98215743
  H     -4.83516854      6.01804046     -1.54576349
  O     -4.79048925      4.27863880     -1.50636511
  H     -1.52166623      5.53505708     -1.47181350
  H     -5.56288325      7.34075909     -1.89281275
  O     -2.37258157      6.23018426     -3.08031811
  H     -0.39904369      5.15177171     -0.44643684
  H     -0.56838677      6.56376208      2.98727773
  O      1.41837640      4.77738355     -0.28545711
  H     -2.41062632      4.10185907      0.12795160
  H      0.31620262      5.33203943      3.31690532
  O     -4.71611675      6.98056043     -1.64499021
  H     -2.50328158      2.57758704      0.21900056
  H     -0.82095120      2.41327408     -2.07357493
  O      0.34848510      6.26208800      3.06565306
  H     -0.42527650      1.78807824      0.15948742
  H     -0.04465019      3.46178596     -2.93222890
  O     -0.81222372      2.87977562     -2.91915038
  H     -1.04468671      0.49918591     -0.43084177
  H     -0.34839984     10.35050117      2.26192341
  O      0.21409910     10.56827724      1.50909871
  H     -0.72532916      7.03864634     -3.12782234
  H      1.11490847     10.35955647      1.78540996
          69
 Energy    -249.53333521335668     
  O     15.01976568     12.55086299    -11.73029435
  H     14.36944377     12.61609628    -11.02134652
  H     13.97183794      7.63050417    -14.92215672
  O     16.80895451      9.19236093     -7.20759411
  H     15.68982584     11.93631046    -11.40143401
  H     12.49397505     11.65511835    -10.51634539
  O     16.58952900      6.26926344    -11.47790862
  H     16.71957699      8.23303167     -7.14943030
  H     12.24919317     12.70795497     -9.41099298
  O     13.46873686      4.38947362    -11.20217696
  H     15.97075842      9.53273571     -7.54749014
  H     15.28416313      9.17260510    -14.21098387
  O     18.52413740      6.83718007     -9.50053607
  H     16.22705231      5.73110993    -12.19336999
  H     14.23515733     10.18995874    -14.67949856
  O     16.89670797      6.32835982     -7.38995600
  H     15.98356796      6.17132884    -10.72871123
  H     19.50572416     10.11224737     -8.68458713
  O     16.54196803     10.52058144    -10.54879499
  H     13.96005689      4.78439328    -10.46979206
  H     18.11231287      9.54352860     -8.31506825
  O     10.35257666      7.31321995     -9.78039021
  H     14.02548998      4.47780932    -11.98497348
  H     14.19570529      6.56531471     -9.15741054
  O     14.52995560     10.10327950     -8.62292318
  H     18.69348976      7.78709421     -9.49963380
  H     15.49189444      5.95561058     -8.55008895
  O     13.39499433      8.39880562    -11.84350110
  H     18.01491993      6.63956718    -10.29810493
  H     12.51750577      9.92434329    -11.89999755
  O     10.85528705      4.98157451    -11.36872650
  H     17.29349040      5.74195796     -6.75130952
  H     12.38273895     11.20204712    -12.75569101
  O     13.67671947      6.72398883    -14.75354294
  H     17.54750698      6.44917893     -8.10593511
  H     10.72702033      7.70803535    -12.97866734
  O     12.91588161     12.13823809     -9.78696913
  H     17.38833865     10.32139289    -10.13056134
  H     11.14087012      6.25208835    -12.67702158
  O     14.62486923      9.33852478    -14.90119154
  H     15.85681747     10.32965329     -9.89228680
  H      8.96532986      9.51849421    -12.28947364
  O     18.74383508      9.66885586     -9.04771706
  H     10.46017403      6.46752190    -10.23567194
  H     10.46783135      9.76975169    -12.03110549
  O     14.87596385      5.88957423     -9.28948198
  H     10.06584316      7.93527439    -10.45870741
  H     14.65310414      5.54881160    -13.95193235
  O     11.99398626     10.73576816    -12.00387191
  H     13.96870287      9.31974027     -8.71882679
  H     15.45943927      4.23722470    -14.08937390
  O     11.33975420      7.01133509    -13.24189745
  H     13.98472856     10.85954435     -8.86938086
  H     13.60616243     12.63462999    -14.58745195
  O      9.77898731      9.08562071    -12.04262750
  H     12.87258951      7.82102073    -12.41274829
  H     14.18248393     12.17448974    -13.22872782
  O     15.16228629      4.88345656    -13.45442007
  H     14.28670593      8.47325112    -12.20533062
  H     12.04200526      7.69992000     -9.19073499
  O     13.58798102     11.91913799    -13.95718604
  H     10.34996573      4.17362344    -11.39059298
  H     13.18986895      8.06081411    -10.14851974
  O     12.98677984      7.90073830     -9.21214476
  H     11.79072262      4.72431855    -11.27425980
  H     16.34952665      7.88069465    -12.25777428
  O     16.05752813      8.73630169    -12.60006068
  H     12.76773262      6.78214379    -14.43421645
  H     16.28827669      9.39916480    -11.93545759
          69
 Energy    -249.53249965938556     
  O      0.99742131     11.27337735      1.65993827
  H      0.37955998     11.33839371      2.39758874
  H     -2.14320948     10.35035318      2.44574007
  O      1.10520398     15.00382712      0.54063868
  H      0.58293995     11.73813789      0.91265229
  H      4.58891247      7.81218975      0.65979979
  O     -2.59342752     12.35545421     -1.41861826
  H      1.52165708     15.43017924     -0.22437935
  H      4.39833129      9.33466081      0.45932571
  O     -4.25919906     11.92865228      0.79059670
  H      0.69652623     14.18737397      0.21299871
  H     -1.36689108      7.25718761      0.06734563
  O      3.71781814     13.41097557     -1.60362488
  H     -3.25174661     12.20499974     -0.72942872
  H     -0.34964572      8.41804416      0.14575806
  O      5.02692316     10.95536650      0.64859112
  H     -2.34258001     11.49218904     -1.78179958
  H      3.05834338      9.40715245     -2.73092074
  O      5.62198638     11.44347711     -2.11367913
  H     -3.78909572     11.15652018      1.15590980
  H      4.03135206      8.86796503     -1.66329658
  O      1.31244630      9.03632378      0.12968364
  H     -5.19167416     11.76162782      0.89467107
  H     -0.56225467     15.01627067     -3.02857898
  O     -0.01521253     12.64117230     -0.43093391
  H      3.54099684     13.25396068     -0.66573337
  H     -0.02464125     15.32486969     -4.44494974
  O     -1.92785770     15.00854531     -1.95706768
  H      4.44430794     12.82727766     -1.85508246
  H      1.21128372      9.61358460     -1.67697544
  O      3.09513707     13.02385669      1.13252602
  H      4.49155469     11.70282294      0.94054597
  H      1.26119222     10.74373554     -2.75692006
  O     -2.76364451      9.93800791      1.83272501
  H      5.36730735     11.18990342     -0.22438849
  H     -0.76591127      9.81972353     -2.54210357
  O      4.03996962      8.45933072      0.22553871
  H      6.41405542     11.37249723     -2.63890862
  H     -1.68197044      9.28111189     -1.43864485
  O     -1.29817601      8.20691288      0.13038629
  H      5.05527138     10.68706830     -2.35059817
  H     -1.59181621     16.74598565      1.08612715
  O      3.99570531      9.31214303     -2.51941871
  H      1.23527212      9.79538775      0.72736753
  H     -0.53806654     15.65683071      0.78527386
  O      0.22552358     14.96339547     -3.59897779
  H      2.22199392      8.72141459      0.19445822
  H     -2.15829564     14.35442908      1.75531672
  O      1.18726938      9.78575248     -2.62882018
  H      0.48125112     12.56620797     -1.25659548
  H     -3.13621271     13.15081122      1.73246792
  O     -1.66154081      9.88605833     -2.18936777
  H     -0.94946058     12.56864851     -0.66183702
  H      2.25214610     12.82890248     -2.46350290
  O     -1.49208163     15.84366845      0.79181505
  H     -2.27024582     14.10711756     -1.87042754
  H      0.97708314     13.31380672     -3.21397669
  O     -2.42887056     13.56686509      2.24083680
  H     -1.85369048     15.35308614     -1.06022850
  H      2.92622314     15.13775966     -1.84172088
  O      1.39444198     12.54221174     -2.80988120
  H      2.59418050     13.84883050      1.13847802
  H      1.61987744     15.66319418     -2.47293158
  O      2.27953897     15.85473217     -1.79435884
  H      2.46127015     12.34692503      1.41212549
  H     -1.52879271     12.34727896      3.08236408
  O     -1.07911360     11.58041876      3.48313977
  H     -2.25923225      9.31960755      1.29004271
  H     -1.15515584     11.67990495      4.42815160
          69
 Energy    -249.53249436463673     
  O     18.33197572      9.58641510    -10.56894128
  H     18.90591083      8.80641739    -10.56865621
  H     18.23799702      3.43229828    -12.85798780
  O     13.00687748      6.82758994     -8.59516061
  H     18.72151131     10.25843869     -9.99511634
  H     15.01954564      6.47293364    -10.84038800
  O     19.24214245     11.43300772     -8.67519240
  H     12.57052069      7.28545665     -9.32296358
  H     15.76951268      6.97805069     -9.57742755
  O     12.18652881      8.12575374    -11.01678432
  H     13.78566490      6.41426656     -8.99259929
  H     19.03230701      5.90880838    -13.18772061
  O     16.13435021      9.44819678    -12.27610534
  H     19.58164139     12.31792961     -8.77799847
  H     19.66612280      7.01095039    -12.33030541
  O     19.65125221      7.16207569    -10.45096628
  H     18.48285860     11.49125166     -8.06592872
  H     17.60535647      8.55783271     -5.47501194
  O     20.90315813      6.94206477     -7.94954456
  H     11.39333219      8.13681560    -11.54622382
  H     18.12277640      9.22285837     -4.17816075
  O     17.82587923      5.02990761    -10.08297829
  H     12.88986452      7.75117471    -11.57583860
  H     17.82597166      8.63197786    -15.29608854
  O     17.21587847     11.39243093     -6.89779445
  H     16.53018455      9.17299995    -13.11376666
  H     18.22864997      7.82301736    -14.04117616
  O     14.02130121     10.24650090    -10.40971879
  H     16.88191208      9.56598558    -11.67293910
  H     15.98968798      9.05580634     -8.51677899
  O     14.83687942     10.27293027     -7.80103331
  H     20.20273588      7.10204335     -9.66144458
  H     17.24188783      8.77352267     -9.39266127
  O     18.02492215      4.35414115    -12.73623393
  H     18.98077885      6.47014138    -10.35952021
  H     19.59073613      9.36800102     -6.28752825
  O     15.35820368      6.19601526     -9.97878102
  H     20.71254932      7.82454384     -7.58390599
  H     20.02332261     10.09125210     -7.57996159
  O     19.39695338      6.80210454    -13.23376384
  H     21.79104665      6.71842962     -7.68396004
  H     13.51817074      7.54583537     -7.11244493
  O     18.10990546      9.31203217     -5.12763741
  H     16.90755944      5.33843603    -10.07566623
  H     13.20870381      7.95636177     -5.65562947
  O     17.48772317      8.28266513    -14.47573890
  H     18.10060886      4.98089481     -9.15606202
  H     14.80322465      6.68157437    -13.01552945
  O     16.59117679      8.35999117     -8.81454617
  H     17.46190393     10.77560154     -6.19830920
  H     14.97311598      8.04696869    -12.29701253
  O     20.25578162      9.36672499     -6.98726189
  H     16.33202825     11.12884143     -7.19004629
  H     19.36622935      5.87820965     -7.50120243
  O     13.88269752      7.99670853     -6.32894765
  H     14.69911081     10.12796664    -11.08536461
  H     17.92988229      5.87855028     -6.92749434
  O     14.40023698      7.26847682    -12.36002146
  H     13.31895032      9.61780681    -10.61584702
  H     16.79593032      7.61644613     -7.23023997
  O     18.55358061      5.35926853     -7.44757749
  H     14.43575990     10.33966586     -8.68242308
  H     15.73119682      7.38091780     -6.15505579
  O     16.67682487      7.29082163     -6.32249177
  H     14.37039189      9.60191081     -7.28881461
  H     16.60658704      5.27731073    -13.66787727
  O     15.96668628      5.86165420    -14.09223398
  H     17.97147248      4.50173723    -11.77686700
  H     16.46221744      6.64511933    -14.36390389
          69
 Energy    -249.53248633702907     
  O     16.36335535      9.93692690    -15.98226952
  H     16.59461549      9.61043191    -16.85746536
  H     16.96100403      5.00422693    -15.93066343
  O     15.09527121      4.73287223    -13.11651048
  H     16.39790208      9.15838301    -15.40440943
  H     16.37468380      5.04206730    -11.96819239
  O     17.25334418     13.23884651    -11.55542859
  H     15.39919176      4.76630027    -14.03364608
  H     17.09616750      4.54081766    -10.69778107
  O     19.33675724      7.75847166    -13.95427992
  H     14.26420413      5.22199660    -13.09867378
  H     17.49275151      7.66310943    -14.15513573
  O     14.75175029      6.64133382    -17.79311784
  H     17.18017944     12.82736204    -12.42748175
  H     16.33204522      6.85670977    -14.79747948
  O     16.77715110     10.35238265     -9.25588427
  H     16.42363985     13.04497713    -11.10155757
  H     14.52754765     10.26037940    -15.67765055
  O     14.72036912      8.38125041    -12.44491824
  H     19.41744742      7.90783997    -14.90819262
  H     13.67724558     10.64213569    -14.45874156
  O     17.00731025     11.48141509    -13.75832979
  H     19.30015033      8.59512843    -13.47555065
  H     16.09505140      8.15352152    -11.29646055
  O     19.11124050      5.08516431    -13.44064250
  H     14.18469181      6.21846848    -18.43247714
  H     17.12333178      7.06688115    -10.93547270
  O     12.87459472      6.51720044    -13.16581662
  H     14.16705438      7.00317386    -17.09929088
  H     13.01738744      7.14122618    -14.98811671
  O     18.75894895      4.70855964    -16.08764590
  H     16.82571200      9.47282284     -9.65192589
  H     13.25024548      8.51972081    -15.65615353
  O     16.05947760      5.26243488    -15.69502969
  H     17.62837274     10.77178753     -9.43372666
  H     19.82250375     12.23157163     -9.88679932
  O     17.12346011      5.21723726    -11.37032964
  H     15.34187319      8.14020049    -13.15127153
  H     18.50540161     12.36462646    -10.69120411
  O     16.55057600      7.69125199    -14.36486091
  H     14.54593293      9.32892518    -12.51973151
  H     18.08108998      9.14907917    -11.75558572
  O     13.62221377     10.25067022    -15.33812535
  H     16.88066002     11.10581577    -14.63906782
  H     18.95535290     10.41686480    -11.56713410
  O     16.94264365      8.01028822    -10.84969389
  H     17.58424819     10.87254695    -13.27451279
  H     15.55095763     11.48715331     -9.79909060
  O     13.20434036      7.56747681    -15.83054078
  H     18.48149401      5.03698201    -12.71350800
  H     14.46018000     12.52713786     -9.45013845
  O     19.09692089     11.73002422    -10.24734228
  H     19.33517345      6.02517662    -13.52723834
  H     18.47933054      7.80622817    -17.24208012
  O     18.62920658      9.79341028    -12.22737394
  H     13.45978451      7.21366480    -12.81896074
  H     19.11006875      6.55277790    -16.60506758
  O     14.96106609     12.16448043    -10.17566163
  H     12.06442049      6.56300158    -12.66458824
  H     15.31528552     11.28408954    -13.10863442
  O     19.21149654      7.50951623    -16.69041344
  H     18.91844556      4.76109737    -15.12648253
  H     14.45198957     11.50887468    -11.84784644
  O     14.44175162     11.11045937    -12.72647861
  H     19.27797250      3.97764913    -16.41157456
  H     16.15933757      7.75532687    -18.13605174
  O     16.91811398      8.34688342    -18.26106381
  H     15.62886386      5.60660777    -16.48603757
  H     16.95907631      8.54876936    -19.19309042
          69
 Energy    -249.53205309692643     
  O      9.84009149     10.50307045    -10.32439323
  H      9.89316452     10.80184373    -11.23869663
  H      9.59160735      7.57540829     -9.18023371
  O     13.66448124      9.91051365    -17.12070779
  H     10.32709663     11.13485799     -9.77542333
  H     12.76198324     11.73748611    -11.37351800
  O     12.47789215      7.82746360    -11.28982737
  H     12.73923441      9.66241627    -16.94073350
  H     11.64445320     12.19386515    -12.33287643
  O     14.59823685      9.81121157    -14.47426381
  H     13.87231958      9.58637317    -17.99247962
  H     16.41464894     10.13781953    -11.47037706
  O     11.45048676     11.86488971     -8.46058296
  H     11.71566658      7.71576797    -10.70821188
  H     16.36417715     11.68620798    -11.27017074
  O     12.88070761     12.53419622    -16.19545731
  H     12.83345777      8.71145634    -11.09770127
  H     17.11587692      8.35466619    -13.17682330
  O     11.99224110      8.96054485    -13.74235731
  H     14.57684499     10.75029237    -14.23465392
  H     15.74464325      9.04322100    -13.35157959
  O     15.00090830      8.08814158     -7.96197981
  H     14.40938991      9.76060322    -15.42013345
  H     15.59778832      7.66530988    -11.26578087
  O     13.46593358     10.30776228    -10.55635604
  H     12.22709148     12.41948847     -8.33261125
  H     14.18263426      7.24439846    -10.83813637
  O     12.46785951      9.31904844     -8.02567483
  H     11.70623363     11.00700324     -8.09162854
  H     15.65221575     13.73311285    -11.45082726
  O     14.26258905     14.11676783    -10.52213085
  H     13.45090083     12.67487132    -15.42818625
  H     17.05169924     14.06165428    -12.03090103
  O     10.38674582      8.02330171     -9.45308091
  H     13.22169520     11.74446233    -16.63205953
  H     10.14612045     11.52582974    -13.94495634
  O     12.46668002     12.48263892    -11.91942613
  H     12.88928689      9.25311049    -13.94945511
  H     10.88936492     10.36183201    -13.26015642
  O     16.23605643     10.83653594    -10.82935853
  H     12.06552570      8.40278856    -12.95703735
  H     14.16485114     13.47226859     -7.08216731
  O     16.38149574      8.72274508    -12.69109797
  H     15.09076976      7.77214461     -8.87810040
  H     14.62716602     12.27066014     -7.93357137
  O     15.10762544      7.24037400    -10.55357466
  H     15.38756913      7.41870749     -7.40374035
  H     13.69222193     12.51201449    -13.20306471
  O     16.37370486     13.39237049    -12.01367791
  H     14.41693503     10.47252920    -10.55427806
  H     15.18812298     12.85755651    -13.38191817
  O     10.34814923     11.14518625    -13.08188145
  H     13.17378669     10.20057955     -9.64240973
  H      9.69050292     12.69262250    -16.22600867
  O     14.04425562     13.04930925     -7.92879159
  H     13.27191455      8.79918552     -7.90670164
  H     11.15577177     12.31462143    -15.90719762
  O     14.42517346     12.48585577    -13.83793906
  H     11.79197743      8.74031325     -8.40218992
  H     16.06953614     10.89586543     -8.99508060
  O     10.22779086     12.06245550    -15.75351918
  H     14.20467768     13.83288628     -9.60089372
  H     15.50791725      9.95062481     -7.92352499
  O     15.70485162     10.87769140     -8.09910962
  H     13.50569014     13.71897608    -10.97386353
  H     10.65267500     10.23097787    -16.25045184
  O     11.11298574      9.38995527    -16.36084648
  H     10.11754591      8.90251739     -9.78252763
  H     11.28944786      9.07268312    -15.46330909
          69
 Energy    -249.53172140695790     
  O     -6.00660925      0.45318968      0.97718162
  H     -6.57203878      0.16198098      0.25224921
  H      0.15460963      4.24888982      1.51419119
  O     -5.65694433      0.68890516     -3.45472271
  H     -5.62416604      1.30017388      0.70183114
  H     -2.01624614      5.26355360      1.23732429
  O     -4.95803878      0.82719241      3.58151499
  H     -6.26279437      0.45032060     -2.74265351
  H     -1.06729524      6.44460185      0.92975850
  O      0.65617956     -1.07025752      1.28911864
  H     -5.13013079      1.43733870     -3.14457237
  H     -3.83148030      2.34730149      0.54474905
  O     -1.69653517     -0.80117208     -0.18374284
  H     -5.47139695      0.70695314      2.77280074
  H     -4.53546719      2.67814179     -0.77130729
  O     -3.90082164     -1.34381068     -3.83812058
  H     -4.46142491      0.00933388      3.70360913
  H     -1.26661409      4.41339774     -0.64708199
  O     -4.06867199     -1.57407246      0.96451774
  H      1.41704347     -1.64391878      1.27379343
  H     -0.73316198      3.31046004     -1.64244832
  O     -1.87701687      0.21397586     -2.69288217
  H      0.94682501     -0.20756728      0.93785089
  H     -4.76198892     -2.26637907     -0.66198747
  O      1.31281470      1.30896457      0.23371168
  H     -0.91489007     -1.04515972      0.32749279
  H     -4.66791216     -2.14445139     -2.20980261
  O      0.30424125      1.90557314     -2.41332131
  H     -2.48711916     -1.15718176      0.24618912
  H     -1.60524223      2.05768882      2.42734184
  O     -0.97441746     -0.56382077      3.56524695
  H     -4.03143207     -1.78586506     -4.67294824
  H     -2.06073480      2.58559638      3.80211270
  O      0.66595301      3.49185638      1.82116914
  H     -4.56512260     -0.63195314     -3.78997485
  H     -3.48464136     -2.25197319      4.39264966
  O     -1.15617153      5.49920672      0.84480197
  H     -3.87119084     -1.73863444      1.89532880
  H     -2.53481529     -1.26186155      3.67479128
  O     -4.66064462      2.70412451      0.18536907
  H     -4.71627304     -0.85422583      0.95105031
  H     -1.83285644      2.41650405      0.08693679
  O     -1.52277792      3.71521395     -1.26284171
  H     -1.78877135     -0.19499032     -1.81695065
  H     -1.95036892      0.90019657      0.43685334
  O     -5.26096824     -2.36837405     -1.48324462
  H     -2.45443518     -0.36618780     -3.20382812
  H     -4.10416977      4.22030223      1.22866519
  O     -1.31047143      2.19120468      3.34359899
  H      1.05030587      1.51908618     -0.66799574
  H     -3.66250824      4.30220443      2.69813970
  O     -3.44449023     -1.61209244      3.68744158
  H      1.15582922      2.10163001      0.76866773
  H     -6.60344439     -1.24328357     -1.42430254
  O     -2.14521888      1.79061738      0.75294968
  H     -0.42538241      1.29258892     -2.60426368
  H     -8.10537658     -0.87922235     -1.52287930
  O     -3.57718208      4.74478862      1.84441255
  H      0.85578188      1.92480970     -3.19174856
  H     -4.15178555      3.47598438      5.07080034
  O     -7.24079780     -0.50812881     -1.36678735
  H     -0.35124966     -0.77311887      2.86012359
  H     -4.24780848      2.35974644      4.00667938
  O     -3.79771519      3.19392539      4.23169761
  H     -1.02086934      0.40172606      3.60755279
  H     -3.13915046      1.62162534     -2.53092206
  O     -3.67386159      2.42206694     -2.43535916
  H      0.12132207      3.08505437      2.50913189
  H     -3.03927949      3.08772490     -2.13521964
          69
 Energy    -249.53140985105273     
  O     10.50473512      8.98738058     -8.68976748
  H      9.60851286      8.90491425     -8.37329910
  H     13.73416423     12.04550463    -13.58528828
  O     13.51973395      9.08887622    -16.52643290
  H     10.49952495      9.68253755     -9.37080559
  H     17.12678423     10.45812951    -10.86384673
  O     11.75181196      7.28050711    -10.66749499
  H     12.67838313      8.61608062    -16.47855135
  H     17.04820230      9.27292998    -11.85990274
  O     14.37764990      8.28336717    -14.06220396
  H     13.29337741     10.02657109    -16.54144575
  H     16.78811330      6.76712000    -12.52443812
  O     12.83151011     12.77492505     -7.45014211
  H     11.27654699      7.72886882     -9.95953447
  H     15.63346141      7.71094852    -12.92712443
  O     12.61855825     11.83850573    -16.39633496
  H     12.68684174      7.32077132    -10.42180442
  H     13.02961067     15.27390423    -11.52155893
  O     11.71940431      8.22188608    -13.24043085
  H     14.25188250      8.49851814    -14.99821473
  H     12.29841515     14.08108681    -10.86317272
  O     15.29340615      8.91417018     -7.67629859
  H     13.48895191      8.19417129    -13.68932428
  H     14.84019558      8.07279258     -9.25708916
  O     13.54921201     10.38038461    -10.81844818
  H     13.50072894     12.78115538     -8.15635894
  H     15.13577492      7.64575417    -10.73696261
  O     12.81544947      9.92334124     -7.29581781
  H     13.17170931     13.31962522     -6.74430299
  H     11.49886071     11.49631454    -13.43472782
  O     10.85156753     10.87507840    -10.61610545
  H     12.87313597     12.52599167    -17.00768711
  H     10.35481419     10.78781048    -14.20682212
  O     12.95770844     12.60795694    -13.74062184
  H     12.74424911     12.20239651    -15.50556495
  H     14.19139838     11.81290939     -9.97252515
  O     17.18537391     10.22490324    -11.80209018
  H     11.40950993      9.13634465    -13.19796615
  H     14.20919536     13.32375135    -10.26934796
  O     16.25449622      7.49312617    -12.21093360
  H     11.65658038      7.84275611    -12.35180562
  H     15.80832648     10.78945812    -12.74173709
  O     13.02080260     14.32115011    -11.47092298
  H     15.61043763      8.53316511     -6.86173555
  H     14.76871785     10.00546711    -13.59214671
  O     14.43432314      7.82361488    -10.09754889
  H     14.40432118      9.26906849     -7.49365062
  H     10.28962128      9.58358998    -16.07748136
  O     10.76736984     10.87239917    -13.33611232
  H     14.00534978     10.55085578    -11.65330928
  H     10.87527794     10.99596674    -16.27257434
  O     14.50164700     12.66636116     -9.62837428
  H     13.81631796      9.49961470    -10.52807078
  H     16.29250440     10.27233508     -8.60107910
  O     14.94424523     10.85967626    -13.17619696
  H     12.01736848      9.56288720     -7.70041657
  H     16.10162772     11.66709018     -9.22868199
  O     10.08740939     10.52250791    -15.97563778
  H     12.71622937     10.88285838     -7.28545318
  H     10.90100274     12.60664984     -9.99141997
  O     16.72878689     10.93820013     -9.14595230
  H     11.80628773     10.69919845    -10.63569181
  H     11.56660401     13.33383313     -8.81308625
  O     11.15425591     13.48432283     -9.67192139
  H     10.57535923     10.88740716    -11.54224542
  H     10.64597418      6.96587076    -16.05910384
  O     11.03253504      7.81961238    -15.88245966
  H     12.94921650     13.26532208    -13.03559880
  H     11.22816907      7.84598691    -14.93043169
          69
 Energy    -249.53097271550470     
  O     -1.77172701     -2.75340520     -0.16199373
  H     -1.35925057     -1.87678128     -0.15528601
  H     -1.54597196     -6.74570015      1.60402454
  O     -1.02119393     -0.19992878      6.96820183
  H     -2.72665084     -2.63056863     -0.12161390
  H     -1.26849038     -3.44170266      1.46372335
  O     -1.62689934      0.29707560      2.70310811
  H     -1.83577528     -0.61685253      7.27630461
  H     -0.72904228     -4.57622029      2.40969643
  O      1.89028511     -4.83642088      5.62093591
  H     -0.42690392     -0.92213627      6.72826633
  H     -3.04427886     -3.74327525      4.78165084
  O     -3.56047249     -1.45985902      7.43084655
  H     -2.43929391     -0.22931133      2.67886465
  H     -2.50511048     -3.70200115      3.33708112
  O      0.36924835     -2.44544824      5.93926827
  H     -1.69218300      0.87661837      3.47235586
  H      2.28782262     -5.20107690      2.25793462
  O     -0.76838852     -5.98362791      5.56877026
  H      2.61201863     -5.13188800      6.17192079
  H      3.07165009     -6.41835403      2.79723420
  O     -4.26669140      0.02311235      5.26408658
  H      2.10303773     -5.11195891      4.71538920
  H     -4.26089983     -1.52014072      1.88459663
  O     -0.50228185     -0.34505326      0.15814698
  H     -3.89353471     -0.96765557      6.65915121
  H     -3.78281393     -2.09296321      3.23017308
  O     -0.38644564     -6.36863480      2.89207427
  H     -4.20577153     -1.35247137      8.12431330
  H      1.99587139     -3.32710183      0.85197538
  O     -4.28597971     -4.94817853      1.51695135
  H      0.40035943     -2.06521529      5.04793501
  H      1.23486667     -4.57091540      0.30857816
  O     -2.15863260     -6.78083025      0.84980675
  H      0.96214021     -3.20501289      5.92405430
  H     -0.30734248     -0.83047174      3.19297987
  O     -1.03769972     -3.66408871      2.37647801
  H      0.12447301     -5.65993977      5.73885201
  H     -0.10811243     -2.35553346      3.02950255
  O     -3.32335003     -3.71453490      3.85937112
  H     -1.36242322     -5.31464304      5.93232454
  H      2.78491191     -0.91587015      1.31362548
  O      2.40066125     -5.78300136      3.03339121
  H     -3.57062546      0.68949875      5.20889875
  H      1.51040730     -1.43608903      2.01773347
  O     -3.95730419     -1.26210536      2.76218815
  H     -4.32737895     -0.36782100      4.38303355
  H     -0.90326415     -5.71612704     -0.23532740
  O      1.96920300     -4.28947144      0.87428871
  H      0.39853076     -0.61667157      0.37141594
  H     -0.79806250     -4.24032133     -0.63753022
  O      0.32255017     -1.54693598      3.35299440
  H     -0.87309967      0.02909533      0.96856933
  H     -1.72831756      2.51482378      5.47758562
  O      1.99075290     -1.42603678      1.17253654
  H      0.57557435     -6.32232602      2.86716375
  H     -1.50325477      1.01993090      5.80862018
  O     -0.28337804     -5.05740451     -0.56635981
  H     -0.64437560     -6.31217179      3.82569421
  H     -1.29120167     -3.21544293      6.22351336
  O     -1.88762913      1.63184394      5.15545856
  H     -3.60490552     -5.58121419      1.26067574
  H     -2.69188488     -2.99438517      6.84029286
  O     -2.14498742     -3.64407521      6.38154359
  H     -4.08434193     -4.67681263      2.42307456
  H     -5.29187377     -2.52458692     -0.31448693
  O     -4.55853983     -2.54730145      0.29405036
  H     -2.32530958     -7.70473690      0.67768126
  H     -4.54016491     -3.44146289      0.68258058
          69
 Energy    -249.53054291151983     
  O     -1.95238361      5.16525930      4.34200814
  H     -1.52025916      4.85937145      3.53175409
  H     -1.98226244      2.39839097     -0.90467741
  O      0.65104002      0.82646479      0.34089070
  H     -1.60390395      4.60529148      5.04666800
  H     -5.11609292      5.41887952      4.34242114
  O     -1.09283962     -0.45720419      3.42227156
  H      0.43244324     -0.09097688      0.54802621
  H     -3.65690109      4.94705437      4.13225574
  O     -3.11778931     -3.47543598     -0.99677909
  H     -0.03776476      1.14069591     -0.25682841
  H     -2.06275810      3.90527962      0.66100941
  O     -0.47922240     -1.67995177      0.99632118
  H     -0.78888698     -0.91975690      2.63003992
  H     -3.55458009      3.55331368      0.45057762
  O     -5.40908815      0.21775583      4.76337582
  H     -1.61055524      0.30625256      3.11956639
  H     -5.53714620      2.40014623      1.91223865
  O     -6.58774535      0.94085160      2.44930571
  H     -2.91404715     -2.52926990     -1.01444290
  H     -4.84081089      3.66261623      2.49421747
  O     -1.13149311      3.14949563      6.20941512
  H     -2.42601096     -3.88067394     -0.45946948
  H     -1.44642112      3.05415596      2.43182463
  O     -2.62312541     -0.76572169     -0.49748968
  H     -0.57827896     -2.63833026      1.03237822
  H     -0.00717506      3.52379760      2.12568369
  O     -4.76703068     -0.85061257      1.25446916
  H     -1.23110193     -1.35675832      0.47614262
  H     -2.68438669     -1.32968858      3.76416536
  O     -3.52835137     -4.20218411      2.52636296
  H     -4.86081340      0.91495851      5.14681018
  H     -3.93345383     -1.34973004      2.85187687
  O     -1.53340111      1.65814718     -1.34932576
  H     -4.81154470     -0.51714579      4.56995058
  H      2.47210721      2.75803561      2.02333364
  O     -4.59043879      4.67385491      4.06371987
  H     -6.22405831      0.69720742      3.32117315
  H      1.28447252      1.89159287      1.54157395
  O     -2.71844015      3.68175841     -0.01461002
  H     -7.53709717      0.90093968      2.52456646
  H      0.89070436      1.90848174      3.89073123
  O     -4.85334735      3.05906415      1.73841734
  H     -0.55148280      2.58404627      5.66775885
  H     -0.01829191      0.75170114      4.34388634
  O     -0.92549533      3.81784754      2.13880592
  H     -0.71972342      3.21984637      7.06635623
  H     -2.86014539      2.58544514      5.82735564
  O     -3.59101447     -1.65962324      3.70321222
  H     -2.34653204      0.09281614     -0.83952122
  H     -4.10107583      3.15385256      5.08117559
  O      1.56760851      2.53130725      2.22047037
  H     -3.37263425     -0.63632767      0.10071970
  H     -4.64182678     -3.52294232     -0.14121313
  O      0.40635949      1.56438728      4.65058902
  H     -5.14786606     -1.70172680      0.99516397
  H     -6.11301654     -3.96467214      0.05248916
  O     -3.70255583      2.34153330      5.42129665
  H     -5.47855468     -0.27087416      1.55040572
  H     -2.03805771     -4.36639947      1.61561673
  O     -5.41114018     -3.46063725      0.45452776
  H     -3.53656470     -3.42072062      3.09612799
  H     -0.83978948     -5.22906215      1.15568890
  O     -1.27029003     -4.38996138      1.01656429
  H     -4.26767893     -4.08586150      1.91846161
  H     -3.36874986      2.05372115      2.31274317
  O     -2.65030726      1.74093872      2.87528121
  H     -1.39221860      1.92666178     -2.25356356
  H     -2.95918823      1.86672723      3.78294295
          69
 Ord_Energy   -249.530441    
 O   -6.24077320      -9.91604519       5.54681635    
 H   -5.30938816      -9.71861649       5.58988619    
 H   -6.71612215      -9.09883308       5.78842592    
 O   -12.0344372      -10.1870375       8.92544270    
 H   -12.3594933      -10.5020514       8.07128239    
 H   -12.0353813      -9.21889019       8.87767982    
 O   -12.3156500      -7.59610796       5.75668335    
 H   -12.9008284      -8.22489071       5.32134485    
 H   -11.4649429      -7.69221210       5.30756235    
 O   -13.7682533      -9.69778824       4.35499573    
 H   -14.5987644      -9.54035759       3.91379285    
 H   -13.1312847      -9.95271969       3.66439342    
 O   -12.6793165      -11.2284184       6.43447161    
 H   -13.2446032      -10.7661238       5.80537701    
 H   -11.7724905      -11.0793047       6.11993313    
 O   -11.9744396      -13.7677555       7.27951813    
 H   -11.0274515      -13.7057533       7.47328711    
 H   -12.2832413      -12.8955793       6.98920393    
 O   -9.39692307      -9.24427128       1.97713327    
 H   -8.71756554      -9.82996845       2.35705185    
 H   -9.03110981      -8.88657475       1.17272151    
 O   -12.0521822      -12.7602005       10.0134935    
 H   -12.2363100      -13.2537107       9.20638466    
 H   -12.1751842      -11.8272715       9.78307819    
 O   -9.87567997      -8.31921291       4.58412600    
 H   -9.71776485      -8.41022205       3.63767171    
 H   -10.0222139      -9.22217560       4.90574551    
 O   -8.01598835      -11.4738512       7.02328539    
 H   -7.31026745      -10.9758835       6.59350109    
 H   -8.35151863      -10.9607029       7.77304363    
 O   -9.28919125      -10.3789244       9.25188065    
 H   -10.2427406      -10.3013306       9.09011078    
 H   -9.17796707      -11.1552563       9.81327152    
 O   -8.91058445      -15.1333647       5.42498636    
 H   -9.83861351      -15.2873487       5.20950651    
 H   -8.90871525      -14.8041077       6.33326721    
 O   -9.20140839      -13.7855806       7.87746859    
 H   -9.19120979      -13.6684294       8.83423901    
 H   -8.71028519      -13.0310745       7.51752377    
 O   -9.41090870      -12.8976068       10.5745554    
 H   -10.3813190      -12.8866816       10.4779291    
 H   -9.22339916      -13.2557049       11.4376125    
 O   -10.6972990      -12.8738365       3.39822507    
 H   -9.79282951      -13.1540880       3.20932221    
 H   -11.1326399      -13.6144543       3.83929133    
 O   -11.7288780      -15.0584402       4.88235855    
 H   -11.9155159      -14.6653624       5.75217628    
 H   -12.4000778      -15.7178936       4.72810793    
 O   -11.7193508      -7.53210068       8.46568489    
 H   -10.7706060      -7.37896538       8.50936413    
 H   -11.9681396      -7.47366285       7.52967453    
 O   -10.1919851      -10.9563189       5.40472794    
 H   -9.40186691      -11.1890373       5.90744495    
 H   -10.2955980      -11.5928488       4.68570662    
 O   -7.71602011      -7.79613400       6.24449015    
 H   -8.06148243      -7.65749264       7.13407946    
 H   -8.48218536      -7.84265804       5.65445614    
 O   -7.98522615      -13.6600618       3.33709240    
 H   -7.50726223      -14.2430210       2.75214553    
 H   -8.21430397      -14.1864004       4.12328148    
 O   -11.9302597      -10.5101948       2.49509931    
 H   -11.6088982      -11.4007320       2.68938899    
 H   -11.1457558      -10.0100212       2.24073696    
 O   -7.52505541      -10.8450956       3.15103078    
 H   -7.60497332      -11.8016090       3.24550343    
 H   -7.05711365      -10.5294380       3.93333530    
 O   -8.80582047      -7.67125082       8.85908794    
 H   -8.51818752      -7.23115778       9.65603542    
 H   -8.91498375      -8.60891914       9.08525372    
          69
 Energy    -249.53012632109352     
  O     -0.28646927     -0.23051341      2.11776672
  H     -1.17907616     -0.51296364      2.37521335
  H      0.96932626      4.67608730      1.41231556
  O     -5.60481785     -2.88161020      3.41382198
  H     -0.40434240      0.49653154      1.49501557
  H     -2.28070410      5.14570485      5.67357932
  O     -4.38330936     -1.86900853      1.03874907
  H     -4.91539784     -3.51284189      3.65215481
  H     -2.24972133      4.43434948      4.30114828
  O     -2.20314833     -2.87389602     -0.44478112
  H     -5.39220844     -2.60881995      2.51276018
  H     -2.30498293      2.57483693      5.76935347
  O     -1.00451709      1.86973990      0.47922783
  H     -3.79245832     -2.37273851      0.46620549
  H     -1.55205055      1.25202745      5.47222808
  O     -2.09254285     -0.22479766     -1.10548947
  H     -3.82246667     -1.54830114      1.76388515
  H     -2.93893801      3.93347225      2.06791572
  O      0.93216234     -2.61438722      2.67778259
  H     -2.10731959     -3.36999372     -1.25393244
  H     -1.52078139      4.52568406      2.17166546
  O      0.45600954     -1.90535587      5.44737762
  H     -2.05733309     -1.93968286     -0.67626312
  H     -3.87460238     -0.40546355      7.90383302
  O     -2.31409625     -2.31778966      5.38230731
  H     -0.47599244      2.62551247      0.76336574
  H     -3.29002086      0.27381149      6.64645879
  O     -3.32974808     -4.53000959      4.02546412
  H     -1.90952905      2.04295889      0.77920708
  H     -0.23142948      3.81819437      4.73796330
  O     -3.63953083      2.35871703      1.30138826
  H     -3.01332310      0.05727128     -1.04030083
  H      0.51336025      2.48914971      4.52445701
  O      0.28631534      4.06332260      1.67095451
  H     -1.57759739      0.48421201     -0.70095719
  H     -2.60079450     -1.39843171      3.82236762
  O     -2.04254566      4.32691138      5.24706306
  H      0.58922708     -1.74440772      2.40895036
  H     -3.27897354     -0.10364627      3.27848941
  O     -2.38125789      1.61301774      5.81987305
  H      1.78949066     -2.70826734      2.26996148
  H     -4.77657510     -0.37633293      0.12528900
  O     -2.40219900      4.56576185      2.56271885
  H     -0.48418500     -2.12568433      5.51710419
  H     -5.64894954      0.42336406     -0.86908651
  O     -3.77320176     -0.50863034      6.96067586
  H      0.73744315     -2.26136384      4.59632753
  H     -5.28941660     -0.63907695      5.69376519
  O      0.53542522      3.42969436      4.30066008
  H     -2.88894970     -1.85208015      6.00215446
  H     -5.82842272     -1.37483512      4.43839154
  O     -2.75959388     -0.87755366      3.02455171
  H     -2.74207877     -3.13588991      5.09791319
  H     -0.63329066     -3.62157756      2.33292671
  O     -4.81167514      0.43308711     -0.41220988
  H     -2.68397778     -4.37391682      3.31236885
  H     -1.70361407     -3.63489384      1.22492297
  O     -5.83954077     -0.52896882      4.91047784
  H     -3.33853121     -5.46974611      4.18614882
  H      0.28374831     -0.11877701      5.16105765
  O     -1.49195849     -3.99272780      2.09541711
  H     -3.91461467      2.04132291      2.17586727
  H     -0.06175766      0.50368315      3.80227789
  O      0.02333780      0.71337562      4.74187974
  H     -4.12184733      1.82632569      0.65847572
  H     -3.65341110      1.54511527      4.48134097
  O     -4.25850432      1.34076198      3.75705562
  H      0.46160331      3.82250305      2.59839310
  H     -4.95517858      0.76586595      4.11220218
          69
 Energy    -249.52996923008931     
  O     14.94332400     11.89530990    -11.36009426
  H     14.13343704     11.82718945    -11.88046671
  H     17.22334472      4.28804857    -14.86251160
  O     15.89494486      7.42899679    -15.42745796
  H     14.81498736     11.36135508    -10.56600752
  H     16.99500433      7.67250609     -9.39351231
  O     14.16408610      5.68700344    -10.37243699
  H     16.73033479      7.88682369    -15.61590770
  H     17.77364510      8.93684552     -9.85176049
  O     17.02442090     11.44044406    -15.30382228
  H     16.09796566      6.50459058    -15.24805740
  H     15.84816206      8.17905762    -13.75040894
  O     10.90062668      6.34861046    -13.38448120
  H     13.95091077      6.60931626    -10.57322442
  H     16.36267214      9.28261104    -12.77084166
  O     13.33089222      8.34651186    -15.57451999
  H     13.58836331      5.16048677    -10.93782840
  H     11.89444728     12.17329389    -13.12036929
  O     13.78644806      8.33739647    -11.11310197
  H     16.06512890     11.27769314    -15.35717262
  H     12.34829058     10.69812065    -13.06012117
  O     19.41673293      7.99534977    -13.22144375
  H     17.20961114     12.17575563    -15.88169023
  H     13.36019981      4.31993732    -13.75969973
  O     11.93998223      5.93973419    -16.01631549
  H     11.08680705      6.20725037    -14.32157377
  H     14.66862320      4.47911940    -14.57350912
  O     17.42534032      6.17596903    -12.29800484
  H     11.12417189      7.27188536    -13.21344795
  H     13.82246385     11.31211513    -14.57910879
  O     18.19247532      8.82398624    -15.60553488
  H     12.77592824      7.60949652    -15.85613361
  H     13.96390007     10.12462014    -15.54789558
  O     16.52052367      4.81935825    -14.49602955
  H     14.24030698      8.00946752    -15.58434424
  H     15.80038014      5.69579619     -9.85321068
  O     17.03133690      8.63289507     -9.31531390
  H     14.54903588      8.35924538    -11.71444053
  H     16.92188609      5.15880717     -8.92898269
  O     15.90581087      8.43394665    -12.82034759
  H     13.98588922      8.94270372    -10.38913800
  H     11.79901850      5.11352456    -12.51339956
  O     12.66694972     11.61612745    -13.06417640
  H     18.89322313      7.23845879    -12.93009941
  H     11.76781756      3.70482290    -11.88193057
  O     13.71095423      4.40478101    -14.65532914
  H     19.43281308      8.58943314    -12.46195651
  H     18.40884990     10.26671589    -11.55258737
  O     14.35495702     10.97454839    -15.30846469
  H     11.61485225      5.47259189    -16.78080051
  H     19.67924492     10.40454968    -10.68093948
  O     16.74329477      5.78944219     -9.62079478
  H     12.60880619      5.36625296    -15.59841489
  H     12.61595398      8.68831156    -12.39403744
  O     12.35850174      4.40570935    -12.14668516
  H     17.31142834      5.92224338    -11.37466990
  H     12.53682851      8.71897970    -13.95941970
  O     19.03721479      9.77285197    -10.99563898
  H     16.91150087      6.99009380    -12.41686366
  H     14.55235394     10.25147413     -8.24779561
  O     12.05707353      8.93856985    -13.14656254
  H     18.70129114      8.60231791    -14.81155396
  H     15.60020652      9.59137675     -9.17649544
  O     14.76126167     10.08818015     -9.16328474
  H     17.92938350      9.74847661    -15.53284724
  H     17.19743981     11.21332482    -13.49731754
  O     17.16972262     10.94253469    -12.57171393
  H     16.86583567      5.21279767    -13.67694183
  H     16.40767566     11.37065418    -12.15025560
          69
 Energy    -249.52994057637619     
  O     12.63438232     12.22918436    -16.10699812
  H     13.26399333     12.71666556    -15.56666618
  H     15.62132461      6.89655995    -17.43087976
  O     14.97026182      7.11791422    -13.70204587
  H     12.03960076     11.75966359    -15.50379886
  H     18.50659527      8.44239183    -13.51468210
  O     15.70338772     10.60834109    -10.88140280
  H     14.94038678      7.96040911    -14.18131366
  H     17.75957478      8.26977126    -12.16303783
  O     17.16176164     12.38671852    -14.64123059
  H     15.44685762      7.28756077    -12.87858705
  H     17.27151261     11.02434685    -15.75986206
  O     12.98759424      8.56987284    -17.09957663
  H     16.56910906     10.97134567    -11.10201518
  H     16.85435138     10.25362302    -17.08724067
  O     13.42747873      9.91584723     -9.44758493
  H     15.14216322     10.80290076    -11.64917437
  H     14.15685369      9.27280384    -15.78517873
  O     12.33942976      7.40084231    -12.83578854
  H     17.44253110     12.14443060    -13.75033863
  H     15.63237411      9.70302992    -15.48982238
  O     14.08122910     11.10491564    -13.01139812
  H     16.32129974     12.85188132    -14.55625604
  H     11.08999178     10.59481582    -13.49698446
  O     16.41900619      6.39307769    -15.98748977
  H     13.65932189      8.00872442    -17.51040763
  H     10.88565769      9.79147780    -14.78136185
  O     13.64674281      7.13466990    -10.24592861
  H     12.93428773      9.38218291    -17.62221299
  H     11.70851986      8.09968816    -15.96960800
  O     18.65029018      8.02278920    -15.35191404
  H     13.39536147     10.25999258     -8.55826673
  H     10.31193186      7.47683535    -15.74398157
  O     15.14581445      7.21872294    -18.21795408
  H     14.27462205     10.20253410     -9.82665289
  H     18.93010020     11.78150444    -11.73818512
  O     18.42060044      8.80161865    -12.62375329
  H     11.80017209      7.46607808    -13.63332234
  H     18.28283027     10.49641548    -12.30453185
  O     17.25067282     10.16556272    -16.20827966
  H     13.23882381      7.21284307    -13.14240043
  H     16.03084483      8.77148301    -11.12664161
  O     14.78340544      9.48358845    -15.08383127
  H     13.24760472     10.77033364    -12.65724658
  H     15.37605390      7.41268099    -10.82540689
  O     10.98290507     10.69232649    -14.45058565
  H     14.32127973     10.54698306    -13.76683826
  H     14.98000512     10.44010803    -18.56402189
  O     11.02283510      7.93362397    -15.30074721
  H     15.89450434      6.43856657    -15.17700927
  H     15.66587337      9.05859837    -18.54239385
  O     18.11132440     11.42932217    -12.07775551
  H     17.25046663      6.83879543    -15.78275144
  H     12.21708904     10.00031484    -10.93674757
  O     16.13302647      7.82084936    -11.27019083
  H     13.06552044      7.06858332    -11.01324206
  H     11.99902219      9.04858092    -12.14101946
  O     15.84246731     10.00787644    -18.53803183
  H     13.47570768      8.00288706     -9.86071779
  H     14.32568314     12.67887517    -13.73075962
  O     11.86219077      9.95788287    -11.83236455
  H     19.51093639      8.00038716    -15.76281350
  H     14.25126681     14.22437544    -13.77751341
  O     14.51808788     13.45887597    -14.28090033
  H     18.19696104      8.81641937    -15.69058614
  H     12.69590324     11.45717926    -19.12402082
  O     13.15497182     11.00584374    -18.42142509
  H     15.22237761      6.53770501    -18.88066820
  H     12.98122969     11.50895867    -17.60361767
          69
 Energy    -249.52968975473112     
  O     12.25963612     11.05826318    -14.80315823
  H     12.24249273     10.21415576    -15.27916459
  H     14.71155935      5.57485717    -13.85742953
  O     15.38634180      6.78147666    -12.63852515
  H     13.03529719     11.52608120    -15.12799950
  H     14.85443414      9.70749030    -13.78157048
  O     17.98225082     10.37764806    -12.76974074
  H     15.20789972      7.49270621    -13.27620379
  H     14.03384436      8.79671759    -14.76203381
  O     16.38670527      9.87227930    -16.39060660
  H     14.91496792      7.02662631    -11.83326576
  H     11.71298458     10.78435277    -13.17161045
  O     11.67964597      6.29765834    -14.49874771
  H     18.22124753     10.60519681    -11.86240387
  H     10.59581712     11.00588046    -12.12617356
  O     15.98056278     10.48485471     -8.98804277
  H     17.96675029      9.41049404    -12.83054785
  H     18.36548525      7.68269204    -11.08248807
  O     13.99103591      7.81153873    -10.46077115
  H     15.97435862      9.43207987    -15.62879655
  H     18.54814861      8.83948406    -10.07953462
  O     15.39299454     11.34111790    -13.01741964
  H     17.20204541     10.30450765    -16.09189654
  H     12.45078776      7.59974360    -11.53523182
  O     15.92096442      5.65741625    -16.74316910
  H     10.86245299      5.80776159    -14.53342334
  H     11.56558643      8.65606223    -12.22664263
  O     16.10122940      7.64054062     -8.62249440
  H     11.68884753      6.76814166    -13.64506282
  H     19.58243148     10.86399539    -15.52771297
  O     17.93111026      7.37392871    -15.70428441
  H     15.95137780      9.55753502     -8.72081331
  H     18.51838528     10.84499422    -14.41595366
  O     14.30087466      5.17878889    -14.63867633
  H     15.19272455     10.63447371     -9.52644792
  H     17.11697869      7.23280193    -12.74552765
  O     14.87239493      8.88733080    -14.28968760
  H     14.62703216      7.64897436     -9.75310698
  H     18.12726480      7.47438488    -13.88355778
  O     11.42569378     10.55821246    -12.26904727
  H     13.97687367      8.76992220    -10.59917276
  H     18.98075868     11.35675523     -9.51471826
  O     18.34701534      7.89785289    -10.14093557
  H     16.32203127     11.07602346    -12.95142525
  H     17.56225800     10.75513936     -9.66110076
  O     11.75841821      7.71123893    -12.19876904
  H     15.26719654     11.79925764    -13.85626325
  H     15.26804879      8.70016195    -17.49178424
  O     18.65118137     10.99638306    -15.36578992
  H     15.33236563      5.44394419    -15.99701688
  H     15.05032940      7.17716502    -17.45331122
  O     17.98862874      7.61074320    -12.93603294
  H     16.07012696      4.84268487    -17.21566188
  H     12.96713204     10.64986826    -11.20403963
  O     18.45157784     10.78001015    -10.05859298
  H     16.28256502      7.09691680     -7.86063102
  H     14.43360168     10.92918305    -11.58043141
  O     14.62119185      8.01138277    -17.68573837
  H     16.90995781      7.64187298     -9.16510524
  H     15.32359533     11.38702944    -16.07217243
  O     13.87028201     10.58696475    -10.87003630
  H     17.31431643      6.70822876    -16.03804662
  H     15.01266498     12.88849700    -16.23061436
  O     14.82623161     12.12527005    -15.68851819
  H     17.64364418      8.19851475    -16.10463374
  H     13.20143583      8.31678258    -16.62205689
  O     12.60486832      8.55087202    -15.89486817
  H     13.38052624      5.46625841    -14.62501995
  H     12.22415567      7.73965937    -15.53668454
          69
 Energy    -249.52852185487353     
  O     17.00245943      9.39575013    -12.10933768
  H     17.25793515     10.31671493    -11.97142147
  H     16.84919289      3.82937004    -12.35296872
  O     17.72729594     11.98778135    -11.37638874
  H     17.78217984      8.83676518    -11.97665767
  H     14.75359062      5.89834936    -10.03819102
  O     14.80183393      8.04093312    -13.08481158
  H     18.38642805     11.73443966    -10.70341739
  H     15.54685329      7.06098545     -9.42088497
  O     19.03551574      7.63827032    -11.50312676
  H     18.07873175     12.74329438    -11.83959843
  H     18.77834879      6.60262189    -13.06358554
  O     20.73473885      8.71648156     -9.51153707
  H     15.12860508      7.49310183    -13.80910415
  H     18.35626324      5.12987719    -13.20277821
  O     17.98510803      5.55506320     -9.95255103
  H     15.56185773      8.55644263    -12.77757734
  H     17.77398278     11.63079037     -6.29230279
  O     11.57132268      7.38743858    -10.21543771
  H     19.71599312      8.04686315    -10.95599439
  H     17.39266633     10.32102921     -7.01783107
  O     15.81828456     12.21049978     -9.21535421
  H     18.63584216      6.94041062    -10.96213395
  H     16.12520113      6.24635474    -15.84915965
  O     12.79991840      9.54826534    -11.74791787
  H     21.66118542      8.55777363     -9.35219323
  H     16.92883379      6.21659707    -14.52739693
  O     13.72365077     10.46680595     -9.33923394
  H     20.24032187      8.15373010     -8.88724355
  H     16.33984742      9.00747172    -10.47740924
  O     12.39793180      8.64706874     -7.84311066
  H     17.99678580      4.83343239    -10.59284846
  H     15.16368541      9.35594483     -9.52335624
  O     17.76937806      3.70145477    -12.05907451
  H     17.06047756      5.67042235     -9.68849706
  H     19.88322833     10.37320716     -9.42256140
  O     15.36296099      6.11294588     -9.32142437
  H     10.64529477      7.16554475    -10.14774568
  H     18.88363160     11.20926999     -8.57896458
  O     18.44907215      5.95368336    -13.69810410
  H     11.83433366      7.74538964     -9.35343741
  H     13.85111245      7.58809124     -7.03363857
  O     17.63258652     11.25257736     -7.15660977
  H     16.39112964     11.96188629     -8.47967346
  H     14.85319464      6.54423226     -7.53132697
  O     16.03062438      6.27092969    -14.90085444
  H     16.38274555     12.21595420     -9.99750737
  H     12.88055212      6.36544995    -11.10156121
  O     15.92984406      8.77897726     -9.63550660
  H     13.43508412      9.11232637    -12.33120451
  H     14.06785396      6.72774673    -12.02961494
  O     19.37590693     11.19395402     -9.40919514
  H     12.26477326      8.84155316    -11.36821212
  H     18.46590661      7.58272945     -7.52642134
  O     14.63311761      7.09290174     -6.76552095
  H     14.35625431     11.19940232     -9.31747637
  H     18.83429181      6.46105991     -8.52888112
  O     13.66901845      6.00395099    -11.52262389
  H     13.41162326     10.32644071    -10.24673158
  H     16.19795606      8.10079530     -6.73869154
  O     19.21067743      7.13716551     -7.94968641
  H     12.87293473      9.36154331     -8.30496422
  H     16.70150413      8.72209631     -8.04430423
  O     16.93197433      8.61012865     -7.10761028
  H     11.85644045      9.06628155     -7.17841896
  H     14.62715422      4.69772690    -12.45889223
  O     15.28518601      4.25009344    -13.00669637
  H     17.95852933      2.77104904    -12.14480992
  H     15.44498961      4.84172252    -13.75279920
          69
 Energy    -249.52848841775747     
  O     17.90180184      7.99912595    -15.80115997
  H     18.39729546      8.11767724    -14.98364810
  H     17.80397210      9.36695846    -16.96753527
  O     14.80041499     10.30860964    -11.42158333
  H     17.05107285      7.62414932    -15.53802592
  H     14.98342700     10.68681519    -18.99904793
  O     17.62595885     15.48634169    -13.70294331
  H     15.43513966      9.66594687    -11.76675787
  H     16.12506881     10.60531171    -17.95201705
  O     15.35165373      7.37238068    -14.74237545
  H     15.24810566     11.16389385    -11.35934498
  H     18.48068332     14.07594447    -12.66649904
  O     13.04507233      8.78218918     -9.98849720
  H     16.70699915     15.40383355    -13.40442299
  H     18.97460647     12.61241158    -12.71595881
  O     14.72133687      6.63236093    -10.90476039
  H     17.87244606     16.39960066    -13.57111063
  H     14.04248553     13.43651529    -15.13391894
  O     16.40945361     11.51265769    -14.25311967
  H     14.99075544      8.20118457    -15.09305487
  H     13.22676148     12.68211995    -14.04845820
  O     12.96842830     10.85418385    -13.52842244
  H     14.61659767      6.88051502    -14.35643828
  H     18.15589433      8.45952404    -12.79207465
  O     16.45163936      8.21618204    -12.33466664
  H     13.67029206      9.39753316    -10.41050676
  H     19.62369027      7.98249865    -12.71974739
  O     19.16785773     11.25140419    -13.95491918
  H     12.81941023      9.15632647     -9.14108999
  H     12.60227018      5.50431470    -13.54079943
  O     14.59425010      9.87547340    -15.54382124
  H     14.22716516      6.33234548    -11.67857815
  H     12.66303505      6.98862297    -13.11028424
  O     17.70514426     10.15264107    -17.52583558
  H     14.13075159      7.24069391    -10.44326494
  H     14.43312905     14.61328102    -13.32215979
  O     15.19759996     10.87902591    -18.09126163
  H     16.17287622     11.91717010    -13.41044210
  H     14.44055288     15.76126445    -12.28522728
  O     18.67162351     13.30778793    -12.11486975
  H     17.36610126     11.38466300    -14.23306902
  H     17.95645673     14.64518219    -15.37801944
  O     13.53840121     13.55496042    -14.31757450
  H     13.57390484     10.70631989    -12.78831535
  H     17.10306666     13.91001416    -16.42205012
  O     19.03406777      8.56071205    -13.19741238
  H     13.40329865     10.47996061    -14.30914286
  H     15.61948475     13.54935532    -11.89955418
  O     13.20678731      6.21206639    -13.33366359
  H     16.00753672      7.62347775    -11.71042829
  H     17.00140797     12.87569807    -11.68054657
  O     15.00672884     15.13934190    -12.73432739
  H     16.11677826      7.96861292    -13.20902365
  H     15.83144838     12.57261212    -15.61780500
  O     18.01253901     14.15961833    -16.20913139
  H     19.25198228     10.31443505    -13.73694305
  H     15.28029906     12.44417365    -17.05751550
  O     16.04528167     12.71223414    -11.68466015
  H     19.47965972     11.40043732    -14.85682234
  H     12.07159164      8.52086134    -11.61537190
  O     15.43717342     13.07842234    -16.34684827
  H     14.65353928     10.13668376    -16.47039516
  H     12.02435454      9.27007618    -12.95924886
  O     11.83044865      8.42009094    -12.54525305
  H     15.29053608     10.36395725    -15.07584673
  H     19.10316184     12.83287579    -16.48597090
  O     19.65291802     12.03508950    -16.59201039
  H     18.40371885     10.76506663    -17.27323896
  H     20.41675967     12.29155901    -17.10158235
          69
 Energy    -249.52823327102294     
  O     14.35912070      6.78044105    -13.60205479
  H     15.28939615      6.63031407    -13.38471553
  H     17.23340675      6.92884901    -14.17942483
  O     18.21450828      8.91613244    -11.87791870
  H     13.88830936      7.00344824    -12.78789772
  H     16.55535935     11.42377402    -16.71820094
  O     19.34444807      9.57904625    -16.35561855
  H     18.23913346      8.67650584    -10.94359478
  H     18.02945993     10.99761802    -16.48476165
  O     11.14113515      8.69390001    -15.56512733
  H     17.53954133      9.60415088    -11.97345216
  H     14.84653343      8.47931150    -14.05625183
  O     15.33498110      8.82957005     -8.78689223
  H     20.17498563      9.52961163    -16.82038148
  H     15.99833482      9.00269302    -14.92798019
  O     13.05776559      7.70795353    -11.34509322
  H     19.54979418      9.82881842    -15.43592580
  H     12.54744363     11.31647930    -13.60261112
  O     16.30021123     10.85396037    -12.39257003
  H     10.26564387      8.68709373    -15.94267667
  H     11.82467520     12.34433965    -12.70555962
  O     15.21888572      7.93189717    -17.80553119
  H     11.02988978      8.67258927    -14.59763754
  H     17.22652295      6.49842512    -10.09682584
  O     14.28305199      6.21434122     -9.34446370
  H     14.86339742      9.42797048     -9.37952916
  H     16.87409356      5.95047796    -11.49553048
  O     17.20415599      7.87709675    -15.82508829
  H     14.87887194      7.98004072     -8.84012241
  H     11.26170088      9.78692334    -12.71040762
  O     13.30274532      6.96429657    -16.17558590
  H     13.34451683      7.13199052    -10.62553671
  H     11.58603891      8.33715092    -12.31024252
  O     17.13725329      6.71837168    -13.24101513
  H     13.44463175      8.57994650    -11.17970786
  H     19.20256509     11.20070500    -13.71883460
  O     17.38033427     11.68059855    -16.28318161
  H     15.92071155     10.33662001    -13.12153856
  H     19.32858184      9.79423743    -13.09794511
  O     15.26683666      9.29178408    -14.36834738
  H     16.80036833     11.57568191    -12.79333997
  H     17.01945153      8.42183882     -9.02601542
  O     12.21069133     11.47176528    -12.70439102
  H     15.15100200      7.51154615    -18.65858876
  H     18.42209240      8.14688307     -8.43082696
  O     16.68424178      5.84394958    -10.55556354
  H     14.50789936      7.55971761    -17.25222219
  H     14.25668052     10.91153431    -16.82281674
  O     11.00300714      8.87035864    -12.86676750
  H     14.05698437      5.46186866     -8.80500889
  H     15.03962698      9.83935928    -17.60694192
  O     19.68439511     10.36736619    -13.79001492
  H     15.11648702      5.99630830     -9.79978550
  H     13.38584761     10.76249477    -11.37798565
  O     17.90873348      8.08144968     -9.23129107
  H     16.61751821      7.81878815    -16.59075245
  H     14.90548836     10.53082844    -11.32795082
  O     15.00604180     10.78492094    -17.41562557
  H     17.97408129      8.40176755    -16.08076283
  H     17.66045644     12.34927394    -14.73192178
  O     14.07236871     10.28273877    -10.89936267
  H     13.64425397      6.74792164    -15.29665314
  H     18.09039843     13.55825175    -13.86445887
  O     17.89403173     12.62672882    -13.82577215
  H     12.50520782      7.48659248    -16.02837616
  H     13.88354437     10.23719082    -14.97325389
  O     13.08868586     10.73014258    -15.23403259
  H     17.53375280      7.46736163    -12.77189211
  H     12.41737792     10.07552628    -15.46812767
          69
 Energy    -249.52813838641885     
  O      1.01081349      0.71596870      4.65980476
  H      0.06914489      0.77467209      4.89280816
  H     -1.94424971      3.91123120      1.20993689
  O      1.45888073     -0.13333644     -2.86527878
  H      1.49798012      0.81072958      5.47497992
  H      1.03803039      2.18469327      1.77163429
  O     -3.21181722     -1.34842152      5.43764521
  H      0.73610205      0.36334501     -2.46274512
  H      0.75641633      2.02746970      3.28698153
  O     -0.47149513      1.05139863     -1.06723621
  H      1.25322208     -1.06513370     -2.71210604
  H     -1.55917229      2.44110615     -0.80993048
  O      0.96803822     -2.78130937     -1.91962879
  H     -4.09029654     -1.09529819      5.12089061
  H     -2.28131412      3.67555292     -1.39135926
  O      2.78613410     -2.17292195      0.02793028
  H     -2.69210444     -0.53628526      5.45616451
  H     -2.52010450      0.94244771      1.78814550
  O     -2.97395861      3.52243849      4.48380834
  H     -0.85312344      0.17034090     -0.94194094
  H     -1.05868586      1.33299269      2.18985888
  O     -4.61098964     -2.24928984      2.11646996
  H      0.30949391      1.10154491     -0.49869133
  H     -0.61837284     -2.08752385     -1.21047470
  O      3.67072019      0.21311144     -1.32291131
  H      1.12899615     -3.65051648     -2.27681830
  H     -1.17751549     -1.82052382      0.20707397
  O     -5.03094443      1.86213680      3.34976242
  H      1.60682689     -2.65022490     -1.19664482
  H      0.76019810     -1.42576245      2.23825498
  O     -5.64540410     -0.60422981      4.23405339
  H      2.51217732     -1.89478835      0.91024909
  H      1.54013983     -0.51011864      3.20471547
  O     -1.72946552      4.10333666      2.12906061
  H      3.24708747     -1.41967345     -0.36292228
  H     -2.12155172      1.90566061      5.03483227
  O      0.47628162      2.49950301      2.49404708
  H     -3.17566693      4.33726650      4.93635784
  H     -1.83522925      0.77654915      4.04286338
  O     -2.16636607      3.16833177     -0.59149517
  H     -2.56821769      3.77119015      3.63408143
  H      2.54669752      0.94956360     -0.04310213
  O     -1.73246710      0.64686157      2.26334988
  H     -3.93577076     -2.74336031      2.59342834
  H      1.75882600      0.35476424      1.15610814
  O     -1.29426932     -1.59715437     -0.72811254
  H     -5.04079550     -1.69719331      2.78121283
  H     -2.52785621     -4.19830722      4.22127363
  O      1.61628561     -0.98905252      2.37230578
  H      4.44237402      0.49512875     -1.80556470
  H     -2.71778489     -2.67635291      4.43144710
  O     -1.72270655      1.02919638      4.97371739
  H      2.94718731      0.12379923     -1.96963300
  H     -1.28354445     -1.04138570      2.09854870
  O      1.81353621      1.11712096      0.56016248
  H     -4.76002275      1.80417263      2.42163684
  H     -1.40976672     -2.51831950      2.58407264
  O     -2.49983711     -3.35886232      3.77102336
  H     -4.40663462      2.45796562      3.77706334
  H     -4.27680193     -1.47856133      0.50675176
  O     -0.92119031     -1.93614701      1.98983549
  H     -5.45817625      0.30242062      3.93073527
  H     -3.17584506     -1.26105422     -0.56389472
  O     -4.03873853     -0.94826135     -0.26956467
  H     -6.56042186     -0.61965834      4.50095051
  H     -3.49189438      2.12822746      0.24360966
  O     -3.95418332      1.51644113      0.82657551
  H     -0.86049271      3.70226361      2.27954755
  H     -4.06802628      0.67371343      0.35660432
          69
 Energy    -249.52793979646015     
  O     13.30691778     13.30379470    -14.36566492
  H     12.99328073     14.20283249    -14.32461930
  H     16.37597004      5.76125620    -12.07726471
  O     18.68824163      7.98571885    -11.75244488
  H     12.69449670     12.81713556    -14.95030653
  H     17.51867736     11.71102999    -15.00865758
  O     15.56747005     10.10926224    -12.12542753
  H     18.68746240      7.61907166    -12.64548674
  H     18.38904385     11.13173304    -13.87530526
  O     11.68685634     11.79199133    -15.86827690
  H     18.62937370      8.94379294    -11.84513961
  H     13.09198414      9.90761805    -18.22200270
  O     13.28999565      7.87658633    -15.47721216
  H     15.54675194      9.83185453    -13.05580837
  H     13.83470180     11.25316358    -18.23685684
  O     13.45284300      6.56254774    -13.04949753
  H     15.28001122      9.35160826    -11.59814278
  H     14.68728084      8.89377970    -15.04184756
  O     16.92123652      6.47067466    -10.36925726
  H     12.07115763     11.48596904    -16.70366656
  H     16.22129266      9.14763920    -15.19952983
  O     15.64979587     12.12133627    -15.41837922
  H     11.42793956     11.00274058    -15.37876613
  H     16.09857765     12.57102557    -18.58448579
  O     18.34125150      6.65594479    -14.26141123
  H     13.31944981      7.88423581    -16.44194272
  H     15.68959125     12.01537511    -17.20144536
  O     14.56109618      7.88754847    -10.82974549
  H     12.60306749      8.48969943    -15.17584758
  H     12.32534427     10.08421808    -11.06788906
  O     16.18825984      9.03881725    -18.26920412
  H     13.46674491      6.92800768    -13.94641884
  H     12.97867138      8.83300191    -10.44549767
  O     16.15645966      5.62592481    -13.00774040
  H     12.54709577      6.68695306    -12.74032059
  H     18.38723961     11.44328497    -11.33843226
  O     18.33112074     11.21923434    -14.83485448
  H     17.35610520      6.00940573     -9.65766548
  H     17.24216814     10.62321782    -11.98028290
  O     12.96173280     10.85787563    -18.12527047
  H     17.59213968      7.03679451    -10.79246522
  H     13.93971874     10.93780103    -12.30089053
  O     15.41998988      9.45046525    -14.75258457
  H     14.92037585     12.62644128    -15.03998584
  H     13.09090993     12.03001243    -12.99175302
  O     15.66021360     11.83999298    -18.15656258
  H     15.48095831     11.19096237    -15.20257056
  H     18.15496727      9.60758501    -15.63852564
  O     12.13088314      9.28432054    -10.56280488
  H     17.52115810      6.27463006    -13.90058779
  H     18.07965326      8.04950123    -15.43948257
  O     18.20092692     10.78843357    -12.00677288
  H     18.90026071      5.92021919    -14.50035559
  H     12.05627073     10.10375493    -13.56471198
  O     13.03072937     11.23103409    -12.45450257
  H     14.21581268      7.42232773    -11.60609721
  H     11.13809880      8.86034499    -13.57529618
  O     17.80292230      8.78123609    -16.00479965
  H     15.32872613      7.38970924    -10.52226220
  H     10.07799923      7.17444981    -11.86723131
  O     11.52433989      9.53732531    -14.14328559
  H     16.83574024      8.86935377    -17.57182265
  H     11.24491342      8.14132566    -11.55029599
  O     10.89069548      7.52723407    -12.21895381
  H     16.09821708      9.99863244    -18.32164266
  H     13.51868044      7.49638013    -18.97132492
  O     13.66991717      8.06959748    -18.22488058
  H     15.21121920      5.80089645    -13.08618702
  H     14.60361065      8.34754459    -18.26655531
          69
 Energy    -249.52768904311944     
  O     14.12912648      9.70619503    -10.72220422
  H     13.98268122     10.29232360    -11.47767409
  H     15.42357111      4.01416112    -15.95442647
  O     13.34436851     10.31496161    -16.57988826
  H     14.77881958     10.11732409    -10.14109457
  H     12.42244693      7.09354296    -10.81416009
  O     16.67997255     10.95191537    -13.55134904
  H     13.26322322     11.19671763    -16.19568108
  H     13.18601034      8.24926755    -10.15035711
  O     13.54003104      4.72606654    -12.98222004
  H     13.00136246      9.70660118    -15.91358779
  H     18.75556148      7.37919284    -12.92950551
  O     16.90671965      8.03675486     -8.75224254
  H     17.14201202     11.05813337    -12.71225840
  H     18.37971285      7.60939149    -14.40744430
  O     16.17633057     12.52545162    -15.82927388
  H     15.73320855     10.89991697    -13.36021531
  H     14.49256751     12.84600684    -15.45748210
  O     15.64225485      7.73055368    -12.09929178
  H     14.22235633      4.73002545    -12.29723528
  H     13.21276001     13.71486362    -15.37622217
  O     13.88999333     10.95057764    -13.15266433
  H     14.00975105      4.59164768    -13.81332980
  H     12.31498132      8.09188960    -13.72059789
  O     18.21409614      8.22771402    -11.29114729
  H     16.26254978      7.31936621     -8.71196866
  H     13.59980757      8.19543953    -14.56944477
  O     17.98909205     11.10034002    -11.05958828
  H     17.45910980      7.88773656     -9.53047014
  H     15.92862676     10.08933397    -18.43364859
  O     17.31260980      4.57182543    -13.48155192
  H     16.20476963     11.83975923    -16.50832462
  H     14.99449713     10.16372320    -17.20429167
  O     15.29812701      4.62690405    -15.23627856
  H     16.50548981     12.10172822    -15.02431368
  H     10.86746558      6.32496247    -12.61171231
  O     12.85225367      7.35497554     -9.99189138
  H     15.03933553      8.35459230    -11.67959143
  H     12.36653249      5.97366782    -12.74542192
  O     18.72346657      6.94981220    -13.79368821
  H     15.40160007      7.62588870    -13.02851101
  H     14.49882636      5.63211331     -7.89316966
  O     13.55074185     12.83995444    -15.20780994
  H     13.47339891     10.16602844    -13.54182399
  H     14.09715941      6.48729930     -9.11804552
  O     12.80229020      8.68325285    -14.30551057
  H     13.68535755     11.69086778    -13.73604343
  H     15.47781076      5.19708999    -10.26546413
  O     15.92587651     10.19687418    -17.48615391
  H     17.32104066      8.05929024    -11.63606029
  H     15.68224351      6.03288460    -11.53144344
  O     11.74300116      6.70150123    -12.56730839
  H     18.31102234      9.18556892    -11.26065537
  H     15.91298406      7.83354491    -15.08839821
  O     14.84838570      6.05506396     -8.67285224
  H     17.37685410     11.01530760    -10.31162209
  H     15.18864859      6.43970160    -15.04869538
  O     15.68929422      5.12018204    -11.20175098
  H     18.69188567     11.68177445    -10.77808673
  H     16.45073975      9.67835088     -8.82741022
  O     15.10881893      7.37267224    -14.81447292
  H     16.91722462      4.62906842    -12.60320636
  H     16.01471328     11.00352079     -8.14723284
  O     16.20104154     10.60759055     -8.99402501
  H     17.87643897      5.35216581    -13.59205628
  H     16.97780897      9.31522651    -16.19197157
  O     17.31244635      8.93535419    -15.36940573
  H     16.06959887      4.53383309    -14.64483440
  H     17.17528364      9.61224355    -14.68994596
          69
 Energy    -249.52733905697286     
  O     10.72935066     10.25295136    -12.36608985
  H     10.40908638      9.84620143    -13.18125637
  H     15.97086122     12.33582353    -14.51791748
  O     14.46645128      7.56133344    -15.29984163
  H     11.53250509     10.73222723    -12.60558898
  H     16.44713817      9.76462356    -13.93083499
  O     17.22676647     10.62285845    -10.33511884
  H     15.13672188      7.22499924    -15.90431659
  H     15.58520912      9.27664903    -12.73773150
  O     17.14199977      9.82064579    -16.80256940
  H     14.94592011      8.14528103    -14.68837599
  H     10.74024638      8.97257698    -11.18238342
  O     12.59717924      9.57105811    -15.52158934
  H     17.18015359     11.30152391     -9.66607959
  H     10.12811870      8.29080735     -9.93339389
  O     15.92602761      6.36394101    -10.13694182
  H     16.31757148     10.47410801    -10.64325204
  H     20.67639523      7.43386703    -11.94917521
  O     13.54889772      6.04860674    -13.16960800
  H     17.07099405      8.86185926    -16.79833200
  H     19.25355164      7.71377690    -11.40240643
  O     14.72979639     10.04211998    -11.32623712
  H     16.24975449     10.17129586    -16.95283890
  H     10.69721259      6.99650674    -12.16205426
  O     16.06474005      4.88075157    -12.61338590
  H     13.16994722      8.79066218    -15.53298867
  H     11.67386245      6.26775017    -13.11111630
  O     17.34226781     11.25922669    -14.51259719
  H     11.69780709      9.26367712    -15.35656547
  H     19.39579974      9.55822331    -12.51340295
  O     16.94536259      6.90442585    -16.48275715
  H     15.06388684      6.79301235    -10.20519668
  H     18.49378149     10.56740129    -11.77778462
  O     15.13700181     12.83403181    -14.58985869
  H     15.97854884      5.76537598    -10.89068950
  H     17.09076229      7.58763424    -13.63695560
  O     16.00500777      8.99131133    -13.55689893
  H     14.31351866      5.49849627    -12.96070535
  H     18.49465897      7.01747342    -13.32721458
  O     10.76958756      8.17156455    -10.62804566
  H     13.78614410      6.53369932    -13.97285742
  H     17.41154820      7.37007866    -10.02569815
  O     19.79031791      7.66078886    -12.21654587
  H     14.27479933      9.22844385    -11.06543952
  H     17.86624404      8.85007614    -10.04021958
  O     10.77401042      6.61258847    -13.04451742
  H     14.16165952     10.51007288    -11.95470293
  H     13.83891548     10.57262939    -16.54773121
  O     19.06125704     10.46086692    -12.55242013
  H     16.46036531      4.01607683    -12.69189512
  H     14.74521437     11.76056529    -16.21030413
  O     17.66762916      6.82145515    -13.78617941
  H     16.66908982      5.50771258    -13.04332151
  H     13.50112180      7.11527776    -11.66923326
  O     18.18972493      7.94334057    -10.08837375
  H     17.46104715     10.79482596    -15.35657875
  H     12.56717893      7.78635340    -10.62946543
  O     14.62760856     11.04382871    -16.84416956
  H     18.06897123     11.04469599    -13.91040635
  H     13.80902990     11.88916824    -13.69458491
  O     13.49394866      7.63174005    -10.85087118
  H     17.31557390      6.80615449    -15.59049258
  H     13.01882817     10.62221245    -14.08202486
  O     13.21943116     11.21147364    -13.33989542
  H     17.44259468      6.32366003    -17.05335863
  H      9.25499558      8.49511561    -15.11530247
  O     10.08312605      8.66952573    -14.67658294
  H     15.37393457     13.75331550    -14.67925481
  H     10.29901477      7.87672423    -14.15356484
          69
 Energy    -249.52714230825256     
  O     10.46198187     10.80433731    -12.26909440
  H     11.42897488     10.78851104    -12.36598411
  H     17.47579683      6.09310109    -15.74731935
  O     14.32478667      7.30188672    -15.24083125
  H     10.22622064     11.69095133    -12.00874067
  H     15.88075617     11.77246637    -15.54542934
  O     17.37766853      9.95512299    -10.42212170
  H     14.97758472      7.76014492    -14.68656986
  H     17.38776749     11.60452794    -15.29660720
  O     18.78165303     10.63863592    -16.15733754
  H     14.82629563      6.92613894    -15.97388436
  H     17.13608617      8.58210501    -14.08776511
  O     12.87106920      9.63530629    -15.39601610
  H     16.86360487     10.40555720    -11.11364115
  H     16.06309882      9.33872861    -13.26558421
  O     12.87274651      5.99479246    -13.30746587
  H     17.62215920     10.62057911     -9.78391943
  H     10.33666748      9.10937843    -11.35701387
  O     15.86398854     10.99274972    -12.45012045
  H     19.63334942     10.94788604    -16.45348182
  H     11.44309614      8.10745301    -10.97935435
  O     16.65138858      9.25011984    -17.44325639
  H     18.94830800      9.90809160    -15.53461658
  H      9.35603294      6.09687508    -13.25617855
  O     14.93496057      4.40803771    -12.37739501
  H     13.31029462      8.77356968    -15.42725484
  H     10.17967381      7.14761774    -12.47133529
  O     18.98657232      8.55637203    -14.46912020
  H     11.92360357      9.48330811    -15.26491117
  H     18.54918537      7.30970567    -11.82842656
  O     16.22295432      6.59094949    -17.13853141
  H     13.31275981      6.40196013    -14.06882945
  H     18.60003871      8.74309919    -11.26093710
  O     18.18500530      6.02106669    -15.09634160
  H     11.92175691      6.12496652    -13.40377339
  H     16.63495544      6.99081112    -12.78647166
  O     16.57666457     11.94459413    -14.89911732
  H     16.14674529     11.43317902    -13.26724201
  H     16.32259223      5.51456131    -12.36177088
  O     16.23891071      8.51561091    -13.73549052
  H     14.89890414     10.94798959    -12.45458818
  H     16.27641498      8.43545458    -10.13531945
  O     10.48642789      8.19076416    -11.10195710
  H     15.92106637      9.86598061    -17.30839493
  H     16.20279772      7.02257393    -10.73700765
  O     10.13118878      6.64991049    -13.30799286
  H     17.43561948      9.70401176    -17.11170934
  H     13.93306893     10.66474998    -16.33817046
  O     19.10392549      8.09831077    -11.77320753
  H     14.13971176      4.86496591    -12.69299110
  H     14.15055304     11.71959803    -17.44620092
  O     17.00388760      6.20369254    -12.35696349
  H     14.62900400      3.68040397    -11.84147697
  H     13.19610958      7.25974839    -11.98696980
  O     15.72074630      7.64747707    -10.18405535
  H     18.86843707      7.65225566    -14.79711319
  H     14.08944852      7.86166356    -10.85603605
  O     14.61202261     11.16127856    -16.82534513
  H     19.18710127      8.49175901    -13.52391307
  H     13.22143155      9.54728666    -12.21193007
  O     13.27065785      7.98737326    -11.35629790
  H     16.40915925      7.53608608    -17.28945588
  H     13.11082988     10.16846219    -13.64159046
  O     13.16102640     10.38428819    -12.70003913
  H     16.27607083      6.16071752    -17.98771099
  H     10.17258074      8.29210166    -14.30682693
  O     10.28517727      9.18654272    -14.65139341
  H     17.77560772      5.82131580    -14.24739918
  H     10.17275481      9.77593641    -13.89509932
          69
 Energy    -249.52693572883965     
  O     12.25963414     10.82169743    -14.11456657
  H     12.50029499     10.07693038    -14.68507129
  H     16.04520545      4.25311040    -15.05706622
  O     16.39850506      6.78018346    -13.11251481
  H     12.78980713     11.55964947    -14.43659256
  H     19.73507992      8.00732656    -14.80243915
  O     17.88442249     10.83684807    -11.58693737
  H     17.11517104      7.14558855    -12.57970798
  H     20.02763327      9.21789037    -13.89859731
  O     17.89601304     10.38212075    -15.87761318
  H     15.56477364      6.92825461    -12.63947674
  H     15.20643966     10.58534250    -17.49566328
  O     13.20160189      6.27643549    -14.49494749
  H     17.62729773     10.74170536    -10.65809318
  H     16.43773422     11.19141407    -16.80069925
  O     14.07683959      9.93068016     -9.10670919
  H     17.09792261     11.14093910    -12.06437073
  H     16.09907399      8.30012531    -14.08556100
  O     13.97568859      7.30371659    -11.94364155
  H     17.17420787      9.91648246    -15.42238793
  H     14.99396857      9.02631608    -14.91308052
  O     15.65675179     11.41095702    -13.04512933
  H     18.45914232     10.76114714    -15.19202311
  H     18.29645988      6.91379685     -8.67893414
  O     16.45738460      6.96547271    -17.28411216
  H     13.97529621      5.77138009    -14.77062026
  H     17.98753076      7.54789258    -10.05294619
  O     14.78100714      7.15675334     -9.32769291
  H     13.33972747      6.50519819    -13.56548102
  H     20.22770040     11.79973166    -13.58447938
  O     19.04691209      8.01076664    -16.64098324
  H     13.79136973     10.02306989    -10.03112310
  H     19.05091804     11.06501091    -12.90752184
  O     15.78083236      5.15823179    -15.20189221
  H     13.40378165     10.34359357     -8.57131454
  H     19.06108994      7.99017927    -12.43013709
  O     20.02227748      8.25197173    -13.91543863
  H     13.76945238      8.24662942    -11.97364376
  H     18.17753532      9.00642595    -11.66325775
  O     15.53618728     11.39264024    -17.08249883
  H     14.17771045      7.09952547    -11.01827171
  H     15.96599086     10.20274001     -9.04992446
  O     15.87044170      9.13064254    -14.51797726
  H     15.21190352     12.02787450    -13.63852863
  H     17.19878060      9.28780508     -8.95140383
  O     17.63920343      7.41449150     -9.15587953
  H     15.74086895     10.58239501    -13.54503069
  H     14.39507445      8.62433652    -18.98754283
  O     19.59546380     11.09688195    -13.71243989
  H     16.20237683      6.29731117    -16.63577988
  H     15.32800778      8.16346164    -17.84339839
  O     18.40978584      8.06909350    -11.71750004
  H     17.36259108      7.21947767    -17.06994101
  H     12.88199963     10.31471251    -12.48899656
  O     16.92967271     10.20131564     -9.10716974
  H     14.50644341      8.05557590     -9.10444509
  H     14.32260348     10.58268889    -12.06573135
  O     14.67788450      8.84089679    -18.10303984
  H     15.73995251      7.14160503     -9.22179727
  H     14.65980771     12.27387671    -15.82818903
  O     13.52413077     10.11113045    -11.79349040
  H     18.67888360      8.89684699    -16.48129586
  H     14.06378177     13.62337137    -15.37254838
  O     14.24102407     12.73351007    -15.07927870
  H     19.68117450      8.10100708    -17.34908238
  H     13.19440914      7.84725825    -15.32485303
  O     13.34620220      8.75426771    -15.63220417
  H     16.09690191      5.66899738    -14.43604079
  H     13.63581713      8.72722825    -16.55144312
          69
 Energy    -249.52651756504474     
  O     14.79803134     11.29910204    -10.88371169
  H     14.84529132     11.21183604    -11.84573933
  H     17.97774892      4.89416151    -13.75626679
  O     14.28239631      6.70542543    -14.34953897
  H     15.71325741     11.23828914    -10.58447404
  H     18.33716741     10.91637463    -13.50081412
  O     17.06059527      5.55678998    -10.35838931
  H     15.03716970      7.11978624    -13.90314359
  H     18.96087947      9.60492793    -12.98618471
  O     18.94751877      7.83861746    -13.55006381
  H     14.44725337      5.75774894    -14.39044701
  H     17.11673788      8.07931989    -13.29819549
  O     12.80815359      6.39428684     -9.32857098
  H     16.83899724      6.48890196    -10.21999713
  H     16.18591388      8.10872281    -12.06323686
  O     12.36125591      7.90033232    -12.80202742
  H     16.27141564      5.06291601    -10.11024883
  H     13.83692001      3.91970667    -12.79122665
  O     16.27078232      8.19550092    -10.24041196
  H     18.90896771      7.57114668    -14.47796425
  H     13.79326942      4.00872727    -11.24538334
  O     16.85732783      9.07929004    -16.50274277
  H     19.05321445      7.03010341    -13.03119506
  H     11.62459568     10.58707513    -14.48844628
  O     11.18285215      5.67411194    -11.58570327
  H     13.06284813      7.30498026     -9.52745801
  H     12.27674751      9.32773463    -13.87483408
  O     18.42253331      6.93842842    -16.14966425
  H     12.13077771      6.16780674     -9.97776631
  H     19.69056236      4.86178038    -11.86257498
  O     14.11699034      8.62745968    -16.37312725
  H     13.02040740      7.43534180    -13.34127092
  H     18.27687714      5.39999445    -11.53761425
  O     17.45116664      4.77528940    -14.55636691
  H     11.81434988      7.21444440    -12.40010841
  H     14.73204888      3.33838566    -15.05122953
  O     18.74376035     10.51058739    -12.72614467
  H     15.32529739      8.39567116    -10.18958551
  H     15.83910070      4.19974776    -14.40337372
  O     16.19366993      8.15257270    -13.02818119
  H     16.75097746      9.02897876    -10.15342447
  H     14.00766195      5.11880801     -9.41607442
  O     13.23985599      3.97645428    -12.03618719
  H     17.04051769      9.91683732    -16.06486465
  H     14.53736324      3.79731997     -8.81664717
  O     12.42735737     10.07237597    -14.48166542
  H     15.89472101      8.97737998    -16.52836921
  H     17.16375605     12.38032594    -15.29252372
  O     18.96587353      5.36255569    -12.22652215
  H     10.35690213      5.19933733    -11.61145530
  H     16.40326715     11.29673143    -14.49181345
  O     14.89616253      3.96127795    -14.34773353
  H     11.88395481      5.03267657    -11.80558707
  H     13.87421673      9.78792915    -10.50086012
  O     14.60807671      4.36887578     -9.57712307
  H     18.96182656      6.82899347    -16.92801928
  H     13.18360087      8.60954090    -11.25503010
  O     17.23539414     11.48966728    -14.95845015
  H     17.83039731      7.69321520    -16.32523065
  H     17.99354334     10.66090407    -11.15938505
  O     13.58340324      8.86791858    -10.41443051
  H     13.47082503      9.20768669    -15.95854833
  H     18.15818726     11.11689868     -9.69189162
  O     17.55041146     10.69459211    -10.29291718
  H     14.15338060      7.85196442    -15.79459168
  H     14.14645484     10.50584057    -13.95567455
  O     15.03615557     10.63385790    -13.60523068
  H     17.72954137      5.46750199    -15.16819201
  H     15.41437106      9.75768804    -13.43476202
          69
 Energy    -249.52644094095592     
  O     -8.19491914     -2.04538004      6.10492457
  H     -8.92023437     -1.41162195      6.17156712
  H     -4.54369842      0.75460854      2.00895735
  O     -9.10303199     -2.44129562      1.70835089
  H     -7.39607572     -1.60907137      6.42145595
  H     -6.85748438     -0.68465607      3.39122217
  O     -8.14767826     -3.79664272      4.05297044
  H     -8.87659459     -3.01118290      2.45426186
  H     -7.14537359      0.57370508      4.27641840
  O     -5.54454357      0.53794825      0.43905912
  H     -9.62740896     -1.72865033      2.09578866
  H     -5.07612767     -0.93958363      6.11778643
  O     -6.70888897      1.54743953      5.77822570
  H     -8.29490868     -4.67603589      4.38962321
  H     -5.20261661     -1.02143100      7.65876385
  O     -5.00858464      5.15750619      0.86252687
  H     -8.21288789     -3.19032873      4.81351599
  H     -1.07037794      1.91631907      1.70476803
  O    -10.41651763     -0.25288565      6.09985455
  H     -5.85163172     -0.36544103      0.30404961
  H     -2.55806168      1.78875861      2.10709816
  O     -4.15562061     -1.11439713      4.66829887
  H     -6.34910867      1.05574379      0.60095654
  H     -9.93432312      4.98737653      3.80374398
  O     -4.01864691      2.85715744     -0.19797909
  H     -6.27201605      0.84168822      6.27093930
  H     -8.68050517      4.22826356      3.32592985
  O    -10.12305200     -0.34245593      3.28373163
  H     -6.03904247      2.12000662      5.37876161
  H    -10.32309756      2.76967993      2.51598064
  O     -6.76340042     -2.04922904      0.35557302
  H     -4.69714517      4.34681279      0.42113421
  H    -10.52262854      1.24725706      2.34611979
  O     -3.99872132      0.97365190      2.77676453
  H     -4.96126549      5.85626180      0.21529022
  H     -6.09940539     -2.33881712      2.08309559
  O     -7.37765579      0.12386742      3.45440234
  H    -11.14824976     -0.25675622      6.71067797
  H     -6.65059436     -2.96246474      3.39278491
  O     -5.68418835     -0.79894736      6.86666053
  H    -10.09529014      0.66640294      6.05297587
  H     -9.50516080      2.88500299      5.18399506
  O     -1.90930888      2.36817505      1.67122301
  H     -3.95327440     -0.36939379      4.08876064
  H     -8.43336070      2.06971027      5.93892167
  O     -9.55412434      4.11448329      3.73364501
  H     -4.68581906     -1.71025712      4.11882705
  H     -3.70146048      4.94898329      2.30039082
  O    -10.46470634      2.07995537      1.85656508
  H     -3.19763424      2.70391850      0.28674435
  H     -2.55733706      3.95978715      2.57308552
  O     -5.97463410     -2.36863478      3.03957554
  H     -4.51560525      2.03093429     -0.14456844
  H     -5.86694845      3.48494341      3.66658641
  O     -9.38699800      2.22614124      5.87712277
  H    -10.43448071     -0.40261048      4.19371330
  H     -4.36370698      3.68148530      3.96126122
  O     -3.12934455      4.60960985      3.00034804
  H     -9.16747495     -0.19415047      3.35786154
  H     -8.76054853      1.88640290      1.28681088
  O     -5.12670712      3.12568481      4.17494885
  H     -6.75429559     -2.63427622     -0.39784988
  H     -7.61604301      1.18732191      2.06465519
  O     -7.79976921      1.77683912      1.31531136
  H     -7.64865337     -2.12949357      0.75478186
  H     -7.32015153      3.34295662      1.97979771
  O     -7.08664671      4.15391088      2.45896541
  H     -4.44232034      1.68922464      3.25392635
  H     -6.44636837      4.62490618      1.91100420
          69
 Energy    -249.52602042175849     
  O     16.89288260      8.53949256    -15.11725680
  H     16.59911537      7.69021796    -15.43648150
  H     15.67156642      9.77410430    -14.26736857
  O     16.72477256     15.24858127    -16.04016166
  H     17.01693885      9.10529249    -15.90055161
  H     18.04952050     10.64754704    -17.39875423
  O     21.96470439     10.86953121    -15.81796747
  H     16.30715154     15.87156376    -16.62907180
  H     16.68239932     11.08085682    -16.84799785
  O     19.45646503     12.50944702    -10.44331846
  H     17.57793292     15.00656483    -16.44651800
  H     20.33140218     16.86705994    -11.76862736
  O     15.52575983     11.43659898    -11.40798532
  H     21.83975049     11.72882666    -15.38806552
  H     18.85862013     16.48073981    -12.01589154
  O     21.66503593      9.51359943    -13.20384136
  H     21.98007699     10.24684921    -15.08441687
  H     21.86939562     11.12613956    -12.20274853
  O     18.00711772     10.10374001    -10.91797317
  H     18.77465086     12.83226206    -11.05001436
  H     21.00827123     12.07873997    -11.31465178
  O     19.62901132     11.68194764    -17.06719214
  H     19.71526371     13.27493957     -9.91501888
  H     18.56636999      9.51974605    -12.48121000
  O     20.46987366     15.67589999    -14.66526740
  H     15.33729500     11.07418990    -12.29307130
  H     18.24427437      8.95087110    -13.91693363
  O     20.23081855     14.96825306     -9.33538667
  H     14.69861425     11.45970974    -10.93525088
  H     19.43827420     13.62670314    -17.13775294
  O     21.14725046     13.05112509    -14.27956647
  H     20.70525010      9.38164723    -13.27907445
  H     19.79313208     14.91584670    -16.33956043
  O     15.19539524     10.53630100    -13.91921293
  H     22.03559316      8.67071646    -12.95217243
  H     22.30756755     15.99898170    -12.09573615
  O     17.17698307     10.31059239    -17.15792459
  H     17.11417708     10.46712110    -10.97071877
  H     22.77615993     17.38729879    -12.59337956
  O     19.49756025     16.67769088    -11.32007683
  H     18.56042490     10.81614567    -10.57252340
  H     17.40335675     15.66483750    -14.30463694
  O     21.83369088     12.01013859    -11.81717462
  H     19.19179294     11.72672577    -16.20679519
  H     17.69474910     14.90430530    -12.98960309
  O     18.92387557      9.36456036    -13.37074098
  H     20.49885327     11.30575909    -16.87002145
  H     21.85670718     14.73665487    -10.33329017
  O     19.16222858     14.53409558    -16.96235282
  H     19.59614191     15.71878182    -14.24998151
  H     22.49842036     13.70518709    -11.27643156
  O     22.05110409     16.76964756    -12.63350875
  H     21.07631812     16.15262355    -14.08442331
  H     18.76004561     11.02652482    -14.03243691
  O     17.91577033     15.70489157    -13.48799848
  H     20.14768411     15.39648251     -8.48766145
  H     19.53990249     12.35582189    -14.33357892
  O     22.52832473     14.63526130    -11.01973698
  H     19.89017948     15.59295829    -10.00093166
  H     16.21765568     13.44393792    -15.79817760
  O     18.66731370     11.93318298    -14.35648447
  H     21.02108047     14.00427863    -14.36198286
  H     17.07210468     12.31747828    -15.19012005
  O     16.22494093     12.49598430    -15.62479156
  H     21.45826661     12.84082581    -13.38933931
  H     16.71618741     12.76112299    -11.92192967
  O     17.46688112     13.27819616    -12.24117509
  H     15.36502313     11.26074047    -14.53751898
  H     17.85607673     12.78316052    -12.97671914
          69
 Energy    -249.52541919075315     
  O     17.29135003      9.99784965    -15.49304837
  H     17.83023385      9.78816287    -14.72317384
  H     18.23531549      3.19917331    -15.95248666
  O     13.23885009      5.43794338    -16.81222083
  H     16.37200224      9.80246967    -15.25443793
  H     18.70840778      7.66611238    -17.36212980
  O     17.47340724      4.54130709    -12.14486532
  H     13.27815937      4.76895863    -17.49363284
  H     19.26822763      6.22344868    -17.54954549
  O     19.08488633      4.69334114    -18.56615676
  H     13.88063085      6.11444659    -17.07319369
  H     17.84258847      6.38552417    -15.79422629
  O     16.35101865      4.64319622    -18.42788033
  H     17.28883577      5.48315218    -12.28688700
  H     17.01306948      6.50094227    -14.47391747
  O     13.72237743      6.55663858    -10.21200884
  H     18.32974233      4.37774485    -12.55598691
  H     14.62774535      8.51172039    -15.79170528
  O     13.49632306      5.17524219    -14.06389455
  H     19.41458043      4.39562109    -19.40974546
  H     14.41781033      8.67486776    -14.27036678
  O     16.92361452      7.13598749    -12.77750381
  H     18.11363030      4.64974151    -18.61196210
  H     13.15823907      3.13391873    -11.26644182
  O     16.40660081      3.49963182    -15.88819863
  H     15.98732675      5.50925002    -18.21533016
  H     13.37051756      1.68787556    -10.75458008
  O     12.20926892      4.56002371    -11.63709307
  H     16.24544745      4.10750077    -17.62672125
  H     19.69420317      3.96311286    -14.45968862
  O     20.20777601      7.10231496    -14.32780535
  H     14.41508236      5.87843150    -10.11878223
  H     20.68779390      3.85560465    -13.28251319
  O     19.19114076      3.33835574    -16.01137084
  H     13.58891900      6.93329907     -9.34639884
  H     14.85233590      2.76339700    -12.64708194
  O     19.20491511      6.96015181    -16.92795099
  H     13.33277836      5.21496798    -15.01523902
  H     16.11402940      3.61373099    -12.94831740
  O     17.01557969      6.13088274    -15.36463284
  H     14.16054023      4.49235236    -13.90233732
  H     16.30704499      4.49500313    -10.64193355
  O     14.70232892      9.14020503    -15.06813631
  H     15.99390855      7.39965417    -12.74649218
  H     15.02021072      3.72477836    -10.29063485
  O     13.82908025      2.44543961    -11.10647566
  H     17.48207567      7.92159088    -12.81441884
  H     15.95734853      7.84124702    -17.67049168
  O     19.92078657      4.33396159    -13.58861308
  H     16.62141296      4.42315623    -15.67406158
  H     15.87706666      6.81263641    -16.52599425
  O     15.35698333      3.17152943    -13.36043960
  H     15.97345760      3.15119458    -15.09980376
  H     13.92893717      6.72803727    -13.29496168
  O     15.53035580      4.51389127    -10.06873122
  H     12.54439521      5.28459602    -11.09484157
  H     13.97685487      7.35757104    -11.88342676
  O     15.37717244      7.17999674    -17.27462145
  H     12.45800094      4.78053059    -12.54579115
  H     19.36544090      9.68417962    -12.67599304
  O     14.19505745      7.52413351    -12.80868892
  H     20.03240748      7.08800072    -15.27887737
  H     19.38247957      8.43633985    -13.59463790
  O     18.81240925      9.13623584    -13.22597122
  H     20.14110628      6.18915004    -14.02483873
  H     17.59945847      9.64302482    -18.59681888
  O     17.48578799      8.95681664    -17.94539304
  H     19.33596744      3.71995973    -16.88355027
  H     17.44879323      9.39767761    -17.07442144
          69
 Energy    -249.52530374575872     
  O     14.73452896     10.40168304    -15.74303853
  H     15.14401851      9.99400283    -16.52620564
  H     18.76839490      8.90258092    -15.84719108
  O     17.52812450      5.88848456    -11.79498610
  H     14.34562483     11.22206994    -16.03718814
  H     15.65284598      6.54652392    -15.73238055
  O     19.66242483      6.35483001    -17.78799010
  H     18.37296373      6.15082399    -12.18724306
  H     17.00518388      5.88146614    -15.36487781
  O     17.33374098      4.67285210    -18.34543210
  H     16.90860260      6.59701113    -12.02487315
  H     12.93671575      7.93628770    -14.27640834
  O     13.20330430      5.56920286    -10.18644232
  H     18.94283832      5.83930295    -18.16644256
  H     13.53536813      8.98883905    -15.25582262
  O     13.93084709      4.53705817    -14.13430677
  H     19.25676748      7.16937917    -17.45316610
  H     14.52942750      2.43638235    -11.45760703
  O     15.84004877      7.76730196    -12.85104964
  H     17.46523822      3.85439329    -18.81912754
  H     15.42033692      1.26301439    -10.98102836
  O     17.80583988      4.22500315    -15.67820351
  H     17.43493432      4.46041337    -17.40170569
  H     14.29973015      6.22439175    -17.36766562
  O     13.00363152      3.21108603    -11.83217993
  H     12.84357895      5.76801114     -9.32622146
  H     13.57109844      6.84315832    -16.12258948
  O     19.31880861      9.54537919    -14.20028279
  H     14.13566908      5.32288471    -10.04938471
  H     19.58077458      7.74245191    -13.54894004
  O     20.43365555      5.17151987    -15.46894832
  H     13.91681289      4.91071988    -15.02546393
  H     19.98840446      6.31983247    -13.99697355
  O     18.31412809      8.42892892    -16.55432583
  H     14.84834613      4.31908813    -13.92230228
  H     16.91128498      4.51111158    -12.78213585
  O     16.51866619      6.71403952    -15.33679369
  H     16.09768649      7.43422263    -13.72458449
  H     16.26037726      3.10530955    -12.67491041
  O     12.97029642      8.20835512    -15.20206231
  H     14.91174671      7.53396333    -12.72385924
  H     15.76689112      3.79048720    -10.25675334
  O     15.44962204      2.16514725    -11.28647248
  H     18.73364426      4.43205463    -15.50216645
  H     16.47956477      5.14529754    -10.43578374
  O     14.04510871      6.06130101    -16.45382864
  H     17.40297170      3.90583407    -14.85767905
  H     16.05587755      5.92135324    -18.74932949
  O     19.66185240      6.82979338    -13.24717445
  H     13.14545908      3.58530398    -12.71303606
  H     15.09428186      6.46470026    -19.82940060
  O     16.54479051      3.78026730    -13.30293479
  H     12.89857440      3.96661422    -11.24053473
  H     13.42802954      6.04593429    -13.21068928
  O     15.77515791      4.70270615     -9.94328122
  H     18.41586896      9.84757520    -13.99080060
  H     13.11355598      6.54406191    -11.78663734
  O     15.34911505      6.56498003    -18.91478359
  H     19.90936765     10.24588843    -13.93709743
  H     16.09731441     10.39065609    -14.40912055
  O     13.23783630      6.84422166    -12.69541005
  H     20.27080337      5.61763025    -16.31906477
  H     16.41559207      9.44962796    -13.24066234
  O     16.74913579     10.22291695    -13.71840083
  H     21.30900196      4.79613654    -15.51492225
  H     15.72228941      8.36289529    -18.26224532
  O     15.97420846      9.19682833    -17.85179944
  H     17.65914308      7.86215968    -16.11646761
  H     16.87360574      9.06367791    -17.51977508
          69
 Energy    -249.52498468201657     
  O     19.59772320      7.24725612    -10.79566562
  H     18.77390640      7.61743351    -10.45373901
  H     18.68752349     12.03938067    -14.27620215
  O     17.52846115     10.84792927    -11.24851895
  H     19.34372181      6.48420279    -11.32950556
  H     12.59903972      8.10867781    -16.31468356
  O     12.18398478      8.39516727    -13.23274524
  H     18.19483549     10.79200912    -11.94770944
  H     12.77937021      8.52973579    -14.83735603
  O     16.21204188      6.38295338    -12.37971594
  H     17.46448112      9.96994946    -10.85017434
  H     16.06603600     10.53463043    -12.27799904
  O     13.58863399      6.48696502    -11.53665255
  H     12.02322547      9.13678245    -12.63201347
  H     14.86621206     11.01052260    -13.14774286
  O     18.75670623      5.29619383    -12.74696351
  H     12.57653175      7.69504551    -12.69994920
  H     14.01640022     10.21062451    -16.09968452
  O     14.16397882     12.57201226    -13.91830168
  H     17.03438731      5.90096148    -12.52918697
  H     14.28120202     11.60809399    -15.49161270
  O     18.06974113      8.95669538    -15.38508418
  H     16.04499845      6.92992659    -13.16317539
  H     13.97132167      8.10434070    -10.65247008
  O     16.98144070      8.22568539    -10.35688969
  H     14.50349613      6.32971631    -11.82330830
  H     14.52467167      9.43520038    -11.21186350
  O     17.12600418     11.10941459    -16.92087650
  H     13.27400861      5.66936383    -11.15876593
  H     20.66241884      8.22034360    -11.78594222
  O     19.91457259      7.06226717    -14.43745166
  H     19.16578088      5.87649325    -13.41459878
  H     22.07792029      8.75779026    -12.10807939
  O     18.18495815     12.68307904    -14.79185327
  H     19.10399894      4.42050080    -12.89289886
  H     17.07933393     13.71371746    -13.98491717
  O     13.20189228      8.54099151    -15.71648978
  H     14.90570319     13.19194624    -13.87842244
  H     16.56561668     15.15614867    -13.76878083
  O     15.26949302     10.23698118    -12.73784881
  H     13.62247116     12.75756673    -13.14065426
  H     16.13793696     13.60113345    -11.76813451
  O     14.51717898     11.02509263    -16.22568187
  H     17.84615439      9.64531072    -16.02328857
  H     16.49031412     12.39531548    -10.88098138
  O     14.28607738      8.97955826    -10.38889833
  H     17.22606564      8.59695337    -15.07512419
  H     12.76408643     13.73341498    -10.85842612
  O     21.18907234      8.70355705    -12.44795057
  H     16.11199197      8.52569544    -10.06157095
  H     14.11282682     13.01820860    -11.09504008
  O     16.39320377     14.24613895    -13.54345029
  H     16.78699376      7.59881837    -11.06801720
  H     18.83319075      9.94791825    -14.04767181
  O     15.87614808     13.13579984    -10.96296224
  H     16.17840719     11.07521474    -16.69553893
  H     20.02297322     10.00434715    -13.05760615
  O     13.16757114     13.00876857    -11.32919452
  H     17.18029898     11.32483686    -17.84798501
  H     12.64902234      9.94227425    -10.72398027
  O     19.26551040     10.50509278    -13.38412143
  H     19.32410064      7.66786635    -14.90574521
  H     12.30236201     11.31184668    -11.30658442
  O     12.00325439     10.39542799    -11.28113005
  H     20.47878212      7.61358511    -13.88139780
  H     15.50953392      8.88289507    -13.81107330
  O     15.63490384      8.12239976    -14.40311568
  H     17.85375797     12.21000789    -15.56522642
  H     14.85782158      8.10243775    -14.97310175
          69
 Energy    -249.52387537216845     
  O     15.22404171      9.73176452    -11.47954798
  H     15.12154717      9.56078450    -12.42367236
  H     12.37344542      7.76266909     -6.45128081
  O     17.18715781      4.10674916    -11.90805031
  H     14.37462705      9.48858557    -11.08182840
  H     18.90347850      6.52816900     -7.44537716
  O     13.59355483      5.18442740    -11.80490159
  H     16.78173494      4.74264701    -12.50982975
  H     18.27742344      7.94614352     -7.37691835
  O     13.08427642      6.46208695     -9.41434829
  H     16.45654827      3.69511324    -11.43233215
  H     12.64063273      9.64813610     -9.65260700
  O     14.59902712      8.69491797    -14.08966333
  H     13.93692737      4.39588063    -11.36534239
  H     12.80485373      8.14740539     -9.98500069
  O     14.94181219      3.12961370    -10.36692424
  H     14.34676876      5.56228937    -12.28319142
  H     16.31661742      6.72306131    -12.39592457
  O     19.65842951      7.78557566    -10.23259471
  H     14.00517536      6.60224527     -9.14301123
  H     15.47681031      7.01934759    -13.64565853
  O     15.97679132      4.06028411     -7.99305703
  H     13.13041653      5.97890163    -10.24968992
  H     12.60223810      6.74573612    -12.55696612
  O     17.03297534      7.67501720    -11.09217064
  H     13.76173228      8.34805047    -13.73191895
  H     12.35162015      8.18119023    -12.03774088
  O     15.73729242      6.67832432     -8.90546669
  H     14.39996090      9.06095935    -14.94719325
  H     15.65913448      8.01419360     -4.23374430
  O     16.56981543      8.66478383     -7.23936829
  H     14.77608694      2.19227709    -10.29703518
  H     15.77344307      8.14016691     -5.77121167
  O     12.79586779      8.60709340     -6.25359165
  H     15.28340121      3.41447302     -9.50264892
  H     11.04240549      5.60312005     -7.08894679
  O     19.08379430      7.46255340     -7.60196349
  H     20.47568529      8.25733580    -10.36489514
  H     12.24149075      6.12808491     -7.91564454
  O     12.73279120      9.02643641    -10.38482862
  H     19.51701922      7.72789811     -9.27017118
  H     15.59948673     10.57079336     -9.72799758
  O     15.81247206      6.29487413    -13.10678633
  H     15.44595467      4.35813383     -7.23686077
  H     14.67019560     10.79149552     -8.52107579
  O     12.41633905      7.64811169    -12.84220477
  H     16.91094336      4.13379715     -7.75656122
  H     18.90368423      4.64207050     -8.51302547
  O     15.23515487      7.76731296     -5.05146794
  H     16.53492754      8.50137278    -11.16638650
  H     19.36311451      4.05885322     -7.15339843
  O     11.90005639      6.01233673     -7.01145054
  H     17.95359007      7.86000009    -10.87002269
  H     13.53808595      5.34749889     -6.26522784
  O     15.59966091     10.73338274     -8.77780815
  H     16.24161676      6.90311534     -9.69977618
  H     14.77207211      5.98996964     -5.61307829
  O     18.68062497      4.58321912     -7.56413247
  H     15.92559819      5.76569164     -8.65597976
  H     12.80012739      9.91270609     -7.39713814
  O     14.45244153      5.17156550     -6.01216621
  H     16.32997077      9.48091632     -7.69965930
  H     12.29305934     11.33404579     -7.73718931
  O     12.81882164     10.61330209     -8.07361212
  H     16.24762840      7.93992528     -7.79872637
  H     18.54825313      4.62261654    -10.83109607
  O     19.19811784      4.90937292    -10.17272068
  H     13.59568042      8.38858652     -5.75987609
  H     19.42237476      5.82405933    -10.37190856
          69
 Energy    -249.52376600363024     
  O     16.47928027     10.54917102    -16.87125697
  H     15.60611140     10.83860369    -16.58276436
  H     17.88761575      6.49886617    -11.52730582
  O     15.10797143      6.07072263    -12.96986708
  H     16.76312245      9.88290064    -16.22221119
  H     19.89361858     10.00530572    -16.93635683
  O     18.50678563     13.58248395    -11.48549330
  H     15.95530589      5.76703272    -12.62069616
  H     21.08252112      9.38023223    -17.70302127
  O     19.93314105      8.15021133    -14.64179542
  H     15.19132144      6.04110799    -13.93341695
  H     18.11274297      8.47008319    -14.86648807
  O     14.03045920      8.27584537    -16.98832223
  H     19.02073724     12.91120897    -11.00126236
  H     16.74372035      8.69107402    -14.14667980
  O     17.31287258     10.27671761     -9.17780264
  H     18.90133336     14.42787710    -11.29127748
  H     13.86940380      9.83679458    -16.15229813
  O     15.79840542      8.68122634    -12.57387209
  H     20.19637553      8.38926221    -15.53769803
  H     13.04538997     11.13365053    -16.00562479
  O     18.13513742     11.89415892    -13.71440701
  H     19.81050477      7.18938334    -14.59167195
  H     17.76463944      8.80003498    -10.20754121
  O     19.23321116      5.54582192    -14.40135373
  H     14.41225957      7.52739311    -16.50994857
  H     18.62436911      8.72575146    -11.49370524
  O     17.79138360      4.93853251    -16.79745286
  H     14.58442495      8.37060257    -17.77185124
  H     19.01277171     11.06392694     -9.73391455
  O     15.65864111      6.39216992    -15.70385970
  H     16.82257792     10.90609550     -9.73674861
  H     19.88248724     10.87485792    -10.98915776
  O     17.76047147      5.62216817    -11.92458134
  H     16.93031085     10.33082637     -8.30614507
  H     19.87832919      9.22856905    -13.23135942
  O     20.27862059      9.16286650    -17.23822297
  H     15.37987600      7.81399126    -12.67577053
  H     19.07113282     10.52074156    -12.95025491
  O     17.17281484      8.63406865    -15.01066072
  H     16.51427538      8.57201360    -11.93592008
  H     15.73520385     11.90731047    -11.65013387
  O     13.89166561     10.74478164    -15.80018035
  H     17.19101831     11.68645107    -13.69359999
  H     16.84096427     12.75772211    -10.99749235
  O     18.01020456      8.21972407    -10.93959944
  H     18.28274234     12.58969675    -13.06120965
  H     19.01344063      7.88322646    -17.87684812
  O     19.71287281     11.47886198    -10.25244383
  H     18.70712427      5.23867450    -15.14970010
  H     17.59296829      7.71268916    -18.46855362
  O     19.58967651      9.82323120    -12.52478060
  H     18.68168863      5.48457666    -13.61209825
  H     14.81890131     11.17826303    -14.16849948
  O     16.13793834     12.12598725    -10.80037298
  H     18.03798720      5.73291072    -17.30615851
  H     15.44675171     10.33140640    -13.04475850
  O     18.35590022      7.22598268    -18.13356749
  H     17.92629569      4.19080479    -17.37298292
  H     18.90852351     11.66051602    -15.43122630
  O     15.39253278     11.23477481    -13.39721901
  H     16.24463501      5.74642545    -16.11538177
  H     18.16377307     11.28577613    -16.70602885
  O     19.05513956     11.42042199    -16.35495911
  H     16.21636371      7.16312950    -15.51772828
  H     16.03920398      9.25117060    -19.79490596
  O     16.11824598      8.81301470    -18.95091041
  H     17.98473493      4.98669532    -11.24790447
  H     16.28350302      9.50699366    -18.28927581
          69
 Energy    -249.52313634957375     
  O     -4.50652726      3.55587416     -2.50120491
  H     -4.55586966      3.91660587     -1.59588444
  H     -3.83228672     -0.14242963      5.24986834
  O     -7.01068387      3.41518210      1.22742075
  H     -4.78710560      4.25350451     -3.08707395
  H      0.64975714      0.86472233      1.13609251
  O     -3.72348394     -1.51756287      1.97962823
  H     -7.56730242      2.82741451      0.70487373
  H     -0.58961083     -0.03664808      1.34287473
  O     -2.33007638     -0.78672134     -2.06396704
  H     -6.70542427      2.88374086      1.97575513
  H     -1.25762377      1.82540328      0.69622884
  O     -5.76304322      1.23341341     -1.53886038
  H     -4.53851498     -1.94142140      1.68063822
  H     -2.79276563      1.89692602      0.43573320
  O     -5.98124606     -2.50598907      0.65621280
  H     -3.87169118     -1.11086310      2.84306268
  H      1.51550735     -1.05998007     -0.45531057
  O     -5.02781701     -1.47344995     -1.65553826
  H     -2.33916588      0.16600688     -2.23008769
  H      0.27150217     -1.91185448     -0.14899232
  O     -2.12646930      2.00135262     -2.42853823
  H     -1.58336644     -1.14586465     -2.55967478
  H      2.77895704      1.21810288     -0.31875590
  O     -1.41332282     -1.41536906      0.51587553
  H     -5.24106394      1.15103026     -0.72463653
  H      1.44980385      1.03850197     -1.08790574
  O      0.12535257     -1.59523857     -3.19105166
  H     -5.40896438      1.99791524     -2.00764438
  H     -8.95300686      1.40668974     -1.04922256
  O     -5.97353635      1.46555519      2.95107716
  H     -5.65317220     -2.18590109     -0.20390700
  H     -7.41719290      1.31071587     -0.89246684
  O     -3.91928846      0.05356460      4.32087695
  H     -6.29647094     -3.39509056      0.51740792
  H     -2.25520704      2.67305424      3.21106781
  O     -0.16129843      0.77632202      1.65280945
  H     -5.39767053     -0.58950599     -1.77906823
  H     -1.27888638      1.48374798      3.04203446
  O     -1.94652390      2.33661766      0.25167245
  H     -4.08553208     -1.37854403     -1.84635739
  H     -7.10853249     -1.14141542      1.35871659
  O      1.08875204     -1.89921657     -0.66704047
  H     -1.97618591      2.18190776     -1.48614993
  H     -7.92779189      0.12343121      1.00548201
  O      1.90589612      0.84097789     -0.25025194
  H     -2.89470080      2.53312693     -2.66223946
  H     -4.02718590      0.09604075      1.05289749
  O     -8.25498544      1.35727994     -0.40134828
  H     -2.17384236     -1.60142515      1.08281273
  H     -4.86057377      1.32066899      1.47929054
  O     -2.00155873      1.82243850      3.58653239
  H     -1.76276592     -1.17681602     -0.35439211
  H     -2.28515840      3.69250930      1.33818985
  O     -7.57518317     -0.39015549      1.74383448
  H      0.45246735     -2.23781571     -3.81413527
  H     -2.01884910      5.00772669      2.10564156
  O     -4.27593864      0.98863361      0.78447038
  H      0.52842287     -1.80452493     -2.32911760
  H     -5.58734743      4.15896924      0.43687796
  O     -2.61646536      4.26469588      2.05209570
  H     -6.58521175      0.77734630      2.63931517
  H     -4.12322147      4.51485128      0.76258994
  O     -4.75272654      4.45184196      0.03896879
  H     -5.36440113      1.04520628      3.56743645
  H     -0.29649327      1.58070640     -2.67150090
  O      0.57947263      1.17890731     -2.60946413
  H     -3.21356053      0.68859289      4.10020153
  H      0.48248881      0.28574721     -2.96283325
          69
 Energy    -249.52301892145300     
  O     12.38921819     10.19014326    -11.26122939
  H     13.27095877     10.06895114    -10.89280597
  H     12.64185424      4.61057248    -11.73085104
  O     10.21082032      4.96418465    -10.25210147
  H     12.48880956     10.09434363    -12.21621440
  H     15.12459364      5.74194059    -14.75145517
  O     17.20495928      5.28284531    -12.19417222
  H      9.85886761      5.47595130    -10.99021983
  H     15.94689985      5.78791757    -13.41240821
  O     14.69463641      4.73116707    -16.20925174
  H     10.91842642      4.40920673    -10.60660518
  H     13.83302485      6.18467523    -12.83728598
  O     14.90934611      3.15698027    -10.29718232
  H     16.77786016      5.36638612    -11.32870921
  H     12.36625362      6.66718416    -12.80609834
  O     11.16086500      6.73482340     -8.42701934
  H     17.65224724      6.12798805    -12.34728261
  H     10.57258040      8.11352209     -9.65534275
  O     15.37938365      8.88255100    -13.24023243
  H     14.76846518      3.88127399    -15.73638265
  H     10.99290431      9.20029715    -10.68042759
  O     11.95488870      5.01820388    -15.37017162
  H     15.07667928      4.60490468    -17.07299486
  H     17.26672636      8.41578910    -12.72907881
  O     17.41232482      8.26204985     -9.54044987
  H     15.48390089      2.84608074    -11.00722301
  H     17.95011306      8.09707649    -11.38801832
  O     14.77065172      2.51165290    -14.69553061
  H     15.35037667      3.92661178     -9.91747886
  H     13.36006717      6.76171459    -10.61983343
  O     12.06112529      2.57454820    -13.83223816
  H     10.79003847      6.04791879     -9.01048001
  H     12.83728750      6.91259977     -9.16150480
  O     12.45324045      3.71890934    -11.40007528
  H     10.82548313      6.56487562     -7.55133482
  H     17.41661447      2.07000006    -12.48796469
  O     15.24033760      6.21181285    -13.91720320
  H     14.56433907      9.26945262    -13.58239943
  H     16.95153548      3.54311646    -12.47800309
  O     13.05154966      6.25077329    -12.27136250
  H     15.36338158      7.96109481    -13.53932134
  H     16.66702070      6.46009312     -9.48436232
  O     10.28000993      8.59122448    -10.43917266
  H     12.82740871      4.99764773    -15.78076611
  H     15.18306419      6.09009580     -9.62537507
  O     17.99104355      7.91466420    -12.33580225
  H     11.88345207      4.18884512    -14.88246643
  H      9.57228303      7.54320478    -11.58497270
  O     13.62515482      6.98008223     -9.71253078
  H     17.82313464      8.80314834     -8.87109078
  H      8.29802227      6.99245783    -12.27238228
  O     16.64094300      2.62400032    -12.53982922
  H     16.58698418      8.71040806     -9.79476431
  H     14.48698165      8.49191317    -10.16321566
  O     16.07797937      5.72105400     -9.67789040
  H     13.87131461      2.41721221    -14.35596835
  H     15.15267857      9.11287837    -11.43283656
  O      9.24226757      6.87239749    -12.21344077
  H     15.36902124      2.48279763    -13.93934481
  H     12.20548637      8.84735344    -14.12719700
  O     15.02298169      9.23548624    -10.48033131
  H     12.15440088      2.91790698    -12.92714670
  H     12.45740967     10.23883023    -14.74648564
  O     12.75556775      9.64591949    -14.06073659
  H     11.41125786      1.87731851    -13.79668964
  H     10.46243209      7.17786939    -13.55404206
  O     11.24725860      7.33937718    -14.09437652
  H     13.24658265      3.43204796    -10.92584353
  H     11.42553294      6.54421030    -14.62145547
          69
 Energy    -249.52246089133894     
  O     16.24049957     12.67791552    -16.35279242
  H     16.89032215     12.11886228    -16.79097049
  H     16.31401073     15.66081644    -17.07224466
  O     19.38458666     17.16172136    -15.17208599
  H     16.74868915     13.21463626    -15.72342386
  H     15.33335249     14.60538828     -9.51376808
  O     18.89920977     10.59587471    -14.64174781
  H     18.58056548     17.03164233    -14.64735693
  H     15.34090975     14.53229243    -11.05918999
  O     18.06691379     16.12214901    -11.14611843
  H     19.95317367     17.75888089    -14.67191772
  H     20.38521912     15.64907313    -15.27860607
  O     14.47738520     16.45318493    -14.54893718
  H     19.43718676     11.31011009    -14.26858726
  H     20.69920681     14.43402416    -16.18365116
  O     17.62004072     12.32039904    -10.86488250
  H     18.24245032     10.38580164    -13.96845290
  H     19.27072529     14.73055257    -11.16761701
  O     14.41609132     14.44016516    -12.50783881
  H     17.75054944     16.35658839    -12.03058053
  H     20.75661436     14.36286131    -10.94198699
  O     18.53547666     11.22736137    -17.22723294
  H     17.33372048     15.66489472    -10.71603228
  H     15.40485955     12.11491116    -14.73343616
  O     19.85110561     13.66059958    -17.67675050
  H     14.77368432     16.05994017    -15.39077415
  H     15.72474858     11.37122383    -13.40056433
  O     20.48724617     17.55719398    -10.92291347
  H     13.78475695     17.07111958    -14.76490239
  H     18.62410193     15.19775284    -17.54513347
  O     20.05512488     12.88530326    -13.64732171
  H     18.48218655     12.75457384    -10.85894255
  H     18.54372725     16.51109985    -16.74860398
  O     15.43627103     15.34489556    -16.81019752
  H     16.98504393     12.99968100    -10.60693639
  H     22.23743578     15.65273750    -14.21194812
  O     15.91090492     14.52900870    -10.26850407
  H     14.36790671     15.11549235    -13.19446236
  H     22.61393311     15.84119219    -12.71550675
  O     20.94207802     14.85921785    -15.35252133
  H     14.53169389     13.59130117    -12.95729972
  H     21.81784624     17.77016140    -13.57086335
  O     19.88843610     13.98560636    -11.12889171
  H     18.54630418     10.43152247    -17.75212285
  H     21.73944196     19.31188843    -13.69291495
  O     15.23016439     12.10738650    -13.78262557
  H     18.67546073     10.95376749    -16.30140549
  H     22.88683917     15.57875255    -10.15422695
  O     18.07719052     15.97808060    -17.40495739
  H     19.40389707     12.81328624    -17.53063074
  H     21.65716047     16.27126471    -10.79352312
  O     22.67882082     16.24529676    -13.58937922
  H     20.26526262     13.60383182    -18.53572530
  H     17.23980340     10.98621715    -11.89880899
  O     21.21350591     18.53384473    -13.52731642
  H     20.60973649     18.00351487    -11.76971232
  H     16.82444297      9.50252283    -12.03519177
  O     22.23571513     15.48755151    -10.84469261
  H     19.59296735     17.18979819    -10.92469803
  H     16.80273169     13.31171233    -13.72053601
  O     16.98382031     10.29651250    -12.53862773
  H     20.07881413     13.22004303    -12.74073720
  H     18.33985258     13.46030621    -13.95328552
  O     17.47966761     13.85621731    -14.13987431
  H     20.45719886     13.55591628    -14.21673940
  H     17.27865622     15.57075355    -13.89851521
  O     17.14963069     16.51702378    -13.71638826
  H     15.50037816     14.38290679    -16.82077118
  H     16.23335435     16.70442627    -13.94875629
          69
 Energy    -249.52205250237711     
  O     -3.46344356      4.83028618      2.85644097
  H     -3.29879745      4.25267815      2.09159856
  H      1.48852401      7.33182583     -3.74600621
  O      1.35896251     10.40712497      1.20188460
  H     -4.14767036      4.41274593      3.37366662
  H      1.81923827      3.01953312      3.14129089
  O     -0.55552821      8.51708371     -1.56168571
  H      0.69430458     10.73965233      0.58531815
  H      0.55385974      3.87083230      2.87674882
  O     -0.02463832     10.22688608      3.53203719
  H      1.53388716      9.49513513      0.93162154
  H     -0.26376126      5.47875030     -3.52252260
  O     -2.33124836     10.28893008      1.81853804
  H     -0.66894935      9.43399459     -1.28292316
  H     -1.70089910      4.91959574     -3.29924598
  O      1.26844936      7.68939538      0.42352157
  H     -1.37078340      8.05148105     -1.32443972
  H     -1.02532053      1.57163211     -2.45140158
  O     -2.69689501      7.00920603     -0.68295425
  H      0.33772102     10.74568519      4.24444373
  H     -1.34770872      2.85989031     -3.23322701
  O     -2.95170836      7.51754926      2.04467138
  H      0.54962502     10.36710391      2.75702446
  H      1.31300613      2.56308882     -1.87501972
  O     -0.92991317      4.92491868     -0.49781857
  H     -2.74078624      9.41932394      1.90686820
  H      0.97539271      3.83761126     -2.66267839
  O     -2.78369598      3.30178089      0.69096083
  H     -1.66498912     10.34157464      2.51580271
  H     -1.60889787      4.82541544      3.39936825
  O     -0.52151034      1.59212678      1.02004056
  H      0.66868324      7.88631630     -0.30886413
  H     -0.44971059      5.83917405      3.33833889
  O      0.60096742      7.02117441     -3.58487888
  H      1.58502876      6.78267024      0.31272987
  H     -3.26310147      2.38548949     -2.16879416
  O      1.23113636      3.31362022      2.45061893
  H     -2.07296808      6.27371558     -0.57182424
  H     -4.79216960      2.17921348     -2.05339412
  O     -0.76101986      4.67412629     -3.31274011
  H     -2.94230349      7.27504203      0.21151878
  H      1.87012680      4.43043296     -0.57430320
  O     -1.73398267      2.03372759     -2.91631464
  H     -3.28554017      6.67055773      2.36289838
  H      1.71871686      4.37385596      0.98504389
  O      1.63237467      3.45378458     -2.07270168
  H     -2.00789527      7.52471815      2.26659592
  H     -3.76974347      4.50500862     -2.43426711
  O     -0.65544865      4.90838458      3.50635200
  H     -0.85792307      4.75666140     -1.44673848
  H     -3.36041030      5.96973844     -2.14279416
  O     -4.06844962      2.70239350     -1.71955938
  H     -0.03020070      4.97194385     -0.15514113
  H     -0.14839791      8.39755597      3.17805856
  O      1.76645513      4.96858709      0.22590460
  H     -2.09180758      3.86615489      0.30995916
  H      0.28989764      7.56445707      1.94346538
  O     -3.38276385      5.29348363     -2.83281503
  H     -3.34474581      3.03499281     -0.04802262
  H      0.08833124      1.14264952     -0.53522413
  O     -0.24820863      7.54006799      2.74742271
  H     -1.36336331      2.06355370      1.00544998
  H      0.77643612      0.07808434     -1.42448628
  O      0.42158877      0.96281387     -1.43258045
  H      0.08549848      2.13039655      1.54349880
  H     -1.27691550     11.85757476     -0.74055011
  O     -0.93985537     11.03363193     -0.39922188
  H      0.21405046      7.63033446     -2.93647020
  H     -1.50665154     10.78840933      0.35419897
          69
 Energy    -249.52070484251936     
  O     15.30244374      9.75924609    -10.27454630
  H     14.81276121     10.23542275    -10.95945408
  H     17.12467083      2.95978192    -12.43711875
  O     11.94356618     10.47949922    -15.33396959
  H     14.66090220      9.28316391     -9.73107067
  H     14.32861518      7.50465341     -8.60805143
  O     16.46657366     10.88750414    -13.95684200
  H     12.61447555     10.43878021    -16.02622239
  H     13.06414947      8.18647328     -8.03101604
  O     15.08858277      5.35143034    -10.95421241
  H     12.08291615     11.32459889    -14.88979135
  H     17.59010972      6.33728434    -15.63997947
  O     18.42278325      7.07032044     -9.04327348
  H     17.25142772     10.83949341    -13.39952034
  H     18.79004291      6.75037251    -16.52931804
  O     15.00060584     12.68298943    -15.59815110
  H     15.68611280     10.79843758    -13.39135402
  H     13.61222380     12.91354917    -14.54335412
  O     16.09340768      7.70787635    -12.04568710
  H     14.19832892      5.64543938    -11.20443475
  H     12.51427267     13.72659563    -13.81390778
  O     14.06448932     10.74670592    -12.50655394
  H     15.43517105      4.71394504    -11.58573740
  H     12.14658863      9.17083622    -14.07700716
  O     18.58701076      7.81541441    -13.19019181
  H     18.31879080      7.99606764     -9.32581750
  H     13.18843114      8.04999036    -13.83068445
  O     18.85047352     10.43243031    -12.48573289
  H     19.08139900      7.07062314     -8.35291357
  H     14.86813599      9.93370840    -16.90160631
  O     16.45524577      5.19183122    -15.04357482
  H     14.71479626     12.05844234    -16.27724827
  H     14.07476385     10.33168581    -18.16597164
  O     16.86579771      3.86627277    -12.58122377
  H     15.65310305     12.20730933    -15.06679152
  H     12.51778317      7.37198770    -11.93347475
  O     13.59116722      8.10603228     -8.82127986
  H     15.84284240      6.88205735    -11.60926612
  H     12.88892337      7.24258962    -10.43882270
  O     18.16755676      7.08329277    -15.88887033
  H     15.85982627      8.42488061    -11.44452929
  H     15.48537054      5.89592320     -9.28408831
  O     12.85606339     12.84505999    -13.93336514
  H     13.61435654     11.52678670    -12.85243706
  H     16.62132227      6.65327932     -8.57531663
  O     12.51850120      8.59565074    -13.39278195
  H     13.53181220      9.97932845    -12.76149889
  H     18.59171696      5.98471777    -10.59535064
  O     14.14176598     10.49060739    -17.22755158
  H     18.51282568      7.56736604    -14.11921585
  H     18.85890216      6.28159654    -12.07764659
  O     12.74574638      6.73371415    -11.24622377
  H     17.69923824      7.75895605    -12.79747043
  H     15.17853312      7.46303093    -13.57339604
  O     15.68698781      6.42936201     -8.50000771
  H     18.87808183      9.49632291    -12.75160197
  H     15.12488619      7.92491446    -15.05098770
  O     18.68592222      5.56180375    -11.45823338
  H     19.71004558     10.80090597    -12.67464979
  H     17.07597014      9.78843089     -9.87130925
  O     14.72991570      7.30968968    -14.41972392
  H     15.70016282      5.76842470    -14.86210335
  H     18.37610469     10.00399418    -10.66526865
  O     18.03278831      9.64166210     -9.84155517
  H     16.59306144      4.66443969    -14.24713110
  H     16.37206480      9.70821033    -15.30637565
  O     16.18478923      9.09264911    -16.03251602
  H     17.54166402      4.42241778    -12.15274220
  H     16.92278011      8.47472216    -16.09491260
          69
 Energy    -249.52068350994796     
  O     -9.68253335      1.05132593      3.22983675
  H     -9.27636216      0.18324819      3.08106374
  H     -9.68755859      3.22556955      0.93355334
  O     -6.14103563      0.71773520      6.63033809
  H    -10.21457685      1.01689648      4.03689501
  H     -5.25138658     -0.13323043      2.82652712
  O     -8.44224163     -2.72104211      5.45043462
  H     -5.92415081     -0.18856882      6.36483337
  H     -4.86883399     -1.47326701      2.16053168
  O     -7.86455591      4.38494456      5.76387985
  H     -6.61750839      1.11104836      5.88374228
  H    -11.91375684      1.60671145      5.46373479
  O    -13.35111807      2.71293516      5.09773341
  H     -8.91079585     -2.08014872      6.01436133
  H    -10.55690931      1.84504798      6.17609538
  O     -7.37643735      1.95638698      4.48607288
  H     -8.81189317     -3.57795888      5.64489570
  H    -11.47431740      5.80089660      5.34275276
  O     -8.09930491      0.95508495      8.50402377
  H     -6.94839288      4.68279671      5.83370945
  H    -11.67481345      7.22093932      4.76067613
  O     -9.65471199      2.97829283      7.29065023
  H     -8.25441823      4.81369938      4.98842009
  H    -11.66044734      3.88183697      2.51492835
  O    -11.82907066      4.63952305      6.59683436
  H    -13.07455943      3.19742912      4.29915064
  H    -12.12943456      5.02118069      3.43826615
  O     -6.12132003      5.57222382      2.93167532
  H    -14.28555143      2.54617079      5.01102805
  H     -8.41220124     -1.83296351      3.79282184
  O     -5.08632188      1.61459876      3.00048068
  H     -8.17848301      1.63396323      4.05855764
  H     -7.36713899     -1.22260806      2.84219723
  O     -9.96474672      3.35470686      1.83722814
  H     -7.56784711      2.81470430      4.88335443
  H     -9.23688837      4.71934287      2.86416881
  O     -5.45398600     -1.08391142      2.80525427
  H     -7.76486562      0.81647215      9.38623749
  H     -9.71955403      5.87129727      3.78461776
  O    -11.04705095      1.21526076      5.62716841
  H     -7.34046364      0.87531662      7.89957366
  H     -4.54160647      4.14999331      0.57249840
  O    -11.32483108      6.35781934      4.55734184
  H     -9.16076220      2.34751989      7.82810091
  H     -5.45666151      4.40572311      1.78074963
  O    -12.41700773      4.19782067      3.02395651
  H     -9.00153321      3.51690898      6.81877390
  H     -9.18786832     -0.32764700      7.56687842
  O     -8.31602462     -1.28108321      3.00599861
  H    -11.11276830      4.12664062      6.99337875
  H    -10.28843968     -0.25250470      6.49156302
  O     -8.93052464      5.42889190      3.44500723
  H    -12.44699712      3.99451261      6.23122904
  H     -6.62908399     -2.19167812      5.58153920
  O     -5.08371146      3.70527428      1.21852833
  H     -7.07699883      5.64540398      3.04419634
  H     -5.55637045     -1.60996244      4.64367251
  O     -9.70683876     -0.86647532      6.95877004
  H     -5.74930218      5.46592142      3.81549597
  H     -4.70549802      1.89578826      6.08396699
  O     -5.75710726     -1.77593757      5.57337791
  H     -5.91497827      1.77710539      3.47800101
  H     -4.28292539      2.19608576      4.63729733
  O     -4.20508627      2.52081166      5.54430149
  H     -5.02278801      2.29051827      2.31150336
  H     -4.56580820      5.62030317      6.08624011
  O     -5.16699491      5.05603506      5.60775393
  H     -9.86474366      2.49683370      2.28536899
  H     -4.77029489      4.16673323      5.59914820
          69
 Energy    -249.52064940205747     
  O     13.53648951     13.50762861    -13.79086759
  H     13.29400704     12.88842824    -14.49136719
  H     18.60515963     11.24360534    -14.69920459
  O     17.46185401      6.68245930    -14.88346361
  H     14.34173587     13.93952245    -14.09746466
  H     15.01031886     10.22057126    -18.69417906
  O     19.14581455     10.02782827    -11.44354303
  H     16.68140552      6.12189488    -14.97477831
  H     16.02567534     10.52060441    -19.82375369
  O     17.47130159     13.62676382    -12.66617979
  H     17.45603198      7.28152398    -15.63889915
  H     16.59128958      9.49765313    -12.94681647
  O     14.93613285      5.35574605    -14.99029388
  H     18.77166686      9.24194574    -11.86814821
  H     16.00236834     10.86735843    -12.48080842
  O     14.16819134      6.70288683    -12.77040580
  H     18.61874559     10.13694482    -10.64467804
  H     14.28067392     11.74269712    -16.05521789
  O     13.28251713     12.66467551    -11.24040821
  H     17.03869002     13.93167651    -13.47230474
  H     13.41157872     10.77897730    -15.19528872
  O     13.44886938      9.76467856    -18.05839129
  H     18.26018206     13.13901247    -12.93363620
  H     16.82160399      7.80506132    -11.91100816
  O     15.38455545      8.15044588    -10.65539920
  H     14.65966484      5.73446301    -14.13593284
  H     17.52723635      7.48035461    -13.28854357
  O     17.03437591      8.79501886    -16.82277663
  H     14.65976145      4.44370831    -14.99200978
  H     15.07524652     12.33377361    -11.01900131
  O     14.46545484      7.76880240    -16.35380292
  H     13.85819698      7.52472264    -13.16837136
  H     16.51644396     12.68711694    -11.53535420
  O     17.83955942     10.90351000    -15.17493699
  H     14.55060893      6.96648451    -11.92497148
  H     19.52332266     11.24753236    -12.62016755
  O     15.93176311     10.48012989    -18.87604853
  H     12.66632024     13.22574630    -10.77760454
  H     20.60740599     12.11791186    -13.29596561
  O     16.07290955     10.26538619    -13.23130532
  H     13.32868963     12.99332221    -12.15644725
  H     17.11291381     10.42324462     -8.51583958
  O     13.37121836     11.53230819    -15.80010434
  H     13.18494946     10.41825853    -17.39867703
  H     16.67526288     10.85859512     -9.93362657
  O     17.54441372      8.04608632    -12.50315895
  H     13.63456902      8.95486831    -17.56287123
  H     16.70633385     11.83596572    -16.16236631
  O     15.99427240     12.04061305    -11.03475773
  H     14.62404706      8.72649071    -10.83380050
  H     15.99250689     11.81201831    -17.53070842
  O     19.67700796     11.91154480    -13.31719453
  H     15.98392953      8.67938018    -10.11598765
  H     13.13194691      9.65328961    -12.32207437
  O     17.08252772     10.13521510     -9.42471864
  H     17.43104578      9.45959328    -16.24166522
  H     13.17289219     10.75564638    -11.25551606
  O     16.00354452     12.26173636    -16.67778226
  H     16.79131782      9.26727358    -17.62835327
  H     15.98782076     13.74875879    -15.66714708
  O     13.24068288      9.80092721    -11.37511707
  H     14.54195886      6.86344626    -16.02882265
  H     16.06244947     15.27469634    -15.44345531
  O     15.98111191     14.44078012    -14.98606565
  H     15.36709568      8.09707430    -16.48620630
  H     13.90729188      8.72003102    -14.92809683
  O     13.71268192      9.25138727    -14.14264192
  H     17.17356168     10.71228645    -14.49421815
  H     14.55728983      9.60811055    -13.81857234
          69
 Energy    -249.52048935410235     
  O     12.91103390     12.03738058    -16.51119497
  H     13.63363472     12.56101662    -16.15107878
  H     18.02341582      8.50355650    -12.17954027
  O     15.01234745      7.38586056    -13.16339436
  H     12.33570863     11.79126720    -15.77182074
  H     17.38103665     10.40000544    -16.31151079
  O     16.43392461     11.25047196    -11.35087878
  H     15.00287927      8.09149451    -13.82933957
  H     16.73804566      9.39084991    -17.35993496
  O     17.53594959     11.98650218    -15.56769167
  H     15.58959516      7.68854172    -12.44990538
  H     14.13932200      9.09090673    -15.60634082
  O     12.75401621      8.23643652    -16.58545568
  H     17.28091548     11.47347631    -11.75377454
  H     15.67386827      9.39543426    -15.56604874
  O     12.55585872      8.08878079    -12.12360568
  H     15.77901728     11.36878279    -12.05642617
  H     11.50925240     11.24529220    -13.49781374
  O     14.57504880     11.50551631    -13.35185244
  H     17.91461011     11.92108145    -14.68207717
  H     11.07360547     10.17848366    -14.49961718
  O     16.08713576      5.96047145    -15.32341205
  H     16.76194069     12.55797317    -15.50307620
  H     11.60259866      8.16827043    -15.24432986
  O     13.94045754      8.17370756     -9.68821590
  H     13.31502583      7.51867450    -16.90959421
  H     10.18467776      7.80111039    -14.75079318
  O     18.50378167      7.43317398    -15.30024613
  H     12.71373314      8.90496246    -17.28357257
  H     19.60795941     11.83637927    -12.78757564
  O     14.61524266      6.40339739    -17.54354452
  H     11.91567710      8.05532907    -12.84489420
  H     18.76829035     10.54950639    -12.95903638
  O     18.67787287      8.81606697    -12.81535615
  H     13.39073018      7.76890744    -12.49939106
  H     16.46292825      9.44175033    -11.12483695
  O     17.22529122      9.46782067    -16.52694728
  H     13.75892743     11.36627710    -12.85488336
  H     15.72439536      8.27181276    -10.44221994
  O     14.86555463      9.36851643    -15.03696208
  H     14.66840965     10.76499388    -13.96966877
  H     14.08783457     10.12039079     -9.50865089
  O     11.29051385     11.11474686    -14.42908032
  H     15.67192174      6.26427671    -14.50547567
  H     14.97122000     11.25205447    -10.06545933
  O     10.99816371      8.22307484    -14.48456052
  H     16.97265451      6.34550035    -15.31952168
  H     14.72741249      9.44842079    -18.65569775
  O     18.72846673     11.52309827    -12.98327484
  H     13.35744675      8.09474508    -10.46005978
  H     15.27375342      8.03727281    -18.35847320
  O     16.44587372      8.47524413    -11.04883248
  H     13.58591000      7.59127545     -9.02032337
  H     12.83768672     11.11464919    -10.99591384
  O     14.10682051     11.07092183     -9.67448880
  H     19.31561635      7.22831568    -15.75748126
  H     12.37535962      9.95006814    -11.90148325
  O     15.54102157      8.93175116    -18.60443435
  H     18.09172621      8.17626246    -15.77793738
  H     14.88403009     12.82912591    -14.44819493
  O     12.35669326     10.91255114    -11.81172465
  H     14.54682196      5.58745476    -18.03187718
  H     14.96015275     14.31787297    -14.86296789
  O     15.07839585     13.42926433    -15.18998146
  H     15.15870429      6.21352274    -16.75766355
  H     12.50443683     10.57889205    -19.22878778
  O     12.99776633     10.24806935    -18.48368977
  H     18.60885263      8.25659483    -13.59828201
  H     12.98777831     10.95031611    -17.80598329
          69
 Energy    -249.51994648248012     
  O     11.80843044     11.36622675    -13.69934090
  H     12.19149182     10.82444572    -14.40363511
  H     14.99662219     12.02929804    -16.41517831
  O     16.27458525      7.19216312    -14.50070622
  H     12.44579397     12.07136852    -13.54153993
  H     15.89519408      8.91709480    -14.22739429
  O     17.53547989     10.12616654    -11.07299091
  H     17.04219495      7.28212689    -13.91572212
  H     16.30651068     10.40025150    -14.48875844
  O     17.68359430     11.55292691    -14.99344445
  H     15.54133468      6.89842657    -13.94209534
  H     10.12126048      9.48349221    -11.75694943
  O     14.76937154      7.41127985     -9.00210829
  H     16.66729865     10.52943989    -11.21185562
  H     11.23479229     10.13048302    -12.61633733
  O     14.28684290      6.70238808    -12.60933962
  H     17.50864959      9.63992375    -10.23905111
  H     18.12190445      6.66447621    -11.25904801
  O     15.05600762     11.12845196    -11.81983293
  H     18.20271178     11.04189682    -15.62860602
  H     17.09693603      5.77932509    -10.50372122
  O     16.78089452      8.50335639    -16.97745582
  H     18.22739217     11.65159515    -14.20221128
  H     11.53535989      7.99823387    -13.38192555
  O     15.26955655      5.17268445    -10.45779254
  H     15.61177941      7.85130746     -8.83881351
  H     12.71883966      7.03846810    -13.61806749
  O     19.11444369      9.80246938    -16.65036689
  H     14.27461970      7.98646279     -9.60317123
  H     19.77219436     12.16508955    -12.17430186
  O     20.20753201      9.16536371    -14.08716407
  H     14.09165033      7.50088408    -12.09816547
  H     18.70956493     11.05117288    -12.03314823
  O     15.25363541     12.68117601    -15.75352504
  H     14.59303309      6.04644825    -11.97130877
  H     17.91581145      8.60272618    -12.18619091
  O     15.62473517      9.83575492    -14.10282889
  H     15.24296781     10.60861073    -12.62137223
  H     19.01831693      8.16774941    -13.18203303
  O     11.01232556      9.35490333    -12.06979383
  H     14.68273882     11.95425986    -12.14602031
  H     17.96688535      8.42023397     -8.03549587
  O     17.91780089      6.27503859    -10.39727878
  H     16.03615299      9.08975516    -17.15507443
  H     17.68745104      7.63140025     -9.33853006
  O     11.99569469      7.49703978    -14.06629172
  H     16.53292801      7.92937137    -16.24067441
  H     13.99572189     10.08638800    -16.84372216
  O     19.28146769     11.51372189    -12.66885911
  H     15.04419293      5.91114738     -9.86230933
  H     14.18797936     10.42538978    -18.33920473
  O     18.25029205      7.84783275    -12.68665081
  H     14.96765497      4.37340675    -10.03469282
  H     12.63967240      9.05305287    -11.27152076
  O     17.45816135      8.43892650     -8.84175320
  H     18.31260136      9.27432637    -16.81777535
  H     14.02805178      9.74546356    -11.20552574
  O     14.63823413     10.41375249    -17.49799920
  H     19.58422523      9.86000366    -17.47769201
  H     13.85889525     14.17287314    -13.33627689
  O     13.56164683      8.92103856    -11.01546136
  H     20.07185235     10.00262505    -13.62687462
  H     14.39807356     13.05335904    -14.25138151
  O     13.96415363     13.22692000    -13.39722880
  H     19.92752891      9.31714608    -14.99892077
  H     13.99636137      9.70180677    -14.88685327
  O     13.17377888      9.59173635    -15.38745126
  H     16.17036772     12.46517368    -15.53106970
  H     12.73837022      8.79399737    -15.05428951
          69
 Energy    -249.51965077132724     
  O     19.05526501     10.29349209    -14.55449560
  H     19.26183956      9.41596953    -14.90701603
  H     16.82216316      3.86468796    -15.48236039
  O     20.94731471      7.42492801    -12.72411982
  H     18.11399531     10.42882023    -14.70991304
  H     15.57415692     10.24576942    -13.30198714
  O     17.58077560      6.88613738     -9.72898492
  H     20.64805692      7.42338268    -13.64358120
  H     16.24535993      9.74268003    -12.00201098
  O     14.38930120     10.33212643     -9.80788643
  H     20.84711628      8.33701815    -12.42686460
  H     18.03445733      6.31882456    -12.76260207
  O     16.22172434     10.43586504    -15.06146320
  H     17.14348989      7.41226203     -9.04352152
  H     17.49362258      7.75137929    -12.77658217
  O     12.59618259      8.11526498    -10.06917471
  H     16.86484196      6.37809265    -10.13939585
  H     14.47505386      8.41233336    -12.41999591
  O     18.70540215      3.37025887    -12.95883861
  H     14.27880743     11.24752495     -9.56126773
  H     14.24142171      7.12017966    -13.24006698
  O     15.30287881      5.63414508    -10.75145574
  H     14.70082061     10.33105908    -10.72717809
  H     19.96593871      6.21154980    -11.87115246
  O     15.90488353      3.40164996    -12.36479342
  H     15.90427170     11.12358910    -15.64202276
  H     18.86681850      5.99242829    -10.77102575
  O     15.03829918      3.56533326    -14.90292880
  H     16.21298819      9.61331316    -15.58315030
  H     18.47934939      5.87853094    -18.10159706
  O     19.48412485      7.59301260    -15.14257464
  H     12.90098719      7.85002977    -10.94880217
  H     18.08040275      5.45339726    -16.67046744
  O     17.74791979      4.11847654    -15.58478712
  H     13.05038521      8.94829371     -9.89054292
  H     15.13772591      7.64536152     -8.12881058
  O     15.39578901     10.02509158    -12.38025812
  H     19.30931172      2.64958067    -12.79672922
  H     15.40499109      9.05223246     -8.68663250
  O     17.49939834      6.92922313    -13.28464260
  H     19.00410936      4.11204211    -12.40532008
  H     19.83342289     10.28980746    -13.00815998
  O     14.04306247      7.54830985    -12.39610819
  H     14.79685571      5.68165132     -9.92991054
  H     20.72834188     10.89558593    -11.89610638
  O     19.29335222      5.59509359    -11.54047236
  H     14.90927987      6.28593316    -11.34844605
  H     15.00556779      5.40473801    -14.77516015
  O     18.25458641      6.22310050    -17.24167460
  H     15.71217130      4.12513929    -11.75371834
  H     15.98183594      6.45836662    -14.16618757
  O     15.81427313      8.33168227     -8.19370207
  H     16.86442659      3.34229461    -12.44776492
  H     15.67023441      7.50337476    -15.91159681
  O     20.20180613     10.13316450    -12.11841355
  H     14.38236393      2.90738899    -15.11330467
  H     16.89645849      7.57080753    -16.83012582
  O     15.12347810      6.34670133    -14.60661076
  H     15.27502070      3.44266451    -13.96439840
  H     13.25485435      6.91188633     -8.98551885
  O     16.18968350      8.10985282    -16.45877761
  H     19.26295353      7.16471952    -15.97697039
  H     13.19629372      5.86321870     -7.84715330
  O     13.78932550      6.28942138     -8.45950491
  H     18.75457680      7.36995827    -14.54459858
  H     18.60471729      9.42776681    -11.55889848
  O     17.72521884      9.04355327    -11.45901753
  H     18.17282762      3.88333466    -14.75191614
  H     17.75778115      8.35419535    -10.78200600
          69
 Energy    -249.51922818282088     
  O     15.55942772      9.59888246    -14.41889477
  H     14.88180786      8.96276147    -14.63271814
  H     18.61712006     10.91561554    -10.23153262
  O     17.66786087     15.71503344    -16.17278506
  H     15.93583315      9.90070726    -15.26450140
  H     20.88018750     16.78885315    -11.74332981
  O     21.79931046     10.19233102    -15.60617945
  H     17.47700627     16.41419390    -16.79174291
  H     19.39559514     16.54352641    -12.07921153
  O     19.04734943     12.79129190    -10.14398713
  H     18.45319309     15.24379100    -16.50753051
  H     21.54646907     10.94513032    -10.96429823
  O     15.10200728     12.28485490    -13.33241425
  H     21.79671100     10.94247647    -14.98566964
  H     20.63670941     12.19372232    -10.79386675
  O     21.27812835      9.12671142    -10.88355732
  H     22.69685942     10.09384400    -15.91458223
  H     18.06110931      9.67799440    -12.21319460
  O     19.51245399     11.41338545    -16.79743516
  H     18.37850117     13.06505283    -10.78810637
  H     17.14160557      9.44154900    -13.47888956
  O     21.07539860     14.90760978    -14.32413876
  H     19.33741877     13.59331873     -9.69193251
  H     19.82641836     13.33308843    -16.96170237
  O     20.07440218     15.22493639     -9.16391249
  H     15.13012297     11.34435619    -13.54022238
  H     20.45385916     14.46100593    -16.09145792
  O     21.49119416     12.25309442    -13.83409574
  H     15.36960318     12.72374172    -14.15224533
  H     22.67043610     15.56887795    -11.70659403
  O     16.69045172     10.67362471    -16.67811961
  H     21.72052855      8.38442936    -10.48145038
  H     23.42054915     16.74851466    -12.37249770
  O     18.54274811      9.99789162    -10.52120358
  H     21.12045622      8.89110176    -11.81583024
  H     18.11099253     15.79249396    -14.33107534
  O     19.99189124     16.81201647    -11.36764460
  H     20.30385643     10.89140474    -16.61776707
  H     17.99367466     14.97682979    -13.00579647
  O     21.50073549     11.89734405    -11.11695393
  H     19.13782077     11.59569740    -15.92407713
  H     21.79501386     14.68855955     -9.84571679
  O     18.04943524      9.56106173    -13.17624545
  H     20.19022303     15.14076245    -14.00923330
  H     22.35059255     13.49111600    -10.63328866
  O     19.86816818     14.28912562    -16.84016145
  H     21.69706042     15.41139706    -13.78322737
  H     21.04288692      9.02795518    -14.25755702
  O     22.61862827     16.23515179    -12.41595070
  H     19.89605652     15.73155554     -8.37614028
  H     19.71812791      8.83113535    -13.47930829
  O     18.50683668     15.65827863    -13.46150251
  H     19.97374520     15.83290558     -9.91840981
  H     18.48705987     11.11936457    -13.82149536
  O     22.52872345     14.41414487    -10.41010910
  H     21.45740795     13.20409154    -14.00879820
  H     19.69352341     12.10413863    -13.99980259
  O     20.66276503      8.61971034    -13.47245226
  H     21.57153600     12.12280059    -12.87855326
  H     17.29111082     12.88404264    -15.07177570
  O     18.74352983     11.99877877    -14.14230748
  H     17.60474914     10.68516765    -16.97952644
  H     16.77750142     14.11583649    -15.84777880
  O     16.53488779     13.22543164    -15.56900760
  H     16.48108362     11.59933845    -16.48555705
  H     16.45990398     13.09802056    -12.40087046
  O     17.35197665     13.42969928    -12.22642843
  H     19.43729842      9.63646802    -10.48764388
  H     17.92520250     12.92777793    -12.82439038
          69
 Energy    -249.51892027976334     
  O     18.16193734      9.87076693    -10.47456255
  H     18.47940831     10.40930475     -9.74196278
  H     14.41343881      8.73696737     -5.14312887
  O     14.00770224      5.10068460     -8.80165062
  H     17.70713998      9.12316046    -10.05285780
  H     17.40990372      5.95314981    -13.69692963
  O     18.68186029     10.88538867     -7.87585220
  H     14.47304374      5.48002706     -9.56581037
  H     17.87013462      7.02343494    -14.70650425
  O     12.81711150      7.61433954     -8.10318811
  H     13.59948255      4.29217806     -9.10052461
  H     14.89623636      7.02045245    -11.37216956
  O     15.88774290     10.61283251    -11.85894816
  H     19.23764101     11.56505168     -7.50549747
  H     15.83027156      6.98916963    -10.13651041
  O     19.39958913      8.01084481    -12.08595175
  H     19.14356635     10.03674800     -7.73251936
  H     18.13673901      9.20999065    -14.70866545
  O     20.87648077      7.12652814     -9.83295265
  H     13.10974873      6.72142594     -8.32015838
  H     19.45224515      8.96773065    -15.48907944
  O     17.85904594      5.69384353    -11.81977391
  H     13.33607083      7.88205072     -7.33579763
  H     16.34451637     10.38214767    -13.68116868
  O     12.81426584      9.47852082    -10.13094888
  H     15.37471310     11.06099503    -11.17646335
  H     15.93772529      9.37482557    -14.77929799
  O     15.94711143     10.23397274     -7.60243392
  H     16.73690925     10.39833662    -11.44670011
  H     16.35489854      8.69911400     -8.54042324
  O     14.42646975     11.52874994     -9.58387858
  H     19.35978355      8.25635716    -13.01806826
  H     17.27685777      7.43666809     -8.48768601
  O     14.62247752      8.39552781     -6.00962998
  H     19.04175583      8.75423936    -11.57982008
  H     20.36123829      8.14852261     -8.37924971
  O     17.19060010      6.35631492    -14.54502071
  H     20.45868279      6.26869949     -9.69640314
  H     19.33746579      7.76787590     -7.31040595
  O     15.37377799      6.42338656    -10.78111106
  H     20.53514588      7.44159009    -10.67975389
  H     15.30029196      6.60639176     -6.28161715
  O     18.92027344      8.63462596    -14.77169874
  H     16.97058167      5.90986666    -11.50170651
  H     15.07938033      5.43407611     -7.25803675
  O     16.60492486     10.03125281    -14.54243724
  H     18.36422484      6.51875375    -11.88906569
  H     14.81838605      9.13627377    -12.18670106
  O     16.74601934      7.99541792     -9.07230583
  H     13.10289889      9.02002511    -10.92873704
  H     14.31265322      8.14940516    -13.27011647
  O     19.88418766      8.50328809     -7.61538266
  H     12.73899224      8.81202675     -9.43171151
  H     18.70504831      4.98131769    -10.38874802
  O     15.64690324      5.74380635     -6.54121977
  H     15.44361446     10.74461894     -8.25118563
  H     19.48615538      3.85154236     -9.68456915
  O     14.22499368      8.38632502    -12.33874792
  H     16.86275068     10.54410279     -7.62113317
  H     18.49042736      5.64567847     -8.05647247
  O     19.17815807      4.74780019     -9.57349357
  H     13.92858193     12.33935536     -9.52140789
  H     17.34428255      5.97420768     -7.03009459
  O     18.17198953      6.29627065     -7.41823772
  H     13.78233914     10.81396033     -9.75285145
  H     14.45216933      7.43850045    -15.75458366
  O     14.90035450      7.75748855    -14.97617225
  H     15.09282689      9.10218442     -6.47999827
  H     15.67436442      7.18208002    -14.83959493
          69
 Energy    -249.51857535385403     
  O      1.88318833     -2.48056172      5.10131014
  H      2.47812676     -1.71853394      5.06630473
  H      2.58914258     -1.64292832      0.05597024
  O     -3.92035994     -2.23028045      6.23087438
  H      1.48083144     -2.59587413      4.23091709
  H      1.08208416      2.12113122      4.29350905
  O     -1.84048886      0.39750516      9.00212419
  H     -3.23351592     -2.61116431      6.79741670
  H      1.11199225      1.25042590      3.01879907
  O     -0.59155528     -5.41764180      6.69181533
  H     -4.02947773     -1.32288045      6.53490949
  H      0.81099816     -0.08540300      1.21173063
  O      0.48104709     -2.72370466      2.72671783
  H     -1.03736251      0.79322726      8.64090776
  H     -0.56947702      0.05923996      1.88163217
  O     -1.10695930     -4.57862918      4.16877539
  H     -1.55040179     -0.40338251      9.45605585
  H     -0.76502039      3.59925452      5.26058076
  O      1.86160007     -4.08364454      7.35858737
  H     -0.74442243     -5.15508708      5.76578664
  H     -0.96544149      2.06486683      5.20086808
  O      3.07142809      0.31532131      7.98195018
  H     -0.75639065     -6.35519968      6.74098166
  H      3.21327398      0.91812063      2.58862907
  O      1.75863336     -2.01607977      9.16620862
  H      1.07279556     -2.40036378      2.03632640
  H      4.01006342     -0.15057099      3.29694177
  O     -0.75756091     -2.00440535     10.08834223
  H     -0.26322734     -2.10669884      2.76840312
  H     -0.79070344     -1.84584277      6.76013131
  O     -1.79378781     -1.03227384      2.81287523
  H     -0.47305733     -4.09949635      3.62092410
  H      0.46742857     -1.65245004      5.86405484
  O      2.17950299     -1.42665225      0.88937808
  H     -1.95951033     -4.15535690      4.01051111
  H     -4.31256811     -3.44995695      3.35904221
  O      1.66225775      1.58447059      3.74463129
  H      1.98693739     -3.59443639      6.53212848
  H     -3.69601582     -2.76950939      4.60486136
  O      0.22064268      0.55377901      1.62856238
  H      1.09978648     -4.65138214      7.19982889
  H      0.28295543      1.80578952      6.90905525
  O     -0.32367948      2.76668876      5.40725066
  H      2.18102408      0.70060407      7.91334006
  H      0.26122582      0.26998231      7.14933768
  O      3.80222044      0.17379036      2.41170378
  H      3.57260793      0.88024113      8.56546788
  H     -3.15876991      0.44080207      7.85565202
  O     -0.28388344     -1.19382253      6.26049705
  H      2.30434227     -1.31548893      8.79881358
  H     -4.56393098      0.98300423      7.50577292
  O     -3.50229989     -3.08370785      3.70304297
  H      1.85229128     -2.78200888      8.57771873
  H     -1.35458359     -3.94593141      7.47603490
  O      0.49438192      1.12153804      7.55561652
  H      0.17199660     -1.98049357      9.79249622
  H     -1.45238850     -2.84917568      8.59595637
  O     -3.83511424      0.47831764      7.15535031
  H     -0.74977713     -2.30359281     10.99314854
  H      2.72685317      0.47543703      4.77719206
  O     -1.75195362     -3.09730030      7.71242433
  H     -2.43350383     -1.73527006      2.98289530
  H      3.36946410      0.02954894      6.12899406
  O      3.33954889     -0.15730597      5.18372572
  H     -1.91535693     -0.39184496      3.52751134
  H     -1.36141982     -0.07902549      5.42663461
  O     -1.96457862      0.59567992      5.07145961
  H      2.83212717     -0.91337420      1.39638133
  H     -2.71245449      0.63057934      5.68080670
          69
 Energy    -249.51835660335001     
  O     17.44172145     11.83787243    -12.23215547
  H     17.83406502     12.65054841    -11.92470004
  H     17.81049851      6.90319305     -9.86109235
  O     14.78981095      6.71314750    -15.00538016
  H     17.37474184     11.24766919    -11.46003759
  H     15.80967821      8.35722197    -12.34018345
  O     13.93287194      6.31394493    -10.53780770
  H     15.26244366      7.23559257    -14.33500899
  H     16.87817308      8.70919057    -13.42132730
  O     17.16655519      9.06262060    -16.39960487
  H     15.45912963      6.45169836    -15.64821066
  H     14.34788896     11.31505666    -13.28704368
  O     10.73657423      8.85892767    -11.84389300
  H     13.96360579      5.88581222    -11.40662463
  H     15.82363324     11.80354701    -13.23693127
  O     13.01728684      8.77088805    -15.27039079
  H     13.00140690      6.36487011    -10.28965985
  H     11.03911133      6.02705049    -13.43110383
  O     14.77979173      8.93111219    -10.93830783
  H     17.65883193      9.38067051    -15.62913442
  H     12.15292214      5.07484545    -12.92301418
  O     10.65422944      7.60848247    -14.44449385
  H     16.36155771      9.59117506    -16.43738129
  H     14.93888043     11.11598967    -15.42093953
  O     17.96131415      5.92507363    -13.80166395
  H     10.84619767      8.13378451    -11.21797493
  H     14.67719068     11.40520886    -16.91734751
  O     17.14118014      6.36469754    -16.50872067
  H     10.55893821      8.44246179    -12.69711054
  H     16.37534670      5.08269125     -8.88345991
  O     16.51345042      4.16281748    -12.15994502
  H     13.58954043      7.98883750    -15.24307849
  H     15.55417274      5.91144209     -9.88881514
  O     18.52668071      7.55053841     -9.94529268
  H     13.51869824      9.45243484    -15.73468509
  H     14.83408991      4.52882844    -12.73531606
  O     16.25442247      8.03103612    -13.13001341
  H     14.42118031      8.06120181    -10.72277100
  H     14.22025882      5.52027339    -13.75484846
  O     15.05093527     11.72520382    -13.80766381
  H     14.13759788      9.37616973    -11.50960127
  H     11.10353118      5.97990388    -11.16764170
  O     11.23585838      5.34569637    -12.77662802
  H      9.97474198      7.67419328    -15.11140021
  H     10.47731359      6.05022277     -9.75216439
  O     14.79594884     10.69701185    -16.28963785
  H     11.44223253      8.04302770    -14.80939161
  H     19.31093645      7.06122585    -13.05037151
  O     16.45908668      5.66198553     -9.63834621
  H     17.37846144      6.61466817    -13.44634978
  H     19.33025739      7.75311217    -11.68063176
  O     14.01256837      4.97870076    -12.98154888
  H     17.82019079      5.93918067    -14.75588334
  H     12.19407059      9.79956043    -12.32629420
  O     11.15071869      6.43556728    -10.30612324
  H     17.19105899      7.33883415    -16.52879443
  H     13.06855909      9.62051589    -13.58580040
  O     19.66120576      7.83173176    -12.58342730
  H     17.44559786      6.05530404    -17.35692374
  H     17.71745171      9.28721339    -10.08333031
  O     13.03364763     10.06571981    -12.72913085
  H     16.63651051      4.57168303    -11.29705598
  H     16.27034034      9.74086972    -10.33281528
  O     17.17305305     10.07157429    -10.21115766
  H     17.11195428      4.63117126    -12.75897393
  H     18.11932101     10.56100003    -13.41235330
  O     18.28095451      9.78152625    -13.95688965
  H     19.14009977      7.36811791     -9.23585027
  H     18.89506851      9.19996414    -13.48260604
          69
 Energy    -249.51790320284616     
  O     -1.11721861     12.73234549      8.01780241
  H     -2.03809027     12.99891820      8.12411283
  H     -0.65113788     12.87080213      6.32488102
  O     -5.04289783      8.48677882      6.18980326
  H     -1.04406098     11.81141381      8.29746266
  H     -4.33517238     14.36414687      6.42712015
  O     -2.15209232     14.79155414      4.14992943
  H     -4.53666051      8.82738034      6.94080073
  H     -4.95381275     13.68037120      5.18128643
  O     -3.48964245     10.02877992      7.95461254
  H     -5.81455314      9.06123915      6.13075608
  H      0.18241387     10.72324734      3.41839746
  O     -7.03120607     10.60339038      6.13770557
  H     -2.98370522     14.70506373      4.63679909
  H      1.67578919     10.70543961      3.82416044
  O     -0.47178912      8.96797157      5.97829416
  H     -1.50576951     14.22129358      4.59084584
  H     -4.90293058     11.06938979      8.41041646
  O     -3.55611091      9.43752222      1.85984186
  H     -2.61991331      9.86144126      8.33392769
  H     -6.22491119     11.41323242      7.71102475
  O     -4.69473096     11.98181037      1.80967306
  H     -3.32368851     10.53030707      7.14112945
  H     -2.47842811     13.85848485      1.14207072
  O     -0.77166350      9.90754813      8.50946224
  H     -6.52274385     11.13757553      5.50372444
  H     -2.16982512     13.72570548      2.65522701
  O     -2.87117851      8.66594286      4.50578597
  H     -7.94433477     10.64938727      5.86625944
  H     -2.48908089     16.21400332      3.12124206
  O     -0.98457785     10.76956806      2.14835770
  H     -1.24595906      8.67944613      5.47759947
  H     -2.35067320     17.69167047      2.68964254
  O     -0.63376606     12.88641824      5.35454769
  H      0.04113477      9.52241862      5.37717212
  H     -4.25584560     14.96182419      0.36947564
  O     -4.57903365     14.51219972      5.50511499
  H     -4.05231134     10.26970506      1.80678876
  H     -3.15929509     15.90060056      0.90772778
  O      0.79224817     10.76005235      4.17818050
  H     -3.81853758      8.91729343      1.10365854
  H     -4.52342940     13.10600530      8.25660343
  O     -5.59994350     11.74163973      8.36664661
  H     -5.26368926     12.67577830      1.45323009
  H     -3.96182685     14.39424068      8.89764729
  O     -2.22588847     13.22623060      1.83014779
  H     -3.80734992     12.37146651      1.85055003
  H     -6.81584346     14.62703551      0.65033197
  O     -2.85532432     16.89761312      2.53402345
  H     -0.16735125      9.45622595      9.09197929
  H     -5.87726119     14.89458909      1.84958646
  O     -3.32701475     15.20038550      0.26312631
  H     -0.62557569      9.54429026      7.61681387
  H     -4.65408751     16.40784766      2.97701027
  O     -3.85707506     13.80827160      8.15131834
  H     -3.13895015      8.80251771      3.58988243
  H     -5.28009857     15.53402230      4.07830727
  O     -6.00123187     14.34281872      1.05625767
  H     -3.67245373      8.47920294      5.02079334
  H     -2.79134188     10.39897411      5.08488978
  O     -5.45125841     15.91398770      3.20702606
  H     -1.30733839     11.66418522      1.96634978
  H     -2.16407551     11.79892641      5.41112381
  O     -2.96166382     11.26376326      5.48468019
  H     -1.73923884     10.19033168      2.00475011
  H     -5.24735444     12.00891326      3.56007351
  O     -5.35952733     12.03595365      4.51751117
  H     -0.01896993     12.21648086      5.03458941
  H     -4.51480002     11.74410133      4.90014901
          69
 Energy    -249.51767898828726     
  O     14.24167498     12.06396691    -13.52135750
  H     14.97475819     12.28762642    -12.93449334
  H     19.98574398      4.66389157    -12.73863788
  O     14.92434688      6.00715936    -13.52054486
  H     14.62670399     11.99535290    -14.40292795
  H     17.59061496     12.06206458    -13.48877854
  O     17.10532462      7.55033434    -10.06128859
  H     14.12204326      6.19845680    -13.01625557
  H     17.24184192     11.80033810    -14.95952313
  O     18.56585160      9.09080860    -13.90068592
  H     14.67840983      5.75552540    -14.42143661
  H     15.52680816      8.85075458    -14.72813836
  O     12.60930626      7.94642351    -16.47193992
  H     16.96545559      6.74431002    -10.58262764
  H     15.55935467      7.65460567    -13.74022982
  O     13.51535873      9.15467055    -10.54956974
  H     16.42108811      7.55220361     -9.38213682
  H     11.43047871     11.33553346    -12.37396620
  O     12.84481146      6.69207410    -11.80721016
  H     18.55461640     10.04009250    -14.07972124
  H     12.89227137     11.20052255    -12.85875866
  O     16.07094535      9.71725442    -11.40843786
  H     17.63375758      8.83026233    -13.86864313
  H     14.42302886      5.85262083     -9.38698044
  O     16.70818505      6.91970021    -17.19739503
  H     11.82718208      7.95035183    -17.01690035
  H     15.11987487      4.98449215    -10.45099154
  O     18.57114538      6.66105460    -15.26323621
  H     12.30995345      8.05954299    -15.55134059
  H     11.91322554      9.13175524    -13.47290626
  O     14.34107548      5.67328794    -16.17132342
  H     14.41098841      9.39828779    -10.82965427
  H     12.04335767      7.61332168    -13.23929051
  O     19.21212498      5.21066491    -12.84755370
  H     12.92431577      9.71633537    -11.06540824
  H     18.80654629      7.73053703    -10.99152689
  O     17.96706431     11.76060202    -14.32475105
  H     13.17628822      6.01476889    -11.19918560
  H     19.24499645      8.26025303    -12.38238714
  O     15.82719268      8.57708521    -13.85541197
  H     13.05847899      7.53820827    -11.39168734
  H     17.54555949      5.06985192    -11.97259901
  O     12.15006400     10.71490382    -12.45611230
  H     16.53615470      9.02097149    -10.92577292
  H     16.08850041      5.45648262    -12.31135049
  O     14.27006081      5.13951695    -10.01840894
  H     15.93419958      9.39195702    -12.31248685
  H     14.38679089      7.81314166     -7.65702974
  O     11.84785034      8.27618239    -13.91374955
  H     17.37442345      6.78878573    -16.49871945
  H     14.17066475      8.17389726     -9.14220826
  O     19.48354067      7.64592743    -11.67303062
  H     17.12992337      6.68410282    -18.01959856
  H     15.54893682     12.30424653    -16.79871331
  O     16.68657860      5.25401942    -11.57490602
  H     18.74144151      7.53901863    -14.89374830
  H     15.45075870     10.85345703    -16.27618369
  O     14.68109363      7.60750561     -8.54118561
  H     18.74701445      6.04063527    -14.54773061
  H     16.84598187     12.82428103    -11.11864631
  O     15.61084309     11.77354482    -16.00813438
  H     15.15438779      5.98495531    -16.58878341
  H     16.43936957     11.41976905    -11.62630650
  O     16.54973527     12.34999828    -11.89084120
  H     13.67748456      6.35250010    -16.34406701
  H     14.22346040      8.78957300    -16.57241284
  O     15.12542602      9.13666660    -16.53397737
  H     19.40607232      6.06018152    -12.41055516
  H     15.71748371      8.43362016    -16.83441020
          69
 Energy    -249.51747283442245     
  O     15.70443243     10.77352613    -11.48994528
  H     15.60070518     10.99744602    -12.42467007
  H     12.85156987     10.05417630    -10.32889602
  O     13.23456532      9.38968509    -16.79343412
  H     16.60909682     10.96868605    -11.21543584
  H     17.21352607      5.53893795    -14.34604142
  O     17.24628310      9.16721190    -14.80697730
  H     13.69093908     10.23402490    -16.89576737
  H     18.25701339      4.41989067    -14.22604818
  O     12.35994173      6.69840181    -11.31150832
  H     12.96344601      9.34703097    -15.86717034
  H     15.68403073     11.04187907    -17.19875411
  O     17.54926052      8.97317677     -8.68527326
  H     16.52855395      9.75884336    -14.54737002
  H     15.07142493     12.44083583    -17.45282432
  O     16.78998111      9.71774093    -17.51162828
  H     17.96021643      9.28574321    -14.16456584
  H     13.33403425      8.41263049    -13.87792350
  O     15.79623616      7.96777787    -11.56558912
  H     12.87329658      6.55419991    -12.11781139
  H     12.38055756      9.42831245    -13.20852642
  O     15.14894997     10.94371356    -14.18503357
  H     12.98596244      6.61555801    -10.57990004
  H     14.57912281      7.08075012    -18.51213221
  O     18.36604569      6.92309568    -11.77805381
  H     16.64369654      8.96816734     -8.35211752
  H     14.28132939      8.12459733    -17.41176396
  O     19.07656137      9.40432092    -12.78723127
  H     17.82309544      8.05236953     -8.76453192
  H     11.77165691      8.34448239    -11.40238832
  O     16.20697617      4.63460178     -9.13329285
  H     17.14581055      9.53792214    -16.62911457
  H     10.61584529      9.37171316    -11.36030217
  O     13.57238396     10.36775328     -9.77141463
  H     16.28034195      8.93358580    -17.74794938
  H     14.50576214      9.28788899     -6.95524253
  O     17.75706263      5.04754438    -13.70948599
  H     16.71255144      7.67547747    -11.65622527
  H     14.32936102      9.52569957     -8.47468478
  O     14.99380440     11.66432248    -16.90593508
  H     15.78556646      8.93182124    -11.52730431
  H     14.50607580      7.41500239     -8.75865144
  O     12.93054175      9.28715757    -13.98734151
  H     15.10539336     11.35992083    -15.05410294
  H     14.97154798      7.17260647    -10.20713303
  O     14.95104388      7.49783046    -17.73974317
  H     14.34973053     10.40266872    -14.09620312
  H     17.65320515      5.61664972     -9.03480183
  O     11.55448014      9.28836479    -11.50776678
  H     18.48919814      6.58134930    -10.88502555
  H     19.07638237      5.85668631     -8.47944082
  O     14.80400865      8.99174685     -7.81063698
  H     18.21487358      6.18478316    -12.38585616
  H     14.74572005      7.25705661    -12.78600669
  O     14.50407399      6.75720326     -9.46437624
  H     18.91259126      9.98650067    -12.03701016
  H     14.77407961      6.65619251    -14.20108631
  O     18.40830839      6.22968784     -9.04897074
  H     18.97922676      8.50539215    -12.44009490
  H     18.80216942     11.55890076     -9.99896015
  O     14.17779657      6.87934946    -13.47722998
  H     15.93303975      3.91745999     -9.70008948
  H     18.07273635     10.20916714     -9.80023140
  O     18.29631840     10.89326743    -10.45713068
  H     15.51746458      5.31492155     -9.20950530
  H     16.62680333      7.51566625    -15.13143367
  O     16.22568358      6.66593540    -15.37483783
  H     14.28579151     10.62869743    -10.37187340
  H     15.80973443      6.80115299    -16.23465882
          69
 Energy    -249.51692330919082     
  O      1.05139166      1.83402873     -5.99622283
  H      0.72271513      0.99211479     -6.30001068
  H      3.76215998      6.51398552     -1.97903284
  O      1.10131098      8.35672793     -6.69189588
  H      1.79270137      2.07310327     -6.58129508
  H      6.52937209      6.42639834     -6.43118082
  O      4.70681276      9.32911262     -2.82523972
  H      1.20957886      8.08031718     -5.77157394
  H      6.05194160      7.74296266     -5.71643506
  O      3.58385579      5.91664868     -5.71381303
  H      0.59896720      7.65354093     -7.12028206
  H      5.64284627      5.74360144     -2.26410015
  O      3.08065069      2.61186387     -7.61505288
  H      4.72529765     10.07405628     -2.22821588
  H      4.89059665      4.56890941     -2.93927844
  O     -0.47554122      4.25221399     -5.87166317
  H      4.11955573      8.67091195     -2.42078922
  H      7.38805751      5.66428589     -8.66787082
  O     -0.18194982      6.08126508     -7.83590382
  H      4.45761517      6.32621009     -5.64986737
  H      5.90424256      6.02983149     -8.43756577
  O      0.39896693      4.91016008     -3.27655840
  H      2.95102499      6.43875921     -5.20541398
  H      4.25404574      7.80192605     -8.54849376
  O      2.82274162      3.66369352     -0.94247211
  H      4.02156838      2.65439716     -7.41648643
  H      3.79581084      6.36570830     -8.85491041
  O      5.88146365      3.03582237     -6.94973173
  H      2.84209255      3.49317857     -7.93769083
  H      4.11149182      4.43960442     -4.92392315
  O      6.63744485      7.11081169     -2.85264283
  H     -0.01929821      3.40722882     -5.96762246
  H      5.11424569      3.31307914     -5.19718755
  O      3.14180684      7.24910584     -1.85861024
  H     -0.35707308      4.51422959     -4.94995426
  H      1.69230639      4.94608274     -0.63341282
  O      6.23243548      6.79534999     -5.59396914
  H     -0.95097479      6.06168714     -8.39889875
  H      0.63776427      5.70305711      0.21201136
  O      4.92224997      5.10823755     -2.13789037
  H     -0.33878678      5.43360356     -7.12501628
  H      3.00735797      2.97363105     -3.86498278
  O      6.64502073      5.49684800     -8.09384325
  H      1.01223796      4.16368358     -3.35283050
  H      1.70100754      2.28215429     -4.29462995
  O      4.55050531      6.96712463     -8.92959887
  H      0.43858407      5.20024407     -2.35787421
  H      2.17282893      7.38931511     -3.42097301
  O      4.53732993      3.66885028     -4.51433015
  H      2.55434976      3.14321270     -1.71035192
  H      1.12023518      6.42829406     -3.99587924
  O      1.09375740      5.71645979     -0.62484835
  H      3.65195435      4.09432049     -1.19461969
  H      2.85280933      5.50778347     -7.29648707
  O      2.12713919      2.72166884     -3.54858955
  H      6.57528365      2.41300364     -7.15540451
  H      1.56794813      5.54204122     -8.17066093
  O      1.64803437      7.21017713     -4.21085145
  H      6.14158943      3.87863981     -7.35260240
  H      3.22438208     10.08893213     -8.20911360
  O      2.49253918      5.26825067     -8.16627109
  H      6.63443488      6.92117071     -3.80271605
  H      2.57866852      8.97808385     -7.35226006
  O      3.42653049      9.31015076     -7.69640837
  H      6.18395435      7.95609317     -2.76714793
  H      5.02469938      9.45500808     -4.75256501
  O      5.38067885      9.35248048     -5.64343639
  H      2.41284461      6.89925073     -1.33237854
  H      4.64932589      9.42532778     -6.27001046
          69
 Energy    -249.51628339676796     
  O     12.23022350      2.30106901    -12.18485874
  H     12.14009528      3.16276811    -12.61049756
  H      8.70635109      6.68437328    -10.08541680
  O     12.84672434      2.71335772     -9.53803235
  H     11.34264213      1.92158629    -12.16752627
  H     11.92197304      5.57722810     -9.72504041
  O      8.23994076      6.77431435    -13.08545491
  H     12.76829908      2.47960111    -10.47369528
  H     11.67816616      5.16289859     -8.23141453
  O     15.04987432      6.81760672     -9.14652669
  H     12.26177677      3.47383792     -9.40815701
  H     11.86769709      6.05744227     -6.29946927
  O     11.29418589      7.81841710     -6.28209233
  H      9.01691245      7.04795675    -13.58678882
  H     11.58416038      4.50717369     -6.27734044
  O      9.50219558      1.40450159    -11.95956484
  H      8.35157136      5.82512752    -12.93821213
  H     10.08797415      0.96735479     -8.75774351
  O     11.68288606      1.02065942     -7.74747202
  H     14.91321661      5.95607640     -8.71192073
  H      8.75720998      1.73850458     -8.75042298
  O     11.69782386      5.00817002    -12.98006921
  H     15.98981580      6.91564228     -9.27209903
  H     13.98286738      8.13351849     -8.31769365
  O     11.17975478      8.52271255    -11.49377113
  H     11.07109601      8.26779578     -5.47034529
  H     12.79967201      8.41139849     -7.35047180
  O      7.99670896      3.16170279     -7.74051944
  H     10.68113508      8.15432223     -6.95945997
  H     13.81198654      4.66674009     -7.32065760
  O      9.08552970      4.14845026    -12.36257102
  H      9.41337264      1.28663953    -10.99701784
  H     14.12042418      3.76475817     -8.53638210
  O      8.76002536      7.56097375    -10.48909708
  H      9.14089581      0.62097261    -12.36542448
  H      9.69034535      4.91830664     -9.44803615
  O     11.37113249      5.04146542     -9.13945308
  H     12.17427024      1.56852703     -8.38396067
  H      8.74182171      4.58685915    -10.62551947
  O     12.23458019      5.18970362     -6.50850192
  H     12.27440281      0.32820880     -7.46504992
  H     13.72248441      6.63939251    -10.42786646
  O      9.28692993      1.12438830     -9.27264914
  H     12.22500079      5.39677690    -12.26698007
  H     12.43040763      7.24905014    -11.08476790
  O     13.37682618      8.81721413     -8.00831371
  H     11.45816229      5.74944094    -13.54880637
  H     10.88214230      2.36177299     -6.64316102
  O     14.49438108      4.45475859     -7.97449788
  H     10.35767004      8.17126795    -11.11924426
  H      9.57798360      3.17557913     -6.65175123
  O      8.75346967      4.87964503     -9.70407980
  H     11.43885093      9.27447523    -10.94632035
  H     12.47831919      9.88738248     -9.02461760
  O     12.93038203      6.43385513    -10.93843537
  H      7.09388379      3.28905100     -7.46129596
  H     12.12507527     11.32620865     -9.47896901
  O     10.45385090      3.13278104     -6.25003042
  H      8.17368126      3.82417145     -8.43090147
  H     11.02517582      7.97076062    -13.21522314
  O     11.87102953     10.41306050     -9.57743498
  H      9.11360691      3.18463021    -12.31256186
  H     11.13030119      8.12113604    -14.74967093
  O     10.86555568      7.51753836    -14.06003033
  H      9.99221418      4.43533957    -12.54420046
  H      9.28211850      8.51205051     -8.95337442
  O      9.77315960      8.94101869     -8.24099404
  H      8.42780869      7.44163746    -11.39099931
  H     10.36672158      9.56768218     -8.67165582
          69
 Energy    -249.51523967653685     
  O     -2.41907839      7.17644617    -11.84312935
  H     -2.78145585      7.33783841    -12.72201579
  H     -7.25607432      4.95770967     -9.77763132
  O     -7.67464198      8.07286649     -8.77455584
  H     -2.08521667      8.02733910    -11.53759448
  H     -5.13164692      4.92494690     -6.98378841
  O     -4.86933838      9.59224113    -10.97836989
  H     -7.96189466      7.45982858     -8.08806581
  H     -6.30127652      5.80712764     -6.50922865
  O     -7.68321762     10.18924789    -13.22423274
  H     -7.26272786      7.52688140     -9.46204918
  H     -6.61498026     11.48583694     -8.89174546
  O     -2.12560904      9.90542934    -10.85909008
  H     -5.01195725     10.37445017    -11.52924312
  H     -6.58322285     12.70562938     -9.83503529
  O     -3.61981771      8.02457655    -14.32467600
  H     -5.21521741      8.85083656    -11.48797716
  H     -4.09800100      2.99806391     -8.47196848
  O     -3.10899765     12.47326358     -9.84792688
  H     -8.02601365     10.13163658    -12.31238332
  H     -4.32862889      4.42431916     -9.01872418
  O     -8.16214174      5.91750021     -7.01984348
  H     -8.43632983     10.32018634    -13.79372641
  H     -4.38286373     10.89124506     -7.54344101
  O     -5.61128523      9.83350975     -8.37276797
  H     -1.83797144      9.71982833     -9.95185180
  H     -3.86098106     11.78440686     -6.39639245
  O     -8.51403159     10.07553762    -10.67261393
  H     -3.07816987      9.71918421    -10.88563619
  H     -2.38042287     10.43206249    -12.73333999
  O     -1.77855737      9.43316047     -8.18093645
  H     -3.29628814      7.78938924    -15.19017348
  H     -3.63764772     11.01996351    -13.41856743
  O     -7.43695259      4.30517048     -9.08660871
  H     -3.31237512      8.93098228    -14.14436230
  H     -5.27750869      7.90449614    -13.51503133
  O     -5.34539365      5.69512014     -6.44215138
  H     -2.63425123     11.73788155    -10.24909366
  H     -6.62063316      8.63564784    -13.17272801
  O     -7.17723621     12.11844823     -9.35176902
  H     -3.22484908     12.23858703     -8.91787258
  H     -4.47590945     13.29448609    -10.52120308
  O     -4.71087776      3.72860391     -8.45701286
  H     -7.99733181      5.28043408     -7.73880173
  H     -5.21131782     14.59945888    -10.91710928
  O     -3.64417479     11.45679164     -7.26593214
  H     -8.90707956      5.58774466     -6.52464828
  H     -5.41542220     12.42304220    -12.26237834
  O     -2.83065497     10.51214549    -13.58314126
  H     -5.30448851      9.79827723     -9.29418288
  H     -6.17357523     11.28621685    -13.03689464
  O     -6.04668381      7.89776939    -12.93032968
  H     -6.40141394      9.27462732     -8.34019094
  H     -3.30687252      6.27224962    -10.58579011
  O     -5.30613694     13.65127052    -10.88671031
  H     -8.17390676     10.86918651    -10.23334294
  H     -3.79225818      6.54786576     -9.12700796
  O     -5.30170094     11.63991329    -12.81674877
  H     -8.40852381      9.35842983    -10.03793370
  H     -4.34547396      6.99726911     -7.12577024
  O     -3.86332138      5.93248411     -9.87107971
  H     -2.19431681     10.18106789     -7.73717115
  H     -4.49435836      8.35773921     -7.85950093
  O     -3.87986930      7.63569261     -7.68769453
  H     -2.32904297      8.67361787     -7.94522019
  H     -6.45431759      6.81341909    -11.55068989
  O     -6.48703941      6.42655222    -10.66619090
  H     -6.57791532      3.91701968     -8.87741530
  H     -5.57272056      6.23927225    -10.40974561
          69
 Ord_Energy   -249.515121    
 O    3.73574972       4.74314404       5.69131327    
 H    4.24740553       5.45022631       5.27921772    
 H    3.95887923       3.94171762       5.20254755    
 O   0.203097463       1.76600969      0.424864084    
 H  -0.527938426       1.35550773      0.903530002    
 H   0.908067465       1.91779900       1.06607020    
 O    4.50633144       2.58860660       3.91002631    
 H    5.20816708       1.96220875       4.06630611    
 H    4.86661100       3.27169204       3.31569529    
 O  -0.986913919       3.49643993      -1.28473485    
 H  -0.940430164       3.16056156      -2.17563176    
 H  -0.495430380       2.86902428     -0.721817732    
 O   0.226188883       5.65739155       7.79324099E-02
 H  -0.132165626       5.05837154     -0.586138129    
 H  -0.230544016       5.41557980      0.899037600    
 O   0.341705143       8.03789520       1.68289864    
 H  -0.508895218       7.98328686       2.13880873    
 H   0.296008945       7.41159201      0.949697852    
 O   -1.28643823       4.93107557       2.29416704    
 H   -1.62172854       5.77964401       2.61006832    
 H   -1.99109662       4.45989323       1.83177447    
 O    5.25541592       4.65060043       2.29737639    
 H    4.47278929       4.77688265       1.74366868    
 H    5.30271196       5.43540478       2.85848379    
 O   -2.20103502      0.845637679       1.66044641    
 H   -2.55018425      -3.75090018E-02   1.57969332    
 H   -2.16551495       1.04970419       2.61274242    
 O   -3.61084628       5.71297407       5.79425859    
 H   -2.73370123       6.09096813       5.92568350    
 H   -4.03669548       6.25210571       5.11551285    
 O    2.24925303       6.97509670       3.33409333    
 H    1.60590136       7.45538759       2.79231143    
 H    1.77305555       6.48983049       4.02022314    
 O   -2.09608865       1.59083188       4.23148108    
 H   -2.83457923       2.12142372       4.55467653    
 H   -1.30487132       2.14290071       4.30436325    
 O   -4.27916765       3.20152378       5.01775837    
 H   -3.99449754       4.06330490       5.36975527    
 H   -4.94821453       2.87299371       5.61350918    
 O   -4.69687033       7.01739836       3.47820497    
 H   -4.79913568       6.13995790       3.06594563    
 H   -5.50461054       7.49583626       3.31438351    
 O    2.64144492       5.06401873       1.30951345    
 H    1.91191804       5.24750090      0.703943253    
 H    2.54745317       5.70169401       2.03099489    
 O   -1.06329596       7.02335262       5.87932968    
 H  -0.853862762       7.66424608       6.55449057    
 H  -0.279573530       6.45600462       5.78332901    
 O   -3.01496673       3.36741447      0.721084476    
 H   -2.82525110       2.46994042       1.02966380    
 H   -2.47551966       3.49684477      -6.88687563E-02
 O    2.14760804       2.54018664       2.35031009    
 H    2.30454564       3.40614533       1.94323516    
 H    2.92158175       2.36216164       2.89751983    
 O    4.87359190       6.84425783       4.07957649    
 H    3.95863390       7.01364851       3.79379344    
 H    5.27589464       7.69540739       4.23025656    
 O    1.09794521       5.43974686       5.40604067    
 H   0.713783383       4.65154648       4.99459839    
 H    2.00251818       5.20602512       5.66025829    
 O   -1.95647848       7.47122574       3.23493719    
 H   -1.64418447       7.41179037       4.14799356    
 H   -2.92197895       7.45495749       3.26108646    
 O    6.98780119E-02   3.31932735       4.01043224    
 H  -0.433257252       3.88349962       3.40141582    
 H   0.805816352       2.95474005       3.50091553    
 O   -4.85375071       4.49359798       2.52839708    
 H   -4.70030832       3.93925047       3.30435777    
 H   -4.35448217       4.09772110       1.80331302    
          69
 Energy    -249.51475838626200     
  O     17.24248616      8.89156719    -15.43173010
  H     16.70495739      9.65277897    -15.71729313
  H     15.64921766     11.73250730    -15.60015677
  O     16.36242608     15.58734939    -14.90179280
  H     16.95994652      8.14658316    -15.95556038
  H     19.40412108     11.32071939     -9.62783181
  O     19.50733120     10.41670140    -16.57847061
  H     15.80423917     16.26688413    -15.27035108
  H     19.57893091      9.89160504    -10.16642176
  O     20.23769244     12.92511292    -10.06160989
  H     16.97661690     15.31027366    -15.60804848
  H     21.63091321     16.55709032    -12.59761101
  O     15.54433950     12.64893586    -11.48254066
  H     20.02963525     10.87960147    -15.90863393
  H     20.12484043     16.58377195    -12.27940453
  O     20.51552081      9.01704884    -11.64086514
  H     18.89361804      9.83926499    -16.11174028
  H     21.19699656     12.04169566    -11.35714026
  O     16.48223947     10.03375388    -10.64849444
  H     19.46630285     13.29987921    -10.51475011
  H     21.46215791     10.62756031    -11.91043582
  O     17.95542030     12.20685833    -17.91827595
  H     20.81704436     13.66491515     -9.84497944
  H     17.66811108      9.01193451    -13.68591476
  O     20.50592497     14.73032276    -15.09676536
  H     16.33076639     13.18490606    -11.31144968
  H     17.34675497      9.37745650    -12.17533755
  O     21.93704222     15.15308132     -9.86833611
  H     15.77187339     11.75979643    -11.18636186
  H     18.11962872     13.89418963    -17.13739976
  O     20.63755523     12.01876137    -14.55672846
  H     19.67579236      9.04274114    -12.13057479
  H     19.05945796     14.77885912    -16.27605512
  O     15.90878052     11.08090273    -16.26609472
  H     20.82349983      8.11472859    -11.66959583
  H     23.63361862     16.14826008    -14.23388200
  O     18.98065450     10.45221516     -9.65889591
  H     17.33699081     10.22453689    -10.22019207
  H     23.05752174     15.06602950    -13.28938064
  O     20.99731816     16.71018686    -11.88521207
  H     15.95012488      9.57459910    -10.00340837
  H     19.30765799     15.47434671    -13.90569011
  O     21.71391600     11.55275331    -12.01472495
  H     18.05022285     12.08668722    -18.85984506
  H     17.84081222     15.93651930    -13.75324964
  O     18.04851737      9.23993552    -12.82620402
  H     18.56770435     11.58050164    -17.49377794
  H     22.93067196     12.99705228    -12.08512677
  O     18.18444380     14.74398931    -16.68516664
  H     20.61926253     13.77815690    -14.96435484
  H     22.98770117     14.27036321    -11.22013305
  O     22.81727482     15.78310866    -13.90378642
  H     21.33043869     15.14633951    -14.81729398
  H     18.07452464     11.02846129    -13.28314058
  O     18.68677233     15.89506509    -13.29201236
  H     21.55257907     15.75508460    -10.53100170
  H     17.27307217     12.22755554    -13.89956411
  O     23.32296711     13.87807537    -12.03638844
  H     22.24769127     15.69722287     -9.14990130
  H     15.42031481     12.85982319    -13.27558344
  O     18.13464148     11.95008497    -13.56180766
  H     19.71109172     12.04795821    -14.26402451
  H     15.78077326     13.87298022    -14.41155743
  O     15.61450907     12.94120842    -14.22172247
  H     21.15069659     11.84916768    -13.75709893
  H     18.16228265     13.11676020    -12.19666643
  O     18.12342342     13.82324420    -11.53359954
  H     16.48954488     11.53905128    -16.88618829
  H     18.29384632     14.63961890    -12.02059371
          69
 Energy    -249.51425404822282     
  O     16.18131256      8.10094397    -15.11747786
  H     15.66662805      7.56962761    -14.49167769
  H     19.36900528     11.25542305    -14.51023810
  O     18.51668991      9.59010626    -11.44813941
  H     17.09398822      8.13496027    -14.80145322
  H     15.06259748     13.36557691    -13.17915013
  O     16.71718701     12.76791799    -13.91068435
  H     17.61403988      9.84781519    -11.20037649
  H     13.61399164     13.22798458    -13.66160682
  O     12.61619052      7.77282461    -15.10387467
  H     18.72745496      8.80188083    -10.93353654
  H     15.79815060     11.18071593    -13.85993699
  O     16.22384282      6.20503407    -10.09312858
  H     17.53283443     12.58212771    -13.42882923
  H     15.71671970      9.66068416    -14.25260506
  O     14.58309526      6.71206554    -13.33781235
  H     16.93980768     12.77735034    -14.85115535
  H     12.13741359      9.95972114    -11.99970375
  O     15.93215786     10.26456097    -11.01199952
  H     13.20687961      7.25935029    -14.53562572
  H     11.08598832      9.80181786    -10.87750893
  O     17.27135220     12.36626119    -16.62524535
  H     13.12759573      8.00294204    -15.88942137
  H     18.80974639      6.69070681    -13.32761369
  O     16.32201790      4.67810538    -12.52406527
  H     15.46949909      6.79541976    -10.21602341
  H     18.89614628      6.26396318    -11.85208732
  O     14.74205373     11.47273679    -16.91581333
  H     16.18359218      5.57167472    -10.82032573
  H     19.78583218     12.47403239    -12.20913305
  O     14.46447561      8.64109262    -17.14900319
  H     15.09414084      5.92428192    -13.11216929
  H     19.00766056     11.14095819    -12.20658789
  O     19.28197979     10.75730765    -15.33288432
  H     14.42895464      7.19234276    -12.51242241
  H     18.58621786      8.80183259    -13.14298777
  O     14.14500134     13.42743857    -12.88320084
  H     15.33961453     10.93494206    -10.64168698
  H     18.98205230      9.14488927    -14.59961725
  O     15.35806428     10.34156606    -13.67187597
  H     15.75154754     10.26083515    -11.96545101
  H     17.85702062      6.83110406    -10.03715669
  O     12.02493076      9.83716204    -11.04168473
  H     16.37066164     12.03016668    -16.78298663
  H     19.23683819      6.84935481     -9.33844515
  O     18.71864556      5.92913803    -12.73992829
  H     17.47000846     12.96052454    -17.34415308
  H     11.80023464     12.75184069    -15.44436906
  O     19.15977709     11.95734981    -12.71065086
  H     17.19931630      5.07529013    -12.67247813
  H     12.50444645     11.61099955    -14.67465938
  O     18.67614140      8.42480994    -14.02865270
  H     16.41302564      3.74146969    -12.67562832
  H     14.91098830      8.78041446    -10.85108634
  O     18.78072024      7.12751710    -10.12819456
  H     14.02898308     11.82944360    -16.37275993
  H     13.40063888      8.51357724    -10.82534383
  O     12.65819351     12.42248241    -15.18731154
  H     14.56010287     10.53294140    -17.03618092
  H     13.18526040     11.39508498    -10.56299729
  O     14.25363600      8.07007047    -10.89490822
  H     14.67342419      8.16512860    -17.94928094
  H     13.92976067     12.56291344    -11.26091349
  O     13.92111206     12.00899302    -10.46545560
  H     15.16079797      8.42304548    -16.50426223
  H     12.47447141      9.29687549    -14.20333142
  O     12.61662931     10.11613136    -13.70658345
  H     18.63249652     11.23536152    -15.86225820
  H     13.57697837     10.23592992    -13.63508913
          69
 Energy    -249.51417644656152     
  O     13.40304043     10.05930224    -16.18982812
  H     13.19089723      9.76964922    -15.28361060
  H     16.71402890      4.42631872    -16.11023138
  O     16.53025515      5.41649335    -13.22454348
  H     12.61612771     10.47731072    -16.53015727
  H     19.58626227      7.23813244    -12.45045348
  O     18.70032594     10.29595581    -12.45152623
  H     16.43125100      4.70196409    -13.86264294
  H     21.00728820      7.76749510    -12.75248132
  O     19.99924140      9.87833102    -16.83602870
  H     16.50859677      6.23007060    -13.75393349
  H     18.31788369      9.79682360    -17.68612355
  O     13.67510435      5.31271826    -15.35864091
  H     17.80671651     10.14888245    -12.80310771
  H     16.90449416     10.23217488    -17.24869919
  O     16.89212358      9.87862621    -10.15816635
  H     19.20086520      9.49001135    -12.62715816
  H     17.37914336      7.61047213    -15.24096198
  O     14.70671724      6.53233725    -11.45918998
  H     19.66244424     10.51355104    -16.17753290
  H     15.83692452      7.55568709    -15.54131790
  O     16.20747116      9.91819112    -13.49828169
  H     20.80370222     10.24683072    -17.18967956
  H     13.25101746      9.39955574    -12.89284866
  O     17.70207831      5.50265955    -17.09503652
  H     14.44671176      4.73824606    -15.41597219
  H     12.61554225      8.18405700    -13.58040039
  O     16.69224183      7.05136014     -9.57390435
  H     13.86381979      6.06385400    -15.93915062
  H     12.89722943      5.91297539    -13.93541272
  O     19.15795645      7.47262390    -15.65057681
  H     16.99406525      8.95310021     -9.90414598
  H     11.62051341      5.91302822    -13.06177061
  O     16.15859501      3.86518388    -15.54030874
  H     17.61614182     10.07954259    -10.76249161
  H     17.93160919     11.66455993    -15.30994758
  O     20.09508824      7.84124215    -13.02194371
  H     13.85317525      6.42401696    -11.89740567
  H     18.85718165     11.27763927    -14.12513936
  O     17.38350623      9.71165238    -17.90737092
  H     15.34363229      6.08489765    -12.03619765
  H     18.07316532      6.48289976    -10.75727560
  O     16.49886217      7.61248820    -14.84106241
  H     15.56475037      9.81085366    -12.78850092
  H     17.94619301      5.78659153    -12.12257087
  O     12.80725585      9.12147938    -13.70367614
  H     16.28515284      9.06173306    -13.94687046
  H     16.38405606      7.40857829    -19.78247035
  O     12.47772073      6.32004397    -13.15571336
  H     17.28272382      6.06968544    -17.75347661
  H     16.78372444      8.25001031    -18.54403892
  O     18.85306198     11.54870079    -15.05212293
  H     18.34356506      6.06101970    -16.63672856
  H     15.20505902      9.69846540    -10.86430917
  O     18.58485192      6.19785534    -11.52299504
  H     15.92802933      6.83615727    -10.13284740
  H     14.52700611      8.41673247    -11.40225094
  O     16.40359452      7.39794192    -18.82967184
  H     16.48266275      6.73965480     -8.69637462
  H     16.11713872     10.79840681    -15.00768293
  O     14.46888292      9.38173289    -11.40993858
  H     19.48574139      8.24870535    -16.12300275
  H     15.12372005     10.99342325    -16.14149732
  O     16.04134344     11.16688854    -15.90254343
  H     19.52172437      7.52661123    -14.75666013
  H     14.11610480      8.42099036    -16.72000176
  O     14.49947903      7.53836406    -16.80101842
  H     16.30524961      2.96560095    -15.81995635
  H     15.03928959      7.50388912    -17.60123378
          69
 Energy    -249.51368034177375     
  O     12.07648575      6.01252712    -15.45032982
  H     11.55440728      6.39228322    -16.15323972
  H     11.13694516      6.59553971     -9.31554874
  O     10.30463840      7.10294927    -10.89304268
  H     12.69838505      6.70283243    -15.16313892
  H     14.57283276      3.72575004    -13.91626947
  O     16.57998532      7.71927953    -10.96466957
  H     10.17115048      6.41768690    -11.55779835
  H     15.24097744      3.30093517    -12.56205253
  O     15.15393666      2.15686993    -11.22020875
  H     11.02552743      7.64102233    -11.24727838
  H     13.92106075      4.88337008    -12.08976227
  O     13.82810348      7.87390196     -7.88451000
  H     17.29314689      8.31789885    -11.21815117
  H     13.12475764      4.86427410    -10.74737554
  O     15.06458580     10.38827473    -14.69976567
  H     15.83089410      8.27978067    -10.71356587
  H     19.21685097      9.92110241    -12.05328218
  O     16.04023689      6.60506266    -13.45871939
  H     15.38786026      2.55305039    -10.37099488
  H     18.12156973      9.35872848    -12.99210344
  O     12.37852433      1.50838761    -10.86670249
  H     14.25494771      1.82181669    -11.11374818
  H     12.97477263      7.09577866    -11.70583104
  O     15.72458739     10.93686951    -12.12569672
  H     13.04252065      7.35007493     -8.12766368
  H     13.03799148      8.11012405    -12.86371874
  O     15.48929435      3.43316018     -8.68881973
  H     13.68947886      8.17240608     -6.98979939
  H     16.23570480      6.56012486     -9.55124023
  O     12.76565644      3.80413377     -9.27170263
  H     15.24317989     10.62735914    -13.77200326
  H     15.19584957      6.67050200     -8.41723418
  O     11.72716533      6.34805936     -8.59043862
  H     14.93076086     11.20623709    -15.17074684
  H     14.22558233      8.97525840     -9.34381436
  O     15.13801757      4.02755125    -13.19586264
  H     15.86594502      5.65597351    -13.40752276
  H     13.76747583      8.94902676    -10.82156815
  O     13.23434846      5.33317399    -11.58360343
  H     16.19817200      6.91963310    -12.55697753
  H     16.72626895      9.34743216    -14.75562717
  O     18.30241215      9.65436324    -12.08176986
  H     11.95752193      0.67369099    -10.67929703
  H     17.08077305      7.92321677    -14.29166144
  O     12.77702875      8.01692862    -11.94102069
  H     12.03349938      1.80753644    -11.72636525
  H     11.63645894      5.19444089    -12.43880813
  O     15.86002404      6.08428925     -8.79980643
  H     16.63924055     10.64884544    -12.01714710
  H     11.05976042      5.52234245    -13.82311864
  O     14.42411175      9.33157120    -10.21815818
  H     15.23151913     10.53971696    -11.39525656
  H     14.60420897      7.39030942    -14.17577006
  O     17.47004997      8.77840064    -14.52404695
  H     15.96996905      3.09492756     -7.93841560
  H     14.16815303      8.77865900    -14.70929065
  O     10.82238218      5.15211407    -12.96626044
  H     15.68059344      4.38801708     -8.73567001
  H     12.86175001      4.34617091    -15.37666923
  O     13.85282745      7.88110112    -14.54455523
  H     13.66404674      3.65366955     -8.94761807
  H     13.48332224      3.15643994    -16.14088568
  O     13.27740008      3.47672863    -15.26542943
  H     12.50824720      3.00180714     -9.74382788
  H     11.05079634      3.30542699    -13.10965501
  O     11.48499495      2.45149008    -13.24445771
  H     11.95853288      5.42045519     -8.72249348
  H     12.10320813      2.60426640    -13.96728610
          69
 Energy    -249.51309412178892     
  O     -3.85528385      5.13552095     -0.95400034
  H     -3.68602820      4.28166028     -1.39440800
  H     -2.04513442      5.47447232     -0.76995057
  O      0.28588101      2.29245947      5.84900596
  H     -4.55594038      5.56020648     -1.44069401
  H     -1.16915291     -0.34628476      3.37499556
  O     -0.68177550      2.73658436      0.11244017
  H     -0.01428048      2.70473374      6.65534947
  H     -1.95812099      0.62876791      2.44209375
  O      1.98503758      2.94609243     -2.17733980
  H     -0.04803617      2.83611052      5.11650739
  H     -2.44278882      2.43667161     -2.43521834
  O      1.05319909     -0.33072555      1.35972260
  H      0.24706622      2.56298823      0.30330684
  H     -3.59230757      2.07328672     -1.46713595
  O     -0.53701363      3.64832169      3.59035093
  H     -0.85394878      2.35733496     -0.76061189
  H     -1.10259289     -1.03594185     -0.82490244
  O      1.60281466      5.54717830     -0.94678607
  H      2.75266479      2.68061583     -2.67869871
  H      0.32559636     -0.65283552     -0.42749106
  O     -3.55223509      4.85603576      1.88798608
  H      2.09613235      2.57760920     -1.28360462
  H     -1.88958004      2.43011462      1.31713329
  O      2.80854809      1.77173696      4.60469566
  H      0.15326414     -0.25691654      1.70622243
  H     -3.02960550      3.15335133      2.09030529
  O     -0.17604707     -0.36087764      4.84265238
  H      1.60697402     -0.59094310      2.10680543
  H      0.21573999      2.15392629     -2.56458408
  O      2.12291564      6.26989138      1.61865257
  H     -1.20854899      3.10289358      3.16411930
  H     -0.50528375      0.83958283     -2.13643012
  O     -1.12684250      5.40364493     -0.48490018
  H     -0.63244188      4.53337262      3.20887647
  H     -2.94028592     -2.39495956      0.48739499
  O     -1.54225303     -0.24196979      2.48704754
  H      1.79332839      4.74905422     -1.45114668
  H     -2.23235072     -1.18541128      1.14114138
  O     -3.27749339      2.75856283     -2.07615419
  H      0.63791760      5.62873746     -0.93952264
  H     -3.58237199      0.05151605     -0.06420519
  O     -0.28426355     -0.66149414     -1.17445593
  H     -2.85524658      5.47501441      2.12189806
  H     -3.67484194      1.38011266      0.70297869
  O     -2.52456586      2.32761998      2.04765005
  H     -3.73664666      4.99598865      0.94862946
  H      1.21330868      3.59926169      2.95865600
  O     -0.65004322      1.74086943     -2.46812124
  H      2.05692854      1.95410283      5.18275708
  H      2.24682165      4.58233361      2.35368124
  O     -2.57801111     -1.53245555      0.30084052
  H      2.77997463      2.45953086      3.92671794
  H      1.76726793      1.18041581      0.73060821
  O     -3.95409950      0.94087550     -0.10717627
  H      0.71104121     -0.62689918      4.57027876
  H      2.19847571      2.61269394      1.18606727
  O      2.12706852      3.67063802      2.64892919
  H     -0.07302643      0.49291138      5.28011637
  H      3.16767698     -1.34331714      4.04753168
  O      2.02404615      2.05825956      0.41354713
  H      2.00377230      6.03483892      0.68026753
  H      2.67511196      0.12423340      4.04526284
  O      2.45815960     -0.77912579      3.75240682
  H      2.72496589      7.00874571      1.64177391
  H     -0.91709625      5.86816336      1.25373925
  O     -0.70541879      6.02681472      2.18616601
  H     -0.97677864      4.46514762     -0.29111767
  H      0.21980596      6.29908320      2.17296468
          69
 Energy    -249.51258507082633     
  O     -5.94761047      0.13228063     -0.68944786
  H     -5.50519496      0.98763520     -0.79675978
  H     -1.97139866     -1.85889908      4.60911014
  O     -4.42680264      0.57703480     -4.74921962
  H     -6.20359043      0.08769079      0.24016043
  H     -0.55997645      1.69188398      3.21768504
  O     -6.31284725      0.26055053      2.10757258
  H     -3.74330674     -0.09539789     -4.86220528
  H      0.87612507      1.90825396      3.74501260
  O     -0.18164622     -1.04795144      2.11380499
  H     -5.16187063      0.13613575     -4.30579334
  H     -3.76109273      2.08375469     -0.26778218
  O     -1.37039095     -0.86654570     -0.41065777
  H     -5.84755009      1.08160040      2.34522162
  H     -4.73383410      3.27666683     -0.29687550
  O     -2.36644029     -1.43547064     -4.63467446
  H     -7.11237280      0.24299635      2.62792701
  H     -1.93804173      5.01311945     -1.08241624
  O     -3.94240017     -1.86571219     -0.37579005
  H     -0.47239975     -1.05660027      1.19077997
  H     -1.37853254      4.57068842      0.27403085
  O     -1.21415304      0.42464389     -2.86473887
  H      0.18690202     -0.17351977      2.28247311
  H     -5.02935748     -2.17058501     -3.19618951
  O     -3.19196883      2.42845197     -3.17063344
  H     -1.22060052     -0.48705298     -1.28714901
  H     -4.03810305     -2.57249154     -2.09654228
  O     -0.17004408      3.23786672      0.66473430
  H     -2.23030198     -1.31212237     -0.43016712
  H     -2.43069568      0.52793927      3.64012460
  O      0.42799376      2.56290155     -1.91014911
  H     -2.97200652     -1.94386244     -4.06538313
  H     -2.46119108      1.42826518      2.37341397
  O     -2.22455794     -1.31033805      3.87148201
  H     -2.03509018     -2.04007886     -5.29298554
  H     -3.75688338     -1.76867350      2.87842996
  O      0.37770569      1.67977341      2.96387649
  H     -4.08648517     -2.08414502      0.55678294
  H     -5.10314280     -1.22416440      2.34048317
  O     -4.51608960      2.45646704     -0.75329942
  H     -4.57145482     -1.15945526     -0.57045788
  H     -2.00759186      0.66730995      0.26231336
  O     -2.09925172      5.07099273     -0.13329376
  H     -1.46825543     -0.23727436     -3.52024140
  H     -1.62819794      2.15779323      0.52940173
  O     -4.20043569     -2.64196529     -3.04724058
  H     -1.88546833      1.11933520     -2.91579522
  H     -3.66733518      4.86848683      0.58905325
  O     -2.38717769      1.44641104      3.34208986
  H     -3.71899557      2.47856500     -2.36119988
  H     -4.99430378      5.53197631      1.02163654
  O     -4.49572185     -1.97260518      2.29230960
  H     -3.67439724      1.87608287     -3.80286064
  H     -6.34503701     -0.48731753     -2.31940014
  O     -2.34711437      1.51300427      0.58359353
  H      0.21624514      2.95244314     -0.17892774
  H     -7.34847928     -0.95938891     -3.39458133
  O     -4.56255990      4.68704019      0.92918277
  H      0.23763268      2.74821047      1.38689367
  H     -4.09373596      2.27729978      3.16454619
  O     -6.41842638     -0.83167295     -3.22508261
  H     -0.07920286      3.28276736     -2.30737137
  H     -4.80923380      3.28280396      2.23142102
  O     -4.95584263      2.52062022      2.80394056
  H      0.05618347      1.75061033     -2.27539847
  H     -2.10660697      3.80503527     -3.07567937
  O     -1.46612440      4.51165134     -2.88229522
  H     -1.47641255     -1.31557478      3.24678852
  H     -1.41223314      5.05425064     -3.66487313
          69
 Energy    -249.51239450196670     
  O     12.82335974     10.49467769    -12.76183081
  H     13.38478182     10.55227074    -11.97963646
  H     16.46897815      7.11754938    -16.33115316
  O     15.10500790      7.41742081    -17.45636990
  H     13.34601308     10.78550362    -13.52687596
  H     14.36668214      6.76462846    -10.13132551
  O     13.70688494      5.38174633    -12.84193180
  H     14.50952622      8.17503806    -17.42796483
  H     14.60453458      5.81983977    -11.32762566
  O     17.54529483      5.01668460    -10.76284056
  H     14.56461672      6.63100010    -17.31335641
  H     13.28940513      8.68126314    -13.20931326
  O     13.88801563      4.88114843    -16.75998635
  H     12.79181523      5.08170410    -12.80241833
  H     14.55069046      8.26938922    -13.98807248
  O     10.31080566      9.68246443    -13.38445548
  H     13.67367844      6.30878397    -13.13037104
  H     15.15436649     10.45663829    -14.71562041
  O     13.25797949      9.60969720    -17.22853593
  H     18.12331442      5.78625691    -10.82151456
  H     14.06066265     10.64542514    -15.78305983
  O     19.06004735      7.39036963    -11.42813219
  H     16.66461992      5.36062239    -10.55659210
  H     10.30383370      4.30354824    -12.88977867
  O     11.57648309      8.30605236    -15.48470120
  H     14.51402105      4.69449461    -16.04127429
  H     11.01659418      5.13854031    -13.98189904
  O     17.79346079      3.66996359    -13.09934485
  H     14.01454343      4.19507260    -17.41227471
  H     10.92637600      6.67139288    -12.05968045
  O     19.07841242      6.14335763    -13.83706410
  H      9.63483722     10.32861800    -13.19847758
  H     10.64101328      8.18310595    -12.18009968
  O     16.98997093      6.84505627    -15.56103269
  H     11.16044656     10.07879840    -13.11812381
  H     14.94445204      4.79075003    -13.95072394
  O     15.04811602      6.24060499    -10.57891224
  H     12.56682654      9.18151189    -16.69688873
  H     16.34439218      4.14361413    -14.15003302
  O     13.67391460      7.96104496    -13.72482413
  H     12.82230035     10.00571669    -17.97968978
  H     11.28183252      6.47875776    -15.73288672
  O     14.39205998     11.00486066    -14.95227078
  H     19.11979228      7.00156210    -12.31964680
  H     12.16908423      5.25823987    -16.05499349
  O     10.94470910      4.99688780    -13.02092972
  H     19.94415673      7.64632168    -11.18028998
  H     12.32072366      7.80714851    -10.34875306
  O     11.01533251      7.51341782    -11.59796216
  H     10.97474321      8.78065817    -14.89779590
  H     13.42300864      8.81579225     -9.93434997
  O     15.61228571      4.56505210    -14.61674307
  H     12.35016517      8.08437201    -14.94126074
  H     16.59889041      8.32874762    -14.61023296
  O     11.32938354      5.51662700    -15.65552884
  H     18.19406873      2.81874568    -12.94480069
  H     16.38569216      8.88916362    -13.16685316
  O     13.07745155      7.93544329     -9.75696937
  H     17.67501595      4.08668318    -12.22628129
  H     14.92101703     10.94391936     -9.95270754
  O     16.20439804      9.05082879    -14.10205881
  H     18.50862419      6.47657101    -14.54328492
  H     15.31105530      9.74064680    -10.83707857
  O     14.57163062     10.31582816    -10.58042418
  H     18.77924743      5.24175808    -13.66740293
  H     17.42591809      8.23081124    -11.32425529
  O     16.49562939      8.48537048    -11.37155206
  H     16.53838746      6.06947065    -15.20127947
  H     15.98214963      7.69867415    -11.13423946
          69
 Energy    -249.51154202922547     
  O     -6.00141487      0.77016269     -0.05686418
  H     -5.34828652      1.48111668     -0.13403128
  H     -1.13710411     -2.65799986      3.49674069
  O     -5.32483150      2.24448821     -4.40328996
  H     -6.06492971      0.57126627      0.88548536
  H     -0.10052866      1.99116696      2.68161386
  O     -5.73481750      0.22474803      2.70515489
  H     -5.91453507      1.75809123     -3.79902171
  H      1.15434822      2.80501882      3.07137565
  O     -0.14116271     -1.85338220      0.61048330
  H     -5.88461784      2.68631435     -5.03621842
  H     -0.92307698      4.36003353     -0.05466338
  O     -2.13193821     -1.35631232     -1.30365019
  H     -5.12616149      0.92932076      2.98923333
  H     -0.41299767      3.86196980      1.32967713
  O     -3.97818518     -0.28742835     -4.87232518
  H     -6.39087617      0.13709175      3.39197724
  H     -3.97912999      3.35001334      0.48829235
  O     -4.83584491     -1.68249044     -0.72693949
  H      0.36538211     -1.03886335      0.48882717
  H     -3.24376066      2.07176323     -0.00474911
  O     -1.86445544      0.54431640     -3.32240049
  H     -0.77989353     -1.86880129     -0.11567688
  H     -6.16096182     -2.74374950     -3.48805081
  O     -3.18761178      3.01420616     -2.76465220
  H     -3.07474346     -1.54601587     -1.21742347
  H     -5.43762753     -1.95012862     -2.37807618
  O      0.88353434      0.74203074      0.18137717
  H     -2.01122819     -0.77101012     -2.06498213
  H     -1.42975494     -0.07836365      3.16349293
  O      0.50923399      1.76384146     -2.30763743
  H     -4.55560142     -0.90414058     -4.40587123
  H     -1.75459995      0.89604145      2.02152951
  O     -1.44929076     -1.92839266      2.96871001
  H     -4.44034274      0.55970031     -4.86417258
  H     -3.25126273     -2.00467012      2.28408699
  O      0.58310547      2.59058219      2.33781884
  H     -5.24073999     -0.81588303     -0.58133972
  H     -4.62601287     -1.28960132      2.26576604
  O     -1.04980231      4.44375194      0.89815924
  H     -4.58408554     -1.99635393      0.15472971
  H     -2.14406872      0.10269451     -0.19728740
  O     -3.99917573      2.65648019     -0.18094985
  H     -2.46641770      0.15801812     -3.97533271
  H     -0.96936187      1.01807556      0.14838423
  O     -5.78237513     -1.89201097     -3.28516326
  H     -2.27229906      1.38167690     -3.06650035
  H     -2.63637111      4.53083441      1.56904600
  O     -1.49653131      0.86232216      2.95666985
  H     -3.90329799      2.84923154     -3.39100937
  H     -3.82306599      5.39029269      2.07041320
  O     -4.12712135     -2.02200154      1.88269043
  H     -3.56414999      2.93337635     -1.87498204
  H     -6.62167233     -0.19570476     -2.98231131
  O     -1.92805161      0.93838816      0.23723255
  H      1.03537975      1.44033496      0.82657855
  H     -6.70515063      0.78647175     -1.79373451
  O     -3.55861637      4.49396215      1.88293041
  H      0.92121541      1.12039934     -0.71177040
  H     -3.07495360      1.72158211      3.43354915
  O     -6.82909190      0.71812346     -2.74956499
  H      0.14664177      2.65435181     -2.23047647
  H     -3.85388799      2.97986625      2.99568874
  O     -3.95094853      2.13002984      3.44109497
  H     -0.16283050      1.24374461     -2.76770009
  H     -1.70246252      3.88525441     -2.30787525
  O     -0.87203064      4.25351648     -1.96189170
  H     -0.94896494     -1.95434012      2.13170305
  H     -0.66340990      5.01111648     -2.50409123
          69
 Energy    -249.51036723782033     
  O     13.44964196      4.15109538    -16.72002261
  H     12.62435327      3.84400297    -17.08628801
  H     21.12184335      3.95727111    -16.05193510
  O     17.69369456      5.52196003    -11.87248049
  H     13.34168168      5.10257920    -16.53931766
  H     18.67224844      8.89687172    -16.45178902
  O     19.53345278      5.98138323    -17.93835929
  H     18.56699765      5.58881487    -12.28476469
  H     19.78869213      8.38984387    -15.49935133
  O     16.92412400      6.10250165    -19.21548391
  H     17.17813817      6.27577853    -12.19178180
  H     18.05267365      6.89234841    -15.67907276
  O     13.35047054      5.83136669    -10.48345384
  H     18.70021518      5.98329800    -18.42213385
  H     17.37155729      5.49590983    -15.48829209
  O     14.07723258      3.88861491    -13.99172557
  H     19.58281965      6.84353527    -17.49910832
  H     13.35032686      6.90961518    -15.11043583
  O     16.21361467      7.51343382    -13.11088907
  H     16.58823361      5.29939750    -18.77467737
  H     14.03833870      7.25141986    -16.46735522
  O     17.64462825      3.67671627    -15.60547768
  H     16.84507793      5.95200024    -20.15368627
  H     15.33617308      1.24282934    -10.36731665
  O     13.00638888      3.15883754    -11.51535311
  H     12.99582167      6.25248473     -9.70504570
  H     14.49984129      2.36656439    -11.02588908
  O     20.25501836      8.67438892    -13.74015510
  H     14.24633652      5.52720451    -10.25112192
  H     20.17680787      6.78711978    -13.44993428
  O     16.02918202      3.96122666    -17.86053647
  H     13.92924427      3.82764056    -14.94228693
  H     20.18218127      5.40721324    -14.15505733
  O     20.32400794      4.43755917    -15.84589814
  H     14.99689858      3.66199323    -13.80024217
  H     17.03064734      4.04238830    -12.66069435
  O     19.32641588      8.19810970    -16.32568896
  H     15.27923479      7.27148250    -13.09402829
  H     16.32449743      2.69998353    -12.35000809
  O     17.24103585      6.44797836    -15.40429415
  H     16.58262611      7.12714221    -13.92149084
  H     16.56001723      5.09346170    -10.46086330
  O     13.30002934      6.77695299    -16.06516498
  H     18.60651773      3.76088306    -15.62791482
  H     15.75471242      3.84066357    -10.07569100
  O     15.40749078      2.07675220    -10.82315738
  H     17.38338024      3.38341840    -14.72166269
  H     16.15020371      7.23647564    -16.54417008
  O     20.01703041      5.84527845    -13.31275404
  H     12.94210062      4.02835019    -11.10183781
  H     16.01522677      7.32229034    -18.06549648
  O     16.65236675      3.25007930    -13.07152299
  H     13.21928786      3.33289736    -12.44369777
  H     13.79331431      5.61217876    -13.51541423
  O     15.81088553      4.79233698     -9.92892799
  H     19.38436302      9.09163413    -13.60744081
  H     13.40992803      6.43438936    -12.27541854
  O     15.71198796      7.74001067    -17.24979451
  H     20.89476611      9.22341941    -13.29505319
  H     17.46855172      9.95380001    -14.53679588
  O     13.63146706      6.51849674    -13.21133190
  H     16.60279864      3.73731647    -17.11486369
  H     17.15558633      9.06022808    -13.32067327
  O     17.76324103      9.74177658    -13.64387404
  H     15.12726792      3.97086001    -17.51759961
  H     16.88992767     10.77282625    -16.95398849
  O     17.12023242      9.98431458    -16.46891535
  H     20.09088367      4.94750965    -16.64237347
  H     16.52632303      9.28178285    -16.78105574
          69
 Energy    -249.51017346824710     
  O     -1.61718406      1.59591682      1.76711265
  H     -1.77626551      0.73316570      2.18680255
  H     -4.43410206      5.67252481      2.58303385
  O      1.05399789      0.11805513      4.73710912
  H     -2.49170446      1.98018660      1.62067734
  H     -4.24937730      3.86919262      7.46899913
  O     -3.60268730     -3.85835547      3.29846709
  H      0.84757068     -0.67310595      4.22225383
  H     -4.51152331      3.24388251      6.07890819
  O     -4.62155647     -1.65985311      1.85404649
  H      0.86242159     -0.11394176      5.65298386
  H     -1.45866818      1.71159849      5.66759428
  O     -4.53095198     -1.64969790     -0.95098913
  H     -2.78884442     -3.98727150      2.79686196
  H     -2.56776929      2.08356797      6.69340927
  O     -4.26581786      2.33962343      1.41596091
  H     -4.11864538     -3.21324132      2.79647188
  H     -5.71815979      2.21947865      4.27070465
  O     -3.81556689      0.95262038     -1.01490762
  H     -4.67627072     -1.70853054      0.89225753
  H     -5.32228747      3.69467828      4.06109003
  O     -0.98912817      0.51080178     -0.66106693
  H     -3.72455786     -1.36338857      2.07438208
  H      0.30722535     -0.16628290      8.20271079
  O      0.03478197     -2.26277063      3.54327162
  H     -5.12278344     -1.88415280     -1.65995989
  H     -0.74892541      0.24347674      7.15226900
  O     -1.20855876     -3.98631824      1.68621053
  H     -4.35202035     -0.69519064     -1.03419468
  H     -1.54254144      3.87493716      4.46141208
  O     -5.38398888      0.59274448      3.33427546
  H     -4.32815802      3.23174866      1.78013042
  H     -2.70147848      4.26253067      5.40189759
  O     -4.30731305      4.75754243      2.81845236
  H     -4.67075547      1.74287261      2.06101600
  H     -2.67735112     -0.61477414      3.78339228
  O     -3.82332215      3.41614711      6.74646505
  H     -2.85201117      0.89645880     -1.02543106
  H     -1.41933884     -1.27712515      3.14825883
  O     -1.92748535      1.40033345      6.45727970
  H     -4.05057334      1.49567859     -0.25064842
  H     -1.66824801     -3.01445144      6.13245917
  O     -5.61077096      3.06150451      4.73044590
  H     -1.08352411      0.94221572      0.20494389
  H     -0.51229380     -2.11447461      6.63412554
  O     -0.07588552     -0.42301525      7.36749969
  H     -0.20093487      0.86927675     -1.06114107
  H     -4.10699976     -3.69266202      6.40566634
  O     -2.25678550      4.51408704      4.58350354
  H     -0.17847581     -2.58972282      4.43281925
  H     -3.57035777     -3.43193599      4.97809949
  O     -2.20170056     -0.74568641      2.95263764
  H     -0.23031380     -2.94362448      2.91352293
  H     -2.72759372     -2.15287044     -0.59095298
  O     -0.71171530     -2.89217495      6.09760206
  H     -1.40881865     -3.35991122      0.96789351
  H     -1.43239578     -1.34362612     -0.41870927
  O     -3.54334634     -3.11401078      5.89935543
  H     -0.88795672     -4.78276024      1.27071969
  H     -0.86439569      2.15304029      3.33035246
  O     -1.81231944     -2.22120122     -0.29316435
  H     -4.86127080      0.32009379      4.10380608
  H      0.14874675      1.62669086      4.37241335
  O     -0.53052469      2.30239956      4.22536104
  H     -5.38358019     -0.18417877      2.75970737
  H     -3.09186278      0.15974490      5.79829112
  O     -3.69221912     -0.39162816      5.28063120
  H     -3.52161129      4.72001268      3.39308322
  H     -3.67250739     -1.29432323      5.62369874
          69
 Energy    -249.50902900338474     
  O     14.64183616      9.91419533    -10.52164255
  H     14.40823532     10.45890451    -11.28467770
  H     17.39616453      5.08451038    -12.21296657
  O     13.48273235     10.80337077    -16.40494083
  H     13.86479160      9.39994569    -10.25170531
  H     12.33185600      7.75821110    -10.71178424
  O     16.96405251     10.78798461    -13.51916354
  H     13.11833258     10.17319814    -15.77068983
  H     13.15815627      7.45932931     -9.42312331
  O     12.91251384      4.99321911    -13.13632547
  H     13.51222979     11.65213118    -15.94583456
  H     18.48912996      7.81766600    -14.76411774
  O     16.97418123      7.16227912     -8.94747774
  H     17.48453501     10.51456310    -12.75003917
  H     19.93278826      7.32709131    -14.58372358
  O     16.57005334     12.62578605    -15.60377067
  H     16.03916650     10.85467659    -13.25078606
  H     14.94566929     13.08970321    -15.13350920
  O     15.41396137      7.58432550    -11.98275500
  H     13.39049408      4.89023573    -12.29932515
  H     13.78239815     14.08601067    -14.90266317
  O     14.20095926     11.09742364    -12.95211691
  H     13.57265507      4.83919877    -13.81974705
  H     12.33085512      8.51914513    -13.65839088
  O     18.06068273      6.91729977    -11.67150109
  H     17.01588549      8.12426983     -8.86192065
  H     13.60492265      8.45818192    -14.53227036
  O     18.34356648      9.80044670    -11.36751543
  H     17.48207853      6.94331933     -9.73607690
  H     15.92029715     10.52873933    -18.42315078
  O     15.31427308      4.72714397    -14.76602331
  H     16.49874263     12.00476288    -16.33866546
  H     15.06113232     10.55002966    -17.13815438
  O     16.77243549      4.40137447    -12.48009915
  H     16.88293356     12.10282607    -14.85170502
  H     10.65566215      7.09010902    -12.44055236
  O     12.68434037      8.14941841     -9.90336782
  H     15.23198315      7.65205561    -12.92852906
  H     12.02699208      6.44882452    -12.74618047
  O     19.05333855      7.24621595    -14.22133893
  H     15.15542730      8.40213661    -11.54352745
  H     14.35750224      6.06871224     -7.51630243
  O     14.01553605     13.16339437    -14.85272506
  H     13.70270172     10.39039081    -13.38778675
  H     15.33783311      6.61225021     -8.58043173
  O     12.87475882      9.03761502    -14.26272059
  H     14.06695486     11.89559518    -13.47684542
  H     14.82808752      6.01329964    -11.31931552
  O     15.97479833     10.49872026    -17.47175455
  H     17.13202317      7.17441913    -11.79707766
  H     14.44985099      5.32002918    -10.00085276
  O     11.59301867      7.26982139    -12.45438849
  H     18.48808402      6.98557138    -12.53926699
  H     15.17135017      6.53969798    -14.85536631
  O     14.41908940      6.32427670     -8.43269732
  H     17.95194670      9.96423282    -10.50059858
  H     15.85124844      7.93402162    -15.08689593
  O     14.57033016      5.15570562    -10.94208603
  H     18.42567194      8.84287660    -11.43806936
  H     16.78322926     10.66605821     -8.29729639
  O     15.06447058      7.49280611    -14.74103389
  H     15.89271724      4.57133047    -13.99862942
  H     16.02962902     10.02058712     -9.48714193
  O     16.85320583      9.99145004     -8.96702462
  H     15.53155450      4.06038923    -15.41182779
  H     16.93341397      9.40534081    -16.30894515
  O     17.27634442      8.95434470    -15.52762759
  H     16.04935020      4.45242817    -11.83839487
  H     17.21974586      9.59293614    -14.79818256
          69
 Energy    -249.50890519249032     
  O      0.43491717     -0.77570180      5.55225484
  H      0.52345762     -1.25534696      6.38904111
  H      2.38839382      1.87548352      9.91307199
  O      1.29455365      2.69312399      3.52700804
  H      0.48994467      0.16829281      5.75331972
  H      4.03464357      1.40513841      7.13433380
  O      5.81271231     -3.51543433      6.14388987
  H      1.05897193      2.45235951      4.43768016
  H      3.79633443      2.48919116      6.06314545
  O      3.71404578     -0.80826149      1.10505392
  H      0.87048168      3.52925915      3.34714994
  H      2.70062136      0.04354917     11.70856420
  O      0.92854923     -1.98354884      7.96900781
  H      5.10988120     -3.70325542      5.50265448
  H      2.84923967     -0.49757552     10.27001736
  O      2.01269431     -4.39682473      6.88014508
  H      6.23967476     -2.70481168      5.84976686
  H      4.47080239      1.78710201      3.93398859
  O     -0.06667797     -1.60928737      3.00240279
  H      3.86386336     -0.75795726      0.16480355
  H      3.21678790      2.68368659      3.87933020
  O      1.42973730      0.46516714      1.77731039
  H      2.90490512     -0.29579829      1.28861483
  H     -0.89538768      3.25715760      8.91295596
  O      2.31992708     -3.06932128      2.29900858
  H      1.83407664     -1.88340595      8.28993951
  H      0.54572403      2.68760663      8.91473630
  O      3.52959733     -1.65652719      9.10289051
  H      0.38415725     -1.43146050      8.54959891
  H      2.22598584     -0.99032423      5.27467030
  O     -0.19602424     -0.11865816      9.64470978
  H      1.46535427     -3.68742899      7.23869662
  H      3.30479020     -2.08848237      5.03225851
  O      2.21161604      2.67180942      9.39667003
  H      2.78117888     -4.45020384      7.46215349
  H      5.01407520     -3.94372411      7.63279252
  O      3.52334821      2.20352767      6.94778239
  H      0.04060562     -1.35173200      3.93361287
  H      4.90214233     -4.92803856      8.82026847
  O      2.42341454      0.19075170     10.80752159
  H     -0.94948328     -1.95983902      2.91457008
  H      4.26897546     -0.36089533      4.06477976
  O      4.08679850      2.60005981      4.28646620
  H      1.36064735      1.24490243      2.34088025
  H      4.70126220     -0.26688321      2.58971779
  O     -0.35249172      2.55998954      8.55549366
  H      0.82365371     -0.19302689      2.14080583
  H      7.74779394     -0.68166454      5.07263373
  O      3.17405628     -1.14770482      5.21780404
  H      2.85214640     -2.40132653      1.85109863
  H      6.28755721     -0.58727075      4.58139607
  O      4.47446771     -4.18197250      8.40865229
  H      1.47528071     -2.64631996      2.49595153
  H      3.08061358     -3.72141727      3.78527022
  O      4.96056837     -0.00784815      3.48228924
  H      3.85365390     -2.56176615      9.01270764
  H      2.87557373     -4.14086203      5.29861672
  O      6.85211919     -0.91870769      5.29949234
  H      4.06060152     -1.11821474      8.49731246
  H      1.79340734      1.95766318      6.43373117
  O      3.51589175     -3.82486694      4.64334022
  H     -0.39408167      0.74605131      9.26712591
  H      0.32288429      2.16181940      6.88791549
  O      0.87218705      1.90027737      6.13833895
  H      0.60864309      0.00493137     10.16459883
  H      4.18242827     -0.57586983      6.52754461
  O      4.83277456     -0.23203617      7.16394223
  H      2.77364629      2.62542535      8.61107190
  H      5.68827551     -0.37272981      6.74472581
          69
 Energy    -249.50840050332130     
  O     16.84025188      3.69729980    -15.26726918
  H     16.56406812      3.13429829    -14.53380355
  H     15.04656296     10.33472069    -15.53481233
  O     18.78106112      9.66096655    -10.08725130
  H     16.19678574      4.41769773    -15.30015063
  H     13.75481301      8.37176683    -15.90479429
  O     13.37208862     11.19735609    -12.31041452
  H     19.16180902      9.49594275    -10.95913808
  H     12.41317545      7.74858757    -16.36967226
  O     16.91290689      7.93298670    -14.56618907
  H     18.49339991      8.80984075     -9.73775959
  H     16.20956580      9.76350550    -12.00784267
  O     19.44801180      4.32213529    -14.83142490
  H     13.08328066     10.31135933    -12.56931216
  H     15.68749159      8.48454434    -11.34696644
  O     17.58961671      7.26459917     -9.04072220
  H     13.96702786     11.49266524    -13.01007770
  H     17.16609025      2.59613140    -12.52495334
  O     13.41135155      6.60701883    -10.89001875
  H     17.77600912      7.55009767    -14.37400852
  H     16.09260622      1.48019589    -12.50414464
  O     17.68075369     11.38694411    -13.44967272
  H     16.58289837      8.28868758    -13.72594931
  H     13.68720022     11.43789454     -9.16105239
  O     15.11515358      8.22075484     -9.54697385
  H     19.99298341      3.94535096    -15.51690047
  H     13.87232164     11.04107833    -10.64432017
  O     15.11175535      5.88543360    -14.91933248
  H     18.52451893      4.11331595    -15.06181867
  H     16.85332307      5.58861219    -11.66871170
  O     19.22934625      6.79083777    -13.52081054
  H     17.70224529      6.99901535     -8.13166414
  H     17.73570849      6.24973358    -10.55914859
  O     15.06879741      9.48982562    -16.00048091
  H     16.68231230      7.60861501     -9.12525103
  H     15.97718511     11.28972935    -10.36572122
  O     13.08836832      7.68924469    -15.69999877
  H     13.96639910      5.93815174    -11.31340829
  H     17.46544089     10.80406187    -10.45963084
  O     15.88154042      8.87840563    -12.20582161
  H     13.12173277      7.19767711    -11.59843516
  H     15.19730853     12.73391904    -14.84019889
  O     16.25131825      2.37877629    -12.77933790
  H     18.36868288     10.71605007    -13.40061145
  H     16.11859094     11.70187518    -14.15557079
  O     14.21784427     10.90151826     -9.74383325
  H     17.43419810     11.57222221    -12.52894763
  H     15.44125568      4.03129359    -12.36984438
  O     17.76212459      5.79793150    -11.41080815
  H     14.74874466      9.11287002     -9.51364384
  H     15.11906332      5.30338225    -13.19161486
  O     16.77762886     11.32978775    -10.89853712
  H     14.43189935      7.62063804     -9.88698303
  H     19.15552393      3.54265994    -13.06232855
  O     15.20444483     11.86296425    -14.45003270
  H     14.32051379      6.32461508    -15.25024503
  H     18.51918542      4.12783989    -11.79153980
  O     15.23578068      4.97116342    -12.28976170
  H     15.78879675      6.57551670    -14.84610649
  H     14.11896345      8.63334639    -12.84240842
  O     18.75497130      3.29324689    -12.22072271
  H     19.43627399      6.00262059    -14.03728633
  H     13.05730776      8.20217101    -13.89602062
  O     13.17115163      8.49046209    -12.98272589
  H     18.73087847      6.48671418    -12.74570589
  H     19.64856936      8.48123582    -13.08433753
  O     19.75020789      9.40142685    -12.79393643
  H     15.83758179      9.01638919    -15.65408987
  H     20.65855789      9.63994027    -12.96805253
          69
 Energy    -249.50770618140086     
  O     13.46582377     13.51922955    -10.95652484
  H     12.52564464     13.38562861    -10.78397421
  H     12.41403555     13.51075801    -16.19091451
  O     12.68026654     10.46401934    -15.14815099
  H     13.54664598     13.75115124    -11.89552137
  H     16.98515235     10.77220350    -16.16436117
  O     14.42823338     10.87259266    -10.80314072
  H     13.44197881     10.32431834    -14.56802332
  H     15.80183136     11.29571317    -17.02494168
  O     18.40649437     13.46189026    -13.28338902
  H     11.91499710     10.11417277    -14.67555664
  H     14.56659762     13.65572449    -13.82523694
  O     10.74522108     12.91392253    -10.76443002
  H     14.16022023     11.80216487    -10.83010014
  H     13.08586524     13.93961792    -14.18933630
  O     11.68937062     10.21002651    -11.02164625
  H     15.35898904     10.85704839    -10.54502493
  H     14.47918047     14.14241909    -17.35148325
  O     14.88514412     10.21273129    -13.46809015
  H     18.23339485     13.69119452    -12.35526413
  H     13.36645027     14.43841931    -18.37961276
  O     15.61486989     16.19293203    -12.97009773
  H     18.29558237     14.25957684    -13.81358156
  H     16.76295257     12.88598568    -13.77861556
  O     10.56832716      9.73179675    -13.45137997
  H      9.99115114     13.25240958    -10.28966767
  H     16.11866490     12.37186459    -15.09423850
  O     16.19442376     14.31006221    -16.97349536
  H     10.48900069     12.86992917    -11.70388560
  H     18.64421903     11.62682417    -12.98490872
  O     17.13355135      9.34628581    -14.82735220
  H     11.32371411     11.07271013    -10.78905466
  H     18.15938394     10.23048528    -13.44562621
  O     11.97812553     13.16427229    -15.40188825
  H     12.63945408     10.27727724    -10.86195793
  H     13.82373442     12.00956885    -17.66514755
  O     16.65770071     11.54431639    -16.63831233
  H     14.66947370     10.26618674    -12.52942838
  H     13.54560839     10.76037377    -16.80131681
  O     13.79247398     14.18803801    -13.58245479
  H     15.25785011     11.08168939    -13.69166557
  H     17.65566492     10.80295322    -11.15406528
  O     13.55902156     13.93584684    -17.59208731
  H     15.65849046     16.05893885    -12.01742521
  H     17.69518941     10.48243316     -9.64331981
  O     15.92717942     12.61274499    -14.17781005
  H     14.87321692     15.64500086    -13.26481609
  H     17.48018137     12.85766261    -10.41218780
  O     18.49233910     10.71951542    -12.68529476
  H      9.96236140      8.99775221    -13.39856950
  H     16.93883955     14.30882422    -10.43298059
  O     14.10338813     11.09825189    -17.51426168
  H     10.98860261      9.81421108    -12.57634759
  H     10.12374206     11.60632950    -13.47943841
  O     17.18942731     10.94099015    -10.30984280
  H     16.56834464     13.41933389    -17.00741116
  H     10.63068590     12.91782652    -14.10878330
  O     17.69854977     13.76204510    -10.66685772
  H     16.64840448     14.77262019    -16.25973894
  H     18.01565332     16.50376642    -15.03048282
  O     10.11240923     12.56599590    -13.37357032
  H     16.30428744      9.49490627    -14.34259710
  H     16.87776399     15.93333955    -14.15283726
  O     17.55599383     15.69720654    -14.81067965
  H     17.16619105      8.41539699    -15.03490924
  H     15.12413678     15.85314409     -9.44696546
  O     15.39015502     15.33400768    -10.20174792
  H     12.23115184     12.23117296    -15.33337595
  H     14.67238779     14.70211166    -10.37435906
          69
 Energy    -249.50769147798599     
  O     -2.71986053      5.18443574     -1.49684425
  H     -2.48438627      4.33102946     -1.89236784
  H     -0.28599913      6.40299653      0.32932521
  O      1.49115688      0.87394831      5.43485968
  H     -3.27448691      4.97186627     -0.73866064
  H     -1.91826691      0.09422805      3.63572968
  O     -0.67349115      3.22859664      0.46426803
  H      1.76629161      1.07648190      6.32548089
  H     -2.06231438      1.56336611      3.14782182
  O      0.96046398      2.25061057     -2.66635885
  H      1.41311775      1.72362030      4.96816640
  H     -0.52179441      7.39354136     -2.08593120
  O     -0.76823573     -0.48869383      0.96560302
  H      0.04059531      2.59643812      0.32063352
  H     -1.26630325      6.14401343     -1.56111939
  O      1.21365635      3.12676156      3.91147079
  H     -1.20498789      3.19550152     -0.33947227
  H     -3.36413893      0.77380449     -0.22148129
  O      1.79527519      4.76311341     -1.55850073
  H      1.39790773      1.73051402     -3.33545236
  H     -2.05182782     -0.01366915     -0.36311764
  O     -2.65979043      5.59527384      2.71184938
  H      1.08211701      1.78323362     -1.82076183
  H     -1.18563647      3.13617873      2.15656066
  O      2.75191831     -0.40173135      3.22363235
  H     -1.30512751     -0.06527579      1.64957424
  H     -1.89920221      4.02070065      3.20005110
  O     -0.68577968     -0.80868262      4.57166749
  H     -0.25539796     -1.17620714      1.40970630
  H     -0.89535029      2.53183981     -2.45613699
  O      3.53710627      4.40840957      0.49765063
  H      0.26510040      3.13554340      3.72144422
  H     -2.14094491      1.86021026     -1.79518892
  O     -0.29040233      5.93462857      1.17179319
  H      1.55337111      3.99500012      3.64678772
  H     -5.16076793      1.00791322      1.46992301
  O     -2.37443748      0.65782761      2.99458548
  H      1.50474225      3.97328519     -2.02939557
  H     -3.70192331      1.15995843      1.94371600
  O     -0.41120508      6.61101702     -1.55290790
  H      1.06724917      5.39461549     -1.59944647
  H     -4.29529062      3.32411570      0.92788172
  O     -2.72779360      0.45303030     -0.87113539
  H     -1.88427266      5.90416063      2.22253831
  H     -5.24206450      4.51679187      0.70839459
  O     -1.42113524      3.18687800      3.09652342
  H     -3.26613598      5.24243449      2.04902574
  H      2.22008065      2.40194286      2.53547306
  O     -1.78247823      2.70084474     -2.11812581
  H      2.43756121     -0.04250274      4.06372840
  H      3.15560037      2.81819691      1.37218876
  O     -4.35201139      1.48554009      1.29755059
  H      2.94084291      0.36689937      2.67079914
  H      0.49328387      0.53279341      0.19044110
  O     -4.31807896      4.27374777      0.73859687
  H     -0.22301238     -1.40387394      3.96952364
  H      1.77483443      1.37875165      0.50408361
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  H     -0.00302732     -0.24492693      4.95630781
  H      1.17463159     -3.06309877      2.49523737
  O      1.12662427      1.16323177     -0.18049442
  H      2.91516050      4.55621213     -0.23662449
  H      1.57558261     -1.58600179      2.72732209
  O      0.82694064     -2.17617687      2.52576408
  H      4.38193997      4.74501651      0.21047645
  H      1.21768663      5.75924193      2.26492962
  O      2.01482375      5.44231098      2.71195601
  H     -0.35864958      4.99837189      0.93251098
  H      2.62283337      5.20217427      2.00285322
          69
 Energy    -249.50672686433307     
  O     17.61265526      9.34816352    -14.78962082
  H     17.72029319     10.29180367    -14.98411142
  H     12.21540971     11.62567003    -10.15080801
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  H     17.96475872      4.67519695    -12.52507500
  O     12.71656260      8.27029895    -11.07498949
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  H     16.50764408      4.83947203    -12.06758726
  O     15.68226074      8.23878739    -16.48011146
  H     18.56366794     12.25537803    -14.45611871
  H     16.39974636      7.53983138    -10.54753252
  O     19.21897320      7.78827736    -13.20881504
  H     13.62460436      8.05539263    -10.82545638
  H     15.69897970      8.61689816    -11.38733240
  O     20.33737473     10.06957743    -12.02549263
  H     12.62074423      9.22028436    -10.94200412
  H     19.35242603      4.55221294    -14.73145884
  O     18.19522860      7.07483577    -10.71166352
  H     15.49590304      8.41700886    -17.39761929
  H     18.05673845      5.39121303    -14.59582819
  O     12.42053233      6.96539896    -13.41561135
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  H     18.46212301     13.26403749    -12.19012590
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  H     19.26118321      6.88848107    -13.55471169
  H     17.52744815     12.78339740    -11.07331022
  O     13.60594034      9.04819873    -14.97495102
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  O     12.83811753     11.11256184    -10.65900311
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  H     16.73208746      9.67167311    -13.24561669
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  H     15.43399805     10.35986111    -12.73971854
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  H     18.52234913      7.40269039    -11.56340720
  H     20.06532993     11.63583137    -12.74978933
  O     18.89603845      5.15894299    -14.15549556
  H     11.56740145      6.55036378    -13.51005397
  H     20.75462977     12.89054544    -13.32792975
  O     17.63061097     13.47159171    -11.74461597
  H     12.41595518      7.43205397    -12.56011847
  H     17.04660544     10.73956088    -11.05547973
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  H     15.48991457     14.34540112    -13.88249515
  H     18.05259771     10.58309940     -9.88430240
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  H     16.32777591     13.50014951    -12.89567203
  H     14.07796077      6.11648545    -13.05201254
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  H     13.63542070      9.83803894    -14.42058758
  H     15.19028972      6.58333686    -12.09969643
  O     17.35535424     11.15116042    -10.23267670
  H     13.15197221      8.36239243    -14.47089669
  H     19.75589298      9.04423875     -8.64354046
  O     14.98021769      5.92141262    -12.76981980
  H     13.50881035     11.32675007    -12.38527444
  H     18.92912880      8.41996615     -9.78999761
  O     19.30191226      9.25328601     -9.45597971
  H     14.44988242     12.08510918    -13.38508638
  H     15.77173725     10.74641647     -9.38163223
  O     14.94636042     10.29159810     -9.16099533
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  H     15.10342271      9.37436462     -9.40928829
          69
 Energy    -249.50600519650038     
  O     18.56369653      9.31443376    -14.85537925
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  H     15.93883727      1.45179751    -11.43899859
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  O     14.67819061      6.07646449    -10.02628522
  H     17.56381877      4.41138676    -16.67674511
  H     17.11868878      2.33634787    -13.02345110
  O     14.55892964      3.35641671     -9.26331904
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  H     15.62840303      5.93063049    -10.14884375
  H     13.16289137      6.62542782    -12.85014378
  O     14.44047310      7.14501335    -15.95939955
  H     14.57329915      6.97633980     -9.69279231
  H     15.21842480      6.40074627    -13.12548375
  O     18.77809828      5.74989059    -17.10155205
  H     14.26574384      2.86539841    -10.04101195
  H     15.64924292      6.88211379    -14.52043495
  O     14.59632388      8.78812945     -9.39757995
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  H     19.37787149      6.21642086    -14.05873546
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  H     13.77332120      9.20062171    -12.66005753
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  O     14.19640665      3.51082302    -13.80237550
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  H     16.61351839      8.28811168    -12.96988935
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  H     17.78200033      5.49324860    -11.17884955
          69
 Energy    -249.50591650634334     
  O     -4.79325138      3.65346658      3.94295395
  H     -4.94153946      4.26122865      3.19452216
  H     -5.70258088      4.15274504     -1.40393364
  O     -3.98768021     -1.25178281      0.05504137
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  O     -2.23508974      4.52618625     -1.46105851
  H     -4.15015253     -0.31238054     -0.12925722
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  O      1.98318197     -0.62390109      2.97659425
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  H     -0.37593798      1.97784269      4.49766805
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  H     -3.18277509      4.51828694     -1.28412422
  H     -2.55297243      7.62040494      2.80851660
  O     -0.98691993      3.15639228      1.68469233
  H     -3.88600740      1.68233934      0.61255265
  H     -2.39290999      6.13491050      3.20967380
  O     -0.41020757      0.16568275      4.35474172
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  H     -1.62492368      4.27067286      4.58911819
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  O     -2.53279296      6.73478172      2.45463515
  H     -1.10066917     -0.22345770      3.80572666
  H      2.39067767      4.59799841      4.66720381
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  H      0.42362330     -0.14291350      3.97814759
  H     -4.95453982      4.96155419      0.92159590
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  H     -4.14768064      5.87113700      1.89072302
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  H      3.69641624      3.19973886     -0.65846281
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  H     -4.79325203      3.16022505     -0.64566371
  H     -1.24555322      5.36808628     -0.21816238
          69
 Energy    -249.50541425129632     
  O      2.13059921     -0.18975696      4.85532195
  H      2.04387544     -0.70219880      4.04045743
  H     -1.52431480     -2.29639607      3.49290665
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  H      1.55613779      0.57906737      4.74552065
  H      0.57731627      1.46683428      2.60185817
  O     -0.97307632     -5.04231025      6.16754429
  H      2.51895393      3.27572446      6.43767080
  H      1.07268485      1.85871526      1.19116893
  O     -1.92534451     -1.90809962      9.04542747
  H      1.29346259      2.83633218      7.24770590
  H     -4.26552644      1.74331484      2.26308727
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  H     -0.24217498     -4.75395581      6.73242806
  H     -2.95949200      0.93056751      2.24266086
  O      1.51886084     -1.48925684      2.47498845
  H     -1.75974688     -4.59707435      6.50195169
  H     -2.76084237      1.29231115      4.39473816
  O      2.36561061     -3.76952684      3.94160848
  H     -1.80592373     -1.01953420      8.68671613
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  H     -0.95795960      0.29792214      1.38743531
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  H      3.18492417     -3.74077790      5.47570347
  H     -1.63897111     -1.04604853      1.70659324
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  H      4.35123207     -4.29476741      6.32596746
  H      0.56065924     -2.36309781      6.78176241
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  H      1.40034782     -0.62983410      2.05238368
  H      0.97640785     -1.15815519      5.87272445
  O     -1.04757229     -2.57905571      2.69824266
  H      0.63031590     -1.86974215      2.54642740
  H     -0.25643458     -5.97995878      3.26113634
  O      0.74101821      1.12713638      1.70534813
  H      1.56233920     -4.29505427      3.83855674
  H     -0.47537428     -5.10105432      4.51521679
  O     -3.49332635      1.53837337      2.78252780
  H      2.26108663     -3.01839362      3.34540024
  H     -0.58087403     -0.25822348      7.29216636
  O     -2.23912178      0.96031983      5.13949874
  H      3.24732985     -0.56801871      6.27476944
  H     -1.65446519      0.78002771      6.89648747
  O     -1.81417259     -0.14702537      1.40266999
  H      3.74148251     -1.88601137      6.88308625
  H     -2.73380812     -2.93839060      7.87897933
  O      0.24499430     -1.55557962      6.36079123
  H      0.28631466      2.57053444      9.54599485
  H     -3.99855950     -3.73964566      7.49486852
  O     -0.13955624     -5.09665199      3.60046609
  H     -0.04380782      1.53347114      8.44557741
  H      2.01607647     -3.90415319      7.33731711
  O     -1.14829032      0.44467126      7.64828828
  H      1.74559403      0.52203196      9.17070171
  H      1.05495684     -3.52745686      8.52534678
  O     -3.14663590     -3.46204835      7.16933661
  H      2.70002142     -0.52906228      8.54119287
  H     -0.58628907      1.58512208      4.61116649
  O      1.09733338     -3.90329744      7.63638962
  H      1.21960634     -1.71982211      9.80012780
  H      0.66870376      2.43991110      4.99850575
  O      0.29350771      1.86054579      4.32018500
  H      0.91799884     -2.72726505     10.93653411
  H     -1.26810479     -1.78106363      5.50123322
  O     -2.15504331     -1.82090462      5.10635677
  H     -0.79932252     -3.49763178      2.85964976
  H     -2.67721080     -2.37189908      5.70000233
          69
 Energy    -249.50526743174493     
  O     14.21848398      7.54987693     -9.46233201
  H     13.90688315      8.23372216    -10.08089576
  H     13.83448853      8.60136190    -15.93069090
  O     15.90068105      5.32247431    -15.19634839
  H     13.66849707      7.60985234     -8.68566000
  H     18.08750629      7.56363813    -14.99694322
  O     16.88803560     10.71749558    -10.83121677
  H     16.24386431      5.04032370    -14.33496991
  H     18.68606284      7.18397235    -16.37230793
  O     18.42469432     10.86682905    -13.29375713
  H     16.56585295      5.91426890    -15.55991502
  H     15.80691151     10.56487968    -14.95976101
  O     10.27397550     11.07489958    -14.07277317
  H     16.07645697     11.18330726    -11.06754193
  H     16.85837440     11.39838616    -14.19317243
  O     16.82266801      4.77908290    -12.64639355
  H     17.48604827     10.86092789    -11.57269137
  H     14.86167168      8.55135230    -12.40942354
  O     11.73609054      8.75779086    -13.42720209
  H     18.41757391      9.89487668    -13.30222745
  H     15.19149273      7.07129431    -12.65078091
  O     14.56903457     11.77551094    -12.10603355
  H     19.33919302     11.13822772    -13.30680675
  H     14.34737725      6.18127277    -10.76724569
  O     13.84503889     12.74595189    -15.76850954
  H     10.70731420     11.03402226    -14.94527135
  H     13.60048080      5.68437148    -12.04272425
  O     13.24979659      5.56226012    -15.71543324
  H      9.35264525     11.26279373    -14.22996437
  H     11.87506791      6.86822869    -13.11389018
  O     15.55739495      8.88504256    -15.51219448
  H     17.48924847      5.25138312    -12.13736737
  H     12.47717548      5.74799871    -13.98442196
  O     12.90249677      8.34226838    -15.96469637
  H     15.98677257      4.91881992    -12.17572853
  H     18.52662943      7.55538708    -12.58855203
  O     17.86355945      7.33956154    -15.91565303
  H     11.12542923      9.49753540    -13.53253297
  H     17.18711922      8.11086760    -13.10509205
  O     15.96892652     11.43506438    -14.56513221
  H     12.15928996      8.63152063    -14.28811415
  H     19.31751101      6.11657947    -10.53255816
  O     15.39949704      7.96379946    -12.95329118
  H     13.76675777     12.25684349    -12.35688690
  H     18.07288818      7.03361969    -10.60546839
  O     14.45247462      5.67397311    -11.58030406
  H     15.06146621     11.64536342    -12.92681817
  H     12.10019923      9.98814897    -16.37832305
  O     12.18449953      5.95452642    -13.08752202
  H     14.64461000     12.35454943    -15.38204680
  H     12.48159650     11.48699165    -16.26579071
  O     18.14391599      8.12556865    -13.26774913
  H     14.13428320     13.48114242    -16.30421954
  H     16.09767182      7.88682750     -9.58907267
  O     18.66703356      6.46729821    -11.13385520
  H     14.20121342      5.46276459    -15.53079429
  H     16.98511011      9.04264055    -10.10266290
  O     11.73395793     10.88249343    -16.35074007
  H     12.99800339      4.81467949    -16.25141585
  H     12.78179438     12.97706389    -14.15165918
  O     17.00580373      8.11968998     -9.81054503
  H     16.31745605      8.42474963    -15.88585871
  H     11.59091961     12.33380467    -13.42491067
  O     12.36111305     12.89795189    -13.28639101
  H     15.41228666      8.49542722    -14.63311465
  H     12.84232920      9.13572115    -12.06166396
  O     13.51997338      9.33659475    -11.40041966
  H     12.90505155      7.37700893    -15.99400453
  H     13.82861449     10.23873244    -11.55965101
          69
 Energy    -249.50464248817218     
  O     -3.91013717     -1.61623222     -1.62993724
  H     -4.42698470     -1.84953257     -2.39707025
  H     -1.27595345     -3.84617013      2.15329367
  O     -2.19990797     -0.99795419      1.87528727
  H     -4.04568653     -2.32811493     -0.97893062
  H      3.98481012     -0.76696822      2.26815161
  O     -5.56251161     -3.45578202      2.69159811
  H     -1.99148892     -1.91157940      1.64431969
  H      2.46564842     -0.50536314      2.16560579
  O      2.27447614     -2.39759688      4.84894192
  H     -3.15681050     -0.93507828      1.98667278
  H     -3.46693249     -2.90979956      5.14254817
  O     -4.16753991     -3.58948655      0.20863640
  H     -4.85841931     -3.57196624      3.35523766
  H     -2.69143905     -3.94103198      4.30723575
  O      2.25982229     -3.66248010      1.38632174
  H     -6.32423956     -3.92926327      3.01406803
  H     -3.80775533     -0.11235143      5.22785228
  O     -2.88267856     -1.45203221      6.24610469
  H      2.20830880     -3.32291689      4.58334709
  H     -3.79499470      1.19892500      4.39531737
  O     -4.97383992     -0.73802295      2.30175124
  H      2.61664232     -1.93042399      4.07615729
  H     -2.02892753     -1.48131708     -1.70797246
  O     -0.99190650      0.78477357      0.11747288
  H     -3.27274671     -3.73684496      0.54765936
  H     -0.93678541     -0.53715442     -1.17929974
  O      0.37495742     -3.46453333     -0.72280092
  H     -4.74181586     -3.61124612      0.98240656
  H      0.63702117      0.68317472      2.62279148
  O     -0.85023844      0.49754697      3.72818328
  H      1.67677692     -3.53691972      0.62882929
  H      0.64093926      0.75105700      1.10032517
  O     -1.60827328     -3.64687834      1.26765245
  H      2.58329892     -2.78767095      1.63945291
  H      1.95724221     -4.57698867      2.81616558
  O      3.13295538     -1.17715333      2.39228094
  H     -2.94430559     -1.50854483      7.19686272
  H      2.25101700     -5.80487950      3.71417842
  O     -3.58291622     -3.64108066      4.52443909
  H     -1.93845300     -1.52163762      6.02596530
  H     -4.88940111      0.20722415      0.77022471
  O     -4.35011015      0.46083331      4.67172386
  H     -5.29091328     -1.63857811      2.43588041
  H     -4.35211461     -0.03707498     -0.65190561
  O     -1.07170104     -1.37479127     -1.64183021
  H     -4.87414879     -0.32267524      3.17166329
  H     -2.84695763      2.63430660      2.56315056
  O      1.22854424      0.65292489      1.85902645
  H     -1.42202010      0.11582064      0.67500361
  H     -2.75719809      3.48268281      3.84882024
  O      1.76559689     -4.98571369      3.68085747
  H     -1.54362450      1.56848732      0.20169625
  H     -0.67131225     -3.15787765      4.36174269
  O     -4.60654402      0.66121994     -0.03765352
  H      0.48501146     -4.07397863     -1.44860403
  H      0.00256826     -4.46752488      3.89078715
  O     -2.71862169      2.58608024      3.52379388
  H     -0.09367014     -2.69057470     -1.08307172
  H     -0.42075560     -0.81323810      4.82774625
  O     -0.83861954     -3.99375155      3.90470916
  H     -1.31593584     -0.08735462      3.10734037
  H      0.63882943     -1.84562556      5.31630584
  O     -0.30182952     -1.61997050      5.35156739
  H     -1.37684442      1.30272985      3.77434699
  H     -3.25341180      3.46395617      0.20561605
  O     -3.04910703      2.70271154      0.74236078
  H     -0.87341899     -3.67689577      0.64357734
  H     -3.64010534      1.98620389      0.44257265
          69
 Energy    -249.50454841937309     
  O      9.52149425    -11.26148937     -0.88914041
  H      8.80717950    -11.62542531     -1.43602474
  H      5.57015409     -9.58384526      3.17198003
  O      3.98761354     -9.09365619      2.09069154
  H      9.79469367    -10.43967503     -1.31515110
  H      5.35045722     -9.89845649     -1.41345680
  O      8.48972593    -15.47704277     -0.45866343
  H      3.17645936     -8.71674792      2.42097159
  H      5.34963869     -9.96259954     -2.95897411
  O      7.41783811     -7.66165207     -2.05396290
  H      3.81691123    -10.03907914      1.93604964
  H      6.93174376     -9.35218800     -4.44998533
  O      4.61496690    -15.68744221      1.72718181
  H      9.01939933    -14.78934157     -0.03904684
  H      5.79578659     -8.57581169     -5.16036751
  O      6.32044099    -12.68214221      4.27663251
  H      8.08672289    -15.98328792      0.25780846
  H      7.54585439    -15.77907435      2.26869150
  O      5.78588615     -8.76547996     -0.04870203
  H      6.84319398     -7.87505226     -1.30688136
  H      7.65779864    -17.31313523      2.45070955
  O      8.44349849    -10.25215080     -4.36057147
  H      6.91974715     -7.90642239     -2.84341031
  H      9.01258545     -8.37572295     -2.13909285
  O      6.22963241    -12.80104244      0.81103827
  H      5.46172235    -16.14180141      1.80086135
  H     10.53251639     -8.17121700     -2.33249774
  O      9.97782359    -13.34879085      0.86012989
  H      4.56175360    -15.38586925      0.80919092
  H      5.40527229    -14.73482953     -1.55031120
  O      6.96330615    -14.87937400     -2.60057143
  H      6.30211912    -11.72904077      4.10662872
  H      4.18871246    -13.85775517     -1.07929721
  O      6.36796607    -10.00932990      3.50428711
  H      5.43011729    -13.01471780      4.11723253
  H      7.48198410    -13.58184947      3.34660973
  O      5.20894541    -10.49239564     -2.16434352
  H      5.10590400     -8.69998484      0.63144170
  H      8.65387468    -13.68832233      2.27184583
  O      6.09728777     -8.87099377     -4.30578282
  H      6.49938187     -9.29774307      0.33636976
  H      3.87249833    -11.65681778     -1.59506840
  O      7.31155955    -16.63877848      1.87201452
  H      9.06446360     -9.77749963     -3.79513580
  H      3.23690134    -12.06800573     -0.24859096
  O      9.85830252     -8.84223586     -2.26793512
  H      8.15965699    -11.01826384     -3.84141511
  H      4.04336232    -14.52469194      2.89905474
  O      4.79572761    -14.56966273     -0.82271171
  H      6.68622446    -13.33651450      1.47132689
  H      3.14219915    -14.24732371      4.12300678
  O      7.91241553    -14.14530848      2.68303154
  H      5.81328664    -13.41293796      0.19128485
  H      3.54056431    -12.41345531      2.31010452
  O      3.29900815    -12.31545363     -1.17943803
  H      9.87657293    -12.59782897      0.25334466
  H      4.65398831    -12.03157727      1.33669534
  O      3.74837926    -13.83086189      3.51638717
  H     10.91487065    -13.43785625      1.02012118
  H      7.12228712    -11.28678155      0.92893542
  O      3.76171253    -11.77898258      1.61707660
  H      7.54333848    -15.13502618     -1.85949185
  H      8.40530651    -10.59068047      0.44299758
  O      7.64217939    -10.47201465      1.01845745
  H      7.12522894    -15.49771719     -3.30778163
  H      6.64174042    -11.64808181     -2.32964515
  O      7.46376789    -12.12354912     -2.51374474
  H      6.96039810    -10.07209750      2.74317790
  H      7.25805188    -13.06088807     -2.60745019
          69
 Ord_Energy   -249.504333    
 O   -4.23805141     -0.783704281       5.29727014E-03
 H   -3.52089596     -0.415884763     -0.504272282    
 H   -5.03153133     -0.259072304     -0.208817765    
 O   -6.53660154      0.499678671     -0.612587869    
 H   -7.08137989      0.947955310       4.84676100E-02
 H   -7.10769224     -0.144649938      -1.04768515    
 O   -7.69586039      -4.52369022       4.45107841    
 H   -7.93246794      -4.65343189       3.52089787    
 H   -8.50218868      -4.70713663       4.94807816    
 O   -7.29126167     -0.979213655       2.51489186    
 H   -6.33393908      -1.11002815       2.50591564    
 H   -7.48729897      -8.38797688E-02   2.20960593    
 O   -4.37929869      0.843442261       4.38440275    
 H   -3.60924864       1.25619149       4.76689863    
 H   -4.95684528      0.587412119       5.12732410    
 O   -6.65809202       2.49357915       3.61020398    
 H   -5.84253407       2.00974798       3.78290844    
 H   -7.15107727       2.48736930       4.44082785    
 O   -8.93485737      -2.34570265      0.855968654    
 H   -8.29574490      -1.88614643       1.42385793    
 H   -8.71796989      -2.12952495      -5.81920817E-02
 O   -5.71480560      -3.06613660     -0.959942698    
 H   -5.10087776      -2.41518927     -0.600035310    
 H   -5.70297575      -3.82990623     -0.370164514    
 O   -8.12859631       2.22604108       6.03494740    
 H   -8.43156815       2.89225721       6.64599895    
 H   -8.92241192       1.76712298       5.70781994    
 O   -11.1061897      -1.74699938       2.43341684    
 H   -10.3593721      -1.97046196       1.85585296    
 H   -10.8105259      -1.81657171       3.35330105    
 O   -11.0536222      -4.68640041       2.82860494    
 H   -10.2321081      -4.90300655       2.36647916    
 H   -11.2866125      -3.78976655       2.56404090    
 O   -5.10898495      -4.12942934       3.17089462    
 H   -5.83625889      -4.23220444       3.79470444    
 H   -4.88603926      -3.18992114       3.12970328    
 O   -8.06276321       1.48608518       1.51411986    
 H   -7.61272717       1.97414052       2.22286892    
 H   -9.00101757       1.42572057       1.72667181    
 O   -10.8008051       1.00062013       2.21078467    
 H   -11.5690842       1.42088079       1.83085477    
 H   -10.9854193       4.69284095E-02   2.22234559    
 O   -7.95401812      -1.75236642      -1.68391180    
 H   -7.15434170      -2.27899885      -1.49596703    
 H   -8.20668125      -1.94161880      -2.58313823    
 O   -10.3822947      -4.71749163       5.46364355    
 H   -10.6959429      -4.78714132       4.54377222    
 H   -10.8779097      -5.35332251       5.97248793    
 O   -4.57259083      -1.38327777       2.70086503    
 H   -4.32245827      -1.15702653       1.79426360    
 H   -4.39944696     -0.617198288       3.26491833    
 O   -10.3299580      -1.88180363       5.14725780    
 H   -9.36630726      -1.78297746       5.19135094    
 H   -10.5027275      -2.79298139       5.40878439    
 O   -5.77149963      -5.27682209      0.823201597    
 H   -5.28156948      -6.08562279      0.700010121    
 H   -5.46481419      -4.88745737       1.66264772    
 O   -6.15346909      0.203182757       6.31343222    
 H   -6.62563181     -0.588561177       6.01839924    
 H   -6.81870556      0.901793003       6.35581017    
 O   -10.2949610      0.941231191       5.03469992    
 H   -10.4462509       3.18599003E-03   5.20704842    
 H   -10.4918566       1.07301807       4.10005999    
 O   -7.58229399      -1.83456695       5.08623123    
 H   -7.51138020      -1.45135880       4.19830179    
 H   -7.53582001      -2.79237819       4.96698427    
 O   -8.42982006      -4.88735580       1.75110829    
 H   -7.59728909      -5.17638922       1.36030006    
 H   -8.60708809      -4.01029778       1.37746716    
          69
 Energy    -249.50384431325119     
  O     15.06722437     10.26041758    -10.56428684
  H     14.82463862     10.78760407    -11.33675207
  H     14.38208178      5.63399615    -14.48543699
  O     12.91614695     10.12796669    -16.16325498
  H     15.91386427     10.57576701    -10.22164933
  H     16.06068228      4.25875711    -11.51506371
  O     16.86110688     10.68219996    -14.20712767
  H     13.02295455     11.05887101    -15.92993767
  H     15.77280331      3.26190650    -10.36935152
  O     13.14371172      5.02689482    -11.88116218
  H     12.68548162      9.67860885    -15.34037513
  H     14.07761297      8.96117072     -9.62140606
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  H     17.89525315      7.05429060    -15.07033319
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  H     13.36662231      4.80884896    -12.79420967
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  H     13.42268775     13.66032940    -15.51289954
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  H     12.33849465      8.49435221    -12.84839619
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  H     14.85540534      9.34431453    -18.54413992
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  O     15.94996799      6.58182441     -9.33605327
  H     18.41575624     10.81353008    -11.32243090
  H     17.88653833      9.84232321     -9.40743886
  O     14.86654054      7.28230325    -14.22700679
  H     15.88975866      4.40672733    -13.70199711
  H     17.96074046     11.27012818     -8.81659880
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  O     16.88592565      8.41279774    -15.74459010
  H     13.78973022      4.50001829    -15.35975661
  H     16.96905319      9.19375506    -15.17370623
          69
 Energy    -249.50349158325616     
  O     -6.01576108      1.96015208     -0.18815834
  H     -5.18914886      2.45090030     -0.31100341
  H     -3.69054896     -1.07229075      3.20937434
  O     -4.38801073      2.55024743     -4.51452151
  H     -6.22684763      2.02790385      0.75070790
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  O     -6.17462285      2.02624615      2.62116387
  H     -4.25475636      1.58705422     -4.60016138
  H      1.64346915      1.61164157      3.19373582
  O     -1.24590851     -2.29754202      1.51390985
  H     -4.54859995      2.88449774     -5.39302907
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  H      0.14208060      3.61340874      0.14248387
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  H     -5.36946777      2.53279475      2.83098143
  H     -3.11650685      3.14017291     -1.27848570
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  O     -1.83131155     -0.16402811     -2.71819063
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  H     -7.12474198     -1.37931789     -3.60211535
  O     -2.22378000      2.58558373     -2.75062354
  H     -2.75865622     -0.42042379      0.04397669
  H     -6.58061788     -0.01744329     -3.10582062
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  H     -4.72134188     -0.56852472     -4.05451597
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  H     -5.40222772     -0.88390719      1.49570538
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  H     -5.81258134      0.13578705     -0.33758225
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  O     -3.62080614      3.25175119     -0.46126961
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  O     -6.39389862     -0.97365772     -3.14287635
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  H     -1.55400680      4.65452037      1.28075220
  O     -1.93034891      1.38843582      3.55691662
  H     -2.91540665      2.73416187     -3.40790683
  H     -2.34502275      5.97716467      1.42973652
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  H     -2.09764000      1.62502289     -2.70195550
  H     -5.95166712      2.15577584     -3.38657244
  O     -2.26385442      1.13989392      0.76837759
  H     -0.09979534     -0.96249924      1.08501149
  H     -6.55215349      1.91991913     -1.97547673
  O     -2.44973737      5.03454029      1.33438751
  H     -0.58381298      0.43673937      0.66764533
  H     -3.42945655      3.97939321      2.60716392
  O     -6.67247790      1.72296506     -2.91473860
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  H     -3.18986975      2.70990896      3.45252396
  O     -3.87221885      3.33567305      3.17108624
  H      0.72959339      0.11864412     -0.97019394
  H     -0.61100622      3.09957811     -2.13241209
  O      0.25591120      3.25976226     -1.72465824
  H     -3.06882710     -1.81329455      4.41488158
  H      0.72904904      3.84234836     -2.31531549
          69
 Energy    -249.50347318222026     
  O     14.77927123     12.31389220    -12.26874495
  H     15.60898688     11.82247591    -12.31616594
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  H     17.87670990      9.49602295     -9.06222857
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  H     10.63504361     10.04895666    -11.80025726
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  H     18.74231929      6.26705711     -7.28334627
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  H      9.83620097      8.25742185    -12.68136314
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  H     10.98845199      6.88572271    -10.22311549
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  H      9.92829453      7.97648378    -10.41953445
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  H     15.72733839     11.20783024     -9.24233071
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  H     13.44409535     11.94280413    -13.31143364
  O     11.77377001      8.78383006     -7.73788940
  H     14.05965782      8.66576548    -12.02906063
  H     12.48100799     12.42617749    -14.42058310
  O     15.55921966      4.50957154    -13.11246049
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  H     14.04844254      8.49133633     -9.69746662
  O     12.65929771     11.69613673    -13.83391404
  H     12.70328781      6.96145433    -11.37019159
  H     13.56932442      8.46932876     -8.23510280
  O     14.35653916      8.37499848     -8.78254218
  H     12.86863390      5.43462468    -11.13065790
  H     15.88440454      9.38330105    -12.94071367
  O     15.39197251      8.61348642    -13.25667948
  H     12.03276256     10.51601892     -8.51926855
  H     15.87457850      7.84675729    -12.92257163
          69
 Energy    -249.50333543786471     
  O     -1.21308837     -0.71795187      4.52493795
  H     -0.52422686     -0.06335251      4.69762783
  H     -2.42252818      0.94642246      0.70550842
  O     -0.42187505      2.13598478      7.33702353
  H     -1.01959956     -1.11562425      3.66496133
  H      2.16927177     -0.50125682      1.80708164
  O     -4.50700322     -1.54698543      0.61942988
  H     -0.02408700      2.31195092      8.18541045
  H      2.67405137     -1.71161978      0.98279455
  O     -5.32221404     -1.30840243      3.25860897
  H     -1.18067195      1.54761093      7.49997274
  H      1.07373712      2.24980428      0.56712936
  O     -4.09322640     -3.66945690      4.33015999
  H     -4.88750814     -1.41567174      1.50386286
  H      1.87718979      3.57219937      0.56612995
  O     -0.72931706     -1.65216198      1.97498172
  H     -5.24244112     -1.63947442      0.01844183
  H      0.14129626      3.21531150      2.43765976
  O     -2.82528923     -3.48814924      1.94430990
  H     -4.69385590     -0.59571845      3.46368220
  H     -1.36314582      2.89929515      2.60141210
  O     -3.04629503     -1.85196379      6.23016206
  H     -4.96864787     -2.11926467      3.64815892
  H     -0.43734255      0.59052157     -0.25431810
  O     -2.58728301      0.55114595      7.73030609
  H     -3.57829190     -3.69259420      3.50382138
  H      0.99274600      0.08953754      0.04166785
  O     -5.23738240      1.61588033      7.44604496
  H     -4.49392341     -4.52936409      4.42787524
  H     -1.25489508      3.43244105      6.20564314
  O     -5.64066593     -0.69687395      6.10828071
  H     -1.20379644     -1.01759196      1.41858306
  H     -1.29250197      3.83086126      4.71054512
  O     -2.17664662      0.08896982      0.32677225
  H      0.19993842     -1.61480423      1.71758418
  H      2.27599731      1.64998319      2.29876892
  O      1.89976815     -1.18916028      1.17152579
  H     -1.99316859     -2.99553129      1.96722722
  H      1.95415602      0.95713500      3.63668568
  O      1.44114697      2.94749464      1.13922763
  H     -3.40192702     -2.98193664      1.35998874
  H     -3.75112127      1.40622080      4.38123238
  O     -0.56653414      3.14640255      3.09059134
  H     -3.37289638     -2.60835256      5.72688999
  H     -2.69871742      0.25638612      4.14001638
  O      0.49371075      0.84216636     -0.29971750
  H     -2.32502827     -1.49062405      5.69152405
  H     -4.64724786      2.64071328      6.00696165
  O     -1.74883138      3.94549958      5.55457688
  H     -3.46027993      0.96156375      7.73302044
  H     -3.39768726      3.36434849      5.39070361
  O      2.47788356      0.86890298      2.82901450
  H     -2.70885352     -0.33719832      7.37441581
  H     -4.82816957      5.10815729      2.82325362
  O     -3.50532044      0.66926758      3.80536673
  H     -5.49241201      0.79918587      6.97905918
  H     -4.66912798      3.79336925      3.59967416
  O     -4.25892846      2.96470942      5.18660383
  H     -5.89009926      1.76112691      8.12537922
  H      0.38324143      1.61287757      5.75925601
  O     -4.71511989      4.16804430      2.70531977
  H     -5.86946082     -0.82210387      5.18258161
  H      0.16979639      1.96566644      4.25843151
  O      0.59619216      1.33550901      4.85938194
  H     -4.76511013     -1.09801323      6.20737501
  H     -3.11124800      1.67443195      2.41970923
  O     -2.88566151      2.33596145      1.74548427
  H     -2.98257293     -0.44049952      0.29861515
  H     -3.52111780      3.05371652      1.86978131
          69
 Energy    -249.50305958822281     
  O     15.42796956     12.14882817    -12.13203058
  H     16.15276766     11.63645711    -11.75317328
  H     13.43207288      6.36745723    -15.88597512
  O     17.45313344      9.28337302     -7.26688027
  H     14.90138142     12.45190431    -11.38187728
  H     11.23486619     10.78462980     -9.99092577
  O     16.32997114      6.07057708    -11.08353947
  H     16.74578196      9.85819044     -7.58604688
  H     11.68609435     11.18521396    -11.41009988
  O     18.76575817      6.33135003     -9.87544921
  H     18.14390837      9.31932657     -7.93828957
  H     15.60651308      8.70562772    -14.13364629
  O     17.03801398      6.53418049     -7.48266528
  H     15.75179145      6.16734655    -10.31281789
  H     14.77006092      9.78329774    -14.85298490
  O     17.16631726     10.41687422    -10.72218514
  H     15.80531320      5.65252786    -11.78203558
  H     19.15820560      8.09615709     -9.65791380
  O     13.90743943     12.80041388     -9.81305771
  H     19.29435314      5.55024480    -10.01978210
  H     20.24578942      9.17312105     -9.44927961
  O     10.40372579      7.41378642    -11.22609120
  H     17.93370903      6.19347084    -10.36008974
  H     15.43510599      6.29869714     -8.24212830
  O     15.37834522     10.71254566     -8.60542816
  H     17.13427238      7.47484304     -7.26927947
  H     14.23351842      7.16795426     -8.69648645
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  H     17.72126083      6.34941209     -8.13389509
  H     11.61765082      9.64576991    -13.48664153
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  H     17.98511236     10.04788975    -10.37043445
  H     12.69100775     10.78373577    -13.61106154
  O     13.30556213      6.80789740    -15.04902447
  H     16.55139075     10.48628277     -9.97656737
  H     11.77674310      7.51364803    -14.36518183
  O     11.64182694     11.49801062    -10.49607141
  H     13.07133651     12.34686145    -10.02466181
  H     10.29003608      7.79296172    -14.67125864
  O     15.03210416      8.85672346    -14.89874060
  H     13.67617519     13.67098043     -9.50060897
  H     10.48391130      8.57088018     -9.90135111
  O     19.30229022      9.04491378     -9.51303498
  H     11.09050270      6.75870083    -11.03371337
  H      9.84756103      9.10048287     -8.59701276
  O     14.66682727      6.31423567     -8.83205546
  H     10.50322898      7.61709791    -12.16193819
  H     13.79720343      5.26285794    -12.24637792
  O     12.04492922     10.37472902    -13.01999876
  H     14.93032041     11.51627045     -8.89618739
  H     14.15184486      5.68581991    -13.67444953
  O     10.98550097      7.97437786    -14.04288531
  H     14.69444623     10.02767054     -8.57389552
  H     14.65569730     11.76881864    -13.62297416
  O     10.61072608      9.19064465     -9.16147130
  H     14.54819195      8.59104119    -11.94374987
  H     14.23855334     12.26848522    -15.02646496
  O     14.48456433      5.18338831    -12.92366229
  H     13.12741530      9.22859455    -12.04774461
  H     13.53800056      8.79780340     -9.81481258
  O     14.16955567     11.52591376    -14.43271126
  H     13.04932554      6.88808701    -11.20933536
  H     12.45026815      8.92336064     -8.73625009
  O     13.39992569      8.81001705     -8.85348768
  H     13.29142272      5.87937056    -10.07390374
  H     16.65533219      9.16785223    -11.90269920
  O     16.29753061      8.47889848    -12.47905488
  H     13.93502759      7.55243786    -15.02864434
  H     16.40422925      7.63333218    -12.02364098
          69
 Energy    -249.50299583171142     
  O     15.13563917     12.52978860    -12.33406854
  H     15.75619638     13.04513021    -11.78867435
  H     14.41019415      8.95218613     -7.18471975
  O     18.33401694      7.21430969     -3.71480952
  H     14.61201942     13.15842539    -12.82337148
  H     19.51688596     11.04038627    -10.99085762
  O     16.62645508     13.13230467     -8.01000858
  H     17.37469750      7.19076563     -3.88390015
  H     18.35897318     11.32126549    -11.99977384
  O     15.64948470      7.37051351     -4.10890443
  H     18.57690347      6.35238678     -3.38815557
  H     19.98219615     11.38496711     -7.47512902
  O     13.52641545     10.12580292     -8.22928774
  H     16.74107277     12.25603412     -8.41491916
  H     20.11677855      9.90363349     -7.06596802
  O     19.05740426     12.95761682     -6.77253532
  H     15.75924880     13.11805289     -7.58894162
  H     16.83403053     13.75571944     -9.82614171
  O     20.59192896      9.68972707    -10.29800220
  H     15.34522350      7.62869659     -4.99016533
  H     17.75309644     13.19283321    -10.92969416
  O     17.45393628      8.38187020     -7.93556863
  H     15.33143349      8.05395557     -3.50773020
  H     18.16011939      8.86783344     -2.71969146
  O     15.30284834     10.80523957     -5.05309502
  H     13.64593091     11.01870670     -7.88865016
  H     18.08383464     10.35914962     -3.10351220
  O     14.70718379     10.22810002    -10.78072496
  H     13.80726226     10.14455619     -9.15411838
  H     17.02899651      8.13868335    -11.59469841
  O     14.16393144     12.60421882     -6.77393563
  H     18.20685927     13.11286768     -7.21667281
  H     16.03457656      7.51883295    -12.60254137
  O     15.03836293      8.51699170     -6.58981613
  H     19.51463896     13.79484754     -6.75318619
  H     16.16159213     10.55546590     -9.73323738
  O     18.78754391     11.63929081    -11.18934291
  H     21.50769225      9.50382463    -10.48748946
  H     17.64142740     10.99980014     -9.91725997
  O     20.37450838     10.54582240     -7.74031453
  H     20.55164498      9.98289446     -9.36960809
  H     18.42042731     11.91443847     -5.36603744
  O     16.99511225     13.77553558    -10.77714054
  H     18.08766796      8.48859595     -7.21441476
  H     17.10891483     11.18119002     -4.94378619
  O     17.87442955      9.73207969     -2.39761457
  H     17.34628951      9.25182029     -8.35236779
  H     19.02010202      8.22225419     -5.12875958
  O     16.26225294      8.33372033    -12.16302171
  H     15.13865326     10.53291475     -4.14129411
  H     18.78744917      9.71657423     -5.43345402
  O     16.98097552     10.74692172     -9.25740926
  H     15.24466708     10.00563825     -5.59832179
  H     19.16694461      8.41144109    -10.53050785
  O     18.06014069     11.24076940     -4.77739099
  H     14.73415309     11.01723245    -11.33865546
  H     18.06823629      7.84719294     -9.61312997
  O     19.16619414      8.90236668     -5.79714253
  H     15.12800637      9.51103299    -11.27449081
  H     16.12259049      9.73972144     -2.33597825
  O     18.37345757      7.86355052    -10.53075870
  H     14.53026235     12.01492858     -6.09175986
  H     14.74828762      9.81880917     -1.62641272
  O     15.15911329      9.71462583     -2.47990328
  H     13.45030129     13.08766149     -6.36506210
  H     16.48039952     11.37694513    -13.13750145
  O     17.22520265     10.77898920    -13.27712541
  H     15.84845288      8.35841377     -7.09437747
  H     16.91061101      9.90106348    -13.02595769
          69
 Energy    -249.50260281291133     
  O     15.25876288     11.89886000    -11.29280463
  H     15.81762609     11.76375638    -12.07056333
  H     18.72937914      8.67481483    -11.09913895
  O     14.96699986      7.10572626    -14.99149279
  H     15.69045316     11.43094434    -10.56893602
  H     16.92509426      8.06847892    -12.64801184
  O     15.13748809      5.55892553    -10.71507038
  H     15.09131008      6.24142768    -14.57815402
  H     15.72465551      8.08649456    -13.64550863
  O     18.42736045      7.20699024    -12.16763798
  H     14.05969552      7.38091657    -14.79925535
  H     13.61798337     11.69313689    -11.78727294
  O     15.49761237     11.17404996    -16.02608034
  H     15.09212453      6.50356152    -10.51285904
  H     12.19782517     12.30000541    -11.88552728
  O     10.95225311      6.47935454    -11.15640652
  H     14.28938337      5.16712787    -10.46997603
  H     13.53345776      4.08044264    -13.39356191
  O     12.45942202      7.94680918    -14.15530236
  H     18.80227745      7.41534047    -13.04011598
  H     12.60116913      3.94032366    -12.17597747
  O     14.96387633      8.31105911    -10.42921572
  H     18.29639107      6.25765560    -12.08407651
  H     12.99053801     10.99926819    -13.93103791
  O     19.19823745      8.29902113    -14.51803978
  H     14.62948169     10.96490750    -15.63602057
  H     12.83689377      9.69502855    -14.73402590
  O     10.75293030      5.73017693    -13.92703075
  H     15.33187746     11.74561263    -16.77061594
  H     17.97151106      3.86909411    -11.09972726
  O     16.97700660      8.67510452    -16.18776269
  H     11.37090051      7.35111679    -11.17831703
  H     16.78868511      4.85721400    -11.17393912
  O     18.77659150      9.57707629    -10.75286345
  H     10.71149437      6.27512370    -12.06818779
  H     16.16834797      4.46634600    -13.29128254
  O     16.09949577      8.52308864    -12.87092114
  H     12.49791026      8.21569983    -13.22624147
  H     15.07949352      5.21651260    -12.54895657
  O     12.71458922     11.53238360    -12.11507416
  H     11.81533371      7.23040967    -14.20552350
  H     11.97305859      5.21853366    -10.54596863
  O     12.61722786      3.91112247    -13.14082339
  H     15.32011198      8.42637294    -11.32676344
  H     12.16996846      3.99814230     -9.61495833
  O     13.15547056     10.60438695    -14.79567891
  H     15.44477187      8.93748477     -9.87665854
  H     19.92313924     11.68133950    -13.45759289
  O     17.58654154      4.55510377    -11.63960077
  H     18.47899178      8.42075345    -15.15567557
  H     18.50382703     11.07672813    -13.35595177
  O     15.28488383      4.82423541    -13.41180631
  H     19.41918001      9.17676731    -14.18670598
  H     12.42798184      9.76478218    -11.64091391
  O     12.58062850      4.49044548    -10.32052372
  H     11.40241647      5.03311285    -13.72482632
  H     13.28585943      8.63304909    -11.02141332
  O     19.44707754     10.89562684    -13.20183378
  H     10.06981414      5.32672997    -14.45541084
  H     16.88010800     10.57841188     -8.45184340
  O     12.45508807      8.81263775    -11.48367742
  H     16.28760152      8.04406845    -15.94071969
  H     17.40888048     10.05963912     -9.80908342
  O     16.60120176     10.30435423     -9.32110610
  H     16.53147580      9.52813786    -16.23497900
  H     16.37040195     11.28027414    -14.41535892
  O     16.74219773     11.12988016    -13.53741591
  H     19.12264807     10.10664601    -11.48079884
  H     16.52340164     10.21415858    -13.30197073
          69
 Energy    -249.50189318874840     
  O     14.74668497      9.14469635    -10.16909877
  H     14.84575126      9.97537430    -10.65350467
  H     15.15505992      4.19794245    -13.13169363
  O     14.22941504     12.12500763    -15.33812674
  H     15.51678230      9.01871673     -9.60104876
  H     12.08329745      7.69194931    -10.86779086
  O     17.53838189     10.42729446    -12.79045764
  H     14.45543869     12.76351726    -14.65017451
  H     13.21559603      8.19140305     -9.95396491
  O     12.23550003      5.84974311    -13.95375256
  H     13.71645862     11.43490038    -14.89901666
  H     19.62890065      6.88177116    -14.88002367
  O     16.58590292      5.81964387     -9.42164422
  H     17.94723639      9.82160663    -12.15561943
  H     18.32863533      7.69816483    -14.88669701
  O     17.64720028     12.83970894    -14.21528401
  H     16.64995123     10.63390743    -12.47305910
  H     16.17655603     13.50980459    -13.53329149
  O     15.12537447      7.27614585    -12.24467167
  H     12.64312695      5.34939192    -13.23171920
  H     15.28721999     14.63553440    -12.94976189
  O     14.94203431     11.18708084    -11.99582595
  H     12.85122491      5.76975109    -14.68968202
  H     12.50212545      9.44893897    -13.37238213
  O     17.56899747      6.04103391    -12.19417093
  H     15.65849430      5.55138202     -9.40836805
  H     13.75291676      9.36032474    -14.27522944
  O     18.49740809      8.56162489    -11.04211929
  H     16.92939890      5.64973440    -10.30580505
  H     16.56005235     11.89042104    -17.48561792
  O     14.51338310      5.56382558    -15.74929592
  H     17.44168104     12.50205712    -15.09533710
  H     15.71062788     11.73452545    -16.20348922
  O     15.86585851      4.22838201    -13.78906811
  H     17.80853880     12.05703332    -13.66884157
  H     10.45106955      8.14205545    -12.71590702
  O     12.50443027      7.53668276    -10.01520945
  H     14.97602116      7.94586519    -11.56675492
  H     11.67187949      7.30730365    -13.15921148
  O     18.73599002      6.88887740    -14.54243826
  H     15.00317592      7.66989601    -13.11735220
  H     13.33478202      4.89708817     -8.44151964
  O     15.28804827     13.71306571    -13.18877989
  H     14.29902141     10.78039020    -12.59596739
  H     13.26566578      6.06294632     -9.45664850
  O     13.18842672      9.98247500    -13.78976030
  H     15.00852723     12.11553911    -12.24863135
  H     14.26287656      5.70401292    -12.07224219
  O     16.58941243     11.56766364    -16.58896441
  H     16.71962663      6.51174789    -12.22824364
  H     13.73929312      4.72451157    -11.01053247
  O     11.40233816      8.09438580    -12.65347709
  H     18.04985533      6.27806611    -13.00226573
  H     15.78989659      8.49765586    -15.08729065
  O     13.75924987      5.25802535     -9.21492454
  H     18.34108236      7.67241784    -11.37928030
  H     14.79349276      7.30295562    -15.28504547
  O     13.86654375      4.82345302    -11.95984306
  H     18.09191510      8.58374905    -10.16674930
  H     16.85666633      7.43439492     -8.84290765
  O     14.90655233      8.16943281    -14.87376839
  H     14.56374023      5.09702668    -16.57899233
  H     17.26623168      8.44224571     -7.73924492
  O     16.97946240      8.38148438     -8.64611270
  H     15.04628540      5.05709697    -15.11125444
  H     17.22313320      9.97759369    -15.85071905
  O     17.42488481      9.24654701    -15.25389138
  H     16.60395435      4.65015129    -13.33769502
  H     17.50984870      9.63532745    -14.36791309
          69
 Energy    -249.50156215159325     
  O     10.63444544      9.46982678     -9.36298963
  H     11.33787007      9.57562534     -8.70950428
  H     10.55800930     11.41784257    -11.89580728
  O     13.48378827      8.76819792    -16.80317014
  H     10.79166620      8.62353507     -9.79811367
  H     12.87940776     13.24130212    -13.68040985
  O     11.40893643      7.17182816    -10.83180043
  H     13.98876022      8.65452109    -17.60388435
  H     13.62615387     11.95530428    -14.10682773
  O     13.89723590      8.29687117    -14.05884677
  H     13.14689653      9.68229050    -16.81361631
  H     14.05518709     14.41104488    -12.03139953
  O     12.80433166     12.64829842     -7.94843339
  H     12.33488280      7.46311656    -10.89767005
  H     12.60409502     14.36100991    -11.49755536
  O     12.35562267     11.24761304    -16.76071245
  H     11.42402534      6.24435004    -10.60932408
  H     13.74931881      9.18419832    -11.07637909
  O     11.17988406      8.26481284    -13.43680919
  H     12.95671722      8.26945023    -13.82654118
  H     14.12693036      8.11707191    -12.13727448
  O     15.13255178      8.91935566     -8.77082903
  H     13.91474116      8.35237661    -15.02284720
  H     16.41803452     11.50574979    -12.68908226
  O     13.52280801     10.97257442    -10.99458679
  H     12.25170688     13.19489081     -8.51812919
  H     17.15439198     11.41695156    -11.33049987
  O     12.76111223      9.96898421     -7.52289987
  H     13.70128290     12.74461828     -8.30222209
  H     11.39562134     11.51925760    -13.86678461
  O     15.88331941     14.31939268    -11.48670199
  H     11.40034606     11.11977163    -16.72015385
  H     10.11716183     10.90074644    -14.48366344
  O     10.77704450     11.64183612    -10.98232965
  H     12.57358639     11.82373872    -16.01545558
  H     15.89209682     12.03734974     -9.31286405
  O     12.85012685     12.49904596    -14.30118910
  H     11.07532919      7.89105749    -12.55524910
  H     15.39542818     13.34048180     -9.99771838
  O     13.13085186     14.36530169    -12.30464574
  H     10.96315211      9.20754389    -13.39934209
  H     14.63061214      9.94390568    -13.70646093
  O     13.90858905      8.23455674    -11.20522743
  H     14.35229118      9.26326366     -8.31738583
  H     14.39889119     10.94759887    -12.54981192
  O     17.06187982     11.95686488    -12.12416783
  H     14.80513972      8.47945043     -9.56602806
  H      9.93295001      9.57900204    -16.30338664
  O     10.61168780     10.98761237    -13.65969785
  H     14.01125511     11.54613244    -10.39251868
  H      8.81229559     10.54268194    -16.76421611
  O     15.15433072     12.65911726     -9.35706728
  H     12.59918116     11.25104400    -10.98585464
  H     17.89673389     10.44820584     -9.05220272
  O     14.86227603     10.82761577    -13.39443845
  H     12.61542136      9.81406758     -6.59242574
  H     16.43702033      9.98272882     -9.24593979
  O      9.61691695     10.49914183    -16.25531404
  H     12.74228248     10.93510321     -7.64594312
  H     11.07481444     13.23435108    -10.35866615
  O     17.09274352     10.64567106     -9.52575816
  H     16.35752288     13.52624033    -11.79512341
  H     10.63235373     14.64731239     -9.91210841
  O     11.39526258     14.08068135     -9.99781404
  H     16.47180606     15.05885740    -11.61325186
  H     10.82455655      7.92544123    -15.23638533
  O     10.75838366      8.02640946    -16.19671547
  H     10.59673352     10.87747755    -10.41323748
  H     11.66615854      8.12530634    -16.50888299
          69
 Energy    -249.50142356456402     
  O      3.03138445     -2.50137469     -2.66131713
  H      3.31198316     -1.89490487     -1.95628090
  H     -0.84009806     -6.41644806     -0.26154111
  O     -2.83134494     -2.67086076      0.52207068
  H      2.53147645     -2.00244111     -3.31649362
  H      3.14081097     -4.31491507     -2.38408085
  O     -0.47133040     -0.50240409      2.29070467
  H     -1.94813896     -2.90598880      0.83003017
  H      2.01392646     -5.36300751     -2.41523377
  O      2.81737813      1.33635040      0.97996613
  H     -3.13622010     -3.40208800     -0.03730052
  H     -2.75610496     -5.34295446     -1.25762133
  O      0.60535253     -2.78162196     -1.25227423
  H     -0.26580770      0.07903373      1.54203987
  H     -3.29677092     -4.20553768     -2.16999094
  O      2.71849582     -2.94229875      1.63445375
  H     -1.41968971     -0.42489302      2.44549418
  H      1.05420237      1.35079636      0.36067450
  O     -2.72738663      1.28089841     -0.07362129
  H      2.70025511      0.76443170      1.75975905
  H      0.14072243      0.68712063     -0.70833869
  O     -0.62326760     -3.26128356     -4.65745825
  H      3.41781950      2.03146932      1.23570081
  H     -0.39942308     -5.75297003     -2.25152961
  O     -3.29805508     -0.49129590      2.14482873
  H      0.27451839     -1.91761741     -1.52927129
  H      0.19771323     -4.32810555     -2.17396683
  O      3.08843321     -5.54549422      0.59134225
  H      1.51336101     -2.81960408     -1.58042801
  H      1.37158295     -0.90266500     -5.34585111
  O     -0.13027632     -3.05025663      1.32686480
  H      1.75461798     -2.99228626      1.62588908
  H      0.53673093     -1.98026524     -4.61078017
  O     -1.42610122     -6.66424706     -0.99930475
  H      3.01258957     -3.81778026      1.35260474
  H      0.03518888     -4.93253653      1.25836325
  O      2.90646834     -5.20441406     -2.08290776
  H     -3.00566829      0.84365186      0.74058857
  H      1.21634441     -5.83541408      0.86517768
  O     -3.37168530     -4.60020270     -1.29387698
  H     -1.78134251      1.44850924      0.02770045
  H     -2.90473978     -0.05763551     -1.28312674
  O      0.13659207      1.14016233      0.14785075
  H     -0.32718812     -4.02281936     -4.13968054
  H     -2.78402191     -1.55996487     -0.97489982
  O      0.14656406     -5.11953630     -2.73169949
  H     -1.54315123     -3.11960254     -4.40403815
  H     -3.15927569     -2.10063637     -3.01395467
  O      1.15852065     -1.24061179     -4.48026796
  H     -3.26795517     -1.29425953      1.59725008
  H     -4.05579677     -2.71445366     -4.11008699
  O      0.25568464     -5.82275533      0.95706468
  H     -4.04875144     -0.58264154      2.72611669
  H      0.25261949     -0.48016203     -3.05905558
  O     -2.80786231     -0.92478857     -1.70397165
  H      3.06911028     -5.44279158     -0.37732458
  H     -1.08794607     -0.48078623     -2.22703968
  O     -3.24624978     -2.85255262     -3.62309866
  H      3.75976918     -6.19475767      0.78401264
  H      2.58618443     -1.32054069      2.69647383
  O     -0.14125482     -0.28444929     -2.19923538
  H      0.14578965     -2.95423471      0.39799719
  H      1.32695890     -0.46641333      2.96679594
  O      2.29313584     -0.44377311      2.97543721
  H     -0.22808925     -2.16707606      1.71235620
  H      3.34865946     -0.21241749     -0.04945472
  O      3.53064053     -1.08925652     -0.40267015
  H     -1.61034012     -7.59487347     -0.90422687
  H      3.31759159     -1.71180679      0.30477045
          69
 Energy    -249.50093783305252     
  O      9.94245996      7.09241835    -10.27808067
  H     10.72151265      7.62566267    -10.48458981
  H     11.69148305      4.40357340    -10.47291714
  O     12.13046420      8.73280313    -10.70398421
  H      9.25473123      7.70278202     -9.98422912
  H     14.35420656      4.62677315     -7.80893308
  O     12.02468286      7.13275311    -14.12128410
  H     12.75868880      8.10676421    -11.09276378
  H     14.71609856      4.39367262     -6.32220411
  O      9.62463314      9.71237585     -7.63619233
  H     12.28697661      8.75619434     -9.75124863
  H      7.55493661      9.70119010    -13.21575896
  O      6.49697287      4.98549157    -11.07645769
  H     11.55287461      6.29591772    -14.05078589
  H      8.97011455      9.22567336    -12.80456454
  O      7.00585564      5.70857609     -6.84079120
  H     12.74118017      7.07035323    -13.47493054
  H     11.25439142      5.43125171     -7.76705990
  O     14.59085309      4.21221376     -9.49298682
  H      9.04495652      9.56768884     -8.40212675
  H     12.51123306      5.59762889     -6.87481043
  O     13.69299408      6.76796989    -11.85711590
  H      9.38274927     10.55995909     -7.26991227
  H      9.62136319      4.23606549     -9.02731462
  O      7.88468344      3.84477093     -8.81628234
  H      5.86168000      4.58909722    -11.66786570
  H     10.26712823      5.55150066     -9.53700225
  O     15.97036934      6.61203331    -10.25365781
  H      7.17551765      5.40164950    -11.63116566
  H      9.07924597      6.48534247    -11.69539643
  O     10.65382900      9.29522786    -13.01698717
  H      7.80109804      6.22634783     -6.62104982
  H      8.20742124      7.19107498    -12.73264961
  O     12.31266472      4.41149945    -11.21697042
  H      6.56130897      5.52733316     -6.01714985
  H     10.06793625      6.72566447     -6.44667125
  O     14.25697812      4.98791632     -6.90929631
  H     15.15542424      4.91571168     -9.83791584
  H      9.32386565      8.05832473     -6.68441715
  O      8.01591132      9.09863460    -12.63901513
  H     13.85959034      4.12239704    -10.11627893
  H     12.03050170      7.66641580     -7.66013171
  O     11.64615047      5.97711998     -7.06913433
  H     13.23570585      5.95261566    -11.60558867
  H     11.42838382      9.08196863     -7.78574127
  O     10.47121973      4.67029627     -9.18364125
  H     14.55428144      6.75392687    -11.42241907
  H      6.38804965      6.66400758     -8.32282954
  O      8.50377513      6.31454191    -12.45898623
  H      7.56564970      4.39486311     -8.08872263
  H      6.18223931      6.40458095     -9.82558764
  O      9.21713181      7.16931464     -6.32882156
  H      7.37981216      4.11838753     -9.59115902
  H     10.24039565      4.07010625    -14.11114715
  O     12.23535243      8.57401160     -7.93118849
  H     15.63422474      7.03836995     -9.44470956
  H      9.77390523      5.22695261    -13.20107126
  O      6.20177205      7.10453187     -9.16245388
  H     16.88754893      6.85770819    -10.33577582
  H      7.29329437      8.42164964     -9.52976591
  O     10.54903272      4.71194654    -13.47539683
  H     11.16644680      9.33205622    -12.19923343
  H      7.95720037      9.17950414    -10.72385722
  O      8.01251697      9.02817889     -9.77264447
  H     11.07863089      8.60478949    -13.54608850
  H     14.08870318      8.08660414     -7.90034930
  O     14.90882615      7.58033702     -7.94861285
  H     11.77330089      4.38023300    -12.01552330
  H     14.74756870      6.76430267     -7.45747384
          69
 Energy    -249.50085674691664     
  O     -0.95716452      3.82441972      2.61956182
  H     -0.43347611      3.01636479      2.51428127
  H     -0.58011389      8.45797089      0.51607293
  O     -2.84046653      5.99837112     -0.42197415
  H     -1.77859893      3.69001635      2.12817284
  H      1.30165081      1.97696258      1.44239525
  O      4.52616748      6.62023569      0.52506051
  H     -2.02075899      5.91176882     -0.93116880
  H     -0.08847507      1.45210240      1.06271547
  O      2.14486818      7.54625331      1.67195197
  H     -2.65348854      6.63082502      0.28244688
  H     -1.05478128      2.94346478     -3.21260395
  O     -0.40468550      5.61860140     -1.65097348
  H      5.36361885      7.01558921      0.29945431
  H     -0.35227517      4.02590533     -2.35822267
  O      2.51543387      3.12284191      0.52510944
  H      4.10835997      6.35016533     -0.31263390
  H      0.79206220      8.22052324     -1.49164171
  O      0.69718760      5.20299671      0.79230685
  H      2.18098496      7.26621360      2.59529133
  H      1.09245089      8.53753397     -2.97757266
  O     -1.98480967      7.75157169      1.63524494
  H      3.00142635      7.32901971      1.28033220
  H     -3.26516603      1.36948786     -2.72816903
  O     -1.25272971      1.69356595     -0.41901136
  H      0.00564997      5.46641801     -0.78334195
  H     -2.67698058      0.91203728     -1.38667583
  O     -0.63658344      6.36853927      3.57671736
  H      0.03726770      6.38310446     -2.03833610
  H     -4.76260234      3.82014573     -1.72784283
  O     -3.03770884      3.51237534      0.81735436
  H      1.89447162      3.86446382      0.60431253
  H     -3.91042835      5.10396902     -1.72677684
  O      0.23645021      8.70673309      0.06916607
  H      2.64837877      3.00893888     -0.42122856
  H     -3.31133526      3.46213819     -3.38810624
  O      0.48631855      1.62421632      1.82110780
  H      0.12025440      4.82643781      1.47039800
  H     -3.09277306      2.90309982     -4.81278550
  O     -0.27055547      3.11202233     -2.67632659
  H      1.11990829      5.99301271      1.14812702
  H      1.52094525      3.12430078     -2.52062186
  O      1.10535801      7.83670877     -2.33190176
  H     -1.49409898      7.28284663      2.33280364
  H      2.93334984      2.71037115     -2.98211113
  O     -3.46746113      0.84922116     -1.94107753
  H     -2.55082234      8.37687911      2.08205116
  H      2.74932151      5.56616256      3.60689882
  O     -4.29728720      4.43685640     -2.30739010
  H     -0.82364336      2.14561110     -1.15674870
  H      2.58421842      6.24433855      4.98394816
  O     -2.78222913      2.83537456     -3.91375678
  H     -1.83099774      2.34324705      0.00591578
  H      4.19660099      5.30266139      1.88100544
  O      2.46796317      3.24626743     -2.34392830
  H     -0.84916197      5.43624339      3.41727102
  H      3.45203867      3.96933422      1.92806913
  O      2.20358778      6.19617628      4.11099235
  H      0.28356711      6.36980725      3.86133424
  H     -6.04753406      1.93126836     -0.33007384
  O      3.79752982      4.67205937      2.49371630
  H     -3.86063013      3.10791304      0.51839086
  H     -4.68160849      1.73895675     -1.03345910
  O     -5.23183031      2.37573760     -0.54264398
  H     -2.99384915      4.38739585      0.40596596
  H      2.94146376      5.09229043     -2.00476463
  O      3.22952122      5.97848058     -1.75765795
  H      0.94742533      8.44251174      0.67222707
  H      2.53262736      6.59206221     -2.01938994
          69
 Energy    -249.50038936658262     
  O     12.29924105     10.78317240    -16.23148319
  H     11.70100623     10.23656546    -15.69620980
  H     18.12606291      9.87450965    -12.93037632
  O     15.47249965      7.96872699    -13.06571647
  H     12.38203330     11.64509210    -15.80665376
  H     16.72045361     10.81377123    -16.33555905
  O     15.35567996     12.05404981    -11.54329562
  H     15.08002737      8.56631377    -13.72298635
  H     17.49708017     10.79231107    -14.97301776
  O     15.63776890     13.33500446    -13.98613669
  H     15.96900516      8.53430496    -12.46145894
  H     13.78489665     10.06556206    -15.31621052
  O     13.79802604      7.22910392    -16.94044800
  H     14.48319660     11.71998976    -11.80239720
  H     15.26806860     10.39458728    -14.95503502
  O     12.09130987      9.60970469     -9.12859481
  H     15.61339799     12.63138933    -12.27536056
  H     10.86349744      9.17171520    -13.67444280
  O     13.05094677      6.91309529    -12.37177603
  H     16.10035451     12.71710436    -14.56945524
  H     11.20287962      8.18145878    -14.79914461
  O     13.03785922     11.15012771    -12.68499389
  H     14.73664583     13.38525606    -14.32158582
  H     16.61714628      8.14868282     -8.46316383
  O     17.65120399      7.39034578    -14.72209837
  H     13.62648202      7.99712389    -17.49789450
  H     15.36496495      8.08284984     -9.36811456
  O     13.79970423      7.36432269     -9.66928936
  H     14.75195623      7.08948145    -16.98270735
  H     11.58293078      5.74240094    -15.33107388
  O     16.62507835      7.08144246    -17.19945958
  H     11.60026351      9.82243186     -8.33934207
  H     12.71201344      6.73734723    -15.67670139
  O     18.64453937      9.89887350    -13.75241306
  H     12.89504421     10.15901234     -9.11383804
  H     16.45507046     10.62403167    -11.55624880
  O     16.78422816     11.22387511    -15.45872791
  H     12.67807620      6.63291180    -13.21632937
  H     16.84302376      9.38310817    -10.69949016
  O     14.48058180      9.91169605    -14.66780563
  H     13.94829615      7.22223936    -12.57322360
  H     15.12124322     10.21393769     -8.99542585
  O     10.88397893      9.07810627    -14.63420118
  H     12.41528545     10.50245398    -12.33497865
  H     14.81299261     11.48600793     -9.80557767
  O     16.16887067      8.59792883     -9.17470060
  H     13.58326281     10.68476768    -13.33909336
  H     15.37698050      9.88892964    -18.07278246
  O     12.06008054      6.49674349    -14.99438145
  H     16.88661319      7.38990339    -14.12968429
  H     16.48620400      8.91953016    -17.64280695
  O     16.98180185      9.81065757    -11.55418439
  H     18.14831232      8.18126632    -14.48408341
  H     11.47629202      9.28859326    -10.86469893
  O     14.47983026     10.92882372     -9.09096694
  H     13.52076224      7.03314013    -10.53212144
  H     11.95356932      8.32841562    -11.98292050
  O     16.29490790      9.85641675    -17.77812458
  H     13.13945841      8.01910336     -9.40994038
  H     12.74447419     12.48695659    -13.84100209
  O     11.40312314      9.10723968    -11.81021711
  H     17.03465496      7.15571911    -16.31950856
  H     12.16864728     13.81563694    -14.38016884
  O     12.73431405     13.08216601    -14.61040549
  H     17.12535541      6.42719764    -17.67982687
  H     13.03625856      9.86476129    -19.22086469
  O     13.48803940      9.67489699    -18.40266590
  H     19.51503189     10.21096768    -13.51737689
  H     13.00205404     10.14063901    -17.70042488
          69
 Energy    -249.50030474147667     
  O     13.18090451      9.53353690    -16.70639914
  H     12.99846297      9.52223173    -15.74904650
  H     16.79508880      4.39571884    -15.12359913
  O     16.61498606      6.29354996    -12.62604062
  H     12.39166622      9.85660263    -17.13243715
  H     19.73186387      8.64741294    -13.19409725
  O     19.12995348     10.41694463    -13.63779316
  H     16.60727536      6.91334196    -13.37252844
  H     19.54065026      7.55861468    -12.12928971
  O     19.94221987      9.74452406    -16.21814194
  H     16.57497676      5.41821213    -13.02716067
  H     16.98649715      9.81712055    -17.63215608
  O     13.80233951      5.36679643    -14.71296079
  H     18.18710824     10.51126075    -13.84737656
  H     18.47413635      9.45677611    -17.44336986
  O     16.24078874     10.83207864     -9.95764381
  H     19.19385456     10.57777707    -12.68914397
  H     15.95062598      7.57505610    -15.50237076
  O     14.47991568      7.39480443    -11.26757990
  H     19.71264123     10.06646204    -15.33147454
  H     17.49337309      7.57313070    -15.22303635
  O     16.44413793     10.44655579    -14.16645735
  H     20.74616444     10.19383074    -16.46811594
  H     13.29895279      9.80391106    -13.39337155
  O     17.65454883      5.05648491    -16.49838062
  H     14.59397664      4.84155425    -14.55265633
  H     12.51928262      8.50572827    -13.68871444
  O     15.91052458      8.10905265     -9.03190894
  H     14.01034221      5.93181813    -15.47103977
  H     17.50161284      7.74812303    -10.01798033
  O     19.28542379      7.06747704    -15.51919906
  H     16.12613503      9.99276944     -9.49435623
  H     17.67369461      7.12969429    -11.41412434
  O     16.33465310      4.06807512    -14.33006602
  H     17.16003791     10.84116362    -10.24953411
  H     11.48739550      6.34284734    -12.83625070
  O     19.98390238      7.74260190    -12.96349009
  H     13.65873768      7.15369603    -11.71380855
  H     12.84428932      6.21919715    -13.57233754
  O     17.68163422      9.20984481    -17.92958938
  H     15.19329486      6.94179421    -11.74148823
  H     18.69370744      9.37705174    -10.81144806
  O     16.63254576      7.82925294    -14.86798408
  H     16.49163413      9.51977881    -14.45295145
  H     19.68662145     10.38957498    -10.20283264
  O     12.73403716      9.37463685    -14.04832367
  H     15.80870861     10.46515451    -13.44069474
  H     17.06495999      7.66522629    -18.36359237
  O     18.13504789      7.65089994    -10.73977621
  H     17.28411425      5.51323507    -17.26192793
  H     16.70350412      6.68445557    -19.50406205
  O     12.34003593      6.75747087    -12.93432501
  H     18.36692929      5.63168139    -16.18319666
  H     15.09528240     10.55166003    -11.35472022
  O     18.95778173     10.31235712    -10.81505253
  H     15.55132259      7.76450890     -8.21829797
  H     14.57537400      9.18884958    -11.84244035
  O     16.64536147      6.80688582    -18.56068778
  H     15.30520088      7.83577299     -9.74263033
  H     15.96599635     10.89226597    -15.92821206
  O     14.61860821     10.12432542    -12.08015574
  H     19.60522897      7.87740016    -15.93298621
  H     14.82873877     10.48276343    -16.87649299
  O     15.72645489     10.83436389    -16.86291211
  H     19.58341893      7.10917967    -14.59768924
  H     14.10862069      7.94956830    -16.81204015
  O     14.61321449      7.13479469    -16.68881171
  H     16.50269240      3.13049498    -14.28856427
  H     15.19626785      7.01378819    -17.44939159
          69
 Energy    -249.50025616131043     
  O     17.39750375     10.46970550    -14.38608102
  H     17.74638728      9.76845061    -14.94972717
  H     15.23650804     10.02666895     -7.62779314
  O     14.67517013      5.72557691    -10.35945138
  H     16.49333374     10.67539222    -14.66069398
  H     14.39942025      6.91305868    -16.87986614
  O     18.51152640     12.26540982    -12.70988964
  H     14.66027653      4.80575562    -10.11035111
  H     14.74882798      5.61490071    -17.64541212
  O     13.05054108      7.93216510     -9.58680271
  H     15.40869663      6.13988170     -9.86774742
  H     15.62852876      7.80093456    -12.47577448
  O     14.76929092     11.11280237    -14.82359637
  H     19.04453147     12.93132463    -13.13961466
  H     14.91698704      6.49605360    -12.02201354
  O     18.41774992      8.37256377    -15.83446056
  H     18.20772287     11.65947833    -13.40988952
  H     16.11802340      7.82575833    -17.77901256
  O     20.71255963      8.26047270    -14.25091400
  H     13.47563139      7.10774725     -9.85317849
  H     17.31723574      8.66248620    -17.31079392
  O     16.81462284      6.32702814    -14.84740950
  H     13.69622877      8.39459437     -9.03773172
  H     15.32851290      9.91751142    -17.71559807
  O     12.19396274      9.75926590    -11.37971719
  H     14.65653579     11.05064639    -15.78113931
  H     14.42510292     10.99465202    -18.36247129
  O     15.60620261     12.68986071    -12.54153432
  H     14.26150582     10.38449387    -14.43827546
  H     16.84193362      9.69318176    -12.81795038
  O     14.68223188     10.93996873    -10.68555588
  H     19.28615951      8.33188703    -15.41412892
  H     15.90380048      9.87284998    -11.57738151
  O     15.15847688      9.48055433     -8.40618228
  H     17.89096577      7.64201508    -15.47564829
  H     19.63564240     10.68852820    -12.13046855
  O     15.12821702      6.31158630    -17.11644911
  H     20.55122783      8.87905967    -13.51650922
  H     19.68912145      9.25914613    -11.53007816
  O     15.10494514      7.04706352    -12.79103694
  H     21.65833867      8.19824869    -14.35409516
  H     17.83172598      8.40086331    -11.21128121
  O     16.54626321      8.68346072    -17.89297917
  H     16.27364435      6.18550164    -15.63437162
  H     18.76439542      7.20231240    -11.51131772
  O     14.57588027     10.51475845    -17.55272977
  H     16.19593402      6.52263906    -14.12890929
  H     13.90335359      8.20583949    -13.49499486
  O     16.50030632      9.26099096    -12.02467002
  H     12.41766375      9.05097734    -10.74842529
  H     12.82371660      9.21703711    -13.04054374
  O     20.14271997      9.87079335    -12.12676005
  H     11.31350471     10.05535817    -11.16468961
  H     18.33153501      6.08463010    -13.64397054
  O     18.57278975      7.88752099    -10.85309466
  H     16.57042496     12.66774453    -12.55179694
  H     19.69264278      6.78716625    -13.48199572
  O     13.33355481      8.92448417    -13.80529005
  H     15.30497134     12.30871718    -13.37684225
  H     17.39599584      7.29611293     -9.55040553
  O     19.05563029      6.22626229    -13.02261005
  H     13.80227863     10.65820385    -10.96495931
  H     16.22318785      7.92184048     -8.75528401
  O     16.59941013      7.08225249     -9.04560160
  H     14.95413531     11.67765906    -11.25254196
  H     13.54313292      8.99441104    -16.93293689
  O     13.24631456      8.17880756    -16.51158415
  H     15.05793631     10.08453146     -9.16084355
  H     13.13126164      8.39415572    -15.57635983
          69
 Energy    -249.50023103234997     
  O     11.61288133      7.46490895    -14.70306681
  H     11.78731856      8.23074982    -14.13798743
  H     19.34678729      7.17102292    -12.43961744
  O     15.77861454      6.34499582    -11.42487120
  H     11.59617008      6.71008420    -14.10304665
  H     18.75841643      9.92261971    -15.26792940
  O     17.48341141     10.36053220    -11.02013460
  H     16.01583422      7.15838689    -11.90049786
  H     17.96513753     11.06956283    -14.60676398
  O     18.69627095      8.45373677    -16.47503832
  H     16.45531987      6.22988824    -10.74868056
  H     15.94249595      8.88861101    -13.49655515
  O     13.16740731     11.26636365    -11.02416462
  H     18.41394434     10.45819978    -11.25030162
  H     17.26698803      8.06131966    -13.34960438
  O     13.19969625      7.24212201    -10.95343329
  H     17.12848847      9.71564768    -11.65180989
  H     16.79392085      9.50467065     -9.56480052
  O     16.25144541     11.83235255    -14.74734822
  H     19.28299787      8.45190082    -17.22727881
  H     16.88370119      8.06077844     -9.05347593
  O     17.06578058      4.71298582    -15.09006715
  H     17.90679020      7.94887171    -16.73924634
  H     11.44604494      4.83984581    -12.29370401
  O     13.69206154      9.19764735     -9.01748194
  H     13.99631571     11.68508346    -11.30200683
  H     12.37635447      6.03972077    -12.00968822
  O     18.54933781      6.93317796    -14.10885096
  H     13.38244552     10.69065358    -10.28218318
  H     19.63314451     10.36996574    -13.04360491
  O     14.74681287      5.18725257    -13.69237349
  H     14.10127250      6.89858355    -11.03462557
  H     20.81632568     10.80137202    -12.14634216
  O     19.60347628      7.47591527    -11.55915735
  H     13.22521829      7.88627659    -10.23365224
  H     18.42521406      5.98900834     -9.03670953
  O     18.79433502     10.57673703    -14.56067495
  H     15.65893592     11.06207020    -14.78246888
  H     18.55517780      6.88172504    -10.29122690
  O     16.55582789      8.49738457    -12.86256830
  H     15.93189101     12.45217789    -15.39884707
  H     15.82359960     12.23678899    -12.87563763
  O     16.38135033      8.87646242     -8.95465890
  H     17.26933771      3.78529505    -15.18024148
  H     16.29473731     11.69550750    -11.52092873
  O     12.09279496      5.41343316    -12.69745715
  H     16.21834653      4.76788373    -14.61792370
  H     13.18556373      7.24936261    -15.58460934
  O     20.04635153     10.23991688    -12.17069791
  H     14.65795398      9.08682540     -8.95787224
  H     14.41104688      6.48197495    -15.06463337
  O     17.92220989      6.52945964     -9.63967123
  H     13.38421145      9.38511000     -8.13449135
  H     12.70366415     10.10927440    -12.27070680
  O     15.60879166     12.23472222    -11.93709524
  H     18.75602141      7.43437753    -14.90817717
  H     12.84171833      8.57606772    -12.25157258
  O     14.13054023      7.10750825    -15.74461232
  H     18.11016793      6.12214455    -14.39310805
  H     14.57130254      8.78827780    -15.15970356
  O     12.64551604      9.32114574    -12.83269357
  H     13.81327443      5.08601369    -13.47164164
  H     13.97361267      9.60816480    -13.99251509
  O     14.70715321      9.58103029    -14.62568162
  H     15.17237736      5.51699404    -12.88576766
  H     15.68086007      6.99995121    -16.77500402
  O     16.60026719      6.81441672    -17.00884048
  H     19.84253660      8.40378273    -11.67241545
  H     16.81598807      6.00488100    -16.53041708
          69
 Energy    -249.49993769414868     
  O     12.57755732     10.03657531    -12.47010771
  H     13.43730209     10.00595776    -12.02719695
  H     15.25301532      6.64867911    -16.31857255
  O     14.21360771      6.66480133    -14.89386784
  H     12.68925215     10.64720478    -13.21517678
  H     17.35940919      7.90470519    -16.77572900
  O     17.60412702     10.71779579    -10.63768363
  H     14.24446932      6.16667959    -14.06393410
  H     17.69804892      9.37354050    -17.08728590
  O     16.67751584     10.83463948    -17.71850410
  H     13.38671904      7.16410670    -14.87892679
  H     14.15161471     11.39226848    -14.81890657
  O     11.89290620      8.13541480    -14.46217697
  H     17.87255796      9.80376800    -10.43031985
  H     12.85292448     10.95270195    -15.52887097
  O     16.35445166      6.17022674     -9.23346576
  H     17.96144216     11.27458365     -9.95144123
  H     15.89088399      9.42158160    -14.31351645
  O     14.18324601      5.55879854    -12.37438831
  H     16.80684888     11.43880621    -18.44379379
  H     15.25756497      7.98974104    -14.20864233
  O     15.10584631      9.68643464    -11.38153598
  H     15.89847207     10.28978779    -17.93554227
  H     11.72587723      8.95053867    -11.31216837
  O     14.60303808      9.16334226    -18.10102098
  H     12.16380418      8.79979119    -13.81372158
  H     10.70684278      8.62865552    -10.19666703
  O     16.81417465      4.99582521    -11.85008326
  H     11.55693060      7.38293832    -13.95362297
  H     18.81225774      7.70715660    -13.41719524
  O     15.96497544     11.10345755    -15.01146032
  H     16.20745757      5.72411720     -8.40304837
  H     17.29574840      7.73130374    -13.19897934
  O     15.81543421      6.78125326    -17.09973523
  H     15.50764833      6.57253293     -9.48696280
  H     11.27891673      6.73498776    -11.90736667
  O     18.04823625      8.57206487    -16.67873926
  H     14.11389414      6.21951722    -11.67333206
  H     12.23874805      5.71989809    -12.56133681
  O     13.18647609     11.39848731    -14.74317609
  H     15.07276719      5.18692133    -12.27869581
  H     18.05651142     11.02246243    -12.48321718
  O     15.83872882      8.62214127    -13.77185377
  H     15.37583795      9.29681989    -12.22886761
  H     18.75991090     10.42337449    -13.72762374
  O     11.42576442      8.25607097    -10.70101904
  H     15.87142571     10.16604786    -11.04653470
  H     19.12016992      8.78392274    -15.32886818
  O     18.10757037      7.28956848    -12.90826862
  H     14.93546657      8.29615412    -17.83742112
  H     20.58211008      8.95309440    -14.85297132
  O     11.37227669      6.13550744    -12.65865975
  H     13.74441852      9.28053861    -17.67630389
  H     17.64146264      7.47951699     -9.77454056
  O     18.19288724     11.14537636    -13.43003813
  H     17.35779975      5.66630644    -12.28553364
  H     18.25787252      7.79733189    -11.15006273
  O     19.68058588      8.92616697    -14.54424863
  H     16.78039263      5.25411012    -10.92096963
  H     11.29172902      9.73979169    -17.20025497
  O     18.19230367      8.11915780    -10.23939760
  H     16.74955300     11.26211435    -14.46339488
  H     11.95530169      9.02720306    -16.00268004
  O     12.13236559      9.59287093    -16.77257563
  H     16.24493708     11.11125622    -15.93457037
  H     13.14602372      7.61655655    -10.19018132
  O     14.08967814      7.42215007    -10.21965326
  H     15.91545339      5.92621457    -17.51158754
  H     14.51770146      8.22571665    -10.55449618
          69
 Energy    -249.49938630988203     
  O     -0.00162632      2.38380987      1.07528918
  H     -0.86864764      2.46756955      1.49239618
  H      0.73754272      2.30133815     -1.88043863
  O     -3.21061644      5.48245678      1.02642794
  H      0.26426523      3.28630371      0.83255819
  H     -0.82787722      3.50392222     -2.52172079
  O      4.06857019      6.43097662     -0.12345639
  H     -2.99238994      6.08380158      1.74849104
  H     -2.08733767      4.10446506     -3.19451731
  O      2.16989726      6.46220684      1.97763582
  H     -2.61383723      5.71903505      0.30007806
  H      0.67512617      8.21729803     -1.43922359
  O     -1.43635522      6.13210184     -0.94405126
  H      4.96444609      6.75842270     -0.11151470
  H     -0.26284270      9.44334750     -1.57089778
  O      2.14352874      3.56384526     -1.86576930
  H      4.12395023      5.46627606     -0.00336509
  H     -1.88061545      1.30029574     -1.91138717
  O      0.76333378      4.84404369      0.19201353
  H      2.87838371      6.63083485      1.34676532
  H     -3.19574193      1.87820299     -2.47037129
  O     -2.09790219      7.07912889      3.05624493
  H      1.52769966      7.18793202      1.92751305
  H      2.78625285      1.32307551      2.43064478
  O     -1.14783731      4.71615799      3.90922233
  H     -1.36884098      5.59143797     -1.74104967
  H      1.65146627      2.11570622      1.74740493
  O     -2.50911130      2.95753228      2.06243940
  H     -1.09486317      7.01726072     -1.12707956
  H     -4.75563207      3.06556726     -0.23175738
  O      0.13501111      8.24646351      1.69522455
  H      2.04193010      4.11632660     -2.64841944
  H     -4.40136542      4.55549169     -0.05946848
  O     -0.15426771      1.99830002     -1.66609533
  H      1.70398677      4.04283576     -1.14250546
  H     -4.55215988      3.65281181     -3.79394485
  O     -1.15422747      4.27455459     -3.00867575
  H      1.23334331      5.37667690      0.84582272
  H     -4.21978580      3.77757413     -2.28814460
  O     -0.18115185      8.58855516     -1.15748100
  H      0.00797103      5.35522498     -0.12170461
  H      0.36360676      5.01947359     -3.66134620
  O     -2.83760372      1.16741169     -1.92552197
  H     -2.48650013      7.54488004      3.79200897
  H      1.32793565      5.38381939     -4.81231104
  O      2.56486296      2.17960881      2.07241454
  H     -1.71585067      6.25719911      3.41835895
  H      2.00670294      3.61380072      3.28249258
  O     -4.81525454      3.92587492     -0.66500010
  H     -1.57498881      3.97103798      3.47428576
  H      1.88109849      5.14609195      3.22554611
  O     -3.83867050      3.58803196     -3.16510795
  H     -0.19423728      4.54486514      3.90246187
  H      3.65211739      3.21588320      0.85972613
  O      1.25275871      5.35597680     -3.86145144
  H     -2.74343864      3.82924091      1.71107242
  H      3.56037573      3.50155050     -0.64987881
  O      1.59041892      4.36470948      3.71745935
  H     -3.10713692      2.33015661      1.63855199
  H     -4.70880477      0.57647416      0.59125371
  O      4.06488223      3.71779464      0.14669514
  H     -0.66809494      7.90090409      2.10555227
  H     -3.67886787      1.20142538     -0.37886750
  O     -4.17790963      1.35443905      0.44294103
  H     -0.07138179      8.43997458      0.77429101
  H      2.76667356      7.02281704     -1.38626116
  O      2.08284016      7.37279376     -1.97049713
  H     -0.19041308      2.00189270     -0.69804360
  H      1.89148360      6.69575413     -2.62979541
          69
 Energy    -249.49936059229248     
  O     11.89341401     10.94060837    -14.05716639
  H     12.48816451     11.66769401    -14.27321176
  H     19.04108700      7.62364529    -13.61955097
  O     15.96928423      6.95698876    -13.26291537
  H     12.04706127     10.26053529    -14.72810542
  H     14.44519306     10.98519140    -17.51038188
  O     17.19859492     10.52454825    -16.15251380
  H     15.72483967      7.74127958    -13.77696571
  H     15.73455944     11.41494342    -16.79125606
  O     12.12786760      6.32743334    -15.00333716
  H     15.36133862      6.91670705    -12.51315392
  H     14.28529355      9.06808143    -15.08907189
  O     16.68985890      9.40933688     -9.34303185
  H     17.69428363      9.80613850    -16.56538988
  H     15.76769738      9.50018643    -15.33441820
  O     14.43530770      7.07637009    -10.93602248
  H     17.62011486     10.71614516    -15.30465031
  H     10.81098848     10.16745500    -11.22120493
  O     15.34386893     11.25589281    -12.96679556
  H     11.42722747      5.69647486    -15.14474987
  H     11.69457132     10.27808026    -12.48729646
  O     15.76795148      7.52718635    -17.61613311
  H     12.08957626      6.58208356    -14.06342220
  H     11.80435056      8.02756836    -12.17735853
  O     16.83061807      6.53304781     -9.52668417
  H     16.67914862      8.45186654     -9.22346409
  H     12.83167173      6.93161076    -11.86411862
  O     18.48973734      8.17180847    -17.00742517
  H     15.82827709      9.64982540     -9.70908614
  H     18.43124024     10.50692969    -12.58819127
  O     14.88675658      5.79872634    -15.63190598
  H     15.13877074      6.77026085    -10.35219943
  H     17.13942977     10.99682838    -13.25069974
  O     19.12033524      8.21731566    -14.37193250
  H     14.41688234      8.04333535    -10.87047921
  H     18.49077195      8.01207737    -11.57758156
  O     14.83287094     11.70196837    -16.99571691
  H     14.88868592     11.96467029    -13.43626428
  H     17.51014586      7.07818840    -12.37736534
  O     15.15301734      9.15584005    -14.67538809
  H     15.21025712     10.46257311    -13.51233541
  H     18.07716259      9.74502281    -10.33873274
  O     11.61782619      9.84782287    -11.61579121
  H     16.71049049      7.65704936    -17.46901475
  H     19.60437773      9.98697857    -10.41138197
  O     12.07093374      7.13414961    -12.42433293
  H     15.47281561      6.87503990    -16.96302723
  H     14.59195360      8.66764434    -18.10278240
  O     18.04300246     10.71142853    -13.44885909
  H     17.16630036      5.81586229     -8.99528618
  H     13.66315918      9.20240757    -19.22001426
  O     18.30136089      7.09341649    -11.81196373
  H     17.41879131      6.61124991    -10.29647870
  H     14.70606942     10.41726064    -11.48464715
  O     18.84117130      9.77303294    -10.94184238
  H     18.75009979      8.07117405    -16.07454589
  H     13.35439032      9.91152901    -10.93862319
  O     13.88799638      9.31389753    -18.30072015
  H     19.26486958      7.98222844    -17.52939892
  H     13.75709764     13.81216026    -14.91353896
  O     14.30818269      9.87162990    -10.79120073
  H     13.94519943      5.88144418    -15.43936361
  H     14.18714562     12.48525886    -15.57887879
  O     13.87213152     12.88079845    -14.74601133
  H     15.33878982      6.01315775    -14.80615589
  H     12.39104505      8.01777413    -15.67902873
  O     12.61790926      8.94105913    -15.85125825
  H     18.76985642      9.06638479    -14.07094214
  H     12.91564356      9.02230702    -16.76666354
          69
 Energy    -249.49903346153724     
  O     16.61899247     10.12377511    -15.30244091
  H     17.47806464      9.69811008    -15.16818864
  H     13.27164121     10.79728502     -9.18760990
  O     16.85841443     12.89621906    -15.04973094
  H     16.74267060     11.08154592    -15.31847136
  H     18.46235962      3.78570078    -14.63053649
  O     13.06888583      7.68261360    -10.71756865
  H     16.78747813     13.59315448    -15.69627606
  H     17.21525040      4.64300570    -14.95089608
  O     14.51332056      8.46104369    -16.01923594
  H     16.21146746     13.09541324    -14.34764822
  H     15.47170213      7.97809869    -12.39287216
  O     18.88785207      8.72017239    -14.56897146
  H     13.28781674      8.52274013    -10.29842152
  H     14.82185012      6.69379521    -12.97419568
  O     20.27900584     10.37070626    -12.75768549
  H     13.90221856      7.33753338    -11.06577379
  H     18.74036809      7.52542755    -16.01822227
  O     18.04191323      6.75647753    -12.73256334
  H     14.90164968      7.90038902    -16.70318069
  H     18.49401694      6.01037867    -15.98701417
  O     11.53589746      7.40096555    -12.95156928
  H     15.20882238      9.09171244    -15.78408734
  H     17.24610900     13.86930774    -10.11553096
  O     15.22736136     13.35994062    -12.95340286
  H     19.48384397      9.28478484    -14.06279106
  H     16.92892749     12.37219616    -10.33083903
  O     12.42694455      9.70664141    -14.40601740
  H     18.56211657      8.04918089    -13.95050806
  H     16.90209623      6.81297867    -17.36183634
  O     13.68199660     11.10009631    -12.39376941
  H     21.19405580     10.59511361    -12.61484629
  H     16.06994231      6.63544662    -18.65311460
  O     13.81332481     10.28990935     -9.78783889
  H     19.78987422     11.20945755    -12.84822118
  H     16.22339109      9.84779549    -13.57614623
  O     18.13809303      4.68219694    -14.63977507
  H     17.09673961      6.74958090    -12.51738053
  H     16.80557504      9.64655342    -12.14048924
  O     15.34955383      7.02898205    -12.23615168
  H     18.18965161      5.98371962    -13.29152674
  H     18.21872340     12.72688391    -13.73726432
  O     18.47217748      6.77985676    -16.56998962
  H     12.01223665      7.51919508    -12.11048158
  H     18.25377781     12.83027001    -12.19758820
  O     17.08099186     13.21627132    -10.79062674
  H     10.66107588      7.09254517    -12.73206854
  H     13.97127096      7.10338261    -14.93933850
  O     15.99502778      6.73311795    -17.70755697
  H     14.56090160     12.68123191    -12.78099335
  H     12.88502047      6.57850992    -13.95890456
  O     15.98938092      9.68377698    -12.65298331
  H     15.78794162     13.38922427    -12.16786391
  H     18.31214689      8.20601993    -11.50123453
  O     18.77932562     12.57655653    -12.96710986
  H     13.03006501      9.35252154    -15.06998065
  H     19.05566265      9.55628278    -11.57936970
  O     13.72410112      6.35244823    -14.37795292
  H     12.03001564      8.94329731    -13.96735898
  H     17.22805501     10.12610238     -9.93580139
  O     18.31222452      9.10819842    -11.15523099
  H     13.13063434     10.72099663    -13.09264090
  H     15.75085933     10.50360586     -9.61419136
  O     16.66048797     10.82336958     -9.58369124
  H     14.53060967     10.63016296    -12.44748621
  H     14.89176960      5.13398956    -15.15343999
  O     15.62539502      4.75811029    -15.65811259
  H     13.65851397     10.65269119    -10.67733851
  H     15.68883349      5.30239769    -16.45278385
          69
 Energy    -249.49883396719875     
  O     16.47708106      9.80525618    -10.07698944
  H     15.81906181      9.77859830    -10.78298082
  H     13.75175263      8.92739671     -6.36548391
  O     15.03224235      4.38169758     -7.43841207
  H     16.20149064      9.13836234     -9.42788079
  H     18.21593295      5.03465643    -14.31884122
  O     16.62224706     11.19217351     -7.68431692
  H     15.39171684      4.69964423     -8.28263940
  H     17.03216419      5.88906559    -13.80702004
  O     12.57691942      5.84721823     -7.73820532
  H     15.22314044      3.44755975     -7.39731496
  H     16.78822735      5.66623242    -10.18090548
  O     14.48510358      9.37753710    -11.92824361
  H     15.71315164     11.06828039     -7.38683604
  H     15.82821864      6.43837487     -9.24559545
  O     18.86945619      8.87350214    -10.99193249
  H     16.62370424     10.90396660     -8.60832666
  H     18.35295459      7.59462426    -13.79119705
  O     20.52169728      9.19188402     -8.71363692
  H     12.80907332      6.60374048     -7.17797038
  H     18.62292318      8.76654347    -12.82778114
  O     18.39046594      6.11186974    -10.92804861
  H     13.30020466      5.21952541     -7.63512156
  H     15.81153756      9.80186853    -15.20764447
  O     11.78168730      7.09459492     -9.97514506
  H     14.34993926      8.42663552    -11.80200461
  H     16.73246835      9.10089589    -14.18121863
  O     13.85234473     10.68716260     -7.15064585
  H     14.85973310      9.47954569    -12.81174385
  H     14.94941987      7.90590274     -7.74423865
  O     12.94675452      9.69595756     -9.53641536
  H     18.03284846      9.26104447    -10.69090438
  H     16.49387592      7.75963238     -7.65504552
  O     13.64226464      7.97047991     -6.36411627
  H     19.51978595      9.05088850    -10.30390632
  H     18.07898940     10.58571859     -7.00257449
  O     17.97788186      5.69565613    -13.67458826
  H     21.40204823      9.54941014     -8.62295163
  H     19.13911867     10.68241218     -5.88010235
  O     15.92249433      5.61674484     -9.75501203
  H     19.98730029      9.58314893     -8.00494150
  H     16.48955534      6.69713805     -5.57986021
  O     18.32921196      8.55695998    -13.72468084
  H     18.32456113      5.83573443    -11.85062153
  H     15.44731747      5.62557458     -5.94425804
  O     15.80269728      9.28336633    -14.40779545
  H     18.53148004      7.06988189    -10.94739407
  H     14.66292243      6.19090214    -10.96492166
  O     15.75614804      7.87748880     -8.27066735
  H     10.85456555      6.93487405    -10.12948404
  H     13.20357884      6.71034849    -11.09139480
  O     18.89652118     10.18362600     -6.65589304
  H     12.02468631      6.59319937     -9.17550957
  H     20.07389353      7.28514599     -8.54361878
  O     15.61795865      6.35649943     -5.33729710
  H     13.52889622     10.36353213     -8.01135405
  H     19.27264325      6.16084693     -9.22935538
  O     14.04144203      6.62639373    -11.56408271
  H     13.25907173     11.38656966     -6.88741555
  H     18.24647011      8.40221952     -6.43610047
  O     19.61953723      6.45056645     -8.37607351
  H     13.41423093      9.78699779    -10.37556634
  H     18.49533122      7.02249100     -7.10902528
  O     17.88771209      7.51340385     -6.53437830
  H     12.47287822      8.85819025     -9.60193097
  H     14.83355194      6.41403605    -13.22702894
  O     15.39507346      6.45651033    -14.01301753
  H     14.32507579      7.55250627     -5.81539116
  H     15.42106802      7.38638902    -14.26912247
          69
 Energy    -249.49858180160982     
  O     18.54817659      5.33349615    -14.60604119
  H     18.84324155      5.53023055    -13.70840285
  H     10.89290687      7.26838192    -10.34410277
  O     12.08167116      5.80705535    -15.59524854
  H     17.75011422      4.80068968    -14.51752326
  H     12.27035261      5.85038709    -13.73810616
  O     14.21241861     10.09052953    -13.29297026
  H     11.38628004      5.40568085    -16.11003236
  H     13.38965341      5.92203526    -12.66301007
  O     12.88618036      9.50786102     -9.05597102
  H     12.01025259      6.76944949    -15.73022529
  H     16.13165957      9.92010721    -10.67348175
  O     11.92368987      8.51053260    -15.72817501
  H     14.25760895     10.28706561    -14.23726921
  H     14.86429994      9.96145161    -11.56981806
  O     18.58120950      7.76117047    -15.94458803
  H     13.34370386      9.68834875    -13.13767622
  H     15.98729653      7.91336298    -14.71933153
  O     14.83690223      5.53206936    -16.30069542
  H     13.02061065      8.64410264     -8.64648087
  H     15.36656032      8.71287523    -13.53963851
  O     17.99264586     10.01882534    -10.79559415
  H     13.69420744      9.70249654     -9.54852384
  H     15.73414516      4.51572918    -13.49524801
  O     13.13240374      6.74461854     -8.29639399
  H     11.72661640      8.72155223    -14.80507685
  H     15.93173571      3.05537211    -13.96564316
  O     15.93421796      8.01105660    -16.55779578
  H     12.67125276      9.06870875    -15.97165529
  H     14.38853162     10.78595151    -16.80083627
  O     10.59544976      9.18105022    -10.46771649
  H     18.61050855      6.85466460    -15.59842697
  H     14.88848285      9.39213695    -16.35671088
  O     11.29127278      6.39377699    -10.25403367
  H     18.81206413      8.31710249    -15.19508419
  H     12.05847089      7.84926776    -12.85981523
  O     12.44606457      6.06996082    -12.81447782
  H     13.89812698      5.54986945    -16.07906874
  H     11.31112546      9.01187312    -12.15108763
  O     15.18954005      9.70893460    -10.69520395
  H     15.25314369      4.92007968    -15.68240810
  H     17.68456725      8.45302732    -13.36703890
  O     15.97662030      7.99658142    -13.75679563
  H     18.56670068     10.76221354    -10.62981007
  H     19.03158130      7.90927822    -12.84243401
  O     16.04805214      3.96391995    -14.23163506
  H     18.24638549      9.65532978    -11.66166376
  H     15.50229582      6.53457425    -12.91636035
  O     14.27499563     10.11479393    -16.13292390
  H     12.45871000      6.53585424     -8.96875760
  H     15.27377615      6.05430900    -11.46433885
  O     11.82269499      8.78547382    -12.93672523
  H     12.89192723      6.27077854     -7.50527275
  H     19.02691971      6.51418629    -11.26482619
  O     18.58761035      8.71753610    -13.13143283
  H     15.56701578      7.11445210    -16.60134063
  H     20.38028000      5.97714146    -11.77891000
  O     15.18540440      5.78476406    -12.38742940
  H     16.90054690      7.94848826    -16.51675323
  H     18.19079319      8.21506188    -10.04551518
  O     19.51419130      6.25589913    -12.06628147
  H     11.39217395      9.38290737     -9.94409690
  H     17.23088732      7.03977243     -9.81430742
  O     18.16598747      7.25869532     -9.92351636
  H      9.88637493      9.70660386    -10.10828009
  H     15.27470366      7.91915961    -10.22360180
  O     15.37793496      7.00348871     -9.92613425
  H     11.61558036      6.15223274    -11.13176830
  H     14.67214602      6.83290878     -9.29072645
          69
 Energy    -249.49853927382640     
  O     12.42392799     11.48952305    -16.12782604
  H     11.70353662     10.94210612    -15.77840458
  H     16.38517230      6.29885169    -18.25265112
  O     15.49971601      7.34423251    -13.20283014
  H     12.93007560     11.75764478    -15.35673038
  H     17.99125864      9.25612894    -11.73946453
  O     15.14955773     11.04749543    -11.03513852
  H     15.36045123      8.11104017    -13.78105453
  H     18.37060600     10.71530287    -12.04095045
  O     16.36792558     12.71365566    -14.05622286
  H     15.90529210      7.67635661    -12.38981424
  H     17.01229843     10.52594237    -16.78611532
  O     13.58927746      7.98388803    -16.93507700
  H     14.72573114     11.18372034    -11.89321529
  H     17.95267236     10.19209147    -15.57545955
  O     12.81168056     10.44584773     -9.67083178
  H     15.97235087     11.55295195    -11.06340556
  H     15.77673480      9.83032923    -15.29012038
  O     12.76664924      7.46463564    -12.66059472
  H     16.71001267     12.12884306    -14.74757647
  H     14.49067121      8.99603559    -15.62527581
  O     13.84427088     11.44944090    -13.53388056
  H     15.43671370     12.48876201    -13.94564448
  H     10.83206432      8.88705161    -15.01506909
  O     17.31669553      6.87385593    -15.31385579
  H     13.44683877      8.74712735    -17.51199480
  H     10.81805054      9.97317025    -13.92880544
  O     12.91319287      7.56681037     -9.81471916
  H     14.39342030      7.53888282    -17.23627751
  H     15.48388386      6.19686111     -8.44165877
  O     19.12626218      9.00372398    -14.76433889
  H     12.66919198     10.98916705     -8.89977665
  H     14.51582555      7.13374907     -9.18684652
  O     16.07790161      7.01447309    -17.70303848
  H     13.67844977     10.69399044    -10.03221127
  H     12.31319761      7.37869520    -15.85754677
  O     18.60315232      9.80371885    -12.25068625
  H     12.32141470      7.23409254    -13.48490773
  H     11.14268285      6.39844390    -15.61320146
  O     17.22250714     10.75248161    -15.86743627
  H     13.71232797      7.32339398    -12.80989850
  H     17.17588967     12.58364506    -12.53135305
  O     14.98264370      9.42418171    -14.91571279
  H     13.03585738     11.10271250    -13.13130616
  H     17.98737391     13.18782611    -11.35815316
  O     10.62387431      9.81610701    -14.86215692
  H     14.23735456     10.70854342    -14.02594570
  H     15.98200525      9.35908261    -10.89800130
  O     15.44554892      7.01624486     -8.92696251
  H     16.73908825      6.84603766    -14.54003351
  H     16.23835987      8.00275545    -10.17059984
  O     11.61929331      7.12810744    -15.22481126
  H     17.98898696      7.54002647    -15.12414697
  H     15.36558921     10.10175432    -18.36974391
  O     17.53747492     12.39804385    -11.64495928
  H     12.76937114      7.40774949    -10.75629337
  H     16.28276137      8.87434275    -18.18080290
  O     16.50736107      8.54932110    -10.92311343
  H     12.80112528      8.51599184     -9.68320417
  H     11.92111502     10.26386286    -11.35289418
  O     16.28742752      9.83614073    -18.26165992
  H     20.07136431      8.95368041    -14.87988792
  H     12.14482632      9.16209644    -12.41342921
  O     11.79988705     10.05968869    -12.28691608
  H     18.97075318      9.27668950    -13.84143133
  H     13.10772265     10.85510743    -17.57522708
  O     13.46357396     10.37982605    -18.34839245
  H     16.54513870      6.93456620    -16.85145096
  H     13.00619529     10.72074532    -19.11226263
          69
 Energy    -249.49840352198754     
  O     14.02581379      3.43518256    -15.89129564
  H     13.31335082      2.80694318    -15.97594392
  H     20.39084862      5.54643909    -15.85638475
  O     17.12274463      7.71067552    -12.02393154
  H     14.05371974      3.70647559    -14.95669734
  H     19.10287925      8.84165724    -16.57250563
  O     19.88468282      5.73923690    -17.51561961
  H     18.02736302      7.72039144    -12.36985741
  H     18.13873482      8.72684667    -17.78347462
  O     17.54431805      4.65954332    -18.80393504
  H     16.57175918      8.11916864    -12.70671856
  H     17.53715667      7.13772740    -16.33914164
  O     12.54768961      7.62712118    -11.46746725
  H     19.17207394      5.28392821    -17.97764997
  H     16.11441116      6.48247858    -16.23789889
  O     14.16594974      4.43600449    -13.37819094
  H     19.63460688      6.67517842    -17.53332496
  H     13.62721081      6.12520257    -13.90157669
  O     15.62972993      8.55006032    -14.19513131
  H     17.63940665      4.07253496    -19.55023331
  H     12.89976557      7.32887391    -13.29127524
  O     18.01292645      4.49437917    -14.48557317
  H     17.24926257      4.11025154    -18.05582441
  H     15.73245850      4.22376457     -9.12363921
  O     12.71951165      4.76307577    -11.08397308
  H     13.41332610      7.68591008    -11.02422584
  H     15.81599985      4.72071075    -10.58418699
  O     19.32599635      9.98988311    -15.14606412
  H     11.97885225      8.26248913    -11.04103055
  H     13.80388288      6.58762462    -15.94168968
  O     16.75521528      3.21289617    -16.65496081
  H     13.55412631      4.41867144    -12.62741179
  H     14.13054330      5.19430240    -16.52704172
  O     20.58810675      5.48967591    -14.90406488
  H     15.04544611      4.60541733    -13.01562690
  H     19.90787892      7.01596073    -13.87929177
  O     18.79563625      8.24383563    -17.26637800
  H     14.75405907      8.14944180    -14.13205696
  H     19.51153347      8.50865936    -13.95722696
  O     16.92285195      6.68358935    -15.74954313
  H     16.17032182      7.92370685    -14.70216988
  H     16.78619468      5.93591951    -12.09972466
  O     13.30642610      7.01473096    -14.10919871
  H     18.96307852      4.65768682    -14.52246162
  H     17.18468945      4.66373551    -12.88823572
  O     15.27527544      4.74754225     -9.77650852
  H     17.60376738      5.27538945    -14.89383041
  H     15.07382755      6.66443177     -9.89125268
  O     14.25951580      6.14166970    -16.66600039
  H     13.48553525      4.69649404    -10.49844142
  H     15.77324096      7.74695256    -10.73225167
  O     19.51800552      7.73868534    -13.37515036
  H     12.51000237      5.70382915    -11.14146477
  H     16.40278518      6.18203974    -18.89911535
  O     16.61973086      4.98431987    -12.17254227
  H     18.40852220     10.27844439    -15.30174268
  H     15.09190314      6.66056016    -18.23005590
  O     14.96817775      7.56163580    -10.23008304
  H     19.84633596     10.78003223    -15.02737722
  H     16.56270307     10.26167233    -16.67049308
  O     15.78600548      6.92323227    -18.84995131
  H     15.82404828      3.17732690    -16.40671497
  H     16.23123092      9.97941179    -15.18496168
  O     16.74572295     10.55416821    -15.76975244
  H     17.23680701      3.49883806    -15.86717970
  H     16.24243466      8.58519463    -18.64542010
  O     16.58469661      9.47871214    -18.46219751
  H     21.49085412      5.19232511    -14.82932217
  H     16.43300874      9.99458934    -19.24968420
          69
 Energy    -249.49826746271430     
  O     16.79043208      9.62541920    -10.41612647
  H     16.12735057      9.66364590    -11.11654430
  H     13.42534973      9.79602563     -6.96568447
  O     14.47137974      4.88976565     -7.18783112
  H     16.38120520      9.08495700     -9.72310539
  H     13.72499258      8.03821185     -5.50471965
  O     18.17810097     10.37455221     -8.07611174
  H     14.88499630      5.07317198     -8.04795690
  H     12.47914307      8.68425032     -4.85297538
  O     12.20182501      6.58267702     -7.63735551
  H     14.54861683      3.95029130     -7.04123998
  H     17.79176236      4.12581814    -13.81476143
  O     14.69670123      9.24016750    -12.19319300
  H     17.58118710     10.95452337     -7.58088496
  H     16.73393909      5.21563530    -13.52117834
  O     19.05539083      8.32274842    -11.22475900
  H     17.75504262     10.25533414     -8.93810370
  H     16.42351596      5.66239637     -9.93224197
  O     20.42329627      8.95177638     -8.82406893
  H     12.32873877      7.26645940     -6.96843997
  H     15.47067096      6.64212893     -9.19057115
  O     18.08696510      5.75226788    -10.65325849
  H     12.89443900      5.93013141     -7.47998951
  H     18.28257156      6.68348671    -13.75469212
  O     11.54163235      7.35779560    -10.13921465
  H     14.42299537      8.34031650    -11.96243187
  H     18.76775897      7.94481780    -13.01714723
  O     16.14861812     11.75521900     -6.86588431
  H     15.08270988      9.17801697    -13.07575536
  H     16.07682801      9.06408492    -15.47734078
  O     12.82347726      9.92063150    -10.10373609
  H     18.24854313      8.81892397    -11.01482864
  H     16.90033982      8.35663491    -14.37614830
  O     13.90307812     10.31454379     -7.62571723
  H     19.69316735      8.54166204    -10.53665547
  H     14.90037556      8.88948075     -8.19555651
  O     12.90890039      8.53770645     -5.69138614
  H     21.24766334      9.34414786     -8.54793403
  H     16.15716516      8.08565903     -7.74667956
  O     17.63232977      4.91133285    -13.29866375
  H     19.71452873      9.52815197     -8.49146636
  H     16.01015369      7.35334101     -5.57314751
  O     15.53459533      5.74607118     -9.56295583
  H     17.98156575      5.32213403    -11.51136783
  H     14.98758343      6.24168327     -5.90380598
  O     18.40854545      7.63430971    -13.85924788
  H     18.41926416      6.64056212    -10.84692367
  H     14.39709721      6.22241485    -10.90193401
  O     16.00469884      8.65101162    -14.62112824
  H     10.61428290      7.18652739    -10.27970048
  H     12.98104631      6.80365441    -11.15981004
  O     15.51974874      8.20110280     -8.46506315
  H     11.74990083      7.05854104     -9.23598337
  H     19.72833655      7.19062506     -8.34075171
  O     15.13137348      7.01955743     -5.35018594
  H     15.33265105     11.30119311     -7.13158294
  H     18.85421846      6.04453321     -8.89164439
  O     13.83228713      6.62312860    -11.57725870
  H     15.88277748     12.62437742     -6.57685188
  H     17.77526734      8.86985758     -6.86732896
  O     19.16388881      6.45368887     -8.07481104
  H     13.42145226      9.88374970    -10.85995389
  H     18.07004131      7.35342367     -6.97690892
  O     17.49288230      8.00477941     -6.54752394
  H     12.30789222      9.10521530    -10.13640801
  H     14.62527331      6.10561121    -13.15823729
  O     15.21112081      5.97097304    -13.91591042
  H     13.42925944     10.27631078     -8.47160799
  H     15.37296176      6.84909947    -14.28124646
          69
 Energy    -249.49743151830614     
  O     11.45426496      9.96080477     -9.76848821
  H     11.27457954      9.02954077     -9.59016132
  H     16.74074437     11.11668042    -13.49186910
  O     13.49741925      5.62286835    -15.61499712
  H     10.90597010     10.19176777    -10.52969764
  H     16.14205224      7.13950789    -13.00560596
  O     18.36882974      8.78817611    -10.86328153
  H     13.07902835      5.00991097    -16.21298951
  H     16.23198967      8.69973110    -12.99547441
  O     12.48396886      9.88666952    -13.65587734
  H     14.24983572      5.15467785    -15.20800698
  H     10.51873610      6.53807071     -9.15791861
  O     15.75948132      5.71270550    -11.93222292
  H     18.27240991      7.86644215    -10.59865275
  H     10.54899164      7.18969944    -10.56220443
  O     12.29679313      7.11691661    -13.56841832
  H     18.81593598      8.75728271    -11.72117706
  H     19.51685922      6.63547769    -13.20611114
  O     16.37045234     10.26270864    -12.00726562
  H     13.10339931     10.20218761    -14.32907914
  H     19.00403570      5.33105481    -13.81691038
  O     15.62564725      4.49352220    -14.43264463
  H     12.41956831      8.92458759    -13.74282162
  H      9.80669148      8.50309766    -12.23192775
  O     18.79736496     10.06662612    -15.81643409
  H     14.99734628      6.09430971    -11.47455019
  H     10.60746418      7.29848486    -12.76150466
  O     15.14218076      7.89722611    -16.02485041
  H     16.52035132      5.72824724    -11.33769037
  H     19.24576617      8.99015306    -14.30388101
  O     17.80732476      7.47491550    -16.72554587
  H     12.79664360      6.96834925    -12.75455765
  H     18.16426398      8.13492296    -13.62829808
  O     16.90458175     11.53112120    -14.35719746
  H     12.67380002      6.56076443    -14.26043662
  H     18.61230737      4.47671525    -16.16196213
  O     16.32356790      7.91550371    -13.55160055
  H     15.50585705     10.20142405    -11.57797881
  H     18.10027093      5.91688760    -15.95088887
  O     11.04365058      7.09262691     -9.72839765
  H     17.03615125      9.83233647    -11.44947628
  H     18.66463336      5.75066587    -11.42230146
  O     19.38630032      5.69669574    -13.01045961
  H     15.67569281      4.78105457    -13.51041403
  H     18.64362310      5.38268679     -9.91910966
  O      9.89943189      7.54543842    -12.15045784
  H     16.50171450      4.63430831    -14.81186098
  H     14.63027483      9.65817879    -15.82064358
  O     19.09566594      8.39896859    -13.55974235
  H     19.29481766     10.66946049    -16.36396996
  H     15.23698331     10.92322965    -15.18056860
  O     18.19518289      5.04863476    -15.52209170
  H     18.12711723     10.59706138    -15.35711698
  H     12.75020247      6.94957448    -10.48119144
  O     18.19342406      5.89966300    -10.58173275
  H     14.52347917      7.15874748    -16.03694527
  H     13.73370808      8.01051342    -11.03186729
  O     14.40799504     10.53734669    -15.48123946
  H     15.55198415      7.89440357    -15.14311836
  H     13.08408420     10.00086698    -10.56124048
  O     13.54309986      7.06184849    -11.02045692
  H     16.85161732      7.61502257    -16.66338630
  H     13.39869298      9.93286192    -12.07635882
  O     13.79662047      9.84710538    -11.19769595
  H     18.20518455      8.32163530    -16.49777762
  H     10.95267934     10.31530160    -12.84870644
  O     10.14854843     10.38972031    -12.30642401
  H     16.89914653     12.47404269    -14.20846692
  H      9.63375866     11.10214926    -12.67638376
          69
 Energy    -249.49733813189448     
  O     11.74916817     11.69011974    -16.04086560
  H     10.96063017     12.10136084    -15.69709434
  H     16.19326085      8.01729077    -18.30264014
  O     13.88269457      9.52404842    -20.09069570
  H     12.05917324     11.06527822    -15.36324466
  H     15.62727687     10.34878281    -12.74289561
  O     11.63057584      7.36161170    -16.86830338
  H     13.46319882      9.41586281    -20.93973912
  H     14.15602708      9.92992311    -13.07795435
  O     13.99542901      8.39904599    -10.23985427
  H     13.16800560      9.64269050    -19.43664778
  H     17.08323048      8.10973783    -14.41607110
  O     14.43713889     12.09460817    -16.79996141
  H     12.33871807      6.72977141    -17.03654291
  H     17.54774564      9.58390062    -14.45423882
  O     18.04858191     11.41551090    -18.31246482
  H     11.48342162      7.34666711    -15.91442825
  H     14.85175234      5.38877483    -11.11026761
  O     15.55747935     11.69413052    -19.33272904
  H     14.31222301      8.96357443    -10.96353873
  H     15.03500394      6.78219465    -10.48026373
  O     17.17833010     11.15455371    -13.42703384
  H     13.95656302      8.94957543     -9.46134179
  H     13.98892863      4.93135468    -17.83303670
  O     13.42633403      4.48284277    -12.03435886
  H     13.50381003     12.18954430    -16.58234598
  H     14.47558974      6.38993739    -17.68432826
  O     11.99883608      9.75359389    -18.19515355
  H     14.65270077     11.16321208    -16.63338294
  H     15.56007307      8.14570891    -13.01272476
  O     14.94648054      9.42044003    -16.15799656
  H     18.69680737     11.84339336    -18.86581317
  H     15.98776193      6.78462839    -12.41776385
  O     15.26111605      7.76822269    -18.40716229
  H     17.18727492     11.52653398    -18.75478035
  H     12.29502405      5.94364543    -11.44249107
  O     14.88730021      9.79813885    -12.45753895
  H     15.08482976     11.98783800    -18.54147169
  H     12.50501031      7.36789719    -10.90093627
  O     17.45022221      8.79198105    -14.99671053
  H     15.02596060     10.97912552    -19.70176069
  H     14.09852325      5.62870926    -15.40862980
  O     15.52193829      6.03100590    -10.84331768
  H     17.84057672     11.58409194    -12.89170907
  H     14.76602408      6.26051316    -14.13919707
  O     13.97193273      5.68276053    -17.24543039
  H     17.12226077     11.65907447    -14.25922243
  H     17.95070704      9.55031372    -18.02305039
  O     15.95483999      7.29330409    -13.24091199
  H     13.21085162      3.55661485    -12.10858558
  H     17.83820377      8.58423814    -16.83334332
  O     11.85667551      6.79690476    -11.33065797
  H     13.62433942      4.79642652    -12.93251976
  H     13.58882152      9.61927187    -15.05082204
  O     14.04321310      5.69434923    -14.44756707
  H     11.80266973      8.91634673    -17.74753063
  H     12.42699491      8.98935115    -14.22794034
  O     17.78242859      8.62676727    -17.79736677
  H     11.83449093     10.45185507    -17.55467786
  H     11.62113585      7.21147854    -13.08655141
  O     12.90236948      9.81575748    -14.39273149
  H     15.81914019      9.27391628    -15.77275783
  H     12.56174666      6.76224587    -14.21721414
  O     11.79976469      7.32869519    -14.03003420
  H     14.90433036      8.87106232    -16.94959260
  H     16.10610790     12.48899644    -16.09453077
  O     17.02477700     12.37910618    -15.81320147
  H     14.86220042      8.32189931    -19.09007811
  H     17.49924203     12.07332248    -16.59573056
          69
 Energy    -249.49719855834985     
  O     11.69728789     11.12304406    -15.17330932
  H     12.17749696     11.91784381    -14.91355157
  H     17.99082570      8.13499439    -12.22245883
  O     16.47304880     11.50334482    -10.76738321
  H     12.25653005     10.67724456    -15.82453777
  H     16.16080272     12.56104040    -15.73095023
  O     17.35599352     11.48611460    -14.85370850
  H     17.25762961     11.49275962    -11.32901872
  H     15.38170959     12.31189718    -17.02655348
  O     13.27693418      6.98365242    -16.69680005
  H     15.70941453     11.55755150    -11.35730280
  H     15.38782818      8.79237488    -14.47690642
  O     13.80101498      8.13800693     -9.25304166
  H     16.65455893     10.83689645    -14.68757282
  H     14.60949078      9.86344209    -15.26172851
  O     13.75689674      6.80314571    -12.61284251
  H     17.88725813     11.53118845    -14.05075500
  H     10.96947075     10.02108959    -14.07098632
  O     14.29817042     11.39261101    -12.53272382
  H     12.99113784      6.33775804    -17.33674039
  H      9.69056212      9.57321658    -13.32225139
  O     17.76499447      9.74577227    -16.99629930
  H     12.63773964      6.95477278    -15.95996799
  H     16.82657131      8.13568901    -10.23766138
  O     14.72269746      5.78400397    -10.21853800
  H     13.33410263      8.57659874     -9.97686263
  H     16.34132163      6.77031890    -10.73361889
  O     18.02150239      7.34349033    -15.42838911
  H     14.59677615      8.66202338     -9.08929629
  H     12.33871757      6.74221583    -13.81546536
  O     15.39895810      6.92530028    -14.81223107
  H     13.49904754      7.67949734    -12.29213744
  H     11.23174986      7.73786567    -14.20947725
  O     18.50998569      8.62118949    -12.88106835
  H     14.05572867      6.30487790    -11.84259434
  H     19.65447616     11.45159722    -12.21834944
  O     15.39418701     12.86512184    -16.23907573
  H     14.64539057     10.76243343    -13.18373448
  H     18.70738494     10.28083080    -12.58483092
  O     15.20852639      9.73747813    -14.51343042
  H     13.95532847     12.13396085    -13.04464230
  H     16.33783361     10.24063917     -9.61117459
  O     10.61006548      9.35839262    -13.45309740
  H     17.82005994     10.40909711    -16.29338316
  H     16.73197107      9.72534029     -8.20840643
  O     17.00460504      7.44900360    -10.89340735
  H     17.89796197      8.89718644    -16.55903750
  H     15.84763347     10.96418980    -19.20860013
  O     11.70687134      6.95599192    -14.51616444
  H     14.62231684      5.05999499     -9.60765318
  H     16.40440576     10.37552114    -17.89176230
  O     18.75255298     11.24681450    -12.44778378
  H     14.35497615      6.57541939     -9.78239719
  H     13.27312149     10.04466798    -11.85536387
  O     16.27723743      9.47763099     -9.00871913
  H     17.10420717      7.10233886    -15.21430884
  H     11.95807319      9.28619828    -12.15862514
  O     15.62337379     10.79257909    -18.29816026
  H     18.48335333      6.52859419    -15.61107740
  H     14.09586010     13.17462676    -15.11160035
  O     12.77222302      9.24548780    -11.64170489
  H     14.75670089      6.88065058    -15.53179563
  H     13.22106829     14.22110263    -14.38545337
  O     13.39863611     13.28598089    -14.44074008
  H     14.90660673      6.79558909    -13.98833818
  H     14.19546094     10.08823789    -17.40941182
  O     13.53942473      9.77781302    -16.77102787
  H     18.40516222      8.17294263    -13.72530278
  H     13.44346025      8.82253066    -16.87538661
          69
 Energy    -249.49700961083659     
  O     16.41163014      9.99714349     -7.31647135
  H     16.40306670      9.05372630     -7.11752748
  H     11.07535308     10.61211421     -9.21358461
  O     16.72029618      6.37358914    -10.97141321
  H     15.55231110     10.21137111     -7.70618583
  H     16.16859654      9.52141497    -15.37426336
  O     13.47703226      4.69927174    -10.94795701
  H     16.42605683      5.80082444    -11.69092515
  H     15.69769318      9.06525117    -13.97323328
  O     18.46609977      7.63542440     -9.15065502
  H     16.08988229      6.25275713    -10.24542373
  H     17.60853209     10.38125516     -8.51996806
  O     16.79040005      7.13554700     -7.06498367
  H     13.93252428      5.01649955    -10.15884944
  H     18.89954593     11.09145318     -8.99532399
  O     15.91916795     10.96300030    -10.87180681
  H     14.12864630      4.71384285    -11.65955002
  H     15.50196197      6.30719365     -8.15287593
  O      9.62275026      7.65169211    -10.98716881
  H     18.02809496      7.19252479     -9.88983374
  H     14.18266091      6.69066027     -8.86429694
  O     14.09465739     10.43649856     -8.83540009
  H     18.46357695      8.58089099     -9.34274545
  H     12.72519681     11.14005952    -12.66758664
  O     13.23925553      8.18653017    -11.78985993
  H     17.46286594      7.28057222     -7.75527087
  H     12.42434436      9.79641482    -11.98982330
  O     10.93631233      5.22053174    -11.72422697
  H     17.24462494      6.76399120     -6.31305310
  H     11.09202851      7.64555888    -13.82625205
  O     14.32166404      6.66058106    -14.76103022
  H     16.77327315     10.94275710    -10.42197611
  H     11.37353293      6.24475977    -13.20577785
  O     11.59771306     11.35718488     -9.53545481
  H     15.24603781     10.84305726    -10.18546124
  H      9.41097822      9.64576790    -13.92621517
  O     15.38771936      9.33976687    -14.85552316
  H     10.04755232      6.80511447    -11.17297652
  H     10.67860493      9.78021086    -13.04975001
  O     18.20138462     10.50937972     -9.28401919
  H      9.65337293      8.16045107    -11.80598160
  H     10.00476726      8.45928929     -9.50464377
  O     14.91187266      6.05096959     -8.87219196
  H     13.80663168      9.51464788     -8.86538656
  H      9.65336531      8.79557727     -8.03498527
  O     12.01133444     10.63029348    -12.25937723
  H     13.29001901     10.95221418     -8.98602569
  H     15.76247457      4.16154277    -13.51590922
  O     11.71885993      6.91080800    -13.81580921
  H     14.16984332      8.29344175    -12.02511964
  H     15.08474506      5.54268981    -13.65819324
  O     10.03184469      9.14503575    -13.40372888
  H     12.81403704      7.67928630    -12.49056277
  H     14.96954259     11.53995323    -12.48693572
  O     10.33181113      8.89514831     -8.69730612
  H     10.46408990      4.39197044    -11.70747035
  H     14.68016003     10.94638701    -13.88489952
  O     15.45880098      4.91468064    -13.01545170
  H     11.83165891      5.03562187    -11.38873490
  H     12.03963552      8.17600876     -8.83870387
  O     14.38084903     11.60727028    -13.25004878
  H     14.62045095      7.56002710    -14.93594368
  H     12.97343777      7.94605246    -10.06365846
  O     12.92897844      7.90429015     -9.09473254
  H     13.36989106      6.71591775    -14.59731769
  H     16.31404942      7.89327943    -11.81774600
  O     15.94943858      8.63971987    -12.30889407
  H     11.65073855     11.24474550    -10.49381402
  H     16.00284001      9.43608335    -11.76114279
          69
 Ord_Energy   -249.496796    
 O   -8.75682449       2.32747293       8.90465069    
 H   -9.06326485       1.93915308       9.72029686    
 H   -7.80191803       2.15034723       8.85406303    
 O   -5.33289671       4.86414862       8.89937687    
 H   -4.85908508       5.37990093       9.54562759    
 H   -4.87716675       4.98981571       8.04673481    
 O   -8.77095509     -0.576680362       4.98201990    
 H   -8.62770939     -0.410594881       4.04162693    
 H   -9.17277527      0.222016990       5.34842014    
 O   -1.59942138      0.802730083       2.74928069    
 H   -1.90563381     -0.100483663       2.90162659    
 H   -2.40185809       1.33678639       2.67270899    
 O   -7.93499088      -4.99794185E-02   2.26061893    
 H   -8.00105476      0.923257291       2.25345349    
 H   -8.44941139     -0.363912642       1.52164268    
 O   -4.07836533       2.13678098       3.06050706    
 H   -3.83839822       2.35964036       3.97109294    
 H   -4.57132053       2.87951994       2.69250512    
 O   -6.11704493     -0.273921907       5.52707720    
 H   -7.05426502     -0.511836052       5.47150421    
 H   -5.74361992     -0.404144973       4.64680147    
 O   -4.19841528      0.527042389       7.30362463    
 H   -4.90708017      0.151792973       6.75729275    
 H   -3.40111852       2.51040198E-02   7.08228159    
 O   -9.74487019       3.86055136       4.12591600    
 H   -9.85941124       3.18582821       4.80874777    
 H   -9.48896503       4.65905619       4.60085535    
 O   -9.40423489       1.94097483       6.14289093    
 H   -9.42839909       1.99672210       7.10424042    
 H   -8.49376488       2.17927980       5.90931559    
 O   -8.10058022       5.01943731       8.13291073    
 H   -7.18564558       5.05647326       8.43736362    
 H   -8.45079803       4.17352867       8.43585873    
 O   -5.68346691       4.26178026       2.17469883    
 H   -5.53935623       5.00891972       1.60007811    
 H   -5.91217756       4.61663246       3.05213857    
 O  -0.586490750       1.56397331       5.14839935    
 H  -0.836567223       1.31699848       4.23972082    
 H   0.322949529       1.84694302       5.11925220    
 O   -8.06258488       2.62186456       2.29361200    
 H   -7.29789639       3.19015455       2.16101432    
 H   -8.67289162       3.09711742       2.87635517    
 O   -2.86285257      -1.64419580       3.52631164    
 H   -2.82602119      -2.54701734       3.21957850    
 H   -3.73206306      -1.29817891       3.26391983    
 O   -3.15243483       2.59068918       5.67524433    
 H   -2.22355986       2.35060191       5.56359577    
 H   -3.54812098       1.91862547       6.24653339    
 O   -6.67137527       2.45148492       5.80820513    
 H   -6.46243525       1.54840267       5.53607702    
 H   -6.45342588       2.49575901       6.74834442    
 O   -6.02868128       2.18090034       8.56004524    
 H   -5.65865469       3.04637337       8.78003120    
 H   -5.30949736       1.58906186       8.29768181    
 O   -5.21725035     -0.368975043       2.89400721    
 H   -4.86578178      0.535075426       2.88362122    
 H   -6.13049984     -0.331153154       2.58166790    
 O   -8.71614170       6.05583191       5.70103359    
 H   -9.13286114       6.90508747       5.81852388    
 H   -8.54629040       5.70158863       6.59235287    
 O   -4.19487047       5.05184507       6.47625494    
 H   -3.73632360       4.24271870       6.21041250    
 H   -4.89420843       5.18080854       5.82248402    
 O   -2.02496076     -0.721309006       6.15890217    
 H   -1.40743721      -2.15570796E-02   5.91371584    
 H   -2.31491852      -1.11360824       5.32627058    
 O   -6.36475468       4.94673109       4.69892979    
 H   -6.48427248       4.04449177       5.03845930    
 H   -7.14566135       5.44684458       4.96523285    
          69
 Energy    -249.49656358466422     
  O     14.38477604     11.70968093    -11.99353743
  H     15.02229531     11.50991923    -11.29999927
  H     18.98206606      4.16118594    -14.46686341
  O     15.11453273      6.71435044    -15.24912936
  H     14.88240115     11.66084905    -12.82376592
  H     18.97036542      9.55168954    -11.72921958
  O     15.59607314      5.60004880    -10.84404223
  H     15.43498165      7.43518047    -14.68233939
  H     18.63374689     10.68380857    -12.73337466
  O     19.75378758      7.82382298    -11.61679057
  H     15.26157322      5.90075947    -14.74971335
  H     15.94572455      8.48087141    -12.68101959
  O     14.52369605     10.46890138    -16.42750682
  H     14.70023986      5.37458319    -10.56856285
  H     16.06822944      9.51069126    -13.84113608
  O     12.77595110      5.51148558    -10.48031157
  H     15.62162838      6.56999216    -10.84693961
  H     12.81399358     11.05484549    -12.18088144
  O     12.50896915      6.85638109    -14.26379410
  H     20.62696282      7.73799074    -11.24228159
  H     11.27993275     11.25837182    -12.13225087
  O     15.35514254      8.31146067    -10.98981990
  H     19.25853472      7.02941695    -11.34880739
  H     12.68154096      4.56599179    -12.19621405
  O     18.44786855      9.12509794    -16.30199370
  H     14.93636050      9.71531482    -16.86147115
  H     13.67568023      4.23031378    -13.32238202
  O     18.60999521      7.35011175    -14.13579346
  H     13.70043078     10.15360576    -16.02315629
  H     12.18867072      8.63665604    -14.85865672
  O     15.97361015      8.15834725    -17.41659859
  H     12.13308880      5.40691418     -9.78315865
  H     12.13773294     10.00625172    -14.16658851
  O     18.36028286      4.61880345    -13.90707256
  H     12.66329009      6.41113114    -10.82969839
  H     18.45621410      5.04209939    -12.00202718
  O     18.55065995     10.41676343    -11.81040842
  H     13.35938167      6.86461260    -14.72427253
  H     17.47176894      5.45617032    -10.89521121
  O     16.19336465      8.58209680    -13.60828881
  H     12.39056829      5.94532140    -13.96056806
  H     16.50416018      4.42213829    -13.68840956
  O     11.95587632     10.61020581    -12.30922676
  H     15.62936689      9.15410563    -10.60837514
  H     15.57982189      4.95913358    -12.57829709
  O     12.73463404      4.33936203    -13.13246674
  H     14.40802014      8.34142970    -11.18854716
  H     18.62581590     10.51366898    -15.24653816
  O     12.29333880      9.58279117    -15.01818040
  H     17.64080125      8.86133491    -16.76007861
  H     19.27327961     11.88518090    -14.94979452
  O     18.40013887      5.50527830    -11.15749904
  H     18.64546713      8.41200564    -15.67973025
  H     12.65193840      7.60947779    -12.61915092
  O     15.57964449      4.60140803    -13.47798497
  H     17.75659180      7.78062441    -13.96817789
  H     12.33019493      8.89227060    -11.81619161
  O     18.68231273     11.22926771    -14.58899935
  H     19.15960391      7.54971095    -13.36765627
  H     17.18230689     10.70176560    -10.78020043
  O     12.68571460      7.99795477    -11.73184508
  H     15.77827370      7.75532114    -18.25922915
  H     16.69902108     11.16454581     -9.38523429
  O     16.40004341     10.77877246    -10.20396297
  H     15.64314734      7.55056971    -16.73406771
  H     16.82136277     11.43904346    -14.43904910
  O     15.88889304     11.28461387    -14.25338409
  H     18.45234428      5.56777707    -14.09946742
  H     15.42701776     11.10576999    -15.08902064
          69
 Energy    -249.49608095685369     
  O     13.73773095      6.33051070    -17.44293144
  H     13.61710745      6.13482590    -18.37025543
  H     15.28807791      6.28221539    -10.97417509
  O     13.84970610      5.66205384    -11.88101938
  H     13.32337028      7.19283591    -17.28923109
  H     14.68623317      7.94952053    -14.01328717
  O     18.14664725      4.97794807    -11.12283465
  H     12.93840045      5.47354255    -11.62876366
  H     13.86873093      8.82827878    -13.06045462
  O     12.78908362      4.18708607    -15.68185717
  H     13.83589668      6.48669872    -12.39369563
  H     15.08672011      9.75968913    -15.47603961
  O     12.55234659      8.84732536    -17.01329145
  H     17.44377952      5.55736773    -10.79709793
  H     14.06986441     10.60124305    -14.68704025
  O     14.98345961      9.13710139     -9.69399143
  H     18.76791830      5.54701509    -11.59198925
  H     10.91931812      5.19936123    -12.41412847
  O     19.65165292      6.65009966    -12.94587001
  H     13.05529753      4.88322254    -16.29222814
  H     10.54301543      4.70406688    -10.99469706
  O     11.41273077      7.92409413    -14.54975905
  H     13.54649320      4.04158986    -15.09937285
  H     10.85223772      8.19388285    -12.73777420
  O     17.41493498      3.11805010    -12.95494668
  H     12.12038155      9.40825307    -17.65230985
  H     10.87780040      7.21499413    -11.54903772
  O     18.53837812      5.00956163    -14.79317240
  H     13.17441639      9.41488197    -16.52256587
  H     14.59244088      4.64068683    -13.17319548
  O     16.06151375      5.81778418    -15.90422237
  H     15.51008502      9.77956994    -10.18413404
  H     15.77351051      3.71291138    -13.57912403
  O     16.04695446      6.76482424    -10.61837954
  H     14.06347952      9.36001745     -9.88085452
  H     11.38749144      4.74294730    -14.66711655
  O     13.94189969      7.92654485    -13.39990708
  H     20.59359193      6.71065268    -13.07788527
  H     10.83479985      6.14619242    -14.36257664
  O     14.30882956     10.32680350    -15.58098230
  H     19.30147845      6.09283415    -13.66464983
  H     11.79442739      9.32824616    -10.92462825
  O     11.09632156      5.32310729    -11.46202650
  H     12.29589650      7.84442835    -14.15702278
  H     11.78856962     10.51280390     -9.93324406
  O     10.85264180      8.15335007    -11.77309467
  H     11.56746238      8.27644875    -15.43132417
  H     16.29441446      7.51095096    -15.34198844
  O     15.01030254      4.19300351    -13.92242312
  H     17.68287187      2.24482440    -12.68239354
  H     16.73914586      8.38729975    -14.13070160
  O     10.74649467      5.21609851    -14.11763472
  H     17.65654486      3.72634989    -12.23332169
  H     14.80399292     10.78092944    -12.38816824
  O     12.35555894     10.00792761    -10.51030590
  H     18.21715388      4.26009288    -14.27548747
  H     13.31565094     10.59338187    -11.99458202
  O     16.22910885      8.39353619    -14.95154622
  H     17.79330115      5.29410209    -15.33728645
  H     16.92861734      9.91409735    -11.92089980
  O     13.91644487     10.65078740    -12.74936119
  H     15.68754240      5.26473992    -15.20073633
  H     17.16641385     11.37944176    -11.48888322
  O     16.48844946     10.71700749    -11.59455588
  H     15.34991321      5.96852801    -16.53764706
  H     18.30789840      7.83843669    -12.61187155
  O     17.47723173      8.30345457    -12.45030617
  H     15.68790773      7.53234233    -10.15014138
  H     16.94989024      7.74401039    -11.86045893
          69
 Energy    -249.49604001996036     
  O     14.22680331      2.93963069     -9.96125699
  H     14.65969010      2.07903829     -9.90436476
  H     14.22834005      8.74927579    -11.10478428
  O     12.39442172      2.29833390    -11.97282557
  H     14.84816478      3.53603608    -10.40664642
  H     13.45926288      6.79957312    -11.54588480
  O     16.41353478      3.30182686    -13.70997890
  H     12.98870653      2.55175126    -11.25120107
  H     13.42092106      6.33979806    -13.02947640
  O     16.58115551      5.41647329    -15.53835347
  H     11.77430966      3.02783990    -12.09376287
  H     12.14541606      5.17195282     -8.84923130
  O     10.73382323      7.99115807    -11.12992575
  H     15.52259886      2.98730664    -13.92526427
  H     13.39951337      4.25683410     -8.93800649
  O     13.30771203     -0.36498741    -11.85049561
  H     16.61429863      4.00117924    -14.34484465
  H     15.53584410     -0.06543962    -13.81193117
  O     15.37261790      0.38554675    -10.23751817
  H     17.18600575      5.64688331    -16.23852058
  H     15.05649996     -1.00807054    -14.94374816
  O     15.60953204      7.69906388    -14.44811068
  H     16.30527570      6.25327261    -15.12311870
  H      9.64897899      5.11072740     -9.31002116
  O     15.92547507      8.95256230    -11.89380679
  H     10.56931150      7.28272829    -10.49678559
  H     10.58800821      5.13777576    -10.53719208
  O     12.91952159      6.96721740    -14.65189749
  H     11.63479713      8.29534754    -10.95369275
  H     15.00140091      5.16450287    -11.69806008
  O     13.79071184      4.69164810    -15.86712847
  H     12.80572865      0.46002451    -11.90618641
  H     16.13030821      4.20663797    -12.17010524
  O     13.46217947      8.40555902    -10.62701777
  H     13.68600255     -0.50449771    -12.72777838
  H     14.09271779      1.39750617    -14.50093101
  O     13.51111364      6.02410305    -12.11911228
  H     15.61328270     -0.28643628     -9.60495946
  H     13.33038961      2.34488253    -13.54166749
  O     13.04524776      5.05454382     -8.52364248
  H     14.62692287      0.03115711    -10.75473286
  H     16.42778082      0.65586477    -11.86560786
  O     14.75524095     -0.35412407    -14.31950505
  H     14.65472629      7.63735924    -14.59011299
  H     16.82199877      1.59037070    -13.04111713
  O     10.44967433      5.50505490     -9.64843283
  H     15.73355466      8.13485401    -13.59754427
  H     11.98324554      5.09777647    -12.12359284
  O     15.78828660      4.68040044    -11.40127653
  H     16.28261936      8.26935548    -11.29734486
  H     10.63269250      5.32037355    -12.82121401
  O     13.86899547      2.32338585    -14.34442849
  H     16.50484928      9.70722928    -11.82684299
  H     14.55738685      7.54162251     -7.36173079
  O     16.74810128      0.66349292    -12.77543428
  H     11.97600034      7.02768594    -14.46841691
  H     14.01215545      6.45671992     -8.32059954
  O     11.08931287      4.72692600    -12.21413917
  H     13.08679817      6.15629972    -15.16082876
  H     16.04592047      7.07434061     -9.41620509
  O     14.52136315      7.28683663     -8.27945605
  H     14.73632706      4.88106157    -15.90119586
  H     16.51399435      6.14421570    -10.55462008
  O     16.66315861      7.01317047    -10.15576668
  H     13.70978794      3.83518543    -15.42727333
  H     10.39804915      7.45037097    -12.77518448
  O     10.24859110      7.02409971    -13.63874558
  H     13.78083642      8.11866550     -9.76008733
  H      9.45965476      7.41392890    -14.00537198
          69
 Energy    -249.49600628993400     
  O     12.38036198     12.97792392    -11.79869918
  H     11.85396567     13.37213171    -11.10735473
  H     17.36692300     12.87961752    -16.00471989
  O     19.77070521      6.48445012    -13.11427839
  H     12.39325595     12.02680176    -11.61363007
  H     13.27701951      9.63301397    -14.59786101
  O     18.33367946     10.62658947    -12.32744331
  H     20.00456696      7.07313198    -13.85444824
  H     12.64024878     10.29935791    -13.36203278
  O     15.61205710      6.98166524    -12.94659029
  H     20.56160541      6.00532209    -12.88247758
  H     15.39691324     10.19699728    -13.80365629
  O     13.64825161      7.52518764    -10.94718927
  H     18.35713463     11.32207127    -11.66099591
  H     15.36633418     11.71982974    -13.44319905
  O     17.47374866      5.68337070    -14.63753732
  H     17.46323115     10.71355319    -12.75326725
  H     12.57383598     12.62644895    -16.46614935
  O     14.47112979     13.33937965    -13.58297690
  H     16.38406283      7.35156089    -12.49256646
  H     12.98319451     11.60835471    -15.37634937
  O     17.04707493      9.43176011    -16.42861700
  H     14.87240966      7.04528632    -12.33127189
  H     16.66607253      8.18515478    -10.22302398
  O     17.89012570      7.96764389    -11.65057734
  H     14.41886588      7.79854568    -10.41546100
  H     15.78476050      9.38937945     -9.84032515
  O     16.03250049     12.05647120    -16.75678946
  H     13.17300574      6.87877951    -10.43125575
  H     19.99224358      9.00230509    -15.21774291
  O     18.16999343      6.92703718    -16.94826707
  H     18.25242446      5.79780983    -14.07809824
  H     19.64632631      7.69469272    -15.96262687
  O     18.16382869     13.23615317    -15.57159739
  H     16.72364866      5.97958276    -14.10656521
  H     16.16394064     13.94549807    -13.18926872
  O     12.60213524     10.27280026    -14.32387662
  H     14.06822459     13.17242248    -14.44405499
  H     17.55103518     13.78826765    -13.83672602
  O     15.79474298     10.87649403    -13.24812381
  H     13.75594417     13.30623698    -12.93142021
  H     18.17839574     13.44764714    -10.08028370
  O     13.30864483     12.34092517    -15.93005235
  H     17.74932866      9.82820550    -15.89398564
  H     17.51934600     13.31680355    -11.47333459
  O     15.88218865      8.43509290     -9.71656043
  H     17.39117155      8.58965188    -16.75173373
  H     18.94969869     11.56351641    -15.22295212
  O     20.21583628      8.06409113    -15.27647058
  H     18.11186830      8.88939358    -11.84370968
  H     19.00027068     10.61946414    -14.00601739
  O     17.11197123     14.02015645    -13.01005862
  H     18.58664260      7.42614849    -12.04187851
  H     12.98577824      9.31157136    -11.28429233
  O     17.72249346     12.83486295    -10.65019779
  H     15.09171079     12.11054070    -16.55351650
  H     13.71509805     10.62583143    -10.97505208
  O     19.13653408     10.65263769    -14.96389947
  H     16.26158045     11.11870476    -16.79554621
  H     15.53509355     10.92004645    -11.47973843
  O     12.91793979     10.26735055    -11.39331087
  H     18.19425211      6.30929239    -17.67366712
  H     16.13067610     11.75157007    -10.34203018
  O     15.45099503     11.09462944    -10.52827455
  H     17.86186981      6.43330293    -16.16679997
  H     15.58652223      8.95460701    -15.48109488
  O     14.85107476      8.80218415    -14.87265618
  H     18.52752714     13.88763107    -16.16605874
  H     15.10798506      8.09313639    -14.26732674
          69
 Energy    -249.49571470046143     
  O     15.75134425      9.37269715    -15.42307885
  H     15.24919260      8.66877533    -15.82474203
  H     18.94701888      9.72865782    -16.47701889
  O     19.72219501     14.62108615    -16.77642661
  H     16.57487477      9.45715009    -15.93602256
  H     16.09734725     11.91674876     -8.44207007
  O     20.73882516      9.84754194    -15.82585424
  H     19.80820233     14.93765268    -15.86164278
  H     16.93540091     11.31543430     -9.59666634
  O     18.37681270     13.78524402    -10.40395215
  H     19.82635955     15.38398502    -17.33987543
  H     21.09154824     16.04647385    -11.17682267
  O     14.84174871     13.98743882    -13.54751321
  H     21.36503687      9.13584072    -15.94138722
  H     22.31446317     15.75827401    -12.05877918
  O     17.91197651     10.07142721    -10.31461340
  H     20.82421694     10.13961678    -14.90376943
  H     19.57048606     12.33737082    -10.70984406
  O     14.89211219     11.79277042    -11.71178286
  H     17.67054543     13.29674844     -9.96215889
  H     21.04668730     12.03917868    -10.40261922
  O     22.08124948     13.42187861    -14.16199206
  H     18.05221287     14.04510222    -11.27747300
  H     16.28740838      9.63965990    -13.66184130
  O     20.42873755     15.37335300     -9.53476761
  H     14.08822367     14.54239068    -13.72914988
  H     15.93472328     10.57528620    -12.46469745
  O     20.94101551     11.03116160    -13.33352154
  H     14.91041684     13.35767346    -14.28871535
  H     21.27247396     11.60670201    -16.57834956
  O     15.17896977     12.22205064    -15.57084707
  H     17.55671655      9.88310979    -11.19397787
  H     20.95950584     13.09913894    -16.87830860
  O     18.04723424      9.84811997    -16.80306495
  H     18.80756506     10.41184690    -10.43633525
  H     23.21157052     13.99166120    -12.92435134
  O     16.43442699     12.10345665     -9.31397637
  H     15.29852666     12.02842384    -10.86911679
  H     24.59885965     14.46581101    -12.43398562
  O     21.47080782     16.22649266    -12.04636401
  H     14.81873389     12.60284165    -12.23019536
  H     20.44566597     15.74203846    -13.42189321
  O     20.23587831     11.63810172    -10.74901174
  H     22.11037632     13.11390266    -15.07992323
  H     19.08744379     15.03851264    -13.71795392
  O     16.62813540     10.00578529    -12.83694697
  H     21.33209640     14.02953409    -14.09341643
  H     21.76975214     13.98732480     -9.67085561
  O     21.67255306     12.47754480    -16.68631880
  H     20.18033804     15.85749882     -8.75149094
  H     22.88389691     13.57031498    -10.64142483
  O     23.68434609     14.39110029    -12.17408632
  H     19.65809091     14.83843901     -9.79047392
  H     19.25266042     11.58984954    -13.70462520
  O     19.94493773     15.26556270    -14.10165670
  H     21.42711213     11.83363730    -13.57168074
  H     17.75141873     11.20646618    -13.52444761
  O     22.31776249     13.23725023     -9.93440308
  H     20.74008291     11.10325103    -12.38964265
  H     18.36025055     13.34815393    -16.70424773
  O     18.34999850     11.87754703    -13.88184978
  H     15.20308801     11.26217606    -15.48994210
  H     18.00560574     12.33533422    -15.58677944
  O     17.78122708     12.60876655    -16.49133099
  H     15.99420142     12.46148371    -16.03384924
  H     16.62430519     14.37179408    -13.16900805
  O     17.57021052     14.31625880    -12.98921395
  H     17.94867937     10.80274324    -16.92600428
  H     17.84970501     13.43518962    -13.28865969
          69
 Energy    -249.49561543447498     
  O     15.73948734     11.58144305    -15.39740549
  H     15.58092428     12.51548137    -15.28851609
  H     20.70840425      4.42160132    -15.40084162
  O     13.65087429      5.29824775    -16.13551206
  H     14.87032312     11.14110631    -15.37138345
  H     18.18671860      8.50073492    -16.12224601
  O     18.06481919      7.83701291    -12.15112044
  H     12.94126879      4.70012123    -16.35454133
  H     19.40294728      8.28162774    -17.04794678
  O     19.81351366      6.77502214    -17.97211197
  H     14.46198156      4.93515864    -16.53526163
  H     16.62096116      8.33316284    -14.70476523
  O     17.22646400      6.13182612    -19.14908544
  H     17.54466005      8.57116039    -12.50734860
  H     15.83537646      7.81752181    -15.93267761
  O     14.01863003      8.47795551    -10.01217727
  H     18.85029520      7.76832770    -12.71332186
  H     13.42120823      9.73210709    -14.35204272
  O     14.14004867      6.07236715    -13.41348677
  H     18.97548085      6.46376320    -18.33271350
  H     13.61158901      9.39176037    -15.84302540
  O     16.42079482      9.64267237    -13.44067111
  H     20.04634282      6.17634843    -17.25028049
  H     15.88206453      4.08387581     -9.26109504
  O     17.59847458      5.16599508    -15.05907983
  H     17.36258792      5.88800321    -20.06291321
  H     15.00313800      5.05151398    -10.09211376
  O     13.48776060      5.73399089    -10.66709829
  H     16.74679455      6.97450335    -19.15767620
  H     14.61234868      8.04927011    -17.70481697
  O     15.98199716      4.47471436    -17.19775165
  H     13.77256252      9.01459181     -9.26376052
  H     13.92844671      7.04231734    -16.70809582
  O     20.27288660      5.24583658    -15.60190022
  H     14.95658195      8.24245684     -9.89352608
  H     20.28960850      6.87096420    -14.48468605
  O     18.99961067      8.92071107    -16.44161212
  H     13.96842872      5.76632048    -14.31045531
  H     19.83263919      8.29628234    -14.79424992
  O     16.66732375      7.72455418    -15.45401098
  H     15.05250152      5.83906272    -13.19001503
  H     17.20466419      6.25923651    -12.37786383
  O     13.46172404     10.12758972    -15.23288399
  H     15.52324876      9.40421034    -13.16466395
  H     16.53796347      5.07847321    -11.61556893
  O     15.92218202      4.80847862     -9.87858100
  H     16.34152685     10.39560119    -14.03828908
  H     17.21596789      7.75273341    -10.46703455
  O     14.21713014      7.95609186    -16.82947514
  H     17.32653513      6.07624970    -15.25933292
  H     16.49089132      6.65370952     -9.66086920
  O     20.05332306      7.70479107    -14.06351692
  H     17.35011777      5.02661353    -14.13561930
  H     16.57416595     10.86315035    -16.94199278
  O     16.72379705      5.42542834    -12.49550307
  H     13.50079978      6.65605222    -10.38020244
  H     17.82280452     10.03798903    -17.31815351
  O     16.58092083      7.61014975     -9.75268411
  H     13.53152429      5.75908798    -11.63234093
  H     13.82788253      8.77666767    -11.82793078
  O     16.99904888     10.40064003    -17.67394938
  H     16.39211457      4.97357745    -17.91434971
  H     13.91569507      7.84143375    -13.06274445
  O     13.87162907      8.77029110    -12.79220310
  H     16.58863568      4.54765629    -16.44691823
  H     15.39196733      8.94038148    -19.90703713
  O     15.76029851      8.51653603    -19.13607021
  H     19.33008626      5.12415467    -15.39574724
  H     16.22014942      9.21302336    -18.63051968
          69
 Energy    -249.49519064637661     
  O     11.62251052     10.70151797    -13.48233717
  H     12.01619660     11.48973736    -13.09071112
  H     15.15925767      7.40034721    -16.74371089
  O     16.35338387      7.35518956    -14.08202812
  H     12.03729750     10.59797211    -14.34972154
  H     20.56935338      9.11798058    -14.66627112
  O     17.47545198     10.22144069    -11.02717821
  H     16.25634410      7.10513615    -15.00815381
  H     19.31971768      8.77640699    -13.82346594
  O     17.30395426     13.52798878    -14.63627438
  H     15.75083619      6.83860594    -13.53052007
  H     15.42540372     13.66307045    -14.52888591
  O     13.53501385      7.66093734    -16.32329184
  H     16.63549381     10.58750363    -11.34328938
  H     14.21330255     13.43740680    -15.45802158
  O     16.38485942      8.32491378     -9.32769497
  H     17.23473909      9.65305204    -10.28153133
  H     16.23930422     10.17179794    -15.16536580
  O     14.92287643      6.15897158    -12.05825800
  H     17.82032810     14.32674805    -14.55859254
  H     15.69234764      9.05467190    -14.27383388
  O     15.00887847     10.94343757    -12.00343505
  H     17.75127079     12.85923322    -14.08990668
  H     10.56953064      8.29984574    -11.75903987
  O     16.66721039     12.25256668    -17.09759366
  H     13.21680882      7.23507184    -15.51366835
  H     11.47512128      9.24710532    -12.58260791
  O     17.46711165      6.02298187    -10.73541754
  H     13.25745183      8.58392686    -16.27384156
  H     12.23006930      7.18310534    -13.32382335
  O     17.56372596      9.69150845    -16.49781129
  H     15.49345371      8.37789888     -9.69816200
  H     13.41083713      6.20758951    -13.27910856
  O     16.11589431      7.24237730    -16.86111295
  H     16.73235161      7.47271963     -9.61407960
  H     18.33047882     11.24978740    -12.36731654
  O     19.63783553      9.30400103    -14.57428905
  H     14.60338353      6.97816317    -11.64732638
  H     19.04234688     10.92989477    -13.69839673
  O     14.46207432     13.71258837    -14.56786287
  H     15.71321246      5.90604825    -11.56769145
  H     17.69034539      7.77441516    -13.07002205
  O     15.56517115      9.98601022    -14.50249158
  H     15.19868462     10.70381119    -12.92341367
  H     18.10867999      8.79228791    -11.95867447
  O     11.46105493      8.41434453    -12.07626218
  H     14.35710911     11.65303152    -12.02341674
  H     13.75750998     13.14547626    -18.00631737
  O     12.75862053      6.59296033    -13.87533997
  H     16.97305297     12.72088686    -16.31008309
  H     14.95914600     12.51509213    -17.26109673
  O     18.62169566     11.63994637    -13.20132851
  H     17.05397728     11.36805557    -17.05388141
  H     13.09402108      8.48485602    -11.19652558
  O     18.40878300      8.02108186    -12.46292086
  H     17.92858276      6.65297123    -11.31174931
  H     14.34531537      9.38551068    -11.29553110
  O     14.00193372     12.69001151    -17.20554658
  H     18.11770775      5.38636355    -10.44935007
  H     13.53647862     13.25885694    -13.19652646
  O     14.02388257      8.54448246    -10.94175820
  H     18.31359564      9.50262606    -15.92011496
  H     12.76061022     13.67866316    -11.92346612
  O     13.06615154     12.91993798    -12.41250289
  H     17.13001410      8.85258477    -16.70129849
  H     13.96830582     10.26062092    -15.32037238
  O     13.14390289     10.40299844    -15.81008746
  H     16.20258137      6.58004133    -17.54062646
  H     13.30451403     11.16318542    -16.38142022
          69
 Energy    -249.49518196926664     
  O     15.71266643      9.55231329    -16.05520870
  H     16.36164945      9.92775994    -16.67734571
  H     15.06243725     11.27117886    -15.43830921
  O     19.09223226     15.41844050    -16.12721280
  H     15.16233681      8.95757800    -16.55786734
  H     17.39126967     11.73023022    -17.38957479
  O     21.33917964      9.21522481    -14.69141202
  H     19.21319186     15.56028734    -15.17402743
  H     18.47516707     10.65265470    -17.51305752
  O     18.83027054     13.28355146    -10.15478613
  H     19.13664258     16.27880838    -16.53796561
  H     17.35225036     10.54798618     -8.47834918
  O     14.81405536     12.97150595    -12.58941407
  H     20.77308362      8.67631924    -14.12732609
  H     18.30372641     10.36161368     -9.68470600
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  H     21.46069397     10.03344909    -14.18926540
  H     21.94954598     12.64493257    -10.63910685
  O     15.90938868     10.51286722    -11.64037035
  H     18.36514166     13.44462109    -10.98829450
  H     20.44160387     12.44765103    -10.35023241
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  H     16.64373360      9.28745685    -14.48042582
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  H     13.98900840     13.41036403    -12.40255064
  H     20.95557722     12.59106224    -16.62865585
  O     21.09111963     11.61565980    -13.24486525
  H     19.73488000      9.09539450    -11.18785791
  H     20.50643797     14.07209474    -16.53326687
  O     14.94682308     12.18720360    -15.16167285
  H     20.41482167     10.24867122    -10.39006381
  H     18.67982280     14.91030050    -13.17171685
  O     17.52903311     10.80505577    -17.63371916
  H     15.46268725     11.33879838    -11.86074355
  H     19.78378892     15.75069033    -12.51407342
  O     17.55814889     10.88997910     -9.34448881
  H     16.40381495     10.67039606    -10.82679764
  H     23.81147381     14.43395622    -11.24547825
  O     21.26968636     11.97133909    -10.51587713
  H     20.64262927     10.16215531    -16.12019511
  H     22.67706696     14.19942923    -12.26709001
  O     17.20650948      9.32946854    -13.69768681
  H     19.51168932     11.15213636    -15.87265292
  H     19.32216812      7.13119400    -12.68998102
  O     21.26746483     13.48648083    -16.44686108
  H     21.86502788     13.97704560    -14.84025411
  H     18.64567911      8.44475169    -13.13825869
  O     19.42480072     15.49379873    -13.37607949
  H     21.06291723     14.66017657    -13.70549854
  H     19.45379147     11.61921621    -13.87032849
  O     22.89781733     14.16994010    -11.32090385
  H     21.31856643     15.22565491    -10.83633432
  H     18.10053165     10.83972446    -14.06176702
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  H     19.87468860     14.92433000    -10.39795684
  H     17.81810459     14.05875599    -16.29215831
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  H     15.64274402     12.68781320    -15.60949041
  H     17.85457092     12.89691650    -13.12170537
          69
 Energy    -249.49491723380825     
  O     -3.57273337     -1.66225102      0.95853408
  H     -3.92309217     -0.75705395      0.95526915
  H      2.81273794     -0.78161066      2.97275285
  O     -0.96896711      2.35580520      2.33328277
  H     -3.37108322     -1.84214095      0.03102780
  H     -0.17227611     -2.31370202     -0.01590812
  O      0.01469209     -1.67621771      4.51334855
  H     -1.77586398      2.85688095      2.16383550
  H     -1.04008796     -3.58140277      0.14756011
  O      2.22974282     -3.07404371     -1.04569448
  H     -1.23365565      1.43256907      2.45253588
  H     -0.79183959     -0.55404079      1.96809582
  O     -2.27602485      0.79214434     -1.66415007
  H      0.77877969     -1.09960171      4.62883025
  H     -2.31203681     -0.72306336      2.12865724
  O     -4.04578746      0.97144174      0.57605018
  H     -0.62019137     -1.17665403      3.98218223
  H     -1.91096491     -2.39346195     -1.45566753
  O     -2.04881019      3.57562501     -1.02857522
  H      1.27494407     -3.21867216     -1.04751860
  H     -3.07142769     -2.58230956     -2.46147849
  O      0.52107219      3.04564935      0.06302058
  H      2.52097003     -3.36129461     -0.17144104
  H     -2.83900343     -4.70540330      1.80362889
  O      2.87396372     -0.61462019     -2.06164130
  H     -1.30778072      0.77271965     -1.64283732
  H     -2.74899815     -3.19664846      1.50224408
  O      0.48832492      0.75268580     -1.44524290
  H     -2.54088952     -0.11746305     -1.84357171
  H      2.14650528      2.67983206      2.74538781
  O      0.46432244     -0.85898076      0.80475255
  H     -3.44479590      0.96862670     -0.18218181
  H      0.68727931      2.40979622      3.18208687
  O      2.96459476     -1.05253964      2.05774539
  H     -3.94377738      1.83882760      0.98041125
  H      3.26120188     -4.55368741      1.99186881
  O     -0.55258080     -3.06262701     -0.50378073
  H     -2.22872902      2.71008022     -1.41796505
  H      1.87490879     -3.87463585      2.09902650
  O     -1.53496361     -0.35787703      2.56249509
  H     -1.11143668      3.56627833     -0.79302509
  H     -0.52870675     -3.97978357      2.51080223
  O     -2.74744895     -2.01087384     -1.76978894
  H      0.00971561      2.77366765      0.84021483
  H      0.26709789     -3.14780390      3.53276773
  O     -2.22473473     -4.01052253      1.57878097
  H      1.40940618      3.25236893      0.37749070
  H      2.07324478      0.85093733      4.22109527
  O      1.60841637      2.32127740      3.46084878
  H      2.67586496     -1.49849047     -1.70512528
  H      2.82686749      0.15375836      5.37920560
  O      2.75382039     -3.80914052      1.68075887
  H      3.33144880     -0.75154389     -2.88722697
  H      3.61885490      0.38578991     -0.61422336
  O      0.35009181     -3.86403276      2.88407330
  H      0.64565628      1.59979400     -1.00100004
  H      3.64438041      0.16022979      0.90636582
  O      2.34488725     -0.01596729      4.57447451
  H      1.32530661      0.40037115     -1.77026304
  H     -2.91557706      3.70722487      0.50129408
  O      3.83508550      0.81622557      0.21995150
  H      1.33856102     -0.89211136      1.21188745
  H     -3.81412126      4.41446145      1.54437413
  O     -3.29700826      3.62805777      1.39438454
  H      0.49442054     -0.24608911      0.05877275
  H      3.81295423      3.83374104      1.13758936
  O      3.08096738      3.22413537      1.16662293
  H      3.00906259     -2.01659122      2.02321696
  H      3.40285537      2.37710926      0.80728899
          69
 Energy    -249.49479482630417     
  O      2.81760377     -0.43770784      5.63773544
  H      2.34982278      0.38754688      5.44760802
  H      0.36212673      2.52047580      0.07624485
  O     -0.58651901      1.63977630      7.01124630
  H      3.20889705     -0.74617577      4.80886453
  H     -0.72248941     -0.03113784      2.89381811
  O     -0.13994806     -5.14964654      4.24606723
  H     -0.66029477      0.89219374      7.62146788
  H     -0.38552956      1.34212160      2.23827409
  O      3.75393232     -4.52563543      6.69122865
  H     -1.37231177      1.59273847      6.45568904
  H      3.15650766      0.27679817      0.56916449
  O      3.74101594     -1.38123805      3.18428630
  H     -0.97745155     -4.67828623      4.17491935
  H      2.12305704     -0.86725545      0.46670741
  O      3.99133563     -4.03368203      4.06466492
  H      0.16431926     -5.02947956      5.15602393
  H     -2.03194125      1.11674900      4.26758936
  O      3.19155241     -2.00206632      7.92479142
  H      3.89651136     -4.35518379      5.74250138
  H     -3.37499808      1.66420764      4.80289954
  O     -1.06879804     -0.71708573      8.44710071
  H      4.40999221     -5.16364978      6.95758364
  H      1.96717432      2.58582104      2.11379366
  O      0.84044668     -2.77200890      9.02604188
  H      4.15009443     -0.63438511      2.72981132
  H      2.27470533      2.43220523      3.61591953
  O      1.73503768     -2.38921730      1.49224225
  H      3.02611097     -1.69358509      2.61204461
  H      1.29350804     -1.40507020      5.53894602
  O      4.53194076      0.89511302      1.77200671
  H      4.06252247     -3.11250032      3.78222119
  H      0.70810871     -2.82490013      5.78120575
  O      0.60111721      2.01191680      0.84637295
  H      3.32552551     -4.44002209      3.49678507
  H      1.14059903     -5.09234597      3.05856698
  O     -0.76099446      0.92718753      3.02501794
  H      3.52528077     -2.81963308      7.53511745
  H      1.90774049     -5.88258099      1.97393807
  O      2.31630419      0.02944377      0.16300433
  H      3.15112032     -1.35806269      7.20431128
  H     -2.43820490     -0.66431908      5.64017279
  O     -2.64650215      1.08808173      5.02007488
  H     -1.63355675     -1.10338589      7.76807367
  H     -1.21062604     -1.59622901      5.83097599
  O      2.68388956      2.61318635      2.75888114
  H     -0.42218993     -1.39836363      8.66702629
  H     -2.51144946     -2.87578640      4.75170849
  O      0.52399766     -1.96588255      5.38238432
  H      0.95990054     -2.95452144      9.95461614
  H     -3.42477499     -3.83929418      3.96046168
  O      1.88057930     -5.04404999      2.42748038
  H      1.68894463     -2.42168944      8.69793519
  H      1.90382341     -4.54948479      6.71624228
  O     -2.17640733     -1.55199717      5.91830923
  H      1.84464888     -3.33420172      1.65444838
  H      0.75533401     -3.96380294      7.56733897
  O     -2.52793881     -3.52172416      4.02466212
  H      0.87625482     -2.15977504      1.87641480
  H      0.57092929      1.39667207      4.27892834
  O      0.94799640     -4.40024399      6.72691002
  H      3.93579819      1.55486260      2.17090969
  H      0.68374459      1.77902885      5.76850568
  O      1.19841916      1.69084433      4.95163155
  H      5.35537741      1.33958404      1.59128164
  H     -0.08100605     -1.88704880      3.73187218
  O     -0.56233606     -1.82506518      2.88921102
  H      1.17381475      1.28639319      0.53792770
  H     -1.33057824     -2.39562505      2.99737625
          69
 Energy    -249.49419515399239     
  O     14.75377191      5.91217805    -13.97274626
  H     14.27088672      5.86059187    -14.80745079
  H     19.60354533      6.73697778    -14.68953306
  O     18.31517384      8.44801302    -11.97654210
  H     14.15918892      6.23204884    -13.27671626
  H     16.37273932     11.28208773    -16.15305338
  O     19.30924001     10.00154743    -16.18945484
  H     18.30243982      8.40588819    -11.01233716
  H     16.86482284     11.24995604    -14.67209812
  O     11.72719792      7.96535969    -15.66963053
  H     17.89558086      7.63446056    -12.29165661
  H     15.25684341      7.58938717    -14.40539034
  O     15.28269756      8.64234826     -9.07208304
  H     19.89763980     10.49584195    -16.75363157
  H     16.21578963      8.29345098    -15.39284340
  O     13.43960220      7.09538842    -11.86435213
  H     18.57192465     10.59586790    -15.96211758
  H     12.60014785     10.68939964    -13.80700106
  O     16.54246546     10.31382424    -13.03338850
  H     12.20846029      8.80094306    -15.69452582
  H     11.72081406     11.66774827    -12.99298209
  O     15.18611393      8.09256747    -17.93091786
  H     11.36159745      7.91231044    -14.77486046
  H     17.41382809      6.33218808     -9.75764596
  O     14.34170492      5.95340827     -9.47908616
  H     14.90467299      9.13202779     -9.81489801
  H     17.12419791      5.57696144    -11.07229142
  O     17.59416745      7.79362761    -16.54714438
  H     14.85474834      7.77744881     -9.07827990
  H     11.76787387      7.66284433    -12.53070503
  O     13.50756860      6.14183727    -16.50445289
  H     13.64343062      6.62799751    -11.04423930
  H     11.26285875      9.07177054    -12.87034762
  O     19.13432262      5.95312349    -15.03163204
  H     13.78145682      7.99476971    -11.76047950
  H     19.63529271      8.44493564    -13.29094552
  O     17.12701064     11.45801788    -15.57863153
  H     16.16087345      9.65939272    -13.64198844
  H     19.94224088      8.95488442    -14.72439247
  O     15.53647755      8.45493418    -14.72603354
  H     17.25771611      9.83897411    -12.58900367
  H     16.41799965      5.84839121    -13.26207209
  O     12.17301777     10.82940287    -12.94447907
  H     16.08223635      7.88758756    -17.62868490
  H     17.93196388      5.81698257    -13.59981928
  O     16.94819427      5.56932689    -10.12163345
  H     14.61239761      7.45025968    -17.49749558
  H     17.00410920      8.37717910     -9.12603298
  O     11.05659506      8.13637011    -12.98248048
  H     14.03183237      5.28447841     -8.87504102
  H     18.38466481      8.38464997     -8.42562181
  O     20.15847733      8.26524378    -14.08459720
  H     15.26345221      5.72952082     -9.70188199
  H     15.05965500      9.84488206    -17.70001571
  O     17.30147599      5.96192739    -12.88419428
  H     18.05120095      7.05749946    -16.12256563
  H     14.95357658     11.25062621    -18.33303061
  O     17.93852098      8.11891880     -9.22480152
  H     18.20568648      8.54183439    -16.53039090
  H     15.08683775     10.04605697    -11.94674514
  O     15.02716225     10.79691008    -17.49758504
  H     13.08966915      5.47061731    -17.03794530
  H     13.54584101     10.21177478    -11.84585268
  O     14.30201332      9.74595269    -11.46803499
  H     12.80444722      6.76075007    -16.23270719
  H     13.80943403     10.59951435    -16.08843130
  O     13.45349840     10.19099226    -15.29107172
  H     19.79885552      5.31527228    -15.27696059
  H     14.11753069      9.53078107    -15.03932798
          69
 Energy    -249.49403335911342     
  O     16.85556931      9.12139685    -14.92016718
  H     16.38826923      9.22866533    -14.07912577
  H     12.54221909      8.44439199    -12.87908558
  O     14.96539038      8.03485750     -8.59008009
  H     16.42857986      9.69154745    -15.57314980
  H     12.28425056      9.21595078    -10.72965583
  O     15.55640258     10.92242576    -16.50522562
  H     15.70096203      7.96509496     -9.22316401
  H     10.81230316      8.80441983    -10.97013976
  O     13.27858566      6.43280536    -10.23893630
  H     15.33319468      7.89230998     -7.72192904
  H     19.99956481      6.35191872    -12.71083445
  O     17.04465827      6.39846882    -14.65886030
  H     14.66792020     10.90062865    -16.12799378
  H     18.98398797      5.85916872    -11.68002037
  O     19.44251339      9.38836054    -14.16217814
  H     15.96818297     11.73400418    -16.17981994
  H     16.92157468      6.92550825    -10.95937603
  O     18.74522024     12.08939194    -13.67675748
  H     13.81029762      6.90392721     -9.58615239
  H     17.67509233      8.26590439    -10.73970805
  O     19.21284771      9.00068569    -11.40780910
  H     12.66295026      7.08422395    -10.59534627
  H     15.31711593     12.91569597    -14.07008649
  O     14.44322489      4.54564015    -11.78112008
  H     16.12325291      6.09976391    -14.67605173
  H     14.02072472     12.08461992    -13.97825030
  O     13.07852277     10.79887587    -15.06794198
  H     17.00184431      7.34975153    -14.83813846
  H     18.85999031      6.41229236    -14.71072339
  O     14.36589091      5.89251116    -14.31998801
  H     18.52768798      9.37035784    -14.49009540
  H     20.23359055      6.06437320    -15.32073782
  O     13.16717051      8.43426787    -13.61533564
  H     19.80631335      8.52484125    -14.38502840
  H     15.93640132      8.63097727    -11.85003038
  O     11.70866309      8.60475155    -11.22573036
  H     18.58335060     12.02748066    -12.72855484
  H     15.44625734     10.07745544    -12.08045111
  O     19.82092694      6.33342530    -11.76179235
  H     19.15434856     11.25206298    -13.93004440
  H     17.50474919     12.78469207    -14.69543605
  O     16.86740107      7.78540470    -10.51690261
  H     19.27313331      9.21650601    -12.34981084
  H     17.10174337     13.96962973    -15.60117983
  O     14.60293776     12.66280570    -13.47135854
  H     19.55569662      8.09675893    -11.34372428
  H     15.12936339     12.10632704    -11.89251093
  O     19.81548101      6.57049960    -14.62830878
  H     14.00190756      5.20061581    -11.21133761
  H     16.35707833     11.70324045    -10.99519919
  O     15.54792957      9.21776228    -12.50919078
  H     14.04654506      3.70052582    -11.58751046
  H     16.23516919      5.03734367    -11.87338299
  O     16.77736196     13.15574328    -15.22487672
  H     12.21604506     10.92146551    -15.45766150
  H     17.09997227      5.80434511    -12.90330272
  O     15.40503529     11.60536284    -11.10694181
  H     13.05902090      9.93839840    -14.61958036
  H     18.79294473     12.00174016    -10.21381532
  O     17.08218070      5.48656082    -11.98896702
  H     14.28477164      5.38976316    -13.50034394
  H     18.63606029     10.65981668    -10.95703842
  O     18.27174555     11.55653111    -10.87884965
  H     13.86420900      6.70580645    -14.18583426
  H     14.06453612     10.73568532    -10.17406601
  O     13.42839933     10.11834590     -9.78864160
  H     14.02756713      8.66051939    -13.22752422
  H     13.94559639      9.49055527     -9.26898876
          69
 Energy    -249.49336221761885     
  O     13.83865242      8.24875098    -17.78654046
  H     13.31731141      8.50946210    -17.00604612
  H     19.03340336      8.36254538    -11.32958929
  O     16.13594982      6.79208287    -12.08024847
  H     13.24169504      8.24721100    -18.52975277
  H     17.68846995      8.34341816    -17.88044318
  O     19.78304451     11.28777244    -12.45312618
  H     16.11416595      5.84192301    -12.24442485
  H     19.14191316      8.01072074    -17.46243118
  O     20.49659490      8.70600194    -16.35597199
  H     16.38261390      7.20696726    -12.92177757
  H     17.70390343      7.55855380    -14.56515605
  O     13.85276402      5.12302102    -14.28946936
  H     18.83459517     11.47513689    -12.32649914
  H     16.28055109      7.30855145    -15.18041679
  O     15.68355738     10.11907777    -10.51114315
  H     20.26278046     11.99007614    -12.02315856
  H     12.26812172      8.21724026    -14.89692723
  O     13.90395738      8.46947521    -12.05761605
  H     21.36638120      8.96559952    -16.64651150
  H     12.89195699      9.62036628    -15.00488103
  O     16.40163744     10.48706649    -14.91585547
  H     20.07588709      9.50077366    -15.98045499
  H     12.66607071      6.24747118    -13.76665995
  O     18.09852895      4.62607902    -14.78832565
  H     14.54799250      4.67960535    -13.79159588
  H     11.21366485      6.51782863    -13.30156591
  O     19.42742086      7.03806219    -14.35339063
  H     14.29293249      5.49454148    -15.06814301
  H     19.52751552     11.02057879    -14.29985550
  O     16.17842779      4.13599078    -12.94896713
  H     16.35681496      9.47701645    -10.25009858
  H     18.29263620     10.84138245    -15.20511313
  O     19.67141190      8.47538484    -12.04324624
  H     14.95446767      9.60077906    -10.87061038
  H     17.69881049      7.45866481     -9.35797011
  O     18.36296332      7.64904280    -17.89929454
  H     13.16509233      7.97576260    -12.43576607
  H     17.08354479      7.50803449    -10.77739344
  O     16.77424181      7.82480329    -14.52998735
  H     14.64658992      7.84961590    -12.03147879
  H     16.59118522     11.17054445    -11.67353037
  O     12.50921496      8.90606864    -15.52853907
  H     15.48861676     10.64870428    -14.64672003
  H     16.84103888     11.28787252    -13.19713226
  O     12.04081854      6.94722774    -13.50126355
  H     16.56946137      9.54373188    -14.74986406
  H     17.85548679      6.04166046    -17.70222602
  O     19.25590054     10.81003146    -15.20242037
  H     17.92248669      4.68851317    -15.73424488
  H     17.67770729      4.62958735    -18.31423978
  O     17.58712150      8.02054202    -10.12099848
  H     18.67486725      5.37493173    -14.57954639
  H     13.92506372      9.91216866    -13.13012524
  O     17.11674983     11.63396383    -12.34151350
  H     19.90232773      7.52320385    -15.03868302
  H     13.65292621     11.42981280    -13.22795090
  O     17.48793358      5.15167431    -17.54027425
  H     19.58098713      7.49581929    -13.51177135
  H     16.35452773     10.01935275    -16.81739581
  O     13.86477113     10.65871600    -13.74967648
  H     16.34007490      3.27770287    -12.56758640
  H     15.48254404      9.20078083    -17.78447572
  O     16.36640276      9.57105644    -17.67007808
  H     16.87167075      4.27730361    -13.62003846
  H     14.79671993      6.91521218    -16.94423131
  O     15.25935793      6.31073520    -16.35049464
  H     19.78332647      9.42779344    -12.15353933
  H     15.94553948      5.85162201    -16.85223992
          69
 Energy    -249.49329689507277     
  O     12.34691620      8.65567626    -15.72944779
  H     12.43645154      8.90589604    -14.79178350
  H     19.80177552      9.21282874    -14.93334269
  O     17.14890086      6.52335020    -12.22746925
  H     11.47969547      8.93794277    -16.00690339
  H     16.92688636      7.09028859    -17.57966170
  O     18.79832803     10.39200901    -13.91846756
  H     17.00147369      5.57465412    -12.31076291
  H     15.67130508      7.97308286    -17.81718023
  O     13.81911917      5.14773500    -12.74043591
  H     16.73819429      6.92283498    -13.01342018
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  H     18.99228853     11.17840412    -13.39281696
  H     15.99534938      8.52643198    -14.61931876
  O     15.61642558      8.24990330    -10.69606091
  H     18.83057374      9.64966828    -13.29741181
  H     13.38731159      9.83691736    -12.84924167
  O     16.13519374     10.33253603    -14.79670534
  H     13.69589900      5.47245876    -13.64449574
  H     12.71559290      8.51133754    -12.45587980
  O     16.84066869      4.27691941    -15.59726613
  H     14.64919194      4.65882805    -12.74447691
  H     18.83814210      9.96824658     -9.91063892
  O     17.12005130      9.92986474     -9.12235172
  H     16.81890348     11.55164045    -10.15077195
  H     19.67507678      9.29886914    -11.02551348
  O     18.11211174      6.73278260    -16.11272464
  H     17.50976542     12.37354114    -11.25227400
  H     13.33471078      6.40332074    -11.67846572
  O     16.40742202      3.91595229    -12.94351871
  H     16.18381134      7.61009904    -11.14840024
  H     12.37373988      6.86900425    -10.55784361
  O     20.23762258      8.38366134    -15.18903672
  H     14.71917403      7.89265418    -10.72458730
  H     18.68293270      7.44932355    -12.31317469
  O     16.11724424      7.16043467    -18.09990485
  H     15.67957469     10.50986442    -13.96109213
  H     19.85944515      7.87252788    -13.24145057
  O     16.05786630      7.57721944    -14.45527728
  H     17.07751000     10.44360062    -14.61734721
  H     19.52633763     11.55296414    -11.36284580
  O     12.68873269      9.22120248    -13.10769499
  H     16.12110381      4.34319246    -16.23578824
  H     19.96357325     12.98780243    -11.75259595
  O     19.63473411     10.07210729    -10.44668288
  H     17.43731625      5.00842459    -15.80614781
  H     14.45453383      4.47023736    -18.25014722
  O     13.08005941      7.16499897    -11.12560314
  H     16.56305454      9.30533863     -9.61627263
  H     15.23555414      5.72728488    -17.79081990
  O     19.41251434      8.07783783    -12.41388643
  H     16.89899151      9.82365711     -8.20040437
  H     15.47994666     11.25962708    -11.83027918
  O     19.32458474     12.30762602    -11.94689866
  H     17.40206105      7.05153861    -15.53335818
  H     15.24251695      9.73427304    -11.80201128
  O     14.76196723      4.93358885    -17.47671009
  H     18.90003213      7.23661963    -15.88470329
  H     15.26958976      9.87467633    -16.40190805
  O     15.01335831     10.54149711    -12.28073679
  H     16.56600925      4.00860719    -13.90056900
  H     13.92189294      9.20284181    -16.70571124
  O     14.78990053      9.38584109    -17.08349275
  H     16.64734080      3.02271079    -12.71292016
  H     13.15511878      7.01725505    -15.52540399
  O     13.70874445      6.26830098    -15.26941080
  H     21.07149570      8.62567472    -15.58509422
  H     13.96132116      5.78543879    -16.06703111
          69
 Energy    -249.49320096023303     
  O     12.79842088     13.15535834    -13.28085234
  H     12.56818691     12.79226337    -12.41802498
  H     20.45690759     13.08443320    -14.27753422
  O     19.47835079      6.97472978    -12.49735668
  H     12.38085015     12.56787008    -13.92326197
  H     13.14446822     10.89573768    -15.96511555
  O     17.82602074     10.30410294    -11.24184082
  H     19.77355870      7.86013529    -12.74439568
  H     14.43724829     10.05222874    -15.92297646
  O     11.86703406      9.60316220    -12.71630975
  H     19.05107613      6.61053957    -13.28180424
  H     15.47324784     10.22343058    -13.50887961
  O     15.58503143      6.82890140    -13.05683446
  H     17.12621677     10.50756554    -11.88304891
  H     15.60958174     11.74610246    -13.20375787
  O     13.13549202      7.23050868    -11.71475406
  H     17.79433101     11.01170371    -10.58972967
  H     15.07968546     12.08063840    -16.59001420
  O     15.46587055     13.42690030    -13.86523355
  H     11.94124023     10.24593774    -11.99931096
  H     15.53681349     13.33021765    -17.38256568
  O     18.15920259      8.92194089    -15.35606943
  H     12.29410450      8.79352521    -12.41684756
  H     15.63802517      8.02055454    -10.05149434
  O     17.25590774      7.63473859    -10.97418720
  H     16.15922102      7.11772048    -12.33074417
  H     14.78693151      9.29897697     -9.83997260
  O     18.27009501     11.68239921    -16.06082857
  H     14.68767265      6.82302144    -12.70261965
  H     16.94145730     13.70612455    -12.79280659
  O     17.75481671      6.18246285    -14.69035556
  H     12.56461195      6.57606653    -11.31973477
  H     18.42668930     13.27641743    -12.75767615
  O     19.74239567     12.53590524    -13.96362280
  H     13.65887182      7.61996474    -10.99017656
  H     17.59520301     13.16076294     -9.09208832
  O     13.99680887     10.76906257    -16.39998810
  H     14.51731230     13.45353557    -13.66458407
  H     17.37598737     13.05461461    -10.62080319
  O     15.64462494     10.86439930    -12.80980561
  H     15.56144207     13.32694295    -14.82025518
  H     13.09649391     11.56867016    -10.50278139
  O     15.72637035     12.80986051    -16.60665133
  H     18.12528432      7.95887207    -15.31023037
  H     11.67190123     11.99597266    -10.08088318
  O     14.74698986      8.33463101     -9.84830761
  H     18.70395113      9.21024805    -14.60829932
  H     19.10659260      9.92809820    -12.43191294
  O     17.71429350     13.63461457    -12.21532885
  H     18.05935612      7.24014374    -11.34124170
  H     19.93014480     10.68817878    -13.46894401
  O     17.19301815     12.62062743     -9.76612991
  H     17.43269782      8.58717431    -10.96428880
  H     10.72132450     11.08606690    -15.22907758
  O     12.19424481     11.72197641    -10.83035531
  H     18.18674866     10.72150503    -16.03181156
  H     11.70279923     10.50986074    -14.18213965
  O     19.69779234      9.79491539    -13.18828093
  H     17.40684161     12.03914703    -16.30260904
  H     14.99183002     11.00994253    -11.16549663
  O     11.62662523     11.12674289    -14.93257328
  H     17.67176157      5.35082536    -15.15066357
  H     15.51684156     11.71350575     -9.89899523
  O     14.79086605     11.17116584    -10.22858455
  H     16.94482980      6.29217864    -14.16611719
  H     15.36162422      8.20881159    -14.26393358
  O     15.44174080      8.98660708    -14.82938948
  H     19.21424535     12.29378037    -14.74632500
  H     16.37413450      9.03854249    -15.08544362
          69
 Energy    -249.49314682934761     
  O     -7.39718845     -3.34069196      6.02241592
  H     -6.65002836     -2.82103769      6.33853934
  H     -2.88078118      1.38588286      2.97152509
  O     -9.36366898     -1.87703083      3.04671372
  H     -8.17261533     -2.77235266      6.14104893
  H     -6.46897549     -1.05051241      2.95624737
  O     -7.77892137     -4.18700155      3.50330449
  H     -8.60000318     -1.27988173      3.12055389
  H     -7.13293248      0.30460842      2.50314020
  O     -4.81669233      0.61509362      0.54603950
  H     -9.00757318     -2.76511333      3.17547406
  H     -4.81769617     -1.50524569      7.54639076
  O     -7.18036507      0.49133005      5.79518377
  H     -7.60358998     -3.95062469      4.43392937
  H     -4.83886838     -1.50076571      5.99734140
  O     -5.08932731      5.18602857      1.73451200
  H     -7.96665137     -5.12139479      3.48703111
  H     -0.85364006      3.04117892      2.85124402
  O     -9.73027334      1.14706227      0.12844134
  H     -5.03863434     -0.25299537      0.19396399
  H     -2.29628113      3.47657971      3.21171987
  O     -9.41245468     -1.42435268      5.97098469
  H     -5.66839734      1.04720567      0.72276019
  H     -8.55842797      1.77824638      5.06873370
  O     -3.99641222     -1.59455253      4.49791961
  H     -6.61265460     -0.11548746      6.28931146
  H     -8.54038983      2.86944067      3.98582968
  O     -3.63327032      3.21655464      0.52481124
  H     -7.14224224      0.19743112      4.86814677
  H    -10.42271146     -0.23038499      2.83537617
  O     -5.96690333     -1.91272987     -0.19997775
  H     -4.61332092      4.50074755      1.23241833
  H    -10.15751436      1.23124821      3.29038830
  O     -3.62606785      0.78232232      3.08204071
  H     -5.05923025      5.98177593      1.21014478
  H     -5.67679369     -2.53074107      1.53318626
  O     -7.08784250     -0.35362855      3.20834642
  H    -10.37106125      1.59387052     -0.41666456
  H     -6.33793175     -3.26597809      2.74558519
  O     -5.39815026     -1.43707456      6.79327860
  H    -10.13423447      1.03306837      1.00971843
  H     -9.02317106     -0.61681055      0.04681193
  O     -1.77148227      2.85621418      2.67397969
  H     -9.63256214     -1.52370881      5.03828525
  H     -8.97520066     -1.73466764      1.09779901
  O     -9.10958384      2.21594743      4.41163019
  H     -8.81724108     -0.66719694      6.02063888
  H     -4.04476913      4.85279588      3.33731256
  O    -10.60196527      0.69079166      2.61944761
  H     -3.74364967     -0.77028325      4.06094942
  H     -4.10111640      3.81574685      4.47592147
  O     -5.63998271     -2.64782423      2.49075225
  H     -4.44632703     -2.11557161      3.82003406
  H     -4.74374368      1.73708614      4.18797527
  O     -8.62005635     -1.47227128      0.24154634
  H     -3.98013227      2.33174428      0.35718211
  H     -5.84651048      1.77845727      5.28137496
  O     -3.51329188      4.44016844      4.02969176
  H     -2.88401044      3.09647801      1.12215857
  H     -8.07749869      1.57408366      0.80363628
  O     -5.26692168      2.33119868      4.74625381
  H     -5.86166218     -2.39548763     -1.01578279
  H     -7.23717889      2.40918527      1.83418200
  O     -7.22520351      1.63808804      1.25072644
  H     -6.92115440     -1.74931900     -0.09269757
  H     -6.50222036      4.33121995      2.60702703
  O     -7.03606207      3.68291042      3.08320860
  H     -4.02010927      0.66044659      2.20730812
  H     -6.42915317      3.24034396      3.69620802
          69
 Energy    -249.49258773304538     
  O     10.25774092      5.62353716    -12.59566709
  H     10.54283380      6.49139927    -12.90693606
  H     16.40832211      5.65504219    -13.05883087
  O     13.71403393      5.50307860     -7.69165411
  H     10.74801558      4.98378373    -13.12509814
  H     13.70751762      5.06466952    -11.59809985
  O     16.62251037      8.72133093    -13.64975604
  H     14.02116299      5.34208120     -6.80274650
  H     14.61523668      6.08709096    -12.32785954
  O     16.68203714      8.94327737     -9.79365345
  H     14.48890189      5.77844468     -8.20795574
  H     10.07463408      5.39662359    -10.87740068
  O     11.69253546     10.22736835    -15.01103062
  H     16.02065583      9.08256756    -12.98383184
  H      9.09470780      5.07212553     -9.72835405
  O     11.62451576      7.26301721     -8.67313818
  H     16.46641036      9.21187440    -14.46606536
  H     16.19875787     10.46786856    -16.71412400
  O     13.32394398      6.29023530    -14.91209753
  H     16.06435927      9.32733275    -10.43884336
  H     15.05199471      9.57049386    -16.18743758
  O     16.10110217      2.73017833    -11.73642762
  H     16.89470006      9.63858184     -9.17579831
  H     12.27297245      8.10356111    -10.13550805
  O     14.11750309     11.26861463    -13.87278870
  H     11.54078837      9.45866400    -14.43421028
  H     13.14064100      7.42092768    -11.20980370
  O     17.37893232      5.18893110    -11.44423273
  H     10.83661734     10.60159361    -15.20215882
  H     18.02539239      8.10293004    -12.51836996
  O     15.70418199      6.31673090     -9.41554216
  H     10.99957471      6.62668184     -9.04541347
  H     18.03419676      8.14759065    -10.99329441
  O     15.81366993      6.10445833    -13.67124600
  H     12.30665304      6.73441496     -8.24228340
  H     14.61212137     10.43057488    -12.36901213
  O     14.03279908      5.97205484    -11.56538642
  H     12.86521105      5.45506555    -14.75670505
  H     14.09704302      9.32411044    -11.40278526
  O     10.01065549      5.26035581     -9.91588082
  H     14.23099835      6.16566554    -14.59983540
  H     12.88233961      9.20692907    -16.11167798
  O     15.80517487     10.12602397    -15.91635351
  H     16.65301149      3.52237718    -11.65172566
  H     13.48627524      7.78546678    -16.07155806
  O     12.70816185      8.26036975    -10.98411553
  H     16.70030537      1.98876354    -11.69276037
  H     12.80190584      4.20205735     -8.76796984
  O     18.45330061      7.71173012    -11.74499739
  H     13.24830046     11.02760979    -14.21645439
  H     11.46951194      4.13932691     -9.53691573
  O     14.89165242      9.79244678    -11.69583048
  H     14.73889464     11.05584705    -14.57968412
  H     12.22346860      7.42207014    -13.92373290
  O     13.59395749      8.65954856    -16.46765511
  H     17.93693347      5.96379121    -11.60714527
  H     11.91306126      8.17151905    -12.58438093
  O     12.30144920      3.66830624     -9.39618528
  H     16.87586174      5.41601074    -10.65112170
  H     12.50748303      3.61217980    -13.31644891
  O     11.57699507      7.98511801    -13.47371429
  H     16.04333258      7.22057893     -9.44855970
  H     11.76802348      3.13767786    -14.58985392
  O     12.00626308      3.91657621    -14.09360190
  H     15.08465370      6.22037669    -10.15674293
  H     13.00818890      3.25658794    -10.95625108
  O     13.38918044      3.27006489    -11.84830129
  H     16.13211054      7.01720229    -13.74546781
  H     14.31551784      2.99458118    -11.80042079
          69
 Energy    -249.49255150896772     
  O     10.41335105     12.84587658    -11.35150595
  H     11.20382880     13.04943441    -10.83729753
  H      9.87718076     11.30259031    -10.58815724
  O     13.37103996      8.12294963    -16.77181798
  H     10.68191886     12.79084386    -12.27674164
  H     12.99506524     12.57389254    -13.36198189
  O     10.19642289      8.22967689    -11.44408027
  H     13.35744601      7.45614315    -17.45251007
  H     13.72733993     11.80315313    -12.24280786
  O     14.06608744      8.53242548    -14.08621723
  H     12.46963342      8.48976353    -16.71652913
  H     16.76393241      9.98139189    -11.26656259
  O     12.65993724     12.78633698     -9.50153996
  H      9.41263956      7.68794340    -11.43862305
  H     15.88026108      8.71738319    -11.00572011
  O     14.23878181     10.87928237    -16.85276978
  H      9.98566401      9.04018930    -10.94010675
  H     14.56841680      7.67660776    -12.63355254
  O     11.41364057      9.47395566    -13.63889750
  H     14.61012899      9.33156206    -14.14885858
  H     15.18285301      6.41869417    -11.97184549
  O     13.20994341      9.44801564     -7.67321344
  H     13.87327223      8.25551124    -14.99123472
  H     11.81723120      7.99022453    -10.57823425
  O     13.61736520     10.61560145    -10.94220145
  H     13.47480890     13.20714681     -9.20390884
  H     13.35099069      7.68596818    -10.66611249
  O     11.09074521     11.37700536     -7.72314649
  H     12.94825202     11.98655293     -9.96755020
  H     17.15560928     11.94895414    -12.08013443
  O     16.14276354     13.21241736    -11.48065204
  H     14.81573172     10.95182560    -16.08120970
  H     18.53326799     11.38384094    -12.50843163
  O      9.76850382     10.47753670    -10.09156316
  H     14.06248788      9.93672835    -16.95787532
  H     11.30160925     11.29430589    -13.81258803
  O     13.85354092     12.47354524    -12.93333254
  H     10.96715332      9.01731116    -12.91565229
  H     11.38706163     12.32791557    -14.95786547
  O     16.20325718      9.53875009    -10.61659330
  H     12.32588403      9.15913063    -13.67056477
  H     15.42818221     12.49567576     -8.50081089
  O     14.84520020      7.29105186    -11.78460070
  H     13.00366995      8.87641127     -8.42369519
  H     15.71153019     13.96199795     -8.09200670
  O     12.66665298      8.11083563    -10.13454280
  H     12.44962457     10.03304383     -7.57195443
  H     16.36409254     10.90021145    -13.84988877
  O     17.60760718     11.16520220    -12.44656046
  H     13.11460092      9.83397771    -10.68554172
  H     14.93956964     11.49258524    -13.93281865
  O     11.32363567     12.24537411    -13.99891731
  H     14.54044165     10.40248145    -10.75130980
  H     11.69355343     12.69694132    -17.50991970
  O     15.30427522     13.42636982     -8.76694730
  H     10.69405142     11.92395367     -7.04974546
  H     12.69279315     11.73050958    -16.83206285
  O     15.54289072     10.85878031    -14.35213461
  H     11.61834318     11.96750720     -8.28752835
  H     14.78034433     10.33808816     -7.90804282
  O     11.78554962     12.08124064    -16.78770657
  H     15.89059360     13.35320823    -10.56012398
  H     15.96749477     10.30304810     -8.89411399
  O     15.58204687     10.81387491     -8.17228289
  H     15.32220098     13.18208875    -11.99095088
  H     11.08835195     10.28079857    -16.64601229
  O     10.98484021      9.35107287    -16.40803908
  H     10.10270793     10.66016684     -9.20694696
  H     10.95843070      9.33490235    -15.44071494
          69
 Ord_Energy   -249.492188    
 O   -5.25683260       2.72872496       10.4427071    
 H   -5.90472746       2.88543630       11.1248150    
 H   -5.48564577       1.87771559       10.0268335    
 O   -3.09558558      0.795105278       8.16925144    
 H   -2.72140813       1.20301545       8.95854855    
 H   -4.00493526      0.572447658       8.40733337    
 O   -6.71442127      0.395256519       6.65188265    
 H   -6.24234295     -0.227738380       6.08693743    
 H   -6.52300358       1.27514374       6.29834843    
 O   -2.58121490       1.80995107       10.7389355    
 H   -3.43019438       2.26773739       10.7594147    
 H   -1.87780833       2.46487665       10.6434851    
 O   -2.33823013     -0.976259649       11.0970631    
 H   -2.45689893      -1.64888594E-02   11.0899858    
 H   -3.13087773      -1.35935307       10.7043142    
 O   -1.92494702       4.14463663       7.80102015    
 H   -1.63573754       3.62427640       7.03852272    
 H   -1.34556484       3.94550538       8.54561329    
 O   -4.88615465       5.02533674       4.28661299    
 H   -3.94972229       5.03311586       4.05537319    
 H   -4.98404455       5.67072868       4.99821949    
 O   -5.67338371       2.89476323       5.82751083    
 H   -5.39236927       3.28664160       6.66560602    
 H   -5.51969433       3.57467437       5.15527773    
 O   -1.31305933       2.85184669       5.38966799    
 H   -2.06489849       2.25323057       5.27305174    
 H   -1.46168816       3.60264206       4.80194473    
 O   -4.85985565      -1.17952442       5.09562445    
 H   -4.30757093     -0.380312443       5.12316513    
 H   -4.89325380      -1.45758927       4.18344784    
 O   -3.52263618       1.19912851       5.49390793    
 H   -4.27730560       1.80601680       5.49027109    
 H   -3.29709697       1.06339705       6.42773628    
 O  -0.421603620       3.45331335       10.0683508    
 H    7.04415366E-02   2.66393900       9.76932621    
 H   0.195685551       4.00251389       10.5426970    
 O   -4.66789770       4.20284700       8.11335278    
 H   -4.91363525       3.77499771       8.94106007    
 H   -3.70451188       4.13404179       8.02552223    
 O    5.79873286E-02  -1.42379344       9.91580486    
 H   0.558225453      -2.09270573       10.3748951    
 H  -0.779291630      -1.31305945       10.4009686    
 O   0.453128397      0.904479504       6.48197174    
 H   -6.04902618E-02   1.57351232       6.01273155    
 H  -0.115110062      0.129490480       6.57366848    
 O   -2.00870466       5.19741631       3.97295690    
 H   -1.54728496       5.68318701       3.29418087    
 H   -2.00884986       5.75787687       4.76957083    
 O   -4.66141033      -2.13115454       9.80392170    
 H   -4.33236408      -2.34277844       8.91111946    
 H   -5.04042959      -2.93311214       10.1538973    
 O   -2.18722272       6.53847885       6.33644342    
 H   -3.11844230       6.74742270       6.48157883    
 H   -1.98880255       5.81044674       6.94193125    
 O   -3.71978354      -2.57201791       7.31196785    
 H   -2.80352259      -2.26481795       7.26964808    
 H   -4.15938759      -2.20669317       6.53523350    
 O   -5.70058775      0.372008413       9.16992760    
 H   -5.48173141     -0.525926054       9.44991207    
 H   -6.16603518      0.332440853       8.31956291    
 O   -1.27960646      -1.20548248       7.43183517    
 H   -1.89703286     -0.514863610       7.71707010    
 H  -0.736333132      -1.40435863       8.20567513    
 O   0.780047357       1.25273860       9.19295406    
 H   0.773500323       1.18707633       8.22579002    
 H   0.628847897      0.360637814       9.52315426    
 O   -5.01147127       6.57147694       6.72565222    
 H   -5.70272732       7.12649298       7.07732916    
 H   -4.97624493       5.77782345       7.28553152    
          69
 Energy    -249.49218724957640     
  O     11.43816252     10.10639983     -9.99890830
  H     11.24167177      9.19979406     -9.73032903
  H     16.90915044     12.50760807    -14.26694331
  O     13.48951748      5.66142729    -15.70046964
  H     10.89238413     10.27159478    -10.77786650
  H     16.13317882      7.18453516    -13.03288227
  O     18.40944690      8.86778937    -10.93530748
  H     13.09079622      5.03872199    -16.30179969
  H     16.23645109      8.74281534    -13.04159833
  O     12.64734433      9.81031993    -13.59464695
  H     14.23127013      5.20147103    -15.26480778
  H     10.50249377      7.28297707    -10.50699599
  O     15.77194290      5.77160407    -11.94526394
  H     18.30480947      7.95236840    -10.65246338
  H     10.42785429      6.79423324     -9.03978972
  O     12.27738780      7.03863993    -13.57437901
  H     18.84457822      8.81517982    -11.79833714
  H     18.99232789      5.35443556    -13.83361289
  O     16.36985756     10.31058700    -12.05114044
  H     13.14766743      9.81503096    -12.76746296
  H     19.51611625      6.66384396    -13.24490013
  O     15.59759445      4.55674924    -14.45396441
  H     13.22633831     10.13812466    -14.29740105
  H      9.79181282      8.41716991    -12.31088001
  O     18.79646494     10.09099048    -15.87700285
  H     14.98292939      6.06476625    -11.46935620
  H     10.60219385      7.17820191    -12.72484642
  O     15.15899210      7.91209128    -16.07245904
  H     16.52869587      5.79593375    -11.34612335
  H     19.24356824      9.01166695    -14.37180544
  O     17.82016545      7.48444769    -16.76945785
  H     12.63651617      6.55296913    -14.32575571
  H     18.16557368      8.16037315    -13.68382147
  O     16.91464996     11.56348594    -14.40784392
  H     12.42673634      7.98251868    -13.72862827
  H     18.59254596      4.48230567    -16.17142206
  O     16.32253351      7.95200571    -13.58872470
  H     15.52212690     10.18479401    -11.60252772
  H     18.09714253      5.93051821    -15.97707482
  O     10.97563273      7.27402771     -9.65495877
  H     17.06598380      9.89547480    -11.51874218
  H     18.67012789      5.81616885    -11.44142890
  O     19.38153875      5.72877910    -13.03457510
  H     15.65484490      4.84078863    -13.53141266
  H     18.66027847      5.47670839     -9.93158337
  O      9.89155454      7.47212405    -12.13831762
  H     16.47633625      4.68116370    -14.83292225
  H     14.65916067      9.66997539    -15.87332703
  O     19.09826423      8.42226447    -13.62530089
  H     19.29536644     10.69329726    -16.42382032
  H     15.25929418     10.93970696    -15.23340893
  O     18.17874705      5.06535702    -15.53945787
  H     18.13129882     10.62338077    -15.41266633
  H     12.65342497      6.88919708    -10.43482591
  O     18.20684543      5.98347645    -10.59990323
  H     14.53555457      7.17754156    -16.09130251
  H     13.02168328      6.83046684    -11.93904733
  O     14.43128596     10.54446697    -15.52507754
  H     15.56013767      7.90936323    -15.18675915
  H     13.13120533      9.94310221    -10.61459096
  O     13.39938786      6.85070461    -11.04546617
  H     16.86433091      7.62457477    -16.70722114
  H     13.87200180      8.65169398    -11.02641888
  O     13.90829841      9.61544623    -11.09017289
  H     18.21677995      8.33378775    -16.54986145
  H      9.66731862     10.97002920    -13.03080158
  O     10.14263992     10.28004968    -12.57547152
  H     16.74152771     11.15661630    -13.54070878
  H     10.99773180     10.18344457    -13.02908415
          69
 Energy    -249.49177646039735     
  O     10.34061508      8.26268505    -13.07203628
  H     11.14296831      8.75062365    -12.84260165
  H     14.71397016      4.81156945    -10.34799395
  O     12.35408489      4.05211094     -8.93001654
  H     10.58353064      7.70344154    -13.81959372
  H     16.01503059      4.86586534    -13.89491084
  O     17.44829731      7.39652035    -12.66838753
  H     12.13740630      3.45641567     -9.65405836
  H     16.33737544      6.35410614    -13.58517198
  O     17.27459546      6.04903888     -9.03669399
  H     13.31856249      4.12339824     -8.94481214
  H     14.55574601      5.67567364    -12.55450759
  O     14.32957749     11.56780474    -12.89336517
  H     17.73897509      8.17538784    -13.15835131
  H     13.11321017      5.37270982    -12.04085891
  O     11.49046348      6.71214796     -9.00186294
  H     17.02504588      7.71174161    -11.85760200
  H      9.81259138      7.16731788    -11.81036173
  O     13.84683855      7.72519711    -14.69829067
  H     16.98077919      6.90090027     -9.40104912
  H      8.69209600      6.44093025    -11.02781408
  O     12.08107741      2.39715298    -11.36548653
  H     17.73022086      6.24493096     -8.22177096
  H     17.10360594      9.87274337    -14.45369518
  O     16.72778253     10.71166305    -11.56325219
  H     13.74521292     10.81167114    -12.71058741
  H     18.61959789     10.16131827    -14.58478523
  O     16.80103967      3.29624841    -13.20346102
  H     13.79268101     12.35308936    -12.82768001
  H     13.77720654      7.11841828    -10.81491451
  O     14.79194940      2.27277448    -11.41694842
  H     11.75616720      5.78961778     -8.87123096
  H     12.87616873      7.62341465     -9.67478686
  O     15.07610505      4.34464296     -9.57805987
  H     10.78712211      6.68437146     -9.65987196
  H     17.96783480      5.14739588    -10.62002056
  O     15.67692496      5.76523911    -13.98401358
  H     13.01674128      7.27575792    -14.89916705
  H     18.12774389      5.79307666    -11.99589769
  O     13.99198857      5.66830104    -11.77209954
  H     14.50302771      7.02870508    -14.55460434
  H     15.36232578      8.24691412    -10.15765997
  O      9.63228147      6.44118790    -11.18730942
  H     11.72719683      1.51581698    -11.28089157
  H     16.49911932      9.22723236    -10.57736011
  O     17.96409228      9.78431086    -14.00492366
  H     13.04824252      2.30253712    -11.43365400
  H     14.89590262      9.26875265    -15.06284857
  O     13.60058298      7.89265948    -10.25738566
  H     15.91790978     11.09352735    -11.92397673
  H     15.05460003     10.66417630    -14.41708259
  O     18.18180820      4.94303189    -11.53727960
  H     17.27828960     10.51262341    -12.33008772
  H     13.12717293      8.85841187    -11.68070639
  O     16.32135033      8.32965211    -10.25959940
  H     17.32438132      3.80902895    -12.56051144
  H     13.28995489      8.71099278    -13.22980360
  O     15.47070602     10.04398668    -15.02961678
  H     17.41321424      2.71799020    -13.65167205
  H     11.43840089      5.69129174    -14.12636497
  O     12.91809565      9.26941952    -12.53225947
  H     15.42310032      2.52512565    -12.09991919
  H     11.00764345      5.81972367    -15.60568420
  O     11.41557695      6.29644146    -14.88704435
  H     14.99591875      2.84183568    -10.66060209
  H     11.57488473      3.91806240    -12.20794445
  O     11.44293892      4.80538409    -12.56906833
  H     15.81790873      4.87254628     -9.26496876
  H     10.80043809      5.26641710    -12.01156271
          69
 Energy    -249.49120646134543     
  O     17.47026658      7.63542839    -13.81821066
  H     17.86411008      7.98210241    -14.62910168
  H     13.70898848      7.71481922    -15.63037722
  O     12.43887605     11.25424718    -11.89373822
  H     17.98632089      7.94723200    -13.06094325
  H     17.01307097      8.12709842     -8.76980241
  O     18.40385708      8.85572531    -16.14098345
  H     12.15022327     10.59263994    -12.55195288
  H     17.98511315      6.93181872     -8.87763039
  O     11.77687935      9.34867739    -13.65707548
  H     11.64993472     11.68256734    -11.57464934
  H     13.46849840      9.85522354    -11.01129383
  O     15.67123678      5.61830544    -13.22379135
  H     19.09042481      8.66640253    -16.77440711
  H     14.53381368      9.10302681    -11.82198478
  O     18.64259851      8.54822269    -11.49892776
  H     18.57323965      9.75412301    -15.79961736
  H     20.02954524      5.67625038     -9.95224486
  O     19.07174398     11.18582598    -12.42531881
  H     12.30096771      9.27263142    -14.46469303
  H     18.58976491      5.57928593    -10.51334421
  O     16.64313614      9.63361768     -9.85020304
  H     11.69064855      8.43863374    -13.33867423
  H     14.08375358     11.86772404    -12.57998828
  O     11.94367438      6.63462860    -13.03164314
  H     16.32808236      6.29549880    -13.44535084
  H     15.20703921     10.96889534    -13.12767196
  O     15.79098499      9.87044150    -16.85034572
  H     15.11923627      5.95296939    -12.50050718
  H     16.77382903      4.78287408    -11.86827911
  O     13.76068848      5.87500794    -15.20316081
  H     18.99139426      7.76584912    -11.05351446
  H     16.58482926      4.66248351    -10.34296621
  O     13.66624014      8.67912445    -15.60765635
  H     17.93115526      8.89134936    -10.93950692
  H     16.07605262      8.72909513    -13.56881186
  O     17.18686290      7.23971342     -8.43036154
  H     18.41622798     11.63063650    -11.87676675
  H     14.66168689      9.04080908    -14.14018542
  O     14.14015508      9.16960410    -10.93531962
  H     19.09445816     10.27077421    -12.11649960
  H     17.83282907     11.81738591    -15.24939056
  O     19.24873976      6.19054810    -10.13752572
  H     16.78634207     10.56858918    -10.03914068
  H     18.86472306     11.33235002    -14.19685680
  O     14.98875928     11.89219517    -12.91626103
  H     15.73607504      9.44464896    -10.13093888
  H     15.71507296     13.24908400    -15.82936105
  O     17.24359203      4.59847783    -11.04616269
  H     12.53877479      6.45504501    -12.29233664
  H     15.60723230     12.34989637    -14.58003913
  O     15.27074867      9.23658983    -13.41534143
  H     12.40542952      6.30888035    -13.81263306
  H     14.37859194      5.98794510    -10.32265358
  O     18.65611394     11.32845374    -15.14340141
  H     15.84868979     10.74900231    -16.45580608
  H     13.99381733      7.36692935    -10.92841673
  O     16.01506984     12.42311111    -15.45646420
  H     16.65228321      9.46079111    -16.70701529
  H     16.83676261     13.14705286    -10.54968043
  O     14.01662610      6.41644046    -11.10764804
  H     14.46827063      5.70299310    -14.56013876
  H     16.20103213     12.20769607    -11.60058013
  O     16.87115046     12.26018612    -10.90004537
  H     13.68744326      5.09250312    -15.74392426
  H     15.13771585      4.81601289     -8.15812791
  O     15.39492153      5.26964476     -8.95603584
  H     14.36076599      9.03695721    -16.18106535
  H     15.99251449      5.99198148     -8.69152198
          69
 Energy    -249.49081814521514     
  O     -7.11356889     -2.44123366      5.63698898
  H     -7.63740367     -1.64056175      5.77407706
  H     -7.69342302     -1.32321024     -0.39947725
  O     -9.66872607     -1.86863741      2.72392028
  H     -6.20126171     -2.19239298      5.83071515
  H     -4.74585522      1.77881046      3.07754832
  O     -7.82175298     -3.87894000      3.47881235
  H     -9.25025093     -2.69277047      2.99693363
  H     -4.81329647      1.30072020      1.59160457
  O     -5.93289680      1.31525216      0.11565149
  H     -8.97871865     -1.19531925      2.82801925
  H     -4.18795244     -1.34121759      5.12672819
  O     -5.80439170      1.04428779      6.60432075
  H     -7.85697722     -4.80838623      3.68581540
  H     -3.74374267     -1.79677781      6.53649559
  O     -6.46853406      5.61509313      2.02057759
  H     -7.56904858     -3.41629019      4.30051735
  H     -1.80272780      3.38976883      1.52111623
  O    -10.86927123      1.13091294      0.38522115
  H     -6.07318780      0.42090452     -0.21425735
  H     -3.14249067      2.73985379      1.93748726
  O     -8.19675092      0.14023060      5.71754667
  H     -6.79428518      1.60140678      0.45753582
  H    -10.39055414      2.83516509      5.41445472
  O     -3.83088899     -1.17141795      3.44493341
  H     -5.25301865      0.26334754      6.46954222
  H     -9.26044459      2.82776366      4.36429072
  O     -5.12730862      4.05958280      0.22356985
  H     -5.60004187      1.66177097      5.88779784
  H    -10.81064416      1.02975544      3.64789025
  O     -7.56865440     -0.05948875      3.02743962
  H     -6.04945333      5.06971935      1.33076934
  H    -10.86166465     -0.40761437      3.05597192
  O     -6.72914477     -1.36699207     -0.53196643
  H     -6.66564194      6.45754574      1.61933182
  H     -6.23682812     -2.03739632      1.14755114
  O     -4.23060797      1.38345926      2.35847845
  H    -11.63602919      1.52962029     -0.01594872
  H     -6.61375859     -2.88175349      2.41702169
  O     -4.47935353     -1.43255749      6.05151888
  H    -11.10737186      0.92030516      1.30699350
  H     -9.56317657     -1.63832422      0.86503291
  O     -2.72304672      3.57972314      1.68220122
  H     -8.82925329      0.85188399      5.57515503
  H     -9.92843578     -0.48273671     -0.07299676
  O     -9.88410971      2.25968895      4.84514436
  H     -7.40886908      0.51908347      6.14220686
  H     -4.92347999      5.37988376      3.17815293
  O    -11.24101254      0.47851347      2.98412905
  H     -3.82876932     -0.27879090      3.07571503
  H     -3.56641298      4.66452149      3.04595390
  O     -6.01782269     -2.20399762      2.07302785
  H     -4.49349635     -1.65767402      2.93523753
  H     -6.45494297      2.97502997      4.10097763
  O     -9.38790113     -1.27898244     -0.01514600
  H     -4.23470898      3.99114579      0.58655554
  H     -5.02791890      3.53774903      4.31018337
  O     -4.18991990      5.01947173      3.69238188
  H     -5.38883166      3.15618061      0.00765358
  H     -9.19621675      1.69834328      0.90961864
  O     -5.56525234      2.73517986      4.38630478
  H     -7.64945867      0.00317925      3.98880522
  H     -8.11206027      1.15356209      1.90146238
  O     -8.33444000      1.88466335      1.29926819
  H     -6.89748350     -0.71856200      2.81135986
  H     -8.17234246      3.09460496      2.56104640
  O     -8.03641039      3.67189598      3.32929438
  H     -6.58685060     -1.82591275     -1.35596035
  H     -7.58639243      4.45501172      2.98903641
          69
 Energy    -249.49032273023906     
  O     17.77588825     10.34025587    -14.86563195
  H     17.82412003     11.22217045    -15.25057772
  H     13.51050805     11.29012736    -12.88769669
  O     14.36975860      8.30772763     -9.59354875
  H     17.33272854     10.41844264    -14.00556713
  H     13.29258958     11.15053525    -10.59230761
  O     17.88156582     13.01243521    -15.63704825
  H     14.45449656      9.23893424     -9.35303339
  H     12.36868348     10.12994808    -11.28250787
  O     12.04447849      8.26248107    -11.21725648
  H     13.52908112      8.23042543    -10.06331554
  H     18.75074702      4.42317288    -12.55504058
  O     16.36848085      8.05058944    -15.56647859
  H     17.86750518     13.52198252    -16.44205566
  H     18.69136302      5.95799970    -12.39790186
  O     19.89228980      8.85782117    -14.01633623
  H     17.08659813     13.25914219    -15.12890906
  H     15.65195167      7.92718261    -10.72869947
  O     21.05343369     10.95519212    -12.70154490
  H     11.21007151      7.82051476    -11.08510690
  H     15.99841459      7.24640111    -12.10542377
  O     19.03511327      7.58939515    -11.61421954
  H     12.43026196      7.89185568    -12.03069349
  H     18.78793033      6.01905050    -14.66139450
  O     13.18145352      7.29539835    -13.48145963
  H     16.90671770      8.83733661    -15.39722496
  H     18.09238939      6.98404357    -15.64076651
  O     15.78468160     13.56016955    -14.02556592
  H     15.47086118      8.38666591    -15.68142373
  H     18.18798263     13.80695634    -12.19797115
  O     13.78918939      9.27168579    -15.46029784
  H     19.78780529      8.04903889    -14.53544914
  H     17.55202919     14.97707607    -11.40890239
  O     14.14590010     11.28193189    -13.61881193
  H     19.19455872      9.45173205    -14.33430330
  H     16.71198408     10.89494191    -11.73450051
  O     12.67592457     11.04473799    -11.32699226
  H     20.75407214     10.17662674    -13.20069962
  H     16.35791995      9.45104776    -12.16191652
  O     18.38840781      5.21490808    -12.94477555
  H     22.00737174     10.92897110    -12.70039550
  H     19.06620959     13.15626097    -14.13393787
  O     16.31759219      7.85553051    -11.42809632
  H     19.29485217      8.06505751    -12.41584461
  H     20.01315210     12.48428303    -13.10236020
  O     18.95594559      6.64505624    -15.37684297
  H     18.08203099      7.72308243    -11.48237873
  H     17.95271433     11.26505029    -10.15127217
  O     17.41370632     14.06923444    -11.66663567
  H     13.30357535      7.94334134    -14.18590455
  H     17.25105192     12.60742111    -10.58154657
  O     16.45953207     10.35485823    -12.49199198
  H     13.97110016      6.74046275    -13.49251029
  H     16.57693668      5.67314307    -13.38790114
  O     19.43699365     13.24404474    -13.24720569
  H     16.15956241     13.74369373    -13.15622803
  H     16.01285017      6.79887659    -14.29252994
  O     17.11070582     11.74626792    -10.16572677
  H     15.11068225     12.87817255    -13.90777280
  H     20.01901673     10.58661713    -11.11760204
  O     15.78061146      6.18181708    -13.58135832
  H     13.20009019      9.54779524    -16.15815870
  H     19.33130782      9.31438467    -10.61120276
  O     19.40519960     10.26123053    -10.44820618
  H     13.88294400     10.02992209    -14.85885079
  H     15.51470168     11.34770146     -9.48629288
  O     14.61953587     11.12345841     -9.18311921
  H     14.96841193     10.93496142    -13.24014299
  H     14.50220685     11.55916088     -8.34214690
          69
 Energy    -249.49027624191064     
  O     -2.08950118      5.01848653      3.32819738
  H     -1.57901853      4.59264228      2.62878746
  H     -3.98266082     -4.20205733      1.95402254
  O      1.59864307      0.61306104      0.63452788
  H     -1.78115617      4.62403170      4.15449078
  H     -0.52060870      2.57839273     -0.08532982
  O     -1.21731383     -0.51887616      3.59056288
  H      1.10215855     -0.19100797      0.84482878
  H     -0.26494878      2.73556547     -1.60097350
  O     -4.32035341      0.84034206      0.52261546
  H      1.07993062      1.06945097     -0.03791078
  H     -5.22010134      5.50582036      3.57533219
  O     -2.82535329     -2.75617239     -1.25493520
  H     -1.70751269      0.24519124      3.24772507
  H     -3.84279967      4.86193944      3.29699044
  O     -0.24922908     -1.39709060      1.14871647
  H     -0.77563906     -0.90950908      2.82433081
  H     -5.59289364      3.40201270      2.21402465
  O     -5.29883816      0.08832246      5.17906885
  H     -4.73380473      0.05557940      0.91099123
  H     -6.42796427      2.09624666      2.25316578
  O     -7.15069194      0.65454313      3.29941822
  H     -4.90062333      1.58590043      0.73867493
  H     -1.35953857      2.66421361      1.95982533
  O     -1.41801552      3.55317815      5.70664331
  H     -2.55096629     -1.83394488     -1.12746581
  H      0.15080234      3.05154674      1.99952549
  O     -2.06148945     -0.15561500     -0.65695794
  H     -2.76166706     -2.93097052     -2.19104337
  H     -2.76401798     -1.45521624      3.87183793
  O     -5.51035639     -1.20280676      1.92980718
  H     -0.89558890     -0.96074869      0.57766596
  H     -3.53206573     -2.78274322      3.63950267
  O     -3.41132504     -4.41742895      2.71357765
  H     -0.44005244     -2.34470096      1.10008872
  H      2.63537350      2.76159923      2.71020930
  O     -0.36121690      2.08645676     -0.90852455
  H     -4.76744814      0.89549239      5.22402523
  H      1.78875340      1.69372995      1.97813799
  O     -4.79146436      4.67090863      3.40563751
  H     -4.70682800     -0.62651902      4.91343022
  H     -0.22459383      0.73009213      4.57502990
  O     -5.94828777      2.69396427      1.66464961
  H     -8.03750418      0.56136318      3.63678838
  H      0.81070601      1.80357473      4.18252764
  O     -0.69241302      3.25460818      1.57362790
  H     -6.54571130      0.46611200      4.04026565
  H     -4.34858014      3.25444784      4.54076537
  O     -3.64088883     -1.86179771      3.90820872
  H     -1.10799155      3.86096411      6.55400848
  H     -3.08415546      2.83746939      5.34050665
  O      1.76419900      2.37605255      2.67310649
  H     -0.82351451      2.82952923      5.43757575
  H     -5.24254604     -2.74654655      0.95021368
  O      0.18379468      1.55356893      4.87263196
  H     -1.48616604      0.58647303     -0.87778320
  H     -4.26557800     -3.28863993     -0.11958361
  O     -3.90097317      2.50086702      4.94810842
  H     -2.88205438      0.22390905     -0.30684696
  H     -1.76666687     -3.68548716      0.09735365
  O     -4.86606314     -3.56006420      0.58547365
  H     -6.19870910     -0.65821169      2.33007361
  H     -1.87939368     -4.15913719      1.55833986
  O     -1.24267040     -3.93040070      0.87052045
  H     -4.86412403     -1.39802457      2.62507178
  H     -3.25928437      1.34952030      1.91283734
  O     -2.63570487      1.60500397      2.60415095
  H     -3.66581101     -5.28663311      3.01231173
  H     -3.13827869      1.90938421      3.36981612
          69
 Energy    -249.48972186590601     
  O     15.04326059     10.27395383    -16.21431564
  H     14.85819411      9.76828137    -17.01405554
  H     18.25953429      5.23189343    -12.61083625
  O     16.71100432      5.19784155    -13.45215613
  H     14.28161683     10.19910866    -15.62079635
  H     18.46657517     11.05991714    -16.75138205
  O     17.15004235     12.99690392    -10.57655555
  H     16.87178508      5.41632000    -14.37845533
  H     19.62265483     11.08402519    -17.78125159
  O     19.50432009      9.09631619    -14.83826698
  H     16.15436168      5.90338710    -13.10503289
  H     16.21430277      9.23253641    -15.26293498
  O     14.60469505      6.46530814    -16.55075564
  H     17.97974780     12.61062470    -10.26802253
  H     16.28838756      8.33849801    -13.98784120
  O     17.50792439      9.60091441     -9.04695635
  H     16.45153885     12.50141838    -10.13192891
  H     13.04570643      8.86882172    -14.25802379
  O     15.34618460      7.62262990    -12.53277134
  H     18.54772388      8.95492328    -14.74883215
  H     13.62242133     10.07658752    -13.48348083
  O     17.16550802     11.72543768    -13.02567325
  H     19.60708292      9.59562489    -15.65692153
  H     18.37426967      6.98251789    -11.42412868
  O     19.87251229      6.29781553    -14.85534802
  H     14.57241448      7.13866467    -17.24229914
  H     16.98394949      7.65344019    -11.57218294
  O     13.28542268      6.93344840    -14.22857371
  H     15.52710618      6.18715193    -16.50290885
  H     19.52928848     10.96428047    -10.79874873
  O     17.40638246      6.28931301    -16.05261879
  H     18.24491282     10.20779909     -9.19348951
  H     20.39549451     11.67340202     -9.73258981
  O     19.10362642      5.45174750    -12.17712269
  H     17.64081126      8.86827848     -9.66173030
  H     19.54204451      9.71205811    -13.13521169
  O     19.11449367     10.50292819    -17.22204578
  H     15.17140912      8.54490243    -12.28326599
  H     18.77967233      9.19114846    -11.88618100
  O     16.78262627      8.63417880    -14.75921445
  H     14.57488823      7.32500238    -13.03719952
  H     14.74827734     11.16204320     -8.66787407
  O     13.14800944      9.82732230    -14.28782081
  H     17.88646049     11.11354233    -12.82966811
  H     16.03192556     10.51524087     -9.24449715
  O     17.86379953      7.76991538    -11.19349506
  H     17.12949279     12.34172410    -12.27944708
  H     17.72616424      7.53547393    -17.61264799
  O     19.49710715     11.43893485     -9.95053159
  H     19.92843256      7.26357565    -14.83985795
  H     18.13370589      9.00774565    -17.88644756
  O     19.24688073      9.95758643    -12.24820556
  H     19.79008342      6.02196537    -13.93564689
  H     15.66772970     10.77910705    -12.53661367
  O     15.27042860     11.08271721     -9.46149209
  H     12.55467402      6.32461019    -14.16023791
  H     14.91690396     10.56845701    -11.19794464
  O     17.56984113      8.28696274    -18.19448045
  H     13.72794460      6.74686268    -15.07579260
  H     17.26134182     11.96812567    -14.88622447
  O     14.94957015     10.28198999    -12.11935010
  H     18.31992643      6.14350973    -15.76225610
  H     16.40916513     11.48452781    -16.07071293
  O     17.25603025     11.89721163    -15.84939213
  H     17.13457774      7.13287636    -15.65376978
  H     15.85983110      8.48799586    -18.45013451
  O     14.88788214      8.56306720    -18.44403809
  H     19.42354092      4.64950500    -11.77206589
  H     14.61090436      8.66516640    -19.35033065
          69
 Energy    -249.48911157170289     
  O     14.66949370     10.03579886    -10.78068516
  H     14.52933309     10.47355527    -11.63193844
  H     13.38862776      8.98439674    -10.01470621
  O     13.05687705     10.07481345    -16.65437439
  H     15.53198100     10.30379540    -10.44003833
  H     18.28218080      7.41381161    -14.92947407
  O     16.96782640     10.29581476    -14.13282375
  H     13.82293017      9.77309444    -17.15846867
  H     18.80954959      7.72182688    -13.51256160
  O     13.20109720      5.19047768    -12.59022420
  H     12.93708306      9.45106686    -15.92653224
  H     13.12126280     13.17555067    -15.79964019
  O     16.87975860      8.16072884     -8.36419826
  H     16.07572244     10.48396610    -13.80697749
  H     13.40051575     11.66657498    -16.01817337
  O     16.34198868     11.73780774    -16.50123053
  H     17.46506949      9.91700110    -13.39989699
  H     13.68783331      7.80853496    -14.39782187
  O     15.62537485      7.61185635    -11.85920945
  H     13.78434924      5.07874776    -11.82557376
  H     12.43302417      8.20521814    -13.58846750
  O     14.32924258     10.81985343    -13.39546605
  H     13.77343445      5.43318164    -13.32757354
  H     15.77210599      9.64563658    -18.89348568
  O     18.10437338      8.77942349    -11.99435845
  H     17.49665569      7.55457837     -8.80294561
  H     15.89485933     10.38235014    -17.53691020
  O     17.36076271      4.87910537    -13.48849613
  H     16.06093687      7.67433452     -8.22472992
  H     10.66296820      7.07240818    -12.17437835
  O     17.57821944      4.18591895    -10.90026332
  H     15.52403608     12.16014748    -16.20972042
  H     12.09880480      6.50633709    -12.29238083
  O     12.84769420      8.23014690     -9.74031433
  H     16.75003234     11.37560187    -15.70377110
  H     13.79555870      7.24260860     -8.67893551
  O     18.85904658      7.07983601    -14.23016190
  H     15.44493379      6.83798742    -11.30935257
  H     13.98821462      6.50136298     -7.33263733
  O     13.72683938     12.47363330    -15.57858386
  H     15.19446985      8.37427376    -11.45374808
  H     15.89091065      4.80850452    -10.48264410
  O     13.03616718      8.51115827    -14.27765426
  H     14.09708013     11.52019661    -14.01732831
  H     14.86881951      5.60414259     -9.58970204
  O     15.56749776      9.57047882    -17.96512326
  H     13.86179034     10.02250539    -13.68582858
  H     18.33470141      5.79405218    -10.25955848
  O     11.58334473      7.32368316    -12.16598301
  H     17.27430302      8.27357311    -11.99079967
  H     18.68774488      7.23163435    -10.69757218
  O     14.41235735      6.68894016     -8.16559439
  H     18.02661212      9.40332531    -11.26087009
  H     15.63613257      6.98153226    -14.95900064
  O     15.03767826      5.26147650    -10.47690144
  H     16.52470324      5.17973655    -13.85483558
  H     15.28681712      6.92738506    -13.44597587
  O     18.59516319      6.66246853     -9.92793850
  H     18.00757320      5.55104197    -13.75238913
  H     17.14698414      9.61839178     -9.20970366
  O     15.06923373      6.53907730    -14.31089796
  H     17.52479907      4.37309956    -11.85584408
  H     17.71503421     11.05921227     -9.27831900
  O     17.29600081     10.38134476     -9.80099633
  H     17.99153912      3.33205999    -10.80764825
  H     16.37553907      8.45632382    -16.68279421
  O     16.72202008      8.11723237    -15.84942271
  H     12.36708089      7.94384178    -10.52518347
  H     16.80273404      8.88511525    -15.26375126
          69
 Energy    -249.48867025124778     
  O     16.29500502      9.72654891    -15.02943131
  H     16.35025168     10.61125678    -15.40928704
  H     13.09971993     10.99364279    -13.10135672
  O     14.78177168      7.25295293     -8.86202693
  H     15.51228068      9.26723600    -15.36553234
  H     12.82394412     11.77837330     -9.30580444
  O     16.82356934     12.34854535    -15.78392367
  H     15.14962167      8.14719957     -8.73558504
  H     13.35311348     11.30261329    -10.67832925
  O     12.50230988      8.37967395    -10.17623557
  H     14.91576850      6.78020860     -8.04573812
  H     15.06009377      5.11900546    -14.27374577
  O     14.23157878      8.04738728    -15.72472832
  H     17.68198256     12.26273129    -15.32803825
  H     15.57987365      3.71811791    -14.66077119
  O     18.32303806      7.90386260    -15.20279271
  H     16.97718398     12.85226930    -16.57799346
  H     15.55321892      7.97020771    -11.78802457
  O     20.33866571      9.45749475    -14.21320780
  H     13.17937541      7.88876094     -9.69586751
  H     15.36148299      6.99237744    -10.58991661
  O     17.70251456      6.19669399    -13.06997622
  H     12.68042805      9.31064666     -9.99552427
  H     17.10310217      6.95001576    -16.44743394
  O     11.56373573      7.56552982    -12.58418267
  H     14.07525282      7.47777969    -14.95908677
  H     16.17768552      5.76317613    -16.16185998
  O     15.58694864     13.04434373    -13.29526296
  H     14.85286110      7.55436435    -16.28102484
  H     18.36150884     13.30684005    -11.10927639
  O     12.45418590      9.74974704    -14.22672806
  H     18.14480244      7.29900766    -14.46832073
  H     17.94199494     11.83314349    -11.30784203
  O     13.53568752     11.48197741    -12.38753805
  H     17.63519821      8.58776108    -15.16836932
  H     15.92576271      9.66232725    -13.29923621
  O     13.31592434     11.08072369     -9.73111175
  H     21.19049643      9.26288343    -14.59669251
  H     14.85093643     10.20539924    -12.32511644
  O     15.82841917      4.63869834    -14.62467237
  H     19.69185921      8.88852028    -14.66531589
  H     18.81237548     12.25862659    -13.40950960
  O     15.58239783      7.03588581    -11.52679065
  H     17.02719314      6.48891326    -12.43877073
  H     19.53749342     11.17610296    -14.24936230
  O     16.30239143      6.51143575    -16.75934833
  H     17.26451880      5.51726956    -13.59586743
  H     16.91871809     10.02548977    -11.29428709
  O     18.01430729     12.69412074    -11.75280392
  H     10.64529810      7.33100647    -12.48022387
  H     18.33507575      9.52986714    -10.93381996
  O     15.60774759      9.61158407    -12.38706276
  H     11.88027360      7.85284291    -11.70878547
  H     14.45245413      6.49593659    -12.79475824
  O     19.06088907     12.01258170    -14.30973457
  H     16.36773831     12.99318313    -12.73073527
  H     12.98645403      6.57227499    -13.26625675
  O     17.66991475     10.19379141    -10.70327411
  H     15.90739312     12.91002291    -14.19508362
  H     19.78387106      8.70048294    -12.52814308
  O     13.86281486      6.26532372    -13.52913513
  H     12.06161053      9.04681046    -13.69347215
  H     18.94356551      7.47849344    -12.12015438
  O     19.35042018      8.28051043    -11.77458858
  H     12.97003714      9.29907225    -14.90520794
  H     14.94668800     10.33759399     -9.05182345
  O     15.67874889      9.79383397     -8.73403160
  H     14.17289562     12.10950026    -12.76194646
  H     16.44245483      9.98730482     -9.29320962
          69
 Energy    -249.48811935948834     
  O     11.43973371      9.72230977    -14.09481258
  H     11.34010181      9.18322474    -13.30153911
  H     18.78201005      9.25598565    -15.48072896
  O     16.31685111      7.14450363    -13.61078187
  H     11.65973828     10.61502081    -13.80190032
  H     14.59457345     12.69365861    -15.55098844
  O     17.05760512     10.58402849    -11.29120787
  H     17.11642026      7.50633306    -13.20461054
  H     13.49761256     12.21688684    -16.51941813
  O     16.28759981     12.04630168    -15.28805062
  H     15.78143364      6.77874959    -12.89575357
  H     14.48309775      9.23004420    -15.21487781
  O     13.44742971      6.10031461    -15.99696797
  H     16.19954182     10.77709867    -11.69569094
  H     15.58027124      8.59948481    -14.28057920
  O     13.70375712      8.76626447    -10.63896871
  H     16.84961790     10.22245761    -10.42158884
  H     10.49138304      7.57927250    -11.53521095
  O     14.88109610      6.30468033    -11.41631501
  H     17.04503721     12.16267145    -14.69881653
  H     11.74657714      7.23392677    -12.37279887
  O     14.49884244     10.74610116    -12.39159955
  H     15.95374302     11.15840242    -15.10444458
  H     17.87555996      7.24454331    -10.86101414
  O     16.38220710     11.10433505    -17.95826857
  H     13.12155534      5.37606691    -16.52566589
  H     16.96035811      7.60102572     -9.67898003
  O     17.38060049      8.95080138    -16.59497988
  H     14.40649201      6.15244539    -16.15625259
  H     12.99746359      6.03281431    -14.11834189
  O     16.13337800      6.37783573    -16.25972204
  H     13.96649758      9.47634707    -11.24402055
  H     13.48207646      5.91099138    -12.64364624
  O     19.43884808      9.44210368    -14.79046424
  H     12.80791205      8.51671982    -10.89773901
  H     18.84324093     11.09067945    -13.92985018
  O     13.64121265     12.72964217    -15.71607827
  H     15.72439209      6.27788023    -10.94006195
  H     18.07152776     11.54287632    -12.67118601
  O     15.28027662      9.41992929    -14.70069611
  H     14.44736047      7.12060946    -11.13072920
  H     18.92218059      8.68482300    -13.14850293
  O     11.31095063      7.94130458    -11.86179693
  H     13.80486439     11.37763335    -12.61702902
  H     17.99248229      9.16942906    -12.00561261
  O     17.29752124      6.85638588    -10.19267727
  H     14.72616185     10.28338240    -13.21004946
  H     15.11170394      9.01099230     -9.49471429
  O     12.70602943      6.05868031    -13.20041727
  H     15.43057729     11.03342021    -18.09878383
  H     15.77841280      9.35988361     -8.14616633
  O     18.39604088     11.84545365    -13.52773703
  H     16.47796251     11.61506343    -17.14207472
  H     12.87858847     10.88037280    -18.65394937
  O     18.43151595      8.38765581    -12.37206692
  H     16.66930656      9.02847892    -15.94606203
  H     13.27494053     10.13029190    -17.36333998
  O     15.96718298      9.16122318     -9.06030165
  H     17.17394007      9.62963306    -17.25459340
  H     11.94474171     13.09595867    -13.08838800
  O     13.49072988     10.89536481    -17.92211909
  H     16.63729861      7.09079284    -16.66660426
  H     12.80472426     12.51405362    -14.23690522
  O     12.40173340     12.30942547    -13.37242202
  H     16.30110801      6.46697567    -15.30912431
  H     13.03313638      7.89886800    -16.15795692
  O     12.98713000      8.86223045    -16.14154824
  H     20.29446161      9.40137079    -15.21144485
  H     12.35814189      9.13180492    -15.45192079
          69
 Energy    -249.48799912587049     
  O     10.98603290     10.08354585    -14.05466075
  H     11.27715112      9.69728689    -13.20849325
  H     16.17959114      5.41451912    -15.47390465
  O     16.01824786      6.58527831    -12.96284704
  H     10.07866047     10.35084490    -13.93439247
  H     14.07023515     10.99115135    -17.19302070
  O     17.66353496     10.63945721    -13.71392270
  H     15.54152203      6.57377239    -12.12342767
  H     15.28084655     11.70578111    -16.56398250
  O     17.18437680     11.32341500    -16.33303142
  H     15.78208796      5.81052689    -13.48649432
  H     15.49125035      8.56712348    -15.40279502
  O     12.80016740      5.77380444    -14.47514095
  H     16.74977832     10.73830315    -13.40207549
  H     15.26863679      7.81691605    -14.04748437
  O     16.61845561     10.24410418     -9.06088094
  H     17.88103677      9.69569172    -13.71181696
  H     11.92473979      7.95333339    -11.77071335
  O     14.65402562      6.84988303    -10.60106446
  H     17.41176834     11.15280006    -15.40376209
  H     12.62022283      9.24067482    -11.27680979
  O     15.00366110     10.73822767    -13.02749239
  H     17.82248081     11.95316638    -16.65909579
  H     18.69005525      7.66561142    -10.46875504
  O     16.29062593      8.77496368    -17.07604480
  H     13.65252729      5.46012499    -14.79932239
  H     20.22615838      7.51098761    -10.55753368
  O     17.22704063      7.48274219     -9.50747538
  H     12.57322759      6.55605429    -14.99384748
  H     11.56475400      5.44582413    -11.59598813
  O     17.47324691      6.51830872    -15.95665809
  H     16.77187290     10.83133573     -8.32569036
  H     12.43852562      5.93456842    -12.77376086
  O     15.46938546      4.86461538    -15.09686186
  H     17.28012122     10.46641647     -9.74023770
  H     18.89546512      7.87232945    -12.78489620
  O     14.32703933     11.77149240    -16.68944338
  H     14.53786787      7.81310672    -10.58913786
  H     17.52151646      7.43592114    -13.31091912
  O     14.93385410      8.52224801    -14.61594375
  H     13.81102029      6.47733697    -10.88821819
  H     18.98670040      9.76022051    -10.97532545
  O     11.86120406      8.91564065    -11.77694400
  H     14.93292059      9.95616417    -13.59591987
  H     18.31302240     10.79671161    -11.89206860
  O     19.47576908      7.90802919    -10.99127838
  H     14.34398548     11.36707373    -13.35444593
  H     13.12997942      8.89247267    -17.23302388
  O     12.24664514      6.07050926    -11.82920338
  H     15.44575123      8.89906649    -17.52788239
  H     13.14349917      9.12518993    -18.76169985
  O     18.33137765      7.90534290    -13.56710550
  H     16.67485718      9.65068762    -16.93369677
  H     15.02318295      9.89473178     -9.97822007
  O     18.52591223     10.60902466    -10.97044924
  H     17.00661120      8.37607289     -9.21263629
  H     14.59336380     10.04817696    -11.45248293
  O     13.65819281      9.24680810    -17.96808791
  H     16.39234947      7.08594408     -9.78275562
  H     12.28249908     11.52800937    -14.23751677
  O     14.35985681      9.61175387    -10.61850330
  H     17.14701169      7.24395658    -16.50680657
  H     13.40598241     12.09460742    -15.14173607
  O     13.02548505     12.14158734    -14.25138345
  H     17.96556810      6.93683709    -15.23973207
  H     11.83523310      8.92240833    -15.20487752
  O     12.43618092      8.33284956    -15.67858526
  H     15.67504584      3.96226841    -15.32723523
  H     13.29816118      8.41210171    -15.23640521
          69
 Ord_Energy   -249.487732    
 O   -5.35153151      -1.62164998       5.50808430    
 H   -6.21493530      -1.21874571       5.55051947    
 H   -4.71181679     -0.905506313       5.35478926    
 O   -2.85102248      -5.41152716       2.09426403    
 H   -3.42819619      -4.82965755       2.60528231    
 H   -2.23907638      -5.79352140       2.73511529    
 O    2.46444225      -2.44085741       1.70864904    
 H    1.88832307      -3.00691485       2.24726772    
 H    3.16298723      -2.99994135       1.37577128    
 O   0.469068497       1.28681087       2.56978393    
 H    8.93225074E-02   1.99744809       3.11139607    
 H   0.151977554       1.38038087       1.66479564    
 O   -1.86970472     -0.622983813       7.30734301    
 H   -1.22578704      -1.15022230       6.81992292    
 H   -2.45226002     -0.227801606       6.64085436    
 O    2.08165789     -0.492060572       6.12257624    
 H    2.33324599     -0.368028969       5.18817997    
 H    2.88310456     -0.444738925       6.63608027    
 O  -0.903026581      -6.02756643       4.15425539    
 H  -0.742928445      -6.86366510       4.58463478    
 H   -1.33829629      -5.45307398       4.80846167    
 O   -1.21749651     -0.654234529       3.63755393    
 H  -0.645287991       2.84912996E-02   3.26342940    
 H   -1.78127480      -1.00017357       2.93398237    
 O   -4.28879596E-02  -2.14815879       5.51263094    
 H  -0.462474465      -1.59349597       4.83097601    
 H   0.747615218      -1.68166256       5.81504917    
 O   -3.96239352      -3.39182234       3.82373500    
 H   -3.26023579      -3.63499761       4.44194794    
 H   -4.59942055      -2.88247347       4.33977032    
 O   -3.02820277      -1.68908882       1.82102168    
 H   -3.47141266      -2.23626041       2.48406982    
 H   -2.41532063      -2.27920961       1.36222517    
 O  -0.606949389       1.11048472      -2.14259103E-02
 H  -0.381760687       1.53259873     -0.846237779    
 H  -0.268521816      0.198329404      -7.22920075E-02
 O    2.57084084     -0.223332658       3.50422931    
 H    2.64806366     -0.946078837       2.87247658    
 H    1.90967190      0.384508610       3.14007163    
 O   -3.66570330      -2.84177089       7.51303005    
 H   -4.38147783      -2.49896765       6.96435928    
 H   -3.09544873      -2.08235526       7.69206047    
 O   -3.38215995      0.266533136       5.11491823    
 H   -2.62033653      -6.11018017E-02   4.61455679    
 H   -3.57735467       1.13297248       4.73613358    
 O   -1.99731135      -4.11236477       5.75549078    
 H   -2.60291576      -3.82902741       6.45618057    
 H   -1.27365482      -3.47103691       5.73958635    
 O   -3.56212997       2.56845903       3.59584069    
 H   -4.11289215       3.31561565       3.37914300    
 H   -3.41592431       2.07691169       2.76675129    
 O   -2.59694997E-02   1.47256041       6.52185249    
 H  -0.657880664      0.925361216       7.00027275    
 H   0.754307508      0.918006659       6.40652466    
 O   0.377780020      -1.41895080      -7.29133002E-03
 H    1.17482543      -1.63311517      0.490825206    
 H  -0.204474673      -2.18017316      0.114433162    
 O   -3.10725665       1.08927774       1.35984921    
 H   -2.30648899       1.18250525      0.829625309    
 H   -3.25042033      0.137175336       1.44269693    
 O   -1.13925064      -3.55550551      0.987366676    
 H   -1.76557565      -4.27257967       1.16475487    
 H  -0.528419971      -3.56402946       1.73534775    
 O  -0.764888465       2.97184372       4.27735090    
 H  -0.556643248       2.53306222       5.11623240    
 H   -1.71802676       2.91672444       4.15178728    
 O   0.620670080      -3.81842661       3.25984311    
 H   0.492615432      -3.24017811       4.02182674    
 H   0.232398644      -4.67044449       3.49781060    
          69
 Energy    -249.48764535553460     
  O     15.36949691      2.06520328    -14.22122341
  H     14.87981699      1.24687200    -14.19739741
  H     21.32447570      6.61553899    -15.23456328
  O     16.66370481      8.33546065    -12.80527785
  H     15.06715615      2.55176079    -15.00994395
  H     16.84281956      6.40172773    -17.08025823
  O     19.56173729      5.47180571    -17.59608308
  H     17.40309223      8.54979659    -13.39316727
  H     17.16680512      7.70056484    -17.84815389
  O     18.50514919      2.83357823    -17.83109031
  H     15.90521093      8.17714786    -13.38373292
  H     15.79333252      4.93820501    -15.73482083
  O     12.71267344      7.22547908    -10.75041426
  H     19.31998946      4.54383333    -17.69973921
  H     17.10951978      5.37970724    -15.01390336
  O     14.95987583      4.21366347    -12.43411006
  H     18.77384689      5.97395541    -17.84681362
  H     12.40817674      5.32857802    -14.87864316
  O     14.66019122      7.66642013    -14.61171859
  H     18.91292656      2.06629892    -18.22370332
  H     11.79808636      5.64305493    -16.25389527
  O     18.56571677      4.80817347    -14.02462722
  H     18.34028929      2.61509326    -16.89654102
  H     15.60842122      5.58865874     -9.28808946
  O     14.09882417      4.86727497     -9.83116613
  H     12.06109209      7.74621991    -10.28877224
  H     16.75271220      5.86011621     -8.28044698
  O     17.33020358      9.47491913    -17.23933549
  H     13.56427498      7.68800284    -10.64954658
  H     15.01828001      3.74126937    -17.18944775
  O     18.04319851      2.36309539    -15.20384899
  H     15.15289707      3.43797646    -12.97341292
  H     13.79107239      4.06869177    -16.24150510
  O     20.37431679      6.54425826    -15.26291664
  H     15.77966272      4.71301999    -12.31730595
  H     18.22073613      8.98346841    -15.59458209
  O     17.10068098      6.74446767    -17.95034553
  H     15.27444162      7.00498007    -14.96749383
  H     19.22069349      8.01691316    -14.92474862
  O     16.33737341      5.70010466    -15.49520456
  H     13.97616272      7.17316785    -14.14393837
  H     17.05682261      6.68696613    -12.18552622
  O     12.31345985      4.99207983    -15.78294100
  H     19.25884222      5.40504737    -14.33379925
  H     17.11722999      5.83701856    -10.88875193
  O     16.44146422      6.07581851     -9.15495529
  H     18.24422105      5.12559841    -13.16949498
  H     15.67007196      7.70041426     -9.88626751
  O     14.64432409      3.61684618    -16.30433061
  H     14.32655213      4.46411292    -10.68057463
  H     15.72111696      8.49945722    -11.20312658
  O     18.57020163      8.70487726    -14.74019636
  H     13.49228125      5.58769229    -10.04181862
  H     16.89062439      3.64743403    -18.41758730
  O     17.22250897      5.79448808    -11.84633216
  H     16.45244462      9.69972535    -16.88536802
  H     16.33884832      5.07240015    -18.59161632
  O     15.17492946      8.33095074    -10.42336358
  H     17.61037430     10.21596626    -17.77065295
  H     13.63714991      5.30431359    -13.00141725
  O     16.07577582      4.14370439    -18.57274022
  H     18.32896757      3.16055107    -14.73461925
  H     12.72156009      6.40952387    -12.42029486
  O     12.95387220      5.95082562    -13.23697392
  H     17.18583674      2.13384417    -14.82910569
  H     14.46402565     10.66415042    -15.64968003
  O     14.88908910      9.94953942    -16.11735558
  H     20.14502444      6.16391464    -16.13090889
  H     14.72297698      9.14952913    -15.59187374
          69
 Ord_Energy   -249.487427    
 O    1.74034882       6.42014217      -5.05496120    
 H    1.84082699       7.36645842      -5.10939741    
 H    1.90415430       6.16786003      -4.12794399    
 O   -3.98040891       1.98363161      -6.21821260    
 H   -4.30700254       2.79494786      -5.81051350    
 H   -3.48397994       1.53072596      -5.52282858    
 O    2.83424830       2.05407429      -7.41502666    
 H    3.14837909       2.84289789      -6.95220470    
 H    1.92356384       2.25294566      -7.66132069    
 O   -1.22208405     -0.249594465      -2.06323242    
 H  -0.583335936     -0.916080892      -2.34238529    
 H  -0.761531234      0.302662462      -1.41979659    
 O   -2.65860581       2.74713993      -8.46698761    
 H   -3.10204124       2.40677333      -9.23932266    
 H   -3.13933516       2.40206814      -7.69267321    
 O   0.344341815       1.46980274     -0.394143939    
 H   0.203462362       1.76047754      0.503319979    
 H   0.295304418       2.26113367     -0.956205070    
 O    3.64192128       3.25661711E-02  -5.64753628    
 H    3.39629173      0.682831705      -6.32313299    
 H    2.95604515     -0.641492128      -5.66136026    
 O   -2.03648191E-02  0.720166922      -5.54940128    
 H  -0.871272385      0.804651916      -5.09793901    
 H   0.612973750       1.27419996      -5.06768417    
 O   -4.44652939       4.58096313      -5.05500793    
 H   -5.21790504       5.12953806      -4.94356632    
 H   -3.96009588       4.93008375      -5.82379770    
 O   0.866594911      -2.06175876      -2.88605976    
 H    1.02773702      -1.98225331      -3.83900833    
 H   0.892073095      -2.99402857      -2.68174386    
 O    1.25945222      -1.66077912      -5.60960197    
 H    1.09096193      -2.14051008      -6.41664839    
 H   0.760932446     -0.825818896      -5.66886568    
 O    3.34015751       4.19388676      -5.66542578    
 H    2.87629509       5.03826571      -5.60676813    
 H    3.92074203       4.14356089      -4.89445019    
 O    1.68374145       2.40000415      -4.19882727    
 H    2.41143990       1.88971674      -3.81897473    
 H    2.09526396       3.03147864      -4.80138493    
 O   0.234576270       3.54682803      -2.17616892    
 H   0.736323237       3.12288141      -2.89144206    
 H  -0.626343846       3.77329469      -2.55181932    
 O   -2.01179266       3.95118570      -3.75335240    
 H   -1.43349731       4.24557590      -4.47436953    
 H   -2.90535784       4.21039963      -4.00767565    
 O    4.04315996       1.24738276      -3.24316978    
 H    4.04400301      0.753805041      -4.07882547    
 H    3.59994626      0.714172661      -2.56619382    
 O    2.44675851     -0.111525342      -1.51373696    
 H    1.95926416     -0.822406590      -1.94721580    
 H    1.78760207      0.418544918      -1.04938626    
 O   -2.32037973       1.17197907      -4.12507582    
 H   -2.04699945      0.651319504      -3.35516715    
 H   -2.20547390       2.10710001      -3.90719581    
 O   -2.88173342       5.29779959      -7.16412830    
 H   -2.00833082       5.31540346      -6.74834204    
 H   -2.85836196       4.54092360      -7.76277018    
 O    1.16869099E-02   2.64337564      -7.54489088    
 H  -0.841782689       2.67226148      -7.99542665    
 H   -3.84868607E-02   1.90485132      -6.91979790    
 O  -0.438831419       4.83128119      -5.85985851    
 H  -0.146722287       4.12323952      -6.45101166    
 H   0.310224265       5.40258646      -5.65590000    
 O    4.63672781       3.89490747      -3.15760660    
 H    5.53195524       4.04763126      -2.86665201    
 H    4.49516964       2.93199396      -3.12778640    
 O    2.28360009       5.47572613      -2.57259011    
 H    3.08211803       4.93653822      -2.63490558    
 H    1.57486475       4.88995790      -2.27641225    
          69
 Energy    -249.48717998512527     
  O     16.94328706     11.69487129    -16.48280600
  H     16.48740100     12.44895540    -16.87636627
  H     15.86484383     14.70738105    -16.75564762
  O     17.68874385     18.06131291    -15.31303479
  H     17.86951492     11.78297468    -16.73921097
  H     17.78805633     11.56395271    -10.83032064
  O     19.68771537     12.25574554    -17.24393109
  H     18.28741259     17.95397130    -14.55398385
  H     17.88734751     12.96330794    -10.21181732
  O     19.32717935     14.24933158    -10.36422631
  H     17.43942102     18.98177700    -15.33592948
  H     22.27037398     17.34868175    -12.14595234
  O     14.99975553     15.43354880    -12.67252935
  H     19.32736854     13.04225817    -17.69599215
  H     21.50041012     17.14363794    -10.83060282
  O     18.82848533     10.49892395    -12.06389093
  H     20.13900483     11.74021577    -17.90691104
  H     20.73010534     12.83819961    -13.13164733
  O     15.08469654     12.60623614    -12.05227654
  H     19.79791953     13.70961697    -11.01673103
  H     20.17896004     11.81011173    -12.11353866
  O     18.55241942     14.40962196    -18.34298361
  H     18.72378868     14.83221904    -10.85015325
  H     16.80232810     11.38952028    -14.76038589
  O     21.15701573     16.06847410    -14.87536742
  H     14.94793686     14.48275482    -12.51179592
  H     16.12123398     11.70434257    -13.36173206
  O     21.42864410     15.76784850     -9.49354054
  H     15.21434053     15.53664906    -13.60845955
  H     18.85322164     17.22335480    -16.61192793
  O     20.59187083     13.37344012    -14.84700665
  H     18.17208763     10.72854608    -12.74518585
  H     20.19599863     16.49599972    -16.45427595
  O     15.81227831     14.11458246    -17.52427647
  H     18.91059934      9.54875340    -12.06940772
  H     24.36310397     16.33072103    -13.36114383
  O     17.25955272     12.26318113    -10.42628565
  H     15.81653162     12.53695084    -11.41288577
  H     23.29190139     15.47948241    -12.63719676
  O     21.54775575     17.70475683    -11.61462691
  H     14.31042001     12.25767708    -11.61652624
  H     20.07999042     17.69360556    -12.62917579
  O     20.71014075     12.61179525    -12.19003778
  H     17.60102087     14.38822124    -18.19261484
  H     18.73475758     16.91235687    -12.71578070
  O     16.91160668     11.36055166    -13.79676747
  H     18.87887982     15.24292512    -17.97056217
  H     22.24424748     13.58500137    -11.67881921
  O     19.48826837     16.67518520    -17.08636414
  H     20.50960833     16.51480278    -14.31174855
  H     22.51379213     14.73832760    -10.69101992
  O     23.42257886     16.23223822    -13.24170833
  H     22.01006268     16.15690628    -14.43122162
  H     18.91309504     13.80242603    -14.38094889
  O     19.34415490     17.47146982    -13.21820062
  H     21.46867381     15.84578763     -8.54393447
  H     17.62661616     13.06287015    -13.94690517
  O     22.88604771     14.26910519    -11.44836244
  H     20.63418729     15.24584738     -9.69853934
  H     16.87470146     15.04471199    -14.91826090
  O     18.01244507     13.93906989    -14.06306724
  H     20.86591173     14.29302178    -14.97767875
  H     16.62899896     16.51727430    -15.33929028
  O     16.21355048     15.64705762    -15.29359523
  H     20.38684705     12.97649327    -15.70338577
  H     17.85942092     15.02150107    -12.67899524
  O     17.65749941     15.67436449    -11.98901022
  H     14.99035915     14.30912258    -17.96706586
  H     16.69690266     15.77060157    -12.01746066
          69
 Energy    -249.48612314475122     
  O      2.47054328      1.20337860     -0.80548954
  H      3.02684404      0.41925569     -0.88870590
  H      2.47071381      0.64307260     -6.19277515
  O      5.82229949      3.55747385     -6.80618063
  H      2.16656863      1.39759342     -1.70405671
  H      0.46474230      3.92891250     -1.57620968
  O      1.83560370      1.85679801     -3.42459095
  H      6.00033370      2.83771790     -6.18033278
  H      0.98769335      3.38245503     -2.91383250
  O      1.03684870      5.72491312     -4.84192519
  H      4.91696326      3.85209367     -6.64959903
  H      5.73600748      0.80589693     -4.66118253
  O      7.11638595      5.72299443     -5.69757731
  H      1.77659164      1.18717415     -4.11436843
  H      6.91836340      1.70600825     -4.16521449
  O      2.58268461      7.90381006     -3.67384990
  H      2.70098297      2.28453217     -3.52881605
  H      7.42177228      5.14415584     -3.92446564
  O      5.03431794      4.87798305     -1.78471553
  H      0.72944078      5.23095690     -4.06991509
  H      6.69211733      4.95368809     -2.56966436
  O      0.64250627      3.23068317      0.11689977
  H      1.39838647      6.54987056     -4.49808164
  H      2.52673428      6.81875503     -2.19434881
  O      2.64254418      5.12024518      1.02930219
  H      6.74325431      4.95053334     -6.15469162
  H      1.90869274      5.42165094     -1.91417724
  O      8.01984798      2.14475723     -2.72558170
  H      7.77388941      6.09436936     -6.28075246
  H      5.75591039      1.83006641     -0.34088513
  O      3.14608662      1.89303578     -7.24018092
  H      2.49115755      8.83528233     -3.85459325
  H      6.84935349      1.48392164     -1.39213450
  O      2.12597684      0.01785292     -5.53169575
  H      3.33711722      7.58683757     -4.20283616
  H      3.49416661      3.98912335     -5.17956016
  O      0.68211542      4.19260881     -2.48192566
  H      4.24052865      5.42744734     -1.76390468
  H      2.31351848      4.83757403     -5.72871338
  O      6.22460789      1.62711903     -4.83146606
  H      4.92195765      4.22019465     -1.08326596
  H      5.44747256      6.58361469     -5.30921476
  O      7.51580834      4.76749500     -3.04180490
  H      1.22573406      3.83217427      0.59438175
  H      4.03878531      6.04510184     -5.59355656
  O      2.52515346      6.08417413     -1.56788004
  H      1.16139551      2.43067900     -0.03863089
  H      4.91738696      2.62360797     -4.08781473
  O      6.22570101      1.10050996     -0.76426823
  H      2.59726427      5.79758127      1.69940883
  H      4.51835825      3.78378835     -3.11538134
  O      3.14016289      4.40140734     -5.98488268
  H      2.59608108      5.57273633      0.17041436
  H      3.86406433      3.70467943      0.64716658
  O      4.51265728      6.79387308     -5.21056033
  H      7.90334835      3.10821945     -2.81506143
  H      3.69959074      2.40950033     -0.17990003
  O      4.18527934      3.17770404     -3.78781017
  H      8.95599883      1.98645351     -2.63681438
  H      4.48152868     -0.63567373     -3.26498882
  O      4.35821442      3.03364548      0.16065410
  H      4.05128309      1.94446109     -7.55089784
  H      3.75430927     -0.42806141     -4.61840412
  O      4.62460918     -0.47783298     -4.20613670
  H      2.94280153      2.77798263     -6.90479068
  H      4.60526024     -1.60837561     -0.92057494
  O      4.39617730     -0.79173014     -1.36659651
  H      1.53858501     -0.57437117     -5.99392780
  H      5.10933307     -0.16327016     -1.14919188
          69
 Energy    -249.48585842837443     
  O      3.39450599      6.01736033      3.26052073
  H      3.48576425      5.10111597      2.97372927
  H     -0.37620830      3.82503952     -0.68162239
  O      0.42945812     10.32879144      4.61647945
  H      2.63304889      6.38880070      2.78807475
  H      0.75432872      6.35762032     -3.72819981
  O      1.17918694      9.98042299      1.94175369
  H      0.32406116     11.11417778      5.14633744
  H     -0.33842747      5.39375759     -3.22926998
  O     -1.57400668      8.32993020      4.24298948
  H      1.23531042      9.87936707      4.93295320
  H     -1.70130503      9.62665701      0.78043098
  O      2.46031055      4.79331786      0.00899123
  H      0.92597299     10.22381130      2.83999583
  H     -0.74090728      9.50890594     -0.42820835
  O      4.48297742      8.60443534      3.26339479
  H      0.40999636     10.11038827      1.36517781
  H      2.60210367      4.09945506     -1.72540980
  O      2.68627336      6.54510327     -3.63331763
  H     -0.92142103      9.01575593      4.43182660
  H      2.63631802      4.69827598     -3.13785204
  O      0.00890269      5.96717026      4.41284032
  H     -1.15689825      7.48532472      4.45340219
  H      2.86500644      6.08856326      4.97591429
  O     -0.25876442      3.56617328     -2.54397008
  H      2.89409091      4.31728184      0.72558319
  H      2.96005247      5.69567054      6.46938135
  O      0.58403657      3.55825026      2.89127089
  H      1.51642054      4.59399820      0.09511461
  H     -0.23964353      7.55508014     -2.23934914
  O     -1.13813688      6.62753798      0.59044813
  H      4.29234784      8.92362291      2.37468023
  H      0.89511780      7.95196573     -1.26739013
  O     -0.24289368      4.09194137      0.23595390
  H      4.30100395      7.65486639      3.23922757
  H      2.56741857      8.12401649      5.66138970
  O     -0.18803355      6.29951744     -3.52449822
  H      3.25822178      7.06363706     -4.19325047
  H      3.34294440      8.99268481      4.64646492
  O     -0.99140571     10.08126561      0.31019007
  H      2.75676264      6.91781260     -2.73841921
  H      3.92005332     10.31746470      0.33711920
  O      2.44368658      3.88465903     -2.65521554
  H      0.36792597      6.43274020      3.64121468
  H      2.71061021      9.76185498      1.12283955
  O      2.45084735      6.20950172      5.84772746
  H      0.70916339      5.99280516      5.07679959
  H      0.37339680      6.93242303      1.59311830
  O     -0.04198507      8.09113388     -1.45729903
  H      0.71002381      3.58174213     -2.64359135
  H      1.15468025      8.14334144      2.15424715
  O      2.65205460      9.02259134      5.32458165
  H     -0.57721624      2.83121109     -3.06179455
  H      2.28059265      3.38099672      2.59876345
  O      3.53857448      9.51082056      0.67623395
  H      0.15961408      3.64755482      2.02701458
  H      3.56540289      2.52040857      2.47388822
  O      1.11024866      7.17900932      2.16666430
  H      0.25586601      4.27502960      3.44669576
  H      3.04659805      8.06741009     -0.41362135
  O      3.22440587      3.40129906      2.35092499
  H     -1.81133310      7.16386618      1.02639608
  H      2.64548180      6.55666390     -0.53545490
  O      2.66511579      7.40482131     -1.00170987
  H     -0.82668037      7.12699447     -0.17908124
  H     -2.41196219      8.44103703      2.73585791
  O     -2.81368223      8.46513676      1.84857709
  H     -0.68922001      4.94504790      0.35251761
  H     -3.75559681      8.53955895      1.97406457
          69
 Energy    -249.48539124769894     
  O     14.88737568      8.89618834    -10.19706542
  H     14.70015260      9.75337266    -10.60776710
  H     14.04360177      4.63480054    -15.67703124
  O     12.57969843     11.52148469    -14.84502805
  H     14.10193686      8.34824275    -10.32141121
  H     17.30648847      4.21793778    -12.27052259
  O     16.74366353     11.02409358    -13.13160215
  H     12.40415671     10.73736421    -14.30992127
  H     17.79364918      4.28989034    -13.73521316
  O     13.57843174      5.21723696    -12.25600484
  H     12.75698932     12.23658912    -14.22104677
  H     12.91746553      6.61062001    -11.43900410
  O     17.97110053      5.91308440     -9.32727083
  H     15.90555590     11.00278402    -12.65230418
  H     11.88056220      7.09962979    -10.40411310
  O     15.80322531     13.25690071    -14.53908180
  H     17.43422409     10.77462994    -12.50144226
  H     18.54757407      7.56907703    -14.57232289
  O     16.17995413      7.54088652    -12.30992604
  H     14.38160736      4.97714712    -11.76944452
  H     17.60415597      8.22605164    -15.60440500
  O     14.26286505     11.05493047    -11.77972469
  H     13.81140242      5.15460295    -13.18779908
  H     14.39375448     13.52217929    -13.53832408
  O     18.91406785      7.71295664    -12.77710223
  H     17.85188915      6.86194932     -9.20057283
  H     13.36647414     14.39058959    -12.77106774
  O     18.55796189     10.05939446    -11.30794457
  H     18.71782736      5.80994940     -9.93051528
  H     12.40499755      8.67054118    -12.38070103
  O     17.22392561      4.90325286    -15.47594914
  H     15.51914942     12.82026310    -15.35108084
  H     13.22902399      8.78275248    -13.67924192
  O     14.51084846      5.17307612    -15.04217922
  H     16.31531293     12.59362996    -14.05425395
  H     14.35148627     11.83955526    -17.47200996
  O     18.06021665      4.02787281    -12.84771877
  H     15.59740993      7.65845820    -13.07010166
  H     13.88214606     11.52701088    -16.03193881
  O     12.59382843      7.39654007    -10.96351786
  H     15.81402147      8.06909426    -11.59014744
  H     16.64410909      5.18496914    -10.35976581
  O     18.11920753      7.42920492    -15.42889093
  H     14.00984433     11.95460693    -12.01880045
  H     16.10386299      5.88150768    -11.61392259
  O     13.58387672     13.49076408    -12.99691889
  H     13.66753636     10.46471108    -12.26598973
  H     20.73336387      5.00268171    -11.36420872
  O     12.60588753      9.26549541    -13.11221385
  H     19.34877252      6.98188240    -12.32141837
  H     19.30924166      4.86990730    -11.95633556
  O     14.66590913     11.59429749    -16.60596435
  H     17.96436717      7.63941125    -12.58996322
  H     14.49005685      7.01925893    -14.86218672
  O     16.08860550      5.03641717    -11.13772557
  H     18.24660687      9.68157152    -10.47810665
  H     15.15407405      8.44884111    -15.00020741
  O     19.89364954      5.44848828    -11.43374593
  H     18.87602403      9.30787743    -11.82828574
  H     17.38487081      9.10093348     -8.12925497
  O     14.49905558      7.92122268    -14.52159059
  H     17.69851550      4.43650138    -16.15919907
  H     16.45694067      8.78854995     -9.32184203
  O     17.37438948      8.72930470     -9.00884581
  H     17.55405656      5.82094798    -15.48533735
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  H     16.60031374     10.09513190    -14.68018653
          69
 Energy    -249.48533183598897     
  O      0.86862965      0.12613820      2.95618016
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  H     -1.88624954      0.76297004      1.31666958
  O     -4.08050934     -2.43555685      3.78938884
  H     -4.16488292     -0.64952328     -0.60196968
  H     -3.08657720     -2.56739803      0.26159233
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  H     -2.69559590     -3.39173211     -3.20385553
  H     -4.63189489     -2.62306747      0.29814044
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  H     -3.06390350     -2.64664227     -1.90198081
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  H     -0.84899831     -2.11837048     -1.76541708
  H      1.26592543     -0.97278871     -0.12888917
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  H     -0.62428647     -2.09245529     -0.24698334
  H     -2.13737149      3.10768704      3.70101891
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  H     -1.99852541      1.90987727      4.64584554
  O     -2.34333309      1.97832806      0.03896579
  H     -4.04969674      2.90114386      2.68103571
  H      2.50975649      2.64979154     -1.37883335
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  H     -3.28067440     -2.97381339      3.82392011
  H      1.34632405      2.56824875     -0.35871600
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  H     -3.81829405     -1.55512569      4.08315622
  H     -1.13659134     -4.44020344      4.22553654
  O      1.80868451     -0.40663497      0.43161530
  H      1.49208662      3.42412285      4.08908644
  H     -1.11815096     -2.89236236      4.21798921
  O     -1.57680282      2.73804768      4.40104977
  H      0.05876594      2.86199989      3.91377186
  H     -1.67237192     -1.60712250      1.51375722
  O      1.85186175      2.06113817     -1.01989967
  H     -0.47488316      0.01435387     -1.54410398
  H     -1.48925899     -3.05997165      2.02594745
  O     -1.50241066     -3.67745831      3.78671398
  H      0.27590159      1.35307013     -1.74033244
  H     -5.21896162     -2.56839680      2.49069480
  O     -1.58713821     -2.53086646      1.22690033
  H     -6.05724106      2.07236894      3.94577922
  H     -6.54046434     -3.18068496      1.96436834
  O     -5.82480612     -2.59689920      1.72778974
  H     -5.59497324      1.18803536      2.76132297
  H     -6.06213448     -0.72276226      1.51346480
  O     -6.01812332      0.23372496      1.39569536
  H     -3.86997725      0.71815549      4.21252549
  H     -5.56416128      0.37825998      0.55516774
          69
 Energy    -249.48493406391401     
  O     13.22628228     13.57476247    -14.41640530
  H     12.65607933     14.32121433    -14.25229142
  H     17.96561573     10.35514961    -14.31482565
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  H     13.34190233     13.11584028    -13.56574480
  H     16.56098542      9.96248808    -19.92616158
  O     17.39934174     12.70123359    -12.26565549
  H     16.49180725      6.10508583    -14.47444525
  H     15.43786616      9.78324830    -18.87697334
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  H     14.28039551      9.63498020    -13.82588511
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  H     17.02462652     13.01359035    -13.10259053
  H     15.21156465      9.31336465    -12.61072521
  O     13.70367096      6.51736272    -12.41345426
  H     17.96813594     11.95140192    -12.46204833
  H     14.44181949     11.65703628    -16.54349634
  O     13.79037297     12.18152546    -12.15935470
  H     14.55637485      4.42979443    -14.58549596
  H     13.26698758     12.27250619    -15.76374543
  O     13.77901816      9.49820332    -18.36756204
  H     14.33705421      5.74338477    -13.79516652
  H     18.01636747      7.32739989    -13.08157901
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  H     14.07458770     10.01466151     -9.76779039
  H     18.89041568      7.06227725    -11.83356641
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  H     11.92810631      8.71517173    -13.50274464
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  H     12.91398969      7.06956290    -12.40728476
  H     10.62793838      8.21294803    -12.83588552
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  H     14.38863442      7.01155990    -11.94046453
  H     16.36220350     12.74303587    -10.90164854
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  H     15.91767195     13.45457259     -9.60030024
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  H     14.34707202     12.50291620    -11.43837340
  H     20.03069530     10.46370471    -12.78436755
  O     13.50266571     11.53583430    -16.34155881
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  H     18.86841329      9.46532696    -12.58278966
  O     18.37833035      7.73634193    -12.27385717
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  H     16.39060666     11.37943193    -17.69495343
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  H     16.64118738      8.01085732    -11.49256555
  H     16.64566450     11.35278741    -16.17316715
  O     15.69390462     12.74134738    -10.19130127
  H     15.55443519      8.73973941    -10.61150612
  H     12.72039630     10.94606725    -11.14594834
  O     19.08293893     10.37291004    -12.85150591
  H     16.91881545      8.72499285    -17.59833783
  H     12.09580447      9.54505759    -11.23588351
  O     16.23968722     11.87575953    -16.88282791
  H     17.08343613      8.95089610    -16.07935154
  H     15.18650975     13.72842046    -14.52935573
  O     12.44127817     10.19219821    -10.61057586
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  H     16.27190376     13.21678927    -15.47805724
  O     16.14009271     13.61281208    -14.60860552
  H     14.34365588      6.63635772    -15.89972990
  H     12.99045028     10.07378964    -15.39930009
  O     12.87767772      9.24391352    -14.91512792
  H     16.42161514     10.20564793    -14.31878146
  H     13.31341688      8.55153734    -15.43288183
          69
 Energy    -249.48479595691586     
  O     11.95321312     10.38267791    -15.67730392
  H     12.18338875      9.52939519    -16.07046284
  H     19.33480297      7.65973175    -14.85015254
  O     15.24684683      6.52412527    -12.41812315
  H     12.68092154     10.98157958    -15.88105678
  H     15.38601350     10.81765753    -17.04447274
  O     17.59001775     10.17124479    -12.82496444
  H     14.99057307      7.23564516    -13.02661029
  H     16.73797580     10.09044166    -16.85242222
  O     17.97844008      9.51107514    -15.57720805
  H     15.18905906      5.71430632    -12.94151988
  H     14.84108227      9.31040256    -14.16160024
  O     12.26728645      5.68713769    -14.85928226
  H     17.64114417      9.24292030    -12.55451467
  H     14.01971008      8.30269193    -15.01893732
  O     15.06597753     11.16155769     -9.55056031
  H     17.73258137     10.69144255    -12.02361949
  H     11.31042464     10.20002807    -14.08731716
  O     13.59209765      7.77871297    -10.64246519
  H     17.92750906      9.82849069    -14.66562517
  H     10.11396037     10.39408536    -13.12504038
  O     15.08848609     11.03542392    -13.59050326
  H     17.57680341      8.63450191    -15.57784978
  H     17.81220735      8.14334584    -10.28950106
  O     16.53030063      6.87518045    -15.81077504
  H     12.06640702      6.22899983    -14.07460004
  H     17.81603615      9.55865327     -9.67972483
  O     15.15279223      8.52760382     -8.41934124
  H     11.57401095      5.03487444    -14.92350807
  H     11.38351566      8.19114077    -12.90980452
  O     14.95994723      4.73280684    -14.49174450
  H     14.38156410     11.07550448    -10.22639061
  H     12.22867267      7.35212584    -11.93574700
  O     19.00609595      6.85087084    -14.45059456
  H     15.02561024     10.34403520     -9.03808911
  H     18.33693658      7.18467442    -12.76519822
  O     15.97231664     10.16212519    -17.43912727
  H     14.20642508      7.24254428    -11.16669296
  H     16.93581475      7.08320565    -12.09844197
  O     14.73054929      8.37631454    -14.37022167
  H     14.03452734      7.95802424     -9.80371485
  H     16.72787050     11.39712202    -10.04928653
  O     10.99937368     10.04428207    -13.17753183
  H     14.48016106     10.88763672    -12.85223907
  H     18.06981430     12.15311563     -9.89699571
  O     17.64973996      8.63195701     -9.47084313
  H     15.98261850     10.80978237    -13.29827362
  H     15.44408060      8.61209932    -17.95996209
  O     11.69956325      7.29535835    -12.74058805
  H     16.19325549      7.00489046    -16.70591745
  H     15.27573357      7.54938689    -19.07587659
  O     17.80186460      7.50893082    -12.02871702
  H     15.93641587      7.38118469    -15.23359492
  H     13.41971673      9.48002131    -11.28228948
  O     17.66534593     11.39747594    -10.31429878
  H     15.18453229      8.23037799     -7.51404298
  H     12.45543037     10.39004184    -12.07821520
  O     15.16813294      7.69312149    -18.13986932
  H     16.06482975      8.48736900     -8.76030586
  H     14.60791227     11.72715681    -15.12363097
  O     13.29558902     10.38552409    -11.60312460
  H     14.05100844      4.99910180    -14.68459553
  H     14.35740121     12.92610448    -16.06985495
  O     14.29504039     11.97591622    -16.01131641
  H     15.52348258      5.25141340    -15.07639267
  H     13.59548276      7.71854548    -17.10687473
  O     12.91022253      7.89069209    -16.44870126
  H     18.21543643      6.62148503    -14.95964061
  H     12.64425328      7.05191476    -16.04816465
          69
 Energy    -249.48458642987868     
  O     16.40093533      9.28380051    -17.63962934
  H     15.61353558      9.83814233    -17.63845587
  H     17.39334390      6.29147934    -10.67943331
  O     14.56509607      6.53929171    -12.54939972
  H     16.56526314      9.08309637    -16.70439049
  H     19.86387425      9.06937056    -17.61206999
  O     19.43655189     14.36685704    -14.12161209
  H     14.01897269      7.33021494    -12.46126946
  H     21.08179324      8.17435547    -17.95298351
  O     19.49853609      7.95174999    -14.76253057
  H     15.39214379      6.71187759    -12.08383805
  H     16.18180125      7.80494900    -15.05096323
  O     17.97702296     12.44258032    -11.05063417
  H     19.56251198     15.22469259    -14.51674314
  H     17.66581138      8.29377234    -14.89882143
  O     15.47449131     10.18841643    -13.18618600
  H     18.53463106     14.35379510    -13.74759205
  H     13.67023434     11.58159614    -17.34528342
  O     18.63970881     11.92622792    -15.37903501
  H     19.86618695      8.02678574    -15.65179461
  H     14.77364142     11.45314077    -16.27330007
  O     18.25683964      5.75150955    -13.65518295
  H     19.71826439      8.75654307    -14.27343175
  H     17.52023517      8.70903903    -11.40086021
  O     13.01353231      8.93917998    -12.81584607
  H     18.91216289     12.53849294    -11.26343340
  H     16.80173715      9.91359384    -12.04375276
  O     17.03325526      4.87439015    -16.11771464
  H     17.81548178     11.49111700    -11.02670578
  H     13.70213610      7.90125743    -15.61174918
  O     14.93366408      6.51741498    -15.25452671
  H     15.89612318      9.59525413    -13.83106377
  H     13.49355486      9.38867540    -16.02447714
  O     17.19229732      6.86080149    -11.41847336
  H     14.60370903      9.82865127    -12.97873722
  H     21.43315139     13.07703650    -11.85681834
  O     20.27756578      8.20281720    -17.44273894
  H     18.97079648     12.78927220    -15.10525781
  H     20.31536196     13.34842335    -12.88937185
  O     16.75094043      8.58606610    -14.98792962
  H     18.92754669     11.29743376    -14.70252111
  H     18.94260972     10.05507091    -12.68044142
  O     14.23773226     10.95065614    -16.90917040
  H     17.83899902      5.34223195    -14.42089175
  H     20.12842288     11.02745438    -12.92209906
  O     17.59460252      9.65984621    -11.54612717
  H     18.83844531      6.43894197    -14.01169970
  H     16.42497093     13.53512777    -13.69123153
  O     13.12499883      8.66965699    -15.49936933
  H     12.14183048      9.15051610    -12.49433230
  H     17.17092607     13.50189420    -12.32737326
  O     20.64045389     12.70687880    -12.23728130
  H     12.94573524      8.84696154    -13.78458997
  H     17.21617094      7.57382763    -17.96552834
  O     19.63427963     10.29828311    -13.31451886
  H     17.32899245      5.53112548    -16.77364912
  H     18.69181779      7.17481538    -17.79761577
  O     16.97822913     14.05618241    -13.09930320
  H     17.06617658      4.02401850    -16.54756339
  H     15.65837483     11.55273556    -14.30252230
  O     17.80057696      6.81171048    -17.86376940
  H     15.52107405      5.82181185    -15.57131294
  H     16.78731799     12.07756400    -15.23062283
  O     15.84976792     12.18205540    -15.01587530
  H     14.78021342      6.37435086    -14.30625322
  H     18.01975541     10.16094016    -17.88833367
  O     18.91824790     10.50169853    -17.77747726
  H     17.57288350      6.43296474    -12.20663847
  H     18.88320667     11.07932114    -17.00376638
          69
 Energy    -249.48423381756450     
  O     17.86699413     10.25220043    -17.60814751
  H     17.09550404     10.81953280    -17.50586236
  H     17.42356828      5.67703061    -16.68380949
  O     15.06668705      5.99676981    -14.15108686
  H     18.61082039     10.66770786    -17.14204845
  H     17.51911230      5.43388539    -11.79565839
  O     18.00090555     14.06739148    -11.68798903
  H     15.53419408      5.82999945    -14.98345228
  H     18.06517424      6.13364614    -13.05608921
  O     19.82865381      8.89058524    -14.30108247
  H     15.75299257      6.03915981    -13.47610008
  H     17.06339406      7.64908957    -15.79489419
  O     15.51994011      7.12042745    -18.82005130
  H     18.27549925     13.67786224    -12.52998845
  H     17.46163116      9.07872102    -16.27395802
  O     16.18629520     11.21056373    -10.20114978
  H     17.03927098     13.98866665    -11.67599550
  H     15.48210910     11.92970782    -16.06428173
  O     15.36036086      9.54221317    -13.87841245
  H     19.70154390      9.37558353    -13.47434716
  H     15.08936182     12.38034688    -17.48599298
  O     18.42179671     12.41110761    -13.92784826
  H     18.94573529      8.76055936    -14.68118978
  H     16.96768767      7.88235377    -11.77141235
  O     19.38989961      6.15612681    -14.22047516
  H     15.05915961      7.83241375    -18.34074592
  H     16.17668931      9.07173349    -12.35960888
  O     13.32201152      7.93261513    -14.83467737
  H     14.94805000      6.85567075    -19.53516837
  H     13.89982369      8.68395588    -16.50411524
  O     19.23085231      5.75435028    -17.08699203
  H     16.28215277     10.31396270    -10.54613397
  H     14.60652753      9.89352299    -17.17478640
  O     16.51307348      5.93066352    -16.48524821
  H     17.07472447     11.49137792     -9.94725178
  H     19.44324487     12.52171864     -9.24512797
  O     17.34693424      6.15253084    -12.39969269
  H     14.54958187      9.07128831    -14.10411399
  H     18.62991280     12.93632218    -10.49558426
  O     17.29805684      8.53333476    -15.49189949
  H     16.05983485      9.18611722    -14.45081635
  H     18.24179637      9.79588136    -11.89902847
  O     15.43707450     11.64198962    -16.99038566
  H     18.61644408     11.68158995    -13.32155420
  H     19.13055992     10.91514543    -11.30312299
  O     16.73967413      8.80698973    -11.61672479
  H     17.48048782     12.35297562    -14.13674814
  H     15.50332460     12.50629533    -11.17057986
  O     14.26746323      9.00590371    -17.33615277
  H     19.39312933      5.93852925    -15.15899965
  H     14.49758376     13.67641639    -11.26938321
  O     18.87311573     12.18209695     -9.92907003
  H     19.74750086      7.05446197    -14.16948648
  H     15.49029946     11.26376153    -14.09842933
  O     19.00908925     10.35761197    -12.08067967
  H     13.89358652      7.18728821    -14.57085703
  H     15.40546858     12.68190420    -13.48335046
  O     15.23076357     13.26428421    -11.71867953
  H     12.43030658      7.69460108    -14.59717593
  H     19.45381828     11.77328559    -15.36696917
  O     15.62349673     12.20578766    -14.29379852
  H     19.84387597      5.20039474    -17.56310369
  H     20.10618348     10.39448982    -15.51711515
  O     19.86718264     11.18670291    -16.01488419
  H     19.01576549      6.49863050    -17.67762832
  H     18.29808992      8.66627397    -18.46560172
  O     18.31898239      7.73638999    -18.72959437
  H     16.11663418      6.23249148    -17.31328022
  H     17.40004424      7.51345460    -18.92309018
          69
 Energy    -249.48422891995702     
  O     14.37125311      3.82191802    -10.12278549
  H     14.10969020      2.94916675     -9.80176134
  H     16.42175120      9.96928480    -11.31963371
  O     12.28053838      4.63483452    -11.75794984
  H     13.64609853      4.14631727    -10.67664562
  H     14.99796496      7.05837351    -11.98696101
  O     16.35863374      2.84359660    -11.88949503
  H     12.70225791      4.67676617    -12.63131550
  H     15.68794115      7.36322705    -13.33871534
  O     12.51220445      8.55380687    -13.66776400
  H     11.95274660      5.52260104    -11.57613124
  H     14.67324998      7.22777693     -9.83473477
  O     11.96254719      1.82979093    -11.90124497
  H     15.69150312      3.21547139    -11.29767734
  H     13.37288379      7.65595874    -10.61932780
  O     13.59143724      1.17930267     -9.60984489
  H     16.98166642      3.55784306    -12.08045526
  H     12.87989222      1.05221695    -13.19141290
  O     17.99803579      9.08179258    -11.96004781
  H     12.73963917      8.04450877    -14.45924276
  H     12.95353933     -0.02352604    -14.29935724
  O     13.69585166      4.86990071    -14.06280521
  H     13.10527280      9.31265545    -13.66624012
  H     10.86823638      7.76199855    -11.13639471
  O     16.50101130      8.72391308    -14.27637210
  H     11.89811204      2.79313428    -11.86821366
  H     11.95663681      7.78652190    -12.23627792
  O     16.22406843      7.04434068    -16.47372685
  H     12.35418831      1.56484807    -11.06031430
  H     16.85180553      5.61986581    -12.67324934
  O     17.06767957      4.73830410    -15.31244130
  H     13.47295929      0.55947185     -8.89580063
  H     18.11719056      5.56664471    -11.82228670
  O     15.50461744     10.24916202    -11.21045741
  H     14.20740880      0.76740721    -10.24309131
  H     14.69658644      1.90238881    -14.43115435
  O     15.37003303      6.64596517    -12.77566063
  H     18.84739687      9.47600787    -12.14677969
  H     15.71511285      2.68985596    -13.58566878
  O     14.30630030      7.85471262    -10.47122314
  H     17.57450830      8.92130745    -12.81920607
  H     14.72977146      0.22835406    -12.36809962
  O     13.48136314      0.60312712    -13.81173202
  H     14.20991594      4.08527569    -14.28994347
  H     15.82802161      1.05408436    -11.67135770
  O     11.69924540      7.37056286    -11.39140814
  H     14.30461505      5.50204925    -13.64809227
  H     14.29038065      7.07874201    -16.14302236
  O     17.69459051      5.14802527    -12.58340981
  H     15.80307383      9.39297402    -14.25692718
  H     13.35426776      6.17404387    -15.33594795
  O     15.31107137      2.64558169    -14.46557945
  H     16.45152511      8.24775507    -15.11595690
  H     15.80125937      5.77989835     -8.04433901
  O     15.25131986      0.28529857    -11.55788073
  H     16.53090993      7.05925232    -17.37649217
  H     15.25356245      5.14703282     -9.34343134
  O     13.38891605      7.01756927    -15.80932844
  H     16.52631190      6.20041373    -16.09225890
  H     18.07578119      7.53148479    -10.79867546
  O     15.67523537      5.94213935     -8.97637463
  H     17.49621794      4.85549668    -14.45431676
  H     17.36845763      6.50617884     -9.87929163
  O     18.19168865      6.68541067    -10.34746414
  H     16.50987384      3.95604582    -15.22124765
  H     14.82175981     10.57858273    -12.77527060
  O     14.50424970     10.61172792    -13.69625458
  H     15.03924286      9.47940205    -10.85215720
  H     14.34255950     11.52821867    -13.90258211
          69
 Energy    -249.48393810933186     
  O     12.48396751     12.83544997    -13.21209289
  H     11.76211975     13.37519684    -12.90020850
  H     18.44999865     12.83262668    -13.68054835
  O     17.84481348      5.94443427    -11.77158271
  H     12.89699042     12.43581729    -12.42632196
  H     13.15022231     10.19247835    -17.88790247
  O     17.16490217      9.90021032    -11.52940321
  H     17.42939866      5.46766381    -12.50047415
  H     13.13124648     10.43336900    -16.35740261
  O     12.24208555     10.49625858    -14.87617863
  H     17.14081194      6.47117079    -11.37070829
  H     15.36786708     10.11661918    -14.20900127
  O     14.70839895      6.91444980    -13.77516059
  H     16.73576627      9.07544922    -11.26789596
  H     15.41741461     11.63377039    -13.84495331
  O     16.65978165      4.95306195    -14.20606952
  H     16.60692365     10.26145742    -12.23687532
  H     16.37641862     12.28490780    -16.87372829
  O     15.08153651     13.45175271    -14.22548095
  H     12.26203136     11.28370174    -14.32022422
  H     14.89285838     11.83425299    -16.98720669
  O     18.12507918      9.18766993    -15.86044845
  H     12.23619173      9.73303373    -14.28525198
  H     13.41160054      9.82751450    -10.65229577
  O     15.64465743      7.58804727    -11.17942257
  H     14.96833742      7.57588087    -14.43574457
  H     12.81558915      8.64292162    -11.42216995
  O     18.20735160     11.81547625    -16.86239682
  H     15.26448159      6.14136296    -13.93018059
  H     20.85699305      6.64198641    -12.48621408
  O     18.64095345      6.46024074    -15.29260035
  H     16.69282383      4.06856479    -14.56019560
  H     19.31232766      6.65683930    -12.40168851
  O     18.94513772     12.30278538    -14.31573640
  H     17.34394995      5.46778409    -14.67146491
  H     17.45790552     14.86668405    -12.59100879
  O     13.71283098     10.36058786    -17.13708040
  H     14.15199670     13.38409391    -13.97942450
  H     16.47480882     13.84865668    -13.21225798
  O     15.43854105     10.74164433    -13.47905989
  H     15.16800802     13.25795639    -15.17290704
  H     16.77776601     11.51930629    -10.56810471
  O     15.46375717     12.57464214    -16.74958869
  H     18.20238986     10.01505492    -16.35047783
  H     16.73590393     12.96865139    -11.07012365
  O     13.26323953      8.87446196    -10.59963056
  H     18.47977268      9.35922576    -14.97477456
  H     14.34464522     11.10390263    -12.06295163
  O     20.07746209      7.02122753    -12.88281672
  H     14.85923077      7.98097971    -10.77333188
  H     14.65318774     11.93399387    -10.81188029
  O     17.26960063     13.93323783    -12.65797257
  H     15.37622793      7.36597959    -12.08149684
  H     19.66195945      8.82527355    -13.16600728
  O     16.37921120     12.38248229    -10.39163510
  H     18.48488971     12.06238403    -15.96016119
  H     18.54754741      9.74789171    -12.62568755
  O     13.92117701     11.53514114    -11.30410533
  H     18.83278264     12.21561662    -17.46094607
  H     11.57331794      7.51678267    -13.27431980
  O     19.21356361      9.66423788    -13.32520898
  H     18.48015393      7.33374102    -15.67060459
  H     13.10412483      7.63471742    -13.42487217
  O     12.29609567      8.13981344    -13.23461794
  H     19.25364104      6.60253873    -14.55939347
  H     14.90179802      9.29100327    -16.22214895
  O     15.42260979      8.85241681    -15.53874382
  H     19.16593801     11.46780062    -13.88258186
  H     16.36378844      8.94982816    -15.74194298
          69
 Energy    -249.48349473771358     
  O      0.64641269     -0.75445410      5.70950870
  H      0.42970533      0.14339953      5.42155056
  H     -5.04659678     -1.33695605      2.58703638
  O      0.85110700     -0.86110072     -2.02855908
  H     -0.19688227     -1.15705772      5.94578161
  H      0.00081091      3.46999203      1.68563479
  O     -2.01649904     -1.82601547      6.29493069
  H      0.68657612     -0.68942648     -2.95186094
  H     -0.59538910      2.77566362      0.45909365
  O     -0.11229341      1.04332158     -0.33881621
  H      0.48677914     -0.10797545     -1.53148505
  H     -3.09562423     -0.48446789      5.58781078
  O      0.09613288     -2.90356300     -0.20678637
  H     -2.24525263     -2.45497298      5.58641083
  H     -3.33460990      1.01518234      5.20291777
  O      2.63761782     -3.14276867      1.18300744
  H     -2.13734750     -2.28973587      7.11976020
  H      1.73413116      2.15360346      2.35442486
  O     -3.15641883      3.24004774      2.56579415
  H      0.44967230      0.84173981      0.42249285
  H      2.36039039      3.48682040      2.82884729
  O     -4.47975249     -3.05818286      2.05509362
  H     -1.01425086      0.75243485     -0.13204878
  H     -2.44362824     -0.11007930      3.57270462
  O     -0.15633437      1.66953853      4.54801172
  H      0.30129171     -2.24609104     -0.88439939
  H     -1.05233108      0.52119952      3.38879410
  O      3.16948177     -0.77964727     -0.33766236
  H      0.94449329     -3.13461556      0.19233488
  H      0.92190019     -2.10114781      3.08621465
  O     -4.95064137      1.57330348      1.06860443
  H      3.15907699     -3.90933235      1.40896520
  H      1.57568195     -1.40518496      4.28389923
  O     -5.26837955     -0.43378874      2.84432331
  H      2.45919294     -2.67598384      2.01652456
  H     -2.95434021      3.51730461      5.66734483
  O     -0.78582608      3.44288305      1.12802984
  H     -3.79484477      2.75089292      2.03607944
  H     -2.88026239      2.97745459      4.21571393
  O     -3.60597727      0.10651426      5.01825291
  H     -2.36344447      3.35483967      2.02160880
  H      1.77785703     -0.17615353      2.33446719
  O      1.53408867      3.01599555      2.75948962
  H     -5.11877457     -3.70891412      1.77427715
  H      2.40199038      0.19874361      0.96643953
  O     -1.68862295     -0.07280174      2.97169724
  H     -3.87134450     -2.93132848      1.30667031
  H     -3.36339496     -3.36429389      3.59114875
  O      1.75994063     -1.71250017      3.38564321
  H      0.40781925      2.25901619      4.03331204
  H     -1.83809475     -3.31697486      3.63124732
  O     -2.66805656      2.77232244      5.14689040
  H     -0.94184352      2.16029125      4.82287560
  H     -0.54202112     -2.67843220      1.52818288
  O      1.82787981      0.52689062      1.67444615
  H      3.13771209     -1.64244597      0.09601269
  H     -1.04238222     -1.69253711      2.62949813
  O     -2.61602183     -3.43121979      4.19633721
  H      2.52121516     -0.82266338     -1.05161358
  H     -2.75552825     -1.57849760     -0.00760374
  O     -0.64162587     -2.56357387      2.48047326
  H     -5.78545445      1.82532265      0.68438901
  H     -1.90039928     -2.83799625     -0.24851612
  O     -2.79538025     -2.54514388     -0.04903532
  H     -5.13643802      0.86271940      1.71019067
  H     -2.29828132      0.14483959      1.32478428
  O     -2.60629264      0.21347976      0.40684278
  H     -4.83156201     -0.27133290      3.69136602
  H     -3.42788981      0.71748130      0.44052189
          69
 Energy    -249.48348342885384     
  O     10.76993952      8.30042964    -14.47513375
  H     11.34783794      8.10309108    -15.22606891
  H     16.38368735      6.06202997    -15.57430568
  O     16.29736653      6.27636722    -13.74160194
  H     10.94084127      9.22055887    -14.24527201
  H     18.79430608      8.11713286    -13.07998964
  O     15.85576634     10.16760991    -11.62177186
  H     16.81132239      6.85753952    -13.16652902
  H     19.58241481      7.26205224    -14.08396010
  O     16.01872223     10.64733012    -14.36399599
  H     15.70841990      5.78449511    -13.15325172
  H     14.46205082     11.35169394    -15.17964095
  O     13.52385046      5.09603591    -16.58944520
  H     14.91622787      9.93255730    -11.67065560
  H     13.67912578     10.90356150    -16.42544616
  O     14.65192924      7.31954663     -8.85469782
  H     16.06428653     10.52466632    -12.49482160
  H     13.88368742      8.10429392    -15.05985220
  O     14.65827486      5.17709228    -11.79183983
  H     15.52291973      9.81597346    -14.43820862
  H     15.08264181      7.55333789    -14.22232572
  O     13.26482629      9.41380966    -12.18508125
  H     16.84085896     10.52132207    -14.85180772
  H     10.73340497      6.96647194    -13.37911785
  O     16.43443071      8.68694982    -17.43381788
  H     13.31449863      4.91573140    -15.65493454
  H      9.86997331      5.88327368    -12.69036251
  O     16.68652372      5.95033509     -9.93506304
  H     13.23361930      4.33546270    -17.08585512
  H     13.53167851      4.66710107    -13.24938472
  O     18.37864755      9.95335688    -15.73560915
  H     14.86803117      8.26007352     -8.77998870
  H     12.12522460      5.16220205    -13.62393519
  O     16.21815549      6.08478414    -16.52664827
  H     13.87011131      7.24562749     -9.41553712
  H     16.96185537      8.67303340    -11.67862861
  O     19.31692715      8.16032525    -13.89584249
  H     13.99103254      5.81385176    -11.49469512
  H     17.32096373      7.26684968    -11.10483938
  O     13.59742562     11.40825831    -15.60736857
  H     15.37419775      5.23132184    -11.14769070
  H     15.72190967     10.17061157     -9.79384627
  O     14.49618264      8.30941436    -14.34375279
  H     12.62797166     10.03036035    -12.56361338
  H     15.46033229     10.82645909     -8.43014571
  O     10.76722466      6.18907323    -12.79239630
  H     13.66644469      8.95547031    -12.94268784
  H     14.90725822      9.37260904    -17.75323175
  O     12.90143237      4.71040433    -13.97824472
  H     16.40361527      7.75607304    -17.16564430
  H     13.96199085      9.99617563    -18.80884913
  O     17.52621744      7.89880344    -11.80574044
  H     17.14219104      9.09833570    -16.92769623
  H     11.96823237      6.68556218    -11.43138280
  O     15.48788805      9.98162553     -8.87247318
  H     17.16630671      5.46116614     -9.27256035
  H     12.88956396      7.91084686    -11.29390188
  O     14.00595699      9.71698613    -17.89863801
  H     15.97750723      6.43376300     -9.47027389
  H     12.28220948     11.15598133    -14.48426750
  O     12.72522841      7.02468563    -10.93821133
  H     18.74416002      9.31615285    -15.09883049
  H     11.06397042     11.75970663    -13.74923335
  O     11.59369246     10.97046420    -13.82057275
  H     19.10889297     10.48911870    -16.03499215
  H     13.07821100      8.37087389    -17.05035508
  O     12.68439166      7.75956833    -16.41422946
  H     15.35061893      5.67968556    -16.64226305
  H     12.95383336      6.85812705    -16.63323577
          69
 Energy    -249.48317726152652     
  O     11.07525397      9.41440241    -14.85821661
  H     10.92749090      8.46230948    -14.92226160
  H     14.78447785      7.38559057     -9.16171762
  O     15.82786144     10.25312096    -10.99728494
  H     10.91241605      9.64760407    -13.93565215
  H     13.00189609      3.27350608    -13.11071684
  O     15.32798375      5.31312992    -13.49572082
  H     15.45125594      9.49147637    -10.52404129
  H     12.91478272      4.13961103    -11.82864698
  O     14.88762184      2.86835608    -10.03076291
  H     16.41263255     10.69236552    -10.38459808
  H     13.71037692      8.21124321    -13.74824854
  O     16.79338937      8.66373488    -13.21472315
  H     15.87106117      5.65867167    -12.77531806
  H     14.14977213      6.72556092    -13.46603721
  O     13.45712812     11.14380937    -12.27709507
  H     14.74497650      4.64049801    -13.11612477
  H     11.84176038     10.56485245    -12.05618738
  O     11.84353948      3.11478552    -14.47862042
  H     14.50573320      2.95122876    -10.91529819
  H     10.35633754     10.80560845    -11.70112964
  O     12.77898230      4.13435270     -8.55868287
  H     14.18592168      3.14423827     -9.42832316
  H     16.72632321      8.93340665    -16.37872149
  O     13.79466499      9.83866763    -14.67527065
  H     16.49259209      9.34069666    -12.59726780
  H     16.34126787      8.60263555    -14.91977922
  O     16.99806733      4.46800374     -9.47789907
  H     16.92539429      7.87748225    -12.67069662
  H     15.29083976      6.84389912    -16.17751014
  O     14.95249463      5.96784238     -8.10695946
  H     13.64037402     10.81322710    -13.16968443
  H     15.19541437      5.59980219    -15.28303226
  O     14.70468104      8.01530546     -9.89352077
  H     14.25314265     10.95712551    -11.76720430
  H     15.92678846      7.02147448    -10.90659499
  O     13.51201134      3.58888023    -12.35085501
  H     12.07757843      3.64956732    -15.24751691
  H     16.88506063      5.81925589    -10.75106151
  O     13.44342863      7.37241581    -13.35193707
  H     11.08377193      3.54940021    -14.07299774
  H     12.38743870      4.72730597    -17.54545966
  O     10.96405514     10.14089220    -12.01421767
  H     12.12865120      3.80446281     -7.94342186
  H     13.37250869      5.30348876    -16.50230660
  O     16.02186001      8.58165100    -15.84038479
  H     12.29009469      4.45478825     -9.33443974
  H     12.65132748      7.61958998    -11.84785494
  O     14.94003104      5.94671776    -16.15061381
  H     14.42630429      9.50115440    -15.31909033
  H     11.62260965      8.57351127    -11.21063865
  O     16.60944865      6.51165133    -11.36474290
  H     12.88595488      9.71816303    -14.99064970
  H     11.97601211      6.85042695    -14.24291615
  O     12.47205836      4.95100726    -16.62265241
  H     16.29813295      3.83115468     -9.71063688
  H     11.52982461      6.07162473    -15.50099372
  O     12.15859798      7.79327401    -11.02731139
  H     17.73628337      3.95954682     -9.15379214
  H      8.96630601      4.83661520    -13.23338111
  O     11.19523806      6.58090047    -14.75101494
  H     15.71182988      5.46690147     -8.42991389
  H     10.28680045      5.50496273    -13.68301795
  O      9.91146728      4.81691100    -13.10611500
  H     14.19626843      5.37108429     -8.16722819
  H     10.92882364      4.93917679    -11.53669426
  O     11.60148828      5.10004022    -10.86317655
  H     13.78862489      7.98658358    -10.19823246
  H     11.74687683      6.05746470    -10.83754337
          69
 Energy    -249.48291863870554     
  O     17.82994826      8.96949322    -11.15637077
  H     17.10605858      9.30808009    -11.70599884
  H     13.89715301      7.94477869    -16.84860402
  O     11.88484307     10.99083262    -13.26086465
  H     18.02487481      9.66197983    -10.51017209
  H     14.51110290     11.95498839     -6.56054349
  O     11.99942197      8.20824760    -13.89905617
  H     12.50464735     11.14650359    -13.99735428
  H     14.58503671     10.63168442     -7.35696848
  O     16.22563839      7.02921176    -10.04812997
  H     11.15172025     11.58713370    -13.38689168
  H     12.95203782     10.79293760    -11.77132827
  O     18.25085703     11.20573069     -9.56318244
  H     12.57255062      8.24001907    -14.67463037
  H     13.52367310      9.75024124    -10.74440496
  O     19.69679636     12.36751599    -11.68694267
  H     11.85046050      9.12560277    -13.64102965
  H     17.93096428     10.43482162     -7.91116858
  O     15.65161140     12.16857041     -9.92511377
  H     16.36740344      7.05318871     -9.09387712
  H     16.69526674     10.61993097     -7.02416626
  O     12.55825649      6.30463947    -12.07077855
  H     16.86893929      7.64321858    -10.43258832
  H     16.99482134     11.24320105    -14.94898506
  O     17.96768526      9.55012653    -15.37969874
  H     18.84550125     11.67189199    -10.16265086
  H     16.60955699     12.37008860    -13.91321744
  O     15.37817521      5.88568930    -12.54188069
  H     17.36051005     11.55812002     -9.71506901
  H     16.95902315      8.39783202     -7.21980464
  O     16.01550193      7.78758272    -14.41375604
  H     20.53994401     12.80138402    -11.78283781
  H     16.89207122      7.00109023     -6.55952514
  O     13.88811930      8.42893557    -16.02691623
  H     19.72904628     11.56080849    -12.23207554
  H     14.96989220     10.09381981    -12.16893327
  O     14.99639375     11.50824726     -7.24907410
  H     14.93559878     11.69352446    -10.37018456
  H     15.89867121     10.60821296    -13.30498485
  O     13.64001411     10.63922893    -11.11145657
  H     15.43951742     12.10996772     -8.98425438
  H     19.10912032      9.50199957    -12.41776706
  O     17.47630940     10.06519267     -7.14219455
  H     12.31979835      6.96616727    -12.74477906
  H     19.14204094      9.87522447    -13.90907784
  O     16.28218199     11.81207290    -14.63763091
  H     11.85853173      5.65731014    -12.05939147
  H     14.54373368      7.73418596    -10.13738942
  O     16.54264014      7.51902284     -7.27971371
  H     18.31111105      9.29321226    -16.23251430
  H     13.14805645      7.44197706    -10.72998482
  O     15.73647097      9.86696212    -12.70823792
  H     17.36409488      8.84256871    -15.10141895
  H     17.94879757     12.96103253    -12.11655926
  O     19.58785031     10.03309366    -13.06963351
  H     14.42113112      5.92077532    -12.42273350
  H     16.51641248     12.93651617    -11.53968343
  O     13.62920314      8.05333789    -10.15996596
  H     15.75209224      6.11456941    -11.68128338
  H     13.73764258     10.31112151    -15.67515509
  O     17.02088442     13.09846646    -12.34519308
  H     15.84557157      8.52137661    -13.80024385
  H     14.53683363     11.52562490    -15.14920357
  O     13.64076863     11.19476585    -15.30020153
  H     15.89035364      6.98851484    -13.88261921
  H     14.82741295      8.39174540     -7.33394511
  O     14.07330983      8.96111552     -7.53225967
  H     14.66045068      8.13417525    -15.51611023
  H     13.73764212      8.65199379     -8.38335987
          69
 Energy    -249.48263746803673     
  O     13.24846941      9.97113307     -9.89445454
  H     13.50600953      9.05247848     -9.68784165
  H     16.83250723     10.39570282    -15.51782383
  O     15.25169475      5.20394793    -12.35148474
  H     12.60938248     10.23554338     -9.23905151
  H     14.88157684      8.55916974    -12.51239362
  O     15.74664279     12.13523375    -12.80615039
  H     15.10957366      5.18846067    -13.30682884
  H     15.56812819      7.20566782    -12.19760479
  O     18.03270427     11.17734951    -14.28806854
  H     16.18674808      5.05032530    -12.16650346
  H     14.94086038      7.21440193     -9.47416596
  O     11.31693791      7.67651915    -15.88563993
  H     16.54917985     11.95758537    -13.31009339
  H     13.54458135      6.69845887     -9.91971059
  O     16.72844550      6.92887348     -9.61277668
  H     15.01857512     11.91558352    -13.40001850
  H     18.58387431      4.50385175    -11.42209067
  O     12.29232869      6.82318040    -13.38928823
  H     18.17616346     10.52028048    -13.58564489
  H     18.33359816      5.73710473    -12.32060657
  O     13.89119370     10.97806953    -14.63529204
  H     18.87060378     11.60752811    -14.43862476
  H     12.59118161      4.45132805    -10.72857741
  O     14.12025063      9.04127531    -17.74903889
  H     11.88051109      7.16294464    -16.47686002
  H     13.74575803      5.17484420    -11.46253869
  O     16.49562882      7.30185720    -15.05862641
  H     11.49643472      7.34622090    -14.99529103
  H     17.29810434      8.91428417    -12.37186582
  O     14.27286665      5.61646242    -14.99259600
  H     17.22214413      6.35387406    -10.20647285
  H     18.34674879      9.42840263    -11.37655588
  O     16.13157377      9.88847745    -15.94457377
  H     17.19822876      7.77220089     -9.58832813
  H     18.18949794      6.89225778    -14.26570880
  O     15.72405417      8.08935454    -12.54734455
  H     12.28352934      6.27871096    -12.59437518
  H     18.84061633      7.70833977    -13.13823993
  O     13.99600330      7.42752634     -9.48172130
  H     12.56968320      7.70935870    -13.10859206
  H     18.38126431      9.90862022     -8.80079280
  O     17.94243692      5.17926486    -11.62571250
  H     14.65711274     10.59169420    -15.08428372
  H     17.19048275     10.10381786     -9.77101172
  O     12.87146724      5.30353803    -11.05253466
  H     13.14344249     10.87342378    -15.23690633
  H     13.27966992      6.05110786    -18.37869341
  O     18.19731681      9.27664834    -12.31741771
  H     13.36401058      9.55525573    -17.43962126
  H     13.69392076      7.34460303    -17.64011444
  O     18.85539876      6.84176070    -13.56722927
  H     14.88743696      9.39382256    -17.28052307
  H     15.82424456     11.48899399    -11.10849788
  O     17.95869459      9.53555130     -9.56889595
  H     16.26133517      7.64720850    -14.18181265
  H     14.95761483     10.75003206    -10.06154087
  O     13.35570668      6.44017838    -17.51157447
  H     15.80415960      6.65610304    -15.24569991
  H     11.60020412      9.37269346    -16.21011650
  O     15.85340115     11.05490983    -10.24370996
  H     13.98135205      5.73370460    -15.90592888
  H     11.10247449     10.70606010    -16.81718305
  O     11.87214719     10.27527417    -16.45551250
  H     13.59555744      6.04558981    -14.44828863
  H     13.14094954      9.65822305    -11.70553438
  O     13.21780521      9.26838048    -12.58541314
  H     16.30284024      8.95862593    -15.73288010
  H     13.39574156      9.95995879    -13.23725816
          69
 Energy    -249.48212185868545     
  O     16.77458325     10.08870162    -11.94304631
  H     16.99642139     10.95999560    -11.58863361
  H     13.06573949     10.32145512    -10.41764714
  O     14.34600845      6.62986918     -7.45170578
  H     16.43763249      9.58082898    -11.18644726
  H     18.14747216      5.37010527    -13.68093505
  O     17.30514873     12.31036234    -10.42333204
  H     14.62499740      6.23350010     -8.29008195
  H     17.80442184      4.96071315    -12.23798342
  O     12.02516728      8.10108706     -8.43247278
  H     13.54086483      7.11566450     -7.66208367
  H     14.76737060      6.02520763    -10.87884121
  O     14.76754155      8.92756499    -13.41899388
  H     16.56751816     12.34514410     -9.80270842
  H     16.19145445      5.89710111    -10.25984985
  O     18.82749632      8.26567483    -12.11329092
  H     18.07299715     12.05000388     -9.89858482
  H     19.58259771      7.11183652    -14.99817486
  O     20.08898843      8.85640572     -9.77678299
  H     11.19043560      7.96975048     -7.98978464
  H     18.87775832      7.46446000    -13.66839741
  O     17.96586098      6.00286820    -10.65233591
  H     11.90572871      7.79481345     -9.34992996
  H     16.47754388     11.28427938     -7.40554219
  O     11.80240217      7.53862013    -11.07507526
  H     15.48686346      9.39947737    -12.97456430
  H     17.02777487      9.91801960     -6.92739592
  O     15.14879348     12.15992682     -8.46938189
  H     15.16146483      8.45280649    -14.16563718
  H     15.69576270      6.41058974    -15.07779718
  O     12.59524872     10.05814431    -12.20247529
  H     19.39879772      8.49062726    -11.36350954
  H     16.97816608      7.25642310    -15.07322738
  O     13.36018926     10.31495165     -9.49677990
  H     18.14278973      8.94763732    -12.15382729
  H     15.44851343      7.82396768     -9.93958846
  O     17.67428891      4.70758712    -13.16036973
  H     19.80929841      8.19373589     -9.13439824
  H     14.84490916      9.25005877     -9.71802586
  O     15.25604798      6.01906058    -10.04477127
  H     19.87057085      9.71673449     -9.39613924
  H     18.64020910     11.17265988     -7.98923947
  O     18.78505480      6.96267307    -14.49714891
  H     18.20575819      6.78443726    -11.17034453
  H     19.97188995     11.92840272     -8.20546625
  O     17.23980991     10.85827844     -6.99389539
  H     18.36393563      6.12673998     -9.78230760
  H     14.26252689      7.24890732    -12.75143692
  O     16.02646543      7.30441451    -15.22837105
  H     12.42933616      6.96707263    -11.53811135
  H     14.26839076      5.73508818    -13.09007351
  O     15.66530736      8.76371487     -9.86555983
  H     11.87923739      8.39564824    -11.51152426
  H     19.33144914      6.32902758     -7.37715883
  O     19.34554171     11.35175240     -8.63602747
  H     14.47463944     11.55188376     -8.81160835
  H     18.15286016      7.25213441     -7.76092326
  O     13.94880774      6.38462428    -12.45123583
  H     14.68216301     12.92874125     -8.14881588
  H     16.45561620      8.48977040     -8.25333172
  O     18.94320974      6.80489712     -8.10703085
  H     13.34588766      9.68743645    -12.69812048
  H     15.88355429      7.59166398     -7.15613241
  O     16.65340221      8.13692140     -7.37216420
  H     12.14183894     10.64901746    -12.79845983
  H     15.03630600      3.87294753    -14.71935649
  O     15.21096401      4.70246588    -14.28393252
  H     12.84722174      9.64161889     -9.02873837
  H     16.08313717      4.61974663    -13.85709473
          69
 Energy    -249.48202715028026     
  O     15.28782048     12.52542102    -12.42337021
  H     14.75090551     13.13981743    -12.91628175
  H     14.49295900      8.86688465     -7.48810683
  O     18.38762330      7.08894972     -3.93107073
  H     15.86716582     13.05810666    -11.84906943
  H     18.60425244     11.51849985    -12.06232343
  O     16.63715420     13.10912592     -8.08666748
  H     17.43766786      7.03984672     -4.14140106
  H     19.72522690     11.25869541    -11.00622431
  O     15.71285449      7.16487773     -4.43211606
  H     18.64881092      6.22160701     -3.63423214
  H     20.15618009     10.02957344     -7.06587514
  O     13.45294852      9.89858067     -8.68061927
  H     16.83705804     12.26413106     -8.52009443
  H     19.97926376     11.52150157     -7.41628955
  O     18.96814904     13.01201472     -6.67724883
  H     15.75250509     12.99849155     -7.71199440
  H     16.84947951     13.79378225     -9.86191867
  O     20.79149171      9.92262423    -10.26451666
  H     15.42033799      7.48223117     -5.29658748
  H     17.84132780     13.32835869    -10.95034172
  O     17.59448675      8.43495160     -8.07890194
  H     15.36093291      7.78947554     -3.78572264
  H     18.13111949      8.68232075     -2.84934073
  O     15.30686951     10.64184409     -5.09594083
  H     12.53565730      9.72330379     -8.87854870
  H     18.00388995     10.19051240     -3.14428614
  O     14.90931384     10.15940079    -10.99779428
  H     13.91178559      9.96869794     -9.53362256
  H     16.50065158      7.61446813    -12.84497075
  O     14.21236305     12.25884957     -7.10879128
  H     18.13648687     13.13840151     -7.16517718
  H     17.38389804      8.23948679    -11.74113300
  O     15.11832082      8.48290793     -6.86241775
  H     19.36283047     13.87506333     -6.57959307
  H     16.36330807     10.57704316     -9.94001502
  O     18.98984030     11.84053975    -11.23239187
  H     20.68721674     10.19875344     -9.33559575
  H     17.82313362     11.10184483    -10.04095982
  O     20.40565561     10.70766331     -7.70737860
  H     21.72362952      9.77865755    -10.40431621
  H     18.34895116     11.88648469     -5.31771221
  O     17.03176981     13.83898359    -10.80913260
  H     18.19637648      8.53900850     -7.33006434
  H     17.06533555     11.08616745     -4.93434740
  O     17.80099874      9.51294357     -2.48462931
  H     17.50895370      9.30555096     -8.49979696
  H     19.07801770      8.21080757     -5.24936578
  O     16.63322553      8.41107906    -12.33809343
  H     15.09453813     10.29150448     -4.22212207
  H     18.80045545      9.71277885     -5.47892823
  O     17.15215690     10.78082882     -9.42257844
  H     15.27305436      9.89263490     -5.70881179
  H     19.44768219      8.58174770    -10.57807697
  O     18.01534342     11.17027919     -4.76521331
  H     14.93054112     10.97624999    -11.51623544
  H     18.33490201      7.94438935     -9.72713927
  O     19.21439689      8.93138336     -5.87598555
  H     15.40653873      9.48762323    -11.48485883
  H     14.65524953      9.41117769     -1.78230683
  O     18.68662671      7.99113438    -10.62676499
  H     13.87489108     11.55269863     -7.67087886
  H     16.04801067      9.40282816     -2.45896414
  O     15.09187034      9.31200254     -2.62348391
  H     14.51418915     11.81742512     -6.30212642
  H     16.73131141     11.48990414    -13.22909429
  O     17.50988577     10.93627692    -13.36674346
  H     15.96143195      8.37725453     -7.32785778
  H     17.23845238     10.03705576    -13.14365461
          69
 Energy    -249.48199424134862     
  O     13.11688974     12.75562760    -14.85649468
  H     13.86760253     13.27933458    -15.15776344
  H     18.69600578     11.42190882    -14.74987212
  O     17.91116680      6.91550258    -13.51875503
  H     13.05560316     12.03164361    -15.49274032
  H     16.96788865      8.87273461    -19.57163165
  O     18.74028360     11.43399301    -11.03001621
  H     17.95866079      7.22922253    -14.42925477
  H     15.81062755      8.73658523    -18.55293367
  O     16.98809210     14.04006295    -13.66942746
  H     17.13559823      6.34390190    -13.46229099
  H     15.84924093     11.30392464    -12.83924032
  O     15.44356534      5.46132640    -13.31904360
  H     19.00950392     11.87940522    -11.84055232
  H     16.68029076      9.98135595    -12.74006802
  O     15.41755187      9.15838331    -10.18845638
  H     18.58423167     10.50739762    -11.26789678
  H     14.47579510     10.90852033    -16.80678110
  O     14.19365059      6.86395751    -11.32359904
  H     16.48795958     14.05170401    -14.49378840
  H     13.65554263     10.06429207    -15.80215089
  O     12.57350203     12.31445924    -12.23629740
  H     16.38328862     13.71442424    -12.98876717
  H     16.98208472      8.81209023    -11.12520738
  O     14.23292159      8.20082939    -18.03887645
  H     15.36093697      4.53174363    -13.12154945
  H     17.86012537      8.18093200    -12.27631546
  O     17.63402394      8.22038085    -16.10111546
  H     14.98018664      5.93814451    -12.60935328
  H     12.79724077     10.44007822    -11.82732330
  O     15.15385587      6.94496499    -15.68014280
  H     14.63840115      9.36412859    -10.72698097
  H     13.33609848      9.32073838    -12.72406892
  O     18.06319880     10.83564690    -15.17835410
  H     15.72904516      9.99589903     -9.82566286
  H     15.63070276     12.48121361    -10.96327631
  O     16.70788692      9.09398394    -18.68158867
  H     13.50377277      7.50199663    -11.53750913
  H     14.35116373     12.65999828    -11.85134538
  O     16.12698279     10.51809223    -13.32550904
  H     14.76662812      7.35524360    -10.72197448
  H     18.53539706     13.26215277    -13.58507595
  O     13.58308873     10.59343596    -16.61271222
  H     11.79807641     12.81458700    -11.99556199
  H     20.08127530     13.34542335    -13.61096553
  O     17.74166596      8.95430567    -11.70636794
  H     12.71693510     12.46512804    -13.18877773
  H     16.71712000     12.08315482     -8.66288476
  O     13.10294148      9.52659623    -11.80535466
  H     13.80025374      8.98382600    -17.67450358
  H     17.36064053     11.67334275    -10.01038354
  O     15.31276448     12.74524737    -11.83643089
  H     14.40410940      7.61703148    -17.28709085
  H     16.42526682     10.78241538    -17.84230326
  O     19.35354910     12.73382512    -13.53694638
  H     17.90459361      9.07323465    -15.73281088
  H     16.94306836     11.31603533    -16.49758338
  O     16.51643323     11.72775295     -9.52437622
  H     17.45631499      8.39672661    -17.03319700
  H     15.39680417     14.57689850    -16.74197981
  O     16.27351013     11.46878694    -17.18167521
  H     16.03019016      7.34361292    -15.78581870
  H     15.75597365     13.08857569    -16.55487767
  O     15.46901319     13.88801171    -16.08482219
  H     15.21007760      6.31614850    -14.94974674
  H     14.36809411      8.29901923    -14.76584153
  O     14.03988704      9.10402760    -14.34613948
  H     17.33308429     10.74464562    -14.54396527
  H     14.80984556      9.59625103    -14.01798302
          69
 Energy    -249.48130345772029     
  O     13.15091702      8.34785897    -16.41517920
  H     12.33593401      8.17509224    -15.90859793
  H     11.37620238      3.06922819    -10.75567124
  O     11.14776016      9.04002232    -10.65562832
  H     12.89242596      8.43791944    -17.32822190
  H     11.71751116      6.34214893     -9.61143969
  O     15.45289067      6.49416975    -10.31840940
  H     11.78926575      9.23960726     -9.96314152
  H     10.70236622      5.27503988    -10.07552664
  O     14.90675519      2.43478008    -10.08541290
  H     10.87283374      8.12839027    -10.50283183
  H     16.93716153      5.45971017    -13.04729626
  O     13.06628089      9.41961843     -8.56513951
  H     15.66287152      5.71014386    -10.84499111
  H     16.47388205      6.30486398    -14.24718733
  O     13.63369889     10.48625937    -14.53059249
  H     16.25890237      7.00883207    -10.19403271
  H     14.44450959      8.66729331    -12.45743492
  O     11.16805877     10.24538864    -13.09952065
  H     15.26369394      1.69162158     -9.60669564
  H     14.56913342      7.34015189    -11.67015762
  O     15.82510948      4.30799459    -11.95112661
  H     14.34742645      2.92932089     -9.45955573
  H     11.14954405      7.27574905    -14.17358857
  O     12.62554093      2.48357665    -11.84744607
  H     12.92014447     10.03435923     -7.85088941
  H     10.92547009      8.78792595    -14.28539824
  O     15.45503968     10.24242616    -12.54130308
  H     13.90380342      9.67805754     -8.98930454
  H     17.78702312      8.44874358    -11.06822564
  O     13.16903127      3.79039841     -8.49573892
  H     12.79870389     10.46221939    -14.04389027
  H     18.49334165      8.20156597     -9.71566610
  O     10.78714387      3.40236613    -10.05552270
  H     13.55099360      9.83253482    -15.23406226
  H     13.17014775      7.54852430     -8.47239672
  O     10.90776039      6.21690463    -10.12841571
  H     11.18147951      9.80977601    -12.22949778
  H     14.05594760      6.53625594     -9.22770172
  O     17.20857416      6.17993117    -13.62823482
  H     10.54158309     10.96158742    -13.02962135
  H     16.18050079      9.52078231     -9.69943167
  O     14.13484623      7.75537073    -12.42645810
  H     15.05935025      4.32771144    -12.54382823
  H     15.34452658     10.29750150    -10.71928670
  O     11.00065398      7.98383646    -14.81508417
  H     15.65682924      3.59901143    -11.31692144
  H     17.65607214      7.77173953    -13.15033070
  O     17.63503517      8.25931810    -10.12825611
  H     12.91592763      3.01413996    -12.60014385
  H     18.59043181      8.97355393    -13.42331490
  O     13.26657770      6.60900918     -8.66944346
  H     13.41582285      2.32382503    -11.31710987
  H     12.56141572      6.92384003    -12.61882479
  O     15.39597920     10.07299275     -9.77878638
  H     14.91421128     10.44503297    -13.32100534
  H     11.40351822      6.21959857    -11.87659160
  O     17.87385368      8.67872275    -12.86729474
  H     16.26592382      9.80722461    -12.82746544
  H     14.59198001      7.03982311    -14.04983550
  O     11.82084563      6.30861090    -12.74148949
  H     13.22482735      4.74789379     -8.38173066
  H     14.32353449      7.17359994    -15.56253306
  O     14.80418473      6.64875362    -14.91209780
  H     12.30088401      3.62141436     -8.88262141
  H     14.03165647      4.98168323    -14.32444780
  O     13.59663999      4.42925724    -13.66372699
  H     10.07571055      2.77269629     -9.97470102
  H     12.88238366      4.98648288    -13.31594940
          69
 Ord_Energy   -249.481201    
 O    7.02951002      -1.02766776       7.12114573    
 H    7.28202677     -0.170716956       6.74980164    
 H    7.65613461      -1.66479373       6.75520563    
 O   0.620525718     -0.751453221       4.65155935    
 H  -0.332426608     -0.795667827       4.61687374    
 H   0.848970056      0.158499092       4.90415001    
 O    4.10692549      0.816176832       5.80370617    
 H    4.75958586       1.28751171       5.27170753    
 H    4.39593935      0.842117488       6.72552586    
 O    1.96531105      -1.67066538       7.06102514    
 H    2.83444118      -1.97643709       6.77247953    
 H    1.47167063      -1.49134696       6.25284576    
 O    2.40574813      0.519007206       8.74786472    
 H    3.36561847      0.483114839       8.85027504    
 H    2.16461730     -0.258503020       8.22395706    
 O    5.97375679       2.10892344       4.19053888    
 H    5.84909821       1.52733386       3.42834830    
 H    5.53109360       2.95107079       4.02901173    
 O    1.57591999       1.72128332       5.37753916    
 H    1.43087888       2.25331092       6.16751385    
 H    2.46666455       1.34819174       5.49137020    
 O    9.55425358      -6.39650822E-02   4.65367222    
 H    9.20962906     -0.104360253       3.75282383    
 H    9.45291424     -0.953526914       5.01417923    
 O    7.57555676      -2.85112119       3.25460911    
 H    6.61230564      -2.79335237       3.18976903    
 H    7.91697025      -2.10787702       2.74340653    
 O    4.85027790      -2.22100472       3.24946213    
 H    4.77386618      -2.22533536       4.21432257    
 H    3.95251465      -2.09684443       2.90773630    
 O    8.32593822     -0.351390034       2.05135202    
 H    8.69264412     -0.178723365       1.18734884    
 H    7.39526081      -7.70296082E-02   2.01739407    
 O    2.35157561      -1.42038023       2.46545768    
 H    2.49943185     -0.586827695       2.00374961    
 H    1.73775542      -1.23121798       3.18586516    
 O    8.79188538      -2.65738773       5.66785192    
 H    9.30568886      -3.44022012       5.84646034    
 H    8.33228683      -2.81022453       4.82248402    
 O    6.63622999       3.00216985       8.03202057    
 H    7.25678110       3.47671270       8.57960510    
 H    7.15987253       2.52493453       7.36467552    
 O    1.83347523       2.99750137       7.87476397    
 H    2.00251126       2.10600138       8.23342228    
 H    1.25983167       3.43744040       8.49593163    
 O    7.83745527       1.50838017       6.08460474    
 H    7.21914864       1.76284885       5.38273287    
 H    8.57358932       1.05848169       5.64557981    
 O    5.62117386      0.227851436       2.19025731    
 H    5.38524008     -0.618719280       2.59986687    
 H    4.83446598      0.533626974       1.72132957    
 O    2.46005034       2.90551448       2.99960446    
 H    2.02910209       2.54349685       3.78533340    
 H    3.11245871       3.53602123       3.32704282    
 O    4.50780725       4.49069977       4.15580130    
 H    4.73372269       5.40111351       3.98638010    
 H    4.38399506       4.40557337       5.11926079    
 O    4.25647640       4.12652636       6.81923532    
 H    5.02182913       3.78032255       7.29224157    
 H    3.46658492       3.74839616       7.22525740    
 O    4.59205818      -1.88504434       5.96729851    
 H    4.29661465     -0.975753725       5.79950762    
 H    5.44528484      -1.78451169       6.40622997    
 O    3.15013814       1.04642677       1.17442048    
 H    2.79359174       1.29049253      0.324543983    
 H    2.87725616       1.73804188       1.80375504    
 O    5.18522644      0.632441640       8.44096565    
 H    5.80960178      -6.03369586E-02   8.18708134    
 H    5.68356943       1.45838559       8.48101711    
          69
 Energy    -249.48098135469078     
  O     12.42256910     12.46753723    -14.54336971
  H     12.67275893     12.25439012    -13.62625010
  H     14.97265977     11.29857435    -17.49256698
  O     15.63033317      7.07230036    -12.85531368
  H     11.76252233     13.15352513    -14.49470913
  H     15.28765381      8.57834298    -13.87008237
  O     19.25987248     10.96811869    -14.17697687
  H     15.01221830      6.51272856    -13.34648459
  H     15.58317424     10.06502271    -14.27530975
  O     16.44712614      8.66821842    -16.81811590
  H     16.52781610      6.77904842    -13.05070445
  H     14.03294192     11.76099376    -11.73338914
  O     11.94873838      7.71904468    -13.35209735
  H     19.97194063     11.53198022    -14.46718965
  H     12.76325841     10.88843265    -11.71300066
  O     17.98277123     11.34338544     -9.47425271
  H     19.42787836     10.75753382    -13.24065301
  H     18.91708390      7.11924242    -11.81412687
  O     15.02402349      8.70655698    -10.73319771
  H     16.12468241      9.31281936    -17.45936174
  H     19.95527491      6.99073077    -10.68098169
  O     16.52467272     11.57691075    -13.97380132
  H     15.93149095      8.84020318    -16.01381016
  H     11.53051314      9.00688705    -10.52214687
  O     17.34063406      8.72761484     -9.18152586
  H     12.48373602      6.99329880    -13.68968965
  H     12.14119317      8.60125322    -11.88436954
  O     14.39838985      6.68638138    -16.84995846
  H     11.96668923      8.40312738    -14.03817765
  H     17.97540874      8.46908774    -15.85971301
  O     13.76567311      5.73091676    -14.41390091
  H     17.75917406     10.41999843     -9.25446323
  H     18.90759807      9.26759346    -14.91071992
  O     15.07383971     10.68362365    -18.24079708
  H     18.16973899     11.78714879     -8.65181820
  H     18.47928400      7.13813042    -14.05609926
  O     15.07141938      9.27593860    -14.49948310
  H     14.06513159      8.81840528    -10.73649067
  H     18.56666991      5.61219548    -13.80724418
  O     13.11419593     11.73066936    -12.02709279
  H     15.23444708      8.07077925    -11.43232932
  H     19.12243707     10.76585775    -10.87809761
  O     19.22930514      7.52762324    -10.99223059
  H     16.33146818     11.59058394    -13.02582700
  H     19.52956431      9.36936435    -11.38770615
  O     12.28688419      9.14162123    -11.08667850
  H     17.47135608     11.42163139    -14.07808034
  H     12.56862332      9.13454593    -16.95154591
  O     18.66408400      8.37635011    -15.18598213
  H     17.94893160      8.21986837     -9.73173556
  H     13.56836879      9.44059944    -18.07233075
  O     18.32891864      6.43745772    -13.39310155
  H     16.47057938      8.64347758     -9.59773062
  H     16.53138141     11.51577398    -10.67135521
  O     19.59656776     10.31120405    -11.58488603
  H     15.24203341      7.14526623    -16.93163280
  H     15.57257741     10.40541524    -11.15248646
  O     12.88902750      8.81020865    -17.80480659
  H     13.75779433      7.29719673    -17.24409077
  H     13.98644102     12.46515077    -15.63494275
  O     15.83062659     11.32652483    -11.30550401
  H     13.97580908      6.06039641    -15.30731399
  H     15.48057721     12.20107263    -15.39073498
  O     14.82901631     12.34644689    -16.08950566
  H     13.45570510      4.83571931    -14.51995164
  H     12.27402208     10.66261953    -15.03646589
  O     12.43213144      9.72447359    -15.18975133
  H     15.19435358     11.22186813    -19.01843590
  H     13.36708645      9.57147061    -14.97644083
          69
 Energy    -249.48090670592694     
  O     15.03623126      9.60466567    -10.22786068
  H     15.12740182     10.31422978    -10.87796763
  H     13.91898897      6.49748550    -15.43666199
  O     14.35556768     11.66300571    -15.87585924
  H     15.84854912      9.55629424     -9.70810627
  H     13.57842105      8.60627137     -9.78006807
  O     17.65306562     10.17600051    -13.33306347
  H     14.68820855     12.38733998    -15.33094040
  H     12.35424783      8.07950308    -10.54418568
  O     11.81050036      6.11158283    -13.36511297
  H     13.78792048     11.14098506    -15.29520036
  H     18.56800196      5.51603216    -15.18358629
  O     16.98926998      6.45780778     -9.14846499
  H     18.15954582      9.82940396    -12.58447382
  H     17.73179752      6.80042821    -15.02038251
  O     17.85757434     12.27192605    -15.16102259
  H     16.80076233     10.47773852    -12.99482344
  H     16.51191612     13.16470406    -14.47544419
  O     15.18436885      7.54448193    -12.15000823
  H     12.40417213      5.67494469    -12.73524420
  H     15.75812037     14.43795499    -14.01900917
  O     15.19005124     11.25104060    -12.44861649
  H     12.18594426      5.92120269    -14.23134612
  H     13.66490466      9.25883921    -14.30889686
  O     17.73012205      6.49856110    -11.88398609
  H     16.08402098      6.12559851     -9.10818552
  H     12.52053796      9.58820126    -13.32137873
  O     18.86546927      8.98834581    -11.20940955
  H     17.31894182      6.27224685    -10.03762028
  H     16.46185810     10.82907903    -18.09541701
  O     15.44090090      4.43992127    -13.91901883
  H     17.56515836     11.80282994    -15.95094245
  H     15.71763018     10.96287651    -16.74777407
  O     13.48000776      5.65731485    -15.65713351
  H     17.98036536     11.58552939    -14.48846776
  H     10.49885458      8.68739260    -12.11044104
  O     12.90400416      7.91125690     -9.77093866
  H     14.61798073      6.79007694    -11.93834235
  H     11.51463894      7.65877769    -12.65837548
  O     17.86259567      5.90465376    -14.67087496
  H     15.07725444      8.21453936    -11.46438299
  H     13.85624620      5.23630384     -8.30202214
  O     15.67494806     13.49198743    -14.09908961
  H     14.46101317     10.82643993    -12.92416445
  H     13.72602587      6.43375988     -9.27258224
  O     13.16909499      9.99055373    -13.91150250
  H     15.32517216     12.11116755    -12.86411088
  H     14.49798545      4.72909653    -12.37606338
  O     16.53605221     10.63790344    -17.16415124
  H     17.95363252      6.17251017    -12.76147329
  H     14.08200308      5.01414854    -10.86680931
  O     11.43308899      8.52109874    -12.21140302
  H     16.84906382      6.89388099    -11.97820946
  H     15.61430902      8.15223779    -15.16530508
  O     14.25607031      5.64229165     -9.06683215
  H     18.62606156      8.07817388    -11.43343910
  H     14.89845213      7.75212586    -13.85381367
  O     13.83143017      5.12025935    -11.79048915
  H     18.48028276      9.14871184    -10.34027670
  H     17.25975198      8.14129908     -8.81529242
  O     14.75370471      7.91587413    -14.80043282
  H     14.78265089      4.69419666    -14.57856979
  H     17.68985660      9.30353330     -7.88611411
  O     17.37548082      9.10819628     -8.76442415
  H     16.25567654      4.88536721    -14.17641642
  H     17.18181961      9.16362938    -16.20807059
  O     17.36582729      8.52819124    -15.50476406
  H     13.32270662      5.66657268    -16.59762165
  H     17.52918344      9.05382835    -14.70463821
          69
 Energy    -249.48088008651439     
  O     -3.38574142      3.66473008      3.84678742
  H     -3.21836905      3.30311972      4.72523459
  H     -1.06272908     -3.77136521      3.56664770
  O     -2.81776285      1.97851315      1.74910664
  H     -2.64845282      4.26268989      3.67007597
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  H     -0.54673620      0.72821989      4.88134554
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  H      0.95193056     -3.02575377      3.48592917
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  H     -0.84863357     -3.92611336     -0.98693086
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  O     -0.07875082     -1.92213588      6.19868242
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  O     -2.01932791     -3.24482047      2.24042759
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  H     -0.28919121      4.25230607      4.78548241
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  H     -1.70578598     -0.07131883     -0.92006046
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  O     -0.10636146     -0.49220801      1.82662241
  H     -2.85555876      0.28077903      2.43934719
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  O     -1.38054132      0.34674224      5.18928288
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  H      3.02477125     -1.14643986      6.08618374
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  H     -0.49083943      3.74434611     -2.35694943
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  H      4.03385578     -0.05303090     -0.44182285
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  H      2.78185496     -0.84858428     -0.01649176
  H     -0.70867497      4.49719164      2.45848710
  O      2.33632456     -0.98226233      5.44763790
  H     -0.65987484     -1.19092462      5.94643700
  H     -0.82531005      5.96829539      2.91670557
  O      1.17767100      1.42379045      4.53534643
  H     -0.30667942     -2.66634879      5.62751190
  H     -2.15346910      2.06829257     -1.28878766
  O     -0.94346482      5.06806581      3.20920293
  H     -1.59176047     -3.25189945      1.37613304
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  O     -0.34697768      3.31425963      1.18554573
  H     -0.52376387     -4.92575854      4.44481586
  H     -0.42316912      3.37682229      0.22440990
          69
 Energy    -249.48079256303026     
  O      0.67675390      0.04506995      2.77984144
  H      1.21791270      0.09858512      1.98424696
  H     -1.89441389      0.83841546      6.79307698
  O     -2.80181044     -0.01748785     -3.58059121
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  H     -1.08160522      3.96407704      1.45015996
  O     -0.15242361     -1.61783604      4.85087568
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  H      0.04809790      3.48942421      2.33242623
  O     -4.45773424     -0.37555947     -1.31057021
  H     -2.80776767      0.39696860     -4.43937610
  H     -1.95377232      1.27530617     -0.65413690
  O     -1.82578389     -2.57816998     -2.65530541
  H      0.29930611     -1.14044746      4.14070519
  H     -3.40015940      0.80358325     -0.40767124
  O      0.05981992     -1.71702889     -0.83687386
  H     -0.58987545     -0.93387781      5.36996055
  H     -2.20239586      0.21397093      1.31836989
  O     -2.86365030      2.93076058      2.20836430
  H     -4.16395103     -1.25552481     -1.03034841
  H     -1.04405490     -0.20671249      2.28606538
  O     -4.06988392     -2.86220725      3.81138850
  H     -4.06567388     -0.22144717     -2.17863654
  H     -4.38280677     -3.03765806      0.16896618
  O     -0.74957559      0.78178646     -1.94957776
  H     -2.51251544     -2.85153413     -2.03354147
  H     -2.84685831     -3.00113841      0.10986889
  O     -5.35819646      1.71181503      3.01332736
  H     -2.19021494     -1.82222730     -3.13063694
  H      1.40114599     -0.71575169     -0.13710605
  O     -3.59969652     -0.10422790      4.21433218
  H     -0.31278125     -2.15458800     -0.05911668
  H      2.89236342     -0.40324145      0.11076219
  O     -1.59205215      0.64496877      5.90939678
  H     -0.43443092     -2.08410925     -1.58522590
  H     -1.40570524      2.47982185      3.28390844
  O     -0.12376881      3.87341264      1.46380959
  H     -2.79958281      2.46072638      1.36311900
  H     -0.86098758      1.85443181      4.59356471
  O     -2.67977629      1.31755038     -0.01956041
  H     -3.72435585      2.67998045      2.56128555
  H      0.64886146      2.97726564      0.04050993
  O     -1.96172457     -0.38488827      2.03654073
  H     -3.97637961     -1.94194841      4.08991638
  H      1.45750220      1.68861463     -0.26649531
  O     -3.64104034     -2.90832535     -0.43568414
  H     -3.19169213     -3.25605514      3.87513949
  H     -0.92173652     -3.06938558      4.27694877
  O      2.00836556     -0.10298591      0.30968788
  H     -0.11908337      1.45235844     -1.64355429
  H     -1.05139050     -4.60812214      4.35594052
  O     -0.59177087      2.28628094      3.77476280
  H     -0.47349813     -0.06313102     -1.57071400
  H     -1.31614485     -3.41420584      2.04221657
  O      0.97666699      2.41662779     -0.67663618
  H     -6.17532488      2.14738302      3.24062633
  H     -1.69229315     -2.01904502      1.51820963
  O     -1.37916624     -3.84035267      3.89550881
  H     -5.56996162      1.07879198      2.30303481
  H     -6.33898256     -3.55401774      1.74532021
  O     -1.40819897     -2.90298296      1.23129807
  H     -4.28115700      0.52189068      3.94144374
  H     -5.06454013     -2.96766653      2.39719474
  O     -5.61174756     -2.95662279      1.59146756
  H     -3.02196172     -0.22688148      3.44281456
  H     -5.55890015     -0.10943997      0.20072124
  O     -5.88058393     -0.14862996      1.10997774
  H     -2.37481658      0.38344110      5.39395041
  H     -5.86922339     -1.08524924      1.34230953
          69
 Energy    -249.48037299272761     
  O     13.00244146      9.35764480    -16.37321617
  H     12.77779482      9.15240253    -15.44747361
  H     16.93801138      4.22945248    -15.53805738
  O     16.80505407      5.82946667    -12.88627567
  H     12.20710826      9.69049940    -16.78021046
  H     16.81819303      9.92053303    -17.22975370
  O     19.68883050      9.85063197    -13.39633561
  H     16.61762688      6.53310050    -13.53008571
  H     18.32795557      9.57791514    -17.17314975
  O     19.90841900      9.70321058    -16.09787380
  H     16.74322891      5.00498205    -13.38272040
  H     17.39480154      7.58448405    -15.19921234
  O     13.93104764      4.98758469    -14.92953026
  H     19.56716605      8.92612507    -13.14226224
  H     15.85408663      7.51742106    -15.45684153
  O     15.58577182     10.75068459     -9.58963866
  H     19.15509767     10.35924708    -12.77699067
  H     12.40860491      7.77656921    -13.52885483
  O     14.80309887      6.88531621    -11.28283434
  H     20.70122117     10.14720510    -16.38739103
  H     12.91323200      9.15760862    -13.08976009
  O     16.10000398     10.18060682    -13.63269326
  H     19.82243512      9.88068608    -15.14452796
  H     19.56606260      8.85129135     -9.61517525
  O     17.73454567      5.15003148    -16.78350361
  H     14.74885680      4.48005266    -14.87836154
  H     18.49884087      9.29139270    -10.64277220
  O     16.20265160      8.13976549     -9.17371963
  H     14.07856127      5.66262824    -15.60697753
  H     13.07612051      5.60248130    -13.57402796
  O     19.24303995      7.04942175    -15.43414680
  H     15.30846982     11.20673467     -8.79996285
  H     11.85947660      5.46201252    -12.62755123
  O     16.50979526      3.77188836    -14.79191592
  H     15.77619604      9.82938482     -9.33369015
  H     19.25473663      7.48445834    -11.69639173
  O     17.51034617      9.38132622    -17.64153202
  H     13.99581166      6.53782943    -11.68351045
  H     18.44556187      6.59113559    -12.64276688
  O     16.52893807      7.73755370    -14.80214196
  H     15.53513150      6.46984184    -11.76028228
  H     17.07132219     10.90606006    -10.80267642
  O     12.45506852      8.69934553    -13.80605694
  H     15.33755093     10.03330054    -13.05694745
  H     17.21193313     10.53300889    -12.28942572
  O     18.87159360      8.52083762    -10.18085778
  H     16.29842786      9.32846843    -14.05004676
  H     16.95188423      7.90279510    -18.29164065
  O     12.61296704      6.01316073    -12.82082583
  H     18.39401060      5.72056799    -16.36324195
  H     16.62070730      7.06309308    -19.54936304
  O     19.25103519      7.12653938    -12.59310377
  H     17.33227260      5.68729787    -17.47529702
  H     14.47570630     10.09642028    -11.00680869
  O     17.72310397     10.68119686    -11.47738601
  H     15.69440037      7.59339126     -9.78863810
  H     14.39767914      8.65917181    -11.57845844
  O     16.57282012      7.05721805    -18.59765385
  H     17.12592509      8.07303803     -9.44577598
  H     15.72120552     10.77335009    -15.39315734
  O     14.14326059      9.57878875    -11.74865360
  H     19.59124841      7.89273871    -15.75035050
  H     14.62600453     10.38825568    -16.39732721
  O     15.50543794     10.77899084    -16.33482069
  H     19.42608771      6.99738745    -14.48706571
  H     14.00201508      7.85038666    -16.70272289
  O     14.55689999      7.05987847    -16.67498073
  H     16.74408368      2.85089550    -14.86642354
  H     15.13258853      7.05649963    -17.45061913
          69
 Energy    -249.48027849182603     
  O     13.30943196      5.90962001    -15.64836883
  H     13.57438192      6.08904667    -14.73593797
  H     18.82046205      5.64254474    -15.95813591
  O     18.45764736      7.32277320    -12.14193980
  H     12.82474696      6.68990384    -15.94080685
  H     18.47182017      8.80572678    -17.76039661
  O     18.81877158      7.22345696    -18.74260568
  H     19.26756734      7.26036678    -12.66300562
  H     17.62001265      8.73773507    -16.49141067
  O     16.25545058      6.33195258    -18.77291969
  H     17.96129508      8.06670793    -12.51482603
  H     15.69505225      7.80721713    -16.22248629
  O     14.74489545      8.28892078     -9.96711656
  H     19.22304499      7.05277920    -19.58875024
  H     16.68606816      6.79012109    -15.58089352
  O     14.19689710      6.53513308    -13.07120353
  H     17.91440016      6.86304248    -18.78794380
  H     14.43051105     10.47672177    -15.47792843
  O     17.15084826      9.33090011    -13.49671910
  H     15.67427575      7.08012541    -18.57417198
  H     13.92106431      9.93540292    -14.11173760
  O     17.18495092      5.01627363    -15.46961112
  H     15.87221801      5.58013037    -18.30761924
  H     14.99227429      4.96726850    -10.18338634
  O     13.32209777      5.85391678    -10.53882697
  H     15.63527328      7.96757829     -9.78008800
  H     16.41741762      5.44432184     -9.84951723
  O     19.54316559      9.99387708    -14.67413532
  H     14.18541636      7.50287034     -9.99249124
  H     12.65481241      9.04885929    -15.88733952
  O     14.99881824      4.36896840    -17.08123960
  H     15.06983559      6.12095419    -13.02205367
  H     11.33174059      8.71983508    -16.62247277
  O     19.60076388      6.16941016    -16.18291241
  H     14.31975312      7.48879577    -12.96640819
  H     21.50986846      7.16448067    -13.90370445
  O     18.11978578      9.35409387    -17.04967039
  H     17.96306294      9.74601098    -13.81902358
  H     20.26088523      6.93783923    -14.78550760
  O     16.41520491      7.71662163    -15.58806909
  H     16.82843598      8.75814331    -14.21094579
  H     17.34682099      5.92941931    -12.60301446
  O     13.65010018     10.15767492    -15.01334955
  H     16.98006195      4.91568879    -14.52871007
  H     16.43416695      4.87361682    -11.92930022
  O     15.91914985      4.69706410    -10.20524796
  H     16.46033894      4.64262723    -15.98627906
  H     17.98657631      7.33975759     -8.91909723
  O     12.21275009      8.39510960    -16.46049799
  H     12.41026240      5.57813764    -10.49648250
  H     17.83172726      7.20527963    -10.44865617
  O     20.58511165      7.38362781    -13.98187540
  H     13.51290797      6.04769208    -11.47215456
  H     15.88841504     11.77181426    -17.24408113
  O     16.67737269      5.25592149    -12.78464107
  H     19.22382181      9.87237275    -15.57818254
  H     16.68048530     10.47187717    -17.00010201
  O     17.36056548      7.11770745     -9.60434250
  H     20.00917703      9.17920789    -14.44757637
  H     15.52811424      9.42210057    -12.78332875
  O     15.79657761     10.87010962    -16.94535627
  H     14.56111130      3.55699135    -17.32145446
  H     14.59018750      9.07042936    -11.59408619
  O     14.60255032      9.26679863    -12.54171692
  H     14.34781056      4.90537893    -16.59262740
  H     14.98540340      9.31196762    -17.65130450
  O     14.68320377      8.40537230    -17.79043237
  H     19.44380508      6.51087109    -17.06995826
  H     13.77079816      8.36497955    -17.47762604
          69
 Energy    -249.48008788292054     
  O     12.75866149     12.93522342    -14.23661678
  H     12.50046222     13.83987583    -14.07442862
  H     14.36832149      6.40124704    -15.57908184
  O     17.20813215      6.43724314    -14.00854583
  H     13.45491258     12.73927241    -13.59276188
  H     16.85853188      9.78777254    -14.04294925
  O     18.78914422     10.35008253    -11.46040942
  H     16.34966348      5.99672206    -13.99276524
  H     18.19171678     10.54043292    -14.35931441
  O     16.70386234     13.24498952    -14.23473610
  H     17.30013817      6.80304301    -14.89564672
  H     16.66955022      9.68375926    -19.62861460
  O     14.56890204      5.30318749    -14.09087494
  H     18.57945235      9.41480680    -11.55083858
  H     15.51557408      9.46893861    -18.62172139
  O     14.82326238      9.85364296     -8.89932257
  H     18.06664883     10.76157302    -10.96164730
  H     14.64076580      9.32200746    -13.59484088
  O     13.42357672      6.61542195    -12.02485355
  H     16.53710736     12.91578694    -15.12588636
  H     15.40526032      9.00197954    -12.26878096
  O     14.86483292     12.21246933    -12.49993651
  H     17.58130035     12.91976952    -13.99322504
  H     14.44353429     11.43238857    -16.38766451
  O     13.84701116      9.14201895    -18.18913115
  H     14.37604817      4.37259000    -14.01353140
  H     13.14281288     11.92075830    -15.69244307
  O     15.52843841      7.91120576    -10.78734547
  H     14.11655668      5.74578785    -13.35054716
  H     17.84782922      7.17153256    -12.54090658
  O     17.05600505      7.91866771    -16.48583719
  H     14.11469545     10.20180268     -9.47151320
  H     18.84439186      6.96749602    -11.37995193
  O     14.38007227      7.14035243    -16.20032400
  H     14.50069098      9.88985018     -8.00323328
  H     12.17563141      9.00670737    -13.23224313
  O     17.53978002      9.92721712    -14.71758188
  H     12.75497330      7.30762319    -12.06146056
  H     10.80022090      8.95951813    -12.52885447
  O     16.46834124      9.65786691    -18.69711750
  H     14.15040438      6.97791274    -11.49743394
  H     20.06464040     12.19963936    -13.67349978
  O     15.39166538      9.57724387    -13.04279687
  H     15.04703289     11.27359860    -12.66537102
  H     19.09879103     11.39571736    -12.76817560
  O     13.49552384     11.25613062    -16.30033520
  H     15.49523074     12.70472944    -13.04971963
  H     16.07667406     11.05262293     -9.67639519
  O     18.14273639      7.53629707    -11.68782668
  H     13.54435777      9.88088321    -17.64438488
  H     16.05827717     11.97011449    -10.91295805
  O     11.74002684      8.93424342    -12.36511024
  H     13.85073394      8.36465312    -17.61620858
  H     16.40620635     11.09920052    -17.39409926
  O     19.15899126     11.91493134    -13.59204792
  H     16.47362930      7.75974075    -10.91718965
  H     16.68810253     11.01710243    -15.88956039
  O     16.64122280     11.58439111    -10.25026563
  H     15.40006089      8.51210378    -10.04241642
  H     13.51490238     11.44423523    -11.27908972
  O     16.25720412     11.56478394    -16.56267202
  H     16.99850206      8.37309231    -17.33430079
  H     12.57046196     10.21643919    -11.25060934
  O     13.05158224     10.83845092    -10.68976860
  H     17.30762233      8.60568726    -15.84749513
  H     13.23048110      9.86995472    -15.21267141
  O     13.19165783      9.07979765    -14.65597448
  H     15.30957155      7.39213520    -16.30558372
  H     13.53469398      8.34391564    -15.18057042
          69
 Energy    -249.47996343194717     
  O     11.55312425      5.75900775    -15.07208831
  H     11.30413085      6.07243488    -14.18347172
  H     14.89787504      4.62940827    -14.10093823
  O     16.81742159      6.35357413    -12.11802394
  H     10.74358956      5.52962506    -15.52003935
  H     19.43093947      8.31032511    -12.26473034
  O     16.88372960      9.95967812    -10.84777967
  H     16.49342681      7.17329506    -12.52676312
  H     19.53015577      7.21759600    -13.34715794
  O     17.71701387      9.09250644    -15.54617829
  H     17.76947311      6.49876442    -12.04248249
  H     16.97217582     11.68508614    -13.99853509
  O     13.31729911      3.90632114    -13.67684051
  H     17.82124467     10.11606497    -11.00485384
  H     17.92275313     10.72931932    -14.73072587
  O     12.98486982     10.61342168     -9.84353875
  H     16.57177484      9.52023314    -11.65294402
  H     15.25887024      8.99084322    -13.52557112
  O     14.51244829      6.62603782    -10.60862144
  H     17.11796966      8.75788381    -16.22476608
  H     16.73689186      8.87605435    -13.98186190
  O     15.00271755     11.94488104    -14.05413152
  H     18.44035744      8.45624103    -15.46659109
  H     11.42745286      5.84120828    -11.95793036
  O     17.50712034      5.66467106    -16.33104923
  H     13.08281765      4.07030765    -12.75453093
  H     11.50250971      7.34196544    -12.26880035
  O     15.07439684      8.77668784     -9.03236309
  H     12.66825159      4.38679777    -14.20394637
  H     12.50500933      4.16197049    -10.23406013
  O     19.58813539      7.02321405    -15.25284795
  H     13.63548277     11.16482817    -10.31564917
  H     13.31067556      5.35105391    -10.80432052
  O     15.62776043      5.21771431    -14.34224059
  H     12.44544478     11.20329747     -9.32485294
  H     20.17395827     10.79367637    -11.90303573
  O     19.38227635      7.35730500    -12.40347254
  H     14.71142064      7.28513135     -9.92630578
  H     18.89581343     10.73865927    -12.76800979
  O     17.90041348     11.43718082    -14.07049895
  H     15.34502365      6.41920628    -11.05421932
  H     15.68425549     11.35840210    -11.00906280
  O     16.13961877      8.72790044    -13.23748754
  H     14.63108704     12.60223446    -14.63823918
  H     14.92019450     12.05206035    -12.15280767
  O     11.05529727      6.52575541    -12.52894440
  H     14.48012122     11.13656663    -14.18155091
  H     13.09081967      6.66388725    -15.51155744
  O     12.62153741      4.69727843    -11.01462412
  H     16.88550227      5.35562860    -15.65543009
  H     14.57026434      6.50016117    -15.08308284
  O     19.39278228     10.27332239    -12.07250471
  H     17.01550405      6.30663358    -16.85494067
  H     12.74666304      9.28101108    -11.08462798
  O     14.91916185     11.92019561    -11.19818188
  H     15.80791302      9.16776805     -9.52806542
  H     13.41852766      7.92179157    -11.42165610
  O     13.95741043      7.08864706    -15.55019340
  H     14.34624136      9.40369432     -9.11095509
  H     13.67606644      8.73118012    -14.75082312
  O     12.79552024      8.58396792    -11.75165073
  H     18.90049772      6.43951582    -15.62087268
  H     13.23809004      9.25413946    -13.35239469
  O     13.64667280      9.51902296    -14.19119960
  H     20.40641666      6.78625359    -15.68137070
  H     15.13822783      7.61068890    -16.78800625
  O     15.89744158      7.86292455    -17.33964513
  H     16.08317993      5.48004210    -13.53115443
  H     15.55716686      8.03643173    -18.21367539
          69
 Energy    -249.47986398600077     
  O     13.15087944     11.84982283    -16.09739080
  H     13.49210761     11.22261235    -16.75071312
  H     13.60226343      6.75319109    -19.57995510
  O     11.78546996      7.53624568    -13.45046092
  H     13.81331500     12.54789254    -15.98840558
  H     17.08852405      9.07357201    -18.55891020
  O     13.62267989     11.06514118    -13.48190019
  H     11.45453727      7.43571062    -14.35224838
  H     16.41999119      7.80447643    -19.13967507
  O     10.75553965     10.56835853    -15.72706987
  H     11.42819449      8.37852450    -13.14294319
  H     13.93909758      9.80090943    -18.72676373
  O     11.14277783      7.82721757    -16.23012702
  H     13.45581568     11.33259733    -14.39845471
  H     13.98714230      9.05872463    -17.35759417
  O     16.80283218     10.27151740    -17.14701878
  H     14.45059859     11.48771600    -13.22444774
  H     11.70928189     11.60464925    -19.42600374
  O     13.87122809      7.50114620    -16.45390140
  H     11.54631442     11.11072823    -15.87659725
  H     11.84172718     12.76846085    -20.42895078
  O     15.25610966     13.50967774    -15.58348432
  H     10.64143294     10.52149366    -14.77098746
  H     16.17540226      9.08696387    -14.20671541
  O     13.56680114      9.67716437    -20.60328389
  H     11.01711639      8.77093676    -16.05442094
  H     16.90654552      9.84468387    -15.34847732
  O     14.39294519      8.37507782    -13.89296424
  H     10.78308392      7.66820875    -17.11159734
  H     14.78028608      6.73037170    -17.75737019
  O     16.19005484     10.35119066    -21.22943201
  H     17.02407687     11.19612017    -17.31335333
  H     15.54154968      5.53780970    -18.37726305
  O     12.80060745      7.11719254    -19.96964004
  H     15.86442172     10.17821195    -17.37207161
  H     15.56675120     11.89141509    -20.30460678
  O     16.97331196      8.56007655    -19.37031279
  H     14.18132308      7.76054282    -15.57555058
  H     14.26433741     12.50199554    -19.73300719
  O     14.13354938      9.91087575    -17.79003832
  H     12.90402056      7.50523669    -16.41748951
  H      9.70222037      7.25399024    -19.40153653
  O     12.34394857     12.09224954    -19.98118536
  H     15.66194731     13.14325826    -14.78814167
  H     11.23579857      7.43824760    -19.31174729
  O     16.86117150      9.74068255    -14.38770432
  H     15.90893674     13.42025440    -16.28914272
  H     16.34921121     12.93831277    -18.47764003
  O     15.22052043      6.41661800    -18.56599772
  H     14.44496575      9.87144565    -20.95582046
  H     17.69286244     13.59830622    -18.08575905
  O     15.22203362     12.60547924    -19.75265381
  H     13.08095005     10.51113812    -20.55822986
  H     11.96445881     10.60018905    -12.98073585
  O     10.38645277      7.71287866    -18.92177469
  H     13.58529476      7.91160347    -13.62560996
  H     10.67900112     10.70653435    -12.12932843
  O     17.00644454     13.02091513    -17.76275452
  H     14.19265510      9.31114998    -13.75608991
  H     16.82759587     12.34572768    -12.56357874
  O     11.04842684     10.28357389    -12.90039543
  H     16.73789210     10.29517789    -22.00719701
  H     16.53324626     11.27535671    -13.64232307
  O     16.21803096     12.11419564    -13.25854071
  H     16.53127561      9.69474416    -20.59461955
  H     10.48095086     10.64799468    -17.60717632
  O     10.58814864     10.57142163    -18.56326811
  H     13.04944830      7.98880639    -20.31309804
  H     10.48339792      9.63410476    -18.76551522
          69
 Energy    -249.47956306791491     
  O     16.35027441      3.73506190     -9.37747542
  H     16.11653684      4.39613297     -8.71506149
  H     12.59679725      6.64800078    -15.20094071
  O     17.94790485      8.37979409    -13.35824232
  H     15.52036555      3.51364481     -9.82201268
  H     14.65784267      5.20198490    -11.31196314
  O     12.96710753      7.69237232    -12.28599923
  H     17.93571727      7.79467498    -14.12245212
  H     15.67501859      5.75974656    -12.33567062
  O     13.40819171      7.88040768    -16.40437637
  H     18.30501744      7.86729110    -12.61824107
  H     17.61182074      3.91991486    -10.56580405
  O     16.28901485     10.43066736    -12.89975936
  H     12.70601163      8.17197954    -11.49265710
  H     18.94794776      3.37030630    -11.11321672
  O     16.43751348      7.42115782     -9.69482242
  H     13.73115714      7.14612667    -12.04266762
  H     12.13088995      9.78574778     -9.56802685
  O     18.74577091      6.87088804    -11.18024467
  H     13.68611254      8.47406473    -15.68198888
  H     13.56516221      9.39294638    -10.00094837
  O     11.12589062      4.18452267    -12.81201182
  H     12.96632205      8.42265141    -17.05175810
  H     12.39390588      5.90472064     -9.17842217
  O     15.48980437      5.98817933    -16.67617189
  H     16.90461270      9.69183015    -13.06268179
  H     12.84748835      7.37464358     -9.02133109
  O     15.39252027      5.80375002     -7.64521543
  H     16.78171736     11.23262947    -13.05123762
  H     14.83076316      9.79975336    -13.88081645
  O     17.87094077      6.44374468    -15.45508354
  H     15.95744478      6.95302138    -10.39546362
  H     13.65253937      8.87330402    -13.53616472
  O     12.41511246      6.09181213    -14.43457440
  H     16.21090703      6.96545897     -8.87624478
  H     15.54342336     10.08814199    -11.19790534
  O     15.03759298      6.01977725    -11.65830756
  H     18.05883268      7.13999919    -10.55415779
  H     15.72206049      9.07349839    -10.04567058
  O     18.27014438      4.02064178    -11.27647991
  H     18.71038399      5.90850237    -11.19659057
  H     10.67025104      4.19833321     -9.70386776
  O     12.66416107      9.04910226     -9.85250183
  H     11.41004667      4.85528482    -13.44700092
  H     11.24530445      4.53956061    -11.09468634
  O     12.97713968      6.48342272     -8.67372515
  H     11.68369437      3.41558753    -12.98119079
  H     17.26157241      5.35196006    -14.08879486
  O     14.05805125      9.36688425    -14.26163502
  H     15.10005221      5.22385929    -16.23600824
  H     17.33540468      4.47388307    -12.79157317
  O     15.18940485      9.82586859    -10.33996368
  H     14.80952303      6.67426599    -16.66762486
  H     13.10099900      3.82896176    -10.44766880
  O     11.42144164      4.59426993    -10.13902912
  H     14.50388013      6.02442174     -7.97930133
  H     13.76465080      3.01108312    -11.58189479
  O     16.74491967      4.81126561    -13.47778778
  H     15.35111007      5.86506520     -6.69488659
  H     13.65525020      2.81475286    -13.83621023
  O     13.95386314      3.54235756    -10.79843137
  H     17.04221173      6.34534453    -15.95654957
  H     13.24041563      1.35078144    -13.55572159
  O     13.20817060      2.23324584    -13.19661002
  H     18.58409700      6.32372918    -16.07651792
  H     15.21021137      4.33047296    -14.28981131
  O     14.38855760      4.12023082    -14.75932514
  H     12.52187523      6.66190991    -13.65704869
  H     13.75109540      4.83123193    -14.59369516
          69
 Energy    -249.47910693014461     
  O     16.41265406     10.04098545    -17.37070734
  H     15.51067328     10.17541748    -17.04901266
  H     19.77975121      6.53013771    -12.61873432
  O     17.11891831      5.36156084    -13.56636305
  H     16.87807481      9.52746820    -16.69262576
  H     21.16487905     11.38086294    -17.38980254
  O     17.11500695     14.40173943    -12.54382510
  H     16.48012641      6.08232114    -13.53514337
  H     19.67366573     11.33623636    -16.97704952
  O     20.18032473      9.51901328    -14.56580584
  H     17.80815058      5.59586308    -12.93154631
  H     18.58059738      8.82056311    -15.16277991
  O     15.75067610      6.53910787    -17.71018166
  H     17.07333814     13.71300411    -13.22729897
  H     17.86516176      7.58672864    -15.79905030
  O     15.83378068     10.81800160    -10.87029179
  H     16.51548078     15.08912979    -12.82180377
  H     14.09953459     10.48414007    -15.24258990
  O     15.66462285      7.89309576    -13.82401959
  H     19.88441948     10.09480850    -13.84759096
  H     13.78695782      9.22341412    -16.07841365
  O     17.13209593     12.17195261    -14.17688018
  H     20.39411617     10.05555516    -15.33918326
  H     16.74562400      8.30091709    -12.34318463
  O     20.76598102      6.88570816    -13.98658741
  H     16.47095157      6.11727083    -17.21843918
  H     18.04386943      7.82937620    -11.65003224
  O     20.64536160      5.97514811    -16.69293299
  H     16.18655347      7.09344095    -18.36586297
  H     13.13178823      6.73413598    -15.97222056
  O     17.90053030      5.76683386    -16.16964921
  H     16.33756468      9.99575512    -10.92373562
  H     14.52198366      7.03516433    -16.57984111
  O     19.17137395      6.37170597    -11.87388973
  H     16.48391022     11.50323327    -10.67701158
  H     17.70473799     13.40793255    -11.21344515
  O     20.49276073     10.81058568    -17.02660166
  H     14.95870080      7.62232032    -14.42624590
  H     18.34040797     13.17015843     -9.82328089
  O     17.73094394      8.48840527    -15.47573092
  H     16.41928132      8.14178626    -14.38523424
  H     18.78226874     11.46319435    -11.78222639
  O     13.95902492     10.17146567    -16.14512730
  H     17.79274135     11.69076645    -13.66014431
  H     18.41177343     10.02165449    -12.21269681
  O     17.42416624      8.56830739    -11.70972767
  H     16.30208623     11.69130508    -14.05614922
  H     20.12214975      9.07890138    -17.79117622
  O     13.89047120      7.30565542    -15.88883893
  H     20.81023095      6.47863685    -14.85886708
  H     19.08013299      8.22071976    -18.55157383
  O     18.01770878     12.72068646    -10.59971567
  H     20.68551809      7.83675770    -14.15018291
  H     15.07116954     10.81012676    -12.54493676
  O     18.90727425     10.80988994    -12.48145653
  H     21.25506999      5.45380734    -17.20792343
  H     15.08867400      9.68827416    -13.59690074
  O     19.93079468      8.18475509    -18.09754425
  H     20.44324216      6.77077694    -17.21845974
  H     17.50476475     11.50342760    -17.15969905
  O     14.90712704     10.62960181    -13.48254484
  H     17.70137085      5.47787209    -15.26657101
  H     17.84116414     12.28379426    -15.89016274
  O     18.15398647     12.11728392    -16.78896062
  H     18.84430736      5.65655065    -16.33161683
  H     17.12809605      8.67620953    -20.19389404
  O     17.32043121      8.38534679    -19.30589416
  H     19.66612088      5.89963493    -11.20960437
  H     16.94923763      9.05593807    -18.70509786
          69
 Energy    -249.47908200542471     
  O     10.59241562     10.92296953    -10.10522764
  H     11.08995285     10.11557064    -10.33019344
  H      9.55435718      8.70945877    -16.63016803
  O     14.68496853     11.33507271    -12.85994333
  H      9.84163772     10.64782811     -9.58611654
  H     13.50380727     13.33897244    -14.95645738
  O     16.63177523     13.34668349    -15.47022044
  H     15.58800560     11.66673888    -12.96470319
  H     13.02365010     13.26816068    -16.42417568
  O     14.80107025      8.13509219    -10.56319470
  H     14.08233214     12.07789732    -12.98999543
  H     17.57850204     10.57809621    -17.49266827
  O     10.84636024     11.69753976    -12.80840232
  H     16.93532787     12.55857706    -15.93701393
  H     16.25229501     10.60836496    -16.69994577
  O     11.36787390     13.16110243    -17.29009044
  H     15.68967428     13.42297417    -15.66728706
  H     13.25837401     14.00564609    -10.27661023
  O     14.47689922     10.52813294    -16.53930215
  H     15.35849920      8.01722447    -11.34745993
  H     13.42446408     15.53911528    -10.42566099
  O     14.91324498     10.95815052    -10.12294697
  H     15.01177195      7.41544646     -9.97169567
  H     17.71038661     10.67769673    -13.49593852
  O     12.94289679     13.44510500    -13.24941507
  H     11.12178908     10.82935330    -13.13864522
  H     17.63346173     10.03365435    -14.88678453
  O     14.21619241      9.05546705    -14.20826351
  H     10.63828570     11.57083557    -11.87541444
  H     15.44252097     14.00186570    -10.73837299
  O     12.76814436     12.59787606     -9.40839996
  H     10.76442882     12.84394315    -16.59403195
  H     15.95493639     12.63575813    -10.26089890
  O     10.13629957      9.29212102    -16.14989196
  H     10.89640603     13.82939099    -17.77993835
  H     12.45585516      9.03575135    -13.95386397
  O     13.79738636     13.14992336    -15.85954950
  H     14.37267367      9.94364119    -15.77518105
  H     11.00948038      9.07310777    -14.52712533
  O     17.21307724     10.73485935    -16.62553331
  H     14.25134313     11.42673809    -16.25330710
  H     16.88397620      8.51068143    -13.22073811
  O     13.61339460     14.70799557    -10.85270815
  H     14.96035483     10.00128791    -10.03633275
  H     16.83669861      6.97082709    -13.10650792
  O     17.71586830      9.82241389    -13.94943203
  H     14.77758877     11.10802609    -11.07171229
  H     11.76368749     11.35283540    -17.81115817
  O     16.24174084     13.46870428    -10.65654059
  H     13.14065597     13.98734915    -12.47498767
  H     12.87769756     10.33802468    -17.50134606
  O     11.52311614      9.13523035    -13.71265600
  H     12.15073830     12.92107560    -13.06046132
  H     11.78160297      8.73218538    -11.90380899
  O     16.35617189      7.76321608    -12.88195407
  H     14.37161695      9.88014365    -13.71449215
  H     12.90564814      8.53655658    -10.85492902
  O     11.96565320     10.40864955    -17.81257571
  H     14.87713919      8.43323224    -13.88967758
  H     17.10854696     12.89440301    -13.77394692
  O     11.97148173      8.74757555    -10.95564981
  H     11.96791686     12.08467116     -9.56845233
  H     17.04582519     12.89335638    -12.19204768
  O     17.25778368     12.36654422    -12.97503480
  H     13.50491013     11.97948648     -9.51561909
  H      9.72821864     11.11038969    -15.63757671
  O      9.76662693     12.04430311    -15.39634099
  H     10.79694810      9.61859242    -16.78714555
  H     10.01252195     12.06221864    -14.46270979
          69
 Energy    -249.47832673448011     
  O      0.13845312      3.24237458      2.71553590
  H     -0.56895323      2.76599836      2.25892506
  H      1.30312173      1.28946695     -0.49163404
  O     -3.15355996      4.66861810      0.41524415
  H      0.91431993      2.66906068      2.74550150
  H     -0.88412995      4.34124613     -2.58198952
  O      1.33684557      7.58536838      0.97106157
  H     -3.01290543      5.24326636      1.17754245
  H     -1.37040113      3.16015501     -3.44600202
  O     -1.34857123      5.56464120     -1.42187222
  H     -2.58875879      5.01683354     -0.29247390
  H     -1.16224709      8.43137393     -0.93556731
  O      2.78980628      4.03073965     -0.75054018
  H      1.71663715      7.55005785      0.07986120
  H     -1.41840504      9.00597037     -2.35167154
  O      0.49246289      4.96399977      0.49042609
  H      1.99944552      7.35391917      1.63230435
  H     -2.95756395     -0.00122604     -1.46597423
  O     -2.45292702      6.43951987      2.51355569
  H     -0.66269595      5.37603948     -0.75991399
  H     -2.48462663     -1.14249845     -2.40017756
  O     -0.36617683      1.51960934     -1.24944678
  H     -1.28294358      6.49646113     -1.66262749
  H      3.37556137      3.38615978      2.24203764
  O     -0.06053328      5.81566357      3.66581388
  H      1.97822058      4.34073371     -0.31842274
  H      3.58502793      4.22363704      0.96779075
  O     -1.81165781      2.25033453      1.03633489
  H      2.69650452      4.28612039     -1.67424261
  H     -4.26862227      3.74684801     -0.66651195
  O     -1.27458140      8.43291590      0.78879443
  H      0.72955852      5.85463292      0.78425527
  H     -5.60150260      3.57297832     -1.42373644
  O      2.17899229      1.37744475     -0.09407267
  H      0.37699427      4.41017338      1.27158556
  H     -2.81936208      1.38541424     -3.19859897
  O     -0.57096732      3.61375825     -3.14242743
  H     -1.59579527      6.24275029      2.93148384
  H     -3.59328427      2.65440625     -2.81344670
  O     -1.00369231      8.28500072     -1.88695921
  H     -3.02917858      6.73324863      3.21545005
  H      2.83922587      0.94588246      2.98433245
  O     -2.36988664     -0.21523585     -2.21280558
  H     -0.34964932      2.24138976     -1.89158129
  H      2.38554413      1.49545409      1.60832139
  O      3.67916068      4.24672885      1.92902488
  H     -0.94185823      0.83484784     -1.61303773
  H      1.05027195      4.40443857     -3.32568668
  O     -4.73932860      3.18241716     -1.30109300
  H     -0.00562109      4.86120884      3.50606301
  H      2.25049466      4.87462169     -4.17182861
  O     -2.97358353      2.30101198     -3.46283486
  H      0.83947275      6.14550354      3.57572170
  H      3.39508226      6.82290447      3.72993883
  O      2.48195264      1.71693946      2.55338739
  H     -2.26933989      3.08216965      0.85286154
  H      3.10998797      5.68836600      2.72045751
  O      1.88441496      4.90063462     -3.29080593
  H     -1.27647817      2.03752324      0.25718348
  H     -3.22452050      1.09057806      0.44972621
  O      2.74408601      6.50123464      3.11215826
  H     -0.33910854      8.24893641      0.96822131
  H     -4.33688355      1.46892945     -0.53417423
  O     -3.87895905      0.70971741     -0.15107263
  H     -1.77185241      7.82327533      1.34404132
  H      1.81013777      6.60304776     -2.28479891
  O      1.74276725      7.40295787     -1.75215053
  H      2.51947895      2.22427811     -0.41418356
  H      0.86918755      7.77253497     -1.93457821
          69
 Energy    -249.47759716760652     
  O     -1.69783078      4.98915749      4.06639651
  H     -1.57809066      4.32106964      4.76636841
  H     -2.59685881     -2.41268618      3.34570595
  O     -2.56009331      3.30407537      1.96668965
  H     -2.03772336      5.77280083      4.48927748
  H      0.18299642      2.47876615      2.84418885
  O     -1.11145404      3.09255291      5.91678187
  H     -1.82247034      2.68982807      2.10999627
  H     -0.67377115      1.30108690      3.40274502
  O      1.29380016     -3.77164418      2.06036284
  H     -2.44352185      3.99425265      2.62829473
  H     -0.49576133     -0.12608993      4.86884756
  O      0.42599172      0.31734219      0.39034868
  H     -1.24515101      2.16667415      5.67211853
  H     -2.03214213      0.00300006      4.60664341
  O     -1.50524705     -1.34325168     -0.70427792
  H     -0.16198635      3.19084200      6.06233825
  H      0.66922829     -3.88794396      3.68196939
  O     -3.96948988      0.88047904      1.80793432
  H      0.54695024     -3.80190741      1.44909399
  H      0.47765708     -4.59508475      5.04709300
  O     -3.42493969      0.51277572     -0.95613440
  H      1.70707284     -2.90463686      1.94791562
  H     -1.57191594     -4.63894414      0.33849057
  O      0.83293042      2.71094100     -1.01531030
  H      0.67296844      1.01608448     -0.22631178
  H     -1.60712049     -3.60789076      1.49117027
  O      2.14354854     -1.08862682      1.99211312
  H      0.08474201      0.77287991      1.17627174
  H      2.09453261      2.54530233      5.65238403
  O     -3.47932966     -0.82702202      3.83537344
  H     -0.78809318     -0.80349867     -0.34195280
  H      2.30773028      3.77256394      6.57034096
  O     -2.16080081     -3.23456951      3.09113576
  H     -1.41370516     -2.21538805     -0.30513239
  H      3.40922983      1.81423864      1.99462831
  O     -0.37176204      1.73029283      2.59159687
  H     -3.86063777      0.68840807      0.86858075
  H      4.80349789      1.20220733      2.26105066
  O     -1.24846354      0.48155098      4.90618941
  H     -3.65443862      1.78601488      1.92508597
  H      0.76017231     -2.03989477      4.72244625
  O      0.24473994     -3.81155525      4.55714681
  H     -2.76534105     -0.20300243     -0.90318492
  H      1.32446149     -1.08772713      3.64352658
  O     -1.18928924     -3.81733460      0.63583444
  H     -4.02132866      0.28605043     -1.66423657
  H      3.16291446      1.08683620      4.19856560
  O      1.72550835      3.41047208      5.90842181
  H     -0.12947898      2.83676251     -0.92897161
  H      2.14109563      0.27525862      5.02569851
  O      3.87556854      1.09075469      2.45036207
  H      1.05949926      2.95551052     -1.90854277
  H      0.07781268      4.58767633      3.44749545
  O      0.97842174     -1.11652243      4.54747172
  H      2.85636808     -0.45386036      2.13146339
  H      1.28372717      3.97718470      4.19761807
  O      2.69757314      1.06401738      5.04402307
  H      1.54727642     -0.67411292      1.35091922
  H     -2.15889568      3.22113957      0.13815434
  O      0.92719815      4.14891977      3.31520178
  H     -3.66169863     -0.24092411      3.07866976
  H     -2.38402578      2.11035268     -0.89930276
  O     -1.85730993      2.89950826     -0.72152696
  H     -4.30632680     -0.93504417      4.29885470
  H      1.97713831      3.05328453      0.47806159
  O      2.53665706      3.13075078      1.25984863
  H     -1.45010101     -3.39220660      3.72413649
  H      2.03293007      3.63898490      1.90975584
          69
 Energy    -249.47709505902512     
  O     14.54443630     11.42098894     -8.67124551
  H     14.75414561     11.39003692     -7.74183718
  H     12.16774886     14.77174545    -12.86694208
  O     10.33364329     12.41961298    -14.34625271
  H     15.25852963     11.92194332     -9.10441876
  H     15.48023565     12.76838535    -16.95486999
  O     13.79758160      9.28037689    -10.41258475
  H     10.52064356     12.41453573    -15.29440488
  H     15.95025752     12.64398419    -18.42584474
  O     18.43484047     11.63559319    -14.17471118
  H     10.65467614     13.26163934    -13.99666692
  H     13.89409663     13.60883684    -12.39070506
  O     12.36050363     12.69087197     -9.97615304
  H     14.11479730      9.94302831     -9.78661513
  H     14.42561157     14.85985388    -11.68193481
  O     11.29380580     10.38255065    -11.00846852
  H     12.86847088      9.49546826    -10.56842090
  H     12.12051573     14.00907742    -16.43806925
  O     12.30847195     10.58529068    -13.56450655
  H     19.32952126     11.39060578    -14.39382323
  H     12.16601819     14.91671711    -15.19275996
  O     16.29003876     15.19633454    -11.50559012
  H     17.85075641     11.16353807    -14.79709060
  H     13.75630061     11.62720612    -13.39323273
  O      8.93298944     10.99756201    -12.36625955
  H     13.08153825     12.32430606     -9.44764378
  H     15.23135403     11.79067186    -12.89756826
  O     15.10070958     13.74036757    -15.55584726
  H     12.76353184     13.34781278    -10.55527403
  H     16.42986526     10.89659335    -16.54065458
  O     13.30062653     10.64764249    -17.08052731
  H     10.39647174     10.51040793    -11.34243614
  H     15.90619650      9.94102266    -15.44678344
  O     11.39047484     14.88241475    -13.43975861
  H     11.57949553     11.22792511    -10.62526467
  H     10.75930722     12.31353629    -17.81019849
  O     15.63147956     12.13918139    -17.68314877
  H     12.02437180     10.40708705    -12.65722230
  H     11.94801088     11.73506076    -17.01010813
  O     13.60865844     14.40271909    -11.90990833
  H     11.64134468     11.17352655    -13.93746858
  H     14.84420391      8.66871886    -11.63240031
  O     12.59895098     14.74601508    -16.03827648
  H     16.67045652     14.88704723    -12.34711464
  H     15.80495967      7.53413939    -12.05974135
  O     14.49210354     12.24811024    -13.31623992
  H     16.75898840     15.99338798    -11.27326190
  H     13.53106899      9.59497872    -14.42729082
  O     16.70665676     10.36006875    -15.78748642
  H      9.31202605     11.51065581    -13.09625789
  H     14.74298913      8.74845707    -14.04417711
  O     11.23028440     12.39279050    -16.98479782
  H      8.14314369     10.59070494    -12.71430084
  H     16.39270045     10.01762804    -12.21361967
  O     15.48163330      8.39314717    -12.31790426
  H     14.90720265     13.15736461    -14.80579574
  H     17.37203598     11.10079243    -12.78673361
  O     14.31346779      9.16283698    -14.80286662
  H     14.27953372     14.21059497    -15.75938078
  H     17.76335216     13.43613413    -13.95693767
  O     16.67299958     10.93830602    -12.13984848
  H     13.61361564     10.01585127    -16.42359248
  H     16.58568876     14.23909861    -14.53742878
  O     17.28301269     14.26736649    -13.86814472
  H     14.08488285     11.11408966    -17.39785502
  H     16.42821920     13.59682653    -10.45533076
  O     16.46475822     12.73260502    -10.03131967
  H     10.84682029     15.55280740    -13.03285827
  H     16.62707944     12.09045935    -10.73774084
          69
 Energy    -249.47674786044189     
  O     -3.70932429      8.30332784      6.91272301
  H     -4.09301902      7.80321781      6.18050656
  H     -0.26265358     12.03161089      3.31919549
  O     -6.05797820     10.61178570      1.77185968
  H     -4.36152253      8.97141525      7.15331051
  H     -2.26716119      9.14729525      6.29838101
  O     -1.56805977     12.31062534      6.82808154
  H     -6.23824258     10.28157602      2.66047367
  H     -1.07631150      9.29015761      5.27215094
  O     -5.88196028      9.69285931      4.51143611
  H     -6.15926802     11.57093050      1.81487373
  H     -4.51284143     13.16387546      6.18455572
  O     -6.08232822     13.44464343      2.10714458
  H     -1.49432100     11.36778582      6.62324169
  H     -4.79143732     12.09515647      7.26371080
  O     -2.69116555      7.67176882      2.92696422
  H     -2.50545994     12.50064249      6.96414069
  H      0.70705666      8.41028375      3.65081507
  O     -3.43138748     14.03511723      1.11120290
  H     -5.03994154     10.15486863      4.37163221
  H     -0.16431763      9.64909318      3.33448621
  O     -2.50720402     15.07242678      3.56284972
  H     -5.66473506      8.75101743      4.48219339
  H     -0.88629780     13.01611588      5.31905782
  O     -4.77523526      7.11084796      4.54799220
  H     -6.83155857     14.03329903      2.15574887
  H      0.02932850     14.17829238      4.87074393
  O     -3.41173534      9.91907283      1.49108118
  H     -5.65757840     13.45713436      2.98178345
  H     -0.73585358     13.63985670      7.82810968
  O     -1.81883577     11.97265914      0.42935779
  H     -1.79701044      7.90713673      3.19931534
  H      0.02901666     14.92871757      7.49070670
  O     -0.23355931     11.27399526      2.72067064
  H     -2.95800656      8.35987435      2.29994064
  H      1.17580154     16.45637964      5.63110767
  O     -1.63425349      9.76323847      5.89993203
  H     -4.36123017     13.86043708      1.29593081
  H     -0.35893276     16.29525095      5.69636572
  O     -4.31494218     12.91710739      7.10025800
  H     -3.08983847     14.51523016      1.87783370
  H     -6.53011229     10.26493807      7.67042287
  O     -0.17599562      8.75965758      3.73345999
  H     -1.80162460     14.45549392      3.80985740
  H     -5.91459779     10.19784868      6.25568791
  O     -0.49253713     13.43725100      4.53974483
  H     -2.42816883     15.82592348      4.15900806
  H     -2.40160387     17.85088519      5.72608253
  O     -0.48033661     14.50231703      8.18810820
  H     -4.01203807      7.26784556      3.96195672
  H     -2.49485208     16.43390460      6.34289236
  O      0.48113568     15.81228376      5.74578857
  H     -5.07224207      6.22149770      4.37718890
  H     -2.18793634     15.15688250      7.98667163
  O     -5.72276370     10.41455232      7.18306044
  H     -4.35273002     10.14492555      1.43222608
  H     -3.59260010     14.65158079      7.58377287
  O     -2.09063595     16.95575413      5.62388589
  H     -2.90437215     10.57371021      0.99756712
  H     -2.79453932     10.56075119      4.69201441
  O     -3.04161664     15.44090958      7.62507622
  H     -2.38837220     12.73406984      0.63817227
  H     -3.28981720     10.60955136      3.20756321
  O     -3.44865148     10.94825348      4.09834291
  H     -1.48115588     12.11614632     -0.45078344
  H     -4.14292836     12.53860134      4.26607178
  O     -4.56066643     13.40780134      4.38636994
  H     -0.71128648     11.53289962      1.92437159
  H     -3.89457488     14.06809837      4.15086824
          69
 Energy    -249.47660708195565     
  O     10.71928881     10.48400029    -12.47681733
  H     11.42672165     11.09817963    -12.69627106
  H     15.86972893      5.45118486    -17.69881310
  O     14.33243377      7.23138952    -15.04215462
  H     11.15209738      9.84632185    -11.88865840
  H     17.19290922      5.16791458    -13.95382428
  O     17.88464283     10.06089707    -10.56264866
  H     15.03166247      7.57863131    -14.46683690
  H     17.13390594      5.39068730    -15.48484315
  O     19.08516999      9.48743339    -16.29324493
  H     14.77028217      6.70049354    -15.71724667
  H     16.44059496     11.19855787    -15.84029644
  O     13.03708584      9.59562969    -15.53075402
  H     17.34528746     10.40841318    -11.29332446
  H     17.89722079     10.77853695    -15.57844209
  O     13.85106167      7.26996673     -9.38897767
  H     18.23856470     10.81735260    -10.10150347
  H     17.21838240      8.03681989    -13.79947146
  O     12.15074741      6.80747810    -13.40279855
  H     19.98486367      9.61614677    -16.58060690
  H     16.27643173      9.06668773    -13.12449110
  O     16.35452897     10.85434326    -12.66771265
  H     19.10987441      8.82620490    -15.57802432
  H     18.44018653      4.91885916    -10.05943603
  O     16.76167136      8.47671072    -17.55994187
  H     13.50602115      8.75250602    -15.42530959
  H     17.48640431      5.60432940    -11.06650692
  O     13.67770937      5.30262051    -11.48432639
  H     12.10555533      9.40423439    -15.37280670
  H      9.57248617      8.77431023    -14.98074742
  O     18.95400381      7.66209281    -14.32248065
  H     13.60041024      7.13542447     -8.47893053
  H     10.43618458      9.42672576    -13.87674936
  O     15.97165305      5.97371155    -16.90798386
  H     14.79581912      7.50614215     -9.38605222
  H     19.14536631      7.16017223    -11.17584887
  O     17.73922142      5.24682004    -14.74727181
  H     12.92067258      6.83972631    -13.99133022
  H     19.01347056      8.69064186    -11.28708205
  O     17.17599729     11.31517877    -15.22704962
  H     11.45850715      7.31496476    -13.84118169
  H     16.25853720      6.52398280    -12.60267094
  O     16.33040066      8.15666395    -13.43632801
  H     16.70772768     11.10680310    -13.53492617
  H     15.37038997      5.36757160    -12.06684521
  O     18.13483702      5.77048874    -10.35977909
  H     15.39477599     10.97088128    -12.70022340
  H     16.91357755      8.66170250     -9.74351614
  O     10.45856985      8.81160767    -14.63030378
  H     16.14265904      9.20985181    -17.46354708
  H     17.06827570      7.13404369     -9.60604506
  O     19.47372009      7.92845652    -11.65943654
  H     17.60587148      8.79854254    -17.21904173
  H     14.26682808     10.38494943    -16.55606374
  O     16.27176700      5.59331026    -12.33643676
  H     13.02688954      5.65230048    -12.10459689
  H     14.69459851     11.33594306    -17.69463955
  O     16.48030226      7.87133743     -9.40022181
  H     13.67715407      5.89940907    -10.72481176
  H     12.45991040      8.01735278    -12.05716083
  O     15.03232419     10.71407098    -17.05423398
  H     18.67943619      6.74910736    -14.49549619
  H     12.99834350      8.31093012    -10.63422148
  O     12.57624984      8.71743219    -11.39974004
  H     19.25631306      7.73440574    -13.40464056
  H     13.34504071     10.08340665    -12.38338005
  O     13.62716764     10.78664513    -12.98731433
  H     16.28773980      6.85214389    -17.18887273
  H     13.46688252     10.45373860    -13.87917028
          69
 Energy    -249.47655017903816     
  O     11.77845705      6.49182601    -11.72955082
  H     12.17459629      7.08054390    -11.07380640
  H     14.71214760      5.84006364    -15.16141518
  O     17.14128838     10.18213887    -15.10308309
  H     12.46351934      5.84174934    -11.93483247
  H     16.87147484      5.69669559    -13.93441868
  O     17.27177955      8.64933118    -12.81675182
  H     16.40404299      9.82941854    -15.62011122
  H     18.38342236      5.97987546    -14.09519009
  O     15.99210175     12.49831506    -14.01223695
  H     16.85304375     11.03626555    -14.75653775
  H     14.20394725      8.24700136    -11.82293460
  O     13.38570128      8.28837705    -10.21970963
  H     17.50305179      7.73966715    -13.04782082
  H     15.50831323      8.40647191    -12.68882579
  O     14.95703709      9.23373845    -16.63876604
  H     17.32609926      9.18736112    -13.61805492
  H     14.55799094      4.95541086    -13.27057447
  O     13.79360702     11.42296100    -15.47516422
  H     16.33007672     13.38870008    -13.96973389
  H     14.38532446      6.24200783    -12.46177362
  O     17.13587311      5.40838576    -17.05829203
  H     15.74188924     12.24993159    -13.10348794
  H     13.32188241      9.56143299    -13.17869699
  O     11.01024615      7.75047101    -14.01069326
  H     14.15727953      8.10794149     -9.66566475
  H     11.85220830      9.38196089    -13.59299833
  O     16.51635510      5.68294186    -10.83743451
  H     13.16215498      9.22529429    -10.15724061
  H     16.11317705      6.88614588     -9.63165763
  O     13.58903624      7.33181853    -15.15270296
  H     14.45922567      8.51717811    -16.22237032
  H     16.05973201      7.27896561     -8.13782030
  O     15.38273867      5.17361520    -14.96138810
  H     14.50799646     10.05596952    -16.39092827
  H     20.41305579      5.94223386    -15.70959666
  O     17.65835988      5.99393647    -13.45717963
  H     14.49239353     11.90884504    -15.01833406
  H     19.36432023      7.06260569    -15.91012783
  O     14.56664336      8.19050834    -12.71797880
  H     13.22346116     11.07178879    -14.78049386
  H     17.18946946      9.44783356    -11.17281865
  O     14.22929602      5.28812471    -12.42450965
  H     17.99440618      5.53976245    -16.63761279
  H     16.58653959      9.14459649     -9.79080744
  O     12.49617144     10.04685267    -13.31567003
  H     16.96527190      6.21266032    -17.56353511
  H     16.52690988      8.15334526    -19.24646094
  O     15.80301234      7.56834103     -9.00950085
  H     10.11480027      7.52357009    -14.24555690
  H     16.05289214      8.44633356    -17.80626810
  O     19.49548337      6.15942562    -15.56955575
  H     11.21610960      7.27274185    -13.18648302
  H     14.40007616     11.60819250    -11.16665326
  O     16.88784610      9.86603102    -10.35305527
  H     15.70137793      5.31527300    -11.20323757
  H     15.87252477     11.15336086    -11.05099331
  O     16.71550426      7.96590775    -18.33024323
  H     17.10978131      5.75112180    -11.59488466
  H     18.27627808      8.40879866    -17.31975113
  O     15.27874886     11.75263526    -11.52879611
  H     12.64065044      7.36743584    -14.98479692
  H     18.47442713      9.25245605    -16.05414755
  O     18.90682189      8.59280036    -16.61170151
  H     14.00060234      7.62598452    -14.32491235
  H     11.92133485     11.55731662    -10.43875016
  O     12.62195844     10.97253511    -10.71681635
  H     15.94894517      5.11925050    -15.74558312
  H     12.44569361     10.74204126    -11.64471119
          69
 Energy    -249.47651253678566     
  O     -0.98195783      3.71915911      5.56870708
  H     -0.68645583      3.75172995      4.64877979
  H     -1.01830858      3.50819067     -2.25124367
  O      0.66036580      1.09535227     -0.22407213
  H     -0.64994291      2.88157916      5.91525298
  H     -3.89100541      4.30674198      6.66594878
  O     -1.43542125     -1.25868706      2.57144652
  H      0.10655344      0.30245733     -0.23451762
  H     -2.70890400      3.81360463      5.80162827
  O     -4.08325617      2.51956536      1.55668538
  H      0.16497503      1.76018238     -0.71617546
  H     -1.28185606      4.02610517      1.47237570
  O     -1.28121872     -0.89296868     -0.15423901
  H     -2.33661080     -1.58920652      2.68553107
  H     -2.73659397      3.84737473      0.99955832
  O     -5.04297197     -0.87994360      5.15492195
  H     -1.28946988     -1.18925008      1.61662438
  H     -4.87475416      3.51524343      4.49555183
  O     -6.91237535      0.89821651      4.33755133
  H     -3.39992675      2.05983856      2.07373452
  H     -6.01062592      2.57290866      4.03556115
  O     -0.31001960      1.03724305      6.35994096
  H     -4.64033563      2.96649151      2.21304156
  H     -1.00386098      2.55333154      3.00529567
  O     -3.18114410      1.10411051     -0.76403317
  H     -1.99368178     -0.27526508     -0.36640549
  H      0.47741062      2.81724642      2.66015007
  O     -5.79345386      0.28023411      1.83464676
  H     -1.50815115     -1.75480336     -0.52985219
  H     -4.30123854     -2.54582268      1.92003600
  O     -4.66340912     -3.34749965      0.19121571
  H     -4.31302962     -0.32993268      5.47396157
  H     -4.66966765     -1.12060553      2.36380080
  O     -1.13877325      2.90968547     -1.51916348
  H     -4.69664204     -1.40300371      4.42218439
  H      2.73987030      1.74094571      2.03378331
  O     -3.66336886      3.70336078      5.96315829
  H     -7.75433163      0.74456281      4.75711198
  H      1.43043925      1.40550298      1.28238722
  O     -1.88224758      4.20722482      0.73561359
  H     -6.28911260      0.24653300      4.70697560
  H      0.00180408     -0.67135428      3.62208139
  O     -5.46432533      3.31867328      3.75719993
  H      0.21475358      0.73173807      7.09489435
  H      1.09692994      0.40849752      3.45848746
  O     -0.34966780      3.25956188      2.88644168
  H      0.05466129      0.61294106      5.56236849
  H     -3.36582146      1.86068579      6.01098169
  O     -4.16296840     -1.90325988      2.62526550
  H     -2.52986540      1.67617923     -1.19067396
  H     -2.14171063      0.90625693      6.13333138
  O      1.80539545      1.60133058      2.16049382
  H     -3.54819417      1.62340382     -0.03699536
  H     -5.64948575     -0.47264209      0.13908311
  O      0.63826698     -0.13371146      4.11193981
  H     -6.33237690      0.45510099      2.61560534
  H     -4.57042020     -0.23234783     -0.92381927
  O     -3.06366187      0.95742332      5.84657817
  H     -5.25534970      1.07097387      1.70036627
  H     -1.75390241     -4.27511247     -1.02538926
  O     -5.25946302     -0.85429637     -0.66010420
  H     -5.41430153     -3.91789987      0.04883106
  H     -2.98727584     -3.48023039     -0.56317006
  O     -2.10575838     -3.39095476     -0.95519137
  H     -4.89528622     -2.47989408     -0.18997726
  H     -2.61944672      1.20871710      4.07074617
  O     -2.29573158      1.29069963      3.16536684
  H     -1.36741197      3.45383921     -0.74362785
  H     -1.93879135      0.42848004      2.91595345
          69
 Energy    -249.47647554725040     
  O      0.73864250      0.14118993      3.11814575
  H     -0.13547791      0.13107937      2.69771505
  H     -4.04041866      0.56070325      4.23971244
  O     -2.95179455     -0.44066587     -3.16653658
  H      0.86580306      1.03122165      3.47050472
  H     -1.24549224      3.50463734      1.73700311
  O     -0.67010489     -1.36394807      5.05699934
  H     -2.22519388      0.10780941     -2.84185233
  H      0.12535428      3.32109460      2.41845554
  O     -4.62957176     -0.53188428     -0.97824489
  H     -2.61909701     -1.34505154     -3.11660466
  H     -3.58320450      0.78290034     -0.26651908
  O     -1.80348355     -3.00528581     -2.46719445
  H     -1.46934818     -0.83063734      5.10690880
  H     -2.14914872      1.27106240     -0.56891440
  O     -0.01594895     -1.83105057     -0.71348829
  H     -0.05992131     -0.88382673      4.47972909
  H     -2.20567783      0.41655870      1.42823355
  O     -3.14213347      3.07701882      2.18345147
  H     -4.21758770     -0.40658652     -1.84595684
  H     -2.39146682     -0.03769168      2.91289809
  O     -3.97368920     -2.59340153      4.15585164
  H     -4.31032557     -1.39037505     -0.67022378
  H     -3.13492822     -3.19348033     -1.08297268
  O      0.72903908      2.77402022      4.12230000
  H     -1.08813666     -2.62049892     -1.93268234
  H     -2.85912314     -3.00674874      0.41885498
  O     -0.82585957      0.73019684     -1.67411225
  H     -1.39575700     -3.64648579     -3.04427641
  H      1.59160181     -0.14751678      1.44425966
  O     -5.30010499      1.58417410      3.33551173
  H     -0.44901299     -2.23350121      0.05200952
  H      1.69574620      0.70423364      0.16758376
  O     -3.30424770      0.01087640      4.54144234
  H      0.74496557     -1.34582382     -0.35902296
  H     -2.31944594      1.64806386      4.84784887
  O     -0.29875452      3.47328296      1.56421043
  H     -3.95650558      2.74833330      2.58462657
  H     -2.29472481      2.78544830      3.81970781
  O     -2.88569896      1.37195919      0.04902125
  H     -3.07201598      2.58776254      1.34911020
  H      0.58328711      2.81337959      0.21246724
  O     -1.84069529     -0.13902137      2.12726834
  H     -4.49097753     -2.83960203      3.37989953
  H      1.64727199      3.09094538     -0.87400969
  O     -3.57468388     -3.07207419     -0.23357256
  H     -3.17932548     -3.14088024      4.14343438
  H     -1.04574729     -2.97422078      4.48471869
  O      1.80437950     -0.19382471      0.50289050
  H     -0.19245553      2.69036521      4.43008682
  H     -0.97678309     -4.51838343      4.56010060
  O     -1.89541121      2.49013267      4.65051599
  H      1.20288653      3.25968339      4.79152293
  H     -1.35732485     -3.24230396      2.29796743
  O      1.08812039      2.40745378     -0.51416804
  H     -0.13156226      1.34796224     -1.41120627
  H     -1.61557272     -1.82174500      1.72871637
  O     -1.36995925     -3.79748283      4.07626860
  H     -0.56231086     -0.13982835     -1.34418076
  H     -4.85830138     -3.21269013      1.02554117
  O     -1.47168403     -2.74896127      1.47845076
  H     -6.11021622      1.92622531      3.70497477
  H     -6.14227304     -3.80052515      1.64950183
  O     -5.46546508     -3.14008950      1.77970682
  H     -5.55398545      0.93002898      2.65938435
  H     -5.87219780     -1.24687782      1.71755442
  O     -5.91342938     -0.30808880      1.50300944
  H     -3.60240753     -0.91168253      4.48388798
  H     -5.63861540     -0.24997350      0.57854492
          69
 Energy    -249.47474041552078     
  O     16.45004527     11.41674806    -12.74714615
  H     17.06002384     10.70067375    -12.53410246
  H     12.69051496      8.02943427    -12.52960107
  O     18.39160132      7.92608785     -8.29447055
  H     16.32648120     11.90498757    -11.92485346
  H     13.04658266     12.14842848    -10.65808858
  O     15.12809601      5.32811858    -11.43391891
  H     17.92294324      8.74596376     -8.49519085
  H     12.99817676     11.78685880     -9.16101858
  O     11.95244257      6.21246555     -9.67838738
  H     18.91302358      7.72153815     -9.08117042
  H     14.89273031      7.99928373    -14.40363955
  O     17.79362678      5.04096009    -10.50764230
  H     14.26841550      5.07177084    -11.78710780
  H     14.70275120      8.01177523    -15.93795902
  O     17.15044971      5.57356723     -7.76071070
  H     14.96185560      5.63568060    -10.52952468
  H     18.94522199      6.33538022    -10.77075061
  O     17.82849132      9.09200619    -11.81538918
  H     12.81642510      6.10914820     -9.25777760
  H     20.40619782      6.78223419    -11.01808522
  O     16.09862763     12.64497905    -10.13966217
  H     12.01170958      5.73851658    -10.51556843
  H     14.60990407      7.13467446     -8.75276432
  O     16.92267331     10.09771230     -9.37283115
  H     17.59923069      5.06288707     -9.56184580
  H     15.41622901      5.87321570     -8.35357206
  O     13.74373955      9.00035512    -11.43356492
  H     16.93701638      5.00128323    -10.95087928
  H     11.65308191     10.87162868    -12.25564830
  O     10.61089898      8.55005808     -9.40806390
  H     17.48839215      5.19706694     -6.95287347
  H     12.95869820     11.36748298    -12.98670311
  O     12.24005668      7.57700825    -13.26175480
  H     17.58008634      6.44168735     -7.86851937
  H     10.82800148      8.79507163    -12.68562985
  O     13.44269331     12.35561264     -9.79706657
  H     17.13582517      8.55831667    -12.23202969
  H     10.46432388      9.19971716    -11.24767062
  O     14.27802437      8.24411601    -15.11608952
  H     18.52364091      8.47666968    -11.55337182
  H     11.64645298      9.77804296     -8.55284237
  O     19.53839029      7.10766451    -10.79493907
  H     16.34060564     13.55519713     -9.99260916
  H     11.83198422     10.57407065     -7.24185701
  O     14.62615881      6.16725972     -8.82225141
  H     15.13656869     12.58358534     -9.99824666
  H     12.30089543      5.90733166    -12.69197236
  O     12.46129424     11.39184850    -12.15410631
  H     16.72302140     11.03047356     -9.52414775
  H     11.88789537      4.41657017    -12.74326994
  O     10.41797607      9.49660884    -12.16452734
  H     17.22243366      9.74467529    -10.22384753
  H     14.18998143     10.16939360    -14.65350310
  O     12.24751640     10.37406618     -8.07742286
  H     13.96750413      8.96031277    -10.49745824
  H     14.99090891     11.19445699    -13.80990584
  O     12.41984262      5.04357556    -12.26031037
  H     13.40497630      9.88400788    -11.62777397
  H     13.86282324      9.47423832     -8.38642322
  O     14.14379791     11.04498910    -14.25874052
  H     11.10073758      7.71370051     -9.50442499
  H     15.35553421      9.37776649     -8.89208099
  O     14.53067003      8.88811360     -8.76024222
  H      9.72369386      8.31323457     -9.14659019
  H     15.58602225      6.80128406    -12.41912731
  O     15.68515845      7.67619781    -12.81674092
  H     12.75985064      7.78040685    -14.04908567
  H     15.05997585      8.25183226    -12.34603822
          69
 Energy    -249.47424735655088     
  O      2.18277166     -2.56164420    -10.50803967
  H      2.43398765     -3.05936387     -9.70961484
  H      0.89886857      3.67548146     -5.59717604
  O      0.84119338      0.83746879     -0.85964337
  H      2.18570923     -3.18263032    -11.23155282
  H      3.65378252      0.22443832     -9.60923397
  O     -1.42281472      1.38798935     -8.74651522
  H      0.62652419      0.85668630      0.06872786
  H      3.51720663     -1.21701772    -10.13683887
  O      2.44511543      0.65677623     -6.54839035
  H      1.06827856     -0.08380874     -1.08086480
  H      2.68851208     -2.61398538     -5.48193105
  O      3.23012774      1.62526073     -2.28318184
  H     -0.86127933      2.17174559     -8.78000983
  H      1.35358152     -3.20830903     -4.93120246
  O     -2.92279497      0.75376971     -6.58103161
  H     -0.92014559      0.68507419     -9.17737291
  H      0.43860665      1.84504619     -3.79462607
  O      4.16369785     -1.07684313     -2.75270982
  H      2.54005721      1.03928090     -7.42979343
  H     -0.05073786      1.30136509     -2.42997137
  O      1.93878846      2.51789683     -4.55399239
  H      1.68722310      0.05848225     -6.60870402
  H      3.91539448     -3.32243120     -8.07810211
  O      0.42908429     -1.22169185     -6.87836195
  H      2.47882383      1.47527526     -1.69582012
  H      2.62050485     -3.76732660     -7.37721540
  O      0.39844574     -0.60602688     -9.55152979
  H      3.62885935      0.75797081     -2.41973033
  H      0.40073059      3.76582267     -7.86250278
  O     -0.04309678     -2.84474309     -3.70102477
  H     -2.39271366      0.98410910     -7.36520939
  H      0.32172977      4.37638324     -9.28096443
  O      0.23131255      4.03903739     -6.19230408
  H     -3.82979887      0.70557320     -6.87167251
  H     -1.97676787     -0.25255282     -5.37001674
  O      4.13964675     -0.60119052     -9.72997366
  H      5.00930175     -1.38027120     -2.43074929
  H     -0.95307658      0.07388248     -4.24877731
  O      1.96078136     -3.22054424     -5.68131306
  H      4.18646325     -1.16135540     -3.71992568
  H      1.06010768     -2.08414089     -2.35073056
  O     -0.32322401      1.45359225     -3.34207240
  H      2.17894014      1.89415423     -5.25311876
  H      2.47966351     -1.53730079     -2.04914022
  O      3.06961686     -3.76230279     -8.23146613
  H      2.49745766      2.32453496     -3.78794621
  H      6.26316937     -2.22331292     -8.05948593
  O      0.45778841      3.55688612     -8.81347843
  H      0.91939962     -1.99437659     -6.56997959
  H      4.97557285     -1.47861547     -8.48416407
  O     -1.30717576     -0.64575279     -4.79446384
  H     -0.22281901     -1.00209535     -6.20059416
  H      3.53881829     -0.54483218     -5.81179815
  O      1.59007538     -1.63222813     -1.68436103
  H      0.89629845     -1.29752909    -10.00307329
  H      4.60325377     -1.59852211     -6.19737718
  O      5.35609840     -2.07015210     -7.80914316
  H      0.35065256     -0.87320127     -8.61960788
  H     -2.44395362      2.31747269     -5.51685543
  O      4.03161389     -1.30867459     -5.47518738
  H     -0.67196634     -3.51217124     -3.43502444
  H     -1.58819650      2.55443413     -4.26395651
  O     -2.06431575      3.01345677     -4.96858474
  H     -0.56030404     -2.10306809     -4.05694618
  H      1.76597610      2.27452429     -9.13167657
  O      2.27193913      1.45504220     -9.20473615
  H     -0.62428045      3.80482132     -5.80615719
  H      1.62274097      0.76269488     -9.40146519
          69
 Energy    -249.47405314694919     
  O     -2.48355955      4.40821013     -2.57972063
  H     -2.81367233      3.64348773     -2.07628389
  H     -1.43165339      0.66032109      3.24669505
  O      2.37833164      1.50956336      5.14946589
  H     -2.77969084      4.29003355     -3.47914936
  H     -2.70260173      7.40892177     -1.41676719
  O     -1.29572802      3.13177848      0.74196745
  H      1.82167827      2.24250834      4.83601716
  H     -2.36872227      5.90753417     -1.54918248
  O      0.43865286      4.09583012     -2.40415053
  H      2.66393783      1.74039006      6.02978827
  H     -2.89115224      1.40915008     -1.12336055
  O      0.28687955     -0.24333872      0.63418640
  H     -1.98957101      2.81521754      0.15027267
  H     -3.91292536      2.30733758     -0.35946534
  O      0.78295391      3.44760390      4.04764705
  H     -0.44919589      2.90160657      0.34002636
  H     -2.77880730     -0.42270891      0.03294270
  O      0.62458632      6.38912533     -0.88570137
  H     -0.51869809      4.06193350     -2.50318859
  H     -1.31745214     -0.30272337     -0.43684826
  O      3.74208095      1.19673192      2.65902400
  H      0.68543625      3.36300587     -1.82281075
  H     -3.34984262      4.75206581      2.65607030
  O      1.11283138     -0.88283298      4.17132402
  H     -0.26456219     -0.21620540      1.42784185
  H     -4.44293093      4.68260365      3.74583442
  O      2.27955010      6.23267503      1.21664544
  H      1.12194782     -0.64483698      0.90674024
  H     -1.50571991      2.58310365      2.40297648
  O     -2.11494018      5.59113028      1.62120671
  H     -0.07699867      3.02997585      3.90549318
  H     -2.48072755      2.92658706      3.54193292
  O     -1.27988797     -0.26588226      3.00809367
  H      0.64549704      4.39606636      3.90301599
  H     -4.17202521     -1.28838255      2.01652170
  O     -2.26613613      6.68416234     -0.97535912
  H      0.67622025      5.61761635     -1.47029016
  H     -2.85249984     -0.51978396      2.25000060
  O     -3.25707522      2.30549527     -1.07314899
  H     -0.30440056      6.63649876     -0.86832094
  H     -4.42314584      1.26148519      1.51961280
  O     -2.23096700     -0.19802055     -0.72996343
  H      3.43820131      1.27506755      3.57225608
  H     -4.52083302      2.75842784      1.92625664
  O     -3.90169717      4.14307332      3.17508142
  H      3.44771467      2.00741536      2.22345199
  H      2.47474349      4.40978861      1.49987555
  O     -1.68794315      2.41676682      3.34289987
  H      1.67876775     -1.11061611      3.42322889
  H      1.81920639      3.41580118      2.48604320
  O     -3.68377092     -0.51457567      1.74566213
  H      1.52893970     -0.12169101      4.59437380
  H      0.84050353      1.33947174     -0.09891103
  O     -4.71768844      2.13195849      1.22130834
  H      2.96735674      6.88498138      1.11724229
  H      1.62551080      2.63118312      0.29525093
  O      2.39299953      3.47083538      1.70965410
  H      1.69756306      6.31686008      0.43899398
  H      3.13418862     -0.31005734      2.02642373
  O      1.05065339      2.24089265     -0.37878133
  H     -1.73194913      4.75617418      1.30628977
  H      3.38145125     -1.75367366      1.52699710
  O      2.69373392     -1.14148960      1.77386790
  H     -2.26194613      6.11558042      0.82588237
  H      0.94482150      6.19613569      2.57114142
  O      0.25300300      5.99440456      3.21425278
  H     -0.50989922     -0.57065397      3.50949786
  H     -0.57607332      5.98366519      2.72042037
          69
 Energy    -249.47392258139880     
  O     17.44887079      7.54554997    -15.98326991
  H     16.65122700      7.35276221    -15.46287535
  H     17.44607088      9.16193567    -16.97166254
  O     14.70042865     10.58787837    -11.34870666
  H     17.77978055      6.70606212    -16.29454407
  H     14.51477303     10.26573267    -16.87869567
  O     17.52212131     15.67733001    -14.03460319
  H     15.18533514     11.42096517    -11.27068615
  H     13.98313120     10.32113076    -18.33257309
  O     15.29848481      7.29894304    -14.30640014
  H     14.02466674     10.72612640    -12.02558637
  H     18.36448082     14.32524098    -12.88627948
  O     13.12478807      8.75404645     -9.95557579
  H     18.03950196     16.47141568    -14.14258849
  H     18.89707468     12.87641124    -12.89614465
  O     14.70471660      6.61749285    -10.48664967
  H     17.57423389     15.19721543    -14.88062974
  H     13.75663618     13.42854499    -15.02958138
  O     16.26982918     11.65669438    -14.19889199
  H     14.47757738      6.90412311    -13.98020464
  H     13.76151551     14.18085241    -13.69674137
  O     12.76003443     10.92112890    -13.38619524
  H     15.72778214      7.68238189    -13.52623577
  H     18.31071321      8.38666523    -14.45081270
  O     16.32914328      8.39711295    -11.98525092
  H     12.40501586      8.73788380    -10.59834701
  H     17.91987957      8.70208896    -12.98969466
  O     19.05535130     11.51599040    -14.12943663
  H     13.70386355      9.47320059    -10.24735556
  H     13.58953623      6.41498988    -12.06745645
  O     14.51783699      9.78601680    -15.18746155
  H     14.80831125      6.02373480     -9.74819953
  H     12.46837487      7.23940658    -12.72641715
  O     17.45168771     10.00650148    -17.43843618
  H     14.13185671      7.34586644    -10.18466851
  H     14.78979150     16.15740357    -12.39558097
  O     14.68047098     10.63643653    -17.76390340
  H     16.06843535     12.07320390    -13.35268969
  H     15.87822424     15.48968906    -13.26388043
  O     18.60008549     13.58847814    -12.31081735
  H     17.23103525     11.57512864    -14.24047744
  H     18.19546586     13.57733977    -16.57144265
  O     13.28015398     13.50922500    -14.19278578
  H     12.81080200     11.86571075    -13.59233144
  H     16.70693259     13.98008122    -16.50198395
  O     18.59183589      8.86685947    -13.66412084
  H     13.26490576     10.46852683    -14.07708997
  H     15.58314012     13.76306235    -11.90770560
  O     13.09727457      6.52649026    -12.89119923
  H     15.94879968      7.71746126    -11.41399069
  H     16.98071532     13.11854715    -11.72996295
  O     15.03535903     15.33262551    -12.80840756
  H     15.84391475      9.21146116    -11.79000617
  H     15.56319122     12.60404102    -15.56993025
  O     17.60475892     14.30819222    -16.35503734
  H     19.26052730     11.64587797    -15.06288163
  H     14.92356881     12.35374745    -16.95691837
  O     16.02884739     12.94333492    -11.66607343
  H     19.02495385     10.56333449    -13.94905324
  H     10.46311483      8.88287823    -12.34664958
  O     15.11816087     13.04433013    -16.31294385
  H     14.72920220      8.88059679    -14.92866083
  H     11.79577107      9.59322187    -12.66383234
  O     11.40942697      8.79973644    -12.25736819
  H     15.19771110     10.36849518    -14.81163417
  H     18.58209149     11.27743848    -17.13255013
  O     19.20241802     11.99193348    -16.90028534
  H     16.53549236     10.20350289    -17.66517241
  H     19.92213493     11.94356628    -17.52383945
          69
 Energy    -249.47372500221906     
  O     17.10511808      8.96685360    -16.88552956
  H     17.29494172      9.35225448    -16.02043179
  H     16.63206380      2.21344928    -16.22892580
  O     13.90612802      3.41822455    -16.50115403
  H     16.26663012      8.49996592    -16.78481301
  H     19.93609662      4.24610551    -16.19226100
  O     17.65811193      5.56206033    -11.63463670
  H     14.58317977      2.75938995    -16.69691109
  H     19.10916383      3.51333866    -15.12452075
  O     19.52558277      4.79935951    -18.04712227
  H     13.98819511      4.08625909    -17.19197334
  H     18.52139112      7.80690104    -16.98032804
  O     16.97516041      4.05342496    -18.55781486
  H     18.55160412      5.47492776    -11.98740314
  H     19.34107310      6.49123653    -17.31537483
  O     13.23125750      7.04696172    -10.95431372
  H     17.26721870      6.33128499    -12.07884170
  H     17.91342598      6.25420438    -15.71362933
  O     13.93716884      4.38818599    -13.93505873
  H     18.61134066      4.53653728    -18.25552342
  H     17.01470751      6.39560619    -14.45722044
  O     16.52083922      7.54115137    -13.11090912
  H     20.05937766      4.54419848    -18.79488043
  H     13.64322546      3.42852150    -10.65523352
  O     17.29323229      3.14670453    -14.91314673
  H     16.17148947      4.58510805    -18.59093954
  H     14.11193766      2.35988575     -9.63732819
  O     12.45133868      4.33421021    -11.56343327
  H     16.72233877      3.21844542    -18.14386898
  H     15.69124764      6.64399473    -16.01155969
  O     19.94364612      8.03750350    -14.16328236
  H     12.88245733      7.64862406    -10.30195997
  H     14.39206082      7.32421284    -15.53212859
  O     16.20892206      1.81071419    -17.00845392
  H     14.03198888      6.65066867    -10.56693808
  H     20.12050750      4.92961674    -13.78882673
  O     19.94905458      3.97085451    -15.26899186
  H     13.88157919      4.01409792    -14.82597899
  H     20.99872710      5.18616300    -12.54768850
  O     19.20703490      7.19571770    -16.67085015
  H     14.72333396      4.03032366    -13.50491449
  H     15.61147293      3.09860349    -11.67746726
  O     17.14886926      5.87523193    -15.26080329
  H     15.57189451      7.50982714    -13.29189487
  H     16.68727401      4.11239121    -12.14657705
  O     14.42650950      3.04376935    -10.22158408
  H     16.87292435      8.38301687    -13.42590892
  H     15.11786090      4.80500512     -9.85600364
  O     14.93586250      7.17330854    -16.31426248
  H     17.19515360      4.09141752    -15.11504316
  H     16.25786276      5.72349174    -10.33002505
  O     20.17186395      5.43116132    -12.95679073
  H     16.94173781      3.02598272    -14.02124682
  H     14.58036113      6.15860823    -17.72206745
  O     16.13768687      3.36992451    -12.43874338
  H     12.52096660      5.26552646    -11.32149160
  H     13.95831733      5.86010531    -19.10493140
  O     15.39134485      5.72969469     -9.90537302
  H     12.79420162      4.27713909    -12.46713693
  H     13.51432293      7.25046027    -12.80640612
  O     14.49393849      5.48047579    -18.41292217
  H     19.85083927      7.75572964    -15.08677137
  H     13.85689825      6.16068602    -13.84266148
  O     13.84491461      7.12227814    -13.70423871
  H     20.05611411      7.22712036    -13.65524155
  H     18.08095368     10.61235081    -13.88713378
  O     17.84772071      9.73842414    -14.18797996
  H     16.39788319      0.87706976    -16.97659285
  H     18.65590891      9.19478726    -14.13004345
          69
 Energy    -249.47362437916041     
  O     -5.19754822      2.82415653      2.90163494
  H     -6.05659886      2.79221013      3.31274001
  H     -3.42452592      1.89468190     -1.23203577
  O     -2.61306892     -2.46166479      0.38949297
  H     -4.61447713      3.32900840      3.49700397
  H      0.30432616     -2.86326598     -1.60412894
  O     -0.59017561      2.98090724     -2.36367835
  H     -1.75242973     -2.58967389     -0.02679347
  H     -0.20126928     -1.44078748     -1.28021203
  O     -3.25943966      0.04567757     -0.63083370
  H     -2.42830506     -2.19486600      1.29836732
  H     -0.97467821      2.59681493      3.62369706
  O      1.71730089      0.10927791      3.84865404
  H     -0.04977954      3.48236173     -1.72832825
  H     -0.27615462      3.44322952      4.69929370
  O      0.94815409      4.34523514     -0.58646078
  H     -0.52341707      3.44010657     -3.19731025
  H     -3.25135127      5.59058016      1.68441814
  O     -0.94137817      2.52360730      1.83236324
  H     -3.34317853      0.47305712      0.23508304
  H     -3.12423521      7.03469398      2.22984093
  O     -0.81253087      0.11653516      5.24674809
  H     -3.20718864     -0.89889369     -0.42958468
  H     -2.50497377      1.68860022      1.82061455
  O     -1.83625441     -1.09331267      2.86537080
  H      0.93959868      0.08274375      4.41836639
  H     -3.99639069      1.59726248      2.27053375
  O      0.67976456     -1.51286741      1.75241560
  H      1.56267440     -0.57041696      3.18181304
  H     -2.58913909      3.75310290      4.54103212
  O      2.58421877      2.70404051      3.31450691
  H      0.57394509      4.79148613      0.18473580
  H     -3.12888810      4.97220068      3.75761606
  O     -3.27831623      2.84581817     -1.29447459
  H      1.74189798      3.89698650     -0.27077157
  H     -0.62925251      1.15634100     -2.05574438
  O     -0.01177238     -2.31101838     -0.89312132
  H     -0.72513637      3.45494607      1.69975274
  H     -1.61753762      0.20438566     -1.32731673
  O     -0.96697850      2.78037427      4.57643737
  H     -0.25202903      2.00126081      1.40455160
  H      1.68140227      3.97683756      3.97190682
  O     -2.74709468      6.16172382      2.29514348
  H     -0.96550385     -0.04332558      6.17485063
  H      1.61277776      5.22768151      4.88486972
  O     -3.26101503      1.08806383      1.91099817
  H     -0.91436311      1.07298945      5.10746183
  H     -3.86744478      3.93078666      0.02212895
  O     -3.39271383      4.24908600      4.34050204
  H     -2.39171434     -0.36980132      2.53899946
  H     -4.64198513      3.88539730      1.36502565
  O     -0.71074572      0.27677991     -1.66462217
  H     -1.55182944     -0.82075393      3.74619323
  H      0.92397973      0.11460212      1.00798189
  O      1.09026649      4.67816592      4.30799812
  H     -0.20624256     -1.41397962      2.13466463
  H      0.37597257      0.74720011     -0.29709967
  O     -4.15181109      4.46842411      0.77514177
  H      0.56506405     -1.94553498      0.89790008
  H      2.30061222      1.98796024      0.44667577
  O      0.91829866      0.92517466      0.48215203
  H      2.82934918      2.73850405      2.38359474
  H      3.76904936      2.29511083      0.06388846
  O      2.99690286      2.66840743      0.48171907
  H      2.33950299      1.78764818      3.51002466
  H     -1.03674557      5.63753275      1.98382966
  O     -0.18319916      5.21226457      1.82346671
  H     -2.38926049      2.95429048     -1.65075289
  H      0.27554961      5.14655564      2.67086166
          69
 Energy    -249.47342441804881     
  O     -2.45318387      3.77473563      1.56994265
  H     -1.93854200      3.05425715      1.95722618
  H     -3.08428852     -1.89870972      3.77909782
  O     -0.77245525      3.36328184     -1.87762080
  H     -2.82651258      3.44093443      0.74341180
  H     -4.08356237     -0.48668370     -0.97349722
  O     -0.81698788      1.71697868      2.60398417
  H     -0.45622172      3.77265733     -2.67894840
  H     -3.78425559      0.25378126      0.34771152
  O     -4.48837310     -2.95837022      0.90280143
  H     -0.49302030      3.93620800     -1.14094645
  H     -5.15221447      2.80243198     -0.28213268
  O     -2.13379230     -2.61725820      2.21070116
  H      0.04966171      2.10146283      2.42769879
  H     -6.25569320      3.34701623      0.68187778
  O     -4.58105482      0.72819744      1.87296057
  H     -0.91242008      0.96217892      2.00471644
  H      0.19714529      1.84563361     -1.08660504
  O     -6.77342801      4.67591190      1.83425350
  H     -5.08255631     -2.59733697      1.57855328
  H      0.18023588      0.58953395     -0.17448708
  O     -8.13290149      0.09558503      2.82597495
  H     -4.81854061     -2.61162823      0.06741938
  H     -3.70212301      4.58017002      2.62610607
  O     -3.08232068      1.24595669      4.10157318
  H     -2.94180967     -2.77489050      1.68900447
  H     -4.51067478      4.35845069      3.92902657
  O     -5.60030285     -1.51261061     -1.31604208
  H     -1.73156741     -3.47139422      2.34951386
  H     -3.36575296      1.83664578     -0.90164817
  O     -5.89778017     -1.57627866      2.81609915
  H     -5.10233396     -0.05308382      2.10254871
  H     -2.54994222      3.05957724     -1.37241541
  O     -3.67367424     -1.50435879      4.43411506
  H     -5.16173080      1.37934866      1.45871885
  H     -4.17324066      2.35687854      4.90629746
  O     -3.43544055      0.08235876     -0.54244827
  H     -5.92977053      4.85666203      2.28940751
  H     -4.74442297      3.04359606      6.16844452
  O     -5.94526329      2.56158517      0.21355065
  H     -7.21329675      5.51317448      1.71973759
  H      0.57288610      4.24552311      0.82724125
  O      0.75245805      1.27820130     -0.53865346
  H     -7.80872716      0.95954138      3.13695761
  H     -0.91827669      4.62985655      0.85163320
  O     -4.44623563      4.91709643      3.14531161
  H     -9.03090198      0.01376763      3.13582287
  H      1.39612436      2.22175271      0.78938197
  O     -3.36430275      2.80581903     -0.92062748
  H     -3.61543879      1.09233610      3.30362731
  H      2.51870657      2.70257867      1.74234326
  O     -4.84210251      2.98877020      5.22138368
  H     -2.18714041      1.42520581      3.78772095
  H     -7.17206538      3.25148692      3.04489955
  O     -0.09624067      4.76029306      0.35904432
  H     -6.01918527     -1.82504994     -2.11319962
  H     -6.42935302      2.62025181      4.23773795
  O      1.58534449      2.78021948      1.56594974
  H     -6.26096172     -0.97158121     -0.84722042
  H     -1.31048754     -1.19446381      1.31909265
  O     -7.17472206      2.49151956      3.63875759
  H     -5.28392153     -1.56146711      3.56662457
  H     -1.84690677     -0.26772623      0.21225213
  O     -1.09155463     -0.40952361      0.80143125
  H     -6.70881037     -1.10209865      3.03168340
  H     -7.67588100      0.04258793      0.90849586
  O     -7.31928247      0.13138077      0.01791313
  H     -3.39842825     -0.58132009      4.50523851
  H     -6.94821805      1.02386692     -0.03105269
          69
 Ord_Energy   -249.473114    
 O   -4.88500834       1.22939873      0.556195021    
 H   -4.25647926       1.79539800      0.115499832    
 H   -5.02701759      0.460133046      -2.65444107E-02
 O   -7.71531820       1.75819850      0.151819393    
 H   -6.78307629       1.71989882      0.394179195    
 H   -8.22172546       1.78248680      0.975791812    
 O   -6.60583448      -4.67588329       3.40207505    
 H   -7.26711607      -5.25762224       3.79607177    
 H   -6.85389233      -4.60274839       2.46879482    
 O   -7.49438763     -0.764422059       2.70302248    
 H   -7.99772453       6.00421503E-02   2.70724344    
 H   -6.55126333     -0.554130733       2.71006370    
 O   -5.21482420       1.21331632       5.25779629    
 H   -5.62830925      0.552065790       5.84324360    
 H   -4.59349394       1.70113587       5.79215431    
 O   -7.94772005       2.17249465       4.94154358    
 H   -8.35843468       1.73991144       5.70126200    
 H   -7.00909615       1.95883024       4.99137974    
 O   -8.68926239      -2.05573010      0.648283958    
 H   -8.63178539      -1.50774527     -0.142982185    
 H   -8.20060635      -1.60035169       1.35260868    
 O   -5.46023798     -0.900647223      -1.00187922    
 H   -5.29103851      -1.82960320     -0.805037320    
 H   -6.38211966     -0.830784976      -1.27751923    
 O   -9.09149170      0.675884902       7.07870817    
 H   -9.71662045      0.114907287       6.58650923    
 H   -9.54925537      0.972626507       7.86063957    
 O   -10.8383970      -2.67970490       2.25610566    
 H   -10.4779758      -2.93813396       3.11738062    
 H   -10.0973768      -2.46866179       1.66700459    
 O   -9.85663891      -5.43297434       1.71892226    
 H   -10.3738413      -4.62050390       1.73681474    
 H   -9.04486465      -5.22974205       1.23367238    
 O   -4.42814350      -3.02442980       2.35955477    
 H   -5.01240015      -3.55598998       2.91117239    
 H   -4.50042534      -2.10664940       2.65261221    
 O   -9.08755493       1.49377525       2.57094336    
 H   -9.93776226       1.06227195       2.71456504    
 H   -8.76716995       1.84350562       3.41805148    
 O   -11.4591532      -6.67060018E-02   2.94428635    
 H   -11.3186817     -0.978368759       2.63934207    
 H   -12.3468084      0.171740443       2.68653274    
 O   -8.22525215     -0.327255279      -1.48005557    
 H   -8.09712315      0.473899215     -0.938519776    
 H   -8.65424252      -5.33168614E-02  -2.28556252    
 O   -8.99998379      -6.04652834       4.22627115    
 H   -9.22280407      -6.93370581       4.49479914    
 H   -9.34809971      -5.92984915       3.32372236    
 O   -4.79857254     -0.253697067       2.91182852    
 H   -4.84539032      0.287704319       3.71148705    
 H   -4.71385622      0.336339802       2.14999461    
 O   -9.88803101      -3.40183973       4.81655121    
 H   -9.73693657      -4.35250854       4.77311182    
 H   -9.00758266      -3.00820374       4.91792297    
 O   -4.87323618      -3.58530617     -0.243855670    
 H   -4.64315319      -3.37774277      0.680859387    
 H   -4.13558435      -4.06724453     -0.608658850    
 O   -6.55793142     -0.573027611       6.76850080    
 H   -7.40916157     -0.183874369       7.00587273    
 H   -6.76525545      -1.32672858       6.19769669    
 O   -10.7908726     -0.852114081       5.62286568    
 H   -11.0774536     -0.502256215       4.77136374    
 H   -10.6120071      -1.78983414       5.47649813    
 O   -7.31716251      -2.43396521       4.85388470    
 H   -6.97635078      -3.23675919       4.43754244    
 H   -7.43292570      -1.79000008       4.13854885    
 O   -7.39287043      -4.45985603      0.701186359    
 H   -7.86129618      -3.61315131      0.632492125    
 H   -6.54801226      -4.32312775      0.257122993    
          69
 Energy    -249.47303357040866     
  O     12.09514385     10.92842441    -13.91883985
  H     12.32997699     10.33021520    -14.64126418
  H     13.89522468      6.02143783    -15.89797517
  O     15.75082526      6.41368953    -13.43929613
  H     12.74752966     11.63751586    -13.94611835
  H     19.66975330      7.70372137    -14.60315515
  O     17.69879441     10.03724278    -11.27096682
  H     16.59701504      6.67830583    -13.05127907
  H     20.07634860      8.70640344    -13.51055633
  O     17.82013102     10.21182037    -15.17481985
  H     15.13772317      6.37069529    -12.69405042
  H     15.39483085     11.31839993    -16.81606674
  O     12.10497423      6.53694185    -15.37437640
  H     16.88643626     10.44167808    -11.60886249
  H     16.57049197     11.42274686    -15.83337356
  O     16.31464010      8.87439873     -9.03641828
  H     17.69466914      9.10648860    -11.54765065
  H     16.24178547      9.35526113    -14.64814355
  O     14.34081340      6.56631588    -11.03318218
  H     18.24058586      9.50571532    -15.68342241
  H     15.52830908      8.10117106    -14.03525189
  O     15.27943391     10.88696599    -12.29395940
  H     18.43872091     10.44335518    -14.47180149
  H     11.62637642     10.01717107    -12.51521894
  O     16.46496306      7.70072356    -17.35534828
  H     12.07720641      6.59254533    -14.40225526
  H     10.52738265      9.73909468    -11.46290594
  O     16.85359028      6.26134130     -9.61033978
  H     11.34727682      6.02291026    -15.63980147
  H     12.74708730      6.56663795    -12.07642613
  O     18.94920695      7.95567346    -16.38752408
  H     16.88755273      9.40064245     -9.60801316
  H     11.75054343      7.70371204    -12.37532255
  O     14.84267963      5.90409648    -16.02685369
  H     15.41367450      9.06435509     -9.32990044
  H     20.28664329     11.26837275    -12.80654168
  O     20.00343280      7.76229818    -13.69861438
  H     14.21466677      7.50768833    -10.84142800
  H     19.04251131     10.47551961    -12.34265979
  O     15.77195614     11.88067392    -16.12883375
  H     15.11157642      6.29115208    -10.52391015
  H     17.85730373      6.82866988    -11.23464654
  O     15.41253780      9.02978834    -14.27431703
  H     14.95810357     11.67976899    -12.73669385
  H     18.72934004      7.31521285    -12.48766665
  O     11.39100816      9.45792894    -11.75307167
  H     15.27202939     10.19024946    -12.97072698
  H     14.18119834     10.00633013    -18.71591511
  O     12.04830559      6.83858237    -12.68346045
  H     15.88205106      7.03603446    -16.95800072
  H     14.00867524      9.63559009    -17.22488414
  O     19.67812242     10.58352184    -13.07084894
  H     15.90891194      8.44544010    -17.60382840
  H     14.37848200      9.90572341    -11.07213648
  O     17.88169142      7.37990068    -12.02399690
  H     16.69279242      7.17265838     -9.30504548
  H     12.97832528      9.35747012    -10.75699933
  O     14.65520307      9.92384396    -17.89212064
  H     17.07765792      5.74946045     -8.83785340
  H     14.20845626     13.76071701    -14.13267960
  O     13.90402663      9.29216878    -10.49226253
  H     19.56384330      7.83281670    -17.10643631
  H     14.78817203     12.50806614    -14.82781655
  O     14.26096012     12.81120218    -14.06670382
  H     18.06245684      7.78030121    -16.75415520
  H     13.92160097      9.07544521    -15.24760474
  O     13.11592540      9.10796996    -15.78925448
  H     15.22199622      5.91945601    -15.13670698
  H     12.70187830      8.23789505    -15.73091613
          69
 Energy    -249.47298334127876     
  O     16.55438903     10.23165043    -15.00519579
  H     17.37872577      9.72634210    -15.05729821
  H     14.08395124     12.20747210    -12.67754097
  O     15.00484958      7.27959054     -8.96015555
  H     15.84197750      9.63317347    -15.26584331
  H     13.26254330     11.27068993    -10.70720813
  O     16.85460848     12.90566699    -15.34653138
  H     15.26057395      8.19880176     -8.76105553
  H     12.62554375     11.65557821     -9.35374298
  O     12.69750584      8.28516480    -10.37207085
  H     15.07891606      6.78854812     -8.14694437
  H     15.82249334      5.41837303    -14.44672912
  O     14.65200227      8.31970217    -15.62778864
  H     16.76624640     13.14424101    -16.26533709
  H     16.54297227      4.13844912    -14.92350870
  O     18.77932609      8.63618307    -15.08931748
  H     16.71342328     11.94387277    -15.28839135
  H     15.72827307      7.14857167    -10.63971103
  O     20.58377570     10.38798517    -13.84646001
  H     12.77825553      9.21023228    -10.11363772
  H     15.86189965      8.17398677    -11.80390248
  O     18.23744201      6.76136870    -13.09386260
  H     13.38373527      7.82155670     -9.87850765
  H     16.87634027      6.38087514    -16.22480554
  O     12.18181937      7.60399774    -13.01066745
  H     14.55829352      7.66692988    -14.91959544
  H     17.65555031      7.69262177    -16.39025378
  O     15.39748281     13.35082426    -12.94869973
  H     15.34051945      7.96684655    -16.21120313
  H     17.70479563     12.25653911    -10.87184898
  O     12.63621960      9.99405459    -14.69578627
  H     19.49385104      9.20771080    -14.78144744
  H     17.90732503     13.73359089    -10.46255766
  O     13.48579593     11.48019679    -12.43850275
  H     18.61862149      7.99015057    -14.38528729
  H     16.11385896     10.02360377    -13.25097988
  O     13.24024468     11.04986283     -9.76069449
  H     20.07681752     11.21506566    -13.76143375
  H     14.92486581     10.34686983    -12.31390550
  O     16.65414277      5.08039139    -14.82105581
  H     21.49214591     10.63623575    -13.99581682
  H     18.69949450     12.87713535    -12.76188897
  O     16.01706120      7.25008532    -11.55389980
  H     17.90334243      6.06675350    -13.67348073
  H     18.41713223     12.82286960    -14.27206338
  O     16.90559322      7.19664290    -16.74171382
  H     17.51925957      6.92474760    -12.46312084
  H     16.95238916     10.32590100    -11.16056735
  O     17.67625436     13.17221924    -11.19825158
  H     12.29495558      7.82769035    -12.07345270
  H     18.39585284      9.96957987    -10.74940295
  O     15.75042474      9.85217103    -12.37278181
  H     12.15703854      8.43905963    -13.48628147
  H     13.58130741      6.60687463    -13.46469907
  O     19.09320659     12.63686594    -13.60945964
  H     15.82883028     13.32649954    -13.81167626
  H     15.00825042      6.57066837    -12.87760936
  O     17.64577718     10.53432491    -10.51552011
  H     16.11298872     13.35684812    -12.30101630
  H     20.01297717      9.39635332    -12.31315457
  O     14.48734028      6.31958349    -13.65422956
  H     13.31194393      9.43335312    -15.11008934
  H     19.28616701      8.07716685    -12.00332184
  O     19.58852671      8.89941946    -11.60230355
  H     11.97679330     10.15906488    -15.36645326
  H     16.38895328     10.16096641     -9.16982841
  O     15.61833182      9.89562721     -8.65110318
  H     13.13625491     11.07624877    -13.24168526
  H     14.86183785     10.38849723     -8.99385854
          69
 Energy    -249.47292956282629     
  O     -4.65582978     -1.09921693     -0.59958093
  H     -4.58580437     -1.99804044     -0.25532846
  H     -1.98923807     -2.22030611      1.62140794
  O     -2.05898592     -0.55282343      2.12896588
  H     -3.81082318     -0.88276263     -1.00961381
  H      1.37283166     -1.31012154      1.68500026
  O     -5.03442741     -2.71347586      3.14017380
  H     -1.43229847     -0.35025601      2.83683059
  H      1.06544261     -0.23314532      2.78245579
  O      2.45152800     -2.40719066      4.21239577
  H     -1.93878293      0.12845580      1.45500062
  H     -3.08403706     -3.15988380      5.77691603
  O     -4.51848567     -3.64281385      0.67374679
  H     -4.49367064     -3.10630327      3.84209951
  H     -2.50488692     -4.06777453      4.67621963
  O      0.80270171     -2.83419525      0.79373599
  H     -5.01730538     -1.76213673      3.27900001
  H     -3.90080876      0.29395456      4.97130268
  O     -2.42574772     -1.83951158      7.00759739
  H      1.71454303     -2.26759387      4.82177271
  H     -2.77390453      1.11138618      5.62989544
  O     -4.50763205      0.16065965      3.22213102
  H      2.42328745     -1.67696657      3.58278451
  H     -1.35023178     -0.58575443     -1.67436510
  O     -1.63533179      1.54564621      0.33621008
  H     -5.05991893     -4.40415003      0.48628310
  H     -2.31271180     -0.02475649     -2.74431818
  O      0.31038511     -1.01993807     -1.31830253
  H     -4.76691883     -3.33182481      1.56520754
  H      1.91241387      1.90015293     -0.02258534
  O     -0.15833591      0.14597721      4.00002169
  H      1.23795144     -3.52377085      1.30802116
  H      1.47069352      0.71720511      0.86947260
  O     -1.86626256     -3.14495778      1.35294557
  H     -0.14981702     -2.98274922      0.89886945
  H     -3.63863406      1.96666269      2.77787998
  O      1.71615881     -0.51589077      2.12044623
  H     -2.71283925     -1.84300259      7.91658940
  H     -2.53279131      2.40116135      1.79679597
  O     -3.33299817     -3.75100379      5.05674295
  H     -2.80019471     -1.03936940      6.59666904
  H      2.46126829     -5.32207808      2.83005820
  O     -3.37395212      0.37175709      5.77810605
  H     -3.68582843     -0.16428774      2.82227304
  H      2.14132434     -3.88761643      3.31604941
  O     -2.23106820     -0.19459382     -1.80879031
  H     -5.13694343      0.33168553      2.50370760
  H     -6.89462820      0.76012933      0.66590904
  O      1.19068556      1.29882165      0.14212063
  H     -0.67118407      1.57756089      0.27773937
  H     -5.57987679      0.00228672      0.39589445
  O     -2.93914050      2.61632553      2.64635643
  H     -1.94609434      1.09430291     -0.45967545
  H     -1.32750247      3.24246834      5.33552116
  O      1.81575743     -4.62353411      2.76719634
  H      0.71227279     -0.22186767     -0.95417153
  H     -2.00114609      2.56739540      4.11531789
  O     -6.03415146      0.58035170      1.03350369
  H      0.55398398     -1.73566910     -0.71733846
  H      0.02099499     -4.50915021      3.45278727
  O     -1.51814553      2.39473246      4.94392963
  H     -0.16111805     -0.58684027      4.63282103
  H     -1.26535239     -3.85257701      2.91057711
  O     -0.83831925     -4.16486076      3.72197524
  H     -0.52650346      0.93190722      4.42068312
  H     -0.36413073     -2.84590629      4.89354292
  O     -0.08982926     -2.14549263      5.50435363
  H     -2.72111123     -3.45398927      1.03318327
  H     -0.79950635     -2.05860162      6.15352319
          69
 Energy    -249.47243539338996     
  O    -10.09861514      1.45848143      3.12716808
  H    -10.34157802      2.36544502      2.89684438
  H    -11.42439407      4.23606060      2.51524700
  O     -6.09473113      1.02623801      5.90215528
  H    -10.48007029      1.25530543      3.99162639
  H    -10.49986500      0.11626632      5.85314164
  O     -7.14584824     -1.15049813      4.51987102
  H     -6.64010730      1.48381890      5.24209830
  H    -10.54506437      1.60606310      6.28994004
  O     -7.91393925      4.26328318      6.07947431
  H     -6.63840709      0.95710896      6.69988945
  H    -12.29013513      5.68543033      4.48256792
  O    -13.09810416      2.74390099      5.41119661
  H     -6.63326234     -0.51414622      5.03953570
  H    -10.86828740      6.17530490      4.81420154
  O     -7.66552150      2.40841932      4.08710276
  H     -6.91875342     -0.97491915      3.60186051
  H    -13.13777835      3.74565006      3.99146537
  O     -8.03338611      0.69440283      7.85239176
  H     -7.85916025      3.57646528      5.39542767
  H    -13.96931083      4.46016665      2.89955879
  O     -9.85788237      2.86014057      7.42273348
  H     -7.03645296      4.66220313      6.11254010
  H     -9.20908740      0.77390904      1.69916564
  O    -12.10862973      4.56998807      7.38481864
  H    -12.49272972      1.99388556      5.47610671
  H     -8.64918083      1.54630342      0.50315313
  O     -6.61185399      6.21514382      3.24310140
  H    -12.89094255      3.31021790      6.16535122
  H     -7.16365885     -0.08162875      1.46305740
  O     -4.65127458      1.70969494      2.03186363
  H     -8.47147557      1.98709116      3.76571178
  H     -6.21802678     -1.29530981      1.30570368
  O    -10.48539313      4.12055443      2.31976755
  H     -7.27840542      2.90143317      3.35285952
  H     -8.37187074      6.12294197      3.71382553
  O    -10.94781041      0.95691415      5.69421444
  H     -8.50098359     -0.02806884      7.41639715
  H     -8.87519748      5.29046551      4.89210040
  O    -11.76518680      6.11236722      5.16980910
  H     -8.66050128      1.42727246      7.89356467
  H     -7.23629507      3.62549236      1.19573631
  O    -13.09029630      4.38972396      3.26142208
  H    -10.61785877      3.44151007      7.54636206
  H     -5.86942555      3.09811521      1.76241807
  O     -8.60654546      0.69128124      0.94490318
  H     -9.15340787      3.40753498      7.04470451
  H     -8.59134794     -1.28009399      5.50936502
  O     -6.34578986     -0.48994476      1.80130166
  H    -11.95749288      5.18847212      6.64781598
  H     -9.47917538     -2.18509114      6.39239571
  O     -9.18246381      5.78637226      4.12096536
  H    -12.54978441      5.06320028      8.07128765
  H     -4.77588814      2.13816338      5.28181262
  O     -6.56724614      3.75514946      1.87945336
  H     -6.10492043      6.01234252      4.03896150
  H     -4.34672979      2.47551169      3.84572865
  O     -9.33105670     -1.27689221      6.14208017
  H     -6.52056609      5.43290220      2.68160935
  H     -9.06076205      3.93924638     -0.57684479
  O     -4.31653879      2.80496670      4.74933211
  H     -5.20313739      0.91201713      2.00135192
  H     -9.46185790      3.72638144      0.89985045
  O     -8.82646353      3.45946350      0.21368175
  H     -3.84835260      1.50471580      1.55791402
  H     -4.62543656      5.63008086      6.15112947
  O     -5.29028862      5.20837359      5.61300807
  H     -9.99723228      4.69921305      2.92408953
  H     -4.89935335      4.37651125      5.29252130
          69
 Energy    -249.47228801513549     
  O     16.01325386     11.61268270     -9.53473054
  H     16.17054698     12.03991350     -8.69670636
  H     14.19432344      7.90764175    -13.94247642
  O     12.62414320      6.00053141    -11.68121084
  H     16.59822853     10.83261970     -9.56825265
  H     15.14850989      5.40954507    -16.32936740
  O     17.48870238      9.90595380    -12.59177324
  H     13.15758872      6.43000235    -10.99672134
  H     14.40412220      6.20973909    -15.21915888
  O     17.54474308      9.09912989    -15.20267883
  H     13.20482016      5.35763159    -12.10371304
  H     17.47782205      7.31680239    -14.64783238
  O     16.29960116     12.44007489    -12.17799991
  H     17.65812474      9.67668578    -13.51614606
  H     16.59078766      6.04930752    -14.76656196
  O     14.35465654      7.39375956    -10.02374702
  H     17.16009252     10.81402868    -12.57358682
  H     14.93052639      8.01737716    -11.68146516
  O     14.95742403      9.75374440    -15.98820608
  H     18.06686660      9.02490276    -16.01000353
  H     15.91546056      8.92283309    -12.49667913
  O     14.29891521     11.67876498    -14.12102823
  H     16.64855735      9.35365206    -15.46811411
  H     13.18783345     10.17813201    -10.44831536
  O     15.71532996      5.70715019    -18.06326746
  H     16.13353508     12.22804331    -11.24542562
  H     14.37013745     10.61198723     -9.55729507
  O     11.27797556      7.82535542    -13.15214714
  H     16.70971449     13.30211862    -12.19290128
  H     14.42687499      3.28970232    -12.99970911
  O     16.87539900      5.49547089    -11.84686725
  H     14.09925698      8.28122193     -9.72817824
  H     14.64903824      4.56228692    -13.84457048
  O     13.62037897      7.69021485    -14.69666185
  H     15.21319097      7.17398634     -9.64505725
  H     13.64048478      9.62098703    -12.37629035
  O     14.94826169      5.42352485    -15.38570302
  H     14.74102313     10.52706901    -15.44724446
  H     12.12447937      9.46133595    -12.56780262
  O     17.45365846      6.36781771    -14.46655228
  H     14.40387753      9.03373268    -15.65539790
  H     17.03269879      6.26672189    -10.31206821
  O     15.06399873      8.47237388    -12.52291322
  H     13.62195219     11.27464580    -13.56189696
  H     17.44011441      6.13179042     -8.82567449
  O     13.61972141     10.00866441     -9.60015993
  H     14.95868058     12.02285369    -13.50877353
  H     18.26572631      5.91812461    -16.14433651
  O     14.51693610      4.23800572    -12.93834415
  H     15.72755511      6.67608100    -18.16692301
  H     17.57215298      5.68399724    -17.49682822
  O     12.79950812     10.10063655    -12.31103532
  H     15.39412610      5.34754434    -18.88574020
  H     17.74567189      9.53107741    -10.80940952
  O     17.03062042      6.72369627     -9.45069547
  H     11.69951643      7.14719829    -12.59159524
  H     17.46819433      8.53415778     -9.65927566
  O     18.42267901      5.90650123    -17.09815534
  H     10.34877144      7.61724087    -13.18474293
  H     16.88533542      8.57974658    -18.19931336
  O     17.60773423      9.46832727     -9.85328940
  H     16.07087415      5.02175847    -12.08671102
  H     15.51910821      8.96941061    -17.59664243
  O     15.93817262      8.40518588    -18.26028456
  H     17.23195324      5.83251733    -12.67899281
  H     19.55390110      8.73962425    -18.16044994
  O     18.75404606      8.54532908    -17.68027465
  H     12.71768335      7.72798973    -14.36036000
  H     18.74272263      7.58368659    -17.52503924
          69
 Energy    -249.47217169191435     
  O     11.77076361     10.94093953    -15.32442157
  H     11.31039437     10.46644850    -14.62199895
  H     15.48998593      6.22764560    -15.28787322
  O     15.21522054      6.76849467    -13.61850268
  H     12.19797265     11.70168041    -14.91256359
  H     17.90249588      7.85681388    -13.72836139
  O     16.89674219     10.40745582    -11.76520731
  H     16.03509584      7.04581066    -13.18782685
  H     17.42667053      8.76785052    -12.54629348
  O     17.19325377     11.12561666    -14.45893069
  H     14.51856030      6.70845001    -12.95416528
  H     15.41007879     12.36193715    -16.64554993
  O     13.10066535      6.80771499    -16.77535500
  H     16.91930556     10.20593037    -10.82203069
  H     16.12792571     12.41753018    -15.28806955
  O     14.04937854      8.74564225     -9.02446174
  H     15.98224281     10.66030272    -11.95919793
  H     15.07270631      8.44777703    -14.38250540
  O     13.10468648      6.68495135    -11.86585787
  H     17.35574942     11.08995317    -13.51038535
  H     14.50339108      9.42676191    -15.45804217
  O     14.26247080     10.95518580    -12.56323705
  H     16.48271040     10.48089521    -14.61571711
  H      9.54938718      9.22645272    -13.30578601
  O     17.86811618     10.02356081    -16.90529845
  H     12.74132097      6.16916748    -17.38623860
  H     10.85093444      8.50205254    -13.72428740
  O     14.58236232      5.97599232     -9.60001421
  H     14.04280938      6.58730194    -16.66453390
  H     17.38594351      7.12220042    -11.07429361
  O     18.20025445      7.64181125    -15.63255630
  H     13.39794564      9.01940977     -9.68271826
  H     17.04627509      7.81296948     -9.74260213
  O     15.69697607      6.25458523    -16.23607197
  H     14.11886969      7.78579585     -9.09989021
  H     12.16541123      6.92750004    -15.06980969
  O     17.62117708      7.85601236    -12.80482035
  H     13.52213780      6.30505298    -11.08252453
  H     12.13661263      6.72259466    -13.52737788
  O     15.42465149     12.83399849    -15.80487160
  H     12.87785961      7.59930390    -11.64193245
  H     16.88837720      9.94275758     -8.25259994
  O     15.03367795      9.37269140    -14.65463196
  H     13.92464832     11.77104803    -12.95139772
  H     15.69031413      9.35357422     -9.03496985
  O     10.49740227      9.32538303    -13.33975113
  H     14.44830686     10.36304295    -13.30981463
  H     14.71318746     10.51577092    -17.75590548
  O     17.04962054      6.95445422    -10.18511453
  H     17.84917014     10.53731739    -16.08469089
  H     15.26316549     11.27276287    -18.98567721
  O     11.63127365      7.05851773    -14.27892531
  H     17.10486033     10.32421289    -17.41201683
  H     11.66905321      9.39718248    -11.85793877
  O     16.63918245      9.56686892     -9.09251916
  H     14.65487164      5.21219045     -9.03430318
  H     13.09664455      9.94659049    -11.66488406
  O     15.44801210     11.06887546    -18.07229453
  H     15.49058068      6.24207334     -9.83099510
  H     14.04540494     13.03800782    -14.77852898
  O     12.44256612      9.34154021    -11.28373871
  H     19.02940778      7.26288898    -15.91566138
  H     13.06384666     13.97580326    -14.03564825
  O     13.29836651     13.05941393    -14.15269852
  H     18.09292286      8.46821442    -16.13442469
  H     13.22592476      8.64089089    -16.99251995
  O     13.45295224      9.57816042    -16.96211592
  H     16.55210353      6.69466822    -16.26787048
  H     12.77304306     10.05000855    -16.45391459
          69
 Ord_Energy   -249.471863    
 O    7.34317493       3.46973777       2.46988273    
 H    7.31280851       4.30274677       1.97517228    
 H    7.95329285       2.89833164       1.98843777    
 O    6.39735460       5.37414169      -1.58438337    
 H    5.66493082       4.73892069      -1.58624589    
 H    6.02964973       6.20620871      -1.90647554    
 O    1.75478709       4.69119978       3.95703173    
 H    1.97465277       5.60714960       4.16324568    
 H    2.48325348       4.14226818       4.27150917    
 O    4.28538990       3.54454923      -1.62547469    
 H    3.85042763       3.41206002     -0.770789564    
 H    4.68739700       2.70281434      -1.86967003    
 O    2.88434124       5.93515968      -2.23599601    
 H    2.15688920       5.99118853      -1.59968591    
 H    3.25115252       5.04621220      -2.16000938    
 O   0.567001998       3.94983649       1.63519382    
 H  -0.264345765       3.51995587       1.81578410    
 H   0.929540098       4.23510551       2.49348235    
 O    2.59819221       7.65680838       1.51083469    
 H    3.20257592       6.90044975       1.45028484    
 H    2.39453697       7.74281597       2.44880867    
 O   0.987483323       6.12474394     -0.221834734    
 H   0.747078121       5.39045191      0.353999496    
 H    1.39956963       6.78092098      0.355718523    
 O    5.81655884       1.23718452      -2.12812662    
 H    5.89319944      0.710647583      -2.91951585    
 H    6.60532951       1.80906749      -2.09155893    
 O    7.11947298       5.77120209       1.01754320    
 H    6.97060108       5.72962570       6.17949814E-02
 H    7.14202881       6.69243956       1.30361426    
 O    6.75654697       8.33744144       2.10915303    
 H    6.07377434       8.59137249       1.46036112    
 H    7.33982182       9.08515167       2.20584536    
 O    4.91728354       7.67836475      -2.27231288    
 H    4.89741039       8.17806625      -3.08403659    
 H    4.13145208       7.09912157      -2.28119302    
 O    4.98936081       1.94113564       2.41393065    
 H    5.78124809       2.50021672       2.40943527    
 H    4.33524179       2.34733415       1.82512057    
 O    3.88826966       2.92668843       4.75303316    
 H    3.72787285       2.23802781       5.39457464    
 H    4.23715353       2.48828650       3.95928049    
 O    4.43853998       5.57546520       1.77245426    
 H    4.57498741       5.91102505       2.66674471    
 H    5.30952740       5.60980892       1.35807419    
 O    7.90603399       2.94062424      -1.79383433    
 H    7.58204079       3.84860182      -1.74827528    
 H    8.30061340       2.72883916     -0.939021349    
 O    4.83422709       8.86489868      0.308519572    
 H    3.97282982       8.61747646      0.669953585    
 H    4.86701393       8.51276588     -0.589550555    
 O    6.46775913      0.379070669      0.528592527    
 H    6.10546160      0.574764490     -0.344674468    
 H    5.85576677      0.748341203       1.17769229    
 O    3.17895246       3.33050108      0.885661721    
 H    2.23134756       3.40028334       1.04982460    
 H    3.57701588       4.15036106       1.22163928    
 O    2.50754595       7.42826462       4.36640596    
 H    2.26876450       8.00754929       5.08535051    
 H    3.47856307       7.35910940       4.37108374    
 O    6.21095943       4.61444330       4.79554033    
 H    6.73147440       4.19566870       4.09707499    
 H    5.43822718       4.05040789       4.92193365    
 O    5.17932415       7.02238321       4.10132647    
 H    5.77686501       7.50884867       3.52088308    
 H    5.64474916       6.24349070       4.44588232    
 O    8.77179241       1.80549121      0.720500052    
 H    9.54454136       1.25285983      0.802082121    
 H    8.00354767       1.20883632      0.658047855    
          69
 Energy    -249.47151713948273     
  O     16.68336739     11.70138062    -15.66887657
  H     17.54295472     11.48719859    -15.29010688
  H     17.65867398      3.47550918    -15.18896661
  O     13.39311153      6.72414661    -15.33687675
  H     16.75435336     11.50327449    -16.61182030
  H     16.75102282      8.61463001    -14.47351666
  O     18.49058180      7.07025060    -11.73039145
  H     13.58497294      6.71365549    -14.38867294
  H     15.73729080      8.73651021    -15.65757794
  O     18.42898285      8.59256778    -18.61356209
  H     14.11054478      6.23945119    -15.76200287
  H     15.14976037     11.55878230    -14.83664103
  O     16.42190241      6.80954877    -19.07422644
  H     17.79805227      6.44833195    -12.00375424
  H     13.82841663     12.24529993    -14.41650823
  O     15.10543546      8.66778200     -9.65100052
  H     18.33488889      7.23504673    -10.79207063
  H     16.56633512      5.79588564     -9.39761356
  O     14.18211853      6.94365785    -12.65209307
  H     18.89488106      8.47816366    -17.77465386
  H     16.18954131      5.00361953    -10.66178093
  O     17.49677267      9.33763732    -12.93084033
  H     18.03356784      9.47239208    -18.57640789
  H     13.65055196      8.41502010    -15.87014730
  O     15.92776482      5.86507421    -16.47436455
  H     16.53803180      6.40320510    -19.92919964
  H     13.89458292      9.94761705    -15.56861115
  O     13.53071329      6.29037918     -9.98262608
  H     17.18660893      7.39797513    -18.93889682
  H     19.02798397      5.57719333    -14.46549507
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  H     18.16318225      9.88951904    -13.35589574
  H     16.94495960     11.69456428    -19.11643284
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  H     16.04177301      6.05857624    -17.41328014
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  H     20.06445921     11.20922326    -14.57989168
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  H     16.96495589      4.82000578    -15.51591456
  H     15.27984386      8.39056426    -18.95555655
          69
 Energy    -249.47139199988925     
  O     11.98230823      9.59842365    -13.02351995
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  H     15.07838939      5.10644728    -12.20413641
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  H     13.41769603      9.64450236    -11.88661730
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  H     14.69366792      9.02202757    -19.13621719
  H     17.66665710      6.41410352    -12.85566504
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  H     14.16928663      9.09021316    -17.68497778
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  H     17.37116741      4.29089782    -11.42327741
  H     18.32759090      9.11506912    -10.16924885
  O     17.91915218      7.20705333    -13.34319180
  H     16.79116074      5.63895037    -10.92877647
  H     12.36281450      8.80229191    -16.16307919
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  H     16.35920828     10.96553052    -15.43366768
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  H     12.66730555      7.26185058    -10.32362854
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  H     16.93805023      6.79047479    -16.82246879
  H     13.77994772      6.44559678    -11.02768628
          69
 Energy    -249.47114550321243     
  O     -0.82149813      4.26083026      3.18074199
  H     -1.15111294      3.71754276      2.44587564
  H      0.19753580      7.10903476     -3.23078236
  O      0.56953675     11.29991614      0.63853778
  H     -0.91867817      3.74110816      3.97478472
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  H     -0.37614169     11.36501002      0.45493488
  H     -1.24312554      2.49810357     -2.97463720
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  H      0.88770029     10.55929419      0.10418271
  H     -1.40921858      0.83911579     -1.52904686
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  H      1.19627281      1.82854420     -1.24575918
  O     -2.47149578      6.59642173     -0.15905605
  H      0.73115556     10.79252887      2.31039054
  H      0.96327506      2.71245222     -2.47688070
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  H      2.16172409      4.91395680      0.22457857
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  H      2.14640020      4.01103986     -1.07496538
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  H      1.04416384      8.65036214      2.47893594
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  H      2.75159576      6.97707546     -3.10360450
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  H     -2.98307707     11.63864566      0.38192797
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          69
 Energy    -249.47109074350482     
  O      2.25052262     -1.55867857      4.21559085
  H      2.14016986     -0.61154845      4.05424800
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          69
 Energy    -249.47092587924271     
  O     -5.42482404      3.73783983      1.28326465
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  O     -0.46825243     -2.67751050      0.70408149
  H      1.28437420      1.82648060      3.34637442
  H     -1.42163807     -2.73555532      0.56943712
          69
 Energy    -249.46957059968085     
  O      1.28876571     -2.21283938     -3.20353320
  H      1.35961798     -1.85284709     -4.08394508
  H     -0.96389744     -6.14227033     -1.89256205
  O     -0.59089165     -0.33167930      3.23801292
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  H     -0.97470414     -0.60702132      2.38433606
  H      0.01005979     -4.31127529      3.03849045
  O     -1.83154713     -7.37593534      2.11219648
  H     -1.22351657     -4.03770586     -0.54260169
  H     -0.74789047     -4.65380800      1.73481308
  O      1.84566124     -6.56667988      1.59559106
  H     -2.40768844     -4.63747813      0.25775383
  H      4.49107731     -4.52489039      1.62887902
  O     -1.49121815     -1.22551300      0.87907723
  H      4.90507091     -1.60052988      0.52997858
  H      3.69060960     -5.85775960      1.57735092
  O      2.74161426      0.63907610      0.04520529
  H      5.98407431     -0.75319678     -0.18104876
  H      1.12194264     -2.76549947      2.46319504
  O      0.64662296     -0.83601842     -0.82678151
  H     -1.34772590     -6.60921450      2.45085928
  H      0.28204655     -1.92270431      3.45974322
  O      1.74357499     -2.85020152      0.76512983
  H     -1.18347034     -7.88651228      1.61164450
  H      2.41162122     -2.14732545      4.10150315
  O      4.25662539     -2.65438924      1.83635933
  H      1.15768579     -6.02549282      2.00987097
  H      3.41632783     -1.81575404      5.22996109
  O     -1.26088319     -6.97616058     -1.50824187
  H      1.38981062     -7.33660061      1.22890096
  H     -0.28262417     -7.92831230     -0.38462679
  O      1.94568073     -5.19793111     -0.79115239
  H     -0.83106675     -0.98089425      0.21404635
  H      0.25829631     -9.32445713     -0.00294356
  O     -0.31711512     -5.04756056      2.50822260
  H     -1.68239246     -2.15935525      0.72797706
  H     -4.34511243     -6.41960784      0.31853883
  O      4.51860254     -5.43796185      1.31318235
  H      3.58200365      0.18371386     -0.07147953
  H     -2.95555753     -6.68258647      0.95029305
  O      0.85762857     -2.69728857      3.39538925
  H      2.57820685      0.67490803      1.00011319
  H      5.27718859     -5.84015839     -1.76882192
  O      3.26928049     -1.72953769      4.29175718
  H      1.35991425     -0.21443225     -0.60832680
  H      4.73397555     -5.30895877     -0.42029917
  O      0.16568249     -8.43141178      0.31845760
  H      0.81180758     -1.19288555     -1.70639979
  H      2.61255249     -0.12258163      3.32186966
  O     -3.41649610     -6.22869009      0.22194462
  H      1.80140680     -3.62672796      0.19620468
  H      1.20043710      0.32711080      2.91519822
  O      4.68136163     -5.20134717     -1.38724597
  H      1.36386400     -2.13313659      0.24052549
  H      0.52887570     -4.73828429     -1.65877820
  O      2.13759055      0.49804927      2.75937491
  H      4.10996697     -2.32632132      2.73168286
  H      0.07625457     -3.61989794     -2.60014568
  O     -0.25883140     -4.36215304     -2.08667445
  H      3.38200087     -2.68640436      1.41479094
  H      4.18792723     -3.48609972     -2.04705200
  O      3.81760275     -2.62121963     -2.25951120
  H     -2.08786961     -6.77225698     -1.05308537
  H      4.24024321     -2.00283898     -1.65109243
          69
 Energy    -249.46888362000394     
  O     17.94357419     10.83438142    -14.47087245
  H     17.24193372     11.49445233    -14.43848547
  H     16.32013100      6.60888050    -10.29169435
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  H     18.14331783     10.61325784    -13.55017696
  H     15.91101437     12.21805941    -10.82303665
  O     11.97832162      8.92520674    -13.88866289
  H     15.26531160      6.06523151    -12.59365428
  H     14.41673076     12.41870940    -11.19718844
  O     12.61793596     12.00472434    -10.71267842
  H     14.16956456      6.62270762    -11.64648273
  H     15.57472277      8.14958538    -12.01061005
  O     19.16403810      7.43302322    -11.49858413
  H     12.77989181      9.45066807    -14.03678258
  H     16.50146071      9.40864682    -12.02633450
  O     12.47795904      7.03630821    -15.82368127
  H     11.96850596      8.25622168    -14.58760521
  H     17.94055491      9.43072701    -15.47017982
  O     15.49613472      5.68819827    -14.34779204
  H     11.99043523     11.72151853    -11.39981499
  H     18.54855285      8.71281023    -16.69866640
  O     14.37777483     10.17109311    -14.29711145
  H     12.12901156     12.55764276    -10.10783206
  H     11.68572772      4.26728987    -11.45701356
  O     15.95497105      9.25975259     -8.55536123
  H     20.02395672      7.03241012    -11.40307971
  H     11.92518803      5.69782424    -11.96131346
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  H     18.80368946      7.12152107    -12.34881472
  H     17.31421420      6.16512562    -14.01501622
  O     13.63676500      9.43663240    -10.16488469
  H     13.36892384      7.33446317    -16.04942526
  H     18.13973781      7.32185495    -14.60322278
  O     16.99058965      6.94948271     -9.68409701
  H     12.57566331      6.12839294    -15.51382841
  H     10.03686717     11.33646329    -13.00657571
  O     15.32024850     12.59996254    -11.48269362
  H     15.36265739      6.49542154    -14.86670895
  H     11.15887560     10.29129655    -13.06395849
  O     15.59077837      9.10859367    -12.12658900
  H     14.72440431      5.13170608    -14.50791621
  H     12.25031156      7.87783864    -12.41159677
  O     17.92770185      8.60239224    -15.98375744
  H     14.82055456      9.79643175    -13.51752957
  H     12.72036894      8.02837692    -10.94772055
  O     11.80115171      4.78043062    -12.25321795
  H     14.72601682     11.06281583    -14.40004978
  H     17.58280314     11.92073792     -8.92023606
  O     18.11912085      6.68013516    -13.88235470
  H     16.34968179      8.42576404     -8.85242533
  H     16.74213252     10.64769959     -9.17994830
  O     10.85812976     11.08424906    -12.59200673
  H     15.05376764      9.26621673     -8.90022043
  H     14.87840235      8.79829139    -15.38565281
  O     12.44448003      7.37732477    -11.60638877
  H     12.68829506      3.61627720    -15.08441371
  H     16.10530015      8.17354864    -16.07142067
  O     17.16707499     11.41202340     -9.61096423
  H     12.54950182      4.50846644    -13.82933421
  H     15.61408509     12.65462765    -13.18913957
  O     15.17442460      8.01482543    -15.87100648
  H     14.34746709      9.40769535    -10.82520137
  H     15.63815586     13.51669559    -14.47349585
  O     15.73237596     12.62301353    -14.15611546
  H     13.23138973     10.30800223    -10.24255177
  H     18.00865275     10.52012557    -11.00502324
  O     18.21852344     10.04363863    -11.81854854
  H     17.78682191      7.05710342    -10.21696378
  H     18.64224841      9.20448985    -11.59400906
          69
 Energy    -249.46884991138762     
  O     10.47177643      2.47323725    -21.73397511
  H     10.60894527      1.77347266    -21.07447060
  H      7.92711679     -2.40188422    -21.96558837
  O     11.67438682      4.58306236    -20.41647830
  H     10.89326116      3.26472016    -21.37088419
  H      9.85218908     -1.10695027    -17.16900342
  O     10.94236161      0.72353892    -19.72975073
  H     12.29241178      4.17360941    -19.79686006
  H     10.76821903     -1.90556278    -18.10741430
  O     12.99527922      0.06036594    -16.83729242
  H     12.21395662      4.94057509    -21.13729124
  H     13.72287822      2.42221871    -19.07566399
  O     13.66417280      0.70455281    -19.53053436
  H     10.78651805     -0.22889847    -19.71809077
  H     13.30300240      3.28097498    -17.86563055
  O     13.74711324      3.16982747    -24.41499530
  H     10.61176850      1.11103953    -18.90921578
  H     11.42063180      1.71650836    -23.03495286
  O      8.26929271      0.04961957    -17.32430123
  H     12.23312439     -0.53377510    -16.90192703
  H     11.54462577      0.35089492    -23.75617318
  O     10.79767277     -2.06935709    -19.97405627
  H     13.39698625      0.09510287    -17.71397320
  H     13.45349901     -1.56085240    -21.93972540
  O     10.83363436     -1.27979577    -23.49378993
  H     13.97294706      0.46137476    -20.41018198
  H     13.52169219     -3.10296319    -21.96133037
  O      7.56434072      0.09125003    -20.10612380
  H     12.69550347      0.71126238    -19.58994605
  H     14.91037387      3.99779064    -19.86756208
  O     13.48840819      5.18651606    -22.38146138
  H     13.77949552      3.27691410    -25.36250859
  H     16.22919790      4.74959500    -20.14425012
  O      8.62306684     -1.79575517    -21.72470945
  H     13.10081942      2.46627237    -24.23752074
  H      9.70421394      2.93152536    -17.94416158
  O     10.72130690     -1.51958862    -17.22227391
  H      8.83320367      0.84136410    -17.27664270
  H     10.80155520      2.35600236    -16.98724592
  O     13.62807963      3.33863486    -18.77129198
  H      7.65007696      0.11067844    -16.60077109
  H     12.71856697      1.68841308    -16.38002905
  O     11.97889569      1.20848537    -23.64161616
  H     10.02453063     -2.11221299    -20.55223997
  H     12.70666407      2.85675173    -15.36030578
  O     12.92741398     -2.36957090    -21.82239523
  H     11.57240503     -2.22940924    -20.52783984
  H     13.37019007      0.44795583    -22.67558829
  O     15.52269994      4.26961923    -20.57000983
  H     11.51269782     -1.78415803    -23.02970459
  H     14.85320983      0.69953144    -22.33488061
  O     10.00219581      2.13479561    -17.47821183
  H     10.02587168     -1.39565263    -22.97871619
  H      7.29374048      3.15425869    -21.75598866
  O     12.49962745      2.63281839    -16.26322425
  H      7.58078876      1.02037865    -20.36517552
  H      8.72634610      2.67281363    -21.42996293
  O     14.12956837      0.06784074    -22.21206001
  H      7.74976113      0.05901069    -19.15984192
  H     15.77358000      2.87998997    -21.88476386
  O      7.83166510      2.77785387    -21.06334310
  H     13.53146754      4.57973196    -23.13030645
  H     15.19767329      2.60347016    -23.28535951
  O     15.75690913      2.22605696    -22.59367040
  H     14.26189708      4.98717799    -21.83852351
  H     10.02657899      4.53532497    -19.48830289
  O      9.23715053      4.25111433    -19.00691772
  H      8.21029160     -1.10272658    -21.17888954
  H      8.64003948      3.87245468    -19.66308921
          69
 Energy    -249.46829415150492     
  O     16.79450170      9.77045220    -15.67574574
  H     16.27640017      9.19089699    -16.22907627
  H     16.38508576     12.89265569    -15.21652884
  O     17.97910073     13.71281359    -15.56749426
  H     16.76489068      9.39215131    -14.77810658
  H     18.01104536     10.55732910     -8.20429500
  O     21.42938374      9.42434098    -14.87274408
  H     18.64542278     13.57088987    -16.25022223
  H     18.96072243     10.52084773     -9.42367131
  O     19.37690047     13.43527843     -9.78183828
  H     18.29165820     14.44456932    -15.01917817
  H     20.70583088     16.74299694    -11.28010051
  O     15.15210178     12.93837515    -12.31039650
  H     22.25357600      8.98434448    -15.06326660
  H     20.54762124     18.15425948    -11.89660193
  O     20.36354390      9.88933826    -10.24314405
  H     21.65223318     10.26826225    -14.44089781
  H     20.89079585     12.71050647    -10.55540242
  O     16.20540046     10.53845166    -11.10982396
  H     18.77763104     13.66338221    -10.50820535
  H     22.39971718     12.97546145    -10.77602660
  O     19.40856639     10.54449970    -16.55871937
  H     18.97837618     12.66762590     -9.35362283
  H     17.71646849      8.62606979    -12.99646109
  O     21.38943658     14.23490295    -14.92543629
  H     15.28925795     12.68313943    -13.24124077
  H     16.47605154      9.34165318    -12.44331902
  O     20.99083395     15.73579894     -9.88811162
  H     14.24460514     13.21853476    -12.23254189
  H     20.31029458     13.12158971    -18.14244688
  O     21.73548490     11.83004453    -13.62548811
  H     20.98873671     10.59955037    -10.43199456
  H     19.93152739     12.12083138    -17.02321910
  O     15.70588376     12.29147198    -14.87973597
  H     20.10065432      9.52514727    -11.09988443
  H     22.20643300     16.36234610    -12.81197670
  O     18.20415395     10.99273942     -9.03070739
  H     16.83318056     10.75818938    -10.41277254
  H     22.54933659     15.23593604    -13.80362908
  O     20.63826514     17.23207231    -12.12037395
  H     15.82401354     11.36878888    -11.41727914
  H     19.60192108     16.15016146    -13.21258766
  O     21.70061595     12.32507601    -10.91927023
  H     20.05356357     10.05523229    -16.03389036
  H     18.66066107     14.93395997    -13.03064108
  O     16.77808236      8.77498762    -13.16886939
  H     18.53284324     10.26632498    -16.26242778
  H     23.33938738     14.91414898    -11.56631145
  O     20.17904685     13.04709896    -17.20114031
  H     20.61916437     14.63654968    -14.49592810
  H     24.36049701     14.64689868    -10.43371747
  O     22.89709354     15.73107647    -13.05144390
  H     21.08832114     13.89497172    -15.77714931
  H     20.17183481      9.04681531    -13.49588655
  O     19.17061225     15.42991573    -13.68839467
  H     21.86731596     15.34629232     -9.99407174
  H     19.11405263     10.05235919    -12.99913565
  O     23.45756017     14.49154032    -10.69666456
  H     20.39172900     15.00004225     -9.70358349
  H     19.88039060     11.88540524    -13.58042850
  O     19.50524109      9.18425377    -12.81333500
  H     21.78902507     11.98049413    -12.67062692
  H     18.56080541     12.25131152    -14.31027866
  O     18.91715393     11.84234563    -13.51303458
  H     21.75261476     12.68877833    -14.06948319
  H     16.81623698     13.64689136    -11.99540699
  O     17.77127142     13.78070071    -11.96588957
  H     15.98254001     11.41039904    -15.15784527
  H     18.16434689     13.01147826    -12.40948680
          69
 Energy    -249.46821003046810     
  O     20.93547795     11.89417839    -18.19565800
  H     21.65369616     11.53040252    -18.70703273
  H     19.39387362     16.95347163    -17.83555548
  O     18.03509315     17.19174915    -14.84668388
  H     21.25487924     12.73813533    -17.83023774
  H     14.93555405     12.23183379    -13.78758738
  O     22.10743463     14.75054058    -14.36250019
  H     17.93770662     17.69218256    -15.66462201
  H     15.43150991     10.92189314    -13.14111231
  O     15.73741480     13.97018897    -13.85709606
  H     18.25276517     16.28717860    -15.12150226
  H     19.69384589     16.94661734    -13.80664582
  O     16.85949757     11.53806827    -17.25278781
  H     22.94674294     14.86423454    -13.92499170
  H     19.76652833     16.07475223    -12.55286512
  O     16.99361518     10.19663029    -12.27628418
  H     21.50021042     15.40548529    -13.97237093
  H     18.67544372     12.81385176    -13.12590814
  O     15.19614056      9.71660016    -15.95563815
  H     15.69678457     14.87267933    -13.51877961
  H     17.66291577     11.91529602    -12.34816627
  O     21.76912677     14.28331369    -17.19156880
  H     16.50851856     13.56444293    -13.43194172
  H     16.88543688      9.16672696    -15.17484549
  O     16.14220463     16.61116556    -12.94092372
  H     17.70662249     11.34482607    -16.82561820
  H     18.36189564      9.62306697    -15.17388848
  O     19.93909993     12.97884779    -14.37892880
  H     16.23260568     10.87490462    -16.93878851
  H     15.88610094     15.42527951    -17.71404429
  O     18.40521215     12.48184415    -19.43383320
  H     17.04204794      9.54607423    -11.58134952
  H     15.05469148     16.25489466    -18.71480387
  O     19.84916051     16.13683973    -18.06097376
  H     17.30900478      9.76526334    -13.09080780
  H     17.67759894     18.90236696    -18.02134470
  O     14.79148863     11.27777294    -13.77097062
  H     14.43068997      9.18126845    -16.14464158
  H     17.11751325     17.47926392    -17.80708949
  O     20.31293540     16.45612995    -13.25633470
  H     14.96631660     10.28305595    -15.19679414
  H     17.59842925     15.85309576    -11.82250773
  O     17.90282105     12.82904753    -12.54236586
  H     21.93094579     14.47850652    -16.26114249
  H     18.25315689     14.47125757    -11.71661516
  O     17.70369508      9.13139755    -14.66437561
  H     21.26276969     15.02613728    -17.54676898
  H     19.92193272     11.09673553    -16.85353482
  O     15.92259791     16.18116018    -18.32494881
  H     15.67819161     17.38821607    -12.64015542
  H     19.58376270     11.56139268    -15.42531675
  O     17.78162034     18.11432112    -17.49332101
  H     16.78426316     16.90734555    -13.60861726
  H     19.07828291     15.09050293    -16.74233949
  O     18.39909439     15.40739271    -11.52454341
  H     19.44969708     13.59509322    -14.94936830
  H     17.72552263     14.46058992    -16.27260728
  O     19.33694025     10.91904816    -16.10622663
  H     20.79622774     13.39565782    -14.23854514
  H     17.32057814     15.43834310    -19.55332689
  O     18.60478819     14.73060541    -15.98086491
  H     19.28336521     12.27351013    -19.09243892
  H     18.20364884     14.20169745    -19.85754306
  O     18.15653842     15.16731812    -19.94460718
  H     17.77983685     12.09030681    -18.81200023
  H     15.79701159     14.02966013    -15.66402740
  O     15.98404509     14.05495027    -16.61343769
  H     19.36984970     15.77590486    -18.82553777
  H     16.21172532     13.15609421    -16.89370582
          69
 Energy    -249.46814160994842     
  O     13.20707251     11.06186164    -16.45661411
  H     13.35496785     11.94606085    -16.10173083
  H     18.53410389     10.89338586    -12.89279443
  O     15.54378791      7.91602895    -12.98136812
  H     12.43181469     10.68956318    -16.00800776
  H     17.82102416     10.02929614    -16.21008373
  O     15.91746969     11.82120055    -10.93306296
  H     15.38225547      8.65197056    -13.59344193
  H     16.54209978     10.32447955    -17.06872318
  O     16.75952155     13.05843536    -14.99680400
  H     16.05154648      8.27238902    -12.24128201
  H     15.90764900     10.24673482    -15.12399468
  O     12.07551082      9.97646687     -9.47714763
  H     15.17226401     11.83828213    -11.55248284
  H     14.37800740     10.21890941    -15.26955889
  O     12.93823829      7.34169690    -12.51234885
  H     16.66532503     12.21598810    -11.39886373
  H     11.54405486      8.84169881    -15.09640067
  O     13.93814786     11.70178556    -12.83142659
  H     16.95348677     12.32532215    -15.59870355
  H     11.34542692      9.93603550    -14.02779488
  O     16.70517749      6.88999106    -15.29047342
  H     15.82306198     13.25961522    -15.09707437
  H     14.54615045      7.86444929     -9.11059786
  O     12.85139998      7.21632721     -9.74656445
  H     12.86417767     10.42184195     -9.14457586
  H     15.08079887      9.22156285     -8.61795912
  O     18.88249323      8.73111572    -15.38160464
  H     12.26771166      9.03107137     -9.42956107
  H     13.02641514      7.04067513    -15.80626994
  O     14.51443521      6.96472476    -16.86318345
  H     13.89315522      7.48228008    -12.61840623
  H     11.62307997      6.42183686    -15.64518364
  O     18.68042093      9.94388316    -12.97457135
  H     12.60617967      7.11712233    -13.38855522
  H     17.54200795     12.87524203    -13.47136066
  O     17.15609399     10.69704925    -16.41701800
  H     13.16309916     11.18690581    -12.56848527
  H     18.65039081     13.38331005    -12.51997829
  O     15.09508103     10.02921127    -14.65016416
  H     14.44977216     11.13045493    -13.42616225
  H     16.58597891     10.07310030    -10.94244510
  O     11.31251433      9.77086325    -14.97899203
  H     16.36977811      7.07301771    -14.40163723
  H     16.50567217      8.74272708    -10.16418799
  O     15.35214336      8.32252680     -8.84349299
  H     17.48992099      7.44157253    -15.39125638
  H     15.08347663     11.42480857     -9.38015427
  O     12.23070829      7.04440135    -15.25106547
  H     12.83851694      7.17106407    -10.71626934
  H     14.74743718     11.69969567     -7.89927705
  O     17.98154206     12.71054401    -12.61736918
  H     12.42684850      6.42190694     -9.43136682
  H     14.89626377      8.73245442    -17.62175162
  O     16.91443295      9.16411551    -10.93401466
  H     18.84783948      9.14191598    -14.49816239
  H     14.37890372     10.17941774    -17.61189689
  O     14.58554646     11.09120499     -8.61640086
  H     19.79756684      8.52432205    -15.55181296
  H     12.25604076      9.07547460    -12.33505660
  O     15.10634867      9.62258285    -17.92540011
  H     15.31775879      6.92388598    -16.31300844
  H     11.80680377     10.08106324    -11.25507128
  O     11.89278677      9.96291206    -12.21227002
  H     14.63953629      6.33336512    -17.56815070
  H     13.40366391     14.24182448    -14.85705988
  O     13.88245037     13.42578052    -14.98056707
  H     18.21542860      9.54337209    -12.22858272
  H     13.82034676     12.93467128    -14.14396129
          69
 Energy    -249.46808655124676     
  O     12.46703947      9.79318335    -16.22222721
  H     13.09039548     10.52676736    -16.25187021
  H     16.24840445      5.55002333    -13.82021663
  O     15.75913288      6.59442892    -12.34146602
  H     12.97070412      9.01696790    -16.50998964
  H     20.23601099      8.94892205    -12.34597171
  O     15.88613847     11.20324230    -11.16651032
  H     14.87157208      6.63291147    -11.95880918
  H     18.92519836      8.99557672    -13.16901919
  O     18.11314885     12.89788646    -15.03920255
  H     16.28470396      7.23957460    -11.84952983
  H     17.54098493     10.02517517    -15.80594656
  O     13.68285095      5.08374199    -15.63840749
  H     15.19071107     11.13747102    -10.49787941
  H     17.54172920     11.53896753    -16.03770596
  O     13.73681601     10.50017529     -9.56569036
  H     15.43308769     11.21894458    -12.02325648
  H     14.87932522      8.19003745    -15.11449778
  O     13.29877975      7.15905880    -11.18236659
  H     18.63995061     13.69192585    -15.06698928
  H     15.34893380      7.76421766    -13.68047195
  O     14.48585664     10.93814792    -13.50191845
  H     18.16310260     12.57841562    -14.12202342
  H     10.03183010      8.92115238    -14.44388792
  O     18.17542797      6.41703073    -16.29872708
  H     13.18654488      4.33404022    -15.95558450
  H     11.46930279      9.21179540    -14.93547912
  O     14.98424210      7.92733436     -9.02717909
  H     13.15456172      5.48853629    -14.92621184
  H     16.56551144      9.54045106    -10.97047989
  O     18.04769575      8.64521859    -14.64938104
  H     13.13410803     10.28624845    -10.29023621
  H     17.86390274      8.74516943    -11.19616014
  O     16.35990562      5.19561164    -14.71218732
  H     14.04941166      9.65378410     -9.22544164
  H     11.77333334      7.12830093    -13.92480382
  O     19.31596076      9.19501647    -12.29998521
  H     13.73733003      7.28545764    -10.33236275
  H     12.53151374      6.43499443    -12.77769276
  O     17.17852639     10.70863837    -16.38392709
  H     13.01964244      8.04205051    -11.46949826
  H     17.48368978     11.81005393    -11.93709773
  O     15.32396650      8.49322117    -14.31268830
  H     14.45390122     11.44260199    -14.32067864
  H     18.74619796     11.05854236    -12.38131579
  O     10.95059052      8.81431956    -14.21260162
  H     14.78791867     10.05209189    -13.76123014
  H     16.80625311      9.13243758    -17.53548398
  O     16.96596592      8.66512576    -10.85314743
  H     18.79379732      5.77439283    -16.63462794
  H     17.17631380      7.63387857    -17.41378759
  O     12.26304395      6.32767776    -13.69781371
  H     17.53261256      5.93063547    -15.75027981
  H     13.13500895     10.21059240    -12.51145446
  O     18.27543765     11.89264934    -12.48497568
  H     15.31755584      7.58312617     -8.20206367
  H     11.81440420      9.44317558    -12.67673385
  O     16.55626838      8.24752912    -17.82755544
  H     15.75884997      8.13951436     -9.57293798
  H     15.46706032     11.33400054    -16.29723338
  O     12.47750259      9.69564964    -12.02215194
  H     17.09118274      8.61947160    -14.49087406
  H     14.65548624     12.60615711    -16.60519056
  O     14.59468805     11.74754650    -16.19302905
  H     18.24993897      7.88156727    -15.20537837
  H     14.94300536      7.78584722    -17.21838001
  O     14.13327658      7.65609645    -16.70166872
  H     15.46740942      5.05560992    -15.05264953
  H     14.01152658      6.71697083    -16.52295991
          69
 Energy    -249.46785494560237     
  O      0.98779817     -0.33865624      3.23541144
  H      0.87314667     -0.76069079      4.09392011
  H     -1.52024340      1.37808067      5.53054233
  O     -2.91568211      0.11418633     -2.98282256
  H      1.08052741      0.61998398      3.36466083
  H      0.03125285      2.67063532      3.56965919
  O      0.10374377     -1.56781486      5.59651093
  H     -2.53355399     -0.76269451     -3.11250469
  H      0.81661164      2.51696071      2.23178611
  O     -5.41911222     -0.34967932     -2.05915267
  H     -2.25711127      0.62203787     -2.49122492
  H     -3.81180779      0.91385924      0.62128288
  O     -1.97260292     -2.59642066     -2.93444863
  H      0.53606481     -1.79014925      6.41672367
  H     -2.47200347      0.94769367      1.38704041
  O     -0.24298295     -1.44450932     -1.03537167
  H     -0.48990180     -0.81855384      5.78475360
  H     -2.29590933     -0.18951106      3.33151911
  O     -3.75125611      2.92254547      2.99258280
  H     -6.05206051     -0.08424641     -2.72078031
  H     -0.78999384     -0.06817163      2.87834839
  O     -4.10010359     -3.28199650      4.03397623
  H     -4.53936049     -0.10524362     -2.39986883
  H     -4.32415389     -3.05014685     -0.61953727
  O     -1.07268483      1.25251232     -1.17567665
  H     -2.78330088     -2.81993464     -2.44394286
  H     -4.81413367     -2.17065432     -1.78512103
  O     -5.81226361      0.89361322      3.16593154
  H     -1.87237568     -3.25598224     -3.61555824
  H      1.59037346     -0.47819105      1.48047841
  O     -3.76296894     -0.52052092      4.49222427
  H     -0.53138145     -0.52124468     -1.08541165
  H      1.25288966     -0.84716407      0.00876917
  O     -1.61613612      0.50059075      5.91985645
  H     -0.71142782     -1.91308717     -1.73675688
  H     -2.33782052      3.01949354      4.03231669
  O      0.86379502      2.37089919      3.18409940
  H     -4.52639523      2.38437223      3.18543760
  H     -1.56091569      3.86807849      5.06096617
  O     -3.00879676      1.43501999      0.73911042
  H     -3.45828001      2.61959099      2.12202986
  H      1.85009221      2.83570132     -0.05869770
  O     -1.70810205     -0.05770550      2.57771719
  H     -4.46901283     -3.98611292      4.55990216
  H      1.44959717      1.40405056      0.36336268
  O     -4.31206082     -2.96933298     -1.58159565
  H     -3.13116731     -3.39724024      4.04804759
  H     -1.20610831     -3.19126000      3.01970779
  O      1.81629093     -0.28932695      0.55858593
  H     -0.31785673      1.72256206     -0.80244364
  H     -0.85006782     -2.82086251      4.48746971
  O     -1.53844633      3.04082506      4.58550579
  H     -1.79956619      1.38309198     -0.54709192
  H     -0.94478768     -2.23376437      0.45082075
  O      1.12097035      2.31790230      0.27415740
  H     -5.70775165      0.51640516      2.27591442
  H     -1.52030498     -1.59359826      1.72780388
  O     -1.40990984     -3.38766359      3.94402972
  H     -6.74973307      0.98411525      3.31715157
  H     -4.30133920     -3.01124880      2.14644306
  O     -1.40384745     -2.44263767      1.27330644
  H     -4.50801603     -0.03555262      4.11676846
  H     -3.16656919     -2.68029298      1.16077093
  O     -4.13219715     -2.72778806      1.24126625
  H     -3.95341978     -1.46218611      4.39603507
  H     -5.45378336     -0.23035386     -0.22952720
  O     -5.27665243     -0.24479669      0.71990925
  H     -2.46423231      0.16139736      5.60048324
  H     -4.88856247     -1.10898812      0.92257430
          69
 Energy    -249.46782966778443     
  O     18.91615482      8.67954116    -12.02544075
  H     18.00494956      8.86419127    -11.74611331
  H     14.84486053     10.88519548    -13.29546264
  O     12.78635680      8.49897150    -10.88106729
  H     18.84077318      8.26665955    -12.89547403
  H     17.19264368      4.13835878    -10.67551789
  O     19.44877746     11.18522231    -10.86527675
  H     13.40019172      8.87475388    -10.22656083
  H     18.57196727      3.70241783    -11.21408489
  O     13.37878863      9.85919711    -13.38531287
  H     11.91792507      8.52566958    -10.48765413
  H     14.00787042      7.16429878    -11.49637783
  O     18.29861975      7.36462214    -14.39739041
  H     19.40864908     10.35539585    -11.35927149
  H     15.45530685      7.60940608    -11.74035795
  O     19.14800807      6.68968932    -10.14033357
  H     18.71019162     11.72736566    -11.16923069
  H     20.00367264      5.29975749    -10.83965622
  O     18.48407227      8.16224818     -7.80811715
  H     13.61381074      9.19505935    -14.04616243
  H     21.13584487      4.24881381    -10.89159506
  O     16.52363822      5.69273661     -9.83361112
  H     13.11727090      9.38543785    -12.58784137
  H     17.20371831     11.34710660     -8.56462951
  O     14.38718357      8.06561284    -15.41565821
  H     18.90561791      6.61073028    -14.37961066
  H     16.51184710     12.02038222     -9.75956776
  O     17.08696420     12.72223964    -11.44604961
  H     17.41705019      6.97621365    -14.32539206
  H     19.94860257      4.80509927    -13.16457342
  O     16.81211031      9.63866926    -15.24544438
  H     18.24067059      6.35789765    -10.07864138
  H     18.81241998      4.41239547    -14.12063652
  O     15.76872471     11.17213198    -13.24283911
  H     19.15586374      7.39400739    -10.80555295
  H     15.87339211      9.32156129    -10.59667459
  O     17.62734579      3.50630367    -11.26208135
  H     18.71427854      9.09403625     -7.91365121
  H     16.08014774      9.82650542    -12.06350113
  O     14.87431836      6.83057217    -11.75465339
  H     18.89393167      7.68631993     -8.54130162
  H     19.25717690     10.98942571     -9.15658043
  O     20.30510484      4.49306813    -11.29114263
  H     15.90061726      6.00038031    -10.50676298
  H     19.64103672     11.43008174     -7.72403278
  O     16.33593398     11.55439970     -8.93266053
  H     16.27128161      6.13143637     -9.01250314
  H     15.08297916      8.70925517     -8.54668370
  O     19.60384787      4.96017385    -14.05231624
  H     13.96353712      7.80256531    -16.22941647
  H     15.18596289     10.22160740     -8.94312936
  O     16.30473771      9.12540744    -11.43692958
  H     14.83967994      7.27827538    -15.07044503
  H     16.15530430      5.14060033    -14.19114232
  O     19.02843428     10.88873798     -8.21475723
  H     17.08349533     13.64093853    -11.70297540
  H     15.41448664      6.20717416    -13.33143980
  O     14.71714288      9.39123603     -9.12443672
  H     16.59452396     12.24089395    -12.13277022
  H     16.86225709      7.66917237     -7.60388697
  O     15.77673723      6.02838081    -14.21229761
  H     17.47463425      8.95908569    -15.06823995
  H     15.74609222      7.08268198     -6.70415919
  O     15.93934327      7.35212095     -7.59811802
  H     15.99665863      9.16328975    -15.44734342
  H     16.90018837      2.67621258    -14.22810246
  O     17.05718748      3.56125096    -13.90997863
  H     16.23631925     10.75839806    -13.98483172
  H     17.20169395      3.49255896    -12.94897320
          69
 Ord_Energy   -249.467392    
 O    1.49481511      -8.42236233       3.10747194    
 H    1.05585015      -8.92840767       3.78668642    
 H    1.67729473      -7.54477835       3.48775125    
 O    5.75618172      -9.29798603      0.408331245    
 H    5.54365587      -9.09331036     -0.511371970    
 H    6.53412294      -8.76661396      0.616888344    
 O   0.515868425      -8.20367813      0.424044788    
 H   0.796695948      -8.27794647       1.34519088    
 H    7.71697909E-02  -7.34983301      0.331476957    
 O    2.51175213      -1.93808961       1.16531432    
 H    2.30612898      -1.04601312       1.42911386    
 H    3.34131956      -2.18375373       1.61747515    
 O    4.27796459      -8.42272949       2.53512907    
 H    4.65871143      -8.90186691       1.78178585    
 H    3.36351705      -8.68892288       2.67261982    
 O    1.52092242      -5.13851976      -2.17439127    
 H    2.11105371      -4.45696878      -1.81844509    
 H   0.772471845      -5.21782351      -1.57064116    
 O    6.85185528      -4.79061747      -3.87881923    
 H    6.06204891      -4.22298861      -3.83095670    
 H    7.47625589      -4.34436655      -4.44455004    
 O    4.76351881      -2.86322737       2.29080749    
 H    5.18081522      -3.34721994       1.56463647    
 H    4.72911978      -3.47297573       3.03813624    
 O    3.51995420      -6.23522472      0.954788327    
 H    3.82381487      -6.89997387       1.58467102    
 H    3.21343660      -6.71296740      0.172499627    
 O    5.09430838      -8.19326973      -2.11422777    
 H    5.11555099      -7.93533754      -3.04668927    
 H    4.17964458      -8.06194878      -1.82399356    
 O    1.46949637      -4.50935411       1.63893878    
 H    2.22124958      -5.08384943       1.41952908    
 H    1.75814140      -3.59586287       1.52576005    
 O    4.68291712      -4.80638313       4.36476326    
 H    5.02026129      -4.62023258       5.23766708    
 H    5.30216789      -5.44077826       3.95993376    
 O    2.04176450      -5.90157890       4.02201843    
 H    1.69238544      -5.32320213       3.33171725    
 H    2.93022132      -5.57258701       4.20640278    
 O    4.51609755      -3.40495968      -3.79294825    
 H    4.11740780      -3.16609359      -2.94665313    
 H    3.87483525      -3.98026371      -4.22909594    
 O    3.31461048      -3.22096205      -1.23567319    
 H    2.96440172      -2.63974476     -0.551512182    
 H    4.09110546      -3.64994717     -0.844038546    
 O  -0.381360739      -5.48223495      -9.42147300E-02
 H   -1.25738025      -5.14663792       7.81999826E-02
 H   0.207185984      -5.09713793      0.578772545    
 O    6.26372290      -6.65270090       3.20479012    
 H    6.87238169      -6.76034832       2.46646118    
 H    5.61415529      -7.36620808       3.11101103    
 O    5.06129694      -6.96520758      -4.58877420    
 H    5.73128653      -6.27929020      -4.48238182    
 H    4.22120237      -6.49864006      -4.67512178    
 O    5.39294958      -4.46375799       8.46094489E-02
 H    6.01244879      -4.96667147     -0.455481619    
 H    4.78179026      -5.11419344      0.466736466    
 O    2.55586076      -7.58595896      -1.27174103    
 H    2.20458078      -6.79546356      -1.70056546    
 H    1.83869982      -7.97178745     -0.745983481    
 O    7.84547234      -7.32669401      0.886471331    
 H    8.78119755      -7.51221561      0.852959514    
 H    7.62312078      -6.88255119       5.22079207E-02
 O    6.92244530      -6.20637655      -1.46118689    
 H    7.04172707      -5.70880365      -2.27937818    
 H    6.27930117      -6.90633821      -1.65378106    
 O    2.63976026      -5.36252928      -4.68997288    
 H    1.98902762      -5.40622377      -5.38663483    
 H    2.14824319      -5.31997013      -3.85368395    
          69
 Energy    -249.46544558476353     
  O     -8.13494681     -2.68302361      5.20805957
  H     -8.72912114     -1.93789206      5.04526125
  H     -2.98525062      1.44925099      2.29509094
  O    -10.29956177     -2.16775693      2.06611808
  H     -7.31881850     -2.32125458      5.57136517
  H     -6.97847472     -0.58875114      2.73260789
  O     -8.21617339     -4.00168837      2.85384042
  H     -9.68187292     -2.88322310      2.25669342
  H     -7.03861053      0.43464337      3.92287388
  O     -5.24080882      1.13540110      0.04938994
  H    -10.33643461     -1.63694380      2.87286663
  H     -5.12740890     -1.55644219      5.28404774
  O     -6.72908129      0.97075652      5.72626231
  H     -8.28431396     -4.94619630      2.96146023
  H     -5.09740194     -1.96640672      6.77777442
  O     -4.73435980      5.57671181      1.63607747
  H     -8.18434378     -3.61624480      3.74900754
  H     -0.74701555      2.79619659      2.01528563
  O    -10.21356335      2.26361554      1.11379550
  H     -5.61805705      0.32664012     -0.31275172
  H     -2.04621610      3.41001328      2.59391574
  O     -4.37536762     -1.46621853      3.74713080
  H     -6.00842058      1.63284911      0.37567057
  H     -9.51000578      2.85971603      4.36905328
  O     -3.73593729      3.55412157      0.09805479
  H     -6.03977595      1.57511446      5.41296745
  H     -8.65312254      3.78358278      3.47649799
  O     -9.74035432     -0.52520709      4.30098072
  H     -6.31402720      0.13997721      5.99135811
  H     -6.97684817     -2.84017786      2.14689532
  O     -6.89976795     -1.09996201     -0.62371018
  H     -4.42799846      4.88161235      1.02635112
  H     -6.50076552     -1.88380291      1.00461416
  O     -3.79967026      0.95868571      2.46223008
  H     -4.68777076      6.40024055      1.15771801
  H     -9.76055941     -1.04187350      0.76622905
  O     -7.37685986      0.23551755      3.04172679
  H    -10.97153001      2.72822068      0.76904411
  H     -9.73683729      0.46878862      0.45459102
  O     -5.64264688     -1.55616936      6.11223111
  H    -10.05476147      2.61947797      2.00627833
  H     -9.55935909      2.04238036      6.80978506
  O     -1.69742320      2.76307192      1.95448766
  H     -4.96191687     -1.84757441      3.07891478
  H     -8.40416473      1.51452993      5.92730948
  O     -9.51256666      3.34849289      3.53749148
  H     -4.05190307     -0.64169211      3.36171858
  H     -3.60224978      3.90405066      4.10528024
  O     -6.35421797     -2.13532551      1.92522507
  H     -2.94444019      3.28296424      0.58006962
  H     -3.53533442      5.00402386      3.03335627
  O     -9.38663768     -0.37944571      0.16562206
  H     -4.21750142      2.73996724     -0.09492504
  H     -4.62574311      2.02188519      3.71739189
  O     -9.34115212      1.77679666      5.92016024
  H     -9.01071525     -0.25571122      3.72171472
  H     -5.65853211      3.17179190      3.94544959
  O     -2.98714566      4.47662048      3.62853288
  H     -9.85927391      0.20851353      4.91318993
  H     -8.36835653      2.33635740      0.92422271
  O     -5.00435311      2.60994896      4.38725436
  H     -6.99235364     -1.54702264     -1.46081697
  H     -7.43922864      1.50252298      1.83263515
  O     -7.44542570      2.22183549      1.17796408
  H     -7.79182324     -0.79485779     -0.37322371
  H     -7.01491484      3.53796721      2.27608461
  O     -6.80590863      4.19176440      2.96240148
  H     -4.29280701      0.94437413      1.63042815
  H     -6.18989321      4.81247976      2.55410937
          69
 Energy    -249.46531717438324     
  O     12.51567902      9.20144445    -17.32109999
  H     11.70699179      8.79918399    -16.97850473
  H     17.11738576      9.12328411    -11.33774085
  O     11.71643513      8.73784704    -13.51041232
  H     12.34109721     10.15009149    -17.35660054
  H     15.70627793      6.21986054    -13.61109246
  O     13.99141062      8.52751860    -15.13166771
  H     12.18084221      8.49691777    -12.69978106
  H     15.01958759      7.52946259    -14.06252378
  O     14.27818780     13.42277444     -8.30375989
  H     11.46265933      9.67066763    -13.44398902
  H     13.48328356     14.14740311     -9.89090373
  O     11.84715166     12.00022080    -17.16479727
  H     13.64475159      8.69582603    -16.01975877
  H     12.43409360     13.49741524    -10.80285283
  O     13.91409206      8.59170901     -8.76925397
  H     13.22562407      8.59315211    -14.54260773
  H     13.88198578      9.15734954    -11.56036872
  O     14.23006825     10.87730982    -11.75435489
  H     13.71939118     12.62647844     -8.23844590
  H     14.25654557      7.71387047    -11.99026194
  O     12.74551617     11.19142765     -8.38304366
  H     14.33243640     13.79512943     -7.42824858
  H     18.53125709     11.23847181    -14.17617469
  O     16.69874489     13.50874564    -12.26946535
  H     11.91235970     12.66013240    -17.85108695
  H     17.59684567     10.47153057    -13.20839952
  O     11.75088120     11.76128638    -10.94385477
  H     12.26495277     12.38005775    -16.37468200
  H     11.64172276     11.95186003    -13.92031288
  O     13.02327875     12.84201563    -14.80529319
  H     13.71664955      7.82439985     -8.23689752
  H     10.27402812     11.31386289    -14.27080046
  O     17.31018031      9.05796947    -12.28505919
  H     13.72825804      8.34628153     -9.69007972
  H     15.54759481     12.61960307     -9.39581484
  O     15.46521145      7.09452052    -13.31609066
  H     14.53854658     10.99808584    -12.65990388
  H     16.37176942     12.68376585    -10.72628191
  O     13.02507999     14.25899257    -10.73188855
  H     14.88044748     11.27063864    -11.15720486
  H     15.95885001     11.08455193    -14.36940850
  O     13.60934798      8.22647202    -11.49099128
  H     13.13218393     10.31087653     -8.45471034
  H     14.76941426     10.13238818    -14.75622750
  O     17.66107821     11.25400365    -13.78803647
  H     12.21551439     11.32600810     -9.18112165
  H     10.18377893     11.34252356    -16.42945383
  O     10.92902189     11.40440570    -13.56460903
  H     15.90691507     13.87737491    -12.67786150
  H      9.60119393     10.00092514    -15.94965590
  O     16.05932384     12.09508413    -10.02287785
  H     17.04544320     12.83138667    -12.86292898
  H     15.77872823      9.09417995     -9.23141879
  O     14.99906157     11.02168248    -14.45704305
  H     12.63770872     11.46732393    -11.20941679
  H     16.52871728     10.36835617     -9.65347855
  O      9.49420558     10.95726818    -15.87332793
  H     11.21220519     11.67874935    -11.73962817
  H     13.77971232     14.59564821    -12.24874823
  O     16.59789905      9.40212020     -9.63165097
  H     13.32955360     13.59655622    -14.28762071
  H     14.28086426     15.68454373    -13.22275162
  O     14.19742618     14.73995675    -13.11741922
  H     13.74238867     12.19184749    -14.76457342
  H     10.72516449      8.27164149    -14.96370317
  O     10.27589076      8.19114515    -15.82115301
  H     16.76606117      8.34187111    -12.62748922
  H      9.76294084      7.38750700    -15.78701564
          69
 Energy    -249.46518751995052     
  O      0.85811204      1.23819919      4.09357552
  H      1.59066280      1.46314948      4.66181389
  H     -4.91067939      3.87106753      0.21807522
  O     -0.42224860     -1.79935118     -3.16991974
  H      0.10038699      1.06122390      4.67994289
  H     -1.85726995      1.82106476      5.62824462
  O     -2.26586527     -0.73528333     -1.31929141
  H     -0.17815142     -2.59695034     -2.68446071
  H     -2.04220021      0.30762983      5.52663525
  O      0.39383528     -3.84392649     -1.29476258
  H     -1.19619691     -1.44290878     -2.71205124
  H     -2.41471779      3.20304970      0.21910640
  O      2.06359990     -1.86748408     -0.44513588
  H     -1.53073842     -0.18555869     -1.01032266
  H     -1.07668566      2.46514728     -0.11014532
  O     -4.92206968      2.68286097      3.14678720
  H     -3.06103005     -0.35420732     -0.92414394
  H     -3.57250830      0.33462524      1.03623496
  O     -2.96025221     -3.16116873      3.86280726
  H      0.89600040     -4.64051890     -1.44430043
  H     -4.37211699      1.34496373      0.19389234
  O     -1.13680440      2.84744262      2.91545077
  H      1.01553211     -3.18604320     -0.93482585
  H     -2.02990507      1.18351729      2.57892152
  O      1.52775894     -0.00173177     -2.55714069
  H      2.06039622     -1.21817546     -1.15951369
  H     -2.84096417      0.05396859      3.27498913
  O     -6.01654523      0.14889039      3.94652245
  H      1.89724206     -1.36894277      0.36511192
  H     -1.26827882     -3.59085687     -0.51530115
  O     -3.47183098     -0.64768302      4.83893080
  H     -4.29695439      2.92316391      3.84122094
  H     -2.21010587     -2.36231177     -0.57508663
  O     -4.34750539      3.16636433      0.52693906
  H     -5.32938543      1.85242286      3.42072379
  H      0.44612478     -1.03081383      1.92745872
  O     -1.37102049      0.98900428      5.67034680
  H     -2.13382264     -2.89883565      3.43520849
  H      1.14412255      0.20170572      2.53572081
  O     -1.45356816      3.26985957      0.27147090
  H     -3.52025338     -3.47000111      3.14118844
  H     -2.70591931      4.27229346      5.29613667
  O     -4.18003056      0.40372938      0.28171403
  H     -0.30219693      2.43229462      3.16058874
  H     -2.20552817      3.29924240      4.20135284
  O     -2.44748906      0.32722018      2.43411303
  H     -1.12588789      3.09206363      1.97812037
  H      0.46201476      0.73799035     -1.20629257
  O     -2.07198431     -3.21476862     -0.13436102
  H      0.85774479     -0.62193478     -2.89694989
  H      0.26560461      0.51573332      0.31580284
  O      1.09812549     -0.33729303      1.73827949
  H      1.97540426      0.36633790     -3.31364007
  H     -1.31562134     -2.47703304      1.37760638
  O     -2.82065014      3.38967682      4.95255463
  H     -5.98503273     -0.42168829      3.15719086
  H     -1.51533152     -1.18926968      2.22410859
  O     -0.15531472      0.87639396     -0.47656787
  H     -6.88847148      0.05294038      4.32031444
  H     -3.54259417     -3.65711118      0.81416320
  O     -1.00446223     -2.01255864      2.16475059
  H     -4.39399168     -0.40651134      4.68968309
  H     -4.69344556     -4.63549796      1.12557226
  O     -4.30953536     -3.80312923      1.39165665
  H     -3.36786070     -1.58406255      4.61029415
  H     -5.33968596     -0.76520661      1.09558173
  O     -5.77907952     -1.36233566      1.71743502
  H     -4.55538941      3.03665700      1.47014571
  H     -5.34476417     -2.21702612      1.61861301
          69
 Energy    -249.46462573725816     
  O     15.21564769     10.17546257    -16.29025862
  H     14.40275518     10.33999403    -15.79286499
  H     17.98523700      5.20644165    -12.74874235
  O     16.63721642      4.92861408    -13.83351308
  H     14.99925227      9.67885729    -17.08822824
  H     19.87404917     10.96690895    -17.85331096
  O     17.32598877     13.19431190    -10.83390457
  H     15.73042867      5.25138450    -13.79109819
  H     18.67354828     10.97271124    -16.87555733
  O     19.64445939      9.02336422    -14.88266068
  H     16.96731479      5.19823424    -14.69930169
  H     16.47814886      8.34760461    -14.00821065
  O     14.82712255      6.33945980    -16.69531713
  H     16.58973370     12.74715814    -10.39913338
  H     16.36403910      9.12275697    -15.35253724
  O     17.42742245      9.83857363     -9.22650227
  H     18.12536531     12.77305714    -10.49171619
  H     13.63162616     10.78119678    -13.77744380
  O     15.45021709      8.08137670    -12.51765986
  H     19.76572122      9.50202291    -15.71067736
  H     12.41953605     11.35264012    -14.53050913
  O     17.31414917     11.80577889    -13.21894792
  H     18.68741661      8.86997682    -14.81733544
  H     18.24641387      7.03127269    -11.46209357
  O     19.97162898      6.21477780    -14.78988745
  H     14.73647796      7.04856488    -17.34277865
  H     16.96439850      7.89332885    -11.60172693
  O     14.05995753      6.22919039    -14.08101342
  H     15.76531584      6.11089758    -16.69662444
  H     19.58012472     11.02124454    -10.92235937
  O     17.62647040      6.24920160    -16.20650808
  H     17.57113304      9.06001117     -9.78041981
  H     20.46400097     11.69889957     -9.85035283
  O     18.78403463      5.44131354    -12.24320099
  H     18.20209478     10.40061458     -9.35349131
  H     19.61055018      9.69028338    -13.19842784
  O     19.33246148     10.40028632    -17.31085639
  H     14.83103916      7.50984885    -12.98962743
  H     18.81354575      9.22317942    -11.94569074
  O     16.93224385      8.53369355    -14.83801384
  H     15.09110966      8.97823812    -12.47441404
  H     16.00988554     10.81020530     -9.51833897
  O     13.10795831     10.69453946    -14.59035384
  H     17.31305780     12.45503141    -12.50037217
  H     14.77448741     11.55170129     -8.95623230
  O     17.85146717      7.87521222    -11.21162005
  H     17.97895490     11.14678458    -12.98152322
  H     18.29801267      8.95580073    -18.00055471
  O     19.55740450     11.53687589    -10.09766104
  H     19.72160580      5.96945145    -13.89151481
  H     17.86898175      7.49551358    -17.71258285
  O     19.28925287      9.97313232    -12.33218074
  H     20.04642304      7.17924385    -14.79323831
  H     14.85515648     11.02045636    -11.49798336
  O     15.28787389     11.42241120     -9.74903924
  H     13.19970862      5.82229971    -14.01868815
  H     15.66724702     11.13170329    -12.81148441
  O     17.71470665      8.24634738    -18.29754890
  H     14.25876833      6.31276988    -15.03027037
  H     16.59945291     11.38170377    -16.22938783
  O     14.84279561     10.78877475    -12.43541326
  H     18.51907030      6.09192300    -15.86378961
  H     17.44382083     11.95233084    -15.07973865
  O     17.43293147     11.83391751    -16.03837799
  H     17.30862104      7.04567534    -15.74762600
  H     16.00117448      8.44189330    -18.53916459
  O     15.02863739      8.51381602    -18.53405182
  H     19.08035123      4.64233222    -11.81416787
  H     14.75183023      8.58552469    -19.44319945
          69
 Energy    -249.46441139067701     
  O     11.92521744     13.08821305    -12.35944040
  H     11.07314033     13.48000209    -12.18767997
  H     18.06677350     13.13685986    -16.85337539
  O     19.47366229      7.85011749    -10.78928128
  H     11.85556317     12.14598842    -12.12398642
  H     13.47240605      8.64056746    -14.22498716
  O     17.63915341     11.56892576    -12.10582882
  H     19.80762557      8.15710020    -11.65139440
  H     12.50339115      9.58455587    -14.92475203
  O     12.75834227      7.47553225    -11.68786306
  H     20.23521324      7.72436769    -10.22943297
  H     15.22289965     10.03826994    -13.65352640
  O     15.56019104      7.23381994    -11.66593773
  H     17.53907644     12.49631869    -11.86315161
  H     14.75105870     11.53770487    -13.70423752
  O     17.95518578      5.93909327    -12.29182808
  H     16.81925474     11.33963181    -12.57622089
  H     14.01072760     10.67020991    -16.53916816
  O     13.70287036     12.81999959    -14.51208706
  H     12.55419644      7.70709762    -12.60277698
  H     12.62536412     10.82588041    -17.20445919
  O     17.49356191      8.58033078    -15.66611551
  H     12.31018733      8.15304054    -11.17671220
  H     19.98566543      7.80703668    -13.86396499
  O     17.08302476      9.32444415    -10.47948814
  H     15.97533170      7.97171009    -11.19937797
  H     19.94127350      9.34082610    -13.72023495
  O     15.74030015     10.53616771    -16.78720514
  H     14.60583855      7.26337783    -11.51357679
  H     15.29274222     13.76486894    -14.53927764
  O     18.99569333      6.40212162    -14.75043323
  H     18.51200728      6.44741705    -11.68909192
  H     16.42137530     14.19343519    -13.56987853
  O     17.67187683     12.56938958    -16.19656712
  H     17.04967233      6.20705799    -12.08539445
  H     17.04978935     14.98682879    -11.20064821
  O     12.56886406      8.99121531    -14.16892460
  H     13.01532230     12.97416006    -13.85129293
  H     15.88170229     13.98382663    -11.34213741
  O     15.26790290     10.89317770    -13.20786593
  H     13.34980666     12.22732190    -15.18849454
  H     14.41611920     12.48023209    -10.50826587
  O     13.06384199     10.81445381    -16.35753235
  H     17.97058883      9.30134659    -15.23007412
  H     13.50835283     13.45604868    -11.27399129
  O     20.27274355      8.53648548    -13.30086097
  H     18.00047676      7.77636556    -15.49594424
  H     18.54080865     11.02064271    -13.58149253
  O     16.20931572     14.07116000    -14.50249507
  H     17.88749675      8.79168033    -10.43927136
  H     18.58535364     11.37104728    -15.08484669
  O     16.75773778     14.22448415    -11.69316935
  H     17.33153053     10.11802010    -10.97457351
  H     12.21159657      9.95895066    -12.58544546
  O     14.33437629     13.40415326    -10.78070041
  H     16.33540762     11.28451317    -16.65579373
  H     12.83757278     10.41359473    -11.23485529
  O     18.86167884     10.70802445    -14.43970402
  H     16.27069992      9.75624436    -16.58415586
  H     15.30960727     10.14404952    -10.20869376
  O     12.02704708     10.43727524    -11.76420438
  H     19.34489586      5.59652647    -15.12139528
  H     14.74759714     10.70487989    -11.51933613
  O     14.54372184     10.59844855    -10.57425109
  H     18.58223289      6.16428641    -13.90063535
  H     15.40406847      7.84663242    -13.34857999
  O     15.19967819      8.29138101    -14.18288763
  H     17.17721571     13.14694868    -15.58755148
  H     15.99661249      8.29442258    -14.72723231
          69
 Energy    -249.46437346730249     
  O     17.60064569      7.49707043    -13.16632613
  H     18.03516930      7.88837379    -12.39379319
  H     11.79372484      9.98225239    -16.89160318
  O     12.02946195     11.46132403    -12.06620562
  H     18.11672222      7.75672426    -13.93867919
  H     16.71312412      9.51748907     -8.72280150
  O     11.17346882      9.31936197    -13.45712740
  H     11.29827952     11.93531336    -11.67978605
  H     17.49524107      8.27700905     -8.23803978
  O     15.75406301      5.71373696    -12.13315498
  H     11.65355504     10.68624389    -12.52412668
  H     14.58273620      9.69170116    -11.99571565
  O     18.74932444      8.78265291    -11.01962180
  H     11.40820899      8.40616979    -13.25516520
  H     13.47257431     10.57083078    -11.34941638
  O     19.59344759     10.44139690    -13.11727994
  H     11.42237176      9.47795766    -14.37724919
  H     19.52174706      6.59096869     -8.34933019
  O     16.77445488     10.61586346    -10.30340645
  H     15.11635194      6.31111945    -11.71816658
  H     18.19137810      6.37457886     -9.11235911
  O     11.97587687      6.68436824    -12.72321358
  H     16.45365712      6.26350858    -12.51692251
  H     15.85125177     10.68510440    -14.03362299
  O     16.68208020      9.60961957    -16.40763641
  H     18.91625944      8.18336008    -10.28240196
  H     15.10008876     11.93711764    -14.51582744
  O     14.12475858      5.97583009    -14.50411135
  H     18.05342579      9.39547320    -10.73985997
  H     16.10267289      5.69388853     -9.02399787
  O     14.29822757      8.31808502    -15.91419103
  H     19.50514758      9.86411748    -12.34613913
  H     16.53597573      5.30885915    -10.45239535
  O     12.17096470      9.97249293    -16.01602961
  H     19.02713862     11.19897491    -12.93026929
  H     14.86098664      8.78372266    -14.20223464
  O     16.67917712      8.77631671     -8.10597510
  H     17.07110006     11.31472365    -10.89920554
  H     16.11898401      8.51976388    -13.32632584
  O     14.21646982      9.99166505    -11.14576073
  H     15.84819099     10.44170065    -10.52737397
  H     19.33031700      9.41360347    -14.51257092
  O     18.84612063      7.04495886     -8.84492363
  H     11.35688279      6.01996912    -12.42854824
  H     19.92508334      8.52195535    -15.62899079
  O     15.98977692     11.57437213    -14.39226991
  H     12.57092417      6.86102727    -11.97515646
  H     13.89606121      8.24628173    -10.82193597
  O     16.84563390      5.35509401     -9.53855074
  H     16.51726185     10.43100857    -15.92835157
  H     14.02312477      7.06063583     -9.83476995
  O     15.33020803      9.07088401    -13.40945666
  H     17.53882361      9.29581348    -16.09338486
  H     17.73993806     13.34668446    -12.37147980
  O     19.11006740      8.74730982    -15.18825019
  H     14.75404214      5.70919841    -13.82381917
  H     17.03792771     12.19207775    -13.12272501
  O     13.78701910      7.28770137    -10.74253171
  H     13.30916078      6.16514767    -14.02318844
  H     12.90152713     12.06435720    -13.69470069
  O     17.62504698     12.39967848    -12.37489501
  H     14.33665652      7.40660920    -15.58896234
  H     12.90490833     11.51099784    -15.12877347
  O     13.31870561     12.17061609    -14.55789559
  H     15.17161728      8.62138623    -16.20459496
  H     15.40920731      7.57335663     -8.11216972
  O     14.78792250      6.82562337     -8.17850946
  H     12.92840906      9.36102129    -16.04381106
  H     14.41089514      6.70327856     -7.31156474
          69
 Energy    -249.46311863668583     
  O     12.95970039     13.16340142    -14.18214577
  H     12.83237862     12.38738457    -14.74325410
  H     15.72381769      7.78803706    -16.10219008
  O     18.10814327      7.16071577    -14.30720616
  H     13.66732270     13.67128335    -14.59510182
  H     17.01693007     10.80032244    -14.46983094
  O     18.63370592     11.37102555    -11.41539457
  H     17.47792701      6.42948012    -14.29669213
  H     18.29404944     11.60603088    -14.81881627
  O     16.78622649     13.97583324    -13.17249950
  H     17.98910403      7.59524599    -15.15935498
  H     14.96499186      9.47977045    -18.55370952
  O     15.96541479      5.25563295    -14.28200966
  H     18.54178724     10.41801174    -11.56036800
  H     15.87991852      9.81399908    -19.75702743
  O     15.08851311      9.87904266     -9.80169524
  H     17.77489558     11.68395132    -11.11499022
  H     16.67004616      9.66066232    -12.74048927
  O     14.78236398      6.56133254    -12.23930022
  H     16.28885821     14.13489905    -13.98325720
  H     15.85388285     10.96926717    -12.51129525
  O     13.00489632     12.70629317    -11.52876467
  H     17.66759891     13.68732427    -13.43804355
  H     13.99500413     11.16077710    -16.08833306
  O     13.52955889      8.83606098    -17.79784139
  H     15.53585832      5.64338508    -13.49744761
  H     13.30601789     10.18367782    -15.08847358
  O     16.35666326      7.53081621    -10.08947704
  H     15.89855441      4.30891846    -14.19670558
  H     17.55681966      8.19608074    -11.34420940
  O     17.24639124      8.69739459    -16.60866616
  H     14.23641033      9.79393704    -10.25774538
  H     18.14210824      8.12412843    -12.79788449
  O     14.91294076      7.30434638    -15.88701826
  H     15.43769993     10.73390301    -10.06903721
  H     14.82045407     12.48921578    -11.23924976
  O     17.59942754     11.05864888    -15.20142036
  H     14.31637135      7.33108357    -12.58045553
  H     16.14214694     12.98020405    -11.87539788
  O     15.81759052      9.87745143    -18.80801490
  H     15.27502001      6.85541022    -11.46283843
  H     19.15488971     12.21791937    -12.85510782
  O     16.01004255     10.24965585    -13.13543511
  H     12.39626759     13.29317429    -11.08779553
  H     20.19614617     13.00929403    -13.68226717
  O     13.13655075     10.84063769    -15.77682577
  H     12.95414447     12.90822140    -12.48034652
  H     16.33145427     11.65858066    -16.27586746
  O     18.00414028      8.70364452    -12.03314833
  H     13.14874375      9.50962725    -17.22081904
  H     15.65303569     11.34527038    -17.62948546
  O     15.77235275     12.31989021    -11.26592455
  H     13.86817235      8.14839125    -17.20751878
  H     12.93172656      9.51198804    -12.24740583
  O     19.29874869     12.68868127    -13.69630628
  H     15.90807768      8.37808474     -9.91041072
  H     12.73297399     10.82561861    -11.45758495
  O     15.57977386     11.89567243    -16.84102706
  H     16.51013322      7.11515808     -9.24558709
  H     15.32625471     13.50879474    -16.10562173
  O     12.80515408      9.86706115    -11.36021262
  H     17.48881259      9.49781993    -16.12033585
  H     15.17545605     15.04639983    -16.13947818
  O     15.20728687     14.29660367    -15.54988814
  H     16.91252504      9.00440920    -17.46002497
  H     14.10051034      8.25363333    -14.55486660
  O     13.81389940      8.85005952    -13.84896590
  H     15.19279944      6.48479367    -15.46160954
  H     14.59896638      9.35679705    -13.57969751
          69
 Energy    -249.46289608633901     
  O     14.83592730      9.46706244    -10.37827631
  H     15.63125997      9.67607633     -9.87299416
  H     16.39163453      4.25837912    -12.90710196
  O     13.03157305     10.98081709    -15.97962622
  H     14.65313770     10.17480350    -11.01153541
  H     12.42429221      7.41840804    -10.65322016
  O     16.87356349     11.00828085    -13.57903514
  H     13.05174795     11.76857074    -15.42231489
  H     13.55748526      8.19924709     -9.95921516
  O     13.19566099      4.98158633    -12.61090183
  H     12.89567514     10.23505403    -15.38016693
  H     18.36462980      8.29118788    -15.52674235
  O     17.40576739      6.75277526     -9.19723814
  H     17.49418165     10.84788117    -12.85407976
  H     19.82736290      7.91104793    -15.80189593
  O     16.03626766     12.98150462    -15.38431572
  H     15.98280250     10.97276956    -13.20658872
  H     14.46745572     13.23336866    -14.64015320
  O     15.99539235      7.64769568    -12.16371214
  H     13.81391812      4.76773228    -13.31941939
  H     13.28061767     14.08862888    -14.13202886
  O     14.24150875     10.99069001    -12.59776047
  H     13.73626272      5.06582353    -11.81626465
  H     13.72453000      8.35436706    -14.36880959
  O     18.75755165      7.69906377    -12.48828531
  H     18.06507656      6.28672575     -9.72499729
  H     12.44251245      8.38746540    -13.49647715
  O     18.49131530     10.27796566    -11.49777452
  H     16.56368968      6.33554379     -9.41276002
  H     14.48780278     10.96594765    -16.94628901
  O     15.33340607      4.65727664    -14.47583311
  H     16.49828053     12.41870924    -14.74623908
  H     15.16930936     11.14076574    -18.32380676
  O     16.80029907      4.13633270    -12.04191321
  H     15.91469768     12.43594250    -16.17053202
  H     10.66542596      6.90047829    -12.42349538
  O     13.00136164      7.41021114     -9.88121840
  H     15.64492621      8.33216606    -11.57955480
  H     12.10500501      6.34907199    -12.54522562
  O     19.08832568      7.71678164    -15.23009271
  H     16.95774888      7.73093266    -12.20849331
  H     14.28012668      6.16402708    -10.09722959
  O     13.58677772     13.19101246    -14.22518903
  H     13.94836099     11.81232073    -13.00991149
  H     15.41149585      6.29322143    -11.13969446
  O     13.02203521      8.93342023    -14.04235023
  H     13.79511157     10.26902175    -13.06511396
  H     18.29912328      4.82177794    -11.46889088
  O     15.35057164     11.01835189    -17.39600119
  H     18.93917690      7.63061834    -13.43639429
  H     19.72732863      4.65523788    -10.89651022
  O     11.58299106      7.16157512    -12.41838430
  H     19.00417776      6.86771260    -12.06567415
  H     15.80491884      8.00220803    -15.22028147
  O     15.02513507      5.68277118    -10.48881146
  H     18.74744344      9.40417023    -11.82716520
  H     15.48370747      7.46718362    -13.80001705
  O     19.05191659      5.30238179    -11.07997288
  H     18.15261183     10.12592166    -10.60848608
  H     17.36685064      8.51731687     -9.04673829
  O     15.23934152      7.38591785    -14.73810537
  H     15.32452782      5.60748100    -14.68030432
  H     17.52920013      9.75149824     -8.13140566
  O     17.29003564      9.48726408     -9.01602746
  H     15.40747585      4.19833188    -15.30881409
  H     16.44706683      9.86125173    -16.44759970
  O     16.91428231      9.35011263    -15.77607964
  H     16.14859978      4.44082632    -11.39657069
  H     16.95518087      9.90793287    -14.98295452
          69
 Energy    -249.46177206472180     
  O     12.54716399     10.17929113    -14.78429082
  H     13.41444684      9.76706685    -14.64195889
  H     20.77483020     10.36774296    -13.49778956
  O     16.78595595      7.15364415    -14.08741764
  H     12.59359046     11.03252393    -14.33460768
  H     15.95202987     12.19459161    -15.13769538
  O     16.67595611      9.99583092    -10.56830793
  H     16.10511302      6.60609437    -13.67387818
  H     16.42173741     12.39556921    -13.67614827
  O     14.41397088      7.42206288    -17.50616412
  H     17.36218558      7.48673794    -13.38494895
  H     15.66141465      8.58514902    -14.16548016
  O     14.21103084      6.71819705     -9.32512367
  H     16.58971459      9.48018662     -9.75700367
  H     15.55508606     10.00243718    -14.78824409
  O     14.64955816      5.89851331    -12.86522135
  H     15.77723142     10.15092111    -10.89263664
  H     11.58289458      8.81419163    -14.20747910
  O     14.21903310     10.31903430    -11.78910383
  H     14.00065381      7.05912715    -16.70310650
  H     10.28716082      7.99778415    -13.97992694
  O     16.20431239     10.77767375    -16.42645361
  H     14.17091640      6.84029568    -18.22239147
  H     18.10048913      6.92601995    -10.80826004
  O     15.73161832      4.64385922    -10.61768341
  H     13.66175864      7.08540018    -10.02995088
  H     17.40667219      6.96433990     -9.43529322
  O     18.99735666     10.03679861    -16.11331035
  H     14.60936400      5.91703421     -9.68716352
  H     13.74336824      6.09395893    -14.50962965
  O     17.05367805      8.07302267    -16.67145710
  H     14.11553956      6.57906437    -12.43125038
  H     12.47034350      6.88066802    -14.85294717
  O     19.85238729     10.12616338    -13.52191780
  H     14.99754699      5.33562657    -12.16239091
  H     17.40225715     11.30847955    -11.76752664
  O     15.71716076     12.61724450    -14.30464946
  H     13.78198076     11.13580423    -12.05301816
  H     18.46918560     11.31992610    -12.87394080
  O     15.13199727      9.39069911    -14.17424050
  H     14.63904581      9.98691762    -12.60111330
  H     17.71647809      8.88852769    -11.58088764
  O     11.23188078      7.97996418    -13.85047944
  H     16.56195806      9.88450313    -16.53722197
  H     18.93645920      8.84696546    -12.53702699
  O     17.76296137      6.36189082    -10.10019401
  H     15.34110791     10.75949014    -16.86784051
  H     16.27819467      8.28995115     -7.48786379
  O     13.23526024      6.44913799    -15.25011039
  H     16.51701792      5.19803333    -10.45704252
  H     15.50849187      7.71079479     -8.69921169
  O     17.69060613     11.78889896    -12.55326055
  H     15.95931248      3.75757370    -10.35114988
  H     12.28483994      7.82647178    -12.27700682
  O     18.29499269      8.29108736    -12.07767387
  H     18.58679575      9.21275592    -16.40975588
  H     13.36090727      8.71357023    -11.60025859
  O     16.31026356      8.19759341     -8.43620468
  H     18.32568835     10.70810080    -16.27293894
  H     14.10764666     12.60146965    -13.67748288
  O     12.99812097      7.81684096    -11.62769969
  H     17.05849922      7.64955944    -15.79948151
  H     12.87187999     13.37833081    -13.16540826
  O     13.21058935     12.49904988    -13.30700403
  H     16.22200693      7.80746797    -17.08325216
  H     13.87388848      9.25992311    -17.52136906
  O     13.70408329     10.20398614    -17.40241868
  H     19.60149699     10.07700125    -14.46002616
  H     13.11918155     10.27081805    -16.63792870
          69
 Ord_Energy   -249.461212    
 O    2.32722950       11.4307184      -9.46582699    
 H    1.43731117       11.8096046      -9.45830059    
 H    2.93158913       12.1804075      -9.54036903    
 O   0.776550055       7.21275425      -8.46656609    
 H  -0.101680629       6.94113493      -8.17643356    
 H    1.01907003       8.02994537      -8.00358105    
 O   -2.79046082       9.15648556      -8.53701878    
 H   -2.21684217       9.77742863      -8.07230854    
 H   -2.48997116       8.26468372      -8.32404518    
 O    2.60141444       7.70379639      -12.1409407    
 H    2.27367377       7.22793531      -12.9117565    
 H    2.70167112       7.05138206      -11.4300499    
 O   -1.16836166       10.8445950      -11.3192596    
 H  -0.658028066       10.0550661      -11.0757751    
 H   -2.09921312       10.5941677      -11.2911787    
 O    2.82422400       10.4251852      -12.0425100    
 H    2.64489675       10.6603613      -11.1212988    
 H    2.92143512       9.46455765      -12.0889158    
 O   -1.91790318       6.47870398      -8.12753677    
 H   -1.91687596       6.07642794      -9.01511765    
 H   -2.32450414       5.84716940      -7.54008198    
 O  -0.364836156       8.42460346      -14.3550816    
 H   -1.10567510       8.24393463      -13.7603197    
 H   -7.98340887E-02   9.32970047      -14.1846628    
 O   -1.83220243       5.47827482      -10.6502485    
 H   -1.04458022       5.08864594      -11.0477457    
 H   -2.11629200       6.16211414      -11.2715139    
 O    3.80701518       13.7509823      -10.1299725    
 H    4.59274244       14.2096205      -9.84618473    
 H    3.94923139       13.4952183      -11.0592070    
 O    1.28245449       13.7120142      -13.6277437    
 H   0.958982289       12.7975912      -13.6724930    
 H   0.978935122       14.1474457      -14.4205294    
 O   -3.70987463       9.71746349      -10.9952421    
 H   -3.44437099       9.50858593      -10.0794687    
 H   -4.62274647       9.98790359      -10.9669342    
 O   0.503663003       4.55298996      -12.0212927    
 H   0.604001343       3.65182567      -12.3215599    
 H   0.707598150       5.11940527      -12.7813711    
 O    1.34205890       9.67238331      -7.45841312    
 H   0.521815121       10.1514511      -7.29005766    
 H    1.83982635       10.2130222      -8.08545685    
 O    2.41251850       5.77979183      -10.2155657    
 H    1.77504492       5.25020838      -10.7086725    
 H    1.91281199       6.20361423      -9.50238132    
 O   0.526179433       11.0465441      -13.4817533    
 H  -0.156773925       11.0647135      -12.7949686    
 H    1.35139656       10.7952747      -13.0387402    
 O    1.21376801       6.25216770      -14.1583652    
 H   0.628521979       7.02078438      -14.2875099    
 H    1.56148541       6.02688599      -15.0173302    
 O   -2.12401795       7.75004721      -12.2557230    
 H   -1.31487000       7.93464279      -11.7506733    
 H   -2.79292774       8.36329460      -11.9270411    
 O  -0.251898557       12.6031637      -9.44970608    
 H   0.130397469       13.3814840      -9.88023281    
 H  -0.641333878       12.0530052      -10.1460752    
 O   0.176889345       8.48800755      -10.8717022    
 H   0.969733536       8.30089760      -11.3879175    
 H   0.314986050       8.07712841      -10.0088205    
 O    1.12016237       14.5090704      -10.8499870    
 H    1.12343109       14.3199377      -11.7963057    
 H    2.03379178       14.4023895      -10.5569344    
 O    3.89021468       12.9147654      -12.7122297    
 H    3.67648125       11.9796906      -12.5774288    
 H    3.11466122       13.2924347      -13.1445236    
 O   -1.11871862       11.1355400      -7.31720304    
 H  -0.842404902       11.7419176      -8.02598763    
 H   -1.37654293       11.6806126      -6.57757139    
          69
 Energy    -249.46120983346344     
  O     15.64493523      8.70075591    -17.73751128
  H     14.98818434      8.32623085    -17.12527943
  H     16.01589118     12.01462971    -17.60901409
  O     15.16212935      8.93499049    -11.56564328
  H     15.64826714      8.14008678    -18.50969759
  H     12.25919478     12.62216222    -17.46337052
  O     17.46048338     14.75215770    -12.42951121
  H     15.50201858      8.51871982    -12.37018649
  H     13.69948936     12.10882989    -17.20269862
  O     13.89856094      7.83984902    -15.82390689
  H     15.75235636      9.66621329    -11.33902561
  H     18.51539291     13.11013425    -12.55765429
  O     13.82013502      6.65637500    -10.67691774
  H     16.75837167     14.46321970    -11.82644403
  H     18.76971169     11.86625876    -13.43583248
  O     14.88372757      5.13975447    -12.66258315
  H     17.85963131     15.52238006    -12.02980541
  H     13.36799079     13.22192115    -12.81309241
  O     15.67461939     11.38929962    -13.98340102
  H     13.36704998      7.17955353    -15.35615444
  H     12.98910052     11.99434020    -11.94085827
  O     12.71972814     10.08436579    -12.23804985
  H     13.59226684      8.71219759    -15.53329318
  H     17.23609539      8.22528727    -15.01053830
  O     15.90920359      7.49194818    -13.85843700
  H     14.34774095      7.45957340    -10.79825639
  H     17.08823205      8.65596781    -16.48235888
  O     18.23018968     11.27205190    -15.09058389
  H     12.92950631      6.89226407    -10.96350443
  H     13.32127237      5.65345285    -13.68522539
  O     13.30938387     10.34133944    -14.91665090
  H     15.19208848      4.28537795    -12.37412914
  H     12.13327225      6.60150932    -13.43735254
  O     15.20102482     11.52917115    -17.78588951
  H     14.53197528      5.59366365    -11.87559282
  H     14.65721604     13.51226257    -11.07094902
  O     12.87121377     12.39194387    -16.77076197
  H     15.87292603     11.32146297    -13.04203830
  H     15.27297691     14.08981724     -9.77551026
  O     18.83533429     12.20083649    -12.52934749
  H     16.52423186     11.34855941    -14.44051750
  H     15.62525063     14.51946597    -14.99727019
  O     13.27298387     12.91482472    -11.90101191
  H     12.78379651     10.17271495    -13.20060797
  H     16.95097203     14.76121134    -14.26583752
  O     17.68933674      8.68621054    -15.72843025
  H     13.56766951      9.71953772    -11.94093611
  H     17.47747530     11.46607716    -11.63947611
  O     12.60653444      6.12540246    -14.13063844
  H     15.23185786      7.63170925    -14.53462916
  H     16.23376233     12.05166793    -10.91831727
  O     15.49353354     13.78687478    -10.65247086
  H     15.72964072      6.62057470    -13.48252852
  H     13.56686331     13.33374360    -15.29702570
  O     16.56175039     14.70653213    -15.14656426
  H     18.15800427     10.34140183    -15.35450077
  H     14.69016384     12.87678427    -14.33323794
  O     16.59852185     11.24337315    -11.29464962
  H     18.11947245     11.82531451    -15.87217524
  H     11.78672721      8.54270294    -12.03153094
  O     14.07019026     13.60154192    -14.51825052
  H     14.19049271     10.63035514    -14.62820843
  H     10.53341518      7.71852926    -11.66819780
  O     11.43915082      7.63910830    -11.95728187
  H     12.99651348     10.99464310    -15.55327728
  H     18.01925433     13.58265929    -17.72806969
  O     17.48985095     13.08122385    -17.11361253
  H     15.41640267     10.58890034    -17.79415540
  H     17.17812460     13.70755786    -16.43526246
          69
 Energy    -249.46069541763924     
  O     15.74143216      9.90753528    -16.61921734
  H     15.57832614      9.16142808    -17.21016188
  H     20.48849366      9.29182198    -17.51685510
  O     17.25508387     13.24119461    -11.20527683
  H     14.89910578     10.13453148    -16.20461839
  H     16.49347254      8.77004952    -15.29493670
  O     19.55796318      8.32812811    -14.25896008
  H     17.27503951     12.86049326    -12.09520928
  H     17.72994317      8.23051996    -14.50921080
  O     16.80356134     10.18992676     -9.24399889
  H     16.40531075     12.97866407    -10.83187412
  H     13.72464270     10.66742634    -14.33335173
  O     15.06658251      8.38909703    -12.46626310
  H     19.52093275      8.97298724    -13.53917566
  H     12.62503934     10.94985196    -15.37761665
  O     17.25121818     11.61123735    -13.48621597
  H     19.77639658      8.77261292    -15.08761476
  H     16.42518137      8.08118378    -11.35728813
  O     19.88108938      5.61239234    -13.86325686
  H     17.64074604     10.66345225     -9.32675547
  H     17.53312080      7.03388824    -11.11916057
  O     13.81608058      6.10834345    -13.61585080
  H     16.94737956      9.32661863     -9.65191473
  H     13.44184842      6.99080149    -15.16692994
  O     18.60195927      4.73809322    -16.09044014
  H     14.77665369      9.30825298    -12.47246858
  H     13.26010174      8.45099883    -15.63447075
  O     16.46220870      5.42457251    -14.37670992
  H     15.65770175      8.30197268    -13.23209392
  H     19.79289628     12.22420892     -9.49480629
  O     17.76219846      5.32147234    -11.92017451
  H     17.80658848     10.96959474    -13.02445946
  H     18.52224184     12.36199855    -10.36956200
  O     19.77615367      9.25110925    -16.88440531
  H     17.55554676     11.63949948    -14.40432236
  H     19.17224074     10.47238590    -11.35407310
  O     16.77054482      8.16570457    -14.59720753
  H     19.88394542      6.57390246    -13.98574161
  H     18.38731857      9.16768230    -11.65458460
  O     13.35858834     10.37117010    -15.18290529
  H     19.33782916      5.45386468    -13.08315784
  H     14.32155822     12.15702884     -9.46332043
  O     17.26823591      7.93423628    -10.90048654
  H     14.09429129      6.85061815    -13.06238905
  H     15.52575133     11.25272805     -9.81197393
  O     13.40058846      7.55332510    -15.95342193
  H     14.63246598      5.65517480    -13.86377432
  H     18.31536588      6.32253144    -17.09533070
  O     19.12877173     11.72069665     -9.95684491
  H     18.99132473      3.93829870    -16.43319157
  H     17.18821341      7.21386078    -17.65898805
  O     18.93159848      9.85939560    -12.05903570
  H     19.14019926      5.00779188    -15.32396500
  H     14.55530594     11.44687354    -11.94312524
  O     14.90215517     11.90608984    -10.17676849
  H     16.50533685      6.38014692    -14.53847729
  H     15.52060762     11.30399396    -13.14632690
  O     18.14340828      7.16459348    -17.53457136
  H     17.05702958      5.02594263    -15.02227234
  H     18.71307098     10.77746527    -16.40309181
  O     14.61282210     11.12709414    -12.85191468
  H     17.24761706      5.31978221    -12.74454283
  H     17.19458870     10.97494905    -16.40205921
  O     18.02265274     11.37904724    -16.10306777
  H     17.51616814      4.53019631    -11.44603750
  H     14.61031902      7.38462156    -17.18958573
  O     15.29760835      7.44432402    -17.87845028
  H     19.19145724      8.52520135    -17.16816767
  H     14.88249173      7.18512535    -18.69706885
          69
 Energy    -249.46050140687868     
  O     13.49199072     10.42058485    -15.67580748
  H     13.34650622     10.01050217    -14.80248484
  H     21.07619975      7.21603678    -13.19631692
  O     16.38423943      5.46826309    -13.36582768
  H     12.71061826     10.93102458    -15.87072945
  H     18.10610414     10.08738649    -17.68285040
  O     19.28059981     10.17170311    -12.80871784
  H     16.29557652      4.80384130    -14.05748247
  H     16.79051550     10.48381043    -16.98324704
  O     19.88960504     10.01408678    -17.08750170
  H     16.37501474      6.31457578    -13.83997886
  H     17.31644126      7.71357299    -15.37940862
  O     13.48193555      5.51214181    -15.65467425
  H     18.32014779     10.03356256    -12.86901905
  H     15.75763609      7.79556766    -15.52945905
  O     17.32892513      8.32461262     -9.67244260
  H     19.69752340      9.33458157    -13.04748769
  H     13.64239365      9.15977869    -12.53395410
  O     14.25956761      6.15477734    -11.65531588
  H     19.65888856     10.66430985    -16.39887599
  H     12.71401563      8.27336658    -13.38996482
  O     16.60334440      9.77397586    -13.11392205
  H     20.66146916     10.34754751    -17.53598643
  H     12.59783008      6.07892258    -14.28106925
  O     17.38471407      5.79246976    -17.44856234
  H     14.26930704      4.95831770    -15.69479300
  H     11.25934654      6.12531797    -13.50751929
  O     19.05036833      7.55139728    -15.99190084
  H     13.71528363      6.33953612    -16.10026185
  H     18.06645306     11.78173565    -15.25982183
  O     15.98501522      4.09483498    -15.81548882
  H     17.40216823      7.99181692     -8.78092423
  H     19.18925469     11.29907080    -14.30788536
  O     20.22560863      7.57435763    -13.43560215
  H     17.95641687      9.06280732     -9.74818637
  H     17.95358424      7.11877844    -11.06957655
  O     17.14673368     10.06838378    -17.77901599
  H     13.47349078      6.16386218    -12.21530953
  H     17.68415341      6.09793755    -12.21290809
  O     16.48244004      7.75776384    -14.89376412
  H     14.97059578      5.79845351    -12.20476548
  H     19.23038864     11.28582373     -9.77264159
  O     13.08747200      9.16174231    -13.32216226
  H     16.01642508      9.53121226    -12.38819763
  H     19.25736427     10.38188733    -11.01534637
  O     12.14494726      6.47771002    -13.51650550
  H     16.56507620      9.03582134    -13.74357698
  H     15.94804730      8.02392665    -19.84087456
  O     19.02450267     11.70504265    -15.16984291
  H     16.93257447      6.42648133    -18.01758506
  H     16.46715984      8.70590767    -18.54934309
  O     18.37690194      6.59838355    -11.76069976
  H     18.08880788      6.28845796    -17.01009857
  H     15.68272050      8.70329581    -10.52080261
  O     19.09411454     10.38596904    -10.05860871
  H     19.37586073      8.35697896    -16.41326521
  H     14.67572314      7.82907433    -11.28442461
  O     16.04515162      7.89960118    -18.90098599
  H     19.49995154      7.48288762    -15.13928875
  H     16.32549112     10.84530000    -14.54642532
  O     14.94976322      8.75082309    -11.14640357
  H     16.10400438      3.20815593    -16.14558331
  H     15.23621961     11.16812910    -15.56859695
  O     16.17823800     11.28642408    -15.39646650
  H     16.48855257      4.67946572    -16.40881147
  H     14.01942292      8.81673402    -16.48824041
  O     14.34225686      7.93209934    -16.70018998
  H     19.57616076      7.19061457    -12.81686781
  H     14.80798823      7.96084315    -17.54592938
          69
 Energy    -249.46022985095931     
  O     16.87987853      9.92931077    -16.61986248
  H     16.53938218      9.25084803    -17.19706825
  H     15.45425553     12.43614181    -15.29899029
  O     17.20487998     16.45874293    -15.61530977
  H     17.10813840     10.68929700    -17.18457292
  H     16.98064036     12.84508966    -17.46523299
  O     22.13394521     12.27793911    -16.19617523
  H     18.04562815     16.48493486    -16.08660478
  H     18.36409140     12.56306089    -18.06502556
  O     19.37034933     13.62048812    -10.39567805
  H     17.41334500     16.60219948    -14.68324263
  H     20.35506935     10.79848274    -10.70959792
  O     15.44241884     11.78605957    -12.23479680
  H     22.04846454     11.42377250    -15.75742913
  H     19.77584587     10.26352544     -9.37781477
  O     21.71594837     10.98328482    -11.77067806
  H     22.00729281     12.92078588    -15.48324298
  H     22.18564097     14.73998069    -11.47064291
  O     17.72360932     10.07618710    -12.17734726
  H     19.38725113     12.69209921    -10.13237297
  H     21.06830922     13.76216590    -11.03027301
  O     19.90898179     13.49206588    -17.25565326
  H     18.67998997     13.68606759    -11.07137715
  H     18.18518990      9.88521119    -15.31514660
  O     20.57067442     16.57976483    -14.19341310
  H     15.29238869     11.67998437    -13.19227244
  H     18.42878689      9.97269204    -13.76233613
  O     19.53659367     16.50197942    -10.51827125
  H     14.58865886     11.73906535    -11.81380093
  H     20.01209213     16.71050547    -17.70014792
  O     21.23804358     13.89208889    -14.09291866
  H     21.76069457     10.72943145    -12.69959129
  H     19.88108472     15.29837491    -17.09231641
  O     15.22004505     11.58051853    -14.91175830
  H     22.02722324     11.89425811    -11.69893483
  H     22.76490940     17.31832868    -11.83426627
  O     17.47414026     12.20030372    -17.99308183
  H     16.91680979     10.59849916    -12.09443151
  H     21.65641587     16.71133228    -12.72070452
  O     19.56960337     10.80927059    -10.13230597
  H     18.28793151     10.31251860    -11.43120709
  H     17.75839927     15.50110549    -12.78237071
  O     21.94799138     13.80553078    -11.43666648
  H     19.38674149     13.25820927    -16.47702247
  H     18.50785635     16.61660800    -12.04094350
  O     18.84668254     10.06193936    -14.63509944
  H     20.75951481     13.04947785    -17.11580963
  H     20.61805507      9.96143611    -14.57356702
  O     19.82638084     16.24589343    -16.88732618
  H     19.70181781     16.53846973    -13.76362189
  H     21.91555938      9.12523519    -14.61016938
  O     22.10916754     16.62573773    -11.86594737
  H     20.41269224     16.60959461    -15.14511132
  H     19.67691909     13.15678497    -14.44947032
  O     18.12558812     16.38793700    -12.90071516
  H     20.44807214     16.62736551    -10.80690580
  H     18.82371342     11.85587499    -14.67266075
  O     21.58509457     10.01277514    -14.48887087
  H     19.46822008     15.57302561    -10.26285222
  H     16.55475355     14.79237752    -15.89516025
  O     18.79958807     12.82245199    -14.69061383
  H     21.53196644     13.76588327    -13.18209762
  H     17.23678553     13.47996820    -15.47131857
  O     16.47542661     13.83061079    -15.95416341
  H     21.05652101     14.83509528    -14.19475954
  H     16.69065604     13.15431538    -12.27172830
  O     17.45888785     13.71965125    -12.41754215
  H     15.67245063     10.91912959    -15.44646580
  H     17.93127379     13.34941985    -13.17542283
          69
 Energy    -249.45979275421851     
  O     11.65960560     10.90477284    -14.15358953
  H     12.03777473     10.17806168    -14.66850456
  H     15.84268562     11.58819979    -16.39574423
  O     16.23968267      6.88447430    -13.86845606
  H     11.30265775     10.49447334    -13.35804315
  H     15.80924775      8.61137856    -14.05814836
  O     17.46339536     10.72812742    -11.45644554
  H     15.53244245      6.74249745    -13.22363109
  H     16.13482621      9.97449235    -14.74470165
  O     17.41902584     10.98315216    -15.63562418
  H     17.01748422      7.16191000    -13.36108145
  H     11.16931751      8.48073507    -12.40585310
  O     14.86361960      8.62906199     -8.61479675
  H     17.48100796     10.49822497    -10.51876385
  H     10.05885731      9.10412798    -11.52461606
  O     14.32057977      6.89950795    -11.84891326
  H     16.57557436     11.04891205    -11.66817238
  H     17.21945844      6.71003059     -9.66722674
  O     14.92765529     11.40025296    -12.35864325
  H     17.97922077     11.32691390    -14.92890875
  H     18.18745050      7.37688089    -10.67828778
  O     16.57984144      7.45859171    -16.63852667
  H     17.94273020     10.32682748    -16.11458810
  H     12.25487978      7.60713945    -14.10220740
  O     15.41818920      6.08540751     -9.38738635
  H     15.69129883      9.12397333     -8.61147271
  H     12.68832341      6.86807898    -12.82037576
  O     18.86607119      8.87150836    -16.77592703
  H     14.33049055      8.99499273     -9.33499599
  H     19.55547090     12.44923115    -13.19750817
  O     20.07152465      9.03989603    -14.18857296
  H     14.67087292      6.46704663    -11.06048413
  H     18.55782744     11.38059053    -12.69533766
  O     14.92006676     11.65559046    -16.67983542
  H     14.10358569      7.80434968    -11.58272867
  H     17.87140841      8.96074208    -12.10828705
  O     15.49895157      9.51768077    -14.17943816
  H     14.49150025     12.07193059    -12.89397114
  H     18.96251149      8.29940127    -12.98416686
  O     10.90939506      9.28279842    -11.91585536
  H     15.12026547     10.67655838    -12.98086790
  H     18.04277657      9.96870567     -8.07790401
  O     18.02246483      7.24052688     -9.73475381
  H     16.37738555      7.11457439    -15.75857678
  H     17.76374084      8.83374854     -9.09390579
  O     11.91277672      7.18266688    -13.30275346
  H     15.80794173      7.94548926    -16.95030430
  H     14.59110600     10.06240763    -17.38230967
  O     19.08522419     11.66262958    -13.46178016
  H     15.16469964      5.43245695     -8.74056488
  H     14.25666353      9.20901655    -18.62706997
  O     18.22588740      8.10665420    -12.38596260
  H     15.17844879      6.95631933     -9.02017820
  H     13.95037307     10.21841688    -11.35859086
  O     17.51330361      9.74089252     -8.83747459
  H     18.08213110      8.29273878    -16.75670192
  H     12.59825289      9.47276658    -11.16502626
  O     14.45269027      9.15076128    -17.69572364
  H     19.31858750      8.69547369    -17.59611193
  H     13.14226648     13.68604739    -14.47921379
  O     13.53265587      9.46435426    -10.92245548
  H     19.91102294      9.96876609    -13.98161745
  H     12.81060938     12.18712945    -14.29509616
  O     13.54231446     12.82616771    -14.37890211
  H     19.75278153      8.91167225    -15.09112807
  H     13.31196554      8.76966210    -16.23848297
  O     13.06230921      8.77634081    -15.30784366
  H     14.44771508     12.07076037    -15.94944762
  H     13.86383601      9.06241154    -14.84479269
          69
 Energy    -249.45973803050867     
  O     17.88904754      8.57006479     -8.08205862
  H     18.33974268      8.33364095     -8.90276969
  H     13.36847714     11.78502794     -8.75955957
  O     15.19185590      4.93089742    -10.73425719
  H     17.58127196      7.73854726     -7.70315532
  H     14.47025193      9.08619896    -14.43715661
  O     11.82215132      5.62455885     -9.44209974
  H     14.89868400      5.29871703     -9.88625050
  H     14.76492845      7.71619907    -13.83660945
  O     17.85343197      5.36675045     -9.86696650
  H     14.39456149      4.66339769    -11.20712854
  H     18.26026538      8.57274051    -11.20440930
  O     17.04004578      5.90503421     -7.33126349
  H     12.06066444      5.19018327    -10.26963163
  H     19.71746773      8.08379024    -11.09182962
  O     16.89719337      9.54677821    -11.92704809
  H     12.63629020      5.69149648     -8.92834677
  H     15.22752081      5.94405302     -7.83224689
  O     10.32041119     10.12806240     -9.20030594
  H     18.15976527      6.17612140    -10.29335873
  H     14.20689885      7.01243986     -8.28124505
  O     16.07443491     10.21969696     -9.29838464
  H     17.03573185      5.10136110    -10.30850080
  H     12.09374935     11.25704961    -11.98113552
  O     13.15191222      8.57030250    -11.06827641
  H     17.48386166      5.36768132     -6.68039787
  H     13.33184118     11.62361621    -11.08139941
  O      9.76708372      7.38417425     -9.66032227
  H     17.39683432      5.64596220     -8.20030945
  H     10.44564679      7.84442350    -12.79602876
  O     12.12067299      7.05929917    -13.10789051
  H     16.46022259     10.11568386    -12.57018775
  H      9.67842389      7.95795527    -11.46509809
  O     13.94143731     12.05407795     -9.48760654
  H     16.43109905      8.69496734    -11.98667078
  H     10.06222253     10.04865908    -12.16997386
  O     14.24056669      8.15441461    -14.52193162
  H     10.27754654     10.50835497    -10.08487736
  H      9.56730117     11.50691615    -12.31857087
  O     18.84109712      7.95220702    -10.73666319
  H     10.14076356      9.18476028     -9.30378603
  H     11.51194917     10.62345068     -8.07348141
  O     14.39233330      6.06115247     -8.30147467
  H     16.33746221     10.07405490    -10.21567442
  H     11.90082202     11.17394062     -6.67773277
  O     13.05694660     11.22988220    -11.92533163
  H     16.72702465      9.75751727     -8.75107381
  H     12.27526297      3.89147729    -12.49319850
  O      9.75051839      8.34365555    -12.34802342
  H     13.26868436      8.57985497    -10.11102794
  H     12.46088972      5.42509689    -12.46504367
  O     10.26671912     10.97503447    -11.94804650
  H     13.12104138      9.49009129    -11.36174608
  H     14.35301371     11.03972446    -13.11489494
  O     12.26454712     10.84719196     -7.49551779
  H     10.52018031      6.77704099     -9.55804283
  H     15.17900011     11.61750118    -14.28339330
  O     12.66362603      4.60217468    -11.98907173
  H      9.02302967      6.96227232     -9.23731269
  H     13.32363282      9.39991330     -7.95950862
  O     15.09327922     10.85389342    -13.71772014
  H     12.71947200      7.39429273    -13.78999454
  H     14.68021452      9.23873429     -8.69588665
  O     13.89334881      8.75735015     -8.39918917
  H     12.34957691      7.55724094    -12.30576162
  H     14.61614267      7.76269430    -11.72388826
  O     15.39826287      7.32333431    -12.09214576
  H     14.76841698     11.56767564     -9.36371813
  H     15.43591385      6.45185049    -11.68334014
          69
 Energy    -249.45973707397818     
  O     15.94849516     11.60262527    -12.32485387
  H     15.02143771     11.61467049    -12.03100545
  H     13.29359486      7.98518769    -12.82929257
  O     16.71745999      8.09046129     -6.67978668
  H     16.14491576     12.48341098    -12.63479359
  H     13.95575316     11.22151183     -8.39328370
  O     15.64723756      5.13538934    -10.88391196
  H     17.46419423      8.07450257     -7.29193369
  H     12.41647103     11.24520049     -8.34696543
  O     11.98157331      5.39733071    -10.88108040
  H     16.39352903      7.18325473     -6.63783665
  H     15.85180942     10.04752139    -13.59082542
  O     17.72757490      5.42071837     -8.98207643
  H     15.01984919      5.27645423    -10.15807423
  H     16.06573925      8.58115920    -13.23248619
  O     15.97710487      5.29998150     -6.90783879
  H     15.11914392      4.96924909    -11.67407481
  H     18.21227444      8.86648731     -9.33501298
  O     17.10626409      9.94888485    -10.30151294
  H     12.55899774      5.18519734    -11.62401995
  H     19.57216927      8.40598202     -8.77481584
  O      9.96879753      9.66118648    -10.27834986
  H     12.53412778      5.35955866    -10.09082610
  H     14.48706574      5.40929376     -8.05045667
  O     15.29673516      9.93569130     -8.11860700
  H     18.07037458      6.31801901     -9.07191314
  H     13.58432924      6.52591826     -8.61872451
  O     13.45463881      8.68730146    -11.19147388
  H     17.16885357      5.24840020     -9.75159181
  H     12.49468649     11.48483893    -11.84251408
  O      9.95745186      7.09845884    -11.49449418
  H     16.21008428      4.63249912     -6.26788753
  H     13.25948274     11.65506139    -10.47764270
  O     13.43849181      7.69210732    -13.74409482
  H     16.65787108      5.27125543     -7.60453694
  H     11.68563103      8.32987760    -13.94441189
  O     13.18110423     11.69998712     -8.72010391
  H     16.87291193     10.64513377    -10.92521211
  H     10.47347759      8.09314528    -13.02379964
  O     15.78309585      9.15860815    -13.95589614
  H     16.80081939      9.12468505    -10.71838012
  H     10.83700607     10.30266014    -13.05806934
  O     18.64914927      8.16702351     -8.82402813
  H     10.21040229     10.24473766    -11.00637387
  H     10.26105961     11.73852304    -13.06962683
  O     13.87663668      5.61400134     -8.76941018
  H      9.95445519      8.76710395    -10.64332855
  H     10.59139504      9.89949402     -8.70021129
  O     13.36497972     11.47192941    -11.42534912
  H     15.89530949     10.02607448     -8.87050747
  H     10.36840031     10.10272662     -7.17990298
  O     10.81976936      8.68477083    -13.70466543
  H     15.75139881      9.37228657     -7.47448860
  H     13.73340274      4.47575592    -13.81360421
  O     10.83253482     11.15207916    -12.58088049
  H     13.20761588      8.46593515    -10.28591992
  H     13.71038932      5.96059130    -13.38703239
  O     11.04473300      9.99627831     -7.84252521
  H     13.42436957      9.64967578    -11.26897439
  H     12.36550638      8.73661748     -8.15940593
  O     13.82005621      5.05233480    -13.05855422
  H     10.68645090      6.50614879    -11.24160085
  H     13.90691851      8.79846309     -8.32900350
  O     13.12988943      8.23724940     -8.47106280
  H      9.16610418      6.56523967    -11.49396566
  H     15.14288053      8.10584331    -11.38580123
  O     16.05228181      7.79193897    -11.50752280
  H     14.20208841      8.20028190    -14.05187203
  H     16.04041972      6.84838665    -11.31364024
          69
 Energy    -249.45969671830869     
  O     17.24667700      9.50715310    -14.55893048
  H     17.33332820     10.46537605    -14.49956763
  H     12.11077100      9.90061537     -9.74044918
  O     17.46977641     12.22371961    -13.82455426
  H     16.74213152      9.23919249    -13.77323531
  H     19.43589052      3.02574898    -13.44970204
  O     13.05820960      6.90261192    -11.17467011
  H     18.05645984     11.99459177    -13.08057539
  H     18.25471919      3.75659106    -14.13075923
  O     15.73747783      7.56140448    -15.88078642
  H     17.83445513     13.00273374    -14.23595806
  H     15.45618590      5.76296741    -12.57420408
  O     19.46497927      8.05333545    -13.75387024
  H     13.04252146      7.78526570    -10.78943994
  H     16.67868558      6.06698438    -11.66869402
  O     20.90791094      9.37255312    -11.86106835
  H     13.97340536      6.59287659    -11.13377371
  H     19.03704790      5.91306660    -16.10391427
  O     18.48685281      6.11090104    -11.94408155
  H     16.30039392      8.26336562    -15.52861447
  H     19.64797322      5.19973218    -14.87972881
  O     12.22465384      6.10930551    -13.64575657
  H     14.82088144      7.86703177    -15.79443073
  H     16.80692422      6.43997384    -16.76454128
  O     14.89726985     12.26774306    -12.55204906
  H     18.74397414      8.59800196    -14.09570578
  H     17.34808697      5.84816176    -18.08373657
  O     13.19093518      8.30048032    -15.22919929
  H     19.66222055      7.37283002    -14.41451979
  H     15.68986949      7.86597721    -12.17592972
  O     13.36300416     10.06979284    -13.06694711
  H     20.46304994      8.89402445    -12.58295665
  H     14.90733763      9.15143082    -12.62726336
  O     12.84885920      9.65732282    -10.29527532
  H     21.84519966      9.29993632    -12.01990024
  H     18.32886488     10.97259930    -11.13589034
  O     19.05168219      3.88753401    -13.58597740
  H     18.71480714      5.28209184    -12.38375268
  H     19.72022717     10.84816037    -11.77408119
  O     15.71555016      6.13312640    -11.71729883
  H     18.76583923      6.81503916    -12.54626124
  H     17.81597369      9.20822598     -9.99152670
  O     19.76090656      5.95775040    -15.46667198
  H     11.40398328      5.62816336    -13.58510344
  H     16.67566844      9.47468116    -11.01525324
  O     17.43158936      5.79388769    -17.13505767
  H     12.44282230      6.40858373    -12.74517690
  H     13.92733695      5.52071137    -14.12814406
  O     15.77574211      8.80480957    -12.38712634
  H     15.76967447     12.29845053    -12.96414570
  H     15.18955069      6.15302469    -14.77785135
  O     18.95125617     11.42805564    -11.71834314
  H     15.03276383     12.11467537    -11.61040954
  H     19.88231643      8.48297360    -10.46843434
  O     17.13488624      9.84657298    -10.24637979
  H     13.19286702      9.01221641    -14.57410289
  H     18.96741601      7.24816661    -10.47706738
  O     14.87783860      5.40428745    -14.24994313
  H     12.73357666      7.56765928    -14.80012387
  H     15.79598585     10.84953806     -9.80469113
  O     19.18118220      8.04301430     -9.97148006
  H     13.82774134     10.92039208    -13.01947747
  H     15.14584960     12.02217098     -9.03527568
  O     14.99045528     11.39228877     -9.73459119
  H     12.96136214      9.92956588    -12.20194405
  H     16.10578461      4.14877136    -14.82458344
  O     16.89260758      3.74290992    -15.21404932
  H     13.58032910     10.24622516    -10.05325773
  H     17.09450467      4.28665838    -15.98571077
          69
 Energy    -249.45966584693258     
  O     -3.71661043      4.15521460      3.80872446
  H     -4.38262484      4.83724540      3.80163396
  H     -1.18079520     -3.60979478      3.80668432
  O     -2.93287149      2.16792187      1.96578204
  H     -2.85929341      4.59454958      3.65776894
  H      0.31864088     -1.06056730      2.42317236
  O     -2.47381482      2.89837308      6.07406537
  H     -3.35486019      2.79416180      2.56650450
  H     -1.07638596     -0.35900505      2.43374504
  O      1.99482706     -2.35853667      0.57291933
  H     -2.04808025      2.51953952      1.79134052
  H     -0.54476764      0.85017565      5.02165283
  O      0.89433372      1.05314644     -1.68653526
  H     -3.01258585      3.29273296      5.37712811
  H     -1.87486509      1.26018998      5.69228204
  O     -1.10360459     -0.58189224     -0.58865204
  H     -1.63028247      3.36774352      6.05085795
  H      1.85184779     -1.76209550      4.03447958
  O     -2.73350178     -0.37426754      3.09134250
  H      1.96732899     -2.42867086      1.53746168
  H      0.83535259     -2.88455044      3.70598278
  O     -0.64747432      3.26684209     -1.43655213
  H      1.15289092     -2.71732397      0.27043870
  H     -1.00806174     -3.80716796     -0.75193941
  O      3.02368742      0.11301036     -0.01884755
  H      0.22652862      0.39565761     -1.44589132
  H     -0.93710126     -2.30665657     -0.38855583
  O     -0.14167369     -1.75226783      6.41657157
  H      1.68977056      0.80078838     -1.20484179
  H      0.58971647      3.16820300      5.35235438
  O     -2.13864642     -3.08222504      2.48082226
  H     -1.82106360      0.05643597     -0.71053871
  H      0.76347525      4.38707971      6.28444225
  O     -0.54122112     -3.83554857      4.50643997
  H     -0.75040937     -0.44872527      0.30413280
  H      0.92204379      0.94296014      1.97990880
  O     -0.20113604     -0.35051302      2.02562696
  H     -2.95742314      0.46235158      2.65979483
  H      2.27091439      1.26531251      1.32557579
  O     -1.38572730      0.50112310      5.34164298
  H     -2.38523899     -0.14110031      3.96507638
  H      2.96188755     -1.02991121      6.24423572
  O      1.44775085     -2.25112088      3.30810020
  H     -0.03975331      2.51912221     -1.58216510
  H      1.43463033     -1.17142351      6.01793686
  O     -0.72871724     -3.20242109     -0.06875341
  H     -0.54588897      3.85447571     -2.18006603
  H      1.66496516      0.84721089      5.06346797
  O      0.16827433      3.98984916      5.65337872
  H      3.92597415     -0.00669831     -0.30377311
  H      1.44711464      1.67842613      3.76830066
  O      1.63130163      1.60933049      1.95814316
  H      2.67065212     -0.77703535      0.15718812
  H     -0.87705834      4.60892295      2.64610881
  O      2.26001743     -0.81936780      5.63457407
  H     -0.38712181     -2.50093415      5.85902776
  H     -0.66954479      4.82457277      4.16230135
  O      1.20018566      1.61211617      4.70124772
  H     -0.71581604     -1.01632494      6.15966068
  H     -3.08196657      1.75280306      0.12442936
  O     -1.20824291      5.10100292      3.41068371
  H     -2.50468251     -2.19653618      2.60695306
  H     -2.24569715      2.18936788     -1.09463509
  O     -2.86112765      1.51324742     -0.78553373
  H     -1.72046027     -3.10547929      1.61223108
  H     -0.50995497      3.45075337      0.38775245
  O     -0.44641425      3.37119985      1.34844522
  H     -0.65380418     -4.76357998      4.69263151
  H      0.34858076      2.85531356      1.53475286
          69
 Energy    -249.45779607096296     
  O     10.42306972      7.51049242    -13.12067256
  H     10.69927416      6.71257007    -13.58696026
  H     15.12351155      6.69100717     -8.70603222
  O     11.61224912      5.66766615     -9.01003559
  H     10.99115718      8.21448667    -13.45784972
  H     15.81441813      4.96084745    -13.70907751
  O     17.43169000      7.64618225    -12.62279811
  H     11.20409235      6.41567775     -9.46090446
  H     16.42394860      6.40193848    -13.46410264
  O     15.57618162      3.17483879    -13.23955024
  H     12.51991478      5.93161212     -8.81342340
  H     13.43319506      5.33073502    -11.86226101
  O     16.52349653      7.93793009     -8.75344166
  H     16.85903638      8.19239861    -12.06608278
  H     14.65887622      6.11634054    -12.33814362
  O     14.03848118     11.32401233    -14.82829699
  H     17.69750988      8.20115955    -13.36742035
  H     18.49780861      9.55280194    -15.41785940
  O     10.51499835      7.91625119    -10.42631892
  H     15.94354199      3.23644667    -12.33704303
  H     16.98623023      9.23545496    -15.32454150
  O     13.65238736      7.11054179    -15.22165152
  H     15.96833943      2.40697925    -13.64531053
  H     12.25706931      8.56337912    -10.74901380
  O     16.27845876     11.08145619    -13.05381961
  H     16.93819907      8.49171979     -8.09693530
  H     13.39709620      7.71529399    -11.34745128
  O     16.55190169      3.46357801    -10.78162538
  H     16.31300683      8.51256368     -9.50901799
  H     17.85535335      6.45053013    -11.21584884
  O     14.76388580      3.30351779     -8.57755038
  H     13.43199218     10.66376125    -14.45014549
  H     17.45222190      6.52130680     -9.74023872
  O     14.46090611      6.01825273     -8.89868570
  H     13.50014853     12.04643624    -15.14046877
  H     15.98293403     10.04477362    -11.63217070
  O     15.68739749      5.90774036    -13.84917670
  H      9.70589772      8.32926930    -10.13614796
  H     14.85050869      9.17500000    -11.00836442
  O     13.98947911      6.08743431    -11.64394573
  H     10.40004804      7.70950249    -11.37087582
  H     14.95193616      9.96158323    -15.82084908
  O     17.79750205      9.36072233    -14.80026657
  H     12.91180192      6.49611326    -15.15704374
  H     14.81598337      8.43385747    -15.98710184
  O     13.12884999      8.62889539    -11.15588493
  H     14.40255132      6.67502390    -14.78747552
  H     11.94349635      4.03381292     -9.76187738
  O     17.78551309      5.91781414    -10.41334946
  H     16.90487405     10.62614510    -13.62962586
  H     13.13818544      3.07315620     -9.63929036
  O     15.80606777      9.32472884    -11.00862588
  H     15.51659266     11.28292740    -13.61114350
  H     12.98155509      8.51949868    -14.30175044
  O     15.42476317      9.17194173    -16.11352334
  H     17.03462865      4.28746072    -10.61853047
  H     12.80515855      9.12148202    -12.87488546
  O     12.35279100      3.25429682    -10.16713598
  H     16.00669829      3.29998869    -10.00416437
  H     11.95470262      4.72134139    -13.94935967
  O     12.59022984      9.25671861    -13.80880287
  H     14.83791560      3.03436911     -7.66548030
  H     10.99328293      4.76081965    -15.15815768
  O     11.52726210      5.31323466    -14.59241365
  H     14.67693401      4.27223676     -8.57747059
  H     13.72406336      3.46439543    -12.95711974
  O     12.82793427      3.76856291    -12.76672026
  H     14.37545259      5.98885178     -9.86405042
  H     12.58464805      3.45711354    -11.87954860
          69
 Energy    -249.45754448456591     
  O     13.43497608      1.70567615    -14.74168507
  H     14.02362148      1.55983111    -15.49229152
  H     18.09233759      5.49250065    -19.08289696
  O     19.96341199      7.80127139    -16.92246726
  H     14.00358889      2.00100790    -14.01600287
  H     14.89633796      3.63285817    -12.38633323
  O     14.41065071      5.20776781    -11.52908281
  H     19.35141598      8.52026904    -16.72059828
  H     15.48559685      3.45554096    -13.80511108
  O     19.11763099      4.67946553    -12.33125312
  H     19.95029983      7.21509933    -16.15503820
  H     16.80110965      3.23324500    -19.25693095
  O     16.79734956      8.41300299    -18.69331713
  H     15.26246234      5.65905822    -11.67539637
  H     16.01141535      2.33630627    -20.22648282
  O     15.08142958      6.82871231    -15.56504822
  H     14.14302778      5.40902460    -10.63664455
  H     19.47363019      5.62640980    -13.90609836
  O     18.56912555      3.98201163    -16.39057662
  H     19.72683904      4.49075394    -11.62210855
  H     19.21353162      5.29676540    -15.38943828
  O     15.35583355      1.97673279    -16.83491898
  H     18.73732969      3.82658495    -12.60660389
  H     18.07681929      7.22494991    -14.52483761
  O     17.94802557      2.35119214    -13.10424053
  H     17.56623063      7.97403259    -19.07667637
  H     17.48703385      8.58139692    -14.98102438
  O     17.80496708      9.63735654    -16.47653713
  H     16.10462485      7.74155741    -18.64595567
  H     12.63858927      5.34052681    -14.33454050
  O     15.97198915      4.21607622    -15.35221547
  H     15.80823416      7.24604695    -15.08671010
  H     13.42548409      5.76609146    -13.06438425
  O     17.45404213      4.83433739    -18.78063468
  H     14.33218370      6.70378924    -14.96252266
  H     12.80930094      4.11645784    -17.03123266
  O     15.23164796      2.97064289    -13.00274135
  H     18.23280293      4.22146786    -17.26625329
  H     13.85968292      3.23544426    -17.70520080
  O     16.36269043      2.37096693    -19.33983240
  H     18.50957756      3.02471533    -16.29166565
  H     18.20132851      0.43242764    -16.12509470
  O     19.43653617      6.02147240    -14.78579174
  H     15.48746529      2.83031181    -16.38846975
  H     16.98223614      1.37649947    -16.13341814
  O     17.36015262      7.85463202    -14.35808306
  H     15.69558107      2.04793330    -17.74047656
  H     15.09110821      6.52057015    -17.29139055
  O     13.07621920      6.08644736    -13.90472047
  H     18.01071345      1.90980014    -13.95741032
  H     14.44098656      5.49224079    -18.23247976
  O     13.36435912      4.05062740    -17.81932360
  H     17.00117924      2.45139997    -12.92888375
  H     17.58415259      5.78462419    -12.05239196
  O     17.89260316      1.28054717    -15.81430032
  H     17.73262911     10.58354432    -16.56841405
  H     16.93055447      7.00484987    -12.73039206
  O     15.11441060      6.18503413    -18.20174556
  H     17.36515602      9.24629679    -17.25241588
  H     19.53531667      7.20992957    -18.50372297
  O     16.80565984      6.35386741    -12.02838806
  H     16.90966531      4.24345050    -15.57659635
  H     19.85274870      7.13330115    -20.01636849
  O     19.18187724      6.93470633    -19.36902787
  H     15.62022363      5.11049418    -15.44225969
  H     10.99585109      3.69058283    -15.31405215
  O     11.92638409      3.90059055    -15.33721727
  H     16.63305555      5.30474037    -18.56812897
  H     12.40165024      3.08818977    -15.09077359
          69
 Ord_Energy   -249.457184    
 O   -3.76292062       5.78348160       6.49982262    
 H   -4.37048817       6.03560495       5.79368830    
 H   -4.28322792       5.32255077       7.17432165    
 O   -3.73489833      0.184661031       6.41683531    
 H   -4.21528673     -0.635516644       6.49552965    
 H   -4.24728203      0.757796943       5.82127142    
 O  -0.594637871       3.67749619       10.9803343    
 H   0.284079194       3.50677705       11.3093042    
 H  -0.567209303       3.53062105       10.0195179    
 O   -1.39559865       1.22052062       5.18100834    
 H   -2.03413534      0.646663785       5.61716270    
 H   -1.78250492       2.11200905       5.21501780    
 O   -3.29265523       2.17654800       8.40556526    
 H   -2.41254735       2.55533290       8.26757622    
 H   -3.39842391       1.43478799       7.80050182    
 O   -1.50110972       1.54760218       2.37488675    
 H   -2.43297362       1.73934925       2.21701789    
 H   -1.42759383       1.28209531       3.30090070    
 O   -4.05044270       5.09776115       2.41597056    
 H   -3.10849953       5.25733757       2.56660199    
 H   -4.13268042       4.16195393       2.19989634    
 O   0.218191653       5.49857283       5.43137217    
 H  -0.192984864       5.91073608       6.20225525    
 H   0.319473952       4.56541395       5.66287136    
 O   -1.31096590       6.14283514       7.69382524    
 H   -2.17132473       6.16065645       7.25017595    
 H   -1.48172891       6.31125069       8.63199615    
 O   -4.89217615       2.07770944       4.78250122    
 H   -4.11023378       2.64546824       4.87308693    
 H   -5.63386202       2.58651543       5.14201498    
 O   0.765589595       2.70508409       6.09709120    
 H    1.39530289       2.90782547       5.39144373    
 H   0.150722429       2.04547501       5.74764729    
 O   -4.61948299       5.10594893       10.9125824    
 H   -4.19311666       4.25099564       11.1046314    
 H   -5.14920712       5.32741976       11.6739187    
 O   -5.16376591       4.23387051       8.29394150    
 H   -5.12662220       4.61934614       9.17793465    
 H   -4.56645489       3.47119474       8.30508137    
 O   -2.65657449       3.64714980       5.10780716    
 H   -2.99239230       4.35144854       5.67592907    
 H   -2.23486662       4.08391857       4.35578251    
 O  -0.794262290       3.44695950       8.24222374    
 H  -0.980444789       4.37450743       8.03634548    
 H  -0.157688424       3.12901568       7.58822966    
 O   0.354675323       3.40730929       1.74712384    
 H  -0.270239651       2.68028235       1.91957521    
 H   0.617332339       3.33565855      0.833329439    
 O   -3.27443504       2.75618696       11.1785564    
 H   -2.34138656       2.98305416       11.2845345    
 H   -3.34709048       2.37911129       10.2913265    
 O   -1.34206736       5.15222502       3.16566277    
 H  -0.763423264       4.63411188       2.59188509    
 H  -0.802457154       5.44119596       3.91646433    
 O   -6.64249182       3.84369373       5.88572311    
 H   -6.30351543       3.98487806       6.77992582    
 H   -6.42158031       4.63925457       5.38478613    
 O   -5.60340261       6.09853363       4.41021633    
 H   -6.07133913       6.86252594       4.08344603    
 H   -5.08010817       5.75257635       3.66579700    
 O   -1.96520102       6.14813423       10.3696165    
 H   -2.88887072       5.93435717       10.5467796    
 H   -1.45534778       5.41299868       10.7312870    
 O   -4.28256750       2.22311473       2.10011292    
 H   -4.60946941       2.08345461       3.00412655    
 H   -4.91098166       1.80783260       1.51380873    
 O    2.12180948       3.82905388       3.96177936    
 H    1.60798216       3.64643502       3.16393924    
 H    1.81307018       4.68644238       4.27504063    
          69
 Energy    -249.45703198154686     
  O     19.61559459     12.59595291    -18.16272582
  H     19.15460305     12.16558695    -17.42904215
  H     14.15627906     12.11369393    -14.01655240
  O     16.83704383     18.18456657    -14.93688053
  H     20.33894567     13.09740376    -17.76583853
  H     19.96383959     16.74635630    -14.94948895
  O     16.24557082     14.10506966    -12.80715459
  H     17.42000253     18.32502483    -14.18026188
  H     19.99477556     17.78532154    -13.80590044
  O     16.05521476     13.54347650    -17.05954668
  H     17.29867690     18.52519558    -15.71200954
  H     18.33432268     12.17936845    -14.32619089
  O     16.30904051     10.37980808    -12.88473671
  H     16.96075434     13.48006119    -13.00440352
  H     19.09269081     12.75948117    -13.07778327
  O     14.38797950     11.71897696    -15.70889056
  H     15.43559762     13.58211900    -12.77988416
  H     16.28861124      9.74173090    -14.51763548
  O     21.32131933     14.40572567    -16.83060016
  H     16.48736187     13.79683356    -17.88199353
  H     16.25889606      8.61475192    -15.57901828
  O     20.94947259     18.66788953    -16.88607102
  H     16.07690832     14.30818781    -16.46312464
  H     17.67045379     19.58204448    -17.97577436
  O     18.32628679     15.74886876    -11.86115360
  H     17.07113564     10.97611754    -12.89694533
  H     18.23017799     18.14527115    -17.89223605
  O     17.70058091     14.07451021    -19.35456680
  H     15.53491124     10.94579393    -12.77520025
  H     21.68810565     15.90900241    -14.17370151
  O     21.52182531     16.65253385    -18.59539625
  H     14.92417060     10.91783671    -15.75403804
  H     22.01193776     14.68668567    -15.05302373
  O     14.13614168     12.26835115    -13.05488441
  H     14.83638783     12.37047402    -16.26444543
  H     18.57032745     18.88611533    -11.93821686
  O     20.54606753     17.35821580    -14.47217292
  H     21.55503405     15.10584977    -17.45257516
  H     18.47750406     17.39408789    -12.34034087
  O     18.28318776     12.32452636    -13.37141000
  H     20.48500170     14.68769674    -16.42525261
  H     21.01944376     14.20855131    -12.98258821
  O     16.27885454      9.56181157    -15.47531411
  H     20.94961442     18.31027258    -15.98644272
  H     20.95249522     13.50652174    -11.60879162
  O     18.13404055     18.97769750    -17.40022577
  H     20.04582959     18.96742568    -17.04097191
  H     17.48874892     10.90347266    -15.96426718
  O     22.03557182     15.00639185    -14.14279964
  H     17.51991150     15.25239409    -12.05097602
  H     17.30948635     12.38420268    -16.37846970
  O     18.60238462     18.29716531    -12.68685821
  H     19.05827995     15.13120928    -11.97497697
  H     18.09676616     15.48242437    -15.57689178
  O     20.41262345     13.81385985    -12.33293322
  H     18.41449439     13.52170902    -18.98535069
  H     18.85732044     15.94405852    -16.83753665
  O     17.96388329     11.73661095    -16.07804910
  H     17.47610864     13.70509677    -20.20450560
  H     18.32143465     15.74283960    -18.94885993
  O     18.98097947     15.58312121    -15.94988882
  H     22.21124687     16.88253734    -19.21222725
  H     19.66066754     16.53059490    -18.75824456
  O     18.70802021     16.55293635    -18.59127760
  H     21.41807890     17.41093041    -17.99134897
  H     16.21838699     15.10620218    -14.31957227
  O     16.32044906     15.51571560    -15.18884502
  H     13.22253723     12.21805900    -12.78765899
  H     16.36758336     16.47697317    -15.07831786
          69
 Energy    -249.45694920450524     
  O     10.46391201      5.73771083    -11.94868998
  H     10.55106286      6.66769500    -12.18510705
  H     16.12479713      5.90588276    -14.30551075
  O     16.46166839      8.97339391    -13.63332262
  H     10.71454735      5.25138962    -12.74300872
  H     13.88073749      4.94978424    -12.04609552
  O     17.67078666      4.98319234    -13.76340392
  H     16.00646363      9.20295038    -12.81086661
  H     14.70480682      6.08762402    -12.69173219
  O     17.08371294      8.22153217     -9.83187816
  H     16.21502454      9.64111877    -14.28531964
  H     11.97597545      5.37632484     -9.11602600
  O     11.48654318     10.90636352    -13.73772710
  H     17.92899649      5.71606042    -13.17728151
  H     11.12262495      5.07808276    -10.38502115
  O     13.14668790      6.63834954     -8.23410368
  H     18.44937574      4.74352369    -14.25980565
  H     14.54957457     10.40625941    -15.61001789
  O     12.70066635      6.97598541    -14.86948586
  H     17.60318719      8.78021877     -9.25847669
  H     15.64393011     11.37136081    -16.12772093
  O     16.02719200      2.88930795    -12.69435012
  H     16.44330061      8.80121121    -10.27776090
  H     12.93729302      7.69511133     -9.77877151
  O     14.13537028     11.58379360    -12.85956480
  H     11.33823681     10.02280292    -13.35810350
  H     13.39428995      7.17910367    -11.16146240
  O     15.72904780      3.07509072     -9.91911046
  H     10.64540536     11.35538082    -13.72617929
  H     17.77670748      7.89346709    -12.84929917
  O     15.52996309      5.89235028     -9.41439999
  H     14.01925881      6.32976383     -8.53290525
  H     17.95667011      7.44082299    -11.39733040
  O     15.38713104      6.52820489    -14.32031235
  H     13.19406025      6.73145765     -7.28640774
  H     14.83454998     10.43109993    -11.68293501
  O     14.26404886      5.81833915    -11.87630447
  H     12.25566549      6.12212275    -14.79857532
  H     14.40643219      9.09729112    -11.01222979
  O     11.54866471      4.67315335     -9.61518611
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  H     16.07489102      2.91185482    -11.72627775
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  H     13.20555475     11.44672058    -13.08045742
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  H     11.89677351      8.30101480    -12.01693210
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  H     13.11434439      2.86685283    -11.82102484
          69
 Energy    -249.45605703563885     
  O     -2.47869756      4.98589244      3.35413447
  H     -2.41732267      4.63082647      2.45880333
  H     -2.86686979     -3.71135720      3.16796705
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  O     -4.32110479      0.35251692      0.59446413
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  H     -4.01942117      4.75978618      4.13381086
  O     -0.05395346     -1.32845407      1.04809502
  H     -1.85456401     -1.31300436      3.76954618
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  O     -4.39826390     -0.27942693      6.02082543
  H     -4.66782486      1.20193028      0.29731804
  H     -3.40372001      3.45964764      0.59282723
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  H     -5.75889063      3.42432834      3.35027358
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  H     -1.95578541     -3.33194603     -0.54492465
  H     -6.20779485      1.95894786      3.09264324
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  H     -5.55829365      2.97490032      1.07014249
  O     -2.67021523     -4.33850413      2.46080349
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  H     -3.74081840     -1.64658483      4.88067411
  O     -4.82663871      4.48808858      4.60785292
  H     -4.60087114     -0.33049334      6.95175521
  H      0.82852582      1.55214425      2.86116352
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  H     -6.08426025     -0.42848531      3.24908927
  H      0.11572072      0.65098727      3.88051444
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  H     -2.50551400      2.54338118      5.37375793
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  H     -0.29827968      3.75616110      5.73930536
  H     -3.99537113      2.95321090      5.23809578
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  H     -5.26535775     -4.56964884      0.00715905
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  H     -1.27648011     -0.58985299     -0.05421707
  H     -4.09124050     -3.56430389     -0.06755225
  O     -3.40892075      2.19780835      5.37667733
  H     -1.54292563      0.66515696     -0.91075471
  H     -1.31094268     -4.18043648      1.37218785
  O     -4.75754326     -3.95320407      0.52746840
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  H     -0.13376465     -4.84197156      0.61592035
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  H     -5.01013446     -0.98865740      1.50805221
  H     -3.47899545      0.98590938      2.13452671
  O     -2.81193893      1.38139026      2.71149242
  H     -3.44370315     -4.33628497      1.88249142
  H     -3.22788928      1.63412819      3.54331204
          69
 Energy    -249.45582082771347     
  O     -6.24976421      1.54184111      0.47568994
  H     -6.39398415      1.85834460      1.37651078
  H     -3.88942148     -0.67605761      4.30326677
  O     -5.07627031      1.47371665     -3.81626071
  H     -5.91477232      0.63667489      0.55532273
  H     -0.33771088      3.71050840      0.13711309
  O     -6.29894218      2.29248622      3.17800925
  H     -4.35057683      1.99766944     -3.43606725
  H     -1.35429743      4.78824576      0.58946139
  O     -1.08265663     -1.54019031      2.81291708
  H     -5.18716452      1.77563607     -4.71451954
  H     -5.00129151      2.71773150     -0.06719445
  O     -2.68731955     -1.32713217      0.51840433
  H     -5.47465150      2.78844574      3.33101754
  H     -3.85526116      3.11350981     -1.07323988
  O     -4.30918441     -1.18713714     -3.10330108
  H     -6.96716638      2.69469928      3.72647662
  H     -1.01572502      1.70148371      0.58373552
  O     -5.43843078     -1.13074874      0.75040173
  H     -1.73439120     -1.41730280      3.51443565
  H      0.36905903      1.49065783      1.19350063
  O     -1.83341791     -1.61876752     -2.12853523
  H     -1.59243880     -1.61888074      1.99522953
  H     -6.98944656     -0.91722784     -1.84011689
  O     -3.02992735      2.82922875     -2.65618195
  H     -2.66941633     -0.36934801      0.67801124
  H     -7.43046980     -2.40074795     -1.90336787
  O      0.53940744      0.64154854      2.92640834
  H     -2.34051690     -1.48092008     -0.36884864
  H     -1.04556543      1.48487853      3.61901302
  O     -0.99737667      1.10119654     -2.14463330
  H     -5.08940372     -1.52325403     -2.64666350
  H     -2.31885716      0.87477202      4.25637825
  O     -3.02889979     -0.75761300      4.75339643
  H     -4.54001626     -0.30142185     -3.40890950
  H     -5.72693856      0.49298692      3.43702826
  O     -0.64802713      4.60725763     -0.04143756
  H     -5.88849645     -1.51032049     -0.01331846
  H     -5.46425858     -0.76097177      2.57369112
  O     -4.21609613      3.26841191     -0.18946260
  H     -4.49154426     -1.30175062      0.64228227
  H     -3.24219128      2.02445595      0.74540975
  O     -0.07265209      1.86121972      0.42197941
  H     -2.71507054     -1.48947762     -2.52379976
  H     -2.58732688      1.51133210      2.07576038
  O     -6.69977099     -1.83319487     -1.67425351
  H     -1.42173028     -2.33866990     -2.59854770
  H     -3.54666681      4.56888648      0.77773360
  O     -1.96401401      1.67567213      3.84572786
  H     -2.31330935      2.19153120     -2.50891998
  H     -3.36991134      6.06022392      1.14293406
  O     -5.36319459     -0.39979926      3.46426733
  H     -2.61802690      3.70177215     -2.72880665
  H     -6.54766638      1.12773152     -2.66870737
  O     -2.68409993      1.33915979      1.13084968
  H      0.03582717     -0.18969935      2.85294965
  H     -7.01652333      1.19127676     -1.19442483
  O     -3.09564518      5.17924942      1.38790221
  H      1.34722721      0.43250504      3.38753764
  H     -3.21708803      3.03124104      3.80353081
  O     -7.21747591      0.79925968     -2.05518369
  H     -0.49774121      1.30381299     -1.34387164
  H     -3.63208467      4.22481371      2.91224187
  O     -3.96353723      3.59774116      3.56683064
  H     -1.17830865      0.15398342     -2.13408958
  H     -1.24864622      5.02084974     -1.65838774
  O     -1.66962154      5.20054638     -2.51696396
  H     -3.20343385     -1.13123547      5.61272268
  H     -1.02376335      5.68045165     -3.02861928
          69
 Energy    -249.45568167969387     
  O      9.89832397     11.86676466    -10.14219199
  H      9.83144519     11.56983846    -11.05671389
  H     15.93239062      9.03189583    -11.21856108
  O     12.25243322      6.88300381    -15.72484680
  H     10.40145047     12.69497367    -10.15094633
  H     14.11275004      7.70989298    -10.50285496
  O     13.60446435      8.07228370    -13.56971027
  H     11.39081789      6.97907533    -15.28024926
  H     14.45731788      7.64685343    -12.00338013
  O     13.29049833     12.13986943     -8.46787623
  H     12.23171159      6.05474743    -16.19570946
  H     13.16846966     15.56795302    -12.72338914
  O     12.15014211      9.68340829    -16.36249781
  H     13.26697845      7.55315904    -14.31014408
  H     14.04864067     14.41294943    -12.18209444
  O     11.28764142      8.40968599    -12.04684060
  H     13.87365973      8.93095257    -13.92511668
  H     11.98432363      9.19789609     -8.96860199
  O     14.70856217      9.75771461     -7.71099378
  H     13.46960294     11.77860102     -9.35375272
  H     13.00643295      9.47325159    -10.08946359
  O     13.72299825     10.89748814    -10.88061108
  H     12.47164908     11.71631275     -8.17793268
  H     16.62691156     10.86869069    -12.70190041
  O     15.59772635     13.72173172    -11.93532766
  H     12.92001572     10.05916401    -15.91685623
  H     17.54215417     11.47889141    -13.78964582
  O     10.97342001     10.52442715     -8.09387123
  H     12.25728690      8.72528827    -16.31284439
  H     10.50073975      9.99625893    -12.46499683
  O     12.56130782     12.09968187    -13.10048818
  H     12.09274044      8.32424254    -12.57934420
  H      9.82552315     10.69036115    -13.67166682
  O     16.34818617      9.90670847    -11.26407641
  H     11.56921564      8.37642597    -11.12682158
  H     15.09709440     12.91576490     -8.81070922
  O     14.84842187      7.62214194    -11.11690402
  H     14.11989605      9.16999250     -8.19528719
  H     16.46800887     12.24878454     -9.00747063
  O     13.12833062     14.70754132    -12.31567282
  H     14.27473769     10.61986517     -7.74860700
  H     15.10300077     10.87824487    -14.39507516
  O     12.62206474      8.76110538     -9.54917936
  H     14.64352444     10.67339019    -11.06203622
  H     13.60486951     11.16448693    -14.15554120
  O     16.64479876     11.47202647    -13.46538081
  H     13.35211444     11.33388863    -11.65695561
  H      9.06417571     10.43257104    -16.12946563
  O     10.13136120     10.83935464    -12.76839288
  H     15.79174264     13.50342327    -11.01192806
  H     10.52223101     10.03348085    -15.79931229
  O     15.94570910     13.02083214     -9.25530964
  H     15.98485287     13.02979112    -12.48066264
  H     17.87348492     10.23942844     -8.06552856
  O     14.21731368     10.57860302    -14.62850261
  H     10.34807535     10.45576967     -7.37798062
  H     16.33999393     10.13367939     -8.24854905
  O      9.62429794     10.10808276    -15.42950193
  H     10.51318626     10.97173854     -8.82950529
  H     12.28080724     13.61770161     -9.39248431
  O     17.15855967     10.47452943     -8.65074591
  H     11.64963418     11.79771863    -12.99072922
  H     12.14530907     14.34411769    -10.74524205
  O     11.64077766     14.02056918     -9.98878714
  H     12.61613812     13.04392539    -12.90922727
  H      9.67569281      8.30244457    -14.73932898
  O      9.96246927      7.45631854    -14.37268522
  H     16.74810897     10.08558467    -10.40401352
  H     10.25054469      7.64686210    -13.47023631
          69
 Energy    -249.45559468367344     
  O     16.22561413      9.70004425    -17.24441869
  H     16.62151036      9.26190461    -16.47442335
  H     19.28512475      6.13796350    -13.26489662
  O     16.33894057      5.26121358    -12.94685058
  H     15.32903964      9.92189160    -16.97303874
  H     19.52332592     10.82982914    -17.53685231
  O     17.83265901     14.13583739    -12.46645938
  H     16.39196066      5.30550647    -13.91436320
  H     20.88285391     10.63152069    -18.25373749
  O     20.11173335      8.88442690    -15.25095034
  H     17.20550166      5.53254815    -12.62574882
  H     18.27954108      8.51674544    -15.12590073
  O     16.37629217      5.83418920    -15.63719796
  H     18.59058407     13.77717402    -11.98764721
  H     17.12418792      7.46562147    -15.22244017
  O     17.64932976     11.22142243    -10.19679441
  H     17.05006844     13.82439712    -11.99381101
  H     12.99747542     10.62618538    -16.06708098
  O     15.76296228      8.86415633    -12.87423207
  H     20.24903553      9.33876087    -16.09198048
  H     14.16963005     10.67549750    -15.06695744
  O     17.57854143     12.22783908    -14.43352980
  H     20.08259288      9.55110560    -14.55185125
  H     17.28174702      8.80851426    -11.93387356
  O     19.81681506      6.15797347    -14.93824880
  H     16.92099292      5.69817910    -16.42104141
  H     18.52447882      7.90864121    -11.75237275
  O     14.05280020      6.67129848    -12.78417533
  H     15.54271233      6.27049275    -15.87049666
  H     13.86935225      7.06104863    -14.67701366
  O     18.44799141      5.70983576    -17.49430123
  H     18.45753584     11.71754983    -10.37841358
  H     13.91114489      8.21684277    -15.69537232
  O     18.99560918      6.18025291    -12.33636699
  H     17.82599546     10.32075160    -10.49620470
  H     19.92754188     11.91188973    -11.96245983
  O     20.22832044     10.18259310    -17.72657104
  H     15.12040617      8.15161280    -12.77367933
  H     20.84742672     12.72816676    -11.02633512
  O     17.32502163      8.39751691    -15.05766194
  H     16.28791286      8.68316111    -13.67160442
  H     19.06567945      9.99632207    -12.63962061
  O     13.81297402     10.19106877    -15.82864589
  H     17.70014320     13.00996888    -13.87560572
  H     18.82018401     11.15507188    -13.66476788
  O     18.18389801      8.79468170    -11.57970638
  H     16.68406927     11.90687756    -14.26657147
  H     15.09571009     13.07964799    -10.49295911
  O     14.01476612      7.26292820    -15.61042992
  H     20.09425321      7.07679432    -15.07051928
  H     16.29460551     12.15916394    -10.81475643
  O     19.93386000     12.57896223    -11.25547629
  H     19.40371463      5.88758946    -15.76501983
  H     19.00977047      8.83732680    -18.35351070
  O     19.50631089     10.65590755    -13.19559583
  H     14.83829955      6.09279232    -12.76864065
  H     17.47888050      8.69695075    -18.26345520
  O     15.62986186     12.75050392    -11.21133188
  H     13.40894638      6.27933591    -12.20145457
  H     15.23811422     10.47211807    -13.27837043
  O     18.28404105      8.21959416    -18.50281512
  H     18.69978130      5.10699223    -18.18862225
  H     15.07665117     11.93806133    -12.82579929
  O     15.01144202     11.36143486    -13.59687663
  H     18.41234777      6.59675412    -17.89456226
  H     18.01038420     12.04642624    -16.21167184
  O     18.13689056     11.74788072    -17.12207267
  H     19.58370093      5.61020488    -11.84646782
  H     17.40263264     11.14249811    -17.29347285
          69
 Energy    -249.45551628698627     
  O     12.88295316     11.98651058    -13.94309775
  H     13.76267939     12.35637274    -13.81304913
  H     14.76550223      6.33871537    -15.63056010
  O     15.03930317      6.35020461    -13.78352831
  H     12.93394420     11.48516259    -14.77087935
  H     14.35594743      9.49371174    -14.78112996
  O     17.88531568      9.42978614    -11.19660263
  H     14.40543761      6.36013233    -13.05308346
  H     14.79205534      8.16395892    -14.06882152
  O     17.58826699     11.35424545    -14.96959448
  H     15.91529884      6.50697182    -13.40627633
  H     10.59977876     10.84028226    -12.12531460
  O     12.03729413      7.81999328    -16.38159941
  H     17.82234231      9.06315005    -10.30613217
  H     11.94553413     11.00355521    -12.86895379
  O     14.73602907      7.92263459     -8.59184872
  H     17.03550552      9.85713420    -11.38706904
  H     17.33978433      6.09463676    -11.28406350
  O     13.23192885      6.71880794    -11.71847043
  H     17.63395934     10.39988868    -15.11973378
  H     17.34154762      6.51824104     -9.80337613
  O     15.50581596     10.56648868    -11.93006945
  H     18.22102691     11.50439743    -14.25118429
  H     11.47099100      8.75550594    -13.28611001
  O     16.54332119      7.98934913    -17.78292108
  H     11.84234552      7.81399377    -15.42652277
  H     12.03712478      7.34173882    -13.06041720
  O     14.51550077      5.27541044     -9.70007327
  H     11.23618502      7.55690965    -16.82657778
  H     18.85408422     10.67262177    -12.15788537
  O     17.47903889      8.57950504    -15.22248586
  H     14.19875734      8.47059116     -9.17936288
  H     20.16393058     11.37177536    -12.54749436
  O     14.58906767      6.59225261    -16.54655115
  H     14.54904196      7.00746274     -8.83469309
  H     17.72525737      7.91615179    -12.25332196
  O     14.96985708      9.10979004    -14.14377804
  H     13.54685697      6.11742684    -11.03210009
  H     17.76584773      7.49543108    -13.72491675
  O     11.42161151     10.39593970    -12.31619973
  H     13.32149171      7.61253736    -11.35723023
  H     17.80850361      8.20652164     -7.87731282
  O     17.08771129      5.80214977    -10.39915778
  H     15.56490293     11.46329962    -12.27699096
  H     16.46652520      8.12623337     -8.64276399
  O     11.59394464      7.89833096    -13.71232594
  H     15.30386937     10.00914435    -12.70099112
  H     16.41267807     11.07280330    -16.67759576
  O     19.22732438     11.36062751    -12.73034068
  H     16.83162484      7.53136452    -18.56723241
  H     16.08781276      9.83374317    -17.54449217
  O     17.59946072      7.15386877    -12.83626108
  H     15.82608018      7.45691149    -17.39222377
  H     14.17199071      9.79894749    -10.99830631
  O     17.43473376      8.13474190     -8.75138303
  H     14.44257905      4.40846438     -9.31074598
  H     12.63779190      9.69695575    -11.08555170
  O     15.76293649     10.70655723    -17.28608938
  H     15.44179630      5.38045229     -9.98353088
  H     15.96807497     13.69625501    -13.58234210
  O     13.40981143      9.31240758    -10.65198556
  H     16.60010422      8.78563065    -14.86399743
  H     16.27009721     12.29892791    -14.15920970
  O     15.63718937     12.80210414    -13.62035713
  H     17.33382453      8.29240388    -16.13220625
  H     14.10883827     10.47231853    -16.63214407
  O     13.32864691     10.31093428    -16.07973413
  H     13.69010896      6.94320021    -16.55859710
  H     12.87598558      9.51573736    -16.38298426
          69
 Energy    -249.45486545044537     
  O     11.79212996     11.56428994    -14.72910666
  H     11.83979458     11.22066891    -13.81876740
  H     18.13779907      6.10341056    -16.39345112
  O     16.23022269      7.29611179    -13.14610496
  H     10.93350391     11.96733059    -14.82557603
  H     15.59848423     12.43249426    -18.43748165
  O     18.33216170     11.30115129    -12.31772649
  H     17.19170228      7.21517804    -13.19101281
  H     15.10476383     12.04812475    -17.02549072
  O     17.32836581      9.91749918    -16.56823839
  H     15.86205814      6.73930996    -13.84479740
  H     15.52468895     10.32882211    -14.09544883
  O     12.88791843      6.75507378    -14.27353904
  H     19.01717943     11.84271048    -11.93389747
  H     15.74010963      8.77996688    -14.04084644
  O     14.95042646      8.43393653    -11.01275941
  H     18.08828944     10.63921294    -11.64549689
  H     12.03658201      9.54185420    -12.13142881
  O     15.75397181     11.89654526    -13.19201581
  H     16.90635728     10.58496831    -17.12010782
  H     12.75486472     10.83826944    -11.72051267
  O     17.75215714      7.32046770    -17.54966091
  H     16.66345545      9.69494699    -15.89832813
  H     19.32755775      7.13218075    -11.77509263
  O     17.62444895      9.41907658    -10.50153488
  H     13.64485539      6.26644869    -14.61301648
  H     20.03709099      6.71541953    -10.47583555
  O     15.02447955      6.72921875    -18.01280717
  H     12.79736274      7.53882803    -14.83541636
  H     11.69187498      7.12488025    -11.38875863
  O     15.39846210      5.79565560    -15.36059569
  H     14.03947096      8.13211744    -11.12107939
  H     12.54148192      7.31110409    -12.66622529
  O     18.22044184      5.40679209    -15.71533352
  H     15.44500102      7.99291821    -11.72073622
  H     18.90863955     10.20966281    -13.77805010
  O     15.53308529     11.70179847    -17.82853436
  H     16.68641741     11.80524505    -12.95319661
  H     18.64723865      9.79400777    -15.24631905
  O     15.43773089      9.50834323    -14.59769473
  H     15.24949677     11.74641563    -12.38200419
  H     18.84229040      6.41922514    -14.26732984
  O     12.02565837     10.49910474    -12.25368279
  H     17.71537603      8.24589171    -17.27338038
  H     19.12858565      7.91594543    -13.90346939
  O     19.37683031      7.30971198    -10.82178441
  H     16.86117622      7.10742461    -17.85545776
  H     13.54833882      9.23847369    -17.37854056
  O     12.34735092      7.68950313    -11.78980191
  H     18.25301039      8.68106538    -10.51624381
  H     14.57748333     10.06949051    -18.17065430
  O     19.16321123      9.57632385    -14.45928212
  H     16.74588130      9.02640438    -10.49132848
  H     14.64334592     10.17657913    -10.89378348
  O     18.97953376      7.02953341    -13.53383014
  H     14.60353624      6.21075227    -18.69340012
  H     14.62414453     11.41747102     -9.97359504
  O     14.07921451      9.24473007    -18.18839560
  H     14.69734440      7.64040250    -18.11771993
  H     14.87255896     12.51787391    -14.73585030
  O     14.41007031     11.12017385    -10.85455262
  H     15.19689031      6.14754756    -16.23890691
  H     13.45360251     12.32679985    -15.30382530
  O     14.34674563     12.60304181    -15.54192351
  H     16.31010740      5.48199297    -15.41828350
  H     12.42155065      9.95236592    -15.42263821
  O     12.93262769      9.17171259    -15.66511146
  H     18.70520535      4.68993770    -16.11544417
  H     13.82278575      9.30302212    -15.29840957
          69
 Energy    -249.45451612301181     
  O     17.34313627      7.96402188    -12.39842515
  H     16.86250234      8.80555173    -12.42837832
  H     14.55617630      9.46224315    -13.19353894
  O     13.44029324     12.97461142    -10.01369419
  H     17.58793238      7.73112168    -13.30088501
  H     12.82960204     10.43597440    -13.83815803
  O     17.98789608      7.57357608    -15.08597450
  H     14.11344730     12.29427285     -9.83947483
  H     11.76160471     11.30103247    -14.54328487
  O     11.66636228     10.96428993    -11.02118795
  H     13.41939912     13.54532619     -9.25011538
  H     15.92685968      8.80877881     -7.45217197
  O     15.87613648      6.71493053    -10.46186836
  H     18.15636413      6.84710388    -15.67892197
  H     16.54801389      8.94930081     -6.04448349
  O     19.18643531      8.86286838    -10.53514140
  H     17.18958349      8.02934767    -15.41101372
  H     16.18784710     11.01355919     -9.42680158
  O     20.43584441     10.73725625    -12.24170637
  H     12.14193715     11.69869973    -10.61505390
  H     14.92009407     10.12918402     -9.31754525
  O     17.89055611     10.74480700     -8.92144957
  H     11.78252873     11.07826907    -11.97138430
  H     18.56748921      7.54046071     -9.23638658
  O     12.23939634      8.49324038     -9.90402381
  H     16.35135265      7.09052448    -11.21873997
  H     17.68328258      7.58829498     -7.98108643
  O     15.82906054      9.03162615    -15.78574308
  H     16.55790858      6.59137457     -9.78555862
  H     15.81880450     13.05225785    -13.06646277
  O     13.50103189      6.79709081    -11.92419339
  H     19.76753732      9.44923901    -11.03515523
  H     17.28705033     12.78428147    -12.51693427
  O     13.87998817      8.98998374    -13.70680594
  H     18.57978919      8.48655846    -11.18981369
  H     16.17554543     11.05642080    -12.69057130
  O     12.35247603     11.28070421    -13.79437895
  H     20.04398274     10.50033891    -13.10109705
  H     15.56742674     10.47193461    -11.39306852
  O     16.75439711      8.99066748     -6.97482551
  H     21.34596736     10.96696959    -12.41020222
  H     18.99364870      9.17353760    -14.79178907
  O     15.25447200     10.96277974     -9.67536147
  H     17.62470212     10.26849340     -8.12504037
  H     18.62860613     10.64540404    -15.02970843
  O     17.97892183      7.00428512     -8.68926831
  H     18.34659351     10.09515193     -9.47736400
  H     17.14739125     12.24339952    -16.38357808
  O     16.69705961     12.69999102    -13.27996583
  H     11.96605459      9.34318078    -10.28067130
  H     16.96340515     12.06269636    -14.85899053
  O     15.83608241     10.24562722    -12.29242132
  H     12.49452737      7.93430680    -10.64559067
  H     15.07618911      7.86717010     -9.25243538
  O     19.28368163     10.07514263    -14.60962576
  H     16.14983365      9.94301145    -15.79128919
  H     13.69364034      8.48097747     -8.92344385
  O     17.11280557     11.58513595    -15.69428241
  H     15.08322879      8.99304159    -15.17418949
  H     19.17849837     11.98235760    -11.54102801
  O     14.62375007      8.47131377     -8.64810561
  H     13.14260033      5.92282724    -12.06223095
  H     18.27675972     12.10672714    -10.30706681
  O     18.45222543     12.49993124    -11.16878743
  H     14.30418023      6.67994056    -11.39142784
  H     13.85176447     13.33779934    -11.81781024
  O     14.10107804     13.32334644    -12.75036337
  H     13.67097842      8.19578203    -13.20185566
  H     13.50093620     12.69626625    -13.17198069
          69
 Ord_Energy   -249.454468    
 O    2.49074340      0.428272486       3.59185052    
 H    2.75985336     -0.474637479       3.37798834    
 H    1.91615033      0.708421767       2.86977482    
 O   0.371082723     -0.505550146       8.50661469    
 H   0.769169748     -0.322332591       7.63804293    
 H   0.838768840       3.06658894E-02   9.14155293    
 O   -4.78159380      -3.60277557       6.21278620    
 H   -5.30003738      -4.16889572       6.78007841    
 H   -3.86064196      -3.67813110       6.51415253    
 O   -4.67177868      -1.17021394       2.60307121    
 H   -4.34093761     -0.874243677       1.74127972    
 H   -5.02482414     -0.408286691       3.07653236    
 O    1.17544138      -1.78957522       1.00891376    
 H   0.293101072      -2.16360712      0.887503028    
 H    1.05642736     -0.831958354       1.02230000    
 O   -2.53696752      -4.97587633       2.10686064    
 H   -2.77099943      -5.82803679       1.75051033    
 H   -3.34101176      -4.61516523       2.52527356    
 O   0.399365067      -3.34793234       7.93388605    
 H   0.469985247      -2.45482254       8.29061604    
 H   0.873051286      -3.33160305       7.09102726    
 O   -2.00446749      -1.37518597       3.44496155    
 H   -1.74390078     -0.652559400       4.02688885    
 H   -2.94719481      -1.27769136       3.25457764    
 O   -1.14139688      -3.82001472       4.26952267    
 H   -1.48218608      -4.40447617       3.58398914    
 H   -1.44350505      -2.92948389       4.02701902    
 O    1.27122152     -0.272226840       5.92574358    
 H    1.24316275      -1.22110796       5.73385906    
 H    1.76996267      0.129605219       5.20013332    
 O   -1.31016874      0.564012349       5.30926991    
 H   -1.75631475      0.144800693       6.05751038    
 H  -0.368432939      0.395936042       5.44084978    
 O   -5.39053202      0.944654882       4.31441593    
 H   -5.21121740      0.370853692       5.08162928    
 H   -6.21900654       1.38339329       4.48766899    
 O   -4.65409708      -3.84447408       3.34797287    
 H   -4.74400854      -3.81599545       4.30697060    
 H   -4.78244066      -2.93596935       3.03907919    
 O    2.89898682      -2.36749029       2.99937201    
 H    3.68182659      -2.77239251       2.63566828    
 H    2.27668095      -2.24430799       2.25921535    
 O   0.860828459       1.03827441       1.27732646    
 H    1.31371617       1.60502791      0.655418813    
 H   -7.02924207E-02   1.30690646       1.26013517    
 O    1.32150424      -2.97675395       5.24839878    
 H   0.511838436      -3.34714317       4.86925268    
 H    1.93861282      -2.86006522       4.51449108    
 O   -1.79771388       1.86205876       1.13212514    
 H   -2.19156885       1.94819295       2.01936817    
 H   -2.08317256       2.62579441      0.636129439    
 O   -1.50505078      -2.55794597      0.985423803    
 H   -1.83331323      -3.44204783       1.18727899    
 H   -1.58644569      -2.05745792       1.81304491    
 O   -4.82215786     -0.737762272       6.35237598    
 H   -4.94953203      -1.68915021       6.25707865    
 H   -4.01920319     -0.639144123       6.87961626    
 O   -2.87849021       2.06884456       3.58588862    
 H   -3.76842952       1.77999771       3.81995749    
 H   -2.29018044       1.68666756       4.25213718    
 O   -2.25999665     -0.863409877       7.50685930    
 H   -1.45619678     -0.680066586       8.00875092    
 H   -2.21935034      -1.79957926       7.26480675    
 O   -3.30763173     -0.468097836      0.320707530    
 H   -2.69740176      -1.21776164      0.310524791    
 H   -2.77290154      0.306327462      0.532295108    
 O   -2.10816979      -3.61121440       6.84087420    
 H   -1.30153513      -3.65520835       7.37434196    
 H   -1.82460988      -3.76674008       5.92785740    
          69
 Energy    -249.45411295349538     
  O     19.89236593     11.29869367    -11.79831939
  H     20.57736389     11.37239798    -12.47123879
  H     18.39488334     14.86033160    -15.53909346
  O     14.75212303     15.51935894    -13.05220133
  H     19.48478128     12.17576171    -11.74061475
  H     14.69621067     11.27107719    -12.17459278
  O     20.71323461     14.58875570    -13.49805044
  H     14.15469791     14.87518780    -13.47422825
  H     14.34718009     10.46096161    -13.46975261
  O     16.86158034     11.13969863    -17.70512452
  H     14.24156939     16.31041324    -12.90041017
  H     18.01526542     13.17685850    -12.71696164
  O     20.26776271     12.12146478    -16.19662904
  H     21.22473727     13.77272955    -13.51602546
  H     17.81497321     14.03482857    -11.46641176
  O     15.59770866     11.34858891    -10.57560582
  H     19.96393381     14.41055298    -12.91092575
  H     12.43658183     12.79291448    -17.54958456
  O     17.06998128      8.66807901    -13.56763025
  H     17.66770454     11.21556171    -18.22929473
  H     13.52551065     11.89923628    -16.91018381
  O     21.76278999     11.88443554    -13.88587523
  H     16.52317768     12.04185157    -17.59983336
  H     18.61443212     10.28270725    -11.31146968
  O     19.37270766     11.81694370    -18.87593233
  H     19.91330010     13.01272066    -16.05461481
  H     18.19529538      9.09693681    -10.41538520
  O     13.25731323     13.60693467    -14.23575422
  H     20.12858913     11.92083625    -17.12978796
  H     16.06186998     14.17474186    -16.62010784
  O     18.22188998     10.38202215    -15.41961772
  H     15.30964076     11.17529516     -9.68189096
  H     14.89127195     13.53666163    -17.40328023
  O     19.30197944     14.71666524    -15.84171916
  H     16.40267490     10.82492362    -10.71385990
  H     15.83989061     13.34549822    -10.77392866
  O     14.40899564     11.34838948    -13.09402296
  H     17.34122684      8.99786712    -12.70382535
  H     15.60292372     14.67071844    -11.54203943
  O     18.50102989     13.66693506    -12.03740015
  H     17.58971480      9.15673036    -14.22207771
  H     16.74264472     13.87824964    -14.66011134
  O     13.20535228     12.81643527    -16.98586202
  H     22.67254763     11.65315290    -14.05740084
  H     16.06811078     15.23407424    -14.39324887
  O     17.85185981      9.74851002    -11.02185511
  H     21.31805313     11.91515629    -14.74861106
  H     14.05816084      8.02005832    -14.27175786
  O     15.83322162     13.73840526    -17.45398759
  H     19.06930672     12.74365886    -18.83893528
  H     15.43154743      8.71148133    -14.08575134
  O     16.10347274     14.27101986    -10.81886504
  H     19.77498651     11.69151967    -19.73077547
  H     17.37960985     11.60930086    -14.38340200
  O     16.63971094     14.77482802    -15.01800059
  H     13.18349544     13.41095528    -15.17650942
  H     16.05014821     11.97715652    -13.65744374
  O     14.50874243      8.85513436    -14.36404070
  H     13.55327667     12.78708110    -13.81514249
  H     18.82413654     14.61445773    -17.66498532
  O     16.92410653     12.30778873    -13.89839319
  H     19.03207287     10.88443141    -15.57037070
  H     17.47494931     14.24308246    -18.31141964
  O     18.42160448     14.31251724    -18.49130875
  H     17.67476969     10.53386230    -16.20384662
  H     14.38459250      9.79761036    -16.01713982
  O     14.30268296     10.34447263    -16.80662005
  H     19.87008950     14.83429411    -15.06588896
  H     15.18800594     10.43184203    -17.18370132
          69
 Energy    -249.45353204441011     
  O     14.42260195      9.81569122    -10.66148560
  H     14.19388277     10.36741789    -11.42080119
  H     17.62427926      4.71688029    -11.12554229
  O     13.34501850     10.64511535    -16.60141300
  H     13.68788024      9.20248975    -10.50379333
  H     12.11740339      7.59313886    -11.20742015
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  H     13.08056303      9.95988090    -15.97369735
  H     13.17568827      7.08613787    -10.20767509
  O     13.34366421      4.99168603    -12.64252972
  H     13.27534129     11.48238084    -16.12613180
  H     18.60993652      8.12765270    -15.11689928
  O     16.60849379      6.79768531     -8.57569624
  H     17.26349867     10.80768386    -12.75695132
  H     20.09668127      7.74514891    -15.18563694
  O     16.23321798     12.73308277    -15.66969403
  H     15.82494709     10.92563006    -13.35779233
  H     14.55618344     13.03479128    -15.24972310
  O     15.77479508      7.77380977    -12.08042626
  H     13.72165926      5.12897291    -11.76383416
  H     13.30184259     13.91720562    -15.03292678
  O     13.97789008     10.96465037    -13.11430540
  H     14.08976739      4.80296864    -13.22245732
  H     12.34211582      8.23674988    -14.00564243
  O     18.54721051      7.63629118    -12.03787743
  H     16.64794543      7.75886342     -8.65506254
  H     13.72761878      8.22815771    -14.69320049
  O     18.12513509     10.30921712    -11.26424705
  H     17.42243555      6.45916068     -8.96915311
  H     15.86181580     10.63102250    -18.53616256
  O     15.83743781      4.67072876    -14.09644162
  H     16.23956420     12.11625666    -16.41150972
  H     14.95084971     10.56384204    -17.28789969
  O     16.84317882      4.37952551    -11.57963727
  H     16.58626533     12.23885071    -14.91618766
  H     10.63047549      6.59933444    -13.01015694
  O     12.57889627      7.82195199    -10.39157175
  H     15.49592090      7.69669504    -13.00114352
  H     12.12611253      6.22175111    -12.89283881
  O     19.29388948      7.58272812    -14.69605838
  H     15.35335624      8.54855883    -11.68841362
  H     15.07780370      6.50671467    -11.02539571
  O     13.61463378     13.01768108    -14.99942789
  H     13.58545093     10.20711223    -13.57254948
  H     15.26175999      6.09872468     -9.55837039
  O     12.95493210      8.78449122    -14.51022185
  H     13.76562876     11.74712072    -13.63708858
  H     18.84444760      6.47273661    -10.77799051
  O     15.87862520     10.59437155    -17.58374029
  H     17.57825271      7.66222330    -12.06075350
  H     19.75232918      5.63529716     -9.84465052
  O     11.50473601      6.97123891    -12.92483739
  H     18.86394885      7.56763725    -12.94875885
  H     15.52895093      6.40310918    -14.67029711
  O     14.73784237      5.89761364    -10.34821272
  H     17.67623012     10.18431662    -10.42028560
  H     15.97382336      7.83904557    -15.14595709
  O     18.84341585      5.78070902    -10.09280862
  H     18.45851380      9.43438296    -11.50521844
  H     16.41654510     10.23976524     -8.18765689
  O     15.24663279      7.32086876    -14.77461852
  H     16.28962878      4.56397846    -13.24113709
  H     15.74326101      9.77910198     -9.49901052
  O     16.53606272      9.67129543     -8.94508571
  H     16.07916363      3.91515356    -14.62604433
  H     16.81948411      9.55959518    -16.37811632
  O     17.18523016      9.11821195    -15.60178014
  H     16.09888898      4.68577104    -11.04762068
  H     17.09508734      9.73767223    -14.86025068
          69
 Energy    -249.45331686739729     
  O     12.26018783     12.87954180    -15.38269444
  H     11.40740820     13.23201889    -15.62504480
  H     14.94150378      7.21351571    -15.98620919
  O     17.18677560      6.43006000    -13.90277906
  H     12.36569781     12.04350926    -15.86720141
  H     16.13238189     10.21752151    -14.28954760
  O     18.78016712     10.28936561    -12.96331019
  H     16.35429604      5.95913150    -13.77670026
  H     17.67823302     10.41060048    -14.29947726
  O     16.13953258     13.10137971    -13.73267808
  H     17.11747146      6.87196380    -14.75787463
  H     16.58776141      9.36665208    -19.53305162
  O     14.60133433      5.23556600    -13.60187526
  H     18.41305381     10.91671843    -12.32149072
  H     15.91880428      9.97634687    -18.27880947
  O     15.43908619     10.96007696     -9.53521242
  H     18.74583768      9.42140869    -12.54553016
  H     14.38880764     10.66994383    -12.98587072
  O     13.79686486      6.75691435    -11.51104848
  H     16.54404080     12.29794378    -14.07944482
  H     15.15824117      9.42298653    -12.40301680
  O     13.59133827     12.33073924    -12.93549210
  H     15.79305797     13.56677570    -14.50891289
  H     12.86314636      9.80403036    -17.24284917
  O     13.37889815      8.34779853    -18.19708116
  H     14.28119303      5.75862505    -12.84516808
  H     12.66624694      9.90486817    -15.72244221
  O     15.82023383      8.57980996    -10.93652153
  H     14.45761077      4.31879560    -13.38235458
  H     19.01272187      7.16451273    -11.43445892
  O     16.61209193      7.99607875    -16.20025371
  H     14.51763650     10.97570398     -9.84984763
  H     17.96174986      7.22013522    -12.56984382
  O     14.07796212      6.78673514    -15.88765975
  H     15.42275137     11.23383558     -8.62186554
  H     11.88476788      8.64897924    -12.78166214
  O     16.88250092     10.47203794    -14.85145396
  H     13.01188107      7.31515060    -11.51509815
  H     10.71508004      8.47699305    -11.78689564
  O     16.10168133      9.14203139    -18.74380267
  H     14.51955851      7.32141557    -11.20210557
  H     16.71701348     11.79262996    -10.73320929
  O     14.82775870      9.83810568    -13.21041035
  H     13.04176879     12.53917257    -13.70040045
  H     16.96075236     12.64561932    -12.00173731
  O     12.79076036     10.44149783    -16.51747513
  H     14.46315735     12.71325505    -13.11156782
  H     14.55145277     10.99408707    -16.86070660
  O     18.32624363      7.70937895    -11.80988830
  H     13.49325357      7.66205622    -17.52602162
  H     16.01702213     11.05644529    -16.34070600
  O     11.65116769      8.65611825    -11.83821003
  H     14.25987857      8.51147880    -18.55468023
  H     12.48465191     10.17098712    -10.95008389
  O     17.39771704     12.08440770    -11.35003683
  H     16.73322772      8.32663297    -11.12523874
  H     13.02379336     11.56184496    -11.35677183
  O     15.45059202     11.26036460    -17.09959920
  H     15.82131692      9.33377855    -10.33331593
  H     15.16296138     13.13993018    -16.60973822
  O     12.94623724     10.94732192    -10.61301748
  H     16.56938220      8.23110339    -17.13517613
  H     13.95552353     13.73361831    -15.87924581
  O     14.88883385     13.88998885    -16.06688862
  H     16.78637798      8.82111692    -15.72806324
  H     13.02087985      7.93165205    -14.92297391
  O     12.69642247      8.66361891    -14.38197910
  H     14.18680492      6.12985388    -15.18783711
  H     13.48484608      9.03721987    -13.95407723
          69
 Energy    -249.45331140989737     
  O     16.09777652      8.30159669    -15.90243519
  H     16.87881653      8.20027702    -15.33967737
  H     16.56583300      9.26378834    -17.31300691
  O     14.43387929     11.39694020    -15.08233808
  H     15.37181798      8.46797422    -15.29094013
  H     17.68808810     15.87014988    -13.15851039
  O     20.43890623      9.92285040    -11.16172109
  H     14.09353794     10.60059330    -14.66008140
  H     17.98247250     17.24160689    -12.51153265
  O     19.79397222     12.30156980    -12.29007259
  H     15.39284531     11.35047735    -14.95268543
  H     19.96510383     11.91426321    -15.68019222
  O     15.73926213      9.92760813    -11.70447190
  H     20.21486125     10.81104314    -11.49129609
  H     21.05155689     12.82064598    -15.02115152
  O     18.17873752      8.53277098    -14.07494805
  H     21.15850888     10.03450902    -10.54557403
  H     18.92774933      8.91522270    -11.14232902
  O     14.83522380     11.81234279    -17.81248611
  H     19.96902829     12.12581385    -13.22511695
  H     18.21552845      7.63040579    -10.66646861
  O     17.60226170     14.38708854    -16.40138265
  H     20.10969023     13.20135534    -12.12019363
  H     14.97353781     13.53663259    -17.75560543
  O     20.65904188     14.87617051    -12.25720917
  H     16.49816547      9.39826640    -11.43237475
  H     14.66328469     14.94275425    -18.32361955
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  H     16.04661439     10.84342894    -11.70677006
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  O     14.20124122      8.94570968    -13.75774108
  H     19.12070434      8.72661186    -14.19217795
  H     19.20902598     16.42279852    -14.69464892
  O     16.86161360      9.80948703    -18.06312778
  H     18.05656089      8.34823382    -13.13713190
  H     17.04051406     14.46906172    -14.62920256
  O     18.39791628     16.49692590    -12.93890417
  H     14.55180640     11.60613759    -16.91021388
  H     15.64515054     14.56775787    -13.99754441
  O     20.60310296     11.96788564    -14.95600566
  H     15.50616352     11.15490425    -18.02777869
  H     20.98487606     15.14346023    -15.22021283
  O     18.11244072      8.39572118    -11.22745146
  H     17.93277865     13.51008453    -16.63726800
  H     22.51336421     14.91476471    -15.30223764
  O     15.06785859     14.49229892    -17.58754285
  H     16.76206583     14.50924075    -16.86211768
  H     20.88193081      9.44309021    -13.06962332
  O     19.58915802     16.11812932    -15.52719000
  H     21.13679997     14.83520681    -13.09542574
  H     20.88462572     10.20048785    -14.41380184
  O     16.58910318     14.61417357    -13.78598917
  H     19.92198076     15.48368987    -12.40006110
  H     17.42925795     10.20702010    -14.33635238
  O     21.70975334     14.55910640    -14.93248687
  H     18.08523447     11.14132589    -17.37312373
  H     17.11952685     11.56653776    -13.64165203
  O     20.81202649      9.31872378    -14.02229951
  H     17.99065032     11.59068609    -15.91299876
  H     14.07720457     13.22553985    -14.84803826
  O     17.14869860     11.11797637    -14.49508663
  H     14.72819634      9.28432921    -13.01237620
  H     14.30377242     14.42672482    -15.77590905
  O     14.11734366     14.19227391    -14.85864775
  H     13.49688379      8.42706554    -13.37817060
  H     16.80128036     13.25918407    -12.54793034
  O     17.02301268     12.44905934    -12.06739360
  H     16.98770353      9.21188868    -18.79567857
  H     17.98848740     12.42460440    -12.00290950
          69
 Energy    -249.45283935051202     
  O     12.05325203      9.41217038    -10.77097541
  H     12.38328155      8.73272960    -10.17337142
  H     16.14927649      4.15934751    -12.91381938
  O     13.55359268      3.87920805    -14.73027004
  H     12.78641172     10.02742004    -10.90699307
  H     13.98714814      7.90654059     -8.76340336
  O     14.51202403     11.82722543    -13.96740289
  H     13.18515487      3.04393671    -15.00354234
  H     12.70698304      7.22297862     -8.22951882
  O     15.41841975      8.80228625     -8.36695078
  H     14.18145072      3.69048640    -14.00952169
  H     19.75648602      7.69737332    -15.10120390
  O     18.28518206     10.40634345    -10.12431275
  H     13.80163485     11.34389230    -14.40516863
  H     18.30605891      8.23161190    -15.15870803
  O     11.28180161      8.67915514    -13.30090961
  H     14.39782749     11.66759433    -13.02032481
  H     12.03649786      9.66168159    -14.48126542
  O     17.06872280     11.72004644    -14.80881084
  H     15.51773055      9.74568290     -8.54180900
  H     11.97861947     10.33732075    -15.87312648
  O     14.35966452     10.92754755    -11.33078024
  H     16.29169366      8.41743015     -8.50667957
  H     12.92196512      5.47207854    -13.97567662
  O     16.63970969      6.55023643    -11.16967123
  H     18.30425958      9.50302317     -9.78326761
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  O     17.39437482      5.63000417    -13.63809807
  H     18.40459746     10.34050487    -11.08065063
  H     14.99831572      8.46039029    -14.00840295
  O     15.56055916      5.67523901    -15.68628756
  H     11.59576792      7.76868791    -13.34549026
  H     13.89547575      8.86093941    -15.04558803
  O     15.33725934      3.69697022    -12.67813017
  H     11.45076070      8.97098430    -12.39170548
  H     13.56196110      5.94881707    -11.86050078
  O     13.19809013      7.40081614     -9.02790163
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  H     13.68359337      6.19842356    -10.33066047
  O     18.97667867      7.83971046    -14.56994842
  H     16.14345907     11.79360097    -14.51120882
  H     18.54412336      7.14217227     -8.69023207
  O     12.57108400     10.11399924    -15.16074258
  H     14.86887939     11.23728307    -10.57212006
  H     17.54641352      7.26692298     -9.86618886
  O     12.84485547      6.31512558    -13.51069724
  H     14.82966305     10.15568104    -11.68151201
  H     16.86762324     11.18098097     -9.49267561
  O     14.56817844      8.19875484    -14.83804883
  H     15.74076108      6.21321388    -11.04533790
  H     16.19774161     12.25233744     -8.59653386
  O     14.04560376      5.68508940    -11.06461305
  H     16.96933209      6.20218806    -12.01092301
  H     16.03319508      8.07956424    -11.95642954
  O     17.96597962      7.75535922     -9.13645673
  H     16.77324611      5.59230273    -14.38248978
  H     16.66591730      9.31987249    -12.62687705
  O     16.01384132     11.49044034     -9.13876464
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  H     17.99986820     10.71495409    -13.55059653
  O     15.82616554      8.86644969    -12.47500697
  H     14.85196268      5.03518908    -15.54641380
  H     18.68374080      9.31981867    -13.41846392
  O     18.31924789     10.05932950    -12.91521815
  H     15.16944114      6.54607747    -15.54097457
  H     17.04947673     10.06240157    -15.71768523
  O     17.04483818      9.13309351    -15.98199072
  H     14.91328334      4.22811221    -11.99054768
  H     16.16496297      8.80434720    -15.76601484
          69
 Energy    -249.45221466924264     
  O     -0.16491954      2.46452326     -0.00826130
  H      0.06956294      1.53723724      0.11551582
  H     -2.11074998      2.69109975     -2.85411202
  O     -0.55268090      0.35694078      3.02928659
  H     -0.82632230      2.47204559     -0.70971368
  H     -4.96971400      5.29836067      4.22767961
  O     -4.59566466      0.17561766      0.65303233
  H     -1.06866512     -0.37365610      3.39972322
  H     -4.17858856      4.46592430      3.18969841
  O     -2.41327870     -3.10934868     -0.98777666
  H     -0.28384433      0.10108747      2.13591743
  H     -3.89413589      3.92423277      0.09467761
  O     -0.11916348     -0.35505827      0.41759111
  H     -4.06426216      0.66903088      1.30039203
  H     -5.08916679      3.10833967     -0.43322808
  O     -3.74191877     -0.13015142      5.79426872
  H     -5.33900075      0.74377864      0.42102581
  H     -5.90045495      2.98479739      3.47589033
  O     -6.12490887     -0.16055460      4.52757606
  H     -2.46269915     -2.14650080     -1.10432519
  H     -6.30258888      1.48437162      3.57638593
  O     -0.26556674      2.70523861      4.39590740
  H     -2.50433554     -3.49311644     -1.85678987
  H     -3.14435167      3.22001587      1.88627045
  O     -2.53640283     -0.35533537     -1.07210312
  H     -0.94567921     -0.32325823     -0.08202835
  H     -2.22965350      4.45073087      1.81914904
  O     -4.74729046     -1.75153692      2.60227338
  H      0.09444346     -1.29510985      0.50912422
  H     -6.54427013      2.23276041      1.31537749
  O     -1.29292699     -4.14645698      3.03012532
  H     -3.42544316      0.78029216      5.70712999
  H     -7.46415555      2.19607352      0.07136802
  O     -2.24665406      2.25803149     -2.01539526
  H     -3.11519778     -0.68927527      5.31792998
  H     -1.82627725     -2.51477145      3.75935713
  O     -4.69910128      4.41012919      4.01063985
  H     -6.82072831     -0.45000545      5.11257468
  H     -3.06979535     -1.65526589      3.43605111
  O     -4.25964469      3.51839704     -0.70342988
  H     -5.30524367     -0.14771732      5.05426810
  H     -0.30500623      3.88976254      2.82734466
  O     -6.40184993      2.28375711      3.04469174
  H      0.51887446      2.71842621      4.93902638
  H     -0.26346055      3.73613448      1.28941551
  O     -3.15984798      4.18246604      1.77647620
  H     -0.26404868      1.85335441      3.92499786
  H     -3.53172631      3.22570708      4.89992658
  O     -6.55241506      2.14509387      0.34471440
  H     -2.40203052      0.47906617     -1.53919429
  H     -2.06482220      2.67773107      4.94073663
  O     -2.23379940     -1.65517967      3.92346907
  H     -3.30226586     -0.21632996     -0.49483830
  H     -4.07746628     -3.33460232      1.85645763
  O     -0.46537022      4.36193945      2.00315384
  H     -5.31679066     -1.33375197      3.25857506
  H     -3.25177056     -3.74156122      0.60900404
  O     -2.99094367      2.45316428      5.10525687
  H     -4.74723537     -1.15548047      1.83914899
  H     -0.77400324     -3.22690357      0.05228633
  O     -3.51951263     -4.03360635      1.48943385
  H     -1.14932087     -5.00362156      3.42183982
  H     -0.31679612     -3.46130015      1.50065184
  O     -0.03341808     -3.09038361      0.65662042
  H     -2.10692390     -4.21152192      2.49711909
  H     -3.21901132      1.70689258      3.37306410
  O     -3.03467611      1.48286890      2.45245205
  H     -2.98802236      2.71653521     -1.58124761
  H     -2.13602253      1.12978286      2.45349247
          69
 Energy    -249.45201993948552     
  O     16.38379388      5.09786639    -13.56492113
  H     15.76440296      4.89656955    -12.85110250
  H     17.53820209      7.21943075    -18.18540773
  O     16.60594958     11.90434509    -11.90713229
  H     17.27830583      5.13816741    -13.20375717
  H     15.84206350     11.64940390    -15.21016765
  O     17.58480581     11.99274061    -14.62592365
  H     15.64978381     11.81715859    -12.00933004
  H     15.13166836     10.38713290    -15.74769786
  O     11.82278103      8.26444415    -13.52474803
  H     16.93985472     12.12467572    -12.78531069
  H     15.38978161      8.13502371    -13.23046803
  O     17.84842257      7.27142426    -10.69101098
  H     18.31098219     12.46282702    -15.02725029
  H     16.18883200      6.90951658    -13.77082249
  O     12.47097165      5.51253851    -13.52014485
  H     17.89966991     11.09137071    -14.43907091
  H     14.84735552      6.23012308    -10.60922863
  O     13.95424641     11.37193761    -12.71960225
  H     11.40579878      9.12944811    -13.45107175
  H     16.08975451      7.09915474    -10.30081041
  O     12.23185714     10.91812875    -16.03277554
  H     12.64332641      8.33114974    -13.00888243
  H     19.15283466      6.16048920    -13.65041309
  O     15.62659222      4.99316660    -16.23556476
  H     18.29584315      6.78479582    -11.39208216
  H     19.79505410      5.14857940    -12.67316378
  O     15.28630916      8.66024211    -16.31828924
  H     18.06747102      8.20259013    -10.81500772
  H     14.00176983      3.94419020    -11.26203779
  O     12.94354621      5.29204698    -16.34893378
  H     12.07922578      6.39252903    -13.45300362
  H     13.63678724      5.00204303    -12.32793446
  O     17.32687881      7.07861472    -17.26545278
  H     12.60640418      5.35649654    -14.46218678
  H     18.52267960      9.63404955    -12.91136904
  O     14.97265150     11.25671277    -15.35344814
  H     14.30200803     11.31804449    -13.62256127
  H     17.51736421      8.90316890    -13.83520475
  O     16.07343620      7.86296565    -13.85888924
  H     12.99429959     11.38453690    -12.81151911
  H     18.65631177      7.05765981    -15.86195436
  O     15.12496365      7.06499773    -10.21400721
  H     12.26126455      9.99049965    -16.30019339
  H     19.09294770      8.02814604    -14.74724640
  O     19.01381952      5.67610888    -12.81754553
  H     13.15203952     11.19319738    -15.92463342
  H     17.73668772     10.70163345    -11.28542490
  O     14.33248021      4.72040208    -11.70676032
  H     15.91295426      4.91625732    -15.31411001
  H     19.02464239     10.45423238    -10.47006543
  O     18.31007699      9.46371402    -13.83834527
  H     16.24764330      5.59616387    -16.65794172
  H     12.30981793      8.14915835    -15.28207255
  O     19.24729211      7.14276624    -15.10456624
  H     15.55714709      8.34657039    -15.43915135
  H     12.61427405      7.13133709    -16.39925165
  O     18.44383745     10.05517514    -11.11294944
  H     14.34694577      8.44726449    -16.40140918
  H     11.49553334     11.07809564    -14.44338716
  O     12.57846668      8.07760621    -16.21051314
  H     12.58032731      4.59572513    -16.88958202
  H     10.42570895     11.59650854    -13.45308458
  O     11.21366925     11.06295763    -13.51076653
  H     13.90974618      5.16830764    -16.34427814
  H     14.43919943      8.23620546    -11.32611345
  O     14.12428406      8.65313551    -12.14235271
  H     16.61603367      7.70376610    -17.04455149
  H     14.15554623      9.61505643    -12.08673826
          69
 Energy    -249.45199079073478     
  O     15.05745141      9.34594984    -15.37574969
  H     15.60772324      9.20635967    -14.59233459
  H     13.24617775     11.51452637    -13.54987177
  O     14.95621309     13.14041443    -15.62724581
  H     14.37596283      9.97509229    -15.11403002
  H     16.56159989      8.92975911    -18.11670855
  O     19.18719860     10.86126918    -10.38059446
  H     15.66836945     12.74627297    -15.09961896
  H     16.01421761      9.54363610    -16.80620803
  O     20.38652511     12.75986696    -12.05479809
  H     14.16309005     12.66762516    -15.35448387
  H     16.36901424     13.63465801    -11.39681165
  O     13.48586231     11.92531017    -11.80563330
  H     19.25979082     10.12394950    -10.99784428
  H     16.04557714     12.68001491    -10.23054767
  O     16.81853107     11.33059841     -9.16952343
  H     19.69067218     11.58095889    -10.78280110
  H     19.88991645     10.82263410    -14.84787594
  O     16.68315573      9.36528102    -13.09453468
  H     20.81033959     13.56624802    -12.37392422
  H     21.24187731     11.49325026    -14.53751890
  O     15.94322892     12.42073907    -18.15478858
  H     20.43667308     12.12070684    -12.77959747
  H     15.69670839     10.21390327    -10.19701466
  O     19.63647029     13.46791795    -16.81489136
  H     14.25818520     12.46270257    -11.55077769
  H     14.49902873     10.38309343    -11.14944412
  O     21.24519914     15.09772627    -13.40619278
  H     12.77159208     12.20311581    -11.23689549
  H     17.04055218     13.71886040    -18.47576971
  O     18.56000705     11.02857102    -16.04180573
  H     17.68812674     11.16258184     -9.57459758
  H     17.57583991     14.83331020    -19.40719303
  O     13.10837398     11.30494372    -14.48768243
  H     16.95103320     11.32265937     -8.22551285
  H     17.98113726     15.47672408    -15.10606363
  O     16.60735870      9.70399237    -17.56280684
  H     17.59385675      9.13284159    -12.88373810
  H     19.16188302     14.54379879    -15.39911450
  O     15.63890673     13.25699784    -10.88998687
  H     16.17381128      9.39463488    -12.27017702
  H     21.30093221     13.19217858    -15.95350692
  O     20.58704177     10.87707284    -14.17759402
  H     15.50653084     12.66770162    -17.32741902
  H     21.93431270     13.74287801    -14.66841957
  O     15.16455000      9.74963749    -10.85665751
  H     16.15391558     11.48401634    -18.07234181
  H     19.95661584      8.17361849    -12.51111653
  O     17.64584246     14.48166251    -18.52405374
  H     19.07131104     13.86537319    -17.48928008
  H     19.93479799      9.59624992    -13.11095125
  O     18.82276273     15.16710963    -14.74081285
  H     19.27011903     12.58972247    -16.63579323
  H     16.76752343     11.08509685    -13.65629780
  O     21.96164939     12.99404291    -15.27460683
  H     21.61216255     15.95330457    -13.19873635
  H     17.21707157     12.57330975    -13.43588751
  O     19.45544368      8.98566178    -12.52609599
  H     20.39921221     15.25954805    -13.85676718
  H     15.82888795     14.83691599    -15.89051521
  O     16.89404760     11.94051413    -14.08833899
  H     18.01810499     10.49989508    -16.63780960
  H     16.81844725     15.31767258    -16.96447445
  O     16.47077743     15.53072451    -16.08931474
  H     17.95615304     11.39587890    -15.37665399
  H     18.70249192     13.50230914    -12.14407040
  O     17.87829189     13.92077739    -12.42634845
  H     12.17742283     11.12272153    -14.59317790
  H     18.10722495     14.45633696    -13.19798224
          69
 Energy    -249.45172221159567     
  O     -7.29484135      2.49286126     -0.44216428
  H     -6.52338772      3.00400116     -0.73004329
  H     -5.15383938     -0.33949954      4.91210466
  O     -3.87448915      2.28761142     -3.58470088
  H     -7.15605874      2.26505196      0.48175030
  H     -0.03760647      2.15864473      1.94385046
  O     -3.63704638     -1.58444197      1.99598377
  H     -4.33636093      1.50200251     -3.24338627
  H     -1.02809509      0.97278742      1.89417900
  O     -1.25837352     -0.73698745     -1.46405061
  H     -4.06076255      2.33825947     -4.51844733
  H     -2.16161751      2.70600693      1.06102417
  O     -5.11461041      0.19291008     -2.34898614
  H     -4.23249614     -2.18142909      1.52515197
  H     -3.38857983      2.07046733      0.36029827
  O     -5.28045998     -3.00999984      0.23605397
  H     -4.11548031     -1.19581017      2.73996907
  H      1.80951544      0.36400522      1.25528342
  O     -3.68795269     -2.15227399     -1.78171403
  H     -1.42903671      0.19383772     -1.66427667
  H      0.76623631     -0.76540283      1.32994642
  O     -1.62442588      2.01299107     -1.93451358
  H     -0.32160630     -0.89076254     -1.64308650
  H      2.36827136      2.93970315      1.34832534
  O     -1.11650658     -0.74049534      1.32552074
  H     -4.82364203      0.34446294     -1.43596683
  H      1.51191085      2.27517701      0.24356390
  O      1.54964912     -0.84999269     -1.62530844
  H     -6.07983508      0.17182292     -2.33032394
  H     -8.69315277      0.39638445     -2.38050953
  O     -6.48272389      1.11123085      2.01237827
  H     -4.70051457     -2.76481768     -0.50773709
  H     -7.73330106      1.15052970     -1.42528516
  O     -4.89703913     -0.10303266      4.02492971
  H     -5.45760252     -3.94314990      0.15029180
  H     -3.62262506      2.53137338      3.70127593
  O     -0.94682453      1.90588529      2.14353328
  H     -4.20892369     -1.43993298     -2.17572675
  H     -2.23051419      1.88105351      3.56220700
  O     -2.87610561      2.89309201      0.43549071
  H     -2.79474920     -1.79541281     -1.69332978
  H     -6.69536565     -1.72436157      0.42764671
  O      1.68054747     -0.57575248      1.07694860
  H     -1.97521555      2.40853506     -1.12591735
  H     -7.60113315     -0.71296776     -0.31590837
  O      1.67221118      2.30450758      1.20392522
  H     -2.28953007      2.15803138     -2.61881817
  H     -3.93751867     -0.17379121      0.76312689
  O     -7.86550087      0.31648090     -1.91510229
  H     -1.19281681     -0.76240644      0.36108012
  H     -5.11867210      0.81188208      0.79128010
  O     -3.04864173      1.84425113      4.07120574
  H     -1.91143496     -1.16174732      1.67731953
  H     -4.64715970      3.39515803     -2.17374304
  O     -7.34567094     -1.02425702      0.56118340
  H      1.68421797     -0.82834272     -0.66043846
  H     -4.21421272      3.70024543     -0.73486685
  O     -4.32065436      0.57921395      0.29805440
  H      2.22797070     -1.41317927     -1.98723541
  H     -4.19693759      3.46310011      1.82502938
  O     -4.96953497      3.73949830     -1.33255741
  H     -6.91594264      0.35910996      1.57350953
  H     -5.48534823      2.83788948      2.38897078
  O     -4.77807922      3.45881668      2.59474062
  H     -6.03381009      0.74500204      2.78611559
  H      0.23821056      2.10919753     -1.71995461
  O      1.15903264      1.99268021     -1.45187388
  H     -4.18773169      0.56217313      4.10335531
  H      1.37868062      1.07545396     -1.65670210
          69
 Energy    -249.45153816627564     
  O     18.64745370     12.05718281    -17.84212947
  H     18.49415438     11.34341645    -18.45554291
  H     19.98953364     13.56050664    -15.68818107
  O     18.92633369     17.96495792    -15.09887271
  H     18.14013698     11.84939605    -17.03759234
  H     13.65420193     13.49423216    -12.15591571
  O     20.62286183     11.74404819    -13.56178784
  H     18.11033459     17.44284915    -15.05650619
  H     15.18534012     13.28991664    -12.25160025
  O     15.92629814     16.17481329    -12.40085570
  H     18.82849353     18.69524414    -14.47602128
  H     21.51268267     16.19959662    -14.45570308
  O     15.34130811     15.23436061    -17.13067662
  H     20.59970041     12.56784229    -13.05242344
  H     20.24669449     17.01538247    -14.14624467
  O     16.62323767     12.56998479    -11.61740517
  H     20.79934172     12.01078573    -14.47211973
  H     17.28744988     15.38508854    -11.43076060
  O     14.95210124     13.03435731    -15.32659263
  H     15.28489892     15.45399416    -12.40636761
  H     18.31999099     15.65021904    -10.31282582
  O     21.97002061     15.51807544    -16.08119376
  H     16.21313410     16.27891291    -13.31987110
  H     16.40104404     12.06369730    -15.42328977
  O     16.96445271     18.47065521    -11.14329987
  H     14.75422595     15.54178009    -17.81562659
  H     17.50118180     11.21561482    -14.67772298
  O     20.10546783     14.24113414    -12.48624484
  H     16.20131638     15.05661009    -17.55469828
  H     19.95735576     17.45674388    -18.12929068
  O     17.80245287     14.78791133    -18.15826582
  H     17.19772254     11.92572931    -12.04642969
  H     19.49330219     17.27865818    -16.66954708
  O     20.67128080     13.02585171    -16.12244898
  H     17.18778780     13.25534471    -11.23765244
  H     20.15731562     17.92610356    -10.90411550
  O     14.43400737     13.79375953    -12.61608384
  H     14.70940203     13.36567438    -14.45351108
  H     20.90172232     17.71795512    -12.25293715
  O     20.98465175     16.55446439    -13.72589983
  H     14.98053571     13.79178687    -15.92361379
  H     18.88481855     20.75012222    -12.94921380
  O     17.97470192     14.96252832    -10.89550894
  H     21.75129567     14.57865213    -16.13888234
  H     19.44062821     19.38071068    -12.48787652
  O     17.29639555     11.69400354    -15.48982397
  H     21.32653523     15.95533698    -16.65235790
  H     18.15069701     17.76381408    -10.06963503
  O     19.77341928     16.79602353    -17.46446817
  H     16.47350189     17.76068034    -11.57938605
  H     18.84992256     17.59294854     -8.69766758
  O     20.58637145     18.38977637    -11.63297410
  H     17.41241429     18.96929052    -11.83688023
  H     18.29746621      9.76946668    -12.70774624
  O     18.72899800     19.81058612    -12.99774470
  H     19.42342953     14.48968507    -11.84811814
  H     19.10796934     10.98903029    -13.20766924
  O     18.85996752     17.28647432     -9.60052645
  H     20.48900868     15.05592321    -12.84112914
  H     18.04427347     13.30152330    -14.90311629
  O     18.20642095     10.65634486    -13.04603584
  H     18.51468739     15.39442021    -17.92295169
  H     18.96701328     14.09864998    -13.91200686
  O     18.47576468     14.15068664    -14.74303816
  H     18.16012201     13.89327183    -18.11410553
  H     16.19810701     16.06168757    -15.71847907
  O     16.80697140     16.26132058    -14.99859560
  H     20.20954539     12.59135116    -16.84835122
  H     17.40945432     15.50107635    -14.92777086
          69
 Energy    -249.45125730225314     
  O     14.24045963     11.80270756    -17.03397132
  H     13.65696917     12.52071471    -17.26448923
  H     18.52283215      4.60035187    -15.11463972
  O     16.17087546      5.93264194    -13.54204222
  H     13.76638656     11.25729094    -16.38157068
  H     18.88102290      5.94651210    -11.37065806
  O     17.84936717      9.25104745    -11.59706507
  H     16.62525308      6.05906431    -12.69818963
  H     20.11741844      6.73594790    -11.82579086
  O     18.71869596      7.98064928    -17.01737637
  H     15.28786204      6.30711916    -13.42532213
  H     18.91860380     10.73865677    -18.71712027
  O     17.23245454      5.73102595    -17.93957344
  H     18.78477852      9.09130152    -11.77572953
  H     18.48874347      9.59514630    -17.77299954
  O     15.31075905      9.65031907    -10.24056597
  H     17.52223270      9.76223592    -12.35165635
  H     16.04051262      7.95495636    -15.88328983
  O     13.78794524      7.32222212    -13.05306071
  H     18.09640796      8.08600349    -16.27927737
  H     16.63210294      7.34616594    -14.58350931
  O     16.83860672     10.47475072    -13.87168535
  H     18.38739049      7.21812052    -17.50630024
  H     12.82426660      9.27973436    -15.42209212
  O     20.14604149      4.75405815    -14.19536377
  H     17.32766025      5.06866368    -18.61825809
  H     13.33733784     10.24993944    -14.33718927
  O     14.43007140      6.87845046    -10.37456327
  H     17.37944490      5.28323157    -17.08527127
  H     12.06521083      6.94209894    -16.14032170
  O     20.53012330      7.50218632    -14.87958241
  H     16.23550700      9.59784652    -10.51532280
  H     13.55902261      7.30314453    -16.30157241
  O     17.64775261      4.62901195    -15.52095116
  H     15.02383320      8.74133233    -10.09430042
  H     21.29096993      9.01694407    -12.21040714
  O     19.76721924      5.84007799    -11.74051268
  H     14.00705248      8.26362910    -12.97197574
  H     20.49364194      8.25921347    -13.29631615
  O     18.21285579     10.44880893    -18.14424138
  H     13.33611118      7.22461632    -13.89984285
  H     17.38152810      7.54253574    -11.22114923
  O     16.69192704      8.09961854    -15.18463996
  H     16.80808217      9.63102645    -14.34905759
  H     16.28773089      6.59732900    -10.65423991
  O     12.98633586     10.21086779    -15.23767752
  H     16.93575537     11.15918389    -14.54695449
  H     14.99048309     10.47631968    -18.11227240
  O     12.80216534      7.35043475    -15.69268775
  H     20.81992737      4.08112954    -14.14441122
  H     16.39638823     10.00433120    -18.52723583
  O     20.47765454      8.54332843    -12.36495926
  H     19.99233339      5.06176477    -13.28389280
  H     14.51609587     10.04410439    -11.84842415
  O     17.16841451      6.61235033    -11.04648730
  H     14.09188188      6.96001163    -11.28107443
  H     15.17419032     10.28426210    -13.22144545
  O     15.46556680      9.75082945    -18.53857959
  H     13.75210129      6.43818255     -9.86785695
  H     16.02157728     12.06959161    -16.40937964
  O     14.33906776     10.03492707    -12.79882323
  H     20.03852099      7.70411127    -15.68373823
  H     17.43649782     11.59392144    -16.78455329
  O     16.93847362     12.06404757    -16.10539163
  H     20.45429781      6.54779237    -14.75307161
  H     15.12030151      8.20285571    -17.81783383
  O     15.01311888      7.38582149    -17.30289034
  H     17.05128328      4.95166686    -14.83197899
  H     15.68467084      6.75967028    -17.59915108
          69
 Ord_Energy   -249.451187    
 O   -5.51086950      -2.05213237       3.51677155    
 H   -4.66434050      -1.64239347       3.29476237    
 H   -6.02561045      -1.34595203       3.92493153    
 O   -6.05393219       1.38367891       8.92292213    
 H   -5.31621170       1.11071908       9.48107052    
 H   -5.74599838       2.14976692       8.42192745    
 O   -1.55486143      -2.12880921       7.19897175    
 H   -2.28144765      -1.56832194       6.89398909    
 H   -1.63937628      -2.95420027       6.70148325    
 O   -3.46973300       5.72933531       6.63458729    
 H   -3.87258911       5.68740129       5.74774647    
 H   -3.55162597       6.63182592       6.93182421    
 O   -3.66028476      0.582111776       10.3287449    
 H   -3.49432278     -0.356080592       10.1250572    
 H   -3.46695971      0.702899039       11.2542086    
 O   -2.03460002       4.68690729       2.85192251    
 H   -1.46235740       5.11062956       2.21845484    
 H   -1.60064244       4.75944948       3.72189069    
 O   -4.50140238       5.33978605       4.14963007    
 H   -3.74755979       5.20663261       3.56104112    
 H   -4.94530582       4.48311138       4.21078348    
 O   -1.06472552       4.69426584       5.39239550    
 H  -0.902784705       3.77504969       5.64245081    
 H   -1.78156364       5.01721716       5.95181131    
 O   -3.04102230     -0.673741162       3.61713052    
 H   -2.92071867      0.262441188       3.41102147    
 H   -3.25657868     -0.706210494       4.56020117    
 O  -0.782447100      -2.26052761       3.83667779    
 H   -1.55047262      -1.72272897       3.59191990    
 H  -0.234173626      -1.68729353       4.38271046    
 O  -0.962717116       1.89056885       5.85948563    
 H  -0.408759058       1.10199249       5.82763052    
 H   -1.52840030       1.80147481       6.64097023    
 O   -3.21803093      -1.95610595       9.53836823    
 H   -2.49008250      -2.12551308       8.93001366    
 H   -4.02254343      -2.19799781       9.05493736    
 O   -1.93194020      -4.20434046       5.35857582    
 H   -1.59999967      -5.07579327       5.15898132    
 H   -1.51109290      -3.59211946       4.72898531    
 O   -3.75295854     -0.529421687       6.34805584    
 H   -4.30022478      -1.12520838       6.88299561    
 H   -3.48366380      0.222459659       6.89274693    
 O   -6.31089592      0.150227666       5.19692945    
 H   -6.89557362      -4.49560918E-02   5.93998814    
 H   -5.42025757      -5.10326810E-02   5.51447344    
 O   -4.80183840      -3.76545310       5.60202217    
 H   -5.08897877      -3.27554131       4.81726170    
 H   -3.87423825      -3.98583913       5.46719408    
 O   -2.68167543       2.06905389       3.65405750    
 H   -2.07144833       1.99055445       4.40204906    
 H   -2.46020055       2.89251757       3.20302105    
 O   -2.79974890       1.58267868       7.87718201    
 H   -3.46930122       2.25758076       7.68916225    
 H   -2.94954944       1.28205192       8.78194523    
 O   -7.53541565     -0.493738085       7.65411472    
 H   -7.05648279      0.196051955       8.14937210    
 H   -8.42780304     -0.507978916       7.98872042    
 O   -5.24189472       2.64939690       4.63097143    
 H   -5.77376795       1.84547508       4.68937397    
 H   -4.38071632       2.39671350       4.26786947    
 O   -4.80648327       3.34923673       7.27959442    
 H   -4.39309120       4.21984005       7.22643375    
 H   -5.03366470       3.10085011       6.37110281    
 O   0.398255348     -0.605770171       5.95111179    
 H  -0.204723477      -1.15182054       6.48232174    
 H    1.27617610     -0.754891694       6.29542112    
 O   -5.33510637      -2.27776122       7.78758001    
 H   -5.26167440      -2.90679479       7.04989147    
 H   -6.19318867      -1.84081388       7.75322008    
          69
 Energy    -249.45074314623238     
  O     13.89486391      9.26973774    -10.88125316
  H     13.81807437      9.88466707    -11.62331292
  H     16.62144217      4.38464782    -11.54747889
  O     13.99729509      9.96879476    -16.78900730
  H     14.40254266      9.67984995    -10.16904894
  H     12.19783295      6.72869746    -11.42375255
  O     16.59644997     11.18567370    -13.26604629
  H     13.62911346     10.77230405    -16.39990739
  H     12.70676789      7.93803637    -10.61723766
  O     12.81470578      5.83730121    -13.06230044
  H     13.73620701      9.24696802    -16.20414117
  H     20.66624443      8.14504992    -14.07313927
  O     15.90875136      7.35505551     -8.36778218
  H     16.93767001     11.13885474    -12.36087590
  H     19.20141285      8.57332645    -14.31231955
  O     16.01146575     12.78630602    -15.50009978
  H     15.66750734     10.92260294    -13.24103212
  H     14.26690039     12.63674956    -15.42607468
  O     15.93253976      7.64312559    -11.93011264
  H     13.58462058      5.51764307    -12.56554775
  H     12.80724693     13.14986856    -15.50535087
  O     13.86056327     10.50278301    -13.32764568
  H     12.38792068      5.06380047    -13.42489180
  H     13.18019399      7.36453327    -14.18439251
  O     18.56722017      8.23318655    -11.25791197
  H     15.17381520      6.74308777     -8.47776966
  H     14.51872196      7.80176694    -14.80658660
  O     17.51008767     10.77637944    -10.72841276
  H     16.70003571      6.89386966     -8.68193300
  H     16.74874497     10.60968702    -18.24706269
  O     18.11497059      5.59869984    -14.03779108
  H     16.31825854     12.18940335    -16.19316355
  H     15.67998398     10.31658196    -17.16918640
  O     17.56895922      4.17785446    -11.60080556
  H     16.33039084     12.40578434    -14.66919818
  H     13.22118547      5.10903099     -8.26882155
  O     12.19597132      7.11757180    -10.54212479
  H     15.23977540      8.23272190    -11.60617209
  H     13.10015742      6.12650983     -9.43056275
  O     19.76650236      7.95602352    -13.81817729
  H     15.95489454      7.67155827    -12.89553311
  H     15.37635532      6.02314315    -11.53110877
  O     13.33246171     12.36812270    -15.36044787
  H     13.72436003      9.66140672    -13.78766551
  H     14.59260303      5.13954146    -10.52268500
  O     13.59295593      8.07226195    -14.69067128
  H     13.55414852     11.19841456    -13.92146910
  H     18.03884132      5.39420530    -10.12271054
  O     16.60014988     10.60515545    -17.30525098
  H     17.64597001      8.01054298    -11.46828285
  H     18.47041203      6.85973283     -9.99914246
  O     13.72377774      5.55830798     -8.94260252
  H     19.06961852      8.14134323    -12.07519552
  H     16.79177027      8.19623086    -14.91243121
  O     14.98632150      5.14149057    -11.40517247
  H     18.02471254      9.96367291    -10.82866130
  H     16.80717199      6.68175509    -14.56020133
  O     18.13645264      6.11024331     -9.48626330
  H     16.88889921     10.60180590    -10.01184046
  H     15.72874552      9.05287592     -8.59580180
  O     16.22513501      7.44398009    -14.69948666
  H     18.03823997      5.11423560    -13.20717578
  H     15.45991771     10.42649096     -7.93561790
  O     15.57054183      9.99779551     -8.77971800
  H     18.80609107      6.26137169    -13.91491557
  H     17.62083312      9.93470356    -15.91294935
  O     17.94037681      9.61267936    -15.06075511
  H     17.64820243      3.23100346    -11.50966836
  H     17.54017119     10.17765729    -14.38075660
          69
 Energy    -249.45062655779739     
  O     13.38748077     13.29908189    -16.34259462
  H     14.13679080     12.89695800    -16.81338265
  H     14.74995137      9.38196477    -16.40321606
  O     17.65385071      7.43270906    -14.65101102
  H     12.77603671     13.60037041    -17.01087349
  H     17.79083292      8.27310593    -16.23953658
  O     14.35599783     11.44566858    -11.88170413
  H     18.11247516      7.83023986    -13.90228025
  H     18.54501476      9.41495096    -16.97571486
  O     18.01710136     15.11029826    -15.60397981
  H     16.75616781      7.25722652    -14.34142823
  H     15.29114488      8.87450164    -18.90232941
  O     14.97984995      7.48344497    -13.67598822
  H     13.72487858     11.26435262    -11.17476385
  H     16.33760229      9.15545877    -17.79320536
  O     12.45562571     10.50391948    -10.03714574
  H     13.85195255     11.44938311    -12.70828567
  H     18.47271687     14.21646671    -13.93278551
  O     13.89984722      8.19860330    -10.10240829
  H     17.04941591     15.14017736    -15.49940532
  H     18.82221483     12.82479760    -13.37260432
  O     16.35899734     11.52585206    -14.78907869
  H     18.30374966     16.01266600    -15.72141450
  H     17.76654742      9.03736390    -12.06906955
  O     12.88570511     11.32833306    -14.29324029
  H     14.13855003      7.21707707    -13.28655354
  H     19.17159873      8.55376910    -11.64042030
  O     16.03164439      9.19109777    -11.75311270
  H     14.77922774      8.14321050    -14.35828569
  H     11.83574107      6.43868173    -12.41602546
  O     19.01110121     11.10391330    -14.06260363
  H     12.11572204     10.73207111     -9.17659817
  H     12.08610559      7.96333925    -12.49940432
  O     14.60219265      9.51810689    -15.46007673
  H     12.94666592      9.66847378     -9.93741733
  H     16.74751263     13.61082013    -12.74730080
  O     17.81255476      8.79485988    -17.05547938
  H     13.44566095      7.67820842    -10.77764489
  H     15.38473062     12.92112593    -12.32177429
  O     15.45707152      9.40995314    -18.13249002
  H     14.74420327      8.45510970    -10.49446785
  H     17.45179471     12.74964605    -17.61855955
  O     18.51671644     13.70518786    -13.11484329
  H     16.09488864     12.24736048    -14.20565832
  H     18.32839353     13.71687181    -16.80393863
  O     18.67572183      8.88974128    -12.38262089
  H     17.28272654     11.33043274    -14.58677315
  H     15.97959750     11.96840736    -16.49837526
  O     12.51975590      7.10114851    -12.36841829
  H     12.93083787     12.08679750    -14.88575564
  H     15.55757758     11.24278565    -17.80143632
  O     15.79025216     13.57775403    -12.90010147
  H     13.37290271     10.62006837    -14.74119166
  H     11.77543660     10.22523426    -13.21502753
  O     18.36820591     12.95788103    -17.40056549
  H     15.67871495      8.58795001    -12.42497289
  H     11.62047366      9.98053031    -11.69944607
  O     15.65361891     12.11684364    -17.40155988
  H     15.53861153     10.01949934    -11.82473831
  H     14.61208819     14.61679058    -15.57915647
  O     11.44042102      9.59387772    -12.56571222
  H     19.42555034     10.89986012    -14.91065066
  H     15.40170920     14.66242106    -14.26202280
  O     15.33444238     15.07415475    -15.13825216
  H     19.01804081     10.31283964    -13.50941221
  H     19.34679702     11.58236070    -17.00090651
  O     19.83245285     10.78664500    -16.71590406
  H     15.27925610     10.14842707    -15.16417908
  H     20.67081824     10.79748010    -17.16952677
          69
 Energy    -249.45029041172978     
  O     17.69933068      8.01044933    -16.11556686
  H     18.30987644      8.18279598    -15.39023368
  H     17.35786231      9.34924185    -17.28346779
  O     14.89665595     10.25066604    -11.36289721
  H     16.93350296      7.58538300    -15.70881640
  H     14.18095142     10.54231601    -18.82748930
  O     17.48938947     15.48228378    -13.94234515
  H     14.51119751      9.71569487    -10.65909000
  H     15.48772293     10.50552099    -17.99227574
  O     15.40628878      7.24875493    -14.60961890
  H     14.20029003     10.39172525    -12.02156513
  H     18.05788639     13.08330672    -12.24131365
  O     13.69013725      8.38572913     -9.64517546
  H     18.02348358     14.78499018    -13.51803645
  H     19.05895482     12.75142928    -13.36641518
  O     15.24733827      6.53057991    -10.88644018
  H     18.00978270     16.28130280    -13.91493202
  H     13.75844882     13.88149126    -13.49356419
  O     16.34947933     11.46325268    -14.39258854
  H     14.71881113      6.72894134    -14.17672779
  H     13.64905504     13.22525828    -14.87212381
  O     12.91948080     10.60315651    -13.28045443
  H     14.98479010      8.05722051    -14.94234011
  H     19.83685390      8.16312679    -13.31093083
  O     16.75837370      8.39357619    -12.46719792
  H     13.55165165      8.22012769     -8.71701663
  H     18.36538394      8.62307516    -13.20657452
  O     19.14437763     11.37051313    -14.58252253
  H     14.25498079      7.66651299     -9.98081483
  H     12.80781999      5.31017417    -13.19135672
  O     14.46779991      9.68579203    -15.37697216
  H     14.67623818      6.19537319    -11.58985304
  H     12.89303304      6.78811647    -12.74135454
  O     17.13262270     10.11056673    -17.83851984
  H     15.92846617      7.05233590    -11.32930676
  H     15.86852785     15.17904744    -13.11308791
  O     14.53998382     10.74117338    -17.96814158
  H     17.29725280     11.39476208    -14.56003272
  H     14.83607087     15.72181273    -12.10247599
  O     18.79273189     13.45031629    -12.75322369
  H     16.26490728     11.82964164    -13.50423548
  H     16.48601058     13.89625509    -16.59052367
  O     13.23374817     13.25152400    -13.99978291
  H     12.89014151     11.55575355    -13.44985338
  H     17.46241162     14.67977049    -15.70093778
  O     19.17563848      8.70137901    -13.73880000
  H     13.33592145     10.21109736    -14.06126073
  H     15.77490737     13.30204866    -11.87586879
  O     13.42014221      6.02480184    -13.03895208
  H     16.19207538      9.09507936    -12.12103840
  H     15.81571201     11.78944884    -11.45238286
  O     15.08726703     14.94019275    -12.58953540
  H     16.29529058      7.99497396    -13.22029323
  H     15.44595248     12.48949295    -15.60413890
  O     17.40181093     14.20308854    -16.53591468
  H     19.26912391     11.51321231    -15.52940741
  H     14.69231048     12.31664043    -16.94354462
  O     16.34809571     12.53348805    -11.76700136
  H     19.28338582     10.43838407    -14.37276760
  H     12.21709014      9.05187919    -12.48910350
  O     14.91976411     12.96591180    -16.26640727
  H     14.35019504      9.95403969    -16.29596066
  H     12.47747910      8.30144603    -11.16556338
  O     12.11401417      8.19531390    -12.05311380
  H     15.18769493     10.23016915    -15.02025185
  H     18.48515856     12.92516976    -17.03388503
  O     19.04651906     12.16115575    -17.25901400
  H     17.81530156     10.77531199    -17.69947702
  H     19.67888952     12.46470425    -17.90478238
          69
 Energy    -249.45027993033136     
  O     -2.28850723      4.25515080      3.90448350
  H     -2.38551104      3.83934283      4.76932338
  H     -0.08476212     -1.44174271      2.15999170
  O     -2.11299541      2.69885273      1.67210517
  H     -1.37484482      4.56619071      3.86606548
  H     -3.69576834     -0.57558648      1.60873876
  O     -2.12345339      2.96902124      6.47974841
  H     -2.33071818      3.29121903      2.40739056
  H     -3.81313626     -0.15389050      0.14555110
  O      1.98310066     -2.49498879      0.36324544
  H     -1.15752310      2.76462439      1.54384031
  H     -1.98185598      1.19247873      5.91527295
  O      1.47490341      1.78064397     -0.83783944
  H     -2.38827987      3.32896018      7.32190941
  H     -0.73831965      0.44315062      5.38060532
  O     -0.74210380      0.02520635     -0.81033696
  H     -1.15889505      3.09404701      6.40853696
  H      1.06858057     -2.73493047      3.72683116
  O     -2.76481291      0.29352506      2.96268516
  H      1.66329810     -2.77467284      1.23124198
  H     -0.09365614     -3.44239493      2.98390389
  O      3.30285005     -0.11512011      0.39476595
  H      1.24748759     -2.63366820     -0.24544748
  H     -0.44749054     -2.90431592     -2.19330541
  O     -1.39290961     -2.43898804      5.64694510
  H      2.17659494      1.19762082     -0.52327018
  H     -0.51628937     -1.68226684     -1.24853329
  O     -2.38176070     -3.19600605      0.72942871
  H      0.71569713      1.20124285     -0.98790630
  H      0.87393994      2.29675119      5.82561950
  O     -1.85200266     -3.95417616      3.24430587
  H     -0.60399801     -0.17606738      0.12934974
  H      0.66217240      3.70952193      5.21714729
  O     -0.38437004     -0.57206809      1.86693247
  H     -1.56750867      0.52090606     -0.87177168
  H      1.03222709      0.31444836      2.36113853
  O     -3.93620296     -0.90758209      0.73177821
  H     -2.59388538      1.16703491      2.58310833
  H      2.50916812      0.52606237      1.96674600
  O     -1.69651754      0.37079812      5.49725129
  H     -2.49458272      0.32580707      3.88969490
  H      0.33818035     -2.39414720      5.68710753
  O      0.73166064     -2.95619942      2.85015360
  H      4.21620377     -0.26789221      0.16783686
  H      1.72560631     -2.81956786      6.23143058
  O     -0.35935386     -2.64154001     -1.28033086
  H      2.85678200     -0.97970921      0.34711009
  H      1.46369657      0.65746325      4.35529513
  O      0.53750960      3.18266665      6.01613991
  H     -1.69385662     -1.52083069      5.63710122
  H      1.29677785     -0.40116533      5.46687290
  O      1.84661622      0.77708451      2.62145083
  H     -1.71489349     -2.86230085      4.84163240
  H      0.62582071      4.22493706      2.80596833
  O      1.30001113     -2.28556972      5.56604146
  H     -1.71775705     -3.09755214      0.04001750
  H      0.99108079      5.57923157      3.44996382
  O      1.11459380      0.52072444      5.24845427
  H     -2.97660264     -2.43435157      0.65665195
  H     -3.59316278      2.15015091     -1.16020106
  O      0.53130850      4.75888057      3.61185954
  H     -2.21660197     -4.82552668      3.37623889
  H     -2.82783680      2.02686866      0.17562123
  O     -3.10587689      1.53642039     -0.61656924
  H     -2.10094119     -3.68686836      2.34045968
  H      1.11051014      2.31591713      2.01636251
  O      0.68904077      3.01192874      1.49201739
  H     -1.23836362     -0.38516171      2.27769854
  H      0.93474523      2.80143870      0.58028872
          69
 Energy    -249.44991771999511     
  O     -0.09098579     -0.44934280      5.49116012
  H     -0.01616604     -0.01999371      6.34029230
  H     -2.12599714      2.44347558      2.72410405
  O      3.11501704      0.73677594     -1.16448074
  H     -0.40752938      0.22394580      4.86545994
  H     -4.57933533     -0.28317978      3.68422090
  O     -2.36014154     -2.21805876      5.12687842
  H      3.23040001     -0.22193019     -1.19462789
  H     -3.76452936     -1.49869828      4.31318097
  O      0.39296712      0.81586477     -0.26820811
  H      2.16647802      0.87919463     -1.05376560
  H     -1.32157099      0.60785287      2.91975244
  O      3.29813631     -2.08852855     -0.74885171
  H     -1.54470435     -1.72770232      5.27716902
  H      0.00796448      1.41200570      3.04655096
  O      4.01400938     -1.36761555      1.77979661
  H     -2.13224052     -2.99389855      4.59781497
  H     -1.01000526      1.87276500     -0.44516294
  O     -5.03259735      1.46129316      3.14702468
  H      0.32334932     -0.13871822     -0.41296065
  H     -1.71404282      3.04301088     -1.17033381
  O     -3.41918334     -3.91795884      1.20618941
  H      0.78956215      0.94109531      0.60530125
  H     -2.48788675     -0.47016755      1.10154568
  O      4.20994663      1.45999739      1.21754744
  H      3.57645152     -1.91380740      0.16783430
  H     -2.92155080     -0.96175741      2.50872211
  O     -5.70246348      0.08590236      0.67141749
  H      3.88628143     -2.75483553     -1.09409253
  H      0.31075053     -2.28232246      0.37790723
  O     -5.87477887     -2.54817999      1.77912041
  H      3.35778598     -1.44710102      2.48425277
  H      1.42675498     -2.10440566     -0.68547182
  O     -2.85602030      2.77925903      2.18728496
  H      4.21891504     -0.42728348      1.70682091
  H      1.14994982     -1.82660123      2.99769957
  O     -4.40804861     -1.23260854      3.63939066
  H     -5.60649125      2.10071519      3.56090431
  H      1.31569948     -1.08561120      4.33685639
  O     -0.85357648      1.26457496      3.46161161
  H     -4.27617146      1.95940011      2.79093823
  H      2.50463775      1.43198012      1.97322463
  O     -1.82944185      2.39624275     -0.47859671
  H     -3.01120778     -3.54021254      0.41276016
  H      1.70525546      0.29798373      2.65869493
  O     -2.16370814     -0.66495387      1.99038603
  H     -4.29781722     -3.53072133      1.27736910
  H     -1.84623908     -5.33896525      3.50508804
  O      0.48798988     -1.95836603     -0.51790235
  H      4.92626776      2.08394670      1.14233481
  H     -2.45424062     -4.26513808      2.56962093
  O      1.77897791     -1.30439948      3.52020736
  H      3.89841181      1.27478965      0.31305278
  H     -0.87657895     -1.89115324      2.02883145
  O      1.61471151      1.16172070      2.22912723
  H     -5.58248960      0.58321843      1.48925911
  H     -0.59771574     -3.33373296      2.49578145
  O     -1.85183991     -4.40311278      3.32586679
  H     -5.88291789     -0.82541922      0.93625205
  H     -2.65600794     -1.75748198     -0.96992587
  O     -0.17969173     -2.56343380      2.09330097
  H     -6.63456761     -2.98650341      2.15414174
  H     -1.30800103     -2.49492719     -0.99958644
  O     -2.26058060     -2.64019552     -0.97010486
  H     -5.39160904     -2.13895879      2.51996873
  H     -2.87538541      0.83195082     -0.63428957
  O     -3.23839090     -0.05179888     -0.51058674
  H     -2.55535894      2.72669343      1.27222094
  H     -4.15389032      0.04177814     -0.20518559
          69
 Energy    -249.44950898555186     
  O     15.78124493      6.12500133     -8.33296120
  H     14.81766977      6.03026999     -8.44885609
  H     11.70098252      6.61793547    -14.74920285
  O     12.37721454      5.31967238    -15.77186002
  H     15.96712663      5.95585228     -7.41331465
  H     16.91163435      8.49455242    -13.06203471
  O     16.05113272      6.05887332    -15.23448288
  H     12.92723608      4.72072570    -15.25022832
  H     16.09135670      9.29531706    -14.12324601
  O     15.43353328     10.90888174    -14.64425232
  H     12.98047704      5.78992513    -16.36084655
  H     13.69514549      8.32345708    -11.99049276
  O     10.81084273      6.28545017    -11.65447787
  H     16.20419141      6.87639045    -14.73865294
  H     14.71000589      7.89286517    -13.08590121
  O     16.13211285      4.60029943    -10.68752225
  H     15.51569008      6.29849889    -16.00138587
  H     13.21246520      5.46749238     -9.84195219
  O     17.97444111      8.48159026    -11.58055184
  H     15.82185664     11.76498425    -14.80019708
  H     12.54739465      6.59184822     -9.02561584
  O     13.29243464     11.12084240    -13.02726103
  H     14.69352886     11.04267937    -14.02295341
  H     17.43106282      5.00146052    -14.81910853
  O     16.41818517      2.73895599    -12.88807251
  H     10.84296774      6.67163180    -12.54043882
  H     18.72840709      4.23649570    -15.16792391
  O     13.70764816      9.40595183    -16.36003870
  H     11.53214352      5.64675689    -11.64239722
  H     13.65310501      6.06172793    -11.95385036
  O     11.36240295      9.95402432    -14.80626701
  H     16.13851920      5.02224395     -9.81905694
  H     13.65072919      4.62307266    -12.50193817
  O     11.55096125      7.34642450    -14.12970671
  H     15.25437328      4.76862702    -11.05278681
  H     14.06719527      7.80325959    -16.93645727
  O     16.30278395      8.40706241    -13.80710260
  H     18.14914877      7.52771437    -11.68905751
  H     14.32224032      6.92825052    -18.18526322
  O     13.87117831      7.66042720    -12.67189531
  H     18.81058698      8.89614005    -11.38662625
  H     14.87544898      4.79764271    -14.45548264
  O     13.17388785      5.86156214     -8.96079374
  H     13.27614876     10.68196989    -12.16620318
  H     14.95401482      3.42906281    -13.75407068
  O     18.14209962      4.45255927    -14.44744985
  H     12.54839373     10.77707332    -13.53718036
  H     17.55115259      5.40093690    -11.50763650
  O     13.50125813      5.13744470    -11.69700755
  H     16.42116309      3.17358655    -12.02625172
  H     18.37163811      5.39308729    -12.81386485
  O     14.28522110      6.90150041    -17.23272672
  H     17.10855130      3.17753415    -13.40143366
  H     11.04502833      7.39279054    -10.31467193
  O     14.32992692      4.07659217    -14.11208948
  H     14.36220305      9.94444975    -15.90021350
  H     10.53230467      8.16095723     -9.07347202
  O     18.26743677      5.85414229    -11.97418696
  H     12.86419107      9.61431932    -15.94057566
  H     15.83391633      7.81790518     -9.22543265
  O     11.32090456      7.95499295     -9.56860729
  H     10.48497000     10.22181268    -15.06617421
  H     16.53597508      8.62432578    -10.33538364
  O     15.77822615      8.63234629     -9.73887885
  H     11.31163137      9.01024123    -14.57290853
  H     12.66432882      9.09415534    -10.22857040
  O     13.38125246      9.53119847    -10.70404024
  H     12.38824763      7.48108538    -13.65850958
  H     14.21865540      9.29274675    -10.27368127
          69
 Energy    -249.44883593702508     
  O     14.57563295     12.41916705    -14.96487202
  H     15.52624675     12.32857599    -14.79756292
  H     15.05373299     12.17433450    -10.05023681
  O     19.70476098      9.91909932    -10.92227862
  H     14.16166810     11.79697942    -14.35314649
  H     20.17132703     16.69328668    -13.51861642
  O     20.17371242     12.49464013    -11.75249768
  H     19.90364413     10.85011643    -11.11563931
  H     18.86291232     16.27179837    -12.82859015
  O     13.99075873     10.57362933    -12.98604575
  H     20.34472323      9.63031557    -10.27589258
  H     20.38366721     12.10548730    -15.10769991
  O     16.93449088      9.30361801    -11.07322672
  H     20.41133494     12.30373993    -12.67256540
  H     21.57504542     12.72706453    -14.33051772
  O     17.52429882      9.25851747    -15.03005205
  H     20.65190741     13.29343511    -11.49588033
  H     16.15972328      8.53369528    -12.40829954
  O     15.58904956     12.55448165    -17.55812062
  H     14.45730863      9.74243795    -13.13050148
  H     15.35452778      7.35010484    -12.99865253
  O     18.64528588     15.12316654    -16.16069019
  H     14.40802665     10.97440843    -12.21363967
  H     15.98091660     14.25214742    -17.55135760
  O     21.46296064     14.92246241    -11.34240277
  H     16.45250082     10.10818324    -10.84223468
  H     15.78872318     15.63682106    -18.21116380
  O     19.03247310     12.41252542    -16.30612623
  H     17.87306727      9.49825540    -10.96813101
  H     20.07740805     16.03505412    -15.67400671
  O     17.51578202     10.37264581    -17.56035566
  H     16.87854612      8.79982883    -14.47827320
  H     21.14237801     17.12998365    -15.91213900
  O     15.48212972     11.71237536    -10.76658863
  H     18.39573890      9.18982077    -14.60779142
  H     17.90153183     15.22000747    -14.40564948
  O     19.76550000     16.56727116    -12.65123402
  H     15.07371436     12.42748909    -16.74813234
  H     16.47770778     15.39842750    -13.86251037
  O     20.97813313     11.96456240    -14.35892311
  H     16.19129173     11.80513831    -17.61681827
  H     22.21413841     14.55077920    -13.11501391
  O     15.69421848      8.21693831    -13.20443261
  H     17.82368407     15.27264892    -16.64662632
  H     21.92219930     15.06144569    -14.53428757
  O     16.17137474     15.20291376    -17.45330902
  H     18.87690783     14.19325229    -16.29830769
  H     19.88501999      9.41852276    -12.79175106
  O     20.85535846     16.47060225    -15.28564884
  H     21.91644827     15.39348765    -10.64900092
  H     20.42692199     10.18520927    -14.01234967
  O     17.40565004     15.35223545    -13.58770435
  H     20.82860797     15.54701932    -11.73948889
  H     17.29849401     10.97991540    -14.39615002
  O     22.33460663     14.33686021    -14.04779197
  H     18.38362210     12.35075359    -15.58342464
  H     17.33374767     12.23096499    -13.43454937
  O     19.93066041      9.39696804    -13.75414730
  H     18.72823944     11.77273020    -16.95801052
  H     14.65519380     14.28710402    -14.78471957
  O     17.22933937     11.94282939    -14.34789063
  H     17.59805476      9.69653615    -18.22811778
  H     15.25913728     15.34789639    -15.71243632
  O     14.96032124     15.20485615    -14.80663571
  H     17.48237186      9.91260365    -16.70429151
  H     18.42750394     12.99097088    -11.73909927
  O     17.49194612     13.19381503    -11.87076288
  H     16.16307419     12.31101636    -11.11705691
  H     17.43783021     14.00191952    -12.40233404
          69
 Ord_Energy   -249.448593    
 O   0.915199578      -8.10195541       2.49737811    
 H    1.81553602      -8.36217690       2.73285294    
 H   0.887603819      -7.14100313       2.59761333    
 O    6.27606249      -8.91326427     -0.957911372    
 H    7.03868151      -8.35365009     -0.767350912    
 H    5.75208807      -8.43591404      -1.61421418    
 O   0.117547408      -8.42464161      -8.45252797E-02
 H  -0.451897234      -9.18332958     -0.178536922    
 H   0.383635759      -8.38851738      0.851706386    
 O    2.37381363      -2.77259088       2.71815276    
 H    3.21884489      -3.16998720       2.99818015    
 H    2.20063353      -2.04725003       3.31171513    
 O    5.62209511      -9.90472698       1.46416795    
 H    5.85565090      -10.8290825       1.47979116    
 H    5.77467251      -9.59494019      0.553057134    
 O    1.38270390      -4.59298325      -1.61257219    
 H   0.598919272      -4.85352564      -1.10607481    
 H    1.92546487      -4.02719736      -1.04631972    
 O    6.26856232      -3.26172638      -3.48140121    
 H    6.79438829      -2.60857177      -3.93463278    
 H    5.47563744      -2.80285859      -3.14984584    
 O    4.73751926      -3.98788881       3.26713157    
 H    4.90518951      -4.85068464       3.66249490    
 H    5.09637499      -4.04210091       2.36954570    
 O    3.48755836      -6.47666788      0.926916420    
 H    3.10941935      -6.82326174      0.108662277    
 H    3.57665372      -7.20740652       1.55066586    
 O    4.78981972      -7.18641806      -2.61572361    
 H    3.90293646      -7.29583454      -2.24710155    
 H    4.69126940      -6.64424896      -3.41264367    
 O    1.24655545      -5.30218315       2.17321229    
 H    1.48443091      -4.41726303       2.47110915    
 H    2.03301144      -5.64865637       1.72637832    
 O    5.41794538      -6.63103008       4.19264841    
 H    5.81146955      -6.71915293       5.05749798    
 H    6.09779978      -6.90273809       3.54905701    
 O    3.68987489      -8.45904636       2.88389373    
 H    4.30892801      -9.05277634       2.43736672    
 H    4.20726681      -7.87818813       3.45779753    
 O    3.94081664      -2.15632272      -2.64685011    
 H    3.27955365      -2.57974553      -3.20918036    
 H    3.62189174      -2.25248837      -1.74066305    
 O    3.03538847      -2.93897843      -6.83247671E-02
 H    3.86115956      -3.42063618       9.26564932E-02
 H    2.69055772      -2.72066140      0.804417849    
 O  -0.538754046      -5.60177898       2.81077996E-02
 H   -4.30320203E-02  -5.41819429      0.839673519    
 H  -0.520835996      -6.56098366      -6.80257380E-02
 O    7.13237143      -7.62669277       2.34936428    
 H    6.71863556      -8.46293259       2.10136056    
 H    7.55898190      -7.29930782       1.54908347    
 O    4.50324726      -5.28530025      -4.58399916    
 H    3.65212607      -4.83396435      -4.51831913    
 H    5.16526794      -4.61598873      -4.37462187    
 O    5.25344133      -4.44986963      0.576176107    
 H    4.67860556      -5.21926594      0.727233589    
 H    5.82310247      -4.67378378     -0.167310908    
 O    2.27289295      -7.23764372      -1.44314349    
 H    1.53390992      -7.74378061      -1.08173084    
 H    1.95834267      -6.33239937      -1.58425844    
 O    8.26268196      -6.97673082     -0.198674649    
 H    7.77561760      -6.31896782     -0.723124087    
 H    9.17893028      -6.90724182     -0.454899907    
 O    6.64902592      -5.33693886      -1.66504610    
 H    5.98599195      -5.97705555      -1.96520436    
 H    6.63575220      -4.59964657      -2.28795385    
 O    2.10434175      -3.79083467      -4.10694838    
 H    1.75747812      -4.11269236      -3.25670648    
 H    1.34900343      -3.59474707      -4.65507698    
          69
 Energy    -249.44841393912228     
  O     13.60279873      4.88440483    -16.15093935
  H     14.28617303      4.52375876    -16.72778843
  H     17.59643719      7.68188134    -16.57521980
  O     18.24184400      6.43151570    -12.10262680
  H     13.85953060      4.68855398    -15.23899781
  H     15.46561101      7.24871537    -15.71726240
  O     16.36670157      6.65687438    -18.89986750
  H     19.08095962      6.62233566    -12.53931565
  H     16.45816179      7.48154974    -14.54290722
  O     14.31384940      6.21780203     -9.70087796
  H     17.64221686      7.15936279    -12.32547288
  H     12.90454546      8.11554239    -13.35713693
  O     14.42319309      4.64375996    -13.45674588
  H     15.71305326      7.36711866    -18.91006074
  H     11.50047553      8.58206089    -13.77359143
  O     16.44385596      8.33526943    -12.92697730
  H     17.15845688      7.03954557    -18.50491559
  H     17.02057736      1.94176578    -10.73934610
  O     17.45275592      4.57325505    -15.83083978
  H     14.08940963      6.49154200     -8.81579782
  H     16.82518816      3.13112659    -11.70768059
  O     13.83719486      3.63778369    -10.95609847
  H     15.26226579      5.99441113     -9.69352337
  H     13.56062501      6.62267165    -16.26312468
  O     19.32823897      9.30623591    -14.85977808
  H     15.37426552      4.48098436    -13.42550994
  H     13.22595883      7.97664309    -15.53703784
  O     15.72132539      4.16296919    -17.98697840
  H     14.05432383      4.20810559    -12.67404319
  H     21.37232295      7.35661345    -13.39559307
  O     19.92588755      5.90663684    -16.20864375
  H     16.43276135      9.20184018    -13.35308444
  H     20.09870736      7.97923205    -14.01310427
  O     18.32601300      7.90852568    -17.17702163
  H     15.54329898      8.08221245    -12.68055255
  H     17.58209788      4.89696815    -12.79873703
  O     16.36706792      7.07925633    -15.41467363
  H     16.95322113      4.23170395    -16.58153935
  H     17.36925029      4.08002137    -14.10700004
  O     12.41304128      8.58093171    -14.05289327
  H     17.06418165      5.44234353    -15.63977541
  H     16.87760197      4.49134210    -10.01406167
  O     16.57877475      2.78153039    -10.83363502
  H     14.69737165      3.21970758    -10.81863335
  H     17.47276941      5.83197471    -10.49345063
  O     13.73187480      7.57800340    -16.25697866
  H     13.85974699      4.45207035    -10.43901774
  H     13.76544333      9.07397435    -19.05770061
  O     20.46973949      7.16157875    -13.63548308
  H     19.11591321      8.94249843    -15.72816359
  H     14.14900655      8.37680586    -17.72845294
  O     17.18671594      4.08910113    -13.15778434
  H     18.56755600      9.84319170    -14.61267856
  H     14.13222962      6.32179761    -12.79489944
  O     16.90698310      5.43618838     -9.81753531
  H     15.93169099      5.03736963    -18.36057669
  H     14.03568067      6.93243971    -11.37356750
  O     14.50970742      8.79410304    -18.53187132
  H     15.63935261      3.56359425    -18.72401079
  H     16.64987659     11.57205046    -14.31879766
  O     14.01240142      7.15378794    -12.31325232
  H     20.18453340      6.19325345    -15.32498994
  H     16.63447237     10.49977988    -15.42970065
  O     16.77867832     10.64042382    -14.47737662
  H     19.18558031      5.29619856    -16.08753904
  H     15.83521309      9.82605943    -17.65825439
  O     16.59362305     10.15155690    -17.15798617
  H     19.01093271      7.24198743    -17.01671375
  H     17.31041640      9.53548086    -17.35511584
          69
 Energy    -249.44818151501127     
  O     16.74659119     11.46949666    -16.31831997
  H     17.45048780     11.51500781    -15.66065554
  H     18.30199387      8.17609350    -16.36270915
  O     13.87946236      6.13050589    -15.84305684
  H     17.14516660     11.10310229    -17.11722027
  H     16.88740185      8.71370189    -14.54606437
  O     17.54512529      8.06086766    -11.09575690
  H     13.79817814      6.32411140    -14.89867479
  H     16.13685524      8.22133501    -15.83042068
  O     17.92473154      5.95592425    -18.28353787
  H     14.63952572      5.54920145    -15.95556367
  H     15.05196500     11.19405987    -16.00507262
  O     13.58157904      9.48225682    -10.54884206
  H     17.03227881      7.30243385    -11.41481091
  H     13.60127302     11.68625376    -16.22568623
  O     13.71614566      7.05361281    -13.19227344
  H     17.08404074      8.37250010    -10.30739031
  H     15.11160107      6.94495019     -9.23865964
  O     16.87470818      9.83136764    -13.09680483
  H     18.56815863      5.55393360    -18.86297681
  H     15.22926350      5.88185596    -10.34655723
  O     17.60908213      5.60408259    -14.28102957
  H     18.38130517      6.68774628    -17.83481474
  H     14.25741425      7.66840363    -16.61837189
  O     12.36158783      6.88674033    -10.72408041
  H     13.70835370      9.73774935    -11.47190676
  H     14.31724987      9.24987852    -16.62167041
  O     20.28820214      9.20827150    -14.73343655
  H     13.02459757      8.69419994    -10.56962275
  H     19.07863342      6.51685202    -13.36305231
  O     16.25498938      4.52757244    -16.52554854
  H     13.12074872      6.93148220    -12.44211269
  H     19.05445074      7.50387440    -12.18147684
  O     18.98805796      8.18190343    -17.05105152
  H     13.85310158      8.00729155    -13.28485795
  H     16.59042435      5.65531780    -12.76622655
  O     16.90668327      8.07237012    -15.26728629
  H     17.20612379      9.28487682    -12.37064080
  H     15.22584055      6.32886352    -12.48096735
  O     14.11408644     10.96953502    -15.86182009
  H     17.56484489     10.44676579    -13.37140895
  H     15.76594449      9.28013902     -8.24255761
  O     14.70726970      6.13444586     -9.57187417
  H     17.36116632      6.49252446    -14.58602189
  H     14.99256094      9.10684871     -9.57064798
  O     14.71065554      8.44649420    -16.97920592
  H     17.24894357      5.01048128    -14.94814889
  H     18.20779266     10.73908082    -19.41093304
  O     19.58487118      7.21809698    -12.93525540
  H     11.59586166      6.45685113    -10.35395997
  H     17.30505523      9.57724250    -18.92779997
  O     16.01003090      5.95403268    -12.05455252
  H     13.13818027      6.54297213    -10.24641235
  H     13.98599167     10.25748860    -14.12794278
  O     15.74913138      8.77795592     -9.05271669
  H     20.08605326      8.81303591    -15.58881130
  H     15.12442406      9.87447340    -13.16178629
  O     17.92499303     10.26836809    -18.63156466
  H     20.13463320      8.51571740    -14.07276556
  H     19.36547441     12.13560113    -14.03261946
  O     14.16515750      9.81005649    -13.29354588
  H     16.06538297      3.67811739    -16.91811061
  H     19.39786031     10.65210732    -14.47444369
  O     18.81093598     11.41510575    -14.31835097
  H     16.79520205      5.01417570    -17.16759023
  H     15.63416120      8.28092491    -18.50187462
  O     16.28308522      8.19531212    -19.21827375
  H     18.79012976      8.93983382    -17.61594075
  H     16.73328514      7.35877601    -19.06293363
          69
 Ord_Energy   -249.448151    
 O   0.125827193      -1.04625356     -0.265622467    
 H   0.108026929     -0.504468322      0.532933533    
 H   0.134984806     -0.433953166      -1.01272976    
 O   -2.64345884       3.73002362      -1.91372812    
 H   -2.02690887       3.54992795      -2.63433766    
 H   -2.31219196       3.24240851      -1.14787257    
 O   -4.03611469     -0.767967463      -3.87752438    
 H   -4.21846962      -1.69061100      -3.65659499    
 H   -4.47173929     -0.268004239      -3.17346525    
 O   -5.48321104      0.515890539      -1.77943528    
 H   -4.95464849      0.516901612     -0.966645658    
 H   -5.47460651       1.41661811      -2.12599778    
 O   -5.60589933      -2.83063269       1.37279058    
 H   -5.99805212      -2.56217647      0.534794748    
 H   -4.89916801      -3.46137261       1.17030478    
 O   -3.32689142      -4.32436275      0.810339034    
 H   -2.55556011      -4.41031075       1.38324118    
 H   -3.15651226      -4.81863356      -6.60890993E-03
 O  -0.549823940      -4.05246782      -2.77676201    
 H  -0.817184329      -3.15509081      -3.04018092    
 H   -3.59939188E-02  -4.40042639      -3.50158596    
 O   0.356369227      -3.76578450      -8.69672671E-02
 H    8.98069069E-02  -4.01300287     -0.979968071    
 H   0.458830506      -2.80281997     -0.119473681    
 O  -0.942918479      -4.10641718       2.25353146    
 H  -0.472638190      -4.71694231       2.81486630    
 H  -0.433636010      -4.03722477       1.42496347    
 O   -1.29009032      -1.50811827      -3.51915526    
 H  -0.917760372     -0.719645083      -3.10596275    
 H   -2.20287919      -1.26961052      -3.71920967    
 O   -2.88634324      -5.30739212      -1.71461475    
 H   -2.05058122      -4.99935007      -2.08708763    
 H   -3.55310273      -4.71825218      -2.09447169    
 O   -1.07560611       2.77571011      -4.12582922    
 H   -1.90226305       2.39991403      -4.47907209    
 H  -0.630960286       3.19855356      -4.85511017    
 O   -4.41985703      -3.07273674      -2.41184735    
 H   -3.74314928      -2.65224910      -1.85791767    
 H   -5.26892185      -2.83636355      -2.01870632    
 O  -0.185901299      0.601875603       2.00511003    
 H   0.460614562      0.862919986       2.65515137    
 H  -0.732931435      -9.36162695E-02   2.41465950    
 O  -0.416174054      0.849140525      -2.20252299    
 H  -0.910536766       1.21855927      -1.45691812    
 H  -0.497985333       1.49176133      -2.91758513    
 O   -3.90972090      0.261571109      0.446629018    
 H   -4.17813921       3.18928584E-02   1.34321940    
 H   -3.46118617     -0.524331987       9.22412723E-02
 O   -4.48883057     -0.937853396       2.91932511    
 H   -4.93687248      -1.64282179       2.41626978    
 H   -5.02626467     -0.761646032       3.68643260    
 O   -2.64120245      -1.94496322     -0.507378161    
 H   -1.69595587      -1.75871897     -0.497585058    
 H   -2.79507589      -2.74340487       1.61959901E-02
 O   -3.48598981       1.78934944      -4.88792896    
 H   -4.13048172       2.25472641      -4.34114265    
 H   -3.64039516      0.848014951      -4.73103714    
 O   -5.09675837       3.06866050      -2.85712123    
 H   -5.63305283       3.85116982      -2.95211339    
 H   -4.24976349       3.35416555      -2.46881390    
 O   -6.67314434      -1.90848422      -1.16146815    
 H   -7.59774303      -1.94267213      -1.39549696    
 H   -6.35847521      -1.02018285      -1.39745212    
 O   -1.74910545       1.92227805       4.70898412E-02
 H   -2.56469965       1.41943717      0.188802913    
 H   -1.15566921       1.65289700      0.758176744    
 O   -1.67064774      -1.41833866       2.98751831    
 H   -1.46312261      -2.33905101       2.78920650    
 H   -2.63160062      -1.33387971       3.00704622    
          69
 Energy    -249.44786394452959     
  O     12.36012008      9.72399183    -15.97404320
  H     12.89764541     10.51856809    -16.04809807
  H     16.08950245      5.62852126    -13.51982583
  O     15.77838715      6.94619457    -12.23985668
  H     12.91880862      8.99036171    -16.27138465
  H     20.27657798      9.33807653    -12.50531333
  O     15.90668730     11.46226831    -11.21888324
  H     14.91391469      6.97714670    -11.80787973
  H     19.03024273      8.98878376    -13.35568987
  O     16.81072860     12.29893868    -15.73852661
  H     16.33732966      7.57747267    -11.76841761
  H     18.14459239      9.45237192    -16.35597372
  O     13.45508179      5.17821216    -15.24562353
  H     15.27819941     11.41675358    -10.48541540
  H     17.37644975     10.71707192    -16.73978645
  O     13.89894715     10.78132306     -9.43512364
  H     15.37294133     11.34597577    -12.02090915
  H     15.04870029      8.31332360    -15.12873395
  O     13.40203120      7.36141129    -10.86037231
  H     17.35108620     13.01165559    -16.07298891
  H     15.55210524      8.01029303    -13.67911299
  O     14.35891327     10.90429257    -13.39071644
  H     17.14947449     12.09904750    -14.84821622
  H      9.94466648      8.96404729    -14.12084306
  O     18.07002249      5.88094896    -16.04260024
  H     12.96920850      5.58389974    -14.50477597
  H     11.38320497      9.21192432    -14.63046789
  O     15.24773124      8.26318167     -8.88399533
  H     12.92705928      4.44599152    -15.55250903
  H     16.68775339      9.84604628    -10.96165907
  O     18.28203019      8.36141239    -14.78954521
  H     13.23494520     10.52791419    -10.08949285
  H     17.96894403      9.05175353    -11.28257962
  O     16.13925289      5.10257499    -14.32894179
  H     14.25639460      9.95457204     -9.09027874
  H     11.66476549      7.21868325    -13.47357431
  O     19.32657082      9.41495025    -12.53152393
  H     13.91589393      7.52883377    -10.06146525
  H     12.50156448      6.57169349    -12.34941383
  O     17.76607491      9.91922979    -17.11227332
  H     13.05276590      8.22208696    -11.13909653
  H     17.24274316     11.85847828    -12.48602745
  O     15.55581518      8.66945041    -14.38701256
  H     14.11642576     11.44594588    -14.14854168
  H     18.43225833     11.06675612    -13.04418297
  O     10.86249973      8.88248286    -13.87581155
  H     14.80282953     10.11906207    -13.74827950
  H     16.88279094      8.39695863    -17.72087966
  O     17.11712117      8.98624449    -10.83436931
  H     18.61232495      5.13637284    -16.28686983
  H     17.03243403      6.91097514    -17.33388910
  O     12.14951379      6.41860644    -13.23416971
  H     17.38388211      5.54404816    -15.43762729
  H     13.10472981     10.23984742    -12.28774065
  O     17.82535774     11.78512583    -13.25347231
  H     15.62923553      7.94581357     -8.06894056
  H     11.73745469      9.55016834    -12.34348561
  O     16.46360804      7.52852168    -17.80768420
  H     15.98944999      8.46948426     -9.47544152
  H     13.71316290     12.95176810    -16.22569428
  O     12.43398789      9.81684712    -11.73112626
  H     17.33486518      8.54517919    -14.68912090
  H     15.00562278     12.17070503    -15.90646066
  O     14.03604306     12.11993729    -15.88700657
  H     18.34878813      7.48984139    -15.20047999
  H     14.86328065      7.55884322    -17.07948989
  O     14.08304252      7.62641091    -16.50676482
  H     15.23435231      5.03617105    -14.65827467
  H     13.85640084      6.74265626    -16.19414029
          69
 Energy    -249.44767598531052     
  O     17.25609105      7.08054685    -12.78138120
  H     17.87170070      7.16017945    -13.51954891
  H     12.44318457      9.94956391    -17.45879926
  O     12.36855920     12.00002270    -12.76567457
  H     17.67805715      7.50119533    -12.01709550
  H     16.35394602      9.76389894     -8.70087589
  O     11.26969573      9.93834909    -14.08048424
  H     11.90390216     11.26018164    -13.20139405
  H     16.88494673      8.48721332     -8.01228634
  O     15.00019463      5.79396902    -11.86972671
  H     11.70152669     12.63075557    -12.50958491
  H     13.54097746     10.99152719    -11.76631299
  O     18.40965601      8.44415897    -10.69516172
  H     11.39661334      9.04026595    -13.74119644
  H     14.53898770      9.87139986    -12.16863621
  O     19.68756028      9.66570461    -12.86958426
  H     11.62252700      9.94341665    -14.97790463
  H     17.30113573      6.39306560     -8.64130655
  O     16.71373886     10.63024724    -10.38907850
  H     15.84118422      6.16935246    -12.17209265
  H     18.56563920      6.47465850     -7.75087138
  O     11.85247258      7.41334328    -13.10797135
  H     14.46599020      6.51706890    -11.50610098
  H     16.14251181     10.37182539    -14.16946540
  O     16.94305729      8.84707379    -16.29504402
  H     17.80212839      9.18563932    -10.55526315
  H     15.67679197     11.65135545    -14.88518405
  O     13.82622749      5.62932877    -14.37417159
  H     18.41495236      7.91968434     -9.88555894
  H     15.57923614      5.44649458    -10.04221831
  O     14.37547485      7.96669335    -15.86950968
  H     19.44216384      9.21555364    -12.04930728
  H     15.13891057      6.06849683     -8.70086900
  O     12.69891436     10.01675525    -16.54245585
  H     19.24807340     10.52287597    -12.82637587
  H     15.98673039      8.31149908    -13.20161983
  O     16.15944179      9.12438780     -8.00507947
  H     17.17251294     11.19547831    -11.02243296
  H     14.84002639      8.64497012    -14.20059994
  O     14.16270634     10.34667511    -11.40823263
  H     15.79044458     10.58891641    -10.68011354
  H     19.37642921      8.52091226    -14.15459245
  O     18.03409418      6.97262031     -8.36552695
  H     12.40060092      6.79367757    -13.59898694
  H     19.91632625      7.41815416    -15.09596458
  O     16.47114939     11.15941625    -14.62801320
  H     12.25396143      7.48614216    -12.23179001
  H     13.43974171      7.63756273     -9.78472301
  O     15.84372715      5.55898655     -9.12173883
  H     16.88301514      9.74323132    -15.94057058
  H     13.58073012      8.69778820    -10.90262343
  O     15.30523798      8.96088550    -13.41648554
  H     17.71918040      8.45693853    -15.87475130
  H     18.28479552     12.90122137    -12.63214510
  O     19.11199376      7.81080909    -14.76724030
  H     13.56862025      4.73617326    -14.59063961
  H     17.48539612     11.77583977    -13.32798799
  O     13.36276712      7.76973187    -10.73706392
  H     14.24944844      5.58929167    -13.50106048
  H     13.47512735     12.23604136    -14.33962462
  O     18.02910669     11.98593500    -12.54877385
  H     15.30336197      8.12519463    -16.10784504
  H     13.53865738     11.52327577    -15.70221948
  O     13.99060195     12.17642659    -15.15308903
  H     14.27256943      7.08165723    -15.49968072
  H     14.72047052      8.12128926     -7.98484893
  O     14.00646781      7.46020201     -8.03126612
  H     13.27420173      9.25514426    -16.35688118
  H     13.51884658      7.52084932     -7.21450294
          69
 Energy    -249.44755404215925     
  O     11.80307413     10.74223020    -14.36902874
  H     12.37264862     11.51401475    -14.46358959
  H     15.71439612      6.04837004    -14.66327788
  O     16.14952196      7.00182593    -13.00053578
  H     12.11593634     10.09503283    -15.01675833
  H     18.38697073      9.00941437    -13.41386426
  O     17.78932115     10.68364527    -12.74384686
  H     15.84903966      7.76082232    -13.52722451
  H     17.86074773      7.57740960    -13.57826973
  O     17.37409556     10.73723097    -15.57216622
  H     15.47802714      6.88124201    -12.31560382
  H     14.84454946     11.08008464    -17.35248319
  O     12.56772860      6.16006362    -15.37084135
  H     18.04278872     10.47360369    -11.83561242
  H     15.97011984     11.54909264    -16.41128620
  O     15.77381745      9.52932248     -8.89743049
  H     16.86863914     10.97715684    -12.68696682
  H     14.45863620      9.01422979    -15.02576018
  O     14.21483624      7.02257103    -11.00890142
  H     17.66646947     10.86308011    -14.66039209
  H     15.92656950      9.55159735    -15.01835391
  O     15.04179119     11.23580827    -12.75920571
  H     17.97523266     10.10098499    -15.98026664
  H     10.32389237      9.75229337    -11.78773233
  O     16.36657248      7.73004377    -17.41554600
  H     11.94656446      5.48200656    -15.62241317
  H     11.38999129      9.99362636    -12.88428420
  O     15.78802763      6.65630562     -8.70485637
  H     12.37445639      6.38795832    -14.44289023
  H     17.35245059      6.98791766    -11.41506224
  O     18.92668034      8.56173927    -16.46137255
  H     15.71166252      8.59594760     -8.66004162
  H     18.04911589      7.96672159    -10.45384674
  O     15.41499158      5.87655332    -15.56312560
  H     15.00022772      9.71427580     -9.44638000
  H     11.68783345      7.74873539    -12.59920271
  O     18.59728112      8.15431128    -13.81269020
  H     14.07670171      7.98041896    -10.95408586
  H     12.78608979      6.76581721    -12.16634376
  O     15.09950694     11.79362421    -16.75698142
  H     14.61576488      6.75848490    -10.17274365
  H     17.33212453      9.81830180     -9.65194220
  O     15.24550608      9.13098889    -14.47904405
  H     15.03414103     10.44709106    -13.32651251
  H     18.81901531     10.19309259     -9.45075641
  O     11.20835613      9.51634190    -12.05371535
  H     14.61878116     11.92934452    -13.27889677
  H     15.19838271      8.81637876    -18.02162115
  O     17.74833409      7.05311446    -10.53907529
  H     17.27748691      7.93510564    -17.17989925
  H     14.40102451      9.35798063    -19.23383733
  O     12.08904134      6.90030432    -12.82175098
  H     16.06557033      7.04157209    -16.80454328
  H     12.80625187      9.73259873    -11.12064224
  O     18.19976321      9.85557259    -10.09308474
  H     15.99308581      5.98904727     -8.05621133
  H     14.18750568     10.35710788    -11.43245327
  O     14.49011298      9.43260798    -18.28802571
  H     16.55475669      6.71454085     -9.30425148
  H     13.57662723     13.76412824    -14.82256777
  O     13.72272337      9.77013438    -10.81892824
  H     18.89366338      8.32526297    -15.51645133
  H     14.18975453     12.49310413    -15.45450939
  O     13.72298242     12.83463940    -14.67015673
  H     19.81550362      8.38930660    -16.75890229
  H     13.35589937      8.99494744    -16.91131942
  O     12.94536896      8.84221551    -16.05021961
  H     14.45062875      5.88164050    -15.52005693
  H     12.76725536      7.89771575    -15.95299233
          69
 Energy    -249.44707366024227     
  O     11.78934695      7.39458577    -14.64215745
  H     12.49423736      7.37235616    -15.30268659
  H     17.02736639      6.08873786    -16.05954618
  O     17.38311995      6.94208442    -13.08990740
  H     11.64832649      8.32645181    -14.43805652
  H     14.12176833     10.81850786    -16.16972548
  O     15.56596875     10.57248889    -10.95977792
  H     17.65902442      7.72088205    -12.58562708
  H     14.47526750     11.44210270    -14.80984970
  O     15.92910211     11.34474059    -13.68200954
  H     16.93713053      6.34846117    -12.47223036
  H     15.59179797      9.41589333    -14.02216457
  O     15.42549816      4.98577148    -16.17514125
  H     16.33083171     10.05543826    -11.26131883
  H     15.99122688      7.94045287    -13.70040311
  O     14.98009632      7.21164511     -8.30947456
  H     14.76302207     10.12051922    -11.25875750
  H     11.30750555      4.92323991    -12.76090450
  O     15.94891189      5.43006629    -11.27506539
  H     16.88558405     11.32030207    -13.81024992
  H     11.95571828      6.15883474    -13.42653488
  O     13.43065138      9.19199543    -12.03673587
  H     15.77499485     11.32194994    -12.72968093
  H     17.67053217      9.09275760     -8.74569473
  O     17.65528492      9.45155859    -16.09622149
  H     15.42945978      4.16147066    -16.65392424
  H     18.18230521      7.68627738     -9.08559243
  O     17.31775461      5.95661079     -8.85379794
  H     15.18065836      4.77254013    -15.25652550
  H     13.75468475      4.75152611    -13.37673566
  O     18.69314508     10.81052273    -14.01415619
  H     15.18427624      8.15471837     -8.27589640
  H     15.18952830      4.64140041    -12.83457355
  O     17.73178647      6.70235490    -15.82563430
  H     14.35681449      7.07911660     -9.03563384
  H     18.41149457      9.83072252    -12.34622607
  O     13.73182917     11.24044134    -15.39512105
  H     16.49905558      5.47247738    -10.48364978
  H     18.29991717      9.13655429    -10.90471813
  O     15.25328972      8.51629708    -13.94042103
  H     15.13667270      5.91493194    -11.06937697
  H     15.78952729     10.63572813     -7.72331594
  O     12.09922201      5.45484050    -12.76888892
  H     14.03918129      8.84687971    -12.71139386
  H     15.76201619     10.24685337     -9.21835520
  O     18.40054635      8.62327201     -9.16820976
  H     12.70498495      9.59292291    -12.52803740
  H     14.51454430      7.82053615    -15.39305868
  O     14.65175135      4.49361094    -13.62188695
  H     16.84687067      9.64577211    -16.58035083
  H     14.52589619      6.58414374    -16.32845166
  O     17.87847473      9.27690600    -11.76547747
  H     17.73179321      8.48521534    -16.07567203
  H     13.45964594      7.66813583    -11.08178721
  O     15.93717406      9.90955785     -8.32401631
  H     17.57551015      5.34912315     -8.16512862
  H     12.96930985      6.22910827    -11.28585381
  O     14.13205217      7.45765662    -16.20942922
  H     16.47635054      6.36121466     -8.57197901
  H     12.37598932     10.57892829    -14.52329726
  O     13.53198241      6.77309061    -10.72048168
  H     19.43141380     11.33742367    -14.30697689
  H     10.92049775     10.77185199    -14.03933499
  O     11.66751631     10.18231512    -13.98455363
  H     18.39117573     10.29954205    -14.78913238
  H     14.70637985      8.88680416    -17.11452212
  O     15.06826158      9.73463383    -17.42381406
  H     17.76046743      6.69290723    -14.85736481
  H     14.98247241      9.73836216    -18.37404435
          69
 Energy    -249.44678404920094     
  O     11.77429842     11.05489594    -15.55323567
  H     11.85595502     10.93555452    -14.58979220
  H     16.63642130      5.36903728    -14.28003797
  O     15.83787291      7.58817367    -12.72575781
  H     10.90313660     11.40843283    -15.71125806
  H     19.20633342      4.98938474    -13.96842455
  O     17.94072242     12.55792378    -12.63485096
  H     16.77823034      7.67555162    -12.51795462
  H     18.59695627      6.17109507    -14.75889773
  O     17.67306653      9.68457274    -16.18895835
  H     15.72714269      6.83822630    -13.32331639
  H     16.09207556     11.47179772    -18.89165924
  O     12.95906536      6.52159712    -14.16727955
  H     18.48594894     13.34013205    -12.59249692
  H     15.38467859     11.36249964    -17.52412604
  O     16.91106958     11.92706057    -10.13458830
  H     17.63719720     12.37622935    -11.73070777
  H     15.38254315     10.32774762    -14.36763098
  O     14.34771307      8.60390427    -10.73743810
  H     17.33598462     10.16179266    -16.95455596
  H     15.53183379      8.82700288    -13.94214639
  O     15.41557356     12.05559858    -13.78989768
  H     16.88240073      9.49005295    -15.66071473
  H     11.95696676      9.67127260    -12.61122633
  O     18.44920887      6.98830709    -16.27778903
  H     13.76842627      6.01372911    -14.27809464
  H     12.70802881     10.98468426    -12.31106133
  O     17.08141938      9.24505623    -10.00145263
  H     12.94349832      7.17129885    -14.88536400
  H     18.73159807      8.66087641    -12.66132391
  O     16.01270288      5.97963129    -17.32177946
  H     17.03116757     10.96177368    -10.06213839
  H     18.68136884      7.10276361    -12.62144616
  O     15.71921328      5.51184934    -14.54765348
  H     17.03592671     12.28443541     -9.25945475
  H     11.14118613      7.41296210    -11.75192114
  O     18.54809300      5.67784535    -13.91885960
  H     13.44485712      8.32778799    -10.93233626
  H     12.30840397      7.35112465    -12.76026230
  O     15.99913684     10.90863860    -18.12783440
  H     14.87803137      8.20036803    -11.44527930
  H     18.65879224     10.93357654    -13.36180032
  O     15.38698316      9.41835561    -14.69245559
  H     16.31177422     12.30171873    -13.53105207
  H     18.62043370     10.01779246    -14.60563051
  O     12.04692637     10.59118593    -12.89135421
  H     14.94242461     11.85650129    -12.97001395
  H     14.12655442      8.37110922    -17.52352533
  O     18.49027399      7.89785202    -12.10955662
  H     18.31167344      7.94440713    -16.30005808
  H     15.26709813      9.13305149    -18.22794028
  O     11.93568780      7.86574054    -12.02258782
  H     17.69501398      6.60919584    -16.74665604
  H     14.33372010     10.37564549    -11.10999357
  O     18.93806650     10.07384366    -13.69483219
  H     17.63383073      8.72802355    -10.60202271
  H     15.08848230     11.68668325    -10.83519940
  O     14.85181739      8.26622157    -18.15582830
  H     16.18432574      8.89502422    -10.06469212
  H     14.70188007     12.28000315    -15.50743466
  O     14.34295080     11.32148108    -11.32372628
  H     15.86491947      5.32036896    -17.99470644
  H     13.40852809     11.82710852    -16.19737988
  O     14.30099484     12.14634750    -16.37666094
  H     15.61255647      6.80427264    -17.65046203
  H     12.52415089      9.37888689    -15.96313330
  O     13.12407450      8.62583040    -16.00796292
  H     15.74916741      5.67264576    -15.50118402
  H     13.93912741      8.91220515    -15.56206242
          69
 Energy    -249.44654929171946     
  O     12.60812306     11.32863165    -14.12146483
  H     12.72789225     10.50157531    -14.61014277
  H     20.92889324      6.99147338    -14.08802171
  O     16.19506436      6.76254738    -12.86221812
  H     13.27161805     11.92826670    -14.47982434
  H     16.15038692     11.88308763    -18.23061608
  O     18.26337772     10.57591588    -11.55712893
  H     16.99441977      7.03504567    -12.39270957
  H     15.58430764     10.64303206    -17.50461156
  O     18.04887320      9.92288023    -16.14884989
  H     15.43292645      7.06441491    -12.34925418
  H     16.15815716      8.18735410    -14.00129488
  O     14.65977596     10.29003852     -9.10117199
  H     18.05046008     10.69553079    -10.62381034
  H     16.70224435      9.16122617    -15.10448740
  O     13.85353782      7.71463490    -11.62397915
  H     17.51328455     10.93167896    -12.05742883
  H     17.79892198      7.63001558     -9.95343068
  O     16.10163976     11.32558149    -13.06417958
  H     18.61985097     10.26735270    -15.44411213
  H     17.44407499      8.73253000     -8.93985899
  O     16.04229126      6.47972645    -17.29762979
  H     17.53156644     10.63681858    -16.53158801
  H     12.92425629      6.99442716    -12.98321315
  O     14.64287624      7.40670325     -8.97031163
  H     14.24051389     10.47421341     -9.95243941
  H     11.65363780      6.34132541    -13.57155828
  O     18.55963089      7.23089759    -16.16188455
  H     14.52616442      9.34818285     -8.94082014
  H     19.98158883      9.40423491    -13.95873407
  O     14.89214890      5.57267376    -15.01019335
  H     14.03013999      7.51953976    -10.69465971
  H     19.34210110     10.53536385    -13.13259545
  O     20.10396200      7.44635490    -13.93982712
  H     13.80586963      8.67825920    -11.70736343
  H     18.40081715      8.75483795    -11.66831820
  O     15.99819852     11.51479808    -17.36383413
  H     15.76928210     11.98956651    -13.67849367
  H     19.10423770      7.57824927    -12.39458433
  O     15.98230194      9.00682038    -14.48018361
  H     16.07084558     10.48197067    -13.54511481
  H     17.54950635     11.21309154     -8.14465507
  O     17.31744982      7.79491660     -9.13223924
  H     15.97110983      5.79667603    -17.96008515
  H     16.37587593     10.61090537     -8.95273863
  O     12.51680039      6.67325116    -13.80519442
  H     15.59677614      6.13863376    -16.50194903
  H     15.32332404      8.23294878    -17.63036167
  O     19.70187951     10.32715882    -14.00381852
  H     14.43627984      6.82594691     -8.24327809
  H     14.15970029      9.01783443    -17.00619494
  O     18.47537057      7.78940242    -11.69280724
  H     15.61468413      7.46445834     -9.01687234
  H     14.65332757     10.80159647    -12.06764382
  O     17.34689213     10.65337973     -8.88945518
  H     17.76124647      6.85145815    -16.54423600
  H     13.17717699     10.78939566    -12.45531703
  O     14.86007903      9.07838225    -17.67080740
  H     18.48528304      8.18395052    -16.32162277
  H     14.89231881     13.76633053    -15.34531969
  O     13.78763296     10.49316655    -11.76623298
  H     15.46829426      5.81364932    -14.27068256
  H     15.27487949     12.39108600    -15.93222065
  O     14.92429653     12.83387340    -15.14341665
  H     14.00413340      5.80461841    -14.71685011
  H     12.94787884      8.13921406    -14.91795868
  O     13.34287589      8.91068195    -15.33930677
  H     19.54843972      7.27475329    -14.72103893
  H     14.26446499      8.94605235    -15.03586552
          69
 Energy    -249.44550279827860     
  O     13.51156200     13.43823305    -14.40324383
  H     14.22864856     13.73295353    -14.97638254
  H     18.54246086     10.79771525    -15.40870289
  O     17.47237929      6.64552484    -13.75362058
  H     13.18655847     12.62194313    -14.80405225
  H     15.07358304      8.55235452    -19.43087033
  O     19.57509001     10.93403402    -11.89019376
  H     17.32413713      6.90844880    -14.66905737
  H     14.28265569      8.66078079    -18.10456829
  O     17.77992701     13.78221387    -14.35166146
  H     16.72091839      6.09247048    -13.50633993
  H     16.29108863     11.41764572    -12.90581916
  O     15.03805386      5.37742904    -12.96861049
  H     19.70454269     11.27629572    -12.78116078
  H     16.83612517      9.95187782    -12.86427382
  O     16.04749130      9.54417621    -10.03754151
  H     19.15180544     10.06767836    -11.98865698
  H     13.98417697     11.00108388    -16.04976599
  O     14.59204553      7.43375490    -11.26418162
  H     17.07990901     13.87434788    -15.00754920
  H     13.29227712     10.40032744    -14.79373148
  O     13.74481472     13.55372818    -11.71674925
  H     17.34130674     13.62930833    -13.50279429
  H     17.26321294      8.75487948    -11.30996255
  O     12.87428134      8.47115436    -17.08895234
  H     14.81393344      4.52637856    -12.60294988
  H     17.76981961      7.95350100    -12.57572142
  O     16.64606178      7.86038543    -16.26056530
  H     14.88865278      6.03630358    -12.26627195
  H     16.89858283     12.69145042    -11.20950830
  O     14.23970688      7.14292798    -15.01057415
  H     15.23149312     10.01116859    -10.27951428
  H     15.56489160     13.27369098    -11.79439332
  O     17.71774529     10.34241944    -15.61029243
  H     16.69019292     10.23752653     -9.84899134
  H     19.09853179     12.67351632    -14.51737864
  O     15.14722124      8.82832553    -18.52142786
  H     14.19592211      8.06602437    -11.87552798
  H     20.56930241     12.37317003    -14.89941842
  O     16.25420016     10.55926460    -13.34555310
  H     15.08273124      7.97478374    -10.63457790
  H     18.37194209     12.09708097     -9.17945801
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  H     13.20480787     14.25872330    -11.37045080
  H     18.56947584     11.51092119    -10.59816287
  O     17.88640044      8.75627211    -12.04718978
  H     13.61012503     13.54247517    -12.68202490
  H     15.41547952     10.52653534    -17.72297290
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  H     12.71121938      9.31911037    -16.65695624
  H     16.38188516     10.98088460    -16.61127070
  O     19.76599247     11.96592957    -14.58669721
  H     13.16958322      7.87318319    -16.38838020
  H     13.50655582     10.36025405    -11.74037176
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  H     17.13517114      8.66287562    -16.02724912
  H     13.66533594     11.75744569    -11.11833245
  O     15.57518771     11.23292937    -17.08589423
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  H     15.60425031     12.98199191    -16.65405363
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  H     13.90124103      8.54603215    -13.93182015
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  H     17.16524147     10.44067949    -14.81739361
  H     14.69668989      9.75881162    -13.35099252
          69
 Energy    -249.44547635494519     
  O     13.65154200     12.67846911     -8.43524176
  H     13.65118981     12.94394257     -7.51974840
  H     11.83449442     13.52757675    -13.75111284
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  H     14.32541048     13.21925176     -8.88627511
  H     13.42174773     14.76177050    -12.10201996
  O     14.38026418     10.11578140     -9.48042809
  H     11.61102414     11.39003923    -14.85911672
  H     12.47480306     13.58362541    -11.62908680
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  H     12.54050199     10.45648213    -15.68005231
  H     12.05760275     13.84079952    -15.78803237
  O     11.70139876     12.44883642    -10.44924084
  H     13.55819928      9.82886857     -9.89568440
  H     12.22150901     14.34017707    -17.23361080
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  H     14.17669613     10.95637022     -9.05225771
  H     15.59996598     12.31787478    -12.50925236
  O     13.77449347      9.75331939    -13.19232683
  H     18.38147123     12.76064507    -14.22892823
  H     14.15965684     12.85123284    -12.79781623
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  H     19.59462186     13.46176431    -13.57168410
  H     16.86890717     12.51005476    -15.80419220
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  H     11.81794565     11.51498832    -10.67749154
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  H     12.24342521     12.59444383     -9.66352281
  H     15.96733388      9.82516737    -10.14908615
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  H     11.24489237      9.50989886    -11.55746528
  H     17.36840973      9.23084860     -9.88386265
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  H     16.60442870      8.94744573    -12.27443232
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  H     17.02015708      8.62396144    -16.20309848
  O     14.84591850     12.24381423    -13.10726696
  H     14.80188950     16.90775194    -11.81802814
  H     16.59383285      9.08978702    -14.79312384
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  H     15.44692200     15.69904565    -12.53453297
  H     17.71304143     12.60198674    -12.01224976
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  H      9.43615043      8.83461531    -13.44979178
  H     17.11671118     11.45481339    -11.10976323
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  H     10.61169780      9.74504223    -13.85979378
  H     10.07888713     12.39462946    -11.62146915
  O     16.66059152      9.36621955    -15.72393841
  H     15.03481003     12.88227522    -14.77111210
  H      9.54204224     11.28246139    -12.54496003
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  H     14.34783262     13.68351229    -15.94053542
  H     17.29165893     14.62043153    -13.64501287
  O      9.50427609     12.23293435    -12.37970732
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  H     14.45925769     11.55620868    -16.39077380
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  O     15.50492251     14.08516469     -9.78712859
  H     10.44044073     12.89710380    -13.81528135
  H     16.11265549     13.50558216    -10.26778640
          69
 Energy    -249.44531623612588     
  O     -3.31606795     -0.53413068      1.52673247
  H     -3.93603033      0.20735175      1.46277087
  H     -0.10593829     -0.12727646      1.83423821
  O     -0.84748215      3.17255094      1.54858270
  H     -3.00181952     -0.69221709      0.62624290
  H     -3.07876997     -3.39113661      3.06320626
  O      0.48661582     -0.18280834      4.76427083
  H     -1.69886100      3.62560947      1.51057669
  H     -2.79849489     -2.09753282      2.27334047
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  H     -0.57563024      3.03099303      0.63074805
  H      3.42862536     -0.41864877      1.30796935
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  H      0.40616720     -1.13103334      4.58896733
  H      3.12466811     -0.11813901      2.82489105
  O     -4.15579949      1.12594117     -1.84997077
  H     -0.22644161      0.23258200      4.25984572
  H     -2.06257849      0.37586923      2.48455731
  O     -4.76755170      1.69538200      0.91235666
  H      0.65464923     -2.17552817      0.44593570
  H     -1.17612157      1.65822787      2.45892386
  O     -2.69593786      3.57340231     -1.53450655
  H      1.54172691     -3.39075993      0.74253007
  H     -2.03925441     -3.43834101      0.71206238
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  H     -1.65241815     -0.58144121     -1.33720509
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  H     -4.76373158      0.88727878     -2.54570628
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  H      0.85589245     -3.13414464      3.37672119
  O     -1.28561179      0.79334434      2.87769816
  H     -3.14804709      2.74947931     -1.75550225
  H     -0.67452989     -2.89354764      3.40066616
  O     -1.79998742     -3.44874029     -0.22352338
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  H      1.91027089      0.67409061      4.40971630
  O      1.93519096      3.04679317      2.11548625
  H      0.93679303      2.99678591     -1.01322182
  H      3.18739445      1.41465287      4.87921977
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  H      3.19545299     -0.33522393     -0.99998872
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  H      1.79893164     -2.21543423     -1.36224162
  H      3.31003361      1.12142732     -0.47521179
  O      2.70549390      1.14843941      4.10119839
  H      2.45866361     -2.18055303     -2.76018786
  H     -3.79174616      5.09532329      1.06792821
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  H      0.18865644     -0.01960288     -0.47402385
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  H      0.70819089     -0.41771432     -1.87235489
  H      2.51395105      2.99930752      0.49372200
  O      2.73965871      2.94762971     -0.45387638
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  H      3.37992463      3.63482066     -0.62022183
          69
 Energy    -249.44527946881016     
  O     15.31583640      9.98414146    -15.44615550
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  H     16.95878163      1.46963450    -11.33625619
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  H     15.28341748      6.81933807     -9.47358110
  H     14.86358640      6.25156261    -13.09003029
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  H     18.13553865      5.84283502    -11.83072144
          69
 Energy    -249.44491740710362     
  O     -2.09319527     -2.11753550      0.27759075
  H     -1.71146399     -2.15629100      1.16548782
  H      0.42975486      3.38435160     -0.33119573
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  H     -1.88217214      1.38536616     -1.55338511
  O     -0.31499138      3.45767681      1.26811434
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  H     -0.26733376     -1.62698016      3.31682232
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  H     -1.79820510     -1.80046673      3.49341646
  O     -4.59869861     -0.08358593      3.11713913
  H      1.19136654      0.07180948     -0.19425834
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  O     -3.18539759      3.79243440      1.20792746
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  H     -1.21308615      0.00963667      2.12630288
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  H     -3.67834835     -1.43133158      0.32919385
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  H     -3.71090497     -1.04502730      4.22406963
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  H      1.25913286      3.91507280     -1.52381467
  H     -3.68958810     -2.28467531      5.15209522
          69
 Energy    -249.44479510078742     
  O     13.93830130     12.80009778     -8.35465337
  H     13.35331950     13.54031232     -8.49846074
  H     13.95998766      8.68560333     -7.91661579
  O     18.93404864      4.89636273     -7.76279219
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  H     16.50505692     11.69281685    -13.08767235
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  H     18.04531052      4.51985225     -7.77808886
  H     15.63940270     11.60207338    -14.36291690
  O     16.11618923      4.31902382     -7.90054569
  H     18.99194944      5.39512920     -6.93722455
  H     18.21937182      8.81495843    -12.01123267
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  H     18.79902956      8.28464007    -10.64795388
  O     17.63194244     12.65459159    -12.15522017
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  H     15.96513944      5.03736813     -8.53804936
  H     16.95780323     13.34153242     -8.97068194
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  H     15.55918366      3.59207399     -8.16629525
  H     18.97047504      6.49916485     -4.57527596
  O     15.89148992      6.54727240     -9.51361069
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  H     13.40988813     10.01307608     -9.78803079
  H     14.56847228      8.22389183    -11.78180196
  O     15.80210810     12.31821921     -6.21816107
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  H     14.02628386      6.91864821    -12.41202445
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  H     18.47927644     12.31926904    -11.83903549
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  H     18.20085791      9.28014823     -7.05878181
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  H     16.31940926      7.99183127    -12.97434358
  H     18.80080841      7.81946455     -8.58221072
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  H     16.81759815      6.82786804     -9.48084039
  H     18.83239543      6.30595003     -8.89781849
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  O     19.09634389      8.91681906     -7.16461178
  H     15.82036970      9.22123008     -7.10882444
  H     20.86018722     11.42192280    -11.44985458
  O     18.60444719      7.16860589     -9.27132573
  H     16.26840149     10.66512843     -6.67246067
  H     15.43575216      6.91991648     -6.21541893
  O     19.99675456     11.42710851    -11.04362681
  H     15.07084905     12.53791946     -6.80858440
  H     16.01619894      5.51135595     -6.40224809
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  H     16.56467364     12.81895522     -6.53706773
  H     14.73090437     10.43161746    -12.19261395
  O     14.44624738      9.94928193    -11.40707443
  H     14.94184537      7.52083380     -8.23569521
  H     15.17800138     10.04143051    -10.77378120
          69
 Energy    -249.44471889922880     
  O     -2.32676451      1.87696671      0.30088974
  H     -2.43314503      1.23995294     -0.41802348
  H      0.31061547      0.68142421      3.09224298
  O     -0.78332979     -1.93746809      7.21686009
  H     -1.39338530      2.12288441      0.28522854
  H     -2.42741955     -0.99444232      1.64000885
  O     -1.02433890      0.48993127      4.38785504
  H     -0.38465374     -2.03167333      6.34112205
  H     -2.63087496     -2.36067248      0.88975829
  O     -2.11622960      0.60290948      6.96055533
  H     -1.10871696     -1.02961860      7.26093062
  H     -4.88719125     -2.55160903      3.01385754
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  H     -1.33991291      0.71575527      5.27082892
  H     -4.48003599     -3.51798851      1.86552928
  O     -0.27034490     -2.15932369      4.43900628
  H     -0.78938536     -0.45050272      4.42235081
  H      0.70033545      1.67407085      1.01816467
  O     -0.57380151     -4.91240958      2.25127639
  H     -2.89966856      0.08002846      6.70780417
  H      1.06361479      3.00577759      0.31867577
  O     -2.21684959     -0.38724208     -1.38267068
  H     -2.40412804      1.23667662      7.61136194
  H     -6.04031185     -0.29570937      3.38180007
  O      0.57043430     -2.27770826      1.74840373
  H     -2.17296151     -3.02182628      7.14303030
  H     -4.50829785     -0.27690689      3.17089483
  O     -0.82306716     -3.88163730     -1.90035413
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  H      2.32153212     -2.59653465     -1.29206530
  O     -1.83420968     -5.71243714      0.02464450
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  H      1.19056066     -1.54870424     -1.14739115
  O      0.90760543      0.57781408      2.33921263
  H      0.23860021     -2.24077137      3.62470065
  H     -2.37465630      0.56771206      3.19090143
  O     -1.99265663     -1.66733772      1.09936078
  H     -1.15936626     -4.72537692      2.99880793
  H     -2.87016478      1.06379670      1.78587571
  O     -4.55735528     -3.43859730      2.82443075
  H     -0.05334764     -4.11485252      2.10751431
  H      0.64632839      0.80397726     -1.00683479
  O      0.51842527      2.22804580      0.23752521
  H     -2.65276702     -1.05840951     -1.91895450
  H     -0.40970981     -0.10856845     -1.64794123
  O     -5.24066360     -0.78306503      3.56377664
  H     -2.06314077     -0.80520509     -0.52146195
  H     -3.49743746     -3.02663680     -3.39278065
  O      1.47059679     -2.44647809     -0.88870647
  H     -0.35231194     -2.05614337      1.53158726
  H     -2.32647604     -3.15109015     -2.38617887
  O     -3.06929178      0.46938497      2.52498818
  H      1.02466187     -2.39033916      0.90404500
  H     -4.57355545     -0.99773173      5.33577645
  O      0.54401424     -0.00105805     -1.52815534
  H     -1.04945685     -4.57331952     -1.26513686
  H     -3.91628645     -1.92646117      6.39314858
  O     -3.20967945     -2.76024203     -2.52410154
  H     -0.03634221     -3.43770197     -1.56447804
  H     -2.57005323     -4.02192319      5.18233957
  O     -4.15417232     -1.01094976      6.20389188
  H     -1.90814775     -6.66226503     -0.00336474
  H     -3.11652755     -3.83617003      3.73964492
  O     -2.31353588     -4.01668155      4.25281695
  H     -1.35560358     -5.48994894      0.84378381
  H     -3.17949885     -4.42736856      0.11900869
  O     -3.74788641     -3.64443049      0.13174474
  H      0.92151369     -0.36209422      2.12978481
  H     -3.76833535     -3.31538760     -0.77515740
          69
 Energy    -249.44354354479248     
  O     -5.56436774     -3.51498062     -2.66700723
  H     -5.24279644     -4.23581055     -3.22089957
  H     -5.79919349     -3.80571702      1.64669771
  O     -7.48818414     -4.37977417     -0.92555715
  H     -6.21705420     -3.89513519     -2.05650961
  H    -10.20091310     -4.79862336     -2.28613807
  O     -4.15148142     -3.38031319      0.94169370
  H     -7.30020433     -4.25932536      0.01297701
  H    -10.52915075     -4.37849315     -0.81033500
  O     -7.75252381      1.87070332     -0.87692525
  H     -8.39999954     -4.11237134     -1.09436405
  H     -4.94012560     -7.09309070     -1.49227232
  O     -9.05426231     -2.72188750      1.60666816
  H     -3.32834744     -3.08336263      1.32140826
  H     -5.16297743     -6.96985477     -3.02035223
  O     -6.60399517      0.42668393     -4.65627140
  H     -4.45774467     -2.67140984      0.35207830
  H     -9.52901802     -6.36385507      0.98086521
  O     -6.47474869     -6.86472165      2.12761019
  H     -8.26037833      1.69758409     -1.69065669
  H     -8.65983063     -7.22729441      0.03018238
  O     -8.98661924      1.11162523     -3.17707441
  H     -8.05853008      2.70446707     -0.53143092
  H     -7.75027412     -4.01742419     -4.95118309
  O     -7.38869255     -2.25479182     -4.34380741
  H     -8.23619128     -3.16314058      1.87888556
  H     -8.46527513     -5.34209276     -4.57891824
  O     -7.90428749     -7.02001213     -1.65251803
  H     -8.77036759     -1.99877463      1.03387173
  H    -11.45354267     -4.79634544      1.52662447
  O     -5.43625250      0.87791466     -2.23959247
  H     -6.11656525      0.59108894     -3.82909400
  H    -10.13816531     -4.02729121      1.25622630
  O     -6.69755175     -4.11422965      1.82089159
  H     -6.15627669      0.91590675     -5.34131989
  H     -7.90327387      0.08473988     -0.27600883
  O    -10.21259860     -4.05864084     -1.66513348
  H     -6.33767205     -7.53263073      2.79364280
  H     -8.44598030     -1.14505097     -1.03901423
  O     -5.31601344     -7.54621711     -2.26253416
  H     -7.35823261     -7.02211832      1.74921748
  H     -6.07087721     -5.49599575     -4.70467125
  O     -8.90527200     -7.09864561      0.95729030
  H     -9.32917624      0.22821416     -2.98066997
  H     -4.64052987     -5.78254141     -5.21842556
  O     -7.71457676     -4.97717300     -5.06015970
  H     -8.27410605      0.97477029     -3.81349789
  H     -9.12059039     -6.61496037     -2.84017100
  O    -10.66901465     -4.79885897      0.98438094
  H     -6.69757714     -2.63674268     -3.78256416
  H    -10.30838480     -6.90387270     -3.79188699
  O     -7.95240972     -0.87873961     -0.24926256
  H     -7.09786298     -1.36596680     -4.58371234
  H     -6.18985350     -1.38419055     -0.53976481
  O     -5.15273744     -5.65957311     -4.42356607
  H     -7.71084053     -6.11578764     -1.36178659
  H     -5.27734418     -2.19340868     -1.51512305
  O     -9.77350834     -6.20068176     -3.43255543
  H     -7.04688942     -7.39691693     -1.89770350
  H     -8.73176857     -1.85989541     -3.20271528
  O     -5.26847227     -1.55768007     -0.78241687
  H     -5.20288361      0.08797389     -1.73579796
  H     -9.84390861     -2.39333287     -2.25978484
  O     -9.37814341     -1.59234073     -2.53297056
  H     -6.10783041      1.33321404     -1.71590661
  H     -4.33761536     -5.26796740      0.25972061
  O     -4.54889857     -6.18430223      0.05491752
  H     -6.63048329     -5.04780920      2.06151459
  H     -5.14402269     -6.48066630      0.75455898
          69
 Energy    -249.44340147551543     
  O     12.53813091     11.09025631    -15.33823426
  H     13.44712203     11.16138951    -15.64836638
  H     19.61795985     10.77854975    -12.00240771
  O     17.54899683      8.24493626    -14.09622234
  H     12.49431680     11.56230808    -14.49784319
  H     15.58900763     13.48520039    -12.97502665
  O     15.64671037      9.12527003    -10.13656338
  H     16.82268419      7.64129475    -14.30608614
  H     14.97436349     13.80999150    -14.35596208
  O     17.07494814     12.58677525    -12.28833713
  H     17.81038204      8.06960772    -13.18177671
  H     16.51129180      9.66700674    -13.62112024
  O     14.49055378      8.28586702    -16.69024811
  H     15.37836722      8.28421695     -9.74383456
  H     16.31960858     11.13243335    -13.07851725
  O     13.55214217      5.59770771    -11.45254746
  H     14.90973562      9.42568988    -10.68686941
  H     11.98072768      9.46432969    -15.54716964
  O     15.32846474      6.65588796    -14.50978582
  H     17.93842747     12.48178305    -12.71081979
  H     10.96828031      8.43540626    -16.10921808
  O     13.69403547      9.97954775    -11.93891338
  H     17.14820051     12.26880553    -11.37928922
  H     16.41943753      5.73950245    -10.15755346
  O     19.44395893     11.87609829    -13.58668218
  H     14.87765376      7.62538663    -16.10160232
  H     17.57634089      6.27224294    -11.01360701
  O     15.73095685      4.39103617    -12.89274737
  H     13.54650777      8.27865312    -16.49081448
  H     16.68438240     10.56423848     -9.82241047
  O     18.32861842     10.42849928    -15.61498268
  H     13.21955258      6.26684440    -12.06667674
  H     17.22909766     11.65626224     -8.87549053
  O     19.56048945     10.26710374    -11.18614345
  H     14.17439001      5.06148341    -11.95873618
  H     17.17031619      8.40209189    -11.01471733
  O     14.76960191     13.74795318    -13.41252316
  H     15.50267930      5.80871435    -14.08134688
  H     18.66630325      8.71492107    -11.29043652
  O     15.86755441     10.36979069    -13.46217573
  H     14.55101070      7.02604810    -14.06774095
  H     14.33272587      6.23062363    -10.03707516
  O     11.80217587      8.51213602    -15.65408131
  H     13.16722615     10.77677126    -12.06704428
  H     14.49108586      6.21750769     -8.49812807
  O     17.08557180      5.46660653    -10.79943433
  H     14.45798108     10.08020661    -12.53308655
  H     15.42874502     12.63574691    -16.26809193
  O     17.27363077     11.33502997     -9.77279702
  H     19.08369811     11.38324462    -14.34440223
  H     15.16114742     13.97205074    -16.97623302
  O     17.98339232      8.03520277    -11.38571340
  H     20.18661751     12.37580994    -13.91610591
  H     13.15141815      8.45425297    -12.77677334
  O     14.87190203      6.56857028     -9.29860426
  H     16.28788095      4.72795266    -12.16789474
  H     12.48845115      7.87089375    -14.05843228
  O     15.39239203     13.59501377    -16.13066945
  H     15.98738986      3.48461934    -13.03864105
  H     11.86010716     13.00470079    -12.50685707
  O     13.00164033      7.63867120    -13.27441581
  H     17.49093938     10.64588242    -16.03327240
  H     13.33006365     12.92315798    -12.98309709
  O     12.53228670     12.39391923    -12.79589022
  H     18.19230720      9.56201367    -15.20170332
  H     15.11742358      9.95638674    -16.46722384
  O     15.37330521     10.82566249    -16.12439303
  H     18.91549570     10.71983250    -10.62867384
  H     15.51598633     10.71311961    -15.17152570
          69
 Energy    -249.44307315626159     
  O     16.55728508     12.98766928    -16.47359996
  H     16.56532196     13.76737376    -17.02200951
  H     16.73352792      7.33212693    -17.90379151
  O     16.04570446      7.23787006    -13.48907724
  H     15.66495462     12.92820229    -16.08728859
  H     14.71096143      9.82914194    -14.82494702
  O     18.25992656     12.44430568    -14.22544416
  H     15.56890975      6.65585126    -14.09129973
  H     15.71556735      8.85955105    -14.09742462
  O     18.38322780      6.61586591    -17.76901261
  H     15.58134925      7.33927640    -12.64412237
  H     13.13469995     10.67626051    -12.20420039
  O     13.26312939      8.30970946    -17.99940681
  H     17.73779213     12.69653410    -14.99565992
  H     12.46108184      9.35801583    -12.66074912
  O     17.30817727      9.66924675    -10.55119800
  H     17.62437908     12.22293893    -13.53162123
  H     19.19554269      8.07896336    -12.72439073
  O     11.54837485      8.53801914    -14.12284188
  H     18.86502279      7.30458166    -17.29228001
  H     19.69483002      9.52845893    -12.81956687
  O     13.79023469     12.50612434    -12.55154436
  H     18.32153353      5.86623386    -17.16475176
  H     13.16777952      9.58004387    -16.61611295
  O     17.92129937      4.71049941    -15.64644003
  H     14.21302462      8.09912777    -18.00346121
  H     12.49511989      9.67761550    -15.22424387
  O     14.99348393      8.02297009    -11.14455409
  H     12.98441821      8.34086514    -18.91081069
  H     19.75202019      9.39113631    -15.51220621
  O     15.28962990      5.81373231    -15.76321072
  H     18.03830565      9.35803468    -11.11587945
  H     18.48434201      9.30494937    -16.37665772
  O     15.92319760      7.82352456    -17.70587490
  H     17.65911203      9.73818159     -9.66718564
  H     18.86360418      7.52197993    -14.80067183
  O     15.59390299      9.75511911    -14.44177243
  H     11.90815160      7.77951707    -14.61595711
  H     17.74435433      7.02399256    -13.83194548
  O     12.98115383      9.75895435    -11.95410567
  H     10.61794789      8.36630233    -14.00124594
  H     19.58420965     11.32680933    -14.24815397
  O     19.30961981      8.88711007    -12.21011049
  H     13.60621589     13.16579252    -11.88713842
  H     21.11772783     11.13357491    -14.18686385
  O     13.14485158     10.09863789    -15.80258133
  H     14.71275851     12.22626450    -12.41920930
  H     16.89239288     11.16427691    -16.86974879
  O     19.24450851      8.78938267    -16.07128258
  H     18.34228126      3.88788297    -15.41088602
  H     16.53325914     10.04795576    -15.87641834
  O     18.66064934      6.86800882    -14.11607831
  H     18.26630399      5.38629110    -15.03761953
  H     16.06834846     10.86298523    -13.15010382
  O     20.29244159     10.65797306    -14.23006979
  H     15.73293720      8.56141250    -10.83936517
  H     16.64509554     10.93851009    -11.70921268
  O     16.94122153     10.21095506    -16.74294809
  H     14.26909984      8.63498759    -11.34477382
  H     13.93473633     12.76816609    -14.43257085
  O     16.31549552     11.47725765    -12.43897963
  H     16.08179027      5.26300026    -15.74230528
  H     13.67281535     11.87110303    -15.64836513
  O     14.08306148     12.70565120    -15.38390856
  H     15.48279088      6.52524496    -16.39014571
  H     13.43512247      6.16613169    -15.67221754
  O     12.59752202      6.63780753    -15.76321144
  H     16.21319139      8.70851773    -17.44251597
  H     12.67288440      7.11946086    -16.59661854
          69
 Energy    -249.44297625143233     
  O     11.67758037      9.76888322    -15.23442743
  H     12.28621983      9.24713589    -15.77658882
  H     19.83736256      7.94027219    -12.04209582
  O     16.75918055      6.98406861    -13.35072102
  H     12.04113940     10.66148444    -15.21483767
  H     15.03517789     11.02368942    -17.58151195
  O     16.60446924     11.80565021    -11.60688154
  H     17.53273272      7.33590947    -12.89139940
  H     15.95786605     11.50947546    -16.46795538
  O     17.35502909     10.46682782    -15.69963323
  H     16.07306849      6.82430009    -12.68720421
  H     15.80059603      8.36045623    -14.05684416
  O     13.92902134      5.54860975    -16.11647713
  H     16.51098697     11.52420693    -10.68931797
  H     14.72552692      8.78222104    -15.11739069
  O     14.17869161      9.06325420     -8.77352721
  H     15.74267934     11.66628064    -12.02015338
  H     11.28311393      8.77224168    -13.88306701
  O     14.67730383      6.77820612    -11.56058932
  H     17.62798627      9.81872322    -16.35777530
  H     10.18294144      8.09960125    -13.02767980
  O     14.21690822     11.09668554    -12.92321178
  H     16.64254875     10.03415676    -15.20109830
  H     17.09659460      7.74546040     -9.29377577
  O     17.60025488      8.30840514    -17.61138709
  H     13.53736185      4.74957216    -16.45771794
  H     18.12756332      8.30978192    -10.31027337
  O     15.51451218      6.71294475     -8.89576979
  H     13.58297561      5.66558778    -15.21195448
  H     13.56074404      6.11927938    -12.90307532
  O     16.67717742      6.32159938    -16.04154679
  H     13.68913247      9.14324988     -9.60370366
  H     12.27150811      6.69011728    -13.52029189
  O     18.90789970      8.15046515    -12.01677770
  H     14.84985071      9.75807721     -8.78674089
  H     18.27311492     10.65152561    -14.03097144
  O     15.11760898     11.70351062    -16.90439433
  H     14.19491265      7.61704775    -11.51936201
  H     17.90782161     11.06747555    -12.58081474
  O     15.31766855      9.10933684    -14.42908463
  H     14.96766842      6.58777556    -10.66057276
  H     16.86443811     11.25630284     -8.23102135
  O     11.12771247      8.16303576    -13.13858335
  H     13.76624949     11.63895750    -13.57955985
  H     16.96690417      9.98553658     -9.10676881
  O     17.73301304      8.45516728     -9.44177360
  H     14.63781950     10.37855292    -13.42394568
  H     15.21070908      9.30272776    -19.56165018
  O     12.95843041      6.02543695    -13.65231345
  H     18.42874833      8.02382237    -17.98763384
  H     16.08902572      8.99572232    -18.32663592
  O     18.54157388     10.55869565    -13.11045740
  H     17.28396822      7.57821010    -17.04764502
  H     13.46289063      9.87147776    -11.83579544
  O     16.43512658     10.78508086     -8.94058653
  H     14.99775233      7.52963237     -8.76054107
  H     12.34974731      8.79475235    -11.87713097
  O     15.22740225      9.34403573    -18.60863386
  H     15.37540170      6.16744907     -8.12687484
  H     13.78123918     12.10925657    -15.83150146
  O     13.11219207      9.09894712    -11.36996570
  H     15.78747050      5.96087583    -16.13069927
  H     12.75151972     13.17096419    -15.38671363
  O     13.04967101     12.28202596    -15.21311868
  H     16.80845422      6.45682751    -15.09208845
  H     13.68919214      7.32782104    -16.52297563
  O     13.63350534      8.29176443    -16.54784771
  H     18.80985006      9.04142455    -12.40329994
  H     14.11095955      8.60118877    -17.32717007
          69
 Energy    -249.44291710967400     
  O     12.62882667      9.93847947    -15.36169547
  H     13.17056174      9.34437601    -15.89969646
  H     20.79265044      7.10908457    -13.08492338
  O     17.46735950      6.74283847    -13.74583606
  H     13.11451877     10.77034693    -15.32021422
  H     17.06831984     11.32488013    -16.75315616
  O     18.23764985     11.10323633    -12.21741969
  H     18.34824008      6.96995650    -13.42895656
  H     15.99209902     10.97495987    -17.78685162
  O     18.45962129     10.25713445    -16.12899307
  H     17.08367294      7.55284217    -14.12040156
  H     16.06445757      9.65887540    -14.13863698
  O     14.19930563      5.52520636    -16.25560111
  H     18.21310303     10.87983606    -11.27930728
  H     17.06648380      9.43818496    -15.30054930
  O     15.59953178      9.12527845     -9.30520258
  H     17.31556042     11.15757071    -12.50296632
  H     12.06994978      9.03637923    -14.00453452
  O     15.37563005      6.51355004    -11.97568073
  H     19.13860552     10.18801816    -15.45085071
  H     10.89722044      8.58255475    -13.10132624
  O     15.57510491     10.99516418    -13.00489681
  H     18.51403013      9.48463454    -16.71727435
  H     18.73055840      8.56817804     -9.96805637
  O     18.08075208      8.11803993    -17.74706921
  H     13.72121428      4.78478403    -16.61845569
  H     19.30125272      7.62383570    -11.05289107
  O     16.57459399      6.42801142     -9.44419975
  H     13.86149685      5.65901172    -15.35130567
  H     12.71685908      6.82148164    -13.61094610
  O     17.07548054      5.86554631    -16.40728945
  H     15.81330691      8.18701242     -9.22573776
  H     13.97475373      6.09032620    -13.09788626
  O     20.01115767      7.59295258    -12.82644061
  H     14.98568166      9.19529594    -10.04777456
  H     19.45623281     10.55190606    -13.25235253
  O     16.20439079     11.60372987    -17.08661763
  H     15.72111396      6.35758386    -11.08887382
  H     20.87718318     10.79356101    -13.82124893
  O     16.36277590      9.01366576    -14.79077089
  H     16.13452692      6.51603521    -12.57752220
  H     17.13634473      9.94261087     -9.43082063
  O     11.83703095      8.49117846    -13.23105548
  H     14.98329365     10.40086683    -12.52143308
  H     18.23222882     10.79004816     -8.74459908
  O     18.88487347      7.63925017    -10.18395301
  H     15.06742565     11.47992837    -13.66779044
  H     15.17020146      8.95691071    -18.11330591
  O     13.28218740      6.05736982    -13.77202084
  H     17.76396027      7.29703238    -17.34283029
  H     15.20380306      9.25165154    -19.63100392
  O     20.15141139     10.17494681    -13.82600797
  H     17.34436861      8.47239620    -18.25848643
  H     14.60847026      8.17115384    -11.84226633
  O     18.04542003     10.27898846     -9.52757453
  H     16.73767070      5.76421500     -8.78003199
  H     13.27229269      8.89317136    -12.12792677
  O     15.68641122      9.38353258    -18.81921731
  H     17.44229815      6.78801403     -9.70385500
  H     15.00281067     12.01603063    -15.89747325
  O     14.13890377      9.00966862    -11.71990932
  H     16.13530655      5.65384163    -16.41369031
  H     14.09215919     13.12996267    -15.33378809
  O     14.33442285     12.21512559    -15.21693871
  H     17.29562227      6.00559176    -15.47707255
  H     15.12361284      8.48883782    -15.99423503
  O     14.44954235      8.26822777    -16.65591318
  H     20.09922378      8.48465101    -13.19858332
  H     14.30609890      7.31517265    -16.60633495
          69
 Energy    -249.44283251209808     
  O     12.85209435     11.59373579    -14.85521664
  H     13.67893698     12.08706652    -14.90084386
  H     16.52352398     10.51795017    -17.11562262
  O     15.14687446      6.25884457    -13.27759625
  H     12.92980376     10.88140102    -15.50544820
  H     15.07173275      7.90046304    -14.08556405
  O     18.22699106      9.68699592    -12.34283170
  H     14.61999585      6.51025872    -12.50759499
  H     14.50111942      8.95713097    -15.09772417
  O     11.94873197      7.03630444    -15.86071340
  H     16.07898932      6.37954491    -13.04641944
  H     12.10954627     11.02070029    -13.40590895
  O     15.53815920      9.32848626     -8.82689629
  H     17.40434185     10.17874936    -12.48989109
  H     10.91546736     11.12393644    -12.42712130
  O     13.65089267      7.28485685    -11.19522432
  H     18.36732175      9.65301810    -11.38878580
  H     17.81733931      6.54525829    -10.88483663
  O     15.85715320     10.87030871    -12.96123471
  H     11.10660253      6.66722633    -16.11359616
  H     16.89516021      6.49197119     -9.63445841
  O     16.35317691      7.21691454    -16.59754403
  H     11.87251191      7.28751819    -14.92186675
  H     12.32381250      7.49620956    -12.54728269
  O     15.10860775      6.64649247     -8.88310143
  H     16.45727976      9.48855116     -9.07152517
  H     11.68936798      8.78931051    -13.08498641
  O     14.37732724      5.48332908    -15.85298711
  H     14.98940538      9.71633929     -9.52223431
  H     19.91462391     10.27026022    -15.03988077
  O     18.83509516      6.99460560    -15.28250258
  H     13.80138174      8.24076769    -11.16264546
  H     18.83126334      9.82470892    -14.03735985
  O     16.93163856     11.12491941    -16.48821210
  H     14.03832370      6.92512387    -10.38799450
  H     18.22597179      6.73848448    -13.57757572
  O     15.24201966      8.75079218    -14.51347890
  H     15.64524732     10.11230617    -13.53363972
  H     17.87339501      7.84757762    -12.57257417
  O     11.71108379     10.63027428    -12.60693883
  H     15.74872913     11.65876432    -13.50422038
  H     19.01734988      9.44668243     -8.91917032
  O     17.79621193      6.67407494     -9.92659140
  H     16.17543891      7.81366117    -15.85571369
  H     18.21069193      8.33770261     -9.63771551
  O     11.80830078      7.85199301    -13.28128764
  H     15.71832406      6.49160718    -16.49442896
  H     15.72770192      9.11657826    -19.15382460
  O     19.05231263      9.86335477    -14.98243187
  H     15.24021820      7.60502521     -8.76155334
  H     15.90910216      8.43845393    -17.77390969
  O     17.78995999      6.89760240    -12.72831581
  H     14.87435239      6.28888142     -8.03079105
  H     14.68578927     10.40613507    -11.68136066
  O     18.33509484      9.30260750     -9.56963280
  H     14.62564284      5.56407599    -14.91998976
  H     13.16103295     10.32411136    -11.46554543
  O     15.57305323      9.23567972    -18.22044023
  H     13.51538013      5.90955958    -15.92471924
  H     15.68496872     13.69663654    -15.14558040
  O     14.00780500     10.07266848    -11.07628622
  H     18.07317913      6.89711656    -15.86875179
  H     15.97801294     12.23192404    -15.55060050
  O     15.44973210     12.79312356    -14.95400536
  H     19.02268853      7.94118514    -15.27430223
  H     13.96682721      9.32558367    -17.19609267
  O     13.32432892      9.38649303    -16.47881675
  H     17.63188497     10.64080013    -16.03342792
  H     12.82077225      8.56224113    -16.43600514
          69
 Energy    -249.44278508611620     
  O     13.35330715      9.82021652     -9.87412005
  H     12.82245877     10.27782651     -9.22875922
  H     16.22320848      9.03446507    -15.76435074
  O     15.33481651      5.20151500    -12.42925780
  H     14.19763997     10.30542887     -9.94234699
  H     14.86710660      8.53714589    -12.54037500
  O     15.66569707     12.12905993    -12.78210251
  H     15.18517017      5.19770562    -13.38345011
  H     15.59672987      7.20781275    -12.24568265
  O     17.91928958     11.31709653    -14.39029233
  H     16.27633677      5.07614330    -12.25476170
  H     14.03912980      8.04954099     -9.64200405
  O     11.27175106      7.59734638    -15.87788444
  H     16.45233020     12.00881561    -13.32593076
  H     13.82581963      6.55923181     -9.98824451
  O     17.22192313      7.13276571     -9.64253518
  H     14.92287215     11.89244351    -13.35095854
  H     18.39332090      5.83907224    -12.41487795
  O     12.29923169      6.71226596    -13.41769357
  H     18.08392993     10.65937621    -13.69240451
  H     18.69029558      4.58439844    -11.56074499
  O     13.77754340     10.94146566    -14.56017415
  H     18.74720732     11.76183976    -14.55220664
  H     12.72391739      4.36330323    -10.75632451
  O     13.98986848      9.09875194    -17.74467179
  H     11.46963529      7.24798171    -14.99867742
  H     13.83525348      5.11636851    -11.52649634
  O     16.49126991      7.37811185    -15.11176690
  H     11.84516077      7.11746503    -16.48759321
  H     18.33349288      9.61223888    -11.48886396
  O     14.31801480      5.62931023    -15.05870294
  H     17.49435453      6.46041376    -10.27420398
  H     17.26656801      9.02105496    -12.42769944
  O     16.00876852      9.95760936    -15.96529870
  H     16.25453213      7.09997840     -9.58495129
  H     18.83364707      7.86301801    -13.21005177
  O     15.72816255      8.10247861    -12.57723988
  H     12.55505853      7.60139507    -13.12543450
  H     18.20348113      7.02416139    -14.33197628
  O     14.44869119      7.17740965     -9.59130927
  H     12.31773167      6.15760394    -12.62989667
  H     17.81910810      8.75053994     -9.60607279
  O     18.02540093      5.24466280    -11.73744893
  H     14.54264740     10.58919056    -15.03777864
  H     18.66192022      9.83099361     -8.88550872
  O     12.96556172      5.22005105    -11.09910427
  H     13.01987064     10.83331428    -15.14880265
  H     13.26025269      6.09008599    -18.42363560
  O     18.14276799      9.43827185    -12.41867666
  H     14.75650708      9.45930614    -17.28092289
  H     13.63270394      7.38528835    -17.66602838
  O     18.87089558      6.99479856    -13.63361880
  H     13.22626323      9.58050903    -17.40348728
  H     16.52387588     10.67536750    -10.02310278
  O     18.13650021      9.67121303     -9.66406836
  H     16.26260227      7.70105244    -14.22501396
  H     15.72648215     11.49852692    -11.08226216
  O     13.33426858      6.46525239    -17.55023737
  H     15.81447021      6.71722936    -15.30031018
  H     11.50034233      9.31207484    -16.14381096
  O     15.67324057     11.08670163    -10.20686506
  H     14.01223237      5.75406106    -15.96638614
  H     10.95288753     10.65000194    -16.69502165
  O     11.74067060     10.23114571    -16.35917904
  H     13.62628434      6.01347626    -14.49922722
  H     13.31538026      9.87498465    -13.18302815
  O     13.16271324      9.15308214    -12.55810735
  H     16.70736543     10.49154911    -15.56822592
  H     13.11785391      9.49894701    -11.65742495
          69
 Energy    -249.44269351495095     
  O     13.61963155     11.93022063     -8.49647763
  H     13.66378716     12.03775353     -7.55034239
  H     12.53055841     13.65792375    -11.39622856
  O     11.23198952     11.20221918    -15.29655859
  H     14.38379733     12.40497003     -8.87125341
  H     12.33339416     14.19293221    -15.67311452
  O     13.92952465      9.50630426     -9.96940189
  H     11.28183455     12.08896125    -14.90842692
  H     12.83833555     13.42682810    -16.90907069
  O     11.66522792     12.36371051    -10.47372217
  H     11.62428039     11.26343912    -16.17692535
  H     15.34527052     12.01828168    -12.49135257
  O     11.71406562      9.82906779    -11.70038487
  H     13.11158252      9.46522495    -10.48038302
  H     14.02815296     12.85420380    -12.64318589
  O     13.33452568      9.93524631    -13.93313491
  H     13.84427045     10.27602099     -9.39378652
  H     17.15138594     12.78744628    -14.67157810
  O     15.19748051     15.63734438    -11.04252985
  H     11.69136929     11.50289178    -10.91620305
  H     17.78841635     11.39805460    -14.72243385
  O      9.47459660     10.15938015    -13.42208343
  H     12.22094864     12.27282706     -9.68940156
  H     12.59068094     11.46030189    -18.58159769
  O     15.44545570     13.64977070    -15.19679909
  H     10.84496642      9.79061625    -12.11525998
  H     13.62152216     11.42866070    -17.42948510
  O     15.29698077     11.38214160    -16.94193656
  H     12.34449109      9.79271327    -12.43573184
  H     15.46041739      9.15021119    -10.69096224
  O     11.26731778     13.76048969    -14.16575695
  H     13.82184619     10.72433019    -13.64434598
  H     16.78544889      8.36260160    -10.56980342
  O     13.00413208     14.18860436    -12.05465133
  H     12.63333529     10.25594865    -14.51228626
  H     15.98149022      8.65220624    -12.93476943
  O     13.02371523     14.19001771    -16.34971109
  H     15.29140463     16.54915593    -10.77929619
  H     14.86614235      8.93126389    -13.96523620
  O     14.57837236     12.17546435    -13.05609307
  H     15.78263349     15.50513466    -11.80878540
  H     17.92109188      9.20793810    -16.09246764
  O     17.80382328     12.23096204    -14.23078546
  H      8.76878576      9.64193895    -13.80154205
  H     16.79859636      9.35055623    -15.03566304
  O     12.68678894     11.60041298    -17.64340493
  H     10.03013572     10.45823119    -14.16174795
  H     17.36512527     11.82164360    -12.49514423
  O     16.32794866      9.00229533    -11.10923371
  H     15.12475735     13.08839888    -14.47184763
  H     16.84994823     10.74496960    -11.47490963
  O     15.77363509      8.60767609    -13.87539930
  H     14.65791388     13.99473503    -15.64387073
  H     10.04043143     12.75846655    -11.54889008
  O     17.34389344      9.84236771    -15.67650637
  H     15.96799890     10.77499648    -16.61033595
  H      9.28936077     11.91545644    -12.59566067
  O     16.93057224     11.69397909    -11.63974431
  H     15.42685686     12.20277462    -16.45107890
  H     17.55779211     14.55853648    -13.17572859
  O      9.44084788     12.82230272    -12.30260473
  H     10.48315273     13.56431286    -13.63328530
  H     16.27544823     14.80780464    -13.97182637
  O     16.78092742     15.11859710    -13.20720275
  H     11.93731254     14.02346553    -13.51911254
  H     15.57620442     14.08504080    -10.02946761
  O     15.69705210     13.21104866     -9.64075273
  H     13.64010101     14.76069157    -11.61083358
  H     16.23287519     12.70576842    -10.26727686
          69
 Energy    -249.44219109199173     
  O     -2.06777521      3.63303226      3.55521663
  H     -1.41436893      2.92867136      3.64087463
  H     -1.33808221      2.36868046      0.73138468
  O     -2.81639307      5.94577499     -0.45217747
  H     -2.46368307      3.52652825      2.67849176
  H      0.49081719      4.97300182     -2.46069691
  O      4.39052756      6.07860229      0.47480018
  H     -2.77608260      6.64611790      0.20878620
  H      0.38254347      3.64146861     -3.20564830
  O      2.34349594      7.33572642      1.91277016
  H     -2.01278060      6.06556711     -0.98257746
  H      1.32262977      9.28583080     -2.47467706
  O     -0.37587875      6.28497137     -1.59822190
  H      5.30530438      6.28361713      0.29912866
  H      1.02545830      8.74586050     -1.05350413
  O      1.46281086      3.19813320     -0.26284108
  H      3.93467348      6.07991206     -0.38602762
  H     -1.57334208      1.34881032     -2.32564282
  O      0.50053956      5.50203946      0.90094765
  H      3.15050362      6.96031943      1.53608298
  H     -1.38252451      0.93418032     -0.84774640
  O     -2.10452874      7.91379151      1.52329407
  H      2.22619898      6.98896223      2.80741857
  H      1.35534058      2.92092406      3.65942894
  O     -0.99103091      6.09389287      3.21557981
  H     -0.06376420      6.04648818     -0.70974876
  H      2.62914944      3.52520529      3.00694783
  O     -2.82166337      3.45619000      0.85844766
  H      0.07531532      7.10263346     -1.84030214
  H     -3.35095527      4.78505989     -1.92299335
  O      0.47617122      8.94538601      0.57735317
  H      1.15885209      3.98341200      0.21985876
  H     -3.86633413      3.34441720     -2.07028254
  O     -0.62115407      1.71847666      0.69712212
  H      1.41293209      3.42542701     -1.19943013
  H     -1.45994468      2.54129039     -4.53479987
  O      1.02534551      4.24326385     -2.81128453
  H     -0.11777199      5.52256430      1.64012739
  H     -1.98150812      3.27692108     -3.28221446
  O      1.29207495      8.48763117     -1.95490312
  H      1.21141350      6.10945246      1.14506870
  H      0.02448081      0.73785241      3.72075680
  O     -1.92790886      0.78035903     -1.63085022
  H     -1.75094170      7.30077986      2.19143754
  H     -0.19983780      1.55350654      2.42880929
  O      2.00921052      3.62239373      3.74533469
  H     -2.67196888      8.52406086      1.98876820
  H      1.86432723      6.33294711      5.26430753
  O     -3.40259793      4.04809961     -2.54256287
  H     -1.40489097      5.24817547      3.44837826
  H      1.75883869      5.23232857      4.17788676
  O     -1.24248338      2.74584234     -3.62803594
  H     -0.16978864      6.17633813      3.71475264
  H      3.98089784      4.33751496      1.19332720
  O     -0.02245909      1.62822911      3.38121223
  H     -3.44712979      2.91679781      0.35846115
  H      2.98455625      3.23032813      0.82246658
  O      1.59499500      6.17714463      4.36370434
  H     -2.80291969      4.32481321      0.43509642
  H     -5.03511430      1.25104425     -0.91965564
  O      3.61703933      3.50008103      1.50233215
  H     -0.38848267      8.63302881      0.86640407
  H     -3.51661990      1.37684353     -1.20240903
  O     -4.31293667      1.87230807     -0.93703713
  H      1.13518768      8.50504610      1.13286471
  H      2.49674396      6.98882176     -1.95879627
  O      3.01060579      6.17665462     -1.86479809
  H      0.15570917      2.16138064      0.32321577
  H      2.50698208      5.48156224     -2.30291874
          69
 Energy    -249.44142598352084     
  O     13.45337581     12.55547970    -13.39662875
  H     14.35754606     12.88487436    -13.44261402
  H     17.33815731     11.17516461    -15.82416708
  O     14.38599603      6.85280456    -13.79197448
  H     13.32222624     12.03881919    -14.20472721
  H     16.10145259      9.42121154    -14.76267414
  O     17.92661630      9.51225140    -15.28956904
  H     14.69109148      7.76009813    -13.95315641
  H     14.61396684      9.90811522    -14.71157415
  O     11.24408028      8.98725024    -15.41512289
  H     13.94887694      6.87126204    -12.93266782
  H     11.74150902     11.85396413    -10.85599091
  O     16.27821751      7.70727728     -9.53702330
  H     17.99197114      8.64396982    -15.70770169
  H     12.72270342     11.76349763    -12.04960992
  O     13.26575840      7.26787289    -11.28350878
  H     18.37619559      9.46619696    -14.43669603
  H     16.68584202      4.50785016    -12.33994255
  O     16.43580506     10.80550245    -12.20377403
  H     10.31817744      8.97757582    -15.64180064
  H     17.39390033      5.28121610    -11.24952534
  O     15.41642913      8.23295143    -17.54783742
  H     11.29459083      8.91989325    -14.44407506
  H     11.66128720      9.73427987    -12.25753361
  O     14.68272161      5.32037230     -9.81332303
  H     15.72219219      6.92328115     -9.45336614
  H     11.93835066      8.22239023    -12.23612470
  O     17.73137093      6.93975018    -16.35998755
  H     15.67492667      8.44404885     -9.69759639
  H     18.05242522     10.05852471    -12.36105993
  O     13.21732122      7.10789871    -16.31676676
  H     13.62450912      6.54983913    -10.74781679
  H     19.59497737     10.09969636    -12.23977572
  O     16.81163192     11.96817665    -15.99687754
  H     13.73336373      8.07299293    -11.01809595
  H     17.34865946      6.34469380    -13.19141399
  O     15.28896689      9.40228137    -14.24065850
  H     16.41507577     11.70914621    -12.54269312
  H     16.00416856      6.14680517    -13.92872280
  O     12.31959514     11.25592250    -11.32197610
  H     15.96551791     10.26868132    -12.86363405
  H     17.42901471      7.36380451    -10.86398750
  O     16.79290679      4.53476946    -11.38421001
  H     16.18023506      7.74114189    -17.23258453
  H     18.43509784      7.88169884    -11.91781955
  O     11.46260376      8.91020537    -12.71835531
  H     14.63167327      7.79620723    -17.18162981
  H     15.14673673      9.90380676    -17.78580489
  O     18.87227221      9.59641876    -12.60713901
  H     14.46717352      4.64483705     -9.17568197
  H     14.81856693     11.04738424    -18.77616325
  O     16.94763007      5.92576586    -13.96546400
  H     15.38858449      4.95748679    -10.37558756
  H     13.73293583     10.24467307    -10.64721306
  O     18.00069604      7.08484381    -11.59689790
  H     17.47202519      6.50316371    -15.52957118
  H     15.22766088     10.12063903    -10.99508195
  O     14.93524347     10.85425539    -17.85030981
  H     18.27410685      6.31898987    -16.83877899
  H     16.60060043     14.07891416    -13.66225462
  O     14.51301353      9.69405106    -10.50265329
  H     12.47087810      7.68295131    -16.11337545
  H     16.42975135     12.80021985    -14.51499190
  O     16.23005700     13.20076195    -13.64923366
  H     13.56784491      6.84124269    -15.45555741
  H     12.56067077     10.24488838    -15.64083870
  O     13.30492197     10.85872271    -15.58419957
  H     16.18364312     11.71446070    -16.68331601
  H     13.73698558     10.90406464    -16.44656970
          69
 Energy    -249.44088266823991     
  O      0.81380448      0.67986712      2.81037591
  H      1.34359924      0.41662984      2.04493789
  H     -2.35252153      0.23985531      6.87672813
  O     -2.65975515     -0.61779616     -3.58976283
  H     -0.11003252      0.65795967      2.51669309
  H      0.12870317      3.68168300      1.71315422
  O      0.28801531     -1.03695652      4.97159664
  H     -2.68671539     -0.47087179     -4.53222368
  H     -0.99843252      3.95277862      0.69863632
  O     -4.33292382     -0.38579496     -1.27740195
  H     -1.85604903     -0.18086090     -3.26374389
  H     -3.16715491      0.89096925     -0.83500180
  O     -1.94623688     -3.07418377     -2.21798447
  H      0.59398644     -0.44814717      4.26858551
  H     -1.71511403      1.23446829     -1.26253864
  O      0.13974222     -1.80321276     -0.88350215
  H     -0.46612441     -0.59894967      5.38724806
  H     -2.45658575      1.04620481      2.35667890
  O     -3.84232360      2.33528999      2.63199720
  H     -3.95848777     -0.46761944     -2.16291300
  H     -1.87473707      0.85457714      0.95645908
  O     -3.27957615     -1.91450273      4.32932903
  H     -4.09368638     -1.19856243     -0.80569718
  H     -2.74014896     -2.53714609      0.57407238
  O      0.42978473      3.27063459      3.53127394
  H     -2.59068611     -3.12861918     -1.50107627
  H     -4.24574361     -2.62486570      0.85095977
  O     -0.44172976      0.48920608     -2.30864723
  H     -2.25940194     -2.36895029     -2.79644594
  H      1.52194169     -0.68949858     -0.07443169
  O     -2.88842079      3.92181479      0.46249975
  H     -0.41253811     -2.36565404     -1.44500729
  H      1.82417350      0.82013170     -0.14003062
  O     -2.11518137      0.11863655      5.96095979
  H     -0.23585907     -1.90544651      0.00347464
  H     -2.78371388      2.57640164      4.09370172
  O     -0.05310220      3.77638511      0.77031008
  H     -3.59099046      2.98795234      1.96678312
  H     -1.28110325      2.87847403      4.34784078
  O     -2.43561379      1.50489956     -0.68068379
  H     -4.47715947      1.73547143      2.21126157
  H      1.94567891      2.94696549     -1.49555518
  O     -1.77588594      0.56546903      1.87289736
  H     -2.51476472     -2.49536513      4.23685473
  H      0.79766399      2.88148004     -0.46382114
  O     -3.59632979     -2.66272826      0.13790467
  H     -2.98351957     -1.18232036      4.88324172
  H     -0.31942544     -2.53135165      4.36103202
  O      1.96163346      0.02938623      0.39564000
  H      0.68158420      2.35096216      3.33502930
  H     -0.37330530     -4.07852111      4.28037465
  O     -2.08054852      2.52933386      4.75722040
  H      1.12700101      3.63802965      4.06915967
  H     -1.03193247     -2.59196228      2.28379551
  O      1.26967047      2.37184696     -1.14609591
  H      0.19863101      1.17045043     -2.06648066
  H     -1.49214552     -1.20778555      1.73045966
  O     -0.79363439     -3.28473624      3.96303153
  H     -0.20045851     -0.31175091     -1.81645251
  H     -5.93092772     -2.58062425      2.81481575
  O     -1.24308839     -2.10860932      1.47670521
  H     -3.40644313      4.50165235     -0.09023101
  H     -4.51697751     -2.03576772      3.11750646
  O     -5.19198332     -2.12406324      2.42095652
  H     -2.77386235      3.08874669     -0.02960896
  H     -5.38260250     -0.37632703      1.72566033
  O     -5.38272227      0.48429987      1.28664205
  H     -2.11106970      1.00399003      5.55647169
  H     -5.22145871      0.29449821      0.35590985
          69
 Energy    -249.44080447983595     
  O     17.06330738     10.71672934    -14.87905684
  H     16.55769977     11.46512771    -14.54285874
  H     15.31263351     12.19956344    -10.44381668
  O     14.81929368      6.16296797    -11.70697964
  H     17.49783318     10.32537377    -14.10771999
  H     15.25247531      7.91675632    -11.99246040
  O     11.42244766      9.34259588    -12.63054600
  H     14.80306959      5.65612561    -12.52769724
  H     16.28597203      9.07391393    -12.17219884
  O     13.74508718     11.87547997     -9.41506645
  H     13.90083620      6.38801294    -11.50306964
  H     16.47697076      9.46004037    -15.90367391
  O     18.74052351      6.82306058    -12.89867774
  H     12.20706366      9.85688417    -12.87842708
  H     16.51459301      8.80666576    -17.30432139
  O     13.75422574     10.56040368    -13.37450856
  H     11.09031143      8.95226276    -13.44734814
  H     11.58895468      6.44242145    -14.35867992
  O     17.35857554      8.55035554     -8.80670256
  H     12.91746466     11.45526788     -9.70945191
  H     11.91558634      5.99427682    -12.92252512
  O     14.52472031      4.89540422    -14.22047771
  H     13.49950959     12.52472312     -8.76052848
  H     15.99592289      5.98290057    -14.64480367
  O     14.67647903      9.24099961     -9.27822285
  H     19.51872460      6.37031257    -13.21164970
  H     16.54675507      7.25812827    -15.32863678
  O     17.35287020      6.31565516    -10.44257310
  H     18.04618744      6.68570515    -13.56960622
  H     11.58255753      9.65027503     -9.50967297
  O     12.29892040      8.00730095     -8.70369356
  H     14.33524677      9.96468644    -12.87554093
  H     11.32447046     10.15453012    -10.94004852
  O     16.09703486     12.35963856    -10.98246933
  H     14.23590330     11.38623620    -13.49140348
  H     11.94957687      7.80222322    -11.77012280
  O     15.36808430      8.87512347    -11.94905443
  H     17.43148830      7.72418366     -9.30815756
  H     12.11029793      7.17587071    -10.36973983
  O     16.14675876      8.70888888    -16.42999071
  H     16.41410085      8.74586824     -8.76279962
  H     11.87786858      8.39109769    -15.43402703
  O     11.96956326      5.71786260    -13.84646019
  H     14.50777346      3.95744919    -14.39328247
  H     10.39954747      8.19103740    -15.85066059
  O     16.77850688      6.54062146    -14.72611101
  H     13.59615106      5.18501872    -14.17899249
  H     19.04110729     11.08923962     -9.61002096
  O     11.50410359     10.45312852    -10.03871225
  H     14.92522589      9.10681934    -10.20548696
  H     17.99929395      9.94509477     -9.57026723
  O     12.17842208      6.98064700    -11.31175548
  H     14.43112259     10.17121841     -9.19614535
  H     13.56629572      9.65938349    -14.96937428
  O     11.01327289      8.05184679    -15.13501551
  H     17.89837832      6.40910407    -11.23256812
  H     14.30069524      8.87012412    -16.06418621
  O     18.29224628     10.72610434    -10.07477395
  H     16.45828153      6.15042853    -10.76785319
  H     15.77243093     12.64691125    -12.65390991
  O     13.42185782      9.08308814    -15.73269721
  H     12.28162832      7.64759136     -7.82086516
  H     15.43808021     13.67366990    -13.76276633
  O     15.51029472     12.73958483    -13.58814141
  H     13.19221747      8.36749461     -8.84377120
  H     18.26725262      9.90908801    -11.73588039
  O     18.03047485      9.50195063    -12.57863535
  H     16.81196780     11.82328379    -10.62058519
  H     18.41180624      8.61495650    -12.61848896
          69
 Energy    -249.44074865594825     
  O     11.36124992     10.85737908    -14.32931462
  H     11.97667987     10.52475167    -14.99896044
  H     18.34777710      7.93767486    -14.79736745
  O     15.82524434      7.64664646    -13.16094582
  H     11.71794969     11.70326033    -14.03735816
  H     14.60733868     12.83041649    -16.20755769
  O     18.24151450      9.99421417    -10.86425408
  H     15.10506785      7.19684191    -12.70543216
  H     15.56502165     12.96772506    -15.01630255
  O     16.99461988     11.88920230    -14.47186456
  H     16.60645872      7.58130828    -12.59548092
  H     14.41687976     10.07220632    -14.52550064
  O     13.81909552      7.14109425    -16.43821361
  H     18.60441020     10.42654028    -11.64694448
  H     15.28583097      9.26852680    -13.50478539
  O     14.88682247      8.77768285     -9.09357629
  H     17.48991436     10.52036462    -10.56827542
  H     10.92137346      9.47819930    -13.40504426
  O     13.85146515      6.50186954    -11.58462954
  H     16.32804638     11.26060413    -14.15171089
  H      9.80345094      8.55655245    -12.85964756
  O     13.86814928     11.46838343    -11.68204652
  H     17.83226816     11.64039948    -14.06349230
  H     17.48142111      6.90757193    -10.86722914
  O     16.88020664     10.35066978    -16.84515359
  H     13.38209428      6.93930501    -15.59085458
  H     18.13804267      8.27355735    -11.20954118
  O     16.01306763      6.38576723     -9.71038883
  H     13.45129124      6.53906816    -17.08014052
  H     11.86450655      7.36629476    -13.77832839
  O     16.58504434      7.71866364    -15.78902495
  H     14.03819298      8.84017111     -9.55047965
  H     12.95122598      6.41632914    -13.26647558
  O     18.98259975      8.21429394    -14.12767808
  H     15.32520549      9.62367687     -9.24225449
  H     19.24697309      9.89733256    -13.69900937
  O     14.70097988     13.25163252    -15.34567637
  H     14.52207508      6.27739651    -10.92788313
  H     20.24269070     11.06260635    -13.50092122
  O     14.98085303     10.15367800    -13.74611706
  H     13.45771266      7.34210498    -11.30556130
  H     15.95629791     12.11187120     -9.31101812
  O     10.75020988      8.66009151    -12.90369687
  H     13.39507722     12.18627129    -12.11690445
  H     15.20033150     11.47681730    -10.49950512
  O     18.00950551      7.36519789    -11.53164828
  H     14.29130579     10.97260831    -12.40360334
  H     14.72395806     11.84813339    -18.64657839
  O     12.52461498      6.72757195    -14.07428450
  H     16.82920380      9.44315905    -16.51926957
  H     15.50854047     11.15300810    -17.50535466
  O     19.33092515     10.81231391    -13.37575483
  H     17.06980059     10.90498470    -16.07654202
  H     13.04803388      9.88028878    -11.14648426
  O     15.92573618     11.33799806     -9.86857433
  H     15.67139222      7.25217628     -9.42263847
  H     11.94931061      8.86145459    -11.49612108
  O     14.67293573     11.60575628    -17.72662957
  H     16.11070559      5.85564437     -8.92351570
  H     12.30636898     14.13726306    -13.49548355
  O     12.71060228      9.00330673    -10.91839680
  H     15.77803199      7.43242834    -16.23086426
  H     13.40980974     13.28844308    -14.16433847
  O     12.69517355     13.26676039    -13.50256224
  H     16.35583395      7.65830694    -14.84833543
  H     13.48381937      8.95603790    -16.26545605
  O     13.33283561      9.87445772    -16.00940253
  H     18.77458431      7.72929534    -13.31836984
  H     13.71751381     10.44464314    -16.68790789
          69
 Energy    -249.44054749554556     
  O     18.66139215      9.07869552     -7.08312786
  H     18.83662538      8.14894870     -6.89451698
  H     16.33285736      8.55920509     -9.16937482
  O     18.41346660      4.70212157    -10.60223319
  H     19.50414697      9.45914488     -7.36322378
  H     20.79923839     10.30367989     -9.10137070
  O     19.13517116      5.19904208    -14.16015672
  H     18.53384625      5.66454582    -10.59771817
  H     21.76742462     10.59343827     -7.92786760
  O     18.93742111      7.87409362    -13.25561406
  H     17.85455318      4.50697786    -11.36667505
  H     16.78675961      9.98265358    -12.57548651
  O     22.55391931      6.61165829    -11.18123125
  H     18.29263406      4.83981036    -13.85551003
  H     16.09635077      9.82965224    -13.95081590
  O     16.70365248      4.48142279    -12.78422393
  H     19.08230500      6.15012464    -13.99284412
  H     20.15444318      4.52115460    -11.41444038
  O     21.39423182      8.95474411    -12.42205953
  H     18.14112643      8.38294156    -13.43866621
  H     20.40663241      4.82526123    -12.88872247
  O     14.83566332      3.55529676     -8.95748609
  H     18.91138490      7.68258719    -12.30512044
  H     13.57825892      4.41409485    -11.85916869
  O     21.09026413      7.26683160     -8.91599425
  H     21.97713199      5.90399016    -11.52534030
  H     13.86182889      5.91309340    -12.06501967
  O     18.78228428      7.44302877    -10.51083662
  H     23.45048602      6.35061896    -11.37248378
  H     14.54121337      6.69746467     -9.13906132
  O     19.38771698      6.29152863     -6.96285222
  H     16.04988759      3.83356057    -12.49359445
  H     16.03735754      6.35621256     -8.90170019
  O     17.00114219      9.25564464     -9.23015799
  H     16.30540764      5.35218606    -12.64028040
  H     15.76621199      7.74250309    -12.49593821
  O     21.11335847      9.97395534     -8.23839726
  H     21.85731328      8.18831622    -12.06552287
  H     15.53267556      6.98794704    -11.15119792
  O     16.48773707      9.33544417    -13.23406275
  H     20.62907590      8.60451016    -12.89831109
  H     19.34011667     10.84623939    -10.95160103
  O     20.86073699      4.71991729    -12.03992228
  H     15.63093248      3.94678462     -8.57441903
  H     20.68402301     10.16050028    -11.31249211
  O     13.17514181      5.28927706    -11.79264873
  H     14.14098795      4.21827924     -8.86032399
  H     17.81853220      5.44440553     -7.67437102
  O     15.44059235      7.01543900     -9.28441944
  H     21.69673909      7.02989700     -9.63059163
  H     17.59243594      4.79121365     -9.05177493
  O     15.47080921      6.90925652    -12.11327573
  H     21.23944587      8.19403108     -8.68392275
  H     12.91473743      5.58821944    -10.08754301
  O     20.24531616     10.72302239    -10.65458999
  H     19.60966951      7.45861096    -10.01297316
  H     12.06114769      5.86990837     -8.82545267
  O     17.13783306      5.05848554     -8.23601874
  H     18.18387348      8.06382271    -10.08035000
  H     17.11720168     11.90517306    -10.95515851
  O     12.95533036      5.73253794     -9.12457987
  H     19.88478670      5.87101433     -6.26452167
  H     17.19670041     10.44009856    -10.46009712
  O     17.37177096     11.02463239    -11.22045399
  H     20.02849012      6.52225973     -7.65626389
  H     14.48719948      1.95111416    -11.69340493
  O     14.70343972      2.87512909    -11.60062265
  H     17.51257892      9.26100963     -8.40676714
  H     14.79889634      3.04611874    -10.64694294
          69
 Energy    -249.44050387167894     
  O     -3.18445210      6.77190414    -10.18954474
  H     -3.65010795      7.56976434    -10.48902230
  H     -7.51086982      6.34717130     -6.07717711
  O     -8.35868905      9.30991086     -9.07130245
  H     -3.33682899      6.11979481    -10.88224108
  H     -5.99281698      8.34600562     -5.21578778
  O     -4.86865521      8.74149976    -11.14125735
  H     -8.64402643      9.40943945     -8.15541302
  H     -7.04201532      9.38140836     -5.65143997
  O     -7.48434929      8.35968148    -13.70058739
  H     -7.99021707      8.41676232     -9.14042466
  H     -6.04588860     12.26166278    -12.25983464
  O     -0.80438401      9.09603606    -12.57082320
  H     -5.51027406      8.02732001    -11.25681530
  H     -6.47785336     11.85289604    -10.84308250
  O     -3.97705268      5.42095578    -12.56197945
  H     -4.69110920      9.07971659    -12.02745290
  H     -5.26144773      6.57074265     -6.29005434
  O     -2.51718111     11.17601806    -11.61097839
  H     -8.11847581      8.24909002    -14.40355834
  H     -5.15272183      5.83789773     -4.93345233
  O     -8.86187342      9.16710693     -6.28919720
  H     -7.89750772      8.94613978    -13.03829424
  H     -1.57213804      7.66191872     -9.96999719
  O     -5.96136230     10.65216387     -9.47450373
  H      0.08836726      9.20532746    -12.88796109
  H     -1.21394711      9.07997732     -9.47744304
  O     -8.50370602      9.98978303    -11.84924947
  H     -0.73907432      8.77820792    -11.65241739
  H     -3.53008790      8.19827597    -13.97766756
  O     -2.10530409     10.59709131     -8.78324182
  H     -3.73101382      4.61144933    -13.00071150
  H     -2.10209505      8.02061194    -13.42182800
  O     -8.32246496      6.51144936     -6.57422947
  H     -3.54788774      6.14869131    -13.04978654
  H     -6.86550117      7.02611994    -12.54470836
  O     -6.11870117      9.28721987     -5.38681723
  H     -2.47218136     11.03415557    -10.65914534
  H     -5.69368165      6.06484007    -12.14414716
  O     -6.81651694     12.18449487    -11.68590987
  H     -1.92769617     10.52202384    -12.00704824
  H     -4.09576003     12.88617270    -13.74191025
  O     -5.70797348      6.42639427     -5.43823642
  H     -9.64259283      9.33910200     -5.76923973
  H     -3.73670905     11.85662189    -12.64341314
  O     -0.87099784      8.32793157     -9.97738553
  H     -8.76574051      8.19890991     -6.34113504
  H     -5.79198674      9.16848805    -13.91714734
  O     -2.84909704      7.53587161    -13.79278342
  H     -6.83555132     10.28400681     -9.28102049
  H     -4.81887992     10.39724479    -13.81637584
  O     -6.47464845      6.52861779    -11.81382382
  H     -5.54143562     10.03494565    -10.09349002
  H     -4.52379810      8.07011147     -7.74144641
  O     -4.43305516     12.13087140    -13.26774531
  H     -8.63403508      9.76765351    -10.92041901
  H     -4.06112676      6.85307640     -8.59439999
  O     -4.86429764      9.43488106    -13.88296393
  H     -8.00606291     10.82143605    -11.86280784
  H     -4.94847359     10.25274464     -8.09982498
  O     -4.65322221      7.12086727     -7.88002478
  H     -2.86873641     10.33758073     -8.24208099
  H     -4.90500967      9.78816458     -6.61487847
  O     -4.37147111      9.87360745     -7.41794958
  H     -1.64871652     11.27552428     -8.29031625
  H     -7.02582002      6.54706904    -10.06382755
  O     -7.16896075      6.78766223     -9.13933663
  H     -8.07230589      6.44073779     -7.50562654
  H     -6.29819360      6.89740811     -8.73314190
          69
 Energy    -249.43999368681156     
  O     12.43692090     11.67386733    -14.14965363
  H     13.26689424     12.15787716    -14.09677998
  H     19.32818197      8.15129470    -15.25192590
  O     15.77564595      6.75567493    -13.92399692
  H     12.49624607     11.13400479    -14.95323883
  H     14.17185319      9.45859851    -14.76214893
  O     17.67784977      9.81157686    -11.29344841
  H     16.62890683      6.89280183    -13.48876002
  H     15.18150653      8.45087348    -14.11471963
  O     16.82192997     10.97391925    -15.33840861
  H     15.12675886      6.58740286    -13.22694337
  H     11.71538825     10.50100836    -13.06962172
  O     12.59553141      7.08689222    -16.45535058
  H     17.66914606      9.52646176    -10.37115761
  H     10.42627955     10.03862478    -12.35472630
  O     14.80878714      8.03420203     -8.61481783
  H     16.83374663     10.25346920    -11.46038254
  H     17.69531881      6.98916806     -9.54059426
  O     13.91355641      6.64270012    -11.87159746
  H     17.61422058     10.97972103    -14.77825767
  H     17.86057237      6.43753519    -10.96766573
  O     15.23672530     10.94295538    -11.97148913
  H     16.19448459     10.35233814    -14.93512876
  H     12.58516539      6.90412468    -13.16055106
  O     15.05655572      5.36599483     -9.66537501
  H     11.95709245      6.53696320    -16.90155323
  H     11.69337974      8.12320173    -13.45412817
  O     18.03604826      8.45075050    -16.38191889
  H     12.36301033      7.07471549    -15.50880134
  H     19.46637555      9.89407626    -13.92322796
  O     15.46774668      7.24921431    -16.64264670
  H     14.77621493      7.09744394     -8.84471886
  H     18.63650002     10.48933190    -12.77179321
  O     19.97294258      8.10483715    -14.52283304
  H     14.23259951      8.48527548     -9.24624069
  H     17.93253270      8.21985883    -12.15245157
  O     14.91341110      9.37725313    -14.15124168
  H     13.80306268      7.53170129    -11.50582185
  H     18.83508867      7.50284154    -13.19013816
  O     11.32762596      9.78458998    -12.53669403
  H     14.22690934      6.08645776    -11.14786626
  H     16.48081659      8.53649132     -8.62624305
  O     17.60589540      6.18693474    -10.06965428
  H     15.21231247     11.80951710    -12.38816510
  H     17.74750040      8.98058051     -7.85574658
  O     11.99627854      7.28570447    -13.82433636
  H     15.06868585     10.32001224    -12.70042146
  H     15.42633610      9.09895564    -17.36854642
  O     18.96209708     10.67415814    -13.66289242
  H     15.99507565      5.57565151     -9.82382751
  H     15.86876542     10.53231956    -17.00760830
  O     18.10940278      7.36364377    -12.56941206
  H     15.03022292      4.50667154     -9.25411620
  H     12.62608991      9.39149723    -11.26237773
  O     17.43286800      8.72167013     -8.71767018
  H     17.70782620      9.33760773    -16.19938248
  H     14.06936361      9.88671305    -11.04735009
  O     15.26370529     10.03110689    -17.56717779
  H     17.25766117      7.92329638    -16.59939206
  H     15.74213629     12.35480082    -14.57745360
  O     13.44000690      9.20337082    -10.77786345
  H     14.51754079      7.12463395    -16.75406099
  H     15.33265442     13.80491209    -14.26373424
  O     15.12497165     12.89517377    -14.06189326
  H     15.64275519      6.94432089    -15.73906572
  H     13.66032942     10.05438487    -16.77013567
  O     12.92844198      9.86529925    -16.16332120
  H     20.79978014      7.82090412    -14.90244775
  H     12.65036327      8.96023060    -16.34632005
          69
 Energy    -249.43944027165668     
  O     16.24391691     11.45939579    -15.18988753
  H     16.68932989     11.51791843    -14.33377253
  H     12.69931696      7.76322850     -9.13344700
  O     16.09026320      6.96199689    -11.43810952
  H     15.32645998     11.71263186    -15.03621840
  H     14.60766872     13.18215911    -11.80338671
  O     11.83670739      7.70153591    -12.53660698
  H     15.21867797      6.58062579    -11.27511122
  H     13.67225548     12.09197393    -11.23697465
  O     13.70853392     10.59771362    -10.06261045
  H     16.38169804      6.60919425    -12.28861533
  H     14.74146846      9.90403835    -11.37438591
  O     19.27895746      9.43398530    -11.96446268
  H     11.32009743      7.12200452    -13.11580130
  H     15.61465896      8.67788607    -11.81720180
  O     13.14779228      5.25845248    -15.28938831
  H     12.35439205      8.28535103    -13.10825294
  H     16.75106812      9.99639043    -15.95054888
  O     16.55036584      5.85999528    -13.94122048
  H     14.28204812     10.25040447     -9.36591185
  H     17.45668257      9.33538602    -17.15847507
  O     13.47925938      9.29844156    -14.09106864
  H     12.88909814     10.08616206    -10.04203447
  H     18.05449130      8.41479669    -14.85722629
  O     14.53802730      4.05016830    -13.07627931
  H     20.23169432      9.40109965    -11.94105902
  H     17.97532917      7.11939592    -14.03779145
  O     15.42840735      9.24564982     -8.30282655
  H     19.00214543      8.87654205    -12.71415520
  H     10.55164270      9.03190347     -9.92054751
  O     17.60980863      8.53202657     -9.76501129
  H     13.61083160      4.75086633    -14.61225652
  H     11.52857175      8.47338167    -10.98186877
  O     13.43546133      7.19898955     -8.86340330
  H     13.74317240      5.97604981    -15.54111422
  H     12.94767865      6.43828986    -11.74893068
  O     13.76911493     12.72380698    -11.95897132
  H     16.01674421      5.09405960    -13.69761163
  H     13.48939400      6.15345911    -10.32453848
  O     15.28602427      9.54451109    -12.08787306
  H     15.99085063      6.40135548    -14.51903492
  H     10.00026430      5.71168697    -14.90493379
  O     17.05677049      9.14567241    -16.31399095
  H     14.17240182      9.36601951    -13.41414685
  H     11.53030518      5.70358361    -14.73596949
  O     18.43887763      7.96370932    -14.09551119
  H     13.32501405     10.20228467    -14.38928109
  H     16.77528453     12.92921451    -11.93931407
  O     11.47639355      8.88705027    -10.10283338
  H     14.14872730      4.60644487    -12.38056184
  H     16.89628850     14.46063764    -11.89524977
  O     13.53223579      5.85526563    -11.24558353
  H     14.48842907      3.14967421    -12.76557564
  H     14.36069649      8.07933920    -15.10465734
  O     10.69936901      5.99908189    -14.32489597
  H     15.69514278      9.44409266     -7.40874490
  H     15.63849561      7.98223007    -15.96482528
  O     16.33366859     13.73708078    -11.63122353
  H     16.24357538      9.04350617     -8.79476864
  H     13.56359559     12.31263730    -13.62374311
  O     14.93546559      7.45293297    -15.56766929
  H     17.16646770      7.83040783    -10.26542228
  H     12.95138367     12.70763269    -14.98780002
  O     13.49826917     12.05378472    -14.56155119
  H     18.22719341      8.92802111    -10.38905927
  H     16.57171170     10.73424885    -12.41331899
  O     17.31411069     11.33252263    -12.59305764
  H     14.14805030      7.79908342     -8.61438735
  H     18.10762850     10.82937524    -12.37829850
          69
 Energy    -249.43894905433149     
  O      0.70114014      0.04422611      5.62433554
  H      0.32803494      0.74045153      5.05461611
  H     -1.42300358      0.60487897      0.88536134
  O      3.58259380     -2.33522406     -1.41556431
  H      1.03018295      0.47760939      6.40803900
  H     -4.30939921      0.43544430      4.22052269
  O     -1.88900831     -1.29628752      5.73190297
  H      3.47395434     -3.16893584     -0.94011822
  H     -3.44254345      1.56004666      4.79849927
  O      1.04930262     -1.47567055     -0.81557896
  H      4.13978768     -1.78284480     -0.85254872
  H      1.29097561      1.64982406      1.36967874
  O      3.02877280     -4.55875208      0.35314130
  H     -1.01499872     -0.89542023      5.76550499
  H     -0.07227843      2.17751849      0.88524691
  O      4.04663151     -2.88186438      2.23873911
  H     -2.52205678     -0.59107262      5.52610878
  H     -1.33687142     -0.72242438     -2.81818596
  O     -3.69678764      2.33567792      1.67682284
  H      0.72638256     -2.28691878     -0.39746944
  H     -0.44151271     -0.91880950     -1.57247065
  O     -3.56787610     -2.04088189      2.22899573
  H      1.91629797     -1.69079586     -1.18916928
  H     -2.13967439     -0.81912112      2.44468073
  O     -0.45028220      1.79087681      3.90959941
  H      3.38949735     -4.01814502      1.07867503
  H     -1.13461537      0.25666229      3.00347597
  O      4.78952717     -0.66762591      0.58639133
  H      3.48514841     -5.39563914      0.38282889
  H      1.17558742     -4.23989115      0.31692550
  O     -5.21874640      0.08039836      2.55561430
  H      4.46997665     -2.16966696      1.74304979
  H      0.14286474     -3.62936464      1.29970822
  O     -1.59398159      1.23250350      0.16595528
  H      3.44135089     -2.44828542      2.85433775
  H      1.31598578     -2.11522184      3.44093268
  O     -3.69252171      0.63832849      4.93345781
  H     -3.02802429      2.02884136      1.05014457
  H      1.70575389     -0.96303199      4.38652725
  O      0.65960861      2.37328479      1.48461464
  H     -4.27339439      1.58369956      1.86105224
  H     -3.08500138      4.12735089      4.22889116
  O     -1.34457493     -0.70231801     -1.86468010
  H     -3.30736028     -2.64876440      2.93146435
  H     -3.15098470      2.98901551      3.18043252
  O     -1.25402012     -0.44390251      2.35028862
  H     -3.19544651     -2.36043719      1.39176660
  H      2.10466918     -0.45251040      2.09180694
  O      0.28764690     -3.86433989      0.37011128
  H     -1.22231181      2.35484940      4.03825444
  H      1.72400410     -0.45405431      0.57573689
  O      2.02423744     -1.48489294      3.64063263
  H     -0.00064757      2.08743555      3.10290387
  H     -2.79253593     -4.21261687      4.96190802
  O     -2.83329914      3.22191332      4.07273040
  H      3.91943811     -0.29750819      0.81434981
  H     -2.28339233     -2.74740996      4.93593783
  O      2.21159686      0.02727316      1.25903885
  H      5.40680309      0.05910018      0.59031212
  H     -0.88349835     -3.30339646      3.43940956
  O     -2.47963088     -3.52629028      4.38019460
  H     -6.13790702     -0.13626306      2.42269755
  H     -0.50033262     -2.03119438      2.64766995
  O     -0.18835978     -2.91774786      2.89375508
  H     -4.71189116     -0.73242478      2.38577418
  H     -1.52726684     -3.31576208     -0.03458979
  O     -2.33352012     -2.78979927     -0.10578716
  H     -1.59391762      0.70682103     -0.64154623
  H     -2.13869971     -2.09482217     -0.74540956
          69
 Energy    -249.43886708599490     
  O     -0.89845047      2.90146887      2.51430619
  H     -0.29858977      2.54346654      1.83414955
  H      0.29614574      8.66169682      0.05321206
  O     -2.94100340      6.05224826     -0.18821479
  H     -0.93205013      2.25659407      3.21626940
  H      1.46640216      2.03871776      0.14097558
  O      4.04848555      7.24257873      0.00763832
  H     -2.63804565      6.64343230      0.51122559
  H     -0.00111846      1.72369273     -0.25192964
  O      2.73881830      8.65031894      2.13919008
  H     -2.38248405      6.18090776     -0.96827674
  H      0.37768408      4.47438077     -1.23593940
  O     -1.50189502      6.25957949     -2.57894152
  H      3.98482654      6.34983593      0.37428382
  H     -0.40838513      3.34371410     -1.96901005
  O      3.21115078      2.42772722     -0.56003718
  H      3.65839801      7.82628111      0.66863267
  H     -0.16421677      7.39147670     -2.01591707
  O      0.80263965      5.51212488      0.17741639
  H      3.19321463      9.26020486      2.71460133
  H      1.39030897      7.58556405     -1.98071670
  O     -2.00743789      7.61706998      1.94244104
  H      2.65992357      7.81097946      2.62742310
  H     -4.14031814      1.57525370     -3.82324060
  O     -1.50743587      2.00597533     -1.46592384
  H     -0.90150882      5.50014152     -2.52303068
  H     -4.28040506      2.35568757     -2.49461219
  O     -0.22227648      5.59897559      2.78447170
  H     -2.26022298      5.96247739     -3.10105374
  H     -4.58500360      5.88006626     -0.91728482
  O     -2.87563081      3.35473802      0.56161235
  H      3.14518829      3.03896344     -1.31575997
  H     -5.99935267      6.40066436     -1.26268489
  O      0.15707549      8.87415286      0.98702595
  H      3.83010331      1.74790987     -0.81307106
  H     -3.65245820      4.11348812     -3.66214135
  O      0.58631006      1.87371460      0.49899852
  H      0.75317987      6.36687052     -0.26958396
  H     -4.42056109      5.29539322     -3.04861253
  O      0.14373519      4.12266743     -2.10972890
  H      0.41594039      5.60762548      1.05611955
  H      3.03287060      5.14366347     -2.61693354
  O      0.56751946      7.77239210     -1.51056145
  H     -1.23727290      8.11995715      1.61613246
  H      1.88856786      4.11991204     -2.61918997
  O     -3.69310085      2.19782935     -3.25569787
  H     -2.52031055      8.21584283      2.47835880
  H      2.89275824      5.60359034      2.69055749
  O     -5.39886633      5.67390828     -1.40686993
  H     -1.98665209      2.44345078     -0.74586138
  H      1.52494722      5.99763691      3.28380102
  O     -3.72839741      5.07502599     -3.68372726
  H     -2.14408883      1.92666484     -2.18646725
  H      2.44999356      5.02051035      0.71677811
  O      2.85412600      4.19712568     -2.59776500
  H     -0.95835899      6.20489839      2.63732817
  H      3.47502212      3.88360288      0.65126689
  O      2.46661039      6.21667968      3.30489944
  H     -0.54786476      4.68895460      2.77490706
  H     -5.42825922      3.77584024     -1.15672788
  O      3.31653699      4.74290666      1.05523044
  H     -2.29928566      3.20909027      1.32073358
  H     -4.46234948      2.89531523     -0.35256940
  O     -5.14151293      2.86109233     -1.04031944
  H     -2.84800002      4.29787279      0.34676215
  H      3.67422047      7.54781084     -3.12291019
  O      3.11051533      7.07791544     -2.51380297
  H      1.02895191      8.86653430      1.40052177
  H      3.50706598      7.17767624     -1.62870160
          69
 Energy    -249.43884860508362     
  O     13.48652625      9.65312597    -13.93895988
  H     12.83778125     10.25295218    -13.58083844
  H     17.91394924      4.73755397    -19.15013227
  O     14.91301025      4.29463133    -17.37176339
  H     12.99722884      8.90267328    -14.32413444
  H     20.06789403      7.63889650    -14.23338603
  O     17.34388281      6.58128482    -11.74533038
  H     15.80606083      4.43691661    -17.70827375
  H     19.73511374      6.60804596    -15.32968855
  O     19.59785836      9.12435475    -16.99213868
  H     14.99824630      3.99247630    -16.45665157
  H     16.34719529      8.35698243    -15.32771215
  O     17.55219269      7.81364086    -18.49368300
  H     18.02008452      7.21419610    -12.01743933
  H     15.91188778      7.37077439    -14.22989798
  O     13.49887717      3.99428115    -10.84011248
  H     16.49051204      6.99552300    -11.94408218
  H     12.48845980      6.68871343    -14.35342019
  O     15.11816632      3.73102945    -14.59150842
  H     20.35348278      9.52348014    -17.41636272
  H     12.85655613      7.22075105    -15.74892437
  O     14.96348599      7.58542659    -12.65606054
  H     19.94556176      8.46724034    -16.36263305
  H     18.04858675      1.75364698    -11.54346890
  O     18.28265276      5.58505399    -15.73748492
  H     16.75122385      8.34826996    -18.46555952
  H     17.49033482      2.96666258    -12.32379259
  O     14.58556902      1.92921823    -12.56452709
  H     18.23024468      8.29470792    -18.00277580
  H     14.33241595      5.96174182    -17.20811059
  O     18.27976956     10.18513954    -14.69052528
  H     12.98214227      3.89481756    -10.04514963
  H     14.95275166      7.02140438    -16.27698936
  O     17.51140378      5.09675158    -18.36395551
  H     14.40376906      4.22121837    -10.56062514
  H     19.72083439      9.02572339    -12.15376942
  O     20.34553385      7.32442609    -15.10172681
  H     15.98060970      3.99892852    -14.25062291
  H     18.79363879      9.12369478    -13.38333285
  O     16.31453065      7.41817446    -15.10617950
  H     14.84462022      2.98253914    -14.04032525
  H     17.99782238      4.66940567    -14.24148302
  O     12.34454588      7.43067203    -14.95575153
  H     14.49500403      8.38186322    -12.93056307
  H     17.54740630      5.12520541    -12.82453019
  O     17.28037891      2.31087978    -11.63564789
  H     14.36091107      6.83870958    -12.79342536
  H     16.56131979      3.71099757    -10.54527417
  O     14.25295875      6.88615603    -16.93202173
  H     18.11638685      5.28485702    -16.63850106
  H     16.58634300      5.25368235    -10.57321730
  O     19.17097865      8.50384063    -12.73396637
  H     17.61015228      6.25723682    -15.54145893
  H     14.45250038      9.42229466    -18.93444967
  O     17.62722556      4.35542240    -13.40551651
  H     15.48328237      1.88507919    -12.21063432
  H     14.64135467      8.32847702    -17.85501774
  O     16.10357843      4.49677096    -10.21926772
  H     14.09842389      2.49624239    -11.95434801
  H     13.90779747      4.86987095    -13.80293253
  O     15.01394105      9.15482702    -18.21153294
  H     17.37002747     10.37078097    -14.95775816
  H     13.25282932      4.95326155    -12.40196109
  O     13.35201572      5.42584637    -13.23832979
  H     18.74201659      9.94139391    -15.50247428
  H     15.41756973      9.96578361    -16.55987409
  O     15.68428272     10.13800501    -15.64804039
  H     17.50195273      6.06528159    -18.47118706
  H     14.89704606     10.06100500    -15.09272433
          69
 Energy    -249.43881467575935     
  O     13.57836781      9.25980685    -10.87504169
  H     13.30467178      9.67683352    -11.70485566
  H     12.33994781      6.47092439    -11.22837785
  O     13.61824357     10.01817406    -16.81170873
  H     14.22784871      9.84514483    -10.46795241
  H     18.93971384      7.81912801    -12.60376830
  O     15.92229438     10.93874869    -12.86143041
  H     13.19874259     10.78480210    -16.40067695
  H     18.68941584      8.38229020    -14.01710467
  O     14.20891107      4.26655297    -13.14294909
  H     13.33399803      9.25210222    -16.29826701
  H     13.72949101     12.58498805    -15.18667349
  O     16.43124135      8.44077399     -8.78983213
  H     16.01528316     10.92656928    -11.90236936
  H     12.28280935     13.09394242    -15.40815842
  O     15.46710263     12.74988721    -15.00813704
  H     15.01146277     10.67070953    -13.05064676
  H     14.03321888      7.71676262    -14.89949151
  O     15.48086482      7.37902953    -11.96983271
  H     14.67307058      4.29945654    -12.29499641
  H     12.65540316      7.31051498    -14.32615053
  O     13.21670306     10.28795869    -13.37183706
  H     14.88825251      4.27911144    -13.82715068
  H     16.46818133     10.93420600    -17.91196244
  O     18.58302871      4.97832750    -13.50424050
  H     15.80332343      7.71816468     -8.67927790
  H     15.31160964     10.48050478    -16.98961199
  O     16.23049718      4.69209614    -15.11823698
  H     17.12505347      8.11364654     -9.38012544
  H     11.31102915      5.46839403    -13.26284183
  O     18.37246931      4.71314230    -10.85482314
  H     15.83804414     12.22942340    -15.73232793
  H     12.84594950      5.33118041    -13.14965471
  O     12.52787279      6.79516332    -10.34111561
  H     15.74591040     12.30473510    -14.19711518
  H     14.18526783      5.94699698     -7.75405445
  O     19.16017005      7.69182328    -13.53485868
  H     15.38987375      6.49515646    -11.58863285
  H     13.75648028      6.39570013     -9.17061396
  O     12.79985920     12.30533793    -15.27140968
  H     14.82191686      7.95317726    -11.56387049
  H     16.54070708      4.70334561    -10.73422567
  O     13.09683756      7.96741768    -14.87834464
  H     13.13798080      9.47958973    -13.89882579
  H     15.28216028      5.16395950     -9.92971372
  O     16.22026400     10.83003679    -16.99717571
  H     12.93598364     11.02047549    -13.93225244
  H     18.27522349      6.60269894    -10.77584053
  O     12.10940707      5.96815273    -13.10837016
  H     17.84058073      4.79526449    -14.08926220
  H     17.19562893      7.56632964    -11.32244347
  O     14.52787777      6.22272346     -8.60042439
  H     18.83169039      5.90576885    -13.64072047
  H     16.37620638      8.06037695    -14.84394124
  O     15.58316317      4.82663914    -10.78313566
  H     16.22470148      4.46726999    -16.04531365
  H     15.66142416      7.30359074    -13.70300525
  O     18.05682636      7.53850292    -10.87752739
  H     16.07646722      5.65128480    -15.05979162
  H     16.06202897      9.97719065     -9.51234067
  O     15.76236472      7.33686031    -14.66829219
  H     18.48409767      4.73462191    -11.82464662
  H     15.88899575     11.50830182     -9.39460025
  O     15.77792013     10.77487575     -9.99385965
  H     19.06697470      4.16093593    -10.50794704
  H     17.13954444      9.99838296    -15.60338021
  O     17.40694354      9.55740254    -14.78754318
  H     12.74663740      7.73370969    -10.44889509
  H     16.98135003     10.03576994    -14.06085113
          69
 Energy    -249.43858925117667     
  O     16.37576751     12.04363892    -15.94587567
  H     16.35642703     12.98481922    -16.09762406
  H     16.85249680      4.13155749    -15.87823619
  O     15.34896343      5.98120111    -13.73393871
  H     15.45230960     11.76415521    -15.81086748
  H     18.74454699      5.31516984    -12.98494528
  O     18.50972690      8.73615803    -12.15225370
  H     16.04831364      5.89509521    -13.07254444
  H     19.57949894      6.06659350    -14.03611113
  O     18.46546768      5.97948545    -17.95670813
  H     15.49272319      5.32375500    -14.43190379
  H     20.38507587      8.85462538    -17.97033289
  O     15.82851916      5.71279787    -18.41958746
  H     17.98340514      9.43425468    -12.56960412
  H     18.93951575      9.08155869    -17.47669778
  O     14.54263850     10.13267776     -9.94482737
  H     19.11514572      8.45035909    -12.84795189
  H     16.31294100      8.09534474    -15.91446567
  O     13.33106403      7.80960667    -13.42599376
  H     18.93863844      6.79101724    -17.74203626
  H     16.24436948      7.27297472    -14.59918631
  O     16.94848629     10.37253748    -13.74791605
  H     18.68186650      5.32733055    -17.27745246
  H     13.90623511     11.00007618    -14.39255646
  O     18.73304369      3.94220595    -15.99184117
  H     15.68280327      5.27661885    -19.25453626
  H     13.46498345     10.36993713    -15.71902643
  O     13.63237711      7.47518190    -10.53977052
  H     16.79375366      5.81845439    -18.32112993
  H     15.68324390      5.73358594     -8.83811582
  O     19.46407435      7.79030881    -14.65949354
  H     15.45006612      9.79197781     -9.84671514
  H     15.04612184      6.64163197     -9.91787578
  O     15.91789557      4.37490081    -15.86226790
  H     14.38257731     10.71124087     -9.20448946
  H     11.96136306      8.35138496    -16.30606978
  O     19.38289226      5.18151291    -13.69627345
  H     14.02250121      7.13391733    -13.51281190
  H     12.95725859      8.22805561    -15.13379748
  O     19.72114499      8.50865949    -17.37964859
  H     13.74870552      8.64785845    -13.17669605
  H     16.95260727      6.05618428    -11.04618350
  O     16.72281609      7.98064630    -15.04892881
  H     16.85684738      9.53387204    -14.23064802
  H     17.75924718      7.02007701    -11.95496523
  O     13.86576863     11.16236759    -15.34560930
  H     16.92191437     11.06635220    -14.41641641
  H     16.73646816      8.04127604     -9.56574901
  O     15.89234319      6.30979492     -9.56805237
  H     19.20710856      3.11870413    -16.06867129
  H     17.63338484      8.93599398    -10.45143970
  O     12.85939489      8.54394946    -16.04762212
  H     18.98989770      4.33389051    -15.13801838
  H     17.17923610     10.76964212    -17.11867802
  O     17.42137856      6.11624753    -11.88821957
  H     13.78316839      8.39870235    -10.30025684
  H     16.68191664      9.45895363    -17.74795967
  O     16.98282664      8.95885829     -9.73914198
  H     13.35566425      7.47799770    -11.46270522
  H     15.32160797     10.35121687    -13.00047472
  O     17.46520624     10.01750993    -17.64988841
  H     19.80692568      8.07855438    -15.51228812
  H     14.38171763     10.37070695    -11.76442286
  O     14.39388043     10.30083493    -12.72608246
  H     18.50135185      7.78497179    -14.78286367
  H     14.42254623      8.32536104    -17.04264331
  O     15.29928414      8.25469650    -17.44013245
  H     15.74255319      4.77516835    -16.72170749
  H     15.37795887      7.37554939    -17.83523280
          69
 Energy    -249.43853618419158     
  O     -5.53633663      6.18732856     -9.55487920
  H     -4.58751062      6.34391321     -9.63495246
  H     -7.00865446      3.51968753    -11.36454014
  O     -6.20385326      1.59522107     -6.50637489
  H     -5.74251373      5.39785083    -10.06981158
  H     -2.63989195      1.57650359     -4.64214802
  O     -4.65374430      5.04427890     -5.67519925
  H     -5.38119910      1.95589606     -6.87503720
  H     -4.05212106      1.71568916     -4.03068814
  O     -3.08171865     -0.00780803     -9.41032165
  H     -6.19763504      1.88730884     -5.58840182
  H     -0.03331428      1.70039094    -11.22945249
  O     -3.92317903      2.90880836     -7.32486451
  H     -3.83547423      5.47883766     -5.96233294
  H      0.75595970      2.56434973    -12.24128391
  O     -6.78992055      6.01656021     -7.18101152
  H     -5.39525582      5.46061022     -6.13478819
  H     -1.09872726      2.81883395     -6.54461698
  O     -7.49906931      3.42066246     -8.22640250
  H     -3.80791012     -0.35518040     -8.86993757
  H     -1.38899394      1.28667314     -6.47719592
  O     -3.22189448     -1.31392480     -5.32190892
  H     -3.36754934      0.86105138     -9.72265687
  H     -0.92625556      4.10816271     -8.50099132
  O     -0.56987213      0.12284398    -10.73700957
  H     -3.12517500      2.57644063     -6.89335731
  H      0.38983693      3.58630638     -7.91356482
  O     -1.39522130     -0.38818487     -7.23934730
  H     -4.17347611      3.71729662     -6.86069924
  H     -4.45853760     -1.05498171     -6.77234520
  O      1.05991425     -0.33576041     -8.42312387
  H     -7.40012596      6.74069541     -7.07066488
  H     -5.55214456     -0.07008244     -7.20631953
  O     -6.37208529      3.68343526    -10.67414612
  H     -6.34314600      6.15250327     -8.03724896
  H     -2.53358496      6.33215315     -7.72368078
  O     -3.30841115      1.10946180     -4.12089049
  H     -7.36962503      4.25886362     -7.76702538
  H     -1.60460803      5.40981000     -6.92711101
  O      0.32181731      2.59304702    -11.39302975
  H     -7.19123300      2.72814419     -7.62744173
  H     -2.31690194      5.78051288     -9.92057920
  O     -1.58652221      2.13719970     -6.06231702
  H     -3.30277738     -0.47690077     -4.82948109
  H     -2.26773538      7.31942365    -10.05926374
  O     -0.42703181      4.04910503     -7.67563926
  H     -3.25981906     -2.01695719     -4.67948817
  H     -4.73373244      2.90017414    -10.36242447
  O     -4.96513345     -0.76022974     -7.53907102
  H      0.03580459     -0.15037594    -10.03652954
  H     -3.92511570      2.73531372     -9.04612784
  O     -2.36591694      5.99605766     -6.83519166
  H     -1.46173658     -0.03360499    -10.40109796
  H     -5.89458357      3.29484304     -3.26798456
  O     -2.73887639      6.60780832     -9.63250894
  H     -1.96622470     -0.23947415     -8.00868322
  H     -5.17367347      3.73075594     -4.56087865
  O     -3.89008474      2.59621071    -10.00769011
  H     -1.93307872     -0.82579097     -6.56764361
  H     -2.44078185      3.59579205    -10.23898536
  O     -5.49486834      2.95809466     -4.06605743
  H      0.23855333     -0.41514666     -7.90859116
  H     -0.96125581      3.71231620    -10.70981247
  O     -1.66419146      4.17519356    -10.23742652
  H      1.62619902     -1.05275482     -8.14940721
  H      1.49006224      1.53769891     -8.58367881
  O      1.55739434      2.48185495     -8.77114234
  H     -6.83002713      3.53158691     -9.82694462
  H      1.28292448      2.57913007     -9.69130952
          69
 Energy    -249.43840679442087     
  O     -2.14924933      2.39318666      0.22635777
  H     -2.51897597      2.08683164      1.06852141
  H     -4.60575472      3.22842154      5.32866060
  O     -1.90939576      5.14428985      0.64703669
  H     -2.11108084      3.35684879      0.27015274
  H      1.15317479     -1.79253090      3.88473867
  O      3.29382353     -1.08477929      1.59817186
  H     -2.12562462      5.13775843      1.59900142
  H      2.54061218     -1.39536405      3.37566314
  O      0.51818199      1.74099573      2.78652927
  H     -2.32295650      5.91941798      0.27690291
  H     -1.21362657     -2.61363753      2.44271368
  O     -3.02323043      0.20358071     -1.25446462
  H      2.45868678     -1.20076599      1.11347873
  H      0.02889644     -1.82119137      1.98676287
  O     -2.31481562      5.02152472      3.29313344
  H      3.91990516     -1.69370950      1.21468763
  H      3.43079957      0.70506607      2.14946861
  O     -1.41544137     -2.17840161     -0.81059590
  H      1.45506110      1.59174885      2.96668372
  H      3.19408951      2.19419796      1.77548808
  O     -3.24890875      1.42617963      2.59404764
  H      0.41039970      1.64177608      1.83386192
  H      0.77947098      4.95390476      2.35148518
  O      0.46357048      1.47373238      0.00296319
  H     -2.71971729      1.01688738     -0.82065831
  H     -0.01770068      5.18106379      1.05248457
  O     -4.19031129     -0.79839602      1.15818916
  H     -3.40623539      0.46696458     -2.08810164
  H      0.26718111      3.35957446      3.52208558
  O      0.89282713      2.93057472      6.42022645
  H     -2.92953370      4.47569140      3.79661343
  H      0.51291751      3.99605287      4.89343611
  O     -3.85180621      3.15453484      4.75039312
  H     -1.43470262      4.81451348      3.63848429
  H      2.28429532      0.21945306      4.99215151
  O      1.99024159     -1.40688496      4.16778466
  H     -1.90000529     -2.61284983     -0.09750863
  H      3.05472860      1.42277047      4.42849440
  O     -0.41551890     -2.17878323      2.76814037
  H     -1.92791136     -1.39313044     -1.03876171
  H     -1.63974704      1.19508816      5.48788888
  O      3.34419302      1.59555091      2.51678072
  H     -2.58213087      0.90794745      3.07001955
  H     -0.91888119      2.31560947      6.26117480
  O      0.87752832      5.09553187      1.39973807
  H     -3.60738323      2.04708972      3.23822147
  H     -0.59862606      0.70437196      3.67303853
  O      0.26407074      4.21062927      3.98768889
  H      1.15053896      2.15089939     -0.05005869
  H     -1.08108057     -0.75913064      3.69795427
  O      2.52071180      1.13972052      5.18036544
  H     -0.40863248      1.88910303     -0.03656698
  H      0.73300674     -0.26753355      0.22209742
  O     -1.79284253      1.96846420      6.04936425
  H     -3.94298323     -0.51014088      0.27100317
  H      0.15384692     -1.66066405     -0.11213361
  O     -1.29340456      0.12388158      4.02222309
  H     -4.01294124     -0.04040327      1.73071961
  H     -3.34802295     -2.29732447      1.48049043
  O      0.84070275     -1.21295578      0.40221778
  H      1.47708160      2.26774267      6.00963049
  H     -3.38165423     -3.83016073      1.68582679
  O     -2.79171811     -3.09370019      1.54975061
  H      1.28574086      3.15295239      7.25997114
  H      2.01112422      4.00294359      0.70312600
  O      2.57092803      3.30795680      0.31091069
  H     -3.12876527      2.77053138      5.28009166
  H      3.17679981      3.74454957     -0.28177116
          69
 Energy    -249.43835615335593     
  O     -2.82438590      3.81923468      3.74258383
  H     -2.63458159      3.92548365      2.80167973
  H     -3.32998506      1.56707033      0.13981671
  O     -1.36021518      0.25078165      3.62953666
  H     -1.98051498      3.57052124      4.14704499
  H     -6.82371706      3.35378285      1.14042321
  O     -3.30237199     -1.49032653     -1.27729232
  H     -2.27819505      0.53929504      3.73597788
  H     -5.64917095      4.00370388      0.36685836
  O     -1.08577240     -1.97275689      0.18536718
  H     -1.12796707      0.40674090      2.70410770
  H      1.39784290      3.22079034      1.29231329
  O     -4.63079346      1.06214407      1.17778708
  H     -4.08844638     -1.60161522     -0.72163891
  H      0.23273881      2.20913672      1.35725713
  O     -7.57502279      3.52104106      2.84352050
  H     -3.50055818     -0.74679317     -1.85560396
  H     -5.10699409      5.31566004      2.45881343
  O     -8.05538257     -0.37987345      0.12901492
  H     -0.61514619     -2.70824157     -0.19745978
  H     -4.50962572      4.63245236      3.69134333
  O     -3.96707910      1.28440918      3.79970184
  H     -1.87105788     -1.82168346     -0.37201204
  H     -2.30645398      3.40499559      0.39111832
  O     -4.08676117      0.89992764     -2.69649695
  H     -5.28441964      1.72262028      0.91491045
  H     -1.13904237      3.99913130      1.20286291
  O     -5.48647752     -1.47053144      0.39924143
  H     -4.94071580      0.18855947      0.90247939
  H     -3.56186034      5.08580169      0.72921751
  O     -5.06015286     -2.45605308      2.86987892
  H     -6.78510085      4.01175028      3.13167678
  H     -4.36840928      6.25716215      0.12716700
  O     -2.67993566      1.91330056     -0.49349347
  H     -8.32934316      4.03570009      3.11968073
  H     -6.08502443     -0.41710291      5.54919698
  O     -6.24568374      3.24519180      0.37423871
  H     -8.91357549     -0.78994125      0.06297587
  H     -5.25601278      0.25730241      4.43210330
  O      0.50646827      3.10639213      1.61285027
  H     -7.99772525      0.00453764      1.02250623
  H     -0.57872765      1.86086922      4.31292514
  O     -5.33814521      4.97646094      3.33195424
  H     -3.64637964      2.18975984      3.89653246
  H      0.09726389      2.99894716      3.54345345
  O     -2.07001431      4.13195288      0.98850136
  H     -4.20596470      1.17405522      2.86526208
  H     -7.73549489      1.63631045      2.76984569
  O     -4.45639681      5.45172695      0.63110354
  H     -4.98875832      1.02210817     -2.35000745
  H     -7.23977792      0.27501221      3.29979495
  O     -6.00371287     -0.34105930      4.60177701
  H     -4.14667182      0.98509634     -3.64414044
  H     -1.90058504     -2.31102892      1.92305570
  O     -0.34655838      2.79783006      4.37561581
  H     -6.41881936     -1.27143819      0.26104681
  H     -1.90157506     -1.55134592      3.25355851
  O     -7.77911888      0.68569444      2.61286447
  H     -5.38989267     -1.91128455      1.25933078
  H     -1.29676166      1.08592644      0.34349238
  O     -2.28785486     -2.31372933      2.80572520
  H     -5.37357275     -1.84299558      3.54297469
  H     -0.61378016     -0.25832836      0.66336402
  O     -0.61132220      0.68013239      0.89351129
  H     -4.09193861     -2.46927902      2.92408437
  H     -7.12135369      0.70168911     -1.16587280
  O     -6.56512794      1.33296725     -1.63745122
  H     -3.01575333      1.67055327     -1.36330062
  H     -6.52802319      2.11163986     -1.06524920
          69
 Energy    -249.43809177371674     
  O     -6.20563375     -2.19304277      5.58087886
  H     -7.05388048     -1.96087395      5.97596395
  H     -6.85345114      0.86175634      4.24065546
  O     -5.75824771      0.73023136      0.11570533
  H     -5.55885728     -1.58239948      5.95654595
  H     -3.78351646     -0.16078245      5.47304664
  O     -6.14494313      1.74312174      5.73278432
  H     -5.85686700     -0.22799461      0.12224514
  H     -3.54701461     -0.29213407      6.99734644
  O     -6.66504820      5.44001667      0.46486244
  H     -6.61463531      1.07607730      0.41217098
  H     -1.94518846      4.28112357      0.33911867
  O    -10.60522259      0.43129040      0.56037237
  H     -5.76306775      2.43613994      5.17710419
  H     -3.25530703      4.61072131      1.09764867
  O     -8.76293610     -1.35316948      6.65264628
  H     -5.43858398      1.14690426      6.01286086
  H    -10.29369137      3.91356323      4.69358477
  O     -3.23574211     -0.14600046      3.83980315
  H     -6.24736544      4.70780009     -0.02347352
  H     -9.14287442      3.49422457      3.76090115
  O     -5.30354186      3.42831900     -0.78870195
  H     -6.97446398      6.06196424     -0.18837138
  H    -10.59950289      0.12728853      3.54173955
  O     -9.36032749     -1.20604273      3.92794500
  H    -11.34729322      0.61604813     -0.00772101
  H    -10.71076969      1.66980389      3.58043713
  O     -6.48852120     -2.06372389      0.46568017
  H    -10.89336670      0.61233280      1.47452583
  H     -5.73587836     -2.11431322      3.80943150
  O     -3.96345311      1.83200596      1.98898641
  H     -8.80581728     -0.38019074      6.62194804
  H     -5.74640953     -2.05536365      2.21541308
  O     -7.12818418      0.38463307      3.44888300
  H     -9.17124289     -1.61990488      7.47159074
  H     -9.23070667     -1.85499118      2.17875734
  O     -4.22974280     -0.19389215      6.33958592
  H     -3.32822642      0.60444428      3.23988239
  H     -9.65313937     -1.20888508      0.85224032
  O     -2.82139685      3.95473572      0.52287655
  H     -3.85007781     -0.81190169      3.49503422
  H     -9.21120537      1.93282452      5.78297915
  O     -9.81048260      3.15307216      4.37638367
  H     -4.39401892      3.59243972     -0.50719066
  H     -7.82719234      1.56275335      6.32974501
  O    -11.08158341      0.87981439      3.17040627
  H     -5.44904799      2.48280970     -0.66551849
  H     -4.59633355      4.99562359      2.83913576
  O     -5.34043411     -1.71404767      3.01915879
  H     -8.58383435     -0.64354875      3.78326817
  H     -5.11370715      5.71210274      1.58234874
  O     -9.08532770     -1.89427859      1.22361453
  H     -9.31783319     -1.45681462      4.85736274
  H     -4.92518732      2.87263351      3.14522078
  O     -8.77083132      1.35919860      6.41834592
  H     -7.43352114     -2.02120191      0.69762932
  H     -6.26762129      3.63596345      3.35547526
  O     -4.32074599      5.57470185      2.11591231
  H     -6.39114556     -2.78999136     -0.14481316
  H     -8.96846003      1.19708156      0.91806486
  O     -5.38803839      3.49143957      3.73029172
  H     -4.54920332      1.38543404      1.36240016
  H     -7.84336604      1.09492191      2.01045001
  O     -8.12683907      1.56660209      1.20904345
  H     -3.44600330      2.47231394      1.48552624
  H     -8.01814181      3.12727732      1.98661452
  O     -7.90363972      3.94561708      2.49642777
  H     -6.44756419     -0.27723864      3.26615073
  H     -7.58371842      4.60043800      1.86397169
          69
 Energy    -249.43746869304951     
  O     16.81544229     10.09379416    -15.34175977
  H     17.38022268      9.90454855    -14.58543150
  H     18.13060664      3.47534055    -16.22683210
  O     13.56882644      4.97617275    -16.68157019
  H     15.92446049      9.78864455    -15.11102336
  H     18.44311741      8.04254429    -17.33420517
  O     17.57125622      4.56393713    -12.29878190
  H     14.33212200      4.38742258    -16.65401306
  H     19.17940714      6.68710495    -17.57753104
  O     19.21367936      5.18917802    -18.66189112
  H     13.89963292      5.80791358    -17.04293938
  H     17.67124890      6.59803755    -15.87065580
  O     16.50934189      5.00943725    -18.68261284
  H     17.28679599      5.48483188    -12.41043144
  H     16.82944380      6.57913567    -14.55368526
  O     13.75955500      6.14262164    -10.10443524
  H     18.43047138      4.49708611    -12.73036491
  H     14.26344019      8.36866021    -15.69342645
  O     13.44187598      4.88444901    -13.93892317
  H     19.61367000      4.96836503    -19.49852707
  H     14.08454751      8.44616402    -14.15724514
  O     16.72634018      7.09996181    -12.82331693
  H     18.24898241      5.12635064    -18.78243272
  H     13.47137389      2.69355110    -11.33276032
  O     16.18892091      3.70271419    -16.17424626
  H     15.99405454      5.78981166    -18.45011334
  H     13.87374555      1.24611113    -10.95900652
  O     12.35573713      4.03838448    -11.49666606
  H     16.34375818      4.37045757    -17.97678428
  H     19.67041722      4.25435741    -14.68335764
  O     20.00779644      7.43771393    -14.32546210
  H     14.50767338      5.51936552    -10.08570108
  H     20.76909841      4.14183771    -13.60363560
  O     19.07576025      3.66700281    -16.22706202
  H     13.64722056      6.46235449     -9.21319304
  H     15.14432716      2.56328184    -12.85044333
  O     19.00037998      7.37081788    -16.91953408
  H     13.30643045      4.94722799    -14.89376922
  H     16.30190501      3.55612868    -13.13201170
  O     16.86743494      6.25338473    -15.46085870
  H     14.19117373      4.28947906    -13.80222928
  H     16.48141609      4.34000460    -10.76948933
  O     14.32977298      8.95915297    -14.93817698
  H     15.78195300      7.28141172    -12.72598058
  H     15.29291473      3.42583041    -10.42292009
  O     14.21899276      2.07011592    -11.29080380
  H     17.21887000      7.92926193    -12.80404500
  H     15.65321001      8.00847993    -17.68603398
  O     19.96044194      4.59966848    -13.82109862
  H     16.44109680      4.60490185    -15.90891980
  H     15.67988704      6.91558621    -16.60907602
  O     15.57741342      3.06748896    -13.55007549
  H     15.94245382      3.25415822    -15.35429937
  H     13.75517438      6.46284961    -13.17170120
  O     15.72911366      4.24911616    -10.17086172
  H     12.65202879      4.77135035    -10.94346301
  H     13.83376891      7.05522204    -11.74966390
  O     15.14630998      7.26249187    -17.34364054
  H     12.51340461      4.32549087    -12.40733172
  H     18.93470646      9.84544136    -12.54304339
  O     13.97815948      7.26866227    -12.67983721
  H     19.81281540      7.47693255    -15.27233756
  H     19.06835415      8.65150273    -13.52203132
  O     18.43551774      9.27616718    -13.12204175
  H     20.02790581      6.50213964    -14.09332891
  H     17.17455581      9.99228526    -18.46066210
  O     17.12138050      9.25387311    -17.86050552
  H     19.25339154      4.11409618    -17.06301116
  H     17.03476411      9.62678559    -16.96178990
          69
 Energy    -249.43744766262540     
  O     15.74838670      2.68242231    -15.07023602
  H     15.71021446      3.62751707    -15.27052319
  H     18.14523893      6.25828397    -12.99358157
  O     18.84092895      8.42956194    -10.02356177
  H     16.59520709      2.54989614    -14.62484482
  H     16.17049401     10.61923028    -14.55759291
  O     13.68033338     12.02291746    -11.09745672
  H     18.93793007      8.23989157    -10.96478777
  H     17.51020089     10.10714003    -15.11252587
  O     19.27717941     10.25442066    -14.31500851
  H     18.04523247      7.95764841     -9.73743657
  H     14.37870076      8.26674101    -16.51906280
  O     18.08270235      2.70060168    -13.42853043
  H     13.25632367     12.83943656    -10.84884514
  H     15.47836485      8.78962352    -15.56859856
  O     12.72532814      9.32882122    -10.89634630
  H     14.31546883     11.80643930    -10.38903943
  H     15.16028971      8.29599650    -12.39605229
  O     16.32484379      7.32942848     -9.58528241
  H     19.01945263     10.85040425    -13.58746057
  H     16.09762031      8.26642907    -11.15300934
  O     13.56084784      7.82348691    -13.14989825
  H     20.04718591     10.63813390    -14.72491964
  H     13.24512767      1.53061713    -13.40306796
  O     18.33097210     11.79260379    -12.29846092
  H     18.07013858      3.66610114    -13.31405670
  H     14.47364712      2.31968302    -13.91795810
  O     14.09351828      8.69150323     -8.64064932
  H     18.99952679      2.44223731    -13.47673825
  H     15.10139357     10.34334884     -8.88707840
  O     15.71383992      5.50255364    -15.01043102
  H     12.88543864      8.84782405    -11.71805388
  H     16.37933064     11.12535052     -9.30308859
  O     17.70510879      5.39821926    -13.03574641
  H     12.92757819     10.25633240    -11.07199385
  H     15.00916771      5.14711289    -11.61678383
  O     16.56037516     10.09585016    -15.27290789
  H     15.54238271      7.68768208     -9.14691043
  H     15.91991757      4.09819426    -10.94386629
  O     14.81583466      8.08641353    -15.69051349
  H     16.09892355      6.46613431     -9.96153181
  H     15.80447967     10.35558959    -12.52657271
  O     15.99477396      8.62906687    -12.04212935
  H     13.85957265      7.98119697    -14.05469806
  H     14.93104858     11.62676241    -12.41308115
  O     13.84054962      2.24124820    -13.18119948
  H     13.46063273      6.86623433    -13.05064986
  H     18.83950739     11.37110748     -8.88002566
  O     15.42208775     11.19611420     -9.20303243
  H     18.38313900     11.59867934    -11.35539020
  H     18.50495893     10.09815030     -9.69010952
  O     15.76319975      5.05085547    -11.02063948
  H     17.38752438     11.77905722    -12.51233016
  H     13.61098451      4.11695306    -13.01056210
  O     15.66239504     11.23787890    -12.90507291
  H     13.48364102      8.56439222     -7.91889978
  H     14.42411070      5.19216388    -13.76335238
  O     18.25129201     11.02728524     -9.54777086
  H     13.55643784      8.86654952     -9.43449485
  H     15.28569669      2.18739364    -11.88066500
  O     13.79849675      5.06297823    -13.03347568
  H     16.47334960      5.56836791    -14.41430967
  H     16.81523315      2.30899783    -11.99922585
  O     16.08730953      2.34755419    -11.36646480
  H     15.50070416      6.39017214    -15.32263753
  H     17.64806844      8.25820870    -12.64222136
  O     18.55970242      7.98693326    -12.83598967
  H     17.09903869      5.34216907    -12.28366334
  H     18.93480535      8.67789871    -13.39391851
          69
 Energy    -249.43737212205718     
  O     18.23829819     12.21493853    -18.11465228
  H     17.97507246     11.57854693    -18.77513747
  H     17.90625433     14.07587899    -18.33361982
  O     18.88115418     18.14078682    -15.74117193
  H     17.68237317     12.05090886    -17.33232550
  H     20.55786830     15.48782507    -16.72921666
  O     19.92510553     11.04242187    -14.01350052
  H     18.10285273     17.61458565    -15.50688577
  H     19.83608197     14.58054522    -15.70722442
  O     16.04078697     16.23424817    -12.46336909
  H     19.16199387     18.56232520    -14.92189215
  H     13.40155507     13.90310126    -12.33762481
  O     15.23353561     15.66691483    -17.24729185
  H     20.21777418     11.28812915    -14.90235735
  H     14.88574802     13.48901978    -12.47650267
  O     16.21113293     12.53298478    -11.90655484
  H     20.05130097     11.82512732    -13.45998534
  H     17.32936827     15.19752688    -11.63909911
  O     14.55265925     13.46022063    -15.56801968
  H     16.29831482     16.38891471    -13.38494380
  H     18.43388411     15.26613254    -10.56180223
  O     20.63977730     12.01823431    -16.54427731
  H     15.30279567     15.61432908    -12.49832308
  H     15.93710066     12.41297989    -15.74670896
  O     21.97788794     15.22190906    -13.65251275
  H     14.70223388     16.13592721    -17.88463580
  H     16.89376048     11.36086936    -15.07953425
  O     17.60945143     18.31488906    -11.40922784
  H     16.05688590     15.40906258    -17.70153375
  H     19.50786086     17.31862611    -17.11260947
  O     19.93749574     13.49516933    -12.68850907
  H     16.64792382     11.83119262    -12.40323984
  H     20.19337504     17.33628067    -18.50174610
  O     17.59968951     14.99030368    -18.36419519
  H     16.89862864     13.09728004    -11.53203033
  H     21.40032624     16.60516396    -12.53226206
  O     20.71155132     14.82428676    -16.04641668
  H     14.38334678     13.76961932    -14.66987144
  H     20.60652213     17.93071959    -12.42454885
  O     14.20959044     14.11368756    -12.79836159
  H     14.66993828     14.24024258    -16.12426328
  H     19.58173556     20.17035687    -13.03698871
  O     17.97296981     14.66004418    -11.15545180
  H     20.86479812     12.95095219    -16.44048373
  H     18.74084697     18.95539420    -12.58864537
  O     16.79081184     11.95918220    -15.82907783
  H     19.89675529     12.01089926    -17.15975190
  H     20.03879208     16.85672005    -10.53546937
  O     19.81694086     16.75529603    -17.84674935
  H     21.59150781     15.14264656    -14.54092630
  H     19.82057388     16.83555288     -9.00208726
  O     21.03436980     17.23883596    -11.90412846
  H     22.88103468     14.92070613    -13.71962314
  H     18.30922329     10.60215838    -13.68653674
  O     19.46104422     19.23511542    -13.18183302
  H     16.94275569     17.68966124    -11.72378251
  H     17.24027954      9.54846091    -13.30495478
  O     19.38404459     16.68027819     -9.83481160
  H     18.12217529     17.84012412    -10.74383530
  H     18.78869621     13.85067378    -14.08016032
  O     17.35609283     10.46782584    -13.52848166
  H     20.66756927     14.10086344    -12.86221581
  H     17.80817113     13.36770652    -15.19230047
  O     18.30340519     14.12948589    -14.86745784
  H     19.32813928     13.92002597    -12.06837008
  H     17.35561663     15.61082955    -15.00609095
  O     16.82037323     16.41764531    -15.07745177
  H     18.37029926     15.55674916    -18.24136086
  H     16.19235824     16.27343201    -15.79525864
          69
 Energy    -249.43691507296779     
  O     10.42348983     11.10671818    -10.25360888
  H     10.56586413     11.88423784    -10.82422964
  H     14.63270794     12.20313602    -14.92103735
  O     13.22459647      9.14554275    -17.77724125
  H      9.50321255     11.11078526    -10.00553250
  H     17.15523594      6.65896769    -11.75351293
  O     12.12473601      9.14107938    -11.21197994
  H     13.52734752      8.88309547    -18.64204073
  H     15.82688207      7.43342126    -11.92895782
  O     13.89505026      8.62483806    -15.11299145
  H     13.22276772     10.12019804    -17.76361355
  H     14.15936488      7.72709681    -13.52406051
  O     14.52255506     13.22495555     -8.56902211
  H     12.51273552      8.80671977    -10.39034210
  H     13.46245558      7.88544335    -12.15799851
  O     13.02232945     11.84455655    -17.62299200
  H     11.45205601      9.78074248    -10.93209528
  H     13.71661672     12.91310602    -11.49146118
  O     11.53502803      9.53741901    -13.98102814
  H     13.06242757      8.95294376    -14.73934515
  H     13.92355747     13.83418379    -10.27631757
  O     13.24453362      8.49348210     -8.75799275
  H     13.79203056      8.67843547    -16.07071752
  H     17.26104789      9.21929330    -12.10592637
  O     14.01431373     11.19396478    -11.86333484
  H     13.83879682     12.53872161     -8.46321503
  H     17.19541666     10.65672885    -11.56057440
  O     12.62259476     11.27618691     -8.40749784
  H     14.59350614     13.67119685     -7.72964044
  H     12.36475832     12.52403821    -14.67394985
  O     10.94736457     13.19186107    -11.84256706
  H     13.46387493     12.29368437    -16.88882811
  H     10.93697077     12.29967297    -15.24045398
  O     14.04201313     12.90228035    -15.23656711
  H     12.08184198     12.03228787    -17.52002682
  H     15.81717614     12.06239387     -9.46521476
  O     16.72157547      7.48277995    -11.54800300
  H     11.58669903      9.31602148    -13.04601168
  H     15.40358153     11.25101498    -10.69526496
  O     14.21343644      7.47208655    -12.59198470
  H     11.51408707     10.50409916    -14.05256793
  H     16.21012789     10.53587492    -13.67355013
  O     13.61140068     13.82954806    -11.18796628
  H     13.07069576      7.80462173     -8.12264129
  H     15.04681717      9.95739321    -14.56765247
  O     17.36814793     10.14495727    -12.35995885
  H     14.21206389      8.54037706     -8.86740223
  H      9.42296251     12.22077240    -17.39556808
  O     11.46109688     12.27546817    -14.43017768
  H     13.39819966     10.47937857    -11.67642330
  H     10.24255268     11.00734176    -16.89081273
  O     16.12354436     11.36594946    -10.05559622
  H     14.45378621     11.00913136    -12.70475089
  H     16.05636592      9.66201124     -9.36064261
  O     15.43190610     10.76478326    -14.20302459
  H     12.87341271     10.34486627     -8.39907259
  H     16.24662043      8.22697216     -9.89693897
  O     10.22416257     11.97998584    -16.93916736
  H     11.83158898     11.32415261     -8.95729272
  H     15.16320941     15.70455051    -13.35848545
  O     15.87586644      8.73242561     -9.16292415
  H     11.78346657     13.59670269    -11.57842135
  H     14.22741151     14.69956734    -12.66711780
  O     14.52898870     15.01390108    -13.53365567
  H     11.04942977     12.94632482    -12.77256957
  H     11.40688846      9.09511660    -17.09839669
  O     10.57656351      9.29256612    -16.64662685
  H     14.25340725     13.70513087    -14.74054022
  H     10.76411602      9.20954241    -15.70224102
          69
 Energy    -249.43691055866486     
  O     13.74606026     13.37136851    -14.63432196
  H     14.54034273     13.66943388    -15.09325558
  H     14.72036307      8.84972969    -18.51481984
  O     19.20822565     10.34957874    -11.64313527
  H     13.39673788     12.65034460    -15.17194825
  H     16.19633798     11.40010315    -12.85205771
  O     18.02860525     13.62711214    -14.08276416
  H     19.45377173     10.73057982    -12.49430886
  H     16.44925349      9.85614171    -12.83968724
  O     15.50350018      6.23811282    -12.68278722
  H     18.67022228      9.56800543    -11.82846552
  H     14.18083077     11.15854206    -16.56241689
  O     15.70481287      9.58607374     -9.85379494
  H     17.40096403     13.76121811    -14.80209510
  H     13.35854488     10.51970526    -15.40842984
  O     14.03099290      7.41206772    -10.72492808
  H     17.50222470     13.50732450    -13.27969378
  H     16.63744444      8.75012628    -11.16201463
  O     13.71627664     13.49124866    -11.93439649
  H     15.69543172      5.33289397    -12.45046583
  H     16.72355042      7.65476806    -12.26429732
  O     13.36062957      8.45165977    -17.47617570
  H     14.92590506      6.59066963    -11.98198558
  H     11.10421200      8.91187143    -12.16875916
  O     16.87872349      7.90009485    -16.69578192
  H     14.92343242     10.12306823    -10.06659422
  H     12.53368906      9.20933088    -12.68446918
  O     14.67121091      7.22875693    -15.21057868
  H     16.39761473     10.21634347     -9.62607158
  H     16.81094284     12.58668656    -11.05045078
  O     17.72153506     10.29327501    -15.50022011
  H     13.25561188      7.89389936    -11.03915722
  H     15.54416508     13.20285877    -11.74942471
  O     15.53957974      9.14773859    -18.94977008
  H     14.56087594      8.05262315    -10.23448416
  H     19.22450397     12.37719598    -14.13582172
  O     16.05838459     10.58344441    -13.34580103
  H     13.21551792     14.26254254    -11.68181975
  H     20.68251571     11.91716171    -14.38525647
  O     13.28385126     11.04984858    -16.21713402
  H     13.68266321     13.44222508    -12.90664075
  H     18.27074178     11.90125753     -9.01899284
  O     17.13538566      8.46505821    -11.94483106
  H     13.11161927      9.30822062    -17.10631474
  H     18.33997884     11.17925383    -10.38722885
  O     12.00122556      9.06094901    -11.88280944
  H     13.65972761      7.90970893    -16.73469361
  H     15.82277855     10.73313937    -17.99343786
  O     16.46475229     12.94169143    -11.87871034
  H     17.31033881      8.64953051    -16.26324952
  H     16.60941540     11.01660094    -16.69337992
  O     19.81266619     11.59972371    -14.15856824
  H     16.56616400      8.23369538    -17.54472076
  H     12.84908121     10.45604175    -10.93328250
  O     17.73459948     11.59352767     -9.74473340
  H     15.48468535      7.40039674    -15.71185812
  H     13.48949023     11.86437112    -11.01172181
  O     15.93285819     11.37972225    -17.28554161
  H     14.93249533      6.77074999    -14.40274196
  H     16.12605784     14.58356716    -16.85360409
  O     13.49537253     11.03809400    -10.51491156
  H     17.09554252     10.39535441    -14.76668208
  H     16.04332385     13.05321180    -16.66628530
  O     16.09061385     13.89866370    -16.18961219
  H     18.55675352     10.65272919    -15.18197273
  H     13.96885383      8.65595117    -14.41859585
  O     13.66478773      9.46755034    -13.98681392
  H     15.47913741      8.88019573    -19.86255445
  H     14.45866999      9.94219002    -13.69790568
          69
 Energy    -249.43671522113630     
  O     -1.50563266     -1.84249464     -1.20719317
  H     -1.62544278     -1.58656937     -2.11754738
  H     -1.88973527     -6.39785215      1.75277185
  O     -1.41957324      0.05127699      5.36271771
  H     -2.39554664     -1.92448619     -0.81931168
  H      2.31928023     -5.53632524      4.29343936
  O      2.59117404     -1.86794854      1.34125251
  H     -0.85126711     -0.65396928      5.70160306
  H      2.15579352     -4.02729736      4.53914217
  O      0.93131920     -4.67119773      7.23250336
  H     -2.26619525     -0.06503180      5.80609477
  H     -0.84013056     -4.58231370      2.94785312
  O     -3.88563074     -0.80613091      6.65386266
  H      1.76077559     -1.43239527      1.07376890
  H     -1.77458385     -3.34669997      2.89234544
  O     -0.04241861     -2.26430537      6.10610702
  H      3.30349528     -1.31573537      1.03163446
  H     -3.94485799     -3.65684336      2.69263685
  O     -1.37949569     -5.74563661      5.93104213
  H      1.42484195     -4.94448924      8.00043792
  H     -3.67446702     -2.15556137      2.99550024
  O     -5.34294336      0.25673318      4.50209464
  H      1.51504885     -4.79949877      6.46163936
  H      2.42383113     -7.35129874      2.47204712
  O      0.23468148     -0.69788473      0.73295130
  H     -3.95141452     -0.72987467      7.60259589
  H      2.03142856     -5.90869029      2.07823153
  O     -0.82613217     -6.34774298      3.30070146
  H     -3.54480526     -1.69810474      6.47049607
  H     -4.46380171     -0.16136230      2.98890843
  O     -4.52709747     -4.62172093      1.24038729
  H      0.28581783     -2.98890657      6.65199141
  H     -3.03497473     -0.06953698      2.37401879
  O     -2.33698895     -6.16733099      0.92705376
  H      0.50078927     -2.26956293      5.30300063
  H      1.22560459     -4.58906769      0.41377473
  O      2.38854765     -4.85846986      4.97569862
  H     -0.60399513     -5.48598362      6.44392184
  H      2.36656649     -3.75550589      1.01675621
  O     -0.87551448     -3.64379209      2.70986792
  H     -1.99405683     -5.00629808      6.00586237
  H      0.57725691     -2.90409965      3.35965234
  O     -3.52087319     -3.05436237      3.31716570
  H     -6.25259957      0.39714896      4.75413353
  H      1.92057992     -2.20768665      3.04529952
  O      1.94414836     -6.58488302      2.77455854
  H     -4.89991450     -0.10388234      5.28468496
  H     -0.64572813     -3.90807234      0.92355455
  O     -3.89255413     -0.50586556      2.28753633
  H     -0.36692321     -1.03108174      0.05623790
  H     -0.82270496     -3.46119424     -0.54523021
  O      2.07688255     -4.66278154      0.86714245
  H     -0.30930810     -0.29898522      1.42215366
  H     -1.21302942      1.57165236      2.64501669
  O      1.37519664     -2.53178004      3.76993657
  H     -1.01699791     -6.25583687      4.24646484
  H     -1.33037459      0.41651639      3.66063243
  O     -0.53757668     -4.19980868      0.00411119
  H      0.11282556     -6.54441012      3.19336277
  H     -1.79340416     -2.88498382      5.91960011
  O     -1.35898665      0.63034572      2.71156131
  H     -3.77176555     -5.22174725      1.10415199
  H     -3.03528424     -3.19521497      5.02016759
  O     -2.71506584     -3.18209961      5.93563736
  H     -5.31627802     -5.14193954      1.11765439
  H     -4.17105112     -2.97035927      0.31876268
  O     -3.91293693     -2.10528324     -0.02055414
  H     -1.71308038     -5.61455976      0.43708115
  H     -4.01102899     -1.48243886      0.71279171
          69
 Energy    -249.43665985164887     
  O     13.82747786     10.16436441    -11.50304495
  H     12.96277344     10.14791143    -11.93011453
  H     19.22121073      4.58495229    -13.66957351
  O     15.02086737      5.88708084    -11.58133732
  H     14.49214378     10.23520781    -12.20300032
  H     13.31631363      8.54152021    -16.27936461
  O     18.00518988      9.24461110    -12.10559450
  H     15.94854853      6.08303403    -11.39174532
  H     14.58279582      7.97161541    -16.94163007
  O     15.92388667      6.68591983    -16.28513198
  H     14.48372299      6.45626891    -11.01390554
  H     14.00699995      7.67286843    -14.11342951
  O     11.65556110      5.46012951    -13.75015163
  H     18.10036743      9.72879339    -11.27656442
  H     14.93242201      6.92566328    -13.09237725
  O     15.32854377     10.73652467     -9.17546565
  H     17.25771163      9.63492767    -12.58032206
  H     10.49143018     10.15664122    -12.66512248
  O     13.54150337      7.71772457    -10.15385877
  H     16.63996695      7.28958428    -16.53796085
  H     11.14480165      8.81670207    -12.23923270
  O     15.76214077     10.08058285    -13.49642452
  H     15.60694419      6.98588791    -15.41890893
  H     17.58138948      7.21191663     -9.49723731
  O     17.78188882      8.62837486    -16.69954519
  H     10.99422241      4.82422929    -14.01116500
  H     17.77846974      8.62914373     -8.92417724
  O     14.93521704      8.23622665     -7.79987957
  H     12.50083929      4.97942694    -13.70933306
  H     11.91917403      7.26634043    -10.93823299
  O     16.42740756      4.24901007    -15.26009348
  H     14.75778808     10.67815027     -9.95293881
  H     11.31594726      6.53358796    -12.16816807
  O     18.48953032      5.19338765    -13.58603852
  H     15.09222538      9.99004566     -8.61114781
  H     18.87721109      8.46588441    -13.58420090
  O     14.01791796      8.75379276    -16.90851995
  H     13.92051511      7.82579515     -9.27265374
  H     18.94891354      7.03565289    -14.15119826
  O     14.92543834      7.52446978    -13.84815657
  H     13.69028318      8.54940648    -10.62643455
  H     18.02165819      6.05195476    -11.98813364
  O     11.30115149      9.65535157    -12.71187107
  H     15.52221779      9.14770729    -13.62368331
  H     17.76307921      7.52633973    -11.58759352
  O     17.44198098      7.75031095     -8.70764029
  H     15.81185048     10.46445597    -14.38008399
  H     18.48581657     11.14835141     -9.16529262
  O     11.15002040      7.23247378    -11.52448311
  H     18.33063946      8.47746117    -15.91424147
  H     17.05258075     10.62994446     -9.43805895
  O     19.12381487      7.95759052    -14.36766130
  H     17.27709006      9.43216862    -16.53776865
  H     14.40566384      4.65532394    -12.74944542
  O     17.66547913      6.61006076    -11.28640625
  H     14.85908816      8.01702803     -6.87552366
  H     14.80786950      4.15180616    -14.14695594
  O     17.99819080     10.43418000     -9.56633024
  H     15.83702499      7.99065791     -8.07590762
  H     15.72486194     11.47045833    -16.80796995
  O     14.06161854      4.21663456    -13.54264911
  H     16.48395407      3.56756440    -15.92541674
  H     15.11960563     10.08084632    -16.50640386
  O     15.78959083     10.72526625    -16.21659041
  H     16.24513568      5.08319242    -15.73001758
  H     11.94214364      8.63529719    -14.15235726
  O     12.33634362      7.99315496    -14.75610776
  H     17.77489235      4.84090910    -14.13707000
  H     11.99909074      7.12038039    -14.51184503
          69
 Energy    -249.43663617828980     
  O     12.78438326     11.53769748    -10.62768052
  H     11.86702716     11.56516967    -10.33024323
  H     16.10842078     13.16914378    -17.52622396
  O     10.85526896     12.11409866    -15.36113966
  H     12.95200058     12.36392694    -11.10349759
  H     14.27682689     14.11220331    -11.52692538
  O     12.93007190      9.36252787    -12.36334025
  H     11.03499503     12.85725942    -14.76703782
  H     13.93298094     13.28575696    -12.78088433
  O     10.03122923     11.57623511    -10.14642670
  H     10.06376372     11.67481733    -15.02651169
  H     13.54256451     15.63091442    -15.58346915
  O     10.06968619      9.48311971    -12.11584484
  H     12.87391553     10.12719122    -11.77061288
  H     12.55544848     16.73331616    -16.03401136
  O     12.94268654     10.39050255    -14.89471691
  H     12.90323543      9.69474862    -13.27491501
  H     14.09026737     11.73540565    -14.45497861
  O     16.00033344     14.06907697    -10.72881396
  H      9.46557927     11.72284298     -9.39341969
  H     15.55634873     12.25555865    -14.31532491
  O      8.73291070     10.89270322    -14.01850178
  H      9.73640411     12.18794314    -10.84532894
  H     17.31487455     12.70494711    -15.68142914
  O     15.15493332     14.95543644    -15.29716917
  H     10.02168764     10.06689997    -11.34814693
  H     17.51061175     13.01152014    -14.18109918
  O     14.78207443     12.19922432    -17.93845118
  H     11.00030446      9.24872103    -12.21372747
  H     12.40788326     14.28418537    -16.94113093
  O     11.36048733     14.32068659    -13.69309216
  H     13.39458461     10.04474448    -15.67441401
  H     11.74003012     12.90993092    -16.81663767
  O     16.83857258     13.72666127    -17.19558177
  H     12.19189843     10.93549346    -15.16828943
  H     14.70254424      9.05689891    -12.27049326
  O     13.53500526     13.79742375    -12.05619909
  H     15.95613802     13.09957156    -10.64251435
  H     15.92453906      8.23219544    -11.81331174
  O     12.60263705     15.82771912    -15.73848748
  H     16.33367436     14.40253071     -9.90002618
  H     16.28212769      9.43243231    -13.99040138
  O     14.63068239     12.47369579    -14.15029631
  H      9.19563631     10.31485419    -13.38545163
  H     16.99214404     10.49680693    -14.86230264
  O     17.37673066     12.28835296    -14.81175116
  H      7.92702388     10.44615505    -14.26284915
  H     15.38814167      9.53277807    -16.20280803
  O     12.36085357     13.41602018    -17.35623768
  H     14.86531274     14.10657088    -14.92854729
  H     14.80349052      8.75061810    -17.40577074
  O     15.67336449      9.05271185    -12.23228673
  H     15.76129613     14.72504514    -16.01328743
  H      9.89634852     13.64873025    -12.71703217
  O     16.52124866      9.65244381    -14.89857584
  H     14.72333496     11.28125192    -17.65336402
  H      8.94195842     12.44684366    -12.89004913
  O     14.68728325      9.53777669    -16.88095280
  H     13.91415707     12.60336028    -17.78989468
  H     16.84952412     14.44535162    -12.37650754
  O      9.25422414     13.09850427    -12.24996845
  H     11.67637631     14.93578269    -14.36665080
  H     16.55805406     14.93380027    -13.81425973
  O     17.24271651     14.55422654    -13.25150645
  H     12.08141987     14.21864330    -13.05513556
  H     15.79419986     10.65159438    -11.10356660
  O     15.60019410     11.38610335    -10.51129541
  H     17.37306477     13.96088571    -17.94842646
  H     14.64375815     11.35832303    -10.36974466
          69
 Energy    -249.43563382385366     
  O     14.73852687     12.55229614    -12.17845667
  H     15.46715611     11.92215681    -12.26704627
  H     13.65035983      6.87796041    -15.79839907
  O     18.55662718      9.05084539     -9.32043778
  H     14.59947046     12.66677237    -11.23039151
  H     11.90683075     10.44402240     -8.59252815
  O     16.92505878      6.83133117    -11.88729471
  H     17.73881311      9.56258129     -9.26379462
  H     11.72090897     11.00237348    -10.01794370
  O     14.34271928      4.22922621    -10.76871019
  H     18.76392192      8.99181894    -10.26074670
  H     15.28802198      9.56960623    -13.31601941
  O     18.21228400      6.60254224     -8.13891925
  H     16.62100001      6.59515809    -11.00404304
  H     13.91484555     10.00846052    -13.89424136
  O     16.49450352     10.36424941    -12.20057534
  H     16.40196593      6.29859637    -12.50089173
  H     18.12373664      8.00841928    -12.10023203
  O     14.37890789     12.57383908     -9.35128135
  H     14.53037354      3.33400243    -10.49934277
  H     19.49061690      8.43686086    -12.69325940
  O     10.28410527      7.44846730     -9.74508719
  H     14.90817264      4.80802878    -10.22773399
  H     16.67816138      6.10830439     -8.87475200
  O     16.00989773     10.27908731     -9.44783985
  H     18.39151284      7.47801146     -8.52292393
  H     15.27676362      6.75219374     -9.08239813
  O     13.28807000      8.36448512    -11.41651072
  H     18.86580852      6.47531432     -7.45736727
  H     10.59763928      9.82189166    -11.97364917
  O     12.11024399      5.86426090    -11.12921031
  H     17.34984529      9.93340357    -12.31993949
  H     11.72857625     10.79519978    -12.46261081
  O     13.42045726      6.96796280    -14.87607657
  H     16.28802163     10.28154278    -11.25781589
  H     11.70500483      6.76543042    -14.08573222
  O     12.05801957     11.22383424     -9.13865580
  H     13.52658367     12.11464292     -9.23878191
  H     11.25297447      6.17644136    -12.74198462
  O     14.50594214      9.25134545    -13.78932734
  H     14.36822567     13.32521262     -8.76477753
  H      9.89870797      7.84092548    -12.82322069
  O     18.75690221      8.74966552    -12.17283086
  H     10.85065374      6.75388144    -10.11069203
  H      8.49066639      8.45646933    -12.64241452
  O     15.84266579      6.01751926     -9.35621596
  H      9.84519505      7.84462501    -10.50500839
  H     11.12768142      8.27870876     -8.46171101
  O     11.34734562     10.36123239    -11.68868552
  H     15.53221736     11.10801214     -9.32196400
  H     11.24593020      8.57009020     -6.94848957
  O     10.92736342      6.63346884    -13.53067935
  H     15.42518003      9.57050043     -9.14571379
  H     14.78700158      4.83254177    -12.57334325
  O      9.38681140      8.50068584    -12.32080864
  H     13.82892211      8.54662363    -12.19240911
  H     14.48326858      5.71693721    -13.81245200
  O     11.66340824      8.73651274     -7.78933701
  H     12.58339077      9.02651945    -11.41792024
  H     13.48307091     11.98786571    -13.20031232
  O     15.18556860      5.25071327    -13.34615453
  H     12.56907168      6.70913996    -11.26102951
  H     12.60687314     12.14648048    -14.46849893
  O     12.82591762     11.54024109    -13.76639286
  H     12.79082398      5.20435096    -10.95519630
  H     13.94214454      8.28104810     -9.78926954
  O     14.22777808      8.22383582     -8.86294142
  H     13.85889323      7.77501523    -14.55946901
  H     13.43201604      8.35495948     -8.33545413
          69
 Energy    -249.43550705292063     
  O     -2.86700616      0.07415056     -0.18934685
  H     -3.66194677     -0.44726446     -0.35718400
  H      4.08899426     -2.37178417      3.35563491
  O     -2.59251165     -0.58419088      7.30502634
  H     -2.91848418      0.33909978      0.73788075
  H     -1.05585216     -2.41240293      0.82954269
  O      2.00170509     -0.38050936      2.02785024
  H     -2.60382801     -0.36929723      8.23363624
  H     -0.75427495     -1.87420572      2.26315560
  O     -3.15686817      0.24812609      2.63245948
  H     -3.16844451     -1.36218155      7.18698650
  H     -3.06826334     -4.89060111      1.89043820
  O      1.37648984     -3.55922184      5.14775686
  H      1.13027491     -0.23033253      2.42247000
  H     -2.28418400     -3.61767323      2.26059745
  O     -4.11965565     -2.73645400      6.68277539
  H      1.85410120     -0.62727141      1.10820296
  H      0.68275651     -3.49032767      1.54361140
  O     -0.81350772     -1.83272070      5.53528161
  H     -3.67676911     -0.55263455      2.48394286
  H      2.17693239     -3.53498659      1.96429057
  O     -0.00234283     -5.83469803      4.70971975
  H     -3.44329671      0.58350546      3.49465848
  H     -4.26592743     -2.81692618      2.37068293
  O     -5.87951569     -1.55302808      4.77073199
  H      0.74626382     -2.86128993      5.36997711
  H     -5.02900041     -1.94456658      1.34171775
  O     -0.06382799     -6.10954490      1.85118402
  H      2.02350234     -3.17174240      4.54674299
  H      2.41098324     -1.80018330     -1.17940979
  O     -2.45454440     -6.04971960      0.54923374
  H     -4.78017658     -2.42904193      6.04887297
  H      1.72619242     -2.54073627     -0.00889638
  O      3.15749319     -2.51711626      3.21464188
  H     -3.55926420     -3.36912557      6.21358741
  H     -1.40813946     -0.03745957      2.99352477
  O     -0.90790557     -2.67735858      1.74819024
  H     -1.34763600     -2.62034480      5.35814543
  H     -0.58035493     -0.79999901      4.06976359
  O     -3.07669646     -4.13331147      2.48619739
  H     -1.29070789     -1.32554592      6.20354311
  H     -1.60293983     -1.06920181     -0.72550715
  O      1.55432228     -3.83836913      1.29133941
  H      0.33320761     -6.52477516      5.27639368
  H     -0.15843500     -1.67030697     -0.93541856
  O     -4.82758087     -2.03281848      2.28179919
  H      0.55702676     -5.05108884      4.86340050
  H     -2.36081615     -3.19767736     -1.14858961
  O      1.70445330     -1.72875268     -0.54182656
  H     -6.83317871     -1.54248285      4.74539965
  H     -2.88629956     -4.54796731     -0.59580480
  O     -0.52499078     -0.37222700      3.20322914
  H     -5.57896826     -1.73292774      3.86434297
  H     -4.78882861      0.01466315      5.12325581
  O     -1.09772905     -1.88067483     -0.89656268
  H     -0.07464483     -6.06723652      2.81565293
  H     -3.53254641      0.39956021      5.91732070
  O     -3.14891270     -3.75556083     -1.07655837
  H      0.61850425     -5.48865027      1.56819456
  H     -2.66845380     -4.21530798      4.22369133
  O     -4.09195922      0.68028778      5.18359861
  H     -1.57750963     -6.10049799      0.96992013
  H     -1.57093357     -4.85074341      5.09582867
  O     -2.28713033     -4.20476364      5.11342363
  H     -2.68665434     -6.93968719      0.29782662
  H     -4.39215341     -2.58748931     -0.72484425
  O     -5.00375371     -1.86429709     -0.49499255
  H      2.79609418     -1.69174380      2.84385954
  H     -5.66950555     -1.84068653     -1.17687428
          69
 Energy    -249.43546650054788     
  O     18.06847967     10.96405715    -14.38681603
  H     18.21501718     10.73225675    -13.45960863
  H     17.97525689      7.39737841    -10.04966236
  O     15.10039509      6.83446186    -11.24520500
  H     17.38171718     11.64054087    -14.37680363
  H     12.74478494      7.92318174     -9.71021717
  O     11.94368465      9.36201492    -14.43933237
  H     14.16357187      6.93892955    -11.03926657
  H     11.98710661      8.12267458    -11.04040506
  O     13.36764415     10.87711564    -10.68808388
  H     15.17923722      6.46939319    -12.13770279
  H     15.98663268     12.59118174    -10.79954348
  O     19.29667004      7.62778112    -11.41527377
  H     12.04076526      8.55076767    -14.95649626
  H     14.52047822     12.29240814    -11.15725747
  O     12.62358030      7.06607081    -15.85443244
  H     12.78860518      9.82609577    -14.50919262
  H     14.79344480      9.97706492    -11.49507651
  O     15.40989199      6.00072735    -13.86139429
  H     13.35221806     10.42298705     -9.83597106
  H     15.35877090      8.54669428    -11.73657251
  O     14.54863864     10.35998106    -14.45404878
  H     12.59489682     10.55757922    -11.17170786
  H     18.06870995      9.49654801    -15.32996992
  O     15.99539442      9.61041639     -8.42965386
  H     20.17621121      7.26714027    -11.34708625
  H     18.70442515      8.72753970    -16.51088458
  O     12.93266674      4.71629814    -14.17876762
  H     18.90113735      7.25188097    -12.22288304
  H     11.61636479      4.39045221    -10.99262222
  O     13.37035815      9.15441588     -8.43654076
  H     12.66230906      6.26161447    -15.32474991
  H     11.97584729      5.86323222    -11.22033074
  O     17.19921505      7.37119895     -9.47905418
  H     13.54053318      7.32022405    -16.02187610
  H     18.18247889      7.35138779    -14.42315998
  O     12.44698467      7.46123064    -10.50475850
  H     14.63981799      5.43770721    -14.00592387
  H     17.27229194      6.32565436    -13.71286309
  O     15.28838730     12.81242277    -11.42793304
  H     15.34590217      6.72485736    -14.50161498
  H     10.27869734      9.78553048    -11.86576619
  O     15.43629889      9.47037803    -12.00769768
  H     14.87842684      9.99019044    -13.62030631
  H     11.43086815      9.46029077    -12.84640803
  O     18.07204373      8.64470753    -15.80213382
  H     14.91203641     11.25056832    -14.50360074
  H     17.73132183     11.26431527    -10.40369840
  O     11.82763865      5.02123930    -11.67728824
  H     16.48998305      8.83509210     -8.73803231
  H     18.08214231     12.29576300     -9.30605023
  O     18.14670063      6.73272874    -13.68286972
  H     16.43895956     10.38716428     -8.78384425
  H     15.00695907      8.88420383    -15.38839863
  O     11.19953191      9.54288549    -11.90227286
  H     12.50889419      4.81728010    -13.31032015
  H     16.25600687      8.17849305    -15.93828821
  O     17.35311770     11.83017806     -9.70836166
  H     12.65255089      3.87247997    -14.52490954
  H     15.68026340     12.84548713    -13.13905127
  O     15.31760483      8.04488156    -15.75875193
  H     13.03246542      9.27687355     -7.55373371
  H     15.77549367     13.69414934    -14.42655145
  O     15.88207741     12.80816254    -14.09104035
  H     14.33666151      9.28170755     -8.38423295
  H     17.16422929      9.88359014    -11.83496615
  O     18.09429470     10.13454641    -11.71114859
  H     16.47690068      7.05036008    -10.03743028
  H     18.59250414      9.31968741    -11.57165489
          69
 Energy    -249.43507282491083     
  O     17.25759374     10.57882761    -15.19698134
  H     16.67782567     11.32187891    -14.98916824
  H     11.53707117      9.29859290     -9.44634073
  O     14.78052649      6.60581594    -11.44010005
  H     17.63847056     10.31029805    -14.35007731
  H     15.06445503     12.27471036    -11.14201142
  O     11.56850284      8.97806204    -13.05619598
  H     13.85308293      6.70047933    -11.18593268
  H     16.59466994     12.39957404    -11.21786168
  O     13.89415721     11.09983331    -10.32628324
  H     14.77867585      6.12143522    -12.27468439
  H     15.13556223      8.35142449    -11.75378340
  O     18.80511078      7.03864826    -12.51008016
  H     12.30591901      9.45982958    -13.45866476
  H     14.87381769      9.83411611    -11.30144440
  O     13.69269577      6.55043537    -16.23019252
  H     11.31516986      8.28705563    -13.68498036
  H     11.81712311      5.47158238    -12.08251807
  O     13.80945126     10.20919833    -14.06283734
  H     14.00394455     10.76842436     -9.42511367
  H     11.27216943      4.05651589    -12.38278780
  O     16.71900702      9.46058190     -8.82348377
  H     12.95740040     11.02084059    -10.54354579
  H     16.13270537      5.84289622    -14.13450258
  O     14.37502939      5.15467844    -13.85769323
  H     19.59166542      6.54820505    -12.73189134
  H     16.42057883      7.23204986    -14.72929510
  O     14.24208761      9.80412570     -7.87612501
  H     18.12395527      6.78614341    -13.15988002
  H     10.39634945     11.13619467    -10.95068966
  O     17.22576569      7.05500349    -10.10031962
  H     13.77509889      6.23449020    -17.12686429
  H     11.20555989     10.03685879    -11.67417721
  O     11.88384289      8.55854773     -8.93223706
  H     14.32520612      7.28223438    -16.13521133
  H     11.95123277      7.38559559    -10.26639937
  O     15.77876849     12.70659734    -11.63035620
  H     14.34325185      9.85530780    -13.33123763
  H     11.91644882      7.64914590    -11.79745801
  O     15.27186628      9.27941741    -11.98467255
  H     14.17496689     11.08156022    -14.25305900
  H     11.31426378      6.03671510    -14.16125685
  O     11.78950099      4.76707323    -12.75283343
  H     16.94870523      8.61112118     -9.22917578
  H     12.00846962      6.77303163    -15.32150959
  O     16.83572434      6.48740471    -14.27614436
  H     17.19291795     10.14206326     -9.31041486
  H     18.14298730     10.83099294    -11.25635940
  O     11.16832795     10.58184894    -10.86998814
  H     13.54384251      4.84722098    -13.47441752
  H     18.94689813     11.75774881    -10.31525997
  O     12.04685700      6.96051676    -11.13097703
  H     14.13304342      5.57904439    -14.69228616
  H     14.74595493      9.07121482    -15.15521781
  O     11.25394776      6.81992647    -14.72143030
  H     15.15646563      9.62271407     -8.16380059
  H     16.17044788      9.19915580    -15.68228147
  O     18.06988825     11.42529941    -10.48952529
  H     14.29406373     10.07423167     -6.96333289
  H     15.22990757     13.44139789    -14.65056013
  O     15.42563951      8.58233800    -15.63989891
  H     16.37848083      6.75631475    -10.45641655
  H     15.52260918     12.65217203    -13.35450672
  O     15.33569512     12.55879236    -14.30601180
  H     17.84732474      6.99489923    -10.83468103
  H     16.99664739      9.54316456    -12.39525717
  O     17.93615563      9.69107667    -12.59027445
  H     12.68864479      8.88275705     -8.50899341
  H     18.36399292      8.82638152    -12.56050865
          69
 Energy    -249.43492949661459     
  O     11.69672011      9.05801657    -15.98335678
  H     11.40306996      9.71648875    -15.33882547
  H     19.43042351      8.93646982    -15.66175342
  O     15.70768498      8.27141308    -11.31868788
  H     12.51040569      8.67169477    -15.63609459
  H     17.05500722     11.15647183    -10.48372534
  O     16.10306651     12.42069517    -14.54970329
  H     16.07975795      8.12386845    -12.20383259
  H     17.03487775      9.65593310    -10.82874412
  O     12.36475430     10.24070837    -18.32872638
  H     15.70564411      7.42197698    -10.88330091
  H     17.06594269     11.75518454    -17.53488841
  O     13.94419654     10.89019742    -13.79922023
  H     15.30032260     11.93298512    -14.30942902
  H     15.73921941     10.98791865    -17.40248991
  O     12.68763313     14.02443691    -12.61196254
  H     16.18599062     12.33822346    -15.50790438
  H     11.09137355     11.30767221    -13.25616314
  O     11.76539035     13.68675981    -15.30786651
  H     11.73932090     10.04532911    -19.02081273
  H     11.22274678     12.07172944    -14.61029558
  O     17.57933559      8.49362942    -18.13366418
  H     12.04304754      9.79839348    -17.52224747
  H     15.67269578     12.99995623    -10.82689649
  O     13.97115903     10.49189125    -11.02357613
  H     13.01902326     11.06464579    -14.01046015
  H     15.79430026     12.98475512     -9.28259771
  O     18.49640680      7.21620682    -15.92150388
  H     14.00466303     10.79321124    -12.84055976
  H     14.34866858     12.56606866    -17.26984207
  O     16.83724283      8.09533374    -13.84352236
  H     12.22441043     13.30817237    -12.16476715
  H     13.01420927     11.88818666    -17.64850498
  O     19.64586264      9.87405801    -15.60579189
  H     12.41234164     13.98433427    -13.53641064
  H     17.35351965     11.30630282    -13.86701553
  O     17.60194973     10.43554119    -10.82132125
  H     12.39634778     13.36563837    -15.97699628
  H     17.95494800     10.64419478    -12.57990856
  O     16.14204505     11.85918868    -17.27593346
  H     11.27927180     14.39985554    -15.71357680
  H     14.48727310     14.03405977    -12.37899251
  O     11.17716738     11.19116287    -14.21106191
  H     18.02615493      9.34571623    -18.20497799
  H     15.78107263     13.54879434    -13.07938158
  O     15.72370896     12.41781266    -10.04502872
  H     16.63408036      8.69691898    -18.10655239
  H     14.11223178      9.58689741    -18.09243512
  O     13.39122554     12.65526934    -17.19931116
  H     14.47482537      9.66948438    -11.07338298
  H     14.77810900      9.00952047    -16.81782725
  O     17.94467425     10.61190516    -13.54641082
  H     14.54769721     11.15875494    -10.62263459
  H     12.29592161     11.16679879    -11.20193929
  O     15.43629843     13.89200728    -12.24593365
  H     18.96188899      6.42440818    -16.17700582
  H     10.91559168     11.59321062    -10.65615094
  O     14.96285791      9.34953077    -17.70576309
  H     18.14500316      7.60949266    -16.74085740
  H     19.52692592     11.49471001    -18.33472762
  O     11.47173316     11.62666580    -11.43072204
  H     17.19379034      8.99492726    -13.77270523
  H     19.15247419     10.72394714    -17.04759837
  O     18.79361711     11.09776043    -17.87269755
  H     17.39287042      7.64302442    -14.49040772
  H     14.22844763      9.38500053    -14.68042089
  O     14.38714453      8.53786208    -15.12498138
  H     19.17120307     10.20427569    -14.82903859
  H     15.20634645      8.20750382    -14.73776577
          69
 Energy    -249.43467353510005     
  O     12.07398405      9.25724170    -10.75797955
  H     11.71576039     10.07437165    -11.12313578
  H     14.46050054     13.51040208    -14.93445877
  O     15.13168725     10.59586892    -12.97005111
  H     12.90278999      9.47397011    -10.30553106
  H     17.49482725     11.55196943    -15.50828203
  O     17.21717733     14.20880837    -13.67018124
  H     14.50618466     11.20240442    -12.55700103
  H     16.41250473     12.47291853    -16.14963358
  O     11.24123791     11.41645453    -12.43433005
  H     16.00715843     10.93649266    -12.75141750
  H     14.66792702     12.68670740    -10.50319825
  O     11.80569831     14.72240809    -14.95291414
  H     17.30862147     13.59809951    -14.42780472
  H     15.20433508     13.21234906     -9.14873993
  O     14.49903364     12.51898987    -16.47031569
  H     17.85560026     14.90462424    -13.79860694
  H     18.12164424      9.70710678    -14.07992240
  O     16.57309459      8.00076917    -10.61331894
  H     10.63506034     12.07783811    -12.79093931
  H     17.31400549      9.09140794    -15.23677528
  O     13.60009483     12.69282605    -11.88705271
  H     11.42748104     10.79844155    -13.15594925
  H     17.31848399     12.85617639    -12.39708533
  O     14.32406737      9.95303696    -15.51371695
  H     11.85555460     14.36590003    -15.84903313
  H     16.74086706     12.28994522    -11.06622254
  O     14.54082851      9.80693903     -9.61185633
  H     12.70271897     14.66858754    -14.59959850
  H     11.81479374      8.77275180    -13.98671864
  O     10.34508753     11.53142616    -15.98789690
  H     13.68333527     12.78072342    -16.91411896
  H     12.63145263      9.69870851    -14.92178491
  O     14.43230854     14.05906339    -14.13645101
  H     14.40471170     11.58058099    -16.24992075
  H     15.66346268      7.59717057    -14.50198160
  O     17.26268417     12.47424679    -15.69596819
  H     16.01715083      7.78510610    -11.38012275
  H     16.16206059      6.78585161    -15.72091810
  O     15.35804319     12.56033304     -9.82741116
  H     16.79117867      7.17327733    -10.19045686
  H     11.57084096     13.38976105    -18.26118220
  O     17.83640979      9.86080205    -14.99261590
  H     13.83787039     13.21934530    -12.66365792
  H     11.36162103     12.56883493    -16.96593811
  O     17.29049520     12.07510039    -11.83029600
  H     12.72069682     12.31822058    -12.03008054
  H     12.11045731      8.04166828    -11.93737375
  O     11.76680390      9.58704556    -14.50118028
  H     14.82873011      9.16149478    -15.73239034
  H     11.61866226      6.68527748    -12.50554911
  O     15.95971479      7.66921425    -15.42435798
  H     14.67947030     10.26791441    -14.66630752
  H     17.87789062      9.01858319    -11.65386076
  O     11.93771077     13.22564668    -17.39668437
  H     14.88532775     10.70663657     -9.58488393
  H     18.18080619     10.48062689    -12.02239299
  O     12.18488399      7.42811719    -12.69417701
  H     15.28236507      9.24145188     -9.85626068
  H      9.02011925     13.90934596    -13.65657676
  O     18.37406215      9.56527135    -12.27212293
  H     10.74009046     10.76208526    -15.55766230
  H     10.48021207     13.89908030    -14.17144107
  O      9.76402387     13.33733771    -13.82345127
  H      9.99210329     12.08192073    -15.27789664
  H     14.01732614      7.59554828    -12.79361761
  O     14.95127207      7.83660556    -12.83834653
  H     15.34961465     14.26946719    -13.92383103
  H     14.99511438      8.80677596    -12.81857524
          69
 Ord_Energy   -249.433594    
 O   -2.88964510       1.67137790      -1.82840896    
 H   -3.47021914      0.967962027      -2.15564847    
 H   -1.97954965       1.37290335      -1.94303226    
 O   -1.90721393      -1.47401035      -3.31276131    
 H   -2.78417945      -1.20377302      -3.01096988    
 H   -1.30614901     -0.755380154      -3.08267307    
 O   -1.19005156      0.524706125      -6.66870070    
 H   -1.44142008     -0.391700327      -6.50083351    
 H   -2.01820540       1.00985229      -6.75662947    
 O  -0.302287430      0.827751577      -2.64070082    
 H  -0.155021891       1.38252699      -3.42461658    
 H   0.528219104      0.793104291      -2.17185712    
 O   -2.73284245       3.86376333      -8.37887859    
 H   -2.63869095       3.82762456      -9.32694626    
 H   -3.20472813       4.69033194      -8.16949940    
 O   -7.07605839       5.78524256      -3.03301883    
 H   -6.35224819       6.09579945      -2.47572613    
 H   -7.12671995       4.83347845      -2.87607431    
 O  -0.562344313       4.53524733      -6.54942322    
 H  -0.841980278       5.42846918      -6.31662035    
 H   -1.17360020       4.25136995      -7.23908615    
 O   -4.65142918       3.69549441      -1.04834926    
 H   -5.37007904       3.41311049      -1.63288605    
 H   -3.97062564       3.01675248      -1.12483084    
 O   -6.64114141       2.94300580      -2.84792161    
 H   -6.42932463       2.95024443      -3.79150987    
 H   -6.94539118       2.05075884      -2.64623284    
 O   -5.71914244       5.76715994      -5.44078732    
 H   -6.36489964       5.90578032      -4.73321772    
 H   -4.86169291       5.79913044      -4.99330902    
 O   -1.80240333       7.04126263      -5.89853954    
 H   -2.30601931       6.70107985      -5.13791418    
 H   -1.48035431       7.90483093      -5.65411139    
 O   -4.55816412     -0.437971264      -5.75485420    
 H   -3.85344768      -1.07334530      -5.93161201    
 H   -4.25248671      0.418651551      -6.08420372    
 O   -6.19189739       3.02435160      -5.63606262    
 H   -5.37079048       2.69124150      -6.01580811    
 H   -6.12711525       3.98862410      -5.67425823    
 O   -7.26252079      0.178754181      -2.63429189    
 H   -7.35892582      0.188683733      -3.60441971    
 H   -8.02150822     -0.279507458      -2.28420138    
 O   -2.23000097      -2.01973987      -5.94353819    
 H   -2.01061893      -2.92094469      -6.16257572    
 H   -2.05374384      -1.90646422      -4.99181080    
 O  -0.144400775       2.35687804      -4.93339205    
 H   -9.17971134E-02   3.16642594      -5.46288776    
 H  -0.382951409       1.64541996      -5.54955339    
 O   -3.92847037       6.14561033      -7.59322691    
 H   -4.68800497       6.10227108      -6.99770498    
 H   -3.22646332       6.59768105      -7.10758686    
 O   -4.48284912     -0.300684541      -2.94413877    
 H   -5.40268850     -0.220731720      -2.66551042    
 H   -4.50235128     -0.323194236      -3.91151071    
 O   -2.69478559       3.18898463      -4.14566422    
 H   -2.86968517       2.71789956      -3.32087946    
 H   -1.77879143       3.00012183      -4.39316750    
 O   -7.23182678      0.380833477      -5.33980274    
 H   -7.09698868       1.31433475      -5.54903936    
 H   -6.41401291      -6.22698516E-02  -5.60342360    
 O   -3.63943481       2.09662390      -6.48337173    
 H   -3.37768841       2.68339658      -7.20690680    
 H   -3.33953023       2.49589348      -5.65115690    
 O   -4.61852646       6.32180595      -1.55046153    
 H   -4.54308653       6.84543753     -0.757935941    
 H   -4.59553337       5.38580751      -1.27494776    
 O   -3.31171727       5.87500954      -3.96936250    
 H   -3.08923459       4.93262243      -3.97525978    
 H   -3.69903207       6.09040070      -3.11128950    
          69
 Energy    -249.43351186750908     
  O     -8.31652857     -1.36768239      2.05228821
  H     -8.34845091     -2.11563879      1.46069323
  H     -9.75613121     -0.59875170      2.99083997
  O     -6.81824248      6.27289049      6.09733434
  H     -7.85196815     -0.65503258      1.57768335
  H     -4.64353000      1.82137154      3.71484966
  O     -6.20928746     -1.16350971      3.99622616
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  H     -9.07539080     -0.08975251      6.42281550
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  H     -5.72087095     -0.41162677      3.64682434
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  O     -7.58483374      1.99780561      4.68986924
  H     -6.91757661     -1.33682374      3.36315336
  H    -13.28129543      2.48165127      4.40180083
  O     -5.46351584      1.61534480      7.21700853
  H    -10.44808359      3.88717470      5.30950496
  H    -14.25730979      3.66693019      4.21158995
  O    -10.07258927      2.95983024      6.84914282
  H    -11.69754270      4.16394899      4.44611618
  H    -12.17948857      0.39558054      3.89330147
  O    -12.77616794      2.89604834      7.35827129
  H    -12.77920735     -0.69794668      7.60809626
  H    -12.98518240      0.42074323      5.20667194
  O     -3.67082343      2.57587233      5.11135196
  H    -11.63662897      0.02325850      6.85683197
  H     -7.33375860      1.47273457      0.60906929
  O     -4.78778211      4.98995910      4.55455715
  H     -7.46089920      2.69497011      5.34777786
  H     -6.24201411      0.95733519      1.56886686
  O    -10.37297578     -0.01037696      3.44237697
  H     -7.57286919      1.16648157      5.18243606
  H     -8.84615516      3.47872153     -0.20075500
  O     -5.38357780      1.58412082      3.14130927
  H     -4.79782989      1.87705540      6.57131346
  H     -8.79288332      2.92914843      1.24784277
  O     -9.98128624      0.18392628      6.22050022
  H     -6.06957735      2.36691644      7.28433286
  H     -8.76734432      2.33563811      3.41893336
  O    -13.40534761      3.43304412      4.57001154
  H    -10.97392423      3.05397041      7.18937167
  H    -10.05590922      3.17359303      3.27826147
  O    -12.97469660      0.75929581      4.30210836
  H     -9.96738078      2.02601377      6.62286200
  H     -6.87215052     -0.74266599      5.62863044
  O     -6.90974554      0.66914164      0.93310885
  H    -13.11120399      3.17287969      6.49676089
  H     -6.61133888      0.28655152      6.77704140
  O     -8.25435236      3.13398149      0.46244022
  H    -12.84613678      1.93243515      7.36747702
  H     -7.22084120      4.58975019      6.76593961
  O     -9.49715791      2.53786886      2.81152815
  H     -2.73172633      2.66005533      5.25493066
  H     -8.33828986      3.53060429      7.06102671
  O     -7.29270916     -0.25730342      6.35323647
  H     -4.01529564      3.47673647      4.97391624
  H     -6.94671937      3.99283209      1.54957328
  O     -7.38816667      3.65292308      6.92294129
  H     -5.35532341      5.48892868      5.15422729
  H     -5.97584318      3.35122721      2.54596694
  O     -6.40490170      4.18705519      2.32439080
  H     -5.27267060      4.93015028      3.72233499
  H     -9.18427959      5.29061825      4.04863946
  O     -8.31444144      5.69455424      3.94013651
  H    -10.15258823      0.88271097      3.14001563
  H     -7.79474303      5.12904902      3.35671907
          69
 Energy    -249.43330516588284     
  O     14.94216139     11.90911369    -11.78333701
  H     15.81100379     11.64860469    -11.45643193
  H     17.42760256      6.73441347    -16.01706531
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  O     17.25871229      6.00932697    -11.65262385
  H     14.38332997      7.44328901    -14.31599747
  H     18.82270516      9.01580097    -13.31944096
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  H     15.29457507      9.66008167    -13.88737851
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  H     15.75192491      8.61400805    -12.83177014
  O     13.63514206      5.83035526     -9.06397771
  H     16.86912239      6.85428136    -11.38187610
  H     12.13326518     11.52838888    -10.43015778
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  H     13.46216101     11.27772129    -11.18448664
  O     16.09320554      8.39100018    -11.04527120
  H     20.03499915      6.82199907    -13.06027064
  H     14.91854596      3.67290154    -13.02983346
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  H     12.12284008     11.03350944    -16.22920694
  H     14.37010606      2.25082277    -12.78697794
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  H     11.73387774      8.76842909    -13.17586600
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  H     13.34299525      5.91515838     -8.15937101
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  H     13.55265557      6.71025104     -9.46526969
  H     16.33797361      5.27297144    -13.08818202
  O     18.64124550      9.96070055    -13.24033150
  H     11.94500596      6.16397403    -12.17541437
  H     16.55936370      5.08466801    -14.59674553
  O     15.47676330      8.72283528    -13.74867845
  H     12.65150332      6.83662107    -13.37566445
  H     15.09450094      4.77540873     -9.71527428
  O     12.63165272     10.85989478    -10.89206751
  H     16.49870153      9.24430470    -10.84995389
  H     15.29962284      3.73860268    -10.83558050
  O     14.38036251      3.13411496    -12.42634174
  H     15.16763822      8.39881018    -10.76611409
  H     17.30975761      9.97172807    -16.12411321
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  H     15.70855956      8.32042323    -16.75008543
  H     18.13268855     11.22312182    -16.51520088
  O     15.95148024      4.86586648    -13.87611973
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  H     12.96244423      7.78501747    -11.24097479
  O     15.76980862      4.25731880    -10.17105672
  H     12.61196146      4.90315155    -10.43839279
  H     13.08668156      9.12578396    -10.47431407
  O     17.61467274     10.84169051    -15.81123935
  H     12.87017286      4.06471973    -11.70210348
  H     18.10282420     11.21612220    -10.39789527
  O     13.38499295      8.20761365    -10.47715758
  H     13.76465144      7.52312901    -16.32367585
  H     17.90950721     10.56759223    -11.79000302
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  H     14.38877933     11.21873248    -15.06189982
  O     15.15222018     11.42020187    -14.50320514
  H     18.38464191      6.34149466    -14.88687518
  H     15.95328836     11.36877375    -15.03883803
          69
 Energy    -249.43316087265009     
  O      5.66724421     -4.80032561     -0.61336172
  H      6.53500267     -4.37755551     -0.56061654
  H      8.36567418     -3.23857370     -1.57731677
  O     10.44454749     -4.14755497     -4.18729032
  H      5.83734653     -5.74533049     -0.71035476
  H      5.86889726     -8.32363897     -1.13723399
  O     10.74283185     -3.17791382      0.46257477
  H     11.31931262     -4.33505275     -3.82511757
  H      5.98313732     -7.27799455     -2.27156508
  O      5.37825772     -6.66214800     -3.79294314
  H      9.97768265     -4.99294218     -4.18601721
  H     10.14936300     -1.53527925     -2.05669614
  O     10.46948194     -3.01360544     -6.70929809
  H     10.92031249     -2.51194824     -0.22658924
  H     11.64247920     -1.20893703     -2.23740722
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  H     10.98853932     -2.78671277      1.29635467
  H     13.60399226     -3.86737450     -4.16958516
  O      7.38213834     -5.74498632     -5.57689904
  H      4.90205203     -5.84842401     -3.58296320
  H     13.42994957     -2.34636836     -4.42996351
  O      8.89442290     -6.47232558     -1.34250308
  H      5.98251693     -6.43640965     -4.51150182
  H      8.73419302     -4.90103034     -8.70435862
  O      6.60668164     -3.27771068     -4.37050691
  H     10.46163399     -3.40387251     -5.81979823
  H      9.43647806     -4.25702391     -7.48788809
  O     12.60097971     -0.76061946     -3.82626376
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  H     10.72776454     -6.06549517     -0.90410735
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  H     11.37376904     -4.80657808     -0.29737605
  O      8.29554120     -3.79322416     -0.79028523
  H      9.26744308     -6.71885354     -3.07009773
  H     10.72146584     -5.99328016     -7.39053665
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  H     12.16248232     -5.46074515     -7.23684168
  O     10.97854216     -1.42557418     -1.57313074
  H      8.05409852     -6.18440218     -5.03295955
  H     12.67997666     -6.03523619     -3.68780351
  O     13.77523913     -3.16311342     -4.81038109
  H      8.68406848     -5.54100100     -1.18123229
  H     12.48456223     -5.35426493     -2.30344809
  O      9.02232288     -5.07494737     -7.81120798
  H      8.05869446     -6.95161795     -1.27167833
  H      9.53854942     -1.01925276     -4.50220211
  O     11.57015608     -5.60605294     -0.80128817
  H      5.78598644     -3.47984062     -3.90528073
  H     10.22647660     -1.35728850     -5.83408183
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  H      6.86280451     -4.08985018     -4.82652324
  H      9.42327749     -2.90109091     -3.45885820
  O     12.82797678     -5.21576182     -3.19963388
  H     13.03360480      0.08889127     -3.86897461
  H      7.93083937     -2.49248484     -3.56899488
  O     10.20005472     -0.69921813     -5.12645879
  H     11.77299645     -0.67673725     -4.33125673
  H      4.76663169     -4.32067440     -2.03491668
  O      8.76944971     -2.25724819     -3.14012429
  H     11.90679572     -7.08076206     -5.62571999
  H      3.48374262     -3.79235333     -2.72052172
  O      4.34631916     -4.15659515     -2.89810636
  H     12.45043243     -8.32203752     -4.87418872
  H     13.39047663     -3.57951979     -6.42961598
  O     13.08150027     -3.80486007     -7.32683510
  H      9.04828471     -3.57244859     -0.22689219
  H     13.78838258     -3.58191392     -7.92566578
          69
 Energy    -249.43227631843476     
  O     12.73322837     12.68912783    -12.96384747
  H     13.51726895     12.52390099    -13.51631504
  H     17.73121760     10.51464888    -17.00316020
  O     19.21861730      9.21312043    -12.07401843
  H     12.65677239     13.63519957    -12.87160689
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  O     15.84685031     10.22190757    -11.41962123
  H     19.15850877      9.17023435    -13.04012510
  H     12.48690613     11.24533326    -16.20198172
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  H     12.92612325      8.82751841    -10.28109528
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  H     13.96513878      7.71386388    -10.04155130
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  H     18.52744980     12.58573384    -11.24753545
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  H     19.03776817      6.31050012    -10.87576255
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  O     18.71868317      9.10003645    -14.78048846
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  H     17.12614895      8.28506723    -17.17316258
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  H     18.40227225      6.13679291    -16.66518712
  H     15.85652483      9.03310173    -17.62674561
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  H     12.34767758      9.32449058    -12.64299170
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  H     16.62993623      7.18587856    -10.80613341
  H     11.74837865      7.91964228    -12.90043335
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  H     15.81471760      8.49218073    -10.88594332
  H     12.20789500      6.84466199    -11.10401572
  O     11.95049386      8.76209103    -13.32425241
  H     17.63485833      6.11309711    -13.01696547
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  H     13.98639826      8.30334469    -16.61677464
  O     14.02539877      8.68683120    -17.50914842
  H     18.81412307     11.56159449    -17.34669648
  H     13.46123130      8.15261746    -18.06292619
          69
 Energy    -249.43171607651584     
  O     -6.93258242     -1.99816662      6.33140038
  H     -6.05314344     -1.60994108      6.38459046
  H     -4.32378693      0.93739103      1.13641144
  O     -9.85730655     -1.91424456      2.88439043
  H     -7.55334931     -1.33097934      6.65888338
  H     -6.47111627      0.66315049      4.18878959
  O     -7.78745903     -3.42350240      4.21621721
  H     -9.98928134     -1.12437948      3.42402949
  H     -6.57426854     -0.58237886      3.24466572
  O     -5.62086908      0.61841267     -0.11362804
  H     -9.21621638     -2.45711353      3.35877222
  H     -4.05293528     -0.77274831      5.40979002
  O     -5.66192203      1.64585730      5.57806615
  H     -7.49823612     -2.93515773      5.00926127
  H     -3.64069644     -0.94552170      6.89270962
  O     -6.20832082      5.24448540      0.21603410
  H     -7.96334500     -4.31796670      4.49536547
  H     -1.47989738      3.63089486      0.25034970
  O     -8.74824672     -0.00188239      6.99838496
  H     -5.79335895     -0.31859319     -0.25768557
  H     -2.78209056      4.06426827      0.96653733
  O     -3.69008063     -0.86773510      3.72712596
  H     -6.42469640      0.97852845      0.29170972
  H     -9.99858176      3.97533818      4.27534894
  O     -4.85851580      3.19730409     -0.96571076
  H     -6.37678790      1.96343497      6.14192561
  H     -8.60324293      3.65760030      3.70313121
  O     -9.60413501      0.49139671      4.36388993
  H     -5.21758627      0.90499794      6.01018410
  H     -6.07048013     -2.22747508      1.67300638
  O     -6.52496902     -2.07097192     -0.12424626
  H     -5.78156873      4.50518189     -0.25388866
  H     -6.51426437     -2.72775033      3.08841739
  O     -3.67049095      1.21723500      1.79373679
  H     -6.45725153      5.88110996     -0.44864907
  H     -8.77436512     -0.07721808      0.60433443
  O     -7.00256994      0.24306775      3.50303639
  H     -9.20710664      0.05078685      6.14822982
  H     -9.32549013     -1.37399700      1.24539098
  O     -4.36481004     -0.68579675      6.33006161
  H     -8.48348424      0.90574189      7.17815135
  H     -7.98335497      3.51865315      7.41216693
  O     -2.36713491      3.34801644      0.45337298
  H     -3.55393808     -0.14431526      3.10302204
  H     -8.39778832      3.02556296      6.00912757
  O     -9.23422013      3.41717062      4.40171021
  H     -4.34325746     -1.45092356      3.31509670
  H     -4.15486032      4.57156803      2.55806013
  O     -5.87861107     -2.17197472      2.61737263
  H     -5.13537900      2.27962321     -0.84612047
  H     -4.59439057      5.39111487      1.33536739
  O     -8.92368489     -1.01565223      0.43947707
  H     -3.94995677      3.23836681     -0.64267012
  H     -4.53541694      2.43459804      2.84248322
  O     -7.92268858      2.77508407      6.81686803
  H     -9.69184151      1.44603360      4.29127460
  H     -5.10248106      2.69999328      4.25817389
  O     -3.82358054      5.16711321      1.87009610
  H     -8.69366156      0.30175836      4.08280060
  H     -7.56995133      1.02353567      2.02771115
  O     -4.94484658      3.11232549      3.39853407
  H     -7.43364111     -1.74527981      0.02222085
  H     -7.82339707      2.43445599      1.48208385
  O     -7.85605714      1.50498767      1.23412870
  H     -6.57367997     -2.73056695     -0.81014408
  H     -6.54957170      3.67120895      2.81536143
  O     -7.37912451      4.00752919      2.44120132
  H     -3.07697619      1.83401594      1.34761575
  H     -7.12282846      4.54827840      1.68364268
          69
 Energy    -249.43116072810605     
  O     -3.11769045      4.02205020      5.16678116
  H     -2.98553872      4.05676956      4.20343062
  H     -2.60541433      3.85961458     -0.94465228
  O      0.57428532      2.78915555     -0.53546261
  H     -2.93050846      4.89491722      5.50210974
  H     -4.92698720      1.45203688      5.17381569
  O     -1.02543472     -0.30289686      2.19150785
  H      1.23412472      3.22742852     -1.06602489
  H     -4.68863411      2.97011893      5.26499806
  O     -4.83228746      0.48232765     -0.06110897
  H     -0.29448984      3.07823157     -0.87090879
  H     -4.28847071      5.56255089     -0.20430985
  O     -3.03335197     -1.93971331     -2.75577397
  H     -0.40907370      0.06928913      2.83267330
  H     -4.69336869      4.14328770      0.26174174
  O     -0.29831016      0.11140860     -0.42500128
  H     -1.81150950      0.26567590      2.20196266
  H     -6.49035613      2.31149281      3.85773435
  O     -4.80778388     -2.29354652      3.45745083
  H     -4.89713878     -0.48022396     -0.16527710
  H     -7.95866756      2.47271120      3.40088896
  O     -6.38653947     -0.40054232      2.26372089
  H     -4.11322389      0.73267216     -0.65784404
  H     -1.74062992      3.77661714      2.34246512
  O     -1.62746405      1.60245693      5.56217576
  H     -2.31560979     -2.23458445     -2.16553820
  H     -3.06353140      4.31704343      1.68119156
  O     -2.67414629      0.70443793     -1.77633159
  H     -2.95583123     -2.44688369     -3.55898718
  H     -5.68555510      2.11834510      0.25455901
  O     -2.65444405     -2.50151388      1.58580680
  H     -0.49161097     -0.02254227      0.51518233
  H     -6.33721743      2.81200870      1.46906325
  O     -1.91175478      3.38593861     -1.41755778
  H      0.14969090      0.96244322     -0.49694162
  H      0.24553997      3.11540423      1.29390477
  O     -5.38239847      2.30509873      5.18115202
  H     -5.41458530     -1.66204193      3.03136455
  H      0.23230063      2.60601552      2.76187379
  O     -3.93328980      4.73094155      0.09827331
  H     -5.34016958     -3.03422659      3.73656220
  H     -0.21444412      1.33949552      4.61235430
  O     -7.08841428      2.23211812      3.09355326
  H     -6.04849943     -0.18599746      1.38867827
  H      1.29418881      1.00287423      4.52474546
  O     -2.69233429      3.92061828      2.47728841
  H     -6.69383834      0.43980829      2.62604751
  H     -4.09181604     -0.84817998      4.50310103
  O     -5.91718192      2.98317256      0.61685689
  H     -2.06644571      2.46086154      5.53971048
  H     -3.66957589      0.47484833      3.84602065
  O     -0.07554894      3.31287480      2.18202509
  H     -2.32252401      0.94783235      5.40879422
  H     -4.23115080     -2.22537382     -1.27077263
  O      0.52188835      1.17684833      3.99410577
  H     -1.86267197      0.50376880     -1.28593744
  H     -3.96883309     -2.36856299      0.24550467
  O     -3.79321547      0.04380056      4.70722766
  H     -2.87289850     -0.09077989     -2.28551983
  H     -1.58124569     -2.71986418     -0.05074369
  O     -4.65906651     -2.18302673     -0.40637797
  H     -2.03624516     -1.81143962      1.86494897
  H     -0.68078974     -1.70835602     -0.79109867
  O     -1.15071048     -2.54692738     -0.89712544
  H     -3.33268569     -2.53919874      2.27212073
  H     -3.88256027      0.99761884      1.49507916
  O     -3.30605283      1.20156980      2.23964531
  H     -2.28486117      2.53544587     -1.68594009
  H     -3.17173405      2.15697422      2.27917819
          69
 Energy    -249.43039748531734     
  O     -0.88982360     -0.89694749      3.03692243
  H     -0.73348296     -0.53727263      2.15487137
  H      0.10751915      4.45627994      2.73552562
  O     -0.14962862     -0.77187959      7.33505677
  H     -1.76598060     -0.56835011      3.29887929
  H     -0.66718305      3.51063548      4.73964099
  O     -6.38750234      0.81696354      2.30471770
  H     -0.65597641     -1.56888846      7.10226420
  H     -0.62921322      1.99468485      5.02824979
  O     -5.36188911     -1.67756129      3.01147782
  H      0.39805199     -1.00431037      8.08070011
  H      0.38868247      3.36083016      0.79231985
  O     -3.70983707     -3.43901719      1.53524803
  H     -6.28918331      1.31663341      3.12251635
  H     -1.12752133      3.61265872      0.91106827
  O     -0.81145666      0.41441049      0.59766596
  H     -6.24626890     -0.11130768      2.54014566
  H     -1.50172844      0.57954375      7.38863574
  O     -3.09470890     -1.20534290      0.12709721
  H     -4.63411622     -1.05347435      3.16564198
  H     -1.88052344      1.89123727      6.66552366
  O     -1.65288795     -2.94111653      6.62662156
  H     -4.98318015     -2.37605598      2.46440404
  H      1.59630213      3.08923015      3.50694658
  O     -4.32802743     -2.45730353      5.52589502
  H     -3.44777606     -2.66693249      1.00078146
  H      1.61882448      1.60260402      3.91192447
  O     -2.65038116      2.51439721      0.91863036
  H     -3.85885490     -4.15578793      0.92451133
  H     -3.60916975      0.08373743      4.62915804
  O      1.59458269      1.85769105      0.64507745
  H      0.06243380      0.81316318      0.50480532
  H     -3.35442505      1.03636284      3.44665826
  O      0.38330973      4.59552821      3.65938158
  H     -1.42991976      1.14743569      0.73328025
  H     -5.44832031      1.00740280      0.83943860
  O     -1.17499067      2.78811395      5.13100143
  H     -3.75047987     -0.50058737      0.06412011
  H     -5.47253642      1.21163939     -0.69171927
  O     -0.26382408      4.00957595      1.08370632
  H     -2.23696653     -0.76461647      0.17001059
  H     -3.74494373      0.55296660      6.72409446
  O     -2.21617447      1.21708931      7.27023281
  H     -1.57628269     -3.22061619      5.70304111
  H     -4.50448394     -0.73399715      6.21683917
  O      2.00786480      2.24164057      3.29949299
  H     -2.60069647     -2.88024861      6.77882494
  H     -6.47996978      2.63841675      5.35359370
  O     -3.31585454      0.10920195      3.70893062
  H     -4.98047158     -2.31592187      4.82791926
  H     -5.45538748      1.48223371      5.38591278
  O     -4.88836504      1.04839588      0.04457655
  H     -3.52826097     -2.69739391      5.03648865
  H     -1.52375056     -2.50766080      3.57087629
  O     -4.52544185      0.23127815      6.24457264
  H     -2.92859389      2.75994976      1.81385379
  H     -2.61581537     -3.48209838      3.10984344
  O     -5.83475645      2.17848997      4.82239131
  H     -3.41903849      2.10418379      0.50377060
  H      0.07130930     -0.02356850      4.25016445
  O     -2.07718552     -3.24273913      3.87349171
  H      1.80738277      1.93951399      1.59231612
  H      0.39690125      0.08135305      5.76544794
  O      0.48431890      0.53972386      4.92174040
  H      2.42482505      1.83436910      0.17733876
  H     -4.25762930      2.83793045      4.00110078
  O     -3.42615747      2.89448507      3.51477787
  H      0.63588309      5.51163148      3.73544966
  H     -2.69493635      2.91107109      4.15040031
          69
 Energy    -249.42999968781572     
  O      8.65246168      3.25340890      1.43140772
  H      9.52616913      3.33226477      1.80612397
  H      7.22965618     -1.84754054     -2.66564151
  O      6.79364517     -3.31726229      1.79818572
  H      8.33072663      2.36399330      1.65598719
  H      3.93866849     -1.49706901     -4.80523010
  O      4.88780567      1.66180600     -3.53642279
  H      7.19023056     -4.11694227      2.13211483
  H      5.00493268     -1.44115762     -3.68521105
  O      8.76393755     -0.91874592     -1.90882250
  H      7.52213388     -2.74013156      1.50509793
  H      4.34914313      4.92057696     -0.57056252
  O      3.88719380      2.07080028      0.75478320
  H      4.66113953      0.78477996     -3.86998173
  H      4.56457592      3.71269799      0.37403399
  O      7.20337134      1.31161533     -2.09150397
  H      4.18792103      1.90123899     -2.91142496
  H      3.00529719      5.89137814     -2.61007435
  O      2.55788360     -0.45571923     -1.72374114
  H      8.28605976     -0.07753112     -2.01054918
  H      4.22625359      4.94444606     -2.70839014
  O      5.74833453      4.36208332     -3.39176210
  H      9.57409667     -0.83391386     -2.40623521
  H      5.62365755     -0.74346979     -0.14389439
  O      2.82865683     -1.78627986      0.63255442
  H      4.50378762      1.36181135      0.52666949
  H      6.24060778      0.55006788     -0.75403791
  O      4.47654652      2.56514721      3.36113747
  H      3.95594899      2.21247856      1.71098315
  H      5.39618378     -2.26399609      2.55631784
  O      7.61250952      0.77681935      2.00822910
  H      7.34369788      2.19126356     -1.71341130
  H      4.05789607     -1.58733921      2.17173138
  O      6.35254512     -2.17475853     -2.88943039
  H      6.44156140      1.37738742     -2.68425733
  H      7.93744544      3.71947695     -0.24426350
  O      4.21269585     -0.99909778     -4.03980473
  H      3.06201231     -0.71698577     -2.50298824
  H      6.50309318      4.11444153     -0.63484540
  O      4.92760645      4.57376897      0.11735032
  H      2.47700122      0.50527543     -1.77086524
  H      8.47232449     -0.75598952      1.32705454
  O      3.40430552      5.12046300     -2.21634797
  H      5.53085456      3.45304802     -3.64006901
  H      8.74194090     -1.40649635     -0.05126209
  O      5.78835730      0.19118923      0.02092298
  H      6.45398411      4.29830217     -2.73751545
  H      2.82132393      3.30722441     -1.93944180
  O      4.72354721     -1.64385574      2.86599457
  H      1.97761025     -2.15335009      0.85827599
  H      3.10352405      2.26601768     -0.82744556
  O      7.35199775      3.82738454     -1.00423153
  H      2.69124908     -1.25617615     -0.17301093
  H      5.78299097     -2.98886952      0.30860838
  O      8.67142569     -1.59586431      0.89219858
  H      5.11420643      3.28396458      3.23786363
  H      4.36128301     -2.48664999     -0.08486782
  O      2.83334600      2.36101718     -1.75493978
  H      4.96368436      1.83813660      3.76378700
  H      5.82114981      4.78320229      1.79436345
  O      5.26334541     -2.60628502     -0.41013688
  H      7.17322721      0.66147155      2.86060161
  H      7.14673437      4.19350676      2.29064065
  O      6.30501395      4.54772077      2.59752161
  H      6.94379089      0.58710404      1.33213714
  H      5.48343004     -0.39133389      3.79706097
  O      6.00046643      0.30185356      4.24615628
  H      5.95472188     -2.44639864     -2.04803196
  H      6.05519934      0.05385061      5.16500039
          69
 Energy    -249.42966253305684     
  O     13.53169494     11.97793274     -8.41492370
  H     14.27705329     12.47435089     -8.80064418
  H     11.76715408     13.97204812    -13.45322499
  O     11.21040846     11.19092995    -15.28474636
  H     13.58398251     12.08912128     -7.46981423
  H     13.69960600     14.71190092    -11.77582447
  O     13.94451487      9.50221385     -9.83566328
  H     11.17672818     12.06325707    -14.86636273
  H     12.60535505     13.62714074    -11.42947041
  O     18.41740399     12.31282025    -13.64469477
  H     11.62811872     11.32081458    -16.14604985
  H     11.91859811     14.30436128    -15.62006518
  O     11.68812372     12.34212941    -10.47769510
  H     13.17115701      9.48233923    -10.41636904
  H     12.53097149     13.60374474    -16.84812495
  O     11.89477036      9.85394086    -11.69450079
  H     13.83517893     10.27660058     -9.27262809
  H     15.36978545     12.06875758    -12.62825665
  O     13.38983081      9.99188837    -14.02241153
  H     18.07038433     11.70063425    -14.31350001
  H     14.06483973     12.89626101    -12.83000625
  O     15.31243843     15.53839312    -11.32012627
  H     19.36046742     12.36187302    -13.78382328
  H     13.66621496     11.72034882    -17.36726469
  O      9.56839764     10.29367581    -13.10884512
  H     11.78102146     11.48890824    -10.92936998
  H     12.62784212     11.62457069    -18.50676726
  O     15.12647023     14.08526968    -15.32773767
  H     12.20548070     12.27496490     -9.66564608
  H     15.42854910      9.08607291    -10.60387671
  O     15.37235209     11.82174100    -16.93723103
  H     11.00339002      9.84017643    -12.07014634
  H     16.71735866      8.23320580    -10.56181129
  O     11.03360860     13.71608519    -14.03201793
  H     12.49317939      9.82548491    -12.45441431
  H     16.02622123      8.75840523    -12.93406463
  O     12.99537795     14.16007412    -12.13693180
  H     12.62442432     10.27385248    -14.53851965
  H     14.96253633      9.08212025    -14.00669704
  O     12.57144863     14.41258607    -16.32321220
  H     13.87663342     10.80266668    -13.80254580
  H     17.91323195      9.85642505    -16.02237453
  O     14.66454192     12.26850270    -13.25570838
  H     15.43822361     16.46817450    -11.15003689
  H     16.87972364      9.82381167    -14.87340816
  O     12.71809657     11.79833652    -17.57344039
  H     15.92253363     15.30398607    -12.04236210
  H     17.45299753     11.80951911    -12.14012333
  O     16.27484028      8.91716681    -11.05710150
  H      9.99632077     10.48294405    -13.95495744
  H     16.70461961     10.68210440    -11.34795243
  O     15.89110330      8.83525479    -13.88543001
  H      9.30810362     11.14951559    -12.74826680
  H     10.09794470     12.76923863    -11.28930292
  O     17.42270553     10.41624991    -15.42531748
  H     14.96747606     13.41057756    -14.64945271
  H      8.64134188     13.27878551    -11.34529729
  O     16.76320445     11.63645887    -11.48753515
  H     14.26049509     14.35283867    -15.66783697
  H     17.50682339     14.06865335    -13.43396901
  O      9.34203533     12.91535350    -11.88124369
  H     16.02199924     11.28580479    -16.47255838
  H     16.34822727     14.76009520    -14.16000487
  O     16.93457810     14.84119949    -13.39216266
  H     15.40267397     12.68869628    -16.50768117
  H     15.50259330     14.12709921    -10.07912659
  O     15.55198401     13.28538427     -9.61195613
  H     10.29246803     13.55276733    -13.43757202
  H     16.05304455     12.69470132    -10.19200533
          69
 Energy    -249.42921569838614     
  O     10.63829780     12.58624559     -9.97665100
  H     11.39740501     13.17948666    -10.01463591
  H     12.92149768     13.27523778    -11.86234329
  O     12.20353494      8.99786368    -16.81998718
  H     10.34431059     12.45306075    -10.88675811
  H     16.18429301      8.69525137    -11.51648416
  O     11.15346486      8.76075319    -10.33875496
  H     12.12404262      8.46051670    -17.60295467
  H     16.94420424      9.13410136    -10.25152250
  O     13.37565826      8.94191467    -14.25923468
  H     11.30173072      9.13846868    -16.47912411
  H     14.12932609      8.16694937    -12.78107872
  O     12.71905647     11.77260808    -16.27380535
  H     11.65171886      7.97482868    -10.08102477
  H     14.19070055      8.90817035    -11.43457031
  O     10.83417375      9.28267133    -13.02830065
  H     10.82600702      9.20527375     -9.54597381
  H     12.97341159     15.24809234    -10.20219710
  O     14.43572446      7.65653913     -7.83566755
  H     13.85893452      9.78165105    -14.24234205
  H     13.88917542     14.00395143    -10.26855731
  O     13.42556011     10.38482657    -10.74640660
  H     13.06611291      8.81808080    -15.16421076
  H     13.53351677      7.01464496    -10.73911605
  O     12.96518461      9.86770708     -7.05135796
  H     13.47880220     11.76924411    -15.67832343
  H     12.88525189      5.68654824    -10.27895349
  O     15.46258162     13.28085044    -10.27771381
  H     12.63612165     10.86725217    -16.59862853
  H     17.67552368     11.98488965    -12.58197731
  O     10.43519229     10.48624147     -8.27480583
  H     10.84946944      8.99370327    -12.10595276
  H     16.84798787     10.85298310    -11.93749105
  O     12.84851037     12.54983802    -12.49486661
  H     11.72615770      9.16591790    -13.38253344
  H     10.03761917     12.26144943    -13.65921158
  O     16.89710903      9.26766634    -11.20671606
  H     13.92415797      7.21186811     -8.51916402
  H     10.32230237     11.01018765    -12.79919044
  O     14.42812268      8.07143423    -11.86685373
  H     13.86414915      8.35141352     -7.47388412
  H     14.45290233     10.85138676     -9.33908605
  O     12.96755894     14.30810143    -10.36102651
  H     13.24413678     11.13235507    -11.32839821
  H     15.67773538     10.48021057     -8.46384311
  O     12.96415859      6.61183247    -10.06079682
  H     12.58668805      9.94053432    -10.56818119
  H     13.97791620     11.89841082    -13.63097765
  O     16.78339620     11.72663006    -12.36242790
  H     12.10552977     10.12580333     -7.40158341
  H     15.45911754     11.50367966    -13.70589749
  O     10.17145078     11.96631778    -12.74907110
  H     13.60941672     10.47504900     -7.43884014
  H     11.10864964     12.29286325    -15.77826266
  O     14.99058143     11.14679096     -8.58642554
  H     15.89829617     12.83968008    -11.01535728
  H      9.85404184     13.13800152    -16.09636343
  O     14.62596418     11.43254360    -14.18499182
  H     15.40778636     12.62148869     -9.57025896
  H     17.39752525      8.72064847     -7.73844520
  O     10.18519527     12.45753264    -15.51627364
  H      9.66194919     10.60374300     -7.72916167
  H     15.95352872      8.39885797     -8.19005221
  O     16.74447314      8.92850933     -8.40095693
  H     10.49829583     11.27387678     -8.84438837
  H     10.00259271      9.36881896    -14.71415422
  O      9.82991256      9.59691810    -15.63840912
  H     11.90664252     12.39056931    -12.64053853
  H      9.77341018     10.56016749    -15.66039781
          69
 Energy    -249.42903015629221     
  O     20.93925228     11.65519043    -17.89140013
  H     21.44216824     12.40163362    -17.52146144
  H     19.03417027     17.34054618    -17.81982308
  O     22.59169167     13.82563465    -13.96504796
  H     21.55839195     11.13835209    -18.40111911
  H     14.80140551     13.42467936    -13.73073913
  O     15.76224305     15.02193322    -14.05233012
  H     22.38378929     14.77821274    -13.97236056
  H     15.20915554     12.23544328    -12.84416087
  O     16.83454317     11.63388212    -17.09672754
  H     23.28338627     13.69585723    -13.32289670
  H     21.93667392     16.58391458    -15.15809649
  O     16.72877358     11.67426084    -11.80418158
  H     15.87615473     15.97362264    -14.15952254
  H     20.92111463     16.56912633    -13.98304093
  O     14.89473905     10.53258981    -15.40025920
  H     16.53235762     14.70449560    -13.55759723
  H     18.67757092     13.66291423    -13.20616322
  O     22.37246485     13.71077038    -16.81467505
  H     16.09901210     11.19957936    -16.64720399
  H     17.57196224     13.29372975    -12.19897438
  O     22.20055356     16.57471229    -17.04622360
  H     17.63818019     11.36432478    -16.62927418
  H     18.00573161     10.14695824    -14.50275311
  O     16.65435084     17.72047459    -14.40510284
  H     16.99226922     11.04925239    -12.50363319
  H     16.47107089     10.02447317    -14.41431911
  O     19.92363281     13.11712433    -14.37366986
  H     16.68289021     11.17517840    -10.99311128
  H     16.12573580     15.52348703    -18.05661572
  O     18.57262351     12.69756563    -19.09936019
  H     14.70948665     11.25860857    -14.77776206
  H     16.89115727     15.88200546    -19.33783386
  O     19.74790776     16.77450694    -18.15648540
  H     14.07719977     10.05738057    -15.52053701
  H     18.73903239     15.74782599    -13.14705212
  O     14.60173411     12.49794954    -13.54730640
  H     22.56129326     13.64170554    -15.87091490
  H     19.00398713     15.99979064    -14.64430556
  O     21.84470524     16.40905936    -14.21232054
  H     22.33694534     14.65664044    -16.99880369
  H     16.96612236     17.51607368    -17.74809064
  O     17.99130144     14.04430072    -12.63746115
  H     21.35070542     16.71898152    -17.49733212
  H     17.18429682     18.00017322    -16.29824274
  O     17.27776636     10.00865586    -13.88393706
  H     22.83436124     17.15038172    -17.46685985
  H     19.81162044     10.95550334    -16.52196553
  O     16.20296310     16.20168240    -18.74329945
  H     16.47236052     18.52177154    -13.91907862
  H     19.43949266     11.62226695    -15.19222086
  O     19.01410096     16.43006361    -13.77341105
  H     17.52885105     17.41124991    -14.11600341
  H     18.07281421     14.75915919    -16.36539771
  O     17.54851830     18.05233062    -17.18647703
  H     20.84850171     13.26940085    -14.14581423
  H     19.31536105     15.54240278    -16.85440604
  O     19.19544146     10.89261401    -15.78256033
  H     19.69423872     13.73852294    -15.08366085
  H     18.54141236     14.29140358    -19.77890208
  O     18.98508140     14.98812289    -16.13913634
  H     17.86885427     12.30941164    -18.56603934
  H     18.58641184     15.12494934    -21.07996941
  O     18.54376980     15.19971414    -20.13042181
  H     19.40004113     12.36061907    -18.73424420
  H     16.44002545     13.37161318    -16.80451789
  O     16.35790620     14.32610641    -16.67800136
  H     19.40228217     16.28391477    -18.91350208
  H     16.03217904     14.49347240    -15.78433011
          69
 Energy    -249.42888983183292     
  O     11.95334127     11.28659494    -13.61475114
  H     12.52303884     12.04145535    -13.43374391
  H     19.47230694      8.45049910    -14.67931338
  O     16.40660956      6.90052704    -14.00500378
  H     12.29365676     10.91014598    -14.43862582
  H     14.03738854     14.22770653    -13.26779437
  O     18.11587724     10.43868700    -11.93908503
  H     16.11585503      6.63446766    -14.88588983
  H     14.23275401     13.24054956    -14.43929052
  O     13.19917341      7.60388687    -16.20049356
  H     15.74909238      6.64640717    -13.34237564
  H     16.27506013      9.67392276    -15.31269424
  O     15.89698826      8.40228705     -8.90546234
  H     17.20250905     10.75008737    -12.01095921
  H     15.81905788      8.61820998    -14.29123299
  O     14.68932995      6.55812738    -11.89293540
  H     18.26322265     10.21865075    -11.01079868
  H     10.63794088      9.28166532    -11.55382955
  O     15.46618547     11.12460530    -12.39000679
  H     12.88109882      7.36007020    -15.31779609
  H     11.61577752      9.99924429    -12.51596544
  O     16.99139474     11.85449120    -16.46226350
  H     13.08316216      8.55853666    -16.27130922
  H     18.90962329      7.16139585    -11.44305817
  O     16.43765332      5.73401626     -9.85334992
  H     15.21171420      8.71778444     -9.51066014
  H     18.79529201      7.76689039    -10.03535631
  O     17.25855108      9.11293654    -16.90189375
  H     15.99156280      7.45881702     -9.08350207
  H     12.04314122      7.76361486    -13.06511317
  O     15.67645516      6.70353273    -16.70880040
  H     14.51914964      7.46149043    -11.58663051
  H     13.14945786      6.70179303    -13.01267803
  O     19.72580558      8.82300468    -15.54130463
  H     15.22465536      6.13908909    -11.20779693
  H     18.72155386     11.20617269    -13.59079606
  O     14.02717921     13.30032705    -13.49207930
  H     15.54440821     10.58597184    -13.19516256
  H     19.32534407     10.63583165    -14.88545765
  O     15.67576167      9.53076943    -14.57011952
  H     15.01878759     11.93703745    -12.64920473
  H     17.93992599      7.54873824    -13.43100163
  O     11.51629062      9.23418260    -11.92118254
  H     17.65457362     11.86100311    -15.75620131
  H     18.49914877      8.83708058    -12.73887549
  O     18.79256750      6.92811028    -10.51317193
  H     17.07662596     10.99222337    -16.88813181
  H     17.44983259      9.16528817     -9.10447843
  O     12.46334477      7.06796896    -13.58405810
  H     17.30859101      6.08510008    -10.11189123
  H     18.68549342      9.86295575     -8.48630879
  O     18.90925861     11.42193279    -14.51255699
  H     16.59860739      4.92764281     -9.37097220
  H     14.45044598     13.56351769    -16.95000714
  O     18.75156324      7.98936455    -13.13431544
  H     18.13173548      8.92553274    -16.53120343
  H     15.47941282     12.60839225    -16.29855794
  O     18.34732760      9.49253100     -9.29696433
  H     16.77016332      8.28136975    -16.93333757
  H     13.20087407      9.18869648    -11.17320321
  O     14.58489148     12.98637137    -16.20322432
  H     15.63130759      5.98566677    -17.33416254
  H     14.57795486      9.87171694    -11.40690938
  O     14.14000690      9.13820607    -10.95403647
  H     14.76223769      7.01837906    -16.57839723
  H     14.11812087     10.02175568    -15.37472578
  O     13.36993285     10.40518327    -15.85901526
  H     20.61129716      8.51954338    -15.72339172
  H     13.67600862     11.26741581    -16.16073193
          69
 Energy    -249.42882619601366     
  O      1.70456152     -1.01818007      5.44353762
  H      1.22995868     -0.26524820      5.04814162
  H     -4.09460063     -2.00779656      3.52407305
  O      2.38371830     -0.27600877     -2.23506579
  H      2.20029534     -0.67499243      6.18259895
  H     -1.35777520      0.82266825     -0.01132745
  O     -0.80219781     -2.39166640      5.79719236
  H      2.38423285     -1.23762099     -2.14831700
  H     -1.92313902      0.37200939      1.34624396
  O      0.12703598     -0.01295539     -0.67910423
  H      3.03457863      0.04735793     -1.59950552
  H     -3.16449372     -0.50190288      5.35199675
  O      2.22871449     -3.09232172     -1.52414763
  H      0.09032307     -2.03336753      5.75723417
  H     -2.28818039      0.72423471      5.65876691
  O      3.78832837     -2.25353245      0.53141481
  H     -1.38994818     -1.63415919      5.93551724
  H     -2.41282091     -0.83021600      3.16772457
  O     -3.50786882      2.34530188      2.56496965
  H     -0.13799860     -0.94040946     -0.62125830
  H     -0.97963207     -0.23382270      3.34384288
  O     -3.76071091     -3.55826373      2.72182802
  H      0.83601717      0.02928879     -1.33522370
  H      0.47176277     -2.98592197     -0.90660250
  O      0.36999797      0.92445116      4.07794255
  H      2.80743706     -2.86531651     -0.77402776
  H     -0.24631869     -2.96881202      0.47437135
  O      3.96423317      0.56252381      0.03571586
  H      2.66225536     -3.79499881     -2.00152456
  H      1.41064287     -2.40417245      2.63058848
  O     -5.67426269      0.49108747      2.23113337
  H      4.03604779     -1.33797229      0.35341178
  H      2.19975645     -1.70215766      3.76510156
  O     -4.07432051     -1.11057954      3.89092222
  H      3.35546116     -2.24361557      1.39608105
  H     -2.01367703      3.25243949      5.17466239
  O     -2.09081396      0.96844895      0.59910159
  H     -3.00091628      2.06408571      1.79033911
  H     -2.47925123      2.42302641      3.95790857
  O     -2.47018928     -0.17632878      5.94468137
  H     -4.32905285      1.84110550      2.52925578
  H      1.85612324     -0.29808340      1.99900370
  O     -1.55557362     -0.71167549      2.73568555
  H     -3.02765773     -3.96310056      3.20227437
  H      1.06360379      0.39691346      0.84815553
  O     -0.36721846     -2.78814799     -0.47144356
  H     -3.48870219     -3.48452644      1.79963815
  H     -1.46185307     -5.27524548      4.74359525
  O      2.22180053     -1.91114060      2.82368879
  H     -0.31455781      1.58324862      4.25573548
  H     -1.28516787     -3.74054470      4.84072977
  O     -1.86507980      2.43120226      4.71356890
  H      0.75376242      1.07321808      3.20356289
  H     -0.56442321     -3.69434325      2.85899977
  O      1.65505634      0.56037360      1.59696333
  H      3.19977617      0.70380272      0.61755969
  H     -0.72155961     -2.22713317      2.39259260
  O     -1.49843192     -4.47247377      4.23161822
  H      4.55629519      1.29689130      0.17702476
  H     -2.16422969     -3.03089773     -0.30920316
  O     -0.21588584     -3.04216829      2.23964110
  H     -5.29532072      0.08184947      1.43156209
  H     -3.44360117     -3.78377728     -0.71887986
  O     -3.09951786     -3.15677600     -0.08559379
  H     -6.60881951      0.59107776      2.07384001
  H     -3.60378601      0.01444464      0.11573761
  O     -4.37032621     -0.57625440      0.11405360
  H     -4.71257246     -0.57840143      3.40161449
  H     -4.01330393     -1.46736544      0.03280972
          69
 Energy    -249.42862961867692     
  O     11.47050580      9.42638560    -10.49828744
  H     11.26635287     10.30559730    -10.85246072
  H     10.64075400     12.74555092     -9.95376527
  O     11.97923803      7.66888184    -12.54349992
  H     11.68076894      8.82803736    -11.22920379
  H     11.19784692      8.60165799     -8.87179967
  O      8.80860202     10.69856418    -12.95486293
  H     11.49990292      6.88983036    -12.23174689
  H     11.05588370      8.79869441     -7.35037133
  O     13.96258031      9.99418643     -9.41788477
  H     11.49912695      8.08085535    -13.27422493
  H     10.95999303     10.61199902     -5.47389450
  O     15.12605679      7.44626846     -9.60145670
  H      8.50834188     10.18633445    -12.19121503
  H     11.66746274     11.00412393     -6.78820802
  O     12.13443002     15.21976439    -10.44578413
  H      9.36372692     10.11864139    -13.49041074
  H     12.17442718      5.87380033     -9.87908137
  O      8.56447535      9.42740255    -10.41944652
  H     13.11641704      9.77392043     -9.83214784
  H     12.22527366      6.78421565     -8.63577905
  O     12.83035425     13.35941358    -12.49966117
  H     14.46829155      9.17375656     -9.38072531
  H     14.59455267     11.29107121    -10.55223729
  O     14.30912896     13.88813050     -9.08324611
  H     14.30947774      6.93764734     -9.44546636
  H     15.20318597     11.50972626    -11.95142771
  O      9.05182442      6.82419539     -9.50721054
  H     15.82976817      6.98303058     -9.15569465
  H     11.51162756      9.96593682    -14.43234962
  O     14.74951784      8.02368507    -12.36665340
  H     11.55236845     14.62993466     -9.93787101
  H     10.63262047      9.15724992    -15.41355666
  O     10.71684473     13.23939723     -9.12032580
  H     11.76713357     16.09694636    -10.37156765
  H     11.43025037     12.35866439    -11.94827037
  O     11.09178291      8.12279307     -8.03617639
  H      9.51770974      9.30769556    -10.51462214
  H     10.03645809     11.61836339    -12.05815725
  O     10.97924093     10.43183967     -6.41080820
  H      8.47487672     10.04621795     -9.67880663
  H      9.26548326     12.02234510     -8.52763758
  O     12.76495571      6.20857886     -9.19596718
  H     12.61185976     14.13191379    -11.96458206
  H      9.42624761     10.84445512     -7.57446317
  O     14.86298256     11.97807692    -11.17844199
  H     13.55954970     12.91277391    -12.04207661
  H     12.74825049     12.00008853    -13.87513457
  O     10.81502024      9.28621470    -14.48596920
  H     13.69280765     14.48728206     -9.52084684
  H     13.71377826     10.82962592    -14.08911789
  O     10.75897296     11.86377773    -11.46275529
  H     14.68558534     13.34493906     -9.78752155
  H     15.23818983      9.51266426    -13.06419841
  O      8.85901082     11.18506751     -8.27537371
  H      8.60741837      7.61361946     -9.84278073
  H     16.20808558     10.28429226    -13.99342918
  O     12.81376696     11.12510858    -14.27545208
  H      9.63019336      7.14702688     -8.80345352
  H     10.07237165      5.96375846    -10.62285616
  O     15.44072313     10.38997950    -13.43778951
  H     14.96773069      7.77724079    -11.46044600
  H     10.45061121      4.67609018    -11.39219629
  O     10.74644065      5.56186523    -11.20004817
  H     13.81097292      7.82357956    -12.48438651
  H     13.39919119     12.70259747     -8.02489717
  O     12.87001649     11.93527356     -7.76227668
  H     11.41388217     12.80290035     -8.61270998
  H     13.27214242     11.18869697     -8.22897268
          69
 Ord_Energy   -249.428207    
 O   -7.63056326     -0.611282408     -0.734583437    
 H   -8.45569706     -0.169729605     -0.498559624    
 H   -6.97672796       9.39572901E-02 -0.810313642    
 O   -4.15887117     -0.476793051       5.53000593    
 H   -4.88876343     -0.268033117       6.13285351    
 H   -4.33112097      -1.35857391       5.18126059    
 O   -5.76979733       1.54576135     -0.527398229    
 H   -5.09209776       1.84478509      -1.12753034    
 H   -5.32348728       1.05581760      0.187172487    
 O   -7.38249302      -4.40014505       4.68064833    
 H   -7.61649275      -5.29757261       4.89874268    
 H   -7.78560543      -4.20280647       3.81461263    
 O   -8.04709244      -1.83134842       5.61652422    
 H   -7.69753838      -1.36647379       4.84701586    
 H   -7.88291359      -2.76847029       5.45393562    
 O   -9.47781372      -1.02516186       2.42587256    
 H   -9.93801212     -0.544110954       3.12680554    
 H   -9.56543827     -0.471433222       1.63879085    
 O   -6.43331671       4.06346982E-03   7.02675009    
 H   -7.06643867      0.681077838       7.28656054    
 H   -6.96958971     -0.734681726       6.70990467    
 O   -9.79410076       3.93861699       2.60859847    
 H   -9.53653240       3.71633887       3.51355410    
 H   -9.03771687       3.69846129       2.05764961    
 O   -6.87157011     -0.666902542       3.20784116    
 H   -7.73894024     -0.816823602       2.80543542    
 H   -6.24710417     -0.414873749       2.51339459    
 O   -8.87186623       2.72986674       5.00154781    
 H   -7.98406029       2.57010889       4.65116024    
 H   -8.83201313       2.52531624       5.94431400    
 O   -7.62582207       2.64854550       1.28445685    
 H   -7.18749237       2.47462416       2.12873387    
 H   -6.98663235       2.43548679      0.593419611    
 O   -10.2106781     -0.357440144       6.62873077    
 H   -10.6146717      -2.96863094E-02   5.81464577    
 H   -9.53989601     -0.993176937       6.34273148    
 O   -10.7297106      0.801934540       4.11488295    
 H   -11.2476406       1.22006965       3.41716719    
 H   -10.0830860       1.46211052       4.40523577    
 O   -3.70468998       1.48551619       3.78025770    
 H   -2.89547753       1.94346440       3.98732567    
 H   -3.80928230      0.780041575       4.44721127    
 O   -6.48410130       2.02436638       3.78749967    
 H   -5.52445269       2.07319307       3.86412811    
 H   -6.69010496       1.07865238       3.76507878    
 O   -9.68031502      0.919277370      0.454967946    
 H   -10.5077000       1.30471694      0.767133117    
 H   -8.98105431       1.52508962      0.743530929    
 O   -8.43490982      -3.63696384       2.31274509    
 H   -8.96779919      -2.83233118       2.35952353    
 H   -7.87246799      -3.53258514       1.53540921    
 O   -8.72636604       1.70230794       7.60685444    
 H   -9.30447197      0.958304882       7.35802031    
 H   -8.98776340       1.97214270       8.48313427    
 O   -6.80945206      -3.08920193       3.99460495E-02
 H   -6.84108019      -3.65677452     -0.726840675    
 H   -7.11728048      -2.21378469     -0.253564537    
 O   -4.36102247      -2.52119064       1.40222728    
 H   -5.15277624      -2.80655098      0.927698851    
 H   -4.48049545      -2.79398394       2.32179451    
 O   -11.7676449       2.22964406       1.87198508    
 H   -11.1355906       2.93157172       2.11381078    
 H   -12.5954580       2.65843010       1.67346680    
 O   -5.14569235      -2.75664568       4.09701729    
 H   -5.73919153      -3.46179438       4.38161135    
 H   -5.72916937      -2.04776978       3.78922915    
 O   -4.73474026      0.150613308       1.53663731    
 H   -4.25632668      0.575357735       2.25976133    
 H   -4.44199800     -0.770037353       1.44750524    
          69
 Energy    -249.42755744530666     
  O     16.21212770      8.54529339    -17.27991846
  H     15.39503590      8.52011054    -16.77163074
  H     20.08382468      4.39936377    -14.56677617
  O     12.98424952      3.56366371    -15.33124404
  H     16.88476475      8.90954980    -16.69066829
  H     17.99915743      5.67483411    -16.51933723
  O     18.13692542      5.96202247    -11.99234863
  H     13.73677592      3.11201838    -15.75950569
  H     18.44735579      6.03705311    -17.93568501
  O     15.54432031      4.40300618    -18.59329802
  H     12.21985411      3.00940011    -15.45975762
  H     15.68984985      5.55480558    -15.99502482
  O     14.17697020      7.66179235    -10.29883854
  H     17.72899813      6.61879988    -12.57661268
  H     16.65562212      4.62111953    -15.19507322
  O     13.97418044      4.73761045    -12.99840085
  H     17.60340099      5.15708884    -12.06011683
  H     13.82569939      8.13760002    -14.75033463
  O     16.86853155      7.61293815    -13.78482898
  H     14.86370113      4.91153491    -18.12947952
  H     13.04539920      9.03080390    -15.74025740
  O     17.16551471      2.94527085    -14.67006260
  H     16.17859655      5.06573741    -18.88543085
  H     14.76607177      4.11061517     -9.61084117
  O     13.33911363      4.90223947    -10.27389490
  H     15.05550355      7.30840913    -10.06881120
  H     15.53236397      3.16496211     -8.65347672
  O     20.09653219      7.58458681    -15.46317558
  H     13.98275151      8.34601922     -9.66376539
  H     13.45298633      5.11459086    -16.26515418
  O     15.13384504      2.51754042    -16.54283132
  H     14.02463369      5.68871738    -13.15890235
  H     13.72112632      6.64960845    -16.43158723
  O     19.71017607      3.80532023    -15.22827225
  H     13.59176396      4.31721792    -13.77852223
  H     21.28099431      5.68251539    -12.67762333
  O     18.78553595      5.74756127    -17.08095337
  H     17.30380273      8.33698295    -14.24879670
  H     19.74491248      5.82494210    -12.75782855
  O     16.50059905      5.53376856    -15.47336127
  H     16.76661470      6.88203330    -14.41842458
  H     16.26293804      3.59435172    -11.15708951
  O     13.71827460      8.35599391    -15.69066803
  H     17.00187399      3.04054554    -13.72370094
  H     15.57774693      4.08747353    -12.45125152
  O     15.65165809      3.78592173     -9.36660977
  H     18.10703495      3.11131492    -14.83161570
  H     17.21542075      6.41913239    -10.38907756
  O     13.95514607      5.77444349    -16.76070547
  H     13.44820488      5.85634386    -10.18085201
  H     16.34665726      5.57964514     -9.43753282
  O     20.55545140      5.77232423    -13.29060401
  H     13.40501665      4.73346890    -11.22461922
  H     15.19472438      7.63493079    -13.27948029
  O     16.41704863      3.75828052    -12.09484385
  H     19.74340158      6.96290603    -16.11655959
  H     14.12196409      7.68267677    -12.15612183
  O     16.55364202      6.48849447     -9.68965033
  H     20.34758505      7.04967058    -14.70153159
  H     18.93262597      8.84008806    -15.44539216
  O     14.24226275      7.55835505    -13.10557637
  H     15.38709035      3.03339312    -17.32165382
  H     18.54829035     10.33642969    -15.33682035
  O     18.18044042      9.46041525    -15.40924240
  H     15.89747281      2.49763833    -15.95076738
  H     16.79833871      7.39606545    -18.51621756
  O     17.18033579      6.75389879    -19.13975068
  H     19.55238422      4.35212187    -16.00937574
  H     17.22484004      7.19076520    -19.98609713
          69
 Energy    -249.42711702737978     
  O     14.30284953     11.83063605    -14.37402999
  H     15.00434421     11.46663254    -13.81268504
  H     13.27403485      6.06491559    -15.75484393
  O     15.35060341      5.85994160    -13.78051820
  H     13.85174371     11.07284501    -14.77820815
  H     20.48048762      6.32743557    -15.01199056
  O     18.20400693      8.91854838    -11.71453769
  H     14.94002464      5.57823311    -14.60769016
  H     19.78022592      7.63565756    -14.56277215
  O     18.53527526     10.57759057    -16.28737439
  H     14.64470819      6.16679816    -13.19124650
  H     15.46742982     11.00409785    -17.26537926
  O     12.25054284      7.07460445    -14.76908472
  H     18.08510694      8.87195747    -10.75801212
  H     15.46208756     11.80040875    -15.94166884
  O     14.83971898      8.53929352     -9.08283361
  H     18.03698090      8.02627646    -12.05177949
  H     15.63396119      7.53291352    -14.41731606
  O     13.39054356      6.94188891    -12.15289656
  H     19.12396716     11.15306837    -16.76978853
  H     16.46090306      8.27030016    -15.49843709
  O     16.13565394     10.30971541    -12.91461426
  H     17.64351623     10.95536212    -16.38481288
  H     13.02900964     12.01976769    -13.01842052
  O     15.36207654      7.33688520    -17.99524337
  H     12.44348833      7.98416434    -15.03477194
  H     12.02665545     12.69055435    -12.06655849
  O     14.33163370      5.78873778     -9.76908581
  H     12.45493757      7.01586402    -13.82716245
  H     17.33098163      6.66485024     -9.60888721
  O     17.80419860      7.89726664    -16.69985046
  H     14.44413765      9.01060886     -9.82891837
  H     17.41070630      5.86684110    -10.92463731
  O     13.95611196      5.53763452    -16.20997376
  H     14.55697393      7.62185661     -9.17683366
  H     19.30836079      9.33365564    -13.18650988
  O     19.62449987      6.72279966    -14.87009393
  H     13.58433504      6.47235774    -11.33143939
  H     19.30879727      9.84776812    -14.65721225
  O     16.02759542     11.51644938    -16.66926575
  H     13.49158543      7.88481928    -11.95621992
  H     16.98898091      6.05092867    -13.08122006
  O     15.78750315      8.39657066    -14.81978162
  H     16.03915288      9.66625157    -13.63461507
  H     18.48273676      6.29594268    -13.42090125
  O     12.45530654     11.85935057    -12.25365037
  H     16.88800516      9.99509847    -12.39879487
  H     16.57708657      8.58571552     -9.00036149
  O     17.04027301      5.84786465    -10.03256653
  H     16.26870736      7.41730608    -17.66961017
  H     17.87043137      8.79337467     -8.17613710
  O     19.77675914      9.28305946    -14.03039820
  H     14.91391897      6.71085700    -17.41392739
  H     14.68608814      8.92891574    -18.22643086
  O     17.84544179      6.29066205    -12.69748397
  H     14.07174662      5.05569365     -9.21769204
  H     13.96876957      9.96112290    -19.12876774
  O     17.54710428      8.49450717     -9.02148734
  H     15.29765468      5.72863854     -9.87872700
  H     14.68052002      9.83731677    -11.91838698
  O     14.31793087      9.83046969    -18.25153384
  H     18.41823329      7.37203544    -16.17143302
  H     13.24381171     10.33184203    -11.62992656
  O     13.85338443      9.59752348    -11.47830964
  H     18.13257810      8.80721979    -16.68717583
  H     13.47662879      9.65790503    -16.57223991
  O     13.37894453      9.50345365    -15.62440343
  H     13.51421268      4.77621378    -16.57726727
  H     14.20961833      9.08353984    -15.34826859
          69
 Energy    -249.42687170050732     
  O     14.49632244     13.86104183     -9.90986585
  H     13.85047051     13.16618990     -9.72877270
  H     14.48382087     12.03407203    -12.93113568
  O     15.39271398     13.87511594    -16.06378214
  H     15.23839545     13.71917822     -9.30715888
  H     13.31364127     13.58558600    -13.76680738
  O     15.66827057      8.84045578    -10.78458100
  H     15.46516464     14.12024521    -16.98296727
  H     14.03547634     14.45636740    -14.78672062
  O     17.24126592     16.18004192    -12.04211299
  H     15.31995121     12.90615277    -16.04029679
  H     20.79680106     11.98697347    -11.14690658
  O     15.23432544     11.12426465    -15.76487217
  H     15.68285297      8.01668674    -11.28612161
  H     19.49711868     12.82291415    -11.20173103
  O     15.61647348      6.66226384    -12.57780471
  H     16.41324350      9.37177846    -11.10683554
  H     12.85889783     10.99321155    -10.12756950
  O     16.52981379      7.72504923    -14.90280935
  H     17.48687548     17.10021493    -12.00565893
  H     12.00080972     11.53112401     -8.96076823
  O     15.87449612     12.62518725    -12.04203326
  H     16.27079783     16.14299920    -11.95228847
  H     13.46255047      8.18704581    -16.65659286
  O     13.16665842      9.89835180    -11.49131508
  H     16.07069962     10.86957505    -15.34579310
  H     13.64395642      8.37810747    -15.13369347
  O     17.57144675     10.29561060    -14.51535551
  H     14.78022403     10.30394059    -15.99576673
  H     14.55203606     10.94424233     -8.73052711
  O     19.37301011     12.36260048    -14.39266447
  H     16.02388505      7.00397571    -13.39417771
  H     15.60497982      9.94643964     -9.23999259
  O     13.73403957     11.70885957    -13.45546188
  H     15.87432447      5.74737783    -12.50405252
  H     17.93511168     13.78412861     -9.82045055
  O     13.47222668     14.50708501    -14.00587440
  H     17.03217166      8.54885655    -14.83874718
  H     18.11702190     14.82882035    -10.95561744
  O     19.94964569     12.04758800    -11.57987469
  H     15.74156105      7.94012449    -15.41524659
  H     16.96578063     11.28643868    -11.76089919
  O     12.85740314     11.60686191     -9.37335271
  H     15.45485314     13.15734834    -11.35610845
  H     18.46157451     10.91079456    -11.60990877
  O     14.01058365      8.61526737    -16.00422939
  H     16.34984909     13.20615281    -12.65184573
  H     14.13966485     15.48171290    -12.60695754
  O     15.47541031     10.68254333     -8.62902441
  H     13.29180005     10.52208831    -12.22428062
  H     14.40696051     15.30059779    -11.09216658
  O     18.55217285     14.10598528    -10.48938057
  H     14.03683433      9.54130722    -11.25776467
  H     13.92103590      7.33882178    -13.15996724
  O     17.58066788     10.53544609    -11.72429124
  H     17.49976310     10.25681680    -13.55238820
  H     12.97294222      8.50116840    -12.82622774
  O     14.58533478     15.87909778    -11.84483230
  H     18.27178794     10.94266692    -14.67956661
  H     17.03601839     13.19898629     -7.57255049
  O     13.19202383      7.86325233    -13.51532454
  H     18.69818814     13.05068655    -14.30325694
  H     16.41751174     12.16294404     -8.53680746
  O     16.77956718     13.06538091     -8.48187217
  H     19.72548820     12.24509728    -13.50217852
  H     17.27832133     14.97440566    -13.45614563
  O     17.24679326     14.14290353    -13.94664499
  H     14.11543880     11.44099777    -14.29982218
  H     16.62483612     14.22431829    -14.68019200
          69
 Energy    -249.42605543057502     
  O     15.50068752      5.64424648    -16.58243036
  H     15.76177033      6.40838607    -17.10950702
  H     17.87096779     12.54468796    -14.59065534
  O     18.04334887      9.43006121    -13.72708874
  H     16.30312515      5.36519641    -16.12585741
  H     16.19903224      6.96288999    -13.31725050
  O     11.00534216     10.81171322    -12.30857145
  H     17.24168781      8.88875129    -13.66002717
  H     15.21499829      8.03923119    -12.78552501
  O     17.11062186      5.47154766    -12.75540912
  H     18.38202820      9.50489779    -12.82628496
  H     14.03529356      4.84271239    -11.99200753
  O     11.66319701      8.06185375    -12.75035500
  H     11.15324940     10.92675030    -13.26535345
  H     14.88979105      5.24686349    -10.76480347
  O     16.53506998     11.68837306    -11.37000994
  H     10.20043505     11.27619038    -12.09605705
  H     18.54475134      4.37280457    -15.34722321
  O     14.47480702     11.45858373    -14.63346077
  H     16.32971286      5.03238519    -12.38346134
  H     17.72575320      5.20236829    -14.33102223
  O     12.88341286      5.46366985    -15.82382380
  H     17.52724692      5.96546718    -12.03377843
  H     12.12677305      6.18852903    -12.78323733
  O     14.83623908      8.99885371    -15.77451751
  H     11.83322314      8.11529297    -13.70283418
  H     12.72117576      5.34110944    -13.92056815
  O     12.22485427      8.18745233    -15.49268011
  H     11.29273333      8.91427198    -12.49350184
  H     19.13991187     10.17265909    -10.41441323
  O     16.51093753      8.05763025    -17.78140491
  H     16.77156574     11.98161787    -12.25891153
  H     17.73876286     10.45372478    -11.00217712
  O     17.19949187     12.03196860    -14.14787650
  H     15.57375266     11.60175151    -11.37444664
  H     18.54217320      8.39304130    -15.25123553
  O     15.80760809      7.82231964    -13.51641922
  H     15.35697825     11.83829775    -14.54716597
  H     18.48139995      6.91849349    -15.73188609
  O     14.85625150      4.64530974    -11.51671137
  H     14.60424756     10.60818268    -15.08155613
  H     18.04071085      7.95643767    -10.68281278
  O     18.00012370      5.15109307    -15.26425452
  H     13.82291616      5.51118818    -16.07232966
  H     16.99574418      6.94976359    -10.15162571
  O     12.60621438      5.37186104    -12.96295564
  H     12.50785993      4.74313696    -16.32386699
  H     11.70876503     10.04536334    -15.28053332
  O     18.45525651      9.79640662    -10.96196115
  H     15.17720423      8.48485398    -15.02552325
  H     12.57735262     11.28359087    -14.96031898
  O     18.56035988      7.83259028    -16.03646139
  H     15.36323145      8.76704115    -16.54778822
  H     14.75631806      6.90969886     -8.74911528
  O     17.83888250      7.01605713    -10.61926338
  H     13.12616079      8.50754385    -15.64885145
  H     14.75447308      7.44115600    -10.20028204
  O     11.67219526     10.94683350    -14.93529996
  H     12.26498844      7.24291020    -15.68805212
  H     12.83827985     11.18851975    -11.88416196
  O     15.18180142      6.81000577     -9.59696565
  H     16.80621129      8.25383637    -18.66568564
  H     14.02432713     11.30124874    -12.86695974
  O     13.80179757     11.20833647    -11.92818295
  H     17.30467838      8.02147401    -17.21646701
  H     13.23548192      8.21065464    -11.85956912
  O     14.06775684      8.49168147    -11.45378915
  H     17.52962662     11.11878126    -14.09987161
  H     14.07836698      9.45598302    -11.50824046
          69
 Energy    -249.42598227875936     
  O      4.82782981      3.34137131      0.42326442
  H      4.21466032      2.69660824      0.02940128
  H      2.11586754      4.82843752     -2.53332909
  O      5.99736164     -0.68719309     -0.26200145
  H      5.64263424      2.85858751      0.63232367
  H      4.36332332     -2.41175757      2.42917863
  O      1.31955905      3.97971761      2.72707274
  H      6.26789678      0.17762996      0.07880154
  H      3.84769916     -1.02959684      1.96462585
  O      0.24479396      1.83303814      1.14074114
  H      5.59369863     -1.14726674      0.48378317
  H      5.52678001      3.68488951     -1.32596353
  O      3.46604068      4.51133913     -3.54522028
  H      1.73386275      4.45073048      1.98061153
  H      6.80463376      3.61637047     -2.20857432
  O      5.93135664      0.70157791      3.34200539
  H      0.87934878      4.63681230      3.25932813
  H      3.57155622      0.87008043     -1.29122622
  O      0.69936027      2.22609499     -1.56318215
  H      0.82876639      1.11940834      1.42077288
  H      2.34124753      1.78762750     -0.99196453
  O      2.62730249      0.24659122      1.74733178
  H      0.48610668      2.58471080      1.69649446
  H      8.44082537     -0.25184803     -2.33538395
  O      2.59393097      5.08469350      0.61920626
  H      3.36655656      3.82885032     -4.21967269
  H      7.71201006     -0.80863542     -1.08751724
  O      3.22558999      2.29340255     -5.33301154
  H      4.33467939      4.37688894     -3.14477457
  H      7.24180261      0.96941385     -4.06167767
  O      1.83163023      0.68175815     -3.66842867
  H      5.18678686      1.30516285      3.46285608
  H      8.51891419      0.53616024     -4.81644962
  O      1.35715285      4.94520023     -1.93286695
  H      5.55349739     -0.13951878      3.05700726
  H      8.53463849      2.30308854     -2.87211773
  O      4.64626343     -1.57489196      2.06953818
  H      0.80119145      3.17633649     -1.70423498
  H      8.90611241      2.66303144     -1.42868375
  O      5.84060254      3.71628142     -2.23620863
  H      0.37763002      2.09567589     -0.65786298
  H      4.14157451      2.87483781      2.21213917
  O      3.19283130      1.48508293     -0.65061756
  H      2.93847243      0.95483155      2.32823544
  H      2.89938019      3.01898965      3.10708374
  O      8.58266226     -0.58125024     -1.43855487
  H      2.79672778      0.57404194      0.85053773
  H      4.85054879      1.80371364     -4.59522730
  O      8.17286412      0.71635383     -3.94589771
  H      2.17482349      5.08599840     -0.25034583
  H      5.64473265      2.30835493     -3.35861254
  O      8.49802615      3.01936676     -2.22650354
  H      3.45512730      4.66226281      0.51197271
  H     10.38502312      1.38612468      0.36247841
  O      3.71491745      2.51229305      2.99896646
  H      2.87955416      2.25986129     -6.22037881
  H      9.27265126      0.71080412     -0.47972907
  O      5.57482461      1.58217679     -3.99686653
  H      2.66030997      1.71791248     -4.78603458
  H      7.84236116      1.68970355      0.79877487
  O      9.50652738      1.51642366      0.01682419
  H      1.31833778      1.12527290     -2.97952694
  H      6.73585735      1.35017594      1.87495242
  O      6.89534679      1.68545614      0.97926161
  H      2.48761959      0.13021865     -3.22577863
  H      4.88038496     -0.59775899     -1.72316083
  O      4.26717500     -0.32130898     -2.41911753
  H      0.84010860      5.66723609     -2.28040136
  H      4.76965951      0.25185606     -3.01504437
          69
 Energy    -249.42578714489980     
  O      1.48910043      0.81623974      3.41592620
  H      1.62762156      0.02840693      2.86952084
  H     -4.46285151      5.27405169      2.40787429
  O     -3.50955704     -4.04160253      4.27477269
  H      2.29299314      1.32974648      3.36066285
  H     -3.59721317      4.14376069      7.63272097
  O     -4.42880779     -1.94975973      2.62383410
  H     -2.90011629     -4.45831108      3.65414335
  H     -3.96113831      3.41614316      6.31766447
  O     -4.53510149     -1.85613261     -0.18615951
  H     -4.00662314     -3.39720678      3.75345454
  H     -1.90444443      2.37597266      6.75620669
  O     -3.31642296      1.88241196      2.28341176
  H     -4.59579329     -1.97974647      1.67443577
  H     -1.14768526      1.91259132      5.49344962
  O     -3.07146368      0.41537573     -0.09394083
  H     -3.49599086     -1.70788882      2.73015563
  H     -5.03350301      3.53482728      4.35568449
  O     -0.69480546     -0.83934516      0.68151559
  H     -4.06942648     -0.99979688     -0.21492601
  H     -5.24633224      2.07876950      4.81488796
  O      1.80897830     -1.49776351      1.89133484
  H     -5.19687199     -1.83415534     -0.87123241
  H      1.08636303      0.13955935      5.20478076
  O      0.24845801     -3.19002321      3.30533354
  H     -3.65186914      2.78613007      2.34303334
  H      0.17260371      0.48905729      6.38865406
  O     -1.65820627     -4.97791136      2.29714485
  H     -3.85955615      1.34685763      2.87822025
  H     -2.34411700      4.54466706      5.35996912
  O     -4.87799900      0.38821708      4.08363653
  H     -2.16367921      0.09082813     -0.02506213
  H     -1.50064684      4.00876826      4.18744557
  O     -4.21857955      4.48214515      2.87828686
  H     -3.19835291      0.99237874      0.67147744
  H     -1.12526688     -1.89709736      3.33732473
  O     -3.21740484      3.70288408      6.87763436
  H      0.23875637     -0.98398833      0.86336444
  H     -2.02802491     -0.86322423      4.06402178
  O     -1.29337606      1.70450803      6.42979636
  H     -1.12989089     -0.82999661      1.55040927
  H     -0.74796494     -2.97221058      6.31085678
  O     -5.18563485      2.98804714      5.13628806
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  H      0.39813906     -1.94468608      6.09875529
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  H      2.57418243     -1.94834415      1.54456341
  H     -2.95954119     -3.45978510      5.82154043
  O     -2.03492685      4.76334698      4.47196510
  H      0.27940160     -3.18184731      4.27650874
  H     -3.02919891     -3.54026914      7.36567394
  O     -1.76232139     -1.18551214      3.19364306
  H     -0.32018238     -3.91202653      3.01347111
  H     -1.52580247     -2.50067253      0.27594303
  O      0.14491418     -2.87056702      5.96273399
  H     -1.59900280     -5.87158132      1.97009152
  H     -2.97240657     -2.93763793      0.00521686
  O     -2.62462306     -3.06317080      6.64638870
  H     -1.84895391     -4.40905087      1.52916688
  H     -0.15441971      1.76097773      3.47617733
  O     -2.09896831     -3.27688026      0.23492247
  H     -4.22506546      0.13537290      4.75563024
  H     -1.66701639      2.02149085      3.15662301
  O     -0.93023146      2.27340284      3.72988489
  H     -5.00094830     -0.40558108      3.54818475
  H     -2.74986228     -1.28630448      6.15777580
  O     -2.83315226     -0.45423486      5.67655459
  H     -3.43113966      4.69846148      3.40965061
  H     -2.28619238      0.22195531      6.09638097
          69
 Energy    -249.42538243443673     
  O     14.27251957     11.89373340    -13.84435044
  H     15.02487590     11.49361287    -13.38221629
  H     19.67553128      7.73627299    -14.89257649
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  H     13.78191406     11.16415976    -14.25426873
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  O     18.39656180      8.79181495    -11.81147600
  H     14.84592180      5.67480576    -14.61949188
  H     15.26774104     11.98577876    -15.51642626
  O     18.28343482     10.79954866    -16.25515431
  H     14.69448075      6.14903938    -13.13908041
  H     15.56410933      7.61195204    -14.34459695
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  H     16.28256287      8.43437939    -15.44162727
  O     13.54980358      6.83690043    -11.92749924
  H     18.19239192      7.92773479    -12.19799354
  H     13.12348856     11.96564574    -12.36659706
  O     16.22795975     10.26807427    -12.69034448
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  H     11.79162957     12.21526010    -11.64222502
  O     14.93804669      7.69250139    -17.88249929
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  H     17.71963834      6.38228321     -9.80915504
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  O     19.48538383      6.84953703    -15.25255490
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  O     15.67971959      8.50484257    -14.69219225
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  H     17.03779578      6.03376459    -13.26891632
  O     12.60935325     11.72825961    -11.57987843
  H     15.87268082      7.75043597    -17.64244418
  H     18.49178006      6.30932407    -13.73385880
  O     17.38539399      5.59936600    -10.26397504
  H     14.54667721      7.02122383    -17.31077192
  H     17.03711087      8.24879878     -8.98641302
  O     12.15705920      7.17348559    -14.39642337
  H     14.50934871      4.73774632     -9.22268191
  H     18.40509572      8.40204328     -8.27924024
  O     19.73352701      9.33722778    -14.23705725
  H     15.66603547      5.46202519     -9.95073262
  H     14.24800183      9.29411054    -17.92058392
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  H     18.15888061      7.59466583    -16.37271064
  H     13.45373362     10.39216485    -18.66719737
  O     18.00010541      8.16186332     -9.10796645
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  H     14.06158385      9.22654640    -15.00421035
          69
 Energy    -249.42504428118411     
  O     15.87718830     11.91841671    -16.21182843
  H     15.57406175     12.81811287    -16.30987132
  H     18.70135689      7.76251975    -17.71425653
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  H     13.42497131      4.79916393    -16.30549833
  H     15.72576784      8.28019847    -15.77070521
  O     18.61240788      5.84344573    -17.82142348
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  H     13.94816900     10.14046611    -13.97837168
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  H     13.80394232      9.78456970    -15.46514724
  O     14.35861782      8.23674504     -9.79017152
  H     19.24967709      7.49160266    -12.34556415
  H     15.89786935      3.56600821     -9.70606931
  O     14.54779196      6.32912412    -13.41851247
  H     19.24923757      5.19219594    -18.10358231
  H     15.12584308      4.72486140    -10.38299994
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  H     14.15549277      8.36417398    -17.44172937
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  H     13.78897095      7.35481340    -16.32546714
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  H     16.78163582      4.83047418    -11.87244065
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  O     16.01407071      4.35866028    -10.22213154
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  H     16.65197799      6.11518928     -9.64837540
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  H     16.34361154     10.90572668    -17.72116196
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  H     17.37438555      9.86137109    -18.21751283
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  H     14.17781072      8.84594373    -11.54765545
  O     16.80233646      7.06380520     -9.55979915
  H     13.74439235      6.50436003    -10.39431717
  H     14.27711656      8.08600753    -12.88958064
  O     16.56840849     10.33285026    -18.46576788
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  H     18.73660145     11.04142376    -14.73907631
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  H     20.91869764     10.28641791    -15.86041468
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  O     17.97832057     11.47844149    -14.33179437
  H     19.64473593      9.51069550    -16.26541678
  H     14.43484026      8.56146737    -19.98702046
  O     14.86102468      8.36879340    -19.15641854
  H     17.83733199      8.57449032    -16.72626316
  H     15.47302079      9.10516443    -18.97623487
          69
 Energy    -249.42498581843543     
  O      2.96006361     -3.21566887     -2.13430845
  H      2.74605725     -2.63390561     -2.87239038
  H     -0.17821597     -6.59208033     -0.87487162
  O     -3.06344580     -2.12553972     -0.31156530
  H      3.23905134     -2.66311970     -1.38423046
  H      1.85111084     -6.17667414     -1.62226761
  O     -0.85126782     -0.69606640      2.19963727
  H     -3.35403648     -2.63443425     -1.08492660
  H      2.87225638     -5.00293304     -1.66608165
  O      3.00349721      0.62808903      1.66171630
  H     -2.39925455     -2.64951496      0.14822029
  H     -3.51414872     -2.71578116     -3.41810269
  O      0.36360665     -2.83137035     -1.26088219
  H     -1.77683731     -0.42890208      2.16419332
  H     -2.74063440     -3.89532468     -2.81168324
  O      1.95441990     -3.41959315      2.07284169
  H     -0.37841708     -0.13104749      1.56901727
  H      0.61260729      0.58933150     -0.46672136
  O     -2.13903453      1.82068197     -0.20825777
  H      3.66659319      1.18329166      2.06278982
  H      1.39053460      0.99056888      0.81405133
  O     -0.44678286     -2.57747740     -4.89926845
  H      2.60659953      0.10112858      2.37863019
  H     -0.57723510     -3.89836731     -2.36544300
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  H      1.26164272     -3.12575876     -1.46164115
  H     -0.71609985     -5.39780834     -2.70003299
  O      2.48702246     -6.07165203      1.42676970
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  H      1.08786146     -1.88281214     -4.49869322
  O     -0.78089205     -3.24658635      1.13462106
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  H      2.37242880     -1.14245930     -4.94423455
  O      0.01773059     -6.83096175     -1.79869985
  H      1.02378698     -3.40866660      1.82004891
  H      0.58413768     -6.12316918      1.14999408
  O      2.68503496     -5.85867965     -1.25706270
  H     -1.21902751      1.72796278      0.07383835
  H     -0.62366212     -5.16902091      1.01295035
  O     -3.53159654     -3.34987671     -2.69256634
  H     -2.66726301      1.34818837      0.44707773
  H     -2.49545225     -0.82862096     -1.56874240
  O      0.50837035      0.95374661      0.42444481
  H     -1.27995535     -2.09221247     -4.92264517
  H     -2.28454628      0.70154341     -1.60639885
  O     -1.01344419     -4.52037102     -2.96712274
  H     -0.62218001     -3.37061010     -4.37457919
  H     -3.50856502     -0.66307641     -5.09790511
  O      1.90368722     -1.45770984     -4.17604652
  H     -4.38392523     -0.09255329      1.88233341
  H     -2.73552978     -0.70700361     -3.76019793
  O     -0.31138009     -6.05487835      0.79392121
  H     -3.48881755     -0.80397730      0.84211663
  H     -0.42655795     -0.11497523     -2.31564042
  O     -2.26659350     -0.09600347     -2.15598164
  H      3.06982511     -6.74912751      1.75773984
  H      1.00553349     -0.47485000     -2.86370860
  O     -2.93841439     -1.21235080     -4.56585428
  H      2.64380901     -6.00601558      0.46671133
  H      0.76329403     -0.84313713      3.25111612
  O      0.51148224     -0.18320818     -2.08754611
  H     -0.82366890     -2.38832160      1.58211395
  H      1.90225211     -1.87019771      3.15066926
  O      1.70153705     -0.97026434      3.44216239
  H     -0.34225229     -3.10942163      0.27652335
  H      2.94300513     -2.39547444      0.83327164
  O      3.37640603     -1.83352840      0.17698098
  H     -0.19019550     -7.75687711     -1.89340204
  H      3.35735922     -0.94547393      0.54761400
          69
 Energy    -249.42451081553560     
  O     14.12377528      5.22322571    -17.31315901
  H     14.07706592      6.19628871    -17.28498847
  H     15.49783421      4.97656265    -14.51964781
  O     13.47978612      6.68227829    -11.46940653
  H     14.03976779      4.96756533    -18.22740955
  H     15.14289934      6.80111633    -10.69814305
  O     18.00608719      5.17221318    -10.19391092
  H     13.70844744      7.23698003    -12.23524362
  H     15.96468192      7.87729662     -9.92471716
  O     12.44093260      4.61636055    -15.07316711
  H     12.51618939      6.57490753    -11.48823734
  H     14.83077958      8.17210379    -14.08649334
  O     11.42379766     10.70198461    -13.52320775
  H     17.29959973      5.84076943    -10.19754479
  H     14.09916263      9.23143347    -13.19676721
  O     14.09705776      7.91151550    -17.01790530
  H     18.26844178      5.05428492     -9.28462216
  H     10.57447664      6.61847354    -12.73105434
  O     15.66659866      9.54262592     -9.35413203
  H     12.95216679      4.75544289    -15.87903992
  H     10.52729678      7.71197076    -11.63711831
  O     19.28608651      6.21121546    -12.54738416
  H     13.08167676      4.45387555    -14.36893880
  H      9.57610762     10.05309895    -11.00834030
  O     11.93483208      8.52401316    -15.26845530
  H     11.51073345     10.06886097    -14.24834157
  H     10.66566623     10.01409945    -12.10729244
  O     16.77911518      3.46548433    -12.11154222
  H     12.31965028     10.96785841    -13.28184586
  H     15.19432367      4.07371762    -12.66999996
  O     18.43974154      4.16237128    -14.36203932
  H     14.86587571      8.14935279    -16.48659054
  H     14.11275958      5.17870196    -12.46274496
  O     16.05358708      5.14901545    -15.29497864
  H     13.31544110      8.22364639    -16.54228938
  H     11.08705994      5.63537436    -14.75584500
  O     16.03486680      7.05164695    -10.42721825
  H     16.06671130     10.10271806    -10.03042441
  H      9.57223730      5.89382758    -14.93496852
  O     14.05837821      8.32352370    -13.52675964
  H     14.71014201      9.61483273     -9.47081111
  H     13.13819444      8.40539247    -10.53699404
  O     10.80058723      6.80283107    -11.81051641
  H     19.01193988      5.82468660    -11.70557575
  H     12.03687668      9.47381891    -10.44650853
  O     10.36328413      9.59115735    -11.28370760
  H     19.10770725      5.53480046    -13.21246938
  H     16.80986284      8.11608171    -14.29132995
  O     14.46529693      4.54773098    -13.09938656
  H     11.30574158      7.80637872    -15.12383137
  H     16.30222664      6.96427840    -15.19367734
  O     10.37111498      6.27255921    -14.57788505
  H     12.64586242      8.38716721    -14.62237561
  H     14.99555182     10.98196747    -12.20751009
  O     12.97426712      9.31804879    -10.27067688
  H     17.40521343      3.53758280    -12.84216125
  H     13.69046821     10.42315200    -11.58047236
  O     16.28004002      7.92513098    -15.07744824
  H     17.18911315      3.93870643    -11.37689162
  H     17.13132373      9.94860185    -12.06460922
  O     14.05669527     10.83531218    -12.37733081
  H     17.63944883      4.50269893    -14.79587352
  H     17.52400734     11.41471447    -11.77644594
  O     16.80170199     10.79415730    -11.71716807
  H     18.89794727      3.63054138    -15.00788253
  H     18.23711897      7.65735192    -12.62524640
  O     17.47502200      8.25151429    -12.55408205
  H     15.48373282      5.07113829    -16.07023334
  H     16.89487646      7.84210001    -11.89798532
          69
 Energy    -249.42448378967089     
  O     16.87162739      9.79183661    -15.04118644
  H     17.54976496      9.10488969    -15.11543568
  H     17.31994807      3.33889470    -14.60073888
  O     14.72457010      7.43345743     -9.06558976
  H     16.05888880      9.44313223    -15.43036483
  H     15.64222275      7.94945613    -11.96225606
  O     12.67292814      9.01830570    -10.27973109
  H     14.72492980      6.91974762     -8.26275445
  H     15.29295789      7.00762761    -10.78162920
  O     14.49077845      8.66238500    -15.82942300
  H     15.19430200      8.26451987     -8.86886741
  H     17.74741157      5.36722948    -16.16628949
  O     18.89725377      7.91635710    -14.98538637
  H     13.27232916      8.39083006     -9.85905131
  H     18.32509887      6.77781918    -16.32262045
  O     20.62942157      9.77685472    -13.79478996
  H     12.95676729      9.89340230     -9.98808180
  H     17.59855674     13.50844452    -11.42268569
  O     17.99814196      6.36255295    -12.86598794
  H     14.71577249      8.08138851    -16.56710875
  H     17.55866270     11.96413542    -11.39296896
  O     11.76147608      8.79345016    -12.80744192
  H     14.23159091      8.07868506    -15.10190684
  H     16.27573399      6.52199244    -17.42162396
  O     13.29791327     10.75228622    -14.22685344
  H     19.61178619      8.48565810    -14.67571918
  H     15.27166128      6.55737901    -18.59751751
  O     14.50149836     12.06000124    -12.15516765
  H     18.60084930      7.39075161    -14.22664112
  H     16.26002852      9.66111486    -13.36298385
  O     13.76172568     11.55258967     -9.59513502
  H     20.00436337     10.51628218    -13.90034329
  H     15.22747998     10.28452510    -12.38170966
  O     17.23979394      4.28818314    -14.64163637
  H     21.49595155     10.11559390    -14.00204907
  H     18.02771380     11.15213735    -14.58805953
  O     15.54529777      7.01534550    -11.71220985
  H     17.83451918      5.57567120    -13.40226941
  H     18.27533083     12.15184201    -13.44406090
  O     17.84930163      6.08599253    -16.80219878
  H     17.16453312      6.54538532    -12.41025263
  H     17.11510522     10.03934779    -11.28567003
  O     17.29531488     12.74549938    -11.90936366
  H     12.05820550      8.86578532    -11.88244035
  H     18.53682083      9.71291265    -10.80849797
  O     15.34849023      6.70427020    -17.65874615
  H     10.81096826      8.71895674    -12.78683129
  H     14.28879850      6.87206288    -13.02043771
  O     15.88386256      9.58646076    -12.47461536
  H     13.68773535     10.21156121    -14.92329014
  H     12.92677795      7.48362730    -13.44383657
  O     18.71697796     11.67820403    -14.15733950
  H     12.69286238     10.16124465    -13.75948271
  H     19.16069024      7.62924223    -11.85241603
  O     17.80824702     10.33496167    -10.67439341
  H     14.09789667     11.79275648    -12.99593280
  H     20.04488740      8.83562086    -12.23542020
  O     13.66160092      6.94078771    -13.75425767
  H     15.39467134     12.39437933    -12.29979154
  H     16.64474917     10.04528494     -9.24592890
  O     19.59494328      8.41165996    -11.49328360
  H     13.99263670     11.80004939    -10.50747835
  H     15.20947544     10.51381928     -8.90753919
  O     15.87807825      9.85254011     -8.68999009
  H     13.32345875     12.30541978     -9.20710956
  H     14.81861256      5.46918601    -16.25775071
  O     14.73039554      4.97666446    -15.43293031
  H     16.31215099      4.48063985    -14.86881189
  H     14.24393218      5.55752912    -14.83218974
          69
 Energy    -249.42425462596191     
  O     13.35724123     11.72442638     -8.74104639
  H     13.44360465     11.76417253     -7.79243125
  H     11.18833986     13.55491010    -13.59482456
  O     10.97424990     10.67671692    -15.37773816
  H     13.99652255     12.36155951     -9.10965336
  H     16.06469299     13.56556275    -16.11151582
  O     14.14911918      9.44284325    -10.30080873
  H     11.49254706     10.80584819    -16.18236952
  H     17.15461716     13.55616087    -17.21135467
  O     18.06585410     13.41529991    -13.83466998
  H     10.82700479     11.55502162    -14.99827885
  H     13.07320603     13.27893384    -12.64957645
  O     11.24394191     12.07679130    -10.56038789
  H     13.96923890     10.17892663     -9.70419515
  H     12.92048723     14.63846125    -11.92888446
  O     11.58667378      9.40071067    -11.46093418
  H     13.28910673      9.20318480    -10.66908220
  H     12.25627810     13.04293989    -16.91923919
  O     13.04905459      9.76089215    -13.79347050
  H     19.00633828     13.56242021    -13.90471435
  H     11.43396684     13.76850185    -15.82911242
  O     14.30049579     15.75355368    -11.29907669
  H     17.74030101     13.26785198    -14.73691308
  H     13.89264997     11.34458299    -13.56080789
  O      9.46466935      9.51339867    -13.23463858
  H     11.85419059     11.96140296     -9.82117359
  H     15.03509819     12.13872848    -12.84332426
  O     14.58106994     14.09707105    -15.37839572
  H     11.64678526     12.74597950    -11.13406549
  H     12.69335940     10.95647826    -18.37195138
  O     15.27239863     10.79124533    -16.61826140
  H     10.81488649      9.23388983    -12.02170708
  H     13.63943775     11.09065083    -17.15903737
  O     10.51636310     13.19201669    -14.19006032
  H     11.47889392     10.30347693    -11.13230748
  H     15.65158794      9.31870353    -11.17884584
  O     16.92475039     13.18250871    -16.36412885
  H     12.61854323      9.56455538    -12.95210459
  H     17.03086569      8.62929061    -11.26992520
  O     12.41935296     13.89517561    -12.28138513
  H     12.34460923     10.00375471    -14.40824949
  H     14.70172691      9.17623650    -14.25230714
  O     12.10190801     13.90559779    -16.51156350
  H     14.93762609     15.69896122    -12.03377446
  H     16.06903055      9.13643959    -13.57148305
  O     14.24708867     12.22708053    -13.39334073
  H     14.27777705     16.66581101    -11.02330363
  H     16.69147416     11.12770174    -11.79988989
  O     12.73667462     11.27494335    -17.47396175
  H      9.86747117      9.75269948    -14.07942677
  H     17.18571144     12.44486410    -12.50303505
  O     16.49960417      9.31881602    -11.65928981
  H      9.10967958     10.33717679    -12.87832695
  H      8.13946523     12.38913611    -11.58738567
  O     15.65179742      9.12416965    -14.43833551
  H     14.47152787     13.38705957    -14.72636367
  H      9.64745146     12.09132649    -11.44778958
  O     16.56768425     12.08536022    -11.85509269
  H     13.73166786     14.18622905    -15.83027541
  H     16.77296257     14.89553662    -13.41551219
  O      8.90783750     12.10597412    -12.07730344
  H     15.48033835     10.17138935    -15.90327393
  H     15.44236944     15.15461952    -14.13561859
  O     15.99072131     15.45558845    -13.39646600
  H     15.92479910     11.49482023    -16.56026876
  H     14.85767725     14.25240227    -10.27227576
  O     15.11821600     13.41705151     -9.86785371
  H      9.80007282     12.90735987    -13.61012959
  H     15.70073322     12.97662179    -10.50196226
          69
 Energy    -249.42374509282206     
  O     16.95827566     10.42636321    -14.79088989
  H     17.52815825     10.84017706    -14.13207558
  H     15.21768144     10.67182536    -14.41988028
  O     18.76226968      8.63541267    -11.87081784
  H     17.30669506      9.53344011    -14.90031789
  H     15.99166920      8.70549814    -11.03604444
  O     15.60575498     10.95856282     -8.99480026
  H     18.02776385      8.64691368    -11.23818991
  H     16.30761890      9.42034093     -9.69555619
  O     11.96013157      9.25240921    -13.91816268
  H     19.35238045      7.92308866    -11.59747257
  H     14.68642555      9.39211436    -12.87131083
  O     17.80923864      3.35682093    -12.58266856
  H     15.49708730     11.25568386     -8.09563866
  H     15.14267487      7.92473447    -13.06341345
  O     12.67207171      6.68610359    -14.99436753
  H     14.72791229     11.01082464     -9.41648281
  H     12.59743586      5.89997056    -11.99104965
  O     15.52290334      6.11583959    -10.00857164
  H     12.15782229      8.40277321    -14.32880101
  H     13.46400845      4.80914986    -12.63290175
  O     13.27131946     11.21496736    -10.32922518
  H     12.72140923      9.82115882    -14.10028214
  H     19.44883082      5.84328986    -10.67881797
  O     19.30370352      5.35290036    -13.64529353
  H     18.12263128      2.50517817    -12.87372966
  H     20.95837826      6.17229585    -10.59401601
  O     16.59241054     12.53339990    -11.18699909
  H     18.34159501      4.02888258    -13.04577482
  H     15.41835625      5.89846941    -13.71955851
  O     14.20959625     12.97792691    -12.37297136
  H     12.18712882      6.26835555    -15.70131310
  H     14.53850486      6.69960549    -14.72207681
  O     14.32515203     10.73549741    -14.04700770
  H     12.55345906      6.13052267    -14.20249951
  H     18.79715985     10.34221461    -12.35015986
  O     16.57081227      8.67991144    -10.25476195
  H     15.98607157      6.96641877     -9.98682314
  H     19.55294348     11.61100699    -12.80541865
  O     14.93532898      8.59036721    -12.39513329
  H     14.58593759      6.34823568    -10.03427892
  H     18.14933604      8.03791300    -13.56871054
  O     12.60311002      5.24257686    -12.70048582
  H     12.57354453     10.62039164    -10.62786414
  H     17.08331029      7.34310740    -14.47901015
  O     20.16737575      6.35346311    -11.09423071
  H     13.43156685     11.84226376    -11.04517768
  H     17.98317213      4.21655288    -10.87220729
  O     15.41539618      6.65809584    -14.32074313
  H     18.91764062      6.11623335    -14.09313734
  H     17.22777682      5.19038340     -9.94082161
  O     18.68075120     11.26541285    -12.63060458
  H     19.74879229      5.70023887    -12.86242318
  H     10.33171057      9.57013604    -11.22759401
  O     17.96935925      7.73565925    -14.47011328
  H     17.33182878     12.11219501    -11.64214918
  H     11.47446895      9.36486508    -12.24882106
  O     18.10494792      4.85077760    -10.15384224
  H     16.41158427     12.01393305    -10.39436856
  H     16.13064277      4.09281544    -12.51515433
  O     11.27189850      9.42880136    -11.29758381
  H     15.09710267     12.89360664    -11.97824996
  H     15.44650177      5.13024743    -11.58144063
  O     15.34968413      4.65112590    -12.41647050
  H     14.06092086     13.90670192    -12.52655902
  H     13.69662392      7.72940412    -11.37298409
  O     13.04622180      7.28285794    -10.80859078
  H     14.26711565     11.56792718    -13.56191843
  H     12.31249024      7.90552042    -10.75691047
          69
 Energy    -249.42310098666781     
  O     16.92650397     10.22955372    -14.10349149
  H     17.50525206      9.53315756    -14.43622840
  H     15.37424102      3.51473287    -11.86313763
  O     15.00290897      4.59568108    -16.36788796
  H     17.02187688     10.26356714    -13.13817078
  H     14.18841336      4.45834791    -13.35352986
  O     12.51424352      7.58060086    -12.56217952
  H     15.16524044      4.00465324    -17.09847646
  H     15.14667690      4.24177318    -14.55074738
  O     13.51071430      5.77705534     -8.84971669
  H     15.46538298      5.42785166    -16.57262158
  H     13.75824918      9.24006437    -10.20126533
  O     12.39102499      5.56773776    -15.67760299
  H     11.82145226      8.11841857    -12.97364936
  H     13.15585076      8.02056308    -10.93994020
  O     14.87006897     11.50349209    -15.56031687
  H     13.32709280      7.76858760    -13.05107490
  H     15.45701316      9.16990401    -13.92050329
  O     16.20992115      6.96117271    -16.87859419
  H     13.47095409      6.69063483     -9.16057102
  H     15.36055967      7.66127310    -13.66707908
  O     14.12488453     11.02549669    -10.74308304
  H     14.44817922      5.56861988     -8.75387604
  H     17.74266998      7.28813783    -14.28634647
  O     16.28955472      5.04858984     -9.05811850
  H     13.23811366      5.22230479    -15.98326698
  H     19.10977531      7.55897984    -14.95891678
  O     14.19376242      8.88944869    -16.56990857
  H     12.27068175      5.22840088    -14.78224565
  H     11.12009617      8.95873424    -14.91025083
  O     12.51632105      3.74152479    -10.34935272
  H     15.70793081     11.25372657    -15.14559891
  H     11.58802199     10.05054564    -13.91188638
  O     15.30046530      3.33563145    -10.91737098
  H     14.63321782     10.75911573    -16.12809350
  H     12.36287109      4.40994414    -12.08000965
  O     15.10827102      4.26134439    -13.58616339
  H     15.56003002      7.67291623    -16.95529653
  H     12.41094862      5.81218793    -12.73794643
  O     13.66282948      8.28146115    -10.15668942
  H     16.93755925      7.30629038    -16.34953595
  H     11.79260886      7.11054838    -16.21653120
  O     14.82195906      8.43997663    -13.85894149
  H     13.78959237     11.09139930    -11.65253811
  H     10.86122389      7.87894444    -17.18372683
  O     18.19285607      7.82276650    -14.96338453
  H     13.88700172     11.83883901    -10.30439859
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  H     16.86382538      4.59464025     -8.44762825
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  H     16.58160754      6.76762107    -12.21075282
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  H     14.37726897      8.66440895    -15.64629537
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  H     11.89511454      3.22594480     -9.84213318
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  H     14.35370272      3.31062194    -10.72830059
  H     16.42257539      6.63987087     -9.98313168
          69
 Energy    -249.42279581400166     
  O     21.07335161     12.13447979    -18.63351209
  H     21.46966067     12.87077919    -18.13220006
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  H     16.31990437     17.39549550    -15.65019214
  H     20.23466950     16.78371373    -13.97350666
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  H     18.66982328     12.52084151    -13.02296365
  O     15.91802771      9.69583665    -15.79805033
  H     12.97998728     13.79808219    -14.39739961
  H     18.04545668     11.46084084    -12.09736077
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  H     14.26163746     14.49557777    -13.87959470
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  H     16.58992595     10.95373546    -17.01344708
  H     19.04182992      9.71902561    -15.30469943
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  H     16.87729955     16.57378060    -17.94859760
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  H     15.95689973     15.74017988    -17.05270913
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  H     18.46371716      9.47149036    -12.96203994
  H     18.10483960     16.16091182    -12.60055102
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  H     15.16568829      9.11115654    -15.81466295
  H     17.76673044     17.18882208    -13.73137837
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  H     15.77042301     10.32747076    -15.06889603
  H     17.24397675     14.86644144    -10.58697687
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  H     17.47385657     13.97198653    -11.82366753
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  H     21.30775785     14.88224765    -17.21474102
  H     20.17846266     11.34900883    -17.19908797
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  H     19.29297810     15.53942534    -16.46615545
  H     18.69441803     11.35699307    -16.77251714
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  H     18.84111287     13.95618120    -14.93407897
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  H     18.30720300     15.36198911    -14.56106561
  O     19.58737217     11.14103787    -16.46588500
  H     15.41081512     16.50565934    -13.64621613
  H     18.27475259     15.05636956    -19.25712675
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  H     20.81540881     13.17907003    -14.24158738
  H     18.21234454     16.31519627    -20.15074449
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  H     19.92990781     12.13757874    -15.01656101
  H     15.16519908     13.89095626    -15.76022866
  O     15.86572828     14.01316399    -16.41150385
  H     19.40316205     12.94060507    -19.12243065
  H     16.68346741     14.22999991    -15.93283267
          69
 Energy    -249.42237199589238     
  O     -0.88706986     -0.51093925      4.93188299
  H     -0.37592502      0.30870961      4.89347645
  H      3.29944606     -1.83843880      2.24576916
  O     -1.01084170      3.35834686      6.66834320
  H     -0.59127171     -1.07592687      4.20491782
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  H     -0.70382495      3.95311987      7.34790878
  H      2.00004956      2.97242659      0.10044271
  O     -5.45281058     -1.26905688      4.09887802
  H     -1.65594302      2.76407123      7.08870206
  H      0.02546941      2.89618553      1.75493347
  O     -3.99555636     -3.24911379      5.51159197
  H     -5.85383614     -1.06161185      2.29548658
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  O     -0.22656210     -1.99250854      2.69330118
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  O     -2.62000766     -3.42152292      3.18075731
  H     -4.63214034     -0.82500454      3.82875249
  H      1.67785139     -0.63506216      0.55979134
  O     -2.86096086     -0.95427221      6.78508619
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  H     -1.98264816      3.91580776      5.11602516
  O     -2.87453732      1.67634908      7.74407655
  H     -3.46945383     -3.35254264      4.69745455
  H     -1.87217306      3.82324833      3.57694157
  O     -5.11441280      0.71144950      6.09831005
  H     -4.17072108     -4.12799996      5.83688159
  H      2.34413389      1.68282899      2.33676984
  O     -1.45823805     -0.98821259      0.36327514
  H     -0.64483123     -1.60992520      1.90903016
  H      1.91592291      1.39707829      3.78581729
  O      2.45484728     -1.40646059      2.15387498
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  H     -3.55747891      1.01181458      3.78981699
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  H     -2.38864886     -0.01122571      4.03187810
  O     -0.76504290      2.92138186      2.30904423
  H     -3.06790666     -3.19968071      2.35558362
  H     -4.12434296     -3.23126316      0.05369634
  O      1.18182024     -0.09336391     -0.06635291
  H     -3.26822501     -1.78256518      6.50533977
  H     -4.46092554     -1.96178674      0.86614613
  O     -2.48017143      4.03209421      4.29796690
  H     -2.08403685     -0.84253311      6.21605631
  H     -4.92890242      2.05126921      4.82904458
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  H     -3.78995724      1.78488452      7.47009073
  H     -3.97723412      3.11883788      4.15888493
  O     -3.14988089      0.19265593      3.47549636
  H     -2.70681688      0.72849060      7.64212319
  H     -6.09988142      2.66985065      1.09783740
  O     -3.75211822     -2.59632405      0.66070802
  H     -5.56913734      0.11188419      5.49283079
  H     -5.26572525      2.23234714      2.32139157
  O     -4.69451940      2.48552711      3.99838448
  H     -4.32572495      0.21168478      6.35414885
  H      0.00534453      2.44553812      5.40717658
  O     -5.46018273      2.02590840      1.39079045
  H     -2.19820537     -1.60830394      0.34548783
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  H     -1.85508639     -0.11106347      0.46423871
  H     -2.82236211      0.83293909      1.88983609
  O     -2.72477325      1.35541131      1.07446236
  H      2.54268071     -0.52452212      2.55877114
  H     -3.60623511      1.70375043      0.90359734
          69
 Energy    -249.42209874944817     
  O     -5.43995936      4.09037988     -1.14963232
  H     -6.28900663      3.65328577     -1.01650268
  H     -5.31844459      2.17547921      3.39878990
  O     -4.11179723      2.70184550     -3.09732348
  H     -5.19734091      4.46455518     -0.29387077
  H     -3.44451841      1.39404809      4.28910082
  O     -4.94026554      4.96773135      1.50349062
  H     -4.49207984      3.26493210     -2.39895346
  H     -4.38160165      1.02549298      5.46753452
  O     -4.37724142     -1.00253263      2.60235981
  H     -4.15587542      3.20656303     -3.90523013
  H      0.43702284      0.25740679      1.50761218
  O     -2.71199679     -1.59021182     -1.31226667
  H     -5.31895487      5.73878170      1.91901031
  H     -0.95742521     -0.32314126      1.83752850
  O     -5.63854361      0.80860923     -1.70345708
  H     -5.27639060      4.19441221      1.98934677
  H     -1.23632496      1.58164876      0.82702134
  O     -6.84166870     -1.59281184      1.39525394
  H     -5.27297800     -1.25579513      2.34483648
  H     -2.71644432      1.80749092      0.42672685
  O     -5.49600730     -1.84978921     -0.94158095
  H     -4.43184127     -0.37907800      3.33863214
  H      0.96731039     -2.12206633      0.53033068
  O     -1.99159764      0.98874326     -2.22958049
  H     -2.54096186     -0.70246987     -1.65536071
  H     -0.41551637     -2.64390442      0.96368987
  O     -2.01253591     -1.72718124      1.39045965
  H     -2.02623419     -2.16531037     -1.67529215
  H      2.64076384     -0.10911279      0.20946282
  O     -0.42786147     -3.03745980     -2.09105384
  H     -5.16806625      0.90060360     -0.85816301
  H      1.33070675     -0.27020325     -0.59630935
  O     -5.75203959      2.65138162      2.67967356
  H     -5.14189493      1.32927032     -2.34569791
  H     -8.48211649      2.34469181     -1.55583452
  O     -4.33289215      1.05768495      4.51635261
  H     -6.38084154     -1.74761337      0.55069333
  H     -7.09521243      1.71812953     -1.27683291
  O     -0.38708532      0.44851889      1.97190146
  H     -7.42279617     -2.33699277      1.53034801
  H     -2.02063509      2.84216047      3.29319576
  O     -1.80979040      2.09694311      0.24273146
  H     -5.69629491     -1.00835907     -1.37452007
  H     -1.30898696      1.46811480      3.29355280
  O      0.39212005     -2.89675274      0.49527235
  H     -4.54128647     -1.94806841     -1.05002604
  H     -7.51132572      0.20939685      1.54186395
  O      1.72293213     -0.35375655      0.29116240
  H     -1.82359762      1.42818454     -1.38017946
  H     -7.88618591      1.51708303      0.79487586
  O     -7.76681107      2.32751169     -0.92428776
  H     -2.63204697      1.54810604     -2.68062811
  H     -4.26914570      0.32145274      1.26372908
  O     -1.95187312      2.00383227      3.77329471
  H     -2.81549577     -1.62041228      1.91680759
  H     -4.83474842      1.75106813      1.31152800
  O     -7.76502050      1.13130702      1.67184477
  H     -2.27715001     -1.65849850      0.46178207
  H     -1.99062955      3.64069503      1.32693428
  O     -4.36147455      1.12965379      0.74397688
  H     -0.20626805     -3.85792125     -2.52202528
  H     -3.08604097      4.57138537      1.87410240
  O     -2.22075185      4.20136634      2.08029323
  H     -0.09411984     -3.09766604     -1.17746261
  H     -0.27802667      0.19829505     -2.31151955
  O      0.51778777     -0.32652570     -2.15604795
  H     -6.54621191      2.15383243      2.42841483
  H      0.25935267     -1.24552901     -2.29885858
          69
 Energy    -249.42201904396842     
  O     13.07383190      3.98818409    -12.63974041
  H     12.32668264      3.37867995    -12.60661009
  H      9.87846721      4.03143027    -12.32432563
  O     13.87235695      4.50789302    -10.07602859
  H     12.71144006      4.84226642    -12.91142413
  H      8.80863620      7.26879227     -9.28937526
  O      8.10963322      7.18590464    -13.13552806
  H     13.71579804      4.25836924    -10.99868699
  H      8.20052036      8.59439722     -9.80987421
  O     15.21657161      6.86509145     -9.55953107
  H     13.06725307      4.95890758     -9.77655629
  H     12.06117817      6.78067765     -9.71559478
  O     12.53117857      5.36669507     -6.57577289
  H      8.46292661      6.32982179    -12.86335892
  H     10.83439997      5.90209737     -9.32591494
  O     10.70948600      2.36590524    -12.30990236
  H      8.81235041      7.61035034    -13.64430162
  H      9.47309007      5.39297704     -4.71436882
  O     12.69348841      2.97565294     -8.05650044
  H     14.86663364      5.97662187     -9.74322207
  H      9.80500870      6.33273466     -5.89755761
  O     11.80569543      6.50832540    -12.96185653
  H     16.13874551      6.85131753     -9.80379384
  H     11.56180586      1.88266415     -9.17662079
  O     11.19088965      9.58462320     -9.55677509
  H     12.25708173      5.66428625     -7.45985554
  H     10.05422001      2.06841152     -9.12263033
  O      7.39116361      9.13801748    -11.39046671
  H     11.72726735      5.36557916     -6.04315014
  H     14.57124460      7.40111195     -7.83332039
  O      9.96483734     10.19932715    -12.06531299
  H     10.50915266      1.58839661    -12.82491408
  H     13.69410655      6.82112209     -6.70350820
  O      9.61074469      4.95310211    -12.22684551
  H     10.73326140      2.08440612    -11.37924161
  H      9.17993102      4.78909944     -9.01183309
  O      8.78313771      8.22573984     -9.13542500
  H     13.24582213      3.31475061     -8.77494411
  H      9.17397827      5.25918712    -10.51698258
  O     11.77109776      6.05255553     -9.15389961
  H     12.78582799      3.62933802     -7.35090302
  H     12.44919027      8.63775222    -10.43843952
  O      9.88554729      5.41705904     -5.57342299
  H     11.38572224      7.17061980    -13.52423293
  H     13.78103422      7.78567458    -10.44897500
  O     10.75146783      1.68443684     -9.66532728
  H     12.25449590      7.00207348    -12.26009283
  H      9.73144071      4.14914446     -6.96532405
  O     14.10903421      7.63547192     -7.02033929
  H     11.56182176      9.71149487     -8.67468834
  H     10.75579007      3.44694565     -7.87944587
  O      9.06702171      5.54838949     -9.59954053
  H     10.36639140      9.09122847     -9.42990676
  H     12.89763267      8.88179855     -6.95175513
  O     12.93253124      7.92763896    -10.88524034
  H      6.50278621      9.43508281    -11.56680877
  H     12.44777149     10.22439569     -6.33082361
  O      9.81034523      3.61251176     -7.76497813
  H      7.56763184      8.39838090    -11.99984894
  H     10.30061410      9.20177714    -13.47005145
  O     12.17520622      9.53388240     -6.92951384
  H      9.05272340      9.99394229    -11.82212535
  H     10.48782308      9.09378771    -15.00234008
  O     10.37214170      8.57405998    -14.21158927
  H     10.47127543     10.16273571    -11.24515033
  H     10.59798120      8.48178668     -6.57682262
  O      9.79828401      7.94544974     -6.52789953
  H     10.38634266      5.49070143    -12.44732007
  H      9.32344731      8.10177743     -7.35486635
          69
 Energy    -249.42194502321635     
  O      9.83817493      7.12051987    -10.60922379
  H      9.95728671      6.38852143     -9.99086284
  H     11.40752989      9.21865210    -13.32055147
  O     11.78881737      8.99194966    -10.27854802
  H      9.02330194      7.58639024    -10.38921838
  H     11.89097913      4.97985837    -11.86761144
  O     12.61483221      7.82156471    -13.89623845
  H     11.82377860      9.10717632     -9.32194056
  H     12.97667503      5.80250445    -11.18177898
  O      8.80016298      9.65806798     -7.73743717
  H     11.09589767      8.32825052    -10.42855235
  H     13.95654992      5.11253188     -7.27437504
  O      6.50371114      5.00100286    -11.91124538
  H     13.22439588      7.79680590    -14.62937244
  H     14.18628679      4.86014753     -5.76520553
  O      6.61071427      5.33094607     -7.64065542
  H     13.14253562      7.70528494    -13.08762054
  H      9.09752620      9.57466095    -12.84472545
  O     14.39871292      4.76680413     -8.94456598
  H      8.41085652      9.42527686     -8.59750274
  H      7.73961029     10.08345010    -13.38100444
  O     13.75906856      7.48871666    -11.42461326
  H      8.33370733     10.43150571     -7.42944977
  H     11.96155220      5.93046253     -6.52135344
  O     10.62873557      5.97624558    -13.01475436
  H      7.00354410      5.56912133    -12.52270481
  H     10.90312569      5.72278015     -7.63042413
  O      8.06043739      4.01290697     -9.71453815
  H      5.93819428      4.45416287    -12.45035581
  H      9.72886992      4.43180647     -9.36582103
  O     15.71481518      7.27133282     -9.46311933
  H      6.10496707      4.95468350     -6.92545444
  H     11.22094561      4.74694206     -9.79617521
  O     10.83135988      9.78716337    -12.79637682
  H      7.25890901      5.93476470     -7.23614063
  H      8.85827338      6.31705217    -13.53862868
  O     12.52048885      4.94988729    -11.13675090
  H     13.79416867      4.61587514     -9.67995854
  H      7.96806214      7.56461276    -13.35099187
  O     13.75855303      5.44806798     -6.38172880
  H     14.94676504      5.52121028     -9.19656727
  H      8.49760377      7.94693189     -6.90729173
  O      8.13723744      9.41519755    -12.82842733
  H     13.11989729      8.07048283    -10.98321756
  H      9.34821234      6.71625277     -6.53441734
  O     11.10956763      6.24806384     -6.84046615
  H     14.53855617      7.45258900    -10.85786722
  H     10.66366463      9.31624726     -7.52477526
  O     10.54870277      4.88852183     -9.11865753
  H     11.25665659      6.57669285    -13.43544384
  H     11.40619780      7.98841640     -7.28667609
  O      7.94068053      6.62072199    -13.54646232
  H     10.32601281      6.41336584    -12.20157107
  H      5.95906777      6.24581509    -10.61323165
  O      8.43785644      7.03392195     -6.60511397
  H      7.54629174      4.36737639     -8.97707322
  H      5.98909496      6.37152543     -9.07898520
  O     11.54404637      8.92115885     -7.51281411
  H      7.59076167      4.27965806    -10.51373867
  H      6.95663381      8.20422459    -10.02921226
  O      5.83717380      6.87411987     -9.88964899
  H     15.22851293      7.65031237     -8.70813382
  H      7.74818531      9.12308227    -11.02600260
  O      7.69197730      8.83355684    -10.10708776
  H     16.62977680      7.51416748     -9.35185143
  H     14.13114010      7.26726245     -6.85826011
  O     14.27403240      8.10219327     -7.32308464
  H     11.18301637      9.74362529    -11.89684516
  H     13.42061230      8.55223806     -7.33204976
          69
 Energy    -249.42191718571408     
  O      0.91453947      0.39150779      2.61401548
  H      1.14911941      1.30474134      2.81849951
  H     -2.59876946      3.11238008      0.66042831
  O     -3.21435360     -0.48318273     -3.29364058
  H      1.33546271      0.14278990      1.77743796
  H      0.78968570      3.54147265      1.48818615
  O     -0.39016421     -0.85928208      4.76867896
  H     -2.41433261      0.01164843     -3.07305763
  H     -0.52165552      3.84689613      0.74594534
  O     -4.61569875     -0.29153503     -0.91738567
  H     -2.97760246     -1.41277260     -3.18551539
  H     -3.50471654      1.05643235     -0.43451176
  O     -2.49037541     -3.14487205     -2.43678554
  H     -1.18812998     -0.31949229      4.81770233
  H     -2.08455081      1.40854595     -0.94414960
  O     -0.28549337     -1.90341116     -1.08862518
  H      0.16838020     -0.45780392      4.08763397
  H     -0.78016761      0.33035105      1.99106491
  O     -3.78831509     -2.22595585      4.04788128
  H     -4.29996870     -0.27385389     -1.83264023
  H     -2.01000121      0.67740595      1.06619258
  O      1.16236244      3.10527053      3.28198934
  H     -4.34100561     -1.14900209     -0.56605318
  H     -2.97521327     -2.81110361      0.49406459
  O     -0.89905330      0.66565021     -2.07042614
  H     -2.64385489     -3.98861437     -2.85505801
  H     -4.50494909     -2.96997185      0.64639791
  O     -5.32191208      1.50497749      3.57236506
  H     -3.03058314     -3.13315376     -1.62912994
  H      1.75033336      0.54898568     -0.45068736
  O     -2.87187068      0.52566906      4.21985751
  H     -0.86317658     -2.38676230     -1.69118236
  H      1.24064771     -0.90378248     -0.36773026
  O     -2.37747423      3.88262028      1.21127744
  H     -0.56594271     -2.17392974     -0.20191537
  H     -1.89955539      3.34799736      2.97045748
  O      0.41434090      3.66125517      0.60689809
  H     -2.95488992     -2.70957674      4.09703157
  H     -1.98321453      2.27062114      4.07441214
  O     -2.74964908      1.64016705     -0.28005627
  H     -3.57077607     -1.30381649      4.22508411
  H      2.01129003      2.66559897     -1.91475937
  O     -1.70191278      0.11541571      1.78568922
  H      1.65758542      3.55651165      3.95974702
  H      1.04410808      2.72805735     -0.70792154
  O     -3.80332019     -2.86010503     -0.00728655
  H      0.22735184      3.11382000      3.55932000
  H     -0.73912719     -4.02589951      4.55854866
  O      1.77777670     -0.24853569      0.09280870
  H     -0.67330263     -0.20342776     -1.70867990
  H     -0.80899834     -2.49284309      4.35613291
  O     -1.49048093      3.04871255      3.79330016
  H     -0.10822186      1.21324757     -1.99029465
  H     -1.57337078     -1.60570028      1.53812935
  O      1.37821385      2.15295432     -1.41963888
  H     -6.09685639      1.93615938      3.92198943
  H     -1.26027881     -2.96788244      2.20751805
  O     -1.15731309     -3.34603337      4.03804232
  H     -5.62482939      0.98423948      2.80896264
  H     -4.97334129     -2.62796348      2.84943679
  O     -1.43044366     -2.54920404      1.35681028
  H     -3.75448335      0.90872831      4.09485701
  H     -6.26637088     -3.40690768      2.50737354
  O     -5.60883512     -2.82426101      2.13704554
  H     -2.51126413      0.36111178      3.33259562
  H     -6.03824400     -1.00639772      1.72015195
  O     -6.08777279     -0.07366641      1.47811952
  H     -3.03601920      4.54785777      1.02767133
  H     -5.72280042     -0.01834885      0.58616947
          69
 Energy    -249.42173561933348     
  O     -2.87268992      4.16523629      4.02350750
  H     -2.91912066      3.73134004      4.88322757
  H      0.00795606     -1.26728726      1.94483787
  O     -2.49821203      2.68689536      1.72560790
  H     -2.00095087      4.58003547      3.99750914
  H     -3.30397623     -1.60227561      2.55482576
  O     -2.50354082      2.84261599      6.56478156
  H     -2.81210236      3.21017441      2.47746186
  H     -4.27815886     -2.79965263      2.57937546
  O      2.17537467     -2.26187489      0.06167199
  H     -1.55350745      2.87897897      1.65797374
  H     -2.28252184      1.20523630      5.74642647
  O      1.49449524      1.34894059     -1.56461490
  H     -2.75681977      3.11825622      7.44124711
  H     -1.02613466      0.58515722      5.07704928
  O     -0.82610619     -0.19214726     -1.07123543
  H     -1.54654263      3.00997287      6.47970308
  H      1.00916065     -2.62993214      3.47600897
  O     -2.89483079      0.13098700      2.66634818
  H      1.91714063     -2.48759373      0.96767152
  H      0.26147647     -3.29321644      2.25522815
  O      0.30831523      3.73205727     -1.16921601
  H      1.42723669     -2.52238621     -0.48598366
  H     -0.52393064     -3.25694501     -2.07356442
  O      3.36826703      0.15558143      0.22332562
  H      2.19761406      0.98559345     -1.01428497
  H     -0.60890932     -1.93525029     -1.27883334
  O     -1.85301094     -2.33576477      5.11315987
  H      0.75149694      0.73385502     -1.49827441
  H      0.51492531      2.36099440      5.70671595
  O     -1.15322501     -3.90894401      1.38230874
  H     -0.65031573     -0.27389244     -0.12089861
  H      0.16094043      3.81750776      5.31137706
  O     -0.38314861     -0.44310689      1.62557753
  H     -1.40564263      0.57554790     -1.17522029
  H      0.91425470      0.64709243      1.98800851
  O     -3.35301322     -2.57004779      2.62724398
  H     -2.87731739      1.00150341      2.24551858
  H      2.38985317      0.92892123      1.63883004
  O     -1.97233804      0.45119790      5.23112561
  H     -2.66433672      0.27333000      3.59653131
  H     -0.12408523     -2.29741169      5.26128736
  O      0.99242134     -2.70918071      2.51687678
  H      0.79474977      2.90900338     -1.36150216
  H      1.18474951     -2.64717653      6.01121073
  O     -0.37438354     -2.87662922     -1.21146295
  H      0.54951564      4.36006448     -1.84422152
  H      1.21258731      0.87752315      3.99573157
  O      0.13446903      3.18371285      6.04013577
  H      4.30692717      0.05592698      0.09019283
  H      0.96770377     -0.25293481      5.03467428
  O      1.67480536      1.20450511      2.22404361
  H      2.97811096     -0.73365948      0.13656252
  H      0.04686289      4.50648986      3.02568725
  O      0.83949210     -2.15080942      5.27374320
  H     -2.03413085     -1.40015512      5.28500706
  H      0.25033534      5.86424880      3.73565598
  O      0.81332735      0.68268604      4.85420905
  H     -2.36501235     -2.56915166      4.33132140
  H     -1.43727659      2.82912159     -1.19696888
  O     -0.11452370      4.99077634      3.85307393
  H     -1.01115736     -3.60762301      0.47584209
  H     -2.49167985      2.40524681     -0.16331154
  O     -2.16901584      2.21683507     -1.05428120
  H     -1.96096218     -3.48826122      1.70201479
  H      0.81273401      2.73305450      1.80686502
  O      0.23273227      3.48038645      1.60408693
  H     -1.24360558     -0.31305993      2.04178336
  H      0.29882708      3.65757207      0.65686209
          69
 Energy    -249.42158227868896     
  O     11.37123132     12.14071837    -12.14354693
  H     10.47439760     12.33014650    -11.88125056
  H     12.60891052      8.25814729    -13.77338454
  O     17.26585751     12.66798139    -13.35293089
  H     11.65286765     11.35728241    -11.63913768
  H     15.35585699      9.98015591    -13.24168315
  O     13.77976202      7.33847500    -10.25667492
  H     16.83037052     13.52627121    -13.36043116
  H     14.38206861     11.13784459    -13.65580471
  O     16.53556662      7.62921792    -10.59034462
  H     16.54182155     12.02052673    -13.31605104
  H     13.35276930      9.00557376    -15.91631395
  O     18.53680760      6.07216508    -11.68051316
  H     13.43094961      7.24582415    -11.15332085
  H     11.88297543      8.64150592    -16.22983700
  O     12.79165231     11.56731430    -14.49668234
  H     13.31116915      8.10433644     -9.91369191
  H     17.81939112     10.46457370    -10.22161499
  O     17.39217846      8.33187597    -15.30332341
  H     16.79725102      8.45681630    -10.16572020
  H     17.70856894     10.28081853     -8.68744147
  O     18.69698437     11.09865982    -11.51645460
  H     15.60961667      7.45856416    -10.36526893
  H     19.97271807      8.89104164    -13.70933481
  O     14.96568727      9.17519278    -16.53599327
  H     18.58431833      5.24692651    -11.20389476
  H     19.61235794     10.25884797    -14.32014957
  O     19.53567479      7.03459557    -14.04142910
  H     17.84899438      6.59262076    -11.23630147
  H     13.84949934     12.79546497    -15.36775563
  O     16.10747053     11.69903533    -17.22614677
  H     12.20042840     11.77031645    -13.76077744
  H     14.86213625     13.89712866    -14.99389647
  O     12.96433036      8.03577012    -12.90646266
  H     12.53748490     10.71228124    -14.86673645
  H     15.40967425     15.73067978    -13.23914270
  O     15.18548343     10.92796952    -13.16526298
  H     17.68678512      9.25492874    -15.31698230
  H     14.79903392     14.41858616    -12.70034434
  O     12.45048411      8.98811782    -15.54661030
  H     18.14126645      7.80339777    -15.00135235
  H     14.19104393     12.96748372    -10.97033104
  O     17.25719955     10.10552750     -9.50837979
  H     19.26799687     10.61470140    -12.12868040
  H     12.89508824     13.29971569    -11.71977584
  O     20.07385345      9.84113699    -13.58226879
  H     18.26300252     11.77761124    -12.04818240
  H     17.96540279     11.64934235    -14.70476443
  O     14.56740175     13.33831304    -15.72226802
  H     15.28581057     10.03620622    -16.83304617
  H     17.58254682     11.25947986    -16.13833673
  O     15.38566251     14.78847395    -13.38341989
  H     15.74484794      8.71225123    -16.20524341
  H     12.60755034      9.33398676    -11.59504941
  O     13.76182070     13.65621711    -11.49520728
  H     20.23543692      6.45369871    -14.32917155
  H     13.27985707     10.37312695    -10.64249541
  O     18.17170453     11.02077626    -15.41166009
  H     19.20332884      6.67844591    -13.20005907
  H     15.64535480     10.92215214    -10.02437119
  O     12.43326010      9.96834668    -10.88471334
  H     15.58128758     12.32589205    -16.69783244
  H     15.01300109     11.15635865    -11.41944163
  O     14.85968653     11.26180585    -10.46620064
  H     16.15892825     12.06033239    -18.10713576
  H     16.09571370      8.01707753    -12.32951061
  O     15.67031795      8.22924603    -13.16957902
  H     13.92729697      8.03152494    -13.02858748
  H     16.31789713      8.16499026    -13.88288864
          69
 Energy    -249.42155770659446     
  O     13.05413084      2.92465115    -11.73449847
  H     12.98795509      1.96412999    -11.66665979
  H     18.74177829      5.76997614    -15.21711618
  O     12.22249879      3.63640115    -14.30359733
  H     12.76832829      3.14897718    -12.63271350
  H     14.95356342      9.63494419    -10.36431311
  O     15.87985414      2.99295890    -11.78260661
  H     11.56069418      4.31046509    -14.11234112
  H     13.79810986     10.66433021    -10.39319691
  O     19.01559205      6.11498049    -11.73752053
  H     13.02097620      4.11511282    -14.57634423
  H     14.62944642      7.18553984    -12.59217195
  O     12.68020492      7.31353594    -14.89484309
  H     16.22269795      3.70994735    -11.23330947
  H     13.85347388      6.05585784    -11.85246504
  O     13.14394724      1.01755968    -14.76760785
  H     14.91511119      3.03747979    -11.73600567
  H     11.65722364      5.71160674    -11.86049647
  O     13.17633482      0.12380069    -12.02557510
  H     18.24941419      5.77269021    -11.25458176
  H     12.46015163      4.59031334    -11.14084602
  O     18.71999989      8.78137537    -11.42240626
  H     18.84475168      5.92630691    -12.66849288
  H     15.97039201      0.33911396    -16.04566440
  O     16.48350434      9.15278442     -9.73872108
  H     13.30938144      6.62772448    -15.15025018
  H     14.84415810      0.95784120    -15.18574101
  O     14.48927762      5.10546642    -14.79295193
  H     13.20098654      7.97722426    -14.41987304
  H      9.91615313      6.29359555    -13.69033805
  O     17.06231160      8.39089022    -13.73098028
  H     13.01771255      0.62825384    -13.89365581
  H     11.41399928      6.51276768    -14.01487551
  O     18.18058116      5.76337497    -14.44442320
  H     12.70640312      1.87863633    -14.74035911
  H     15.99520982      5.73468589    -11.20012091
  O     14.05695796      9.80265911    -10.70943791
  H     12.90764229     -0.67575740    -11.58195498
  H     16.38856158      5.73715475     -9.70258249
  O     14.68907107      6.27065148    -12.28721314
  H     14.14446990      0.07990545    -12.12583052
  H     16.44999936      3.31157445    -13.47723264
  O     12.25420208      5.53529685    -11.12119167
  H     19.56110141      9.22762545    -11.37357049
  H     16.50073993      2.58094703    -14.83764762
  O     15.81028785      0.91575441    -15.30345002
  H     18.90946135      7.82771348    -11.48077038
  H     16.02563724      1.16515937    -12.11698331
  O     10.79079792      5.96312779    -13.50495790
  H     16.38616035      8.35638612     -9.20325615
  H     15.98404226      0.36184144    -13.42776641
  O     16.61201142      5.34960162    -10.55688626
  H     17.27336668      9.03546975    -10.28109300
  H     13.39128668      8.21124572     -9.80275174
  O     16.68889013      3.42527760    -14.40985076
  H     14.57907784      5.51498231    -13.91814589
  H     12.80967754      6.77300468     -9.83484276
  O     15.85417477      0.28222928    -12.47532880
  H     15.24658315      4.51493631    -14.87305293
  H     14.82549174      6.96161308     -8.60016188
  O     13.28295934      7.40700915     -9.28061471
  H     17.62997601      8.62160110    -12.98537365
  H     15.71186930      6.65108832     -7.36967156
  O     15.73852394      6.77530848     -8.31434384
  H     17.34919453      7.51746074    -14.02003246
  H     14.27207231      9.29297977    -12.47969913
  O     14.39869931      8.84236545    -13.32393449
  H     17.69615741      4.92321681    -14.46931537
  H     15.34802451      8.81817166    -13.52586420
          69
 Energy    -249.42132854173224     
  O     15.37315830      9.73653103    -14.88527944
  H     16.21298448      9.49075345    -15.31339553
  H     16.54198193     12.42190512    -16.08808610
  O     19.65883858     14.43265459    -16.92923547
  H     14.71627251      9.11567800    -15.18831070
  H     17.99610465     10.19243141    -16.38959799
  O     20.25378232      8.70877692    -14.73636781
  H     20.06067268     14.71176367    -16.09110744
  H     18.56968877      9.01012246    -15.58631566
  O     18.90630384     14.35209317    -10.49468638
  H     20.13306126     14.89282484    -17.61713341
  H     16.18726374     13.35204170     -8.45119526
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  H     23.09688957     15.08178496    -12.50242976
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  H     18.64647995     14.50410621    -11.41461881
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  H     15.54094212     13.88448883    -14.58361970
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  H     14.93473927     15.28425669    -14.33097899
  H     15.94320928     10.20217840    -13.16977579
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  H     15.80746332     11.39413172    -12.17477630
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  H     18.57647904     11.00212181    -10.02275232
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  H     24.89690377     13.19991390    -12.83806995
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  H     20.42874604     15.16551939    -10.06662730
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  O     22.69262045     13.01248166    -10.01520245
  H     21.22113053     16.17090430     -9.20043370
  H     18.79270336     12.90636930    -16.67858321
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  H     20.64982624     10.92989782    -11.92307884
  H     17.29919223     14.74148933    -13.42855760
  O     18.19626385     14.52822611    -13.14646499
  H     15.44405317     11.60754053    -15.38373443
  H     18.30830417     13.57686395    -13.30629540
          69
 Energy    -249.42116632926491     
  O      3.44705056     -1.42185314     -1.36795115
  H      3.16967579     -0.92403125     -0.58825619
  H      0.73069582     -1.27802459      3.10894707
  O     -2.24129090     -3.61784753     -1.40085005
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  H     -2.83834853     -3.64115179     -2.14411548
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  H      2.95373807     -4.82098695     -1.75292869
  H      3.39545676     -3.67034891      2.54577432
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  H      2.66789926     -5.98727249     -2.73287726
  H      0.07400126     -6.50064268     -0.07224287
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  H     -1.42842821     -5.15113956      2.36574687
  H      1.32629256     -6.31765088     -0.97440741
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  H     -1.70882403     -4.81640360     -0.05950804
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  H     -0.35683869     -4.64105220      0.64794487
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  H      1.91800953     -6.78559714      1.18282043
  H     -0.13932544     -2.56318024      1.84822709
  O      3.39132849     -4.06457170      1.66617755
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  H      3.96758215     -8.55843343      0.11020187
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  H      4.23128022     -7.58487734     -4.11024354
  O     -1.12789038     -5.22996728      0.59125973
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  H      4.48878512     -7.07208671     -2.67109028
  O     -0.75727460     -2.25459246      2.53212914
  H     -0.59389369     -0.21645277     -0.53325901
  H      2.32754686     -3.96543212      4.32227675
  O      4.60174933     -8.20828359      0.76218967
  H      0.83038976     -0.40063375     -2.38459546
  H      3.46880652     -3.28056872      5.11180873
  O      3.79773219     -7.38110664     -3.28647293
  H      1.20738743     -0.26309076     -3.88335824
  H     -1.69728820     -1.47472279      1.07931755
  O      2.95190899     -3.21731456      4.31327544
  H      1.79807052     -3.50458620      0.89106643
  H     -2.16113542     -1.98739794     -0.29887343
  O     -1.94954261     -1.18621247      0.19250754
  H      0.88024988     -3.13660077     -0.33298776
  H      4.11803375     -4.00314754      0.04294585
  O      4.29800145     -3.96415895     -0.90729674
  H      2.12185556     -1.66679850      3.64157469
  H      4.11879237     -3.04843999     -1.16869138
          69
 Energy    -249.42106507249861     
  O     11.75622672     10.12616203    -11.06537369
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  H     14.69129459      6.57607014    -17.54976742
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  O     16.47838214      7.50261415     -9.75904347
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  H     14.50265080     10.75514230    -12.41117033
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  O     17.53449030      6.62796433    -13.52595951
  H     16.31360143      4.45618733    -11.47816682
  H     13.61268559     10.77341990    -16.59863991
  O     18.72363766      8.92762208    -10.52549130
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  H     13.75499178      7.84982419    -10.88864580
  O     13.15912985     10.01673089    -16.98744973
  H     17.20863863     10.06718601    -16.51165692
  H     13.15266009      9.17163394    -10.35974216
  O     13.92556000      8.59201240    -10.29314687
  H     17.70982802     10.67897536    -15.15679359
  H     13.57031889     11.60549609    -14.16398006
  O     13.09588847     11.14711848    -13.45877326
  H     14.37776794      5.05962189    -17.63025832
  H     12.67116294     10.38471536    -13.87811226
          69
 Energy    -249.42076693403618     
  O     13.57840643      3.63809310    -21.17680661
  H     13.15287899      4.00087696    -21.94884898
  H     12.62856332      7.10872178    -16.88372930
  O     14.41158551      5.65934281    -19.60514060
  H     13.84672083      4.39391290    -20.62252009
  H     12.77800072     -0.95362422    -17.58657213
  O     18.80083564      3.51923508    -15.54945707
  H     13.92610459      6.01515182    -18.85197697
  H     12.24558286      0.44866986    -17.94803634
  O     14.64419253      4.40141249    -13.25228150
  H     15.29648117      5.46041400    -19.26714946
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  H     18.94795364      2.94373005    -16.31371530
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  O     12.59075120      3.02849769    -14.33649520
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  H     16.35497059     -0.87658122    -16.83273444
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  H     11.74314559     -0.32937905    -14.17518715
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  H     12.30685770      0.07965775    -15.55391369
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  O     13.19714371      6.39274792    -17.15279916
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  H     12.57659468      3.25764237    -15.27622646
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  O     16.50719857      0.54410756    -17.79653694
  H     12.48458648      2.07060619    -14.30970117
  H     12.88466715      4.55280686    -17.13440226
  O     16.13962597     -1.70006618    -16.35628973
  H     14.48848763     -0.84639013    -19.47901364
  H     13.85416965      3.34988482    -16.98263195
  O     12.40768771      0.21091195    -14.59472491
  H     14.02914478      0.62685996    -19.60863512
  H     18.85607621      3.52053628    -20.98063456
  O     12.72774726      1.84126942    -19.16825351
  H     18.66642541      6.63113310    -15.95571214
  H     17.50535461      2.88182524    -20.58556287
  O     15.56352686      2.95600706    -16.91809789
  H     18.33507406      5.11935234    -15.89786221
  H     15.92103973      3.17895907    -13.83132299
  O     12.91510326      3.59274105    -17.04473528
  H     14.78171294     -2.13213797    -17.49770311
  H     16.08237846      1.68120233    -14.23792490
  O     18.29671478      3.32739611    -20.23311378
  H     13.93497710     -3.15246350    -18.29188873
  H     17.33315619      5.37711516    -17.77427999
  O     16.47736321      2.56231086    -14.32294689
  H     15.50387523     -0.57781813    -14.89253159
  H     17.44560969      4.45395735    -19.04300960
  O     16.83192947      4.92452467    -18.46431787
  H     14.26463992      0.13962784    -14.33218251
  H     15.69205853      1.30931920    -20.86329209
  O     16.02199013      2.16445341    -21.16450216
  H     13.94084749      6.37391987    -16.52307057
  H     15.23747080      2.72023259    -21.25225957
          69
 Energy    -249.42030639649661     
  O     17.00970392     10.02818322    -10.44982038
  H     16.92035278     10.86055923     -9.97306883
  H     12.80772636      8.37562221    -10.85362368
  O     13.96648096      4.89670852     -8.44812865
  H     16.64486153      9.34037010     -9.86803281
  H     13.05626359      8.52611690     -8.42630458
  O     16.70667514     12.16047598     -8.66465581
  H     13.24367666      4.96097755     -9.08395486
  H     13.59788083      7.92748004     -7.07781893
  O     12.00880869      5.29575529    -10.45986484
  H     14.77791141      4.99405206     -8.96542659
  H     19.35770630      4.39574146    -12.89387416
  O     16.29374836      8.68661168    -12.76194574
  H     16.53678309     13.09732659     -8.70764872
  H     18.91971072      5.32727294    -11.74146756
  O     19.43371488      8.67960757    -10.63356368
  H     16.04209780     11.78121370     -8.06034616
  H     17.11921975      5.61135719     -9.93828699
  O     20.50155131      9.00061756     -8.04377192
  H     12.45337087      5.40630174    -11.31929884
  H     15.97814462      5.59031587    -10.97438438
  O     18.91227323      5.98779370    -10.06436337
  H     11.18607678      4.84662532    -10.63480338
  H     19.25793377      8.29077854    -12.48618397
  O     13.26874563      5.87072016    -12.78871894
  H     16.46552170      9.23195684    -11.98060757
  H     18.97947057      7.01596875    -13.29556344
  O     15.04228561     10.97987727     -6.89323081
  H     17.16436181      8.51453592    -13.15018991
  H     16.91712883      8.86998858     -5.50055633
  O     13.52802278      8.71102916    -12.62858106
  H     18.63685526      9.22661635    -10.57698259
  H     17.06561254      9.69109706     -4.19767273
  O     12.43540569      8.08991029    -10.01167468
  H     19.91963674      8.82106048     -9.81166980
  H     15.09398517      8.30715990     -8.55846465
  O     13.57489797      8.71894633     -7.62859824
  H     19.88306464      9.67594592     -7.71180038
  H     15.91562635      7.21697869     -9.33553174
  O     18.80407636      5.14489403    -12.68939473
  H     21.37457664      9.26977387     -7.77012046
  H     18.13305671     11.33359687     -7.68743534
  O     16.15801091      5.55877590    -10.02595801
  H     19.04526884      6.90997717    -10.32760931
  H     18.18156254     10.51451831     -6.38347655
  O     18.89684008      7.97585200    -13.32675329
  H     19.09946078      5.96259694     -9.11492740
  H     13.61459786      5.86413697     -5.48288310
  O     16.97326580      9.77228440     -5.14329317
  H     13.21909246      6.83352172    -12.84481807
  H     14.03966843      5.74895318     -6.96573650
  O     15.96626485      8.08314760     -8.91005508
  H     14.20614630      5.66582012    -12.90215188
  H     16.95809362      5.50899492    -12.89923341
  O     18.71859418     10.80826703     -7.12989778
  H     15.60502651     10.62443498     -6.19504601
  H     16.14064315      6.82135700    -12.78731525
  O     14.10450144      6.30840060     -6.16920475
  H     14.43055646     10.27015883     -7.13279304
  H     18.47841993      6.66197729     -6.91274715
  O     16.06452228      5.85646208    -12.78904440
  H     13.17371227      9.39666284    -13.19035312
  H     19.73907929      7.31811564     -7.51605443
  O     19.29137793      6.47038199     -7.39535391
  H     14.49304036      8.74773100    -12.72827606
  H     16.62533178      7.65197687     -7.28128896
  O     16.74386926      7.33178783     -6.37340234
  H     12.21124630      7.15756428    -10.12012990
  H     15.91853025      6.88043536     -6.15688884
          69
 Energy    -249.41993229692264     
  O     16.72868088     10.53571903    -14.61988366
  H     17.49534863      9.97308974    -14.80315340
  H     12.81979066     11.41414995     -8.97684523
  O     14.64505052      6.72833361     -9.39450474
  H     15.97325276     10.13409703    -15.07581738
  H     16.68963489      5.09978727    -15.81899159
  O     12.47286686      8.23627734    -10.50192009
  H     14.67049595      6.11899129     -8.66211493
  H     17.83933926      4.06540592    -15.75531462
  O     14.61100508      9.15167058    -15.68698034
  H     15.01638162      7.57041792     -9.07299264
  H     15.51534740      7.80205446    -12.10665897
  O     18.85612548      8.82091939    -14.84310623
  H     13.12308814      7.63247303    -10.12399607
  H     15.29169292      6.61979572    -11.13657395
  O     20.68036527     10.09298496    -13.12147413
  H     12.66165941      9.10168946    -10.11964158
  H     18.08216601      6.48451725    -16.68833078
  O     17.99711216      6.65043341    -13.33993122
  H     14.87131442      8.80594032    -16.55026849
  H     18.48814773      7.94770838    -16.45456441
  O     11.54578728      7.97233906    -13.02690936
  H     14.38429973      8.38214194    -15.14495170
  H     16.52726870      7.72359348    -17.72740215
  O     15.91819843     12.93380528    -13.22956036
  H     19.60683134      9.21604698    -14.38443898
  H     15.56199153      7.97271335    -18.91185881
  O     12.54957703     10.40747710    -14.13638776
  H     18.54865798      8.07976760    -14.29823548
  H     16.00436003      9.80812215    -13.10587969
  O     13.75501334     11.65370813    -12.03265158
  H     20.00746954     10.74453898    -12.86163619
  H     14.87012728     10.17453025    -12.12705791
  O     13.30486392     10.78327528     -9.50282092
  H     21.52028146     10.54437840    -13.11136016
  H     17.89554576     11.33040818    -13.17314233
  O     17.62452364      4.97638590    -15.57388206
  H     17.92862046      5.99024804    -14.04125263
  H     18.19868126     11.16616982    -11.66352329
  O     15.55096571      6.83334117    -12.04022995
  H     17.15704619      6.63812050    -12.85999902
  H     16.85469684      9.75045267    -11.02712562
  O     18.11988416      7.34862766    -17.11709283
  H     11.85255204      8.05925250    -12.10628480
  H     18.26376869      9.23841888    -10.61974468
  O     15.59193766      7.85534857    -17.96636306
  H     10.63539245      7.69163713    -12.98889460
  H     14.41842973      6.74446269    -13.45175291
  O     15.57495270      9.53531607    -12.28533813
  H     16.07364671     12.29342607    -13.93585916
  H     12.98357683      7.16187656    -13.86390614
  O     18.47815161     11.63285630    -12.46596318
  H     16.75086341     12.97232339    -12.74950914
  H     19.06202798      7.48047464    -11.97844287
  O     17.59784295      9.91649137    -10.42755898
  H     13.18070581     10.10108873    -14.79886359
  H     20.03550964      8.67338214    -11.90875993
  O     13.83875368      6.88280316    -14.21388015
  H     12.11062733      9.61455511    -13.80290432
  H     16.33762967      9.49228479     -9.09573286
  O     19.46783028      8.11058781    -11.36937759
  H     13.23598999     11.31681573    -12.77984164
  H     14.83713692      9.81272372     -8.87528035
  O     15.53284577      9.17814553     -8.66309942
  H     14.43735995     12.24033341    -12.38644140
  H     15.13156558      6.24027374    -16.98362797
  O     15.08017729      5.54014625    -16.32208691
  H     13.43564175     11.19026947    -10.37667854
  H     14.54613335      5.89792952    -15.59913720
          69
 Energy    -249.41980516903396     
  O     15.90255157     12.85119545    -16.43359780
  H     15.59808965     13.71827688    -16.68808118
  H     15.21080261      5.12024931    -15.45453435
  O     15.08681460      6.26759446    -14.02046270
  H     15.20649366     12.46678811    -15.87223205
  H     19.22613260      5.81579219    -13.12758707
  O     18.05944778      8.56153690    -11.61816447
  H     15.59922713      6.10848075    -13.21640913
  H     17.89385376      5.27010984    -12.57228487
  O     18.39494709      6.36588949    -16.98524108
  H     14.41617369      6.92655042    -13.79378371
  H     18.49423915     10.48365673    -17.49386953
  O     15.90672848      6.11487562    -18.43326195
  H     17.79911088      9.18192648    -12.31805074
  H     19.96912063     10.74092640    -17.87194645
  O     15.96324497      9.53749646    -10.04530299
  H     18.88719850      8.17628681    -11.92923854
  H     17.45568565      7.51896337    -15.78537122
  O     13.40195827      8.35226239    -13.31723148
  H     18.39571174      5.50240412    -16.54885679
  H     16.22733154      7.37766501    -14.83926571
  O     17.28168136     10.15095805    -13.68330058
  H     17.66875866      6.34781859    -17.61952212
  H     14.19000538     11.46531972    -13.99030908
  O     18.18370193      3.94161997    -15.57856909
  H     15.73202202      5.60853653    -19.22178499
  H     13.49803399     10.95767710    -15.27130096
  O     14.22135619      7.32185301    -10.68798563
  H     15.67888002      5.54469353    -17.67523796
  H     13.53168063      9.02595713    -16.49880347
  O     20.06764322      8.15773846    -15.64720575
  H     16.23401159      9.87755875     -9.19585166
  H     12.00119673      9.24096684    -16.46822712
  O     15.48890455      4.60988677    -16.22799897
  H     16.76632061      9.20544763    -10.47863595
  H     21.15830049      7.40606686    -12.81188698
  O     18.61842425      5.06802373    -13.17830516
  H     13.90378220      9.12122263    -13.00900876
  H     20.17066450      7.73493968    -13.95162543
  O     19.40441439     10.48192334    -17.14775192
  H     13.03443236      8.60847469    -14.17150793
  H     15.71408758      6.38945056    -11.20318155
  O     16.78072618      8.01695270    -15.31008664
  H     17.15979877      9.44237792    -14.33188500
  H     17.07104944      6.98021798    -11.64131103
  O     13.97797369     11.70757246    -14.90085695
  H     17.71318783     10.89794596    -14.11836622
  H     16.46483915     11.44440237    -17.53569790
  O     12.79041722      9.30578320    -15.93605397
  H     18.63740077      3.10425637    -15.61624341
  H     16.15918078      9.97936302    -17.91111202
  O     20.23009180      7.42128252    -13.03157981
  H     18.33819569      4.30394476    -14.68698038
  H     15.71929498     10.48614077    -12.95880997
  O     16.54306100      6.16973041    -11.65247793
  H     13.73956243      7.60458280    -11.47405976
  H     15.09756509     10.40617303    -11.55477350
  O     16.82506009     10.67163164    -17.99101989
  H     14.68464387      8.10439540    -10.36266798
  H     17.56688383     12.53873830    -15.55604375
  O     14.87946301     10.57106200    -12.47796676
  H     19.66262276      7.48488806    -16.21056170
  H     18.84664522     11.71043639    -15.79962000
  O     18.36316338     12.20286738    -15.12382840
  H     19.88674746      8.99932921    -16.08328572
  H     15.62793843      8.48133420    -16.58509973
  O     15.03064003      8.55380110    -17.34671561
  H     16.34598426      4.23272091    -15.99286357
  H     15.20053140      7.76210727    -17.87187947
          69
 Energy    -249.41898785641905     
  O     16.57427741      9.25961645    -15.25915796
  H     17.22042697      9.43789355    -15.95378527
  H     19.31144489     10.36247585    -17.05068923
  O     18.79750737     14.85826613    -16.76626436
  H     15.90011683      9.94597393    -15.33924413
  H     18.23967043     10.60207042     -9.74718161
  O     18.80402134     13.58313332    -10.41772818
  H     18.84277027     15.28407143    -15.89978739
  H     17.95535373     12.11688696     -9.70707883
  O     14.96159516     12.83931223    -12.87194786
  H     18.18632260     14.11472162    -16.67972439
  H     21.65562119     16.55431986    -12.28995371
  O     19.43835177      9.44721109    -10.79088509
  H     19.25022259     14.35915832    -10.05857138
  H     20.55214413     16.58922066    -11.22698415
  O     15.44592770     10.66256754    -11.08343103
  H     18.27364665     13.86667632    -11.17578549
  H     20.16120588     12.46751850    -10.94080228
  O     20.81381876     11.10913287    -16.58050032
  H     15.05020120     12.11773937    -12.23656988
  H     20.52588344     10.96707795    -10.96478660
  O     21.62929467     14.42783900    -14.70582473
  H     14.85961489     12.41999142    -13.73458841
  H     16.71168464      9.90777450    -12.21091720
  O     20.44993131     15.67530135     -9.53684901
  H     18.79348880      9.42132928    -11.51830421
  H     17.16664599      9.33230309    -13.59134320
  O     21.29567897     11.79513401    -13.87834054
  H     19.67685977      8.54267523    -10.60437419
  H     20.32062514     14.22070261    -17.26484997
  O     14.90002201     11.61434798    -15.48435456
  H     14.75380088     10.24256467    -10.57948619
  H     21.53462680     14.19045822    -18.22660053
  O     18.43137274     10.05400373    -17.33258321
  H     16.13844502     10.92159692    -10.44889669
  H     22.73863033     15.06819039    -13.47956028
  O     17.56654373     11.25178443     -9.51429673
  H     21.07614487     11.15871786    -15.65254158
  H     24.05089108     15.76030860    -13.04614522
  O     20.76062263     16.87383507    -12.12523830
  H     20.98199684     11.98606438    -16.94757816
  H     19.68314356     16.23836933    -13.43345052
  O     20.87827315     11.84763665    -11.14249917
  H     21.63387522     14.27339213    -15.65822077
  H     18.51788312     15.22965017    -13.61849088
  O     17.47895975      9.60558203    -12.71536590
  H     20.77711058     14.83581255    -14.48772469
  H     22.10102108     13.20357443    -10.58682507
  O     21.20102210     13.82684463    -17.41118581
  H     21.22471591     15.11679343     -9.73222946
  H     22.82435821     14.45617680    -11.14781850
  O     23.21382205     15.44133773    -12.71829491
  H     20.59248658     16.05644094     -8.67474446
  H     19.48839119     11.84089442    -13.93855868
  O     19.23001148     15.68574813    -14.08733920
  H     21.49409906     12.71037071    -14.12265675
  H     18.17515232     11.11257655    -13.50665258
  O     22.47760482     14.05778648    -10.33900468
  H     21.27315649     11.76352326    -12.91196716
  H     17.66627486     11.71916705    -16.90160755
  O     18.52555342     11.90727106    -13.92794540
  H     15.69912043     12.02721656    -15.85284757
  H     17.77871012     12.32155610    -15.49385637
  O     17.36540629     12.46108916    -16.36137681
  H     14.18801867     11.81012339    -16.08916764
  H     17.85816605     13.33226553    -13.14219761
  O     17.40538752     14.09045351    -12.74006831
  H     18.56159490      9.56210553    -18.13882613
  H     16.46884923     13.85042361    -12.74093835
          69
 Energy    -249.41889464169549     
  O     12.05496237      9.87451314    -15.50787055
  H     12.62360264     10.65894219    -15.56142994
  H     17.09776558      6.05679572    -14.32623667
  O     16.25518337      6.70891145    -12.92730575
  H     11.35039827     10.00491425    -16.13870160
  H     20.72007131      8.36830040    -11.62877009
  O     16.20012392     10.63973380    -10.78059395
  H     16.62713581      7.08601296    -12.11808708
  H     19.76882768      8.29423954    -12.84436455
  O     18.13305397     11.20406319    -14.55132443
  H     15.29085558      6.72161825    -12.85148935
  H     16.40831938     11.26739109    -17.06793196
  O     15.92538683      7.63409760    -16.66467209
  H     15.59848730     10.55982945    -10.02965339
  H     16.84210668     11.93770634    -15.75659818
  O     12.21965517      8.98075617     -9.97226010
  H     15.66158956     10.87523917    -11.54880503
  H     16.12585103      8.80000298    -15.22374192
  O     13.50331144      6.89089723    -12.73869744
  H     18.41933125     11.39630742    -13.64850950
  H     16.35701423      8.36882781    -13.76728786
  O     14.70258381     10.99817476    -13.10106964
  H     17.52900796     10.44895600    -14.48118343
  H     15.06567838      8.28053557     -8.72391971
  O     19.63577226      9.87747686    -16.40235539
  H     16.49369355      6.94707908    -16.29574177
  H     16.11961978      7.48898598     -9.51508748
  O     13.11676577      6.24263008    -10.03922019
  H     15.01640925      7.43942090    -16.38906612
  H     13.39276458      7.00896072    -14.67705328
  O     19.61769023      7.76859255    -14.49754333
  H     12.36030906      8.02623902     -9.95212012
  H     12.94722632      8.15611584    -15.60679557
  O     17.57261780      5.86163723    -15.15348819
  H     12.13425669      9.21624589    -10.90582797
  H     19.20739669     10.41157019    -11.83731135
  O     19.83732853      8.58473921    -11.91761240
  H     13.14336629      7.78890262    -12.72795334
  H     17.94817988     11.18307531    -11.38975335
  O     16.15009612     11.94792884    -16.42897522
  H     13.31815965      6.52283972    -11.86513303
  H     16.93562994      8.97612368    -10.82242125
  O     16.28110804      9.14426840    -14.33496132
  H     14.36643568     11.58156100    -13.79009277
  H     18.24298567      8.18599731    -11.09575344
  O     15.33248309      7.38461666     -8.96456945
  H     15.24335975     10.33314769    -13.55770668
  H     14.09093278     10.56331390     -7.94096385
  O     13.41775201      7.31413622    -15.59181775
  H     20.37905894     10.37540013    -16.73394900
  H     13.55116704      9.75734739     -9.14672211
  O     18.77551811     11.27409048    -11.87931001
  H     19.18347985     10.44801292    -15.75602654
  H     16.68840102      9.01391451    -17.62747197
  O     17.32504474      8.08906411    -10.81219317
  H     13.94031087      6.57248364     -9.63624244
  H     18.03333583      9.75957729    -17.53739749
  O     14.36315710     10.08041743     -8.71676548
  H     12.84210662      5.48732702     -9.52666314
  H     12.06509610      9.57236091    -13.61329497
  O     17.14101450      9.82531750    -17.89689169
  H     19.67456362      8.41892959    -15.20871206
  H     13.22809306     10.03163821    -12.72413441
  O     12.43119155      9.48063880    -12.72637861
  H     18.99347751      7.09529775    -14.79078341
  H     14.55461569     12.08376455    -15.88548207
  O     13.66962425     12.16297315    -15.48143863
  H     17.67155874      4.91397610    -15.19834434
  H     13.39269644     13.06626922    -15.60937481
          69
 Energy    -249.41882824713849     
  O     18.11895205      9.33120097    -10.37564029
  H     17.89741982      8.46635370    -10.00722140
  H     17.46258730     12.65031523    -10.29918106
  O     14.08515386      9.09170554     -9.89646182
  H     17.30932053      9.72064168    -10.72914620
  H     19.03758529     10.25672682     -9.17236730
  O     19.32687924      3.76576981    -12.12259115
  H     14.60927467      9.46465939     -9.16249159
  H     20.33982751     11.09231193     -9.03180483
  O     21.42591047      7.52517679    -12.22774169
  H     13.16847097      9.20026995     -9.65929804
  H     19.71438507     10.36504150    -12.81620203
  O     15.63025332     10.17515800     -8.01214254
  H     19.20347213      2.82082019    -12.13197041
  H     19.04904286      9.34444424    -11.87041453
  O     22.97882653      8.87656904    -10.31478154
  H     18.45499772      4.16652527    -12.29382904
  H     20.13609803      4.90237694    -13.51716235
  O     17.27036875      8.18468704     -7.04399821
  H     20.80735247      8.23013796    -12.46839217
  H     20.91169998      6.23221217    -13.52448822
  O     21.51826160      7.40605073     -8.57598173
  H     22.09251213      7.94013767    -11.66759247
  H     17.45326352      5.91467973    -13.13432863
  O     20.02050960      8.88232133     -6.65514431
  H     16.19681615      9.51050860     -7.59026682
  H     16.35030846      5.53952441    -12.13135441
  O     17.50834084      6.80035602     -9.46242276
  H     16.15418671     10.97643353     -8.10726499
  H     15.81530436      9.80559782    -12.48217143
  O     17.38662519     12.45553498     -8.38784054
  H     22.49264779      8.37200000     -9.63666681
  H     15.14122142     10.04830623    -11.11076511
  O     17.54740236     12.56261974    -11.25600817
  H     23.90566677      8.79305747    -10.10587881
  H     16.59127030      8.03398669    -13.95632315
  O     19.55201823     10.79721247     -8.55207042
  H     17.31297706      7.57142507     -7.79100775
  H     15.16437433      8.30305858    -14.48318755
  O     19.49096291      9.43147789    -12.72950641
  H     18.18479090      8.34225564     -6.78420755
  H     22.11654982     10.59084910    -10.34382487
  O     20.36036634      5.65741037    -14.07358217
  H     20.95249500      6.77997708     -9.04488898
  H     21.18805439     11.65011858    -11.00989894
  O     17.07125401      5.16931379    -12.65164943
  H     20.98768202      7.80180608     -7.87464616
  H     14.82621352      7.54607897    -10.70425209
  O     15.83861359     10.36852657    -11.69810153
  H     19.88636880      9.62749162     -7.26614408
  H     15.41849874      7.39725292    -12.11122488
  O     15.71791109      8.38328668    -13.71024616
  H     20.40194288      9.24244963     -5.85824386
  H     18.64181730      8.15384751    -13.68158645
  O     21.63010865     11.40994013    -10.18652655
  H     18.31058177      6.40140973     -9.82785397
  H     18.93082625      6.75616889    -14.27143113
  O     15.32570301      6.93875656    -11.26553483
  H     16.78927420      6.69321730    -10.09734291
  H     19.11865602     12.34965115    -12.00879463
  O     18.21691059      7.38368805    -14.08654559
  H     17.47654498     13.16412450     -7.75526050
  H     20.15905243     12.90276826    -13.00911443
  O     19.97476653     12.16410496    -12.43496125
  H     18.20838543     11.93690561     -8.34727768
  H     20.43890428      6.48232680    -11.05837154
  O     19.96282520      5.91574498    -10.43487864
  H     16.87543442     11.91860810    -11.51652259
  H     19.82611551      5.07573128    -10.89021054
          69
 Energy    -249.41834658901973     
  O     16.28090931     12.55474808    -15.19567313
  H     16.88655175     11.87271934    -15.53920499
  H     14.22091507      6.07886528    -16.39159070
  O     14.04710415      6.65007316    -13.35454752
  H     16.43447459     13.34419945    -15.70777254
  H     17.19658541      5.59836748    -10.20777007
  O     15.09266741      8.35395863     -9.52033670
  H     14.09733846      6.12751379    -14.16775081
  H     17.20962844      4.07252578     -9.94806373
  O     18.25958323      8.09741699    -12.50926176
  H     13.21645468      7.14488827    -13.34107198
  H     18.83892351     11.01125382    -13.13739286
  O     14.05380377      7.70542012    -17.37565159
  H     14.85380729      7.51116014     -9.92996876
  H     20.35501027     10.79119762    -13.36275692
  O     12.51300944      9.38179935     -9.49554453
  H     14.25136042      8.78558319     -9.31384178
  H     15.18836840      7.96167645    -13.56436244
  O     11.80589478      8.22459068    -12.95908088
  H     18.82963939      8.81816003    -12.80382622
  H     16.13652162      8.57181040    -14.63799282
  O     15.65406921     10.28166981    -11.42770830
  H     17.39343605      8.27719373    -12.89721999
  H     14.74472066     11.57166362    -14.89179168
  O     17.27728287      5.41975241    -15.77765036
  H     13.40536066      8.14298643    -16.79547656
  H     14.64755123     10.13960149    -14.34122602
  O     11.66337999      6.80206978    -10.49171068
  H     13.70956295      7.76460946    -18.26292213
  H     15.07248784      5.38520177    -10.60441688
  O     17.80967696      5.41206186    -13.13934964
  H     12.08737930      8.55250930     -9.74700035
  H     14.25419596      6.11588035    -11.69872356
  O     14.42234816      5.39293357    -15.74243453
  H     12.45672145      9.95019029    -10.27249148
  H     11.96904001      8.65843932    -14.86533340
  O     16.82868313      4.74577393    -10.50552504
  H     11.55445556      7.71984418    -12.17591000
  H     12.87611313      9.76404660    -15.43632214
  O     19.49921092     10.39664561    -13.50782885
  H     12.16142807      9.06487271    -12.63350571
  H     16.89853797      7.73967209     -9.57243106
  O     15.78290113      8.70491670    -13.74776426
  H     15.73806627      9.75135240    -12.23238862
  H     17.96215580      7.64331678    -10.69428684
  O     14.11301170     10.88268179    -14.65140138
  H     15.56548842      9.65465034    -10.69692864
  H     18.57896418     10.41065499    -15.20834848
  O     14.28779738      5.92741059    -10.74703298
  H     17.46859135      5.36402418    -14.82387909
  H     17.60734630      9.70499110    -16.19201846
  O     12.37067997      8.97572499    -15.68189229
  H     17.87227639      4.81418866    -16.21161348
  H     13.11477828     10.96270309    -12.98412581
  O     17.67122052      7.23980051     -9.86567837
  H     12.54869287      6.40207216    -10.49585925
  H     13.85414946     10.58998311    -11.71123223
  O     17.96881710     10.56433688    -15.94022955
  H     11.07721554      6.16429718    -10.09159142
  H     17.01865358     12.32006573    -13.40859058
  O     12.96343997     10.63615569    -12.08858802
  H     17.44189876      5.04893515    -12.32692448
  H     16.86759188     11.54037251    -12.07929205
  O     17.50486136     12.00757798    -12.63637550
  H     18.12593573      6.29773286    -12.91337952
  H     16.95460875      7.20401910    -16.18335662
  O     16.63358100      8.10719612    -16.30883649
  H     15.37780822      5.26023474    -15.79012704
  H     15.78160562      8.03949231    -16.76109697
          69
 Energy    -249.41797216184753     
  O     11.98821123     10.64180586    -11.85858020
  H     11.76315205     11.56805023    -11.87089778
  H     13.39005501      3.04123404    -11.81434058
  O     10.25239962      4.52473869    -12.50980094
  H     12.46245423     10.45524208    -12.69016365
  H     16.58797489      6.04095527    -12.94642850
  O     17.24152876      5.12474249    -11.53470490
  H     10.25042689      4.76390612    -13.44227726
  H     16.02485618      7.39484934    -13.45191927
  O     14.73043984      2.68292802    -10.68756095
  H     11.04962521      3.98985874    -12.38610477
  H     14.41929382      6.16095763    -13.13965100
  O     16.27072520      9.46646643     -9.00730518
  H     17.25106827      4.22038513    -11.86993430
  H     12.93587918      6.57076654    -13.41048318
  O     10.18468819      6.32107791    -10.47205128
  H     16.55126511      5.16751092    -10.85588973
  H     10.20552237      7.81001208    -11.67462929
  O     15.71773343      9.01901433    -12.68318056
  H     15.47585040      2.55395990    -11.28776498
  H     10.75105507      9.20274746    -12.09352241
  O     10.79719379      5.03415044    -15.35698249
  H     14.94317621      3.45709543    -10.15086408
  H     18.34630673      6.38946277    -10.77035066
  O     16.88544336      7.03050096     -7.98919810
  H     16.90487786      9.66605341     -9.70607032
  H     18.22996079      7.05352678     -9.39245519
  O     15.69909329      3.89170352    -14.79253037
  H     15.40355427      9.45114689     -9.43692121
  H     12.02080447      6.48040049    -10.14223417
  O     12.87690389      3.15829997    -15.18201587
  H      9.46598582      6.11588864     -9.88006017
  H     13.17755081      6.40998943    -11.16507002
  O     12.80502239      3.41008634    -12.48941289
  H     10.15221828      5.66298455    -11.18981824
  H     17.41302405      1.91370069    -12.96807425
  O     16.09969016      6.45644170    -13.67314884
  H     15.09853445      9.01154775    -11.93917527
  H     16.41576530      2.98977202    -13.46073356
  O     13.50859953      6.03561337    -12.84501341
  H     16.56767649      9.29120398    -12.31465371
  H     15.82779116      5.78987286     -8.90039697
  O     10.27921271      8.42410243    -12.41454838
  H     10.22257902      4.83323107    -16.09236463
  H     14.47965843      5.69144621     -9.66401800
  O     18.68473655      7.12434449    -10.24050022
  H     11.52833076      4.39783346    -15.39320114
  H     18.36583614      8.69409486    -10.93895912
  O     12.97515343      6.58527964    -10.23162618
  H     17.07665769      7.09375438     -7.05729034
  H     18.86954552     10.08264501    -11.39849564
  O     16.81712951      2.59420629    -12.66678962
  H     16.62810210      7.92278070     -8.28422254
  H     13.23963213      9.72491535    -10.84299965
  O     15.32398993      5.24345473     -9.51746850
  H     14.77497981      3.78492596    -15.03853639
  H     13.56327401      8.29388615    -10.31664385
  O     18.07885583      9.56997891    -11.25463504
  H     15.83732627      4.83220562    -14.61420096
  H     14.25643195      9.61117759    -13.77172159
  O     13.94363666      9.16519510    -10.49342628
  H     12.89432670      2.25646439    -15.49415627
  H     12.92912905      9.06372752    -14.36780338
  O     13.37045011      9.86636579    -14.05890328
  H     12.85502944      3.11732715    -14.20852370
  H     11.20005670      7.82714541    -13.79388681
  O     11.83582678      7.51119833    -14.45795516
  H     13.06637534      4.33814819    -12.60334891
  H     11.43516521      6.75641958    -14.90319351
          69
 Energy    -249.41776325730365     
  O      1.47499232      0.62756958      3.81265123
  H      2.25625402      0.73468597      4.34897918
  H     -4.70511332      4.05014486      0.95896711
  O     -1.16848775     -1.57930632     -3.37851115
  H      0.86687795      0.05665508      4.31772982
  H     -2.29216039      1.60537984      6.15844917
  O     -0.31450816     -0.85924485      5.21912952
  H     -1.82547187     -1.23443076     -2.75761237
  H     -3.08040466      0.32371084      5.83885598
  O     -2.59322749     -0.59848665     -1.15669412
  H     -0.87170556     -2.41664928     -3.00220720
  H     -2.23596889      3.22991195      0.82592743
  O     -0.10598904     -3.77205375     -1.80988426
  H     -0.94546940     -0.29963259      5.69918875
  H     -1.00924528      2.47566341      0.23557724
  O      1.74292161     -1.88163591     -1.17542457
  H     -0.78816327     -1.67229169      5.03322588
  H     -3.54949409      0.40940365      1.26763886
  O     -4.44252403      2.60375753      3.77433384
  H     -1.82028678     -0.05661422     -0.94066980
  H     -4.45748107      1.47651574      0.65364611
  O     -2.49071253     -2.71274086      4.12366358
  H     -3.33754250     -0.20816384     -0.68049187
  H     -1.65544332      1.03483725      2.73899403
  O     -0.60506183      2.46741777      3.34718762
  H      0.33211104     -4.56258070     -2.11348281
  H     -1.63193096     -0.46577799      2.29343150
  O      0.90394475      0.14961806     -3.01909211
  H      0.59401174     -3.14902732     -1.54331461
  H     -1.55333733     -3.50865242     -0.69585241
  O     -4.10199011     -0.27134570      4.34553630
  H      1.63131157     -1.18078199     -1.82992786
  H     -2.45050604     -2.25912416     -0.50289766
  O     -4.16569534      3.28558241      1.14325590
  H      1.73781495     -1.44207527     -0.31547949
  H      0.57955368     -1.16499259      1.51208974
  O     -2.32504683      0.65838728      6.33987594
  H     -3.76218832      2.94638549      4.36894959
  H      1.49141609     -0.05210585      2.04973236
  O     -1.27200866      3.19035868      0.83098957
  H     -4.56499288      1.68170586      4.02197753
  H     -1.89793934      4.15549411      5.71684812
  O     -4.30653700      0.52433118      0.66986233
  H     -3.02418828     -3.21837513      3.49538008
  H     -1.59020073      3.07796087      4.64739510
  O     -2.20115907      0.29863907      2.43908513
  H     -3.04635987     -1.96652457      4.37945879
  H      0.22046840      0.50608923      0.05729206
  O     -2.24519202     -3.13282857     -0.13634126
  H      0.21204369      1.96231639      3.42865808
  H      0.13213692      0.84325247     -1.45285232
  O      1.22550846     -0.49486519      1.23634126
  H     -0.69879655      2.81642588      2.44597551
  H     -1.24841994     -2.51597169      1.25494116
  O     -2.21484118      3.33503849      5.34914603
  H      1.22775394      0.54820113     -3.82193255
  H     -1.27582145     -2.39836197      2.80518601
  O     -0.32675319      0.94457611     -0.60936127
  H      0.16819859     -0.43752340     -3.26978546
  H     -3.41461740     -3.63803015      1.14406209
  O     -0.80222322     -2.11465886      2.01193765
  H     -3.38364067     -0.02559070      3.73929284
  H     -4.39182907     -4.64840092      1.78234374
  O     -3.97655494     -3.79974143      1.91916036
  H     -4.78137246     -0.68077787      3.78945948
  H     -5.30399763     -0.77170416      1.65671860
  O     -5.57586085     -1.40646383      2.33373908
  H     -4.28595003      3.08202979      2.08821291
  H     -5.12708536     -2.23382437      2.12472210
          69
 Energy    -249.41755883809572     
  O     -2.07348799     -1.55570046      7.25431471
  H     -1.58192342     -2.23387811      6.76262261
  H      1.38401218     -4.89035237      2.26805652
  O      0.24790629     -1.54641131      4.01726507
  H     -1.79329083     -1.62158143      8.16413631
  H     -0.62716003     -2.21887578      2.58824254
  O     -1.38105130      0.61296763      3.34180130
  H     -0.03954901     -2.21747000      4.65017705
  H     -0.86906113     -1.65845421      1.17866093
  O      0.61988208     -5.73458810      5.15105222
  H      1.15910086     -1.72852607      3.75436586
  H     -3.96841801     -1.76294724      2.18452911
  O     -4.48694461     -2.37642456      5.95518506
  H     -0.76667875     -0.09296330      3.58994288
  H     -2.76868666     -2.66892878      1.84836256
  O     -0.92885421     -3.46970120      5.63645854
  H     -1.78266457      0.89254639      4.17765241
  H      0.31794176     -4.64633898      0.12868715
  O     -1.47395665     -6.07779348      3.16385416
  H      1.18519330     -5.42230703      4.42022771
  H     -0.40188005     -4.01924790      1.31282979
  O     -5.30395922      0.01400187      4.96767238
  H      1.09425876     -6.43593113      5.58831295
  H     -3.09639341      0.22834571      2.73596163
  O     -0.33790179      0.11777936      0.74877059
  H     -3.74392247     -2.12603171      6.51860830
  H     -4.54226338      0.10441962      3.29428043
  O     -1.63322406     -2.12036112     -1.69951236
  H     -4.17211212     -3.10956422      5.41127990
  H      1.05051588     -3.68446519     -2.23074837
  O     -4.26812421     -2.71704339     -0.73654643
  H     -1.72989740     -3.68326654      5.13400740
  H     -0.13685387     -3.00796033     -1.51134212
  O      1.97889418     -4.81326660      3.02668896
  H     -0.36540310     -4.25336097      5.60579437
  H      2.50187798     -1.88853014      1.96434376
  O     -1.04903717     -2.42107103      1.74247208
  H     -0.78479448     -6.12770163      3.83687045
  H      3.61234617     -1.69846789      3.02508232
  O     -3.73549400     -2.67035271      1.94398033
  H     -1.02621500     -5.81945299      2.34846180
  H      1.58454341     -2.18077995     -0.21945977
  O      0.00984834     -4.84723682      1.01903401
  H     -6.16870855      0.23562392      5.30178306
  H      1.22423882     -0.83591316      0.45616388
  O     -4.01067939      0.02738314      2.49164938
  H     -5.09112751     -0.87546578      5.30315895
  H     -2.02571424      1.43819920     -2.06801055
  O      0.71139286     -3.46431419     -1.36701873
  H     -0.87312539      0.44514033      0.01507437
  H     -2.84713324      0.59790806     -1.05859330
  O      2.75747492     -2.09524645      2.88218291
  H     -0.68703475      0.49083685      1.56870858
  H     -3.60061154      0.72714270      5.58284152
  O      1.91671471     -1.50812636      0.38652614
  H     -1.67414172     -1.15746321     -1.73495687
  H     -2.39111167      0.12103921      6.30921460
  O     -1.96047363      0.72140129     -1.44357420
  H     -2.51257217     -2.41114343     -1.42966770
  H     -2.71805621     -4.96208059      3.84596785
  O     -2.66573670      0.87370502      5.77127300
  H     -4.14353780     -2.82136317      0.22196197
  H     -3.50902397     -3.70054090      3.43101385
  O     -3.20208023     -4.20048014      4.19940564
  H     -4.91121891     -3.36941538     -1.00207921
  H     -4.30358252      0.19235292      0.66568475
  O     -4.32809524      0.13246679     -0.29958715
  H      2.35061017     -3.92432128      2.98799273
  H     -4.46166749     -0.79917749     -0.51224373
          69
 Energy    -249.41748667800130     
  O     14.41593752      9.19567861    -10.44146794
  H     14.00083843      9.76008367    -11.10672051
  H     15.86945736      5.05773776    -10.27862238
  O     12.47922424     10.33700359    -16.00069075
  H     13.81636784      8.45985769    -10.24569118
  H     12.87495202      6.44142155    -10.90449096
  O     16.23021086     11.14004731    -13.37822642
  H     12.31319198     11.10955869    -15.44562191
  H     13.67644013      6.35945659     -9.57460184
  O     14.82849565      4.47599057    -13.42154004
  H     12.36367815      9.56973465    -15.42674437
  H     18.67949242      7.67720176    -14.08300976
  O     17.44210409      7.09841460     -8.12298468
  H     15.35803401     10.87211345    -13.05843231
  H     18.03492820      8.25193300    -15.35485269
  O     15.01180595     12.94552370    -15.17709199
  H     16.85311162     11.08524961    -12.64380027
  H     13.36910999     12.84603140    -14.56867333
  O     15.92818452      7.58655119    -12.19023859
  H     15.35809270      4.47437736    -12.61138257
  H     11.99752836     13.40879555    -14.11866091
  O     13.55260889     10.51047995    -12.67948766
  H     15.45038514      4.67594932    -14.13002745
  H     12.39633564      7.47799679    -13.53347831
  O     18.61183359      8.22843526    -12.28407931
  H     17.97741500      6.79507148     -8.87921366
  H     13.48360071      8.04066580    -14.45445906
  O     18.13034601     10.85551519    -11.30525034
  H     18.02141353      7.11356895     -7.36531767
  H     14.68367915     11.04933449    -18.18145620
  O     16.68744261      5.41219296    -15.41369717
  H     15.03162494     12.40449047    -15.97643141
  H     13.98681740     10.67238515    -16.85398741
  O     16.30140412      5.05485222    -11.14091460
  H     15.55836889     12.47563799    -14.53218873
  H     11.81904914      5.12483577    -12.74410466
  O     13.03220555      6.88646430    -10.06237404
  H     15.56763211      7.61606515    -13.08436765
  H     13.33273287      5.30900275    -12.97091013
  O     18.44190862      7.45420900    -14.99264950
  H     15.39438174      8.15077455    -11.61694782
  H     14.98907939      5.01450521     -7.84407936
  O     12.48906582     12.60017114    -14.23042909
  H     13.19206082      9.72636290    -13.11885268
  H     15.89306184      6.14766926     -8.37374033
  O     12.63095451      8.26094669    -14.04276364
  H     13.11231103     11.27451845    -13.06978473
  H     18.89812998      6.89677859    -10.98419201
  O     14.83261459     10.95597983    -17.24427252
  H     17.66772235      8.00348778    -12.25436901
  H     18.07468357      5.63020210    -10.66953359
  O     12.52917283      5.75621763    -12.65347605
  H     18.65996963      9.14846371    -12.00181595
  H     15.67301348      8.36719637    -15.21210414
  O     15.14932217      5.56844799     -8.60481361
  H     17.69211623     10.46855997    -10.52522080
  H     15.51775133      6.82329439    -15.17620541
  O     18.75566691      6.21602131    -10.31293654
  H     18.69631621     11.55308111    -10.98590158
  H     15.92737780      9.58327455     -9.57523266
  O     15.10141587      7.65027246    -14.90517623
  H     17.38985087      6.06521413    -15.24144756
  H     17.05843690      8.85854335     -8.81878884
  O     16.83443175      9.68954466     -9.24947788
  H     16.96568330      4.91238419    -16.17668432
  H     16.23085932     10.11617281    -16.33218161
  O     16.79471926      9.69093979    -15.67338528
  H     16.15356493      5.93871999    -11.51715445
  H     16.70457392     10.20871007    -14.85909982
          69
 Ord_Energy   -249.417435    
 O   -4.14280128       2.60008073      -3.26681781    
 H   -3.29900193       2.14862108      -3.42619205    
 H   -4.78520536       2.19759822      -3.86343765    
 O   -1.06903195      -1.79587245     -0.835918128    
 H  -0.736078382      -2.56975746     -0.389082223    
 H  -0.292108417      -1.27474725      -1.10893261    
 O    1.95663631       1.32993972      -3.86619663    
 H    2.88794613       1.46259654      -4.02505207    
 H    1.57444155       2.21480489      -3.72074580    
 O  -0.730750799       2.00592160      -1.07275593    
 H  -0.615903258       2.96129012      -1.03323591    
 H   -1.05107498       1.79629064      -1.96415377    
 O   -3.92626548       5.61438847     -0.181474447    
 H   -3.15411592       5.58528948      0.396398187    
 H   -4.52448654       4.93506432      0.153654575    
 O   -8.04289728E-02  0.897932053      -5.74018812    
 H  -0.421579659      -3.69330007E-03  -5.80611897    
 H   0.700977206      0.897592485      -5.17317581    
 O   -1.39325225       4.98643255      -4.95557880    
 H   -1.33154953       5.85380936      -5.35011768    
 H   -1.98090088       5.07693815      -4.18787861    
 O   -2.86896682       2.77695704       1.98981082    
 H   -3.78108072       2.98838639       1.75177634    
 H   -2.69443917       1.90701842       1.61163914    
 O   -5.42770529       3.39955592      0.881312072    
 H   -5.32035351       2.66448307      0.253920496    
 H   -6.31698561       3.34278202       1.22119594    
 O  -0.542773724       4.75419188      -1.22089469    
 H  -0.765338659       4.96405458     -0.304593116    
 H   -1.35566556       4.87157917      -1.73398125    
 O   -5.11049032     -0.748879015      -2.75822592    
 H   -5.16708708     -0.146313265      -2.00666428    
 H   -5.43151855     -0.245746508      -3.51803827    
 O   -1.95195806       2.73195553      -6.65866137    
 H   -1.17263126       2.18142653      -6.49470282    
 H   -1.83485937       3.52061701      -6.11794853    
 O   0.945691526     -0.126329958      -1.58540070    
 H    1.37184298      0.184881255      -2.39113045    
 H   0.494064569      0.658464313      -1.24050760    
 O   -2.45614457      0.475825846      0.330204368    
 H   -1.84465301       1.09347379     -0.105675124    
 H   -2.12023520     -0.400063723      0.117216259    
 O   -1.78321779       1.24295700      -3.49133348    
 H   -2.04046178      0.319309771      -3.36598134    
 H   -1.24744070       1.28170216      -4.29136848    
 O   -5.75598335      0.997453153      -4.91809273    
 H   -5.02330971      0.808490634      -5.53395462    
 H   -6.53808641       1.11760664      -5.44887114    
 O   -3.63879919      0.548852205      -6.49611139    
 H   -3.00266910     -0.161193624      -6.37019730    
 H   -3.12320614       1.36111689      -6.61929989    
 O   -2.51274490      -1.43985236      -3.21464062    
 H   -3.45560193      -1.29843271      -3.03494883    
 H   -2.07048035      -1.67185712      -2.38919282    
 O   -2.95433807       5.01176548      -2.67743850    
 H   -3.36081028       5.35434866      -1.86805558    
 H   -3.43898273       4.20375347      -2.90121675    
 O   0.806714594       3.78796506      -3.54117370    
 H   0.158050865       4.14891720      -4.15720081    
 H   0.564323425       4.16024923      -2.68422818    
 O   -1.55217469       5.08342218       1.37854910    
 H   -1.94750905       4.23110962       1.63405156    
 H   -1.24667013       5.49485302       2.18261909    
 O   -4.81755924       1.37013578     -0.849977672    
 H   -4.56220770       1.84017169      -1.65751994    
 H   -4.01309156       1.01497960     -0.443950832    
 O   -1.61543667      -1.47306335      -5.79954958    
 H   -1.93522561      -1.57194901      -4.88658714    
 H   -1.60806799      -2.34563756      -6.18456459    
          69
 Energy    -249.41719608681930     
  O     12.10300220     11.05408719    -14.03815637
  H     12.74873864     11.70092356    -13.73642112
  H     19.46906248      9.26293934    -15.07076970
  O     16.37141040      7.12166658    -14.29786188
  H     12.40412995     10.74770048    -14.90686179
  H     14.49452610      9.65113648    -14.95842018
  O     17.33747304      9.64139008    -10.85447068
  H     17.16601612      7.28103281    -13.77045821
  H     15.63215835      8.76642021    -14.35617107
  O     16.54561205     12.01249067    -14.35846893
  H     15.71414209      6.75080644    -13.69394224
  H     11.54233740      9.60071553    -13.26132628
  O     13.27680470      7.11742023    -16.89336733
  H     17.22538886      9.10920313    -10.05703048
  H     10.30146415      8.78205424    -12.83991377
  O     14.13704888      7.48421521     -8.48290923
  H     16.45679400      9.95782665    -11.09981374
  H     16.95085270      6.48056033    -10.08603380
  O     14.60419506      6.28033686    -12.30435145
  H     17.31002960     11.89358448    -13.77360204
  H     17.60709293      6.35732296    -11.46666431
  O     14.81099864     10.43334543    -11.72687460
  H     16.11547936     11.14516078    -14.42301056
  H     13.29119761      6.36904379    -13.64582831
  O     17.48054828     11.94634488    -16.93992386
  H     12.74299055      6.55806676    -17.45125776
  H     12.13077622      7.36222216    -13.86359579
  O     18.45983360      9.30367056    -16.48015795
  H     13.06297208      6.88091982    -15.97256045
  H     19.19010816     10.70059880    -13.24124099
  O     16.08626678      7.72022929    -16.97872737
  H     13.59965462      6.76093159     -8.16880352
  H     18.30482402     10.84006599    -11.98567680
  O     20.00410076      9.28889669    -14.25727034
  H     13.72098679      7.78807193     -9.30572632
  H     18.05707179      8.38247537    -11.98156600
  O     15.19501745      9.62434444    -14.29578615
  H     14.15132360      6.96981258    -11.80220653
  H     19.09394104      8.15449208    -13.10883280
  O     11.25398261      8.75316099    -12.87805986
  H     15.37469012      6.02200002    -11.77687580
  H     15.87522233      7.74875311     -8.57356320
  O     16.95452827      5.94321080    -10.88673787
  H     14.55612487     11.34850331    -11.88255491
  H     17.24892802      7.78685894     -7.86527536
  O     12.65464338      6.68085544    -14.30162531
  H     14.90876650     10.04953199    -12.61458082
  H     15.67621538      9.46763135    -17.68349719
  O     18.64145473     11.32509206    -12.75018649
  H     17.89392654     12.75910316    -17.21860480
  H     16.04443130     10.96627795    -17.70402557
  O     18.43988433      7.70568914    -12.55921888
  H     17.15896336     12.08773071    -16.03383555
  H     12.44305677      8.43839567    -11.49538463
  O     16.83039981      7.85918508     -8.71942619
  H     18.18694060     10.19817044    -16.71965283
  H     13.76952124      9.12604358    -11.10581838
  O     15.33906285     10.34385171    -17.91458060
  H     17.74558963      8.71749431    -16.75418419
  H     15.04648444     12.69790526    -13.55712045
  O     13.21875956      8.34905875    -10.92819507
  H     15.16986775      7.45424883    -17.12537257
  H     14.16019649     13.80104863    -12.94029693
  O     14.22007248     12.85819304    -13.07248895
  H     16.28240942      7.39788210    -16.08577350
  H     13.87348238     10.20982078    -16.92020704
  O     13.21614819      9.87674770    -16.28952924
  H     20.91642285      9.22796073    -14.52738295
  H     13.06641183      8.95431491    -16.53051580
          69
 Energy    -249.41669802660860     
  O     -1.69203338      1.61676693     -2.60265358
  H     -1.86019261      1.54214114     -1.64970993
  H     -5.67885041      2.41586013      3.61320943
  O     -4.72365820      3.59444391      0.36589049
  H     -0.81817350      1.23995023     -2.75839417
  H      2.32518845      2.37772510      1.70849712
  O     -1.27307819     -0.96148477      3.27751133
  H     -5.01769185      2.94096802     -0.27913412
  H      1.17874662      1.33815758      1.64921346
  O     -0.51445715     -0.89873353     -0.58912634
  H     -4.89936155      3.21644545      1.23682099
  H      0.70859650      3.52764633     -1.42151926
  O     -3.85709599     -0.17261937     -2.58869385
  H     -0.44988263     -0.79732860      2.78890142
  H      1.35071471      2.77772193     -0.20544128
  O     -3.19411334     -2.03299128      1.38522831
  H     -1.03236049     -1.48747373      4.03744818
  H      3.63814250     -0.49717822      0.00475327
  O     -2.71537602     -2.48601109     -1.23906694
  H     -1.12260378     -1.57854921     -0.90072874
  H      3.90119777      0.36326245      1.25468470
  O      1.02093928      0.52871766     -2.39040622
  H     -1.07556811     -0.16906857     -0.27923266
  H      4.28362657      2.40458870      0.60739612
  O      0.93694862     -0.50104381      1.69839288
  H     -3.10221209      0.39888804     -2.78592188
  H      4.92617757      2.69153456      1.98669393
  O      3.63831067     -0.23590861     -1.90810609
  H     -3.50034605     -0.97284228     -2.18671448
  H     -5.03581753      0.86724445     -1.85337042
  O     -2.63325470      1.54540003      3.69524733
  H     -3.83160367     -1.30658959      1.31578979
  H     -6.45830127      1.47059953     -1.83865291
  O     -5.09403164      2.24765859      2.87993139
  H     -2.53523291     -1.74435803      2.02630298
  H     -1.49592270      3.90496169      1.42678022
  O      1.37326281      2.28339698      1.57781366
  H     -2.88993043     -3.39221098     -1.47822386
  H     -0.26246689      3.01821946      1.85843571
  O      1.44589826      2.96305364     -1.14846470
  H     -2.91534817     -2.40221305     -0.28839439
  H     -4.93625610      0.84618901      1.70551050
  O      3.56859170     -0.49606663      0.96770348
  H      1.16464475      1.39055300     -1.96732806
  H     -5.16464971      0.54616090      0.20056656
  O      4.18980930      2.25679067      1.56609865
  H      0.53257713     -0.03002219     -1.76718814
  H     -2.99009775      0.87640241      0.43857824
  O     -5.64664665      1.42654921     -1.34032627
  H      0.47981732     -0.75022815      0.88167154
  H     -1.82776557      1.85711212      0.76565660
  O     -1.21884725      3.13632097      1.94051979
  H      1.88409653     -0.62302038      1.53558613
  H     -1.41905866      4.56884162     -1.22550172
  O     -4.70798443      0.23541226      0.99298640
  H      2.72621381     -0.03049222     -2.17155298
  H     -1.26023288      3.48243169     -2.31561603
  O     -2.12604579      1.18469819      0.14142806
  H      4.00156087     -0.79030826     -2.59423000
  H     -3.27876671      4.55511742      0.27544023
  O     -0.83355525      4.25588141     -1.92543360
  H     -2.08495860      2.17009742      3.19763481
  H     -2.66358414      5.96835392      0.41063097
  O     -2.43945236      5.04922803      0.28996107
  H     -2.21222780      0.68377669      3.59963694
  H      3.28919794      2.81345747     -1.26696645
  O      4.18841077      2.47813773     -1.13497691
  H     -4.22519976      2.01628008      3.25775976
  H      4.17825984      1.58069524     -1.48919656
          69
 Energy    -249.41667822152419     
  O     13.78924915      3.19221554    -16.09635352
  H     13.00105460      2.75412139    -16.40745108
  H     21.15487095      4.88051706    -15.79260436
  O     17.56032550      6.58873201    -11.94044382
  H     13.76086873      4.10332719    -16.44153988
  H     17.11865006      7.42024852    -16.55271865
  O     19.18578793      5.96112152    -18.01986012
  H     18.34642955      6.78776413    -12.47008824
  H     18.01405803      8.67600171    -16.60413387
  O     17.09311880      4.54627749    -19.34722196
  H     16.83794008      7.08975120    -12.34354797
  H     15.47282313      5.99567607    -15.97101428
  O     13.43567971      6.12180072    -10.01385670
  H     18.56966898      5.42300526    -18.53066665
  H     16.81457193      5.42250563    -15.40606567
  O     14.24998800      3.95205069    -13.41476398
  H     18.70572867      6.77475316    -17.81113119
  H     12.49107076      7.04704154    -14.35779935
  O     15.54764147      7.82177455    -13.39916251
  H     17.15050775      4.03363105    -20.14912103
  H     11.45013093      7.79192921    -15.21017142
  O     17.83851806      3.89991405    -15.16249401
  H     16.81638958      3.93332330    -18.64293375
  H     16.39455451      2.20932424     -9.47514608
  O     13.63725179      3.33430995    -10.73237349
  H     13.05265835      6.52052895     -9.23725857
  H     15.28794503      2.99621707    -10.21977102
  O     18.85092804      9.60990526    -15.19683149
  H     14.39778443      6.08553218     -9.86344740
  H     14.31843892      6.21565310    -17.63240234
  O     16.37557493      2.92916209    -17.29643754
  H     14.12065590      3.60133382    -14.30352223
  H     13.29610654      6.38464027    -16.43114017
  O     20.26301054      5.19463867    -15.67162268
  H     15.19838496      3.95531513    -13.22527066
  H     19.35137273      8.00722675    -14.25042806
  O     17.54193819      8.04654921    -17.16068067
  H     15.84175002      7.28528777    -14.15256380
  H     19.82377497      6.54464050    -14.40077287
  O     16.27938908      6.22082396    -15.48879033
  H     14.69557356      7.46220778    -13.12660941
  H     17.18180340      4.87730792    -12.35979865
  O     12.26448860      7.29857872    -15.26667425
  H     18.73201714      4.25452172    -15.25340034
  H     16.82445045      3.50300213    -11.73308395
  O     16.24340295      2.96751633    -10.03233640
  H     17.64184631      3.79713299    -14.22108943
  H     16.27217638      4.87201019     -9.64257210
  O     13.89008100      5.77098347    -16.88572213
  H     13.70931988      3.41503352    -11.69368661
  H     16.71145431      6.17990163    -10.33065748
  O     19.51959906      7.19560498    -13.75746740
  H     13.41061289      4.21720956    -10.41528716
  H     16.01996022      6.09408094    -19.08737662
  O     16.93907497      3.96349070    -12.57253512
  H     18.05558826      9.92677626    -14.73444272
  H     16.15405978      7.45748278    -18.38930295
  O     16.11183248      5.82321091     -9.66118096
  H     19.46304864     10.34097963    -15.22216519
  H     13.53947234      5.57045285    -13.06048914
  O     15.51141596      6.86280712    -18.79606759
  H     15.48677080      2.88168697    -16.92794452
  H     13.16526495      6.42503395    -11.82451788
  O     13.20194670      6.43812416    -12.78889674
  H     16.95463382      3.15568827    -16.55397924
  H     15.80615065     10.90899338    -14.15861968
  O     16.53175229     10.32327484    -13.95752783
  H     19.93685051      5.46458928    -16.54978710
  H     16.12895549      9.47576044    -13.70640980
          69
 Energy    -249.41633733169300     
  O     14.39981226     11.35092716    -16.32545443
  H     14.70974094     10.64581518    -15.73424524
  H     17.96055960     10.25275576    -12.42023591
  O     15.00393212      7.40403545    -12.81254529
  H     13.50156158     11.54991478    -16.03466965
  H     17.65725260      8.91883565    -16.81412478
  O     15.05759187     11.31449892    -11.44296427
  H     15.12010458      8.07978410    -13.49940080
  H     18.35088364      8.77179779    -15.41666092
  O     17.07511433     12.00966752    -15.55247046
  H     15.34808366      7.78161018    -11.99231840
  H     14.72866990      8.58365704    -15.55391866
  O     13.72111857      7.72034782    -16.84748898
  H     15.78497040     11.64292864    -11.98569820
  H     16.15698077      9.14788166    -15.25018409
  O     11.34408280     11.38688319    -10.10339832
  H     14.27053801     11.22623141    -11.99575480
  H     11.06953767     12.02747441    -15.19571238
  O     12.31779013      8.10808061    -12.64542768
  H     17.45331402     11.14817490    -15.78547608
  H     12.08219226     11.34411020    -14.24886058
  O     16.71520710      5.98949828    -14.54527721
  H     16.18177307     12.01803162    -15.91468832
  H     13.98643116      8.03524151     -7.68859734
  O     11.79089488      8.52907279     -9.93712133
  H     14.30736084      6.95953570    -16.95625436
  H     13.24799447      8.47855818     -8.97380666
  O     18.99970877      7.63835304    -14.09219994
  H     13.91793540      8.33895194    -17.56327268
  H     12.21995613      8.18267727    -15.85584502
  O     15.73274791      5.79950188    -17.05141936
  H     10.70873244     11.94336970     -9.66210252
  H     11.58353789      9.50387895    -15.37545971
  O     18.16898849      9.34276193    -12.17832922
  H     12.18175438     11.46977266     -9.61221031
  H     17.25136169     12.05969722    -13.82842672
  O     17.83110575      9.36503593    -15.97174568
  H     11.95703518      8.13156658    -13.54381160
  H     17.92069934     12.75854282    -12.62410738
  O     15.24052608      9.12884878    -14.93905272
  H     13.20446032      7.72605375    -12.69575691
  H     15.60313887      9.68401932    -10.89230286
  O     11.84916726     11.47794987    -15.18401304
  H     16.09887566      6.30901881    -13.87291199
  H     15.39487827      8.61889742     -9.79459156
  O     14.07563754      8.57568888     -8.46862976
  H     17.54245197      6.46146394    -14.39077010
  H     13.96340271     10.50737309     -8.61987425
  O     11.55976128      8.54895490    -15.25172150
  H     11.88056974      8.25825936    -10.86186724
  H     14.33855033     11.51074631     -9.72839932
  O     17.35696166     12.02655084    -12.86204265
  H     11.46123532      9.43471127     -9.95830860
  H     16.58125173      7.27189098    -17.93266632
  O     15.90415539      8.81326672    -10.59006954
  H     19.89924936      7.37584322    -13.91725868
  H     16.19947732      8.66683221    -18.47968139
  O     13.79324827     11.40345142     -8.93602958
  H     18.73159213      8.22787494    -13.36338157
  H     12.04364289     11.15188005    -11.80127553
  O     16.95010135      8.11142408    -18.23615844
  H     16.10161911      5.82791725    -16.14970543
  H     12.49987600      9.91522783    -12.62054611
  O     12.52304166     10.88385039    -12.59632760
  H     15.75498255      4.88767273    -17.32826475
  H     14.31392325     10.20689417    -19.37894771
  O     14.59847623      9.76292484    -18.58410547
  H     17.50765476      9.07825424    -11.52596548
  H     14.54660441     10.41437181    -17.86503140
          69
 Energy    -249.41591000308176     
  O     -2.83761909     -0.06417993      3.98520220
  H     -2.74510376     -1.02466814      3.91908190
  H     -0.64088201     -3.23291318      8.11507264
  O     -1.53204618      3.36975319      6.24780733
  H     -2.74076566      0.17269920      4.91810651
  H      0.00171495     -1.00041344      8.13581339
  O      1.59201149     -0.16985464      1.71081018
  H     -1.06705499      3.41633826      5.39404731
  H      0.77340983     -0.53130996      6.86964997
  O      0.39540809      1.14603474     -0.46797744
  H     -2.00382658      4.19258436      6.34739097
  H     -1.68829736     -4.32973657      6.48806908
  O     -1.96965140     -0.31037766     -0.38519910
  H      0.94092167      0.07592533      2.38693569
  H     -0.26576997     -4.08277426      5.94086626
  O     -2.27852707     -2.77725095      3.79869597
  H      1.32683214      0.29192960      0.90678813
  H      0.18374307      2.84386080      7.01816836
  O     -1.46135100     -2.47453396      1.12844464
  H     -0.43864654      0.64825589     -0.48971159
  H      0.85423959      1.53668766      7.46950285
  O     -0.01848984      3.33891790      3.98082684
  H      0.60920326      1.36348059     -1.37208422
  H     -3.05050657     -0.86722709      7.38774977
  O     -0.68810329      3.13505840      1.37867782
  H     -2.61669141     -0.55807396     -1.04069357
  H     -2.42983023     -1.98889819      8.24346876
  O      0.41879374     -3.24566252      4.39787407
  H     -1.80193605     -1.10375268      0.15504184
  H     -1.09185494      0.30421703      3.71472695
  O     -3.51601064     -3.86595332      6.04854224
  H     -1.35117743     -2.91444275      4.04041528
  H     -0.11744638      1.50654774      3.81309195
  O     -0.68978576     -2.57575754      8.83245213
  H     -2.80664653     -3.21406431      4.47838569
  H      2.01998167     -3.32749778      1.25932867
  O      0.23735068     -0.22291481      7.61608096
  H     -0.53405987     -2.71504870      1.24095942
  H      1.48194330     -1.94820230      1.70595553
  O     -0.75714519     -4.30826321      6.74150132
  H     -1.88377906     -2.63430270      1.98237911
  H      3.26058201      3.56032857      5.19907990
  O      1.04429763      2.43456143      7.16711079
  H     -0.18697874      3.39668373      3.02674505
  H      2.10883036      2.71825638      5.79231970
  O     -3.21172342     -1.75704340      7.72650890
  H      0.93230438      3.33257213      4.14652921
  H      3.21831589      1.29223337      4.16175205
  O     -0.15850896      0.54831012      3.70791309
  H     -1.53895448      2.68294919      1.49683648
  H      2.99523986      0.27916512      3.01648447
  O      1.30111087     -2.90364200      1.72121163
  H     -0.20830684      2.60560407      0.73506544
  H     -2.71354703      0.87971001      0.96623619
  O      2.58663179      2.92529643      4.96862209
  H      0.76392452     -3.30439242      3.49944025
  H     -3.04297185      1.01695418      2.46401844
  O      3.46380370      0.41120623      3.85018279
  H      0.85823842     -2.48001963      4.79716270
  H     -2.14452724      1.61634971      6.54093283
  O     -2.92896448      1.52460561      1.64969265
  H     -3.49285474     -3.09386755      6.64272286
  H     -1.37974272      0.33779779      6.93673141
  O     -2.23642208      0.65894840      6.61935861
  H     -4.31690828     -4.34313111      6.24645850
  H      0.85434596     -0.38820593      4.81351683
  O      1.52231304     -0.89745509      5.30074327
  H     -0.47138901     -3.03238489      9.64027360
  H      2.36849955     -0.58970068      4.95079371
          69
 Energy    -249.41578037586879     
  O     -6.11796204      0.63374880     -0.06121296
  H     -6.10392751      0.61204691      0.90405664
  H     -0.75046214     -1.37845571      2.39073964
  O     -5.42715959      0.83518792     -4.49951527
  H     -5.57665604      1.39731292     -0.31147854
  H     -3.59407813      2.10423939     -0.35173734
  O     -5.63038990      0.74267059      2.71484924
  H     -4.99100976      0.01343554     -4.75674674
  H     -4.22452234      3.49535267     -0.14665461
  O      0.03395656     -1.50914355      0.86292665
  H     -6.10716407      0.58410037     -3.86255771
  H      2.56202710      0.60883914     -0.15874390
  O     -1.98973478     -1.33145538     -1.00882233
  H     -5.01905812      1.49646285      2.79192160
  H      1.31613046      1.39712994      0.29617776
  O     -3.99278539     -1.64939505     -4.81971961
  H     -6.21570806      0.78908865      3.46673252
  H     -0.91478189      4.30874476     -0.85879313
  O     -4.58636693     -1.76896658     -0.19499404
  H     -0.63909207     -1.61075610      0.17455543
  H     -0.30894788      5.62866501     -0.32630240
  O     -2.00839641     -0.16563797     -3.50333460
  H      0.63572294     -0.82833166      0.53921388
  H     -6.27417032     -1.70125241     -2.71556199
  O     -3.46954216      2.26990206     -3.22556227
  H     -2.89754376     -1.56478429     -0.76965184
  H     -5.20409288     -2.38029420     -1.85242191
  O      0.69621457      2.76792120      1.23855161
  H     -1.98970863     -1.03699816     -1.92952642
  H     -1.31983261      0.61069602      2.92119441
  O      0.50474519      1.06880640     -2.81382156
  H     -4.01782355     -2.30655126     -5.50977273
  H     -1.63907073      1.40548512      1.62819763
  O     -1.24459425     -1.21281063      3.21500693
  H     -4.52896418     -1.99397079     -4.08281161
  H     -3.07768830     -1.48405060      2.76254662
  O     -4.35241561      2.65711666     -0.60328155
  H     -4.37021011     -1.89875049      0.74097561
  H     -4.47469183     -0.81790922      2.65869926
  O      1.60827133      0.61362353     -0.20028285
  H     -5.09582324     -0.94965760     -0.23090622
  H     -1.56328093      1.82477259     -0.75935793
  O     -0.84977789      4.88378219     -0.07434748
  H     -2.57726482     -0.72327979     -4.04964173
  H     -1.99256207      0.36736850     -0.39224336
  O     -5.57863282     -2.37000337     -2.74344800
  H     -2.47770749      0.67325867     -3.39701336
  H     -2.53794061      4.89529962      0.63476669
  O     -1.40858138      1.50395405      2.56660948
  H     -4.16671073      1.88540679     -3.77688032
  H     -3.74454520      5.76733933      1.04177316
  O     -3.98205641     -1.62273469      2.45743498
  H     -3.87790306      2.45680815     -2.36932722
  H     -6.95488974      0.19238302     -1.59037674
  O     -2.04088461      1.29142076     -0.11294583
  H      0.24990360      3.53501017      0.86621101
  H     -8.22384711      0.01481131     -2.45100219
  O     -3.46107803      4.86260039      0.93149646
  H      0.06876337      2.38237945      1.86689322
  H     -3.76456780      3.53849972      2.32611482
  O     -7.27418804     -0.07678461     -2.46723181
  H      0.86407533      0.74264578     -1.97928558
  H     -2.96692748      2.37341456      2.93727774
  O     -3.84590042      2.77906251      2.91196231
  H     -0.19646436      0.46745124     -3.09506573
  H     -1.88111420      2.98880520     -2.63059621
  O     -1.07959354      3.13814536     -2.11138357
  H     -0.83194943     -1.73984965      3.89369433
  H     -0.40576343      2.52218710     -2.43824194
          69
 Energy    -249.41489174484835     
  O     -5.59940344      1.28112959     -0.41222986
  H     -4.93092657      1.53680982     -1.06440361
  H     -2.29669266     -0.78850999      5.03952277
  O     -5.69051973      0.73537582     -4.41522802
  H     -5.48505806      1.82607929      0.37526544
  H      0.53587821      2.34879131      2.94368589
  O     -5.21588663      2.58215329      2.03542769
  H     -6.19003334      0.99563858     -5.18399301
  H      1.71766380      1.53569295      2.38685532
  O     -0.40551685     -1.44212416      2.11178918
  H     -6.33669751      0.51156077     -3.72034279
  H     -0.41852632      4.12260543     -0.05790339
  O     -2.25852689     -1.31023090      0.01438830
  H     -5.88903427      3.06415276      2.50949474
  H     -1.52117409      3.03839286     -0.07966466
  O     -4.45011550     -1.79417602     -3.74196953
  H     -4.41563008      3.13464451      2.05093272
  H      1.56149102      0.76117326      0.01625957
  O     -5.01450263     -1.29829729      0.39736615
  H     -0.94733266     -1.17954648      2.86522414
  H      1.39599461      2.24798498     -0.40762380
  O     -2.20226527     -0.55881333     -2.63733226
  H     -1.01434137     -1.53640862      1.36612798
  H      1.44708182      3.49459328      1.27130574
  O     -3.86978819      1.71153566     -2.51950536
  H     -2.16133853     -1.20204789     -0.94238871
  H      2.09173741      4.61883010      0.42514538
  O      1.92464087     -0.18825219      1.56727947
  H     -3.20429633     -1.39632146      0.19235970
  H     -5.53457492     -2.39228394     -2.50492380
  O     -0.07739778      1.11144830     -3.17225089
  H     -4.83328788     -1.00640461     -4.14527927
  H     -6.51314766     -3.47599064     -1.99431614
  O     -2.12837506     -0.43988773      4.16860092
  H     -3.57119216     -1.52838092     -3.43818073
  H     -1.31598351      1.69956536      2.13123588
  O      1.44953168      2.42916765      2.63481810
  H     -5.22086585     -0.39413715      0.11396209
  H     -1.52970382      1.22858216      3.58679920
  O     -1.34123688      3.96795697     -0.29961721
  H     -5.43436960     -1.87971866     -0.24733251
  H     -4.72045975     -0.62611486      2.12487518
  O      1.20791228      1.33880160     -0.67389641
  H     -2.81946232      0.17602517     -2.51104922
  H     -4.72677645      0.82624205      2.65205500
  O      1.39803870      3.96513740      0.41863898
  H     -1.37264781     -0.14459165     -2.91207779
  H     -1.80972690      0.44269764      0.26928773
  O     -6.18240746     -2.60160881     -1.80796651
  H     -3.22071067      2.37833769     -2.77431767
  H     -0.52500352      1.25518793     -0.03041931
  O     -1.26503934      1.98894198      3.05592316
  H     -4.43106862      1.51099333     -3.28149550
  H     -7.06569351     -0.89961824     -2.11075203
  O     -4.46430828     -0.07463256      2.87516046
  H      1.09760522     -0.65897913      1.77755434
  H     -6.84921081      0.53263608     -1.58525873
  O     -1.41087585      1.31691236      0.35318449
  H      2.63503776     -0.80595254      1.71748487
  H     -2.46074493      4.25271222      1.29454229
  O     -7.24985018      0.02736123     -2.30684975
  H      0.48152476      1.15121458     -2.38425145
  H     -2.33550347      3.43273174      2.59319485
  O     -2.92441853      4.03026276      2.10944510
  H     -0.55810195      1.94652908     -3.19673741
  H     -1.67106448      4.30855024     -3.50492619
  O     -1.76494391      3.51917876     -2.97758827
  H     -2.99413888     -0.35167059      3.72920080
  H     -1.61856067      3.78047743     -2.05287775
          69
 Energy    -249.41470885208577     
  O     16.07568175      9.18141744     -9.93020253
  H     16.76319724      8.81075610     -9.36213751
  H     13.88770423     12.28235498    -14.33826880
  O     15.14489287      8.84975476    -14.13736779
  H     16.49994488      9.88598221    -10.44292519
  H     17.61188673     10.69450991    -14.42689150
  O     17.08324089      8.60218518    -17.04236524
  H     14.40577383      8.55455550    -13.59446635
  H     16.22492418     10.22825957    -13.94084045
  O     12.87965953     11.92052772    -15.90703861
  H     15.77384212      8.11659609    -14.15039108
  H     18.33930415      7.29733718     -9.35817090
  O     15.45354366      6.83362428    -11.39590391
  H     16.81837046      7.67817657    -16.96614396
  H     18.70029859      7.67090754     -7.90019338
  O     17.28993696     11.30820803    -11.23084668
  H     16.26061549      9.10732947    -17.09441555
  H     18.29908827      9.25717876    -15.98421072
  O     11.31800981     10.18500362    -14.53006725
  H     12.25154424     11.31169962    -15.47705661
  H     19.65314687      9.98624389    -15.81395222
  O     16.76230850      6.61470053    -13.84341439
  H     12.36020983     12.55325716    -16.39594226
  H     18.58935903      6.64418574    -11.52815855
  O     11.55001376      7.34216969    -14.86231281
  H     15.67357974      7.64895245    -10.92304484
  H     17.23795708      6.20702423    -10.93343213
  O     13.09139113      7.73646698    -12.55572782
  H     14.55102417      6.96292877    -11.71795442
  H     14.71544369      9.43395826    -15.78090921
  O     13.48356640      7.14203472    -16.74297411
  H     17.21952716     11.21134668    -12.19099781
  H     14.01696817     10.54714065    -16.58803744
  O     14.36363580     12.24177072    -13.49971408
  H     16.65607939     11.99394006    -10.98035656
  H     16.42717337      5.12216710    -16.69023141
  O     16.83741661     10.98100871    -13.93032097
  H     11.31536773      9.23602049    -14.70269375
  H     16.34563786      6.08679669    -15.48587246
  O     18.32092485      8.01783609     -8.70267076
  H     11.60502354     10.29166168    -13.61354063
  H     19.22335747      8.53078598    -12.28221070
  O     18.90940648      9.63892003    -15.32812825
  H     17.60876520      7.02993522    -13.62118883
  H     19.10581463      8.49193936    -13.82076896
  O     18.18644173      6.23679961    -10.75224625
  H     16.26343274      6.55696283    -13.01643968
  H     13.32082779     11.02758173    -12.56393657
  O     14.53400911      9.74052061    -16.68426535
  H     12.22393068      7.22275315    -15.55517420
  H     12.94358624     10.53187256    -11.14694576
  O     16.09101011      5.97231268    -16.41713115
  H     10.82308771      6.76606613    -15.08323659
  H     19.23847195      9.14692353    -10.03327230
  O     19.01972751      7.94661190    -13.02907468
  H     12.86695513      8.64193017    -12.29531932
  H     18.83475081     10.32386370    -10.93685043
  O     12.72383396     10.43708784    -12.08204253
  H     12.50594242      7.49182991    -13.28421342
  H     14.55473667     12.30486754    -10.27974353
  O     19.46177656      9.59116135    -10.85873428
  H     13.75352372      8.05534296    -16.91202829
  H     14.74631186     12.88755496    -11.69485528
  O     15.08759086     12.92444500    -10.79170894
  H     14.30316905      6.64020902    -16.66458579
  H     14.55919404     10.07971609     -9.57463783
  O     13.77822352     10.65368594     -9.50320049
  H     15.26269887     11.95471873    -13.71067174
  H     13.47254293     10.59317418     -8.60170847
          69
 Energy    -249.41464741531476     
  O     12.37344348      9.91428485    -16.63976500
  H     11.68111767      9.54372920    -16.07963338
  H     16.07812744      6.01662966    -14.02921192
  O     15.12536678      7.00883427    -12.82144175
  H     12.52134200     10.82010352    -16.34170932
  H     19.48464770      8.41321173    -11.46616778
  O     14.92308383     10.75615464    -10.88005974
  H     15.52097059      7.38202278    -12.02291752
  H     18.52421536      8.39090547    -12.67356911
  O     17.19312030     11.47226525    -14.43417406
  H     14.19777921      6.83771753    -12.61487014
  H     16.23994872     12.22995280    -15.80948991
  O     14.33003765      5.81559823    -16.38708997
  H     14.57146117     10.96539012    -11.75622902
  H     15.96314246     11.68039752    -17.21964701
  O     12.59803011      9.72252571     -9.78371282
  H     14.14729142     10.54416993    -10.34097564
  H     15.22734188      8.93348420    -15.39915939
  O     12.52001652      6.72455309    -12.00620912
  H     17.40730711     11.60535733    -13.50092620
  H     15.29491957      8.38137406    -13.93043479
  O     13.71981665     10.94954299    -13.39414002
  H     16.63196020     10.68618781    -14.45931416
  H      9.59172570      8.39178524    -15.20159853
  O     18.79303636     10.02191538    -16.26430386
  H     14.27753899      5.04744159    -16.95071180
  H     10.98488782      7.76344386    -14.95522809
  O     13.76796569      7.07851716     -9.46251847
  H     15.15909985      5.73585305    -15.88334876
  H     15.69023732      9.14251560    -10.64985125
  O     18.18692317      8.08905533    -14.42741669
  H     12.08938307      9.63662234    -10.60044714
  H     16.98986840      8.30256566    -10.80389240
  O     16.55581585      5.75720033    -14.83160769
  H     12.85549811      8.82588716     -9.54004636
  H     12.78552794      6.13299178    -15.26532039
  O     18.58545091      8.59884312    -11.72695799
  H     12.81231099      6.67697933    -11.08791877
  H     12.16684573      6.24219725    -13.83991287
  O     15.65043784     12.32175157    -16.57184433
  H     12.18566283      7.62547264    -12.13945472
  H     18.00386883     10.48421802    -11.64379800
  O     15.52229437      9.13179452    -14.49931245
  H     13.46863261     11.58803659    -14.07250179
  H     16.73286504     11.28563557    -11.28996021
  O     10.48792791      8.60204718    -14.95228479
  H     14.31667678     10.32053229    -13.82173221
  H     16.61932480     10.04411642    -19.11351193
  O     16.06240770      8.25322018    -10.54054390
  H     18.17147946     10.02093175    -17.00189281
  H     15.92117509      9.50288005    -17.84687976
  O     11.98064342      6.34920499    -14.78129382
  H     18.43803968     10.66921960    -15.63864023
  H     11.10578881      9.16192117    -13.25845805
  O     17.59881430     11.35643296    -11.71183985
  H     14.63388433      7.42534567     -9.73200441
  H     12.35337851      9.92556768    -12.77331181
  O     16.60207110     10.11997659    -18.16242509
  H     13.90818967      6.59559612     -8.65141406
  H     12.76848365     13.35509018    -15.80362535
  O     11.65269702      9.32509064    -12.48014108
  H     17.26321084      8.37160952    -14.44361202
  H     14.02523332     12.48020445    -16.03435837
  O     13.12473423     12.48288265    -15.65998650
  H     18.61307198      8.64282432    -15.09837571
  H     14.49817673      7.58193428    -16.94666018
  O     14.65328731      8.52781057    -17.05238817
  H     17.32547581      6.33626687    -14.85463794
  H     13.80162905      8.99117584    -16.98463209
          69
 Energy    -249.41408067816801     
  O     11.45671609     11.35045016    -13.18667809
  H     11.51421467     10.52610649    -12.67396532
  H     15.51359890      6.62451224    -10.85884771
  O     14.47579285      5.99413662    -13.95558345
  H     10.59504282     11.72257128    -13.01687239
  H     12.90708403      9.01443234    -12.17483618
  O     16.09088367     11.88855999    -14.55489978
  H     14.84855106      6.78212067    -14.38177241
  H     12.03734155      9.02683422    -10.90036785
  O     12.72356384      9.19753037     -9.15014763
  H     14.92768904      5.23931965    -14.35250026
  H     20.32503112      4.15761797    -12.39976747
  O     16.76878496     10.35067421     -9.14152869
  H     15.61108859     11.46340928    -15.27590868
  H     18.78211261      4.23955196    -12.51041757
  O     12.28857358      9.83851835    -15.49056215
  H     15.43876404     12.08555385    -13.86912524
  H     14.61805651     10.52068923    -17.47406730
  O     18.53049631     10.95306088    -13.89768360
  H     13.55914170      8.74932804     -9.36700609
  H     13.78590532     10.22130245    -16.20241323
  O     14.15107399     12.01783404    -12.55216157
  H     12.43529902      8.85032905     -8.30989848
  H     12.73745609      6.78145092    -14.11422224
  O     18.49556267      5.47284161    -15.23424882
  H     17.35406677     10.23476120     -9.91299358
  H     11.79886569      7.73128511    -13.34123484
  O     17.14926934      3.63898882    -12.33123626
  H     17.33165324     10.56175662     -8.40192152
  H     15.34111867      8.94827393    -15.59255801
  O     16.19671835      4.01459735    -15.00937455
  H     12.15728859      8.93817803    -15.15805120
  H     16.57452786      8.27241299    -14.90614554
  O     15.82342483      5.97096818    -11.49759637
  H     11.93445227     10.43054361    -14.81870532
  H     15.03720590      8.59804346    -10.92688891
  O     11.98791775      8.99795095    -11.86269281
  H     17.65497873     11.31153090    -14.13011061
  H     15.77221472      8.83657118     -9.58934080
  O     19.61194979      4.71778960    -12.69248229
  H     19.16838324     11.62638379    -14.11879639
  H     13.65415495     10.92826714     -9.54078011
  O     14.68874333     10.38726113    -16.53319488
  H     14.19298247     12.01406927    -11.58335187
  H     15.15165626     11.27650709     -9.57511916
  O     11.98222233      7.37404468    -14.21846559
  H     13.22059984     11.95519686    -12.80008963
  H     18.91280009      6.37451874    -12.14956365
  O     15.60894740      8.27964018    -14.95087897
  H     19.01553520      5.19720002    -14.46855374
  H     17.44777127      6.76082955    -11.83923985
  O     15.14996386      8.24306340    -10.02828542
  H     18.50087365      6.43791322    -15.21899406
  H     14.61276091     10.23127202    -12.56414857
  O     14.27938778     11.59858875     -9.83752920
  H     16.76807022      3.58720650    -13.21688360
  H     15.01291432      8.95321909    -13.36314028
  O     18.32364558      7.12843747    -12.02236678
  H     16.65237779      4.33513114    -11.87877555
  H     18.39517958      8.89308429    -11.44799790
  O     14.67400452      9.26813172    -12.51704411
  H     16.99471977      4.54909373    -15.17062114
  H     18.39268130     10.28462566    -12.12021684
  O     18.31983150      9.83982776    -11.26819492
  H     16.11025706      3.42052503    -15.75017708
  H     18.34196807      7.84878560    -13.68596391
  O     18.33642693      8.23404893    -14.57564598
  H     15.25680314      6.02457786    -12.28100062
  H     18.51264944      9.17633527    -14.46059667
          69
 Energy    -249.41385098026484     
  O     16.00071566      4.94571750    -16.35635259
  H     16.22826376      5.88393293    -16.36393258
  H     17.50511083     11.45056984    -13.93975069
  O     17.86292953      5.83704565     -9.62366044
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  H     16.34271789     10.98197582    -17.40059456
  O     19.92334943      9.47975131    -13.55010986
  H     17.87201397      5.52753705    -10.53807537
  H     16.90989351     10.78409361    -15.97316523
  O     16.82015490      3.28510396    -14.36497572
  H     17.95954517      6.79952294     -9.65936250
  H     16.91666162      8.21968321    -12.87166415
  O     13.22294102      9.61079607    -10.43974622
  H     20.87405867      9.51661603    -13.61334734
  H     15.46257824      8.28709096    -12.30581182
  O     15.36722036      5.67955706     -8.58321508
  H     19.68684687      9.85199059    -12.68112376
  H     13.44396522      4.43386913    -14.89641309
  O     13.77520493      7.55068733    -12.25262243
  H     16.60944028      3.87314136    -15.11264419
  H     12.47580611      4.42400776    -16.10395850
  O     19.06335284     10.56915633    -11.21446664
  H     17.28799204      2.53706460    -14.72607505
  H     14.89385120      5.28395132    -10.32498637
  O     15.18351644      8.57116727     -8.50510055
  H     13.41909322     10.31070641    -11.08283054
  H     15.72343376      5.24185061    -11.63845784
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  H     12.41339506      9.86511168    -10.00139904
  H     16.51820211     10.45607243    -12.33167475
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  H     16.29866778      5.69360309     -8.87299936
  H     15.66942974     11.72477701    -12.28206928
  O     18.00539398     11.24339449    -14.74166317
  H     15.33527341      5.15268593     -7.78918787
  H     16.89613264      8.73002744     -9.18363509
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  H     14.05150277      6.71551497    -11.84747139
  H     17.21116909      8.60791899    -10.67637301
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  H     13.20989068     12.34390957    -12.56331390
  O     13.20106599      4.90447229    -15.71441474
  H     18.73290381      9.93534052    -10.56249108
  H     13.78492108     11.10974712    -13.29159578
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  H     18.29736037     11.10196787    -11.46288049
  H     13.40163459      6.70347302    -15.29032727
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  H     14.54003996      8.91116855     -9.13640680
  H     13.65575991      7.53320766    -14.00325122
  O     17.63181774      8.62919644     -9.80352335
  H     15.09888668      7.60915750     -8.50970837
  H     14.20553579      4.10341079    -12.66444873
  O     13.70197583     11.53927847    -12.42014151
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  H     15.00388585      3.35387475    -13.74516588
  O     13.68939492      7.56724354    -14.97189233
  H     15.40684888      7.65923884    -15.58061091
  H     14.69705285     10.50714369    -15.45495097
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  H     17.72920204      5.91741407    -12.88115540
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  H     17.57932540      7.49578696    -14.70618414
  O     18.10939977      7.36066612    -13.90708275
  H     18.74166105     10.69081365    -14.45627203
  H     18.80148379      8.03344424    -13.87125810
          69
 Energy    -249.41317399454618     
  O     -3.37132510      4.08457033     -0.41969996
  H     -2.40703214      4.05365484     -0.35863655
  H     -1.65374197      5.68719389      6.37289777
  O     -4.34693664      7.03544885      7.16934206
  H     -3.73209705      3.59920875      0.33269153
  H     -2.79037105     11.40898773      1.12268749
  O     -2.75492386      8.98517889      3.70365158
  H     -4.85548080      6.80652257      7.94207868
  H     -3.11638244     10.00336049      0.56805478
  O     -2.68248377      7.67744213     -2.94149254
  H     -3.70182922      6.31836706      7.02984581
  H      0.19034319      3.91133869     -0.48318440
  O     -4.68805250      7.11061033      4.37779184
  H     -1.89866003      8.54166342      3.61585502
  H     -0.55025557      5.27227014     -0.56103765
  O     -6.51744299      8.31173311     -0.42924546
  H     -2.83678328      9.56787904      2.93987161
  H     -6.83310139      6.75652055     -1.16913698
  O     -3.69583901      6.60278531      0.84982571
  H     -3.28199006      6.91283117     -2.86222978
  H     -7.77053754      5.82855667     -1.97371955
  O     -4.57804825      3.03306356      1.89786286
  H     -2.56210875      7.83775813     -3.87322035
  H     -0.14873798      8.48601232      1.76443582
  O     -4.33202572      5.56526830     -2.56272045
  H     -4.04152673      7.78117660      4.10959348
  H     -1.05244250      9.45761468      0.99151461
  O     -0.31597091      7.64378209      3.48369750
  H     -4.73737351      7.13362917      5.34059483
  H     -3.05645747      8.42122850      6.83680634
  O     -6.17844501      7.11915728      2.05816826
  H     -6.51334900      8.05723391      0.50561741
  H     -2.50761834      9.14586364      5.58903126
  O     -2.46759731      5.18320924      6.49907552
  H     -5.63756888      8.66485652     -0.60769942
  H     -2.69289617      4.88328675      3.32330049
  O     -2.69618752     10.47764921      1.30570332
  H     -4.56009721      6.72628589      1.26468481
  H     -3.95677116      5.45757278      4.01727825
  O     -0.58445528      4.37352639     -0.17816207
  H     -3.72395375      5.79677826      0.31802311
  H     -6.13987659      4.02727919      1.28157595
  O     -6.93833953      5.84925404     -1.50769889
  H     -4.71913948      2.15007598      2.23129462
  H     -6.84744764      4.87742573      0.18538401
  O     -0.35154879      8.80654705      0.87679851
  H     -4.23124966      3.55656942      2.63891795
  H      0.38827954      7.18493818      6.89332706
  O     -2.29651232      8.91510286      6.50368902
  H     -3.96762904      4.92185670     -1.93992540
  H     -0.95709656      7.77838897      6.41060323
  O     -3.46312407      4.63976530      3.85903699
  H     -5.25812904      5.66569858     -2.30978910
  H     -0.49436226      7.57700461     -0.45563551
  O     -6.85969683      4.64801552      1.12359356
  H     -0.64883489      6.84161148      3.05179220
  H     -1.24988901      7.18763595     -1.75943171
  O     -0.30641293      7.07112993      6.24972341
  H     -0.15602871      7.41897516      4.40770567
  H     -3.37217461      8.66965811     -1.52672486
  O     -0.61639985      6.87069219     -1.10723481
  H     -6.53568736      6.23550848      1.87757449
  H     -3.65421133      8.09402706     -0.12594512
  O     -3.72873796      8.90100444     -0.66086123
  H     -5.82712063      7.13270360      2.95718606
  H     -2.22207843      6.06456898      1.73074027
  O     -1.51085696      5.56835274      2.16788318
  H     -2.71850991      4.83505313      5.63444457
  H     -1.05972421      5.07346329      1.47406499
          69
 Energy    -249.41291041760365     
  O     10.06600058     10.47070730    -10.75375938
  H      9.29206562     10.38525466    -10.20380794
  H     12.48015122     12.25994212     -9.46570129
  O     14.55843456     10.86083587    -12.58104367
  H     10.78446789     10.79420962    -10.18078179
  H     11.46977406     10.70988861    -17.44817375
  O     17.04036099     13.34841057    -14.18405290
  H     15.44450420     11.17459418    -12.36106152
  H     10.34411143     11.27383967    -16.56481707
  O     15.97853209      7.84045043    -13.16530159
  H     13.97883660     11.63146324    -12.59965114
  H     13.91198704     13.47129960    -14.24470199
  O     10.74231260     11.56671285    -13.22511181
  H     17.38310364     12.69588406    -14.80526639
  H     13.69784975     13.81688249    -15.73623757
  O     12.30006548     13.83608051    -16.87598839
  H     16.15718058     13.57863946    -14.50363293
  H     18.63421276     10.93256345    -16.23416823
  O     15.15373834     11.36006597    -16.59616428
  H     15.41654232      8.14260875    -13.89314523
  H     17.92752815     10.44257793    -14.95316698
  O     14.47568674      9.84012133     -8.79699214
  H     15.41223649      7.86693364    -12.38390845
  H     14.30521481     13.31338761     -9.88972591
  O     12.98565056     13.12315590    -12.72364644
  H     11.07291509     10.77967174    -13.68524515
  H     13.52003737     14.61617276     -9.60124657
  O     14.33007546      9.33551675    -14.84920352
  H     10.39764566     11.26250380    -12.37622692
  H     16.30086663     12.14356574    -10.34509166
  O     18.12775049      9.46345916    -13.40009245
  H     12.46594283     13.11415618    -17.49435744
  H     15.39340106     11.44586369     -9.29843454
  O     12.11205757     11.39301091     -9.25667836
  H     11.48032807     13.60632605    -16.42051867
  H     11.19459838      9.54368382    -15.41568977
  O     10.71502873     10.45057992    -16.90509125
  H     16.09148685     11.21168759    -16.42741933
  H     12.52275816      9.20244763    -14.69516006
  O     14.37261000     13.56208024    -15.08992246
  H     14.88443324     12.10857103    -16.04038410
  H     13.81379509     11.35738687    -17.79087861
  O     17.82601975     11.01137381    -15.73197404
  H     14.67593779      9.25147265     -8.07395524
  H     13.26397492     11.32104650    -19.23359951
  O     13.46002636     13.77437465    -10.04459751
  H     14.36133213      9.28530057     -9.58786664
  H     11.41202241      8.42967056    -12.87731678
  O     15.68859033     12.30844538     -9.61600737
  H     12.14078185     12.66567917    -12.83624287
  H     10.92400581      8.88933643    -11.49254611
  O     11.56861067      9.28321953    -14.56162337
  H     13.05751134     13.43612473    -11.81303309
  H     17.14123950     12.42234598    -12.66238478
  O     13.00584068     11.44291960    -18.32321053
  H     14.42048522      9.87866180    -14.04891011
  H     17.58169161     10.97067868    -12.33011569
  O     11.46221745      8.22240970    -11.93432028
  H     14.57703419      9.91479253    -15.57895728
  H     10.16457655     12.47445971    -14.67402950
  O     17.12634373     11.74052402    -11.97124513
  H     18.90583876      8.98114694    -13.13195650
  H      9.09019380     13.27165864    -15.44451153
  O      9.95199334     12.87194756    -15.53399341
  H     17.37574716      8.85210057    -13.30039630
  H     14.23071555      9.39561470    -11.62885802
  O     14.07694923      8.55934175    -11.16114971
  H     12.86393702     10.83657366     -9.02101378
  H     13.16787374      8.30106254    -11.37373914
          69
 Energy    -249.41265185040180     
  O     11.68464593      9.97652542    -10.83351703
  H     11.21575811      9.25452505    -11.27156478
  H     14.51841014      6.72695449    -17.50706965
  O     13.74590306      7.12442140    -14.59906542
  H     12.03504679     10.53223922    -11.53952519
  H     18.03497440      5.25809471    -16.46127123
  O     17.68315675     11.19427666    -11.10340937
  H     13.96579364      6.63270854    -15.40157255
  H     17.36011443      5.95877828    -15.26130551
  O     17.09679172      8.59746529    -17.26888191
  H     14.50192867      7.68797304    -14.37955625
  H     15.47995804     11.55973938    -15.37246941
  O     11.75406111      8.97801890    -14.49734200
  H     16.76524863     10.91634689    -11.26668021
  H     14.78852364     12.91270705    -15.65625533
  O     16.18497904      6.88153757     -9.67413199
  H     17.64143517     11.98690634    -10.57477936
  H     15.68533967      9.10724781    -12.96180176
  O     13.22956042      6.31841147    -12.04244494
  H     16.24450646      8.54931521    -17.72159942
  H     16.25226935      9.25244543    -14.39638338
  O     15.19038751     10.21695033    -11.61389264
  H     17.28140537      7.70562258    -16.95329311
  H     18.78703600      7.10983709    -13.02810689
  O     14.48547455      8.39895283    -18.37561285
  H     12.44742980      8.31081484    -14.63011768
  H     20.32490196      7.18782479    -12.89217138
  O     15.70034989      4.98554887    -11.48902613
  H     11.17323543      8.60034457    -13.82869427
  H     11.53370743      7.06810043    -12.07855929
  O     16.93466172     10.59228404    -15.43007124
  H     16.94828021      7.45970281     -9.82038956
  H      9.99492523      7.05212810    -11.97713538
  O     14.59724805      5.96575515    -16.91619581
  H     15.40858590      7.44908524     -9.59896749
  H     19.19472660      9.51125098    -13.35387594
  O     17.38298479      5.91556926    -16.23042713
  H     13.37869797      6.54981244    -12.97300289
  H     18.57230072     10.76852971    -12.72178211
  O     14.62672553     12.02699133    -15.34108336
  H     13.95951272      5.73462174    -11.80613144
  H     16.77269805      7.12008376    -13.55700676
  O     15.88828209      8.61657997    -13.76793769
  H     14.80067488      9.57491454    -11.00480633
  H     16.75155857      5.73927279    -12.84617208
  O     19.52215057      7.69038954    -12.77537785
  H     14.46275260     10.59552433    -12.12720621
  H     18.81874316      8.21722405    -11.07194223
  O     10.73784529      7.61250954    -12.18910979
  H     14.20220519      8.55077944    -19.27344308
  H     18.16948683      9.46214793    -10.45401198
  O     18.90941110     10.41056233    -13.55325655
  H     13.96015286      8.99578468    -17.81417883
  H     12.45763920      9.75765302    -16.10257843
  O     17.24178023      6.27245524    -13.48328818
  H     15.80210129      4.11961496    -11.10338464
  H     13.57698439     10.79053769    -16.34552938
  O     18.31868940      8.52108776    -10.30550441
  H     15.91964945      5.63254800    -10.79091827
  H     13.05078661      8.94909632    -10.16735299
  O     13.08041927     10.07824122    -16.76609996
  H     17.71117137     10.61068195    -14.85038046
  H     13.61733580      7.64323956    -10.76673023
  O     13.80853420      8.34720889    -10.13182696
  H     17.09200054      9.96141239    -16.14949923
  H     13.56872360     11.53243562    -13.86520458
  O     13.07909729     11.06701298    -13.17510385
  H     15.54216857      5.84290179    -16.76292564
  H     12.60275535     10.35530273    -13.62639692
          69
 Energy    -249.41261062879309     
  O     -6.53787745     10.19547261     -9.19232194
  H     -5.70672753     10.67364631     -9.33075671
  H     -3.28873518      6.09307687     -9.32253982
  O     -4.69542719      4.18571672    -10.88046791
  H     -6.49120081      9.85411734     -8.28745292
  H     -9.69305861      9.89727661     -9.92384586
  O     -2.96619990      9.50058704    -11.71802122
  H     -3.90164755      4.58181743    -10.48644484
  H     -8.25561614      9.69714572     -9.40060907
  O     -6.47513391      9.06170559     -6.63792130
  H     -4.39357787      3.63209641    -11.59757705
  H     -3.54108270      8.44203401     -8.20108981
  O     -6.85241627      6.03824447    -11.44027600
  H     -2.43859201      9.76905126    -12.46548423
  H     -3.15852825      9.01445047     -6.82813030
  O     -5.57673404      8.53432568    -11.28468062
  H     -2.38956123      8.95988269    -11.15039583
  H     -2.59951602      3.37825257     -6.56810008
  O     -3.95756800     11.06676671     -9.49427599
  H     -6.58453337      8.16142063     -6.98387207
  H     -3.86610676      3.71443181     -7.39121895
  O     -6.78076629      6.54362998     -7.71559974
  H     -5.68293198      9.04762833     -6.08972525
  H     -1.62342487      7.08180929     -9.86841301
  O     -4.45695727      5.94626522     -5.26813319
  H     -6.14281017      5.41014669    -11.26378876
  H     -1.74044435      8.42346279     -9.11870095
  O     -9.76865815      4.62533519     -7.78749560
  H     -6.43016161      6.90157063    -11.54919773
  H     -9.49939758      7.16428419     -5.84255834
  O     -9.24285872      8.73775848     -6.56660160
  H     -5.96502763      9.15256737    -10.65008624
  H    -10.27032804      6.36902409     -4.76781695
  O     -2.61290186      5.40699568     -9.46651266
  H     -4.72358060      8.89604612    -11.56028708
  H     -5.24801710      3.44213398     -9.18000589
  O     -9.14453598      9.30528308     -9.41448390
  H     -3.55499577     10.52950900     -8.79728477
  H     -6.16338289      3.02306412     -7.99297915
  O     -2.94207728      9.06941464     -7.76497426
  H     -3.57705056     10.73395734    -10.31504526
  H     -8.24533126      1.95594810     -7.07059686
  O     -3.07619299      4.10061111     -6.96945132
  H     -6.87425513      5.90468903     -7.00128447
  H     -8.57328533      3.41038869     -7.48154970
  O     -1.46535597      8.02894011     -9.95821245
  H     -7.53099012      6.45651073     -8.31715541
  H     -3.81082803      8.87279761     -4.31636426
  O     -9.60662493      6.28137866     -5.44719525
  H     -3.93975425      5.35776567     -5.83108180
  H     -4.18167281      7.65637727     -5.19695301
  O     -5.24608196      3.14823528     -8.26156489
  H     -5.33819300      5.55785878     -5.20171749
  H     -5.30415308      6.88214926     -8.55368493
  O     -7.85551123      2.81713232     -7.19536546
  H     -9.85393918      5.18214921     -7.00400546
  H     -4.89154737      7.63337110     -9.85193275
  O     -4.07325573      8.62502716     -5.19867983
  H     -9.57109082      5.22420799     -8.52177526
  H     -8.20146057      6.27911949    -10.32857662
  O     -4.54769770      7.22649248     -9.04786477
  H     -8.32387344      8.99620027     -6.40852687
  H     -9.01006036      7.42833150     -9.64045920
  O     -8.82059311      6.48347947     -9.60947758
  H     -9.40058587      8.93987026     -7.49538682
  H     -7.95648708      5.37526377     -5.30365374
  O     -7.11537359      4.92116655     -5.45208022
  H     -2.54804126      4.94195355     -8.62384054
  H     -7.32088668      4.09129145     -5.90240318
          69
 Energy    -249.41243797785671     
  O     -3.38245860     -0.69452891     -2.49993734
  H     -2.69347987     -1.28918538     -2.15751043
  H      0.59690115     -3.54483611      0.87739082
  O     -1.40067240      3.37670335      2.96490801
  H     -3.30751074     -0.71242743     -3.45122343
  H      0.26685840      2.87475756      3.11413291
  O     -1.70996748     -3.14634540      3.55490243
  H     -1.95395245      2.68592490      3.35216408
  H      1.74682473      3.19564872      3.43286611
  O      0.68519498     -2.27079643      2.28901958
  H     -1.63344769      3.42804207      2.02924488
  H     -1.43439270     -1.15992537      6.13749749
  O     -3.42948157     -3.77168813      0.33433233
  H     -2.53794507     -2.76392052      3.22193575
  H     -1.49926524     -1.74469895      4.71416498
  O     -7.27285199     -0.97215388      0.34789054
  H     -1.65529134     -4.02280308      3.15596567
  H     -2.74035044      0.79571148      2.93831460
  O      1.12030128     -0.18374649      3.98780677
  H     -0.12245673     -2.59085571      2.71223291
  H     -2.42631161      0.48632815      4.41997345
  O     -1.61218967     -5.42009537      1.82490596
  H      1.02810861     -1.57414337      2.86929478
  H     -0.12109533      2.48979925      0.19204530
  O     -5.91851971      1.50576154      0.58126205
  H     -2.93443274     -4.48697904      0.74774735
  H      0.96003644      2.13531826      1.23222087
  O     -0.23825433     -0.62938190      0.28195181
  H     -3.69438045     -3.18770180      1.06245510
  H     -4.49542170      1.61166484     -0.42305746
  O     -1.58176190     -2.39822421     -1.30733247
  H     -8.12076270     -1.19090785     -0.02931550
  H     -3.57207339      0.86783033     -1.46157753
  O      0.22764676     -4.18624689      0.25394057
  H     -6.60500065     -1.46069663     -0.16521747
  H     -6.23069264     -0.19586152      3.27750141
  O      1.17125625      2.51512241      3.09336226
  H      0.30077932     -0.28436063      4.48531987
  H     -6.81258169     -1.10740093      2.17578991
  O     -1.41800165     -0.91669313      5.21414544
  H      1.16248990      0.73877637      3.70673440
  H     -3.06605013      0.59696446      0.62347902
  O     -2.86104013      1.12536065      3.84413628
  H     -1.47151922     -6.35989605      1.90159491
  H     -1.77179141     -0.15579797      1.02527369
  O      0.65618924      1.93642770      0.33768193
  H     -0.90680646     -5.07684031      1.24712311
  H     -4.81933556     -1.82811386      2.71849753
  O     -3.60710553      1.58368947     -0.81610977
  H     -6.44905325      0.70748144      0.46283903
  H     -3.54593823     -1.28664608      1.99410699
  O     -6.41204402     -1.11754879      3.05552811
  H     -5.81460891      1.61849047      1.53356423
  H     -4.78324121     -2.91331449     -0.68297308
  O     -2.65209170      0.09623351      1.33567027
  H      0.17950450      0.24238055      0.23060193
  H     -4.77170309     -1.69717525     -1.62894240
  O     -3.93434071     -2.06799009      2.41394060
  H      0.18784180     -1.14176854      0.98208679
  H     -5.87366166      2.28630340      4.01535227
  O     -5.34997027     -2.24092549     -1.08168178
  H     -1.08774833     -1.74969438     -0.77991213
  H     -4.62010267      1.45854070      3.66285825
  O     -5.55435226      1.59688368      3.43791979
  H     -2.19084203     -2.86621978     -0.71780758
  H     -2.44085335      2.81146399     -0.26495894
  O     -1.79761514      3.43204873      0.11496170
  H     -0.17883804     -3.67571659     -0.45401631
  H     -1.89694846      4.25051264     -0.36604253
          69
 Energy    -249.41242900312696     
  O      3.24465196     -0.57712114      1.00211210
  H      2.83249389      0.11516026      1.53578249
  H      6.95724922      0.97140867      1.37932247
  O      8.60175345      3.45385178      1.07571096
  H      2.84886759     -0.53048692      0.11929337
  H      6.18520227     -2.62281687     -0.77382250
  O      2.32734123      1.65010489      2.50983902
  H      9.45858271      3.68149915      1.42745187
  H      7.02589543     -1.91846796     -1.84883900
  O      6.74440496     -3.15763665      0.98316724
  H      8.38705526      2.56601649      1.41006328
  H      4.00278825     -2.16469146     -3.96128461
  O      4.81838537      1.28922969     -3.80924323
  H      3.13789513      1.93724675      2.97270628
  H      4.89633609     -1.76374362     -2.76464516
  O      8.65206882     -0.92624575     -1.98647991
  H      1.59563410      1.82363976      3.09434258
  H      4.43205777      5.31537070     -1.24185360
  O      3.55504144      2.75245481      0.27002738
  H      7.07970898     -4.03424257      1.15346992
  H      4.35241764      4.28083182     -0.10865395
  O      6.94399611      1.15908202     -2.08464264
  H      7.51336612     -2.55932338      0.97662484
  H      3.34548574      5.91300171     -3.59794149
  O      2.36421178     -0.22878783     -1.58833018
  H      4.61272733      0.34603557     -3.83486937
  H      4.44678787      4.84068882     -3.42925436
  O      5.89179482      3.96334367     -3.93017215
  H      4.09152666      1.71377007     -3.32862331
  H      4.86033829      0.19814638      0.47011847
  O      4.63926918      2.44277446      3.59961136
  H      8.10441101     -0.12396293     -2.05651467
  H      5.92608487      0.74359303     -0.56155545
  O      7.74780030      1.01025179      1.94249123
  H      9.28506654     -0.89204524     -2.69855554
  H      5.64895241     -2.25235084      2.19619790
  O      6.14410223     -2.26657275     -1.66874652
  H      4.32680691      2.16932687      0.32647092
  H      4.36225645     -1.40754555      2.20909058
  O      4.22851358     -1.43367663     -3.39191798
  H      2.98019244      2.51034637      1.00464462
  H      7.80115186      3.74752158     -0.59443393
  O      4.86819529      5.03878617     -0.42808271
  H      7.09016356      2.07452473     -1.80807539
  H      6.40922135      4.25123707     -1.03325406
  O      3.64160085      5.21061637     -3.02520393
  H      6.22920000      1.16589243     -2.73591727
  H      8.53429299     -0.53644996      1.22682719
  O      5.56036529      0.84834974      0.32498391
  H      2.92544035     -0.69845729     -2.21782139
  H      8.87469437     -1.19590236     -0.13216407
  O      5.10762129     -1.68474414      2.75858249
  H      2.30114330      0.67531757     -1.91601723
  H      2.87467173      3.45384887     -2.67333229
  O      7.20469890      3.80029866     -1.35176791
  H      5.63440389      3.04577358     -4.08628429
  H      3.00858844      2.58172609     -1.41750530
  O      8.77978288     -1.37378833      0.81234000
  H      6.50907292      3.95093417     -3.18794309
  H      5.65969738      4.81979722      1.38450745
  O      2.79493156      2.54449410     -2.36268660
  H      5.14155802      3.13030784      3.13944224
  H      6.95663273      4.15266544      1.85676825
  O      6.06493764      4.38203862      2.14166479
  H      5.26143507      1.75518820      3.86089498
  H      5.89048441     -0.48183502      3.73247117
  O      6.35727551      0.22371465      4.21737749
  H      7.44318188      0.78071900      2.82919591
  H      6.49820426     -0.09800879      5.10331768
          69
 Energy    -249.41239417706944     
  O     10.84697881      9.91768830    -11.02347750
  H     11.69971721     10.23062902    -11.36860478
  H     14.49770250     12.09972442    -14.60306191
  O     13.45581685      7.48066557    -15.19270998
  H     10.47290866     10.64089246    -10.52603036
  H     14.79111440      7.98815912    -14.03415894
  O     17.57369549      8.94088546    -10.17194546
  H     14.08026664      7.47112888    -15.92848915
  H     16.19445633      7.40203499    -13.82989305
  O     12.21516174      9.87206797    -14.61906889
  H     12.99895654      8.33227873    -15.16021609
  H     11.85025067      6.85349237    -10.27939694
  O     15.80323133      4.56207087    -10.51185609
  H     17.67540768      9.45537999     -9.37520888
  H     10.93542591      8.09466700    -10.45803670
  O     12.75839399      5.62732004    -13.29089685
  H     16.62268023      8.91642891    -10.37038495
  H     20.22636527      6.37809224    -13.47389514
  O     14.96848919      8.65782337    -10.97977811
  H     11.34284642      9.51602179    -14.39334452
  H     19.25002180      7.53265432    -13.14337052
  O     16.16094784     10.15582297    -16.84493907
  H     12.63332282     10.10591233    -13.77893749
  H      9.29343159      5.46745694    -12.54478855
  O     15.34177263      4.44085205    -13.34681240
  H     16.58783088      5.13348930    -10.59504349
  H     10.27926441      6.38957949    -11.78641898
  O     17.05141477     10.38743586    -14.24725804
  H     16.05050495      3.83553776     -9.94622008
  H     18.44750091      9.72094945    -13.25417010
  O     15.67575777      7.29050150    -16.91685681
  H     11.80182354      5.64676388    -13.16674143
  H     18.56869861      9.21607196    -11.79785700
  O     14.87311117     12.09726750    -13.71529640
  H     12.95706400      6.24922101    -14.00638479
  H     16.46048285      5.39294332    -14.33566469
  O     15.60987079      8.11252956    -13.53835565
  H     15.26197048      8.46815562    -11.88697016
  H     17.84755146      6.13374366    -14.37895993
  O     10.92783397      7.13595135    -10.34542585
  H     14.45348275      7.88423532    -10.71508515
  H     17.87782120      7.09558515    -10.52521470
  O     19.30582787      6.57595606    -13.32371446
  H     15.99145899      9.21101273    -16.93836140
  H     18.43805486      6.21330636    -11.65937748
  O     10.03821259      6.04988285    -12.66774372
  H     15.30002436     10.58604150    -16.76407863
  H     13.12357896     12.04901179    -16.84392260
  O     18.98542357      9.17179994    -12.66669467
  H     14.41351288      4.70260732    -13.40160696
  H     13.06293928     10.93392711    -15.77745188
  O     16.98734039      6.05718389    -14.80992113
  H     15.53418610      4.37282694    -12.40418679
  H     13.31750508      6.09133073    -11.60591426
  O     17.93438399      6.18446902    -10.83753791
  H     16.53716255      9.62239588    -13.94971187
  H     14.29582903      5.65837524    -10.49218511
  O     13.66848311     11.49053932    -16.29460502
  H     16.92478082     10.41093872    -15.20682091
  H     13.84059553     11.23028069    -12.55835040
  O     13.58605712      6.28073618    -10.69409675
  H     16.20116256      6.84260706    -16.23204835
  H     13.87253838      9.97170924    -11.63695291
  O     13.28382536     10.58431670    -12.09730740
  H     15.80194024      6.79464962    -17.72246027
  H      9.92201786      7.84809613    -13.36826323
  O      9.96459630      8.79880584    -13.52556603
  H     15.72196563     11.64252167    -13.80417675
  H     10.10807139      9.19936428    -12.65823996
          69
 Energy    -249.41232205783587     
  O     12.57649600     11.54523456    -10.76309652
  H     13.25784601     11.72052718    -11.42345974
  H     13.79409732      6.28193974    -17.26020991
  O     12.76885348      7.72367613    -14.71084347
  H     11.77042899     11.34557821    -11.25698796
  H     15.91805338      5.81585421    -16.38726230
  O     18.43246041      8.40715902    -11.67530129
  H     12.66332300      7.29529734    -15.56879008
  H     15.96804205      6.66701346    -17.67732559
  O     16.63952825      8.30747814    -18.35087822
  H     13.69913220      8.00067535    -14.65379261
  H     15.27692749     11.86605578    -15.72768212
  O     12.23665273     10.41428015    -14.28107551
  H     17.62047838      8.93680868    -11.75974446
  H     16.32064007     12.99043055    -15.51207557
  O     16.72455963      6.26333706    -10.74800161
  H     19.01843918      8.89253732    -11.09953810
  H     15.87156782      8.92304197    -15.08092985
  O     13.02041954      6.53846587    -12.22104930
  H     16.91200250      8.83289722    -17.57904722
  H     15.58887616      8.83889501    -13.55446057
  O     15.99745156      9.61133138    -11.93601394
  H     17.30388891      8.44074360    -19.02189723
  H     12.65655142     10.27340985     -9.57422250
  O     13.91333410      9.15049470    -18.13258451
  H     12.32836850      9.46773556    -14.46033702
  H     12.45147889      9.78526912     -8.11844779
  O     15.24299225      4.73046804    -12.42300535
  H     11.49747694     10.50734120    -13.66855819
  H     18.11725696      7.12941016    -14.57358041
  O     17.25273936      9.67852718    -16.07720220
  H     17.41795663      6.86109522    -11.04950452
  H     18.70330389      8.08145191    -13.52058361
  O     12.87124602      6.59580634    -17.25850404
  H     16.01376332      6.82803951    -10.41231711
  H     11.48314860      8.49212115    -10.20523489
  O     15.49687009      5.94200019    -17.24748877
  H     12.86199823      6.90608030    -13.10305927
  H     11.57262349      7.49229735    -11.37977485
  O     16.07475896     12.11619316    -15.22083326
  H     13.66399327      5.82758985    -12.32830933
  H     16.10018639      6.83562387    -14.53730349
  O     15.34475770      8.46907775    -14.41215339
  H     15.47535146     10.38196253    -12.19563678
  H     16.15683839      5.41539181    -13.95225063
  O     12.63420345      9.48362602     -9.00376688
  H     15.45899479      9.07998863    -11.33114612
  H     13.83200720     10.61190786    -17.09037094
  O     18.63883661      7.93622293    -14.47242889
  H     14.81899371      8.88574531    -18.33447166
  H     13.14714301     11.10683476    -15.79467122
  O     11.00664487      8.16245555    -10.97757849
  H     13.45222974      8.33899657    -17.89244204
  H     13.96254236      7.47900180    -10.98372507
  O     16.54124516      5.97737975    -14.63416188
  H     15.82530003      5.21066192    -11.80643584
  H     13.92979296      8.43646685     -9.75560579
  O     13.82782841     11.33011371    -16.44078369
  H     15.26930639      3.81232648    -12.16564524
  H     15.00773879     11.90797425    -13.64243823
  O     14.51786210      7.94060666    -10.33792385
  H     17.05186139     10.55194947    -15.72154221
  H     13.67096718     11.16215525    -13.42290259
  O     14.40163010     11.59896331    -12.95855826
  H     17.85415104      9.19835139    -15.48500540
  H      9.40481246     10.64022917    -12.18111328
  O     10.34586870     10.49289680    -12.21764217
  H     12.37476883      5.99531252    -17.80743996
  H     10.51116331      9.61879029    -11.82086872
          69
 Energy    -249.41221759127555     
  O      2.76372875     -0.57669673      5.43266750
  H      2.34088302      0.28049670      5.28315332
  H      0.20937912      2.54582757      0.21305239
  O     -0.33047946      1.50666924      7.19646460
  H      3.21844850     -0.83383747      4.62000817
  H     -0.75784710     -0.02785680      2.99556397
  O     -0.25892716     -5.23737572      3.89628535
  H     -0.09571777      0.72683044      7.71711935
  H     -0.48695133      1.37802489      2.40093791
  O      3.25672196     -4.40577271      7.02684423
  H     -1.15462628      1.29430072      6.74467212
  H      3.05396897      0.32839110      0.57621209
  O      3.86692885     -1.46790856      3.05834795
  H     -1.09755351     -4.77861935      3.78315515
  H      2.04819075     -0.83637283      0.47140982
  O      3.68596342     -3.97463502      4.38282956
  H     -0.02003873     -5.14602457      4.83034051
  H     -1.99067130      0.96504448      4.57077119
  O      3.08709446     -1.69373133      8.00809708
  H      3.46604626     -4.25432883      6.08719385
  H     -3.22541604      1.53083134      5.30571563
  O      0.42857933     -1.03043642      8.19404974
  H      3.90924788     -5.01712327      7.35854652
  H      1.93599371      2.60253183      2.13550167
  O     -1.25544962     -3.28982695      8.14447278
  H      4.23527309     -0.68907015      2.62315432
  H      2.30151677      2.43811621      3.61968744
  O      1.77572371     -2.42150699      1.44736209
  H      3.14758186     -1.78138812      2.49170470
  H      1.29898603     -1.56119250      5.43795932
  O      4.50343428      0.90414424      1.71123274
  H      3.93790551     -3.13190487      3.98612172
  H      0.57776193     -2.93246232      5.72998208
  O      0.47515988      2.03577287      0.97356819
  H      3.14684493     -4.42476174      3.72148860
  H      1.14279343     -5.15784663      2.88608872
  O     -0.82650213      0.91982406      3.18058667
  H      3.20126767     -2.62519971      7.78636213
  H      2.10873009     -5.90854888      1.93863001
  O      2.19538226      0.08175196      0.21014632
  H      3.14752334     -1.22214489      7.16537780
  H     -2.57025066     -0.97038555      5.72726363
  O     -2.53721559      0.87235155      5.36855489
  H      0.31888926     -1.29182038      7.27173902
  H     -1.37236990     -1.93258817      5.71374945
  O      2.67977325      2.62293590      2.74938348
  H      1.36472838     -1.20548572      8.37416399
  H     -2.65569469     -3.02140686      4.42504151
  O      0.44669553     -2.02031714      5.43470180
  H     -0.73209052     -2.53730245      8.45379196
  H     -3.49598240     -3.83659417      3.41454764
  O      1.96390914     -5.07008192      2.36908537
  H     -1.89900662     -2.91371904      7.53358386
  H      1.42785830     -4.61868317      6.81200830
  O     -2.33633396     -1.90392609      5.80578306
  H      1.88730088     -3.36686555      1.60879280
  H     -0.07109878     -4.28574123      7.17693276
  O     -2.60654658     -3.55698587      3.61535186
  H      0.92840850     -2.18379641      1.85050686
  H      0.56999039      1.41209823      4.33552313
  O      0.52407259     -4.58430777      6.47325593
  H      3.91890241      1.56114574      2.13069231
  H      0.80408111      1.76464650      5.81961761
  O      1.25068711      1.68648530      4.96383158
  H      5.30708415      1.35978237      1.47636996
  H     -0.09163988     -1.91146244      3.72430329
  O     -0.52217536     -1.81193666      2.86070728
  H      1.04157684      1.31460236      0.64376205
  H     -1.29046425     -2.39432958      2.88259901
          69
 Energy    -249.41196940743146     
  O     12.45154845     10.08492511    -10.96552525
  H     12.04966457     10.81963775    -11.44253164
  H     14.75690467     14.68481008     -8.75208506
  O     11.41237377     12.26034527    -12.40809823
  H     13.22712540      9.80060284    -11.46802115
  H     11.40051844     13.03440812     -9.23734667
  O     14.13459819     10.64314368     -8.88032069
  H     11.16444448     12.70880270    -11.58747132
  H      9.97065115     12.76873171     -9.76638128
  O     14.69812794      6.77949510    -10.95984098
  H     12.29182340     12.56671211    -12.66706146
  H     11.12025379      7.42548538     -6.92035968
  O     14.18379119     15.57654037    -12.20684994
  H     13.44405195     10.50003201     -9.54723654
  H     11.19079782      8.80840678     -7.60598949
  O      8.87067434      9.58182090    -11.35552574
  H     14.34511288      9.75892228     -8.54990421
  H     11.28071234     11.22207639     -7.49345903
  O     14.02804576     12.92981537    -13.04014532
  H     13.88399254      6.63956308    -11.47608986
  H      9.95909805     10.77051226     -8.14414396
  O     15.75054960     14.29782599    -10.15131733
  H     15.22442561      5.98991521    -11.05653334
  H     14.38865442      7.50815890     -9.19169804
  O     10.88377789      7.89230622    -10.44267595
  H     14.26985000     16.44175806    -12.59721907
  H     13.32800179      7.83822231     -8.11305931
  O     12.34069866     15.61120691    -10.22330418
  H     13.47080983     15.63464750    -11.54497479
  H     15.15415125     11.36340585    -10.22032974
  O     14.78620447      9.23792133    -12.32563923
  H      9.18937087      9.77199106    -12.24514008
  H     15.50622949     10.79972108    -11.59983768
  O     14.10798082     14.94487720     -8.07394034
  H      9.43456740      8.86951668    -11.02247171
  H     13.11317210      9.70806907    -14.69489479
  O     10.77287375     13.27987521     -9.93315703
  H     14.09628046     13.87993086    -12.87952500
  H     11.78233147      9.32661446    -14.03286722
  O     11.45454259      7.87458805     -7.69231045
  H     14.54677248     12.48823844    -12.35271137
  H     10.54677434     11.07924475    -13.38068018
  O     10.66948149     10.47838879     -7.56075653
  H     15.37523557     14.78822868    -10.89288169
  H      9.71917082     10.62017677    -14.60460913
  O     14.25545265      7.96360332     -8.35169658
  H     15.85186495     13.38788543    -10.45757283
  H      7.78792809     11.57619037     -9.18019193
  O     15.53102695     11.61309062    -11.07706315
  H     11.42353866      8.68141651    -10.61517977
  H      8.72872046     10.79905972    -10.12998460
  O     12.67971090      9.00560546    -14.18656983
  H     10.98945564      7.70969415     -9.50175734
  H     13.99831985     11.87084364    -14.54131412
  O     10.14973398     10.30322768    -13.81388997
  H     11.66069005     14.92714708    -10.17563252
  H     14.63865186     11.41853694    -15.86216359
  O      8.70418706     11.46480415     -9.41980650
  H     12.86566346     15.51527834     -9.41818362
  H     12.45829621      7.35055410    -13.14806031
  O     13.92221879     11.22641900    -15.26159857
  H     14.89819514      8.39544117    -11.86476739
  H     11.77177088      6.99260928    -11.80454027
  O     12.43267322      6.69121286    -12.44467650
  H     14.17942244      9.08549523    -13.06284136
  H     13.18014391     11.92717130     -8.14136549
  O     12.54170455     12.60928848     -7.87998188
  H     14.57871972     15.46479150     -7.42807765
  H     13.04510634     13.42685534     -7.78966552
          69
 Energy    -249.41167984197614     
  O     20.53807135      8.26616211    -13.57795502
  H     20.16313935      7.41263298    -13.83991374
  H     19.85072917      5.10150098    -14.01216700
  O     21.63379850      6.31114603    -11.63426667
  H     20.11544446      8.55536440    -12.75131455
  H     16.03525379      9.26604222    -14.04723146
  O     15.44213849      7.69256699    -10.13336817
  H     21.39031315      5.47179075    -12.04691273
  H     17.56663477      9.54600405    -14.28109055
  O     13.02693714     10.67934194    -12.85980083
  H     21.53155436      6.99063045    -12.30910081
  H     17.15959363      7.57499951    -13.10748729
  O     19.04456645      9.64203948    -15.41113171
  H     15.94304456      8.48284148    -10.38503063
  H     16.48577129      6.16987468    -13.22334514
  O     11.58168790      8.68539875    -11.37894235
  H     16.09324588      6.99716910     -9.97862362
  H     14.14118016      8.23106215    -13.75017953
  O     18.37473650      3.49624380    -11.50150549
  H     13.44485555     10.19009719    -13.57901980
  H     14.54918998      8.17968422    -15.24447251
  O     13.75648727      7.16922791    -12.30147107
  H     12.40394996     10.06480468    -12.45089375
  H     18.43844331      6.24298820     -9.87303969
  O     20.67360915      3.91897016    -12.82778579
  H     19.67520088      9.22864351    -14.79538207
  H     17.54936249      6.20233565    -11.14868633
  O     16.11467162      2.91506739    -13.03041822
  H     19.49412978     10.38259448    -15.80895486
  H     13.97475393     11.35578625    -11.53819180
  O     14.99962174      5.31224026    -13.91380867
  H     10.68283711      8.56397019    -11.08685835
  H     14.31911125     12.55758804    -10.62698784
  O     19.37403923      5.84377432    -14.40054071
  H     12.10681455      8.92151737    -10.59195960
  H     20.71198253      6.66036838    -10.18980837
  O     16.89791162      9.34010963    -13.61767314
  H     18.07637204      4.20611055    -10.92064990
  H     20.63721178      6.91434571     -8.66531760
  O     17.25207254      6.64234668    -12.87436733
  H     17.60463283      3.23086783    -12.02353656
  H     19.62381524      8.44598947    -10.48901595
  O     14.35101166      8.78409061    -14.51863715
  H     14.36907568      7.30253161    -11.56319706
  H     18.57122780      9.46529732    -10.98202591
  O     17.59836694      5.91758692    -10.22172594
  H     12.91117632      7.54902316    -12.03291217
  H     14.94836330      6.54913820    -17.19282970
  O     14.46471868     11.62207288    -10.73992508
  H     19.86393570      3.71945516    -12.32170285
  H     16.19722138      6.92639649    -16.36249842
  O     20.11662353      6.91994034     -9.46379639
  H     21.11758449      3.08926839    -12.97722498
  H     18.27778415      8.06490036    -16.22566482
  O     19.42492898      9.07110300    -11.19609319
  H     15.44043402      2.24072100    -12.99047400
  H     18.45193953      6.59180518    -15.83624658
  O     15.23376461      6.78837591    -16.31503065
  H     15.67693161      3.70669381    -13.37793371
  H     14.01261238      8.71031712     -9.45339848
  O     17.90864952      7.18641234    -16.37196192
  H     14.42428208      5.84682450    -13.34673507
  H     13.68532278     10.19857513     -9.68068883
  O     13.29881863      9.36091281     -9.39617755
  H     15.01549748      5.72101227    -14.78853887
  H     16.06849930     10.66166316    -10.83459617
  O     16.75612099      9.99959716    -10.97338148
  H     18.62437025      6.02880520    -13.81261513
  H     16.80987372      9.85212399    -11.93131142
          69
 Ord_Energy   -249.411377    
 O    1.44637096      -2.36145473      -5.31013250    
 H    1.25244510      -3.28522134      -5.09874821    
 H    2.20963383      -2.11381149      -4.77279043    
 O   -3.25714803      -2.28510141      -3.02083635    
 H   -3.22086978      -3.23588443      -2.86457300    
 H   -2.39829540      -2.05084848      -3.40581656    
 O    3.42764568      -4.78416443      -3.28028488    
 H    3.65545988      -3.86658597      -3.48070836    
 H    2.63939357      -4.98151493      -3.80457711    
 O   0.828761637      -4.89056158      -4.35868263    
 H   0.530931652      -4.70031691      -3.46026254    
 H    2.24880893E-02  -5.01901484      -4.88106012    
 O   -2.03947020      0.943192601      -4.76423693    
 H   -2.02534270       1.45075476      -3.94305897    
 H   -1.39159966       1.31759655      -5.37549877    
 O    2.51646018      -4.83120251     -0.736532569    
 H    2.96581483      -5.46517515     -0.184667364    
 H    2.91814446      -4.89045811      -1.62306523    
 O   -3.91065812      -1.03520799      -5.45410538    
 H   -3.95065618      -1.48925889      -4.60198927    
 H   -3.39249229     -0.234533444      -5.29333115    
 O    3.29630661      0.784475923      -1.05493510    
 H    3.81359863      0.813732684      -1.86941862    
 H    3.21074343     -0.151043326     -0.829484940    
 O   -2.60485172      -5.00534248      -2.73548579    
 H   -1.74333823      -4.87930965      -2.30638981    
 H   -2.98117590      -5.79952621      -2.36334848    
 O   -1.86707401       2.07631493      -2.19695449    
 H  -0.932185471       1.88924360      -2.00591660    
 H   -2.06549001       2.91936111      -1.79651630    
 O    1.87995839       1.40038705      -4.39275932    
 H    1.35261917       1.33727324      -3.58724880    
 H    1.26770151       1.46914327      -5.13307190    
 O  -0.761604011      -1.40291858      -3.93023729    
 H   -1.13544309     -0.592062593      -4.29846621    
 H   -3.07127498E-02  -1.68816376      -4.49201584    
 O    1.71405803E-02   1.52676237      -6.54479980    
 H   0.113318034       2.08781123      -7.30924082    
 H    6.75695995E-03  0.606280982      -6.86796904    
 O   0.684814632       1.17248225      -1.79236782    
 H   0.386888146      0.276961297      -1.59557009    
 H    1.59452689       1.21979749      -1.46172357    
 O    4.39453506      0.701653540      -3.72146273    
 H    5.04824114       1.23936415      -4.15901756    
 H    3.52185345      0.994923472      -4.04385471    
 O    3.55343390      -1.95699513      -3.52358365    
 H    3.98243117      -1.10357428      -3.66125250    
 H    3.20852852      -1.94290602      -2.62004089    
 O    2.56418014      -1.98349309     -0.880149364    
 H    2.64918947      -2.92076516     -0.668955147    
 H    1.61464584      -1.80565310     -0.933863580    
 O  -0.100198582      -4.36594582      -1.68189716    
 H  -0.191867068      -3.42526507      -1.48367465    
 H   0.723181367      -4.64878559      -1.26292467    
 O   -2.62997007     -0.479554832     -0.922256410    
 H   -3.03770423      -1.05337858      -1.58663321    
 H   -2.56746387      0.396395981      -1.31863785    
 O   -4.21029218E-02  -1.06593645      -7.25396585    
 H  -0.842724204      -1.60424256      -7.25544453    
 H   0.605136991      -1.54883897      -6.72067928    
 O   -2.42763019      -2.64114428      -7.07723808    
 H   -2.92617989      -2.85756469      -7.86195946    
 H   -2.99839520      -2.07027650      -6.53445196    
 O  -0.160228461      -1.54185605      -1.32110763    
 H  -0.996967077      -1.23175383     -0.943576992    
 H  -0.278407842      -1.51205432      -2.28634572    
 O   -1.64378512      -4.91366291      -5.50251770    
 H   -1.93180156      -4.14281034      -6.00676823    
 H   -2.14350700      -4.91846037      -4.67844391    
          69
 Energy    -249.41125298024519     
  O     -0.14813857      2.36474490      0.03336426
  H     -0.81679086      2.41063984     -0.66030732
  H     -2.13108920      2.69868003     -2.79646711
  O     -0.58166601      0.26886048      3.03491091
  H      0.05422651      1.42786804      0.13568851
  H     -4.83053585      5.33062994      4.33461438
  O     -4.66766388      0.24048686      0.71839308
  H     -1.13194438     -0.43217373      3.41405543
  H     -4.07039398      4.48876549      3.28119123
  O     -2.30064631     -3.13131847     -0.88587660
  H     -0.32248913     -0.01202863      2.14665196
  H     -3.83393595      3.98529958      0.18508579
  O     -0.16665400     -0.47649084      0.42419510
  H     -4.10343207      0.71692201      1.35060783
  H     -5.06071353      3.21423101     -0.33803534
  O     -3.76712611     -0.14146021      5.83870416
  H     -5.38573393      0.84081344      0.48804637
  H     -5.83674890      3.05098690      3.57466083
  O     -6.15180378     -0.11571368      4.58674118
  H     -2.46793091     -2.19534499     -1.06221407
  H     -6.28223014      1.56189797      3.66195571
  O     -0.20381034      2.58530864      4.43213463
  H     -2.94826230     -3.41018509     -0.22690649
  H     -3.08492829      3.23066458      1.95446098
  O     -2.58605977     -0.32940233     -0.99771758
  H     -1.01020122     -0.43187628     -0.04908683
  H     -2.12705958      4.42779287      1.89380427
  O     -4.89290700     -1.71506375      2.60650502
  H      0.11677140     -1.39749323      0.37864437
  H     -6.52902942      2.35754056      1.41323735
  O     -1.38417702     -3.86927477      2.61074002
  H     -3.42190364      0.75876235      5.75602679
  H     -7.45780490      2.38471258      0.17538208
  O     -2.25246766      2.28797784     -1.94439052
  H     -3.15814389     -0.71735997      5.35840944
  H     -1.91326958     -2.47410455      3.60968508
  O     -4.58910958      4.43752655      4.10360429
  H     -6.85468132     -0.35658433      5.18507112
  H     -3.18989066     -1.61895365      3.46659598
  O     -4.22198035      3.60147350     -0.61323336
  H     -5.32814583     -0.12172866      5.10782336
  H     -0.21331299      3.78410880      2.87528554
  O     -6.36836579      2.37169514      3.14449790
  H      0.57962046      2.55899422      4.97621742
  H     -0.19202190      3.63509903      1.33675047
  O     -3.06701463      4.19475110      1.86026588
  H     -0.23515549      1.74140012      3.94798033
  H     -3.44673737      3.21058142      4.96736645
  O     -6.54752320      2.28839536      0.44133852
  H     -2.44720915      0.50411542     -1.46517815
  H     -1.99857909      2.61307458      4.99010841
  O     -2.34209799     -1.66544423      3.92685328
  H     -3.36307983     -0.19058513     -0.43777893
  H     -4.59899295     -4.67486807      1.31879220
  O     -0.36428917      4.26516703      2.05443404
  H     -5.42285599     -1.29120049      3.29148643
  H     -4.36119425     -3.22489845      1.79071087
  O     -2.93061890      2.41785751      5.15861903
  H     -4.86353337     -1.08670548      1.86881934
  H      0.75601634     -3.84341226     -0.22054134
  O     -3.96127420     -3.96499811      1.30589262
  H     -0.75113913     -3.70282881      1.90196812
  H     -0.68977855     -3.28824956     -0.23061717
  O      0.15777477     -3.27031643      0.25119678
  H     -2.22354818     -4.05510707      2.17111545
  H     -3.19354613      1.70107826      3.42084332
  O     -3.03034241      1.48320088      2.49470616
  H     -2.97825228      2.76561411     -1.50514504
  H     -2.14313324      1.10257425      2.47700871
          69
 Energy    -249.41097011591083     
  O     15.90410364      5.57182347    -12.84865389
  H     15.24252644      6.22306467    -12.57350200
  H     20.63111081      5.68260855    -13.27237967
  O     19.19365079      8.77231734    -12.74952837
  H     16.70031255      5.74930826    -12.32758954
  H     17.64791823     10.46116351    -18.26584542
  O     17.56816312      7.27191835    -18.15248588
  H     19.92996347      8.36092518    -13.21866186
  H     17.38944222      9.01168513    -17.80224963
  O     15.65528654      5.12333981    -17.62685598
  H     18.66292858      9.22805164    -13.41763629
  H     15.71841914      7.28043173    -15.45808940
  O     16.12262249     11.04161209    -10.43067218
  H     16.87457270      6.60320248    -18.11830793
  H     16.35111904      6.69078516    -14.17606999
  O     14.23107759      7.73218993    -12.29663176
  H     18.24147617      6.95211972    -17.53706824
  H     13.97491557     10.42829745    -14.22016661
  O     17.50512374      9.77681566    -14.71582742
  H     15.86984084      4.70505503    -16.77372429
  H     12.82590830      9.53353776    -14.70152542
  O     19.07985221      3.65485209    -15.02086330
  H     15.42001070      4.41792187    -18.22403820
  H     17.52443215      7.06542999     -8.12829343
  O     15.13380223      8.43243933     -9.71579462
  H     17.02390735     10.68245097    -10.34418663
  H     16.63339231      7.70707147     -9.22073589
  O     18.96550050      6.33591793    -15.91060932
  H     16.11060250     11.87654277     -9.97105048
  H     11.49508818      7.27038791    -14.57633964
  O     16.26662419      3.99267540    -15.20782956
  H     13.47640184      7.63662640    -12.89103785
  H     12.94647850      7.35696285    -15.10248349
  O     20.15432227      4.93645247    -12.88984162
  H     14.67292284      8.55310168    -12.56058251
  H     20.31092691      7.01858594    -14.96222800
  O     17.30888689      9.94507306    -17.53863037
  H     17.54192397     10.04922547    -15.63924842
  H     21.76957568      7.52080114    -14.83476365
  O     16.52343438      7.27431905    -14.92576692
  H     17.13561391      8.87714161    -14.74017187
  H     18.47558675      7.24328572    -11.97820287
  O     13.31321765     10.33620381    -14.91858734
  H     19.46029092      4.02109738    -14.20242900
  H     18.01512034      6.64102940    -10.62557981
  O     17.53377923      7.38947217     -9.02442199
  H     19.58804021      2.87725437    -15.23526380
  H     18.87785813      9.52742689    -11.07220323
  O     12.35804385      7.62183562    -14.37381831
  H     15.32077131      9.36540695     -9.87826260
  H     18.34266594      9.00847559     -9.71843813
  O     20.99416913      7.29587723    -14.32723777
  H     14.69983752      8.10423945    -10.51427206
  H     14.07176344     10.00734355    -16.55541351
  O     18.20398803      6.42105031    -11.54669548
  H     18.10484048      6.64145736    -15.58464656
  H     15.37134475      9.85655296    -17.40109730
  O     18.52971435      9.81352567    -10.21682646
  H     19.00559595      5.38554014    -15.74445921
  H     16.13638329     10.19629159    -13.56540313
  O     14.44739943      9.59128346    -17.34700178
  H     17.19748920      3.75433892    -15.11501958
  H     15.61839886     10.60166629    -12.14854902
  O     15.36119579     10.20192287    -12.98843288
  H     16.01813212      4.40626534    -14.37114708
  H     14.50935031      6.39701086    -16.93198896
  O     14.12421119      7.09379251    -16.38871151
  H     19.49094908      5.32902596    -12.30526461
  H     14.20792671      7.94234814    -16.85588190
          69
 Energy    -249.41064601123844     
  O     14.28730249     10.13177495    -11.72304852
  H     14.30065285      9.48273363    -12.44603688
  H     11.64680828     10.05966989    -14.66749515
  O     14.85140529      5.61113680    -13.53786401
  H     13.99487897     10.96309559    -12.11418792
  H     13.09302146      8.26705742    -13.73440943
  O     14.35504147      9.57730901    -16.15451552
  H     15.80462728      5.51145005    -13.43069543
  H     14.39426128      7.39377142    -13.69265272
  O     11.08273271      5.87513820    -14.98719565
  H     14.44238747      5.49953120    -12.66851284
  H      9.60507598      7.89787626    -10.75354984
  O     14.95093769      7.25647705     -8.24886602
  H     14.72336117      8.90643223    -16.73880302
  H     10.55638953      6.90384121    -11.46725080
  O     13.59328598      5.52932783    -11.09498176
  H     14.30147736      9.14610378    -15.28609598
  H     17.53290473      6.55347434    -10.06962315
  O     15.81750116     11.54840982    -14.83193003
  H     10.45663672      5.48477546    -15.59117264
  H     16.75087397      5.22948499    -10.02642178
  O     17.90266953     10.07276788    -13.95183022
  H     11.96041476      5.78519278    -15.39995234
  H     11.05988119      5.39280724    -13.10952531
  O     15.23130480      4.67547328     -8.99054412
  H     14.26558133      7.65714198     -8.80009678
  H     11.89411655      5.24565620    -11.80769096
  O     17.34362466      7.55466756    -15.15465176
  H     15.78671050      7.67013460     -8.50242224
  H     16.07575632      9.99160535    -11.35992010
  O     15.59708794      7.28738223    -17.22391872
  H     13.48517683      6.45063990    -10.81827280
  H     17.39124935      9.84618373    -12.15168374
  O     12.07334487     10.83039493    -15.06499480
  H     14.09722561      5.08980750    -10.39956876
  H     17.60385401      5.60439177    -12.22757105
  O     14.06029340      8.29827437    -13.71571045
  H     15.36026783     10.94429682    -15.43448814
  H     18.21270217      4.76082743    -13.36829752
  O     10.45348267      7.83101946    -11.18315468
  H     15.12979944     11.93358070    -14.27793475
  H     17.33382636      8.78885958     -9.92912632
  O     17.43575172      5.70146098    -10.51386246
  H     17.17428109     10.64456710    -14.25434673
  H     18.15261150      8.58542876     -8.63247365
  O     10.99582041      5.36329935    -12.14731944
  H     18.71226396     10.52689735    -14.17193529
  H     14.17543102      6.18962558    -16.51105403
  O     17.01596175      9.78760465    -11.26606737
  H     15.17123815      4.06264834     -8.26340429
  H     14.05217570      5.49167040    -15.14791633
  O     17.63194999      5.49741318    -13.19505038
  H     15.11540020      5.57007151     -8.61856051
  H     12.15833673      8.14267977    -10.41260815
  O     17.47232843      8.19136062     -9.17138649
  H     17.51032432      6.88684517    -14.47940885
  H     13.49279628      8.90369317    -10.65013669
  O     13.58129222      5.64777300    -15.98052386
  H     17.53441927      8.40707835    -14.74421358
  H     13.13054788     13.19967978    -13.19974322
  O     13.09655698      8.15104932    -10.18844648
  H     16.24105731      7.36366542    -16.49595575
  H     12.92461841     11.84690600    -13.92081756
  O     13.49748774     12.32512364    -13.29444221
  H     16.09822905      7.08649014    -18.00962956
  H     10.92738487      8.33025183    -12.93653482
  O     11.27046103      8.41872189    -13.83408396
  H     12.75485693     10.47503034    -15.65168530
  H     11.10099627      7.58378218    -14.29170064
          69
 Energy    -249.41059098476683     
  O      8.38170326    -10.69698855     -6.02389074
  H      7.93735702    -11.29132510     -5.40532626
  H     10.28057078    -13.56507959     -3.31701820
  O      8.20173684     -6.38436433     -1.39971906
  H      9.32630695    -10.80329347     -5.85494436
  H      9.09956241     -8.85520766      1.33383538
  O      8.57288807    -14.43306600     -3.28773493
  H      8.56399526     -6.74192939     -2.22248639
  H      9.82319603     -8.64896369     -0.01360328
  O     10.90920032    -12.30874889     -0.52446220
  H      8.61825538     -6.86693548     -0.67448178
  H      9.66556065    -10.91549202      2.41645571
  O     10.91528749    -12.40321779      2.29308236
  H      8.07689069    -13.65201768     -3.59232937
  H      8.13101228    -10.81464186      2.45770185
  O      5.58845556     -7.00535004     -1.60941320
  H      8.29308531    -15.17068014     -3.82269998
  H      6.25848344    -10.90466432     -0.25649009
  O      6.70559237     -9.23314661     -0.31295539
  H      9.99991298    -12.63471734     -0.59768362
  H      5.47814992    -11.88375879     -1.14799603
  O      4.71719968    -11.53043471     -2.88107803
  H     11.11395384    -12.33437368      0.41821373
  H      8.36801251    -13.91124341     -1.50892510
  O     10.83747407     -9.60841436     -1.14446340
  H     11.50497593    -12.66543361      2.99485458
  H      7.56544648    -12.88755927     -0.64636887
  O     11.50629859     -8.84899270     -3.68763198
  H     10.17056495    -13.03121121      2.29968987
  H     11.09802828    -11.80050403     -4.59349702
  O      6.57979034    -12.03486540      2.37226507
  H      5.02972552     -6.28685159     -1.32689251
  H     11.79528724    -11.42561693     -5.91940761
  O     11.02499230    -12.95252900     -3.28685152
  H      6.50781668     -6.68443359     -1.55672975
  H      7.74675811    -11.46002516     -3.35947965
  O      9.13836591     -8.27290891      0.56010617
  H      7.52054039     -8.87658563      0.07097617
  H      6.33989796    -12.03904647     -3.64544150
  O      8.93549941    -10.28520684      2.42939253
  H      6.20512377     -8.49095505     -0.67130851
  H      8.59734562    -13.97173177      1.11512578
  O      6.02300993    -11.84269939     -0.35453973
  H      3.83463631    -11.74500916     -3.17081948
  H      7.93217413    -13.40553225      2.36954345
  O      8.35231480    -13.44739884     -0.66330247
  H      4.87236880    -10.59938637     -3.12787641
  H      6.80237860     -8.01623648     -6.64795958
  O     11.10254280    -11.15444471     -5.32180520
  H     11.25117266     -9.36275184     -1.98520309
  H      7.51208803     -9.19562744     -5.94130815
  O      7.27151991    -12.13346399     -3.87497186
  H     11.03437078    -10.53192426     -0.94068349
  H      5.80968713     -8.76330170     -4.37246061
  O      8.68057067    -13.94156868      2.07890655
  H     10.71798128     -8.30774837     -3.82771295
  H      5.32227753     -8.25315838     -2.99484203
  O      7.01323597     -8.37221949     -5.78919995
  H     11.42362065     -9.59345176     -4.29624953
  H      7.74661412     -9.83921684     -1.73172230
  O      5.25134045     -8.98671654     -3.61785542
  H      5.80246146    -11.88518293      2.90536975
  H      9.26561504    -10.06964502     -1.94928813
  O      8.39890079    -10.15847562     -2.36809771
  H      6.28370658    -12.03810106      1.44834019
  H      8.29734121     -7.75004434     -4.52633780
  O      8.88168875     -7.76709524     -3.76029820
  H     11.17193724    -12.75886223     -2.35275394
  H      8.70236787     -8.61675575     -3.33036148
          69
 Energy    -249.41058536796368     
  O     16.46062643      9.75142055    -12.09986997
  H     17.37283910      9.42610211    -12.08912703
  H     19.12047857      3.63983948    -12.80222973
  O     16.50847723     12.34325531    -11.08039008
  H     16.46446354     10.68694967    -11.85912628
  H     16.05190284      6.97015109     -9.47307968
  O     12.15426085      6.05049663     -9.82384805
  H     17.30144732     12.24265557    -10.52106591
  H     16.02209498      5.95642279     -8.32020586
  O     14.60118218      7.86040392    -12.87808009
  H     16.56201080     13.20516766    -11.48469403
  H     18.71747607      6.07706026    -13.66695515
  O     18.94249390      8.58188518    -11.83704348
  H     12.93342386      5.78908032    -10.34420393
  H     18.75195408      7.59917807    -13.44330861
  O     20.53392104      9.95384110     -9.94172451
  H     11.47407616      5.40860734    -10.01274409
  H     17.15596820     12.23542539     -6.23632790
  O     18.68344766      6.19777772    -10.39251562
  H     14.94931458      7.46700717    -13.68776411
  H     16.36857030     11.76181656     -7.48109240
  O     15.04727161     11.98584440     -8.60045202
  H     15.21772765      8.56774093    -12.63853446
  H     16.89139715      6.79191769    -14.72528574
  O     12.39475984      8.60320928    -11.23870172
  H     18.81677279      7.76909980    -11.32421624
  H     15.94445241      6.68972472    -15.94492137
  O     13.38771255      9.75261043     -8.95237004
  H     19.55262292      9.12809836    -11.32811541
  H     15.01903106      9.07887205     -9.37400533
  O     12.87347248      7.39502239     -7.46024637
  H     21.48029421     10.05689589     -9.89145729
  H     16.13712534      9.09186614    -10.45063177
  O     18.68615028      4.46750611    -12.61446231
  H     20.29423798      9.23920571     -9.32293578
  H     18.25798845     11.80893171     -8.52822519
  O     16.17501503      6.02746938     -9.27157536
  H     17.82546650      6.03739305     -9.97355181
  H     19.28684196     11.29045574     -9.57084881
  O     18.51633216      6.92171288    -14.08951504
  H     18.77950632      5.53642947    -11.08838426
  H     14.68687659      6.90787846     -6.82928557
  O     17.17461619     11.60888293     -6.95463092
  H     14.37058007     11.30113172     -8.68723264
  H     16.15903650      7.34594178     -6.64273317
  O     15.97257010      6.61186987    -14.99522089
  H     15.39668458     12.13884114     -9.48621445
  H     15.05699770      5.60955526    -10.56920027
  O     15.88045572      8.70790869     -9.60463619
  H     13.06192634      8.40775733    -11.91017864
  H     14.49357188      6.37687614    -11.81021017
  O     18.58952200     11.94109016     -9.42473758
  H     12.15450102      7.75478623    -10.84959885
  H     18.91873194      8.16332797     -7.86573900
  O     15.57391992      6.57565115     -6.64831703
  H     13.16084510      9.06842499     -8.31104560
  H     19.44530304      7.20896421     -8.96943314
  O     14.40543375      5.56623460    -11.28643212
  H     12.97508183      9.49491187     -9.79157622
  H     17.30006296      9.73509477     -6.95057510
  O     19.70415745      7.92637037     -8.37697337
  H     12.62431034      6.88193828     -8.24517294
  H     16.83997385      8.80085898     -8.08053935
  O     17.28006097      8.80816162     -7.21675453
  H     12.19217533      7.24190437     -6.80841484
  H     15.41708680      4.58411936    -12.56164398
  O     16.04522402      4.34055797    -13.25314996
  H     17.74050703      4.33976478    -12.80950738
  H     15.93899777      5.00444027    -13.94639138
          69
 Energy    -249.41053097426175     
  O     14.52760543      9.82740723    -10.59716650
  H     14.26586367     10.38193635    -11.34243140
  H     13.25154429      8.76839689     -9.82577074
  O     13.25470632     10.19030561    -16.43331724
  H     15.02737717      9.09385969    -10.99027955
  H     18.61445272      7.93462726    -15.09601083
  O     16.84171509     10.91358509    -13.62109828
  H     13.01276042      9.56221746    -15.74120103
  H     20.02088014      7.29654182    -15.17203438
  O     16.86708061      7.38369088     -8.40160546
  H     13.14298959     11.06828034    -16.04699340
  H     13.05304861     13.60960452    -15.19122472
  O     16.05296344     12.55564452    -15.79630592
  H     15.91623922     10.85643693    -13.34509547
  H     14.35798678     12.79647779    -15.38158102
  O     15.86154860      7.74326451    -11.87090686
  H     17.39590374     10.85875831    -12.83352259
  H     13.82488290      8.04117109    -14.41780083
  O     14.07325045     10.87956548    -13.10265124
  H     17.39721945      6.75246139     -8.90903144
  H     12.61894525      7.94712720    -13.46858434
  O     18.66787973      7.81049973    -11.94632163
  H     15.99645536      6.98395860     -8.31020239
  H     14.83519938     10.18366274    -17.18837647
  O     18.53942884     10.56366482    -11.38951739
  H     16.46448702     12.13409815    -15.02954447
  H     15.66229916     10.24737491    -18.49332973
  O     17.25151433      5.20587445    -14.20480691
  H     16.05573422     11.88830069    -16.49359142
  H     11.57600051      6.00506089    -12.20827907
  O     16.75871247      3.93484087    -11.85674159
  H     16.82332262      7.71213396    -11.78641222
  H     13.05688259      6.16114121    -11.80849544
  O     12.67586114      8.03082640     -9.57554975
  H     15.49750781      6.93242110    -11.49340569
  H     13.64208353      6.85743587     -8.71018325
  O     19.20620743      7.28763513    -14.67589498
  H     13.76031040     11.59038182    -13.67389423
  H     13.88402887      5.84964367     -7.55980997
  O     13.42180825     12.73380347    -15.11975647
  H     13.68103380     10.05909326    -13.43442032
  H     15.24303989      4.79374023    -11.27746351
  O     13.01041596      8.49837886    -14.15548299
  H     18.75908092      8.75552683    -11.76825179
  H     14.49767767      5.51389963    -10.09570646
  O     15.73743678     10.27813477    -17.54338471
  H     18.93790441      7.65279721    -12.85889080
  H     18.57176364      6.39218088    -10.73892948
  O     12.26972736      6.65197934    -12.09782819
  H     18.00161086     10.38933385    -10.59338504
  H     17.82660165      5.04595509    -10.66663498
  O     14.23660052      6.15427000     -8.39149847
  H     19.23077817     11.16477733    -11.12643685
  H     15.59030201      7.51653847    -13.60452652
  O     14.53303274      5.41056301    -11.05743266
  H     18.03259481      5.74348090    -14.37597837
  H     16.06917358      7.92516863    -15.02187437
  O     18.27716699      5.70384252    -10.12663505
  H     16.50631392      5.78279426    -14.41990567
  H     16.08160188     10.11265803     -9.59092321
  O     15.45642402      7.34603846    -14.55181344
  H     16.97620826      3.00974038    -11.93522831
  H     17.02390793      9.10342506     -8.90531446
  O     16.99270949      9.99037362     -9.29528427
  H     16.96324759      4.34492516    -12.71588492
  H     16.90505344      9.44999615    -16.38450939
  O     17.37097046      9.09782901    -15.61580500
  H     12.35867943      7.65841992    -10.40585325
  H     17.24289387      9.73332406    -14.89391662
          69
 Energy    -249.41017891429931     
  O     -2.95344986      3.89005971      4.31919529
  H     -2.74025655      3.46830243      5.16013900
  H     -1.37216503     -3.68316461      3.43642355
  O     -2.74728814      2.27092356      2.10659276
  H     -2.18271575      4.42830062      4.09856822
  H     -1.10551381     -0.37485346      2.31644287
  O     -1.87929063      2.66032198      6.69340265
  H     -2.99399207      2.81585723      2.86796520
  H      0.22718994     -1.16441807      2.12340488
  O      1.51023449     -2.54817044      0.00807551
  H     -1.86367405      2.56598791      1.85222473
  H     -1.50141838      1.05498318      5.85134527
  O      0.54856636      1.10419853     -1.86456552
  H     -2.02542892      2.88768374      7.60742805
  H     -0.31616294      0.66523467      4.93464813
  O     -1.45384659     -0.45632807     -0.69221079
  H     -1.01257244      3.03070069      6.44314426
  H      1.83258908     -2.10700757      3.51075809
  O     -2.70600457     -0.32134727      3.10304802
  H      1.60815330     -2.63740070      0.96645908
  H      0.69254181     -3.11279527      3.21026724
  O     -0.92207027      3.52011465     -1.35914492
  H      1.92085010     -1.70691905     -0.22196389
  H     -1.18364692     -3.99429197     -0.92422195
  O      2.68587146      0.06173799     -0.58243953
  H     -0.16342408      0.50262791     -1.60426655
  H     -0.17575281     -3.00813773     -0.29095824
  O      0.02315789     -2.08943713      6.05882703
  H      0.17471174      1.98909655     -1.79153539
  H      0.93714419      2.80562674      5.33037239
  O     -2.39488022     -3.00884108      2.23164175
  H     -1.51830895     -1.40938675     -0.81767258
  H      0.25609194      4.14999338      4.98099634
  O     -0.69786227     -3.99786959      4.06565031
  H     -1.01455596     -0.35560858      0.16569386
  H      0.93189486      0.81515483      1.74943660
  O     -0.27404896     -0.39453750      1.82579529
  H     -2.88285325      0.54901598      2.71754726
  H      2.22731447      1.08556430      0.97595479
  O     -1.14980138      0.34188155      5.30348250
  H     -2.29008700     -0.15413548      3.96153658
  H      3.16412571     -1.58750525      5.68594387
  O      1.32216439     -2.50696064      2.79655661
  H     -1.71957723      2.98547835     -1.18653514
  H      1.61917842     -1.62729902      5.56116367
  O     -1.12376750     -3.21018736     -0.38491267
  H     -1.17295547      4.19433567     -1.98433165
  H      1.62881363      1.37016061      3.52899227
  O      0.47896011      3.56467858      5.71615320
  H      1.96166868      0.45721829     -1.10173769
  H      1.89240044      0.42204627      4.72684220
  O      1.67913743      1.43596035      1.68630345
  H      3.46585119      0.09942890     -1.12992855
  H     -0.34987284      4.55648018      2.71438286
  O      2.43836161     -1.32444102      5.12670931
  H     -0.50652253     -1.29450765      5.90537772
  H     -0.27827227      6.00246711      3.25444691
  O      1.43034845      1.22787987      4.46400256
  H     -0.32737906     -2.77208573      5.47310363
  H     -2.59841737      1.01839983     -0.74750300
  O     -0.46070596      5.10201484      3.51104387
  H     -2.05066785     -3.00955330      1.33080331
  H     -3.13136268      2.04482808      0.27415342
  O     -2.97528093      1.90591484     -0.66960942
  H     -2.66771217     -2.10644348      2.44474566
  H      0.51578434      2.80385308      1.42781675
  O     -0.22090005      3.42566976      1.35218013
  H     -0.87036543     -4.92359345      4.21346364
  H     -0.40061030      3.55030988      0.41157761
          69
 Energy    -249.41016893374274     
  O     12.13532468     12.29582341    -13.09814706
  H     11.75037418     13.15299463    -12.93632632
  H     17.71141663      5.77962655    -12.76006359
  O     19.09699029      8.66747174    -12.89541459
  H     12.93604406     12.44098136    -13.63282489
  H     13.32555554      9.45296659    -17.44741884
  O     15.78153644     10.05743635    -11.92104214
  H     18.83921409      9.59091552    -12.78595886
  H     12.32949354     10.27541757    -16.58423103
  O     11.35090562     10.28059766    -15.04365440
  H     18.86642358      8.40509607    -13.79368217
  H     15.78309770      9.63381476    -15.27969032
  O     13.64876534      7.38632965    -14.79112986
  H     15.61055038      9.90628848    -12.86423045
  H     14.56318257      8.97528445    -14.59977988
  O     14.60915407      5.88411455    -12.67566446
  H     16.60727810     10.55308126    -11.88228315
  H     13.98591183     13.16972763    -18.13838760
  O     18.47029714      6.64628500    -11.22391643
  H     11.50061467     11.02600010    -14.45091984
  H     13.81551215     11.77672345    -17.48568910
  O     14.34131379     12.39517004    -14.66814533
  H     11.23136987      9.52060852    -14.46145497
  H     13.01704943      8.67685001    -10.25133421
  O     18.36012070      7.32246259    -15.35688690
  H     12.84838587      7.69468631    -14.34502191
  H     14.14943185      7.66999993     -9.98365919
  O     15.84491895      7.53199136    -10.79561842
  H     14.09129442      6.80477872    -14.15856210
  H     16.23237484     12.75600208    -14.34235143
  O     17.08817277     11.82619469    -17.06800565
  H     13.73266129      5.70180487    -12.31680726
  H     17.32432495     12.40134053    -15.35220438
  O     17.26466319      5.56996701    -13.59039614
  H     15.04212830      6.46534238    -12.03182491
  H     18.80301188     11.92745937    -11.85928823
  O     12.91728057     10.31893832    -17.35329835
  H     19.22419320      6.38152992    -10.70467544
  H     17.91835819     11.81878260    -13.12262222
  O     15.15977325      9.73171800    -14.54863747
  H     18.75336907      7.40107449    -11.77286358
  H     13.96104752     10.18229008    -11.59269882
  O     14.33400586     12.60232778    -17.45646933
  H     14.57769792     11.45527884    -14.63474416
  H     12.64357769     10.91647661    -11.94289084
  O     13.19963881      7.81021485     -9.86570330
  H     14.30044982     12.62362747    -15.60621443
  H     17.29118116      8.42327814    -16.34023716
  O     17.18599067     12.64501066    -14.42516289
  H     19.10997214      6.88287987    -15.75173374
  H     15.94793499      8.56426198    -17.12637944
  O     18.25303256     11.32437218    -12.35170677
  H     17.92393344      6.66603288    -14.78580624
  H     12.09263787      8.87066570    -12.55667751
  O     12.99779433     10.11810229    -11.53105852
  H     16.75033175      7.19909318    -10.78882310
  H     11.57786566      7.41248507    -12.59691521
  O     16.69818466      9.05590473    -16.76821744
  H     15.87865507      8.42751153    -11.16351364
  H     11.46415556      5.34700369    -10.97886581
  O     11.62583460      8.22727346    -13.11085755
  H     17.05016639     10.86065351    -17.08740972
  H     12.39613651      6.57006414    -10.79426328
  O     12.02982642      5.95056683    -11.45237318
  H     16.20444021     12.12626434    -17.31384151
  H     14.00802095      7.51856040    -16.51742147
  O     14.27121124      7.74742759    -17.42547328
  H     16.32706098      5.50242097    -13.37165336
  H     13.97741629      7.03378416    -17.98608863
          69
 Energy    -249.40978394451921     
  O     12.14798248     10.99358630    -14.91096427
  H     12.43750745     10.23801312    -15.44321524
  H     16.56055411     10.83659258    -16.64783255
  O     15.94667203      6.69568335    -12.96330441
  H     12.81762942     11.67529882    -15.03316419
  H     14.57706937      8.92245561    -14.99286616
  O     17.67107371     10.84663959    -11.88238125
  H     16.77574589      7.05140214    -12.62101381
  H     15.43746126      8.17277349    -13.92158999
  O     17.61463736      9.57184457    -15.74471663
  H     15.27619577      6.84822326    -12.28131117
  H     10.30841711     10.21871400    -12.49720589
  O     12.53650739      6.21396937    -15.44803796
  H     17.60187681     10.87033335    -10.91634759
  H     11.52709358     10.36963784    -13.43956147
  O     14.59598939     10.26944169     -8.55398413
  H     16.83050109     11.14777417    -12.25158122
  H     18.16287220      7.70993847    -10.16859732
  O     14.05801694      7.45731246    -11.10383003
  H     16.82871988      9.37060536    -15.21350400
  H     18.77285619      7.16020901     -8.86157799
  O     15.20122826     11.37351571    -12.99762728
  H     18.34391555      9.70939920    -15.13083229
  H     12.65522884      7.12186246    -12.29002441
  O     16.59497638      7.52418570    -17.42749505
  H     11.88984862      5.55010625    -15.67122122
  H     11.64604302      8.10603476    -12.90442481
  O     15.24425398      7.46416760     -8.62694838
  H     12.32379476      6.52121723    -14.54795255
  H     18.97049992     10.43224622    -13.07299836
  O     15.39032369      5.81865843    -15.58237684
  H     14.16455633     10.31147127     -9.42396026
  H     20.37181786     10.47638883    -13.71874386
  O     15.81071244     11.30761973    -17.03572503
  H     14.04583794     10.76230459     -7.95040800
  H     17.79594086      8.99369921    -11.84814304
  O     15.27812123      9.02883026    -14.33724823
  H     14.40801662      7.28986319    -10.21757459
  H     18.88395865      8.25129224    -12.59569641
  O     11.21864827      9.95905947    -12.61072607
  H     13.92305634      8.41220325    -11.16070990
  H     16.43606494     10.49777026     -8.91417523
  O     18.05394783      7.68560101     -9.20502560
  H     14.94176521     12.02089557    -13.66274711
  H     17.67213321      9.58742266     -9.03259527
  O     11.99934917      7.21329773    -12.99351344
  H     15.20870918     10.51611786    -13.45664766
  H     14.65908461      8.96193727    -19.47819099
  O     19.55260387      9.98782870    -13.71341353
  H     17.12922546      8.13221851    -16.90150195
  H     15.42485693      8.49099991    -18.21609637
  O     18.17690821      8.10864316    -11.96027148
  H     16.22477394      6.87172918    -16.81420705
  H     12.67750208     10.19290590    -11.51689542
  O     17.35985353     10.48552428     -9.19533165
  H     15.01363997      8.38375866     -8.44278564
  H     14.11988401     10.73115255    -11.70672324
  O     14.73546904      9.10208031    -18.53912258
  H     16.20093425      7.45291474     -8.75314246
  H     14.34671833     13.68652972    -15.57904917
  O     13.54291870     10.25570484    -11.09222123
  H     14.42651441      5.84596161    -15.57464455
  H     14.88333107     12.28015187    -15.92915557
  O     14.36590866     12.78347409    -15.27452249
  H     15.65792023      5.94547404    -14.66276455
  H     12.92590010      7.89078695    -16.09341257
  O     13.20987619      8.80409686    -16.22792898
  H     15.40345491     10.68068600    -17.64471234
  H     13.64459927      8.86734150    -17.08824401
          69
 Energy    -249.40975766751208     
  O     12.08536079     10.30562386    -13.35554916
  H     12.56875896     11.11186957    -13.55954636
  H     18.75574697      9.24773809    -15.83858326
  O     16.61551723      6.74321360    -13.42669099
  H     12.23473725      9.70483143    -14.10121169
  H     16.27776568     10.42649401    -17.33974002
  O     17.97718015     10.77000470    -11.60821597
  H     16.20534727      6.61414589    -12.56112059
  H     15.63910728     11.71577700    -16.82387226
  O     16.05228220     12.93270955    -15.34404029
  H     17.44168628      7.22056661    -13.26941715
  H     14.49516868      8.82090135    -14.76897046
  O     12.70222892      5.79007753    -14.64064413
  H     17.90852247     10.53923720    -10.67528444
  H     15.74168300      8.15759797    -14.09089874
  O     14.70766900      9.29720097    -10.24159519
  H     17.06113739     10.85251991    -11.92046712
  H     11.19052730      8.96501228    -10.66512752
  O     15.57740980      6.66865426    -10.84169956
  H     16.37230051     13.72381407    -15.77237922
  H     12.05319799      9.41660761    -11.86673271
  O     15.38326385     10.79633770    -12.43705211
  H     16.83023765     12.51274091    -14.93681127
  H     18.60946270      7.47797740    -11.05254830
  O     15.90848357      6.91036282    -17.94098737
  H     12.81410545      5.95067773    -13.68609719
  H     18.02129265      8.02604786     -9.73912741
  O     17.20028463      8.95512853    -16.55677842
  H     12.01320808      5.13724138    -14.73073135
  H     12.64209065      7.18152083    -11.69399201
  O     15.35120796      5.59907348    -15.65353745
  H     14.94187518      9.84429106    -11.00732655
  H     13.88541765      6.27543515    -11.57347871
  O     19.55011167      9.47210328    -15.32181762
  H     13.75624068      9.15423382    -10.31724328
  H     18.31733525     11.61280680    -13.29160607
  O     15.59002592     11.07496607    -17.54051382
  H     16.49728668      6.65130371    -10.53967462
  H     18.77965741     11.09768210    -14.66152437
  O     15.39344439      8.98501270    -14.45277052
  H     15.25456329      7.55502303    -10.62937294
  H     18.53375661      9.18591634    -12.38559300
  O     12.05793907      8.88161769    -11.05213274
  H     14.81536769     11.52024413    -12.72031449
  H     19.20679729      8.62982076    -13.65108241
  O     18.21883694      7.20819824    -10.21227593
  H     15.40484725     10.15973957    -13.16967558
  H     17.18730337      9.92905115     -8.16116186
  O     13.03643400      6.36541721    -12.02445130
  H     16.08131569      6.28650342    -18.64030439
  H     16.28913425      9.55322169     -9.35936041
  O     18.28014988     11.80504250    -14.23670328
  H     15.70173187      6.38940419    -17.14325699
  H     14.31706699      9.74116300    -17.80922150
  O     18.81082668      8.36294490    -12.81294822
  H     16.56432608      9.04399088    -15.82980839
  H     14.46070782      8.21459921    -17.98454955
  O     17.21128341      9.68146406     -9.08233018
  H     16.87931219      8.23271349    -17.11168439
  H     13.42060738     13.52975686    -13.62381536
  O     13.81582841      8.91300061    -17.82308769
  H     14.43750992      5.57987127    -15.34371367
  H     14.53087461     12.76588106    -14.37586044
  O     13.78495267     12.65876509    -13.76298923
  H     15.88542680      5.86258847    -14.89232582
  H     13.03437064      8.65780389    -16.27010555
  O     12.79387357      8.52020170    -15.34027378
  H     20.29596713      9.39353989    -15.91050134
  H     12.67548460      7.57446631    -15.19236007
          69
 Energy    -249.40930143321120     
  O     11.76152004     12.27898592    -13.18049657
  H     11.39026201     11.40017568    -13.04303328
  H     18.56347392     12.09255383    -13.75436847
  O     19.65801714      8.75411290    -10.73049515
  H     12.01065899     12.60230443    -12.30483352
  H     13.45747211      7.31574384    -16.56568359
  O     16.89756681     11.09533001    -11.05474708
  H     18.81489769      8.67841276    -10.26531509
  H     13.26897414      7.79038010    -15.10687264
  O     12.50138399      7.51891472    -13.57458837
  H     19.67949362      8.01798106    -11.35378562
  H     15.60609846     10.62736119    -12.19612924
  O     16.69893825      6.53446953    -12.03284430
  H     17.69789296     11.07746032    -11.59600859
  H     14.62584315     10.94792738    -13.37691759
  O     13.99880406      6.18446864    -11.44881643
  H     16.87844080     10.25923497    -10.56812295
  H     14.59689861      9.62184303    -16.38423593
  O     19.40045350      6.82938674    -12.89574952
  H     11.92895088      8.19786174    -13.19715608
  H     14.68813254     11.09357252    -15.92250851
  O     14.10670084     12.19424217    -14.59629609
  H     12.97426469      7.10704775    -12.84222380
  H     14.06146298      7.41758089     -9.93265268
  O     18.45489996      8.80400318    -14.62054882
  H     17.63423817      6.40084915    -12.22161498
  H     13.75480012      8.88804531     -9.63102735
  O     16.88508312      8.52257648     -9.98725974
  H     16.35866774      7.05459080    -12.78016447
  H     16.74522586     13.62762621    -14.01030720
  O     17.78470861     10.71410589    -16.55993785
  H     14.95623817      6.19692799    -11.60815448
  H     16.12863310     15.04366402    -14.10530795
  O     18.06300007     12.59105609    -14.41260717
  H     13.77332144      5.27765284    -11.25001440
  H     15.56550468     13.75706266    -11.99677733
  O     13.80518360      7.91547314    -15.91134630
  H     19.17804245      7.49073295    -13.57167219
  H     15.93702741     12.67982940    -10.95522381
  O     14.88233381     10.27440062    -12.73319328
  H     20.11102653      6.30275024    -13.25400520
  H     12.44306475     13.63655377     -9.93037587
  O     15.09485620     10.43716103    -16.50655938
  H     14.65198755     12.95595643    -14.36383689
  H     13.67991680     13.19547560    -10.74833732
  O     14.24050046      8.12124082     -9.29781641
  H     13.23112359     12.30865093    -14.19736479
  H     18.92939955     10.07211852    -13.33530309
  O     15.95720779     14.15884763    -13.79429979
  H     18.40508900      9.40164082    -15.37662985
  H     19.49955926     10.15530313    -11.90913181
  O     15.33867569     13.42072905    -11.12126786
  H     17.53597782      8.55350156    -14.43711956
  H     10.12380083      9.43883681    -11.91343976
  O     12.74139699     12.99817207    -10.57190930
  H     16.02486021      8.43773098     -9.55145386
  H     11.61791733      9.75714812    -11.67072026
  O     19.16048705     10.69832615    -12.63577202
  H     16.87398202      7.85516566    -10.68507380
  H     13.66280011     10.17512781    -11.41031442
  O     10.95511996      9.58002505    -12.36053468
  H     16.81675583     10.59899661    -16.56820505
  H     12.90269971     11.16029922    -10.48593841
  O     13.01521117     10.22300340    -10.68934219
  H     18.04390578     10.91663955    -17.45479767
  H     15.48960432      8.87360083    -13.57452890
  O     15.86374445      8.11894695    -14.05640063
  H     17.98568027     12.01541240    -15.18300933
  H     15.25623128      7.92450426    -14.77847283
          69
 Energy    -249.40895654491689     
  O     14.59028025      8.87871768     -9.49367527
  H     15.09133784      9.70274927     -9.64045832
  H     13.64398737      6.50303301    -15.44303712
  O     15.38758887      5.18087156    -13.09180724
  H     14.14158198      8.97158862     -8.65778630
  H     19.09599574      6.11805877    -16.69073140
  O     15.57275693     12.55819514    -12.38844549
  H     15.65838826      4.83594882    -13.95771696
  H     18.68464894      6.36648975    -15.22119272
  O     17.53964521     11.50327673    -14.20528889
  H     16.12558225      5.05053604    -12.48410663
  H     14.86418830     10.76574430    -15.17235234
  O     11.05586137      8.06950755    -15.17742162
  H     14.86455921     12.07255443    -12.84415488
  H     15.72818623      9.84810981    -16.09742666
  O     17.02802807      7.40999672     -9.90032863
  H     15.32363840     13.47949438    -12.39977260
  H     15.87588341      6.93862345    -13.29515832
  O     12.97542378      6.53966638    -13.69889753
  H     16.99159724     11.95394271    -13.55134264
  H     16.10441369      8.02961072    -14.37547538
  O     13.71222834     11.00467868    -13.68106310
  H     16.95325996     11.33869461    -14.95426113
  H     18.07812939      4.63064555    -10.91159325
  O     12.94949131     10.39134321    -17.36292339
  H     11.29823192      7.88186285    -16.09324662
  H     17.44253514      6.03979904    -10.88106986
  O     16.06667230      4.58021312    -15.67921650
  H     11.56014527      7.45324601    -14.63261523
  H     17.55073756      8.72927266    -12.97429763
  O     16.22743835      8.12235942    -16.17576087
  H     17.63149953      8.16315047     -9.91765925
  H     18.22999563     10.04751433    -13.41426835
  O     14.03579179      6.45800630    -16.32639125
  H     16.15345942      7.77867543     -9.73153769
  H     19.10068435      7.54309679    -13.35011206
  O     18.34297450      6.27998725    -16.12877989
  H     13.64042558      5.90055539    -13.40896350
  H     18.73337623      6.12269636    -12.86814875
  O     15.40607961     10.75404872    -15.97370791
  H     13.11390294      7.31641280    -13.13792701
  H     18.61810773      9.58536848    -11.22808390
  O     16.04650376      7.88144152    -13.42217545
  H     13.69094238     10.22098981    -13.11164155
  H     19.52141461      9.96876683    -10.03043032
  O     17.68637704      5.30041016    -11.46644057
  H     12.85364864     11.04814978    -14.11930851
  H     12.46399350      8.75984103    -17.74502720
  O     18.37719009      9.23275481    -12.91222196
  H     12.35168806     10.66954412    -16.65806206
  H     11.74727315      7.76258394    -18.68891152
  O     19.18910036      6.60553534    -13.56815687
  H     13.84004162     10.59589153    -17.05040328
  H     17.02008757     10.71891461    -10.09161574
  O     18.62624611      9.74214433    -10.26696906
  H     15.34487791      5.08769280    -16.07449781
  H     15.96145522     11.58868209    -10.81929249
  O     12.13895599      7.84467229    -17.82397227
  H     16.87796962      5.05426009    -15.89954775
  H     10.42577565     11.17016497    -14.97587729
  O     16.10907815     11.03574209    -10.04259523
  H     15.45735970      7.55306914    -16.32330921
  H     11.15951147      9.80905829    -15.02630197
  O     11.28979856     10.77438045    -15.05068130
  H     17.01486172      7.57158069    -16.27155622
  H     13.94680054      8.74266948    -11.21327103
  O     13.80462928      8.72926413    -12.16703990
  H     13.39340718      6.83623221    -16.93954934
  H     14.65317119      8.48343771    -12.57260089
          69
 Energy    -249.40824937710261     
  O     17.47528761      8.75619398    -14.82516278
  H     17.71029407      8.85371212    -13.88919034
  H     13.80218302      3.66789181    -11.41794947
  O     13.15143577      4.46092226    -15.86143540
  H     17.68054061      7.84922681    -15.08672540
  H     13.47683701      4.29447327    -14.06811373
  O     13.23110793      8.79387269    -12.06155426
  H     13.91707675      4.93319489    -16.23550009
  H     13.05215641      5.10082848    -12.81273409
  O     13.91046427      6.48177044     -8.28760963
  H     12.89332783      3.80840534    -16.50708165
  H     15.35230310      9.42748538     -9.98393112
  O     11.25043952      6.46712186    -14.99698817
  H     13.85186334      8.46476107    -12.73231695
  H     14.20475150      8.59166420    -10.56518885
  O     16.36304958     10.50421435    -16.59778367
  H     13.21374090      9.75071417    -12.16788243
  H     15.72809476      8.31330782    -14.27145179
  O     15.29517495      5.76925183    -16.85712375
  H     14.22362151      7.30469397     -8.68631205
  H     15.24023987      6.95574010    -13.74870586
  O     16.10062624     10.92675176    -10.93390752
  H     14.63404539      5.85020292     -8.38167865
  H     18.49384991      5.39845535    -15.43244966
  O     15.91685576      4.55534712     -9.04634332
  H     11.81871689      5.76431138    -15.33672423
  H     17.26248406      5.71043566    -14.54802511
  O     14.77631670      8.34262380    -17.73423162
  H     11.29005779      6.39908825    -14.03505611
  H     14.81134550     10.99005978    -15.62703526
  O     11.77892713      5.36038976     -9.54843897
  H     17.02005450     11.02005735    -17.05803943
  H     13.46457545     10.29349203    -15.34021364
  O     13.82538500      3.55882353    -10.45820017
  H     16.84339639      9.92207024    -15.98417398
  H     12.24310666      7.24941980    -12.11217655
  O     13.65785176      4.41313740    -13.12663251
  H     15.14163578      6.64101235    -17.25114158
  H     11.72938818      6.03800099    -11.28880840
  O     14.86701452      8.60469154     -9.85775477
  H     16.16554488      5.80887924    -16.44984675
  H     13.61543793      8.25836365    -15.16519742
  O     14.94198910      7.84673914    -13.96390829
  H     15.34737655     11.17836444    -11.49166121
  H     12.15734801      7.95775748    -15.54590709
  O     17.75537437      5.99463286    -15.33828285
  H     16.47700398     11.73799811    -10.60009258
  H     13.93981356     11.40975805    -13.42684520
  O     14.01598511     11.04692989    -15.08451922
  H     15.21362966      4.12856841     -9.56882414
  H     13.22875419     12.27325294    -12.35942150
  O     11.88785438      6.35309943    -12.18754875
  H     16.33746552      3.86800910     -8.53716604
  H     15.35563663      4.97088773    -13.12278185
  O     12.87527047      8.58588136    -15.69792972
  H     15.34178912      9.08746149    -17.50450474
  H     16.38833761      5.83127748    -12.31423340
  O     13.84499352     11.55344497    -12.46654634
  H     13.97969146      8.45162363    -17.19522100
  H     17.59651474      8.11168502    -11.63355849
  O     16.19480297      5.44853186    -13.18132252
  H     12.48529153      5.80786857     -9.04931315
  H     17.28227660      9.61964081    -11.72417103
  O     17.81158145      8.91691938    -12.11986283
  H     11.06016274      5.21472213     -8.93906208
  H     16.04147519      7.31905858    -10.44145295
  O     16.67988981      6.65434027    -10.73560226
  H     13.04767658      4.02474369    -10.12675479
  H     16.57953644      5.90860722    -10.12969773
          69
 Energy    -249.40797839620828     
  O     -5.04508883      3.55846566      3.67708912
  H     -5.06485379      4.23034643      2.96980818
  H     -5.26919114      5.05472435     -1.69145768
  O     -3.98947334     -0.83228530     -0.61224993
  H     -5.92807145      3.49630998      4.02906979
  H     -0.80651414     -0.89627647     -1.17857190
  O     -2.12649783      4.83957657     -1.70683232
  H     -4.13653253      0.12770366     -0.64751945
  H     -2.29484438     -0.92121186     -1.55894732
  O     -4.12893265      1.93688633     -0.50107048
  H     -4.80079036     -1.24340033     -0.90033846
  H     -0.90111528      2.11533501      6.40154174
  O      1.70326290     -0.71533933      2.83978838
  H     -1.79313281      3.96188175     -1.92783198
  H     -0.92300588      1.53730029      4.97086691
  O      1.73353936      5.34555504      1.61334607
  H     -1.57663718      5.19047507     -0.99208238
  H     -2.34323929      7.37364597      3.18161108
  O     -0.95565290      3.15236227      1.59326093
  H     -3.88757511      1.97879951      0.43674626
  H     -2.35760035      5.84417005      3.40251358
  O     -0.77794507      0.04069186      4.05284716
  H     -4.47624046      2.80629490     -0.73289663
  H     -2.50581001      2.45099501      2.05685365
  O     -2.48698905     -0.60889788      1.82224451
  H      2.13140322      0.15721055      2.76794785
  H     -3.92522350      2.44384520      2.73351154
  O      0.02821512     -0.71815235      0.58657560
  H      2.35644358     -1.31536517      3.18890913
  H     -3.43171938      4.18796332      4.43315537
  O      2.75048837      1.75516091      2.63945202
  H      2.21999293      4.70014785      1.08500693
  H     -2.00082831      3.81940704      4.88157593
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  H     -1.53146075      1.07983005     -2.14757728
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  H     -2.50124989      2.04528767     -1.45025902
  O     -0.93815940      2.36554295      5.48189915
  H     -0.42602139      2.62543215      0.98093630
  H      0.41788210      3.24577624      4.46097117
  O     -2.38959204      6.53945336      2.72107227
  H     -1.41962469     -0.30912667      3.42453982
  H      0.22030449      3.40367362      2.95345492
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  H      0.08640760     -0.23549974      3.72361107
  H     -4.01487204      5.88249906      1.93178663
  O     -2.54623879      4.54928592      4.56617544
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  H     -4.78456833      5.18025980      0.77744666
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  H     -0.16334386      1.97938510     -0.97879479
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  H      0.45608552      0.91637395     -0.02907040
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  H      3.45082589      3.14390172     -0.60700576
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  H      2.97380436      2.18572129      1.80646491
  H     -1.31044856      6.13147879      1.28352641
  O     -0.78360402      5.72642789      0.58196941
  H     -3.79560408      4.78202883     -1.30491000
  H      0.14102005      5.72381808      0.87474924
          69
 Energy    -249.40747239992976     
  O      1.96736410     -1.06607353      4.90511564
  H      1.84099855     -0.12003650      4.75783645
  H      1.76151862      0.25232793      1.11256614
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  H      1.64310922     -1.53212150      4.12230751
  H      0.00426258      2.25340361      1.70837971
  O     -3.01371948     -3.65461420      6.73875453
  H      1.88907998      1.38727669      7.80476302
  H     -1.21809485      1.38291642      1.38430224
  O     -0.29410274     -1.33699978      9.98756064
  H      2.44051717      2.82873743      7.74297442
  H     -1.33127112      2.15573465      3.55341914
  O      1.64952939     -4.71314032      7.03878385
  H     -2.24129283     -3.69407539      7.32004938
  H     -1.86861169      1.12952430      4.58624024
  O      0.86980305     -2.39205682      2.74518255
  H     -3.44954257     -2.81556561      6.92481202
  H     -0.38752115     -0.49554169      0.56195056
  O      0.53749896     -4.53794910      4.57860132
  H     -0.50835079     -1.20500949     10.90777001
  H     -1.64366289     -1.01900111      1.28034351
  O      3.03914583     -2.19346887      7.20348758
  H     -0.86948580     -0.74250111      9.47620472
  H     -1.21743149      2.54703509      6.28825697
  O      1.98022670     -0.10727603      8.65878954
  H      2.08528936     -5.55613521      7.13057295
  H     -0.06135943      2.60054063      7.30943697
  O     -0.59355571     -3.47369613      8.13107753
  H      1.29114085     -4.67992172      6.13288839
  H      2.56480313      2.59355681      1.80625966
  O     -1.91882882     -2.21794166      2.74593507
  H      1.19680757     -1.89177137      1.98816566
  H      1.83979806      1.80786129      2.91917509
  O      1.57784188     -0.60256862      0.69192392
  H     -0.09455544     -2.30150145      2.73949838
  H      0.43853603     -1.28446741      5.88562038
  O     -0.95160101      2.21323873      1.80736582
  H      0.79899135     -3.90043750      3.90308881
  H     -0.45646839     -2.18767831      6.79054327
  O     -1.35862328      1.94521323      4.49909470
  H     -0.41949712     -4.62999156      4.49448340
  H     -2.60226360     -4.23701212      5.14747403
  O     -1.32557560     -0.31868779      0.69672578
  H      2.66616408     -3.08163014      7.20294572
  H     -2.82445974     -5.34293665      4.09100339
  O     -1.02333840      2.62038423      7.23309306
  H      2.81929334     -1.81946950      6.33762524
  H     -1.56492030      1.09938590      7.97593645
  O      1.97931678      1.85551934      1.95816392
  H      1.28998965     -0.50762902      9.19521282
  H     -1.19159424     -0.32615504      7.51527406
  O     -0.44056754     -1.37489959      6.27084672
  H      2.42839219     -0.84071446      8.21057245
  H     -4.83892752     -0.64944030      7.62668380
  O     -2.30689431     -4.56423657      4.27933471
  H     -0.39656013     -2.87726472      8.86396936
  H     -3.29761397     -0.54058486      7.66069948
  O     -1.70691023      0.16287566      8.17636279
  H      0.21049945     -3.96013846      7.90399648
  H      1.64929480      1.90375172      5.52058022
  O     -4.04210173     -0.99510729      7.23245788
  H     -2.12068333     -3.07690759      3.13700181
  H      0.42334284      1.71663159      4.58552051
  O      1.38897575      1.64283599      4.62771919
  H     -2.24746935     -1.56228306      3.37830843
  H     -1.79922576     -0.89507892      5.26070728
  O     -2.59376437     -0.54189843      4.82552902
  H      2.12583738     -0.64903168     -0.08802063
  H     -3.30108164     -0.63764981      5.47164770
          69
 Energy    -249.40721254028603     
  O     16.84926798      8.93298085    -15.00523708
  H     16.46018762      9.59229557    -15.59017746
  H     12.65178115      8.80532532    -12.52822442
  O     15.36526181      7.76626635     -8.50567944
  H     16.44349441      9.02888999    -14.12913388
  H     12.80705202      9.54711340    -10.31192409
  O     15.79899268     11.05305596    -16.47900004
  H     16.00205934      7.60340841     -9.22361591
  H     11.27029258      9.44712425    -10.46480729
  O     13.29885003      6.58765479    -10.07456712
  H     15.80383405      7.53681314     -7.69068369
  H     18.63194044      5.04393642    -12.11397861
  O     16.58904889      6.18348306    -14.85018249
  H     16.37321440     11.65493032    -15.96973181
  H     19.63493903      5.43844480    -13.19943048
  O     19.47224067      8.71650648    -14.36504476
  H     15.80117779     11.36032970    -17.38090990
  H     16.84778544      6.45471456    -11.12375370
  O     19.72175371     11.40576169    -13.77004993
  H     12.77976551      7.35958931    -10.32934540
  H     17.83803497      7.62725871    -10.87914421
  O     19.45006543      8.03400121    -11.59628998
  H     13.95314918      6.90935936     -9.44258361
  H     15.64105954     12.41634195    -12.15296823
  O     13.95729817      4.59632789    -11.78309550
  H     16.68673310      7.13647210    -14.98819050
  H     14.98521713     13.78287176    -12.45829249
  O     13.77421879     11.09240292    -14.45184178
  H     15.63331863      6.03973957    -14.77048924
  H     18.37070471      5.92194222    -15.05367676
  O     13.92608567      6.07331774    -14.25023438
  H     18.54930049      8.86585545    -14.62910112
  H     19.61679210      5.40574686    -15.80301000
  O     13.13161847      8.64958873    -13.35153468
  H     19.67259687      7.81781566    -14.64876666
  H     16.06462203      8.30324764    -11.87994071
  O     12.09157227      9.07837351    -10.77851441
  H     19.74159541     10.47176125    -14.03523448
  H     14.82006649      8.75559928    -12.73122617
  O     19.54174473      5.34108756    -12.24356904
  H     20.57471975     11.77019909    -13.99715550
  H     16.70124998     12.80025758    -14.12640790
  O     16.96155173      7.29019558    -10.64854142
  H     19.63110594      7.08426381    -11.66254444
  H     18.11161736     12.22430014    -14.43649684
  O     15.30419943     12.98292213    -12.86813166
  H     19.44231292      8.34841447    -12.50974427
  H     17.21597421     11.15631077    -10.92077362
  O     19.34275845      5.93584593    -15.05842790
  H     13.43187992      3.82870886    -11.57401303
  H     16.03888400     10.43036398    -11.61097890
  O     15.74347156      8.94935426    -12.52047347
  H     13.69590805      5.29425059    -11.15627066
  H     15.78703858      4.77062298    -12.05997304
  O     17.30984966     12.57392009    -14.84195065
  H     14.32793096     11.06004756    -15.24131447
  H     16.67359654      5.45351865    -13.13117164
  O     16.25987942     11.19880985    -11.06107892
  H     14.18108811     11.75846295    -13.88533540
  H     19.27301277     11.13296025    -11.91034016
  O     16.68706557      5.06963807    -12.24293899
  H     13.56404903      6.94234464    -14.03073958
  H     19.23757173      9.87845096    -11.02722381
  O     18.98312961     10.80928431    -11.04851890
  H     13.81660356      5.53243669    -13.45922285
  H     14.89693705     10.64709955     -9.90208530
  O     14.18429062     10.17734959     -9.45021608
  H     13.24532234      9.50727393    -13.79103064
  H     14.60045396      9.42639532     -9.00790191
          69
 Energy    -249.40694089309778     
  O      3.70899068      0.82507565      6.47019237
  H      4.31444323      0.98630258      5.72477378
  H      3.19933827      2.71658550      6.57797481
  O      1.84841054      4.50483479      0.26005536
  H      4.21882279      0.39135980      7.14924458
  H      1.69116711     -0.07234454      2.17493127
  O     -1.02916309      4.53043161      0.45247500
  H      0.90374703      4.67256422      0.34951517
  H      2.03030036     -0.22801226      3.67314897
  O     -0.20977237     -3.08668571      2.16993265
  H      1.92080152      3.73233763     -0.31881245
  H      2.79452126      3.97231960      1.63829883
  O     -0.69062265     -2.42463618     -0.38002188
  H     -1.57816267      5.25076895      0.15455939
  H      3.61439759      2.71000660      2.07926753
  O      3.90815077      0.12894365     -0.95341228
  H     -1.07912852      3.83675203     -0.23028793
  H      2.39844939     -2.41600545      0.31491154
  O      0.58060302      0.97841593      1.26329703
  H      0.73850314     -3.24203870      2.24344175
  H      1.21648681     -2.01327958     -0.58052222
  O      1.22489041      3.17306646      4.27568933
  H     -0.44284701     -2.45429508      2.86616187
  H     -3.49113006      0.86327265      3.01557232
  O     -0.97469780      2.85895458      2.68943409
  H     -0.57532812     -2.70058173      0.54887030
  H     -2.11602070      1.50034483      2.70650110
  O      5.33599887      1.48331503      4.37930784
  H     -1.03326380     -3.17922554     -0.85160031
  H     -0.04800346      2.32634998     -1.48633531
  O      4.92391127      4.30597386      4.39719435
  H      3.28606658     -0.60804942     -0.81494123
  H     -1.36339568      1.67350460     -1.00869878
  O      2.95195038      3.62633504      6.37205801
  H      4.51815639     -0.15343646     -1.62988126
  H      3.67773423      0.48332372      2.14463650
  O      2.32788365     -0.47158194      2.78782781
  H      0.17601273      1.67152645      1.79913477
  H      4.34687886      0.80383383      0.79452746
  O      3.23858948      3.54583956      2.38570263
  H     -0.14802161      0.57120927      0.77590461
  H      2.56682295      1.46090849     -1.17791838
  O      2.16833571     -1.90913222     -0.47457099
  H      1.66344725      3.43934466      5.09597107
  H      1.42081576      1.67738953     -0.18029584
  O     -2.63596642      0.68146953      2.63323622
  H      1.88720669      3.27584408      3.57744343
  H      3.36516715     -3.48439242      2.54541743
  O     -0.98886965      2.49759773     -1.34815709
  H     -1.01479000      3.53441931      1.99928052
  H      2.58997379     -2.15208076      2.39852804
  O      4.34030481      1.05411919      1.72510426
  H     -0.29487517      3.10601503      3.33290996
  H     -1.49403702     -0.80186185     -0.18028859
  O      1.79734649      2.01438882     -1.00851967
  H      5.36295187      2.44794615      4.42711337
  H     -2.18808813      0.16577880      0.84384167
  O      2.64955104     -3.06827256      2.07288942
  H      5.16971175      1.27223094      3.45266028
  H     -1.47568689     -0.51540596      3.61600405
  O     -1.73989481      0.11808831     -0.01066972
  H      4.33316002      4.14742418      3.63995142
  H     -0.21857060     -0.59827078      4.51317623
  O     -0.85556946     -1.13128257      4.02296791
  H      5.43393443      5.08427297      4.18918536
  H      1.15271012      1.40306775      4.83708586
  O      1.26092667      0.49046993      5.13949024
  H      3.67302857      3.97234601      5.82990231
  H      2.02881412      0.49769489      5.72594942
          69
 Energy    -249.40690416054997     
  O     12.73904375     10.07767219    -11.52137753
  H     12.43433722      9.18255244    -11.33269968
  H     16.46793020      7.10349614    -12.52065577
  O     13.35137872      7.06766490    -13.12356965
  H     11.97690698     10.60162142    -11.79680035
  H     13.52565697     15.75322827     -7.70173039
  O     10.65233464     11.77545996    -12.25665165
  H     12.80891911      7.04968262    -12.32265321
  H     13.67851802     15.15561786     -9.11984404
  O     14.42147182     11.12872319     -9.66000385
  H     12.85714004      7.59089543    -13.76592179
  H      9.79047557     11.74309728     -9.35365175
  O     15.58644050      8.65254711     -9.48873534
  H     10.46963182     12.10717782    -11.36678835
  H     11.11333548     12.49993317     -9.12213280
  O     12.08245575     15.88829683    -12.30607883
  H     11.28417228     12.37779215    -12.67172296
  H     12.67146508      8.51276933     -7.83213310
  O      9.18340189      8.02020198    -10.78330618
  H     13.76044052     10.79786542    -10.29004337
  H     13.19344735      7.08791465     -7.54861647
  O     12.68989508     13.33967749    -13.30149753
  H     15.00688801     10.37753559     -9.49562199
  H     11.46424421     10.01731413     -6.20783818
  O     14.38962348     15.27720223    -10.70813399
  H     15.67936303      8.29990270    -10.38324138
  H     12.07468880     10.80098330     -7.38573668
  O     11.91775489      7.48534696    -10.77593083
  H     14.80411597      8.23849108     -9.10695972
  H     14.91634238     12.32964110    -10.95889006
  O     10.83767586     15.25847076     -9.97564096
  H     11.73882207     16.70086262    -12.66690251
  H     15.29095806     12.04250990    -12.40745683
  O     15.82257105      7.73618843    -12.21647741
  H     11.55691725     15.68794744    -11.51061774
  H     12.22173898      9.56546763    -14.96866990
  O     13.17304727     15.09018339     -8.28921930
  H      9.29923663      8.48207796    -11.63520493
  H     11.60062409      8.41895519    -15.79296538
  O     10.28441630     12.53285788     -9.61778978
  H      8.40218013      7.48041497    -10.86708275
  H      9.87861321     10.24774817    -12.86936381
  O     13.09413497      7.74028469     -8.23896453
  H     13.48493524     13.15394612    -12.78345028
  H     10.34326313      9.04517966    -13.71700191
  O     11.76177650      9.92283721     -7.11040905
  H     12.44757489     14.25341974    -13.10494732
  H      9.28611638      9.35942534     -9.45255784
  O     15.05196426     12.76535267    -11.81292826
  H     14.77364774     14.49280863    -11.12089631
  H     10.13575414      9.85899829     -8.25891288
  O     11.78076765      8.70069451    -14.89916899
  H     13.71278930     15.59543442    -11.31835941
  H     13.93472244     10.79157306    -14.54126451
  O      9.68046192      9.32230494    -13.07338989
  H     10.95707238      7.56709129    -10.71257800
  H     12.89076570     11.91421476    -14.62082577
  O      9.37434247     10.07316695     -8.80877941
  H     12.27964644      7.48226494     -9.88134461
  H     15.51902067      9.49413359    -12.92256520
  O     13.13169999     11.06464704    -15.00790744
  H     10.45305270     14.37646759     -9.88359374
  H     14.20170302     10.21800399    -12.62823236
  O     15.03050789     10.29804635    -13.12794144
  H     11.53080773     15.30890529     -9.30622034
  H     13.34610343     11.95431529     -8.58541443
  O     12.63811371     12.35072454     -8.05155210
  H     14.96185648      7.44936255    -12.57177376
  H     12.82756916     13.29489727     -7.99334315
          69
 Energy    -249.40605030880732     
  O     10.52331544     10.36967195    -10.92441145
  H     11.16179541     10.78726976    -10.31919082
  H     10.19114219     10.78942716    -18.09370359
  O     14.65019724     10.94356225    -12.65937318
  H      9.75803663     10.14258031    -10.40290219
  H     14.06082646     13.82596490    -14.13078026
  O     17.14301407     13.17463919    -13.95816331
  H     14.41257515     10.21131012    -12.07990050
  H     13.87665790     14.52402657    -15.48633637
  O     10.78093557     11.84661504    -13.30182500
  H     15.56946444     11.16485650    -12.46090523
  H     18.67848512     11.35420590    -16.61315340
  O     12.34094523     14.94673041    -16.49202223
  H     17.46113265     12.66994646    -14.71825363
  H     17.64180779     10.59279962    -15.75187949
  O     15.21604012     12.14197537    -16.79680002
  H     16.34950274     13.63465085    -14.25336711
  H     13.50559599     13.73259942    -11.05873378
  O     14.62119710      9.90481634     -8.72159142
  H     10.56232797     11.41947641    -12.46504923
  H     13.62334677     14.80316636     -9.94945166
  O     13.13589553     13.17243405    -12.69926263
  H     11.08891928     11.14034705    -13.89007174
  H     17.10808507      8.85270172    -14.14577523
  O     14.34749833     10.00595818    -15.24737295
  H     11.99334411     15.79369542    -16.75855104
  H     16.05552303      9.21691557    -15.20813879
  O     17.16395051      8.65289286    -12.24407320
  H     11.59345874     14.44084149    -16.12498849
  H     15.62806930     11.45062317     -9.22997842
  O     12.36250885     11.50523020     -9.30641309
  H     16.16082507     11.95779297    -16.73464093
  H     15.32654683     12.86129706     -9.76654492
  O     10.68239786     11.08342171    -17.33128141
  H     15.01685846     12.83082738    -16.14446296
  H     12.58407567      9.80378782    -15.15239315
  O     14.53860986     14.09622148    -14.92748893
  H     14.78708733      9.30422452     -7.99975079
  H     11.22049658     10.10025610    -15.81439733
  O     17.86433334     11.46250272    -16.12943500
  H     14.59052586      9.36918166     -9.53348351
  H     12.64540598     13.47449414    -17.71219633
  O     13.72825331     13.87114045    -10.12265876
  H     13.69372332     12.37830933    -12.65657205
  H     13.68655386     12.35475359    -17.82210270
  O     17.00635261      9.10723430    -15.06981849
  H     12.24944038     12.85264307    -12.91090171
  H     11.56569548      9.08777972    -11.89272968
  O     16.03946391     12.22502510     -9.63362109
  H     14.58321690     10.71960501    -15.85613884
  H     11.93465535      8.79574230    -13.35471010
  O     11.62743270      9.79124113    -14.99581917
  H     14.46530836     10.35243085    -14.34986477
  H     16.97685185     11.74239384    -11.06776544
  O     12.79601869     12.60498091    -18.10286200
  H     17.30483808      9.60444304    -12.09163968
  H     17.36504265     12.07945361    -12.55942686
  O     12.15289955      8.55707382    -12.44625286
  H     17.91155756      8.20184481    -11.85888723
  H     10.28261923     12.61467701    -16.22998076
  O     17.29499113     11.36876756    -11.90443808
  H     12.75543374     12.36368610     -9.50404541
  H     10.34421204     12.95647977    -14.73507968
  O     10.31589614     13.35717571    -15.61379073
  H     13.08870550     10.94363494     -9.00803432
  H     13.73376006      8.38289234    -11.62593466
  O     14.52094013      8.58632381    -11.09578329
  H     11.46002064     11.56416453    -17.66813864
  H     15.32472885      8.40974087    -11.59905258
          69
 Energy    -249.40532249703875     
  O     13.17138526     11.80439853    -13.21511453
  H     13.09599048     12.74725298    -13.33686939
  H     12.59600004      7.62426349    -16.32240454
  O     14.26421501      6.34823517    -13.91573538
  H     13.49359681     11.43652049    -14.05642485
  H     18.87739622      4.23427148    -15.16731389
  O     18.35255675      7.79009302    -11.99034556
  H     13.81334563      6.41966282    -14.77057847
  H     19.10658956      5.67300660    -14.63480265
  O     19.82032901      8.77757553    -16.25943786
  H     13.76900411      6.84798899    -13.25097145
  H     17.47018641     10.84278063    -16.25061730
  O     11.51871961      9.12924605    -15.96143888
  H     18.31227744      7.79815294    -11.02603984
  H     17.88741721     10.76828758    -14.74658597
  O     15.44318252      8.97124255     -9.14612432
  H     17.72765650      7.11125951    -12.28416693
  H     15.22470166      7.77039717    -14.47875788
  O     13.22534346      7.95692921    -11.91596413
  H     19.30734515      9.57454223    -16.03002870
  H     16.38632304      8.14274560    -15.43376146
  O     17.16601920     10.05083199    -13.10093136
  H     20.52941745      9.06152346    -16.82934793
  H     16.36022675      5.43111437    -11.01195612
  O     15.39166462      7.87073943    -18.17721983
  H     10.68599824      9.32139597    -16.38386904
  H     16.82640927      6.13468830     -9.71999255
  O     13.76619275      6.65612818     -9.50452785
  H     11.37566808      9.22151986    -15.00215427
  H     11.87280130      8.90971188    -12.76366388
  O     17.52960744      7.19548328    -16.58247600
  H     15.22994526      9.52635595     -9.90830104
  H     11.81176206     10.39602589    -13.15199449
  O     13.25623102      6.92436478    -16.40402655
  H     14.78540545      8.26529322     -9.13912102
  H     19.62527132      7.35041200    -13.28343852
  O     18.43238931      5.05496360    -14.97480863
  H     13.28244012      7.46697510    -11.08579745
  H     20.09287653      7.67466790    -14.72918228
  O     18.22726110     10.83190613    -15.64709659
  H     13.82820002      8.70979005    -11.83258507
  H     17.24565423      5.31272579    -13.53412395
  O     15.73971427      8.51195351    -14.82081082
  H     16.63097109      9.53630704    -13.72774765
  H     15.81429474      5.81485481    -13.20589131
  O     16.16462141      5.52572692    -10.06983096
  H     17.71062735      9.39278560    -12.64788291
  H     17.02153120      8.22726966     -9.16460781
  O     11.37045317      9.54885449    -13.28765164
  H     15.45343134      7.53085843    -19.06729468
  H     18.34076723      7.86722344     -8.43959394
  O     20.07727387      6.98311750    -14.05573993
  H     16.17528203      7.54539257    -17.70337157
  H     15.25252577     10.83582143    -16.85303321
  O     16.69200366      5.66147859    -12.82615408
  H     14.58960896      6.17452611     -9.70346183
  H     15.83367597      9.77266284    -17.77931094
  O     17.84401490      7.71005418     -9.23769539
  H     13.27750799      6.12331895     -8.88348362
  H     15.69413355     10.25128444    -12.05440699
  O     16.02624489     10.63571829    -17.39577352
  H     18.33038943      7.73755368    -16.57447524
  H     14.27459495     10.87660909    -12.02208227
  O     14.84536304     10.22995821    -11.59002420
  H     17.74102435      6.38017628    -16.11085815
  H     14.55694865      9.80656638    -15.30041767
  O     13.93336557     10.51757576    -15.51510458
  H     13.92415187      7.25277834    -17.01725728
  H     13.11477555     10.09294251    -15.80186285
          69
 Energy    -249.40410855371232     
  O     14.67697840      9.63761324    -10.33390349
  H     14.45420059     10.15922563    -11.11902187
  H     12.33459601      7.51935891    -10.53837425
  O     13.19579251     10.56068056    -16.15027917
  H     13.88037356      9.17035167    -10.05592799
  H     18.61287943      7.83956194    -15.26941836
  O     16.99021518     10.90061731    -13.47632433
  H     12.98384458      9.84510159    -15.53819515
  H     19.08747948      7.35556160    -13.89080384
  O     17.16564060      6.89946415     -8.32345628
  H     13.15395126     11.37453378    -15.63260505
  H     14.47147896     12.95188700    -14.82408217
  O     16.10456729     12.75810117    -15.40818328
  H     17.57364809     10.82037777    -12.71237080
  H     13.20287326     13.76112406    -14.45664511
  O     15.91420041      7.67258324    -11.96219415
  H     16.08079752     10.79030789    -13.16866126
  H     13.83615514      8.15617393    -14.42346038
  O     14.23195852     10.75523883    -12.78364254
  H     17.61617381      6.63105344     -7.52635824
  H     12.64828361      7.97648931    -13.45804248
  O     18.69149007      7.81075514    -12.11246692
  H     17.58736764      6.41489450     -9.05609668
  H     15.52085799     10.76145280    -18.33363267
  O     18.69432423     10.51194701    -11.24978644
  H     16.05384567     12.18348945    -16.18263346
  H     14.74484507     10.61301820    -17.00437764
  O     17.10748964      5.18539966    -14.52223849
  H     16.56715867     12.24435953    -14.73179418
  H     13.08373280      6.06247701    -11.98313188
  O     16.86300961      3.88170227    -12.19393278
  H     15.54417321      8.34057631    -11.37345708
  H     11.60487800      5.96851270    -12.41694277
  O     12.50447935      7.98111876     -9.70257842
  H     15.52166861      6.82462438    -11.71809916
  H     13.89572969      6.75932556     -8.90829227
  O     19.07190321      7.11451881    -14.82741771
  H     13.93908450     11.55234512    -13.24187184
  H     15.37755031      6.40015494     -8.59855124
  O     13.56126984     12.87868187    -14.48288497
  H     13.81132971     10.00534963    -13.22797070
  H     14.57016818      5.37792105    -10.48520601
  O     13.03110954      8.58939572    -14.09294736
  H     18.89286667      8.71191360    -11.83737629
  H     15.28725153      4.67303381    -11.69337540
  O     15.63089656     10.74020375    -17.38671206
  H     17.72417899      7.74361325    -12.09125837
  H     17.87914545      4.97353306    -10.98325651
  O     12.27532357      6.58486758    -12.13058199
  H     19.38835889     11.08722084    -10.93955978
  H     18.62930638      6.32383848    -11.00141145
  O     14.52125214      6.02941796     -8.85134020
  H     18.18953824     10.22930472    -10.46556366
  H     15.62916120      7.55841714    -13.73016110
  O     14.56420324      5.26419903    -11.44982598
  H     16.37865010      5.78958027    -14.70372471
  H     16.06878550      8.02508364    -15.13798150
  O     18.31015212      5.62270212    -10.41602194
  H     17.90322738      5.71357970    -14.68397888
  H     17.24675103      8.71663590     -8.85507573
  O     15.42418118      7.47321594    -14.67437421
  H     17.09155319      2.96367015    -12.31012182
  H     16.27711230      9.73858910     -9.47701161
  O     17.19402736      9.61936525     -9.19110044
  H     16.98768671      4.31398559    -13.05964819
  H     17.29935759      9.79564857    -14.91124632
  O     17.31716207      9.22869070    -15.69639262
  H     11.65571531      8.12986023     -9.29204956
  H     16.83948483      9.70491609    -16.38652982
          69
 Energy    -249.40398126069346     
  O     -4.16046986      4.08123021      3.05888751
  H     -4.97185330      4.28894352      3.51753610
  H      1.74645125      3.59861548      3.74007322
  O     -2.74879331     -2.54329599      0.98519465
  H     -3.47550545      3.98943099      3.74000273
  H     -4.13623399      4.60799071     -1.10648164
  O     -1.32072365      4.25254903     -2.46427018
  H     -3.32637791     -3.29606602      1.07615006
  H     -4.87045471      4.60763568     -2.46908083
  O     -3.39837269      1.65105162     -1.08075155
  H     -3.04006182     -2.05888303      0.19117778
  H     -0.40439341     -1.63515581     -1.61777998
  O      1.62346041      0.45959771      4.29236686
  H     -2.28561567      4.24019466     -2.46924279
  H     -0.34951970     -1.74330909     -3.16061413
  O      1.26770404      5.81807151      1.30656422
  H     -1.04213140      3.32923128     -2.41056105
  H     -1.84189775      2.77996412      4.94370017
  O     -0.95516730      3.17225666      1.45000080
  H     -2.45945650      1.63886656     -1.32017338
  H     -2.33864121      3.80285794      5.98852801
  O     -1.11536989      1.21843674      4.74664774
  H     -3.77645235      2.45293721     -1.46284928
  H     -3.51582900      1.76825533      0.69669099
  O     -3.32881336     -1.15766603     -1.27141262
  H      2.08346693     -0.24000181      4.74964520
  H     -3.82844696      2.51865736      2.05168009
  O     -1.98185281     -0.37600860      2.59589607
  H      1.38275042      0.10987370      3.41766661
  H     -0.66495820      0.61614143     -2.17637311
  O      0.70368894     -0.33868586      1.83192540
  H      1.94895530      5.16449804      1.10904067
  H     -0.01836995      1.63950276     -1.20806078
  O      2.53442574      3.05767377      3.59009443
  H      0.95208952      5.60290856      2.19352118
  H     -0.57517492      4.45522068      4.25241767
  O     -4.19164544      4.16130349     -1.97075324
  H     -1.78487011      2.68978584      1.52569800
  H     -0.19879485      3.98267314      2.85291004
  O     -0.71293963     -1.22678379     -2.44644755
  H     -1.10188708      3.95859480      0.90301118
  H     -3.93200735      5.00492713      1.35143869
  O     -2.23077711      3.66785685      5.05031361
  H     -0.16706322      1.04587779      4.73223717
  H     -2.88819956      5.54848464      0.34669497
  O     -3.37419925      1.76685278      1.65514891
  H     -1.49832595      0.59343503      4.11695750
  H      1.87397789      2.42300296      0.34776031
  O     -0.71788194      1.52889729     -1.86705774
  H     -3.52956133     -0.21383641     -1.22603159
  H      0.36637969      2.34357825      0.68749076
  O      0.13395394      4.49850479      3.60548277
  H     -2.52807228     -1.22771981     -1.80632695
  H      0.35345505     -1.73030746      0.59457854
  O     -3.82682428      5.32668760      0.45109805
  H     -2.53201286      0.35072725      2.26536537
  H     -0.92652810     -2.55052176      0.35174349
  O      1.08479196      1.88281429      0.22291793
  H     -2.29331872     -1.17939178      2.16206906
  H      4.07642796      3.74714454      0.88287257
  O     -0.07467226     -2.31968687     -0.03950605
  H      0.89305246      0.39897708      1.23407274
  H      3.01471063      3.40118482      1.95598115
  O      3.14112468      3.61742583      1.01365493
  H     -0.23750069     -0.30319028      2.06166819
  H     -0.25152180      5.74798081      0.31530182
  O     -1.12355120      5.49769982     -0.01999143
  H      2.30456407      2.16742175      3.88081406
  H     -1.04015000      5.16498452     -0.92603635
          69
 Energy    -249.40387363047063     
  O     -1.51815347      1.08603966      3.84713661
  H     -1.84138617      0.55418206      4.57017524
  H     -2.34788920      5.75812271      0.12314344
  O     -3.80969438      1.72115993     -2.56409623
  H     -2.00138742      1.93173910      3.88281439
  H     -0.82724712      4.59879459     -1.23971960
  O     -2.47222108      3.87843396     -3.90644361
  H     -3.79748905      1.99249488     -1.63699954
  H     -2.03046223      4.50510502     -2.22018675
  O     -4.60199904      4.46422318      1.86639622
  H     -3.51396702      2.49094643     -3.06612356
  H      1.71884103      3.77919643      3.91260472
  O     -0.29044620     -0.05565668     -1.16327429
  H     -2.67800109      4.35917181     -4.70342700
  H      2.43986852      5.05477747      4.40391892
  O      1.36266398      1.84405332     -2.42760232
  H     -1.77464614      3.23778962     -4.13528153
  H      1.00194296      2.18853458      1.47047129
  O      1.22536496      2.10591252      4.22956190
  H     -5.44094489      4.91001051      1.94033109
  H     -0.48752019      1.99638143      1.08483182
  O     -2.10918402     -0.26053846     -3.29498160
  H     -3.95219820      5.13025676      1.57335442
  H     -2.76492834      3.38383394     -0.39762059
  O      2.45958123      1.13681428      1.93764539
  H     -0.83297290      0.12555048     -0.38310741
  H     -3.90194151      3.23620534      0.64523681
  O      2.18453900     -0.75799385     -0.02545322
  H     -0.89761696     -0.24522136     -1.88927189
  H     -1.98889798      4.06979680      3.50789131
  O      3.02932885      4.64840940      0.94308814
  H      2.26946881      1.56082328     -2.26360330
  H     -3.47287761      3.76499634      3.24658668
  O     -2.59868725      6.06591054      1.00448185
  H      0.79096581      1.23832959     -1.93227396
  H     -2.43578013      1.37263223      0.75346223
  O     -1.78986000      4.66535058     -1.29929561
  H      0.32133961      1.78347781      4.14381552
  H     -1.76211600      0.72449884      2.01642621
  O      1.98669379      4.67907009      3.65368984
  H      1.73693381      1.62522150      3.56237754
  H     -0.39893158      4.09979032      2.07876618
  O      0.21127974      2.65521009      1.17058617
  H     -2.57931738     -0.98570314     -3.69710990
  H      0.22104841      5.08532474      3.06678331
  O     -3.35418822      2.74103060      0.02443646
  H     -2.77892715      0.38977805     -3.01559358
  H      0.65579841      3.65560558     -0.17218213
  O     -2.71910799      3.49888719      3.78527301
  H      2.32205360      0.37041511      1.36075410
  H      1.16408776      3.50492266     -1.60678442
  O     -1.77558330      0.72752210      1.05054806
  H      3.24695774      1.58436698      1.60988005
  H      0.15858700      1.97257549     -3.83303193
  O     -0.59778077      4.89460640      2.59689921
  H      1.31357281     -0.67044496     -0.43690404
  H     -1.08059485      1.12193019     -4.16683061
  O      0.93728389      4.17243878     -0.94591359
  H      2.80768181     -0.34931336     -0.63745448
  H      5.45211598      2.67822125      1.01325403
  O     -0.63285920      1.94804454     -4.38784478
  H      2.62477220      4.73239734      1.81497234
  H      4.08288735      3.32462903      0.69148762
  O      4.60575909      2.50577268      0.60939842
  H      2.32429967      4.68702817      0.28404525
  H      4.70534051      0.74957353     -2.10791677
  O      3.92019858      0.95926363     -1.60763431
  H     -1.85995284      5.82745302      1.58175831
  H      4.20181092      1.51748746     -0.86549727
          69
 Energy    -249.40365349589723     
  O     13.11541209      6.37851413    -10.78751659
  H     13.62304525      6.68006406    -10.02373223
  H     17.52715277      6.13590812    -15.69412296
  O     17.79983368     10.37405228    -12.95007955
  H     12.62333431      7.14112756    -11.11207099
  H     16.47783483      9.20981742    -12.54998879
  O     17.38138794      9.19458598    -15.43030528
  H     17.82352458     10.07156581    -13.86786639
  H     16.14419723      7.73077102    -12.16282404
  O     15.98613258     12.41166468    -12.83691422
  H     17.24382049     11.16849634    -12.91372227
  H     14.92336141      9.32587627    -10.94207038
  O     14.75151580      7.38309086     -8.65132195
  H     17.63318385      9.12503794    -16.36243467
  H     14.44736779      8.99810944     -9.51188957
  O     14.79127097     10.03104630    -16.06363544
  H     17.29836145      8.28300454    -15.11752395
  H     14.11324570      3.71813636    -12.12208797
  O     13.89066135     12.34318931    -14.81211843
  H     15.35882797     12.45517788    -13.56766639
  H     13.86222368      5.21500606    -11.81938493
  O     15.07177818      5.85628297    -17.66062300
  H     15.45405439     12.47309283    -12.03425619
  H     12.57982327      8.70270684    -12.68813199
  O     16.82043700      5.98798757    -12.14477844
  H     14.74170303      7.11918467     -7.73579810
  H     12.86203801      9.20739579    -11.24325561
  O     13.69662746      8.38036296    -14.10246121
  H     15.67226253      7.29387342     -8.96114580
  H     17.77634461      7.95697636     -9.87041773
  O     14.39680009      5.84589116    -14.92074141
  H     14.52181438     10.88271690    -15.69638680
  H     17.24392114      6.62497929    -10.43840462
  O     17.14350450      6.44610031    -14.86458391
  H     15.69736048      9.84386810    -15.77636611
  H     18.14307620      4.97515097    -17.97828972
  O     15.76096087      8.60063748    -12.32995371
  H     13.27942281     12.08359314    -14.09940954
  H     16.80865636      5.68400257    -17.63626906
  O     14.37495094      9.65605921    -10.21315838
  H     13.54947524     13.15254367    -15.18416576
  H     18.50250231      9.77049494    -11.37352171
  O     14.36012898      4.59975976    -12.38810077
  H     14.70061271      5.76028779    -16.77324134
  H     19.63740927      9.67426794    -10.34744146
  O     12.15886741      8.91234212    -11.83985813
  H     14.87259171      6.75716700    -17.94636102
  H     14.70845397      9.14641158    -17.60404041
  O     17.24410239      7.18022220     -9.64785997
  H     16.03761854      5.42316898    -12.18230964
  H     14.25655777      9.00933486    -19.07531572
  O     17.77544683      5.72168921    -17.51375362
  H     17.14094758      6.07858959    -13.05287741
  H     14.17547320     12.83559444     -9.79110922
  O     18.74588295      9.38045023    -10.52006744
  H     14.43338501      8.45418140    -13.47373557
  H     14.28592518     11.40103192    -10.36093473
  O     14.79316810      8.59831354    -18.40208913
  H     13.91850468      8.95927240    -14.84166554
  H     17.86183608      7.59506402    -17.99095131
  O     14.19227258     12.33856831    -10.60460865
  H     14.31327091      5.29200856    -14.13521808
  H     16.75658208      8.59384096    -18.36189953
  O     17.68083016      8.53871980    -18.08970203
  H     14.02795920      6.70936081    -14.68321548
  H     12.86876250     12.00462699    -11.92996196
  O     12.35266827     11.67979417    -12.67944402
  H     16.19644227      6.24818692    -14.91301943
  H     12.07399552     10.78794741    -12.44269943
          69
 Energy    -249.40346552393191     
  O     12.50024212      6.16369548    -14.89460302
  H     13.06475350      6.78893981    -15.36616366
  H     15.65883117      5.19623894    -14.91680863
  O     16.99225630      6.12931529    -12.46121073
  H     13.04157011      5.37738876    -14.75125148
  H     19.41712075      9.61412878    -12.59571978
  O     15.18483897      9.72600751     -9.75784832
  H     16.84859948      6.07341279    -13.41573100
  H     18.70069074     10.90196535    -12.03712235
  O     20.17843676      8.54681736    -13.87373971
  H     17.94340335      6.11603128    -12.28599785
  H     15.41963954     11.91437556    -14.24165889
  O     14.33855038      4.07431993    -14.08813002
  H     15.61059841      9.36892014    -10.55188648
  H     16.92377043     12.02447069    -13.94414405
  O     13.01387344      8.01107712     -9.61977011
  H     14.34059609      9.25906656     -9.67005397
  H     16.60999485      7.85190224    -12.15322817
  O     14.64558441      5.11870708    -11.53373531
  H     20.99733003      8.60448355    -14.35852337
  H     17.26955495      9.25456974    -12.06567149
  O     13.99080108      9.22426826    -13.21686441
  H     19.48944469      8.30148749    -14.51778623
  H     17.58318872      7.73750108     -8.99101552
  O     19.64783800      6.47995044    -11.92421999
  H     14.39175956      4.32976819    -13.15221686
  H     16.21363810      8.42904576     -8.86270808
  O     14.69303417      5.77936014     -8.81721163
  H     14.22827009      3.12676491    -14.10569915
  H     17.07876143     12.42353828    -11.79800071
  O     16.48262065      9.90251324    -16.57669922
  H     12.68552542      7.73489738    -10.48472117
  H     18.21116655     13.38798738    -12.22726548
  O     16.21395172      5.95874441    -15.11935224
  H     13.45756939      7.23619339     -9.25383966
  H     19.93564631      8.60038661     -9.09186038
  O     18.94852345      9.99004943    -11.83735079
  H     15.51939431      5.45134431    -11.79475116
  H     19.17514439      8.95403861    -10.38869812
  O     16.29324969     11.77499710    -14.62863722
  H     14.60581962      5.20073754    -10.57292724
  H     14.87796302     12.19478571    -11.67518116
  O     16.42166398      8.79705653    -12.07698414
  H     13.45654059      8.51932273    -12.82735373
  H     15.40412040     11.43795712    -10.43465056
  O     16.68900090      7.61241147     -8.65629650
  H     14.88893334      9.12978002    -12.86315846
  H     14.28040138      8.51404871    -14.85397903
  O     17.88601511     12.49903953    -12.34111635
  H     19.94033005      7.11253271    -12.59182409
  H     15.09566626      8.69344629    -16.14769296
  O     19.29304768      8.26531698     -9.71321557
  H     19.62116112      6.96653076    -11.09032400
  H     12.39975740      6.73141741    -13.14610432
  O     15.57046828     12.20249154    -11.00303561
  H     15.45943307      6.37643574     -8.74276757
  H     13.33644627      6.36813946    -11.97482161
  O     14.50420261      8.08276640    -15.69202937
  H     14.61931662      5.32537819     -7.98199546
  H     12.92663480     12.24300649    -13.40477604
  O     12.66407006      7.00420580    -12.25590423
  H     16.56802445     10.36532632    -17.40617829
  H     13.76395913     10.95373915    -13.22778575
  O     13.81069628     11.92621404    -13.24051134
  H     16.43471744     10.58218246    -15.88098598
  H     17.67193178      7.11450656    -15.54359108
  O     18.24276487      7.88806274    -15.62175297
  H     15.60582541      6.68417881    -15.32824867
  H     17.68995020      8.59464352    -15.97883789
          69
 Ord_Energy   -249.402908    
 O   -11.9981871      0.409271032       1.78632808    
 H   -11.6028967       1.22171164       2.15361333    
 H   -12.9375687      0.464914173       1.93982720    
 O   -5.30830479      -2.49808216      0.249211013    
 H   -5.68240404      -2.67498136       1.12777209    
 H   -4.68493128      -1.76866269      0.355489939    
 O   -3.91716743      -9.73620787E-02  0.806107283    
 H   -4.43082666      0.126561627       1.60182118    
 H   -3.00223470       8.19694325E-02   1.01097810    
 O   -6.17454004      -1.39147997       4.92353439    
 H   -7.01734734     -0.939940870       5.11646557    
 H   -5.80928326      -1.66408193       5.76047087    
 O   -9.74527073       2.19541597      -1.77233756    
 H   -10.3676939       2.56786942      -2.39128757    
 H   -10.1265993       1.35197067      -1.46890426    
 O   -8.77842903       2.69250417       4.89563417    
 H   -7.94410515       2.87450433       4.42822170    
 H   -8.83637714       3.32887721       5.60408831    
 O   -6.59058142      -2.99468303       2.62788057    
 H   -7.52984285      -2.93229699       2.40842867    
 H   -6.45543385      -2.51368093       3.45246673    
 O   -7.63802958      -5.47756195       1.54179049    
 H   -7.03789139      -4.93234587       2.06473684    
 H   -7.41753101      -5.27746868      0.622473121    
 O   -8.50331593     -0.110733390       5.28002644    
 H   -8.59500599      0.848407030       5.23600912    
 H   -9.11314011     -0.464931816       4.61670589    
 O   -8.88799191       3.00257587      0.764186621    
 H   -8.06317616       3.50399399      0.759810567    
 H   -9.14689732       2.82502222     -0.149461403    
 O   -10.7110529       2.55948043       2.78466487    
 H   -10.1511850       2.58599424       3.56932330    
 H   -10.1488676       2.86398602       2.05742860    
 O   -9.24830246      -2.54687500     -0.885339677    
 H   -8.60913277      -1.81509638     -0.862860799    
 H   -8.71623611      -3.31208014      -1.12722063    
 O   -9.96544838     -0.968888283       3.10166192    
 H   -9.84246159      -1.85128343       2.72327137    
 H   -10.7622995     -0.588943720       2.71188688    
 O   -9.31982899      -3.27696276       1.80942929    
 H   -9.38759136      -2.99624801      0.886066616    
 H   -8.97456074      -4.17943525       1.79292905    
 O   -5.54180765      0.483949065       2.93150043    
 H   -6.41062117      0.506311417       2.49785542    
 H   -5.62169218     -0.132400155       3.66952229    
 O   -6.36383724       4.20375729      0.960032284    
 H   -5.86080170       3.52936292      0.466750205    
 H   -6.03011084       5.05259514      0.683430314    
 O   -7.26430655     -0.707534134     -0.620913804    
 H   -7.53126192     -0.246090829      0.187921554    
 H   -6.54268169      -1.30146396     -0.382643402    
 O   -7.00284386       1.49196351      -2.27265024    
 H   -7.90426111       1.83162975      -2.25696921    
 H   -7.05956316      0.637695849      -1.81873357    
 O   -5.10807800       2.29202437     -0.437328190    
 H   -4.69585037       1.47550619     -0.142568335    
 H   -5.71269131       2.05746126      -1.15873921    
 O   -6.94880819      -4.38223267      -1.04327381    
 H   -6.52546501      -4.80623770      -1.78663933    
 H   -6.29916143      -3.75872898     -0.680623531    
 O   -6.42886162       3.10105634       3.58230734    
 H   -5.97672462       2.25890279       3.44617081    
 H   -6.37955475       3.56530786       2.73776889    
 O   -8.00612450      0.516885877       1.71728230    
 H   -8.69561863       5.94730601E-02   2.21396542    
 H   -8.34309959       1.38265181       1.45203602    
 O   -10.8156414     -0.100157931     -0.781824768    
 H   -10.4887161      -1.00372827     -0.848893106    
 H   -11.2409935      -7.80961988E-03   7.96804503E-02
          69
 Energy    -249.40287704601451     
  O     11.38802772      5.52649942    -12.94841281
  H     10.50091370      5.21737273    -13.10779453
  H     18.66999811      8.88506005    -11.57919305
  O     17.24385766      5.38067228    -12.92713756
  H     11.31929165      6.27845313    -12.33085328
  H     16.05855885      6.79709341    -12.70691157
  O     14.56010605     10.91313025    -11.89008575
  H     16.73259011      4.86876709    -13.56417599
  H     14.65036988      7.32108261    -13.12441323
  O     13.83468444      8.76664416    -17.58700459
  H     17.91546677      5.88945021    -13.40822645
  H     12.96149296      4.54748582    -12.58289609
  O     14.63017175      5.25300765     -9.94199533
  H     15.32927694     10.84647682    -12.46428849
  H     14.31766443      4.14514569    -13.20952280
  O     14.95591402      6.49001551    -16.17730834
  H     14.75199894     10.32072820    -11.14828450
  H     18.05406191      4.61352182     -9.91804449
  O     12.48011356      9.68183527    -13.21747202
  H     14.64899392      9.19490468    -17.88085812
  H     17.45009725      5.25873587    -11.18671052
  O     15.45140939     11.41345269    -15.72982476
  H     14.09877660      7.89317311    -17.27691348
  H     15.57270114      3.41765735    -15.34573275
  O     18.95319546      7.06372060    -14.21193412
  H     14.37316732      4.83073249    -10.77522650
  H     15.29993611      4.93790460    -15.35632716
  O     16.61685193      9.84084830    -13.66932270
  H     15.59245794      5.27328996     -9.92948561
  H     14.48191275      8.39324485     -9.69167352
  O     17.12567902      8.27490832    -15.99570588
  H     14.30688853      6.78504795    -15.51693899
  H     15.26160680      8.30014821    -11.02078670
  O     19.03122547      9.29246149    -12.38777371
  H     15.73425156      7.05965756    -16.09954663
  H     17.02614862      8.48230355    -10.03352424
  O     15.46611193      7.55711495    -12.66598729
  H     12.43600918     10.08130857    -14.09539358
  H     17.86311688      7.19397824    -10.11463120
  O     13.83868352      4.20068891    -12.37620848
  H     13.15904902     10.16614824    -12.72390301
  H     13.61681751      6.52040054     -9.40469576
  O     17.50045168      5.33048226    -10.21752224
  H     14.50153459     11.25169617    -15.67097374
  H     12.76277796      7.13257743     -8.26610738
  O     15.48738580      4.17997971    -14.77836495
  H     15.84994528     10.98242660    -14.96315691
  H     16.71374817     10.70493431    -18.60752718
  O     15.19786965      8.80185554    -10.19221774
  H     19.10534143      7.80905912    -13.61745159
  H     16.05085555     10.69526662    -17.20633221
  O     17.91928655      8.15302275    -10.20350983
  H     18.46574297      7.41750615    -14.96752358
  H     11.95804975      7.67050313    -10.61325528
  O     13.08603111      7.29819010     -9.14732413
  H     16.13760612      9.07124512    -13.32186023
  H     11.68184874      8.50193586    -11.90233884
  O     16.32561725     10.13138476    -17.95295573
  H     17.49104404      9.82091388    -13.25758550
  H     13.02578858      9.88985781    -16.47617031
  O     11.39800180      7.72967228    -11.39770889
  H     16.94679692      8.83445257    -15.22790184
  H     12.05431866     11.08580015    -16.36481112
  O     12.70231943     10.58413068    -15.87577965
  H     17.00118895      8.83726933    -16.77041002
  H     12.92018060      8.09053305    -13.91896327
  O     13.19616671      7.21713367    -14.23167790
  H     19.79482423      9.79785002    -12.12255877
  H     12.54995939      6.57997326    -13.90319207
          69
 Energy    -249.40272050131915     
  O      0.61758000     -0.19367442      2.92981881
  H      0.45267595      0.73480733      3.13411999
  H     -1.82508558      0.84402849      6.80324233
  O     -2.76033452      0.15683258     -3.40525622
  H      1.13421982     -0.26463835      2.11396103
  H     -0.82232495      2.77521523      0.77067576
  O     -0.34280555     -1.83302386      4.92978895
  H     -1.94607291      0.39133522     -2.92909690
  H      0.02917847      2.87475844      2.03544458
  O     -4.33305105     -0.02101382     -1.05598658
  H     -2.72158993      0.59676080     -4.25070579
  H     -1.70731687      1.33287627     -0.53649611
  O     -2.21861246     -2.60733551     -2.68948484
  H      0.15846935     -1.38209420      4.23449698
  H     -3.19947738      1.14754704     -0.24265235
  O     -0.18282103     -1.99204323     -0.90963416
  H     -0.71860991     -1.11810888      5.45411523
  H     -2.13522076      0.31729261      1.41237077
  O     -3.02441695      2.86119691      2.55669594
  H     -4.16023649     -0.94390233     -0.81456339
  H     -1.08778024     -0.30847409      2.37968960
  O     -4.29564728     -2.84680101      3.80065799
  H     -3.98309855      0.09280773     -1.94777274
  H     -4.66738300     -2.83069992      0.20752735
  O     -0.57913375      0.61658106     -1.76472273
  H     -2.89627209     -2.78317841     -2.02313992
  H     -3.12830731     -2.88154571      0.16085379
  O     -5.50481243      1.65637929      3.30195517
  H     -2.46990487     -1.77302054     -3.10169935
  H      1.93609673      0.27885316     -0.00279403
  O     -3.62302949     -0.15539357      4.30067726
  H     -0.56532744     -2.37986089     -0.11077250
  H      1.30943169     -1.13368223     -0.03153465
  O     -1.54286384      0.60534813      5.92372485
  H     -0.74034245     -2.30891428     -1.63558626
  H     -1.44554108      2.49865616      3.39003491
  O      0.07112055      2.96326056      1.07496093
  H     -3.88874779      2.55736637      2.85904089
  H     -0.75979901      1.79736032      4.57364049
  O     -2.40643630      1.60228063      0.07622794
  H     -2.95574394      2.56506239      1.64121561
  H      1.19912404      2.39781473     -0.13735320
  O     -2.00363991     -0.37361809      2.07001744
  H     -4.12740302     -1.94648560      4.10823424
  H      2.37283641      2.59038560     -1.12974453
  O     -3.91169164     -2.69655912     -0.37758515
  H     -3.45105975     -3.30907569      3.85833046
  H     -1.34065361     -4.75741083      4.28600018
  O      1.84346916     -0.53508956      0.50590418
  H      0.23779669      1.11116750     -1.62665287
  H     -1.17887227     -3.22012187      4.29850515
  O     -0.57565852      2.25112445      3.74313056
  H     -0.42930120     -0.28359867     -1.43671849
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  H     -6.05823019     -0.90971031      1.38086849
          69
 Energy    -249.40236677782454     
  O      3.30336563     -0.33781062     -2.75081358
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  H      4.65824515      0.70813635     -0.09627825
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  H      1.53690999     -3.11642582      2.49869947
  H      0.33717767      1.02028177     -6.42450602
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  H      2.23427527     -0.59045903      0.94804021
  O      5.14237749     -0.02005342      0.31403491
  H      0.54678658      2.09107339      0.95275559
  H      2.08415770     -1.75188934     -0.05229602
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  H      0.02899480     -3.58521463     -1.67627670
          69
 Energy    -249.40224258308649     
  O     15.47678623     10.56748502    -15.47285555
  H     14.64221913     10.16148784    -15.22028850
  H     19.97603540      5.29028767    -15.48395434
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  H     13.41172515      4.47408685    -14.91346729
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  H     16.40950375      7.23138213    -14.70148069
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  H     12.24487127      9.64552080    -14.51278009
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  H     21.29833809      6.50787546    -13.75232910
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  H     16.87110670      9.19465781    -17.84999118
          69
 Energy    -249.40193999223465     
  O     11.94603584      6.46490144    -11.94814303
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  H     14.61765907      5.94268083    -15.09399946
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  H     18.21988887      5.99474731    -14.09821447
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  H     15.55616954      8.68756972    -12.75090989
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  H     14.25770884      8.30214477    -11.97217826
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  H     14.46397692      4.76669886    -13.30651435
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  H     14.86381410      4.94213754    -11.83347398
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  H     15.79867520      5.18389571    -15.75704310
  H     12.50867646     10.75719109    -11.58896778
          69
 Energy    -249.40176668255657     
  O      3.26312401      5.72817014      4.00092762
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  H     -1.11019473      7.01060293     -0.30135820
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  H      3.41647027      6.07629588      3.11437498
  H     -0.59308112      4.84122100      0.38003560
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  H      0.75078028     10.66344720      5.26553184
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  H      0.93412139      6.24840442     -3.46806027
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  H      0.68535699     10.38129968      2.72843395
  H     -0.15223979      5.23762762     -3.07019061
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  H     -0.06652305     10.34153772      1.33458649
  H     -2.08818908      9.40303664      0.90220315
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  H     -0.77599156      8.82989644      4.44338308
  H     -1.19619293      9.42939621     -0.36621132
  O      3.30057032      6.63971751      1.18720537
  H     -0.91685943      7.30306734      4.44246442
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  H      3.54398635      8.87359426      3.73570682
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  H      3.09892399     11.56871018     -0.04689688
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  H      2.41424345      6.94673199      1.44752945
  H      2.19603843     10.61299043      0.77072230
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  H      3.20904692      5.71763441      0.91034239
  H      0.06905698      7.17661632      1.28981350
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  H      0.49098118      6.58264144      3.30523100
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  H      1.94179538      3.05310174      3.21918897
  O      2.98017617     10.65391215      0.19422916
  H      0.99772782      3.48307157     -2.42561552
  H      3.15093369      2.15953882      3.59340379
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  H      2.77040824      9.10017717     -0.78211691
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  H     -0.00697220      3.48716170      2.12963790
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  H     -2.42566667      8.13458109      2.88174017
  O     -2.93418354      8.12076595      2.05134136
  H     -2.02987573      6.93114198      0.96456156
  H     -3.85625269      8.13044332      2.29389665
          69
 Energy    -249.40150702901974     
  O     15.56463683      5.93087860     -8.48019611
  H     14.63003311      5.69012481     -8.61415400
  H     12.14180531      6.18034068    -14.85808087
  O     13.35654542      5.39904485    -15.92053479
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  H     16.05050737      9.15502822    -12.92795500
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  H     13.82388658      5.96527456    -16.54604948
  H     14.82205377      8.25132297    -13.23488169
  O     10.54002466      5.65358936    -11.78199872
  H     14.03342373      4.82012563    -15.54933568
  H     13.33875172      7.72014414    -11.73292108
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  H     16.33868297      7.59080045    -14.66921242
  H     12.93964194      6.99896137    -13.05961134
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  H     16.23247700      6.99202646    -16.09686998
  H     12.26237388      5.96656788     -8.99478849
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  H     10.79248622      5.94895786    -12.66638942
  H     12.72381004      4.60286872     -9.52892673
  O     12.92589248     10.42725904    -12.84475210
  H     11.03934964      4.84620612    -11.60602273
  H     19.81502405      6.08207499    -14.86874097
  O     17.88317900      3.58882922    -13.15406500
  H     15.96949943      4.69783786    -11.27400488
  H     18.29714546      6.31826120    -14.69365144
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  H     16.49677919      5.14340426     -9.90404206
  H     14.80950448      4.39474003    -13.11871591
  O     11.46336709      9.39895111    -14.89231692
  H     13.07416800      3.79880759    -11.49925056
  H     14.19469462      5.51880483    -12.23809556
  O     11.61079371      6.65589084    -14.20031336
  H     12.23380906      2.55940094    -11.10854120
  H     14.61959192      8.00463978    -17.05784325
  O     15.43444507      8.89631114    -13.62564619
  H     17.58968462      8.51233221    -11.52798562
  H     15.04256741      7.35151654    -18.39933732
  O     13.67477674      7.17259200    -12.45386417
  H     17.75092355     10.02408311    -11.21986575
  H     16.43327196      3.86212409    -14.24390111
  O     12.96097353      5.30667778     -8.91303536
  H     13.84269300     10.22849000    -13.05324334
  H     15.99639241      5.19790373    -14.87182955
  O     19.09159958      5.96672518    -14.25803714
  H     12.76680186     10.02710696    -11.97614978
  H     17.79214890      6.23747988    -11.37194072
  O     14.43947189      4.58043212    -12.24591108
  H     17.66105003      3.85435645    -12.25301168
  H     18.69326360      6.67117759    -12.55085664
  O     14.99829135      7.20064445    -17.45947815
  H     18.44238952      4.29417312    -13.50344741
  H     10.01307274      7.21863663     -9.08264263
  O     15.68867585      4.30155120    -14.68118986
  H     14.57794452      9.29194146    -15.26322689
  H     10.66900022      6.63590420    -10.35831123
  O     18.29108332      6.98334252    -11.73270843
  H     13.13228775      9.35928248    -15.79690532
  H     15.40889488      7.72452531     -9.11603292
  O     10.84682441      7.12820974     -9.53575673
  H     11.90336797      9.81428985    -14.12873262
  H     15.87220207      8.85808424    -10.06781091
  O     15.18982463      8.60856961     -9.43389312
  H     10.72714138      9.95914183    -15.12359587
  H     12.04925013      8.41644840    -10.08288488
  O     12.72586046      8.94624745    -10.52070960
  H     11.45651565      7.55125116    -14.52617789
  H     13.55110552      8.88302510    -10.01328680
          69
 Energy    -249.40142774380899     
  O     -1.90644300      0.32129590      1.05695328
  H     -1.86602028      1.04740475      1.69018034
  H      0.04759298      0.96991274      3.30712034
  O     -5.32087679     -1.06856405      1.39114438
  H     -1.66282130     -0.47028727      1.55149789
  H     -3.93203183      1.04926217      5.53491518
  O     -2.38134956     -5.54086410      1.53114334
  H     -4.89655208     -0.77462083      0.57136809
  H     -3.67910048      0.06556280      4.36936620
  O     -4.03162776     -4.53335390     -0.62881464
  H     -5.71798675     -1.92872961      1.21043867
  H     -2.16555455      1.78260488      3.77581439
  O     -4.01243889      2.44215193     -1.59688945
  H     -3.02749172     -5.11907708      2.12573880
  H     -1.64092433      2.77659207      2.67725251
  O     -4.28666864     -4.29033308      3.01189566
  H     -2.29231293     -6.44520908      1.81926125
  H      1.99779740     -0.82044552      0.47597263
  O     -2.35526624     -2.41825512     -1.38353325
  H     -3.48463450     -3.84586940     -1.03376629
  H      1.64962811      0.16529322      1.61863787
  O     -1.30818854      3.44703248     -1.33645761
  H     -3.45438972     -5.00963067     -0.02103564
  H     -0.72031322      0.80069990     -0.23378942
  O      1.71321264     -2.58343135     -0.20201205
  H     -3.11638092      2.79791432     -1.63144513
  H      0.80746480      0.89125354     -0.37766265
  O      0.03062144     -1.36817465     -2.25239393
  H     -4.42842261      2.86944834     -0.83689373
  H     -5.22170325      2.86542028      1.40285067
  O     -0.75806871     -3.47094117      0.63502669
  H     -4.11029273     -3.42914757      3.40880180
  H     -5.69801345      4.24849984      0.90328334
  O      0.74862783      0.29555420      3.32584539
  H     -5.01857238     -4.15203864      2.39672237
  H     -0.34532745     -1.19869891      2.99337930
  O     -3.65734488      1.00442875      4.62223853
  H     -1.57065571     -2.09474945     -1.85024275
  H     -0.85299222     -2.38211116      2.07762842
  O     -1.39743796      2.02683048      3.24437358
  H     -2.94391809     -1.66016931     -1.26612537
  H     -6.93530697     -4.10371908      0.59534586
  O      2.00905000      0.11284884      0.72507805
  H     -0.77241736      2.64108264     -1.24265730
  H     -5.42432421     -4.00268887      0.27291769
  O     -0.02118044      1.09789895     -0.83391928
  H     -0.83876415      4.01815100     -1.93906785
  H     -3.18341950      0.02560173     -0.09334507
  O     -4.99305706      3.61182557      0.82110276
  H      2.32860419     -3.29891146     -0.34352198
  H     -4.02592330      0.67150177     -1.20806146
  O     -1.10645662     -1.74471619      2.75899065
  H      0.88871918     -2.98417912      0.11875146
  H     -1.83028059      3.75905948      0.47715381
  O     -6.11813230     -3.71389663      0.89335543
  H      0.72236328     -1.78780388     -1.72882475
  H     -3.17092463      3.80798121      1.22725452
  O     -3.86264778     -0.16904754     -0.75931541
  H      0.00041297     -0.45361208     -1.94139605
  H     -4.93282008      1.44467313      3.24429670
  O     -2.21472582      3.78677265      1.36155247
  H     -1.32505632     -3.08052641     -0.04767668
  H     -5.58112558      0.64048397      2.09843400
  O     -5.49956661      1.52898693      2.46959823
  H     -1.21117337     -4.25973695      0.95981799
  H     -4.22297753     -1.38033532      2.81810422
  O     -3.70521861     -1.54995850      3.62032717
  H      1.30057581      0.49847368      4.07733509
  H     -2.77898517     -1.66916045      3.35978177
          69
 Energy    -249.40140569276599     
  O     13.55732126      4.13153456    -10.50284590
  H     13.40610696      4.83470930     -9.85458864
  H     18.98338408      6.12982752    -14.72034299
  O     12.36212041      4.71937473    -12.99486534
  H     13.11581335      4.38977692    -11.32217883
  H     13.87725764      9.78009150    -10.88399867
  O     16.29745567      3.76401767    -11.00889833
  H     12.35710453      3.77967472    -13.22676973
  H     14.78025110     10.42816835    -11.94486672
  O     19.26066022      6.44137315    -11.26243192
  H     13.15958236      5.09666318    -13.39657721
  H     16.00588819      7.73972355    -11.97340211
  O     13.27347295      8.19259590    -14.55615253
  H     15.37893503      3.97269326    -10.78795458
  H     15.58748276      6.97657673    -10.68191119
  O     12.77523089      2.04432181    -13.42593751
  H     16.87147457      4.18625163    -10.35956739
  H     12.17677121      7.93636400    -11.54849308
  O     13.12125839      1.42129348    -10.63595616
  H     19.02278318      6.36081666    -12.19084113
  H     13.68807088      7.83713035    -11.22119446
  O     18.72519801      9.10208692    -10.78897240
  H     19.18713514      7.38335720    -11.04178933
  H     15.66780037      1.25631455    -13.29215567
  O     16.49537061      9.73122354     -9.10372675
  H     12.45399685      7.98001032    -14.09550000
  H     15.75291781      0.75783576    -14.75494379
  O     14.67558634      5.86923758    -13.90582712
  H     13.79677336      7.37914370    -14.53271922
  H     10.18524891      7.12965903    -13.02518069
  O     17.17254052      8.68279361    -13.05045337
  H     13.64581678      1.87835928    -13.80610632
  H     11.45024538      6.24658329    -12.93324584
  O     18.32645612      6.26738901    -14.04128818
  H     12.80740926      1.68775234    -12.52918098
  H     18.54514590      5.57371915     -9.99082772
  O     14.62782976     10.38025012    -10.99471250
  H     13.24697991      2.37249894    -10.47515549
  H     18.70731990      4.73565676     -8.69637217
  O     15.34505971      7.14064846    -11.60113788
  H     12.53489648      1.10353772     -9.95447750
  H     16.40749285      3.17559737    -14.06106434
  O     12.84741643      8.21015350    -10.91229786
  H     18.24656069      9.10833211    -11.63124294
  H     16.64212222      3.98067818    -12.76167790
  O     15.53175723      1.51694562    -14.22157892
  H     18.07797385      9.38320742    -10.13259312
  H     16.11437673      1.92147987    -11.27575586
  O     11.13241944      7.16576806    -12.92005341
  H     16.47227876     10.40282752     -8.42678096
  H     14.90181990      0.98745937    -11.17111167
  O     18.05743454      5.12367197     -9.27546401
  H     15.84702219      9.99821239     -9.77907564
  H     12.94993094      7.00173865     -9.42185835
  O     16.74268692      4.01595131    -13.72636048
  H     14.89611534      6.29775380    -13.06213538
  H     14.19733266      6.51271176     -8.66961842
  O     15.78411885      1.05671956    -11.55748767
  H     15.34821349      5.19227562    -14.03727709
  H     16.77097044      6.41046903     -8.88013182
  O     13.27461337      6.28893718     -8.85655006
  H     17.47536531      7.94578353    -13.59492765
  H     16.25731275      7.89828346     -8.85308000
  O     15.98544042      6.97118626     -8.88196413
  H     16.50430256      9.19485265    -13.52316662
  H     14.32371482      9.51842569    -14.14775954
  O     14.97965429     10.19134192    -13.89328755
  H     17.80975783      5.44740717    -13.98946658
  H     14.86341434     10.92639054    -14.48947160
          69
 Energy    -249.40104810285385     
  O     16.97740991      8.00107022    -15.26728956
  H     17.63451757      8.35637954    -15.89330111
  H     18.29371014     10.05817619    -17.03508358
  O     18.68705919     14.11094663    -17.49638929
  H     16.69032002      7.16188057    -15.61662896
  H     18.51476725     11.58162784     -9.71524746
  O     21.84305514      9.58056925    -13.72988241
  H     18.70118972     14.52465778    -18.35513540
  H     17.75968072     12.87171778    -10.08548460
  O     18.24470943     14.42689904    -11.08670411
  H     19.54126726     13.65272547    -17.38875896
  H     20.24690421     16.45207206    -12.34774475
  O     14.63734726     11.99798969    -13.33720583
  H     21.78736586     10.52686086    -13.52387395
  H     19.06110897     16.31303039    -13.31995160
  O     20.35931403     10.88902295     -9.70319184
  H     21.39165477      9.14418002    -13.00138532
  H     19.89819125     13.78082932    -10.87401165
  O     16.12571789     10.35599595    -11.51068228
  H     17.74215629     14.05886144    -11.82844451
  H     20.75900111     12.61445686    -10.31208043
  O     21.40715025     10.04204813    -16.38381434
  H     18.52523989     15.30421645    -11.38261637
  H     17.62492450      8.55951107    -13.64687419
  O     21.40612390     14.54031710    -14.68939361
  H     13.69932662     12.16597331    -13.35418704
  H     17.27886471      9.41743567    -12.37176162
  O     21.24555663     12.20592717    -13.24826008
  H     14.83332539     11.41284875    -14.09150889
  H     21.15780239     11.93690817    -16.72079063
  O     15.37159104     10.41899271    -15.40839268
  H     20.35487954     10.14025828    -10.31916326
  H     21.37546085     13.40076096    -16.23173684
  O     18.73214888      9.20036422    -16.94466810
  H     20.62115047     10.53965172     -8.85367195
  H     21.68605563     14.85343628    -11.57096712
  O     17.63213920     11.95562707     -9.80813204
  H     15.54311155     10.92011674    -12.03071658
  H     22.73269803     15.98647972    -11.64091261
  O     19.29973793     16.61118725    -12.43249469
  H     16.56844989     10.92713190    -10.86566860
  H     18.03438998     14.63097087    -14.37572807
  O     20.80584306     13.44502658    -10.80072747
  H     21.55770177      9.80965439    -15.45175896
  H     18.58072199     14.93909606    -15.79094441
  O     17.99977390      9.00553890    -12.87802552
  H     22.13628604      9.66867490    -16.87444876
  H     19.43262011      8.76977170    -11.95481706
  O     21.02577140     12.86314498    -16.95396199
  H     20.46807657     14.78063349    -14.74137570
  H     20.32861564      7.78166018    -11.17551852
  O     22.00711696     15.58977289    -12.11686743
  H     21.76308666     15.00291631    -13.92144851
  H     19.60954735     11.65398420    -13.83204880
  O     18.68298109     15.16369182    -14.85784014
  H     21.10708816     12.56820322    -12.36459291
  H     18.48971537     10.57725457    -13.68959897
  O     20.26105469      8.69387409    -11.44744864
  H     21.37523806     12.96509756    -13.83150223
  H     17.79849097     12.53880314    -16.98551725
  O     18.70953486     11.42600659    -14.09383998
  H     16.00298712     10.93093749    -15.93422420
  H     18.00674812     11.62497440    -15.74959574
  O     17.53932375     11.69684449    -16.59734151
  H     15.76199329      9.54280261    -15.32204716
  H     16.13194223     13.10860232    -13.35208509
  O     17.02852502     13.46258642    -13.37013227
  H     19.65750960      9.40596632    -16.76738989
  H     17.61139925     12.71322869    -13.56691397
          69
 Energy    -249.40091640329723     
  O     13.47568845     13.80646053    -11.82832452
  H     13.12164713     12.90809758    -11.80864048
  H     12.72972023     11.85535991    -15.44440580
  O     15.26655062      9.66958244    -18.00471687
  H     14.23635195     13.81978477    -11.23561867
  H     14.21410261     12.74462879    -17.38179295
  O     14.82942919      9.47516295    -11.71687401
  H     15.40649689      9.48085513    -18.92858954
  H     15.75072906     12.88827078    -17.44346954
  O     17.74867432     14.70396394    -12.37594598
  H     15.18707585     10.63802310    -17.92678121
  H     12.04588010     14.01972557    -16.70692621
  O     13.50836601      8.74248761    -16.04141215
  H     15.58850811     10.04642076    -11.54861895
  H     13.20726495     13.95440946    -15.68509739
  O     13.23975552      7.30639866    -10.94933397
  H     14.06352664     10.05754603    -11.82568407
  H     20.10106252     12.02351337    -12.83018536
  O     13.79837226      5.79065285    -13.13642291
  H     17.15806324     14.49948011    -11.64140399
  H     18.82327830     11.99832703    -13.70388907
  O     15.40236641     12.10576507    -14.05404974
  H     18.31338258     13.93088092    -12.49813957
  H     16.59501877      9.22394863    -16.69402717
  O     12.56629574     11.07099723    -12.12222699
  H     14.15074599      8.47229783    -15.36717552
  H     16.65835975      8.62574511    -15.27349417
  O     15.31764413      7.99534388    -14.05640255
  H     14.02212888      8.98883879    -16.82100878
  H     12.16449336      7.87622252    -15.00012809
  O     17.89144802     11.58343368    -15.12084000
  H     12.38999549      7.73044910    -11.12212657
  H     12.34771316      6.76324938    -13.95830023
  O     12.90840151     11.12999109    -14.83372102
  H     13.89678816      8.00988134    -11.05166395
  H     17.08170542     15.44449708    -13.79076502
  O     15.01115736     12.33555585    -17.73433922
  H     13.61373325      6.23226414    -12.28761988
  H     16.96211165     16.68560486    -14.70587118
  O     12.74454425     13.45758016    -16.38347790
  H     13.90553429      4.86252510    -12.94850051
  H     17.64775478     11.58437763    -11.95191479
  O     19.17539086     12.25036164    -12.83102716
  H     14.65000815     11.58306319    -14.35659363
  H     16.20684366     11.68571013    -12.50670922
  O     17.18638407      9.07535004    -15.94536142
  H     15.11023938     13.02205641    -14.12797429
  H     14.92241715     15.16180455    -14.38221314
  O     11.73014535      7.44403239    -14.25427954
  H     12.61480497     11.13727374    -13.08950571
  H     13.85484962     14.47214091    -13.43235897
  O     16.64404521     15.79443831    -14.58688432
  H     11.92094485     10.37591194    -11.94260173
  H     11.17977478      8.31974502    -12.82520555
  O     16.72101742     11.47181424    -11.70981098
  H     14.94513769      7.13494923    -13.82532632
  H     10.03120480      8.59861215    -11.82984863
  O     14.12501907     14.61884039    -14.35300235
  H     15.20201167      8.55145222    -13.27367555
  H     16.20584859     12.85212437    -10.70950171
  O     10.96378008      8.73795263    -11.97230577
  H     17.81796359     10.67803443    -15.45504331
  H     16.05069165     13.67133255     -9.40625864
  O     15.94055960     13.71699498    -10.35297815
  H     16.99819212     11.81383110    -14.82188604
  H     17.58257858     13.09286251    -16.23248269
  O     17.12031140     13.81396163    -16.68013452
  H     13.02481701     10.31567583    -15.34092303
  H     16.99833849     14.50667817    -16.02182490
          69
 Energy    -249.40036463902146     
  O     10.68812685      9.34781541    -12.54024786
  H     11.39706727      9.71124530    -13.08433430
  H     15.45799661      4.69262079    -17.07289879
  O     14.26574212      6.08604832    -14.38324471
  H     10.31485206      8.61024770    -13.03929103
  H     17.19498002      6.42689003    -16.25579606
  O     16.92035081     11.17809336    -11.07356858
  H     13.46362499      6.52493807    -14.69962060
  H     18.08526071      6.57706052    -15.00352944
  O     14.71301886     10.29796231    -16.43777497
  H     14.86111335      6.78708561    -14.07177677
  H     15.49009605      8.65230897    -12.83188190
  O     12.14827015      7.58457572    -15.30830289
  H     17.10494908     12.07019207    -10.79210750
  H     16.36049213      8.58893420    -14.11600523
  O     16.39433178      7.01359190     -9.31149373
  H     17.50678684     10.99500551    -11.83091649
  H     10.48604307      8.57270554     -9.45697100
  O     13.92573732      5.35984102    -11.74000702
  H     14.57705853     10.98406863    -17.08685462
  H     10.94326651      8.69839363    -10.93107159
  O     14.59563889      9.85995420    -11.84798115
  H     14.46750644      9.45726309    -16.86420258
  H     20.76253346      8.16760654    -11.71598720
  O     13.96197502      7.89232738    -17.42943409
  H     11.31866524      7.29832364    -14.90742166
  H     19.33342657      8.41250952    -11.16973920
  O     16.64220532      4.78869884    -11.15611835
  H     12.40836600      8.40924923    -14.87088912
  H     11.05355982      6.49220770    -10.98122594
  O     17.23644187      9.55673987    -15.38028323
  H     15.49155252      7.31360136     -9.47803894
  H     12.02954729      5.47546724    -11.61239137
  O     15.56370707      5.58344078    -16.74805792
  H     16.50947283      6.21760461     -9.84261506
  H     18.16949763     10.26038204    -13.96796443
  O     17.92169372      6.94060256    -15.88171240
  H     14.79313134      5.03476783    -11.46955062
  H     19.08004565      9.72301970    -12.83832446
  O     15.91383111      8.04746848    -13.45150675
  H     13.99054447      5.52096219    -12.69261994
  H     18.73218098      6.87329154    -12.66428439
  O     11.08472445      8.20681293    -10.10212633
  H     15.33956204     10.37011486    -11.50161187
  H     17.24899710      6.93796607    -13.09045337
  O     19.84265758      8.16771534    -11.96567210
  H     14.33812281      9.19739339    -11.19074123
  H     17.64689667      8.25613833     -9.61844973
  O     11.11124605      5.77325639    -11.62331232
  H     14.54339700      7.12657911    -17.36025298
  H     17.79120095      9.70566710    -10.14602888
  O     18.55684624     10.48601166    -13.11122146
  H     13.21312436      7.71532588    -16.84227734
  H     13.84901849      6.94051181    -10.79057719
  O     18.00326768      6.33400867    -13.00004850
  H     17.17401781      5.25594951    -11.82169252
  H     12.90254784      7.92636887    -10.05598766
  O     18.29259456      8.91947185     -9.90480988
  H     17.11216160      3.98565628    -10.94481625
  H     13.55775835      9.99465404    -13.32468000
  O     13.83004900      7.74580924    -10.25375902
  H     16.44280706      9.84288862    -15.84776036
  H     13.57819954     10.21578042    -14.85971090
  O     13.00894661      9.96512885    -14.12261524
  H     17.52965550      8.70274126    -15.73556324
  H     10.32653487      6.40074023    -13.04975989
  O      9.92234678      6.87642446    -13.79781761
  H     15.10906002      5.62579366    -15.88963284
  H      9.06708567      6.48313906    -13.94698723
          69
 Energy    -249.39982923559754     
  O     15.98484856      8.84054091    -15.72497827
  H     16.20104023      7.90844805    -15.56094227
  H     18.96653507      6.37149184    -17.51622609
  O     13.61856123      5.70557792    -17.73727065
  H     16.48203115      9.33711376    -15.06447972
  H     17.27349332      6.18094634    -14.40506612
  O     17.78039967      5.99837052    -12.60027660
  H     12.77087172      5.60725768    -18.16186208
  H     17.68758300      6.48889274    -15.87972275
  O     18.47884474      4.86941534    -18.28866217
  H     13.51255342      6.39029850    -17.05253889
  H     14.20448662      8.20216145    -15.82970412
  O     12.43884338      6.21273914    -10.72500534
  H     17.45483688      5.10435557    -12.42881559
  H     13.45776029      7.28674092    -14.85508937
  O     14.44542889      4.10920268    -13.54415214
  H     18.73184835      5.93094083    -12.74621930
  H     16.07031316      3.73633393     -8.79663863
  O     16.12153498      8.04996736    -12.05410823
  H     17.63700384      5.20111679    -18.63856005
  H     15.64577422      4.91736319     -9.69945058
  O     18.97117523      3.32561550    -14.15433194
  H     18.27388393      4.08081468    -17.77652014
  H     14.70378411      4.56709230    -16.76465399
  O     13.28038163      3.64487623    -11.02272955
  H     11.55873827      6.29715213    -10.36951928
  H     15.91417337      4.94650463    -15.87587750
  O     19.69437986      8.13338760    -14.53914846
  H     12.62798311      5.25936140    -10.79268188
  H     21.22987572      5.28082918    -13.10960448
  O     17.61097162      2.69425164    -16.58471214
  H     14.26270192      5.05124612    -13.41641040
  H     19.95491537      4.73547654    -13.78909607
  O     18.96068692      7.21954155    -17.04372202
  H     14.65180529      3.99758218    -14.48058006
  H     15.99122857      3.58579181    -12.75166772
  O     16.94046501      6.27007262    -15.30596737
  H     16.73609289      7.30680402    -12.17591370
  H     16.58069227      3.47851595    -11.32674019
  O     13.47359014      7.57372124    -15.77811793
  H     16.54381452      8.79309568    -12.49652226
  H     15.51102235      7.21753821    -10.44830294
  O     15.81736108      3.95874990     -9.68865117
  H     18.27773838      3.18494294    -13.49691039
  H     14.18254460      6.58401769     -9.99737775
  O     15.35744344      4.20096664    -16.15708936
  H     18.58698616      3.08884292    -15.00687833
  H     16.34456904      7.08828535    -18.91925456
  O     20.38318249      5.54632329    -13.45846139
  H     14.08634782      3.59029625    -10.49440327
  H     15.25267030      6.02510359    -18.69741609
  O     16.81411644      3.43432682    -12.26311387
  H     13.57285488      3.62576703    -11.94470419
  H     14.60412352      7.30271119    -12.78998071
  O     15.13017788      6.59865773     -9.81282532
  H     19.55564373      7.90410806    -15.47005327
  H     13.24196253      6.70940113    -12.34282514
  O     16.12895635      6.16094385    -19.07528036
  H     20.04991167      7.33262495    -14.13867321
  H     18.42614697      9.20699662    -13.95541165
  O     13.83127691      6.81075616    -13.10077900
  H     16.75194829      3.13421157    -16.47031612
  H     18.08317378     10.63630282    -13.48139453
  O     17.69213470      9.79411819    -13.69825768
  H     17.42984185      1.82265113    -16.92848621
  H     16.89670463      9.65124086    -18.74948468
  O     16.95347473      8.81353338    -18.29732105
  H     18.42098918      7.82445199    -17.56612562
  H     16.55057905      8.93616905    -17.42162191
          69
 Energy    -249.39967636414701     
  O     15.56558253      8.72032260    -15.86325002
  H     15.95489879      8.85496313    -16.73757738
  H     18.32871366      7.08296795    -16.39502929
  O     14.22654572      4.89591510    -17.72361858
  H     16.06582369      9.24933963    -15.22939052
  H     17.39430163      6.30560909    -14.42443818
  O     18.05199471      6.09720419    -12.73053496
  H     13.43211426      4.58748022    -18.15057686
  H     16.42348720      7.08149853    -15.38501594
  O     19.21711058      5.07954640    -18.32050227
  H     13.95162166      5.56203327    -17.06747967
  H     14.12878047      7.56333650    -15.95000262
  O     12.57470332      5.88860298    -10.66088255
  H     17.84380276      5.19210255    -12.46018538
  H     13.53117866      6.60372658    -14.92013341
  O     14.78577974      3.83230324    -13.36778428
  H     18.99580225      6.15072548    -12.92386488
  H     16.40591286      3.93028851     -8.55252858
  O     16.09795777      7.89827269    -12.16124639
  H     19.56772940      4.58689086    -19.05770404
  H     15.87595879      5.00189288     -9.53369201
  O     18.31273532      2.75844189    -14.54055807
  H     18.28107227      5.25215836    -18.52417642
  H     15.39749532      3.97543784    -16.55541770
  O     13.67846748      3.41017793    -10.80815707
  H     11.69078113      5.89636117    -10.30502668
  H     16.45334611      4.70329002    -15.70929834
  O     19.55968444      8.80060692    -14.61595376
  H     12.86731226      4.95915261    -10.67388246
  H     21.51659612      6.13423878    -13.29026743
  O     20.11407613      4.55943117    -15.59464668
  H     15.12166055      3.71524376    -14.26571832
  H     20.51244268      5.72119501    -14.39256635
  O     18.93683336      7.51938059    -17.01582806
  H     14.48255833      4.74913787    -13.30517942
  H     16.34749996      3.62251701    -12.49026626
  O     17.06595068      6.36342242    -15.33156907
  H     16.37176561      8.68868386    -12.63798826
  H     16.97656144      3.64380756    -11.08159613
  O     13.58338126      6.76931135    -15.87028596
  H     16.82369366      7.26281831    -12.27069092
  H     14.26965465      6.49078910     -9.97157356
  O     16.14089421      4.06780168     -9.45790359
  H     18.04924125      2.87164686    -13.61978175
  H     15.54647939      7.17564923    -10.49478039
  O     16.04020053      3.83684817    -15.85106307
  H     17.52430099      2.94823283    -15.06685864
  H     15.80643654      5.49998999    -18.55468833
  O     20.66332476      6.34580916    -13.65822350
  H     14.48316623      3.46658676    -10.27794766
  H     16.57356957      6.80913037    -18.81941947
  O     17.19436480      3.58104693    -12.01951083
  H     13.97344543      3.35256078    -11.72758821
  H     14.61756641      7.01013562    -12.81775809
  O     15.20951986      6.61224330     -9.78671970
  H     19.47349551      8.51247750    -15.53482663
  H     13.30325771      6.35206523    -12.32162780
  O     16.63667765      5.85125879    -18.89993356
  H     20.01611415      8.07213945    -14.17804181
  H     18.05431162      9.53100713    -14.09445664
  O     13.87222056      6.45916143    -13.09411101
  H     19.54922806      3.86714684    -15.21765679
  H     17.33761449     10.82614102    -13.64995552
  O     17.18502949      9.91236497    -13.87669365
  H     19.83669867      4.66403881    -16.50978707
  H     17.14630168      9.36102251    -19.01056824
  O     16.88533188      8.72591591    -18.34851974
  H     19.29510820      6.80201406    -17.55154327
  H     17.70216197      8.39463624    -17.93575462
          69
 Energy    -249.39946079989301     
  O     13.44218154     11.72858252    -15.15711543
  H     13.28198111     10.96507326    -15.72612696
  H     12.58169361      6.23682823    -15.45164212
  O     14.71954585      6.37537762    -13.29702556
  H     14.37223121     11.95982158    -15.26671107
  H     19.25913853      5.26449510    -15.97305870
  O     18.16313621      8.84663708    -12.48227089
  H     15.65513903      6.13478245    -13.25967465
  H     18.15846512      6.32074921    -16.22310176
  O     17.29065479      9.71419645    -16.15294946
  H     14.30811952      5.98492172    -14.08177604
  H     16.32308082     11.78134784    -14.29242803
  O     11.22805635      7.56946956    -15.21384408
  H     18.83342649      8.82677217    -13.18246724
  H     16.69578677     13.06978675    -15.06207251
  O     16.21199203      9.28340004     -9.07612031
  H     18.57208600      8.77819249    -11.61145460
  H     15.05013555      7.95887567    -14.10973366
  O     13.57823426      7.60832459    -11.15748299
  H     16.61269089      9.25237946    -15.63454171
  H     15.44363468      9.45824388    -13.90827555
  O     16.26764978     10.75669919    -12.85792527
  H     17.07557121     10.64756122    -16.05725603
  H     11.76753978     12.14137869    -12.52452900
  O     14.35706542      7.14589570    -17.90521968
  H     10.29956464      7.40323918    -15.35144816
  H     12.76261949     11.55836634    -13.55214894
  O     15.09684852      6.64743595     -8.99506936
  H     11.31451127      7.93956287    -14.31643134
  H     17.45957471      5.88168336    -11.19790001
  O     17.15557827      7.18981041    -17.35686700
  H     15.59978718      9.79104837     -9.62231973
  H     18.00003389      6.75619782    -10.04927969
  O     13.38083531      5.71026850    -15.58655057
  H     15.77644576      8.43664586     -8.91278887
  H     12.13170605      8.24919562    -12.14074512
  O     18.75201847      5.94962484    -15.54593785
  H     13.96526865      7.22534888    -10.36171641
  H     11.75773592      9.62079903    -12.74451697
  O     16.27871171     12.21769556    -15.16230068
  H     13.96158874      7.12721207    -11.90783652
  H     19.47729326      7.70863939    -15.06815008
  O     15.20679102      8.79410795    -14.56701589
  H     16.98642354     10.12749983    -12.69156877
  H     18.88922531      9.10383349    -15.32653067
  O     12.37981970     11.42406105    -12.66755635
  H     15.63353392     10.67653994    -12.13357176
  H     17.90934664      5.98697699    -13.89122233
  O     17.42538043      6.00458429    -10.24058061
  H     13.96169223      7.93042971    -17.49157947
  H     17.62537131      7.12632753    -12.88100327
  O     11.55028113      8.67973187    -12.78130708
  H     14.00773189      7.10048800    -18.79229360
  H     17.86460999      8.87921079     -9.49882932
  O     19.55755651      8.63418302    -14.80791914
  H     15.90121147      6.33178547     -9.44509588
  H     19.36304724      8.81116197     -9.11438212
  O     17.45107925      6.19163965    -13.06693170
  H     14.92496057      6.04021370     -8.28061659
  H     14.07600316      9.34618133    -11.04128306
  O     18.73349450      8.53289849     -9.77356213
  H     17.28257244      8.12655234    -17.15412571
  H     13.63433140     10.77566411    -11.43429247
  O     14.32341256     10.28112521    -10.97302984
  H     16.22110816      7.09386583    -17.57412107
  H     13.91212153      9.06481289    -15.72688141
  O     13.21287154      9.17664535    -16.39350658
  H     13.76580646      6.03285315    -16.40941401
  H     12.44081640      8.70099244    -16.05857338
          69
 Energy    -249.39807630730783     
  O     15.61772776      8.65357520    -15.51699828
  H     16.01853331      7.76929229    -15.51708083
  H     18.65421982      6.99753886    -18.36614811
  O     12.99945025      5.33640733    -16.67214511
  H     16.17666928      9.18457743    -14.93819650
  H     17.73844563      6.09706123    -15.19383598
  O     19.29201820      5.47122656    -19.13325877
  H     12.08067647      5.12679718    -16.81460828
  H     17.34167841      6.63013356    -16.57109542
  O     16.92528716      4.23457600    -19.30942787
  H     13.02707518      6.05237269    -16.01163722
  H     13.95260776      7.90871484    -15.07887915
  O     13.77923750      5.85959168     -9.60364929
  H     19.84287617      5.29107245    -19.88965364
  H     13.43555605      7.04910551    -13.91530314
  O     15.37515377      4.15269618    -12.92570221
  H     18.44362190      5.01307872    -19.28301339
  H     18.38945765      4.50091362     -8.75714418
  O     16.75308900      7.64866542    -12.02758757
  H     16.16963762      4.82064967    -19.15246765
  H     17.34635068      5.49850896     -9.31897910
  O     15.18792931      3.59747902    -10.16723229
  H     16.90825511      3.56124904    -18.61984330
  H     14.44863632      4.37135050    -16.04813270
  O     19.44974327      8.45524274    -15.32389227
  H     13.04389242      5.71184286     -9.01557405
  H     15.88747409      4.86747509    -15.75586058
  O     17.09264003      2.50028679    -17.02920357
  H     14.20866934      4.99610544     -9.74292216
  H     19.05340750      5.41886813    -13.64963571
  O     19.48410585      4.05681561    -16.58524113
  H     14.89587238      4.97796098    -12.76160918
  H     19.53553412      5.11015044    -15.12198150
  O     18.28499849      7.68125055    -17.79047467
  H     15.31166963      3.98297212    -13.87349417
  H     17.08007827      4.67422906    -12.53278492
  O     16.97144709      6.26186634    -15.75750593
  H     17.27152989      6.84831671    -12.18810788
  H     18.02326545      4.86413638    -11.31663272
  O     13.25069113      7.29317919    -14.83222909
  H     17.09181861      8.34962242    -12.59609774
  H     16.55029401      7.38822557    -10.16953006
  O     17.77849932      4.63944808     -9.47546607
  H     16.09001441      3.77657946     -9.87394003
  H     15.47225949      6.73349410     -9.28244145
  O     15.30570815      4.09108670    -15.70477950
  H     15.22134500      3.58076217    -11.13371809
  H     15.07560467      6.94763930    -18.64604431
  O     19.40552074      5.80775759    -14.46067845
  H     19.14543898      8.30874299    -16.22926159
  H     14.18899738      5.81198588    -18.09181149
  O     17.91584351      5.07437250    -12.25229300
  H     19.61214564      7.57250646    -14.96082054
  H     15.03855864      7.07057140    -12.22960453
  O     16.40436047      6.98398808     -9.30323983
  H     16.40956223      2.97576182    -16.52742615
  H     13.89920078      6.43825936    -11.38464042
  O     14.87741238      6.00897178    -18.73769695
  H     16.93094799      1.56914551    -16.90063379
  H     18.31044921      9.28133766    -14.33948468
  O     14.18847921      6.60947241    -12.28926544
  H     18.73435488      3.45977372    -16.69631184
  H     17.91733675     10.53766014    -13.52380635
  O     17.60390376      9.68048268    -13.79847078
  H     19.55802440      4.53506795    -17.41941609
  H     15.30785244      9.52170240    -18.66488408
  O     15.68508907      8.73342635    -18.28249601
  H     17.50765069      8.06472798    -18.21186460
  H     15.60307309      8.82211194    -17.31827542
          69
 Energy    -249.39797952726846     
  O      1.27426004     -0.03240254      6.00261163
  H      0.79658662      0.03563074      5.16325160
  H     -0.71627627     -2.58549668      2.50136327
  O      4.49527397     -2.10841460      7.95073348
  H      1.62423113     -0.93247702      6.06831451
  H      1.69850499     -4.49786015      3.31324300
  O      6.16393476      0.96336130      4.95604809
  H      4.75544373     -2.54472369      8.75728047
  H      2.39116042     -5.49955758      2.35704896
  O      2.77758450      3.53067199      4.03521342
  H      4.40983814     -1.15972529      8.15668139
  H      3.61769235     -3.43010769      3.25257786
  O      0.09066071      0.05519184      3.50840426
  H      6.21143714      1.50681824      5.75202073
  H      4.18104073     -1.99133798      3.10789968
  O      1.67255144      2.42516595      0.41002987
  H      6.23007266      0.02775715      5.20633653
  H      1.15425720     -3.40157699      1.52871951
  O      3.53391551      3.72695941      6.70898086
  H      3.27203666      3.73138996      3.22805765
  H      0.87313176     -1.95077345      1.05962215
  O      4.24789403      0.53770940      8.39283402
  H      2.96003140      2.59383138      4.20585587
  H      1.18793649     -3.57128133      5.26252991
  O      1.75566418      1.83139092      7.92356831
  H     -0.50110959     -0.70787297      3.50187152
  H     -0.06182725     -3.51134330      4.34414228
  O      5.90169122      2.55652816      7.23947979
  H      0.66438294     -0.04760551      2.73606968
  H      4.31663446      0.88367302      4.82793045
  O      1.64407286     -0.27379518      1.15670375
  H      1.15415590      2.63473612      1.20823218
  H      2.80750242      0.52633162      5.12510471
  O     -1.25133189     -2.40533149      3.29690545
  H      1.29331313      2.93285589     -0.30276465
  H      1.08533783      3.16059821      3.30802341
  O      2.31110691     -4.57083265      2.55850143
  H      2.85036114      3.19341264      7.13216443
  H      0.11811064      1.96051895      3.13003241
  O      4.12184062     -2.74607988      3.71042436
  H      3.25971776      3.83865386      5.78811526
  H      5.50173521     -2.16795215      4.89697411
  O      0.45546912     -2.80630274      1.23258767
  H      4.89293395      1.18417794      8.08265092
  H      5.60823455     -1.89360748      6.40858808
  O      0.64678101     -4.08965577      4.65187571
  H      3.38921428      0.97579441      8.35014739
  H      6.27054166      1.36213898      3.19888570
  O      3.41830674      0.88365406      4.47159945
  H      1.48978150      1.17964898      7.25213448
  H      7.12427160      1.61095597      1.93680915
  O      0.36341162      2.81801740      2.76240735
  H      0.98705967      2.00000437      8.46252012
  H      3.42779525      3.02549601      1.11551653
  O      6.01942401     -1.69245288      5.55939636
  H      6.48407612      3.15910740      7.69372069
  H      4.82383821      2.79080079      1.75027590
  O      6.22648872      1.49028425      2.23596020
  H      5.08808378      3.05294268      7.03196770
  H      3.06899007     -2.52734157      5.19700071
  O      4.12936911      3.44794651      1.62585344
  H      2.56660389     -0.40306745      1.41909748
  H      3.13684813     -2.45487608      6.74336973
  O      2.52505906     -2.47604150      5.99678037
  H      1.60302038      0.60431429      0.75774974
  H      4.95114509      0.09589969      1.98249061
  O      4.16796828     -0.41590897      2.21224174
  H     -2.14956779     -2.64550471      3.08578839
  H      3.79252841      0.03862783      2.98589768
          69
 Ord_Energy   -249.397842    
 O   0.352672309      0.882735491       2.97055125    
 H   0.188606784      -3.61667387E-02   2.71200395    
 H    1.20438993       1.11889899       2.58448696    
 O   0.948020339       3.24115157       2.03722995E-02
 H   0.145309627       3.24583244      0.556560636    
 H    1.59492075       2.72115254      0.512667298    
 O   -3.99809241     -0.519550562      0.566155076    
 H   -3.45208120      0.169065788      0.160569787    
 H   -4.41577196     -0.116732232       1.34160697    
 O   -1.29557598       2.76332092       1.67645860    
 H  -0.756782234       2.09225488       2.12118387    
 H   -2.00272083       2.99168348       2.29109597    
 O    1.79668152      0.234724283      -3.10883307    
 H    1.60657454       1.17567980      -2.98998380    
 H    1.03495502     -0.121485658      -3.57751107    
 O   -2.56744528      -4.33736801      0.372749060    
 H   -1.70393336      -4.48903465      -2.93765999E-02
 H   -3.07947850      -3.84067440     -0.277304441    
 O   -4.75843906      0.614752829       2.94009566    
 H   -4.40886450       3.36212814E-02   3.62641525    
 H   -4.36813307       1.48016095       3.11369491    
 O   -3.90804219      -2.44315910      -1.38233328    
 H   -4.01270390      -1.75457418     -0.703655064    
 H   -4.76671886      -2.56306934      -1.78058851    
 O  -0.759281456     -0.495469987      -4.35457706    
 H   -1.10495174      0.327791780      -3.96277952    
 H  -0.854580522     -0.411943734      -5.29943514    
 O   -1.31012416      -2.39688468      -2.43913698    
 H   -2.24480343      -2.37034225      -2.19261718    
 H   -1.16896093      -1.80342150      -3.18963361    
 O  -0.365752459     -0.549399793     -0.558068156    
 H  -0.624127626      -1.21656394      -1.20590878    
 H   0.582097709     -0.394592524     -0.653204083    
 O   -9.28480476E-02  -4.47420120      -1.12389851    
 H   0.124814346      -5.20346403      -1.70010769    
 H  -0.469102442      -3.77645445      -1.68648911    
 O    2.65993929       1.44992137       1.42311144    
 H    2.64173365      0.767319202      0.729006588    
 H    3.57227468       1.55492413       1.68029213    
 O   -1.68319309       1.16194010       4.91719055    
 H  -0.886356294       1.04815912       4.38218403    
 H   -2.14762855      0.315377623       4.91102791    
 O   0.995991409       2.93289328      -2.66065097    
 H    1.36940932       3.72729802      -3.03317642    
 H   0.972553968       3.06395388      -1.69582891    
 O    2.45683408     -0.420648932     -0.537654281    
 H    2.37452531      -1.36021483     -0.313689083    
 H    2.39492965     -0.299233645      -1.49658787    
 O   -3.30921030      -1.18019688       4.68795061    
 H   -3.61823654      -1.78420913       5.35858202    
 H   -3.11453581      -1.71564078       3.90034366    
 O   -1.54918301       1.79584873      -3.17327142    
 H  -0.725486100       2.28359222      -3.04101491    
 H   -1.96062529       1.73723900      -2.30089402    
 O   -2.80789304      -2.40617776       2.29747796    
 H   -2.73351598      -3.20874524       1.76148677    
 H   -3.18491888      -1.72749662       1.71979153    
 O   -3.27261353       2.96800542       3.67370009    
 H   -2.70711613       2.37644768       4.20441628    
 H   -3.54846573       3.67607617       4.24938965    
 O    1.81780541      -2.93763375      0.384332299    
 H    1.25908256      -2.62436438       1.10837698    
 H    1.25986779      -3.54008436     -0.121401533    
 O   -2.28653574       1.36332119     -0.500371397    
 H   -1.56470120      0.715156913     -0.550071120    
 H   -2.04770064       1.96069384      0.220293567    
 O  -0.150827184      -1.63211286       1.97181523    
 H   -1.01522183      -1.98640513       2.21169043    
 H  -0.260344058      -1.26066518       1.08224308    
          69
 Energy    -249.39753605861819     
  O     13.45699434     12.07997753    -14.39867218
  H     14.26092433     12.45551536    -14.02091188
  H     19.62608822      7.06787169    -14.64014603
  O     14.90866088      6.10651041    -13.95350217
  H     13.72796609     11.61447930    -15.20255390
  H     16.15079355     11.51415592    -16.16190742
  O     18.27322078      8.40564481    -11.66398808
  H     14.36825457      6.11131038    -14.75355077
  H     16.70170083     12.35805735    -14.99505981
  O     19.09615156     10.31853949    -16.02160115
  H     14.31809270      6.25399590    -13.19956706
  H     15.35050402      7.87761669    -14.26395318
  O     15.04835579      8.11905864     -8.88822854
  H     18.22087876      8.24361947    -10.71383274
  H     16.39771249      8.51091462    -15.20074125
  O     13.29980081      6.79176501    -11.82699326
  H     17.94070038      7.60496894    -12.09615116
  H     12.47324621     11.11097481    -13.38228096
  O     16.35118778     10.24433693    -12.38898069
  H     19.73305585     10.74246375    -16.59122268
  H     11.15573763     10.95737812    -12.58604895
  O     14.98107682      8.18003034    -17.87387120
  H     18.35052309     10.93835238    -15.93149288
  H     17.31740365      6.02281059     -9.75736782
  O     14.27630440      5.43496586     -9.58603579
  H     14.62347742      8.66758399     -9.56056916
  H     17.14934584      5.39974293    -11.15826744
  O     17.55559724      8.00665130    -16.50592001
  H     14.67941808      7.23361143     -8.99574089
  H     12.23699431      7.43090313    -13.27064969
  O     13.20945763      6.66429227    -16.12168970
  H     13.51245599      6.23659286    -11.06696280
  H     11.90743559      8.84737210    -13.75353105
  O     19.26308619      6.25610582    -15.04112890
  H     13.55945823      7.69404319    -11.58879451
  H     19.49580457      8.69568518    -13.08942821
  O     16.95378631     11.93161738    -15.82226210
  H     16.10607894      9.77506956    -13.20320093
  H     19.69249680      9.30072494    -14.51230038
  O     15.73263055      8.72133862    -14.53039307
  H     17.08240105      9.73396793    -12.01865257
  H     16.56992033      5.96742159    -13.29562197
  O     11.97301753     10.51389291    -12.79730997
  H     15.88051587      8.02407044    -17.55980794
  H     18.08695452      5.94045832    -13.61615275
  O     16.90602017      5.28861010    -10.22932993
  H     14.40809377      7.63799688    -17.31677481
  H     16.78873362      7.95510930     -8.91209448
  O     11.96798213      7.93264428    -14.05147221
  H     14.01581072      4.68774337     -9.05480277
  H     18.13005791      7.91411725     -8.14077351
  O     19.99019675      8.60354508    -13.91429440
  H     15.20956880      5.29662098     -9.82995362
  H     14.80316976      9.74839632    -11.54049955
  O     17.45037773      6.00175026    -12.89421480
  H     18.07900353      7.29029917    -16.12577573
  H     13.25580442      9.85394943    -11.62587136
  O     17.73842541      7.75410726     -8.99495640
  H     18.11586622      8.79462418    -16.48011562
  H     16.16687837     11.93200801    -12.87890645
  O     13.97920939      9.41793564    -11.15738375
  H     12.56277392      6.13572226    -16.58335944
  H     16.26490640     13.45969839    -12.65117707
  O     15.99520740     12.79967020    -13.28420254
  H     12.71763482      7.19013461    -15.46564621
  H     14.61297083      9.87031030    -17.11393958
  O     14.60215640     10.47587881    -16.36214420
  H     20.00547745      5.72025520    -15.30654283
  H     14.87019247      9.91567787    -15.61782162
          69
 Energy    -249.39693018802697     
  O     15.21272690     12.80429326    -16.34446465
  H     14.87727462     13.69471058    -16.40297856
  H     16.06125543      5.12121101    -15.52726333
  O     15.56752443      6.13567491    -14.06388305
  H     14.63505980     12.32806943    -15.72133627
  H     19.51185045      5.34294002    -12.40475066
  O     18.14189741      8.39805114    -11.55148825
  H     15.96928254      5.94257939    -13.20640269
  H     18.09157450      4.87535858    -12.05844530
  O     18.61739589      7.91660688    -17.23468280
  H     16.05944003      6.88375530    -14.43885751
  H     18.90394829     11.07588074    -18.70780202
  O     16.43931731      6.46863357    -18.37546114
  H     18.96728175      7.97820106    -11.82513296
  H     17.49299058     10.68006641    -18.20661813
  O     16.05099587      9.33932868     -9.97202407
  H     17.96639890      9.09711168    -12.20010122
  H     17.04332704      9.02547003    -14.56481139
  O     13.58347819      7.86871032    -13.18731595
  H     18.64111654      8.82735149    -17.55854695
  H     17.52096512      8.16693615    -15.78239952
  O     17.39639619     10.31465558    -13.36871648
  H     17.95326413      7.43777459    -17.74739472
  H     14.00998472     11.13912610    -13.78083247
  O     18.95963087      3.94018219    -15.10697758
  H     16.36918007      5.98569336    -19.19411518
  H     13.19954926     10.62177386    -14.98801358
  O     14.34629447      7.05514272    -10.51807272
  H     16.45394150      5.80748529    -17.65767652
  H     13.32005690      8.70924044    -16.22091589
  O     20.07745287      6.56718486    -15.25338212
  H     16.33093689      9.70062546     -9.13455543
  H     11.77751656      8.76596686    -16.12213527
  O     16.52908796      4.77074117    -16.29760938
  H     16.85050580      9.00622699    -10.41175302
  H     21.30403635      7.19509731    -12.43703982
  O     18.91680857      4.58621177    -12.47095919
  H     13.08565552      8.16913215    -13.95616327
  H     20.28081733      6.97140144    -13.57351302
  O     18.44644326     10.58992050    -18.02650937
  H     14.20024163      7.19594785    -13.51207446
  H     17.18353495      6.79028424    -11.54209383
  O     16.79026659      8.31821988    -15.16971788
  H     17.59785585     10.96956368    -14.05336925
  H     15.84996794      6.16248068    -11.07299468
  O     13.66570185     11.39394894    -14.64667175
  H     16.48114136     10.43722704    -13.08021873
  H     15.49640494     11.55098678    -17.70640639
  O     12.57904913      8.93037364    -15.63174909
  H     19.41715269      3.11103035    -15.21953484
  H     15.35066371     10.03222362    -17.95452938
  O     20.37424848      7.06998187    -12.60845480
  H     18.89704621      4.09352345    -14.14702530
  H     14.39759189      9.39802134    -12.63515317
  O     16.68310484      5.96284782    -11.52231028
  H     13.88552382      7.31125247    -11.32703063
  H     15.12406858     10.08849777    -11.45697511
  O     15.76486074     10.83448053    -18.29673637
  H     14.79577704      7.84999884    -10.20543393
  H     18.14529005     11.49698199    -16.30923475
  O     14.80344553     10.23276074    -12.35502233
  H     19.69171296      7.05077027    -15.99412094
  H     16.95228579     12.31535312    -15.78382106
  O     17.79968788     11.93232061    -15.52200359
  H     19.74028726      5.66471566    -15.31640731
  H     15.21443963      7.73712888    -17.66206126
  O     14.84725439      8.42879144    -17.09860162
  H     17.35993488      4.41822240    -15.95579375
  H     15.46673599      8.50197692    -16.35517300
          69
 Energy    -249.39588931080630     
  O     12.46580065     10.70895952    -15.68562723
  H     13.18125653     11.35113867    -15.63105858
  H     20.53988629      5.97469595    -14.36814075
  O     15.60336108      5.96225438    -13.30754881
  H     12.82913634      9.95808250    -16.17547038
  H     15.15291803     13.12292794    -15.88165516
  O     17.74106883      9.70000378    -12.13072695
  H     14.88196114      6.19576716    -12.70853982
  H     15.25871834     11.69333335    -16.45555210
  O     12.77898603      6.08741462    -16.52114348
  H     16.43277959      6.18328827    -12.86200627
  H     15.60995102      7.43773699    -14.36589197
  O     14.54324177      9.42953812     -9.23840618
  H     17.65572830      9.82110153    -11.17653556
  H     16.40714172      8.31137849    -15.39544599
  O     13.54933742      6.86139596    -11.68423900
  H     16.95384231     10.09389011    -12.53108380
  H     10.29790095      9.96956277    -13.49666182
  O     15.42525266     10.57152038    -13.41893380
  H     12.14192341      5.45802259    -16.84846330
  H     11.60470079     10.07699466    -14.31999636
  O     17.67060099      8.76781748    -16.65675003
  H     12.48341241      6.34279317    -15.62840573
  H     17.50777037      6.75757670    -10.36809585
  O     14.51510096      6.55487846     -9.06976321
  H     14.05778502      9.61638652    -10.05340070
  H     17.31867173      7.87532550     -9.33022479
  O     18.05137890      6.01115224    -16.30765629
  H     14.41614495      8.48895581     -9.06382803
  H     11.62997529      7.81048318    -13.92743932
  O     15.46258070      5.03737028    -15.93349897
  H     13.78742104      6.63473062    -10.77681186
  H     12.45691724      6.72160509    -13.23084083
  O     19.73938179      6.47963683    -14.25660203
  H     13.52804674      7.82825189    -11.72393741
  H     18.85511444      9.56260074    -13.67708654
  O     14.94496987     12.20994449    -15.69668540
  H     15.46900792      9.72974797    -13.90412037
  H     19.57383392      8.40629118    -14.40115435
  O     15.62102284      8.28174408    -14.83375692
  H     15.30621533     11.25645916    -14.08477948
  H     18.62674302      6.66421606    -12.80777941
  O     11.19264688      9.64463373    -13.55088106
  H     18.27473133      9.12661652    -15.98574061
  H     17.85201009      7.85937695    -12.18952595
  O     17.16809636      6.93405506     -9.48018368
  H     17.19606841      9.49144637    -17.07401544
  H     16.25708806      9.75253869     -9.30144569
  O     11.99214166      6.92545257    -14.05202901
  H     14.36790729      5.95205715     -8.34633104
  H     17.51605284     10.38100562     -8.65771929
  O     19.26760165      9.31563819    -14.51427714
  H     15.47931829      6.60678474     -9.20100458
  H     15.00253388      9.80140265    -17.62385668
  O     17.94474970      6.89600476    -12.16465222
  H     17.17197970      5.60932804    -16.26841992
  H     15.65951256     10.61982523    -18.75857526
  O     17.22760599      9.81044386     -9.36492633
  H     17.93267960      6.90708790    -16.64847611
  H     14.08285600     10.05411207    -12.31675841
  O     15.64479761     10.50848171    -17.81083187
  H     15.48357140      5.17386769    -14.97500768
  H     12.56580107      9.72501843    -12.29432338
  O     13.37971412      9.66266190    -11.77952139
  H     14.59479144      5.34233483    -16.21642622
  H     13.42575797      7.76591986    -17.01534437
  O     13.87892277      8.61016659    -16.90772920
  H     19.14810097      6.23388610    -14.99190053
  H     14.44748680      8.48664154    -16.12990463
          69
 Energy    -249.39571309043589     
  O     -0.41430235      2.97071639      3.53127150
  H     -0.62379927      3.08898398      2.59461715
  H     -1.10894122     -4.79554400      1.47809393
  O     -2.40543522      1.14504999      4.13203206
  H     -1.14049780      2.41683833      3.85449286
  H     -0.14690961     -2.75694491      4.59895705
  O      0.42907885      2.27584022      6.22470988
  H     -2.04578964      0.63310278      3.38935496
  H     -1.66379814     -2.98714069      4.67988764
  O      2.78790424     -1.44076764      0.17033687
  H     -3.34067510      1.28270890      3.94472495
  H     -1.92094216     -0.76900135      1.57716922
  O      0.38012601      2.12174166     -1.32643828
  H     -0.21862314      1.58424420      6.40926808
  H     -0.45464172     -0.49133426      2.05172945
  O     -0.96732367     -0.40578528     -1.58792793
  H      0.14538205      2.70994395      5.41073104
  H     -2.55992356     -2.75885338      1.13741844
  O     -4.51830653     -1.56160567      3.33666183
  H      3.51425832     -2.00726233     -0.07244825
  H     -3.70757888     -1.94479101      1.83017479
  O     -3.77912740     -0.30256618     -0.99165132
  H      1.97434541     -1.86204801     -0.16655646
  H     -4.72086099      1.51036377      2.30630649
  O     -1.26517680      2.48222447      0.90665894
  H      1.17252191      1.88526178     -0.81150057
  H     -5.80979845      1.76935091      3.37511396
  O      2.50105118      1.40257859      0.19590397
  H      0.67689907      2.66048491     -2.05475691
  H      1.81735010     -1.19142994      1.72361175
  O     -3.03682414     -2.15866752      5.73654072
  H     -1.91260078     -0.26369359     -1.46713981
  H      1.54832208      0.05409364      2.60723008
  O     -1.12542383     -3.84347537      1.54096873
  H     -0.54795861      0.46188788     -1.55224077
  H     -0.10430178     -1.81298167     -0.90817569
  O     -0.87266775     -3.24358814      4.19120041
  H     -4.06828282     -1.73102342      4.17270229
  H     -0.09525350     -2.94684533      0.16538466
  O     -1.33460648     -0.10501478      1.95619691
  H     -4.78535794     -0.63394647      3.34605557
  H      1.96142237      1.47059918      5.96481210
  O     -3.17962894     -2.02888571      1.01978648
  H     -3.62254163     -0.98455363     -0.31457145
  H      3.44737107      1.16454813      6.26993460
  O     -5.02746396      1.25547559      3.19606680
  H     -4.40269850     -0.67086556     -1.61269129
  H      1.23438449      2.20182731      3.18998825
  O      1.27769607     -0.86382676      2.45181668
  H     -0.73726096      2.49834064      0.09945434
  H      2.45047622      1.51863851      3.87098556
  O      0.44007023     -2.50555093     -0.50163754
  H     -1.26356597      1.56029201      1.20937451
  H     -0.45626390     -0.53587328      5.86267386
  O      2.73185890      0.94718981      5.67848748
  H      2.47928637      1.62677846      1.13423248
  H     -1.68765125      0.35970116      5.50718371
  O      2.05610143      1.72184833      3.01376993
  H      2.68260607      0.45530401      0.14131233
  H      1.71769958     -0.71574172      5.45944477
  O     -1.24145623     -0.10693940      6.23396264
  H     -3.40517945     -2.55908354      6.52074529
  H      1.11023228     -1.25487871      4.16085031
  O      1.04421394     -1.32005982      5.12715882
  H     -2.45767730     -1.44014517      6.03795792
  H     -3.13892725      2.28359838      0.78589708
  O     -4.02918462      1.90881403      0.77200374
  H     -0.99021245     -3.62800008      2.48017694
  H     -4.01062493      1.21077208      0.10525386
          69
 Ord_Energy   -249.395615    
 O   -5.73607969      -2.12692428       3.91662240    
 H   -6.46069145      -1.71881664       3.41990399    
 H   -5.94625854      -3.06820512       4.01343298    
 O   -5.51272678      -7.89605522       1.45840251    
 H   -5.01247358      -7.42112160       2.13312578    
 H   -5.09083319      -7.64398813      0.623631537    
 O   -2.59155464      -6.27275658       5.53544283    
 H   -2.29070187      -6.92905617       6.15737915    
 H   -3.31119037      -5.77915955       5.96893215    
 O   -2.29014015      -4.91185141     -0.916586518    
 H   -1.39084148      -5.03205156      -1.21310437    
 H   -2.23686171      -4.65913868       2.02786196E-02
 O   -4.46655703      -6.68103600     -0.768234968    
 H   -4.87991285      -6.70061541      -1.64135742    
 H   -3.63966370      -6.18944836     -0.852605999    
 O   -4.61529493      -4.71308184       6.45202303    
 H   -5.31836748      -4.81055593       5.79520750    
 H   -4.27711248      -3.81579256       6.33872414    
 O   -1.61995649      -3.84132433       4.35292959    
 H   -2.21010208      -3.20385766       4.77386475    
 H   -1.77895975      -4.67891312       4.80551004    
 O   -5.79971027      -4.42803192      0.385094941    
 H   -6.55069399      -4.67364264      0.939795136    
 H   -5.40284443      -5.23690081       4.23869193E-02
 O   -4.27177382      -4.05464029      -2.94894958    
 H   -3.58578444      -4.17236519      -2.28309417    
 H   -4.90122032      -3.41092038      -2.59272313    
 O   -6.23675013      -2.56336713      -1.64319491    
 H   -6.17181444      -3.25410366     -0.964419246    
 H   -6.11123610      -1.72181737      -1.18884206    
 O   -2.35705352      -4.19041348       1.73459959    
 H   -1.93803656      -4.06597471       2.59886026    
 H   -2.98340058      -3.45877743       1.63454843    
 O   -4.39535713      -2.36025214       1.49591553    
 H   -4.88291454      -3.09894848       1.09562945    
 H   -4.77228737      -2.23102999       2.37728262    
 O   -5.72074127     -0.398424625       9.39944312E-02
 H   -5.12549973      -1.00148630      0.571617186    
 H   -5.26139307      0.433269083       8.78995005E-03
 O   -8.21092701      -6.14350367      -1.74022830    
 H   -7.40038967      -6.26317358      -2.24855471    
 H   -8.13694477      -6.69543886     -0.953321218    
 O   -3.94605660      -6.17967701       3.06850171    
 H   -3.42964959      -5.55829382       2.54041243    
 H   -3.43982840      -6.34861898       3.87378812    
 O   -5.73299551      -6.33414316      -3.22102308    
 H   -5.23889446      -5.49481916      -3.23200440    
 H   -5.71070766      -6.67869711      -4.10974312    
 O   -6.17424440      -4.84493399       4.09768677    
 H   -6.91076851      -4.97375250       3.48507762    
 H   -5.41459274      -5.30566597       3.71331072    
 O   -9.56727409      -2.97758985       1.11155415    
 H   -10.4997921      -2.79036212       1.17561209    
 H   -9.37360954      -3.12827206      0.167610794    
 O   -8.89914799      -3.48766732      -1.43085039    
 H   -8.75014877      -4.43378496      -1.58029294    
 H   -8.08041096      -3.04934478      -1.69084263    
 O   -7.98225689      -5.08351755       2.03257060    
 H   -8.20058155      -5.93091488       1.62294030    
 H   -8.62792969      -4.42155409       1.75361693    
 O   -8.10194588      -7.56777000      0.773861289    
 H   -8.60097027      -8.36739254      0.917218626    
 H   -7.18779373      -7.75171185       1.05768156    
 O   -7.61283541      -1.16053295       2.16627789    
 H   -7.13540792     -0.805973351       1.40757298    
 H   -8.30183792      -1.73524010       1.81113470    
 O   -3.60078692      -2.15599322       5.62293577    
 H   -4.36347103      -2.02771306       5.03353548    
 H   -3.49832296      -1.34610927       6.11666584    
          69
 Energy    -249.39558769936690     
  O     10.66499895     11.12739808    -10.77963479
  H     10.59007721     11.44198570    -11.68787601
  H      9.66126312      7.72902421    -10.34386636
  O     13.69229508     11.11534482    -18.20447112
  H     10.44593343     10.18725107    -10.79523101
  H     13.53987753     11.79954995    -12.25482188
  O     12.35344072      8.12883397    -12.64544677
  H     14.00925027     11.22606152    -19.09649702
  H     12.40381785     12.64248384    -12.85777128
  O     14.62233354     10.21513291    -15.70670477
  H     13.63738113     12.00644276    -17.81146821
  H     17.01532739     11.03364215    -12.43861769
  O     12.88097536     10.73088027     -9.20140968
  H     11.61860144      8.05701344    -12.02414404
  H     16.72371681      9.57042475    -12.89751663
  O     13.46964528     13.46144318    -16.86447018
  H     12.91747150      8.85229396    -12.32395489
  H     16.83491167      8.04301345    -14.96288863
  O     11.97006592      9.72988214    -14.82519823
  H     14.81891329     11.08173787    -15.32017021
  H     15.65796614      9.03700040    -14.85824529
  O     15.15524665      7.21825560     -9.67422731
  H     14.37993923     10.37457824    -16.62791736
  H     13.91446203      7.13257336    -12.52479568
  O     13.96417031     10.16061353    -11.70855770
  H     12.11731218     11.09883398     -9.67312897
  H     15.34562200      7.34049698    -13.04857821
  O     12.50763321      8.02200267     -8.92103893
  H     13.49033479     11.42796688     -8.93893764
  H     16.69054884     13.17099541    -12.18373020
  O     15.48653702     13.61138200    -11.03368176
  H     14.05946900     13.37496638    -16.10358336
  H     18.07381070     13.34728490    -12.85970075
  O     10.42075090      8.22760123    -10.63207868
  H     12.57315430     13.54597117    -16.51746243
  H     10.65785950     12.54356851    -14.30165875
  O     13.31749308     12.69498234    -12.55386296
  H     11.99475552      9.04307525    -14.14540769
  H     11.20553125     11.15467418    -13.93468923
  O     16.76642162     10.15330034    -12.12936843
  H     12.88636350      9.88559012    -15.08774636
  H     15.55262569     12.41290310     -7.74605101
  O     16.25651474      8.47502959    -14.33865266
  H     15.07775832      7.08471032    -10.63477578
  H     15.66382589     11.31470398     -8.83082354
  O     14.83704913      6.88462199    -12.36942162
  H     15.55431670      6.42556685     -9.32347054
  H     15.92182076     12.83578877    -14.21427347
  O     17.27561338     12.82708653    -12.88524488
  H     13.70023750     10.26029256    -10.78292257
  H     14.40154111     12.78580472    -13.95045766
  O     10.84301741     11.96710530    -13.55081851
  H     14.92661413     10.11661687    -11.74993449
  H     10.00030660     13.80473216    -16.46263165
  O     15.24178409     12.16600576     -8.61309206
  H     12.64147331      8.97910419     -8.84348061
  H     10.71532111     12.43385733    -16.51956618
  O     15.06932634     12.73573686    -14.65207818
  H     13.37281529      7.65696935     -9.13825464
  H     15.93916877      8.93208971     -9.37299056
  O     10.69800973     13.29332514    -16.06070606
  H     15.41768005     13.18872043    -10.16868750
  H     16.68763802      9.90907158    -10.29320956
  O     16.35088454      9.80460810     -9.39275093
  H     14.63908201     13.46734437    -11.47671211
  H     11.82741528     10.82977416    -17.70230600
  O     11.00347062     10.83232000    -17.20083984
  H     11.12147139      8.08081780     -9.97008020
  H     11.18682871     10.30872735    -16.40721486
          69
 Energy    -249.39533271231232     
  O     19.48320849     12.06286717    -18.91825831
  H     18.97035146     11.62209567    -18.22778891
  H     21.95951160     16.48701688    -17.28590722
  O     16.92683514     18.26262088    -15.70542219
  H     20.30671649     12.34419458    -18.49356902
  H     13.22649739     12.58032782    -12.96648632
  O     16.09296458     14.64262240    -13.13137493
  H     17.26693795     18.49804574    -14.83303640
  H     14.17101419     12.42170012    -14.18291504
  O     16.15724716     13.46813676    -17.41814672
  H     17.63528213     18.45961111    -16.32987323
  H     19.69253002     16.33655572    -14.57982211
  O     16.46920451     11.04086619    -12.81106482
  H     16.88841837     14.09465861    -13.06076407
  H     19.47858550     17.57919650    -13.66545889
  O     14.43921646     11.85735448    -15.81269570
  H     15.33612152     14.04411038    -13.09505214
  H     18.91986131     12.92299774    -13.59703325
  O     21.59824479     13.00102164    -17.38214016
  H     16.61673938     13.72020407    -18.22691973
  H     18.92834477     13.74227373    -12.28418862
  O     21.46598104     17.78876434    -16.19798670
  H     16.10980335     14.26035106    -16.86188471
  H     16.37890200     10.12524655    -14.29429332
  O     17.30230434     16.64662570    -11.60172742
  H     17.19230623     11.67032702    -12.69177261
  H     16.16344104      8.78452189    -15.03843994
  O     19.73370409     12.81269222    -15.20223982
  H     15.65424471     11.55760123    -12.78754903
  H     19.02106398     19.33425023    -18.24874089
  O     17.87121503     14.06410242    -19.66073670
  H     14.96434305     11.05258281    -15.71734898
  H     19.11636507     17.81044674    -18.00920146
  O     22.08495397     15.78646263    -17.94956668
  H     14.89873951     12.40634173    -16.46048751
  H     18.09073713     19.53119563    -12.66260865
  O     14.13440660     12.67119075    -13.24176490
  H     21.82192792     13.93369221    -17.47648855
  H     17.72397663     18.03087967    -12.55953476
  O     20.09992683     16.87006910    -13.87903426
  H     21.14712243     12.90914305    -16.53332518
  H     20.03818613     15.80740366    -12.42008305
  O     18.40933961     13.11064957    -12.79575971
  H     21.17975263     17.53402609    -15.31203434
  H     20.61475495     15.27626960    -11.08819235
  O     16.25162416      9.72385896    -15.17286414
  H     20.71125340     18.24122723    -16.59522591
  H     17.39685663     10.70626109    -16.23090335
  O     19.08239201     18.67372183    -17.56243910
  H     16.73954641     16.01148519    -12.06622594
  H     17.27594858     12.09965964    -16.90686973
  O     18.08721915     18.71341010    -13.15263824
  H     18.12159344     16.17536365    -11.40801983
  H     17.98824146     15.43400635    -15.78441724
  O     19.83432218     15.26929704    -11.63673047
  H     19.14888069     12.22505248    -15.70300554
  H     19.15014820     15.60638493    -16.79141816
  O     17.89388406     11.38130567    -16.70749409
  H     19.48899002     13.71686764    -15.45342203
  H     18.88079206     15.44267824    -19.00826748
  O     18.94753085     15.36017253    -15.88183713
  H     18.47393021     13.32381482    -19.45695823
  H     20.31760387     15.90876098    -18.55679497
  O     19.37833216     16.13901805    -18.56075551
  H     17.57577848     13.94044591    -20.55883065
  H     16.07689375     15.35486598    -14.79127659
  O     16.20826315     15.62838133    -15.70980897
  H     22.92046746     15.95938350    -18.37629711
  H     16.31747221     16.59112107    -15.73246819
          69
 Energy    -249.39525872401668     
  O     15.92650817      9.84163636    -11.51863544
  H     15.69722263     10.76089884    -11.33622270
  H     12.75984277      8.29941668     -9.73662081
  O     16.03065164      4.53769048     -7.09712441
  H     16.88140686      9.77556412    -11.65659123
  H     12.16022634      7.13351665     -5.93087826
  O     15.30535685     12.42116113    -10.71417984
  H     16.31540921      4.94295827     -7.93583035
  H     13.64881002      7.11552447     -6.35335866
  O     13.36398251      4.68699164     -8.11660091
  H     16.65955275      3.85065143     -6.89405966
  H     18.16005467      6.21243973    -13.45240194
  O     15.11361156      7.68075154    -12.99955940
  H     16.12345356     12.51430867    -10.19108770
  H     17.43045005      5.16737620    -12.59449642
  O     18.60918370      9.23122558    -11.87588395
  H     15.12307354     13.27190532    -11.10292630
  H     16.27822052      5.46769662    -10.27313142
  O     19.80037582     10.92945817     -9.96470433
  H     13.03062493      5.46497587     -7.65344453
  H     16.18992459      6.68445593     -9.31737974
  O     18.93486014      6.82506441    -10.49806766
  H     14.22724562      4.50222940     -7.72717697
  H     15.41987603     11.43623843     -7.29020545
  O     13.10084628      4.49836032    -10.80517300
  H     15.84349013      7.68353759    -13.62930084
  H     16.05203519     12.08368664     -6.03546489
  O     14.04398764     11.31481117     -8.35923118
  H     15.26800295      8.47104459    -12.45955056
  H     18.09228037      8.47664854    -13.48295073
  O     12.78774160      7.31545265    -11.25269847
  H     19.08199052      9.90328034    -11.37025217
  H     18.09612540      8.31163899    -15.01672752
  O     12.92706129      8.78159318     -8.91205199
  H     18.70748696      8.40210198    -11.38239380
  H     15.80053451      8.88345182    -10.01541476
  O     12.73484809      7.07690730     -6.68980740
  H     19.76843902     10.16001851     -9.36590351
  H     14.68988078      8.43731624     -9.04377137
  O     18.31029147      5.48458177    -12.83725410
  H     20.68470992     11.28233788     -9.91215372
  H     18.31367061     11.95094122     -9.41361350
  O     16.58645468      5.80554088     -9.42155103
  H     18.94223527      6.30354071    -11.31383783
  H     17.23494666     12.14188614     -8.30942250
  O     16.25023864     11.53388211     -6.78886576
  H     18.18391204      6.47662268     -9.99831790
  H     15.64416194      6.15147458     -6.17094320
  O     17.72386011      7.95457634    -14.21378385
  H     12.43963973      3.83796133    -10.99473978
  H     16.00428645      7.65530350     -6.13797282
  O     15.63099059      8.33843726     -9.23688985
  H     13.18880213      4.53577424     -9.83607343
  H     14.75848822      4.77756758    -11.62434439
  O     17.51669111     12.44265559     -9.18264323
  H     14.29845113     11.69643817     -9.20738764
  H     15.41375021      6.01250982    -12.28593088
  O     15.32321570      7.01786511     -5.89005261
  H     13.55894207     10.50217216     -8.55490309
  H     18.80856473      8.70508147     -7.87096238
  O     15.60483809      5.13535605    -11.92183801
  H     13.42034195      7.48239742    -11.95989991
  H     19.48433742      7.96599498     -9.06157141
  O     19.57684400      8.71356973     -8.45760652
  H     12.80160012      6.36007123    -11.11571515
  H     16.62945907      8.69425314     -7.82392878
  O     17.14489807      8.88391353     -7.02356582
  H     12.72011512      8.19996054     -8.16931052
  H     16.93084628      9.79727894     -6.79484286
          69
 Energy    -249.39517377182716     
  O     14.62224491      9.74876467    -11.24076575
  H     15.37794946      9.59488972    -10.65667406
  H     17.05598032      6.37953361     -5.89386115
  O     16.67057575      4.99532274    -11.23059919
  H     13.86732036      9.92621380    -10.65989339
  H     13.68355354      8.46083970    -12.10278739
  O     13.93680171      5.63300347    -10.99158877
  H     16.91051840      5.12991035    -12.15963915
  H     12.23600325      7.90836737    -12.21571143
  O     18.67969823      8.21498368    -13.20821695
  H     15.71461482      5.13739778    -11.19693685
  H     17.79135289      6.41097839    -10.80183531
  O     16.29158433      9.45702869    -13.51932041
  H     13.61592009      6.27735123    -11.63347787
  H     18.60183481      7.53316835    -11.50753913
  O     17.70768823      9.25480303     -6.95483878
  H     14.24255318      6.15337382    -10.23082095
  H     16.32354044      6.24806478    -14.14962947
  O     16.33870882      4.59385256     -8.45046979
  H     17.86372281      8.73871899    -13.30444280
  H     17.76192836      6.57699357    -13.72402821
  O     16.68658299      9.06708279     -9.53553506
  H     19.36155345      8.67442700    -13.69032509
  H     13.80231243      5.47439026     -6.00838644
  O     14.95995300      7.00238795     -8.87559427
  H     15.72476306      9.72241295    -12.78377484
  H     13.48101112      5.92308895     -4.56498247
  O     12.74635075      7.84309858     -7.50832264
  H     15.78322917      8.81413584    -14.02931453
  H     12.01069369      3.23403059     -9.98232212
  O     10.86167808      6.49400342     -9.10185476
  H     17.86156044      9.95970853     -6.33202282
  H     12.84753872      4.52657590    -10.12563228
  O     16.51617313      7.16027728     -5.72338792
  H     17.22589933      8.55540552     -6.47668970
  H     12.48625394      9.30365642     -8.76829239
  O     13.13553982      7.79640222    -12.54891545
  H     16.62322132      4.55466014     -9.37222790
  H     11.74403220      9.38038594    -10.11275256
  O     18.36578764      7.17224252    -10.64286570
  H     17.11747577      4.68320840     -7.88597158
  H     18.84208962      5.85738456     -7.13541283
  O     17.13334036      5.84967842    -13.80727152
  H     17.32134970      8.47021468     -9.95768935
  H     19.04411998      4.65073011     -6.18496505
  O     13.82338693      6.23427333     -5.39891351
  H     17.02633341      9.27870776     -8.65653601
  H     13.24648977      4.07397436     -7.90023750
  O     12.24995775      4.04021660     -9.53201569
  H     15.48996927      6.25606445     -8.56755615
  H     14.75282181      4.16878437     -7.59763694
  O     12.41982791      9.81855034     -9.58216311
  H     15.55583544      7.73246359     -9.08329637
  H      9.78826058      8.35198955    -11.41545195
  O     18.37896134      5.15078996     -6.64937294
  H     13.51791980      7.57623556     -8.03363176
  H     10.69988612      7.51387313    -10.48721320
  O     13.87975763      4.18111693     -7.18126225
  H     12.92172559      7.47396046     -6.63672694
  H     19.18763432      7.17868001     -8.97709765
  O     10.70025487      8.14838162    -11.22706886
  H     11.43232299      6.94240444     -8.46214768
  H     18.99004069      7.99832823     -7.68011978
  O     19.42255024      7.21400445     -8.03954689
  H     11.21232450      5.60104388     -9.19623963
  H     14.11636601      7.43112782    -13.98444990
  O     14.78840085      7.30614147    -14.67543195
  H     15.60766618      6.86197909     -5.59766925
  H     14.32142735      7.26160399    -15.50625788
          69
 Energy    -249.39515546587069     
  O     -9.18094135      0.94825326      3.04541090
  H     -9.13119755      1.75997130      2.52367874
  H     -9.81775031      3.42265946      1.33700507
  O     -6.70247673      1.50640431      7.32383813
  H     -9.88469401      1.05262512      3.70401196
  H     -5.35566633     -0.80371065      4.91322739
  O     -8.32073572     -1.78895421      5.87408944
  H     -6.97574606      1.71524108      6.41748385
  H     -6.12352748     -0.95496741      3.58672264
  O     -8.10933687      4.73080246      5.72377146
  H     -7.50960163      1.60320342      7.84781115
  H    -10.91014413      0.60202038      5.71053729
  O    -12.75538412      2.76653530      3.45833589
  H     -7.44607302     -1.61225399      6.24230644
  H    -10.78750260      2.13928370      5.55820916
  O     -7.42678170      2.25638848      4.78393479
  H     -8.21305330     -1.77537738      4.91571442
  H    -11.52150764      5.32652884      2.11911463
  O     -9.28863278      1.72840084      8.27325429
  H     -7.88373074      3.84714130      5.38984605
  H    -10.41518145      6.05526455      2.90281014
  O    -10.53165818      3.66907225      6.50649841
  H     -7.26727064      5.18131059      5.85881310
  H    -12.07142647      3.25469800      1.92718575
  O    -12.52878325      5.11087902      5.09877068
  H    -12.25921215      2.12120475      3.97891906
  H    -12.25747661      3.50117353      0.41144819
  O     -5.92583546      5.83961445      2.82934998
  H    -12.84561674      3.53767190      4.03200924
  H     -8.37167370     -0.60747263      2.98682341
  O     -4.88389896      2.06007547      3.70978971
  H     -8.01537147      1.73021542      4.23339534
  H     -8.15488165     -1.99727573      2.34260677
  O     -8.92009071      3.37728713      1.69183340
  H     -6.54404630      2.21672945      4.39105712
  H     -7.73899048      5.93660821      2.93915816
  O     -5.30377722     -0.61717152      3.96723706
  H     -9.70358909      0.91741175      7.95418455
  H     -8.59103502      5.42392103      4.11162509
  O    -10.98279070      1.32347298      5.07367019
  H     -9.76430622      2.44904193      7.84278294
  H     -9.69141194     -1.06029188      6.63159877
  O    -11.37594808      5.99104191      2.80186262
  H    -11.24387290      4.20793131      6.14004063
  H    -10.97479784     -1.26415417      7.47168191
  O    -11.64621564      3.62512816      1.13245201
  H     -9.70472008      4.13731120      6.32061784
  H     -6.04939833     -0.10582641      7.05319092
  O     -7.88996972     -1.44773572      3.07568075
  H    -12.11896616      5.50789993      4.30934989
  H     -5.14879767     -1.30207223      7.44082026
  O     -8.64452931      5.70409780      3.18759404
  H    -13.19212147      5.72540073      5.40155259
  H     -5.18517123      2.63171140      6.80611701
  O    -10.45624970     -0.60168796      7.02318956
  H     -5.65815589      5.75316060      3.75363622
  H     -4.50490460      2.75304402      5.41744205
  O     -5.75376144     -0.98940153      6.77331107
  H     -5.80458880      4.97517781      2.42185437
  H     -5.86375296      3.28425579      0.52544356
  O     -4.57499364      3.17041783      6.28788178
  H     -4.93171428      1.08984454      3.70184707
  H     -7.08611571      3.23093092      1.46042563
  O     -6.11657949      3.24196451      1.44559393
  H     -5.16550970      2.38689546      2.84721788
  H     -4.94993169      6.32895552      6.14834524
  O     -5.44957833      5.66466691      5.68101001
  H     -8.81908430      4.16505611      2.24709917
  H     -5.07851541      4.80235317      5.93891767
          69
 Ord_Energy   -249.395065    
 O   -2.88429713       1.35437572      -2.13684177    
 H   -3.71300602       1.12909842      -1.70064080    
 H   -2.18841529       1.24416053      -1.46926129    
 O  -0.141066059       2.05737042       3.40531898    
 H  -0.149035051       2.66104722       2.65102267    
 H   -1.06781197       1.89190078       3.61728358    
 O   -5.01716518      0.496545613     -0.496323377    
 H   -5.93269587      0.316324741     -0.694962919    
 H   -4.58211279     -0.365318447     -0.380603552    
 O   -2.89356136       1.43244946       3.65524030    
 H   -3.33231997       1.83449376       2.88260865    
 H   -3.51536250       1.46771431       4.37664175    
 O   0.731499434      0.465616494      -4.05167294    
 H    1.09135020      0.412591100      -4.93332195    
 H  -0.194168061      0.167615056      -4.11001539    
 O    6.71169022E-03  -2.24775457       2.21966791    
 H   0.475347936      -2.64678121       1.46936071    
 H   0.602100253      -1.58267033       2.58553481    
 O    1.23201716      -3.36534929       1.76821109E-02
 H   0.641204059      -4.03212404     -0.353083193    
 H    1.34731615      -2.70398235     -0.677093863    
 O   -1.80124176       3.90070605      -2.41514921    
 H   -2.27861977       3.06112885      -2.47827125    
 H   -2.12087727       4.30094147      -1.59983528    
 O   -2.65284967       4.67512035      0.265564293    
 H   -1.78109527       4.37670803      0.576665521    
 H   -2.75886583       5.57378912      0.568835974    
 O  -0.294347405       3.48040962      0.972964406    
 H  -0.640641749       2.66267323      0.579982400    
 H   0.583847880       3.60212040      0.592317939    
 O   -4.02803564       2.42852950       1.41402066    
 H   -4.39087725       1.82587171      0.754506588    
 H   -3.66518807       3.18781567      0.942578137    
 O   -1.46740317      -2.34656262      -1.92714584    
 H  -0.612418950      -1.91081381      -1.80312920    
 H   -1.31792212      -3.28547931      -1.76241386    
 O   -2.11528182     -0.564335048       1.86133862    
 H   -1.36806595      -1.13612485       2.08952403    
 H   -2.34898543      -9.36316978E-03   2.61321521    
 O   -1.81577110     -0.439605594      -3.97258139    
 H   -1.80170095      -1.22744226      -3.41353869    
 H   -2.28277707      0.229767099      -3.45222473    
 O  -0.935694635      -4.95968771     -0.966125548    
 H   -1.40715599      -4.73903847     -0.142943695    
 H   -1.10797274      -5.87960339      -1.14553893    
 O    1.12738991      -1.20531619      -1.80019772    
 H    1.45763004     -0.609950483      -1.11151099    
 H    1.10301542     -0.687264204      -2.61380506    
 O   -3.52433658      -1.78005326     -0.102211893    
 H   -3.07070994      -1.33901513      0.635077119    
 H   -2.85908961      -1.92736113     -0.790380895    
 O   -1.02735186       1.04058576     -0.106052533    
 H   -1.43436158      0.509047925      0.591673970    
 H   -9.37834233E-02  0.798149884     -0.136269465    
 O   0.805766523       2.94912481      -2.60549927    
 H   0.769157052       2.13929939      -3.12570500    
 H   -8.39890763E-02   3.33169031      -2.60011005    
 O    1.74187136      0.574056506      0.191948727    
 H    2.02383184       1.48925018       6.55037910E-02
 H    1.77803004      0.373265713       1.13529718    
 O    2.17662096       3.29819608     -0.355791479    
 H    1.71842563       3.20334601      -1.21439910    
 H    2.94084048       3.84588528     -0.507782519    
 O   -2.17033601      -4.00149202       1.26844931    
 H   -2.79216671      -3.35666323      0.909997940    
 H   -1.50789106      -3.49759722       1.75653040    
 O    1.57298112       1.13673899E-02   2.95964646    
 H    2.27156210       3.61612402E-02   3.60853028    
 H   0.962585092      0.739465356       3.17473102    
          69
 Energy    -249.39499331474795     
  O     14.10275543      2.99411423    -10.88255978
  H     14.22402548      2.08170231    -10.59236958
  H     14.72239198     10.50605641    -10.19594224
  O     12.25201485      2.99322451    -12.97961724
  H     13.47605700      2.96317611    -11.62064172
  H     14.08751378      7.20345439    -12.81714875
  O     16.65877832      3.42278452    -12.00237760
  H     11.60564293      3.64029617    -12.67351434
  H     13.97197805      6.05276746    -11.78283150
  O     11.38080969      7.10783073    -13.92334066
  H     12.80186342      3.45360287    -13.63222077
  H     12.15753832      5.41292896    -10.81158626
  O     13.36190846      0.39699198    -13.18167670
  H     16.95826645      4.33682954    -11.95568193
  H     13.38548346      4.57980119    -10.33934772
  O     14.55825541      0.24561156    -10.56196441
  H     15.79297220      3.37842272    -11.57263424
  H     15.68848631     -0.43922069    -15.19323104
  O     16.74592571      9.15512250    -12.24557202
  H     11.74155981      6.86585538    -14.78445665
  H     14.81588871      0.31994348    -14.16543116
  O     13.93640369      4.45601233    -14.56855852
  H     11.93388765      7.83170418    -13.59935565
  H      9.83115547      5.31923175    -11.85670119
  O     15.40529086      9.83345027    -14.65690912
  H     13.62769111      0.24098239    -12.26690335
  H     10.95569772      5.90174391    -12.74287458
  O     15.30694398      7.57203110    -16.04867901
  H     12.83229801      1.20472077    -13.17318621
  H     16.18839909      6.30178865    -12.34710943
  O     17.15231939      5.76303003    -15.04204557
  H     15.42789358      0.29085950    -10.99936131
  H     17.30112945      6.32334571    -11.24896611
  O     14.62824984      9.65569252    -10.61757288
  H     14.62617373     -0.41297172     -9.87657971
  H     16.47308794      3.16438371    -13.78040578
  O     14.42640401      6.32875891    -12.58957856
  H     16.42272814      9.39047023    -13.12561807
  H     16.14446407      2.10632517    -14.85578551
  O     13.00100541      5.46893911    -10.34514568
  H     17.06368519      8.24777212    -12.29828030
  H     16.99711762      1.55210906    -11.92989625
  O     15.68554713      0.30998631    -14.60366587
  H     14.14573344      5.13109486    -13.90464149
  H     16.61214545      0.41628715    -12.89830559
  O     10.75650101      5.22750441    -12.06839014
  H     14.74313616      3.95061595    -14.73304836
  H     13.15062497      5.48470471    -15.74808147
  O     17.14823416      6.25327996    -12.20559393
  H     15.40481167      9.03424321    -15.21683455
  H     12.44194515      5.81689944    -17.08326910
  O     16.29785780      3.04985540    -14.72725563
  H     15.56530826     10.57469388    -15.23361312
  H     14.61037208      8.10714251     -9.52566355
  O     16.84795784      0.59814411    -11.98001420
  H     15.95088084      6.90420817    -15.76852079
  H     14.03598786      6.67950958     -9.36927427
  O     12.76275413      6.20643212    -16.27360647
  H     14.46910763      7.12645807    -16.20772410
  H     16.37163684      6.69439426     -9.26218671
  O     14.72049736      7.27821301     -9.04359957
  H     17.00645166      4.81123965    -15.10026759
  H     17.75368700      6.31664839     -8.69475845
  O     17.26152083      6.38849411     -9.50743540
  H     17.35095929      5.94512029    -14.11546737
  H     13.60551574      9.20708853    -12.12722151
  O     13.33982307      8.89512425    -13.00223585
  H     15.44509492      9.50263635    -11.12710210
  H     13.95150142      9.30062735    -13.63188323
          69
 Energy    -249.39481494702883     
  O     17.84854786     11.24698802    -13.53067704
  H     17.94401831     10.84648893    -12.65641591
  H     13.56611766     11.62631672    -10.77564654
  O     14.96982102      6.12080548    -11.98798203
  H     17.08381111     11.83186269    -13.47222060
  H     14.95124390      8.93437069    -10.82731400
  O     11.85758831      9.38216737    -13.32810386
  H     14.01845631      6.29442994    -11.98718906
  H     15.25995140      7.92432194    -11.94011312
  O     18.96565985      7.34129423    -11.11732212
  H     15.23860543      5.97407911    -12.90487622
  H     18.05471914     10.03336019    -14.75897268
  O     13.17385973      7.29462059    -16.93144351
  H     11.43060278      8.91202848    -14.05948875
  H     18.84755843      9.56573194    -16.00196255
  O     15.72267006      5.97682689    -14.64384847
  H     12.69970812      9.72690487    -13.65814851
  H     10.64959364      4.64404277    -13.55634532
  O     14.38870624     10.23360748    -13.94928501
  H     19.81506654      6.92723363    -10.99191998
  H     11.67392495      5.73161587    -13.16995253
  O     13.45529864      4.67106689    -15.69293611
  H     18.70707975      7.17440460    -12.04221369
  H     18.25981855      7.77728142    -14.27590964
  O     14.91157588      8.65412831     -8.95775898
  H     13.31593596      6.37892991    -16.66536378
  H     17.44678580      6.49522641    -14.01165842
  O     16.56111458      6.57736525     -9.70302238
  H     13.98278137      7.76568758    -16.69340499
  H     11.07952917     11.21723429    -10.80564606
  O     12.25175133      8.17826434     -9.59989067
  H     15.04347915      5.41294702    -15.03239989
  H     11.80317349     10.27054912    -11.78556670
  O     14.38839999     12.12966394    -10.82003703
  H     15.61218887      6.85210267    -15.04498559
  H     12.19351845      7.73380832    -12.53039439
  O     15.23677500      8.87110111    -11.74787891
  H     14.70182862      9.77569030    -13.15164713
  H     12.21387913      7.18935978    -11.09121308
  O     18.15789698      9.30512111    -15.39727208
  H     14.68310791     11.14779557    -13.87115509
  H     10.89627554      6.84810687    -14.92984786
  O     11.37229934      5.16361723    -13.89988636
  H     12.72522644      4.79418726    -15.06555796
  H     11.67597780      7.68072202    -15.95828868
  O     18.19484602      7.01269596    -13.69036175
  H     13.30226162      3.83786213    -16.13242807
  H     16.98775560     10.71177457     -9.71039193
  O     11.88211866     10.71350126    -10.92352010
  H     15.42006149      9.44609053     -8.75350183
  H     16.94191832     11.57547482     -8.42817122
  O     12.28406351      6.91842198    -12.01871600
  H     15.53456624      7.92010836     -9.08465097
  H     15.04169341      9.13419256    -15.20643053
  O     10.96452504      7.73260360    -15.30159178
  H     16.02231976      6.23574188    -10.43073599
  H     16.40876833      8.77503250    -15.82199067
  O     16.39590805     11.07756989     -9.03127119
  H     17.41943568      6.78044146    -10.09191596
  H     15.06389620     12.57626645    -12.35390166
  O     15.48376056      8.50229439    -15.79213663
  H     13.13496833      8.26174748     -9.21347239
  H     15.22549211     13.64428241    -13.46267835
  O     15.42718690     12.73879174    -13.24358011
  H     12.03678615      9.06135013     -9.92399790
  H     16.88588033      9.51374873    -11.40844113
  O     17.74100237      9.84856328    -11.09433160
  H     14.97216496     11.79894943    -10.12803802
  H     18.30882007      9.07187622    -11.01556475
          69
 Energy    -249.39465615696835     
  O     14.14258000     13.83945326     -9.20043366
  H     13.67083744     14.66833933     -9.18433878
  H     14.94808257      9.07840988     -6.88752313
  O     19.76898038      7.18158367     -6.67488865
  H     14.48027792     13.69334605     -8.29867097
  H     15.50901558     11.11184588    -14.53103040
  O     17.77726812      5.32581944     -6.62193218
  H     19.54541030      7.77352207     -5.94587373
  H     16.08563550     11.04433588    -13.09968376
  O     12.55594807      8.73984029     -8.72009024
  H     19.58160227      7.68106904     -7.48138903
  H     18.45526178      9.01415715    -12.06984920
  O     17.21343552     11.57071304    -11.83493030
  H     18.57074702      5.89064816     -6.62900371
  H     19.95578776      9.36415205    -11.92336520
  O     18.17129972     13.38645727     -7.41091033
  H     18.07578579      4.42716951     -6.51515737
  H     17.36364986     13.49853028     -9.13774976
  O     17.14590444      8.34593966    -12.99412955
  H     12.51858406      8.21459112     -9.52798058
  H     15.97650591     13.66904863     -9.79779200
  O     16.46262556      6.97256538     -8.48091013
  H     12.59448187      9.65811658     -9.01484956
  H     18.79942384      9.05298890     -3.79111033
  O     15.80496310     10.58047248     -7.31490493
  H     18.00542104     11.04152263    -11.68411401
  H     17.79681366      8.41407541     -4.77892155
  O     13.18584611     11.26291164     -9.98571714
  H     17.20281963     12.32230002    -11.22111827
  H     12.77362968      8.30478937    -11.77120222
  O     15.33934745     13.27933502     -6.83107637
  H     18.38705530     12.45940275     -7.21719080
  H     12.05389192      6.93414972    -11.72630270
  O     14.54471295      8.19691765     -6.88178196
  H     18.91453067     13.90606304     -7.11451229
  H     16.21166505     10.58153882    -10.63331105
  O     15.49304729     10.59669392    -13.72780306
  H     16.57915428      9.00417287    -13.41241154
  H     15.59200122      9.17247089    -10.38791716
  O     19.10463158      9.47551042    -11.50744874
  H     16.57927476      7.88297160    -12.35851542
  H     18.68372283     10.06690446     -7.62236300
  O     16.90906804     13.51053238     -9.98830530
  H     16.86960233      6.28508635     -7.94086480
  H     18.64136279     10.19587010     -6.07437482
  O     18.60663432      8.95263302     -4.71943202
  H     15.77060250      7.38239981     -7.94101825
  H     18.84358739      8.94072189     -9.73190048
  O     12.72274787      7.45663280    -11.29271583
  H     16.74096433     10.60609521     -7.08254819
  H     17.88716801      8.17146225     -8.76737984
  O     15.67229850     10.06314381    -10.02473802
  H     15.76451374     10.42174303     -8.27019314
  H     15.79754098      7.08693782    -10.14102291
  O     18.57258566     10.69920730     -6.89664207
  H     14.05039510     10.82328008    -10.00588182
  H     14.54380083      7.28818993    -11.06938637
  O     18.69439538      8.70279883     -8.80949261
  H     13.36828126     12.17563347     -9.73707437
  H     16.80487553      6.52811504     -5.44174787
  O     15.49817568      7.41756985    -10.99981917
  H     15.32772056     12.31260696     -6.89296691
  H     15.67608629      7.57706986     -5.51406003
  O     16.45839032      7.31782141     -5.00894074
  H     16.27435462     13.51003069     -6.87927475
  H     13.82674623     10.12944428    -12.90138009
  O     13.01770872      9.89179228    -12.43333451
  H     13.75314159      8.27441720     -7.43306150
  H     12.94690762     10.49403445    -11.67954658
          69
 Energy    -249.39463367835668     
  O     13.40388045     11.84663091    -13.66112178
  H     14.24945964     12.29937325    -13.76468863
  H     13.18954884      6.61756644    -16.12100567
  O     15.04647501      6.09852321    -13.88352583
  H     13.35303081     11.23198619    -14.40710656
  H     20.09081903      5.41407077    -14.94429465
  O     18.31120704      8.32502479    -11.55043998
  H     14.69648933      5.92474076    -14.77084002
  H     19.72622908      6.82014698    -14.40191227
  O     19.40219211     10.00899616    -15.98282904
  H     14.33130699      6.47637428    -13.35529199
  H     16.53776858     11.18702810    -16.85412050
  O     11.89512051      7.62724594    -15.03315274
  H     18.04911490      8.31138023    -10.62161506
  H     16.80588802     12.01290190    -15.56070270
  O     14.55820845      8.72985816     -9.33942440
  H     17.99797900      7.49210389    -11.93344988
  H     15.63453371      7.72028973    -14.45363944
  O     13.02783316      7.45374559    -12.50645965
  H     18.63222633     10.60244787    -16.06017921
  H     16.62756988      8.36748094    -15.44485892
  O     16.72125337     10.21411441    -12.77593960
  H     20.11739334     10.43162785    -16.45111495
  H     16.71531430      5.55829820    -10.96956729
  O     15.72486462      7.49422316    -18.20012571
  H     10.94507241      7.53991699    -15.02079306
  H     16.64092636      6.36912553     -9.66137158
  O     13.55909351      6.12982615    -10.10536345
  H     12.19486877      7.53802813    -14.11322314
  H     19.60543868      8.51413200    -12.93013890
  O     17.95686018      7.69434018    -16.57928935
  H     14.33086231      9.27032937    -10.10837101
  H     19.85856889      9.05795333    -14.36964213
  O     13.95584300      6.09109598    -16.37962493
  H     14.10306699      7.88943384     -9.46889909
  H     18.12765568      5.76640374    -13.36000628
  O     19.35774586      6.00366066    -14.78867617
  H     13.06965476      6.94971802    -11.68346226
  H     16.60661724      5.88370466    -13.09810626
  O     17.23416878     11.53269247    -16.27720325
  H     13.37195524      8.33793037    -12.30917105
  H     16.25458005      8.40329592     -9.07800784
  O     15.94020106      8.56871961    -14.80006229
  H     16.47023243      9.68830422    -13.55204404
  H     17.45124825      8.30009920     -8.10267735
  O     16.23154071      5.63603750    -10.13722390
  H     17.33197882      9.66419695    -12.27037191
  H     14.50130712     10.29382600    -17.16111969
  O     20.11235407      8.37155731    -13.73998472
  H     15.91911713      7.11182204    -19.05321914
  H     15.37535023      9.41411368    -18.05728394
  O     17.47318243      5.88212044    -12.66229072
  H     16.56111685      7.50665905    -17.70618536
  H     15.04214616      9.97640804    -12.05024330
  O     17.17672822      8.10073171     -8.99358577
  H     14.49900435      5.87588616    -10.14095686
  H     13.68609706     10.63063832    -12.34490173
  O     15.23309511     10.32969300    -17.79246188
  H     13.11779749      5.47283942     -9.57373162
  H     16.56933331     13.39886501    -13.40506103
  O     14.10218196      9.92350492    -11.83177964
  H     18.50872335      8.48485341    -16.49841002
  H     16.43113175     11.85950280    -13.40282158
  O     16.16621775     12.67007124    -13.87086292
  H     18.37727976      7.00544016    -16.04912551
  H     14.40367829      9.42577146    -15.34640082
  O     13.56318222      9.83065066    -15.60931601
  H     14.45377484      6.60878367    -17.02387945
  H     12.88991568      9.14926738    -15.50187465
          69
 Ord_Energy   -249.394470    
 O   0.647279084      -3.22878599      0.490727186    
 H    1.51288939      -2.89364100      0.229311466    
 H    7.62961991E-03  -2.80483246     -0.102449737    
 O    2.49023795     -0.477068067       2.22785044    
 H    2.76118588     -0.964060903       1.43827856    
 H    1.82353997      -1.02142930       2.66400599    
 O   -3.87964916     -0.537516773       2.18512511    
 H   -2.97929573     -0.277842224       2.42949295    
 H   -4.03577137      -1.39336085       2.61085057    
 O   0.265302956      -2.08290958       3.01449680    
 H  -0.234791547      -2.71995926       3.53859806    
 H   0.383473068      -2.48458362       2.14039636    
 O    1.98537147       2.94020271      -1.15235174    
 H    2.69794512       3.56530809      -1.25815058    
 H    1.98660934       2.66741133     -0.217710823    
 O   -4.13490486      0.448288620      -1.74047971    
 H   -4.18187237       1.05109417     -0.989187002    
 H   -3.49236321      0.816653132      -2.35882831    
 O   -3.92629051      -3.11568141       3.11205649    
 H   -3.97112656      -3.66867256       2.32252264    
 H   -3.12190866      -3.38781786       3.57035208    
 O   -4.34401798       1.82269740      0.818902433    
 H   -5.21511269       2.17032599       1.00029469    
 H   -4.26509285       1.00459170       1.33632910    
 O   -2.05901670       3.55151916      0.805502713    
 H   -2.84817553       2.99683857      0.858986616    
 H   -1.54545891       3.37799263       1.60265815    
 O  -0.815302551       2.94339585      -1.53819501    
 H   -1.23487020       3.31167603     -0.744403958    
 H   0.139747471       3.06856251      -1.47408020    
 O  -0.447748721      0.634794891       6.67440891E-02
 H  -0.720914483       1.34769344     -0.522187471    
 H   0.406708121      0.905451715      0.425574809    
 O   -2.14101911       1.55524969      -3.45415521    
 H   -1.66902125       2.13151979      -2.82802200    
 H   -2.31685686       2.07932854      -4.23182917    
 O    3.00166774      -1.82739997     -0.220685616    
 H    2.73603487      -1.13397491     -0.851504147    
 H    3.82882261      -2.18002057     -0.538324118    
 O   -1.16509688      -5.09092045       1.59970987    
 H   -1.99718428      -4.92904949       1.13737988    
 H  -0.481862128      -4.59216547       1.13203502    
 O    1.70995140       1.96541774       1.36535740    
 H    1.07903647       2.33185840       1.99581826    
 H    2.08033562       1.15392053       1.74785900    
 O    2.23918915      0.127549961      -1.93233275    
 H    1.46956646      -7.42770284E-02  -2.48583722    
 H    2.22069573       1.07652485      -1.77945602    
 O   -3.74351859      -4.43737745      0.543802500    
 H   -4.36532164      -4.99504519       8.27037916E-02
 H   -3.80175185      -3.55866790      0.132521495    
 O  -0.444262236       2.73784399       3.06759644    
 H  -0.469229490       3.03721833       3.97296023    
 H  -0.772397518       1.82207227       3.06405139    
 O   -3.79352474      -1.84069014     -0.318108201    
 H   -3.81533504      -1.42750108      0.555714905    
 H   -3.99876118      -1.13581812     -0.950621307    
 O   -1.39595973      -4.08259630       4.09857321    
 H   -1.29717350      -4.53379297       3.23921037    
 H   -1.27042758      -4.74457502       4.77313805    
 O   -9.36783180E-02 -0.483503997      -3.31105018    
 H  -0.784950316      0.166090935      -3.48083329    
 H  -0.476033747      -1.10476661      -2.67662048    
 O   -1.26255178      0.169349670       2.62621975    
 H  -0.745483458     -0.611668527       2.86742926    
 H   -1.08690822      0.331934243       1.68581617    
 O   -1.09471571      -1.79954314      -1.03717673    
 H   -2.03659320      -1.88509285     -0.848170757    
 H  -0.822148860     -0.939874351     -0.679292142    
          69
 Energy    -249.39424582547272     
  O     16.39354362     10.64157115    -16.86735037
  H     15.48991013     10.77636293    -16.55770490
  H     17.61664825      4.92017525    -10.85623476
  O     14.95957533      5.68491262    -13.05004090
  H     16.34243585     10.06486754    -17.64136342
  H     21.19135710      9.75515872    -16.88445926
  O     17.52484654     13.35974524    -11.10430138
  H     15.77667249      5.45311115    -12.59229065
  H     19.84890890     10.26415394    -16.30406484
  O     19.62491895      8.27738736    -14.10356453
  H     15.17752808      5.70763773    -13.99252152
  H     16.86542386      9.31798407    -15.53804227
  O     14.13936716      8.11036368    -17.00576359
  H     16.65374717     13.03664096    -10.84012227
  H     17.87356218      8.51340690    -14.64981020
  O     16.79339831     10.29975907     -9.18044226
  H     18.16027978     12.88751439    -10.55173520
  H     12.95625686     10.92056359    -16.21217567
  O     15.24246706      8.38856613    -12.75531427
  H     20.03644168      8.69209492    -14.87291990
  H     13.81931116      9.64086973    -16.18704118
  O     17.52541114     11.83089196    -13.38585571
  H     19.63818571      8.90478198    -13.36800941
  H     16.53735245      8.26331045    -11.53382945
  O     19.03725064      5.57106291    -14.01893166
  H     14.74711189      8.26185785    -17.74076132
  H     18.00317807      8.73965022    -11.33585240
  O     18.25863821      5.16160997    -16.56329106
  H     14.50208792      7.34332782    -16.54417977
  H     18.34903752     11.08789534     -9.35335789
  O     15.77547958      6.22259703    -15.70831666
  H     16.11189622     10.81363198     -9.63140038
  H     19.70171778     11.62932571     -8.82916134
  O     17.48300981      5.46520744    -11.62821716
  H     16.87116708      9.46511361     -9.66036575
  H     19.35725034     10.51716915    -11.21807337
  O     20.36613727      9.46261110    -16.50736416
  H     14.94085524      7.46978633    -12.78261977
  H     18.57138498     10.62781986    -12.54370029
  O     16.94177654      8.62013641    -14.87809904
  H     15.84282512      8.50052535    -13.51090426
  H     14.85612692     11.71919353    -11.56489669
  O     13.75811049     10.55278305    -15.84886267
  H     16.60422988     11.55144606    -13.44091443
  H     14.17843631     12.36148570    -10.33718854
  O     17.32312472      8.15407345    -10.97629114
  H     17.57542244     12.49997095    -12.68674693
  H     18.51534668      6.82210006    -17.42742269
  O     19.18036383     11.52128762     -9.61972253
  H     19.34913350      6.48723758    -13.99658299
  H     19.19300500      8.22310256    -17.42750946
  O     19.14010843     10.03746118    -12.02622037
  H     18.52466981      5.44422147    -13.21262492
  H     14.84418902     10.07812787    -12.95255125
  O     15.00976214     12.01489400    -10.65313569
  H     18.57128282      4.31679544    -16.87474868
  H     14.35909027     10.98626680    -14.09487814
  O     18.53420991      7.67852705    -17.87285589
  H     18.56331300      5.25117435    -15.64146721
  H     18.48962770     11.75858916    -14.98492081
  O     14.77579487     11.00754223    -13.22611703
  H     16.48468109      5.70043805    -16.09958125
  H     17.97445576     11.36998559    -16.36922893
  O     18.78979816     11.54756349    -15.87822422
  H     16.19746685      7.05365199    -15.44059341
  H     16.28663761      8.69484599    -19.81883200
  O     16.24361456      8.70073680    -18.86675454
  H     17.48705227      6.38595122    -11.31924446
  H     17.06699999      8.28891381    -18.54606138
          69
 Energy    -249.39400406284744     
  O     12.84383301     13.27691338    -14.08775128
  H     12.53103689     12.44929167    -14.47346494
  H     17.71345428     11.39827643    -15.83521055
  O     18.05462402      6.99887839    -14.62212173
  H     13.41111670     13.67744298    -14.75735333
  H     14.92278920      8.63808611    -17.77597279
  O     19.54435123     11.50053723    -12.78159394
  H     17.43001940      6.50436250    -14.07860519
  H     13.39293027      8.64544511    -17.68778224
  O     16.82631788     14.25624515    -14.43647458
  H     17.54998364      7.31311033    -15.38390347
  H     16.97005291     10.14538474    -12.96145205
  O     16.05634330      5.99872564    -12.75870770
  H     19.31082212     10.56146973    -12.80220304
  H     16.27790944     11.54266112    -12.76581233
  O     16.48148648      9.93800491     -9.86700553
  H     19.22251615     11.81852479    -11.93058124
  H     13.22216014     11.04363142    -15.95288131
  O     13.54632659     13.50772144    -11.48328255
  H     17.57519165     13.76656080    -14.79854674
  H     12.22407658      9.90288861    -15.67052951
  O     12.24886089      8.05270841    -16.20311837
  H     16.11960553     14.22446182    -15.09200113
  H     18.11945872      8.48750335    -11.95875746
  O     17.15032833      7.48010250    -10.65008449
  H     15.96218141      5.10247025    -12.44366196
  H     18.39058134      8.33817522    -13.47437975
  O     16.23242333      8.19485506    -16.43213927
  H     16.37390453      6.52364489    -12.00671054
  H     14.60758295     10.07273179    -13.08675983
  O     14.31018634      7.44436826    -14.45236308
  H     15.58449480     10.27231042    -10.01618879
  H     13.21420152     10.14972947    -13.76587365
  O     16.91841990     10.85441025    -15.85947889
  H     17.08260436     10.68447967     -9.95898024
  H     15.35491957     13.39169280    -11.76445367
  O     14.13205285      9.02277387    -18.17876613
  H     13.25020130     13.42273542    -12.40730034
  H     16.47486284     13.68628521    -12.82272699
  O     16.22705984     10.70000136    -13.23402560
  H     13.01390646     14.19275305    -11.08802627
  H     19.85337507     12.84942499    -15.62084895
  O     12.51015025     10.76905730    -15.35713134
  H     12.93725500      7.71339773    -15.60717685
  H     19.24569860     12.22974216    -14.34223257
  O     18.39135797      8.97454012    -12.74402306
  H     11.55802545      7.39518551    -16.22512486
  H     17.50017311     12.68360880    -10.88398445
  O     13.70532744      9.71325227    -13.05797618
  H     16.83737679      8.34845159    -10.33354225
  H     18.45220320     12.84948484     -9.67643437
  O     16.27875285     13.22929815    -11.98983790
  H     17.63775291      7.09210612     -9.92772973
  H     14.37180200     10.75041547    -17.67071552
  O     19.02745834     12.59303139    -15.21955641
  H     16.54776441      9.09628428    -16.27238742
  H     15.43871992     11.34027726    -16.71759642
  O     18.18104826     12.23335666    -10.35239588
  H     15.57535411      7.99555950    -15.75032069
  H     13.69495299     10.33931090    -11.28364141
  O     14.57909690     11.52325988    -17.12642301
  H     14.07636982      8.19987760    -13.89045345
  H     13.73991639     11.75551662    -10.70392510
  O     13.93270299     10.83578222    -10.48904032
  H     14.83926665      6.85488762    -13.90331866
  H     14.35831640     14.74086959    -16.89212557
  O     14.57887778     14.10065958    -16.21969873
  H     16.60467191     10.81550378    -14.94235035
  H     14.55031028     13.22790469    -16.64690912
          69
 Energy    -249.39390333393055     
  O     14.48133922      2.74192284    -10.56451701
  H     14.69124600      1.81212566    -10.41247654
  H     17.08877743      6.08775111    -15.29597796
  O     12.18355759      2.83267700    -12.14324336
  H     13.68666055      2.74901003    -11.11900260
  H     15.25409714      9.81432511    -10.99161342
  O     16.64345609      3.22619784    -12.31479864
  H     11.61569062      3.41960897    -11.63167582
  H     14.06234985     10.62579484    -10.42748978
  O     18.62218485      6.51895607    -14.28307380
  H     12.54232207      3.37066285    -12.86657441
  H     14.25107048      6.97477585    -12.44367455
  O     11.35759147      6.37599094    -13.09559084
  H     17.05674356      4.07670351    -12.12231597
  H     14.33737858      5.89035570    -11.33141146
  O     13.21886710      0.32452272    -12.90118560
  H     15.90392555      3.12816304    -11.69913337
  H     12.67104972      5.21835612     -9.99877304
  O     15.05679015     -0.01117982    -10.69928735
  H     18.26535482      6.26497338    -13.41425498
  H     13.97484099      4.38416599     -9.84514305
  O     17.36618857      9.07428884    -13.95202843
  H     19.52060484      6.20191025    -14.31825874
  H     14.84095245     -0.15675562    -15.59879279
  O     16.92886282      9.68584181    -11.29892608
  H     11.86863835      5.74899284    -13.62365479
  H     14.32486249      0.42495810    -14.26231332
  O     13.32552166      4.52611741    -13.97455455
  H     11.88724641      7.18491837    -13.07267182
  H     10.10951854      5.17776121    -10.41737538
  O     14.92518840      8.32727457    -15.27851835
  H     13.72075744      0.09718013    -12.10899696
  H     11.04481985      5.56135332    -11.59017092
  O     16.19722615      5.95383526    -15.64232641
  H     12.70249483      1.10848298    -12.67242426
  H     16.46712883      6.02629273    -12.09844778
  O     14.29761704      9.78082891    -10.80147550
  H     15.76172809      0.07160198    -11.36677397
  H     17.61919959      6.34457548    -11.11092035
  O     14.69913556      6.15852545    -12.18651654
  H     15.28727906     -0.75041471    -10.14370528
  H     15.99923730      3.29086180    -14.04031946
  O     13.60783275      5.27591965     -9.76841362
  H     16.54142105      8.92981549    -14.43069381
  H     15.42346306      2.32940229    -15.09975090
  O     15.02784616      0.49898777    -14.93236813
  H     17.90833508      8.29678092    -14.13002430
  H     16.97737813      1.41018315    -12.57009211
  O     10.97801771      5.02469450    -10.77916275
  H     17.33649113      8.98368983    -10.78132591
  H     16.37148131      0.37082223    -13.52917721
  O     17.40947765      5.86971476    -11.92437532
  H     17.14379382      9.51533378    -12.22845987
  H     14.63985634      8.29408437     -9.56783927
  O     15.60492115      3.26065635    -14.92473481
  H     13.83099823      5.09727787    -13.37630806
  H     14.47847983      6.80867297     -9.14680483
  O     16.84577334      0.45916448    -12.69337186
  H     13.99025214      4.04427060    -14.48085832
  H     16.73312006      7.46398120     -9.34953321
  O     15.02412567      7.59635720     -9.02368361
  H     15.30187393      7.44016239    -15.42038837
  H     18.19551079      7.49397230     -8.84579519
  O     17.66446658      7.43077822     -9.63484943
  H     14.71183001      8.67043969    -16.14289689
  H     13.60513214      8.99434806    -12.31222977
  O     13.28884484      8.40413110    -13.00923338
  H     16.00258229      5.01579718    -15.53165317
  H     13.83796407      8.51553021    -13.79787057
          69
 Energy    -249.39367178652313     
  O     -2.01593496      1.27060881     -0.88482994
  H     -1.47919858      2.04058814     -1.10187654
  H     -1.79733476      3.60556913      4.43328263
  O     -0.24073962      3.49342215     -1.24157191
  H     -1.40842082      0.51732442     -0.87742278
  H     -0.27753648     -0.01421253      4.03769534
  O      4.82329772      0.82331859      1.78490726
  H      0.65493369      3.11486293     -1.28987183
  H     -0.99336914      0.64110439      5.23640355
  O      1.17531535      1.17385238      1.13800109
  H     -0.29399263      4.15798339     -1.92343124
  H      1.45073487      0.30095043      2.65588737
  O     -3.75061683      1.06683408      1.16699841
  H      4.72007375      1.54704816      1.15632318
  H      1.78019054      0.49963926      4.15758242
  O     -2.27049174      2.40955181      3.11146569
  H      4.50759627      0.02323766      1.34887582
  H      4.52677127     -2.24426243      0.34618024
  O     -0.08197927     -0.70294496     -0.53064636
  H      1.71268590      1.46726712      0.39344431
  H      3.18342908     -1.89152520      1.02192676
  O     -2.51168115     -1.23221705      2.42126199
  H      0.63812833      1.93947970      1.38034965
  H      5.68971376      1.79971091      4.64786713
  O      2.25423857      2.37710999     -1.20454095
  H     -4.64250943      1.05436196      0.83073681
  H      4.83631191      1.46099886      3.40219444
  O      4.43286528      3.25710003      0.28315216
  H     -3.15978710      1.15079896      0.39638617
  H      0.41295782      4.37994577      4.39875429
  O     -0.79432556     -2.86499926      1.11315276
  H     -1.85978295      1.64730165      3.54875169
  H      0.76548893      4.02838773      2.95227338
  O     -1.37994713      4.13577087      5.13143689
  H     -2.90845333      2.04674955      2.48417282
  H      3.15550060      1.94019220      5.00700938
  O     -1.15209784      0.21763082      4.38131423
  H      0.31499162     -0.12241241      0.13614959
  H      1.86517037      2.73533026      4.69384813
  O      1.45330267     -0.14463809      3.51743193
  H     -0.33192573     -1.51452693     -0.07276526
  H     -0.68519949      2.64506026      6.21393117
  O      3.90561572     -1.53190490      0.47643812
  H     -2.99743575     -0.53031998      1.97449875
  H      0.60751543      1.81017431      6.23105186
  O      4.84042379      1.95337437      4.24326503
  H     -2.12590698     -0.82803140      3.21084149
  H      3.02906903     -0.73524992     -0.99112870
  O      1.16326719      4.21353694      3.81678153
  H      3.05101083      2.72426131     -0.78334084
  H      1.57413143     -0.55882504     -1.46005846
  O      2.20569525      1.97043083      5.17940058
  H      2.43106099      1.47446207     -1.51457484
  H     -0.38485173      3.62493440      0.62312533
  O     -0.32434133      1.79417901      6.48938290
  H      5.20406764      3.73720517     -0.00833069
  H     -1.05166338      3.17317931      1.98112505
  O      2.48258926     -0.28764532     -1.64966686
  H      4.16518748      3.65129896      1.13265752
  H      1.77197050     -1.74663386      2.70274127
  O     -0.24458100      3.51512936      1.57108686
  H     -1.43312764     -2.31956195      1.60653519
  H      1.00057315     -2.67915538      1.74602783
  O      1.88788386     -2.43895056      2.03587978
  H     -1.20857237     -3.71242829      0.97472780
  H      2.93441232      4.35074552      3.13521604
  O      3.80532070      4.17480226      2.75906330
  H     -2.04400220      4.74645578      5.44250604
  H      4.22146909      3.52853460      3.34381106
          69
 Energy    -249.39343850565660     
  O      4.00910052      2.38040261      5.99478041
  H      4.59739850      1.87908448      5.40235246
  H      1.78748559      0.44426000      3.94062110
  O      2.45158250      1.77058438     -0.90479710
  H      4.34367259      2.25882166      6.87929245
  H      3.75804489      2.08315756      0.23336822
  O      0.42742984      3.46206631     -1.78767938
  H      1.84436904      2.37406346     -1.34887832
  H      4.39114594      1.25788661      1.38673715
  O     -2.42760945     -0.39039237      2.81798690
  H      2.42161039      0.90426922     -1.34109219
  H      1.64679711     -2.02673645      2.68856869
  O      3.53988184     -2.36997047      0.28724327
  H      0.29181903      4.04171997     -2.53223080
  H      0.66096663     -2.58852485      1.65908984
  O     -0.76658089     -1.59201308      0.88845665
  H     -0.22207361      2.74016920     -1.86981148
  H     -2.43109962      4.66210151      2.67940271
  O      2.42402632      3.61267520      2.49954047
  H     -1.94696465      0.26616444      3.35529026
  H     -1.17927318      4.09789139      1.96264303
  O      0.19356452      4.30029853      0.98129033
  H     -3.17347337     -0.67265398      3.34039739
  H     -0.18135133      1.28184495      0.98119373
  O      5.65697693      1.15641553      4.20195335
  H      2.82422494     -2.59037037      0.90984714
  H      1.24760437      1.13404178      0.36873631
  O      6.25719549      3.38185175      2.50580196
  H      4.00320000     -3.18370987      0.10417254
  H     -1.05330364      0.46198993     -1.93159507
  O      4.31923976      4.64523129      4.21312918
  H     -0.18116530     -0.81701718      0.86538724
  H     -1.72415171      1.45282362     -0.95374494
  O      1.87694107     -0.23884059      3.26621388
  H     -1.42176336     -1.38405360      1.56568324
  H      3.53900120     -0.33657391      2.62937765
  O      4.32638537      2.14857985      1.01401416
  H      2.98762129      4.14384301      3.08123571
  H      4.28716260     -1.05624281      1.48727076
  O      1.51973485     -2.75686128      2.06673431
  H      3.02335180      3.06722005      1.97472760
  H      2.68526449     -1.37085992     -1.10614352
  O     -1.96582997      3.85354204      2.48609672
  H      0.33173135      4.08340398      0.05378048
  H      1.34342855     -1.09137585     -1.83879538
  O      0.63941800      0.77826028      1.02755191
  H      1.01149870      4.10377844      1.46022449
  H     -2.37656664      0.89697805      1.41469616
  O     -1.30070612      1.38640674     -1.82249022
  H      5.34511031      0.50192978      3.56464616
  H     -2.20396989      2.43172826      1.32612308
  O      4.38881809     -0.37693013      2.16293299
  H      6.01844710      1.88333203      3.67885283
  H     -1.00495134     -2.09852735     -2.33616249
  O      2.25806021     -0.79714929     -1.75459257
  H      5.61355678      3.01623178      1.87403738
  H     -0.72757182     -1.59634278     -0.90115814
  O     -2.12966813      1.61368358      0.81760503
  H      7.00531149      3.67832389      1.99431373
  H     -1.46925434      2.45693589      3.68889584
  O     -0.55195089     -1.42054629     -1.84046430
  H      5.07666205      4.35146096      3.69023579
  H     -0.30589435      1.78344236      4.44794634
  O     -1.20805198      1.64162399      4.13530869
  H      4.23481523      4.00571891      4.93128599
  H      1.73972227      2.62302223      3.90581023
  O      1.52553944      2.10612828      4.69676297
  H      1.42937373      0.12101746      2.48448180
  H      2.28330245      2.20026432      5.28692831
          69
 Energy    -249.39317757945292     
  O     10.07963470     12.17261455     -9.86188627
  H     10.95793349     12.41674003     -9.53984429
  H      9.66151879     10.78839448     -8.90655156
  O     12.12557741      8.82505586    -16.65357793
  H     10.09769657     12.24546382    -10.82330460
  H     12.13821934     12.59817470    -12.48501692
  O     11.08646018      8.64418156    -10.31791248
  H     12.00805044      8.26300242    -17.41419542
  H     13.35625890     13.31198756    -11.77898921
  O     13.36754177      8.80815459    -14.11894971
  H     11.23540232      9.05003800    -16.32782856
  H     16.21808050      8.57714719    -11.40314599
  O     12.71979965     12.46882131     -8.86009961
  H     11.66132900      7.95687692     -9.95929359
  H     16.89704837      9.41790143    -10.30618212
  O     12.76042417     11.60721798    -16.26984578
  H     10.53072476      8.98398631     -9.60453580
  H     14.11369169      8.14066426    -12.55960270
  O     10.85269097      9.36103448    -12.95107567
  H     13.85348867      9.64626936    -14.14887077
  H     14.16410432      8.95762840    -11.25226298
  O     14.26994177      8.87356675     -7.78498725
  H     13.03020857      8.65495362    -15.00973293
  H     14.50381402     15.19607908    -10.34161911
  O     13.28631590     10.40782812    -10.66911708
  H     13.19286746     13.22601675     -9.22248581
  H     14.96264405     13.71608571    -10.41705769
  O     12.09659064     10.42783713     -7.02361557
  H     13.03296590     11.69877713     -9.35863211
  H     13.66136826      7.16847363    -10.33779018
  O     16.19807192     12.53193900    -10.46020099
  H     13.50713418     11.59451940    -15.65728387
  H     13.28927459      5.92849385     -9.49017417
  O      9.58445278      9.96580649     -8.38812300
  H     12.63190479     10.69082373    -16.54398187
  H     18.00636470     11.33320818    -13.19483900
  O     13.10062198     12.61397941    -12.39396487
  H     10.81220052      8.99272715    -12.05826624
  H     17.14051950     10.40422342    -12.31176578
  O     17.02065723      9.07621101    -11.20167679
  H     11.73292876      9.16696185    -13.30066580
  H     10.25714845     12.37646238    -13.61216663
  O     14.43102843      8.11100233    -11.64784885
  H     13.89681746      8.14226824     -8.28650655
  H     10.52927586     11.13388117    -12.74163943
  O     14.18239009     14.30309030    -10.42312476
  H     13.51805700      9.37504074     -7.43632704
  H     14.11982556     11.81965400    -13.58299142
  O     13.14622021      6.86811846     -9.56916405
  H     13.19364238     11.10729744    -11.32972223
  H     15.54247336     11.25706183    -13.83186086
  O     17.12401368     11.21430058    -12.85293519
  H     12.44184854      9.94402167    -10.58118782
  H     11.20401028     12.25637669    -15.76654561
  O     10.41608259     12.09608707    -12.70197631
  H     11.21192934     10.20609803     -7.33498610
  H     10.00448793     13.18079886    -16.07855891
  O     14.64686622     11.27549191    -14.18900346
  H     12.31521112     11.26421404     -7.45649610
  H     16.98095722     10.35093026     -7.96407166
  O     10.30375779     12.49826313    -15.48388440
  H     16.52529531     12.17681691    -11.29444613
  H     15.61017431      9.79761700     -8.39688970
  O     16.39205015     10.28419153     -8.71183393
  H     16.20663269     11.79879415     -9.83142533
  H      9.97937212      9.45091831    -14.60027845
  O      9.79232581      9.65501106    -15.52780346
  H      8.70361994      9.94935117     -8.02479414
  H      9.78246028     10.61840680    -15.58092827
          69
 Energy    -249.39258752834633     
  O     -2.92460638     -3.18294073     -0.30904293
  H     -3.18868954     -3.21329225     -1.22523815
  H     -2.46257656     -4.84445504      0.62467034
  O     -2.91218359      2.25113935      5.50781416
  H     -1.99805610     -2.88501771     -0.29211049
  H      1.14627415     -5.95510165      1.47459341
  O      1.50673574     -0.60969349      5.71966131
  H     -2.11078943      1.71607912      5.43046551
  H      1.02452337     -5.28181109      0.10238746
  O     -1.90688903      0.31443550      2.34696363
  H     -3.57382787      1.66022267      5.88931236
  H     -0.10471477     -3.67341737      3.26036989
  O     -0.02950186     -2.98939933      6.36551507
  H      0.66330648     -0.19384478      5.46588314
  H     -1.29784903     -2.72634184      3.18964452
  O     -4.76042246      0.16707313      6.20022547
  H      1.92807820     -0.02089619      6.34042903
  H     -2.40927733     -5.76081980      2.81623947
  O     -2.53842278     -1.59309279      6.28200926
  H     -2.37419031      1.15893830      2.36167074
  H     -3.05508220     -6.54311101      3.98919458
  O      0.10842120     -5.03338744      4.53969745
  H     -1.10590231      0.38930469      1.80736400
  H     -3.12853051     -0.95050552      1.95719467
  O     -5.23959234      0.22909951      3.51214299
  H     -0.88675996     -2.57448740      6.52326896
  H     -3.64183792     -2.12114146      1.06304243
  O      0.43678778      0.13006540      0.95874307
  H      0.58976148     -2.26529484      6.21601951
  H      2.92807729     -4.17237794      2.21863354
  O      2.25463887     -5.75118388      3.04578648
  H     -5.58733471      0.20051331      6.67395538
  H      2.81964416     -2.62547086      2.16032704
  O     -2.14779096     -5.58647040      1.14967658
  H     -4.98351612      0.12724667      5.25289860
  H     -1.49677441     -0.38064936      5.45600032
  O      0.56905394     -5.88057003      0.70567542
  H     -2.74657790     -2.15063301      5.51360592
  H     -1.23273801      0.24059463      4.05312025
  O     -0.42853842     -2.88656038      2.80504221
  H     -3.31604126     -1.04140013      6.42861285
  H      1.00792784     -1.79570377      2.95494807
  O     -2.52181057     -5.78013824      3.78571105
  H      0.06627276     -4.37552651      5.25183461
  H      1.91847471     -1.02091719      3.92474557
  O     -3.83916930     -1.60404190      1.85254715
  H     -0.77947962     -5.38254419      4.39397584
  H      2.46200556     -3.63396033      0.10326586
  O      3.13385737     -3.40073796      1.67613491
  H     -4.81725937      1.04076745      3.20467750
  H      2.60102582     -3.81267648     -1.42890070
  O     -0.95907710      0.26989906      4.97996395
  H     -4.94264264     -0.46352443      2.90863516
  H     -3.34724889      2.54147325      3.82535912
  O      1.83303068     -1.28822087      3.00265764
  H      0.20119877     -0.66246437      0.45816262
  H     -3.72976097      3.41231279      2.60361138
  O      1.96755262     -3.81686175     -0.71737342
  H      1.07545507     -0.16961732      1.61918180
  H     -3.43697301     -2.64219991      3.26778745
  O     -3.58028690      2.51255874      2.87998930
  H      2.77738504     -6.43730711      3.45292820
  H     -2.96249332     -3.98757665      3.93967248
  O     -2.98751983     -3.02731474      4.03253501
  H      1.53083673     -5.54852793      3.66299253
  H      0.44053732     -2.89774790     -0.31697561
  O     -0.33356622     -2.45807518      0.05723889
  H     -1.21111384     -5.71430739      0.93344047
  H     -0.35439612     -2.67590634      1.00254250
          69
 Ord_Energy   -249.391922    
 O   -12.0887489     -0.718687415      0.726614416    
 H   -11.9695635      0.239224389      0.868229508    
 H   -13.0276709     -0.882656634      0.712669551    
 O   -4.55582237      -1.63584054       1.77003658    
 H   -4.24750042     -0.722344339       1.74510252    
 H   -5.17139006      -1.70959854       2.51740074    
 O   -4.07756853       1.15220082       1.77205467    
 H   -3.36054516       1.65761709       2.14786839    
 H   -4.87045002       1.35449004       2.29925084    
 O   -7.22229671      0.184641287       5.41015100    
 H   -7.09577894      0.246611103       6.35253000    
 H   -8.16401005      0.370906264       5.23744678    
 O   -9.16096020      0.689171910      -2.74672484    
 H   -9.55660629      -7.45390579E-02  -2.28807378    
 H   -9.57181168      0.736560524      -3.60562825    
 O   -10.4818478       3.12153482       3.47433949    
 H   -10.8814373       3.86457753       3.91944861    
 H   -9.60919857       3.42106605       3.16322637    
 O   -6.47251606      -1.95895481       3.72126007    
 H   -6.75814247      -1.28903544       4.35282230    
 H   -7.25616693      -2.26983643       3.24905968    
 O   -6.43636036      -4.82442808       3.27940130    
 H   -5.80561256      -4.82745647       2.54473019    
 H   -6.23094463      -4.02153587       3.77204514    
 O   -9.76793098      0.683074951       4.74745655    
 H   -10.0477409       1.52762353       4.37489986    
 H   -10.0057449       7.37401983E-03   4.09635448    
 O   -9.31967163       2.26231885     -0.446475267    
 H   -9.24991703       1.82289839      -1.30385053    
 H   -8.68716908       2.99131131     -0.423745304    
 O   -11.5523586       1.88349485       1.14063179    
 H   -10.8519173       2.10860586      0.511418521    
 H   -11.2914019       2.29185963       1.97430086    
 O   -8.39872265      -3.33481860     -0.454305947    
 H   -7.69765711      -2.66200686     -0.386017919    
 H   -8.01927471      -4.08032560     -0.913350523    
 O   -10.1401615      -1.12498307       2.68539810    
 H   -10.8767185      -1.10973191       2.06176996    
 H   -9.71753407      -1.99415410       2.63803244    
 O   -8.59350491      -3.36299372       2.36113930    
 H   -7.98757076      -4.04561281       2.68352270    
 H   -8.57429504      -3.41336203       1.39693081    
 O   -6.42210674       1.56959379       3.10550857    
 H   -6.59898663       1.17190504       3.96660233    
 H   -7.04255152       1.16279817       2.47901988    
 O   -7.35044479       4.22136545     -0.117655009    
 H   -7.13739967       5.02264166     -0.587406516    
 H   -6.59775972       3.61310625     -0.241530403    
 O   -6.62562609      -1.32902551      -7.28979483E-02
 H   -5.84990025      -1.49062693      0.477071583    
 H   -7.18288279     -0.696314692      0.405883968    
 O   -6.35566425      0.499167025      -2.17794728    
 H   -6.36815405     -0.229681313      -1.54246831    
 H   -7.26450729      0.580997765      -2.48917437    
 O   -5.38048458       2.44632435     -0.483541399    
 H   -5.65894938       1.78868473      -1.13923073    
 H   -4.86698580       1.97922552      0.181851923    
 O   -4.57798624      -4.37426949       1.20564985    
 H   -4.44036293      -3.42658448       1.35933459    
 H   -3.72543788      -4.72237158      0.954323649    
 O   -8.00715542       3.85882282       2.62866330    
 H   -7.79412031       4.09009027       1.71662760    
 H   -7.37578773       3.17233896       2.87994695    
 O   -8.20738602      0.418830961       1.35275936    
 H   -8.61541653       1.05872464      0.755048573    
 H   -8.91015625      -6.07150085E-02   1.80978322    
 O   -10.2458754      -1.35669005      -1.35634542    
 H   -10.9003811      -1.18854284     -0.667784452    
 H   -9.70933437      -2.10176063      -1.06087244    
          69
 Energy    -249.39170242600483     
  O     12.93795571      9.25546456    -16.55701202
  H     12.30681308      8.57391437    -16.29145058
  H     17.27147673      9.35288864    -11.91828507
  O     12.34522640      8.12701307    -12.86618833
  H     12.46283408     10.09261398    -16.48714457
  H     16.96691905      7.09432104    -13.06803635
  O     14.56745311      8.82616213    -14.41474093
  H     11.79700772      8.90647335    -12.69296146
  H     15.87268434      8.13342094    -13.40535891
  O     13.41227597     12.68729978     -7.09889297
  H     12.86687422      7.94271836    -12.07453005
  H     12.46096039     15.40308054    -11.65497443
  O     11.37739632     11.64389641    -16.10882631
  H     14.18268938      8.97524949    -15.29064136
  H     12.37851262     14.11879507    -10.80394258
  O     14.65918140      8.20394596     -8.13038855
  H     13.82057514      8.58048341    -13.84902318
  H     14.44716003      7.87228775     -9.91966131
  O     13.96021819     10.69836219    -10.89086608
  H     14.14620545     12.59583321     -7.73290805
  H     15.11247679      7.76336484    -11.33813811
  O     12.67414641      9.97604154     -7.62169907
  H     13.75552825     13.16069852     -6.34598613
  H     17.30812350     11.69152638    -12.27127161
  O     15.55363673     14.20494830    -11.00041947
  H     11.22004339     12.35995171    -16.71987738
  H     17.89364677     12.81582860    -13.16053721
  O     11.35295331     10.71404738     -9.98236579
  H     11.62986655     12.05157385    -15.26454641
  H     11.17774620     11.15118533    -12.90623201
  O     12.18460009     12.55678649    -13.61933857
  H     14.71830287      7.59254464     -7.40104243
  H     10.10748810     10.13845149    -13.38579853
  O     17.55378116     10.17722499    -11.50932919
  H     13.94119934      8.82624059     -7.91433793
  H     14.78860338     11.69824408     -9.62986742
  O     16.44898150      7.80362369    -12.69518685
  H     14.20433721     11.01222347    -11.76974055
  H     15.47151271     13.07605957     -9.59618341
  O     12.71466151     14.48307934    -11.64249107
  H     14.14528660      9.75101559    -10.86659901
  H     15.52983029     11.82794349    -13.37770628
  O     14.28028020      7.91098727    -10.87109183
  H     12.05027199     10.10936320     -8.34796402
  H     14.74441383     10.56728285    -13.89453866
  O     17.08584067     12.50567564    -12.76099123
  H     12.88230030     10.85979586     -7.29497658
  H      9.91997206      8.88305039    -15.22398406
  O     10.68883301     10.35941007    -12.64494230
  H     14.65236510     14.28768374    -11.33434112
  H     10.02405673     10.38811762    -15.52937684
  O     15.26161018     12.30958366     -9.04475894
  H     16.05944847     13.71171507    -11.65805983
  H     16.17149304      9.35946890     -8.53586673
  O     14.65170039     11.44709406    -13.50703306
  H     12.28039767     10.75910685    -10.26731638
  H     16.41201311     10.86119024     -8.76941750
  O      9.49797066      9.73400652    -15.05140698
  H     10.85823158     10.53193429    -10.79001690
  H     11.43721986     12.51566067     -9.54373534
  O     16.83029230      9.99195917     -8.84276624
  H     12.24365853     13.28343690    -12.98746360
  H     12.25442596     13.31215225     -8.51849018
  O     11.76350596     13.40364561     -9.34284656
  H     13.07708931     12.17789746    -13.66241716
  H     10.94613969      6.47287452    -15.33292699
  O     11.15966226      7.40013768    -15.26517863
  H     17.37861749     10.08710323    -10.56092213
  H     11.55860763      7.53103967    -14.38901129
          69
 Energy    -249.39121327341451     
  O     15.77101240      9.12044305    -16.49574189
  H     16.53255824      8.67194897    -16.88327974
  H     16.60449945      2.65855611    -17.48596342
  O     13.90720057      2.78631312    -15.89642180
  H     16.13862174      9.63608438    -15.76958646
  H     20.06115369      4.71039226    -16.25464181
  O     17.97640421      6.06390279    -11.77072761
  H     14.77712577      2.44303456    -16.17157214
  H     21.27234619      4.06643153    -15.53707309
  O     19.28270292      5.19368353    -17.73829169
  H     13.26009792      2.12415745    -16.12352716
  H     17.75878223      6.99127143    -16.39950929
  O     16.78504048      4.14652751    -18.70386540
  H     17.64391882      5.17216202    -11.94458710
  H     18.77741472      8.15854147    -16.35075109
  O     13.48321842      6.48290750    -10.38540984
  H     17.40716512      6.66935915    -12.27128892
  H     16.02336149      5.62508783    -15.98382505
  O     14.34824859      3.97693670    -13.38639623
  H     19.03474520      6.12306833    -17.63728465
  H     17.19697501      4.97069838    -15.20366123
  O     16.37651951      7.60514560    -13.38236942
  H     18.49756161      4.75925836    -18.09249574
  H     13.55430917      7.22365753    -15.06899296
  O     17.95044322      3.33334256    -14.76161525
  H     16.04326993      4.58657331    -18.25495136
  H     14.31531450      8.03360963    -16.16134359
  O     13.43448302      3.64151924    -10.74988147
  H     16.58314183      4.16191648    -19.63654914
  H     14.94376237      3.18243717     -9.98083989
  O     19.70479849      9.04545792    -14.92582879
  H     14.41080368      6.36742719    -10.11156874
  H     15.82786059      2.38104374     -8.99365943
  O     16.39500181      2.12394567    -16.71074437
  H     13.07196670      7.03992834     -9.72981437
  H     14.22999575      5.94692716    -16.88822697
  O     20.42206013      4.46924581    -15.38191934
  H     14.12432843      4.91689443    -13.43770479
  H     14.29330770      4.38699213    -16.79825929
  O     18.21384827      7.65181096    -16.94686711
  H     14.13580543      3.56624499    -14.23216795
  H     19.40514643      6.43894196    -12.93322936
  O     16.78615056      5.81552783    -15.42283659
  H     16.61569857      8.50366036    -13.63435094
  H     20.16431325      5.92340366    -14.18955195
  O     13.65614488      7.33763416    -16.02061132
  H     16.52972932      7.02696346    -14.14732087
  H     16.64967955      3.24316380    -11.35926002
  O     15.85481970      3.06736951     -9.65420619
  H     17.71182516      3.29470924    -13.82502646
  H     15.98181146      3.70168228    -12.67795824
  O     14.70996384      5.16119851    -17.19633215
  H     18.87253309      3.60573088    -14.84443800
  H     16.79467147      6.11102254    -10.24284699
  O     19.99164203      6.70581246    -13.65278465
  H     13.27298765      4.57233251    -10.55062704
  H     16.06838647      4.98082384     -9.49658652
  O     16.84063230      3.53779433    -12.25718550
  H     13.62601738      3.61670019    -11.69786667
  H     14.68275517      7.09330514    -13.21542204
  O     16.05673091      5.93447218     -9.64680827
  H     20.57381746      9.40417068    -15.08375763
  H     13.53261945      6.70146939    -12.26654692
  O     13.79312583      6.70795695    -13.19566531
  H     19.82780821      8.21768880    -14.42453086
  H     18.15466360      9.84328323    -14.45693721
  O     17.25727455     10.13867572    -14.23197265
  H     16.99245427      2.43026178    -16.01264115
  H     17.34556567     10.96843829    -13.76985351
          69
 Energy    -249.39007809057466     
  O      9.91811051     11.04051724    -11.76840738
  H      9.11383494     10.96765148    -11.26179272
  H     16.05865638     14.04069253    -12.94563166
  O     14.45391092      9.88984666    -13.10655049
  H     10.60134129     10.54670125    -11.28092570
  H     17.61262206     10.91479586    -15.26900026
  O     14.11215004      6.49552070    -14.43452217
  H     14.23535278     10.68976636    -12.61330159
  H     19.12520919     10.58873437    -15.26862887
  O     11.53945448     12.96013901    -13.00684555
  H     15.37154187      9.65423876    -12.92317108
  H     14.49128007     10.84308238     -8.59325843
  O     15.31251404     15.64325174    -13.51586246
  H     14.09276150      6.91441527    -15.30276618
  H     15.30212416     10.77843682     -9.90569107
  O     16.28701281     12.04146716    -15.40642780
  H     13.41009694      6.90856404    -13.91364261
  H     17.57784185      8.61320631    -15.87540335
  O     13.84716090     12.29224208    -11.76411676
  H     10.85520230     12.43466983    -12.57622795
  H     17.09844198      7.26695251    -15.29789309
  O     14.08444244     10.39220339    -15.75024953
  H     12.36559520     12.74923589    -12.54310444
  H     16.79529000     11.85000027    -11.36772361
  O     16.67336747      6.49911248    -13.59232843
  H     14.34664232     15.55798076    -13.61279442
  H     17.05097994     10.33280337    -11.35000045
  O     11.88680316      9.56891554    -10.57842123
  H     15.48199702     16.54185316    -13.24594363
  H     11.75114994     12.29661429    -14.69923947
  O     12.65513765     14.36597176    -16.70277052
  H     15.52012632     11.48439525    -15.59853051
  H     12.60855352     11.42346460    -15.68502085
  O     16.28032054     13.11480821    -12.77579050
  H     16.09738757     12.91727600    -15.77365983
  H     15.49283722      7.85508600    -16.72353337
  O     18.26505021     10.21323244    -15.09920983
  H     13.96501806     11.90014325    -10.88958161
  H     14.42184616      7.52249171    -17.79243263
  O     14.40290517     10.72370621     -9.53560987
  H     14.69663093     12.65314849    -12.05390054
  H     14.54706173     14.48994228    -16.44795518
  O     17.12911082      7.79153628    -16.10824890
  H     14.17894054     10.16187195    -14.81250627
  H     15.48940154     15.02165065    -15.34927158
  O     16.80674651     11.07958942    -10.78621625
  H     14.16498918      9.57065432    -16.24960981
  H     10.17434177     10.16700615    -13.47630623
  O     11.81925801     11.98080730    -15.61312139
  H     16.92171787      5.63434032    -13.27785802
  H     10.80421768     10.39734457    -14.86191968
  O     14.54063199      7.89970257    -16.92482133
  H     15.73042561      6.45023306    -13.83542130
  H     17.01965699      8.18163159    -12.92959370
  O     15.47326291     14.52478335    -16.17631336
  H     12.06167468      8.91521085    -11.26961075
  H     17.60056309      9.49904016    -13.51113941
  O     10.50574514      9.70835533    -14.25899179
  H     12.73876207      9.82592059    -10.21199129
  H     12.59436264     15.14723939    -14.95372871
  O     17.12846239      9.12597826    -12.75512250
  H     12.14227878     14.61268576    -17.46815625
  H     12.16866903     14.61754684    -13.57499083
  O     12.66773631     15.32330968    -14.00753479
  H     12.31787224     13.50310594    -16.40852455
  H     11.67569649      8.54396183    -13.48042473
  O     12.36949026      8.10678900    -12.96420389
  H     16.31770366     12.68532296    -13.64131782
  H     13.13776888      8.69847251    -12.99350756
          69
 Energy    -249.38988095123284     
  O     -3.28802644      0.65574367      0.43952953
  H     -3.73300500      0.27877397      1.21223791
  H      1.59989506     -3.16198743     -0.85075843
  O     -4.09818719     -2.64633618      6.38186533
  H     -3.36854637     -0.01197116     -0.24881038
  H      0.23198842     -5.03030094     -0.27326361
  O     -1.47199925     -0.46996077      3.47208697
  H     -4.30084113     -3.56898782      6.18295694
  H      0.51156007     -5.83236250      1.01645888
  O     -4.13738551     -0.73224359      2.71055005
  H     -3.15749122     -2.52791828      6.19551587
  H     -1.30624161     -3.18262134      1.70417016
  O      1.29465819     -3.12781515      5.46847020
  H     -1.18532977     -1.16317869      2.85388605
  H     -0.72552509     -2.05606118      0.80562708
  O     -4.75604521     -5.22599523      5.29515266
  H     -1.25118264      0.36462467      3.04211475
  H     -2.27359083     -4.87974547      2.59446288
  O     -1.44114247     -2.42964119      5.42889814
  H     -4.75529322     -0.80753793      3.44744938
  H     -1.65650124     -5.11339985      1.16436583
  O      0.49116365     -5.82002032      4.80305042
  H     -3.24827706     -0.63650338      3.07915377
  H      0.86285646     -2.88369294      2.36829566
  O     -6.02893630     -3.78134334      3.37926136
  H      2.03999908     -2.76838449      5.94278697
  H      1.80887187     -4.10376217      2.56658964
  O     -1.04889495      1.64301681      1.65938856
  H      1.50311061     -3.05348880      4.52109453
  H     -4.30481602     -2.22195662      1.68001197
  O      1.76547134     -5.96633595      2.41840054
  H     -5.30366837     -5.94336004      5.60164347
  H     -3.74664689     -3.62903553      1.26880357
  O      1.02529924     -3.72352463     -1.40305388
  H     -5.24316744     -4.78489812      4.57602819
  H      2.05321548     -1.19928503      0.18825518
  O     -0.17077206     -5.63419488      0.36284735
  H     -1.46070225     -1.66295388      4.83859336
  H      2.42763033     -2.36901196      1.12730273
  O     -0.74461715     -2.39665158      1.70879006
  H     -0.50962712     -2.62695534      5.58760070
  H      0.36876544      0.76075150      0.64230866
  O     -2.35064384     -4.65048066      1.65825360
  H     -0.45981736     -5.68339265      4.68927079
  H      0.26402304     -0.29138029     -0.46781465
  O      1.70976848     -3.16017682      2.75156233
  H      0.82001142     -5.00809982      5.20710485
  H     -1.79554266     -1.79347492     -1.20713945
  O     -4.45364888     -2.98596893      1.10218410
  H     -6.12592420     -2.91903038      3.80271889
  H     -0.36397115     -2.44175746     -1.31296290
  O      2.46504238     -2.07664613      0.20992491
  H     -5.63058620     -3.61486809      2.51662158
  H     -6.49285263     -0.81934290      5.35238397
  O      0.90190086      0.22239732      0.04816605
  H     -1.07476609      2.59643378      1.66106651
  H     -5.23556352     -1.71910112      5.44816880
  O     -0.86090688     -1.67477410     -1.00010346
  H     -1.82420394      1.34576083      1.15019494
  H     -1.92726564     -4.06184252      4.71429056
  O     -5.85838401     -1.29917234      4.82752774
  H      1.30491241     -6.02435828      3.27479725
  H     -3.01395809     -5.17218232      4.73280857
  O     -2.13485196     -4.95303718      4.39882569
  H      2.47591689     -6.60174141      2.44363960
  H     -4.29881237     -1.82533631     -1.91727833
  O     -3.65305654     -1.73912585     -1.22062070
  H      1.52788036     -3.94536469     -2.18248694
  H     -3.99962462     -2.23201797     -0.45817831
          69
 Energy    -249.38962882283474     
  O     -3.49800272     -3.56461367      0.33405214
  H     -3.42426284     -4.33449903      0.90956515
  H      0.20588194     -5.84205623      2.64884705
  O     -2.11203770      2.19255652      5.39457981
  H     -2.59328236     -3.37992212      0.04175277
  H      2.15750435     -2.47358300      5.75701858
  O      2.32194315      0.37427660      4.30236537
  H     -1.38904629      1.63541100      5.07508395
  H      2.82032819     -1.27497009      5.03797675
  O     -1.88321004      0.41279142      1.94042011
  H     -2.68260906      1.59524369      5.89367986
  H     -0.41189555     -2.92188396      1.65577065
  O      0.54166076     -3.31571954      6.33450101
  H      2.61739297      1.26002022      4.49560446
  H      0.34786491     -3.51868267      2.89719752
  O     -3.76667518      0.05362679      6.39092446
  H      1.34897546      0.38682258      4.33360104
  H      4.64267402     -4.58073436      4.13810993
  O     -1.66913218     -1.73593246      5.86885755
  H     -2.36271564      1.22609386      2.14054475
  H      3.61904470     -3.43805106      4.34843254
  O     -4.87250398      0.33270463      3.93405853
  H     -2.53641915     -0.30155112      1.95749292
  H     -3.86204801     -2.15783194      1.42369666
  O     -0.02438775     -0.38976683     -0.06149722
  H     -0.22943841     -2.73474490      6.23433792
  H     -3.45006121     -2.15816237      2.89494274
  O      1.09841100     -4.86518683      3.96842854
  H      0.48927139     -3.68179683      7.21483579
  H      3.45336981     -3.77464636      1.99497330
  O     -2.94164049     -5.65051063      2.29647117
  H     -4.44886027      0.07869861      7.05653746
  H      2.79753876     -2.56971027      1.29966245
  O     -0.29610178     -6.10293869      1.86508674
  H     -4.21633542      0.11210208      5.52782453
  H     -0.77550510     -0.48028962      4.81194830
  O      2.98101472     -2.17260439      5.35384149
  H     -2.06036445     -2.36454816      5.24089332
  H     -0.83308734      0.24597532      3.43512252
  O     -0.14946674     -2.75564769      2.57369860
  H     -2.37900200     -1.15315408      6.16610352
  H      2.22277031     -0.48398188      2.60828738
  O      3.83164160     -4.21348330      3.79767842
  H     -4.67046014     -0.35975216      3.28952444
  H      1.18396951     -1.55034289      2.19375161
  O     -3.81749216     -1.58941695      2.20564681
  H     -4.53000010      1.15058730      3.55397679
  H      1.69614096     -5.34510631     -0.98491061
  O      3.08361741     -3.48197290      1.15401686
  H      0.78430244     -0.45493052      0.46290835
  H      1.96326578     -4.42938719      0.23272011
  O     -0.39178616      0.24068300      4.29680881
  H     -0.68587059     -0.01413438      0.53543104
  H     -2.92154580      2.57968737      3.86277408
  O      1.93764441     -1.03208229      1.86993409
  H      2.05687925     -4.76986110      3.88976792
  H     -3.54763299      3.50386449      2.78938727
  O      1.27171657     -4.92492907     -0.24170006
  H      0.84642431     -4.44798571      4.80133347
  H     -1.65873442     -3.11839026      3.41714722
  O     -3.36358481      2.59162493      2.99558059
  H     -2.00962027     -5.85368324      2.09989278
  H     -2.74583417     -4.21486033      3.46876604
  O     -2.47448629     -3.38223582      3.87408893
  H     -3.39846367     -6.48598818      2.34410785
  H     -0.08518978     -3.62578808     -0.35230812
  O     -0.80096319     -3.02094127     -0.12461408
  H      0.21156074     -5.79209827      1.10602220
  H     -0.51032534     -2.10859871     -0.27900478
          69
 Energy    -249.38904000193480     
  O     13.05336659      4.34493837    -11.27675641
  H     13.79010341      4.10378564    -11.85164140
  H     16.57793103      8.89756346    -10.76156873
  O     15.77654982      9.90459506    -15.99509357
  H     13.44423140      4.72862583    -10.48217737
  H     15.34541291      7.91257914    -12.13183280
  O     18.08260467      8.67425060    -13.62768618
  H     16.03242142      8.97371519    -16.01812784
  H     13.87410434      7.86034758    -11.69090458
  O     15.44446854     10.26487918    -10.08899381
  H     14.96938282      9.94890210    -15.46310562
  H     10.06818347      5.04203305    -11.90362483
  O     11.01783735      9.23634441    -14.12481000
  H     17.53419542      8.18742567    -14.26079012
  H     11.60953702      5.11694702    -11.82023122
  O     17.78715036      2.96843825    -13.99546403
  H     18.04065950      9.60406259    -13.88045947
  H     19.33216027      7.24298772    -13.53364172
  O     11.55233794      6.63144596    -14.64818525
  H     15.42428311     10.74426116    -10.93729081
  H     19.42489040      5.98021119    -14.40023272
  O     16.60293437      5.44646177    -10.70349008
  H     15.67139496     10.90484001     -9.41942028
  H     14.63811126      5.21641027    -14.03014831
  O     18.37159310      5.04176961    -15.78189821
  H     10.23179346      9.51844096    -14.58415357
  H     14.26704898      6.67907713    -13.75871642
  O     15.45681668     11.46322917    -12.50520969
  H     11.18953834      8.31667241    -14.39913981
  H     16.91753425     10.86968081    -15.10574634
  O     13.70612531      9.98086418    -14.09617264
  H     18.22868404      3.38055889    -13.22763648
  H     18.00105636     11.96755589    -14.96537224
  O     16.92617544      8.11932036    -11.21268605
  H     18.01040860      2.04188854    -13.97849654
  H     17.19047942      6.50210462    -15.71309726
  O     14.44190594      7.86070089    -12.46835227
  H     11.24718054      6.19230425    -13.84345068
  H     15.75349244      6.80069414    -15.22883192
  O     10.81404651      5.60056635    -12.10591175
  H     12.46979900      6.35358845    -14.76596250
  H     18.19121435      4.65304067    -11.36217077
  O     19.74810700      6.37306869    -13.58115044
  H     15.89407125      5.43780240    -10.04994990
  H     19.27808742      5.06287873    -12.39131974
  O     14.30044416      6.01136473    -14.46280460
  H     16.81121779      6.38053952    -10.85520127
  H     11.17824737      8.77115831    -12.24024050
  O     17.52993475     11.29744019    -14.47825375
  H     18.78585920      4.68074800    -16.56250342
  H     11.06649872      7.39228516    -11.57150994
  O     16.57992260      7.21987087    -15.50714063
  H     18.13032120      4.28754331    -15.22146866
  H     16.11154701      3.55947169    -13.27484095
  O     18.87612427      4.30213457    -11.94474951
  H     16.22651775     11.52297707    -13.08272463
  H     15.84583307      4.56326465    -12.13167371
  O     11.29954739      8.31466693    -11.40022510
  H     14.74884424     11.10246578    -13.05698638
  H     13.99355550      6.60128667     -9.28397639
  O     15.41206380      4.04894326    -12.82949417
  H     12.75173295      9.88253265    -14.19067738
  H     14.13559721      5.54927054     -8.15917130
  O     14.28750355      5.69421925     -9.08951655
  H     13.99325142      9.23949058    -13.54229580
  H     14.03652903      8.97995726     -9.85057994
  O     13.47032764      8.20120811     -9.78617961
  H     17.42002065      8.40145707    -11.99676414
  H     12.62412724      8.38318078    -10.22564298
          69
 Energy    -249.38889971018506     
  O      9.98207812      7.25659016    -10.46351962
  H     10.80499731      7.76321918    -10.42309292
  H     10.42970175      9.41089091    -12.68396939
  O     12.34600734      8.68178884    -10.38669998
  H      9.33564569      7.72109693     -9.91930519
  H     12.56982995      3.93670830    -12.37273196
  O     12.32038539      6.75179966    -13.92759073
  H     12.89933561      8.07659833    -10.90207549
  H     11.92677976      4.24746627    -11.00982270
  O     10.09005750      8.44584267     -6.81443113
  H     12.44934556      8.41262877     -9.46433805
  H      7.90617512     11.53865157    -11.09496951
  O      5.90607034      6.33946163    -11.73989716
  H     12.24137472      5.80397523    -14.09552950
  H      9.05890982     10.53998312    -11.35821513
  O      7.31811330      4.53763066     -8.15250236
  H     12.99549325      6.84558029    -13.24489688
  H     11.25133666      4.62350670     -8.62489045
  O     14.21464422      3.98600173     -8.98355986
  H      9.45362102      8.64670709     -7.52200243
  H     12.67341017      4.37008129     -8.07479266
  O     13.90738301      6.69988212    -11.53835877
  H      9.87598633      9.02078856     -6.08354362
  H      9.51232852      4.24543660    -10.46085701
  O      9.80584029      7.53102649    -13.20819039
  H      5.10833737      6.21312364    -12.24704063
  H     10.26896567      5.55443489    -10.25141202
  O      7.68707144      4.28431641    -10.96325727
  H      6.35284137      7.11987497    -12.11267187
  H      8.08280449      8.20555761    -13.05996364
  O     15.04314094      6.77857652     -8.91952110
  H      8.07164280      4.90835800     -7.66032079
  H      7.42710571      9.25276152    -12.13621197
  O     10.60295532     10.13590606    -12.07326055
  H      6.89394924      3.91505310     -7.56715496
  H     10.25815620      5.22711047     -6.97111280
  O     12.78112482      4.15383258    -11.45685211
  H     14.66780621      4.83702496     -8.97000230
  H      9.56252594      6.56896720     -6.69181806
  O      8.16270436     10.62660447    -10.98671864
  H     13.85750892      3.88979830     -9.87699719
  H     12.29786544      6.52294605     -7.86994618
  O     11.82088503      4.76942613     -7.85416579
  H     13.51941351      5.81174359    -11.51503749
  H     11.79478794      7.90611117     -7.42041042
  O     10.36479172      4.59127415    -10.17845306
  H     14.48284185      6.75430082    -10.76600158
  H      6.54174096      6.19631483     -8.63071814
  O      7.23466631      8.48929302    -12.69216204
  H     10.68643226      7.30950246    -13.54868483
  H      6.02590509      6.85149567     -9.92253758
  O      9.39815567      5.62378257     -6.77497225
  H      9.82354006      7.39600655    -12.24720547
  H     11.75269608      3.34025352    -14.80556858
  O     12.53094380      7.46414098     -7.86100936
  H      7.54253733      4.26269864    -10.00714376
  H     10.81815223      4.11940939    -13.85045256
  O      6.26877331      7.04206842     -9.00790558
  H      7.07502192      4.95819238    -11.28995670
  H      8.67456482      4.44590619    -12.64810620
  O     11.75108297      3.94058203    -14.06499758
  H     14.24921008      7.08591671     -8.45407049
  H      9.25445350      5.64784734    -13.42386647
  O      9.20376859      4.68455834    -13.41745218
  H     15.78890947      7.18004641     -8.47951273
  H      7.52235353      8.25348548     -8.85793623
  O      8.31197462      8.81798917     -8.85316912
  H     11.30097612      9.81740959    -11.48519292
  H      8.19337676      9.51530050     -9.50985222
          69
 Energy    -249.38889641678981     
  O     -4.75358601      3.29130538     -1.22943174
  H     -3.91127078      3.17345389     -1.68725668
  H     -5.73312622      1.21973564      3.48638260
  O     -4.10393433      3.60198068      1.43640366
  H     -5.28963385      2.52760334     -1.47263427
  H      2.24344273      1.53648228      2.27726225
  O     -1.15577310     -2.10922732      2.20684929
  H     -4.40639938      3.52708409      0.51846068
  H      1.21015113      0.50783290      1.74026486
  O     -0.42525396     -0.43732905     -1.28934251
  H     -4.46517539      2.84948220      1.91475117
  H     -0.12606422      3.84441228      0.62072056
  O     -3.69532292      0.21298593     -3.21808621
  H     -0.33462430     -1.78824762      1.80185185
  H      0.84754772      2.67129645      0.90215051
  O     -3.09034345     -2.42119435      0.09238762
  H     -0.91204873     -2.87063170      2.73003638
  H      3.56412318      0.22706150     -0.64832370
  O     -2.27348833     -2.15690148     -2.46382241
  H     -0.93837820     -1.07374550     -1.80060252
  H      3.91634400      0.32654500      0.84266737
  O      0.64528710      1.97521848     -2.13703107
  H     -1.05284505      0.02539217     -0.70966362
  H      3.93926770      2.50741214      1.34945477
  O      1.08992357     -1.10763529      0.88575968
  H     -3.11584615      0.95017162     -2.98344581
  H      4.78616063      2.15146104      2.59666384
  O      3.35513750      1.51562733     -2.08759247
  H     -3.20855230     -0.59874260     -3.03396300
  H     -5.20921343      0.53710062     -2.45419863
  O     -2.83382134     -0.11340261      3.52823154
  H     -3.74359286     -1.72536072      0.25314188
  H     -6.75671271      0.60804787     -2.41872081
  O     -5.08660740      1.19645573      2.78608348
  H     -2.44695392     -2.36073116      0.80775209
  H     -1.36865319      2.93861438      2.58972455
  O      1.30027107      1.38005248      2.14848805
  H     -2.26877137     -2.99331290     -2.92053904
  H     -0.32198591      1.79824617      2.75279072
  O      0.63444864      3.36927214      0.26592407
  H     -2.59785522     -2.32786816     -1.56006783
  H     -4.99934129      0.28100763      1.19967152
  O      3.61333094     -0.29015997      0.16522754
  H      0.60148289      2.50730503     -1.32708477
  H     -5.22930471      0.14718512     -0.34253929
  O      4.06468787      1.84628967      2.05413609
  H      0.30992558      1.09235899     -1.91779681
  H     -3.02650485      0.61304307      0.33324506
  O     -5.97539874      0.77502032     -1.89949093
  H      0.59814486     -0.94640352      0.06631234
  H     -1.90724859      1.34738093      1.13387706
  O     -1.26260397      2.01191516      2.83541892
  H      2.02602996     -0.99570950      0.66300727
  H     -2.22229368      2.02234504     -1.26040653
  O     -4.69393164     -0.16396499      0.39863110
  H      2.40430475      1.67167137     -2.21507239
  H     -1.29225522      2.45034315     -2.40799394
  O     -2.14479948      1.00371504      0.26665236
  H      3.74498205      1.47787485     -2.95743608
  H     -2.51777837      4.23916227      1.51412838
  O     -2.21897170      2.39540449     -2.15591191
  H     -2.25915942      0.66386838      3.44717675
  H     -1.62047048      5.42295299      1.93825289
  O     -1.59104646      4.52381967      1.62235903
  H     -2.34536845     -0.83415302      3.11717730
  H      2.51677435      3.68054770      0.04665195
  O      3.46086587      3.48714942     -0.02333759
  H     -4.32300630      0.69438387      3.12510776
  H      3.55046850      2.90707607     -0.79073948
          69
 Ord_Energy   -249.388870    
 O    5.72585726      -2.20146036       5.42637634    
 H    5.45670700      -2.25614810       6.35389566    
 H    5.53560066      -3.05924129       5.02791452    
 O    2.16567039       2.17999458       9.23751354    
 H    3.01068234       2.63500118       9.40416718    
 H    1.58353007       2.41288018       9.95562744    
 O    4.71033525      -4.58705759       4.35985422    
 H    4.03693628      -4.09740734       3.85346675    
 H    4.99021053      -5.31801414       3.81639409    
 O    7.33686972       1.68967508E-02   5.35766506    
 H    6.87900925     -0.835047662       5.28662062    
 H    6.92780733      0.616355836       4.72217226    
 O    2.81611371      -3.01274133       3.21304321    
 H    2.10315204      -3.01417470       3.86456370    
 H    3.17727137      -2.11690044       3.22632122    
 O    4.58472395       3.34725094       9.63137531    
 H    5.31831694       2.75140119       9.83078480    
 H    4.90725708       3.96679902       8.96566391    
 O    4.30273104       3.09851146       5.81668758    
 H    4.73392963       2.40497518       6.34109259    
 H    3.34803653       2.97563028       5.92065668    
 O    1.69668889       2.48807979       6.39233685    
 H    1.58360398       1.58049643       6.07964611    
 H    1.73443544       2.43739295       7.35564232    
 O    5.55080366       1.09780812       7.23350525    
 H    5.98937511       1.31662965       8.06490326    
 H    6.21222639      0.721395969       6.64089251    
 O    1.88277864     -0.278230548       5.77082443    
 H    2.34453511     -0.290001243       6.62237453    
 H    1.47822702      -1.14824259       5.66850948    
 O    7.84746361       3.42890024       4.06518269    
 H    7.09491062       2.86975503       3.82045150    
 H    8.40154457       3.47368598       3.28948045    
 O    5.65440512       1.73746443       3.79368305    
 H    5.07871675      0.974973261       3.64796782    
 H    5.15515709       2.32283950       4.38255835    
 O    9.16399574       2.32119775       8.69423485    
 H    8.78337002       2.88270164       7.99272251    
 H    9.93340015       2.77621198       9.02407455    
 O    7.99957848       3.83278966       6.82734013    
 H    7.18375874       4.29560614       7.04898739    
 H    7.99825048       3.70969772       5.86838627    
 O    7.15822744      -1.35457373       9.50223446    
 H    7.64697695      -1.88407576       10.1277094    
 H    7.79697227      -1.06012011       8.82709503    
 O    6.71303129       1.47886944       9.75436974    
 H    6.78959894      0.521142483       9.84726715    
 H    7.59024191       1.80900395       9.51286221    
 O    3.29710746     -0.136513546       8.15589619    
 H    2.83102226      0.547521055       8.65162849    
 H    4.09297466      0.287964106       7.79571915    
 O    1.08595598      -2.96732163       5.50012159    
 H    1.78100121      -3.41520572       6.01467419    
 H   0.271752715      -3.43187904       5.67428780    
 O    4.89570379      -2.36721087       8.09937000    
 H    4.24182367      -1.66178155       8.21767521    
 H    5.66559696      -2.11069727       8.62119770    
 O    3.99759603     -0.518540323       3.94960785    
 H    3.24327064     -0.318629354       4.52215290    
 H    4.58400297      -1.08870792       4.46663857    
 O    8.85958672     -0.311641306       7.67245960    
 H    9.10200024      0.573965132       7.97104120    
 H    8.48650169     -0.204559088       6.78686810    
 O    5.44884157       4.97321367       7.42504025    
 H    5.19362164       5.87107992       7.22799349    
 H    4.99845648       4.40515661       6.77570915    
 O    3.17303658      -4.19153357       6.75718021    
 H    3.75068378      -3.68548131       7.34263992    
 H    3.72754407      -4.48603249       6.02369499    
          69
 Energy    -249.38869681202783     
  O     -3.15096855     -0.70320191      3.09624483
  H     -3.58330546     -0.32725019      2.31283779
  H     -5.87984199     -2.59478237      1.38832673
  O      0.51603562      3.05210036      2.55214261
  H     -2.90126388      0.05682853      3.63633113
  H     -2.08848457      1.78830791     -0.22351974
  O     -1.35986559     -1.73034326      1.30663494
  H     -0.36034928      3.45827170      2.52231581
  H     -3.14892972      2.83582787     -0.72658460
  O     -4.90494309      0.74887401     -2.68191321
  H      0.51830727      2.48505218      3.33334071
  H      2.16563433      1.79905969      0.16541382
  O     -2.56185244     -0.80937627     -2.47030409
  H     -1.92690621     -2.25571084      0.72419673
  H      1.04821489      2.10989317      1.18859400
  O     -4.45425144      0.65254368      1.07810330
  H     -1.92351984     -1.44020536      2.03945406
  H     -4.25930762      2.28090903      4.52678992
  O     -6.58429001      0.83111466      2.89478555
  H     -4.10891309      0.20167644     -2.69144209
  H     -5.03491471      3.44067870      3.86051198
  O     -7.87124747      1.69241514      0.47838060
  H     -5.52199171      0.30745233     -2.08359139
  H     -2.99292836      4.29012037      2.56132662
  O     -2.42737914      1.71048429      4.32666473
  H     -1.96380303     -0.37315863     -1.84130463
  H     -2.30403530      3.35683838      1.54590891
  O     -4.44049196      3.30073097     -1.96437174
  H     -2.01029538     -1.18471390     -3.15336729
  H     -5.13540560      5.74629223      2.76790945
  O     -6.35345551     -0.37936656     -0.56934477
  H     -5.11335103      0.89927044      1.74314599
  H     -5.20684154      4.51525332      1.83443350
  O     -5.94334326     -2.93768999      0.47820900
  H     -3.94534148      1.42871852      0.81876256
  H     -6.17446122     -0.99529222      3.01718470
  O     -2.65445633      2.52601095      0.04192475
  H     -7.18616632      1.25684362      2.27633329
  H     -4.81333424     -1.67196868      3.19980842
  O      1.32704737      1.48636552      0.49353704
  H     -6.20362317      1.49856457      3.48763584
  H      0.85710074      0.83720959      5.34300409
  O     -5.14724692      2.61686264      4.35052656
  H     -7.44115045      0.93157866      0.05340260
  H      0.50612556      0.40298840      3.90129452
  O     -2.19715367      3.76445320      2.41971906
  H     -8.78146155      1.68708755      0.19284435
  H      1.18108542      0.02683293      1.78817431
  O     -4.77843079      4.87253152      2.63251315
  H     -2.34481716      2.40569079      3.65782995
  H      0.20511352     -1.12172378      2.10832432
  O     -5.73054736     -1.85280358      2.95773927
  H     -1.52407543      1.47878046      4.57658624
  H     -3.16480936     -2.19294713     -1.18239615
  O      0.30085551      1.05095161      4.59875585
  H     -4.39843265      3.85975900     -2.73522155
  H     -4.12751199     -2.85735804     -0.16815187
  O      0.89873665     -0.56817362      2.49240831
  H     -4.64363612      2.40073744     -2.27788920
  H     -1.15592478     -0.35414821      0.14978967
  O     -3.20287093     -2.80218328     -0.43676674
  H     -6.38942309     -1.31752095     -0.34897368
  H     -0.16174066      0.75424228     -0.28983551
  O     -1.01182627      0.34807863     -0.50285707
  H     -5.60662258     -0.02991772     -0.05335140
  H     -5.47969447      3.69262916     -0.41705608
  O     -5.94818631      3.80383414      0.41877571
  H     -6.35751555     -3.79430378      0.53815566
  H     -6.64834980      3.14044220      0.42596083
          69
 Energy    -249.38767571244210     
  O     13.30790863      9.88805524    -15.99302187
  H     13.92292145      9.20994244    -16.29199287
  H     16.49358951     10.67180189    -17.82710412
  O     17.37278976      6.66378913    -13.38681612
  H     13.82948428     10.68621448    -15.84550867
  H     16.39863256      9.66612778    -14.11553218
  O     18.08735545     10.49662995    -11.65441704
  H     18.04008910      6.88853755    -12.72631069
  H     17.54749974      9.45445277    -15.14387165
  O     18.99292806     10.26064730    -15.91335269
  H     17.18879049      7.49330044    -13.85631720
  H     12.25668589      9.25073324    -14.77185002
  O     14.71032211      9.15780586     -9.48510433
  H     17.86222824     10.48436941    -10.71508848
  H     10.85183861      8.94564813    -14.19480721
  O     14.89005352      6.54608913    -12.20880522
  H     17.26907347     10.70662234    -12.12729902
  H     17.74286805      8.33943575     -8.99801433
  O     15.72128671     10.93129876    -13.03519430
  H     19.43304954     10.60617220    -15.12612300
  H     18.43470067      7.39760505     -9.99476348
  O     15.37678990      6.36941901     -9.43934650
  H     19.42244304      9.42623086    -16.14732009
  H     12.76904619      7.16614261    -14.46002540
  O     20.01637908      7.68281557    -16.30335354
  H     14.80745664      8.20412907     -9.36902019
  H     13.89984797      6.35805179    -13.80789000
  O     17.75609994      6.14838763    -16.10735283
  H     14.28761413      9.27304589    -10.34582683
  H     19.43252247     10.89292777    -12.77552618
  O     20.99597200      8.26693240    -13.63958671
  H     14.99444750      6.36449702    -11.26711586
  H     20.64310651     11.76880719    -13.16746750
  O     16.78397174     11.38212475    -17.23776187
  H     15.77347136      6.49726575    -12.60292787
  H     18.76035927      8.71485720    -11.66131611
  O     16.81453262      9.01606000    -14.69402288
  H     14.99150391     10.38095537    -12.71270133
  H     19.91083336      7.86426658    -12.25258879
  O     11.78273618      8.80899932    -14.04361057
  H     15.40497997     11.45558872    -13.78250975
  H     16.25597301      9.89911638     -9.17764824
  O     17.87204911      7.40683660     -9.20801562
  H     15.23444815      5.68330837     -8.79297432
  H     17.15172473     10.75130082     -8.24731927
  O     13.46410112      6.52645197    -14.65397610
  H     16.30292237      6.65703845     -9.34507969
  H     15.64254999      8.52003501    -17.99456748
  O     20.12478451     11.01765406    -13.44575697
  H     19.22742247      7.11494169    -16.27484049
  H     15.40327328      8.93012486    -19.45474230
  O     19.16716138      7.83839950    -11.63332888
  H     20.58578176      7.32132366    -16.97807618
  H     14.23176462      8.24410177    -12.20015802
  O     17.17014553     10.20136051     -9.02588775
  H     16.90106479      6.45295443    -16.42664184
  H     13.03697769      9.08740072    -12.70472362
  O     15.91298171      9.15135634    -18.67880707
  H     17.65963457      6.07404251    -15.14666896
  H     15.62829844     11.91862530    -16.09360832
  O     13.83359065      9.12678889    -12.16184833
  H     20.85998099      9.22213564    -13.61148273
  H     14.66885823     13.04474164    -15.64002396
  O     14.94681954     12.15555364    -15.43722473
  H     20.72026796      7.98537979    -14.52012964
  H     15.77112112      8.16228168    -15.83550966
  O     15.20592005      7.66334008    -16.44708056
  H     17.63711546     11.10355851    -16.88144873
  H     14.58087464      7.15771370    -15.90603361
          69
 Energy    -249.38759112595972     
  O     15.63510317     10.25325610    -16.64760477
  H     15.55390482      9.74241654    -17.46173269
  H     20.53321330     10.46209825    -17.43678299
  O     15.92025517      5.15872279    -13.76631927
  H     14.77242326     10.25584736    -16.20916840
  H     16.52321576      9.17498209    -15.44478313
  O     17.21533420     13.36070692    -11.03537685
  H     16.43097416      5.32624711    -14.56954996
  H     16.36572523      8.49537638    -14.04685165
  O     19.66574639      8.69975736    -14.47295944
  H     15.08879720      5.62230439    -13.89026785
  H     13.30481470      9.08812876    -14.87364443
  O     14.84094524      6.59242322    -16.89291343
  H     17.91335104     12.89312750    -10.55854580
  H     13.70148778     10.46848358    -14.29791563
  O     16.76618001     10.11147099     -9.26280028
  H     16.38462401     13.01394526    -10.68764265
  H     17.62563280      7.04714083    -11.18415738
  O     15.16957883      8.36754109    -12.63420230
  H     18.69769060      8.67325200    -14.54601443
  H     16.50894911      8.05870866    -11.52407205
  O     17.38296633     11.81583838    -13.31465800
  H     19.96446258      9.12112077    -15.28727167
  H     14.00251065      6.89670713    -15.40526061
  O     19.58479162      5.87579946    -14.24564203
  H     14.95704343      7.22464065    -17.61291776
  H     12.74497680      6.58438535    -14.55492084
  O     17.47897279      6.12360249    -15.96856438
  H     15.71996664      6.22630541    -16.73288780
  H     19.23631842     10.98939629    -10.68544290
  O     17.93412517      5.35220472    -11.90551685
  H     17.59811849     10.59998266     -9.30582882
  H     20.02277595     11.66038020     -9.53604287
  O     19.86078020      9.98092065    -16.96245699
  H     16.92864136      9.27449527     -9.71602905
  H     19.45873903      9.49972705    -12.85173805
  O     16.93197580      8.55722626    -14.82404058
  H     14.93850890      9.30853175    -12.64945601
  H     18.47694707      9.17848477    -11.68917758
  O     13.37737376     10.02087398    -15.09333403
  H     14.53191588      7.89216155    -13.17933596
  H     14.28361946     12.08889782     -9.45712080
  O     17.32606138      7.94777645    -11.01366742
  H     17.93729769     11.11574781    -12.94756696
  H     15.49980590     11.19576642     -9.79966035
  O     13.59438846      7.01880785    -14.52849185
  H     17.34971582     12.51055101    -12.64067797
  H     18.16719388      7.22193863    -17.47615541
  O     19.14754154     11.55656141     -9.90020037
  H     19.79307123      6.82032607    -14.26093021
  H     18.81033092      8.60544295    -17.74892360
  O     19.04293030      9.87000834    -12.06229552
  H     19.17865883      5.70307950    -13.38834386
  H     15.61465981     11.34062477    -13.13130641
  O     14.88455934     11.85898233    -10.16072507
  H     18.28745404      5.87110775    -15.49746451
  H     14.63316468     11.38658033    -11.93627720
  O     18.21129675      7.94237704    -18.11467838
  H     17.22750646      6.99114534    -15.60729397
  H     17.82061066     11.84325749    -15.12976118
  O     14.73382830     11.06206097    -12.84047982
  H     18.03596547      4.52505440    -11.44043683
  H     17.10571450     11.32146261    -16.38550549
  O     17.95267022     11.66644124    -16.07022107
  H     17.17019250      5.24505474    -12.49834668
  H     16.60480578      8.31053837    -18.67219413
  O     15.66114348      8.49471000    -18.83415473
  H     19.20538602     10.63704493    -16.66000156
  H     15.55215313      8.58388010    -19.77672658
          69
 Energy    -249.38747666761566     
  O     16.35295859     10.17202947    -15.17586693
  H     17.21150083      9.80804535    -15.43216694
  H     14.28043770     12.33630885     -9.30595680
  O     16.33443309      7.13239688     -9.64698380
  H     16.41798897     11.12826145    -15.07105709
  H     17.64319647      3.87761405    -16.14014947
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  H     14.59558104      5.76245219    -16.55058985
          69
 Energy    -249.38686827199513     
  O     -0.68658833      3.22369646      2.56368185
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  H      0.35160101      8.08563330      1.45019920
  H      2.11985766      7.50171715     -1.56209950
          69
 Energy    -249.38684520300609     
  O     16.12336450     10.55594139    -11.00428348
  H     15.97629227      9.90741842    -10.29746062
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  H     15.42189192      5.97011863    -13.14632430
          69
 Energy    -249.38678621287283     
  O      0.76851643     -3.06600861     -4.02205738
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          69
 Energy    -249.38650713630764     
  O      0.92986650      1.62927371      1.04305995
  H      0.45868770      2.06917323      0.32677265
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  H     -1.87096234     -1.33599062      3.60257496
  H     -2.33562581      3.93097741      1.31438089
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  H     -6.19525257      2.05219757      3.20461572
  O     -0.61420724      2.10842483      6.32219849
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  H     -4.00743246     -2.09280534      3.03657946
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  H     -5.84583270     -0.44203796      2.97423626
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  H      0.57420985      1.83501136      2.81000528
  O     -6.06658802      2.96696951      2.91892818
  H      0.11186846      2.07166236      6.94001750
  H     -0.25834333      0.90133666      3.70825484
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  H     -0.21443518      2.04555699      5.44077474
  H     -2.38836289      1.68683641      6.23786487
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  H     -1.27569458     -0.27444423     -0.33040751
  H     -3.69460496      2.34067125      5.74466588
  O     -3.43707715     -2.38905555      3.76090224
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  H     -5.08888106     -4.37838877     -0.55676615
  O      0.17753470      1.76564844      3.69075306
  H     -5.14972073     -2.42138654      1.13691102
  H     -3.91903930     -3.36572145     -0.53036664
  O     -3.33295299      1.52454975      6.10582467
  H     -4.95253787     -0.89626790      1.05193952
  H     -1.14951400     -3.97954702      0.95558585
  O     -4.59221892     -3.80499205      0.02054144
  H     -3.29422095     -4.31213639      1.34437154
  H      0.12299913     -4.45420320      0.21262781
  O     -0.46549903     -3.71151116      0.31574550
  H     -2.77948994     -3.79529440      2.70107423
  H     -3.60514304      0.92515675      1.64834306
  O     -3.38294787      1.10173477      2.57108766
  H     -0.37595733      3.27064028     -1.77880488
  H     -4.18326577      0.91939612      3.07762408
          69
 Energy    -249.38581359346040     
  O     13.49279857     13.38803798    -14.52720556
  H     14.24031427     13.77384878    -14.99959893
  H     15.63555622      9.18170788    -19.89380402
  O     19.29021099     10.59871195    -11.92637867
  H     13.15437689     12.69282203    -15.10458948
  H     16.17931150     11.48289871    -12.91527559
  O     17.78268714     13.90443743    -14.14193002
  H     18.79411086      9.78984355    -12.11197605
  H     16.50610581      9.95456052    -12.99121412
  O     15.80377232      6.31309029    -12.96171839
  H     19.45695027     11.02706387    -12.77406637
  H     13.98216282     11.45034090    -16.64166594
  O     15.94850831      9.53389599     -9.98310623
  H     17.30918998     13.70816159    -13.32110418
  H     12.89467302     10.37071842    -16.74620701
  O     14.36834006      7.30184249    -10.88562905
  H     17.10969662     14.05285955    -14.81583891
  H     16.86462623      8.80750757    -11.37048464
  O     13.61229447     13.34919172    -11.82198824
  H     15.24527176      6.58916211    -12.21230053
  H     16.95967287      7.76531043    -12.52308762
  O     13.09314425      8.69425634    -17.44801094
  H     16.03175590      5.39895968    -12.81294041
  H     12.59983513      9.17201724    -12.64446401
  O     16.69810086      8.29965082    -17.01261437
  H     15.12253616     10.02684857    -10.11983882
  H     11.27124267      8.63987633    -12.05339455
  O     14.63782044      7.53392179    -15.24842350
  H     16.61290697     10.19779838     -9.76644276
  H     15.46132301     13.18924809    -11.72359533
  O     17.56100665     10.63503212    -15.71464507
  H     13.55062084      7.74636641    -11.14353167
  H     16.80058415     12.64308372    -11.10434787
  O     15.36629946      9.49345099    -19.03434253
  H     14.87978205      7.95139414    -10.38780477
  H     19.03494035     12.72365948    -14.32585740
  O     16.04570060     10.68111146    -13.43477677
  H     13.07671800     14.07255702    -11.50629906
  H     20.49697970     12.35402483    -14.67948629
  O     13.10786928     11.20823104    -16.30793601
  H     13.52596543     13.34154245    -12.79191924
  H     18.44668175     11.31498229    -10.58624775
  O     17.33804486      8.58588955    -12.18817615
  H     13.77121983      8.89561213    -18.10578590
  H     18.41054853     11.97040178     -9.18355322
  O     12.17334718      8.85153965    -11.82967225
  H     13.51939462      8.11510525    -16.80473369
  H     15.55057801     11.12685021    -18.10189717
  O     16.39229470     13.00391840    -11.90120473
  H     17.15215325      9.01510342    -16.54797561
  H     16.39119390     11.39584765    -16.83358771
  O     19.65914009     11.98042236    -14.42003499
  H     16.03114278      7.96402447    -16.39802256
  H     13.53493131     11.69238033    -10.92362061
  O     17.85424804     11.66050747     -9.89300827
  H     15.02195152      6.99711303    -14.54475094
  H     12.98040068     10.25066468    -10.83744701
  O     15.69058827     11.76629280    -17.39273968
  H     14.23868645      8.29439165    -14.80360792
  H     15.72434817     13.39885471    -16.66873726
  O     13.60987022     10.86304674    -10.43733998
  H     16.97741330     10.64775322    -14.94046344
  H     15.68054125     14.94085882    -16.73669118
  O     15.72308314     14.20645297    -16.12831511
  H     18.39373317     11.01935014    -15.41960953
  H     14.39688948     10.13969141    -13.70304044
  O     13.53714899      9.78529163    -13.97598766
  H     15.89809567      9.00593752    -18.37727368
  H     13.27515574     10.28628341    -14.75844831
          69
 Energy    -249.38497870396509     
  O     16.77616814      5.55817778    -12.68016328
  H     17.51381585      6.11959437    -12.39823090
  H     21.22086497      7.62441786    -14.56723379
  O     17.81323378      9.95872355    -11.70050077
  H     16.05049626      5.67162339    -12.05029604
  H     14.65495528      9.62393921    -16.17640895
  O     16.59122078      9.36782529    -15.94646159
  H     16.88680156     10.08739875    -11.95025608
  H     13.37464714      9.96585760    -15.38158594
  O     13.40462366      6.81128904    -15.37158275
  H     17.85304243     10.01637981    -10.73772673
  H     16.07560860      6.98335410    -13.58649153
  O     15.42581398      8.60443767     -8.24657969
  H     16.28076315      8.73807080    -15.27767099
  H     14.82548679      7.38765454    -14.42160876
  O     14.68721220      6.09241439    -10.93521471
  H     17.35435896      9.80105222    -15.53964701
  H     10.51981936      8.69678742    -11.89106512
  O     15.17476764      9.98703232    -12.51179837
  H     13.36654862      7.69660247    -15.76280739
  H     11.74801123      7.91407073    -12.41136109
  O     17.09352992      7.44763081    -17.82428388
  H     13.95845400      6.25794617    -15.94332546
  H     18.40325729      7.96284608     -9.05789091
  O     16.16715193      5.83668733     -8.55918405
  H     14.75051082      8.72308131     -8.92862862
  H     18.72859704      7.01923472    -10.22461238
  O     18.90382416      6.14387908    -16.07568927
  H     15.58988388      7.65464306     -8.20400127
  H     13.17202103      6.06888405    -12.27869045
  O     17.13475352      4.18448207    -15.00881147
  H     15.11581657      5.86139023    -10.10021370
  H     12.72694383      6.41920839    -13.73254430
  O     20.29200986      7.69968094    -14.36625136
  H     14.38005661      7.00221353    -10.82115744
  H     18.52430772     10.25305193    -13.49424824
  O     13.70419983      9.46089453    -16.13432034
  H     14.43533884     10.43383675    -12.93873434
  H     19.35108860      9.38573052    -14.45518720
  O     15.60891988      7.73204612    -13.97128110
  H     15.33597664      9.17727320    -13.02406414
  H     18.39712306      8.24936931    -11.95059510
  O     11.43393788      8.79784508    -12.14237910
  H     16.92190576      8.19687590    -17.22848563
  H     19.38063404      7.40325252    -12.79415886
  O     18.49765130      7.02982695     -9.28632496
  H     17.12770807      7.80153094    -18.70909031
  H     18.05948439     10.38929478     -8.18877208
  O     12.43882064      6.39982505    -12.80751363
  H     17.03879573      6.18763044     -8.81696369
  H     16.91808341      9.43718074     -8.61753663
  O     18.76332877     10.15076741    -14.42352817
  H     16.32487490      5.16465102     -7.90171114
  H     15.86075552      6.09482901    -17.25054686
  O     18.76017351      7.35769225    -12.05622569
  H     18.37713151      5.40803509    -15.74139528
  H     15.87457390      4.93715690    -16.23493858
  O     17.79000477      9.78585791     -8.87611913
  H     18.36392011      6.57453338    -16.75015990
  H     12.88201725      8.78414841    -10.85492193
  O     15.29301021      5.45271429    -16.80681677
  H     17.23944192      3.24937596    -14.85258392
  H     14.33137240      9.23051396    -11.11645803
  O     13.77319837      8.74289088    -10.49268534
  H     16.99069329      4.59933069    -14.14128808
  H     12.22722490     10.06846895    -13.20076797
  O     12.73126061     10.72217837    -13.71137132
  H     19.81979783      7.13425795    -15.00363731
  H     12.21188657     11.52300550    -13.72205696
          69
 Energy    -249.38492116500680     
  O     10.14030760      9.84598362    -12.04738134
  H      9.40203202     10.26630888    -11.61526121
  H     18.38362441      6.88026363    -14.99864776
  O     14.60066299      7.68480754    -15.39479808
  H     10.15974779      8.92247165    -11.73841587
  H     17.29569552     11.59856040    -14.52371482
  O     17.13522438      9.55298173    -10.01276953
  H     15.19464163      7.91760688    -14.66344396
  H     15.85048352     11.98958338    -14.88774137
  O     18.74685731     10.65795513    -15.35233965
  H     15.14899622      7.51373103    -16.16883653
  H     15.98961711      7.79840840    -12.41196183
  O     13.03915801      9.92175095    -15.17446238
  H     17.32218581     10.10877638     -9.26036432
  H     15.88438860      9.27919606    -12.83055007
  O     13.47170520      5.88058496    -13.63485953
  H     16.62074810     10.09375835    -10.63635906
  H     11.39052706      7.24593195    -11.18649117
  O     15.57553804     10.82786239    -11.87133224
  H     18.83713258      9.84569460    -14.82525363
  H     10.38585008      6.70924700    -12.21151571
  O     16.72508022     10.12203793    -17.28255896
  H     19.62832142     10.99564701    -15.48884076
  H     16.89470791      5.88529334    -10.79544312
  O     16.28026668      4.98770759    -13.65103581
  H     13.54694250      9.10865607    -15.31742611
  H     17.69616553      4.60539101    -10.45285653
  O     18.73509125      8.38350834    -13.86345074
  H     13.51800413     10.62460011    -15.62931914
  H     10.05203468      5.60056736    -14.55769935
  O     16.43559759      7.31040685    -17.48446022
  H     13.81687068      6.44348243    -14.34452929
  H     10.62049388      7.02305104    -14.34515606
  O     17.90096655      6.23538861    -15.52826810
  H     12.52440284      5.79064214    -13.79980408
  H     18.76509760      6.88054426    -11.16142915
  O     16.47975727     11.96032521    -14.15709086
  H     15.89789514     11.34845713    -12.62467439
  H     18.56888881      8.36461020    -10.77831361
  O     16.05781143      8.39106326    -13.16861585
  H     14.61569984     10.74336521    -11.94935484
  H     16.15380078      7.99477024    -10.20089447
  O     10.44595139      7.21854436    -11.39379102
  H     17.48611792     10.26686370    -16.70628306
  H     14.82481996      7.29626943    -10.66384297
  O     17.60226745      5.29279962    -11.10788910
  H     16.65853191      9.16936369    -17.42049870
  H     15.42155444     11.15149852    -16.80934614
  O     10.67707522      6.09991174    -14.03882054
  H     15.33498536      5.11280835    -13.51570273
  H     14.60196638     12.43735354    -17.07695707
  O     19.17024097      7.75485642    -11.22155274
  H     16.70191737      4.98782427    -12.78329502
  H     13.33702632      6.95154062    -12.17916411
  O     15.77271125      7.16647196    -10.52004947
  H     17.77729683      8.37596602    -13.71492306
  H     13.17458027      8.44758454    -11.76880783
  O     14.74664170     11.74751863    -16.43490989
  H     19.11613711      8.18085829    -12.99859459
  H     11.98228616     10.22494789    -12.19996370
  O     13.23772532      7.54786830    -11.42110327
  H     16.43043503      6.75127827    -18.25601587
  H     12.98296621     10.12984008    -13.37842542
  O     12.92247501     10.17738891    -12.41241485
  H     17.02395358      6.88648993    -16.83143355
  H     10.28001456      9.20754634    -13.87684421
  O     10.53561791      8.74357955    -14.68319383
  H     17.34624338      5.73413355    -14.91136292
  H     11.33511574      9.18712436    -14.99659361
          69
 Energy    -249.38490897422236     
  O     10.57933671     10.33287359    -12.50674045
  H     11.33999129     10.80196665    -12.87242709
  H     15.23917104     13.25937381    -15.53175053
  O     14.11457680      7.09344454    -15.10880086
  H     10.25462950      9.75348123    -13.20758564
  H     16.35159910      9.50379308    -14.31346626
  O     17.23795931     10.38854875    -10.25025897
  H     13.44306331      7.77019665    -15.27529493
  H     15.24172738      8.39667586    -14.40299745
  O     18.59492947      9.87733321    -17.16634685
  H     13.98114700      6.75667204    -14.21208848
  H     10.17479464      8.71205539     -9.80091482
  O     12.38361694      9.20413700    -15.40836548
  H     16.98262678      9.48159352    -10.00224615
  H     10.73993581      9.26910513    -11.13062121
  O     13.98401863      6.30551447    -12.42386981
  H     17.55046583     10.81329783     -9.45591776
  H     16.45583868      7.53284275    -12.80287642
  O     14.83197313     10.38686852    -11.73013605
  H     19.18874810     10.18297012    -17.84567891
  H     17.73910158      6.76615761    -12.48903473
  O     16.32173083      8.89935870    -18.17211159
  H     17.78479836      9.56623848    -17.61358813
  H     12.02843911      6.32464244    -12.54752672
  O     17.35293740     10.94555774    -14.90457536
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  H     10.99493012      7.15461212    -11.75584696
  O     16.15510229      6.39773946    -16.78124678
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  H     14.93447694      6.14288004    -12.37771682
  H     18.28898213     10.25540973    -11.83919376
  O     15.02845234     12.35242665    -15.32311400
  H     13.81613469      6.96712106    -11.73556470
  H     19.15043834      7.37620860    -14.06832398
  O     15.79641563      8.90429421    -13.80038139
  H     15.16258713      9.85548737    -12.47372260
  H     20.27630963      7.00366459    -13.07434816
  O     10.84981422      8.57203416    -10.45912470
  H     15.60247484     10.58988326    -11.18750320
  H     16.58194248      7.38450002    -10.56184424
  O     16.79147026      6.76791421    -12.31034188
  H     15.53757691      9.41061550    -17.92027006
  H     15.37775519      7.90399568     -9.76303262
  O     11.11306732      6.62661653    -12.55640749
  H     16.20018631      8.01035759    -17.82027789
  H     13.46724830      9.94060160    -16.76317764
  O     18.74045153     10.16738277    -12.68735338
  H     17.90903173     10.78160295    -14.12635368
  H     14.45715366     11.11258652    -16.68597906
  O     19.40577480      7.38839606    -13.12726065
  H     17.83767213     10.65238927    -15.68659080
  H     13.96488183      9.04884987    -10.85737458
  O     16.34317618      7.87216425     -9.76124095
  H     15.39573868      6.57970956    -16.20270895
  H     12.67578820      8.37574306    -10.30774913
  O     14.18967153     10.36926568    -17.23868368
  H     16.01278572      5.53081905    -17.15336447
  H     13.61056317     11.76207313    -14.21402627
  O     13.62095533      8.24248163    -10.44555542
  H     18.71559625      8.24196810    -16.20966114
  H     13.58504260     11.03999906    -12.85821244
  O     13.02979319     11.27514045    -13.61607224
  H     17.79958836      7.01330607    -16.03390677
  H     10.35393301      7.60403525    -13.79507953
  O      9.96918137      8.26114881    -14.40294951
  H     15.87274902     11.90760065    -15.13642039
  H      9.16232635      7.88571649    -14.74398824
          69
 Energy    -249.38448321541742     
  O     -5.85274195     -0.08978699     -0.02819109
  H     -5.93533423     -0.29847014      0.91127888
  H     -2.58679877      5.27764852      0.49847779
  O     -4.93117913      1.54183340     -4.19177683
  H     -5.48894138      0.80727588     -0.06892067
  H     -5.04433887      3.04420766      0.64817486
  O     -5.68522123     -0.51817143      2.73380146
  H     -4.29268852      0.92422391     -4.56958555
  H     -3.82991241      2.15094738      0.27925578
  O      0.70125317     -0.89812383      0.39715612
  H     -5.56628778      0.99813588     -3.70925219
  H      0.24278801      1.33630214     -1.99011908
  O     -1.72705411     -0.61039243     -0.89912975
  H     -6.25186543     -0.86328308      3.41871679
  H      0.92365409      0.66168890     -0.76941728
  O     -2.82137181     -0.27948627     -4.86703640
  H     -5.32791375      0.32547229      3.06511394
  H      0.38607972      2.86570369     -0.39954608
  O     -3.97954594     -2.14178309     -0.60647980
  H      1.36293066     -1.57470569      0.51161128
  H     -0.61002563      4.07956384     -0.48278640
  O     -1.46700929      1.15131686     -2.92877112
  H      0.24010787     -0.81215034      1.25247292
  H     -5.24849234     -1.53219109     -3.21736118
  O     -3.52345791      3.07411537     -2.41508383
  H     -2.44810020     -1.23936182     -0.77025533
  H     -3.85867696     -1.57048645     -3.87297887
  O     -0.77631737     -0.71892801      2.63914904
  H     -0.92216146     -0.93711182     -0.47824341
  H     -2.02599813      1.68617140      2.39568578
  O     -0.48510376      4.29762834      2.70612222
  H     -2.31091910     -0.43007524     -5.65867200
  H     -1.34487991      2.67428085      3.35218754
  O     -2.85136232      5.29671531      1.42541094
  H     -2.24708683      0.20760892     -4.25351890
  H     -3.42989252     -2.21829484      1.23496245
  O     -4.71879539      2.41829298     -0.00888126
  H     -4.62406917     -1.45661026     -0.38130990
  H     -4.03029439     -1.47713377      2.43394148
  O      0.91757296      1.46116326     -1.31059292
  H     -4.09462473     -2.30831803     -1.55387868
  H     -2.02659699      0.83160906      0.15985452
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  O     -4.45864442     -2.07916274     -3.31468529
  H     -1.59487619      0.47497959     -2.24204359
  H     -4.38610503      4.64143973      1.89657073
  O     -1.83584491      1.84551919      3.33486688
  H     -4.03627627      2.66663503     -3.12828411
  H     -5.85956794      4.87960829      2.30542659
  O     -3.22844273     -1.91753000      2.12944757
  H     -4.00275431      2.87597306     -1.59759427
  H     -6.42320378     -0.21385480     -1.73536325
  O     -2.19276398      1.67128551      0.60784962
  H     -1.60929308     -1.19893214      2.51225380
  H     -7.53723685     -0.41245525     -2.78397441
  O     -5.22998785      4.19603391      2.09329444
  H     -1.00905436      0.10691680      3.07694397
  H     -3.66757867      1.82661670      3.66371843
  O     -6.60033119     -0.25739169     -2.68899344
  H     -0.21460939      4.01244030      1.81546175
  H     -4.87334283      2.65138513      3.16244127
  O     -4.63100747      1.81928267      3.58471297
  H      0.26084945      4.75460773      3.08624332
  H     -2.52818334      4.39014020     -1.78933377
  O     -1.96394897      5.04022007     -1.33724682
  H     -2.07549228      5.03975057      1.93866417
  H     -1.86602283      5.77787630     -1.93437329
          69
 Energy    -249.38400932109764     
  O     16.78655093      9.57605818    -16.14534324
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  H     17.54436774      6.30694902    -16.02828446
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  H     17.04886658      6.39704018    -14.55387187
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  H     17.89614582      4.73991956    -18.97189957
  H     15.37522521      7.30956455    -15.35811082
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  H     16.45803793      6.53754420    -18.94111224
  H     14.53224240      7.99361095    -14.25059841
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  H     13.69433523      3.18407662    -10.51754760
  O     20.14439308      7.00262389    -14.74730069
  H     15.16703352      5.96483713     -9.71526844
  H     14.01520948      1.73500696    -10.07682415
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  H     14.53430467      7.08135728     -8.85292327
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  H     14.08751243      4.42630951    -13.32135021
  H     15.09787804      2.79271489    -12.23501425
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  H     16.25763553      7.31246768    -12.66249214
  H     16.28669199      3.63702341    -12.75636769
  O     14.69379826      7.98242359    -15.20284359
  H     17.64187252      7.91357556    -13.10743283
  H     16.90265830      4.53423281    -10.52066078
  O     14.38217342      2.49379525    -10.52142636
  H     16.22582383      4.46266929    -15.62630800
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  H     15.71319531      3.23311444    -14.83219536
  H     14.06807169      6.61882251    -12.75056986
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  H     13.13064235      5.35587081    -10.23706137
  H     14.44749764      7.35703660    -11.45373996
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  H     12.71457754      4.77892089    -11.60209672
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  H     19.28491615      8.42270771    -14.24669072
  O     18.68925009      9.15412952    -13.99920662
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  H     17.15262224      8.98454300    -19.22620190
  O     17.12274336      8.33735282    -18.52636770
  H     13.83964354      3.52814708    -18.18579424
  H     16.97038657      8.83082941    -17.70074216
          69
 Energy    -249.38375127434631     
  O     15.82318771      9.02960726    -13.39995635
  H     15.66850757      9.53973280    -14.21418705
  H     15.40394754     11.46973294    -15.60239315
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  H     15.16217254      8.34208128    -13.38128100
  H     18.47269044     12.21281645     -9.79652086
  O     20.29738245      9.14063900    -15.06173021
  H     17.97229685     14.51892648    -16.92341336
  H     18.60028566     10.68176637     -9.95440406
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  H     22.11253132     16.18277974    -13.31603968
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  H     21.12009278      8.73267350    -15.31896738
  H     20.62269210     16.54468893    -13.43338996
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  H     20.52127572      9.98964468    -14.64172868
  H     20.69605611     12.37464560    -10.84340660
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  H     20.92154188     10.83787624    -10.89726761
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  H     21.81463281     16.43229612     -9.71344119
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  H     18.52136909     15.10734167    -13.08004623
          69
 Energy    -249.38373200879852     
  O     -5.49097337      1.04989465      0.57371620
  H     -4.94974409      1.73748110      0.15840966
  H     -1.30612362     -1.44446993      4.82500709
  O     -5.91012932      0.65031191     -4.22338232
  H     -5.40535710      1.18645782      1.52457926
  H     -0.43236354      2.69867742      2.95715050
  O     -4.74622699      1.37966139      3.29547417
  H     -6.63763548      0.79926676     -4.82063832
  H      0.95347301      2.34460028      2.38849065
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  H     -4.20402035     -1.62753835      2.31944237
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  O     -4.05278606     -1.41235654      3.25015091
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  O     -1.60279753      3.56793925     -3.98139417
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  H     -1.61054460      4.01544287     -3.11589155
          69
 Energy    -249.38351243061942     
  O     -3.54309126      2.97077034      3.99836546
  H     -4.47930481      2.78365994      3.85416868
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  O     -0.47812396     -0.17098085      3.01462612
  H     -0.03422224      6.07046175      2.21105760
  H     -2.56923722      2.98306363      0.29436263
  O     -3.32450204     -0.79545392     -1.90130698
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  H      0.65592431      2.32678798      1.25705026
  O     -4.09741500      0.73480897      1.37386915
  H      0.03036093      0.40624817      3.59725365
  H     -3.84875208      4.62306852      1.40933853
  O     -5.94576432      2.31406157      2.73370766
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  O     -7.39796904      0.38186003      0.27356809
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  H     -0.86596774      4.47146716      4.09661263
  O     -2.34184173      2.20876953     -0.24047206
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  H     -1.92813789      3.56521880      4.74495780
  O      0.86075246      3.05294695      1.85939191
  H     -6.63248458      1.69352258      3.00364355
  H      1.46482997      1.86280114      5.18241539
  O     -2.99624603      4.18421269      1.51414228
  H     -6.78915529     -0.34057198      0.06716645
  H      0.16785952      2.54312424      4.68550568
  O     -5.78218439      4.61257435      1.26726927
  H     -7.57909978      0.29411362      1.21579952
  H     -8.31377615     -0.20383740      3.68634579
  O     -5.38188883     -1.37268600      3.77583185
  H     -3.14024025      1.15801228      4.09100478
  H     -6.81626261     -0.45513685      3.39746629
  O     -1.00601955      3.84555592      4.81737672
  H     -2.14004583      0.03505081      3.68836467
  H     -1.44804736     -2.15896016      0.77754622
  O      0.82860280      1.86060101      4.47225688
  H     -4.18252405      2.31105610     -3.28023649
  H     -1.24824260     -1.77219026      2.25488350
  O     -7.57533929      0.11425008      3.17486010
  H     -4.85488778      2.16125646     -1.89485189
  H     -0.88815233      1.34864174      0.15958635
  O     -1.72855129     -2.37506251      1.67586009
  H     -4.86097389     -0.63173944      0.52502858
  H     -0.20325233     -0.00578252     -0.08417108
  O     -0.12436468      0.81047312      0.42352674
  H     -5.02149802     -2.16131782      0.60774871
  H     -6.65407356      1.87745245     -0.46203449
  O     -6.15680915      2.60189480     -0.87153647
  H     -3.35409465     -2.96999928      1.88463872
  H     -6.09794913      3.31246740     -0.22735226
          69
 Energy    -249.38315917703085     
  O     12.90251291     11.69555993    -15.10384708
  H     13.70426022     12.08702091    -15.46566818
  H     19.73744536      7.45577873    -14.12348189
  O     16.06799379      6.85198535    -12.37904701
  H     12.99426566     10.74047375    -15.24421878
  H     15.06366834      9.34321090    -17.59908449
  O     18.71720349     10.56821097    -12.44876087
  H     16.32961554      6.13842652    -12.97298572
  H     16.52005981      9.68970467    -17.25053716
  O     17.78239326      8.78442641    -16.23949461
  H     16.88173348      7.18846359    -11.97021775
  H     14.97082245      8.92517786    -14.59028245
  O     13.29451892      8.96469443    -15.17898098
  H     17.95077615     10.98655318    -12.86710220
  H     15.92372892      8.16250124    -13.61388384
  O     15.96136802     11.43940096     -9.22959864
  H     18.77639808     10.91946805    -11.55046807
  H     11.24422074     12.03821697    -12.41069492
  O     14.30218692      8.38829951    -10.88174374
  H     17.11864962      8.78584408    -15.52978131
  H     12.25970766     11.62952807    -13.50660252
  O     16.40757088     11.46993949    -13.68514922
  H     18.61740364      9.01823848    -15.82161725
  H     18.44101817      9.60287488     -8.99023376
  O     16.44922225      6.35997599    -16.69724971
  H     13.35595428      8.32822244    -15.90083327
  H     17.28936448      8.66461999     -8.56981245
  O     15.38765753      8.77283156     -8.37218049
  H     12.79449148      8.60848168    -14.43014226
  H     11.90041983      9.50232564    -12.63242681
  O     17.28232018      5.12151806    -14.25626177
  H     15.72817553     10.61948195     -8.77759437
  H     12.71509101      8.34429987    -12.03993653
  O     19.44212587      6.66565906    -13.65918371
  H     15.42947721     11.44653005    -10.03806218
  H     19.63656446      9.83088208    -13.83655850
  O     15.68479317     10.07698739    -17.54942845
  H     14.86151465      7.78631987    -11.39287605
  H     20.88711790      9.73063283    -14.73394080
  O     15.87595291      8.88531308    -14.24994234
  H     14.45630879      9.28951020    -11.20309578
  H     18.39767957      8.05773793    -10.46364091
  O     11.97924754     11.45830553    -12.58850421
  H     16.22831734     10.53232356    -13.87124512
  H     18.46300070      8.82771406    -11.80763290
  O     18.22729445      8.68109178     -8.80019257
  H     16.16111559     11.94670717    -14.48590163
  H     19.05357354     12.08859083     -9.27600045
  O     12.08971273      8.56138751    -12.74150611
  H     16.65292506      5.84984413    -15.90496103
  H     17.65560965     11.49870306     -9.57790734
  O     20.01982560      9.35830834    -14.59326373
  H     17.05621021      7.11277566    -16.68055449
  H     13.75865588      7.11646204    -18.19585617
  O     18.38981297      7.94428020    -11.42419847
  H     14.95584324      8.56193547     -9.21677735
  H     14.91495559      7.05556428    -17.17350873
  O     18.60698596     11.40468999     -9.76815014
  H     14.84802928      8.38784134     -7.68637164
  H     13.67285984     11.30236433    -11.89102824
  O     14.11520027      7.55039509    -17.42548742
  H     17.51702812      4.19996427    -14.18143026
  H     15.16904849     11.33360532    -12.33197815
  O     14.57315409     11.09491002    -11.61010116
  H     18.10080171      5.63015345    -14.11080854
  H     15.51433699     11.60248057    -16.70196916
  O     15.45548079     12.41771580    -16.17197418
  H     19.20541398      6.97867727    -12.77397351
  H     15.65083475     13.14009546    -16.76282867
          69
 Energy    -249.38291437339390     
  O     12.24585145      9.85008083    -11.45019179
  H     11.61575601     10.56707528    -11.60432451
  H     15.34607148      7.71808481    -13.51564458
  O     13.77390609      6.97645368    -13.67016703
  H     11.80153997      9.16107679    -10.94065408
  H     14.15062280     14.30947280     -8.55930458
  O     10.59278849     12.00279382    -12.08919141
  H     13.13920709      7.64680720    -13.95831273
  H     14.08286087     14.54074133     -7.03144134
  O     14.41958826     10.31676819     -9.90396475
  H     13.49195391      6.68581464    -12.79428483
  H      9.64651249     11.84654009     -9.18309884
  O     15.55813957      7.90398232    -10.52778828
  H     10.42423464     12.27958058    -11.17743652
  H     11.15483919     12.16481877     -9.01315131
  O     12.64787435     15.74397366    -11.62410842
  H     11.35302066     12.50544583    -12.41028267
  H     11.70730322     10.07622640     -7.68497409
  O      8.62224672      8.41978202    -11.00556559
  H     13.67737774     10.18889336    -10.51719864
  H     11.25750607      9.03829232     -6.63427290
  O     12.94440341     13.27475689    -12.89873261
  H     14.94793966      9.50998113     -9.97063927
  H     15.03826375     11.68738417    -10.91766642
  O     14.87424741     14.70105478    -10.08927280
  H     14.80583020      7.30510184    -10.60458159
  H     15.58094988     11.93373649    -12.34981249
  O     11.10762785      7.79340863     -9.92462678
  H     15.89019915      8.01852084    -11.42750686
  H     12.25308334      9.36414327    -13.19319605
  O     11.40149819     15.06803019     -9.30948262
  H     12.44843195     16.64605063    -11.85904507
  H     12.47853774      9.95034780    -14.59905587
  O     16.18739646      8.16765198    -13.32092160
  H     12.13435701     15.54320405    -10.82080263
  H      9.67758249     10.62138038    -12.92698702
  O     13.63585789     14.11092995     -7.75567629
  H      7.81948022      7.94023715    -11.19224368
  H     10.22135560      9.41868143    -13.70972025
  O     10.33153918     12.49597884     -9.39666092
  H      8.87486081      8.87254820    -11.83017117
  H      8.61198985      9.71216517     -9.56626586
  O     11.14771603      9.29364067     -7.54704748
  H     13.70907540     12.93483947    -12.41000515
  H      9.44943956      9.90345630     -8.28616105
  O     15.21840574     12.37819945    -11.56924304
  H     12.80877488     14.18082619    -12.59360463
  H     13.25427236     12.05789258    -15.90861881
  O     12.11399398      9.18581881    -14.13654123
  H     14.25137418     15.17942255    -10.64820825
  H     13.13186312     12.24402845    -14.38177271
  O      9.44654574      9.72996607    -13.22613801
  H     15.15062366     13.92855840    -10.60312682
  H     15.96536847      9.99998391    -13.66501162
  O      8.76356873     10.31363229     -8.82740350
  H     11.14168446      8.22498765     -9.06051158
  H     15.04841389     11.03826998    -14.35790864
  O     13.29418329     11.58767006    -15.07899013
  H     10.20934425      7.89063653    -10.27070712
  H     13.10501518      5.36831999    -10.64950635
  O     15.83546128     10.94607302    -13.80983367
  H     12.09341591     14.86692844     -8.66786849
  H     12.43169586      6.75297990    -10.56093263
  O     13.18322448      6.27333598    -10.94343655
  H     10.84960569     14.27476907     -9.34444106
  H     13.36062621     11.08786658     -8.70807852
  O     12.68303070     11.50108728     -8.15096207
  H     16.87316980      7.66649713    -13.75529600
  H     13.01965567     12.36958092     -7.89698958
          69
 Energy    -249.38278472557442     
  O     14.02560430      9.14413614    -10.46451937
  H     13.73890901      9.74656496    -11.16457931
  H     18.62317665      3.52264547    -12.55094289
  O     13.28630646     10.73946382    -16.32379024
  H     13.32899107      8.48827308    -10.33079895
  H     11.57824526      6.74715459     -9.70669356
  O     16.20393344     11.45029602    -12.83514506
  H     13.02633808     11.48592355    -15.77040965
  H     13.09675899      6.46074060     -9.79870011
  O     13.80491203      4.19942466    -13.80771269
  H     14.20780683     10.89726105    -16.56332351
  H     13.78030147     13.11462679    -14.54051566
  O     17.12005475      6.80032282     -8.57981330
  H     15.29882758     11.14334075    -12.68648854
  H     12.32527079     13.62106647    -14.38772294
  O     15.50341641     13.28522483    -14.83303284
  H     16.69795010     11.36210230    -12.01272335
  H     13.13306770      9.27843802    -15.27913852
  O     15.76751402      7.47758436    -11.92116093
  H     13.26921462      4.98717828    -13.60085980
  H     14.09550601      8.19775448    -14.72055859
  O     13.52320491     10.65285331    -12.70700726
  H     13.19783427      3.52484455    -14.09910706
  H     16.56661463     11.24519890    -17.61819752
  O     18.25030699      8.62905883    -12.27047817
  H     16.85597156      7.73414724     -8.66223698
  H     16.60888009     10.72599621    -16.16604020
  O     17.94455614     10.84883157    -10.68260535
  H     17.47657277      6.69635261     -7.70069268
  H     12.56653880      7.20442544    -13.57294812
  O     16.37181231      4.86827602    -14.92064790
  H     15.74886872     12.76269770    -15.60683600
  H     12.35973447      6.62758154    -12.13980409
  O     17.98882455      4.23442181    -12.57183043
  H     15.86371300     12.80061181    -14.07664528
  H     15.35686865      6.07027583     -8.88282234
  O     12.35841196      6.93668258    -10.22125090
  H     15.62412573      6.54841324    -11.70449241
  H     14.80115291      5.14458224     -9.96953232
  O     12.86313245     12.83443001    -14.36999734
  H     15.16652957      8.01222865    -11.38869957
  H     16.30433732      4.39145162    -11.85399431
  O     13.23863933      8.62391938    -14.57339419
  H     13.41403267      9.91408023    -13.32487494
  H     14.81792284      4.41358295    -12.29909905
  O     16.10366323     11.27785880    -16.78452943
  H     13.17386843     11.43530470    -13.15063531
  H     18.21430154      6.37353241    -10.09148107
  O     12.42295972      6.39060387    -13.07146883
  H     17.39325137      8.20556787    -12.09416002
  H     18.81082704      7.05594040    -11.34267520
  O     14.53649566      5.68357031     -9.20870882
  H     18.21781053      8.92896007    -13.18529921
  H     16.02015823      6.63168826    -14.92853559
  O     15.41607846      4.65140171    -11.57885564
  H     18.16978930     10.05787339    -11.20225095
  H     15.70752150      7.51007939    -13.69581167
  O     18.75489493      6.21295246    -10.87576550
  H     18.76247029     11.30725390    -10.50580882
  H     15.44815676      9.36593064     -9.33620730
  O     15.76232571      7.52481982    -14.66364857
  H     15.50243078      4.55559135    -14.63691508
  H     16.86851938      9.96682761     -9.39663600
  O     16.30924453      9.36310065     -8.89443520
  H     16.98450723      4.64189793    -14.21063757
  H     16.77667685      8.97518989    -14.83314026
  O     17.31817274      9.77893883    -14.77898916
  H     18.33333658      4.93016925    -11.98415734
  H     16.92800477     10.35062102    -14.09991240
          69
 Energy    -249.38261199397493     
  O      1.34395588      0.55613897      4.46088537
  H      1.86414701      0.88389320      5.19007285
  H     -1.42522610      3.25793958      2.09138688
  O      1.23538464     -0.37346576     -3.01829626
  H      0.64679570     -0.00300298      4.84833186
  H      0.48925633      1.74923712      3.23425058
  O     -0.65869636     -0.95481235      5.50066061
  H      1.23184572     -1.31599046     -2.80693248
  H      0.62026075      1.99477778      1.71112305
  O     -0.73832598      0.48475219     -1.12651405
  H      0.46845066     -0.00427872     -2.56223129
  H     -2.00303408      1.70704428     -0.97450772
  O      1.31403875     -3.00792466     -1.89485431
  H     -1.45612563     -0.40451531      5.49726555
  H     -2.86084247      2.83393361     -1.59555054
  O      3.17157943     -1.91612407     -0.23115981
  H     -0.94768161     -1.81705131      5.18522702
  H     -1.29264090      0.91424348      2.29434264
  O     -4.20238011      2.74823759      3.69249410
  H     -0.94624129     -0.43844300     -0.92487532
  H     -2.62228954      0.27181707      1.75754856
  O     -4.11558983     -3.25227626      2.93421247
  H      0.02330924      0.72923388     -0.58156112
  H     -0.30371193     -2.60772228     -1.05488037
  O      3.38367830      0.58638077     -1.64785949
  H      1.99541980     -2.69446003     -1.27339509
  H     -0.80092532     -2.31338725      0.38638659
  O     -6.02145711      1.18405252      2.49704623
  H      1.62732949     -3.83358232     -2.25422249
  H      1.95523828     -0.46996366      2.98983169
  O     -5.22191896     -0.93754998      4.29389623
  H      2.90718653     -1.68071362      0.66763477
  H      1.17784211     -1.49617438      2.14468609
  O     -2.30594906      3.55115251      1.82304515
  H      3.41996686     -1.08976717     -0.66387166
  H     -2.54515026      0.37002169      4.02396640
  O      0.06279708      2.17651566      2.48082129
  H     -3.72194941      2.14373868      4.27122891
  H     -3.76134256     -0.01650388      4.88484001
  O     -2.71461479      2.34423435     -0.79019496
  H     -3.55570735      3.11484364      3.07160893
  H      2.22569503      1.11426805     -0.27873795
  O     -1.86299765      0.13607654      2.33818711
  H     -4.79081418     -3.92363999      2.86971931
  H      1.69955066      0.37834051      0.97901243
  O     -1.03827228     -2.23779835     -0.55064475
  H     -3.94349030     -2.94856095      2.02472925
  H     -1.69507173     -4.25116047      4.79575061
  O      1.98996252     -0.96736027      2.16359642
  H      2.66996653      0.28706955     -2.23961493
  H     -2.57581012     -3.35823164      3.89509670
  O     -2.93559792      0.48949597      4.90293458
  H      4.03578810      1.01649304     -2.19367282
  H     -0.76679654     -2.76359492      2.85097025
  O      1.52458687      1.12254108      0.38350001
  H     -5.42300936      1.80994371      2.94781889
  H     -0.97493738     -1.36114804      2.23123677
  O     -1.70445992     -3.42487392      4.31860933
  H     -6.88783053      1.58065468      2.49862805
  H     -3.92391540     -1.41041799      0.41407608
  O     -0.46859660     -2.18645342      2.14005497
  H     -5.59568835     -0.31988711      3.65296553
  H     -2.85098416     -2.42107433     -0.04009060
  O     -3.69175921     -2.34993848      0.42762801
  H     -4.89999269     -1.69626491      3.79380395
  H     -3.79352198      1.12051168      0.11041462
  O     -4.09921306      0.38738289      0.65827339
  H     -2.42754673      3.23872081      0.91952658
  H     -4.82449861      0.70049476      1.21563345
          69
 Energy    -249.38226343698938     
  O     15.96554461     10.05858027    -16.58193485
  H     15.07074391     10.32705297    -16.32858175
  H     16.88886478      5.29269740    -12.24838575
  O     16.26969260     13.27828500    -10.81728707
  H     16.55645786     10.78980063    -16.36601028
  H     19.76086832      9.60184073    -15.09648327
  O     19.36303705      8.52012152    -13.65446742
  H     16.44797659     12.84546465    -11.66933938
  H     19.65140427      9.39830575    -16.61408093
  O     15.25318693      5.86651358    -17.96674718
  H     16.24571516     14.21672042    -10.98530384
  H     16.83100482      7.22804651    -15.19818463
  O     15.73838414      9.66647299     -8.53800691
  H     18.49599221      8.36860185    -14.06444519
  H     16.56419782      8.75009966    -15.46097946
  O     15.07254453      7.79655402    -12.77377639
  H     19.73432723      7.64994586    -13.46935575
  H     13.65494585     10.74616349    -14.63290662
  O     16.66691573     11.76560343    -13.09169354
  H     14.91749438      5.51432589    -18.78601466
  H     12.58612939     10.76974720    -15.73895228
  O     20.02350185      5.84168939    -13.17123077
  H     15.75571856      6.66631964    -18.20313699
  H     17.33852655      8.68219821    -10.95426879
  O     15.19042250      5.07873213    -13.21035424
  H     16.47676043     10.28539506     -8.68551567
  H     16.33821093      8.41190943     -9.80972122
  O     19.34524489      5.76784073    -15.95831058
  H     15.62810678      9.58966104     -7.59410237
  H     18.14059448     10.91529288     -9.98334803
  O     16.61062437      5.45917308    -15.64215822
  H     15.70378488      7.94140710    -13.49758304
  H     17.30778877     12.15934588     -9.64390997
  O     17.68396254      5.61137376    -11.80725855
  H     15.57496785      7.86921750    -11.94903863
  H     17.77026523     10.63969858    -12.13899176
  O     19.69373673     10.08154676    -15.93351941
  H     15.82500376     11.29361001    -13.15865022
  H     18.84707458      9.53681146    -12.27768451
  O     16.87314727      8.11098567    -14.80585710
  H     17.03126643     11.87478803    -13.97840152
  H     14.60355745     10.71021103     -9.71542161
  O     13.52511890     10.84554817    -15.58987367
  H     20.70658236      5.37465731    -12.69794742
  H     14.80870390     12.07293592    -10.39892348
  O     16.74403075      8.01069698    -10.58714760
  H     19.19680123      5.70702138    -12.67409659
  H     20.15886787      7.63227671    -18.35502535
  O     17.72471149     11.38474735     -9.24622534
  H     14.98844339      6.01581446    -13.04916356
  H     19.48887125      7.10739082    -17.06714785
  O     18.33156895     10.03820673    -11.63103202
  H     14.42700353      4.58055032    -12.92963481
  H     14.38129180      9.47856572    -12.89678523
  O     14.21330022     11.31422478    -10.35845224
  H     19.67612742      5.73170690    -15.05402186
  H     14.06897025     10.74427195    -12.04722971
  O     19.51309602      7.85611795    -17.68938761
  H     18.41228677      5.51520146    -15.90322179
  H     18.08167942     12.77369815    -16.10756715
  O     14.20212350     10.42684752    -12.95249280
  H     16.06664719      5.17534373    -14.89957848
  H     18.53505785     11.33362127    -15.76365388
  O     17.81100158     11.97825805    -15.65699086
  H     16.05904135      5.49985695    -16.43868866
  H     16.42935023      8.84579440    -17.89738813
  O     16.75264452      8.09787530    -18.41756490
  H     17.41043588      6.37056109    -11.27584292
  H     17.69564536      8.02635823    -18.22674205
          69
 Energy    -249.38210101611185     
  O     16.20718168      9.39789275    -16.56192513
  H     15.52789696     10.00224037    -16.24597212
  H     17.04786150      5.15491308     -9.96273264
  O     14.69992391      5.61301244    -12.00198290
  H     16.38235351      8.77958919    -15.83481022
  H     20.94669022      7.44047879    -17.20251355
  O     19.43269477      7.24237781    -14.02562352
  H     14.85183266      5.39535236    -12.93295112
  H     19.48930002      6.99199118    -16.93640710
  O     13.47230791      6.27295621    -16.61952988
  H     14.01270467      6.28785611    -12.00078343
  H     17.63007808      7.47530730    -14.32346984
  O     17.17874702     11.52795117    -10.68103050
  H     19.81855563      7.42979859    -14.89075639
  H     16.22914960      6.82134518    -14.56412649
  O     15.42680205      9.07373465    -12.51019781
  H     19.67618970      7.94654598    -13.41020552
  H     13.81241718     11.79036130    -15.59339962
  O     18.63075821     11.14303432    -14.10811583
  H     12.65042135      5.97808228    -17.00220455
  H     14.83302134     11.35353960    -14.52339705
  O     18.51787023      4.82845003    -13.04713804
  H     13.26789717      7.06761099    -16.09446334
  H     16.67145948      8.74854105    -11.26118701
  O     12.99825693      7.91713864    -12.22365039
  H     17.26331080     10.60294293    -10.42415453
  H     17.41068361      7.61092554    -10.54749813
  O     17.51414411      3.80299858    -15.33933045
  H     18.07430607     11.82289542    -10.89078741
  H     12.86453297      8.22039426    -14.09821521
  O     15.24695868      5.28076355    -14.70471077
  H     15.58774542      9.99768847    -12.73454332
  H     13.36654667      9.29890970    -15.08312078
  O     17.07689302      5.74926124    -10.70868195
  H     15.85021422      8.53597055    -13.19835866
  H     19.42128183     12.01457734    -12.69950989
  O     20.17221813      7.64245336    -16.68503347
  H     18.85525146     10.36516764    -13.58082947
  H     20.39402722     12.85801848    -11.84646295
  O     16.69144212      7.66193837    -14.44920123
  H     18.78000677     10.90462360    -15.03484877
  H     19.92761078     10.13878889    -11.85951021
  O     14.26299697     11.02726627    -15.23797060
  H     18.06339466      5.08341084    -12.23709244
  H     18.88618599      9.01423085    -11.61677963
  O     17.42058259      8.56794330    -10.67369125
  H     18.96750796      5.62732644    -13.35971570
  H     18.02780663      5.12363633    -16.64773275
  O     12.96834140      8.42269471    -15.03627363
  H     12.47605136      8.31943714    -11.53416459
  H     17.41299143      6.20838379    -17.57188413
  O     19.76588334     12.14193972    -11.79919630
  H     13.85249901      8.38583693    -12.24023389
  H     16.91426023     11.54703340    -13.67130230
  O     19.61390540      9.29255547    -12.19429581
  H     17.74439817      2.88344887    -15.43914490
  H     16.28708552     11.79994669    -12.28916887
  O     18.24902360      5.85583061    -17.23208293
  H     17.90085845      4.10122038    -14.49537892
  H     17.95244312      9.96836079    -16.76365204
  O     16.06481238     11.68285875    -13.22433269
  H     14.63143911      5.48522042    -15.41994544
  H     19.37369774      9.36854097    -16.72827078
  O     18.88435638     10.19424434    -16.63213537
  H     15.92305466      4.67351235    -15.03222873
  H     15.96335073      7.92038088    -17.68961559
  O     15.86204428      7.01728737    -18.01960628
  H     16.20274407      5.69872912    -11.13667538
  H     15.01876913      6.71402192    -17.66485550
          69
 Energy    -249.38194130378801     
  O     11.72141099     10.15100729    -11.19144239
  H     11.28851293      9.38639976    -11.59263700
  H     14.81852134      6.60944167    -17.61594570
  O     13.94743422      7.12411906    -14.75947941
  H     12.06529062     10.67592519    -11.92374994
  H     17.71978794      6.19791610    -15.31444313
  O     17.70448165     11.50566962    -11.42770105
  H     14.21294076      6.59816440    -15.52547470
  H     18.42859604      5.45859482    -16.46974010
  O     17.28404475      8.63675178    -17.49383074
  H     14.66808444      7.74040963    -14.56079752
  H     14.80095412     12.91665325    -16.13122753
  O     11.90872884      8.93110511    -14.78250433
  H     17.63368179     12.34299985    -10.97671313
  H     15.54456143     11.61470448    -15.75588749
  O     16.42978211      7.55980302     -9.78011435
  H     16.79681690     11.19380759    -11.58484807
  H     16.33614743      9.40249795    -14.65831145
  O     13.43762410      6.49080892    -12.15506491
  H     17.51174397      7.77854043    -17.11857253
  H     15.75169085      9.31168537    -13.22537753
  O     15.23307415     10.46292902    -11.92320495
  H     16.43848378      8.51456626    -17.94503306
  H     20.81544361      7.92745093    -12.53939602
  O     14.69425600      8.22314969    -18.58642717
  H     12.61823423      8.27420353    -14.87436935
  H     19.49869971      8.36555339    -11.85222793
  O     16.03352037      5.40937560    -11.67430103
  H     11.32915663      8.57486659    -14.10112810
  H     10.17108075      7.09535433    -12.18089694
  O     17.03333405     10.69425421    -15.73752613
  H     15.55651230      7.97107708     -9.76187199
  H     11.70959225      7.16659272    -12.25657248
  O     14.93255179      5.88895221    -16.98144067
  H     16.33220247      6.77216652    -10.32714047
  H     19.34746909      9.75429739    -13.55242662
  O     17.70768600      6.05234636    -16.27341215
  H     14.21684538      5.99162595    -11.88385665
  H     18.61766252     10.99632926    -13.01395728
  O     14.67221592     12.04611229    -15.76293325
  H     13.57006703      6.66217255    -13.10124265
  H     17.04907538      7.43370905    -13.69998215
  O     15.97400467      8.78951186    -14.00618983
  H     14.85132673      9.84418576    -11.28587406
  H     18.48559433      7.05272648    -13.26464051
  O     19.88436713      8.05838534    -12.69508585
  H     14.50315782     10.79325154    -12.46589522
  H     17.91818127      8.49804022    -10.16708785
  O     10.89571739      7.67117352    -12.41393280
  H     14.40445656      8.30147492    -19.49157609
  H     18.38550957      9.88836744    -10.67147674
  O     18.97891955     10.60350878    -13.81925304
  H     14.14600485      8.83584513    -18.06551756
  H     12.60661156      9.64796789    -16.41631389
  O     17.64514222      6.67982010    -13.56402344
  H     16.32859627      4.51410508    -11.52402745
  H     13.68847763     10.70782216    -16.70763876
  O     18.68596582      8.98965505    -10.49457414
  H     16.61657047      5.78308264    -12.35468400
  H     13.72760199      7.89230293    -10.94705965
  O     13.22539327      9.95325559    -17.09077924
  H     17.21356912     10.04056566    -16.43092768
  H     13.10521469      9.21168447    -10.43819605
  O     13.88003580      8.63758803    -10.35025571
  H     17.79803327     10.73991584    -15.14398728
  H     13.60776105     11.59451760    -14.27537089
  O     13.12459019     11.15039777    -13.56697932
  H     15.88013141      5.83413033    -16.80610385
  H     12.69010120     10.39138624    -13.98203553
          69
 Energy    -249.38170713753198     
  O      1.72311494      0.75020151      3.73598701
  H      2.46988162      1.11281906      4.20379403
  H     -4.05140463     -1.16951293      4.86994701
  O     -0.82814844     -1.35828166     -3.16093040
  H      1.15371776      0.31800350      4.40129791
  H     -2.14620121      2.19333528      5.25925464
  O      0.03719164     -0.37342683      5.45846068
  H     -0.65592219     -2.25909042     -2.86285970
  H     -2.79469655      0.86584920      5.67717723
  O     -2.21729365     -0.40982050     -0.92982899
  H     -1.46708692     -0.99603988     -2.52990486
  H     -3.43677550      0.38862454      1.36963608
  O     -0.12397108     -3.80542457     -1.76669943
  H     -0.67339163      0.25145448      5.67104501
  H     -4.38006899      1.56912366      1.09843684
  O      1.90586796     -2.19555350     -0.93744116
  H     -0.35097445     -1.25262222      5.42333141
  H     -1.69071437      0.64375623      2.75946220
  O     -4.85361964      2.76150136      2.39633297
  H     -1.42154767      0.02178145     -0.58948446
  H     -2.87478399     -0.07460132      3.49737124
  O     -3.79100456     -2.89656926      4.53233907
  H     -2.96952601      0.05776923     -0.54144818
  H     -1.54839958     -3.45291126     -0.62829990
  O     -0.43155278      2.00756066      2.41782737
  H      0.23034099     -4.60491725     -2.14658958
  H     -2.27349868     -2.11796889     -0.33975236
  O      1.34104747      0.15098414     -2.51442955
  H      0.63583439     -3.28893044     -1.44239331
  H      0.71545915     -1.58622230      1.89095063
  O     -6.40171227      0.69029150      3.70876810
  H      1.88504484     -1.40588407     -1.49183497
  H      1.71675116     -0.48684731      2.33679476
  O     -4.04028619     -0.20108219      4.90520503
  H      1.91626968     -1.87838051     -0.02471174
  H     -2.17590163      4.36746463      3.84044786
  O     -2.01845957      1.42606949      5.82705388
  H     -4.08470839      2.99597345      2.92965476
  H     -1.66561570      3.04295902      3.23573806
  O     -4.04587348      0.75039469      0.70693317
  H     -5.40565958      2.18608151      2.94051840
  H      0.60569630      0.76999458     -0.89239909
  O     -2.31400188     -0.09094863      2.70961386
  H     -2.86294026     -3.05605512      4.74510602
  H      0.62645855      0.13683139      0.51609887
  O     -2.19004196     -3.03609967     -0.03962560
  H     -3.90960627     -3.13373141      3.60488203
  H     -0.84368589     -2.91126602      3.97996397
  O      1.47929497     -1.06522754      1.60162050
  H      0.33771585      1.68919207      2.90890192
  H     -0.41541240     -3.80730051      5.16647155
  O     -2.37871959      3.43747865      3.76388881
  H     -0.28338681      1.77718863      1.49063077
  H     -1.23492740     -2.73260663      1.49925394
  O      0.16715297      0.78972236     -0.03265296
  H      0.57861450     -0.34917140     -2.85758492
  H     -1.38786548     -1.54951087      2.48178866
  O     -0.95946792     -3.05839952      4.93433236
  H      1.75110932      0.57706469     -3.26186679
  H     -3.59359486     -3.36451988      1.07962024
  O     -0.86044328     -2.34510618      2.29882700
  H     -6.31976175      0.02312097      3.00338875
  H     -4.75298922     -4.28296111      1.50843612
  O     -4.30068446     -3.47225943      1.73429984
  H     -7.32181239      0.71723555      3.95661816
  H     -5.35987129     -0.46558432      1.18883159
  O     -5.92269180     -1.07047558      1.69312941
  H     -4.89976981      0.11647756      4.60372775
  H     -5.44040015     -1.90288438      1.73687540
          69
 Energy    -249.38126873908396     
  O     11.67321283     10.12774650    -14.88250997
  H     12.21906800     10.92020142    -14.93942773
  H     15.18518224     10.61721798    -17.34568960
  O     15.98023082      6.91523463    -12.66201806
  H     12.13968770      9.44682968    -15.38661254
  H     15.87805189      9.38623879    -14.57604082
  O     16.90987765     11.49120444    -11.76354200
  H     15.67973790      7.66357428    -13.20118706
  H     14.76892715      9.75310805    -13.54932834
  O     17.41045845      9.97322467    -15.35624455
  H     15.30969546      6.79540977    -11.97782084
  H     11.08105536      9.37296109    -13.43747712
  O     12.93470569      5.50730122    -15.26834132
  H     16.94894359     11.26342605    -10.82529029
  H      9.85701254      9.03874568    -12.55326945
  O     14.41917983      9.72629055     -8.55155601
  H     17.62368778     11.00652095    -12.19162724
  H     17.97664247      7.79928449    -10.08957780
  O     13.93622475      6.91304224    -10.79867703
  H     17.45555349      9.13713907    -15.85084823
  H     17.48422334      8.95153294     -9.18148057
  O     14.33007212     11.22016253    -12.57110543
  H     18.04702157      9.94500807    -14.63515702
  H     12.70102516      6.37724726    -12.09954455
  O     17.03900164      7.67998583    -16.75442385
  H     12.41388508      4.75533665    -15.53604853
  H     11.58057504      7.16572111    -12.80461892
  O     15.24870539      6.97681976     -8.32363257
  H     12.62639513      5.75803880    -14.37831300
  H     18.86114187      9.00940125    -12.59213265
  O     15.81751594      5.67647102    -15.21067984
  H     14.57605356      8.79739266     -8.34298299
  H     19.90223824     10.11200989    -12.88776831
  O     15.40100420     11.32766650    -16.73008773
  H     13.80224987      9.73396143     -9.29610727
  H     19.02718279      6.59375916    -12.03900249
  O     15.10053170      9.04401889    -14.11380014
  H     13.63458462      7.83272555    -10.85012153
  H     17.60343691      7.18304283    -12.17006400
  O     10.79634258      8.89778779    -12.63622277
  H     14.31673473      6.79724596     -9.91993983
  H     15.97504185     10.45032233     -8.85502114
  O     17.60331339      7.99342031     -9.22292809
  H     15.24427568     11.42876073    -12.32103979
  H     17.12872583     11.33984456     -8.33806827
  O     12.08904607      6.34676102    -12.84611479
  H     14.08384500     11.74194789    -13.34416156
  H     14.40227752      8.72173394    -19.00700292
  O     18.97975878      9.88721102    -12.98728899
  H     16.64680116      6.93563570    -16.27525773
  H     14.20918945      8.62267734    -17.47591979
  O     18.51275096      7.38172675    -11.88128282
  H     16.36255757      8.00164737    -17.36154669
  H     13.42560605     10.17673279    -11.46617921
  O     16.88878507     10.73592569     -9.03631414
  H     15.38663055      6.42132124     -7.56156521
  H     12.12365207      9.34396762    -11.40238944
  O     14.82031267      8.91837876    -18.17279317
  H     16.12811511      7.27127160     -8.62222554
  H     13.34199674     13.21546316    -15.29207566
  O     12.94702990      9.52387226    -10.93293600
  H     14.87038459      5.51810483    -15.29763192
  H     14.19997462     11.98379741    -15.65784684
  O     13.53350819     12.31855340    -15.03135847
  H     15.94117391      5.94412208    -14.29120254
  H     13.95058115      8.43848524    -15.34238825
  O     13.31362964      8.16598517    -16.02264223
  H     16.20365579     11.03363745    -16.27693480
  H     13.11459891      7.23579813    -15.86109303
          69
 Energy    -249.38122860108297     
  O     12.57317850     11.35086830    -15.01732024
  H     12.94913937     10.54396505    -15.39528215
  H     17.36200439     11.00826034    -15.90399638
  O     15.83542609      6.52187104    -13.24345959
  H     13.32015215     11.93795387    -14.85592207
  H     16.73587276      9.31131604    -14.37467158
  O     17.41391170     10.14172471    -10.89117475
  H     16.27296374      6.03735370    -13.95322123
  H     15.62583427      9.78957069    -13.39486239
  O     13.86376239      9.23135389     -8.82784687
  H     15.81231401      7.44789678    -13.53695430
  H     11.42821921     10.72341632    -13.86974034
  O     13.46488203      7.00567489    -11.91011458
  H     16.63707031     10.53737119    -11.31542357
  H     10.01030196     10.63353031    -13.25298234
  O     15.22732197     11.10503481    -12.23149576
  H     17.19787085     10.04923933     -9.95511415
  H     16.70659972      7.78865262     -8.60153897
  O     17.45440442      7.90739844    -16.95509382
  H     13.78222035      8.26951828     -8.85129157
  H     17.16385761      6.91408216     -9.78007381
  O     13.99527915      6.39366971     -9.21143920
  H     13.47959448      9.54363552     -9.65722665
  H     11.38746150      8.46366890    -13.84837386
  O     18.46724176      9.72010600    -14.92025248
  H     13.55786847      6.70571349    -10.99732677
  H     12.31546823      7.31623454    -13.40612491
  O     17.40040723      5.64602329    -15.42022317
  H     14.26731822      6.72585824    -12.37364550
  H     18.59810444     10.91591322    -12.03484076
  O     19.24397684      7.30494710    -13.93445455
  H     15.08528128     11.77196027    -12.91446697
  H     19.91579491     11.62548838    -12.38707408
  O     16.61549727     11.50120247    -16.26331415
  H     14.37446305     10.73615609    -11.95782903
  H     17.11385079      7.04793705    -12.01301084
  O     15.85270834      9.11022867    -14.04210166
  H     16.73541185      8.38598382    -17.38537167
  H     17.68929654      8.33614559    -11.34244189
  O     10.88197046     10.25033244    -13.21571197
  H     17.94194436      8.56749312    -16.44934768
  H     16.57667735     10.11592934     -7.43821170
  O     16.65249266      6.89453624     -8.96031026
  H     13.73824584      5.66760098     -8.64959422
  H     15.52579361      9.59869116     -8.44953309
  O     11.87582964      7.69901393    -14.17653389
  H     14.96118909      6.48733540     -9.12520054
  H     14.66308070      9.26502156    -17.24259375
  O     19.10812543     11.29123940    -12.76987086
  H     18.73396016     10.36592047    -14.24918400
  H     14.87198207      9.60029849    -18.73953451
  O     17.83883833      7.38873150    -11.46939939
  H     18.83448628      8.87181604    -14.62072764
  H     12.18854307      9.95541126    -11.95139910
  O     16.48220476      9.68374881     -8.28259905
  H     17.37019166      6.40013445    -16.03531923
  H     13.17529027      8.79527419    -11.64893453
  O     15.32575821      9.53242669    -17.90373182
  H     17.57475371      4.87057742    -15.94687933
  H     15.58026882     12.34610220    -15.12256882
  O     12.98468362      9.72552368    -11.45683698
  H     18.93862909      7.28521303    -13.01754787
  H     15.14968531     13.71203639    -14.54420961
  O     14.98663039     12.77440242    -14.48086791
  H     18.75650583      6.61047968    -14.39295114
  H     14.49016561      8.96428457    -15.19745101
  O     13.73699875      8.90348166    -15.80410830
  H     16.19344954     10.91673496    -16.90555443
  H     13.06027772      8.37668400    -15.35583415
          69
 Energy    -249.38090500587646     
  O     15.83223127      8.80310625    -15.81297148
  H     16.12739124      7.91204693    -15.56356527
  H     18.87426557      6.48256705    -17.42805735
  O     14.12661341      5.10496750    -17.67332930
  H     16.24039002      9.38887822    -15.16514533
  H     17.43496848      6.31838259    -14.27866868
  O     18.10299646      6.09282557    -12.59117234
  H     13.31363509      4.77617180    -18.04810963
  H     17.77022018      6.69387567    -15.75312893
  O     18.34051406      4.74714364    -17.83000622
  H     13.88430819      5.82502734    -17.06404828
  H     14.17269040      7.87174071    -16.01178423
  O     12.47700071      6.17775739    -10.85114421
  H     17.83605816      5.19846838    -12.33783069
  H     13.56976076      6.92430965    -14.97867217
  O     14.72563561      4.01571476    -13.49661279
  H     19.04396333      6.08905493    -12.80530329
  H     16.03778901      3.94992811     -8.56464912
  O     16.19887056      7.98557554    -12.10625866
  H     17.74157311      5.14557502    -18.48199211
  H     15.63769814      5.07490907     -9.54886774
  O     18.14148138      2.72132652    -14.43032292
  H     17.75036966      4.27155523    -17.23640307
  H     15.39841833      4.20600419    -16.64269294
  O     13.43440510      3.63785137    -10.99468704
  H     11.57704405      6.23829561    -10.54370801
  H     16.42013089      4.85798305    -15.68177807
  O     19.57891384      8.62522819    -14.67814837
  H     12.70981779      5.23167856    -10.86564977
  H     21.56944210      6.03740029    -13.28472040
  O     20.07676196      4.37789036    -15.49288073
  H     14.47837473      4.95033868    -13.43444232
  H     20.52601548      5.56810114    -14.32572667
  O     18.90324695      7.38818913    -17.09005200
  H     15.04736936      3.87242997    -14.39308922
  H     16.20961251      3.73379934    -12.49805470
  O     17.05851988      6.41229020    -15.16294265
  H     16.90842800      7.32775794    -12.18001770
  H     16.74491698      3.69243279    -11.05096042
  O     13.58128249      7.11426085    -15.92681857
  H     16.51690208      8.76446863    -12.57545631
  H     15.50638709      7.27798253    -10.48951011
  O     15.83530853      4.12367956     -9.47989472
  H     17.86210658      2.86675419    -13.51789572
  H     14.16080328      6.67074671    -10.04815387
  O     16.08766305      4.00044897    -15.99839827
  H     17.38211781      2.95098720    -14.97956085
  H     16.41897174      6.99036903    -19.05749803
  O     20.69093247      6.21088675    -13.61123819
  H     14.20803247      3.63883314    -10.41681924
  H     15.54554414      5.74891004    -18.78812860
  O     17.01932474      3.63423322    -11.97430295
  H     13.77758317      3.56231568    -11.89500339
  H     14.71935102      7.17779001    -12.87038307
  O     15.09517286      6.72640994     -9.81183962
  H     19.46715755      8.31413989    -15.58714213
  H     13.34144532      6.60024236    -12.44600854
  O     16.35251742      6.04345990    -19.22879854
  H     20.04587407      7.91132882    -14.22856141
  H     18.19399992      9.50955583    -14.06310288
  O     13.95555794      6.67622883    -13.18729134
  H     19.49249534      3.72401155    -15.07793251
  H     17.65968014     10.85654425    -13.52501876
  O     17.38917824      9.97653169    -13.77324106
  H     19.77098940      4.45850674    -16.40043166
  H     16.68256022      9.58542102    -18.85080597
  O     16.78864247      8.75905066    -18.38664258
  H     18.30011986      7.90712926    -17.63754557
  H     16.38322416      8.87110763    -17.51048116
          69
 Energy    -249.38071116716651     
  O     -0.13094276      0.43101498      2.24315842
  H     -0.86940276     -0.13510756      2.52892901
  H     -3.90124112      4.93589188      5.93230328
  O      0.50431640     -0.63258095      6.47176774
  H     -0.51648480      1.12215107      1.69056709
  H     -3.15237137      2.47383189      5.71149805
  O     -4.56998063     -3.54663325      1.93943412
  H      1.18744788     -0.74141162      7.12780041
  H     -1.99765092      1.51918346      5.32619229
  O     -2.93628879     -1.79415112      0.36160309
  H      0.65902044     -1.30993326      5.78837557
  H     -2.99782927      4.75334061      2.37499436
  O     -1.59899546      2.35419070      0.86915886
  H     -4.19576364     -2.96623433      1.26495826
  H     -4.13907303      3.71244582      2.32667432
  O     -3.13373283      0.77197694     -0.84779765
  H     -3.91811518     -4.24785858      2.05255267
  H     -1.35346681     -0.83880506      6.90167277
  O      1.25131937     -1.88991462      1.76545985
  H     -3.03620312     -0.98070920     -0.14407237
  H     -2.63167254     -0.01221972      6.67101347
  O      0.79501488     -2.48943918      4.54357521
  H     -2.69510769     -1.53129276      1.26380942
  H     -1.51855495      4.35790028      4.95194118
  O     -1.77479767     -3.49125471      4.34741651
  H     -2.47660411      2.24925486      1.26795098
  H     -0.38869017      3.34756050      4.66580199
  O     -2.27248799     -5.27194984      2.26802177
  H     -1.31493858      3.24882846      1.09525473
  H     -3.01921945     -0.64981745      3.26051838
  O     -1.10204230      4.89110277      1.90245103
  H     -2.45858324      1.33045356     -0.43102553
  H     -2.11396168     -1.91647824      3.45105131
  O     -3.38865627      4.29667733      5.44516513
  H     -3.22203160      1.07995435     -1.74697047
  H     -4.43044283      1.39139964      2.31356418
  O     -2.90458663      1.54234354      5.66418485
  H      2.09656449     -1.75868241      1.34238369
  H     -4.33083595      1.50752538      0.76109065
  O     -3.84282136      4.51606598      2.77500742
  H      0.85169513     -1.00989209      1.86901057
  H     -3.20306507     -2.30120139      6.64867625
  O     -2.31239270     -0.86098705      7.00354735
  H     -0.06400413     -2.93623512      4.51564346
  H     -3.95674161     -3.55474566      7.15608355
  O     -0.67298288      4.25653496      4.49817969
  H      1.05329481     -2.35302289      3.62586867
  H     -4.86094832     -2.54625829      4.97847028
  O     -2.22479075     -1.10056072      2.94743525
  H     -2.43311401     -3.50126379      5.05375562
  H     -5.14184932     -2.67679175      3.45661550
  O     -4.27423212      2.00738126      1.57935311
  H     -1.98184685     -4.19735234      3.72168162
  H     -0.09522030     -3.07053717      1.02952871
  O     -3.65286714     -3.11838507      6.36511464
  H     -2.14845245     -6.18773473      2.03585954
  H     -1.50804636     -2.98992466      0.40252991
  O     -5.33446464     -2.14363121      4.24242660
  H     -1.70858554     -4.74947458      1.66844331
  H     -0.09054312      1.16248287      3.93111467
  O     -0.82295517     -3.60736355      0.69605032
  H     -0.87231173      4.68888075      2.82794618
  H      0.11578572      0.84510995      5.43653475
  O     -0.21894241      1.51159929      4.82309759
  H     -0.65472813      5.70243622      1.67890507
  H     -4.04099467      0.74207539      4.48426767
  O     -4.47035486      0.34992245      3.71204374
  H     -3.63614678      4.39227966      4.50784714
  H     -4.90897119     -0.47836313      3.96318700
          69
 Energy    -249.38041844570375     
  O     -7.20429890     -1.82318187      6.34821091
  H     -7.45465582     -2.37279971      5.59535343
  H     -4.36246225      0.95969455      0.87609299
  O     -9.48453590     -1.05558769      3.13553177
  H     -6.26291816     -1.63298525      6.25590852
  H     -7.16750120      0.85232505      4.41331223
  O     -8.05729984     -3.30210457      4.07334968
  H     -9.19935382     -1.87347261      3.55904032
  H     -7.91098734     -0.15347912      3.47370007
  O     -5.70855211      0.93805141     -0.38171079
  H     -9.93045209     -0.48633676      3.78109395
  H     -4.43426064     -1.13978039      4.93870385
  O     -4.55616003      1.70709227      5.93725226
  H     -7.43455647     -3.17783014      3.33421589
  H     -3.68678575     -1.71269762      6.16490732
  O     -5.57235851      5.31693184      0.74210313
  H     -8.28103710     -4.22891053      4.08992268
  H     -3.08109397      3.35504442     -0.25925390
  O     -8.92754151      0.02994268      7.26078954
  H     -5.99021736      0.03030967     -0.54198202
  H     -2.51556138      3.95113722      1.04022082
  O     -4.69138651     -0.85424384      3.22036310
  H     -6.39314724      1.33706197      0.17981673
  H     -9.59210980      4.26771168      4.68130171
  O     -4.74086964      3.38617242     -1.26116534
  H     -5.50254124      1.84698235      6.09052693
  H     -8.37335221      3.79343382      3.86718593
  O    -10.35587774      0.83159935      4.91895325
  H     -4.41905910      0.75830675      6.03038206
  H     -6.50264877     -2.48209109      1.17764524
  O     -6.93308724     -1.62207729     -0.48264011
  H     -4.74907314      5.41217603      1.23903093
  H     -5.61491712     -2.24774878      2.41488334
  O     -3.69073736      1.09583006      1.55793630
  H     -5.36577807      4.71764140      0.01514390
  H     -8.79319188      0.56033310      0.63161807
  O     -7.11109223      0.37994573      3.57439198
  H     -9.19273413     -0.17503453      8.15277015
  H     -9.36838729     -0.66751437      1.35375947
  O     -4.44644924     -1.19470844      5.91006323
  H     -8.32993380     -0.68430761      6.97121121
  H     -7.84911038      1.32870546      6.54807782
  O     -2.39179544      3.23346755      0.40624320
  H     -5.55002274     -0.41479742      3.33936501
  H     -7.90549148      2.55756862      5.59429519
  O     -9.04916066      3.50319597      4.50278865
  H     -4.16191778     -0.26990494      2.66267014
  H     -3.66629492      4.38566867      2.88879765
  O     -6.30585916     -2.82209092      2.05795343
  H     -4.81470886      3.49482189     -2.20658737
  H     -2.80010544      5.65686635      3.03786434
  O     -9.10928273     -0.33939204      0.48045190
  H     -5.08110832      2.50004266     -1.05830669
  H     -4.30492845      2.28637265      2.84875109
  O     -7.31251674      1.90473225      5.98794504
  H     -9.97959609      0.58433747      5.77392576
  H     -4.46979277      2.54848910      4.37767797
  O     -3.24131260      5.10792481      2.39498303
  H    -10.00537157      1.70369115      4.70767448
  H     -7.49527688      2.79765866      1.65511996
  O     -4.54914211      2.95435139      3.50242067
  H     -7.14872173     -2.15128006     -1.24628822
  H     -7.41417287      1.33324078      2.09207812
  O     -7.59886645      1.89857014      1.32619461
  H     -7.76461940     -1.20968860     -0.18347188
  H     -6.19707052      3.71708061      3.15049257
  O     -6.97731902      4.17447909      2.80335771
  H     -3.06562515      1.73887568      1.19440610
  H     -6.64777428      4.71935719      2.07383872
          69
 Energy    -249.38028137622598     
  O     12.47924481      9.79750200     -9.56431105
  H     13.44379680      9.89478193     -9.56690380
  H     15.17841871      6.91237877    -11.79249011
  O     14.79114659     14.06299052    -11.64360413
  H     12.10756823     10.67351219     -9.39972760
  H     12.14853151      5.92227086     -9.82908149
  O     12.97758504      9.75598085    -16.20730195
  H     15.20395819     14.91488424    -11.53153008
  H     11.52470625      5.71935886    -11.22947991
  O     12.61686994     11.14397597    -13.78306936
  H     14.79200850     13.63197453    -10.76980406
  H     12.09380570     12.56197822    -12.63246842
  O     15.27384305     11.92410740    -13.39844627
  H     12.53696703      9.65523875    -17.04702198
  H     12.94264068     13.62756337    -11.91134035
  O     11.67971557     12.44527346     -9.34842821
  H     13.29005248      8.87173027    -15.94594160
  H     14.85228776     10.31940068    -16.03978479
  O     15.23525214     10.06911415     -9.45271055
  H     13.53946926     11.39120282    -13.61968508
  H     15.70950339     11.05344582    -14.99843039
  O     14.55745161     12.78345952     -9.26368914
  H     12.60303132     10.74085223    -14.65980776
  H     14.36000773      7.18038234     -8.65848181
  O     14.22578053      8.19498108    -12.66516840
  H     15.73998819     11.26207314    -12.86443039
  H     15.53793542      6.94019246     -9.62535940
  O     12.92204674      5.27742939    -14.13802180
  H     15.20746620     12.72426825    -12.86456220
  H     13.35816715      4.42395270    -11.30126784
  O     10.78166720      6.61510794    -12.72498124
  H     11.00275392     12.97808179     -8.94075964
  H     14.11700142      3.10745042    -11.59863801
  O     15.75386747      6.25575918    -11.37237763
  H     11.73999566     12.72872839    -10.27893636
  H     17.52910354      7.67324690    -13.64404312
  O     12.05209628      5.28530946    -10.54761477
  H     15.35655472      9.17848869     -9.09135224
  H     17.27812217      7.06028575    -12.24837450
  O     12.07065032     13.21190001    -11.91910862
  H     15.70448489     10.07808389    -10.29828904
  H     17.47484396      7.77469291    -16.12113010
  O     15.76015256     10.42977068    -15.73484721
  H     14.89669994     11.87920693     -9.20888909
  H     16.53105565      8.84922617    -15.53539561
  O     15.28382966      7.40353491     -8.81555179
  H     13.60689372     12.72187999     -9.11444327
  H     13.72052721      6.55851388    -15.03918792
  O     14.07778209      4.03157380    -11.82931623
  H     13.34135978      8.47836702    -12.40988327
  H     15.02334893      7.36410901    -15.44928575
  O     17.83858277      7.68379073    -12.73001747
  H     14.17975245      7.94554385    -13.59634890
  H     12.34506592      8.15139309     -8.84908598
  O     16.81554378      7.92166572    -15.44701656
  H     12.15478461      5.68193488    -13.71392143
  H     12.03863490      7.24061331     -7.64092111
  O     14.06216786      7.40654677    -15.36254640
  H     13.37492327      4.77987943    -13.44639657
  H     15.52743748      9.32829824    -12.23369241
  O     12.39135031      7.23634473     -8.52802918
  H      9.85800766      6.61438412    -12.96434961
  H     17.05531836      9.25096357    -12.16086438
  O     16.31202791      9.84325680    -11.98645513
  H     11.02090490      7.53848634    -12.53985774
  H     11.85858446      9.39566428    -11.21349439
  O     11.65693416      9.14281129    -12.12510352
  H     15.32521145      5.40395130    -11.51629694
  H     11.90201345      9.88271526    -12.69938127
          69
 Ord_Energy   -249.380051    
 O   -5.81698132       2.59537697       9.98547840    
 H   -5.80155468       1.66706038       9.68980217    
 H   -6.61701632       2.71214008       10.4912777    
 O   -2.97723198      0.963631749       8.33461094    
 H   -3.84362936      0.564959407       8.48886299    
 H   -2.82749200       1.53777385       9.09441853    
 O   -6.12530327     -0.488114327       6.46066427    
 H   -6.06790066      0.350695372       5.98340607    
 H   -5.44956875      -1.06019747       6.07759380    
 O   -3.09945655       2.39699531       10.7471304    
 H   -2.55951405       3.18655252       10.6165676    
 H   -4.02452898       2.62547708       10.5923510    
 O   -2.30592132     -0.175451085       11.5823498    
 H   -2.63163686      0.718412399       11.4086409    
 H   -2.92695189     -0.784977376       11.1674776    
 O   -2.47921777       4.51003551       7.50252914    
 H   -2.02341175       4.50521994       8.35244083    
 H   -1.99992156       3.93640113       6.88668299    
 O   -5.41577721       4.14536715       3.43977857    
 H   -5.59512568       4.78423786       4.15330458    
 H   -5.94625044       4.41029167       2.69299197    
 O   -5.50998020       2.04448104       5.31157255    
 H   -5.54580736       2.64745331       4.55925608    
 H   -5.44251442       2.60118508       6.10184193    
 O   -1.30212998       2.98945618       5.48850155    
 H   -1.62118161       3.59297037       4.80193186    
 H   -1.83195007       2.18472266       5.40536690    
 O   -3.76697326      -1.81061888       5.45013762    
 H   -3.57534528      -2.21937060       4.60956001    
 H   -3.40525699     -0.909024000       5.41073418    
 O   -3.04261565      0.837330341       5.59565544    
 H   -2.95797539      0.908002079       6.55951881    
 H   -3.88342285       1.26216996       5.37093639    
 O   -1.29748642       4.42266512       10.0431967    
 H  -0.605591297       3.73921180       9.94618034    
 H  -0.916040063       5.13166904       10.5526743    
 O   -5.17379475       3.75130534       7.48596716    
 H   -4.23113346       3.96544266       7.53821898    
 H   -5.44601536       3.42999864       8.35249901    
 O   0.281834811     -0.167844936       10.7818966    
 H  -0.623488843     -0.206805646       11.1390409    
 H   0.842884898     -0.631945550       11.3969479    
 O   0.672810614       1.72057617       7.08674622    
 H   0.288776278      0.846366465       7.22753668    
 H   0.106171988       2.17618895       6.45147419    
 O   -2.59879756       4.74975014       3.80244946    
 H   -3.49389982       4.48110771       3.56412768    
 H   -2.70428085       5.52233887       4.37100220    
 O   -4.09591293      -2.01160908       10.2308531    
 H   -3.58735657      -2.25684476       9.43625259    
 H   -4.34084415      -2.82597613       10.6622496    
 O   -3.01523328       6.69242859       5.89493322    
 H   -2.48011303       7.44922495       6.11926126    
 H   -2.78567004       5.98834372       6.52475643    
 O   -2.69060159      -2.54705000       7.98917913    
 H   -3.07864857      -2.41599536       7.11610365    
 H   -1.87332642      -2.02977586       7.99950123    
 O   -5.54970264       5.56595884E-02   9.06111240    
 H   -5.85379791     -0.203799322       8.17728424    
 H   -5.18436050     -0.718297601       9.50848961    
 O  -0.668918014     -0.615426719       8.15307713    
 H  -0.220345706     -0.570463657       9.00760841    
 H   -1.46024215      -6.34286404E-02   8.24514008    
 O   0.480731308       2.48329306       9.71876907    
 H   0.485921949       1.63332748       10.1717672    
 H   0.641758323       2.29132557       8.78203678    
 O   -5.69276619       5.78526115       5.59614563    
 H   -4.86446905       6.27533722       5.67783546    
 H   -5.68694067       5.15236902       6.32738686    
          69
 Energy    -249.37981063515502     
  O     11.94106207      9.57396873    -15.67938614
  H     12.34049880     10.44995548    -15.66274605
  H     16.78363410      6.09759649    -14.65245613
  O     16.45360060      6.94716249    -13.09023548
  H     12.52978308      9.01932282    -16.21234425
  H     15.85799452     10.39034824    -15.54798209
  O     16.17976395     10.94403045    -11.28064551
  H     15.70990100      6.77477381    -12.49791058
  H     16.75710273     11.64230267    -15.72816669
  O     18.30786323     12.24919141    -14.92530936
  H     17.04799313      7.55868713    -12.63652489
  H     15.70298698      8.23171940    -14.15412608
  O     14.09657052      5.29347956    -16.12947143
  H     15.48168847     11.02033255    -11.94694637
  H     14.73705950      8.53612701    -15.34192254
  O     14.67939255      9.57679382     -9.42102160
  H     15.75724450     10.54843207    -10.50497721
  H     10.13433806      8.01254953    -13.64620402
  O     14.26991057      6.63827254    -11.41074738
  H     18.16092753     12.50129344    -13.99722372
  H     11.36530946      8.65625951    -14.32395269
  O     14.09924074     10.84874386    -13.08536033
  H     18.95825730     12.85308259    -15.27476330
  H     18.26051801      7.89715838    -10.46398064
  O     18.29940216      7.82191785    -16.69699177
  H     13.72080317      4.48587598    -16.46917728
  H     19.08328570      6.83471302     -9.71894479
  O     15.65009069      6.90171615     -8.96499494
  H     13.66625440      5.46350017    -15.27159241
  H     12.23277017      6.59127307    -13.75875812
  O     18.88354732      9.47471081    -14.42645168
  H     15.00484158      8.70624942     -9.16315906
  H     13.37216414      5.96461562    -12.93701196
  O     16.84612946      5.83600617    -15.58303860
  H     13.89009579      9.41474481     -9.95330304
  H     18.22087651     13.40894248    -11.60572615
  O     15.96315209     11.20728817    -16.06112384
  H     13.77012226      7.46769076    -11.42895289
  H     17.28522288     12.21971675    -11.86454193
  O     15.24865006      8.93749703    -14.62775872
  H     14.69073404      6.59079751    -10.54383497
  H     17.40342336      9.62664714    -11.69038015
  O     11.08201325      8.09501562    -13.57973502
  H     13.74591457     11.45545935    -13.74333511
  H     18.42027176      9.11587184    -12.76172870
  O     18.24612458      7.29142370     -9.70471987
  H     14.47209884     10.10689161    -13.59128720
  H     16.09307547      9.97587695    -17.54905725
  O     12.90100604      5.89524638    -13.77648035
  H     19.03566728      7.43538333    -17.16473508
  H     16.89733811      8.67235772    -17.63418415
  O     17.87103569     12.85853074    -12.30170109
  H     17.78978185      7.07976972    -16.32425214
  H     13.18699515      9.72572213    -11.99502587
  O     18.02037339      8.91383013    -11.90193448
  H     15.61761221      6.45500043     -8.12303547
  H     12.06983662      8.67914947    -12.08642237
  O     16.12341247      9.12198406    -17.99851197
  H     16.59034694      7.00699823     -9.19126228
  H     13.18572491     12.91076959    -15.95342912
  O     12.76920606      9.00271208    -11.50466954
  H     18.68624205      8.94380940    -15.20769369
  H     14.30379553     11.85377739    -15.80865382
  O     13.39966202     12.08214716    -15.53294462
  H     18.75901025     10.39716154    -14.67618442
  H     14.62096159      8.30305763    -17.41396007
  O     13.87452420      7.99007751    -16.88082322
  H     15.95636079      5.56803967    -15.83906405
  H     13.94479149      7.03315108    -16.77996586
          69
 Energy    -249.37977478474596     
  O     15.80527283      9.84055389    -16.67771683
  H     15.12882731     10.36321394    -16.23127598
  H     17.03445678      5.74983414    -11.49498733
  O     15.37133540      5.84212114    -11.97467411
  H     15.37798424      9.21467571    -17.27730562
  H     19.19349525      9.05101762    -17.50074459
  O     18.82318866     11.70890087    -14.36913431
  H     14.75357416      6.56023045    -11.79911380
  H     20.21948673      8.30281298    -18.38611090
  O     19.46526924      7.55374609    -14.99403274
  H     15.31387316      5.66757980    -12.92487800
  H     16.56121118      8.49746386    -13.83525008
  O     13.33513945      7.06210083    -15.99696695
  H     19.23071646     10.95744231    -13.90130263
  H     16.44682445      8.69796770    -15.37894488
  O     18.72126966     10.95720539     -9.78024204
  H     19.42260309     12.44522074    -14.27486312
  H     14.84949374     11.63711060    -14.40569049
  O     16.15108535      9.30893792    -12.27295034
  H     18.51772118      7.73678334    -14.88381352
  H     13.64623320     12.18661098    -15.20550229
  O     19.02123891      5.05483705    -13.89237128
  H     19.65798825      7.69398190    -15.92784293
  H     18.39604393      7.52592531    -11.01481339
  O     13.70059600      8.16359470    -11.65817810
  H     13.75032860      7.27115593    -16.84102929
  H     17.58748133      8.77866810    -11.41557269
  O     17.52539032      4.29513056    -16.02077030
  H     13.94939004      6.45837734    -15.55637344
  H     12.97165731      8.31766918    -14.77701705
  O     15.43381843      5.68739486    -14.75401474
  H     19.65774823     11.09835079     -9.65933230
  H     13.24413382      9.80211237    -14.40927307
  O     17.98396717      5.70721540    -11.27934361
  H     18.63534137     10.04487899    -10.09827727
  H     19.92139147      8.85994278    -13.79546848
  O     19.54107652      8.16955086    -17.73011079
  H     16.08346605     10.22612128    -12.56446225
  H     19.49983594      9.20616265    -12.35589615
  O     16.77997263      8.10729311    -14.69169938
  H     15.28096216      8.99925770    -11.99009983
  H     16.42571051     13.14012970    -10.02533948
  O     14.14098145     11.39111872    -15.02454226
  H     19.33407389      5.90311182    -14.23966241
  H     17.48483058     12.09688069    -10.41122303
  O     18.41638717      8.48937798    -11.00077108
  H     18.70238165      5.23396519    -13.00086187
  H     17.38071887      5.72640777    -17.28235075
  O     12.88696269      8.97549232    -14.06972973
  H     12.99565881      8.26134491    -11.02478134
  H     18.04818026      6.99834867    -17.86605378
  O     19.91910906      9.57443109    -13.14304016
  H     13.33811184      8.42156064    -12.52665177
  H     17.09720865     11.85223039    -13.74655092
  O     16.81444883     12.69786586    -10.77556303
  H     18.08587432      4.50906056    -15.25301953
  H     16.37134103     12.28946517    -12.44164884
  O     17.24307088      6.46697267    -17.88484777
  H     17.69757181      3.38349802    -16.23969796
  H     17.51322524     10.36696307    -16.96163783
  O     16.23063695     11.90407440    -13.32000284
  H     16.01909490      5.06531665    -15.20018270
  H     18.65605757     10.95947621    -16.12038594
  O     18.46780845     10.52909001    -16.96197658
  H     15.90510281      6.53590897    -14.75132312
  H     15.72509118      7.25343068    -18.16619464
  O     14.90139783      7.75931813    -18.29287349
  H     18.07716147      5.04554903    -10.59836867
  H     14.65380328      7.65517494    -19.20736405
          69
 Energy    -249.37976421429039     
  O     14.29881844     10.90681937    -11.15348783
  H     13.53042497     10.53906108    -11.58369222
  H     15.81441383      8.21607322     -6.33015660
  O     18.53630549      8.41817945     -4.33503760
  H     14.77826727     10.15909131    -10.75965073
  H     18.67681013     10.46606467    -11.05263434
  O     16.63496770     13.58837449     -9.64611473
  H     18.72433772      8.25844526     -5.27421326
  H     19.24283532     11.03432437    -12.35225379
  O     15.66199994      8.12501130     -4.52267403
  H     19.14730596      7.87760644     -3.83976638
  H     22.75410263     11.67003689     -8.86998027
  O     19.00616837     12.89530866    -12.66395086
  H     17.16168902     14.10524470     -9.02991029
  H     21.71210294     10.71813895     -9.50822734
  O     18.63776451     14.65244456     -7.99312477
  H     15.77838313     13.37806512     -9.24206865
  H     15.64483001     12.08570575    -12.07372131
  O     21.30013376      9.26359748    -10.32847460
  H     15.32493060      8.97987020     -4.22645353
  H     16.40482621     13.21540367    -11.38255615
  O     18.91814138      8.17522557     -7.05855181
  H     16.60679698      8.13746332     -4.32323159
  H     18.01012571     11.69652673     -4.51924285
  O     15.61797200     11.17733216     -6.67284101
  H     18.03691844     12.83219851    -12.58509160
  H     18.14991521     10.26059465     -3.94661816
  O     15.87065038      9.05010687     -9.89046839
  H     19.18052597     13.41791107    -13.44222812
  H     18.37358484      8.49656444    -11.67041646
  O     14.29700752     12.55905595     -8.74400106
  H     19.18952002     14.30619500     -8.71886367
  H     17.15508096      8.03473440    -10.84722264
  O     16.11854857      8.45171802     -7.21808972
  H     18.90219068     15.55766772     -7.85289543
  H     18.40841687     10.93540991     -8.86609001
  O     19.17595673     10.21725015    -11.84683888
  H     20.94135361      8.45145327     -9.95536422
  H     17.42236097     11.89344377     -9.61520340
  O     21.82082019     11.56106334     -9.03026313
  H     20.64561270      9.56783989    -10.97452725
  H     18.17499743     13.34878894     -6.73692712
  O     16.32750596     12.74624841    -12.22830048
  H     19.24707892      7.65263061     -7.79965575
  H     17.16782922     12.17757777     -6.46079772
  O     17.79151512     11.13787126     -3.76153384
  H     19.22193318      9.08554593     -7.20299772
  H     19.19414731     11.44106912     -6.96296192
  O     17.98854681      7.72862552    -11.22757890
  H     15.29395243     11.13664034     -5.76351242
  H     20.42981470     11.11802286     -7.89088999
  O     17.77328962     10.99413078     -9.58957713
  H     15.81060079     10.26715323     -6.93467981
  H     19.14777231      7.16056943    -10.05837038
  O     18.02357356     12.55598179     -6.20789819
  H     15.76177593      8.68861697     -9.00101389
  H     20.11756725      6.05226671     -9.58992363
  O     19.62735876     10.75846054     -7.49444134
  H     16.54083455      9.74797750     -9.79977951
  H     19.74205592     13.36498594    -10.90645505
  O     19.83248397      6.94242021     -9.40037105
  H     14.64160187     12.01862687     -8.01923234
  H     20.72099278     12.91020847     -9.79140216
  O     20.08201805     13.59169522    -10.03314604
  H     14.16956757     11.97501646     -9.50158435
  H     16.04215849     11.01347202     -3.75125742
  O     15.09244663     10.87266101     -3.91848730
  H     17.07389227      8.30545638     -7.22743734
  H     14.61732523     11.33927328     -3.23675364
          69
 Energy    -249.37939966460107     
  O      3.50516180     -3.14665086      0.98223736
  H      4.23128147     -2.53748304      1.19419428
  H      6.79638961     -3.78998731     -1.04649582
  O      2.45489132     -3.04425461      3.51785038
  H      3.01772770     -3.25962361      1.80938435
  H      7.20317947     -3.08135139     -4.92481693
  O      8.64837246      0.16689525      1.84846327
  H      2.12190694     -2.13765538      3.55090446
  H      6.23059488     -2.24299204     -4.06047718
  O      2.28446090      0.66338572      1.09033402
  H      3.18206822     -3.07249439      4.15087045
  H      3.28000115     -3.23430783     -3.27101168
  O      5.36011905     -4.71017681     -0.35238801
  H      7.80715812      0.48697944      2.21662132
  H      1.98359480     -2.74866309     -3.96455214
  O      4.44037136     -0.06416562      4.51700194
  H      9.29289783      0.85305139      2.00490096
  H      4.97669786     -3.19231480      6.09121852
  O      1.77409712     -0.27269514      3.57206624
  H      3.01751625      1.27999024      0.98555364
  H      5.50310452     -3.10113265      4.64160199
  O      9.15316072     -4.27137786      0.74050518
  H      2.35563939      0.03532252      0.35927067
  H      4.61422348      3.13563481      0.31462608
  O      7.33060728     -0.78068969     -0.46022014
  H      5.83052773     -5.19974620      0.33348093
  H      4.82977225      1.68025147     -0.15980681
  O      5.61235801     -1.55385594      1.58236998
  H      4.63926302     -4.24016769      0.09153448
  H      6.84139101     -6.50280005      2.35379630
  O      2.87964114     -1.23452667     -0.90027430
  H      4.60867481     -0.95340954      4.85014838
  H      6.75294082     -4.96098215      2.42616136
  O      7.57153864     -3.33627260     -1.40829607
  H      3.51201578     -0.05939599      4.25060263
  H      6.25067624     -2.80831060      2.70717464
  O      6.77831941     -3.04819623     -4.07211239
  H      0.96522498      0.12057225      3.88850906
  H      7.60942356     -3.13354823      3.35417006
  O      2.70555865     -2.46006284     -3.41317784
  H      1.91301909      0.06311435      2.66866803
  H      4.74612249     -4.69065584     -2.12667727
  O      4.78166919     -2.82713190      5.23174839
  H      8.51310675     -4.90978580      1.07574089
  H      5.30005943     -4.13603998     -3.45653113
  O      4.65105850      2.23260669      0.62052367
  H      8.77865871     -3.95817925     -0.09274090
  H      4.20400319     -1.35043692     -3.87195487
  O      6.85582518     -5.71283364      1.81922679
  H      7.57204174     -1.65613783     -0.79530808
  H      5.12166283     -0.31387769     -3.19636409
  O      6.67838752     -3.40507770      3.33844731
  H      7.96342865     -0.50066533      0.21236007
  H      5.90026059      0.02878735     -1.13422666
  O      4.49633700     -4.45885565     -3.03083779
  H      6.18659826     -1.40076442      0.82157038
  H      4.34608816     -0.17692559     -1.21192979
  O      5.07217972     -0.93189342     -3.93530025
  H      5.60717869     -0.72566260      2.07584151
  H      5.62387929      1.50271984      2.05809171
  O      5.06711595      0.43854157     -1.41436422
  H      3.00255748     -1.96420565     -0.27567533
  H      5.56796922      0.74944078      3.43588579
  O      6.14052158      0.98449145      2.68796172
  H      2.69094975     -1.62827293     -1.76050601
  H      9.09059990     -1.59419616      2.55901378
  O      9.18983156     -2.49298134      2.89159851
  H      7.43189367     -3.26653833     -2.36101065
  H      9.32533173     -3.06296110      2.11868920
          69
 Energy    -249.37928383658715     
  O     14.04530050      4.56126321     -9.66400367
  H     14.25625285      5.39525936     -9.21947493
  H     17.16037016      4.36100060    -14.46325308
  O     12.20443589      4.68201422    -11.82646354
  H     13.40429753      4.73094962    -10.36596736
  H     15.26490983     10.39943329    -11.80289352
  O     16.51323340      3.88308919    -10.77331123
  H     12.08565711      3.72906757    -11.70613269
  H     14.51084745      9.64320579    -10.71231742
  O     18.87760596      7.10886387    -13.23853896
  H     12.82126739      4.78016792    -12.56857025
  H     16.07130667      6.69579197    -11.72862629
  O     12.79951425      8.74281321    -14.09041196
  H     15.64800313      4.11241253    -10.40411033
  H     15.76163760      7.57056810    -12.96774822
  O     12.36960473      1.95662605    -11.45281382
  H     17.06268308      4.67271501    -10.68935808
  H     14.02906833      7.78463263    -11.31741009
  O     13.54385645      2.00741520     -8.82230739
  H     18.19701604      7.71622327    -13.57589340
  H     12.50811848      7.96772842    -11.10667353
  O     17.00616015      8.65364985     -9.34729366
  H     19.72169814      7.46621247    -13.50335304
  H     14.77608321     -0.07429807    -13.03501807
  O     14.10584932      5.02939574    -13.74617597
  H     12.20885974      8.27883976    -13.49008277
  H     15.16480227      0.85520374    -11.86065916
  O     16.75373607      8.55296553    -14.21654249
  H     13.03450527      8.10704091    -14.78389198
  H     10.22362709      7.21765696    -12.17678464
  O     16.42035843      6.96976609    -16.49425151
  H     13.07281089      1.57483252    -11.99152097
  H     11.44638276      6.28704718    -12.03190921
  O     17.58876542      5.08899238    -14.93251355
  H     12.64939315      1.83244542    -10.53744748
  H     15.70462191      2.31932843    -13.37690110
  O     15.30969427     10.16791372    -10.86899745
  H     13.20161662      1.96569930     -7.93340229
  H     16.33465210      3.43803218    -12.51897853
  O     15.35726189      7.00046689    -12.30177962
  H     13.71238717      2.94677184     -9.01355584
  H     16.27908005      2.04003545    -10.36351427
  O     13.36775116      8.19090363    -10.73412645
  H     17.42966146      9.21497856     -8.70290176
  H     15.11160837      1.32208445     -9.66363375
  O     14.73482635      0.83003554    -12.73481066
  H     16.46187870      9.23606717     -9.90577493
  H     13.68648519      6.07155706    -15.21399560
  O     11.17729441      7.21215369    -12.16282831
  H     14.52989945      5.75342516    -13.25987385
  H     14.52712571      6.87575958    -16.21011589
  O     16.15117370      3.17273170    -13.43323317
  H     14.74727877      4.30867722    -13.75696727
  H     15.51327084      7.47771702     -8.67635041
  O     15.84644671      1.17988195    -10.27438655
  H     16.16254985      9.31162916    -14.12478753
  H     14.08596318      7.47292611     -9.22968694
  O     13.63625887      6.79882938    -15.85063978
  H     16.57604189      8.12781127    -15.06737748
  H     18.22785826      6.63465974    -11.57604392
  O     14.67656073      7.00648879     -8.61853750
  H     16.80869733      6.22331711    -16.00230900
  H     17.56769573      7.16984643    -10.26370555
  O     17.68609655      6.38468786    -10.81569026
  H     16.77871493      6.93339858    -17.37693254
  H     14.06055955      9.88173522    -13.81073299
  O     14.82685576     10.47574988    -13.70100001
  H     18.10953421      5.57666616    -14.28555598
  H     14.58169101     11.31035601    -14.09106144
          69
 Ord_Energy   -249.379074    
 O    3.46121573       12.3846378      -10.0012178    
 H    3.26670885       11.6958733      -10.6585121    
 H    4.39005518       12.2586088      -9.77453804    
 O    5.43782663       9.02157116      -10.6284189    
 H    4.90133333       8.25774288      -10.3661280    
 H    5.93765783       8.79411793      -11.4222651    
 O   0.768070936       11.2598515      -14.7286615    
 H   0.734262764       12.1359997      -14.3263369    
 H    9.05014798E-02   10.7358561      -14.2836313    
 O   0.622876823       13.7618628      -13.3101854    
 H    1.51689529       13.9167051      -12.9566202    
 H   0.309044659       14.5977945      -13.6440172    
 O    1.04901707       11.2992859      -9.14711094    
 H   0.547572792       11.5498590      -9.93885708    
 H    1.89608538       11.7567778      -9.21196938    
 O   -2.74299765       11.5291395      -9.90535259    
 H   -2.01398826       11.8872786      -10.4313288    
 H   -2.36976433       11.3668976      -9.03002453    
 O    6.85179329       11.5457106      -12.6005926    
 H    6.69247246       11.7213583      -11.6663513    
 H    6.05546618       11.8296423      -13.0730209    
 O    3.25867891       10.3466291      -11.8421936    
 H    2.54056621       9.74678326      -12.0729208    
 H    3.96718884       9.81649494      -11.4533243    
 O   -1.19553030       10.7906895      -7.62185097    
 H  -0.352520764       11.0113850      -8.05280304    
 H   -1.10491455       11.0306883      -6.70331717    
 O    1.23621225       8.41982651      -12.1992502    
 H    1.73903930       7.65303469      -12.4991150    
 H    1.20437944       8.38294125      -11.2313147    
 O  -0.408263296       12.0151081      -11.3881865    
 H   -9.69908014E-02   12.7138357      -11.9755669    
 H  -0.583092213       11.2454615      -11.9484673    
 O    4.35296202       8.13891983      -14.3705893    
 H    5.20079231       8.43990803      -14.0217247    
 H    3.94863200       8.88650608      -14.8267584    
 O    3.65969992       7.04850006      -10.1218843    
 H    2.85384083       7.44698048      -9.76569939    
 H    3.43299890       6.69503403      -10.9909763    
 O    3.12464595       10.3585005      -15.7265453    
 H    3.04870415       10.3656406      -16.6771641    
 H    2.25981927       10.6424541      -15.3789444    
 O    1.29195559       8.47336006      -9.45144367    
 H   0.379944175       8.22542477      -9.23651981    
 H    1.35063648       9.42625713      -9.30674362    
 O    3.11808705       14.0136576      -12.3198519    
 H    3.24306726       13.6522198      -11.4336662    
 H    3.63595176       13.4495039      -12.9111309    
 O   -1.39160335       8.24166298      -8.95477009    
 H   -1.95149684       8.41440582      -9.72082996    
 H   -1.44508862       9.03385544      -8.40469933    
 O    4.36347437       11.9645290      -13.7751122    
 H    3.96058893       11.4018288      -13.0937166    
 H    4.07472277       11.5776443      -14.6086226    
 O    6.79541159       8.88204098      -13.0983801    
 H    7.65197229       8.54626751      -13.3488340    
 H    6.89298820       9.84400082      -12.9800272    
 O   -3.02293015       9.13775539      -11.1820087    
 H   -3.03353310       10.0029364      -10.7346811    
 H   -3.93339181       8.88314629      -11.3081999    
 O    3.00063086       6.37289286      -12.8503389    
 H    2.94144320       5.53203821      -13.2950554    
 H    3.51419783       6.96482944      -13.4301939    
 O  -0.949636877       9.80875683      -12.9979353    
 H   -1.71541297       9.49030590      -12.5054026    
 H  -0.202662691       9.23408604      -12.7638969    
 O    6.15521812       11.5222569      -9.77078342    
 H    6.79308510       11.5022774      -9.06164551    
 H    5.92784357       10.5962839      -9.96737862    
          69
 Energy    -249.37865642775239     
  O     18.62579682     10.82266499     -7.54380535
  H     18.63848807     11.61099907     -7.00752489
  H     18.60402476      9.10917555     -6.72150566
  O     18.30081751      5.66438553     -9.25161485
  H     19.34889897     10.91058195     -8.19138094
  H     16.14370004      9.53265735     -9.30519974
  O     18.08258419      4.79539938    -13.22260234
  H     17.72950969      5.12996283     -9.81629417
  H     17.39360304     10.35577844     -8.84093972
  O     18.46210426      7.52751025    -13.29028399
  H     18.42038227      6.50637770     -9.72040583
  H     20.34190768     11.15097214    -10.34906731
  O     22.70107937      7.89115276    -11.90702044
  H     18.61116261      4.01240281    -13.35667222
  H     20.94391469     10.04526923     -9.45015397
  O     16.41315056      4.61045854    -11.00484770
  H     17.49654827      4.60092265    -12.47521718
  H     16.37015689      9.63164907    -13.05460271
  O     20.72090355      9.19418736    -13.38571497
  H     17.60744245      7.92198630    -13.50238999
  H     15.47663323      9.13123162    -14.21730559
  O     20.39341707      6.36573576     -7.57635252
  H     18.36711084      6.56598291    -13.34631460
  H     13.19455976      4.78541869    -10.47381752
  O     14.20222143      5.05624144     -7.42127212
  H     22.26396877      7.95935262    -11.04352568
  H     13.52937889      6.11605117    -11.16955198
  O     21.20520343      8.19401090     -9.58248795
  H     23.63181905      8.01854461    -11.73996635
  H     14.02574331      8.01324100     -8.72622925
  O     18.64412442      8.03692588    -10.56575793
  H     15.73762046      4.08016543    -10.56554642
  H     15.49345307      7.70284024     -8.33396245
  O     18.51658507      8.22376566     -6.34763967
  H     16.00639495      5.47064908    -11.19502509
  H     15.38503032      7.65763546    -12.14504859
  O     16.90534558     10.04259830     -9.61241572
  H     21.45322089      8.71428395    -12.97548708
  H     15.12516261      7.52004419    -10.61040176
  O     20.54452231     10.92496302     -9.43261870
  H     19.99248262      8.56676722    -13.47946072
  H     20.25041389     10.65859609    -12.63047385
  O     15.97465830      8.83752425    -13.45941903
  H     19.69799583      5.98365390     -8.13778491
  H     20.33390682     12.20226668    -12.63007331
  O     12.80814388      5.62474585    -10.75240722
  H     20.76379117      5.64479518     -7.07289322
  H     17.10515828      7.21757737     -6.83099750
  O     14.94199807      8.24458135     -8.91878334
  H     13.53280188      5.72579188     -7.60661544
  H     17.08552721      6.19831637     -7.98537262
  O     15.15057206      7.03518544    -11.44686221
  H     15.01747517      5.54111947     -7.23250538
  H     11.51521294      7.31375051     -8.32225653
  O     19.94357708     11.46240908    -12.17191616
  H     21.13439642      7.59614951     -8.83023975
  H     12.44401296      6.56600058     -9.31035796
  O     16.52041251      6.62918035     -7.33004612
  H     20.32894637      8.18835044    -10.00129913
  H     16.97908405     10.74119989    -11.27624237
  O     12.42336636      7.06944291     -8.47660215
  H     18.58119203      7.91138299    -11.52197007
  H     18.08216779     11.15378856    -12.26758504
  O     17.15057844     10.90954301    -12.21419517
  H     18.05823316      8.75698808    -10.30354026
  H     14.27998002      3.95664932     -8.77301558
  O     14.28879237      3.43669662     -9.59713640
  H     19.26014459      7.70810203     -6.68104299
  H     14.00115328      2.55671879     -9.37010967
          69
 Energy    -249.37843783513861     
  O     -7.94618459     -2.74178643      5.11777031
  H     -8.49079778     -1.98110025      5.36616656
  H     -3.12134465      1.57605433      1.67085904
  O     -9.42881604     -1.17491933      0.53897749
  H     -7.03620650     -2.51262718      5.33596458
  H     -6.95392589     -0.55811474      2.92137008
  O     -8.80114104     -3.17564655      2.57633724
  H     -9.38405053     -1.76660457      1.29847887
  H     -6.78898068      0.36701548      4.17230836
  O     -5.88552938      1.38950589      0.09319811
  H     -9.92386072     -0.39077707      0.80757694
  H     -4.72628857     -1.81227032      4.82408489
  O     -5.95912648      0.72790223      5.85526452
  H     -9.20736980     -4.03606562      2.51043167
  H     -4.61787098     -2.50217520      6.20531574
  O     -5.24124842      5.63585596      1.67976399
  H     -8.54000848     -3.06584499      3.50790629
  H     -1.09864513      3.11679172      1.00799159
  O    -10.70252719      1.26989335      1.21166352
  H     -6.18839167      0.58486477     -0.34284735
  H     -2.28097134      3.59867003      1.88427817
  O     -4.11393991     -1.47909016      3.25642265
  H     -6.65338988      1.72605858      0.57920465
  H     -8.79681655      2.94067056      5.71451698
  O     -4.45446442      3.80891166     -0.17698621
  H     -5.35516175      1.33004934      5.39588774
  H     -8.33513114      3.74430710      4.47818031
  O     -9.36234352     -0.33494433      5.31304164
  H     -5.57640463     -0.15763280      5.89370589
  H    -10.34620175      2.33541994      4.18894126
  O     -7.06014937     -1.02620561     -0.75452606
  H     -5.00968078      5.02081418      0.96069681
  H    -10.61451195      0.83641235      4.39246318
  O     -3.84473525      1.01849900      1.98370567
  H     -5.37480303      6.49074963      1.27944943
  H     -7.16100181     -2.54451346      2.02143296
  O     -7.34732973      0.17582662      3.40876029
  H    -11.46835533      1.64177491      0.78342399
  H     -6.49411105     -1.71665001      0.89282262
  O     -5.17787521     -1.93758284      5.67916988
  H    -10.83516042      1.38143315      2.17174039
  H     -8.13221089      1.78988223      7.94966028
  O     -2.03505471      3.00927937      1.14847663
  H     -4.82709139     -1.81608234      2.69422969
  H     -7.37288555      1.33671996      6.67860408
  O     -9.11738283      3.44202451      4.95499766
  H     -3.86594465     -0.63256722      2.86432637
  H     -3.49280001      3.90637860      3.71767999
  O    -10.87748305      1.59465839      3.85934239
  H     -3.56940814      3.54541104      0.10399310
  H     -3.72906077      5.07109284      2.74235555
  O     -6.38689318     -2.00746701      1.80663128
  H     -4.96807390      2.99236072     -0.23417171
  H     -4.41649628      1.95375282      3.44333889
  O     -8.23715161      1.63222928      7.01521060
  H     -8.76892865     -0.15621525      4.56695593
  H     -5.47143769      2.99481569      3.93223950
  O     -3.03315360      4.54747415      3.15965885
  H     -9.11049454      0.28968717      6.00605505
  H     -8.96665361      1.96476658      1.36370339
  O     -4.69427739      2.48354740      4.20453538
  H     -7.11664253     -1.48137248     -1.59022674
  H     -7.84468500      1.43064321      2.28569086
  O     -8.05026836      2.11037233      1.62234263
  H     -7.95360148     -1.04059153     -0.36373461
  H     -7.32726616      3.40941597      2.63624203
  O     -6.85963083      3.97028715      3.27335719
  H     -4.55177306      1.08431983      1.32664643
  H     -6.39525707      4.64552399      2.76341697
          69
 Energy    -249.37841992576506     
  O     -0.43989966      0.19944134      2.22603621
  H     -1.21896857     -0.29830440      2.52641744
  H      0.29095818      5.29018904      1.41512254
  O      0.17073776     -0.99585369      6.42165546
  H     -0.77680893      0.96051637      1.73775916
  H     -2.25436847      5.06072983      4.94172294
  O     -4.96208927     -3.46296005      1.39323746
  H      0.71568099     -1.22877584      7.16847379
  H     -2.09793536      5.48169372      6.42247335
  O     -3.01940063     -1.79508402      0.16610119
  H      0.27893244     -1.70425227      5.76146435
  H     -2.31416725      2.93563616      5.75868890
  O     -1.76898842      2.37195117      1.09301033
  H     -4.43686354     -2.93344211      0.77808335
  H     -1.51490598      1.74167808      5.19618914
  O     -3.56575521      0.89321913     -0.43136972
  H     -4.39075831     -4.19875286      1.64234809
  H     -2.00569231      5.25025420      2.68054716
  O      0.89540476     -2.17103374      1.81013017
  H     -3.19660312     -0.92325212     -0.20500282
  H     -3.23504333      4.45169714      3.14680274
  O      0.33912962     -2.90227169      4.53175926
  H     -2.82724343     -1.64449432      1.10423114
  H     -1.73703433     -0.79026395      6.54707806
  O     -2.29690823     -3.71333330      4.30132330
  H     -2.43371344      2.44859093      1.79719345
  H     -2.74339760      0.32493880      6.21687035
  O     -2.87872327     -5.32484914      2.10304115
  H     -1.22225104      3.16411885      1.15990205
  H     -0.23889332      4.32070148      4.91664173
  O     -3.64840410      2.66204401      3.06747267
  H     -2.89349077      1.43899232      0.00733972
  H      0.49810331      3.03984887      4.48259043
  O     -0.33550555      4.67662981      1.78903045
  H     -3.87133710      1.39411566     -1.18430244
  H     -3.52758552     -1.15769775      3.04302130
  O     -1.89565092      4.78484250      5.80455112
  H      1.76579352     -2.05230131      1.43700660
  H     -2.35748281     -2.11088457      3.35293421
  O     -2.39906974      2.01463859      5.48177177
  H      0.49958437     -1.28636653      1.88051126
  H     -5.51668308      0.09771964      2.35390198
  O     -2.76348978      5.28872904      3.27514986
  H     -0.53883675     -3.30889695      4.49479577
  H     -4.93131334      0.76638759      1.07703703
  O     -2.68065546     -0.59705135      6.49809403
  H      0.60378780     -2.73492126      3.62050321
  H     -3.81562963     -1.81445945      6.05287180
  O      0.42887086      3.98778862      4.30473783
  H     -3.06641743     -3.47285838      4.83270627
  H     -4.91383432     -2.80109571      6.51846921
  O     -2.58326593     -1.29223725      2.89334103
  H     -2.57072810     -4.35482164      3.63230116
  H     -5.19367834     -1.84360324      4.15837439
  O     -5.39621919      0.94401585      1.90130857
  H     -2.81184563     -6.25047883      1.88548113
  H     -5.33378572     -2.23439648      2.65380261
  O     -4.40887409     -2.53003892      5.75665317
  H     -2.22028439     -4.85805436      1.55610386
  H     -0.40862818     -3.33196732      1.01407007
  O     -5.33790090     -1.48757929      3.27402210
  H     -4.36750765      2.09725029      2.74954587
  H     -1.74470016     -3.14500033      0.26667521
  O     -1.15932598     -3.81423101      0.64899899
  H     -3.32939506      2.32114780      3.91266207
  H      0.06190209      0.85106275      3.84480755
  O      0.18755819      1.23311176      4.72468517
  H      0.00595569      4.42965166      2.66774438
  H      0.29173495      0.50049532      5.34468115
          69
 Energy    -249.37806663845140     
  O     -2.11049815     12.79728541      8.45791180
  H     -2.94914801     13.25685549      8.33192103
  H     -1.02949455     12.98491511      7.08834500
  O     -5.16530169      8.53963879      4.86771665
  H     -2.30757960     11.89134532      8.72478218
  H     -4.29886547     14.98084379      6.10705401
  O     -1.63378657     14.63859684      4.23454737
  H     -4.99927229      9.05850325      5.67170788
  H     -4.61736472     14.24495166      4.78534120
  O     -4.37791719     10.08725443      6.98774665
  H     -5.93695164      8.00636498      5.04358737
  H      0.31074148     10.62621909      4.66637560
  O     -0.94652456      9.01129439      7.03567155
  H     -2.51356454     14.82460208      4.58803439
  H      1.72230490     10.53384966      5.29363006
  O     -4.32932443      9.39211956      2.24747550
  H     -1.14975831     14.17394688      4.93158409
  H     -5.63087897     11.46555817      7.06511804
  O     -4.44605094     12.14868953      1.64934772
  H     -3.87743689      9.94197111      7.79901714
  H     -6.00793432     12.41405304      5.92528855
  O     -2.47838089      9.99881146      9.01279056
  H     -3.76039510     10.52355668      6.37873460
  H     -1.69933733     13.43634960      1.29899487
  O     -2.36186994      7.80582269      4.95677026
  H     -1.42287178      8.53257980      6.34108333
  H     -1.71626198     13.45119835      2.84629291
  O     -1.88561802      8.28939896      2.15752744
  H     -0.28240460      9.54610437      6.58815533
  H     -2.80719452     16.77833160      2.40123882
  O     -0.79172133     10.57342593      3.28735026
  H     -4.50548635     10.30830495      1.99858645
  H     -1.59918768     16.01092055      2.95476133
  O     -0.64043922     13.02157996      6.20010901
  H     -4.73477897      9.23198641      3.10797671
  H     -1.43384210     15.20134090     -0.65356529
  O     -4.26487208     15.07339530      5.14826608
  H     -4.73679199     12.96557204      1.21946689
  H     -1.82486036     15.55896115      0.80136323
  O      0.80601730     10.69771097      5.50131800
  H     -3.50295093     12.28183563      1.82039724
  H     -5.14997096     13.57701378      7.58375898
  O     -6.10142378     12.28971412      6.87973884
  H     -1.87954080      9.62441376      8.33866214
  H     -4.96310924     14.74846412      8.57671594
  O     -1.74054153     12.86470108      2.07555862
  H     -2.28873690      9.54680468      9.82987448
  H     -3.83801548     14.79742943      0.35634805
  O     -1.87981301     16.57773017      2.22238132
  H     -2.09541131      7.82785258      4.03071153
  H     -4.80336332     15.36954002      1.40627955
  O     -1.90736774     14.87891819      0.10812353
  H     -3.31772137      7.93190569      4.94802352
  H     -4.58020828     16.16084249      3.73822201
  O     -4.53075062     14.27110084      7.87274927
  H     -2.78800166      8.65780278      2.10884151
  H     -5.30215908     17.33111065      3.03814297
  O     -4.73771704     14.71831448      0.69799390
  H     -1.78499326      7.70197122      1.41443973
  H     -2.12906223     12.02108378      5.61241898
  O     -4.66422737     16.63576481      2.89562804
  H     -1.04003356     11.34420289      2.75715253
  H     -2.23188811     10.92876333      4.53495493
  O     -2.74872538     11.41466718      5.18759699
  H     -1.08232932      9.77879954      2.82190613
  H     -5.05566132     12.47836286      3.33395030
  O     -5.07234304     12.60935752      4.28952737
  H     -0.02675663     12.28473184      6.09784042
  H     -4.26897499     12.17937611      4.62141063
          69
 Energy    -249.37776951895529     
  O     15.79846262      9.78991191    -16.83448942
  H     14.96444647     10.07107670    -16.43681680
  H     19.80479960      9.17985539    -15.81910089
  O     17.25379934     13.26893962    -11.20357834
  H     16.42593157     10.52047632    -16.76807428
  H     16.65526964      8.72873519    -15.53439694
  O     19.68998376      8.38704760    -14.14254883
  H     17.36853586     12.93154048    -12.10214825
  H     16.37550343      8.51327014    -14.02837038
  O     14.32317091      5.77496781    -16.43734256
  H     17.85479735     12.75524017    -10.64848788
  H     13.72890276     10.83819925    -14.67060058
  O     16.16454625     10.17825137     -9.31064153
  H     20.00467560      7.51014118    -13.89219888
  H     12.62948231     10.91125108    -15.75366602
  O     15.08867224      8.72784229    -12.78971972
  H     18.75044872      8.29767854    -14.37581299
  H     17.60176752      8.61232373    -11.35905512
  O     17.25609396     11.80725234    -13.63767141
  H     13.84688019      5.15158201    -16.97881051
  H     16.59564778      8.62190488    -10.20522783
  O     20.26565636      5.75626692    -13.36480868
  H     14.90975579      6.27506396    -17.03325448
  H     13.58647963      6.99531766    -15.19586618
  O     18.95389574      5.26536353    -15.85845717
  H     15.57043518     10.83355932     -9.69256274
  H     13.22843592      8.48374590    -14.96717053
  O     16.46190006      5.57355043    -14.60171439
  H     17.03366979     10.59938401     -9.29657590
  H     18.85701864     10.80323683    -10.57875480
  O     17.85835968      5.65619424    -12.14167903
  H     15.55755402      8.29667633    -12.06613641
  H     19.59648618     11.26408735     -9.30083613
  O     19.55008302      9.50296943    -16.69438767
  H     14.44824480      8.13814724    -13.21447583
  H     19.21266584      9.43147192    -12.75454410
  O     16.98968067      8.29265399    -14.74229128
  H     17.49052193     11.78700144    -14.57277149
  H     18.17351942     10.57501554    -12.64967934
  O     13.41328837     10.43218858    -15.49560932
  H     16.30112848     11.67039451    -13.57154032
  H     15.61602883     12.81725764    -10.75763059
  O     16.96576339      8.05050980    -10.89379259
  H     19.43653848      5.67913756    -12.85704788
  H     14.26607735     13.04374945    -10.03631213
  O     13.30724859      7.63088155    -14.52482854
  H     20.92938417      5.27009019    -12.88433533
  H     19.32445916      6.65121888    -18.65937598
  O     18.76910006     11.33610674     -9.76920097
  H     18.06286320      5.19894544    -15.48877085
  H     18.92622451      6.38381561    -17.19118298
  O     18.69430344      9.94993571    -12.12521147
  H     19.53807645      5.34416422    -15.09565438
  H     14.44900932     11.76415618    -12.29598215
  O     14.74250544     12.42361010    -10.58207605
  H     16.67037012      6.51736100    -14.68475162
  H     14.70934070     10.38184554    -12.94895625
  O     18.84241055      7.02051045    -17.92344767
  H     15.67662983      5.43823247    -15.14300915
  H     18.21006420     12.34456406    -16.91795525
  O     14.52964146     11.31789833    -13.14729179
  H     17.24415741      5.51314944    -12.87432322
  H     18.52990863     10.88247538    -16.52356017
  O     17.89418630     11.61109922    -16.39685521
  H     17.50825012      6.38391696    -11.61277352
  H     16.95199029      7.13587759    -18.01754822
  O     15.99713797      7.26289678    -17.96674209
  H     19.31394169      8.71533977    -17.19967735
  H     15.86927805      8.19094826    -17.72577799
          69
 Energy    -249.37774959480964     
  O     -6.90526732      3.08149835      0.06670973
  H     -6.11817102      3.64016492      0.05655626
  H     -4.96839834     -0.29043200      5.01846417
  O     -3.29188598      1.88525844     -3.93559336
  H     -6.90131912      2.62718318      0.91780847
  H      0.22096109      1.80410406      1.90087406
  O     -3.80569522     -1.56239795      1.95138984
  H     -3.97270482      1.45737264     -3.39158977
  H     -0.92106433      0.76619226      1.84569425
  O     -1.33126447     -0.96709914     -1.51446729
  H     -3.47388238      1.63011641     -4.83657952
  H     -1.76461208      2.56536517      0.89522367
  O     -5.07575755      0.62441538     -2.23229668
  H     -4.47896241     -2.05576384      1.46590961
  H     -3.09006391      2.06591768      0.28667971
  O     -5.63886450     -2.69560560      0.16020530
  H     -4.21008106     -1.17986791      2.74107763
  H      1.81880054     -0.24554162      1.26030837
  O     -3.97404858     -1.92158280     -1.82079494
  H     -1.34626349     -0.02884739     -1.75243792
  H      0.62553057     -1.21410059      1.32593948
  O     -1.25721456      1.76504141     -2.09509709
  H     -0.42779499     -1.27352820     -1.66395832
  H      2.72688718      2.21999932      1.30420834
  O     -1.22606392     -0.92372913      1.27303738
  H     -4.77132887      0.70157721     -1.31574180
  H      1.79075582      1.65674259      0.20850200
  O      1.43670846     -1.50441373     -1.59327885
  H     -6.02598972      0.78996146     -2.21215414
  H     -8.55648183      1.47004908     -2.14027064
  O     -6.44125668      1.31073259      2.27060246
  H     -5.03788428     -2.47807652     -0.57592601
  H     -7.49161085      1.95066381     -1.12459505
  O     -4.80987057     -0.07295928      4.10416361
  H     -5.91303845     -3.60006009      0.03317290
  H     -3.44313847      2.55071467      3.62897429
  O     -0.71577084      1.68059397      2.09481271
  H     -4.39222756     -1.11367850     -2.14719386
  H     -2.09068375      1.81950800      3.39646978
  O     -2.42793120      2.77261412      0.22345588
  H     -3.03288765     -1.71676690     -1.74774958
  H     -6.91097177     -1.28468771      0.39172819
  O      1.56618300     -1.16389125      1.10441038
  H     -1.63545239      2.21378055     -1.32712373
  H     -7.65767209     -0.09159015     -0.25876609
  O      1.94263968      1.69500312      1.17028599
  H     -1.88126294      1.87687382     -2.82570542
  H     -3.98624694     -0.03110668      0.84767440
  O     -7.75281858      1.20800809     -1.69975589
  H     -1.29459270     -0.94395901      0.30788468
  H     -5.03573716      1.08484082      0.98255802
  O     -2.90567340      1.79543866      3.91025909
  H     -2.05470657     -1.27939967      1.61860703
  H     -3.68924300      4.02972485      0.21639942
  O     -7.49206693     -0.53756126      0.58055682
  H      1.55872161     -1.46931837     -0.62727725
  H     -4.25598392      5.44495546     -0.03420768
  O     -4.29265967      0.78930127      0.44321049
  H      2.04057587     -2.16324239     -1.92424467
  H     -4.69673269      4.08424452      2.15275012
  O     -4.48455092      4.58182612      0.30165170
  H     -6.91973364      0.63689827      1.75864068
  H     -5.49330955      2.97071049      2.84746418
  O     -4.79800287      3.62190243      2.99313313
  H     -5.98030528      0.84295409      2.97954693
  H      0.55884606      1.61567986     -1.78267684
  O      1.44704075      1.37741784     -1.48286411
  H     -4.07289167      0.56761899      4.08807443
  H      1.54202384      0.43526789     -1.66695202
          69
 Energy    -249.37761371574027     
  O     16.55421163     11.55717420    -12.23376808
  H     16.45183800     11.97125070    -11.36836393
  H     11.18537975      7.79379616    -14.91092569
  O     18.43008806      7.58692163     -8.14523907
  H     17.07518282     10.76093909    -12.07555239
  H     13.06788472     11.82349085     -8.66560162
  O     14.93188744      5.63652585    -11.42226131
  H     18.89894017      7.43125194     -8.97437197
  H     13.15741674     12.19182354    -10.15913356
  O     17.53553879      4.98204876    -10.58177855
  H     17.99718671      8.44553425     -8.24044957
  H     14.71657988      8.63730035    -15.68345113
  O     16.93514878      5.34685258     -7.79707439
  H     14.74295936      5.84364021    -10.49593952
  H     14.75156947      8.47293703    -14.14545368
  O     17.68189768      9.09512582    -11.36616741
  H     14.07854995      5.54622663    -11.87001714
  H     20.21803125      6.60862346    -11.09219769
  O     16.24897816     12.51162567     -9.53307474
  H     17.34984212      4.93855756     -9.63531750
  H     18.75264682      6.21287087    -10.78678940
  O     10.48952917      9.26578833     -9.47476509
  H     16.67609880      5.08199364    -11.01185545
  H     15.21749321      5.84804757     -8.30591164
  O     16.94157608      9.89695855     -8.78727126
  H     17.46406706      6.16409304     -7.83875982
  H     14.44759441      7.17922710     -8.46775449
  O     13.63044862      9.05060163    -10.98005625
  H     17.23341820      4.86434367     -7.03088738
  H     11.70148336     11.12024442    -11.98701553
  O     12.02064742      6.99870020     -9.97331939
  H     18.35936964      8.41521944    -11.26576963
  H     13.09304581     11.61216108    -12.51694828
  O     11.61951829      8.14243593    -14.13427677
  H     17.41507761      9.35351054    -10.47208064
  H      9.47764322     10.09552153    -12.74068000
  O     13.56218109     12.35901074     -9.29557649
  H     16.52709498     13.38519542     -9.27112723
  H     10.75633157      9.25201573    -12.92227791
  O     14.20794627      8.78699095    -14.89045012
  H     15.28170954     12.48053086     -9.41961960
  H     11.58560712     10.70845481     -6.86767118
  O     19.38449191      6.95473983    -10.78608485
  H     10.85650758      8.37143575     -9.52539434
  H     11.48420728     10.11150130     -8.28868050
  O     14.42813964      6.23925747     -8.70000184
  H     10.34992924      9.53165109    -10.38982624
  H     12.12751620      6.54654867    -13.06957959
  O     12.53610227     11.52371377    -11.72607007
  H     16.06812569      9.56771547     -8.53032383
  H     12.06979972      6.09731399    -11.60682073
  O     10.31203122      9.87799049    -12.33023708
  H     16.82792139     10.84026074     -8.96024493
  H     15.11816389     11.54569921    -13.31581670
  O     12.09725306     10.51345869     -7.64824812
  H     13.30943873      9.92406262    -11.23551574
  H     14.28528984     10.65033852    -14.26884279
  O     12.37540870      5.82439818    -12.48422013
  H     14.30204937      8.77343467    -11.61366276
  H     14.17689617      9.07456418     -9.29434418
  O     14.27440057     11.48543826    -13.79238934
  H     12.52055427      7.71937241    -10.39240760
  H     13.65787777      9.47582035     -7.90354574
  O     14.37020600      8.99980776     -8.34547014
  H     12.65175189      6.55786619     -9.39156909
  H     16.34664538      8.37321565    -12.29050769
  O     15.56438814      7.98494398    -12.70582952
  H     12.51007115      8.40722656    -14.41565779
  H     15.41134464      7.11815760    -12.30352518
          69
 Energy    -249.37755013752897     
  O     16.87005254      9.53564963    -12.00979210
  H     17.10309747     10.44999581    -11.80287299
  H     14.84946139      8.78808165     -6.64386794
  O     17.56030164     12.07325899    -11.08943548
  H     17.65873467      8.98692969    -11.88773013
  H     16.93280997      4.01320965    -12.64202789
  O     12.87257670      6.63931663     -8.09437074
  H     18.23173102     11.78942248    -10.44146544
  H     18.09052669      3.01077838    -12.42494593
  O     14.64414347      8.21467026    -13.03217398
  H     17.90303901     12.85136692    -11.52113766
  H     14.67230252      5.88859304    -10.39650466
  O     18.92491957      7.79838271    -11.40621819
  H     13.13537969      7.36377982     -7.51567886
  H     15.35912239      7.02906576     -9.60194164
  O     20.54774330      8.70342048     -9.27175047
  H     13.69464875      6.29430020     -8.46976432
  H     18.74313373      6.90559073    -13.05419647
  O     17.85152626      5.61000072    -10.02058902
  H     15.00281632      7.75359023    -13.80154677
  H     18.36845467      5.44144981    -13.32403202
  O     11.41390940      6.81411576    -10.37728015
  H     15.38412481      8.73282275    -12.68457340
  H     16.89900066     11.78281404     -7.52284427
  O     15.82773966     12.29317985     -8.78246060
  H     19.58585465      8.16635223    -10.80905307
  H     17.68401406     12.09144946     -6.22377502
  O     12.63597163      9.26179070    -11.18901954
  H     18.51448847      7.06105634    -10.92964245
  H     16.92967016      6.63247635    -14.58360047
  O     13.70844947     10.49361420     -9.00096474
  H     19.99473026      8.14382507     -8.69617916
  H     16.16850217      6.79675300    -15.91948986
  O     13.88216026      8.86522027     -6.61436923
  H     21.45576308      8.49227517     -9.07223933
  H     16.23307233      9.02110214    -10.41322055
  O     17.83171941      3.91659133    -12.27837109
  H     17.93086875      4.94121193    -10.71180560
  H     15.06118550      9.35766145     -9.45488436
  O     15.18068965      6.07517945     -9.59523976
  H     16.90594162      5.68405283     -9.82339790
  H     19.75176888     10.37987624     -9.20020460
  O     18.44196493      6.30568791    -13.74824148
  H     10.50901989      6.54572011    -10.24518917
  H     18.80361019     11.24722513     -8.33457323
  O     17.55592024     11.42711105     -6.89536211
  H     11.85756735      6.75151898     -9.51222705
  H     12.76566348      6.09418207    -11.46579959
  O     16.04217226      6.70169683    -14.97916627
  H     16.27529602     12.28504495     -9.63638015
  H     13.94714965      6.71360089    -12.26447015
  O     15.79857392      8.74959271     -9.59657583
  H     15.01596734     11.77764471     -8.88694072
  H     18.12482198      7.56260234     -7.42472491
  O     19.26139033     11.21080920     -9.18317077
  H     13.23273486      9.01095991    -11.90371858
  H     18.52502175      6.48815037     -8.47520425
  O     13.61266069      5.88909337    -11.87922100
  H     12.12941195      8.47022425    -10.96809302
  H     16.45849272      8.74600458     -7.96193132
  O     18.87772954      7.13032541     -7.84461203
  H     13.52146858      9.98489853     -8.20378431
  H     17.02320192      9.65238529     -6.84336207
  O     16.65591950      8.77415215     -7.01114030
  H     13.20930870     10.11985267     -9.74500878
  H     14.69061814      4.73607274    -12.84798353
  O     15.40703465      4.39229451    -13.39855039
  H     13.65430018      9.07262541     -5.71104702
  H     15.55988785      5.07396827    -14.06467588
          69
 Energy    -249.37751952354978     
  O     10.99519519     10.71761129    -16.13645641
  H     11.37526486     10.07523801    -15.51077464
  H     14.46459924     10.56983811    -12.96332143
  O     13.66742975      9.53104408    -19.96509149
  H     10.15185587     10.98465828    -15.78082751
  H     17.47350446      9.84412008    -15.05305021
  O     12.10322495      6.18416314    -17.08976081
  H     13.55460842      9.31303709    -20.88714895
  H     16.97424246      8.51252362    -14.39228445
  O     13.43561024      7.89440503    -10.60240176
  H     14.25282297      8.85121274    -19.58623506
  H     15.38681154      5.65032017    -11.03199042
  O     17.57423847     11.68821996    -18.03215439
  H     11.80216862      6.16251639    -16.17453935
  H     16.47414078      6.01307553     -9.99060296
  O     14.99455824     11.76613221    -18.79095676
  H     11.86333804      7.04913568    -17.45392827
  H     12.67922055     11.55622713    -16.33567101
  O     17.71152047     11.70335231    -15.24321133
  H     13.60444339      8.65135984    -11.17931863
  H     14.02454389     10.79685736    -16.35696079
  O     14.32285001      4.56006578    -11.90235142
  H     14.29218482      7.47377428    -10.45966135
  H     14.71637304      4.52657380    -17.63128495
  O     11.59906572      8.71334268    -18.12918640
  H     18.08388109     12.18685763    -18.66561598
  H     13.71265014      5.65218304    -17.26989325
  O     14.62489229      9.08134745    -16.22915056
  H     16.64679944     11.73093166    -18.32882380
  H     16.12119367      7.33812609    -12.23681630
  O     15.27330093      7.78086471    -18.65917248
  H     14.53634223     11.07120632    -19.27819964
  H     15.33964632      8.49545231    -12.91397814
  O     14.07326489      9.75306095    -12.62155849
  H     14.46689561     11.92154745    -17.99511387
  H     12.32260936      6.64344126    -11.11944472
  O     17.25359894      8.91963851    -15.22410563
  H     18.46916198     12.22011101    -14.97857931
  H     11.13004492      5.71539093    -10.78883472
  O     15.89508239      6.38769116    -10.64816963
  H     17.66599544     11.75112844    -16.21175761
  H     14.83489779      5.64581832    -15.40349625
  O     13.63442842     11.68564966    -16.37284565
  H     13.41704286      4.83876471    -11.71826303
  H     15.16886886      6.46627248    -14.11004828
  O     14.66057155      5.41724495    -17.29462814
  H     14.47766676      4.76831109    -12.83409337
  H     17.75009116      9.74270453    -18.11186670
  O     15.99386012      7.79904064    -13.07453351
  H     11.32145796      9.44777461    -17.57068544
  H     17.68994084      8.67716789    -17.01253803
  O     11.80560512      5.88263260    -11.44029123
  H     12.21364651      9.07829442    -18.77610684
  H     12.10598221      7.98775866    -14.46581649
  O     14.66843605      5.71544442    -14.45659282
  H     15.50616408      9.06067481    -15.83571937
  H     13.13796641      8.87096309    -15.22751556
  O     17.71666813      8.78920701    -17.97375594
  H     14.70242871      8.64976742    -17.08765940
  H     11.72337852      6.06458123    -13.29893133
  O     12.36747663      8.90136221    -14.63875827
  H     15.15436888      6.90742573    -18.26643854
  H     12.87824438      6.01135280    -14.32245776
  O     11.93632534      6.22178245    -14.22676820
  H     16.18816628      8.06554487    -18.50693537
  H     16.02005194     11.92658294    -14.32970046
  O     15.12304003     11.91351464    -13.97858577
  H     13.37999290      9.50112956    -13.24758910
  H     14.54751185     12.01186180    -14.74902812
          69
 Energy    -249.37641844646947     
  O     17.04321461     10.80819404    -15.00159671
  H     16.45445921     11.52287973    -14.73387121
  H     16.40543124     12.36968725    -10.90175485
  O     15.25143472      6.26980659    -11.41921447
  H     17.48682651     10.51588264    -14.19277776
  H     15.19053406      9.26893197    -10.89393379
  O     11.58758839      8.98825210    -12.64390630
  H     14.30993041      6.40861475    -11.24419612
  H     15.40934950      8.06169216    -11.82937153
  O     13.53692964     11.97631463     -9.48732019
  H     15.30607797      5.70536267    -12.19956266
  H     16.61629119      9.39900350    -15.90433956
  O     19.05174787      7.19519131    -12.63936491
  H     12.30730060      9.56385923    -12.94687665
  H     16.76089098      8.62822384    -17.23592270
  O     13.76648732     10.38476932    -13.53795060
  H     11.29833645      8.49476887    -13.42026592
  H     12.03431270      5.97624076    -14.11019439
  O     17.49542634      9.15850546     -8.52203470
  H     13.19370360     12.65541172     -8.91194770
  H     12.38273110      5.68589687    -12.63867284
  O     15.11088420      4.78325996    -13.82518750
  H     12.77333957     11.44954309     -9.78278116
  H     16.44818571      5.98652538    -14.36264674
  O     14.80439952      9.52182169     -9.06570886
  H     18.39149813      6.94606378    -13.31250531
  H     16.89136926      7.25275546    -15.13991604
  O     17.66152229      7.00939079    -10.16233653
  H     19.88929697      6.84976081    -12.93517805
  H     11.66296502      9.52353055     -9.55144957
  O     12.54115394      8.05525361     -8.60658833
  H     14.38724554      9.92147459    -12.95465677
  H     11.38265470      9.90533936    -11.01597721
  O     15.61232460     12.76733983    -11.28989082
  H     14.15052803     11.24799438    -13.72751472
  H     12.24705628      7.58345280    -11.64909368
  O     15.40241954      9.02738160    -11.80385334
  H     17.59299789      8.38014488     -9.10074316
  H     12.45009194      7.09450767    -10.19900846
  O     16.38561462      8.56946282    -16.36126878
  H     18.04467746      9.00267627     -7.75877813
  H     12.15323247      7.84063178    -15.35502560
  O     12.47515981      5.33801246    -13.53505640
  H     15.20203618      3.84033598    -13.93654408
  H     10.70179666      7.47032186    -15.74846208
  O     17.17721155      6.60628868    -14.48272642
  H     14.15518218      4.96804179    -13.81092326
  H     17.78929115     10.72559206     -9.63026856
  O     11.50768720     10.27733584    -10.13306245
  H     15.72342694      9.47651460     -8.77074898
  H     18.04178508     10.94125445    -11.12537804
  O     12.53616926      6.82493637    -11.12114556
  H     14.52368311     10.44599958     -9.10563475
  H     13.68836833      9.31544394    -15.02166175
  O     11.32242107      7.44902103    -15.02557792
  H     18.22868319      7.03677754    -10.94292136
  H     14.52439295      8.52231278    -16.03583759
  O     17.81874140     11.40921466    -10.30795075
  H     16.81655027      6.65631115    -10.47154933
  H     15.05162344     13.62819455    -14.24502115
  O     13.62333326      8.64961130    -15.72082551
  H     13.39170658      8.51541526     -8.71755887
  H     15.40165214     12.79926764    -12.98584537
  O     15.21842397     12.74030082    -13.94227955
  H     12.48425953      7.79398768     -7.69147042
  H     18.48172648      8.97640075    -12.60810150
  O     17.97313818      9.79509573    -12.58107846
  H     14.87729819     12.54494115    -10.70867567
  H     17.07590204      9.54586567    -12.31005178
          69
 Ord_Energy   -249.376328    
 O   -10.9409742      -15.3790779       7.80449390    
 H   -11.5949812      -15.9701385       8.16859245    
 H   -10.9976940      -14.5644188       8.32833862    
 O   -11.1891727      -7.70478010       7.24804449    
 H   -10.8159237      -7.76571131       8.13672066    
 H   -10.4897404      -7.99951553       6.64694452    
 O   -7.79759073      -9.51409054       8.66112900    
 H   -7.94550896      -10.4687119       8.60875988    
 H   -7.33017206      -9.28014946       7.85168695    
 O   -6.58879805      -9.05295658       6.08423662    
 H   -5.75428343      -8.62340355       5.91743374    
 H   -6.50981712      -9.95853710       5.73359585    
 O   -9.30845642      -8.72354317       5.47942638    
 H   -8.35799503      -8.62554264       5.60291147    
 H   -9.49639606      -9.65647316       5.67708635    
 O   -11.1890736      -8.92790508       3.46053743    
 H   -10.4888783      -8.80960846       4.12024450    
 H   -11.8104715      -9.59065819       3.79678249    
 O   -6.77360201      -13.9358482       6.66957855    
 H   -7.58553171      -14.3420849       6.31253910    
 H   -6.17934752      -14.6507139       6.87926435    
 O   -12.8076143      -7.08974457       4.98305273    
 H   -12.2824984      -7.08761406       5.79462767    
 H   -12.2551975      -7.51319456       4.31438446    
 O   -8.41459560      -12.1727648       8.10801888    
 H   -7.76359749      -12.8171005       7.80724621    
 H   -8.85555935      -11.8565493       7.30307913    
 O   -12.3356323      -11.9549675       6.67945004    
 H   -11.9555893      -12.4394407       7.42285919    
 H   -12.6751041      -11.1249170       7.04913330    
 O   -13.2764282      -9.52602959       7.62046671    
 H   -13.9655600      -9.30672741       6.98344612    
 H   -12.5612364      -8.88686085       7.48283148    
 O   -11.9643898      -12.5317087       2.35051465    
 H   -11.3858309      -11.8962269       1.91203928    
 H   -12.5043526      -12.0113211       2.95978689    
 O   -13.1216364      -10.8381758       4.27738333    
 H   -12.9017019      -11.3568554       5.06488085    
 H   -13.8344440      -10.2409163       4.53491259    
 O   -14.8448057      -8.84826183       5.34165430    
 H   -15.7104053      -8.48228455       5.18312120    
 H   -14.2008591      -8.13364792       5.18554401    
 O   -8.65633106      -12.1655865       3.39549279    
 H   -9.03176308      -11.5844135       2.72209644    
 H   -9.05633354      -13.0355301       3.26759982    
 O   -10.0554295      -10.5265913       1.55332232    
 H   -9.85727024      -10.0798903      0.734566152    
 H   -10.4438448      -9.86343098       2.14912486    
 O   -9.97385025      -8.30159283       9.70868778    
 H   -9.70629597      -7.78525114       10.4643574    
 H   -9.16712856      -8.71753407       9.35430241    
 O   -9.77418613      -11.3523951       5.84680748    
 H   -9.46982193      -11.7360640       5.01517248    
 H   -10.6807508      -11.6320505       6.02522135    
 O   -10.9684591      -12.8793049       8.96990204    
 H   -10.0372915      -12.6877661       8.78758335    
 H   -11.3200769      -12.1042528       9.43129063    
 O   -10.2521305      -14.4725208       3.19213843    
 H   -10.3023968      -15.2085495       2.58720660    
 H   -10.9509373      -13.8494205       2.92650056    
 O   -6.46507502      -11.5797710       5.08061981    
 H   -6.44941044      -12.3680086       5.63719797    
 H   -7.11838675      -11.7649641       4.39323092    
 O   -9.09052181      -14.9781809       5.76989079    
 H   -9.75324059      -15.1697397       6.44915104    
 H   -9.56401062      -14.8600321       4.94035482    
 O   -11.8833733      -10.4561682       9.92794323    
 H   -12.5424366      -10.1401024       9.29740143    
 H   -11.2120743      -9.76364994       9.95925140    
          69
 Energy    -249.37616422564832     
  O     14.43920595      9.91870462    -10.84920490
  H     14.25485147     10.44264877    -11.64184299
  H     13.12796368      8.88451599    -10.20233750
  O     14.00856349     10.46670792    -16.71292750
  H     15.30514781     10.19349879    -10.52455648
  H     18.62160781      6.43440367    -12.86229416
  O     16.97746368     10.47977051    -13.10897221
  H     14.02258955     11.36040770    -16.34721763
  H     18.38565879      7.00625664    -14.27643977
  O     12.82068939      5.04368347    -12.74631247
  H     13.48596843      9.93587447    -16.09970327
  H     15.43979795     12.79920437    -15.38801409
  O     16.89201828      8.04711207     -8.91215709
  H     17.17295411     10.43293875    -12.16656883
  H     14.34560666     13.88699638    -15.52927681
  O     17.08352877     12.18096823    -15.38903633
  H     16.02667789     10.64669977    -13.18406742
  H     12.31535692      8.53252825    -13.89732272
  O     15.38283975      7.42452319    -11.95230210
  H     13.33854796      4.91445360    -11.94139040
  H     13.63693666      8.33684292    -14.66687651
  O     14.21584282     11.06826176    -13.30438360
  H     13.39305568      4.78887111    -13.48003370
  H     16.80616850      9.93136075    -18.14680312
  O     17.02884551      4.01667824    -13.70733450
  H     16.04367763      7.64475441     -8.69571753
  H     15.69647731     10.10292574    -17.08239379
  O     14.67022367      4.48554176    -14.86071599
  H     17.33814533      7.44544040     -9.52495244
  H     10.56180108      7.22972295    -12.62926268
  O     16.97280854      3.81872858    -10.86006915
  H     17.08995884     11.50829371    -16.08219157
  H     11.95095000      6.55806969    -12.67819583
  O     12.54130092      8.14755495     -9.97302873
  H     17.24776309     11.70641288    -14.56362310
  H     13.92950990      6.80376201     -7.45541542
  O     18.69014899      6.22277095    -13.80149449
  H     15.03290037      8.25378661    -11.60814565
  H     13.59962389      7.30097098     -8.88130592
  O     14.47917585     12.95948234    -15.35658721
  H     15.19842771      7.38187332    -12.89885402
  H     14.43946004      5.54577698     -9.69056609
  O     12.91049914      8.96468416    -14.52096260
  H     13.72033810     10.35458066    -13.73341247
  H     14.84455794      5.94185798    -11.11474780
  O     16.65738030     10.00948161    -17.20823214
  H     14.20984044     11.82020951    -13.90727000
  H     17.04664468      6.88538651    -11.43824771
  O     11.49727974      7.41522931    -12.58880957
  H     17.05640764      3.80638329    -12.76760427
  H     17.71777935      5.57921859    -10.94363505
  O     14.26831034      6.83529855     -8.34611978
  H     17.66369669      4.73698172    -13.84032710
  H     15.88926494      7.55518390    -14.89293209
  O     14.61173562      5.17556956    -10.56476707
  H     15.52751700      4.25785640    -14.45448585
  H     14.93527416      6.29647958    -14.86916597
  O     17.86552743      6.52652075    -11.06018813
  H     14.54460461      3.88930354    -15.59343629
  H     17.11000104      9.57448174     -9.71979695
  O     14.99422727      7.24482018    -14.69990828
  H     16.08690557      4.19070823    -10.70969022
  H     17.60313581     11.03842870     -9.69784767
  O     17.13209318     10.40334691    -10.23094093
  H     17.08445792      3.10403860    -10.23890281
  H     17.29619161      8.94212820    -15.82472795
  O     17.44835651      8.47359036    -14.99430564
  H     12.13345079      7.87695105    -10.80256149
  H     17.36348503      9.12892277    -14.28630301
          69
 Energy    -249.37593377083505     
  O     15.16714761     12.86881858    -16.07290350
  H     14.75758849     13.72009835    -16.20320902
  H     19.01194581     11.52869650    -18.36065193
  O     15.46601195      6.20654293    -14.24833754
  H     14.62671043     12.39816766    -15.41412358
  H     17.45385713      8.05168439    -15.82030067
  O     18.98501731      8.40985050    -12.24795713
  H     16.19386518      6.01536739    -13.63909167
  H     16.35902954      7.73940619    -14.78426347
  O     18.16539711      6.68956721    -16.96695177
  H     14.81057100      6.73155215    -13.76763642
  H     14.13916415     11.17142217    -13.48798838
  O     15.39116826      5.81239426    -16.97348656
  H     18.52906708      9.18619227    -12.60473452
  H     13.18146832     10.72808108    -14.61338827
  O     15.53103589      9.62737458     -9.51305112
  H     19.74051404      8.25037834    -12.82742399
  H     15.73509774      6.10379626    -10.10355153
  O     13.77330761      7.98423961    -12.99030145
  H     18.56348832      6.16486823    -16.25210254
  H     16.42662706      4.92685888     -9.37257000
  O     17.54969455     10.41117958    -13.47986234
  H     17.29269288      6.32222514    -17.13800925
  H     13.20763979      8.88990043    -15.93441242
  O     14.34837423      7.14516909    -10.33166427
  H     15.08446059      4.94323818    -17.21887288
  H     11.67441273      8.97874935    -15.74717014
  O     19.92419767      8.79650459    -16.55391454
  H     15.38128777      5.84732543    -16.00072148
  H     21.88021626      7.97333656    -14.21985748
  O     19.33806937      5.55327134    -14.76106727
  H     15.49817477     10.12669410     -8.70182103
  H     20.60508075      8.28919435    -15.03507319
  O     18.64611554     11.09336651    -17.59423630
  H     16.40028874      9.18775849     -9.53947255
  H     17.31045356      5.72949992    -11.67917284
  O     16.81066224      8.46718152    -15.23205409
  H     14.27605614      8.76899503    -12.72190374
  H     18.05524774      6.84162400    -12.46360275
  O     13.68981242     11.47880689    -14.28697057
  H     13.18787574      8.27148877    -13.70061309
  H     17.54679519      7.29358752     -9.68127679
  O     16.58238520      5.63661356     -9.98928129
  H     17.30855872      9.75011725    -14.14832464
  H     18.35619640      8.32655638    -10.49615834
  O     12.50478612      9.05930254    -15.28481768
  H     17.74956547     11.22429281    -13.96266772
  H     15.61161246     11.59262113    -17.36312099
  O     20.93064618      7.88770379    -14.20903018
  H     13.99960745      7.32141943    -11.21415124
  H     15.40857377     10.12570461    -17.80702243
  O     17.61459006      5.98444889    -12.55880790
  H     14.60926800      8.00339344     -9.97319170
  H     16.00563703     10.37799938    -12.59760301
  O     17.83509449      8.21433473     -9.68942953
  H     19.41832250      8.06160490    -16.92720208
  H     15.24157000     10.17695930    -11.25356896
  O     15.95163519     10.90727707    -17.95507598
  H     19.51869078      9.60605938    -16.88666200
  H     16.97695796     12.73120233    -15.46229365
  O     15.12552001     10.27426257    -12.20609038
  H     19.99743942      6.22723644    -14.55253708
  H     18.27171903     12.09245243    -15.98842407
  O     17.88204992     12.50875590    -15.20948224
  H     18.76394099      5.50785706    -13.98596966
  H     15.38909980      8.74192906    -16.33997417
  O     14.64979052      8.56508151    -16.94325009
  H     17.69776025     10.96999399    -17.77427547
  H     14.75987747      7.63974457    -17.19266172
          69
 Energy    -249.37574485135028     
  O     14.47058438     11.60514495    -11.14893528
  H     14.62657094     11.04336157    -10.38212874
  H     18.45577096      9.73028671    -10.30979266
  O     14.34355351      5.21304369    -11.41788067
  H     15.34146575     11.71135975    -11.56129282
  H     15.70640182      8.97008342    -13.73906734
  O     18.69636980      6.55864947    -10.53832025
  H     13.44811398      4.85571676    -11.37741474
  H     16.89911081      8.17019548    -13.10785208
  O     17.31864491     10.96024251    -15.17991830
  H     14.31192867      6.14297480    -11.14799381
  H     12.46767322     11.88999540    -13.55023227
  O     10.47563134      6.34417208    -12.83764331
  H     18.08391992      5.81913885    -10.69984138
  H     13.47632295     11.31112129    -12.53080443
  O     13.16522157      7.36760743    -15.04046208
  H     19.45845815      6.18995113    -10.09822294
  H     13.34352287      4.06273011    -14.40126846
  O     14.37687089      7.91794985    -10.96206512
  H     17.16805125     11.33488141    -14.30142222
  H     12.19355471      3.68512560    -13.45403060
  O     19.50732623      9.65785392    -13.97214856
  H     16.47847871     10.55164802    -15.41760933
  H     14.20645369      8.89553434    -15.32265615
  O     11.00173499      5.64564930    -15.58773583
  H     10.97099976      7.16450434    -12.70484399
  H     14.14014496     10.26138313    -14.59818357
  O     18.41960679      7.15666536    -13.28757933
  H     10.48326119      6.17832407    -13.78798988
  H     16.10258819      4.67736876    -11.20965965
  O     17.44386279      4.65665964    -14.13860809
  H     12.42652395      6.86066810    -15.39880311
  H     17.24466561      4.41044457    -12.21218937
  O     17.85967300      9.17457058     -9.79312851
  H     12.85517423      7.73778700    -14.20010172
  H     14.65588082      5.28559448    -13.19892172
  O     16.11119636      8.69046222    -12.90714343
  H     14.57554687      8.47041505    -10.19761116
  H     14.33596741      6.04212033    -14.52162291
  O     12.97229389     11.10874513    -13.33993124
  H     15.01719330      8.16906914    -11.64845695
  H     11.22237650      5.00188173    -12.01448540
  O     12.45689233      3.67923490    -14.38286277
  H     18.83412362     10.07784161    -14.52655881
  H     11.12905839      3.78168257    -11.06634567
  O     14.72082129      9.68743648    -15.11602244
  H     19.23570482      8.73731442    -13.86446408
  H     20.29667116     11.28437783    -11.36220995
  O     17.05722933      4.53726640    -11.27445523
  H     11.47170942      4.86815554    -15.23644676
  H     19.58766601     10.36960995    -12.38852047
  O     14.80364404      5.27972304    -14.15680092
  H     10.46665926      5.34067382    -16.31514182
  H     12.35441788      9.42563119    -12.86856275
  O     11.71812749      4.24319777    -11.65699774
  H     18.62044576      6.98873850    -12.35707894
  H     12.92284003      8.29318282    -11.97569904
  O     19.50754533     10.76879055    -11.50256710
  H     18.17055849      6.30921010    -13.67635519
  H     16.23316448      9.58593906     -9.32253540
  O     12.25521310      8.49111875    -12.64774030
  H     16.49994090      4.86225588    -14.25761876
  H     15.28069880      9.89305230     -8.14407735
  O     15.30327571      9.76020851     -9.08771499
  H     17.67479852      4.01775324    -14.80754174
  H     16.66646533     10.42642036    -12.48607124
  O     16.90520841     11.36136903    -12.38786420
  H     18.10142692      8.26268767     -9.99609303
  H     17.79702600     11.36400863    -12.02132275
          69
 Energy    -249.37491551143910     
  O     16.08117024      9.39323222    -11.41731322
  H     16.45332239      9.13147890    -10.56421832
  H     11.11943738      6.69956720    -10.51925841
  O     16.47535688      4.21706064    -10.93955975
  H     15.28270396      9.90636306    -11.22148915
  H     13.71384989      7.49166167     -5.70509638
  O     14.04247204      5.43631537    -11.40557654
  H     17.01481518      4.81114642    -10.39908370
  H     14.64724206      6.28707244     -5.91128497
  O     19.65450445      6.45974353    -11.99269499
  H     16.87861949      4.22317529    -11.81975108
  H     15.08226487      8.23724335    -12.40168170
  O     15.09002483      2.74850272     -9.04279287
  H     14.18101109      6.16587122    -12.02440630
  H     13.65939507      8.11421279    -13.02357417
  O     18.13374146      8.41672260    -13.08595135
  H     14.87710081      4.95463280    -11.31879478
  H     18.79461616      6.12775270    -10.38087421
  O     17.05470624      8.27593716     -6.16057380
  H     20.57774044      6.61032602    -12.17661269
  H     17.79404457      6.87230550     -9.45891853
  O     14.90036639      4.76325558     -7.18669019
  H     19.16690900      7.21992496    -12.35859477
  H     18.50433260      5.20533530    -12.92542176
  O     16.85869995      8.36145240     -8.96747409
  H     15.61429460      3.15852488     -9.74935266
  H     17.29883934      5.34189182    -13.87011222
  O     14.59159408      6.85170801     -9.07403639
  H     15.35099381      1.83080778     -9.02079836
  H     11.14556534      7.79137135     -5.61246911
  O     12.66215777      8.80543956     -8.69486677
  H     17.49200196      8.89404033    -12.54313882
  H     11.85990802      6.84219151     -6.60493878
  O     11.05264948      7.64661096    -10.68373618
  H     17.62329471      7.96042183    -13.76589376
  H     11.26890597      4.08698296    -10.47655026
  O     14.62225815      7.19180398     -5.58013198
  H     17.39492475      8.77856318     -5.42539887
  H     12.49914400      5.00517683    -10.64033738
  O     14.51949563      7.67875515    -12.95896137
  H     16.16324553      7.97733737     -5.90662935
  H     13.02384533     10.10217548    -11.53929849
  O     18.18339688      6.00552538     -9.64367321
  H     14.89409659      3.99146175     -7.77201412
  H     13.26831397     10.02803338    -10.02333665
  O     17.76211415      4.71485132    -13.30124262
  H     15.83642132      4.96325315     -7.02187777
  H     17.88201474      5.56969759     -7.83102691
  O     11.89003524      7.73056722     -6.20481978
  H     17.01880999      8.51639574     -8.02917473
  H     17.52207616      6.42969566     -6.60267283
  O     11.65907054      4.89934828    -10.16269203
  H     16.02813963      7.85949829     -9.01341623
  H     11.89011311      5.13423232     -8.29255928
  O     13.60093598     10.42668423    -10.83870342
  H     14.67081602      6.16840808     -8.39702649
  H     12.96709274      4.94279793     -7.20680285
  O     17.50236065      5.52721838     -6.94303067
  H     14.39509996      6.40494579     -9.90641031
  H     11.35431416      9.31128896    -13.35963498
  O     12.07297789      5.27279890     -7.35479112
  H     12.31843747      8.64925178     -7.80803634
  H     11.62388553      8.46095772    -12.09416866
  O     12.05222101      8.95391647    -12.81793847
  H     13.36223747      8.14655809     -8.81855994
  H     15.66972993      7.09100015    -14.18355144
  O     16.41750014      6.81021184    -14.73727054
  H     11.50208602      8.07978284     -9.94449052
  H     16.13896114      6.90417620    -15.64471191
          69
 Energy    -249.37457178562417     
  O      0.83179947      0.65885816      2.84494999
  H      1.35434545      0.31796880      2.10494965
  H     -2.76744157      2.13942829      6.16570123
  O     -2.90639110     -0.59414388     -3.20420765
  H     -0.09605759      0.56893272      2.57681177
  H      0.82882426      3.70516258      1.38403308
  O     -0.48163969     -0.36852734      5.13687656
  H     -2.94936483     -0.31122719     -4.11424277
  H     -0.45418420      3.95625421      0.57103309
  O     -4.38517292     -0.54941001     -0.76240772
  H     -2.10650683     -0.19336852     -2.82502309
  H     -3.39538705      0.90224421     -0.34892494
  O     -1.95570823     -3.12154604     -2.12718351
  H      0.11119147     -0.02108272      4.45683046
  H     -1.94735497      1.23872595     -0.77582728
  O      0.11645819     -2.00080953     -0.66802778
  H     -1.17286952      0.29182740      5.25824147
  H     -2.46027274      0.04276943      2.64359264
  O     -3.76163259     -2.90174018      4.25706334
  H     -4.09259600     -0.55934864     -1.68185345
  H     -2.06284024      0.67153299      1.26977480
  O      1.21911803      3.31763647      3.17924103
  H     -4.05028160     -1.37203765     -0.37344803
  H     -2.65439213     -2.87236757      0.84350963
  O     -0.71784567      0.39683432     -1.80745359
  H     -2.53685550     -3.22928358     -1.36136228
  H     -4.17030960     -3.19679998      0.88118148
  O     -3.83906241     -0.19315236      3.74075961
  H     -2.33811011     -2.40053577     -2.63961604
  H      1.51341984     -0.89273999      0.06017737
  O     -2.32588247      3.98657796      0.92131663
  H     -0.44683979     -2.49818684     -1.27869530
  H      1.93345350      0.57449708     -0.12775500
  O     -2.57672619      1.70643231      5.33783778
  H     -0.19297019     -2.24174806      0.21687754
  H     -1.90612470      3.72842790      2.75487560
  O      0.49066527      3.78474173      0.48306429
  H     -2.83241647     -3.10222983      4.41065046
  H     -0.60784936      3.57359065      3.56930351
  O     -2.67634410      1.53466129     -0.21219391
  H     -3.80220404     -1.93572121      4.18333257
  H      2.14453044      2.47461137     -1.84694294
  O     -1.72995076      0.17054277      2.02181013
  H      1.14534286      2.34958888      3.09936709
  H      1.13759907      2.69621433     -0.69265963
  O     -3.44521672     -2.95469625      0.29201187
  H      1.99251233      3.49476466      3.70742131
  H     -0.76806656     -2.07497121      4.80296236
  O      1.98958202     -0.16801874      0.48521053
  H      0.03940628      0.99493729     -1.77796080
  H     -0.33189655     -3.53505373      5.05828358
  O     -1.57020330      3.55712485      3.64258429
  H     -0.43835587     -0.42702533     -1.38029196
  H     -0.97595936     -2.79852945      2.66069847
  O      1.47557814      2.03826859     -1.32639475
  H     -4.59062228     -0.04717387      3.14789441
  H     -1.30987698     -1.53612437      1.83369147
  O     -0.91524551     -2.99766981      4.52921504
  H     -3.67350242      0.56741792      4.30955577
  H     -6.12646307     -3.95855236      2.40855322
  O     -1.11531992     -2.48368574      1.76093097
  H     -2.96669413      4.61432959      0.59678764
  H     -4.87512403     -3.24505753      2.97520704
  O     -5.47101978     -3.29709177      2.20539467
  H     -2.52974314      3.13440382      0.49999747
  H     -5.81058258     -1.39373278      1.92372479
  O     -5.75081555     -0.43998020      1.77872551
  H     -2.23503943      2.39216877      4.73706627
  H     -5.45470596     -0.34271217      0.86602086
          69
 Energy    -249.37456438327655     
  O      1.33744165     -1.00246315      5.02208725
  H      0.94584035     -0.11026300      5.00726585
  H     -2.42760543     -0.86459319      5.54805148
  O      2.30220335     -0.78124572     -1.81484835
  H      2.00012370     -0.99342554      5.70864061
  H      0.44071671      1.50894210      1.61702990
  O     -1.20569541     -2.11254776      5.83645151
  H      3.03771904     -0.90698466     -2.40723139
  H     -0.74884843      2.53169834      1.72616133
  O     -0.46768127     -0.25521105     -1.28705703
  H      2.16456237     -1.63037754     -1.35737638
  H     -3.21473636      1.02718760     -0.49493913
  O      1.69519717     -2.99549917     -0.33709365
  H     -0.32908642     -1.86545967      5.51779686
  H     -1.86881554      0.99943242     -1.23992358
  O     -3.61978850      2.91163502      3.25207625
  H     -1.49740989     -2.87314025      5.32045915
  H     -2.42073111     -0.16401283      3.48604268
  O     -4.68192280     -3.59582088      2.79329879
  H     -0.04680154     -0.00107786     -0.45373994
  H     -1.43033305      0.54076735      2.50443729
  O      0.20709420      1.45973750      4.90708115
  H      0.28269019     -0.41148966     -1.87114026
  H     -1.16637836     -2.86073965      0.44681847
  O     -5.83428727      1.22370253      2.53494513
  H      1.81660261     -2.76007225      0.59092247
  H     -1.07605655     -1.99708980     -0.84216659
  O     -5.41152953     -1.03078921      3.95982301
  H      0.75077056     -3.15788627     -0.45598463
  H      0.69308318     -2.19696961      2.27589330
  O     -2.08644812      3.49410880      0.88495723
  H     -4.38550675      2.38182315      2.99907570
  H      1.68903595     -1.55849273      3.24622009
  O     -3.08648754     -0.24663275      5.19714868
  H     -3.15601822      3.13829854      2.43761113
  H     -2.82072015      2.65546531      4.77953252
  O     -0.21485107      1.89441291      2.21546435
  H     -5.46291984     -4.13509163      2.69438377
  H     -2.65814922      3.09374186      6.25421363
  O     -2.57805237      1.59012437     -0.95837475
  H     -4.41319818     -3.33204548      1.89424780
  H      1.57320120     -0.36479318      1.26317050
  O     -2.05604735     -0.18941944      2.59134268
  H      0.16935378      1.71176472      3.97299893
  H      1.92380580      0.16340439     -0.15449353
  O     -1.21470123     -2.89869096     -0.52191164
  H     -0.60615334      1.80524981      5.29106497
  H     -2.31345212     -5.11487859      4.32722886
  O      1.59207556     -1.83591632      2.32719469
  H     -5.75223531      0.41487550      3.07314939
  H     -3.19389653     -3.99078286      3.73625710
  O     -2.39562227      2.42642645      5.62618996
  H     -6.75498906      1.47026471      2.54636562
  H     -1.39998882     -1.79611301      2.35702650
  O      1.46317547      0.38797702      0.66278128
  H     -4.64979176     -0.78780723      4.50821290
  H     -1.38673878     -3.27587716      2.84838620
  O     -2.33172063     -4.17877249      4.14213672
  H     -5.20129506     -1.88669140      3.57312428
  H     -4.09882436     -1.81885429      0.33387749
  O     -0.99961813     -2.66768372      2.21007372
  H     -2.27755208      2.85576975      0.17410430
  H     -3.12799672     -2.93272787     -0.11859134
  O     -3.97050674     -2.77810293      0.32312862
  H     -2.04986189      4.35581428      0.47886853
  H     -3.36290617     -0.08861396      1.35494952
  O     -4.09233085     -0.01829272      0.71921330
  H     -2.87204981      0.64178949      5.50502503
  H     -4.80790195      0.42315532      1.19146976
          69
 Energy    -249.37454156965327     
  O     -4.47677441      0.78035649      2.51922636
  H     -3.99558524      0.67390458      3.35962663
  H     -2.40294462     -2.39976434     -1.37652723
  O     -2.44934137     -1.25967652      6.95784871
  H     -5.05804661      1.52774369      2.63180515
  H     -1.80020439     -4.77483777      0.83842051
  O     -0.46307773      0.27993934      3.78603653
  H     -2.35988410     -1.02421705      7.87779431
  H     -1.86687986     -5.92468138     -0.19417599
  O     -3.03456037      0.51586158      4.76650410
  H     -1.54791543     -1.40675472      6.62053176
  H      2.50704895     -0.08483954      2.71613230
  O      2.36247546     -2.65173998      5.00763706
  H     -0.68365576     -0.40618977      3.13689555
  H      2.43394642     -1.46757523      2.07246392
  O     -3.44613691     -3.59780590      5.70737308
  H      0.22859218      0.81936418      3.38633578
  H     -1.65227082     -0.96211852      1.31228870
  O     -0.04532596     -1.64796507      5.71830381
  H     -2.12192334      0.57202016      4.44606149
  H     -1.66437227     -2.36632125      1.99796235
  O      1.56415920     -5.24390192      3.92343130
  H     -2.99949334     -0.04396628      5.54872653
  H     -1.82550623     -4.12322022      3.11568703
  O     -4.94774512     -3.78141173      3.47566398
  H      2.60649520     -2.06500343      4.27476648
  H     -3.29856444     -3.99583080      2.62695067
  O     -2.60377427      0.36787425      0.43832501
  H      2.24075346     -3.52870307      4.62915896
  H      1.29657910     -1.85729500     -0.12115843
  O      1.17442412     -4.92388519      1.26674025
  H     -3.25090745     -2.79537779      6.20644971
  H      0.49353321     -1.98320746      1.18809783
  O     -1.51165268     -2.72624597     -1.54882692
  H     -2.58544404     -3.95302222      5.44753363
  H     -0.13337329     -1.67561750     -1.70473423
  O     -1.40864843     -5.11438507      0.01498128
  H     -0.12660211     -0.91883704      5.08746355
  H      1.02054311     -1.16062275     -2.59754663
  O      2.81511032     -0.99096989      2.82252029
  H      0.85836334     -1.98712073      5.62510964
  H      1.03984412      1.41821039      1.43043516
  O     -1.14383187     -1.56492016      1.87017649
  H      2.08489898     -6.02581049      4.08492969
  H      1.91742423      2.41209102      2.22379780
  O     -2.38373477     -4.04228454      2.32688927
  H      1.46433871     -5.16788232      2.95760143
  H     -0.86648703      1.01556835      0.10984925
  O      1.34065280     -2.20877767      0.77510186
  H     -4.48032358     -3.66558769      4.32257946
  H      0.34105044      0.43857102     -0.64652526
  O      0.65511495     -1.10319521     -1.71905413
  H     -5.62352621     -4.43688824      3.62795855
  H     -4.49173469     -1.75994900     -0.08445614
  O      1.50856745      1.55236357      2.27346506
  H     -3.21834181      0.62380570      1.13878332
  H     -4.76046638     -1.53326560     -1.59026351
  O      0.08572644      1.12091006     -0.01375470
  H     -3.09527479     -0.19806871     -0.17049399
  H     -0.61139390     -3.24236893      4.95932335
  O     -4.06136837     -1.61740604     -0.94690970
  H      0.36719727     -5.12799866      0.78322781
  H     -0.07374802     -4.60633853      4.46543701
  O     -0.88549780     -4.11057434      4.63221094
  H      1.36235531     -3.99564818      1.06410015
  H     -5.01729107     -0.91292715      1.92730064
  O     -5.17948308     -1.76715935      1.50612391
  H     -1.43080056     -3.56078463     -1.07117795
  H     -5.16922043     -2.42619158      2.20970241
          69
 Energy    -249.37429913524875     
  O     15.66480562     12.06617647    -11.72512909
  H     16.37527558     11.52077511    -11.36596952
  H     13.68543592      6.71825068    -16.20545815
  O     17.36098035      8.58928399     -7.11995102
  H     15.11876864     12.31455657    -10.96901776
  H     11.35398988     10.62898477     -9.90284841
  O     16.34707029      5.99525203    -11.29795256
  H     16.69688881      9.23045313     -7.40425419
  H     11.80229015     11.32606765    -11.21289833
  O     12.65376895      4.94652439    -10.90720416
  H     18.10025567      8.68983435     -7.73039423
  H     15.87489595      8.86214784    -14.11390895
  O     18.73955507      5.96721279     -9.98597635
  H     15.75341675      6.02914541    -10.53505188
  H     15.07643255     10.00340045    -14.76711061
  O     16.84386364      5.92239607     -7.71716314
  H     15.81594968      5.65603609    -12.03448634
  H     19.18425722      7.67347309     -9.52400176
  O     17.34840723     10.19411146    -10.41397623
  H     12.41423935      4.04959035    -10.68407155
  H     20.29248329      8.67009918     -9.11775347
  O     14.08872372     12.52456983     -9.39048041
  H     13.30849695      5.22776430    -10.24592518
  H     15.27444736      5.82884478     -8.54473627
  O     10.73824441      7.05325714    -11.14434925
  H     19.25176023      5.20203385    -10.23575031
  H     14.13311218      6.79567771     -8.98693782
  O     15.43077129     10.25218259     -8.38615465
  H     17.92673340      5.94083860    -10.51993705
  H     11.98430443     10.03992171    -13.30009003
  O     13.87544876      8.94337113    -11.58965811
  H     16.96443368      6.82222365     -7.37676808
  H     12.96137780     11.24227211    -13.49099358
  O     13.67461809      6.97932163    -15.28882906
  H     17.57011487      5.78441988     -8.33241351
  H     12.36801994      7.70243339    -14.17229975
  O     11.78349679     11.41913238    -10.24988072
  H     18.13043410      9.75326387    -10.06150137
  H     12.62737979      8.23333479    -12.75147037
  O     15.32727633      9.07994557    -14.88215321
  H     16.68492112     10.18178789     -9.70780504
  H     10.64541553      8.28107407     -9.91454991
  O     19.35097781      8.58985298     -9.25149814
  H     13.23354351     12.14178277     -9.65835711
  H      9.88569774      8.88822785     -8.71210156
  O     14.53357743      5.93168562     -9.16036093
  H     13.89799736     13.36862663     -8.99010817
  H     13.74032448      5.16448553    -12.52400052
  O     12.25383894     10.89301670    -12.93409079
  H     11.33067841      6.30101311    -11.02320558
  H     14.17858564      5.79352165    -13.87477994
  O     11.93507945      8.12952628    -13.42367177
  H     10.94258690      7.40182539    -12.02233123
  H     15.03368616     11.90516148    -13.33230647
  O     10.68551506      8.96788646     -9.22459378
  H     15.01689750     11.09802196     -8.59749032
  H     14.79524267     12.53981605    -14.72249352
  O     14.48483594      5.26320065    -13.13014336
  H     14.73423474      9.58638456     -8.47995197
  H     13.59165132      8.60246453     -9.90736263
  O     14.60619528     11.76663166    -14.19732477
  H     14.76896968      8.84515888    -11.94124269
  H     12.48493451      8.59695097     -8.83228274
  O     13.42582066      8.43561408     -8.96387049
  H     13.52717903      9.79200140    -11.88810538
  H     16.87733430      9.11778764    -11.77607052
  O     16.50151405      8.52292971    -12.43915119
  H     14.28362550      7.73583133    -15.20431345
  H     16.52175505      7.62967443    -12.07052631
          69
 Energy    -249.37417378863961     
  O     -5.43529063      2.41960058      1.76629643
  H     -6.35544322      2.36351780      2.00943250
  H     -2.59850113      2.24924817     -1.83353938
  O     -1.83718303     -3.20168398      0.63967966
  H     -4.99731907      2.96705282      2.44274223
  H     -0.24893496     -1.92124030     -1.92534171
  O      0.12615904      3.95402103     -1.22314865
  H     -0.88995694     -3.38837310      0.66682943
  H      0.72474474     -0.75177433     -1.67402754
  O     -2.36291348      0.43584473     -1.40584422
  H     -2.02755973     -2.65750723      1.41354758
  H     -1.53257377      2.47280370      3.47678900
  O      1.00237758      0.00043068      4.90349164
  H     -0.03060658      4.32588131     -0.34078535
  H     -0.97382357      3.45199612      4.50733796
  O     -1.19442284      2.19050118      1.75178690
  H      0.62000545      4.61094363     -1.70915576
  H     -3.55960660      5.45484599      0.97401350
  O     -1.88944017      0.15576364      5.21284113
  H     -2.78313220      0.46325500     -0.53420571
  H     -3.40924100      6.86992886      1.58825822
  O     -2.13436877     -2.30531940     -1.90979724
  H     -2.37676762     -0.48595616     -1.68978396
  H     -2.59937154      1.25492299      1.34815052
  O     -2.10276692     -1.26010508      2.72957797
  H      0.07123665      0.01008001      5.14993352
  H     -4.15142016      1.16800478      1.35006366
  O      0.68544131     -1.40392145      2.46106203
  H      1.05168881     -0.59066742      4.13986453
  H     -3.28598130      3.61020251      3.92928929
  O      1.89328517      2.33280970      3.65874582
  H     -1.07318678      3.11644626      1.50882054
  H     -3.71448030      4.74853225      2.97933039
  O     -2.61832280      3.21513390     -1.84217486
  H     -0.34190672      1.75087946      1.62985506
  H      0.39093235      2.06256833     -1.39847313
  O      0.66509139     -1.71477644     -1.69084928
  H     -2.35575775      0.06318078      6.04046161
  H     -0.59111415      0.87191736     -1.34673927
  O     -1.65805901      2.78404007      4.38800203
  H     -1.85080347      1.10714691      5.02121503
  H      1.06804575      3.80114843      3.85505437
  O     -3.07407710      5.97916713      1.63984067
  H     -2.61412498     -2.94124205     -2.43327002
  H      0.99468542      5.21116544      4.48998950
  O     -3.34954793      0.66400251      1.16715133
  H     -2.11551433     -2.64657174     -0.99753582
  H     -3.80380297      3.97340063     -0.74675631
  O     -4.05135583      4.00336798      3.49188313
  H     -2.60981016     -0.64814719      2.17620662
  H     -4.81021018      3.66699204      0.39816059
  O      0.35094551      1.10020416     -1.34731938
  H     -2.10513331     -0.88564462      3.61882025
  H      1.14076735      0.13291839      1.64089185
  O      0.51061071      4.59835265      3.94379001
  H     -0.28006586     -1.37154829      2.52356967
  H      1.06959414      0.97513935      0.32548785
  O     -4.36035568      4.38085633     -0.06570358
  H      0.90580749     -2.12319133      1.85692916
  H      1.65690510     -4.01169104      0.27760734
  O      1.26378635      1.01908787      1.27044830
  H      1.86271894      1.98175331      2.75938014
  H      0.98772582     -2.74933849     -0.31942170
  O      1.02462156     -3.32403972      0.46644230
  H      1.65584487      1.58556698      4.22648524
  H     -1.39134176      5.32867278      1.42401006
  O     -0.54812237      4.86315845      1.32932404
  H     -1.70536574      3.50145555     -1.73047586
  H     -0.12036229      4.86098371      2.19636051
          69
 Energy    -249.37400507803909     
  O      0.60787401     -0.44107065     -3.17296956
  H     -0.22534153     -0.23909856     -2.72959047
  H     -2.86008446      3.50148482      1.07248730
  O     -0.39127306     -2.04647499      4.98928017
  H      0.96882342     -1.20959905     -2.71154160
  H     -2.06667121      0.37996347      4.23519679
  O     -1.47269614      0.24084744     -1.29655012
  H      0.04398319     -2.29687737      5.79965606
  H     -2.86581992     -0.25099746      5.40631415
  O      1.74510482     -2.38195227     -1.41444378
  H     -0.89761138     -1.23733270      5.17776334
  H     -0.58340443      2.93267881      0.62408754
  O      3.09879689     -0.26406601     -0.33700444
  H     -1.30240976     -0.59167412     -0.83334385
  H     -0.49405689      3.35816098      2.10977389
  O     -4.20171786      3.35012898      3.70730633
  H     -0.80756604      0.87379335     -0.99116886
  H     -3.09539458      0.95649755     -1.17863238
  O     -2.89695918     -2.97955758      3.80978766
  H      2.33223665     -3.12052191     -1.55195293
  H     -4.42010734      1.35197083     -1.86758353
  O      0.69483207      3.14622299      3.54899550
  H      2.26554740     -1.68612654     -0.97526510
  H     -2.84216192      0.39918987      2.03607344
  O      2.37218589      1.51001284     -2.48764058
  H      2.82306006      0.17506702      0.47657326
  H     -1.78710710      1.55124573      2.08491001
  O     -5.34512245      0.71262392      3.75162077
  H      3.02273960      0.39497568     -1.03884549
  H      0.10263177     -2.34887576     -0.51121797
  O     -4.45785575     -1.16822509      5.43944467
  H     -4.75871963      4.08379398      3.95735386
  H     -0.36304116     -1.82816433      0.86661600
  O     -3.82353715      3.41180255      1.01415126
  H     -4.12887864      3.38070658      2.73695699
  H      1.25426507      0.26045275      2.08535953
  O     -2.02034327      0.15902931      5.17925770
  H     -2.02751298     -2.84434408      4.20083172
  H      1.51584852      1.73681951      2.47521194
  O     -1.11233698      3.21566885      1.38337326
  H     -3.50369137     -2.45072932      4.34242481
  H     -2.47717508      3.13625071      4.53132048
  O     -3.97205722      1.34818621     -1.02539552
  H      1.21735306      3.84597758      3.93334242
  H     -1.72865759      2.00851171      5.25838212
  O     -2.00382653      0.67777563      2.42839169
  H     -0.09904689      3.05916850      4.10709053
  H      1.15017690      2.02584005     -1.18547932
  O     -0.68171966     -2.10822197     -0.00417900
  H      2.80170642      1.92677852     -3.22908863
  H      0.97105468      1.66044102      0.31249022
  O      1.75208087      1.05442461      1.83626190
  H      1.76942692      0.83548214     -2.85008717
  H     -0.67704852     -0.47006679      2.39724748
  O     -1.62973834      2.91482572      4.93777318
  H     -5.15557638      0.39613908      2.85584142
  H      0.07079173     -1.51182104      3.27587320
  O      0.51468584      2.02601298     -0.46042581
  H     -4.99458256      1.60913225      3.80084557
  H     -3.13827342     -2.84502424      1.99927488
  O      0.09688068     -1.05722865      2.42596697
  H     -4.86209816     -0.50799676      4.84592283
  H     -2.42396947     -2.60834321      0.64098787
  O     -3.28669537     -2.61054301      1.07071350
  H     -5.12799389     -1.41951665      6.06835659
  H     -4.40481653      0.29433371      0.45680437
  O     -4.40959982     -0.16346486      1.30440436
  H     -3.98122391      2.78467882      0.30054774
  H     -4.10498846     -1.07443880      1.16110828
          69
 Energy    -249.37400227750254     
  O     11.89172078      4.56073417    -12.40892006
  H     12.70342478      4.20234142    -12.79564520
  H     13.92217359     11.64001192    -10.93162765
  O     15.56639302     10.18644688    -15.76027993
  H     11.54252493      5.18758979    -13.05257313
  H     13.74407438     11.10025630    -13.12942562
  O     18.16338861      7.84417016    -13.45824372
  H     14.84840227     10.29305569    -15.11394583
  H     14.06557015      9.59628784    -13.27752431
  O     16.80589564      9.83461357     -9.51396619
  H     15.37771413     10.78279111    -16.48067690
  H     16.92643804      8.28220168    -10.45967176
  O     11.32479829      8.86524516    -12.78229044
  H     18.79153638      7.11133638    -13.48126726
  H     17.42180146      7.67448943    -11.82252962
  O     16.66392433      2.84674675    -14.60670608
  H     17.53292523      7.69239866    -14.17688270
  H     15.39059273      7.97833306    -11.95232883
  O     11.31937642      6.54061197    -14.43753649
  H     16.86793051     10.52237688    -10.20371690
  H     13.87029102      8.15157307    -11.69711933
  O     15.60807396      5.04647994    -10.97195436
  H     17.32993228     10.13619318     -8.77682975
  H     20.53195017      5.21926306    -13.37306991
  O     13.98247406     10.47600073     -9.64005492
  H     11.94665025      9.45654299    -13.22206943
  H     19.06616896      4.90078500    -12.98866900
  O     17.82199211      5.02909262    -15.72613938
  H     11.20781363      8.10959474    -13.37170359
  H     14.21174756      7.05618396    -13.73351469
  O     16.80354820     11.67757685    -11.46215597
  H     16.83760583      2.06984328    -15.13077445
  H     14.22885477      5.56400497    -14.16952534
  O     13.98241763     12.23943643    -11.69825591
  H     17.04637062      3.60362230    -15.08643053
  H     17.03640905     10.54599963    -14.53981642
  O     13.68947287     10.35812320    -13.74657078
  H     12.27998088      6.54097822    -14.58847343
  H     18.01094339      9.71149645    -13.68823247
  O     16.86888451      7.51444152    -11.04390708
  H     10.90665560      6.39297400    -15.28494044
  H     16.16422216      8.39481334    -15.80208075
  O     14.54576913      8.13690649    -12.38843793
  H     14.76027839      5.16708645    -10.52829431
  H     15.54590412      7.07094062    -15.30932281
  O     19.62866481      5.47328172    -13.54064141
  H     16.06638151      5.89932063    -10.93291193
  H     17.18585368      4.15998481    -11.65353794
  O     14.06066874      6.46248836    -14.48679567
  H     14.88525701     10.17749546     -9.48074743
  H     17.49292168      3.35880196    -12.93765716
  O     17.69613158     10.61194208    -13.84059086
  H     13.44686437      9.68345307     -9.78315041
  H     15.15534015      3.50275347    -13.79805235
  O     16.37629473      7.47534627    -15.60001782
  H     18.54642469      5.20735427    -15.11307957
  H     14.91899204      4.34815646    -12.51261892
  O     17.90627553      3.84022985    -12.20983293
  H     17.36057469      5.86829503    -15.84890853
  H     12.51794699      4.91394767     -9.31951229
  O     14.49200971      4.00903106    -13.31374200
  H     17.15635759     11.37260367    -12.31145780
  H     12.46621147      5.09113486    -10.85542052
  O     12.89464438      5.41146608    -10.04135122
  H     15.90925607     11.99413997    -11.62891482
  H     12.57516063      7.25537276    -10.23551628
  O     12.57905861      8.20095316    -10.42482485
  H     13.55818191     13.05381560    -11.44214601
  H     11.96880160      8.38593444    -11.15650458
          69
 Energy    -249.37376927003453     
  O     11.29720328     11.24458854    -11.58316664
  H     12.00727969     11.44510755    -12.20447452
  H     15.84762356      6.49199876    -16.63272702
  O     13.31430935      7.04885052    -14.40204275
  H     10.64788129     10.72685681    -12.07656542
  H     15.94233699     11.08753036    -15.54798319
  O     17.84928786     10.89475038    -12.36481436
  H     14.11767717      7.52666008    -14.13770979
  H     15.42594113     12.35959592    -16.25763423
  O     18.79885838      8.04494662    -16.08611040
  H     13.46669958      6.77250427    -15.31281362
  H     15.48815724      8.90089410    -12.86055322
  O     11.75898389      9.31408139    -14.70073231
  H     18.21912207     11.63402785    -11.88887102
  H     16.16323539      8.81904690    -14.23747893
  O     16.34380323      6.88801121     -9.97928141
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  H     11.53565852     10.34086253    -10.09975543
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  H     10.93982813      9.29802344    -14.19163732
  H     19.19715013      7.23126561    -14.32904550
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  H     12.21026256      8.47081122    -14.54770043
  H     11.35373737      7.07220817    -11.23592598
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  H     17.09131107      7.36893570    -10.36568197
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  H      9.91400529      8.65578264    -12.26483573
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  H      8.67208568      9.25014063    -12.97388244
          69
 Energy    -249.37373620773809     
  O      1.29219645      1.99053418      3.38990581
  H      1.85730074      1.20982274      3.38799914
  H     -1.58640250     -2.92846164      4.29823800
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  H      1.28850406      2.34094130      2.49072940
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  O     -0.67856158     -1.41518657      4.94279092
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  H     -1.49180617     -2.45130216     -0.09614096
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  H     -2.35550283     -2.58742422     -2.10609806
  O     -2.50728126      2.13025959      2.86176192
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  H     -1.17945285     -3.06113673     -2.97595302
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  H     -1.42655405      0.61892443      2.48427673
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  H     -1.95475282     -1.09731189     -3.70670904
  H     -1.84654082     -0.85018995      2.25016605
  O     -3.44593368     -1.81835330      2.24546220
  H     -2.28552552      0.03534908     -4.70963504
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  H      0.13747406     -0.37939087     -3.64631111
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  O     -1.96832345     -3.58246667      3.69622126
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  H      0.92045122     -2.22622851      4.66003275
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  H     -3.23021900      1.58058950      3.19082328
  H      1.38285575     -3.30025513      3.65737338
  O     -2.32570417     -1.99802589     -0.28137496
  H     -1.99534754      2.42586348      3.62677564
  H      0.42362192     -0.61836283      1.55035608
  O     -2.07952638     -2.71592010     -3.02345575
  H     -1.76388413      0.44096608     -2.16350912
  H      1.95525958     -0.74985514      1.76245132
  O     -1.08116322     -0.27533414      2.37982223
  H     -0.63747885      0.65938466     -1.12889984
  H     -0.01052807      2.37580265      4.48195849
  O      0.22847010     -3.18120264      0.08461039
  H      1.27097421      1.74076116     -0.51232441
  H     -0.54432804      3.37843872      5.53054203
  O      1.70690776     -2.59942672      4.23398842
  H      1.31150216      0.22165556     -0.27859501
  H     -3.08822976      0.37416571      5.39797411
  O      1.25357797     -0.86830291      1.11179292
  H     -3.26286704     -1.96216409      1.30750034
  H     -1.85118642      1.21541659      5.78320166
  O     -0.79427389      2.62317545      5.00483008
  H     -3.03499021     -2.54377760      2.74363304
  H      3.86001175     -0.40170190      3.48040410
  O     -2.37570922      0.44741509      6.04452627
  H      0.68059156     -5.45132655      2.33773601
  H      2.54876785     -1.19814221      3.68189548
  O      2.92891931     -0.39697905      3.27647254
  H      0.36391164     -4.13730121      1.59025202
  H     -2.03022206      2.71538509      1.21292150
  O     -1.59260688      2.89497444      0.36888238
  H     -1.21372803     -4.02342942      3.28948795
  H     -1.77612487      2.13788407     -0.20163687
          69
 Energy    -249.37367816420539     
  O     12.77495698     10.82550090    -16.24985017
  H     13.07117119     11.72162344    -16.06036294
  H     16.08161557      7.40206555    -18.34903098
  O     15.43052585      7.69777320    -13.14752504
  H     12.01560512     10.64087877    -15.67198255
  H     18.20493155      9.49317520    -12.14427078
  O     15.89664989     11.73305387    -11.00230007
  H     15.21483707      8.44278170    -13.73117092
  H     18.58197723     10.85674751    -12.76386288
  O     16.71839067     12.72454893    -15.18150833
  H     15.93635662      8.06854523    -12.41159576
  H     17.82348119      9.77598352    -16.06136941
  O     13.05541006      8.14108360    -16.94314311
  H     15.14143019     11.77689450    -11.60807157
  H     16.62254210      9.55533738    -17.00778410
  O     12.16970712      9.98919346     -9.22486489
  H     16.63947901     12.12792382    -11.47508918
  H     15.69697796     10.04484142    -15.21601050
  O     12.79999528      7.43133923    -12.41491320
  H     16.87902168     11.96571699    -15.75749368
  H     14.14376821     10.04375049    -15.26566505
  O     13.90603686     11.67258485    -12.87985506
  H     15.78704991     12.95384908    -15.27915256
  H     10.88056848      9.02056751    -14.66727343
  O     16.96151488      6.84852945    -15.35614493
  H     13.98360842      8.02360510    -17.17623408
  H     11.01949503     10.12597458    -13.60781244
  O     12.84868658      7.22539365     -9.65469778
  H     12.89947061      9.09562662    -16.93796482
  H     14.57920264      7.80785679     -9.08006601
  O     19.08697234      8.75154771    -15.17901303
  H     12.99591093     10.40182450     -8.94491481
  H     15.19574449      9.13655868     -8.60141386
  O     15.83061199      7.90861104    -17.58071287
  H     12.33641685      9.03767471     -9.22664160
  H     12.10447610      7.45868738    -15.64140664
  O     18.79396133      9.91626144    -12.78364254
  H     13.74202713      7.43469912    -12.64233791
  H     10.93440240      6.52633481    -15.25922051
  O     17.05403365     10.21554784    -16.44993026
  H     12.31860370      7.24940876    -13.23165852
  H     17.48618052     12.69579247    -13.61568063
  O     14.90385176      9.88385564    -14.69025430
  H     13.13796156     11.20838630    -12.51830710
  H     18.52385913     13.37361868    -12.69246258
  O     10.81505009      9.97487039    -14.54031174
  H     14.35561392     11.04229333    -13.46518100
  H     16.44115408      9.94006555    -11.09538779
  O     15.41639567      8.23017403     -8.85114203
  H     16.44546046      6.96310809    -14.54710494
  H     16.41547545      8.62091603    -10.29267783
  O     11.52161686      7.19117533    -14.90848536
  H     17.75893551      7.38092130    -15.24143413
  H     15.19372762     11.35039851     -9.37991569
  O     17.91501591     12.64114590    -12.74308595
  H     12.79503909      7.21813220    -10.62423954
  H     15.01059097     11.63280232     -7.87368919
  O     16.75437563      9.02615194    -11.10369361
  H     12.41814072      6.42917324     -9.35264373
  H     12.21823588      9.18063202    -12.12898643
  O     14.76833534     11.02645096     -8.56962160
  H     19.02349061      9.14922540    -14.29143144
  H     11.85459674     10.15923459    -10.98640367
  O     11.88951044     10.07223114    -11.94939968
  H     20.01292461      8.59974064    -15.34646238
  H     13.44665438     14.09963895    -15.05136422
  O     13.87223836     13.24964838    -15.13500967
  H     16.20256462      7.44798599    -16.80643992
  H     13.80725875     12.81756828    -14.26613411
          69
 Energy    -249.37345185976957     
  O     15.04678528     10.41095988    -12.16953558
  H     14.19314537      9.96587590    -12.25824592
  H     18.39750426      5.10892774    -12.46022140
  O     19.13050271      6.20189048    -13.65359764
  H     15.46315358     10.38287387    -13.04014499
  H     14.25247692      5.46797689    -13.86366923
  O     12.35424692      3.97658565    -12.22958385
  H     18.86749705      7.09269903    -13.37544226
  H     14.83464203      4.11898725    -14.32424703
  O     13.57219335      1.62909665    -11.36260487
  H     18.68929227      6.03434047    -14.49216449
  H     14.15959392      7.59786616    -12.85303279
  O     15.82138204      7.58380075    -15.60013427
  H     12.88996184      4.12582798    -13.02204115
  H     15.38396191      6.77891569    -12.34346321
  O     18.19801341      8.67489482    -12.79343537
  H     11.58137579      4.55314490    -12.29924429
  H     16.01003342      9.60834008    -10.96283998
  O     10.47504216      5.98746541    -12.34298894
  H     13.88952336      1.91784514    -10.49933282
  H     16.91888220      9.68831432     -9.71301803
  O     14.82559669      2.82272991     -9.03134071
  H     13.01252718      2.34796529    -11.68841701
  H     13.97765649      7.09217165    -16.10231488
  O     16.46152804     10.07101535    -14.63599406
  H     16.41544018      6.86167381    -15.83846213
  H     13.31181358      5.80608011    -15.60879311
  O     15.73920571      1.02854228    -12.88867207
  H     15.52055890      7.38922368    -14.69674586
  H     16.29270058      2.53422867    -13.83090364
  O     16.97588069      2.29134843    -10.59074630
  H     17.68890334      9.20855815    -13.41430756
  H     16.94930059      3.84608357    -13.34370673
  O     17.78297058      4.58615430    -11.92414722
  H     17.76941968      8.78790834    -11.93886274
  H     17.15454808      4.59536925    -15.36234753
  O     14.01960319      4.63489665    -14.30462267
  H     10.78776053      6.47208198    -11.56994738
  H     17.91996805      4.90250532    -16.66431056
  O     14.84437633      6.97173032    -13.11931452
  H     10.64001170      6.56131630    -13.10133578
  H     10.53948913      8.21152306    -15.01794847
  O     16.58098468      9.08661093    -10.37097116
  H     15.64346212      2.65901521     -9.53554078
  H     11.85620861      7.40408712    -15.06015070
  O     13.11911734      6.66032906    -16.01999855
  H     14.94545222      2.41526230     -8.17783063
  H     15.23564352      6.04471895    -10.37644878
  O     16.52911490      3.42729052    -14.11089819
  H     16.74201855     10.68955863    -15.30593704
  H     16.20831630      7.29307303    -10.43002923
  O     17.48628480      5.31658635    -15.92154507
  H     16.24361804      9.24230410    -15.09421185
  H     12.20458418      8.52549379    -13.09511583
  O     11.20093958      7.80588179    -14.46330294
  H     15.72755323      0.10260412    -13.11568737
  H     12.47291008      8.32215599    -11.57202908
  O     16.07696943      6.37854140    -10.71429681
  H     14.91734891      1.20537830    -12.39644260
  H     12.51887192      6.53376499    -10.01512975
  O     12.81476287      8.73575874    -12.37550037
  H     17.40398059      3.06671627    -10.98133323
  H     11.55202185      7.50230563     -9.29751814
  O     11.90039822      7.26985182    -10.15478662
  H     16.69009503      1.74948578    -11.33503324
  H     14.02718207      4.39551074     -9.56700453
  O     13.64582521      5.13588290    -10.05685439
  H     17.23291514      5.21505586    -11.43667321
  H     13.23134590      4.74866140    -10.84333200
          69
 Energy    -249.37317440954246     
  O     17.67584837      7.64228287    -16.22054878
  H     17.81515832      6.79287682    -16.63223337
  H     18.21330269     10.65366527    -17.49225002
  O     15.21161926     10.29425681    -11.16687512
  H     16.82526304      7.58847264    -15.75128232
  H     14.61867271     10.77468082    -18.88780975
  O     18.07599480     15.61664426    -14.31308724
  H     14.51744192     10.52744472    -11.80231957
  H     15.84256364     10.64743399    -17.94441003
  O     15.35472302      7.70805492    -14.78732895
  H     14.79236430      9.75262149    -10.48813255
  H     18.00758494     13.33159770    -12.20907387
  O     13.89304686      8.37174178     -9.58200453
  H     18.37978404     14.91802118    -13.70623030
  H     19.10715651     12.81885291    -13.17167247
  O     15.46323347      6.39794097    -10.76325646
  H     18.51791405     16.41899226    -14.04838730
  H     18.35310697      8.51150108    -13.25254064
  O     16.55153891     11.74015620    -14.40805527
  H     14.69541094      7.19640170    -14.29526846
  H     18.70530397      8.27411265    -14.72989490
  O     13.24285478     11.06806832    -12.98105386
  H     14.95655224      8.55932389    -15.01839522
  H     13.02057428      7.19424979    -12.76617277
  O     16.68495486      8.25406239    -12.37762946
  H     14.40523871      7.61182855     -9.90263351
  H     14.13546619      6.24810865    -12.29240565
  O     19.29488027     11.35591876    -14.33297986
  H     13.65731130      8.18413196     -8.67686431
  H     14.27516817     14.34146365    -13.36072143
  O     14.46696432     10.25146057    -15.33561125
  H     16.02602807      5.66453062    -10.52901901
  H     13.19662874     14.47960690    -12.26259063
  O     17.44817745     10.09099568    -17.66054385
  H     15.99614578      6.99452554    -11.31721615
  H     18.36950625     14.74734653    -15.98463316
  O     14.92747083     10.98038539    -18.01040201
  H     17.49614118     11.54549196    -14.46188227
  H     17.41669799     13.96565069    -16.89806930
  O     18.81308936     13.59436612    -12.67435405
  H     16.41034080     12.14968442    -13.54628634
  H     15.43836629     13.25229914    -11.93972139
  O     19.04022494      8.66523061    -13.91370291
  H     13.53088969     10.79875629    -13.86514972
  H     16.01540559     11.92068232    -11.39948116
  O     13.62480982      6.49883470    -13.06823809
  H     13.31947662     12.02881000    -12.93268660
  H     16.05223761     12.79126907    -15.82501548
  O     13.79657144     13.85630426    -12.66399071
  H     16.28050089      9.04249492    -11.99026059
  H     15.35005234     12.63444999    -17.19165519
  O     18.34666937     14.20523109    -16.78225291
  H     16.23446384      8.08849375    -13.21853688
  H     12.61235686      8.59233709    -11.07933200
  O     16.26217951     12.77289665    -11.78541983
  H     19.32106264     10.40534038    -14.14641889
  H     12.38254323      9.49087638    -12.30932157
  O     15.72258727     13.28837641    -16.59074219
  H     19.55003712     11.48466105    -15.25453669
  H     15.26613967     14.60098300    -15.36509854
  O     12.19527670      8.61515409    -11.94819207
  H     14.42957045     10.45488879    -16.27746922
  H     16.18307486     15.37613847    -14.40591459
  O     15.26518987     15.11164430    -14.54393777
  H     15.24861747     10.71332742    -14.98901330
  H     20.41204340     11.95414000    -17.61363361
  O     19.62693684     11.84896999    -17.08308033
  H     17.59431849      9.26249500    -17.18820747
  H     19.21601573     12.73002736    -17.01114512
          69
 Energy    -249.37251605107610     
  O     17.59159346      8.48346871    -12.29812489
  H     16.78420079      9.02164142    -12.34380856
  H     14.42660059      7.78716673    -14.54231003
  O     12.23464664     12.02624641    -11.45818762
  H     18.09510378      8.80527852    -11.53756164
  H     12.45828074     10.53005950    -16.30155227
  O     18.36678435     10.46058531    -14.15259101
  H     12.72948722     12.33616722    -12.23874360
  H     13.39751080      9.83167585    -15.29085165
  O     11.38582125      9.75856782    -12.97363788
  H     11.69958775     12.75863007    -11.16409315
  H     16.50517522      9.46960300     -5.93398307
  O     15.86314165      6.49109996    -11.39213827
  H     17.98814995     10.20546805    -15.00549698
  H     15.99807701      8.64691134     -7.14206502
  O     18.91549121      9.75159746    -10.21590993
  H     18.19981607      9.70479704    -13.57098315
  H     13.41148972     11.01849167    -10.45504951
  O     19.86060042     11.62372185    -12.12572316
  H     11.56874863     10.51024041    -12.39761842
  H     13.85784758      9.56133737    -10.05221111
  O     16.67852331     11.01223668     -9.12923368
  H     11.73644555     10.00058781    -13.83935731
  H     18.89062191      8.38248471     -8.95491566
  O     11.68420649      7.22805643    -12.07076676
  H     16.26326538      6.08308366    -10.61395650
  H     18.05391936      8.29111487     -7.67069826
  O     16.91545640      9.48092672    -16.28267596
  H     16.53106816      7.08404232    -11.76342861
  H     17.06681665     11.89980886    -13.85019839
  O     13.99594240      6.35017892    -13.55467756
  H     19.39212957     10.37980294    -10.77053080
  H     16.71313518     12.75434517    -12.60424116
  O     14.66412970      8.68032507    -14.82859850
  H     18.14051020     10.21517654     -9.86200063
  H     17.66436393      6.36959139     -8.74702085
  O     12.71637994     10.51896703    -15.38348058
  H     20.70284528     11.97010913    -12.40995445
  H     17.42829039      4.84209474     -8.67658506
  O     16.64084471      9.32531782     -6.86658273
  H     19.42297237     11.27093406    -12.91811770
  H     14.88270239     10.14718634    -11.71560267
  O     14.13797235     10.48719798    -10.10462610
  H     15.77981162     10.88533747     -9.46616292
  H     15.64827825     10.89372612    -12.84195447
  O     18.59758053      7.76569378     -8.27103494
  H     16.70268542     10.56146729     -8.27562289
  H     14.44593500      7.37190371    -10.61871997
  O     16.36659171     12.42932303    -13.45082265
  H     11.54356693      8.12946801    -12.41203568
  H     12.91291534      7.54938920    -10.73049479
  O     17.03462897      5.65988067     -8.96846150
  H     10.82820775      6.80974177    -12.03675122
  H     18.40883994     12.63343674    -11.28832645
  O     15.34871105     10.02232706    -12.54959070
  H     17.07759456      8.89375037    -17.01728361
  H     17.24736605     12.43182880    -10.28965657
  O     13.67761585      7.77297901    -10.18622204
  H     16.12485047      9.13770643    -15.83746320
  H     13.32245912     12.04201685    -14.37673841
  O     17.54136161     12.97164343    -11.03438575
  H     13.16991960      6.55160137    -13.09779661
  H     14.53561683     12.75418911    -13.72709575
  O     13.57097063     12.70090437    -13.71664248
  H     14.65919982      6.23487094    -12.86156215
  H     15.63733423      6.64157141     -8.07686873
  O     15.03142654      7.32191463     -7.75729722
  H     14.87577718      9.16562069    -14.01577499
  H     14.41451531      7.47878941     -8.48362931
          69
 Energy    -249.37160203368836     
  O     13.67805488      9.98682851    -15.02805436
  H     13.24276830      9.27350650    -15.51008462
  H     11.70409764      3.69784678    -14.03269852
  O     15.99163088      8.77833460    -11.11504941
  H     14.54021978      9.64224338    -14.75390483
  H     14.58599231      7.48258020    -13.70743578
  O     14.55101848      4.27914842    -13.23417514
  H     15.70538672      9.70034837    -11.04840790
  H     14.08443513      6.01714250    -13.48584137
  O     11.58506337      2.36367767    -10.71931638
  H     15.34293105      8.26128037    -10.61811546
  H     11.83370999     11.48676402    -12.93524814
  O     15.91578030      8.68985017    -13.91620075
  H     13.63764272      3.97614784    -13.14953043
  H     12.91848068     10.60126307    -13.59723383
  O     14.87055390     11.30000429    -11.20738362
  H     14.90137649      4.40644701    -12.34114721
  H     17.72581046      6.49226249    -13.47931842
  O     11.46259155      4.12300250    -15.75581075
  H     11.69015354      2.73995608    -11.60960069
  H     18.69857959      6.64674125    -14.67122063
  O     10.45777132      4.84428013     -9.84889868
  H     11.24979848      1.47811777    -10.83417042
  H     15.40511609      4.57207852    -14.81531391
  O     13.78338864      3.32061288     -9.11753620
  H     16.61890156      8.09792390    -14.21258042
  H     16.49078525      5.53188943    -15.33010570
  O     12.41350189      5.68879193     -8.16299722
  H     16.00439159      8.78750479    -12.95659082
  H     14.91614909      5.72847135    -10.49060191
  O     13.96085700      7.21867810     -9.93879453
  H     14.04498478     11.20862205    -11.70479899
  H     14.98081824      4.23189454    -10.12747745
  O     11.82769849      3.73489468    -13.07286290
  H     15.16563939     12.19684571    -11.34823493
  H     16.91581004      5.77726095    -11.35223657
  O     13.80003633      6.93304812    -13.58620506
  H     12.20225556      4.44215764    -16.28697338
  H     17.16181462      7.29266332    -11.44301086
  O     12.53242806     10.86709643    -12.74267819
  H     10.86357002      4.87336922    -15.65974760
  H     13.86015224      5.05682931    -18.12768364
  O     17.77334314      6.64891334    -14.44061325
  H     10.29330808      5.29641513    -10.68589864
  H     14.42611196      5.21098580    -16.69819057
  O     15.76273970      4.97221118    -15.62160442
  H     10.71256720      3.94107489    -10.07687980
  H     12.19691687      9.13244865    -12.05297783
  O     15.38476691      4.90647308    -10.69147557
  H     13.36066161      4.05671884     -8.65779453
  H     12.75965371      7.74648318    -12.46905899
  O     17.48889881      6.44038664    -11.75881654
  H     13.08385040      2.89885211     -9.63143602
  H     12.91676153      7.31052149    -15.06975167
  O     13.62965504      5.33569816    -17.24566657
  H     11.66332793      5.44399398     -8.73409966
  H     12.86466638      6.89380905    -16.54709391
  O     12.17292755      8.19450664    -11.83538257
  H     12.05909188      5.83369620     -7.28973912
  H      9.30659264      6.96285331    -15.68013410
  O     12.49611405      7.52738063    -15.91789633
  H     13.28220062      7.59111699    -10.51879654
  H     10.83810905      7.01610908    -15.47253488
  O     10.02131323      6.57848237    -15.17847558
  H     13.49007028      6.76882529     -9.22556603
  H     10.16092990      6.26474657    -13.30421938
  O     10.45203339      6.09947240    -12.39926572
  H     11.40870968      4.55517189    -12.77750623
  H     10.96572413      6.87581699    -12.13286340
          69
 Energy    -249.37125470180024     
  O     16.02070072     11.54195313    -16.30641808
  H     15.73284526     10.98588690    -17.02646035
  H     15.53960742     13.37684213    -15.97066422
  O     17.89924285     15.45837633    -16.90017482
  H     16.91661861     11.84772915    -16.52864212
  H     17.77604211     12.23649238     -9.77689836
  O     21.20726051     10.04661593    -14.39215541
  H     17.95423017     16.06726523    -17.63262176
  H     16.73161492     12.63758028     -8.70843590
  O     18.73413843     14.98716882    -10.41752595
  H     18.49839881     15.79408494    -16.21246307
  H     20.81592982     17.69426090    -12.34844658
  O     15.00873500     14.98799795    -13.20467962
  H     21.95740586      9.47627711    -14.23779264
  H     21.09495359     18.93792809    -13.22431461
  O     19.12896902     11.27203523    -10.19517449
  H     21.33616366     10.83001816    -13.82770728
  H     21.80116594     14.00512129    -10.40419748
  O     15.48211771     12.47126694    -11.90752548
  H     18.12343401     14.36804024     -9.99892266
  H     20.25542771     13.95015158    -10.44834427
  O     21.21954747     12.07917662    -16.47655035
  H     18.40966485     15.10544762    -11.32248806
  H     16.16737584     11.26607270    -12.99701663
  O     21.73209544     14.32746961    -14.94304489
  H     14.25061822     15.55977306    -13.12265074
  H     16.33219768     10.88928411    -14.50317859
  O     20.65302323     17.03162071    -10.74208720
  H     15.08856395     14.75550921    -14.14763174
  H     22.80913246     15.39223635    -13.86706345
  O     21.28411511     12.38732493    -13.01637642
  H     19.14743932     10.67077290    -10.95356779
  H     22.52594863     16.78832396    -13.29417152
  O     15.46378974     14.32001564    -15.78141372
  H     19.93071434     11.80512249    -10.22640369
  H     18.91638768     15.86448474    -14.14993674
  O     17.06787105     12.87493654     -9.56859409
  H     15.24362586     13.32911486    -12.27682824
  H     20.05014308     16.88522767    -14.39975020
  O     21.00724674     17.98911255    -13.25753337
  H     15.97220451     12.64484102    -11.09405878
  H     23.13137341     15.58240507    -11.51759396
  O     21.05223146     13.40129862    -10.48384426
  H     20.29243254     12.20726737    -16.71603594
  H     23.86395827     15.54979337    -10.15484520
  O     16.68713393     10.73335345    -13.62153084
  H     21.23652727     11.29622772    -15.91306702
  H     18.16198546      9.83606743    -12.88713807
  O     23.11521101     16.02920622    -13.20737898
  H     21.63304264     13.61229832    -15.58904413
  H     19.66730925      9.65793890    -13.19163756
  O     19.54366126     16.17905417    -14.81992881
  H     20.95259579     14.89448695    -14.99638125
  H     18.02759504     11.97885302    -13.66120533
  O     23.01605413     15.40688542    -10.56627789
  H     19.92941537     16.43492614    -10.51100906
  H     19.49902865     12.49542716    -13.49479209
  O     19.02200917      9.67031441    -12.47724802
  H     21.46585171     16.55264854    -10.53775117
  H     18.33485270     13.64291218    -16.86447634
  O     18.63090889     12.70767727    -13.85823533
  H     21.52417821     13.11158731    -13.61108872
  H     18.59094746     12.72855135    -15.64027254
  O     18.48041470     12.72445794    -16.60580787
  H     21.26363668     12.72751794    -12.11287639
  H     18.02715557     14.24001184    -13.27611483
  O     17.78718109     15.14013989    -13.00098197
  H     16.23242619     14.74438870    -16.18047219
  H     16.82472130     15.19984594    -13.02306696
          69
 Energy    -249.37112953262806     
  O     -0.47082994      3.97503991      2.77193536
  H     -0.00357774      3.17654107      3.04548379
  H     -0.29067804      8.38449235      0.49269563
  O     -2.66770243      6.11663447      0.15319466
  H     -1.30629377      3.71977635      2.35665132
  H      1.66471021      1.51501306      0.21702067
  O      4.94751109      6.07757912      0.22796270
  H     -2.45440360      6.82366896      0.77439877
  H      0.15721007      1.23314181      0.26474017
  O      2.53621221      7.05508464      1.16174447
  H     -1.92424368      6.07247766     -0.46489524
  H     -0.70307895      4.58636940     -2.43886922
  O     -0.36892805      5.99986180     -1.40248542
  H      4.97384455      5.14591911      0.49068949
  H     -1.76244039      3.69032755     -3.14964761
  O      2.66747876      2.85454178     -0.63257256
  H      5.31258496      6.11156254     -0.65392969
  H     -3.79224073      2.01441082     -2.45160519
  O      1.08771855      4.75356322      0.55938870
  H      2.59455655      6.98723509      2.12307701
  H     -2.92570842      1.36843347     -1.35958925
  O     -1.64276113      8.09503822      1.86296323
  H      3.40582653      6.81851293      0.80850591
  H      2.55227482      3.13496791      3.35302810
  O     -1.29738432      1.98777854     -0.59990650
  H      0.12781270      5.47309636     -0.75695978
  H      3.76270407      3.68090368      2.56373258
  O     -0.20547403      6.60383867      3.60138749
  H     -0.12370010      6.91653972     -1.21157374
  H     -4.09136386      5.48679308     -0.88097276
  O     -2.72064841      3.57004066      1.24202054
  H      2.08964692      3.52743501     -0.23802881
  H     -5.01784901      4.25565317     -0.79885436
  O      0.38963118      8.34048624     -0.19025363
  H      2.41845576      2.76743723     -1.56258306
  H     -4.04364269      3.85005282     -4.30700967
  O      0.99031017      1.03388805      0.71322682
  H      1.58607444      5.54818372      0.79777803
  H     -3.99920348      4.16353943     -2.79317915
  O     -0.85886550      3.70513647     -2.81138001
  H      0.57121786      4.48647620      1.32928944
  H      1.13262544      1.45223555      2.37421965
  O     -3.82169315      1.38160899     -1.72330124
  H     -2.04611662      8.81903828      2.33428741
  H      1.14225791      1.03570868      3.86580878
  O      3.19266434      3.85574650      3.32147704
  H     -1.12305624      7.59178967      2.51544916
  H      1.68935335      2.05478717     -3.93588369
  O     -4.70153153      4.94324102     -1.39747397
  H     -1.06823083      2.55935514     -1.34475437
  H      0.77895062      3.01850067     -3.15999839
  O     -3.58537017      3.63478345     -3.49912939
  H     -1.74794592      2.54374954      0.05090318
  H      3.20713138      6.73779918      4.60252068
  O      1.20048629      1.79004751      3.28614631
  H      0.73408670      6.65584244      3.80929099
  H      2.82572140      5.51068163      3.74251060
  O      1.67736550      2.65345299     -3.19325180
  H     -0.37224399      5.67001509      3.40867789
  H      5.41438076      2.64803142      0.95634963
  O      2.62315291      6.44927690      3.90642136
  H     -2.71579418      4.47774824      0.90189259
  H      4.07053979      3.11549392      0.34377177
  O      4.77989048      3.35997440      0.96514889
  H     -3.60344335      3.21777839      1.07822011
  H     -5.96672709      2.17027742      0.55530254
  O     -5.19043683      2.64029299      0.26441756
  H      1.18798272      8.03001383      0.25892832
  H     -4.78060095      2.10345476     -0.43774387
          69
 Energy    -249.37095889137885     
  O      1.22287275      1.11053655      4.94304745
  H      0.50340232      0.64328106      5.40349124
  H     -2.18850515      3.96891325     -1.00873887
  O      1.71194314     -2.45369811     -2.18675686
  H      1.85537627      1.36156507      5.61230939
  H     -2.35025551      1.14951773      3.79415774
  O     -0.91141770     -0.08565352      6.11432274
  H      0.98090315     -1.83324517     -2.05837398
  H     -2.71542762      2.43021717      4.57559385
  O     -0.25422726     -0.72495035     -1.15076210
  H      1.49318644     -3.21472046     -1.63488701
  H      0.61012806      1.84564674      0.65014809
  O      1.02933915     -4.31053244     -0.09848785
  H     -1.32207361     -0.94666620      5.98750649
  H      0.04584995      2.83128528      1.72965825
  O      2.84767229     -2.81438718      1.28265355
  H     -1.54491003      0.54717574      5.74184011
  H     -1.77284206      0.21435070     -1.66441688
  O     -4.02444315      3.04013605      1.78424479
  H      0.40548002     -0.27663451     -0.60584765
  H     -2.59223789      1.50314630     -1.40147589
  O      0.15282000      3.33618636      3.39728187
  H     -0.63654983     -1.42125189     -0.59815299
  H     -1.19384404      1.13174937      1.73569792
  O      3.68643962     -1.11597813     -0.87729019
  H      1.23594537     -5.23742789     -0.01193952
  H     -2.34498259      0.09519067      1.55308151
  O     -5.31867685      0.40139882      1.87299806
  H      1.67176831     -3.82817342      0.45251058
  H     -0.60069610     -3.42406567      0.21701406
  O     -4.44925520     -0.61360820      4.43309338
  H      2.55360840     -2.19787512      1.96521945
  H     -1.12594431     -2.59531775      1.40812193
  O     -2.34285275      3.16397622     -0.52028876
  H      3.28834436     -2.27462532      0.61453643
  H      0.83817701     -1.32582490      3.02191408
  O     -2.64675396      1.47312208      4.65941714
  H     -4.46886806      2.18676295      1.83787136
  H      1.64523769     -0.14986006      3.61266609
  O     -0.14097693      2.40922595      0.87602050
  H     -3.54920350      3.05926063      0.94388472
  H     -2.97607665      4.95856470      4.08669397
  O     -2.66749336      0.58495920     -1.68786628
  H      0.43458957      2.62416010      3.98396115
  H     -3.13412886      3.78377630      3.09195768
  O     -1.74536269      0.49030414      2.19911638
  H     -0.72740159      3.61855191      3.67407157
  H      2.49851964      0.06519491     -0.02432220
  O     -1.28289478     -2.79045662      0.47204962
  H      4.48296180     -1.00656154     -1.38892870
  H      1.72452588      0.02798651      1.31888657
  O      1.66466070     -0.82929909      2.92804455
  H      3.05230068     -1.59651522     -1.43949973
  H     -3.27107551     -1.81221357      4.96039962
  O     -2.60601572      4.11520446      3.84134661
  H     -4.73207795     -0.14570759      1.32326338
  H     -2.89120601     -3.08080995      5.75780039
  O      1.74932002      0.44883335      0.44709070
  H     -6.19089221      0.33024823      1.49153915
  H     -1.37943040     -2.22059462      3.82022815
  O     -2.52205921     -2.36295115      5.25084362
  H     -3.94874518      0.18019660      4.67242861
  H     -1.14214194     -1.05006757      2.82851768
  O     -0.84907442     -1.94567360      3.06290847
  H     -4.86562621     -0.38885022      3.59412324
  H     -2.87965661     -1.71468896      0.39299203
  O     -3.43323242     -0.92617178      0.42237874
  H     -1.51003641      2.94877566     -0.06431304
  H     -3.26834054     -0.42314209     -0.39235011
          69
 Energy    -249.37069739185773     
  O     12.17012720     11.46065828    -14.60861774
  H     12.79223681     12.17144441    -14.41582581
  H     15.15646458      6.22435693    -15.29761924
  O     15.43650781      6.67937357    -13.56392803
  H     12.54143479     10.96504061    -15.35092673
  H     16.64104985     12.08256035    -15.46296040
  O     17.63386035     10.31724950    -11.96807706
  H     16.32203777      6.88936032    -13.23579656
  H     15.78892355     12.18212724    -16.73049497
  O     17.46341058     10.52115818    -14.79310522
  H     14.82892411      6.69614932    -12.81245149
  H     14.42659204      9.46184351    -14.97251252
  O     12.32494384      7.25863375    -16.28968636
  H     17.78980946     10.14569024    -11.03062633
  H     15.12246085      8.39746185    -14.05693475
  O     15.05785928      8.99675746     -8.78026873
  H     16.74785594     10.70541539    -12.01377885
  H     10.17546008     10.30559007    -12.47620548
  O     13.64309240      6.99676283    -11.48692490
  H     16.62267876     10.04806629    -14.66690616
  H     11.44472263     10.55828424    -13.32461855
  O     15.01803212     11.24479432    -12.30852742
  H     17.81465194     10.62839746    -13.90060210
  H     17.86309625      6.93152489    -11.02257280
  O     16.96860778      7.32042605    -17.64096359
  H     12.13270072      7.29589591    -15.33484227
  H     17.82602361      7.73403525     -9.71367119
  O     15.17594242      6.17067945     -9.29230144
  H     11.57063287      6.84917660    -16.70502838
  H     12.38096279      7.11906335    -12.92150095
  O     18.65599402      7.97249100    -15.39492762
  H     15.01264702      8.03311782     -8.81487389
  H     11.49122109      8.30858972    -13.31543588
  O     14.96473450      6.20098229    -16.24632152
  H     14.35398129      9.31511909     -9.35974306
  H     18.30063634      7.58664950    -13.65372525
  O     16.00174287     12.64827712    -15.91888802
  H     14.07831803      6.59003527    -10.72714124
  H     17.81907682      8.51477256    -12.50316413
  O     15.04586783      9.34104105    -14.24336731
  H     13.53887911      7.93412350    -11.26977089
  H     16.72665336      9.46441549     -9.05033224
  O     11.07230357     10.01062509    -12.60997685
  H     14.94055761     10.54992154    -12.98450237
  H     18.05659430      9.99006912     -8.46062444
  O     17.68010047      6.85180318    -10.07670476
  H     14.75451850     12.06685653    -12.73696738
  H     16.70184026     10.23014298    -16.69883190
  O     11.83390051      7.46531870    -13.63669776
  H     16.24437237      6.87222595    -17.16663553
  H     16.38466778      9.07691836    -17.64377098
  O     17.92233564      7.58916213    -12.76259884
  H     17.23992988      6.73811876    -18.34525769
  H     13.88864841     10.31221948    -11.25901553
  O     17.67168750      9.60300534     -9.24245855
  H     15.19828497      5.41369610     -8.71352440
  H     12.42434257      9.83408305    -11.31549314
  O     16.10961269      9.97639546    -17.41406417
  H     16.09179319      6.32827669     -9.58544571
  H     14.83583291     13.18409425    -14.71351446
  O     13.25571612      9.71011498    -10.84118732
  H     18.16269032      7.66728491    -16.16560254
  H     14.14640757     14.31795599    -13.91989341
  O     14.21032698     13.36917209    -13.99169289
  H     18.43418106      8.90669073    -15.30052032
  H     13.06346751      8.93938388    -16.58056125
  O     13.45698796      9.81747082    -16.48573231
  H     14.04362861      6.47023209    -16.33563581
  H     14.30192110      9.83396616    -16.95603251
          69
 Energy    -249.36983125917186     
  O     18.62783334      9.12736538    -14.23008637
  H     18.20059116      9.51353865    -13.45601683
  H     11.84043954      4.22628521    -11.48043762
  O     15.00526143      4.04147723    -16.09483976
  H     18.64573781      8.17528784    -14.07547188
  H     13.46920193      5.25040864    -13.68083407
  O     12.73790672      9.04407599    -13.38761828
  H     14.42752766      4.78692908    -16.34541648
  H     14.45792464      4.24843655    -14.33853137
  O     11.41509149      6.84386957     -9.74548166
  H     14.84661360      3.34542027    -16.72666723
  H     12.86948334      8.83895909    -11.56229811
  O     13.46818959      6.22606161    -16.52768258
  H     12.72963982      9.99868487    -13.52413877
  H     13.54641718      9.73818233    -10.52539363
  O     17.34543999     10.28345501    -16.33662261
  H     13.66733174      8.77369314    -13.47544907
  H     15.45421838      8.18427772    -14.56379754
  O     17.22895094      5.85722407    -16.18479191
  H     11.91223358      7.64709758     -9.95262865
  H     15.59982371      7.42517153    -13.20208363
  O     14.42212510     11.28075813    -10.97214987
  H     12.04230285      6.25125473     -9.31462188
  H     19.25049661      5.85112338    -13.25648627
  O     13.48676099      4.99243938     -8.94736833
  H     14.07915079      6.97544159    -16.54008583
  H     17.74097722      6.14371614    -13.10627276
  O     15.62283083      8.05691317    -16.34007565
  H     12.87589630      6.35540098    -15.77639530
  H     12.82531702     12.60882087    -13.87490273
  O     10.47011307      5.50897568    -11.91589501
  H     17.87917068      9.85998694    -15.63980667
  H     14.15485040     11.82278787    -13.94574588
  O     12.67042665      3.79694619    -11.23809240
  H     17.95789603     10.62172605    -16.98442562
  H     16.30669426     11.36989479    -13.59772955
  O     14.14284675      4.58083109    -13.48899921
  H     16.60578854      5.12417251    -16.10754970
  H     16.29293469     11.33819433    -15.13429214
  O     13.13121186      8.87124586    -10.63224364
  H     17.73104518      5.89600736    -15.36186275
  H     11.45512162      6.10945503    -13.38869866
  O     15.32588044      8.25624300    -13.60747669
  H     13.95717424     11.58600111    -11.76151781
  H     12.22247979      7.37823464    -13.83815168
  O     18.51760128      6.30224361    -13.66876362
  H     15.29255797     11.00545666    -11.28163962
  H     17.06438715      9.70855761    -11.38884037
  O     13.25423498     11.81185674    -13.57499583
  H     13.23495669      4.49491814     -9.74656449
  H     16.25874647      9.49098764    -12.70879294
  O     15.85314318     11.72996027    -14.37065939
  H     13.49457544      4.36957681     -8.22589167
  H     15.49970925      5.38028324    -12.66896575
  O     12.10881321      6.43433082    -14.02041722
  H     16.24207311      7.30926894    -16.38283483
  H     15.85960774      6.26949296    -11.43454267
  O     16.81298438     10.12601959    -12.22559228
  H     16.13201584      8.85778433    -16.50963690
  H     16.53415681      8.14555100     -9.78830174
  O     16.18167426      5.95357095    -12.28912293
  H      9.52803388      5.37876618    -11.84759382
  H     17.42722628      9.08715279     -8.96466990
  O     17.24520948      8.80127695     -9.85705699
  H     10.73763064      6.03599700    -11.14151858
  H     14.64031745      6.31064407     -9.52130806
  O     15.10059347      7.03125963     -9.96932005
  H     13.24684676      3.90020508    -12.00692239
  H     14.42557506      7.68065084    -10.21756272
          69
 Energy    -249.36949657742497     
  O      0.92039068      0.07188117      5.07904322
  H     -0.04360848     -0.04920113      5.10722574
  H     -3.09450161      2.87276444      0.20031808
  O      1.61293582     -0.55269284     -2.78385316
  H      1.25534742     -0.22500197      5.92217090
  H     -1.90042976      0.12556217      4.03452190
  O     -0.64747246      0.24456688     -1.20261863
  H      0.78318588     -0.19727413     -2.44101406
  H     -2.09541188      0.90481735      5.35530092
  O      1.61411252     -3.15363395     -1.56958881
  H      1.61478278     -1.48731124     -2.54001977
  H      0.27331351      2.28660521      1.36380357
  O      3.14963012     -1.94757617      0.31754952
  H      0.00023042      0.55580163     -0.55441360
  H     -0.16996014      2.86084827      2.74628759
  O     -4.09320004      2.76354685      3.51960991
  H     -0.80871397     -0.68980676     -1.01161964
  H     -3.22487117      1.88173620     -2.15887668
  O     -2.99907591     -3.52087120      2.60016649
  H      2.01701145     -3.97199282     -1.84697603
  H     -2.16967177      1.15083492     -1.29775693
  O      0.20586705      2.83129279      4.48776179
  H      2.17388097     -2.79217158     -0.85839678
  H     -1.41646025      1.15066293      2.07888044
  O      3.51412278      0.50396644     -1.13610445
  H      2.78008181     -1.68383848      1.17016604
  H     -2.63960624      0.23668653      1.73777637
  O     -5.59112456      0.39203748      2.93285903
  H      3.44790645     -1.13364145     -0.10724589
  H     -0.11051175     -2.82202616     -0.99844808
  O     -4.07409094     -1.62609538      4.32338514
  H     -4.66098133      1.99719679      3.38393799
  H     -0.76859587     -2.43618337      0.35636380
  O     -3.01758093      3.35895008      1.02667461
  H     -3.78517333      3.03709906      2.64331016
  H      0.93030540     -1.52221803      2.40699295
  O     -1.84706060      0.04099710      4.99972736
  H     -3.39557599     -3.35230296      1.74002608
  H      1.59291502     -0.57061933      3.42149068
  O     -0.45694260      2.70919662      1.83329603
  H     -3.44268656     -2.93096569      3.22996295
  H     -2.78882221      3.23100867      6.32319757
  O     -3.04901901      1.56533783     -1.27645091
  H     -0.65036055      2.88562382      4.93297294
  H     -3.03103909      2.78902731      4.86057698
  O     -1.81943260      0.28823698      2.24145706
  H      0.57883351      1.97603470      4.73032516
  H      2.15237510      1.00965818      0.04265748
  O     -0.92086035     -2.48057758     -0.60153993
  H      4.21398289      0.97175013     -1.58293104
  H      1.47722555      0.38194602      1.29137173
  O      1.69930780     -0.94575270      2.53962544
  H      2.90640909      0.17594216     -1.82269886
  H     -1.38743552     -2.78739858      2.38719950
  O     -2.41649546      2.71412140      5.61460656
  H     -5.16385378      0.21838278      2.07718064
  H     -1.04958819     -1.29356410      2.14626634
  O      1.35881708      1.03824933      0.58997093
  H     -6.53260797      0.37964113      2.77740327
  H     -2.69242918     -2.71276998     -0.42966804
  O     -0.68251549     -2.19063965      2.09662037
  H     -3.35010314     -1.14638274      4.74411059
  H     -4.05312959     -3.35404112     -0.78094728
  O     -3.63441998     -2.73115287     -0.19173180
  H     -4.65270879     -0.95157728      3.94899027
  H     -3.89171027      0.47394421     -0.06421632
  O     -4.14784749     -0.11570406      0.65713732
  H     -2.08121096      3.30092985      1.27015492
  H     -4.03595455     -1.02486941      0.34917385
          69
 Energy    -249.36934310289232     
  O     -6.25427334      1.53651113     -0.06155156
  H     -5.57491436      2.13908522     -0.39794600
  H     -0.18070841      2.76287343      2.78980926
  O     -5.15705575      0.54814741     -4.51736279
  H     -6.67427155      1.14241898     -0.83921605
  H     -3.57199898      2.55586099     -0.23555067
  O     -5.71452674      2.31924506      2.59460435
  H     -5.37142879      0.49499551     -5.44497702
  H     -3.78574387      2.69455363     -1.75153479
  O     -0.73208778     -1.54878672      2.41552745
  H     -4.77815203     -0.31412907     -4.26551012
  H      0.83455560      0.31040250      0.12406577
  O     -2.51174327     -1.10024968      0.30372472
  H     -5.56774918      1.46195497      3.00982994
  H      0.85451525      1.12798421      1.45076057
  O     -4.06952107     -1.74286219     -3.55060914
  H     -6.04724750      2.13087719      1.70722901
  H     -1.27265647      4.27898656      0.18664357
  O     -5.21423761     -0.85856756      0.87425781
  H     -0.20371391     -2.30422968      2.65846949
  H      0.01272688      3.57182559      0.72474692
  O     -1.78862934     -0.67829129     -2.28026330
  H     -0.13754058     -0.92321484      1.96162888
  H     -6.33758719     -3.11836063     -1.17942757
  O     -3.00798511      1.73961730     -3.11909840
  H     -3.44351004     -1.07053004      0.56057670
  H     -5.64973961     -1.89318088     -0.54118134
  O      0.82521816      0.35205916     -1.77482927
  H     -1.98654320     -1.39967044      1.05554399
  H     -2.54629554      3.23891867      3.40497066
  O     -2.52378833     -0.07857668      4.06923478
  H     -3.20746564     -1.50510120     -3.18319538
  H     -2.11799761      2.17699571      2.37714075
  O      0.68569632      2.82492500      2.35275966
  H     -4.61395922     -2.03745199     -2.80983101
  H     -4.22177459     -0.26635259      3.81533434
  O     -4.10275385      3.02350710     -0.89990956
  H     -5.54270769     -0.01248081      0.53328867
  H     -5.59853093     -0.67790296      4.39072698
  O      0.78732084      0.23828522      1.08544715
  H     -5.26034209     -0.80286682      1.83676334
  H     -2.24378493      0.73144773      0.49918145
  O     -0.53997064      3.68985864     -0.05531003
  H     -0.85501028     -0.44869363     -2.21650612
  H     -1.61340538      2.16695275      0.30542253
  O     -5.86561225     -2.31554390     -1.38806977
  H     -2.06490671     -0.91311700     -1.38097342
  H     -3.40439621      4.55880417     -0.02297457
  O     -1.90184033      2.53695975      3.25438318
  H     -2.61050543      0.91388525     -2.80686176
  H     -3.23277096      4.91064109      1.46444031
  O     -5.17198766     -0.33168512      3.61157508
  H     -3.74057819      1.48058049     -3.69109509
  H     -6.47194311      0.41524948     -3.10249908
  O     -2.33484632      1.66662309      0.71157666
  H      1.61281751      0.17004349     -2.28121468
  H     -6.75132258     -0.72283192     -2.10999407
  O     -2.84315861      5.04976718      0.59345194
  H      0.47105125      1.19808629     -2.10530048
  H     -4.47991271      5.00235581      3.68308490
  O     -7.00876557      0.17878057     -2.33611861
  H     -2.26273400      0.84326391      3.94231294
  H     -4.65901180      3.65713585      2.94357242
  O     -4.01682358      4.35984166      3.15239333
  H     -1.88170442     -0.61122334      3.58477214
  H     -1.25305043      2.50575406     -2.90492084
  O     -0.34592840      2.63080438     -2.60067410
  H      1.28818580      3.20538832      2.98674395
  H     -0.39207074      3.14559767     -1.78146306
          69
 Energy    -249.36914773091462     
  O     13.03715135      3.63543265    -12.16074218
  H     13.42557320      3.94081651    -12.99221139
  H     14.49149462      9.53396195    -11.61338493
  O     15.65752388     11.18193714    -13.83744259
  H     13.77332437      3.54905737    -11.54329047
  H     17.82045123      7.62913530    -12.75543911
  O     18.01643536      8.60953073    -14.27508626
  H     15.49654091     10.47549435    -14.47656190
  H     17.83732687      7.92497711    -11.23776174
  O     17.94566061      9.51647418    -10.42703151
  H     15.05252911     11.03189982    -13.09835502
  H     15.86351232      7.60904926    -11.71997356
  O     11.64621073      9.87714973    -10.58070032
  H     17.11746361      8.67611304    -14.63243940
  H     14.53522385      7.26181135    -10.97138310
  O     15.75626264      4.19648256    -16.71311706
  H     18.21553419      9.45092080    -13.84689032
  H     10.60503616      4.86508233    -10.55779183
  O     11.32622424      7.80977264    -12.27866454
  H     17.20484099      9.85224275     -9.90927081
  H     11.88196454      4.68808819    -11.41441948
  O     16.71572686      4.73661610    -12.58218722
  H     18.05031890     10.11770846    -11.17600986
  H     19.95227533      6.90451600    -16.20926792
  O     13.41984205      8.70960628     -8.62373269
  H     10.82058959     10.34495082    -10.49218333
  H     18.80315828      7.39579658    -15.30054093
  O     16.48459800      6.94616455    -17.15702817
  H     11.48704823      9.14410350    -11.20350917
  H     13.73649361      6.42941251    -14.19561494
  O     15.58176820     10.59035755     -9.17162401
  H     16.56817313      4.10528719    -16.18061195
  H     14.00954719      7.52710334    -13.15010248
  O     14.20128102     10.45905195    -11.55259685
  H     15.74380721      3.46733662    -17.32691423
  H     18.65215157     11.84234596    -13.03805341
  O     17.63267329      7.23857456    -11.89070256
  H     11.24607666      6.94917379    -11.84916235
  H     17.26335464     11.17872186    -13.20586815
  O     14.92259006      7.81528130    -11.66077586
  H     11.95988756      7.69096643    -12.99831818
  H     15.74637720      8.23056562    -16.11117503
  O     11.36023366      5.33321355    -10.90356642
  H     16.29295890      4.37038432    -11.79626656
  H     14.72372624      8.34354000    -14.95304457
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  H     17.63147266      4.28458508    -14.17562310
  O     13.52540889      7.34582379    -13.97117836
  H     12.76012658      9.12210247     -9.19647086
  H     18.41796189      4.99949397    -15.30489141
  O     18.16584590     11.04132772    -12.86280071
  H     14.19407855      9.28333950     -8.65622548
  H     14.76913809      4.51599233    -15.17214850
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  H     15.25832237      4.80405177    -13.72956612
  O     17.92788975      4.19514481    -15.09095921
  H     17.40947761      6.85320555    -16.89934709
  H     15.48153493      3.49033993     -9.52488717
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  H     15.58709424     11.45473201     -8.76636423
  H     14.76489608      4.77528003     -9.99657638
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  H     15.12064728     10.68363600    -10.02225945
  H     13.63500865      7.03012045     -9.16224568
  O     13.74556958      6.21434930     -9.67421271
  H     13.26971823     10.42823730    -11.30183248
  H     12.87610799      5.96093727    -10.01158810
          69
 Energy    -249.36903343000753     
  O     -3.12429273      5.02825372      4.20933609
  H     -2.47203358      4.83436788      3.52447502
  H     -2.48818382     -3.19874286      2.79402527
  O      1.27604627      1.01028700      1.39539755
  H     -2.85337759      4.51916488      4.98508570
  H      0.70050326      1.87520421     -1.92863302
  O     -1.88703494     -0.07075614      3.92237876
  H      0.98216113      1.21639146      0.50087251
  H     -0.44175968      2.26479188     -0.96150788
  O     -3.51075622      0.52595292     -0.05035492
  H      0.88706441      0.15373976      1.61749299
  H     -6.28033220      5.15911420      4.29690624
  O     -2.81285276     -3.12654344     -0.47065385
  H     -2.51225083     -0.80642459      3.91322578
  H     -4.81586887      4.72944720      4.03335953
  O     -0.30288635     -1.23831448      1.97056161
  H     -2.32876591      0.65833508      3.46089465
  H     -1.39175614      3.80203425      0.47021444
  O     -5.72031024     -0.43972448      4.97248878
  H     -3.73195432      1.34889801     -0.50085019
  H     -2.48583268      3.49510695     -0.57185806
  O     -6.49065120      0.27523519      2.30906585
  H     -2.68633197      0.16292527     -0.39862577
  H     -5.81451813      3.41268038      2.46666569
  O     -2.51116425      3.29575295      6.36918924
  H     -2.71990004     -3.71829978     -1.21373653
  H     -6.03474403      1.95493208      1.91576320
  O     -1.17442261     -0.83832609     -0.62787890
  H     -2.23198822     -2.36973902     -0.64828890
  H     -0.45524395      3.70225225      2.67671485
  O     -4.83279506     -1.63626761      0.94504637
  H     -0.62020927     -2.14768315      2.06166913
  H     -1.88808958      3.18754846      2.36996328
  O     -1.79731330     -3.54774612      2.21582664
  H     -0.76385168     -0.74485234      2.66389107
  H     -4.97022208      3.49756320     -1.32611445
  O      0.16596867      1.54540917     -1.21114593
  H     -5.39568693      0.45523415      5.17819283
  H     -4.84208935      3.07833656      0.15536518
  O     -5.74400443      4.43251629      3.99245867
  H     -6.31580993     -0.68140654      5.67720061
  H     -4.20181578     -1.89231166      2.66192030
  O     -1.53116727      3.50724618     -0.44026261
  H     -6.32760409      0.02982312      3.22837244
  H     -4.49171255     -1.59221474      4.14507789
  O     -5.63459481      2.81877915      1.72766640
  H     -6.12689272     -0.44664480      1.78283855
  H      1.21503820      2.21944807      2.63047795
  O     -1.31165916      3.96659385      2.31830638
  H     -2.32727349      3.50578026      7.28078111
  H      1.97189964      3.29616049      3.44208831
  O     -4.36534497      3.12100141     -0.69229122
  H     -1.75877079      2.76701059      6.04850660
  H      0.11858572      2.17427040      4.74507158
  O     -3.85508015     -2.01864298      3.55701388
  H     -0.86125215     -0.98109687      0.27972193
  H     -0.90402724      1.03892398      4.98359801
  O      1.10999867      2.91096263      3.30829508
  H     -0.65598297     -0.10427924     -0.98136073
  H     -5.32659561      2.85488247      5.01244627
  O     -0.49051014      1.80993741      5.39785527
  H     -4.37570909     -2.32505477      0.45075939
  H     -4.08786590      2.41980736      5.81285809
  O     -4.92551860      2.09920500      5.45648390
  H     -4.44942528     -0.80946514      0.61040246
  H     -3.06796514      1.31861925      1.53081838
  O     -3.06443140      1.82801911      2.35279602
  H     -2.18159454     -3.57615686      1.33141139
  H     -3.94723528      2.21114598      2.40505379
          69
 Energy    -249.36763788685977     
  O     14.31820511     10.89155605    -17.45106187
  H     15.22097821     11.20901184    -17.32864963
  H     16.43456853      4.97978225    -13.88907905
  O     16.03662058      6.45307977    -12.84782587
  H     13.87104093     10.95640726    -16.59848845
  H     19.16807425      6.47884676    -11.28646613
  O     18.54987918      9.73438540    -12.38476652
  H     15.26676974      7.01019161    -12.67214456
  H     20.35689076      6.84767994    -12.18497237
  O     17.97605730      6.82100331    -17.13664948
  H     16.69442003      6.69500298    -12.18270109
  H     16.31293606      8.84417970    -18.87172851
  O     15.99656572      4.75366187    -17.06500042
  H     19.38700912      9.34177717    -12.66556034
  H     17.60426936      8.28240738    -18.24202442
  O     16.48342806     10.98435076    -10.77997562
  H     18.12559677     10.05484387    -13.19288593
  H     16.37588615      7.39386888    -14.35752163
  O     14.08876722      8.38806271    -12.30600159
  H     17.44454411      6.03540519    -17.30930174
  H     15.60058439      7.70580756    -15.66894089
  O     17.17933888     10.46420594    -14.70933512
  H     17.52631836      7.26109067    -16.39747965
  H     13.66239798     11.02222158    -14.24573671
  O     19.53446702      4.31634188    -13.76173134
  H     15.84772131      3.91267634    -17.48800154
  H     12.28700408     11.54220152    -14.71795450
  O     15.27164290      8.53740775     -9.80870275
  H     16.27066091      4.56132498    -16.14862262
  H     13.10632810      7.61875861    -15.34335827
  O     20.12895422      6.63597810    -15.32538474
  H     16.12709846     10.23812196    -10.28311557
  H     12.67415876      9.01696136    -14.84976847
  O     16.80440811      4.35556006    -14.52775923
  H     17.30335412     10.67116780    -11.18380520
  H     21.70228363      8.62844813    -13.46875341
  O     19.92531277      6.10028916    -11.75239658
  H     14.45603506      9.24588602    -12.56043905
  H     20.56387302      7.79419514    -14.09987161
  O     17.22687523      9.06826509    -18.65814601
  H     13.47238757      8.15408450    -13.01574303
  H     16.93582241      7.81272498    -10.35592212
  O     16.39524203      7.92521045    -15.16394091
  H     17.26521434     10.90831522    -15.56027600
  H     17.97133926      8.32204516    -11.39470128
  O     12.99461768     10.94431564    -14.94776229
  H     16.91478112      9.54908029    -14.90054082
  H     14.29823498      9.47609737    -18.42793547
  O     12.66657200      8.08025027    -14.61771573
  H     20.09367940      3.55547540    -13.62777149
  H     13.86956309      8.72504086    -19.71341587
  O     20.80564200      8.33625350    -13.32700168
  H     19.65429413      4.88875996    -12.98291680
  H     15.41175579     11.13518948    -12.23680353
  O     17.68862991      7.54122960    -10.89397980
  H     14.74337627      8.43106362    -10.61755474
  H     15.74510179     10.84768998    -13.71697782
  O     14.39894547      8.64267303    -18.92496288
  H     14.69130023      8.34920542     -9.07551086
  H     17.24785788     10.59802222    -17.82716870
  O     15.00862856     10.94641184    -13.09560852
  H     19.95563967      5.78764853    -14.89847413
  H     17.60245663     12.10450395    -17.81447765
  O     17.13741294     11.42861143    -17.32900162
  H     19.49946841      6.70053259    -16.05367818
  H     14.76107447      6.15455241    -16.85560344
  O     14.27661541      6.97311986    -16.68538147
  H     17.73551041      4.26254394    -14.29155188
  H     14.27105885      7.48151690    -17.50772490
          69
 Energy    -249.36721026501570     
  O     -0.25869400      2.92664467      1.77346049
  H     -0.46145997      2.08607088      2.21155172
  H     -3.71801076     -0.80653935      1.97008419
  O      0.80119820     -0.62843043      4.57652926
  H     -1.08799873      3.41613368      1.73951978
  H      3.07641315     -2.00156959      1.79078228
  O      1.68173677     -3.82910603     -0.56477787
  H      1.59933391     -0.13425787      4.35724006
  H      3.15380495     -0.52499035      2.31857157
  O     -2.45852627     -1.68007521     -0.98505729
  H      0.07842407     -0.17193487      4.12515019
  H     -1.30698971     -3.81342022      1.25583221
  O     -3.99559605      0.57858809     -1.02861034
  H      2.15281941     -3.87773216      0.27548993
  H     -0.45309378     -2.65529364      0.70968801
  O     -3.62828361      1.12072166      1.74666972
  H      0.74610075     -3.89267136     -0.32875643
  H     -1.97023427      0.62148434      2.51516768
  O     -2.49438467      3.02546027     -1.17434171
  H     -1.71887106     -1.15757518     -1.33450030
  H     -0.63049896     -0.08982477      2.16811630
  O      0.24977911      2.33364693     -0.92546946
  H     -2.04693651     -2.47862163     -0.62912485
  H     -2.70649236     -4.30174163      3.45664475
  O      1.99443380     -1.87174421     -2.42354534
  H     -3.51456329     -0.26321486     -1.08782909
  H     -2.64100894     -2.98638312      2.65148426
  O     -0.20726280     -0.27952480     -1.69322475
  H     -4.84096023      0.43787521     -1.44894201
  H      2.78542793      2.77515514      1.04510784
  O      0.29019495     -1.01028684      0.96708623
  H     -3.79715253      0.94949356      0.81003561
  H      1.57594668      2.95585065      1.98261878
  O     -3.52383212     -1.72641362      1.75820660
  H     -3.48462203      2.07313442      1.80615327
  H      1.97842888     -3.63896987      2.67369260
  O      3.03619474     -1.07203071      1.53108501
  H     -2.96191199      2.18699441     -1.27330261
  H      3.29194861     -4.44380155      2.52621564
  O     -0.89692409     -3.48005823      0.44989681
  H     -1.55354090      2.83285979     -1.27950479
  H     -0.28446422     -3.41580494      3.52483046
  O     -1.05646983      0.51011777      2.80118410
  H      0.05804424      2.49067014      0.01050501
  H      0.70950911     -2.35787697      4.06395683
  O     -2.10844713     -3.73081731      2.98142390
  H      1.18813475      2.53166560     -1.03667645
  H      2.95246928      1.49734445      3.07822748
  O      2.52317446      2.76146644      1.97260320
  H      1.91731114     -2.58925035     -1.76903171
  H      3.84872783      1.02903637      4.24784906
  O      2.75517328     -3.78152442      2.10028427
  H      2.20513762     -2.28501897     -3.25664610
  H      3.10539638     -0.61645944     -1.55234934
  O      0.65037295     -3.24499850      3.67819644
  H      0.00471548      0.65211411     -1.54081324
  H      3.46001057     -0.36401290     -0.07556745
  O      3.16672419      0.73733711      3.64882280
  H      0.56469635     -0.73116340     -2.05825336
  H     -2.80241579      3.65809681      0.43182238
  O      3.52914135      0.01719852     -0.96289188
  H      1.23613891     -1.01870789      1.16120808
  H     -3.34401451      4.70879503      1.43312807
  O     -2.90405971      3.86496752      1.37893922
  H      0.17510682     -0.68834162      0.06453217
  H      3.70043422      3.13516192     -1.33540151
  O      3.02953684      2.65214731     -0.86129331
  H     -3.19994613     -1.71506129      0.84950242
  H      3.25788161      1.70666698     -0.93113222
          69
 Energy    -249.36668331815986     
  O     16.49944155      9.81430135    -11.52700699
  H     16.62058939     10.75505187    -11.35289335
  H     13.13892738      9.41325828     -9.48309283
  O     15.15758118      4.80328773     -6.95875453
  H     17.35578935      9.41948666    -11.74589908
  H     12.44674211      8.54099595     -5.62871396
  O     16.86855606     12.44714894    -10.71752395
  H     15.49219496      5.09808411     -7.82442703
  H     13.81324720      8.02560244     -6.14056214
  O     12.62199025      5.81063413     -7.81173957
  H     15.57123183      3.96497057     -6.77179777
  H     16.14708359      4.77065270    -12.47265695
  O     14.86618056      8.03474953    -12.83726131
  H     17.70318260     12.25243245    -10.25195740
  H     16.99376038      3.70385310    -13.20062153
  O     18.79474426      8.34920896    -11.99166903
  H     16.97686421     13.29229022    -11.14441385
  H     15.42623836      5.61273634    -10.16807884
  O     20.63047615      9.50663790    -10.16225048
  H     12.59475656      6.66155187     -7.35744964
  H     15.85105875      6.78619470     -9.25106594
  O     18.36535685      5.90508109    -10.63094857
  H     13.39710648      5.35440831     -7.46251946
  H     17.83454862      7.61714989    -13.56430301
  O     12.15545802      5.64619740    -10.47275251
  H     15.53045257      7.73204802    -13.47304003
  H     17.23863490      6.22061627    -13.79782139
  O     15.46091055     11.83893166     -8.27277980
  H     15.31382342      8.74693314    -12.35720141
  H     16.86019091     11.49088871     -7.28665282
  O     12.71213200      8.44492359    -10.94675778
  H     19.50039973      8.80651487    -11.51847050
  H     17.75136991     11.89620679     -6.08902055
  O     13.52019960      9.82086332     -8.68997159
  H     18.64507672      7.52180487    -11.51176799
  H     16.18319263      8.96638254     -9.99811517
  O     12.91506705      8.28264722     -6.41823401
  H     20.38184723      8.77793425     -9.56460458
  H     15.06095994      8.92810435     -8.93856686
  O     17.04364365      4.56028023    -12.78304154
  H     21.58347311      9.52408739    -10.19366912
  H     19.61617711     10.97944117     -9.58076826
  O     15.90678733      5.82311628     -9.35742567
  H     18.15613469      5.34931728    -11.39088615
  H     18.73954889     11.53788744     -8.42461375
  O     17.18508051      7.13728911    -14.09330002
  H     17.56877998      5.87187312    -10.08169261
  H     15.38821275      6.46170789     -6.05258462
  O     17.70196423     11.30162756     -6.83273762
  H     11.28229783      5.28484662    -10.60090411
  H     16.22614152      7.76002356     -6.10015990
  O     15.89772502      8.51767447     -9.19182555
  H     12.30532761      5.68143288     -9.51110817
  H     13.72499211      5.39972649    -11.42298644
  O     19.05174884     11.71725193     -9.32027822
  H     15.77849153     12.10820664     -9.14291422
  H     14.68447724      6.37921879    -12.14944968
  O     15.39338422      7.38869486     -5.78295413
  H     14.71655542     11.24125671     -8.42124335
  H     19.07473510      7.72792915     -8.02079226
  O     14.61271350      5.47873364    -11.79518157
  H     13.31834198      8.40079746    -11.69580281
  H     19.37523502      6.79262848     -9.22791998
  O     19.76421395      7.45084678     -8.63984499
  H     12.42881960      7.53644896    -10.79161125
  H     17.05072653      8.51831723     -7.85762451
  O     17.64878147      8.51168664     -7.09307395
  H     13.18591479      9.34905017     -7.91654835
  H     17.77314476      9.44091562     -6.86151942
          69
 Energy    -249.36657979920946     
  O     12.38187662     12.69065701    -13.98509235
  H     12.04173870     13.56139845    -14.17445731
  H     12.29927125      9.33863407    -16.21930657
  O     19.11545921      9.50201411    -13.42279706
  H     13.11986571     12.53575100    -14.59957186
  H     16.15881427      9.42391458    -14.76515319
  O     15.99820760     11.05663559    -11.99100344
  H     18.68716530      9.23861398    -14.25050046
  H     15.61928064     10.16391320    -13.49872089
  O     11.34296318     10.10652343    -14.83556460
  H     18.93924088     10.44333263    -13.31994891
  H     13.82893710     10.08676034    -17.79091602
  O     13.61547394      7.74134527    -13.68044893
  H     16.22400106     10.29460613    -11.43655636
  H     13.87381341     11.05193552    -18.99900211
  O     14.56401733      6.73892696    -11.30269251
  H     16.80970214     11.49658476    -12.27085580
  H     13.62666875     10.45988256     -9.95984571
  O     18.69949601      7.70551024    -11.46541149
  H     11.24603188      9.67438371    -13.97841284
  H     14.78858762      9.53794308     -9.52737388
  O     14.41200851     11.95817111    -15.65264194
  H     11.57003210     11.01892058    -14.62336615
  H     17.51636997      9.31947009    -16.50147851
  O     16.30884983      8.77254657    -10.48361371
  H     12.88051763      8.17969475    -13.23241394
  H     17.29118743      7.95258832    -15.74931327
  O     17.12616600     10.56444550    -17.86933439
  H     14.23196191      8.43535410    -13.96018880
  H     17.36974645     11.91035182    -16.42820722
  O     16.83532097      5.97970096    -12.86430756
  H     14.27077638      7.02839965    -12.18082838
  H     16.22607626     12.51339950    -15.61684013
  O     12.85719764      9.00783037    -16.93799603
  H     13.79821226      6.83728343    -10.72604023
  H     18.78802023     12.98208008    -12.99486605
  O     15.35811861      9.74707542    -14.33083100
  H     19.53538488      7.38615152    -11.13705077
  H     17.91574175     12.34707631    -14.10282465
  O     14.36191001     10.77963254    -18.22685186
  H     18.90052525      8.34876989    -12.16940900
  H     12.91684161     11.92088791    -12.34532879
  O     13.88015761      9.78736158     -9.31469178
  H     14.67551996     11.14254862    -15.19477367
  H     14.23330639     11.34483460    -11.77322971
  O     17.62640398      8.86066749    -15.66238305
  H     14.29643329     11.71559729    -16.57845693
  H     16.60726251      6.17511112    -14.67077037
  O     17.18947368     12.50193107    -15.68940066
  H     17.19410662      8.43696484    -10.67507754
  H     15.58060382      6.31620543    -15.82988955
  O     18.25394352     12.21893854    -13.19885910
  H     15.70074569      8.07169894    -10.76094849
  H     11.72213754      8.54058030    -11.39404960
  O     13.27344311     11.36479007    -11.64186854
  H     17.55284596     10.54090488    -18.72282584
  H     12.23779038      9.87776146    -11.97627117
  O     16.51178304      6.41267256    -15.60615634
  H     16.17117056     10.60129065    -18.03657076
  H     11.81337970      7.33718325     -9.03647423
  O     11.71887962      9.08720839    -12.18865477
  H     17.53046753      6.49166706    -12.43448897
  H     12.82939434      8.39906122     -9.52162243
  O     12.29730540      7.63239671     -9.80282855
  H     16.07993189      6.02775183    -12.26672458
  H     13.56956156      6.78303945    -15.13617412
  O     13.63919186      6.39787307    -16.02805002
  H     13.09543987      8.09973067    -16.72288960
  H     13.11255514      5.60229597    -16.02498824
          69
 Energy    -249.36620652379492     
  O     15.81967147     13.36268598     -9.71130242
  H     16.76310050     13.23476003     -9.55797943
  H     13.57409912     15.91443500    -15.83920233
  O     14.80602076     13.09849999    -16.56986309
  H     15.35652691     12.63057785     -9.28211100
  H     13.16823012     14.56364802    -12.21730182
  O     16.74346678      8.88446476    -11.36950227
  H     15.76367352     13.00387245    -16.63754132
  H     12.98324201     14.51772311    -13.74323891
  O     14.21195694     10.59003302    -15.43825518
  H     14.46939639     12.24324451    -16.27247455
  H     20.66522304     12.80214615    -11.92895231
  O     16.33203240      6.54195309    -12.83472283
  H     17.20076257      9.50095686    -11.95968624
  H     19.32819411     12.75664635    -11.16121737
  O     16.17419979      7.51151064    -15.35671942
  H     16.69378866      8.03199164    -11.81854444
  H     13.90838548     10.92871427     -8.01159035
  O     15.86382081     12.54475669    -12.37640602
  H     15.16895711     10.44549527    -15.41772594
  H     14.30959252     10.53985640     -9.45288235
  O     14.07386140      9.67045895    -10.98169977
  H     13.80537147      9.71755559    -15.51136762
  H     18.18850126     12.95853027    -17.34367444
  O     16.99056348     10.20312250    -15.48426159
  H     16.69720755      5.66154680    -12.83014336
  H     17.98610787     13.16684861    -15.82554076
  O     18.51586019     14.03795715    -14.40513005
  H     16.34825405      6.85045094    -13.75886217
  H     13.33595059      7.75712851    -14.39982954
  O     13.38944781     11.46872022    -12.93455773
  H     16.55192504      8.38744863    -15.51280044
  H     12.59536917      7.45484512    -15.72455728
  O     13.93005452     15.27042117    -15.23346788
  H     15.22626118      7.59379269    -15.51927362
  H     17.22013445      9.67038706     -9.77447729
  O     12.70699829     14.08994642    -12.92404063
  H     14.99013739     12.19986810    -12.60375719
  H     16.43071143     10.45879043     -8.71824096
  O     19.71977077     12.74445468    -12.04852063
  H     15.82638302     12.83104457    -11.45443089
  H     17.13521610     11.44850172    -12.78890788
  O     14.59232080     11.03854655     -8.66696766
  H     14.99508016      9.43628032    -11.16883482
  H     18.66783358     11.31952319    -12.73197940
  O     17.64822236     12.69084313    -16.60479787
  H     13.77484976     10.29772212    -11.65878171
  H     14.86367215     14.83757452    -10.50398080
  O     13.33098599      7.93697967    -15.35705314
  H     17.35968405     10.34469905    -14.60064738
  H     15.07841173     15.55926814    -11.84218005
  O     17.32680902     10.26600486     -9.01969413
  H     17.26051502     10.97017148    -16.00441156
  H     13.58390523      8.11682480    -12.03836795
  O     17.86844514     10.82955047    -12.94923149
  H     17.76198154     14.56080307    -14.09457777
  H     14.46789826      7.00607966    -12.63959992
  O     14.43278522     15.42479270    -11.13707765
  H     18.93636179     13.67902721    -13.61775272
  H     19.04107724     12.85962182     -8.67251048
  O     13.59481481      7.41394681    -12.69878979
  H     13.56977250     11.19642485    -13.84412040
  H     18.21071492     11.72278676     -9.31511462
  O     18.59152714     12.60606907     -9.47537943
  H     13.00777319     12.36116799    -12.94103388
  H     16.00321548     14.20665851    -13.14844142
  O     16.12884146     15.11406227    -13.46674281
  H     14.20495326     14.50265649    -15.76637690
  H     15.41787508     15.27846049    -14.10002010
          69
 Energy    -249.36522383314002     
  O     16.93877689     10.23203663    -14.06546393
  H     16.53257870      9.68131150    -13.37761045
  H     11.81721397      8.54688807     -9.38624468
  O     16.80320649     12.47313430    -12.48572130
  H     16.93601840     11.12735524    -13.70017161
  H     18.63141627      4.79671929    -15.15789415
  O     13.19454115      6.27403472    -11.59482105
  H     15.94316765     12.46831012    -12.04867710
  H     19.92549532      4.05650084    -14.74548124
  O     15.62805526      8.61852097    -15.88275449
  H     17.45517789     12.31485508    -11.79148239
  H     15.69682825      5.97875212    -13.14968551
  O     19.33244518      8.90040619    -13.68735071
  H     14.14810240      6.12220492    -11.59822898
  H     16.93246280      6.12399557    -12.22643038
  O     20.29778853      9.81058690    -11.25378618
  H     13.02483741      7.00956477    -10.99409134
  H     19.12269549      7.45993378    -16.52618646
  O     18.73271330      6.49781918    -12.43442437
  H     14.68795348      8.79195114    -15.72360063
  H     19.85084595      6.52059343    -15.54338994
  O     12.37812614      6.22662020    -14.18348942
  H     16.12407984      9.25215221    -15.34535937
  H     16.80983257      7.90410429    -17.01678521
  O     14.20721102     12.25152000    -11.24561401
  H     18.55202309      9.43368630    -13.88911459
  H     17.40631044      7.75968781    -18.43305387
  O     13.03169271      8.88840516    -15.03193826
  H     19.62516789      8.48261622    -14.51002790
  H     15.79791434      7.86633687    -12.09189465
  O     13.26815015      9.91901743    -12.39430430
  H     20.08294230      9.04202770    -10.71363608
  H     16.19801400      9.09815601    -11.22017424
  O     12.53208599      8.56596605    -10.01713438
  H     20.09048998      9.55456829    -12.16495485
  H     19.31209360     11.14753802    -10.75125796
  O     19.42238641      4.85157920    -14.59157373
  H     18.88408118      7.35868875    -12.85406084
  H     19.11877336     12.42148728     -9.89422308
  O     15.96749371      6.08670657    -12.22490916
  H     19.01847875      5.83481715    -13.07560169
  H     17.59128789     10.35063817     -9.87369028
  O     19.87029771      7.40951529    -15.91722322
  H     12.59346504      6.23895439    -13.23341857
  H     17.74779538      8.82195914     -9.65532157
  O     17.49489870      7.44964296    -17.53525872
  H     11.62889469      5.64708110    -14.28962218
  H     14.14237296      6.00300772    -14.73437527
  O     15.76412368      8.82984293    -12.04027969
  H     13.60013737     12.98493707    -11.31559783
  H     15.30650086      6.93290128    -15.17364756
  O     18.64741318     11.77411315    -10.41196189
  H     13.81227206     11.51671613    -11.74383662
  H     19.45924145      6.89304524     -9.29473717
  O     17.10033884      9.53669226     -9.69503373
  H     12.68246015      8.01253684    -14.82610123
  H     18.99341981      7.06728974    -10.75691827
  O     15.09994829      6.04545403    -14.84732133
  H     13.02254457      9.36662634    -14.19277260
  H     15.36897594     10.00070148     -9.15015445
  O     19.10436689      7.53020953     -9.90977923
  H     14.15631728      9.52922086    -12.33802742
  H     14.40532550     11.06207078     -9.71373431
  O     14.44915380     10.29566936     -9.12859466
  H     12.76785012      9.49009448    -11.68961543
  H     17.37306556      5.67438278    -16.81510077
  O     17.25624369      4.93160481    -16.20943436
  H     13.22491124      9.13174417     -9.63311882
  H     16.43969267      5.12983972    -15.73062055
          69
 Energy    -249.36497701961491     
  O     13.15920758      9.19291678    -10.85116926
  H     13.55476475      9.81636929    -10.23154296
  H     14.36440355     15.68634634     -7.95068355
  O     10.79017992      6.22722595    -12.02664162
  H     13.88059997      8.62328825    -11.15250485
  H     10.86235894     11.91942599    -10.84492155
  O     14.62614557     10.74701955     -9.02637520
  H     10.78826649      7.16428356    -12.28970094
  H     12.24430399     12.36622681    -11.43838835
  O     15.24882309      7.43045938    -11.45219454
  H     10.00067159      5.83528639    -12.39052178
  H     14.75838199      8.84292996     -6.08756530
  O     13.95902289     15.14509145    -12.73546454
  H     14.71092320     10.09411794     -8.32163163
  H     13.50650359      9.25975467     -6.89464156
  O     11.71529515      7.17609058     -9.56367424
  H     14.00075811     11.41941620     -8.71976241
  H     11.24051001      9.80684555     -7.40520703
  O     13.73267595     12.34109516    -12.58516251
  H     14.70085667      6.91501777    -12.06407574
  H     12.14385963     11.05539744     -7.28117498
  O     15.72280999     14.48782556    -10.56162208
  H     15.10652752      7.09922732    -10.55342605
  H     13.50451943      6.62551530     -9.00997837
  O      9.91922910      8.93773048     -8.46508645
  H     13.26331930     15.30011582    -12.07078726
  H     14.53762756      7.39990104     -8.19354805
  O     12.14132179     15.31664656    -10.72879569
  H     13.88565006     15.84199721    -13.38110241
  H     16.41268463     10.99864557    -11.61333808
  O     14.48046058     10.18121713    -14.20097403
  H     12.23858251      7.90365145     -9.93645056
  H     15.64455790     11.37306913    -10.31773362
  O     13.99339989     15.02507354     -8.52845548
  H     11.36749965      6.68107271    -10.31648494
  H     11.83204739      9.10346303    -12.06659597
  O     11.57153274     12.57377934    -10.77694471
  H     14.51473431     12.13735692    -12.05161765
  H     11.51369676      8.80809035    -13.55293550
  O     14.39222959      8.85938066     -6.96796925
  H     13.79089889     13.28121739    -12.79902475
  H      9.72280533     10.03007838    -10.05269427
  O     12.00917425     10.15977204     -6.94250677
  H     16.00181624     13.57936214    -10.73614590
  H     10.02424216      9.96411592    -11.56900685
  O     14.45579933      6.73752612     -8.89108776
  H     15.26881183     14.78408227    -11.36034117
  H     12.54826281      8.41147356    -15.91772377
  O     16.04846670     11.74199113    -11.11893685
  H     10.50134670      8.22935129     -8.78722053
  H     13.33886444      9.04445805    -14.74726703
  O     11.11082140      8.88542261    -12.67918053
  H      9.17752423      8.51404363     -8.03918972
  H     17.57029476      9.08261001    -12.88229723
  O      9.71823367     10.55043437    -10.86484979
  H     11.76009783     14.42679569    -10.75177426
  H     16.27251203      8.67050489    -12.15054813
  O     12.65453462      8.38616818    -14.97116854
  H     12.65587388     15.35776517     -9.91377997
  H     13.23745523      6.93040748    -13.87361407
  O     16.72814646      9.41457611    -12.58167488
  H     14.13773902     10.95284248    -13.72954343
  H     12.59969182      6.06521983    -12.77966140
  O     13.44699677      6.29310975    -13.17849368
  H     15.29281959      9.92689242    -13.74915940
  H     12.22160554     12.54643634     -9.11648095
  O     12.68939132     12.55538512     -8.26684760
  H     14.66860936     14.83208881     -9.20359973
  H     13.11662240     13.41798597     -8.19837337
          69
 Energy    -249.36490010144485     
  O     16.96544996      9.53672386    -10.74253183
  H     16.54398732      8.98399061    -10.06351439
  H     13.68975434      8.64814518     -6.31139426
  O     13.79141285      5.23722607     -7.74918317
  H     16.56052190     10.40976540    -10.67773739
  H     19.01436564      4.66455375    -11.14140664
  O     15.40592494     11.81563016    -10.33589630
  H     13.16051944      5.37170183     -8.46510260
  H     19.67532761      3.53353415    -11.96004241
  O     12.40702221      5.81002078    -10.22559094
  H     14.62836308      5.05190439     -8.19718268
  H     16.96225629      5.23236331     -9.56635853
  O     15.45742392      8.25327560    -12.70840593
  H     15.41842214     12.76259145    -10.44186997
  H     15.59974897      5.26204481    -10.33419540
  O     19.35033927      8.24112925    -10.53050445
  H     15.40014804     11.64021192     -9.37663370
  H     19.58217536      7.47456894    -12.23467688
  O     20.06748832      9.09582494     -7.89884933
  H     13.14773614      5.71921214    -10.84846350
  H     19.50254274      6.03042911    -12.77885057
  O     18.73968611      5.64209104     -9.68120715
  H     11.64149888      5.43962212    -10.65779610
  H     17.45061943      9.27785790     -6.29780984
  O     15.51609853     11.19343465     -7.71708892
  H     16.04323643      8.69536617    -12.07758643
  H     17.94137539     10.53842166     -5.54838556
  O     13.52816987      9.99081325    -11.53596452
  H     16.01417006      7.95695527    -13.43927659
  H     18.09871234      7.17081258    -14.06992053
  O     12.98523974      8.44106967     -9.34951168
  H     19.71412101      8.55457047     -9.69464136
  H     17.49840859      7.39141313    -15.47909784
  O     13.54874773      9.45519734     -6.81766786
  H     18.54691551      8.76255113    -10.68299424
  H     15.79737918      6.94636268     -9.15546090
  O     19.11204191      4.29958216    -12.03700092
  H     20.87531393      9.52345563     -7.62272735
  H     14.76366344      8.10913663     -9.04010714
  O     16.00422891      5.17611288     -9.45927513
  H     19.34465733      9.54252062     -7.43093153
  H     13.95776843      6.27124381     -6.34205571
  O     19.49452713      6.95802872    -13.04630510
  H     18.89774365      6.52180578    -10.05181947
  H     13.65924500      6.48496780     -4.84168437
  O     17.92557997     10.12095727     -6.40692540
  H     18.90083179      5.73245892     -8.73109545
  H     14.83566250      6.64620373    -12.07193554
  O     17.26787866      7.18037616    -14.57837634
  H     16.34659648     10.90222327     -7.33096916
  H     15.21257597      5.18936729    -12.41289705
  O     15.70440676      7.89260137     -8.98375995
  H     14.82109349     10.63172789     -7.34093181
  H     18.22793871      6.76037137     -6.74790658
  O     14.11021849      6.86918390     -5.58845430
  H     14.09998576     10.68982766    -11.19413618
  H     19.56225854      7.28591809     -7.29026117
  O     14.64985761      5.72639779    -11.83569704
  H     14.08484807      9.43699186    -12.09879284
  H     16.32910435      7.85907867     -7.32267394
  O     19.08294964      6.47221003     -7.09423526
  H     13.05954723      9.01246769    -10.12929485
  H     15.85830653      7.40711935     -5.93105638
  O     16.62911237      7.73621218     -6.40770129
  H     12.65255378      7.58584872     -9.64343998
  H     17.41893608      4.40464818    -12.96440966
  O     16.59453601      4.62843446    -13.41284364
  H     13.17439064      9.16457210     -7.66200552
  H     16.78893476      5.41806574    -13.93379648
          69
 Energy    -249.36459830308962     
  O      0.99111835      1.17381815      1.50592682
  H      1.00121696      1.97201331      0.95879567
  H      3.00817815     -1.81553245     -0.21230592
  O      1.59894595     -2.43958065     -5.37593521
  H      0.16144054      0.72772967      1.30160965
  H     -1.32657600      1.16945865     -0.90512339
  O     -1.38360430      3.94889787     -3.29121403
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  H      1.87001019     -3.16589044     -5.93148918
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  H     -1.36635848      3.22133636     -2.65227506
  H     -1.10392292      0.84853437     -3.20527592
  O      4.92048999      0.28452498     -3.43050937
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  H      2.67067399      0.15212127     -0.70606286
  H      2.10293381      2.81880594     -4.38024637
  O     -1.38914428     -0.13631935      0.45421620
  H      2.47190521      0.43114029      0.79459870
  H      3.28943598      2.90040673     -2.76466631
  O     -2.47546620      2.59418736     -5.53192238
  H      1.27068147     -0.63698520     -5.74098466
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  H      0.26320493      0.35004489     -5.10540528
  H      0.81946733      5.85338488     -1.86730825
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  H      4.32704950      0.91389791     -3.85360455
  H     -0.58149999      5.22541243     -2.04182794
  O      2.74302868     -2.59160689     -0.72175258
  H      5.15042562      0.67189111     -2.57679372
  H      6.01420167      1.48327419     -0.26973484
  O     -1.01184530      1.76051503     -1.59923373
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  H      4.55116434      0.98584488     -0.37309556
  O     -1.23235850      0.47842049     -4.08954791
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  O      2.60473550      2.00361758     -4.23119247
  H     -0.94071028     -0.81754274     -0.07671830
  H      1.56462283      4.94388805     -4.14983589
  O      3.52300495      3.39405632     -1.96663098
  H     -2.09421170     -0.57252544      0.92519166
  H      0.42816005      3.35989771     -6.19577959
  O      0.03626997      5.56651486     -1.38232638
  H     -3.21636829      2.66850174     -6.12700508
  H      0.39363029      1.87142621     -6.60447570
  O      5.24067218      1.50266710     -0.82686853
  H     -1.66815161      2.66392102     -6.07253896
  H      3.28478786     -2.34416390     -2.44116793
  O      1.07100761      4.24946370     -4.60158188
  H      1.91534303      0.86459018     -2.87643676
  H      4.05349792     -1.32693519     -3.37562089
  O     -0.04373168      2.72108531     -6.74574280
  H      2.28717372     -0.61929865     -2.69138999
  H      3.18857190      6.56664146     -2.82575516
  O      3.35124948     -1.99289203     -3.34202154
  H      0.68933356      4.05144596     -0.62569641
  H      2.99113123      5.08262972     -2.44141783
  O      2.54651970      5.86099554     -2.81502083
  H      1.95927943      3.20748204     -0.89963730
  H     -0.07595461     -2.47443741     -4.35579229
  O     -0.83436997     -2.32610423     -3.77912710
  H      1.77906694     -2.54799876     -0.76592314
  H     -1.11342229     -1.41470477     -3.94220006
          69
 Energy    -249.36425709362339     
  O     15.97035718      9.78286817    -16.75660105
  H     15.12271408     10.11644041    -16.44037026
  H     16.95722385      5.40077476    -11.78847962
  O     15.43189279      5.25783373    -12.59831391
  H     15.81666142      9.16109463    -17.48029359
  H     19.57282230      9.75328276    -16.91602958
  O     19.65017721      8.15684020    -14.45542059
  H     14.65562767      5.82131057    -12.50935364
  H     20.90034340      9.31148354    -17.57979728
  O     14.07962280      6.54353472    -16.85695329
  H     15.61771922      5.20753205    -13.54690540
  H     16.41403169      8.32430870    -13.90067160
  O     17.77788923     10.90930276     -9.92409677
  H     18.68294685      8.12652920    -14.54111332
  H     16.58218233      8.67768963    -15.41294383
  O     15.49748146      8.83326985    -12.42002736
  H     19.98928618      8.40364042    -15.32317921
  H     14.21820717     11.10250322    -14.63653563
  O     18.03232804     11.85939295    -13.78791364
  H     14.59634563      6.92017087    -17.57774600
  H     13.10850105     11.49870816    -15.63672037
  O     19.52248904      5.47625828    -13.71867946
  H     14.71386948      6.03654962    -16.33096813
  H     17.77312201      7.31388305    -10.87605070
  O     13.27983546      7.16715329    -12.48696227
  H     18.52791838     11.03284109    -10.51132133
  H     16.80366137      8.44178795    -11.29653350
  O     18.67733799      4.66039730    -16.15780787
  H     17.62897172      9.95244628     -9.94336336
  H     13.20417751      7.55092098    -15.66845267
  O     16.13858517      5.49463359    -15.27767511
  H     15.30324274      9.74979912    -12.64940376
  H     13.06897725      9.00525199    -15.13912543
  O     17.83823804      5.50627464    -11.38551933
  H     14.67263050      8.33218198    -12.37908389
  H     19.58621986      9.33337350    -13.06296089
  O     20.14948316      8.98686645    -17.09067347
  H     18.46886990     11.16377376    -13.26625809
  H     18.73808218      9.31715170    -11.78245391
  O     16.90185923      8.10371195    -14.70504904
  H     18.42006605     12.68931374    -13.51892983
  H     15.08681864     12.66324412     -9.88910026
  O     13.71700741     10.79887217    -15.41218576
  H     19.71337397      6.40764231    -13.89921202
  H     16.28633976     11.81995517    -10.35089918
  O     17.59482898      8.25468195    -10.76699187
  H     18.98833440      5.46118895    -12.91628714
  H     18.48376976      6.16041354    -17.31630774
  O     12.83349238      8.09086429    -14.95342660
  H     12.45453616      7.04875215    -12.02584103
  H     18.98118017      7.59235150    -17.63805155
  O     19.25940871      9.90097238    -12.35050384
  H     13.05884182      7.45261029    -13.39346660
  H     16.20740747     11.62331141    -13.54723965
  O     15.48821549     12.27746116    -10.66302458
  H     19.01956425      4.90208118    -15.27805229
  H     15.23215190     11.85470052    -12.36815410
  O     18.31751348      6.93201872    -17.87087817
  H     19.07236005      3.82329409    -16.38538140
  H     17.55873690     10.64551988    -16.68994226
  O     15.28963399     11.50038240    -13.26870782
  H     16.91688064      5.04777780    -15.62865680
  H     18.37426370     11.33710536    -15.58837722
  O     18.44017210     10.99004417    -16.48521361
  H     16.41676095      6.40599323    -15.09518047
  H     16.75692850      7.43891335    -18.42710822
  O     15.88724983      7.78762185    -18.69634933
  H     17.93473564      4.79751371    -10.75422752
  H     15.86042721      7.75250397    -19.64843151
          69
 Energy    -249.36424691497490     
  O      4.76233894     -7.92409620     -0.47911462
  H      3.98053821     -8.28755135     -0.04024888
  H      3.50459709     -5.61970749      0.15101367
  O      1.64108000     -8.76704649     -3.55346497
  H      4.90455373     -7.06239690     -0.07057649
  H      3.42171352     -6.18363385     -3.36454488
  O     -1.47689514     -7.14884472     -0.65441245
  H      1.23934750     -7.95935272     -3.90534210
  H      2.05281818     -5.71087096     -3.92874772
  O      2.35680641     -2.83278416     -2.46284326
  H      2.57983487     -8.57940357     -3.44441187
  H      0.73472057     -8.00002067      3.75190377
  O      4.31209838     -7.82764178     -3.15982863
  H     -0.83618414     -7.85362728     -0.82946758
  H      0.56899002     -6.93051531      2.64661936
  O     -0.29322684     -2.70867856     -1.95883527
  H     -2.33569168     -7.48440531     -0.94220010
  H     -1.22593599    -10.14776798     -1.90813504
  O      0.50981378     -6.41439300     -4.58163603
  H      2.81255387     -2.76205234     -1.61535439
  H     -2.66078207     -9.74097755     -2.28132156
  O     -0.60509266     -9.98347511     -4.85104481
  H      2.62468127     -3.67646860     -2.85251767
  H     -2.66403375     -7.07017597     -4.83646906
  O      0.27359288     -9.24950105     -1.18327730
  H      4.51289695     -7.89326579     -2.20992223
  H     -2.54457724     -6.06706741     -3.67270119
  O      0.67571491     -3.76033487      0.45543588
  H      5.08338455     -8.14153096     -3.62476550
  H      1.92283080     -8.23513406      1.51411392
  O     -1.13638547     -5.28918948     -2.69709100
  H     -0.67409043     -1.88104065     -2.23916232
  H      2.04056423     -7.59324303      0.11129357
  O      4.27683085     -5.32166278      0.65542132
  H      0.64441530     -2.69775992     -2.22634830
  H     -4.70834149     -8.23453815     -1.77424870
  O      2.78995754     -5.45354024     -3.35578300
  H     -0.07935179     -6.79070271     -5.24651364
  H     -3.62503802     -7.69232087     -2.73660656
  O      1.22107471     -7.48516597      3.11390413
  H     -0.06045233     -6.00281639     -3.91411147
  H      1.39506335     -5.29391135     -0.37974626
  O     -1.97429035    -10.39099872     -2.47017335
  H      0.26971479     -9.79078394     -4.49423491
  H      2.14876321     -5.80804113     -1.64954061
  O     -3.14887596     -6.69506970     -4.09123903
  H     -1.15495984    -10.22098668     -4.08921766
  H     -1.60162902     -7.93034748     -7.03660101
  O      2.20500070     -8.41147051      0.60981397
  H      0.75179011     -9.11477683     -2.01429054
  H     -1.17915978     -8.60869708     -5.71036877
  O     -3.76630651     -8.19449149     -1.91403452
  H      0.93059979     -9.17853923     -0.47994659
  H      4.06980436     -6.24449280      4.04467600
  O      1.94205658     -6.00811985     -0.72830776
  H      1.54135922     -3.33914532      0.52930297
  H      2.77858097     -6.52384511      3.26071086
  O     -1.42787417     -7.75712209     -6.11586698
  H      0.22155946     -3.32667665     -0.27895760
  H      3.86456683     -2.09692587      0.67619966
  O      3.61427877     -6.03427879      3.23280183
  H     -1.19769011     -5.85211914     -1.91199210
  H      3.80914765     -3.61695598      0.40474593
  O      3.35670912     -2.77353206      0.23580806
  H     -0.93018868     -4.38925706     -2.42154940
  H     -0.17852977     -5.12279093      1.41444825
  O     -0.50791479     -5.98107816      1.70991934
  H      4.11014144     -5.55432560      1.58197685
  H     -0.92801376     -6.39021909      0.94094422
          69
 Energy    -249.36410994935432     
  O     12.79504187     13.26305050    -13.99617312
  H     13.35658913     13.65559918    -14.67412720
  H     17.62813869     11.35747191    -15.80227508
  O     17.97230435      6.97264633    -14.63888331
  H     12.47606643     12.43233291    -14.37255692
  H     14.95178642      8.57628204    -17.75241655
  O     19.49141466     11.45979418    -12.77962078
  H     17.44374281      7.27127353    -15.38891270
  H     14.38397970      8.50592382    -19.18881138
  O     16.76071847     14.21323617    -14.39479569
  H     17.37119354      6.47234454    -14.07302983
  H     16.90111947     10.10132433    -12.92874165
  O     16.08176057      5.93849027    -12.70081831
  H     19.17940932     11.77819329    -11.92502088
  H     16.20835968     11.49614315    -12.72170265
  O     16.47816871      9.88683796     -9.84401025
  H     19.25238652     10.52203531    -12.80026377
  H     12.17499803      9.91252009    -15.59225064
  O     13.50746870     13.45263240    -11.39415438
  H     16.05132607     14.18277670    -15.04743372
  H     13.14023384     11.07202952    -15.87466190
  O     12.31717161      8.21273759    -16.28036059
  H     17.50661216     13.72253738    -14.76136371
  H     18.09307057      8.44392311    -11.95245972
  O     17.18595447      7.43618329    -10.61003708
  H     15.93572219      5.05339352    -12.37439802
  H     18.32425093      8.30292778    -13.47660846
  O     16.08862055      8.19545033    -16.42248053
  H     16.40007071      6.46205178    -11.94845264
  H     14.53380352     10.01704631    -13.05088713
  O     14.33750544      7.39120248    -14.40596362
  H     15.57688633     10.21078110     -9.99121767
  H     13.13400752     10.09192648    -13.71498517
  O     16.83207631     10.81482399    -15.82056648
  H     17.07111825     10.63955736     -9.93672171
  H     15.30816922     13.34459068    -11.70218173
  O     14.25133844      8.91409648    -18.33706118
  H     13.20535330     13.38217700    -12.31760487
  H     16.41462303     13.64141941    -12.77523743
  O     16.16118498     10.65985790    -13.20148284
  H     12.96037238     14.11292761    -10.97759278
  H     19.17520018     12.18403771    -14.33360394
  O     12.43500706     10.79026561    -15.27745931
  H     12.90088414      7.74608672    -15.66806757
  H     19.77042739     12.81855528    -15.61069336
  O     18.33834543      8.93577697    -12.74376974
  H     12.84304525      8.36722828    -17.07421997
  H     17.46897792     12.64056640    -10.85683949
  O     13.63399564      9.65350892    -13.01437992
  H     16.85880196      8.30017292    -10.29574710
  H     18.43156572     12.80732945     -9.65776866
  O     16.22876136     13.18241948    -11.94136511
  H     17.68623434      7.06076377     -9.88997060
  H     15.35986321     11.28179005    -16.69070777
  O     18.94966816     12.54496201    -15.21033144
  H     16.44311223      9.07381512    -16.22130328
  H     14.32889913     10.71312755    -17.69190706
  O     18.16125983     12.19419671    -10.33674637
  H     15.47701432      7.95119063    -15.71002537
  H     13.66029176     10.27070963    -11.23807864
  O     14.50906013     11.46748991    -17.11886542
  H     14.84515210      6.81008325    -13.82878746
  H     13.71716451     11.68400361    -10.65053423
  O     13.92113709     10.76393088    -10.44852829
  H     14.04402874      8.13156481    -13.85334868
  H     14.25671176     14.70094364    -16.82864091
  O     14.51260652     14.05262652    -16.17644942
  H     16.52183507     10.77848863    -14.90160277
  H     14.47837432     13.18769727    -16.61674049
          69
 Energy    -249.36409424528540     
  O     11.93947954      5.84971639    -15.34502856
  H     11.67771736      6.74158284    -15.09425976
  H     12.71041670      3.67946945    -12.70619235
  O     11.68699861      8.94184810     -9.46018571
  H     12.88037931      5.88689071    -15.56420450
  H     13.45339105      5.60392222    -11.86240678
  O     17.11739706      6.33138713    -11.73635710
  H     11.73527141      8.08468131     -8.99481425
  H     12.42758663      6.76869812    -11.71069678
  O     12.90365891      3.28193775     -9.58248505
  H     11.25480690      9.54990939     -8.86667741
  H     12.41270613      8.57528134    -14.23997377
  O     14.43671136      8.56448460    -10.19149596
  H     16.81979859      7.22376851    -11.96145253
  H     11.23795981      9.32918466    -14.90832263
  O     17.25491505      6.95722515    -16.53360804
  H     18.02220256      6.25403484    -12.06422896
  H     19.16236020      5.59453240    -13.80773825
  O     15.79541519      4.59039339    -13.49146075
  H     11.98689870      3.51756136     -9.39346171
  H     20.44413876      5.91071434    -12.99681642
  O     10.28457763      4.30044434     -9.08225106
  H     13.43632931      3.80773733     -8.97226851
  H     14.38416943      7.48765290    -14.61662445
  O     18.15136213      8.37563827    -14.38156060
  H     13.61313497      8.93192411     -9.85544795
  H     13.86272696      7.54632007    -13.16383361
  O     14.24627847      5.05177659     -7.80954778
  H     14.16086432      7.78154431    -10.69643745
  H     16.51535967      6.32750083     -9.94967832
  O     11.84940420      6.52641495     -8.27890283
  H     17.62151029      7.32383724    -17.33374620
  H     15.57658961      7.36167365     -9.30993706
  O     13.51111624      3.80221078    -12.18208925
  H     17.55260341      7.52746523    -15.80233237
  H     15.50374229      8.77856161    -13.02020508
  O     13.36877294      6.56065614    -11.77457313
  H     16.20578029      5.17428155    -12.83785665
  H     15.73539773      9.05129173    -11.52925513
  O     11.44569901      8.58816895    -14.34473587
  H     15.05245808      4.15710317    -13.04991994
  H     17.37841062      4.46532240    -14.50858202
  O     19.54797668      6.19773010    -13.14672430
  H     10.04875049      4.52470502    -10.00056963
  H     17.92173366      5.35659685    -15.64091826
  O     14.09361210      8.10048165    -13.92776883
  H      9.52015215      3.88188535     -8.69654200
  H     10.88858537      8.06828168    -12.62196452
  O     16.06434154      6.54782602     -9.12500208
  H     17.58032550      8.74051651    -13.69457504
  H     10.99386104      8.20920149    -11.05871986
  O     16.20220781      8.93537781    -12.36673198
  H     18.74539521      7.75870838    -13.93492241
  H     15.08365753      5.48194178    -14.89805659
  O     18.18992131      4.71311578    -14.97368538
  H     14.94329282      5.54347483     -8.27822939
  H     15.55246353      6.34341981    -16.09672518
  O     10.76601083      7.60936255    -11.78112542
  H     14.60648125      4.81468221     -6.95903896
  H     11.42387342      4.50859212    -14.36862315
  O     14.76686998      6.04364718    -15.62258179
  H     11.24117980      5.81319676     -8.50981172
  H     10.84054423      3.07703495    -14.31939559
  O     11.18082512      3.77929019    -13.77107740
  H     12.68767745      6.09518697     -8.07275326
  H     10.18508064      4.56370402    -12.37115290
  O      9.76992696      5.01296812    -11.62555504
  H     13.32586477      3.51771683    -11.27382444
  H      9.99487895      5.95010241    -11.70815922
          69
 Ord_Energy   -249.364090    
 O   -1.01328838       2.89352012     -0.244686440    
 H  -0.553607404       3.64078903     -0.646814883    
 H  -0.858278096       2.14337349     -0.833180487    
 O   -1.63893199       5.38824177      -5.51114321    
 H   -2.24173379       4.77846384      -5.97196817    
 H   -1.50477564       6.13050079      -6.09459257    
 O   -4.81985140       4.72924471      -1.36092436    
 H   -4.46066475       4.25825930     -0.599874079    
 H   -4.05441332       5.02931452      -1.86906528    
 O   -7.06532145       1.21828938      -1.84046817    
 H   -6.17116737       1.21550167      -1.47151029    
 H   -7.18870926       2.10851288      -2.18902159    
 O   -4.34621286       1.22505045      -1.14553463    
 H   -4.11691999       1.75829470     -0.375221282    
 H   -3.99058700       1.70180130      -1.90839279    
 O   -4.23450279      -1.24799192      -2.39990520    
 H   -4.22525454     -0.437942833      -1.86974168    
 H   -5.16011715      -1.40228391      -2.62451339    
 O   -3.20351171      -1.15041041      -5.04620600    
 H   -2.45539904      -1.75821686      -5.05458307    
 H   -3.52294779      -1.13966787      -4.13203764    
 O   -6.96787930      -1.14660037      -3.14720917    
 H   -7.75854158      -1.66478717      -3.02685857    
 H   -7.10632467     -0.305280864      -2.67464805    
 O  -0.888773382      0.992212534      -2.31779456    
 H  -0.258298129       1.09279907      -3.04390240    
 H   -1.70042884       1.41889477      -2.62011504    
 O   -3.53080177       3.15901017      0.689504981    
 H   -3.52479625       3.24011517       1.63915741    
 H   -2.60057855       3.08741808      0.406847090    
 O    1.40241015      -1.22712719      -5.11616468    
 H    2.16812778      -1.78789616      -5.01683712    
 H   0.632500768      -1.79730868      -4.97374392    
 O   -3.30362296       3.59542251      -6.65923882    
 H   -4.13223505       3.43615556      -6.18728018    
 H   -2.82654405       2.75591564      -6.61742353    
 O   -1.48226285      -1.76479709      -2.11705065    
 H   -2.44686151      -1.74424958      -2.06394482    
 H   -1.20004117     -0.840338528      -2.08370376    
 O   -2.03952980       1.29788101      -5.66949129    
 H   -2.41924024      0.413192868      -5.58328724    
 H   -2.35606718       1.78356743      -4.89496660    
 O   -3.12241054       2.47731876      -3.33455491    
 H   -3.92072606       2.56009841      -3.87998581    
 H   -2.84027863       3.37244201      -3.10353494    
 O   -2.46402597       5.14596653      -2.84246707    
 H   -1.63382626       5.19805288      -2.35137725    
 H   -2.25249004       5.35151052      -3.76320267    
 O   0.551092207       1.36607409      -4.70261335    
 H   0.985760510      0.518960655      -4.86924076    
 H  -0.290971965       1.33606851      -5.18075132    
 O  -0.886085153      -2.77639890      -4.54485273    
 H   -1.04245591      -2.46693945      -3.63291478    
 H  -0.964889526      -3.72683525      -4.53041172    
 O   -6.92825937       3.87500000      -2.85142875    
 H   -7.58810759       4.56284428      -2.87640023    
 H   -6.20225191       4.20466757      -2.29159689    
 O   -5.75715542      0.113379627      -5.40047121    
 H   -4.92803383     -0.370174289      -5.49765205    
 H   -6.25660515     -0.357224643      -4.72146940    
 O   0.109356441       5.03277636      -1.70129466    
 H   0.763687074       5.68030930      -1.45475304    
 H   0.376137733       4.67802715      -2.56980443    
 O   -5.33894825       2.76939034      -4.90412426    
 H   -5.99472046       3.14093709      -4.30319262    
 H   -5.58430338       1.85461056      -5.11585617    
 O   0.596075237       4.11225128      -4.18120289    
 H   0.692480862       3.17710900      -4.40651608    
 H   -8.48402008E-02   4.47747564      -4.75814629    
          69
 Energy    -249.36379811322192     
  O     13.01331386      9.31217796    -11.28572764
  H     13.57973537      9.57352207    -10.54818474
  H     10.48406234     12.87978731    -10.85714115
  O     11.10208634      6.24401916    -12.65990033
  H     13.39323159      8.52291352    -11.69050630
  H     11.43236767      7.75495412     -8.76194665
  O     12.63244716     11.58312020    -12.73159050
  H     10.61625017      5.51960907    -13.04326691
  H     11.53327741      8.67679700     -7.53156514
  O     14.42820607     10.19593081     -9.07944495
  H     11.03019468      6.99412458    -13.28162033
  H     10.61969491     10.74040134     -6.24205654
  O     15.86554420      7.41433473    -10.63891516
  H     13.49892567     12.00240036    -12.78410637
  H     11.48619573     11.09290661     -7.47097595
  O     13.52379231     14.84122895    -11.12615740
  H     12.76009346     10.72980653    -12.28819180
  H     13.57756918      7.60424430     -7.98614379
  O      9.21831781     10.07877868     -9.42900980
  H     13.73956266     10.76540344     -8.71300718
  H     14.88406164      7.16778622     -7.28151551
  O     15.10147683     12.86319738    -12.50421297
  H     14.49198451      9.38289814     -8.56387094
  H     15.68231096     11.16114097     -9.84079655
  O     14.84381301     13.67948694     -8.84839756
  H     15.43291151      7.39486987     -9.77806251
  H     16.91301790     11.01793359    -10.73699207
  O     10.73684331      7.98153471    -10.46397183
  H     15.22125328      7.08785724    -11.28186336
  H     12.02684678      8.59641525    -14.52429802
  O     15.76562882     10.37352372    -13.76286457
  H     12.71278887     14.32507466    -10.98663728
  H     10.66627761      9.19520128    -14.07204639
  O     11.42889584     13.05203874    -10.76419052
  H     13.24873760     15.73205449    -11.32904403
  H      9.55558059     11.19683899    -12.83484515
  O     11.87582262      7.85793281     -7.90885279
  H      9.61548183      9.29350619     -9.83106457
  H     10.97160311     11.19154188    -13.42033053
  O     10.88460707     10.42462009     -7.10260600
  H      9.67485447     10.20657874     -8.59037914
  H      8.92486138     11.34822797    -10.55497657
  O     14.54950464      7.60760243     -8.05837901
  H     15.56039325     12.48114884    -11.74025541
  H      7.93342857     12.35025737    -11.19223652
  O     16.35283809     11.67939601    -10.31405586
  H     14.66704315     13.65964190    -12.17822144
  H     14.23975543      8.44652095    -15.69510093
  O     11.12017065      8.36847384    -14.29132408
  H     15.53675310     13.13294710     -9.23847163
  H     14.58180864      9.27941224    -14.44366212
  O     10.08249511     10.83194283    -13.55268144
  H     14.49152965     14.20940490     -9.57476716
  H     18.29872865      9.06376567    -11.75693005
  O      8.84710541     12.07876098    -11.19558257
  H     11.46711157      8.55473305    -10.74410405
  H     16.88486138      8.69566386    -11.25502129
  O     13.97874827      8.59885769    -14.79008624
  H     10.69388835      7.28161251    -11.12432821
  H     12.97660332      6.54188008    -12.53376571
  O     17.41852933      9.41236083    -11.64186414
  H     15.60617475     11.29288608    -13.52069910
  H     13.96107294      7.39318538    -13.38171914
  O     13.85851504      6.93557862    -12.53498913
  H     16.36350787     10.02172521    -13.09119466
  H     13.37040633     12.73183251     -8.34216023
  O     12.58271708     12.16833479     -8.36709834
  H     11.85918236     12.51893165    -11.45140347
  H     12.09951755     12.42447776     -9.16530665
          69
 Energy    -249.36356798100059     
  O     12.45163169     10.01939161    -11.35486073
  H     12.15087754     10.85520639    -11.73176150
  H     13.29328237     15.45051893     -9.12896723
  O     11.89465043     12.37996222    -12.76455746
  H     12.74410801      9.48705497    -12.10559864
  H     11.28077699     13.32489615     -9.74859505
  O     13.64481417     10.63092835     -8.95041634
  H     11.52180204     12.89983125    -12.04039593
  H      9.96285193     13.19012379    -10.55328360
  O     14.61820499      7.08727135    -10.48031833
  H     12.85374661     12.50922836    -12.76790084
  H     10.10501948      7.87839575     -7.23899707
  O     14.81584124     15.18178767    -11.96314832
  H     13.23852504     10.40022737     -9.79944247
  H     10.38361064      9.19361345     -8.00128814
  O      8.97657695      9.98438645    -12.22155563
  H     13.68885410      9.80661245     -8.44718547
  H     10.66034266     11.55919859     -8.04697936
  O     14.65795436     12.55974801    -12.66182980
  H     13.86519950      6.88167708    -11.06049416
  H      9.43550103     11.21190815     -8.91251955
  O     16.21544591     14.26775496     -9.63719817
  H     15.11059934      6.27537642    -10.37888085
  H     13.80733268      7.68001255     -8.82225272
  O     10.48632700      8.14200348    -10.76151705
  H     13.97529963     15.51774350    -11.62816727
  H     12.51987310      8.01285434     -8.01260624
  O     12.32903886     15.94647344    -10.75045752
  H     15.36455796     15.01579138    -11.18492742
  H     15.08932306     11.35007352     -9.68423966
  O     16.18021204      9.25376652    -11.58061878
  H      9.48469400     10.09233457    -13.03252952
  H     16.12296375     10.81666286    -10.69280291
  O     13.71886720     14.97112257     -8.40811763
  H      9.36541476      9.23289892    -11.75199550
  H     13.68942188      9.27840698    -14.10415028
  O     10.82122939     13.63240101    -10.54581761
  H     14.74215613     13.52209430    -12.58854816
  H     12.13405435      9.32918947    -14.19483266
  O     10.59277651      8.24235642     -7.97319150
  H     15.00316341     12.19638298    -11.83435179
  H     11.11449582     11.30528661    -13.92544981
  O      9.98323262     10.88487183     -8.19054472
  H     17.09190772     14.42280640     -9.29393568
  H     10.41513359     10.95884955    -15.26267561
  O     13.48268785      8.08458490     -8.00760732
  H     16.15769089     13.31708415     -9.83189908
  H      7.62103096     12.15287139    -10.39499955
  O     15.80489242     11.62971563    -10.27425904
  H     11.15330302      8.83402707    -10.89289131
  H      8.67816839     11.28462188    -11.11544115
  O     12.87909412      8.80554625    -13.87235156
  H     10.41387431      8.03111590     -9.80555540
  H     15.03901625     11.15767700    -13.70910188
  O     10.73530057     10.57737350    -14.44893431
  H     11.71400539     15.19585166    -10.72126155
  H     15.87219504     10.47955381    -14.81913008
  O      8.55947886     11.99675239    -10.46204465
  H     11.79512990     16.73391816    -10.82506244
  H     12.60873431      7.24721381    -12.87671582
  O     15.21469367     10.30903922    -14.14891888
  H     15.64560002      8.53357839    -11.22242790
  H     11.68335169      6.98158616    -11.67027847
  O     12.48334153      6.66790312    -12.11263089
  H     15.88486963      9.40314350    -12.48470032
  H     12.67413289     12.00985687     -8.43049310
  O     12.08454405     12.76050465     -8.26223530
  H     14.60315489     14.75208313     -8.72701844
  H     12.64708330     13.53801229     -8.13995449
          69
 Energy    -249.36319126135598     
  O     13.25993044      3.70694147    -13.26673289
  H     14.20564794      3.78419491    -13.08429262
  H     16.46332724     10.61646497    -13.49064755
  O     18.08906819     10.17594661    -12.86500334
  H     12.81851547      4.04483069    -12.47804250
  H     14.86339377      8.29878821    -10.70845451
  O     17.65811179      7.92103252     -9.83686206
  H     18.21537260     10.43536993    -11.94423151
  H     14.44338828      8.89457572     -9.34236324
  O     13.59098383     10.48577245     -8.99561333
  H     18.37083115      9.25555756    -12.91189584
  H     14.91552928      9.31944497    -12.78277567
  O     13.52449657      9.75841316    -15.33032563
  H     16.70708380      8.08273547     -9.74709994
  H     15.23281586      7.81514655    -12.95505117
  O     18.67119523      4.59141967    -11.96265314
  H     17.79901309      7.01133377     -9.54018001
  H     12.31345053      6.46810948    -14.10390508
  O     14.48773645      7.17660551    -16.19260503
  H     13.00968601     10.76287459     -8.29267981
  H     12.78999675      5.04085356    -14.42367398
  O     14.81822705      5.41057688    -10.10537764
  H     13.14828528     10.71503655     -9.83331394
  H     15.97998361      5.87073069    -13.62915679
  O     12.54775945     11.24210353    -11.37907589
  H     13.85203885      8.92509955    -15.68678934
  H     15.68745007      6.84314471    -14.83252858
  O     15.85830026     12.01187029     -9.89979098
  H     14.27857427     10.17951901    -14.89357372
  H     18.15820778      9.61178664     -9.88196246
  O     14.68949586     12.96304277    -12.13668464
  H     19.48150500      4.18681118    -12.26141654
  H     19.10907144     10.78573435     -9.55593153
  O     15.52902010     10.78417850    -13.68460000
  H     18.72491114      5.53303763    -12.19641042
  H     18.10147499      7.55057091    -11.62806547
  O     14.93484034      8.17168162     -9.74778257
  H     14.51043671      6.91971783    -17.11028253
  H     17.66303665      7.17085324    -13.08568964
  O     14.73047702      8.44384844    -12.41996932
  H     13.76103316      6.67697078    -15.77452240
  H     18.02634691      4.84370510    -10.14289752
  O     12.57790191      5.89279641    -14.83123900
  H     14.84447800      6.35200819     -9.88221807
  H     16.66264284      5.09986427     -9.46820411
  O     16.17887817      6.73915140    -14.00833572
  H     13.89182036      5.21622944    -10.29546911
  H     10.64191331     10.29170053    -14.15183897
  O     18.30598642     10.56279586    -10.02050464
  H     12.12482635     10.82472474    -12.13788838
  H     12.12879683      9.89370299    -14.30018617
  O     18.42892967      7.30678593    -12.50601264
  H     13.16589298     11.89598125    -11.72960930
  H     16.83427134      4.29825901    -12.36623600
  O     17.61469318      5.21316304     -9.35212811
  H     16.68710516     11.51813446     -9.88994003
  H     15.54007076      4.78320646    -11.66424021
  O     11.39174077      9.95971801    -13.66566966
  H     15.19290386     11.46614913     -9.46371823
  H     12.06847822      6.02010234    -11.51087835
  O     15.88962133      4.43962386    -12.50025875
  H     15.16159773     12.69614660    -11.32630666
  H     11.31009613      5.02117391    -10.60872984
  O     12.15372818      5.18335112    -11.02369796
  H     14.78571590     13.90773857    -12.21670111
  H     13.05016497      7.80910902    -12.45654282
  O     12.12917342      7.51249118    -12.51498399
  H     15.27754767     11.59772780    -13.23087592
  H     11.64631511      8.27861263    -12.84632235
          69
 Energy    -249.36244712258627     
  O     -1.83893328     11.87906505      8.60449045
  H     -2.08360643     10.95163414      8.72193337
  H     -0.78363122     11.47697736      2.51427126
  O     -5.69800392      8.75958448      5.07169450
  H     -2.66691242     12.37049273      8.55430118
  H     -0.96861745     12.03642485      7.06651807
  O     -1.55533777     14.38700562      4.90792818
  H     -6.17735972      9.33708736      4.46386945
  H     -0.10745778     11.42641014      5.89109881
  O     -4.72625666     10.45557268      7.21045847
  H     -5.59123014      9.25950624      5.88980190
  H     -4.63819768     13.97332914      5.10829602
  O     -6.82213816     10.66379306      3.28171135
  H     -1.13255029     13.66518667      5.39486332
  H     -4.30592050     14.16464962      6.60802561
  O     -1.28887643      8.39866992      6.41159118
  H     -2.47027037     14.45058134      5.21524967
  H      1.58431329      9.76853022      4.87964737
  O     -4.81428219     10.44270355      1.20123090
  H     -4.18098472     10.70495006      6.44729995
  H      0.25693543     10.14640594      4.17950363
  O     -4.00409360     13.10523306      1.43179080
  H     -4.15066363      9.91854852      7.77180614
  H     -1.45798251     13.57215664      3.24414291
  O     -2.66367536      9.15013581      8.60682432
  H     -7.71302262     10.97398466      3.13878343
  H     -1.13310496     14.03591707      1.81345941
  O     -3.07778074      8.43585948      4.30920568
  H     -6.30125870     11.43166100      3.57180783
  H     -0.52768664     17.37778610      4.44504889
  O     -2.62153814      8.92223789      1.58586270
  H     -0.53673419      8.85807170      6.02169764
  H     -1.13060013     15.96008607      4.29244556
  O     -0.55236309     10.55893043      2.70567226
  H     -1.90901432      8.25378878      5.68181268
  H     -0.45199319     16.34850088      0.65563345
  O     -0.69386961     12.14886211      6.14375655
  H     -5.55837158     10.39661611      1.81126152
  H     -0.97856210     16.29577837      2.10729563
  O     -4.20748572     14.57025588      5.73897147
  H     -4.57891842     11.37926487      1.13440582
  H     -5.08676091     13.25466399      8.85520310
  O      0.66814217      9.97193685      5.04636248
  H     -3.07927380     13.02903261      1.70307865
  H     -4.70453291     12.14635585      7.84986721
  O     -1.35094870     13.25457728      2.33657199
  H     -4.14505539     14.04497383      1.24496228
  H     -4.11279402     16.18827621      2.10764809
  O     -1.03039788     16.82407185      3.85344018
  H     -2.14024733      8.84980153      7.84098286
  H     -3.01864726     15.92243378      1.06281402
  O     -1.03283027     15.86549943      1.23856232
  H     -2.60141643      8.46480115      9.26616952
  H     -3.03359273     16.94704321      3.92659682
  O     -4.48364936     13.04540795      8.14529808
  H     -4.02747302      8.41098483      4.50300338
  H     -4.15777788     16.13176613      4.58876005
  O     -3.96411301     15.82625658      1.22180016
  H     -2.95666908      8.46419742      3.35299956
  H     -2.97616306     10.23328587      4.73059386
  O     -3.97635915     16.75524072      3.87461868
  H     -3.41700666      9.45590354      1.40913060
  H     -2.26154920     11.45520893      5.39716394
  O     -3.10635556     11.13056977      5.06535419
  H     -2.51563801      8.33452902      0.84261824
  H     -4.35570004     12.10371316      4.31445671
  O     -5.05615897     12.66185039      3.93893078
  H     -1.21584557     10.00971885      2.27215056
  H     -4.76500338     12.90683555      3.04891881
          69
 Energy    -249.36152694885334     
  O     14.82285865      9.03476080     -9.46047694
  H     15.31681288      9.85386660     -9.65569209
  H     13.10492069      6.58984987    -16.69224539
  O     15.47359534      5.26530140    -12.93313579
  H     14.42327398      9.15021389     -8.60296308
  H     18.82126234      6.03912891    -16.84624508
  O     15.73050713     12.22537998    -12.60933842
  H     16.26034577      5.16890275    -12.38312015
  H     18.51889629      6.39854573    -15.37294749
  O     17.47605789     11.57283867    -14.85252168
  H     15.67393761      4.86938034    -13.79610060
  H     14.60065291     10.66448757    -15.22090504
  O     10.85668507      7.84058688    -14.83184939
  H     16.38269858     12.11100575    -13.30829524
  H     15.42742787      9.70696415    -16.15547339
  O     17.25004605      7.59819786     -9.99552120
  H     14.89662261     11.90440704    -12.97702428
  H     15.87925902      7.02935751    -13.24523383
  O     12.96077995      6.48798067    -13.42031242
  H     17.89364590     12.25514761    -15.37250680
  H     15.95910318      8.03626881    -14.41914476
  O     13.52278273     10.88237209    -13.76591804
  H     16.68796686     11.29204653    -15.34701996
  H     17.65915045      6.21780568    -10.94255771
  O     12.59129009     10.11120060    -17.25131106
  H     11.04774151      7.61377055    -15.75078656
  H     18.34224156      4.83014111    -10.97414491
  O     15.94183819      4.49399834    -15.52537212
  H     11.43277804      7.28710224    -14.29089114
  H     17.48002742      8.91769481    -13.18373600
  O     15.92682717      8.00064710    -16.23477101
  H     17.84521293      8.35306857    -10.08509314
  H     18.14760893     10.17155293    -13.80012540
  O     13.80059048      6.26201932    -16.10890646
  H     16.38580994      7.96613283     -9.77817471
  H     19.03281999      7.69769008    -13.60110763
  O     18.11184451      6.24820368    -16.24453050
  H     13.67093636      5.89122182    -13.14828246
  H     18.77604971      6.28663229    -13.02727425
  O     15.15937281     10.62789194    -16.01283101
  H     13.10555342      7.29545973    -12.90578591
  H     18.71965666      9.76201951    -11.53061599
  O     16.00482737      7.96438791    -13.45685494
  H     13.55652521     10.16857660    -13.11222058
  H     19.75312274     10.11728745    -10.43489165
  O     17.89907080      5.47231382    -11.52259956
  H     12.61969320     10.90138768    -14.10372350
  H     12.09754744      8.45363701    -17.52131579
  O     18.30852715      9.42286295    -13.21339012
  H     13.48386202     10.38236065    -17.00859312
  H     11.31885688      7.41232450    -18.36263376
  O     19.14630309      6.75636803    -13.78487397
  H     12.01738706     10.40543388    -16.53180659
  H     17.23035062     10.86534330    -10.20460871
  O     18.83917921      9.88365654    -10.57294258
  H     15.17106198      4.95240637    -15.88702908
  H     16.09692500     11.59890063    -10.96098977
  O     11.77936089      7.53307966    -17.53694384
  H     16.71346091      4.98361140    -15.83516304
  H     10.13455287     10.94296095    -14.77486465
  O     16.31616937     11.16015754    -10.12533754
  H     15.16840307      7.39930876    -16.27964538
  H     10.89333386      9.59395827    -14.81204579
  O     10.99352305     10.55667887    -14.92169624
  H     16.72387254      7.46879790    -16.35535021
  H     14.03756343      8.83469176    -11.11203307
  O     13.81532977      8.76004532    -12.04770176
  H     13.47758639      6.35410306    -15.20137699
  H     14.64270410      8.55007199    -12.51130227
          69
 Energy    -249.36070142769839     
  O     11.35349437     11.81063824    -12.11532666
  H     11.89664583     11.88059184    -11.31005830
  H     13.90432967      7.90178647    -14.07116445
  O     17.62712984     11.88569046    -13.04627490
  H     10.52076078     12.23265793    -11.92051587
  H     14.45599010     11.11129689    -13.16860482
  O     13.95530186      9.20014558    -10.44307786
  H     16.76538365     11.45056655    -12.99535700
  H     15.31673196      9.81347853    -13.01592068
  O     17.75565960      7.71752610    -11.79892143
  H     17.47068380     12.81261909    -12.82997513
  H     12.06199434      9.80846206    -16.74998341
  O     16.32778626      8.06055784     -9.38114849
  H     14.34084559      9.67744198    -11.18996804
  H     12.82407476      9.20533308    -15.54302598
  O     19.05607895      6.95409231    -14.15950965
  H     14.67942169      8.71551321    -10.03110284
  H     18.16446395     10.47484807    -10.06373916
  O     13.22373149     11.91978410    -14.18641477
  H     18.25910217      8.54405092    -11.73616936
  H     16.89865036     11.29371148     -9.68856301
  O     17.38618073      8.59603104    -15.79148095
  H     17.28023670      7.63149635    -10.96399332
  H     20.18767629      8.56281831    -14.13929196
  O     19.17807115     10.10656782    -11.65100932
  H     16.42152120      7.65322122     -8.52400528
  H     20.08970913     10.02477549    -14.61095716
  O     15.44815362     10.24073969    -17.10737525
  H     16.71671689      8.95295710     -9.31442244
  H     14.49713798     13.22093127    -14.57630782
  O     16.70893591     12.61554738    -16.89547939
  H     18.62828144      7.08701699    -13.29843845
  H     15.77314035     13.42477894    -15.43134320
  O     12.98990339      7.99883603    -14.36258162
  H     19.37631202      6.05506887    -14.16884491
  H     16.88571453     15.32433610    -12.42907983
  O     15.12649059     10.67802924    -12.62221542
  H     12.49578991     11.93970044    -13.55045997
  H     16.08632981     14.27205626    -13.23870034
  O     12.78734361      9.96653838    -16.15205344
  H     12.99581286     11.29813582    -14.89041204
  H     13.20852783     10.86082358     -9.86443725
  O     17.42739576     10.52523925     -9.44151141
  H     17.97934443      7.92983319    -15.42374687
  H     13.82952636     12.25796993     -9.95932901
  O     20.53549128      9.44794137    -13.97814878
  H     17.84931200      9.44396654    -15.71248241
  H     18.35491923     11.37407195    -14.59847937
  O     15.27754694     13.78043160    -14.68386034
  H     19.84404328      9.87828587    -12.31470900
  H     18.16401878     11.64087773    -16.09120763
  O     16.60382867     14.41413398    -12.42396784
  H     18.64738254     10.80254699    -12.06635025
  H     12.37380307      8.85277329    -11.41762771
  O     12.98130555     11.79790170     -9.93507506
  H     14.54342740     10.08405348    -16.81138821
  H     11.44682596      9.84445021    -12.13786226
  O     18.63745223     11.07024699    -15.47441542
  H     15.99219532      9.51413368    -16.78124926
  H     15.44245573     11.86154355    -11.19003068
  O     11.69244224      8.91344070    -12.10055453
  H     16.21225864     11.78590736    -17.01991099
  H     15.95490691     13.29712987    -11.00525020
  O     15.65179535     12.52323134    -10.51500965
  H     16.75077205     13.03906039    -17.74915599
  H     16.21772024      8.35514193    -14.44440858
  O     15.71418639      8.23182982    -13.62738013
  H     12.47056384      8.23251591    -13.57846848
  H     16.34725971      7.95397173    -12.95311310
          69
 Energy    -249.36064799971297     
  O     12.60149933     11.83006959    -14.08469811
  H     13.40603678     12.30530947    -13.85286801
  H     15.51367334      7.04082366    -15.92264573
  O     15.58708778      6.89539142    -14.10965899
  H     12.76655731     11.41682034    -14.94511652
  H     20.32524144      7.31502408    -14.34895019
  O     17.46894173      9.51614453    -10.88457756
  H     16.34312432      6.92209679    -13.50929276
  H     18.99226017      7.81049108    -14.95419329
  O     17.13075492     11.51942489    -14.57747741
  H     14.81522000      6.70945186    -13.55806903
  H     14.47473825      9.81249974    -14.95759124
  O     12.53307186      7.59760024    -16.73883127
  H     17.43154531      9.39297533     -9.92549662
  H     15.32774895      8.67786237    -14.30857291
  O     14.76861194      7.59804046     -8.90283473
  H     16.65643966      9.97251659    -11.14199859
  H     11.74065505     10.62162098    -13.15436471
  O     13.59896416      6.49693504    -12.20538055
  H     17.86851355     11.21452076    -14.02612635
  H     10.37692092     10.22794882    -12.54526489
  O     15.11369931     10.68736139    -11.78843811
  H     16.46778519     10.81137138    -14.56004562
  H     12.32434916      6.98770154    -13.49675713
  O     17.98767540     10.91642139    -17.11710829
  H     11.84599384      7.21953965    -17.28123775
  H     11.56663249      8.31543280    -13.69739475
  O     15.78816815      5.55688769    -10.67851819
  H     12.24967786      7.49224259    -15.81250428
  H     19.30931128      9.49290904    -13.41940443
  O     18.12520385      8.14892352    -16.41711867
  H     15.08652988      6.85305655     -9.42699010
  H     18.62354213     10.13435145    -12.20050103
  O     15.38772319      7.32956702    -16.83900347
  H     14.11683435      8.05371756     -9.45007307
  H     17.53051656      7.90777358    -11.67629258
  O     19.47497199      7.68010683    -14.11837025
  H     13.45787327      7.33394974    -11.73744057
  H     18.31759876      7.15622470    -12.77938682
  O     15.15897715      9.62706322    -14.30304253
  H     14.22552202      5.99572650    -11.66972707
  H     16.19216618      8.52545612     -8.37766735
  O     11.26318991      9.90845128    -12.69494526
  H     15.09508763     11.62474119    -12.00580830
  H     17.03519556      9.24350891     -7.30833504
  O     11.81481749      7.49502553    -14.14091263
  H     15.06696439     10.23633457    -12.64785313
  H     15.48719952      9.07326527    -17.65976406
  O     19.05283465     10.34237757    -13.04250176
  H     18.62550282     11.53566093    -17.46195540
  H     16.29554300     10.37932875    -17.79563140
  O     17.58469158      7.06741263    -12.15659484
  H     17.72248105     11.24179576    -16.24068211
  H     12.41944715      9.24070414    -11.37003990
  O     17.01615422      9.02180618     -8.23487915
  H     16.48931474      6.02131671    -11.16461832
  H     13.88763799      9.57370686    -11.06983476
  O     15.42541717      9.99369638    -17.94868032
  H     16.15459612      4.72038139    -10.40239298
  H     15.90097710     12.65371886    -13.80658786
  O     13.19289867      8.92435904    -10.88683557
  H     18.14632150      9.06473175    -16.72133777
  H     15.36692657     14.00149232    -13.27820150
  O     15.16281266     13.07120142    -13.33338079
  H     17.26728120      7.79542157    -16.67818258
  H     14.00194457     10.37603842    -16.94836627
  O     13.28618321     10.29073222    -16.29932570
  H     14.42921227      7.33687269    -16.95644602
  H     12.87078675      9.43902507    -16.48139427
          69
 Energy    -249.36037670001508     
  O     16.30167701      7.75575952    -14.95570063
  H     16.03818492      6.90111296    -15.28638141
  H     14.63130940     10.19200734    -13.64611443
  O     14.90306137     11.68674134    -14.70148740
  H     16.44341226      8.32614441    -15.73296394
  H     17.48898176      9.99531106    -17.00486551
  O     21.36732276     10.86811732    -11.44303966
  H     14.96514266     12.64545590    -14.61224381
  H     15.98254368     10.01000847    -17.30455883
  O     20.89405712     13.23778507    -12.95720920
  H     14.75659844     11.50590999    -15.63936271
  H     16.69526514     11.28414931    -10.18463634
  O     15.51619170      9.81416023    -10.56083893
  H     21.34998178     11.74704962    -11.84033061
  H     18.15654581     11.41951199     -9.71728974
  O     19.65618294     10.28991649     -9.42172493
  H     21.36851457     10.24656981    -12.18102039
  H     20.34930087     11.49355618    -15.76988467
  O     18.50965533      8.55956964    -13.43230307
  H     19.97506708     13.17886704    -12.65248649
  H     21.29645925     10.77990892    -14.79159769
  O     14.67454275     11.34998802    -17.49904726
  H     20.97036244     12.69653483    -13.75747732
  H     18.59522609      8.98282738    -10.26181788
  O     18.45464639     14.09739512    -16.90854450
  H     15.22492937      9.66614008    -11.47729837
  H     17.11030543      8.82486207    -10.63808424
  O     20.69357928     15.72495068    -14.10011960
  H     14.76980746      9.60803843    -10.00375261
  H     15.44843935     14.18672673    -16.63337527
  O     18.69319424     11.34385041    -16.52066345
  H     20.29608878     10.50976468    -10.12160569
  H     16.69133535     13.96258723    -17.50449544
  O     14.76933088      9.38176371    -13.13730645
  H     20.15361687     10.21236419     -8.61206469
  H     17.96911571     14.39323320    -13.51083809
  O     16.70668128      9.42888719    -17.04158366
  H     18.32765359      8.43938442    -12.48592167
  H     18.78089665     15.47765974    -14.24451509
  O     17.38945679     11.93061461    -10.00631924
  H     17.80802783      8.13170955    -13.93752069
  H     21.14724627     14.83018890    -15.77827405
  O     21.14237726     11.62532556    -15.23033089
  H     15.07250264     12.23308636    -17.60395895
  H     21.39584409     13.35995212    -16.16597678
  O     17.98560225      8.44164977    -10.77960211
  H     13.92447835     11.31547050    -18.08654505
  H     21.65176485      8.39551847    -13.91071770
  O     15.73282601     13.83655685    -17.48637497
  H     18.23336401     14.38235238    -16.01227398
  H     20.22338947      8.93918202    -13.68493216
  O     17.92915170     15.02560101    -14.24650990
  H     19.41420480     14.20143111    -16.98313939
  H     16.63309323     11.16135806    -14.21499750
  O     21.18706181     14.22832235    -16.53191429
  H     21.23047824     16.39848261    -13.69040855
  H     17.81826802     10.23023805    -13.74703739
  O     21.15805061      9.19734953    -13.75653749
  H     20.85854414     14.89965841    -13.61171136
  H     14.70095692     15.19427667    -14.33399005
  O     17.57992368     11.12273544    -14.02852904
  H     18.56704856     12.26002880    -16.80025779
  H     16.17420090     14.78893672    -14.54283208
  O     15.25773194     14.53012145    -14.73384804
  H     18.30699529     11.28026656    -15.63235205
  H     17.91302672     12.83678744    -11.44462722
  O     18.21521516     13.11617768    -12.31917418
  H     15.22094005      8.76715305    -13.72753893
  H     18.00833445     12.38688748    -12.92430699
          69
 Energy    -249.36008904703866     
  O     14.78660163     12.10183339    -12.29018450
  H     15.59210301     11.58074955    -12.17938268
  H     13.09226801      4.63139161    -15.18340154
  O     18.17064381      9.80826382     -7.83387285
  H     14.60050278     12.47941705    -11.42168379
  H     11.45671186     10.53613556     -9.51709744
  O     16.54922437      6.01957763    -11.22403618
  H     17.33437184     10.20255903     -8.13256137
  H     11.82752269     11.17919243    -10.87406276
  O     13.25445872      4.73009188     -9.62307922
  H     18.50536768     10.37015502     -7.13930499
  H     14.91234045      7.84062344    -14.35305395
  O     19.14094395      6.49280487    -10.46790584
  H     16.13894597      6.20420763    -10.36868026
  H     13.53701693      8.21681942    -14.96639057
  O     17.83560092      6.97021677     -7.95475757
  H     15.98638680      5.35680908    -11.65190858
  H     19.02941650      9.54167346     -9.54964029
  O     16.87262481     10.36478525    -11.44636864
  H     13.11246037      3.98150105     -9.04856280
  H     19.29904365      8.39906334    -10.54297060
  O     14.04184134     12.79497124     -9.56961167
  H     13.99311814      5.23508715     -9.24207799
  H     16.16371254      6.47944959     -8.31851149
  O     15.77990752     10.74204725     -8.82882956
  H     19.75288645      5.83735298    -10.79288522
  H     14.80656921      7.17889459     -8.61665768
  O     13.59839287      8.53716189    -11.41475986
  H     18.26849134      6.26403933    -10.83070170
  H     12.20796195     10.32437336    -13.38706643
  O     11.62657748      6.81083082    -10.63737452
  H     17.95774574      7.91694408     -7.81056096
  H     13.24258359     11.26136327    -12.64528810
  O     13.12481701      5.18192453    -14.40513546
  H     18.40515691      6.74523209     -8.70087898
  H     11.65802978      6.17166829    -13.74130074
  O     11.76591965     11.35245114     -9.92261450
  H     17.78129917     10.08839158    -11.25687949
  H     11.03878738      6.77028040    -12.46415667
  O     14.24834725      7.56673542    -15.00114271
  H     16.45088217     10.47247912    -10.58447046
  H     11.46646920      8.32664477    -14.25238369
  O     19.23854355      9.35989693    -10.47447344
  H     13.20386041     12.30164835     -9.63100680
  H     11.25447621      9.25029805    -15.47521444
  O     15.28894809      6.34639015     -8.71363206
  H     13.81952785     13.67846737     -9.28836610
  H     11.13514549      8.06244110     -9.40629315
  O     12.41896525     10.75637019    -12.55077741
  H     15.13587013     10.03480477     -8.67941232
  H     10.27508068      8.61052781     -8.24688316
  O     11.02798166      6.83365776    -13.42638448
  H     15.26651484     11.54144614     -9.00246284
  H     14.04472169      4.37838360    -11.37154296
  O     11.81821174      9.10578028    -14.71945281
  H     14.37975941      8.34972874    -11.94818617
  H     14.07413679      4.59507153    -12.90552244
  O     11.06644498      8.77778572     -8.75248967
  H     13.17730195      9.32558969    -11.78274225
  H     13.87453767      8.71401949     -9.69017677
  O     14.61761285      4.34836950    -12.14659738
  H     12.33377398      7.36875412    -11.00241571
  H     12.97869219      8.79239590     -8.44456688
  O     13.90028080      8.73731441     -8.71840756
  H     12.06257996      6.02834074    -10.27815039
  H     16.30980045      8.97295053    -12.45303016
  O     15.92350162      8.18259120    -12.85589664
  H     13.58298873      6.00310130    -14.66211977
  H     16.24066818      7.41892505    -12.35467029
          69
 Energy    -249.35960630899785     
  O      1.68922797     -0.78290547      3.86211576
  H      2.47584646     -0.72490296      4.39747871
  H     -4.33040372     -1.64987883      4.69098421
  O     -1.12397114      0.59533285     -3.07090862
  H      1.02234710     -1.26075617      4.38890678
  H     -4.51014977      1.71324914      1.06639054
  O     -0.26040223     -1.99233992      5.25758871
  H     -1.17335831     -0.36324673     -3.16254720
  H     -3.81770864      2.85058249      1.82392916
  O     -2.24601449      0.86431209     -0.52153642
  H     -1.64674405      0.80748138     -2.28380322
  H     -2.16462862     -0.24199490      7.61046921
  O     -1.00925564     -2.29070738     -2.81218935
  H     -0.83457222     -1.42355637      5.78589184
  H     -2.79538174     -0.46892687      6.21547697
  O      1.35023053     -1.66220001     -1.61579829
  H     -0.81133629     -2.68518873      4.87636849
  H     -2.94292557     -0.41061281      3.72447646
  O     -3.84044508      3.31622755      3.71933109
  H     -1.36701760      0.94563400     -0.12921932
  H     -1.75744229      0.35875830      3.05136992
  O     -4.44498622     -3.09811063      3.63256120
  H     -2.81702674      1.50592898     -0.07610750
  H     -2.29744945     -2.09119436     -1.50516971
  O     -0.11409945      1.29618143      3.16657966
  H     -0.86139166     -2.92755147     -3.50607505
  H     -2.73087256     -0.87652915     -0.63981351
  O      1.38147822      1.15877483     -2.18624123
  H     -0.14709634     -2.13546458     -2.38585648
  H      0.28639753     -1.91027183      1.31967937
  O     -5.66762382      1.15497197      4.14639107
  H      1.52548471     -0.73916048     -1.83783216
  H      1.50519370     -1.33774640      2.08025937
  O     -4.08252494     -0.82985876      5.14173237
  H      1.42574069     -1.72521896     -0.65471562
  H     -1.09102439      2.05376638      4.51407565
  O     -3.92461106      2.47413929      0.94276193
  H     -3.95654926      4.22387154      3.98975997
  H     -1.81364285      1.48399617      5.75199848
  O     -1.97214410     -0.22336891      6.67639418
  H     -3.11274175      2.96059679      4.25761340
  H      0.80595911      1.26606321     -0.39992573
  O     -2.48104206     -0.25760500      2.88973164
  H     -3.57936138     -3.51798766      3.71093993
  H      0.67134537      0.16979521      0.68130029
  O     -2.83807832     -1.83476000     -0.74772205
  H     -4.62395253     -3.01559774      2.68888762
  H     -1.56321951     -3.51983943      2.92340743
  O      1.16637198     -1.52404897      1.19606700
  H      0.54456797      0.65521776      3.46322427
  H     -1.37975096     -4.86840072      3.66014412
  O     -1.78279302      2.24591893      5.16312466
  H      0.05415517      1.44328247      2.22640636
  H     -1.85946314     -2.34939972      0.71375495
  O      0.38678602      1.06487989      0.44552699
  H      0.50417423      1.03406152     -2.59174374
  H     -1.78431230     -1.63770453      2.08174061
  O     -1.71790599     -3.98224403      3.76531227
  H      1.86727367      1.75028572     -2.75390118
  H     -5.63561144     -3.14634875      0.26570992
  O     -1.42567185     -2.38492049      1.57444682
  H     -5.14276006      1.96110114      4.06123760
  H     -4.26731397     -2.43583492      0.17419217
  O     -4.98522164     -2.67663852      0.78277533
  H     -5.67346627      0.76192854      3.26255069
  H     -4.10040556     -0.01264511      2.00988174
  O     -5.00548278      0.02040928      1.66161261
  H     -4.72600566     -0.14251948      4.91209420
  H     -5.19442252     -0.86640823      1.34011857
          69
 Energy    -249.35948336420779     
  O     13.48217146     12.95829873    -10.02377568
  H     14.40991543     13.19713879     -9.90098342
  H     14.44929902     11.92001887    -13.03409494
  O     14.27827542     13.21100901    -16.90467955
  H     13.42984706     12.01191062     -9.84349667
  H     14.49721389     15.01673122    -14.42125207
  O     18.15617912      9.28605069    -11.11270334
  H     13.89612956     13.63527769    -17.66821228
  H     13.15210099     14.44853914    -13.91383705
  O     16.95534608     16.66670585    -11.58812431
  H     14.00484903     13.73346474    -16.12929726
  H     11.34962248     14.05673992    -12.08559944
  O     14.01340707     10.66659852    -15.74742217
  H     17.48051782      8.70584756    -11.51251484
  H     12.67537895     13.56981277    -11.46088626
  O     16.25021441      7.84637113    -12.29277622
  H     18.85398063      8.72068761    -10.79304341
  H     19.17602628     14.01001462    -13.75310754
  O     16.23239046      7.26989531    -15.08588452
  H     17.59814820     16.06473631    -11.18394521
  H     19.08241117     12.65673423    -13.03034840
  O     15.96829842     12.73886776    -12.75601126
  H     16.39181668     16.96357319    -10.87646196
  H     14.63503776     10.21360065     -9.37602879
  O     13.70007434      9.02029646    -12.06642732
  H     13.78751750     10.98185355    -14.85774264
  H     13.37057633      9.76699063     -8.60779734
  O     16.72943236     10.03951748    -15.41836249
  H     14.01692178     11.45276539    -16.30536244
  H     17.08824618     11.74071230    -16.23950904
  O     18.47490389     14.67074728    -15.38940903
  H     16.32028220      7.56251456    -13.21115363
  H     16.13514598     12.87086564    -16.69131969
  O     13.58096599     11.52119729    -13.20383624
  H     15.36679094      8.22564223    -12.18888746
  H     13.62470424      8.88602182    -15.24036432
  O     13.63791820     14.67842079    -14.71294525
  H     15.27589537      7.45265253    -15.03525556
  H     13.49898927      8.23003211    -13.84579485
  O     12.24077457     13.79590497    -12.30293959
  H     16.33148752      6.45592200    -15.57155782
  H     16.98810217     10.14659257     -9.89668455
  O     19.36876151     13.57326973    -12.91494254
  H     16.74582709     12.20054656    -12.95428969
  H     16.41039461     11.52729112     -9.50565855
  O     13.66862795     10.10632954     -9.44785184
  H     16.07213589     13.59972349    -13.18192222
  H     18.97195341     14.30854196    -11.40101742
  O     17.06121051     12.66573580    -16.51058216
  H     13.64597101      9.88858243    -12.49341792
  H     19.49760770     14.81124573    -10.03661280
  O     13.64839597      8.03571834    -14.77987902
  H     13.59164563      9.21122388    -11.12722582
  H     17.71677311     10.65665883    -14.00123154
  O     16.32821399     10.57787001     -9.34197358
  H     15.79487271     10.27489212    -15.51283335
  H     18.19421384     10.46107356    -12.52314213
  O     18.70660470     14.72854079    -10.56216034
  H     16.74582729      9.07554671    -15.39302430
  H     16.13481058     13.07326688    -11.01634774
  O     18.13995142     11.09482426    -13.25019828
  H     18.01922919     13.92686240    -15.82452520
  H     17.11838631     13.78818992    -10.07497526
  O     16.29988372     13.28113651    -10.08254812
  H     18.97127258     15.12332914    -16.06567106
  H     16.44132183     15.85272100    -13.10556076
  O     16.20654653     15.29607748    -13.86134452
  H     12.93352358     12.19045572    -12.95778060
  H     16.98865040     15.21289399    -14.42074716
          69
 Energy    -249.35933292256738     
  O     -1.40330806     -2.90905888     -0.27963592
  H     -1.05243854     -2.01186772     -0.31883503
  H     -5.06397049     -5.97253848      1.49164074
  O     -0.92892882      0.00537860      6.70069716
  H     -2.36223718     -2.84652786     -0.14578160
  H     -1.42906456     -6.19047381      0.15504000
  O      0.45044415     -1.49434668      3.29847707
  H     -0.36396305     -0.75970375      6.53326392
  H     -1.44648882     -6.63495369      1.62586208
  O     -1.51879729      0.26731118      2.33976015
  H     -1.76235477     -0.35214916      7.03254347
  H     -1.00939787     -3.49284383      1.44289129
  O      1.93762983     -4.73245463      5.66214684
  H     -0.16681942     -0.79697332      3.04531912
  H     -0.59850428     -4.60245734      2.47913858
  O     -3.41750410     -1.26897886      7.27574866
  H      0.04415584     -2.32305663      2.99380562
  H     -3.77103643     -4.38868541      3.11099801
  O      0.35852413     -2.37094036      5.86551383
  H     -2.32198461     -0.26984591      2.41268493
  H     -2.38785036     -3.72329436      3.23846081
  O     -0.70502856     -5.90666496      5.69806701
  H     -1.53197057      0.88664187      3.08087599
  H      2.37929919     -5.27130748      2.27762977
  O     -4.17435589      0.33276274      5.00310184
  H      2.16624896     -5.02285053      4.76531882
  H      3.20351573     -6.39333831      2.94366506
  O     -0.41246933     -0.27925425     -0.12847364
  H      2.68350444     -4.95141401      6.21663029
  H     -3.68330656     -2.09268265      3.13093190
  O     -0.27718482     -6.34962326      3.01798462
  H     -3.06182224     -2.11232686      6.94825350
  H     -4.10970033     -0.64989931      3.49144569
  O     -4.35556524     -5.34262844      1.59311903
  H     -3.89230929     -1.46584550      8.07914497
  H      2.03135967     -3.56744260      0.75103731
  O     -2.01294918     -6.51344814      0.85064360
  H      0.96501663     -3.11880499      5.89348848
  H      1.35205167     -4.83328119      0.16566346
  O     -0.86053734     -3.67880571      2.37880099
  H      0.44919106     -1.98825743      4.97833363
  H      1.60958452     -1.62227994      1.79783599
  O     -3.25687941     -3.79064775      3.66604792
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  H      1.26309027     -1.22379941      0.37065313
  O      2.51118942     -5.75907824      3.11203049
  H     -1.31050461     -5.21726508      5.99439149
  H     -0.62279233     -4.37419283     -0.83199534
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  H     -0.09524041     -5.36130787     -1.89915067
  O      2.02904289     -4.53549365      0.78232267
  H     -3.41653401      0.92593981      4.93687790
  H     -1.44306428      2.61704734      4.99570990
  O      1.88004504     -1.75996064      0.87996408
  H     -0.80046496     -0.00296535      0.71884235
  H     -1.30873768      1.13937580      5.42985799
  O     -0.17589725     -5.22998821     -0.95757232
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  H     -2.64043596     -3.60435935      5.33177300
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  H     -1.33494644     -3.09051480      6.03510581
  O     -2.20758977     -3.48196207      6.19063194
  H     -0.54390108     -6.29214989      3.94830135
  H     -4.26440297     -3.61884790      0.74180409
  O     -4.03058101     -2.75492473      0.37954987
  H     -3.54169892     -5.78806449      1.29686281
  H     -4.10777195     -2.12345046      1.10728488
          69
 Energy    -249.35907783477614     
  O     -1.90563379      3.65455694      3.58572144
  H     -1.20728231      3.00593272      3.73459864
  H     -0.95719508      2.35883960      0.87214979
  O     -2.82774112      5.79764048     -0.41686350
  H     -2.26365030      3.47050162      2.70559410
  H     -0.56350096      4.47739056     -2.50692651
  O      4.48614890      6.35801525      0.52145765
  H     -2.79984550      6.53776508      0.19995255
  H     -1.72474447      3.65091524     -3.04458086
  O      2.29740691      7.54393705      1.79832649
  H     -2.02481741      5.89586400     -0.95042251
  H      1.12398656      8.99320337     -2.79398475
  O     -0.36818241      5.99169361     -1.63616577
  H      5.37536186      6.64548058      0.33111002
  H      0.88595140      8.56979178     -1.32259136
  O      1.88276221      3.20147300     -0.10175165
  H      4.03110250      6.27055441     -0.33552991
  H     -0.95789475      1.93442105     -2.12000601
  O      0.66441792      5.47948168      0.85705918
  H      3.14740103      7.21479170      1.47742116
  H     -0.76549366      1.13828882     -0.81094422
  O     -2.13066788      7.89108748      1.41151685
  H      2.17887061      7.25369258      2.71269060
  H      1.59180577      3.20549887      3.86125427
  O     -0.92396230      6.12871596      3.09324167
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  H      2.85252387      3.85093543      3.21991712
  O     -2.54729019      3.31266147      0.86930609
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  H     -3.50131017      4.64135969     -1.91854719
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  H      1.49223803      4.02226921      0.23932117
  H     -3.77767492      3.14303597     -2.10823445
  O     -0.20284690      1.75252799      0.91641800
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  O     -0.76127310      3.64130340     -2.95787148
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  H      0.15819559      1.69159050      2.66075112
  O      1.16378114      8.24878366     -2.20040813
  H      1.30446887      6.17249474      1.06623676
  H      2.42575129      3.16851510     -3.55986914
  O     -1.21081585      1.11882992     -1.66750734
  H     -1.73807828      7.29195457      2.07069614
  H      1.03961602      3.61340342     -3.04849768
  O      2.20050777      3.94844517      3.92994792
  H     -2.70336963      8.48540842      1.89069600
  H      1.81748756      6.75840956      5.21011249
  O     -3.50391131      3.93955781     -2.58029237
  H     -1.30639200      5.28467135      3.37877923
  H      1.83033623      5.56652778      4.21900689
  O      0.30002129      1.81934888      3.61376647
  H     -0.13209698      6.29903539      3.61700525
  H      4.20440826      4.65585824      1.38892892
  O      1.99460673      3.69517491     -2.89060969
  H     -3.08953167      2.70572034      0.34981535
  H      3.31575788      3.44442408      1.07877282
  O      1.59275860      6.50866266      4.31850002
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  H     -4.36024118      0.81115703     -1.01017237
  O      3.90121108      3.81600438      1.75230596
  H     -0.48642031      8.60513084      0.63186135
  H     -2.91579250      1.30287943     -1.27529976
  O     -3.80101619      1.58211112     -0.97884653
  H      1.04225611      8.56366989      0.89085294
  H      2.49674109      6.91034225     -1.99965492
  O      3.09528939      6.17850316     -1.80417599
  H      0.56906567      2.20807988      0.54686231
  H      2.72589553      5.39770953     -2.23087230
          69
 Energy    -249.35889984959482     
  O     17.78798807     10.91948656    -14.92485482
  H     17.04658369     11.52800763    -14.82752551
  H     13.14123799      8.69441437     -8.33901693
  O     15.24073459      6.51181551    -11.34144019
  H     17.96191867     10.55886746    -14.04501664
  H     14.71631612     12.12143425    -11.44446446
  O     12.03199158      9.19403932    -12.83382107
  H     15.48152008      6.23188935    -12.23483107
  H     16.24864319     12.27495100    -11.27571805
  O     13.42075455     10.86292324    -10.97094680
  H     14.27342140      6.55475510    -11.29336834
  H     14.81771794      9.72896880    -11.45346687
  O     12.78481784      6.46251214    -16.11624144
  H     12.74199765      9.50436435    -13.41451181
  H     15.33804481      8.27338827    -11.72286422
  O     15.76734986      5.91566677    -13.97922551
  H     11.45559402      8.66377228    -13.39941904
  H     18.36448204      8.78879242    -17.21164825
  O     14.27201024      9.98948794    -14.32222672
  H     13.24559969     10.76863977    -10.02581903
  H     17.81084305      9.53459126    -15.97312372
  O     16.05360501     10.07440586     -8.58632767
  H     12.73611510     10.39837823    -11.46697281
  H     11.86090465      5.70797851    -12.21618324
  O     13.58621235      4.21227932    -14.50042679
  H     13.04793624      5.62528635    -15.71566623
  H     11.11566361      5.88358768    -13.54220991
  O     13.43155461     10.56217235     -8.19838800
  H     13.59712168      6.98173826    -16.18905126
  H     18.26050477      7.65096964    -14.87120264
  O     16.03288927      7.23376931     -8.82424164
  H     15.56363288      6.62155209    -14.60948747
  H     17.58643638      6.65915731    -13.91344592
  O     13.18696381      7.75603073     -8.55944786
  H     15.12236142      5.21752450    -14.15123356
  H     12.37758382      7.79427529    -11.64176540
  O     15.48674093     12.61374781    -11.75964809
  H     14.57317520     10.89003619    -14.49115071
  H     12.62912201      7.26444026    -10.18506969
  O     15.43843885      9.20063510    -11.97091873
  H     14.75979081      9.68359957    -13.54083176
  H      9.95014239      7.52520367    -15.17662610
  O     17.79892788      8.68558481    -16.45144021
  H     16.67165090     10.50498722     -9.18778767
  H     11.44977622      7.15055765    -15.21942458
  O     11.56364624      5.22381100    -12.99933713
  H     16.17226823      9.12142381     -8.68955711
  H     18.56651642     11.88113317    -10.22066177
  O     18.32640481      7.27376007    -13.98484028
  H     12.86559484      4.50378102    -13.91311646
  H     18.02678294     10.76041977    -11.13648896
  O     12.55162550      7.00355340    -11.11458539
  H     13.46122104      3.27832377    -14.64506425
  H     14.82342188      8.67279538    -15.40856843
  O     10.72948310      7.44545099    -14.63300297
  H     14.39908463     10.45632650     -8.27174071
  H     16.04431553      8.13901097    -16.20649763
  O     17.77387727     11.40277857    -10.45192107
  H     13.26860948     11.13807276     -7.45691369
  H     15.49564389     12.62824218    -13.49192121
  O     15.16994760      7.89901856    -15.87630453
  H     15.85429549      6.90092593     -9.71977795
  H     15.24564854     13.37924489    -14.82187967
  O     15.47484454     12.52737818    -14.46092512
  H     16.57341507      6.57655027     -8.39281075
  H     18.34531425      8.74644942    -12.89181730
  O     18.08284347      9.56688406    -12.45175676
  H     14.11920725      7.51805068     -8.48911837
  H     17.13311151      9.46689994    -12.27476628
          69
 Energy    -249.35814668941987     
  O     11.22703223      9.72197003    -11.42458328
  H     10.63325183     10.36557350    -11.04508456
  H     16.18681166      5.83708861    -16.69739892
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  O     17.20826387     10.26957569    -10.27381438
  H     13.14881801      7.64576994    -15.14983831
  H     18.71373261      5.65847415    -16.37559876
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  H     14.56876395      7.43315063    -14.57078355
  H     14.40909525     11.42239861    -15.86935545
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  H     17.82733990     10.36729230    -11.00823059
  H     14.71110209     12.90089773    -15.52112679
  O     15.45192169      6.46651987     -9.61074249
  H     17.46632133      9.46185522     -9.81029245
  H     15.54850744      8.60357299    -12.82836077
  O     12.99814764      5.95620419    -12.53713848
  H     16.98670361      8.66343112    -17.34878022
  H     16.39609352      7.40752102    -13.39408181
  O     14.88863739      9.59324285    -11.51919795
  H     17.61235968      9.34342335    -16.11301421
  H     18.65859317      7.53446681    -10.88448831
  O     15.37177462      8.39946520    -18.32829164
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  H     19.00348407      8.40438869    -12.11168479
  O     15.38134702      4.59884536    -11.76839054
  H     11.34661524      8.49842789    -14.60793979
  H     11.24494764      6.84148222    -12.93860299
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  H     10.68144921      8.21645188    -12.53905410
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  H     13.24693376      6.25157943    -13.42538081
  H     17.60282222      5.82840778    -14.13681179
  O     15.86726347      8.17690177    -13.63674325
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  H     18.01465469      6.34503950    -12.71193923
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  H     15.64790078      9.89151868    -10.99890596
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  H     15.31985468      8.30381688    -19.27595544
  H     18.15484259      7.46752166     -8.34965756
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  H     14.26152712      9.61294170    -17.42452727
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  H     13.02191327      9.78898438    -16.50172913
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  H     13.01945758      7.14381814    -11.16485140
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  H     16.34187189     11.04822587    -14.81845608
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  H     13.77650898     10.42496200    -12.59441803
          69
 Energy    -249.35802563427293     
  O     13.39051807     13.32443290    -14.21880512
  H     13.91112889     13.74934865    -14.91032401
  H     17.79833444     11.24215506    -15.94388456
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  H     15.25095666      8.64758033    -18.04487138
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          69
 Energy    -249.35738790380157     
  O     -1.28729050     -3.20772723     -0.19687961
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          69
 Energy    -249.35727762137714     
  O      2.21447472     -0.77246676      4.35197955
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  H      3.47176515      0.15353352      8.33577663
  H      2.64923614      2.24245139      3.95065520
  O      0.46253629     -3.09836027      7.81869549
  H      1.93269486     -2.22774011     10.89534059
  H      3.49473807      2.03923078      2.66810346
  O      2.72306505      1.72298647      3.12970904
  H      2.25217490     -1.46847958      9.58393322
  H     -2.63362974     -0.35361823      6.88175187
  O     -2.20582051     -0.13909803      6.04540661
  H     -2.73131235     -2.54983989      3.98784517
  H     -1.26805412     -0.36338186      6.15189190
          69
 Energy    -249.35708777698613     
  O     15.03589176      6.36710014    -13.14974414
  H     14.89444976      6.48270838    -14.09583106
  H     20.41451641      9.66662852    -16.18094795
  O     18.56257623     11.81521760    -11.98043731
  H     14.76657560      7.18844988    -12.71825629
  H     17.63760295      8.20272404    -15.11910058
  O     21.27703940      7.64582619    -13.78616484
  H     18.98987662     12.38300341    -12.63394854
  H     16.81645997      9.39471585    -14.51927862
  O     14.58217631     11.35029468    -10.47612950
  H     18.91875129     10.92679517    -12.12666673
  H     16.10392972     11.31075546    -17.13666477
  O     14.85863258      8.84536409    -11.80177095
  H     22.20239256      7.43272428    -13.70093479
  H     16.74771126     12.60421305    -16.58405341
  O     19.59069109     13.14577012    -14.24164008
  H     21.16259101      8.04708115    -14.66651099
  H     18.14741535      8.52685286    -11.32355824
  O     19.14063981      5.72037477    -13.98250098
  H     14.04265634     11.71617853     -9.78064828
  H     17.38398817      7.23657585    -10.97975109
  O     15.22138208     10.18366230    -14.20016865
  H     15.46725993     11.19622071    -10.09718183
  H     14.98433457      9.72882595    -15.93030862
  O     17.62924476      6.59094721    -16.04950672
  H     14.56973727      9.63085650    -11.32181959
  H     14.86073090      8.40280923    -16.66782399
  O     14.91669991      6.59471326    -16.02224914
  H     15.73940380      8.63186648    -11.45923729
  H     17.71124746     11.26541673    -10.33686037
  O     17.26271108      5.56367618    -11.82492605
  H     20.38946967     13.60688304    -14.48464230
  H     17.26266283      9.86232249     -9.87849694
  O     20.84132135      8.80083030    -16.21421971
  H     19.51716120     12.37827806    -14.83498801
  H     20.13846930      8.72278782    -12.75874901
  O     17.70244333      9.02382306    -14.61822290
  H     19.88355522      6.31118459    -13.81171279
  H     18.72160839      9.10547826    -13.22561682
  O     16.84150032     11.91464072    -17.26051523
  H     18.60966299      5.67832800    -13.17759735
  H     16.82793724     12.21978712    -12.47015637
  O     17.40966836      8.18396339    -10.79790332
  H     14.99394269      9.63727298    -13.43571287
  H     15.35320419     12.22519668    -12.00205068
  O     15.05159670      9.33800909    -16.81348078
  H     15.44713071     11.05083819    -13.83917742
  H     19.43993259      7.16323853    -19.00559549
  O     17.12765748     10.80581455     -9.71913887
  H     18.17783443      6.18107163    -15.36185689
  H     18.51380801      8.22653914    -18.36626827
  O     19.34555652      9.19726728    -12.48593400
  H     18.19343934      6.80536048    -16.80197488
  H     16.38606413     13.39315905    -14.32264474
  O     15.92568974     12.43500869    -12.74924784
  H     14.55505124      5.85306261    -16.50180651
  H     17.79096030     13.69707778    -14.84404323
  O     19.18487858      7.54696696    -18.17093107
  H     15.88628062      6.51668974    -16.07320257
  H     18.67625150     10.29459821    -15.42808615
  O     16.86651145     13.66202657    -15.11626438
  H     16.46061824      5.78280812    -12.33334541
  H     18.43329508     11.37417367    -16.48700313
  O     19.11651313     11.01334279    -15.90639298
  H     17.09155040      4.73233943    -11.38954789
  H     17.37605099     10.32996911    -18.49498801
  O     17.23946426      9.37991561    -18.56014360
  H     20.38179988      8.31873349    -16.91253761
  H     16.45348448      9.22259691    -18.01641409
          69
 Energy    -249.35695068261992     
  O     14.63979656     10.17506052    -14.93445270
  H     14.64540908     10.92154061    -15.52916748
  H     10.50495465      5.55632024    -11.05216007
  O     10.98977033      9.09873919    -10.11410713
  H     13.71880559      9.87574224    -14.87557547
  H     16.88780295      4.02413756    -12.68179499
  O     15.30266644      5.81207621    -10.08509565
  H     11.66040752      9.03638792     -9.42294046
  H     17.07922528      4.57860739    -14.09768821
  O     13.60815126      1.80002723    -10.49455490
  H     10.82390618      8.19467342    -10.40937064
  H     13.72190484      7.22355248    -12.53397098
  O     13.09104626      8.76424576     -8.17197995
  H     15.43213633      5.02281011    -10.62995237
  H     14.78978979      6.94309517    -11.42427482
  O     11.98346031     10.56159421    -12.21125151
  H     16.14931151      6.25353798     -9.94515703
  H     11.19703821      9.57529753    -15.07994979
  O     15.29115991      3.63780312    -11.76340258
  H     13.05569630      2.35445111     -9.91431642
  H     11.89813979      9.81010863    -13.71618350
  O     11.89257238      2.60491040    -12.65604453
  H     13.72185670      0.96390169    -10.05131408
  H     17.76430342      7.39343141    -10.86440735
  O     14.79601460     10.24936263    -11.99733122
  H     13.06107962      9.21640853     -7.33268638
  H     18.34241710      7.47987954     -9.43357358
  O     11.95151481      3.41349591     -9.07682815
  H     13.93751917      9.00604453     -8.58672544
  H     12.86316603      6.95330012     -8.53784826
  O      9.97504437      3.78807558    -11.13894250
  H     12.92360800     10.60786134    -11.99899543
  H     13.73807328      5.93139105     -9.29456909
  O     10.98595434      6.39124061    -10.99301059
  H     11.55703364     10.11670725    -11.46362483
  H     16.18007353      8.82970053     -9.53359309
  O     17.54287225      4.42891707    -13.26558222
  H     14.82426456      2.93094976    -11.30068631
  H     15.31462157      9.91295354    -10.21130844
  O     14.56354179      7.51832823    -12.16387594
  H     14.71419906      3.92523655    -12.48596109
  H     17.60603039      7.48454406    -13.23838109
  O     11.96801138      9.34049651    -14.57047691
  H     12.45681223      3.15282694    -13.21689203
  H     18.02429845      6.10148506    -12.72559934
  O     17.52557049      7.49607195     -9.92523498
  H     12.47977359      2.19024836    -12.01177222
  H     12.04397218      7.58774461    -13.84590749
  O     12.84709812      6.07694853     -8.94111652
  H     14.94478347     10.45418954    -12.92502561
  H     11.69050037      6.67984699    -12.60905759
  O     15.44496584      9.43516777     -9.38172173
  H     14.69137142      9.28300704    -11.96891106
  H     15.71257270      8.61722595    -14.76192704
  O     18.08677996      7.04839840    -12.52760186
  H     12.24957548      4.30955511     -8.87036059
  H     15.60153304      7.60400346    -13.60960998
  O     12.22717106      6.74571636    -13.41397076
  H     11.17504008      3.51498825     -9.64068689
  H     15.95695190      6.17367744    -15.20540345
  O     16.06671779      7.77965933    -14.44391730
  H     10.60584936      3.36186266    -11.74690399
  H     16.11067671      5.21313551    -16.40840260
  O     15.85731994      5.24898040    -15.48953132
  H      9.13105054      3.36706148    -11.27643906
  H     13.12084699      5.22102750    -13.81043737
  O     13.66002002      4.42330830    -13.91121472
  H     11.65471322      6.27393511    -10.30179610
  H     14.35171304      4.62939642    -14.55181132
          69
 Energy    -249.35680548024635     
  O     11.59198700      8.39714720    -10.10302224
  H     11.33534166      9.24004849    -10.51643759
  H     13.47500556     12.62621004    -14.61567560
  O     13.00062335     10.29742615    -18.03977295
  H     10.78756907      7.97442898     -9.81399003
  H     16.81103931      9.08428790    -12.71583712
  O     13.43798743      8.15095685    -12.24116269
  H     12.25954513      9.69641766    -17.89094618
  H     17.34189621     10.53102301    -12.53585040
  O     14.41839365      9.29323177    -15.90371432
  H     12.66426462     11.17902248    -17.83846113
  H     15.04943066      7.82454018    -13.25086351
  O     13.34073467     12.20112417     -8.01482274
  H     13.74072172      9.06310925    -12.10879079
  H     15.50425594      8.33915794    -14.62844196
  O     11.83008618     12.81538362    -17.22876649
  H     12.83870336      7.97332247    -11.50785314
  H     12.36459372     13.01379017     -9.42034016
  O     12.00221032      8.75458616    -14.56393982
  H     13.60774708      9.05511183    -15.43198377
  H     11.49628645     12.49009090    -10.57345726
  O     13.93067754     10.87213490    -11.90314566
  H     14.11992790      9.62994607    -16.76049351
  H     18.16388521     12.65240128    -13.78786520
  O     13.64834789      9.55659697     -8.49637407
  H     13.38192448     11.23355981     -8.12606314
  H     16.90109090     12.90139287    -12.92469820
  O     15.88039507     13.89845138    -11.93580135
  H     13.28011827     12.36927167     -7.07848335
  H     11.37274365     11.89736452    -14.17336662
  O     11.23579006     10.80474248    -11.37172941
  H     11.85839876     13.63177351    -17.72221044
  H     10.16898256     11.17170704    -14.82919401
  O     12.66124095     13.15485453    -14.60476950
  H     12.12588529     13.02577898    -16.32834641
  H     15.89787967     11.30283765     -9.64836197
  O     17.20076305      9.69784720    -12.07522239
  H     12.41722405      8.42139742    -13.75827296
  H     14.80386784     12.29140745     -9.16124055
  O     15.83357865      8.00508248    -13.78502611
  H     11.57693458      9.59451750    -14.33901466
  H     15.78543185     11.77274233    -14.25606908
  O     11.93323777     13.28434963    -10.23966613
  H     14.27995692     11.13489009    -12.76468881
  H     14.81693651     10.77692166    -14.99222964
  O     17.36906745     12.23773173    -13.46407457
  H     14.45259143     11.31981413    -11.22854492
  H     10.26767151     11.72478539    -16.90482933
  O     10.72569093     11.19199291    -14.03795418
  H     14.50864352      9.39017143     -8.90182787
  H      9.89901727     10.23023335    -16.84811331
  O     15.47236693     12.14844795     -9.84302273
  H     12.99103587      9.06400898     -9.00128548
  H     17.01242791      9.07040210     -9.03901026
  O     14.86038583     11.57062685    -14.44144822
  H     14.98659258     14.20774548    -12.11858333
  H     16.64054763      9.51813214    -10.46843498
  O      9.61847873     11.10431169    -16.54846851
  H     15.81760917     13.37993914    -11.11967831
  H     12.68804122     14.18800463    -11.53563184
  O     16.32814464      9.50083591     -9.54480521
  H     12.19450274     10.87110468    -11.51851476
  H     12.89133930     15.59181418    -12.14276381
  O     13.10155605     14.67011111    -12.27329702
  H     10.83402448     10.92138241    -12.24336265
  H     11.24691675      8.51122826    -16.19782230
  O     10.87562705      8.58641071    -17.09238666
  H     12.74040735     13.75659662    -13.85504433
  H     10.61789136      7.70652098    -17.35581911
          69
 Energy    -249.35658279627029     
  O     -6.38927134      2.63075433      0.13492629
  H     -5.50665115      3.01847725      0.03403969
  H     -3.78214999     -0.90475714      3.76250305
  O     -5.34188218      2.39687721     -4.03017892
  H     -6.85271505      2.76678982     -0.70013367
  H     -1.22104582      3.44352536      1.49751264
  O     -5.83392087      2.29571801      2.91682998
  H     -5.33949148      1.46497118     -4.27926890
  H     -2.28077348      3.76955668      2.57830960
  O     -3.09135143     -3.12604827      1.62385209
  H     -4.49278391      2.55708273     -3.59596248
  H     -3.16594402      3.88731469      0.54024822
  O     -3.95997535     -1.41419128     -0.31009664
  H     -6.16060356      1.39874350      3.05402877
  H     -3.60473060      2.43984886      0.32501955
  O     -5.42901188     -0.47912892     -4.26621217
  H     -6.12470098      2.54169934      2.03015535
  H      1.51438872     -0.97980217      0.44571978
  O     -6.35485173     -0.16215444      0.27277308
  H     -3.40180603     -2.57757489      0.88247955
  H      0.10280327     -0.99962217      1.07019137
  O     -3.14713120     -0.26657812     -2.67069313
  H     -3.17042150     -4.03507902      1.34694540
  H     -0.28573503      2.28426249     -0.51192808
  O     -2.98627593      2.53339928     -2.51858526
  H     -3.68269367     -1.11616894     -1.18723169
  H      0.10541929      1.14169591      0.45275901
  O     -0.87324628     -1.52036529      2.39082691
  H     -4.82924811     -1.02647111     -0.12691191
  H     -7.08863205     -0.29406939     -1.44602216
  O     -0.32483136     -0.23924401     -2.35990335
  H     -6.13353340     -0.43208389     -3.59450572
  H     -7.56225384      0.81284452     -2.40300433
  O     -4.43049139     -1.61419912      3.64936583
  H     -5.75789888     -1.02674910     -4.97361811
  H     -2.72986780      0.58213728      2.59878012
  O     -1.83032200      4.12695271      1.80193805
  H     -6.31748892      0.80340680      0.20841695
  H     -2.72774779      1.30700805      3.94176445
  O     -3.75836094      3.34415338      0.00449231
  H     -6.59022393     -0.35774971      1.18821429
  H     -5.94970723     -0.89661615      3.29374608
  O      0.62600989     -0.65389926      0.32535324
  H     -3.85566931     -0.44529849     -3.30242282
  H     -7.46146472     -0.75000375      3.59496356
  O     -0.38889933      1.97017970      0.39561516
  H     -3.11258759      0.69564555     -2.56863896
  H     -2.01617694      1.16999856      0.61282511
  O     -7.33208657     -0.12407089     -2.36540297
  H     -3.26588237      2.90998602     -1.67180046
  H     -3.13978965      0.07271274      0.42238553
  O     -2.54766991      0.44880748      3.54318860
  H     -2.03013715      2.64716039     -2.57540846
  H     -6.74353159      2.70194761     -3.03406025
  O     -6.76360029     -0.43053344      3.02981584
  H     -1.29949496     -0.84947998      2.93983941
  H     -8.14757036      3.32763091     -2.85578357
  O     -2.91317464      0.90089527      0.85925704
  H     -1.55998802     -2.16337928      2.17461336
  H     -4.29587514      2.83376511      3.59760926
  O     -7.51935676      2.73920132     -2.44594576
  H     -0.07957037     -0.52571195     -1.47130833
  H     -3.62830257      3.65596813      4.72060012
  O     -3.43672282      3.08172773      3.98352396
  H     -1.26161634     -0.43991200     -2.48568138
  H      0.52469330      2.80864991     -2.94425208
  O     -0.17632721      2.46333916     -2.39856951
  H     -4.02716921     -2.24565078      3.04286268
  H     -0.14992937      1.49179884     -2.47717230
          69
 Energy    -249.35655685222042     
  O     12.48546889      9.41210761    -11.05272991
  H     12.93911300      8.66031661    -11.45199435
  H     11.23397047     12.69061089    -11.03437489
  O     10.85339813      6.21308825    -12.58908519
  H     13.00048733      9.70410402    -10.28873143
  H     10.78587953      9.00385759     -7.50170792
  O     11.89346779     11.67790011    -12.41490166
  H     10.42371834      5.44855389    -12.96216670
  H     10.68643781      7.99076959     -8.66697708
  O     13.84246457     10.34347256     -8.83023374
  H     10.78651473      6.92744413    -13.25038564
  H      9.98055811     11.00069136     -6.09283800
  O     15.36938827      7.57642323    -10.23985149
  H     12.07229205     10.83522050    -11.96763088
  H     11.00028156     11.38522211     -7.18482702
  O     13.05183282     15.03300293    -10.74498167
  H     12.74013708     12.13797158    -12.46800593
  H     14.03985817      7.31902728     -6.99310364
  O      8.48506854     10.07630541    -11.20097935
  H     13.87319457      9.53248961     -8.30830851
  H     12.81862906      7.82667718     -7.79449094
  O     14.36530713     12.94516180    -12.17607206
  H     13.24503910     10.97608496     -8.41015722
  H     15.11143836     11.29314534     -9.58569161
  O     14.52313559     13.90305221     -8.52604008
  H     14.86467057      7.56167698     -9.41934607
  H     16.35957695     11.15890484    -10.46293975
  O     10.20411139      7.96732827    -10.45864325
  H     14.77900178      7.24504022    -10.93098086
  H     11.82393622      8.50003987    -14.50313657
  O     15.22802100     10.52358931    -13.44888106
  H     12.25398455     14.50846762    -10.55923978
  H     10.43249801      9.10566091    -14.18987046
  O     10.99913923     13.26321137    -10.29194395
  H     12.76256992     15.93164342    -10.88119888
  H      9.29219561     11.42764927    -14.30719918
  O     11.12346329      8.15837671     -7.82133152
  H      8.95630105      9.27682566    -10.93146052
  H     10.47382992     11.18520598    -13.33861140
  O     10.29362932     10.75734287     -6.96148812
  H      8.78996509     10.27630526    -12.09244870
  H      9.17484105     11.47509514     -8.45739637
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  H     11.78643590     12.69297674     -8.73009160
          69
 Energy    -249.35642836142887     
  O      0.96336808      0.14489827      2.54598547
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  H     -0.61701606     -4.31955756      4.50359519
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  H     -6.01284614      1.59176552      4.03159050
  H     -1.55064112     -1.89886108      1.52897313
  O     -1.05958730     -3.63457164      4.01052361
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  H     -6.18467238     -3.68211004      2.59289215
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  H     -2.65941823      2.81818416      0.72681698
  H     -5.95880197     -1.26620610      1.79032139
          69
 Energy    -249.35614193693328     
  O     14.61352635     11.18890522    -10.90686023
  H     15.33105206     11.16166822    -11.55514411
  H     16.83802853      8.26149837    -15.91023029
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  H     20.46600084      8.62869190    -15.09413874
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  H     16.93044690      9.78406025    -15.92798853
  H     16.55863306      9.71211832    -12.79550662
          69
 Energy    -249.35594989521394     
  O     17.18366499      9.75709337    -11.64550510
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  H     13.24121225      6.97989163     -6.07681953
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  H     15.34139414      7.77074758     -9.22118853
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  H     16.58345962     12.54798753    -13.09107966
  H     19.99907970      6.25932840    -10.45020886
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  H     16.66607427      4.58728019    -11.33764596
          69
 Energy    -249.35585441420997     
  O      2.00757775     -0.08019430      4.42184715
  H      1.68096106     -0.47702559      3.60360857
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  H     -2.63927973     -2.18553351      6.22291707
          69
 Energy    -249.35524050973095     
  O     -6.74645432      2.32895784      0.18370965
  H     -6.21068735      2.97887082     -0.29812928
  H     -6.21483256     -0.61293139      3.46738094
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  H     -4.04516677     -1.60440585      2.50975711
  H      1.61360304      0.58442542      1.27122921
  O     -1.68788927      2.28899187     -2.18313676
  H     -1.44254832      0.48266682     -1.97279645
  H      0.61014596     -0.57504184      1.16356044
  O     -1.24310296     -0.59513862      1.02548668
  H     -0.30482263     -0.56504624     -1.88143886
  H      2.00933785      3.17127499      1.56471540
  O      1.56716368     -0.45103912     -1.69766270
  H     -4.81534207      0.43608285     -1.63550232
  H      1.21998743      2.53545729      0.39801893
  O     -6.90732525     -0.14783847      2.98390597
  H     -6.16300952      0.34139183     -2.37340751
  H     -8.73118767      0.68062574     -1.74030284
  O     -4.52843230     -1.12489937      4.21178985
  H     -4.51715831     -2.78501090     -1.00067581
  H     -7.54832615      1.19053400     -0.88283120
  O     -1.24588615      1.88278620      2.29050330
  H     -5.12023877     -4.10910096     -0.47466731
  H     -4.35011362      1.90635393      3.39220920
  O     -2.82226304      2.88487174      0.24649399
  H     -4.19709716     -1.23346144     -2.54990561
  H     -2.81179293      1.66019898      3.33761684
  O      1.53957900     -0.34424180      1.02005762
  H     -2.75490004     -1.52938291     -2.10033695
  H     -6.52683676     -2.06470709      0.20952372
  O      1.34471990      2.51784142      1.36386269
  H     -2.01680579      2.56454619     -1.31347516
  H     -7.45958613     -0.90314939     -0.19749288
  O     -7.83142180      0.48497664     -1.49253343
  H     -2.39947436      2.47191301     -2.80655598
  H     -4.27872724     -0.08453345      0.68637793
  O     -3.63088836      1.38674007      3.76870493
  H     -1.28923784     -0.52790094      0.06210148
  H     -5.29016918      1.06421426      0.32674630
  O     -7.18770345     -1.44969385      0.54835126
  H     -2.04639081     -1.05386737      1.30480856
  H     -4.75283355      3.67191989     -2.04513830
  O     -4.43462701      0.67268623      0.11005311
  H      1.64745404     -0.48809253     -0.72736435
  H     -4.21132686      3.82285182     -0.61492627
  O     -4.99862404      3.96315670     -1.15975934
  H      2.29569665     -0.95105520     -2.05467936
  H      0.12987359      2.45545689     -1.73048818
  O      1.00646067      2.34682704     -1.33953285
  H     -7.05876549     -0.64054129      2.16411182
  H      1.29287471      1.45870153     -1.58583508
          69
 Energy    -249.35511116444650     
  O     16.77132673      9.14464959    -12.10987742
  H     16.97239110     10.03701623    -11.79055799
  H     13.45968604      8.96465750     -6.45545733
  O     14.78471790      5.58774210     -6.70418181
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  H     17.73565232      3.80394444    -12.12480163
  O     12.31014671      6.55742484     -7.77726409
  H     15.20296645      5.56081075     -7.58184908
  H     19.03994108      3.01703363    -11.85635792
  O     14.80688568      7.45489840    -13.02257415
  H     15.02690596      4.78073181     -6.25751257
  H     15.26436155      5.40275122     -9.94439761
  O     19.21295737      7.88601134    -11.78215265
  H     12.30192979      7.47300593     -7.47296507
  H     15.78408990      6.70638206     -9.31538362
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  H     13.07925634      6.14749428     -7.36414623
  H     19.07611720      6.73903838    -13.23578409
  O     18.52700408      5.93326736     -9.87546708
  H     15.21452507      6.95357705    -13.73964576
  H     18.91110448      5.21552137    -13.21051103
  O     11.71864848      6.11754687    -10.37470330
  H     15.46742284      8.11064042    -12.75285448
  H     17.23917137      5.97391875    -14.51486438
  O     15.84454666     11.77941429     -8.55418152
  H     19.62624198      8.63327171    -11.33352052
  H     16.35384688      5.82217651    -15.77341007
  O     12.76356576      8.61520163    -11.35006567
  H     18.98797604      7.23722119    -11.09897240
  H     16.19176671      8.63663618    -10.47576147
  O     13.69205859     10.16281243     -9.29291063
  H     19.90133937      9.38877840     -9.39708472
  H     15.00711735      8.91708693     -9.51027319
  O     12.62160636      9.24085328     -6.87087447
  H     20.93503579     10.38123247     -9.98089714
  H     18.45818517     11.02404314    -10.49613341
  O     18.65807234      3.89010124    -11.82272289
  H     18.70572632      5.18936942    -10.46578655
  H     17.08652544     11.57002954    -10.01636731
  O     15.80948835      5.73958120     -9.22145977
  H     17.60595963      5.82485311     -9.60234638
  H     14.98440458      7.36599342     -6.06623303
  O     18.83350862      5.98428348    -13.78871965
  H     10.82159926      5.80207189    -10.44295283
  H     15.75518617      8.69281351     -6.28593775
  O     16.32057999      5.86834884    -14.82161852
  H     11.90068170      6.24761027     -9.42685387
  H     13.28991343      5.41537224    -11.07810444
  O     15.81245590      8.39548686     -9.62092417
  H     15.54640697     12.66030501     -8.34016214
  H     14.41752318      6.03372139    -11.93693216
  O     17.61417643     11.38151787    -10.80102487
  H     15.06073586     11.29005429     -8.85466024
  H     18.66878703      8.53806207     -7.80452439
  O     14.95700332      8.31557357     -5.89417117
  H     13.37800562      8.32121098    -12.03372016
  H     19.16751031      7.32591435     -8.64781994
  O     14.18484972      5.25900021    -11.40250304
  H     12.31795386      7.81601537    -11.04391668
  H     16.69262609      8.97953079     -8.20049112
  O     19.44056028      8.16042739     -8.24787583
  H     13.22247597      9.88604565     -8.49499556
  H     16.82481546     10.35520299     -7.56248261
  O     17.05506621      9.43031720     -7.42018487
  H     13.27141239      9.73534466    -10.05579190
  H     15.38520473      4.14737267    -12.28251769
  O     16.12761588      3.82930726    -12.81309486
  H     12.09532707      9.64983694     -6.18926368
  H     16.13950217      4.39606980    -13.59461101
          69
 Energy    -249.35483066103646     
  O     -3.54277387     -0.62185489      3.26643869
  H     -4.07958301     -0.34282919      4.00450651
  H      0.21176253     -0.50240338      0.03426571
  O     -0.41015777      2.84627149      1.70507858
  H     -3.77668976     -0.03944858      2.52031433
  H      2.95769791     -1.99119262      1.89638326
  O      0.96477146     -0.57986052      4.79820737
  H     -0.61086427      2.06206123      2.23726516
  H      3.14561406     -0.52259764      2.42019604
  O      1.40384847     -3.72263508     -0.42620432
  H     -1.25042083      3.29812521      1.56558898
  H     -1.64132124     -3.27307903      1.36276248
  O     -2.32284692     -1.59622789     -1.56712952
  H      1.78167490     -0.12373463      4.56619388
  H     -0.64160184     -2.28082517      0.75008607
  O     -3.93580220      0.54393366     -1.46123955
  H      0.26895594     -0.11714565      4.31087701
  H     -1.82486663      0.16086933      3.17714081
  O     -4.06151193      1.12060210      1.29586775
  H      1.85886765     -3.81390330      0.41963763
  H     -0.53736407      0.02390499      2.31122776
  O     -2.38127245      2.94797520     -1.48169076
  H      0.46482490     -3.67223989     -0.20424983
  H     -2.95656580     -3.77888903      3.52428059
  O      0.35928805      2.36655926     -0.96583201
  H     -1.49820817     -1.13465870     -1.78223377
  H     -2.79833688     -2.28957498      3.15432093
  O      2.25570011     -1.94152195     -2.30139625
  H     -2.08707496     -2.22595005     -0.87572928
  H      2.70530324      2.73670345      1.18134329
  O      0.06742606     -0.24761124     -1.79156747
  H     -3.39277049     -0.26370262     -1.50109655
  H      1.43003942      2.87998981      2.03706353
  O      0.28234012     -0.73922029      0.96734235
  H     -4.65778489      0.41714319     -2.07098605
  H      1.76748645     -3.57837247      2.79044840
  O      2.98697010     -1.06206131      1.63486353
  H     -4.07674703      0.87404492      0.36210471
  H      3.03444015     -4.45079983      2.62040755
  O     -1.16626787     -3.07235357      0.54963053
  H     -3.74339011      2.03034099      1.32289946
  H     -0.46665311     -3.14289046      3.63870977
  O     -0.93449598      0.50549014      3.05630994
  H     -2.83903642      2.10393557     -1.58736461
  H      0.66014832     -2.26524275      4.24187036
  O     -2.36060825     -3.15413125      3.11698544
  H     -1.43357822      2.76326397     -1.49916446
  H      2.94865637      1.49315466      3.18478300
  O      2.37940205      2.70820081      2.08859451
  H      0.08515833      2.46860405     -0.04276842
  H      4.00648789      1.08924143      4.23798118
  O      2.53040735     -3.75464859      2.20864088
  H      1.30447086      2.56171682     -0.98545692
  H      3.31516707     -0.65032601     -1.42649293
  O      0.47752544     -3.11860063      3.81913315
  H      1.97650997     -2.60163926     -1.64147532
  H      3.54605582     -0.36909741      0.06509954
  O      3.26662711      0.75617234      3.73761714
  H      2.44635691     -2.42197595     -3.10250257
  H     -2.80803219      3.56692927      0.08528750
  O      3.68089996      0.00249646     -0.81882343
  H      0.25461282      0.68942352     -1.64308315
  H     -3.42083726      4.62171795      1.03851704
  O     -2.98539514      3.77401424      1.02157140
  H      0.87122184     -0.70286460     -2.07102196
  H      3.82475481      3.13350862     -1.10527599
  O      3.13249633      2.63291562     -0.68281819
  H      1.21964007     -0.84334682      1.17682350
  H      3.37196911      1.69165851     -0.76716880
          69
 Energy    -249.35476206950665     
  O     17.83882037      9.47649979    -18.11953156
  H     17.73381191      8.62315173    -18.55771290
  H     17.69580830      8.24071545    -11.29723307
  O     15.40647936      6.66492950    -12.48762602
  H     17.05585041     10.01394629    -18.31511336
  H     20.39461741      8.91066045    -16.15793958
  O     17.54005333     13.86834869    -13.14612491
  H     16.31578838      6.83187533    -12.17877052
  H     19.90221470      7.42942469    -16.09771412
  O     20.33665566      7.93059072    -13.00954128
  H     15.05374702      5.97570983    -11.93003786
  H     17.74226588      9.28770738    -14.81563445
  O     15.07267104      6.72217413    -17.71567795
  H     17.99747067     13.43171387    -13.87510018
  H     17.43932923      9.08800747    -16.34503485
  O     14.37400635     12.27374256    -11.98923181
  H     16.66024594     14.08911750    -13.47718419
  H     15.58444603     11.58409256    -17.69106237
  O     14.61345261      9.42650866    -12.45515810
  H     20.44178399      7.90459053    -13.97874699
  H     14.80810523     10.35475975    -18.21651263
  O     18.50531678     12.19242368    -15.24932618
  H     21.20003432      7.77262484    -12.63767542
  H     17.05891319     10.92949221    -10.93394819
  O     14.72051300     10.11549212    -15.12055252
  H     15.35665914      6.48525736    -16.82160852
  H     16.18079622      9.84462429    -11.62407837
  O     18.72863243      6.19490368    -16.71459862
  H     14.49783172      7.49187645    -17.63295175
  H     12.58407012      9.19577604    -17.39508920
  O     16.27322513      6.33376867    -15.20350329
  H     14.28528036     11.31615761    -12.05611278
  H     13.83654557      9.44105905    -16.52332728
  O     17.88202499      7.34556418    -11.61275577
  H     15.14856183     12.43400884    -11.43457414
  H     17.18154768     13.33273796    -10.03593767
  O     20.48259242      8.08259027    -15.67730323
  H     14.73512620      8.46903295    -12.43915858
  H     17.22784687     13.16218166    -11.57357620
  O     17.11856078      8.91593371    -15.45079888
  H     14.56578386      9.67576642    -13.39044006
  H     19.36784562      9.47615119    -13.29472058
  O     15.55465934     10.93461124    -18.40720674
  H     18.57570392     11.52353765    -14.54960606
  H     18.10546133     10.14379768    -12.69337137
  O     17.05370373     10.01424167    -11.23995590
  H     19.09110589     11.87351480    -15.94465836
  H     14.18169786     14.79607600    -13.91455527
  O     13.53476679      9.11468390    -17.38742526
  H     15.54025821      9.60405865    -15.21994763
  H     14.56390565     13.42766643    -13.30088984
  O     16.91267791     12.75647360    -10.74608429
  H     14.96267472     11.01469584    -15.37759159
  H     16.74868753     12.39881029    -15.81677157
  O     18.68367628     10.13470044    -13.46777437
  H     18.36137751      6.33041898    -17.59603612
  H     15.43275390     13.14328333    -15.44955617
  O     14.80514855     14.07820261    -13.98426840
  H     17.97143857      6.01620459    -16.14376120
  H     20.69463766     10.87982765    -17.77332568
  O     15.81477868     12.49401208    -16.05327789
  H     15.90918520      6.28217082    -14.31408438
  H     19.29518001     10.25574012    -17.57118446
  O     20.05614694     10.64428156    -17.10438806
  H     16.62146194      7.23711390    -15.28307276
  H     17.29902975      6.47478000    -19.97115946
  O     17.35771781      6.91958070    -19.13060437
  H     18.71441983      7.40272941    -12.09614334
  H     16.49289878      6.81389909    -18.69252152
          69
 Energy    -249.35442663128137     
  O     15.16239927     12.51692547    -14.76439741
  H     16.10191146     12.30833822    -14.73236462
  H     12.38013850      7.79489472    -16.34027792
  O     13.83258304      7.04492672    -13.68729644
  H     14.80342488     12.01111100    -15.50837717
  H     16.22519727      8.80348118    -15.17084927
  O     18.04327337      7.47099892    -12.04396806
  H     14.37177424      7.74672060    -14.08743773
  H     14.92769444      9.63763829    -15.29818800
  O     18.00051105      9.03200775    -15.89871430
  H     13.38203977      7.44969491    -12.93639769
  H     14.08454770     12.45558335    -13.40700569
  O     11.69726239      9.55887116    -16.23506355
  H     17.40385793      6.86677586    -12.45202259
  H     13.10212622     13.23675868    -12.50424072
  O     15.27273757      8.59298455     -8.92359391
  H     17.98605833      7.34525822    -11.08877220
  H     16.30070894      5.75132646    -10.07252924
  O     12.73728034      8.44891095    -11.54893609
  H     18.69448774      8.62117474    -15.35988550
  H     15.80786599      5.26190050    -11.44914520
  O     16.80639579      9.90429873    -12.54927534
  H     17.96552892      9.95179891    -15.60456051
  H     12.33156292     10.96817909    -13.32273807
  O     15.03630297      6.47111164    -17.77961565
  H     11.71041976      9.77085479    -15.28367768
  H     11.98039981      9.52765918    -12.90828303
  O     13.35912102      6.55490862     -9.57833380
  H     10.83196649      9.79712893    -16.55699250
  H     19.24388695      7.67534858    -13.37916421
  O     17.07377354      6.16453859    -15.83975690
  H     14.54969009      7.95957879     -9.01439425
  H     20.32931198      7.05387568    -14.27342837
  O     12.83381925      6.94508372    -16.29131669
  H     15.04482415      9.34256331     -9.48817928
  H     15.32695924      6.11901419    -13.32885460
  O     15.40431687      9.03117590    -14.71731380
  H     13.39215640      9.12766495    -11.33020117
  H     16.58844292      5.74493922    -14.12790038
  O     13.45358858     12.36589851    -12.67042325
  H     12.79632671      7.78097069    -10.85454497
  H     16.74554391      7.68897392     -9.15227068
  O     15.57898822      5.28456858    -10.51109942
  H     16.20568185      9.63455044    -13.26347940
  H     17.98827846      7.01126418     -8.52699277
  O     11.85303364     10.18057333    -13.60780674
  H     17.29797338      9.11208500    -12.29620371
  H     16.83150579      9.10884576    -17.51288177
  O     19.75382602      7.81124086    -14.19359756
  H     14.21983792      6.62068203    -17.27003203
  H     15.68942457      8.21613810    -18.03677227
  O     16.22138441      5.75924471    -13.23277394
  H     14.81804851      5.85320959    -18.47225106
  H     14.19016889     11.19139392    -11.40980496
  O     17.49520577      7.09517667     -9.33844319
  H     14.09731226      6.03550537     -9.94407195
  H     15.44705355     10.29904477    -11.43287652
  O     16.01624246      9.12585652    -18.02666923
  H     12.84587064      5.96013895     -9.03824406
  H     18.63742198     12.04155998    -14.25500323
  O     14.61879042     10.45505027    -10.95602187
  H     16.37680728      6.17800382    -16.50999614
  H     17.59624701     11.03541966    -13.71129380
  O     17.87098759     11.52948720    -14.50255913
  H     17.57299555      6.97423695    -15.97379249
  H     13.34081524     10.33902761    -16.65660824
  O     14.23478031     10.70187376    -16.63361187
  H     13.06401185      6.82377543    -15.35980786
  H     14.78877201     10.21049104    -17.25921113
          69
 Energy    -249.35416805136043     
  O      3.41521066      4.83497096      4.34535885
  H      3.21698713      3.96516047      3.97576937
  H      0.55001652      3.99562341     -1.15463221
  O     -0.35317666     10.05119702      4.45861530
  H      3.56176664      5.41201320      3.58718239
  H      0.38691208      6.71916824     -4.80170625
  O      0.76660106     10.13748873      1.90109192
  H     -0.54281022     10.72484673      5.10561237
  H      0.64203841      5.79431374     -3.59956067
  O     -2.12444324      7.98534790      3.58572475
  H      0.44449015      9.57991561      4.76626292
  H     -1.77273038      9.43200599      0.19634655
  O      3.02545821      3.96029551      0.62067315
  H      0.34809975     10.25495835      2.76223071
  H     -0.53617559      9.48362539     -0.73855492
  O      3.94185482      8.80170075      3.27543179
  H      0.08377415     10.19311189      1.21421773
  H      3.55076848      4.84089098     -0.97030958
  O      3.42060013      6.36659908      1.90418540
  H     -1.58605021      8.71094351      3.92541784
  H      3.49836102      6.29053025     -1.51123857
  O     -0.32857992      5.82176160      3.98645106
  H     -1.66274794      7.17299493      3.83001682
  H      2.31299221      5.56217783      5.47345921
  O      1.33020131      4.21315826     -2.92226543
  H      3.06050837      3.33601339      1.35539447
  H      1.76329725      5.72057333      6.91102283
  O      0.13396430      3.38384258      2.57772130
  H      2.09341783      4.01586420      0.35933538
  H      0.53799951      7.78704523     -2.43736420
  O     -0.86414496      6.51510729      0.01269170
  H      3.86531220      9.42953088      2.54775679
  H      1.49305148      8.13341037     -1.24766902
  O      0.35677458      4.08827976     -0.21475449
  H      3.98885729      7.93544836      2.85293615
  H      1.83469882      7.83248422      5.49981966
  O      0.38769492      6.69524166     -3.84789858
  H      2.50620014      6.68197854      2.00949559
  H      2.63098041      8.78465993      4.56346230
  O     -1.05411797     10.00099053     -0.10588488
  H      3.37304836      5.50745288      1.46275301
  H      3.50924584     11.28760878      0.74539401
  O      3.49472802      5.36482757     -1.78149285
  H      0.13110443      6.37887680      3.33912072
  H      2.38728779     10.36495490      1.27689438
  O      1.63563898      6.00960280      6.01158631
  H      0.22320324      5.83086135      4.77840189
  H      0.28528308      7.02840057      1.31225576
  O      0.58854777      8.22247418     -1.57412430
  H      2.14189296      4.63394760     -2.58239490
  H      0.87576504      8.27924755      2.02665370
  O      1.86575466      8.73096594      5.15333903
  H      1.60482472      3.43777104     -3.40517171
  H      1.70658760      2.74154636      2.89741857
  O      3.29785776     10.37656646      0.93200041
  H      0.03067479      3.56289874      1.63559934
  H      2.63988531      1.54841724      3.22537580
  O      0.89057344      7.31459335      2.00889322
  H     -0.13078878      4.18074416      3.05569275
  H      3.33958983      8.83921407     -0.17206250
  O      2.63979730      2.47057647      2.98521027
  H     -1.66837200      6.96165705      0.30534233
  H      3.32701877      7.38343701      0.29023766
  O      3.20509154      7.93734425     -0.49158952
  H     -0.41637740      7.09771447     -0.61955387
  H     -2.67912395      8.08140661      1.94759436
  O     -2.92005067      8.10610182      1.00378047
  H     -0.14579434      4.91312903     -0.13023914
  H     -3.87223326      8.09376859      0.96248607
          69
 Energy    -249.35383859645947     
  O      1.57321075      2.78761183      2.81594598
  H      2.09172069      3.45207018      2.34756479
  H     -0.78468628      6.59548868     -0.71969544
  O      1.17011810      8.64124914      5.48387114
  H      0.99249949      2.39500772      2.15190066
  H      1.36209582      8.13293273     -2.24130760
  O      2.42778424      9.20144050      3.05081809
  H      1.55481962      7.74430834      5.48051307
  H      2.39147539      8.14802620     -1.07659423
  O     -1.29831279      8.41383950      4.05203699
  H      1.28817230      8.98972973      6.36309370
  H      1.22563281     11.30282795      0.85975668
  O      1.26874322      3.84024275     -0.87169652
  H      1.96402858      9.93257437      2.61142172
  H      0.07868844     10.87715966      1.81405093
  O      4.25634534      5.95927863      3.36656740
  H      2.07291477      9.11959341      3.94412980
  H      2.48623835      4.69729558     -2.04910991
  O      2.68469739      4.91706993      1.23458712
  H     -1.36687618      7.46556979      3.88289631
  H      3.39668536      5.94258461     -1.92606306
  O     -0.96357838      5.69087309      3.31535324
  H     -0.50592018      8.53180449      4.59053089
  H      0.33019081      3.32831086      5.69190254
  O      0.77972941      6.79516556     -3.44141581
  H      0.86157749      3.06568575     -0.46498839
  H      0.89890730      3.47601910      4.26043605
  O     -1.69812587      4.19828910      1.00490999
  H      0.56341163      4.49755050     -0.96909738
  H      2.05738989     11.90199730     -1.59139330
  O     -0.54583194      8.15586519      0.11032769
  H      3.88748847      5.43616621      2.64458852
  H      1.72432239     10.44891930     -1.21578138
  O     -0.73519908      5.77311808     -1.23008759
  H      4.58059458      6.76614731      2.95042509
  H      2.99953808      6.09029001      4.70172438
  O      1.68455266      8.65699547     -1.49763725
  H      2.08575065      5.61522957      1.55188570
  H      1.71575994      5.41295710      5.26110263
  O      1.01291908     11.11448952      1.78442141
  H      2.24571146      4.48042597      0.49149187
  H      3.96045938      8.76228596      2.33085427
  O      2.92331424      5.39184549     -2.56148555
  H     -0.59544392      5.08811333      3.97336029
  H      5.45824792      9.04986179      2.07519144
  O      0.50646157      3.96567138      5.00521052
  H     -0.20361491      6.13172723      2.90485117
  H      1.57380060      7.69725236      2.40535907
  O      1.65097321     11.36752801     -0.91395462
  H      0.68577104      6.80652247     -4.38999694
  H      0.51264367      7.36885700      1.32154871
  O      2.26009888      6.20612015      5.31498907
  H      1.57422183      6.26716195     -3.24190586
  H     -0.68875049      1.22154495      0.54939331
  O      4.76475782      8.41808358      1.90348822
  H     -1.55252536      4.73629419      1.79456157
  H     -0.78184733      2.73869416      0.85289697
  O      1.09371724      6.97326470      1.98472100
  H     -1.56016857      4.76752255      0.23913293
  H      3.39598663      6.30302621      0.16968803
  O     -0.16181211      1.99852788      0.71303342
  H      0.17629345      8.52886218     -0.41420561
  H      4.18700967      7.60556969      0.30512937
  O      3.70197465      7.06832966     -0.33440523
  H     -0.96143804      8.85889091      0.62464598
  H     -2.45749563     10.45823863      1.94722892
  O     -1.61685271     10.01224762      1.89291043
  H     -0.40057117      6.03943591     -2.09492017
  H     -1.53681306      9.46312614      2.69423568
          69
 Energy    -249.35347346229125     
  O     13.94863082     12.56856881    -14.06099163
  H     14.79514919     12.82658377    -13.67899501
  H     18.56097153      6.03378603    -13.93263915
  O     15.08159317      6.38989475    -14.07225983
  H     14.16223581     12.05118355    -14.85052402
  H     16.46619210     11.74971844    -16.02136057
  O     18.29726695      8.28030992    -11.46015483
  H     14.91931962      6.40673192    -15.02688044
  H     17.15447108     12.44230808    -14.82879077
  O     19.32873547     10.27632585    -16.02389976
  H     14.26363441      6.54332899    -13.58269101
  H     16.70548555      8.73084241    -15.10044693
  O     12.99445091      8.89274498    -16.96860063
  H     17.90614783      7.48930885    -11.85931261
  H     15.57330936      8.15745821    -14.24088266
  O     14.46406347      7.98424624     -8.99893177
  H     18.96810108      8.57998191    -12.09091641
  H     11.39057269     11.65061455    -12.46367230
  O     13.04940674      7.13471073    -12.35811971
  H     20.00767247     10.67613418    -16.56123616
  H     12.75781005     11.69643508    -13.19067410
  O     16.51420765     10.29570241    -12.15759864
  H     18.63471598     10.94934355    -15.90888717
  H     15.45876083      5.19611604    -10.17722986
  O     15.02877714      6.86069723    -16.77339920
  H     12.26040769      8.80617962    -17.57104625
  H     16.72401350      5.90012490     -9.65374895
  O     13.57709193      5.63303807    -10.01727007
  H     12.62451063      8.83759605    -16.06875937
  H     12.23487156      8.10873427    -13.77691593
  O     17.74849075      7.97173218    -16.38110442
  H     14.25667486      8.63315418     -9.68562649
  H     12.00032428      9.62106369    -13.90384550
  O     19.17787188      6.22762694    -14.65963771
  H     15.42584288      7.96567362     -8.91991205
  H     19.83063716      7.91101079    -13.97961457
  O     17.32252913     12.05932323    -15.69805687
  H     13.10520031      6.49738450    -11.63588086
  H     19.76416467      9.39760711    -14.35032915
  O     16.02610362      8.98125616    -14.46015300
  H     13.39139436      7.96706167    -11.99878836
  H     16.53858749      6.04191492    -13.18017829
  O     12.13687050     11.11408417    -12.71629091
  H     17.16532396      9.70986181    -11.75338769
  H     17.09203189      5.51407413    -11.82497152
  O     16.42307457      5.16447655    -10.20073069
  H     16.33627613      9.90091185    -13.02748882
  H     17.95180855      7.74345167     -8.28047897
  O     12.04806073      8.80571994    -14.41763754
  H     15.90653697      7.25215778    -16.85742598
  H     17.73846109      7.92761426     -9.79801104
  O     19.92454120      8.79919974    -13.61150691
  H     14.38990315      7.56429677    -16.94376435
  H     14.83692904      9.87247273    -11.53702931
  O     17.34938664      5.92710786    -12.66093363
  H     13.83686134      6.46052388     -9.57155213
  H     13.31010131     10.14735147    -11.66499815
  O     17.30605890      7.64341191     -8.97579162
  H     13.00649925      5.16300686     -9.41478594
  H     16.61930454     11.99879218    -12.64127284
  O     13.96385392      9.55868271    -11.26684861
  H     18.23217323      7.29529443    -15.88747434
  H     17.01306804     13.47960366    -12.42847909
  O     16.60298257     12.88196592    -13.04818113
  H     18.33399895      8.73913005    -16.43384895
  H     14.15703411     10.33762449    -16.58456786
  O     14.80295753     10.85131869    -16.08717132
  H     19.66148225      5.42326814    -14.82894174
  H     15.19735449     10.21637522    -15.46878322
          69
 Energy    -249.35274569655215     
  O     13.95141541      3.08846717    -10.65262901
  H     13.95350093      2.14652398    -10.44250754
  H     17.04222858      4.83825103    -15.06128599
  O     12.20466005      3.48196936    -12.80895599
  H     13.36558571      3.19572983    -11.41647323
  H     14.68238292      7.19892769    -12.35801990
  O     16.61605955      3.26738783    -11.61425303
  H     11.65024812      4.19287505    -12.46654771
  H     14.26927473      6.07812715    -11.36175194
  O     19.16489816      6.62365656    -13.33106217
  H     12.80246477      3.89599936    -13.44998039
  H     13.44270606      4.71375163     -9.98764181
  O     11.96068668      7.71021056    -13.49492468
  H     17.03779274      4.10846754    -11.39628477
  H     12.36334799      5.74015448    -10.44750205
  O     13.02773861      0.79595712    -13.18733423
  H     15.72047979      3.29383829    -11.24990867
  H     14.50925991      0.63609776    -14.11949475
  O     14.07825117      0.28724776    -10.55418407
  H     20.06152419      6.40881431    -13.08861272
  H     15.33365027     -0.12124163    -15.18765209
  O     17.84825494      9.10632403    -13.84314250
  H     18.59787418      6.34780317    -12.59011558
  H     11.33895624      6.52516706    -12.38171807
  O     16.63800612     10.11209647    -11.63158467
  H     12.18438685      7.45510612    -14.39789693
  H     10.10697263      6.05351243    -11.57676687
  O     14.05550544      4.79639353    -14.35263071
  H     12.69491519      8.26607065    -13.20098317
  H     16.52861210      6.00447520    -11.74898722
  O     15.63361081      7.95702551    -15.26436685
  H     13.23430875      0.53332459    -12.28159137
  H     17.44867914      6.59936256    -10.67169279
  O     17.27273057      5.75464122    -15.25462664
  H     12.58689308      1.65287784    -13.12423184
  H     16.47645484      3.25734460    -13.44449878
  O     14.78946654      6.25982524    -12.15343629
  H     14.96735073      0.26158990    -10.95247486
  H     16.06816049      2.29860116    -14.58764659
  O     13.17626760      5.64324140     -9.93448947
  H     14.03462191     -0.42851635     -9.92662282
  H     16.71037208      1.39062366    -11.71118114
  O     15.39108850      0.56303177    -14.52626216
  H     18.39721983      8.32573327    -13.69689768
  H     16.24385281      0.39145334    -12.78769445
  O     11.01982661      5.84656751    -11.75970190
  H     17.17198921      8.84049414    -14.47864256
  H     12.77318530      6.48052608    -16.80019505
  O     17.41220870      5.91897422    -11.36095304
  H     16.86526252     11.02960352    -11.50516871
  H     13.42920447      6.01333795    -15.47897256
  O     16.31380942      3.21231430    -14.39817609
  H     17.14484787      9.80198242    -12.40392991
  H     14.08539436      6.85963747     -8.91062378
  O     16.45746218      0.46705095    -11.84954245
  H     14.80267650      4.20548407    -14.51076382
  H     14.32376162      7.54341481     -7.55833355
  O     13.10361524      6.79322954    -15.96194815
  H     14.30895221      5.35529183    -13.60042657
  H     16.95940560      8.78623206    -10.27110688
  O     14.64485914      7.50707377     -8.45644400
  H     14.79738893      7.71576643    -15.67702780
  H     16.27852980      7.89029217     -9.21110796
  O     17.10890047      8.03285005     -9.68771109
  H     16.18408032      7.15683279    -15.29085368
  H     14.88738360      8.66515546    -13.75192261
  O     14.45078855      8.88740174    -12.91485282
  H     18.02531887      5.97005058    -14.68957103
  H     15.07986027      9.40206481    -12.39487284
          69
 Ord_Energy   -249.352463    
 O   -2.06443524       2.91923118       3.13031650    
 H   -2.62349916       2.19758558       2.82125807    
 H   -1.24170792       2.51962018       3.43462944    
 O   0.858416855       1.79757965      -5.55927801    
 H   0.378501564       2.61011982      -5.76028347    
 H    1.76047611       2.07551289      -5.36028767    
 O  -0.439932227      0.721163213      -3.37243700    
 H   -2.78306305E-02  0.940979064      -4.22104597    
 H   0.286741585      0.529703140      -2.76201153    
 O    1.34741509       3.40853262       1.60251427    
 H   0.732524931       2.87758875       1.07126641    
 H    1.18176174       4.32737207       1.36283171    
 O    1.91212964       5.28312206      -4.61165142    
 H    1.07748282       5.09789944      -5.06163549    
 H    1.70094109       5.29387188      -3.66835189    
 O    3.39962840       3.02002501      -4.87026405    
 H    2.94242978       3.88009477      -4.84112072    
 H    4.14169359       3.12209868      -5.46034384    
 O   0.515419900       5.88755560      0.576284051    
 H  -0.385589838       5.64595842      0.862436414    
 H   0.651045918       6.79708433      0.826704323    
 O    1.59540796      0.580837548      -1.52319670    
 H    2.18028450       1.31355870      -1.76713347    
 H    2.03000093       9.65692699E-02 -0.811589181    
 O   0.586188972       1.97649372       3.81076646    
 H   0.931788445       2.54934144       3.10531187    
 H    1.01287329       2.24943233       4.61954165    
 O  -0.318025202       1.85971999       4.36151698E-02
 H   0.340476483       1.50322843     -0.566774189    
 H  -0.745711923       1.08806348      0.439282179    
 O   -4.47294998       1.19979894     -0.595335782    
 H   -3.82101393      0.640379429      -1.05960047    
 H   -5.29050064       1.13504446      -1.08081067    
 O  -0.572220623       4.31171656      -5.59068251    
 H  -0.865715146       4.05345964      -4.69955111    
 H   -1.34661508       4.61074400      -6.05975389    
 O   -2.57108426       3.29322529     -0.753315926    
 H   -3.31040597       2.67661762     -0.715000391    
 H   -1.78584611       2.80912256     -0.448300540    
 O   -3.73476481      0.789593518       2.07379031    
 H   -4.07850552      0.961880386       1.18297279    
 H   -4.46552229      0.456004500       2.58982825    
 O   -1.49270523     -0.499959290      0.920660198    
 H  -0.741848052     -0.662764192       1.51292872    
 H   -2.23729324     -0.206425160       1.45894647    
 O   0.724248528     -0.554793537       2.48632622    
 H   0.715038419      0.253069460       3.01461172    
 H    1.52481806     -0.523045540       1.94755137    
 O   -2.52779365     -0.275179356      -1.70169485    
 H   -2.06068468     -0.529197395     -0.893567622    
 H   -1.86122072      -1.23701000E-03  -2.34373784    
 O   -1.91082335       5.03538179       1.32877779    
 H   -2.28925180       4.58624983      0.561992824    
 H   -1.96182573       4.38929415       2.04828382    
 O    1.11641014       4.73440838      -1.94455647    
 H   0.895360887       5.17627335      -1.11652970    
 H   0.320096225       4.29160738      -2.26898742    
 O   -1.11510026       3.41525412      -3.06097174    
 H  -0.896264851       2.47623730      -3.15087152    
 H   -1.75726247       3.48500299      -2.34263468    
 O    3.72342753       2.24664831      0.631064951    
 H    3.71121716       2.50333047     -0.300523221    
 H    2.98829961       2.72161007       1.04213154    
 O    2.98901176     -0.361036956      0.756531835    
 H    3.33216310      0.550509632      0.776135802    
 H    3.74416494     -0.941905320      0.800762296    
 O    3.12009287       2.81889725      -2.07737803    
 H    3.36109328       2.81306767      -3.01161289    
 H    2.45972204       3.51965523      -1.96892262    
          69
 Energy    -249.35235225484763     
  O     12.08442327     10.79311915    -14.76445362
  H     12.46035428     10.17828363    -15.41063177
  H     16.07551598     10.97779770    -16.51833402
  O     15.94472191      6.37841478    -13.19400221
  H     12.71460843     11.51848036    -14.68862822
  H     14.53960412      8.87173924    -14.88879125
  O     17.53122773     10.48769016    -11.71430239
  H     15.26804272      6.43943612    -12.50661942
  H     15.42838037      8.03123053    -13.93404336
  O     12.76553331      6.23603701    -15.96865538
  H     16.75111414      6.78010751    -12.84281613
  H     10.18259727      9.57557375    -12.59120569
  O     14.88178525      9.13921857     -8.63922169
  H     16.61321819     10.71733620    -11.92770406
  H     11.43762300      9.90489262    -13.43340116
  O     13.97689234      6.76770870    -11.27843650
  H     17.58650969     10.42309945    -10.75330707
  H     17.85527779      8.15710344     -9.29584759
  O     14.97370622     10.98746791    -12.50964377
  H     12.52215787      6.39168798    -15.03728867
  H     18.07735629      7.26893200    -10.53213389
  O     17.34756571      7.32801776    -17.08981713
  H     12.10849423      5.64574731    -16.32719645
  H     11.69784881      7.62247030    -13.20598813
  O     15.38843592      6.32112699     -8.89695623
  H     14.23841783      9.33065769     -9.33491331
  H     12.71163651      6.59811637    -12.66909646
  O     15.56917082      5.76567723    -15.83863952
  H     14.94768293      8.17734951     -8.59513359
  H     19.20896811     11.66575963    -14.20703511
  O     18.95542651      8.33601620    -14.89887594
  H     14.38453641      6.48553603    -10.45048014
  H     18.17446799     10.92322551    -13.33757561
  O     16.22057804     11.73434405    -15.93935167
  H     13.78422112      7.71122154    -11.17987613
  H     18.56897201      7.84100142    -13.20008211
  O     15.19216422      8.93133726    -14.18286224
  H     14.67031602     11.73305995    -13.03753855
  H     17.89815769      8.68716194    -12.09952798
  O     11.10403146      9.35650822    -12.70014865
  H     15.05391082     10.23427592    -13.12480038
  H     16.49398737      9.77493706     -8.81476395
  O     17.84567306      7.23939406     -9.59388234
  H     17.93198490      6.76586922    -17.59210924
  H     17.70291128     10.49666678     -8.17404034
  O     12.11276389      6.77435033    -13.40556956
  H     16.70604829      6.74008831    -16.64946913
  H     16.36700377      8.75773696    -17.52019380
  O     18.44536814     11.09437984    -14.25441681
  H     16.29654471      6.56658613     -9.15095905
  H     15.93761044      9.70109785    -18.66626060
  O     18.17178960      7.78630969    -12.31880559
  H     15.46165023      5.60877172     -8.26801970
  H     12.46093973      9.45855735    -11.41674274
  O     17.42767425     10.01871282     -8.95157982
  H     15.74033728      5.83720770    -14.88715941
  H     13.88238508     10.06136957    -11.43081403
  O     15.78611936      9.50267079    -17.74498609
  H     14.61341946      5.83354912    -15.94234452
  H     14.87763808     12.42855785    -15.07327958
  O     13.29572837      9.47304294    -10.93299931
  H     18.78235237      9.28159374    -14.80810055
  H     14.09531122     13.70548036    -14.68654535
  O     14.14846197     12.76805215    -14.52310900
  H     18.39024756      8.02660632    -15.61523733
  H     13.15406901      7.99991050    -16.39237629
  O     13.37493453      8.94046221    -16.38836268
  H     16.96851098     11.50179936    -15.37444547
  H     14.13441791      9.08235622    -16.96703769
          69
 Energy    -249.35186045339094     
  O     14.84325318      9.08059531    -12.08131747
  H     15.50136824      9.07357275    -11.37209178
  H     16.35032917      7.61006658     -5.63189832
  O     14.25721329      5.00897544    -11.13617366
  H     14.03327509      9.43701177    -11.68572458
  H     13.86963878      7.66202370    -12.62613932
  O     18.71992783      6.63337220    -12.90145055
  H     13.82790182      5.63701979    -11.73424778
  H     12.40554780      7.13787626    -12.73996025
  O     17.59833719      4.51899810     -9.72280505
  H     15.11842296      4.80353616    -11.52240737
  H     18.86131352      6.97751315    -11.07682572
  O     16.65757387      8.01797393    -13.98329757
  H     19.44237416      6.59693835    -13.52275398
  H     17.94422877      7.74618689    -10.10506248
  O     17.12320773     10.01762551     -7.44299126
  H     18.04427370      7.21858278    -13.28848198
  H     17.41944418      5.27656862    -12.59037678
  O     16.15289504      4.88881413     -7.41778172
  H     18.01579740      5.38934369     -9.79683238
  H     16.14640899      4.85646422    -13.32701477
  O     16.52369656      8.84235374     -9.90074209
  H     17.31799168      4.29645497    -10.61474924
  H     12.56347476      7.22353216     -4.93132451
  O     14.96391174      6.77066987     -9.10263440
  H     16.05785666      8.51920847    -13.41481224
  H     13.19285728      6.36300968     -6.05145897
  O     12.69640889      8.15953576     -8.36923069
  H     16.13218844      7.30631359    -14.36822335
  H     12.25535666      3.06141456     -9.49734744
  O     10.97069920      6.38635070     -9.69408234
  H     17.13800122     10.89780699     -7.07776029
  H     13.12011730      4.25022029     -9.96977293
  O     15.75071899      8.34216095     -5.82169117
  H     16.56794212      9.47640267     -6.85232381
  H     11.79940039      9.11753646    -11.24522456
  O     13.32722911      6.91352103    -12.91903479
  H     16.67774826      4.62378064     -8.18834730
  H     12.52457083      9.28599088     -9.89959964
  O     18.67053283      7.10561119    -10.14000535
  H     16.75203156      5.29134583     -6.77690276
  H     18.35681522      6.06577990     -4.94387996
  O     16.66135107      4.68048955    -12.52850794
  H     16.70774418      9.39349651     -9.13020743
  H     18.31248242      6.84453743     -6.28112905
  O     13.10339750      7.27330832     -5.71549049
  H     15.95963368      8.11471208     -9.59087219
  H     13.04315570      4.49430112     -7.55958418
  O     12.45125962      3.97838636     -9.31979752
  H     15.36411608      6.21409387     -8.42236065
  H     14.41521618      4.68218578     -6.89093692
  O     12.47578765      9.63891770    -10.79826325
  H     14.74551669      6.18567708     -9.83879126
  H      9.87653560      7.74028460    -12.33998617
  O     17.77661147      6.32546876     -5.65403276
  H     12.67736246      8.04983981     -7.41210060
  H     10.77211333      7.14614642    -11.22422480
  O     13.46371734      4.78491496     -6.74269834
  H     13.50284082      7.70232957     -8.65383784
  H     18.54529903      8.69778891     -7.46748573
  O     10.78359406      7.63562096    -12.06767396
  H     11.48629305      7.00475675     -9.15742958
  H     19.09868777      7.57520475     -8.37316664
  O     19.05905515      7.88057182     -7.45716248
  H     11.35042873      5.51470093     -9.53721756
  H     14.34005509      6.10635959    -14.13518053
  O     15.05374892      5.71402315    -14.66715339
  H     14.85285908      7.99733501     -5.75650923
  H     14.66199929      5.43579749    -15.49098264
          69
 Energy    -249.35182018072507     
  O     15.41720823     12.23135362    -12.42127925
  H     15.99221916     11.88932652    -13.11876932
  H     16.36786672      8.70290426    -16.65301136
  O     14.89708651      6.82973917    -14.60916791
  H     15.84034695     11.99035343    -11.58905377
  H     19.19410188     10.03228338    -12.00581074
  O     14.53258863      6.43815289    -10.38285281
  H     15.02239653      6.09034240    -14.00128041
  H     18.67612017      8.96442437    -11.03293683
  O     18.03594226      7.25500969    -11.20440095
  H     13.99431681      7.15408688    -14.48830441
  H     16.88351439      8.12619812    -12.40367233
  O     15.52942015     10.44229380    -16.69631668
  H     14.73067579      7.38570390    -10.37832236
  H     15.80147699      7.98229210    -13.53256511
  O     11.81927589      6.67715921    -10.78527726
  H     13.56888581      6.37174880    -10.43460420
  H     13.73773391     11.97961498    -12.78896412
  O     12.36389997      7.82330251    -14.09475748
  H     18.25206025      6.52667688    -11.79893907
  H     12.35747578     12.64109556    -13.00790260
  O     14.90510471      9.18514949    -10.61352633
  H     17.70407952      6.85796398    -10.38667729
  H     13.98338496      3.99064306    -13.05264121
  O     18.82499593      7.33012583    -14.73740397
  H     14.66195120     10.34354184    -16.26349153
  H     13.36386320      2.74934481    -13.71264946
  O     11.11616415      5.42963113    -13.28552405
  H     15.37460934     10.90402410    -17.51569545
  H     13.03480420     10.80942306    -14.63759174
  O     18.20367122      5.25596759    -13.15203050
  H     11.80910276      7.61683743    -11.00902809
  H     12.82162146      9.35490992    -15.09628373
  O     16.72456860      7.82942294    -16.45826010
  H     11.48927899      6.21622805    -11.56557665
  H     16.79743110      5.93725267     -8.07782882
  O     18.84998906      9.91302550    -11.11311843
  H     12.38037303      8.31799224    -13.26230412
  H     15.97963272      6.04919615     -9.37564980
  O     16.21151338      8.59904378    -12.91280092
  H     11.84563638      7.02619910    -13.93141732
  H     16.38244902      4.99347004    -12.72174970
  O     12.81226741     11.80357311    -13.03721442
  H     15.29700985      9.03745250    -11.49028331
  H     15.19314623      5.47346798    -11.81483020
  O     13.14290282      3.59807840    -13.33753878
  H     15.43296997      9.88553712    -10.21595931
  H     20.18318040     10.55578349    -14.35888063
  O     13.18320568     10.20524076    -15.37543192
  H     18.15343948      7.51430155    -15.41226246
  H     18.66320611     10.41301748    -14.11779864
  O     16.88419001      6.01566576     -9.02425010
  H     19.14975702      8.18412130    -14.43557325
  H     12.35749084     10.21119558    -12.13823606
  O     15.42527815      4.96127345    -12.60290035
  H     11.80451824      4.74356734    -13.32435466
  H     13.21811606      9.30126927    -11.25060410
  O     19.53174528     10.03732677    -13.89300170
  H     10.28777911      5.00141783    -13.48527750
  H     17.03400514     11.76118657     -9.31258282
  O     12.38070609      9.33399148    -11.73618646
  H     18.43537570      5.96741464    -13.77868800
  H     17.51863891     10.81188751    -10.43103963
  O     16.73396389     11.25819438    -10.06466715
  H     18.84355230      4.56088063    -13.27965145
  H     16.52279964     10.78531023    -15.18733829
  O     16.94964615     10.83447193    -14.32286805
  H     16.04030014      7.38478372    -15.93738737
  H     16.67159668     10.04621779    -13.82714462
          69
 Energy    -249.35132032039553     
  O     18.05684800     14.05115887    -17.07787769
  H     18.99631304     13.95538078    -17.27651502
  H     18.98180165     11.56243150    -14.92665187
  O     22.58734785     11.57229905    -13.80814692
  H     17.97282047     14.87151614    -16.57536493
  H     18.43728090     12.55853560     -9.79859088
  O     17.77936698     15.24239512    -10.93618883
  H     22.29432005     11.09674230    -13.02353112
  H     17.24179779     12.49160369     -8.81912573
  O     15.27449287     12.33862903    -14.06474961
  H     22.42838047     12.50753012    -13.61514546
  H     18.16842932     18.45694612    -13.00041173
  O     20.14327440     12.44964917    -10.04835058
  H     17.58405339     14.46607861    -10.39765098
  H     17.74889059     19.52987400    -14.03353779
  O     16.66899255     11.00944458    -11.86756191
  H     17.46803155     15.02616831    -11.82736048
  H     19.63366414     15.16064847    -10.95744459
  O     21.37208566     11.50951961    -16.29957057
  H     15.64854255     12.16294523    -14.94320980
  H     20.91532615     16.02259108    -10.88415996
  O     20.82040472     15.79301844    -15.37789853
  H     14.32681505     12.26428254    -14.15042952
  H     18.15874237     10.19981011    -12.38671144
  O     18.34258234     17.97165689    -11.33312587
  H     20.50204033     13.31223011    -10.29274592
  H     18.94557700      9.97092038    -13.70982739
  O     21.61636446     14.12848854    -13.30722914
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  O     16.43307260     11.96458847    -16.57170333
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  H     16.82860798     11.64179694    -11.15547639
  H     21.12856178     17.38265143    -14.41928910
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  H     21.87301425     11.46173679    -15.47175753
  H     20.11237100     18.44608968    -13.96565630
  O     18.19467355     18.69178807    -13.94559978
  H     20.53319365     11.06292912    -16.13541214
  H     17.65112204     15.63069028    -14.60847432
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  H     19.86379431     15.93256368    -15.32365080
  H     18.01646354     17.11036826    -14.90443679
  O     19.02993160      9.97327141    -12.74795243
  H     20.96387353     15.20511081    -16.13011021
  H     21.22885266     17.94791645    -12.10288742
  O     20.88740357     13.89183182    -17.44502098
  H     18.04214942     17.08620349    -11.08872430
  H     21.86743375     18.42182167    -10.77513864
  O     21.01601582     18.13672542    -13.82607863
  H     19.28310716     18.00340366    -11.11855133
  H     20.56438934     10.08191940    -11.91508796
  O     18.05601735     16.21646922    -15.26558672
  H     21.34192188     14.52067504    -12.46742983
  H     21.75352715      9.53105920    -11.09377126
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  H     21.42144923     14.76357858    -14.00967539
  H     19.22017352     11.95404114    -12.99196999
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  O     17.08127618     14.39151759    -13.45812002
  H     17.96349230     10.97304500    -15.91115134
  H     17.86400423     13.81531917    -13.49206582
          69
 Energy    -249.35095667504999     
  O     -7.44615922     -2.63794556      6.09886808
  H     -6.56787157     -2.28117785      6.28277770
  H     -3.26903542      1.73682012      2.40196156
  O     -9.95519855     -2.79036651      2.56737403
  H     -8.07134486     -1.96362507      6.38697698
  H     -6.82317068     -0.82105920      3.07557041
  O     -7.70991838     -4.07000266      3.80884719
  H     -9.25144585     -3.31658729      2.96374307
  H     -7.34496936      0.60950670      2.72118892
  O     -5.46952196      0.84227063      0.26369971
  H    -10.11140033     -2.06239534      3.18448326
  H     -4.54036287     -1.35379499      5.61992785
  O     -6.61783118      0.81021409      5.94415591
  H     -7.64351517     -3.58759624      4.65249608
  H     -4.22460557     -1.57536048      7.11942443
  O     -5.53384018      5.45633810      1.18515146
  H     -7.67763627     -4.99909626      4.02089802
  H     -1.23274007      3.32624346      1.94776136
  O     -9.00546336     -0.29961634      6.82969351
  H     -5.74647835     -0.03295456     -0.02727141
  H     -2.61920890      3.80704508      2.44478670
  O     -4.00941475     -1.29085778      3.99345068
  H     -6.28090241      1.26945255      0.58484619
  H    -10.64992430      4.65120808      3.03454309
  O     -4.26673063      3.39534756     -0.05789256
  H     -6.83496515      0.52817611      5.03877456
  H     -9.22892529      4.07549169      2.94496292
  O     -9.92139731     -0.44193908      4.12828865
  H     -5.96949160      0.17214416      6.27037435
  H    -10.36180703      0.68453812      2.68449884
  O     -6.76872467     -1.64701808     -0.23195920
  H     -5.56644381      6.21023832      0.60242152
  H    -10.43290799      2.14872700      2.19335044
  O     -4.01034422      1.16571574      2.63896656
  H     -5.13097569      4.72850535      0.67838371
  H     -6.60315759     -3.02047901      2.76846658
  O     -7.27521629     -0.04457259      3.42767312
  H     -9.31624126      0.02200741      7.67219669
  H     -6.26029380     -2.22630108      1.45887069
  O     -4.92689255     -1.35177310      6.51553523
  H     -8.20983530      0.21363185      6.61163171
  H     -9.57777365     -1.78112822      1.11720990
  O     -2.16722146      3.15096990      1.88407707
  H     -3.89948284     -0.42566663      3.57742766
  H     -9.78075994     -0.30551785      0.72794069
  O    -10.16722882      3.84583854      2.86527075
  H     -4.60076283     -1.78312169      3.40767107
  H     -4.31896578      5.21137092      2.67589872
  O    -10.33126101      1.23479511      1.88946466
  H     -3.45223333      3.29388768      0.45043995
  H     -4.28727646      4.25067610      3.87879474
  O     -6.03523285     -2.33538899      2.39133323
  H     -4.65014788      2.51150410     -0.12480802
  H     -5.83028481      2.29545432      5.07804564
  O     -9.31691308     -1.10777663      0.46974042
  H     -8.99891367     -0.36777781      3.83494506
  H     -5.00540131      2.22926097      3.77197696
  O     -3.73193624      4.83229732      3.34213939
  H     -9.88050546     -0.38121810      5.08780690
  H     -7.57639318      2.72343094      1.86710592
  O     -5.46860993      2.83746774      4.36735515
  H     -6.79286501     -2.15659023     -1.03740315
  H     -8.61706560      1.64313989      1.45516438
  O     -7.67724994      1.86863652      1.43023720
  H     -7.69252438     -1.41300049     -0.02381576
  H     -6.77793625      3.77969816      3.49747011
  O     -7.38145371      4.22219410      2.88318311
  H     -4.49138104      0.97766973      1.82087437
  H     -6.83367272      4.75046495      2.28737340
          69
 Ord_Energy   -249.350159    
 O   -3.58774161     -0.285332978       4.21417522    
 H   -3.53434420     -0.359509468       5.17619991    
 H   -4.44049597     -0.647635281       3.94223309    
 O   -8.05163288       4.13088226       4.58444262    
 H   -7.51331663       3.65846133       5.24399137    
 H   -8.94874096       4.13017082       4.90695047    
 O   -4.47779274       4.12224483       7.67280483    
 H   -3.70414686       3.56499124       7.49711037    
 H   -4.33154964       4.94935608       7.20018625    
 O  -0.485848814       4.60024500      0.601189852    
 H   0.117656261       4.34404469       1.30997837    
 H  -0.527594388       3.84556246       1.03514001E-03
 O   -6.33570480       5.41617023E-03   6.24278116    
 H   -6.49124098      0.958690345       6.30274582    
 H   -6.44157362     -0.236846834       5.31563759    
 O   -2.87678528       4.55481577       4.27752018    
 H   -3.20679903       5.22748995       4.88416624    
 H   -3.49673033       3.80882406       4.30517149    
 O   -3.03105450       4.79642487       1.55699766    
 H   -2.14299560       4.85810804       1.17630553    
 H   -2.93015027       4.77604246       2.52016377    
 O   -1.63656437      0.856914282       2.72723460    
 H   -2.18117046       1.28986359       2.05566192    
 H   -2.23277020      0.294013321       3.23958278    
 O   -4.59366035       2.41949797       4.06714535    
 H   -5.20864058       2.53679132       3.33240938    
 H   -4.24280882       1.52227402       4.03774595    
 O   -6.31752539       2.80068159       6.18603659    
 H   -5.79843378       3.26667285       6.85840559    
 H   -5.69694996       2.63205028       5.46071482    
 O   -2.41872406       2.35436416       6.98346710    
 H   -1.76384568       2.38580275       6.27890921    
 H   -2.78736949       1.46304262       6.98536730    
 O   -4.14665270       6.40463257       5.93678761    
 H   -3.99340463       7.30655050       6.20503759    
 H   -4.91700983       6.41477633       5.34106064    
 O  -0.776108682       2.79637074       4.54647446    
 H   -1.07334864       2.08333850       3.96199870    
 H   -1.44074154       3.49968100       4.48904991    
 O    1.16504061       3.60352921       2.74577188    
 H   0.548655927       3.35898089       3.45576262    
 H    1.93607020       3.97159243       3.16999793    
 O   0.686954796       1.20534408       1.23884928    
 H    1.04464424       1.96968889       1.70687127    
 H   -4.06673513E-02  0.889381588       1.79487240    
 O   -5.57834291       5.69725275       1.42932987    
 H   -4.64117146       5.43591976       1.40345156    
 H   -5.73318768       6.24641609      0.665257335    
 O   -6.20658207     -0.836803019       3.43229532    
 H   -6.05189371     -0.262460917       2.66078687    
 H   -6.65832043      -1.61125243       3.10680270    
 O   -3.16746116       2.09750128      0.726503909    
 H   -2.46849513       2.04867864       6.11290485E-02
 H   -3.20304036       3.01988578       1.01490092    
 O  -0.806263685       2.11961341     -0.835505664    
 H  -0.503115952       1.81950831      -1.68784547    
 H  -0.213310957       1.72512531     -0.170539483    
 O   -6.67989874       3.24889445       2.27310658    
 H   -6.35381699       4.07439280       1.89207041    
 H   -7.26766634       3.49435878       2.99849510    
 O   -6.20875788       6.28535843       4.17264986    
 H   -5.98716211       6.18887949       3.23876238    
 H   -6.90324926       5.63942480       4.34953976    
 O   -3.72408199     -0.234258041       6.98504972    
 H   -4.68354225     -0.166753024       6.83237219    
 H   -3.60348654     -0.817625523       7.72964954    
 O   -5.65518522      0.856596351       1.38091612    
 H   -6.18148279       1.65576828       1.52661514    
 H   -4.79583645       1.16432798       1.06600380    
          69
 Energy    -249.34992874421678     
  O     10.43608643      9.06174539    -11.86221955
  H     11.12577821      9.45909050    -12.41975770
  H     15.74035509      5.14527738    -17.55448667
  O     14.23091156      5.95134445    -14.46728930
  H      9.75808072      9.72404777    -11.75373961
  H     17.91150235      7.79098813    -16.10676781
  O     15.93989461     12.17980360    -12.80421006
  H     13.46247817      6.50250167    -14.67841024
  H     18.26415374      6.58945241    -15.21281170
  O     15.16396774     10.59026602    -17.13620637
  H     14.68173622      5.74810248    -15.29663246
  H     14.35438045     11.44857071    -15.65389498
  O     12.19048201      7.69711777    -15.03389979
  H     16.14211529     13.02780203    -12.41829915
  H     14.64275193     12.00620523    -14.24144796
  O     17.12126267      7.29835482     -9.62124119
  H     16.79099023     11.73785505    -12.97448956
  H     16.78241094      7.45231621    -13.51069918
  O     14.25103815      5.26872439    -11.80439431
  H     15.13289040     10.97382683    -18.00859856
  H     15.31603547      7.31194925    -13.98053537
  O     14.87958697      9.73005754    -11.93641700
  H     14.70587352      9.73158139    -17.19088435
  H     11.59029437      6.51399673    -10.32336586
  O     13.97026662      8.17027398    -17.17473395
  H     11.46644597      7.23469955    -14.58648232
  H     11.29993738      8.01221480    -10.52306053
  O     17.06854263      5.00116748    -11.40863459
  H     12.33377693      8.51322651    -14.53571504
  H     18.24592686      8.19480579    -10.79152125
  O     17.24772478      9.50491602    -15.59373668
  H     16.17047188      7.42634237     -9.78444804
  H     19.68278967      8.72792616    -10.96516980
  O     15.61230142      5.81826931    -16.89141056
  H     17.21946137      7.19032202     -8.67812247
  H     11.34306987      3.99826077    -11.07150542
  O     18.00852349      6.82936014    -16.11355390
  H     14.25335918      5.45045101    -12.75681059
  H     12.51483680      4.90569350    -11.50618709
  O     13.93148758     11.79594878    -14.85888323
  H     14.35656061      6.11114421    -11.33995914
  H     18.40320077     10.01882738    -12.66493392
  O     15.97017443      7.95067185    -13.67100825
  H     15.32336358      9.13838155    -12.56650423
  H     18.01971020     10.34734192    -14.13288021
  O     11.79224332      7.39048110     -9.97265575
  H     15.21497691     10.61928118    -12.09877363
  H     18.72850290      7.18443866    -12.75262722
  O     18.86559212      8.57202300    -11.43506968
  H     13.24905116      8.00784242    -16.55244511
  H     17.96247564      5.83717360    -12.73004039
  O     11.55674674      4.88634584    -11.34624961
  H     14.51715103      7.37614429    -17.17404668
  H     14.60412280      8.44333688    -10.77660155
  O     18.18290158     10.74074052    -13.26350100
  H     16.11943579      4.89088585    -11.54853246
  H     13.56090424      7.57662227    -10.01085689
  O     18.33961232      6.50819907    -13.32004741
  H     17.15006177      5.65542760    -10.70483429
  H     13.26778730      9.80195799    -12.80236714
  O     14.49738451      7.63740115    -10.24924114
  H     16.63119128      9.95820664    -16.18142333
  H     12.83910714     10.66247897    -13.99492487
  O     12.52909244      9.95936024    -13.40568463
  H     16.70408633      8.99207595    -14.97557134
  H     10.69734259      5.93364140    -12.71407991
  O     10.34911318      6.59011856    -13.32940871
  H     16.49650536      6.14688642    -16.65035128
  H     10.22570562      7.39481231    -12.80974958
          69
 Energy    -249.34971070358520     
  O     20.71893743      8.91947039    -12.69776724
  H     20.78564162      7.98097703    -12.47995532
  H     19.58400999      4.02863416    -14.04912393
  O     20.27325583      6.27122571    -11.91346564
  H     20.29262140      9.32703889    -11.92971579
  H     16.36321718      9.23542120    -14.02668041
  O     15.22318809      7.74863015    -10.19136035
  H     20.51716791      5.35392494    -12.08472221
  H     17.92422411      9.36703759    -14.12427949
  O     13.13185872     10.62968637    -13.32096237
  H     19.37766020      6.39046108    -12.26490501
  H     17.48880946      7.63285660    -12.88955802
  O     19.47631886      9.05961282    -15.06745106
  H     15.77113400      8.52238720    -10.39285770
  H     17.03710921      6.19053928    -13.22332761
  O     11.57919862      8.58479822    -12.02086250
  H     15.82165594      7.03282769     -9.94757187
  H     14.45994821      8.20620458    -13.96254365
  O     18.10915147      3.31367763    -11.15000769
  H     13.67669072     10.14161281    -13.95134280
  H     14.97943427      8.16559484    -15.42291664
  O     13.91941752      7.13223240    -12.57214091
  H     12.48176745      9.99633398    -12.99137175
  H     18.02554210      6.18014801     -9.58809095
  O     20.50726636      3.55470311    -12.39518792
  H     19.98957789      9.03356538    -14.23847147
  H     17.32225625      6.14183536    -10.95956693
  O     16.58595669      2.95477491    -13.52399897
  H     19.95307391      9.62694620    -15.66702509
  H     13.90180777     11.34394836    -11.90963641
  O     15.45064904      5.35838083    -14.02365840
  H     10.65134716      8.44408844    -11.85553047
  H     14.14536497     12.56874637    -10.99612783
  O     18.90430025      4.23521223    -14.70035844
  H     11.97779397      8.86798295    -11.17718422
  H     20.01724373      6.70888511    -10.18689127
  O     17.17642328      9.33978741    -13.51444786
  H     17.75405024      4.06885398    -10.66566069
  H     20.43866760      6.79794810     -8.70157335
  O     17.60321149      6.70709592    -12.64008190
  H     17.50291602      3.14185827    -11.88250348
  H     19.42200417      8.83076362     -9.87239875
  O     14.74866803      8.76361154    -14.70129328
  H     14.40223212      7.31207029    -11.75224277
  H     18.42610962      9.86549524    -10.43449402
  O     17.25082115      5.82591984    -10.04395982
  H     13.02860846      7.48238023    -12.44946826
  H     15.44993471      6.52630849    -17.36215345
  O     14.29087527     11.62884488    -11.06368096
  H     19.68445414      3.41144449    -11.89174637
  H     16.61276661      6.73453428    -16.35841447
  O     19.71682445      6.97305204     -9.30025332
  H     21.06295048      2.79627770    -12.24126693
  H     18.77005335      7.36987424    -15.67218535
  O     19.36588316      9.65252828    -10.37300945
  H     16.03909633      2.22983784    -13.81532817
  H     18.58261469      5.82136319    -15.56795186
  O     15.64143590      6.75510914    -16.45734080
  H     16.08529305      3.77110055    -13.69554752
  H     13.69462305      8.75796316     -9.76559023
  O     18.26303466      6.62257704    -16.00739528
  H     14.83122622      5.86869285    -13.48308449
  H     13.37530347     10.22888372    -10.08923441
  O     12.96674235      9.39119205     -9.83730725
  H     15.45593184      5.75046373    -14.90601606
  H     15.89860179     10.68421581    -10.91945219
  O     16.61299419     10.03569956    -10.92589188
  H     18.13700785      3.72076084    -14.42366476
  H     16.84339359      9.87938507    -11.85508470
          69
 Energy    -249.34934171568443     
  O     16.21531026      9.96077548    -16.71630986
  H     16.35943070      9.51831771    -17.56046364
  H     21.08194714      9.62683335    -16.01211165
  O     16.94720118      4.30424724    -13.60648225
  H     15.27019716      9.91803040    -16.50234281
  H     17.64847412      8.30054740    -14.28267041
  O     15.78218421     12.94068999    -10.87925590
  H     17.49582938      4.86608297    -13.03810961
  H     16.64997853      8.77744846    -15.39481057
  O     19.24006574      8.33078093    -13.30072046
  H     17.05828976      3.40858985    -13.29503894
  H     13.61826397      9.90890696    -14.90753331
  O     15.39600513      6.36719485    -17.88918489
  H     16.06256861     12.62665553    -11.75102061
  H     13.47110632      8.66460653    -15.83108197
  O     15.41382320      9.74108159     -9.12420558
  H     14.92196291     12.53273230    -10.72209968
  H     15.95225317      7.72691180    -11.37189126
  O     14.91602139      7.89357192    -12.77830034
  H     19.02903120      9.02022040    -12.65391385
  H     17.24549738      6.99297432    -10.95367653
  O     16.59379448     11.46512075    -13.11694947
  H     19.70934958      8.72932724    -14.04532361
  H     12.35653719      6.43816271    -16.23249676
  O     14.28413825      5.45919642    -13.91394247
  H     16.06027377      5.97902088    -17.30360411
  H     13.59038894      6.24738033    -15.32497605
  O     17.40322086      5.74912246    -16.01814786
  H     14.61590407      6.51964407    -17.34220982
  H     16.94184703     12.23385917     -9.78498449
  O     18.57160830      5.98857607    -12.03705613
  H     16.15738262     10.34633688     -9.01028999
  H     17.95820000     12.26627434     -8.61729821
  O     20.22595678      9.39321439    -15.66291162
  H     15.78196619      8.93257938     -9.50110135
  H     17.61919660      9.17422691    -11.07323424
  O     16.81468319      8.10045245    -14.72418409
  H     14.45511863      8.74108302    -12.81094882
  H     18.13765560     10.55579527    -10.60467932
  O     13.67201580      9.60832767    -15.82361506
  H     15.56489948      7.92231390    -13.49997716
  H     12.74392270     11.32335275     -9.88085317
  O     16.63448573      7.68438238    -10.68147793
  H     17.11241593     10.91074670    -12.52037933
  H     14.13087851     10.64277767     -9.94271962
  O     13.23901257      6.76348698    -16.07061525
  H     17.12450305     11.56844108    -13.91949133
  H     18.64353519      6.86223435    -16.95193120
  O     17.54029871     11.68469671     -9.24579434
  H     15.12453823      4.99534138    -13.84166788
  H     18.38711648      7.94921090    -18.00688303
  O     18.16612005      9.92863378    -11.33756859
  H     14.38262682      6.26129098    -13.37921257
  H     13.67054920     10.75883307    -12.24746563
  O     13.51717430     11.22101587    -10.42928803
  H     17.13682527      6.57849749    -15.58766473
  H     14.88071051     10.83900783    -13.20821159
  O     19.03860477      7.64088755    -17.36496577
  H     17.32285868      5.07581435    -15.33580356
  H     18.90440145     10.84296152    -15.48421425
  O     13.99074837     10.46624990    -13.10918691
  H     19.34057627      5.68744280    -11.55764233
  H     17.45260389     11.02519306    -15.95630506
  O     18.13333971     11.40969130    -15.38245216
  H     18.85366449      6.77353288    -12.53766426
  H     16.64080547      8.48928787    -19.91519123
  O     16.79664163      8.39631944    -18.97974706
  H     19.82338288      8.77679277    -16.30098001
  H     16.24314377      7.65475756    -18.67235106
          69
 Energy    -249.34845841124195     
  O     16.03309883     10.81864574     -9.26703807
  H     15.14793531     10.67372404     -9.63025559
  H     13.29541464      6.07198812     -4.21437231
  O     15.22064875      4.18974732     -8.37225334
  H     16.66800198     10.56231067     -9.95123375
  H     16.88801786      6.92686779    -11.44611368
  O     16.68044367     12.31317808     -7.10467141
  H     15.13086381      3.26011436     -8.56335539
  H     16.48430414      7.46774404    -12.83416095
  O     12.87347848      5.22486790     -7.58900183
  H     14.33193717      4.51847221     -8.13776723
  H     16.04621958      7.07239459     -9.16390352
  O     13.63131428     10.14426159    -10.39489693
  H     16.55593431     13.24434597     -7.26775628
  H     15.91169889      5.53901524     -9.38907100
  O     17.72242596      9.92434371    -11.22978737
  H     16.41076880     11.84569130     -7.91500913
  H     18.77089589      8.94547954     -3.91245382
  O     19.77826795      9.49729130     -9.36324939
  H     12.41409888      5.86587580     -8.15141246
  H     18.16787418      8.43176792     -5.24194924
  O     11.78159229      7.15350052     -9.22396493
  H     12.94932162      5.62472040     -6.71651430
  H     16.17160327     10.47877814    -12.30845347
  O     15.74150522     10.45801693     -5.14461937
  H     12.99081658     10.17018939     -9.67301991
  H     14.66074875     10.59068691    -12.00569810
  O     11.99407969      9.83205455     -8.12948129
  H     13.71815466      9.21106338    -10.63947493
  H     15.01138712      8.47660243     -7.41252475
  O     13.72366004      8.94953573     -6.20322912
  H     17.59221969      9.04214170    -11.61163276
  H     15.96656995      9.21606239     -8.38465015
  O     13.59480253      6.41622430     -5.05164087
  H     18.51162648      9.85985323    -10.67731777
  H     18.31475795     11.34843965     -7.05742799
  O     17.22174467      7.40818692    -12.21476208
  H     20.70936301      9.66837968     -9.48395933
  H     18.90196081     10.21426899     -6.20787249
  O     16.18154197      6.36426045     -9.81339970
  H     19.52397486      9.92377303     -8.52612579
  H     16.66302054      5.85175079     -5.91862921
  O     18.29857449      9.22449075     -4.69224683
  H     11.73350817      8.04850758     -8.87090990
  H     15.79244073      4.79351875     -6.62640581
  O     15.29949647     10.49186206    -12.72295601
  H     12.39202213      7.19625041     -9.97219062
  H     14.60717130      7.00661784    -10.69197327
  O     15.78225707      8.35867926     -7.98137896
  H     16.00064702     11.17290079     -5.73963246
  H     14.07881287      7.51730760    -12.05653667
  O     19.02034313     10.69076103     -7.03808158
  H     16.56726407     10.04578643     -4.86406229
  H     19.28779925      7.65163988     -9.11547865
  O     15.92488713      5.24321691     -5.78318586
  H     12.57889083      9.55161981     -7.40466352
  H     18.23523814      6.54454130     -9.34275334
  O     13.85866360      7.44019493    -11.11920701
  H     11.26451425     10.29819903     -7.72909492
  H     17.05945151      7.68772459     -6.89680925
  O     19.02392350      6.76468156     -8.83767396
  H     13.62528649      8.11385793     -5.72851001
  H     18.38644160      6.96194592     -7.15449501
  O     17.78386010      7.22770043     -6.44590295
  H     14.37589764      9.49795820     -5.73864310
  H     14.57478388      7.96779727    -14.61049868
  O     14.83479313      7.98837320    -13.69392437
  H     14.44950828      5.98856479     -5.24179989
  H     14.98549859      8.92261484    -13.46230443
          69
 Energy    -249.34813597769812     
  O     16.26548963      9.94005558    -14.78897782
  H     15.70709817     10.68949097    -15.03280719
  H     12.64371377      8.57317393    -11.82428534
  O     16.12230254      6.69689958     -8.83253373
  H     16.06739898      9.72374199    -13.86541128
  H     13.15018728      8.61466517     -9.55477978
  O     14.67297333     12.14235710    -15.06558275
  H     16.71714248      6.24703236     -8.23844558
  H     11.62595721      8.35811597     -9.48198150
  O     13.87302422      5.80286994    -10.33888559
  H     16.61283208      6.85448806     -9.65830196
  H     18.83163866      5.68640986    -13.51940641
  O     16.23873148      7.26820383    -15.44883431
  H     13.93037402     11.95124008    -14.48027549
  H     19.58574049      6.50053958    -14.57111704
  O     18.97063643      9.87404407    -14.68179205
  H     15.24421779     12.75361703    -14.58128515
  H     18.06410809      7.65607031    -11.50981085
  O     18.66392062     12.18292637    -13.05470264
  H     13.26672197      6.54784458    -10.25244719
  H     17.14421064      6.47920343    -11.93265344
  O     19.47308343      8.52066535    -12.29291915
  H     14.61308438      5.99905593     -9.75176291
  H     15.18203483     12.16562715    -10.90324634
  O     14.34079738      4.52428554    -12.67764008
  H     16.24298252      8.22668194    -15.30906112
  H     15.24126106     13.13361803    -12.09871381
  O     12.71356548     11.54043186    -13.01076074
  H     15.32481718      6.99472793    -15.27755064
  H     19.07859020      7.17122171    -17.06705379
  O     13.73902052      6.66318445    -14.50451577
  H     19.17661722      9.14132971    -15.27223499
  H     17.96650589      7.28439117    -16.00392496
  O     12.94875862      8.75871981    -12.72274104
  H     18.00871597      9.99293975    -14.75384857
  H     14.71184095      8.92640802    -12.38216671
  O     12.39352568      8.22795463    -10.03221608
  H     18.83614557     11.79465764    -12.18954993
  H     16.10304254      8.37452039    -11.91105064
  O     19.66641323      6.14565501    -13.67635775
  H     18.91323719     11.51056226    -13.70116364
  H     16.72618446     14.59384367    -13.60510961
  O     17.29084160      7.14264265    -11.24253240
  H     19.71549588      7.64989323    -12.64141455
  H     17.23351591     13.16565137    -13.31292043
  O     14.63071315     12.70204209    -11.48686839
  H     19.28695983      9.05817512    -13.07647726
  H     16.04616884     10.29978722    -10.96001422
  O     18.92034125      7.39708242    -16.15360709
  H     14.15054494      4.95621395    -11.82598747
  H     17.26321968     10.86410061    -10.19892482
  O     15.64190606      9.15248963    -12.24750477
  H     13.91657373      3.67072217    -12.65412093
  H     16.07020505      5.01025713    -13.16255890
  O     16.43163150     13.70259373    -13.43608141
  H     13.36015623     11.94608462    -12.40488274
  H     16.69267412      6.08682288    -14.08793098
  O     16.30054255     10.84233025    -10.19527696
  H     11.92710043     12.07891995    -12.97055236
  H     19.33423906      9.88831077    -11.12630943
  O     16.89466625      5.46769273    -13.37148379
  H     13.37160189      7.37871752    -13.96963477
  H     19.89056842     10.85783481    -10.06269058
  O     19.13422638     10.69371951    -10.62144832
  H     13.81953101      5.90370252    -13.91541214
  H     15.18490255      9.78946765     -9.12303605
  O     14.60818013      9.10838093     -8.75334041
  H     12.78953441      9.69813678    -12.89050632
  H     15.15827696      8.32258990     -8.64349542
          69
 Energy    -249.34795356033686     
  O     16.95103062     10.39318649    -16.95741820
  H     17.82907737     10.78519102    -16.90399918
  H     20.03276839      8.08818993    -15.42193380
  O     15.30123116      5.78628444    -13.55931492
  H     16.91269874      9.74487539    -16.23601061
  H     16.54634406      7.69757862    -15.32897389
  O     18.73503594     13.78165773    -11.94577333
  H     16.08616284      5.86575249    -13.00592588
  H     16.28844805      8.74560818    -14.19652070
  O     14.28821272      7.07027380    -17.95406493
  H     15.61873503      5.71623576    -14.47037740
  H     15.27008899     11.04259102    -16.39115505
  O     17.14544386     10.83674181     -9.15790157
  H     19.00504131     14.62583904    -12.29822077
  H     14.73550676     11.57781836    -15.05601001
  O     15.30949430      9.30157499    -12.74498302
  H     18.68257696     13.16795675    -12.69717940
  H     16.38797832      8.87905261    -11.45797323
  O     18.48928579     11.78894982    -13.86102217
  H     13.57381779      6.72011408    -18.47823775
  H     17.29010653      7.70008909    -11.02779647
  O     19.23322448      7.73681629    -13.74046935
  H     13.88865639      7.67749794    -17.30283376
  H     13.19391879      8.32955131    -15.17138321
  O     13.24961953      7.56971673    -13.42347834
  H     17.08968140     10.00168924     -9.64958064
  H     13.62698706      9.58018069    -15.99035085
  O     16.22765312      6.08820604    -16.18958292
  H     16.83135840     10.65403296     -8.27535950
  H     18.88633858     11.55459999     -9.64436422
  O     17.75815602      6.12920096    -12.03838903
  H     14.46690676      8.87070823    -12.93140773
  H     19.47216232     12.58991945    -10.62389107
  O     20.12504864      8.41734814    -16.32512504
  H     15.27386886     10.23525594    -12.99623810
  H     18.53152748      9.44114256    -11.60348762
  O     16.87704749      8.51036248    -14.92501484
  H     18.89247454     11.60977404    -14.71845935
  H     19.63518949     10.49486989    -11.35395220
  O     14.45657789     11.17088314    -15.88524413
  H     18.76321657     11.07845949    -13.26266062
  H     17.02348585     13.34855730    -11.17050820
  O     17.07281930      8.61567437    -10.82088152
  H     18.43698438      8.03002775    -14.21449325
  H     16.42961829     12.24225442    -10.28192558
  O     13.30208078      8.67035089    -16.06523235
  H     19.47672604      8.46309425    -13.14836683
  H     18.85564684      6.09112013    -18.52814574
  O     19.69629976     11.80515231    -10.10735773
  H     13.93451875      6.87688976    -13.44867757
  H     17.87360631      7.26314770    -18.28372886
  O     19.29901544      9.86714642    -12.00902523
  H     12.48967543      7.19416474    -12.98747100
  H     15.68938603     12.33735830    -12.56572569
  O     16.19313990     12.92020940    -10.92588625
  H     15.52015699      6.32116918    -16.80762619
  H     16.60755694     11.87931690    -13.71886207
  O     18.47740636      6.63666241    -17.84325654
  H     17.05232820      6.11690128    -16.69095799
  H     19.84548613     10.14381657    -16.36191710
  O     15.68242782     11.92552912    -13.44205643
  H     18.34359153      6.59302910    -12.66008793
  H     20.30532639     11.53289685    -16.86012865
  O     19.62704401     11.09307145    -16.35458313
  H     18.23788701      5.36257043    -11.73318176
  H     15.79104501      7.98544440    -18.67393046
  O     16.66236266      8.35974575    -18.85497465
  H     19.61214681      7.81310189    -16.87589363
  H     16.72902316      9.16124528    -18.31714169
          69
 Energy    -249.34722434273169     
  O     12.01719067     11.16082509    -15.21292230
  H     12.51639303     11.88162802    -14.81083742
  H     18.51536607      9.50349019    -14.63729136
  O     15.62115013      6.71794147    -13.68283788
  H     11.56987847     10.68881227    -14.49970031
  H     16.56181923     12.18060219    -15.17193556
  O     16.92380217     10.41133965    -11.38481725
  H     14.86793980      6.64445715    -13.08151964
  H     15.85741569     11.97240088    -16.51817652
  O     17.43146959     10.94668530    -14.10743822
  H     16.38761617      7.00005853    -13.16455585
  H     14.56292070      9.35536537    -15.24293754
  O     12.76486015      6.87772364    -16.72481953
  H     16.87351463     10.20260158    -10.44410315
  H     15.31016385      8.42136043    -14.24620220
  O     13.91020406      8.43836148     -8.83107567
  H     16.03332040     10.68352238    -11.65069426
  H     10.99149967      8.64404485    -13.61123543
  O     13.45029920      6.72244726    -11.98373200
  H     16.68301567     10.36709205    -14.32634622
  H      9.76192986      9.48601681    -13.19635936
  O     14.42267052     11.01515044    -12.43376470
  H     17.46896195     10.96029354    -13.14297851
  H     17.46360592      7.09604799    -10.64506527
  O     14.50980427      5.88595483     -9.53142050
  H     12.97313935      7.82617086    -16.80148754
  H     16.35675370      6.46202565     -9.75530160
  O     17.28178568      8.22507620    -17.35575108
  H     12.19559333      6.65977929    -17.45875978
  H     12.03192242      6.93433209    -14.96745451
  O     15.55145011      6.38831675    -16.41623104
  H     14.74366310      8.92158223     -8.77492734
  H     12.24014262      6.78777115    -13.43443254
  O     18.74850245      8.58473787    -14.83154552
  H     13.39942942      8.83655149     -9.54859039
  H     17.47464954      8.72979620    -12.03025273
  O     15.89423578     12.56423584    -15.75885030
  H     13.76047960      6.27654806    -11.18581767
  H     18.22960604      7.99396721    -13.16994552
  O     15.14824506      9.34468623    -14.47797642
  H     13.21036858      7.62136559    -11.71684189
  H     17.08933710      9.63049933     -7.96270912
  O     10.71356368      9.50906084    -13.25735403
  H     14.18869316     11.84769416    -12.85967641
  H     16.87402117      8.53820639     -9.03853138
  O     17.17782151      6.96762470     -9.73030856
  H     14.60559881     10.39015342    -13.15428205
  H     16.06069284     10.82852316    -18.74262236
  O     11.63155316      7.11519326    -14.10947102
  H     14.24906893      5.24808976     -8.87245573
  H     16.38660238      9.78102469    -17.65644857
  O     17.74514631      7.85538909    -12.34312649
  H     14.25770876      6.76437020     -9.19077355
  H     13.29376868      9.96919930    -11.54768667
  O     16.61032266      9.43593955     -8.76398755
  H     16.64990397      7.55283775    -17.04105330
  H     11.88018306      9.40834918    -11.77114141
  O     15.84545561     10.56375048    -17.85101535
  H     17.87791956      7.77650280    -17.95105833
  H     14.52733320     12.98738269    -14.75984822
  O     12.66104318      9.31706182    -11.21201903
  H     14.60372338      6.42040045    -16.58974073
  H     13.66904240     14.08483608    -14.08719325
  O     13.78397518     13.14058144    -14.14883485
  H     15.63901443      6.34828480    -15.45242030
  H     14.17384133      9.95336795    -17.24028592
  O     13.47320415      9.49404427    -16.76374777
  H     18.30609809      8.39063462    -15.66421258
  H     12.91528035     10.14358806    -16.30535351
          69
 Energy    -249.34701398847625     
  O     17.75411942      8.34827871    -15.57960987
  H     16.80041284      8.42950708    -15.44878424
  H     15.01846617      6.83384815    -16.22664730
  O     16.73357158      1.75207027    -12.81203639
  H     17.89229301      7.49096398    -15.99512376
  H     18.38190458      1.48113831    -12.42901810
  O     20.74272935      6.08041058    -13.38299019
  H     16.62857153      2.14977698    -13.68442159
  H     19.56791553      0.66453555    -11.85246988
  O     14.09339664      3.74393141    -15.82711257
  H     16.20194104      2.26422082    -12.18950492
  H     12.17506116      7.53021457     -9.78818019
  O     17.88068699      5.44529954    -16.16521606
  H     20.40132121      5.41870524    -12.76488132
  H     13.28531371      6.45468278     -9.74291011
  O     13.84140477      4.91873495     -9.12266509
  H     20.76114657      5.64825268    -14.24407946
  H     18.75342064      4.46962926    -11.03968203
  O     16.88219692      7.72583385    -11.06223438
  H     14.39019282      4.57023295    -16.25168996
  H     19.37620763      3.28041691    -11.85323403
  O     19.53188015      2.27022500    -15.03371672
  H     13.30085851      3.46496062    -16.27656953
  H     14.44865065      4.47751412    -14.14596883
  O     17.38989702      5.17209128     -9.99612973
  H     18.81867552      5.23596385    -16.26275287
  H     15.72159415      5.06497464    -13.45149375
  O     17.44493027      5.48534053    -13.47240438
  H     17.71712702      5.48750918    -15.20801260
  H     19.55436678      7.41850873    -13.13572243
  O     20.53789219      4.63321638    -15.91202921
  H     14.22176177      4.29610031     -9.75523209
  H     18.50032213      8.26333774    -13.92385733
  O     15.16768254      6.03594952    -16.74870960
  H     14.53347020      5.08110406     -8.46944160
  H     13.89009649      7.53327887    -11.70944890
  O     19.34845962      1.47983904    -12.29390596
  H     17.61036592      7.96377254    -11.65347484
  H     14.45447134      6.55818001    -12.77932533
  O     13.07254609      7.35235911    -10.05685583
  H     16.07998826      7.68750757    -11.59938863
  H     15.02980907      3.98137016    -11.83201340
  O     19.29649917      4.24073026    -11.80655975
  H     18.59270921      2.22694884    -15.25040789
  H     16.09715541      4.03979046    -10.70532364
  O     14.76841747      4.90849591    -13.34587510
  H     19.60885259      1.94770473    -14.12769190
  H     17.15419453      3.64887901    -15.81200214
  O     18.74575066      7.94509601    -13.04365568
  H     17.08985267      5.24852120     -9.08250069
  H     15.80553015      2.93546940    -15.68581299
  O     14.44174947      7.48733030    -12.50073585
  H     17.24929496      6.04164852    -10.39905438
  H     16.31251602      5.77491926     -6.61654023
  O     15.36633602      3.50983421    -11.05529739
  H     18.03811952      4.89741530    -12.98601945
  H     15.90931322      6.63306775     -7.84083145
  O     16.74779758      2.82949786    -15.50420929
  H     17.77113084      6.38031379    -13.30715169
  H     16.09182127      8.15132730     -9.43193180
  O     16.09792433      5.72426361     -7.54373090
  H     21.29256758      4.49729277    -16.47902786
  H     14.61060114      8.03197870     -9.04953824
  O     15.49321471      8.12448385     -8.67150004
  H     20.26367754      3.75445664    -15.59311112
  H     14.73900363      8.13411552    -14.15908852
  O     14.93278308      8.36358472    -15.08190954
  H     16.12059795      5.87693862    -16.73462471
  H     14.41022375      9.13666348    -15.28457929
          69
 Energy    -249.34660972024832     
  O     15.34698045      9.82457553    -12.80796907
  H     15.34279225     10.27657007    -13.67076835
  H     15.41036783     12.06375614    -15.17242414
  O     17.68942488     15.41619464    -16.47561150
  H     14.52861915      9.33807655    -12.75175784
  H     18.84190665     12.49616443     -9.67200760
  O     19.37372031      9.06350709    -15.02732695
  H     17.46704873     15.94096614    -17.24020114
  H     18.65040423     10.96661725     -9.75652950
  O     20.18392902     13.71446590    -10.34077730
  H     18.10349132     14.59683176    -16.80508905
  H     22.82176521     15.52120084    -13.70531965
  O     15.76274500     14.74824829    -12.32516526
  H     19.79536663      9.83835125    -14.61264002
  H     21.43453634     16.18496823    -13.69486252
  O     19.56409173      9.40128509    -10.37648137
  H     20.06187123      8.41956937    -15.17519021
  H     20.92173751     12.17620847    -10.95345762
  O     16.08828538     12.12519416    -11.31616294
  H     19.61531203     14.17015737    -10.97972616
  H     20.84776497     10.62449131    -10.92315437
  O     17.74669234     10.48233883    -16.78768466
  H     20.97625588     14.25977926    -10.26517771
  H     18.53286356     12.22888588    -17.02881115
  O     21.17083494     13.31575584    -15.49015262
  H     16.66551834     15.05838525    -12.18373151
  H     19.76869218     13.11399991    -16.70620361
  O     22.52516718     15.26873968    -10.63464529
  H     15.71206290     13.89902201    -11.86314517
  H     24.59826938     13.96558153    -14.77498786
  O     20.28234880     11.30014128    -13.83419709
  H     18.98814233      9.16886974    -11.12625425
  H     23.69673123     13.54145082    -13.59057360
  O     15.41262543     11.09673993    -15.21425902
  H     19.61900839      8.62773398     -9.82160183
  H     20.32594718     14.87194594    -14.94799612
  O     18.18382671     11.79439842     -9.59107172
  H     16.73601168     11.96149628    -10.61278194
  H     19.12705915     15.78928616    -15.26106737
  O     22.26537519     16.13195914    -13.20605909
  H     15.74358899     11.28277514    -11.63325808
  H     22.92368066     12.26604462    -11.72656701
  O     21.33643604     11.36898589    -11.29560863
  H     17.62125167      9.98159587    -17.59172026
  H     23.33671286     13.71217362    -11.40560271
  O     18.91288758     13.10491574    -17.15652307
  H     18.29409896      9.93567415    -16.20322148
  H     18.35580513      8.81743429    -13.37834694
  O     23.69714499     13.97345656    -14.46406272
  H     20.91016030     12.58691483    -14.90825305
  H     17.06127241      9.11505777    -12.59066488
  O     19.88685959     15.69135927    -14.67552601
  H     22.08801321     13.52361592    -15.27350249
  H     17.31882710     12.22071221    -12.66091687
  O     23.56416847     12.95177489    -11.95606911
  H     22.38667490     15.65191752    -11.51951086
  H     17.29209646     12.81309177    -14.08630710
  O     17.97186666      8.80795560    -12.49536349
  H     22.92713915     15.94924255    -10.10137118
  H     15.75767576     14.22825127    -14.05727281
  O     17.87686121     12.42050661    -13.42527921
  H     19.40145040     11.68540436    -13.68944346
  H     16.43389985     14.44487740    -15.44869098
  O     15.94476853     13.81066991    -14.91274551
  H     20.73468274     11.29533332    -12.98105262
  H     18.37458031     14.00901133    -12.67841571
  O     18.64376674     14.86513486    -12.31461911
  H     16.15639356     10.86516785    -15.78234598
  H     19.09183664     15.31142907    -13.04375422
          69
 Energy    -249.34655903798816     
  O     11.93567242     10.92583649    -14.46554529
  H     12.61104201     10.97728188    -13.77306560
  H     15.19686440      7.03613667    -11.15021921
  O     13.83009202      5.19009199    -17.43098465
  H     12.39664101     10.61666928    -15.25348748
  H     14.21952084      8.04174268    -14.36749495
  O     14.00322769      5.97188684    -11.90990315
  H     13.65210260      4.81673603    -18.29007192
  H     13.58555921      8.87591236    -13.23837449
  O     17.98646746      6.17056798    -10.28216322
  H     13.27831428      5.98873081    -17.35372832
  H     13.91607820     10.56997567    -17.32592553
  O     13.14442956      3.72587522    -15.02387087
  H     13.16362804      5.70726972    -11.51702677
  H     14.35872708      9.51809480    -16.28692143
  O     10.01325510      9.53091764    -13.14984867
  H     13.79948380      6.66914702    -12.55452614
  H     10.94708751      4.89452195    -10.48070711
  O     12.32984804      7.42392369    -17.11798898
  H     18.65557733      6.68403128     -9.83559187
  H     11.18225696      5.19738202    -11.98081774
  O     11.03258154      7.38476422    -14.65177828
  H     17.21959612      6.75738669    -10.37566417
  H     10.90892924      8.73564313    -11.64476246
  O     18.07180660      4.36932080    -12.34251786
  H     13.97147950      3.76473905    -14.52799844
  H     11.32413059      7.39730915    -10.97592488
  O     18.35713190      6.47661589    -14.27460661
  H     13.32423500      4.15624329    -15.86768859
  H     16.36808327      4.23472140    -13.13653823
  O     16.07269325      5.80907249    -15.87945987
  H      9.19614686     10.02138675    -13.12522093
  H     14.96990445      4.87253310    -12.94063354
  O     15.77748325      7.74272067    -10.82705249
  H     10.65275296     10.07720281    -13.64224734
  H     10.87841589      5.63955843    -14.06277949
  O     13.55749124      8.01023113    -13.66646357
  H     11.73102271      7.36589187    -16.36071040
  H     11.69741738      4.32942553    -14.09845378
  O     13.58363277      9.96493742    -16.66682139
  H     12.69972959      8.31338388    -17.08791164
  H     13.49835070      9.88740947     -9.12913015
  O     11.37634294      5.50353532    -11.07446697
  H     10.47354897      8.04485600    -14.22722029
  H     12.86239474      9.04601488    -10.26145850
  O     11.42328634      8.35593872    -10.92259157
  H     11.92719760      7.56266736    -14.32151857
  H     15.78670311      7.57630673    -15.74609847
  O     15.51241221      4.36382876    -13.56145960
  H     18.64426883      3.64037975    -12.11736868
  H     16.15069427      8.68718366    -14.72695084
  O     10.99320854      4.78880047    -13.61891751
  H     18.05556910      4.96221151    -11.57198659
  H     14.78026763     10.93076297    -12.69589960
  O     13.68886192      9.47145412     -9.96552753
  H     18.38049260      5.72766189    -13.66670262
  H     13.83279632     10.35428042    -11.60219184
  O     15.59705395      8.49206889    -15.49456018
  H     17.74749544      6.22371877    -14.97956980
  H     17.17014536     11.92560331    -13.30370727
  O     13.89069816     10.58359245    -12.53707617
  H     15.39970799      5.55771441    -16.52504385
  H     16.87977467     10.43700149    -13.03988767
  O     16.50208886     11.32966279    -12.97601235
  H     15.87005518      5.31005072    -15.07394426
  H     17.68167163      7.94286555    -13.49263095
  O     17.14607912      8.67282606    -13.14852309
  H     15.18889574      8.39932931    -10.43789179
  H     16.67829742      8.35084298    -12.36736519
          69
 Energy    -249.34635500323657     
  O     10.50838594     10.42552300    -12.20554340
  H     11.25644126     10.94228025    -12.52865467
  H     16.64899902      6.67785227    -16.61655289
  O     13.68489405      7.31350585    -15.18556801
  H     10.14481336      9.97119621    -12.97677199
  H     19.22392509      6.58414942    -16.57949724
  O     16.97511684      9.46249911    -10.51429361
  H     13.61873809      6.75326006    -14.40025430
  H     18.45646582      7.90271196    -16.31383543
  O     18.14465945      9.55317314    -16.72523465
  H     14.34254400      6.95176254    -15.79839799
  H     15.94384575     12.10498749    -14.58080528
  O     12.20137932      9.58710770    -15.41267320
  H     16.73964941      8.57585196    -10.20368228
  H     15.41828341     13.53151785    -14.84739206
  O     15.96928492      6.94378028     -9.89158753
  H     16.14335662      9.86808334    -10.78848943
  H     16.33856032      8.12230037    -13.67861198
  O     13.54567378      6.04299043    -12.71903207
  H     17.91379510     10.12356054    -15.98210950
  H     14.96113787      8.30783713    -14.38346546
  O     14.49776756     10.04867823    -11.72232224
  H     17.37563481      9.54313491    -17.31102009
  H     10.59426860      9.15396525    -11.00498780
  O     15.78596075      9.28250293    -18.25317841
  H     11.28827325      9.35922167    -15.20306259
  H      9.99417929      8.46636951     -9.75481362
  O     16.23617166      5.21873450    -12.21952285
  H     12.70184272      8.75728557    -15.37017394
  H     10.65526125      7.14829661    -11.94669363
  O     17.25626653     10.87783470    -14.35775984
  H     15.03143173      7.17579432     -9.94289836
  H     11.60368747      6.33342282    -12.85135646
  O     15.73438660      6.76397879    -16.90538041
  H     16.10091485      6.27526031    -10.57233797
  H     19.72149890      9.78221258    -11.99329215
  O     18.51639040      6.96215388    -16.06441013
  H     14.40110121      5.61346187    -12.60147540
  H     18.22353613      9.57389719    -11.66097865
  O     15.14230887     12.62168594    -14.76414649
  H     13.47298028      6.67119123    -11.98434568
  H     18.32098986      7.88859025    -13.01877223
  O     15.63895651      8.75972470    -13.86753270
  H     13.87557401     10.63767778    -12.16436606
  H     18.15601152      7.00757834    -14.29878241
  O     10.63670010      8.35458251    -10.44987918
  H     14.92850942      9.55440371    -12.43731675
  H     14.47571147     11.57570458    -16.24332487
  O     10.72881951      6.73630450    -12.81762410
  H     15.18232956      9.88312810    -17.78030576
  H     13.38633882     10.50512293    -16.47507260
  O     18.87818481      9.57425648    -12.38572957
  H     15.63795821      9.42535752    -19.18424461
  H     13.73267224      8.64697941    -10.91559746
  O     17.86186189      7.12068180    -13.38359620
  H     16.86275114      5.84146399    -12.62334967
  H     12.44590252      7.97178073    -10.37490842
  O     14.15481172     10.92931494    -16.88136101
  H     16.66966935      4.36866366    -12.20133017
  H     13.56416122     12.00729593    -13.83397482
  O     13.37644072      7.81402574    -10.57116488
  H     16.60186492     10.16186613    -14.29201457
  H     12.63546650     10.80938356    -14.12252431
  O     12.85070155     11.48009991    -13.45622675
  H     17.92601068     10.65364994    -13.70152518
  H      8.90153636      8.47704421    -14.75216932
  O      9.74454402      8.73171792    -14.38748831
  H     15.70715355      7.57429073    -17.43248900
  H     10.08384989      7.96084696    -13.89762134
          69
 Energy    -249.34632757682601     
  O     14.70810021     12.73966000    -13.49910677
  H     15.21407174     12.06009065    -13.03446018
  H     12.90469673      6.21121018    -14.46228588
  O     13.96923297      6.86119291    -13.20854085
  H     13.82804939     12.71942715    -13.10305564
  H     16.15792672     11.17741521    -16.84883889
  O     17.70080145      8.43640280    -12.33490144
  H     13.43661294      7.13575618    -12.45075157
  H     16.99882559      9.90555052    -16.55673993
  O     17.37210867      8.73165012    -15.15609286
  H     14.17726447      7.66487439    -13.71196356
  H     14.08252339      9.59166389    -15.18808075
  O     13.12712239     10.54318155    -16.44908418
  H     17.31680725      7.57093636    -12.53904136
  H     15.52213526      9.01709579    -14.93231400
  O     14.97711942      8.96728547     -8.81377341
  H     17.80682323      8.45225336    -11.37482310
  H     11.81104774     11.74469644    -13.01592498
  O     12.37301473      7.79045496    -11.17574957
  H     17.65674268      8.76992910    -14.23440320
  H     11.46182874     12.93272916    -12.08767131
  O     15.67169342     10.37519707    -12.36378547
  H     17.36465885      7.79833793    -15.40882311
  H     16.39675129      5.69434819    -11.10013401
  O     14.59823949      6.50797548    -16.88592851
  H     13.70303464     11.32076465    -16.43391499
  H     16.77787074      6.57547792     -9.89528005
  O     13.76005339      6.38692384     -9.16455072
  H     13.41278645      9.99695634    -17.19176512
  H     11.22201543      7.91493280    -12.73625903
  O     17.00844571      6.00283865    -15.76643531
  H     14.50743202      8.12456071     -8.78907097
  H     11.20192506      7.43365547    -14.20534480
  O     12.30549546      6.06233410    -15.21438652
  H     14.42030748      9.55993396     -9.33490802
  H     15.58697534      6.21409129    -13.00296120
  O     16.52913788     10.38313447    -17.25341963
  H     12.67254189      8.69897263    -11.02421002
  H     16.78761831      5.80340638    -13.87757769
  O     14.63751271      9.11976507    -14.55720093
  H     12.70877749      7.26158256    -10.44082958
  H     18.11489010      8.53340599     -8.81661142
  O     12.15225454     12.31017637    -12.29752009
  H     15.19719833     10.00938191    -13.12710155
  H     16.63956955      8.63593864     -9.26573275
  O     16.23272225      5.82321983    -10.15724342
  H     16.43847887      9.80408500    -12.24581831
  H     14.51414429      8.99905460    -19.29883151
  O     10.82227355      8.07893076    -13.60013249
  H     14.50931273      7.31439224    -17.40863773
  H     15.27855649      9.44597213    -18.02807878
  O     16.52352930      5.96025416    -12.96424078
  H     13.75684965      6.37434644    -16.43410397
  H     12.91637650     11.04155713    -11.13698885
  O     17.52217340      8.32266720     -9.53322644
  H     14.61456393      6.10480941     -9.53685662
  H     14.28004396     10.33536435    -11.25080896
  O     14.50005425      8.95338538    -18.34633886
  H     13.52330577      5.74269613     -8.50264005
  H     14.95322071     12.67481333    -15.20760255
  O     13.44839689     10.33523990    -10.75191764
  H     16.13382620      6.13246705    -16.17646940
  H     15.11107797     13.46725096    -16.52429722
  O     15.04676998     12.58316013    -16.17277380
  H     17.50059821      5.42620569    -16.34466418
  H     11.06140385      9.81527736    -14.06379491
  O     11.30806126     10.72487289    -14.28457174
  H     11.94262775      5.18571758    -15.10512674
  H     11.80879653     10.68223931    -15.10734495
          69
 Energy    -249.34582023860477     
  O     13.36061673     12.08494451    -14.13226611
  H     14.25203736     12.42132275    -13.98271103
  H     17.02585685     12.43699159    -15.08374821
  O     14.36937757      6.66792068    -14.21306749
  H     13.40218406     11.51847663    -14.91430259
  H     15.30829017      8.17855403    -14.52221794
  O     18.12898974      8.19599590    -11.83609768
  H     13.66837082      6.88314485    -14.84010203
  H     16.44393654      8.85703016    -15.35906644
  O     19.62018761     10.40994991    -15.71336777
  H     13.98157791      6.75802269    -13.32827460
  H     12.50491520     11.42032722    -12.80622749
  O     12.18598570      7.76866907    -15.69080289
  H     18.15279334      7.93079240    -10.90824717
  H     11.43695040     11.62099329    -11.70339164
  O     15.26719895      7.99307624     -8.82031631
  H     17.65742800      7.49830043    -12.31346609
  H     16.78145762      5.28080316    -11.54504547
  O     13.28359749      7.10068120    -11.72728617
  H     18.92129374     11.08861853    -15.68605964
  H     17.18979695      5.70805103    -10.11753094
  O     16.43872528     10.29716795    -12.42920519
  H     20.34226967     10.78734426    -16.20927555
  H     11.84767983      7.89433762    -12.63418622
  O     14.15208410      5.46810599     -9.64008898
  H     11.47679221      7.36955531    -16.18778866
  H     11.47343965      9.36658852    -12.86368164
  O     17.70068910      8.53491624    -16.62138096
  H     11.80700913      8.05034413    -14.83798520
  H     19.47606765      8.33507891    -13.12821192
  O     18.82633254      6.25178234    -15.32896907
  H     14.87836724      8.64004714     -9.42369619
  H     19.92359962      9.06353934    -14.42571422
  O     17.57981447     12.14295268    -15.81391649
  H     14.78319974      7.16966983     -8.96001656
  H     17.55140889      5.98891919    -13.98448551
  O     15.75215144      9.01754784    -14.70350767
  H     13.46562968      6.46640860    -11.02411988
  H     16.04613993      6.13446761    -13.63341988
  O     12.06156859     10.99067402    -12.05181398
  H     13.64237967      7.95305193    -11.43912547
  H     16.95384962      7.59752669     -9.01471389
  O     16.65097329      5.07621551    -10.60950439
  H     16.15294859      9.90908214    -13.27303914
  H     18.35159287      7.33191443     -8.40254441
  O     11.34022091      8.47787575    -13.21457728
  H     17.12599404      9.70280690    -12.10252014
  H     15.14289552     10.57610977    -17.34591689
  O     20.00732251      8.23882139    -13.92995916
  H     15.03078969      5.23893155     -9.99383965
  H     16.50792602      9.88829897    -17.56122834
  O     16.92782562      6.04159166    -13.24920725
  H     13.83733566      4.70576352     -9.16270718
  H     14.98609248      9.88487326    -11.40081560
  O     17.85476670      7.28455173     -9.21446909
  H     18.40455801      9.16110553    -16.39971710
  H     13.46344972     10.12453709    -11.19306596
  O     16.04217604     10.72632794    -17.66481857
  H     18.02088055      7.66640501    -16.34925074
  H     16.32411322     13.50625852    -12.91010510
  O     14.21238924      9.58869493    -10.90207589
  H     19.44747435      5.60072100    -15.64413899
  H     16.24948244     11.96449855    -13.01205514
  O     16.04635946     12.79266721    -13.47948580
  H     19.33905318      6.91769876    -14.83335331
  H     14.45216863      9.84089180    -15.61602955
  O     13.70009565     10.15473486    -16.14362307
  H     16.99221703     11.78216481    -16.49422747
  H     13.08325933      9.41456035    -16.15861248
          69
 Energy    -249.34580638210221     
  O     15.16703401     10.68269433     -9.53122381
  H     15.80738442     10.18938876    -10.06439419
  H     10.58329638      8.42529718     -9.98291680
  O     16.21661311     12.53966214    -14.45307752
  H     15.36174340     11.61957745     -9.66134556
  H     15.57134522      5.91719339    -10.51193143
  O     12.30767045     11.46958980    -13.35468310
  H     16.71908491     12.24566748    -13.67175026
  H     14.32500392      6.36978039    -11.29401941
  O     10.01881950      9.69776636    -13.13023698
  H     16.82547067     13.01881408    -15.00855579
  H     12.39266885      7.44705122    -10.26210577
  O     14.43441245     10.40235187    -14.79712394
  H     11.50163347     10.94390251    -13.41060733
  H     11.95170619      6.18804185     -9.53435929
  O     15.68421566     13.29492644    -10.38778184
  H     12.97137434     11.05686681    -13.92789384
  H     13.41124951     12.95852036    -12.88774125
  O     16.96673960      9.20152606    -11.10437986
  H      9.12777379      9.96464642    -13.34180901
  H     14.84226618     13.28738081    -13.34486558
  O     14.30939351      4.65997585    -13.63922519
  H     10.03559842      9.50967884    -12.17407534
  H     17.23464318      6.62208477     -8.69275316
  O     17.42754230     11.81670818    -12.13100235
  H     14.90281664      9.72075449    -14.29391804
  H     15.88700345      7.34686909     -8.92950094
  O     13.35558827      7.85855360    -11.88489000
  H     15.03516670     11.15684791    -14.83778782
  H     13.23285242      4.70466361    -10.46947586
  O     11.48998061      4.73446215    -13.15328049
  H     15.08673364     13.40849742    -11.14853315
  H     11.92381484      4.53554137    -11.25018827
  O     10.33983130      9.21510793    -10.47870367
  H     15.76651819     14.14880578     -9.97182634
  H     15.04125107      5.69554127    -14.79485370
  O     14.85844435      5.59299513    -11.07335235
  H     16.60392496      8.89032505    -11.94658611
  H     16.03594897      5.91897326    -15.96092244
  O     12.00290583      7.14894598     -9.43066696
  H     17.02704261      8.42696777    -10.53167016
  H     13.94125565      7.46431491    -15.82866468
  O     14.19167220     13.47663049    -12.65643475
  H     13.35451138      4.55957997    -13.55076412
  H     13.56076681      8.95022967    -15.68382449
  O     16.66567480      6.96548177     -9.37652155
  H     14.63703447      4.84914220    -12.74877865
  H     12.00588500      7.61571528    -14.62992368
  O     12.28453000      4.55849785    -10.35578305
  H     16.98009816     12.35849413    -11.46894488
  H     10.87563055      8.15008091    -13.68652206
  O     15.44207747      6.37317834    -15.36999065
  H     17.43992028     10.91849910    -11.77773140
  H     13.57903954      7.85633124     -8.53869296
  O     13.19125105      8.07253206    -15.84471311
  H     12.68973861      7.67033949    -12.56099751
  H     14.54289096      9.08241186     -8.55988691
  O     11.46238028      7.40278962    -13.85423861
  H     13.20308471      8.75453284    -11.54869095
  H     14.85815694      8.12011541    -12.86827332
  O     14.47447768      8.14831146     -8.32858562
  H     10.78071475      4.24611959    -13.56478370
  H     15.73357084      7.65472606    -14.06165358
  O     15.65224308      8.33360860    -13.37954466
  H     11.38191141      5.66107302    -13.42334072
  H     13.62635517     10.58222724    -10.40697668
  O     12.82201233     10.34719391    -10.88632587
  H     11.14131321      9.76037233    -10.46234555
  H     12.75022971     10.88513065    -11.68548647
          69
 Energy    -249.34577795564383     
  O     10.83142322     10.57927872     -9.53582855
  H     11.53887806     10.76783078     -8.91002761
  H     13.93212358     13.77560842    -14.49918404
  O     13.12904643      9.08830926    -17.45170403
  H     10.81505773     11.33091000    -10.14700208
  H     17.01663537     10.35486749    -11.17558990
  O     10.77152453      8.35237024    -11.07580224
  H     13.48645859      8.85616965    -18.30457047
  H     16.62639492      9.41067336    -12.32812534
  O     13.86264900      8.50015201    -14.79960264
  H     13.02632023     10.05675305    -17.44444732
  H     14.98422039      7.90678571    -11.93449033
  O     12.63633889     11.76588938    -17.32517240
  H     10.74639187      9.13051432    -10.48981504
  H     15.14208741      7.92326550    -13.45778998
  O     11.38643005      9.18502970    -13.71072597
  H     10.05931950      7.77972062    -10.80427276
  H     13.82773582     13.98595849    -10.40493185
  O     14.82221976      9.11420580     -8.37765234
  H     13.70474050      8.59111226    -15.74766705
  H     13.71135802     14.67416949    -11.77619591
  O     13.59028835     11.02562978    -11.54081784
  H     13.00930099      8.64348550    -14.36406155
  H     13.61401340      9.30103933    -11.01643864
  O     13.07709026     11.35453599     -7.86164208
  H     13.03375534     12.30359930    -16.62808993
  H     12.65863855      8.11678613    -10.81976067
  O     16.59875283     13.17818452    -11.97948121
  H     11.68187514     11.83074379    -17.19719232
  H     11.96116494     12.38494606    -14.39948822
  O     11.23054357     12.55161158    -11.43088142
  H     11.30420170     10.14720374    -13.75637723
  H     10.56588688     11.93911688    -14.90570452
  O     13.57045328     13.01136262    -14.96065115
  H     11.12554666      8.90349758    -12.82592708
  H     14.50158212     11.95025744    -10.36920570
  O     16.94879879     10.30681589    -12.13637718
  H     14.17337723      9.73982797     -8.03568114
  H     15.71631367     11.91915271     -9.40775374
  O     15.64885270      7.92748155    -12.63627379
  H     14.40099871      8.69302898     -9.14089699
  H     14.62932942     10.04795257    -14.32282868
  O     13.20643201     14.43400652    -10.98873898
  H     13.98426407     11.03949625    -12.42200734
  H     15.72502156     10.72729434    -13.44426944
  O     13.58601443      8.36782694    -10.75176043
  H     12.74489397     11.49137122    -11.56608826
  H      9.97143104     10.60688300    -16.56543929
  O     11.12472969     11.98468740    -14.12037797
  H     12.92328577     11.89028199     -7.08591348
  H      9.02613256     11.74321684    -17.02868744
  O     14.96354317     12.46199563     -9.68106539
  H     13.69190655     11.85168954     -8.42108139
  H     16.25177931      9.94178855     -8.91666520
  O     14.94418217     10.89894993    -13.98625362
  H     16.89063024     12.28232613    -12.18519949
  H     17.72452480     10.38889685     -8.73810453
  O      9.85666262     11.57409425    -16.59314267
  H     16.14940377     13.10161111    -11.13004502
  H     15.56023112     14.27586561    -12.90820722
  O     16.94071701     10.53985092     -9.25951951
  H     11.79639161     13.32597408    -11.29512809
  H     15.32236673     15.68962035    -13.48578679
  O     14.88318268     14.86790974    -13.28022400
  H     11.03537824     12.47532592    -12.37488305
  H     10.67729288      8.86269039    -15.42492725
  O     10.47253627      8.93846241    -16.36721318
  H     14.12577062     12.26061183    -14.69355488
  H     11.31620613      8.83413577    -16.82480523
          69
 Energy    -249.34546153979994     
  O     12.28752502      6.09106798    -16.26835423
  H     12.57670645      5.19177200    -16.07046100
  H     19.58044068     10.09015030    -10.94856493
  O     19.71475594      6.64527343    -12.19407440
  H     13.09553740      6.61782216    -16.32997426
  H     17.20889314     10.17134253    -12.94159476
  O     18.68442482      9.78473274    -15.33908907
  H     19.01169303      6.45631805    -12.83713698
  H     18.32522567     11.15818121    -12.53579367
  O     13.19199747      3.58969738    -15.16481569
  H     20.21633624      5.83965006    -12.09363814
  H     16.40121138      8.39855844    -11.72568599
  O     12.64939143      8.82715291     -9.84319084
  H     18.22258919     10.39632202    -14.75469681
  H     16.90071630      7.78627276    -13.08100928
  O     13.65106825      5.92612640    -11.78344652
  H     19.46048922      9.49713814    -14.83558648
  H     11.11281191      6.55336327    -15.05703460
  O     14.84915457     11.63591686    -12.57203411
  H     13.07315863      2.67564189    -15.40707643
  H      9.65389953      6.89504323    -14.66994681
  O     17.66593961      6.33950931    -13.99363245
  H     12.59776576      3.76314274    -14.41198555
  H     15.77516661      9.32035268     -9.87428055
  O     14.18189894      6.72505497     -9.12939397
  H     12.33189896      8.67605213    -10.74443512
  H     15.64863887      7.80245630     -9.57881739
  O     20.66605642      9.02609363    -13.54820993
  H     13.23497135      9.59348005     -9.88512645
  H     11.11408826      5.11510286    -13.40973011
  O     15.13494397      5.27748548    -14.01971825
  H     13.15317300      6.71811167    -12.03623660
  H     12.29650993      4.79483619    -12.47788632
  O     19.85557127     10.85952309    -11.47935607
  H     13.89672446      6.04060177    -10.85907925
  H     18.11567914      8.52659897     -9.98565964
  O     17.53305193     11.07494699    -13.08075566
  H     14.44882548     11.01020340    -13.18838846
  H     19.25675247      7.87169648    -10.80536277
  O     16.44322303      8.53371725    -12.68119009
  H     15.79243236     11.64959650    -12.79035060
  H     14.71489056     11.14623228    -10.91150698
  O     10.51740641      6.72187132    -14.30471049
  H     16.84787248      5.82204974    -13.97186991
  H     14.70400083     11.59358179     -9.43295200
  O     16.25105006      8.47861961     -9.91163188
  H     17.72284866      6.73765253    -14.87239896
  H     15.66168628      7.52914500    -16.25188356
  O     11.65302609      4.38781091    -13.07354074
  H     13.93350074      6.34018330     -8.29358167
  H     14.87405906      6.66475507    -15.24662596
  O     19.05238759      8.60279631    -10.20857211
  H     13.56316698      7.46041976     -9.30024491
  H     11.49492153      7.75174013    -13.10257374
  O     14.68247989     10.82261868     -9.99392337
  H     20.52530707      9.70974851    -12.88080165
  H     12.78569416      8.62688611    -13.06723350
  O     14.77184442      7.34695716    -15.92641655
  H     20.45633122      8.19349011    -13.10982905
  H     14.93392310      9.04898865    -13.48092305
  O     12.14784614      8.15059524    -12.51478103
  H     14.60149568      4.60017457    -14.45297386
  H     14.24214383      8.77321888    -14.81900792
  O     14.15267720      9.28498744    -14.00623336
  H     14.68070887      5.50814618    -13.19581597
  H     17.91807835      8.48730114    -16.12012472
  O     17.52573441      7.66974872    -16.47986877
  H     20.40534460     11.39951496    -10.91842888
  H     17.96615049      7.49705104    -17.30749976
          69
 Energy    -249.34505702219965     
  O     16.17169577      9.89459034    -11.78680420
  H     15.68579170      9.05587102    -11.81109898
  H     12.40094053      9.18214313     -9.02787411
  O     16.06566707      7.32243415     -5.74628986
  H     17.10260406      9.70474316    -11.95985853
  H     19.90579672      4.43104676    -11.72644125
  O     14.20290321     11.75067275    -11.64856198
  H     16.20213699      8.28181051     -5.65448068
  H     18.43941355      4.90311602    -11.58351341
  O     13.81103869      6.73894857     -7.49969371
  H     16.14404323      6.95121775     -4.87147341
  H     17.03518650      7.96106597     -8.52302824
  O     14.69782532      7.57388396    -11.74251726
  H     14.00787200     12.14160261    -12.49657249
  H     17.10566015      7.03006086     -7.30057588
  O     18.84990788      9.32210780    -11.96666296
  H     14.95577262     11.14742971    -11.78302967
  H     18.62361258      7.92747910    -13.22256211
  O     19.80118375     11.75851545    -10.90390856
  H     13.26955677      7.52733338     -7.62417861
  H     18.87061622      6.41812790    -13.06125481
  O     19.49540615      7.47050829     -9.98060273
  H     14.48812945      6.96663873     -6.85105384
  H     17.05678898     13.05349903     -9.30473214
  O     15.35967312     12.77632213     -9.27275960
  H     14.89563540      7.01095043    -10.97987198
  H     18.15083434     14.08635952     -8.96230092
  O     12.79621512      9.39860342    -10.70516967
  H     14.97687649      7.08911807    -12.52922805
  H     15.68941293      5.90748820    -14.73947696
  O     14.46518577     10.74288010     -7.54294831
  H     19.22250836     10.17360059    -11.70918507
  H     16.78868758      6.52206589    -13.83922513
  O     12.25941285      9.09012210     -8.06818066
  H     19.05313775      8.69740713    -11.25378466
  H     17.16195829     10.06314890     -8.59146230
  O     19.36122548      5.21039521    -11.65570192
  H     19.15867232     12.26750977    -10.38560509
  H     16.41451812      9.77261341     -9.94930758
  O     17.41696437      7.12414806     -8.20838711
  H     20.39012431     12.39284879    -11.30695892
  H     17.19155680     10.35840792     -6.13679675
  O     18.43755258      7.07065170    -13.62665911
  H     18.82923265      7.29008855     -9.30080014
  H     15.65476644     10.37826683     -6.11887501
  O     18.02089193     13.19245269     -9.26965840
  H     19.57125073      6.66680042    -10.50941713
  H     14.66596356      6.06583808     -8.94363846
  O     15.88757901      6.15193965    -13.83972695
  H     14.89665096     12.54297079    -10.08650558
  H     16.16508241      6.21946256     -9.20198212
  O     16.47357035      9.53218209     -9.01822577
  H     14.98440389     12.21006764     -8.58506381
  H     20.32592487      8.97182728     -9.17415339
  O     16.42495511     10.02206481     -5.65503506
  H     13.34222368      8.71677655    -11.11859189
  H     20.46314160     10.46082388     -9.55763179
  O     15.34690588      5.91027686     -9.61407163
  H     13.14615382     10.24516937    -11.00472464
  H     18.30286678     11.80697403     -7.96956789
  O     20.52151839      9.84796634     -8.81564943
  H     15.09897251     10.23346796     -8.07322706
  H     19.17674625     10.52729627     -7.83927763
  O     18.35649128     10.94708723     -7.53782481
  H     13.62819815     10.26804460     -7.60636270
  H     16.19363725      4.84410523    -10.88199242
  O     16.73584014      4.52475568    -11.61623610
  H     11.31703306      9.11673588     -7.92600426
  H     16.36260298      4.92367409    -12.41126760
          69
 Energy    -249.34472943674493     
  O     14.78378699      9.77438137    -10.89084289
  H     14.58800680     10.35180453    -11.64129676
  H     18.55944659      4.35860154     -9.97284473
  O     12.76038042     10.39625833    -16.55386873
  H     15.62920387     10.02971842    -10.50113797
  H     12.47143682      7.66391390    -10.72149671
  O     16.78848595     11.11816602    -14.21318171
  H     13.56870352     10.18521165    -17.03693233
  H     13.46452256      8.73755405    -10.21807798
  O     13.41471031      4.77050299    -12.62627559
  H     12.66902824      9.73242599    -15.85719542
  H     17.86633182      7.97910972    -14.41534472
  O     17.17801740      7.42484065     -8.94677834
  H     15.90778788     11.05405010    -13.82077177
  H     17.30558498      7.62195982    -13.01442405
  O     15.78695956     12.46339989    -16.44322453
  H     17.43958631     10.92437032    -13.52360802
  H     12.47219867     13.37193651    -15.36260196
  O     15.66937563      7.45121869    -12.18638375
  H     13.96136589      4.78429321    -11.82658723
  H     12.94309108     11.95328978    -15.76854305
  O     14.13787553     10.95935588    -13.29313295
  H     14.01561006      4.51969495    -13.33563358
  H     13.56277075      8.09371799    -14.61525753
  O     18.53072834     10.20324550    -12.31509372
  H     17.51757558      6.65117912     -9.41128383
  H     12.36968473      8.17247942    -13.64484211
  O     17.91843726      4.90645319    -13.02296590
  H     16.29788711      7.18760757     -8.62843771
  H     15.47167803     10.29436971    -18.78410212
  O     15.51017313      4.41415569    -14.58621993
  H     14.94224776     12.75434639    -16.07884271
  H     15.53549266     11.03407589    -17.42715463
  O     17.91880311      4.97427730    -10.31865851
  H     16.29635167     12.13827877    -15.68663305
  H     10.88400462      6.62015214    -12.33960624
  O     12.88426794      8.01889851     -9.92632762
  H     15.48934099      6.69307027    -11.61890720
  H     12.34647635      6.14833913    -12.49484910
  O     18.11959709      7.65593170    -13.54198338
  H     15.35537613      8.24029032    -11.72812791
  H     13.86008328      7.16623401     -8.79672688
  O     13.18446267     12.74749707    -15.25711806
  H     13.79538523     11.69411247    -13.81658651
  H     14.08220438      6.50369353     -7.41454932
  O     12.85279699      8.67714416    -14.31000021
  H     13.69058675     10.16382597    -13.61702370
  H     16.07988192      4.93630130    -10.41152373
  O     15.34492268     10.17472697    -17.84643062
  H     18.60428453      9.30150200    -12.65274363
  H     14.85806634      5.56470490     -9.69049694
  O     11.78529198      6.93312797    -12.36158285
  H     18.19665574     10.13162891    -11.41299169
  H     15.66659986      7.68152801    -15.26624196
  O     14.49504951      6.65721968     -8.25955482
  H     17.14200176      4.64706724    -13.53174136
  H     15.18743753      7.18781754    -13.87060729
  O     15.14692691      5.16176922    -10.51946952
  H     18.14715379      5.80128189    -13.31072561
  H     17.33072321      9.08064653     -9.44478571
  O     15.03857158      7.09177313    -14.82617759
  H     15.49103008      3.92660443    -15.40631228
  H     17.67388789     10.52695926     -9.01488347
  O     17.32943563     10.00946986     -9.73815736
  H     15.33458839      5.34430928    -14.81030666
  H     16.43689714      9.18759781    -16.64940155
  O     16.85753670      8.88392974    -15.83581494
  H     17.98597620      4.92893523    -11.28944416
  H     16.88468043      9.66278303    -15.25819778
          69
 Energy    -249.34430779400094     
  O      2.11769429     -0.59506731      4.66798388
  H      1.35381124     -1.14390351      4.92285622
  H     -5.16747325     -0.68170924      4.55603855
  O      0.10659371      0.56044877     -2.94553040
  H      2.80998552     -0.78504506      5.29564416
  H     -2.86191205      2.85209402      2.31357851
  O     -0.08459945     -2.05119623      5.32631258
  H     -0.44715479      0.93632334     -2.24764836
  H     -1.38603162      3.01089977      1.83439861
  O     -1.12763402      1.26562588     -0.49737488
  H      0.00121455     -0.39599058     -2.87155843
  H     -2.21038856     -0.23854836      4.70048880
  O     -0.00446785     -2.23851403     -2.22081592
  H     -0.43825231     -2.75077431      4.76585092
  H     -3.29902913     -0.84352712      5.62485419
  O      2.28478841     -1.58432885     -0.89492464
  H     -0.85077408     -1.52753060      5.59831888
  H      0.82018239      2.90661848      1.58796923
  O     -3.86757121      2.96994939      3.88182042
  H     -0.22039776      1.34046842     -0.16668733
  H      0.46242263      2.96821438      3.08207394
  O     -3.85142469     -2.98056639      3.20525845
  H     -1.67076506      1.80439295      0.09340044
  H     -1.19236539     -0.45148905      2.58550923
  O      0.42269200      1.69852055      4.46989041
  H      0.81203005     -2.07653522     -1.71445962
  H     -1.82397478      0.98353977      2.48349478
  O      2.64954615      1.00401480     -2.06462482
  H      0.16468202     -2.99380255     -2.77753470
  H     -1.45354359     -1.75610520     -1.17006977
  O     -5.13711749      0.48250674      3.27477910
  H      2.57389645     -0.76149924     -1.30965017
  H     -1.75237686     -0.38596090     -0.51330368
  O     -5.05296692     -1.39038215      5.21633924
  H      2.33112428     -1.42871258      0.05661243
  H      2.19966322     -0.71171810      2.77469833
  O     -2.23954476      2.59446851      1.62430838
  H     -4.33960297      3.74882632      4.16478377
  H      1.13598736     -1.23033544      1.78595922
  O     -2.40319208     -0.48857307      5.61938611
  H     -3.21599000      2.77134577      4.57732178
  H     -2.21664143      1.36025787      5.96316088
  O      0.29708267      3.40087263      2.23347599
  H     -4.02280407     -2.41771895      2.44051031
  H     -1.10773866      2.30477956      5.49596487
  O     -1.56823545      0.27914085      3.09114498
  H     -4.29798436     -2.55938690      3.95023988
  H      1.99916891      1.50437703     -0.36421191
  O     -2.01693168     -1.32047918     -0.51799679
  H     -0.25419622      1.20010185      3.98616951
  H      1.70970097      0.79062402      0.98491130
  O      2.00278848     -0.79650330      1.83487992
  H      1.12507014      1.06215321      4.64039875
  H     -2.26183757     -3.60397086      3.41791122
  O     -2.02941535      2.29215468      5.78352034
  H      1.77525092      0.91172665     -2.48369891
  H     -1.32299917     -4.83332717      3.49625677
  O      1.48567662      1.56547040      0.44988984
  H      3.21166144      1.45208894     -2.69033960
  H     -0.75347923     -2.66292605      2.24647410
  O     -1.32858081     -3.88059913      3.47026402
  H     -4.71483275      1.33664547      3.42810772
  H     -1.03227846     -1.84721082      0.92903869
  O     -0.48516883     -1.89734183      1.72247981
  H     -4.75012007      0.10431363      2.47697317
  H     -3.53721194     -1.24753451      0.44296567
  O     -4.31401897     -1.18358573      1.02007406
  H     -5.85076189     -1.41793818      5.73653718
  H     -5.07511058     -1.28951982      0.45205441
          69
 Energy    -249.34337995111736     
  O     -6.25159297      0.78909116      0.55861551
  H     -5.79424734      1.44097101      0.00586060
  H     -1.55680456      1.56613081      3.75535120
  O     -5.67899798     -0.49998480     -3.49198481
  H     -6.79615083      0.25516177     -0.03178817
  H     -0.22544018      3.69662865      2.02547801
  O     -5.45239296      2.05596018      2.95928669
  H     -6.35909599     -0.57111889     -2.81204813
  H      1.10853743      4.46655597      1.88390055
  O      0.21658540     -0.63037307      2.19188275
  H     -5.10991787     -1.27036071     -3.37023333
  H     -2.07601404      4.54474786     -0.45380929
  O     -1.93391966     -0.89124255      0.42159686
  H     -5.87419482      1.67254289      2.17965517
  H     -0.58678674      4.22542506     -0.10099622
  O     -3.74852621     -2.55474732     -2.84115422
  H     -5.03576169      1.32088197      3.42399629
  H     -3.93788406      2.30645916     -0.23301912
  O     -4.44775914     -1.13266575      1.49589426
  H      0.94367941     -1.20677499      2.41114519
  H     -4.40003297      2.19592214     -1.69547193
  O     -1.76134581     -0.73060743     -2.26804843
  H      0.56178000      0.03493199      1.56838754
  H     -4.83334272     -2.77561877     -1.27824677
  O     -3.62419906      1.28697178     -3.09017961
  H     -1.23822560     -0.96063151      1.08594218
  H     -5.06733311     -2.37342428      0.20244108
  O      1.02141731      1.22893355      0.40826182
  H     -2.79315492     -1.03421833      0.84453649
  H     -2.49890758      3.74143612      3.04075466
  O      0.54567251      0.92233511     -2.40881638
  H     -2.99424324     -1.95774363     -2.70910122
  H     -2.00945876      2.65608538      2.06660718
  O     -1.56360763      0.63749176      4.02289660
  H     -3.44500058     -3.25296087     -3.41656607
  H     -3.19504508      0.06715249      4.13001262
  O      0.51514549      3.87956015      1.42240432
  H     -4.36473729     -0.95662186      2.44123399
  H     -4.31124670     -0.57678975      4.98727365
  O     -1.27037754      4.10412328     -0.76873518
  H     -5.04564117     -0.45548527      1.14606538
  H     -2.10108388      0.95908439      0.40970921
  O     -4.66692117      2.53580858     -0.83089036
  H     -0.92326353     -0.28115945     -2.42376668
  H     -1.87582727      2.45384499     -0.05141501
  O     -5.49037365     -2.76894866     -0.57098460
  H     -1.82092094     -0.85818369     -1.30746507
  H     -4.22444790      4.30871793     -0.27388318
  O     -1.73992376      3.18090637      2.83979157
  H     -4.40435089      0.78185771     -3.36201262
  H     -3.89263742      4.90857549      1.10350735
  O     -4.12600881     -0.21851314      4.12342557
  H     -2.98562864      0.63053448     -2.78182228
  H     -6.81975836     -1.71183714     -1.00823650
  O     -2.37582746      1.87332368      0.53913941
  H      0.88340624      1.17237752     -0.54505382
  H     -8.30579076     -1.41322370     -1.32353347
  O     -3.70200903      4.99598612      0.16223491
  H      0.92989042      2.15389159      0.66490113
  H     -4.69966976      3.62216598      2.95872840
  O     -7.44575213     -1.00718003     -1.25545496
  H     -0.03934036      1.62942981     -2.73864045
  H     -4.72149241      5.06648729      3.50884217
  O     -4.21727530      4.46904798      2.96323040
  H      1.27610389      0.86618097     -3.01958697
  H     -2.11290907      2.43311813     -3.31409123
  O     -1.22200855      2.78549014     -3.19455993
  H     -0.91054273      0.19170305      3.47032749
  H     -1.25694119      3.38145563     -2.43185614
          69
 Ord_Energy   -249.343124    
 O   -1.37810671      -1.48177290      -2.65215325    
 H   -1.29844093      -1.96348870      -3.48485970    
 H   -1.10264719     -0.579102218      -2.85865307    
 O    2.95456362       2.84458542      -1.14200425    
 H    2.23752928       3.48912454      -1.09749329    
 H    2.69444966       2.12142754     -0.560042024    
 O   0.269736409      -2.87637258     -0.828717411    
 H  -0.289211661      -2.43395495      -1.47959638    
 H   0.174752086      -2.38178992      -6.19834987E-03
 O    3.46518230     -0.758427262      -6.93309069    
 H    3.72090960      -1.27616131      -7.69275808    
 H    2.93640518      -1.34026980      -6.36273098    
 O  -0.401712000       1.10508299      -3.27399158    
 H   0.484409481      0.710389376      -3.32815027    
 H  -0.497803956       1.44446886      -2.37307382    
 O    3.84921718      -3.64745736      -3.70831299    
 H    3.44720864      -3.88529110      -2.86225319    
 H    4.55606556      -3.02609563      -3.49259853    
 O  -0.422603279       1.93847048     -0.648404956    
 H   0.377725571       1.47292888     -0.362660915    
 H  -0.194130257       2.87475681     -0.698603868    
 O   0.602821589       4.49289036      -1.18481445    
 H   0.461871892       4.37380457      -2.14209723    
 H   0.412432641       5.40524960     -0.986726344    
 O   0.224630654       3.87755442      -3.78641081    
 H   0.920197248       3.92347050      -4.45466089    
 H   -7.16776103E-02   2.96025014      -3.77573276    
 O    2.68948054      -3.94428754      -1.14354765    
 H    1.76519382      -3.64300585      -1.06632006    
 H    2.80443549      -4.64602566     -0.508906126    
 O  -0.718100488      -2.53928661      -5.20450354    
 H   0.253716052      -2.50696611      -5.19540262    
 H  -0.963795960      -3.30593729      -5.71600962    
 O    3.45040989      -1.22032225      -1.21650434    
 H    3.19262862      -2.14375162      -1.09835243    
 H    4.28619766      -1.23697805      -1.70174921    
 O  -0.700637937      0.257108688      -5.97156668    
 H  -0.816581786     -0.691340446      -5.84714270    
 H  -0.780297756      0.641205788      -5.08937073    
 O    2.06897116      -4.42289002E-02  -3.35216546    
 H    2.63458085      0.713429153      -3.55857778    
 H    2.45315433     -0.482280105      -2.58229399    
 O    2.33557868       3.72282267      -5.63602686    
 H    2.65135956       4.35537863      -6.27489424    
 H    2.07626057       2.92350960      -6.13248110    
 O   -2.08058023     -0.265932500     -0.101451792    
 H   -1.69096279      0.602688491     -0.277232349    
 H   -2.07611132     -0.742066443     -0.940437198    
 O    1.65055227       1.44471538      -6.85765982    
 H    2.28750801      0.730789483      -6.96920967    
 H   0.802436471       1.03022373      -6.64336824    
 O    5.24850750      0.193734437      -4.88187981    
 H    4.81700659      0.972597122      -4.50223684    
 H    4.71236229      -7.90378004E-02  -5.63516808    
 O   -6.28038123E-02  -1.19368064       1.45527852    
 H  -0.858818829     -0.874099731      0.992794693    
 H  -0.326931149      -1.39514971       2.34885526    
 O    5.67098999      -1.57164180      -2.89326978    
 H    5.56150103     -0.937082410      -3.62428975    
 H    6.60572243      -1.62111044      -2.71284842    
 O    1.83805871      0.534983337      0.238419756    
 H    1.27991068      -3.05002108E-02  0.787645996    
 H    2.45445776      -6.06919713E-02 -0.210396916    
 O    2.00238037      -2.18276310      -5.07576990    
 H    2.62677002      -2.79961681      -4.66512489    
 H    1.97619832      -1.39541149      -4.50989866    
 O    3.68185687       2.17173409      -3.71132779    
 H    3.27874017       2.79727530      -4.32558346    
 H    3.50814414       2.47522044      -2.80735993    
          69
 Energy    -249.34301850108454     
  O     16.66680731     10.59314049    -17.47174286
  H     16.22501319      9.73289104    -17.44985756
  H     17.19953210      5.58184754    -17.23967540
  O     15.41546056      5.41209674    -14.56123057
  H     16.07681948     11.18633651    -16.98212254
  H     17.17507461      4.50179812    -12.10930695
  O     17.89680791     13.06677036    -10.47401593
  H     14.72605014      6.08457527    -14.60512492
  H     16.52541437      5.35720819    -13.22211990
  O     20.79718512      8.70059738    -13.81792597
  H     15.71503996      5.28714401    -15.47079040
  H     21.89835574     10.15780295    -16.40798559
  O     15.56026805      8.07699776    -16.92222920
  H     16.94988756     12.93890475    -10.34100533
  H     20.98847065      9.49114033    -15.34725378
  O     16.45652109      9.91187792     -9.34131187
  H     18.06049263     12.83724644    -11.40006394
  H     17.86311228      9.54117808    -15.07025017
  O     15.27622050      9.12011277    -13.20489792
  H     20.35672353      9.07366378    -13.04416886
  H     16.88301127      8.47857083    -15.65062007
  O     18.14180788     11.84637327    -12.98631102
  H     20.37100357      7.84400769    -13.95955639
  H     15.10256415     12.09249945    -14.83726206
  O     19.04263754      6.58894142    -14.27758089
  H     14.80432700      8.00743003    -16.32542955
  H     14.64927355     13.00863411    -15.97723462
  O     13.66160068      7.66642004    -14.84518047
  H     15.77956450      7.17444378    -17.18783555
  H     16.23550740      8.31319339    -11.89263045
  O     18.78364847      6.14920330    -17.05566792
  H     16.54958484      9.12760264     -9.89724443
  H     17.01952525      7.01286131    -11.59958056
  O     16.24664870      5.37506780    -17.28247276
  H     17.35664842     10.19969722     -9.14387472
  H     18.75084443     11.79887045     -9.60152577
  O     17.18018411      5.37139384    -12.50057333
  H     16.05456825      8.97423697    -13.76806563
  H     19.73752558     11.23866841     -8.54762274
  O     20.99079660      9.94526784    -16.20975196
  H     15.19635364     10.07544829    -13.09152108
  H     18.42678642      8.95671379    -11.58348816
  O     17.39221203      8.72458790    -14.86617851
  H     18.35906695     11.77808029    -13.92647165
  H     19.28803151      9.99005866    -10.81267584
  O     15.04707832     12.15814860    -15.80164517
  H     18.49169849     11.05022320    -12.56221383
  H     15.55737844     11.31291750     -9.89682769
  O     16.89826465      7.92307982    -11.30432625
  H     18.46838046      7.34997976    -14.46358136
  H     14.50952223     12.40430983     -9.57949994
  O     19.11286573     10.97932105     -9.21903242
  H     18.56364689      6.05606387    -13.63432167
  H     18.34066278      9.43270686    -17.99503759
  O     19.15040487      9.59070429    -11.68094620
  H     14.12744596      8.21386183    -14.18971982
  H     19.75822861      9.16821871    -17.44450356
  O     15.16212768     12.14151678    -10.22295012
  H     12.72878903      7.82257113    -14.72498290
  H     16.36251638     11.89634636    -13.03571292
  O     19.04071448      8.77433550    -17.95774743
  H     19.01830852      6.20291823    -16.12060710
  H     15.15280504     12.05532962    -12.08917798
  O     15.39241682     11.87717174    -13.00707866
  H     18.90906760      7.03354952    -17.42986677
  H     17.99824672     11.12102200    -16.33290702
  O     18.60822372     11.21632427    -15.58849902
  H     16.13108609      4.74707600    -17.98943818
  H     19.48091087     10.90756595    -15.86570148
          69
 Ord_Energy   -249.342529    
 O   -5.58619595     -0.649698079       4.04689598    
 H   -4.76161671     -0.132971525       4.08567238    
 H   -6.26706219      -5.94653301E-02   3.73520970    
 O   -2.74800372      -5.04974031       1.94887722    
 H   -2.48797202      -5.49313259       2.76482439    
 H   -3.37947488      -4.36917686       2.21681190    
 O    2.29659247      -3.50705838       3.16060710    
 H    2.98380351      -4.16428518       3.08238888    
 H    1.58395863      -3.90991402       3.68727899    
 O    1.28238630      0.718157828       3.23517227    
 H    1.31656945      0.749645829       2.27048850    
 H   0.978437543       1.57263756       3.56728745    
 O   -2.65098691      -6.58513606E-02   6.90349245    
 H   -2.90158534      0.276078492       6.03049946    
 H   -2.06907177     -0.817367852       6.73602772    
 O    1.38363612     -0.926662564       7.13987207    
 H    1.98867440      -1.06648982       7.86278772    
 H    1.89700007      -1.01583230       6.31516981    
 O   -2.13032150      -5.95949411       4.58002138    
 H   -2.39645410      -6.75377989       5.03643417    
 H   -2.59042597      -5.22026014       5.01418400    
 O  -0.917051375     -0.957105160       3.66848636    
 H   -1.25990009      -1.23809361       2.81057143    
 H  -0.164930552     -0.372594982       3.50850010    
 O  -0.830332637      -2.20142245       6.05656672    
 H   -7.70514309E-02  -1.84430718       6.54466200    
 H  -0.836027026      -1.77685618       5.18025780    
 O   -4.11936855      -2.83456731       3.07672620    
 H   -4.77308083      -2.15770841       3.29209614    
 H   -3.74289823      -3.11156940       3.92314625    
 O   -2.32152271      -1.56389534       1.34907401    
 H   -1.92669392      -2.27190113      0.826319396    
 H   -3.01430798      -1.96709847       1.89020574    
 O    1.20943701      0.387113839      0.471999943    
 H    1.78853834      0.580247223     -0.259925932    
 H    1.19430721     -0.582612336      0.571786106    
 O    2.60759807      -1.16547489       4.76721668    
 H    2.25570202     -0.454547197       4.21200228    
 H    2.58253312      -1.96379876       4.22754431    
 O   -4.93626785      -1.81008637       6.60677385    
 H   -4.29585171      -1.15923274       6.92116261    
 H   -5.33787918      -1.42044199       5.82023525    
 O   -3.17607641      0.607999384       4.26362801    
 H   -2.98233366       1.46505260       3.85587740    
 H   -2.42620587       4.06475402E-02   4.04121923    
 O   -3.16650057      -3.65223432       5.62401867    
 H   -2.34160495      -3.19995546       5.84721279    
 H   -3.87737083      -3.14853764       6.04725122    
 O   -2.21678996       2.77166963       2.96644855    
 H   -1.98408866       2.28458071       2.16004205    
 H   -1.39067268       2.94271874       3.43284106    
 O  -0.205229446       1.42848802       6.70160913    
 H   0.407786608      0.710479081       6.89932346    
 H   -1.08321190       1.08702064       6.90799761    
 O    1.13844180      -2.28290582      0.880927801    
 H   0.426796138      -2.87452269      0.609044135    
 H    1.54945636      -2.68807507       1.65451241    
 O   -1.54575491       1.12029898      0.828249633    
 H   -1.94129825      0.244654939      0.927387178    
 H  -0.622506559      0.956391513      0.604573011    
 O   -1.12369430      -3.83392048      0.149769396    
 H   -1.29750133      -4.20715475     -0.710687220    
 H   -1.64734781      -4.35112333      0.787013471    
 O   0.225317717       2.96612024       4.49890852    
 H   0.581666350       3.80735183       4.77250767    
 H    5.04900888E-02   2.45954514       5.31236696    
 O   0.316090345      -4.48685408       4.72660208    
 H  -0.426450223      -5.09288549       4.62426472    
 H   -9.03513003E-03  -3.75880575       5.26886797    
          69
 Energy    -249.34215022662320     
  O     12.51043243     12.36560398    -14.16640417
  H     12.15226279     11.46891664    -14.09157759
  H     18.19693345     12.46120513    -15.55961907
  O     19.43348271      7.46990548    -10.55564488
  H     12.54800056     12.71420150    -13.26811999
  H     13.03521067      6.90368816    -13.10388857
  O     17.13648806     11.10240934    -11.23750402
  H     19.99095787      8.11833824    -11.00351334
  H     12.26993433      6.40392423    -14.35043449
  O     16.38556321      6.59720412    -12.26250067
  H     18.62114221      7.91990189    -10.29246826
  H     15.91370577     10.67838651    -12.49674833
  O     13.69797989      6.55390062    -11.51110918
  H     17.05519669     10.24475794    -10.79757486
  H     15.13842204     11.12591127    -13.77505296
  O     18.97775643      5.56466368    -12.43746213
  H     17.87735459     11.03417336    -11.85701434
  H     13.59039030      8.60368414     -8.60457594
  O     15.04452112     12.43039295    -15.08184012
  H     17.21786938      6.13432498    -12.41122214
  H     13.70632478      9.22864205    -10.01551279
  O     17.89529599      9.06549207    -15.20181779
  H     16.13730219      7.04502318    -13.08369286
  H     20.81673270      8.45021365    -13.05773080
  O     16.77270376      8.51616353    -10.27416707
  H     13.69671600      7.14357842    -10.74925617
  H     22.03249155      9.08173150    -12.33176358
  O     17.02477024     11.34427787    -16.63632842
  H     14.63247631      6.39164638    -11.70408659
  H     16.70454003     15.39483107    -14.09551957
  O     20.05230794      7.46519620    -14.27798951
  H     19.32208527      4.70991542    -12.19286961
  H     17.36134794     13.99543147    -14.16473363
  O     18.58080184     12.93509360    -14.81194676
  H     19.18470592      6.17443308    -11.70506129
  H     16.17242831     12.70263859    -11.19952545
  O     12.80596203      7.12252871    -14.02505377
  H     15.45562512     13.20750108    -14.68281172
  H     15.97921149     13.87899607    -12.18244465
  O     15.23363599     10.41394706    -13.13013381
  H     14.09425943     12.45992005    -14.88554380
  H     12.51818370     13.86980199    -10.91582793
  O     14.05479709      8.52980623     -9.43418331
  H     17.67192940      9.79202072    -15.79734344
  H     13.88529087     13.30346713    -11.36945149
  O     21.08066423      9.03095817    -12.31985600
  H     17.06214357      8.61115071    -15.01396713
  H     18.61428706     10.10447881    -13.83489281
  O     16.57111144     14.47934863    -13.86475869
  H     15.92293914      8.52909031     -9.81736212
  H     19.81225431     10.24458272    -12.85635484
  O     15.60917605     13.46346038    -11.39388428
  H     16.66680131      7.87402807    -10.99210097
  H     12.02095032      9.87058374    -12.66577391
  O     12.92242667     13.15438919    -11.39858889
  H     16.82891609     11.44880223    -17.56410770
  H     12.01233876      8.87930522    -13.83299507
  O     19.03133529     10.69921757    -13.19538081
  H     16.25439988     11.68483095    -16.14914098
  H     13.87683408     10.33247905    -11.92990561
  O     11.69965476      9.75163859    -13.56850000
  H     19.33537871      7.93051658    -14.72891748
  H     13.00101192     11.32469069    -11.13981105
  O     13.20907751     10.38595315    -11.22867088
  H     19.65209583      6.72953261    -13.79731037
  H     15.34493329      8.88745083    -13.95962722
  O     15.43845094      8.03881924    -14.42429092
  H     18.87098194     12.24923982    -14.19500529
  H     14.54750812      7.67577705    -14.49165388
          69
 Energy    -249.34184169428300     
  O     18.08984567      4.72303568    -10.18738499
  H     17.22698850      4.29626113    -10.09346145
  H     12.45716659      5.11313904    -13.40426839
  O     16.82947066      8.96353439    -14.91042345
  H     18.08632038      5.45108199     -9.55517098
  H     16.18465906      6.99841743    -11.23012838
  O     13.27601341      7.81503875    -11.98236037
  H     17.32545887      9.61476775    -15.39975879
  H     15.50527763      5.61261466    -10.94072927
  O     10.97834634      6.89266030    -15.50125235
  H     17.46627415      8.49611166    -14.34047152
  H     18.56549548      4.81569205    -11.87990091
  O     17.38421783      8.33429654    -10.78245602
  H     12.64219306      7.20190119    -12.37038998
  H     19.55581144      4.34055009    -12.96586951
  O     18.51836774      7.70277760    -13.22917888
  H     14.06057871      7.28205337    -11.77600266
  H     14.45439959      9.70753674     -9.84784693
  O     11.91049203      4.36399688    -10.59404044
  H     11.64906054      7.59959416    -15.48269654
  H     13.44757311      8.64238497    -10.29303997
  O     13.03015632      5.08076911    -16.43914859
  H     10.20704435      7.25457646    -15.92831738
  H     14.43718133      6.29696540     -8.07633877
  O     17.71496354      6.95377895     -8.39312925
  H     17.58193073      8.00523466     -9.89597611
  H     14.61849813      7.76968442     -8.50387503
  O     13.05334933      8.62688691    -15.44074973
  H     16.89271729      9.16181606    -10.70919564
  H     15.37279921      9.47317846    -13.81801789
  O     15.22378648      6.85734903    -15.82454283
  H     18.23588559      7.97735234    -12.34477896
  H     14.15185509      9.08858964    -12.89859527
  O     11.78088052      5.72154106    -13.07729802
  H     18.68991512      6.75650539    -13.16829825
  H     15.89327863     11.59738520    -10.87098067
  O     15.51590112      6.37236221    -11.53568945
  H     12.39252381      3.60874730    -10.95374417
  H     15.36109743     10.46855744    -11.78341615
  O     18.77517498      4.87064151    -12.82921827
  H     11.69769597      4.91730455    -11.35568059
  H     12.76141182      4.72668830     -9.10896902
  O     13.84328816      9.04455423     -9.50795434
  H     12.25638779      5.63105776    -16.26700335
  H     12.86512790      4.40982771     -7.60071206
  O     15.06059934      7.03082453     -8.05973038
  H     13.78495067      5.68378071    -16.45101936
  H     17.07635314      4.86567699    -13.69269127
  O     14.64276908      9.82821556    -13.29310943
  H     18.14563783      7.10230650     -7.55615579
  H     15.88944834      5.61858748    -13.08118665
  O     15.77403258     10.65261006    -10.92232070
  H     16.75423503      6.95572350     -8.22016971
  H     14.91150730      3.36524734    -10.67252301
  O     13.34912536      4.77988722     -8.33431312
  H     13.77579973      8.00190264    -15.59761258
  H     14.78893546      4.17478191     -9.36167610
  O     16.15472096      5.09416838    -13.85347859
  H     13.39649547      9.25893362    -14.80267040
  H     13.66310602      2.85961110    -12.64614388
  O     15.39801220      3.94897078    -10.07693972
  H     15.54729239      6.19053133    -15.20296431
  H     13.57857345      1.49959340    -11.91700633
  O     13.68208736      2.43627138    -11.77032425
  H     15.81982779      7.60765481    -15.70228621
  H     14.61807505      4.19472153    -14.00432861
  O     13.71347352      3.85758703    -14.08346360
  H     11.35149920      6.09083886    -13.85923067
  H     13.41102430      4.10347558    -14.96947729
          69
 Energy    -249.34181870289308     
  O      0.57226189      0.05544360      3.02323051
  H      0.41777307      0.98953708      3.20934671
  H     -2.02251553      1.15005455      6.79349349
  O     -2.68906876      0.16321446     -3.27603761
  H      1.10528522     -0.03836498      2.22031456
  H      0.03994990      3.11882085      2.09186972
  O     -0.48713157     -1.55349986      4.99390293
  H     -1.87686734      0.54891736     -2.92177154
  H     -0.74128453      2.99551155      0.78252056
  O     -4.28088298      0.25198041     -1.02697908
  H     -2.54479185     -0.79108814     -3.25984130
  H     -3.12921599      1.44329405     -0.27176972
  O     -2.27896495     -2.62959131     -2.66142632
  H     -0.87548203     -0.83305158      5.50146307
  H     -1.63481383      1.63235365     -0.56631083
  O     -0.19865006     -1.75724565     -0.88897425
  H      0.04440491     -1.11054690      4.31604468
  H     -1.11143433     -0.01875508      2.39839708
  O     -3.02328087      3.15601193      2.51161173
  H     -3.88081785      0.33500734     -1.90493252
  H     -2.10893167      0.60933501      1.37914124
  O     -4.39854733     -2.52700070      3.71462020
  H     -4.13167481     -0.66537643     -0.76151167
  H     -3.12312828     -2.63634750      0.19815620
  O     -0.43954291      0.92118789     -1.69795728
  H     -2.42945511     -3.40997826     -3.18951222
  H     -4.66657062     -2.59210006      0.14872015
  O     -5.54932014      1.99433420      3.18761832
  H     -2.92414276     -2.65656180     -1.93537723
  H      1.98944066      0.46104650      0.14284464
  O     -3.71516414      0.15635153      4.21527419
  H     -0.72651333     -2.11523742     -1.61298229
  H      1.32099847     -0.92967006      0.05883427
  O     -1.70161678      0.89066696      5.93332605
  H     -0.59612230     -2.12035572     -0.08454827
  H     -1.48213778      2.77504423      3.39617714
  O      0.13410039      3.18831442      1.13370830
  H     -2.92252276      2.87217664      1.59504442
  H     -0.84921839      2.06901929      4.60641546
  O     -2.33528237      1.89469360      0.04946216
  H     -3.90466181      2.86636053      2.77547265
  H      2.53799436      2.79312253     -0.95147176
  O     -2.01126123     -0.08036876      2.04465594
  H     -3.56304542     -2.99801204      3.81463882
  H      1.33210980      2.60017635      0.00107815
  O     -3.87575622     -2.49415305     -0.39585337
  H     -4.23161426     -1.62322724      4.01346342
  H     -1.49054567     -4.46584665      4.33738735
  O      1.84514728     -0.35853638      0.63217730
  H     -0.33377371      0.00914033     -1.39020605
  H     -1.30845073     -2.93075625      4.34005680
  O     -0.62916868      2.51543962      3.78095444
  H      0.39681594      1.37233694     -1.53208110
  H     -1.87422419     -1.73832201      1.55545605
  O      1.86959592      2.16745612     -0.68679483
  H     -6.34459605      2.45344138      3.44277302
  H     -1.65701255     -3.16525114      2.10123893
  O     -1.78121100     -3.66575549      3.90842964
  H     -5.78166510      1.42932162      2.42806040
  H     -5.40166931     -2.54651858      2.30816948
  O     -1.70344153     -2.65590991      1.28490713
  H     -4.40956936      0.78477245      3.98171739
  H     -6.70699663     -3.05030680      1.64616169
  O     -5.94324961     -2.49875368      1.49923661
  H     -3.13502695      0.08274236      3.44056367
  H     -6.11932638     -0.60836394      1.28559004
  O     -6.06697160      0.34127411      1.12445014
  H     -2.48166591      0.65033516      5.40434110
  H     -5.57278745      0.44098748      0.30022640
          69
 Ord_Energy   -249.341812    
 O   -4.71697569       4.02201223       8.68709946    
 H   -4.56465816       3.91018033       9.62165833    
 H   -5.53228664       4.54820681       8.59571838    
 O   -3.50119090       2.83760834       4.96811867    
 H   -2.76535439       2.92398262       4.34455490    
 H   -3.46690273       3.63130760       5.51870489    
 O   -1.59624362       3.66311646       3.15435767    
 H   -2.16837573       4.00025845       2.45225906    
 H   -1.31639886       4.44279957       3.64989090    
 O   -7.10787821       4.10839176      0.706707716    
 H   -7.96601152       4.23472977       1.13027859    
 H   -6.59346390       3.59118176       1.33494055    
 O   -9.05727577       7.62105703       5.35782194    
 H   -9.71444988       6.91708612       5.35266685    
 H   -8.64555550       7.57175398       4.48244476    
 O   -7.16467285       8.07093620       7.23669863    
 H   -7.34158182       8.90282249       7.66716957    
 H   -7.87671757       7.93782043       6.58454847    
 O   -5.70847988       7.73138666       1.52826548    
 H   -4.91107321       7.69175911       2.06883979    
 H   -5.54274416       7.17596292      0.756242812    
 O   -5.32176733       3.16823339       2.91415095    
 H   -4.76133251       2.89522266       3.65486717    
 H   -4.75874805       3.74544311       2.37703538    
 O   -7.93985748       2.16295981       3.42549825    
 H   -7.96667337       1.80141652       4.31932163    
 H   -7.00476265       2.29835892       3.23036909    
 O   -3.24005604       5.16080189       6.59239626    
 H   -3.85321403       5.86749125       6.33913279    
 H   -3.60492182       4.76688576       7.39442158    
 O   -9.24925709       4.45294952       2.53400803    
 H   -9.84134579       4.74084663       3.23802924    
 H   -8.85607910       3.62475872       2.85418844    
 O   -5.28790426       1.86362720       6.88794899    
 H   -4.62094736       2.01084542       6.20457458    
 H   -5.11726952       2.52615833       7.56798983    
 O   -7.83232594       1.35046458       6.16696548    
 H   -8.11043835      0.514882386       6.53138685    
 H   -6.90411758       1.47969675       6.43506908    
 O   -3.63546848       4.90564394       1.59778595    
 H   -3.63629937       5.67194080       2.18983078    
 H   -4.05677557       5.18503904      0.776210904    
 O   -5.06047010       7.01886272       5.69586182    
 H   -5.59210205       6.28944731       5.33579016    
 H   -5.66067839       7.53344584       6.24625731    
 O   -6.57711077       5.08956623       4.56316662    
 H   -7.05400610       5.71717882       3.99988103    
 H   -6.17004967       4.43389273       3.98650837    
 O   -3.53963590       7.09405708       3.35510015    
 H   -4.11469173       7.19758797       4.12680340    
 H   -2.67148781       6.87815046       3.71660876    
 O   -7.89817524       6.91523647       2.95930862    
 H   -7.19263697       7.22982359       2.37549496    
 H   -8.35874176       6.17281389       2.54976726    
 O   -10.5708876       5.18791294       5.01107454    
 H   -11.4143476       4.91008902       5.35969257    
 H   -9.88821411       4.74376011       5.54281330    
 O   -8.44197464       4.07021952       6.33915091    
 H   -7.77605104       4.40704060       5.71846485    
 H   -8.33403683       3.11144423       6.36671972    
 O   -6.99234343       5.43251610       8.32931709    
 H   -7.59325075       4.94944239       7.74662495    
 H   -7.04745340       6.35677004       8.05980587    
 O   -5.31521893       5.75839090     -0.490039945    
 H   -5.36872149       5.73454905      -1.44126964    
 H   -6.02470303       5.18292046     -0.151257411    
 O   -1.30497718       6.02045155       4.79869080    
 H  -0.533169568       6.39326143       5.21803761    
 H   -1.88312399       5.70314693       5.51226854    
          69
 Energy    -249.34171269628115     
  O     13.36516975     11.39974116    -15.75650692
  H     12.53042330     11.20095504    -15.30870441
  H     17.85092495     11.03882947    -12.83414848
  O     15.76473186      7.50192842    -13.10288545
  H     14.00934411     10.80088114    -15.34852255
  H     16.95491542     10.15113558    -17.26381664
  O     15.11047870     11.10361523    -11.12560592
  H     15.57000659      8.24917544    -13.69144750
  H     17.96630907     10.07730782    -16.06895612
  O     15.83969786     12.76957851    -15.40314650
  H     16.16849989      7.87552771    -12.30808245
  H     15.87647587      9.75242427    -15.42872091
  O     13.55716533      7.78946223    -16.71355667
  H     14.25956379     10.85134989    -11.50990596
  H     14.62953819      8.81723743    -15.54707895
  O     11.88671907      9.86413718     -9.10885938
  H     15.56875519     11.68841851    -11.74069283
  H     11.26850727      9.40179024    -14.50287791
  O     13.09282572      7.37241432    -12.38134528
  H     16.37760029     12.10208351    -15.85435696
  H     11.67005573     10.39461317    -13.40667240
  O     17.36858417      6.83036972    -15.32378549
  H     14.91944460     12.54591224    -15.58573039
  H     15.78778092      7.25184484     -7.85705190
  O     13.10521741      7.30066002     -9.56979189
  H     13.41626386      8.52971638    -17.31989464
  H     14.69941318      7.58630679     -8.90423682
  O     19.15355382      9.03831485    -15.07607599
  H     14.30160517      7.27157700    -17.04910217
  H     12.28724599      7.52187824    -15.50204936
  O     15.91543133      6.61535012    -17.58283187
  H     11.23365119     10.22212891     -8.51434405
  H     10.93725079      6.88245567    -15.10622876
  O     18.33660937     10.20633793    -12.79394351
  H     12.75682121     10.16124785     -8.78617543
  H     16.39151242     12.69467167    -13.75944221
  O     17.19899015     10.54872490    -16.41464483
  H     12.55738758      7.29937235    -13.18027476
  H     17.10608563     13.44042577    -12.61112862
  O     15.10823331      9.40830812    -14.95075411
  H     14.02132289      7.29039655    -12.64295315
  H     16.16065566      9.65173045    -10.97932942
  O     11.29847342     10.34311225    -14.29891699
  H     16.86021850      6.88687122    -14.50388620
  H     16.48957265      8.45293402    -10.06294910
  O     15.56172470      7.86773142     -8.54850661
  H     18.04550478      7.51564733    -15.26303677
  H     14.91203483      9.69146915     -8.33960938
  O     11.62111315      7.47169752    -14.79655192
  H     13.04944252      7.18452126    -10.52786708
  H     14.74614022     10.88114521     -9.30521316
  O     16.73252404     12.59674549    -12.85378036
  H     12.55591597      8.06697255     -9.36381659
  H     15.24544295      9.61655619    -18.60448871
  O     16.73384355      8.87364005    -10.89552151
  H     20.10623206      9.04035563    -15.10952892
  H     16.11258888      8.35704257    -18.37551510
  O     14.44158268     10.52580104     -8.45799135
  H     18.90109797      9.44414402    -14.22596725
  H     12.23026885     10.08927468    -10.93848467
  O     16.15450634      9.29240782    -18.61091272
  H     16.46494225      6.66300138    -16.77904174
  H     12.81715850      9.15920604    -12.02760128
  O     12.61139496     10.08354358    -11.82598453
  H     16.15554845      5.80974709    -18.03217970
  H     13.38213176     10.69724092    -17.39489466
  O     13.42491925     10.15619151    -18.20216851
  H     17.94194490      9.69696342    -12.07465878
  H     12.85599281     10.57408261    -18.84339198
          69
 Energy    -249.34074137920084     
  O     18.23667176      8.98951192    -10.67358303
  H     17.93872521      8.24070289    -10.14224843
  H     17.62321271     12.34302178    -11.32080180
  O     14.13508207      9.00968046    -10.61640737
  H     17.49471671      9.28576001    -11.21883481
  H     19.55258508     10.36266456     -8.11767793
  O     18.84609993      3.38985040    -11.45434605
  H     14.60608327      9.51506005     -9.92597523
  H     19.00530136     10.15125582     -9.56002231
  O     21.46732964      6.76559506    -11.79017057
  H     13.24666307      9.35350486    -10.65091589
  H     20.07294003      9.60859136    -13.09777041
  O     15.51757287     10.40731075     -8.82100319
  H     18.56118941      2.48078333    -11.43704555
  H     19.31253396      8.76776718    -12.05010014
  O     22.88916302      8.41798079    -10.01085403
  H     18.08670149      3.91981325    -11.76062573
  H     19.96378382      4.15997724    -12.87081009
  O     17.00257680      8.73243103     -7.20727065
  H     22.09428329      7.23301189    -11.22548509
  H     20.93007431      5.35158884    -12.97525479
  O     21.02852070      7.35950193     -8.11801858
  H     20.95834177      7.45526339    -12.24140974
  H     17.34249552      5.66085098    -12.93043220
  O     19.76946448      9.25452382     -6.66657483
  H     16.06453861     11.17175534     -9.02795255
  H     16.19874850      5.53092404    -11.89150133
  O     17.41247854      6.80049841     -9.18129654
  H     16.01551080      9.86776277     -8.18772283
  H     15.39868925      9.56995314    -11.89189736
  O     17.36638832     12.54560583     -9.43843920
  H     23.81856845      8.57733284     -9.87035489
  H     16.16555060      9.23653845    -13.20772922
  O     17.80306552     12.06112308    -12.22545363
  H     22.48994020      9.27522880    -10.24462617
  H     15.88264527      8.07187361    -15.52051265
  O     19.40813499     10.80373747     -8.96394917
  H     17.10897949      7.96803153     -7.79095473
  H     16.96794285      7.56785168    -14.55679571
  O     19.82623220      8.70552439    -12.87098404
  H     17.89064323      8.93368027     -6.89203625
  H     21.32774685     11.05139954    -11.45298090
  O     20.37490911      4.76158014    -13.50276119
  H     21.70743475      7.70538283     -8.71092741
  H     20.95738805     10.88887456     -9.96926632
  O     16.89935472      5.04204172    -12.33506670
  H     20.59835960      6.63745934     -8.59148600
  H     18.89820615      7.42695733    -13.74510814
  O     16.19061301      9.77337778    -12.40203147
  H     20.19183036      9.32143130     -5.81489120
  H     19.08177074      5.93105538    -14.07341460
  O     16.19688234      8.15379852    -14.62385544
  H     20.21621599      8.53203947     -7.14471072
  H     20.57897875     12.06629636    -13.73043160
  O     21.68112383     10.77374448    -10.60016416
  H     18.17850163      6.27021950     -9.44198141
  H     19.43031966     11.72076186    -12.75550038
  O     18.43653715      6.65176259    -14.09642658
  H     16.63983867      6.49449397     -9.66968886
  H     14.69399404      7.27733599    -10.66010421
  O     20.32648162     11.46264286    -13.03723489
  H     17.43092813     13.35677782     -8.94063061
  H     14.29725616      5.83491955    -10.29178678
  O     15.01311899      6.36197723    -10.64109630
  H     18.14020515     12.00674093     -9.19793698
  H     19.51702821      4.69488570    -10.31268846
  O     19.77511391      5.53842859     -9.92070922
  H     17.17833060     11.34496649    -12.40396485
  H     20.33265246      5.97668010    -10.57968218
          69
 Energy    -249.34034410315220     
  O     14.23803970      9.68385638     -9.59627240
  H     14.63916312     10.50435927     -9.27936778
  H     11.81450677      4.97559232    -11.97814960
  O     17.46579335     12.42146242    -12.88727346
  H     14.93342559      9.20521668    -10.06716577
  H      9.44330054     10.18673177    -10.42899195
  O     11.28866136     11.44054581    -15.03706597
  H     17.57527106     11.80935245    -12.13755282
  H     10.84611149     10.07731126    -11.07513849
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  H     18.32317713     12.80253956    -13.05717744
  H     13.78612985      5.80920856    -10.66159583
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  H     10.80974221     10.73294269    -14.56975138
  H     14.04208121      6.91895863    -11.69716655
  O     15.58382125     11.11985166    -14.55251291
  H     10.64476887     11.90136967    -15.56851724
  H     11.19589444      8.45040901     -9.82629855
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  H     10.35632596      8.55812394    -14.02877860
  H     12.66193719      8.51418583     -9.32499689
  O     16.29915669      8.32502071    -11.01174577
  H      9.87491677      9.37838778    -12.80807860
  H     14.44510787     13.21890923    -12.10819945
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  H     12.61725430     12.17567139    -13.96360650
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  H     14.14015709     11.91722938    -13.80984614
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  H     11.95597507      6.26679656     -9.79264681
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  H     11.74798801      4.79689496     -9.36351793
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  H     14.68798630      6.58999137    -15.78993344
  O     11.88087893      7.94969171     -9.36661411
  H     16.26556923      8.45641513    -11.97187229
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  H     15.88019109      7.46688191    -10.86979484
  H     12.98226907      7.21456493    -17.50894870
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  H     13.29177971      8.31240489    -16.46508073
  O     12.08697442      5.34149903    -10.06866691
  H     15.20623955      3.66957643    -13.08698080
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  H     11.90474057      7.06582533    -15.20796312
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  H     16.98840530     11.25149051    -10.04058540
  H     14.82960326      8.49234301    -13.41239093
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  H     12.87349420      9.02374866    -12.31136093
  H     15.85331669      7.77814976    -14.31729608
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  H     12.56368153      7.84797227    -13.28644699
  H     13.11778711     10.41023452    -10.79016328
  O     12.44105570     10.62481658    -11.44719595
  H     12.74076569      4.56424520    -13.13821880
  H     12.79868516     11.26901686    -12.07064026
          69
 Energy    -249.34011125990378     
  O     -1.38982850     -5.08067562     -4.93788237
  H     -2.03278812     -4.59763437     -4.40309525
  H     -0.34786007      1.68555263     -5.97417687
  O     -1.99390112      2.74168127     -0.26500312
  H     -0.96158368     -4.41132788     -5.48816035
  H     -0.61389197     -0.04578464      0.69521885
  O     -1.26180557      3.12495574     -5.24184281
  H     -2.52454141      3.28879082      0.30941240
  H     -0.72342734      1.48882952      0.53539332
  O     -3.38227964      1.25320569     -4.69721289
  H     -2.61538201      2.22056546     -0.80310282
  H     -1.02932199     -1.74475303     -5.17836184
  O      0.09988341     -2.89534298     -5.96352515
  H     -1.03437297      3.30138978     -4.31141556
  H     -1.26861790     -0.71841398     -3.99920042
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  H     -0.92537582     -2.37271536     -0.49850516
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  H     -1.10672905     -0.94315037     -1.00810323
  O      2.25045313      0.07893658     -0.18437361
  H     -2.97189948      0.40444592     -4.89967105
  H      1.41113236      0.45136019     -5.04793693
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  H      2.73689747     -0.35001169     -4.98344859
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  H      2.94219652      0.13514727      0.46948088
  H     -0.05771543     -5.64105946     -3.94044907
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  H      0.78739654     -6.69885886     -3.18856132
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  H     -1.08361156      3.41301598     -1.83207635
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  H      2.29889241     -3.04137200     -3.61760076
  H      0.25110925      3.06296835     -2.51023833
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  H     -3.74723292      0.29012404     -1.69809489
  O     -3.43755344      1.17320539     -1.95095266
  H      1.86058854      1.31196145     -1.53885596
  H     -1.87329509     -3.28019125     -2.71962481
  O     -2.68623163     -3.17734871     -3.23698243
  H     -0.63794879      0.18053078     -5.80376392
  H     -2.52255705     -2.44157819     -3.83937116
          69
 Energy    -249.34002729211659     
  O     -4.36537136     -0.78161479      1.34069903
  H     -5.10472939     -0.31080645      0.96428349
  H     -1.52757216     -6.24994474      0.29265212
  O     -2.91135456     -1.60621417      6.61800148
  H     -3.59579455     -0.58383888      0.77878937
  H      2.95369218     -2.01806938      3.62532619
  O      1.15526039      0.24232278      2.23273064
  H     -3.36750049     -0.97267914      7.16640767
  H      4.18618819     -1.29252042      3.03517335
  O     -3.60233075     -1.48867590      3.92521031
  H     -3.22479959     -1.46384307      5.70962402
  H     -0.61501744     -2.30605979      2.35675516
  O      2.29703191     -2.91489590      4.92031558
  H      0.42347760     -0.08960278      2.77150028
  H      0.43898220     -3.15155007      1.57701423
  O     -3.30120715     -4.49288461      6.50800155
  H      1.92509249     -0.29167117      2.46125519
  H     -1.29190395     -4.44478927      2.52337926
  O     -0.26910111     -2.41747080      5.98117821
  H     -3.93468515     -1.12798647      3.09327249
  H     -1.52101395     -5.95269906      2.32441948
  O      1.95279982     -5.71875417      4.58838393
  H     -3.77332501     -2.44273013      3.89309229
  H      2.03251008     -2.77651931      0.11042355
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  O      1.59415730     -5.87322944      1.89561092
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  H     -4.01141246     -4.40100998      4.79688627
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  H     -1.07835270     -2.06850814      6.37355586
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  H     -0.54443943     -1.49396707      4.43336456
  O     -1.68598161     -5.22800095      2.93717698
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  H     -1.82518607     -1.09432041      3.66812897
  O      2.16038755     -3.26453143      0.93327316
  H      1.80949908     -5.80586267      3.62905214
  H      0.62965765      1.58436526     -0.52901457
  O     -4.06897728     -4.21733057      3.84943405
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  H      0.74236516      0.54867259      0.61606155
  O      1.48926122     -1.71849513     -1.36100791
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  H      0.79589796     -6.18585971      1.45360505
  H     -1.00349567     -2.95160950      0.02425751
  O      0.49952763      0.66284442     -0.32191606
  H      1.86540054     -5.06078274      1.44935399
  H      0.23643663     -5.43360131      5.36229596
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  H     -1.07651723     -5.19541676      4.61065324
  O     -0.66628701     -5.11747813      5.48584932
  H     -2.14332744     -4.40976719     -0.84383215
  H     -4.56046741     -3.96070300      2.01459653
  O     -4.49867307     -3.71046183      1.08413802
  H     -1.07310339     -7.71400332      0.48633753
  H     -4.48846273     -2.74753160      1.08049982
          69
 Ord_Energy   -249.339798    
 O   -4.91666603       8.58217776E-02  -3.63374949    
 H   -4.42050457      0.501283765      -4.34785318    
 H   -4.55084467      0.463534176      -2.82271242    
 O   -4.64079237      -2.98410702     -0.366143703    
 H   -5.29994106      -3.61087275      -8.23787823E-02
 H   -4.77562428      -2.84757710      -1.32292485    
 O    2.61814308     -0.903568745      0.375780672    
 H    2.00981545     -0.156337857      0.351413816    
 H    2.20369840      -1.55785227      0.953373313    
 O   -3.30705357      0.842101097      -1.44898605    
 H   -3.55996156      0.433201164     -0.609020829    
 H   -2.75813150      0.205029815      -1.93172705    
 O   -4.76332283      -2.62251115      -3.01762390    
 H   -4.86379862      -1.70540226      -3.31326604    
 H   -4.08206558      -3.03139591      -3.56110430    
 O  -0.193214104      -4.43747282      -3.57991672    
 H   0.588770092      -4.08125305      -4.01768875    
 H    4.43651602E-02  -4.51898718      -2.64929390    
 O   -1.01804364      -1.16281581       1.12234902    
 H  -0.590959847     -0.395376205      0.715164483    
 H   -1.34344316      -1.72460389      0.402765274    
 O   0.345449090      0.912290037     -0.179570541    
 H   0.619865537      0.542732596      -1.03341842    
 H  -0.198749647       1.67247605     -0.412726879    
 O   -3.82708383     -0.526497245      0.879089713    
 H   -4.18466616      -1.36388958      0.555850685    
 H   -2.93515277     -0.713029325       1.19660628    
 O  -0.906811774       2.37193966      -4.22706413    
 H   -1.09158254       2.55370760      -3.29852057    
 H   -1.71548021       2.02293015      -4.62196302    
 O    1.04251218      -2.86293650       1.76947427    
 H    1.05409443      -3.13399792       2.68388224    
 H   0.281001538      -2.26650643       1.66436851    
 O   -1.65389538     -0.923575163      -2.81653523    
 H   -1.84890521      -1.06892371      -3.74872160    
 H  -0.729952335     -0.642980039      -2.76441312    
 O    2.47277594      -2.41709495      -1.92736101    
 H    2.73592091      -1.87444520      -1.16955459    
 H    1.80618560      -3.03389573      -1.58967412    
 O    1.41835511       1.23798370      -4.96771622    
 H    2.03923392       1.90397537      -5.24884462    
 H   0.586574197       1.69918096      -4.75024319    
 O   -2.01358867      -1.36152184      -5.58502388    
 H   -2.29859686      -2.26539755      -5.40495300    
 H   -1.06875765      -1.38259757      -5.80651426    
 O   0.523103774      -4.05818939     -0.799326122    
 H   0.806862473      -3.88113904      0.105222613    
 H  -0.378172010      -3.69952559     -0.852245629    
 O   -1.44955754       2.80729628      -1.41367865    
 H   -1.79871559       3.63904810      -1.10301316    
 H   -2.18508267       2.16925454      -1.38704145    
 O   -2.67644787      -3.89174962      -4.60453463    
 H   -1.81583095      -4.09719992      -4.20014429    
 H   -2.96089125      -4.68646860      -5.04983473    
 O   0.672672093      -1.30165660      -6.00926447    
 H    1.23923886      -1.93691432      -5.55556679    
 H   0.991996646     -0.424585104      -5.76194906    
 O   -1.90991461      -2.85688281     -0.900453568    
 H   -2.83639574      -3.02807689     -0.694659472    
 H   -1.88222933      -2.24334192      -1.65013576    
 O   -3.09569430       1.13416982      -5.59764767    
 H   -2.73496008      0.234445259      -5.68701124    
 H   -3.36659288       1.40781832      -6.47082663    
 O   0.981006086     -0.177024111      -2.61004663    
 H    1.54261613     -0.949331045      -2.47026157    
 H    1.27512169      0.289799243      -3.40110207    
 O    2.22988462      -3.20772099      -4.54392004    
 H    2.98221946      -3.69374800      -4.87388134    
 H    2.45587754      -2.92530632      -3.64227676    
          69
 Energy    -249.33963351727795     
  O     13.71873539     11.70737873     -8.62015119
  H     13.73748938     11.81683720     -7.67347370
  H      9.92030090     13.83726219    -14.03466195
  O     11.05127928     10.84977497    -15.27639450
  H     14.30493578     12.38931336     -8.99434373
  H     13.26748402     13.21647227    -12.66462001
  O     14.20842163      9.39004444    -10.20366183
  H     11.30476717     10.97242434    -16.20025731
  H     13.12354319     14.59750551    -11.99509657
  O     18.49097170     13.35213510    -13.28417135
  H     10.92948658     11.73347708    -14.90421073
  H     12.27961774     13.24375293    -17.08541832
  O     11.58031571     11.95725794    -10.47727404
  H     13.35464047      9.24416357    -10.63103180
  H     11.86888363     13.96309210    -15.79375145
  O     11.74607320      9.44251582    -11.57033486
  H     14.08035310     10.13737076     -9.60611708
  H     15.25142346     12.06120505    -12.75877797
  O     13.24150669      9.76644637    -13.86941306
  H     19.40836914     13.61028899    -13.29115789
  H     14.11718526     11.28569616    -13.51906425
  O     14.54540855     15.70475752    -11.47621893
  H     18.28448906     13.01378715    -14.17489015
  H     16.83730166     12.96843994    -15.82116695
  O      9.74276176      9.11342609    -13.49082464
  H     11.87434771     12.66910780    -11.05825790
  H     17.51540958     11.58547105    -15.93930241
  O     15.05557790     13.59825598    -15.60471625
  H     12.22961693     11.91658035     -9.76325074
  H     12.99439195     11.28120051    -17.67272700
  O     14.65796572     11.24748339    -17.23737861
  H     11.59694056     10.32395887    -11.19214709
  H     11.87481479     11.26117599    -18.74206397
  O     10.77021183     13.49654885    -14.30275744
  H     10.97071240      9.22951265    -12.10582805
  H     17.12943971      8.54567615    -10.91300921
  O     12.61380027     13.85298112    -12.33363325
  H     12.56186510     10.08034542    -14.47801857
  H     15.73665009      9.21707157    -10.95946611
  O     12.49810005     13.99795532    -16.52499347
  H     12.78945886      9.58627933    -13.03241780
  H     14.90492834      9.04132789    -14.09448087
  O     14.49650874     12.15850888    -13.35296655
  H     15.17249519     15.56236083    -12.20763025
  H     16.16503885      8.89770566    -13.21462814
  O     17.67669597     12.50660452    -15.69897403
  H     14.58125950     16.63320363    -11.26255120
  H     16.58782494      9.45885202    -15.53845067
  O     12.04375084     11.44044692    -17.82144031
  H      9.28982803      8.40814140    -13.94706280
  H     17.44476982      9.15640358    -16.79126670
  O     16.60930572      9.18285699    -11.39485294
  H     10.11090195      9.68412782    -14.18263558
  H     16.82761549     11.01057706    -11.57969502
  O     15.85089812      8.84016887    -14.12389708
  H     14.20472427     13.89467313    -15.95968127
  H     17.42328254     12.34442826    -12.17530497
  O     16.95275915      9.84628045    -16.35499107
  H     14.86637692     13.06919560    -14.81148250
  H     15.84667314     14.82776374    -14.32075413
  O     16.69562633     11.96316097    -11.66726029
  H     15.40307808     10.67135938    -17.03260439
  H     17.05873865     14.67096926    -13.38383395
  O     16.25747493     15.18835610    -13.52569966
  H     14.82119316     12.06489803    -16.75205262
  H     15.88740217     12.99295631    -10.39946867
  O     15.34289647     13.51459483     -9.79257186
  H     11.38429033     13.67408303    -13.57037687
  H     15.07522349     14.30164560    -10.27926533
          69
 Energy    -249.33958063972085     
  O     16.82362227     12.84528070    -16.41017275
  H     16.90297038     13.58961115    -17.00084507
  H     17.41794972      7.28178319    -17.93722865
  O     15.28632642      7.00365571    -13.82525904
  H     15.88974063     12.80550671    -16.13641530
  H     14.56037770      9.76759262    -15.22176099
  O     18.25887924     12.35371741    -13.97703166
  H     15.35444865      7.89655201    -14.20393613
  H     16.08702137      9.71011894    -15.47683218
  O     19.12715653      6.82068567    -17.47579659
  H     14.95433058      7.11999862    -12.92557820
  H     13.19741938      9.20447931    -12.10062592
  O     13.79808100      7.84692343    -17.89359172
  H     17.50865025     12.06567126    -13.43742323
  H     12.10767616      9.49758515    -13.16466401
  O     16.49965287      9.30806273    -10.92942674
  H     17.87451676     12.62949834    -14.81612147
  H     19.53412049      9.36960561    -12.27208102
  O     11.20509793      8.81466537    -14.65905009
  H     19.38433748      7.55785506    -16.90636045
  H     18.86901383      7.98768055    -12.39014854
  O     13.42404090     12.47458462    -12.91541813
  H     19.13129713      6.04333232    -16.90467484
  H     13.30177286      9.42710016    -16.95853005
  O     18.63014986      4.74358613    -15.53008986
  H     14.76356030      7.76469397    -17.96332894
  H     12.34684462      9.79947329    -15.79566910
  O     14.32504292      7.82186643    -11.35306571
  H     13.44422753      7.55766975    -18.73160545
  H     19.79359360      9.47570487    -14.88621330
  O     16.08392208      5.48748785    -16.08933923
  H     16.34192915     10.11134943    -11.44286589
  H     18.90052334      8.21566302    -14.90039314
  O     16.53426769      7.67435418    -17.88385896
  H     17.42258518      9.07056549    -11.09481003
  H     18.44003324      6.12139995    -14.27113805
  O     15.40245805      9.51775676    -14.82153231
  H     10.28336647      8.58076414    -14.72427617
  H     17.23193510      6.91766232    -13.71360332
  O     12.66673653      9.90707101    -12.49307662
  H     11.71852747      8.01735393    -14.88367516
  H     21.09568672     11.11678255    -13.33557844
  O     19.07353353      8.69328884    -11.76246894
  H     12.92202609     13.05396143    -12.34883001
  H     19.59939264     11.30323654    -13.68429594
  O     13.08941667     10.12228046    -16.32232563
  H     13.11089001     11.56842161    -12.73963560
  H     18.04606927      9.79376897    -16.34967253
  O     19.32091712      8.87256341    -15.47371370
  H     18.78301384      3.80327987    -15.50134467
  H     17.19768606     11.06187151    -16.74506579
  O     18.19256706      6.92342539    -13.79282452
  H     17.69395077      4.87250434    -15.76883742
  H     15.17733172     11.87025390    -12.69476056
  O     20.29877455     10.63865361    -13.54727702
  H     15.12322751      8.34200830    -11.13769606
  H     15.80050068     10.68216590    -13.45356790
  O     17.23417651     10.09885038    -16.78307708
  H     14.05561265      7.38682117    -10.54892054
  H     13.75569973     11.85603352    -16.03493847
  O     15.97967493     11.34043561    -12.76585889
  H     16.19563878      6.21996161    -16.70954237
  H     13.92774978     12.68417978    -14.75036751
  O     14.21226517     12.62563162    -15.67057473
  H     15.74462963      5.88355322    -15.27695816
  H     13.61788819      6.74107973    -14.79145237
  O     12.85059356      6.80170278    -15.37145298
  H     16.69239125      8.58570308    -17.59674716
  H     13.19633054      6.99564596    -16.25187046
          69
 Ord_Energy   -249.339523    
 O    4.52389288       1.60731244      -2.43212819    
 H    4.37168932      0.861107945      -1.83544612    
 H    4.73686647       2.34985423      -1.85447991    
 O    4.85953045     -0.358951092       2.05551052    
 H    5.52811718     -0.873025000       2.49973178    
 H    3.99689889     -0.709960341       2.34332991    
 O   -2.06707048       1.71873093      -3.10945916    
 H   -2.37580490       1.77074707      -2.19619989    
 H   -1.90609479       2.63352251      -3.36891866    
 O    2.04039454       2.04575753      -3.48768759    
 H    2.95284462       1.81938159      -3.25180817    
 H    1.45527077       1.33460236      -3.19368410    
 O   -1.43924725      0.436930567       2.97679830    
 H   -2.01330447       1.20880365       2.89535999    
 H   -1.19552028      0.197079986       2.07499385    
 O    3.72230911     -0.250486434     -0.507811069    
 H    3.01649547      0.342523158     -0.207625940    
 H    4.27675200     -0.398497909      0.266689718    
 O   0.855192125      0.438819170       4.39068604    
 H   0.696509778      0.333423376       5.32488012    
 H   -1.44045996E-02  0.428444386       3.95194626    
 O    2.40635347      -1.27470672       2.73226905    
 H    1.81767702      -1.71297014       2.10748982    
 H    1.85579991     -0.752872705       3.32875109    
 O   -1.43403816       4.51093102      -3.49991703    
 H  -0.649937928       4.36957884      -4.05885744    
 H   -1.98803711       5.13716650      -3.95879817    
 O   -2.91582370       2.75086546       2.31176615    
 H   -2.82928658       2.53311801       1.36759079    
 H   -3.79181337       3.10739326       2.43303156    
 O  -0.517495632      -4.85926792E-02  0.293314576    
 H   0.273879230      0.512432992      0.369294107    
 H  -0.234796911     -0.959005833      0.449357539    
 O    4.72033882       3.73804283     -0.482431978    
 H    4.68827295       3.29368830      0.383600980    
 H    5.36893272       4.43283367     -0.407734275    
 O    1.84169495      -1.96632910      -1.62573147    
 H    1.32690001      -1.38301039      -2.19493985    
 H    2.60610843      -1.44943345      -1.33036971    
 O    1.70258951       1.46170735      0.369217187    
 H    1.82245898       1.79295456       1.26954603    
 H    1.78024089       2.22214651     -0.220459536    
 O   0.686589241      -2.50872993      0.753971756    
 H    1.12923944      -2.42217231     -0.110280953    
 H   0.372098595      -3.40672970      0.815893114    
 O  -0.332584620       4.03624535       2.06394863    
 H  -0.408231020       4.27900743       1.13298488    
 H   -1.19789839       3.68640614       2.30493402    
 O    1.88507736       2.60278273       2.87961769    
 H    1.57332838       1.93263566       3.49956656    
 H    1.13483429       3.17969227       2.66663146    
 O   0.763729393       3.93844938      -4.99664927    
 H    1.26141095       3.24243402      -4.53651571    
 H    1.16859114       4.02686691      -5.85532808    
 O    2.03210807       3.69350505      -1.24735987    
 H    2.94957781       3.85078573     -0.990084112    
 H    2.04398298       3.20732951      -2.08439445    
 O   0.164218724      0.177431703      -2.56579757    
 H  -0.611959219      0.637162805      -2.92073226    
 H   -2.84599494E-02   5.12619801E-02  -1.63041377    
 O  -0.610076070       4.25139046     -0.798900604    
 H  -0.960111499       4.47011709      -1.67157602    
 H   0.344229311       4.13858843     -0.923984051    
 O   -2.26733732       2.06725907     -0.268226385    
 H   -1.65583265       2.79828811     -0.450428724    
 H   -1.72995222       1.27982855     -0.104819201    
 O    4.53087139       2.49391675       1.92281926    
 H    3.68831801       2.64282131       2.37292981    
 H    4.71641731       1.55069971       2.00411558    
          69
 Ord_Energy   -249.339249    
 O   0.650661945      -2.89887762       1.23643804    
 H    1.15592086      -2.20941591       1.68513203    
 H   0.660372853      -2.69364190      0.293342113    
 O   0.735239267      0.927290738      0.509857714    
 H   0.641325057       1.83187211      0.835307419    
 H  -0.133533821      0.520826340      0.657325447    
 O   -1.26205766       2.47610140       4.03113174    
 H  -0.931053996       1.56848764       4.09458160    
 H  -0.729609013       3.01036406       4.63487434    
 O   -5.79189205      0.373488188      0.524617314    
 H   -5.48647642      0.167066753       1.42575729    
 H   -6.72674656      0.183897793      0.505501509    
 O    1.63089430       1.18350744       5.95781183    
 H    1.28180468       2.08078861       6.02214098    
 H   0.926467955      0.651576102       5.56138563    
 O   0.628928781       3.84988737       5.57505846    
 H   0.736938119       4.66759348       6.05224085    
 H    1.21239436       3.89798498       4.79511404    
 O   -9.58579183E-02   3.33568907       1.59876978    
 H  -0.525460243       3.05736208       2.41988277    
 H  -0.786660552       3.30022311      0.921204507    
 O    1.83835661     -0.635431945       2.45384336    
 H    1.55156994      -8.42073485E-02   1.70890498    
 H    2.51369309     -0.125537723       2.91708875    
 O  -0.239407167      -9.62350965E-02   4.28470659    
 H   0.447702348     -0.337780297       3.64857936    
 H   -1.01936388     -0.623893619       4.06880474    
 O   -2.40152287      -2.23914337     -0.570905983    
 H   -1.54499555      -2.35533881      -1.00417387    
 H   -2.38627625      -2.80571771      0.210072622    
 O   -1.87333941      0.133792683      0.914465427    
 H   -2.13632774     -0.546757758      0.281677544    
 H   -2.12151623      0.998592257      0.563495159    
 O   -4.05764151     -0.271617532      -1.62606323    
 H   -4.67315102      -5.60217388E-02 -0.914052129    
 H   -3.61297536      -1.08941734      -1.36513567    
 O    3.42541909       1.18886447       3.90390086    
 H    4.33170748       1.16022170       4.19991779    
 H    2.86826849       1.16656041       4.70251560    
 O    2.12028027       3.71941924       3.31663370    
 H    1.48549163       3.67018223       2.58921504    
 H    2.60643482       2.88641644       3.33304548    
 O   -2.30845356       1.51257110      -2.65484238    
 H   -2.60932994       1.83411801      -3.50054383    
 H   -2.97423053      0.872609258      -2.34321976    
 O   0.203931525      0.227011994      -2.14744115    
 H   0.512308598      0.602719843      -1.31113493    
 H  -0.609426498      0.691365480      -2.37770629    
 O   -4.66193581       2.97175360      0.948371947    
 H   -5.13586426       2.15655327      0.741636932    
 H   -4.48579550       2.94414759       1.89756405    
 O   -3.99316406       2.64392018       3.71631622    
 H   -4.32582998       3.17947602       4.43285894    
 H   -3.02972507       2.59909010       3.82897353    
 O   0.226172879      -2.40158820      -1.56547737    
 H   0.265576541      -1.46675038      -1.83614767    
 H   0.634171307      -2.90669775      -2.26361752    
 O   -1.85743308      -3.70412922       1.81117475    
 H   -1.87542844      -4.63144207       2.03015661    
 H  -0.922861278      -3.46508431       1.66416824    
 O   -2.44651747      -1.32201743       3.16684794    
 H   -2.24382639     -0.735683322       2.41843271    
 H   -2.32523227      -2.22147202       2.83924603    
 O   -2.17982364       2.74789357     -0.133908615    
 H   -3.08155847       2.93754292      0.168237150    
 H   -2.22037148       2.47707415      -1.05859482    
 O   -4.90297127       1.51380999E-02   3.06533170    
 H   -4.13643932     -0.554509699       3.21157670    
 H   -4.64265490      0.889785290       3.38013911    
          69
 Energy    -249.33903708581124     
  O     21.24754711     11.99879355    -18.61226782
  H     21.49178013     12.89147286    -18.30695757
  H     16.05822197     11.05372347    -13.89815070
  O     15.51278020     17.27931993    -14.06579546
  H     21.96578379     11.68494438    -19.15453832
  H     20.23056480     17.89460766    -15.45633918
  O     22.17583134     15.24592531    -14.98014140
  H     14.91243007     17.96926422    -13.79748436
  H     19.82022372     17.26249225    -14.11712119
  O     17.29094379     11.45826568    -17.00110483
  H     15.82208080     17.51186961    -14.96167062
  H     17.85003728     11.99479099    -12.73406469
  O     16.50379600      9.57606292    -15.08233032
  H     21.62640683     16.04371099    -14.87886050
  H     19.27138593     12.56901371    -13.12440285
  O     21.78383480     14.48407047    -17.70694369
  H     23.00863768     15.43391483    -14.55519609
  H     19.51456397     10.11242457    -14.76259443
  O     19.46121356     15.98241284    -18.11835383
  H     16.81532298     12.25879546    -16.73541757
  H     19.06474681     10.39751912    -13.31445118
  O     15.39259397     14.48524038    -13.54809977
  H     16.93271834     10.73610108    -16.47051847
  H     15.77079822     15.06766486    -17.56583327
  O     20.27554186     13.23804375    -14.46828258
  H     17.38392247      9.53179382    -14.66657527
  H     16.42097276     15.49895225    -18.89356466
  O     18.50267574     12.38113607    -19.36805821
  H     16.13326528      8.69888665    -15.03790803
  H     17.30712753     16.99699703    -13.59476141
  O     19.31594261     18.47824791    -17.03643220
  H     22.02766847     14.73741436    -16.80947485
  H     18.10782147     15.96768582    -12.76593088
  O     16.16362630     11.71024289    -13.20001734
  H     21.04660180     15.06057899    -17.95078792
  H     16.29095953     17.20287492    -17.13504470
  O     20.58389745     17.43677475    -14.68415210
  H     19.10089107     15.60622064    -17.29894336
  H     17.43237367     18.14345873    -16.64998913
  O     18.74261561     12.19537224    -12.40299747
  H     18.91132799     15.66918749    -18.84698270
  H     17.42272626     14.60527144    -10.70521055
  O     19.01729614      9.74283125    -14.02009634
  H     16.09268633     14.46011311    -12.88294500
  H     18.06481309     13.74229282    -11.81038183
  O     15.85003216     15.80844664    -18.18127583
  H     15.27433455     15.42355727    -13.74752762
  H     19.04815875     11.30332219    -16.51790848
  O     18.19509441     16.64687062    -13.44750421
  H     20.31695290     12.52805137    -15.12598116
  H     20.50072365     11.33335576    -17.05938554
  O     16.53298378     17.85833885    -16.46280363
  H     21.02949352     13.82794540    -14.59126017
  H     18.38948378     15.64559672    -15.03125767
  O     17.59895626     14.57768374    -11.64259963
  H     19.43681095     12.21631335    -19.19362434
  H     19.12877277     14.32134335    -15.32215875
  O     19.97580694     11.18555425    -16.26351272
  H     18.01150493     11.97478973    -18.64179255
  H     17.68941242     14.93061857    -21.01804208
  O     18.54581485     14.98367748    -15.71632155
  H     19.58420009     19.17918051    -17.62542389
  H     18.01568922     13.95717580    -19.86074715
  O     17.79354980     14.88214626    -20.07185278
  H     19.42116535     17.64424116    -17.52629992
  H     15.70423847     13.97415274    -15.32935328
  O     16.12371108     13.82694667    -16.18487682
  H     15.64424696     12.48424091    -13.43937999
  H     16.99640719     14.24440056    -16.10043134
          69
 Energy    -249.33882455367416     
  O     16.77539604      9.97074255    -17.08221809
  H     15.90931353     10.39741042    -17.06426423
  H     16.68744591      7.13296273    -11.10790031
  O     14.48829976      5.70739827    -13.06849846
  H     16.77723352      9.30738375    -17.78439273
  H     21.55533246      9.09139519    -16.32539251
  O     19.37005711      8.20559484    -13.70015307
  H     15.16868938      5.81858040    -12.39495352
  H     20.15165204      9.71281850    -16.11591912
  O     14.58583000      6.84111719    -17.59556750
  H     14.96148644      5.58809773    -13.90472904
  H     17.66474123      8.31385584    -14.42043416
  O     17.06357475     10.18958968     -8.59133258
  H     19.92569186      8.42857099    -14.45725511
  H     16.78838418      8.92467618    -15.56203908
  O     14.88344199      9.36000838    -13.02171980
  H     19.33993066      8.97092719    -13.10905986
  H     13.67317485     11.62016354    -17.29472651
  O     18.00678247     12.37491302    -13.77893245
  H     15.32748953      7.14693368    -18.12987348
  H     13.81487601     10.28787200    -16.51907833
  O     18.76519671      5.60229986    -13.03305339
  H     14.98594323      6.32717060    -16.88038164
  H     15.96994639      9.12334519    -11.64396573
  O     12.71479141      7.68326289    -13.56401992
  H     16.24519279     10.55851551     -8.26738271
  H     17.48319564      9.38104380    -11.41049465
  O     18.58006749      4.70913437    -15.56993740
  H     16.83476501      9.70016951     -9.39764953
  H     13.59215712      8.06256567    -16.73224577
  O     15.97350030      5.78008629    -15.41223105
  H     14.05520996      8.87936870    -13.13423819
  H     12.95041006      8.36049624    -15.35065628
  O     16.62657745      6.16832762    -11.19805463
  H     15.51344277      8.98617275    -13.65981764
  H     20.14902526     11.15607354     -8.86222516
  O     20.65896216      8.88057563    -16.07958109
  H     17.06124235     12.20690809    -13.94326440
  H     18.64665638     10.92297590     -9.09105074
  O     16.76687078      8.37035921    -14.77094908
  H     18.09321506     13.31041059    -13.61453254
  H     18.60255961     11.08929591    -12.61580651
  O     14.26063590     11.13137968    -16.72573730
  H     19.07843014      6.50482294    -13.19580758
  H     19.20370735     10.71178976    -11.21859511
  O     16.70731072      8.93353266    -11.04505060
  H     18.03419451      5.68804876    -12.41142056
  H     19.60881741      7.53078820    -16.93270520
  O     13.16381547      8.75273726    -16.20314017
  H     13.29604694      6.92368938    -13.37680434
  H     18.92176253      6.15113884    -16.74798252
  O     19.46114559     11.23465294     -9.51848366
  H     11.84766779      7.45065685    -13.24433078
  H     15.13425703     11.05453901    -13.69916808
  O     18.89303971     10.35288386    -12.06177960
  H     18.90953178      3.81805236    -15.64716229
  H     14.98940771     11.72029780    -15.07638075
  O     19.00589587      6.90271553    -17.34734829
  H     18.68151714      4.96710278    -14.63550959
  H     18.29088696     10.76651293    -16.51863378
  O     15.39855698     11.83179428    -14.21017014
  H     16.79104309      5.28448964    -15.53287226
  H     18.81413102     11.56437707    -15.30804321
  O     19.10153759     11.06951419    -16.08317288
  H     16.23704539      6.68879157    -15.19794529
  H     17.70430218      7.45427727    -18.34672624
  O     16.96982672      7.83457950    -18.86265331
  H     16.65028966      5.81200603    -10.31261919
  H     17.20253409      7.73906630    -19.78207812
          69
 Energy    -249.33850394003335     
  O      3.69925450     -1.17614946     -2.18899485
  H      2.98953498     -0.66975941     -2.59902816
  H     -0.70930073     -6.92256213     -3.44840393
  O     -3.01811760     -3.30901119     -0.35992673
  H      3.54967442     -1.13286813     -1.23486423
  H      2.69445841     -4.01684974     -2.91605103
  O     -1.32661559     -1.93048809      2.60995484
  H     -3.11578714     -3.75655014     -1.21506378
  H      3.71347888     -3.01060914     -2.36257068
  O      1.98736157      0.32720035      2.51958442
  H     -2.19108967     -3.62035872      0.02513511
  H     -2.24075753     -4.93941428     -2.99994790
  O      0.67297037     -2.33664391     -1.04039625
  H     -2.28903528     -1.97580814      2.57256889
  H     -2.85540814     -3.59707333     -3.48426642
  O      2.22067668     -3.89172820      1.79290501
  H     -1.07493035     -1.10755416      2.16237992
  H     -0.42539570      0.42205787      0.39285647
  O     -3.37861007      0.52081403      0.66230371
  H      2.50618937      0.91259111      3.06481043
  H      0.28023072      0.56706166      1.76443147
  O      0.03101250     -1.54120450     -4.75856340
  H      1.78740586     -0.45995535      3.05787172
  H      0.80354110     -3.33832948     -2.57738714
  O     -4.05337988     -2.02830382      1.85224689
  H      1.51662579     -2.11160552     -0.62545887
  H      0.35216610     -4.59904849     -3.37300305
  O      3.19824812     -5.54579159     -0.23824443
  H      0.23956330     -1.49031179     -1.20692117
  H      1.00602403     -0.32597243     -4.01853922
  O     -0.49484499     -3.87337637      0.85073529
  H      2.67868279     -4.50675476      1.20374775
  H      1.82829093      0.98350354     -4.09232873
  O     -0.73457950     -6.06637819     -3.02927995
  H      1.28499525     -3.97465210      1.56909360
  H      1.36658736     -6.03046333     -0.48571198
  O      3.49939364     -3.95370084     -2.38638082
  H     -3.72548908     -0.22689134      1.16456056
  H      0.00459991     -5.50719766      0.01642998
  O     -2.97325797     -4.32526434     -2.86353467
  H     -2.49057606      0.67853053      1.00758905
  H     -2.88054906     -1.68212886     -1.27918286
  O     -0.57993470      0.43100374      1.34930678
  H     -0.92811563     -1.60482284     -4.68883397
  H     -3.17281116     -0.20070382     -0.99469395
  O      0.89666912     -3.80492191     -3.42233596
  H      0.37728722     -2.38518414     -4.43384467
  H     -2.88607511     -1.35545828     -3.40413838
  O      1.50042275      0.32409523     -3.48636287
  H     -4.87925983     -2.38834855      2.16552029
  H     -3.49175156     -1.49683581     -4.81723385
  O      0.41286118     -6.14739435     -0.57917474
  H     -3.81753604     -2.52436985      1.04988101
  H     -1.19567357     -0.03096580     -1.69755410
  O     -2.89132944     -0.80870882     -1.69412516
  H      3.90211457     -6.18896975     -0.23557375
  H      0.26123502      0.38943407     -2.14507864
  O     -2.77364619     -1.79510532     -4.26336614
  H      3.35323975     -4.96544680     -1.00617279
  H      0.34330292     -2.06039582      3.55612315
  O     -0.31579181      0.22267131     -1.38796158
  H     -0.79083663     -3.25911658      1.53824197
  H      1.70920037     -2.72954458      3.27138581
  O      1.28980284     -1.99834632      3.74195046
  H     -0.09749384     -3.34001082      0.14017838
  H      2.80297445     -2.29453915      0.99501340
  O      2.86151067     -1.47271444      0.48964683
  H     -0.34538763     -6.17445159     -2.14291830
  H      2.62193676     -0.76258050      1.09677579
          69
 Energy    -249.33832073905222     
  O     18.52201311     14.52220887    -16.24976697
  H     19.31412618     14.14224707    -16.64840990
  H     17.86476129     10.43016702     -8.32988828
  O     21.71732121      9.24364582    -14.78357930
  H     18.81126275     14.96035159    -15.43964001
  H     20.76937594     16.56514832    -11.08707022
  O     19.21563423     13.24596591    -10.03548840
  H     22.52515782      8.74190082    -14.85768674
  H     20.68651029     18.00343842    -11.65471868
  O     20.26827578      9.66656139    -10.27414332
  H     21.94710443     10.08475801    -14.34975269
  H     20.79943401     12.49176332    -10.64032115
  O     16.44456813     11.09232724    -11.51734868
  H     18.66920329     13.48023102    -10.79919666
  H     22.33072038     12.71398819    -10.61626259
  O     20.31620315     10.72474943    -16.80239200
  H     18.78898511     12.49186763     -9.61042368
  H     17.65121787      8.90422865    -13.42547364
  O     21.83440440     14.17694569    -14.69953933
  H     20.90130290     10.37922696    -10.42739797
  H     16.59032953      9.89206601    -12.92522525
  O     20.88439361     15.48225910     -9.72992273
  H     20.05511083      9.30333737    -11.14468279
  H     21.28312855     13.42221563    -18.09374536
  O     22.02484104     11.66909773    -13.58120792
  H     16.88885075     10.89020958    -10.68402163
  H     20.74173939     12.37332770    -17.09321980
  O     15.40717196     13.37730599    -13.63722205
  H     16.78483653     11.95539303    -11.77091703
  H     22.43182601     16.22349174    -12.44794061
  O     17.72698162     10.78884027    -15.82046861
  H     19.37639369     10.63204686    -16.58952435
  H     22.85907352     15.11419208    -13.42605725
  O     18.06996085     10.80398055     -9.18247961
  H     20.79074202     10.12372618    -16.21731365
  H     19.88182634     16.08083505    -13.15684581
  O     20.79221034     17.09039770    -11.90756487
  H     21.65092556     13.94230956    -15.61793104
  H     18.89590807     14.88358238    -13.21008822
  O     21.64509481     12.08704008    -10.87969170
  H     21.02173892     14.57169373    -14.34987529
  H     23.38379920     14.67433431    -11.15651893
  O     16.82346723      9.33069719    -13.67863633
  H     20.24652764     14.75643494     -9.69939082
  H     24.26217411     14.30994965     -9.93470731
  O     20.93549038     13.32068913    -17.21172953
  H     21.75658427     15.07006818     -9.75244195
  H     20.26172796      8.89925426    -13.55685931
  O     23.13282149     15.58451932    -12.62807430
  H     21.94680234     11.77793818    -12.62220169
  H     19.30179279      9.97926360    -13.03555896
  O     19.51039481     15.40719115    -13.74069711
  H     22.10104764     12.55013159    -13.97226402
  H     18.78858190     11.50099713    -14.49597765
  O     23.39260483     14.19570270    -10.30798062
  H     15.59381150     13.27485303    -14.58164729
  H     20.16384535     11.78436412    -13.78821084
  O     19.55685531      9.05230700    -12.91665849
  H     14.95059181     12.58185560    -13.36296896
  H     15.72261683     13.36481592    -17.09749783
  O     19.20740632     11.77459278    -13.66834765
  H     17.29751427     10.22610953    -15.15712486
  H     17.02674409     13.67121543    -16.31941454
  O     16.21794550     13.12638727    -16.31838171
  H     17.12130809     11.50325978    -16.04904868
  H     18.30937240     12.95915008    -12.84022190
  O     17.80140435     13.64571294    -12.37108714
  H     18.84316432     10.31946570     -9.52445266
  H     16.93377650     13.71720404    -12.79471150
          69
 Ord_Energy   -249.337952    
 O   -12.3018980      -3.53333855       3.19962788    
 H   -11.8492832      -3.70535159       4.04084682    
 H   -13.1687441      -3.92076778       3.28876042    
 O   -3.91346478      -3.10004330       4.92746687    
 H   -3.17999077      -3.70932627       4.95530176    
 H   -4.31807280      -3.18424964       4.04662037    
 O   -9.02304649      -2.24678183       3.61551905    
 H   -9.56091785      -2.28558373       2.81722689    
 H   -8.21526718      -1.75640559       3.41451645    
 O   -7.85421324      0.601166546       1.04822886    
 H   -7.61464357      -3.46984994E-03  0.333889931    
 H   -8.81160069      0.572298467       1.16452968    
 O   -10.6695614      -2.30213404       1.36749315    
 H   -11.3338461      -2.72595882       1.93396831    
 H   -10.7946491      -1.34574008       1.41107702    
 O   -3.82963014     -0.234627560       4.96614218    
 H   -3.76014280      -1.19719529       4.96721077    
 H   -3.74586296       5.74148595E-02   4.04930735    
 O   -6.41441679      -3.43457055       6.32368803    
 H   -6.99083138      -3.96103406       5.75333214    
 H   -5.55490303      -3.37403202       5.89293385    
 O   -8.34408569      -3.45976853      0.358704805    
 H   -9.21051311      -3.10296845      0.598575115    
 H   -7.85583591      -2.74323297      -6.17569610E-02
 O   -10.6171370      0.507606685       1.65008116    
 H   -11.2733135       1.13022757       1.34805059    
 H   -10.4747391      0.690814674       2.59711885    
 O   -6.85868216      -1.27244246     -0.771419466    
 H   -5.98274708      -1.28637528     -0.345021188    
 H   -6.70617342      -1.22362089      -1.71156514    
 O   -5.25698042      -3.14056492       2.57192659    
 H   -5.84974623      -3.87756729       2.38064909    
 H   -5.80356455      -2.36164904       2.76687074    
 O   -3.80903292      0.864447057       2.30460858    
 H   -4.61312819       1.41174793       2.33917928    
 H   -3.09308243       1.45338392       2.07720852    
 O   -9.97169685      -1.22131813       5.95774031    
 H   -9.66120243      -1.57690883       5.10791254    
 H   -9.20520401      -1.21530390       6.54379940    
 O   -4.50586462      -1.31669116      0.575815260    
 H   -4.60939980      -2.05969834       1.18548226    
 H   -4.23655796     -0.566626370       1.12059999    
 O   -7.09784269      -5.19356728       2.00663376    
 H   -6.97161913      -6.01438713       1.53822207    
 H   -7.59259415      -4.60599422       1.40563977    
 O   -7.53796816      -1.28328741       7.44834995    
 H   -7.47365093      -1.34466279       8.39743805    
 H   -7.13316011      -2.09328747       7.08543062    
 O   -6.12053204       2.32662916       2.34639692    
 H   -6.63656187       2.55601168       3.12773514    
 H   -6.73961592       1.87676203       1.75397956    
 O   -10.1012774       1.05970907       4.23747158    
 H   -10.1371107      0.383748502       4.92584658    
 H   -9.33701706       1.61788356       4.42262650    
 O   -8.25503731      -4.66478348       4.58811188    
 H   -7.88340950      -5.08044434       3.80273318    
 H   -8.56186485      -3.79857326       4.27182913    
 O   -10.9300098      -3.95881462       5.58957720    
 H   -10.7182579      -3.07397962       5.91289282    
 H   -10.0858011      -4.39090395       5.41277504    
 O   -6.36345673      0.458849162       5.60941124    
 H   -6.73213863     -0.111012667       6.29543924    
 H   -5.41644716      0.269990385       5.51916218    
 O   -6.73912287     -0.891956329       3.15283728    
 H   -6.59089136     -0.391613126       3.96468234    
 H   -7.04628897     -0.284597903       2.46737909    
 O   -7.72499895       2.60672760       4.71593332    
 H   -7.21232891       1.87799692       5.10997105    
 H   -7.68893814       3.33354402       5.33297586    
          69
 Energy    -249.33707015957390     
  O     14.29565286      9.11623397    -10.45530997
  H     13.99856085      9.78594047    -11.08453432
  H     14.80823016      4.77060787    -14.88194138
  O     12.77588741     11.14283179    -16.03347201
  H     13.55067302      8.53173413    -10.26461482
  H     18.33575592      4.62263758    -11.33592269
  O     16.44251165     11.20340952    -13.14181828
  H     13.71540890     11.38971291    -16.00828300
  H     18.53944323      3.14438060    -11.75204481
  O     13.45642221      4.32497383    -13.58965745
  H     12.44075030     11.46937936    -16.86439213
  H     11.64296037      7.03763120     -9.44267841
  O     16.95915637      6.82514577     -8.21888099
  H     17.00334938     11.13974175    -12.35990341
  H     13.10639522      6.58908892     -9.68085967
  O     15.47011336     11.73875014    -15.81728601
  H     15.53520242     11.04539125    -12.85224948
  H     18.87292280      6.84130213    -14.64144440
  O     15.88012312      7.46358145    -12.10359077
  H     12.98475480      5.14943385    -13.37142742
  H     20.13284242      7.60692743    -15.11229981
  O     13.67655596     10.85905273    -12.50657545
  H     12.78973331      3.66525984    -13.75975665
  H     12.64321121      9.67325881    -14.98902306
  O     18.52353816      8.20211291    -12.02662922
  H     16.86471070      7.76722030     -8.44702109
  H     13.64086431      8.56029869    -14.56240382
  O     18.19866439     10.68120258    -10.96538419
  H     17.20118012      6.79164134     -7.29669988
  H     12.29577217      7.46186216    -13.34030101
  O     18.11829962      5.32968979    -14.46083690
  H     16.07260759     11.03020435    -16.07560210
  H     12.23419277      6.83958201    -11.91704607
  O     15.52367222      5.16398098    -15.39357903
  H     15.73151473     11.92083610    -14.90702577
  H     14.80315070      5.24630142     -9.99728848
  O     18.04774653      3.93340271    -11.96228580
  H     15.71388137      6.53065929    -11.91395802
  H     15.30618539      6.07647546     -8.79961218
  O     12.38549074      7.14565944    -10.03057821
  H     15.33982074      7.99294169    -11.50429824
  H     16.25138940      4.33721557    -11.80303165
  O     19.29846046      7.71964819    -14.66579147
  H     13.14699825     11.64085740    -12.64434073
  H     14.77395673      4.48130661    -12.31984965
  O     12.80851618      8.99606822    -14.31730631
  H     13.35019944     10.19233164    -13.13419881
  H     18.12644323      6.20192319     -9.56545154
  O     12.23440788      6.62790049    -12.85770845
  H     18.89704643      8.05935838    -12.90489774
  H     18.78794870      6.76289301    -10.84215403
  O     14.50859542      5.71403691     -9.20214310
  H     17.59118949      7.93333309    -12.06694531
  H     15.92552981      8.46214014    -15.10898299
  O     15.39473370      4.74671236    -11.62913896
  H     18.40891021      9.80185902    -11.32761909
  H     15.46921417      7.69159890    -13.84279040
  O     18.69915418      5.96482796    -10.30533372
  H     19.03014851     11.11969851    -10.80245643
  H     15.73425496      9.37527996     -9.39251848
  O     15.24405099      7.86898699    -14.76843347
  H     17.23826202      5.19685201    -14.84324777
  H     17.16627718      9.92405712     -9.53385905
  O     16.59809686      9.40397310     -8.95543014
  H     18.14746198      4.80862588    -13.65160984
  H     17.13360745     10.11975456    -14.52973291
  O     17.30639760      9.62170507    -15.34316324
  H     15.37541180      6.11876551    -15.33686417
  H     18.04730651      9.02875717    -15.16912724
          69
 Energy    -249.33642868052340     
  O     13.08168484      2.90282797    -11.76771205
  H     13.03031984      1.94129748    -11.70156313
  H     18.81350088      5.82132275    -15.13074748
  O     12.28070113      3.60272587    -14.35005609
  H     12.80599103      3.12362605    -12.66992903
  H     13.58615235      9.09339745    -10.34766638
  O     15.90228802      3.02846629    -11.77328150
  H     11.60535902      4.26557909    -14.16712428
  H     13.45159046     10.62716881    -10.49975639
  O     18.91163621      6.29657791    -11.66617760
  H     13.07329430      4.09479408    -14.61601543
  H     14.59930711      7.21233022    -12.63403707
  O     12.67641135      7.29032669    -14.94588383
  H     16.21429194      3.75189627    -11.21400461
  H     13.83409965      6.07170767    -11.89877776
  O     13.25353668      0.99936003    -14.79867839
  H     14.93594452      3.04742153    -11.74416677
  H     11.65396929      5.66819523    -11.91487925
  O     13.25900523      0.10454456    -12.05726625
  H     18.77696006      6.06665917    -12.59389433
  H     12.46882755      4.56664745    -11.17951444
  O     18.58885680      8.97215781    -11.48772355
  H     18.15845616      5.92101110    -11.18855309
  H     16.11201017      0.37142406    -16.03018914
  O     16.46341282      9.14298321     -9.63036793
  H     13.31937046      6.61534266    -15.19584743
  H     14.96104273      0.96976683    -15.18883325
  O     14.52437650      5.11293822    -14.82445880
  H     13.18306875      7.96711301    -14.47437202
  H      9.92225843      6.21890357    -13.76207999
  O     17.02865879      8.46245584    -13.82447670
  H     12.80112724      1.85289500    -14.77786227
  H     11.41842524      6.46618638    -14.07370110
  O     18.20759842      5.82764085    -14.39255483
  H     13.12044145      0.60732039    -13.92695371
  H     15.93329165      5.77163954    -11.19370854
  O     13.95875387      9.87525210    -10.79464080
  H     12.99896028     -0.69914608    -11.61596844
  H     16.26895081      5.79897661     -9.68360092
  O     14.66962382      6.29864733    -12.32782470
  H     14.22940692      0.08001829    -12.14077835
  H     16.58013386      2.62344473    -14.81561849
  O     12.24741118      5.50794459    -11.16871912
  H     19.42640867      9.42341176    -11.42490287
  H     16.49194339      3.35620649    -13.45811220
  O     15.92957281      0.94494103    -15.29072047
  H     18.78237841      8.01696182    -11.49306021
  H     16.08985888      1.20274950    -12.10173273
  O     10.80135487      5.90507916    -13.56892079
  H     17.18991984      9.13814314    -10.26585314
  H     16.08394465      0.39736287    -13.41191379
  O     16.52673755      5.39840803    -10.52190392
  H     15.69516936      9.51337102    -10.08157927
  H     12.70705840      6.88188274     -9.97800268
  O     16.74507335      3.47205107    -14.38674614
  H     14.59426238      5.53091761    -13.95172189
  H     13.87936174      7.28432660     -9.04928891
  O     15.94072434      0.31636259    -12.46149750
  H     15.29284706      4.53492514    -14.88777948
  H     15.98844326      7.73475298     -8.74799153
  O     13.11031310      7.62990258     -9.51944347
  H     17.33533701      7.58256742    -14.07013948
  H     15.85258147      6.95746450     -7.41499912
  O     15.63527929      6.92064854     -8.34245371
  H     17.57052457      8.73098513    -13.07183409
  H     14.24911713      9.34000953    -12.55199821
  O     14.36781401      8.86178090    -13.38171680
  H     17.73248518      4.98250133    -14.42584980
  H     15.31340673      8.84687838    -13.60141761
          69
 Energy    -249.33610142838739     
  O     11.82632475     12.59578865    -11.56419756
  H     11.01650999     12.09790907    -11.65598762
  H     18.30094614     12.56854771    -13.75627649
  O     20.10262085      7.66530338    -10.78171149
  H     12.27108635     12.23575343    -10.78216295
  H     12.27192126      8.82042638    -16.44485378
  O     17.39492592     10.47705280    -11.34669066
  H     19.13744497      7.61282888    -10.87500678
  H     12.74164487      8.67465739    -14.98112461
  O     12.63527247      7.73849997    -13.49235450
  H     20.29475310      7.40577312     -9.88454339
  H     15.90561215     10.51814747    -12.37112882
  O     16.96148647      6.77390302    -13.87075763
  H     18.05055410     10.68102291    -12.02738929
  H     14.72454222     11.26436706    -13.08502075
  O     14.58244889      5.63617559    -13.03878804
  H     17.41127554      9.51874455    -11.21957829
  H     13.64062850     10.96680519    -15.93324883
  O     13.87628953     12.85410834    -13.39140637
  H     12.68985337      8.21893422    -12.65598690
  H     13.90876090     12.25599489    -15.12232188
  O     17.93386755      9.98800859    -15.82774563
  H     13.23574690      6.98887811    -13.39997010
  H     14.70758967      6.36521261    -11.23838995
  O     17.39619393      7.69033169    -11.25596488
  H     17.84741738      6.87781340    -14.24539834
  H     14.30908186      7.70040373    -10.59282102
  O     16.67892313     12.41559436    -16.52952124
  H     16.41352114      7.44213809    -14.31145815
  H     20.77489717      8.45580271    -12.19539973
  O     19.34030306      7.63155209    -14.96451707
  H     15.45798499      5.92363412    -13.34596196
  H     22.01076154      8.86743097    -13.02958644
  O     17.67887125     13.26959990    -13.98765736
  H     14.52105352      4.70385667    -13.23303937
  H     16.62104246     13.97117705    -12.82620677
  O     12.91024027      9.14697700    -15.81625507
  H     14.51653604     13.46480529    -13.00535276
  H     16.12427396     15.25039309    -12.11024178
  O     15.11545405     10.39801677    -12.91397701
  H     13.10831357     12.82452762    -12.80336350
  H     15.81954711     13.09752929    -10.75137787
  O     14.08542122     11.82042096    -15.96872349
  H     17.64859029     10.82615501    -16.21129539
  H     16.40261813     11.71510471    -10.40138969
  O     14.88648760      6.93313841    -10.47895164
  H     17.11168441      9.51895098    -15.62019702
  H     13.19836572     11.49756298     -8.51105632
  O     21.05776671      8.89918341    -13.01387969
  H     16.57391376      7.42739376    -10.81824404
  H     14.18224091     11.78603709     -9.66869369
  O     15.95585228     14.31670013    -12.20294172
  H     17.31735282      7.39261040    -12.17233293
  H     18.71692464     10.56163552    -14.28063471
  O     15.74328942     12.36673146    -10.12613949
  H     15.74854055     12.17956529    -16.36475145
  H     19.88607969     10.33170696    -13.29409036
  O     13.28961526     11.45473676     -9.45894501
  H     16.68763209     12.95068011    -17.31880982
  H     13.96940319      9.57159977    -11.81063857
  O     19.13140724     10.90467341    -13.47499767
  H     18.99307072      8.39754593    -15.43973846
  H     13.21872951      9.86432455    -10.50113891
  O     13.34566877      9.18762454    -11.17447014
  H     19.99291527      7.98219478    -14.34716751
  H     15.42682261      9.37310341    -14.28593891
  O     15.57256136      8.79866865    -15.05573758
  H     17.33751587     13.04832193    -14.86288680
  H     14.73442041      8.78833990    -15.52892263
          69
 Energy    -249.33597868360678     
  O     14.29895028      6.29123415    -14.25259393
  H     14.38987828      6.42759977    -15.20765266
  H     18.72828643     10.17853993    -12.12791964
  O     16.05378057      6.34573676     -9.94903319
  H     13.49724258      6.73473119    -13.94267315
  H     15.24908577      7.77270834    -13.86506244
  O     13.42039613      9.47808283    -17.20897327
  H     15.89316748      5.84637123    -10.76373357
  H     15.68361324      9.20832889    -14.30354881
  O     12.05781778      7.52273555     -9.47704942
  H     15.34842052      6.12191674     -9.33060837
  H     14.56285396     11.70376026    -13.11875930
  O     12.24062620      7.74302779    -13.08927817
  H     12.96282734      9.65552699    -16.36633659
  H     13.35012468     12.58917107    -12.76240154
  O     15.93325233      8.92806280    -10.90025442
  H     12.86418123      9.82017621    -17.90291857
  H     14.10993049      4.36043257    -11.44406749
  O     17.49462604      8.04606534    -16.86840353
  H     12.38244973      8.30204990     -9.94659724
  H     13.49874604      4.62681212    -10.05017716
  O     11.06401620      5.76507837    -11.52389732
  H     11.56849088      7.00007808    -10.12468277
  H     12.18565542      9.16260417    -14.27011686
  O     18.32537626      7.73662139    -14.27176758
  H     12.62452831      8.30934831    -12.40408507
  H     12.75531446     10.59734922    -14.19543080
  O     14.78261300      6.99316939    -16.84709775
  H     11.71537584      7.07286226    -12.63446666
  H     17.89653036      6.54763205    -10.08015209
  O     18.54632653      5.36202652    -12.75364778
  H     15.92029539      8.85559820    -11.86786029
  H     18.87724404      7.69393134    -10.38887922
  O     18.60510730     10.38450583    -13.06265698
  H     15.94821048      8.02965553    -10.53830242
  H     16.65485257      4.96939127    -12.56802996
  O     15.78192212      8.53911579    -13.61643708
  H     17.88911818      7.87892935    -15.99587235
  H     15.23258246      5.37020017    -13.05399256
  O     13.61915325     11.68142152    -12.87919247
  H     18.20293028      7.99165831    -17.50481723
  H     13.17069611      6.39528023     -8.75149173
  O     13.28869689      4.31504474    -10.93958327
  H     11.83440810      5.18691839    -11.37790577
  H     13.57677383      5.49038858     -7.56202002
  O     12.35486879      9.95651958    -14.79486052
  H     10.30070040      5.19791993    -11.58807608
  H     17.04024942     11.35595498    -13.41478047
  O     18.77819795      6.73574942    -10.43298339
  H     17.44598202      8.01294093    -13.96758564
  H     16.11486426     11.40271464    -14.63693992
  O     15.72167425      4.95555575    -12.32636710
  H     18.50741671      6.90042414    -13.82777286
  H     13.25238830     10.31294611    -11.64998764
  O     13.78917937      5.69801546     -8.46755157
  H     14.26498787      7.77915607    -17.06464877
  H     14.16899784      9.31845699    -10.92350052
  O     16.20071825     11.71972289    -13.72684765
  H     15.70773771      7.25135580    -16.93652774
  H     17.57701937      9.46766941    -10.46982327
  O     13.24096595      9.49876250    -11.13144359
  H     19.19202420      4.66141925    -12.79821696
  H     18.61478726     10.18145168     -9.57273211
  O     18.53009617      9.59744715    -10.32235447
  H     18.70931146      5.83926046    -11.91945832
  H     16.48926743      9.57171781    -16.38110180
  O     15.85397526     10.19344564    -16.00521764
  H     18.72725486      9.54849414    -13.52594636
  H     15.02446633     10.05264851    -16.47875251
          69
 Energy    -249.33571529287167     
  O     -6.81592183     -3.60275353      5.34217005
  H     -6.24599569     -2.98297472      5.81513344
  H     -3.22052185      2.31367385      3.04420767
  O     -6.28365603     -4.62990018      2.89562143
  H     -7.65658901     -3.15108124      5.20865504
  H     -6.48027152     -1.06617171      2.99555749
  O     -5.19770501      1.34459816      0.74709078
  H     -6.42158558     -4.34744266      3.81825993
  H     -7.40798905      0.17386846      2.76805022
  O     -6.96801535      0.41805432      5.95991630
  H     -6.00885413     -5.54218236      2.92266803
  H     -4.55805188     -1.81582461      7.31637477
  O     -6.37469684      5.62729214      2.22803025
  H     -5.20818172      0.50964377      0.26696654
  H     -4.61529932     -1.40466088      5.82483500
  O    -10.12843383      0.60771379      0.69541495
  H     -6.11295651      1.49268161      1.03409716
  H     -1.66010589      4.42518608      2.89626798
  O     -9.13454810     -2.02452210      4.57097665
  H     -6.40364698     -0.22995938      6.39705576
  H     -3.12849077      4.50130880      3.38230027
  O     -3.78559976     -0.98169730      4.37471051
  H     -6.98476617      0.14380294      5.02808694
  H     -8.62413246      1.34358913      5.54123885
  O     -4.60751020      4.11449199      0.80777814
  H     -5.79031432      5.09940109      1.65467857
  H     -8.98268576      2.50481665      4.59976261
  O     -8.76658341     -3.45936320      2.05683397
  H     -6.57035887      6.43136488      1.75471135
  H    -10.46075385     -0.77593610      3.58544541
  O     -5.64572744     -1.23209204     -0.35768947
  H    -10.89504452      0.89095063      0.20520855
  H    -10.32632567      0.72225899      3.89704961
  O     -3.80191684      1.55282798      3.16564253
  H    -10.42750807      0.41658743      1.60303798
  H     -5.23996206     -1.91097368      1.31647652
  O     -7.17796856     -0.52835915      3.38911900
  H     -8.46880365     -1.47142240      4.12151676
  H     -5.49288571     -3.04705496      2.36120530
  O     -5.15984988     -1.65455095      6.59480837
  H     -9.36872720     -1.56561372      5.37699255
  H     -8.94624212     -0.84180823      0.21090168
  O     -2.52177890      4.03551032      2.77878454
  H     -3.66632545     -0.08235705      4.04382755
  H     -8.49107430     -2.22272870      0.74136008
  O     -9.35347550      1.72986372      5.04142183
  H     -4.14009396     -1.47925216      3.62514228
  H     -5.12818315      5.46457634      3.71545269
  O    -10.72762627      0.09326436      3.27663037
  H     -4.78945170      3.18373898      0.62466214
  H     -4.84713571      4.37316371      4.76542829
  O     -5.17402159     -2.14187466      2.25144198
  H     -3.80006584      4.12441435      1.33677209
  H     -4.99067519      2.23048161      4.37105588
  O     -8.27805103     -1.52639593      0.10323079
  H     -7.96802539     -3.96478371      2.25423332
  H     -6.00332622      1.94418975      5.51076805
  O     -4.45826394      5.14610518      4.33309998
  H     -9.07631444     -3.12866803      2.90643113
  H     -8.57957549      1.40010575      1.27702412
  O     -5.59874937      2.65242645      4.99548664
  H     -5.44092049     -1.58513026     -1.21897102
  H     -7.85880577      2.34783377      2.30676424
  O     -7.73405598      1.61428872      1.68938478
  H     -6.61070364     -1.31808524     -0.24013281
  H     -7.46830166      4.39875242      3.11683291
  O     -7.78708520      3.61790379      3.58605916
  H     -4.25597921      1.41120974      2.32288935
  H     -7.03360452      3.29881945      4.10652994
          69
 Energy    -249.33527041162296     
  O     -3.52149271      2.81492566      1.04948948
  H     -3.66857946      3.67086526      1.47656570
  H      1.47800958      2.87200970      4.88481707
  O     -4.87147679     -1.19354310      0.96986824
  H     -3.63987812      2.10424325      1.69481657
  H     -2.06091566      5.28616141     -1.60593188
  O      0.48391377      3.37887110     -1.96232385
  H     -4.64795284     -0.89221819      0.07099417
  H     -2.37158439      5.23419624     -3.11605071
  O     -2.94846398      2.14399650     -1.50524625
  H     -5.74230290     -1.57852089      0.92159350
  H     -1.30901377     -2.68378013     -2.04049955
  O     -0.41128195      0.22541705      5.37938144
  H     -0.33671883      3.77939425     -2.27414456
  H     -1.72623371     -2.11225501     -0.66471434
  O      2.39035437      4.49210999      2.19504360
  H      0.29889654      2.43642104     -1.86550827
  H     -1.96151348      3.53824920      4.51838148
  O     -0.81477306      3.09643740      1.63251125
  H     -2.75270980      2.98508206     -1.93145907
  H     -1.18004076      3.82012582      3.21858686
  O     -2.67380220      1.97408767      5.05531933
  H     -3.23647529      2.36247632     -0.60424966
  H     -0.84832875      5.96436886      0.05305467
  O     -4.03058565     -0.44565980     -1.50701978
  H     -0.19620539     -0.25452311      6.17471558
  H     -1.63897022      7.28664307     -0.08534050
  O     -3.59530917      0.61220178      2.71024122
  H      0.33125191      0.83188622      5.20747543
  H     -2.81758572      5.72805251      1.45053796
  O     -1.07123109     -0.62440551      2.79160558
  H      2.67032484      3.56867176      2.19546746
  H     -2.75984114      5.14289711      2.88516991
  O      1.61536856      1.91958976      4.81495367
  H      2.01256710      4.65506081      3.06825837
  H     -1.35608735      1.22533757     -1.42106730
  O     -2.08700514      4.70011703     -2.37763603
  H     -0.36610142      3.77485313      1.11115922
  H     -0.74595558     -0.18245670     -1.58266778
  O     -1.52715760     -1.87353314     -1.58818654
  H     -1.72906473      3.01871975      1.32837352
  H      0.14913559      4.63503014      4.57117982
  O     -1.48339177      4.23334234      4.04201433
  H     -1.94584005      1.37704471      5.26883299
  H      1.19210011      5.38087002      5.43603472
  O     -1.73615501      6.33716132     -0.09676884
  H     -3.17049099      1.53553094      4.35313954
  H      0.31602019      0.71288512      0.19803701
  O     -3.35246006      5.32340718      2.14344589
  H     -3.23863194     -0.96714826     -1.68543468
  H      0.11360802      1.65645690      1.39716023
  O     -0.51633091      0.74268903     -1.42954966
  H     -3.76876465      0.47769749     -1.62177399
  H     -1.79036648     -1.90635738      1.66610100
  O      1.10102854      4.72369279      4.75103645
  H     -2.71283795      0.21410963      2.72131635
  H     -3.18252413     -2.13316210      1.04725000
  O      0.58759858      0.85689809      1.11355644
  H     -4.15387076      0.00757206      2.20547785
  H      2.14915668      1.30762535      1.81494378
  O     -2.25639576     -2.39383839      0.97329203
  H     -0.81822525     -0.43857402      3.70454501
  H      3.68117025      1.19006354      1.99158194
  O      2.91410377      1.66944309      2.29384631
  H     -0.43248475     -0.17610819      2.22056405
  H      0.74821062      4.45848929     -0.55130793
  O      0.60098788      5.03136753      0.21674925
  H      2.13963071      1.78324848      4.01659106
  H      1.32556089      4.92008520      0.84973597
          69
 Energy    -249.33380704195179     
  O     13.83361243      4.86595929     -9.69966994
  H     13.95617636      5.70077561     -9.23198073
  H     12.83348286      8.01849719    -14.89305816
  O     17.58590911      9.29501455    -13.94607635
  H     14.70165300      4.62177511    -10.04439167
  H     16.47120889     10.27830978    -11.11364719
  O     15.96873139     12.05965328    -11.11822945
  H     17.10512502      8.56449475    -14.35873302
  H     17.06849594      9.35763630    -12.21717875
  O     11.34116783      6.96402279    -14.66744117
  H     18.48421388      8.98182842    -13.77586467
  H     15.19641572      8.50388785    -11.90751393
  O     18.80618124      4.24537852    -12.24382462
  H     16.11545997     12.07722741    -12.08232097
  H     13.72062623      8.20450206    -11.56234997
  O     12.50406945      4.70752395    -13.75441279
  H     16.35096458     12.85756083    -10.76412915
  H     12.35903044      4.67960761    -10.58625923
  O     16.88908616      7.19074487     -9.67198968
  H     11.74470271      6.11373224    -14.41233048
  H     10.98305322      3.97908333    -10.64850970
  O     13.25810406     11.17989898    -11.45369802
  H     10.61095093      6.75745882    -15.24447667
  H     20.91060042      8.33803810    -13.23346091
  O     18.67216914      5.84588824    -14.45169528
  H     18.71360715      4.74166263    -13.07625888
  H     19.81817568      7.66878323    -12.36505730
  O     16.25784299     11.80114849    -13.79571468
  H     19.33285540      3.47537128    -12.44087895
  H     14.78240527      6.36055009    -12.70631591
  O     13.53176329     11.21240235    -14.35548299
  H     13.44682832      4.86849722    -13.61107779
  H     15.57297056      5.08694179    -12.35874354
  O     13.65649126      8.51551741    -14.79813358
  H     12.13366287      4.54549438    -12.87716717
  H     15.86694931      6.46407035    -14.39828797
  O     16.68728093      9.36255487    -11.32795748
  H     16.88762191      7.97691079    -10.23957032
  H     15.36090088      7.60512948    -15.28472965
  O     14.41628484      8.01830458    -12.20313803
  H     16.07959334      7.25638716     -9.15125516
  H     19.30259648      5.82135838    -11.26983811
  O     11.53095307      4.61873009    -11.09524097
  H     13.23734760     11.20074852    -12.41749339
  H     18.67657566      6.89538933    -10.35730642
  O     19.99250846      8.08124265    -13.23005387
  H     14.11671437     11.54749021    -11.21152109
  H     11.08069466      6.40452538    -11.51775095
  O     15.09302786      5.51809733    -13.07494194
  H     19.20462808      6.60177423    -14.17313073
  H     11.01959559      7.32767961    -12.74701253
  O     16.16246355      7.12724924    -15.04236236
  H     17.87015080      6.21570013    -14.83883788
  H     17.25086244      4.36591713    -11.22712497
  O     19.42300865      6.72230291    -10.94306161
  H     16.76258823     11.00083213    -13.99209634
  H     16.62859566      5.52798998    -10.41091290
  O     10.96343928      7.32581079    -11.78549634
  H     15.35318457     11.63896630    -14.09354623
  H     13.68637544      7.95505647     -9.06886563
  O     16.43930888      4.65815511    -10.79405450
  H     13.54203739     10.27414225    -14.60748599
  H     14.05493284      7.63245274     -7.60495687
  O     14.28339731      7.42934610     -8.50891373
  H     12.93905321     11.65311439    -14.95942154
  H     11.91430764      8.36249657    -10.69446332
  O     12.63015480      8.80161168    -10.20912265
  H     13.94390478      8.37375540    -13.88142881
  H     12.75337951      9.69110499    -10.57410186
          69
 Energy    -249.33354964014228     
  O     12.45189549     10.56285989    -16.13718985
  H     12.98750717     11.32672698    -15.88998640
  H     17.37854705     11.50432039    -15.13712599
  O     15.60076096      6.84304644    -12.14401615
  H     11.89444842     10.34563859    -15.37928126
  H     16.48186849      8.68500406    -14.41307829
  O     16.73959973     11.30162482    -11.32879209
  H     14.74738756      7.00312586    -11.71963889
  H     15.48411969      8.17423311    -13.36456280
  O     13.54463718      6.00193156    -15.73253852
  H     16.27109652      7.35291918    -11.66648243
  H     11.20346358      8.68571640    -13.90014358
  O     13.20658818     10.55048866     -9.01129564
  H     16.46797968     11.47576058    -10.41920868
  H      9.91637109      9.53397913    -14.02918913
  O     13.12498034      7.54053210    -11.12016491
  H     15.94058894     11.34704976    -11.87584425
  H     16.80730219      8.49132366     -9.28671439
  O     14.61241863     11.20468961    -13.04198314
  H     13.15734826      5.50059728    -16.44636012
  H     16.21112568      9.63641697     -8.44983021
  O     13.71350687      7.78736974     -8.39349179
  H     13.75920377      6.87997102    -16.09010249
  H     12.47117512      6.64479650    -14.27351852
  O     17.84554227      7.75662370    -15.31519989
  H     13.23807013      9.63339697     -8.71202103
  H     12.31412218      7.04720696    -12.77875762
  O     16.19033258      5.65827650    -14.63118991
  H     12.82147094     10.52865004     -9.89749308
  H     19.08083951     12.19071128    -13.39247278
  O     19.24529886      8.75401095    -13.12529505
  H     12.90684643      8.46311672    -11.31588709
  H     17.88535968     11.48945533    -12.71654183
  O     16.78421562     11.59434013    -15.89225616
  H     13.24568775      7.49115166    -10.16353520
  H     18.20082481      8.48133290    -11.66550184
  O     15.62380394      8.87685017    -14.01353212
  H     14.45424175     11.81006824    -13.77546428
  H     17.16890976      9.47684067    -11.11521796
  O     10.86484922      9.59868300    -13.95097414
  H     14.97579040     10.38864452    -13.42380807
  H     14.79719594     11.23542294     -8.82375308
  O     16.27506201      8.67512903     -8.50089485
  H     13.57272145      7.25867698     -7.61297847
  H     15.75707253     12.15435983     -8.03081093
  O     11.90899168      7.12077109    -13.65219722
  H     14.65849620      8.02475666     -8.40597205
  H     15.80871406      8.95249848    -17.24857330
  O     18.42694521     11.50669813    -13.52256544
  H     17.61593642      8.11548358    -16.17899117
  H     16.75998246      9.15086348    -18.45204933
  O     17.47825605      8.56572131    -11.02648322
  H     17.33576497      6.94168177    -15.17742621
  H     11.77843714     10.09040302    -12.38454213
  O     15.72945474     11.50159390     -8.72510598
  H     15.31226029      5.62929964    -15.02761957
  H     13.20606049     10.61485888    -12.12794001
  O     16.71788232      9.18777904    -17.49984096
  H     16.04205865      5.88628701    -13.70223726
  H     15.20961887     12.28660897    -15.65291609
  O     12.44204406     10.20664632    -11.69428252
  H     19.11200748      9.69223601    -13.30361293
  H     14.29980057     13.53869534    -15.68569705
  O     14.32440856     12.62313401    -15.42131941
  H     18.91157194      8.29937389    -13.91145279
  H     14.69313331      8.65549700    -15.52880716
  O     14.27234000      8.56780311    -16.39835110
  H     16.88878909     10.80870702    -16.44057495
  H     13.57528086      9.23953338    -16.43314523
          69
 Energy    -249.33338465896279     
  O     -0.39428213      1.43915699     -6.94903555
  H      0.26661575      1.22016885     -6.28141473
  H     -5.48506079      2.05522070     -4.81366394
  O     -1.31835160     -0.54326885     -8.58125561
  H     -0.94196643      2.13390594     -6.56410664
  H     -8.24949908     -0.76458664     -5.30600260
  O     -2.33442453      2.06062483     -3.23575496
  H     -0.96102175      0.16406923     -8.01406671
  H     -6.91811270     -0.86010056     -6.08861795
  O     -3.84411010      0.36324527     -7.63463716
  H     -0.92923774     -0.42079794     -9.44349688
  H     -3.75415294      3.09327694     -6.10839340
  O     -4.57045113      1.23382653     -1.74904568
  H     -1.51607303      1.70648132     -2.85430227
  H     -4.48610575      2.02678681     -6.92736600
  O     -5.97448815     -1.43333860     -7.43416530
  H     -3.05389589      1.88747539     -2.61747625
  H     -2.05765966      3.03730546     -4.68638913
  O      1.29299012      0.42245657     -4.88341386
  H     -3.08669369      0.08323281     -8.15918304
  H     -1.62715829      4.32926610     -5.41612198
  O     -4.01433497     -5.54107138     -4.50151048
  H     -3.55641234      0.27348405     -6.71182030
  H     -1.90527596     -1.66704040     -1.89899165
  O     -5.00504449     -1.79398392     -4.19123810
  H     -5.02718030      1.70483402     -1.05696474
  H     -0.75266052     -2.70853490     -2.02452689
  O     -1.25325497     -5.04261752     -5.03955166
  H     -5.09661849      1.35461797     -2.56222424
  H     -4.25103979     -4.23091909     -5.79547583
  O     -3.46693706     -4.38602949     -2.08900286
  H     -5.48195057     -2.22930298     -7.19636519
  H     -3.35376610     -3.22928839     -6.57931469
  O     -5.89359479      1.58592366     -4.07181311
  H     -5.30240407     -0.76653802     -7.63477940
  H     -0.23999801     -0.00553660     -2.10224747
  O     -7.31360720     -0.59919302     -5.23675439
  H      0.64466022     -0.30398025     -4.89613064
  H      0.54964520      0.84717602     -3.12051132
  O     -4.63120702      2.73318367     -6.28477357
  H      2.15190484      0.02633332     -5.00952222
  H     -1.49385100     -2.21192658     -7.60997255
  O     -1.93083784      3.43670439     -5.56404582
  H     -4.50266496     -6.34907070     -4.36818297
  H     -1.20286219     -2.43754788     -6.12255715
  O     -0.94911580     -1.76314464     -2.02208921
  H     -3.91878195     -5.12319323     -3.62733647
  H     -3.97659540     -0.61559374     -1.58668678
  O     -4.26564151     -3.41849758     -6.31754557
  H     -5.86537873     -1.42095532     -4.41944491
  H     -4.19810096     -1.70538697     -2.63660400
  O     -0.02520281      0.90473732     -2.34794369
  H     -4.75008165     -2.38452074     -4.91350077
  H     -0.01277194     -5.17696718     -2.12235984
  O     -1.57002283     -2.87044972     -6.90963884
  H     -1.25022076     -4.44041447     -5.79256695
  H     -0.76080291     -4.68631019     -3.38383536
  O     -3.72808309     -1.52034989     -1.80740469
  H     -2.16772992     -5.33868425     -4.94242310
  H     -1.50866902     -0.87737419     -4.94219287
  O     -0.62810649     -4.51853523     -2.43397086
  H     -3.64829971     -3.47925173     -1.81656614
  H     -0.75383978     -1.62581105     -3.82166490
  O     -0.72069111     -1.41610981     -4.76342190
  H     -2.50632799     -4.48347737     -2.06368544
  H     -3.76335769     -0.51760702     -4.67210709
  O     -3.02178943     -0.00494687     -5.01874953
  H     -6.47977644      0.92842361     -4.46234934
  H     -2.86799885      0.73898557     -4.42356724
          69
 Energy    -249.33316608730246     
  O     -0.03646273      3.20770703      2.68074085
  H      0.70626436      2.59221234      2.71847824
  H      2.49083078      2.18789311     -0.36418295
  O     -3.16670388      4.84295959      0.45182702
  H     -0.77468738      2.76705068      2.23750688
  H     -0.78656292      4.35468083     -2.46711159
  O      1.39149247      7.54454474      1.12731120
  H     -3.01783264      5.42613278      1.20616937
  H     -0.31374379      2.87558676     -2.31477686
  O     -1.31147626      5.64030318     -1.41843321
  H     -2.59914599      5.17145155     -0.26110371
  H     -1.03422601      8.49709303     -0.85819622
  O      2.79244248      4.01162198     -0.60288810
  H      2.02458233      7.27427032      1.80238385
  H     -1.24239452      9.10265616     -2.26834822
  O      0.45611694      4.97732518      0.54195947
  H      1.79923879      7.52779989      0.24805100
  H     -2.81452021      0.95920249     -2.80091307
  O     -2.45484721      6.58385323      2.57317772
  H     -0.65951911      5.42968129     -0.72843084
  H     -3.15920638      0.23075135     -1.49097904
  O     -0.45175673      1.55038310     -1.08093451
  H     -1.21460060      6.57408275     -1.64051497
  H      3.51193048      4.10456957      1.14908264
  O     -0.13815400      5.75198702      3.74908213
  H      2.76455775      4.30677125     -1.51850047
  H      3.21652763      3.23499564      2.38406430
  O     -2.09898908      2.33276938      1.07226838
  H      1.96442894      4.32836139     -0.20863077
  H     -4.14981601      3.11432087     -2.04992735
  O     -1.17282313      8.50092749      0.85998234
  H      0.71630427      5.85110727      0.86541720
  H     -4.28961001      3.81786542     -0.67392432
  O      2.14465199      1.32869867     -0.08729151
  H      0.29433204      4.40880252      1.30447137
  H     -3.25162149      2.89686074     -4.49536341
  O     -0.41494997      3.59908367     -2.95194608
  H     -3.03679633      6.88003645      3.26914055
  H     -2.10481195      3.05400216     -3.47701766
  O     -0.86379788      8.35875162     -1.80893593
  H     -1.62490347      6.31653134      3.00622961
  H      2.55765426      0.79876450      3.02060460
  O     -2.55869365      0.21097484     -2.24737851
  H     -1.05417805      0.93737497     -1.52607532
  H      2.22628710      1.39603526      1.63008587
  O      3.56862511      4.09128974      2.11359080
  H     -0.93197463      1.87973404     -0.31007026
  H      2.40380029      4.90071681     -4.03081558
  O     -4.66785265      3.12830129     -1.23565532
  H     -0.12153544      4.80486832      3.54595635
  H      1.19589431      4.46143833     -3.17808620
  O     -3.01902225      2.74902730     -3.58138305
  H      0.77634482      6.04788593      3.68994906
  H      3.33254124      6.65671672      3.93605604
  O      2.24618478      1.58757013      2.58618130
  H     -2.47292699      3.20696210      0.88828584
  H      3.03736438      5.54449396      2.90444613
  O      2.02021256      4.97284415     -3.15981605
  H     -2.78941934      1.69047831      0.86815500
  H     -5.01001222      0.36501342      0.36807767
  O      2.69157813      6.36809862      3.29204103
  H     -0.25114787      8.28119698      1.06742769
  H     -4.48894718      1.59529775     -0.41563638
  O     -4.21667384      0.77360983      0.03311397
  H     -1.70875498      7.92396748      1.41458066
  H      1.00276516      7.82369570     -1.78853208
  O      1.86791496      7.44362066     -1.58833094
  H      1.26062454      1.26967732     -0.47391598
  H      1.94524427      6.65562459     -2.13712287
          69
 Energy    -249.33306471702974     
  O     17.15524012      9.70840830    -11.33690856
  H     16.87165665      9.49551797    -10.43168505
  H     13.74425222     10.77101612     -9.18185733
  O     15.24978603      6.56769949     -9.25635629
  H     16.42227409      9.44524203    -11.90830501
  H     15.06279688      9.02118947     -6.12157391
  O     18.06021088     12.12960059    -10.43390501
  H     15.51287400      7.49527968     -9.16734665
  H     13.83854878      9.37107185     -5.25136488
  O     12.92747995      7.25944510     -7.86517981
  H     16.06849273      6.07458163     -9.39157429
  H     17.85209481      4.65671096    -12.62047106
  O     14.94456023      8.75330292    -12.71007174
  H     18.26376240     12.74511357    -11.13364609
  H     17.77833437      3.12906492    -12.38272249
  O     19.01745272      7.64937857    -11.14913445
  H     17.73979525     11.31713837    -10.86026207
  H     17.83017542      6.55046689    -13.89405921
  O     20.59527859      8.36232884     -8.94046047
  H     13.71793045      6.84505307     -8.23929509
  H     18.80707302      6.66204326    -12.69654176
  O     17.74771211      5.53188353     -9.78525384
  H     13.25097613      7.89518839     -7.21687510
  H     18.31096920     11.95440156     -5.50480308
  O     11.55225671      7.81555394    -10.13544544
  H     14.50127551      8.00875211    -12.27812776
  H     17.48097581     11.83180131     -6.80699657
  O     16.52389840     12.56895251     -8.03978311
  H     15.35159071      8.37597985    -13.50035606
  H     15.74622422      6.38577352    -14.32151871
  O     13.20481472     10.06426590    -10.72181739
  H     19.65192800      7.89699367    -10.46512571
  H     16.04919233      7.11501834    -15.65208682
  O     14.21050009     11.05448062     -8.37896717
  H     18.42320706      8.40184937    -11.27571378
  H     15.49458298      9.82873051     -8.80002285
  O     14.11147405      9.21675772     -6.15281319
  H     21.53682261      8.31984990     -8.79677528
  H     16.56821993      9.01310918     -8.03698415
  O     17.39422544      3.95989284    -12.11470612
  H     20.32494225      9.28392759     -8.77696821
  H     19.24870305     11.02580177     -7.65529047
  O     18.51188130      6.07387246    -13.40571628
  H     17.62353396      4.84785012    -10.45451139
  H     19.23916942     11.34670626     -9.16420724
  O     18.07399290     11.34853756     -6.20180583
  H     18.16790511      6.27279990    -10.24635054
  H     12.82794375      6.87906332    -11.17459347
  O     16.17587721      7.17129900    -14.70848859
  H     11.96264175      7.61927122     -9.27347232
  H     14.25152229      6.48215761    -10.72280285
  O     16.17341208      9.14938389     -8.90602157
  H     10.61332761      7.69072487    -10.03078284
  H     18.25294386      6.36111190     -8.06613067
  O     19.71978143     10.86351139     -8.48133483
  H     16.96924000     12.52035904     -8.89418892
  H     19.30601493      7.45592096     -7.86008875
  O     13.67669505      6.55840117    -11.49994401
  H     15.64822310     12.17634641     -8.16267197
  H     17.35836887      9.63941949     -6.11150794
  O     18.55308383      7.02602221     -7.43560797
  H     12.57066244      9.34822473    -10.58693511
  H     17.48594069      8.12152217     -6.50371168
  O     16.86644636      8.81524924     -6.22724331
  H     13.75046794      9.80495634    -11.47179771
  H     14.47438681      5.46766688    -12.75391182
  O     15.06183402      5.06464089    -13.40879815
  H     13.94721036     10.49217072     -7.64090948
  H     15.73850638      4.58614177    -12.91542300
          69
 Energy    -249.33267303994270     
  O     13.94411088      9.26096264     -9.90304812
  H     14.36958789     10.01583926    -10.34715430
  H     13.63856015      6.92072244    -17.02632514
  O     16.21043383      4.85174668    -13.16460243
  H     13.53839876      9.60496005     -9.11160188
  H     19.19462682      6.89726881    -16.86724909
  O     14.90482122     11.34866049    -11.38233826
  H     17.07585408      4.75878221    -12.74817592
  H     18.80787937      6.94228628    -15.36890545
  O     17.21673222     11.54039353    -13.10724524
  H     16.31762471      4.74393487    -14.12219436
  H     14.73022765     10.95829692    -14.69738161
  O     10.96614291      8.12999508    -15.77154381
  H     15.76443287     11.44571432    -11.80648118
  H     15.75263108     10.07464021    -15.49904388
  O     17.79372205      6.81823754    -10.28261733
  H     14.26132740     11.41362034    -12.10126697
  H     15.96912539      6.68625006    -13.18115678
  O     12.48735507      6.41250158    -14.06232043
  H     17.71532447     12.34124069    -13.25103195
  H     15.95394417      7.88830741    -14.17444863
  O     13.24926753     10.96685533    -13.64249244
  H     16.69166667     11.39482079    -13.91124162
  H     14.47463373      6.11022724    -10.65803331
  O     13.38919880     10.58567095    -17.24012387
  H     11.42958208      8.01621035    -16.61108625
  H     14.64765181      7.47633888     -9.94842797
  O     16.43537830      4.86774689    -15.87985229
  H     11.32112282      7.45756121    -15.17745170
  H     18.42711955      5.56395277    -11.25542192
  O     16.12662019      8.37300014    -15.90430282
  H     17.92508803      7.66745820    -10.72175209
  H     19.29371858      4.29867776    -11.48177350
  O     14.15314327      6.48009689    -16.33798505
  H     16.84094890      6.72442276    -10.13396876
  H     14.61261004      4.72081714    -12.43936723
  O     18.44908400      6.88797814    -16.27370818
  H     12.75320228      5.69592778    -13.47453880
  H     13.52643146      3.95248034    -11.65705240
  O     15.52826201     10.98382423    -15.24747044
  H     12.66187255      7.21245476    -13.54193728
  H     17.15079357      8.50761194    -12.45451994
  O     15.80495280      7.63509088    -13.25392550
  H     13.22278055     10.06936729    -13.27569263
  H     17.84072806      9.88400046    -12.40640070
  O     15.03050870      6.59513309    -10.03994971
  H     12.46517500     11.05525540    -14.19632995
  H     18.98335304      7.79040822    -13.19966922
  O     18.71843133      4.91553427    -11.92463988
  H     14.17054907     10.84631401    -16.74160098
  H     19.22872860      6.26999119    -13.16707924
  O     13.72201932      4.79778187    -12.05476043
  H     12.62902058     10.81640473    -16.69008303
  H     12.99548768      8.98320425    -17.84255873
  O     17.94937525      8.96371433    -12.14445170
  H     15.62388532      5.31150813    -16.16197860
  H     12.49291617      8.09454693    -19.00612497
  O     19.31174216      7.05076612    -13.72762549
  H     17.16158600      5.46083039    -16.10817004
  H     10.28565903     11.23232078    -15.58366841
  O     12.67819977      8.09119532    -18.07102554
  H     15.42201048      7.74907289    -16.13098533
  H     11.00824028      9.86514866    -15.51886039
  O     11.14276282     10.82902007    -15.47727501
  H     16.96780481      7.95305440    -16.12778455
  H     13.34438785      8.69583968    -11.55992848
  O     13.33334774      8.48330951    -12.50054120
  H     13.58822162      6.41278836    -15.55569412
  H     14.23099832      8.18455677    -12.72333314
          69
 Energy    -249.33257582874677     
  O      9.87313264      9.16893597    -11.58697876
  H      9.17892777      9.75863574    -11.30637170
  H     15.63557092     11.75032134    -13.35180005
  O     14.20336186      7.93268691    -15.73398687
  H      9.86593388      9.16670890    -12.56217690
  H     16.52606003      7.36355034    -13.71769078
  O     18.00727672      9.90809271    -14.52957542
  H     14.85206305      8.03822018    -15.01733294
  H     15.80040162      8.43909034    -12.81812190
  O     12.74040853      9.92026853    -14.49634547
  H     14.68870905      8.04611790    -16.55877977
  H     11.08826819      6.24358353    -11.64081725
  O     14.94175182      5.02401531    -10.67230044
  H     17.27128776      9.32637264    -14.27837013
  H      9.92150355      7.24124139    -11.59027702
  O     13.06795645      5.75580595    -14.46592429
  H     18.75120831      9.68521759    -13.95144540
  H     19.68729677      5.89993313    -11.26887800
  O     15.43768570      9.30988311    -11.22400300
  H     13.24867997     10.73195351    -14.61661585
  H     18.37938901      6.73214177    -11.25139961
  O     16.29349555     10.94243252    -16.49685765
  H     13.18897031      9.23275027    -15.00893375
  H      9.56238486      5.57264995    -14.89289831
  O     15.44711174      4.47079436    -13.45961608
  H     14.60428509      4.42117944    -10.01464559
  H     10.13070525      6.11640758    -13.56075298
  O     15.99591390      8.40947102    -17.83426153
  H     14.18588011      5.55452010    -10.98088683
  H     19.71997084      8.16750716    -12.42508453
  O     18.10576517      7.60256536    -16.33039923
  H     12.11279354      5.77777755    -14.60471810
  H     20.47309848      9.46976963    -12.11501143
  O     16.31129280     11.45945912    -12.72699672
  H     13.44454246      6.46645071    -15.00517622
  H     18.23033432      6.00662946    -13.33489466
  O     15.99617036      8.17219196    -13.72386404
  H     14.47341628      9.35711602    -11.25220325
  H     16.93955756      5.31928594    -13.90950250
  O     10.13882012      6.32516002    -11.80445755
  H     15.77049135     10.13163497    -11.61605041
  H     16.24971937      6.34903606    -10.46825628
  O     19.17706463      6.52681783    -11.77437187
  H     17.01571498     10.69879729    -15.90141774
  H     16.42023390      7.88609931    -10.57833359
  O     10.26008652      6.10975081    -14.52595469
  H     16.14111023     10.17165381    -17.05546151
  H     14.30442971     12.99209953    -15.13273163
  O     19.92670288      9.04711184    -12.77388270
  H     14.62712958      4.76258193    -13.87729351
  H     15.09045601     11.71339866    -15.50828680
  O     17.64161282      5.96184554    -14.09713800
  H     15.30665901      4.53780421    -12.50742907
  H     12.91147187      7.44826860    -11.74860360
  O     16.90475070      7.05791809    -10.46087159
  H     16.10493816      8.18605509    -18.75440662
  H     13.03824675      6.24209636    -12.72383029
  O     14.46756342     12.09232431    -14.86168922
  H     16.77036560      8.05055559    -17.36400956
  H     11.76591629      9.31610884    -11.54348050
  O     12.95922411      6.48407362    -11.78937976
  H     18.34234059      8.39831037    -15.84167807
  H     12.75261987      9.50975809    -12.71994197
  O     12.69702628      9.25166731    -11.78773362
  H     17.99570191      6.91375379    -15.65979745
  H     10.15702414      8.06241525    -14.52650743
  O     10.10117658      8.99467335    -14.28586501
  H     17.03263987     11.12440924    -13.27134201
  H     10.96620958      9.38215685    -14.48000040
          69
 Energy    -249.33249459894807     
  O     15.99791396      9.78647197    -16.63378768
  H     16.54519155     10.57792760    -16.61447784
  H     17.75202660      5.53565247    -11.85642371
  O     16.01528104      5.04871304    -12.60541516
  H     16.25844556      9.24291945    -17.39381965
  H     19.92901243      9.72236387    -15.53704532
  O     15.57066210     13.26855517    -11.66623127
  H     15.71556711      5.97316037    -12.54893743
  H     19.61590864      9.26633917    -16.97180478
  O     19.79168774      8.88547440    -13.89422838
  H     15.36125308      4.51774266    -12.15828804
  H     16.83753139      8.68715455    -15.37370111
  O     14.74810210      6.27660727    -16.79651371
  H     15.29919298     14.10950942    -12.02456261
  H     17.23098457      7.21271136    -15.01552523
  O     16.08203779     10.17989086     -8.76522589
  H     15.86998063     12.72628245    -12.41569826
  H     14.45562963      9.08603479    -16.03510302
  O     15.57228530      7.73651126    -12.58384656
  H     18.90580565      8.61861740    -14.19219580
  H     13.65297868      8.94664615    -14.74188464
  O     16.49269274     11.50968376    -13.57886383
  H     20.24549600      8.07044233    -13.65123907
  H     16.58455075      8.10312377    -11.14477434
  O     20.64160422      6.28631841    -13.23679082
  H     14.35303551      7.03402580    -16.32878033
  H     16.84410159      8.81518789     -9.78698314
  O     19.58848331      5.72342394    -15.83832756
  H     14.04098943      5.86409830    -17.28608883
  H     18.04763336     11.62054511    -10.64295279
  O     16.88278713      5.39481649    -15.26751581
  H     16.63655416     10.90657750     -9.10244933
  H     16.93785238     12.67445227    -10.46601076
  O     18.53915967      6.00085023    -11.55204978
  H     16.04305258     10.28099592     -7.81778912
  H     18.09498060      9.60679248    -11.43242729
  O     19.71122920     10.05185601    -16.42010853
  H     16.20551889      7.88749132    -13.30240826
  H     19.06874370      9.93709960    -12.58840661
  O     17.27149771      8.12993184    -14.71495932
  H     14.91248167      8.43504610    -12.67454680
  H     14.60524626     10.70382277     -9.93591633
  O     13.78915654      8.53149615    -15.60010530
  H     17.16222977     11.06974858    -13.03400216
  H     14.44097915     11.91582658    -10.86490073
  O     17.26158933      8.28121077    -10.47403089
  H     16.90037159     11.69322852    -14.43300177
  H     19.53674483      6.90103938    -17.11327992
  O     17.55837642     12.12101590     -9.97517717
  H     19.90903752      6.15241904    -12.60890170
  H     20.04407861      7.31582870    -18.51193504
  O     18.44406097     10.33345834    -11.96725401
  H     21.41945105      5.90900707    -12.83485255
  H     13.89429961     10.31475972    -12.24378495
  O     14.02359139     11.08483339    -10.60380999
  H     18.68257731      5.43213250    -15.66484491
  H     14.87089348     10.48083091    -13.42440373
  O     19.43189839      7.56006408    -17.82189871
  H     20.00038050      5.86119591    -14.97735161
  H     17.99635572     12.69692064    -16.55702139
  O     14.10055369      9.97729843    -13.12788566
  H     16.10060210      5.57740849    -15.80704113
  H     18.50735296     11.27386571    -16.23109821
  O     17.76563465     11.89284667    -16.10010393
  H     16.57597611      5.13172027    -14.39066299
  H     16.12571448      7.17713473    -17.97310031
  O     16.66349207      7.84657565    -18.41086143
  H     18.21982442      6.76151023    -11.04857278
  H     17.59119262      7.64315928    -18.23150009
          69
 Ord_Energy   -249.331955    
 O  -0.946110070     -0.961541951       1.05152929    
 H  -0.734788418     -0.161157042      0.553492606    
 H   -1.50517857     -0.682259321       1.78827918    
 O   -3.46999788       3.91201806     -0.787119150    
 H   -2.52547765       4.09394884     -0.868411005    
 H   -3.55735874       3.25598240      -8.30399469E-02
 O   -1.43577957      0.425066531      -2.92133999    
 H   -1.28515542      0.717296064      -2.01124740    
 H   -2.38656974      0.289319307      -3.01659822    
 O   -4.32754421      0.412213027      -3.09335041    
 H   -4.38393307       1.36365187      -3.24631786    
 H   -4.57892656      0.260439098      -2.16925097    
 O   -6.03568840      -3.46728325      -1.44721866    
 H   -5.27804565      -4.00505972      -1.17269599    
 H   -5.79885101      -3.04193377      -2.27815604    
 O   -3.75603175      -4.68728495     -0.407498270    
 H   -3.09039068      -5.08441067     -0.990734041    
 H   -3.47750616      -4.83601093      0.503485441    
 O   0.610936165      -4.03316689      -1.47185063    
 H    1.49055040      -4.32512140      -1.69808781    
 H   0.411850810      -3.28389716      -2.06020451    
 O  -0.416799814      -3.67532992       1.14504397    
 H   -3.72584686E-02  -3.86762595      0.278704524    
 H  -0.440143943      -2.71043777       1.20951486    
 O   -2.71836257      -4.62965012       2.18691564    
 H   -1.85722244      -4.32714319       1.84382486    
 H   -2.53591514      -5.31590080       2.82290769    
 O  -0.121814318      -2.06891847      -3.22402024    
 H  -0.383096904      -1.14492416      -3.12691069    
 H  -0.921775818      -2.49854374      -3.55752325    
 O   -1.81648624      -5.40546036      -2.19353414    
 H   -2.15132332      -4.73545170      -2.80688286    
 H  -0.942801952      -5.09128141      -1.93138623    
 O  -0.648817539       4.04576921      -1.34714150    
 H  -0.861750662       3.78523636      -2.26160502    
 H    1.46097997E-02   4.72773981      -1.40090740    
 O   -2.70607781      -3.05618691      -3.44273090    
 H   -3.57705474      -2.82643294      -3.78207040    
 H   -2.65122414      -2.63928080      -2.56803012    
 O   -2.77733326      -8.53572711E-02   3.02995968    
 H   -3.36281061     -0.853983581       2.89896750    
 H   -2.64330006       2.84665008E-03   3.96961546    
 O  -0.987230957       1.43803728     -0.342479587    
 H  -0.700532377       2.32233310     -0.600687921    
 H   -1.84434390       1.54869545       9.49518010E-02
 O   -4.79918861     -0.241115302     -0.471281171    
 H   -5.52101088     -0.706343710      -3.38061489E-02
 H   -4.08779049     -0.893895686     -0.580481410    
 O   -6.52603483      -2.04832983      0.785198212    
 H   -7.44134617      -2.10992026       1.04347050    
 H   -6.42090797      -2.59616661      -1.45558296E-02
 O   -2.80681205      -2.07604504     -0.804270923    
 H   -3.10012555      -2.96581459     -0.563047707    
 H   -2.10299635      -1.81481028     -0.199244976    
 O   -1.46366358       3.10981750      -3.76619124    
 H   -1.32500696       2.15899777      -3.65193963    
 H   -2.42138386       3.22545147      -3.78084326    
 O   -4.30439854       3.21669126      -3.27943730    
 H   -4.07356167       3.48570347      -2.37192822    
 H   -4.93334818       3.85628104      -3.60278273    
 O   -5.29483795      -2.04644990      -3.90040135    
 H   -4.98718691      -1.14598668      -3.70318604    
 H   -5.85632515      -1.98212659      -4.66912031    
 O   -3.45906711       1.68916547      0.946831584    
 H   -3.25631142       1.23756409       1.77498698    
 H   -4.01001883       1.07227468      0.441418022    
 O   -4.28038120      -2.26670432       2.56789494    
 H   -5.05146170      -2.27978134       1.98895574    
 H   -3.81794667      -3.10658073       2.45852304    
          69
 Energy    -249.33188814595118     
  O      0.72926640     -0.03128388      2.23002860
  H     -0.21464770     -0.22929864      2.13926257
  H     -3.59392455      0.89214549      4.61681551
  O     -3.82274700     -0.49300597     -2.80988886
  H      0.73738180      0.87083597      2.57253458
  H     -1.31371186      0.77832723      5.47433994
  O      0.47621353     -1.49140393      4.61920146
  H     -2.99393438     -0.03160902     -2.62403576
  H     -0.44975377      1.29331594      6.65040156
  O     -5.05387396     -0.36811540     -0.34587620
  H     -3.59402303     -1.43040163     -2.79215367
  H     -0.51955699      3.93883045      0.70507896
  O     -2.88658181     -3.16768867     -2.24185816
  H      0.24884639     -0.72411962      5.15662840
  H      0.39965458      3.15247457      1.62848596
  O     -0.70075930     -2.18862866     -0.87277158
  H      0.75297819     -1.11831680      3.77165778
  H     -3.79148593      0.88899800      0.10095949
  O     -2.53719288      3.02829191      2.46946961
  H     -4.80045814     -0.31009268     -1.27901571
  H     -2.37197599      1.18116495     -0.43285568
  O     -3.62998299     -2.30151857      4.76393138
  H     -4.77237787     -1.24758596     -0.06228181
  H     -2.37874706      0.26848039      1.56835309
  O      0.04576029      2.47361876      3.32129153
  H     -2.05235276     -2.85910049     -1.84819799
  H     -2.30454504     -0.09547491      3.08726801
  O     -1.35846067      0.45542997     -1.73977031
  H     -2.65775468     -3.86436711     -2.85216798
  H     -3.92760109     -3.18931427     -0.62229458
  O     -4.84914451      2.00748010      3.87495752
  H     -0.97139241     -2.52829744     -0.00921370
  H     -3.34104613     -3.07850010      0.79490439
  O     -2.86183398      0.30075318      4.83023315
  H      0.18357472     -1.80789772     -0.75773150
  H      1.40048903     -0.55464610      0.59861974
  O     -0.40531163      1.00690046      5.74174589
  H     -3.31773357      2.83950806      3.00216790
  H      1.54476444      0.10733646     -0.77444158
  O      0.29818180      3.44141598      0.71011220
  H     -2.69533019      2.57193402      1.63000156
  H      0.82467734      2.43323814     -0.65167879
  O     -2.98640889      1.39123379      0.28377401
  H     -4.26556803     -2.53428797      4.07680738
  H      1.60291735      2.40406377     -1.98510171
  O     -2.02460492     -0.36486616      2.20455800
  H     -2.84401158     -2.84205382      4.61597214
  H     -0.54033907     -2.89272760      4.42416750
  O     -4.17071615     -3.01910221      0.29521670
  H     -0.87477390      2.66826341      3.07820036
  H     -0.77230985     -4.39378657      4.71058410
  O      1.55424353     -0.75166137     -0.33700952
  H      0.01407096      2.09187545      4.20563534
  H     -1.50131323     -3.38775988      2.42694856
  O      1.04922762      1.87560496     -1.41600935
  H     -0.53778320      0.96320157     -1.75078776
  H     -1.90781934     -2.02771934      1.82402407
  O     -1.14050738     -3.64159498      4.25506485
  H     -1.13505056     -0.43066720     -1.42377167
  H     -5.14497227     -2.94043594      1.81668524
  O     -1.76735743     -2.96480587      1.60367379
  H     -5.56557325      2.50395898      4.26125757
  H     -6.29981075     -3.36262416      2.74806606
  O     -5.55263223     -2.77190047      2.68119512
  H     -5.25509126      1.34507211      3.28692440
  H     -5.84220675     -0.85472201      2.56367693
  O     -5.88775910      0.06973208      2.29463393
  H     -3.20135491     -0.60504614      4.90723038
  H     -5.76263786      0.05944648      1.33664842
          69
 Energy    -249.33171457100997     
  O      2.85204074     -0.30168328      5.90391935
  H      2.36632414      0.51070207      5.70315600
  H      0.83968109      2.77940209      0.20248397
  O     -0.61283706      2.03167106      7.26406563
  H      3.29788260     -0.58731756      5.09283437
  H     -0.01355012      1.56478415      2.29835450
  O     -0.06071825     -4.97020288      4.14323160
  H     -0.84380966      2.67995761      7.92414775
  H     -0.44898874      0.18748333      2.87638808
  O      3.48123242     -4.23984667      6.97623364
  H     -0.73885486      1.15798008      7.67497291
  H      3.59642001      0.52386301      0.85867021
  O      3.92789213     -1.12722690      3.51577110
  H      0.15167846     -4.88350372      5.08278633
  H      2.57125569     -0.61595299      0.66796743
  O      4.19758246     -3.82304820      4.35415605
  H     -0.88913181     -4.49715262      4.00727461
  H     -1.80606972      1.29045772      4.31481358
  O      3.25952048     -1.60929587      8.25029998
  H      3.82713920     -4.12657029      6.07668443
  H     -1.87958468      1.62116622      5.81724025
  O     -1.07789230     -0.46222952      8.24591519
  H      3.59036606     -3.39347007      7.42088609
  H      2.27010675      2.79485489      2.39673603
  O      0.73365903     -2.51849176      9.03309828
  H      4.37919840     -0.38830534      3.08933970
  H      2.43164064      2.60220538      3.91785021
  O      2.09102069     -2.14099656      1.65144415
  H      3.26900707     -1.45199227      2.88577816
  H      1.36565074     -1.30860839      5.55552548
  O      4.85554169      1.14646667      2.19037570
  H      3.55410923     -4.22152855      3.75586681
  H      0.73297201     -2.72331807      5.71078555
  O      1.06448690      2.27976538      0.98253342
  H      4.27135906     -2.89961871      4.08372396
  H      2.27022926     -5.64005345      2.13564324
  O     -0.41807760      1.13621823      3.06252484
  H      3.98961145     -1.21442071      8.72049636
  H      1.35539922     -4.86807419      3.11138843
  O      2.79364931      0.27982944      0.38154636
  H      3.15030544     -1.09932299      7.42887355
  H     -1.14332080     -1.53070269      5.69392339
  O     -2.36557857      1.20008961      5.09840009
  H     -0.47448666     -1.14348781      8.56447452
  H     -2.33358405     -0.54912668      5.51376676
  O      2.91960048      2.81081553      3.11119160
  H     -1.60644681     -0.87825504      7.55293259
  H     -3.32067950     -3.57894799      3.62040244
  O      0.60885235     -1.85228095      5.31183328
  H      0.79260437     -2.88842228      9.91152811
  H     -2.43594608     -2.70083390      4.53259290
  O      2.15856810     -4.79628012      2.56635760
  H      1.62304054     -2.20349913      8.80519977
  H      0.53466199     -3.80130785      7.53732096
  O     -2.10527901     -1.45104007      5.78840441
  H      2.19115644     -3.08601200      1.82294181
  H      1.73938741     -4.39382587      6.78197089
  O     -2.41842078     -3.31280684      3.77706824
  H      1.18500750     -1.92577876      1.91604811
  H      0.68149673      1.54769588      4.45989622
  O      0.78002507     -4.25075486      6.72208612
  H      4.22551595      1.78851907      2.56496640
  H      0.68098722      1.99462024      5.94352390
  O      1.25785966      1.82249952      5.18850206
  H      5.67847108      1.60873855      2.05880933
  H     -1.15242774     -2.17693442      2.83027503
  O     -0.36646314     -1.62345401      2.77507724
  H      1.64170648      1.54981634      0.69420663
  H      0.07131747     -1.72306798      3.63760715
          69
 Energy    -249.33149058407162     
  O     12.44165717     10.62063385    -16.13014959
  H     11.96830944     10.30223955    -15.35126210
  H     16.56669874     11.12755033    -17.24435203
  O     15.43252547      6.03013755    -13.33695568
  H     13.02818022     11.32398431    -15.82777360
  H     16.46265282      8.24466413    -15.41570716
  O     17.66282277      9.88328997    -12.53739488
  H     14.71625637      6.26210261    -12.73194197
  H     15.47751211      7.48058475    -14.47160987
  O     13.30656925      6.07758509    -16.32779430
  H     16.26955412      6.31926011    -12.94769115
  H     11.32344034      8.56883507    -14.00323431
  O     14.64260078      9.48986945     -9.50435171
  H     16.76724686     10.13444964    -12.81235039
  H     10.15226493      9.55899422    -13.80291342
  O     13.40138967      6.83131096    -11.68649115
  H     17.67455279      9.95265414    -11.57462163
  H     17.61147339      6.87622921    -10.76574233
  O     15.14907136     10.48299703    -13.45759295
  H     14.14667442      5.60939933    -16.27403034
  H     17.43629699      7.98956969     -9.72263324
  O     18.00647782      8.46368374    -16.45095236
  H     13.47367887      6.88112935    -16.83604431
  H     12.32195482      6.56729053    -14.86033720
  O     14.70142983      6.63263737     -9.20538321
  H     14.55882165      8.55420178     -9.28231613
  H     12.30015940      6.66403970    -13.30559085
  O     18.34313454      6.02681063    -15.13896389
  H     14.01708272      9.64809642    -10.22328763
  H     18.46106518     10.43754307    -14.03327507
  O     15.80312519      4.69111798    -15.67117700
  H     13.74650806      6.64833898    -10.80368777
  H     19.65126639     11.07089868    -14.78842113
  O     16.67370411     11.79436216    -16.55464236
  H     13.28291661      7.79077503    -11.73852370
  H     18.21106517      6.65630994    -13.44310527
  O     15.59747414      8.28606910    -14.98940178
  H     15.23329409      9.72367626    -14.05685082
  H     17.87265234      7.97986093    -12.67590091
  O     11.10307192      9.50802819    -13.85616619
  H     14.88467755     11.24343355    -13.98908172
  H     16.34221471      9.84644111     -9.66653637
  O     17.30373792      7.04443587     -9.86492212
  H     17.53739443      8.80777151    -17.22191370
  H     17.61042214     10.47467153     -9.04265621
  O     11.83884803      6.93478315    -14.10673860
  H     18.38917428      9.21888212    -15.98522538
  H     15.46257636      9.29064808    -18.07682937
  O     18.78582347     10.68898148    -14.91390481
  H     14.63303568      6.06633653     -8.44164424
  H     16.28849454      9.61869648    -19.34344318
  O     17.91332730      7.01863778    -12.59493014
  H     15.64760119      6.68917992     -9.43029753
  H     13.83286919      9.95664575    -12.37372476
  O     17.30977622      9.92075131     -9.75805860
  H     18.36857413      6.79939467    -15.71984560
  H     12.31761114      9.67401234    -12.43290279
  O     16.32017784      9.62787515    -18.39058387
  H     17.59235708      5.50016147    -15.43723184
  H     15.22057266     12.31737689    -15.76372996
  O     13.08863033      9.61607334    -11.85533168
  H     15.70865378      3.74297749    -15.60811744
  H     14.33146314     13.45543296    -15.20491909
  O     14.42384466     12.50712603    -15.23600087
  H     15.61463323      5.04639311    -14.78409457
  H     13.38813612      9.35789394    -16.97066719
  O     14.04606089      8.69205461    -17.22082500
  H     17.40506992     11.50069669    -15.99896758
  H     14.53207128      8.48857619    -16.40616513
          69
 Energy    -249.33144254931085     
  O     13.75284785      5.49483259     -9.65156557
  H     13.34483887      5.09937560    -10.43025771
  H     12.41415721      7.16111721    -14.79985791
  O     15.35969621      7.06856799    -16.72119464
  H     14.70788971      5.39095808     -9.76737843
  H     15.72572237     10.78226631    -12.26524030
  O     17.97668080      9.01087095    -13.96407526
  H     15.16692285      6.72203668    -17.58877572
  H     15.58885526      9.24742784    -12.43206870
  O     14.58528885     12.05327363    -12.81297603
  H     14.50429240      7.21369558    -16.28181118
  H     14.80739967      7.05208407    -12.81401841
  O     11.42505997      6.49618322    -13.38262635
  H     18.84850559      8.91389843    -13.56393980
  H     13.71115368      8.08382189    -12.38045983
  O     19.19460986      5.12584079    -10.44824913
  H     17.40535047      9.41284021    -13.29239386
  H     13.85200104      4.64140121    -12.52179642
  O     16.38691141      8.43050251     -9.82457529
  H     14.65082964     12.04668459    -13.77698930
  H     12.87877542      3.45126160    -12.36402272
  O     11.87643630     11.04667472    -12.53558946
  H     13.67846208     11.79436639    -12.61083822
  H     21.15980003      8.87285719    -12.44696796
  O     19.49557644      5.75081582    -13.07119359
  H     11.84147164      5.71245940    -13.00315285
  H     19.93839112      8.36708598    -11.64167618
  O     14.68706707     11.76857281    -15.66347121
  H     11.49122600      7.17238395    -12.69591118
  H     16.10581243      5.59780813    -13.49107177
  O     12.29870836     10.36109286    -15.11571764
  H     19.80569463      4.44250319    -10.18785050
  H     15.89096832      5.39106855    -11.95569240
  O     13.13100128      7.64170088    -15.23768450
  H     19.31183235      5.26198953    -11.40602320
  H     16.06015042      8.85347413    -16.44992497
  O     16.18530472      9.94542040    -12.11295167
  H     15.49580744      8.43945622     -9.45648014
  H     17.03042663      9.54000593    -15.46449985
  O     14.52358257      7.97059523    -12.89480882
  H     16.37157365      9.03710067    -10.58068091
  H     17.45269427      7.31559471    -14.39029788
  O     12.96920116      4.38742380    -12.20220845
  H     11.95551383     10.79661209    -13.47486643
  H     16.65464015      6.51494610    -15.44344199
  O     20.31435542      8.44194352    -12.53724636
  H     11.12812056     11.63448514    -12.47139953
  H     19.25042820      7.01991323    -10.04617837
  O     15.46201143      5.32930952    -12.82216893
  H     19.88297205      6.63372121    -13.00783472
  H     18.30170865      8.22622511     -9.86591523
  O     16.37663870      9.71422782    -16.15512376
  H     18.77430854      5.82044631    -13.70812265
  H     17.39336432      5.37654527    -10.25419386
  O     17.21342367      6.41675693    -14.66316001
  H     15.31110587     11.04634622    -15.85517449
  H     16.48518182      6.63666528    -10.15265341
  O     19.20705999      7.98314601    -10.09521454
  H     14.86959700     12.46057612    -16.29357313
  H     13.30120847      8.25342483     -8.14176345
  O     16.47774934      5.67832433    -10.29309238
  H     13.07701424     10.85801152    -15.40080431
  H     13.60733550      7.16559804     -9.19913115
  O     13.62447436      8.12581691     -9.03022425
  H     12.48904494      9.43208896    -15.29343702
  H     12.06605557      9.40889980    -11.72793606
  O     12.21728440      8.48945591    -11.46735769
  H     13.72521465      7.88591939    -14.51088010
  H     12.60236774      8.48513961    -10.58245416
          69
 Energy    -249.33134645746719     
  O     -7.71769021     -2.01196061      6.27465554
  H     -8.21936344     -1.27707084      6.64757826
  H     -8.49247901     -1.62843520      0.06509616
  O    -10.71442002     -2.11397842      3.02270430
  H     -6.78730805     -1.75930809      6.29437044
  H     -4.16538900      1.26707128      2.44070894
  O     -8.61413976     -3.61461447      4.28141518
  H    -10.08619354     -2.71796021      3.43490807
  H     -4.70333721      0.40508033      1.26814618
  O     -6.07325318      0.41412203     -0.04895425
  H    -10.72864966     -1.33517445      3.59584359
  H     -7.39997028     -0.62301325      3.14352553
  O     -5.93200105      1.24852042      5.38048378
  H     -8.67456912     -4.50680484      4.61179915
  H     -7.09291711      0.56235224      4.11542180
  O     -4.93892295      4.82574797      0.44875407
  H     -8.32625316     -3.05826725      5.02803263
  H     -4.68442051     -1.45210680      5.22839334
  O    -10.73038035      1.73733166      0.71954903
  H     -6.49163169     -0.44093759     -0.19826440
  H     -4.26711473     -1.57138164      6.71618656
  O     -9.30588579      0.17748821      7.22717726
  H     -6.76178422      0.97998031      0.32986386
  H     -8.90873037      5.17949139      4.41181123
  O     -4.37482121     -1.69996723      3.57116520
  H     -5.49327845      0.45304447      5.70862269
  H     -7.99060612      4.23271213      3.61490976
  O     -4.06360744      2.34917254     -0.38580907
  H     -5.30979569      1.74583923      4.83512264
  H    -10.17781883      3.16050870      3.60755156
  O    -10.24239494      0.17358632      4.56933200
  H     -4.60209233      3.98035275      0.10688967
  H    -10.77049239      1.74833967      3.80618057
  O     -7.60486897     -1.97603399     -0.14557374
  H     -4.74021951      5.47677816     -0.21882318
  H     -7.13050583     -2.29135946      1.61297070
  O     -3.96178078      0.50615583      1.88258107
  H    -11.39923781      2.15191509      0.18199620
  H     -7.49413366     -2.84670742      3.03691197
  O     -7.70058765      0.24810975      3.43462034
  H    -10.86757424      2.05112973      1.63203843
  H    -10.31630898     -1.46509572      1.39719772
  O     -4.94855274     -1.23365765      6.14210454
  H     -9.73393377      0.26478912      8.07447327
  H    -10.32933480     -0.14329512      0.58782616
  O     -8.72063269      4.25652486      4.25371191
  H     -8.91669827      1.04590583      7.01771453
  H     -8.40527872      3.11076041      5.77328382
  O    -10.86046107      2.56070437      3.28705262
  H     -4.08229171     -0.98092690      2.99621146
  H     -7.29657865      2.11861362      6.16835937
  O     -6.88594315     -2.27812575      2.54669854
  H     -5.19938772     -2.02345453      3.18147551
  H     -5.28816869      3.21999779      3.14964660
  O    -10.00654387     -1.04981138      0.57787999
  H     -3.56426391      1.87659367      0.28790783
  H     -3.82002940      3.43018959      3.57390634
  O     -8.13916795      2.49461798      6.46425084
  H     -4.80493527      1.75406196     -0.56547283
  H     -8.91707883      1.88434729      0.96401587
  O     -4.51475442      2.77675771      3.53459898
  H    -10.09159383      0.12923506      5.52012395
  H     -7.95370140      1.28963639      2.03624526
  O     -8.00138708      1.87884044      1.26598826
  H     -9.36325211      0.17763328      4.15937601
  H     -7.18345540      3.28152802      1.91452481
  O     -6.70244944      3.99658595      2.36094555
  H     -7.71662003     -2.61008762     -0.84819021
  H     -6.14883031      4.42405808      1.69087169
          69
 Energy    -249.33119629165881     
  O     20.28311505      9.16783477    -13.89118092
  H     20.00348210      9.80141723    -13.22216139
  H     19.53505821      2.87291195    -14.74180707
  O     15.46407653      8.49530759    -10.32957490
  H     20.48498591      8.35034131    -13.41023566
  H     15.84655991      8.57900058    -14.58226600
  O     12.55744818     10.13524251    -14.19409980
  H     15.93742416      9.14728505    -10.86729289
  H     17.36248460      8.70937146    -14.98290833
  O     18.83914004      8.26679311    -15.97562657
  H     16.11908450      7.87659930     -9.98010613
  H     16.97482379      5.99161842    -12.87418612
  O     11.69927064      8.47369822    -11.94801755
  H     12.04010830     10.79832660    -14.64298424
  H     17.29015266      7.47874507    -13.16859753
  O     18.43324832      4.02605277     -9.82709903
  H     13.10745494     10.60431031    -13.54034110
  H     14.11160034      7.54785674    -13.86034426
  O     13.96856321      6.94441415    -12.16009605
  H     19.41494165      8.61214049    -15.26808071
  H     13.56907489      8.68716996    -14.74723857
  O     20.63321068      4.21374659    -11.75774271
  H     19.18810335      8.59822599    -16.79851858
  H     17.80752485      5.80929691     -9.67254403
  O     17.24471494      3.08214099    -12.07271017
  H     12.02271039      8.98902278    -11.19697717
  H     17.53338202      6.76029751    -10.84554533
  O     15.46200853      4.87320493    -13.19987454
  H     11.81202123      9.03728521    -12.72284216
  H     14.98277225     11.12593080    -12.17808731
  O     20.34752336      6.85573556    -12.40939819
  H     17.95063444      3.64851283    -10.58488429
  H     13.66709618     10.97343168    -11.39350095
  O     19.15779374      3.50138518    -14.13065380
  H     18.46948591      3.34410226     -9.16113217
  H     20.13839816      7.88335725    -10.86517578
  O     16.72175901      8.84431886    -14.27332338
  H     14.53424460      7.41767429    -11.53645509
  H     19.00347812      7.92943710     -9.84082182
  O     17.55593037      6.72223771    -12.63165956
  H     13.07829938      7.31145316    -12.05913670
  H     19.95447851     11.42354736    -11.21752368
  O     14.15216108      7.91768692    -14.75611481
  H     20.18468170      3.92285286    -12.56281335
  H     19.54868404      9.94559618    -11.00886915
  O     17.51571436      6.70580733     -9.87600364
  H     19.98507448      4.13773457    -11.04713886
  H     14.65686415      5.28482130    -16.61358495
  O     14.03087094     11.28441476    -12.23167835
  H     16.49186076      3.59087275    -12.40320455
  H     14.78285900      6.47887552    -15.64242103
  O     19.74853787      8.44117005    -10.17701065
  H     17.89379877      3.10003517    -12.78764511
  H     17.14249760      5.54013005    -15.86517498
  O     19.41559644     10.72502653    -11.57922708
  H     14.84760382      5.47799076    -12.75910444
  H     18.42376523      6.39152858    -15.79304472
  O     15.21111129      5.65635641    -15.93105324
  H     15.33249684      4.97741821    -14.14921804
  H     13.94940861      9.36163784     -9.93021932
  O     18.09229881      5.48983275    -15.70773212
  H     19.39369116      6.76931721    -12.55398196
  H     12.97328787     10.10020397     -8.98667919
  O     13.13164807      9.88736297     -9.90271417
  H     20.65483279      5.97088305    -12.17319117
  H     16.70252502      9.89818136    -12.85695576
  O     16.67932538     10.36676636    -12.00869561
  H     18.80853866      4.22957217    -14.67135481
  H     17.59147757     10.61069519    -11.81050409
          69
 Energy    -249.33103836559775     
  O     -7.54358094     -2.15596833      6.26687816
  H     -8.13212514     -1.48136165      6.62562642
  H     -7.92745253     -1.74205415      0.00737206
  O    -10.24527554     -2.47936177      2.80467735
  H     -6.64396282     -1.81878031      6.35418202
  H     -4.23119264      1.70986091      2.70186547
  O     -8.08780780     -3.79417153      4.17523056
  H    -10.37578915     -1.73058288      3.40258594
  H     -4.50159688      0.76869322      1.49559223
  O     -5.73021208      0.50428854      0.07700331
  H     -9.58318560     -3.03115952      3.23655577
  H     -7.14428601     -0.69918974      3.11816265
  O     -6.11538065      1.23915865      5.45887031
  H     -8.08613035     -4.69465923      4.48831510
  H     -7.67038302      0.68981990      2.63924461
  O     -5.77970110      5.00256680      0.29969494
  H     -7.92841653     -3.22767628      4.95196884
  H     -4.54000160     -1.19907715      5.44782821
  O    -10.49959050      1.44802747      0.58409438
  H     -6.04648680     -0.38616347     -0.10789012
  H     -4.19578174     -1.36343228      6.94957914
  O     -9.37177957     -0.12933705      7.17192180
  H     -6.49555220      0.99358508      0.41645841
  H     -9.51466912      4.91345925      4.47657470
  O     -4.09160085     -1.29691505      3.80159820
  H     -6.63511198      0.83504924      4.74419478
  H     -8.45662796      4.13165457      3.67316725
  O     -4.16964227      2.80924692     -0.17496242
  H     -5.64308051      0.52078958      5.89613493
  H    -10.42095414      2.76573571      3.55143577
  O    -10.10379883     -0.22162998      4.45446414
  H     -5.69526063      5.61635153     -0.42470709
  H    -10.79151803      1.27066720      3.66532658
  O     -7.00645873     -2.02300861     -0.15289778
  H     -5.18330052      4.26315954      0.09480164
  H     -6.57585077     -2.30809791      1.62020564
  O     -3.84861085      1.00012119      2.17200704
  H    -11.17781405      1.78883671      0.00790783
  H     -6.95679040     -2.90784743      3.02000069
  O     -7.54606696      0.12759985      3.41505551
  H    -10.76024498      1.67693931      1.49499652
  H     -9.82301269     -1.73347334      1.22638779
  O     -4.88557348     -1.08600134      6.35377289
  H     -9.86861458     -0.11021945      7.98541350
  H     -9.90835584     -0.39709651      0.44401074
  O     -9.19708568      4.03165121      4.29317160
  H     -9.07691459      0.78305374      7.00136371
  H     -8.75500191      2.91471168      5.80795852
  O    -10.96743436      2.07617491      3.15785754
  H     -3.86867680     -0.52420381      3.26686988
  H     -7.56056955      2.04127452      6.23727052
  O     -6.38407010     -2.27596261      2.56587003
  H     -4.81157452     -1.74184993      3.33286307
  H     -4.19469560      3.55065303      4.37716361
  O     -9.50667901     -1.27110646      0.43509750
  H     -3.62038284      2.49498764      0.54873649
  H     -5.26394933      2.44062432      4.53688039
  O     -8.44143241      2.33511769      6.51100950
  H     -4.72923388      2.04550574     -0.37657729
  H     -7.64731102      2.68546673      1.62012268
  O     -4.86880719      3.06693362      3.90577568
  H    -10.01379442     -0.25407803      5.41316535
  H     -8.74156425      1.78797548      0.93195235
  O     -7.82569279      1.81831825      1.23608977
  H     -9.20517360     -0.12571460      4.10189827
  H     -6.68789454      4.58369721      1.76276322
  O     -7.05392901      4.15980355      2.55400150
  H     -7.02885336     -2.64230999     -0.87678054
  H     -6.29681214      3.81463763      3.04733966
          69
 Ord_Energy   -249.330719    
 O   -9.49614429       1.97989261       3.89986992    
 H   -9.29016399       2.42356968       4.73037767    
 H   -8.78233242       2.21058512       3.28656578    
 O   -5.24871874      -6.98207766E-02  -1.80873883    
 H   -6.11509705     -0.363820583      -1.47553730    
 H   -5.16784859     -0.407697767      -2.69670701    
 O   -8.66173744      -2.42018723       1.24230969    
 H   -8.08543491      -2.37856936       2.01137376    
 H   -9.54517651      -2.21913409       1.57689583    
 O   -9.29627037       1.40236783     -0.598149896    
 H   -8.86697960       2.25951934     -0.509015083    
 H   -9.92733288       1.32637465      0.133021146    
 O   -7.32306194       2.60599947       2.30601335    
 H   -6.93492365       1.76222217       2.03042746    
 H   -7.48847723       3.11699057       1.50521553    
 O   -6.26316690      0.173076645       1.60187054    
 H   -6.78722620     -0.101133242      0.835347533    
 H   -5.33420706      0.106071331       1.35096800    
 O   -8.42169189       2.93991041       6.37056684    
 H   -8.34553146       2.02146053       6.68587589    
 H   -8.74757004       3.45732141       7.10178566    
 O   -8.10739708      0.296573520       6.94417620    
 H   -8.66849804     -0.177558944       6.31693459    
 H   -7.20089817      0.115663193       6.66564608    
 O   -5.34834766       2.69585419     -0.985011935    
 H   -4.61874580       2.75703001     -0.355809927    
 H   -5.31917477       1.80409920      -1.35061061    
 O   -9.40571117     -0.719895720       4.59979773    
 H   -8.56872940      -1.07626283       4.26620579    
 H   -9.44297981      0.213859275       4.34084368    
 O   -3.55681038       2.46903491       3.52527642    
 H   -3.22412324       1.67871511       3.96774101    
 H   -4.36202669       2.71554375       3.99702048    
 O   -5.10336065      -3.49564457       3.36440516    
 H   -4.33973980      -2.95174956       3.10294223    
 H   -4.87234497      -4.39798784       3.16407466    
 O   -6.09520531       2.74556947       4.74472952    
 H   -6.79349995       2.97354078       5.36940098    
 H   -6.49647522       2.79200649       3.86276245    
 O   -7.62226534     -0.705088794     -0.650938869    
 H   -8.26404190       2.15143394E-02 -0.718919158    
 H   -8.02313328      -1.41056180     -0.124455512    
 O   -6.97901821      -1.57510734       3.56845927    
 H   -6.36258507      -2.32417226       3.54940939    
 H   -6.71838856     -0.951250792       2.87272477    
 O   -11.0575380      -1.64877272       2.59300566    
 H   -10.5677080      -1.38809288       3.39088869    
 H   -11.8206778      -2.13997293       2.88695049    
 O   -2.95984387       4.37708795E-02   4.90191984    
 H   -3.88416123      -2.00812202E-02   5.19617510    
 H   -2.41653752      -9.14333165E-02   5.67462111    
 O   -3.16782403       2.65977001      0.860834718    
 H   -2.38284755       3.18333602      0.721714199    
 H   -3.32753158       2.64836621       1.82157743    
 O   -3.10698748      -1.77548158       2.69847107    
 H   -2.95409417      -1.15547991       3.42157817    
 H   -3.21061301      -1.24418712       1.89827430    
 O   -7.69887018       3.76952481     -0.193973497    
 H   -6.85532713       3.42437530     -0.539017677    
 H   -7.83798409       4.62035847     -0.600191414    
 O   -3.67474627      -7.50343278E-02  0.534224033    
 H   -3.37319732      0.840706766      0.604729176    
 H   -4.08842707     -0.172923058     -0.333572268    
 O   -5.65180397       6.67873397E-02   5.47040796    
 H   -6.08772945     -0.525336742       4.84388924    
 H   -5.82328701      0.976684272       5.18408966    
 O   -10.9470320       1.06678927       1.61380064    
 H   -10.6133318       1.48116875       2.41874933    
 H   -11.0947723      0.141551539       1.84183764    
          69
 Energy    -249.33067265148946     
  O     -3.28057160     -1.18334636      3.38587512
  H     -3.94965585     -0.97450501      4.03266925
  H      3.25599090     -0.59408435      2.24391462
  O     -0.50358073      2.66263503      2.05325303
  H     -3.46506324     -0.62676383      2.60570265
  H     -1.42761054     -3.48044028      1.26919400
  O      1.29119190     -1.00334891      4.75528362
  H     -0.61806246      1.83673521      2.54559664
  H     -0.61993057     -2.33307246      0.64021646
  O      1.42355119     -3.56316743     -0.79049290
  H     -1.39021231      3.02193730      1.92772894
  H     -1.64387637     -0.20333287      3.44627204
  O     -2.88119582      0.05918190     -1.31824573
  H      2.06743407     -0.48374324      4.51710643
  H     -0.42120884     -0.19187690      2.49424921
  O     -3.65797824      0.49671943      1.34719087
  H      0.53918003     -0.51836569      4.38822641
  H     -2.47419041     -2.88952674     -0.74438845
  O     -2.54239733      2.88054040     -1.22010147
  H      1.96483051     -3.71789352     -0.00677910
  H     -3.29584775     -3.43311749     -1.92361486
  O      0.25947889      2.68192735     -0.65868682
  H      0.51083529     -3.57368848     -0.47430142
  H     -2.49540866     -4.29249784      3.47286201
  O      1.94226433     -1.51045825     -2.50747900
  H     -1.92168289      0.05161695     -1.45273176
  H     -2.43915703     -2.77705452      3.18347740
  O     -0.13935509      0.11350132     -1.54462514
  H     -3.15973620     -0.86101532     -1.42012369
  H      2.62101134      2.77099951      1.44611884
  O      0.28251069     -0.82479900      1.02186160
  H     -3.41767726      0.30323962      0.43132949
  H      1.36333159      2.75026084      2.34194003
  O      3.05061145     -1.05502687      1.42028989
  H     -3.55795325      1.44899662      1.45461245
  H      2.09910356     -3.74394412      2.37585228
  O     -1.09876857     -3.14851586      0.42577575
  H     -2.77912163      1.95924106     -1.39487075
  H      3.38465052     -4.51812654      1.99581950
  O     -0.78144890      0.20100111      3.30729248
  H     -1.57717644      2.91889901     -1.22164027
  H     -0.05482078     -3.53300502      3.45008489
  O     -3.21335597     -2.68428552     -1.33849682
  H      0.00346453      2.63962654      0.27450968
  H      1.05984758     -2.64025524      4.04938397
  O     -1.96295863     -3.61428742      3.06370919
  H      1.20242092      2.88667139     -0.67262633
  H      3.03505878      1.31970685      3.24784273
  O      2.31954771      2.61679870      2.34950346
  H      1.78624882     -2.26308158     -1.90929112
  H      4.19983528      0.86530392      4.15814850
  O      2.80433802     -3.82004118      1.70585321
  H      2.09607956     -1.87797149     -3.37366871
  H      3.06548568     -0.27972662     -1.58803441
  O      0.89809423     -3.46047958      3.55809321
  H      0.12487666      1.02732708     -1.36284952
  H      3.43678514     -0.17216425     -0.10242184
  O      3.44111905      0.54517432      3.67803247
  H      0.57999861     -0.35092074     -1.98785752
  H     -3.00589037      3.25461413      0.41637117
  O      3.48659660      0.30175291     -0.94555668
  H      1.23634256     -0.90685760      1.15003381
  H     -3.75887226      4.06351477      1.49914295
  O     -3.16177229      3.33098896      1.37568249
  H      0.13417864     -0.43473668      0.15049853
  H      3.72492421      3.44074552     -0.79442306
  O      3.03690258      2.90266244     -0.41323518
  H      3.10292287     -2.00685787      1.57393313
  H      3.24074442      1.97729201     -0.64251373
          69
 Energy    -249.33046856171444     
  O     12.25067652     10.41466900    -15.60593916
  H     12.79196510     11.20051272    -15.48509952
  H     15.43132281      5.66032457    -16.42493010
  O     16.09450222      5.87899547    -13.33458414
  H     12.82786439      9.79649132    -16.07552076
  H     19.37650931      7.59034814    -14.97200899
  O     17.38862667      9.96704932    -11.60180243
  H     15.30251594      5.94242388    -12.78381419
  H     20.81277537      7.44048933    -14.41503608
  O     17.66316838     11.70604862    -15.99959482
  H     16.83124029      6.25448935    -12.83199907
  H     15.81990566     11.85167479    -15.75469959
  O     13.61728055      6.28082408    -16.84140954
  H     17.21197921      9.94925025    -10.65309755
  H     14.69835463     10.89392741    -16.16072541
  O     14.12868077      8.77018278     -9.12952954
  H     16.57096627     10.24622543    -12.03767254
  H     15.91513522      7.48994456    -14.16237345
  O     13.79187503      6.34926580    -11.88066738
  H     18.10695431     11.25865659    -15.25750486
  H     16.85333188      8.24679949    -15.11265655
  O     15.13822876     10.43782853    -13.14200329
  H     18.23312640     12.42426408    -16.26313628
  H     10.14816496      9.08703262    -13.61294408
  O     17.09307059      9.47836553    -17.71430679
  H     13.08225616      5.69652598    -17.37231016
  H     11.44300827      9.51756989    -14.34346563
  O     14.63891730      5.93760893     -9.24666038
  H     13.19820102      6.32331012    -15.96262550
  H     17.63804957      6.83733379    -10.30523916
  O     18.19148972      7.45116392    -16.22640096
  H     13.69525586      8.96367251     -9.97179605
  H     17.15925006      7.74750076     -9.16002540
  O     16.31471079      5.43683011    -16.11090862
  H     14.16488688      7.80815669     -9.06269552
  H     11.92279541      7.29408929    -14.18033210
  O     19.94091777      7.75784816    -14.19569171
  H     13.99863927      6.07289411    -10.97912492
  H     12.88598531      6.27619660    -13.55127663
  O     14.87131009     11.69350558    -15.64923873
  H     13.61059557      7.29924990    -11.83612746
  H     18.46631010     10.37841625    -13.08498616
  O     16.04624977      8.34440707    -14.59349172
  H     15.49936800      9.65988192    -13.60001551
  H     19.36915651      9.58634657    -14.04736365
  O     11.08939005      8.93758109    -13.64650392
  H     14.96928111     11.07480256    -13.84474525
  H     18.85318582      7.33696991    -12.71173965
  O     17.19673670      6.82627493     -9.44600659
  H     17.29969326     10.27987623    -17.21579312
  H     17.84496540      8.20053660    -11.92510274
  O     12.47895488      6.53389603    -14.38767500
  H     16.14527946      9.33358133    -17.61647058
  H     15.74969238      9.38157971     -8.95421989
  O     18.89533032     10.42026865    -13.94944389
  H     14.57192683      5.24576684     -8.59443097
  H     16.82101273     10.11708279     -8.11261064
  O     18.14571818      7.28957362    -12.05759773
  H     15.58206599      6.17364418     -9.31124630
  H     13.82631976      9.62153144    -12.20761682
  O     16.69652927      9.60708786     -8.90830589
  H     17.60159518      6.68471090    -16.29496093
  H     12.37433472      9.08117632    -12.29831463
  O     13.16872764      9.07793847    -11.75072432
  H     17.92783044      8.10066642    -16.89337606
  H     14.08059152      8.08225174    -16.98951470
  O     14.40400755      8.95054108    -16.71577644
  H     16.24431941      5.38277230    -15.14710064
  H     14.93812798      8.76971854    -15.92554158
          69
 Energy    -249.33020539115756     
  O     17.00082362     10.32701431    -10.91785413
  H     16.25062842     10.12671256    -11.49439578
  H     13.50047713      9.77422502     -6.80825604
  O     14.92885534      5.34817131     -6.98410911
  H     17.77095154      9.85911993    -11.27049833
  H     17.21726407      5.55558961    -13.46960549
  O     12.66000904      6.95165696     -7.71556945
  H     14.97317376      4.58744506     -6.41152497
  H     18.38745231      4.55800398    -13.64115696
  O     14.88010644      9.39128978    -12.42482197
  H     15.25659682      6.10706635     -6.46760212
  H     15.60098478      5.66461796     -8.69889362
  O     19.27181092      8.89571576    -11.56379098
  H     12.78997663      7.68987993     -7.10808456
  H     15.83897654      7.06378699     -9.30216685
  O     20.50446220     10.09396563     -9.31844652
  H     13.35125227      6.31328694     -7.50440130
  H     18.57721037      7.13285647    -13.95558055
  O     18.41866143      6.41488078    -10.62390665
  H     15.21570556      9.28822090    -13.32429905
  H     18.95034184      8.49116141    -13.34782924
  O     11.85774039      7.50087423    -10.24388523
  H     14.67829044      8.49803606    -12.11068215
  H     16.06360605      9.09463067    -15.77444473
  O     15.88398109     12.52948399     -7.53166782
  H     18.98792755      8.04045528    -11.20531347
  H     17.00871445      8.57715427    -14.66428412
  O     12.73511444     10.20416635    -10.69027099
  H     19.83907414      9.30971994    -10.90300263
  H     16.33326216      9.25773941     -9.64557341
  O     14.01471514     10.58745458     -8.30046452
  H     21.28496910     10.61199502     -9.13822952
  H     16.56867578      8.76524078     -8.18351761
  O     13.32230189      9.18550378     -6.05575508
  H     19.74720729     10.60700842     -8.99034846
  H     17.74185882     11.07631033     -9.41278685
  O     18.14942680      5.38934842    -13.23960695
  H     17.55605554      6.24389861    -10.22083223
  H     17.46590928     11.84887421     -8.11482053
  O     15.87605050      6.11385792     -9.50622045
  H     18.40772345      5.97167596    -11.48212240
  H     16.46253341      8.09089904     -5.91514805
  O     18.60333974      8.07800819    -14.14981253
  H     12.12764390      7.29847373     -9.33027996
  H     14.93288110      8.19626433     -5.68748222
  O     16.07560018      8.74642092    -14.88711034
  H     10.96252503      7.18683529    -10.34088688
  H     14.76764529      6.43896626    -10.90133921
  O     15.94426790      8.74714756     -8.92201694
  H     15.49208193     13.39937928     -7.51446276
  H     13.33774711      6.95565387    -11.21056678
  O     18.13381090     11.30646058     -8.55693449
  H     15.17615739     11.92384727     -7.80139184
  H     20.11314974      8.30132775     -8.63939492
  O     15.68091802      7.58766706     -5.65195721
  H     12.34436464      9.32996529    -10.56402368
  H     19.34310541      7.02241391     -9.03941564
  O     14.20127500      6.78374173    -11.60597287
  H     13.40774122     10.09181658    -11.37376027
  H     17.96715369      9.84457404     -7.26506302
  O     19.66886858      7.52303947     -8.28105484
  H     14.67622070      9.90077727     -8.47856103
  H     18.47715755      8.37809284     -7.25500877
  O     17.80289669      8.97211443     -6.88782064
  H     13.46410499     10.61689243     -9.09539883
  H     15.65943747      6.92398412    -14.36325903
  O     15.61066424      6.07511563    -13.90760313
  H     12.82244669      9.69234786     -5.42100413
  H     15.02431870      6.21589492    -13.15128782
          69
 Energy    -249.33012783001456     
  O      0.68347929      0.95050679      2.71103801
  H      1.22630658      0.79779881      1.92419747
  H     -2.85503177     -0.45949319      5.13877829
  O     -3.29179538      0.97342205     -2.99814679
  H     -0.21988982      0.65094240      2.52508241
  H     -1.72698204      1.31411374      5.66632564
  O      0.37550448     -0.99673746      4.71040235
  H     -3.47543101      1.56861442     -3.72035237
  H     -1.64996210      0.68696601      7.07953709
  O     -4.64597071     -0.35222183     -0.88632441
  H     -2.62511868      1.40833404     -2.43954732
  H     -0.37505127      3.89772923      1.31527842
  O     -1.75469747     -1.47339603     -2.92518655
  H      0.65892759     -0.31981648      4.08089759
  H     -1.25738855      4.81448716      0.46493439
  O      0.08139513     -0.44537350     -1.13746517
  H     -0.26409755     -0.56090967      5.28554956
  H     -3.99559659      0.97562466      0.19362176
  O     -4.24096423      2.56379162      3.18117278
  H     -4.37033750      0.09749033     -1.69406471
  H     -2.75885464      1.88255158      0.04044011
  O     -2.90982749     -3.46336798      3.43418322
  H     -4.07911965     -1.13431750     -0.80600798
  H     -2.38322913     -0.27968662      3.00460882
  O      0.21705946      3.59556953      3.04465981
  H     -2.24021069     -2.01413502     -2.28823243
  H     -2.46545660      0.61782991      1.73240993
  O     -1.40787972      1.94887151     -1.23149919
  H     -2.32319162     -0.71792545     -3.11672089
  H     -2.22899317     -2.50092502     -0.11415147
  O     -5.80536219      0.23165579      3.77736450
  H     -0.40647314     -0.79914311     -1.89414047
  H     -3.62844019     -3.13848842     -0.05217851
  O     -3.34281133     -0.91320608      4.43941598
  H     -0.11855559     -1.04142808     -0.40017900
  H      1.49759229      0.23423034     -0.26708085
  O     -1.63760642      0.47221674      6.15112266
  H     -4.02354218      2.39701341      2.25414592
  H      2.98194447      0.54034071     -0.01187947
  O     -0.70070081      4.03950393      0.41496447
  H     -4.85214335      1.85975480      3.42784417
  H     -2.77952854      2.73059986      4.21247519
  O     -3.47437606      1.65222261      0.64640979
  H     -1.94874964     -3.52924633      3.41377582
  H     -1.28266936      3.13007963      4.18556509
  O     -1.88759754      0.03300346      2.23748556
  H     -3.10585283     -2.62066355      3.86827655
  H      0.11305673     -2.50818935      3.86214830
  O     -3.04278292     -2.62574060     -0.62325859
  H      0.45649053      2.65443201      2.97113523
  H      0.59654445     -3.95429589      3.61459459
  O      2.11825889      0.58835511      0.38953523
  H      0.95723992      4.03565075      3.45545023
  H     -0.41998966     -2.61273592      1.61628183
  O     -1.96332749      2.73067517      4.73565532
  H     -1.02545512      2.69030293     -0.74109763
  H     -1.23681502     -1.33132535      1.36741401
  O     -0.04748476     -3.31010927      3.33338016
  H     -0.82467980      1.18386406     -1.13592992
  H     -5.07039218     -4.63068194      1.47781489
  O     -0.78893216     -2.06491278      0.91538344
  H     -6.67394583      0.23255236      4.17037772
  H     -4.00622466     -3.71455740      2.12860567
  O     -4.63723566     -3.78613862      1.38909423
  H     -5.87618107     -0.26978163      2.94474090
  H     -5.54181712     -2.11935220      1.50744700
  O     -5.89047393     -1.21939871      1.49471093
  H     -4.20732969     -0.49395048      4.33988796
  H     -5.64783174     -0.85862391      0.63295776
          69
 Energy    -249.32995179486960     
  O     12.23566773      9.65030470    -11.36018549
  H     12.47934404      9.30801430    -12.22774000
  H     14.38672504      8.02254410    -13.06161825
  O     12.64020646      7.75609610    -13.49895228
  H     11.58234703     10.35235387    -11.47700158
  H     13.78727306     13.92861682     -8.05447226
  O      9.07154894     10.08336241    -13.24335561
  H     12.07868458      8.18549742    -14.15703705
  H     13.07159752     12.76109960     -7.32889630
  O     14.28840188     10.19005951     -9.70403703
  H     12.05991582      7.31757725    -12.86214318
  H     10.25257990     12.86549378     -8.64706082
  O     15.33950988      7.60542175     -9.94916931
  H      9.67848329      9.74288405    -13.91150121
  H     10.27448359     11.91432492     -9.87367806
  O     12.20115733     15.25192362    -10.64121393
  H      8.84661010      9.35322555    -12.65300351
  H     11.94279347      9.30381357     -7.31544975
  O      8.46155458      8.12379176    -11.21959973
  H     14.81272908      9.38213866     -9.66593473
  H     11.41592399      8.23565614     -6.33347715
  O     12.51446629     13.29988490    -12.54519887
  H     13.53454665      9.98701870    -10.28490587
  H     12.45763732      7.26906594     -8.46104081
  O     14.77654871     14.44536974     -9.60361280
  H     14.48085198      7.24422145     -9.66297459
  H     12.24385123      6.66062044     -9.86022121
  O     11.07839256      7.12084841    -11.25229520
  H     16.01157325      7.04600148     -9.56966344
  H     15.25321483     11.90687807    -12.14622648
  O     10.73422522     14.62891047     -8.22747954
  H     13.08251357     15.12886311    -10.26667087
  H     14.74501119     11.58883414    -10.71939801
  O     15.22733041      8.36300824    -12.72272362
  H     11.58913434     15.10724348     -9.91009002
  H     10.92330201      9.41676638    -16.08899769
  O     13.14766002     13.72329493     -7.36085691
  H      8.72473393      8.55858804    -10.38758939
  H     11.72474695     10.13133422    -14.97428915
  O     10.24733816     11.93621827     -8.90366684
  H      7.57699392      7.79388641    -11.08566100
  H      9.87928441     11.29998923    -12.24904965
  O     11.55009578      8.41687996     -7.26094763
  H     12.30552233     14.08469365    -12.01726095
  H     11.06017417     12.33975102    -12.03475214
  O     12.89444068      6.75609760     -9.15229683
  H     13.30884685     12.92445763    -12.14201469
  H     10.00723192      8.85649250     -8.36656900
  O     14.90402450     12.31295692    -11.34309808
  H     14.90216363     13.72083637    -10.23799945
  H      9.50193253     10.22197467     -8.85946834
  O     11.10147165      9.40270751    -15.15226196
  H     15.58487608     14.95257693     -9.60588904
  H     12.66868682     12.09894981    -13.97590761
  O     10.43886986     11.74468984    -11.59548432
  H     11.43902318      8.01074469    -11.10784387
  H     13.82101610     11.13928058    -14.31889071
  O      9.33543624      9.27188936     -8.91848889
  H     10.12265401      7.24428911    -11.28676793
  H     16.34294180     10.87630896    -14.23017049
  O     12.89160077     11.32000142    -14.50189553
  H     11.58735456     14.37046733     -7.83380315
  H     15.51190581      9.95121235    -13.30849762
  O     15.59171290     10.86338827    -13.64324315
  H     10.33547267     15.25900239     -7.63333497
  H     11.77312759     11.29026921     -8.15415464
  O     12.55665033     10.95001511     -7.69435418
  H     15.30422665      8.05645877    -11.81234410
  H     13.22129984     10.72283346     -8.36130777
          69
 Energy    -249.32990421906001     
  O     -2.33183123      5.00538039      4.31280115
  H     -1.75005460      4.75231968      3.58359203
  H     -3.19040836     -3.66101052      1.29863171
  O      1.04663014      0.51106892      0.93117735
  H     -2.03822516      4.47939045      5.06723670
  H     -0.65772863      2.36132007     -1.04562480
  O     -1.23186178     -0.67075825      3.79082418
  H      0.55086437     -0.31066876      1.03003235
  H      0.27850909      1.97328866     -2.21824393
  O     -3.87460734      1.62534848      0.61915662
  H      0.74724180      0.90448105      0.10202895
  H     -5.49013972      5.24679756      4.28275970
  O     -3.51571387     -2.18225194     -2.15579402
  H     -2.08746236     -1.09520773      3.94471365
  H     -4.04350534      4.75942329      4.04459466
  O     -0.84839277     -1.59282756      1.18700625
  H     -0.94592130     -0.98070625      2.92050585
  H     -1.39169986      3.67904161      0.61707252
  O     -5.50201438     -0.21703800      5.10650205
  H     -3.33476875      1.58657876      1.42650481
  H     -2.59769208      3.00748148     -0.07013023
  O     -7.16785593      0.53471253      3.11218058
  H     -4.67277581      2.11538611      0.86947134
  H     -5.66111980      3.43618393      2.54957193
  O     -1.64222417      3.09347097      6.34472124
  H     -3.02829114     -1.43956186     -1.76607927
  H     -6.46069490      2.13181777      2.31976850
  O     -2.21571702     -0.11782434     -0.81559460
  H     -3.80944713     -1.88434731     -3.01320608
  H     -1.40174020      2.97522635      2.61645645
  O     -5.20914332     -0.74527593      1.54870258
  H     -1.37136564     -1.15057168      0.50455126
  H      0.08575788      3.37521036      2.52781640
  O     -2.46421521     -3.80684549      1.93383661
  H     -1.29916089     -2.42382693      1.38412183
  H     -3.32324718     -2.68760744      3.24210231
  O     -0.11439392      1.64169605     -1.41571447
  H     -4.97836862      0.57785847      5.28242614
  H     -4.20986956     -1.46852222      2.94438210
  O     -4.97928870      4.49233875      4.00021932
  H     -4.88240009     -0.89744975      4.81642407
  H      2.51988057      2.50289639      2.86476262
  O     -1.75536367      3.43978453     -0.24767320
  H     -8.07490826      0.31478692      3.30633112
  H      1.43077885      1.62991736      2.19908508
  O     -5.96654467      2.82679846      1.86658300
  H     -6.64058990      0.27013231      3.88775181
  H     -0.28893681      0.57983985      4.80568290
  O     -0.80770424      3.70019102      2.36518802
  H     -1.35128380      3.22816706      7.24259528
  H      0.67897438      1.72183404      4.44402210
  O     -3.71817478     -1.90880004      3.65334766
  H     -0.99624260      2.49384571      5.92979690
  H     -4.50218795      2.95494228      4.94418719
  O      1.58761001      2.30430724      2.88453302
  H     -1.47938093      0.41812606     -1.13761427
  H     -3.27763901      2.45173229      5.76464657
  O      0.09559840      1.40046055      5.14212726
  H     -2.84505690      0.48989664     -0.40445254
  H     -4.86476901     -2.36480199      0.64392206
  O     -4.05867881      2.16197901      5.27394265
  H     -5.98613063     -0.39317684      2.00164944
  H     -4.19845224     -2.92241309     -0.63523951
  O     -4.46367554     -3.15751314      0.26504120
  H     -4.76745496      0.01269218      1.14972966
  H     -3.12304114      1.81126259      3.72133771
  O     -2.54174549      1.61835309      2.97536526
  H     -2.31019907     -4.74668880      1.96750943
  H     -2.01870910      0.84477681      3.22140147
          69
 Energy    -249.32949299502491     
  O     17.27120090     11.37837818    -14.14056107
  H     17.71791486     10.92025630    -13.41300563
  H     16.73243148     11.73142243     -9.90405803
  O     15.14482053      6.30960062    -12.17003989
  H     16.55106991     11.87401070    -13.73753961
  H     16.47331198      9.30942062    -12.03359171
  O     11.70162617      9.00222900    -12.60438988
  H     15.20793669      6.11231923    -13.11345331
  H     15.07149909      9.45777653    -12.71414911
  O     19.22562293      7.29670197    -12.45277496
  H     15.35122644      7.25549718    -12.08595403
  H     17.28019464     10.27916209    -15.47397569
  O     12.25579836      7.49052862    -16.63206409
  H     12.03359086      8.17089096    -12.23442886
  H     17.77656838      9.96469604    -16.90543005
  O     15.25169681      6.16064348    -14.94449051
  H     11.14428094      8.76321181    -13.35614394
  H     11.64526997      5.74337350    -12.91974827
  O     13.84916012     10.33041332    -13.77965961
  H     18.76184312      7.19707373    -13.30415312
  H     10.79642702      6.29331885    -14.08143015
  O     16.95907682      8.59357952     -8.64638444
  H     20.09015096      6.91075402    -12.56473431
  H     17.06516725      6.66572568    -14.87800425
  O     12.93468146      4.81820161    -15.80141305
  H     12.48919617      6.56015354    -16.52782278
  H     17.76483498      7.97698685    -15.29024165
  O     14.47298017      9.58077918     -9.54092709
  H     13.07628570      7.98684888    -16.50510559
  H     10.98838779     10.40055183     -9.69212560
  O     17.37995182      6.46164111    -10.40689280
  H     14.55513802      5.58123798    -15.27518143
  H     11.59575692      9.67711512    -10.90581846
  O     15.83660328     11.96052754    -10.17606667
  H     15.01522807      7.05647156    -15.22739438
  H     12.45071100      6.54709539    -10.52003499
  O     15.56318167      8.98759115    -12.03045410
  H     13.05897169     10.00588216    -13.32637260
  H     13.47200401      6.41029673    -11.67467740
  O     17.28348079      9.60195622    -16.17456968
  H     14.10640647     11.18616425    -13.41289563
  H     10.98999036      7.89047575    -15.51469645
  O     11.25691160      5.50411039    -13.77055733
  H     16.03512977      8.84627126     -8.77133464
  H      9.49699977      8.21089735    -15.26405178
  O     17.89191794      7.15780711    -14.79663818
  H     17.10936685      7.80463735     -9.18738577
  H     18.98134042     11.02397271     -8.75107285
  O     11.73624929      9.87609789     -9.96769369
  H     12.72085866      3.95614209    -16.14756730
  H     17.88663451      9.97254573     -9.06126451
  O     12.53601569      6.57517146    -11.47030735
  H     12.33593282      4.97647751    -15.04974861
  H     15.51816635      9.03909498    -16.11925457
  O     10.31796665      8.01704661    -14.82017914
  H     14.79835736      9.32957278    -10.41901527
  H     14.32683381      9.34085960    -15.17726229
  O     18.33821292     10.76688238     -9.40497724
  H     13.51446255      9.67813699     -9.60326460
  H     14.88278302     13.53432043    -12.71943545
  O     14.63774033      8.73558362    -15.86664617
  H     18.06256842      6.67806552    -11.05354507
  H     15.35159191     12.39368297    -11.78942369
  O     15.06769622     12.59916735    -12.69815851
  H     16.61363189      6.19435478    -10.92875426
  H     18.38194446     10.19631201    -11.13949470
  O     18.23449218      9.87252358    -12.03765014
  H     15.28063293     11.24156064     -9.84548432
  H     18.68201767      9.02147615    -12.13044754
          69
 Energy    -249.32914934126512     
  O     10.46077598     10.26886165    -12.19382962
  H     10.12874291      9.95497914    -13.04419423
  H     15.60049275      6.54206266    -18.07093068
  O     13.87979965      7.41661434    -15.50156352
  H     11.30964327     10.69317504    -12.37506189
  H     18.61941440      7.89990182    -15.78930539
  O     17.56989593     10.03911545    -10.96963731
  H     13.61410233      6.84563548    -14.76640960
  H     17.58821591      6.95115328    -16.43053047
  O     18.80204576      9.85992960    -15.68436225
  H     13.29763416      8.19003180    -15.49698000
  H     15.90359378     12.04569471    -13.92528425
  O     12.38979447      9.71168839    -15.22775700
  H     17.65332247      9.06773884    -10.92798988
  H     15.43821600     13.51654648    -14.04088727
  O     15.49875229      5.77150652    -10.17415746
  H     18.11271403     10.38804187    -10.26819883
  H     16.13360642      9.31836861    -13.90811785
  O     13.23266159      5.94951074    -13.22909617
  H     19.56863363     10.19094749    -16.14490238
  H     15.08062711      8.25580342    -14.39747629
  O     14.77408596      9.54409628    -11.31727028
  H     18.05421990      9.90425963    -16.31168569
  H      9.86025134      8.05804827     -9.98245848
  O     16.65824934      9.82126276    -17.27675162
  H     12.63053983     10.14810795    -14.39826376
  H     10.47518302      8.87038070    -11.14863763
  O     15.49601199      4.35168367    -12.72391063
  H     11.45326091      9.48768676    -15.16126082
  H     16.69280075      7.04263369    -13.45556695
  O     17.20257248     10.86926462    -13.64807592
  H     15.48908332      5.15838621    -10.91821292
  H     17.79746040      6.36920236    -14.28668112
  O     15.89083858      7.07774415    -17.33682604
  H     14.66186636      6.25073041    -10.23009766
  H     11.36241477      6.30463407    -13.32653803
  O     18.38326283      6.96955641    -15.88211132
  H     13.91490083      5.27477964    -13.12424783
  H     10.42366652      7.00923138    -12.32574908
  O     15.13195582     12.61447093    -14.08959454
  H     13.23956005      6.45982467    -12.40564339
  H     17.80146174      6.93964421    -11.76137491
  O     15.65992774      8.51234287    -13.67042473
  H     15.02294838      9.08010203    -12.13505563
  H     16.95996021      6.85318076    -10.48637126
  O     10.50740619      8.01651707    -10.68110057
  H     15.61016182      9.84203152    -10.94537534
  H     13.63458917     10.72729904    -16.22346106
  O     17.28327889      6.27445149    -13.47380708
  H     15.86574629     10.34246715    -17.08187735
  H     14.62939398     11.80535291    -15.76302049
  O     10.49049759      6.71008540    -13.24151260
  H     16.36474898      8.91609872    -17.43066088
  H     13.71563269      8.15319513    -10.84837133
  O     17.67863869      7.35393331    -10.89872832
  H     16.18853448      4.96600874    -13.02458681
  H     12.29392660      7.55443687    -10.63065189
  O     14.41665523     11.22107649    -16.50002843
  H     15.82821702      3.46994771    -12.87014706
  H     13.61068299     10.59510463    -12.24374604
  O     13.21671174      7.32587608    -10.79497381
  H     17.44484745     10.60672726    -12.74944161
  H     13.67845470     11.74927245    -13.26341758
  O     13.08018576     11.09715722    -12.87834829
  H     17.88148914     10.56213774    -14.26448705
  H     10.00392030      8.07869311    -14.20645525
  O      9.78426982      8.92158858    -14.64364510
  H     15.14195151      7.13382531    -16.72012038
  H      8.96137386      8.78884110    -15.10561546
          69
 Energy    -249.32889749418581     
  O      1.67499553     -3.34965813     -3.19751581
  H      1.85150505     -3.32715986     -4.13474909
  H      3.14097929     -1.90571853      1.10481193
  O     -0.42726002      0.13826666      2.47342482
  H      2.54056783     -3.34538823     -2.75280496
  H     -2.10932954     -7.04564526     -0.39676273
  O     -1.68319059     -4.02697245      0.30534995
  H     -1.04076219      0.80639989      2.76640583
  H     -0.79741239     -6.70353762     -1.12795620
  O      3.90806383     -5.51283001      3.30454202
  H     -0.84243851     -0.31069172      1.71439752
  H      1.86166504     -5.81259474      1.00221856
  O      5.01266129     -0.73314753     -0.91829002
  H     -1.08847658     -4.31654055     -0.39989751
  H      3.05015073     -5.11778496      0.28178222
  O     -2.33414788     -6.81499624      2.82497288
  H     -2.43228862     -4.63604802      0.30328535
  H     -0.23754123     -3.75531526      3.19024028
  O      1.38457175     -6.43096805      2.64373684
  H      3.02785354     -5.89319472      3.15046370
  H     -0.96766642     -4.35022764      1.95914003
  O     -1.45948785     -1.19415071      0.34707714
  H      4.35413337     -6.09667944      3.91396385
  H      4.56043398     -3.42410279      1.00478860
  O      2.47031847      0.60227288     -1.26883919
  H      4.74341452     -0.94625858     -0.00878667
  H      4.57122334     -4.82141393      1.63627198
  O      0.56853610     -1.31857196     -1.55723494
  H      5.85998612     -0.29848788     -0.85881957
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  O      1.59526145     -2.64570905      0.67405988
  H     -1.82302537     -6.02137688      3.03621093
  H      0.32741322     -1.39081828      3.24816028
  O      3.98636452     -1.60834179      1.48107902
  H     -1.68417317     -7.48263990      2.57459954
  H      2.54460739     -2.54526673      3.90014649
  O     -1.24649706     -7.40488828     -0.63924340
  H      0.70199396     -5.75899389      2.79436355
  H      3.62305083     -3.65213097      3.84205770
  O      2.12464566     -5.37468719      0.18228181
  H      0.92321961     -7.23601393      2.37465829
  H     -0.55750852     -8.12417404      0.79849204
  O     -0.62988465     -4.56560461      2.84096265
  H     -0.87674344     -1.10128486     -0.41958788
  H     -0.22529174     -9.41071071      1.58977396
  O      4.64477469     -4.36144005      0.78911405
  H     -1.66572017     -2.13611785      0.39119474
  H     -4.49965058     -6.23711449      0.48739715
  O      0.78671980     -2.23878816      3.28228490
  H      3.36857523      0.25884900     -1.31684566
  H     -3.23529757     -6.39979305      1.36771162
  O      3.49968052     -2.69987632      3.92655289
  H      2.33302148      0.83683252     -0.33816517
  H      2.78456154      0.14702717      1.77169062
  O     -0.25189962     -8.46027159      1.66044892
  H      1.20170948     -0.58257920     -1.54650639
  H      1.31919124      0.62658774      1.86007299
  O     -3.55233506     -6.13289683      0.48624326
  H      0.85943585     -1.94134102     -2.23212245
  H      0.84175574     -5.31229798     -1.01093298
  O      2.18335656      0.83995208      1.48554162
  H      1.70157227     -3.57510942      0.44251352
  H      0.48670542     -4.55123501     -2.29323092
  O      0.10246070     -5.10465342     -1.60474187
  H      1.18258353     -2.19046653     -0.07120602
  H      4.42179857     -3.78938541     -1.18319379
  O      4.09617814     -3.23427097     -1.89807497
  H      3.97612040     -1.87868071      2.41149534
  H      4.43960967     -2.35055953     -1.71011657
          69
 Energy    -249.32800480015885     
  O     -1.59092799     -0.87144083      1.89265233
  H     -2.33350158     -0.68450237      2.49218055
  H     -0.63166368      4.52986274      3.75128037
  O     -6.63549825     -1.57789854      4.44169548
  H     -1.59720722     -0.14564797      1.25466239
  H     -0.98953711      2.89522948      5.31988403
  O     -5.87888056     -0.44584263      1.95480690
  H     -6.63384556     -1.16781976      3.56694773
  H     -1.00224437      1.38984530      4.95477233
  O     -5.02009013     -1.91805387     -0.30676281
  H     -6.08868952     -2.36457714      4.33756936
  H     -0.83006245      4.26015619      1.54192282
  O     -1.91313490      1.47570037      0.43027813
  H     -5.08436432     -0.44645923      2.51122042
  H     -2.26042013      4.20726031      2.11911625
  O     -4.15328418      0.55925522     -0.98109794
  H     -5.69822871     -1.03803064      1.21419740
  H     -1.05260262     -0.45751981      7.24282605
  O     -0.44045095     -1.84132204      6.00314694
  H     -5.45919642     -2.31639725     -1.05330182
  H     -1.54785390      0.98112421      7.03359344
  O     -3.12367584     -2.24547704      5.61812802
  H     -4.65081024     -1.07217582     -0.61887148
  H      0.96571218      3.05625256      3.63682614
  O     -4.72088582     -3.74484495      3.93085569
  H     -1.09939848      1.98819008      0.35232553
  H      0.95913582      1.53515331      3.37839177
  O     -3.66344851      2.98571736      2.03921162
  H     -2.48878252      1.96491188      1.03626334
  H     -3.51579866     -0.92947408      4.32888253
  O      0.37500479      3.08264423      0.58581426
  H     -4.80204301      1.15156674     -0.58207969
  H     -3.75831863      0.55929984      3.95227373
  O     -0.13877795      4.34677387      4.57175228
  H     -3.29532908      0.84846119     -0.64144484
  H     -6.84996270      2.36184309      0.67183988
  O     -1.41970856      2.05449712      5.52118830
  H     -1.37063098     -2.06165088      5.82139408
  H     -6.02343180      1.17470974      1.21928812
  O     -1.41113865      4.66226081      2.19907269
  H      0.00513731     -2.66186527      6.19752103
  H     -3.18824425     -0.45316450      7.90270803
  O     -1.60161324      0.22933955      7.63953623
  H     -3.57928494     -1.91738733      6.40523132
  H     -4.24644209     -1.10713216      8.82531917
  O      1.29584498      2.37517220      3.03825222
  H     -3.69588553     -2.87127916      5.15491653
  H     -6.07948496     -0.17464156      5.55320910
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  H     -4.97932475     -4.66024012      3.86387789
  H     -5.20534048      0.09104165      6.79473968
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  H     -4.23683628     -3.53206478      3.11268741
  H     -2.60760621     -2.48515955      1.68511786
  O     -4.03980214     -0.92677244      7.91244925
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  H     -3.90282402     -2.79564566      0.92204470
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  H     -3.83541997      2.78613959      2.97138217
  H     -0.49647275     -0.26919275      3.23221125
  O     -3.35438636     -3.09672011      1.65770395
  H      0.77233015      2.79223563      1.42670413
  H     -0.03704231     -0.58637806      4.67846703
  O     -0.05506683      0.10605422      4.00686153
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  H     -4.67979491      1.73707839      5.22080071
  O     -4.04658577      2.19819937      4.64827898
  H      0.11929123      5.19012789      4.93301064
  H     -3.18196794      2.21540999      5.08287190
          69
 Energy    -249.32789940758076     
  O     -2.48688755      4.53223120      3.22877961
  H     -2.99447768      4.07312252      3.89282116
  H     -0.33698779      8.25138334     -2.63094757
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  O     -0.84136419      9.24929177     -1.06882310
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  H      1.04794225      3.16832068      1.59009391
  O      1.11527367      9.51980117      3.82660225
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  H     -1.03076979     10.06347142     -0.58726527
  H     -0.73020376      2.53159322     -3.10748746
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  H     -0.03562947      8.89020169     -0.66662786
  H     -1.68926699      1.48616906     -1.43668982
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  H     -2.88547432      2.19467645     -2.11339758
  O     -2.25348943      7.25595360      2.48143230
  H      1.65423316      9.86234900      4.53392042
  H      1.04909701      3.60261497     -2.09597676
  O     -1.07043517      5.04524424     -0.71725672
  H     -1.97568467      9.04687329      2.92006640
  H      1.55696208      3.44015220     -0.61585260
  O     -2.81792272      3.49490811      0.75411620
  H     -0.76539491      9.83769592      3.45241660
  H      0.56136481      5.28154754      2.58718280
  O     -1.09343295      1.28674620      0.27137895
  H      1.88901626      7.65574897     -0.53376331
  H     -0.58217357      4.31639431      2.93113757
  O      0.01034235      7.57134900     -3.22234745
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  H     -5.36255713      2.85263491     -1.68188572
  O      1.41896024      2.52165820      0.96182892
  H     -2.03423129      6.50768884     -0.34042791
  H     -4.39213539      4.05570596     -1.74294456
  O      0.02021615      3.00131825     -3.51839140
  H     -2.12059905      8.03041981     -0.57821658
  H     -1.03236291      6.16643739     -3.48765930
  O     -2.02883551      1.79220200     -2.29130616
  H     -2.51845723      7.28107675      1.54977241
  H     -1.03148780      4.61212875     -3.67899912
  O      1.49458304      4.05015943     -1.36275528
  H     -2.44148956      6.37073820      2.81465077
  H     -3.29962671      5.63298035     -2.80944021
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  H     -3.77733704      6.34457780     -1.52836414
  O     -4.47675927      3.12682951     -1.46129570
  H     -1.34578487      5.12295262     -1.64270949
  H     -0.42369275      7.17881504      2.42641690
  O     -1.58426754      5.36824734     -3.45345140
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  H      0.83324950      7.84190866      3.03672682
  O     -4.04361969      5.69787570     -2.19291456
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  H      3.26513364      6.51659699     -2.33927878
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  H     -0.21544854      1.60730173      0.50691293
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  H     -1.71046802      1.95446077      0.59909752
  H     -1.64106267     12.19953789      0.77356707
  O     -1.15686145     11.37856568      0.75417772
  H      0.85846965      7.29958701     -2.85296060
  H     -1.40142986     10.88997382      1.56064609
          69
 Energy    -249.32754436386290     
  O     -1.03177634      0.24732492      1.17781303
  H     -0.99747488     -0.70322672      1.02102319
  H     -0.67937779     -2.20853636      4.34048510
  O     -0.89628127      4.12193180     -1.16737943
  H     -0.44943670      0.44954527      1.92363585
  H     -3.80932314     -0.40661832      3.70143802
  O     -1.74763067      4.04039580      1.52973756
  H     -0.56542704      4.83965907     -1.70119651
  H     -2.90397364     -1.61919618      3.99779414
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  O     -3.78253590     -2.39889243      0.97276704
  H     -1.45847206      4.21750181      0.62644979
  H     -2.64581511      4.33976565      3.25677431
  O     -1.31203669     -0.01374399     -2.61097014
  H     -2.30180712      3.24959157      1.47505102
  H     -0.37110566      0.82288595      4.50786622
  O     -3.60485115     -0.67874614     -1.28864378
  H      1.56310609      0.20847594     -0.70137919
  H     -1.16230295     -0.18886371      5.35370933
  O     -2.65686560      2.60423337     -2.57796737
  H      1.48191686     -1.29508101     -1.00248675
  H     -3.51996246      1.61799516      2.34255088
  O      0.26389899      1.53549462     -0.87137196
  H     -3.76736953     -1.98417048      1.85378374
  H     -2.55287247      1.11940080      1.24392137
  O      0.06606459     -2.28775336     -1.92975673
  H     -4.45093899     -3.07855011      1.00328286
  H     -2.71164224      1.18198405      4.51655602
  O     -0.99895810     -2.52183225      0.67327135
  H     -0.77712359      0.55906074     -2.04216957
  H     -3.58031917      2.41226186      4.20593359
  O     -1.35321737     -2.02667664      5.02036550
  H     -2.11707436     -0.26518686     -2.12600442
  H     -0.48601032      3.68638324      6.61506006
  O     -3.64360565     -1.32363790      3.45245254
  H     -4.15992318      0.10113475     -1.16713044
  H     -0.84823666      2.51224371      5.68109539
  O     -3.03257476      4.16033337      4.12275799
  H     -3.73107315     -1.23163231     -0.50905184
  H     -0.03235648     -2.64884243      2.21795709
  O     -1.03206824      0.75664553      5.21612808
  H     -2.28387444      1.75680213     -2.84450887
  H      1.23227160     -2.01134622      2.82249949
  O     -3.30990492      1.70350714      1.40401873
  H     -3.45388734      2.39961671     -2.07166278
  H      1.51909040      0.48601969      2.85524013
  O     -3.56529335      1.44537821      4.14580347
  H     -0.21053112      1.15383817     -0.11588827
  H      0.84976673      1.91419250      3.05813674
  O     -0.74521429      3.47708903      5.72106432
  H      0.01727078      2.46485418     -0.92386791
  H     -0.20272678      3.84417473      2.55187750
  O      0.44291746     -2.51447156      3.05027942
  H      0.21487912     -2.88259072     -2.66016121
  H      0.21102172      3.76003131      4.03480666
  O      0.73363129      0.95627386      3.15575069
  H     -0.41778145     -1.52341136     -2.28647543
  H     -4.31799399      1.85438824     -0.00365293
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  H     -1.96085038     -2.61272134      0.68590817
  H     -5.65714995      2.22662257     -0.68638710
  O     -4.79390183      1.85855367     -0.85349619
  H     -0.69625422     -2.55389890     -0.24275820
  H      3.55234147     -0.96334524      2.20794107
  O      2.61220877     -0.83152998      2.12068066
  H     -1.32304918     -2.75366718      5.63654073
  H      2.42468080     -0.78656684      1.16613782
          69
 Energy    -249.32751645338874     
  O     12.74506128      9.74072901    -10.79241197
  H     13.14569455     10.12735276    -10.00078364
  H     14.39087641     15.41108475     -7.44626779
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  H      9.53502766     12.56712835     -9.20609656
  O     11.35769935     11.93995664    -11.62494305
  H     13.20042742      8.82171614    -14.26807008
  H     10.63518863     12.77363250    -10.26334626
  O     14.19627634     10.94945938     -8.78636555
  H     13.83721908      7.61245155    -14.98848121
  H     11.25964791      7.14996289     -6.74500140
  O     15.17740535      6.89315138    -10.29618575
  H     12.06999999     12.36001484    -12.12405563
  H     11.26277522      8.56799015     -7.36353269
  O     13.43539297     15.38126292    -12.21724889
  H     11.73717035     11.11244864    -11.29142312
  H      9.96176980     10.46721981     -7.74108484
  O      8.95127292      9.33646144    -10.96393185
  H     13.56110422     11.47802604     -8.28811140
  H     11.30186482     10.99726266     -7.18540540
  O     13.58004794     12.70609937    -13.04859328
  H     14.30961331     10.08884632     -8.35348640
  H     13.40049386      8.03044331     -7.78474629
  O     15.35560177     14.40734771    -10.29741303
  H     15.76088892      6.14209903    -10.22461665
  H     14.60761379      7.82263296     -8.72782852
  O     11.07164420      7.63808179    -10.27948255
  H     14.40200276      6.60007634    -10.80795302
  H     15.56157861     10.85544229    -11.55970219
  O     11.87802982     15.41427671     -9.98646270
  H     12.81493222     15.41810014    -11.46723100
  H     15.03765117     11.51860814    -10.27557109
  O     13.90409947     14.83856204     -8.03315183
  H     13.41473337     16.23943504    -12.63228313
  H     12.88237456     11.19893289    -14.06414237
  O     10.24723159     13.16406364     -9.46369573
  H      9.13793447      9.62986717    -11.86183082
  H     11.54253182     10.42742839    -14.16828893
  O     11.55802614      7.64898741     -7.50060689
  H      9.59328865      8.64184115    -10.76152418
  H     10.22326303     11.21352014    -12.77020219
  O     10.74554747     10.21112678     -7.23936705
  H     13.56013608     13.66440152    -12.92720434
  H      9.12908999     11.21541244    -13.86366988
  O     14.28834691      8.35101260     -7.98583557
  H     14.23897379     12.36313756    -12.42694856
  H      8.65322555     10.41131997     -9.62763278
  O     15.41135892     11.71658642    -11.14891574
  H     14.83708941     14.81206036    -11.00316101
  H      7.62210033     10.92366504     -8.59572250
  O     12.47797679     10.38914386    -14.39973293
  H     15.55541309     13.51136879    -10.59826200
  H     14.83698294      8.68320760    -12.87401830
  O      9.75850441     10.65353673    -13.41667758
  H     11.15619766      7.48439383     -9.33029625
  H     15.36040038      8.36648261    -11.44861216
  O      8.53331018     11.00482058     -8.86474716
  H     11.65461400      8.39081587    -10.47273912
  H     13.09125381      6.82083974    -12.65536287
  O     15.21659203      9.08340890    -12.08109036
  H     12.50183459     15.33876643     -9.25337818
  H     12.22945586      6.64397291    -11.37423697
  O     13.01570943      6.31978844    -11.83427574
  H     11.17918205     14.77372005     -9.80304322
  H     11.56208834     12.80285765     -8.23415712
  O     12.27199207     12.58576497     -7.61240017
  H     14.49005415     14.64932008     -8.78762360
  H     12.85005134     13.35929084     -7.59414946
          69
 Energy    -249.32742391996771     
  O     17.54485352     10.29034589     -9.90025566
  H     17.87502886     10.98866227     -9.31938596
  H     17.88348100      5.41156594    -11.27493719
  O     18.42538944     12.15240685     -8.01640259
  H     18.24019400      9.62908768    -10.02074923
  H     14.82214153      6.10548398     -8.10929714
  O     15.18567818      9.92603576    -11.31164025
  H     18.89334478     12.98102050     -8.07837467
  H     14.71301209      6.54821958     -9.62623206
  O     19.26965098      8.12385616    -10.19110661
  H     18.95974447     11.56726542     -7.44786110
  H     18.18126477      8.25797499    -13.15821737
  O     20.71092088      8.19026403     -7.83802559
  H     14.49713529     10.44314911    -10.87530892
  H     19.61375275      8.11483816    -13.72453291
  O     17.95748711      5.79509142     -9.45433435
  H     16.01587707     10.12499243    -10.85487682
  H     17.34536197      8.87793876     -4.83779216
  O     11.95969538      8.56173562     -9.52959288
  H     19.33857090      8.10323794    -11.15444670
  H     17.78690269      9.64079083     -3.56963904
  O     16.38738989     11.86947494     -5.94634108
  H     18.77106008      7.33339449     -9.93160849
  H     16.01945606      7.80743896    -13.50360801
  O     13.20966791     11.17515667     -9.73096237
  H     20.28000619      8.20903751     -8.70841966
  H     16.01860211      9.19616383    -12.83362308
  O     14.33463852     10.63253682     -7.29541918
  H     21.62556593      7.96335660     -7.99069344
  H     16.68337504      9.25239775     -8.71065154
  O     12.72759747      8.33387422     -6.86821840
  H     17.00219669      5.86340180     -9.31078749
  H     15.89032204      7.91693741     -8.48643744
  O     17.76529632      5.45504359    -12.23371033
  H     18.35584682      5.73599168     -8.57445269
  H     20.09799070      9.63519667     -6.83863567
  O     15.31111559      6.24346399     -8.92951923
  H     12.22492425      9.47871849     -9.66917507
  H     19.13800417     10.12481339     -5.71691301
  O     19.07790575      7.93323656    -12.95738726
  H     12.51740388      8.04361775    -10.12401788
  H     13.64034069      6.94502720     -6.45477811
  O     17.73509366      9.70883163     -4.52000118
  H     16.80502501     11.19636738     -5.39562255
  H     13.67610754      5.50532798     -5.88672468
  O     16.50725278      8.63890846    -13.45300167
  H     17.01857130     12.05894448     -6.65077227
  H     14.33267210      6.85921687    -11.82205706
  O     16.18001661      8.73857619     -8.06873802
  H     12.74939888     12.01045976     -9.73669217
  H     14.43376906      8.25017831    -11.14680664
  O     19.72334428     10.42246520     -6.42452610
  H     13.58146914     11.06588721     -8.83845007
  H     19.58994618      6.80815641     -7.05330010
  O     14.21225823      6.16707048     -6.31467695
  H     14.90013624     11.19316151     -6.74813568
  H     18.22244631      6.51105103     -6.39845555
  O     14.01756405      7.37897163    -11.07212958
  H     14.91135613      9.91006961     -7.58790071
  H     16.61334437      7.99876813     -6.54274900
  O     18.94330245      6.10923813     -6.89949500
  H     13.16572376      9.18993777     -6.79608107
  H     15.89783062      6.93222740     -5.70818679
  O     16.69505390      7.47345957     -5.72909730
  H     12.34418695      8.31940140     -7.75767003
  H     16.14889730      5.75316182    -12.83588776
  O     15.29204586      6.05271769    -13.18913784
  H     18.32866536      6.17639371    -12.53739364
  H     15.01827770      5.40622576    -13.83401728
          69
 Energy    -249.32741901016470     
  O     11.62108129      7.18413513    -14.58066798
  H     11.74531504      8.14576361    -14.68496099
  H     15.07022074     10.96995720    -10.10563908
  O     18.14389418     10.07511911    -11.44240707
  H     10.82396933      6.95426944    -15.04997687
  H     15.23206141      5.87270030    -10.97856947
  O     18.41231713      6.54927110    -11.09633229
  H     17.30027464     10.51466837    -11.27510934
  H     16.66260590      6.39066510    -10.62786666
  O     15.96138964      8.33798614     -8.36360893
  H     18.40235283      9.67706078    -10.60282331
  H     13.79968246      8.23006687    -11.96903102
  O     14.14050802     12.27769152    -13.05027720
  H     18.55054104      5.64421743    -11.41137269
  H     15.19149339      7.89871701    -11.40161284
  O     16.29459649      4.36589537    -15.24478959
  H     18.31814518      7.10660569    -11.88141209
  H     12.84975543     10.21845743    -15.07568806
  O     14.53631632     11.04796286    -15.41470013
  H     15.75683167      7.59178433     -8.94462599
  H     11.79475991     10.35654495    -13.95764881
  O     14.24988674      5.02819162    -12.25692575
  H     16.90638988      8.48985718     -8.47903184
  H     18.68719499      4.58337593    -13.23674986
  O     14.05516619     10.23446726     -8.63665323
  H     13.23056899     12.08142212    -12.79365810
  H     17.71674187      3.66573222    -12.46899473
  O     18.72761892      5.80478964    -14.74341866
  H     14.69034499     11.97590851    -12.31472205
  H     15.30870181      8.64776814    -13.60374780
  O     18.72930934      8.45751753     -9.13590182
  H     17.10716285      4.88404739    -15.19415256
  H     15.35304713      9.47038408    -14.92183421
  O     15.48544750     10.97934280    -10.97537149
  H     15.56443227      5.00036400    -15.24460132
  H     18.24436158      8.90243864    -12.79225537
  O     15.72555365      6.47237443    -10.40408977
  H     14.74521099     11.67615806    -16.10026326
  H     17.31335723      8.32141078    -13.88171671
  O     14.71712909      8.52717615    -11.96306122
  H     14.45751715     11.55241197    -14.58385742
  H     15.88434277      1.99264018    -13.13340350
  O     12.04217601      9.82521153    -14.72543908
  H     14.74492419      4.20725443    -12.37013789
  H     16.09573344      3.35485357    -13.83926923
  O     18.54434322      4.15376889    -12.38337205
  H     14.28939098      5.47631041    -13.11441010
  H     12.63698587      9.68993929     -9.81006712
  O     15.65136197      8.64913253    -14.51309031
  H     13.85608041     10.60940767     -7.78283834
  H     11.94481178      8.62957089    -10.72102134
  O     18.13415757      8.15316632    -13.39802715
  H     14.72715125      9.54518442     -8.48673472
  H     13.34959260      6.50394094    -14.85225405
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  H     19.47949903      5.91312705    -15.32130129
  H     14.78521334      7.08955773    -14.80659980
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  H     18.59064901      6.66175320    -14.30825192
  H     11.92911742      7.11175023    -12.72936084
  O     14.28221503      6.26241266    -14.80170450
  H     18.70318475      7.71162319     -9.75947612
  H     12.81668383      6.28612204    -11.77714439
  O     12.29082759      7.09375990    -11.83312332
  H     19.54261632      8.37213493     -8.64456616
  H     11.64682252     10.72661736    -11.67508423
  O     11.52277305     11.35836286    -12.40551283
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  H     10.74823605     11.87252372    -12.19375495
          69
 Energy    -249.32736622217811     
  O     16.64070474      5.63547446    -12.42895032
  H     17.37054301      6.21353110    -12.16550923
  H     20.76096630      7.07357373    -14.65724570
  O     17.66792569     10.04997089    -11.87982839
  H     15.91908828      5.75462320    -11.79577834
  H     13.65568481     10.24707506    -15.45971734
  O     16.69827537      9.39236339    -15.89939174
  H     17.63348814     10.25261544    -10.93704347
  H     15.16074766     10.51896546    -15.66439526
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  H     15.93619157      6.88314715    -13.58638924
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  H     16.35954935      8.75378100    -15.25411557
  H     14.96254545      7.16032820    -14.76764480
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  H     17.50944213      9.75032965    -15.51199595
  H     10.58713888      7.77436520    -12.81580532
  O     15.07579431      9.94943908    -12.83171712
  H     13.90859091      5.06750370    -15.49535890
  H     11.88896099      6.95805229    -12.98749227
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  H     14.89527671      4.10106743    -14.81533673
  H     18.02240502      8.48875524     -9.01455623
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  H     15.07306130      8.28313633     -8.42681028
  H     18.45570095      7.38408317     -9.99604635
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  H     14.24545285      9.10835983     -9.43413529
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  H     19.34915627      9.17442862    -14.43887267
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  H     19.17241598      7.34573435    -12.67127616
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  H     16.68203521      6.79765527     -8.51640815
  H     16.42609530      9.97296374     -8.95473753
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  H     14.73333028      6.96069440    -16.94961535
  O     17.33886379     10.28297141     -9.09415991
  H     17.54154463      6.38604203    -16.63120471
  H     12.65218622      8.49675469    -11.65351036
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  H     12.05106906      8.52398376    -14.69305071
          69
 Energy    -249.32638271635292     
  O      1.01300700     -0.80552434      4.86824956
  H      0.17475007     -1.26268204      5.06049787
  H     -1.67590119      2.99101758      1.34804885
  O      2.00808863     -0.61342194     -2.61027672
  H      1.44795708     -0.67393077      5.70685292
  H     -2.71215413     -0.27111525      3.80355651
  O     -1.36833488     -2.01657679      5.35953726
  H      1.24395022     -0.18422886     -2.20455440
  H     -3.41867395      0.84583559      4.58674253
  O     -0.08909510      0.29437969     -0.88799906
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  H      0.55731245      0.67718025      3.74852893
  O      3.18682081     -2.86389059      0.11555092
  H     -1.72843570     -2.76731671      4.87627283
  H     -1.14775165      1.70066991     -0.71215270
  O     -3.85002764      2.46943241      3.91682350
  H     -0.47241534     -0.59366546     -0.87074596
  H     -1.68967053      3.04788672     -1.24357683
  O     -4.58804458     -3.39172176      1.98257567
  H      0.59822553      0.31896967     -0.20691453
  H     -1.12757389      0.28265819      2.42339695
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  H      2.09289614     -3.25889700     -1.19814767
  H     -2.42808125     -0.01394079      1.59509929
  O     -5.77145182      1.35829966      2.02518543
  H      1.72413742     -4.15992634     -2.40104466
  H     -0.16939222     -2.79790398     -1.28917352
  O     -5.50433909     -1.00414155      3.33511212
  H      3.62957524     -2.04270812     -0.13249674
  H     -0.83470483     -2.65380559      0.10457930
  O     -1.66488692      3.13414247      2.30055974
  H      2.82410982     -2.71779468      0.99875782
  H      0.93797416     -2.45559101      2.23856911
  O     -3.19635841     -0.09618893      4.62458735
  H     -4.55199508      2.25895559      3.29151750
  H      1.69897334     -1.70236121      3.34570745
  O      0.32671265      1.26818531      3.02086042
  H     -3.10799791      2.79162974      3.38363074
  H      2.75089588      0.25881663      0.45950293
  O     -1.76919170      2.42523527     -0.52544888
  H     -5.32627354     -3.92611829      1.69971443
  H      1.91965543     -0.54342154      1.49190182
  O     -1.79855067     -0.38403026      2.22684025
  H     -4.23780953     -2.96183237      1.18111590
  H     -2.68804167     -4.99259090      4.01769837
  O     -0.90855584     -2.38728987     -0.82460147
  H      4.81291229      0.11709203     -1.17739941
  H     -3.27433658     -3.87180680      3.13106288
  O      1.80129205     -2.07561585      2.46164256
  H      3.37765230     -0.34105894     -1.53757719
  H     -1.25315533     -3.45882398      2.46070804
  O      1.96086590      0.29706800      1.01133730
  H     -6.68107043      1.63638343      1.96330228
  H     -1.14789690     -1.97893064      2.02078209
  O     -2.51043042     -4.11891543      3.67751602
  H     -5.76943518      0.50413058      2.49459368
  H     -3.75378283     -1.18457937     -0.12053186
  O     -0.76450940     -2.86270009      1.88378742
  H     -5.23817657     -1.81939684      2.89768198
  H     -2.78533069     -2.29183889     -0.58663743
  O     -3.66692641     -2.14265773     -0.22395859
  H     -4.77497330     -0.76389960      3.92488433
  H     -4.40891501      0.94741544      0.87543758
  O     -3.66833444      0.58064122      0.37405292
  H     -0.90158742      2.64364352      2.63304692
  H     -3.15855589      1.31080769      0.00238080
          69
 Energy    -249.32632755253300     
  O     15.14780757     11.85114691    -15.24536743
  H     15.25307289     11.70806062    -16.19427582
  H     15.38662839      5.31651943    -16.49573240
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  H     16.03364472     12.02783513    -14.90713815
  H     17.12396920     10.25621184    -17.62944751
  O     18.95775815      8.04457917    -13.03392740
  H     12.13198443      5.38180584    -14.71495006
  H     17.07253477      9.12641756    -16.59786745
  O     17.48632879      6.99999207    -18.46250061
  H     13.44749674      5.64769890    -15.48721428
  H     15.06348419      8.46875601    -15.49599241
  O     14.89980822      6.72787444    -19.23642999
  H     18.50386239      7.21395652    -13.23524535
  H     16.23053068      8.89754058    -14.55831803
  O     16.06430036      8.13688197     -9.73492233
  H     19.08053193      8.04525239    -12.07469294
  H     13.85447581     11.15139817    -14.30189275
  O     14.71473057      6.34133621    -12.58911432
  H     17.52496755      6.47382349    -17.65188020
  H     12.44869068     11.37801892    -13.70127537
  O     16.81407013      9.75639591    -13.00613953
  H     17.68990959      7.90590229    -18.19569250
  H     17.19238753      5.11088096    -10.27178095
  O     17.04026899      5.88439021    -15.92032207
  H     15.84688309      6.82553865    -19.02934016
  H     18.44120098      6.00628105    -10.36731365
  O     15.29093500      5.41275481    -10.05307959
  H     14.84905999      6.36629227    -20.11728433
  H     12.98256563      7.72269701    -15.25707152
  O     19.39571238     10.10260256    -15.09341423
  H     15.43858941      8.56719383    -10.32993761
  H     13.04893347      9.26519968    -14.97176224
  O     14.46970549      5.28892764    -16.80410368
  H     15.76629151      7.22067323     -9.66641004
  H     17.76014617      5.34155560    -12.36246052
  O     17.65745291      9.55105291    -17.24533060
  H     14.09686846      6.12831517    -13.29829623
  H     16.51027174      5.92959225    -13.06091518
  O     16.01444513      8.39297969    -15.35158845
  H     14.59512452      7.27944063    -12.38102467
  H     17.81032473      8.08793887    -10.03850482
  O     13.12677298     10.71785305    -13.81892668
  H     17.59172853      9.18221563    -12.96512575
  H     19.23610826      8.30398463     -9.48364517
  O     18.10578609      5.12766607    -10.58509840
  H     17.11279313     10.62727531    -13.29255418
  H     15.43888227     11.93355503    -18.73478917
  O     13.22346354      8.57983178    -15.62938374
  H     16.67205272      6.76672737    -15.75140780
  H     14.96867265     10.57727451    -18.15752982
  O     17.43414984      5.68589486    -13.20534960
  H     17.33893116      5.57680534    -15.05616551
  H     13.85095689      9.59809888    -12.41814232
  O     18.75415368      7.93061623    -10.21716464
  H     14.62933359      4.81865319     -9.70847234
  H     15.34740815      9.32314622    -12.24412931
  O     15.57678321     11.32573515    -18.01354794
  H     15.02026446      5.64085007    -10.95850666
  H     18.43201538     11.45002656    -14.55205841
  O     14.46947547      9.04348163    -11.93172004
  H     18.95096798      9.84327122    -15.91273493
  H     18.29391985     12.84447834    -13.89494025
  O     17.79235806     12.08808489    -14.18590141
  H     19.41381429      9.33053111    -14.51613938
  H     13.55499203      8.98471011    -17.39974132
  O     13.92889693      9.20549706    -18.26331818
  H     14.47485558      5.72261581    -17.66521616
  H     14.21895451      8.37178105    -18.65354444
          69
 Energy    -249.32601924958499     
  O     12.71637881     10.38826370    -15.39846236
  H     12.01899823     10.89888422    -15.80410117
  H     16.10040287      3.48294910    -15.56612677
  O     16.17940607      5.51720369    -13.08235157
  H     12.32652422      9.95648714    -14.62221931
  H     19.25732058      6.46043850    -15.18578911
  O     18.01712627      9.28707899    -11.50814261
  H     16.99459699      5.77534641    -12.63073815
  H     20.74090912      6.37231690    -14.75080711
  O     17.27749144     10.67168436    -16.19023529
  H     15.43771726      5.69780536    -12.48741356
  H     15.89016652     11.47559686    -15.27017035
  O     13.51357468      5.76929130    -15.87534980
  H     17.17693472      9.67540090    -11.79610132
  H     14.36746235     11.39630768    -14.99088715
  O     14.93063321      8.52235434     -8.72741408
  H     17.99367935      9.28233918    -10.54368048
  H     16.10425404      7.16298176    -13.90844549
  O     14.11823014      6.21758875    -11.40804712
  H     17.89063110     10.30238035    -15.54056552
  H     16.97382158      8.36717721    -14.39931851
  O     15.61448125     10.13584424    -12.55755200
  H     17.15958785      9.97804340    -16.84769315
  H     11.77194869      8.09546988    -13.38135842
  O     16.73420916      8.33988585    -17.86738032
  H     13.75241380      6.64788307    -16.19959647
  H     10.65301490      9.08091026    -12.96826699
  O     15.11169825      5.65362071     -8.85607559
  H     14.33084222      5.25891018    -15.87374112
  H     17.82559711      7.11858368     -9.00667854
  O     18.06700043      6.25636155    -16.41699688
  H     14.36978769      8.77205225     -9.47320728
  H     18.10007944      6.15668635    -10.17700577
  O     16.05113798      4.43584846    -15.57441276
  H     14.86715758      7.56199113     -8.65527954
  H     12.62997812      6.14671026    -14.34659396
  O     19.87665571      6.64575225    -14.45581621
  H     14.36748956      5.91054786    -10.52739687
  H     12.80858533      6.18179324    -12.80352788
  O     15.19012810     11.78499216    -14.67504963
  H     13.96600671      7.17053068    -11.33396039
  H     18.62790562      9.37292700    -13.29272889
  O     16.06808448      8.05314544    -14.27693093
  H     15.48917888     10.88246948    -13.16045328
  H     19.24364024      8.41243982    -14.34640065
  O     11.57012022      9.03821908    -13.22717623
  H     15.68104860      9.35718085    -13.13188475
  H     18.31480741      7.49477687    -11.83423667
  O     17.73809281      6.19714403     -9.28279148
  H     15.84588280      8.35486508    -17.47183664
  H     19.06715522      6.49832730    -12.75785959
  O     12.23233908      6.46461847    -13.52288475
  H     16.61343751      8.38693848    -18.81279360
  H     16.63394043      8.91752887     -8.71603607
  O     18.68405973      9.19151396    -14.24048365
  H     15.00565823      4.98095248     -8.18918798
  H     17.85433855      9.52967690     -7.98712572
  O     18.49191337      6.55414248    -11.98481737
  H     16.06929004      5.76202356     -8.99889624
  H     14.97941372      8.28095441    -15.64076763
  O     17.60378703      9.00726301     -8.74420581
  H     17.37007100      5.61263219    -16.23841074
  H     13.78738450      9.08706130    -16.20886909
  O     14.41295768      8.38629405    -16.42363222
  H     17.66648579      6.95963260    -16.94213149
  H     14.30306764      9.47057513    -11.58861728
  O     13.58324264      8.97010604    -11.17340345
  H     16.09232540      4.72686658    -14.64632050
  H     12.82239993      9.07278852    -11.75479119
          69
 Energy    -249.32541515251256     
  O     14.79714977      8.52157269     -9.68403664
  H     14.85209714      7.56621330     -9.78783423
  H     13.25151052      7.92860956    -15.98109205
  O     15.84094899      5.10184343    -15.89972982
  H     14.30298217      8.82323953    -10.46129684
  H     17.16793097      7.19764205    -18.52831307
  O     16.80243376     10.30325595    -10.31522194
  H     16.10579803      5.72147720    -16.59008123
  H     17.55932578      7.32331852    -17.03460279
  O     18.09761778      9.48501978    -13.85258412
  H     16.60094737      5.02939513    -15.31017666
  H     17.31467918     11.18662398    -14.21632782
  O     10.58381819     10.82071336    -13.62372461
  H     16.10432959      9.71995606     -9.97929048
  H     16.45063926     12.17997219    -13.41980826
  O     17.17158448      6.36272860    -11.97386602
  H     16.36781666     11.03351105    -10.76732655
  H     16.11884771      7.43860189    -13.08172229
  O     11.41146704      8.09411546    -13.21538804
  H     17.20395474      9.11038070    -13.81244623
  H     15.00842291      8.52821437    -13.02870831
  O     15.51938108     12.47999172    -11.73348922
  H     18.48479809      9.29251027    -12.99074629
  H     14.18274789      5.77081714    -11.17358274
  O     14.36024688     11.19706346    -15.57309741
  H     10.88087391     10.69536963    -14.54419561
  H     14.66455683      5.04538577     -9.89805746
  O     13.24909896      4.95485102    -15.11680598
  H      9.72599680     11.23492029    -13.66485637
  H     18.73075869      4.43269426    -13.98329503
  O     14.90548874      8.54763686    -16.16107870
  H     16.45315932      6.12802315    -11.37154939
  H     17.82336528      5.52214240    -13.36583216
  O     12.37158896      7.56873235    -15.78946539
  H     17.68000569      7.09433988    -11.59737243
  H     12.28895126      6.50310337    -12.52116730
  O     16.81628542      7.15771212    -17.64367310
  H     11.70342637      7.92163444    -14.12372028
  H     13.10367365      5.45936484    -13.29831906
  O     16.70266696     11.92697933    -14.31551323
  H     10.96275480      8.94772452    -13.23374570
  H     19.44942373      8.70372601    -10.65601087
  O     15.68990914      8.13480751    -13.59110643
  H     14.65453576     12.33448841    -12.14939145
  H     18.01642070      9.25441416    -10.85375415
  O     14.88958703      5.74688995    -10.50376184
  H     15.48529964     13.34906540    -11.33912315
  H     18.62726684      8.24629452    -15.16245593
  O     18.14129180      5.14898898    -14.20543140
  H     15.20045275     11.56465873    -15.25888144
  H     18.64438358      6.70067937    -15.21390407
  O     12.95058521      5.81024824    -12.41192706
  H     14.56714935     10.29508570    -15.85605228
  H     11.78538253      9.39396218    -16.14998542
  O     18.66812752      8.61210859    -11.19392268
  H     14.18198243      5.00467418    -15.39099345
  H     12.54127701     10.74147973    -16.06458979
  O     18.71986044      7.49279176    -15.76015644
  H     12.92120163      4.11270038    -15.42217354
  H     12.26797133     11.62051900    -13.17471553
  O     11.65916986     10.34708958    -16.06177151
  H     15.20808727      8.31986057    -15.26708658
  H     13.58700838     11.62231328    -13.99663355
  O     13.21434349     11.79776306    -13.11781893
  H     15.52469056      8.14846744    -16.78231190
  H     13.56416284     10.16500361    -12.37812064
  O     13.66317159      9.24781960    -12.09720545
  H     12.51650030      6.62386663    -15.65805896
  H     12.88476475      8.77731833    -12.42292510
          69
 Energy    -249.32516147913952     
  O     13.76616794      0.78808855    -10.67684856
  H     12.86670020      1.00111116    -10.96261866
  H      9.69232575      2.76403885    -14.07516176
  O     11.34955992      1.83882807    -11.63073485
  H     13.92584152      1.29309852     -9.86999983
  H     10.00726339      7.13045679    -11.52781960
  O      9.99087982      6.00135657    -14.71649644
  H     11.12418506      2.47601179    -10.93893271
  H     10.14589347      8.65615535    -11.61854953
  O     16.14608921      3.59587195    -10.54187714
  H     10.58715757      1.83217438    -12.22714614
  H     10.39252803      5.62751938    -12.91712146
  O     10.59970558      3.89512579     -9.95752768
  H     10.70264452      6.66191633    -14.70601077
  H     11.77146127      5.72402768    -12.24547540
  O     13.08613586      3.01101759    -13.48741637
  H     10.35282747      5.18215441    -15.07320568
  H     14.67583849      2.27155599     -7.59476185
  O     13.46673399      5.72996318    -12.90473631
  H     16.00915943      3.02621934    -11.30775331
  H     13.84362299      3.28579489     -8.40719776
  O     13.06438653      8.21108466    -10.09890503
  H     15.69268587      3.15997163     -9.80915209
  H     11.23182449      3.02874649    -16.15199068
  O      7.79547630      6.63092888    -13.17194061
  H     10.67313841      4.50029525    -10.71465828
  H     11.82822641      3.30496045    -14.75565136
  O      7.25725156      4.19047191    -12.17905483
  H      9.68991315      3.96239227     -9.64825517
  H     12.47236945      5.54908529     -8.11740913
  O     11.75429200      9.51763242    -12.08699082
  H     13.94398366      2.59017487    -13.35003818
  H     11.99921416      4.36955978     -8.99244054
  O      9.24301313      2.35366720    -13.32682034
  H     12.49147123      2.64070609    -12.81822945
  H     14.86409380      1.28620597    -11.93036849
  O      9.52851019      7.95875653    -11.36807953
  H     13.94531620      5.79456845    -12.06714694
  H     16.00268855      1.04735455    -12.95354894
  O     10.83222741      5.59147413    -12.05809605
  H     13.42961837      4.79555486    -13.14748376
  H     15.27403205      5.17609473    -10.47525085
  O     14.42491755      2.51174574     -8.48365401
  H     12.58230020      7.94993646     -9.30564541
  H     13.94524107      5.47347492     -9.75177403
  O     11.05168949      3.45733011    -15.31845640
  H     13.73480342      7.52998299    -10.23592519
  H      7.19880805      4.03070913     -8.96786715
  O     12.76610663      4.71928435     -8.51344030
  H      8.21168306      7.24928749    -12.55814870
  H      7.64109770      4.34646198    -10.41362353
  O     15.40966556      1.71358997    -12.61687540
  H      8.44431371      6.48324487    -13.87628097
  H     11.62371802      7.70304983     -6.98330155
  O     14.57968886      5.84409800    -10.37961157
  H      7.41518608      5.08275574    -12.53754387
  H     10.75643751      7.10196920     -8.11355739
  O      7.89282272      4.43843958     -9.48042442
  H      6.42561843      3.89623177    -12.54354991
  H     12.72290586      7.09643399    -13.94414139
  O     11.66984027      7.19319968     -7.78788953
  H     12.02155949     10.43284169    -12.08750887
  H     11.96946898      8.40548192    -13.65710772
  O     12.09448089      7.72415894    -14.32824405
  H     12.26725998      9.07759592    -11.38498327
  H      9.19173898      7.43914353     -9.64887657
  O      9.16553928      6.96926680     -8.80246977
  H      8.62600819      3.00569914    -12.97633959
  H      8.67286582      6.15839958     -8.96527409
          69
 Energy    -249.32487201108893     
  O     15.31626818     10.37316288    -16.08993207
  H     15.37192567     10.09384622    -17.01078688
  H     19.54049155      5.65670044    -13.14088766
  O     16.93387260      4.77867895    -14.24928467
  H     14.46535439     10.08035334    -15.73087214
  H     19.05042875     10.36196303    -16.64881899
  O     15.57104452     11.59105040     -9.65662714
  H     17.66125998      4.72670627    -13.61574986
  H     20.00731885     11.56813505    -16.52781582
  O     19.47994721      9.27061234    -13.91273630
  H     16.27674247      5.34504417    -13.83037607
  H     17.75808564      8.85573360    -14.43661486
  O     15.26592861      6.80310004    -17.62447244
  H     15.71653458     11.59536955    -10.61371530
  H     16.42693236      9.21664120    -15.19550273
  O     16.28065456      8.09481810     -8.88437921
  H     14.87180355     10.94441537     -9.50364826
  H     13.27418267      9.34084533    -13.92228720
  O     15.32554301      6.99521389    -13.19829612
  H     19.26305243      9.57148508    -13.01996871
  H     13.07286160      8.37563578    -15.10871751
  O     16.18426224     11.01985950    -12.32971474
  H     19.56112230     10.02603201    -14.50824558
  H     16.64644616      6.94112632    -11.84758527
  O     20.05298362      6.62117906    -14.48989333
  H     16.12384720      6.50874486    -17.29419719
  H     18.03427907      6.32885264    -11.53938028
  O     13.56873392      6.48974870    -15.33200808
  H     14.64003444      6.67199825    -16.90232863
  H     17.07585937     10.96658649     -9.01786352
  O     17.78372985      6.43598059    -16.31830536
  H     16.89068659      8.82244076     -8.70969399
  H     18.30664574     10.97860831     -8.07785356
  O     19.12399681      5.13596600    -12.43011911
  H     16.67393759      7.58664765     -9.60535058
  H     18.11338072      8.68244022    -11.33495431
  O     19.35680114     11.06257625    -16.04708840
  H     14.78746363      7.66575521    -12.75101186
  H     18.40787871      9.94375133    -10.48170616
  O     16.91227241      8.51136857    -14.74780219
  H     15.93210552      7.49680958    -13.77160642
  H     13.23747099      9.04798066     -8.72566663
  O     13.09908723      9.30977802    -14.87247849
  H     16.96287436     10.52960840    -12.03538581
  H     14.69463947      8.78535579     -9.17723427
  O     17.39822214      6.99378363    -11.24494149
  H     16.44099354     11.49560299    -13.13212561
  H     18.45545276      8.10045957    -17.43423625
  O     17.88188169     10.47839512     -8.76887781
  H     19.98959577      7.56348281    -14.27507636
  H     17.58229716      9.17766712    -18.09229838
  O     18.42317937      9.59862819    -11.38288057
  H     19.47091390      6.48685426    -15.24545321
  H     13.85786269      9.21930183    -11.25827585
  O     13.87626950      9.26486120     -9.39920622
  H     13.02002408      5.72236169    -15.18310142
  H     14.78918668      9.87021838    -12.31270335
  O     18.44175908      9.03149791    -17.67502433
  H     14.14310330      6.57381509    -14.55592098
  H     17.82902893     11.88665456    -15.15807612
  O     14.08143813      9.21712147    -12.19659747
  H     17.47863086      7.22504621    -15.83966157
  H     16.31957572     11.64201158    -15.27099677
  O     16.99007096     12.08406774    -14.72844817
  H     17.53775935      5.69342269    -15.74596274
  H     15.39515553      9.38103117    -19.50458855
  O     15.76410461      9.25671864    -18.63460331
  H     19.77809621      4.51503910    -12.12144756
  H     15.51568276      8.35975001    -18.34537067
          69
 Energy    -249.32469520792057     
  O     16.26931838     11.18476138    -10.78999717
  H     17.07776193     11.13861300    -11.31141664
  H     17.14093505      6.30678048    -12.95168996
  O     12.47274413     12.19249978    -10.71139346
  H     15.52905751     10.95164145    -11.37071918
  H     17.21540545      8.27836520     -9.20316214
  O     14.17137934      7.63119913     -9.04712056
  H     12.97628328     11.74936801    -11.40550724
  H     17.13867889      6.76680627     -9.56639656
  O     15.87288473      5.37450861     -9.39246635
  H     13.13634005     12.55464237    -10.10666241
  H     19.09710089      8.06820282    -10.72689380
  O     12.51616680      9.41290910     -7.57403197
  H     14.64289345      6.79415195     -9.12170837
  H     19.41917904      9.20832168    -11.71525035
  O     10.89560764     10.22653001     -9.76726806
  H     14.84358283      8.31409005     -8.90645950
  H     13.75265594     10.53400856     -7.04952221
  O     14.64174841     12.87538814     -9.10973254
  H     15.70612127      5.01772831    -10.28233592
  H     14.47984100     11.30738679     -5.92332900
  O     14.47072422     10.18211722    -15.11165092
  H     15.93773703      4.62521522     -8.80596492
  H     13.14102011      8.12206297    -10.43740691
  O     17.15121664      7.01556246    -15.73779011
  H     12.96785437      8.65016907     -7.95732646
  H     11.88404581      8.96747848    -10.76124946
  O     14.07834411     10.51498381    -12.34600086
  H     11.88735086      9.71059727     -8.24365127
  H     16.24578908      9.86548932    -14.65247498
  O     16.31132762      7.77377930    -12.23886878
  H      9.97574354     10.47186498     -9.80830653
  H     17.24572740      8.70730859    -14.89401858
  O     17.55628917      5.58221348    -13.44317001
  H     11.40807792     10.99608129    -10.07768066
  H     20.08979166      6.90405072    -12.36258208
  O     17.61181359      7.58741367     -9.75344740
  H     15.31101715     12.45397793     -9.66349563
  H     21.01818515      5.69959341    -12.59229767
  O     19.72368571      8.34771834    -11.40951524
  H     14.61200932     12.36222999     -8.29309121
  H     15.22584004      7.23059057    -15.66900549
  O     14.53009535     11.08546238     -6.84892526
  H     14.05905630     10.67323998    -15.81715902
  H     14.06380930      7.11558879    -14.65085136
  O     12.58893858      8.44741307    -11.16498436
  H     14.32609007      9.23622402    -15.29830741
  H     14.71974144      5.06440871    -12.29285957
  O     17.09809671      9.50653352    -14.37168166
  H     17.32284712      6.40911183    -14.99757814
  H     16.17459562      4.60227733    -12.50626930
  O     20.18059063      6.07065702    -12.85589332
  H     17.64491642      6.68395719    -16.48341696
  H     18.11858327     10.39694036    -13.21969009
  O     14.32417690      7.52234774    -15.48970625
  H     14.12142132     10.43032081    -13.30499140
  H     19.11722557     11.49542015    -12.78589156
  O     15.41018677      4.49505207    -11.92607874
  H     13.59713845      9.74979902    -12.00084649
  H     14.72075897      7.06239655    -12.62306675
  O     18.55841849     10.79754875    -12.45102163
  H     16.59387822      8.48601619    -12.82271358
  H     13.20761869      7.15841836    -12.36896922
  O     13.86935479      6.66405726    -12.86840946
  H     16.77537921      7.85356249    -11.39652617
  H     15.71108248     10.08383334     -7.87394982
  O     16.12784638      9.57255497     -8.57765438
  H     18.50473547      5.62935475    -13.24941338
  H     16.19663125     10.15743587     -9.34804852
          69
 Energy    -249.32451274084542     
  O     16.38991205      5.37156254    -16.40910536
  H     16.37843201      6.33728177    -16.39600323
  H     15.83105743     11.52799484    -16.77802166
  O     18.54683393      6.68991780     -9.91516647
  H     15.46771063      5.10368243    -16.30750844
  H     16.33155698      9.08490272    -11.16382943
  O     13.37884899     11.03897256     -9.87470030
  H     19.39793660      6.36315123     -9.63245458
  H     15.23767070      9.73666318    -12.06476959
  O     17.75990514      3.92797373    -14.55982486
  H     18.38343142      6.31119819    -10.79507557
  H     13.04870623      4.14362534    -16.05519964
  O     12.49766700      8.27483274     -9.70362904
  H     12.81617352     11.77338191     -9.64028157
  H     14.11536548      4.17601463    -14.93530402
  O     16.02688165      5.79249974     -8.86912215
  H     13.67793489     11.19981550    -10.78408799
  H     15.19539604      9.09999112     -8.07349288
  O     13.66753209      7.12054109    -11.90425416
  H     17.33862996      4.46242361    -15.25737294
  H     14.87756888     10.37311814     -8.87191568
  O     18.49882554     10.55743246    -12.52292781
  H     18.37995410      3.34918944    -14.99526372
  H     16.16409805      5.26701630    -11.80346772
  O     14.31975778      7.49257740     -7.64603172
  H     13.03572078      7.95822295     -8.96615771
  H     14.66603151      5.65537574    -11.61351226
  O     15.98622543      8.11067116    -15.93799334
  H     12.69209231      9.21677921     -9.77533299
  H     17.05789572     13.09591850    -13.66677271
  O     17.88150450      5.74727898    -12.42505283
  H     16.91597022      6.09589620     -9.08380711
  H     17.38815584     11.63536025    -13.28685541
  O     15.72585637     10.93525038    -16.03701871
  H     15.69844689      5.36703506     -9.67234792
  H     18.05727269      8.52827677     -9.89612761
  O     15.70231890      8.91194217    -11.87667033
  H     13.09256414      7.41496466    -11.18485316
  H     17.07492644      9.63120305     -9.36382223
  O     13.70918848      4.69901826    -15.64995100
  H     14.43602511      7.71243324    -11.87351540
  H     13.84803018     10.92569834    -13.18360655
  O     15.59503355      9.90422899     -8.42923640
  H     18.35324314     10.30512189    -11.60077608
  H     15.12333737     11.73936761    -12.81198557
  O     15.31652709      4.95387151    -11.45877503
  H     18.42922521      9.73505101    -13.02674872
  H     13.53036390      6.45925360    -15.04021716
  O     16.72954332     12.20241454    -13.72774344
  H     14.10746328      7.14480882     -6.78408333
  H     13.55710511      7.23306784    -13.69842491
  O     17.72933396      9.42255318    -10.04989167
  H     14.92282589      6.85218211     -8.06368615
  H     15.98697233      3.35374647    -13.98869653
  O     14.35348022     11.29355326    -12.44048676
  H     15.94274590      9.05992462    -16.09927488
  H     15.02978508      3.76887572    -12.86130474
  O     13.61965341      7.34132826    -14.65889881
  H     15.16816086      7.86597913    -15.47761122
  H     13.24528215      9.19656117    -14.71652855
  O     15.05866135      3.33943506    -13.72747795
  H     17.85168326      6.58874435    -12.90508603
  H     13.99116496     10.42316342    -15.28292631
  O     13.28863806     10.16113087    -14.67632378
  H     17.94910864      5.05464101    -13.09392872
  H     17.18102857      8.10230178    -14.55900187
  O     17.60577868      8.16161857    -13.69446504
  H     16.11741941     11.37806515    -15.26856775
  H     16.90698051      8.43607803    -13.07825744
          69
 Energy    -249.32334749085842     
  O     17.59965956      8.11538518    -16.04888522
  H     18.14717555      8.15146074    -15.25718753
  H     17.58391530      9.56876993    -17.09951401
  O     15.09543014     10.09746163    -11.23858319
  H     16.71662722      7.85913114    -15.75212915
  H     14.83331816     11.30435638    -18.87506218
  O     18.28816143     15.62228575    -13.88179048
  H     15.64686773      9.44812545    -11.69533961
  H     15.99178605     11.03315197    -17.88168507
  O     15.02915337      7.79548373    -14.89899975
  H     15.58371444     10.93210988    -11.19363613
  H     18.67614500     14.12971257    -12.80094815
  O     13.28277572      8.60499869     -9.85253046
  H     17.31768469     15.56905473    -13.94380152
  H     19.03856800     12.62331236    -12.82591219
  O     14.60348163      6.43970531    -11.22340715
  H     18.50042348     16.53201815    -13.69009990
  H     18.11544278      8.27235967    -13.05186025
  O     16.51440004     11.64333447    -14.21811094
  H     14.71769364      8.67945233    -15.14296604
  H     19.57014891      7.76227541    -13.14977798
  O     13.21267815     11.20204884    -13.03169709
  H     14.27382367      7.31284970    -14.54142762
  H     12.17927210      6.00934602    -13.80502342
  O     16.43851691      8.01724832    -12.52774919
  H     13.95207176      9.19332104    -10.24486765
  H     12.43563319      7.38418842    -13.14374606
  O     19.23534536     11.16041640    -14.04581721
  H     13.21077429      8.84359757     -8.93224217
  H     13.55355319     12.96698340    -12.68679795
  O     14.39333489     10.42492908    -15.42498270
  H     14.02163321      6.32810941    -11.98619998
  H     13.14559387     14.26376013    -11.96055820
  O     17.54987792     10.40900542    -17.58089783
  H     14.13027463      7.03124499    -10.62539431
  H     18.69166363     14.73472609    -15.52514588
  O     15.09286204     11.40697128    -17.96442742
  H     16.35872274     11.96831806    -13.32402473
  H     17.72341401     14.02015467    -16.47708688
  O     18.72214411     13.33511784    -12.25424792
  H     17.45392477     11.42388022    -14.26347316
  H     15.56445933     13.20441376    -11.70040267
  O     18.96796835      8.41599930    -13.49687417
  H     13.84734710     10.78711161    -12.42847688
  H     17.11872691     12.90891784    -11.66218322
  O     12.87186665      6.60689763    -13.53553544
  H     13.48112723     10.96007304    -13.92976935
  H     16.18769233     12.87887345    -15.53455299
  O     13.86658983     13.84912340    -12.42890279
  H     15.96506227      7.38050006    -11.97273514
  H     15.57535185     12.92644195    -16.94962373
  O     18.66138187     14.20459649    -16.33014582
  H     15.99977988      7.98698537    -13.39097246
  H     12.15792782      8.71915060    -11.38662942
  O     16.23431990     12.53476377    -11.52449073
  H     19.25760419     10.21368902    -13.85620041
  H     12.08734358      9.66643896    -12.59943526
  O     15.95726244     13.48015674    -16.25975748
  H     19.57192646     11.30031704    -14.94085339
  H     14.95584325     14.88101075    -13.60951249
  O     11.82371186      8.79173982    -12.29051373
  H     14.44350192     10.71315668    -16.34394023
  H     15.59057584     14.78716756    -15.01037049
  O     15.60017234     15.30089239    -14.18985824
  H     15.19016099     10.77509644    -14.99240247
  H     19.50590468     12.72470647    -16.58984924
  O     19.88432743     11.83095188    -16.68318014
  H     18.35791739     10.88254680    -17.35902903
  H     20.68054517     11.92001917    -17.19959145
          69
 Energy    -249.32325395671364     
  O     15.30975097      9.36990759    -12.28942114
  H     15.94950183      9.32947955    -11.56610709
  H     11.18845176      7.63526864     -8.80193122
  O     15.99932894      4.63795672    -10.95753545
  H     14.62368621     10.00243992    -12.02686224
  H     12.40943916      7.94542102    -12.28591353
  O     13.41628349      5.50882442    -10.40945783
  H     16.03958079      4.35537280    -11.88009174
  H     13.95824132      8.05087211    -12.29270257
  O     18.04588047      6.34924728    -13.52129125
  H     16.63768202      5.35925416    -10.86772956
  H     18.17638495      6.54252172    -11.77016022
  O     16.87783683      3.99723428     -8.34682614
  H     14.25932818      5.06909367    -10.58954152
  H     17.75542072      7.48147737    -10.58716017
  O     16.36716258      8.39440700    -14.60807665
  H     13.24901061      6.11074126    -11.15049124
  H     16.08847853      3.45299739    -14.31710485
  O     17.21306567      9.72337464     -7.41499996
  H     17.56695127      7.07323466    -13.94437312
  H     15.50375452      4.86134682    -14.05003054
  O     15.87613728      6.08819016     -6.87135059
  H     17.51932595      5.55598674    -13.67908333
  H     14.17415566      8.88050764     -6.04113444
  O     16.90648458      8.97123256    -10.05919053
  H     17.77059304      4.35722959     -8.40654363
  H     14.41443345     10.19761758     -5.27142535
  O     14.87591372      7.47523604     -9.09747290
  H     16.52564205      4.02592694     -9.24647690
  H     11.33778899      5.20929607     -7.91043155
  O     13.45459828      9.83099860     -8.66185082
  H     16.55722449      9.09942289    -15.22145578
  H     12.37020804      5.71390859     -8.93844686
  O     11.03894323      8.50881726     -9.18125839
  H     16.00210527      8.81123600    -13.80824697
  H     12.40654104     10.38012135    -11.55473092
  O     13.22155622      7.43037979    -12.37822433
  H     17.66922691      8.94744195     -7.06818967
  H     13.32644418     10.63910418    -10.34937450
  O     18.06332896      6.59202682    -10.80947822
  H     16.36723673      9.76714833     -6.95260509
  H     18.80748194      6.69311128     -7.27006516
  O     16.13817558      4.19729542    -13.72383384
  H     16.11822870      5.26247115     -7.31586092
  H     19.04162548      7.17345677     -5.82149132
  O     14.60576332      9.75169414     -6.09258174
  H     16.70311566      6.52034234     -6.62794574
  H     14.30341882      6.72258206     -6.18270698
  O     11.85222518      5.97399799     -8.15929486
  H     16.16445242      8.40440999     -9.78874382
  H     12.87569754      6.88743628     -6.72069268
  O     13.22697927     10.81552787    -11.29580152
  H     17.15229258      9.43336857     -9.24734488
  H     10.12435030      9.21582759    -12.14651510
  O     18.43941638      7.24164375     -6.55914781
  H     15.20207801      7.04643172     -8.29534434
  H     10.92616032      8.83209598    -10.87827901
  O     13.49301041      7.24157645     -6.07143652
  H     14.36806401      6.81752283     -9.58501278
  H     20.16086630      5.23198437     -8.87868577
  O     11.00467921      9.03879750    -11.82768471
  H     13.91849430      9.00541942     -8.86761328
  H     18.91494694      5.94934212     -9.44704548
  O     19.31027571      5.58717407     -8.63364457
  H     13.76452022     10.07002598     -7.78185498
  H     15.12542077      6.94969686    -14.74090790
  O     14.53279081      6.21357557    -14.54161132
  H     11.78521092      9.05292483     -8.89271273
  H     13.93191165      6.54819372    -13.86264182
          69
 Energy    -249.32306705267561     
  O     10.76223096     11.60132168    -10.40556258
  H      9.92462309     12.03555916    -10.26404236
  H     15.70329748     12.58044962    -15.76783677
  O     14.70139746      9.51463427    -15.28539967
  H     11.01850241     11.77941521    -11.32787502
  H     16.94821492      9.79197631    -10.03758274
  O     10.86320831      8.77391229    -11.07565009
  H     14.86541543     10.08405122    -16.04623383
  H     15.88263717      8.68645464    -10.21310238
  O     13.88743855      7.12786235    -13.89515663
  H     15.30483915      9.81593618    -14.59168633
  H     14.31783688      8.96482516    -11.54284182
  O     13.31698934     11.87928794     -9.24492035
  H     10.73393921      9.68912708    -10.81141761
  H     14.46901423      7.59445487    -12.23987788
  O     14.97423890     11.61891640    -17.21392269
  H     11.46109742      8.39170431    -10.41538943
  H     14.30896762     15.05974587    -11.30981646
  O     11.08697280      7.77155207    -13.57444423
  H     12.93324133      7.25643872    -13.82171497
  H     15.13773009     15.45461203    -12.54229613
  O     12.78056344      7.85472936     -9.32517151
  H     14.20477406      7.80418517    -14.50613172
  H     17.74276295     11.82574509    -11.02008961
  O     13.98702851     10.78542299    -11.74580859
  H     13.59062676     11.16276195     -8.65544525
  H     18.98406924     10.90000412    -11.03653621
  O     17.13318102     13.44559837    -10.93618608
  H     12.39322679     11.74799134     -9.49649215
  H     14.13511607     13.46779199    -14.42052580
  O     11.71303816     11.90047270    -12.94004480
  H     14.05430695     11.90401320    -17.06443679
  H     13.44835470     14.47573985    -13.48418424
  O     15.88545958     12.94341199    -14.89314402
  H     15.11741233     11.62756140    -18.15619218
  H     14.19080314     13.39401454     -9.47424301
  O     16.33134880      9.23375943     -9.55195183
  H     10.40514372      7.11442014    -13.68517557
  H     14.67948860     14.71350812     -8.83985676
  O     14.62941520      8.05856060    -11.40786872
  H     10.99682284      8.11648669    -12.66758212
  H     16.97076874     10.68400449    -12.67702323
  O     14.23880214     15.44973595    -12.18955743
  H     13.20376360      8.43359566     -8.68315082
  H     15.43564566     10.81202550    -12.72122747
  O     18.03619526     10.90411402    -11.13964510
  H     13.43532286      7.73703727    -10.02917642
  H     12.56494808     13.00126300    -15.78155560
  O     13.26867455     13.80642910    -14.16042236
  H     13.20752803     11.09848086    -12.21972237
  H     12.10024694     11.55884004    -16.07131857
  O     14.70484938     14.20032244     -9.64428504
  H     13.91495523     11.13765471    -10.85105199
  H     14.62763386      9.55919652     -6.90019136
  O     16.22495995     10.75077367    -13.28304754
  H     17.12336898     13.99323359    -11.73052512
  H     15.12192695      9.58075952     -8.36695563
  O     12.46715727     12.35017825    -16.48828257
  H     16.34084569     13.68335797    -10.43985496
  H     17.41823410     15.57974595    -13.79757817
  O     14.35728695      9.76646512     -7.79044055
  H     11.65915003     11.22612312    -13.63171623
  H     16.55449780     14.30832821    -13.95862029
  O     16.84398205     14.98412624    -13.32286454
  H     12.19739110     12.64943338    -13.31596825
  H     12.89876627      9.83777356    -15.03102892
  O     11.95414986     10.02892873    -14.94038004
  H     16.07117859     12.18931045    -14.31233388
  H     11.54840915      9.23444866    -14.56934576
          69
 Ord_Energy   -249.322586    
 O   -4.07336664      0.765748858       5.90242910    
 H   -3.88626599     -0.172164038       5.75304508    
 H   -4.55616379       1.06003416       5.12075329    
 O   0.757554770       2.97427034       5.07088804    
 H   0.795747221       3.73591566       5.64384842    
 H  -0.100311346       2.54483867       5.23263550    
 O    1.40425849      -1.81190288       1.88894355    
 H   0.584462762      -1.79888368       2.39876604    
 H    1.63120365     -0.891789615       1.70233810    
 O  -0.163083687      -4.70154619       3.58506489    
 H  -0.991626382      -5.09698582       3.90158081    
 H   0.496951550      -4.75021029       4.28486490    
 O   -4.83066845      -1.37214351       2.79864645    
 H   -4.05699730      -1.27230918       2.22413373    
 H   -4.48081160      -1.60140467       3.67364144    
 O   -2.35463047      -3.48160219       1.54803498E-02
 H   -1.45615888      -3.75803876      0.271773100    
 H   -2.51099181      -3.83126521     -0.857353747    
 O   0.188543350       2.65474057       2.25510836    
 H  -0.733475029       2.36623669       2.23376656    
 H   0.373721510       2.92955494       3.16126919    
 O  -0.944207251      -2.05379653       3.58054042    
 H  -0.721740842      -2.99617839       3.61436176    
 H  -0.528266072      -1.60261941       4.32860565    
 O   -2.38068247      -1.08614874       1.44960892    
 H   -1.87715232      -1.43203318       2.20299172    
 H   -2.38503027      -1.79305649      0.792144418    
 O   -1.57736635       1.55960095       5.18463993    
 H   -1.76439977       1.50653398       4.23719501    
 H   -2.42194319       1.38821542       5.62457752    
 O    6.26082197E-02 -0.624198914       5.69231415    
 H  -0.564642608      0.109158911       5.63128471    
 H   0.908643723     -0.288843602       5.36868477    
 O    1.78940904      -4.36424923       5.60449076    
 H    2.22183347      -3.60485864       5.17514849    
 H    2.48524022      -4.94417095       5.90244818    
 O   0.123277031      -4.12083435      0.882789373    
 H    5.16337082E-02  -4.50838947       1.76734507    
 H   0.717070460      -3.36766315      0.989702761    
 O   -5.12003088       1.33437085       3.25118732    
 H   -5.94973278       1.70838118       2.96545482    
 H   -5.15934849      0.383402377       3.05294275    
 O   -3.40495706      -1.87058258       5.12189770    
 H   -2.59733820      -1.96795964       4.60392761    
 H   -3.38858223      -2.58409595       5.77299023    
 O   -2.37330842       1.48957515       2.48998404    
 H   -3.30733919       1.62019575       2.69533777    
 H   -2.32010627      0.651043355       2.00944352    
 O   -2.91823220      -3.97372317       6.85380840    
 H   -1.98880446      -3.69812942       6.95685291    
 H   -3.21164322      -4.28348446       7.70600653    
 O   -3.98132277      -4.16087389       2.31633186    
 H   -4.50187349      -3.36008787       2.43050742    
 H   -3.46303892      -4.02223539       1.51418114    
 O    2.84386015      -2.22560096       4.28824377    
 H    2.90112376      -1.30304682       4.55705404    
 H    2.47359848      -2.20661235       3.39505434    
 O  -0.356828719      -3.10076427       6.97651291    
 H   0.382046819      -3.60439491       6.61396027    
 H  -0.208937153      -2.18762136       6.69852638    
 O    2.31681657      0.624257505       4.57058144    
 H    2.35213041      0.669247508       3.60569000    
 H    1.95008731       1.47335410       4.84908962    
 O   -2.61878490      -5.45129728       4.39378643    
 H   -3.18180966      -5.05160046       3.71385074    
 H   -2.84325814      -5.03710604       5.23403263    
 O    2.14737630      0.875448525       1.72755039    
 H    2.79156590       1.26325536       1.14086890    
 H    1.42592108       1.52225804       1.82164466    
          69
 Energy    -249.32245602918837     
  O     11.98750088      9.99602695    -10.38440048
  H     11.73433794     10.87233116    -10.10540442
  H     13.85902322      3.32454644    -10.99141560
  O     12.45834364      5.45179022     -8.83694238
  H     11.95907931      9.99167438    -11.35959273
  H     15.42627092      6.20046469    -14.46942749
  O     16.76855024      5.28430711    -13.71925659
  H     11.81323214      6.07697703     -9.18815059
  H     14.66660227      7.56762767    -14.39856200
  O     12.63878409      5.24851316    -15.99041473
  H     12.51487916      4.72918215     -9.47688959
  H     13.80039755      6.20726977    -13.16163380
  O     15.60989157      2.94538933    -11.17741094
  H     16.61427373      4.35143105    -13.91357204
  H     12.45842342      6.54395343    -12.46545478
  O     17.49177605      9.74322675    -11.12649304
  H     16.79420564      5.36151694    -12.75377673
  H      9.92989864      7.70658947     -9.33318568
  O     14.76405802      9.15324721    -13.52899501
  H     12.55878477      5.49688405    -16.90808199
  H     11.16042871      8.37653670     -9.97742362
  O     10.47054336      4.96633115    -14.12180765
  H     13.34123665      5.80349116    -15.61145447
  H     18.03691176      6.65499103    -13.89858544
  O     18.94009392      7.45477794    -10.90422164
  H     15.79371245      2.72460636    -12.09860433
  H     18.85714542      7.39325538    -12.82606033
  O     13.46744367      2.79990836    -14.79893920
  H     16.16822562      3.70692303    -10.97545185
  H     14.02453859      6.27448736     -9.36725013
  O     11.35237208      2.52805983    -12.90589904
  H     17.50001918      9.95515805    -12.06783523
  H     14.21795209      6.52211624    -10.86915984
  O     12.96334765      3.68904099    -11.05303484
  H     16.56035609      9.69890050    -10.87192961
  H     16.43311263      1.83523685    -14.42370087
  O     14.61685201      6.66153991    -14.73483089
  H     14.75981691      9.14656143    -12.56142034
  H     15.11706753      2.64059141    -14.30828970
  O     13.31549388      6.11869072    -12.33398403
  H     15.62687663      9.49922385    -13.79145098
  H     17.68480946      6.07222241    -10.83823051
  O     10.68577364      7.53476284     -9.89162735
  H     11.13490483      5.07287986    -14.81472959
  H     16.17880963      5.88847405    -10.51517749
  O     18.58039091      7.43972126    -13.74996601
  H     10.65496213      4.11418560    -13.70869551
  H     17.85607892      9.00695068    -13.99501057
  O     14.63789346      6.66245008    -10.00480138
  H     19.70876861      7.59315428    -10.35750892
  H     17.90870362     10.42437432    -14.61520312
  O     16.04215649      2.59804081    -14.00638411
  H     18.43727583      8.28906257    -10.89919867
  H     13.87388688      9.63250455    -10.49008417
  O     16.93881724      5.46964157    -10.94486956
  H     12.74561105      2.60492635    -14.18910166
  H     14.78028772      8.39116360    -10.34744743
  O     17.42260867      9.87970857    -14.00243664
  H     13.19286295      3.58030320    -15.29523368
  H     12.90510403      9.61638932    -13.41303063
  O     14.75075054      9.29423125    -10.69904716
  H     10.88337472      1.76609896    -12.57661069
  H     11.54932071      8.91182894    -13.12760758
  O     12.01422975      9.75979799    -13.07074900
  H     11.88517222      2.87210848    -12.16768250
  H     10.55760890      7.21732083    -11.79505723
  O     10.81834536      7.27083176    -12.72197904
  H     13.05055649      4.51641626    -11.54976014
  H     10.53670423      6.46558592    -13.18352764
          69
 Energy    -249.32198982500989     
  O     17.81762612      9.46067518    -11.39351216
  H     17.07864609      9.16614524    -10.83715869
  H     11.71065477      9.00040176     -9.48739710
  O     13.27524875      5.89980436     -8.25138607
  H     18.11677574     10.29655964    -11.01643772
  H     19.59969834      4.71843601    -11.43256337
  O     11.64735210      7.40311825    -10.07843823
  H     13.14018551      5.03845997     -7.86457314
  H     18.65962079      4.57703291    -10.21736090
  O     16.54124146      8.16384228    -13.46704921
  H     14.06992553      5.83608111     -8.80652527
  H     15.40883394      5.76222949    -10.80962636
  O     19.64019527      7.65505828    -10.37969475
  H     12.10483409      6.79170001     -9.49076076
  H     15.52379533      6.96342503     -9.84872643
  O     19.58752059      9.51290693     -8.28025667
  H     12.03420687      7.28645557    -10.95940738
  H     19.93608455      6.16497439    -13.08834610
  O     18.08212660      5.91690021     -8.85397478
  H     15.73620572      8.68853907    -13.55785916
  H     21.44935054      5.91391461    -12.87423779
  O     12.91809653      7.20175024    -12.51514995
  H     17.08637281      8.64309853    -12.82607235
  H     17.89338058      6.96281594    -14.07966695
  O     15.85116817     11.80267984     -8.98451829
  H     19.03960592      8.26757019    -10.82931111
  H     18.09898641      5.43221201    -14.01297759
  O     14.15609523      9.70388037    -13.27146874
  H     20.10073076      7.15427561    -11.06315788
  H     15.84951222      8.96841342     -8.93371066
  O     14.00183671     10.69669855    -10.70797703
  H     19.09787812      9.01721811     -7.61519308
  H     15.02371674      9.25833309    -10.20839960
  O     11.86596830      9.88540472     -9.10616572
  H     19.80625952      8.86596149     -8.96570474
  H     19.25648301     12.30292455     -9.77356034
  O     18.90076287      4.16819741    -11.05557884
  H     17.18015579      5.88389405     -9.20496760
  H     18.96944378     10.91807398     -9.14918306
  O     15.48912039      5.99253671     -9.87512925
  H     18.59747079      6.52361078     -9.40785778
  H     12.87992563      9.05136510     -7.68123312
  O     20.62308652      6.02355874    -12.41204008
  H     13.64893999      6.57704475    -12.60341489
  H     13.35745010      7.61592761     -7.39117054
  O     18.56028822      6.26878695    -14.15403017
  H     13.25352906      8.04493077    -12.84001173
  H     15.79103910      6.56869811    -12.90169797
  O     15.69872251      8.67307981     -9.84257483
  H     15.86041313     11.18222483     -8.24270476
  H     15.91040204      5.02024171    -12.89634214
  O     18.61625262     11.59661927     -9.75224015
  H     16.77053490     11.86472038     -9.26927568
  H     18.28677863      7.25289686     -5.88538510
  O     13.43688182      8.52949821     -7.09066800
  H     13.75807029     10.30903519    -13.89291953
  H     18.02120927      6.98973710     -7.38202030
  O     15.34768715      5.75446646    -12.62237519
  H     14.10071241     10.12840973    -12.39878546
  H     15.07112136      9.20319862     -7.04230115
  O     18.00476319      7.67444172     -6.69380141
  H     14.61381953     11.21441668    -10.16125758
  H     16.61042947      8.94141331     -6.90408620
  O     15.95258895      9.56222430     -7.23719028
  H     13.21710647     10.50904259    -10.17492064
  H     17.83269239      3.89130797    -12.42371373
  O     17.29906004      3.85735880    -13.23763754
  H     11.01049851     10.25842620     -8.91199156
  H     17.31859446      2.95520544    -13.54474458
          69
 Energy    -249.32161926263132     
  O     11.52492834      9.29131379    -10.35979305
  H     12.24239569      9.79925445     -9.94010031
  H     10.00585909     10.28226297    -16.00539165
  O     15.12164602     10.84631973    -12.97855367
  H     10.99997785      8.92260147     -9.65435569
  H     12.66362434     13.65943254    -15.51192326
  O     16.14296109     14.40152471    -14.79219725
  H     15.32999857     10.05810039    -12.46267918
  H     13.30194191     13.25261535    -14.16038831
  O     16.89882613      8.12607362    -14.38583229
  H     15.91127474     11.40450753    -13.00888074
  H     17.49972961     11.73805595    -16.21984220
  O     10.98619394     10.48506545    -12.83138383
  H     16.23640680     15.34027979    -14.93607291
  H     16.85900720     13.13773071    -16.16606322
  O     11.12354201     13.30652587    -16.34481389
  H     15.19933665     14.19788824    -14.90070664
  H     13.40287026     14.22212765     -9.92185909
  O     14.37190311     11.72337176    -16.97594764
  H     17.18771155      7.38412017    -14.91206416
  H     13.45690872     13.14515795    -11.03157211
  O     16.28006517      9.91473097     -9.53008439
  H     16.13589627      8.51405172    -14.84698193
  H     17.92843866      9.81985072    -14.67933308
  O     12.97153000     12.41882965    -12.57347150
  H     11.42556335      9.85813827    -13.42698723
  H     18.09467272     11.27288282    -14.18056059
  O     14.71409630      9.51409536    -15.33145586
  H     11.03840516     10.10569745    -11.94510474
  H     16.56475200     11.75886528    -10.05022373
  O     13.55382538     10.70114676     -9.26965745
  H     11.30666618     12.72255940    -17.09116288
  H     15.68922214     13.00784990    -10.25371825
  O     10.52135453      9.62817396    -16.49208886
  H     10.48714325     12.83400879    -15.79362910
  H     11.57470858      8.83832939    -15.26060025
  O     13.50696229     13.60132893    -15.03810747
  H     15.32036960     11.90592678    -17.06226155
  H     13.07130494      8.88825593    -14.86481431
  O     16.98761470     12.37474957    -16.74020713
  H     14.04502845     12.32618571    -16.29421850
  H     12.88860328     11.42781781    -17.89601232
  O     13.80831488     13.39223522    -10.15921928
  H     16.85763096      9.48101111     -8.90652753
  H     12.06987202     11.36466490    -19.20483810
  O     18.27407206     10.68303705    -14.92621930
  H     16.19823845      9.31945419    -10.29404348
  H     12.62788248      8.14590142    -11.44328821
  O     16.58387920     12.66760034    -10.37492192
  H     13.74646218     11.84117374    -12.67623402
  H     12.82692136      7.86312630    -12.94356851
  O     12.19161604      8.65849863    -14.53599163
  H     12.19872239     11.84556614    -12.64727816
  H     16.96858275     13.26834125    -13.52667505
  O     11.98944273     11.33532486    -18.25489274
  H     14.84109432     10.03036627    -14.51928744
  H     17.16335382     12.69869962    -12.07218151
  O     13.21697381      7.71327054    -12.07237628
  H     14.61263144     10.16419969    -16.03730724
  H      9.88648882     11.27608297    -14.00667658
  O     17.30112435     12.51997173    -13.01485675
  H     14.46640520     10.38821464     -9.26898106
  H      8.49579399     11.75635692    -14.47722340
  O      9.40188726     11.65506405    -14.75843365
  H     13.59783555     11.64664584     -9.45704840
  H     16.30082514      8.20440934    -12.59132405
  O     15.82561903      8.42922078    -11.78198053
  H     11.00297725     10.12606819    -17.16488194
  H     14.92491279      8.07186460    -11.85447108
          69
 Energy    -249.32108236217243     
  O     12.12613460      9.50996504    -10.57605130
  H     12.06679066      9.92650352    -11.44698604
  H     18.15000478     12.58696571    -15.57516892
  O     18.29008535      9.66585595    -12.08481999
  H     12.74804262     10.04766195    -10.07421173
  H     14.30125070     13.12736599    -12.16500008
  O     15.89830557     13.10622506    -13.22101056
  H     18.77793495      8.84232134    -11.95656879
  H     12.96635626     12.33584557    -12.17183684
  O     11.26259285      8.88745994    -14.93161368
  H     17.43469138      9.56602833    -11.64241340
  H     15.22571947     10.26955869    -14.40682365
  O     17.36556559      5.46982345    -11.82633226
  H     15.99609529     13.21458783    -14.17733952
  H     15.30774682     11.39764089    -13.35155823
  O     14.66383280      6.50618576    -14.13251103
  H     16.78399232     12.96372864    -12.86180576
  H     12.16290414      7.79273065    -10.63296554
  O     15.73554421      9.49567257    -11.06918705
  H     11.41128978      8.06750920    -14.42624918
  H     11.70912666      6.43317191    -10.04448347
  O     16.29006854     12.97151510    -16.00213957
  H     10.46081335      8.75898777    -15.43125054
  H     19.33188011      6.93301183    -13.82629871
  O     17.00275762      5.03558865    -14.64546608
  H     16.52831080      5.86521297    -11.54663547
  H     18.78758048      7.77471556    -14.99054336
  O     15.88174675     10.29014737    -16.18512103
  H     17.22322096      5.15963017    -12.72894353
  H     11.91929495      6.64225970    -12.59017839
  O     13.92360744      8.46268219    -15.99541677
  H     15.40424634      5.95298785    -14.40925600
  H     12.80074058      6.43298577    -13.83667518
  O     18.95980802     12.20763979    -15.21180078
  H     14.80141104      6.69191031    -13.19358772
  H     18.49278888     11.43347903    -12.22373319
  O     13.54928830     12.86991304    -11.61618539
  H     15.28332170     10.06033141    -10.43127162
  H     19.09920800     12.76073407    -11.71555689
  O     15.01469564     10.48612430    -13.49244457
  H     15.43256358      9.77325314    -11.94952164
  H     18.15596818      9.53815097    -13.97810168
  O     12.24780145      6.82591620    -10.72561148
  H     16.08568741     12.03037985    -16.14900355
  H     18.63871009     10.40515123    -15.15928696
  O     19.00096752      6.86836421    -14.72997179
  H     15.98976549     13.44227157    -16.77496996
  H     18.73594352      6.52996632    -11.79411428
  O     11.89984122      6.64125006    -13.55463804
  H     17.71875322      5.68523159    -14.76436638
  H     20.21196585      6.77518731    -11.39897990
  O     18.50562305     12.39488718    -12.36680388
  H     17.20257365      4.29867836    -15.21619123
  H     15.24651858      7.76260243    -11.17405590
  O     18.24939835      9.54627317    -14.93959360
  H     16.69571281      9.87746358    -15.86285555
  H     14.07325143      6.74822953    -11.06178930
  O     19.48509034      7.14604628    -11.89184461
  H     15.20003750      9.60787159    -16.28767989
  H     14.16797451     11.71599564     -8.70073032
  O     14.98453082      6.85049837    -11.36214763
  H     13.01418961      8.67080411    -15.75630002
  H     13.95091475     11.89404928    -10.22230593
  O     14.16574855     11.24412250     -9.52882405
  H     14.21179199      7.77197001    -15.38193859
  H     11.80771874     10.22165627    -13.73933954
  O     12.28382220     10.75278005    -13.08950195
  H     18.92791126     12.39064188    -14.26455082
  H     13.22371025     10.59720841    -13.26629846
          69
 Energy    -249.32093589820641     
  O     21.22402970     12.21490755    -18.76449832
  H     21.38287329     13.10108529    -18.39078458
  H     16.11807947     10.74536112    -14.26106584
  O     16.05129237     17.80116358    -13.87416922
  H     21.96480803     12.01395708    -19.32937625
  H     20.24300354     17.01871414    -15.81511786
  O     22.31813821     14.90483238    -14.90669018
  H     15.64707183     18.64533608    -13.69376860
  H     19.97199013     16.98251948    -14.29323077
  O     14.10247930     13.34166019    -14.31920704
  H     16.23787000     17.77842638    -14.83076288
  H     17.66784555     11.93908300    -12.95893069
  O     17.27685223     11.40243052    -17.31033480
  H     21.79197410     15.72415115    -14.85963062
  H     19.12283913     12.48847037    -13.23674148
  O     16.63384586      9.35195713    -15.47903028
  H     23.15327110     15.08607144    -14.48491719
  H     19.52878787     10.10792712    -14.96939752
  O     21.53669906     14.64204826    -17.62804729
  H     13.15623425     13.36488498    -14.20985461
  H     19.00311506     10.34149792    -13.53323645
  O     19.20565334     16.31975661    -17.32935192
  H     14.47022485     14.05459325    -13.76536790
  H     15.56463394     15.01864216    -17.65662497
  O     15.27593872     15.26067248    -12.83907742
  H     16.73809204     12.15721451    -17.02981950
  H     16.30395298     15.69997291    -18.81903162
  O     20.20532680     13.08532689    -14.55350553
  H     16.96090378     10.63702081    -16.81525107
  H     17.68742643     17.12683626    -13.36051862
  O     18.50851681     12.80210496    -19.43870108
  H     17.48968306      9.35988334    -15.01360766
  H     18.31909118     15.95487431    -12.54911953
  O     16.10889720     11.46213640    -13.61664062
  H     16.33392618      8.44714386    -15.48741114
  H     16.17616128     17.10454726    -17.06210959
  O     20.67613927     17.05008765    -14.95362901
  H     21.93800855     14.70659930    -16.75297468
  H     17.61428806     17.52051904    -16.75445385
  O     18.52088867     12.16608603    -12.55034268
  H     20.78965039     15.25160819    -17.62042654
  H     17.75186040     14.50909298    -10.51110461
  O     19.04450003      9.69211262    -14.24273140
  H     18.79338514     15.71350570    -16.69292681
  H     18.01631680     13.69665238    -11.79517702
  O     15.58370957     15.82537833    -18.18982257
  H     18.81643838     16.12153468    -18.19217755
  H     19.01578821     11.27759664    -16.77705911
  O     18.48685810     16.59328140    -13.25463289
  H     16.05225135     14.99721039    -12.33114998
  H     20.47900806     11.39430864    -17.26872445
  O     16.70587226     17.67284569    -16.48173182
  H     15.45884925     16.14028731    -13.19155310
  H     18.13081296     15.37973717    -14.63171589
  O     17.71963432     14.56058743    -11.46325496
  H     20.22763873     12.43115228    -15.26704002
  H     18.84412927     14.09782679    -15.11106836
  O     19.93891910     11.17818071    -16.49925644
  H     20.99734523     13.63200342    -14.61390182
  H     18.09014505     15.67975911    -20.61881058
  O     18.13755336     14.71879733    -15.33466325
  H     19.43333140     12.55590363    -19.31775864
  H     18.16048379     14.48648354    -19.63661646
  O     18.00731927     15.44652553    -19.69801486
  H     18.00292476     12.25476532    -18.82436085
  H     15.19007008     13.52018582    -15.79804618
  O     15.87899407     13.62906373    -16.46460687
  H     15.36127442     12.02806113    -13.83964602
  H     16.64058392     14.03532013    -16.02198269
          69
 Energy    -249.32066958339612     
  O     16.78312912     10.40869549    -14.65018598
  H     17.60526414      9.92739374    -14.81196424
  H     13.13430758     10.66337703    -12.54848911
  O     15.43060892      7.48803230     -9.37041434
  H     16.48860672     10.13487779    -13.76534546
  H     18.41829224      5.65172703    -15.93613829
  O     16.87554174     13.05254483    -13.96962280
  H     15.57647423      7.04763086     -8.53650510
  H     18.81147574      4.18733847    -15.62298730
  O     12.91133964      8.35785334    -10.49092424
  H     16.13202973      8.15372171     -9.45846021
  H     15.63455317      6.74731475    -11.14171793
  O     14.64974239      8.88609042    -15.62542146
  H     16.75630553     13.64242145    -14.70941145
  H     15.19861155      6.55354036    -12.65177699
  O     19.06210170      8.85323425    -14.73247002
  H     16.81814162     12.14701009    -14.31934292
  H     17.62412022      7.33592567    -17.21786326
  O     20.62645612     10.33887214    -12.93191110
  H     13.69743626      8.07223875    -10.01477513
  H     18.75799337      7.83069780    -16.27672315
  O     18.47513848      6.65108922    -13.11296720
  H     13.07332832      9.27520951    -10.76065640
  H     17.59937373     12.46375325     -8.90792771
  O     11.71211467      7.46604746    -12.75118118
  H     15.37364227      9.46564008    -15.35200916
  H     17.44432567     11.16365729     -9.72863781
  O     15.29018467     12.88351173    -11.57508989
  H     14.95111393      8.43263399    -16.42264040
  H     15.61234002      6.49630933    -17.14497550
  O     12.48956042      9.93684913    -14.07945186
  H     19.69030068      9.38566724    -14.22879205
  H     15.43430107      7.10058643    -18.55949177
  O     13.54866781     10.76266226    -11.67779984
  H     18.82757361      8.10503466    -14.16279909
  H     15.83525949      8.51589913    -12.28195360
  O     18.27273447      4.91245826    -15.31756123
  H     20.05499134     11.08124251    -12.66566447
  H     15.05126118      9.86507163    -12.06235548
  O     15.94671836      6.68753758    -12.05148929
  H     21.51794249     10.67587273    -12.96053526
  H     18.33371529     12.68823426    -12.81975509
  O     18.50271876      7.12133668    -16.88215152
  H     17.59514465      6.62571775    -12.70889269
  H     18.53550090     12.33642953    -11.33343265
  O     17.44679892     12.13282561     -9.78967682
  H     18.48772991      5.95332008    -13.77929151
  H     18.23879920      8.99474628    -10.25144713
  O     15.73661745      7.30310483    -17.67801152
  H     10.82589208      7.16523724    -12.57067495
  H     16.89594761      9.51946273    -10.81238074
  O     15.91219459      9.47812587    -12.27512462
  H     12.09785651      7.73520433    -11.89773025
  H     13.17958315      6.81455905    -13.63264162
  O     18.98218766     12.35390150    -12.18814054
  H     15.96770631     12.69719115    -10.91417386
  H     14.26677388      7.44551115    -14.54414442
  O     17.39099655      9.38413572     -9.98814249
  H     15.76462574     13.03288415    -12.40182334
  H     20.06460717      8.99535014    -11.67580896
  O     14.05095777      6.66029623    -14.01934680
  H     12.09502411      9.12684342    -13.73362848
  H     19.34980591      7.63472369    -11.74369414
  O     19.63740746      8.32374221    -11.13015538
  H     13.14882861      9.65470795    -14.72620921
  H     16.35958797      4.99370007    -15.63103628
  O     15.48352581      5.20281520    -15.97718883
  H     14.02717942     11.60299767    -11.64089033
  H     14.95384977      5.52960937    -15.23799211
          69
 Energy    -249.32040197589015     
  O     12.01977288      9.81191529    -15.05806547
  H     11.76599141      9.34356674    -14.25354877
  H     20.16704564      7.70072348    -14.76296843
  O     14.90864254      4.75751687    -13.16557743
  H     12.51232262     10.59547591    -14.78528371
  H     15.24762558     11.03304167    -17.21202960
  O     17.61534661     10.01752663    -11.67869852
  H     14.78516637      3.83927660    -12.94072270
  H     16.36012624     11.74427425    -16.40846862
  O     18.22742442     11.58013172    -16.21198943
  H     14.89382461      5.25913511    -12.32787154
  H     16.63433838      8.67754230    -15.61998223
  O     12.79445502      6.23324826    -14.39355794
  H     17.48279792      9.99671499    -10.72319146
  H     16.40387569      7.54434700    -14.58960221
  O     14.39228270      9.33003207     -8.64357547
  H     16.74270785     10.11989300    -12.08585249
  H     11.90678068      7.33461980    -13.39086160
  O     14.91702416      6.24286028    -10.95020768
  H     18.82639746     12.25518487    -16.51958331
  H     10.56659946      7.71751084    -12.71999261
  O     15.18727116     10.09849693    -12.96708830
  H     18.57219215     11.27143039    -15.35420211
  H     17.90599001      6.93263540    -10.48771122
  O     17.62247951      9.01557437    -17.16195295
  H     13.52716949      5.70287870    -14.05791201
  H     17.30762298      7.76971492     -9.34615014
  O     19.14034974      6.95456033    -15.94910458
  H     13.10347003      6.68094085    -15.19009531
  H     18.70946358     10.52430477    -13.09514134
  O     17.21903608      6.03972399    -14.08267845
  H     13.95014738      8.71957934     -8.05772202
  H     19.77645812      9.82231820    -13.96250143
  O     20.63628664      8.13336589    -14.02665324
  H     14.02542454      9.15970542     -9.52663772
  H     19.42968380      7.60273334    -12.67292090
  O     15.40619386     11.72153666    -16.55603906
  H     15.73144845      6.41163232    -10.45602517
  H     18.23999038      8.32221649    -12.00217690
  O     16.04712284      8.38246225    -14.91344753
  H     14.44542812      7.08174347    -11.00694923
  H     17.44384044     10.09311865     -8.16311290
  O     11.45631247      8.02549513    -12.87080297
  H     14.71105286     10.82255337    -13.39058780
  H     16.12379034      9.59905031     -8.79820346
  O     17.32565485      6.87982701     -9.71615885
  H     15.47676582      9.49418956    -13.66802808
  H     14.68684655      9.39907580    -19.18760459
  O     19.21883872     10.60823353    -13.91156560
  H     16.83517267      9.11359180    -17.71257164
  H     14.52159425      8.92677283    -17.72488992
  O     18.63646680      7.45016977    -12.14545698
  H     17.92597674      9.90598281    -16.93835596
  H     12.77210850      8.51135887    -11.68636408
  O     17.08400226      9.66824710     -8.93741600
  H     18.47392631      6.48130860    -15.43224769
  H     14.14381915      9.22633654    -11.80396104
  O     15.07843638      9.45775286    -18.32021232
  H     18.66329935      7.59177305    -16.49663293
  H     13.53137432     12.91269267    -14.31900309
  O     13.57254361      8.73525030    -11.19587250
  H     16.47942900      5.50026504    -13.77745263
  H     14.33179346     11.94379866    -15.22414479
  O     13.76147281     11.99507324    -14.43529665
  H     17.66372067      6.41442166    -13.30784593
  H     13.06187749      8.71529034    -15.99049600
  O     13.71657344      8.10769011    -16.37071779
  H     21.55859392      7.91162400    -14.11883514
  H     14.50671347      8.16023255    -15.81130082
          69
 Energy    -249.31937993314369     
  O     13.22799363      6.90370852    -15.53959126
  H     13.00560355      7.84009714    -15.59873478
  H     12.63036481      3.92452663    -11.96555068
  O     11.28712552     10.39733253    -11.38422588
  H     14.16402387      6.86707054    -15.30355265
  H     13.00847034      6.02582366    -12.39405286
  O     16.55604469      5.17804756    -10.38846330
  H     11.04764521      9.77391860    -12.09063991
  H     12.15550673      6.79563519    -11.36879567
  O     12.02111547      3.77063364    -10.19315818
  H     10.55535122     11.00411675    -11.29608334
  H     12.91026199     10.13214517    -14.70869886
  O     14.22420430      7.77679168     -8.32534860
  H     17.49557422      4.96085924    -10.41125186
  H     12.42065902     10.30093098    -16.16680546
  O     18.63973770      7.26889167    -14.25208405
  H     16.49485743      6.14365839    -10.33500465
  H     20.04083044      4.30783667    -10.64153641
  O     13.53372010     10.78280611    -13.20013169
  H     12.78410286      4.17953310     -9.74242417
  H     19.12327790      4.62826177    -11.84710802
  O     15.80046503      4.54765602    -12.99356655
  H     11.80649126      2.97765178     -9.70972483
  H     14.16768826      7.99465716    -12.27643711
  O     18.82085937      7.60510636    -11.55248489
  H     13.36690467      8.07287346     -8.67933407
  H     15.35485965      8.03915496    -13.25908969
  O     10.62209344      6.21842284    -10.42001097
  H     14.25017844      8.05505984     -7.41314377
  H     14.98136265      4.90046164     -9.47075124
  O     11.80534716      8.48733925     -9.30750297
  H     18.70654678      7.46919026    -13.30115692
  H     14.08972245      5.91089239     -8.73264625
  O     13.08531848      4.17699189    -12.77923776
  H     19.30742825      7.79040019    -14.68917870
  H     15.68234841      7.98547595     -9.50144945
  O     12.79602160      6.91298813    -12.08107909
  H     12.86896834     10.82845384    -12.50387003
  H     15.88525690      8.23296341    -11.01657698
  O     12.48163918      9.67236393    -15.45294852
  H     14.15153962     10.08838035    -12.92686949
  H     18.68006991      5.35700681    -13.91114161
  O     19.29883573      4.84074407    -10.91248972
  H     14.87361790      4.27450901    -12.98580586
  H     17.62269861      4.33043899    -13.46374798
  O     14.95929071      8.50454417    -12.51084149
  H     16.03112554      4.75899379    -12.07750396
  H     11.60325253      7.94309700    -13.06646982
  O     14.11699398      5.00066596     -9.04960274
  H     19.09815245      6.74046803    -11.22462086
  H     11.29776824      8.94283459    -14.20689381
  O     16.33838093      7.94783469    -10.20819360
  H     18.06116713      7.86309562    -11.01510612
  H     15.82939239      6.01993658    -14.02966203
  O     18.57641857      4.48459010    -13.51110995
  H     10.97611495      5.33836894    -10.24143041
  H     16.82031570      7.05488023    -14.60964217
  O     10.93076677      8.55622610    -13.40268642
  H     10.12805107      6.15523156    -11.25145359
  H     12.04933087      5.66793616    -15.13694296
  O     15.88159523      6.84098892    -14.54276101
  H     11.24027520      7.74313212     -9.55748472
  H     11.16583575      4.51816036    -15.67030420
  O     11.42567985      4.96809385    -14.87044759
  H     11.65391103      9.18324000     -9.95754094
  H      9.76682430      7.07250291    -13.19726397
  O      9.55832786      6.15127379    -12.99003948
  H     12.43444089      4.28578267    -13.48526251
  H     10.08457738      5.64334566    -13.61917399
          69
 Energy    -249.31911061692074     
  O     12.67559657     12.59281276    -13.11843091
  H     13.43811935     12.63995617    -13.71873439
  H     17.39874945     10.51972409    -17.22615049
  O     19.45491776      9.74030108    -12.29004700
  H     12.37337678     13.48856178    -12.98905209
  H     12.65968481      9.65897127    -17.29828981
  O     16.00816775     10.63806207    -11.60269203
  H     19.02742946      9.53187365    -13.13496308
  H     11.78647243     10.48660395    -16.31565713
  O     11.26132160     10.55836321    -14.60180724
  H     19.17627045     10.63863993    -12.08483172
  H     16.40808501      9.66002223    -14.35970714
  O     13.90592522      7.73119131    -14.66770135
  H     15.80657481     10.41014178    -12.52424812
  H     14.91303767      9.21870775    -14.38618961
  O     15.16734415      6.32831472    -12.64800699
  H     16.74175829     11.26249023    -11.62991081
  H     13.23669236     11.79944420    -17.47180031
  O     19.00218490      7.29109764    -11.25480872
  H     11.32770649      9.79880432    -14.01019912
  H     13.63702439     13.09802803    -18.21780823
  O     14.78680467     12.50578312    -14.90422477
  H     11.64487623     11.29856597    -14.11717768
  H     13.46286119      9.00237024    -10.01594013
  O     16.33964541      8.01839543    -10.74778875
  H     14.42726670      7.16365141    -14.08349389
  H     14.67723465      8.06047813     -9.88181179
  O     15.80925636     10.33576943    -17.85742204
  H     13.15326807      8.03288482    -14.13991637
  H     18.26252591      9.35371888    -15.44451784
  O     17.81993386      6.41592166    -13.76139639
  H     14.33356312      6.07181297    -12.23589507
  H     18.00997753      8.06916034    -14.52188608
  O     18.27554517     10.63807976    -16.81785950
  H     15.58831958      6.93509073    -12.02036970
  H     16.68495991     12.72609161    -14.82568632
  O     12.18230636     10.49031889    -17.20045033
  H     19.74799156      6.95338068    -10.76692561
  H     17.90445935     11.98706830    -15.42124600
  O     15.50033537      9.96035933    -14.20403872
  H     19.24576338      8.18424772    -11.56081273
  H     18.53869565     13.14495585    -11.74179916
  O     13.94117168     12.46791144    -17.57126341
  H     15.01351505     11.57634055    -14.73561073
  H     18.06413464     12.44111516    -13.03367638
  O     13.73054598      8.13318512     -9.69395102
  H     14.49931573     12.56985963    -15.82435724
  H     14.23318386     10.60368668    -11.25937761
  O     18.04485946      9.03574278    -14.56067362
  H     17.25931186      7.72876895    -10.78341127
  H     12.95458437     11.27574965    -11.77333864
  O     17.63722224     12.59871525    -14.72587751
  H     16.32607779      8.94981776    -11.01133082
  H     12.46004711      9.18314519    -12.24878930
  O     18.22238514     12.31224005    -12.08121903
  H     15.23572579      9.57324031    -17.71446642
  H     12.06192540      7.68706563    -12.31012869
  O     13.26797241     10.52204134    -11.25828923
  H     15.23096564     11.10810704    -17.85153430
  H     13.00130900      6.83968057    -10.61075018
  O     12.02295500      8.51714796    -12.79989409
  H     18.29790672      6.56744500    -12.93548877
  H     12.15038730      5.55796684    -10.78647006
  O     12.65850878      6.20542800    -11.26730770
  H     16.91940896      6.19231702    -13.49635266
  H     13.93374646      7.97829980    -16.41367981
  O     13.94585920      8.22419225    -17.35370618
  H     18.89120928     10.79157774    -17.52917484
  H     13.81951192      7.41833524    -17.84860434
          69
 Energy    -249.31886368911626     
  O     11.72733201      9.96818177    -10.72310639
  H     11.24319100      9.25529746    -11.15929432
  H     15.40293000      5.83670510    -16.77833572
  O     13.64471311      7.11632285    -14.66207328
  H     12.05484678     10.53721897    -11.42959022
  H     17.30129953      7.02700243    -16.65144352
  O     17.68837720     11.15931327    -11.08448232
  H     13.84579792      6.60626581    -15.45507386
  H     17.20842887      6.14408581    -15.37565425
  O     17.35248222      8.77628319    -17.49579174
  H     14.40805536      7.68242921    -14.47011501
  H     15.45708145     11.61814937    -15.31269118
  O     11.69878483      9.02904192    -14.39190356
  H     16.77345187     10.87621410    -11.25606103
  H     14.76865077     12.98011420    -15.55014741
  O     16.23713769      6.83383290     -9.69886186
  H     17.63846531     11.93354380    -10.53001425
  H     15.59844911      9.11909581    -13.02848525
  O     13.23197185      6.32836278    -12.06269500
  H     17.83973595      8.87215702    -18.30986407
  H     16.15253945      9.28406753    -14.46504395
  O     15.20034715     10.18665619    -11.61815975
  H     16.40886850      8.70674951    -17.73728273
  H     18.78126144      7.16215305    -13.10089141
  O     14.73657022      8.48116807    -17.99090391
  H     12.36557080      8.35283325    -14.59133986
  H     20.32429998      7.20882955    -13.03021606
  O     15.69138429      4.99393232    -11.55468090
  H     11.14429181      8.63655542    -13.70906802
  H     11.53878657      7.07828637    -12.01440144
  O     16.91597117     10.61195111    -15.44867444
  H     17.00105921      7.40900548     -9.85374649
  H     10.00514496      7.06446792    -11.84773027
  O     14.44951070      5.80323003    -16.97840860
  H     15.46507608      7.40467318     -9.60637451
  H     19.16997431      9.52564339    -13.38025424
  O     17.05495928      6.15123952    -16.32923476
  H     13.34847371      6.55723865    -12.99765057
  H     18.54310719     10.76688119    -12.71790431
  O     14.61481534     12.09570723    -15.22642101
  H     13.97328486      5.74988236    -11.84645350
  H     16.72422625      7.18447628    -13.60088216
  O     15.76430663      8.64611012    -13.85393344
  H     14.82756027      9.53732417    -11.00614124
  H     16.75172754      5.80481941    -12.89357086
  O     19.53783704      7.72009149    -12.85637683
  H     14.45731367     10.59038182    -12.08858147
  H     18.85983880      8.18875442    -11.12292592
  O     10.73982080      7.62449761    -12.08738872
  H     14.48158982      7.58151443    -17.75945457
  H     18.20595205      9.41701022    -10.47609038
  O     18.85744905     10.42002747    -13.56288765
  H     14.08468237      9.07265314    -17.58717693
  H     12.37312552      9.87093912    -16.01377294
  O     17.23519794      6.36391282    -13.51276502
  H     15.83245208      4.11603442    -11.21077207
  H     13.49798582     10.89554464    -16.24436047
  O     18.36673371      8.47534371    -10.34527886
  H     15.93482073      5.61748826    -10.84341096
  H     13.10287874      8.91805828    -10.11773154
  O     12.99769187     10.19194446    -16.67440490
  H     17.66792693     10.62345136    -14.83458286
  H     13.64904464      7.62299129    -10.75993780
  O     13.85715997      8.31067586    -10.11283106
  H     17.14903565     10.05511196    -16.20282960
  H     13.54154625     11.57720952    -13.76609321
  O     13.05220774     11.10495691    -13.08047210
  H     14.29277290      4.99263848    -17.45418429
  H     12.57092313     10.40008243    -13.53767186
          69
 Energy    -249.31861915552133     
  O     13.68292399     11.76444536     -8.38101876
  H     13.69322421     11.62660287     -7.43741231
  H     13.71228287     13.13074345    -12.45333834
  O     11.10052320     10.87724252    -14.99975767
  H     13.85061257     10.89629155     -8.79281646
  H     12.01909188     13.87924617    -15.55188301
  O     14.00963576      9.41355599     -9.66069719
  H     11.63980436     10.89463900    -15.79999350
  H     12.76303461     13.01761525    -16.59539382
  O     18.59789739     12.97551672    -13.35589950
  H     11.07082492     11.78572096    -14.66499851
  H     15.50465965     11.74664674    -12.74997251
  O     11.63420901     12.41753596    -10.19665816
  H     14.70596912      9.13641755    -10.26650083
  H     14.13308180     11.16755874    -13.26127158
  O     11.50875865      9.67957196    -10.94672100
  H     13.16200188      9.25807415    -10.09763470
  H     16.68888851     13.17547115    -15.71325558
  O     12.98537520      9.84280445    -13.27256092
  H     18.24003610     12.76663335    -14.23744206
  H     16.91540332     11.67471151    -15.93600282
  O     15.03952976     15.49756525    -10.96523227
  H     19.54052240     13.07632667    -13.45898226
  H     13.87396023     10.86793740    -16.65972614
  O      9.45839648     10.07202382    -12.76289635
  H     12.22685161     12.26819714     -9.44951459
  H     13.04867109     10.85934641    -17.96345157
  O     15.18658254     14.10356652    -15.06836302
  H     12.15104832     12.91968072    -10.84477987
  H     16.98783310      8.34748207    -10.94021067
  O     11.04089408     13.46067659    -13.89950787
  H     11.53764271     10.59781057    -10.64482396
  H     16.58297235      9.74403801    -11.46085710
  O     13.12117708     13.79469550    -12.07211618
  H     10.72398626      9.61511015    -11.51105621
  H     15.69267560      8.36291070    -13.16246989
  O     12.70434278     13.90906377    -16.23011900
  H     12.52708304      9.71479477    -12.43299990
  H     14.34587851      8.68265486    -13.79889866
  O     14.74187175     11.92060267    -13.31831351
  H     12.31827669     10.12097653    -13.91440676
  H     15.44285329      9.60337116    -15.29576516
  O     17.37862837     12.49645551    -15.73687034
  H     15.69163096     15.43859414    -11.68796495
  H     15.24331283     11.08349369    -14.97923449
  O     13.03066507     11.14478643    -17.05284030
  H     15.06156293     16.39521242    -10.64590777
  H     16.62279842     12.02827693    -10.95390412
  O     16.27401417      8.82877062    -11.35304345
  H      9.85949619     10.19721104    -13.63189593
  H     17.59919290     11.95624957    -12.18622611
  O     15.22532063      8.33348386    -14.00492685
  H      9.24372039     10.95902405    -12.44832921
  H      8.60233461     13.18460339    -11.24559304
  O     15.37785506     10.47372444    -15.71654891
  H     14.35845467     14.20310558    -15.55723560
  H     10.04781796     12.66798572    -11.08045860
  O     16.92765880     11.47241091    -11.68993700
  H     15.02637201     13.39000393    -14.43528425
  H     17.45306004     14.52289691    -13.05003647
  O      9.32046436     12.76772527    -11.71604901
  H     11.79265656     13.68940760    -13.33397382
  H     16.20021332     14.99198183    -13.81286845
  O     16.73524333     15.16490665    -13.02475640
  H     10.30111268     13.33874901    -13.29270639
  H     15.10808518     12.67274327     -9.25045301
  O     15.84002510     13.03490341     -9.76388202
  H     13.68347673     14.48314505    -11.69635582
  H     15.56881376     13.91317419    -10.05646237
          69
 Energy    -249.31856933043287     
  O     20.14711846      6.69793265     -9.75195498
  H     19.27057858      6.80202129     -9.36574180
  H     19.18006700      3.78811917    -13.68881402
  O     15.22959940      7.75819031    -10.14324374
  H     20.25621910      5.75503705     -9.93278688
  H     14.62148665     10.30364180    -13.84407399
  O     12.91097265     10.60045855    -13.17314746
  H     14.91695858      7.11058382    -10.79219018
  H     15.91862519      9.74052956    -13.20894935
  O     17.97885882     10.25418952    -15.27136539
  H     15.75325162      8.41244020    -10.63351980
  H     18.67947394      7.08564910    -12.37335476
  O     12.02271684      8.12924273    -14.36268153
  H     12.44450684     11.42262236    -13.04778851
  H     17.70746543      5.99248645    -11.81971952
  O     17.53830368      4.61942282    -10.48936153
  H     12.89003834     10.13449046    -12.31793456
  H     15.46745251      6.81719402    -14.93638123
  O     14.19030863      6.09733543    -12.17490226
  H     17.98279778     10.97490641    -15.89757424
  H     15.00700401      8.23823033    -14.51663900
  O     20.24311349      3.96058634    -10.56937407
  H     17.07082790     10.19025809    -14.93432566
  H     16.58476063      7.13264333     -9.12828423
  O     15.74753610      3.74398913    -12.38891993
  H     12.87448269      7.76075528    -14.63673438
  H     17.21657642      6.85661226     -7.74965656
  O     17.47608237      3.29650733    -14.41695238
  H     12.21000789      9.03780795    -14.09604880
  H     21.92330723      6.38826778    -14.93380109
  O     20.30241381      7.91409646    -12.20091634
  H     18.44228752      4.28174189    -10.44487251
  H     20.45462600      6.87411265    -14.94666681
  O     19.99765120      4.04499753    -13.24644541
  H     17.42841517      5.24121536     -9.75875978
  H     13.57663252      8.75097247    -10.46975117
  O     15.49477028      9.95212382    -14.05618853
  H     13.23718356      6.19193638    -12.05605928
  H     12.24645548      8.35556034    -11.13484238
  O     17.78265918      6.72731079    -12.43902085
  H     14.40217021      6.52668616    -13.01612514
  H     19.66143029      9.62351366    -12.46982080
  O     14.70167838      7.32983071    -14.64538379
  H     20.79535273      3.22798738    -10.31192375
  H     18.89538828     10.44208919    -13.53346303
  O     17.35449802      6.73742513     -8.68637640
  H     20.21219832      3.96355711    -11.54411243
  H     17.19061267      5.04372167    -15.00714866
  O     21.11635562      6.38330060    -14.42591180
  H     15.11086191      4.46899934    -12.36265970
  H     17.32153777      6.28404488    -14.10126213
  O     12.78853560      9.11618407    -10.88815250
  H     16.33733647      3.90535044    -11.63821143
  H     18.81667596      8.58009316    -15.63298023
  O     19.12951159     10.42315989    -12.59827903
  H     17.28770604      2.46497998    -14.84315795
  H     18.40956844      7.09274838    -15.67128631
  O     17.09055044      6.00259863    -15.00212469
  H     16.81898123      3.40224582    -13.70413344
  H     11.55928722      7.26591200    -12.90743739
  O     19.16449489      7.69082423    -15.76461771
  H     20.40830838      7.52797062    -11.31804161
  H     10.61773213      6.42712201    -12.00752660
  O     11.47188647      6.84887963    -12.03087756
  H     20.76984380      7.37534278    -12.84980997
  H     17.08929104      8.31843552    -12.02323043
  O     16.82216778      9.21976407    -11.78309232
  H     20.35699317      4.80478383    -13.72093323
  H     17.60745797      9.77350989    -11.90097866
          69
 Energy    -249.31829682043065     
  O     14.11874158      8.74491517    -10.72556156
  H     14.76470817      8.29806158    -11.29562277
  H     17.37396654      4.28219301    -13.01503567
  O     13.81176214     11.14353966    -16.26432964
  H     13.78510549      9.47208563    -11.26357521
  H     20.19150324      7.83670101    -14.68087941
  O     16.56510078     11.03879443    -12.67614218
  H     13.48574372     10.29483529    -15.94086615
  H     18.92394956      8.70490633    -14.54644768
  O     16.17546480      6.20738962     -8.17116782
  H     13.49587903     11.80238031    -15.63297833
  H     12.80759955     13.80653371    -14.01385662
  O     15.99579981     13.30733270    -14.25437330
  H     15.63506335     10.77652584    -12.64559217
  H     14.23916972     13.23224900    -14.15464390
  O     15.90957813      7.48604004    -12.43034896
  H     16.98354335     10.77586070    -11.84804735
  H     14.23626956      8.62825690    -15.01643435
  O     13.75570703     10.55919782    -12.78242835
  H     16.80986698      5.87611675     -8.83227289
  H     12.97719592      7.81621813    -14.70734757
  O     18.57287125      7.66270738    -11.56014659
  H     16.36914970      5.75697886     -7.35367409
  H     16.54423588     12.08003079    -17.56243318
  O     17.96664120     10.15096999    -10.38766842
  H     16.29070028     12.65186251    -13.60690478
  H     15.51252864     11.49294014    -16.57435425
  O     17.84772402      5.26897717    -14.34328471
  H     16.24376477     12.94743201    -15.11477689
  H     12.24263668      5.29648327    -14.51002572
  O     15.55852774      5.66736487    -15.86274021
  H     16.80618697      7.44095229    -12.07654792
  H     13.48874867      5.55890746    -13.64317346
  O     17.02166362      3.76244590    -12.26890655
  H     15.52217980      6.60121111    -12.39979012
  H     14.58004419      6.05011874     -9.19262943
  O     19.33771811      7.87653282    -14.25533111
  H     13.52319199      9.89951980    -13.45182875
  H     13.72051561      6.99791301    -10.04711082
  O     13.29430153     12.99657515    -14.13746811
  H     13.47992138     11.41501294    -13.13053798
  H     15.29440306      4.48056924    -12.22815372
  O     13.28280685      8.71797182    -14.85208754
  H     18.49065729      8.54419400    -11.17330530
  H     14.24412015      5.28895038    -11.37670168
  O     16.43940743     11.77840975    -16.66382946
  H     18.95389884      7.75457301    -12.44268989
  H     18.25934449      6.14716267    -10.56004200
  O     13.00219405      5.86827345    -14.42584265
  H     17.32552064      9.75148609     -9.77044386
  H     17.61781296      4.76061923    -10.78442908
  O     13.85918262      6.06531222     -9.83480594
  H     18.51646400     10.73666485     -9.87410817
  H     15.95616113      7.99683475    -14.12649110
  O     14.52341644      5.05845055    -12.27752452
  H     18.30226239      6.11408904    -14.39053609
  H     16.62865213      8.95272627    -15.14673472
  O     17.87751193      5.38775032    -10.09914484
  H     17.08116031      5.32820965    -14.93445088
  H     15.33906640      8.99443976     -9.38379553
  O     15.94586610      8.28232181    -15.05478446
  H     14.66368657      5.56604496    -15.52207625
  H     16.19635245      8.06753252     -8.50024895
  O     16.13486251      8.97094239     -8.83306175
  H     15.73699703      6.61617003    -15.78233034
  H     17.59492844     10.75688881    -15.61416271
  O     17.96022101     10.20065520    -14.91376763
  H     17.26672319      2.85483686    -12.42759178
  H     17.53999956     10.49383543    -14.08968732
          69
 Energy    -249.31786172482430     
  O      1.66840135     -0.39716607      5.12984986
  H      2.26316113     -0.45193344      5.87332137
  H     -2.52632800      3.07429327      1.93503408
  O      1.41997013      0.27053179     -2.82349514
  H      0.93642677     -1.01427143      5.31179463
  H     -0.57802730      2.39819608      3.31653593
  O     -0.50559923     -1.96052592      5.56873224
  H      1.53244936     -0.68138943     -2.70562311
  H     -0.05374796      2.36260353      1.84436286
  O     -0.75265184      0.64032714     -1.02648223
  H      0.59018673      0.48487538     -2.37718350
  H     -2.20884146      1.61222818     -1.12594536
  O      1.72963709     -2.43828886     -1.93422262
  H     -1.21875447     -1.30828521      5.49933268
  H     -3.19400190      2.45724587     -1.96710176
  O      3.29034633     -1.25964974     -0.04479386
  H     -0.82116076     -2.72790855      5.08092812
  H     -1.58636904      0.88492449      2.19659675
  O     -4.09897730     -3.21018443      2.75451150
  H     -0.85869274     -0.31572596     -0.92166852
  H     -2.71787158     -0.00316916      1.59497142
  O     -0.26197786      1.75701532      4.94706020
  H     -0.11735839      0.93411986     -0.35872298
  H      0.00519498     -2.35448283     -1.20581243
  O      3.23677598      1.40435668     -1.13668568
  H      2.31018221     -2.08970188     -1.23360311
  H     -0.58912968     -2.24816666      0.22188128
  O     -5.38556310      1.46044822      2.49120449
  H      2.18792271     -3.17497649     -2.32951576
  H      1.97395849     -0.56502652      3.30826220
  O     -4.98573813     -0.81100221      4.24445976
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  H      1.17014427     -1.32022684      2.22696821
  O     -3.42258680      3.11078093      1.57214716
  H      3.44910915     -0.36558771     -0.37148756
  H     -2.23131242     -0.04808963      4.01415353
  O     -0.82946772      2.54182022      2.39070476
  H     -4.89310494     -3.73971661      2.73278851
  H     -3.36832995     -0.27916548      4.99976134
  O     -3.06342121      2.07712863     -1.10243967
  H     -3.86007280     -3.03437127      1.82665187
  H      1.93466949      1.61716937      0.20275560
  O     -1.96377331     -0.00549706      2.19467993
  H      0.46595291      1.13124406      5.03675416
  H      1.45251660      0.74808437      1.39222243
  O     -0.79995594     -2.14056641     -0.71867522
  H     -1.06303941      1.25682783      5.15500136
  H     -1.62297559     -4.89023993      3.88210169
  O      1.92046168     -0.72130085      2.35768250
  H      2.64437017      1.06316993     -1.83036054
  H     -2.52262795     -3.69198912      3.50786278
  O     -2.42977374     -0.05712976      4.96190660
  H      3.86082930      1.98399261     -1.56435012
  H     -0.69330726     -2.87499732      2.58770814
  O      1.19815219      1.47925975      0.81027366
  H     -4.68631454      2.10095239      2.26756193
  H     -0.94314696     -1.42283091      2.09034925
  O     -1.63030108     -3.93960705      3.79989821
  H     -6.17728047      1.96866763      2.64860277
  H     -3.83232126     -1.71993621      0.15243803
  O     -0.36386339     -2.19661061      1.98878228
  H     -5.14620087     -0.06757095      3.64923358
  H     -2.61469930     -2.57833276     -0.24743188
  O     -3.47302784     -2.61911588      0.18966511
  H     -4.69996955     -1.55004801      3.69522635
  H     -3.92843708      0.70782028     -0.20035617
  O     -4.22386934      0.02099237      0.41130830
  H     -3.32367633      2.92757521      0.63043377
  H     -4.78422833      0.45273343      1.06968080
          69
 Energy    -249.31749151534785     
  O     -6.46404302      4.03349513     -0.02402277
  H     -5.59003186      4.32455493     -0.34661408
  H     -4.03959469     -2.37747716      3.41440346
  O     -2.65257995      3.77367394     -3.22122863
  H     -6.99273959      4.81895739      0.08220459
  H     -0.27736942      1.16706785      0.80941415
  O     -5.20077682      2.16367827      1.63332981
  H     -1.78645866      3.34595657     -3.10839710
  H     -0.46080194      0.32213339      2.09229996
  O     -3.10827462     -1.70979292      0.09459938
  H     -2.54678354      4.42409184     -3.91120817
  H     -0.83054609      2.42285511     -1.03253961
  O     -1.02291715     -0.22616891     -2.90527351
  H     -4.62211807      1.77853902      0.95521524
  H     -2.02787610      1.90722703     -0.17974868
  O     -4.43430693      1.62713403     -2.89525515
  H     -5.72707509      2.83821010      1.18833354
  H      3.01385942      1.82358432      1.31297798
  O     -5.00925718     -1.98442851     -1.89457470
  H     -2.15636897     -1.78233991     -0.04932790
  H      1.78341601      1.00139785      0.91466288
  O     -3.62330701     -0.85683097     -3.90358787
  H     -3.28159756     -1.80133748      1.04030940
  H     -6.12110513      1.72494140     -2.18001538
  O     -0.33895435      2.40291254     -2.79300260
  H     -0.82560521     -0.73838469     -2.11322043
  H     -6.86703698      2.52712227     -1.09588861
  O     -0.37446227     -1.59782004     -0.44071479
  H     -1.87954301     -0.52436224     -3.23319129
  H     -2.25116234      1.13716376      3.37927121
  O     -6.09232064     -0.46313529      1.96556376
  H     -3.84693941      2.36204777     -3.11257612
  H     -2.49664205     -0.37282606      3.16572019
  O     -3.83719516     -1.68428660      2.79197267
  H     -4.13722483      0.84330462     -3.37500737
  H     -8.14962303     -1.03297548     -0.77231824
  O      0.11145446      0.43874675      1.32027258
  H     -5.81194701     -1.62129237     -1.50202796
  H     -7.16201642      0.13876387     -0.97154055
  O     -1.16166932      2.33941193     -0.13064760
  H     -4.35879585     -2.02792694     -1.17893084
  H     -3.92156020      1.20394158     -1.18008327
  O      2.60662420      1.38196939      0.57081509
  H     -4.15207082     -1.31255539     -3.22299808
  H     -3.45908859      0.08484788     -0.18725034
  O     -6.91273822      1.72154567     -1.62407306
  H     -3.77686161     -1.31458866     -4.72545589
  H     -1.71553471      3.78360943      0.84914101
  O     -1.80298361      0.29063996      3.25838361
  H      0.60822318      2.46541032     -2.60769920
  H     -2.52637126      3.98673661      2.13327047
  O     -7.24598797     -0.76702718     -0.62247745
  H     -0.55292047      1.46263195     -2.90862942
  H     -3.49860910      4.46106581     -1.58074391
  O     -3.58750494      1.03609967     -0.28927994
  H      0.35805101     -2.20876972     -0.44793036
  H     -3.38876483      4.71970616     -0.05348961
  O     -2.24627034      4.43619710      1.32885808
  H     -0.14823277     -0.89703350      0.19421739
  H     -4.00949779      2.56266834      2.87590274
  O     -3.99824164      4.73728530     -0.80687084
  H     -5.90067718      0.48459494      1.95634722
  H     -3.63735036      3.08619893      4.28153527
  O     -3.26315988      2.74856439      3.47124839
  H     -6.51282277     -0.65124021      1.11771771
  H      2.42540679      2.03340675     -1.11481649
  O      2.30095473      2.37264613     -2.01513953
  H     -4.68512674     -1.27100989      2.54573690
  H      3.14203794      2.26389958     -2.45219215
          69
 Energy    -249.31727512111780     
  O     13.78678819      4.60510584    -16.18047060
  H     13.91313191      4.45873196    -15.23436197
  H     18.94246777      7.24189948    -17.04784032
  O     18.19958680      6.43998617    -12.07429532
  H     13.60751824      5.55127008    -16.27310611
  H     15.42499751      7.07466526    -15.72681447
  O     16.24463926      6.70706069    -18.96493307
  H     19.02667096      6.63274732    -12.53293074
  H     16.40382075      7.37509420    -14.55522221
  O     14.37146625      6.02798934     -9.94611413
  H     17.57224807      7.13642343    -12.32347105
  H     11.64584592      8.93060590    -13.84675490
  O     14.34024081      4.50525576    -13.40685495
  H     16.09411068      5.79678798    -18.68089984
  H     12.92653199      8.16754177    -13.47060489
  O     16.36464991      8.25742425    -12.95130718
  H     17.05314072      7.00454650    -18.53205811
  H     16.77678878      3.79856587    -10.19954779
  O     17.53937008      4.52089084    -15.90705852
  H     15.31512653      5.94211776     -9.76403906
  H     16.76013214      3.20689071    -11.61504463
  O     13.77443140      3.36513161    -10.87465261
  H     14.06198424      5.13489478    -10.14550015
  H     13.23801762      7.91313941    -15.61759418
  O     19.21244177      9.30209980    -14.89007628
  H     15.29959640      4.38046964    -13.38299994
  H     13.80572459      7.89890185    -17.08211405
  O     15.71415031      4.06187004    -17.99386130
  H     13.99222198      4.05787645    -12.62531422
  H     21.29774124      7.40750476    -13.42525883
  O     19.93794869      5.95994755    -16.24563957
  H     16.34710587      9.12318702    -13.37850977
  H     20.00288142      8.00134642    -14.02689885
  O     18.22222208      7.87231578    -17.19877840
  H     15.46138775      7.98781597    -12.73208800
  H     17.52734729      4.89766703    -12.85457645
  O     16.33330732      6.95321715    -15.41911918
  H     17.04488906      4.17567402    -16.65906570
  H     17.35393941      4.06278726    -14.15407509
  O     12.51096343      8.69507372    -14.17242428
  H     17.10514652      5.36056376    -15.68333398
  H     17.63268997      5.91705684    -10.45406756
  O     16.46347667      3.04063820    -10.70893626
  H     13.27577355      2.63069286    -10.52775372
  H     17.77574014      5.86703254     -8.91744799
  O     13.71709396      7.38454165    -16.27098356
  H     14.71712458      3.14042610    -10.77161141
  H     15.03681470      7.95530929    -18.85141406
  O     20.39051616      7.19849044    -13.63407339
  H     18.44530837      9.82934996    -14.64109439
  H     13.98928784      8.91037735    -19.47539287
  O     17.11278361      4.10400187    -13.21924107
  H     19.00141094      8.93208085    -15.75597439
  H     14.02238968      6.25495606    -12.89540073
  O     17.21649272      5.59050609     -9.63928808
  H     14.98707855      4.20480933    -17.35987697
  H     13.99958961      6.87591260    -11.48519569
  O     14.41241755      8.67780006    -18.65367543
  H     15.46703439      3.31544360    -18.53279844
  H     16.46284784     11.49981759    -14.31465219
  O     13.91870385      7.09407495    -12.42501663
  H     19.22580807      5.31299536    -16.14085630
  H     16.48039006     10.42695067    -15.42568718
  O     16.64968238     10.57926432    -14.47923032
  H     20.17340551      6.24194864    -15.35461506
  H     15.65266637      9.73361483    -17.65162929
  O     16.40605960     10.05817168    -17.14437636
  H     17.51519606      7.61203605    -16.58367061
  H     17.13246115      9.45708570    -17.35300561
          69
 Energy    -249.31723575516637     
  O     11.31481450      3.14808432    -12.85817260
  H     10.50079028      2.70284176    -12.63403499
  H     18.21252479      5.64484246    -13.67998621
  O     17.45763002      4.61616724    -10.16072705
  H     11.26926119      4.03150884    -12.45568407
  H     10.48201571      7.90271994    -14.62740969
  O     14.37836647      8.45183540    -11.84551016
  H     16.74814513      3.97500344    -10.04859502
  H     11.99461486      7.66166420    -14.42972090
  O     15.82276043      9.25578688    -16.00046531
  H     17.61588609      4.71273359    -11.10906210
  H     14.31201197      5.55319191    -10.66545989
  O     17.88708195      7.15710682     -9.29655968
  H     13.92367571      8.78952551    -11.06506993
  H     14.60756467      5.14413558    -12.15953928
  O     14.21395515      5.21147512     -8.84190371
  H     14.33190366      7.48308025    -11.77494109
  H     14.50606119      2.79060265    -12.62576899
  O     15.22465518      2.75275094     -9.69422918
  H     15.94255264     10.05232057    -16.51056269
  H     13.03131664      2.47915130    -12.29992433
  O     13.70738127      8.18901462    -14.50752594
  H     16.59535405      9.18137169    -15.41092692
  H     13.94448214      8.54589725     -8.91784044
  O     16.51843839      6.55729929    -16.76928561
  H     18.72263249      7.19534490     -8.83877345
  H     12.88970287      9.67389746     -8.83356325
  O     17.97291321      8.84032860    -14.40752276
  H     17.73325290      6.22129772     -9.52043032
  H     11.41204799      6.16511300    -10.08791415
  O     18.80052282      6.24247669    -15.33657950
  H     14.39207944      4.27325747     -8.97366024
  H     12.08606288      7.25620681     -9.23644127
  O     17.74285309      5.49783199    -12.84949485
  H     13.26085619      5.38781413     -8.85921975
  H     17.44671684      7.88856202    -10.94938453
  O     11.11562612      7.26678192    -14.30457568
  H     15.43525383      1.92313907     -9.27372526
  H     16.21393402      8.30229035    -11.80571334
  O     14.15427100      5.77818184    -11.59144967
  H     14.73689520      2.53519265    -10.50811920
  H     16.21430082      7.63274692     -8.54386484
  O     13.93484737      2.28817509    -12.02561159
  H     14.36219741      8.63029376    -15.06356990
  H     14.95979786      6.77003119     -8.34568703
  O     13.15719852      8.92179696     -9.35499166
  H     13.94137024      8.37814364    -13.58698468
  H     11.21549987      6.33006797    -12.68280883
  O     11.72997509      6.35970694     -9.19707180
  H     16.27656686      7.48785402    -16.69255618
  H     12.38430979      5.75496857    -11.83800752
  O     17.15099592      8.06978672    -11.85036772
  H     15.74844951      6.06680467    -16.44998149
  H     15.04916707      4.55738541    -14.20769985
  O     15.29058442      7.67872253     -8.27502239
  H     17.76356713      8.69036802    -13.47525494
  H     16.30141333      4.52184869    -13.28409685
  O     11.41965652      5.74205976    -11.94576631
  H     18.40893069      8.03598723    -14.71374365
  H     11.34328409      5.46310266    -15.04936924
  O     15.43373823      4.12306529    -13.43325493
  H     18.00473920      6.28385798    -15.89742368
  H     11.55786446      4.00570948    -14.59336790
  O     11.69389750      4.60975510    -15.33325419
  H     19.51786432      5.95953883    -15.89685323
  H     13.39755079      5.14180316    -15.55598394
  O     14.26269906      5.56598602    -15.46373672
  H     17.49314605      6.37395719    -12.52278353
  H     14.10366934      6.44597118    -15.09800596
          69
 Ord_Energy   -249.317017    
 O    4.19120979       10.4849873      -14.0623083    
 H    5.04531193       10.8749294      -14.2257710    
 H    3.90498447       10.0684452      -14.8954830    
 O    1.11602962       6.34242153      -9.65722942    
 H   0.802885056       5.55060911      -9.20053864    
 H   0.458159059       7.04298639      -9.56649399    
 O    1.52128375       11.4747019      -13.7095661    
 H    1.14292026       10.8422174      -13.0837030    
 H    2.46881962       11.2906399      -13.7344494    
 O   -4.32905865       6.40772676      -12.7382917    
 H   -3.48625112       6.41960001      -13.2251883    
 H   -4.98130798       6.80691147      -13.3076181    
 O   0.536583900       9.25156116      -12.2539330    
 H    2.33324300E-02   8.96968746      -11.4884882    
 H   0.141054943       8.86468697      -13.0471716    
 O   0.377325982       3.76450062      -8.74010086    
 H   0.804628968       3.28782272      -9.47634029    
 H   0.524825513       3.24764967      -7.95318079    
 O    1.51379693       2.55944061      -10.8790846    
 H    2.37578154       2.89885020      -11.1511784    
 H    1.03024673       2.37519169      -11.6932955    
 O    2.03535628       4.34186602      -13.8659220    
 H    1.48651791       3.54733896      -13.9042740    
 H    2.76542950       4.14362478      -13.2634449    
 O    3.12638211       9.24688721      -16.2397747    
 H    2.89361477       8.35633659      -15.9436951    
 H    2.29021382       9.70568752      -16.3894100    
 O   -3.91642785       3.57827449      -12.1968327    
 H   -4.24842453       4.47151184      -12.3467522    
 H   -3.25326610       3.66793776      -11.4979429    
 O   -1.76479864       4.23710966      -10.4929428    
 H   -1.19932258       3.96533632      -9.76160622    
 H   -1.16172147       4.56025219      -11.1779242    
 O    3.14332581       8.33579445      -12.5834723    
 H    2.25731778       8.65820885      -12.3617601    
 H    3.62220311       9.07474804      -12.9783401    
 O  -0.169619814       8.29039764      -14.8307629    
 H   -3.41156907E-02   9.08138943      -15.3653088    
 H   0.638578057       7.76011038      -14.9022732    
 O  -0.805603504       8.40046024      -9.89293480    
 H   -1.60068202       7.86282682      -10.0607891    
 H   -1.04955459       9.05539322      -9.24377728    
 O   -1.86123145       6.33972597      -13.9191952    
 H   -1.42537701       7.05602169      -14.3979292    
 H   -1.22967041       6.07655907      -13.2321205    
 O    3.63280582       6.23333931      -10.8285055    
 H    3.59906101       6.98779964      -11.4316330    
 H    2.83205628       6.29668522      -10.2902031    
 O   -2.91307425       6.79236317      -10.3217134    
 H   -3.51341534       6.78600979      -11.0767756    
 H   -2.58554459       5.88574171      -10.2471323    
 O   0.618557632       10.6499786      -16.1411743    
 H   0.900156796       11.0469065      -15.2970390    
 H   0.228738874       11.3479309      -16.6599827    
 O    2.26092362       6.93935204      -14.8463736    
 H    2.62522411       7.34969616      -14.0482140    
 H    2.20430136       5.99247074      -14.6672478    
 O   0.102764487       5.54089451      -12.1621656    
 H   0.788685083       5.14382696      -12.7118444    
 H   0.533441365       5.87810516      -11.3674526    
 O   0.321968645       2.16715169      -13.4879789    
 H  -0.512609959       2.61482024      -13.7170963    
 H   0.278365701       1.29909515      -13.8802824    
 O    3.89679670       3.77726102      -11.8536816    
 H    3.86577153       4.66518545      -11.4508963    
 H    4.80589485       3.49306583      -11.8300972    
 O   -1.93843174       3.48052168      -14.1421976    
 H   -1.89972866       4.42807531      -14.3125515    
 H   -2.68513513       3.36318445      -13.5367775    
          69
 Energy    -249.31687545036499     
  O     19.37684585      9.67030197    -12.44525567
  H     19.25216948      9.70734011    -13.40430592
  H     17.44375476     11.99988802    -16.90511427
  O     16.06034011     10.34020563    -11.58175192
  H     19.07645633     10.52195248    -12.10857998
  H     12.54173624      8.97188889    -16.97347194
  O     12.20214676      8.88328101    -13.81480753
  H     16.09599150     10.11462216    -12.52603331
  H     11.98233618      9.46133788    -15.61541459
  O     14.41775980      7.63765340    -14.89750143
  H     16.75284300     10.99315716    -11.43151912
  H     16.94989090      9.80434970    -14.59303090
  O     14.87612917      6.06823050    -12.67252965
  H     11.99974225      8.10667850    -13.27836837
  H     15.58997927      9.03003410    -14.59766125
  O     18.68006109      7.22869959    -11.52458550
  H     12.55924620      9.55667236    -13.21806281
  H     12.86961572     11.26448010    -16.81584402
  O     14.48963780     12.13601143    -14.35343593
  H     14.66599430      7.02497347    -14.19417407
  H     12.75230173     12.69481220    -17.39079944
  O     18.03070815      7.32602555    -16.32660479
  H     13.64944723      8.12745450    -14.56773327
  H     13.18409431      9.29240997    -10.80927770
  O     16.01042712      7.75084171    -10.74570014
  H     13.92829736      6.04262301    -12.49536757
  H     14.16455764      8.19674709    -10.31843600
  O     16.03353951     11.49285593    -17.68211868
  H     15.26010604      6.63690837    -11.98764983
  H     18.65574365     10.58012543    -15.68513341
  O     17.46466752      6.21567319    -13.89581130
  H     19.43459633      6.84856911    -11.08277850
  H     18.59357480      9.00289723    -15.69607081
  O     18.26267264     12.22224552    -16.42269279
  H     18.94748905      8.11895147    -11.81772207
  H     16.18472475     12.95954759    -14.05698118
  O     12.12009678      9.72112314    -16.53540628
  H     15.02142195     11.32689743    -14.41748752
  H     17.54448842     12.88356580    -14.78461981
  O     16.04081195      9.81769476    -14.27136599
  H     14.06152463     12.24720157    -15.21065406
  H     18.49781744     12.87610415    -11.10902416
  O     13.33987816     12.11064087    -16.91914235
  H     18.59740311      6.70646886    -16.78018590
  H     17.84028955     12.54630756    -12.46999573
  O     13.22829248      8.42236500    -10.39545455
  H     17.79645126      6.91272574    -15.47728004
  H     14.29970168     10.66596500    -11.78426305
  O     18.70584336      9.78373964    -15.13960828
  H     16.92308602      7.45126327    -10.83880947
  H     13.53251211     11.42085978    -12.85130612
  O     17.13086627     13.11804572    -13.94504191
  H     16.03924597      8.69189048    -10.98037649
  H     16.74047366      8.22416455    -17.42043228
  O     18.18323344     12.15438390    -11.64601674
  H     16.05992303     10.53574573    -17.83352288
  H     15.29073657      8.30700728    -17.94386315
  O     13.40314232     10.78782746    -12.13162376
  H     15.11896858     11.72201498    -17.48825681
  H     12.44725156      7.22777761    -11.38918693
  O     16.14476825      8.75493547    -17.96183871
  H     17.95796269      6.53545309    -13.12945788
  H     11.40384883      6.12246935    -11.68276656
  O     12.11521092      6.62069535    -12.07630503
  H     16.60662462      5.94433807    -13.55077181
  H     13.96879594      7.42983812    -16.57351515
  O     13.64445220      7.48059434    -17.49073418
  H     18.78670854     12.76496354    -17.00493725
  H     13.34640678      6.60610183    -17.72763638
          69
 Energy    -249.31671977999497     
  O     -7.81687440     -3.36334781      5.71074683
  H     -7.27513380     -2.79469615      6.26655604
  H     -4.19072416      0.74814361      2.50183333
  O     -7.98928137     -2.51749106      1.98132172
  H     -8.65733106     -2.90369005      5.56194801
  H     -7.80731826     -0.17871414      4.31807154
  O     -7.13356391     -4.69671095      3.50090932
  H     -7.79103293     -3.35462084      2.42254071
  H     -6.37405122     -0.77575272      4.07635857
  O     -4.97281585      0.62263934      0.84099271
  H     -7.73961390     -1.81704561      2.60689654
  H     -5.36670439     -2.01814396      7.77163106
  O     -6.89790540      1.06031054      7.07470024
  H     -7.32838375     -5.62157010      3.62010051
  H     -5.40449920     -1.56850672      6.29218778
  O     -5.33978446      5.14465862      2.01842846
  H     -7.36186498     -4.25096179      4.33928391
  H     -1.03744415      3.12922622      3.12815387
  O    -10.11180214     -1.94066653      5.10294494
  H     -5.06516353     -0.31135081      0.62230162
  H     -2.48109865      3.56025566      3.48929091
  O     -4.71224710     -1.36080489      4.70104982
  H     -5.87710289      0.94534320      0.98211983
  H     -8.97206073      3.23681702      3.80549743
  O     -3.82977048      3.23010833      0.80617932
  H     -6.52873426      0.17576714      7.18884738
  H    -10.34610782      3.64608035      4.38207142
  O    -10.60904889     -1.62659174      2.24931035
  H     -6.30553604      1.54285783      6.48186766
  H    -10.28724280      1.70775115      2.54684401
  O     -5.68442391     -2.12108981      0.44626064
  H     -5.36941181      5.92972687      1.47813876
  H    -10.45061056      0.27268528      1.97869524
  O     -3.79872525      0.85903041      3.37925390
  H     -4.83567715      4.47840093      1.51739122
  H     -4.87061220     -3.00658281      1.99648937
  O     -7.19000465     -0.49739752      3.64536171
  H     -9.84721027     -1.04076279      5.34418787
  H     -5.45010735     -3.93960497      3.07901589
  O     -5.93609248     -1.64248732      7.10422567
  H    -10.40757097     -1.88102406      4.18866510
  H     -8.35778506      0.80984119      6.12741218
  O     -1.95481404      2.93414870      2.95969208
  H     -4.61396369     -2.11579849      4.10163150
  H     -9.35968728      1.39305856      5.07294404
  O     -9.84186738      2.89693294      4.07410501
  H     -4.24177138     -0.61211713      4.31071379
  H     -4.24530280      4.90903312      3.60061655
  O    -10.21925774      1.17972142      1.74244889
  H     -3.07658205      3.12329854      1.40091194
  H     -4.27023884      3.90585466      4.76605452
  O     -4.68888615     -3.38390254      2.86481980
  H     -4.17117682      2.34131810      0.64598274
  H     -6.15940568      2.79197198      4.48849408
  O     -9.01409542      0.57765743      5.45195898
  H     -9.73365747     -1.99324803      2.04554458
  H     -4.92707446      1.85262035      4.49249740
  O     -3.69808910      4.53017883      4.29980150
  H    -11.24226966     -2.13900087      1.75128438
  H     -8.44902111      1.27807927      1.45369827
  O     -5.46131918      2.43211218      5.05221257
  H     -5.74013642     -2.55326769     -0.40336207
  H     -7.33370814      0.66647736      2.33640137
  O     -7.49467548      1.29286586      1.61220113
  H     -6.55112189     -2.23143156      0.86956002
  H     -7.33806591      2.78642978      2.56624499
  O     -7.30214256      3.52567062      3.19326765
  H     -3.05392739      1.46395393      3.27910143
  H     -6.71659097      4.18772615      2.80604124
          69
 Energy    -249.31610407050735     
  O     -5.66819090      0.16930909     -0.77760877
  H     -5.19053499      1.00784137     -0.70335053
  H     -0.24934643      3.93175236      4.21568021
  O     -5.58635009      0.38727161     -3.64843111
  H     -5.80460485     -0.11932049      0.13333278
  H     -1.50597135      4.65936263      2.10157944
  O     -5.49615563     -0.56077940      1.94025418
  H     -5.04053348     -0.37201420     -3.88394027
  H     -1.77162270      5.23097159      0.68050585
  O      0.74145826     -0.59221080      1.50079128
  H     -5.82058815      0.26648811     -2.71859125
  H     -3.34290877      2.28239410     -0.16467998
  O     -1.15328001     -0.70989856     -0.62004348
  H     -5.26625264      0.29520627      2.34407915
  H     -4.55223922      3.18614209      0.17340154
  O     -3.62534420     -1.76324382     -3.95146350
  H     -6.13508227     -0.97336876      2.51551189
  H      0.95820753      2.64924946      2.32335262
  O     -1.94365897      0.30440540     -3.13393056
  H      1.05827830      0.31936759      1.58306781
  H      1.30505951      2.48555946      0.84183860
  O     -3.78549085      2.41924717     -3.16708361
  H      0.29089663     -0.66265057      0.65009810
  H     -0.70662192      6.40295200     -1.26042995
  O      0.49422725      3.15419405     -0.68636481
  H     -1.87128790     -1.16025437     -0.15351823
  H     -1.30692565      5.10198286     -1.83921851
  O      0.23952373      1.98677198     -3.25405239
  H     -1.46113568     -0.48393654     -1.50681843
  H     -4.78779339     -1.38467193     -1.22617746
  O     -1.17346072     -1.30776531      3.22506463
  H     -3.68321919     -2.54650053     -4.49116244
  H     -3.82880317     -2.35848943     -0.53828107
  O     -0.41422015      3.64836005      3.31932018
  H     -3.83379262     -2.03290616     -3.03769290
  H     -1.70445529      0.48508508      3.26483799
  O     -2.17802993      5.06206314      1.53908210
  H     -2.41510054     -0.43656123     -3.53568983
  H     -1.88721669      1.52878504      2.12909312
  O     -4.22665203      2.54291782     -0.46567447
  H     -2.56976125      1.04254865     -3.10810718
  H     -3.87203714     -1.37849645      1.44220960
  O      1.46022615      2.09732671      1.71393944
  H     -3.98128629      2.58309303     -2.23240789
  H     -2.44414095     -1.75596723      1.90025611
  O     -0.98233530      5.52127911     -1.02203373
  H     -4.48155999      1.83258625     -3.49495735
  H     -1.53439739      0.89013604      0.04491114
  O     -4.27455090     -2.19235053     -1.37547771
  H      0.12215621      4.03920826     -0.79032575
  H     -0.98417130      2.33317430      0.08898049
  O     -1.96109619      1.39793089      3.08844476
  H      0.49880054      2.73976720     -1.55876339
  H     -5.31894957      5.05767706      1.78023226
  O     -3.05561248     -1.80883070      1.15521871
  H     -0.46363054      1.31660872     -3.24894414
  H     -3.84473411      4.60468291      1.64851160
  O     -1.72664860      1.78250499      0.36461669
  H      0.90803419      1.67691869     -3.86012784
  H     -4.83269991      2.65522117      2.63067863
  O     -4.76718494      4.29019855      1.65752156
  H     -0.41419695     -1.09653666      2.64850626
  H     -3.77823641      1.67693808      3.18426312
  O     -4.72761758      1.78625056      3.03518329
  H     -0.84634662     -1.87697127      3.91568349
  H     -0.93793177      3.53851466     -3.43232691
  O     -1.64108405      4.18092891     -3.28302631
  H     -0.96758984      2.85076650      3.37665026
  H     -2.46508667      3.67902274     -3.35603013
          69
 Energy    -249.31595494149127     
  O     12.75257854     11.85618508    -11.69724346
  H     12.81606630     11.46180353    -10.81935309
  H     18.48751173      7.99491651    -16.79690839
  O     19.38824517      6.36985171    -14.17069097
  H     12.39990345     11.16541088    -12.27194369
  H     17.35032628     13.15950067    -14.87604481
  O     18.58042912      9.97112309    -12.13946480
  H     19.04804136      6.63629408    -13.30591406
  H     18.54885961     12.29147698    -14.47933795
  O     12.39090762      8.25821667    -10.95070477
  H     18.65396044      5.93079008    -14.61676899
  H     10.96611764      9.43556185    -13.50972326
  O     15.59176008      6.55653767    -13.41530353
  H     18.78976721     10.14957538    -13.06605134
  H     12.00485019      9.04527868    -12.42952386
  O     14.34842052      6.19917479    -10.97915478
  H     18.47100025      9.01375952    -12.04845392
  H     16.79803647     10.23228413    -12.35451974
  O     17.01739999      5.54244456    -15.59253621
  H     12.60949250      8.90358854    -10.26671000
  H     15.58263999     11.18596410    -12.62223462
  O     14.91579845     12.86376265    -12.99657374
  H     13.04631499      7.55210026    -10.89909366
  H     15.75550149      6.99242902     -9.91240778
  O     16.24336220     10.07212409    -15.97657768
  H     16.01511347      6.11132469    -14.15987293
  H     16.31509540      8.35377423     -9.45649140
  O     17.92787476      7.28027690    -11.95522079
  H     15.12964961      7.33018945    -13.76994206
  H     19.98103765      7.59682375    -15.25773882
  O     15.59029540     12.80280115    -15.63709587
  H     14.77266958      6.25114686    -11.85174543
  H     21.06813934      8.11530097    -16.23062452
  O     17.56479969      7.79477231    -16.99808982
  H     14.15536781      5.27708355    -10.82468608
  H     17.65090122     13.65974171    -12.68478103
  O     18.12600787     13.14194506    -14.30280683
  H     17.15588647      6.33165579    -16.14721649
  H     17.55179957     14.80021479    -11.64596508
  O     11.86943041      9.57426682    -13.23821414
  H     16.91150427      4.80417463    -16.18630454
  H     17.73458828     12.54557061    -10.55672203
  O     15.83434570     10.27593963    -12.41899047
  H     15.55925729     13.32809526    -12.44615266
  H     18.35883369     11.14968251    -10.68128734
  O     16.55138554      7.42541823     -9.58026048
  H     14.12671822     12.64341614    -12.47792933
  H     17.92404925     10.29885370    -15.20861071
  O     20.18222407      8.28171709    -15.92113018
  H     15.99852661     11.00536736    -16.00450393
  H     19.39251543      9.80482596    -15.24169242
  O     17.24411983     13.91785228    -11.83786275
  H     15.56116592      9.62831182    -15.45317505
  H     12.87267480     10.62314860     -8.32950923
  O     17.96441850     11.76210513    -10.04379368
  H     17.61518127      7.27481393    -11.03875837
  H     14.07604999     10.34516451     -9.26115702
  O     18.80834087     10.46807259    -14.85403167
  H     17.14876559      7.09195269    -12.49474489
  H     15.64559083     10.09426214    -10.61336367
  O     13.10532632     10.40743114     -9.22862330
  H     15.25662041     12.83892939    -14.72321920
  H     16.52622883     10.75425399     -9.55080480
  O     15.76637300     10.16393173     -9.65467688
  H     15.07570713     13.42657522    -16.14283093
  H     14.92322522      9.35857936    -13.53918440
  O     14.41022056      8.90333809    -14.22978091
  H     17.06522683      8.59649892    -16.79517613
  H     13.48476194      9.10440456    -14.04982435
          69
 Ord_Energy   -249.315643    
 O   -4.33600712       2.85647774      -2.60832739    
 H   -5.14126587       2.44579244      -2.94584751    
 H   -3.60551023       2.27957439      -2.88261628    
 O  -0.921764255      -1.56920838     -0.677517116    
 H  -0.231958494      -1.19927752      -1.25887847    
 H  -0.535805166      -2.32253337     -0.238634571    
 O    1.13521373      0.629566193      -4.98140574    
 H   0.925770581       1.57445967      -4.87742329    
 H    1.97802269      0.592437029      -5.42833138    
 O  -0.367703885       2.08534622      -1.66758788    
 H  -0.990144134       1.82531214      -2.36567950    
 H  -0.142477065       3.00827122      -1.82340658    
 O   -2.73006034       6.15785599     -0.504319906    
 H   -3.24412370       5.62742901      0.116888002    
 H   -1.81997490       6.11461258     -0.186589867    
 O   -1.15559411      -7.14657381E-02  -6.51474142    
 H  -0.367600858       5.78803010E-02  -5.97164679    
 H   -1.66708338     -0.783968031      -6.11179924    
 O   -1.91285348       4.55436850      -5.62631893    
 H   -2.22847128       4.80805111      -4.74314928    
 H   -1.95523667       5.34085369      -6.16524744    
 O   -1.27011657       3.54375243       1.71335173    
 H   -1.31487691       2.61542320       1.45552933    
 H   -2.18521452       3.85190654       1.74365246    
 O   -3.98378396       4.37642765       1.39311433    
 H   -4.68703270       4.53048086       2.01881909    
 H   -4.18202877       3.53293228      0.952548563    
 O    3.18644494E-02   4.73353291      -2.33704591    
 H  -0.894005835       4.86826897      -2.58496714    
 H   0.133995861       5.09641218      -1.44745684    
 O   -5.20447350     -0.301300555      -1.40854216    
 H   -5.72688913      0.136336818      -2.09312916    
 H   -4.99945498      0.382392019     -0.759853721    
 O   -2.91124058       1.94586587      -6.09054470    
 H   -2.22513509       1.34473777      -6.42460585    
 H   -2.56908798       2.84575415      -6.06977510    
 O   0.850564182     -0.309431374      -2.29225349    
 H   0.607194066      0.570345700      -1.96778953    
 H   0.980394423     -0.181434482      -3.23861313    
 O   -1.67034745       1.00493777      0.440178961    
 H   -1.49500585       7.11622164E-02  0.288357079    
 H   -1.19195080       1.46900153     -0.267451763    
 O   -2.27747178       1.25993156      -3.43351221    
 H   -2.43032193       1.39340448      -4.37716293    
 H   -2.49800396      0.347210050      -3.20675302    
 O   -6.41337919       1.18987632      -3.52389550    
 H   -7.32326174       1.28013921      -3.79261684    
 H   -5.93608046      0.792857289      -4.27545023    
 O   -4.95088959      0.169165537      -5.54382467    
 H   -4.35494089      0.871433616      -5.84426785    
 H   -4.41110849     -0.628111124      -5.51849222    
 O   -2.95919347      -1.31999028      -2.58922100    
 H   -2.29551554      -1.49595213      -1.91139507    
 H   -3.77914929      -1.05127561      -2.14615822    
 O   -2.71253705       5.06734037      -3.02317452    
 H   -3.34148121       4.34071445      -2.91004133    
 H   -2.77454567       5.59120417      -2.21046114    
 O   0.524233222       3.29681087      -4.74925852    
 H   0.595414281       3.79705882      -3.92672753    
 H  -0.236700475       3.68129158      -5.19930553    
 O   -3.97484191E-02   5.55136299      0.344662040    
 H   0.549977541       6.01856804      0.930281103    
 H  -0.397680998       4.79978085      0.849817276    
 O   -4.24203587       2.00322604       4.28053401E-02
 H   -3.36690450       1.61466765      0.191626042    
 H   -4.26219797       2.35216355     -0.860920966    
 O   -2.97826982      -1.93158364      -5.25158501    
 H   -3.09159541      -2.86438751      -5.41696310    
 H   -2.96001983      -1.82002354      -4.28598642    
          69
 Energy    -249.31562009893014     
  O     -9.58578522      1.54816394      2.90924051
  H     -9.16744735      0.72134050      2.61842668
  H     -4.68484764     -0.92243935      1.75007305
  O     -6.18280542      0.48157817      6.53195377
  H    -10.10007479      1.34660044      3.70533890
  H    -11.83255329      1.35245577      5.20565324
  O     -8.44667880     -2.61337033      4.56362687
  H     -5.95907721     -0.36427726      6.11606592
  H    -10.50638232      1.68212710      5.94548787
  O     -7.87705528      4.34198117      6.06500799
  H     -6.66128467      0.99013075      5.85913725
  H    -11.61639387      5.32587560      5.08114767
  O    -13.39263732      2.29207239      4.86460416
  H     -8.89368108     -2.11371716      5.26991876
  H    -12.03596573      6.54174579      4.22223638
  O     -7.38678392      2.03406190      4.60204352
  H     -8.82606914     -3.48797694      4.56494941
  H    -11.14780247      2.87462218      2.62166852
  O     -8.24358148      0.57103128      8.31431665
  H     -6.96646540      4.60300080      6.25146819
  H    -11.68469728      4.22725525      3.14930428
  O     -9.76705240      2.72098841      7.24434190
  H     -8.19228024      4.88737515      5.32889219
  H     -8.35551308     -1.41040400      3.10946083
  O    -12.01374450      4.26818479      6.42329192
  H    -12.97518498      2.66501806      4.06628497
  H     -7.24420180     -0.71157340      2.31296205
  O     -5.85873454      5.91137780      3.60125267
  H    -14.28100311      2.04437493      4.62519707
  H     -8.61733832      5.11647875      3.08297910
  O     -5.06412124      1.96556747      3.12919588
  H     -8.14717467      1.83828525      4.04441481
  H     -9.61033753      5.90660010      3.97453083
  O     -5.32380104     -0.66090392      2.40816334
  H     -7.56669921      2.85960650      5.07030862
  H     -5.18440543      4.63345223      0.77552622
  O    -10.90986202      1.08570436      5.29752000
  H     -7.97302553      0.34377755      9.20027497
  H     -5.60263052      4.84601727      2.24983377
  O    -11.42481802      5.81030075      4.25873166
  H     -7.44605598      0.52956165      7.75820052
  H     -9.20628762     -0.66647604      7.16649711
  O    -11.95454473      3.35891881      2.82433107
  H     -9.29358899      2.03529978      7.73116140
  H    -10.20205538     -0.44503153      6.01649802
  O     -8.20053684     -0.73708995      2.43440266
  H     -9.09978116      3.34052179      6.91311648
  H     -6.64501051     -2.16149316      4.90810584
  O     -8.67246009      5.73246495      3.83181290
  H    -11.30314796      3.78702085      6.86600234
  H     -5.51060775     -1.46338402      4.14475155
  O     -5.54957752      4.18631012      1.53421746
  H    -12.59933166      3.59938380      6.04619290
  H     -4.74841312      1.73117640      6.22107848
  O     -9.66844858     -1.12240844      6.45483964
  H     -6.81151756      6.04893947      3.69182527
  H     -4.27168708      2.26397088      4.86004017
  O     -5.77008254     -1.76810055      5.02287547
  H     -5.53826736      5.65263716      4.47336050
  H     -7.48160604      3.84076962      1.60649256
  O     -4.22886938      2.43402815      5.80992706
  H     -5.88644387      2.00313080      3.64371022
  H     -8.73163485      3.03201390      2.05858677
  O     -8.42137902      3.91124165      1.81092282
  H     -5.10574102      2.70028846      2.50441154
  H     -4.59326396      5.41233077      6.84359519
  O     -5.14973790      4.95304638      6.22034072
  H     -5.14382636      0.27054959      2.61886704
  H     -4.76831556      4.06485900      6.10412960
          69
 Energy    -249.31529379800037     
  O     15.30365322      9.88188063    -15.97615593
  H     14.77429650      9.67209207    -15.19881794
  H     14.76163879      1.99794035    -16.13095049
  O     14.01912430      5.51061312    -16.15012644
  H     16.15827556     10.18642677    -15.64684469
  H     18.68364760      3.90005741    -15.03087278
  O     17.96228679      6.57253543    -11.87098079
  H     14.24701204      4.57262530    -16.19899786
  H     19.41328303      4.33798420    -16.31714384
  O     18.99224335      4.56043483    -18.16911577
  H     13.99921814      5.83124120    -17.06150020
  H     17.73503708      6.91089300    -16.70750827
  O     16.33212964      4.15793803    -18.52784297
  H     18.78411131      6.38342965    -12.33701508
  H     18.68977817      6.38383045    -17.79570367
  O     14.08883297      9.07744984    -10.64343301
  H     17.54649504      7.29165294    -12.37606048
  H     16.64248984      7.13524964    -14.75103393
  O     13.72456563      6.15545695    -13.46945468
  H     18.04736210      4.38763961    -18.33088850
  H     15.69605855      6.29832846    -15.67920769
  O     16.78702598      8.42700812    -13.42144341
  H     19.46884404      4.18258765    -18.90341966
  H     13.81659271      5.52362740    -10.02617631
  O     16.87229950      3.83613021    -14.52113006
  H     15.71435769      4.87278802    -18.72485138
  H     14.22685902      4.49608821     -8.94246469
  O     12.69888173      6.57004577    -10.87995950
  H     15.89908671      3.61160946    -17.86108622
  H     13.83024867      6.44490404    -19.54874582
  O     19.71872833      8.52526962    -15.38938456
  H     14.86619292      8.56113036    -10.36565938
  H     14.93107597      7.06516926    -18.65366930
  O     15.06449100      2.88306165    -16.31418545
  H     13.98775091      9.78119763    -10.00790971
  H     21.09595618      6.12251292    -13.36762558
  O     19.51728998      4.25968680    -15.36114770
  H     13.66936594      5.90443155    -14.40072639
  H     19.97960423      5.54711604    -14.26301343
  O     18.34688681      7.19582862    -17.40603212
  H     14.48343303      5.69093919    -13.09091843
  H     16.62019308      5.36413924    -12.03435503
  O     16.61286834      6.42619236    -15.40567166
  H     15.84687946      8.64528430    -13.37605996
  H     15.44228423      4.69234762    -11.28103235
  O     14.56833658      5.02511801     -9.65767595
  H     17.23616613      9.17921420    -13.82691505
  H     15.68682138      6.60142578     -9.63925651
  O     14.40311955      6.25957258    -18.81032195
  H     16.52910057      3.93623223    -13.62320492
  H     16.88945671      7.19602589    -10.39462051
  O     20.18926106      6.25870559    -13.63300563
  H     16.89675234      4.73834605    -14.88132154
  H     13.86875891      7.98814398    -13.53693699
  O     15.85866460      4.77484380    -12.14688003
  H     13.00153162      7.47661755    -10.74408323
  H     13.99711584      9.14572860    -12.52365148
  O     16.12971779      7.43331774     -9.84898061
  H     12.85065701      6.38508403    -11.81728036
  H     18.35138715     11.33066819    -14.77132727
  O     14.09041423      8.92803358    -13.46074480
  H     19.36692601      8.09693334    -16.18327969
  H     18.64408754      9.84766770    -15.10299916
  O     17.93653380     10.47937609    -14.87755405
  H     19.89988784      7.81765228    -14.76084158
  H     16.82222210      8.11098459    -18.08302485
  O     15.90979722      8.38284931    -18.24090178
  H     15.74069837      3.09726163    -15.64779939
  H     15.64897930      8.93932078    -17.49270258
          69
 Energy    -249.31514980098643     
  O     16.45689598     11.22343931    -12.51832756
  H     16.79871150     10.32321786    -12.46597032
  H     13.79476611     12.38673094     -9.70240558
  O     18.62022862      7.02914652     -8.92288400
  H     16.58497179     11.59687718    -11.63812376
  H     12.92815451      8.97144747    -15.36137022
  O     12.40534102      5.25003176     -9.89777731
  H     18.88364931      6.84771334     -9.83299107
  H     13.55741453      8.70027438    -13.97630500
  O     16.77569299      4.70463492    -11.10934506
  H     18.18204919      7.89192465     -8.93650292
  H     19.53296307      5.88201702    -12.21120908
  O     16.90135539      5.03755414     -8.28583119
  H     13.06792777      5.54381850     -9.24294546
  H     18.13680072      5.70026363    -11.56420779
  O     17.13442084      8.52672411    -11.91215551
  H     11.86776412      4.58945629     -9.46971646
  H     15.17497548      5.72135440     -8.18012542
  O     16.84791023     12.06320134     -9.77527765
  H     16.74305358      4.71238754    -10.14364280
  H     14.37420146      7.04830537     -8.12449219
  O     10.69781654     10.06342931     -8.85820036
  H     15.87520988      4.85551802    -11.41654639
  H     11.91200341     11.93311647    -11.22450891
  O     17.07517344      9.33554511     -9.22776273
  H     17.53338248      5.76389919     -8.43405036
  H     13.22351562     12.02351423    -12.07969860
  O     13.62377874      9.28888846    -10.75130135
  H     17.29268162      4.46399965     -7.63232727
  H     10.72092247      8.67413879    -12.06038038
  O     11.31292765      7.82360427    -10.49017680
  H     17.80655671      7.83674645    -11.96112532
  H     11.30740801      9.29641681    -13.35433575
  O     14.32619152     12.43230492     -8.89296617
  H     17.06932661      8.78347674    -10.98089865
  H      9.35704596     12.04509416    -11.56551562
  O     12.88709989      9.22689728    -14.44264967
  H     17.36308775     12.83907378     -9.57138723
  H     10.19178204     10.77216425    -11.84727378
  O     18.86069119      6.33603560    -11.71119196
  H     15.95299324     12.22146476     -9.42369368
  H     12.36633290     10.96553569     -6.32760641
  O     14.28458958      6.08995909     -8.21780698
  H     10.77988721      9.19833682     -9.27962062
  H     11.98947111     10.51679430     -7.75679984
  O     12.87449424     11.94926938    -11.17779529
  H     10.41026530     10.65877036     -9.56089851
  H     13.48640915      5.20155404    -11.33363730
  O     10.55247764      9.32612105    -12.75456183
  H     16.24035467      9.15370475     -8.77430564
  H     13.77530509      4.55828034    -12.70658447
  O     10.09613976     11.53436309    -11.24759340
  H     17.11224865     10.29152938     -9.36189062
  H     14.89190107     11.60653111    -13.34867523
  O     12.73838856     10.74120271     -7.17620220
  H     13.40610973     10.21261389    -10.93548748
  H     13.63726832     10.97406929    -14.01453260
  O     14.10578476      5.19944351    -12.08053065
  H     14.03540508      8.90033005    -11.53111107
  H     14.24294388      9.00007313     -9.13991023
  O     13.98444337     11.79032555    -13.63945887
  H     12.13402029      8.33680482    -10.56429605
  H     13.99746636      9.45008729     -7.68765936
  O     14.53299037      8.85448961     -8.22426445
  H     11.57454346      6.92132917    -10.28272976
  H     15.58977673      8.04584419    -12.63916175
  O     14.68292980      7.83782186    -12.90918868
  H     13.83240799     11.93878904     -8.22981679
  H     14.49706930      6.92971022    -12.64157710
          69
 Energy    -249.31510664242489     
  O     11.53647023     11.54875693    -15.86462244
  H     10.74104988     11.93716915    -15.51056456
  H     16.16363100      8.14876041    -18.38118070
  O     14.01524438     10.11129575    -19.82710816
  H     11.78430633     10.81961407    -15.26902612
  H     14.87080582     10.59737183    -12.67886433
  O     11.67034778      7.26724188    -17.03491344
  H     13.67879959     10.21579523    -20.71281439
  H     13.59708891      9.77591831    -13.00956285
  O     13.47038397      8.34637738    -10.22895844
  H     13.23991377     10.03682801    -19.23882879
  H     16.98496459      8.15482776    -14.29160724
  O     14.32513071     12.00006291    -16.05616920
  H     12.43669055      6.70096030    -17.18011611
  H     17.74984047      9.40904353    -14.83981661
  O     18.25257271     11.43808945    -17.65590857
  H     11.41214668      7.11979485    -16.11676663
  H     14.79310161      5.50143841    -11.05904987
  O     15.73568578     11.93227694    -18.45300696
  H     13.77265986      8.95851626    -10.92027034
  H     14.73039513      6.89532616    -10.40527964
  O     18.32120590     11.20754910    -14.87576651
  H     13.32628752      8.87137791     -9.44536676
  H     14.24726003      5.01343555    -17.82493844
  O     13.58786039      4.43390941    -12.11075289
  H     13.36297618     12.05926576    -16.02481217
  H     14.57218693      6.52114988    -17.75441485
  O     11.97475478      9.80849711    -18.12085776
  H     14.53311428     11.05227046    -16.08563133
  H     15.32925896      8.40977422    -12.85010119
  O     14.79930603      9.25037570    -16.02141437
  H     18.84904340     11.88452102    -18.25123741
  H     15.83086250      7.07545392    -12.24320627
  O     15.21867479      7.96370864    -18.50113705
  H     17.35023158     11.63890045    -17.96553091
  H     12.22291179      5.70706814    -11.57055248
  O     14.31313429      9.87064583    -12.36514666
  H     15.21631891     12.13956473    -17.66372176
  H     12.18231419      7.13962179    -11.01354019
  O     17.36738847      8.55702514    -15.08443393
  H     15.18290209     11.35416507    -18.99171258
  H     14.26948082      5.78587118    -15.40835734
  O     15.34395501      6.22319105    -10.73013573
  H     19.16280811     11.53268114    -14.56406918
  H     14.76963735      6.46553041    -14.08532238
  O     14.15786271      5.78562437    -17.27147267
  H     18.31053335     11.33788133    -15.83778732
  H     18.02859439      9.51194296    -17.90545052
  O     15.81575221      7.60027665    -13.05604741
  H     13.50924942      3.49044444    -12.22710058
  H     17.75012413      8.39657810    -16.89286881
  O     11.65490520      6.48330703    -11.48477807
  H     13.79652861      4.80644778    -12.98342105
  H     13.29617058      9.30346904    -15.02752341
  O     14.15663510      5.81200949    -14.45041338
  H     11.80326854      8.92467953    -17.76312145
  H     12.09696411      8.60504296    -14.32155893
  O     17.79443747      8.57929585    -17.84275856
  H     11.73056865     10.43935613    -17.43625036
  H     11.38950466      6.79098000    -13.26180140
  O     12.54155199      9.45509328    -14.43706544
  H     15.66618927      9.05319439    -15.64527658
  H     12.44589626      6.49903552    -14.33929427
  O     11.57555537      6.90128212    -14.20514169
  H     14.79383685      8.85797640    -16.90202445
  H     15.25881378     12.05318636    -14.40980264
  O     15.78740549     11.80641006    -13.63902344
  H     14.84906122      8.63732808    -19.08451356
  H     16.68085354     11.67467706    -13.97487100
          69
 Energy    -249.31433120262449     
  O     -6.92593233     -1.20523162      7.05332589
  H     -6.09455567     -0.72314410      6.99374212
  H     -4.54585530      0.73009864      1.27571722
  O     -9.46445858     -2.64973650      3.73024367
  H     -7.62936076     -0.54334581      7.13152641
  H     -6.84190890      1.01964393      4.35462429
  O     -7.41302815     -3.35209739      5.53742201
  H     -9.06225066     -2.82126027      2.87992294
  H     -8.17609104      0.22863759      4.18185692
  O     -5.87733115      0.26500879      0.08858651
  H     -8.82134479     -2.95537709      4.38726820
  H     -4.18287025      0.00293434      5.80833725
  O     -5.99566326      2.28546131      5.41391912
  H     -7.25790563     -2.58942458      6.12659768
  H     -3.76275983      0.29396885      7.27010439
  O     -5.92053877      4.84214920     -0.56573005
  H     -7.33337185     -4.13470581      6.07492276
  H     -2.69383304      3.52790825      0.50765036
  O     -8.94261966      0.68101164      7.02141517
  H     -5.92726239     -0.69549973      0.18799926
  H     -1.42783836      2.86056456     -0.08295975
  O     -3.78316097     -0.52796258      4.20510938
  H     -6.70797213      0.62779930      0.42476780
  H     -8.56317178      3.98545985      3.11957811
  O     -4.81903969      2.46823163     -1.29890436
  H     -6.73616529      2.68340763      5.88870144
  H     -9.80383733      3.11554208      3.39526023
  O     -9.97169554     -0.06445701      4.54399426
  H     -5.50965506      1.69670170      6.00533208
  H     -9.78749894      1.51401389      1.89362095
  O     -6.01602881     -2.41908091      0.73882856
  H     -6.10544517      5.37177253     -1.33640516
  H    -11.31229391      1.71601636      1.73067618
  O     -3.84934229      1.05256763      1.86460508
  H     -5.57732218      3.98871409     -0.88736882
  H     -6.46684408     -1.19415008      3.56735486
  O     -7.29985837      0.37576172      3.80057069
  H     -9.45724331      0.40576588      6.24946952
  H     -6.39687729     -2.62302455      4.15774822
  O     -4.50881115      0.30295970      6.67682645
  H     -8.80319117      1.62806941      6.91227222
  H     -8.58950420      4.18816452      6.87279404
  O     -2.33985804      2.69778871      0.14042553
  H     -3.68288440      0.03302930      3.42526982
  H     -8.69809777      3.55929193      5.46419833
  O     -9.20428215      3.74973082      3.80315213
  H     -4.43848988     -1.19379666      3.95916005
  H     -4.00634456      4.47939830      1.98203918
  O    -10.61864307      1.64202209      2.38115199
  H     -5.20930888      1.65229379     -0.95745046
  H     -4.36228819      5.04117269      0.59407079
  O     -6.03054404     -2.05567218      3.46935800
  H     -3.91360545      2.48627268     -0.96570755
  H     -5.23296599      3.04883132      3.99542674
  O     -8.35802287      3.41488262      6.36548726
  H    -10.35562005      0.46664362      3.83659895
  H     -4.56575666      2.50511074      2.70584308
  O     -3.61853319      4.86289129      1.18249004
  H     -9.94180315     -0.98610850      4.24718484
  H     -7.79593572      2.34422586      1.41213634
  O     -4.92764120      3.30399993      3.11450505
  H     -5.98095504     -2.36109683      1.70760314
  H     -7.75502505      1.01451086      2.21098161
  O     -8.06110969      1.41330279      1.38029323
  H     -5.50465603     -3.18892559      0.50137355
  H     -6.43900399      3.79937555      2.28676576
  O     -7.23199492      4.02094264      1.77460779
  H     -3.20412025      1.50564625      1.30714257
  H     -6.91740596      4.40993025      0.94954204
          69
 Energy    -249.31379582847677     
  O      0.62859785      0.43992409      2.44379700
  H     -0.27809937      0.14895103      2.26450393
  H     -3.39917351      3.05922134      1.05530370
  O     -3.02194452     -2.50818950     -2.68466021
  H      0.57151470      1.40241703      2.39472042
  H     -2.04562674      2.34488407      4.62667027
  O     -0.13372427      0.05907355      5.12608227
  H     -2.23873847     -1.94715389     -2.60633387
  H     -1.44883601      3.33780097      5.65365626
  O     -4.67487647     -1.44192658     -0.75335216
  H     -2.79019799     -3.32133407     -2.21946135
  H     -0.68072064      3.15395039     -0.55290821
  O     -2.16379384     -4.57570862     -0.85603244
  H     -0.45682422      0.95878119      5.25028996
  H      0.41948892      3.09379780      0.48073091
  O     -0.25761869     -2.92212354      0.27085289
  H      0.31608445      0.07792111      4.27088386
  H     -3.48266013     -0.05710077     -0.65092518
  O     -4.19179915     -0.87036257      4.82906302
  H     -4.25817581     -1.76591293     -1.56565324
  H     -1.99588338      0.08089427     -1.04728219
  O     -0.23568215      3.10618757      2.30570351
  H     -4.44456376     -2.08973344     -0.07463220
  H     -2.30959186      0.13205216      1.14618643
  O     -0.77331606     -1.00678002     -1.79149781
  H     -1.41492940     -4.05828481     -0.51361656
  H     -2.51529016      0.48845277      2.65576103
  O     -5.09892594      2.58323953      1.92666317
  H     -1.82469059     -5.44508056     -1.05483021
  H     -3.48391961     -3.98867357      0.41714846
  O     -3.41455175      1.55530756      3.90027718
  H     -0.67515509     -2.90200724      1.14225691
  H     -3.16373726     -3.24294024      1.72201932
  O     -2.53844433      2.98881139      0.62865248
  H      0.57398876     -2.42945063      0.35028778
  H      1.53142924     -0.61734082      1.23657505
  O     -1.21334470      2.72180684      4.96472252
  H     -4.69800008     -1.41904330      4.21823626
  H      1.83443210     -0.53267377     -0.26337717
  O      0.25626907      2.95784587     -0.46198943
  H     -3.40298028     -1.37172672      5.07037729
  H      1.01732667      1.55425862     -1.23601098
  O     -2.71191320      0.51910812     -0.56752936
  H     -1.06467501      3.07290219      1.80335879
  H      2.02735784      1.07773786     -2.30148765
  O     -2.06050962     -0.10612708      2.04771723
  H     -0.48309581      3.11584351      3.23765875
  H     -1.11372867     -1.36334940      5.34780000
  O     -3.88932240     -3.46301816      1.11667013
  H      0.00022589     -0.43351670     -1.86402872
  H     -1.43166838     -2.61546800      6.19626812
  O      1.80724697     -1.14994267      0.47650120
  H     -0.58887535     -1.64233922     -1.08643460
  H     -1.66024985     -2.72490450      3.60615223
  O      1.40152647      0.76450043     -1.65334787
  H     -5.86153093      3.15569899      1.92825690
  H     -1.90347656     -1.76529094      2.42616092
  O     -1.68443628     -2.15135019      5.40279032
  H     -5.41199897      1.70546008      1.64210506
  H     -5.13511112     -2.80600098      2.25333069
  O     -1.74941455     -2.69991789      2.64755004
  H     -3.78457490      0.74782244      4.29166146
  H     -6.46127334     -2.86333745      3.03893540
  O     -5.70159638     -2.31118800      2.86660102
  H     -4.06894648      1.95193350      3.31271172
  H     -5.92298201     -0.63004892      1.90376840
  O     -5.89857013      0.08104512      1.25369983
  H     -2.59338446      2.16884868      0.11420285
  H     -5.63486023     -0.34620864      0.42814668
          69
 Energy    -249.31361724709291     
  O     15.98994071      3.64850847    -10.74890829
  H     15.66213006      3.78803067     -9.85027925
  H     16.95354237      8.23381314    -17.78494213
  O     18.67553641      9.13966089    -12.36720887
  H     15.35392470      3.12737535    -11.25546978
  H     17.17630531      7.28483001    -14.37341189
  O     13.32450100      7.88806722    -12.20508651
  H     19.47567358      9.64675542    -12.25546610
  H     17.75710549      8.63679362    -13.89375883
  O     12.20355353      6.90565760    -16.50904001
  H     18.76356882      8.35280093    -11.80106620
  H     12.67151142      6.67846974    -13.34092382
  O     16.19670637     10.31967487    -11.44360121
  H     12.89998849      8.15520458    -11.38146846
  H     12.24489307      6.24029957    -14.77415548
  O     16.56355395      6.87289534     -9.12671932
  H     14.08030658      7.33456252    -11.95121418
  H     16.07538808      6.28091349    -12.39164319
  O     18.82368321      6.92999247    -10.78825691
  H     12.69636406      7.74554756    -16.47084382
  H     15.44073535      5.39608569    -11.31050106
  O     12.24126529      4.27661642    -11.60711077
  H     11.45575712      7.05131507    -17.08205007
  H     19.03867649      3.52059271    -11.74451369
  O     14.70183530      5.55096886    -17.00559756
  H     17.06462830      9.98306430    -11.69279315
  H     17.60711819      3.98465480    -11.38289675
  O     15.12660743      4.53217826     -8.25762752
  H     15.66140187     10.27370231    -12.24485772
  H     13.38999998      8.75665733     -9.38960531
  O     13.77282915      9.10237696    -16.41011716
  H     16.19188551      6.11972139     -8.65427996
  H     11.87506049      8.98171485     -9.15728018
  O     16.29435898      7.96921313    -17.14800756
  H     16.17363045      6.83538209    -10.01472411
  H     12.69796501      6.53099712     -9.34256184
  O     17.17604884      8.23784760    -14.55350479
  H     18.17645213      6.95069359    -10.06988279
  H     12.58675266      5.15347620    -10.06053781
  O     12.44799078      5.91195255    -13.88992611
  H     18.80701720      6.02915604    -11.12902628
  H     15.56758027      9.09850032    -14.06304808
  O     15.47956509      6.30488073    -11.63355459
  H     12.13833831      4.82225732    -12.39831615
  H     14.22058432      9.03828711    -13.27724555
  O     18.43070683      4.25069325    -11.82729961
  H     12.81033892      3.54736958    -11.87364294
  H     15.41810138      9.70515008     -9.92901419
  O     12.50064624      8.41093349     -9.59390598
  H     13.81699274      5.93582410    -16.95903650
  H     15.61145262      8.52203902     -8.95537773
  O     12.90137044      5.59330584     -9.25704326
  H     15.30302673      6.29739082    -17.11509552
  H     17.61507577      5.07387233    -13.29220905
  O     14.77519513      9.60412604    -13.83505273
  H     14.96719371      4.18163632     -7.38630270
  H     16.27417217      5.10117362    -14.10897466
  O     15.01761144      9.24966828     -9.17318457
  H     14.28545692      4.92384007     -8.56371201
  H     14.07405655      1.60189680    -12.97038727
  O     17.05165118      5.61882193    -13.85519234
  H     14.60666457      8.81724232    -16.80369387
  H     14.44730725      3.04979324    -13.36329544
  O     14.27582631      2.46094609    -12.60815277
  H     14.00279007      9.42970186    -15.52985244
  H     13.92040188      4.89948546    -14.22487503
  O     14.66219787      4.36626924    -14.54831315
  H     16.68113915      8.11981698    -16.26950538
  H     14.75947589      4.60870761    -15.48130336
          69
 Energy    -249.31352423965927     
  O     11.02580805     10.79042174    -12.39440668
  H     10.21729282     11.20812057    -12.11062996
  H     14.79292799      6.76387305    -18.02246171
  O     15.82692137      7.46672794    -14.73381407
  H     11.75543680     11.38287869    -12.13596161
  H     18.75875618      8.86381569    -14.61627991
  O     17.85632500      9.67721103    -11.57961325
  H     15.41625997      8.32358731    -14.53362923
  H     18.23190582      9.52767116    -15.91158131
  O     16.66348367     13.18597205    -14.18314767
  H     15.60685089      7.26924272    -15.64906303
  H     14.25775925     15.13068974    -13.55436683
  O     12.63530601      7.80135039    -16.04699666
  H     18.27257491     10.43904683    -12.00094815
  H     15.12338456     13.86488875    -13.74527522
  O     17.00291090      7.96280354     -9.55062021
  H     17.96549487      8.94060515    -12.20025939
  H     14.84197251     10.15302811    -13.28571745
  O     14.68634521      6.04115293    -12.65768948
  H     16.44402807     12.67538362    -14.97587119
  H     13.76587368      9.97978800    -14.40740951
  O     15.15057588     10.41287960    -11.52759980
  H     17.41830801     12.73970184    -13.78616953
  H     11.50244664      9.04157023    -11.92503126
  O     17.04527468      9.35224218    -17.49355938
  H     12.32766866      8.68051607    -15.78623665
  H     12.55204073      8.14397562    -11.21181622
  O     17.30408578      5.78695127    -11.45220721
  H     12.44790708      7.22275808    -15.29825990
  H     11.88681804      6.93235259    -13.02944271
  O     15.73224582     11.49725840    -16.19104977
  H     17.42142117      8.11040537     -8.70595538
  H     11.31419931      5.64011928    -13.65504524
  O     14.94045215      7.47518505    -17.40465093
  H     17.37145963      8.62115554    -10.16204798
  H     19.77650481     12.04309246    -13.30664356
  O     18.80890077      9.66650728    -15.15355874
  H     13.77946363      5.90958418    -12.95923754
  H     18.89220745     10.98990924    -14.01321503
  O     14.21337330     14.17908802    -13.59655598
  H     15.12915837      6.48831699    -13.39408656
  H     18.08989212      6.85763638    -12.73331851
  O     14.70544855      9.88371542    -14.20240707
  H     16.10832775     10.29426983    -11.52926101
  H     17.39352225      7.52821925    -13.93078301
  O     11.77385778      8.12676146    -11.78214332
  H     14.77757590      9.58717597    -11.18685441
  H     14.02489351     12.35745682    -16.17057703
  O     12.05375727      6.24104517    -13.69635762
  H     16.30918578      8.72132849    -17.49835642
  H     13.40575323     13.25184881    -15.08981776
  O     18.91111653     11.64189389    -13.28883770
  H     17.45018452      9.30396804    -18.35708773
  H     14.47755403      7.25422416    -11.30789500
  O     18.18889740      7.57219489    -13.37747845
  H     17.22353472      6.37707406    -10.69346169
  H     15.15996330      7.87796230    -10.06889474
  O     13.17795583     12.66943523    -15.82475366
  H     16.40612793      5.66183490    -11.78535346
  H     13.88876335     11.75109734    -11.56751889
  O     14.36312968      7.91841334    -10.61132407
  H     16.21014230     10.89964488    -16.77403482
  H     13.47111698     13.01334041    -12.35504326
  O     13.13747197     12.32699716    -11.76402748
  H     15.40683363     10.94488134    -15.46155088
  H     11.58855878     10.47085469    -14.14942425
  O     12.05898238     10.31068845    -14.97614986
  H     14.08408014      7.64047810    -16.96743698
  H     12.32598605     11.17195927    -15.33381525
          69
 Energy    -249.31351657439967     
  O     20.17370259     10.94421155     -8.83652690
  H     19.68090324     10.25844171     -8.34753749
  H     19.23436450      8.21162951     -7.41355333
  O     17.77266275      6.07423424     -9.71966790
  H     20.21287409     11.70951388     -8.27015329
  H     19.39977033     10.57979439    -10.44330472
  O     18.86038907      3.92254094    -13.02223716
  H     18.48883539      6.57883160    -10.13619197
  H     18.07698661     10.19821027    -11.18812574
  O     20.09278201      6.35511181    -13.59707951
  H     18.18250885      5.41960650     -9.14156562
  H     22.42230083      8.83110068     -9.76743136
  O     21.95270493      7.08067402     -9.46111335
  H     18.63603183      3.13673248    -13.51376239
  H     21.76075884     10.21552266     -9.62270621
  O     16.67634151      5.18828403    -12.05711176
  H     18.02307373      4.30798664    -12.70777148
  H     18.54081920      8.47253513    -15.92889980
  O     22.80106892      6.73241432    -13.09703489
  H     19.67609773      5.48733715    -13.52026929
  H     19.19490898      8.92544647    -14.59841523
  O     20.25001674      6.72142700     -7.26314098
  H     19.55832773      6.90356453    -14.18430008
  H     20.00819364      3.78985889    -11.45658135
  O     13.73537700      7.30884673     -9.63751475
  H     21.16093329      7.21737820    -10.00511623
  H     21.37795284      4.14782647    -10.81883910
  O     23.03997324      5.00108405    -11.04491265
  H     22.43447455      6.35415149     -9.87152109
  H     15.51584581     10.30454644    -11.39869468
  O     19.71161737      7.49271337    -11.05423913
  H     15.72179959      5.34337808    -12.08207567
  H     16.34160210      9.09434818    -11.90274605
  O     18.75716831      9.03049714     -7.61544759
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  H     16.69942423      6.95560996    -12.79134567
  O     19.03881565     10.22232153    -11.26527059
  H     21.89269673      6.58572853    -13.39610709
  H     17.17519180      8.01708547    -13.81567574
  O     22.46333354      9.74452208    -10.08443978
  H     22.89703827      7.68697710    -12.99577932
  H     23.63497194     10.09556504    -12.97562694
  O     18.59495105      8.26812253    -14.99956785
  H     20.96163911      6.86119507     -7.90333010
  H     22.73484834      9.66349291    -11.79715393
  O     20.50820600      3.77179741    -10.63345174
  H     19.91801482      5.83671925     -7.45040587
  H     16.76536246      7.40891544     -9.10553376
  O     16.28561589      9.77420489    -11.20819923
  H     14.56938769      7.61394846     -9.25007348
  H     16.30110394      8.80286658     -9.61140463
  O     16.53312273      7.85053731    -13.11457452
  H     13.14354603      7.16416924     -8.90304644
  H     19.80680217     10.18903515    -12.90072967
  O     22.87827532      9.55852316    -12.75490328
  H     23.89599416      4.58176299    -11.04998961
  H     21.17094238      9.83173959    -13.51491436
  O     16.26994756      8.20422167     -8.85287286
  H     23.01811081      5.60684958    -11.80801581
  H     19.74368435      4.01204087     -9.09106576
  O     20.24142837      9.96343629    -13.73594744
  H     19.51905843      8.43497113    -11.13933088
  H     19.10824732      3.38221316     -7.82817256
  O     19.24932697      4.21189327     -8.27538587
  H     19.87284888      7.13940448    -11.93832035
  H     13.93415912      6.60273492    -11.31277742
  O     14.15201623      6.25101702    -12.18960299
  H     17.86578448      8.78279774     -7.88022192
  H     14.52884516      6.98547042    -12.68197507
          69
 Energy    -249.31331237905073     
  O     13.81062071      6.54947646    -13.84526779
  H     13.97226543      6.60230943    -14.80001955
  H     17.40519838      3.04215014    -11.72935217
  O     15.64133511      6.80800291     -9.59271431
  H     13.24863273      7.29340473    -13.59013254
  H     19.74963991     10.59784790    -14.54810246
  O     18.51551883      7.68000005    -12.90137239
  H     14.94139372      6.90727617     -8.93621705
  H     18.48061952      9.82015810    -14.96136608
  O     14.91986553      9.71145014    -17.11979726
  H     15.27026791      6.26623405    -10.30507768
  H     15.27151699      7.58956329    -13.52536572
  O     11.96142911      9.10365768     -9.28802898
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  H     15.52526470      9.06295431    -13.88883706
  O     12.42857192      8.84490221    -12.94775786
  H     18.95282315      8.47114423    -13.23161881
  H     15.68847069     12.12073597    -12.65865068
  O     16.04337672      9.25417666    -10.80397038
  H     14.48067617     10.25196151    -17.77105227
  H     14.80551378     13.37610979    -12.87190096
  O     17.32033692      6.30154487    -16.67860862
  H     14.59823725     10.00257684    -16.24878618
  H     12.99521682      5.29517219    -10.68258716
  O     10.63647640      7.49578059    -11.28675595
  H     12.48657862      9.72958972     -9.80414990
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  H     11.38466682      8.65637826     -9.91924485
  H     13.45321370      9.82818015    -14.15022042
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  H     14.30782583      5.55708199    -12.44870880
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  H     17.58977228      5.88410321    -15.84108779
  H     15.36825888      4.60925253    -11.81171007
  O     12.22323017      5.59416626    -10.18354243
  H     17.73584487      5.80312793    -17.37730376
  H     13.13793944      7.12995865     -7.08318717
  O     14.16637647     10.31463225    -14.58621182
  H     11.16891812      6.75770735    -10.93807009
  H     12.85907910      7.88494898     -8.40425007
  O     18.13313635      5.96860260    -10.65542125
  H      9.73676028      7.18519367    -11.33790562
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  H     16.75047303      9.42337142    -16.65905066
  O     13.33262409      7.12746148     -8.01640850
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  H     14.46719981     10.09108884    -10.84119936
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  H     17.52717632      4.56823057    -11.49949500
  H     17.82049117     10.97772149    -12.92222374
          69
 Energy    -249.31320333923438     
  O      2.10163010     -0.72731351      4.43735454
  H      2.78842163     -0.99879723      5.04133635
  H     -3.25518360     -0.75659526      5.04850121
  O      0.31124320      0.99806071     -3.03748016
  H      1.32550288     -1.28279315      4.63444225
  H      1.57410677      4.26015151      2.52537247
  O     -0.08822203     -2.22786821      4.96533507
  H      0.37920291      0.03682093     -3.09962327
  H      1.13744864      2.91083656      1.90248842
  O     -1.26644803      1.24166185     -0.70363596
  H     -0.35501115      1.16984162     -2.35794129
  H     -2.79637170      2.88384693      1.34877013
  O      0.69252657     -1.82386538     -2.69954825
  H     -0.41255784     -2.93716271      4.39892126
  H     -3.75573162      3.57609357      0.34703071
  O      2.73721075     -1.00649587     -1.08989929
  H     -0.87015083     -1.73212141      5.24657901
  H     -1.71833467     -0.24370740      3.60642696
  O     -3.71881539     -3.32001155      2.77400579
  H     -0.49070267      1.43247096     -0.15865562
  H     -1.06969729     -0.69738709      2.26727432
  O      0.99066806      1.85466188      5.04454225
  H     -1.99517256      1.77659254     -0.36980480
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  H      0.98933959     -2.51008797     -3.29111972
  H     -0.84514863     -1.74028244     -1.65261734
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  O     -2.33481353     -0.63131445      5.30601221
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  H     -1.96993409      2.47914106      4.72918708
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  H     -0.76643268      1.96558127      5.51957641
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  H      1.74331912      1.84917600     -0.19866488
  O     -1.55694537      0.01888462      2.68998269
  H      1.38496419      1.00128949      4.82911084
  H      1.49236157      0.89325562      1.00381226
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  H      1.11425834      2.41447996      4.26940038
  H     -2.11973783     -3.86062746      3.02442935
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  H      3.16442434      2.32485132     -2.37308153
  H     -1.13677002     -5.05319980      3.11593214
  O     -1.73535240      2.01910542      5.54080031
  H      1.81463365      1.56486213     -2.35600288
  H     -0.56601465     -2.86989089      1.88137266
  O      1.21515764      1.73007275      0.60116431
  H     -4.75225632     -0.48641328      3.23859579
  H     -0.75193678     -2.04249326      0.55179301
  O     -1.17699058     -4.10147203      3.09098897
  H     -5.79073847     -0.87406452      4.31447479
  H     -3.20298672     -2.06893453     -0.29846271
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  H     -0.82011271      3.18449269      2.73731773
  H     -3.21168064      0.10520772      1.99703324
  O     -4.12375089      0.26251493      1.70293035
  H     -2.20848616      0.30406766      5.53367769
  H     -4.10403651      1.11276790      1.25207771
          69
 Energy    -249.31261851606337     
  O     11.00790878      9.95391937    -11.05451979
  H     11.59728587     10.50002095    -11.58927915
  H     17.78130677      6.80954855    -14.95372299
  O     13.72026787      7.31073981    -14.95345217
  H     10.47076764      9.45039623    -11.67958170
  H     13.64990042     13.63639813    -15.22358139
  O     17.74351697     10.93588819    -11.68190469
  H     14.08568168      7.00612546    -15.79162390
  H     13.38667434     12.16320295    -15.62508059
  O     11.72467676      9.18141828    -14.60790781
  H     14.39485320      7.90201871    -14.57946586
  H     15.70382189      9.73920465    -14.60331213
  O     16.92849105      6.46757752    -10.80264346
  H     16.79725815     10.79075790    -11.54076118
  H     15.44078737      9.39171613    -13.10856848
  O     13.72341329      5.86657623    -12.62197608
  H     18.17890506     10.12127459    -11.40356612
  H     11.59988584      8.78470871     -9.90223308
  O     15.06321432     10.18063115    -11.52745547
  H     12.35569007      8.46820766    -14.78185044
  H     11.57871637      8.17537037     -8.47898436
  O     14.82758703      9.57805054    -17.61128338
  H     10.98299734      8.80084646    -14.12278619
  H     17.33611529      8.52058276    -14.02977103
  O     16.34380078      4.79709159    -12.84406216
  H     17.61802063      7.13480778    -10.89821164
  H     18.58792230      9.35099181    -14.34103217
  O     16.12585735     11.15218793    -15.63106899
  H     16.11781935      6.93219799    -10.55583533
  H     11.38667939      6.72611482    -10.68047783
  O     15.35944346      6.75176205    -17.14399973
  H     14.54240648      5.36134786    -12.68470957
  H     12.00355349      5.98110398    -11.88556683
  O     17.22188526      6.08558402    -15.25960968
  H     13.62846085      6.31990674    -13.47267411
  H     18.26579984     11.27034828    -13.31070443
  O     13.87376631     12.73674445    -15.00190607
  H     14.25988104     10.56147679    -11.90923977
  H     19.27530805     11.95850816    -14.26165937
  O     15.61004126      9.00632817    -13.97764709
  H     14.82180731      9.34514530    -11.10292748
  H     18.80277059      8.30478485    -12.38942637
  O     11.91892714      8.04116816     -9.35905985
  H     15.42967074     10.09421089    -17.05913234
  H     19.88207565      8.14679433    -11.29250832
  O     18.30238004      8.45901432    -14.11237921
  H     15.06500818      8.65274072    -17.48690131
  H     13.30832261     10.44906528    -17.06167087
  O     11.16502603      6.27113369    -11.50230268
  H     16.61585047      5.36477233    -12.10015499
  H     12.16903348     10.34419745    -16.01708460
  O     18.56079653     11.32804627    -14.23811773
  H     16.61913622      3.91008814    -12.62599224
  H     14.14685663      7.08622243    -11.30515809
  O     18.95886905      8.34534998    -11.43072720
  H     16.97099361     11.36522016    -15.21593100
  H     13.61156431      7.77827436    -10.02541976
  O     12.63288528     10.96340022    -16.59489353
  H     15.47491970     11.81941097    -15.37566106
  H     13.17565706     11.78383148    -13.49508660
  O     14.39732978      7.67198509    -10.57620815
  H     15.43305098      6.15769027    -17.88621719
  H     12.47924041     10.40791089    -13.49190064
  O     12.84092274     11.09411059    -12.91047843
  H     16.05881695      6.50073973    -16.51530067
  H      8.86207509      7.86254575    -13.01626501
  O      9.76831088      8.13285181    -12.89673256
  H     16.91948374      5.62460310    -14.46696405
  H     10.22365754      7.40263008    -12.44049293
          69
 Energy    -249.31204632272863     
  O     10.98027522     11.58216136    -16.08887290
  H     11.11896685     11.99563313    -15.22774298
  H     19.16763937     17.52075364    -13.06919322
  O     12.77049865     15.16687217    -16.72420438
  H     11.57444925     10.81849227    -16.11394178
  H     17.42550756      8.46600472    -16.03668005
  O     14.30970926     11.98811570    -14.92758396
  H     13.70311327     14.91507654    -16.68692548
  H     16.19929898      9.24585051    -16.55586224
  O     16.44556229     10.73973191    -13.58253185
  H     12.35067233     14.51643236    -17.29976873
  H     16.17126428     16.15328561     -8.59281431
  O     11.95110275     12.82963300    -13.71325945
  H     13.87585176     11.25456239    -15.38403743
  H     16.13669735     16.49017251    -10.10312476
  O     15.21530210      9.70617178    -18.02878763
  H     15.02457508     11.61076320    -14.40134827
  H     15.91622378     14.53547394    -15.91796834
  O     11.76788355     12.99613309    -18.25839803
  H     16.62693404     10.14173799    -14.31816947
  H     14.95792713     13.31920288    -15.93548579
  O     15.01069449     13.84283824    -11.08735605
  H     15.92497083     10.25142274    -12.92888546
  H     13.45769257     15.78733269    -13.35956591
  O     11.85422700     15.60684638    -14.23733059
  H     11.82217867     13.78022919    -13.81462619
  H     14.40473474     15.09386553    -12.32414206
  O     15.93791315     17.57289094    -11.47434967
  H     12.80914759     12.62338213    -14.11621574
  H     17.08208653     12.33056545    -13.01166892
  O     16.65165058     15.33847477    -14.42262284
  H     15.19645335      9.25244377    -18.86744606
  H     17.07085010     13.85182374    -13.38385770
  O     18.35782501     17.03581409    -12.93677456
  H     15.02143458     10.64332454    -18.21617984
  H     13.33904820      9.09114557    -15.47661002
  O     16.65370923      8.94983441    -15.75128301
  H     11.43327133     12.49455316    -17.49332887
  H     13.67166801      9.64700781    -16.88677498
  O     16.27843902     15.77218664     -9.45985400
  H     11.07123350     13.00066895    -18.90921239
  H     14.75484103      9.00497246    -11.02220478
  O     15.32551348     14.02810009    -16.48744338
  H     15.35300438     14.42213235    -10.39533036
  H     14.10069218     10.22233283    -11.71549176
  O     14.33851097     15.81253831    -12.96841863
  H     15.77801394     13.55375999    -11.60326039
  H     14.31900573      8.45838231    -13.44635229
  O     17.22205492     13.22135760    -12.66577730
  H     11.12741461     16.22321996    -14.24673661
  H     15.12716790      8.18971828    -14.73284001
  O     13.07645325      9.75062149    -16.13622888
  H     12.14775978     15.49707668    -15.16093584
  H     13.57802810     12.47802177    -18.49872636
  O     14.66898374      9.44433170    -11.86390367
  H     16.75142500     17.57606172    -11.99354586
  H     14.93847824     12.92745581    -17.92997906
  O     14.26056943      8.06681962    -14.32755615
  H     15.28101311     17.11749108    -12.01967860
  H     18.24399803     14.30917160    -11.55021468
  O     14.51695617     12.25409021    -18.48117118
  H     17.29349502     15.97302299    -14.08199225
  H     17.91149221     15.25606602    -10.38052924
  O     18.57486698     15.07354385    -11.05711803
  H     15.80789164     15.54369689    -13.99020701
  H     13.81107070     12.44164503    -11.23513083
  O     13.24896339     11.69571400    -11.48472233
  H     18.53971510     16.36283508    -12.25616028
  H     12.64161188     12.03424847    -12.15467465
          69
 Energy    -249.31202408655031     
  O     -7.65162479      0.02260902      7.02156770
  H     -8.23780666      0.77778256      6.89127582
  H     -3.38436171      1.22083792      2.07346737
  O    -10.22096067     -2.19855839      4.22400689
  H     -6.75104676      0.36130754      6.95452280
  H     -7.14078950     -0.57255874      3.70220601
  O     -8.17694141     -2.51544816      6.20522639
  H     -9.60359281     -2.39497596      4.93817460
  H     -6.95854425      0.96783449      3.75957161
  O     -5.42398458     -0.75451897      0.61459076
  H    -10.40005638     -1.25150306      4.29625028
  H     -4.58210482      0.28812198      6.11465541
  O     -5.56233154      2.19123336      4.18331101
  H     -8.02131182     -1.60977942      6.52939895
  H     -4.38445814      1.20058301      7.35265259
  O    -10.46031852     -0.30052787      0.23518391
  H     -8.22961336     -3.07686170      6.97399790
  H     -1.88938352      3.16029324      1.02616885
  O     -9.33350395      2.26318929      6.45553089
  H     -5.66201402     -1.65605656      0.85847221
  H     -3.38347005      3.24410345      1.42631509
  O     -4.02004313     -0.85204941      4.95439452
  H     -6.27237495     -0.28892156      0.55518664
  H     -9.16716949      4.81206847      1.46197480
  O     -4.57039081      1.66032312     -0.85341937
  H     -5.01208431      1.65512725      3.59019315
  H     -8.13820120      3.70236746      1.17582634
  O    -10.17145468      0.61481825      4.32617451
  H     -5.35026590      1.91902582      5.08617872
  H    -10.73820646      1.43383234      2.78471065
  O     -6.66984351     -3.17463743      1.56316494
  H    -11.09398269     -0.31613984     -0.47650380
  H    -10.22262945      2.53326785      1.82905246
  O     -3.95617345      0.61303732      2.55760463
  H    -10.70011830      0.44926623      0.80954766
  H     -6.96839782     -2.46233379      4.80155166
  O     -7.55130796      0.26904127      3.46301837
  H     -8.88611767      2.79134849      5.77011997
  H     -6.44747005     -2.64152743      3.32169805
  O     -4.98791127      1.00186677      6.64194375
  H     -9.75997442      2.87992049      7.04424404
  H     -9.64395476     -2.48060346      2.54287573
  O     -2.69187239      2.64953418      1.08386966
  H     -3.78799570     -0.40417679      4.13017853
  H     -9.74382162     -1.85044025      1.13533399
  O     -8.87229010      3.95336059      1.75889192
  H     -4.76912761     -1.42252021      4.72829900
  H     -8.34527276      3.73203031      3.57222095
  O    -10.84787992      1.80346205      1.89669342
  H     -3.81226951      1.96850637     -0.34155508
  H     -7.12821236      3.23135601      4.37707376
  O     -6.32897874     -2.15338498      4.14640616
  H     -4.73502374      0.75809342     -0.55508766
  H     -5.53939131      3.72413867      1.46223534
  O     -9.27158891     -2.51371129      1.64881444
  H     -9.26080066      0.46577523      4.02585084
  H     -5.06747832      3.59525092      2.91821969
  O     -8.02520596      3.57396836      4.46862316
  H    -10.09510028      1.15020197      5.12353587
  H     -8.71150590      0.22428038      0.43909534
  O     -4.84180383      4.00035283      2.07347420
  H     -7.61741112     -2.94198193      1.53741319
  H     -7.83080570      0.40705868      1.71064605
  O     -7.85178764      0.52933440      0.74922383
  H     -6.59719426     -4.05986160      1.21680623
  H     -7.22718655      2.13429521      0.43690562
  O     -6.75872897      2.96648232      0.26436225
  H     -4.44867648      0.09914827      1.90182894
  H     -6.00682824      2.69587656     -0.28081290
          69
 Energy    -249.31195305224244     
  O      0.95731961      1.34747461      4.60892559
  H      1.44601731      1.30378169      5.42786770
  H     -2.11625583      3.23962631      0.98688800
  O      1.00442271     -0.73945680     -2.98999759
  H      0.06300919      1.01893153      4.80301052
  H     -2.11135610      1.53194710      5.22953228
  O     -1.08609379     -0.06839594     -1.25025316
  H      1.25327902     -1.59225354     -2.61413080
  H     -2.31213700     -0.02355198      5.25353150
  O      1.75215171     -2.99593475     -1.34420842
  H      0.17237026     -0.49726642     -2.55781744
  H     -0.08902205      4.70846491      0.40646788
  O      3.10893287     -1.03974594     -0.01303045
  H     -0.55266467      0.55440235     -0.74235576
  H      0.06053386      3.18109961      0.60713746
  O     -4.59573945      2.57889741      3.31271348
  H     -1.99970483      0.25256557     -1.24385473
  H     -3.51039046      1.60163853     -0.37705490
  O     -2.04943108     -3.09475396      3.59636008
  H      2.33453006     -3.72973742     -1.52141289
  H     -4.03139986      0.15863888     -0.34040679
  O     -0.36223296      3.77405946      3.79536106
  H      2.26278870     -2.35438350     -0.81852463
  H     -1.93151118      0.49747219      3.21148780
  O      2.68300170      1.08366249     -1.90176210
  H      3.13925002     -0.29803179     -0.62985294
  H     -1.26420174     -0.38989516      2.14325563
  O     -5.26944372     -0.09346779      3.59943111
  H      2.79974213     -0.67228680      0.82477752
  H     -1.02161827     -1.77160180     -0.71086388
  O     -3.59355751     -1.33565210      5.27466634
  H     -4.00685900      2.91194169      3.99923331
  H      0.00043129     -2.93939403     -0.74751364
  O     -2.85845194      2.63285502      1.07613931
  H     -4.12188285      2.71054078      2.48099070
  H      1.15495269     -0.64598114      2.21667474
  O     -1.68322967      0.68233622      5.05407235
  H     -2.62541695     -2.55021190      4.14630714
  H      1.61204061      0.59035868      3.01858312
  O     -0.36282716      3.98203327      0.96062261
  H     -2.55463633     -3.34444455      2.81290921
  H     -2.72859361      3.98513566      5.91152376
  O     -3.65268664      0.82269060     -0.93184655
  H     -0.33850841      3.89212306      2.83793952
  H     -1.83352716      3.57987861      4.71486657
  O     -1.92021803      0.30680052      2.26542276
  H      0.22186188      3.03378287      3.99848431
  H      1.44964296      1.58284655     -0.61463264
  O     -0.85630940     -2.67245658     -0.39102821
  H      2.11624492      0.46579946     -2.39898651
  H      1.09360244      1.15107355      0.83551224
  O      1.74566632      0.12445655      2.18556787
  H      3.24129854      1.52133131     -2.53792505
  H     -0.68131454     -2.31744258      2.78066303
  O     -2.60700925      3.31474529      5.24473245
  H     -5.11926572     -0.44882102      2.71431424
  H     -0.28384145     -2.19190609      1.28019344
  O      0.77696061      1.65897778      0.07458968
  H     -5.13944268      0.86407094      3.52957620
  H     -3.46548361     -4.38553961      0.53408265
  O     -0.11171558     -1.83693405      2.16127111
  H     -4.24670787     -0.90023272      4.69507771
  H     -2.31855373     -3.35871839      0.40903518
  O     -3.09810187     -3.60200073      0.93585820
  H     -4.07710375     -1.69688210      6.01245447
  H     -3.41592324     -0.55809586      1.57552416
  O     -4.18106501     -0.99652591      1.17323018
  H     -2.48930289      1.82049140      1.45815333
  H     -3.93380489     -1.92108195      1.05750137
          69
 Energy    -249.31167777631117     
  O     11.25405579      9.87744616    -11.54649893
  H     11.69494395     10.41768079    -12.21468801
  H     15.35604826      6.31729174    -16.01304169
  O     14.34302770      6.86796255    -14.53828968
  H     10.94785581      9.08622663    -12.00603825
  H     17.66258455      6.61435287    -16.50292498
  O     17.76751611     10.61952906    -11.31143741
  H     15.02677755      7.54058795    -14.38531020
  H     19.11923467      6.25513088    -16.87998047
  O     17.68105269      9.38598770    -17.54414797
  H     14.00603110      6.62849314    -13.66654397
  H     14.61608788     13.04884248    -15.95947550
  O     12.24823987      8.59969289    -15.02676929
  H     17.87234842      9.93741303    -10.63677310
  H     15.46059923     11.81535146    -15.56941158
  O     15.46475792      7.38127797     -8.97350317
  H     16.81669037     10.67844900    -11.47713224
  H     16.39266829      9.50640502    -14.63298175
  O     13.31803321      6.51540133    -11.93305478
  H     16.87411161      9.08360781    -17.98136906
  H     17.07610396      8.35430365    -13.85800126
  O     15.10239797     10.28414211    -12.05066247
  H     18.11261975      8.58893271    -17.21377026
  H     17.96516775      7.20672146    -10.84243992
  O     15.22581230      8.36601601    -18.54189979
  H     11.57267981      8.22064200    -14.45338884
  H     18.27465611      6.89724097    -12.32120435
  O     15.56169243      5.21353880    -10.90351519
  H     12.99824724      7.98784151    -14.97303425
  H     10.14304375      6.71012988    -12.77655227
  O     17.04454038     11.02193729    -15.47858209
  H     14.71422553      7.90507960     -9.28749322
  H     11.65412058      6.93966361    -12.55786477
  O     15.97632055      6.28207750    -16.75262986
  H     15.44398731      6.56278339     -9.48277439
  H     19.94351636     11.20346626    -13.50935401
  O     18.59037818      6.90224448    -16.42063970
  H     13.37982696      7.32289402    -11.40078991
  H     18.68817828     10.68925723    -12.76211100
  O     14.55067894     12.14661996    -15.65598723
  H     14.01430730      5.93255403    -11.60359668
  H     18.86473763      7.51940366    -14.71489926
  O     16.22004345      8.75756355    -14.04858072
  H     15.51669750      9.66712349    -12.67215493
  H     19.11701202      8.77188775    -13.80617936
  O     17.83103050      6.55039120    -11.53760416
  H     14.33737393     10.64492741    -12.51752366
  H     17.01677925      8.15238453     -9.20520526
  O     10.84351329      7.34423663    -12.90879459
  H     14.90812923      8.28909229    -19.43760322
  H     18.42279819      8.45938705     -8.64497627
  O     19.15983919     10.67112071    -13.61598586
  H     14.58846549      8.92937435    -18.06796563
  H     13.82244628     10.73068252    -16.72505568
  O     18.84580650      7.84493536    -13.80415859
  H     16.37553567      5.65470049    -11.20802794
  H     12.93504624      9.48323214    -16.51899764
  O     17.89948402      8.48913788     -9.44178460
  H     15.79527164      4.30641155    -10.72533796
  H     12.65297556      9.20037141    -10.55957748
  O     13.51246192      9.92555815    -17.15509665
  H     17.79625286     11.03609587    -14.87373622
  H     14.16150880      9.33352162    -10.85023423
  O     13.51315126      8.80728807    -10.35900009
  H     17.31253608     10.52809077    -16.27101767
  H     12.69036783     10.14969055    -14.11857868
  O     12.92187253     10.96563821    -13.65152541
  H     15.65255352      6.91807381    -17.40383180
  H     13.39777460     11.50895476    -14.29154753
          69
 Ord_Energy   -249.311646    
 O   -2.53344274      -3.95636225       1.36770606    
 H   -2.60216546      -4.90551710       1.30515170    
 H   -1.58279061      -3.74629879       1.36831677    
 O   0.222247630      -1.52118576     -0.913980782    
 H  -0.344765663     -0.941438377     -0.384876996    
 H   0.984342873     -0.993396461      -1.18112743    
 O  -0.809083164       1.85707712       4.53634357    
 H   -8.92426521E-02   1.37279487       4.96097898    
 H  -0.402217984       2.64318681       4.14946365    
 O   -2.62383056       2.54710674      0.924909174    
 H   -3.32748175       2.63661575      0.272026926    
 H   -3.01130748       2.53659081       1.81370473    
 O    1.28399038      -1.26237333       3.00955200    
 H    1.58743227     -0.620938003       2.35051537    
 H   0.328195393      -1.11126113       3.09381080    
 O    1.50930011      0.302557200       5.28584814    
 H    1.50677645     -0.343326777       4.55971289    
 H    1.78686905     -0.167271167       6.06835938    
 O    2.28716111      0.299774647      -1.50682735    
 H    1.67363834       1.02617002      -1.72413027    
 H    2.99984097      0.338235974      -2.13808298    
 O    9.62681323E-02  -3.25749516       1.26875687    
 H   0.233973727      -2.79164124      0.431955308    
 H   0.627695262      -2.78351903       1.91698861    
 O   -1.32444620     -0.483484417       3.12611604    
 H   -1.44800162     -0.323906153       2.18071985    
 H   -1.22577429      0.374482393       3.55913758    
 O   -5.29193497      0.133715108      0.363564521    
 H   -5.31190109      0.117225900       1.32747948    
 H   -4.85723019     -0.685411334       8.80251825E-02
 O   -1.76266241      -1.66063905E-02  0.415703982    
 H   -2.48193789     -0.642919421      0.241096094    
 H   -2.13616967      0.852974653      0.622104347    
 O   -4.53017616       2.25474191      -1.11085641    
 H   -5.28099108       2.73225760      -1.45192111    
 H   -4.88108253       1.49327719     -0.612091780    
 O    1.90585315      0.828401208       1.24127460    
 H    2.21154022      0.607372940      0.353843600    
 H    1.21189463       1.49351263       1.12696600    
 O    2.75178432       2.21804404       3.55665946    
 H    2.48257327       1.59986389       4.24742413    
 H    2.65830564       1.73593509       2.72326112    
 O   -2.13885355       1.14803910      -2.22518706    
 H   -2.97857928       1.58729899      -2.04137325    
 H   -1.91033697      0.696077824      -1.40234578    
 O   -2.06862187      -1.71188879      -2.58632231    
 H   -1.19743836      -1.79899514      -2.17538595    
 H   -2.15561819     -0.776113272      -2.80402207    
 O    8.68667588E-02   2.95359421      0.867044926    
 H   0.316838086       3.45898533       1.65563071    
 H  -0.878714681       2.87827945      0.867462277    
 O   0.713745952       3.99399853       3.40394139    
 H    1.52314174       3.45860147       3.49196959    
 H   0.915611625       4.86453724       3.73582077    
 O   -3.59846020      -1.96159101     -0.311337501    
 H   -3.30618715      -2.71950769      0.209682450    
 H   -3.17068267      -2.00822878      -1.18004811    
 O   -3.48623896      -2.17552662       3.39628339    
 H   -2.68437672      -1.63415563       3.44637513    
 H   -3.27443862      -2.88287234       2.77736545    
 O   -5.15737534      -5.28138205E-02   3.21801686    
 H   -5.93595362     -0.194809467       3.75087595    
 H   -4.61724854     -0.859061003       3.29469657    
 O   0.458918184       2.25237393      -1.85178733    
 H  -0.424598068       1.99655676      -2.14441514    
 H   0.354215443       2.65098357     -0.977328062    
 O   -3.50259614       2.26187778       3.47488880    
 H   -4.04322290       1.46136987       3.50313878    
 H   -2.74059224       2.12123156       4.04748821    
          69
 Energy    -249.31117132572325     
  O     13.05977308     13.76153250    -11.59939088
  H     12.85154280     12.83852176    -11.81583590
  H     13.27362965     12.39866675    -15.55138981
  O     16.00283411     10.24679566    -17.93915100
  H     12.35086570     14.07013249    -11.03801230
  H     15.04280172     13.34663160    -17.12451274
  O     14.66820558      9.47865970    -11.77734514
  H     15.95995604     11.20444747    -17.76851977
  H     16.58522705     13.35730775    -16.97799768
  O     17.86431197     14.96325842    -11.54998883
  H     16.20606215     10.14153410    -18.86476176
  H     13.45338143     14.47836232    -15.61031869
  O     14.00727339      9.31170665    -16.23007756
  H     15.36390485     10.00947941    -11.36730484
  H     12.73729050     14.46392622    -16.98335589
  O     12.94834347      7.29463735    -11.52283093
  H     13.93961240     10.08564538    -11.96421758
  H     18.92743858     12.17130204    -12.90185269
  O     13.83397028      6.00236795    -13.74258396
  H     18.30972629     14.10793982    -11.68881495
  H     18.23055358     11.97583483    -11.54441681
  O     15.78431701     12.29086095    -13.65262941
  H     18.46869995     15.51103149    -11.05632882
  H     17.14617358      9.52926106    -16.54745867
  O     12.48955701     11.16983693    -12.43122329
  H     14.61731284      9.56379013    -16.93422796
  H     17.01856271      8.82841492    -15.17813053
  O     15.51059093      8.24717221    -14.15563985
  H     14.54863784      8.94170133    -15.51518439
  H     12.53552952      8.32947908    -15.56995073
  O     18.28645918     11.67609490    -14.64313851
  H     13.62341644      7.98346977    -11.43563488
  H     12.53762153      7.07939607    -14.67571194
  O     13.37930465     11.65033155    -14.95261712
  H     12.14360273      7.76155810    -11.77743253
  H     17.04619626     14.83313948    -14.65171141
  O     15.85146521     12.90500083    -17.40968172
  H     13.93539612      5.06160778    -13.62878567
  H     16.97073538     15.11861685    -13.11773168
  O     13.38487184     14.00198497    -16.45807245
  H     13.52267705      6.35883681    -12.89064362
  H     16.22363164     11.66660750    -12.00115530
  O     18.91288515     12.49517577    -11.99254022
  H     14.98369974     12.05307568    -14.13429200
  H     16.16755585     12.15118309    -10.54456364
  O     17.64794607      9.26568132    -15.76652105
  H     15.88221627     13.25042850    -13.70446126
  H     13.43069190     14.71040980    -13.21656953
  O     11.97577655      7.80045158    -14.98730552
  H     11.83647412     10.45919192    -12.45344563
  H     14.64761416     15.28135922    -13.98113616
  O     16.44301974     15.02725619    -13.92325081
  H     12.72960990     11.35345427    -13.35400467
  H      9.93379244      8.73075990    -12.74722365
  O     16.47118522     11.41636921    -11.09630303
  H     15.30530216      8.71983552    -13.33702774
  H     11.21468639      8.53406639    -13.59055600
  O     13.69072629     15.14364749    -14.03804992
  H     15.08988041      7.38161695    -14.07676997
  H     16.24552494     14.34699354    -10.58863937
  O     10.87344171      8.89282977    -12.75129274
  H     18.24980833     10.79739235    -15.04557318
  H     14.76126073     13.89995031    -10.65918896
  O     15.56650011     13.83738689    -10.13077484
  H     17.39453806     11.83521762    -14.29695786
  H     18.27679528     13.17568836    -15.55785806
  O     18.08436088     14.02667447    -15.99069787
  H     13.54391735     10.85454232    -15.47720034
  H     18.89540681     14.32047918    -16.39718726
          69
 Energy    -249.31110766494538     
  O      0.31715445     -1.26072838      5.65471266
  H      0.65897081     -1.39252688      6.53614340
  H     -6.78170347     -1.76854113      3.10790488
  O      2.78072224      0.68964827     -1.49573177
  H     -0.16525676     -0.41466847      5.67263804
  H     -1.49920070      3.75501859      0.21042063
  O     -2.17718667     -2.64685243      5.17971822
  H      2.70027696     -0.26333539     -1.63385961
  H     -0.94350974      2.32386980      0.35793997
  O      0.27953239      1.07904754     -0.14084911
  H      1.90442436      0.98450394     -1.21818511
  H     -3.39467960     -1.45141454      4.73028913
  O      2.45936338     -2.14765707     -1.39197524
  H     -2.12878601     -3.30879852      4.47876123
  H     -3.95236137      0.03050898      4.71375840
  O      3.60907840     -1.92280342      1.07510977
  H     -1.28994242     -2.28746319      5.29619800
  H      0.56406573      1.78317792      2.87242753
  O     -3.80815755      2.41221111      2.45906239
  H      0.84739009      1.00818240      0.64010380
  H     -0.69794299      2.58308206      2.44471308
  O     -4.00680184     -3.15520205      1.31758476
  H      0.01616849      0.17761028     -0.37097835
  H     -2.57728194     -0.44647245      3.07834729
  O     -1.02507594      1.10331494      5.62553198
  H      2.86139237     -2.15302636     -0.50497629
  H     -1.37815492      0.49661577      2.75999151
  O      4.36590006      0.82921363      0.71215904
  H      2.87235281     -2.85130246     -1.88546194
  H     -0.26929085     -2.04641339      0.16256314
  O     -5.13719480      0.53599936      0.90986691
  H      3.09899076     -1.93894303      1.89431315
  H      0.63189536     -1.85935493     -1.07642811
  O     -5.97922446     -1.61110156      2.61828141
  H      4.01840956     -1.04923932      1.03368165
  H      1.07276422     -2.03921353      2.72876884
  O     -1.48841308      3.00003497      0.79377803
  H     -3.07834378      2.66571341      1.88564821
  H      1.39884810     -1.49019979      4.12866550
  O     -3.98369389     -0.82908408      4.27598650
  H     -4.35011952      1.80415057      1.93359799
  H     -3.75913741      2.08490790      4.16559997
  O     -0.31269632      2.07115823      3.16550794
  H     -3.63384487     -2.48046052      0.73610556
  H     -4.30247518      2.43354480      5.57084936
  O     -1.82330744     -0.31329803      2.49001154
  H     -4.78285844     -2.74774936      1.72200460
  H      2.82927064      1.02260364      1.75063408
  O     -0.22567908     -1.61864476     -0.70630641
  H     -0.68144992      1.55959486      4.84274962
  H      1.90255268      0.05659584      2.53984337
  O      1.76773954     -1.60065180      3.24360649
  H     -1.96176431      1.32757510      5.63890942
  H     -2.90191594     -4.00277205      2.33770782
  O     -3.75098109      1.81317095      5.10244753
  H      5.17133737      1.32290435      0.58728157
  H     -2.35350127     -5.34840425      2.87254723
  O      1.94710926      0.93238973      2.12901132
  H      3.88489607      0.84969509     -0.13480195
  H     -0.89292727     -1.77497988      2.16148757
  O     -2.21779702     -4.40564434      2.90435759
  H     -5.56621481     -0.16282983      1.41799383
  H     -0.91167680     -3.32511020      2.19346958
  O     -0.39748772     -2.56662423      1.89301233
  H     -4.46399243      0.09212653      0.37818117
  H     -2.10266724     -1.17569670     -0.53155039
  O     -2.88283795     -0.91396647     -0.02984599
  H     -5.30327152     -1.33503945      3.26363564
  H     -2.54657402     -0.58820310      0.81977135
          69
 Energy    -249.30946345586611     
  O     -2.29738668     -0.44777456      3.88144188
  H     -2.84694582     -0.05892832      4.57035023
  H     -3.30050665     -2.98944950      4.79992835
  O     -3.50432561      2.80878620      4.62625511
  H     -2.31151305     -1.40554937      4.00357286
  H     -2.91700403     -2.15854579      7.30922097
  O      2.04767938     -1.20222750      3.03372377
  H     -3.26342334      2.85973158      3.69421602
  H     -1.45481365     -2.60829592      7.22323222
  O      3.45948693      1.23690207      3.06436516
  H     -2.74122471      3.11220697      5.13349527
  H     -0.41317849      0.63135432      7.11751095
  O      0.83929990     -2.54974490      0.86766119
  H      1.73095028     -1.73540217      2.29565019
  H     -1.55447214     -0.26945203      7.64003016
  O     -1.81437275     -2.70557634      1.45003422
  H      1.35678768     -0.54411401      3.21367242
  H     -0.14379141     -4.57123011      6.33064564
  O     -2.37523204      0.18035537      1.21857503
  H      3.17211824      0.31400963      3.05976456
  H      0.28745793     -3.15584408      5.88314538
  O     -2.68432412      2.95537316      1.85617513
  H      3.05382716      1.63147458      2.28309770
  H     -1.37287846      2.39501259      6.90149760
  O     -0.04260813      3.17107164      2.44625071
  H     -0.10002934     -2.68218675      1.08637873
  H     -1.63053078      3.87054211      7.25851799
  O      1.99076621      2.20807871      0.79616826
  H      1.08798456     -3.26383411      0.28696908
  H     -5.36806610     -2.34864761      6.35428787
  O      1.59720185     -2.08152113      5.64804094
  H     -2.19005595     -1.84225202      1.24083848
  H     -4.37262633     -1.20307669      6.06914455
  O     -2.55033258     -3.17002859      4.21830424
  H     -2.15546529     -2.96521379      2.31470495
  H      0.07482198      1.51428622      3.32449288
  O     -2.04511862     -2.00391816      7.69032239
  H     -2.38722915     -0.06061517      2.15790086
  H     -0.72348083      0.27579125      3.84100764
  O     -1.34000824      0.64434702      7.39968105
  H     -2.61538324      1.11418289      1.21850766
  H      0.14638672      3.76309855      5.49475884
  O     -0.48394769     -3.73317370      6.02865099
  H     -2.97086716      3.71159992      1.34969570
  H      1.64057251      3.54436621      5.13887940
  O     -1.38498768      3.29411961      6.53715584
  H     -1.73444526      3.08024108      2.03005494
  H      4.02451443      2.76656008      5.77543427
  O     -4.46441203     -2.17069606      6.10569906
  H      0.69751375      2.98489459      1.85528074
  H      3.31134817      2.03226983      4.61780985
  O      0.15523711      0.67769295      3.79449336
  H      0.30044607      3.58449435      3.25435696
  H      0.56459148     -0.73418858      0.33825620
  O      0.83788053      4.00597279      4.86643226
  H      2.37339993      2.52688261     -0.01675949
  H     -0.62671405      0.22192362      0.52660711
  O      3.17088138      2.46054597      5.48156840
  H      1.40828955      1.46241336      0.55936528
  H     -3.01684418      0.57355210      6.56926143
  O      0.29368759      0.18520959      0.23541634
  H      1.54426054     -1.20990970      6.05892665
  H     -3.90230781      1.34448416      5.54923470
  O     -3.81471385      0.50444273      6.02604702
  H      1.86543391     -1.91691099      4.73387909
  H      0.79897370      0.66074670      5.43268205
  O      1.19470898      0.63997344      6.32023554
  H     -1.81682362     -3.44244747      4.78818762
  H      1.95022449      1.23547403      6.26780824
          69
 Energy    -249.30934470518741     
  O     12.56324275      9.98765367    -12.57836186
  H     13.40768262      9.93306647    -12.10618247
  H     16.08283997      5.77825875    -17.38499591
  O     14.25453196      6.59317475    -14.87359969
  H     12.69829058     10.65808338    -13.26018327
  H     17.83481726      9.26165024    -16.93268696
  O     17.49814692     10.69012597    -10.54685377
  H     13.41099915      7.06431107    -14.90380368
  H     17.49211290      7.79226696    -16.61762793
  O     16.86996892     10.74154031    -17.61567954
  H     14.26370831      6.10405548    -14.03818283
  H     14.34121795     11.53127739    -14.72945520
  O     11.87807995      7.97235724    -14.49932463
  H     17.75678703      9.77645833    -10.32444122
  H     13.26489152     12.63833158    -14.80317389
  O     16.23741940      6.14054291     -9.12231038
  H     17.82755031     11.24903191     -9.84856705
  H     15.92574730      9.35559408    -14.31694286
  O     14.17314339      5.51073074    -12.33535121
  H     17.09074657     11.27894547    -18.37047696
  H     15.26177807      7.93862526    -14.20420858
  O     15.04137475      9.65077911    -11.40281648
  H     16.12756017     10.16577847    -17.88157789
  H     10.61511688      8.59633097    -10.31414828
  O     14.88837986      9.02826522    -18.12403367
  H     12.11894824      8.65894226    -13.86383055
  H     11.67253620      8.91693057    -11.39231940
  O     16.78270766      4.93485161    -11.71283203
  H     11.53894429      7.23241604    -13.97515297
  H     17.26846634      7.66825050    -13.11487550
  O     16.03174450     11.09936525    -14.97610920
  H     16.05544317      5.69135924     -8.30054949
  H     18.79591033      7.65030660    -13.24346523
  O     15.99964972      6.63841890    -16.98014013
  H     15.40216213      6.54399114     -9.41017557
  H     12.22943998      5.62329614    -12.52870308
  O     18.16712687      8.46978245    -16.49261087
  H     15.05544882      5.13238307    -12.20631842
  H     11.25307707      6.64182725    -11.90697385
  O     13.38778022     11.70592746    -14.64296235
  H     14.08574375      6.17906377    -11.64398280
  H     18.77531398     10.35532382    -13.58289241
  O     15.83760305      8.57218457    -13.75977958
  H     15.34415369      9.24947002    -12.23367783
  H     18.02225652     10.96526535    -12.37254248
  O     11.37625211      8.23768983    -10.76428051
  H     15.79486083     10.12728439    -11.03714730
  H     19.19981494      8.70006395    -15.12686836
  O     18.06426109      7.23782697    -12.76947587
  H     14.06840388      9.22543293    -17.64649209
  H     20.64597448      8.85392795    -14.59769498
  O     11.34919208      6.00850110    -12.62863141
  H     15.18140596      8.15650578    -17.83586720
  H     18.15242850      7.76547906    -11.01608159
  O     18.18696567     11.07286331    -13.31670016
  H     17.32584826      5.60898552    -12.14319039
  H     17.51906335      7.45477736     -9.64629139
  O     19.73245109      8.85835720    -14.32557495
  H     16.71992575      5.20410178    -10.78848411
  H     12.25356428      9.02996493    -16.01419338
  O     18.06450392      8.09885683    -10.11144620
  H     16.80221979     11.21264484    -14.39728091
  H     12.86773304     10.43487880    -16.01511069
  O     12.69073139      9.67636380    -16.58293530
  H     16.34427718     11.05724539    -15.88876164
  H     14.45543133      8.19692955    -10.54499954
  O     14.02072950      7.40153846    -10.20065317
  H     15.37283025      6.53785740    -16.24474899
  H     13.07656874      7.59628945    -10.19792024
          69
 Energy    -249.30844548137293     
  O     16.56360982     10.75228295    -16.63909405
  H     15.71208662     11.09916323    -16.34971521
  H     18.01454926      5.50450213    -12.84376732
  O     14.76083695      5.96123662    -12.88481486
  H     16.76837536     10.02039134    -16.03265061
  H     19.96643555     10.02714245    -16.59842568
  O     18.41329144     13.56143364    -11.17360236
  H     15.67725790      5.75728076    -12.61979063
  H     21.14345270      9.35459625    -17.34377488
  O     19.72324537      7.97004875    -14.44920237
  H     14.19675030      5.33423798    -12.44137518
  H     16.57761922      8.69996778    -14.03062649
  O     13.91483080      8.73361387    -16.94312882
  H     18.39760672     14.49846114    -11.00088565
  H     17.94371992      8.41441123    -14.72792598
  O     17.31576006     10.18257631     -8.98236502
  H     17.54584248     13.20723247    -10.90373058
  H     13.19505581     11.60894135    -15.82181125
  O     15.57880677      8.62224388    -12.47610257
  H     19.66335736      7.00603869    -14.44053704
  H     13.88378935     10.24080199    -16.01908867
  O     18.19395579     11.85695009    -13.40485760
  H     20.04488664      8.26012046    -15.31279468
  H     17.56422420      8.70212896    -10.10713511
  O     19.18979248      5.24251479    -14.31879411
  H     14.19006161      7.93419060    -16.47354545
  H     18.45027753      8.63834282    -11.37158952
  O     17.57285488      5.38201688    -16.44704764
  H     14.50671596      8.79186366    -17.70226662
  H     19.37183633     12.12217095    -10.32780739
  O     15.19953157      6.66010706    -15.58155704
  H     18.17088643     10.57452733     -9.23807941
  H     19.81187145     10.69798430    -10.72734473
  O     17.34263142      5.65031737    -12.16713367
  H     17.28205068     10.19469131     -8.02926475
  H     19.78023817      9.07883693    -13.03314163
  O     20.32112403      9.17053677    -16.89736996
  H     15.11810590      7.78234125    -12.58739762
  H     19.08503598     10.42851981    -12.72115238
  O     17.02730088      8.67234296    -14.88506126
  H     16.30913433      8.46223902    -11.86087939
  H     15.72825609     11.97599869    -11.39825133
  O     13.97758568     11.11316126    -15.59509331
  H     18.34432244     12.54242947    -12.74162359
  H     16.33381887     11.52148766    -10.04069799
  O     17.77340502      8.15488899    -10.87440044
  H     17.24646524     11.66574200    -13.39826249
  H     18.97928878      8.08225679    -17.76851179
  O     19.61345582     11.26019306     -9.96591405
  H     19.73185388      4.46016547    -14.37016990
  H     17.57280082      7.99233536    -18.40932792
  O     19.56340726      9.69039532    -12.31645610
  H     18.60275859      5.23183480    -15.09825135
  H     14.87643236     11.31403696    -13.91911736
  O     16.09332691     12.29640621    -10.56263341
  H     17.87651162      6.04173958    -17.08906339
  H     15.38415198     10.34117045    -12.83576909
  O     18.31838558      7.46414172    -18.10100689
  H     16.66017014      5.61679773    -16.24301492
  H     19.00155859     11.67920530    -15.10447349
  O     15.42133469     11.26589928    -13.12579654
  H     14.94720544      6.33425717    -14.70883489
  H     18.28071813     11.37567886    -16.41055888
  O     19.16637709     11.46436371    -16.03128630
  H     15.89326145      7.32237643    -15.43659497
  H     16.07903096      9.64413360    -19.64669624
  O     16.09490529      9.16521884    -18.82129867
  H     17.61964888      6.41289273    -11.64298900
  H     16.30735620      9.81134358    -18.12613377
          69
 Energy    -249.30819182665124     
  O     17.25317018     14.76936983    -15.71974122
  H     18.05257824     14.93801043    -16.23218611
  H     18.98910237     10.70742284    -10.22151356
  O     22.70055829     11.35182720    -15.97838064
  H     17.42362506     15.13574528    -14.84227950
  H     18.97700637     16.35181679    -10.22865960
  O     19.30529577     12.46977445    -10.11191684
  H     22.38502464     10.60342117    -15.43479456
  H     18.28888458     17.73035471    -10.37504117
  O     21.53619867      9.91912882    -11.68110477
  H     23.50295834     11.06218712    -16.40189777
  H     22.01422555     12.83843476    -12.02342071
  O     17.19403921      9.33549653    -12.72885237
  H     20.20665374     12.54013398    -10.46135183
  H     22.20311622     13.52522685    -10.64853026
  O     20.17035390     12.38934358    -16.70318166
  H     18.69394682     12.70232508    -10.82844538
  H     18.30540860      9.12196447    -14.11990713
  O     20.75287620     15.47117491    -14.30249632
  H     21.79317810     10.79340079    -11.36474520
  H     18.54417101      9.56756154    -15.60566214
  O     19.66950867     15.12930722     -9.19595197
  H     20.66028074      9.75397938    -11.31513137
  H     20.05548798     15.40541577    -17.81623366
  O     21.89816282     12.99273502    -13.81745520
  H     16.60015444     10.08520970    -12.83940119
  H     19.97570854     14.11444413    -16.96388827
  O     15.51324801     11.65852610    -13.32072611
  H     17.70787460      9.49362310    -11.92589389
  H     21.26314071     16.48936043    -12.81139865
  O     17.91574759     10.63260981    -16.97769507
  H     21.06128249     12.02245864    -16.63658047
  H     20.49558316     17.07949951    -11.61108160
  O     18.87624193      9.77298590    -10.46035142
  H     19.78634608     12.29835639    -15.81611441
  H     18.23535197     16.13826437    -12.41703785
  O     18.70083196     17.02922008    -10.87232933
  H     20.52089280     15.47412207    -15.23849337
  H     19.08438078     15.51024836    -13.55121487
  O     21.91397566     12.70654152    -11.06945332
  H     21.22492256     14.64239268    -14.13520044
  H     22.13284840     15.85240498    -10.70818927
  O     18.98078523      9.25572625    -14.80089967
  H     20.62834176     15.17767735     -9.29873262
  H     23.18390437     15.66787658     -9.58718065
  O     19.81461499     15.07445864    -16.95504375
  H     19.43716171     14.20523199     -9.35243444
  H     20.80935397      9.18654488    -14.62173124
  O     21.38069159     16.86099652    -11.92733799
  H     21.02405333     12.56721235    -13.81654712
  H     21.75908524      9.54119012    -13.45904787
  O     18.18645960     15.56418498    -13.19173475
  H     22.39689385     12.54277459    -14.50840887
  H     19.27734380     10.98491537    -14.19867708
  O     22.42136151     15.26128705     -9.98979231
  H     14.57556739     11.59238257    -13.15598354
  H     18.76686046     12.25652982    -13.43737208
  O     21.72678896      9.41433684    -14.41793805
  H     15.61822107     11.87952517    -14.26021132
  H     16.37825866     13.29143726    -15.87748115
  O     19.40091755     11.93730670    -14.08775906
  H     17.22632781     11.21521464    -16.63815526
  H     15.23838614     12.57222497    -16.63559617
  O     15.89188194     12.45040034    -15.95072408
  H     18.68314502     11.19798017    -17.13133672
  H     16.82237801     12.66944415    -12.51721964
  O     17.65639935     13.04757355    -12.21373062
  H     18.83621890      9.28454080     -9.64100673
  H     17.73772067     13.95132861    -12.55036654
          69
 Energy    -249.30818902632748     
  O     15.02540491     10.90064399     -9.66118125
  H     15.27306001     11.83335855     -9.73908682
  H     11.15997925      8.17495387     -9.86146886
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  H     15.66111441     10.40786506    -10.19557997
  H     15.31109082      6.56922458    -10.01518941
  O     11.06602706     10.48276351    -14.49825715
  H     15.96583827     13.45648322    -13.55103650
  H     14.21199790      7.02243200    -11.01159420
  O      9.78996509      8.37723408    -12.98092585
  H     17.19331877     12.58747863    -13.21620115
  H     13.07253699      6.73578714     -9.31832935
  O     13.02734614     11.99593213    -13.37783406
  H     11.61926835     10.09661713    -15.18810850
  H     12.06629064      6.47938692     -8.17739242
  O     15.11204933     10.74553410    -14.79828265
  H     10.63038134      9.75592630    -14.03839440
  H     13.84760424     13.49733526    -12.87273388
  O     15.92817809     13.39599856    -10.32135674
  H      8.83845477      8.31473746    -12.99530276
  H     13.98723409     15.03429719    -12.80895095
  O     17.03396598      9.49101842    -11.11883504
  H     10.04749707      8.50408025    -12.04985760
  H     13.11623706     10.19915202    -17.26141629
  O     14.06912561      4.93443266    -12.85872229
  H     13.77168744     11.55437794    -13.80960189
  H     13.86253638     10.14925285    -15.91017994
  O     18.08073103     12.00002786    -11.64026552
  H     12.22677154     11.60033899    -13.75494546
  H     16.03780347      7.93664604     -8.60979249
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  H     17.34706806      7.11248847     -8.52743242
  O     10.67691073      8.76766505    -10.44765540
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  H     16.18443387      5.35374430    -15.21880364
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  H     15.40109678     13.76098850    -11.04341829
  H     15.13968248      5.56818128    -14.09924864
  O     12.39732379      7.15752596     -8.76260766
  H     16.73834613     13.06289922    -10.72741447
  H     14.05579818      6.72414502    -15.66258131
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  H     17.06041405      8.77524136    -10.47172157
  H     13.19062597      7.92447834    -16.13188204
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  H     16.75231018      9.10919868    -11.96272568
  H     12.20304515      6.71834443    -14.40993238
  O     16.72556224      7.49417177     -9.14149305
  H     14.26989582      5.19077811    -11.95015506
  H     11.05597277      7.08360424    -13.40523853
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  H     13.20401056      5.32231738    -13.05289804
  H     13.82172702      8.36071398     -8.09377119
  O     13.15450075      6.99485526    -15.87297085
  H     17.78909461     11.09539076    -11.44145173
  H     14.70298182      9.60726092     -8.37630009
  O     11.87738710      6.58856956    -13.50409050
  H     19.01899787     12.02859270    -11.46901147
  H     15.10086619      8.42767228    -13.00239730
  O     14.67862498      8.76039214     -7.90760005
  H     12.95523615      7.74163636    -12.61411626
  H     16.03371614      7.65242155    -13.96082600
  O     15.95975946      8.47097882    -13.45614326
  H     13.19040486      9.04174375    -11.75741970
  H     12.72255695     11.17788592    -11.77845585
  O     12.63669975     10.62143797    -10.99385631
  H     11.24435156      9.54666059    -10.54745481
  H     13.42296987     10.77236089    -10.45131295
          69
 Energy    -249.30796640511360     
  O     -4.91666637      9.27146246     -7.10521941
  H     -4.82573223      8.44135021     -6.62013385
  H     -2.74833366     12.24845353    -11.26532262
  O     -4.18911113      9.69509897    -12.75029208
  H     -5.28689730      9.03347208     -7.97097250
  H     -0.15493204      9.95672549    -10.67593993
  O     -6.12592397      8.31088569     -9.39080351
  H     -4.23584340     10.25346850    -11.95705107
  H     -0.66649086      9.54207154    -12.06696332
  O     -8.41355975     11.32046918    -11.53566606
  H     -3.34192828      9.89218958    -13.16521583
  H      0.19900940     11.71334798     -8.71681487
  O     -7.14126719      6.34633245     -7.67831009
  H     -6.93513592      8.75260461     -9.67274736
  H     -1.15451694     11.00712415     -8.95032162
  O     -7.16140833     10.85550090     -6.79113391
  H     -6.41610926      7.55001120     -8.86612291
  H     -4.50032150      6.20188504     -5.32083007
  O     -7.22939334      5.21488124    -10.23715134
  H     -7.88618292     10.73962460    -12.11502907
  H     -4.20575208      6.28546869     -6.83881973
  O     -1.57975325     10.51354453    -13.47331102
  H     -8.89820515     11.91263707    -12.10353660
  H     -4.39143024      5.64834760    -10.98026901
  O     -4.35007211      7.39283840    -11.27089759
  H     -6.42810544      6.35060380     -7.02996827
  H     -3.99294089      4.17720416    -11.24545291
  O     -6.99702451      9.51766289    -12.96737422
  H     -7.78042294      7.03156303     -7.42389428
  H     -8.33715726      9.32240952     -7.01897592
  O     -3.29627759      5.75277141     -8.19814383
  H     -6.32664008     10.35878857     -6.78197634
  H     -8.97401662      8.66443228     -8.24754016
  O     -1.87139396     12.47168789    -11.60938737
  H     -7.13903193     11.44152845     -6.03805221
  H     -6.92356208     11.58971610     -8.58760328
  O     -0.28391572      9.19355046    -11.25267090
  H     -7.30760008      5.45246820     -9.30309756
  H     -7.28241186     11.77131481    -10.09129229
  O     -0.39522737     11.41444805     -9.40032121
  H     -6.32365850      4.90596641    -10.35933035
  H     -7.82069963      6.37733704    -11.40430784
  O     -4.76757948      6.63946113     -6.12430115
  H     -1.65430983     11.28598412    -12.88352867
  H     -8.77557713      6.57559689    -12.59857538
  O     -4.45405251      4.74205233    -10.63021985
  H     -1.17061043     10.82081647    -14.27783322
  H     -8.74068677      8.28933111    -10.74454832
  O     -8.78336843      8.51866851     -7.30928719
  H     -4.99763162      7.70997138    -10.62222297
  H     -8.84079937      9.82355021    -10.53460613
  O     -6.58021750     11.88248170     -9.43841004
  H     -4.24482593      8.10074817    -11.91908150
  H     -2.38555808      9.21228026     -8.84420652
  O     -8.18022020      7.04237561    -12.01712309
  H     -7.24591645      8.61710128    -12.72806739
  H     -3.32630264      9.90034919     -7.82164571
  O     -8.81649872      8.97760010    -10.07023078
  H     -6.03314265      9.54999932    -13.01643256
  H     -2.80284934      7.59545249    -10.32464233
  O     -2.60290063     10.06565239     -8.43824747
  H     -3.70091143      5.25709821     -8.91940135
  H     -1.33037606      8.09459852    -10.29753236
  O     -2.02995781      7.70483668     -9.75290657
  H     -2.70219205      6.38777489     -8.62122960
  H     -4.99386767     11.54727368    -10.12065063
  O     -4.14301694     11.27458860    -10.49365525
  H     -1.26446646     12.29216302    -10.88070822
  H     -3.63380279     10.86450808     -9.78430361
          69
 Energy    -249.30763341209268     
  O     17.13754049     10.14701651    -14.51817711
  H     17.68733829     10.79187323    -14.05495309
  H     15.01001562      9.73596284     -9.15000922
  O     14.12004179      5.50795060    -10.50613352
  H     16.26109985     10.53301977    -14.65452777
  H     13.78710293      6.98203589    -16.93599364
  O     18.56505531     11.74274827    -12.76762938
  H     14.90881672      5.82388553    -10.02696264
  H     13.95311719      5.68273329    -17.75832069
  O     12.76412013      7.83344093     -9.58107685
  H     14.01660006      4.58557021    -10.28961024
  H     15.22011382      7.53641944    -12.59807894
  O     14.58339626     11.12655151    -14.71479524
  H     19.01069915     10.91368934    -12.51355499
  H     14.38691901      6.30198987    -12.15604494
  O     17.94038863      8.01767532    -15.97301950
  H     19.23962218     12.41657360    -12.78665968
  H     16.82575068      8.43597542    -17.44588254
  O     20.25156900      7.64730231    -14.56292759
  H     13.09252315      6.98352508     -9.89925063
  H     15.53233221      7.74516310    -17.89518757
  O     16.20844785      6.04325755    -15.03567260
  H     13.47153021      8.20092087     -9.03627017
  H     14.99437899      9.91916127    -17.68409416
  O     12.06136220      9.82493239    -11.25974901
  H     14.04175799     10.41477934    -14.34440609
  H     14.18520019     11.11219848    -18.24387085
  O     15.74130580     12.43477513    -12.41991617
  H     14.46257748     11.09048907    -15.67299746
  H     16.59296472      9.31246991    -12.93899748
  O     14.69411757     10.68422206    -10.63182635
  H     17.36815571      7.30254116    -15.65812183
  H     15.73824917      9.53875730    -11.64606671
  O     15.05749648      9.10183887     -8.41508761
  H     17.67774391      8.81480384    -15.48411623
  H     19.35077038      8.69030614    -11.69714164
  O     14.43320515      6.31507798    -17.23025290
  H     21.01065589      7.44980639    -15.10576664
  H     20.01386631      8.83450625    -13.07157194
  O     14.60692489      6.85418624    -12.91566978
  H     19.50483784      7.79370917    -15.16831392
  H     17.50973934      7.89303848    -11.36749303
  O     16.04572700      8.55579008    -18.00223514
  H     15.63044029      6.26803359    -14.29229358
  H     18.34022820      6.63742451    -11.71447371
  O     14.32566509     10.59058733    -17.45819573
  H     15.63230742      5.99470437    -15.80883320
  H     13.52801972      8.19179730    -13.50457814
  O     16.24375767      8.88699488    -12.14635685
  H     11.22478366     10.20364248    -11.00339075
  H     12.57862660      9.28564142    -12.95734883
  O     19.74419537      9.33910697    -12.29425733
  H     12.22435492      9.06802839    -10.66740893
  H     19.18031399      6.24665065    -13.71863967
  O     18.20445862      7.30752523    -11.02773664
  H     15.33220723     12.15611109    -13.24998271
  H     17.76510610      5.65726442    -13.88364365
  O     13.03315433      8.98580697    -13.75355609
  H     16.69000754     12.28148413    -12.50530105
  H     15.93471455      7.45689496     -8.86170605
  O     18.51116183      5.71114427    -13.27491321
  H     15.02620681     11.42176130    -11.16585791
  H     17.01157523      6.76329672     -9.73105682
  O     16.21417184      6.60108307     -9.20816634
  H     13.77685621     10.52038164    -10.88418315
  H     12.72826676      8.54170997    -15.53139561
  O     12.79422746      8.35292343    -16.47701896
  H     15.21870984      9.61092007     -7.62454858
  H     13.16401964      9.14998811    -16.87526193
          69
 Energy    -249.30742653904429     
  O     12.62956929     10.03306517    -10.67585354
  H     13.05723458     10.35754779     -9.87321065
  H     10.64715478     12.76701192    -10.51827002
  O     11.37509863     12.04536556    -12.00425973
  H     13.35270710      9.82306142    -11.28034893
  H     11.32616132      7.04420179     -6.81957370
  O     14.24290881     10.99772341     -8.62980286
  H     12.12454452     12.54334442    -12.35401605
  H     11.24870920      8.47008738     -7.41576754
  O     15.01064279      7.09504756    -10.76317098
  H     11.75559715     11.31080591    -11.49454725
  H      9.87244534     10.33286977     -7.84888083
  O     13.49588145     15.77812854    -11.72120986
  H     13.55719681     11.44531347     -8.11878118
  H     11.16356491     10.87368363     -7.20402018
  O      8.93970380      9.27180562    -11.13797498
  H     14.33115334     10.07934609     -8.33022338
  H     13.42287279      7.96529903     -7.96770939
  O     13.75040736     13.22918895    -12.82437533
  H     15.60157195      6.34805141    -10.81455194
  H     14.53345253      7.85511478     -9.04050408
  O     15.28049328     14.57814002     -9.79928347
  H     14.23312696      6.87643054    -11.30778473
  H     15.44899026     11.16064543    -11.45793162
  O     11.11742712      7.75230581    -10.32087799
  H     12.81260412     15.70520609    -11.03047124
  H     15.03843757     11.68929960    -10.07463650
  O     11.75465150     15.47973875     -9.66422081
  H     13.47367737     16.67754418    -12.03623785
  H     13.13455578      9.92029858    -14.47632231
  O     13.65709913     14.80959473     -7.62010645
  H      9.21558356      9.52958888    -12.02446642
  H     11.85737303      9.36366329    -13.83815466
  O     10.32690904     13.04636857     -9.64849052
  H      9.58755070      8.61505748    -10.84535849
  H     10.50287964     10.94576546    -13.09508039
  O     11.60544662      7.57443412     -7.56082769
  H     13.66667387     14.15704573    -12.57065348
  H      9.69651744     10.54277004    -14.35200511
  O     10.62269883     10.07972115     -7.29738113
  H     14.32484566     12.80731793    -12.16807700
  H      8.64551722     10.36240904     -9.82395552
  O     14.29128715      8.30220625     -8.22056605
  H     14.81509964     15.06473523    -10.49046080
  H      7.61512087     10.94949370     -8.83097883
  O     15.37977577     11.97218466    -10.93787620
  H     15.49635357     13.71777874    -10.18051589
  H     14.42462221     11.79088288    -15.65971816
  O     12.78676588      9.15516075    -13.99271553
  H     11.21123777      7.51366376     -9.39114594
  H     13.77972550     12.17653783    -14.32029999
  O     10.13154572     10.18847411    -13.57977019
  H     11.62770220      8.57068016    -10.43394964
  H     14.34731053      9.31678536    -12.93530902
  O      8.54057015     10.95835694     -9.06065841
  H     12.31445494     15.36454417     -8.88623465
  H     15.13196156      8.68443415    -11.74491401
  O     13.75318169     11.52328487    -15.03649065
  H     11.12989110     14.74297077     -9.65308955
  H     12.76683690      7.45621064    -13.01304417
  O     14.95912900      9.51256239    -12.21306449
  H     14.30078201     14.68934744     -8.34090280
  H     12.10750932      6.98411953    -11.69273341
  O     12.81338887      6.78283570    -12.32406194
  H     14.08997909     15.33275142     -6.95082561
  H     11.52151170     12.65855724     -8.29630785
  O     12.12797180     12.45775683     -7.56850189
  H      9.61313823     12.43841268     -9.41904132
  H     12.64508825     13.26066960     -7.42514329
          69
 Energy    -249.30680899492850     
  O     10.93931586      8.70697148    -15.01925176
  H     10.61943394      9.39650951    -14.42560950
  H     18.68052249      9.30934083    -14.93907220
  O     15.80357673      8.05347824    -10.88758872
  H     11.02346895      9.11326520    -15.89128449
  H     17.36626280     10.70039515    -10.37087770
  O     16.32045223     11.94566669    -14.38474275
  H     15.90354026      7.68588121    -11.77627583
  H     18.73330298     10.05323056    -10.05206485
  O     11.52222006      9.87484549    -17.59570484
  H     16.61964575      8.53474106    -10.71124012
  H     16.38615244     10.94569132    -17.38424683
  O     13.96198132     10.71882901    -13.62860441
  H     16.89418425     11.22657411    -14.08196093
  H     15.04085586     10.34022386    -16.93910229
  O     12.79727791     13.98662824    -12.20818423
  H     16.10442880     11.77198056    -15.31181454
  H     10.60223750     11.03858953    -12.46121169
  O     14.06786842     10.19303203    -10.92877547
  H     11.94946138     10.74195783    -17.47474924
  H      9.18339788     10.93186000    -13.06251573
  O     12.00945883     12.54658833    -14.48662526
  H     10.99235922      9.93681458    -18.38582895
  H     15.75927960     12.21846860     -9.14193408
  O     16.45495327      7.67567769    -18.00951637
  H     13.25736545     11.29416698    -13.94937538
  H     15.26202414     11.28922058    -10.27521454
  O     17.54348677      6.44841704    -15.85229585
  H     14.79862699     11.13624625    -13.87061488
  H     12.60559838     12.42838051    -16.23006503
  O     16.10650960      7.46272465    -13.64402487
  H     13.76291422     13.86391401    -12.23516938
  H     13.82903146     12.03086341    -17.10193069
  O     18.97559228      8.94127878    -15.78247202
  H     12.64417594     14.90142233    -11.98687963
  H     17.90598004      9.84919242    -12.49194879
  O     17.97981151      9.99665713    -10.63474781
  H     14.53811889      9.35103801    -10.84329453
  H     17.10217678      8.98449124    -13.50023097
  O     15.55868755     11.15814330    -16.93398745
  H     14.01112703     10.38592138    -11.87725342
  H     15.84250354     13.12412517    -13.04125372
  O     10.10929405     10.86919000    -13.28352107
  H     12.23449791     13.16025365    -13.77474580
  H     15.78105980     13.05333185    -11.49780291
  O     16.00280154     11.85383830     -9.98938343
  H     11.24283991     12.03731283    -14.19038892
  H     13.20190030      9.04797174    -17.40856376
  O     12.87543434     12.17540834    -17.12408709
  H     16.96467510      8.47562863    -18.18406473
  H     13.94397776      8.46286469    -16.18703171
  O     17.68958670      9.75157416    -13.42627437
  H     15.56009078      7.97607786    -17.79515647
  H     12.00047973     12.43598414    -11.37726043
  O     15.47229997     13.55684066    -12.25915730
  H     17.12383344      6.81461800    -16.65171941
  H     12.37359972     11.02179789    -10.88913533
  O     14.07091528      8.77127697    -17.09507333
  H     17.82850269      5.56552239    -16.07193489
  H     18.65429521     10.45011804    -18.56992601
  O     11.62393063     11.58228936    -11.12828896
  H     15.18696965      7.56937145    -13.92878341
  H     18.38358807      9.76830649    -17.20782307
  O     17.95569374     10.14144231    -17.99951060
  H     16.57718543      7.01054510    -14.35501083
  H     13.74222358      9.04118979    -14.13153993
  O     13.56131679      8.14062615    -14.44370246
  H     18.64868331      8.03312885    -15.79222123
  H     12.60394896      8.11396238    -14.58262698
          69
 Energy    -249.30642115501450     
  O     17.34254635     10.25655789    -17.46706011
  H     17.30865674      9.60777293    -16.74627732
  H     17.47074644      6.13088222    -12.38870415
  O     14.58535739      6.54524025    -13.44563222
  H     16.68228256     10.92650714    -17.26155733
  H     22.01968800      8.36183011    -17.22675385
  O     19.84019940      7.79283286    -14.46563380
  H     14.96679604      6.28936869    -14.29829434
  H     20.78427068      9.25537386    -16.96355120
  O     14.53595270      7.34254107    -18.14716122
  H     15.31189623      6.54800630    -12.81261709
  H     16.77642089      7.62263927    -15.58005569
  O     17.51780731     12.29192132    -11.37764886
  H     20.39857803      7.96458093    -15.23414924
  H     18.14277339      8.18365529    -15.07757938
  O     15.68279477      9.86185098    -13.66594941
  H     20.00869295      8.47312031    -13.79951854
  H     15.76542311     12.29874715    -15.63641520
  O     19.31243308     11.86726730    -14.46065701
  H     14.29275247      8.15295370    -17.66455500
  H     15.01855425     12.85135006    -16.86694246
  O     18.50216827      5.52318673    -13.64718356
  H     13.79519362      7.12465267    -18.70658073
  H     17.24140249      8.36294576    -11.43822284
  O     13.15546123      8.74204719    -14.01598599
  H     17.42278716     11.35101059    -11.19028336
  H     16.70525131      9.55834644    -12.22929151
  O     17.99445809      4.54780413    -16.30630176
  H     18.46761739     12.46110132    -11.39041689
  H     13.54517821      9.28084418    -15.78538691
  O     15.74824235      6.13897047    -15.93229252
  H     16.20858577      9.32645904    -14.28082728
  H     14.31948955     10.36703435    -16.56969199
  O     16.89193047      6.51133130    -11.70354122
  H     14.77247116      9.54981170    -13.70711402
  H     21.03597735     13.21124106    -11.89479031
  O     21.13556707      8.35148929    -16.87073097
  H     19.40925520     11.03386317    -13.97819281
  H     20.07654127     12.54708333    -12.90624525
  O     17.25709172      8.43363170    -15.36880169
  H     18.37273225     12.09110642    -14.42789702
  H     18.99278668      9.61254100    -12.17197802
  O     15.36168307     12.04764025    -16.48261075
  H     18.31656677      5.06551353    -14.47422471
  H     20.20987437     10.57854900    -12.14829033
  O     17.34138443      9.31796986    -11.53891510
  H     19.09096924      6.25396200    -13.88633513
  H     19.85101448      7.07160722    -17.55136570
  O     13.86829460      9.52139746    -16.66313139
  H     13.59244243      7.90048989    -13.78633497
  H     18.49926571      6.95345513    -18.30205935
  O     20.33753398     12.56620116    -11.97045447
  H     12.33268876      8.76829914    -13.53614412
  H     16.82769560     12.60652847    -13.09956962
  O     19.84578287      9.80555274    -12.59189109
  H     18.19305681      3.69525319    -16.68250833
  H     16.19150369     11.49088367    -13.92457909
  O     19.15374771      6.45347211    -17.79120516
  H     18.46532096      5.21023771    -16.84659684
  H     19.91583121     11.28906505    -16.15853350
  O     16.57131033     12.38222211    -14.00444505
  H     15.32204143      6.41879476    -16.75257628
  H     19.12136994     10.67362996    -17.31333573
  O     20.02290033     10.80781538    -16.98799296
  H     16.44003486      5.49750723    -16.14089724
  H     17.27440120      8.83484651    -18.67804316
  O     17.19238603      7.94753444    -19.05294058
  H     16.88311962      5.88608709    -10.98270395
  H     16.28282394      7.68504963    -18.87044852
          69
 Energy    -249.30612413893846     
  O     16.99481482     11.22507930    -11.39887512
  H     17.73016061     10.99304152    -11.97466023
  H     17.68238788      7.30141734     -9.18484266
  O     13.01765845     11.53601958    -10.24114133
  H     16.18183934     11.17704217    -11.91883041
  H     17.65778475      7.54304180    -15.18214722
  O     15.00148626      8.18385257     -7.93005006
  H     13.50876698     11.52660882    -11.07139785
  H     16.91978994      6.21520772    -15.44799090
  O     16.75641739      5.99340571     -8.23467996
  H     13.63293849     11.81255368     -9.55201543
  H     19.31674162      7.96124977    -11.00816309
  O     13.06661429      9.96351894     -6.93867464
  H     15.59151806      7.42678414     -7.84321131
  H     19.56973371      7.12842906    -12.28196728
  O     11.37636819      9.60946503     -9.23794189
  H     15.52390121      8.90095899     -8.31819511
  H     14.58818836     12.79109440     -7.31150648
  O     14.99689260     10.36622849    -15.38206620
  H     17.02150570      5.27759492     -7.66427571
  H     14.02895444     11.35354869     -7.43945024
  O     15.17984724      5.50966224    -15.12858668
  H     16.11574838      5.62765792     -8.87216272
  H     12.29051138      7.98679770     -9.53610266
  O     14.44907652     11.00095320    -12.64344763
  H     13.70203944      9.25030744     -7.09359804
  H     13.71161916      7.61847805     -9.08478880
  O     16.44657441      7.82142543    -12.07458536
  H     12.36389212      9.82795269     -7.58647366
  H     18.01010800      9.66767379    -14.06932945
  O     16.25335451      5.09345313    -12.55585587
  H     11.92558620     10.29654430     -9.65769877
  H     16.91316665      8.70419354    -13.57585954
  O     18.00144170      8.03674853     -9.72343870
  H     10.46805610      9.85702564     -9.38769874
  H     18.64706441      5.89414875    -14.03859400
  O     17.79927093      6.60951605    -15.38905688
  H     15.83830647      9.97433857    -15.08879115
  H     19.68058381      4.90196179    -13.45358533
  O     19.80993405      7.95110986    -11.84112021
  H     15.18033384     10.84305173    -16.18724026
  H     14.09053520      8.66399213    -15.17457900
  O     14.60276717     12.01520274     -7.86518123
  H     14.69357477      4.92069333    -15.69920213
  H     13.62820172      7.94733212    -13.89689463
  O     13.00321661      7.35315644     -9.69056682
  H     14.65488186      6.32748256    -15.05822266
  H     15.26357817      5.07466565    -10.93800330
  O     17.23536580      9.17140859    -14.36267251
  H     14.53276624     10.99549361    -13.60302453
  H     14.15381270      5.76404909    -10.08166927
  O     18.98542017      5.50835273    -13.21010044
  H     14.13447393     10.11352985    -12.40870556
  H     19.54564755      9.51549815    -12.57165502
  O     13.79968521      7.80858103    -14.83966600
  H     16.97381590      7.96124502    -11.27919483
  H     20.08889893     10.89333262    -13.01885181
  O     14.92318855      5.18426195    -10.04091127
  H     16.39153948      6.86787541    -12.22126097
  H     13.40901122      8.02676585    -11.31630521
  O     19.29636034     10.36574527    -12.97722912
  H     17.20889007      5.05746919    -12.69847911
  H     14.74300523      8.20492714    -12.07600991
  O     13.78968979      8.37690405    -12.12974982
  H     15.83669776      5.13059774    -13.42801742
  H     16.01252341     10.94272839     -8.46472416
  O     16.55683224     10.28244610     -8.90991452
  H     17.64471187      8.85024435     -9.34106793
  H     16.72975590     10.63852823     -9.79706977
          69
 Energy    -249.30575472288339     
  O     13.03339848      9.39462307    -16.01632018
  H     13.68237014      8.75093846    -16.33476960
  H     16.63755567      4.95621916    -15.37787384
  O     17.74021812      6.82926446    -13.21834568
  H     13.48177736     10.24626167    -16.04640904
  H     20.49652435      8.25936264    -14.44014471
  O     17.41852501     10.66483201    -11.52237421
  H     17.41817276      7.58093033    -13.74283951
  H     19.53703465      7.70659839    -13.36499209
  O     18.90805703     10.52266603    -15.76509477
  H     17.77033159      6.07560824    -13.82173430
  H     16.09719848     11.13224236    -17.12064960
  O     14.96974658      5.17528371    -15.59759419
  H     18.19743774     10.96140171    -12.00686593
  H     17.61656042     10.87393973    -17.04701854
  O     15.10857693      9.96449025     -9.87570734
  H     17.65252319      9.78146403    -11.19485953
  H     17.54690639      9.37493219    -15.17806179
  O     15.16430045      6.71978424    -11.88216763
  H     19.58084218      9.88245497    -16.03472677
  H     16.29160061      9.51417085    -14.28106975
  O     15.40552817     10.82180639    -13.40404904
  H     19.17565125     10.85487083    -14.89906995
  H     10.78428901      8.29180181    -14.08049781
  O     18.71175580      6.82806848    -17.14025688
  H     14.93358355      6.01523918    -16.07524611
  H     12.14247680      8.66535150    -14.72126442
  O     15.77451228      7.40420032     -9.22100561
  H     14.28238136      5.23195481    -14.91991266
  H     18.05701065      7.56647306    -11.47909008
  O     20.68984553      8.41595070    -16.30169671
  H     15.85975357     10.39786500    -10.29800997
  H     17.43143356      7.78227594    -10.08467716
  O     17.60670764      4.93711137    -15.26468698
  H     14.46852139      9.79560870    -10.58106149
  H     13.77982423      5.95724534    -12.91238439
  O     20.25540407      8.33123066    -13.50694299
  H     16.01388967      6.66892010    -12.33420754
  H     12.59308068      6.49744795    -13.73205971
  O     16.85024807     10.81729308    -17.63444246
  H     15.34814644      6.80080797    -10.93688434
  H     20.54671011     11.42141232    -12.77980405
  O     16.82876286      8.87632701    -14.76895615
  H     16.11137516     10.88539701    -12.74512931
  H     19.96807485     10.03264730    -13.13854430
  O     11.72688193      8.24572845    -13.94642002
  H     14.70722117     10.27439703    -13.01537211
  H     16.88314274      9.26226758    -18.41998868
  O     18.09395557      8.12818800    -10.69540593
  H     18.05043917      7.24518487    -17.70536244
  H     16.83132543      8.40478044    -19.70839770
  O     13.13312155      5.71224747    -13.58757945
  H     18.26410728      6.18784104    -16.57523712
  H     12.90810853      8.86362987    -12.68402091
  O     19.76155907     10.98450611    -13.10051281
  H     15.50851952      8.33458074     -9.33528918
  H     14.21057385      8.27033771    -12.09669003
  O     16.89151998      8.34839516    -18.75878503
  H     15.54861757      7.15758377     -8.32876984
  H     14.97932545     11.50296786    -14.99451360
  O     13.68920076      9.08365507    -12.16128558
  H     21.46963082      8.28391912    -16.83303081
  H     14.44185976     12.63896673    -15.89147191
  O     14.72569675     11.72774637    -15.90563057
  H     20.01149366      7.79860692    -16.63322574
  H     15.72460689      8.09312787    -15.99686426
  O     15.14847487      7.72589766    -16.68370099
  H     17.87397769      4.02505377    -15.33863314
  H     15.61143490      7.86224879    -17.51871593
          69
 Energy    -249.30529818474008     
  O     10.49702341     10.53121482    -11.82912418
  H     10.12510840     11.34857713    -11.50765670
  H     14.72086500     11.94419752    -15.29557431
  O     13.94778846      7.12639482    -15.24943146
  H     11.39542565     10.73662872    -12.13756653
  H     15.29044454      8.51938224    -12.54649396
  O     17.11503203      9.29914620    -10.17426975
  H     14.59017317      6.80721924    -15.89132359
  H     16.11715348      7.39129438    -13.27731650
  O     12.47292934      9.45185271    -15.27415757
  H     14.48273696      7.58833073    -14.58022920
  H     10.52360727      8.85155118    -10.91606908
  O     15.43296018      5.45681613    -10.24375797
  H     17.37380029      8.40276728     -9.92591139
  H     10.28412809      7.38572156    -11.32483593
  O     12.82721826      5.64736003    -13.19535070
  H     17.75862790      9.58070716    -10.83557134
  H     18.53934431      6.77424197    -11.50033642
  O     14.56681289      9.33695554    -11.13658430
  H     12.91423342      8.59572422    -15.35709153
  H     18.92893243      7.92014572    -12.45117468
  O     16.44143509      9.34548804    -16.74024490
  H     11.56192404      9.28273485    -14.99239910
  H     11.06097081      6.00095659    -13.04379076
  O     15.10403006      4.06400386    -12.72395965
  H     15.33963420      4.87940815    -11.00994954
  H      9.58116068      5.56099391    -13.04961375
  O     17.08804970     10.38534843    -14.19576008
  H     14.62713000      5.98980286    -10.21534875
  H     19.71470752     10.41714159    -12.33783205
  O     16.41151388      6.63706219    -16.57678091
  H     13.50156265      4.97980706    -13.01719201
  H     18.36321540     10.11145379    -13.02202689
  O     15.03669112     12.19841329    -14.41948107
  H     13.13564475      6.13642547    -13.97165783
  H     17.69173046      6.08199381    -13.48120219
  O     15.60647413      8.19887560    -13.40166658
  H     15.41750605      9.39305457    -10.67559381
  H     16.86762432      6.00720898    -14.82687848
  O     10.58442548      7.94279624    -10.59576516
  H     14.08619299      8.55512927    -10.83137651
  H     18.22083582      6.18760460     -8.98353646
  O     18.76486750      6.97012572    -12.41953712
  H     15.65287297      9.87454066    -16.91047715
  H     16.97447537      6.15174611     -9.89855444
  O     10.14965553      6.31976221    -12.94166330
  H     16.85231627      9.74831043    -15.96428585
  H     13.60271425     11.39812202    -17.57062912
  O     18.96974493      9.82215546    -12.31878357
  H     15.34346204      3.15307211    -12.87324310
  H     13.43466679     10.46894306    -16.34723717
  O     16.90653002      5.70606743    -13.91109376
  H     15.77325870      4.60938121    -13.17535932
  H     12.26746777      7.33193590    -10.48206599
  O     17.84128295      6.57601853     -9.76706245
  H     16.56089235      9.60961862    -13.94902119
  H     13.07397919      6.58673627    -11.56701655
  O     14.08301983     10.98298948    -16.85866188
  H     16.47383018     11.13352168    -14.22354054
  H     12.92235849     10.31722950    -13.65650013
  O     13.15240856      7.00441607    -10.69969860
  H     16.74622062      6.27478608    -17.39263270
  H     13.59468791     10.36234579    -12.23717417
  O     13.03270088     10.85147427    -12.85769381
  H     16.46191471      7.60651340    -16.66383871
  H     10.00266780      8.01504356    -13.80460346
  O     10.04729632      8.91621260    -14.14705019
  H     14.34524591     11.92742029    -13.80247784
  H     10.03823567      9.49438887    -13.37347218
          69
 Energy    -249.30491357227243     
  O     12.73530974     13.24317638    -11.04382447
  H     11.81477062     13.48247172    -11.20683546
  H     13.89350922     14.56217420    -16.13628528
  O     12.79389258     11.49899473    -16.05281425
  H     13.23922746     13.56788636    -11.80720110
  H     14.79204359     13.39511658    -13.36429520
  O     12.59189997     10.45862914    -11.42129731
  H     11.83108219     11.45443751    -16.01360153
  H     13.75073000     14.35229222    -13.97311787
  O     18.06833671     11.75735269    -12.34898471
  H     13.10691617     10.93325956    -15.33039890
  H     16.40281877     14.62476637    -16.33309390
  O     10.13818540     13.80478757    -11.92300761
  H     12.69877048     11.40065526    -11.22760402
  H     15.85587299     15.29148550    -17.61572929
  O     10.16090673     11.04638590    -12.74135836
  H     13.30754611      9.99028518    -10.97384037
  H     16.56583002     11.91686579    -13.40672277
  O     13.80323482     10.08790874    -13.91238894
  H     17.57620825     11.65808069    -11.51776822
  H     15.92729449     12.03109409    -14.83275693
  O     16.17464869     15.12905505    -11.44011247
  H     18.35402973     12.67572638    -12.42246677
  H     18.35420343     10.30392343    -13.29474616
  O     10.04426712     11.47706231    -15.42780950
  H      9.40535550     14.33509449    -11.62211829
  H     19.17009915      9.08654317    -13.78859445
  O     17.82160877     14.18230971    -15.44437605
  H     10.27362640     14.02239668    -12.86337443
  H     14.57524614     11.64393374    -16.71045681
  O     18.16615498     11.47915033    -16.05493984
  H     10.91295160     10.67292885    -12.26461141
  H     15.51908652     12.83929269    -16.97859302
  O     13.08741191     14.28416155    -15.68363559
  H     10.03457702     11.92967756    -12.37305418
  H     15.28284563      8.84977263    -11.27093648
  O     14.21404912     14.14486174    -13.15371170
  H     13.28207651     10.16758959    -13.10307256
  H     14.92388974      8.38348781     -9.84105615
  O     15.60689522     14.72996217    -16.88625243
  H     14.51143206     10.74880898    -13.84194153
  H     16.69578404      8.76019414    -13.27250920
  O     15.73525808     12.01002832    -13.88767900
  H     15.85410128     14.72102057    -10.62841829
  H     15.15594862      8.85157626    -13.40076536
  O     18.33711552      9.53967403    -13.89777434
  H     15.47895875     14.96967019    -12.09374410
  H     15.96477956     12.18606232     -9.81106494
  O     15.50473655     11.89291557    -16.78368905
  H      9.28389216     11.03708236    -15.79824075
  H     15.94540029     10.67964330    -10.16790310
  O     14.89093626      9.13612883    -10.42595914
  H     10.07994313     11.23015974    -14.48604087
  H     10.24095973     13.32989564    -14.97423784
  O     15.86864093      8.47200936    -12.86938084
  H     18.09345183     13.27543451    -15.65012904
  H     11.34031886     14.40542050    -14.99392905
  O     16.50640453     11.46463744    -10.15147736
  H     18.06402768     14.34298315    -14.52665083
  H     19.19492595     15.10806785    -12.39892546
  O     10.49593582     14.17623081    -14.58505405
  H     17.30792315     11.40746259    -16.49554650
  H     17.69543188     14.78048298    -12.20106103
  O     18.50582324     14.50575325    -12.66635186
  H     18.21691290     10.74497732    -15.43304260
  H     14.58957862     13.92739735     -8.46828409
  O     14.85546228     13.64290856     -9.33913893
  H     13.00588730     13.32854016    -15.82272754
  H     14.04017881     13.51307609     -9.85183440
          69
 Energy    -249.30484423620430     
  O     11.68332983     11.22754195    -15.19133204
  H     12.36447690     11.89455360    -15.04199313
  H     16.39651752     11.40350244    -16.35540420
  O     15.93370937      6.94857399    -13.35990135
  H     11.29753827     11.00785369    -14.33426639
  H     16.24471699      9.88879447    -14.61020954
  O     17.04547313     10.94261714    -11.21772381
  H     15.11806879      6.94712585    -12.83953414
  H     15.67866092      8.64543325    -13.85386184
  O     17.76164473     10.71946360    -15.31049470
  H     16.63957150      7.24093412    -12.76322405
  H     10.87869264      9.14891888    -13.11005403
  O     13.88920917      9.47046079     -8.70076321
  H     16.86723440     10.83543055    -10.27438579
  H      9.69460663      9.99380768    -12.58079635
  O     13.68902083      7.36544952    -11.75046022
  H     16.24274794     11.28752369    -11.63288043
  H     17.34094660      7.66410008    -10.00713307
  O     14.76529805     11.65361583    -12.64436425
  H     18.31003753      9.98807597    -15.62408750
  H     16.90688981      8.51903680     -8.80622100
  O     16.87418242      7.14420133    -16.04592302
  H     18.21730190     11.10583374    -14.55252184
  H     12.13272046      7.94817090    -14.42232572
  O     14.40363793      6.67379287     -9.12346522
  H     13.92838439      8.50681775     -8.72928883
  H     12.26435355      7.34793497    -13.00721233
  O     19.23946321      8.42450468    -15.95355224
  H     13.46774857      9.74432473     -9.52768674
  H     19.55235503     12.33770432    -12.68840752
  O     19.98425454      8.81926477    -13.22423508
  H     13.49963970      8.30525977    -11.61946479
  H     18.40000983     11.39223851    -12.27861413
  O     15.53255948     11.53593068    -16.77075391
  H     13.87271972      7.00512735    -10.87383018
  H     18.61341529      8.28840673    -12.19009615
  O     15.47387277      9.54394844    -14.14175641
  H     14.48568146     12.28707020    -13.31451570
  H     17.44124557      9.10783240    -11.59484543
  O     10.62373383     10.03425264    -12.79092616
  H     14.99736324     10.85108892    -13.14403610
  H     15.48754131     10.12324297     -8.56240686
  O     16.94995588      7.60958607     -9.12406770
  H     16.21350855      7.63474365    -16.54946027
  H     16.56557055     10.84877832     -7.72168125
  O     11.61928949      7.65809342    -13.65585091
  H     16.48440543      6.91958476    -15.19096727
  H     14.24670983      8.75481046    -16.97768317
  O     19.07668002     11.55589433    -12.95712029
  H     14.31714123      5.90072265     -8.57268081
  H     14.67142081      8.45520879    -18.43253252
  O     17.76939117      8.20866896    -11.72284218
  H     15.34498130      6.92509949     -9.11114583
  H     12.10523450     10.12512328    -11.69435830
  O     16.42292705     10.39710827     -8.54901218
  H     19.79961425      8.14118819    -16.67079177
  H     13.54511515     10.70718765    -11.68739067
  O     15.00418305      8.75208857    -17.58887786
  H     18.42786886      7.88694220    -16.00053404
  H     14.50143317     12.46506480    -15.66549633
  O     12.96477441     10.06392255    -11.25905494
  H     19.85998589      9.77285643    -13.14368594
  H     13.91857715     13.85708402    -15.34329448
  O     13.97303495     12.96261914    -15.01632832
  H     19.82343459      8.60971499    -14.15324778
  H     13.94740560      9.19684177    -15.06250677
  O     13.17750103      8.97640334    -15.60778408
  H     15.31313398     10.68390444    -17.16329935
  H     12.59573019      9.75137055    -15.58999474
          69
 Energy    -249.30414592656899     
  O     10.82835978     10.70623979    -11.83620037
  H     11.61986466     11.07394097    -12.24936190
  H     15.29888798      7.43843965    -17.72233187
  O     13.64258503      7.18957843    -15.21979704
  H     10.34382283     10.26147491    -12.54333832
  H     17.65454939      6.48983732    -15.33269340
  O     17.69441710     10.51723377    -11.93139439
  H     14.03312001      6.82678094    -16.02346680
  H     16.88589976      6.50803767    -16.67490341
  O     18.33253897      9.34124301    -16.65069427
  H     14.32549019      7.75860305    -14.82710240
  H     15.36383964     13.53469281    -15.08346424
  O     12.13058522      9.51876462    -15.16687327
  H     16.74939981     10.39836750    -11.73118291
  H     15.85407899     12.08558603    -14.85187078
  O     16.11457451      6.63182846    -10.08900686
  H     18.03961099     11.11726656    -11.27423122
  H     15.30709098      9.04962947    -13.15885319
  O     13.14196451      6.15686060    -12.68721721
  H     18.17921705      8.39083208    -16.50121888
  H     16.03572391      9.40832781    -14.46389819
  O     15.00917780     10.05500379    -11.64505682
  H     19.12368267      9.40853746    -17.17894924
  H     10.97701088      9.52767864    -10.55605853
  O     15.71635818      9.08884546    -17.94091689
  H     12.56371528      8.65725975    -15.24432908
  H     10.56666957      8.99873015     -9.15935577
  O     15.52072908      4.72696696    -12.22084212
  H     11.23905358      9.35791919    -14.83427671
  H     11.34501871      6.60010130    -12.35259482
  O     17.17423838     10.91383300    -14.68851942
  H     15.93955022      5.86946763    -10.65290202
  H     10.61680968      7.49780743    -11.32863616
  O     15.13161648      6.50392299    -17.49450651
  H     15.27881759      7.11401756    -10.06005563
  H     16.57290169      7.21105690    -13.76467162
  O     17.73314676      6.72452141    -16.26732721
  H     13.86624490      5.54413767    -12.50692790
  H     17.73577380      6.80646234    -12.84279876
  O     15.06167137     12.64563497    -14.91609375
  H     13.24802438      6.44598633    -13.60455153
  H     18.20632499      8.64492475    -11.55140924
  O     15.54865256      8.70137588    -14.02658070
  H     14.54975027      9.35229453    -11.16414861
  H     17.62004253      7.40260443    -10.83231357
  O     11.05969340      8.77447924     -9.94355065
  H     14.34320883     10.56224139    -12.13088061
  H     13.19582013     10.45934592    -16.40847356
  O     10.50546626      7.04326940    -12.17283749
  H     16.58291162      9.33351207    -17.60256846
  H     14.24945152     11.57829189    -16.31246394
  O     17.16481456      6.47528963    -13.55307867
  H     15.08667883      9.75691571    -17.63036876
  H     13.46325120      7.34386885    -11.31802597
  O     18.33220656      7.69960464    -11.42030081
  H     15.82756908      3.82604655    -12.28309082
  H     12.79142697      8.21324995    -10.22232750
  O     13.91276736     10.88794236    -16.89380358
  H     16.13091322      5.26817798    -12.75091478
  H     13.75515184     11.90333094    -13.79241494
  O     13.64605987      7.93808104    -10.57606647
  H     17.70465295     10.42765048    -15.33495660
  H     12.84706766     10.65795786    -13.93323543
  O     13.18286229     11.30607941    -13.29554090
  H     17.53490721     10.76883655    -13.80334451
  H      8.80890874      8.86692724    -14.14921534
  O      9.70660140      9.00902800    -13.86190654
  H     14.95110849      6.04982598    -18.31299758
  H      9.95000335      8.24677152    -13.30590015
          69
 Energy    -249.30334518223862     
  O     15.18274525      4.04698078    -15.84239339
  H     15.94072979      4.65448103    -15.76792559
  H     13.05388807      8.91281568    -11.96372878
  O     12.63044461      8.27824452    -13.56679685
  H     15.45603057      3.34485652    -16.42697125
  H     15.82958707      8.82512585    -13.59694116
  O     11.71095191      7.39789700     -9.81084922
  H     13.57049559      8.23249142    -13.80503816
  H     15.62606570      8.06931152    -14.93443698
  O     13.10615298      5.92788669    -16.37664677
  H     12.27966889      7.38449353    -13.66320546
  H     18.39073345      7.07735253    -12.49366858
  O     17.04544921     10.85414653    -15.55484993
  H     12.37219597      6.87245098     -9.34423317
  H     17.38583603      5.98527656    -12.79362571
  O     17.22734085      5.82018160    -15.68189758
  H     12.18728255      8.15185302    -10.18094678
  H     12.41808288      9.48523154    -14.99038979
  O     13.80824281      5.67240491     -8.83682430
  H     13.79813750      5.26595364    -16.25503190
  H     12.92987939      9.49963433    -16.44152813
  O     16.30480050      8.32237819    -16.62460446
  H     12.51502477      5.84387347    -15.61883956
  H     13.74217503     11.26731044    -15.07243963
  O     10.45155351      5.57241774    -11.39914132
  H     17.78751827     11.41587664    -15.76638556
  H     15.25249644     11.59247218    -15.11587775
  O     12.76873299      4.01455505    -10.71840854
  H     17.12216912     10.63641028    -14.61072277
  H     11.20605158      5.59263503    -13.10962901
  O     13.98475501      3.97750223    -13.27308674
  H     17.05169014      6.66339472    -16.11793961
  H     12.53796468      5.03157264    -13.65777238
  O     13.40741556      9.25310260    -11.12659917
  H     17.70577271      6.02088436    -14.86646353
  H     13.35534924      8.18472099    -18.53703147
  O     15.31735223      8.12705790    -14.02219728
  H     13.83643851      5.20904066     -8.00396215
  H     13.45326121      7.39153028    -17.21239874
  O     18.23797182      6.33831738    -13.08790144
  H     13.50131524      5.03006915     -9.50207456
  H     14.57425397     12.50818127    -11.60001475
  O     12.60216754     10.07082025    -15.73721050
  H     15.45321722      8.36347365    -17.08183481
  H     14.50002785     11.74577064    -12.94531261
  O     14.43385274     11.80583152    -14.65771394
  H     16.57560553      9.22497298    -16.41436663
  H     15.47851777      6.65775792    -13.02703656
  O     11.80594296      5.63115577    -13.86471607
  H     10.83285448      6.28522347    -10.85660065
  H     15.47531928      6.41602164    -11.50420236
  O     13.70387249      8.22591127    -17.65036838
  H      9.53548079      5.49549133    -11.14619640
  H     17.32733632      9.64640460    -12.18976349
  O     14.66738067     11.64283289    -11.98906829
  H     11.91324381      4.40164407    -10.94254573
  H     16.20704635     10.70778635    -12.45374455
  O     15.56379643      5.96649964    -12.35178626
  H     13.19532324      3.80867791    -11.56002777
  H     17.04937047      8.12752222    -10.56555357
  O     16.89230646     10.17077966    -12.87462985
  H     14.57156717      4.64549137    -12.88055200
  H     18.50854812      8.48593213    -10.21591860
  O     17.88791386      8.44614294    -10.93962409
  H     14.35844289      3.79691797    -14.14323169
  H     14.93387969      6.95419085     -9.53137715
  O     15.39210191      7.60476875    -10.07953938
  H     13.76158434     10.12825261    -11.32042950
  H     14.71827971      8.20992159    -10.42449061
          69
 Energy    -249.30331413772632     
  O     13.48147999     10.06446457     -8.60645595
  H     13.49327950      9.71675427     -7.71857913
  H     15.56475656     14.78885622    -16.70490312
  O     11.33443458     12.16941291    -14.97667016
  H     14.21627283     10.70125923     -8.66671098
  H     13.56375723     12.97230135    -11.18804541
  O     13.83300350      8.53088385    -10.98307800
  H     11.89627156     12.27945818    -15.76038414
  H     13.68046032     14.04864864    -10.09343946
  O     18.18228045     12.79624802    -12.85352487
  H     11.47476516     12.91420283    -14.37819325
  H     15.29768136     11.64613205    -11.95731804
  O     11.43321152     11.39869864    -10.04753528
  H     12.94870283      8.60241201    -11.36140927
  H     14.04348327     11.36668387    -12.85282690
  O     11.31825473      9.40565014    -12.00920538
  H     13.78558601      8.99736218    -10.13890589
  H     16.43157438     12.58898119    -15.61279551
  O     13.09303401     10.29091880    -13.92835606
  H     17.76853651     12.51237162    -13.68992904
  H     16.47094026     11.13890006    -15.05824067
  O     15.36327882     14.58385664     -9.39980579
  H     19.10497822     12.94813549    -13.03903299
  H     13.57522176     11.40725564    -17.22486081
  O      9.45178159     10.52914808    -13.83254104
  H     11.91325461     12.22479614    -10.20598848
  H     13.88410834     12.86582947    -16.84073324
  O     14.29248649     14.37972453    -13.78261970
  H     11.99800579     10.90123509     -9.44268308
  H     15.34079663      8.43619597    -11.85849906
  O     11.58017088     14.14455157    -12.94226943
  H     11.32801431     10.10003089    -11.33289823
  H     16.60445164      7.58893590    -12.12869763
  O     15.31512127     13.97220491    -16.27998311
  H     10.58118140      9.61272852    -12.59740034
  H     14.62278486      9.76763373    -14.60745135
  O     13.04029940     13.57718688    -10.63632130
  H     12.54438520     10.93324835    -14.39688060
  H     15.88665776      9.05976524    -14.09900949
  O     14.51215926     12.04348699    -12.34859852
  H     12.52575763      9.87648584    -13.26560519
  H     15.01144841      9.35428464    -18.13865307
  O     16.95560438     11.97334140    -15.08720894
  H     15.60346153     15.33416745     -8.86300981
  H     14.99727909      9.63296863    -16.62924916
  O     13.15997507     12.24219749    -16.96812582
  H     15.78282752     14.71571548    -10.26849372
  H     16.78901696     10.07793400    -11.62645859
  O     16.20295900      8.43416858    -12.31362703
  H     10.06377642     11.09489340    -14.33495983
  H     17.42957642     11.50843740    -11.76515670
  O     15.52989105      9.52953409    -14.86042681
  H      8.77096178     10.25476816    -14.44130382
  H      9.96684280     12.21954516    -11.12608268
  O     14.57647222      9.87482799    -17.46777408
  H     14.47029706     13.52848080    -13.34972340
  H      9.30457651     11.91521014    -12.47825726
  O     16.84335354     10.95674674    -11.23030984
  H     13.35232995     14.54397773    -13.64537686
  H     15.71828970     14.89862858    -12.56839779
  O      9.50182544     12.63231613    -11.86384200
  H     12.10900416     14.10264611    -12.13219362
  H     17.05281460     14.20785319    -12.21504722
  O     16.41448175     14.86030694    -11.90134927
  H     10.72779134     13.77421702    -12.66857399
  H     16.11262076     11.45917378     -9.62149614
  O     15.56451853     11.76667770     -8.88610131
  H     14.94891022     14.20754797    -15.40994552
  H     15.52194833     12.72643435     -8.96616094
          69
 Energy    -249.30323793772925     
  O     14.78164282      3.09771500    -11.55184655
  H     15.03214982      2.17762072    -11.52943597
  H     13.79464736     10.07712339    -14.37173336
  O     14.87888411     10.12607723    -15.78146687
  H     15.48432202      3.56693414    -12.03278194
  H     16.76354742      7.83205234    -10.35353816
  O     17.50524601      9.82413700    -12.77902811
  H     15.62446431      9.52082280    -15.64627664
  H     16.95335035      9.11851581    -11.21980217
  O     14.76456048     10.76575620     -9.68456813
  H     15.20029678     10.81911253    -16.35341945
  H     13.75699177      7.41922191    -11.53926365
  O     11.31795012      7.99030300    -13.74381656
  H     17.24510998      9.32909195    -13.56715949
  H     15.10655162      8.19848054    -11.51201115
  O     19.23857462      5.09497734    -13.49538112
  H     16.89755131     10.57355069    -12.69700168
  H     13.14745006      3.87522226    -12.12904450
  O     12.39699307      5.73886698    -14.82867192
  H     15.37816119     10.02667990     -9.82972858
  H     12.39151502      4.72844541    -13.18679302
  O     17.10510034      6.04919781    -10.45720324
  H     14.97716998     11.13112547     -8.82905524
  H     19.99031515      7.94246726    -12.11964923
  O     12.20771649     10.50712127    -10.96554932
  H     11.88886870      8.76381037    -13.82129462
  H     19.23576297      9.15803951    -12.71570986
  O     19.52064270      7.38571016    -15.19599076
  H     10.95066970      8.02634916    -12.85243733
  H     14.83931507      6.92642882    -13.46599582
  O     15.47851508     11.63590489    -12.34123925
  H     19.57733141      5.47166856    -12.67389253
  H     14.20401203      6.11659263    -14.61720637
  O     13.34354698     10.02469552    -13.51620687
  H     19.35293073      5.77944692    -14.16595042
  H     16.27306897      7.57758560    -14.88337884
  O     16.48899251      8.75327977    -10.45110059
  H     11.97132331      6.53542282    -14.46320689
  H     17.74526738      7.95669211    -15.24615325
  O     14.39014436      7.90527692    -12.08616583
  H     11.88903821      5.48543410    -15.59474247
  H     20.35247969      6.15649955    -10.25952502
  O     12.35747232      4.41073535    -12.27701172
  H     16.96665512      5.62971233    -11.31764123
  H     18.87267381      6.28416866    -10.67879758
  O     20.01637107      8.59736431    -12.82808712
  H     16.36915630      5.74131364     -9.90729021
  H     11.10232322      9.15967081    -10.89953209
  O     15.05104080      6.40626553    -14.25828825
  H     12.49591321     10.53173419    -11.88747366
  H      9.70839809      8.54940278    -10.61476958
  O     16.86514841      8.31733754    -15.08357470
  H     13.01143139     10.58713549    -10.43762962
  H     16.09587415      5.20707862    -13.42393633
  O     19.78576315      6.41885825    -10.98102263
  H     19.78610814      7.85731986    -14.38477150
  H     17.54619959      4.68184815    -13.15514201
  O     10.56487958      8.35152858    -10.98351432
  H     20.21713853      7.51809210    -15.83358066
  H     14.73266461      4.29137381     -9.99119176
  O     16.62946038      4.64380610    -12.84649141
  H     14.73629598     11.26210897    -12.82983961
  H     14.02078294      5.59929954     -9.61537070
  O     14.79490762      5.05869765     -9.40882988
  H     15.24171801     11.54416167    -11.41013105
  H     11.84156501      7.06071696    -10.54315710
  O     12.61412459      6.48434120    -10.52799245
  H     13.72778468      9.28030264    -13.02393082
  H     12.42595382      5.73292661    -11.11447150
          69
 Energy    -249.30294098381319     
  O     17.34457059      9.97196187    -10.61764370
  H     18.17148898      9.46655180    -10.62997723
  H     13.31858457      9.09482461    -10.32857917
  O     13.83817995      5.43300540     -7.80156114
  H     17.46447694     10.76458633    -10.08045125
  H     13.47831205      9.43947579     -7.60350285
  O     17.54344974     12.11472715     -8.86058566
  H     13.08341096      5.66877334     -8.35411591
  H     14.01407264      8.73804054     -6.33798917
  O     11.86306351      6.37435388     -9.60644304
  H     14.57583298      5.31272195     -8.41507897
  H     18.52391144      5.09184065    -11.72842921
  O     16.18065699      8.69897299    -12.74913950
  H     17.46030773     13.05671448     -8.97980999
  H     18.72362558      4.10927362    -12.90386762
  O     19.47236506      8.21745355    -10.72816081
  H     16.92536067     11.86431722     -8.14804877
  H     15.67107015      5.61987697    -10.64520277
  O     21.04313236      8.76017568     -8.47431614
  H     10.92945702      6.18399874     -9.64304282
  H     15.91792868      6.54673657     -9.43112483
  O     18.62162643      5.60321668    -10.01213509
  H     12.20227545      6.29014712    -10.51549270
  H     18.61876608      6.72588401    -13.35495968
  O     12.89192104      6.43767771    -12.11373931
  H     16.98285236      8.39975019    -13.20136657
  H     19.09581936      7.98047954    -12.61735729
  O     16.01677219     11.32646013     -6.80174078
  H     16.50126813      9.23488211    -12.00810770
  H     17.69752506      9.10809233     -5.67080887
  O     13.53643358      9.22739636    -12.23237162
  H     20.11920789      8.43604569    -10.04542970
  H     18.14631042      9.77430353     -4.34754754
  O     13.25392586      8.83373587     -9.40191059
  H     19.13295862      7.33965177    -10.50448401
  H     15.02683462      8.48608914     -9.02513084
  O     13.83390340      9.60444866     -6.72132332
  H     20.57475409      9.52439997     -8.09292590
  H     16.44675689      8.87926477     -9.53053222
  O     18.30511874      4.93157973    -12.66239885
  H     21.97333965      8.90170486     -8.32149336
  H     19.15297728     10.55309165     -6.61932712
  O     15.87650890      5.61517686     -9.70153245
  H     17.67194533      5.50624024     -9.85144447
  H     19.01204711     11.31781301     -7.94962386
  O     18.65045189      7.68767994    -13.42363554
  H     19.01990238      5.77844654     -9.14685436
  H     14.24515532      6.37999724     -6.41127321
  O     18.00841389      9.94112165     -5.27598892
  H     12.97820320      7.38819328    -12.26028029
  H     14.09712195      6.59839520     -4.88907284
  O     15.96294719      8.25285277     -8.97799658
  H     13.75899349      6.06936393    -12.32675994
  H     16.47045794      5.47130084    -12.67111393
  O     19.62862761     10.79408411     -7.42488587
  H     16.62293045     10.95302789     -6.15203717
  H     15.81727221      6.86614985    -12.54046752
  O     14.50295798      6.96018929     -5.67220431
  H     15.21869473     10.77994664     -6.77270045
  H     20.04362484      7.26987073     -7.76266440
  O     15.63951056      5.91762782    -12.46811940
  H     14.46002578      9.07791263    -12.49592294
  H     18.69038846      6.86254012     -7.12986795
  O     19.47141506      6.51491164     -7.57883493
  H     13.20038033      9.91597804    -12.80113540
  H     16.75382799      7.98086054     -7.39114880
  O     17.06946992      7.69555976     -6.52005016
  H     12.72862757      8.02267199     -9.38564042
  H     16.28699590      7.34229799     -6.07840206
          69
 Ord_Energy   -249.302826    
 O   -2.50298905       2.55661798       5.08931065    
 H   -3.24621749       2.35470390       4.49067688    
 H   -2.35195017       1.77769470       5.61739111    
 O   -3.89008236       4.21686220     -0.486200392    
 H   -3.06380439       4.39643621     -0.961231053    
 H   -4.44080114       5.01370239     -0.509647787    
 O    2.24740386       6.55684090       2.81345034    
 H    1.54618967       6.65811539       3.46888828    
 H    1.99405038       5.78057146       2.29352093    
 O   -2.56398487       10.1069050       2.07449293    
 H   -2.51920581       11.0317507       1.85032964    
 H   -1.67740667       9.84348774       2.38430834    
 O   -4.12531137       1.75832665      0.606249869    
 H   -4.11458445       2.62405300      0.160270318    
 H   -4.61270857       1.16408730       4.18228991E-02
 O   -2.95937061       5.32103777       1.90351987    
 H   -2.84872627       6.24028921       1.62785983    
 H   -3.24749112       4.84650183       1.11158407    
 O   -2.63742256       7.72581816      0.555227518    
 H   -2.61162376       8.58337402      0.994322598    
 H   -1.73242974       7.49037266      0.308356762    
 O   -1.37537122       1.81253660       1.27222693    
 H   -2.31242990       1.71269262       1.06059849    
 H   -1.32413185       2.42196679       2.01520491    
 O   -5.26703024       4.94342566       3.39935017    
 H   -5.85663605       5.64533806       3.10255480    
 H   -4.44079447       5.08763885       2.91236711    
 O   -5.13376808       6.64799547     -0.208051920    
 H   -4.29883957       7.12261105      -8.70893374E-02
 H   -5.65067339       6.83695698      0.583545625    
 O   0.360911876       2.64888883     -0.627546847    
 H   0.817841291       1.92916334      -1.05370283    
 H  -0.262376785       2.25369191       8.82175006E-03
 O  -0.293719679       6.67365503       4.18701363    
 H   -1.02379882       6.96027517       4.75288963    
 H  -0.504620492       5.77074099       3.92535233    
 O   -1.40675473       4.72076702      -1.53505504    
 H  -0.788592577       4.00100279      -1.35826600    
 H  -0.972415924       5.52235842      -1.22020626    
 O   -6.37498999       7.28502512       2.34497023    
 H   -5.65029287       7.75005245       2.80191970    
 H   -7.15950775       7.81201982       2.47035527    
 O   -4.29691029       8.49900150       3.60761666    
 H   -3.75500107       9.12797356       3.11458492    
 H   -3.73053670       8.14531708       4.30247211    
 O   -3.78600812       5.03211117       5.76932001    
 H   -4.43032789       5.03120995       5.04721737    
 H   -3.32698298       4.18701553       5.71129179    
 O   -1.02962744       4.01175833       3.23524833    
 H   -1.74122632       4.48645163       2.77113748    
 H   -1.43014014       3.52034497       3.96369839    
 O   -4.55760527       2.24716401       3.36980700    
 H   -4.99356937       3.11093688       3.38416862    
 H   -4.47923946       2.00214148       2.44049907    
 O   0.954408586       4.55983973       1.34749103    
 H   0.913908541       3.89366293      0.650638342    
 H   0.327032328       4.28932190       2.03239012    
 O    1.91585684       8.54630470      0.993333042    
 H    2.15647817       7.86194897       1.64464819    
 H    2.72710919       8.96712303      0.723253667    
 O   -2.56838465       7.42471933       5.64837790    
 H   -2.58878374       7.85398626       6.50007105    
 H   -3.00523043       6.56036139       5.75745583    
 O  -0.176175833       9.16056442       2.81335139    
 H  -0.222924128       8.30724525       3.26372194    
 H   0.549073398       9.09038353       2.18157125    
 O   -7.33647272E-02   6.79819345      -4.95252982E-02
 H   0.220806181       6.02911997      0.458603203    
 H   0.588770509       7.47954750      0.115188599    
          69
 Energy    -249.30211787321036     
  O      9.87281045      9.80048259    -11.10498212
  H      8.99344162      9.54309428    -10.84174429
  H     10.08006224     11.17749630    -18.05032355
  O     14.26352021     10.46953696    -12.77239352
  H     10.19788998      9.11442514    -11.71684311
  H     13.84888976     14.22585245    -15.06155345
  O     17.17978041     13.22311489    -13.78007861
  H     13.86487561      9.69790684    -12.35265926
  H     14.01158710     13.45608178    -13.73269294
  O     10.71948008     11.65599006    -13.07554785
  H     13.76901825     11.26367858    -12.53498445
  H     17.81469236     10.57510354    -15.24982878
  O     12.42713876     14.90516788    -16.06653810
  H     16.30084525     13.53622962    -14.03067595
  H     18.71157121     11.27120480    -16.29887570
  O     15.19333223     11.84490614    -16.53038963
  H     17.49877993     12.70623247    -14.52952089
  H     13.20274172     13.27156739     -8.78459949
  O     14.28639757      8.52540439     -9.38380500
  H     10.32437457     11.14295831    -12.36134216
  H     12.86258839     11.90407253     -9.43089331
  O     13.05014281     12.89864368    -12.29124945
  H     10.99951791     11.01749456    -13.74865655
  H     17.00908625      8.64458303    -13.97955138
  O     14.17888212      9.58045953    -15.32447422
  H     12.16307514     15.80823456    -16.22012283
  H     17.50577995      9.88427828    -13.20381236
  O     16.82962556     11.13949472    -11.99597613
  H     11.64325731     14.43590388    -15.72882030
  H     15.01383098     11.59577152     -9.48728908
  O     12.06006545     10.37821234     -9.39996845
  H     16.14154910     11.68303060    -16.44670055
  H     16.20329000     10.99794048    -10.27418749
  O     10.57955171     11.34350534    -17.25562733
  H     14.95305504     12.45854351    -15.81920364
  H     12.35660690      9.67302614    -15.22927447
  O     14.47040629     13.69203885    -14.55111057
  H     14.55440124      8.03663910     -8.61037166
  H     11.05327986     10.22974045    -15.85659186
  O     17.85920921     11.32050871    -15.87451580
  H     14.83124186      9.33340532     -9.40659371
  H     15.51857042      6.66364121    -14.64605595
  O     13.39896613     12.71239095     -9.53157489
  H     13.14841007     12.96505328    -11.33270507
  H     14.99265310      8.11666561    -14.67155436
  O     17.66188841      9.35161364    -13.99676800
  H     12.16206845     12.56896723    -12.49231056
  H     13.71586349     12.34030409    -17.55029466
  O     15.63975872     10.86289719     -9.49916410
  H     14.23918284      9.94782734    -14.42610911
  H     12.75552639     13.52966868    -17.37169889
  O     11.41133507      9.79979099    -15.06985165
  H     14.52936633     10.26799622    -15.90452660
  H     11.83785531      7.89456135    -12.57521354
  O     15.44168553      7.45481575    -14.11757482
  H     15.93730130     10.88242675    -12.27558099
  H     11.02554083      8.54291857    -13.72366709
  O     12.85825958     12.68659042    -17.83090293
  H     17.03892575     11.94699649    -12.48754802
  H     10.23810518     12.72592798    -15.95936719
  O     10.93840717      8.08283089    -12.87842051
  H     12.66887109      9.63136612     -9.37638702
  H     10.32279141     12.91696351    -14.43448182
  O     10.30393574     13.39937357    -15.27045227
  H     11.30454130     10.12525973     -9.94428209
  H     14.29686644      7.60906841    -12.56662841
  O     13.57381883      7.87756460    -11.98596103
  H     11.40934302     11.77558438    -17.52899301
  H     13.90506026      7.94886088    -11.08027389
          69
 Energy    -249.30209283753175     
  O     -0.72714689      3.44003657      2.71382869
  H     -0.17352245      2.66330622      2.86750669
  H     -0.71621925      8.29473331      1.60280017
  O     -2.96192519      5.63989160      0.62623461
  H     -1.51157002      3.16552998      2.22358023
  H      1.65411887      1.71840061     -0.05054654
  O      4.37768993      6.75926102      0.48447123
  H     -2.35002073      5.82269188     -0.09937054
  H      0.21155684      1.18460457     -0.13266906
  O      2.11312134      7.01867753      2.09711864
  H     -2.73817607      6.27011451      1.32221745
  H     -0.76171527      4.58363055     -2.26264193
  O     -0.86697703      5.97831586     -1.19326414
  H      3.84118323      6.75862836     -0.32893979
  H     -0.74696157      3.03986593     -2.08152383
  O      2.45924250      3.28924537     -0.54610997
  H      5.13974208      7.30454947      0.30902119
  H      0.29686716      8.57027688     -0.55595706
  O      0.69822947      4.95092244      0.82190506
  H      2.22104963      6.69650889      3.00110789
  H      0.26758527      9.26595093     -1.93930287
  O     -2.09020358      7.47128350      2.61920624
  H      2.96714590      6.97246350      1.64841503
  H     -2.82503076     -0.25906079     -3.37332343
  O     -1.35453826      1.77450963     -0.92096386
  H     -0.31164213      5.63200524     -0.47510506
  H     -2.76385178      1.26655984     -3.55185505
  O     -0.64828648      5.79898424      4.17390972
  H     -0.51904453      6.84926527     -1.41595624
  H      2.34606166      2.73549686      3.41217824
  O     -2.95898953      2.98230244      1.06207169
  H      2.46738739      3.58867093     -1.46100309
  H      3.47784739      3.63778719      2.84855962
  O      0.06552021      8.61581988      1.13853800
  H      1.85126044      3.87699608     -0.07035386
  H     -2.90321691      3.41369387     -4.94392439
  O      1.06272318      1.03812873      0.30046431
  H      0.21863717      4.44122117      1.48722170
  H     -1.71561764      3.15858470     -4.00224559
  O     -0.56816076      3.74906137     -2.71586328
  H      1.18018063      5.65194502      1.27959244
  H      1.15397820      0.49810336      3.40801233
  O      0.43296279      8.43046081     -1.51213273
  H     -2.66316746      7.98917383      3.17879323
  H      1.11118853      1.16357914      2.01105071
  O     -2.85792193      0.56260006     -2.88941629
  H     -1.56866480      6.89878196      3.21062722
  H      2.38662317      4.08431894     -3.97535482
  O      2.89273815      3.50239527      3.60942105
  H     -1.90115050      1.25662030     -1.52990573
  H      1.13998040      4.13217183     -3.06283147
  O     -2.36915672      2.71765828     -4.56836401
  H     -1.93941614      2.16496821     -0.25960737
  H      2.42836285      4.97758547      4.31091403
  O      1.08731898      1.34144405      2.96922865
  H      0.27647201      5.87876188      4.43377092
  H      2.65174925      6.01113179      5.44196746
  O      2.07446793      4.39099581     -3.12765069
  H     -0.73168724      4.92599720      3.76422514
  H      4.51652671      4.93534678      1.09423457
  O      2.16883240      5.86114570      4.63453973
  H     -3.83868155      2.68131888      1.27340437
  H      3.83853103      3.64035567      0.63996331
  O      4.39019265      4.01244267      1.34191148
  H     -3.02069468      3.94113363      0.89640900
  H      2.53191283      6.02662840     -2.23030207
  O      2.77286416      6.79658965     -1.70260159
  H      0.81810932      8.15504119      1.53712171
  H      2.00144189      7.37615910     -1.68633376
          69
 Energy    -249.30206756156122     
  O     13.31225034      8.22364660    -16.72420801
  H     13.05851740      8.28145247    -17.64157023
  H     17.23648669      5.03428954    -13.44762416
  O     10.96898045      8.77421598    -11.18995231
  H     12.54252958      7.87054577    -16.24115779
  H     14.94850728      7.55119603    -13.73712559
  O     15.54596996      6.97924784    -10.50446997
  H     10.87716981      7.84834476    -10.93804019
  H     14.62576884      8.82126403    -12.92503138
  O     12.81056771      9.76638940     -9.25480572
  H     11.58092384      9.16606843    -10.55444395
  H     11.56521553      6.82164794    -14.51742190
  O     12.99296115     10.53621913    -14.98495202
  H     15.75257277      6.04052953    -10.59558537
  H     10.88164102      8.17178289    -14.77278681
  O     10.58187755      9.70346055    -13.71000979
  H     15.22505968      7.29159839    -11.36309357
  H     17.89361459      8.77599039     -9.24370300
  O     15.91180494      4.25053566    -10.76791438
  H     12.57395858     10.46423326     -8.64930771
  H     16.76255333      8.17257564    -10.11030812
  O     12.22839931      3.29544570    -10.78731754
  H     13.62269821     10.05651249     -9.70737105
  H     17.95708529      9.82689709    -15.24333332
  O     15.12257984     10.56919119    -13.29206277
  H     12.16333676     10.32435550    -14.53751429
  H     17.65700960      8.91614533    -14.02547379
  O     14.04347410      4.19725688     -8.71843014
  H     13.12955374      9.83847311    -15.63566953
  H     14.12857285      6.99029018     -9.42398390
  O     11.30041389      6.00262403    -10.49439923
  H     10.72853190      9.37872099    -12.80420745
  H     13.09288012      7.94111101     -8.81224915
  O     17.72667669      5.33233093    -12.67315026
  H      9.77656658     10.21395404    -13.68642557
  H     15.92485031     10.12034582    -10.30516730
  O     14.54953227      7.85917911    -12.91370174
  H     15.28859249      4.08784037    -11.48947668
  H     15.09450868     10.70524589    -11.46541892
  O     11.23617781      7.39461091    -15.22390321
  H     15.41084902      4.12578456     -9.94852656
  H     18.11241140      7.11605227    -12.63911502
  O     17.39528834      8.91028291    -10.04607319
  H     12.84352946      3.38524462    -11.53220327
  H     18.05595247      8.41168199    -11.78412279
  O     17.25443970      9.36679149    -14.79289265
  H     11.81263530      2.44135617    -10.88179405
  H     13.09287366      6.84872882    -12.96174210
  O     13.32559100      7.00734103     -8.88058894
  H     14.37510449     10.69117369    -13.89854973
  H     11.94489612      6.14544079    -12.19066842
  O     15.08235963     10.54066437    -10.51243327
  H     15.88341960     10.30280738    -13.82151711
  H     14.81811883      7.56249727    -15.95276083
  O     18.22613097      8.07730622    -12.67121369
  H     13.35772581      3.81903870     -9.28287837
  H     16.20732574      7.95709014    -15.35356270
  O     12.41763008      6.15696548    -13.03265998
  H     13.76403513      5.10289270     -8.53724621
  H     15.82572857      5.49645034    -15.12496342
  O     15.57778156      7.22968382    -15.45414800
  H     11.98264114      6.33271114     -9.88899172
  H     16.28170016      4.10095590    -15.60515588
  O     15.95839646      4.57578292    -14.84292773
  H     11.40906051      5.04489749    -10.52107774
  H     13.43634336      4.70697765    -12.97395604
  O     14.01958243      3.93995800    -12.85823959
  H     17.31346128      4.88090062    -11.92673875
  H     14.66030078      3.99250983    -13.57732463
          69
 Energy    -249.30162788382233     
  O     12.74961850     11.92321976    -14.17913436
  H     12.40995849     11.55635914    -13.35369995
  H     14.39904710      6.86547862    -17.10338681
  O     15.28000039      6.48773273    -14.12458762
  H     13.58022494     12.37132540    -13.98097157
  H     18.16500525      6.63034226    -15.10637403
  O     17.64795037      9.12621465    -11.05918859
  H     14.87837934      6.60583707    -13.25203173
  H     18.59687893      7.30401637    -13.79835831
  O     17.97861682      9.81658019    -15.40336661
  H     16.23482022      6.40064222    -14.01941772
  H     17.22498050     11.46768756    -15.94001172
  O     11.60129327      7.80313556    -15.86235370
  H     17.18942659      8.95097524    -10.22456072
  H     16.04028488     11.73132237    -16.87670506
  O     15.92302156      8.49196132     -9.01327481
  H     17.08657846      9.74893460    -11.54400372
  H     14.63348812      9.48747096    -15.18217893
  O     13.94882849      7.05357587    -11.75004335
  H     17.05862568      9.60433453    -15.17268485
  H     15.30832753      8.23977666    -14.53467823
  O     15.88327494     10.72453693    -12.46382241
  H     18.51081005      9.65928113    -14.61403900
  H     11.56162845      9.68877422    -12.35031079
  O     15.64062620      7.82639353    -18.02484520
  H     10.84364526      7.47495932    -16.33822310
  H     10.76394251     10.76388534    -11.57225907
  O     15.43572431      5.72783459     -9.77280629
  H     12.35987694      7.24470867    -16.11754169
  H     17.59475102      7.23102691    -11.26133938
  O     18.26219019      7.49034658    -16.84712217
  H     15.72091070      7.55100746     -9.07440319
  H     17.81569713      6.09652408    -12.27489286
  O     13.79635404      6.42436163    -16.48741830
  H     15.17012563      8.94820873     -9.41453550
  H     12.34525245      7.56981481    -12.66955890
  O     18.12181077      6.53750335    -14.14669395
  H     13.98956099      7.95931526    -11.41194110
  H     11.61518526      7.94418983    -13.99067768
  O     16.55551286     12.12735070    -16.16278242
  H     14.31265791      6.49301269    -11.05364155
  H     20.30355575      8.96329717    -12.85809895
  O     15.39236532      9.19289288    -14.66501323
  H     15.79424069     11.62404655    -12.79846592
  H     18.85585020      9.02234213    -12.32294287
  O     11.62677496     10.56473349    -11.92573933
  H     15.66329861     10.14299952    -13.20846126
  H     14.27482889     10.49167439    -17.43488376
  O     17.56353533      6.27000196    -11.36195702
  H     16.52696613      7.66752996    -17.68069009
  H     14.59780906     10.98874221    -18.86297231
  O     11.63721366      8.11060728    -13.04072967
  H     15.53405560      8.78291224    -18.07809742
  H     14.65135229     10.12508055    -11.28512757
  O     19.39026252      8.89933534    -13.12617481
  H     16.23185844      5.80474765    -10.32976162
  H     13.14209327     10.03358386    -10.97829649
  O     15.00092365     10.66775980    -18.05974820
  H     15.50391450      4.89975679     -9.30597787
  H     15.78833443     12.78244701    -14.72676045
  O     14.00185570      9.67755479    -10.72384974
  H     18.23928756      8.37174227    -16.43730966
  H     15.56189639     14.00608224    -13.80951278
  O     15.38005518     13.07375719    -13.89178968
  H     19.00208205      7.48483424    -17.45024933
  H     12.55152211      9.37199838    -16.07857607
  O     13.17631435     10.10433613    -16.13760987
  H     14.30305213      6.27149991    -15.67894548
  H     12.93215737     10.77699187    -15.48252125
          69
 Energy    -249.30147190192088     
  O     12.18277113     12.10330977    -12.37177919
  H     11.29838197     12.42946246    -12.22063923
  H     20.12555631      6.10497644    -15.18972521
  O     20.09628943      7.81799889    -10.64202056
  H     12.10199618     11.15105083    -12.54390616
  H     18.74019895     13.69808151    -16.13789184
  O     17.75563125     11.46737799    -11.73059094
  H     20.42946676      8.24064026    -11.45404638
  H     17.79245989     12.47982390    -16.03211890
  O     11.95677069      9.37738359    -12.95177299
  H     20.85158342      7.66927911    -10.07958749
  H     13.58647486      9.55089552    -15.94033055
  O     16.14420303      7.04561337    -11.73893746
  H     17.53728089     12.33959829    -11.38295419
  H     12.91359863      9.04570772    -14.63715757
  O     13.51331870      8.02715188    -11.19927496
  H     16.96142120     11.16793722    -12.20288266
  H     15.54066684      9.73159026    -13.33401282
  O     18.69662403      5.99768816    -12.36439279
  H     11.13527769      8.89611086    -13.02250928
  H     14.99197169     11.19007604    -13.44549003
  O     14.05484262     12.48876561    -14.42866985
  H     12.51972550      8.86279700    -12.34514283
  H     13.61530167     11.62615337    -17.45447784
  O     18.13600867      9.02217850    -15.45634268
  H     16.03879408      7.38273033    -12.64352996
  H     14.04587161     11.69522618    -15.96794912
  O     17.59314764      9.06824253    -10.29244028
  H     16.59687466      7.73508164    -11.23418351
  H     20.63623283      8.18222605    -13.67805697
  O     16.95876626     11.18457511    -16.82457848
  H     13.85592260      8.71892044    -10.61740808
  H     20.50041805      9.68194987    -13.34534650
  O     19.72784505      6.83892829    -14.72953851
  H     14.28312432      7.47918869    -11.39549933
  H     16.94497073     13.80728162    -14.34572970
  O     18.29555502     13.13282471    -15.51137824
  H     17.76833216      6.16794712    -12.15864883
  H     16.40464099     14.10769353    -12.91863545
  O     13.44242653      8.76753045    -15.39391601
  H     19.20149512      6.47402935    -11.69383991
  H     15.74561682     13.58809256    -10.79241204
  O     15.43802542     10.56815080    -12.86113393
  H     14.74274213     13.14536970    -14.23134132
  H     16.80483592     14.65229576    -10.42200724
  O     14.09523252     11.15571158    -16.77745496
  H     13.36930194     12.53203658    -13.75245329
  H     13.51194654     12.65203444    -11.04323284
  O     20.88433059      8.85333262    -13.03018761
  H     18.54291182      9.70568212    -14.90423875
  H     14.46613791     11.91202442    -10.09720998
  O     16.16027919     14.07453800    -13.85113625
  H     18.67940027      8.23071433    -15.35113981
  H     19.15187588     11.80860020    -14.47839667
  O     16.62052535     13.94324471    -11.03200032
  H     18.44833322      8.62121066    -10.27611081
  H     18.87040878     11.19565292    -13.09284337
  O     14.23078761     12.79480516    -10.41838861
  H     17.74681891      9.91411416    -10.73731891
  H     15.83475414      9.75434510     -9.88378870
  O     19.34842257     11.04559459    -13.92205718
  H     16.00063671     11.09325217    -16.87296390
  H     15.04480537     10.28817353    -11.08831415
  O     14.98618129     10.14325669    -10.12889994
  H     17.31071925     10.33969168    -16.51418137
  H     15.01485375      8.25715200    -14.73284586
  O     15.82023963      8.18367560    -14.20047350
  H     19.31770724      6.47559228    -13.92383115
  H     16.58632558      8.43264961    -14.73347917
          69
 Energy    -249.30134552646700     
  O     19.10451506     10.41131073     -7.90763484
  H     19.29987400     11.07715833     -7.25314672
  H     17.65780289     10.21483748     -9.00124929
  O     17.55894635      5.32118972     -9.73280178
  H     19.80824328     10.46554659     -8.57864704
  H     21.06571109     10.32114099    -10.75325593
  O     18.27423712      5.81488113    -13.26110333
  H     16.97292761      5.11758834    -10.47130326
  H     21.34081613      9.47774437     -9.50570193
  O     18.73633677      8.47403792    -13.09414405
  H     18.00715459      6.15118843     -9.95745326
  H     16.67634910     10.05491694    -11.41010144
  O     22.05042209      7.12170712    -11.84299949
  H     19.02819256      5.35943328    -12.86545002
  H     16.11490793     10.78538828    -12.65467122
  O     15.85925139      5.07547451    -11.91007055
  H     17.47450080      5.41980634    -12.89410574
  H     21.22919782      4.17147154    -12.65623808
  O     20.77609499      5.82341112     -7.24009708
  H     17.90829851      8.95700101    -12.98654249
  H     21.20999993      5.60784833    -12.09052489
  O     13.92446792      5.04763673     -7.98275051
  H     18.53458633      7.54667992    -13.29930967
  H     12.73856960      5.53611184    -10.94201517
  O     21.30103331      7.68134388     -9.23211545
  H     21.97208893      7.24905662    -10.88646496
  H     13.19249589      6.93432414    -11.39009097
  O     18.73607572      7.74814843    -10.35371151
  H     21.86375847      7.98610221    -12.22468100
  H     14.07244016      8.16792639     -8.60477650
  O     18.64132744      7.71688583     -6.73643342
  H     15.14559908      4.54980650    -11.52748669
  H     15.49348627      7.62381772     -8.29848263
  O     17.03223822      9.92914039     -9.67952690
  H     15.56127851      5.99686550    -11.86709076
  H     15.35699064      8.42594296    -11.97132453
  O     21.06446062     10.36243064     -9.79067282
  H     20.55361494      5.21136250     -7.96527435
  H     14.98851579      7.84266240    -10.58767332
  O     16.44191673      9.94326934    -12.34847599
  H     21.21027588      5.30560103     -6.56795084
  H     20.26028049      9.32502001    -12.86943390
  O     20.70506453      4.77677984    -12.13686102
  H     13.32668307      5.80468045     -7.98708404
  H     21.39842879     10.22619723    -13.39803597
  O     12.44126899      6.45163825    -11.01969966
  H     14.76777661      5.38067773     -7.64809583
  H     17.11196381      6.81099755     -7.06315180
  O     15.00893449      8.30275610     -8.79215130
  H     21.29797736      7.07522973     -8.48332484
  H     16.78160586      5.85744721     -8.23269916
  O     14.93487226      7.67561330    -11.53984288
  H     20.39939730      7.67417335     -9.59175249
  H     11.49078197      7.70728976     -8.19820919
  O     21.10810044      9.73825463    -12.63132832
  H     18.82392962      7.88320721    -11.30539790
  H     12.26839984      7.10761330     -9.39567658
  O     16.38835921      6.31809808     -7.47536320
  H     18.17354826      8.46275823    -10.03254214
  H     20.40608335      4.38007952    -10.26892603
  O     12.35696852      7.42666393     -8.47956290
  H     19.39161650      7.12269290     -6.86353113
  H     19.13645192      4.47273797     -9.42288616
  O     20.08453965      4.28446836     -9.36518543
  H     18.89186708      8.56891641     -7.10758550
  H     13.83157372      4.26580397     -9.55578343
  O     13.71432156      3.93836727    -10.46558152
  H     16.29478731      9.47178478     -9.24845164
  H     13.36751732      3.05300820    -10.39434349
          69
 Energy    -249.30106374910525     
  O     12.25373649     10.92859336    -14.42908573
  H     12.42713858     10.15673158    -14.98563871
  H     16.09025851     10.86417102    -16.95599740
  O     16.21996716      6.93632912    -12.77476306
  H     12.82469128     11.63198813    -14.75895717
  H     15.52556455      8.41744121    -13.62939311
  O     18.01843672     10.91723648    -12.09445887
  H     15.71317619      6.72343939    -11.98285153
  H     14.54107172      8.99741620    -14.69890137
  O     17.27752842      9.78541404    -16.04374874
  H     17.05417699      7.32833941    -12.48169313
  H     11.26563683     10.21992088    -11.53908741
  O     12.87737816      6.07762701    -14.68740063
  H     17.28187555     11.29519565    -12.59654285
  H     12.15846169     10.37156056    -12.78997831
  O     15.66192357     11.75860933    -13.33163626
  H     17.76525233     11.00801057    -11.16740864
  H     17.59704314      8.03565917    -10.22125226
  O     16.48746724      7.49668792    -17.33873245
  H     18.09996791     10.03906281    -15.60523640
  H     16.83595130      9.09604407     -9.41269713
  O     14.83164507      6.61007259    -10.34276833
  H     16.63757657      9.57836186    -15.34658808
  H     12.59366078      8.20420555    -12.13759962
  O     18.51569125      6.10330981    -15.77435597
  H     12.86058507      6.47317406    -13.79598510
  H     13.44167380      7.06674641    -11.53113158
  O     15.69246345      5.80615265    -15.19948534
  H     12.16785127      5.44134121    -14.71636667
  H     19.82101903      9.40469753    -14.35015526
  O     20.14274238      7.51432956    -14.05924774
  H     15.48532756     10.83472303    -13.57462579
  H     19.16478378     10.62234672    -13.65606155
  O     15.28257613     11.23692838    -17.33815942
  H     15.22870750     12.29295898    -14.00583878
  H     18.35403477      9.11669350    -12.00262307
  O     15.32380406      9.19136625    -14.16820168
  H     16.85651971      8.29758880    -16.93281312
  H     19.16175318      7.89937367    -12.54073137
  O     12.12265466      9.99414347    -11.89261218
  H     16.17199437      6.93035694    -16.61898092
  H     15.88892609     11.07712129     -9.93367198
  O     16.91554179      8.14285257     -9.54476305
  H     15.52170131      7.19423570     -9.98042082
  H     16.81907026     11.59819372     -8.81155475
  O     12.84821981      7.28096934    -12.26069802
  H     14.78451328      5.85630440     -9.76024941
  H     15.07403048      8.22913113    -18.09871117
  O     19.49787382     10.30124266    -14.50311669
  H     17.70498561      5.69149212    -15.45300579
  H     14.06942063      8.47173672    -19.25020149
  O     18.50930989      8.16832316    -11.88237773
  H     18.22465869      6.57773777    -16.56043499
  H     14.82426311     11.58848767    -11.70883893
  O     16.76528486     10.96392287     -9.52112429
  H     15.94074230      6.15991572    -14.33071454
  H     13.65445961     10.80779400    -11.09127025
  O     14.26709255      8.71251386    -18.34920473
  H     14.73253942      5.73330349    -15.16211525
  H     14.00686580     13.69717900    -15.81416774
  O     14.45419907     11.29413839    -10.86426885
  H     21.01969359      7.14441775    -14.12495000
  H     14.53755589     12.29061778    -16.17527511
  O     14.14691189     12.82353281    -15.45944574
  H     19.58163733      7.00481808    -14.66781344
  H     13.40399127      8.63666830    -16.71288266
  O     13.09618121      8.64025854    -15.79777790
  H     14.85693762     10.50541599    -17.79707195
  H     12.93269380      7.72655541    -15.53128418
          69
 Energy    -249.30090608526359     
  O     -2.11329950      2.84315359     -3.31061885
  H     -1.22605632      2.59903397     -3.01852941
  H     -5.87198499     -0.01463447      3.50037379
  O     -5.20041605      3.29258903     -0.05649687
  H     -2.60565607      2.01642983     -3.39188494
  H     -1.44583680      1.93730499      2.95084962
  O     -3.50162963     -1.12537775      1.16596289
  H     -4.94116781      3.77957870      0.73732592
  H     -0.66974946      2.27340639      1.65573004
  O     -0.32122791     -0.78944397     -1.30943825
  H     -4.82598347      3.76369570     -0.81252958
  H     -0.48391710      2.64518420     -0.68196055
  O     -3.57913762      0.44650408     -2.91484396
  H     -4.02426198     -0.76467019      1.89254934
  H     -1.85756009      2.32646132     -0.06128077
  O     -4.43270481     -2.45123519     -1.06776785
  H     -2.56454127     -1.11592499      1.40974983
  H      2.18390540     -1.45560654      0.87085368
  O     -2.34619112     -2.10630124     -2.73647707
  H     -0.56908991     -0.75787153     -0.37470930
  H      2.07796745     -0.45909969      2.03739943
  O      0.30258666      1.84468719     -2.11839431
  H     -0.99350613     -1.29418439     -1.78228577
  H      1.18382999      1.61635075      2.48114690
  O     -0.80392769     -0.76729354      1.46661423
  H     -3.39699857      0.75648911     -2.01156226
  H      2.61460875      1.92055543      2.97204266
  O      2.39341503     -1.26559923     -1.03487670
  H     -3.11855730     -0.39570426     -3.01331117
  H     -5.29865401      0.00281292     -2.43267583
  O     -6.52874027      0.92914772      0.52401803
  H     -4.13609440     -2.09329111     -0.21728712
  H     -6.77668418     -0.32955512     -2.72720836
  O     -5.25067527      0.27797401      2.83860890
  H     -5.14720118     -1.87399597     -1.36081666
  H     -3.89354015      1.57743429      3.22339121
  O     -0.59319346      1.81803245      2.50891408
  H     -3.07982543     -2.32638251     -2.13353574
  H     -3.51339619      3.05537869      2.99490666
  O     -1.06548670      2.87340623      0.05292654
  H     -2.26866302     -2.82884398     -3.35333277
  H     -3.40425498      0.46582484      0.21620708
  O      1.86109858     -1.36389595      1.77594284
  H      1.17545238      1.90942783     -1.70252717
  H     -4.00301419      1.87123379     -0.13766974
  O      2.12421668      1.44705796      2.30437847
  H      0.00774861      0.94076443     -1.93875656
  H     -1.76625400      4.55023182      0.21346213
  O     -6.11821608     -0.33401296     -2.03620347
  H     -0.78920219      0.12103205      1.84819885
  H     -2.82758190      5.27497624     -0.61646135
  O     -3.17901249      2.21528308      3.33245588
  H      0.06514363     -1.15229225      1.64840376
  H     -3.17721055      4.01586187     -2.55706154
  O     -3.27430990      1.26168702     -0.31408101
  H      2.74700115     -1.82569288     -1.72094579
  H     -4.12548386      5.20075368     -2.83413277
  O     -2.36385953      5.31234592      0.22871708
  H      1.44447648     -1.16155161     -1.21741222
  H     -3.45046295      4.96858410      1.53897245
  O     -3.81684613      4.62132880     -2.14230924
  H     -6.45768058      0.43581584     -0.30131689
  H     -4.40731516      5.40522820      2.67520081
  O     -4.13168239      4.65180499      2.15995942
  H     -6.25877083      1.83347052      0.30955757
  H      2.45787912      1.62901104      0.38932465
  O      2.57098429      1.56373464     -0.56628558
  H     -5.76907908      0.49577093      2.04332456
  H      2.69147741      0.62236716     -0.74459232
          69
 Energy    -249.30044351702676     
  O     12.13418477     11.28782191    -14.67465052
  H     12.83041667     11.95305303    -14.62122145
  H     16.95007124      5.48810359    -15.70620251
  O     15.65122475      6.80503314    -13.05213012
  H     11.90568628     11.03462273    -13.77144253
  H     15.21451867     11.14092515    -17.32953475
  O     17.58242254     10.34574545    -11.33990338
  H     16.61409579      6.82671587    -12.97678169
  H     16.41336800     11.17856948    -16.37378334
  O     17.36651539      9.73976350    -15.60052943
  H     15.26077312      6.99904984    -12.19012833
  H     14.27935172      9.12305865    -14.83966705
  O     12.29950419      6.54140430    -15.24538386
  H     16.91394111     10.79607755    -11.87564292
  H     15.18719322      8.33986119    -13.82756128
  O     16.13172651     10.13562742     -8.99889474
  H     17.22974340     10.36023229    -10.43775789
  H     11.57591481      9.26629187    -12.31456296
  O     14.27113762      7.58254375    -10.79813024
  H     18.07836088      9.76428466    -14.95253456
  H     10.52470472     10.27488206    -11.79449642
  O     15.43227017     11.40665310    -12.74031729
  H     16.55158656      9.55582028    -15.10509136
  H     18.31216474      7.14216932    -11.40573578
  O     16.26995374      7.82949623    -17.31794068
  H     12.42263054      7.44747137    -15.58025853
  H     17.89082347      8.51244294    -10.85178268
  O     16.12117065      7.24604968     -8.72126824
  H     11.49206924      6.21252355    -15.63313829
  H     12.75331747      7.38281122    -11.95955930
  O     15.05440101      5.90582885    -15.56230556
  H     16.11074036      9.21367629     -8.71649805
  H     12.17064790      7.13135779    -13.38052139
  O     17.88499675      5.72718841    -15.77095332
  H     15.26729790     10.30606519     -9.39625296
  H     20.09051116      9.92608544    -13.33280991
  O     15.68113176     11.71271259    -16.70927233
  H     14.78744105      7.35132527    -10.01608113
  H     18.69574838      9.92773761    -12.67031109
  O     15.03886355      9.19567347    -14.25060940
  H     14.15447690      8.54307026    -10.77128719
  H     18.77200845      7.74973927    -13.43452766
  O     11.41727340     10.20900541    -12.12464656
  H     15.14651899     12.13958193    -13.29640247
  H     18.37879306      6.41297054    -14.12956999
  O     18.03237504      7.59092098    -10.59918483
  H     15.25010752     10.60303427    -13.25476656
  H     15.11937472      8.95216829    -18.04357988
  O     12.02379808      7.60195205    -12.55329572
  H     15.83215636      7.19974424    -16.72845302
  H     14.35577289      9.58726380    -19.23073490
  O     19.19612423      9.61141845    -13.44137102
  H     16.77310891      8.44102225    -16.76026762
  H     12.95546961     10.39886062    -11.05710858
  O     18.44125382      6.85747685    -13.27240320
  H     16.86329719      7.27362031     -9.35319498
  H     14.40351355     10.82086760    -11.36360395
  O     14.46306241      9.63005094    -18.28429291
  H     16.38424630      6.66830557     -8.01057864
  H     14.37348906     14.00316561    -14.94601784
  O     13.85443288     10.36671824    -10.70818912
  H     15.26744527      6.12438619    -14.64124627
  H     14.85159464     12.63028297    -15.47441095
  O     14.39141039     13.07283606    -14.73847241
  H     14.09260979      5.94531131    -15.60018492
  H     13.30320982      9.30836125    -16.87079681
  O     12.86185093      9.07434428    -16.04570365
  H     17.91734550      6.30954753    -16.53330996
  H     12.51290337      9.88380356    -15.63921435
          69
 Energy    -249.30026459144861     
  O      6.36425013     -4.00300590     -0.73759004
  H      5.45957243     -3.93087953     -1.06678480
  H      3.30347177     -2.53335259      3.53082321
  O      3.45158134     -5.04345407      2.30785008
  H      6.30168328     -4.46417188      0.10913714
  H      4.75552722     -0.70411881      0.08566694
  O      3.65139339     -3.46134199     -1.30241469
  H      2.83891468     -5.03057584      1.56361609
  H      4.26448466     -1.55345817      1.28325444
  O      7.87978587     -1.81585797     -0.23639651
  H      3.07018388     -4.45492618      2.97158380
  H      6.45255578     -5.93415248      2.19168259
  O      5.13872557      2.21064906      1.60537502
  H      2.91229769     -3.94254054     -0.91484568
  H      5.18068090     -5.07230155      2.04756871
  O      3.54941319     -1.38067997     -3.20513545
  H      3.84167343     -2.73132131     -0.69043435
  H      1.21702111     -2.65970342      2.48615894
  O      2.84614476      2.10355201     -2.12098927
  H      7.34380300     -2.59007804     -0.48771894
  H      0.84819150     -1.88840100      1.16725712
  O      4.71412892     -1.68019028      2.98910910
  H      8.75319145     -1.96048240     -0.59079200
  H      2.94002879      1.02033279      2.98305713
  O      1.46480821     -0.64207532      0.05349634
  H      4.83696827      1.73664263      2.38860212
  H      3.15227941      0.41688906      4.37856392
  O      1.15216707      0.06931364     -2.62315705
  H      5.58477179      1.57352091      1.03073552
  H     -0.09853490     -0.98939671      2.90373566
  O      1.56580312      1.46232802      1.81546160
  H      3.57296020     -2.18757738     -2.67471796
  H      0.37228655      0.48270125      2.90844236
  O      2.45058647     -2.88267130      3.83915349
  H      2.66451978     -1.01012810     -3.09973128
  H      0.84805921     -5.28555143     -0.02577645
  O      4.07221665     -1.32605760      0.36359680
  H      2.92602024      2.58031386     -1.28583118
  H      1.08506791     -3.96167615      0.73052912
  O      6.13812460     -5.09122811      1.87476882
  H      3.72529132      1.77893110     -2.35011935
  H      1.09023050     -0.41180924      4.79588112
  O      0.55720280     -2.58142853      1.78066362
  H      5.66442145     -1.85363454      2.94327868
  H      1.48030391     -0.40600961      6.29261676
  O      3.62785563      0.78115663      3.62193043
  H      4.54138639     -0.76639831      3.25191457
  H      4.68817182     -0.07950514     -3.03377738
  O     -0.02931511     -0.20463684      3.45819320
  H      1.25627298     -0.45911712     -0.86973397
  H      5.68643754      0.88944303     -3.71099410
  O      1.52396706     -4.65445636      0.20991758
  H      2.41036038     -0.85303967      0.10711646
  H      5.93983437      0.55341257     -1.20641540
  O      1.82232667     -0.57235345      5.41833408
  H      0.42290094      0.33302582     -3.17705275
  H      6.83236270     -0.31693391     -0.26683014
  O      5.23800989      0.71217577     -2.88831599
  H      1.69862860      0.86372527     -2.47361543
  H      7.56937703     -2.22111164      1.64179259
  O      6.15749136      0.37571427     -0.28102272
  H      1.50011503      0.75989418      1.15070694
  H      6.94893032     -3.43779626      2.35341141
  O      7.24826787     -2.52920383      2.49709238
  H      1.92947437      2.22971667      1.35931461
  H      3.84714381      3.04023017      0.81234658
  O      3.05177627      3.41384056      0.39055331
  H      2.17747127     -2.27783798      4.53697258
  H      3.09201643      4.35835342      0.51538542
          69
 Energy    -249.29988138849342     
  O     11.18676015     10.24989225     -9.48060488
  H     11.15129164     10.93326652    -10.17354035
  H     16.56511339      8.92918101    -11.56302881
  O     13.56487308      9.07255499    -17.53474780
  H     10.29215439     10.11624593     -9.17919302
  H     14.55576157      7.94573291    -11.83614448
  O     14.41764521      8.59139188    -14.89879374
  H     13.33250821     10.01787471    -17.50775261
  H     15.17511721      7.89924069    -13.24535628
  O     13.77989393     14.01125810     -8.64951211
  H     13.88921428      8.89456372    -18.41343110
  H     12.87472404     14.48104663    -10.25645087
  O     12.70846211     11.65814822    -17.35878101
  H     14.26859658      8.64752118    -15.85061318
  H     13.10398108     14.74933642    -11.77084880
  O     11.93591353      8.99329267    -13.71997054
  H     13.54285774      8.67578904    -14.48927360
  H     12.36412581      9.10473103    -10.48305603
  O     14.06796772     11.43799399    -11.63822956
  H     14.07682222     14.62961748     -7.98608752
  H     13.53958165      9.71051389    -11.25988994
  O     13.48098192     11.15936772     -8.05642208
  H     14.57751452     13.65145058     -9.07518203
  H     17.58599869     10.76179937    -12.38350006
  O     16.69165626     13.87507373    -12.31009673
  H     13.01912462     12.24955478    -16.66159741
  H     18.65423814     11.12497748    -13.44248740
  O     11.30121289     12.12100338    -11.46399721
  H     11.75477952     11.57825042    -17.23226210
  H     10.62837369     11.54311279    -14.95557693
  O     13.45903754     13.02001600    -14.97824094
  H     12.20023557      8.87097546    -12.79925622
  H     11.94474701     12.18609606    -14.44283673
  O     17.10036260      9.63945960    -11.17757258
  H     11.68499595      9.92138702    -13.82499679
  H     15.19138120     12.28407026    -10.56729293
  O     15.38274789      7.78808067    -12.30983199
  H     14.41917380     11.36100102    -12.53529895
  H     16.14209213     12.01591115     -9.39095399
  O     12.42891163     14.55251316    -11.10994938
  H     13.15866060     11.75879454    -11.67659788
  H     15.03407029     10.21646687    -14.44272370
  O     13.03466305      8.89122299    -11.14132617
  H     12.68054148     10.80856310     -8.46530433
  H     16.15127095     11.18100959    -13.91430502
  O     17.78751531     11.36262879    -13.12544591
  H     13.43781769     12.11618824     -8.16656212
  H     10.24723105     10.11160010    -16.58283444
  O     11.17114143     11.67180233    -14.16855946
  H     17.16086877     13.12283800    -12.68932846
  H      9.14191766     11.07969397    -17.07330601
  O     15.79968587     12.72425911     -9.94816479
  H     16.50206622     13.60867968    -11.39950976
  H     16.39840733      9.89848077     -7.76634478
  O     15.22077565     11.12322780    -14.16449166
  H     11.56091394     13.04627110    -11.33160556
  H     15.12166335     10.52453800     -8.36657507
  O      9.98887094     11.04956301    -16.63765040
  H     11.08518962     12.00065785    -12.39830243
  H     15.22252934     14.61872024    -12.90674564
  O     16.05604848     10.32217965     -8.54906965
  H     13.68521484     13.79383280    -14.45011662
  H     14.57109362     15.91774504    -13.42857029
  O     14.37737280     15.01681741    -13.18030806
  H     14.13774627     12.35548797    -14.77777928
  H     11.21906722      8.49425172    -15.40917244
  O     10.99318648      8.54196180    -16.34813931
  H     16.75423215      9.79501402    -10.29333963
  H     11.83533205      8.55713863    -16.82007335
          69
 Energy    -249.29974884365348     
  O     13.39342708      8.47456334    -11.29056100
  H     13.35596790      9.33441721    -11.73024503
  H     15.61846662      4.84140101    -16.51535432
  O     13.67007509     11.23097729    -16.49581824
  H     13.84393987      8.59489558    -10.44150258
  H     18.24538982      4.32265114    -12.65014677
  O     16.32420100     11.01214709    -12.74852469
  H     13.35870532     11.89734317    -15.87141201
  H     18.52496566      2.97941746    -11.93402922
  O     13.79199489      4.68777654    -13.57702673
  H     13.36744372     10.37962266    -16.15055828
  H     20.15399482      8.10787991    -14.62873880
  O     16.01986733      5.96185215     -8.80214200
  H     15.37201982     10.83791415    -12.78848498
  H     18.70488061      8.64431855    -14.60328043
  O     15.94061916     13.25268949    -14.43093221
  H     16.61817497     10.82629894    -11.85020748
  H     14.17142205     13.28650011    -14.36391872
  O     15.65797632      7.27991096    -12.35560245
  H     14.26946609      4.53390069    -12.75180915
  H     12.77490761     13.94477178    -14.23839036
  O     13.58790703     10.64747838    -13.02866865
  H     14.46204939      4.69744891    -14.26882313
  H     12.62972574      8.20632317    -14.60852178
  O     18.20121764      8.03534909    -11.67600619
  H     16.95096328      5.94707706     -9.08627015
  H     14.01680642      8.45411113    -15.22846508
  O     17.30426165     10.16073605    -10.22858239
  H     15.98953755      5.57274713     -7.93145213
  H     16.50023214     11.95088042    -17.69238346
  O     18.26423039      5.21170632    -14.12857977
  H     16.18232264     12.85092888    -15.27429252
  H     15.37147428     11.46205904    -16.75457647
  O     15.86095948      5.07873636    -15.62356755
  H     16.19113502     12.60684193    -13.75604603
  H     12.63924059      6.14686745    -13.47231716
  O     18.15467582      3.84811588    -11.80394683
  H     14.87579167      7.72048495    -11.99603433
  H     12.42376208      7.37821042    -12.56244554
  O     19.28334714      7.93391981    -14.27893532
  H     15.59834895      6.35062854    -12.09904117
  H     16.37112958      4.29792144    -11.46054581
  O     13.21438894     13.10715072    -14.35483162
  H     13.41262835     10.02692959    -13.75214387
  H     15.51678280      5.05106305    -10.40895592
  O     13.14319178      8.85264959    -15.11781609
  H     13.32001871     11.51799374    -13.34552002
  H     18.54263956      6.67263247    -10.45226898
  O     16.32727742     11.64679052    -16.80561555
  H     18.70950629      8.01562427    -12.49398918
  H     18.52777112      5.13546408    -10.46604455
  O     12.15865560      6.98384015    -13.40261248
  H     17.29547811      7.76942240    -11.90642215
  H     15.63517846      7.54421388    -14.10363086
  O     15.50396722      4.69580757    -11.30686392
  H     17.73579368      9.42095318    -10.69010400
  H     16.30445044      8.46055122    -15.16111897
  O     18.51968584      5.89857846     -9.87366676
  H     17.96461288     10.56216086     -9.66879830
  H     15.40323411      7.76416681     -8.98631931
  O     15.68519269      7.72948668    -15.05584065
  H     17.48392646      5.10904896    -14.68876378
  H     15.82282551      9.19272024     -9.41255345
  O     15.07057992      8.65893315     -9.13225649
  H     18.58537705      6.11086119    -14.25471307
  H     17.12921378     10.24393965    -14.16173291
  O     17.47258463      9.87153754    -14.98865014
  H     15.75387891      6.04321555    -15.55091931
  H     17.18738493     10.46116729    -15.69828444
          69
 Energy    -249.29972076830393     
  O      9.34400108     -9.35603128      3.38270378
  H      9.23629945    -10.20332930      3.82954799
  H      6.33460602     -7.83732228     -0.35373699
  O      6.10990946    -10.74075497      4.99399991
  H      8.48094169     -8.92231790      3.43488335
  H      7.66938014    -11.51131010      4.82357448
  O      7.56655105    -10.04978659     -2.71780000
  H      5.27011028    -11.03281268      4.62293967
  H      8.89272362    -12.24392615      5.42453886
  O     10.36766725     -9.06546229      0.90218057
  H      6.26659799     -9.86805888      4.60597561
  H      3.74412166     -8.21597444      2.36797186
  O      6.50249858    -10.52510996      1.43171066
  H      8.19175159    -10.78514937     -2.73533115
  H      3.10641741     -9.09543265      1.28608534
  O      5.65877450     -7.99408040     -3.26753389
  H      7.69647229     -9.61403683     -1.86233680
  H      2.86950147    -11.14582729      4.47439809
  O      4.92054203     -6.66901191      2.17425022
  H     11.18650988     -8.57911275      0.93713280
  H      3.45444606    -10.48900516      3.21282444
  O      3.39479296     -9.31452182     -0.56283403
  H     10.05606211     -9.15891051      1.82143898
  H      5.25037555    -14.10309194      1.50684921
  O      3.95135669    -13.85348627      2.74826216
  H      5.76137018    -10.87838604      0.92526029
  H      6.71188496    -13.65785025      1.24755006
  O      6.66057325     -8.55352660      3.35631547
  H      7.06170817    -11.27538977      1.67578925
  H     10.20091773    -10.91501190      0.41735557
  O      3.39796426     -9.49444640     -3.40634367
  H      5.64297842     -7.56648362     -2.40283681
  H      9.76447961    -11.97569308     -0.62841563
  O      5.47306158     -7.39984865     -0.42959444
  H      6.40420692     -8.60889324     -3.24860050
  H      7.39660810     -9.48420263      0.33400254
  O      8.56459107    -11.84086567      4.62539412
  H      4.68814124     -5.74922367      2.27149288
  H      8.74350074     -8.77114807      0.06530970
  O      3.24747570     -9.03168685      2.23934807
  H      5.12983775     -6.80640310      1.23524439
  H      8.81697772    -12.49495256      1.44271922
  O      3.53480749    -11.26100671      3.79877151
  H      3.19947450     -9.32634343     -1.50692309
  H      8.31663642    -12.55787496      2.92914858
  O      5.91209374    -13.98630092      0.81022180
  H      3.71548490    -10.20449602     -0.34688960
  H      6.18937549    -13.21714896     -2.29841961
  O      9.98731778    -11.84818709      0.30166802
  H      3.10965757    -14.29535173      2.83630057
  H      6.53049757    -13.97206383     -0.98844060
  O      7.83444417     -8.84375980     -0.24838416
  H      3.81480845    -12.95406808      3.08033006
  H      4.80712854    -11.72265545     -1.07609971
  O      8.07031471    -12.73594450      2.01383467
  H      6.53025844     -9.24744979      2.68874019
  H      4.91060712    -12.57118285      0.21552419
  O      6.86145673    -13.76288380     -1.87161677
  H      6.13678481     -7.79918889      3.06796613
  H      4.53025741    -11.02855005     -3.13928019
  O      4.56677668    -11.74056615     -0.13781158
  H      2.82954813     -9.26631390     -4.13668283
  H      6.04218584    -11.05045060     -2.80973305
  O      5.23875315    -11.59259673     -2.80847611
  H      4.17067218     -8.90245103     -3.45347015
  H      8.36512634    -12.93278074     -2.17436636
  O      9.13365457    -12.36924818     -2.37795503
  H      4.79065346     -8.08644068     -0.47320868
  H      9.68671531    -12.86805250     -2.97383799
          69
 Energy    -249.29942746911803     
  O     14.29491541      9.95397323     -9.46067955
  H     15.05930106      9.80421102    -10.03556904
  H     14.36428609      5.57862353    -10.67330188
  O     16.19477937     13.49770355    -12.94838427
  H     14.30215179     10.89282978     -9.23674461
  H     12.36738495      5.87877943     -9.92424593
  O     11.28405457     10.49195213    -15.42555874
  H     16.79578272     14.20445345    -13.16673461
  H     12.68014110      4.78584752     -8.87460307
  O     12.50886398     11.32067352    -13.03571817
  H     16.53700857     13.07391921    -12.14047775
  H     14.43601623     13.64030134    -12.14705322
  O     15.03673217     11.33716210    -14.28921986
  H     12.08766212     10.64532963    -15.95759761
  H     13.13007083     12.81927633    -12.12269616
  O     14.48316748     12.73056925     -9.17398474
  H     10.54756146     10.82398298    -15.93095129
  H     13.90661235      9.85334862    -16.89347336
  O     16.66024850      9.48911727    -10.94792197
  H     12.31206922     10.64835262    -12.36938556
  H     14.24587644     11.05910447    -15.98567869
  O     14.61039071      4.98939544    -13.99399127
  H     11.96662309     11.12331337    -13.80929864
  H     17.72153180      6.62278818     -9.20027137
  O     16.91721952     12.27136862    -10.64047851
  H     15.49842679     12.10992629    -13.93960444
  H     16.26682681      7.14476066     -9.07470386
  O     14.01553664      7.96527345    -12.82968810
  H     14.19022164     11.28928197    -13.82250667
  H     11.44034797      7.50263826    -11.15564130
  O     11.71668886      5.41779962    -13.76443919
  H     14.10894490     13.03638325    -10.02014383
  H     11.40366623      6.19588107    -12.00590591
  O     15.02490568      5.77438074    -11.35076694
  H     14.24559607     13.37831219     -8.51644856
  H     15.63858034      6.12807227    -14.89808721
  O     13.06296527      5.52282826     -9.34269097
  H     16.67215201      9.33918815    -11.90365262
  H     16.89919145      6.26128148    -15.77856982
  O     13.63255574     13.48606829    -11.63538347
  H     16.91597881      8.65773973    -10.53053301
  H     13.40608048      7.85135542    -16.30811595
  O     13.64782754     10.76351180    -16.68378181
  H     13.64728901      5.02600904    -13.99595197
  H     14.91008075      7.60787942    -16.47924998
  O     16.99531505      6.98157121     -9.70271250
  H     14.86303698      5.07808011    -13.06400695
  H     12.82892641      7.95921519    -14.18979128
  O     11.31176051      6.54587600    -11.11190166
  H     16.96151668     11.30797832    -10.70971812
  H     11.74275057      8.71735733    -15.01775370
  O     16.21167601      6.76875100    -15.35393934
  H     16.20756330     12.46142606    -10.01479121
  H     14.11853796      6.86729635     -8.49646600
  O     14.15405404      8.04379346    -16.88827224
  H     14.82835487      8.40461396    -13.10704579
  H     14.52055117      8.36683893     -8.50549532
  O     12.14440837      7.85328611    -14.86931162
  H     14.28417029      7.16828968    -12.35520839
  H     16.44937123      8.34494751    -14.33985206
  O     14.80148219      7.48832191     -8.21392079
  H     11.75435643      6.25708796    -14.25552890
  H     16.01518535      9.83724643    -14.04908862
  O     16.41917170      9.04095881    -13.67141267
  H     11.05197763      4.88185652    -14.19079182
  H     12.86830732      8.77630030    -11.80470766
  O     12.25338192      9.23060115    -11.20496823
  H     15.79521059      6.12541678    -10.88776648
  H     12.80624170      9.51945994    -10.46619535
          69
 Energy    -249.29879283640588     
  O     14.67393285      4.31385121    -16.47315657
  H     14.92578280      3.70046892    -17.15772105
  H     14.76085290      4.13874363    -14.61726227
  O     12.60755517      8.47694846    -12.65654198
  H     15.31627511      5.04632397    -16.49813303
  H     14.00396149      9.00564053     -9.85072902
  O     13.42692369      5.68232489     -8.85834493
  H     12.00276769      8.84153553    -13.32158894
  H     13.27672485      8.20798469    -10.96860444
  O     12.27200686      5.73610708    -15.89992514
  H     13.48115786      8.40782445    -13.08072094
  H     15.49730632      9.24610075    -13.58493667
  O     15.07304929     11.44266013    -15.71211329
  H     13.49693026      6.58324374     -9.20402826
  H     15.62139978      7.68640375    -13.68251490
  O     16.39638686      6.39704998    -16.32514243
  H     14.32878096      5.34017131     -8.83220846
  H     11.51601550      9.21968075    -15.52981829
  O     14.49736541     10.79774179     -9.65994852
  H     13.03758056      5.20822567    -16.15898397
  H     11.69268549     10.57057410    -14.79478542
  O     16.07487712      4.64963554     -9.30561092
  H     12.18660605      5.64279443    -14.94319791
  H     13.52913701     11.97841711    -15.12394326
  O     14.78783797      8.74493592    -16.54311027
  H     15.64983319     11.33954322    -14.94421750
  H     12.41542112     13.05164761    -15.05707213
  O     12.02104252      4.24146011    -10.66956646
  H     15.05829528     10.58645025    -16.15972139
  H     12.16580542      5.18010105    -12.25368543
  O     14.67990379      3.18820916    -11.11942791
  H     15.96101681      7.23714709    -16.52200852
  H     12.37654055      6.59968923    -12.85910035
  O     14.77979035      4.31125663    -13.66824812
  H     16.73094427      6.45586977    -15.42254781
  H     12.08680445      7.28587338    -16.62666126
  O     13.80607682      8.11498386    -10.16555857
  H     14.09040220     11.10630200    -10.48602759
  H     11.54891074      8.11957228    -17.81396248
  O     15.02496310      8.43485665    -13.81594588
  H     14.30873056     11.45712559     -8.99658657
  H     13.06948978     10.33494723    -12.27952064
  O     11.32691713      9.68253454    -14.70320433
  H     16.63990240      4.09289609     -8.77687775
  H     13.10484447     11.72183543    -12.94451392
  O     12.68934795     12.21558577    -14.69018017
  H     15.64382580      4.07179117     -9.96103294
  H     16.75143008      6.54383880    -12.47775538
  O     12.40586710      5.65701608    -13.05951291
  H     14.79816989      8.61871518    -15.58090589
  H     16.10295169      5.54593299    -13.46973838
  O     12.04878239      8.18369054    -17.00454241
  H     13.87863817      8.58235089    -16.82292501
  H     15.23488560     11.13883748    -12.77329516
  O     13.41199924     11.23105500    -12.17070976
  H     12.45536657      4.76236675     -9.97019794
  H     16.61274062     10.58239247    -12.34768354
  O     16.69293574      6.31230157    -13.41509921
  H     11.26930310      3.81299720    -10.26913931
  H     16.99970059      8.88025139    -10.69833002
  O     16.10172707     10.88262721    -13.11449058
  H     13.74477441      3.36279261    -10.96027249
  H     16.30592097     10.17342165    -10.22505562
  O     17.04276358      9.84358835    -10.75250471
  H     14.83180198      3.43330173    -12.04254498
  H     15.48572210      7.40546302    -10.60832643
  O     16.38008422      7.05765062    -10.72892504
  H     13.97513236      4.80884136    -13.46027674
  H     16.42058623      6.25059535    -10.20006374
          69
 Energy    -249.29874182773148     
  O     11.99296374      9.50994675    -10.78356054
  H     12.15187774      8.90210296    -11.51854079
  H     10.78966460     12.68668992    -10.17633531
  O     12.45639273      7.71712405    -12.84865412
  H     11.55293367     10.29608335    -11.12803284
  H     11.54093908      8.67557143     -9.27620363
  O      8.72392777     10.52408007    -13.06000648
  H     11.98065836      6.93884100    -12.53664861
  H     11.37425133      8.82331111     -7.74309947
  O     14.37409333     10.15682761     -9.63902627
  H     11.90987126      8.18932747    -13.49688908
  H     11.33092118     10.50093040     -5.75568936
  O     15.51035946      7.59811946     -9.89159784
  H      7.93568462     10.77712623    -13.53472850
  H     11.96188672     10.99547319     -7.07447646
  O     12.11198873     15.32621145    -10.55502866
  H      8.43444450     10.15435939    -12.21026929
  H     12.59400825      5.94611367    -10.20664147
  O      7.97857366      9.60223058    -10.53317758
  H     13.54679726      9.92811004    -10.09218824
  H     12.58578909      6.87542996     -8.98357007
  O     12.77922998     13.47328672    -12.62000917
  H     14.89547510      9.34690195     -9.61474191
  H     15.29957674     11.79674521    -12.23165786
  O     14.40193951     14.07405594     -9.30266894
  H     16.21886079      7.09500145     -9.49982481
  H     14.82602227     11.50688131    -10.79401563
  O      9.37539877      7.09733462    -10.07490766
  H     14.69426892      7.08347107     -9.75690941
  H     10.20357495      9.71650589    -14.05921512
  O     15.15253603      8.29815244    -12.65202297
  H     11.58720433     14.66634199    -10.07116566
  H     11.62478736     10.09866017    -14.55579277
  O     10.87937302     13.16846509     -9.33710839
  H     11.69042540     16.17002626    -10.41441972
  H     10.08715425     11.52676603    -12.30260933
  O     11.36631760      8.17973927     -8.45862155
  H      8.42130421     10.11412470     -9.83326734
  H     11.42983865     12.34630899    -12.18046119
  O     11.29436471     10.39483805     -6.70305263
  H      7.08496378      9.45687231    -10.22949681
  H      9.74107983     10.70072586     -7.85697978
  O     13.15801147      6.30010752     -9.51020463
  H     13.54945192     13.05454595    -12.20525373
  H      9.54925987     11.90081122     -8.77566161
  O     14.97107564     12.22249848    -11.42883712
  H     12.56605996     14.24209831    -12.07884412
  H     12.81559945     12.24861649    -14.11375952
  O     11.00991449      9.35707137    -14.44116424
  H     13.74919101     14.65809673     -9.70567148
  H     13.79925173     11.11077288    -14.38721107
  O     10.77380515     11.82535237    -11.69636461
  H     14.76989763     13.55517862    -10.03034198
  H     15.45310080      9.83464880    -13.35316456
  O      9.16015491     11.04888759     -8.54270633
  H      9.96582749      7.38708460     -9.36415369
  H     16.29744751     10.67690390    -14.33893155
  O     12.89861802     11.40462986    -14.57232582
  H      8.89171630      7.88679324    -10.33814998
  H     10.45582356      6.10743462    -11.04051677
  O     15.56737652     10.72727109    -13.72802182
  H     15.37380705      8.03071873    -11.75357751
  H     10.80323850      4.76698890    -11.72958524
  O     11.15890793      5.62349724    -11.50895371
  H     14.23478967      8.02386610    -12.79535033
  H     13.57684779     11.28332852     -8.48193569
  O     13.11506047     11.99861768     -8.01967951
  H     11.62455266     12.76772272     -8.86865621
  H     13.59308336     12.80357079     -8.26687123
          69
 Energy    -249.29800276091132     
  O     15.84812674     11.49550304    -10.74550323
  H     16.55069446     10.96275240    -10.35323654
  H     16.73622593      5.05600408    -13.56303613
  O     14.00427433      7.37370137    -14.70629828
  H     16.04347367     11.54445863    -11.69062240
  H     19.36001535      8.37269796    -12.28544204
  O     19.22023665      6.65559185    -12.78853396
  H     13.24264174      7.69732038    -14.20665103
  H     19.31459348      9.83255644    -12.81574567
  O     14.13247222     11.58730329    -15.23612989
  H     14.06873106      6.43090077    -14.51558181
  H     15.39784534      8.08924134    -13.82514673
  O     12.51845293      5.41678818    -10.53829203
  H     19.21989987      6.39471960    -13.71679028
  H     16.90402311      8.36326528    -14.02824858
  O     11.90488147      8.03717927    -13.01187519
  H     18.56220904      6.09962610    -12.35366300
  H     12.83427821     11.50684756     -9.84405019
  O     16.10405709      7.79124967    -10.78295839
  H     13.70773192     12.29413237    -15.71445385
  H     14.17277488     11.14589682    -10.53181851
  O     17.86071778      8.64497571    -15.69728288
  H     13.50397200     11.29823328    -14.54940222
  H     12.13491792      9.86467590    -13.27627150
  O     11.36265968      5.27830848    -13.19232531
  H     12.74725273      6.34971351    -10.42799572
  H     12.72433373     10.91898143    -12.32621605
  O     18.85409489      6.12454354    -15.58880064
  H     11.96380613      5.36520726    -11.32581337
  H     16.66857237      6.14249531    -11.30090847
  O     15.27247111      9.22356271    -16.46619211
  H     11.52577367      7.15483518    -13.10252519
  H     16.23690249      4.67839521    -11.46753531
  O     16.54502469      4.88362167    -14.49573824
  H     12.40690734      8.03905007    -12.18201112
  H     14.11474969      4.28411891    -12.98403614
  O     19.34184113      9.30333850    -12.01334588
  H     16.68684524      8.38590864    -10.29686571
  H     14.82918366      4.60434894    -14.29711633
  O     16.17975378      8.46876685    -13.40094895
  H     16.16875937      8.05147263    -11.71739473
  H     13.87263018      4.35783889    -10.85706411
  O     13.22716759     10.91643912    -10.48129374
  H     18.29668257      9.44800805    -15.38875775
  H     14.47046842      2.93136728    -10.81929212
  O     12.50015274     10.75871068    -13.25072946
  H     16.99678256      8.88787317    -16.06608738
  H     19.33169574     11.73824679    -14.57569659
  O     16.93341083      5.30265389    -11.70333386
  H     10.70813294      4.72256376    -13.60758268
  H     17.98410148     11.17548619    -14.06333766
  O     13.95191388      4.60607973    -13.88064826
  H     12.22609022      5.00395764    -13.54551547
  H     14.31221351      7.95000747    -10.63585909
  O     14.57494885      3.79015644    -11.22060087
  H     19.44405304      5.93456179    -16.31303842
  H     13.23888450      9.04939690    -10.45913409
  O     18.87102112     10.92736419    -14.37641149
  H     18.52863790      7.03225963    -15.72101213
  H     18.44606847      9.61039312    -10.58779489
  O     13.35667982      8.10671618    -10.63064250
  H     14.88168956     10.04682469    -16.15037167
  H     18.45323367      9.78365784     -9.04991293
  O     17.87594826      9.74145388     -9.80694051
  H     14.76541519      8.51944296    -16.04009456
  H     16.19822844     10.27517966    -13.40773693
  O     16.29262616     11.23559775    -13.50844862
  H     17.30241656      5.21916999    -14.98605250
  H     15.59579816     11.50878746    -14.11793979
          69
 Energy    -249.29784504381428     
  O     11.12911958      9.34532819    -13.78978959
  H     11.59481110      9.28040128    -14.63561289
  H     14.96644908     12.00976180    -14.61854473
  O     16.50450847      6.68483897    -14.51513930
  H     11.48035135     10.12891296    -13.35203989
  H     14.08697457      8.88071487    -14.77320434
  O     16.74589054      9.33399453    -10.81246016
  H     15.97270933      6.07931396    -13.98056302
  H     15.33849939      8.06744756    -14.29884829
  O     16.51835396     10.92961320    -14.76187961
  H     17.19024713      7.04650570    -13.93509081
  H     11.03129611      7.74538278    -13.15398927
  O     13.24449260      6.55291609    -17.15871107
  H     15.80747947      9.49148115    -10.97957682
  H     10.13638174      6.58838998    -12.64794443
  O     14.93023809      5.77655831     -9.20983739
  H     16.80936699      8.81026409    -10.00378362
  H     18.00960888      6.43502361     -9.93652941
  O     14.84001556      5.23460227    -12.84338222
  H     16.66619281     10.75979951    -15.69868211
  H     18.44182769      6.47407374    -11.41606694
  O     14.08304491      9.56126002    -11.60916783
  H     15.95510083     10.20054450    -14.45936621
  H     13.50234878      5.26638281    -14.14107612
  O     16.43166952     10.13067878    -17.52862594
  H     12.84078338      5.99433099    -17.81709112
  H     12.11250335      5.92807114    -14.13938798
  O     16.39747414      3.96305386    -10.90387717
  H     13.08227548      6.12972605    -16.29501084
  H     17.93336906     10.83413032    -13.49598846
  O     15.93484953      7.51750505    -17.09877457
  H     14.26621527      6.15598680     -9.80185933
  H     18.03620974     10.41868915    -12.02251765
  O     14.04753410     12.28898644    -14.72894088
  H     15.33251694      5.04461809     -9.69306017
  H     17.54859475      8.20267675    -12.01692328
  O     14.79882215      8.84839303    -14.12259314
  H     14.36017746      5.85845238    -12.27957005
  H     18.64050924      8.65748785    -12.95018658
  O     11.04010523      6.82245399    -12.84149153
  H     15.35717815      4.67400746    -12.25213243
  H     17.12178506      7.57264351     -7.75393455
  O     18.29997927      5.87766579    -10.66944150
  H     14.34463812      9.27513180    -12.50090278
  H     16.20223603      6.90280175     -8.80338366
  O     12.77139799      5.52480828    -14.71734347
  H     13.50205299     10.31714038    -11.74568866
  H     13.67484860     11.67883124    -18.24448348
  O     18.56868398     10.59416154    -12.80823360
  H     17.18437691     10.19682920    -18.11015597
  H     14.78613758     10.88356878    -17.52167973
  O     18.17784434      7.85813005    -12.67004606
  H     16.27074695      9.17937747    -17.38666793
  H     12.47523366      6.83757694    -11.65793786
  O     16.97141032      7.48977046     -8.69161590
  H     17.13634194      4.59644267    -10.85027863
  H     13.55584339      7.86356799    -11.23698905
  O     13.87712422     11.21459558    -17.43586806
  H     16.76424429      3.09744788    -10.74760767
  H     12.99944481     11.89487259    -13.37205649
  O     13.31911145      6.92638119    -11.19783101
  H     16.26182376      7.14835489    -16.26587374
  H     12.05579469     12.41733856    -12.26659919
  O     12.43569392     11.62058426    -12.62728606
  H     15.05506682      7.14280380    -17.22232577
  H     13.04695040      9.78485769    -16.59985086
  O     12.73977466      9.06047777    -16.04115319
  H     13.83810107     12.06734364    -15.64223100
  H     12.84176811      8.23553431    -16.53348821
          69
 Energy    -249.29771868733701     
  O     12.73097346     12.32486393    -13.51551591
  H     12.85299538     12.14117279    -12.57185758
  H     19.23325574     12.28220652    -17.22597968
  O     19.77008833      6.92015003    -11.20300424
  H     12.57123192     11.47389983    -13.93596126
  H     11.94268408      9.20857214    -14.95221215
  O     18.66411956     11.15261856    -12.35390092
  H     20.52406673      6.52726915    -10.77189423
  H     13.43124876      9.35328514    -14.56046356
  O     15.65435851      7.93171187    -11.31836141
  H     20.02896643      7.08973387    -12.12664831
  H     15.59430268     10.31389628    -13.33579667
  O     14.03756965      9.30119501     -9.47256880
  H     17.76041395     11.10342374    -12.71043678
  H     15.75411609     11.77842091    -13.82397677
  O     17.31535712      5.80095562    -12.18168393
  H     18.78448153     12.07585315    -12.10574569
  H     13.47615187     10.73531670    -16.35267056
  O     14.95048834     12.99661773    -14.93881107
  H     16.49463784      8.36107979    -11.09825947
  H     13.34972069     11.54177713    -17.66330833
  O     17.13341722      8.35161654    -15.37785496
  H     15.00290410      8.27496603    -10.69405264
  H     17.06353196     10.06018771     -9.35681796
  O     18.09821652      9.08887381    -10.59852682
  H     13.56526868      9.05640236     -8.68110784
  H     16.29819072     11.39303879     -9.49010864
  O     16.67557986     10.42312549    -17.22919756
  H     14.84649479      9.76336918     -9.18367784
  H     20.10900289      8.22090407    -14.18646550
  O     18.03094318      5.78045200    -14.79674627
  H     16.62728466      6.39549808    -11.85712368
  H     19.62763821      6.75635705    -14.28423450
  O     18.75396672     11.97748120    -16.45950728
  H     18.12811260      6.06567360    -11.73224639
  H     16.65381339     13.72637442    -14.74346010
  O     12.68950200      9.79942847    -15.00566182
  H     14.15537862     12.94218644    -14.38336529
  H     18.04741960     13.25139773    -15.19864934
  O     16.07088793     11.13511046    -13.17667314
  H     14.72593126     12.53823125    -15.75556572
  H     18.80486733     14.73124945    -11.78223705
  O     13.97589554     11.25427843    -17.00273770
  H     17.39806360      7.42566708    -15.30771477
  H     18.07058996     13.96246165    -12.90515816
  O     16.36117972     10.58894885     -8.95609591
  H     17.88836765      8.87970679    -15.08123183
  H     14.12750737     12.24684022    -10.70288521
  O     20.26202228      7.33180794    -13.83962808
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  H     15.91115605     12.07617685    -11.60093840
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  H     17.98194938      4.90064397    -15.15972065
  H     16.72916956     13.25003339    -11.05433026
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  H     15.63591462      8.52223435    -14.40915694
          69
 Energy    -249.29758364054106     
  O      2.16390831     -1.06138735      7.07219768
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  H      4.99894717      4.77001375      5.52062124
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  O      1.28387638     -1.97355957      1.17094743
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  H      2.89298544      3.40901567      5.00168511
  O     -2.67962366     -1.34817855      5.46449317
  H     -1.24263309      2.46395437      8.75267942
  H      5.70692661      1.11027201      3.86883662
  O      4.45190940     -1.35399702      5.57621727
  H      0.95700077     -2.51751693      1.90203056
  H      5.72179683      2.46291426      4.62679463
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  H      0.73681532     -1.18100537      1.14981002
  H     -0.88239773      2.62679529      6.22889019
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  H     -2.37433072     -0.71192191      4.80420421
  H      0.11021203      3.05572045      5.13502450
  O     -1.56258473     -0.52389766      7.86137438
  H     -2.16594045     -2.15251743      5.33423811
  H      3.71309682      2.11702291      7.75267742
  O     -1.01965350     -3.78300877      5.67023831
  H      4.42328826     -0.89446799      4.72468313
  H      5.17441833      1.63862814      7.53504218
  O      4.49548600     -0.05428502      3.07724861
  H      5.15475031     -0.93021005      6.08462528
  H      0.92093192     -1.65026969      4.18797856
  O      6.36174213      0.28911406      6.80923389
  H      3.85939829     -2.95334389      4.67463765
  H      1.30573682     -0.84751894      5.46733784
  O      4.66130714      3.88801062      5.38796915
  H      3.73693563     -3.24681793      3.16992398
  H      4.33521972     -2.69693870      0.71166679
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  H      3.01561608     -2.15460199      1.30942712
  O      6.22803246      1.65585659      4.47416470
  H      0.99201402     -2.19855930      7.66564321
  H     -1.29883499      1.40815095      4.27812797
  O     -0.81547215      2.82722897      5.28736469
  H     -0.99189673     -1.27885912      8.03192656
  H     -0.58515204      0.04625249      4.16912940
  O      4.62757389      2.42097318      7.67562173
  H     -2.06143130     -0.74912986      7.06198848
  H     -0.80481582      0.86704145      0.62999303
  O      0.95490994     -0.76502955      4.57433857
  H     -0.58172141     -3.47749034      6.48022120
  H     -0.74716505      0.52531308      2.13494453
  O      3.96097785     -2.30133178      1.49420933
  H     -1.57237796     -4.52070763      5.91967693
  H      1.67805693     -3.56766145      3.81028806
  O     -1.34202498      0.54977626      3.83095838
  H      3.67781812      0.44514131      2.94120907
  H      0.16365203     -3.63491390      4.24151165
  O     -0.24463836      0.48934772      1.30305591
  H      4.45316664     -0.80616250      2.47310447
  H      1.96152506      2.08124039      6.51758641
  O      0.77132126     -3.32889961      3.55811457
  H      7.25682878      0.16266737      7.11229437
  H      1.05050057      1.82529624      7.74278255
  O      1.93043538      1.65099846      7.38480497
  H      6.41474143      0.78670247      5.97182410
  H      1.36965909      1.09972734      2.18220461
  O      2.01103018      1.11790067      2.90032482
  H      4.68741873      3.44273715      6.25476953
  H      1.70845277      0.43625246      3.52376176
          69
 Energy    -249.29710742614196     
  O     14.11315763     10.70327109    -15.78745587
  H     14.84090464     10.91848169    -15.19351830
  H     18.47406080      7.27660333    -17.29025135
  O     14.33135137      4.94573895    -16.18216855
  H     14.47929434     10.78311177    -16.67631069
  H     15.68694908      7.63424324    -16.59722419
  O     17.67947874      6.86550245    -12.17041645
  H     15.04310078      4.57416142    -16.71981314
  H     15.44116433      6.41260114    -15.69652301
  O     17.62478812      6.43509219    -18.69509519
  H     13.77417427      5.50197300    -16.74227961
  H     12.70955784      8.17159898    -14.38736432
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  H     17.05219651      7.49879805    -12.54975535
  H     13.07382691      9.25828517    -15.43474225
  O     13.99528851      4.89177558    -13.45061485
  H     18.42786368      6.80974230    -12.77707036
  H     15.85992905      2.78743079     -9.47512459
  O     15.78148797      8.50990976    -13.33459338
  H     17.34500077      5.58248863    -18.33960659
  H     14.88872751      3.71116853    -10.25122650
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  H     12.66778934      7.44596792    -16.70039662
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  H     14.48308614      6.86705647     -9.84822890
  H     11.91099669      6.82777464    -17.90204511
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  H     13.24275340      7.43887808     -9.12120828
  H     19.35919867      6.99538777    -15.01235479
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  H     20.59245078      6.54909753    -14.19380968
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  H     13.96967895      4.79989929    -14.41196208
  H     16.97105905      5.21518075    -12.45127746
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  H     15.82235085      8.12145818    -14.22352715
  H     16.44698883      3.92279510    -11.77175434
  O     12.59086650      8.42781231    -15.30821524
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  H     16.18034980      5.42782574     -9.75332784
  O     15.82759696      3.54994212    -10.04565921
  H     17.50146181      4.11179793    -14.22367974
  H     16.80075508      6.63288785    -10.48953758
  O     12.77347091      6.90033939    -17.50333145
  H     18.65426082      4.93402807    -14.81527141
  H     15.25091363      8.91911568    -18.43046506
  O     19.63891972      6.52369868    -14.20879420
  H     13.21056719      5.16563673    -10.42845722
  H     14.32831950      7.66776660    -18.22166518
  O     16.59960798      4.33833458    -12.62897622
  H     13.35884157      4.37083885    -11.73921646
  H     13.24587792      7.43019041    -11.72830725
  O     16.17805824      6.39269951     -9.79210119
  H     17.40732632     10.64006981    -15.75317332
  H     13.50981650      6.57882134    -12.99232390
  O     15.24063409      7.95590984    -18.35392543
  H     18.12346301      9.53293443    -16.57123743
  H     16.26027779     10.14881284    -13.74687331
  O     13.31012945      7.47817620    -12.68977465
  H     16.89362686      3.16909904    -17.76749033
  H     16.65562662     11.60856394    -13.42256012
  O     16.48450407     11.00806467    -14.14330723
  H     17.20341544      4.08509569    -16.56100285
  H     15.70604274     11.41354267    -18.90139761
  O     15.56581928     10.72109891    -18.26174451
  H     17.64562153      7.50159056    -16.03216876
  H     16.38706852     10.64599697    -17.74126699
          69
 Energy    -249.29690413343840     
  O     10.84858990     10.69834194    -11.52167765
  H     11.77947345     10.87833495    -11.71308051
  H     18.01898266      6.72288069    -16.62316821
  O     13.72996046      7.19727733    -14.68914662
  H     10.48271186     10.33547789    -12.33864902
  H     16.62984000      7.81058303    -13.62820759
  O     16.36754109     10.65427299    -12.12933996
  H     13.55987624      6.68614079    -13.88760087
  H     15.18138338      8.08303826    -14.11528926
  O     17.74892095      8.15845838    -17.55134700
  H     14.16386025      6.63151205    -15.34439819
  H     10.78928104      9.39199976    -10.36182444
  O     12.73332470      9.72434637    -14.79226239
  H     16.82475375     10.32657726    -11.34409551
  H     10.33667551      8.69066140     -9.05617452
  O     16.06238848      7.41768180     -9.93574539
  H     16.19666181      9.87687820    -12.68785470
  H     19.18957756      9.50460715    -13.04582673
  O     13.40654799      6.08186102    -12.18753961
  H     17.63904098      8.93362604    -16.98386087
  H     18.88600980      8.87725522    -11.67942866
  O     15.07772896      7.94638439    -18.51426761
  H     16.91752099      8.07791746    -18.03584049
  H     10.66262431      7.43453305    -11.38577913
  O     16.07411918      5.17346791    -11.72686004
  H     11.78951443      9.67137293    -14.59974268
  H     11.50506881      6.53399083    -12.30805035
  O     17.03552255     10.18044590    -15.75162068
  H     13.04515908      8.80497257    -14.81851476
  H     18.95976458     12.17174053    -13.49055124
  O     15.16718518      5.86734065    -16.57908512
  H     15.17769314      7.78437574    -10.07504961
  H     17.78571912     11.24000945    -13.11429571
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  H     16.09886650      6.60359921    -10.44984346
  H     18.46323371      7.15828414    -13.11545250
  O     15.98967795      8.51060738    -13.80619828
  H     14.24605745      5.62674805    -12.05156693
  H     17.99118732      6.24043492    -14.30666593
  O     10.86482495      8.57177384     -9.84021655
  H     13.45798618      6.89183244    -11.65720911
  H     17.26073299      8.63314609    -10.01498840
  O     19.23599211      8.67552870    -12.55756080
  H     14.79668671      8.72564268    -18.00158484
  H     18.22555085      9.58773781     -9.27203977
  O     10.69381263      7.05394146    -12.27308866
  H     14.67372681      8.02476556    -19.37396292
  H     15.33734863     10.34066569    -16.59556955
  O     18.57675286     11.31747856    -13.67371532
  H     16.72248387      5.57800484    -12.32800745
  H     13.83549924     10.11655072    -16.27932217
  O     17.83868398      6.46455571    -13.37875113
  H     16.39443476      4.29617034    -11.53134790
  H     13.58737755      9.17066223    -11.20967328
  O     17.88725168      9.37047699    -10.13607261
  H     16.64237224      9.54698922    -15.13133966
  H     12.68727100      8.41390768    -10.20019947
  O     14.48565775     10.11691493    -16.99300481
  H     17.65444114     10.69995519    -15.22779524
  H     14.50174911     10.88514892    -12.22328369
  O     13.55050330      8.39633993    -10.63169545
  H     15.10366489      6.50146257    -17.30685992
  H     13.37715428     10.40309304    -13.19657231
  O     13.56459424     10.66449769    -12.28315067
  H     16.10767560      5.76219681    -16.39886955
  H      9.29166782      9.07396500    -14.30731079
  O     10.11871435      9.21390100    -13.85391878
  H     18.63049387      5.30462444    -16.55824888
  H     10.31036923      8.39467567    -13.36347226
          69
 Energy    -249.29681571406707     
  O     11.61556855     10.27808411    -11.40850028
  H     11.99157493     10.69607644    -12.19385242
  H     14.97887576      6.00555008    -15.62219091
  O     13.86197201      6.78807783    -14.36877370
  H     11.18577610      9.47067741    -11.71546312
  H     17.31993565      6.05427128    -16.25596903
  O     18.19958699     11.11559637    -11.57332976
  H     13.74476764      6.68070100    -13.41543123
  H     18.61952843      5.46300566    -16.83620126
  O     17.35808107      8.48815224    -17.91111133
  H     13.18743545      7.42172555    -14.64771352
  H     15.33407730     11.21555327    -16.07394297
  O     11.94126999      8.77374817    -14.74605106
  H     18.18419912     10.31737931    -11.01377146
  H     14.61321866     12.46767909    -16.62589554
  O     15.71672727      7.97575661     -8.70969294
  H     18.66363082     11.78881512    -11.08332836
  H     15.24876168      7.94139770    -14.20133494
  O     13.40470927      6.87051001    -11.60946059
  H     16.49821482      8.16598157    -18.21283108
  H     16.24504503      9.04003181    -14.71467768
  O     15.51806607     10.58069696    -12.22484678
  H     17.77792359      7.74266133    -17.46666163
  H     17.05195651      7.56106956    -12.87668446
  O     14.75295361      7.49168212    -18.47559098
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  H     12.36772409      9.55614206    -14.36472785
  H     10.16204305      7.05537427    -12.12951984
  O     16.81136203     10.29684267    -15.93774047
  H     15.04043163      8.47927788     -9.19396414
  H     11.69216580      7.25980680    -12.07190678
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  H     15.45649007      7.98030187     -7.79214993
  H     18.75101576     10.55301665    -13.31474810
  O     18.27626536      6.21338866    -16.35668018
  H     14.13493980      6.31593271    -11.29780869
  H     19.22105760      9.35239719    -14.17612812
  O     14.46441378     11.64300615    -16.17046428
  H     13.57219158      7.74159180    -11.22440976
  H     20.59529470      7.23311751    -14.42189920
  O     15.97898318      8.51837145    -13.94682660
  H     15.68019168      9.82914199    -12.81701102
  H     19.18932543      7.03483807    -15.03022360
  O     17.68513701      7.06109663    -12.33928893
  H     16.38419993     10.93140760    -11.98969822
  H     17.30639534      8.57851525     -9.56735981
  O     10.85962942      7.65641534    -12.37857605
  H     14.33976595      7.27324268    -19.30655091
  H     17.97099589      8.15918224    -10.89207623
  O     18.93054262     10.27094776    -14.21993341
  H     14.17277052      8.14031658    -18.03856788
  H     12.61160938      9.06828520    -16.47256046
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  H     16.46280648      6.08777315    -11.24389443
  H     13.59948165     10.14382930    -16.95662280
  O     18.00828494      8.81722905    -10.18347003
  H     15.80533646      6.42051794     -9.89290322
  H     13.09235830      9.70783364    -10.51345816
  O     13.19826355      9.30169266    -17.20308543
  H     17.60121320     10.41559577    -15.38920229
  H     14.58350464      9.79233810    -10.91585509
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  H     17.04680862      9.73791462    -16.69290815
  H     13.53240513     11.38379185    -14.55159510
  O     13.20262206     11.04906500    -13.70798024
  H     15.26581316      6.31446184    -17.10317868
  H     13.98349869     10.97934551    -13.14041631
          69
 Energy    -249.29680546675712     
  O     13.08247031      9.19231895    -16.40659045
  H     12.63081935     10.04453099    -16.37109593
  H     17.21711250      9.29900940    -11.52801074
  O     12.27043933      8.09104241    -12.74328400
  H     12.41740918      8.53326452    -16.16799817
  H     16.89586583      7.03258560    -12.69220182
  O     14.58104103      8.74453444    -14.17631121
  H     12.75810874      7.91393163    -11.92866615
  H     15.86166584      8.10117880    -13.11375375
  O     13.17546118     12.87666691     -7.01799049
  H     11.74197439      8.89158301    -12.60842655
  H     12.69219523     15.40666606    -11.61205058
  O     11.59104129     11.63637095    -16.05786031
  H     14.24143615      8.89672691    -15.07002742
  H     12.47317928     14.12064493    -10.78601852
  O     14.69574898      8.62135951     -7.95688016
  H     13.80717002      8.50645627    -13.64471110
  H     14.95681618      7.78651396    -11.14124186
  O     13.92912424     10.72993014    -10.60209700
  H     13.45888632     13.35284265     -6.24227807
  H     14.08782269      8.94066574    -10.58402691
  O     12.42331379     10.12050327     -7.39589004
  H     13.97406532     12.69539403     -7.54528714
  H     18.05301574     12.58607617    -13.02246119
  O     15.63589174     13.89592548    -10.79593300
  H     11.82374781     12.03949278    -15.20568857
  H     17.41350824     11.56315956    -12.04889246
  O     11.24716416     10.72586787     -9.91107054
  H     11.47413020     12.35442048    -16.67554180
  H     10.15456459     10.19479742    -13.37965960
  O     12.32529810     12.53925546    -13.54344787
  H     13.90145130      9.10214746     -7.67882073
  H     11.23578130     11.17296396    -12.85642494
  O     17.54481592     10.11539917    -11.13221920
  H     14.45625713      8.15628911     -8.76653135
  H     15.97128338     11.63858315     -8.52153856
  O     16.42762463      7.80375536    -12.38133707
  H     14.24067920     11.02848603    -11.46473586
  H     15.51881574     12.91500243     -9.34254822
  O     12.90102992     14.47600849    -11.58666465
  H     14.36205032     11.26194849     -9.92375429
  H     15.62809069     11.69491095    -13.15612207
  O     14.13555081      7.97405692    -10.67169079
  H     12.60282144     11.02735189     -7.12105164
  H     14.78143278     10.45601700    -13.61829770
  O     17.23199480     12.34513488    -12.60315387
  H     11.84002331     10.19820610     -8.16173671
  H     10.17066035     10.43201814    -15.52738504
  O     10.71363116     10.39631388    -12.61629625
  H     14.76945167     14.08771223    -11.17500428
  H      9.99920387      8.93421451    -15.21664747
  O     15.27412220     12.29476672     -8.63786931
  H     16.17359215     13.48684006    -11.48409737
  H     16.14717301      9.51210996     -8.18318780
  O     14.73379564     11.34026972    -13.23185548
  H     12.19336566     10.72774785    -10.12823464
  H     17.57347380      9.84621952     -7.68388617
  O      9.60106848      9.80117180    -15.06857741
  H     10.80162321     10.55561177    -10.74937806
  H     11.38324371     12.54641471     -9.56718360
  O     16.93790692     10.05411669     -8.36336455
  H     12.38674221     13.28141100    -12.93054089
  H     12.14329578     13.38400935     -8.52817560
  O     11.72159345     13.43548898     -9.39409045
  H     13.19739540     12.11451641    -13.51547232
  H     10.92748932      6.48902071    -15.27237100
  O     11.18295982      7.40505294    -15.19734959
  H     17.36705854     10.05842420    -10.18523577
  H     11.54219450      7.52140034    -14.30204191
          69
 Ord_Energy   -249.296539    
 O    2.35019135       1.00233948      -2.77309203    
 H    3.21989679      0.752377570      -3.10816383    
 H    1.75218046      0.313289016      -3.10085964    
 O    5.22366476      -4.23657799     -0.723586082    
 H    5.53837109      -3.78834748       7.15836287E-02
 H    5.81502628      -4.01284361      -1.45831788    
 O    3.19608283      -2.63058209       2.42239070    
 H    2.61387849      -1.86544490       2.34161663    
 H    2.65263271      -3.40667343       2.23877311    
 O   0.642870784      -1.04834342      -3.64438653    
 H  -0.224776745     -0.638658941      -3.54150009    
 H   0.696227670      -1.70030534      -2.92705274    
 O    4.82862806      -2.58530283      -5.12955761    
 H    5.17665052      -2.38442159      -5.99549007    
 H    4.77172804      -1.74223340      -4.64867067    
 O   0.858488679      -2.92827749      -1.68031466    
 H   0.887379944      -3.83599043      -2.00638986    
 H   0.470554054      -2.91528511     -0.796966970    
 O   -1.75795209      0.138336152      -2.73733854    
 H   -2.64068580      0.271795750      -3.07201838    
 H   -1.85206175     -0.267529070      -1.85677576    
 O    2.08614826      -3.32229614      -4.76173973    
 H    3.01336408      -3.10479808      -4.91610909    
 H    1.62538528      -2.49236989      -4.58886385    
 O    4.66948748     -0.456422955      -3.41572404    
 H    5.56745291     -0.326999724      -3.08467460    
 H    4.24149084      -1.07174492      -2.79655814    
 O    7.20119524     -0.544646263      -2.23035622    
 H    6.83876801     -0.440572292      -1.33145714    
 H    8.02075100      -5.88681586E-02  -2.25374246    
 O    6.61791706      -3.28998137      -2.89312959    
 H    6.91548967      -2.39437342      -2.68804789    
 H    6.06182814      -3.21148229      -3.67645407    
 O    6.04410696     -0.302292347      0.193117529    
 H    6.00366020      -1.10770309      0.724057138    
 H    5.14050055       3.55910100E-02  0.147150099    
 O    2.82843113      -5.63556004     -0.525964320    
 H    3.71845555      -5.26468706     -0.608777821    
 H    2.44163513      -5.62790823      -1.40866065    
 O    3.52588415      -2.19146562      -1.57625043    
 H    2.61435747      -2.50788999      -1.61005306    
 H    4.08591223      -2.92025185      -1.28487241    
 O  -0.539831102       1.40241325       1.08742452    
 H  -0.278154135       1.68354797      0.191925704    
 H  -0.876118183       2.17680502       1.53036189    
 O    1.43360138     -0.516336322       1.69198108    
 H    2.10712290     -0.238977730       1.05228043    
 H   0.753234506      0.167140424       1.66042328    
 O    1.53730714      -4.84407902       1.70870674    
 H    1.99014568      -5.15441084      0.903705120    
 H    1.39300191      -5.61167717       2.25544596    
 O    1.44834161      -5.31093740      -3.01512074    
 H    1.71709156      -4.65764141      -3.68612766    
 H   0.953543782      -5.98401356      -3.47478247    
 O    5.76942539      -2.74348330       1.61576021    
 H    6.30817795      -2.97598052       2.36761498    
 H    4.85063457      -2.68949032       1.93641329    
 O    3.28523445      0.158944085     -0.227612376    
 H    3.40805650     -0.741362214     -0.570670843    
 H    2.93177676      0.653007090     -0.976700008    
 O    3.93051691E-02   2.00322652      -1.50044227    
 H   0.884429038       1.84778011      -1.94078362    
 H  -0.610999525       1.49271512      -1.99953306    
 O   -9.33704302E-02  -2.71369481      0.891469181    
 H   0.432359159      -1.95749569       1.19440007    
 H   0.331378728      -3.50488734       1.24631178    
 O   -1.89402914     -0.786640406     -0.174603716    
 H   -1.45002532      -1.56549406      0.182174563    
 H   -1.56034899      -4.16688696E-02  0.341764688    
          69
 Energy    -249.29638572121877     
  O     -3.46901105     -2.98003154      0.06850309
  H     -3.75358838     -2.96365369     -0.84171491
  H      0.38206881     -5.71027945      1.32310333
  O     -1.75408642      2.59327309      5.12250914
  H     -2.54570199     -2.67073928      0.08076993
  H      1.59589493     -3.41103467      6.14032611
  O     -1.63759339      0.19282525      1.95660542
  H     -1.05494623      1.94787343      4.94307876
  H      2.28869320     -2.53365503      5.08455205
  O     -0.16800248     -3.47831633      6.91617524
  H     -2.38285091      2.12630533      5.68538347
  H     -0.52902778     -2.94103105      2.01579165
  O     -3.63114690      0.75968824      6.35044063
  H     -1.95644969      1.10301606      2.00503945
  H      0.13589699     -4.02720738      2.92271213
  O     -1.75366331     -1.32810055      6.10798900
  H     -2.41223327     -0.36641036      2.11706620
  H     -3.85421005     -6.46166671      4.09252637
  O     -0.61014731     -5.85199133      5.28542239
  H     -0.21297724     -3.57744536      7.86527351
  H     -2.98175389     -5.71351447      3.05564067
  O     -4.63829692      0.83854928      3.82656073
  H     -0.68201966     -2.68438710      6.70222316
  H      3.20308049     -4.39410704      4.56604919
  O     -0.93231831     -2.02923228      0.38583905
  H     -4.31685766      0.95826695      6.98266107
  H      4.31316779     -5.40025223      4.17628556
  O      0.95544799     -5.66385345      3.05480837
  H     -4.05283864      0.75941464      5.47202971
  H     -3.93291144     -1.94976267      1.57059918
  O     -2.65253806     -5.39632096      1.39588068
  H     -2.18517795     -1.93878220      5.48929539
  H     -3.55688265     -2.04361570      3.07165543
  O     -0.03368825     -5.48988463      0.47577145
  H     -2.39710624     -0.63958054      6.31796324
  H      3.42551133     -3.65312704      2.39949734
  O      2.42796101     -3.29208857      5.66963830
  H     -1.51209799     -5.88122501      4.94214197
  H      2.81419213     -2.24540216      2.42892281
  O     -0.28652860     -3.15706849      2.92403485
  H     -0.54273762     -5.06362927      5.83657119
  H     -0.68411736     -0.24752494      5.01580890
  O     -3.17552194     -5.79822469      4.00831424
  H     -4.54429980      0.02976321      3.30517503
  H     -0.67288782      0.25972500      3.54767315
  O      3.55116555     -4.93946294      3.83689629
  H     -4.15962852      1.52194708      3.34209883
  H      1.04112905     -2.05511628      3.44771601
  O     -3.88727893     -1.44115732      2.38890790
  H     -0.04524108     -2.24361726      0.06756569
  H      1.27497634     -0.63826128      3.98793318
  O      3.16908601     -2.91803449      1.83070222
  H     -0.93745666     -1.15585024      0.79988201
  H      2.05670508     -3.10485779     -1.10112493
  O     -0.23794656      0.35742181      4.40697459
  H      1.87848293     -5.52820741      3.29900413
  H      2.14052005     -3.05445858      0.43978966
  O      1.74077315     -1.43378821      3.70596308
  H      0.46140735     -5.85672789      3.86635705
  H     -2.40841568      2.77016057      3.49840856
  O      1.52290077     -3.10870994     -0.31102279
  H     -3.05196679     -4.65107899      0.93562781
  H     -2.87493606      3.57323122      2.26087360
  O     -2.79139024      2.68885821      2.60636258
  H     -1.76401577     -5.49564278      1.02318348
  H     -1.81480273     -3.12151515      3.80306947
  O     -2.68201138     -3.08401111      4.23878724
  H      0.48892186     -4.76916666      0.11077471
  H     -3.00386642     -3.99257811      4.27578779
          69
 Energy    -249.29634215166624     
  O     12.99406096      7.42993502    -13.28743850
  H     12.28624484      7.47243960    -13.94117400
  H     17.27779688      8.94560281    -17.39270620
  O     17.61445870      6.82290632    -12.72734684
  H     13.69455576      8.01608575    -13.61597816
  H     15.29957861      8.23479481    -14.95922351
  O     17.85471378      7.12611083    -17.39585100
  H     16.76954792      6.41866748    -12.96830597
  H     15.81938378      9.12298465    -13.78143436
  O     11.26407690     10.49724516    -14.44284256
  H     17.80872253      6.55709951    -11.81927259
  H     14.16482841     13.31486179    -12.42166480
  O     16.21359346      8.23199643     -9.10994873
  H     18.37563683      6.62113523    -18.01367593
  H     14.06859492     12.08796170    -13.35325223
  O     12.95224727      8.61905777    -10.81687334
  H     18.37405530      7.19365728    -16.57376784
  H     16.18366575      5.23949876    -10.43604684
  O     17.21178651      9.54652516    -12.67417933
  H     12.10780910     10.86934565    -14.72610900
  H     15.21757621      5.04475838    -11.62398084
  O     13.38491277      7.98622541    -17.18058335
  H     11.22939754     10.63935483    -13.48607029
  H     11.96815467     10.16546903    -11.29205333
  O     13.83843640      6.63653364     -9.04123451
  H     15.97770351      9.03013064     -9.59705068
  H     12.41073554     11.53089416    -11.84226601
  O     15.46427595      6.68621508    -15.99082660
  H     15.38400301      7.76356802     -8.94820945
  H     18.67660676      7.19355674    -14.23598702
  O     11.17175004      7.97800217    -15.35864705
  H     12.88080714      8.15471752    -11.66437095
  H     19.08871656      8.49525386    -14.96231281
  O     16.99822294      9.84542612    -17.18520080
  H     13.12499965      7.94826694    -10.14601386
  H     15.30538131      5.79055419    -14.37451203
  O     15.05208029      8.92618890    -14.33076020
  H     17.39763411      8.60032077    -12.58135330
  H     14.32430038      6.14118711    -13.25809308
  O     14.11564490     12.36186338    -12.42231813
  H     16.58428874      9.80311472    -11.98482512
  H     18.47546411      6.00929726     -9.38569528
  O     15.27824312      4.99252226    -10.66176394
  H     13.62802868      8.90283071    -17.35527455
  H     17.30425940      6.98437170     -9.66353306
  O     11.63968402     10.96421707    -11.72559489
  H     12.59384761      8.00306019    -16.62749731
  H     14.41417511     11.04062905    -18.52792260
  O     19.10151592      7.53286249    -15.03482458
  H     14.27656605      5.99394812     -9.62741404
  H     15.37393840     10.38491845    -17.50831523
  O     15.14475055      5.65716703    -13.42930653
  H     13.41227651      6.13543812     -8.35123282
  H     14.92113069     11.05416060    -11.32391406
  O     17.79808982      6.22412636    -10.02079846
  H     14.71246829      7.02810415    -16.50084195
  H     14.43535304      9.65821779    -10.88246206
  O     14.44978536     10.65721973    -17.65564286
  H     16.24983588      6.74617970    -16.54601913
  H     18.12091399     10.19279052    -14.03710986
  O     15.21464717     10.23381780    -10.90858351
  H     10.28016113      7.71213984    -15.56539629
  H     19.21303180     11.07798828    -14.67977003
  O     18.60863276     10.36259596    -14.86114993
  H     11.12713610      8.90115969    -15.04660574
  H     14.04185945     11.34466167    -15.94356187
  O     13.93451469     11.32531439    -14.98558754
  H     17.51797604     10.11191736    -16.41752348
  H     14.30511145     10.46749043    -14.72171352
          69
 Energy    -249.29600893855920     
  O     15.80123626     13.31761316    -11.92747376
  H     15.42712966     13.97146172    -12.51165788
  H     13.53090915     12.03128068     -7.04571682
  O     18.42610376      6.92042788     -4.70307720
  H     16.26134665     13.80568643    -11.22053754
  H     15.23564995      8.42986215     -7.28497932
  O     16.17609401     13.46783357     -7.53512304
  H     18.62659195      6.04323699     -4.38764624
  H     14.86922111      9.44058873     -6.18581840
  O     15.74540519      7.35668630     -4.47207123
  H     17.45758501      7.01594766     -4.66128786
  H     19.66425454     10.46553870     -9.97651083
  O     13.31498713     10.78747901     -8.24054781
  H     16.39330371     12.60122301     -7.91489539
  H     18.85757360     11.29773600    -11.04406176
  O     19.80729088     13.86432378     -9.32074985
  H     15.32364846     13.36596026     -7.09990667
  H     18.04579133     14.46558413     -9.78441183
  O     18.84522245     13.38426654     -6.65135285
  H     15.20973702      7.63692259     -5.22434058
  H     16.68654700     14.33330624     -9.07727219
  O     20.22124263      8.76976426     -9.43002493
  H     15.64287492      8.04618405     -3.80470654
  H     18.60687746      8.54946935     -3.63165301
  O     16.78288435      8.43242238     -8.19645767
  H     13.59424009      9.95772141     -7.83217523
  H     18.59103664     10.03624532     -4.02173949
  O     15.61436332     10.83863321     -5.25573021
  H     13.69704526     10.81353308     -9.12589570
  H     16.69716593      8.58966960    -11.80786105
  O     14.76095974     10.99074850    -10.72499030
  H     19.69836846     12.95004172     -9.63493000
  H     15.77050583      8.50063821    -13.04254889
  O     13.75213037     12.66115249     -6.33471189
  H     20.64483819     14.17274448     -9.65658771
  H     16.11342297     11.08986320     -9.52303052
  O     14.51690401      8.69097836     -6.68977330
  H     17.90930863     13.56648466     -6.81518730
  H     17.65432627     11.22506352     -9.28616808
  O     19.27736160     11.32715031    -10.16926014
  H     19.29310865     13.60300187     -7.47624997
  H     18.67250886     11.73566623     -5.98056200
  O     17.09673397     14.56674236     -9.92199983
  H     19.93241478      8.65728099     -8.50864905
  H     17.42908087     10.86865092     -5.63157958
  O     18.47416330      9.43458747     -3.27228312
  H     21.10786375      8.42071712     -9.48024732
  H     19.08925886      7.88176496     -6.14954333
  O     16.08051913      9.09663828    -12.36611423
  H     16.74518785      9.38435368     -8.38201593
  H     19.01157108      9.39361353     -6.49228765
  O     16.80345365     11.10439483     -8.84494824
  H     17.58296984      8.30636000     -7.67184022
  H     17.30786660      7.88285879     -9.85545481
  O     18.39463730     10.85644288     -5.68821297
  H     15.54268428     10.57933068     -4.32757864
  H     18.68761569      8.05300787    -10.47980746
  O     19.23681562      8.52225736     -6.85673040
  H     14.97433590     11.53639721     -5.44167584
  H     15.63526034      9.79817772     -1.80028485
  O     17.77960612      7.82111493    -10.69928236
  H     15.09116966     10.28573419    -11.29789032
  H     16.79353513      9.60900289     -2.81048535
  O     15.82365828      9.65583256     -2.72343586
  H     14.97500584     11.82628114    -11.16299872
  H     17.18738634     12.08914048    -12.39154107
  O     17.81467338     11.35901883    -12.46872124
  H     12.93822645     13.08501180     -6.07841378
  H     17.27459702     10.56491668    -12.56562434
          69
 Ord_Energy   -249.295868    
 O   -6.63521719       1.96067357      0.235162109    
 H   -6.93234205       2.77885771      0.675589740    
 H   -7.29239988       1.74209440     -0.419124424    
 O   -3.50356889       1.21109664       5.65828943    
 H   -4.21049976       1.73988104       6.04619360    
 H   -2.77845764       1.82925093       5.49394512    
 O   -3.19371581       5.21642447     -0.194496021    
 H   -2.67681384       4.97036552     -0.972313344    
 H   -2.55315804       5.29559183      0.531158924    
 O   -3.57530975     -0.288602144       3.37987018    
 H   -3.53202796      -1.20639360       3.63858175    
 H   -3.56274772      0.228446648       4.20471859    
 O   -5.48662090       3.05858874       6.65140438    
 H   -5.09758043       3.94399977       6.53343582    
 H   -5.91351891       3.05922771       7.50407791    
 O   -1.38770854       4.19810009      -2.07957387    
 H   -1.32880342       4.11209202      -3.02751803    
 H   -1.14696825       3.33112335      -1.70680702    
 O  -0.546762943       1.86715305     -0.934950829    
 H   -1.03552830       1.38854682     -0.254520208    
 H   0.306046724       2.08739805     -0.538670242    
 O   -1.65175724       6.94622135       3.79834914    
 H   -1.48313904       6.58083487       4.67435026    
 H   -2.61309171       6.91470766       3.69108200    
 O   -4.37740469       5.49636221       6.19954157    
 H   -4.53870440       5.92289019       5.34844208    
 H   -3.42816687       5.57718086       6.35543013    
 O    1.70521975       2.82051063      0.548210979    
 H    2.55008960       2.49169230      0.843514383    
 H    1.11030662       2.79814601       1.31757784    
 O   -1.18246889       5.30980873       1.66250980    
 H   -1.22182250       5.95571804       2.38202906    
 H  -0.467039466       5.52909803       1.04791725    
 O   -2.02712083      0.961858928       1.35361397    
 H   -2.72219491       1.53588665      0.992908835    
 H   -2.45964193      0.434181482       2.03539658    
 O   -6.54457092       3.03224945       4.05105352    
 H   -6.35398149       3.00226998       4.99567509    
 H   -6.52850008       2.12214565       3.71232057    
 O   -5.46790361       6.41262913      0.855847239    
 H   -5.75768185       7.14195538      0.312592596    
 H   -4.68473577       6.03773546      0.420747280    
 O   -1.53115165       5.48025656       6.27532244    
 H   -1.54172826       4.63629246       5.79098320    
 H  -0.877485931       5.39539099       6.96427107    
 O   0.676758409       5.35091639     -0.366694003    
 H    1.17986178       4.56052351     -0.132150963    
 H    5.82671091E-02   5.07049465      -1.05241883    
 O  -0.275719345       2.82556963       2.44884109    
 H  -0.866456270       2.14140058       2.10046935    
 H  -0.641120851       3.68770099       2.19088387    
 O   -4.37983608       6.33539534       3.48488307    
 H   -4.16249847       5.39557266       3.37905073    
 H   -4.83508062       6.57661247       2.67185807    
 O   -1.75164902       3.20820713       4.77028322    
 H   -2.55625939       3.37813473       4.25318336    
 H   -1.06564784       3.00566077       4.12272930    
 O   -7.21013403       4.21994829       1.58377481    
 H   -7.07043505       3.97246313       2.50872660    
 H   -6.66304970       4.99289513       1.40472662    
 O   -3.97297740       3.61629224       3.18811202    
 H   -3.93823457       3.26826239       2.28962445    
 H   -4.84465933       3.38614011       3.53852725    
 O   -3.97529197       2.66281915      0.548360348    
 H   -4.88232088       2.41801310      0.325446546    
 H   -3.78331876       3.53129435      0.172693074    
 O   -6.24044132      0.633196235       2.77556372    
 H   -5.34373999      0.289021999       2.86557555    
 H   -6.34928226      0.909325778       1.85775518    
          69
 Energy    -249.29492631199770     
  O     13.90065647     11.72374000    -16.13329361
  H     14.57205642     12.07920353    -16.73026559
  H     19.73699339      8.28801038    -15.21639336
  O     18.94033998      7.79335586    -10.63752973
  H     14.32882120     11.02755832    -15.60884329
  H     17.45565507     12.59503053    -14.51179054
  O     16.05214633     10.42814482    -12.22578740
  H     17.97307305      7.84531983    -10.71656536
  H     16.10312684     13.36090722    -14.45739665
  O     12.62683191      9.30611412    -16.94247737
  H     19.13064296      7.64368726     -9.71477569
  H     14.65246717      7.86127937    -18.92671285
  O     16.23690152      6.22723455    -13.49726436
  H     15.61139921     10.20166978    -13.06119395
  H     14.05822451      8.66172078    -17.74671568
  O     13.53095968      5.95311357    -13.16076646
  H     16.18032970      9.59250567    -11.76000756
  H     14.03203352      9.22884130    -14.41670687
  O     18.90428995      6.04879619    -12.92625601
  H     12.85801150     10.22751283    -16.76483913
  H     15.44352545      9.01083907    -15.01215256
  O     14.12655318     13.53118696    -14.04387310
  H     12.40598503      8.91853071    -16.08575218
  H     16.75602150     11.11845060    -17.94196761
  O     18.48939749      9.38370832    -15.84605368
  H     17.15702553      5.99692555    -13.29999175
  H     16.31956901      9.65234365    -18.17322419
  O     16.25115826      7.85076952    -11.18675751
  H     16.24749146      6.67284117    -14.35692552
  H     13.43718106      6.97017480    -11.51640512
  O     16.09664596     12.80497146    -17.51939820
  H     14.49650467      5.96681777    -13.27582346
  H     12.97550929      8.36181670    -11.05611345
  O     20.35982383      7.71464365    -14.73848679
  H     13.26234863      5.03992374    -13.22497095
  H     19.81696730      9.03187639    -11.81486005
  O     16.89812494     13.22779808    -14.98474943
  H     19.03921482      6.52624388    -12.09861225
  H     20.41638048      8.92998083    -13.22559887
  O     14.88918700      8.33871058    -18.13565725
  H     19.42811315      6.52074686    -13.58619978
  H     13.74122304     12.46093332    -12.53847358
  O     14.88370613      9.66115360    -14.57088664
  H     13.71607670     14.37192838    -14.23321863
  H     14.53430343     11.37959947    -11.79345144
  O     17.08881887     10.21642911    -18.03225602
  H     13.92269868     12.94711456    -14.79261591
  H     19.04380644     10.74794532    -13.25931313
  O     13.54471523      7.62223727    -10.81249493
  H     18.11693762      9.74032028    -16.66645747
  H     17.52140212     10.96035890    -13.11507711
  O     20.20141282      9.55900131    -12.52630604
  H     18.37729011     10.04408979    -15.14795054
  H     12.14399029      8.82627235    -13.45921388
  O     13.65661242     11.78140054    -11.85939569
  H     15.33686043      7.80235913    -10.87223172
  H     12.75279421      7.47905241    -13.93930834
  O     18.27718263     11.15553888    -13.68756027
  H     16.28100181      7.33192725    -12.00262648
  H     11.09022379     10.00657763    -11.43472067
  O     12.46292575      8.35060020    -14.23904172
  H     16.46619003     12.99105437    -16.63597281
  H     12.49353615     10.50378477    -11.85297713
  O     11.89448226      9.73580721    -11.86950971
  H     16.26292830     13.57428231    -18.05698184
  H     17.15163595      8.17468631    -15.87097402
  O     16.33867643      7.64948887    -15.83364830
  H     21.08963779      7.55136147    -15.33067836
  H     15.87796324      7.75231158    -16.67581305
          69
 Energy    -249.29462444261858     
  O     11.28149466      9.44501635     -9.49656545
  H     10.87781418      9.95750492     -8.80165838
  H     18.61622530      8.57083436    -16.69419686
  O     13.64503955      6.62957749    -16.38441547
  H     10.97232745      9.81856091    -10.34147133
  H     15.87367370     11.21526580    -12.49022135
  O     18.44833015      8.37726694    -10.86566479
  H     13.27967412      6.21978030    -17.16335605
  H     15.52286311     12.68703309    -12.80737508
  O     16.78662434     11.17176953    -15.65700822
  H     14.31840698      6.01750651    -16.03197368
  H     16.09487403      7.27411491    -13.28378767
  O     13.22129676     10.10322824    -13.07992184
  H     18.30370002      7.42580897    -10.80556849
  H     16.21103432      8.76170399    -12.83414075
  O     15.68771334      5.62666715    -12.61667076
  H     18.86531209      8.51971526    -11.72730844
  H     10.29871129      7.03471643    -11.33956265
  O     12.41071077      7.63575609    -14.09256107
  H     16.24579576     10.43416623    -15.97306785
  H     10.85498715      7.61246410    -10.02871214
  O     16.25362360      9.91633229    -11.35905327
  H     16.38146518     11.45747884    -14.82997540
  H     18.97021216      5.46982797    -14.38429002
  O     15.51975055      8.73733926    -16.16027781
  H     13.44145157      9.72757845    -12.21454238
  H     19.41236134      6.70946959    -13.58960754
  O     15.54243995      5.04848290    -15.33422957
  H     13.91294999     10.74303933    -13.27987241
  H      9.19135463      7.41010995    -13.70892371
  O     19.30677855     10.18388797    -15.87005852
  H     14.85968539      5.76638622    -12.13734216
  H     10.70981778      7.64475434    -13.53202254
  O     18.06424404      7.83132783    -16.97203110
  H     16.40798106      5.50951462    -11.98468677
  H     19.31821908      9.13398092    -14.31970343
  O     15.51734323     11.80677845    -13.17602816
  H     12.80458056      7.30557929    -14.90914610
  H     18.12943528      8.37616982    -13.69329678
  O     16.28823381      8.16937170    -13.59196827
  H     12.76235172      8.51999207    -13.91438225
  H     18.69777262      4.74946722    -16.80041582
  O     10.75285528      6.78997660    -10.52302380
  H     15.47468388      9.57305902    -10.89990035
  H     18.23232542      6.18302019    -16.45548962
  O     19.30592975      5.74986351    -13.52484035
  H     17.03557811      9.43825342    -11.04473863
  H     18.54932813      5.51997341    -11.98256606
  O      9.84586760      7.73271988    -13.09480677
  H     15.76837696      8.54291564    -15.24096122
  H     18.47619190      4.86159939    -10.58297041
  O     19.08247372      8.52954750    -13.60723969
  H     14.82376461      8.11231704    -16.38677510
  H     12.38953940      6.35853755    -11.19104372
  O     18.25524924      5.26472759    -16.13093326
  H     15.58002723      5.11110140    -14.36987679
  H     12.97929710      6.74483128    -12.56800299
  O     18.05765201      5.51254907    -11.13978400
  H     16.45785630      5.05409567    -15.63893539
  H     13.69732101      7.99665951    -10.88960389
  O     13.21748487      6.41623793    -11.68913387
  H     18.43723230     10.61760722    -15.79683679
  H     13.03013182      9.13009131    -10.06693775
  O     13.81373793      8.90750799    -10.58469649
  H     19.89771553     10.81801387    -16.26607814
  H     11.42975261     10.38750986    -12.47424383
  O     10.59659052     10.25807018    -12.00226857
  H     17.15347497      8.12023028    -16.82503050
  H     10.18652058      9.48223069    -12.40590328
          69
 Energy    -249.29445901982578     
  O     10.12548919      5.62742596    -12.68737270
  H     10.54991843      4.95238151    -13.22898609
  H     16.35635758      5.31287613    -13.66071541
  O     14.88583837      3.70676279     -8.70272073
  H     10.39813492      6.46636735    -13.08102985
  H     14.68264087      5.84292927    -12.46934742
  O     16.45315477      8.57913295    -13.30694691
  H     15.21623637      3.40555089     -7.85976495
  H     13.71908432      4.86255684    -11.75502410
  O     17.46271257      4.10964070    -12.79777462
  H     15.23750234      4.60338196     -8.83533923
  H     10.34747319      5.81226653    -10.93946388
  O     16.36323649      8.83227330     -9.61163918
  H     15.76958826      8.88319122    -12.69042598
  H      9.72022544      6.09821710     -9.55625418
  O     11.58370851     10.15255667    -15.18953670
  H     16.33261739      9.07183163    -14.12944956
  H     15.06586266      9.47738340    -15.99571768
  O     13.20390518      6.22086413    -15.11993248
  H     18.20325303      3.60893349    -13.13004104
  H     16.25395124     10.40538864    -16.34244726
  O     15.54638612      2.52950337    -11.30032984
  H     17.80555807      4.69189503    -12.09505305
  H     11.78180940      7.38422789    -10.53554741
  O     13.87201046     11.14886718    -13.78415048
  H     17.19070883      8.83657479    -10.10630677
  H     13.07958287      7.07389981    -11.29440068
  O     18.20151953      5.79025456    -10.84221222
  H     15.71020074      9.24653688    -10.19254496
  H     17.87160032      8.56772770    -12.21523789
  O     15.76195100      6.15740684     -9.47424381
  H     10.71971931     10.48967418    -15.41027935
  H     19.22199100      9.15158785    -11.73858240
  O     15.71071781      5.97704898    -13.93563289
  H     11.44657995      9.37981922    -14.61344059
  H     13.75011714      9.08581547    -11.33794356
  O     14.13418627      5.73010500    -11.68252786
  H     14.10412681      6.08265523    -14.79284031
  H     14.23415199     10.24712174    -12.26456140
  O     10.55541059      6.02019054    -10.01065593
  H     12.71829423      5.39978218    -14.96974806
  H     13.47043638      7.75968490    -16.18760576
  O     15.80396555      9.98640244    -15.61409313
  H     15.45388009      2.87817870    -10.40504513
  H     12.88183302      9.18820015    -16.21856620
  O     12.47241306      7.79696196    -11.06634932
  H     16.22033997      3.05570774    -11.74614369
  H     12.98440727      3.73800468     -9.16954136
  O     18.54059069      8.52416989    -11.51143963
  H     13.04540767     10.93394403    -14.23376314
  H     11.67503864      4.48452101     -9.57773518
  O     14.52113492      9.60733771    -11.59636924
  H     14.56930343     10.92464532    -14.41161036
  H     12.12399738      7.33809164    -14.15016281
  O     13.62883936      8.65381990    -16.51702652
  H     18.46087594      6.69661350    -11.04765491
  H     11.82928631      7.97162398    -12.75714479
  O     12.12440551      3.63126313     -9.59484686
  H     17.42619166      5.86208000    -10.26927007
  H     12.22807617      3.57602059    -13.57205008
  O     11.50717778      7.90762943    -13.66699725
  H     15.19328932      6.04184117    -10.24986430
  H     11.45018194      3.16306725    -14.84452186
  O     11.75182709      3.92028614    -14.34940671
  H     15.92040324      7.10717483     -9.37594851
  H     12.56767411      3.19089527    -11.25278662
  O     13.02171347      3.14641037    -12.10827160
  H     16.07673622      6.85410831    -13.75196288
  H     13.90387282      2.78289825    -11.94208289
          69
 Energy    -249.29422288524867     
  O     11.97900235     10.96596267    -14.82943585
  H     12.61402528     11.68412800    -14.72559449
  H     14.09452251      5.77858321    -15.59033944
  O     16.03523550      6.74858102    -13.30665579
  H     11.70957707     10.68309569    -13.94657955
  H     15.28622762     11.09427890    -17.32528897
  O     17.19083200     10.69479337    -11.01422374
  H     16.95593106      7.00837428    -13.18126056
  H     16.42629335     11.43890261    -16.35759785
  O     17.60667729     10.31323428    -15.40410800
  H     15.54727842      6.92463975    -12.48981852
  H     14.51873605      9.00879219    -15.05879201
  O     12.30123559      6.38386019    -15.33477298
  H     16.50903250     10.96836028    -11.64562430
  H     15.50793027      8.26245205    -14.11399619
  O     15.57104362     10.05159754     -8.88575955
  H     16.73695986     10.58752381    -10.16573098
  H     11.40427386      8.88063932    -12.48119966
  O     14.41357014      7.40538959    -11.14400207
  H     18.08889784     10.55225077    -14.60315999
  H     10.25056585      9.81689561    -12.04831836
  O     15.15134812     11.25496212    -12.78814300
  H     16.78486493      9.87821408    -15.12241684
  H     18.40218179      7.68169166    -11.40424693
  O     16.27840343      7.43871119    -17.45080737
  H     12.51556545      7.26740001    -15.68412831
  H     17.75885362      8.89820931    -10.71821767
  O     16.06695230      7.18905925     -8.88632050
  H     11.57940421      6.04728222    -15.85988332
  H     12.81320857      7.10912123    -12.15105590
  O     18.82363017      7.96365125    -16.17646660
  H     15.68682620      9.11296605     -8.69685036
  H     12.12817224      6.86858331    -13.52559193
  O     15.04789112      5.69290011    -15.70573645
  H     14.75277593     10.11709862     -9.39753140
  H     19.87527369     10.97063333    -12.75419507
  O     15.61067809     11.78898858    -16.73897174
  H     14.87594186      7.19324965    -10.32387691
  H     18.45414375     10.67670446    -12.22594213
  O     15.28096691      9.12670979    -14.48047735
  H     14.13963468      8.33012042    -11.06548945
  H     18.87654714      8.65722482    -13.19403803
  O     11.15998120      9.81351512    -12.33537746
  H     14.82719734     11.97095856    -13.34593090
  H     18.81791706      7.57050701    -14.27368140
  O     18.03956132      7.98578373    -10.56562853
  H     15.16591931     10.46491831    -13.35144679
  H     15.34339172      8.77345741    -17.99678356
  O     12.00688025      7.26981198    -12.65662862
  H     15.82220918      6.77715883    -16.90829572
  H     14.66042000      9.46733177    -19.19996818
  O     19.05420492     10.54008160    -12.97901528
  H     17.17069146      7.49831467    -17.09672288
  H     12.64967177     10.05149237    -11.23129663
  O     18.70722262      7.71458980    -13.32576672
  H     16.84160542      7.38225310     -9.44539345
  H     14.07287137     10.57300848    -11.50787514
  O     14.77055843      9.52013356    -18.25453806
  H     16.35453450      6.57269100     -8.21874880
  H     13.99244519     13.84464199    -14.94876106
  O     13.54324308     10.07498295    -10.86868296
  H     19.58815493      8.08501988    -16.73494470
  H     14.61812571     12.54791807    -15.51364208
  O     14.09704254     12.91296175    -14.77583038
  H     18.45252331      8.84751654    -16.01161008
  H     13.50137963      9.13385127    -16.96452199
  O     13.03016362      8.86238294    -16.16787149
  H     15.43209413      5.90093137    -14.84303337
  H     12.59145615      9.63496085    -15.77751674
          69
 Ord_Energy   -249.293930    
 O   -4.84458399     -0.350621104      -4.09295273    
 H   -4.56578350       5.51512614E-02  -3.26100707    
 H   -4.34220314      0.109463707      -4.77435589    
 O   -4.13909674      -3.55070662     -0.825983346    
 H   -4.31656837      -3.36314487      -1.76717007    
 H   -4.72354364      -4.25881386     -0.570698738    
 O    2.39608645     -0.136542767      0.669021428    
 H    2.03098106     -0.729848087       1.33808708    
 H    1.69652414      0.501278043      0.487300217    
 O   -3.47933364      0.539153695      -1.80216873    
 H   -2.81705165      -3.56993303E-02  -2.21580243    
 H   -3.78097534       9.31741223E-02 -0.998314083    
 O   -4.46405077      -3.02793956      -3.43359041    
 H   -3.87908673      -3.42132092      -4.08924294    
 H   -4.65632153      -2.12485051      -3.72558641    
 O  -0.429522127      -4.38351059      -3.50726414    
 H  -0.718105793      -4.10650921      -2.63048840    
 H   0.457501203      -4.02412415      -3.62530351    
 O   -1.22583747      -1.03146648      0.889317811    
 H  -0.874039948     -0.220006406      0.493448317    
 H   -1.26297235      -1.70050967      0.193855748    
 O   -4.49570790E-02   1.20099163     -0.296190411    
 H  -0.651211441       1.86682832     -0.639284968    
 H   0.364701182      0.808443546      -1.08335841    
 O   -4.04144764     -0.963514805      0.428549856    
 H   -3.14967537     -0.954599798      0.799558878    
 H   -4.17831945      -1.85380232       8.06233883E-02
 O  -0.965247869       2.22143197      -4.44684696    
 H   -1.71474433       1.83602905      -4.91776323    
 H   -1.27464008       2.45454764      -3.56409025    
 O   0.911188781      -1.96803331       2.33269000    
 H    9.06478614E-02  -1.61499000       1.94796610    
 H   0.763959289      -2.04684877       3.27159023    
 O   -1.51347041      -1.05475605      -2.94390225    
 H   -1.64846420      -1.23784137      -3.88067961    
 H  -0.636936009     -0.655829430      -2.84997821    
 O    2.61001515      -1.97273862      -1.40623796    
 H    2.11820126      -2.67119098     -0.945094526    
 H    2.76037264      -1.29101944     -0.735658824    
 O    1.50006664       1.23382080      -4.92758894    
 H   0.619996727       1.63631594      -4.80396461    
 H    2.08038688       1.92401063      -5.23579454    
 O   -1.70596731      -1.51539111      -5.72915649    
 H  -0.741717696      -1.53253913      -5.83586407    
 H   -2.02362251      -2.42584586      -5.70521164    
 O    1.07617414      -3.70380902       5.43037802E-02
 H   0.181548685      -3.61111116     -0.297519922    
 H    1.07284987      -3.26581669      0.915195525    
 O   -1.93557560       2.76212311      -1.77805138    
 H   -2.57165456       2.02457070      -1.76070571    
 H   -2.42520714       3.55133295      -1.56033814    
 O   -2.50580192      -4.13754177      -5.23725414    
 H   -2.61943102      -4.93179035      -5.75220823    
 H   -1.74928331      -4.29132652      -4.64322758    
 O    1.00900173      -1.44079220      -5.78815222    
 H    1.26901484     -0.533295572      -5.58550501    
 H    1.45564258      -2.00791001      -5.14825058    
 O   -1.42647207      -3.07854319      -1.12699914    
 H   -1.46937621      -2.39073038      -1.81171584    
 H   -2.33407593      -3.36384821     -0.954857051    
 O   -2.98602176      0.865477443      -5.93476915    
 H   -3.20931721       1.07424891      -6.83868694    
 H   -2.53608394       1.79898005E-03  -5.95007515    
 O   0.985585392      -2.16517095E-02  -2.50941634    
 H    1.33486187      0.405052453      -3.30074072    
 H    1.60417819     -0.698266506      -2.20590353    
 O    2.18894649      -3.20334888      -3.84179115    
 H    2.44088984      -2.78168416      -3.00485611    
 H    2.91210723      -3.78069186      -4.07868195    
          69
 Energy    -249.29312357992617     
  O     12.88739543     10.92433908    -14.81735753
  H     12.67793185     11.20855417    -13.91982931
  H     20.13331473      4.58999581    -11.88625946
  O     14.99905964      5.87182948    -12.13696466
  H     13.77780365     11.23564798    -15.01773507
  H     15.64430417      8.89648804    -16.85136535
  O     17.93371895      9.17346055    -11.21923216
  H     15.84298583      5.97591971    -11.67114824
  H     17.12404503      9.03399272    -16.43171481
  O     18.10711338      7.81121436    -15.30402534
  H     14.36946301      6.45298421    -11.68968684
  H     15.41360131      7.10208002    -13.40833160
  O     14.32265412      7.65620842    -16.41314306
  H     17.58529913      9.49977036    -10.38093852
  H     15.13340406      7.75414093    -14.80600829
  O     13.58548925      7.76971296    -10.70399813
  H     17.43030931      9.63133333    -11.90784700
  H     11.25685094     11.78562650    -11.82185304
  O     16.16950229     10.30609179    -13.05405005
  H     18.79393410      7.90734657    -14.62959246
  H     11.72731794     10.35091039    -12.16634403
  O     17.97967413      5.41206264    -16.59575517
  H     17.27021911      7.76252510    -14.81857592
  H     11.64907167      8.37286984    -13.27365468
  O     15.50291118      7.27604395     -8.77344828
  H     13.42148689      7.79349265    -16.09760335
  H     12.08566114      8.15616444    -11.79436638
  O     17.95993198      4.07400288    -14.09877331
  H     14.48919699      6.70426350    -16.49874993
  H     19.28900797      8.41835222    -12.39816474
  O     15.12952589      3.76404841    -13.85890920
  H     13.85493893      8.68562729    -10.85424950
  H     19.74391461      6.99245646    -12.76277629
  O     19.44218658      5.19623311    -12.13835174
  H     14.09142292      7.48818290     -9.92724946
  H     18.08049662      5.94837331    -11.14817694
  O     16.38605439      9.51792234    -16.82291166
  H     15.94843722      9.42145656    -13.38862758
  H     17.53069589      7.38588824    -10.98230488
  O     15.66239241      7.82075371    -13.99949440
  H     16.07360351     10.90913481    -13.79929672
  H     15.61431473     10.26780899     -9.61048249
  O     12.01638653     11.27989008    -12.09778701
  H     18.08208959      6.29219750    -16.19403729
  H     16.39480209     10.73251556     -8.35978799
  O     11.47098629      8.63789774    -12.36346557
  H     18.54013050      5.39386430    -17.36697149
  H     15.05524311      4.56268196    -15.59101062
  O     19.73270561      7.90323052    -13.08305413
  H     15.81215809      8.18417523     -8.66721252
  H     16.09255201      5.12114745    -16.58215230
  O     17.33386483      6.45493536    -10.80568700
  H     16.17731502      6.84131666     -9.31189790
  H     15.03077873     10.47850192    -11.70873877
  O     16.33948686     10.03342243     -9.00646467
  H     17.02534303      3.86152993    -13.99211410
  H     13.60574711     10.87971011    -11.23864961
  O     15.14360678      5.05829562    -16.41396762
  H     18.04577889      4.45275766    -14.98267570
  H     15.88606762     10.94351113    -15.97801459
  O     14.43262776     10.47866175    -10.94554664
  H     15.00440475      4.48096687    -13.21398115
  H     15.86350372     12.48514648    -15.85011889
  O     15.58323330     11.68258805    -15.41905604
  H     14.60931054      3.02535626    -13.55302570
  H     11.07532374      8.49731583    -15.68894518
  O     11.90337833      8.43268297    -15.21839965
  H     18.93389281      4.76432933    -12.84834614
  H     12.24820516      9.34143248    -15.13457476
          69
 Energy    -249.29266721652448     
  O     12.55141032     12.72214640    -13.15199706
  H     12.72197687     12.84631420    -12.21146981
  H     19.14265959     11.71359944    -17.08931686
  O     20.10761085      7.42514395    -12.56289245
  H     12.01842368     11.91888980    -13.20991782
  H     12.19149407      9.42807421    -14.35955059
  O     18.29933399     10.88435078    -12.33634937
  H     21.01969961      7.14813940    -12.60967808
  H     13.50039870      8.61841068    -14.49493589
  O     12.43931841      9.97203788    -10.65473038
  H     19.98672430      8.09400515    -13.25623878
  H     15.32362809      9.83866182    -13.09290279
  O     16.05777041      7.14120806    -11.19988361
  H     17.37908340     10.78601712    -12.63071329
  H     15.31351848     11.31316169    -13.60568367
  O     14.34386372      8.34118085     -9.27673772
  H     18.41221734     11.81929229    -12.13510582
  H     13.49980349     10.05327510    -16.21183399
  O     17.75749735      5.84340112    -13.15675209
  H     12.68071318     10.87798186    -10.42411920
  H     13.39216276     10.73432186    -17.59862212
  O     14.70091836     12.49425069    -14.83888859
  H     13.06725257      9.39024525    -10.21249313
  H     17.20247103      9.60926071     -9.42798498
  O     17.26991165      7.73785181    -15.11174762
  H     16.83835271      7.68144817    -11.01095134
  H     16.31211544     10.87703917     -9.50118672
  O     18.35834787      8.70437456    -10.68121058
  H     15.39864916      7.38817602    -10.54005305
  H     19.09388140      9.97576762    -13.61663428
  O     16.65548523      9.79782669    -16.94751694
  H     14.10639668      7.97095334     -8.43001794
  H     19.37981388     10.05765213    -15.11698940
  O     18.71834408     11.39848322    -16.29535784
  H     15.06849120      8.97162947     -9.11398030
  H     16.41635634     13.14435890    -14.75219360
  O     12.80933405      9.06336703    -15.00496824
  H     17.13476414      6.06594749    -12.45348414
  H     17.84641222     12.70670039    -15.15090010
  O     15.63442152     10.73189233    -12.90379725
  H     18.60243342      6.22878932    -12.89341575
  H     18.48725544     14.43698082    -11.86317786
  O     13.95460543     10.65115024    -16.83359023
  H     13.91536041     12.68118366    -14.30158817
  H     17.73870434     13.60708145    -12.93465405
  O     16.43963999     10.04511778     -9.02784733
  H     14.42390915     11.95141372    -15.58728564
  H     14.12509007     12.66282560    -10.35860355
  O     19.42634215      9.45522633    -14.36490817
  H     17.40741673      6.93737734    -14.58388032
  H     12.94805262     13.35382741     -9.63227078
  O     17.35475486     13.32055937    -14.59373775
  H     17.99958494      8.32891152    -14.88452927
  H     10.24238704     10.07037208    -12.88529959
  O     17.96447120     13.65001999    -11.98609314
  H     19.03939725      8.16612698    -11.09977582
  H     11.61573178     10.04262760    -12.17572724
  O     13.15584752     12.71799148    -10.31208319
  H     18.34719089      9.52846853    -11.19233082
  H     15.65437712     11.69789092    -11.41169901
  O     11.17408595     10.21561888    -13.02686663
  H     16.73503186      8.96997787    -16.45667107
  H     16.52392458     12.89578432    -10.97833635
  O     15.82553284     12.30533612    -10.67280140
  H     15.72257165     10.04295321    -16.94723760
  H     15.25229804      7.71394646    -12.73757965
  O     14.99602675      8.13523628    -13.56813018
  H     17.95534942     10.86310392    -16.58240729
  H     15.73384494      8.00438698    -14.18061999
          69
 Energy    -249.29233787984663     
  O     12.01282387      9.38235466    -13.63306045
  H     12.35943655     10.22878222    -13.94176054
  H     16.70968696      7.94761785    -17.54356915
  O     15.09315286      6.77577748    -15.16213439
  H     12.18183639      8.75206401    -14.35034365
  H     20.00626422      7.95904157    -16.14037582
  O     15.66560049     10.82311269    -10.07331907
  H     14.82117053      6.11929950    -14.50802635
  H     18.47495728      7.73076958    -16.18864202
  O     17.77191077     10.61892593    -16.14960830
  H     15.39933006      7.54127044    -14.65217565
  H     13.16914063     12.51920852    -14.76718153
  O     12.52596476      7.59385766    -15.70547721
  H     14.98386428     10.35197518    -10.57228882
  H     14.37250382     11.59459516    -14.48440710
  O     15.94938546      6.48226671     -9.88904224
  H     16.15376895     10.14168863     -9.59346154
  H     16.86185409      8.40468932    -13.33001143
  O     14.34949036      5.17997493    -12.99827348
  H     17.21423443     10.33302627    -16.88556660
  H     16.11997820      9.69256942    -13.83819853
  O     14.04847387      9.25025773    -11.70897917
  H     18.33878904      9.86801415    -15.94009588
  H      9.89439017      7.57949848    -11.83463087
  O     16.02492841      9.60451357    -18.15264632
  H     12.05022307      6.83792732    -15.33530571
  H     11.11307553      8.14364627    -12.59294342
  O     17.08916002      5.22860240    -12.19288898
  H     13.46136455      7.34831335    -15.63788221
  H     18.33365643      9.20306115    -10.46856669
  O     16.12039751     11.49562725    -14.19630752
  H     16.36473727      6.00132532    -10.61503992
  H     18.43919118     10.33152540    -11.51227659
  O     17.08155553      7.19981519    -17.05893525
  H     14.99984943      6.45956428    -10.05986101
  H     12.50793597      5.18019357    -13.79624713
  O     19.19539420      8.13524263    -15.67040287
  H     15.27611295      5.04278167    -12.76403531
  H     11.26206835      5.99048260    -13.39404542
  O     13.42226913     11.60222987    -14.69073003
  H     13.97433752      5.69801850    -12.27188881
  H     16.75801112     11.63579706    -11.14067793
  O     15.99919130      8.78190295    -13.54237257
  H     13.28981422      9.37008440    -12.29279086
  H     17.76982812     12.77995460    -11.39989343
  O     10.78869782      7.37456059    -12.09746865
  H     14.79413638      9.03734125    -12.29178525
  H     18.78967840      7.68103493    -13.94004809
  O     18.78784792      9.46319892    -11.28105340
  H     15.93530419      9.84509043    -19.07101899
  H     18.68832899      8.15173735    -12.44023014
  O     11.65393285      5.49094975    -14.12071036
  H     15.14052459      9.69263892    -17.75556344
  H     17.51865970      8.54561086     -8.12144390
  O     17.41821869     11.97565435    -11.77265013
  H     17.58126871      5.99194301    -12.53933271
  H     16.76476120      7.90022226     -9.30505017
  O     18.41515584      7.46984139    -13.07499915
  H     17.70218627      4.49745806    -12.17187995
  H     13.50415063     10.50752738    -16.26895724
  O     17.23277099      8.70390794     -9.01727157
  H     16.60593402     11.75242514    -13.40168105
  H     13.10184257      9.08104783    -16.69549706
  O     13.59494430      9.86207911    -16.97902669
  H     16.75707912     11.31562877    -14.90689147
  H     12.36764676      6.78199579    -11.09177520
  O     13.30842342      6.73875139    -10.89005514
  H     16.38044916      6.89980675    -16.46345106
  H     13.63902023      7.63136952    -11.07958926
          69
 Energy    -249.29225423531147     
  O      6.58405084     -4.41596054     -0.37345422
  H      5.66958607     -4.29151622     -0.66181601
  H      4.49270229     -1.34281240      1.54740041
  O      3.55265504     -4.76175680      2.73646240
  H      6.52010198     -4.77594110      0.52047972
  H      4.35726759      1.59248733      3.87252037
  O      3.91046466     -3.75388455     -0.78476669
  H      2.93041512     -4.94503830      2.02359825
  H      5.74771878      2.01572566      4.41503672
  O      7.97885332     -2.10061888     -0.23631245
  H      3.20528778     -3.98119012      3.18736096
  H      6.46989003     -5.90666406      2.84784339
  O      5.37050416      2.24393142      0.94719619
  H      3.15763789     -4.22028792     -0.40362126
  H      5.26555841     -5.00448966      2.50121184
  O      3.15006509     -1.87996170     -2.69330137
  H      4.07154663     -2.97920112     -0.22284667
  H      1.45927744     -2.28229117      2.16002154
  O      2.64659098      1.54697624     -1.97211586
  H      7.49613069     -2.93784856     -0.36048819
  H      1.11506671     -1.72217137      0.73765511
  O      5.02873365     -1.19594168      3.26758496
  H      8.87884677     -2.26169768     -0.50816294
  H      2.21845218      1.55451307      3.16805723
  O      1.88963729     -0.49353899     -0.35521536
  H      5.44285422      1.99844273      1.87739952
  H      2.14158061      0.86770619      4.54568150
  O      1.38782484      1.58241292      1.51671119
  H      5.78462196      1.54018578      0.43184499
  H     -0.25136683     -0.95966321      2.32470919
  O      2.54554970     -2.28691723      3.64620281
  H      3.46018108     -2.65138810     -2.19841624
  H     -0.00425895      0.56039236      2.39412013
  O      4.28850593     -1.37455890      0.60497848
  H      2.46725822     -1.49290072     -2.13692738
  H      0.95449869     -5.41747883      0.34963907
  O      5.31734212      1.54883676      3.70411890
  H      2.83979829      2.27386067     -1.36560972
  H      1.25598649     -3.98536427      0.84819710
  O      6.21937434     -5.13083273      2.35325977
  H      3.47963852      1.27996064     -2.37667141
  H      0.35527095     -0.37831421      4.40122513
  O      0.83062934     -2.34346823      1.42351991
  H      5.87729533     -1.64042183      3.11978331
  H      0.40789678     -0.53804557      5.93999041
  O      2.65615783      1.49675886      4.02834969
  H      5.20549982     -0.26789904      3.46191916
  H      4.33095040     -0.61909103     -3.02042344
  O     -0.44133543     -0.17169587      2.84870827
  H      2.04422635      0.24238255     -0.96847926
  H      5.17849013      0.21955812     -4.00442340
  O      1.66583545     -4.82280962      0.57280237
  H      2.75576473     -0.77385584     -0.01555727
  H      5.94416873      0.11483852     -1.53615957
  O      0.95321046     -0.51282272      5.15867713
  H      1.53430988      0.83116863      0.92744889
  H      6.94326971     -0.61470229     -0.56688761
  O      4.93667981      0.14089436     -3.08524010
  H      1.84010692      2.32465661      1.09615357
  H      7.60386094     -2.30465472      1.68611191
  O      6.28095072      0.08688982     -0.63010024
  H      2.03291234     -1.77786406      4.28472779
  H      7.00890858     -3.43554264      2.55111567
  O      7.30231803     -2.51459942      2.57695027
  H      3.42198588     -1.87575638      3.59632139
  H      3.92538437      3.01138152      0.43650372
  O      3.07752207      3.39004063      0.13839936
  H      4.96989934     -0.85495209      0.15765278
  H      3.17959235      4.33757081      0.14483100
          69
 Energy    -249.29194811643418     
  O      3.24029006     -1.04588212      5.56088603
  H      2.90629996     -0.13808209      5.56534261
  H      0.69674619      3.28202370      1.16173269
  O     -0.80112361     -4.84049485      3.62835836
  H      3.51868020     -1.25398640      4.65850599
  H      0.05380911      1.87059495      3.21281214
  O      2.96603667     -4.84914135      6.47260534
  H     -0.47021670     -4.96463165      4.53136922
  H     -0.42260229      0.44561056      3.60042138
  O      3.84312365     -1.60162248      2.93937262
  H     -1.53616052     -4.22359665      3.69661489
  H      3.14444520      0.63715401      0.82075241
  O      3.49031790     -4.29533958      3.80490232
  H      3.23818855     -4.68956000      5.55497100
  H      1.95100071     -0.32993619      0.67939196
  O      3.68364783     -2.37974974      7.86769383
  H      3.27602377     -4.09920241      6.98874111
  H     -1.22325934      1.35347190      5.48382836
  O      0.76605593      0.90412813      7.90850029
  H      4.29508965     -0.83690775      2.56268328
  H     -2.21806160      1.99643185      6.47560497
  O      1.28808068     -1.66888856      9.11171207
  H      3.03250984     -1.72347989      2.42462995
  H      2.59252820      2.76353994      2.85172135
  O     -0.86257527     -3.38407052      8.26755350
  H      2.77864554     -4.53499998      3.19935859
  H      3.06685310      2.27504057      4.23087919
  O      1.50519856     -1.98702870      1.43502831
  H      3.80547733     -3.43601068      3.50156189
  H      1.56931114     -1.82772971      5.46913156
  O      4.77197860      0.80627896      1.84306801
  H      4.59615744     -2.32465700      8.14081393
  H      0.65100597     -3.09189253      5.57219836
  O      0.96351379      2.62544584      1.79950304
  H      3.60993276     -1.88078356      7.03465463
  H      1.31330831     -5.52399696      1.41373543
  O     -0.27658615      1.33797694      3.94745608
  H      0.85965630      0.03239580      8.31039596
  H      0.53752099     -4.78550110      2.52793532
  O      2.22368814      0.58576807      0.53569263
  H     -0.12586519      0.95438015      7.54545517
  H     -0.94085469     -1.73423601      6.07517441
  O     -1.66420086      1.23124607      6.34114379
  H      1.43463615     -1.64791154     10.05579581
  H     -1.95343145     -0.61135011      6.39256774
  O      3.38510237      2.57368252      3.36836851
  H      2.12384007     -1.95574102      8.71175896
  H     -3.74722553     -2.89543729      3.97467862
  O      0.66929200     -2.14997614      5.35454741
  H     -0.14316924     -2.83107389      8.59760370
  H     -2.59269872     -2.37318330      4.85916366
  O      1.31905778     -4.73458133      1.94876164
  H     -1.42433987     -2.79037637      7.75387458
  H     -0.14474621     -4.47279995      6.97144328
  O     -1.86730181     -1.56876705      6.31444102
  H      1.47660729     -2.95234840      1.45895636
  H      1.20942244     -4.96435083      6.34323626
  O     -2.80485138     -2.74976538      3.98859317
  H      0.72412856     -1.68984415      1.92357732
  H      1.28067007      1.37842428      4.97713359
  O      0.27167079     -4.79750135      6.16137154
  H      4.35593860      1.46459688      2.42834592
  H      1.71493644      1.35646676      6.46072988
  O      2.05279773      1.43381595      5.55595994
  H      5.60985763      1.16899349      1.56943914
  H     -1.43398417     -1.70454441      3.15908066
  O     -0.57548775     -1.27053821      3.10154593
  H      1.35595814      1.88886705      1.29603816
  H     -0.05781922     -1.62219235      3.84583642
          69
 Energy    -249.29169008547288     
  O     16.68429997      9.80763215    -11.89760035
  H     16.52094627     10.75766646    -11.85027225
  H     13.75942068      9.30614865     -7.10369629
  O     16.57565286     12.52428312    -11.28968727
  H     15.93270553      9.35748343    -12.30849196
  H     17.55468621      4.39555357    -12.59296522
  O     13.57645652      6.37457290     -7.80861406
  H     16.72938735     13.32620546    -11.78196374
  H     18.79627049      3.49142079    -12.41884056
  O     14.68503436      8.18526528    -12.89805381
  H     17.35446600     12.38831939    -10.71745874
  H     16.87771875      6.03564549     -9.49871820
  O     19.07087251      8.50035018    -11.59042884
  H     14.44407897      6.16354730     -8.18045934
  H     15.87655783      7.18680487     -9.32680330
  O     20.39505534      9.85839461     -9.49643853
  H     13.71356181      7.12136395     -7.21473347
  H     19.00813812      7.44266220    -13.09994209
  O     18.60760285      6.17266930    -10.07560041
  H     14.55090150      7.38707405    -12.36652039
  H     18.81912303      5.93449437    -13.33444763
  O     11.95988470      6.48555112     -9.99300896
  H     15.15442768      7.88671223    -13.68823092
  H     17.10190522     10.91174059     -6.92028367
  O     14.99202013     12.41278861     -8.88600381
  H     19.61563950      9.01559558    -10.98505695
  H     17.40826173     12.26668605     -6.24397363
  O     12.64812540      9.07233344    -10.99941311
  H     18.25534632      9.00252021    -11.73911275
  H     16.39765660      7.11291836    -15.84206613
  O     13.49951091     10.14482940     -8.63324535
  H     20.02044448      9.21000734     -8.87325796
  H     17.22317584      7.01654679    -14.53856431
  O     14.01579391      8.78913251     -6.31873229
  H     21.33378769      9.88809449     -9.33110205
  H     16.23342905      9.28271517    -10.24442780
  O     18.46340206      4.36745487    -12.24317824
  H     18.73914687      6.98223481    -10.59075100
  H     15.04983969      9.35361066     -9.22716857
  O     15.95467868      6.22039810     -9.28729317
  H     18.63940306      5.45174123    -10.71710846
  H     19.24359473     11.33109544     -9.56553605
  O     18.78545097      6.79037071    -13.77817774
  H     12.46876792      6.44534862     -9.16321527
  H     18.19279897     12.01892956     -8.66816758
  O     17.19511067     11.86434867     -7.08238232
  H     11.12187390      6.06388836     -9.82426677
  H     13.39818320      5.91216118    -11.05724775
  O     16.31679205      7.04100853    -14.89475756
  H     15.70028562     12.31992885     -8.23729525
  H     14.90245935      5.87794069    -10.69815786
  O     15.90776167      8.94559147     -9.40215495
  H     15.42696235     12.51275457     -9.74138703
  H     19.00827246      7.23084516     -8.47756406
  O     18.58211758     12.03319329     -9.55168726
  H     12.32288958      8.20690789    -10.71746551
  H     18.45389069      8.22355997     -7.41350579
  O     14.27919607      5.82089744    -11.43786306
  H     13.23736913      8.90910713    -11.74406289
  H     15.96753651      8.93312867     -6.44122772
  O     19.24008868      7.98189669     -7.91667403
  H     13.08982764      9.87673871     -9.46916721
  H     16.62049121      9.08025800     -7.81740122
  O     16.81014237      9.13333830     -6.86492998
  H     13.89565182     11.02325280     -8.73988438
  H     16.01883217      5.36052954    -13.96079020
  O     15.97819416      4.65094987    -13.30874037
  H     13.42965826      9.05484558     -5.61457816
  H     15.29867006      4.92117342    -12.67564379
          69
 Energy    -249.29160381524161     
  O     16.31219352     11.75973246    -12.14292749
  H     16.12380918     12.14272956    -11.27714193
  H     12.83419189     12.08607843    -10.15867834
  O     17.59285490      7.30908012     -8.22542201
  H     16.99222940     11.09736308    -11.97466006
  H     15.18473366      8.87845987    -15.66737486
  O     16.15670469      5.88661966    -11.29179894
  H     18.13777075      7.14032615     -9.00277063
  H     15.03586732      8.62006326    -14.14840949
  O     12.92827078      4.92663458     -9.75986700
  H     17.38358893      8.25218988     -8.25197489
  H     19.40962803      6.24892797    -11.13436465
  O     17.77816104      9.50209930    -11.21694986
  H     15.79613711      6.05508657    -10.41011638
  H     17.87257334      6.40284753    -11.08272800
  O     15.87091311     12.58669042     -9.42157526
  H     15.44805886      5.46892197    -11.80431426
  H     15.96578501      6.50862096     -8.41629881
  O     10.13546494      9.42729059     -9.46177416
  H     13.68622866      5.34628087     -9.32025086
  H     14.59233830      7.17932870     -8.57332528
  O     16.56592378      9.94992245     -8.74517757
  H     12.75869849      4.11286488     -9.29143716
  H     11.37725790     11.15916229    -11.98746129
  O     13.37905529      8.92046621    -11.13822489
  H     18.27447923      8.67791467    -11.14930202
  H     12.81740382     11.50741693    -12.53252729
  O     11.36386258      7.14013635    -10.51303281
  H     17.38403330      9.65709703    -10.34474661
  H     10.54456520      7.46977304    -12.13062907
  O     12.59175539      6.86009190    -14.45223918
  H     16.10899173     13.45507708     -9.10847503
  H     11.06070992      7.57666014    -13.56874343
  O     13.20020611     12.30905988     -9.29030046
  H     14.90121113     12.51823781     -9.34841592
  H      8.89887832     10.67024735    -12.57827226
  O     14.53987063      8.79338267    -14.96891090
  H     10.45637285      8.54730811     -9.70342456
  H      9.89436394      9.48657450    -12.54927289
  O     18.71230170      6.83691807    -10.85552945
  H      9.89553216      9.85096888    -10.29332396
  H     11.36291362     10.59804205     -6.79403053
  O     15.06291587      6.34656874     -8.72654664
  H     15.68283968      9.58625329     -8.58950521
  H     11.17824259     10.10323465     -8.24777383
  O     12.27729365     11.39501124    -11.73422274
  H     16.43591010     10.89895952     -8.87270332
  H     13.36268302      5.67813001    -13.08430773
  O     10.33869718      7.85515483    -12.99441555
  H     13.01572845      9.78939263    -11.35855914
  H     13.36721425      5.00187191    -11.68587901
  O      9.70784266     10.36644904    -12.17580403
  H     14.16419415      8.77426863    -11.67719234
  H     14.88947056     11.57546200    -13.26965196
  O     11.83327720     10.43341705     -7.60652423
  H     12.08728350      7.73147882    -10.77838657
  H     14.17109434     10.61933863    -14.25896518
  O     13.86280060      5.08813343    -12.50936285
  H     11.77393106      6.33725203    -10.17555615
  H     13.79515285      8.94299227     -9.42635134
  O     14.06643054     11.43713632    -13.76479081
  H     13.22389614      7.56043204    -14.67563459
  H     13.30423433      9.35875489     -8.02062651
  O     13.99853991      8.87356793     -8.48030821
  H     12.41186397      6.39004582    -15.26463511
  H     16.39546506      8.84873081    -12.18364433
  O     15.70317362      8.30520917    -12.58257175
  H     12.72918077     11.76192416     -8.65260633
  H     15.81483335      7.41844383    -12.21711990
          69
 Energy    -249.29150877029682     
  O     16.22495948     10.34378631    -16.06114126
  H     17.13459401     10.12070197    -16.33263998
  H     16.55590730     13.65550505    -15.67509205
  O     17.99351728     14.85806524    -16.19041849
  H     15.64231065      9.94058293    -16.69931811
  H     19.15898685     10.71096367    -16.79594153
  O     20.39692891      8.81950811    -14.65206333
  H     18.51423296     15.17322773    -15.43218794
  H     19.35260851      9.37961242    -16.04291452
  O     19.05649924     13.38086124    -10.00095086
  H     17.87712754     15.60609091    -16.77106552
  H     17.06287287     10.93258342     -8.44100725
  O     15.10732653     13.62330767    -12.78813248
  H     20.91400075      9.53220479    -14.25451549
  H     18.03037963     10.59887310     -9.60113391
  O     19.29410496      9.60399533    -10.21496483
  H     19.93217153      8.40245737    -13.91726002
  H     22.19596766     16.01862703    -12.50578800
  O     15.60916444     11.09651425    -11.55312425
  H     18.46905640     12.72492104     -9.60592304
  H     21.20631219     16.17092606    -11.33694072
  O     19.52098799     12.49297714    -16.24906317
  H     18.63777073     13.64181091    -10.83509133
  H     20.46143964     12.20481672    -10.44478743
  O     21.50360786     13.63461597    -14.65662802
  H     15.30558923     13.42466627    -13.72220170
  H     22.00037187     12.19348163    -10.52026540
  O     20.95782484     15.34712540     -9.63745768
  H     14.31324040     14.15003764    -12.77948913
  H     16.47665237      9.75059982    -14.30901557
  O     21.38469492     11.11723890    -13.32917748
  H     19.21258097      9.00336962    -10.96511110
  H     16.30737426     10.05173938    -12.77255599
  O     15.85247345     13.09632583    -15.32596415
  H     20.09929098     10.12153236    -10.34362413
  H     22.90230652     14.30546678    -13.73954565
  O     18.79038940      9.82426415    -16.69468298
  H     16.15627903     11.22598942    -10.76901904
  H     24.32880642     14.87687822    -13.59354144
  O     17.37493310     11.24860426     -9.28500905
  H     15.37151421     11.97145143    -11.88283461
  H     18.87520445     14.99680004    -13.34778393
  O     21.37397691     16.45185211    -12.24533810
  H     19.16952057     12.16821704    -15.40451442
  H     20.08614109     15.97349039    -13.38804211
  O     21.21811093     11.63338888    -10.63052687
  H     19.01850755     13.29224471    -16.44681574
  H     23.34507823     13.96107807    -11.36618168
  O     16.82691242      9.56212402    -13.43027988
  H     20.84591880     14.27169318    -14.34264710
  H     22.49277927     14.27335703    -10.12339267
  O     23.51399133     14.73318671    -13.11822410
  H     21.06656710     13.18346928    -15.39021695
  H     18.47321567      7.02661177    -12.37028033
  O     19.47270183     15.47200591    -13.94457683
  H     20.25594543     14.67747621     -9.68734994
  H     18.02385834      8.43837109    -12.81579236
  O     23.10276781     13.62369633    -10.49519064
  H     20.85635160     15.78693514     -8.79678246
  H     19.58505706     11.36446726    -13.49120111
  O     18.77246490      7.92832077    -12.45931057
  H     21.57732701     11.97114232    -13.73495670
  H     18.09620895     10.90960439    -13.60426693
  O     18.68737411     11.66707170    -13.68324137
  H     21.41433836     11.24531750    -12.37014843
  H     16.88876999     13.94187530    -12.44422923
  O     17.85104403     13.90548327    -12.39637061
  H     16.01841333     12.19507996    -15.62857735
  H     18.12577660     13.09317606    -12.85365347
          69
 Energy    -249.29135164810776     
  O     15.17655174     10.44745877    -10.92742230
  H     15.15004343     10.82331548    -11.81866322
  H     15.70930131      4.60043267    -10.25890231
  O     13.36166826     10.17596635    -16.74445298
  H     16.03839765     10.63019849    -10.53278445
  H     13.68284184      9.78614164    -10.12964703
  O     17.40840841      9.96368494    -14.45275361
  H     13.66390650     11.06048486    -16.50252875
  H     12.44656395      8.93637576    -10.50309459
  O     12.70357453      5.80079350    -12.29025603
  H     13.17694039      9.71947134    -15.91352557
  H     15.52706485     12.21325982    -16.30796743
  O     16.93977120      8.18708805     -8.39818414
  H     16.58253235     10.32841446    -14.10874596
  H     14.67059779     13.49808031    -16.18570377
  O     16.89702286     11.28856968    -16.86963070
  H     18.00752595      9.87274476    -13.69889585
  H     13.73994269      8.10481995    -14.24421319
  O     15.70888900      7.79168204    -11.64775351
  H     13.36945426      5.86234838    -12.98571970
  H     12.57583837      8.79480900    -13.49614087
  O     14.94244382     11.04164295    -13.59679747
  H     13.19465969      5.68028594    -11.46483804
  H     15.26506724      8.87284996    -18.96631637
  O     18.36955152      6.86594617    -11.68448013
  H     16.01613327      8.00002384     -8.19178898
  H     14.67468346      9.43818453    -17.65311739
  O     18.85972767      9.57759266    -12.15523857
  H     17.36764034      7.33785616     -8.55990378
  H     11.87507086      7.32919020    -12.11379733
  O     17.01593960      4.82456736    -13.19541490
  H     17.27074453     10.87852682    -16.07634402
  H     10.58674408      8.18613895    -12.06529304
  O     16.53516317      4.12290945    -10.42790601
  H     16.55273552     10.56179667    -17.40345816
  H     13.70165481      7.70463519     -7.08867691
  O     12.97269368      9.24384510     -9.75669280
  H     16.66103295      7.64104920    -11.59525692
  H     13.68489633      8.24686501     -8.53842627
  O     14.70849588     12.58168389    -15.92749014
  H     15.52917213      8.70280482    -11.38807226
  H     14.23768224      6.30848432     -9.23818432
  O     13.22816965      8.92052229    -14.19731404
  H     14.82969247     11.69935020    -14.29393157
  H     14.87373440      6.56643383    -10.61245898
  O     15.48586495      9.09091036    -18.06505785
  H     14.33048043     10.31753304    -13.79381317
  H     17.65064698      5.08954990     -9.49953204
  O     11.53907282      8.24155738    -12.05304238
  H     18.46570407      6.49983649    -10.79551510
  H     18.88364664      5.25762148     -8.57812582
  O     14.15422228      7.65071691     -7.92572023
  H     18.05730960      6.15095904    -12.25218404
  H     15.16725448      7.06859842    -13.14108573
  O     14.42164293      5.88824579    -10.08606058
  H     18.54230278      9.94572251    -11.32262796
  H     15.45689665      6.92208513    -14.67779192
  O     18.25325036      5.74388479     -9.10274833
  H     18.86648613      8.61866463    -12.03148191
  H     18.10239028     11.04711820     -9.06329581
  O     14.91609483      6.58096362    -13.94428358
  H     16.25238818      5.32902527    -13.51219898
  H     17.44780572      9.65065910     -9.18809607
  O     17.67954996     10.45790183     -9.68238872
  H     17.38679032      4.39411461    -13.96319968
  H     16.89479554      8.43664022    -15.32509904
  O     16.47176687      7.70408819    -15.79645774
  H     16.68198878      4.17934957    -11.37908157
  H     16.16934171      8.06693321    -16.63730919
          69
 Ord_Energy   -249.290909    
 O    3.02144575      -5.05177593     -0.277390838    
 H    3.36479878      -5.37647247      -1.11959779    
 H    3.77370620      -4.88451004      0.306404978    
 O  -0.688571095      -4.18581533      -2.33177781    
 H   -1.46697092      -4.70300388      -2.52243185    
 H  -0.385103762      -4.45597887      -1.44659376    
 O    5.40181589      -1.06964087      -2.91338611    
 H    5.37083006     -0.118326932      -3.08087373    
 H    5.76112318      -1.15954435      -2.02001619    
 O    6.05952454      -3.88624191      -2.70288515    
 H    5.30202675      -4.46897125      -2.83853054    
 H    5.80594206      -3.00486112      -2.99915504    
 O    5.09190750      -4.20143318       1.38004875    
 H    4.88325787      -3.26113844       1.45336080    
 H    5.91756153      -4.24014044      0.879573226    
 O    7.33485270      -3.95032859     -0.330100626    
 H    6.91093922      -3.99101639      -1.20753670    
 H    8.19350243      -4.35466528     -0.417466283    
 O    2.48590064       1.74719548      -2.48399591    
 H    1.84670985       1.26869166      -3.02308345    
 H    2.17718792       1.67493296      -1.56872666    
 O    1.76231658      -4.38071108      -3.76658964    
 H   0.900488019      -4.34947634      -3.33519006    
 H    2.10400271      -3.47449350      -3.75884604    
 O    5.10381317       1.71817958      -2.99391198    
 H    5.30568123       2.41943121      -3.60659480    
 H    4.14424276       1.76138353      -2.81931424    
 O    2.61327267      -2.31212163     -0.699373782    
 H    2.64552999      -2.11001015      -1.64263046    
 H    2.68059850      -3.27083874     -0.602216363    
 O   0.255328596      -4.90837002       9.76628065E-02
 H   0.130982876      -4.37197638      0.888896763    
 H    1.20341516      -5.08945751       3.53987515E-02
 O  -0.681838334      -1.34697998      -2.16663790    
 H  -0.732062280      -2.30587697      -2.26502895    
 H  -0.473611265      -1.18577790      -1.23749173    
 O    4.20560455      -1.45458221       1.33057904    
 H    3.62819648      -1.65837836      0.575876594    
 H    4.12912178     -0.512248933       1.53065097    
 O    6.49779320      -1.24862754     -0.308357984    
 H    6.94527102      -2.10210443     -0.269493610    
 H    5.74397898      -1.31107283      0.293474019    
 O    2.79323149      -1.84043229      -3.42822385    
 H    3.69374943      -1.49879813      -3.34673095    
 H    2.20157576      -1.12246454      -3.68625951    
 O    2.75950837      -3.22875309       3.01718068    
 H    3.37259674      -3.94687152       2.83982038    
 H    3.16725492      -2.45705891       2.60214496    
 O    1.67144942       1.36973512      0.120729551    
 H    1.15633619      0.578585625      0.323798209    
 H    2.42937922       1.36912799      0.715841353    
 O    5.97123766       1.52582800     -0.292892665    
 H    6.38303518      0.651926577     -0.303176105    
 H    5.70400858       1.69994938      -1.20416176    
 O   0.782201707       3.84217389E-02  -3.95604038    
 H   0.201709032     -0.420441031      -3.32128477    
 H   0.253131181      0.227558523      -4.72575092    
 O    4.10482264       1.29004467       1.65365636    
 H    4.76525927       1.47514892      0.961407721    
 H    4.27080727       1.90244877       2.36529207    
 O    9.34113413E-02  -3.19056153       2.38651800    
 H  -0.439920098      -3.29754353       3.17000222    
 H    1.02170718      -3.23120594       2.67340517    
 O    3.89277816      -5.72021198      -2.86326981    
 H    3.10618949      -5.28962421      -3.24684000    
 H    3.98554492      -6.56374979      -3.29755116    
 O   0.386695981      -1.13853729      0.433628350    
 H    1.14001822      -1.56629658      -3.57959000E-03
 H   0.135747835      -1.72859335       1.15220857    
          69
 Energy    -249.29080541766504     
  O     16.32907596      9.82078494    -16.02752124
  H     15.82403380      9.30589126    -16.65303357
  H     18.55286277     10.35808703     -9.70436467
  O     20.58588286      9.17086393    -15.01029069
  H     17.22498711      9.90026676    -16.39386392
  H     20.77045858     16.37560453    -11.43842359
  O     19.08796057     13.31338613     -9.99066968
  H     20.29982583      8.62952089    -14.26556880
  H     21.62800108     16.38943849    -12.71685842
  O     14.82631933     12.94454046    -12.48291788
  H     20.97075694      9.96972287    -14.62085057
  H     20.56172882     12.39398536    -10.72017833
  O     19.89003635      9.59763826    -10.48425211
  H     18.66447331     12.54480966     -9.58941768
  H     22.07395262     12.56934332    -10.97937898
  O     15.90664301     10.52672245    -11.40807703
  H     18.51740003     13.56582389    -10.73258540
  H     16.74400922      9.33519457    -14.25693154
  O     18.94106939      9.90722376    -17.00948906
  H     13.96385983     13.33448237    -12.36994916
  H     16.63511569      9.61707313    -12.70657958
  O     21.10609227     14.03217627    -15.01015896
  H     14.90892854     12.71489242    -13.42620982
  H     19.60075441     11.77580137    -17.08501717
  O     20.81280415     15.46642254     -9.75304281
  H     19.84443152      9.00560178    -11.24324471
  H     18.97510079     13.13949989    -16.79195355
  O     21.23013939     11.54478683    -13.76667283
  H     20.55579103     10.26931393    -10.68419797
  H     22.43071909     14.86071826    -14.13677652
  O     15.22930385     12.33336434    -15.09844194
  H     16.49738734     10.72357512    -10.67098875
  H     23.74709652     15.66434974    -14.07394920
  O     17.83791309     10.88303162     -9.29872872
  H     15.48811020     11.35592539    -11.66878629
  H     19.50631918     16.00830932    -13.38168330
  O     20.79696798     16.70865249    -12.34384700
  H     19.26361242      9.49878498    -17.80955969
  H     18.39424132     14.94214565    -13.23134241
  O     21.34617041     11.93381049    -11.04559309
  H     19.53261643      9.61308539    -16.29262963
  H     22.40335284     14.63592557    -10.48170500
  O     17.18316684      9.22516359    -13.40600171
  H     20.79471531     13.60665634    -15.82218789
  H     23.13713229     14.48744095    -11.82861362
  O     19.80172193     12.71702738    -17.06586490
  H     20.34940155     14.50088563    -14.62943416
  H     19.27851095      6.96456618    -12.59311438
  O     23.02907219     15.33724684    -13.53760676
  H     20.74691878     15.88197350     -8.89655367
  H     18.59504674      8.30244734    -12.96819741
  O     18.92402496     15.41998837    -13.88420792
  H     20.18065481     14.72942820     -9.75280191
  H     19.41424825     11.62313547    -13.78762166
  O     23.03685263     14.08374842    -10.95739085
  H     21.31391776     12.41248530    -14.18294333
  H     18.06130927     10.86986278    -13.62632559
  O     19.44802781      7.89212832    -12.73845456
  H     21.34831580     11.66036142    -12.81359951
  H     17.93207901     14.46820467    -15.19933348
  O     18.45535936     11.73648725    -13.77282424
  H     15.50038994     11.46688977    -15.42074369
  H     17.89132966     12.93463989    -15.06645727
  O     17.60117327     13.67002580    -15.63108653
  H     15.92034902     12.94150240    -15.39851033
  H     16.54078405     13.63318205    -12.18698302
  O     17.49907087     13.73604223    -12.16529246
  H     17.66118658     10.49080699     -8.44741402
  H     17.85741688     12.98923630    -12.67207866
          69
 Energy    -249.29064255799190     
  O     17.29378178     10.26535082    -14.96556917
  H     17.57684505     11.18220745    -15.06092563
  H     13.74933426     10.77878703    -10.13524361
  O     18.07057982     12.95416771    -14.69793042
  H     17.00853485     10.17303516    -14.04049642
  H     18.51449207      5.14682408    -14.68327224
  O     13.52223307      8.83874506    -10.21151325
  H     18.21038684     13.70924989    -15.26320919
  H     18.20630609      5.34182417    -13.18413227
  O     15.11323762      8.67368834    -15.67386471
  H     17.42988095     13.23082048    -14.01760822
  H     15.06100439      7.94090742    -10.83726037
  O     19.17673359      8.32755858    -14.38899263
  H     12.92866625      8.48768325     -9.55165706
  H     15.31215052      7.21787737    -12.19112711
  O     21.15332045      9.66281428    -13.03368872
  H     13.07634198      8.72912046    -11.07092889
  H     18.04465234      6.31455891    -16.50129079
  O     18.37007637      6.85645213    -12.07419108
  H     15.87183722      9.25825501    -15.53741498
  H     19.46904875      5.94463304    -16.98077319
  O     12.47734458      8.38513465    -12.69484879
  H     14.31942954      9.20721461    -15.54042340
  H     15.85859537      7.18154016    -16.55784971
  O     16.23656076     13.57537261    -12.79067974
  H     19.18349154      7.63140922    -15.05802665
  H     15.94927649      5.66631239    -16.26114061
  O     12.90017205     10.24595391    -14.87895103
  H     18.55244074      9.00648039    -14.68067053
  H     17.11292397     10.45472636    -11.79674113
  O     14.23308971     11.60842970    -12.96694155
  H     20.51047269      9.15823351    -13.55969776
  H     16.22624720      9.19801435    -12.05147301
  O     13.72929527     11.73090007    -10.29270775
  H     22.02073681      9.38571761    -13.31790472
  H     19.39093598     12.44125584    -13.39918306
  O     18.06156131      4.74624761    -13.93148831
  H     18.56129784      7.42290365    -12.83520516
  H     20.39998720     11.39706381    -12.84638902
  O     15.75289950      7.58853747    -11.41076605
  H     17.47836100      7.07026629    -11.76523203
  H     18.78805580     10.33567428    -10.43536912
  O     18.97514542      6.24096781    -16.22131018
  H     12.44808788      9.04050851    -13.40041085
  H     18.87737570     11.63482267    -11.27887052
  O     16.33221804      6.37368728    -16.79515617
  H     13.03852268      7.67591810    -13.03822294
  H     14.76002521      5.88915693    -14.05882521
  O     16.47176394     10.06226475    -12.40358516
  H     16.34236863     13.51112361    -11.83482455
  H     14.76039423      7.40781738    -14.39212074
  O     19.89353896     12.18698776    -12.61659530
  H     15.44639579     13.05419257    -12.98516561
  H     20.39986343      9.11734319    -11.30193560
  O     18.32116333     11.15694680    -10.64328596
  H     12.25246361     10.78300953    -15.32766197
  H     19.36428355      8.04959190    -10.92662915
  O     14.51106499      6.75734948    -13.72013032
  H     13.34702517     10.82235089    -14.23299384
  H     17.07275746     12.26664695    -10.08905751
  O     19.80298424      8.84287887    -10.59502228
  H     15.01376893     11.05452460    -12.81510339
  H     16.61352635     13.47207085     -9.24099112
  O     16.34907727     12.90331066     -9.96012661
  H     13.85716666     11.75428770    -12.08612866
  H     15.29010241      3.50339762    -14.88371194
  O     15.53325388      4.42382897    -14.84209512
  H     14.60187014     12.07675851    -10.06374937
  H     16.43064087      4.46417283    -14.46383038
          69
 Energy    -249.29054352669584     
  O     15.78534132     11.87499609    -15.50178404
  H     15.83296585     11.65253343    -16.44002439
  H     14.03291975      5.79482648    -17.48015057
  O     12.61409047      6.47467114    -14.53731433
  H     16.69957700     11.92942018    -15.19884852
  H     17.39636055      9.81559276    -17.83372600
  O     18.99304626      7.65135406    -13.16962144
  H     11.77592359      6.03350614    -14.43012897
  H     17.19762370      8.77706425    -16.72763115
  O     17.18770434      6.48392714    -18.42019164
  H     13.06501257      6.04683607    -15.28966879
  H     16.40302558      8.83367126    -14.65637852
  O     14.56999927      6.61262927    -19.12390484
  H     18.42382012      6.88494539    -13.31890988
  H     15.14727231      8.54418620    -15.53071159
  O     16.04935252      8.77621197     -9.57625373
  H     19.07779127      7.71193542    -12.20515158
  H     14.43715677     11.46100886    -14.47481701
  O     14.60436772      6.73647559    -12.54593948
  H     17.16347719      6.02029597    -17.57186052
  H     13.09421516     11.94754594    -13.88416752
  O     17.16037517      9.68421161    -13.17502638
  H     17.54830401      7.35991298    -18.23010041
  H     17.87141756      4.13703016     -9.84309619
  O     16.64008909      5.63891918    -15.79015129
  H     14.43101079      6.20789350    -19.97602544
  H     16.80096683      5.22211200    -10.11746997
  O     15.26833293      6.04829674     -9.89182779
  H     15.52567823      6.55849899    -18.94208840
  H     13.31036219      9.70008665    -15.00286140
  O     19.68873218      9.47767678    -15.34474757
  H     15.54360647      9.10389300    -10.33715739
  H     12.97220602      8.17897539    -15.19394312
  O     13.97941986      5.42524429    -16.59120732
  H     15.95268264      9.42754929     -8.88538130
  H     16.25519429      5.95177759    -12.93121660
  O     17.81908742      9.05478973    -17.41935875
  H     13.90599105      6.57940561    -13.19228037
  H     17.38865841      5.17743776    -12.21831362
  O     16.07826231      8.32278372    -15.40732536
  H     14.61880842      7.68763588    -12.37548084
  H     18.43604876      6.68998946    -10.32269329
  O     13.66920357     11.18862514    -13.93887762
  H     17.83087663      8.98854801    -13.11843263
  H     17.83976631      8.09192916    -10.13232785
  O     17.68909537      4.91068657    -10.36896932
  H     17.59001425     10.47180672    -13.52834188
  H     15.96993798     11.68411116    -18.99319664
  O     13.34846362      8.95922656    -15.62043736
  H     16.91075838      5.33924259    -14.91432694
  H     15.30338589     10.46211928    -18.31784880
  O     17.11317256      5.52613659    -13.07409051
  H     16.43323701      6.58072394    -15.67643389
  H     14.25778707     10.09254652    -12.47582969
  O     18.63104093      7.62996891    -10.43110230
  H     15.48561873      6.94544174     -9.60779426
  H     15.69736404      9.58136272    -12.32947346
  O     16.02892494     11.10829000    -18.23579784
  H     14.88949479      6.15016131    -10.77584375
  H     19.09669727     12.41546865    -14.27632178
  O     14.80425587      9.49893607    -11.95040421
  H     19.60352855      8.75609381    -14.70999530
  H     18.97859506     10.99028011    -14.86736145
  O     18.46582573     11.74591345    -14.52543187
  H     19.18579089      9.23340834    -16.13407989
  H     13.67585136      9.18033967    -17.42432714
  O     14.05016614      9.27700145    -18.31024816
  H     14.89598820      5.32148033    -16.29874881
  H     14.18774874      8.38223918    -18.64490429
          69
 Energy    -249.29026953076567     
  O      1.65292105     -0.53792267      1.51249181
  H      1.23105691      0.33455824      1.60004528
  H     -3.26883317     -0.40929479      5.14250768
  O     -3.61836372     -1.08489767     -2.82619920
  H      2.58925395     -0.37829927      1.41866526
  H     -3.44270095      2.80733342      0.12598750
  O      0.74896183     -1.22386156      4.22162129
  H     -2.87515230     -0.56045154     -2.48260047
  H     -3.88042899      4.17503163     -0.45470976
  O     -5.14521486     -1.06703220     -0.40106854
  H     -3.68562067     -0.88981951     -3.75745103
  H     -1.25013646      0.92321020      5.38112198
  O     -2.38018131     -3.38099423     -1.57096050
  H      1.08671417     -1.03776868      3.34038482
  H     -0.26644384      1.99198170      4.88844116
  O     -0.29494414     -1.80599693     -0.15909319
  H      0.46202013     -0.38152404      4.60640539
  H     -1.42194457      3.25627299     -0.46398986
  O     -3.02182201      3.65631751      2.92298100
  H     -4.82775153     -1.07048241     -1.31243169
  H     -0.82658491      1.99074363     -1.12133142
  O     -3.55921580     -2.15245630      5.11041822
  H     -4.77751588     -1.86591555      0.00480121
  H     -4.18709374      0.37774925      0.10455222
  O      0.26845452      1.79212767      1.77902189
  H     -2.79424570     -2.70603258     -2.12234168
  H     -3.10111937      0.82164210      1.13486245
  O     -1.61957688      0.26043643     -1.49304314
  H     -1.55677565     -2.99068036     -1.25525564
  H     -2.30756448      0.41629294      3.34601219
  O     -5.13486533      1.83784288      3.67405332
  H      0.49686610     -1.44331428      0.25605077
  H     -1.21777503      0.79047491      2.28473771
  O     -3.02338215      0.52220503      5.02505626
  H     -0.83324923     -2.11339518      0.58560948
  H     -3.53293345     -3.57803720     -0.12915702
  O     -3.21244336      3.75305298      0.07951466
  H     -3.74323492      3.06074870      3.15758911
  H     -3.21697751     -3.03165960      1.26502299
  O     -0.30664012      1.11113945      5.27638105
  H     -3.09397520      3.81061118      1.97311191
  H     -1.38894904      3.62411764      3.53913936
  O     -0.59481000      2.78421121     -0.62184178
  H     -4.14359988     -2.52451760      4.44024085
  H     -0.20078766      4.44344256      4.09551124
  O     -3.56579023      1.08233486      0.32469578
  H     -2.70666042     -2.59549238      5.01179218
  H     -0.31472741     -2.52642785      4.52450294
  O     -2.03297223      0.29376878      2.42798823
  H      0.15919294      2.46062451      2.46650569
  H     -0.52876413     -3.99027318      4.98065545
  O     -3.95006859     -3.35079476      0.71276262
  H      0.02929102      2.19429537      0.93025148
  H     -1.90382114     -1.45759441      2.23732132
  O     -0.45202160      3.57256429      3.80031665
  H     -1.09993800     -0.43652079     -1.06678795
  H     -1.50133719     -2.81563923      2.88282968
  O     -0.97114997     -3.24636390      4.58236528
  H     -2.26020809      0.57209192     -0.83603916
  H     -4.93954648     -3.30310018      2.21476222
  O     -1.81797135     -2.40819856      2.06851290
  H     -5.41694608      1.07170263      3.14542357
  H     -6.01487155     -3.77504029      3.21650014
  O     -5.37456615     -3.08564031      3.05543932
  H     -5.92664447      2.19657947      4.06831338
  H     -5.81778486     -1.26101385      2.67453644
  O     -5.94805564     -0.38564121      2.28953330
  H     -3.80704070      0.99734403      4.72677620
  H     -5.90164408     -0.51973847      1.33635580
          69
 Energy    -249.28988511346932     
  O     10.48603083     10.84440035    -12.68042299
  H     11.23294601     10.97712529    -13.28579523
  H     16.10522132      5.83419632    -16.63364968
  O     14.12677352      6.22181674    -14.35935933
  H     10.57391289     11.51363811    -12.00516291
  H     18.63092102      6.85783761    -15.42753718
  O     16.11385776     11.54250247    -11.01685062
  H     14.02163204      5.77627461    -13.50503748
  H     19.59751860      5.67088128    -15.20829783
  O     18.16042256      8.22156562    -16.40422489
  H     14.79112334      5.75386476    -14.88348663
  H     15.04432968     12.07870390    -16.65460098
  O     12.23365062      8.10131639    -14.85920668
  H     16.40250562     10.98149434    -10.28378132
  H     15.58813467     10.99657591    -15.69071066
  O     15.15193965      7.63053142     -9.26465312
  H     16.86450647     11.59636238    -11.61945177
  H     15.14504548      7.58072574    -13.77101672
  O     13.87390359      5.34253644    -11.80288730
  H     17.44845990      7.94010244    -16.99390782
  H     15.14738499      8.82359851    -12.81923766
  O     14.08214867      9.98618651    -11.94562641
  H     17.82842157      8.99512095    -15.93193352
  H      9.60891192      7.73710743    -12.51699443
  O     15.96265499      7.23505494    -17.90221462
  H     12.87482209      7.38607751    -14.71755466
  H     10.39427979      9.06877594    -12.56220693
  O     16.41543557      5.39528780    -10.48150011
  H     11.55821599      7.99261267    -14.18028125
  H     18.55952125      8.27933990    -11.56068603
  O     16.92972342     10.23647500    -14.84097336
  H     14.27369033      7.66537452     -9.66163417
  H     18.22961902      9.24874380    -10.40112435
  O     16.17586576      5.23316588    -15.88002972
  H     15.56848899      6.82483703     -9.59624667
  H     18.62703960     10.51528914    -12.20723653
  O     18.78341915      6.05597960    -14.89516832
  H     14.71457307      5.23205494    -11.34384146
  H     19.19583108     11.86727270    -12.69810317
  O     14.78421905     11.32876792    -16.12619405
  H     13.47329616      6.14406028    -11.43877157
  H     17.03327752      7.34881540    -12.70747208
  O     15.69946598      8.27673065    -13.39333519
  H     13.63645221     10.37598970    -12.70800798
  H     18.21254036      6.47198752    -13.19397445
  O     10.48884504      8.10096771    -12.57774455
  H     14.73528217     10.61775802    -11.61065661
  H     17.11843006      9.78792092     -8.14973286
  O     18.79397108      9.13373706    -11.17665208
  H     15.19342410      7.76400035    -17.62713764
  H     16.27463770      8.94063683     -9.12712659
  O     18.42642053     11.30595182    -12.74124821
  H     15.85743528      7.06798636    -18.83519007
  H     14.14345273      9.67781684    -16.85563618
  O     17.77612253      6.80483717    -12.40010744
  H     16.95943069      5.83874955    -11.15388040
  H     13.20898920      8.51069033    -16.46819166
  O     16.94625091      9.64388199     -9.07644580
  H     16.93437644      4.67249318    -10.13847165
  H     13.24686646      8.60237565    -11.20135629
  O     13.88217862      8.78285969    -17.10322106
  H     17.48651177     10.68222599    -14.19034156
  H     11.94522243      7.79841412    -11.33319410
  O     12.79785140      7.80286812    -10.88437602
  H     16.49070855      9.50657398    -14.37516828
  H     13.39719194     11.10652959    -14.89736585
  O     12.75368604     10.75744849    -14.27044406
  H     17.05513473      5.37577346    -15.51201541
  H     12.59438881      9.83287226    -14.51920762
          69
 Energy    -249.28988312595544     
  O     11.13347114      8.65532327     -9.13276997
  H     11.55727554      9.00763400     -8.34040850
  H     10.56726165     10.66552745    -11.69077580
  O     13.38046579      9.50317026    -17.15020829
  H     10.88869678      9.42650676     -9.66172361
  H     12.41063645     12.74343952    -13.66331702
  O     12.15452321      6.84927403    -10.84641203
  H     13.79843126      9.54283133    -18.00587932
  H     12.94611378     11.43474240    -14.33709590
  O     14.09343614      9.93167998    -14.46476981
  H     12.67274148     10.17321934    -17.14928770
  H     16.19606480      8.65061727    -10.91738985
  O     12.61551058     12.50112896     -7.85288394
  H     11.74769459      7.45388536    -10.19787307
  H     17.66771975      8.42049003    -11.33312070
  O     11.34251509     11.27757295    -16.86908719
  H     11.81925187      5.97685347    -10.65988154
  H     13.72180291     13.91018753    -12.07399146
  O     12.22080228      8.23084059    -13.30994213
  H     13.54101222      9.27954868    -14.00920003
  H     12.27700049     13.82396298    -11.52168925
  O     15.01245064      8.91003618     -7.62874717
  H     13.99848770      9.76760756    -15.41138359
  H     14.18600054      9.07099637    -10.43137380
  O     13.68079033     10.77895924    -10.77718285
  H     12.03871741     12.92884157     -8.49525757
  H     13.85148915      7.56619655    -10.52750386
  O     12.42408344      9.94589348     -6.96586829
  H     13.51771369     12.66512410     -8.16490125
  H     10.92232734     10.97675982    -13.73588385
  O     15.59963229     13.71142659    -11.72117173
  H     11.59046697     11.74578467    -16.05909101
  H      9.80655500     10.00804829    -14.20643702
  O     10.91183881     10.87909327    -10.81366969
  H     10.55432371     10.76621164    -16.64942285
  H     15.74943955     12.02875281     -8.94525419
  O     12.21149192     12.06104850    -14.32113875
  H     11.51395538      8.89070054    -13.26300668
  H     15.29006810     13.14889224     -9.93108943
  O     17.01018172      9.09936307    -11.20419990
  H     12.19134472      7.71468915    -12.49647119
  H     15.29826925     10.70926491    -13.40442221
  O     12.79588991     13.84226626    -12.33406488
  H     14.84543607      8.48737078     -8.48036121
  H     16.30366510     10.46841487    -12.23289721
  O     14.57021733      8.18351271    -10.35380048
  H     14.15816543      9.24889142     -7.33488503
  H     10.03270081      8.73008897    -15.99875163
  O     10.31362153     10.28338606    -13.43395819
  H     14.26631029     10.91616520    -11.53147546
  H      8.55400963      9.05523312    -16.32301709
  O     15.02957137     12.64604216     -9.15155195
  H     14.01147513     11.36893960    -10.08616945
  H     17.08415848     10.19329483     -9.52916313
  O     15.76564279     11.13963393    -12.67375835
  H     12.14289016      9.96459280     -6.05448036
  H     16.29834479     10.06628203     -8.21041092
  O      9.34439370      9.41611905    -15.93111980
  H     12.46736627     10.87302087     -7.26034344
  H     10.87749535     12.57589930    -10.30353489
  O     16.85447904     10.67120955     -8.72641215
  H     15.74408039     12.83837411    -12.12440250
  H     10.21380212     13.94153455    -10.00847582
  O     11.05699711     13.49608483    -10.04350960
  H     16.28332176     14.28657726    -12.05545332
  H     12.16505266      8.15995652    -16.46733896
  O     11.46768995      7.70441267    -15.97968696
  H     11.88063516     10.82556168    -10.85467668
  H     11.75800803      7.69229045    -15.05738166
          69
 Energy    -249.28973130780770     
  O     13.12305387     11.93897952    -15.47737584
  H     14.05955213     12.11660641    -15.61545147
  H     15.93852165      9.15499319    -15.62629790
  O     13.95451436      6.80325693    -12.73568375
  H     12.92542565     11.12647897    -15.96430708
  H     13.82821340      9.06369058    -15.10720861
  O     17.75082073      9.21348120    -12.44502390
  H     14.88419359      6.64437580    -12.52186382
  H     14.31437876      8.13259681    -13.95194792
  O     10.82739938      7.80737925    -15.31362286
  H     13.59040150      7.37641668    -12.04856642
  H     12.33134139     11.98144806    -13.92169916
  O     15.74897895     10.32642627     -9.21846958
  H     18.31955844      8.92955642    -13.17617813
  H     11.23977651     12.65253681    -13.05825736
  O     12.96950798      8.60800056    -10.87096923
  H     18.22121890      9.24081979    -11.60482817
  H     16.77063277      6.60626305    -10.48059605
  O     15.80322480     10.92608403    -13.18760338
  H      9.90247848      7.60579686    -15.42726139
  H     17.41936265      7.62291864     -9.52485904
  O     15.26058319      5.95387380    -16.37140398
  H     10.91007491      8.26692919    -14.45818043
  H     11.62871397      8.86480789    -12.21486421
  O     14.44490915      7.84364151     -8.60267289
  H     15.13698909     10.78640087     -9.80546877
  H     11.31763277     10.12421552    -13.03938759
  O     17.47704468      5.67412001    -14.85513912
  H     15.26463801      9.55849835     -8.88954876
  H     18.40355796      7.35118809    -14.89092148
  O     12.84628524      5.76419154    -15.04787512
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  H     18.09628269      8.74676824    -15.44393680
  O     16.53336523      9.50837305    -16.30786230
  H     13.31373786      9.50443858    -10.99045049
  H     16.96579032      7.53763527    -12.38620184
  O     14.54329547      8.90646672    -14.47935840
  H     15.23050618     10.26706864    -13.61401184
  H     16.97445587      6.18825940    -13.14957391
  O     11.87795405     11.94366332    -13.06083539
  H     16.56610233     10.42596150    -12.86232067
  H     17.40312114      9.78573157     -9.53256608
  O     16.79961315      6.88386497     -9.55484214
  H     15.11558609      6.63462166    -17.03489282
  H     18.87565104      9.74394576     -9.06204419
  O     11.14857686      9.17535851    -12.99196090
  H     14.40067358      5.80732284    -15.94872399
  H     15.12133081      8.27540981    -19.01260665
  O     18.68626643      8.27359136    -14.84357088
  H     14.22391157      7.42693701     -7.77425036
  H     15.53354314      8.72208926    -17.59074056
  O     16.67316312      6.61624731    -12.33827236
  H     15.25905449      7.41605795     -8.92379142
  H     14.64694929     11.20365416    -11.86992574
  O     18.26789227      9.36461707     -9.69094134
  H     17.86779385      4.83459394    -15.08243064
  H     13.16792999     11.58737610    -11.71201582
  O     14.85207994      8.24908895    -18.09769086
  H     16.68223143      5.76905258    -15.41088642
  H     16.00339281     11.87594545    -14.66337568
  O     13.92265873     11.23358869    -11.22607921
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  H     16.50414053     13.02866010    -15.56624504
  O     16.00877942     12.21369528    -15.57694539
  H     13.16912555      5.98424464    -14.16141367
  H     12.02175587      8.80562959    -16.29671523
  O     12.73335357      9.39826579    -16.57502263
  H     16.46891658     10.46837008    -16.23336893
  H     13.30257916      8.93188292    -17.19943082
          69
 Energy    -249.28949290722238     
  O      1.37187951     -0.90958798      5.18984164
  H      0.47479017     -1.23952048      5.37868191
  H     -2.10231809      4.68427780      1.40553237
  O      1.94640491     -0.61949587     -2.63556482
  H      1.90323440     -1.10283098      5.95806729
  H     -2.23358629      0.38633583      3.82814289
  O     -1.20873573     -1.62162586      5.61730166
  H      1.15074906     -0.18114772     -2.30578036
  H     -3.06813962      1.49031290      4.48456703
  O     -0.23202576      0.35950182     -1.08243719
  H      1.80239165     -1.56287309     -2.48995137
  H      0.68754111      1.91127795      1.67431265
  O      1.54543273     -3.30662231     -1.68504397
  H     -1.69927846     -2.30101382      5.14032643
  H      0.10678760      2.21243346      3.09034719
  O      3.19222680     -2.51668979      0.31992665
  H     -1.71314982     -0.80525277      5.50607971
  H     -1.64357927      1.61462518     -1.04855491
  O     -4.01786175      2.63780273      3.45337939
  H      0.42958193      0.50141177     -0.39177621
  H     -2.35530479      2.73582149     -0.22908565
  O      0.18225558      1.68659821      4.77959257
  H     -0.56122548     -0.54149893     -0.96153187
  H     -1.19356998      0.85288343      1.99002662
  O      3.87386504      0.02960987     -0.82840915
  H      1.83642522     -4.13611409     -2.05397498
  H     -2.49836846      0.14758983      1.47104139
  O     -5.71453475      0.65710431      2.21100541
  H      2.14816966     -3.09934031     -0.94817731
  H     -0.11533252     -2.77675233     -1.08453667
  O     -4.54069597     -1.20848101      4.01787941
  H      2.74567841     -2.29617672      1.14842406
  H     -0.92152404     -2.53378118      0.22889777
  O     -2.24897811      3.74107423      1.41305076
  H      3.58854629     -1.69616979      0.00153830
  H      0.77227865     -2.02602523      2.33884861
  O     -2.52565841      0.71535709      4.69424060
  H     -4.67354408      2.07133578      3.02734940
  H      1.66686046     -1.37389723      3.42013401
  O     -0.04465305      2.33563522      2.14041958
  H     -3.50271862      3.04022598      2.74382948
  H      2.55496524      0.59909269      0.36114034
  O     -2.47701075      2.09383372     -0.93903346
  H      0.68368837      0.87929480      4.94581825
  H      1.71558773     -0.08764580      1.47256823
  O     -1.76775925      0.08571097      2.10126192
  H     -0.74107694      1.46658768      4.95483936
  H     -3.51194798     -2.63278557      3.92286788
  O     -0.91623276     -2.37482869     -0.72616812
  H      4.64455306      0.43764880     -1.21269376
  H     -3.27444672     -4.13274749      4.20962601
  O      1.63173304     -1.60534643      2.48379704
  H      3.25690718     -0.15701901     -1.55909388
  H     -1.55382378     -2.95613278      2.63069799
  O      1.75555341      0.68719854      0.89362447
  H     -5.11899005      0.47115354      1.46342672
  H     -1.22093918     -1.55973848      2.06644575
  O     -2.83033262     -3.32762447      3.95719801
  H     -6.58781275      0.77205655      1.84572465
  H     -2.65762516     -2.27605598     -1.17146562
  O     -0.95487224     -2.49434080      2.03352626
  H     -3.98381884     -0.55185213      4.45322741
  H     -3.79049344     -2.27969630     -2.21121195
  O     -3.60332520     -2.09480912     -1.29393764
  H     -5.06817973     -0.69959017      3.39085069
  H     -3.50268867      0.86293043     -0.23951885
  O     -3.89664368      0.14397449      0.27855293
  H     -1.40940161      3.33198463      1.68636967
  H     -3.88081666     -0.65686039     -0.26232751
          69
 Energy    -249.28902579355301     
  O     13.53575363      8.67978764    -10.98344816
  H     13.52538873      9.42447802    -11.59729163
  H     18.34936447      3.33627203    -12.53368701
  O     14.24574737     10.68600551    -16.57215970
  H     13.98206492      8.94358243    -10.16473915
  H     12.47566340      7.21924385    -11.14111049
  O     16.45840058     11.21814195    -12.52286007
  H     13.77094429     11.35160755    -16.05865131
  H     12.21358194      6.18726736    -12.24670093
  O     13.04571874      5.80165139    -14.02509954
  H     14.00090636      9.83263937    -16.19208664
  H     20.81756767      8.83630814    -13.53869305
  O     15.80967001      6.37118601     -8.39415032
  H     15.56060242     10.87959554    -12.65347389
  H     19.34269592      9.15360853    -13.87869648
  O     15.90969797     13.23611901    -14.43988205
  H     16.70951797     11.05573711    -11.60671249
  H     14.17212241     12.97978323    -14.60971760
  O     15.80599487      7.46116313    -12.07429405
  H     13.80586702      5.40214411    -13.56994355
  H     12.68197690     13.39492432    -14.70244959
  O     13.85586639     10.40144391    -13.11645266
  H     12.61655886      5.09370839    -14.50083612
  H     13.41855377      7.52371612    -14.72988634
  O     18.29448289      8.18411920    -11.13793265
  H     16.58323544      6.07975821     -8.90665948
  H     14.78639289      8.13993561    -15.06918644
  O     17.39387792     10.46362313     -9.95294053
  H     15.90915617      6.00008808     -7.52016443
  H     17.05488642     11.81209717    -17.50303963
  O     18.62339457      6.05773407    -14.15167514
  H     16.31454596     12.82029868    -15.21108710
  H     15.91415394     11.20298535    -16.65525873
  O     17.88627423      4.15190266    -12.36092081
  H     16.18257209     12.70151282    -13.68187967
  H     13.25507690      5.31675267    -10.36479970
  O     12.07660134      6.35195946    -11.30805607
  H     15.03066669      7.87973959    -11.67922352
  H     14.51768567      5.37134578     -9.45805111
  O     19.92520115      8.51810654    -13.42850935
  H     15.60925825      6.51812143    -12.15129967
  H     16.04305973      4.42782338    -12.51430891
  O     13.26482831     12.64101342    -14.71307445
  H     13.81488734      9.67120004    -13.75089758
  H     14.76591139      4.67110999    -11.64029152
  O     13.83849041      8.33944088    -15.02762278
  H     13.51172658     11.18181419    -13.56687590
  H     18.26345200      6.52451172    -10.25258595
  O     16.81795201     11.56433282    -16.61336900
  H     18.90080902      8.26132537    -11.88354363
  H     17.95593299      5.07433763    -10.66753382
  O     14.03242828      4.81386353    -10.07573231
  H     17.42701999      7.91400822    -11.48270242
  H     16.24476420      7.73386524    -13.77434343
  O     15.15073338      4.79131978    -12.52594682
  H     17.80576810      9.65512341    -10.30422222
  H     17.03511035      8.64791092    -14.74703876
  O     17.97574396      5.66862092     -9.90844629
  H     18.04375002     10.89028381     -9.39982107
  H     15.39054791      8.19866244     -8.62956636
  O     16.51196996      7.83788204    -14.70242570
  H     17.84963387      6.51083985    -14.51262228
  H     15.90117924      9.58974846     -9.09536237
  O     15.11563735      9.10721685     -8.81475168
  H     19.23791707      6.76698082    -13.93246053
  H     17.54213195     10.54878492    -13.77922576
  O     18.04543739     10.18579055    -14.52449775
  H     18.20134058      4.79864959    -13.01696169
  H     17.75372546     10.65809560    -15.31461043
          69
 Energy    -249.28842440826435     
  O     -6.44867347     -1.36201360      6.67993164
  H     -6.40631973     -2.07887507      6.03590370
  H     -4.46430568      1.46775436      0.89395710
  O     -8.59390714     -2.04061728      3.54370540
  H     -5.64312223     -0.84192298      6.56880932
  H     -7.57829077     -0.52478186      3.61780342
  O     -6.42043873     -3.41230909      4.67415314
  H     -9.29788823     -1.86261265      4.18326413
  H     -7.35276440      0.85654284      4.31770066
  O     -5.69860407      0.78685799     -0.23418003
  H     -7.95593586     -2.63626385      3.95588086
  H     -4.08165254      0.08741744      5.20006538
  O     -5.31778743      2.78029572      5.73223236
  H     -5.85830930     -3.16957195      3.91594044
  H     -3.21729984      0.03638949      6.48147350
  O     -6.97257368      5.25764870     -0.28208880
  H     -6.26224252     -4.33608899      4.84918287
  H     -3.45092897      4.72516100      0.49630393
  O     -8.76037146     -0.16130681      7.36565432
  H     -6.52907311      1.01470133      0.21202596
  H     -2.10170205      4.48707907     -0.22475817
  O     -4.33958675     -0.00929380      3.46585559
  H     -5.67195996     -0.17553384     -0.27641882
  H     -9.08743370      3.77914418      3.41086831
  O     -5.34895353      3.35619944     -1.36348294
  H     -6.25771866      2.56381316      5.81724198
  H    -10.14048981      4.37492951      4.35547539
  O    -10.45075981     -1.29524992      5.44038315
  H     -4.84570095      1.97897039      5.98222864
  H     -4.57774644     -1.73273926      2.84936740
  O     -6.01267531     -2.03326309     -0.02864323
  H     -6.44764913      4.56263767     -0.71830570
  H     -5.26172267     -2.45816515      1.67269943
  O     -3.85402297      1.87751469      1.52553222
  H     -7.34846858      5.79168743     -0.97662574
  H     -8.65252710     -1.73616283      1.71992800
  O     -7.05984091      0.29041300      3.59124507
  H     -7.92324298     -0.61359776      7.14901953
  H     -8.56040440     -0.47830890      0.82687395
  O     -4.10726561      0.17826194      6.16872099
  H     -8.82678281     -0.14791738      8.31653923
  H     -8.37795673      1.33612254      6.27787578
  O     -2.92245195      4.06489660      0.01223197
  H     -5.30345312      0.11178898      3.49568698
  H     -8.63682190      2.49203972      5.23212841
  O     -9.62097787      3.58992104      4.19961132
  H     -3.99689029      0.62464214      2.82303961
  H     -4.86142785      5.12107093      2.11518356
  O     -4.93758192     -2.58640443      2.57182146
  H     -5.48831321      2.42596896     -1.14359097
  H     -5.43547626      5.73464849      0.82630018
  O     -8.52185560     -1.44310717      0.80703812
  H     -4.46088799      3.57108915     -1.05218535
  H     -4.88485980      2.99577174      2.61698119
  O     -7.96397667      1.92906509      5.64128030
  H    -11.19630495     -0.71348960      5.30680190
  H     -5.30510764      3.41085735      4.05980032
  O     -4.63467724      5.68569428      1.36204484
  H     -9.93267972     -0.90574132      6.16045324
  H     -7.64351615      0.95520635      2.05218125
  O     -5.39155404      3.64228547      3.12424564
  H     -6.03106785     -2.65688070     -0.75007730
  H     -8.10231660      2.25896899      1.37714439
  O     -7.97486506      1.31749916      1.21520936
  H     -6.93910771     -1.88327696      0.23480238
  H     -7.05564499      3.86013011      2.48412231
  O     -7.91098314      3.99165592      2.04474666
  H     -3.37345098      2.55952495      1.04190815
  H     -7.72851469      4.49739207      1.24361947
          69
 Ord_Energy   -249.288376    
 O    1.37259853       4.91349554       3.60721159    
 H    1.62862420       4.49632025       2.77606368    
 H   0.982955992       5.76589012       3.38521266    
 O   -2.40417051       8.53065968       3.04050183    
 H   -2.61630726       8.35639572       2.10407090    
 H   -2.70955467       9.41326618       3.23443961    
 O    2.11482978       3.42434859       1.23278189    
 H    3.03601861       3.33573294       1.00258684    
 H    1.64917266       3.70101595      0.423291773    
 O   -4.19664001       6.32276821       3.46533275    
 H   -3.63713741       7.10677385       3.46556878    
 H   -4.39783812       6.13124084       2.53781223    
 O   0.108474329       1.56797230       1.82846010    
 H    9.28057879E-02   1.23429585       2.73475170    
 H   0.909072459       2.09410071       1.70365930    
 O   -2.91320276      0.107775070       3.67499185    
 H   -2.03093958      0.319933176       4.00047064    
 H   -3.50504208      0.812744498       3.96963453    
 O   -5.10367537       1.99020946       1.09394455    
 H   -4.49889326       2.54291892      0.577094018    
 H   -4.75452423       1.09149539       1.04806042    
 O   -2.93933153       7.77509785      0.506384313    
 H   -2.17433596       7.20013475      0.360961020    
 H   -3.71651244       7.20378637      0.461562812    
 O   -3.34754968       3.69130063     -0.200357601    
 H   -2.82234645       3.41814685     -0.960523725    
 H   -2.73892021       3.69796062      0.556719005    
 O   -1.47658503       2.64819169      -2.01126599    
 H   -1.45763218       1.86392963      -1.43122411    
 H   -1.48254716       2.32806873      -2.90912318    
 O   -4.89404678       5.75102520      0.781317830    
 H   -4.33526373       5.09386921      0.339396209    
 H   -5.74322414       5.31642246      0.920228481    
 O  -0.244819552      0.756828189       4.47846460    
 H   0.240682706      0.210094154       5.08967733    
 H  -0.208368152       1.66832519       4.82437468    
 O   -2.69044399       4.17029428       4.36205721    
 H   -3.17098022       4.98393393       4.16114998    
 H   -3.33517289       3.45240593       4.29129648    
 O   -1.58893991       3.79486775       1.85387337    
 H   -1.91267455       3.93317437       2.75280380    
 H   -1.01409721       3.01978970       1.86210144    
 O   -6.33594799       4.49231768       4.13163805    
 H   -6.71984196       4.39241934       3.25147676    
 H   -5.71249676       5.22633600       4.06362724    
 O  -0.190956846       3.31296420       5.24765873    
 H   0.418146431       3.87489414       4.74709368    
 H   -1.07330930       3.68014002       5.10411119    
 O   0.212452605       7.50356007       2.91137719    
 H   0.816934764       8.22835159       3.05807853    
 H  -0.677523792       7.85164356       3.07504582    
 O   -1.46033478      0.607052982     -0.256499171    
 H   -2.23098850      0.206504926      0.160670191    
 H  -0.858576715      0.848490775      0.462267369    
 O   -7.03155613       3.96549392       1.37652159    
 H   -6.45449543       3.19249439       1.25880420    
 H   -7.87605572       3.73668861      0.996150911    
 O   -3.71605992     -0.450214535       1.16430652    
 H   -3.38764548     -0.313479543       2.07231498    
 H   -3.99471927      -1.36034930       1.10849643    
 O   -4.67711735       2.29133105       3.90291190    
 H   -4.78683329       2.18228531       2.94900131    
 H   -5.32347488       2.96364713       4.16370201    
 O   0.673582196       4.22424889     -0.922956884    
 H   0.230138943       4.99913025     -0.549812555    
 H   -1.35374004E-02   3.69901919      -1.34911978    
 O  -0.674681902       6.10850525      0.628910840    
 H  -0.981805623       5.30458927       1.07641637    
 H  -0.230298370       6.63311815       1.30564380    
          69
 Energy    -249.28777195380508     
  O     17.80014545      8.31418469    -12.11075179
  H     17.11634260      8.96728249    -12.33628982
  H     15.80715198      8.91947521     -6.99118780
  O     11.94638934     10.92791357    -12.14844268
  H     18.29107404      8.71330869    -11.38077196
  H     13.37481738     10.78635078    -10.89741727
  O     19.00689858      8.39149746    -14.56403857
  H     12.46342076     11.19487073    -12.93059770
  H     13.96115972      9.57306898    -10.13053690
  O     15.78335132      6.60628841    -11.17478994
  H     11.27270544     11.59159989    -12.02618942
  H     18.74662980      8.58130613     -8.73170635
  O     18.84537784      9.85988613    -10.06339076
  H     19.50024944      7.59880455    -14.75854537
  H     17.85817381      8.55734728     -7.48114891
  O     20.05543612     11.93216509    -11.50926499
  H     18.60307485      8.26326911    -13.68917807
  H     16.61037716     12.69760203    -14.26095700
  O     16.53650645     11.18514331     -9.15618112
  H     16.14354596      6.20470268    -10.37316583
  H     16.47672962     12.98155539    -12.72465215
  O     11.71640556      8.13141612    -12.01656305
  H     16.50004650      7.14170084    -11.54205184
  H     17.51362647      6.57514891     -8.48598695
  O     17.02200777      9.73443626    -16.13505121
  H     19.38336042     10.52982268    -10.50261927
  H     17.30260413      5.04758338     -8.36224197
  O     13.90769650      6.80824237    -13.41050384
  H     18.02901893     10.30514016     -9.79105904
  H     15.27511893     10.21197953    -11.79265273
  O     14.66203065      9.09616211    -14.78932872
  H     20.87998234     12.40552484    -11.44001662
  H     16.02040912     11.03244284    -12.87636099
  O     16.42102362      9.64684729     -6.78391143
  H     19.97423528     11.64208662    -12.43572276
  H     19.59191610     10.18310950    -14.26062327
  O     14.14010874     10.48815405    -10.39265112
  H     15.66868179     11.02098017     -9.55079401
  H     19.12251197     11.60571441    -14.62431874
  O     18.41883500      7.99865211     -8.03335184
  H     16.51090001     10.78090865     -8.27950330
  H     17.43502316     11.39813048    -15.92727816
  O     15.99056694     12.71402075    -13.52025968
  H     11.75716468      9.09509954    -12.11764437
  H     17.82122885     12.77994945    -16.51026541
  O     16.90093334      5.84635509     -8.69350611
  H     10.81898753      7.87227471    -12.21320754
  H     14.35028916      7.39639405    -10.40444300
  O     15.87795627     10.13670668    -12.54201869
  H     17.67616686      9.18051199    -15.69205174
  H     12.85595636      7.80142713    -10.56220549
  O     19.73078788     11.11570027    -14.05743244
  H     16.15716005      9.44623526    -15.81248019
  H     18.33755785     12.76462119    -11.29534388
  O     17.72787439     12.29844358    -15.69286310
  H     13.14047820      7.18289257    -12.96163172
  H     17.09165412     12.55408794    -10.42223299
  O     13.60396374      7.82111490     -9.95381302
  H     14.54236789      6.58881967    -12.71786460
  H     13.77185909     10.76955314    -14.64034204
  O     17.41812593     13.03821153    -11.19036401
  H     15.09576554      9.45983366    -14.00148998
  H     14.26237247     12.11369741    -14.04714923
  O     13.46820518     11.60391526    -14.25701990
  H     14.36217571      8.21947862    -14.51635799
  H     15.51176276      6.83475916     -7.78410897
  O     14.89127347      7.51446236     -7.49286259
  H     16.28972255      9.86335722     -5.86464848
  H     14.28224264      7.63342177     -8.23377558
          69
 Energy    -249.28755024951829     
  O     -1.21070900      0.40751431      0.92218736
  H     -2.05608734      0.86282935      1.01749357
  H     -3.77152315     -1.60789261      3.20403840
  O     -2.07674927      4.62705764     -1.43707041
  H     -1.38979147     -0.53799750      0.85612755
  H     -4.04304296      5.12135065      4.00586919
  O     -2.38858262      4.25016851      1.30511627
  H     -2.30777836      5.25984769     -2.11174177
  H     -3.14312130      4.44732020      2.94590822
  O      2.07227602     -0.93889746     -0.74433137
  H     -2.17219231      3.74372116     -1.83657579
  H     -0.72875279      0.22438897      5.02039011
  O     -4.11233043     -2.40010953      1.51394661
  H     -1.47258954      4.08190863      1.57297538
  H     -0.08090594      1.20522645      4.03404832
  O     -0.73941501     -1.42751836     -1.92081101
  H     -2.36653866      4.49539634      0.37144254
  H     -3.61859605      1.59141846      2.26879526
  O     -4.62884934     -0.28314501     -0.30536523
  H      1.66343824     -0.08282545     -0.93865846
  H     -3.26200052      2.63384633      1.18628960
  O     -2.08064222      2.11335917     -2.44931103
  H      1.51870904     -1.58457670     -1.18810537
  H     -2.44541611      1.43618553      4.30678983
  O      0.32403575      1.19475819     -1.21558520
  H     -4.48005292     -3.28008210      1.48521494
  H     -3.54538994      2.51132060      4.14861166
  O     -1.56862926     -2.35961801      0.58347260
  H     -3.20488724     -2.46307446      1.16538201
  H     -1.63123931      4.25121447      4.62390297
  O     -0.95347239     -1.65992272      4.97693898
  H     -0.30579026     -0.56973369     -1.83927872
  H     -0.66111581      3.10817441      4.97418115
  O     -3.46437617     -1.27085338      4.05388778
  H     -1.62289730     -1.22028914     -2.25696031
  H     -0.18952074      4.26449428     -0.97433663
  O     -3.43737150      4.39687921      3.87066962
  H     -4.39384902      0.50107388      0.20937196
  H      0.63164414      3.98520763      0.29891200
  O     -0.69714831      1.15815050      4.77950204
  H     -4.58880205     -1.02395112      0.31129233
  H      1.15100804     -2.01363586      2.42059227
  O     -3.60041251      1.73817835      1.31239723
  H     -1.20660295      1.81414735     -2.16947541
  H     -0.04544488     -2.19940660      3.38782221
  O     -3.37496931      1.56531567      4.06469263
  H     -2.59385778      1.30924055     -2.58521265
  H      1.59258385      0.52516161      2.37846732
  O     -0.69685437      4.04625006      4.74665899
  H     -0.23235482      0.94587736     -0.45969831
  H      0.12719145      0.84258322      1.97868975
  O      0.62395758      3.85421780     -0.65882029
  H      0.58117196      2.11911007     -1.07970282
  H      0.58233747      2.92890852      2.20773517
  O      0.31159569     -2.47393308      2.53394740
  H     -0.84776485     -2.50805758      1.21680173
  H      0.03432543      4.08637571      3.05778628
  O      0.88038499      1.16198612      2.50100530
  H     -1.20795949     -2.19609996     -0.29772791
  H     -3.91764498     -0.72699314     -3.32825091
  O      0.24075845      3.83233765      2.14695723
  H     -1.87223285     -1.58940529      4.65881030
  H     -3.81187600     -0.41706235     -1.81604647
  O     -3.30529090     -0.46160360     -2.64723633
  H     -0.97420679     -2.21747623      5.75060588
  H      3.57918895     -1.10828967      2.07304080
  O      2.65266984     -0.94371695      1.91928282
  H     -3.64392499     -0.32230875      4.07078500
  H      2.51739418     -0.97572015      0.95600934
          69
 Energy    -249.28674084616333     
  O     15.15463112      4.78769273     -9.28483297
  H     14.96640803      5.65206123     -8.90310411
  H     18.45893694      6.05146012    -14.28081435
  O     13.38881393      3.76238331    -11.24520623
  H     14.46269517      4.57041488     -9.92430062
  H     12.90609515      9.12763662    -11.46632368
  O     17.81250448      4.53928362    -10.10947158
  H     13.49787796      2.83958313    -10.98464297
  H     12.64391622      9.22343005    -12.96870973
  O     18.99056651      7.67190734    -13.48785594
  H     13.95540506      3.89178238    -12.02231684
  H     15.06651315      7.36926166    -12.99036689
  O     12.05842500      7.71039135    -14.12830904
  H     16.89201992      4.67399324     -9.84456421
  H     15.19943581      5.96752697    -12.38607948
  O     14.12863864      1.16883799    -10.37668619
  H     18.20939930      5.40781079    -10.26993906
  H     13.72669145      7.31265468    -11.03941929
  O     15.45861247      2.19301422     -8.23303176
  H     18.25643530      8.29481963    -13.63136187
  H     13.46663292      7.61320839     -9.54890053
  O     16.90055753      9.36147810    -13.89523952
  H     19.77491648      8.09392120    -13.83061425
  H     17.31489712      1.20907934    -10.65359699
  O     15.49080189     10.76175857    -11.82987202
  H     11.91779062      7.00730889    -13.47011085
  H     15.89793391      1.02627387    -11.22414488
  O     15.13911218      4.32439670    -13.25147392
  H     11.24935885      7.77582618    -14.62911024
  H     11.92654814      6.49189370    -11.39675969
  O     14.77016421      7.82006381    -14.79496604
  H     14.55278820      1.46024382     -9.54975941
  H     12.12214854      5.05566225    -11.87746671
  O     18.12032251      5.25270633    -14.70354306
  H     13.62345357      0.38797887    -10.16520389
  H     18.04582042      7.66501305    -10.46505258
  O     13.00402812      9.71941262    -12.22613865
  H     15.32389825      3.13110776     -8.42774872
  H     18.89450926      7.20962683    -11.66085846
  O     15.14890786      6.90089587    -12.14988252
  H     16.40250875      2.03553032     -8.36216558
  H     17.42304453      2.48262652    -12.40526343
  O     13.04554936      7.61179019    -10.41445754
  H     16.16795792      8.92882234    -14.35568963
  H     17.79427368      3.85386549    -11.80265912
  O     16.82933294      1.04667826    -11.47274532
  H     16.49580791      9.92086414    -13.22275943
  H     18.15441021      2.92872418     -9.42181096
  O     11.69592171      5.88774504    -12.11651546
  H     15.43215494     11.70908906    -11.73867838
  H     19.03816144      1.85101363     -8.75412765
  O     18.72649510      7.03225646    -10.72674792
  H     14.58853882     10.44298035    -12.01043020
  H     16.59838194      5.35223842    -15.49199887
  O     17.65820004      3.39176929    -12.64165969
  H     15.16122396      4.60446595    -14.17318547
  H     15.67848731      4.96401588    -16.67719342
  O     18.16398006      2.01076175     -9.09973826
  H     16.00815867      3.94722536    -13.05191398
  H     15.48974175      7.89483734     -8.91783427
  O     15.68006025      5.38302057    -15.82129252
  H     15.04469712      7.01057493    -15.24685536
  H     15.10196232      7.76253428     -7.42399674
  O     14.89397925      7.44064581     -8.29695654
  H     13.81049465      7.78331177    -14.68852364
  H     16.17424732      9.40881960    -10.69585630
  O     16.38212422      8.54401765    -10.32313342
  H     18.11598950      4.55848619    -14.03046924
  H     16.06570889      7.89988090    -10.97841295
          69
 Energy    -249.28670121560134     
  O     15.09651345     12.46711158    -12.52397637
  H     15.83484764     11.90559123    -12.25907292
  H     15.40393627      6.82358805    -13.82024411
  O     17.39276369      9.62296736     -7.80699006
  H     14.62283520     12.68824395    -11.71246724
  H     11.39189041     11.12902983    -11.49250884
  O     17.04434646      6.65705083    -10.66749644
  H     17.95992780      9.38756183     -8.55023399
  H     11.07398554     10.76776732    -10.02587203
  O     13.98689612      4.61630762    -10.28334324
  H     16.64665371     10.10657867     -8.18678899
  H     18.23948782      7.97359654    -10.35159445
  O     16.51435153      7.39313962     -6.48610425
  H     16.91738027      5.81872563    -11.12845981
  H     19.67931129      8.53020297    -10.30030322
  O     16.91350800     10.58422333    -11.41078302
  H     16.40067301      6.67353581     -9.94309434
  H     14.46856105      7.31513399     -8.82244174
  O     13.64504970     12.88354205    -10.08244324
  H     14.71016677      4.43486230    -10.89392285
  H     15.56655508      6.77486080     -7.85503988
  O     10.06769634      7.31914073    -10.89102032
  H     14.33964294      5.23288712     -9.62693767
  H     12.19118987     10.84887044    -13.67245676
  O     15.21090811     10.73535406     -9.20766468
  H     16.86291301      8.21177661     -6.87947642
  H     12.37161106      9.65216837    -12.69358578
  O     13.42350295      8.36353925    -12.01617718
  H     16.67524095      7.45999683     -5.54942075
  H     11.97834224      5.66374012    -12.75976372
  O     11.47027185      4.85117862    -11.18200970
  H     16.30839519     10.63508247    -10.65466510
  H     11.52075512      6.80221505    -13.70955641
  O     15.04999338      5.94702691    -14.01884453
  H     17.69437568     10.12192720    -11.08452664
  H      9.41830927      8.29085313    -14.26453912
  O     11.38801572     11.48160284    -10.59272237
  H     13.40977365     13.74196119     -9.74111965
  H     10.61968387      8.92855359    -13.52736375
  O     18.76337521      8.77838664    -10.20295693
  H     12.81089121     12.41043604    -10.25401706
  H      9.98940533      9.15464253     -8.32861279
  O     15.10975063      6.60279703     -8.69071571
  H     10.52428850      6.46876973    -10.89638443
  H     10.38443684      8.52262861     -9.68457142
  O     11.71065758     10.23412109    -13.09878862
  H      9.97880745      7.58240089    -11.81459899
  H     15.78455113      4.88646949    -12.85015680
  O     12.27581841      6.25024745    -13.46916637
  H     14.56677434     10.01418806     -9.17805731
  H     16.59565363      3.61905347    -12.48704335
  O     10.12808556      8.09831248    -13.65791328
  H     14.71296717     11.54181535     -9.39095237
  H     13.97796834     12.15152222    -13.84569237
  O     10.63185911      9.20177292     -9.03124293
  H     13.04044828      7.58286899    -12.43488911
  H     13.57456251     12.36264334    -15.31505900
  O     16.18976728      4.39583074    -12.11235705
  H     14.35009831      8.40451289    -12.28929284
  H     13.36316595      8.54009021    -10.26423512
  O     13.29822568     11.93802754    -14.50813328
  H     12.36659114      4.76241890    -10.80951873
  H     12.45911830      8.83982684     -9.04375404
  O     13.36955307      8.65660615     -9.30108963
  H     11.03888078      4.01021301    -11.05639979
  H     16.35308007      9.17478186    -12.47483411
  O     16.06487070      8.28997201    -12.73436703
  H     14.08754480      6.01977030    -13.97574101
  H     16.40413530      7.69824519    -12.04742766
          69
 Energy    -249.28579485995030     
  O     12.85658220     12.57355454    -14.22609892
  H     13.76870450     12.74356712    -14.48259726
  H     18.18086513      6.48293110    -15.30519422
  O     14.46240764      6.76245875    -12.89575992
  H     12.56539531     11.84463460    -14.79569867
  H     15.03952726     11.45375931    -16.60809862
  O     18.11425813      9.02329425    -12.70085141
  H     15.38455537      6.51851176    -12.74124300
  H     15.28102558     10.06475802    -17.22640612
  O     16.22456794      8.53452786    -16.64982715
  H     14.47000598      7.56379020    -13.44314848
  H     13.79759117      9.49101166    -14.77387929
  O     11.18298476      7.91544336    -15.03439555
  H     17.40492721      9.67882341    -12.76875517
  H     15.13652341      8.84642451    -15.23161659
  O     16.23743685      9.81465904     -8.93095170
  H     18.42635506      9.05309540    -11.78715613
  H     12.26521630     12.11761554    -12.68037098
  O     13.40989640      7.98428194    -10.68810244
  H     17.11445706      8.52490700    -16.27579047
  H     11.26735518     12.35527732    -11.52186600
  O     15.97354949     10.76090212    -12.92319645
  H     15.97536334      7.61788468    -16.83199282
  H     17.91307197      7.26279497     -9.74951090
  O     15.44240305      5.86099853    -16.84347490
  H     10.26687168      7.66896917    -15.13559815
  H     17.27942830      6.23506525    -10.69777240
  O     15.05236232      7.23357150     -8.51715614
  H     11.27358153      8.26992864    -14.13090234
  H     12.00711855      8.55601819    -11.83783943
  O     13.24668905      5.93332793    -15.25987373
  H     15.58536197     10.27274991     -9.47736498
  H     11.54404967      9.92711721    -12.34914494
  O     17.74999762      5.63707022    -15.13166950
  H     15.80604242      9.00060770     -8.64200596
  H     18.58137648      8.62663529    -14.39139081
  O     14.68727496     10.82678105    -17.25207940
  H     13.77262522      7.47031994    -11.42616727
  H     19.59370260      8.64170893    -15.55770154
  O     14.58414914      9.02966318    -14.45920599
  H     13.84894000      7.66840257     -9.88959333
  H     17.40351459      5.93293931    -13.38771253
  O     11.94047009     11.75745664    -11.83527708
  H     15.46498009     10.84263790    -12.10574870
  H     17.47094565      7.26043414    -12.58756374
  O     17.34267245      6.48523108     -9.76561151
  H     15.47772693     10.13078518    -13.47185707
  H     17.79950582      9.40858673     -9.58129286
  O     11.49053721      8.98222098    -12.53325912
  H     15.29087761      5.26714139    -17.57395682
  H     19.33512463      9.39321370     -9.39377669
  O     18.71206817      8.36634182    -15.31807523
  H     14.62992832      5.85654345    -16.30651144
  H     13.48735325     11.14249278    -11.01291173
  O     17.17144945      6.34262515    -12.54208972
  H     15.84904313      6.87715690     -8.95019786
  H     13.99248953      9.71124049    -10.73829547
  O     18.63414277      9.06803057     -9.95228056
  H     14.90863309      6.71074697     -7.73304042
  H     15.84119560     11.98016681    -14.26712027
  O     14.26691549     10.64094961    -10.74467862
  H     13.61558462      6.00919889    -14.36862178
  H     16.26143580     13.24148024    -15.05066206
  O     15.62571093     12.52974586    -15.03793784
  H     12.51832031      6.56490452    -15.28513050
  H     11.95933517      9.49875869    -15.79412339
  O     12.42491419     10.34141908    -15.75884763
  H     16.97738265      5.60878584    -15.70939139
  H     13.07766122     10.40510023    -16.47334713
          69
 Ord_Energy   -249.285309    
 O   -5.41770458       3.20092392       5.59931135    
 H   -5.25955534       4.03524303       5.13546038    
 H   -4.73187828       3.14518499       6.27615118    
 O   -2.37705994       7.05935526       1.15226579    
 H   -2.36383843       6.09683371       1.03851461    
 H   -1.98082435       7.24231291       2.01519489    
 O    1.92123699       1.96353054       2.52523971    
 H    1.12355828       1.56252444       2.91566801    
 H    2.65833783       1.42167497       2.79392767    
 O   -1.79679894      0.578881443      0.877479970    
 H   -1.78272915     -0.261614561      0.424175531    
 H   -1.05857766       1.09546018      0.509398401    
 O   0.444335192       1.90247774       5.29639497E-02
 H   0.433859915       2.82539630     -0.230978221    
 H    1.05474544       1.86789501      0.799845755    
 O   -5.16110659      0.980552256       4.07964182    
 H   -5.35062790       1.78758991       4.59247494    
 H   -5.85866499      0.360654473       4.27565050    
 O  -0.998857379       7.47570801       3.57726288    
 H  -0.778511047       6.58925772       3.90180731    
 H  -0.209171295       7.75932884       3.09569359    
 O   -1.74240673       5.22975302       6.68175077    
 H   -1.06681275       5.09495497       6.00260925    
 H   -2.19967294       6.04070616       6.43278313    
 O   -2.51743579       3.68705654       3.42113233    
 H   -2.54767370       2.85788584       3.91156673    
 H   -3.23573637       4.25300884       3.73793411    
 O   -3.09703207       2.96079898       7.26616240    
 H   -3.01558709       2.78946710       8.20050621    
 H   -2.60874534       3.78493452       7.09079742    
 O   -4.52750063       5.44403648       4.22381544    
 H   -4.10278654       6.18550634       4.67004299    
 H   -4.83041954       5.75490093       3.35733676    
 O   0.175917149       4.68815804     -0.229313552    
 H   0.171585605       5.61044073     -0.507779002    
 H  -0.725836813       4.49495649       7.62757435E-02
 O  -0.252116650       4.93050480       4.33498096    
 H   -1.00731623       4.42771530       3.99428439    
 H   0.451678693       4.85193157       3.67846179    
 O    1.25626922       7.61795568       2.00400853    
 H    1.55559194       6.70858049       2.13203692    
 H   0.925651729       7.66023731       1.09865928    
 O   -2.54149079       1.35880649       5.01993418    
 H   -3.41312456       1.05544007       4.73300171    
 H   -2.66529584       1.82773614       5.85577440    
 O   -3.00487804       7.51066351       5.43873405    
 H   -3.24117684       8.37420750       5.76779938    
 H   -2.29991913       7.64444876       4.78250170    
 O  -0.192438260       7.49837494     -0.499836564    
 H   -1.01994538       7.44698858       7.38601992E-03
 H  -0.326249301       8.15545368      -1.17806625    
 O   -4.99913836       3.84310985       8.00265297E-02
 H   -4.88578033       3.00041437      0.557407320    
 H   -5.49280787       3.64539051     -0.711087465    
 O   -2.33118081       4.30353832      0.765254200    
 H   -3.19738698       4.12921190      0.378507376    
 H   -2.36153150       3.98111725       1.67861247    
 O  -0.376209050      0.794128358       3.35291481    
 H  -0.892406046      0.648905873       2.55016208    
 H   -1.02467620      0.924251497       4.05586624    
 O   -5.09489250       6.24232197       1.66747868    
 H   -4.28623056       6.69873476       1.40416908    
 H   -5.16310167       5.46127033       1.10349989    
 O   -4.43780613       1.55169344       1.37308812    
 H   -3.53520656       1.23584807       1.23787081    
 H   -4.68149996       1.34363759       2.28245854    
 O    1.55507386       4.73516083       2.22348118    
 H    1.09827614       4.73008823       1.37029469    
 H    1.82500970       3.82054400       2.37893200    
          69
 Energy    -249.28498882967165     
  O     13.06462096     11.38448732    -14.43577378
  H     13.91179975     10.91269010    -14.38524101
  H     19.93749110      9.60840034    -13.27534527
  O     16.57699982      7.59067953    -14.18782091
  H     13.09678936     12.05385617    -13.74139330
  H     16.49869781     13.16449917    -13.88633021
  O     16.44055516      9.39687739    -10.08940879
  H     15.74202409      7.12239138    -14.05999570
  H     15.45230307     13.33198889    -15.00799177
  O     17.71915800     11.84868715    -13.44475655
  H     17.07349191      7.52339505    -13.36057819
  H     15.86055295      9.28022512    -14.03470607
  O     15.21483591      9.70749624    -17.39624856
  H     16.11387848      8.71402072     -9.48957096
  H     16.26500875     10.76561030    -13.80177193
  O     13.21585497      6.53397628    -10.13378948
  H     15.66333699      9.82385754    -10.47819506
  H     11.84393623     10.15698427    -14.47780258
  O     14.06948482      6.53948398    -13.71388910
  H     18.41099552     11.46855508    -14.00240213
  H     10.41441790      9.60769475    -14.71892748
  O     14.32966191     10.55853247    -11.43518380
  H     17.97120778     11.68985548    -12.52678232
  H     16.30123886      5.96771839     -9.73735196
  O     19.60344405     10.45697150    -14.96216359
  H     14.59580483      9.15330877    -16.89103295
  H     17.20199645      6.06124468    -10.97705409
  O     14.44461140      4.53177935    -11.79049038
  H     15.05200652      9.51382838    -18.31690329
  H     12.62065748      8.51766851    -15.60666232
  O     17.73411141      9.01135957    -16.24802820
  H     12.87871157      7.18322749    -10.76532065
  H     13.68889763      7.45503536    -15.35675136
  O     19.97014730      9.26053376    -12.37529853
  H     13.49172344      5.77234724    -10.65853876
  H     17.76662913     10.55579719    -10.45864840
  O     15.69290885     13.64209789    -14.12321572
  H     14.17285262      5.75185844    -13.16556875
  H     18.73894720     11.68749919    -10.05982775
  O     15.51411526     10.15841530    -13.83745326
  H     13.60979396      7.19116681    -13.16622093
  H     17.36267249      8.20814946    -11.21905430
  O     11.29260529      9.35400102    -14.44822482
  H     14.06475694     11.48155796    -11.51833246
  H     18.70834740      8.04360551    -11.97642570
  O     16.63334565      5.45426980    -10.48315939
  H     14.78218907     10.34857262    -12.27012974
  H     14.53902090      7.04126928     -9.12153589
  O     13.43173300      8.15000946    -15.97530878
  H     18.96504276      9.93035689    -15.47719370
  H     15.16741976      7.11316386     -7.70950811
  O     18.45167153     11.15504005    -10.79763424
  H     20.29745394     10.71268163    -15.56340274
  H     15.02958213     11.56454346    -16.84156750
  O     17.87869687      7.59487538    -11.75839591
  H     15.27743735      4.79501768    -11.35849510
  H     13.96481646     12.19198638    -15.95084410
  O     15.35045334      7.26907544     -8.63215734
  H     14.41946939      3.57897976    -11.78318368
  H     13.13609560      9.18570638    -11.84223612
  O     14.74670419     12.41039157    -16.47361465
  H     16.94396109      9.32042802    -16.70618055
  H     12.05668377      8.70307533    -12.85345870
  O     12.64289347      8.41123713    -12.14435374
  H     17.41627018      8.36682065    -15.59895465
  H     13.34476437     14.00428898    -12.03367008
  O     13.70672329     13.18197833    -12.35119358
  H     19.62702358      9.96136647    -11.80747552
  H     14.44520348     13.41282192    -12.94604434
          69
 Energy    -249.28430481028016     
  O     16.85931952      8.66942701    -11.08624728
  H     16.58079833      7.98076400    -10.46814061
  H     14.60587683     10.10023735    -14.13158756
  O     10.70306257      8.98655892    -12.40501587
  H     17.27528155      8.21155848    -11.82590429
  H     12.81767973      9.11064256    -15.03916484
  O     12.47694603      3.53971137    -12.52366447
  H     10.32696186      8.11786109    -12.22194211
  H     11.92978061      7.90230771    -15.49551744
  O     14.65482070      5.86335891    -16.07841841
  H     11.05453364      8.94511056    -13.30575721
  H     15.45781206      4.83233113    -12.91800132
  O      9.72949459      6.32558573    -11.89706402
  H     13.27220501      3.96406065    -12.88160009
  H     14.33173472      5.81734652    -13.30210814
  O     15.37581068      4.09285547     -8.37417174
  H     12.18724416      4.07444219    -11.77161796
  H     14.23710916      8.23322206    -12.76636173
  O     12.43175972     10.02990382    -10.60281691
  H     14.68225126      5.35639138    -15.25499313
  H     13.05997455      7.68020924    -13.58617332
  O     16.88034596      5.05863631    -11.76577672
  H     13.72099339      5.99188352    -16.28322619
  H     15.52395481      9.63143252    -11.77702531
  O     16.45758557      7.82324052    -15.65368021
  H     10.31572030      5.86272061    -11.27633126
  H     14.03313475     10.10121992    -11.65645084
  O     12.65713389      3.12378377     -8.57245220
  H      8.83633260      6.14873856    -11.60965957
  H     13.28605584      2.23640528    -11.43532514
  O     11.85546224      6.27188076    -16.41868617
  H     14.45037950      3.82658482     -8.31910992
  H     14.65272449      1.98452468    -10.74997173
  O     14.46210948      9.87060549    -15.06115318
  H     15.78462094      3.48467405     -9.00203910
  H     12.89363565      8.25319931    -10.13348383
  O     12.02519616      8.59231535    -14.82868279
  H     12.03416085     10.76245931    -10.14085724
  H     13.30965679      7.27112878    -11.23780854
  O     14.66363625      4.91756024    -13.45739914
  H     11.77450371      9.71369686    -11.25059689
  H     11.34515687      4.39497939    -13.76656899
  O     13.74193696      7.42376141    -12.95252942
  H     16.48318187      5.56827360    -11.04170873
  H     10.36667794      5.55637736    -13.54404689
  O     14.75437607      9.94359348    -12.27720084
  H     17.33268980      5.69353671    -12.33372166
  H     12.15730800      5.86882047    -10.17239366
  O     13.70832059      1.79725862    -10.68423936
  H     15.80610179      7.12195111    -15.83671093
  H     11.86956065      4.44434420     -9.61423543
  O     13.15866414      7.33796686    -10.28123299
  H     16.85935042      8.04277064    -16.49123144
  H     17.24234980      2.03902198    -10.61920239
  O     10.83048493      5.06647677    -14.23247214
  H     13.00319919      2.56311975     -9.29121400
  H     16.69465788      3.41013764    -11.06800867
  O     11.60401830      5.08166825    -10.28861245
  H     12.27321709      2.53759786     -7.92574147
  H     15.67094999      5.71906721     -9.08701359
  O     16.46344439      2.59024768    -10.60213831
  H     11.46125537      5.79887839    -15.66280970
  H     14.84150259      6.80695620     -9.81325952
  O     15.74173835      6.48114471     -9.68015927
  H     11.32741452      6.05654196    -17.18274718
  H     17.37336806      7.40596621    -14.13267826
  O     17.89549539      7.17471577    -13.34849429
  H     15.14950612      9.23037732    -15.27639883
  H     18.80873082      7.34129232    -13.57319417
          69
 Ord_Energy   -249.283707    
 O   -2.84125257      0.880193591       3.35430813    
 H   -2.52401304       8.73661973E-03   3.61328650    
 H   -2.23031092       1.50464559       3.77363491    
 O    2.51998949      -3.26231623      -1.07669675    
 H    2.77838969      -3.98168778      -1.64657640    
 H    3.33895755      -2.88053393     -0.711099744    
 O  -0.814580560       2.40835404       4.44391966    
 H  -0.439398497       3.07277584       3.85447979    
 H  -0.127289712       1.74600101       4.58762264    
 O    4.60192728      -1.96827745       8.22258890E-02
 H    4.56784534      -1.04506791     -0.197321221    
 H    4.37980509      -1.97494805       1.02343392    
 O    3.82125354      0.730627835     -0.492437780    
 H    3.67705941       1.62255573     -0.836088717    
 H    3.59096599      0.774589241      0.444901466    
 O    1.61887252     -0.630095661      -1.56842923    
 H    1.80632305      -1.57035851      -1.45642185    
 H    2.42809987     -0.155537918      -1.33234775    
 O   0.147150129       4.31711912       2.52791309    
 H    1.05171013       4.10031176       2.24085069    
 H   0.149895802       5.23697710       2.78008175    
 O    2.99179459       3.29877305      -1.20528257    
 H    3.36455297       3.99202824      -1.74361002    
 H    2.07872200       3.16126895      -1.51589108    
 O    1.23190939      -3.26916766       1.45088947    
 H   0.407633811      -2.78195548       1.30177581    
 H    1.60888350      -3.43804169      0.580001473    
 O   -3.42978215       1.60051239      0.840977609    
 H   -3.25511694       1.30623770       1.75460649    
 H   -4.33365679       1.90303445      0.820000470    
 O    3.35563564      -1.88261330       2.62889218    
 H    3.27151179      -1.98093569       3.58488989    
 H    2.60303950      -2.35375905       2.23956966    
 O   0.426732153       2.87615085      -1.94889963    
 H  -0.128821492       3.02079177      -1.16906214    
 H    4.83151302E-02   2.10841393      -2.39136457    
 O    2.79428315      0.774700046       2.18637228    
 H    3.07650661     -0.132117853       2.37444091    
 H    1.95307291      0.720913827       1.69806683    
 O  -0.609389484      0.359820545      -2.84111834    
 H   0.194371194      -6.05508909E-02  -2.49222088    
 H  -0.724469185       3.33991684E-02  -3.73092318    
 O    1.07320058      0.244867325       4.46803856    
 H    1.55984175     -0.456710249       4.91934156    
 H    1.65335226      0.545599401       3.75985265    
 O  -0.998599231       2.87932992      0.415541112    
 H   -1.88930428       2.53805113      0.570372045    
 H  -0.738912880       3.42879319       1.16601360    
 O   0.571989179      -3.58042550       4.22750521    
 H  -0.181469619      -2.97317624       4.22761726    
 H   0.789629817      -3.72071838       3.29774094    
 O    2.52187920      -2.06011271       5.32258797    
 H    2.83808279      -2.38459587       6.16101694    
 H    1.83254385      -2.67969775       5.01954412    
 O  -0.981460333      -1.65326405       1.12926292    
 H   -1.64250660      -1.49764860      0.442082971    
 H  -0.443552047     -0.847125947       1.13095963    
 O   0.544414639      0.586462200      0.739791989    
 H   0.818694890      0.227417111     -0.114434421    
 H    1.21717602E-02   1.37857676      0.590332985    
 O   -1.21840036      -1.42672145       3.88212299    
 H  -0.497274071     -0.807326496       4.05959368    
 H   -1.24033964      -1.55923879       2.92199898    
 O    2.58827353       3.54518628       1.63696897    
 H    2.75569534       3.53796291      0.686772406    
 H    2.80695128       2.66096783       1.95714593    
 O   -2.55545402     -0.562489927     -0.843775749    
 H   -2.90554380      0.184689716     -0.341310114    
 H   -1.99217761     -0.191044942      -1.53176546    
          69
 Energy    -249.28368765963722     
  O     17.80370439      8.65864560    -14.98855457
  H     17.93137653      9.48646746    -15.46588598
  H     17.78940104      3.94268603    -11.57743865
  O     18.09347708     11.27818682    -15.94518274
  H     17.24135869      8.87121373    -14.22392791
  H     15.22846644      6.65477036    -11.58500201
  O     16.10430057      6.49805548    -15.39844838
  H     18.60031547     11.54575082    -15.15579845
  H     16.47994555      7.16915597    -10.80907344
  O     19.66528778      7.72060231    -13.18188438
  H     18.51282357     11.68997716    -16.69579716
  H     19.13041554      4.72210063    -14.18288662
  O     20.60991803     10.01834657    -12.04464707
  H     16.74090470      7.22366792    -15.33916167
  H     19.51556403      4.65029654    -12.69367241
  O     18.27906884      6.97713660    -10.82014718
  H     15.26389574      6.88341888    -15.68821068
  H     16.89352219     12.49259613    -11.71509031
  O     12.19374128      7.06530682    -13.35736951
  H     19.08243558      8.03697254    -13.88593501
  H     17.04169220     14.03055187    -11.80041903
  O     15.71483086     12.27598406    -14.64333463
  H     19.84320007      6.78481547    -13.35590505
  H     17.06381424      5.00803520    -15.37545180
  O     13.68790920      7.73228645    -15.77393210
  H     20.35007816      9.18020021    -12.46466100
  H     17.63701499      3.75834786    -16.07942740
  O     13.99895344     10.16617406    -14.44817026
  H     21.55859047      9.99007331    -11.94468749
  H     15.84960709      8.52022016    -12.31007663
  O     12.25729307      9.66224392    -12.24219881
  H     18.42131305      6.02360315    -10.76652043
  H     15.34545782      9.46680795    -13.45910279
  O     18.57780810      4.19263866    -11.06270536
  H     18.70191259      7.26766757    -11.64005461
  H     18.65482476     12.46487002    -13.11883761
  O     15.53394413      7.31642721    -10.94985676
  H     11.32162223      6.70471376    -13.21299899
  H     19.75275521     11.36668590    -13.06022552
  O     19.79210034      5.01438811    -13.54372238
  H     12.19582631      7.94958018    -12.95998969
  H     17.30915047     10.59168444    -10.41062753
  O     17.11236345     13.22933124    -12.31225579
  H     16.45030147     11.96169356    -15.18403856
  H     16.44082985     10.42922116    -11.67834853
  O     17.61004537      4.21467236    -15.24225842
  H     16.11779908     12.69397955    -13.87322093
  H     13.79303526      6.10209049    -13.14500564
  O     16.12130429      9.18563557    -12.95474457
  H     13.82726781      8.64888472    -15.49413817
  H     15.18825074      6.03585779    -13.82287214
  O     19.30850783     11.99004359    -13.64720573
  H     13.04995882      7.38738136    -15.14025026
  H     19.44084770      9.85807834    -10.53119340
  O     16.56961750     10.98668237    -10.89601677
  H     14.48190367     11.00393081    -14.52659368
  H     18.58911895      8.69495813    -10.00378205
  O     14.68319403      5.74188634    -13.05160161
  H     13.34643220     10.23260583    -13.74219860
  H     14.86762370     10.24696283    -10.33261878
  O     18.74216990      9.64283726     -9.90046162
  H     12.90704968      9.66882280    -11.51575871
  H     14.54113827      8.74827013    -10.34669630
  O     14.13074754      9.62459183    -10.30397871
  H     11.52018310     10.19347717    -11.95261159
  H     15.74531486      4.23092637    -12.70780861
  O     16.48862957      3.61420209    -12.69228171
  H     18.76486281      3.46619876    -10.47455158
  H     16.86324912      3.64784174    -13.58202681
          69
 Energy    -249.28341376428901     
  O     15.37893402      9.10767500    -10.12042356
  H     15.22676298      9.92861350    -10.60561658
  H     16.88949055      2.43070762    -13.08254073
  O     13.04674279     11.87277088    -15.53064563
  H     14.52700286      8.77845574     -9.80615898
  H     13.56354343      6.98757145     -9.28909295
  O     17.56768826     10.66928516    -13.00925309
  H     13.94072500     11.80241022    -15.90437947
  H     12.44994116      7.84533976     -8.63896877
  O     12.27947185      5.43767326    -13.34914253
  H     12.45879133     11.95009208    -16.27822700
  H     17.83456817      6.39208501    -15.51922334
  O     17.44086310      5.65040313     -8.84345439
  H     18.16093646     10.29942820    -12.34558419
  H     19.13662729      6.82928467    -16.22873665
  O     15.95544000      7.27488113    -12.17715220
  H     16.74976765     10.90838936    -12.55871299
  H     12.99989370     10.74847889    -14.12468644
  O     15.02472473     11.30058882    -11.78783150
  H     12.18204197      6.31627852    -12.93884023
  H     13.78265768      9.44155891    -13.85607292
  O     18.62728593      7.11526638    -12.76431102
  H     11.40554048      5.05995199    -13.39649643
  H     16.19494120     10.92701552    -16.26892109
  O     19.40530649      9.27330450    -11.29886780
  H     17.62398738      6.60403392     -8.91985995
  H     16.18555997     12.29919322    -16.94940934
  O     16.70865954      5.12951243    -15.30214432
  H     17.83770842      5.36226793     -8.02517406
  H     12.37438734      8.67833542    -12.51425648
  O     14.06771011      5.90651673    -15.54595100
  H     15.48935267      6.44045642    -12.03721090
  H     12.38650024      7.87250159    -11.18644396
  O     16.67623365      3.35900717    -13.04513637
  H     15.75774032      7.86379916    -11.43839772
  H     14.54391836      5.21629893    -10.14054360
  O     13.03476026      7.80101149     -9.39042028
  H     14.80138568     12.22303391    -11.69258246
  H     15.54897078      5.61537829     -9.04367641
  O     18.50103422      7.10334082    -15.57316935
  H     14.35248934     10.90950549    -12.37163435
  H     15.20324925      4.23812513    -12.35333728
  O     13.20419384     10.09944367    -13.43709260
  H     18.70426570      7.10566568    -13.72557572
  H     13.79653559      4.93082621    -12.44621443
  O     15.60992165     11.64004286    -16.56836936
  H     17.67879667      7.17087619    -12.56100067
  H     18.03640897      4.95458135    -10.49993591
  O     12.11423701      7.84055535    -12.11094485
  H     19.22498660      8.47853874    -11.83161318
  H     18.60114878      5.48210876    -11.83761000
  O     14.60990314      5.61926450     -9.26251399
  H     20.34550401      9.42823105    -11.34350965
  H     15.31765016      7.93087683    -13.71295750
  O     14.59300779      4.83882892    -11.90765144
  H     15.77369884      5.32676194    -15.46133647
  H     15.69335462      8.79150728    -14.94987076
  O     18.33900363      4.67633953    -11.37326670
  H     16.73259965      4.48616188    -14.58615281
  H     16.96775692      8.66084627     -9.36411369
  O     14.96174201      8.33368248    -14.51895433
  H     14.30702209      6.81702121    -15.31911467
  H     18.45204308      8.68658585     -9.77166776
  O     17.83876127      8.30848028     -9.13092432
  H     13.38952053      5.66307599    -14.90637061
  H     17.41618464     10.01344186    -14.63357795
  O     17.21561313      9.63782920    -15.50755875
  H     17.31229261      3.77123385    -12.43221955
  H     17.71810822      8.82055483    -15.60359447
          69
 Energy    -249.28318144771606     
  O     -0.92291843      2.15052643     -1.73788682
  H     -0.18626503      1.54215188     -1.58812649
  H     -0.48050432      5.54113486      5.75922743
  O      0.05864092      4.76642585     -1.12631550
  H     -0.56234934      3.04006547     -1.64795801
  H     -2.57774715      0.94405785      2.94007043
  O      3.91822511      2.04191901      2.42096572
  H      0.91668451      4.94156380     -0.69946766
  H     -2.51506020      0.30276245      4.34400649
  O      1.26421901      1.68951403      1.53969314
  H     -0.18915861      5.57055685     -1.57516916
  H      0.45486373      0.79986743      4.30441096
  O     -3.17502008      1.29641074     -0.50714722
  H      4.16811367      1.13171592      2.21338701
  H     -0.57602246     -0.00233616      3.48740278
  O     -2.88619193      2.49159317      2.03024300
  H      4.24893892      2.59637565      1.70173810
  H      3.53539514     -0.99278186      1.74064729
  O      1.14486811      0.44600143     -0.92736567
  H      2.17323206      1.88936720      1.79273986
  H      5.06577669     -1.21022312      1.71545321
  O     -2.14594647     -1.00665032      0.83099725
  H      0.91381744      1.09899986      2.22126178
  H      3.15280405      2.86580886      3.88002561
  O      2.31967624      5.22495987      0.29498229
  H     -2.38133810      1.62081151     -0.97004192
  H      2.01530158      2.82645783      4.93749626
  O      4.51656830      3.42265543      0.05441532
  H     -3.87800379      1.27480444     -1.15089500
  H     -3.15497929      3.24985499      3.73405606
  O      0.18796493     -2.05389858     -0.02583071
  H     -3.15347105      2.13305440      1.17526233
  H     -2.31118544      4.08252154      4.73017733
  O     -0.60903518      4.90282544      5.06073634
  H     -2.06508214      2.97927437      1.86235547
  H      0.58339937      4.71900567      2.45084433
  O     -2.39699343      0.11294785      3.40586473
  H      1.18248909      0.88934900     -0.06497492
  H      1.76889696      4.62359283      3.47762995
  O      0.37355318      0.12532161      3.61735033
  H      0.85435943     -0.45691799     -0.75040176
  H     -3.00385281      1.09014005      6.79233127
  O      4.38551662     -0.57236152      1.51765884
  H     -2.52519689     -0.27771555      0.32456264
  H     -2.76101641      2.05167518      5.60173165
  O      2.61795552      3.41420694      4.47080149
  H     -2.30929315     -0.79900626      1.75941500
  H     -0.61895055      1.75825025      5.84897709
  O     -3.07119447      3.49057889      4.66652741
  H      3.08342657      4.63818482      0.23834089
  H     -0.03655830      3.08864480      5.36025609
  O      1.20581571      5.24034090      2.98096551
  H      2.12716891      5.35963226      1.23050224
  H      2.98035287      0.76244548     -1.08072593
  O     -2.45887122      1.22504774      6.02203161
  H      4.29725136      2.57619227     -0.37577005
  H      4.13532983      0.34812039     -0.15205273
  O      0.19608037      2.16603232      5.52830166
  H      5.33434912      3.72441959     -0.33268743
  H     -0.48036381      4.13133719      0.54089120
  O      3.90475756      0.95058049     -0.87047436
  H     -0.66995749     -1.71437983      0.28759655
  H      0.09977164      2.99269524      1.42387211
  O     -0.52881246      3.73251723      1.41851077
  H      0.01009021     -2.87803763     -0.47097677
  H      1.39387079     -1.87026699      1.41421796
  O      1.99001924     -1.65166729      2.14130550
  H     -0.00604383      5.15854628      4.34563504
  H      1.46400211     -1.15042568      2.77804602
          69
 Energy    -249.28292239765443     
  O     11.04397699     10.37057890    -11.12358116
  H     11.87085319     10.78396731    -11.40009361
  H     18.19160767      5.96735495    -17.30862796
  O     13.15129926      7.55558305    -15.15914170
  H     10.52932091     10.23393091    -11.92995170
  H     16.30262427     13.04593453    -13.57816111
  O     17.86995611      9.03785304    -16.60647252
  H     13.01515721      6.82093033    -14.54660725
  H     16.48646879     11.51806892    -13.71238485
  O     12.27614916     10.06825991    -14.58404775
  H     13.64989012      7.25287837    -15.93340072
  H     14.68296731      8.01688117    -14.30376367
  O     15.66225816      5.44669687    -10.51658812
  H     17.10092675      9.37525690    -17.08478851
  H     16.05555418      7.44238585    -13.82222391
  O     12.88987035      5.70864245    -13.09101283
  H     17.86570668      9.47463485    -15.74625556
  H     10.19696094      7.97394944     -9.22072035
  O     14.90242353      9.05495474    -11.25497727
  H     12.55707277      9.17205164    -14.82675086
  H     10.88523709      8.83790490    -10.30606886
  O     15.45292507      9.78832771    -17.87182738
  H     11.34658118     10.00001796    -14.33836015
  H     18.35463012      7.31071170    -12.96302713
  O     15.36261495      4.22622387    -12.91302884
  H     14.78955179      5.84389853    -10.38386863
  H     18.28171323      8.01370201    -11.60195363
  O     17.45745539     10.04898567    -13.96731300
  H     16.29483252      6.15204900    -10.33940495
  H     11.05694078      6.44712852    -12.91123032
  O     14.83675160      7.06977973    -17.23846720
  H     13.01284869      6.14913267    -12.23668744
  H     10.40573053      7.17913177    -11.71793561
  O     17.58018533      6.34923247    -16.68479125
  H     13.63046664      5.09642246    -13.16778335
  H     16.65101870      5.34949314    -13.68712635
  O     15.82181867     12.22407916    -13.63760547
  H     15.13542766      8.70164950    -12.12930820
  H     17.37416201      6.03984372    -14.89494302
  O     15.46070475      8.20281808    -13.76649545
  H     14.40459646      9.86083442    -11.43579780
  H     16.35322880      8.41022791    -10.40892232
  O     10.77576886      7.92751534     -9.97646900
  H     15.04464619     10.36201510    -17.19933077
  H     17.32200381      8.25909387     -9.21528224
  O     18.69267676      8.07180669    -12.47295427
  H     15.31911971     10.21758622    -18.71274503
  H     14.84998497     11.73252742    -15.23625054
  O     10.31638982      7.01234703    -12.66526232
  H     15.43770123      3.27949298    -12.82434298
  H     13.54219075     10.97994998    -15.56115346
  O     17.22584899      6.08240351    -13.94010799
  H     15.51403164      4.60324967    -12.02614398
  H     12.43686551      7.19842653    -10.24750221
  O     17.11391358      7.90474636    -10.07662664
  H     18.07049406      9.53716178    -13.42089528
  H     13.80432942      7.70975329    -10.77720704
  O     14.34691245     11.34055539    -15.95817541
  H     16.66458102      9.49072753    -14.01544759
  H     13.08526520     10.77373146    -13.10698608
  O     13.28985814      6.91010061    -10.59276439
  H     14.99410088      7.97797658    -17.53030088
  H     14.26258035     11.67070198    -12.67159647
  O     13.49841285     11.18840705    -12.33366367
  H     15.71036154      6.69209829    -17.08660370
  H      9.91290588      8.60114570    -13.30674927
  O      9.73978262      9.53344740    -13.52987041
  H     17.76251351      7.30705964    -16.66320927
  H      8.84723159      9.57651556    -13.86165085
          69
 Energy    -249.28244282289424     
  O     14.19958054     11.04078681    -16.52207262
  H     13.91608699     10.96064290    -15.59217988
  H     19.68244802      6.74794048    -14.50822991
  O     15.80259742      6.07393306    -12.85854068
  H     13.67994810     11.74117116    -16.90670118
  H     18.94768560      9.28299954    -18.52774242
  O     19.16800506      9.08475119    -12.24846028
  H     15.43675765      5.35810597    -13.38891921
  H     17.80835079      9.59857518    -17.52967546
  O     18.49233788      6.96039522    -15.94826304
  H     15.97822671      6.79524405    -13.48630226
  H     15.60164633      8.14052968    -15.34451132
  O     12.89122771      6.59680220    -15.02924544
  H     19.34273637      9.51561672    -11.40263910
  H     16.60634485      8.89365814    -14.40536719
  O     16.58635387     10.87658450     -9.53478162
  H     18.74570512      8.24269525    -12.02681474
  H     14.07366912     10.80766810    -13.26013241
  O     14.39291646      7.92333549    -11.35925184
  H     18.60260884      7.56876098    -16.68691965
  H     12.92053028      9.89351445    -13.70732106
  O     17.37291268     10.42863001    -13.83646329
  H     17.74046904      7.30859679    -15.44350917
  H     17.25100110      7.72980243     -8.93485722
  O     16.47634620      5.19617209    -16.84064990
  H     13.31365026      7.15458101    -15.69773590
  H     18.25762566      7.05739002     -9.89861959
  O     15.43686719      8.31731300     -8.83679900
  H     13.43449208      5.80347970    -14.96156100
  H     12.39645182      7.62567137    -13.73967614
  O     14.74331559      4.41047684    -14.88125060
  H     16.19373167     10.08084199     -9.15384412
  H     11.23088254      8.18092854    -12.88639254
  O     20.14432533      6.74099076    -13.65898092
  H     17.53812686     10.71714588     -9.54546953
  H     17.43475741      6.19334709    -12.02126491
  O     18.21236323      8.89034783    -18.06499073
  H     14.87150604      7.21095054    -11.80639082
  H     18.96546541      6.29586821    -12.29880121
  O     16.28252390      8.02323367    -14.67112911
  H     13.55838508      8.03337382    -11.83254657
  H     18.98618857      9.11120666     -9.32790851
  O     13.43420254     10.66552720    -13.97126661
  H     16.67275595     10.60487273    -13.19239995
  H     20.03796773     10.19431927     -8.98491545
  O     18.19211775      7.58099434     -9.08687398
  H     18.10342935     10.03128137    -13.34062969
  H     15.94573153      7.26610645    -19.71885557
  O     12.16948559      8.25913776    -13.03468241
  H     16.21552441      5.76320261    -17.57400370
  H     16.81592751      7.86511331    -18.59012844
  O     18.28136734      6.44265731    -11.62965458
  H     17.28880037      5.59705166    -16.50391267
  H     15.77033353     10.83212088    -11.13393442
  O     19.32238357      9.99123630     -9.58091857
  H     15.01044414      8.14547665     -9.69242251
  H     15.07404238      9.62774680    -11.80289492
  O     16.02451482      7.33182043    -18.77026096
  H     14.80036323      8.08906704     -8.16378603
  H     17.27193660     10.79768069    -15.62217810
  O     15.35240359     10.54004599    -11.95676807
  H     15.35956057      4.65422650    -15.59437412
  H     16.10433681     10.97764746    -16.61086128
  O     17.05068445     10.79916022    -16.56460929
  H     14.58862943      3.47323644    -14.96442899
  H     14.23900233      9.22019294    -16.76900141
  O     14.35192911      8.26215596    -16.71457355
  H     20.14503662      7.65693379    -13.35625374
  H     14.84219661      7.97241796    -17.49358421
          69
 Energy    -249.28136100661089     
  O     15.77479639     10.22437949     -9.57067984
  H     15.90227099     11.17348930     -9.69150618
  H     11.21077843      8.59799720     -9.54302308
  O     15.69746438     12.43673906    -14.50783659
  H     16.23265936      9.78291191    -10.30247045
  H     15.44579349      5.69140947    -10.99794260
  O     11.77585362     11.56607731    -13.51269024
  H     16.14556388     13.05496914    -15.07873055
  H     14.14821490      6.29924647    -11.58260062
  O      9.79758572      9.72814834    -12.45687484
  H     16.36673065     12.08075697    -13.89647092
  H     12.05076081      6.40554943     -9.22904270
  O     13.89186806     12.77545408    -12.34536180
  H     11.09861301     10.95978337    -13.19523301
  H     11.76468298      6.89879162     -7.79564071
  O     15.89828175     12.89647432    -10.45640397
  H     12.38496070     11.04937214    -14.05839681
  H     14.46453036     11.08258463    -14.98952997
  O     16.98508931      8.86423671    -11.71172057
  H      8.90298669     10.05045000    -12.38577190
  H     14.42224207      9.60582104    -14.58196664
  O     13.60095344      4.56817089    -13.84725382
  H     10.12134704      9.59024893    -11.54801846
  H     17.49483061      6.12717588     -9.51858469
  O     17.36354907     11.55341259    -12.55639842
  H     13.02148142     12.54479660    -12.70659875
  H     16.16766774      6.92259225     -9.45399160
  O     13.33027702      7.81210647    -12.09900007
  H     14.49788386     12.74455504    -13.09763485
  H     13.01870406      4.97906987    -10.55544384
  O     10.90203008      4.82755276    -12.88893054
  H     15.12415961     12.93189839    -11.04404670
  H     11.58256912      4.88942645    -11.09152832
  O     10.92243876      9.37980710    -10.02859853
  H     15.97420591     13.75652776    -10.05114596
  H     14.23001584      5.58814822    -15.09268597
  O     14.60695543      5.46068950    -11.40955077
  H     16.49608786      8.63475615    -12.51568758
  H     14.99298306      5.73063160    -16.43105332
  O     12.09824148      7.18190073     -8.64415860
  H     17.08446069      8.04465080    -11.21125033
  H     12.82110857      8.92487128    -15.70694606
  O     13.88436518     10.31274281    -14.96604234
  H     12.66759983      4.53396421    -13.60860781
  H     13.09614977      7.42351151    -15.91344603
  O     16.83854657      6.55689933    -10.06051034
  H     14.07247932      4.74488263    -13.02081008
  H     11.38018402      7.68111880    -14.42226944
  O     12.09146777      5.00712735    -10.28098779
  H     17.04059483     12.04199275    -11.78960021
  H     10.47038331      8.22882474    -13.26241892
  O     14.58762728      6.23306971    -15.72986931
  H     17.38950788     10.62412210    -12.29477748
  H     15.13271810      8.66513211     -8.69344612
  O     12.38522243      8.07019271    -15.82009983
  H     12.49509773      7.67548301    -12.56336538
  H     13.98430197      7.61691693     -8.58501377
  O     10.96828952      7.46203364    -13.57156589
  H     13.28716090      8.66848915    -11.65439549
  H     14.63632520      8.03992195    -13.24558922
  O     14.94025559      7.73165449     -8.53500316
  H     10.10609292      4.40517469    -13.20146677
  H     15.28251673      7.52228279    -14.55152891
  O     15.36422298      8.19900983    -13.86847900
  H     10.84216802      5.76359761    -13.14753547
  H     14.16317421     10.27683763    -10.36646011
  O     13.36479968     10.31806147    -10.90818883
  H     11.73821578      9.85879807    -10.23536533
  H     13.46135924     11.07738461    -11.49230475
          69
 Energy    -249.28068673500900     
  O     16.56651021      8.09007917     -9.65760913
  H     15.99254831      7.42697019     -9.23427011
  H     14.37645329      5.58754177    -13.63265321
  O     10.75153614      8.99133717    -12.54536686
  H     17.19401166      8.36756644     -8.99450344
  H     13.49407364      7.72167653    -13.75503775
  O     12.34677797      3.46017432    -12.73308850
  H     10.34618080      8.13709645    -12.35909574
  H     15.01760454      7.63810311    -13.40746851
  O     14.30327842      5.72004325    -16.51330985
  H     11.21362642      8.89724477    -13.39103742
  H     15.60741044      9.44288557    -10.65235645
  O      9.65664771      6.37063409    -11.96507742
  H     12.11741995      4.03574904    -11.98979996
  H     14.25613803     10.13073620    -10.99419388
  O     12.37957412     10.02115454    -10.66542479
  H     13.09004972      3.87361564    -13.20004232
  H     15.19821953      3.05320848    -11.27656132
  O     16.04606273      7.76647357    -16.68949931
  H     13.35802835      5.90115279    -16.58145568
  H     13.71976331      2.70309913    -11.55815344
  O     13.34530000      3.78711685     -8.66898034
  H     14.42047225      5.21890229    -15.69479509
  H     13.56862919      7.32479818    -11.51897065
  O     11.53585145      6.36095820    -16.44737415
  H     10.26786446      5.88580264    -11.38624696
  H     12.82891675      8.24898912    -10.51412053
  O     14.39332909      9.94439115    -15.81220635
  H      8.78140766      6.23688019    -11.60802132
  H     11.10886057      4.33349071    -13.88473391
  O     12.27082577      8.53895398    -14.82227697
  H     11.89935472     10.62670551    -10.10768137
  H     10.17293608      5.51982915    -13.60052516
  O     14.52988486      4.67656806    -13.92779713
  H     11.76439472      9.73637224    -11.36647239
  H     12.04267291      4.60708350     -9.79800471
  O     14.14478829      7.29363149    -13.18208583
  H     16.55071645      7.67698621    -17.49306629
  H     12.15043744      5.93113043    -10.57758331
  O     15.20135815     10.13607728    -11.18637734
  H     15.42244120      7.01807716    -16.66574852
  H     17.40996226      3.37777916    -12.42254495
  O     14.40879982      2.65989115    -10.88376260
  H     13.78159768      3.33858448     -9.41620749
  H     16.89666178      4.78144484    -12.02970313
  O     13.15880037      7.35237843    -10.64126158
  H     13.23729434      3.13286997     -7.98412476
  H     15.74239698     10.61275340    -12.74697848
  O     10.57633917      5.01403486    -14.31549978
  H     11.17185254      5.84067448    -15.70807628
  H     16.55775173     11.62414241    -13.58626587
  O     11.63623121      5.11002464    -10.51325018
  H     10.90971245      6.29607168    -17.16337220
  H     14.42899568      5.41967540     -8.54161556
  O     16.61648968      3.86975900    -12.22785001
  H     14.95837967      9.27223894    -16.21408788
  H     14.18291174      6.70132729     -9.33979931
  O     16.08154264     10.80024688    -13.64134276
  H     14.91397439     10.33920981    -15.10180721
  H     17.12987810      6.98375686    -11.08742049
  O     14.78421307      6.30089065     -8.69227072
  H     11.99701532      7.87057417    -15.46190006
  H     17.26187294      7.00145700    -12.62479144
  O     17.35465147      6.43461914    -11.84721415
  H     12.92848721      9.11436692    -15.24166523
  H     16.65101303      9.06135997    -13.87729290
  O     16.72884101      8.10533124    -13.99582851
  H     15.29792067      4.35060778    -13.44316952
  H     16.60861521      7.93013353    -14.93855052
          69
 Energy    -249.28046664029037     
  O     12.99297806      9.35926917    -16.58865598
  H     12.89359409      9.30958819    -15.62072713
  H     16.89951177      4.29622198    -15.62967187
  O     16.68573875      5.72098448    -12.98443942
  H     12.13967792      9.59932358    -16.93931019
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  H     16.74741197      9.91345581    -17.72759090
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  H     18.49969197     10.28934971    -11.15147774
  H     18.26062311      9.58396902    -17.63613359
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  H     20.00437295     10.59862273    -11.02944820
  H     17.49100486      7.65284639    -15.15241466
  O     14.67417146      6.93263876    -11.49121564
  H     20.56321633     10.34077760    -16.89070895
  H     15.95774082      7.53441695    -15.47759247
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  H     19.50242838     10.36329227    -15.76544014
  H     12.57812116      8.16093711    -13.62145609
  O     17.84893915      5.25343638    -16.72162732
  H     14.59341230      4.53585110    -14.98902937
  H     13.33369019      9.44873548    -13.23281691
  O     16.71475696      7.60395752     -9.67215001
  H     14.02761297      5.78025306    -15.68399210
  H     12.91239395      5.85883020    -13.76755608
  O     19.25855698      7.33533626    -15.48919069
  H     16.77594804     10.73467885     -9.34100139
  H     11.60763347      5.90033258    -12.93566335
  O     16.37538525      3.79643919    -14.97679479
  H     16.90214692      9.29864791     -9.90736685
  H     19.15747824     10.89581304    -13.42518792
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  H     13.82485058      6.70159010    -11.88670090
  H     17.91872513     10.99384289    -14.31731733
  O     17.44490439      9.34598820    -18.08896802
  H     15.34041778      6.45119325    -12.00243463
  H     18.87126735      5.02547054    -10.76290812
  O     16.59952920      7.76927072    -14.79486757
  H     15.65407093     10.36633350    -13.42741986
  H     17.90393135      5.75772397    -11.72500890
  O     12.75164050      9.06875247    -13.90062019
  H     16.37959134      9.48603072    -14.44427520
  H     16.94394975      7.78630749    -18.51970434
  O     12.43844008      6.34781995    -13.07010379
  H     17.44569659      5.72608389    -17.45949849
  H     16.59700646      6.79073202    -19.65384025
  O     18.88106809     11.10141415    -14.32450580
  H     18.47002366      5.87588489    -16.31820606
  H     14.73415475      8.76642287    -11.80183389
  O     18.55146034      5.88965198    -11.00951081
  H     15.90995182      7.32086943    -10.12766286
  H     15.41638705     10.05077187    -11.30604778
  O     16.59310096      6.89455160    -18.70678257
  H     17.41830650      7.02911196     -9.99831479
  H     15.69110557     10.83686353    -15.94969329
  O     14.74571957      9.72782690    -11.91824619
  H     19.54217462      8.14549112    -15.93041936
  H     14.55711002     10.42016952    -16.88838526
  O     15.43772486     10.81211808    -16.88264518
  H     19.53201877      7.40781711    -14.56150003
  H     14.08647483      7.88883990    -16.80191786
  O     14.65351649      7.11162712    -16.71661203
  H     16.56729228      2.87448561    -15.12311347
  H     15.20836976      7.03936070    -17.50359549
          69
 Energy    -249.28024427313574     
  O     11.20578122      9.29744620     -9.30463285
  H     11.83658796      9.57907860     -8.63203414
  H     13.17614071     12.37897974    -14.26983303
  O     13.25511956      9.40932951    -17.31642222
  H     11.02190871     10.08875983     -9.83065269
  H     17.40372177     10.19000749    -10.65708002
  O     11.69116457      7.28249969    -11.03440736
  H     13.58820556      9.42897554    -18.20951258
  H     17.03259504      9.51234954    -11.99919572
  O     14.30151822      8.71135855    -14.81876790
  H     12.79400813     10.25566652    -17.17242283
  H     16.77355016      7.35158709    -13.25764065
  O     11.80435485     11.65711746    -16.85011842
  H     11.47583671      7.97981630    -10.38773167
  H     15.54560656      8.20251042    -13.64659004
  O     11.84675318      8.45711627    -13.59120081
  H     11.17664971      6.51619237    -10.79560828
  H     11.91006574     13.27555604    -11.41255055
  O     15.26263136      8.51508361     -8.13423978
  H     13.46192754      8.58256995    -14.34972474
  H     13.23578066     14.06903244    -11.43308864
  O     13.86031179     10.58583993    -11.18752644
  H     14.07460153      8.88970743    -15.74003059
  H     13.53831479      7.50819437    -10.88529069
  O     13.16633156     10.36009410     -7.50058110
  H     10.89584691     11.36422705    -16.71002456
  H     14.98073271      7.75217143    -11.47207663
  O     15.05156010     14.14499204    -10.68497760
  H     12.01257124     12.24219778    -16.10915172
  H     15.88350401     12.38220183    -13.10723419
  O     11.23051544     11.48312224    -11.02646253
  H     11.41677195      9.32364123    -13.54768420
  H     16.97838956     11.93698304    -12.14027351
  O     12.36634682     12.89825599    -14.39226474
  H     11.72763441      8.02662440    -12.73722015
  H     11.16398079     11.62304301    -13.92610071
  O     17.50103786     10.26009320    -11.61465403
  H     14.51014419      9.00727665     -7.78429402
  H      9.95861762     10.78331843    -14.41372254
  O     16.12143409      7.95294828    -12.90503845
  H     14.97829098      8.17041758     -8.99337496
  H     15.74066023     11.57240090     -8.89745710
  O     12.36987346     14.00271979    -11.85092236
  H     14.26315463     11.08864681    -10.46879092
  H     14.95485434     12.81408740     -9.45115155
  O     14.41305260      7.87215125    -10.69952106
  H     14.02064809      9.65308973    -10.99930372
  H     14.52969063     10.47084547    -14.25530026
  O     16.50265049     12.72168089    -12.44804529
  H     12.91046627     10.76934506     -6.67712980
  H     14.30146042     11.09272085    -12.85965087
  O     10.54635362     10.92399879    -13.66236562
  H     13.69667595     11.01657773     -7.98215059
  H      9.77860341      9.52859710    -16.23074062
  O     14.86697966     11.98129385     -8.96777614
  H     15.61011060     13.68227761    -11.33711477
  H      8.45837906     10.27577980    -16.54254713
  O     14.50425168     11.30987475    -13.78324260
  H     15.37579636     15.04015807    -10.63175742
  H     17.90439861     10.31496142     -8.19746955
  O      9.31464161     10.37970733    -16.13730702
  H     12.14085066     11.15628891    -11.10532656
  H     16.54657217      9.63008755     -8.49456252
  O     17.14372305     10.34824218     -8.77141982
  H     10.80655396     11.30176890    -11.87650647
  H     11.16378230      8.06860428    -15.31550555
  O     10.89031154      8.15506178    -16.23894205
  H     12.30321230     13.46147634    -13.60841459
  H     11.68146441      8.43340417    -16.71677138
          69
 Energy    -249.28023950587271     
  O     -4.81327192      4.08361042     -2.05505587
  H     -4.33008555      4.55445172     -1.35253810
  H     -6.33295075     -0.65623487      0.34564057
  O     -3.08838476      2.19035917     -3.42038411
  H     -5.24394961      4.74946596     -2.58510692
  H     -5.34802924     -0.27125546      2.50186118
  O     -5.62336902      2.37594777      0.06567715
  H     -2.15738078      2.32987280     -3.20756718
  H     -5.12714580     -0.72306306      3.96431107
  O     -2.83077691     -1.44404117      1.42468000
  H     -3.59297759      2.88188756     -2.97535770
  H     -0.96487384      2.59073770      1.33973403
  O     -0.29170407     -0.40252892     -1.51014007
  H     -4.85898847      1.77753625      0.03965642
  H     -1.43906510      2.16138445      2.74294269
  O     -4.01200847     -0.26332918     -2.74620091
  H     -5.53928790      2.93474792     -0.71605176
  H     -1.20770425      2.86569447     -0.99074439
  O     -3.70729200     -3.06236774     -0.63414855
  H     -1.90733283     -1.17953693      1.54319780
  H     -2.35201779      2.24042701     -0.16711443
  O     -2.04948724     -2.29633669     -2.62026766
  H     -3.35105534     -1.13845820      2.17813344
  H      3.18590824     -0.65420398      2.15670760
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  H      2.44515546      0.56983383      1.56361730
  O     -0.28336829     -0.41764343      1.32533032
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  O     -6.43104565     -0.09586342      1.12548517
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  H     -2.75149089      4.49202732     -0.00445480
  O     -6.02650083     -1.51647375     -1.33585837
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  H     -3.91372907      4.94869910      0.89082521
  O     -3.40208305      0.77913636     -0.20961069
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  H     -5.26813940      3.40181639      1.50342887
  O     -3.46877983      5.14163174      0.05786976
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  O     -4.94963771      3.95661042      2.23499697
  H      1.58136576     -0.28537650     -1.51862942
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  H     -6.39090498      0.80995859      0.79156817
  H      2.99290427      3.11881049     -1.77546346
          69
 Energy    -249.27995238572299     
  O      0.95441461      0.10959848      2.74692347
  H      1.43310418     -0.01928336      1.91856839
  H     -2.50828789     -0.13882437      3.42070597
  O     -3.04528943      0.11337176     -3.54512595
  H      1.14826344      0.99600544      3.08045251
  H     -1.03828926      3.60601901      1.63887156
  O     -0.37303587     -1.49787685      4.67778337
  H     -2.25093647      0.46538399     -3.10701923
  H      0.37320289      3.37734453      2.20771414
  O     -4.53455121     -0.24078843     -1.15810544
  H     -3.11063321      0.55280797     -4.38895430
  H     -2.00607477      1.44636610     -0.73078172
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  H      0.18040011     -0.97764721      4.07866083
  H     -3.42771046      0.97000968     -0.37293026
  O     -0.01256112     -1.70521271     -1.09884910
  H     -1.18657486     -0.99677171      4.80141317
  H     -1.97835627      0.47366428      1.22249847
  O     -2.92876362      3.10132380      2.18863448
  H     -4.23413748     -1.12939092     -0.91455849
  H     -0.74845959      0.07695806      2.12140342
  O     -3.79549546     -2.79950160      3.79055907
  H     -4.21104192     -0.08298119     -2.05339708
  H     -4.40082219     -2.97584753      0.22730627
  O      1.10616593      2.67259822      3.83225000
  H     -2.69690957     -2.75977953     -2.08816193
  H     -2.87217400     -2.84709916      0.09821069
  O     -0.86296054      0.83986907     -2.04979319
  H     -2.44490428     -1.71852887     -3.19184398
  H      1.36778028     -0.82004591     -0.32749726
  O     -5.04024316      1.53971716      3.37648761
  H     -0.36724195     -2.11169606     -0.29498027
  H      2.87818554     -0.58496855     -0.12679035
  O     -2.94064931     -0.10443032      4.29175678
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  H     -1.94878280      2.74001004      3.71594664
  O     -0.10858847      3.56607985      1.39337152
  H     -2.87349589      2.65846662      1.32837127
  H     -1.91632261      1.55829246      4.68530805
  O     -2.69744424      1.52119848     -0.06116923
  H     -3.71345020      2.72495582      2.60668861
  H      0.65468031      2.79607395     -0.06092843
  O     -1.65863871     -0.14999538      1.88510260
  H     -3.58299208     -1.90362480      4.07830641
  H      1.48640626      1.53334842     -0.40074852
  O     -3.69598713     -2.79983347     -0.40822330
  H     -2.95962053     -3.28089179      3.77666570
  H     -0.79168520     -3.08481788      4.06924229
  O      2.01763231     -0.29535541      0.16836091
  H      1.61295812      3.17050690      4.46747019
  H     -0.74925408     -4.63244750      4.08883476
  O     -1.48940013      2.39953989      4.49752818
  H      0.20009793      2.59789089      4.18555206
  H     -1.22207965     -3.26982185      1.87872918
  O      1.03169773      2.28605654     -0.79370145
  H     -0.17570718      1.46024467     -1.76137527
  H     -1.52176394     -1.82515789      1.40516612
  O     -1.15152225     -3.88761726      3.65081588
  H     -0.59929183     -0.03047475     -1.72308206
  H     -6.24036377     -3.57031337      1.95227909
  O     -1.35380994     -2.72922697      1.09265078
  H     -5.83138039      1.89329555      3.77488949
  H     -4.93005023     -2.94341315      2.48693931
  O     -5.54353322     -2.95841110      1.73047182
  H     -5.32888712      0.96252400      2.64631902
  H     -5.50821715     -0.04718100      0.45518439
  O     -5.77046182     -0.13705715      1.37963851
  H     -3.73123111      0.43541670      4.16039956
  H     -5.78604961     -1.08707287      1.54909498
          69
 Energy    -249.27990477691898     
  O     17.06556388     10.73682320    -14.64651805
  H     17.43082264     10.05831699    -15.23148384
  H     17.46317882      3.84101397    -15.26382210
  O     20.78915779      7.83118699    -15.43477292
  H     16.14547097     10.49051857    -14.49649419
  H     15.61638519      9.12809788    -11.52288302
  O     17.92429576      7.45489140     -9.37428168
  H     20.57044237      6.97346893    -15.03065272
  H     14.41665653      9.46750035    -12.41096962
  O     14.38406149      9.75805661    -14.30024881
  H     21.62514663      7.72282744    -15.88091820
  H     17.63141945      7.82848092    -12.83913194
  O     13.55978562      6.59343948    -11.46469142
  H     17.15121484      7.87657328     -8.97016819
  H     17.70102576      7.68810819    -14.38449010
  O     20.76011280      4.53017553    -11.76953678
  H     17.59095486      6.61930452     -9.73167144
  H     19.65534866      7.22087992    -10.17549857
  O     16.56664125      5.20562888    -10.42137226
  H     13.63485712     10.15743406    -14.73592828
  H     20.49233257      7.70514560    -11.40159313
  O     19.84186830      5.60585567    -14.17275824
  H     14.48143988      8.86808369    -14.68104770
  H     17.15089017      5.67636349    -16.75913126
  O     18.20169326      3.30600986    -11.67110344
  H     14.10187614      6.14412832    -12.12410947
  H     16.57658188      6.17344814    -18.10766640
  O     16.60238356      2.99302840    -13.81618291
  H     13.85359450      7.51640067    -11.47696805
  H     15.01081490      8.81670756     -9.53752747
  O     18.12480153      8.54046988    -15.99302246
  H     20.64080285      5.40694540    -11.35681390
  H     14.93455538      7.55027358     -8.67448835
  O     17.94107191      4.42194099    -15.86789962
  H     21.57832817      4.17644520    -11.43301750
  H     20.15782756      9.75904911    -12.73491649
  O     14.64734969      9.16199616    -11.52560842
  H     15.81689767      5.27242947     -9.81497162
  H     20.77122155      8.67756052    -13.64390027
  O     17.66287522      7.18582017    -13.56112399
  H     16.21059522      5.37943350    -11.30108761
  H     18.21412712     11.06752385    -13.38998410
  O     20.36906899      6.97725932    -10.77493265
  H     19.09563011      6.12488002    -13.83152164
  H     18.95826119     12.06135455    -12.46262154
  O     16.72902176      6.43399038    -17.20330304
  H     20.24472113      5.16415737    -13.41592497
  H     16.30947386      6.09831328    -13.33408477
  O     15.38040456      8.40368302     -8.74884666
  H     17.69786081      3.87992852    -11.07804857
  H     15.80701891      4.62024723    -13.42957121
  O     20.68912565      8.95349766    -12.72528027
  H     19.10347108      3.64823677    -11.67533634
  H     14.82948958      6.57177215    -14.62523814
  O     18.85014588     11.13413796    -12.65413693
  H     17.22412725      3.03355146    -13.06598504
  H     15.32484814      6.98237127    -16.02117077
  O     15.55623992      5.51109767    -13.15485802
  H     16.22044297      2.11968182    -13.81071811
  H     13.51048284      5.35104503     -8.50451427
  O     14.71720150      7.23486984    -15.31572091
  H     17.70870730      7.86741162    -16.54706129
  H     13.86172392      6.03437379     -9.85091731
  O     14.21911801      5.77316260     -8.98158954
  H     19.07200260      8.35420846    -15.94589615
  H     17.70017743      8.58882137    -10.75901482
  O     17.38816828      9.02880443    -11.56089625
  H     18.70304644      4.74257850    -15.36714194
  H     17.93960374      9.79653689    -11.75056274
          69
 Energy    -249.27988733979728     
  O     -2.76230964      3.83843287      3.74868807
  H     -2.73429336      2.86922891      3.78434724
  H     -2.45153034      2.98231493      0.04507947
  O      0.44250529      4.79170802      1.02151695
  H     -3.68615359      4.07719046      3.88234784
  H     -6.02504212      3.29506592      0.22624156
  O     -0.55329533     -0.18315403      2.75303968
  H      1.05319777      5.39812386      0.61144070
  H     -5.90030487      2.12941006     -0.81531439
  O     -4.69179890     -1.50237216     -1.38527808
  H      0.78459053      3.89480729      0.85743242
  H      0.82952526      1.53918964      0.40177442
  O     -2.05707597     -2.04339282     -0.66079106
  H     -0.52941566      0.00098812      1.80231965
  H      1.50800604      1.96975966      1.71861344
  O     -4.39134085      0.98238226      1.39507919
  H      0.15773821      0.33513489      3.14988408
  H     -6.04765047      3.35835833      3.92509634
  O     -7.64482846      0.60155979      1.65147879
  H     -5.27014401     -1.92738288     -2.01470409
  H     -6.09129742      4.85450740      4.29575624
  O     -2.84236131      1.11451213      3.63723394
  H     -5.16443576     -1.49774637     -0.53435210
  H     -1.41772745      4.73011639      0.95061808
  O     -4.71376076      1.37204582     -2.01147797
  H     -1.74514307     -2.76235893     -1.20645723
  H     -2.47769827      4.27355474      1.98013653
  O     -5.87457153     -1.39425660      1.05825513
  H     -2.95509767     -1.83612010     -0.96360498
  H     -4.23954235      4.76471097      0.87967411
  O     -4.77159792     -2.58868613      3.33670694
  H     -5.06639321      1.57022399      1.02786438
  H     -5.35448553      4.59618502      1.93143680
  O     -2.55625732      2.09722599     -0.32712794
  H     -4.77182310      0.09792819      1.35090614
  H     -5.02924849     -0.99825726      4.35826385
  O     -6.34664327      2.41087795     -0.00422326
  H     -7.46712730      0.99923195      2.51102549
  H     -4.21599927      0.29572369      4.54138487
  O      1.36137715      2.23809883      0.80304369
  H     -7.37715392      1.26702178      0.99927779
  H      0.21797143      4.41720824      2.90030536
  O     -5.58941515      4.20488794      3.80761318
  H     -2.02147704      0.66101972      3.40980459
  H     -0.89606315      4.04492156      3.90066424
  O     -2.35106175      4.50460553      1.04836408
  H     -3.40494977      1.08829076      2.84629873
  H      0.90332397      2.47884887      3.75421885
  O     -5.19644032      4.69069213      0.98441575
  H     -3.88641220      1.71187951     -1.64385658
  H      2.10338266      1.63434953      4.24369646
  O     -5.06364347     -0.12017492      4.75436675
  H     -4.68522081      0.41957275     -1.86944416
  H     -6.26500010      1.07798422      4.43415551
  O      0.05878428      4.00747210      3.75979376
  H     -5.62672818     -1.88499533      1.85112876
  H     -7.63219808      1.66549078      4.84705111
  O      1.38150998      1.64058130      3.62115483
  H     -6.60032636     -0.78828777      1.27908506
  H     -1.67837275     -1.66139911      2.52720392
  O     -6.91837002      1.76897752      4.22186867
  H     -3.87188627     -2.50826759      2.96988290
  H     -2.25061991     -2.28105961      1.23942082
  O     -2.34086762     -2.28336336      2.19906527
  H     -4.83115769     -3.45412182      3.73233541
  H     -0.93151939     -0.52638474     -0.32173087
  O     -0.54310985      0.29510177     -0.00214658
  H     -3.16624894      1.63247912      0.26618714
  H     -1.20120531      0.98621180     -0.18005507
          69
 Energy    -249.27958631759634     
  O     14.76168335      9.61778894    -10.96080086
  H     14.93638619      9.53745579    -11.90568461
  H     11.01107128      7.66712803     -7.46979654
  O     18.83200251      5.02879883    -10.73443206
  H     15.56386203      9.27287287    -10.53592742
  H     16.76012258      8.58815405     -6.04568194
  O     13.74863331      6.68469011    -13.40097036
  H     19.34931020      5.47385659    -10.05176497
  H     17.89508944      8.73614556     -5.01327837
  O     13.38963159      5.69205391     -9.74929530
  H     18.46927945      5.70831409    -11.31552619
  H     13.24948357      8.46887430    -11.07005249
  O     15.51750129      8.72931914    -13.58085972
  H     13.12755124      7.03608716    -12.74862205
  H     12.72881276      7.06980978    -10.64565221
  O     16.92636833      3.23037594    -10.10465273
  H     14.17919281      5.93056987    -12.97966503
  H     16.48089421      6.16903618    -12.02463631
  O     19.13522466      8.77159561     -8.31453316
  H     12.82861677      5.21097895     -9.12631608
  H     16.77754424      7.49056362    -12.77163587
  O     16.22393857      4.39552055     -7.61807639
  H     14.06340493      6.15410010     -9.22929982
  H     14.51003907      5.12351963    -11.01176105
  O     17.00497172      8.45411488     -9.97094276
  H     14.86229024      8.00891762    -13.62229575
  H     15.72936460      4.21423721    -11.24093391
  O     15.44005592      6.89510150     -8.37421136
  H     15.57324652      9.10034140    -14.45737443
  H     14.60651292      9.47784322     -7.06282053
  O     13.32034507      7.06090984     -5.45555871
  H     17.66730573      3.82730020    -10.31866821
  H     14.38169005      8.32785140     -6.00718242
  O     10.81795629      7.01459007     -6.77340719
  H     17.20948719      2.34784423    -10.32897509
  H     11.46144242      5.33965522     -7.38750915
  O     17.68467096      8.35407715     -5.86235510
  H     19.63508900      7.95243085     -8.42573956
  H     12.61533786      4.37483779     -7.04741635
  O     12.49149833      7.87288114    -11.13778414
  H     18.71356318      8.71236005     -7.44779200
  H     13.75954715     11.43162557     -8.45781160
  O     17.17054123      6.83108003    -12.18800177
  H     16.42558811      3.89211817     -8.41567465
  H     14.13287893     10.25131500     -9.37522661
  O     15.20045042      4.90470432    -11.65638631
  H     15.97969239      5.28906906     -7.90978757
  H     18.16014771      6.53019810     -6.24112254
  O     15.04867937      8.87912442     -6.45022165
  H     17.22338358      7.89376201    -10.72775387
  H     17.74541595      5.15093176     -6.81576129
  O     11.94551312      4.56971433     -7.71422498
  H     17.80635522      8.64398054     -9.46412992
  H     14.87929590      4.26145338     -6.43998714
  O     13.81658394     10.47864841     -8.48583429
  H     15.21631886      7.50210416     -7.65969257
  H     14.25495908      3.66609053     -5.16050589
  O     18.50483130      5.67880029     -6.53814234
  H     16.04026156      7.37619122     -8.96013696
  H     11.61251567      8.51000120     -9.58135637
  O     14.11765426      4.32130186     -5.84050153
  H     13.61943672      6.14510632     -5.50490518
  H     12.18386454      9.44646296     -8.51018073
  O     11.46568007      8.82712567     -8.68084029
  H     12.42750253      7.06993547     -5.82386684
  H     19.66531177      5.92495593     -7.81012989
  O     20.24921026      6.16255932     -8.55329678
  H      9.92761495      7.18537695     -6.47829490
  H     21.12992607      5.88811622     -8.31095704
          69
 Energy    -249.27937760021143     
  O     -0.12322223     -2.48829538      0.10960447
  H      0.54961229     -1.85451183      0.38833251
  H     -3.90546357     -3.19605309      1.28811044
  O     -1.45175182     -0.47041728      7.28133509
  H     -0.89443134     -1.98470005     -0.17927228
  H     -3.01706552     -6.72547117     -0.15738442
  O      2.64130829     -3.00370258      2.67278895
  H     -2.41336194     -0.47927095      7.19729256
  H     -2.35122524     -6.18158557      1.12572729
  O     -0.00275291      0.23088407      3.16259283
  H     -1.16900768     -1.39023957      7.19853605
  H     -0.66184833     -3.36484360      1.66378701
  O     -0.39377151     -5.94885166      6.37341475
  H      2.06185116     -2.80407976      3.41999617
  H     -1.09302919     -4.59732947      2.53405905
  O     -4.23299985     -0.47628243      6.56232097
  H      2.52138037     -2.25912352      2.07443705
  H     -3.62978007     -2.79666486      3.97847130
  O     -0.83826051     -3.13587050      6.57015493
  H     -0.88718966      0.08517020      2.79486702
  H     -2.58537826     -3.01724132      2.86288871
  O     -3.00528898     -5.80507539      5.14399060
  H     -0.11516686      0.75243518      3.96759990
  H      1.14610435     -6.49623476      3.36413895
  O     -3.30334104      1.13722212      4.57240240
  H     -0.11996095     -6.51412366      7.09257063
  H      1.11236898     -7.90547810      3.99508066
  O      1.71587225     -0.65280749      1.19088187
  H      0.04588145     -6.28510422      5.57649352
  H     -2.57393293     -0.32093406      1.22602702
  O     -1.74939980     -6.35106977      2.78071271
  H     -3.98679391      0.10219897      5.81880941
  H     -2.94500471     -1.01421433      2.55022839
  O     -3.81263667     -3.36328692      0.34008564
  H     -4.99676246     -0.08243162      6.97529976
  H      2.15128703     -4.72572482      2.24990803
  O     -2.59064222     -5.95507022      0.21070020
  H     -0.30754344     -2.79720217      5.83124885
  H      1.28645318     -5.54537870      1.25132022
  O     -0.98438111     -3.63972911      2.53187867
  H     -0.63635374     -4.07581672      6.63061913
  H      0.36600702     -1.36620792      4.05648330
  O     -3.46750769     -2.65167707      3.03929211
  H     -2.21203402     -5.90483876      5.68472174
  H     -0.01118210     -2.82771263      3.73950062
  O      0.70407980     -7.04497025      4.04059298
  H     -3.37345691     -4.94292943      5.37458231
  H     -0.72206618     -5.53617953     -0.20545368
  O     -2.57377202     -0.19738229      2.18173977
  H     -2.43135353      1.40742500      4.88543927
  H      0.17310664     -4.29043962     -0.28870373
  O      1.76214131     -5.59627484      2.09147017
  H     -3.16815153      0.79728870      3.67872983
  H     -0.25977687      2.19935084      6.08415694
  O      0.48848762     -2.27317171      4.36105222
  H      2.25751346      0.05126235      0.84304086
  H     -0.84462931      0.77442092      6.22118905
  O      0.19921776     -5.25379503     -0.20836568
  H      1.16858967     -0.26324084      1.89303673
  H     -2.60777031     -3.09175699      6.05488850
  O     -0.62527906      1.47615852      5.58181640
  H     -0.93267925     -6.73404973      3.12009930
  H     -3.90885182     -2.25738387      6.10435269
  O     -3.53828771     -3.08942886      5.78559495
  H     -2.31762677     -6.17773364      3.54778216
  H     -2.88419050     -0.81486877     -1.32297103
  O     -2.53124568     -1.14325754     -0.50071781
  H     -3.43014292     -4.24473461      0.25251722
  H     -3.04356365     -1.94170660     -0.27278943
          69
 Energy    -249.27928926142175     
  O     15.59712693      9.70745236    -16.88970733
  H     16.17801223      9.09904535    -17.37801816
  H     21.07736375      4.94386754    -15.03328556
  O     13.90818188      3.18796476    -16.23161254
  H     15.36088933     10.40229317    -17.50007900
  H     18.08849698      6.96228617    -15.82278765
  O     17.16637428      6.51115402    -11.40129678
  H     13.13929688      2.77438642    -16.61595618
  H     19.20650693      7.99748337    -15.48155310
  O     16.40638125      5.37023592    -18.93466739
  H     13.94534466      4.09811688    -16.58139223
  H     15.76489683      6.03414035    -15.91251181
  O     12.61085192      6.76938744    -10.66384309
  H     18.09306872      6.65451383    -11.63712421
  H     16.88524720      5.32658214    -15.10019236
  O     13.93282897      4.38457728    -13.68015071
  H     16.64656357      7.07563003    -11.99279302
  H     13.21564024      7.87700634    -15.19811945
  O     15.73481455      7.87436205    -13.29793573
  H     16.46056850      5.02971555    -19.82399058
  H     14.08730634      8.67796916    -16.22073521
  O     17.77593604      3.77643683    -14.68517547
  H     16.57232243      4.61733511    -18.33986902
  H     13.99657936      3.35785075    -10.45049175
  O     12.56028999      3.95648641    -11.27269868
  H     12.13751864      7.28400006    -10.01560599
  H     14.77684466      2.43122822     -9.48656342
  O     19.51663721      9.28274192    -14.20660247
  H     13.48654866      6.57808372    -10.28207808
  H     14.86616265      5.78113380    -17.87688643
  O     16.62473358      3.26253512    -17.18789745
  H     13.92526747      3.87609773    -14.49915479
  H     13.89639279      6.55808543    -16.88821234
  O     20.21620588      5.18410243    -14.70030931
  H     14.80514251      4.27974658    -13.27673452
  H     19.63895095      7.80761701    -12.97608806
  O     18.98727906      7.24808919    -16.05241470
  H     16.05505418      7.30799055    -14.01700303
  H     19.92911734      6.30482201    -13.12082295
  O     16.51630599      6.19005033    -15.32954253
  H     14.78439674      7.71549453    -13.24357622
  H     16.69477567      4.87607100    -11.99815917
  O     13.37009638      8.03779175    -16.13748485
  H     18.66911298      4.13085427    -14.58953588
  H     15.97226430      3.57946891    -11.55436801
  O     14.87741140      3.17102006    -10.07894180
  H     17.37835914      3.71115365    -13.80510017
  H     15.04056839      5.06341081     -9.63092753
  O     14.29326127      5.70101158    -17.10589301
  H     12.89729454      4.00904944    -12.17843552
  H     15.83917121      6.28319244    -10.12196063
  O     19.65209426      6.97552069    -12.48663759
  H     12.39050794      4.87026329    -11.01272888
  H     13.35656249      6.13742195    -13.61146392
  O     16.37945477      4.01537990    -12.31283696
  H     18.61188799      9.64256900    -14.25298869
  H     12.81115715      7.07180677    -12.51143539
  O     15.03080623      6.02743981     -9.65700266
  H     20.10678556     10.02928645    -14.15286309
  H     16.52061069     10.06398396    -15.28878045
  O     13.10788091      7.05633892    -13.43030610
  H     17.13904157      3.32023273    -16.37147322
  H     16.48639840      9.41184584    -13.89933097
  O     16.95982186     10.06923028    -14.42972519
  H     15.72885878      3.04413745    -16.90342722
  H     17.01799214      7.10861132    -18.50900171
  O     17.28466629      7.97608467    -18.18087835
  H     19.87681359      5.88827603    -15.27871930
  H     18.03847398      7.80994167    -17.60040772
          69
 Energy    -249.27910050718464     
  O     14.82708086     10.26491934    -14.05458109
  H     15.35250562     10.17031074    -14.87009087
  H     15.24700146     13.17288620    -15.26395740
  O     18.89360214     14.28398164    -17.65138604
  H     14.10324567      9.64760216    -14.11945200
  H     16.41924080     11.16853402    -16.50568815
  O     19.04960601      9.23960915    -13.47054675
  H     19.36790196     13.44230498    -17.51610863
  H     17.25513201      9.89120385    -16.33453680
  O     18.93918078     14.60328994    -10.88879565
  H     19.03154925     14.53492317    -18.56078163
  H     22.50728805     15.96737717    -13.50509744
  O     15.15622931     14.98643232    -12.68953752
  H     19.72614561      9.93328037    -13.39588475
  H     21.13396532     16.32722158    -14.10662308
  O     18.98438957     10.01924947    -10.45486792
  H     18.25589767      9.60812008    -13.06822997
  H     19.92843114     13.07167587    -10.76451935
  O     16.46615691     13.15178787    -10.93116468
  H     18.60420776     14.83398747    -11.76696048
  H     20.03322743     11.53813142    -10.48159471
  O     19.10156227      9.46661492    -16.21269268
  H     19.62492152     15.25500786    -10.69578709
  H     16.60338852     11.57083808    -11.66382097
  O     21.76788833     13.32029815    -15.05879114
  H     14.88653721     14.33125306    -13.35885121
  H     16.05026086     10.53340510    -12.70701273
  O     21.10932139     16.39177343    -10.76421317
  H     14.41949721     15.57878532    -12.56899384
  H     19.88073756     11.16406600    -16.74479778
  O     20.68042914     11.44810782    -13.37156910
  H     18.14600846     10.25451366    -10.87495033
  H     20.89503634     12.29874007    -16.41663248
  O     14.60807896     13.10661705    -14.54027395
  H     19.33610060      9.31353689    -11.00135489
  H     23.43761865     14.25535446    -12.54870731
  O     16.35259881     10.22793231    -16.29024638
  H     17.27725841     13.62057210    -10.69883923
  H     24.68733987     14.50980185    -13.42605460
  O     21.75386069     16.56237468    -13.40476712
  H     15.93139294     13.78519616    -11.42628596
  H     19.55358545     15.19700522    -16.11626483
  O     20.53423613     12.31679321    -10.75905195
  H     19.08752353      9.31429793    -15.25317907
  H     19.17600167     15.43635617    -14.63148760
  O     16.81655331     10.76554575    -12.16647412
  H     19.46426541      8.67654515    -16.60723689
  H     22.27155503     14.85349201    -10.75255849
  O     20.22788102     12.00890897    -17.05245811
  H     21.13395416     14.05065235    -15.10269294
  H     22.10104449     13.32713037    -10.80984272
  O     23.73517005     14.47505771    -13.45041346
  H     22.54769691     13.66160529    -14.60291726
  H     17.62444879     11.91205603    -13.38008130
  O     19.91689355     15.43683973    -15.25523435
  H     21.29169594     16.52666741    -11.71165174
  H     19.06318837     12.14201472    -13.88525556
  O     22.73708165     14.03669233    -10.97144335
  H     21.27464587     17.22477862    -10.33091907
  H     17.33748349     13.52081964    -16.88076861
  O     18.15183148     12.44082026    -13.99120061
  H     20.71769208     11.77740711    -12.46206955
  H     17.29387094     12.75360003    -15.54400470
  O     16.76113715     12.99131376    -16.32012077
  H     21.17815506     12.05691720    -13.93205865
  H     16.94041484     15.25345749    -13.22816176
  O     17.87299421     15.10169950    -13.42256383
  H     14.54187942     12.16816339    -14.33232362
  H     17.95620752     14.15388814    -13.61787956
          69
 Energy    -249.27799668410762     
  O     14.66075220      3.75737492    -10.27525035
  H     14.48119401      2.82187779    -10.11604852
  H     16.91656154      5.03884417    -15.45611717
  O     12.50499718      4.61115038    -11.87956293
  H     13.91149681      4.10048555    -10.78128413
  H     13.85903814      9.37005735     -9.63601441
  O     16.94741802      3.53197861    -11.85182999
  H     13.01548154      4.89892189    -12.65320803
  H     13.54994617     10.82174303     -9.19698636
  O     18.31917794      7.51878771    -13.82456097
  H     12.01640880      5.39080889    -11.59369157
  H     14.78985117      7.29432895    -11.05124717
  O     12.72797088      1.88473539    -12.58121262
  H     17.47170271      4.32539515    -11.68121181
  H     15.67655010      7.92556696    -12.16270784
  O     14.21512256      0.97516914    -10.30143439
  H     16.14803030      3.62296276    -11.31225515
  H     14.14658383      6.96498356     -9.01843595
  O     16.58431553      9.37709503    -12.81596659
  H     18.02178334      6.94482227    -14.54003185
  H     12.86771791      7.30198116     -9.89287545
  O     16.76019899      9.63644114    -10.05387772
  H     18.36424733      6.96801177    -13.03164409
  H     13.89533950      1.57899590    -13.84777173
  O     14.16526067      5.56470981    -13.80700405
  H     13.07494641      1.50001628    -11.76672083
  H     14.27762806      0.78698352    -15.11955899
  O     14.39449066      9.79380629    -14.54559955
  H     12.48424647      2.79344349    -12.36143324
  H     11.86270756      7.88240121    -11.65058892
  O     14.85457859      7.42389855    -15.76319598
  H     14.19271832      0.25336341     -9.67959029
  H     10.53796117      7.36695196    -11.04754381
  O     17.26497405      5.83267951    -15.89384274
  H     14.96958407      0.81445917    -10.89640573
  H     16.94183932      6.34393461    -11.59647638
  O     13.97745290     10.30747556     -9.87731789
  H     17.24401741      8.83100340    -13.27220877
  H     18.04563479      6.44367051    -10.54262720
  O     15.30332469      7.09265007    -11.84093749
  H     15.91954265      9.65328118    -13.45717006
  H     15.65325337      2.91299170    -14.63281267
  O     13.68093511      7.65472499     -9.51482760
  H     15.87766865      9.98869080     -9.89283373
  H     16.51646545      3.66508350    -13.58719392
  O     14.62406815      1.38788319    -14.46544032
  H     16.85544015      9.64961315    -11.01692993
  H     15.78975239      0.87286727    -12.98338298
  O     11.45549843      7.13777736    -11.17204799
  H     14.81424190      4.89826947    -14.06673885
  H     16.68406217      1.66727926    -12.01447652
  O     17.85816475      6.08015335    -11.41626024
  H     14.57842973      6.12081345    -13.12593721
  H     16.16745285      6.18911663     -8.57981698
  O     16.16033832      3.72176151    -14.48678931
  H     14.54821930      8.97069570    -15.04308611
  H     15.20557761      5.03525199     -9.01006228
  O     16.22972473      0.82053558    -12.12610649
  H     14.20721143     10.47215771    -15.18914660
  H     17.37566739      8.17493446     -9.29138479
  O     15.30013900      5.79667695     -8.42197430
  H     14.42088912      6.79267327    -15.17178634
  H     18.31907517      7.57570448     -8.22550432
  O     17.71202628      7.33880083     -8.92170458
  H     15.71118928      7.02637272    -15.95449549
  H     13.21330342      9.46901045    -13.07281165
  O     12.68513759      9.32368844    -12.27935295
  H     17.78822807      5.52834436    -16.63170059
  H     13.12980786      9.80076565    -11.56782131
          69
 Energy    -249.27742723911223     
  O     13.91035978      4.42751898    -10.28702165
  H     14.18206468      5.09563534     -9.64767052
  H     17.46149915      9.02372331    -12.21094250
  O     14.52085819      9.84432510    -15.68278819
  H     14.67030129      4.28406419    -10.86688749
  H     13.97980709      8.05577830    -11.28457347
  O     18.10942104      9.12361956    -13.88995159
  H     14.10929874     10.20692651    -16.46397529
  H     15.36096283      8.39578307    -11.91128058
  O     15.74855385     11.37070391    -11.24889378
  H     13.84122491      9.83187896    -14.98979908
  H     10.98183036      3.69103870    -11.10638492
  O     10.63281847      7.92524029    -13.70745272
  H     18.95030160      8.65208139    -13.84996002
  H     12.33454805      4.42774688    -10.96985359
  O     18.44174554      3.77678412    -13.41530048
  H     17.49967401      8.57142096    -14.40066570
  H     20.08217913      6.88083720    -12.90768384
  O     11.93144339      5.58073947    -13.94047844
  H     15.90295151     11.49843083    -12.19833504
  H     21.25458841      7.53209629    -13.68043202
  O     17.14194754      6.47241871    -10.25456705
  H     14.79484648     11.33782398    -11.12665232
  H     14.55873604      6.67737818    -13.17568660
  O     12.86708979     10.97237405    -11.03874672
  H      9.80577181      7.88729705    -14.17980507
  H     15.20499828      5.28573147    -13.24713429
  O     18.50746917      5.79852196    -15.23145157
  H     11.08876052      7.07807416    -13.86944946
  H     17.09609704     10.73440449    -13.98071747
  O     12.78592261      9.66748973    -13.52622502
  H     18.81684714      2.98528179    -13.79120798
  H     15.72349865     10.96487105    -14.61367110
  O     16.98931629      8.95740738    -11.36980099
  H     18.42623979      4.44539704    -14.12356847
  H     15.68989259      8.31768325    -15.59464433
  O     14.47462949      8.06744325    -12.11288511
  H     12.89426112      5.61891748    -14.01559995
  H     15.71946464      6.95167225    -14.86810785
  O     11.44626502      4.48167595    -11.36673724
  H     11.74806481      5.10076061    -13.12244211
  H     19.23354603      4.99975582    -12.14641560
  O     20.30882142      7.41421329    -13.69061384
  H     17.15956085      7.37512461    -10.60984656
  H     18.81794378      5.99965322    -11.04517518
  O     14.70655927      5.92528052    -13.77136961
  H     16.44617046      6.46955519     -9.58785001
  H     11.01499153      6.27031293    -10.99586370
  O     16.34234236     11.33991932    -13.97829328
  H     12.26922823     11.71053419    -10.94391434
  H     10.71589681      7.54653904    -11.80011212
  O     16.27064869      7.58874640    -15.34641483
  H     12.76167696     10.64425190    -11.94564263
  H     16.91832359      4.07029811    -12.42248935
  O     19.52732652      5.78193479    -11.66254773
  H     19.18815208      6.37221487    -14.85673948
  H     16.53486704      5.16197818    -11.38772793
  O     10.90714824      7.22693538    -10.91107738
  H     17.75762927      6.36954361    -15.43787711
  H     14.75661607      6.61600757     -7.65347128
  O     16.17654303      4.44503842    -11.93231818
  H     13.43118875      9.09899181    -13.07336200
  H     14.18700314      7.28115033     -8.92375387
  O     14.79020870      6.58873864     -8.60702167
  H     11.98442281      9.13920648    -13.64219334
  H     12.23395359      7.99270237    -10.06236755
  O     13.05075677      8.41151284     -9.74265356
  H     16.63222439      9.83616398    -11.17009496
  H     13.00234385      9.34425809     -9.98240129
          69
 Energy    -249.27690727463778     
  O     11.99739205     10.17050589    -15.04338610
  H     12.39218544      9.55075872    -15.67605081
  H     21.06956626      9.55365222    -13.94300704
  O     16.52343097      6.71601653    -13.36964055
  H     12.58686297     10.93040464    -15.01649676
  H     14.54836707      8.61979294    -15.09762969
  O     16.90348607     10.68602144    -11.22742379
  H     17.23605893      7.22175108    -12.95422760
  H     15.67112744      8.10294679    -14.13423398
  O     16.48519333     11.01170038    -15.58352319
  H     15.83558851      6.60656934    -12.69870680
  H     11.40926120      9.13464230    -13.77814566
  O     13.47341705      5.58117248    -16.04525607
  H     16.03185229     10.75527672    -11.64253036
  H     10.16514347      8.46537196    -13.15083142
  O     13.65357497      9.32625174     -8.41066549
  H     16.75199169     10.50312930    -10.29230190
  H     16.68921453      8.08292706     -9.30377996
  O     14.56854353      6.74885474    -11.36728505
  H     17.08263762     11.37343761    -14.90906480
  H     17.47079193      7.49979440    -10.48906796
  O     14.48480415     10.73185091    -12.56970273
  H     16.09678833     10.20627590    -15.20275003
  H     12.17350954      6.93151655    -13.39437002
  O     17.53696058      7.38812028    -17.75313440
  H     12.96025932      4.83530770    -16.34384554
  H     13.37750672      6.21184937    -12.74918100
  O     18.79745881      9.31458157    -16.14315045
  H     13.21996658      5.74313189    -15.11796549
  H     17.80422784     11.48978688    -12.68113213
  O     16.30709194      5.78280957    -15.98034964
  H     13.30482866      9.24094234     -9.31266713
  H     18.96046730     11.07867940    -13.60322730
  O     20.12706020      9.52512448    -13.80372180
  H     13.13523213      8.73327004     -7.87188416
  H     19.01896403      8.66787518    -12.57239017
  O     15.19626633      8.88712168    -14.43436416
  H     14.02333323      7.53366048    -11.22908561
  H     17.79831457      9.16220652    -11.76569782
  O     11.11695631      8.49708385    -13.10220945
  H     15.30205806      6.81887480    -10.73761848
  H     15.37020574      9.70713208     -8.47772415
  O     16.80326217      7.28040924     -9.82623965
  H     14.24447537     11.46156297    -13.14950822
  H     16.65737734     10.16773464     -7.75534081
  O     12.77881225      6.18846314    -13.50578030
  H     14.70415486      9.99733196    -13.16772362
  H     16.25180266      8.74804348    -17.93803221
  O     18.19841292     11.66763999    -13.54526568
  H     17.90032035      6.85248028    -18.45284210
  H     15.90407777     10.12378825    -17.33248295
  O     18.28968395      8.36674641    -12.01708769
  H     17.11016667      6.77889805    -17.12361186
  H     12.19423844      8.85116874    -11.64160357
  O     16.32554440      9.84979633     -8.59118903
  H     18.08180731      9.95642975    -16.08177688
  H     13.44970248      9.73740007    -11.50919954
  O     15.55872636      9.42091100    -17.89259253
  H     18.46505368      8.60107375    -16.70167501
  H     13.97553775     13.17990114    -15.21387693
  O     12.92820946      9.06151594    -11.05133041
  H     15.35813860      5.62379287    -16.04685342
  H     14.88944504     11.93940465    -15.23511322
  O     14.04405010     12.27983142    -14.90389739
  H     16.47955713      5.98556395    -15.05043662
  H     13.41157269      7.38696952    -16.54900817
  O     13.41932167      8.35119666    -16.54301601
  H     19.71814373      9.37594226    -14.67559009
  H     14.10615783      8.66797957    -17.14931544
          69
 Energy    -249.27670838085237     
  O     11.65495429      9.99103935    -11.12402304
  H     11.97158558     10.55445377    -11.84015261
  H     14.60461538      5.11318745    -17.69028747
  O     13.94705274      7.02994709    -14.79631526
  H     11.23795959      9.23107698    -11.54956572
  H     17.63777250      6.44099772    -15.32564381
  O     17.75469700     11.19098809    -11.51048116
  H     14.22522982      6.51449047    -15.56177678
  H     16.71049329      6.11510163    -16.52255381
  O     17.70918374      8.87984790    -17.59075627
  H     14.64047075      7.68319155    -14.61217655
  H     14.75615567     12.99686236    -15.89005000
  O     11.89565932      8.86123662    -14.75810421
  H     18.07740993     10.51844976    -10.89712963
  H     15.51503462     11.68412407    -15.59968413
  O     16.39902346      7.49741991     -9.75387345
  H     16.80709300     11.02370390    -11.60957228
  H     16.25907620      9.42882949    -14.66252707
  O     13.44204357      6.39287218    -12.17730482
  H     17.72478666      8.02931702    -17.11513089
  H     15.63189417      9.30987185    -13.24938146
  O     15.12625231     10.37793697    -11.90541788
  H     18.38436636      8.83016864    -18.26230665
  H     19.35383900      8.50174172    -11.68566652
  O     14.96148138      8.21323334    -18.22192792
  H     12.60323763      8.20911688    -14.87997738
  H     19.50159291      9.11936039    -13.08846057
  O     16.01735877      5.33971751    -11.61305403
  H     11.32433268      8.48086104    -14.08215829
  H     10.16871636      6.94343302    -12.19843707
  O     17.04860305     10.74686475    -15.65714614
  H     16.32291211      6.70705743    -10.30082843
  H     11.70622628      7.04111283    -12.27358352
  O     14.91548011      5.78496861    -17.09046332
  H     15.51860775      7.89500401     -9.74590060
  H     18.62812138     11.09572497    -12.98176324
  O     17.55918373      6.50916136    -16.28516820
  H     14.22344471      5.90364484    -11.89239791
  H     19.87573670     11.51342356    -13.79716931
  O     14.64045424     12.10536923    -15.56930148
  H     13.58504959      6.56981823    -13.12024816
  H     18.34422088      7.11596519    -13.15089477
  O     15.86276652      8.80675624    -14.04184720
  H     14.37641632     10.73674743    -12.39976383
  H     16.91881124      7.42444903    -13.64645577
  O     19.57795407      8.29082222    -12.60197597
  H     14.76198262      9.75462592    -11.26342978
  H     17.84831849      8.44685531     -9.87917565
  O     10.88371812      7.53251682    -12.42792266
  H     14.34579165      8.86601928    -17.85623752
  H     19.10993485      8.95681105     -9.14828498
  O     19.11815960     10.93401726    -13.80979278
  H     15.84944334      8.57159990    -18.11989295
  H     13.67592547     10.78399423    -16.58761509
  O     17.52582693      6.69435289    -13.45219099
  H     16.34255940      4.45110176    -11.49197494
  H     12.61969821      9.68657533    -16.36711011
  O     18.65737487      8.97755192     -9.98726769
  H     16.57848323      5.75208268    -12.29277785
  H     13.69907796      7.77250044    -10.93271186
  O     13.25628041     10.02452625    -17.00789326
  H     17.32067098     10.17529215    -16.38870240
  H     13.05706906      9.06731800    -10.38756390
  O     13.83755865      8.49929309    -10.31028954
  H     17.80699989     10.85493585    -15.06581022
  H     13.48293423     11.59105312    -14.15093465
  O     12.97259815     11.12151953    -13.47946770
  H     14.88283010      6.63393333    -17.57209765
  H     12.59180095     10.35247542    -13.92778022
          69
 Energy    -249.27603547961380     
  O     15.97915116      6.36917998    -13.15931802
  H     15.16256812      6.48411443    -12.65646799
  H     19.44580096      7.21640473    -14.73747159
  O     17.36111934     10.20965053    -11.60284902
  H     16.71550234      6.64826675    -12.59892658
  H     14.78402671     10.35341291    -17.10370031
  O     17.66994378     11.13000268    -16.60762375
  H     16.54080628     10.48384565    -12.03783293
  H     15.85806673     11.38188491    -16.72455303
  O     13.65627010      6.14117972    -16.69723839
  H     17.18924011     10.23986490    -10.65331020
  H     16.94609294      9.07369608    -14.59336159
  O     14.01365661      9.23428635     -9.01985706
  H     17.81468184     10.37049119    -17.18544096
  H     16.02381203      7.87734383    -14.18062799
  O     13.60231364      6.85565927    -11.79594187
  H     18.06660282     10.88789274    -15.76114020
  H     10.70480405     10.06684697    -14.37289121
  O     15.03627743     10.71431423    -13.04481805
  H     13.24027378      6.47175015    -15.88089934
  H     12.15034054     10.60537234    -14.39898379
  O     17.66797464      8.67270072    -18.12574004
  H     13.03709287      5.53348152    -17.09224964
  H     17.48782307      7.12135599    -10.05054982
  O     14.40735314      6.38538383     -9.15041615
  H     13.53168398      9.44473092     -9.83032225
  H     16.99091396      8.11198942     -8.98594581
  O     18.56733350      6.81549329    -16.13632428
  H     14.02055317      8.27101281     -8.95777500
  H     12.24165152      8.06495287    -14.36900373
  O     16.26986151      5.32260378    -15.72391906
  H     13.80045983      6.54980297    -10.90184155
  H     12.83800434      6.90327937    -13.54448561
  O     19.90400974      7.53299426    -13.93582907
  H     13.39517434      7.79715525    -11.71330689
  H     18.30385347     10.22809880    -13.26068356
  O     14.90072440     11.26811044    -16.81810011
  H     15.31916947     10.00225428    -13.64161999
  H     19.14938360      9.23703195    -14.10555069
  O     16.04182215      8.73529531    -14.62473712
  H     14.52322653     11.32639215    -13.58330453
  H     17.84865380      8.42161481    -11.73219626
  O     11.59458895      9.87463917    -14.08522522
  H     16.72694544      8.56702478    -17.90509824
  H     18.80046655      7.41557275    -12.43549659
  O     17.00269788      7.17491503     -9.21636479
  H     17.73765046      8.58841198    -19.07355027
  H     16.76630336     10.55266071     -8.12608980
  O     12.55349720      7.15516239    -14.43161155
  H     15.36122440      6.58321114     -9.16677901
  H     15.66222796      9.80803622     -8.91406880
  O     18.54924526      9.99178898    -14.16445610
  H     14.28076030      5.69392936     -8.50656130
  H     12.29513742      9.67272185    -12.28725816
  O     18.10470498      7.48861260    -11.77015555
  H     18.36479508      7.43324728    -16.84696143
  H     13.76679262      9.98967363    -12.00631113
  O     16.61512430     10.00934909     -8.89494634
  H     17.79725849      6.23396501    -16.05068563
  H     13.83846674     11.75600821    -15.60133000
  O     12.97966317      9.58024489    -11.61561861
  H     16.16316459      5.51744318    -14.78169165
  H     13.08143641     12.92562050    -14.92536492
  O     13.26352544     11.99317996    -14.84878855
  H     15.41430401      5.51389869    -16.12271075
  H     15.40584730      8.59288105    -16.28048105
  O     15.08335766      8.49185841    -17.19178011
  H     20.81530031      7.26637086    -14.01600889
  H     14.54097364      7.69519133    -17.19260527
          69
 Energy    -249.27554825648679     
  O     14.05187750      3.73004568    -16.40944982
  H     14.67210549      3.04291883    -16.68167757
  H     19.22468867      3.49238736    -14.94122408
  O     17.56394648      5.77444908    -11.72291440
  H     14.35248819      4.53822418    -16.84074940
  H     18.67217292      7.54456178    -17.23201747
  O     19.78933246      4.54198841    -17.91525471
  H     18.47115869      5.73429253    -12.04861724
  H     19.59291373      6.26894063    -17.28886454
  O     17.15225668      4.26106512    -18.52669944
  H     17.11667966      6.46139674    -12.24080624
  H     17.99796559      6.18235753    -15.74014950
  O     13.14532314      6.82073159    -10.64446573
  H     18.85688940      4.42552050    -18.17051345
  H     16.90456831      6.36014532    -14.64041532
  O     13.89902130      4.24610902    -13.72255170
  H     20.31387980      4.24997826    -18.65605859
  H     12.49750592      7.96196397    -16.33428040
  O     16.25216538      7.50098274    -13.39272001
  H     16.49536239      4.94203717    -18.34242360
  H     13.33811509      7.47036121    -15.14535854
  O     17.39464328      3.08771291    -14.85146434
  H     16.80411026      3.44197438    -18.15045254
  H     13.92180573      3.26623629    -10.40708942
  O     12.59318175      4.04512611    -11.24643956
  H     12.78193636      7.37755782     -9.96122027
  H     14.55318777      2.25937133     -9.41430468
  O     19.65337020      8.23407207    -14.32968034
  H     14.00657054      6.50373687    -10.31783380
  H     15.94997633      6.00721304    -16.61441523
  O     16.22786522      2.01369869    -17.06462166
  H     13.89196517      4.00025109    -14.65858436
  H     14.60021059      6.70339781    -16.97826437
  O     20.04731351      3.98468138    -15.06666590
  H     14.73406812      3.94859290    -13.34019741
  H     20.11392009      5.13472207    -13.71263221
  O     19.35595180      7.04141727    -16.76378955
  H     15.29011604      7.41625441    -13.40573965
  H     20.94507720      5.60244745    -12.50141113
  O     17.20600614      5.78539501    -15.35569854
  H     16.50240490      8.31942358    -13.84021815
  H     15.81495610      3.09992317    -11.56883617
  O     13.36499970      7.64078972    -16.09940123
  H     17.31437129      4.02950248    -15.07628546
  H     16.73325095      4.21026099    -12.14297673
  O     14.76380860      2.96234875    -10.02220740
  H     17.03454475      2.99640228    -13.95962841
  H     15.32314710      4.78653793     -9.71436327
  O     15.32234331      6.16575614    -17.33815900
  H     12.58973522      4.97834533    -11.00181147
  H     16.29821985      5.81602743    -10.31731075
  O     20.11145379      5.73470427    -12.94705554
  H     12.87109708      4.02139916    -12.17338809
  H     13.31022385      7.04135264    -12.48395713
  O     16.24680917      3.40537619    -12.37533831
  H     19.72905444      7.86845757    -15.22542904
  H     13.64273801      5.99012859    -13.57203205
  O     15.49377090      5.73368202     -9.78925136
  H     19.82091416      7.49017464    -13.74174801
  H     17.45981443     10.52439696    -14.73274359
  O     13.54208863      6.94322049    -13.41554798
  H     16.32979328      1.06774762    -17.12339374
  H     18.21695740      9.17866136    -14.62167881
  O     17.35890427      9.58332378    -14.84908017
  H     16.67917395      2.29884963    -16.25039483
  H     16.42849963      7.82366393    -17.61115415
  O     17.14772285      8.46204392    -17.55183029
  H     20.09660232      4.15726294    -16.01362905
  H     17.05927962      8.89722295    -16.69434716
          69
 Energy    -249.27552906562352     
  O     12.23814337     12.52270558    -11.68302293
  H     11.84476724     11.71226115    -12.02608487
  H     18.75896272     12.26837832    -13.29461292
  O     19.58151677      6.76721999    -11.01788281
  H     12.58014069     12.30852439    -10.80540697
  H     16.00080906     10.48012312    -12.05287231
  O     17.44410706     10.15684755    -11.01812851
  H     18.62588929      6.93526819    -11.05332662
  H     14.96641539     11.45268559    -12.72010674
  O     12.65885607      8.29118593    -14.53584465
  H     19.73367628      6.27793127    -10.21374001
  H     14.80307278     11.35229489    -15.69301084
  O     16.27364660      7.10367248    -14.01811608
  H     18.11209382     10.29430852    -11.70430248
  H     14.70397907     12.67817028    -14.90734996
  O     13.85652797      5.97188257    -13.29057518
  H     17.28270304      9.20425059    -10.97747205
  H     14.07799985      6.41154813    -11.41469833
  O     14.45034579     13.14105370    -13.16502053
  H     12.14561196      8.81937862    -13.91261587
  H     13.97125603      7.65808887    -10.51805772
  O     17.76849916     10.02121887    -15.62259944
  H     12.90167715      7.47798844    -14.07612685
  H     20.37051007      7.59767385    -12.34269026
  O     16.92666944      7.42576826    -11.30372297
  H     17.15248992      7.04163286    -14.42073164
  H     21.65169516      7.91388865    -13.15070269
  O     17.57990027     12.77228266    -16.20944959
  H     15.84922301      7.87854295    -14.40718571
  H     17.26502297     13.87102056    -12.35249757
  O     18.75796306      7.40954566    -15.11852419
  H     14.74634875      6.24813408    -13.56725030
  H     16.88268858     15.15982629    -11.58676383
  O     18.33912870     13.11779853    -13.47891406
  H     13.73651295      5.08303693    -13.61758490
  H     16.29781384     13.00785245    -10.36921227
  O     15.19000589     10.52337728    -12.57569107
  H     15.08762694     13.65447312    -12.65418169
  H     16.64814511     11.53943953    -10.04860196
  O     14.96139078     12.29943948    -15.76121017
  H     13.62418573     13.07072033    -12.66311904
  H     13.31623393     12.00520207     -8.31663194
  O     14.36784383      6.77708478    -10.56977363
  H     17.82143305     10.92793647    -15.94974268
  H     14.44030165     11.95592342     -9.37782300
  O     20.71552512      8.09025036    -13.10763144
  H     16.82711032      9.81828708    -15.53796592
  H     18.63428306     10.25592947    -14.00621748
  O     16.60796364     14.26107627    -11.74747051
  H     16.09929713      7.15498653    -10.88129090
  H     19.78926328      9.71215561    -13.13396783
  O     16.09440095     12.28051491     -9.76847430
  H     16.77292634      7.35070693    -12.25518075
  H     10.49503350      9.53227033    -12.12614856
  O     13.50411264     11.74067873     -9.21278788
  H     16.61578214     12.67549105    -16.10148437
  H     12.00473392      9.57913579    -11.79646110
  O     19.13839941     10.42170345    -13.19670292
  H     17.71982049     13.29824919    -16.99187857
  H     14.05068475      9.72851963    -11.42497762
  O     11.34028209      9.82165883    -12.46352314
  H     18.54299215      8.28174149    -15.47680128
  H     13.41703522     10.10000242    -10.06774677
  O     13.43705281      9.41117753    -10.74417530
  H     19.48387867      7.55090327    -14.49967931
  H     15.14943469      9.85239487    -14.16001128
  O     15.06069787      9.46109922    -15.04603991
  H     18.11838669     13.10314334    -14.41840180
  H     14.17849877      9.06118320    -15.06871279
          69
 Ord_Energy   -249.275284    
 O  -0.373612791     -0.204574466       1.52424836    
 H   -1.08068621     -0.129544005       2.17693353    
 H  -0.557120323      0.468338966      0.855601966    
 O   -4.28970432       3.67426157     -0.546778679    
 H   -4.20449972       3.01539278      0.155189976    
 H   -3.40065384       4.01822042     -0.699025214    
 O   -1.87692475      0.557445824      -2.84678817    
 H   -2.80433679      0.292262465      -2.87795830    
 H   -1.69322562      0.855407357      -1.94431984    
 O   -4.72518015       8.44620317E-02  -2.84734893    
 H   -4.83047915     -0.107576102      -1.90246069    
 H   -4.95425797       1.01384354      -2.97302842    
 O   -5.76236534      -3.99647975      -1.17516375    
 H   -5.64397717      -3.54255104      -2.01677775    
 H   -4.96846151      -4.52806473      -1.01842916    
 O   -3.29264879      -5.07200623     -0.472568303    
 H   -2.91592598      -5.04819059      0.415442795    
 H   -2.56484556      -5.26121330      -1.08546948    
 O   0.948143363      -3.27404094      -1.76655018    
 H   0.574186921      -2.64075255      -2.40548491    
 H    1.85584676      -3.41412091      -2.02261639    
 O  -0.348816305      -2.75996995      0.644670784    
 H  -0.223805681      -1.85353470      0.967096031    
 H   0.212558404      -2.90870762     -0.126562074    
 O   -1.98535562      -4.48661804       1.96755958    
 H   -1.49521041      -5.04442453       2.56599808    
 H   -1.33789766      -3.90375566       1.53177238    
 O  -0.278379858      -1.63541877      -3.54216599    
 H   -1.02289379      -2.18906784      -3.81333804    
 H  -0.682644188     -0.784224451      -3.32747674    
 O   -1.22541070      -5.17457533      -2.28666067    
 H  -0.423120558      -4.68358135      -2.07694149    
 H   -1.71398962      -4.60839415      -2.90125561    
 O   -1.58867550       4.29044676      -1.31753647    
 H   -1.81696129       3.98787236      -2.21507549    
 H   -1.04452097       5.06642580      -1.41685903    
 O   -2.65106177      -3.09241533      -3.51974201    
 H   -2.58439064      -2.71272039      -2.62943721    
 H   -3.57727671      -2.99718618      -3.76416802    
 O   -2.66965032      -4.09354195E-02   3.24842119    
 H   -2.64292026       6.19677715E-02   4.19606018    
 H   -3.09909534     -0.897287905       3.07254720    
 O   -1.39253795       1.65801108     -0.319811553    
 H   -2.21309566       1.61427855      0.192303449    
 H   -1.29163861       2.57969499     -0.587777793    
 O   -4.76247787     -0.632154763     -0.210040137    
 H   -3.99125028      -1.19699776     -0.382313877    
 H   -5.40081835      -1.18471456      0.255529463    
 O   -6.21138525      -2.62029123       1.10217094    
 H   -6.10832596      -3.16073751      0.297568053    
 H   -7.09176588      -2.78020048       1.43050110    
 O   -2.71817040      -2.33683276     -0.804340243    
 H   -1.87306857      -2.31333256     -0.339986950    
 H   -3.04633188      -3.24118996     -0.698739290    
 O   -2.40272737       3.20100355      -3.67348790    
 H   -3.36479139       3.15849853      -3.61502862    
 H   -2.10114574       2.28803778      -3.56521416    
 O   -5.18154907       2.85073996      -2.97632170    
 H   -5.92173862       3.38736081      -3.24698019    
 H   -4.92923450       3.15207148      -2.08465409    
 O   -5.40117502      -2.47259736      -3.64333630    
 H   -6.04309273      -2.46591377      -4.34927797    
 H   -5.20252323      -1.54343295      -3.43837452    
 O   -3.75354886       1.50810254       1.16806054    
 H   -4.18782330      0.787540734      0.686490715    
 H   -3.42064118       1.11553836       1.98431277    
 O   -3.82940698      -2.43656683       2.71504354    
 H   -3.25464177      -3.18063831       2.49855876    
 H   -4.64393044      -2.55738735       2.21350431    
          69
 Energy    -249.27524597641883     
  O      9.92405751     12.92045747    -12.06183620
  H      9.03028215     13.21523414    -12.21991577
  H     13.94020283     13.68225936    -13.14245098
  O     14.15841983      8.53747060    -17.31318545
  H     10.28829423     12.66578828    -12.92606656
  H     16.58491726      9.95605011    -10.70929359
  O     11.19567896      8.30496144    -11.79532338
  H     14.33686871      7.87313594    -17.97259623
  H     15.51331343      8.85584280    -10.65292618
  O     14.15241723      8.81901632    -14.50037636
  H     13.19570350      8.68981173    -17.31807623
  H     13.41334492     14.98848878    -11.59887371
  O     12.27362911     13.61265951     -8.07671694
  H     10.94310475      9.05810071    -11.24511445
  H     14.19989867     16.10794297    -12.32391525
  O     14.49673715     11.36010612    -16.94216017
  H     12.14191019      8.17839356    -11.64723184
  H     13.88013683      9.49603393    -11.54175514
  O     11.43287234      9.35040684    -14.31890507
  H     14.29474068      8.55939912    -15.41788664
  H     14.20235919      8.48477391    -12.67136320
  O     13.51100052     11.25389584    -11.18131694
  H     13.20730512      9.02370889    -14.42651107
  H     18.23194554     11.28292095    -12.04891221
  O     11.94159352     10.93449868     -7.86398529
  H     12.07703603     12.66800600     -7.94139309
  H     16.96819783     12.09216140    -11.67900479
  O     16.31029241     13.55618102    -11.01983293
  H     12.01613217     14.06529601     -7.27814344
  H     11.25236540     12.19791626    -15.35076611
  O     10.90217640     10.77514809    -10.45272522
  H     15.02032911     11.42852035    -16.13480343
  H     12.07028117     12.43478572    -14.06511012
  O     13.65710033     12.82465101    -13.48176480
  H     14.50390579     10.42272574    -17.17595945
  H     13.97887941     13.06202018     -8.61381136
  O     16.16169393      9.32964783    -10.11168716
  H     11.27641587     10.29897727    -14.23874002
  H     14.83112642     11.77015954     -8.47731681
  O     14.21794217     15.17790233    -12.11598556
  H     11.22777596      8.93662881    -13.46796881
  H     15.17434042     10.31222163    -14.33866791
  O     14.05121846      8.55736129    -11.71976336
  H     13.96993552     11.71044425    -10.46689328
  H     16.27182471     11.12817122    -13.59304143
  O     17.27918291     11.23416655    -12.01992649
  H     13.55704168     11.82226416    -11.96028247
  H     12.81869580     11.89375990    -17.05109159
  O     11.19212416     12.17352708    -14.38799752
  H     12.78866566     10.47577053     -7.90176893
  H     11.75526503     12.67483642    -17.85535420
  O     14.74943833     12.60005690     -8.96633997
  H     11.47466190     10.73992788     -8.68938259
  H     15.08018572      9.57265425     -7.14468790
  O     15.65056323     11.15647464    -14.33097072
  H     15.71541491     14.19765796    -11.42322404
  H     15.25976612      9.72388006     -8.67012090
  O     11.86403590     12.07436280    -17.12256507
  H     15.86970444     13.27956010    -10.20245286
  H     12.00174997     14.21858483     -9.84047688
  O     14.73136101     10.02408460     -7.90897508
  H     11.82517898     10.93415114    -10.70919771
  H     11.25872453     14.00144071    -11.18090009
  O     11.96970823     14.50067554    -10.76301721
  H     10.39233635     11.45215437    -10.91017887
  H     11.50296758     10.16364454    -17.25346454
  O     11.53383321      9.21123527    -17.10259077
  H     14.42429877     12.34418031    -13.82398902
  H     11.35732985      9.10161970    -16.15668380
          69
 Energy    -249.27523576530973     
  O      6.41071621     11.85694499     -5.86172049
  H      5.94995057     12.70428338     -5.83977225
  H      8.58292633     13.22679322     -3.38341059
  O      6.36273589     10.28212566      1.15703242
  H      7.31929087     12.01738122     -5.57759563
  H      7.53030362     10.96256123     -0.20359144
  O      2.44806876     12.52692013     -5.20008229
  H      5.56224317     10.76536367      0.89217680
  H      6.96595799     11.25822425     -1.60105259
  O      6.71130537      7.97378870     -3.25480052
  H      6.40392654     10.31970184      2.10904021
  H      3.01549858     16.43448107     -4.09837449
  O      4.70586423     14.11489194     -5.46065742
  H      2.42443954     11.58420363     -5.39815850
  H      3.50496372     17.43425017     -5.17043202
  O      5.33239670     11.40089909     -2.39877700
  H      2.17555172     12.61615986     -4.27511660
  H      5.34132191     14.19371407     -3.76013548
  O      2.78837242      8.95334471     -0.41358855
  H      6.30817362      8.07799388     -2.37448661
  H      6.53702782     14.09564173     -2.74402418
  O      2.51007365      9.71401376     -5.33110907
  H      6.86176388      7.03963476     -3.37515443
  H      9.02105352     11.24625347     -4.32428878
  O      1.51950313     12.75346777     -2.58112249
  H      4.32908876     15.00382677     -5.44598007
  H      9.87234627     12.08949670     -5.30266678
  O      1.64015910      9.95933429     -2.62075542
  H      3.95071039     13.50773093     -5.42347491
  H      4.59466997      8.43278103     -0.72869662
  O     -0.15837241     14.91245110     -3.23812391
  H      5.40566092     12.32535449     -2.67375440
  H      5.94694910      8.83171849     -0.12173492
  O      8.24711605     13.63605798     -2.57596065
  H      5.17743918     10.86264115     -3.18180991
  H      1.42927454     14.03517594     -5.71994567
  O      7.78578202     11.26286662     -1.08166939
  H      2.36313538      9.26671072     -1.23293929
  H      1.73655204     15.53924456     -5.62777546
  O      3.29202016     16.51571771     -5.02860118
  H      2.14021677      8.42482470      0.04378938
  H      4.26981578     14.11996372     -1.60345126
  O      5.57166453     14.11557256     -2.82544023
  H      3.46290370      9.67807126     -5.12959562
  H      3.66345177     13.26861247     -0.45281577
  O      9.03964048     12.07360663     -4.83841015
  H      2.35191472      9.09545236     -6.03881637
  H      8.64704025     10.31033439     -2.40413252
  O      5.54614670      8.28809843     -0.80903457
  H      2.19808950     13.16865567     -2.03178271
  H      8.20795735      9.16648778     -3.32609010
  O      1.01023759     14.90630439     -5.69302490
  H      0.82639937     13.41158202     -2.71716593
  H      3.50505209     10.65236782      0.04593213
  O      3.48776885     14.01499510     -1.03730394
  H      1.85858384      9.78394518     -3.54289169
  H      4.50424188     11.40450282     -0.84696322
  O      8.85044830      9.88035177     -3.24729733
  H      1.51353799     10.91571631     -2.55054042
  H      1.41105143     15.85975477     -2.62660316
  O      4.09225695     11.41833168      0.03414526
  H      0.15004491     14.93856091     -4.16204073
  H      2.71647192     15.56781231     -1.86345016
  O      2.31438569     16.17447837     -2.49735143
  H     -1.07972184     15.15540777     -3.24566534
  H      5.72041628      9.12465153     -4.31746167
  O      5.12580965      9.78239931     -4.69713956
  H      8.24202708     12.93165168     -1.91446051
  H      5.63986282     10.45224452     -5.17823348
          69
 Energy    -249.27436013093094     
  O     16.50843732      9.98126836    -11.04358557
  H     16.12243664      9.35686188    -10.40773454
  H     12.31164115      7.70584682     -9.14953669
  O     14.11362403      5.32416873     -7.69726218
  H     16.59651222     10.83049271    -10.58872469
  H     14.11248657      8.73392819     -6.41270217
  O     16.99191913     12.12600012     -9.42117628
  H     13.28231737      5.43744951     -8.17320170
  H     13.29954334      9.32645973     -7.58861071
  O     11.78370547      5.91016877     -9.21054272
  H     14.79915314      5.22345988     -8.37192146
  H     19.71628691      6.28855435    -12.21333938
  O     15.43284613      8.47060009    -13.03899681
  H     17.91026944     11.93434481     -9.19668414
  H     19.18101175      5.69008423    -10.89954806
  O     19.07433217      9.10968049    -10.56974190
  H     16.48646078     11.99532814     -8.60818514
  H     16.94575316      5.70875921     -9.66520366
  O     19.62508165     11.09261399     -8.67860814
  H     12.04397365      5.83103630    -10.14627999
  H     15.79169767      5.44365865    -10.68672782
  O     18.55866266      6.61070795     -9.31933371
  H     10.91996930      5.51472094     -9.13013890
  H     19.74930704      8.48463313    -12.07901923
  O     12.57226702      5.97360381    -11.79001894
  H     15.83006925      9.08064745    -12.39879988
  H     20.83136482      8.44395515    -13.18285509
  O     15.64505753     11.59362604     -6.94406360
  H     16.13724870      8.22561727    -13.65637139
  H     17.88566316      9.34046028     -6.68876237
  O     12.84982027      8.80199091    -12.12300213
  H     18.18481971      9.39962704    -10.82158680
  H     17.30635277     10.76235439     -6.59782065
  O     12.70878670      8.58137927     -9.25182280
  H     19.39868045      9.75854253     -9.93265466
  H     18.44307920      7.78667643    -13.98433862
  O     13.83124369      9.56339346     -6.81895843
  H     20.37737261     11.59534476     -8.37895221
  H     17.59484546      6.56494486    -14.35840436
  O     19.36553662      5.47749265    -11.82204238
  H     19.15820399     10.78394930     -7.88023159
  H     15.58144032      7.21760912     -9.52865428
  O     16.01598908      5.45881429     -9.74580768
  H     18.75914002      7.45434167     -9.74856512
  H     14.52428797      8.31117909     -9.20580431
  O     20.01933586      8.03341765    -12.89680291
  H     18.24418805      6.84398322     -8.43595102
  H     14.51543440      6.40460476     -6.41290254
  O     18.13668431     10.26925985     -6.59292917
  H     13.46276554      5.69811990    -12.04478769
  H     14.57728594      6.68271312     -4.89219023
  O     17.61906011      7.52789805    -14.41492723
  H     12.52685807      6.91445617    -12.00163759
  H     15.99206474      5.28056198    -12.90949886
  O     15.46682242      8.15903850     -9.34379921
  H     15.28380834     12.30205308     -6.41681507
  H     15.36514518      6.66438388    -12.58720821
  O     14.77597160      7.06329859     -5.74327327
  H     14.99118920     10.87405092     -6.91720941
  H     16.58982196      8.02454394     -7.90437981
  O     15.29927070      5.71773925    -12.39844826
  H     13.74213442      8.72011344    -12.49949573
  H     16.48276190      7.42527507     -6.50231230
  O     17.12667089      7.73107813     -7.15190249
  H     12.37845712      9.41451660    -12.68298990
  H     18.21077897      4.91075485    -13.00448886
  O     17.55586897      4.73189946    -13.70329935
  H     12.70252410      8.77655739    -10.19763977
  H     17.82347651      3.92450914    -14.13321325
          69
 Ord_Energy   -249.274231    
 O   -6.99627209       1.00845277       6.11580610    
 H   -7.45964766       1.84135485       6.26819324    
 H   -7.14971924      0.789527416       5.18820286    
 O   -4.72378969       2.12951446       3.11163521    
 H   -4.64799404       2.17242312       4.07632685    
 H   -3.82589221       2.23364878       2.77033424    
 O   -2.09246492       2.74333072       2.48063779    
 H   -1.40595055       2.57149363       1.84244263    
 H   -2.13984179       3.71200037       2.58878374    
 O   -8.43598080       7.98672390       2.18034601    
 H   -8.85659313       7.24189520       2.64710689    
 H   -9.12471676       8.42466259       1.68683040    
 O   -7.68182659       7.77594709       7.00733566    
 H   -7.51512671       8.19526005       6.15127516    
 H   -8.42232323       7.17302895       6.87467289    
 O   -5.35894728       7.04666138       8.13710022    
 H   -5.35442829       7.22303343       9.07378960    
 H   -6.21761608       7.35310268       7.79103184    
 O   -3.42143178       8.03550053       6.24417734    
 H   -2.88437128       7.24722433       6.09503222    
 H   -4.04512358       7.79870462       6.94122362    
 O   -6.11237764       4.40741014       2.19525409    
 H   -5.55316257       3.64610004       2.39667201    
 H   -5.95836973       5.05104399       2.90382957    
 O   -6.09388924       6.93527460      0.880682230    
 H   -6.90711498       7.31176138       1.23862398    
 H   -6.13275957       5.99079609       1.08143651    
 O   -4.50833607       2.19683886       5.89042759    
 H   -4.72414017       3.09265685       6.18117666    
 H   -5.28144884       1.65034556       6.09025240    
 O   -4.34721279       9.62603569       4.24565268    
 H   -3.94880795       10.4894390       4.31512547    
 H   -3.98234415       9.08876324       4.97307253    
 O   -7.15323830      0.789649427       3.23812342    
 H   -6.27585268       1.18401289       3.09827113    
 H   -7.19465876       1.25675499E-02   2.68625283    
 O   -9.67462349       5.82332897       6.45177507    
 H   -10.4486227       5.57506227       6.95147800    
 H   -9.09379959       5.04386282       6.42819834    
 O   -2.26007438       5.37115431       3.00534606    
 H   -2.70643544       6.15165949       2.65408754    
 H   -2.27741194       5.45947933       3.96684837    
 O   -5.26135111       4.83701563       6.46031332    
 H   -5.36622334       5.31867695       5.62192202    
 H   -5.29613638       5.49336147       7.16871834    
 O   -5.59316015       6.24085331       4.18892336    
 H   -4.87126827       6.59673071       3.65277648    
 H   -6.19212675       6.97966385       4.35256767    
 O   -2.45323658       5.38356924       5.84066677    
 H   -3.35999608       5.20134354       6.11064100    
 H   -2.03232312       4.51206255       5.77961540    
 O   -6.98558569       8.65956211       4.47556925    
 H   -6.15274239       9.12469578       4.32120657    
 H   -7.46918869       8.59470749       3.64175248    
 O   -9.51585770       5.93607855       3.58509541    
 H   -9.27587509       5.01500511       3.42375445    
 H   -9.66406822       6.00725985       4.53526306    
 O   -8.34926891       3.36060810       3.37038875    
 H   -8.19058895       2.41311646       3.29140067    
 H   -7.63306904       3.77812815       2.86651134    
 O   -7.90049076       3.76075792       6.10701084    
 H   -8.01042843       3.64288616       5.15107918    
 H   -7.01411867       4.11001968       6.26064730    
 O   -3.87355208       7.53324652       2.39050317    
 H   -3.97571731       8.37005615       2.85789847    
 H   -4.60201454       7.44155407       1.75638449    
 O   -1.76883018       2.74445295       5.39019108    
 H   -2.62238812       2.37991095       5.66153717    
 H   -1.73341215       2.62911654       4.43362570    
          69
 Energy    -249.27342477009464     
  O     18.01697046      6.83436316    -12.60383891
  H     18.13696511      5.89414572    -12.78044616
  H     15.54229104      8.41847458    -17.84128631
  O     17.70653669     11.33274776    -13.97010694
  H     17.41392889      7.15832106    -13.29428597
  H     15.60478567      7.02936748    -14.46844753
  O     15.30978581      4.23653448    -12.35278870
  H     17.75258867     12.01758280    -13.29238447
  H     15.94390682      8.55402531    -14.54290822
  O     15.67919032     11.64584090    -10.53300251
  H     18.24398101     10.59048716    -13.65875969
  H     13.18561176      8.22679414    -12.33140244
  O     16.18615113      7.70247805    -10.70379290
  H     14.91753093      4.71405774    -13.10000102
  H     13.12025568      6.81242860    -11.74174295
  O     15.24203201     10.23564028    -14.49716490
  H     16.22898728      4.08619714    -12.59700290
  H     18.75068264     10.37918222    -10.27890107
  O     17.06940537      4.50814702    -15.95527944
  H     16.20201627     11.06339350     -9.96728143
  H     19.51312114     10.23125329    -11.62063281
  O     17.34121080      9.68648661     -9.22432427
  H     16.32245150     12.22228787    -10.96133288
  H     14.59546675      5.14024228    -11.07843866
  O     18.07845890      7.02853127    -16.56935986
  H     16.84490002      7.32823261    -11.30488445
  H     13.78047313      5.25007237     -9.76607955
  O     17.95984852      4.12544019    -13.41083775
  H     15.52282508      7.02292145    -10.52726359
  H     18.02411538     11.15648341    -15.78695165
  O     20.05950999      8.97310782    -15.97895729
  H     14.82122272     10.05621766    -13.64521113
  H     17.28856964     10.58663456    -17.01572180
  O     15.73711901      7.49699934    -18.04938365
  H     16.06859490     10.70208839    -14.30020999
  H     19.01198117      8.34287165    -12.94029351
  O     16.32703644      7.66992939    -14.54112835
  H     16.16734353      4.62165632    -16.27128266
  H     19.73749458      9.07090564    -14.10245043
  O     12.82077372      7.34632901    -12.48824226
  H     17.55419624      5.28526259    -16.26925474
  H     18.51786400     12.28734337    -11.38142365
  O     19.34980862     10.83496148    -10.88461262
  H     16.92976922      8.94227759     -9.69553292
  H     18.34555347     13.82109081    -11.51761642
  O     14.19348180      5.76903072    -10.45045674
  H     17.37792860      9.44167412     -8.30313404
  H     13.96672700      4.88183537    -17.72436540
  O     18.16561518     10.78406855    -16.66935325
  H     17.45680632      7.28522921    -15.86812685
  H     14.83023499      6.12988479    -17.43640049
  O     19.38097587      9.19391958    -13.21375166
  H     18.86058132      7.57490337    -16.44330580
  H     14.72028375     10.41367228    -11.46961340
  O     17.93834654     12.98735679    -11.73530037
  H     17.63747538      4.21398045    -14.32592740
  H     15.05233159      8.91882257    -11.60048696
  O     14.42017554      5.34746920    -17.02695619
  H     18.57321475      3.39550473    -13.40864712
  H     15.19934427     10.23540200    -16.28238724
  O     14.46260793      9.60622456    -11.93797289
  H     20.88872499      9.15545315    -16.41324890
  H     14.79453374     10.85687389    -17.63622283
  O     15.37409223     10.21134954    -17.23816162
  H     19.42040692      9.63273512    -16.30607214
  H     13.58441728      6.40779468    -13.85601827
  O     14.26259312      5.88223946    -14.30524569
  H     16.63980702      7.34646943    -17.73714954
  H     14.04184061      5.72839983    -15.23118980
          69
 Energy    -249.27341561118891     
  O     -3.89142219      1.27423972      4.48112544
  H     -4.35917883      0.45247148      4.68094816
  H     -3.60897258      2.28924661      0.56631343
  O      0.51063298      5.06677934      1.28960884
  H     -4.43506247      2.00757233      4.79993956
  H     -6.72792971      2.11931985      1.04347260
  O     -0.52325639      0.31889499      1.54098321
  H      0.70474812      4.34946006      0.65991293
  H     -6.43719058      3.31314482      0.13363479
  O     -5.38421047      0.44748679     -1.55254063
  H      0.98076522      5.83765965      0.98360893
  H      1.52920734      2.30182408      0.27845202
  O     -2.95279006     -0.73558983     -1.71523655
  H      0.42598045      0.45186495      1.65369570
  H      0.33002566      2.41214185     -0.68708750
  O     -3.99720240      0.99441955      1.71749406
  H     -0.75484526      0.71911249      0.68984031
  H     -5.42828423      4.14802537      5.86417352
  O     -7.78867866      2.71568388      3.71352506
  H     -5.91276043      0.24120179     -0.76956179
  H     -5.20303335      3.97108908      4.34009933
  O     -1.40583648      2.13436060      3.53496646
  H     -5.49743763      1.39291713     -1.70433866
  H     -1.89996728      3.63580219      2.60286084
  O     -5.49019765      3.31927925     -1.54987962
  H     -2.95030387     -1.33078546     -2.46037856
  H     -1.25714944      4.78669651      1.79199395
  O     -6.51301598      0.16469827      0.99536650
  H     -3.83292448     -0.31802825     -1.69359755
  H     -5.35721192      4.08166532      2.09667227
  O     -5.05619533     -2.15895627      2.23901025
  H     -3.51684015      0.17602891      1.53686857
  H     -3.93691087      4.61348248      2.47497681
  O     -3.27248654      3.00517342      0.00327400
  H     -3.97264080      1.15241247      2.67039737
  H     -5.42201223     -1.78748705      5.40253870
  O     -6.64754462      3.08111124      1.04583302
  H     -7.55464343      3.04472847      2.83790230
  H     -5.21601129     -1.55151936      3.88900507
  O      1.05265619      2.91707975     -0.29287447
  H     -7.07380625      2.99497957      4.29803928
  H      1.03367451      3.95262399      2.79762965
  O     -5.42850511      3.50034774      5.16480320
  H     -1.17950972      1.46134080      2.87786827
  H      0.32201576      2.87527782      3.63886818
  O     -2.10467336      4.40112216      2.04506716
  H     -2.17757385      1.81411340      4.01889871
  H      2.99052887      0.90102634      2.00908681
  O     -4.85293299      4.55374931      2.77123592
  H     -5.41850006      4.00576686     -2.20781378
  H      1.89116029      1.91557453      2.41081593
  O     -5.34171344     -1.10254046      4.74354716
  H     -4.64548249      3.29973512     -1.06616033
  H     -7.84863056      0.90374661      3.61550673
  O      1.19567760      3.20037057      3.38005304
  H     -5.63623005      0.45476331      1.29546706
  H     -7.03996502     -0.35671789      4.01227039
  O      2.12465056      1.21935657      1.77019778
  H     -7.06123199      0.04546905      1.78713549
  H     -2.72238241     -1.27411359      0.06282479
  O     -7.72125989     -0.03582999      3.41267370
  H     -5.66596343     -1.65989888      1.68626759
  H     -1.80899317     -0.98324616      1.28911334
  O     -2.65353470     -1.37244597      1.02226046
  H     -4.18416696     -2.06135898      1.83221981
  H     -1.93189130      2.03370119     -0.70369425
  O     -1.24654296      1.39485089     -0.94969393
  H     -2.83095393      3.62241007      0.60129741
  H     -1.71106172      0.65378262     -1.35640851
          69
 Energy    -249.27330371501441     
  O     17.15028597     10.74364051    -15.13064376
  H     17.19580853     10.26698074    -15.96829162
  H     15.75165143      4.20241920    -16.51553351
  O     14.23124483      6.72199801    -16.11525992
  H     16.22636495     11.01531018    -15.04417709
  H     19.46106988      5.94923659    -14.46899704
  O     17.83287914      6.95738404    -11.66268964
  H     15.10658487      6.92948924    -15.74824478
  H     19.33017031      5.56305933    -15.97772340
  O     19.80291410      5.81663582    -17.74025306
  H     14.36860638      5.92386614    -16.63932179
  H     19.94578540      7.72052142    -17.51421959
  O     17.24656405      6.18856781    -18.53424028
  H     17.45050741      7.76455567    -12.04436075
  H     18.88703997      8.83619620    -17.55211698
  O     13.89335013      8.45040229    -10.14785655
  H     18.71352139      6.88761924    -12.04744310
  H     17.46806310      6.62352983    -15.14155439
  O     13.61377824      6.49706192    -13.44426670
  H     18.89940615      5.89160176    -18.09882382
  H     16.80558334      7.82772170    -14.39315182
  O     16.72364709      9.03375664    -12.98548593
  H     20.31297670      5.32170291    -18.37549092
  H     14.11066089     10.43021001    -14.06098963
  O     16.59860060      3.90221781    -15.02607862
  H     16.54573447      5.62595656    -18.18144564
  H     13.77060548     11.80101277    -14.68480087
  O     12.34439652      6.19135239    -11.00382826
  H     16.99968433      7.10138942    -18.35105399
  H     15.18763178      5.46497435     -9.70856320
  O     19.76706137      9.35498309    -14.66458081
  H     14.70952869      8.05105163     -9.82344399
  H     13.79812871      5.13819293    -10.28697113
  O     15.30705078      4.45108977    -17.34676533
  H     13.27923431      7.71701567    -10.28384931
  H     14.18793326      9.94164190    -16.40862738
  O     18.91396001      5.47830165    -15.10925761
  H     13.62215407      6.51422283    -14.40993315
  H     14.08327804      8.46860332    -16.86442565
  O     19.80824997      8.65569711    -17.32306409
  H     14.41485160      6.02513443    -13.17029817
  H     20.05010865      7.95100230    -13.68462988
  O     16.76672410      7.28496680    -15.18889351
  H     15.77315943      9.12202775    -12.83441657
  H     21.11717921      7.11943215    -12.93593175
  O     14.32001071     11.02856422    -14.79701294
  H     16.97341155      9.70298542    -13.63603670
  H     15.46867754      4.80085656    -11.74189431
  O     14.66995926      4.75951575    -10.11780102
  H     17.49540647      4.26051564    -15.06545495
  H     16.60065038      5.67312635    -12.33962228
  O     14.29301371      9.36129092    -17.17154872
  H     16.25387476      4.18883381    -14.17031402
  H     16.90122627      6.98126738    -10.10878366
  O     20.20271807      7.11514810    -13.20635965
  H     11.41620271      5.97931382    -11.06182963
  H     16.80364691      7.16874137     -8.58017460
  O     15.85833659      5.10364386    -12.57545449
  H     12.67125012      6.26744777    -11.91584040
  H     13.79038211      8.29518964    -13.09972445
  O     16.27962404      7.02160351     -9.36421740
  H     19.89907526      9.12701236    -15.59877662
  H     13.90638953      9.12724634    -11.80621344
  O     13.96684523      9.18771085    -12.77158062
  H     19.09367438     10.03890976    -14.66257006
  H     17.00060069      8.30424229    -16.62899432
  O     16.98090246      8.88835121    -17.40523473
  H     14.99356261      3.64315462    -17.74383469
  H     16.05406511      9.14804941    -17.51536128
          69
 Energy    -249.27323558151244     
  O     13.25272184      6.31178069    -16.18627665
  H     12.88919258      6.15913260    -17.05421411
  H     10.71246131      5.81583300     -9.97761837
  O     11.72816428      9.41677524    -10.71060146
  H     12.69913564      6.99570778    -15.76813782
  H     16.98818814      4.89728832    -13.04612904
  O     15.64821914      6.25871260    -10.48880259
  H     11.29897649      8.57251082    -10.52780463
  H     16.89007078      5.92467038    -14.18299767
  O     14.29748260      2.26821384    -10.28320642
  H     12.34599275      9.54734160     -9.98076489
  H     14.96884102      7.42268612    -13.31912054
  O     13.59433768      9.49627813     -8.54506555
  H     15.69935136      5.40168539    -10.92975325
  H     14.70520856      8.68534846    -12.45039540
  O     12.24376551     10.49497095    -13.16337642
  H     15.27763733      6.85789779    -11.15722662
  H     11.70117020      7.54238290    -14.02947460
  O     15.53489708      4.00316954    -12.11690377
  H     13.88696229      2.84813210     -9.61699994
  H     11.96199890      8.99949711    -14.40655726
  O     12.02435153      2.78161048    -11.95154956
  H     14.57013485      1.47596261     -9.82834152
  H     18.32299050      7.78420183     -9.42647140
  O     15.00949809     10.48897057    -12.67556088
  H     13.52156426     10.08235529     -7.79650814
  H     17.02655918      7.34790256    -10.14690631
  O     12.95775802      3.90913862     -8.57890203
  H     14.39341732      9.76312108     -9.03477017
  H     17.40458249     10.10438219    -15.23258094
  O     10.48113749      3.96402395    -10.03869983
  H     12.02884997     10.10304213    -12.29718250
  H     17.34341189      9.13027790    -14.03063998
  O     11.07237775      6.71141017    -10.01186915
  H     11.65898732     11.24109736    -13.27218479
  H     14.31130551      6.49546736     -9.29090168
  O     17.51032363      5.52861826    -13.55409280
  H     14.82667579      4.15311212    -12.75867029
  H     13.58557225      7.62318669     -8.51833245
  O     14.57909843      7.73066703    -12.48936480
  H     15.21663990      3.32006830    -11.51334154
  H     16.48901274      9.53476681    -10.00999429
  O     11.79277190      8.13352355    -14.79205447
  H     12.38655680      3.23351305    -12.72342069
  H     15.56949122     10.39930753    -10.91438827
  O     17.67516809      8.06762823    -10.06686823
  H     12.78746279      2.46720152    -11.45025452
  H     18.06583589      7.20176375    -13.08869252
  O     16.79920476      9.62178147    -14.67644591
  H     14.09590238     10.61309539    -12.96651465
  H     18.10237475      8.21797652    -11.93114755
  O     13.55680376      6.67781129     -8.71183628
  H     15.56753200     10.33293407    -13.44894646
  H     12.94560363      7.03586614    -12.46780933
  O     15.75675809     10.16288141     -9.99604254
  H     12.05924123      3.90558695     -8.93195728
  H     11.67876173      6.56185290    -11.70046286
  O     18.17427197      8.14412272    -12.88827090
  H     13.19172581      4.83814015     -8.45829133
  H     14.87209180      6.86448458    -15.53619389
  O     12.11364889      6.54467962    -12.55971954
  H      9.68777672      3.44948636     -9.91616028
  H     15.94563033      7.95035102    -15.14168022
  O     15.64400313      7.04699925    -14.98575381
  H     10.96486620      3.55805050    -10.77992812
  H     12.84153255      5.15057016    -13.32844967
  O     13.31958685      4.47605029    -13.83942971
  H     11.91209681      6.68650322     -9.52879135
  H     13.37303226      4.83542129    -14.72892664
          69
 Ord_Energy   -249.273148    
 O    5.00493956       1.09885418       8.28836346    
 H    5.10319996       1.62104833       9.09338570    
 H    5.73980331       1.32238281       7.70470428    
 O    3.96978903      -2.34410763       10.0371552    
 H    4.43753862      -2.28203249       9.19501019    
 H    4.57928085      -1.98978174       10.6966228    
 O    5.06993484       2.71456790       10.5397091    
 H    4.51083851       2.16063762       11.0989819    
 H    4.50123882       3.37953520       10.1268883    
 O    5.59771156     -0.867934644       11.8881998    
 H    5.84924412      -1.12792170       12.7720413    
 H    4.88540888     -0.216186717       11.9876680    
 O    7.19155598       1.40239120       6.51287937    
 H    6.54049873       1.29613960       5.80132246    
 H    7.55516815      0.538525462       6.74161625    
 O    1.96222496     -0.456294090       9.97539520    
 H    2.04196668     -0.119161822       9.07336521    
 H    2.53827119      -1.23326051       10.0265741    
 O    5.23323917       4.78833008       7.10166216    
 H    4.72376060       4.82705641       7.92144966    
 H    6.13554478       4.54139519       7.33499765    
 O    1.76178145       3.17539835       7.22343922    
 H    1.90502143       2.21909642       7.29730463    
 H    2.27890682       3.45073986       6.45687246    
 O    3.66447663       3.69320059       5.20395756    
 H    4.27678537       4.10321474       5.84298229    
 H    3.61757421       4.28327131       4.45578432    
 O    8.07346058      -1.09098434       7.54618454    
 H    8.89627838      -1.56423163       7.46588993    
 H    8.00345612     -0.800079048       8.47657490    
 O    5.32323408      -1.58559191       7.64890814    
 H    5.17435551     -0.698372185       8.01269531    
 H    6.27919865      -1.64864397       7.53440571    
 O    3.60833335      -1.16726136       5.53227901    
 H    4.22981215      -1.43630421       6.23056173    
 H    3.37487173      -1.95678353       5.05114365    
 O   -5.95017895E-02   1.21759439       10.9843855    
 H   0.514981389      0.529519856       10.6208696    
 H  -0.203157052       1.86137736       10.2800732    
 O    1.33875644       2.38999844       12.9833059    
 H   0.758512318       1.95130610       12.3334055    
 H   0.864305019       2.40785217       13.8100471    
 O    2.48698163      0.564400554       7.43849516    
 H    2.63879371      -5.32399006E-02   6.71451950    
 H    3.36869144      0.843891144       7.73979378    
 O    1.39708030       4.58292866       11.0937576    
 H    1.43869030       3.94485855       11.8156214    
 H   0.723434508       4.24827290       10.4881802    
 O    7.86892653       3.81370854       7.57286596    
 H    8.64759159       4.18521452       7.16540861    
 H    7.70462799       2.95881462       7.13726187    
 O    3.38406253       4.44692373       9.20831394    
 H    2.76724839       4.65081882       9.92665100    
 H    2.86109638       3.99915719       8.53107357    
 O    7.81425381       2.53627324       10.1526327    
 H    7.93379688       3.04891086       9.34558105    
 H    6.89849567       2.69484568       10.4238462    
 O  -0.279422432       3.35984015       9.07951927    
 H   0.379243255       3.34203029       8.36660385    
 H   -1.08049822       3.71334815       8.69966793    
 O    5.08541107       1.21349084       4.79438257    
 H    4.52346611      0.441621721       4.92627907    
 H    4.52658844       1.99344563       4.90133095    
 O    7.75264978     -0.219947755       10.0547152    
 H    7.86258364      0.741194367       10.1202326    
 H    7.05098104     -0.457374483       10.6693144    
 O    3.45706582      0.907621801       11.9037771    
 H    2.82726240       1.42385042       12.4216881    
 H    2.94249940      0.459674239       11.2158756    
          69
 Energy    -249.27278612066431     
  O     -2.97580768     -1.60241571      0.44224796
  H     -2.30622861     -1.52821099     -0.25115367
  H     -0.22224156     -0.67806536      1.86434687
  O     -1.37471987      2.33731951      2.26685020
  H     -3.71594465     -1.03532204      0.18841878
  H     -2.90797562     -3.14462906      1.46098270
  O     -1.61687334     -2.53253937      4.37898850
  H     -1.53880602      1.39763587      2.43724771
  H     -2.49734439     -3.45548028      2.91861619
  O      3.32645669     -2.57140374      0.23293970
  H     -0.86948552      2.40399250      1.44481573
  H      2.13674625      0.99110312      3.42630537
  O     -1.06321001     -1.29322382     -1.60931534
  H     -1.73152543     -2.66738702      5.31557608
  H      1.86538710     -0.19220342      2.47902687
  O     -2.95542325      0.52478213     -2.44575528
  H     -0.75294191     -2.91563510      4.14135013
  H      0.19389667     -3.87070999      0.21349678
  O     -4.87787302      0.28612588     -0.30740047
  H      2.43534036     -2.86163388     -0.00678791
  H     -0.02416632     -2.69204797     -0.80383270
  O     -2.11581099      3.17732247     -1.66956240
  H      3.36947377     -2.59507614      1.19595922
  H     -1.79182919     -1.03089302      3.33769470
  O      0.11977804      2.78349049     -0.14429364
  H     -0.29527161     -0.71470840     -1.50373896
  H     -2.30257765     -0.76954702      1.88756195
  O      3.84743743     -0.28187405     -1.10943224
  H     -1.73259074     -0.74744030     -2.04905807
  H     -0.59211222     -6.09755443      1.22038239
  O      1.11296321      0.36867800     -0.97832468
  H     -2.64123167      1.42453976     -2.29288222
  H     -1.31393828     -4.77333156      1.57620940
  O      0.62592159     -0.82346165      1.42644190
  H     -3.71683125      0.41873220     -1.86277069
  H      1.62063661      3.12037174      2.82340513
  O     -2.70178927     -3.86725856      2.07024849
  H     -4.51211489      1.09796513      0.08855856
  H      0.27736844      2.54240272      3.28053573
  O      2.52863070      0.17429529      3.08669462
  H     -5.82695206      0.36859105     -0.28087423
  H      4.00335613     -2.66259249      3.68045831
  O      0.60616007     -3.09912628     -0.19597197
  H     -2.04021166      3.96269210     -2.20556902
  H      3.08379029     -1.50932104      3.22111155
  O     -1.81051002     -0.37948475      2.62481959
  H     -1.29019995      3.10541114     -1.16103859
  H      1.56355741     -3.30739936      3.36676184
  O     -0.45386084     -5.16120493      1.33140021
  H      0.85990572      3.25472111      0.25876435
  H      0.47708895     -4.25971613      2.78942369
  O      1.21548318      2.57223503      3.50609533
  H      0.48052950      1.96566188     -0.51740815
  H      3.55596972      1.05775083      1.77879091
  O      3.26184503     -2.45963488      3.11499792
  H      3.72377707     -1.12699044     -0.64037228
  H      3.97197153      0.98987969      0.29200714
  O      0.68719119     -3.67542639      3.52750118
  H      4.48295673     -0.44191696     -1.80153538
  H     -3.25331306      2.87638698     -0.17727182
  O      3.89741851      1.58681856      1.04540173
  H      0.97034610      0.01347351     -0.08552784
  H     -3.03162158      2.55997584      1.31169667
  O     -3.69688785      2.54178378      0.61282659
  H      2.04027336      0.20587846     -1.18611474
  H      2.91549160      4.59914292      1.15910898
  O      2.37037493      3.81721151      1.15541005
  H      0.60909627     -1.69659054      1.01390230
  H      2.97191414      3.05495030      1.07052686
          69
 Energy    -249.27197395276713     
  O     15.31068615      9.22650509    -15.12607576
  H     14.79750807      8.55718491    -15.56985672
  H     17.13909085     11.19226469    -16.51467531
  O     18.16916157     15.30112528    -16.09966599
  H     15.99141948      9.52555724    -15.75609493
  H     19.64133992      9.98857447    -10.23847818
  O     20.09171094      9.83433454    -16.10573013
  H     18.20270812     15.91826698    -16.82682333
  H     19.26209589     11.41880896     -9.82150477
  O     19.81575478     13.15512763    -10.33534926
  H     19.08887505     15.08773067    -15.87348939
  H     21.39902924     16.79196414    -12.62919543
  O     14.98489338     12.50548749    -11.43395251
  H     20.45599441     10.59527629    -15.62274858
  H     19.87416766     16.67909451    -12.39005250
  O     21.09927945      9.18106085    -11.27463044
  H     20.72590579      9.61349824    -16.78405194
  H     21.61976404     10.89213969    -11.66409772
  O     16.37346425     10.04775176    -10.70887432
  H     18.97830682     13.41595212    -10.74265851
  H     21.00327131     12.28739033    -11.39365067
  O     20.55930995     14.68688919    -14.81908247
  H     20.26754695     13.95730101    -10.04750329
  H     16.89361219      9.40447160    -12.24058459
  O     21.33197561     15.46261123     -9.80965641
  H     14.84844593     12.25754388    -12.36613018
  H     16.54189901      9.10363057    -13.73960799
  O     20.90767509     11.93730463    -14.54677836
  H     14.12303032     12.69417760    -11.07268024
  H     22.97489996     15.31246478    -13.03203398
  O     14.72487682     11.82937093    -14.06326986
  H     20.68347348      8.88338569    -12.10369510
  H     23.60514207     16.34932785    -13.99382221
  O     17.28262240     10.25165450    -16.68881385
  H     21.53560499      8.42148867    -10.89843229
  H     18.05482915     15.77899564    -14.08455362
  O     18.95681331     10.50351266     -9.79673158
  H     15.91552758     10.88798067    -10.81419495
  H     18.05848048     15.07392428    -12.69407695
  O     20.70382539     16.96413934    -11.98305854
  H     17.22940068     10.23231507    -10.29146554
  H     22.64623548     14.60827437    -10.94278228
  O     21.67892496     11.82405450    -11.91146099
  H     19.93117421     14.94623640    -14.12882477
  H     22.78626084     13.32506834    -11.78594394
  O     17.26751443      9.20976134    -13.11456168
  H     21.39071818     15.12714490    -14.59842278
  H     19.99491613      8.79079107    -14.46488206
  O     22.77671260     15.95190052    -13.74111700
  H     21.47333906     15.99820985     -9.03384188
  H     18.92142339      8.59404203    -13.37987459
  O     18.50200880     15.74594044    -13.23339730
  H     21.07385648     16.06668745    -10.52852120
  H     17.96269896     10.87034041    -13.40061672
  O     23.12145625     14.22657647    -11.69128373
  H     20.83091373     12.88063175    -14.74131603
  H     19.20316919     11.72139419    -13.84533275
  O     19.86431549      8.46754924    -13.56789832
  H     21.28668434     11.85986587    -13.65877263
  H     17.20751233     13.69340431    -15.88726419
  O     18.28313177     11.76803709    -13.56339839
  H     15.30156125     12.31560869    -14.66675607
  H     17.35432840     12.48998934    -14.91507778
  O     16.83392639     12.83632732    -15.65773528
  H     14.76783363     10.91267335    -14.36059880
  H     16.59552946     13.40320985    -11.52974945
  O     17.49347968     13.65270862    -11.77804854
  H     18.21590602     10.08037840    -16.51706082
  H     17.79945886     12.95889334    -12.38542835
          69
 Energy    -249.27126910235995     
  O     13.45462921     13.60800214    -14.81414386
  H     14.21305589     13.95750839    -15.29440169
  H     18.43166879     11.34210303    -15.17305627
  O     18.06293155      6.93769821    -13.99308718
  H     13.23453228     12.76769687    -15.23858394
  H     15.90580671      9.32557353    -19.53744471
  O     19.39777774     11.30709171    -11.74305244
  H     17.79333463      7.27330749    -14.85790850
  H     15.71121737     10.13166933    -18.23346500
  O     17.43114373     14.25867821    -14.00867551
  H     17.28897798      6.49251206    -13.62730247
  H     16.89251160     10.13517835    -12.60422694
  O     15.62018981      6.07244007    -12.68717666
  H     18.88024455     11.65880481    -11.00973424
  H     16.24642257     11.56831085    -12.59503334
  O     15.57632782     10.00365477     -9.75718600
  H     19.11925669     10.38400810    -11.82744913
  H     13.07330607     10.25702966    -16.44257303
  O     13.40015575     13.70309287    -12.11041496
  H     18.21142927     13.71051031    -14.15777911
  H     13.38583864     10.66263184    -14.99275833
  O     13.25405921      8.59509810    -17.21389714
  H     16.94230418     14.28920928    -14.83948611
  H     17.60563440      8.40453568    -11.35246649
  O     16.24987615      7.49709756    -10.35808337
  H     15.76593653      6.58736054    -11.87796331
  H     18.23462356      8.22790083    -12.75448824
  O     16.97488134      8.28041913    -16.23355728
  H     15.35303567      5.19912226    -12.40891356
  H     15.20315807     13.47967248    -11.87588652
  O     14.59751113      7.46919988    -14.93362814
  H     16.22571749     10.71029046     -9.68304978
  H     16.59015176     13.70596044    -12.57479995
  O     17.63776422     10.85266906    -15.41463885
  H     14.77626786     10.38705499    -10.14717874
  H     20.54353740     12.62840296    -14.36462958
  O     15.72394460      9.23455180    -18.60542201
  H     13.37390700     13.67641189    -13.08357373
  H     19.57231395     12.04474814    -13.31440953
  O     16.29061051     10.72993405    -13.07126041
  H     12.79725269     14.39045275    -11.84009993
  H     17.60959204     12.78085880     -9.03931463
  O     13.26923112     11.02247959    -15.88449349
  H     13.56412737      8.06569249    -16.46707231
  H     17.00018504     12.65904373    -10.45561473
  O     18.11638406      8.86042727    -12.03040033
  H     14.00971275      8.67429629    -17.80766456
  H     16.39516773     11.37668781    -16.56943362
  O     16.14203817     13.26065673    -11.83891128
  H     15.92788396      8.38890558    -10.12761517
  H     14.83291432     11.41820500    -16.69823420
  O     19.62564124     12.42126913    -14.21171040
  H     16.48608101      7.07701392     -9.53494990
  H     13.27292874     11.93498257    -11.34664373
  O     17.49474424     12.17687135     -9.76872747
  H     16.63947090      8.42456606    -17.12591931
  H     13.31202737     10.48974389    -11.86509261
  O     15.66316585     11.61776429    -17.15883566
  H     17.31531618      9.13732558    -15.93743159
  H     15.78667362     14.89731515    -17.09244938
  O     13.35397111     11.01950351    -11.05686148
  H     15.42144440      7.75455251    -15.35407969
  H     15.77615941     13.38633641    -16.77236562
  O     15.80116375     14.27045143    -16.37286174
  H     14.85353108      6.91305965    -14.18791436
  H     13.94228712      8.88781725    -13.94833464
  O     13.79058914      9.73000837    -13.50163906
  H     17.09628634     10.82376891    -14.60914781
  H     14.67127434     10.09159794    -13.31224106
          69
 Energy    -249.27125427000158     
  O      9.71246355     10.23066396    -10.99493355
  H     10.37685936     10.54205825    -10.35418089
  H     11.11857970     11.36704568    -17.69917042
  O     14.14469897     10.85283379    -12.79253040
  H      8.89533679     10.12455757    -10.51563671
  H     13.72779400     14.15815512    -15.46458582
  O     16.93277472     13.03557707    -14.06054445
  H     15.01821873     11.05505443    -12.43341407
  H     13.79800319     13.57095404    -14.04486416
  O     16.53752863      8.65317161    -12.23618478
  H     13.60306985     11.64306562    -12.68958302
  H     17.29400139     11.53096754    -15.23429976
  O     10.54148580     11.68088945    -13.23888287
  H     17.48105742     13.81653234    -14.09894757
  H     16.38765150     11.05131546    -16.36219343
  O     12.25449398     14.68900725    -16.49806021
  H     16.04338645     13.31392808    -14.33206029
  H     13.87764509     13.03563295     -9.72332469
  O     14.58714472     11.52184523    -16.66575572
  H     16.59864944      8.42735959    -13.17305509
  H     13.09008431     14.30036002     -9.29873751
  O     13.90712814      9.47553895     -8.90837167
  H     15.66110126      8.37156512    -11.94733223
  H     14.86788253     11.09529289     -9.21400355
  O     12.73575642     13.21847118    -12.62962503
  H     10.82199498     10.95711488    -13.81875941
  H     15.82325044     11.80235024    -10.20502789
  O     13.98134670      9.34140872    -15.06894645
  H     10.14688013     11.26578411    -12.46255957
  H     12.17790102      9.40338193    -15.06048948
  O     11.62393442     11.12786850     -9.31762365
  H     11.94325282     15.56340749    -16.71687740
  H     10.89817258      9.91516022    -15.77499439
  O     10.37097517     10.89056970    -17.29616551
  H     11.49489937     14.21007819    -16.11917639
  H     17.08147319      7.64115444    -15.57027996
  O     14.31839946     13.70119605    -14.85160260
  H     14.31281632     10.72068560    -16.19636383
  H     16.90317303      9.16298451    -15.35158374
  O     17.18793940     10.81631680    -15.87201289
  H     14.48853629     12.25002614    -16.03744415
  H     12.38018072     13.25245093    -17.82318873
  O     13.05920464     13.54359455     -9.87756972
  H     13.85710467      9.03813941     -9.77573335
  H     13.26092872     12.00040185    -17.84582269
  O     15.19717089     11.96105219     -9.48547474
  H     14.13060514      8.80117599     -8.27233716
  H     10.61792765      8.77766939    -11.89276581
  O     11.23313126      9.57457319    -14.93632382
  H     11.89664241     12.76397825    -12.79747093
  H     11.10197087      8.48904441    -13.32060986
  O     16.60119540      8.28508052    -15.05674083
  H     12.79053623     13.42401364    -11.68762794
  H     16.93461583     11.87655048    -12.53629711
  O     12.45137056     12.37647707    -18.22029202
  H     14.05651473      9.87997832    -14.26422437
  H     16.82710610     10.41465282    -11.93919365
  O     11.16263686      8.17248263    -12.41096003
  H     14.77721783      8.79917503    -15.10772353
  H     10.09023434     12.44319211    -16.19449484
  O     16.68766978     11.35889852    -11.76127449
  H     12.35298360     10.53782002     -9.08946668
  H     10.17346960     12.79425390    -14.70330108
  O     10.17559596     13.18725631    -15.58537595
  H     12.01857886     11.99524925     -9.46479061
  H     12.86515623      8.18388292    -11.73624441
  O     13.73464952      8.49192714    -11.44453160
  H      9.81006736     10.60444528    -18.01225477
  H     13.84540529      9.35318053    -11.87539956
          69
 Ord_Energy   -249.270767    
 O   -4.74690866      -3.39576721       7.18313074    
 H   -5.01223183      -4.27561998       7.44101286    
 H   -4.51542902      -3.45644379       6.24215412    
 O   -7.02543879      -4.02166080       1.37007499    
 H   -7.39714670      -4.36205053      0.548694491    
 H   -6.30621767      -3.42095590       1.11717844    
 O   -5.09619761      -5.35826921      -1.48766971    
 H   -6.03635979      -5.14453459      -1.45982695    
 H   -4.68656397      -4.74106121      -2.10593796    
 O   -3.65484095      -6.24357557      0.620043278    
 H   -3.30596709      -7.10452843      0.406651467    
 H   -4.19950962      -5.96580648     -0.139417887    
 O   -2.20792675     -0.288135558       2.08845568    
 H   -3.14030910      -7.60499313E-02   2.24124265    
 H   -2.04538989      -8.82531032E-02   1.15931582    
 O   -6.12455797      -1.32483733       4.40105772    
 H   -6.22358274      -1.08687282       5.33238125    
 H   -5.50821638      -2.07081413       4.37266636    
 O   -5.17748594      -5.43258286       2.89956045    
 H   -4.64224958      -5.82367468       2.19976926    
 H   -5.93486643      -5.03498220       2.44658589    
 O   -8.23721027      -1.86547613       2.63569260    
 H   -7.60528803      -1.65493965       3.33488441    
 H   -7.93549109      -2.69970417       2.25019455    
 O   -4.94525290      -7.87314028E-03   2.30822039    
 H   -5.39676523     -0.356094658       3.09096289    
 H   -5.54980230      0.582352996       1.84486413    
 O   -1.96185732      -2.39308953      -1.55355561    
 H   -2.04370070      -2.88119531     -0.721828282    
 H   -1.94394898      -1.45931113      -1.31270754    
 O   -7.87082052      -4.69434547      -1.23170829    
 H   -8.06781387      -3.75256133      -1.38373899    
 H   -8.60876942      -5.18895721      -1.57744288    
 O   -4.97032356      -2.29423356      0.674279511    
 H   -4.92839146      -1.50851190       1.23409414    
 H   -4.12110853      -2.75051546      0.733308375    
 O   -4.25014877      -3.39723301       4.45312881    
 H   -4.56043673      -4.15808487       3.93804336    
 H   -3.39029431      -3.13504148       4.10544920    
 O   -5.55401278      -1.59885967      -1.93235004    
 H   -5.03213596      -2.17679954      -2.50073624    
 H   -5.35061073      -1.85740960      -1.01884890    
 O   -8.85889149     -0.214488968      0.629816175    
 H   -9.79186058      -2.27527395E-02  0.679605603    
 H   -8.65489578     -0.804316998       1.38013399    
 O   -1.77415013      -2.63920784       3.31021094    
 H   -1.87956727      -1.75884652       2.90308666    
 H  -0.947387815      -2.62749076       3.78447580    
 O   -3.83891463      -3.43110585      -3.18046570    
 H   -3.49665928      -3.55419683      -4.06128120    
 H   -3.11146498      -3.06656671      -2.64265728    
 O   -8.25261688      -2.03137827      -1.54683256    
 H   -8.49548054      -1.42316377     -0.840982378    
 H   -7.34695005      -1.79771042      -1.80031502    
 O   -6.69975567       1.51808965      0.703321755    
 H   -7.03850079       2.39396334      0.873850346    
 H   -7.46972036      0.931580663      0.629537404    
 O   -2.04428124      0.325216293     -0.691947103    
 H   -2.96516991      0.583218098     -0.874317288    
 H   -1.49304926       1.01287365      -1.05693102    
 O   -2.53629208      -3.69416094      0.829322219    
 H   -2.82130075      -4.61696577      0.834198654    
 H   -2.20093060      -3.46773005       1.70531774    
 O   -6.13274336     -0.994059801       7.14377832    
 H   -5.80701113     -0.406415105       7.82068586    
 H   -5.65674734      -1.83208740       7.26810122    
 O   -4.63891220      0.927430391      -1.23249769    
 H   -4.97996664      0.107439943      -1.61818254    
 H   -5.31774330       1.22574484     -0.618147552    
          69
 Energy    -249.27071810657975     
  O     -2.00556634      3.92133846      4.15227454
  H     -2.34388723      3.79252918      5.03457385
  H     -1.97640479      5.41002725     -2.12589031
  O     -4.30511692      0.83923259     -1.27743963
  H     -1.03675052      3.84379814      4.21272672
  H     -1.13763089      3.39968467     -2.25726500
  O     -2.75079377      1.11291195     -3.73506504
  H     -4.31837003      1.71737259     -0.87748724
  H     -2.33542709      2.81604951     -3.03713411
  O     -3.94534342      6.22134112      0.28310214
  H     -3.93749038      0.96274039     -2.16029275
  H      3.33078089      5.78266742      3.26492067
  O     -0.83488456      0.23071532      1.27801634
  H     -2.12237546      0.41821009     -3.48469744
  H      2.91174797      4.82098523      2.12957928
  O      0.76867507      0.30534712     -1.03918533
  H     -3.06057941      0.89839190     -4.61220815
  H     -0.93405637      3.29795817      1.18938048
  O      0.54966726      7.23084176     -1.03711289
  H     -3.39973559      6.22981183      1.09080990
  H     -0.00576330      4.55882276      1.16904076
  O      0.70900301      3.63958677      4.23387997
  H     -4.64552848      6.85424200      0.41571403
  H     -3.18874694      3.50495010     -1.05417006
  O     -2.48454363     -1.13721105     -0.56564591
  H     -0.07597053      0.49974366      1.81118046
  H     -4.01462301      4.40694496     -0.10823003
  O      1.31300034      1.65636041      2.35348630
  H     -1.50401966      0.91292802      1.44079506
  H     -2.30770245      5.46664863      3.10494361
  O      3.45021576      3.94138215      0.74106750
  H      0.18820623      0.29241445     -0.26293152
  H     -1.42941651      6.34996596      2.19843836
  O     -1.88904597      6.27707331     -1.70993435
  H      0.29219605     -0.15857320     -1.73663054
  H     -2.45809923      2.91257712      2.62867520
  O     -2.06104921      3.56752731     -2.49986972
  H      0.65621636      8.09585253     -1.42388070
  H     -3.02226283      2.80913609      1.15442411
  O      2.57312210      5.36509362      2.86432779
  H     -0.32349178      6.90372389     -1.32032037
  H      1.12182042      6.14671240      2.03710405
  O     -0.07060587      3.63114985      0.91364726
  H      1.32807733      4.29596402      3.89282417
  H      0.46727679      6.71605652      0.72856337
  O     -3.81480014      3.48579291     -0.31516085
  H      0.95815673      2.81589025      3.79306208
  H      1.82817877      5.86235958     -1.43021581
  O     -2.34734178      6.17054134      2.44763768
  H     -1.97040926     -0.82105312      0.18749272
  H      1.79256789      4.36347390     -1.77249923
  O     -2.42084058      2.41573160      1.80225881
  H     -3.20902322     -0.50580994     -0.69268320
  H      0.64790045      2.07331841     -1.61209479
  O      0.28259022      6.33242619      1.59615066
  H      0.91313341      2.39077719      1.85875343
  H      0.32959637      3.30774255     -0.74998124
  O      2.39056798      5.08665072     -1.53880682
  H      2.08076434      1.38722237      1.83736667
  H     -1.59544667     -1.10043763     -2.01507650
  O      0.49353360      3.02303079     -1.66492970
  H      3.42370280      2.99899935      0.55212098
  H     -0.91865764     -1.80923467     -3.21610258
  O     -1.06781198     -0.95281129     -2.82440414
  H      3.16505498      4.38677486     -0.07176334
  H      2.38418640      0.75656768     -0.26617744
  O      3.13386266      1.06023116      0.26975031
  H     -2.60625430      6.33943174     -1.06770626
  H      3.85740449      0.46632101      0.08372106
          69
 Energy    -249.27065968725702     
  O     18.88906030      5.10763370    -13.72032418
  H     19.71379259      4.68666527    -13.94876935
  H     14.85462192      9.82626077     -9.87779862
  O     14.24714197      9.96096066    -12.94241882
  H     18.52030107      5.46546746    -14.54811528
  H     15.49392632      8.64480416    -13.11211093
  O     11.29595476      8.93331784    -10.72520297
  H     13.65983343      9.49653968    -13.55229884
  H     16.33702423      8.04003700    -14.26263892
  O     17.67250781      6.03705437    -15.97455025
  H     14.62620179     10.70983165    -13.42441706
  H     17.24734385      4.09197527    -13.53657631
  O     15.24232541      4.46880244    -15.99272256
  H     12.16095823      9.26902804    -10.45723702
  H     15.80933322      4.30443488    -13.01931376
  O     16.67107342     10.01959514     -9.39015910
  H     11.25762317      8.01995845    -10.41514196
  H     15.10298392     11.27551153    -15.42633856
  O     11.39340602      6.11194155    -10.21376699
  H     16.83267439      5.57935015    -16.09991962
  H     16.35253939     11.56090611    -14.56578441
  O     16.93506680      8.72750784    -15.87382313
  H     17.48940468      6.98045412    -16.07499365
  H     18.87714498     11.32010316    -14.53711610
  O     10.45591045      8.83590564    -13.29999648
  H     15.62038155      4.12385653    -15.16255350
  H     18.13808970     10.52581837    -13.43866000
  O     10.91911609      6.02120422    -12.90334552
  H     15.15742937      3.72368060    -16.58237334
  H     11.88843993      8.72868187    -14.43974478
  O     13.22046875      5.86547507    -14.56147381
  H     16.79017206      9.05565954     -9.30270814
  H     12.93599233      7.63973359    -14.81546336
  O     14.01940720      9.53836901    -10.26431478
  H     16.99194033     10.40919243     -8.58089612
  H     14.04067434     10.00138594    -17.46820682
  O     16.02930562      7.88112157    -13.36283795
  H     10.79336550      5.52768926     -9.75787083
  H     13.79698201      9.41411380    -16.06034571
  O     16.34582807      3.75737346    -13.61119467
  H     11.23755792      5.98513088    -11.16623819
  H     17.72031959     10.12395058    -11.02337283
  O     15.41054869     11.75925622    -14.64983302
  H     17.41070032      9.44457725    -15.43214265
  H     18.45583841      9.00104477    -11.77314088
  O     18.08679353     10.81386320    -14.36751534
  H     16.12004303      9.10060304    -16.23319851
  H     15.27352682      6.42903166    -12.72735066
  O     12.73881095      8.58589351    -14.87612652
  H     10.75576463      8.95460705    -12.38035650
  H     14.55019785      5.95891461    -11.44170842
  O     14.45489422      9.85868163    -16.62071978
  H      9.62923214      9.30391041    -13.38056549
  H     17.43093785      7.43701759    -12.35590913
  O     18.26162033      9.94766317    -11.80118491
  H     11.60803507      5.81659995    -13.54783264
  H     18.57268466      6.40892835    -12.37962034
  O     14.79589883      5.68257477    -12.33238162
  H     10.62793610      6.91817061    -13.10851083
  H     15.99748417      6.93540637     -9.45842109
  O     18.20473945      7.13040041    -11.85722560
  H     13.68311612      5.77574632    -13.71305745
  H     17.37400750      7.09216314    -10.16548550
  O     16.87814823      7.31928087     -9.36697670
  H     13.77522634      5.40539896    -15.20136459
  H     14.07573905      7.71967614    -10.00251297
  O     14.11575716      6.75942820     -9.88036963
  H     14.07791095      9.74588911    -11.21027979
  H     13.20112677      6.45149383     -9.85815969
          69
 Energy    -249.27040216568543     
  O     17.61015795      7.76978927    -15.90596620
  H     16.72152822      7.42010261    -15.73988465
  H     18.02266572      3.90643273    -12.11946694
  O     19.52357945      5.33556220     -9.44356371
  H     18.11109272      7.06313878    -16.33295379
  H     17.31046517      9.51479846    -15.74949235
  O     15.86700139      9.67805232    -10.68238554
  H     20.16292351      5.09788024     -8.77763348
  H     17.22792573     10.90430386    -16.41384700
  O     14.53580309     10.66950000    -14.24585431
  H     19.32617862      6.28265795     -9.31633762
  H     17.61974854      6.83756622    -12.99636089
  O     18.86379096      5.47843752    -16.89272897
  H     16.79124293      9.54015517    -10.93632903
  H     18.34811777      7.50797786    -14.17357810
  O     16.80173286      4.44018827     -9.47085185
  H     15.61212439     10.54059659    -11.02970167
  H     13.56100344      7.90314793    -12.86046936
  O     14.32687211      7.49377491    -11.26946159
  H     14.10773240      9.81309514    -14.13247999
  H     12.30273172      8.11593720    -13.72780130
  O     19.55830877      4.92036262    -12.21812165
  H     15.33299397     10.52518186    -14.77129008
  H     16.05063808      8.94145535     -8.93672793
  O     14.67654830      6.02239686     -8.92930418
  H     19.17823739      4.93296394    -16.14928900
  H     15.71354152      7.56885751     -8.33545721
  O     16.09148125      5.96508012    -12.76414662
  H     19.45439112      5.31159500    -17.62252172
  H     16.69830643      3.02615748    -15.27528344
  O     19.53303382      3.84726513    -14.83237656
  H     17.70802030      4.74788480     -9.34766574
  H     16.84941083      1.51130598    -15.00199710
  O     17.14482853      3.49626917    -12.08325161
  H     16.81375413      3.93568170    -10.29427466
  H     18.02128504      8.04911130     -8.67553917
  O     17.04155792     10.43583838    -15.60302031
  H     14.84600160      8.29123005    -11.07828434
  H     18.89094087      8.49991363     -9.87154313
  O     18.45596731      7.25969746    -13.24895234
  H     14.29539532      6.97818875    -10.45306096
  H     18.58301025      8.65661318    -12.09782688
  O     13.25633514      8.15388273    -13.74830096
  H     19.67430118      5.03976014    -11.26633794
  H     18.48183273     10.20322707    -11.99953378
  O     16.26689916      8.34717439     -8.20561202
  H     19.31350351      5.78570491    -12.57751504
  H     15.52147635      6.29176331    -14.38768042
  O     17.06211315      2.37248546    -14.65224681
  H     14.13903076      5.58594601     -8.27378516
  H     14.40548429      7.16080144    -14.96721478
  O     18.87074336      7.90122829     -9.11443324
  H     15.43719277      5.43793944     -9.09998706
  H     17.10161066      4.68966820    -16.71433512
  O     18.52384099      9.39229243    -11.47301818
  H     16.32185168      5.08589931    -12.44036302
  H     15.73426323      5.05248751    -16.10538619
  O     15.16353176      6.62756434    -15.22662787
  H     15.49797669      6.40186504    -12.14073978
  H     14.81014793     12.86868516    -11.94929877
  O     16.27400605      4.30705646    -16.39768860
  H     18.79860815      3.22629955    -14.75344545
  H     14.95185403     11.61253051    -12.84606273
  O     15.30529285     12.06156602    -12.05667981
  H     19.71393645      4.16255128    -13.93755638
  H     17.12809016     11.87670561    -12.71169130
  O     17.95417492     11.55284954    -13.09167344
  H     17.03777977      2.99921896    -12.90338957
  H     17.72052525     11.20284765    -13.95985915
          69
 Energy    -249.27038750177462     
  O     -3.63644330     -3.61473638      0.18430209
  H     -4.02860898     -3.82199270     -0.65976678
  H      0.07064355     -5.90052336      2.77293549
  O     -2.11174481      2.28817510      5.25779089
  H     -2.68525097     -3.48031562      0.02599956
  H      2.13029993     -2.43550019      5.74956699
  O      2.32015036      0.35930716      4.17777162
  H     -1.38883150      1.71758473      4.96307636
  H      2.79496386     -1.27598336      4.96928737
  O     -1.92366449      0.35594294      1.88703407
  H     -2.67558126      1.71856614      5.79583311
  H     -0.47155861     -3.02528978      1.71060886
  O      0.51511161     -3.22233266      6.39400907
  H      2.63753308      1.23965901      4.36072517
  H      0.29733224     -3.56466130      2.96685578
  O     -3.76243538      0.22049739      6.38426114
  H      1.34866956      0.39199831      4.22971410
  H      3.55370783     -3.47430770      4.35198457
  O     -1.66196875     -1.59075653      5.92650123
  H     -2.39814019      1.17725451      2.06604503
  H      4.55194176     -4.64533784      4.17823606
  O     -4.87473677      0.33301860      3.90893198
  H     -2.58005418     -0.35406145      1.92853474
  H     -3.94723062     -2.23301747      1.42458508
  O     -0.12503219     -0.57836840     -0.09640086
  H      0.45733341     -3.58382540      7.27596589
  H     -3.47229447     -2.18211205      2.88654014
  O      1.00682825     -4.87240351      4.07191616
  H     -0.24433322     -2.62630960      6.29412553
  H      3.37031519     -3.88191751      2.01393729
  O     -3.07457759     -5.39554178      2.43043595
  H     -4.44443018      0.25886735      7.04951823
  H      2.75289645     -2.68090059      1.27678566
  O     -0.42692921     -6.16696983      1.98902196
  H     -4.21462716      0.21332500      5.52087941
  H     -0.78043532     -0.39994810      4.80250244
  O      2.94911723     -2.16251941      5.31752288
  H     -2.06431287     -2.22428053      5.30899553
  H     -0.85123092      0.24516562      3.38523148
  O     -0.15571886     -2.79496373      2.59527990
  H     -2.36499194     -0.99716569      6.21685822
  H      1.16851974     -1.63047472      2.14533771
  O      3.74925249     -4.27102079      3.82582111
  H     -4.69346391     -0.38114360      3.28352749
  H      2.20282868     -0.54069837      2.50518056
  O     -3.86185334     -1.64294047      2.18272180
  H     -4.53707363      1.13607136      3.49382654
  H      1.54821125     -5.51359491     -0.87443732
  O      3.01525469     -3.60443791      1.16135891
  H      0.70366732     -0.61908961      0.39894284
  H      1.84604090     -4.53294848      0.28305059
  O     -0.39746353      0.28495443      4.23901667
  H     -0.75773552     -0.15389231      0.49916102
  H     -2.94256085      2.59525622      3.72662603
  O      1.90615542     -1.11011929      1.78781958
  H      1.96618775     -4.80120881      3.98001552
  H     -3.59584481      3.46711751      2.62609363
  O      1.13438191     -5.01503347     -0.17501134
  H      0.77375730     -4.42797574      4.89611359
  H     -1.65966195     -3.03227099      3.51738278
  O     -3.39745728      2.56631423      2.86621396
  H     -3.36268411     -4.94110665      1.63118584
  H     -2.78866971     -4.08398275      3.59353709
  O     -2.48998585     -3.24368887      3.97193569
  H     -2.19543502     -5.75628473      2.23813886
  H     -0.24562814     -3.79520985     -0.27140518
  O     -0.96529670     -3.17750234     -0.09058890
  H      0.09944003     -5.88093716      1.23409174
  H     -0.65463719     -2.27077676     -0.24229844
          69
 Energy    -249.27023935924916     
  O     13.38924524      3.86017948    -21.00250047
  H     12.96883411      4.26643057    -21.75548999
  H     11.68008562      0.51092917    -18.27689778
  O     14.25572981      5.80177691    -19.33845068
  H     13.66814760      4.58374565    -20.41224089
  H     15.95931866      0.23980089    -18.57648729
  O     19.14473442      3.47941099    -15.95061918
  H     13.84702443      6.05171672    -18.50202927
  H     16.29017809      1.43840647    -17.67537261
  O     14.99531068      3.63178308    -13.25054120
  H     15.18976023      5.65224514    -19.13350468
  H     17.45798427     -0.98651139    -15.25273764
  O     15.41278505      5.84468068    -15.07643974
  H     18.52283267      3.01778087    -15.37230649
  H     16.69015748     -0.15804447    -16.30952240
  O     19.04370380      1.93051516    -18.26181321
  H     19.21512724      2.94290586    -16.75358999
  H     11.14435764     -0.65187381    -14.63166068
  O     12.97519430      2.26885709    -14.37870710
  H     14.23834376      3.12850602    -13.60387539
  H     11.67839474     -0.21036125    -16.01198517
  O     14.55104108      0.07319677    -19.73056988
  H     14.81816688      3.78381689    -12.32630570
  H     12.65813330      2.46268841    -18.30326166
  O     18.08536157      5.92570881    -16.17995789
  H     16.32827737      5.86388666    -15.37921780
  H     12.69640258      2.56214103    -19.84063089
  O     13.48265004     -2.18769794    -18.45345212
  H     15.33392489      5.12848320    -14.43541485
  H     16.15644681      3.75447700    -17.57991607
  O     13.27402423      6.25004119    -16.69946480
  H     18.84812570      2.45556822    -19.04735964
  H     16.23286532      2.92477923    -16.24793321
  O     11.45604573     -0.26824755    -17.75114820
  H     18.30694500      1.31114073    -18.18665365
  H     12.98207549      4.41256846    -16.83579617
  O     16.58625609      0.54464654    -17.91005434
  H     12.90187484      2.69575921    -15.24450448
  H     14.02998871      3.27750773    -16.95451698
  O     16.68843525     -0.43464624    -15.37533708
  H     12.62609355      1.37950609    -14.50131644
  H     18.57931622      3.67747041    -21.25629920
  O     11.90152637     -0.26639743    -15.06540488
  H     14.22047468     -0.78436125    -19.43537646
  H     17.28758848      3.04605477    -20.68612111
  O     12.54337001      1.94552773    -19.11454258
  H     13.86886073      0.71809130    -19.49107708
  H     13.46938811     -1.24413628    -15.47121376
  O     15.76474210      3.02187872    -17.08757300
  H     18.71822908      6.59822949    -15.94407531
  H     15.01076295     -1.30307488    -15.59788161
  O     13.07792865      3.45387740    -16.87641789
  H     18.53381759      5.06616510    -16.07278965
  H     16.33627881      2.67564222    -14.04776656
  O     18.10704907      3.51526624    -20.44418139
  H     13.79227487     -2.07944111    -17.53587104
  H     16.81496339      1.34880067    -14.73081421
  O     14.19577132     -1.73902906    -15.87144526
  H     13.41098005     -3.12498243    -18.61122215
  H     17.37718301      5.51239195    -17.84813963
  O     16.98538498      2.29563953    -14.65378557
  H     14.05111089      6.15562762    -16.11928475
  H     17.40664748      4.68032254    -19.18803775
  O     16.83846892      5.14730673    -18.56130081
  H     12.73774870      6.94521945    -16.32850332
  H     15.46284904      1.43531703    -20.72914664
  O     15.77109834      2.28842754    -21.05730610
  H     12.01715079     -0.97978396    -18.08303616
  H     14.98592125      2.84726285    -21.11329606
          69
 Energy    -249.27006825738323     
  O      2.78419244     -0.22883020     -0.46738407
  H      2.41956325     -0.77288371     -1.17940133
  H      1.28568302     -6.78456319      3.12415704
  O     -1.82791200     -3.66874501      1.81560444
  H      3.49236381     -0.73597608     -0.05405556
  H      3.24299885     -6.02283915     -2.60441995
  O      1.19556950     -6.42942714      0.09782440
  H     -2.34268261     -3.31888423      1.07786081
  H      4.11212645     -4.92106646     -1.94683650
  O     -1.39848288     -6.30978408      1.01455210
  H     -1.00694048     -3.15479139      1.83094689
  H      5.26125347     -6.42100093      2.50842967
  O      4.26411307     -3.04756853      3.13017170
  H      0.24410619     -6.47098741      0.26946451
  H      3.76928550     -6.02729249      2.44033457
  O      0.16502053     -5.69585513     -3.51744995
  H      1.39470919     -6.86833421     -0.73774277
  H      1.03485678     -2.75466259      1.11609732
  O      1.80241473     -3.75792205     -0.13312318
  H     -1.21535382     -6.80007618      1.82432084
  H      0.55180797     -1.35708257      1.62209152
  O      1.89197769     -7.39838006     -2.40177886
  H     -1.55887323     -5.39473056      1.29289386
  H      4.66083613     -4.82566033      0.54567918
  O      2.07503317     -3.65661367     -4.28003953
  H      3.39511824     -3.14370724      3.53938766
  H      4.80826264     -3.36471844      0.03846483
  O     -2.90418225     -2.68250957     -0.58300158
  H      4.54448862     -3.94754607      2.92364148
  H     -0.58801749     -0.34813016     -0.42740924
  O     -0.50787268     -7.26408651      3.59059105
  H     -0.52916589     -5.41967684     -2.90012264
  H     -0.22803405     -1.22552993     -1.63690755
  O      2.03099588     -6.35733568      2.68615959
  H      0.62946157     -4.90662576     -3.81544166
  H     -1.76710258     -5.64966342     -0.80773836
  O      3.73859806     -5.21517290     -2.78692412
  H      1.45219093     -4.65795327     -0.13823175
  H     -2.14444860     -4.25854968     -1.33715549
  O      4.66777007     -5.73486619      2.21296654
  H      2.76273334     -3.85341478     -0.15567572
  H     -0.17548498     -4.30107068      4.40531217
  O      0.57491497     -2.29675099      1.83617061
  H      1.23468104     -6.83868909     -2.85885956
  H     -1.48539646     -4.29865423      3.58956511
  O      4.55307214     -4.25823587     -0.22845901
  H      1.89925223     -8.23944856     -2.84922951
  H      1.40081058      0.24604498      0.45604036
  O     -0.97669411     -0.87760470     -1.13287129
  H      2.40267335     -3.58475132     -5.17241252
  H      0.58050868      1.23429410      1.32331874
  O     -1.72424569     -5.08911022     -1.59009186
  H      2.72782797     -4.18213159     -3.78299493
  H      1.76936642     -4.63202923      3.46753740
  O     -1.04408901     -4.71858139      4.33993955
  H     -3.74246028     -2.34404908     -0.88537180
  H      1.25941625     -3.18637835      3.21243622
  O      0.56607006      0.35902969      0.94722507
  H     -2.23460835     -2.00817785     -0.79830355
  H      1.59341471     -2.41383789     -3.00888361
  O      1.62604646     -3.77509132      3.89161284
  H     -0.85945912     -7.91211078      4.19487924
  H      1.44949108     -2.63871611     -1.48925517
  O      1.37764347     -1.96553832     -2.18305784
  H     -0.75413858     -6.38912901      3.94301165
  H      5.66446418     -1.17453242      1.01544305
  O      4.87507281     -1.68785198      0.86027238
  H      1.81772906     -6.38373256      1.73954237
  H      4.62402118     -2.07845840      1.71649183
          69
 Energy    -249.26998706830977     
  O     10.29185744     10.35971713    -12.18002574
  H     10.33641670      9.52848683    -11.67271745
  H     18.65630339      6.89953046    -14.93533619
  O     14.20822420      7.16865257    -15.22867595
  H      9.65719398     10.91848325    -11.74056264
  H     15.73777881     11.78725544    -15.56281424
  O     17.43324907      9.96869306    -10.50112246
  H     13.73195404      7.98731645    -15.42985281
  H     17.24275977     11.58968471    -15.32177182
  O     18.66029949     10.64202554    -16.21967299
  H     14.83698662      6.97568980    -15.93460833
  H     15.46390567      8.00145789    -14.16645763
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  H     17.63141450     10.67020026     -9.88559040
  H     15.95336428      9.16776995    -13.23590504
  O     13.08979078      5.77039093    -13.16452689
  H     16.86014196     10.35309752    -11.18570252
  H     11.58461336      7.88380480    -10.88229860
  O     15.75638522     10.84645199    -12.48959664
  H     18.83902454      9.96377119    -15.54425330
  H     10.41302398      7.28162326    -11.67379278
  O     16.47760569      9.42176419    -17.56505389
  H     19.50509222     10.98768228    -16.49475595
  H      9.58873586      5.78898183    -13.65528930
  O     15.22337576      4.29794763    -12.20067832
  H     13.03025762      9.86389606    -14.41725356
  H     10.31967912      7.13811751    -13.85058219
  O     18.83710229      8.71238124    -14.34892074
  H     13.40309301     10.20729818    -15.89670640
  H     18.75786970      7.31659982    -11.75969871
  O     16.34738394      6.62386021    -16.96448287
  H     13.46740399      6.19671169    -13.94945119
  H     18.74727084      8.76756723    -11.24375839
  O     18.20450219      6.05178239    -15.04459477
  H     12.12966495      5.83150212    -13.24013339
  H     16.59526655      5.43310316    -12.22475978
  O     16.43388923     11.91236283    -14.90665914
  H     16.01667463     11.31405163    -13.29841071
  H     16.83033332      6.90551731    -12.69958512
  O     16.19833626      8.32290362    -13.63149135
  H     14.79121718     10.80078200    -12.46575302
  H     16.39151290      6.97942451    -10.65741047
  O     10.62500707      7.93667690    -10.99774886
  H     17.29065072      9.78544199    -17.19066580
  H     16.40821339      8.41475946    -10.11356094
  O     10.33652277      6.29905323    -13.35577144
  H     16.48831619      8.47288141    -17.39631114
  H     15.19897281     10.53171530    -17.22711034
  O     19.29133941      8.12035515    -11.71078767
  H     14.41742465      4.72400921    -12.53247403
  H     14.32981351     11.72355232    -17.70056283
  O     17.24636152      6.15011359    -12.25330795
  H     14.93361324      3.61347036    -11.60236225
  H     13.36194782      7.08571968    -11.89141267
  O     15.89139796      7.59931582    -10.11507958
  H     17.88102003      8.61450534    -14.21400812
  H     14.24154231      7.74570969    -10.78392051
  O     14.53753715     11.18786999    -16.93955562
  H     19.22422534      8.59205877    -13.47050047
  H     12.15718488     10.45243429    -12.44665285
  O     13.41112540      7.82647785    -11.27347158
  H     16.40124050      5.97295422    -17.65995123
  H     13.22250693      9.37036099    -12.14218615
  O     13.07409293     10.20526159    -12.61466609
  H     17.00682638      6.37014617    -16.29544732
  H     10.20566912      9.37504379    -13.84031490
  O     10.34740481      8.73957647    -14.55323054
  H     17.94475899      5.80021268    -14.15173971
  H     11.16239722      9.01737134    -14.99140459
          69
 Energy    -249.26955565982271     
  O     -2.36302724      1.34417675      2.93666412
  H     -1.48437353      1.66677747      2.70309069
  H     -1.19105174     -2.16596711     -1.45862762
  O     -2.64166891     -2.20888940      6.96636728
  H     -2.64056666      0.80114898      2.18956360
  H     -2.54514800     -5.68469641     -1.01931129
  O      1.79498260      0.31837886      3.36432584
  H     -2.90021075     -1.76276282      7.76911816
  H     -2.06775851     -4.23109105     -0.77918315
  O     -3.00427264     -0.62675310      4.72416370
  H     -2.82837630     -1.59542876      6.23605957
  H      2.68317251     -2.30538758      1.85637972
  O      1.97939035     -4.16060495      4.34311641
  H      2.37216931     -0.41307614      3.11931781
  H      4.08075440     -2.21318833      2.51028074
  O     -3.87871975     -4.54515063      5.83308179
  H      1.11622562     -0.07683276      3.93161025
  H      0.17489053     -2.19049806      1.49418109
  O     -0.28910406     -3.46104272      5.95557078
  H     -3.49149137     -1.19080277      4.10723392
  H     -0.39380562     -1.66459610      2.85598744
  O      0.84087223     -6.31904249      3.16960517
  H     -2.85229393      0.20795564      4.25634622
  H     -2.40011946     -4.55760414      1.30303012
  O     -5.99880035     -3.52640218      4.40483758
  H      1.37827783     -3.82554865      5.01930834
  H     -1.71398487     -3.41210685      2.09275068
  O      0.25153386      2.04404095      1.96708585
  H      2.35936839     -3.40247599      3.88469477
  H      1.35040018     -3.59666724      0.44176113
  O      0.64787570     -5.19355823      0.54062940
  H     -3.13899508     -5.00121735      5.41396480
  H      1.34933457     -2.21571111     -0.30962258
  O     -2.04465933     -2.55068680     -1.22456125
  H     -3.49492495     -3.79976193      6.31086697
  H     -5.03520710     -2.54747207      3.25860775
  O     -2.04716428     -5.13653317     -0.41938257
  H     -0.98882305     -3.07284211      6.49547731
  H     -3.71055892     -2.89485968      2.54594384
  O      3.14888655     -2.10652612      2.68706482
  H     -0.71673913     -4.15736972      5.43431484
  H      0.12015769     -0.46601507     -1.21871874
  O     -0.63362642     -1.99868574      1.98252086
  H      1.31175318     -5.56669210      3.57264829
  H      0.79703485     -0.99127239     -2.50841735
  O     -2.40826655     -4.08740648      2.14496864
  H      1.36507392     -7.09595345      3.34724232
  H     -0.15317097     -1.90457654      5.06425480
  O      1.63644015     -2.66945737      0.49189095
  H     -6.81699329     -3.93278060      4.67574897
  H     -1.17425101     -0.82866932      4.62637332
  O     -4.30417125     -2.15926925      2.75676588
  H     -5.29894298     -3.95421274      4.92708687
  H     -0.33420970      1.25789735      0.38511183
  O      0.48661710     -1.26074684     -1.64799588
  H      0.85641201      1.44315383      2.43669148
  H     -1.56823967      0.45295667     -0.07029822
  O     -0.24412644     -1.08213577      4.56539143
  H      0.61707680      2.92087467      2.05239531
  H     -3.51885448     -1.10023462      1.41270025
  O     -0.71473699      0.78845221     -0.36896356
  H      0.66112093     -5.63509010      1.39869062
  H     -1.98226626     -1.08758888      1.25668912
  O     -2.80164919     -0.70037950      0.90200473
  H     -0.24546641     -5.28886698      0.18959759
  H     -1.93822241     -4.95712413      3.62118578
  O     -1.55348696     -5.40108108      4.39271614
  H     -2.46332658     -1.92631024     -0.62131250
  H     -0.79876873     -5.89341762      4.04922045
          69
 Energy    -249.26934244315157     
  O     15.65511508     11.30045554     -9.07124596
  H     16.00641476     11.83785697     -8.36617611
  H     14.31169570      6.60093665    -15.09953221
  O     12.69080724      5.95272202    -11.67092164
  H     16.34502160     10.65148838     -9.29763596
  H     16.54479554      6.02804424    -14.86906549
  O     17.43438689     10.04550866    -12.54857212
  H     13.25858212      6.27766806    -10.95790102
  H     17.64553432      7.10920338    -14.68826391
  O     17.84940881      8.87774276    -14.99538869
  H     13.22218169      5.30754045    -12.15139519
  H     14.98516922      7.98778694    -11.44392002
  O     15.79273646     12.02893796    -13.77547845
  H     17.79086318      9.59752834    -13.32829461
  H     15.88342477      9.02217882    -12.21174438
  O     14.53442799      7.05840829     -9.90373920
  H     16.96892638     10.82235256    -12.88274038
  H     13.03520848      9.61279347     -9.67179280
  O     15.33194446      9.97535227    -15.67299791
  H     18.32880890      8.81967773    -15.83394761
  H     14.22951500     10.06920824     -8.81909147
  O     15.74097165      6.21222749    -17.86636984
  H     16.97565120      9.23399250    -15.20694805
  H     14.32756147      3.32166920    -13.31356056
  O     11.28097421      7.85954457    -12.96727174
  H     15.23703527     12.09629311    -12.97766865
  H     14.53776589      4.71247443    -13.95294480
  O     16.91976134      5.32092157    -12.02451927
  H     16.06515334     12.91676216    -13.99329866
  H     13.52179731      9.51885723    -11.74656724
  O     13.63149097      8.14922717    -14.48738267
  H     14.21025445      7.82364765     -9.40365289
  H     12.01400410      9.34176287    -11.97514273
  O     14.77833044      5.78867916    -15.34176156
  H     15.43940097      6.87288899     -9.62983573
  H     17.84004592      6.09273043     -9.11842575
  O     17.48180822      6.15539645    -14.66195110
  H     15.40345111     10.73306494    -15.07856535
  H     17.22330320      6.15831568    -10.53439108
  O     15.03562606      8.56535962    -12.21652071
  H     14.64421922      9.39075831    -15.32223674
  H     18.21897962      5.71337956    -16.26285683
  O     13.54203164      9.39404074     -8.87844441
  H     15.76221443      7.15846704    -18.05566039
  H     19.06358193      4.88121272    -17.25381400
  O     14.46511584      4.24256575    -13.10481126
  H     16.66375907      5.93466371    -17.80839182
  H     17.66805928      9.69879708    -10.76489824
  O     12.65783007      9.90294159    -11.53001624
  H     11.73359191      7.14496504    -12.48053209
  H     17.51041229      8.53151803     -9.75868940
  O     17.30826210      6.63919943     -9.69115755
  H     10.36657640      7.60328888    -13.04476721
  H     15.60600362      9.59835971    -18.89208040
  O     18.47097452      5.62630811    -17.19734777
  H     17.28215406      5.60112350    -12.87435152
  H     15.71396077      9.45235589    -17.35918491
  O     17.52375985      9.49284111     -9.83041844
  H     16.07757308      4.90117386    -12.23437748
  H     13.61543364     11.49858447    -11.51541929
  O     15.98606616      9.05771037    -18.20360270
  H     12.72367035      8.09519561    -14.16744658
  H     14.83016798     11.91219458    -10.65945014
  O     14.37730807     12.09319949    -11.49296643
  H     14.18542277      8.23129972    -13.69213491
  H     18.77298000      7.49705902    -17.57285356
  O     18.73709533      8.46209050    -17.56247367
  H     15.00335869      5.85201845    -16.28141996
  H     17.87629711      8.69710350    -17.93231489
          69
 Energy    -249.26923502342919     
  O     16.59729873     10.29022466    -15.07839758
  H     17.32096796      9.65050882    -15.10014988
  H     14.11968475     12.08670684    -12.29344604
  O     15.20354581      6.64286255     -9.49002970
  H     15.82702025      9.89135482    -15.50814098
  H     13.30164580     10.74001280    -10.46182077
  O     16.76702704     12.99983365    -15.09162160
  H     15.32178177      6.04356814     -8.75886157
  H     12.57819844     10.85285716     -9.09941243
  O     12.81630448      7.69353008    -10.65402953
  H     15.42700945      7.53515195     -9.16490887
  H     16.04600196      8.01198306    -12.16014270
  O     14.38398315      9.02999072    -16.09383760
  H     16.58724645     13.33752067    -15.96497482
  H     15.86957050      6.80891049    -11.18532562
  O     18.67718025      8.45631792    -14.89397804
  H     16.69748215     12.03021810    -15.14448155
  H     16.19251441      6.59101555    -15.69504381
  O     20.42556898     10.43557313    -13.93285960
  H     13.54604131      7.21687774    -10.24140224
  H     17.56497729      7.26405832    -15.94412200
  O     18.81464371      6.72026886    -12.68471238
  H     12.83861805      8.58038066    -10.27441119
  H     17.92973041     13.60215441    -10.16956067
  O     12.19924936      7.26786339    -13.25954118
  H     14.63219782      8.74656200    -16.98520620
  H     17.67633131     12.16047755    -10.66772244
  O     15.36178493     13.31121073    -12.62422310
  H     14.48685916      8.25487596    -15.52218176
  H     16.05661074      7.45532346    -17.75822411
  O     12.53948062      9.97140089    -14.18971243
  H     19.33866434      9.13303288    -14.69529580
  H     15.37289509      7.39378005    -19.13471036
  O     13.59724072     11.30503260    -12.05935997
  H     18.73342652      7.82210890    -14.16664775
  H     16.15475017      9.97499661    -13.34162606
  O     13.19522346     10.31719611     -9.59088863
  H     19.93562581     11.25892470    -13.75763200
  H     15.04315108     10.21755994    -12.28649848
  O     16.19576698      7.05827737    -12.05838179
  H     21.30396607     10.69320938    -14.20022864
  H     18.32503374     12.90450656    -14.04999309
  O     16.89385557      6.70208836    -16.34978469
  H     19.04849196      5.79623790    -12.71587499
  H     18.66115950     12.88129017    -12.54859688
  O     17.68121004     13.09463078    -10.93778742
  H     17.87901049      6.76838046    -12.42347719
  H     16.99763189     10.20543032    -11.15975057
  O     15.48516949      7.95114650    -18.36945259
  H     12.40330428      7.40497080    -12.31724869
  H     18.44682705      9.96893583    -10.66673584
  O     15.86645486      9.74086439    -12.45035341
  H     11.36816519      6.80127962    -13.29430662
  H     15.26681387      6.79107546    -13.61630378
  O     19.02490696     12.68853274    -13.42097187
  H     15.76199860     13.30534039    -13.50216176
  H     13.81492885      6.83247593    -14.10774226
  O     17.61584202     10.41203495    -10.44198651
  H     16.09946595     13.31813757    -12.00205375
  H     19.56594528      8.23034588    -11.76068283
  O     14.72879495      6.78792158    -14.41952843
  H     13.09896271      9.81193993    -14.96096434
  H     20.11156270      9.58288748    -12.24000099
  O     19.81467898      9.11015696    -11.45256223
  H     12.30435307      9.09256477    -13.86763535
  H     16.41186383      9.65224455     -9.22542216
  O     15.68823456      9.19357171     -8.77908257
  H     13.15557217     10.95292678    -12.84693193
  H     14.87709568      9.67481335     -8.98769852
          69
 Energy    -249.26769709168994     
  O     14.86606388      9.59057572    -16.08605604
  H     15.04485667      9.36202317    -17.00525787
  H     20.49128443      6.82727428    -13.34452891
  O     18.15757982      4.78859534    -14.02228672
  H     14.14106359      9.04094980    -15.75433746
  H     18.25633440     11.39395863    -16.50178750
  O     14.58293449     10.74960535     -9.61809917
  H     18.92403332      5.13334976    -13.54676693
  H     18.66080258     12.84785674    -16.16164632
  O     19.00641313     10.14074389    -13.92806748
  H     17.38835456      5.19527475    -13.60116284
  H     17.71448575      8.99154666    -14.56853459
  O     16.03949741      6.21358758    -18.26362952
  H     14.73500083     10.81786330    -10.57203692
  H     16.31523154      8.85618905    -15.26046262
  O     16.62948710      7.82800647     -8.89027076
  H     14.20944276      9.87106037     -9.47956966
  H     13.23172202      8.03087221    -13.90174118
  O     16.20878935      6.58207935    -12.95171131
  H     18.72005053     10.28209261    -13.01531090
  H     11.98881292      8.05176160    -14.80175043
  O     15.38731013     10.48884312    -12.28461014
  H     18.80013263     10.92472320    -14.45165476
  H     17.45525874      6.99178513    -11.73667699
  O     20.73811631      8.06914707    -14.53375985
  H     16.74395258      6.12302492    -17.60134800
  H     18.98733320      6.89173404    -11.55580022
  O     20.00916283      7.80292460    -17.31310523
  H     15.39767737      5.53849090    -18.05595033
  H     16.21878213     10.77981055     -8.98726821
  O     17.98742643      6.25363991    -16.32689880
  H     16.89761232      8.73620161     -8.70400617
  H     17.34505978     11.27704378     -8.04874215
  O     20.29968769      6.15337197    -12.66785838
  H     17.22850194      7.51216603     -9.57960125
  H     18.12244550      9.07911200    -11.29098329
  O     18.24496591     12.06984899    -15.80012847
  H     15.36205861      6.93738076    -12.65747339
  H     17.85759028     10.36401437    -10.46420307
  O     17.04945186      8.36256460    -14.87333475
  H     16.51291763      7.18996332    -13.64387296
  H     13.47918081      7.44357054     -8.77949875
  O     12.94263580      8.06527399    -14.82766170
  H     16.29882731     10.31940052    -12.01440109
  H     14.90921621      7.82049156     -9.22880951
  O     18.19008528      7.27449975    -11.17143048
  H     15.42182613     11.04488305    -13.07581109
  H     18.92083554      9.36157556    -17.56821659
  O     17.15468028     10.65582177     -8.74582332
  H     20.23282259      8.85700230    -14.28553868
  H     17.48388832      9.70422003    -18.02275274
  O     18.01118271     10.03943857    -11.35950360
  H     20.63231580      7.98419014    -15.48706130
  H     13.83605488      7.97318544    -11.30240123
  O     13.96455069      7.93082207     -9.43967836
  H     19.33940516      7.15758850    -17.02846299
  H     14.45208836      8.95983064    -12.32323744
  O     18.29162716     10.08706216    -17.66139421
  H     20.51880748      7.38363201    -18.00221040
  H     16.48625755     12.04616791    -15.02365666
  O     13.97481556      8.11813786    -12.24597642
  H     17.65105838      7.04265232    -15.87186682
  H     15.25371525     11.14925085    -15.22185345
  O     15.62089140     11.84123012    -14.65243119
  H     18.11336118      5.58931490    -15.63539258
  H     15.52903515      9.09312952    -19.52260934
  O     15.84165699      8.90269940    -18.64171430
  H     21.13947852      5.79397429    -12.39450125
  H     15.89472709      7.93451749    -18.56578234
          69
 Energy    -249.26730497820481     
  O      0.25087647     -2.74167741      0.36610277
  H      0.83407630     -2.06581982      0.73581463
  H     -3.74070625     -3.46866398      1.26868949
  O     -2.12810778     -0.18579845      7.26824504
  H     -0.51219111     -2.28937948     -0.01648835
  H     -2.75976659     -6.98257076     -0.03960842
  O      2.57899769     -2.67064323      3.82993160
  H     -3.05546857     -0.35875408      7.06482978
  H     -2.12422530     -6.35439101      1.22239010
  O     -0.30099978      0.35533876      3.16933476
  H     -1.71301325     -1.05368756      7.35959674
  H      2.16624315     -4.39200814      4.36340249
  O      0.09078492     -5.34312140      6.80382547
  H      1.79054971     -2.38278982      4.31313242
  H      1.66528523     -5.77611805      3.89921746
  O     -4.75060780     -0.73472673      6.21738687
  H      2.54861824     -2.15461115      3.01981804
  H     -0.43792318     -3.47802061      1.90480842
  O     -1.08549459     -2.78014565      7.00608957
  H     -1.12837975      0.11204314      2.72720403
  H     -0.94421857     -4.68119542      2.77261093
  O     -2.30331658     -5.83299750      5.33787104
  H     -0.53930284      0.90781390      3.92538008
  H     -3.60050412     -3.02494033      3.97409671
  O     -3.81680067      0.91289513      4.24878183
  H      0.49999402     -5.91203807      7.45034699
  H     -2.50081549     -3.19765638      2.91235244
  O      1.75799751     -0.76518182      1.67131394
  H      0.71313148     -5.28067740      6.05675579
  H      1.08577893     -6.37575212      1.55942666
  O     -1.47239572     -6.48426939      2.84077126
  H     -4.49651807     -0.16332180      5.47138539
  H      1.85838798     -7.57513965      2.15378711
  O     -3.58678453     -3.64376407      0.33043841
  H     -5.60731415     -0.43593730      6.51084565
  H     -2.54607200     -0.63849524      1.09045981
  O     -2.33544939     -6.19232764      0.28568830
  H     -0.65906148     -2.42905754      6.20597135
  H     -3.01033742     -1.24952958      2.43145187
  O      1.77164702     -5.21747967      4.67689456
  H     -0.67798521     -3.64154173      7.14926212
  H     -0.11592727     -1.13546952      4.23812420
  O     -0.83380139     -3.72404878      2.75025311
  H     -1.52701857     -5.70771029      5.89923696
  H     -0.25374615     -2.66944733      4.05130634
  O     -3.41200748     -2.88853609      3.03839641
  H     -2.88241010     -5.07950100      5.50015013
  H     -0.45841907     -5.75604883      0.00749604
  O      1.27495680     -6.85692479      2.38442878
  H     -3.01574704      1.30227632      4.62030970
  H      0.52455316     -4.57025119      0.07865490
  O     -2.69782533     -0.42912899      2.01879164
  H     -3.55938722      0.55848475      3.38843053
  H     -1.07961611      2.45344536      5.90006685
  O      0.01570402     -1.98159593      4.68024038
  H      2.36417527     -0.09539002      1.36320272
  H     -1.51884094      0.99015584      6.13204909
  O      0.47265874     -5.53373005      0.13066937
  H      1.08796033     -0.30471400      2.20285025
  H     -2.72803943     -3.11456929      6.23890025
  O     -1.29627978      1.64409383      5.44483668
  H     -0.55849421     -6.79346354      2.86758217
  H     -4.11515315     -2.49306075      5.99491872
  O     -3.57852411     -3.27251299      5.80338376
  H     -1.79919959     -6.35229078      3.74437524
  H     -2.41936878     -1.25990270     -1.40852203
  O     -2.14750635     -1.54324048     -0.53983661
  H     -3.20340808     -4.52779605      0.27441346
  H     -2.70500567     -2.30878408     -0.30468738
          69
 Energy    -249.26590458388131     
  O     14.80490912     10.62038446    -10.96063324
  H     14.57692734     10.96241192    -11.83439707
  H     14.26998287      4.25293225    -15.35875822
  O     13.73983226      9.90460002    -16.92274848
  H     14.04359196     10.13571249    -10.60453027
  H     15.13387527      3.50649756     -9.94587258
  O     17.22245638     10.52989968    -14.04699913
  H     13.81130517     10.84500515    -16.71626799
  H     15.69383508      4.37249703    -11.09924609
  O     12.97506266      5.20489514    -12.11833795
  H     13.33389810      9.49717236    -16.14705603
  H     12.44026183      8.45331276    -10.76589574
  O     17.54792307      7.91949852     -8.77910036
  H     16.29620735     10.69942386    -13.82776954
  H     13.48789215      8.18838913     -9.66243020
  O     16.91296819     11.72529296    -16.57694549
  H     17.75461526     10.70133795    -13.26114486
  H     18.23378414      6.77683284    -14.32280957
  O     15.65722020      8.07413166    -11.82176113
  H     13.57862693      4.90653290    -11.42908107
  H     18.62990651      6.76646789    -12.83738729
  O     14.47386266     11.09494497    -13.66036972
  H     13.35249163      4.88573553    -12.94812501
  H     15.30906270     12.38042014    -16.29092381
  O     18.39819974      8.02381746    -11.42283070
  H     18.21321149      7.63530171     -8.15675598
  H     14.19780719     13.45757201    -16.35606437
  O     18.79843693     10.81245238    -11.73209793
  H     17.95303024      7.87042714     -9.66090760
  H     13.74919143      8.21533925    -14.46345698
  O     16.56821689      4.37402863    -12.57889215
  H     16.81209806     10.93216713    -17.11763234
  H     12.43264386      8.49127381    -13.70846443
  O     14.41625576      4.54614798    -14.46373226
  H     17.18660316     11.40825479    -15.70484400
  H     16.19322910      8.98366603    -18.72472401
  O     15.08904681      4.37589222    -10.33424904
  H     15.40970868      8.98943288    -11.63730373
  H     15.31682881      9.39068889    -17.51735155
  O     12.91629549      8.87137883    -10.03821175
  H     15.34159692      7.56728494    -11.06239298
  H     12.10524784      6.71348549    -12.20106280
  O     18.43572597      6.18825517    -13.58608029
  H     14.37287672     11.72510881    -14.38367389
  H     10.71424124      7.38589361    -12.18386641
  O     14.38187245     12.57063273    -16.06006227
  H     13.92773328     10.32738881    -13.88410527
  H     14.99907727      6.02445079     -9.57177679
  O     13.00970355      8.83938060    -14.39827896
  H     18.70469630      8.92544183    -11.57929101
  H     15.79163776      7.25122701     -9.02086561
  O     16.23149949      9.21133019    -17.79958125
  H     17.45627930      8.01389320    -11.65917266
  H     15.32215985      7.37850713    -13.42462369
  O     11.64697507      7.57033771    -12.26539349
  H     19.53599930     11.40187797    -11.60089173
  H     15.94516032      7.44070262    -14.84096324
  O     14.93521092      6.96764008     -9.36676133
  H     18.24256519     10.87010122    -10.93354933
  H     17.22750760      9.86535524     -9.13602186
  O     15.16300421      7.15188072    -14.35396636
  H     17.26091746      4.95131296    -12.92983667
  H     16.29723178     10.77533292     -9.97349836
  O     17.18019066     10.72066207     -9.57542051
  H     15.91924224      4.27331077    -13.28464257
  H     17.46050878      8.96214753    -14.94707459
  O     17.45845441      8.15715810    -15.48695596
  H     14.67953824      5.48287660    -14.51137441
  H     17.15475277      8.42438459    -16.36376798
          69
 Ord_Energy   -249.265472    
 O   -3.23756003      -1.93093920       2.61298442    
 H   -3.86000443      -1.53694642       1.98012316    
 H   -3.69668150      -1.91812730       3.46001697    
 O   -2.67936635       2.11360002       2.94634032    
 H   -3.44268847       1.73148108       3.40562129    
 H   -2.74894667       3.07192492       3.03890872    
 O   -7.65605783     -0.572869360       1.73135602    
 H   -7.63564062      0.351705462       2.00813746    
 H   -8.08792591     -0.618180931      0.864500761    
 O   -6.77384377      -2.80094552       3.08761930    
 H   -7.23167419      -2.06399822       2.65639663    
 H   -6.52115822      -3.40680146       2.38132691    
 O   -1.15324497     -0.134900630       2.18051529    
 H   -1.77997208     -0.836046755       2.41048217    
 H   -1.51254058      0.674333632       2.56728458    
 O   -6.59438229      0.926748455      -2.25859737    
 H   -5.97843981      0.178290755      -2.19276881    
 H   -6.74266815       1.07454288      -3.19003654    
 O   -2.28541803      -2.21716595      -1.61980236    
 H   -1.86824799      -1.42870033      -1.23780251    
 H   -1.63538837      -2.62426829      -2.18806291    
 O   -5.05240536      -1.58579123       4.75437546    
 H   -5.69969749      -2.05751801       4.19747877    
 H   -5.12769842      -1.95020115       5.63195848    
 O   -5.90825415       2.71715403     -0.155376866    
 H   -4.99046564       2.42236066      -4.79433686E-02
 H   -6.25741100       2.21508098     -0.901013196    
 O   -7.38683367       4.53640509       3.52790809    
 H   -6.67272043       4.34698629       4.16306305    
 H   -8.06778336       5.00307417       4.00390959    
 O   -3.47173381       1.60378170      0.353469908    
 H   -2.74815536       1.14344978      -8.43564793E-02
 H   -3.16321802       1.83023047       1.24335003    
 O   -5.00533152       1.17572725       4.10638523    
 H   -5.71946526       1.36887014       3.48304439    
 H   -5.06676292      0.246435896       4.35737133    
 O   -3.32930875      -3.84211922      0.572921395    
 H   -2.96990705      -3.35239458     -0.174190268    
 H   -3.15813923      -3.30017877       1.35613990    
 O   -5.97399616      -4.46119356      0.892237782    
 H   -6.06338358      -5.41092825      0.923745453    
 H   -5.02949762      -4.27766800      0.750609338    
 O   -5.22673416       3.85056782       5.02990913    
 H   -4.49476051       4.24556923       4.53978062    
 H   -5.13315392       2.89511752       4.91573811    
 O   -7.11434889      -3.04802775      -1.33474100    
 H   -6.34169197      -2.56484628      -1.65277076    
 H   -6.80616474      -3.55703902     -0.575003862    
 O   -8.54556561     -0.721766770     -0.833589852    
 H   -8.18663788      -1.59769177      -1.04634082    
 H   -8.04027939      -9.50485319E-02  -1.36125755    
 O   -7.01611137       2.02824879       2.32231259    
 H   -7.30306959       2.84897733       2.73964047    
 H   -6.67845821       2.26232648       1.44603431    
 O   -1.18552053       7.83453584E-02 -0.492952794    
 H   -1.09629822      -3.81211117E-02  0.471755207    
 H  -0.414626271      0.558809638     -0.783984661    
 O   -3.29847860       4.83736134       3.13399982    
 H   -2.81476021       5.65891123       3.13523531    
 H   -4.01729965       4.93522358       2.48415804    
 O   -4.93730927      -1.25664747      -1.80477071    
 H   -5.00428486      -1.14807296     -0.841819942    
 H   -4.05559254      -1.61176622      -1.95810294    
 O   -5.44781113       5.02219915       1.46916163    
 H   -6.19430733       4.98885584       2.08109689    
 H   -5.63351536       4.36603260      0.786073565    
 O   -4.99162388     -0.703665555      0.877244949    
 H   -5.90638351     -0.627314270       1.17972863    
 H   -4.60537672      0.175232187      0.772721231    
          69
 Energy    -249.26501698783176     
  O     15.85789050      9.71654056    -11.60992724
  H     15.60466487     10.64149331    -11.50661477
  H     12.71272935      8.19096597     -9.82408764
  O     16.17065802      4.35599436     -7.20471257
  H     16.81220784      9.66767684    -11.75869982
  H     12.79693373      7.56242614     -7.46967612
  O     15.17067416     12.34621478    -11.03672453
  H     16.43059740      4.79445297     -8.03434338
  H     12.10191047      7.14907468     -6.15277026
  O     13.48987710      4.60115724     -8.13036226
  H     16.79656260      3.65228879     -7.05643492
  H     17.45180295      5.12928562    -12.69530568
  O     15.09837814      7.57965915    -13.14725967
  H     15.96656292     12.47043594    -10.48651907
  H     18.16187494      6.17830493    -13.56506194
  O     18.55211218      9.19354079    -12.01174007
  H     14.99575301     13.17709535    -11.46886603
  H     16.34150590      5.36230577    -10.37006370
  O     19.66583664     10.96334854    -10.12144695
  H     14.35903886      4.38092448     -7.77385505
  H     16.22527279      6.55929188     -9.39991159
  O     18.94669147      6.81553809    -10.60511271
  H     13.18666468      5.36412035     -7.62315088
  H     16.11355398     11.67494750     -6.22400698
  O     13.13326920      4.49740031    -10.81480932
  H     15.82798509      7.60017069    -13.77678451
  H     16.49430679     10.40580330     -7.01716681
  O     13.80091782     11.09948536     -8.82657512
  H     15.24574660      8.35986062    -12.59059548
  H     18.08312993      8.25866257    -15.15268331
  O     12.77436187      7.28528220    -11.39113817
  H     19.00123223      9.88790251    -11.51467366
  H     18.05803691      8.43259931    -13.61981102
  O     12.84887163      8.52061567     -8.92312000
  H     18.67666834      8.37393642    -11.50835709
  H     15.70636273      8.75431345    -10.11555151
  O     12.86595470      6.97526342     -6.69671515
  H     20.54186252     11.33436213    -10.05578678
  H     14.64025027      8.22459829     -9.12980931
  O     18.32516528      5.46255646    -12.93914952
  H     19.63410302     10.20680290     -9.50639619
  H     18.14106248     11.96558277     -9.64426215
  O     16.65094121      5.69611018     -9.51722652
  H     18.95965929      6.29760421    -11.42326063
  H     17.01292606     12.07916668     -8.58288591
  O     16.14185187     11.30704359     -7.10393740
  H     18.21642446      6.43587099    -10.09739166
  H     14.66896095      6.89900759     -6.01631172
  O     17.70403620      7.90290743    -14.35240664
  H     12.47473315      3.83088575    -10.99265832
  H     15.84504786      5.91883862     -6.14459645
  O     15.58079787      8.18919209     -9.34261731
  H     13.25508370      4.51731578     -9.84896271
  H     14.78062503      4.72631325    -11.67968223
  O     17.32175845     12.42715697     -9.42965926
  H     14.51972955     11.16820082     -8.18660392
  H     15.42748750      5.93171593    -12.39565639
  O     15.60287405      6.78720661     -5.79954879
  H     14.11057429     11.56796711     -9.61014212
  H     18.71144919      8.70178786     -7.97163723
  O     15.62257951      5.06440048    -12.01094240
  H     13.40156476      7.42682349    -12.10818754
  H     19.41432291      8.00772689     -9.17255965
  O     19.45924609      8.76862104     -8.57990429
  H     12.80744790      6.33785027    -11.20574753
  H     16.65354851      8.08106782     -6.49947569
  O     17.04078848      8.72210722     -7.11219551
  H     13.05117350      9.46830681     -8.94350256
  H     16.56667257      8.58562668     -7.94791663
          69
 Energy    -249.26390505938252     
  O     15.56837115      7.92530172    -10.13573216
  H     15.35602809      6.99447311    -10.27613126
  H     13.23713407      8.05797002    -15.90770809
  O     15.56797742      5.16371364    -15.43306989
  H     14.86598926      8.40321633    -10.60232433
  H     17.30567736      6.84148945    -18.07029859
  O     16.92959289     10.49486531    -10.17572138
  H     15.98077028      5.69907345    -16.12176223
  H     17.52820952      7.11940625    -16.56404159
  O     18.10520574      9.81059792    -13.92282327
  H     16.08130383      5.31066590    -14.63006228
  H     17.19195391     11.44347824    -14.24042393
  O     10.53689368     10.82227080    -13.36702695
  H     16.40587959      9.70161542    -10.01533036
  H     16.33827457     12.34804110    -13.33331804
  O     16.87410423      5.88662347    -12.97812119
  H     16.35803154     11.14045347    -10.60981233
  H     16.06105955      7.53457794    -13.32525305
  O     11.49522205      8.14287044    -13.06745473
  H     17.25536067      9.39219423    -13.71456603
  H     15.05350499      8.65162961    -12.91035880
  O     15.45281061     12.50763025    -11.56538164
  H     18.59134402      9.89106081    -13.09163931
  H     14.03840908      5.40147954    -11.58854255
  O     14.22430157     11.29676137    -15.45601160
  H     10.79306619     10.74548930    -14.30524337
  H     14.77229620      4.50869000    -10.56090696
  O     12.87276687      4.99406726    -15.33352284
  H      9.67548719     11.22989899    -13.34750330
  H     12.09589265      6.41247015    -12.59284261
  O     14.90519923      8.68247746    -16.13580769
  H     16.18048506      5.53061483    -12.40542819
  H     12.67918692      5.30423313    -13.48444587
  O     12.34283974      7.74728712    -15.70127818
  H     17.49542553      6.32036951    -12.36865191
  H     20.01880215     10.35534241    -10.94820372
  O     16.84721471      6.96943137    -17.24450819
  H     11.78215933      8.02080307    -13.98556715
  H     18.47720313     10.20173813    -10.89520055
  O     16.54538962     12.16139839    -14.25553438
  H     11.01584558      8.97899905    -13.04461656
  H     18.52911520      8.20616626    -14.78937773
  O     15.73011733      8.41132276    -13.55414119
  H     14.59911198     12.30021441    -11.97903096
  H     18.23727247      6.73586253    -14.42780843
  O     14.87202431      5.29123986    -11.09721847
  H     15.36967856     13.38571026    -11.19921974
  H     17.36873998      7.57863375    -10.70010332
  O     12.62901936      5.60847546    -12.56942330
  H     15.04909032     11.71347258    -15.16318430
  H     18.71833858      8.11630965    -11.21151966
  O     19.28067955      9.93196653    -11.37712714
  H     14.47910614     10.43258406    -15.80754175
  H     11.67073437      9.53172851    -15.98020364
  O     18.52777328      7.30580320    -15.14487110
  H     13.84493052      5.02425111    -15.39185415
  H     12.39210773     10.89330366    -15.88160368
  O     18.19419838      7.31196729    -11.12753134
  H     12.59314751      4.20429023    -15.78862181
  H     12.25018688     11.50279496    -12.92968980
  O     11.51944382     10.47843006    -15.86115710
  H     15.20388642      8.57110605    -15.21850584
  H     13.54450121     11.52607912    -13.78749926
  O     13.20283786     11.64755898    -12.88803152
  H     15.52466072      8.18660560    -16.68194743
  H     13.61734074     10.06689465    -12.05163474
  O     13.72758625      9.14858801    -11.77580828
  H     12.39649146      6.78410312    -15.68614273
  H     12.96137988      8.68000045    -12.13324263
          69
 Energy    -249.26368598646008     
  O     10.99244675      9.82839704    -15.99407919
  H     10.99162154     10.63892087    -15.46291712
  H     19.25329452      8.27908222    -15.45035297
  O     15.22979156      8.25002264    -11.23907550
  H     11.11429876      9.10472983    -15.37090679
  H     16.54768113     11.29495930    -10.96734229
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  H     15.66431141      7.84809700    -12.00122341
  H     17.38918774     10.68108715     -9.82325278
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  H     15.80584203      8.96988964    -10.94931887
  H     15.87014563     10.65706855    -17.32052205
  O     13.93138425     10.73433488    -14.22578640
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  H     17.29722124     11.24299169    -17.40357842
  O     13.44956936     13.78666909    -12.13017461
  H     16.49299853     11.81579226    -15.37609720
  H     11.27039779     12.01136101    -13.47526844
  O     12.90862965      9.41828813    -12.05938845
  H     11.92420091     10.27831446    -17.39089563
  H     11.74999022     12.94576432    -14.62659788
  O     12.94175411     14.30784363    -14.95541737
  H     11.90667147     10.66275098    -18.88826524
  H     11.11431087      7.12220512    -13.58734925
  O     17.39804048      8.01948368    -18.00419031
  H     14.74858823     11.24830670    -14.25088826
  H     11.99069963      8.33957832    -13.21917364
  O     18.21547887      6.67809535    -15.78478252
  H     13.18972151     11.29858498    -14.46655618
  H     14.82870683     12.53297925    -17.11405588
  O     16.41798016      7.50762066    -13.77320707
  H     12.76789695     13.14246959    -11.90761973
  H     13.37009279     12.15239645    -17.41705933
  O     19.54923993      9.19157761    -15.34500345
  H     13.32661489     14.00392931    -13.06189861
  H     17.34617470      9.01515424    -13.39782483
  O     16.93270841     10.46430840    -10.63142985
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  H     17.70361444     10.03011364    -12.28185387
  O     16.38848180     11.45854797    -17.15981065
  H     13.32042556      9.93277838    -12.77222026
  H     15.11137880     13.13325704    -11.77855811
  O     11.38269713     12.07331240    -14.43267439
  H     13.35050552     13.83569039    -15.70299877
  H     16.21994373     12.60986725    -12.70453730
  O     11.61738738      7.83992428    -13.96384154
  H     12.84973558     15.21736753    -15.22706775
  H     14.61386821      8.70633798    -16.86453220
  O     13.91783815     12.83660162    -17.01396854
  H     17.94870500      8.81024145    -18.05702593
  H     14.04489129      9.60455110    -17.98344144
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  H     16.48381746      8.33134885    -18.03364077
  H     11.93907139     10.87426707    -11.63840134
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  H     18.58826142      5.83593559    -16.03169528
  H     10.88698102     11.71369774    -10.87696315
  O     14.84876331      9.16025704    -17.68685487
  H     17.88563528      7.08925016    -16.60404376
  H     19.73664782     10.73500603    -18.11449906
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  H     19.11567156      9.50969836    -14.54163260
  H     14.11460295      9.13154841    -14.92570207
          69
 Energy    -249.26329447834360     
  O     -1.82526333      3.13228819      4.00122027
  H     -1.97104481      3.65214002      3.19810464
  H     -3.79958975      2.64009499      0.39232396
  O      0.45747265      4.12977695      1.34757345
  H     -0.87651304      2.95842954      4.04454724
  H     -6.77581406      3.28039803      2.92744135
  O     -1.64047397     -0.61089625      1.42880230
  H      0.57545614      3.46748394      0.65572930
  H     -5.94554337      4.31690175      2.12910133
  O     -4.05690287     -0.03218387     -2.32788494
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  H      1.23044568      1.94353852     -1.34009522
  O     -4.69180080      1.55316300      1.46057776
  H     -2.07436572     -0.12751396      2.14729067
  H     -0.15207890      1.58612475     -0.75402213
  O     -6.73845372      2.57360415      4.67388283
  H     -1.74605091     -0.08228723      0.62658310
  H     -4.50356186      4.61410363      4.21275672
  O     -7.97006860     -0.21431074      0.96019140
  H     -4.21917704     -0.67112383     -3.01718007
  H     -3.48723399      3.61931640      4.78741120
  O     -3.05837162      0.72903249      3.43979016
  H     -4.58543350     -0.31133445     -1.55952624
  H     -2.59748507      4.24043116      0.90819698
  O     -5.26788215      2.64294048     -2.14810875
  H     -5.42589112      2.15772209      1.62886746
  H     -1.24556253      4.66730600      1.53563554
  O     -5.43376847     -0.69552910     -0.07857448
  H     -5.00671597      0.83020467      0.90340911
  H     -3.73522732      5.37361723      2.24833523
  O     -3.95225489     -2.26012139      1.58169811
  H     -5.86740386      2.98253200      4.82301016
  H     -4.71286357      6.54856738      2.46398177
  O     -3.38185634      3.20995494     -0.27203839
  H     -7.29375146      2.84587859      5.40035016
  H     -4.36469141     -1.74500984      5.05998799
  O     -6.55059548      3.57020473      2.03393268
  H     -8.80879248     -0.66727746      0.97719681
  H     -4.01915733     -0.61110520      4.06565832
  O      0.72456443      1.93979979     -0.53104890
  H     -7.67418253     -0.13844933      1.88519918
  H      0.92567176      1.76577961      3.14758355
  O     -4.39722459      3.92630621      4.88245370
  H     -2.57862741      1.51028061      3.73944359
  H      1.67210175      2.50237403      4.28556128
  O     -2.20393882      4.69825433      1.66716860
  H     -3.68756368      1.03552523      2.76568826
  H      1.00800876      0.94938575      1.07862168
  O     -4.61743012      5.60692857      2.58423786
  H     -6.06737578      2.52334951     -1.61339678
  H      0.11423762     -0.03345938      1.84523792
  O     -4.62467304     -1.35536061      4.22906994
  H     -4.94751080      1.76043573     -2.36346438
  H     -6.93577117      0.84793980      3.93962996
  O      0.90296755      2.55048317      3.72451555
  H     -6.35984676     -0.66360384      0.19072518
  H     -6.26954509     -0.53282489      3.76918852
  O      0.90385364      0.51548322      1.93488866
  H     -4.96848174     -1.33623735      0.48232055
  H     -2.28253741      1.85207374     -0.69528769
  O     -7.02846679     -0.00360090      3.49530852
  H     -4.21223826     -2.12059494      2.50010194
  H     -2.46712267      0.56115192     -1.50559071
  O     -1.84958027      1.01453420     -0.91882839
  H     -3.07038844     -1.87386485      1.49198295
  H     -7.70983910      1.47591871      0.01391815
  O     -7.41852103      2.31501383     -0.36009961
  H     -3.99412684      3.21277131     -1.02223491
  H     -7.26483037      2.89196269      0.39925089
          69
 Energy    -249.26327266576766     
  O      9.68096124     12.27586202    -11.85964457
  H     10.31787457     12.47063586    -11.14924626
  H     12.15693262     13.51365946    -10.10840026
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  H      8.82286895     12.54095852    -11.53942775
  H     12.26535274     10.59148127    -18.70599346
  O     17.46554798     12.44347333    -14.25895673
  H     15.26778304     10.83105277    -12.28495902
  H     13.23057529     10.73953204    -17.50841357
  O     15.01452407      7.47554943    -11.25240217
  H     14.00321999     11.59834338    -12.73074885
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  H     18.12441605     13.10351650    -14.46397853
  H     14.61527257     13.21536351    -14.47353676
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  H     14.91644160      7.03565732    -12.10658589
  H     16.63221523     10.07070863    -16.18656917
  O     13.23282886     10.77165754     -8.87831649
  H     14.17889749      7.92961502    -11.08678234
  H     14.31489629     13.91885737    -10.22633287
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  H     11.23309649     11.82125058    -14.54747864
  H     13.93047618     15.42137436    -10.22922709
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  H     17.58506321      8.02399688    -13.17307611
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  H     14.70149277     11.89953556     -9.40434121
  O     12.31600170     10.89123858    -17.80199530
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  H     15.91809094     12.17093535    -10.33434159
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  H     13.03298792     10.12931650     -9.58049500
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  O     13.66494939     14.56707848    -10.55693652
  H     13.16186844     10.30373464     -8.05014657
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  H     12.67189451     13.19575352    -13.39119446
  H     15.89229273      6.87400107    -14.04170409
  O     15.29540022     12.58937537     -9.72627525
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  H     10.11687351     10.44904665    -12.25243789
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  H     10.62351983      9.64049874    -13.45667945
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  H     12.02297632     12.10573760     -9.50882760
  H     13.34339071      9.72897637    -11.57009092
          69
 Energy    -249.26311690463427     
  O     -2.76037888      4.05977014      3.65663996
  H     -2.64312133      3.74468690      4.56039778
  H     -1.51894416     -3.90973455      3.05932587
  O     -2.64940240      2.19357914      1.65157520
  H     -1.92384496      4.47844800      3.41586318
  H     -1.17808113     -0.57717835      2.39123398
  O     -1.98150208      3.11513297      6.27673344
  H     -2.84832901      2.86731138      2.31873810
  H      0.11409497     -1.45218280      2.24027696
  O      1.94500195     -2.50837333      0.22890410
  H     -1.76577140      2.39363435      1.31762147
  H     -3.79116997     -1.17107564      2.32359811
  O      0.64185684      1.49605139     -1.37231928
  H     -2.17338258      3.54827772      7.10402467
  H     -5.14823961     -1.86958943      2.07183147
  O     -1.17971661     -0.56412949     -0.76419262
  H     -1.07854092      3.38076653      6.02089654
  H     -1.64933366      1.33572681      5.84567985
  O     -2.73563081     -0.07511173      3.19824292
  H      1.83811283     -2.68941800      1.17204904
  H     -0.39694408      0.71496031      5.18271744
  O     -3.70638008      0.35032955     -0.23999162
  H      1.13911809     -2.83056892     -0.19182382
  H      1.66345813     -2.35024611      3.72725623
  O      2.89539677      0.00759386     -0.26206426
  H      1.46234095      1.05609272     -1.12039090
  H      0.52910592     -3.31066032      3.28854617
  O     -0.50141184     -2.13415266      5.99937396
  H     -0.03172663      0.80264185     -1.34238304
  H     -0.78666636     -3.62330669     -1.71205330
  O     -2.20185020     -3.64963816      1.50500858
  H     -0.84774736     -0.57313930      0.14645546
  H     -0.85843098     -2.27235667     -0.96171288
  O     -1.06399948     -4.03216891      3.91201859
  H     -2.09145265     -0.24084016     -0.72475672
  H      0.93961907      2.83706659      5.18260618
  O     -0.36026300     -0.68694517      1.89126684
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  H      0.40101633      4.10673614      4.46918754
  O     -4.28418994     -1.72574344      1.69332073
  H     -2.32772827      0.11779767      4.05225780
  H      0.94696925      0.45748160      2.00538727
  O     -1.30285369      0.51998525      5.46294994
  H     -4.04223817     -0.35597878      0.32486256
  H      2.28933221      0.79806483      1.32907089
  O      1.23388664     -2.73892849      2.95539710
  H     -3.48934210      1.08767931      0.34720800
  H      1.19042168     -1.83632967      5.73430529
  O     -0.62844773     -3.21359523     -0.86518090
  H      3.76412192     -0.06541295     -0.64842788
  H      2.69718900     -1.95617995      6.07813323
  O      0.49103986      3.68023034      5.33058379
  H      2.57413345     -0.90188526     -0.13005459
  H      1.59133992      1.11675733      3.83003576
  O      1.71146892      1.05586785      2.05719209
  H     -0.94071545     -1.27905993      5.89843281
  H      1.75259552      0.21353197      5.07409314
  O      2.08914637     -1.61181095      5.42946185
  H     -0.85613062     -2.72543326      5.32423052
  H     -0.08132397      4.26395991      2.06260926
  O      1.38204070      1.05186261      4.77369626
  H     -1.69181560     -3.54890785      0.69299932
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  O     -0.13661858      4.88826233      2.80489227
  H     -2.94697403     -3.03821340      1.45246740
  H      0.62380638      2.37080660      1.41564768
  O      0.00277519      2.90744863      0.90333649
  H     -1.21445691     -4.93789831      4.17086722
  H      0.13466270      2.61190225     -0.00839955
          69
 Energy    -249.26291153480435     
  O     16.30864476     12.65006806    -16.57084172
  H     16.00395802     13.51998118    -16.81576697
  H     15.40255430      4.98912133    -15.52873543
  O     15.36805879      6.29255959    -14.23984543
  H     15.56909066     12.21800488    -16.10899790
  H     19.13477924      5.55211495    -13.04328285
  O     17.87831042      8.41336717    -11.59467088
  H     15.73098771      6.07142671    -13.37285229
  H     17.79332622      5.00746666    -12.52230581
  O     18.79929449      5.77968118    -17.24758131
  H     15.97229186      6.93794117    -14.63723282
  H     20.47331578     10.47458692    -17.74097450
  O     16.12689958      5.90018155    -18.43350173
  H     18.69366813      8.00304854    -11.90656053
  H     18.95045604     10.28297503    -17.55411083
  O     15.61545704      9.31341753    -10.18402429
  H     17.69297482      9.11291720    -12.24124050
  H     17.88087446      8.01275368    -15.51514549
  O     13.38440418      8.12498993    -13.69248019
  H     18.67650563      4.99684221    -16.69385071
  H     16.52257575      8.39345276    -16.20280684
  O     17.29936553     10.22780901    -13.55432469
  H     17.97634494      5.88685765    -17.73674677
  H     14.28005490     11.19964077    -14.36850076
  O     18.25695884      3.60097744    -15.50245006
  H     15.95093412      5.40373564    -19.22841133
  H     13.81574736     10.63992637    -15.72694146
  O     13.97901761      7.07680669    -10.96435129
  H     15.87793119      5.32959533    -17.68347144
  H     13.10969283      8.59752174    -15.39599980
  O     19.68988097      7.79712888    -15.66960040
  H     15.80920129      9.64919445     -9.31184854
  H     12.18862627      8.87152171    -16.60375606
  O     15.63299927      4.39342088    -16.25571290
  H     16.45845117      9.00627305    -10.55390093
  H     20.98524533      7.26547410    -12.80855692
  O     18.54615956      4.78940394    -13.08695583
  H     14.04489296      7.43762305    -13.87316344
  H     19.95912533      7.46133167    -13.94525597
  O     19.81486446     10.18632873    -17.11400199
  H     13.85174749      8.89660929    -13.34117757
  H     15.54190039      6.17268370    -11.32684406
  O     16.95192551      8.22148541    -15.35494018
  H     17.13081746      9.54508370    -14.22189274
  H     16.92223910      6.80020252    -11.62689199
  O     14.24744642     11.39573038    -15.31304469
  H     17.83732127     10.90868149    -13.97856652
  H     16.69503736      9.86784114    -18.15763215
  O     13.09295296      8.93795402    -16.30627764
  H     18.64429693      2.73129645    -15.45089822
  H     16.97012826     11.32148746    -17.72068276
  O     20.05250264      7.22496469    -13.00652297
  H     18.35575381      4.00173141    -14.62045995
  H     15.63128787     10.42992263    -13.03405471
  O     16.42113354      5.97471523    -11.68016393
  H     14.40497059      7.86340693    -10.59956466
  H     14.82643345     10.19912953    -11.75259209
  O     17.36170419     10.56669011    -18.17897565
  H     13.53709898      7.36521057    -11.77015686
  H     17.91702063     12.31367662    -15.61522076
  O     14.72388151     10.39514177    -12.68966239
  H     19.49841065      7.07582047    -16.29115836
  H     19.17816009     11.43653925    -15.74917666
  O     18.68267416     11.98187092    -15.12678431
  H     19.83063111      8.60953552    -16.17335677
  H     14.64189911      8.59512984    -17.32183151
  O     15.52228877      8.51661998    -17.71001535
  H     16.47051494      3.98760070    -15.99822017
  H     15.64339073      7.61110474    -18.02838096
          69
 Ord_Energy   -249.262512    
 O    2.87201500     -0.369028598       4.15492249    
 H    2.97781181      -1.19948161       3.67356801    
 H    2.51975560      0.259874791       3.51405311    
 O   0.288950443      -2.32753563       8.51602364    
 H   0.747489989      -1.94975269       7.74622774    
 H   0.826673508      -2.13103867       9.27892876    
 O   -5.22665453      -3.41036558       5.37382984    
 H   -5.88159370      -4.00255346       5.73653030    
 H   -4.35917377      -3.76471782       5.63156271    
 O   -4.43141413      -1.10061402E-02   2.73651743    
 H   -4.05382776      0.463774562       1.98080957    
 H   -4.64721203      0.623416364       3.43092918    
 O    1.30186903      -1.35475218      0.989235640    
 H   0.375775486      -1.43259692      0.730351388    
 H    1.44281578     -0.435030967       1.24691629    
 O   -3.02814317      -3.84986281       1.06740272    
 H   -3.38431764      -4.52900600      0.501782775    
 H   -3.77707100      -3.47729850       1.56953454    
 O  -0.210507974      -4.77938938       7.04903173    
 H    1.54197803E-02  -4.08458042       7.67836809    
 H   0.317243308      -4.59844828       6.25912762    
 O   -1.88130176     -0.854468763       3.40482807    
 H   -1.61515594     -0.569598198       4.29094648    
 H   -2.80770659     -0.608100355       3.26508093    
 O   -1.56810915      -3.60314608       3.45987105    
 H   -1.97978806      -3.88244462       2.63391352    
 H   -1.66261256      -2.63985586       3.49060321    
 O    1.31249082      -1.43764699       6.11926985    
 H    1.14316714      -2.26673436       5.64864969    
 H    1.93370557     -0.943407834       5.56523609    
 O   -1.08030987      -6.24744706E-02   5.88900280    
 H   -1.61048555     -0.585471809       6.50451803    
 H  -0.181476563     -0.413908690       5.94374704    
 O   -4.82326651       1.53362250       5.04062080    
 H   -4.79873896      0.726944447       5.58662319    
 H   -5.56186342       2.05202055       5.34945869    
 O   -4.95054007      -2.73714519       2.59821439    
 H   -5.10702038      -2.99849200       3.51266003    
 H   -4.90912199      -1.77040374       2.59607959    
 O    2.75232553      -2.86321926       2.69526982    
 H    3.46775842      -3.27601218       2.21887565    
 H    2.21332574      -2.38849807       2.03644848    
 O    1.71543944       1.25950837       2.07336235    
 H    2.13832641       2.01075864       1.66435647    
 H   0.808260679       1.53378737       2.28680301    
 O   0.947292566      -3.77462196       4.63965988    
 H   0.104966871      -3.79163027       4.16404963    
 H    1.62752306      -3.57511592       3.98317671    
 O  -0.911784351       1.74287462       2.66065049    
 H   -1.27410853       2.21397543       3.42589355    
 H   -1.16711366      0.823162258       2.80687666    
 O   -1.50765479      -1.47407830      0.670283377    
 H   -2.00182486      -2.29932451      0.590758204    
 H   -1.55159461      -1.24822998       1.61035478    
 O   -4.70195055     -0.793633521       6.42905283    
 H   -5.01140165      -1.61811733       6.03550863    
 H   -3.97246385      -1.04531324       7.00879669    
 O   -2.08927512       2.44143796       5.02499294    
 H   -3.03607631       2.25684285       5.04095888    
 H   -1.67570233       1.68942904       5.47106457    
 O   -2.35614491      -1.85311317       7.59215117    
 H   -1.53992403      -1.99408901       8.08795166    
 H   -2.47381639      -2.63869119       7.03900194    
 O   -2.89284229       1.05117774      0.708765864    
 H   -2.45473313      0.243223071      0.411626637    
 H   -2.22320843       1.54188120       1.20160413    
 O   -2.64366007      -4.14233637       5.95301676    
 H   -1.89281404      -4.52801561       6.42771912    
 H   -2.33440423      -4.00564766       5.04593563    
          69
 Energy    -249.26243272078392     
  O     16.13793909      9.87409469    -17.99167537
  H     15.24716918     10.20215020    -17.83068635
  H     18.21088275      7.11210786    -10.60803324
  O     15.89939851      6.10544658    -12.95159893
  H     16.40994297      9.44052710    -17.16704269
  H     19.75743873     10.66041791    -17.74197488
  O     18.37310848     14.00214749    -13.25994071
  H     15.03680875      6.53415841    -13.01064553
  H     21.28609554     10.42874426    -17.82796255
  O     19.28419383      9.89624622    -14.90637564
  H     16.44104708      6.63076445    -12.35084870
  H     16.93436660      7.72818790    -15.59922098
  O     15.03837765      6.01970413    -17.53367567
  H     18.50482554     14.91496110    -13.02064470
  H     17.77355771      9.02721261    -15.36419011
  O     15.23359168      9.58871547    -13.62777393
  H     17.54101491     13.71584925    -12.84122562
  H     12.91075984     11.19627329    -17.29807786
  O     17.70492201     12.35946845    -15.45012190
  H     19.87065513     10.02753544    -15.66207572
  H     14.03781548     11.22299851    -16.24397017
  O     19.53105691      7.44735361    -13.45632491
  H     19.54209588     10.45511188    -14.15537905
  H     17.38542233      9.40620503    -11.40386654
  O     13.43529829      7.47710364    -13.47080342
  H     15.66563292      5.88010258    -16.80214150
  H     16.42094772     10.05619607    -12.38979661
  O     19.60513540      5.62885863    -15.62815586
  H     14.69940698      5.15983265    -17.77098895
  H     13.91905049      7.33552931    -16.71508284
  O     16.82500263      5.87520589    -15.49375886
  H     15.79529141      9.22429784    -14.33017896
  H     13.46670307      8.80260019    -16.46390564
  O     17.82129789      7.56052334    -11.35454992
  H     14.54553771      8.93792831    -13.45001724
  H     18.70255696     11.03453767    -12.29508026
  O     20.49176608     10.11614064    -17.40392667
  H     17.99317869     13.01628813    -14.80298724
  H     19.29186953     12.36436519    -12.80885275
  O     16.89687209      8.69254916    -15.59646087
  H     18.15355642     11.53747788    -15.22014357
  H     15.52993825     12.70853351    -13.05183638
  O     13.63814372     10.68707507    -16.94848078
  H     19.62023469      6.75969879    -14.12732201
  H     16.36109138     12.05069145    -11.92500041
  O     17.09733963     10.26801996    -11.72855663
  H     19.57307063      8.28501837    -13.93207398
  H     18.73325912      7.38964923    -18.16277400
  O     13.38653558      7.89857322    -16.13976574
  H     12.55405748      7.32092836    -13.14328492
  H     19.89395232      8.28593365    -17.64494456
  O     19.48452855     11.42454618    -12.71303805
  H     13.36490686      7.57405129    -14.43860496
  H     14.98297501     11.14616038    -14.39911135
  O     16.08669121     12.90287319    -12.28930963
  H     19.63940455      6.25279358    -16.37829988
  H     15.87407607     12.15789287    -15.17149589
  O     19.54891814      7.38784500    -17.63984426
  H     20.20253678      4.91560812    -15.83345642
  H     17.56179863     11.02452572    -18.22555009
  O     14.96589428     11.98815755    -14.88291157
  H     17.76365027      5.65485610    -15.51765898
  H     18.12421827     12.08741982    -17.27834287
  O     18.33179189     11.59232469    -18.08141986
  H     16.52670044      5.86262873    -14.57069914
  H     16.76515247      8.33603331    -18.84572668
  O     17.10431369      7.43847092    -18.96385078
  H     18.46514319      7.49622059    -12.08335840
  H     16.40690180      6.87129376    -18.61563962
          69
 Energy    -249.26242557266602     
  O     13.57171166      9.48819782    -10.88614133
  H     13.46517853      9.95125220    -11.72877612
  H     12.21362058      6.68342592    -11.11781106
  O     13.60698921      9.50702331    -16.95807186
  H     14.05010411     10.06180482    -10.27507715
  H     19.00244103      8.28631915    -12.52486706
  O     16.29459552     10.86293556    -13.55839264
  H     13.30300152     10.36110467    -16.62593932
  H     18.76458024      8.39816936    -14.04895794
  O     14.28307249      4.63506224    -13.12069066
  H     13.38198107      8.86240788    -16.27565044
  H     14.08433327     12.23259135    -15.82376925
  O     16.14869190      8.35597993     -8.37461519
  H     16.68251937     10.93198912    -12.67506978
  H     12.66749432     12.84527742    -15.95254176
  O     15.82721854     12.24900391    -15.95627777
  H     15.35017160     10.69106868    -13.45259381
  H     14.14781842      7.45569641    -14.65248571
  O     15.48845546      7.62494857    -11.76871420
  H     14.72474612      4.60345256    -12.26018676
  H     12.70742424      7.31082288    -14.10938811
  O     13.51356893     10.38993851    -13.47632062
  H     14.85547024      5.15384776    -13.69796722
  H     16.39367421      9.78079562    -18.50357599
  O     17.28561056     10.82530320    -10.99760749
  H     15.54741199      7.60115000     -8.37291445
  H     15.29814668      9.69834704    -17.41370995
  O     18.30530301      5.45646621    -13.33627467
  H     16.84177256      8.16589827     -9.01698586
  H     11.21045493      5.50672693    -13.13734202
  O     18.34828606      5.24136236    -10.65580119
  H     16.09274779     11.57427015    -16.59298466
  H     12.74952407      5.45602866    -12.98414378
  O     12.44360747      7.05300801    -10.25804719
  H     16.13056299     11.92872561    -15.09486124
  H     13.83720339      5.85030772     -7.67360140
  O     19.34251345      8.00573409    -13.37952275
  H     15.35117887      6.76605453    -11.34555694
  H     13.54693472      6.48019961     -9.05886026
  O     13.13378830     12.05155478    -15.70635035
  H     14.81480405      8.23665871    -11.44853360
  H     16.50268449      5.02613295    -10.54027028
  O     13.27470210      7.87027752    -14.65370091
  H     13.40685849      9.51539964    -13.87846432
  H     15.14819541      5.28164740     -9.79784505
  O     16.23917273      9.89446875    -17.56970175
  H     13.26331929     11.03680127    -14.14722069
  H     18.27260192      7.15815073    -10.56714074
  O     11.97103797      6.03750923    -12.91325598
  H     17.70763496      9.98443166    -10.78523965
  H     17.10574218      7.99820962    -11.12548828
  O     14.25864256      6.18907885     -8.45890333
  H     16.61289208     10.95944449    -10.31893330
  H     16.39661524      7.40397286    -14.76093161
  O     15.54292532      5.05273582    -10.64935376
  H     17.47418202      5.64351221    -13.78166809
  H     15.72957663      7.06682993    -13.41090678
  O     17.95799157      8.06525491    -10.66313652
  H     18.82038788      6.27475150    -13.42161597
  H     15.52957557      9.95563287     -8.69075865
  O     15.84573191      6.74159005    -14.31988655
  H     18.36623200      5.22735220    -11.63137983
  H     15.10020557     11.38675306     -8.27858294
  O     15.20479709     10.80964813     -9.03005649
  H     19.05649026      4.67703118    -10.35812288
  H     17.10201167      9.18219967    -16.07194978
  O     17.33186947      8.89958383    -15.17894690
  H     12.69132435      7.97460740    -10.42362912
  H     16.99552326      9.58612669    -14.58177937
          69
 Energy    -249.26195727028721     
  O     11.48656215      9.02060283    -15.29237206
  H     12.09152821      8.40807199    -15.73455484
  H     16.45556213      5.79682903    -14.01373223
  O     16.27545048      7.01664186    -12.65467530
  H     11.81288674      9.90426622    -15.49539150
  H     15.02384733      9.83111079    -17.71630635
  O     16.15034310     11.34056807    -11.87166908
  H     16.91337633      7.70282115    -12.41993834
  H     15.68233977     10.84156188    -16.77530587
  O     16.90062097     10.61508199    -15.38525786
  H     15.59731071      7.00791647    -11.96626379
  H     15.45043886      8.08919088    -13.86795659
  O     13.59445825      4.87493272    -15.05591746
  H     15.32348458     11.24913626    -12.36681538
  H     14.49223713      8.27619704    -15.08159048
  O     14.74877258     10.43434730     -9.59692566
  H     16.66778244     11.99263724    -12.36458343
  H     11.01597418      8.42922971    -13.73889367
  O     14.25371341      7.17536207    -10.75851007
  H     17.74014625     10.14598399    -15.30497551
  H      9.84783825      7.97926098    -12.83014237
  O     13.82606819     10.89632939    -13.34476632
  H     16.23124264      9.98851763    -15.07068885
  H     18.76648229      7.41121025     -9.25555883
  O     17.49840559      7.24276624    -16.50163591
  H     13.18448531      4.02683765    -15.20277521
  H     17.41301542      8.13264773     -9.16967912
  O     15.69552413      8.17061216     -8.49740243
  H     13.26335197      5.20084243    -14.19934502
  H     11.96686191      6.56987967    -12.79262753
  O     19.02109674      8.94254814    -14.66572858
  H     15.31003156     10.84688249    -10.26748154
  H     13.21089618      6.15599588    -11.98630300
  O     16.42433708      5.31373529    -14.85198655
  H     13.92054667     10.21129281    -10.04092460
  H     17.22162750     12.12610734    -14.41275412
  O     14.90438408     10.70853122    -17.33407152
  H     14.71624177      7.34200525     -9.92973488
  H     17.44412102     13.64394837    -14.30190808
  O     15.03415374      8.74739641    -14.43769466
  H     13.73868430      7.97394914    -10.94755259
  H     18.18514259      8.89091165    -11.23349483
  O     10.79725368      8.05877460    -12.86429017
  H     13.40601590     11.31945276    -14.10079024
  H     17.34272592      9.93309553    -12.03300224
  O     18.28112168      8.15793369     -9.59909042
  H     14.21327023     10.07609371    -13.69516368
  H     16.24534616      7.76709324    -17.56356738
  O     12.65495338      5.89567898    -12.73050972
  H     17.16742498      6.49925487    -15.97371895
  H     15.70798659      7.71589457    -19.01223741
  O     17.42399514     12.84108107    -13.78769816
  H     18.06274493      7.75655534    -15.91653597
  H     13.02594683     10.02897926    -11.99664783
  O     17.95227528      9.18809239    -12.12492504
  H     15.42662359      8.11499016     -7.58428603
  H     11.93234822      8.99197744    -11.69721366
  O     15.49061926      8.00933359    -18.13174875
  H     15.38147789      9.03278961     -8.82953395
  H     13.49025879     11.24761907    -16.43768537
  O     12.68669975      9.44560883    -11.30133795
  H     19.97323317      8.99261768    -14.63425839
  H     12.34820962     12.28049099    -16.32089066
  O     12.74740047     11.53628347    -15.87836792
  H     18.71008121      9.01769133    -13.74782069
  H     14.10674634      7.47820380    -17.03472590
  O     13.47013148      7.36564036    -16.31695671
  H     15.50321310      5.05201697    -14.96056082
  H     13.52028775      6.45450569    -15.99894072
          69
 Energy    -249.26178567827282     
  O     -0.60759955      0.21854779      0.29141364
  H     -1.50704360      0.56628023      0.28472810
  H     -3.61781042     -1.56727326      1.84262574
  O     -1.93427793      4.82727572     -0.43764986
  H     -0.67195571     -0.73956035      0.19120359
  H     -2.99982746      0.63586303      6.58118316
  O     -2.65047115      3.28918431      1.80428227
  H     -2.18924701      5.69540569     -0.73878935
  H     -3.02608270      1.26410068      5.16707577
  O      2.71841396     -0.59627730     -0.40687709
  H     -1.93719693      4.24885937     -1.22080601
  H     -3.44262129      0.36947552      0.98693403
  O     -3.44995495     -2.90037204      0.64814865
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  H     -3.10462163      1.87521087      0.78794924
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  H     -1.80972860      3.26133950      2.28469668
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  H      2.41171119      0.30388068     -0.57982215
  H     -4.01284564      0.82745196      3.28333275
  O      1.32615692      1.81953115     -0.84632694
  H      2.20443539     -1.17036948     -0.98753286
  H     -1.29800715      2.42852468      5.91495320
  O      1.00517868     -2.20514651     -2.05506324
  H     -3.66465907     -3.82957232      0.62580370
  H     -0.97685206      3.80143100      6.52519169
  O     -0.77266244     -2.56703462      0.08325605
  H     -2.51999665     -2.83445907      0.37522247
  H     -0.14257888      4.43382889      0.18220476
  O     -1.21278190     -0.80572843      3.97912474
  H     -0.14279841      0.48451022     -3.43598014
  H      0.50150542      3.92179035      1.47981449
  O     -3.53497583     -0.76406129      2.37603309
  H     -1.46609229     -0.11178606     -2.92173549
  H      1.23915922     -2.29106179      2.52191117
  O     -2.43727163      0.96350609      5.88419106
  H     -1.00823928      2.94058223     -2.95620967
  H     -0.17039477     -2.24254110      3.15689092
  O     -3.25315269      1.04284669      0.31792237
  H     -2.38490058      2.35829166     -2.59232360
  H      1.51529371      0.16428499      2.62636699
  O     -3.96663732      1.66145318      3.77074498
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  H      0.25875181      0.54679698      1.80475310
  O     -0.74506779      3.21663447      5.80758989
  H      1.22778792      2.64944104     -0.35648743
  H     -0.32279615      3.36218297      4.04585839
  O      0.68314804      4.09317496      0.54607482
  H      0.42958299     -1.55547968     -2.49860273
  H      0.21103201      2.36615432      2.98681724
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  H      1.31387193     -2.80379421     -2.73002866
  H      0.98420324      2.09261515     -2.53249051
  O      0.70777605      0.69052788      2.65251598
  H     -0.32018985     -2.73447548      0.92604338
  H      1.37424254      2.56922552     -3.95315110
  O     -0.18448286      3.24346386      3.09716919
  H     -0.12913660     -2.61241091     -0.63353237
  H     -3.26213554      0.74473257     -1.41758882
  O      0.66055256      2.19272945     -3.44589591
  H     -0.53867060     -0.23751013      3.57725903
  H     -3.97834440      0.30135059     -2.71090018
  O     -3.14782390      0.63084044     -2.37633069
  H     -1.55360514     -0.31661765      4.73653710
  H      2.80590495     -0.98827186      1.28311540
  O      2.76597671     -1.15992602      2.24143360
  H     -2.72207792     -0.84935539      2.89349510
  H      3.66401521     -1.27778565      2.53802215
          69
 Energy    -249.26178258996228     
  O     -5.54397042      8.30610187     -7.56676300
  H     -5.89254302      7.42167040     -7.40610432
  H     -9.65173874     11.54868065    -10.36496575
  O     -6.41146764     10.04400809    -12.87785735
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  H     -7.28797601     13.25553936    -11.29760876
  O     -4.23858441      8.01239150     -9.98238098
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  H     -7.79437817     13.29061187     -9.84424454
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  H     -6.86580621      9.66600816    -12.10676111
  H     -8.36096442     11.65206895     -8.45099064
  O     -1.52180803      6.89712301     -7.72000663
  H     -3.27215831      8.02468342     -9.95275115
  H     -9.48158304     12.56569155     -7.90695525
  O     -6.24267274      5.58215131     -7.64520277
  H     -4.47104590      7.15171939    -10.34834421
  H     -2.83750871      9.93465629     -7.08816462
  O     -1.44611472      7.90977721    -10.32662933
  H     -6.94854756      4.85799708    -13.15502184
  H     -3.87133837      8.80129858     -6.89847703
  O     -7.98012897     12.40936516    -12.90489995
  H     -6.12142145      6.14449520    -12.90923469
  H     -1.82749531     11.01966438     -9.36956593
  O     -4.17900003     10.43213977    -11.31979834
  H     -1.99430426      7.66251978     -7.34469402
  H     -2.38550015     10.68780751    -10.76342079
  O     -5.26490604      7.53281705    -13.50554891
  H     -0.85574680      6.64719839     -7.08495262
  H     -2.93681481      5.62098719     -8.09943653
  O     -2.73609963     11.69240919     -7.79602183
  H     -5.31854591      5.34086978     -7.83691705
  H     -3.73148411      5.03474643     -9.29146459
  O     -9.66121057     11.09591080    -11.21729157
  H     -6.58333287      4.91675789     -7.05371228
  H     -7.21734392      5.98619911    -10.84610892
  O     -7.05528497     13.54958558    -10.40854202
  H     -1.29627450      7.52208920     -9.45548664
  H     -7.10572024      6.09129974     -9.29576879
  O     -9.03096350     12.30879293     -8.70716193
  H     -1.33942564      8.87230477    -10.25869968
  H     -1.79135927      6.84483431    -13.35844379
  O     -2.93290509      9.01576042     -6.81134526
  H     -8.43934996     12.88562059    -13.59167802
  H     -2.03149558      7.33920035    -11.91685205
  O     -1.59148661     10.61985501    -10.21472731
  H     -8.66135410     11.96182159    -12.37048495
  H     -3.48471950      5.76048393    -11.69107205
  O     -3.67529490      5.04458641     -8.32471100
  H     -4.25980414      9.57911982    -10.86764283
  H     -4.91214524      5.17426286    -11.54347586
  O     -7.50643161      6.49043497    -10.07603737
  H     -4.87576889     10.43577241    -11.98785279
  H     -6.54897934      9.77407515     -7.88389701
  O     -2.47422139      6.98678832    -12.70737080
  H     -5.61455171      8.42804297    -13.40890381
  H     -6.23313305     11.12109825     -8.59239554
  O     -4.09366315      5.35166455    -11.06243307
  H     -4.32605732      7.56005846    -13.29179643
  H     -5.59954836     12.79659344     -9.69582362
  O     -6.95497572     10.55247123     -8.28867414
  H     -2.44251230     12.46872356     -7.32524659
  H     -4.66626474     11.61133921    -10.07380939
  O     -4.94460996     12.17880478     -9.33937822
  H     -3.54214277     11.94821308     -8.27581125
  H     -7.45791721      9.61649284     -9.83825925
  O     -7.73786105      9.14779654    -10.63356245
  H     -9.15086235     10.28535382    -11.07634090
  H     -7.71195888      8.20085321    -10.43330603
          69
 Energy    -249.26150206647208     
  O     -6.75611971      2.81010792      0.08338282
  H     -7.13682589      3.15884197     -0.73202796
  H     -3.80662079     -2.54901398      2.74105263
  O     -5.58116415      2.88382050     -4.04128662
  H     -5.80053036      2.97759508      0.05802464
  H     -2.95384076      0.30832993      2.61771292
  O     -6.62480646      2.09097073      2.76803189
  H     -4.75637525      2.77792920     -3.54951149
  H     -3.11540578      1.07963593      3.92783566
  O     -2.54436198     -3.16917701      1.41066452
  H     -5.76143106      2.02024444     -4.43335791
  H     -3.87811364      2.04118814      0.43958864
  O     -2.71790271     -1.56979436     -0.82456091
  H     -6.76755409      2.40629827      1.86116778
  H     -3.51026899      3.51800662      0.73177589
  O     -6.24780013      0.17444745     -4.71609441
  H     -7.36337981      2.40658316      3.28488429
  H      1.77652261      0.08666073      1.49023566
  O     -6.78714987      0.09020891     -0.65555794
  H     -2.41172052     -4.08422804      1.17485406
  H      0.33663557     -0.39648782      1.77547996
  O     -4.67012467     -0.34834938     -2.42482014
  H     -2.63139865     -2.67865194      0.57649252
  H     -0.52586965      2.61867790     -0.22877986
  O     -3.40455848      2.16061166     -2.39918315
  H     -1.85039356     -1.20399124     -1.06204001
  H     -0.01193312      1.84206205      0.99538531
  O     -0.70186455     -1.38445190      2.71974070
  H     -3.35750981     -1.29416216     -1.49298360
  H     -7.90463491      0.32676959     -2.13890908
  O     -0.32457876     -0.37287044     -1.30203649
  H     -7.03863281      0.30221578     -4.16121294
  H     -8.27085952      1.65478381     -2.81796308
  O     -4.36636504     -2.05611816      3.35357908
  H     -6.53213485     -0.28430017     -5.50173192
  H     -5.65295800     -1.18679121      2.49667202
  O     -2.75821553      0.25918039      3.56538470
  H     -6.79589872      1.03331131     -0.44074742
  H     -6.34983400      0.21787948      2.39300565
  O     -4.03278637      2.95576578      0.14829545
  H     -6.69050612     -0.36336405      0.19251970
  H     -3.28062077     -0.26674335      0.33274835
  O      0.87178102      0.18528637      1.20646647
  H     -5.37603461     -0.23815361     -1.77013097
  H     -4.53381031      0.00417730      1.21785988
  O     -0.47309112      2.64823580      0.73382191
  H     -5.09723579     -0.31117896     -3.28912261
  H     -1.95922096      4.95460247      2.24721164
  O     -8.25833492      0.70047691     -2.95859711
  H     -3.62126885      2.54294378     -1.53545984
  H     -1.63401611      3.57875444      1.62069825
  O     -6.14978020     -0.59449078      1.91181114
  H     -3.76810200      1.26413650     -2.40986292
  H     -6.93627790      3.35722629     -3.04372929
  O     -3.68996425      0.37519611      0.92556907
  H     -1.32038445     -0.80410209      3.18697040
  H     -8.17271395      4.25890881     -2.81635447
  O     -2.34726332      4.11612065      2.01231371
  H     -1.23954573     -2.07672692      2.31878173
  H     -3.46923011      3.22376790      3.31213824
  O     -7.70652218      3.50455040     -2.46570794
  H     -0.38728081      0.50961610     -1.68633436
  H     -4.85496223      2.56594368      3.52100447
  O     -3.99415869      2.70307827      3.93293010
  H      0.15977806     -0.25901656     -0.47379997
  H     -0.28928526      2.82422392     -2.83552405
  O     -0.68967948      2.33492252     -2.12135185
  H     -3.82767431     -1.30973079      3.65115530
  H     -1.64244652      2.29597675     -2.30835076
          69
 Energy    -249.26133082878297     
  O     14.08133833      9.21066692    -10.50442611
  H     13.83605143      9.79572835    -11.23572925
  H     13.00111933      6.56981936     -9.81344240
  O     13.16975554     10.54919418    -16.40623132
  H     13.34883005      8.60161684    -10.34747534
  H     18.70253566      8.89334731    -14.67408850
  O     16.47199585     10.81011066    -13.29433683
  H     13.00725579     11.33180354    -15.86547659
  H     19.12383021      7.55846910    -14.05861882
  O     14.12821816      4.62031456    -13.96804509
  H     14.01566464     10.70598136    -16.84428874
  H     14.06670212     12.90464950    -14.74855034
  O     16.68261943      7.01850944     -8.09339653
  H     15.54496391     10.72280603    -13.03187607
  H     12.70544959     13.60329250    -14.50907730
  O     15.77311829     12.85399063    -15.14294018
  H     17.01352761     10.38821246    -12.61900475
  H     13.15189678      9.13797176    -15.32467274
  O     15.73737704      7.49566512    -11.97707292
  H     13.42190379      5.19047873    -13.60922753
  H     14.06383782      8.00529828    -14.76485402
  O     13.70501236     10.59277969    -12.83004252
  H     13.70132554      3.91561520    -14.44717000
  H     16.26827357     11.03486013    -18.20201755
  O     17.98929102      9.03290914    -11.60011788
  H     16.89964935      7.05254236     -7.16510530
  H     16.26922202     10.35076584    -16.81476426
  O     18.40681476      5.88029315    -14.23448650
  H     16.61485789      7.94093696     -8.39912290
  H     12.47197275      7.18193002    -13.51126221
  O     18.33202319      4.42585432    -11.77527004
  H     15.86511808     12.37016253    -15.97368949
  H     12.26805120      6.63897485    -12.06841932
  O     12.28146442      7.09319177    -10.21246774
  H     16.18596830     12.29950735    -14.46759356
  H     15.14924109      6.15120740     -8.78981353
  O     19.24014030      8.51668211    -13.97013775
  H     15.68464999      6.57947191    -11.67630116
  H     14.78370244      5.21594640     -9.96448350
  O     13.12946935     12.75006729    -14.53163305
  H     15.12209397      8.02155989    -11.45074050
  H     16.50701092      4.47993794    -11.64682513
  O     13.25817104      8.50592736    -14.59641783
  H     13.40472288     11.38722358    -13.28791861
  H     15.11982881      4.53475063    -12.37136991
  O     15.83167905     11.03202372    -17.35427202
  H     13.51350837      9.84343076    -13.41373853
  H     17.99052620      6.64489772     -9.40924792
  O     12.33867302      6.37651229    -12.99335067
  H     18.56617666      8.91634431    -12.37172107
  H     18.61085329      7.43814082    -10.57666503
  O     14.40452612      5.74097945     -9.24597164
  H     17.23070376      8.44073903    -11.73227365
  H     15.17003540      6.05342834    -14.60950479
  O     15.57637984      4.71859235    -11.54113216
  H     18.39112972      5.32781504    -13.44338387
  H     15.71556253      7.18518040    -13.70764162
  O     18.59545200      6.57056193    -10.15830361
  H     17.48856637      6.07573086    -14.44710602
  H     15.63230862      9.52504325     -9.55682439
  O     15.65477736      6.88865299    -14.63204221
  H     18.49641920      5.17772157    -11.17678977
  H     17.13763500      9.54213867     -9.91615078
  O     16.52173992      9.49673672     -9.17485552
  H     18.98540504      3.76180682    -11.57244800
  H     16.52939597      8.39237000    -15.39906588
  O     16.89942594      9.26612533    -15.57252503
  H     11.50849148      6.95932308     -9.67040559
  H     16.73892137      9.79896265    -14.77808710
          69
 Energy    -249.26090153124682     
  O     10.99274111      9.10384613    -15.64902477
  H     11.08940648      9.92397980    -15.14444505
  H     17.94733152      9.58418419     -9.82980183
  O     15.82353356      7.44881563    -11.58636141
  H     11.24879211      8.38193171    -15.06407023
  H     16.57208469     11.73190435    -17.16923735
  O     16.07894767     12.02801635    -14.05582077
  H     16.26190575      7.31601740    -12.43646490
  H     15.34697221     10.81253043    -16.96496471
  O     12.05356009      9.89621906    -18.01405117
  H     16.30734584      8.16402067    -11.15973622
  H     11.73685942     12.12997529    -13.72207111
  O     14.01241621     10.23081757    -13.66558475
  H     15.97584379     12.01162391    -15.01742968
  H     12.09742753     11.99498498    -15.25007864
  O     13.03899494      7.57090986    -11.60171095
  H     16.77152643     11.39267966    -13.82393008
  H     15.33543804     12.26560793    -10.51975146
  O     17.30468082      8.73882731    -18.31780745
  H     11.63606860      9.55533054    -17.20205753
  H     15.39037669     12.10204232     -8.98154342
  O     13.17333445     10.38091270    -11.03563972
  H     11.42532092      9.77138067    -18.71989759
  H     12.28256647      7.15470667    -13.10981418
  O     18.67469479      7.37688608    -16.42047223
  H     14.73577291     10.86026719    -13.78122922
  H     11.48101492      6.10190949    -13.90725561
  O     16.95641496      7.53197288    -14.19847359
  H     13.21227463     10.63749552    -14.02704448
  H     13.88083641     12.32942589    -16.82601346
  O     19.40621374     10.04912555    -15.65055439
  H     12.89092298      8.44289636    -11.22141932
  H     12.60378645     11.63062972    -17.33040676
  O     17.33219610      9.71734355    -10.54764540
  H     13.99931951      7.43962613    -11.57981567
  H     17.50122482      9.16425805    -13.63570916
  O     15.69170890     11.69716286    -16.77472474
  H     17.64918116      9.63985408    -18.30273843
  H     17.78456947      9.97520826    -12.35146585
  O     11.71556236     11.53918801    -14.48236283
  H     16.35871528      8.81286918    -18.12875278
  H     13.99877667     13.29142509    -12.00769476
  O     15.45792952     11.61836779     -9.80062668
  H     13.52875983     10.21835586    -11.92577551
  H     15.37121327     12.98882107    -12.66684861
  O     11.93394703      6.93633725    -13.99336404
  H     13.91647571     10.67251307    -10.49540025
  H     14.57147082      8.64779908    -16.63085831
  O     12.91692353     12.36745602    -16.78999685
  H     19.18885732      6.67576787    -16.81126003
  H     13.80421474      9.36722828    -17.76961076
  O     17.83039733     10.01716166    -13.31345905
  H     18.17104191      7.79334018    -17.14326776
  H     11.42156500     13.15330395    -11.39350983
  O     14.94950781     13.29003688    -11.84891320
  H     16.05594735      7.56541177    -14.55442635
  H     12.34629668     11.92560818    -11.56098423
  O     14.68872524      9.16491894    -17.44037832
  H     17.55072590      7.35424754    -14.93743914
  H     18.95377256     11.92742203    -18.18213212
  O     12.09250245     12.77605940    -11.95756810
  H     18.99838747     10.14765250    -14.78047997
  H     18.74455784     10.97491268    -16.98071182
  O     18.30373076     11.38162146    -17.74840852
  H     19.31575620      9.11465589    -15.87575355
  H     14.27572833      8.70678490    -14.49964366
  O     14.35920202      7.88743992    -15.01487403
  H     16.69827385     10.38946915    -10.25276408
  H     13.57605851      7.36964501    -14.79806426
          69
 Energy    -249.26083552537429     
  O     18.80300314     10.44747303    -14.15585596
  H     19.25510961      9.62215779    -14.38377731
  H     18.19133243      3.84481680    -14.72244969
  O     21.41428780      6.91185000    -12.56320393
  H     17.98194002     10.44304566    -14.66037609
  H     15.23038379      9.99854074    -14.22937706
  O     15.79711519      7.66336946     -9.38896073
  H     21.12218763      7.42995826    -11.79914795
  H     15.47256435      9.62538161    -12.74821831
  O     12.96531245     10.42187259    -11.38810424
  H     20.99277850      7.31495229    -13.33370207
  H     17.30131942      7.74497552    -12.58952514
  O     16.38585717     10.16171573    -15.69442805
  H     15.26139868      7.01085140     -9.86096844
  H     17.87850737      6.30949112    -12.42304291
  O     13.82590820      7.15932383    -13.22797069
  H     15.19870717      8.37354469     -9.11096845
  H     17.46335865      7.15937069     -9.03463501
  O     18.33142997      5.07506877    -11.12803129
  H     12.09406931     10.23102966    -11.72869214
  H     18.55018745      6.71817492     -8.02909425
  O     20.62051791      4.36388738    -12.53604754
  H     13.56737395     10.31691509    -12.14142356
  H     19.18122000      5.47802818    -16.16914381
  O     15.92838032      3.85665362    -11.72971247
  H     16.21740295     10.74283285    -16.43196060
  H     19.79145258      5.88273246    -17.53043846
  O     16.43440793      3.24471823    -14.31258102
  H     16.54808527      9.27878884    -16.07234706
  H     13.67045668      9.98479912     -9.79580020
  O     19.76265056      7.88485748    -14.59927524
  H     14.37705818      6.68077190    -13.86322448
  H     13.90969530     10.45739962     -8.35392413
  O     19.04431488      4.23300975    -14.95192816
  H     14.05461158      8.09074458    -13.33136651
  H     19.90424720      9.21098287    -10.79574493
  O     14.77815819      9.82969926    -13.39501246
  H     18.49261064      5.61779011    -10.34725701
  H     19.65987793      7.95061698     -9.93710908
  O     17.62391299      6.97428478    -13.07506753
  H     19.17736999      4.78074405    -11.49129886
  H     19.18878590     11.61063823    -11.24301017
  O     18.39039862      6.87831123     -8.95617839
  H     21.35922992      3.78051234    -12.38767667
  H     18.94740945     10.68018849    -12.45707055
  O     19.27830347      6.21512154    -16.79920873
  H     20.97637137      5.27269262    -12.55280106
  H     16.42001754      6.30513448    -14.21960369
  O     14.06983404      9.72894426     -8.94824129
  H     16.78555664      4.19705601    -11.43403993
  H     15.87501574      4.97793623    -14.79251547
  O     20.31294490      8.39163218    -10.49174766
  H     15.27634443      4.50168418    -11.43403229
  H     17.65583158      7.24723582    -16.85342182
  O     18.95759289     10.71762559    -11.48216842
  H     16.22028264      3.40440135    -13.37541276
  H     16.30626702      7.04914583    -16.15647398
  O     15.74886216      5.93278168    -14.81501809
  H     16.06761484      2.39420117    -14.53740619
  H     13.29010796      5.69187163    -10.52086095
  O     16.80726343      7.67672487    -16.69642904
  H     19.01798509      7.55034329    -14.07443865
  H     14.00619907      6.39136647    -11.69925206
  O     14.15185578      5.93353244    -10.85136785
  H     19.73199235      7.40676591    -15.43566845
  H     17.44214403      9.71369954    -11.41789687
  O     16.69849447      9.12283095    -11.59321746
  H     19.57670542      4.23606868    -14.14796701
  H     16.42181666      8.70238167    -10.77036912
          69
 Energy    -249.26009919865044     
  O     16.66194924     11.37940011    -13.18261898
  H     15.91781680     11.98857338    -13.10472118
  H     17.76041930      7.66690296    -10.17268278
  O     15.42649865      6.47170514    -11.85127065
  H     16.33154350     10.53307692    -12.83797335
  H     11.89112301      6.58481425     -8.18238693
  O     11.58765924      8.36433754    -12.98043774
  H     15.64983881      6.37149267    -12.78649342
  H     13.26258015      7.20530543     -8.53144957
  O     13.98263847     11.04074533    -10.46929908
  H     14.48249694      6.28673792    -11.75247094
  H     14.86068093      9.68326177    -11.47463405
  O     19.08659209      8.41857397    -11.29582912
  H     12.15336556      9.03789229    -13.38217645
  H     15.34413909      8.28956911    -12.01661652
  O     13.09686516      6.86858767    -16.71493431
  H     11.20008939      7.86971536    -13.71375723
  H     17.21496015     10.72626053    -14.73712661
  O     15.99910955      6.47563935    -14.55870064
  H     13.18345040     10.51186163    -10.32142035
  H     17.99525393     10.75635746    -16.07322767
  O     13.44834852     10.16781699    -14.02081847
  H     14.65967004     10.78910488     -9.82539021
  H     12.40161908      5.03666337    -13.02104808
  O     16.12766173     10.04238585     -9.09436728
  H     20.00537003      8.16703304    -11.24064800
  H     11.63831278      5.29673164    -14.33034478
  O     14.33156150      4.50808201    -15.63572206
  H     18.80934828      8.25215318    -12.21363942
  H     18.13808311      8.72873608    -14.47370503
  O     14.83652191      7.71832634     -7.95636815
  H     13.75066847      7.56713857    -16.58381672
  H     17.61892492      7.33422917    -14.09805554
  O     16.95063861      7.35393977     -9.75171371
  H     13.54813692      6.03965286    -16.51228223
  H     11.92408187      8.59404247     -9.77877218
  O     12.39467542      6.96322175     -8.89855747
  H     15.62504429      7.26409751    -14.97607398
  H     11.56910888      9.08532675    -11.19926955
  O     15.25520402      9.22466994    -12.22814420
  H     15.54613304      5.71788554    -14.94932333
  H     12.33896023      6.97010894    -12.05183203
  O     17.44608472     10.20288445    -15.52374530
  H     13.49162029     11.09967396    -13.78117150
  H     12.54580953      6.34489849    -10.64371162
  O     12.25060885      4.68201469    -13.90710137
  H     14.08200330      9.73151200    -13.42519255
  H     10.06430082      6.79447923    -15.76493306
  O     18.28659439      7.99318158    -13.86891321
  H     16.82408494     10.56051273     -9.52393533
  H     11.60823157      6.89431686    -15.79325969
  O     11.82082842      9.38752680    -10.31753455
  H     16.33941387      9.12630465     -9.31988613
  H     17.75752141     11.35731204    -11.56021347
  O     12.69715301      6.20021811    -11.58591497
  H     13.60733892      4.48936246    -14.98400641
  H     18.54167167     10.21179805    -10.90296668
  O     10.83567613      6.81612002    -15.20496460
  H     14.42689148      3.62028190    -15.96909067
  H     14.39404291      9.31907596    -15.33859679
  O     18.12702531     11.06517474    -10.71909888
  H     15.59281013      7.33814566     -8.42571697
  H     15.83328957      9.27091529    -15.90514392
  O     15.00349755      8.78042662    -15.86304664
  H     15.03161970      8.66083704     -7.92883256
  H     14.05713651     12.12693874    -11.85288968
  O     14.14018423     12.61298264    -12.69367021
  H     16.44664122      6.91367305    -10.45253528
  H     13.78876595     13.48558232    -12.53933750
          69
 Energy    -249.25992763678153     
  O     14.09596969     14.04485138    -13.71639468
  H     13.36215686     13.84913949    -14.30932728
  H     12.92330592     11.41629297    -14.85414561
  O     15.39126786      9.66282492    -17.61675329
  H     14.88570020     13.94510999    -14.26752218
  H     14.91647346     11.56125165    -17.41634241
  O     15.76920465      8.82619320    -11.62044705
  H     14.81459210      9.14292228    -17.03233811
  H     15.30642590     12.91095213    -16.76002875
  O     18.31103650     14.86162501    -13.84087550
  H     15.29757525      9.29491590    -18.49269106
  H     11.66741944     13.23460503    -16.27018679
  O     13.97919773      8.31136111    -15.66735446
  H     16.39987163      9.54636564    -11.48853832
  H     13.15426161     12.81423722    -16.38650708
  O     14.60091758      6.36267114    -10.94736521
  H     14.88969233      9.22957652    -11.65183974
  H     19.04826365     13.17711866    -13.29702665
  O     15.13948041      5.05239088    -13.25869397
  H     18.79991106     15.67692432    -13.91188419
  H     19.53748892     11.78696792    -13.77595149
  O     16.06507628     11.12613811    -14.10323397
  H     17.61425860     15.00883661    -13.17586404
  H     13.78997110     12.99443212    -12.13788355
  O     13.17348938      9.86193522    -11.82277545
  H     13.63222096      9.11965763    -15.25905386
  H     13.48031343     11.65984626    -11.39127278
  O     16.15270905      7.54689544    -14.06711165
  H     14.72418125      8.02507767    -15.11795388
  H     16.88344983      9.42671249    -16.47741017
  O     19.83361423     10.73109902    -15.24310951
  H     13.67843130      6.63822491    -11.01501155
  H     17.14696648      8.57892966    -15.19248764
  O     13.36173491     10.67072634    -14.42885468
  H     15.12071530      7.17677722    -11.00597222
  H     13.46734853      5.74722974    -13.92352539
  O     14.61533547     12.46449553    -17.27076454
  H     15.44357429      4.15823736    -13.13165360
  H     12.97566907      6.93619813    -14.77169428
  O     12.41876820     12.94658963    -15.75991911
  H     14.98016135      5.42651202    -12.37244518
  H     15.18236429     12.94435541    -10.38699981
  O     19.27469374     12.29080786    -12.99298603
  H     16.43643567     11.16551842    -13.21149256
  H     15.95792772     13.28066866     -9.08654928
  O     13.76609086     12.57340675    -11.26901963
  H     16.60432630     10.51676626    -14.62217995
  H     16.34208229     12.68637690    -14.90936298
  O     17.47979868      9.31567837    -15.72615154
  H     13.11791647     10.10640962    -12.75926025
  H     17.09110328     14.03948905    -15.00693057
  O     12.69395511      6.29581459    -14.10697431
  H     12.66232185      9.05166285    -11.70891841
  H     16.91826156     11.82467540    -10.99082812
  O     16.06279042     13.16232412    -10.02633153
  H     15.94876035      6.62216446    -13.88311073
  H     18.06305987     11.51211128    -12.00372174
  O     16.34141058     13.54609114    -15.35894319
  H     16.06451249      8.02369624    -13.22810311
  H     11.11824750      7.00365630    -11.42059505
  O     17.26254720     11.15124499    -11.58975694
  H     20.59114397     10.24104459    -15.55432698
  H     12.15540531      6.95561434    -12.56785366
  O     11.98087451      7.31608582    -11.68034796
  H     19.05947106     10.19273251    -15.46669758
  H     15.39973264     14.92949270    -12.53848250
  O     16.24049557     15.10558148    -12.09940834
  H     14.29746076     10.90526663    -14.31759455
  H     16.26193864     14.52590136    -11.32749799
          69
 Energy    -249.25963014640809     
  O      4.20565670     -0.78443654     -0.62173728
  H      4.07920598     -0.82061778     -1.57751951
  H     -0.97625753     -0.12681170     -1.12007831
  O     -3.08804571      1.17693645      2.65206557
  H      3.73914200     -1.53932876     -0.24341059
  H     -0.76994616      3.02172377      3.07434455
  O      4.29939860      1.56150224      0.70030512
  H     -2.45963779      1.70600827      3.17708514
  H     -0.51528726      2.37408054      4.44566434
  O     -2.05204224     -2.78837118      0.08730343
  H     -3.92646476      1.22161968      3.10339809
  H     -0.67427088      2.37941829     -5.12096042
  O      1.10972201      1.80490196      5.14228201
  H      5.21444889      1.80469125      0.81205655
  H     -0.64484950      1.13682273     -4.20482005
  O      2.18763238      1.69727412      2.56971843
  H      4.29196472      0.69632659      0.24996510
  H     -0.84474509      3.04065852     -2.73520919
  O      0.09661646      3.08240595      1.38753717
  H     -2.63610826     -3.53625878     -0.00329554
  H     -1.56931002      3.09324941     -1.35397252
  O      2.70881835     -2.78763033      0.77784726
  H     -1.17178091     -3.08420744     -0.20819780
  H      1.20195481     -3.38398664     -0.24101109
  O     -2.19469732      2.03221584      0.11189275
  H      1.60610144      1.75002438      4.31071189
  H      0.64100181     -3.00921482     -1.61617468
  O      1.18517014     -1.71327780     -2.81685049
  H      1.74560548      2.04478241      5.81182506
  H      3.11484854      2.29317743     -0.52895558
  O      1.20598684     -0.77168964      1.76662664
  H      2.96445983      1.69726254      1.99792666
  H      2.01980744      3.32447886     -0.96785219
  O     -1.91642815     -0.32831263     -1.26106468
  H      1.48883267      2.19968018      2.12215835
  H     -1.59913401     -0.48387698     -3.10060600
  O     -1.21845491      2.69533086      3.86533206
  H      0.39355926      3.80330685      0.82021874
  H     -0.32103357     -1.04032884     -3.74128843
  O     -0.34360856      2.05889489     -4.28519680
  H     -0.62421704      2.64250511      0.91545467
  H      3.30866870      0.09253667     -3.63883600
  O     -1.03448207      3.60393088     -1.97489360
  H      3.08248278     -3.32315192      1.47338995
  H      4.37891448     -0.89978433     -4.15392243
  O      0.41838441     -3.47110073     -0.79597622
  H      2.17972568     -2.09395910      1.21215482
  H     -2.03671401     -0.41178288      2.42427164
  O      2.41694197      2.46883320     -1.17144420
  H     -2.19888660      1.20414327     -0.39025819
  H     -1.75206283     -1.71760736      1.62875072
  O     -1.10841561     -0.51351905     -3.93347390
  H     -2.63465558      1.83089955      0.94709597
  H      1.53146358      1.74218340     -4.05643318
  O      3.74823133     -0.75782886     -3.45352521
  H      1.06785892     -1.03915475     -2.12863103
  H      2.52408078      1.98211656     -2.91004650
  O     -1.41156747     -1.13849091      2.32198806
  H      2.07402385     -1.57242491     -3.16095053
  H      0.92754020     -0.13038509      0.06397914
  O      2.44543760      1.58886142     -3.79117781
  H      1.54429318      0.03264268      2.17710226
  H      1.25863106      1.00658433     -0.95334119
  O      0.75041052      0.19685093     -0.82779292
  H      0.28831129     -0.90277659      2.05250906
  H      0.99912666      5.74402244     -0.81943690
  O      0.95615919      4.80744743     -0.65222904
  H     -2.08350200     -1.17557615     -0.83046974
  H      0.21884265      4.45424073     -1.18691292
          69
 Energy    -249.25962705697165     
  O     17.98562929     11.68097706    -17.82863683
  H     17.23222674     11.20053556    -18.18759184
  H     15.97801242      7.33657853    -15.62019731
  O     13.79206873      6.99448142    -13.47897861
  H     17.63350341     12.21607869    -17.10381829
  H     16.78872222      6.06313633    -12.53690593
  O     18.35293179     13.08033458    -12.00582750
  H     14.57331936      6.72930198    -12.95604405
  H     16.31836238      7.29181156    -11.71831648
  O     20.56843512      7.07576971    -13.73848787
  H     13.04262132      6.53868673    -13.10628026
  H     20.59406787      9.07198309    -16.42042339
  O     16.00382149      7.56395129    -18.51715429
  H     18.84643882     12.67269079    -12.72902046
  H     20.02773380      7.68697260    -16.81665713
  O     14.76958807     12.22983025    -11.88024992
  H     17.65555831     13.60452739    -12.41889030
  H     17.83880978      8.13577368    -16.16027331
  O     14.49063878      9.73657065    -13.19979572
  H     20.66233573      7.43075345    -14.64144527
  H     17.86589664      8.72784142    -14.71555678
  O     19.35849574     11.68026886    -14.26029296
  H     21.43979951      6.81814986    -13.45048386
  H     16.81820907      9.89992641    -10.95589032
  O     18.20496547      5.47451720    -13.48675915
  H     15.79955015      8.50515462    -18.58199551
  H     15.94336247      9.36180533    -12.11799563
  O     15.46895298     10.55448163    -15.66920786
  H     15.54596575      7.24414236    -17.72973553
  H     14.74370467     10.82139507    -18.84961817
  O     17.28491729      4.78512159    -16.10852526
  H     14.51958209     11.39697887    -12.30046036
  H     15.31315971     10.44907823    -17.46183065
  O     15.29684520      6.68208719    -15.84130444
  H     15.40781130     12.00186999    -11.19269616
  H     17.22855609     11.83670968     -9.30681635
  O     16.02129981      6.45405723    -12.09390777
  H     14.11681319      8.85257883    -13.29765972
  H     17.55961396     12.09497366    -10.79654249
  O     20.65520638      8.12897117    -16.22762083
  H     14.73582560     10.03839116    -14.08606329
  H     19.44908918      8.45612740    -13.22000583
  O     17.30174214      8.55913573    -15.47987419
  H     19.19417099     10.81415574    -13.85588197
  H     18.15362478      9.08917143    -12.57130372
  O     16.68562705      9.14044447    -11.53664599
  H     19.84844557     11.50427955    -15.07202171
  H     15.57172881     15.05209543    -13.09253742
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  H     19.04349067      5.94198636    -13.57472767
  H     15.49130347     13.53758918    -12.78273315
  O     17.00115486     11.57183210    -10.19380383
  H     17.97810026      5.15749376    -14.36880458
  H     18.25946294      6.11715808    -17.07718119
  O     18.83374151      9.19880677    -13.24999801
  H     15.94110345     11.38902563    -15.53847968
  H     17.71921897      7.19401749    -18.03849859
  O     16.01278322     14.22050575    -13.24212054
  H     16.14007354      9.85254929    -15.63725483
  H     17.85608355     12.41499439    -14.97081101
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  H     16.98883609      3.94000838    -16.43748353
  H     16.67086679     13.39218279    -14.75374504
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  H     16.49438468      5.34435355    -16.01929051
  H     21.07105882     11.34499455    -17.31057560
  O     20.38691519     10.91983784    -16.79876755
  H     14.65311892      6.72185204    -15.12494799
  H     19.54384028     11.13235973    -17.23664869
          69
 Energy    -249.25962547440457     
  O     18.27374706      9.36091031    -10.78956425
  H     17.62708880      9.31046406    -11.51786142
  H     16.09014545      7.91425022     -7.23882534
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  H     15.09916928      3.05948339     -9.92742659
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  H     17.63548717      7.41765434     -6.00632409
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  H     14.15327959      5.51874481    -11.33337026
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  H     15.89438261      5.78768523    -12.73256834
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  H     13.22967261      8.23718236    -12.69590681
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  H     12.66600364      2.56957702     -9.15170346
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  H     14.03124804      9.33026909     -4.59211564
  O     12.93695159     10.10732744     -7.90270565
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  H     14.88960275      8.90047772     -5.80538011
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  H     16.12173369     10.92034064     -8.93003046
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  H     18.93571944      5.93812536     -7.38159921
  H     17.40454444     10.14835155     -9.30766768
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  H     18.83459660      4.63580439     -8.20619660
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  H     12.53658602      6.99561579     -7.46281826
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  H     17.23689809      3.05579040     -8.88272837
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  H     18.30243701      2.15364775     -8.22166760
          69
 Energy    -249.25956678031392     
  O     -3.87629405      1.48796706      4.61760225
  H     -4.30479105      2.29364068      4.93797776
  H     -3.57773590      2.28953804      0.65402559
  O      0.92933304      4.44261222      1.06296443
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  O     -0.86021440     -0.01496281      1.59182694
  H      0.98896209      3.67122790      0.47129417
  H     -6.18380218      3.45359882      0.46803740
  O     -5.75000416      0.35695107     -1.14913697
  H      1.50787386      5.11019636      0.70445526
  H      0.28794383      1.75230086     -0.77022616
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  H      1.46769873      1.50219021      0.19323814
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  H      0.09933812     -0.04920642      1.68846978
  H     -4.99159362      4.55566762      5.98844091
  O     -7.53189654      3.28499327      3.88758157
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  H     -4.76467368      4.38624522      4.46615068
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  H     -5.80127279      1.31355286     -1.25462052
  H     -1.64530492      3.51303522      2.51389116
  O     -1.38562758      1.99719080      3.48802209
  H     -4.27827282     -0.47114789     -1.47618830
  H     -0.84581066      4.49775945      1.62645144
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  H     -3.54088173     -1.59019097     -2.25213647
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  O     -5.62292562     -2.04525155      2.53263944
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  H     -4.91665023      4.54021256      2.28492637
  O     -3.14199318      2.88430507      0.02281562
  H     -4.16567128      0.37701741      1.64803662
  H     -5.98480598     -1.04521684      5.83384013
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  H     -7.21043533      3.44218569      2.98866212
  H     -6.43196498     -0.19407706      4.61879456
  O      1.08769100      2.15489895     -0.40803914
  H     -6.80381801      3.53474148      4.46801029
  H      1.30041448      3.34284577      2.62450949
  O     -5.06659146      3.92983987      5.27327866
  H     -6.75854938     -1.13914825      1.53829133
  H      0.44185802      2.44377281      3.53464331
  O     -1.73618220      4.27921083      1.92669615
  H     -8.12352179     -1.07141162      0.81909978
  H      2.71177491     -0.02893615      1.99172229
  O     -4.31025457      4.96917680      2.90244630
  H     -1.27544215      1.27182672      2.85718358
  H      1.80667354      1.17767237      2.34327116
  O     -5.66234893     -0.61823331      5.04471840
  H     -2.16907062      1.79882421      4.01657936
  H     -7.73149170      1.50318668      3.79963227
  O      1.35137519      2.60857961      3.24875381
  H     -5.49075967      3.81016388     -2.06785462
  H     -7.65372090      0.34045551      2.77088580
  O      1.90955568      0.41945234      1.73980500
  H     -4.61582507      3.18936344     -0.95233274
  H     -3.33375118     -1.28102836      0.26972677
  O     -7.67935873      0.53999103      3.71223210
  H     -5.55833133     -1.67561714      3.42109717
  H     -2.41879043     -0.98218658      1.48661557
  O     -3.30879338     -1.26323853      1.23491224
  H     -4.75095444     -1.93494121      2.12800275
  H     -2.00404396      1.71467500     -0.71613616
  O     -1.42683936      0.97869093     -0.96986103
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  H     -2.00829235      0.29281638     -1.31960572
          69
 Energy    -249.25877264158413     
  O     14.76071477     10.13200802    -16.10601790
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  H     18.40886397     10.06620460    -17.76482079
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  H     19.39446549     11.23136061    -18.03072327
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  H     15.93787369      8.95855867    -15.28189931
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  O     16.61000297      8.41389723    -14.85386471
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  H     14.35946354      8.89903163    -19.03533310
          69
 Energy    -249.25845422592877     
  O     -3.09189247     -1.58901114      6.95253163
  H     -2.18968582     -1.70987710      6.62601276
  H      1.50390137     -1.29010241      3.48696783
  O     -2.90525535      0.55315649      2.91009998
  H     -3.51121221     -0.93925416      6.37424104
  H      0.04062943     -2.89161560      1.40870202
  O      1.92138996     -3.38190142      5.71266785
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  H     -1.18871917     -2.22309945      0.69956847
  O     -4.25175712     -3.98426819      6.45348058
  H     -2.06998188      0.13719508      3.15732593
  H     -2.08779659     -3.74845121      1.96000974
  O     -0.69339080     -2.32415845      5.68861992
  H      2.67543826     -3.35753142      6.29495627
  H     -3.60242528     -4.11893683      1.94971818
  O      0.58099727     -5.50981949      4.34025503
  H      2.14803898     -2.84298478      4.93289587
  H      1.81662299     -3.18741047      0.32132343
  O     -5.47212249     -2.51495428      4.33205310
  H     -4.63143407     -4.38950378      7.22818855
  H      1.70779330     -4.37693180      1.34878997
  O     -0.46972113      1.08753985      1.26783701
  H     -3.85845922     -3.13916380      6.73953324
  H     -5.36871122     -3.00729921      2.69063696
  O      1.24249300     -6.12507510      1.79543550
  H     -1.17315332     -3.08861581      5.33543436
  H     -6.06969615     -3.61472749      1.45060950
  O     -0.88547228     -4.14114685     -1.95842560
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  H      1.13572459     -1.68950207     -1.29647054
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  H      0.71616385     -3.13669263     -1.64194407
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  H     -0.50417822     -1.14293354      4.32229196
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  H     -5.20519740     -1.61847852      4.56988521
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  H      0.03314490      0.43930342     -0.30136822
  O      1.77895194     -3.41863646      1.26152254
  H     -0.14875077      0.60099725      2.03783605
  H      0.48201881      0.73940692     -1.74707490
  O     -5.23367337     -3.28169404      1.76490455
  H     -1.38253354      1.29140840      1.49303385
  H     -1.67237630     -2.57162574     -1.38599686
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  H      1.79444042     -6.90237019      1.80564380
  H     -1.25157554     -1.08908286     -1.15819805
  O     -0.38314384     -0.69412670      3.47456485
  H      0.99838942     -5.94273100      2.72133960
  H     -3.93975822      0.30031444      4.30609669
  O      0.22568836      0.03022948     -1.16268134
  H     -1.05490026     -4.66183362     -2.73875481
  H     -5.00623485      0.82773503      5.29028808
  O     -1.91978080     -1.75198839     -0.93773126
  H     -0.95910174     -4.74534671     -1.19770781
  H     -2.35072007     -4.61312784      3.88518618
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  H     -4.41553428     -1.71589914      1.09648534
  O     -3.91302904     -0.92903218      0.85429215
  H      2.23041852     -2.39699074      2.69941167
  H     -3.32344474     -1.19277512      0.13610379
          69
 Energy    -249.25832466272348     
  O     15.07862342      9.62876428    -15.76684944
  H     15.53210149      9.54002488    -16.61409651
  H     20.00366867      4.68848448    -16.63287021
  O     17.85932943      6.13108063    -12.03192263
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  H     17.86407899      8.45892298    -17.59147880
  O     19.36974428      5.42821891    -18.05617920
  H     17.36218178      6.83623197    -12.46080184
  H     18.81014574      8.36150530    -16.35053245
  O     17.00389867      4.57119629    -19.40096014
  H     18.71433938      6.09832227    -12.48771087
  H     17.43049357      6.66201022    -16.31292433
  O     13.95053556      6.62127826     -9.88998471
  H     18.61270174      5.11120029    -18.56338148
  H     17.19069329      5.28899309    -15.60244842
  O     14.18308372      4.66933153    -13.60819192
  H     19.20200783      6.36315858    -17.87300017
  H     13.62827771      8.51128145    -15.51004054
  O     16.53892718      8.04294288    -13.72909103
  H     16.96700961      4.06905576    -20.21117696
  H     13.17826490      7.72020841    -14.27663417
  O     17.60583336      3.51764805    -15.37409061
  H     16.53547022      4.04832924    -18.72560038
  H     14.80929403      3.16408975    -10.51342718
  O     13.34905840      4.02103562    -10.97550608
  H     13.67613152      7.04113927     -9.07942310
  H     15.60461652      2.01576465     -9.84403638
  O     19.05644826      8.87383454    -14.56259175
  H     14.85632309      6.29257942     -9.74652211
  H     13.68884053      6.32227142    -16.02964955
  O     15.67752443      3.32912004    -17.39240976
  H     14.10568956      4.80497913    -14.55850101
  H     15.16048999      5.83848740    -16.15367639
  O     20.26446668      4.30612284    -15.77498541
  H     15.06089171      4.30385352    -13.42970305
  H     20.16012612      5.62674555    -14.40238930
  O     18.53882425      7.91528023    -17.16234576
  H     16.61579332      7.34827163    -14.40537454
  H     19.88467390      7.11729932    -14.08139944
  O     16.85678202      6.19021139    -15.69680316
  H     15.68559079      7.91680767    -13.28824580
  H     16.44258935      3.26660146    -11.98539005
  O     13.05910512      7.77886368    -15.23127256
  H     18.56280417      3.62799427    -15.43731159
  H     17.13261902      4.54930716    -12.52250223
  O     15.70573524      2.82634272    -10.33494223
  H     17.36723535      3.43812038    -14.43933308
  H     17.03986532      5.79268992    -10.37298043
  O     14.24128076      5.58636398    -16.33889298
  H     13.37470338      4.89517282    -10.56652878
  H     16.30726822      4.58205556     -9.75772096
  O     20.03397012      6.25408170    -13.68013759
  H     13.42143266      4.17139521    -11.92754040
  H     14.73980062      6.36950767    -18.09863411
  O     16.70551144      3.72343836    -12.79367556
  H     18.18580450      8.70137226    -14.16914101
  H     15.87838822      6.05911480    -19.09114103
  O     16.43295919      5.53454210     -9.66657399
  H     19.38056452      9.67978800    -14.16685124
  H     14.02224479      7.20207344    -11.65743449
  O     15.28463736      6.75907710    -18.79108268
  H     16.33018831      3.24088410    -16.68261886
  H     14.16058628      6.36381099    -12.94813251
  O     14.16483354      7.27152689    -12.60868387
  H     15.00038571      3.93388930    -17.06615488
  H     15.91850545      8.34391637    -18.52512273
  O     16.34646723      9.18927220    -18.29578377
  H     21.07388822      3.82383079    -15.92171752
  H     16.18166126      9.78863663    -19.01877509
          69
 Energy    -249.25813478987163     
  O     18.10116742     10.65563385    -17.69426007
  H     18.84604457     11.05431064    -17.22534805
  H     17.08111923      6.12092660    -13.39771770
  O     15.22142986      5.84648596    -13.88301786
  H     17.39612179     11.31339646    -17.74014650
  H     20.09421250      9.48950027    -14.09040154
  O     17.22005747     12.83439984    -11.43095124
  H     15.25388792      5.92804973    -14.85277896
  H     20.70606306      8.35413920    -14.89972819
  O     15.12421673      7.75035072    -18.81744015
  H     14.84124797      4.99132766    -13.69776093
  H     17.60284782      9.44183997    -16.42738270
  O     14.26034425     10.70542559    -11.18216278
  H     17.75210058     12.83338793    -12.23587095
  H     17.54626891      7.94788730    -16.01240725
  O     14.76695096      8.26080131    -12.51559427
  H     16.32765058     13.07227602    -11.71291701
  H     15.68229718     13.28048770    -17.94744459
  O     18.29829905     12.51442170    -14.04459416
  H     14.79373040      8.57648724    -18.42439621
  H     15.76737369     12.51662095    -16.60480306
  O     20.13694978      6.50274734    -14.76093626
  H     14.54756696      7.54778032    -19.54991377
  H     17.14746056      9.13264836    -10.60950618
  O     14.89929565      9.68348472    -14.90456677
  H     14.24068218      9.84569787    -11.62090410
  H     17.74218535      8.97405833    -12.01928429
  O     18.21305170      6.36027213    -16.80864204
  H     15.00865244     10.67298666    -10.57235804
  H     14.74727057     10.86594097    -17.74004055
  O     15.51032788      6.00985546    -16.55933821
  H     14.77316476      7.40256269    -12.95853890
  H     14.29557443      9.87322104    -16.65502875
  O     17.96287080      6.36716424    -13.09458034
  H     15.62564377      8.33106705    -12.07257296
  H     16.99727020     11.49418506    -10.29762272
  O     20.76792861      9.30571683    -14.76124172
  H     18.92846860     12.34743681    -14.75554760
  H     16.92236111     11.03033641     -8.82526995
  O     17.35370211      8.84249488    -15.71097629
  H     17.40770926     12.48896259    -14.42387642
  H     18.35355754     10.77188870    -13.47157212
  O     15.90552024     12.43608018    -17.56394369
  H     20.74790457      5.81886193    -14.49785887
  H     18.05624209      9.40986643    -14.16225646
  O     17.28569511      8.48754140    -11.31193067
  H     19.38572318      6.45226853    -14.14234535
  H     13.83359737     13.69475766    -12.10398455
  O     14.27966303     10.03423021    -17.60905223
  H     15.73192333      9.30483137    -15.22869851
  H     14.35087915     12.24080746    -11.99237824
  O     16.72460864     10.76066600     -9.71823489
  H     14.72061716      9.24600019    -14.06428285
  H     15.35451457     11.39524702    -14.83289959
  O     18.42929591      9.81631823    -13.36439768
  H     19.01329859      6.37526370    -16.27210850
  H     15.19493364     12.73226093    -14.07342042
  O     14.52725122     13.11020645    -12.39693590
  H     18.34215812      6.89490960    -17.60764432
  H     20.96290585     12.08700153    -16.29207763
  O     15.61281291     12.33036141    -14.84496005
  H     15.23107460      6.56222007    -17.29713405
  H     20.44540734     10.78078196    -15.64829123
  O     20.16521448     11.62314322    -16.05032159
  H     16.47240955      5.93766984    -16.65420631
  H     17.02530863      7.96438452    -18.99123225
  O     17.98274403      8.08682174    -18.93502137
  H     17.82223355      6.96627029    -12.35090694
  H     18.11352376      9.00897411    -18.68180325
          69
 Energy    -249.25812076935222     
  O     12.31469768     13.05256688    -12.16035987
  H     12.74501735     13.26315939    -13.00770912
  H     17.32806075     11.97058928    -16.23376735
  O     18.61502242      7.22039349    -11.17548030
  H     11.54073225     13.60647695    -12.10334359
  H     11.87815974      8.20403069    -16.29172342
  O     17.34582904     10.90471441    -12.15314272
  H     17.88000035      7.77107163    -10.87599041
  H     12.40490448      8.41772440    -14.85527252
  O     12.41478648      7.95754712    -13.16011151
  H     18.20851935      6.45824328    -11.60673050
  H     15.80234441     10.82572214    -13.09787423
  O     15.05482699      6.90229866    -12.54363867
  H     17.95878217     10.62203969    -12.84459422
  H     14.28246540     10.50234464    -12.93008179
  O     17.33473166      5.25491558    -12.82327065
  H     17.08603683     10.12713984    -11.64077268
  H     14.37528386     11.09731574    -15.15018862
  O     13.53158175     13.57441411    -14.53359367
  H     13.16154077      7.43618380    -12.84317743
  H     13.35127461     10.41874043    -16.07618275
  O     17.55581479      8.67994634    -16.23981689
  H     12.42718947      8.77286470    -12.63791157
  H     21.29015994      8.02451645    -12.68749644
  O     16.27409357      8.73166653    -10.77414211
  H     15.12565504      7.31223449    -13.41894757
  H     19.80603480      7.84340159    -12.28736409
  O     16.31842279     10.95465635    -17.48922598
  H     15.72698065      6.20948241    -12.54148192
  H     16.60686613     15.19618974    -14.58185434
  O     18.76257224      6.54214271    -14.76509366
  H     17.49279120      4.31661514    -12.88547197
  H     16.80774962     13.67297838    -14.73754700
  O     17.75394027     12.42528702    -15.49742789
  H     17.79687598      5.66581901    -13.57572308
  H     16.49821213     13.89210440    -12.48389005
  O     12.54193543      8.66692507    -15.78770728
  H     14.44618836     13.88006342    -14.46032978
  H     17.00898160     12.65589386    -11.72385188
  O     14.99893347     10.58047899    -13.57234699
  H     13.53466097     12.87967649    -15.20152523
  H     15.20880748     13.19977881    -10.59369316
  O     13.96121121     11.16439313    -16.02756693
  H     16.73709743      8.40720265    -15.79508079
  H     13.68053019     13.08401101    -10.77681818
  O     20.39830529      8.11909064    -13.01027408
  H     17.28377262      9.38340952    -16.83950024
  H     19.57282468      9.54282024    -13.86121222
  O     16.24225233     14.35149980    -14.32867216
  H     15.76821107      8.13429173    -11.34293714
  H     18.48819252      9.62049052    -14.96143256
  O     16.63572364     13.53991546    -11.59745436
  H     15.64471584      9.22106733    -10.23026849
  H     13.26820626     10.26751581    -10.92857642
  O     14.39579790     12.89899160    -10.15892581
  H     16.19016480     11.25960665    -18.38433715
  H     12.53884007     11.24713684    -11.89620151
  O     18.94916826     10.14251984    -14.28968289
  H     15.45850485     11.03120827    -17.04388174
  H     14.11081091     10.24646529     -8.51047157
  O     12.83958958     10.33415271    -11.79171367
  H     19.43083108      7.02692651    -14.26387685
  H     14.44759844     11.27469553     -9.61827566
  O     14.36950132     10.32122795     -9.42501784
  H     18.42172699      7.16296212    -15.41985782
  H     14.35157177      8.21713935    -15.41453361
  O     15.20201219      8.22940086    -14.95999165
  H     18.29901288     11.76432682    -15.05355075
  H     15.20725364      9.05110911    -14.44161421
          69
 Energy    -249.25798102833033     
  O     16.62155065      9.34672326    -10.73790722
  H     15.85644829      8.86968155    -11.08502437
  H     12.98380461      8.30062080     -5.78790941
  O     17.01157292     12.01447051    -10.39674077
  H     17.36302659      8.72634777    -10.68764459
  H     17.19989665      4.57148368    -11.23376402
  O     12.72739031      6.47142487     -6.27152987
  H     17.00437943     12.47631147    -11.23107423
  H     16.99308461      3.10846084    -10.77000481
  O     14.38618307      7.88359522    -11.48633178
  H     16.85078381     11.07525046    -10.59361441
  H     14.52386319      6.30627834     -6.83949305
  O     18.64389183      7.54599329    -10.31752971
  H     12.40697369      6.50175495     -7.19066115
  H     15.46312411      7.28645247     -7.59004924
  O     20.49481204      9.08759944     -8.90254094
  H     12.15386654      5.87266374     -5.80073097
  H     18.23057864      6.42123910    -11.78846032
  O     17.81438124      5.66091373     -8.39938097
  H     13.65163545      8.37762648    -11.10235772
  H     17.17498884      6.19074940    -12.90333169
  O     12.08337613      6.57374828     -8.91454980
  H     14.46732371      7.06042251    -10.98107007
  H     17.85879911     12.37179793     -5.37574764
  O     15.48690716     12.38798595     -7.99251771
  H     18.34776316      6.92413682     -9.63757896
  H     17.66149763     10.98303820     -6.02420183
  O     12.33148753      9.19107056    -10.07202397
  H     19.36413530      8.05910713     -9.92993987
  H     15.20277375      7.38402208    -13.04836717
  O     13.48688806     10.51325816     -8.00846879
  H     21.41681732      9.29197028     -9.03364597
  H     15.26793781      7.01689184    -14.53868924
  O     13.21507893      9.22592729     -5.64620556
  H     20.03235023      9.93730088     -8.79005698
  H     14.98903823      9.47756479     -8.02850402
  O     16.83355616      4.01458826    -10.52188343
  H     17.59249627      4.97381044     -9.03981359
  H     16.14591807      9.08713668     -8.98491885
  O     15.32586550      6.35087276     -7.37208640
  H     16.99555641      5.84377164     -7.91609479
  H     18.76333107     11.66712757     -7.76214476
  O     17.81393624      5.74118072    -12.33301389
  H     12.07003447      7.45856385     -9.29949573
  H     18.50215985     11.69217640     -9.27618629
  O     17.71870260     11.93535762     -6.21211048
  H     12.77780044      6.09119437     -9.38115320
  H     16.23252244      9.08130755     -4.62288227
  O     15.79479034      7.06083697    -13.74451142
  H     15.94835737     12.35894347     -8.83987723
  H     15.76174043      8.57023070     -3.25443658
  O     15.78645889      8.93774837     -8.10314146
  H     16.17592092     12.30673236     -7.32253763
  H     14.80117364      5.83992759     -9.03743924
  O     19.14605024     11.41775941     -8.61226129
  H     11.57512094      9.68667370    -10.37564134
  H     15.22088842      4.95709154    -10.22792073
  O     15.47899964      9.07570689     -4.01269048
  H     12.72445940      9.70318691     -9.34324243
  H     18.97988318      6.73193667     -7.26471987
  O     14.55243345      5.58935250     -9.93952565
  H     14.08171409     11.27571925     -7.95255608
  H     19.86347011      7.98107251     -7.46957052
  O     19.39266015      7.46974536     -6.79921260
  H     13.31039565     10.17178956     -7.11649634
  H     16.87531290      9.16198114     -6.71446607
  O     17.46643842      9.22834172     -5.94937670
  H     13.95085524      9.22445535     -5.01833223
  H     18.19158647      8.60946406     -6.11180965
          69
 Energy    -249.25776874452896     
  O     11.73317222      9.78704971    -10.80998535
  H     11.22110445      9.14300112    -11.31457420
  H     15.46109136      5.82193143    -16.79866662
  O     13.54290922      7.16216006    -14.72091803
  H     12.13558010     10.37217482    -11.46319756
  H     17.32667754      6.88416702    -16.60957112
  O     17.85147136     10.25368552    -10.74646942
  H     12.88214759      7.86515877    -14.76463324
  H     18.00080672      5.52096122    -16.88117668
  O     17.11170468      8.52998357    -17.16551507
  H     14.37247147      7.58374695    -14.44661166
  H     14.17733332     11.52334899    -15.78633151
  O     11.74723440      9.25815508    -14.49240110
  H     18.33537399     10.30689449    -11.57997754
  H     14.61027430     12.98764843    -15.52921497
  O     16.07666576      6.52951147     -9.69803734
  H     18.14272576      9.43740672    -10.31947320
  H     15.67241898      8.70726519    -12.90599670
  O     13.04052318      6.15588229    -12.20751864
  H     16.25704095      8.60490446    -17.60813920
  H     16.35123677      7.45266337    -13.57068385
  O     15.29494342      9.72896405    -11.52460205
  H     17.14883133      9.25406117    -16.52840772
  H     19.02941682      7.43406751    -11.54359761
  O     14.47238980      8.42288614    -18.27707528
  H     12.26656016      9.86700532    -13.94325631
  H     19.19500142      8.26683419    -12.83237529
  O     15.42606884      4.68337364    -11.79652923
  H     11.18856572      8.75836103    -13.88620076
  H     11.40658215      7.01939368    -12.27566457
  O     16.94083810     10.37329965    -15.02811868
  H     15.26128875      7.04289817     -9.62970664
  H      9.86694909      7.11210633    -12.26223018
  O     14.54292075      6.00485535    -17.02933252
  H     15.89377166      5.83197532    -10.33823394
  H     19.85706265     10.61110197    -13.65567178
  O     17.34987917      5.95074912    -16.33178805
  H     13.74843154      5.53120239    -12.00929906
  H     18.38148975     10.27882433    -13.95974518
  O     14.70386007     12.09771950    -15.19969354
  H     13.20629281      6.45261483    -13.11576971
  H     17.28181120      5.77549650    -14.50084055
  O     15.83262262      8.24715605    -13.74309246
  H     14.84138675      9.14177148    -10.90689156
  H     17.97908119      6.27180711    -13.18487965
  O     19.15190599      7.36254132    -12.49943972
  H     16.15187686      9.98744114    -11.15713964
  H     17.65018842      7.26411343     -9.69674706
  O     10.65915094      7.62395274    -12.40843629
  H     14.26582737      8.33115953    -19.20389654
  H     18.99085590      7.45056018     -8.94995607
  O     19.10504451     10.12097739    -13.33179360
  H     14.43771028      7.52909004    -17.89327325
  H     13.60023979      9.69979889    -17.21011241
  O     17.19843954      5.81485792    -13.53931529
  H     15.57865510      3.74263327    -11.75120035
  H     12.56410248      9.96757640    -16.08127191
  O     18.52925724      7.67937516     -9.75215602
  H     16.05997745      5.03774518    -12.44419949
  H     13.47099229      7.32893008    -10.80615459
  O     13.21309369     10.38994705    -16.65744554
  H     16.26253377     11.05634106    -15.08578689
  H     12.99703372      8.63292704    -10.13437277
  O     13.69130240      7.95854608    -10.10585881
  H     16.51668072      9.59867071    -14.62256536
  H     13.74389547     11.50244530    -13.63979071
  O     13.31122024     10.97728993    -12.95700077
  H     14.11049039      6.28211690    -16.20767625
  H     14.02834155     10.59310027    -12.42948408
          69
 Energy    -249.25728421000252     
  O     12.08857427      9.67303065    -16.81828890
  H     12.00656126      9.30415132    -17.69327821
  H     13.12040852     13.26662056    -11.24247529
  O     10.47180724      7.90011041    -10.85196393
  H     11.18468480      9.77948238    -16.47107936
  H     16.07658318      8.43351921    -11.57305445
  O     13.39184005      9.10764596    -14.36505629
  H     11.23806039      7.44152988    -10.48688706
  H     16.88152458      8.72754197    -10.29682435
  O     13.57639099     12.55589409     -7.81853046
  H     10.28725660      8.65583772    -10.28386000
  H     14.03126846      8.22278232    -12.87722155
  O     12.54599941     12.31253446    -15.77169464
  H     13.81745196      9.96218627    -14.19844451
  H     14.11089140      8.82516680    -11.44775907
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  H     14.03655829     15.33751258     -9.97509028
  O     13.94389310      7.97129121     -7.98819690
  H     13.57349854     13.26011748     -8.47606248
  H     14.82208998     14.03272114    -10.25133164
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  H     14.42708126     12.10867630     -7.93436709
  H     13.40875405      6.95021772    -10.86214844
  O     12.21163433     10.20396954     -8.21137114
  H     13.31787458     12.19862517    -15.20242071
  H     12.92187424      5.57303125    -10.35189230
  O     16.30340108     13.16084965    -10.54589457
  H     12.46106995     11.48448853    -16.26018300
  H     17.85509523     11.29053080    -13.02049360
  O      9.83143113     10.52001518     -9.68355061
  H     10.69675436      8.63454938    -12.44683968
  H     16.97573559     10.43115207    -12.08936342
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  H     11.73468600      9.12208207    -13.52104861
  H     10.09137910     12.22661132    -12.95357641
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  H     13.55678946      7.38878959     -8.65373710
  H     10.50462491     10.81078458    -12.51202646
  O     14.28281371      8.02050384    -11.96750503
  H     13.32317224      8.70460820     -7.88730710
  H     15.17688333     10.82528689     -9.44046385
  O     13.93785165     14.39239312    -10.05035865
  H     13.49255086     11.06495135    -10.98542464
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  H     13.97624293     12.00790205    -13.17545242
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  H     11.33945055     10.35536724     -8.59423057
  H     15.40593153     11.50828297    -13.51610744
  O     10.30265889     11.69872091    -12.17319300
  H     12.57871109     11.06780053     -7.96448075
  H     10.98867819     12.74113184    -15.07177299
  O     15.80294734     11.11558740     -8.75880658
  H     16.57008980     12.64909068    -11.31758661
  H      9.75303189     13.66793650    -15.11527121
  O     14.51576196     11.60694197    -13.87420172
  H     16.29863589     12.52243947     -9.81743762
  H     17.10398394      7.94955413     -7.77227294
  O     10.09238707     12.87277286    -14.71320629
  H      8.92896489     10.65956441     -9.40446824
  H     15.65650526      8.25487233     -8.22033503
  O     16.59302569      8.46081534     -8.39359521
  H      9.94158518     11.01604684    -10.50997865
  H      9.93562232      9.69077849    -14.75077118
  O      9.70404749     10.12509925    -15.58556224
  H     11.97852469     12.38367616    -11.88983829
  H      9.64352038     11.06381527    -15.37424389
          69
 Energy    -249.25690074689123     
  O     -6.67173934      2.87366281      0.23705829
  H     -6.42986312      2.64523391      1.14155305
  H     -6.54387534     -0.90877222      0.89897967
  O     -3.70877599      3.87856154     -2.73822545
  H     -6.08918063      3.60044649     -0.01887092
  H     -3.80843894     -1.07335695      3.22836802
  O     -5.90482603      1.92754921      2.84649258
  H     -4.10236956      2.99892876     -2.82195043
  H     -4.08201701     -2.51637166      3.72467313
  O     -2.90927293     -2.03362168      0.43450084
  H     -2.77417229      3.72697356     -2.54060821
  H     -0.96757532      0.84819280      1.55269387
  O     -0.66816171      0.51292456     -2.25719834
  H     -6.13385427      1.04224304      2.50931406
  H     -1.68928297      2.22047406      1.69038721
  O     -4.77819221      1.29118840     -2.55427979
  H     -6.48475289      2.09514814      3.58626851
  H     -3.37434027      2.15221809      0.46631376
  O     -4.46570818     -2.63373670     -1.81561213
  H     -3.35362991     -2.15895911      1.28260990
  H     -3.54307646      3.69671406      0.42815717
  O     -3.02010579     -0.78819418     -3.14680309
  H     -3.46985143     -2.38707237     -0.26821187
  H      2.06703051      0.75226264      1.09912129
  O     -1.25769100      3.14244592     -1.61293538
  H     -0.94065453      1.43236522     -2.11841888
  H      1.16932010     -0.37305168      0.56589441
  O     -0.68046562     -0.47154413      0.35161981
  H      0.29100485      0.52759648     -2.36483039
  H      0.59928709      2.18577280      2.10471541
  O      2.14876068      0.76738253     -2.04691427
  H     -5.74142228      1.27633597     -2.50775028
  H      1.85670749      2.85073282      2.70640585
  O     -6.20213550     -0.50443072      1.71102116
  H     -4.47937946      1.05328112     -1.66354081
  H     -7.23187325      1.79670010     -1.02816217
  O     -4.13505314     -1.95195174      2.95848282
  H     -4.53855267     -3.43270893     -2.33118961
  H     -8.30215136      1.49732099     -2.10386503
  O     -1.10220928      1.60107307      2.14937898
  H     -3.92978585     -2.01046132     -2.33999200
  H     -4.08739732      1.20310356      3.33644109
  O     -2.92509795      2.99161232      0.65162702
  H     -3.63043605     -0.03783256     -3.15785421
  H     -2.56429760      0.95282036      3.18466076
  O      2.07917478     -0.04269502      0.55186645
  H     -2.15319843     -0.42368640     -2.92838017
  H     -7.08733591     -0.59210056     -1.21073233
  O      1.52555372      2.41697710      1.92416258
  H     -1.77784979      3.11957602     -0.79884381
  H     -6.08872322     -1.78646426     -1.19702282
  O     -7.46316140      1.19957974     -1.76257661
  H     -0.34099149      3.32977294     -1.36305300
  H     -4.86620763      0.32133906      0.55144230
  O     -3.37962003      0.58308565      3.54562632
  H     -1.34970686     -1.16563885      0.41385200
  H     -3.51445183     -0.24054233      0.09547510
  O     -6.85650737     -1.40930262     -0.75067249
  H     -0.70418913     -0.13902868     -0.55693690
  H     -4.42381560      4.56597796     -1.31929240
  O     -4.07104539      0.54584098      0.05429283
  H      2.22524776      0.41398677     -1.14264753
  H     -4.80012212      5.78845675     -0.44659356
  O     -4.76426229      4.83613368     -0.44652774
  H      2.93401566      0.49903524     -2.51593051
  H      1.73749656      2.51986538     -1.30684854
  O      1.36979990      3.27383093     -0.82927078
  H     -5.61894792     -1.14072998      2.14272627
  H      1.47879144      3.07196101      0.10796601
          69
 Energy    -249.25657370665976     
  O     15.16270302     12.83481578    -16.24889744
  H     14.83142055     13.72844509    -16.28003434
  H     15.91236794      5.17595210    -15.64828158
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  H     14.58159950     12.34414809    -15.64116393
  H     19.53621727      5.34427323    -12.66770806
  O     18.12934642      8.41456831    -11.73337525
  H     14.69823196      6.63965226    -13.85718185
  H     18.13894371      4.85795017    -12.26504120
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  H     17.33520575     10.72978112    -18.26946654
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  H     18.73796029     11.06627784    -18.83166658
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  H     18.94848886      7.99863660    -12.03143792
  H     17.32756538      8.04008645    -15.95461094
  O     13.57569192      7.94345347    -13.23079481
  H     17.70594478      7.44626553    -17.96825878
  H     16.33499600      7.43518289    -14.89724403
  O     17.37338487     10.24702022    -13.65001216
  H     18.42435383      8.81336558    -17.72623021
  H     13.94994779     11.11540727    -13.75528116
  O     18.81987710      3.95754556    -15.35248331
  H     16.02829348      6.02199076    -19.34781690
  H     13.09110414     10.63644556    -14.94581244
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  H     16.19599418      5.87012637    -17.81514082
  H     13.15588374      8.76714183    -16.25658610
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  H     16.85809087      8.93437489    -10.52235309
  H     11.61864678      8.82401958    -16.09366042
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  H     16.36781513      9.53621011     -9.18801917
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  H     13.03992429      8.20562467    -13.98835927
  H     21.26663524      7.25657301    -12.75109389
  O     18.29069886     10.59729030    -18.13166678
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  H     15.91398196      6.09969406    -11.21803790
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  H     17.64560346     10.97729716    -14.22057428
  H     17.21927612      6.77139922    -11.70763524
  O     13.57254562     11.39624215    -14.59930203
  H     17.11174226      9.52760425    -14.24764314
  H     15.38352107     11.63669508    -17.66337648
  O     12.43993531      8.95981965    -15.62795893
  H     19.26117164      3.12626750    -15.50659479
  H     15.17586661     10.14019386    -17.99185004
  O     20.33415216      7.10351064    -12.88046333
  H     18.82446756      4.09864998    -14.38865560
  H     15.77132995     10.36072763    -12.87402990
  O     16.74684421      5.92824549    -11.68018434
  H     13.92261182      7.20080101    -11.43904044
  H     15.15710421     10.06093612    -11.49507006
  O     15.61278117     10.94470575    -18.29801946
  H     14.83314424      7.72367403    -10.30933810
  H     18.12939656     11.59290146    -16.42802528
  O     14.92619275     10.26897127    -12.40705808
  H     19.52490200      7.05981364    -16.24463449
  H     16.97365351     12.41149892    -15.82610479
  O     17.85851743     12.07249157    -15.63700751
  H     19.60456908      5.67804703    -15.56475943
  H     14.98479796      7.82214115    -17.77958693
  O     14.65271714      8.51223130    -17.19268526
  H     17.19927043      4.48713937    -16.13660643
  H     15.29386336      8.55239747    -16.46596548
          69
 Energy    -249.25610560630975     
  O     19.76672182     10.57367234    -10.13183965
  H     20.71428273     10.73456542    -10.03138805
  H     23.20248518     11.31424482     -9.70912412
  O     19.22968967      4.29972967    -11.55912910
  H     19.41492822     10.28757746     -9.27973215
  H     19.19691883      7.87657208    -12.96062229
  O     20.63479416      5.58384652    -13.73125168
  H     18.44893648      4.83833274    -11.35226691
  H     19.29471815      8.71514392    -14.24679892
  O     22.82995822      8.26059500     -8.98830484
  H     18.91139580      3.41321673    -11.71674665
  H     20.60001351      4.58999014    -10.29159407
  O     16.95408950      5.79969579    -11.08643167
  H     20.02808867      6.28284885    -14.01141192
  H     20.86528153      5.52782097     -9.09806302
  O     22.35436972      7.29454775    -12.44691050
  H     20.17523984      5.10281078    -13.03204072
  H     14.58398435      6.86192430    -13.12111295
  O     14.05045532      7.58343332     -9.16689319
  H     21.96305887      7.92726597     -8.72241050
  H     13.41087205      7.52986766    -12.38436133
  O     23.63946090      5.90282978    -10.36602470
  H     23.27311906      7.51375592     -9.40790237
  H     16.31919207      9.22335582    -10.81619308
  O     19.89253129      7.99503548    -11.27147510
  H     16.79642916      6.32944024    -11.88222625
  H     16.69736166     10.27891392    -11.90383626
  O     18.54646420      9.37865164     -7.86318654
  H     16.09688066      5.43437993    -10.83162369
  H     16.20999224      8.26684776    -12.76573230
  O     18.14452096     11.17386746    -12.32039611
  H     22.89453049      6.81730723    -11.80668489
  H     17.22322445      7.54297019    -13.67971728
  O     22.55455350     10.71937571    -10.07656163
  H     21.87774937      6.63722256    -12.97649414
  H     22.38756040      9.07948544    -12.81674227
  O     18.98408898      7.86730449    -13.90700960
  H     14.02509365      6.68702505     -9.52559580
  H     22.38892627     10.36668015    -11.97176139
  O     21.26406684      4.82794920     -9.63310101
  H     13.64949977      8.14803237     -9.84006647
  H     15.79137685      7.94347231     -9.17370443
  O     13.71460076      6.68318990    -12.73543803
  H     24.35583309      5.27745854    -10.30551030
  H     17.00384798      7.29725041     -9.89323003
  O     15.99879373      9.67602620    -11.60729943
  H     22.82829021      5.43114427    -10.10189233
  H     12.76428673      9.96832976    -11.56658007
  O     16.35996482      7.44558615    -13.25586417
  H     20.78295455      7.80460222    -11.60291449
  H     14.23226435      9.48566121    -11.53189993
  O     22.21426037     10.03148252    -12.85771488
  H     19.86482322      8.92427676    -11.00539265
  H     20.82155552     10.34424139    -13.85090213
  O     16.72655615      8.07541073     -9.39402114
  H     18.14859176      9.69262525     -7.05567426
  H     20.25044900     10.94413327    -15.15627450
  O     13.30867212      9.19795093    -11.42701824
  H     17.84401521      8.93198985     -8.36958829
  H     19.68641795      7.86466698     -8.14840373
  O     20.00925125     10.44767522    -14.37895945
  H     18.71723976     11.00081548    -13.07627509
  H     20.04587470      7.38660935     -9.56732353
  O     20.21649032      7.21851877     -8.62663261
  H     18.71220073     11.11304556    -11.53921816
  H     13.99555297      5.59228581    -11.40433160
  O     14.25996964      5.10376874    -10.60291802
  H     22.71745357      9.84482373     -9.67901882
  H     13.72040220      4.31886820    -10.56671300
          69
 Energy    -249.25610300661828     
  O     18.31548740      7.12211917     -9.78848334
  H     17.89246357      6.28937542    -10.04069571
  H     16.36819198      7.84925918    -14.92319205
  O     15.49759598     10.79351900    -14.34979497
  H     17.77386687      7.49724086     -9.08501844
  H     13.49489886      4.17384999    -14.09715718
  O     12.99544479      3.41774389    -15.73810719
  H     15.61941551     11.66988623    -14.70486548
  H     14.76666166      4.63356455    -13.33436610
  O     13.14135639      9.73646633    -13.12602775
  H     16.12535596     10.70174447    -13.61001854
  H     15.54288398      8.08624401    -11.05830133
  O     15.59088033      9.67587542    -10.08923449
  H     12.73402654      4.24267571    -16.17786126
  H     15.80908047      6.53965024    -11.12205914
  O     17.15377653     10.48804458    -12.23777026
  H     12.34941961      2.75917384    -15.98094824
  H     20.13239838      8.53332839    -11.95499332
  O     12.73708018      4.45285814    -10.80173899
  H     13.89758365     10.16329449    -13.54694660
  H     18.91577816      8.01653991    -11.15105885
  O     15.89034046      3.73577561    -15.97302646
  H     13.06795180      8.86313550    -13.53111371
  H     13.66315834      7.15709919    -10.84477712
  O     16.45498016      8.20054362     -7.87451801
  H     15.85231768      9.29414130     -9.24139957
  H     12.63807494      8.13765550    -10.25296526
  O     12.42618806      5.95465945    -16.74670375
  H     14.64284786      9.86020277    -10.07072534
  H     14.61599301      5.44164056     -8.31097245
  O     15.31227290      6.11599988    -17.33802452
  H     16.63543974     10.32509769    -11.43713107
  H     13.83852694      6.69341861     -8.75646661
  O     15.71169861      8.24145928    -15.51872645
  H     17.91623452      9.90089791    -12.18150734
  H     13.49487991      6.44630081    -13.96162988
  O     13.80273445      4.70864424    -13.35493757
  H     13.05122466      4.47120161    -11.71703793
  H     14.16208029      7.55541903    -14.83589967
  O     15.35307168      7.27715119    -11.55293410
  H     12.53874057      5.37215103    -10.58013898
  H     12.16919596     10.70373125    -10.29031808
  O     19.18053371      8.48447858    -11.96380589
  H     14.98803962      3.40047573    -15.96080271
  H     12.88912631      9.95567694    -11.44020848
  O     12.87313368      7.20403080    -10.28384957
  H     15.84324915      4.54583364    -16.50238853
  H     13.98821467      3.90375595     -9.74107803
  O     14.48917831      6.37715105     -8.11543526
  H     16.62986389      8.38320520     -6.95546671
  H     14.61611068      2.86617299     -8.77719207
  O     13.31578474      7.23918302    -14.48551411
  H     15.75855815      7.51907097     -7.89967576
  H     18.04041978      7.58236988    -13.13197964
  O     12.80984970     10.02159728    -10.46961113
  H     11.75860397      6.44135610    -17.22301323
  H     16.53921297      7.29050252    -12.90998913
  O     14.75073958      3.72868542     -9.15916660
  H     12.64018822      6.47525243    -15.95337060
  H     16.76108794      4.62748992    -11.58168582
  O     17.26771389      7.17611236    -13.54113990
  H     15.53453215      6.91489053    -16.84115344
  H     16.12896563      4.45851183    -10.16019631
  O     16.74165465      4.98911779    -10.68464267
  H     14.35029342      6.07486418    -17.33661761
  H     16.96252404      5.37008501    -13.56285934
  O     16.60651536      4.47937797    -13.43434457
  H     15.64937691      9.17168187    -15.27033550
  H     16.47833841      4.10667702    -14.31990912
          69
 Energy    -249.25594457682553     
  O     14.52248220      9.51905142    -10.44397286
  H     14.25370453     10.07721175    -11.18766342
  H     18.50531923      3.25275665    -11.99149753
  O     12.74375499     10.67195374    -16.26942504
  H     13.76427551      8.98621113    -10.17490033
  H     12.31729114      7.36689175    -10.73394803
  O     16.74935150     11.02142693    -13.50401861
  H     12.71165000      9.92661527    -15.65447746
  H     11.63970426      7.78923897     -9.40907669
  O     13.68200993      4.71681311    -13.45878635
  H     12.70996526     11.46614619    -15.72181254
  H     14.06979862     12.97190379    -14.85946317
  O     17.09659659      7.10005563     -8.20757400
  H     17.43982208     10.92317651    -12.84032349
  H     12.82316569     13.79858608    -14.45855259
  O     15.70502495     12.77140032    -15.45096978
  H     16.83634928     10.30219902    -14.15063082
  H     13.45801497      9.45212661    -13.71861622
  O     15.88849045      7.57809499    -11.95189280
  H     14.25893958      4.67453783    -12.67641027
  H     13.81854811      8.14363724    -14.47473773
  O     14.09855556     10.88695695    -12.78912646
  H     13.42263083      3.82210231    -13.66254185
  H     15.20290444     10.68687822    -18.31799805
  O     18.63840654      7.89335119    -12.27883198
  H     17.22644066      6.97540382     -7.27055427
  H     14.31655086     10.64651253    -17.05055536
  O     18.64002625     10.57716318    -11.44900941
  H     16.21051757      6.75477307     -8.41198851
  H     12.29192004      7.56805289    -13.03169745
  O     17.96748187      5.74545091    -13.93153895
  H     15.66134224     12.16076645    -16.19750676
  H     12.51310137      6.07555288    -12.73696759
  O     17.98302189      4.03059431    -11.81579273
  H     16.20173391     12.30643628    -14.76337518
  H     14.83173764      5.50992388     -9.64198736
  O     12.48925785      7.68341451     -9.82886983
  H     16.83694969      7.76135250    -11.99370559
  H     13.88787887      6.60820573     -9.11521573
  O     13.16196755     12.90934370    -14.50934236
  H     15.46511054      8.25165944    -11.40817734
  H     16.24739287      4.48267133    -11.42212031
  O     13.08804618      8.73208975    -14.25114132
  H     15.04295314     10.93853624    -13.00671232
  H     15.56925291      5.87540699    -11.48666320
  O     15.23724037     10.67784815    -17.36533221
  H     13.66880011     11.62478149    -13.23738141
  H     18.64698453      5.38292408    -10.56416622
  O     12.11201610      6.87597779    -12.38102978
  H     18.88145962      7.36668829    -11.49970734
  H     18.32965278      6.43372579     -9.46506079
  O     14.66158961      6.08166835     -8.88178727
  H     18.80468424      8.81947867    -12.07306576
  H     15.46774737      7.16672798    -13.60652148
  O     15.39649171      4.93135289    -11.33649664
  H     19.32425555     11.15826911    -11.12862388
  H     14.69816209      6.06172994    -14.36708241
  O     18.95471889      6.20514889    -10.16511967
  H     18.11407434     10.30370327    -10.67489325
  H     16.16011009      9.76053207     -9.67042910
  O     15.24721274      6.84431202    -14.49817086
  H     18.31961917      6.55158898    -13.52405039
  H     17.18039627      8.84953115     -8.96677780
  O     17.09246221      9.69631922     -9.41932444
  H     17.13541800      6.00089830    -14.33928472
  H     16.20910881      8.29208202    -15.32598220
  O     16.66670022      9.12742506    -15.46856050
  H     18.01988859      4.58160964    -12.61897379
  H     16.20986660      9.57402508    -16.19401870
          69
 Energy    -249.25586349646900     
  O     14.29143841      9.84689392    -10.74369596
  H     14.18915884     10.37458535    -11.54715028
  H     17.82508176      5.37849580    -11.10369579
  O     13.49529966     10.07286830    -16.72679729
  H     14.98104238     10.24239071    -10.19654714
  H     13.06769607      8.65824334    -10.13054117
  O     16.82062923     10.60915383    -13.77293687
  H     13.46639976     10.97389174    -16.38140241
  H     12.14330719      7.57975406    -10.72585668
  O     13.18644521      5.13138875    -13.10370719
  H     13.17363463      9.50657299    -16.01404052
  H     19.96428131      7.24064730    -14.36061339
  O     16.86854443      7.95332545     -8.72162757
  H     17.32798399     10.56905833    -12.95003394
  H     18.48189960      7.61730778    -14.57749202
  O     16.44748818     12.11009546    -16.11382786
  H     15.88694830     10.69169516    -13.53975247
  H     14.79411367     12.56535580    -15.73557544
  O     15.43471440      7.52503910    -11.85676933
  H     13.68560376      4.93207245    -12.29693131
  H     13.58266826     13.52862089    -15.67503438
  O     14.06925073     10.88893228    -13.28546872
  H     13.82843863      5.45088331    -13.74577743
  H     13.70291437      7.92349826    -14.49777254
  O     18.12602671      7.38765860    -11.32835204
  H     16.08854269      7.39061734     -8.63472191
  H     12.36551906      8.16689440    -13.75868606
  O     18.11541968     10.27153653    -11.39131399
  H     17.39572128      7.60688967     -9.44952568
  H     16.00422042      9.58228700    -18.62522942
  O     17.34455455      4.83380381    -14.04818529
  H     16.43640489     11.39397547    -16.75995495
  H     15.09182460      9.78781663    -17.39291087
  O     17.38156599      4.54175504    -11.27437113
  H     16.75119353     11.70891514    -15.28686360
  H     10.55354311      6.84602916    -12.56683475
  O     12.58616506      7.84662793     -9.91270199
  H     15.09048663      6.72309935    -11.43907070
  H     12.01302471      6.34715321    -12.69173396
  O     19.08808041      7.12309332    -14.00101707
  H     15.01798183      8.29310726    -11.44833900
  H     13.70154712      6.96504053     -8.90934979
  O     13.85641894     12.63669379    -15.48062938
  H     13.90848805     11.59477356    -13.92333197
  H     14.06103894      6.23995318     -7.58885338
  O     12.98916913      8.56423554    -14.37894279
  H     13.66650510     10.08697708    -13.65036917
  H     15.65750561      4.72260191    -10.89950918
  O     16.01938069      9.71098766    -17.68067704
  H     17.18119978      7.45706739    -11.54606260
  H     14.61112871      5.32539285     -9.90333149
  O     11.46243089      7.12211210    -12.47732366
  H     18.58326045      7.27808391    -12.17210868
  H     15.84074066      7.31584933    -14.94696612
  O     14.40753219      6.47965368     -8.44444768
  H     17.61819816     10.52571835    -10.60446981
  H     15.28642920      7.05154179    -13.52875069
  O     14.73864096      5.02109791    -10.80938084
  H     18.27536379      9.32448781    -11.30295567
  H     16.60735098      9.66878970     -8.87158272
  O     15.19060529      6.79095122    -14.46109481
  H     16.54501100      5.31105577    -14.29403363
  H     16.57084975     11.11495716     -8.31568943
  O     16.44039550     10.59996777     -9.10706708
  H     18.05191406      5.48852781    -14.10490337
  H     16.88408738      8.81505299    -16.31016188
  O     17.17339842      8.48606948    -15.45043835
  H     17.37810616      4.45699479    -12.24004379
  H     17.06856376      9.22187762    -14.82545611
          69
 Energy    -249.25586053787566     
  O     12.24882842     10.56224792    -14.10493834
  H     12.64628049      9.98064547    -14.76724778
  H     15.01652515      5.74913135    -15.67859626
  O     16.50967343      6.77377450    -13.32828834
  H     12.72667206     11.39785297    -14.17196722
  H     19.62458929      8.26547400    -12.73035115
  O     17.43839599     10.35448267    -10.88190483
  H     16.46309558      6.22435767    -14.12425608
  H     21.03519919      8.18526391    -13.35687010
  O     18.53411961     12.15264029    -15.25430094
  H     16.33439555      7.67954605    -13.62974697
  H     15.65683598     11.50730584    -16.73516871
  O     13.16862869      6.18865183    -14.95137054
  H     16.67242830     10.69412864    -11.36906623
  H     16.73888710     12.20935356    -15.86441512
  O     13.84343661      8.88769413     -9.16099157
  H     17.14399492     10.20963756     -9.97451232
  H     16.86403319      9.39055502    -14.74098188
  O     13.95799160      6.63322135    -12.32574056
  H     19.14099007     12.83160156    -15.53864642
  H     15.87599847      9.99235655    -13.66910710
  O     15.27023202     11.12110324    -12.35479146
  H     18.76202685     11.94565073    -14.33010979
  H     16.82104113      7.83964924     -8.84291089
  O     16.89811813      7.81114672    -17.30224082
  H     12.43394726      5.58542045    -15.03324980
  H     17.52282702      7.09169781     -9.98885653
  O     14.36217128      6.09184893     -9.59954653
  H     13.34752896      6.27933667    -14.00095261
  H     18.69797115     11.11064948    -12.04114296
  O     18.51397620      9.36217094    -15.56424733
  H     13.87882817      7.92424161     -9.20174784
  H     19.75847063     10.48417556    -12.95871587
  O     15.97233325      5.66123554    -15.75183878
  H     13.51510757      9.16929147    -10.02572818
  H     17.71671716      7.34607374    -12.17143220
  O     20.20817935      8.65789694    -13.40177783
  H     13.97289817      6.35225925    -11.40262552
  H     17.99287368      8.66771521    -11.36898229
  O     15.80881884     12.23419798    -16.11935618
  H     14.88229290      6.63338171    -12.61950589
  H     16.31293381     10.04209664     -7.53469528
  O     16.02140427      9.26532975    -14.28608498
  H     14.87594031     11.82345329    -12.88606359
  H     15.40807934      9.45052438     -8.64262538
  O     16.91602175      6.96871628     -9.24916849
  H     14.55488506     10.51595161    -12.10535283
  H     14.48566786      9.59074811    -17.15937543
  O     19.28170245     11.30530976    -12.78593431
  H     16.31779370      8.51622828    -17.60885069
  H     14.56858155     10.12665824    -18.60687726
  O     18.34835997      7.79230250    -11.58524736
  H     17.58527555      8.26058063    -16.79297013
  H     12.72462877      9.72879912    -12.58357231
  O     16.33231251      9.64209262     -8.39970972
  H     14.19747500      5.34251394     -9.03344164
  H     13.42751361      8.42285463    -12.08789493
  O     15.07232509     10.02493988    -17.80269357
  H     15.30147805      6.32535805     -9.48802131
  H     14.64090565     12.65538699    -14.91887499
  O     13.21925131      9.33519665    -11.84934843
  H     18.62340433     10.32037077    -15.61687772
  H     13.80439052     13.75949236    -14.22798699
  O     14.02436639     12.83300239    -14.18565033
  H     19.13629341      9.04375975    -14.89780315
  H     14.54439416      8.95480400    -15.23469551
  O     13.73409777      8.81657745    -15.75180403
  H     16.26973623      6.35035451    -16.36567218
  H     13.45574431      7.90741919    -15.58991707
          69
 Ord_Energy   -249.255859    
 O   -4.83568764      -4.50614023       2.90004897    
 H   -4.91416264      -3.93770504       2.13807893    
 H   -3.91076422      -4.44506407       3.19774437    
 O   -7.62690735      -6.75014687       10.7648296    
 H   -8.00799465      -6.23539734       10.0293560    
 H   -8.24043369      -6.68982744       11.4916239    
 O   -3.04877591      -3.04275465       6.47552586    
 H   -3.86798143      -3.45964956       6.16952467    
 H   -3.30880404      -2.44763851       7.18858337    
 O   -3.04816794      -9.76708317       7.63510895    
 H   -3.12631726      -8.94236374       8.13330650    
 H   -3.90682364      -10.2024488       7.69731712    
 O   -7.07258558      -8.83698750       8.88708591    
 H   -7.30031443      -8.30974388       8.10864162    
 H   -7.23622417      -8.26596642       9.64448929    
 O   -3.45960450      -7.18320560       8.61073112    
 H   -4.10836077      -6.74928522       9.18132687    
 H   -2.78621125      -6.51834393       8.41124439    
 O   -1.61880696      -9.45389462       5.37366867    
 H  -0.961249650      -10.1362371       5.27520847    
 H   -2.08819532      -9.62839603       6.21103477    
 O   -4.65736675      -6.92847729       6.14696264    
 H   -4.52747154      -7.66324472       5.53063869    
 H   -4.28410578      -7.14766026       7.01254797    
 O   -5.19032812      -5.55710554       10.0208807    
 H   -5.54774332      -4.92597532       9.37990093    
 H   -5.94916105      -5.98764133       10.4318285    
 O   -7.45758438      -7.20186138       6.65241909    
 H   -7.80818224      -7.58685446       5.83901024    
 H   -6.51387453      -7.07458782       6.49623013    
 O   -6.12346649      -10.4749632       5.03038454    
 H   -6.88254213      -9.90429974       4.86255455    
 H   -6.07329941      -10.6279526       5.98246861    
 O   -2.89780569      -3.89210105       10.1255836    
 H   -2.30893826      -4.33988142       9.50597382    
 H   -3.62901187      -4.50385380       10.2876348    
 O   -6.18367577      -3.61943936       8.21202278    
 H   -5.59611988      -2.88954067       8.44095993    
 H   -6.01843739      -3.82343483       7.28019619    
 O   -4.12484312      -8.84216976       4.22091436    
 H   -4.75943661      -9.53926945       4.45548439    
 H   -3.24189520      -9.15212059       4.44764709    
 O   -4.06339407      -1.81168723       8.82363033    
 H   -3.61102986      -2.48116136       9.36839199    
 H   -3.97489047     -0.978749275       9.27845860    
 O   -1.77411997      -6.64623308       5.44747257    
 H   -1.54004526      -7.57954454       5.36941195    
 H   -2.72660232      -6.63232708       5.60173273    
 O   -5.38598728      -4.33459616       5.64980555    
 H   -5.13047600      -5.25275373       5.82673740    
 H   -5.39802790      -4.25185061       4.68924665    
 O   -5.66831589      -10.8636942       7.81851292    
 H   -5.87596798      -11.6815548       8.26324654    
 H   -6.16897345      -10.1628361       8.27339172    
 O   -1.72346795      -5.13394403       7.80548000    
 H   -1.43939567      -5.68174839       7.06265354    
 H   -2.14935923      -4.36782551       7.39334679    
 O   -8.39173889      -5.34833241       8.56996822    
 H   -8.19879246      -5.94051409       7.82989883    
 H   -7.78939390      -4.60011005       8.46812439    
 O   -8.00076866      -8.40516376       4.20951939    
 H   -7.32411242      -7.93033218       3.69339514    
 H   -8.73973846      -8.55035114       3.62499142    
 O   -2.33576322      -4.28389263       3.98936677    
 H   -2.38764524      -3.69056821       4.74928904    
 H   -1.95891798      -5.10518694       4.33012390    
 O   -5.94763327      -7.16859818       2.92363358    
 H   -5.59544659      -6.27391386       2.86592460    
 H   -5.21078300      -7.73527098       3.19287610    
          69
 Energy    -249.25557875207133     
  O     20.02605125     10.74660942    -11.77763542
  H     20.67319417     11.02476588    -12.43459806
  H     18.11970810     14.83159875    -14.99731327
  O     20.39262842     14.36335806    -12.92029836
  H     19.56595498     11.55390910    -11.50746945
  H     14.75184586     10.78162989    -12.31963091
  O     17.01926645     11.45711802    -17.80589916
  H     20.99967891     13.63071735    -13.07506503
  H     14.40651843     10.25246381    -13.75200308
  O     20.30601560     12.40010513    -16.01716013
  H     19.73250494     14.02401143    -12.29972195
  H     17.97958017     12.62212163    -12.19723308
  O     15.60826296     10.45066364    -10.82308840
  H     17.84492304     11.63644938    -18.27113869
  H     17.76864865     13.08945846    -10.73983615
  O     17.11591962      8.42732403    -14.10563052
  H     16.62392830     12.32339675    -17.62768976
  H     12.43232054     13.05435943    -17.36317608
  O     21.77419193     11.93600976    -13.72547899
  H     19.85080677     13.21245190    -15.74906511
  H     13.58228713     12.12941380    -16.89510591
  O     19.53856235     12.44335898    -18.74376372
  H     20.21268745     12.33895249    -16.97552483
  H     18.75561498      9.57181100    -11.59233798
  O     13.71185320     13.55201890    -14.07287333
  H     15.82644545     11.28105749    -10.38269903
  H     18.29223754      8.28703170    -10.87292511
  O     16.12669262     13.08918388     -9.81163851
  H     16.43751253      9.97953691    -10.97340315
  H     16.08493360     14.16646566    -16.36425731
  O     18.34078109     10.45662087    -15.57539440
  H     17.40326455      8.56327612    -13.19456908
  H     14.91927337     13.77061974    -17.28735641
  O     19.04736490     14.79763442    -15.26055270
  H     17.66353386      9.00715041    -14.65234137
  H     14.36764230     14.31254419    -12.42056554
  O     14.48896905     11.04917618    -13.21483215
  H     22.70538100     11.81821624    -13.89794725
  H     15.76350355     14.92014092    -12.39118792
  O     18.43345148     13.01096740    -11.43219769
  H     21.34484707     12.05081894    -14.58882058
  H     16.71353609     13.56124452    -14.25279507
  O     13.22490957     13.03454325    -16.83360571
  H     19.19596050     13.34317741    -18.58806927
  H     15.38258062     14.29391175    -14.43337382
  O     17.99455269      8.98050885    -11.45695230
  H     19.98119276     12.45756274    -19.58784193
  H     14.07858282      7.95655135    -14.81275811
  O     15.86457327     13.96363960    -17.28417994
  H     13.39601164     13.45509962    -14.97873492
  H     15.47849916      8.58366266    -14.60433816
  O     15.05488138     14.62143928    -11.81506136
  H     13.90404455     12.65384301    -13.75801612
  H     17.55566472     11.40285803    -14.24389179
  O     16.33578101     14.40196914    -14.55978539
  H     15.67580270     13.64213795    -10.47331897
  H     16.22749683     11.60677658    -13.45352707
  O     14.56133347      8.77657037    -14.87167006
  H     15.90024569     13.44652600     -8.95687759
  H     18.77660883     15.00378360    -17.13607674
  O     17.10566589     11.97714747    -13.61280890
  H     19.13364429     11.00279038    -15.63966476
  H     17.51414442     14.68849281    -17.95854377
  O     18.46743199     14.82516697    -18.03475745
  H     17.79828079     10.69961902    -16.33909606
  H     14.46424067      9.93933721    -16.34168227
  O     14.41442512     10.61217541    -17.03150607
  H     19.56447462     14.80194757    -14.43994500
  H     15.30387444     10.70958119    -17.39330599
          69
 Energy    -249.25554066516395     
  O     12.07122292      9.59269968    -10.79667260
  H     11.48998482     10.34526832    -10.94762955
  H     13.81838447      7.97092201    -13.16160123
  O     12.02707742      7.73784326    -12.85456263
  H     12.01643241      8.99245673    -11.55201220
  H     11.97607819      8.97393052     -7.72788196
  O      8.73328670     10.31258771    -12.37666688
  H     11.35055894      8.06150841    -13.46265987
  H     11.92276714      8.71374580     -9.23877630
  O     14.65362854     10.19898072    -10.16954160
  H     11.72146097      6.92184568    -12.43693930
  H     11.86276563     11.08479481     -6.12153193
  O     15.76700106      7.65990191    -10.63860429
  H      8.45845641      9.68263357    -11.69890141
  H     12.56622783     11.31071436     -7.47221954
  O     12.55674191     15.53374673    -11.08942049
  H      9.15599594      9.81609115    -13.08752124
  H     12.91701623      5.99048345    -10.25553721
  O      8.04135903      8.86043415     -9.99797296
  H     13.74542742      9.97196562    -10.42550443
  H     13.09367095      6.97509365     -9.08339497
  O     12.36868748     13.17399350    -12.63581942
  H     15.16720095      9.38712808    -10.24323681
  H     14.89580444     11.43903896    -11.47282585
  O     14.91130044     14.14625194    -10.12976775
  H     16.55793496      7.20479557    -10.36338015
  H     15.03419999     11.67173537    -12.99721897
  O      9.84408439      6.75302535     -9.47296627
  H     15.01317674      7.15312512    -10.28552524
  H     10.90729001      9.87626788    -14.54937713
  O     11.48966623     13.83076387     -9.25471031
  H     12.12687322     15.03301106    -10.37245999
  H      9.90413268      9.02122886    -15.36092727
  O     14.75179424      8.20766389    -13.25330486
  H     12.24999908     16.43342002    -11.01967215
  H      9.78402957     11.47878740    -11.61700687
  O     11.94438188      8.26502879     -8.37776877
  H      8.52861562      9.50548108     -9.45396990
  H     11.08732087     12.36279527    -11.67482814
  O     11.89084060     10.77620307     -7.02438806
  H      7.13459673      8.88708454     -9.70171421
  H      9.78844269     11.25840292     -9.45085821
  O     13.58011437      6.39560414     -9.68606059
  H     13.24159386     12.79833474    -12.44574053
  H     10.24206737     10.75794840     -8.06951334
  O     14.90390416     12.12549898    -12.15556010
  H     12.38684513     14.07428655    -12.28964432
  H     12.07719915     11.91630751    -14.02381757
  O     10.26214251      9.14696419    -14.48621129
  H     14.24907154     14.76606323    -10.45717837
  H     13.05104450     10.90143664    -14.64125900
  O     10.45986714     11.92486518    -11.08235490
  H     15.09104794     13.55153983    -10.87014428
  H     15.52084135     10.51454724    -15.24451511
  O      9.50229121     10.74217752     -8.68652033
  H      9.16412797      7.40160931     -9.69225893
  H     14.90456251      9.70057913    -14.07959750
  O     12.11320134     11.11517548    -14.56065398
  H     10.48742204      7.21962674     -8.92219667
  H     10.74048544      5.90626388    -10.66826225
  O     14.91627576     10.57532864    -14.51013825
  H     12.22735661     13.29316282     -8.93821904
  H     11.08939091      4.60394169    -11.43100885
  O     11.34659369      5.51540520    -11.32464429
  H     10.97002713     13.23869005     -9.81241929
  H     14.21144913     12.98253060     -8.88987430
  O     13.74779260     12.22685009     -8.49953068
  H     15.17201798      7.98917289    -12.41374417
  H     14.10496563     11.45765953     -8.96597558
          69
 Energy    -249.25547026317929     
  O     -2.72944698     11.71261828      8.68412050
  H     -3.58801129     12.14177416      8.58684136
  H     -1.64584933     12.39896643      7.48183638
  O     -4.05260966      8.97934372      3.75187857
  H     -2.86258695     10.78250814      8.45921582
  H     -5.19659239     13.88714640      6.58099212
  O     -2.37175742     14.73893100      5.22776382
  H     -3.57678004      9.66057203      4.25057245
  H     -5.25849268     13.56778931      5.06807455
  O     -6.61702044      9.90391702      4.50976423
  H     -4.98069320      9.06904650      3.99409182
  H      0.41434014     11.17127549      4.70401965
  O     -0.96650011      8.75091244      6.14172025
  H     -3.30920964     14.59585824      5.41911592
  H      1.69457030     11.00643960      5.55746508
  O     -3.49363873     10.19605669      1.22176767
  H     -1.87343894     14.12689781      5.78776803
  H     -4.79747164      9.79435801      7.24034991
  O     -4.14399785     12.96175716      1.50697810
  H     -6.24324295     10.76370890      4.24782291
  H     -6.00865277     10.05169538      6.29856779
  O     -3.14221652      9.05020258      7.72372557
  H     -7.49408337      9.85650872      4.13888436
  H     -1.75126852     14.64475655      2.12273544
  O     -1.48640913      7.85268004      3.56025957
  H     -1.07642312      8.35955105      5.26279137
  H     -1.94945142     14.07550259      3.54781083
  O     -0.88484089      9.51690467      1.24217297
  H     -0.32544287      9.46180189      6.03976835
  H     -2.37560874     16.40907894      4.60700687
  O     -0.44636345     11.45666077      3.18019643
  H     -3.79829306     11.11142667      1.21840311
  H     -2.11760079     17.93097574      4.69241196
  O     -1.23485952     12.72468155      6.66647829
  H     -3.82275145      9.78493345      2.03166333
  H     -3.18773782     16.11888740      1.22847502
  O     -5.08686785     14.27712709      5.70492562
  H     -4.54193678     13.80004208      1.24066358
  H     -2.30495923     16.75153758      2.31876396
  O      0.74232507     11.02013308      5.60765757
  H     -3.27827849     13.18737506      1.87845647
  H     -5.50940770     11.91236387      7.74862229
  O     -5.61127488     10.30546971      7.13862306
  H     -3.14324853      8.28383117      8.29232327
  H     -5.95717169     12.94265223      8.81355457
  O     -1.72742819     13.82685725      2.63979620
  H     -2.37566551      8.94619024      7.13303348
  H     -5.72821272     16.05067164      0.64470659
  O     -2.54636731     17.26010349      4.16756015
  H     -1.16595757      8.28949785      2.76390808
  H     -5.20877072     15.85489633      2.08856619
  O     -2.26880902     16.26189219      1.48660791
  H     -2.43883379      8.02053406      3.57733841
  H     -4.39761007     16.81298448      3.93465797
  O     -5.34379708     12.80888382      8.09517573
  H     -0.56544510      9.23883778      0.38849517
  H     -5.32819299     15.71963286      4.49415649
  O     -5.07424154     15.58782965      1.16155787
  H     -1.82600871      9.74608118      1.13134853
  H     -2.05157737     11.23521729      4.13832651
  O     -5.22896156     16.35022394      3.76966768
  H     -0.77247709     12.31280435      2.86665664
  H     -2.41664052     11.69260182      5.55382089
  O     -2.78101448     11.26390223      4.77157719
  H     -0.50631796     10.81862748      2.45746030
  H     -5.01394072     12.48503055      3.01894820
  O     -5.22094905     12.18465327      3.91354757
  H     -0.46662303     12.17820269      6.46421251
  H     -4.38010454     11.86730732      4.28102108
          69
 Energy    -249.25539557406262     
  O     -4.34872326      1.11990299      3.99216887
  H     -5.16372894      1.05531291      4.48148719
  H      1.45798449      1.00110246      4.43899977
  O     -2.31595522     -2.86040713     -0.61102918
  H     -3.97836532      2.00383778      4.17305967
  H     -1.40521254      4.29050242     -0.81733007
  O      0.40761836      4.34276309     -1.42129662
  H     -1.38763721     -3.09013819     -0.74187649
  H     -2.57918150      3.29459459     -0.87393839
  O     -2.75566896      1.44196791     -1.30678132
  H     -2.37932250     -2.51900881      0.29053483
  H     -1.01706174     -1.00955777     -2.83921989
  O      0.98297090     -0.74311769      4.13138368
  H      0.93669818      4.43989901     -0.60871785
  H      0.12761145     -0.07639973     -2.41556454
  O      1.75896570      4.56414150      0.89390230
  H      0.73596342      4.98695555     -2.04248353
  H     -2.77542837      4.71414421      1.07440355
  O     -0.87718609      1.92483523      2.17797463
  H     -3.07970874      1.28097345     -0.40730430
  H     -3.49329240      5.85287836      1.83132729
  O     -1.71290407      0.03960264      4.15899840
  H     -2.91663790      0.63361866     -1.80864690
  H     -2.48382357      1.45340525      1.57964884
  O     -2.93176961     -1.07619329     -2.56928755
  H      0.04479558     -0.62363364      4.33482882
  H     -3.87353393      1.07052515      2.13676364
  O     -2.21119285     -1.45508302      1.83288937
  H      1.00635702     -1.19449085      3.28041345
  H     -2.24673090      3.49649865      4.70710133
  O      0.55616192     -1.72379990      1.40852608
  H      1.07503565      4.71907554      1.56201423
  H     -3.12466430      4.03409145      3.54501144
  O      1.58589486      1.95796522      4.51024518
  H      2.35186920      3.90871619      1.27881400
  H      0.24183336      2.51432830     -1.62147199
  O     -2.30365826      4.13984627     -0.49902908
  H     -0.67742581      2.85190452      2.34480116
  H     -0.93205272      1.52190035     -1.43466456
  O     -0.06017376     -0.97492097     -2.71756687
  H     -0.10391505      1.55044277      1.73770142
  H      0.28753798      2.97356137      5.03940434
  O     -2.95145694      5.07866761      1.96042627
  H     -2.63159070      0.29650531      4.29875970
  H     -0.21159585      3.90596727      6.16416554
  O     -3.34044032      1.06542121      1.33362806
  H     -1.34021203      0.72511623      3.58336730
  H      1.11613736     -0.08475514      0.97518354
  O     -3.14219989      3.49657365      4.34683111
  H     -3.56199384     -1.45368495     -3.17719728
  H      0.91565965      1.06443897     -0.07251484
  O      0.02795938      1.57570547     -1.54940605
  H     -2.79211642     -1.73485732     -1.86547942
  H      1.04047676     -3.70792144     -1.51671121
  O     -0.41255718      3.60776010      5.28107065
  H     -2.65457321     -0.67432751      1.47423451
  H      0.39626955     -2.31063645     -1.68669829
  O      1.30403808      0.84466486      0.78545425
  H     -2.05574344     -1.21963567      2.75620199
  H      2.53118784      1.78268745      1.61199723
  O      0.52040527     -3.04970944     -1.06408144
  H     -0.40029092     -1.64605772      1.53269130
  H      4.00035396      2.02821554      2.02835559
  O      3.11826163      2.38331465      2.10474498
  H      0.67749675     -2.26399606      0.61746000
  H     -1.18864359      4.98455648      2.49426873
  O     -0.29725572      4.69221809      2.72449757
  H      2.16450064      2.20142932      3.77961980
  H     -0.28689277      4.48507675      3.66837865
          69
 Energy    -249.25537683187844     
  O     -3.25853110      5.08657449      2.83970703
  H     -3.20423927      6.04513752      2.73821859
  H     -0.35900132      8.16793575     -2.54922215
  O      2.75625240      9.43721512      2.18017302
  H     -3.37138482      4.70617206      1.95911476
  H     -0.27009342      3.13467444      2.82133085
  O      0.06769010      8.75755407     -0.79196710
  H      3.69455242      9.54559642      2.04858236
  H      0.69927963      3.21970634      1.61850013
  O      0.83909873      9.02712802      4.25207512
  H      2.50117390      8.62230930      1.71657791
  H     -0.78196075      4.55257553     -3.54058621
  O     -1.35532722     10.30536289      3.26330353
  H     -0.81793404      8.44367635     -0.56087268
  H     -0.24790442      6.01681665     -3.31974370
  O      1.65897866      7.21096845      0.93749660
  H      0.20862014      9.56638254     -0.27869643
  H     -2.25408668      2.70263843     -4.61190695
  O     -2.38206255      7.58195630     -0.20217795
  H      1.60145465      9.24377438      3.70080439
  H     -1.60471771      2.65243994     -3.20657717
  O     -2.53707536      7.83958618      2.49640624
  H      0.58673312      8.12874171      3.99676184
  H      1.23216718      4.08553700     -2.51625454
  O     -0.92308632      5.26649670     -0.46067703
  H     -1.67058547     11.00655835      3.82798944
  H      2.54268407      3.27125514     -2.63633976
  O     -3.17276902      3.84840985      0.26454325
  H     -0.58583318      9.90997435      3.71067739
  H     -1.20822357      4.05117572      5.01962399
  O     -1.74747237      1.40292557      0.51512784
  H      1.14707775      7.67136815      0.25710471
  H     -1.87934550      4.49104654      3.69399566
  O     -0.73658234      7.69469696     -3.30302570
  H      1.05372614      7.00497565      1.66835686
  H     -3.83550153      4.43544454     -1.42141406
  O      0.06794393      2.63963188      2.06470056
  H     -2.91010092      7.63951761     -1.00744130
  H     -3.35668322      4.21438720     -2.87209678
  O     -0.07326578      5.07847883     -3.14975946
  H     -1.88038682      6.75327576     -0.25676574
  H      1.83000806      5.37483987      0.63301955
  O     -2.07881036      3.22704399     -3.83532522
  H     -2.28528459      8.73011992      2.76942164
  H      1.81681321      4.12284178     -0.31353371
  O      1.81650631      3.46290866     -2.04832812
  H     -2.57536489      7.83978865      1.52710954
  H     -3.73136804      6.48950063     -2.61330997
  O     -1.02962529      4.24214963      4.10296391
  H     -0.69899755      5.21575922     -1.39877973
  H     -4.33078302      7.81652607     -3.13893816
  O     -3.89791798      4.78988657     -2.31748552
  H     -0.13707724      4.99628216      0.02746254
  H     -0.93153580      7.04929321      2.82866344
  O      1.57798711      4.44414084      0.56640131
  H     -2.37318634      4.34145194      0.02215675
  H     -0.24202484      5.80859251      3.44435809
  O     -3.56138131      7.44351163     -2.71776323
  H     -2.87920680      2.93539339      0.36919194
  H     -0.97863387      1.64502641     -1.16554649
  O     -0.06748899      6.66056675      3.02879614
  H     -1.08096333      1.80930704      1.09956104
  H      0.25128498      2.22204078     -1.91759582
  O     -0.61832492      1.82733151     -2.04302014
  H     -1.95674305      0.55040490      0.88681736
  H     -0.21520292     10.70401911      1.72705314
  O      0.45783703     10.77554107      1.03961265
  H     -1.69512615      7.71639574     -3.19185066
  H      1.28417654     10.49077444      1.44900068
          69
 Energy    -249.25526236621488     
  O     -1.01355608      4.95492626      1.36551772
  H     -0.65762357      5.82925234      1.50448704
  H     -3.78713131      1.57470597      0.02086843
  O     -0.51576668      0.08589231      2.26265835
  H     -0.88289823      4.46535751      2.19746391
  H     -5.54025116      3.75123924      1.03610928
  O     -4.38648003     -1.45607322     -1.41581130
  H      0.30801758      0.53169227      2.49127241
  H     -6.62275880      3.41195546      2.10021276
  O     -1.75931968     -1.86897034     -1.04065297
  H     -0.72145966      0.34971375      1.35268590
  H      0.11637871      3.60987467      0.47762850
  O     -4.53060974      0.98275390      1.50499033
  H     -4.86489911     -1.57892540     -0.58373878
  H      0.16676607      2.17520097     -0.10251281
  O     -6.78582934      3.55462298      3.95971999
  H     -4.77628785     -0.68225200     -1.83806135
  H     -3.60433158      2.95424069      3.81518414
  O     -8.13128593     -0.52112327      1.64709702
  H     -2.70791808     -1.73443691     -1.22177675
  H     -3.93717067      3.99268781      2.73489149
  O     -2.66263427      1.32641035      3.49190218
  H     -1.44187657     -2.49608557     -1.68459466
  H     -3.58849443      3.57069159      0.19870309
  O     -5.53856586      0.96778038     -2.38862799
  H     -4.90612134      0.10257152      1.37811285
  H     -2.80426019      4.63119754      0.98487514
  O     -5.61540348     -1.56375193      1.07757419
  H     -5.25681051      1.61805894      1.53146300
  H     -3.92643905      0.17518878      4.46303483
  O     -4.17677492     -2.76487161      3.14772690
  H     -5.81752195      3.66593442      3.96720879
  H     -4.51093178     -1.22603995      4.22967965
  O     -3.47159990      2.01604469     -0.78520582
  H     -7.14426924      4.20948395      4.55209739
  H      0.21906371      2.89284174      3.40179190
  O     -6.32690617      3.21608047      1.20197389
  H     -7.80923630     -0.05683825      2.44279749
  H     -1.29525228      2.74957554      3.65587343
  O      0.71205039      2.87844910      0.27637133
  H     -8.99537749     -0.86299290      1.85806847
  H      1.41106219      2.24454046      1.75216133
  O     -4.11228176      3.75823238      3.65599176
  H     -3.33152181      1.22778917      2.79426486
  H      2.57651344      1.88392611      2.70832823
  O     -3.69100788      4.26833942      0.86186869
  H     -1.89128949      0.83333541      3.18066199
  H     -7.06085757      1.67075712      3.94625324
  O     -4.69109447     -0.37887704      4.65588776
  H     -5.92228511      1.15298452     -3.24128026
  H     -6.28541271      0.34144309      4.14545072
  O     -0.58933175      3.39806737      3.55803642
  H     -6.25371442      1.06392646     -1.73353069
  H     -1.85913407     -2.27270670      0.82573437
  O      1.62763514      1.86657765      2.62467205
  H     -5.23752775     -2.06105175      1.81451536
  H     -1.33193789     -1.57302175      2.08712372
  O     -7.09926230      0.72226020      3.78416354
  H     -6.53572639     -1.35354471      1.28296210
  H     -1.17418858     -0.13246250     -0.71112071
  O     -1.89150261     -2.30217854      1.78925705
  H     -3.33135128     -2.63056865      2.68143551
  H     -1.84613660      1.25800583     -0.61140856
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  H     -7.75230730      0.65005183      0.16499871
  O     -7.42137667      1.29373945     -0.47131571
  H     -4.09743361      1.76862646     -1.47588121
  H     -7.14774383      2.06223129      0.05006125
          69
 Energy    -249.25499529195503     
  O      3.93716624      0.95464666     -0.28494345
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  H     -0.68202550      5.34315925     -1.90090767
  O     -0.95632880      1.83267220     -2.27159767
  H      3.92034392      1.41606151     -1.13132612
  H      0.65352741     -2.86894137     -3.02809117
  O     -0.10474487      0.62160890      0.11151562
  H     -0.94336609      2.77667534     -2.06811764
  H     -0.32885290     -1.96328052     -2.25270094
  O     -1.97122136     -1.73059328     -1.69398249
  H     -1.87322292      1.52916037     -2.28574604
  H      1.59413287     -2.59019934      2.21073508
  O     -3.64101580      1.57728052      0.51842822
  H     -0.41242833      1.03348649     -0.70534905
  H      2.00877156     -1.21087057      2.78639682
  O     -3.48166252      0.69103789     -2.00658673
  H      0.69321559      0.11538596     -0.09341245
  H     -4.04956736     -0.25396854      3.47609890
  O      0.31841004      2.36833322      2.12983649
  H     -1.97219669     -1.78796927     -0.72896209
  H     -2.61592550      0.31271890      3.36280423
  O      4.73974764     -0.40583731      2.07879965
  H     -2.52288964     -0.96804791     -1.90426619
  H     -1.53224485      4.06998722      0.12380178
  O      4.11427171      1.57592952      3.82214184
  H     -3.62304885      1.04890948      1.32274802
  H     -1.13827602      3.41261220      1.45104643
  O      1.57724026      0.30521984      3.73351589
  H     -3.09516255      2.35967432      0.68682224
  H      3.41419229      2.63809791      2.36438790
  O      3.31809912      2.26304471     -2.69186572
  H     -4.32739857      0.80530792     -2.43061156
  H      3.30257211      2.19123700      0.89678901
  O     -0.60620776      4.49405793     -1.47417754
  H     -3.58640845      0.98952932     -1.08342484
  H     -0.59808586     -2.80343174      1.66128647
  O      0.60597168     -2.07675796     -2.49963038
  H      0.10367922      1.76265042      1.40011004
  H     -0.41157195     -4.30291487      1.95124074
  O      2.30519106     -1.93329035      2.21396682
  H      1.21371204      2.68953344      1.96064584
  H     -0.41075362      0.52651147      4.35736906
  O     -3.34731324     -0.08030728      2.85501307
  H      4.05043615     -1.08161414      2.11701164
  H     -0.85591904      1.71232532      3.51731143
  O     -1.90100603      3.69838439      0.93461003
  H      4.65982916      0.01407565      1.21189079
  H      1.13158393     -0.31668247     -3.17193672
  O      2.98590747      2.85545337      1.52821917
  H      4.43704513      0.85721888      3.24767979
  H      0.46624126      1.06835219     -3.09111983
  O      0.04700227     -3.46706224      1.95365377
  H      4.79580089      1.74077629      4.46759253
  H      2.11635028     -1.48232879      0.47395011
  O     -1.19573348      1.02461129      4.10562541
  H      1.14216708      0.93718729      3.14684083
  H      1.63538712     -1.56057266     -1.03678563
  O      1.27809711      0.61559533     -3.36271299
  H      2.42105735      0.71615858      3.96088924
  H      2.36196327      3.81691134     -0.02881472
  O      2.06079467     -1.00990110     -0.36886014
  H      2.61193508      1.65008645     -2.96611964
  H      2.46077110      3.49059570     -1.53511286
  O      1.99261194      4.03770219     -0.89141896
  H      3.80815269      2.48736273     -3.47814699
  H     -2.31952000     -1.10713027      1.69774532
  O     -1.66352819     -1.46388912      1.08726454
  H      0.33431317      4.37644850     -1.24707601
  H     -1.14359008     -0.70867537      0.77291422
          69
 Energy    -249.25469850397045     
  O     10.62469891      9.47510017    -12.66071256
  H     11.40955811      9.78660810    -13.13756651
  H     16.25881383      5.49259677    -17.76715144
  O     14.37209133      6.01143809    -14.80985601
  H     10.01463604     10.20918691    -12.63677198
  H     18.27695398      6.65658468    -14.82023309
  O     16.61259184     11.05485544    -10.81836443
  H     13.61987106      6.56156320    -15.07580715
  H     18.07839613      7.93000002    -15.68028803
  O     14.85669754     10.79220674    -16.05434562
  H     14.91495993      5.87154697    -15.59555080
  H     15.34511265      7.35171400    -14.07087408
  O     12.40419006      7.80048693    -15.50717954
  H     16.29767095     11.86687661    -10.42999490
  H     16.33516670      8.55501998    -14.27894869
  O     16.20680517      6.69027397     -8.93014102
  H     15.83115305     10.57159194    -11.13659118
  H     12.00694851      7.53007988    -10.33882012
  O     13.80210221      5.25511393    -12.19929749
  H     14.76502427     11.53227697    -16.64960053
  H     10.93850004      8.25649972    -11.19668420
  O     14.58753464      9.49085641    -11.77485677
  H     14.71527087      9.98745655    -16.58723163
  H     20.59135566      7.93935179    -11.80140770
  O     14.38858858      8.47093789    -17.35649689
  H     12.61124537      8.57866258    -14.97341126
  H     19.14879890      7.52730800    -12.17925826
  O     16.47295104      4.89813391    -11.18393703
  H     11.57495399      7.44190809    -15.15980029
  H     10.39336061      4.53825047    -11.59088725
  O     17.36583603      9.63395342    -15.30088083
  H     16.41570175      6.45962584     -8.02887622
  H     10.93700502      5.97810207    -11.42334990
  O     16.01888205      6.10671925    -17.07851949
  H     16.80201703      7.42011271     -9.17773698
  H     18.96770132      9.80205094    -12.57595410
  O     18.20424588      6.97171466    -15.72959669
  H     14.01423417      5.43040290    -13.12693416
  H     17.85534386     10.81437917    -12.25120338
  O     15.85961624      8.03271551    -13.61900368
  H     12.85326664      5.08166176    -12.16041501
  H     17.60044080      5.75203198    -12.32693425
  O     11.07360576      7.51516566    -10.59446010
  H     15.11083527      8.98761461    -12.42243373
  H     17.25330035      7.03470256    -13.09091217
  O     19.68345604      8.22887408    -11.76851753
  H     14.24565200      8.83195658    -11.15649252
  H     17.43543635      9.56599598     -9.96421356
  O     10.97225785      5.18420636    -11.98745602
  H     14.98116803      7.71053084    -17.37061964
  H     18.53368433      8.54377939    -10.30969052
  O     18.44264056     10.51759163    -12.95637229
  H     13.58936117      8.17949956    -16.89496795
  H     14.58583152      7.11296389     -9.70628634
  O     17.98480323      6.42789052    -12.90278616
  H     15.56818467      4.85002399    -11.51755952
  H     13.85497430      6.61566008    -10.97745760
  O     17.82105254      8.72724002     -9.68498352
  H     16.42452330      5.42167492    -10.37468944
  H     13.60872329     10.46721510    -14.63513891
  O     13.84026786      7.29900589    -10.29029191
  H     17.78127419     10.05655223    -14.53106174
  H     13.54328876      9.95811377    -13.17097507
  O     13.01039443     10.11535480    -13.96482815
  H     16.62665374     10.18256268    -15.58555729
  H     10.18926536      7.80293927    -13.58481097
  O     10.21307182      6.98641080    -14.09926638
  H     16.84630817      6.37739595    -16.64250220
  H     10.42062926      6.28452060    -13.47023186
          69
 Energy    -249.25443857988517     
  O     16.09194809     11.32993576    -10.67274628
  H     16.95031712     11.35926711    -11.11005398
  H     17.15614530      6.81528687     -9.62129982
  O     12.35092731     11.12728017    -10.21351216
  H     15.43659059     11.04160998    -11.32501010
  H     18.07401132      7.42097424    -15.88557401
  O     14.18990897      7.62652584     -9.02945542
  H     12.79799249     11.08470396    -11.06739823
  H     19.25853602      7.67511744    -14.93120220
  O     15.93715827      5.40386144     -9.33015081
  H     12.87019310     11.77933195     -9.71719158
  H     19.06212262      8.19888426    -10.81774181
  O     12.57273857      9.62802386     -7.79249868
  H     14.67546907      6.79547895     -9.07472860
  H     19.38471686      9.47481108    -11.62258945
  O     14.25957939     12.69339089     -8.93775689
  H     14.84958327      8.31967050     -8.88016804
  H     13.83921870     10.50607544     -6.94521479
  O     14.65103501     10.17005918    -15.15362052
  H     15.76162890      5.03580495    -10.21390329
  H     14.52013728     11.14028822     -5.70803889
  O     16.81823502      5.95864924    -16.02822066
  H     16.02876934      4.66265451     -8.73719832
  H     13.16706992      8.04668957    -10.43420265
  O     14.08871159     10.46226603    -12.39912546
  H     12.95445058      8.79408777     -8.09340007
  H     12.16492143      9.14609583    -10.83297400
  O     16.38134714      7.83680163    -12.37984648
  H     12.37730558     10.13463911     -8.59289538
  H     16.39619511     10.10291304    -14.53625811
  O     17.61253247      5.57101997    -13.41447043
  H     14.96920125     12.40403911     -9.52647653
  H     17.75931765      9.34158109    -14.68319111
  O     17.59689660      7.64336633     -9.84874590
  H     14.44208203     12.27989147     -8.08567856
  H     20.01503819      7.43839828    -12.76063051
  O     18.66153180      8.11058635    -15.55338124
  H     14.26756136     10.63637407    -15.89116114
  H     21.06341416      6.53850578    -13.45456198
  O     19.65908563      8.56093249    -11.48732397
  H     14.55122186      9.21760329    -15.33597500
  H     15.23365045      6.98223853    -15.78242464
  O     14.63728430     10.97413063     -6.63907139
  H     17.06890196      5.70187849    -15.12510338
  H     14.15822209      7.11802877    -14.68111421
  O     12.62326031      8.37017689    -11.17014263
  H     16.86045711      5.16836485    -16.56122993
  H     14.80110878      5.08968884    -12.24668874
  O     17.23711242      9.91686948    -14.10240763
  H     14.18763303     10.41452158    -13.35671685
  H     16.26683077      4.63979338    -12.40548581
  O     20.14583793      6.79545829    -13.48112378
  H     13.72913206      9.61433848    -12.10620178
  H     18.10457082     10.78321579    -12.87401749
  O     14.47509823      7.50973495    -15.50695853
  H     16.67845400      8.59024469    -12.90389159
  H     19.06418132     11.89706583    -12.38605644
  O     15.48130031      4.52349076    -11.85624238
  H     16.79142948      7.88402830    -11.50721676
  H     14.79073690      7.09414281    -12.69724073
  O     18.54258340     11.15579360    -12.08766525
  H     18.55234329      5.79075095    -13.40687851
  H     13.27910751      7.11719734    -12.38470149
  O     13.94955339      6.65194092    -12.90030494
  H     17.16612477      6.35455660    -13.05647154
  H     15.77236597     10.04030012     -7.79046440
  O     16.14082340      9.58216208     -8.55519160
  H     17.21230613      8.33103163     -9.28575521
  H     16.12777684     10.21199372     -9.29207342
          69
 Energy    -249.25439360335054     
  O      2.53989639      0.04500442      3.71335705
  H      2.08238577      0.85574101      3.96711462
  H     -1.97446176      3.13622728      1.85431938
  O     -0.18944144     -0.41834570     -3.50194605
  H      2.05457286     -0.67763571      4.12953141
  H      0.28843251      2.53352161      2.67392629
  O     -1.60422027     -1.04152043      4.89579582
  H      0.01645578     -1.34283257     -3.31324156
  H      0.25053360      2.21288007      1.13612582
  O     -1.49217652      0.22054903     -1.06602795
  H     -0.78639615     -0.14360215     -2.79327689
  H     -3.99191929      2.19986800     -1.42207247
  O      0.59832210     -2.96329376     -2.44703318
  H     -2.37044691     -1.62503026      4.83081063
  H     -2.85195934      1.34087829     -0.82699252
  O      2.73448041     -1.52059701     -1.57511493
  H     -1.57127398     -0.57632049      4.04355256
  H     -1.15234432      0.88645953      2.20893890
  O     -3.65896537      2.56630112      4.39362156
  H     -1.53121543     -0.70374973     -0.78369703
  H     -2.40259542     -0.01569795      1.94006131
  O     -3.87202128     -2.47357156      4.17872709
  H     -0.66033593      0.58739524     -0.73595731
  H     -0.72816031     -2.52463692      0.42665836
  O      1.06585237      2.41246134      4.35542404
  H      1.39791089     -2.51643440     -2.11541493
  H     -0.70452534     -2.78113478     -1.10064087
  O      2.04965347      0.98481024     -2.83906359
  H      0.88946175     -3.76290908     -2.87717315
  H      1.58893286     -1.30727783      1.27558144
  O     -5.09362843      0.17648200      3.74730287
  H      2.76171964     -1.30888090     -0.63207879
  H      2.60242668     -0.37565802      1.94707765
  O     -2.93678533      3.24488642      1.86429112
  H      2.68480157     -0.67331963     -2.03370177
  H     -1.37070857      0.70569376      5.55806407
  O     -0.28119748      2.48708461      1.89571250
  H     -3.43944303      2.82333056      3.48036606
  H     -2.06608244      2.03076897      5.20330278
  O     -3.60030928      1.91967095     -0.59897733
  H     -4.19305778      3.27138337      4.75188693
  H      1.39408865      1.36641627     -1.12132618
  O     -1.53461444      0.01425362      2.36193028
  H     -3.70309509     -2.66424433      3.23878950
  H      1.48541164      0.62055192      0.23412887
  O     -1.27798062     -2.51439768     -0.37153425
  H     -4.45744969     -3.15887296      4.49045035
  H      0.01755575     -1.78339509      4.88447678
  O      2.32958684     -0.71527586      1.08303860
  H      1.47459690      3.11840370      4.84967314
  H      1.10298312     -2.76729477      5.38090039
  O     -1.24386097      1.66279929      5.55281296
  H      0.25607202      2.16467593      4.83698768
  H     -0.47225978     -1.39047219      2.06421156
  O      0.98719729      1.29652594     -0.24953335
  H      2.42288726      1.48521673     -3.55919142
  H      0.43961171     -2.36623058      2.84109141
  O      0.89853849     -2.14451266      4.68809435
  H      1.26196395      0.53014161     -3.18769403
  H     -3.84759371     -1.91595573      1.28552733
  O      0.12591264     -2.14819306      1.95646490
  H     -4.69497476     -0.64089948      4.06750644
  H     -2.80433750     -2.93273907      0.82707401
  O     -3.49512869     -2.79765387      1.48364559
  H     -4.58009529      0.91284236      4.10360649
  H     -4.16718375      0.59750519      0.61161640
  O     -4.12613724     -0.14426620      1.22296722
  H     -3.24234854      2.90921357      1.01452182
  H     -4.61026554      0.08049092      2.03226916
          69
 Energy    -249.25388041501128     
  O     18.06323876      9.67833858    -10.31390086
  H     18.23439228     10.48337817     -9.81171502
  H     18.52773816      4.47643782    -11.60667369
  O     13.01709929      6.25209211     -9.21823475
  H     17.47977186      9.13134569     -9.76055086
  H     16.48469609      5.50634749    -10.16053554
  O     18.38787000     11.77690704     -8.48619819
  H     12.64357860      6.61587196    -10.02905198
  H     15.38565675      6.07069836    -11.11521018
  O     12.42222463      7.34332614    -11.80596956
  H     13.89899756      5.93889098     -9.46561733
  H     20.06884889      7.09850571    -12.04645135
  O     16.33918385      9.15903737    -12.45922861
  H     18.60823796     12.70321168     -8.52803021
  H     19.67823836      5.88279679    -12.90867477
  O     19.80965824      7.53794129    -10.27550860
  H     17.54617978     11.70930724     -7.99849319
  H     16.71868312      8.65749573     -5.44741534
  O     20.40159457      7.38837739     -7.52442198
  H     13.25402440      7.05955789    -12.22434953
  H     16.99200072      9.42982405     -4.13590345
  O     18.27225575      5.20848447     -9.98952221
  H     11.73421450      7.22253584    -12.45527939
  H     18.51418813      8.52781984    -15.18918536
  O     16.14548141     11.38149045     -7.03847731
  H     16.94016185      9.41067664    -11.74435844
  H     18.83160443      7.72559761    -13.90550271
  O     13.84208690      9.70012586    -11.00623186
  H     16.90672012      8.92066971    -13.20454307
  H     15.57102674      8.77427328     -8.76729980
  O     14.18637031      9.86473425     -8.30127811
  H     19.27392200      8.34171144    -10.34056627
  H     16.00445119      7.40084214     -9.39272539
  O     18.69654335      4.25990492    -12.53865648
  H     20.13027763      7.48896663     -9.36641795
  H     19.16174710     10.46338706     -7.33095175
  O     15.57736046      5.83415515    -10.19712460
  H     20.06156435      8.25136795     -7.22705051
  H     18.65302939      9.69262547     -6.09528162
  O     19.96770500      6.80159682    -12.96143039
  H     21.25008411      7.26848086     -7.10569736
  H     12.49997780      7.42237767     -6.33787367
  O     17.07307577      9.48622774     -5.08448883
  H     18.76047402      6.02672568    -10.15992764
  H     13.13332206      7.03751520     -7.69450419
  O     18.11208864      8.13646800    -14.41805993
  H     18.23424251      5.12400674     -9.02544297
  H     15.46275714      6.24852310    -13.32978641
  O     16.31967087      8.17899956     -8.91337989
  H     16.37518456     10.81778309     -6.29045008
  H     15.38578955      7.62216814    -12.60567398
  O     19.38454764      9.74918166     -6.72245751
  H     15.39112414     10.95896914     -7.47279613
  H     17.51226525      5.93504086     -6.80447178
  O     13.27689090      7.54766899     -6.87610871
  H     13.27050310      8.98147087    -11.30296421
  H     18.97924521      6.13571555     -7.24199213
  O     14.92825591      6.77622468    -12.71973989
  H     14.63257826      9.66589926    -11.55707488
  H     16.33399597      7.56484690     -7.24364261
  O     18.24647726      5.50543391     -7.25666624
  H     13.93144946      9.86695000     -9.23767856
  H     15.12634153      7.22644623     -6.36370893
  O     16.09062299      7.25562887     -6.35566409
  H     13.71397581      9.16172194     -7.84006730
  H     17.25655787      6.39401844    -14.46745517
  O     16.80395727      5.56311496    -14.27330830
  H     19.01416356      3.36040289    -12.55564278
  H     17.41675231      5.04394388    -13.73776085
          69
 Ord_Energy   -249.253693    
 O   -7.51164961      -1.55571294     -0.505564630    
 H   -7.88763523     -0.666520476     -0.505233347    
 H   -6.55677462      -1.43067682     -0.442754835    
 O   -5.56324196      -2.40862536       6.16820574    
 H   -5.97214079      -1.62087309       6.55266619    
 H   -6.27960348      -3.00363040       5.92617798    
 O   -4.74981451     -0.938968658     -0.116387397    
 H   -4.03920937      -1.06544590     -0.739133120    
 H   -4.54297161      -1.48207605      0.666236103    
 O   -10.2721415      -3.35444760       5.17547131    
 H   -11.1245508      -3.64072704       5.49224854    
 H   -10.3861179      -3.11328030       4.23714304    
 O   -9.10129070     -0.816008270       5.72114182    
 H   -9.61091328      -1.63224733       5.72564316    
 H   -8.57888699     -0.844876468       4.90555286    
 O   -9.82310581       1.63464192E-02   2.05181122    
 H   -9.90613270      0.823879421       2.57860041    
 H   -9.38397408      0.290798843       1.23560512    
 O   -6.69398451      0.113791890       6.76989889    
 H   -7.59291840     -0.171571776       6.54352713    
 H   -6.30717611      0.455816895       5.95605612    
 O   -6.70933628       3.99357700       1.64310026    
 H   -6.80085707       3.89202213       2.60138798    
 H   -6.21312141       3.21781158       1.35331643    
 O   -7.60060501     -0.923579752       3.38964391    
 H   -8.33918095     -0.641297162       2.83394408    
 H   -7.32423687      -1.80461812       3.11114955    
 O   -7.10423517       3.08962941       4.26788807    
 H   -6.49088097       2.34768057       4.19593716    
 H   -7.33956385       3.15963674       5.20514202    
 O   -5.72021103       1.34801543       1.19286180    
 H   -5.58433962       1.15165091       2.12695193    
 H   -5.29703140      0.633887231      0.698184848    
 O   -10.2958813       1.77499688       5.92447424    
 H   -10.2924109       2.09357381       5.01316833    
 H   -10.0072870      0.854366541       5.87777662    
 O   -9.66009903       2.51029277       3.23698545    
 H   -9.69513702       2.98953032       2.40098810    
 H   -8.78341007       2.68863463       3.60824323    
 O   -3.67844033      -1.24611473       4.61441946    
 H   -2.84515786      -1.22326994       5.07739449    
 H   -4.30246401      -1.73553920       5.18083477    
 O   -5.58562756      0.733385801       4.02625084    
 H   -4.81587458      0.180514455       4.20791721    
 H   -6.31355047      0.133030176       3.78777289    
 O   -8.27812004       1.10198486       1.50797600E-02
 H   -7.41351604       1.19505465      0.442022979    
 H   -8.68702316       1.97536576       5.34306988E-02
 O   -10.4797478      -2.64196873       2.58803439    
 H   -10.4310865      -1.69465899       2.39835739    
 H   -9.95777321      -3.07159495       1.90024960    
 O   -7.88265896       2.81879616       6.88483810    
 H   -7.43203545       2.01582265       7.16406679    
 H   -8.79263306       2.54934883       6.68553352    
 O   -8.66547012      -3.70272422      0.657833993    
 H   -8.86491966      -4.34759092      -1.55113097E-02
 H   -8.28062820      -2.93183517      0.201476961    
 O   -6.79794788      -3.52514172       2.72847986    
 H   -7.44293928      -3.73927116       2.04143810    
 H   -7.08603621      -3.92141938       3.56015992    
 O   -9.21777439       3.69643116      0.662421346    
 H   -8.31742573       3.91221404      0.968426526    
 H   -9.55603504       4.47435093      0.227829382    
 O   -7.65333652      -4.27543259       5.29982710    
 H   -8.57786560      -3.98145556       5.31054354    
 H   -7.62598896      -5.11192799       5.75959873    
 O   -4.33167315      -2.39102197       2.09976244    
 H   -5.13270807      -2.88916016       2.31391144    
 H   -4.00692463      -2.03013253       2.93274164    
          69
 Energy    -249.25367958275280     
  O     13.41601051      7.57434715    -11.22614952
  H     13.42845614      8.53359717    -11.33590570
  H     16.56658744      7.21143332    -16.01419940
  O     14.33960072     12.27102428    -14.96998730
  H     13.90661905      7.33645262    -10.42510222
  H     17.63084042      4.37982332    -13.32184602
  O     16.45803366     10.47515283    -11.41050854
  H     14.01492914     11.36620614    -15.06579635
  H     16.16033942      3.95438211    -13.11985782
  O     14.19398713      5.34087496    -16.59166456
  H     13.94630321     12.60360827    -14.15387922
  H     12.54711590      6.37661529    -12.31937475
  O     15.13051358      6.78917774     -9.22360376
  H     16.65799528     10.00114080    -10.59544667
  H     12.17174028      6.29167155    -13.81366941
  O     16.24061006     13.20830501    -12.02226427
  H     15.53235823     10.30292285    -11.63266586
  H     18.99022220      7.55055120    -12.56468419
  O     15.62557351      6.98029849    -12.82626953
  H     15.10275734      5.69500119    -16.58206048
  H     19.04995685      8.67553258    -13.61488642
  O     13.75745991     10.19908875    -12.10378836
  H     14.14410806      4.73214752    -17.32378903
  H     14.48715469     13.18077810    -12.13817543
  O     17.87167758      7.03682044    -11.18883149
  H     15.75973197      7.50424093     -9.07121840
  H     13.05656543     13.72971512    -11.91547429
  O     17.18781112      8.82841316     -9.25797047
  H     15.65615112      6.02387433     -9.48582457
  H     14.55881661      9.26067182    -14.95024541
  O     18.69141752      5.37917725    -14.59151062
  H     16.42027816     12.32577822    -11.66836667
  H     13.08976596      8.79753092    -15.08660730
  O     16.67310098      6.31572641    -16.36537638
  H     16.61676189     13.20742827    -12.91109310
  H     17.29777923     13.34333918    -15.44025179
  O     17.03782510      3.92402770    -12.71262151
  H     15.41381838      6.11891261    -13.20756586
  H     16.07532543     12.56116729    -14.90813194
  O     12.29474254      5.75820684    -13.02033065
  H     14.86766025      7.22925560    -12.28065151
  H     12.95465934      6.54107466    -15.96874537
  O     19.33394207      7.77020701    -13.44223176
  H     13.54290549     11.13897834    -12.06057062
  H     11.52247970      7.09380126    -16.12303163
  O     13.54266879     13.00671949    -12.30177982
  H     13.67246339      9.94159210    -13.03378276
  H     13.75674357      4.82401544    -13.47428881
  O     13.63938948      9.54179357    -14.81851528
  H     17.78600462      6.18688875    -10.73816071
  H     14.50366807      4.67054440    -14.81696567
  O     17.01939845     12.74362658    -14.75321921
  H     17.11369435      7.07688276    -11.79389502
  H     16.96623304      4.32516309    -11.01790419
  O     12.30782846      7.15278168    -15.58269164
  H     17.88296228      8.98305571     -8.62313543
  H     17.19938404      3.90382398     -9.55051831
  O     14.59998225      4.54812499    -13.86653476
  H     17.54490007      8.21808897     -9.92777233
  H     16.02193476      8.03659955    -14.18078039
  O     16.97675921      4.65086002    -10.09924178
  H     18.94463505      6.24721227    -14.23128952
  H     16.88133293      9.24687732    -14.62715890
  O     16.20326691      8.62994011    -14.92783832
  H     19.49731093      4.97409297    -14.90370684
  H     17.84191451     11.16562566    -14.13506987
  O     18.02975523     10.31896066    -13.71070572
  H     17.36915622      5.91044328    -15.83472144
  H     17.55071270     10.33312339    -12.86833793
          69
 Energy    -249.25356474400934     
  O     12.66393649     11.25541959    -15.89516882
  H     13.26785489     11.86619650    -15.45609837
  H     14.65799005      5.55724468    -15.36507616
  O     14.50136979      6.25742737    -13.70445253
  H     11.99571683     11.00468002    -15.24585450
  H     17.89154418      6.04984899    -14.60971649
  O     16.81877959      9.56049956    -11.57449507
  H     15.19031022      6.36118254    -13.03556863
  H     18.17453582      7.36824278    -13.87975088
  O     17.77436976      9.30359541    -14.19393955
  H     13.66332932      6.44530216    -13.26182130
  H     16.77708463     11.25992256    -16.51257255
  O     12.60117558      6.86911068    -17.09451624
  H     16.75781885      9.74230052    -10.62562887
  H     17.33558297     11.01219213    -15.09705429
  O     13.62790848      8.96097458     -9.37761681
  H     16.04415624      9.98289069    -11.97345434
  H     14.76578722      8.86550414    -15.68445163
  O     12.27285881      6.92700284    -12.22747633
  H     16.88514937      9.04428364    -14.49273109
  H     14.91213866      7.81572913    -14.53208177
  O     14.61083134     10.58160143    -12.91310085
  H     17.68856844      9.47400982    -13.24605981
  H     10.79952677      9.33741890    -14.36923660
  O     18.21744172      8.38066243    -16.86590760
  H     13.37751116      6.32201261    -16.87587520
  H      9.76417055     10.46840394    -14.16285843
  O     14.08806703      6.22702735    -10.14689200
  H     12.09543159      6.38167531    -17.73979488
  H     11.64124200      7.34803543    -15.49516599
  O     17.57527330      5.75894067    -16.50645504
  H     13.05354018      9.28920477    -10.08005558
  H     11.43771909      7.21769777    -13.95602769
  O     14.75730470      5.45526788    -16.32320018
  H     13.73284099      8.01569205     -9.54035707
  H     17.02679513      6.48671638    -12.26387113
  O     18.06763833      6.42054510    -13.73708360
  H     12.24224052      7.88218588    -12.06568446
  H     16.47674848      7.74152222    -11.54944779
  O     16.89925410     11.67185104    -15.64777831
  H     12.72615479      6.54795372    -11.46413021
  H     16.22802858     10.34349840     -8.08501839
  O     15.17463108      8.69642850    -14.82829017
  H     14.72393200      9.92249000    -13.61552388
  H     15.23439336      9.66195764     -9.04231232
  O     10.69125018     10.26127872    -14.07709195
  H     14.60920188     11.44364227    -13.34537759
  H     15.51481100      9.88427644    -17.86346972
  O     11.13025722      7.67719664    -14.74698494
  H     17.64419444      8.97781475    -17.36268020
  H     16.38559399     10.55956192    -18.94891204
  O     16.33819028      6.78963682    -11.65322716
  H     18.30773213      8.77039750    -15.98797085
  H     11.61886885      9.97717304    -12.43906944
  O     16.15311520      9.96928916     -8.95812688
  H     14.22293715      5.48702513     -9.56001014
  H     13.12093883     10.02973708    -12.11512743
  O     16.40658613     10.22048066    -18.05760978
  H     14.93003464      6.36961779    -10.61112682
  H     15.49884832     12.47319965    -14.99054648
  O     12.27346092      9.68503601    -11.79383786
  H     18.19912214      5.21078530    -16.97631540
  H     14.80384684     13.75645443    -14.47379905
  O     14.68176243     12.81790239    -14.58691520
  H     17.80929071      6.68147845    -16.70939070
  H     13.42760445      8.51219534    -17.32625741
  O     13.95985052      9.31492717    -17.27291021
  H     15.70429373      5.52504335    -16.49100549
  H     13.42845831     10.01308850    -16.85531365
          69
 Ord_Energy   -249.253326    
 O    3.36041212      -4.67819071      0.542938471    
 H    4.19050932      -4.56010389       1.01945090    
 H    3.53203177      -5.25159216     -0.215001121    
 O  -0.716343284      -4.52856684     -0.656312227    
 H  -0.213461325      -4.46690989      0.175464913    
 H   -1.47808850      -5.07267761     -0.473650813    
 O    4.84880066      -1.69750786      -3.42724895    
 H    5.31551504      -1.46106207      -2.61318827    
 H    4.72074223     -0.866017401      -3.90235281    
 O    5.74968004      -4.25021887      -2.48420429    
 H    5.39671135      -3.49942994      -2.97677827    
 H    5.03049517      -4.88146305      -2.36015701    
 O    5.78554916      -4.10596466       1.85667741    
 H    6.35060167      -3.87760758       1.10175216    
 H    6.30731297      -4.66592550       2.42739463    
 O    7.31288290      -3.56558061     -0.411656708    
 H    8.21692276      -3.77880073     -0.628424704    
 H    6.76664734      -3.86191034      -1.16406763    
 O    1.82384276       1.00652564      -3.45902538    
 H    1.66154897       1.26544690      -2.53971434    
 H    1.13983214      0.364342004      -3.67754626    
 O    1.33854306      -5.17594862      -2.52336812    
 H    1.61560845      -4.31379175      -2.86795425    
 H   0.607322514      -5.00519657      -1.91843820    
 O    4.31366920      0.867406428      -4.41065168    
 H    3.39899492      0.945465982      -4.07822227    
 H    4.34148455       1.31544852      -5.25103378    
 O    2.69808412      -2.16108370     -0.535583436    
 H    2.90296578      -3.02150583     -0.148340613    
 H    2.50919509      -2.30380583      -1.47088897    
 O   0.788361669      -4.36938810       1.58752561    
 H    1.68775070      -4.58487558       1.30419004    
 H   0.869253039      -3.59612370       2.15790153    
 O  -0.903435409      -1.80005300      -1.42915666    
 H  -0.897165358      -2.73735976      -1.19884408    
 H  -0.528327167      -1.33902419     -0.667865872    
 O    4.38110399     -0.387811005      0.727088392    
 H    4.18505192      0.546288311      0.585365713    
 H    3.74209833     -0.917928696      0.224750832    
 O    6.32517815     -0.967657506      -1.12649202    
 H    5.70244360     -0.769367933     -0.410075247    
 H    6.79641390      -1.76282752     -0.859641135    
 O    2.25841403      -2.67732358      -3.24133754    
 H    1.56841385      -2.08792925      -3.57150054    
 H    3.12490630      -2.29279637      -3.42929745    
 O    4.01748657      -2.03029609       2.91214085    
 H    4.62361050      -2.74640727       2.69959831    
 H    4.19430208      -1.34889197       2.24616599    
 O    1.41959715       1.58354509     -0.799916029    
 H    2.25908995       1.89653933     -0.442275137    
 H    1.11054432      0.881687224     -0.213705495    
 O    5.67031574       1.64560342      -2.03403592    
 H    5.24256039       1.47210741      -2.88213086    
 H    6.09372711      0.816455841      -1.77665591    
 O    1.57973804E-02  -1.12062967      -3.87252688    
 H  -0.684600055      -1.22011578      -4.51093340    
 H  -0.367760479      -1.32656848      -3.00014901    
 O    4.04328108       2.30200911       4.19675782E-02
 H    4.32279825       3.11909342      0.445626855    
 H    4.62034512       2.15715313     -0.729262531    
 O    1.29265547      -2.01824260       3.13862443    
 H    2.26522899      -2.03431940       3.10304689    
 H    1.05796731      -1.84562135       4.04663754    
 O    3.72811222      -6.13941240      -1.82245779    
 H    3.80147099      -7.06827259      -2.02276969    
 H    2.84105253      -5.85749769      -2.11472130    
 O   0.660798550     -0.740890563      0.659394562    
 H   0.724480569      -1.02671874       1.57664835    
 H    1.32856119      -1.26584816      0.189961523    
          69
 Energy    -249.25320785856084     
  O     13.10742659     13.05872076    -14.49044357
  H     12.79165965     12.29711575    -14.99175037
  H     16.47938193     10.73557986    -14.67716756
  O     18.22249700      7.82844065    -14.12839198
  H     13.77739312     13.47877940    -15.04229861
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  H     17.57852836      7.24599648    -13.70845553
  H     15.29867833      8.87733458    -19.87450487
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  H     17.98206241      7.84649248    -15.06110463
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  H     16.33005550     10.50522222    -12.44735294
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  H     13.55183185     10.92555315    -16.48358452
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  H     17.90775205     13.40626941    -14.31356205
  H     13.04234993     10.08979992    -15.26691572
  O     13.98471343     12.50685852    -11.96896401
  H     16.53083149     13.95178790    -14.77024989
  H     11.53294466      7.99201037    -11.73503737
  O     13.27086426      8.17448922    -17.48795541
  H     15.77615631      6.57480099    -12.31969286
  H     12.73912578      8.57955513    -12.50445913
  O     16.94230051      8.30760859    -16.70231938
  H     16.41293858      5.24123277    -12.76889228
  H     16.77601462     14.40150112    -10.95253178
  O     14.86365018      6.95204619    -15.43020871
  H     15.75146233      9.47359393     -8.30291294
  H     16.76823865     13.75858181    -12.35990364
  O     16.91643856     10.80159905    -15.53844152
  H     14.88466019      9.97773740     -9.48351918
  H     19.32218186     11.45594737    -14.12173503
  O     15.34555775      9.13330418    -18.95741231
  H     14.09714313      7.63947685    -11.12755069
  H     20.09379555     12.29467620    -15.17152492
  O     15.63733393     10.57819107    -13.11423489
  H     15.37706873      8.07212417    -10.39053842
  H     16.93714238     10.47899863    -10.32603228
  O     12.75654087     10.63205734    -16.01736796
  H     14.75496777     13.04757443    -11.75428172
  H     17.18297318     11.84874723    -11.03710048
  O     12.39955993      8.37174391    -11.61691286
  H     13.60714898     12.81033588    -12.80895547
  H     15.77258583     11.27375282    -16.74091476
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  H     13.65068851      7.60862895    -16.80364362
  H     15.17365570     10.83164315    -18.09333838
  O     19.22917971     12.15564806    -14.79656690
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  H     13.48415536     11.29727421    -10.69939119
  O     17.44756868     10.91962372    -11.01855822
  H     16.98990354      9.17058440    -16.26184991
  H     12.91041539      9.86670567    -10.55542886
  O     15.10139072     11.50308030    -17.40582247
  H     16.57071176      8.48610820    -17.57364788
  H     15.12322310     14.72061954    -16.80148383
  O     13.37699811     10.56315650    -10.07777878
  H     15.24828613      6.51644144    -14.65843670
  H     15.16729408     13.17879044    -16.74205525
  O     15.22343638     13.98416947    -16.20224393
  H     15.60205867      7.37726950    -15.89180484
  H     14.01841801      8.21218754    -14.47503197
  O     13.64422342      8.94711872    -13.97127748
  H     17.75459177     11.25768330    -15.40014850
  H     14.39110053      9.45611971    -13.62078955
          69
 Energy    -249.25269966645456     
  O     -5.46554600      4.14982718      1.83839133
  H     -6.37145258      4.29607840      2.09776645
  H     -3.42653283      4.91191322     -1.76144644
  O     -3.50064191     -2.15920151      0.45073039
  H     -4.91296763      4.65784769      2.45846195
  H     -0.19353566     -1.58834119     -1.08553406
  O     -0.24205487      4.42384718     -1.73369293
  H     -4.11806602     -2.87355175      0.31883617
  H      0.46597425     -1.82173518     -2.46448502
  O     -3.02485389      1.83765448     -1.72212207
  H     -3.38723434     -1.72431891     -0.41363756
  H     -1.97444122      3.42769830      3.40234777
  O      0.26710289      0.77291221      5.04526428
  H     -1.14789219      4.54482911     -2.04342168
  H     -2.40876719      2.68213439      4.69243934
  O      1.75870526      3.93542276      1.95568865
  H     -0.06529675      3.47893800     -1.81808904
  H     -1.81391762      5.03545845      1.44261101
  O     -1.71720004      3.27103301      1.65389180
  H     -3.09378688      2.72050572     -2.10518174
  H     -0.99076667      6.25685620      1.03054622
  O     -2.67326312      0.92515264      5.00484783
  H     -3.43713457      1.87610986     -0.84633690
  H     -4.61644931      2.60090803      1.25043986
  O     -2.95637916     -0.95522567     -1.92438247
  H      0.48013406      1.70796983      4.90670646
  H     -3.82810905      1.24330317      1.45704343
  O     -3.11062159     -0.15522408      2.38539801
  H      0.85181343      0.45930706      5.73173233
  H     -3.11905411      5.95577928      2.80974185
  O     -0.32050489     -0.28686595      2.49466620
  H      1.38822343      3.93648895      2.84539858
  H     -3.24863581      4.93842014      3.95559605
  O     -2.99434871      4.52286785     -2.54329598
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  H     -1.20305941      1.66896265     -1.69658097
  O     -0.08512218     -1.21431820     -1.97842566
  H     -0.94051361      2.76212560      1.39304576
  H     -0.05831528      0.65173014     -1.89482699
  O     -2.07886962      3.52979066      4.36206041
  H     -2.49619015      2.82986634      1.29223045
  H     -0.34211012      3.65848903      4.61167327
  O     -1.85780353      6.00273098      1.36370622
  H     -2.96357500      0.48236470      4.19653615
  H      0.92427911      4.19394893      5.31592090
  O     -4.01145940      1.96826531      0.84232654
  H     -1.73950113      0.70819616      5.11112890
  H     -4.65277250      5.09385528      0.32329126
  O     -3.75699711      5.56322720      3.42063548
  H     -2.01755269     -1.09504100     -2.09723172
  H     -3.31270830      5.85010342      0.23360916
  O     -0.23809237      1.58251305     -1.71212296
  H     -3.09102819      0.00108307     -1.96915280
  H      1.09757755      2.47660024      1.18078786
  O      0.62568737      3.56763395      4.66029139
  H     -2.14189215     -0.16000259      2.40611993
  H      0.37097981      1.73361340     -0.01939681
  O     -4.06393713      5.54180355     -0.29299863
  H     -3.36361174     -0.88924665      1.81065538
  H     -1.57157139     -2.35382234      0.53355057
  O      0.50393790      1.75144238      0.93701269
  H     -0.04648354     -0.05469513      3.38806130
  H     -0.40380279     -1.64826493      1.24505177
  O     -0.61759882     -2.21618160      0.49228071
  H      0.02403092      0.41084890      1.91376201
  H      1.32300628      6.64269971     -0.14305090
  O      0.73263072      6.00661863      0.25230358
  H     -3.34806407      4.97138265     -3.30653082
  H      0.40956408      5.44142886     -0.47331965
          69
 Energy    -249.25238428453426     
  O     -3.10159034      4.85829881      3.70983432
  H     -3.57064008      5.68748849      3.66903354
  H     -1.34805477     -0.16345525      2.27074927
  O     -2.58240208      2.85479955      1.77427991
  H     -2.15022566      5.07249594      3.71766118
  H     -4.43299897     -2.55889876      2.97389348
  O     -2.51335649      3.36798540      6.09774042
  H     -2.92932384      3.52347872      2.37714419
  H     -3.43693586     -1.38504764      2.86007498
  O      2.04848101     -2.31087120      0.46508714
  H     -1.62847353      3.01471235      1.72467523
  H     -1.07989388      0.86707441      5.23206347
  O      1.45622762      1.18442093     -1.42133169
  H     -2.83124654      3.87602287      5.34094009
  H     -2.33560559      1.63873088      5.71426991
  O     -0.90544818     -0.25957765     -0.82911206
  H     -1.57060175      3.56326817      6.17130640
  H      0.85184838     -2.41863342      3.88927995
  O     -2.99302484      0.34682352      2.85370112
  H      1.77943000     -2.46794297      1.38227546
  H      0.09986884     -3.14870847      2.71007888
  O      0.29506248      3.60505312     -1.19341216
  H      1.29821010     -2.59156403     -0.06958681
  H     -0.65453338     -3.38970500     -1.62118375
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  H      0.69817670      0.59390299     -1.31465852
  H     -0.72102082     -2.01675627     -0.91669282
  O     -1.99766638     -1.99347422      5.46965036
  H      2.14552657      0.84949903     -0.83664484
  H      0.58986803      2.66688042      5.71723049
  O     -1.31632122     -3.79518526      1.86615353
  H     -1.47052824      0.50967028     -0.98679534
  H      0.98204616      3.78403386      6.70531735
  O     -0.48174958     -0.33443106      1.88228951
  H     -0.73268506     -0.27820136      0.12502803
  H      0.84634983      0.73516783      2.18793176
  O     -3.50320079     -2.34465988      2.99688899
  H     -2.97342292      1.19812457      2.39614424
  H      2.33066372      0.96094492      1.83392500
  O     -2.03053020      0.78298692      5.38089299
  H     -2.74361493      0.52499666      3.77324126
  H      1.02365172     -2.28543130      6.40925169
  O      0.84044306     -2.56239937      2.93793920
  H      0.77631941      2.76820189     -1.32963944
  H     -0.27510621     -1.94736017      5.63754706
  O     -0.50469926     -2.95566956     -0.78488501
  H      0.59042571      4.20821821     -1.86950429
  H      0.89367566      0.05523059      5.30036397
  O      0.37911506      3.57192695      5.99642966
  H      4.22759893     -0.03833989      0.33256892
  H      1.17130498      1.09339799      4.17195233
  O      1.62266291      1.27800128      2.40653334
  H      2.88485473     -0.79839363      0.43911111
  H     -0.12043358      4.68177092      2.96525931
  O      0.68928047     -1.80514121      5.65623408
  H     -2.51308709     -2.26707913      4.70355110
  H     -0.04234305      4.70127466      4.50832934
  O      0.79066735      0.98314807      5.05499729
  H     -2.16270684     -1.04515291      5.58034103
  H     -2.53021888      2.42851172     -0.10095203
  O     -0.41057006      5.16959113      3.74957022
  H     -2.12171944     -3.34420227      2.14835203
  H     -1.45901851      2.74949390     -1.15455342
  O     -2.20857811      2.16886789     -0.97352325
  H     -1.16354986     -3.56021894      0.94197082
  H      0.25265959      3.62772846      0.64391463
  O      0.14875553      3.49823409      1.59535005
  H     -0.11451013     -1.14601226      2.25727916
  H      0.74828523      2.78878656      1.86151976
          69
 Energy    -249.25236363184160     
  O     16.32512282     12.05602089    -15.18638780
  H     15.47815545     12.37282482    -14.85368623
  H     11.87542594      8.18227309     -9.15247079
  O     16.06608453      7.25663955    -11.24038835
  H     16.78957676     11.70843029    -14.41369785
  H     14.20623487     12.28234976    -10.80892994
  O     11.77262654      8.12229654    -12.71510267
  H     15.19007903      6.87405346    -11.08387787
  H     15.68771395     12.59818290    -11.04098740
  O     13.40967063     10.78740995    -10.06330585
  H     16.29664433      7.04126015    -12.15484787
  H     15.31591460      8.79183564    -11.78037703
  O     18.50099270      8.49167364    -14.49190723
  H     12.16276950      8.80976707    -13.27075006
  H     14.51126541     10.06510963    -11.38100384
  O     13.45408568      5.87700790    -16.34471301
  H     11.59701898      7.34972913    -13.27310984
  H     16.59707609     10.56241642    -16.20161386
  O     16.36833007      6.84860350    -13.98750553
  H     13.74372493     10.43392637     -9.22841462
  H     17.49382702      9.32080231    -16.01766705
  O     13.20929196     10.06612449    -14.09575397
  H     12.53332571     10.40564302    -10.19691745
  H     13.25526935      4.90561600    -11.83948179
  O     16.70003666      9.17958686     -9.22701234
  H     19.33359492      8.03698850    -14.59000110
  H     12.89324672      3.40335003    -11.83594348
  O     15.10143785      4.47817055    -14.45369700
  H     17.82892600      7.81084194    -14.31811933
  H     10.07142909      9.59581632    -10.42721841
  O     14.43666129      9.48013647     -7.79834335
  H     13.35412074      5.79462889    -17.28950813
  H     11.18093821      8.90449131    -11.25268622
  O     12.50472054      7.59262295     -8.71794933
  H     13.85919509      6.74641395    -16.18127774
  H     13.11741282      6.75187938    -10.15909444
  O     14.80067675     12.84611411    -11.32391513
  H     15.74625636      7.39226392    -14.49038296
  H     12.93596804      7.07367059    -11.66605468
  O     14.98175855      9.63631844    -12.10764081
  H     16.07569659      5.93369402    -14.11066416
  H     12.00495916      5.13015497    -13.62066781
  O     16.76060867      9.66718064    -16.53685362
  H     13.87188355      9.86009994    -13.41424248
  H     12.14710357      5.83039338    -14.98207982
  O     13.13275528      4.12736861    -12.40881738
  H     13.24582251     11.02453636    -14.18758737
  H     17.53626561     11.36917151    -11.41293248
  O     10.99698132      9.36639128    -10.41632690
  H     16.65358691      8.48034444     -9.89195572
  H     18.14924056     12.21137266    -10.27129831
  O     13.40497794      6.49701399    -11.04828692
  H     16.96639260      9.99164925     -9.67446449
  H     14.04873167      8.90776922    -15.23646377
  O     11.62081490      5.82229659    -14.17247115
  H     14.48619790      4.24719522    -13.74656697
  H     15.33238470      8.74199576    -16.10492114
  O     17.37813085     11.70365592    -10.51291414
  H     14.55430276      4.80985161    -15.17759692
  H     13.44959667     13.66661664    -14.08430184
  O     14.60823561      8.25756761    -15.67881036
  H     15.28959006      9.32921381     -8.24470449
  H     14.20212451     12.87060833    -12.99708541
  O     13.85323320     12.82130273    -13.90414759
  H     14.63540604      9.73266346     -6.90095298
  H     16.53809900     10.27876894    -12.76655417
  O     17.41929463     10.61503414    -12.99392554
  H     13.16178701      8.16605357     -8.30316511
  H     17.88367942      9.91265789    -13.46531008
          69
 Energy    -249.25205470916603     
  O     12.07199265      9.83649760    -14.11098313
  H     12.41270613     10.66496703    -13.75285261
  H     15.13611596      5.80277724    -16.21858652
  O     16.56757587      6.08329373    -13.39946624
  H     12.70196225      9.56390643    -14.78823427
  H     19.69406354      7.50607116    -12.96919483
  O     16.89764513      9.38481066    -10.09388291
  H     17.45369994      5.92838559    -13.05095684
  H     19.70463865      8.52636657    -14.14286789
  O     17.61151352     10.78953324    -14.19543455
  H     15.93001335      5.91652522    -12.69110610
  H     14.80809827     10.88104334    -15.65200111
  O     13.29810049      6.38752904    -16.18903971
  H     16.11471037      9.70899113    -10.56120547
  H     16.02983770     11.48420869    -14.91791407
  O     14.99902372      7.91437919     -8.46089145
  H     17.64645756      9.79915411    -10.54031085
  H     16.16182466      7.82127823    -13.57419528
  O     14.59519780      5.80025289    -11.44888394
  H     18.22408028     10.35446796    -14.80452603
  H     16.53015695      9.33007312    -13.83503288
  O     14.67925556     10.12912117    -11.60995635
  H     18.05028924     10.84572946    -13.33741546
  H     11.39943989      8.62106026    -13.07462311
  O     16.88369573      8.21425856    -16.92070864
  H     13.08256823      6.15982797    -15.26658005
  H     10.13604770      7.97704994    -12.45253173
  O     15.77304885      5.35529681     -8.90440911
  H     12.65997806      5.94094750    -16.73899482
  H     17.59608452      7.64454051    -10.08808114
  O     19.16593739      9.16039383    -15.85992406
  H     15.68168971      8.49796928     -8.81440465
  H     17.30037908      6.19689217     -9.63602089
  O     16.09217593      5.70300080    -16.13779464
  H     14.23936295      8.00428766     -9.05339087
  H     13.35009480      5.65900377    -12.90710578
  O     19.89305417      8.42110511    -13.20241268
  H     14.97406662      5.44970136    -10.63442495
  H     12.08868802      6.49098444    -13.21628354
  O     15.13434284     11.68256273    -15.22548047
  H     14.13126192      6.60941365    -11.18910159
  H     19.35520388      9.70904683    -12.18843871
  O     15.80875904      8.71792093    -13.63972950
  H     15.03032409      9.59859569    -12.34400026
  H     19.70218931     10.98433347    -11.38238436
  O     11.08664646      7.91311533    -12.48252034
  H     14.26653319     10.90658236    -12.00155112
  H     18.77452389      6.16459583    -11.44605939
  O     17.95766404      6.74880846    -10.07575583
  H     16.71827398      7.27735879    -16.73117714
  H     19.68898280      5.10439552    -12.11764744
  O     12.71236507      5.86247339    -13.60129988
  H     16.03397343      8.64432846    -16.79632880
  H     14.75116111      8.86125639    -15.05449530
  O     18.97078877     10.47150065    -11.71700553
  H     15.46884382      6.24054447     -8.63101307
  H     13.86078363      8.15046983    -16.10484656
  O     19.13777820      5.86018116    -12.29957239
  H     15.67389256      4.78411712     -8.14807556
  H     13.63600491      8.85509561    -10.93590334
  O     14.22060424      9.01225712    -15.85503318
  H     19.78418685      9.33466567    -16.56443649
  H     12.35638568      8.00365042    -11.11146293
  O     13.17109040      8.07352380    -10.60043173
  H     18.36809878      8.78623274    -16.27616404
  H     14.06876105     12.08117655    -13.90642541
  O     13.45852468     12.14457219    -13.14924479
  H     16.27661682      5.71854289    -15.18815525
  H     13.20410488     13.05993601    -13.07449850
          69
 Energy    -249.25187827086154     
  O     -2.25060081     11.78669093      7.81639804
  H     -2.24055371     10.85818994      8.08204297
  H      0.28353554     12.55222867      6.14771571
  O     -4.68342203      8.24093410      3.70365668
  H     -3.08350556     12.17550922      8.11096399
  H     -4.87731943     13.84495924      5.42823839
  O     -1.93451941     14.81784073      5.06074687
  H     -5.32779314      7.54101720      3.62646968
  H     -4.63756300     14.18971472      6.91487918
  O     -4.21638200      9.13477779      6.25241640
  H     -4.64225964      8.47523603      4.64491757
  H      1.91560520     11.03797645      4.87193228
  O     -0.52143909      8.80729194      6.08618384
  H     -1.28263137     14.33998695      5.59379875
  H      0.45093266     11.20311674      4.40242563
  O     -4.03263249     10.05762480      1.54667895
  H     -2.79713522     14.71089657      5.48004767
  H     -6.05406128     11.58411453      5.96746261
  O     -4.56163388     12.82441403      1.84597780
  H     -3.71524227      9.82485983      5.78675359
  H     -5.58549252     10.35080756      6.75044506
  O     -2.17097487      8.97959063      8.18362619
  H     -3.65674339      8.88150340      6.99511879
  H     -1.97181367     14.11784580      3.40845338
  O     -1.78058879      7.99435632      3.73518718
  H      0.06857692      9.52738067      5.83869331
  H     -2.03666837     14.54344808      1.92022076
  O     -1.42602564      9.46492081      1.30106976
  H     -0.92486954      8.47965554      5.26859184
  H     -2.16925809     16.49415823      4.25381954
  O     -0.76909997     11.41440430      3.16434078
  H     -4.39472271      9.56566319      2.29295271
  H     -3.49484227     17.20225288      3.94259317
  O     -0.25498531     13.24366070      6.54957783
  H     -4.34608765     10.96906296      1.60617518
  H     -2.43238658     16.67212065      2.05681201
  O     -4.59031434     14.55481711      6.02475407
  H     -3.64402105     13.03346050      2.07159016
  H     -2.04127695     16.81519556      0.56562827
  O      1.01438023     11.06420900      5.18392224
  H     -4.96973614     13.68253059      1.66236847
  H     -5.20699363     13.11638862      9.20932520
  O     -6.09943199     11.16400206      6.83799315
  H     -1.87966317      8.40659508      8.88667846
  H     -5.30980608     12.30109191      7.89600206
  O     -1.98011957     13.77542308      2.50113300
  H     -1.53160886      8.87643187      7.45189001
  H     -5.33505229     15.88974458      2.54923702
  O     -2.55559866     17.20228768      3.71908668
  H     -2.74380337      7.96121025      3.72453319
  H     -4.34620522     15.80014875      1.37772566
  O     -2.45658722     16.22707162      1.19001301
  H     -1.53505300      8.37264478      2.88282565
  H     -6.01149159     17.16900713      4.71135179
  O     -4.76938933     12.95349797      8.37806292
  H     -1.20339909      9.21075620      0.41044134
  H     -5.09625853     15.96280389      5.00904187
  O     -5.21412262     15.49931887      1.67568330
  H     -2.37889536      9.67530431      1.30701800
  H     -2.12306302     11.20798110      4.47072261
  O     -5.29259493     16.65257163      4.35468542
  H     -0.92380787     10.75134945      2.47951606
  H     -2.48756698     11.53238193      5.95916218
  O     -2.84283310     11.23759498      5.11020497
  H     -1.10437204     12.26175215      2.83780114
  H     -4.39123171     11.96997979      4.69292102
  O     -5.23828194     12.39274879      4.47736747
  H     -0.85095242     12.78863710      7.16068259
  H     -5.20709710     12.55593332      3.52718171
          69
 Energy    -249.25186411613299     
  O     14.69250830     11.40085339    -11.65583172
  H     14.00012705     10.93012262    -12.13872441
  H     17.84953833      8.99481989    -15.70924469
  O     16.07587149      6.79593301    -14.79343627
  H     14.68892716     11.04096438    -10.75997458
  H     17.46135150      2.84075968    -12.75732824
  O     13.45153105      5.40009261    -11.56416487
  H     16.13860717      7.14413684    -13.89041385
  H     16.36567065      3.90146613    -13.00384951
  O     17.59262361      6.23958012     -9.06888879
  H     16.88029394      7.09954019    -15.23902546
  H     17.47401148      8.12598562     -9.15412378
  O     16.45807468     10.45154756    -15.59038262
  H     13.59800941      6.31976695    -11.29501396
  H     18.05129755      9.39660297     -9.83286933
  O     10.83779409      7.95590047    -13.83686600
  H     12.54036129      5.34511272    -11.87624265
  H     16.70956126      8.77948781    -12.48661878
  O     14.26584339      8.75842454    -15.43618202
  H     16.85310176      5.67975740     -9.36604329
  H     17.20272140      7.34160597    -12.09052801
  O     14.09162201      7.98232941    -10.94646824
  H     17.92607349      5.84582414     -8.26633251
  H     13.28272657      4.66259207    -14.84431077
  O     19.71806534      8.12012414    -13.23493402
  H     16.36716290     11.12801405    -16.25723291
  H     11.84804636      4.97985886    -14.38803545
  O     12.03080923      7.35154894    -16.38320802
  H     15.63782983      9.93167693    -15.60932522
  H     16.21043826      4.11668299    -10.81533661
  O     18.50189492      6.07146240    -11.72799454
  H     11.09971943      7.84108209    -14.75845807
  H     14.86434356      4.77876486    -10.47772590
  O     18.28367094      8.13763143    -15.64722440
  H     11.45367809      8.60524790    -13.47231280
  H     14.41181473      4.86971109    -13.03796080
  O     17.13386367      3.68225301    -12.45009843
  H     13.48868927      8.38230557    -15.86739381
  H     15.30858921      5.30475855    -14.25014105
  O     17.39043860      9.08631377     -9.20263867
  H     14.86276179      8.01461150    -15.26169360
  H     10.83301718      6.37673954    -13.09322662
  O     16.42696534      7.87215610    -12.31169407
  H     14.95407601      7.90789358    -11.38793185
  H     10.04400818      5.17650378    -12.51690961
  O     12.41972582      4.94928521    -15.16580446
  H     14.21108219      8.60809989    -10.22284984
  H     18.41345567     10.41018403    -11.81988906
  O     15.72845742      4.56005273    -10.10635183
  H     19.67684624      8.81613241    -12.57006057
  H     19.68152831     10.91164187    -11.09105646
  O     14.90589535      4.54201987    -13.80491079
  H     19.47261906      7.31191282    -12.76530651
  H     13.49089118      9.31393458    -13.81548056
  O     10.91582588      5.45751506    -12.78095737
  H     12.20392035      6.46424420    -16.01977147
  H     13.33800090      8.95810292    -12.30581395
  O     19.13868244     10.13900190    -11.22953546
  H     11.62659001      7.22388291    -17.23720539
  H     14.62988420     10.30014253     -8.27403964
  O     13.01494092      9.54402958    -13.00602162
  H     18.12651376      5.23845270    -12.04089656
  H     15.77538219      9.71363606     -9.13414478
  O     14.84536954     10.00409922     -9.15399084
  H     18.36158296      6.09998753    -10.77250456
  H     16.88103123     10.61767546    -13.79537027
  O     16.99616942     10.57343283    -12.83907979
  H     18.85403130      8.17162755    -14.86409345
  H     16.20565424     10.95459767    -12.42540505
          69
 Energy    -249.25092201506962     
  O     11.73367410     10.96714144    -14.10182153
  H     12.19212710     10.48360491    -14.80466125
  H     15.84767906      6.42799135    -15.20136698
  O     16.17113899      6.96089612    -13.51487610
  H     12.25964651     11.75663699    -13.93508987
  H     19.07228450      8.47107243    -14.32492079
  O     16.66672398     10.98490509    -10.03762688
  H     15.61610375      6.89849905    -12.72578814
  H     18.76004504      8.42345687    -15.83701723
  O     17.33735576     11.06679104    -15.27932237
  H     17.09279142      7.03503250    -13.23698299
  H     14.80606697     12.26232540    -16.60265318
  O     12.83489847      6.76662413    -16.05911521
  H     17.15591149     11.79439076     -9.91338993
  H     16.00435260     12.32825736    -15.63527935
  O     14.85047429      9.35496880     -8.52802573
  H     16.04767535     11.14309744    -10.77003676
  H     14.59803044      9.51529208    -14.73887666
  O     14.42106613      6.96010231    -11.36125167
  H     16.62840316     10.55823988    -14.85718807
  H     15.63321460      8.64558789    -13.95082707
  O     14.82250880     11.24651344    -12.05206689
  H     18.11999984     10.50249042    -15.20079958
  H     11.16175085      9.78098841    -13.00747909
  O     16.81087227     10.04913009    -17.85727855
  H     12.67789138      6.73236257    -15.09753955
  H      9.98105144      9.13261860    -12.24192446
  O     15.93542917      6.90976978     -8.97198200
  H     12.18918762      6.19238157    -16.46191278
  H     17.28889861      7.85083893     -9.93427528
  O     17.83739899      7.48065239    -17.25522062
  H     14.11603213      9.38419614     -9.15776637
  H     17.52310764      9.32213133    -10.33571636
  O     15.66299175      6.31841044    -16.14614693
  H     15.49457531      9.99215048     -8.86152718
  H     11.83140883      7.53723932    -13.06524199
  O     19.12849430      8.98215011    -15.14078758
  H     14.91270410      6.74409365    -10.56019482
  H     13.06277633      6.68096054    -12.70725971
  O     15.14219256     12.72350046    -15.82608673
  H     14.00720549      7.81830843    -11.18839691
  H     18.54441403      7.82101031    -11.91500360
  O     15.32629388      9.54743752    -14.10481774
  H     14.39445417     11.99513356    -12.48352778
  H     19.53729938      6.80770226    -12.52924326
  O     10.92010187      9.06574734    -12.39028214
  H     15.04484501     10.61692485    -12.75674967
  H     14.11149630     11.30025372    -18.90691472
  O     17.86239841      8.42690680    -10.45371555
  H     17.14559887      9.14753451    -17.78786272
  H     15.21951172     10.62841529    -18.05780614
  O     12.39288632      6.82068425    -13.38666732
  H     17.07894718     10.48276212    -17.03538851
  H     13.66420034     10.09649477    -11.22180004
  O     18.82588576      7.40372898    -12.74906181
  H     15.52863545      7.75270020     -8.69943716
  H     12.32268290      9.31121838    -11.21683274
  O     14.32105560     11.00753698    -18.02478100
  H     16.00980624      6.37311430     -8.18786047
  H     13.34745210     14.07122328    -13.62334362
  O     13.17135213      9.39933565    -10.76657381
  H     17.04316978      7.04451596    -16.89879146
  H     14.12529785     13.02966748    -14.46086509
  O     13.55911340     13.14331490    -13.67552533
  H     18.26871418      6.84322765    -17.81806591
  H     13.06564658      8.59820331    -16.13238972
  O     13.22502272      9.53083557    -15.94097133
  H     14.70978796      6.41974859    -16.23533832
  H     13.53973600      9.97004550    -16.74192242
          69
 Ord_Energy   -249.249832    
 O   -2.78139710       3.46505475       7.63143921    
 H   -3.21843076       4.29783154       7.88499832    
 H   -2.20584488       3.22675467       8.35352612    
 O   -4.17396021       1.95383132       4.07780552    
 H   -4.08333683       1.90955985       3.11403561    
 H   -3.55038428       2.63348365       4.36724186    
 O   -3.90649700       2.40896249       1.37453771    
 H   -3.07666302       2.89113927       1.48177326    
 H   -4.57653284       3.07530403       1.17651808    
 O   -10.1735573       5.46582508       2.41842651    
 H   -10.3961182       4.52740574       2.48924041    
 H   -10.1657200       5.79264212       3.32608485    
 O   -6.55795336       8.63670063       6.16004658    
 H   -7.26989365       8.29057503       6.71074629    
 H   -6.80246353       8.40691757       5.25398064    
 O   -3.97047281       8.25154781       6.92988634    
 H   -3.60926175       9.08634472       7.21574259    
 H   -4.89094257       8.42431068       6.66310358    
 O   -7.97512245       6.42356491       1.16631949    
 H   -8.23602962       6.93771696      0.406650037    
 H   -8.79099846       6.04657602       1.54324615    
 O   -6.60687065       3.18377256       3.57565665    
 H   -6.41914225       3.64362788       2.74407601    
 H   -5.82794857       2.65038705       3.78199720    
 O   -8.81631470       3.30819917       5.17865372    
 H   -8.07977867       3.23228431       4.55048800    
 H   -8.49553871       2.94870234       6.01290512    
 O   -2.30483675       3.94234800       4.89822817    
 H   -2.31298757       3.70461631       5.83331203    
 H   -2.63190937       4.85416889       4.85967970    
 O   -9.50416565       6.05208254       5.13375998    
 H   -9.27698803       5.11395121       5.21369505    
 H   -9.36762905       6.45270872       6.00006914    
 O   -4.99327374       1.86510336       6.75815248    
 H   -4.25730705       2.36342812       7.13331032    
 H   -4.75563145       1.69981730       5.83657408    
 O   -7.50768185       2.42522264       7.54439163    
 H   -7.78908634       1.76860082       8.17555714    
 H   -6.61195898       2.17041492       7.25487375    
 O   -5.81967640       4.60210800       1.36205161    
 H   -6.55414486       5.19676447       1.16969717    
 H   -5.05530214       5.16038418       1.57660401    
 O   -3.44812846       6.45032835       4.82418346    
 H   -3.42576885       7.15855408       5.47588825    
 H   -4.32290554       6.04022408       4.92367125    
 O   -5.95423126       5.41629171       5.06107187    
 H   -6.43272877       6.12637234       4.61021328    
 H   -6.12695217       4.60431194       4.56875134    
 O   -3.55898190       6.02102709       2.03472328    
 H   -2.81731367       5.41013575       1.94720817    
 H   -3.50981998       6.35289335       2.94036388    
 O   -7.45011044       7.36707258       3.79997420    
 H   -7.51657867       7.18284559       2.85616207    
 H   -8.23448086       6.97426987       4.21377087    
 O   -8.59220409       7.17614126       7.59175205    
 H   -8.99693394       7.35936785       8.43569565    
 H   -7.96573639       6.44431353       7.72989511    
 O   -6.78624964       5.13408661       7.66466331    
 H   -7.07079268       4.21677113       7.75410986    
 H   -6.47245264       5.24034023       6.75138378    
 O   -4.11000967       5.73177814       8.30113029    
 H   -3.99389267       6.60300350       7.90402699    
 H   -5.05439997       5.53687429       8.23828888    
 O   -10.5884781       2.77800679       3.07031536    
 H   -10.0573092       2.85947728       3.87728000    
 H   -10.3382683       1.94399047       2.67853212    
 O   -1.59659350       3.92838931       2.20722342    
 H  -0.660591722       3.83979297       2.04546833    
 H   -1.71868002       3.87358022       3.16903400    
          69
 Energy    -249.24949181007182     
  O     16.64955895      9.18662597    -17.09414737
  H     17.17448264      9.40011272    -16.31132880
  H     16.68407250     12.29781960    -17.42710638
  O     14.82620304      9.23018926    -11.30511836
  H     15.97612640      8.56696836    -16.78865666
  H     12.84639302     11.99215125    -18.23916344
  O     16.86537709     15.36857259    -12.60951348
  H     14.54504273      8.43153861    -10.84185580
  H     14.24258386     11.96405807    -17.56931423
  O     14.69019390      7.74447844    -15.60188415
  H     14.04113427      9.58314879    -11.74746490
  H     17.96245207     12.47202135    -11.91779251
  O     13.87408916      6.73805073    -10.41809051
  H     16.19688770     14.96189060    -12.02763051
  H     18.08410195     13.91531022    -12.44765873
  O     15.10188292      5.61136343    -12.56814396
  H     16.99202168     16.26168979    -12.30143228
  H     13.95418492     12.44996937    -13.05862748
  O     15.54948660     11.69492372    -14.05890977
  H     14.04653390      7.06466738    -15.36822141
  H     12.92349110     13.40021554    -13.64574446
  O     12.56591771     10.18205238    -12.69257711
  H     15.28459709      7.81903525    -14.83988947
  H     17.00715460     10.64378900    -14.48067078
  O     16.33303873      8.02948023    -13.36139686
  H     14.34227043      6.24436034    -11.11548611
  H     18.53836458     10.63780914    -14.65072868
  O     19.67606545     12.16551364    -14.67002915
  H     13.88200468      6.19155649     -9.63741665
  H     12.49202203      6.46032234    -13.75129945
  O     13.54654531     10.22473270    -15.25935845
  H     14.42056913      5.54597245    -13.24887197
  H     12.26696927      5.27838871    -14.72380887
  O     15.94152362     11.77090134    -17.73431005
  H     15.70102202      6.31098865    -12.86255435
  H     16.70437149     14.11085647    -15.62158562
  O     13.28377634     11.99054511    -17.39226917
  H     15.65380516     12.56747049    -14.46317965
  H     16.29368577     14.73417795    -14.25004819
  O     18.54247889     13.06693337    -12.41116063
  H     14.87397689     11.19820171    -14.54239376
  H     15.96583303     10.71607339    -11.13087436
  O     13.14932042     12.93027895    -12.82905476
  H     12.80911598     10.12006518    -13.62948343
  H     16.16284662     11.60802672    -12.35675529
  O     17.76617503     10.06317980    -14.63674967
  H     12.47231573     11.12673032    -12.52445318
  H     14.07473641     14.28699947    -15.33189829
  O     12.91929500      5.90903691    -14.43131646
  H     15.86294225      8.49268496    -12.65390639
  H     13.07175706     13.40011996    -16.08199059
  O     15.95994779     14.26630793    -15.02733729
  H     16.99969690      8.63560974    -13.70750442
  H     11.97128891      8.40078702    -12.47551756
  O     16.40435339     11.52515718    -11.42122208
  H     20.61429323     12.05507205    -14.54136448
  H     12.43913624      7.19660583    -11.63357897
  O     13.14194018     14.03551733    -15.35974504
  H     19.31293992     12.50556220    -13.83081067
  H     15.53123254     13.15738667    -10.97706698
  O     11.92175510      7.43830402    -12.41176365
  H     13.34356592     10.73637614    -16.05218523
  H     14.25997443     13.80256362    -11.55805071
  O     15.08879370     14.00735205    -11.10568284
  H     13.89877720      9.36078862    -15.51410286
  H     18.67139651     13.82922336    -17.26547527
  O     18.10729224     13.39686424    -16.62782789
  H     16.19201297     10.84227167    -17.60936435
  H     18.69251658     12.95681781    -15.99205504
          69
 Energy    -249.24937449416439     
  O     10.10226832     10.91853351     -9.63494735
  H     10.50785013     11.46839835    -10.32853481
  H     13.85634785     12.35212856    -15.04387944
  O     13.11056601      8.93797697    -17.07845079
  H      9.23173571     11.27278812     -9.47492353
  H     15.64157999      8.39307914    -13.42211888
  O     10.99405107      8.57192288    -11.05557186
  H     12.20697455      8.63809273    -16.91244307
  H     16.87122975      9.33054902    -13.32500378
  O     14.05659964      8.38775899    -14.54767549
  H     13.03772284      9.87860919    -17.27630279
  H     13.60966234     13.94320327    -10.00955042
  O     14.30014822     12.94107865     -8.50523866
  H     11.88771330      8.49508602    -10.69417023
  H     12.47369773     13.74711966    -11.03197236
  O     12.59686373     11.79349908    -17.55328924
  H     10.56458016      9.26411805    -10.53954050
  H     13.64964794      9.64318364    -10.91945310
  O     11.46992788      9.10820247    -13.69574611
  H     13.20431212      8.53570180    -14.11399232
  H     14.57740279      8.75965165    -10.07814856
  O     13.89931889     11.12463346    -11.95829090
  H     13.86799103      8.41790317    -15.49871153
  H     18.35800321     11.08738584    -14.60523134
  O     12.63846656     10.82568907     -8.37436200
  H     13.67511308     12.19974661     -8.40693889
  H     17.39940623     11.75642730    -13.58750587
  O     16.85787380     13.10376401    -12.65139553
  H     14.40489580     13.32942195     -7.64085854
  H     11.72202135     12.35943183    -14.52480659
  O     11.43028606     12.29411518    -11.57832189
  H     12.85214035     12.26663280    -18.34226923
  H     10.44170144     11.63941013    -15.01922242
  O     13.27657230     13.12071078    -15.18518128
  H     12.83755827     12.36094918    -16.80436967
  H     16.27382521     10.86562296    -10.14250878
  O     16.40744715      8.61248902    -12.87683584
  H     11.23491608      8.87912385    -12.78493377
  H     15.57529227     12.16407802     -9.59224226
  O     13.23393941     14.30573186    -10.81979704
  H     11.33781496     10.05819033    -13.80734569
  H     15.78822522     11.02924989    -14.57424062
  O     13.64797066      8.96420571    -10.22682580
  H     14.21342662     11.07922138    -12.86832334
  H     14.55333339     10.08834333    -14.69692297
  O     17.55155050     10.95135195    -14.11602589
  H     14.63713635     11.45208996    -11.42714684
  H     10.78200872     11.29131746    -17.10741234
  O     10.94919487     11.86146936    -14.22615548
  H     13.01550074     10.10103604     -8.89123310
  H     10.00452983     10.06757201    -16.58944882
  O     16.08088334     11.79384631    -10.32790817
  H     11.71012444     10.87077067     -8.63291460
  H     17.13497181      8.40817893     -9.81953846
  O     14.82523145     11.01375644    -14.63047778
  H     16.10437990     13.66251458    -12.87288650
  H     16.46774449      8.80328861    -11.15881180
  O      9.96769952     11.03021086    -16.65829641
  H     16.68318135     12.74144487    -11.77075317
  H     14.06542294     14.60199662    -12.33293647
  O     16.47279334      8.97898604    -10.19934337
  H     12.29970384     11.86707790    -11.64033364
  H     14.68157567     15.67711704    -13.25059733
  O     14.51776845     14.73907360    -13.18389543
  H     11.05929370     12.24670246    -12.47003493
  H     10.79027193      8.47930161    -15.22228398
  O     10.49760625      8.27357493    -16.12697548
  H     13.60985032     13.79854922    -14.58705101
  H      9.99437209      7.46531299    -16.07526040
          69
 Energy    -249.24925942615397     
  O     15.69539804      9.52077313    -16.48149763
  H     16.22855444     10.32265457    -16.49775754
  H     16.84857986      5.69340584    -11.91523475
  O     15.10278006      5.26434838    -12.58560685
  H     16.15638548      8.90622411    -15.88845694
  H     19.57104841      9.15864789    -15.71082645
  O     16.91964005     13.29208806    -11.29058701
  H     14.43513332      4.75902819    -12.12854195
  H     19.25233680      8.74494271    -17.15302376
  O     19.42866364      8.33838829    -14.06783408
  H     14.72211793      6.14245757    -12.75643538
  H     16.00689282      7.86332209    -14.02788472
  O     14.40817198      6.01762134    -16.92522080
  H     17.75729734     13.05601773    -10.87141186
  H     16.74509685      6.85595186    -14.92120244
  O     17.23304847     10.56774644     -8.72844950
  H     16.92500074     12.84769710    -12.14926286
  H     12.51353117      8.90197607    -16.14747937
  O     14.28446677      7.80688337    -13.23396152
  H     18.48920838      8.17645388    -14.25095864
  H     14.05829363      8.93507948    -16.08118948
  O     17.02495062     11.49825110    -13.47246852
  H     19.78912135      7.48819263    -13.78836460
  H     17.16751327      9.13096941     -9.84344871
  O     19.90582028      5.73158816    -13.20987405
  H     15.00061786      6.43663365    -17.56929579
  H     16.34225631      9.00642034    -11.13890724
  O     18.91935007      5.28158617    -15.87328771
  H     13.87412243      6.73063975    -16.56209889
  H     19.28785134     11.39726324    -10.85006119
  O     16.26543169      5.05625753    -15.18158570
  H     16.42427164     11.03829627     -8.96696805
  H     20.14559200     12.31922906     -9.95366116
  O     17.70678595      6.04532596    -11.65319874
  H     17.95745128     11.12387737     -9.04043371
  H     18.38713422      9.54232546    -11.52359645
  O     19.36939770      9.51715781    -16.58603042
  H     14.41566383      8.64029304    -12.75922596
  H     19.32406279      9.53433989    -12.75220869
  O     16.76518457      7.77374883    -14.61735046
  H     13.81468156      8.00654816    -14.05475609
  H     14.35049000     12.55047122     -9.50203171
  O     13.26869923      8.46451418    -15.76257901
  H     17.76738102     11.03955499    -13.05399669
  H     15.63290289     12.54401013    -10.37057007
  O     17.08202121      8.61359048    -10.65827284
  H     17.21922282     11.56437433    -14.41432721
  H     19.54106150      6.67745688    -18.62093261
  O     19.24525259     12.08483230    -10.16353500
  H     19.12154106      5.80244331    -12.63526273
  H     18.99940468      6.40941035    -17.20038900
  O     18.99377820     10.09543843    -12.03740430
  H     20.55119212      5.22023007    -12.72995792
  H     14.90395686     10.70487005    -11.27509456
  O     14.99608611     11.97421228     -9.90187615
  H     18.00272302      5.02446877    -15.69548731
  H     15.67275064     10.60228796    -12.61950652
  O     18.99296571      7.04927183    -17.93429980
  H     19.33857608      5.36259253    -15.00954294
  H     18.29390144     10.84711056    -16.40093191
  O     15.09102682     10.11615175    -12.01696796
  H     15.56423096      5.27829735    -15.81498461
  H     17.87456059     12.29182403    -16.76933506
  O     17.62907633     11.54147255    -16.23524692
  H     15.85454089      4.94537927    -14.31729141
  H     16.04690726      8.30522064    -17.92672100
  O     16.21022370      7.49795095    -18.43001603
  H     17.52818425      6.89496253    -11.22870535
  H     17.15240254      7.31524994    -18.32917075
          69
 Energy    -249.24879645820130     
  O     16.51015046      8.19071424    -15.32702410
  H     16.85820870      8.31049285    -14.43638659
  H     17.43551303      8.83545596    -16.67360082
  O     14.57636084     11.35210857    -15.84775632
  H     15.55892868      8.34188136    -15.26419848
  H     15.36117898     12.52360968    -11.50004550
  O     19.03918739     12.75852858    -11.66357280
  H     14.10569782     10.54690146    -15.60453332
  H     14.29485608     12.32089670    -10.40113057
  O     14.63439704      9.35255477    -12.34999125
  H     15.36598362     11.36747748    -15.28594054
  H     17.89962191     16.27720581    -14.01183342
  O     17.49545826     10.67873987    -10.54059964
  H     19.51086418     12.30558101    -12.37450272
  H     18.28913155     17.69984179    -13.55628397
  O     17.48959678      9.07123704    -12.72812358
  H     19.46029458     13.62643019    -11.57596346
  H     20.06197418     11.63906627    -14.63267676
  O     16.02248926     11.20772228    -18.24377408
  H     15.55681149      9.07152826    -12.35789558
  H     21.14125143     12.46085933    -13.86788118
  O     18.49474973     14.10628693    -16.76337455
  H     14.61973799     10.19894167    -11.88581364
  H     16.27431623     12.89276335    -18.54269472
  O     20.26123430     15.19088257    -11.92857719
  H     16.61634025     11.06892582    -10.47242985
  H     16.19202518     14.11912395    -19.48370738
  O     18.88479735     11.48498294    -15.99184200
  H     18.09844484     11.40103333    -10.76601127
  H     19.84701863     15.16068991    -16.11180390
  O     13.74562595      8.85065062    -14.85768455
  H     18.41906187      8.92350073    -12.95709491
  H     19.91945466     16.20214866    -14.97671439
  O     17.94081407      9.24490765    -17.39812919
  H     17.50384969      9.55304701    -11.88454482
  H     17.46184723     14.70943784    -15.35922773
  O     14.89261919     11.85122622    -10.97751914
  H     15.43407681     11.20054476    -17.47541317
  H     15.94932850     14.86932181    -15.15613506
  O     18.63286764     16.81770844    -13.67470843
  H     16.68024758     10.52366823    -18.07802948
  H     21.50600818     14.65421618    -14.60363239
  O     20.56185177     11.69116842    -13.80460310
  H     18.70021660     13.17962804    -16.57489358
  H     22.92424736     14.30875497    -14.09039611
  O     16.37857636     13.86116159    -18.58528179
  H     17.83174002     14.10878057    -17.46543794
  H     20.93858271      8.56433131    -12.91215730
  O     20.46488630     15.65883994    -15.55815530
  H     20.95046050     14.89080948    -12.53443527
  H     20.42243913      9.91528933    -13.43442774
  O     16.80364960     15.04758132    -14.73588860
  H     19.71267224     15.80250517    -12.43492662
  H     17.01023933     10.58645931    -13.70784494
  O     22.00103678     14.10213932    -13.97145992
  H     18.74022483     10.71898107    -16.55901799
  H     16.69361547     12.10927456    -13.60225714
  O     20.17095870      8.99015700    -13.28631680
  H     18.13052737     11.50202710    -15.38022023
  H     14.48115286     13.24426641    -16.07337756
  O     16.82267717     11.38148980    -14.22219347
  H     13.96481676      9.03140648    -13.92557739
  H     15.15445574     14.17440949    -17.09322249
  O     14.69964703     14.17034320    -16.24171312
  H     12.98695365      8.27356573    -14.85560408
  H     16.57125548     14.12836382    -13.18845037
  O     16.50795031     13.50523449    -12.45266769
  H     18.33712952      8.53091133    -17.89030422
  H     17.40660970     13.33155296    -12.13237188
          69
 Energy    -249.24869813798659     
  O      1.60954670     -1.07024788      2.94652092
  H      2.45622823     -1.41027698      3.22593051
  H     -2.64830882      4.89698008      0.77465547
  O     -3.15945020     -0.12153428     -3.45300628
  H      1.65323657     -0.98621308      1.97681901
  H     -2.60587339      0.21627574      4.98826876
  O     -0.84210358     -2.19711979      4.02065001
  H     -2.30609775      0.18215173     -3.10292731
  H     -1.31906621      0.80966075      5.57086685
  O     -4.52933801     -0.04685304     -0.94766601
  H     -3.22255275      0.21090398     -4.34518186
  H     -0.35044078      3.70164013      0.97504116
  O     -2.55645753     -2.83534545     -2.57603115
  H      0.02553311     -1.92320875      3.69890767
  H      0.66097276      2.76309950      1.66896906
  O     -0.33377819     -1.99291114     -1.16819485
  H     -1.13296952     -1.47461069      4.59947276
  H     -1.96090342      1.55638117     -1.06048895
  O     -2.72929747      3.19495647      3.79671942
  H     -4.30093701     -0.93263774     -0.62653725
  H     -3.40092646      1.31788039     -0.55017487
  O     -3.77987993     -2.33760764      3.85034198
  H     -4.27492167     -0.03645498     -1.87841535
  H     -1.92264963      1.07146467      0.99184864
  O      0.61534843      1.55821243      3.02268679
  H     -3.10603285     -2.91318818     -1.78350000
  H     -0.88710587      0.93739463      2.16244749
  O     -0.82004490      0.58138735     -2.10243451
  H     -2.85077502     -2.03082779     -3.01758107
  H     -4.57215782     -2.84448727      0.55158223
  O     -3.81232772      0.54515186      3.48392140
  H     -0.67859926     -2.12987901     -0.27286827
  H     -3.06321601     -2.51729121      0.45531953
  O     -2.24103697      4.10343095      1.11446670
  H     -0.96842240     -2.41797424     -1.76212178
  H      1.74390966      0.16114699     -0.17835607
  O     -1.79441061     -0.02081549      5.45332586
  H     -3.28060550      2.40725969      3.71390170
  H      1.16016187     -1.25487690     -0.31009425
  O      0.52027313      3.30210358      0.87677485
  H     -2.59234197      3.53165204      2.90290681
  H     -1.36041703      2.87576330      4.82534159
  O     -2.63664712      1.90494972     -0.46292437
  H     -3.84344812     -1.37451362      3.82532412
  H     -0.42260409      3.20502939      6.01430140
  O     -1.67004904      0.54345159      1.75809867
  H     -2.84666697     -2.52469737      3.99480290
  H      1.15772384      2.40906772     -0.45351727
  O     -3.87301204     -2.60523375     -0.06864531
  H      0.31893270      1.87699541      3.88523825
  H      2.24560439      2.26492329     -1.54493643
  O      1.72174213     -0.70197082      0.24924770
  H      1.02749571      0.69253353      3.13624968
  H     -1.30691687     -2.42964700      2.20351009
  O     -0.58561761      2.56384637      5.32838651
  H     -0.00516865      1.07023945     -1.93111907
  H     -1.57049573     -1.16864575      1.39149226
  O      1.48984242      1.82807933     -1.16138668
  H     -0.66825864     -0.31665209     -1.77052611
  H     -6.35099091     -3.52527641      2.36119438
  O     -1.51309282     -2.13380320      1.31043868
  H     -4.58889708      0.44340366      2.91377469
  H     -5.02595548     -2.80916409      2.71698121
  O     -5.70673571     -2.90749422      2.02682385
  H     -3.03639411      0.50766887      2.90158963
  H     -5.51624700      0.08548007      0.73284372
  O     -5.77523953     -0.04127954      1.65333730
  H     -2.46542906      3.38780258      0.49583254
  H     -5.91859027     -0.99065449      1.75624327
          69
 Energy    -249.24867947959225     
  O     14.68794974     10.57830012    -15.52799206
  H     15.42093689      9.97371914    -15.69669009
  H     13.22449344      9.89380825    -14.70484367
  O     17.39578816     10.17129564    -13.17188919
  H     15.05547923     11.28383593    -14.98171001
  H     16.56702112      8.15220927    -10.85470536
  O     14.47303024     10.51886967     -9.51900710
  H     17.18778945      9.63750075    -13.95289812
  H     16.81070877      9.48892374    -11.64163443
  O     11.27132802      7.03418308    -13.71776082
  H     16.97277571     11.02857142    -13.30595979
  H     14.09392796      7.29916061    -11.94627328
  O     19.31542464      5.39597302    -13.82484640
  H     15.18075779      9.99907069     -9.93618552
  H     14.98964860      8.55016911    -12.04199114
  O     12.76020609      5.14851429    -14.97555806
  H     14.76767392     10.72453190     -8.63521844
  H     15.01144327      4.10628066    -12.90251169
  O     16.68131084      6.29985203    -10.90050125
  H     11.58579857      7.91699272    -13.95285569
  H     13.58615634      4.26761676    -13.46905578
  O     11.87642056      9.57186784    -10.26342887
  H     11.22202517      7.00723059    -12.75448796
  H     19.77010351      8.23193830    -12.31994821
  O     19.54920384      7.75437884    -15.45596244
  H     19.51382254      5.78795388    -12.96595125
  H     19.10905783      9.46959692    -12.97398202
  O     14.02209106     12.30315092    -11.69835448
  H     19.41731937      6.10704380    -14.46948602
  H     14.82364596      7.21320072    -14.02792152
  O     11.45591254     11.35170237    -12.43622430
  H     12.17157057      5.79345124    -14.54398660
  H     14.32477788      6.17020330    -15.05346324
  O     12.60664239      9.51342610    -14.06422688
  H     12.24776347      4.72005637    -15.65563339
  H     15.20130305     12.43596165    -12.95261695
  O     16.35008756      9.09325436    -10.88669799
  H     16.71153558      5.83351315    -11.75109762
  H     16.06673627     13.36578255    -13.83661581
  O     14.31824300      8.04764687    -12.51540045
  H     15.78403906      6.15593388    -10.57403069
  H     16.27798574      7.93851084    -15.36090431
  O     14.07571902      4.00352186    -12.68055843
  H     11.62888388     10.21624009    -10.93820624
  H     17.75822834      8.34234902    -15.61985630
  O     19.88616485      8.89499375    -13.01149566
  H     12.74414548      9.84328363     -9.94116271
  H     19.94056338      6.39643058    -10.47263997
  O     15.08785422      6.70957954    -14.81330955
  H     19.76407750      8.19824753    -14.61547755
  H     18.49483040      6.53273106    -10.98755201
  O     15.86288893     12.45001065    -13.66722633
  H     20.27455197      7.92503186    -16.05131561
  H     11.46867473      7.92490932    -10.59510268
  O     16.87179046      8.69507802    -15.47495655
  H     13.11482385     12.09591786    -11.95493049
  H     10.48951943      6.75584455    -10.33505119
  O     19.42266662      6.69954038    -11.21530161
  H     14.19745076     11.78732828    -10.90247021
  H     16.18454941      5.54471263    -13.92820012
  O     11.26824418      7.00056637    -10.82844464
  H     10.68187471     11.74623363    -12.82836017
  H     17.58825973      4.96648718    -13.57953712
  O     16.65641757      4.95863762    -13.32043535
  H     11.80862072     10.71475171    -13.08301475
  H     12.95588980      6.19101839    -10.62887547
  O     13.87692684      5.93243819    -10.75339113
  H     13.15719113      9.01826144    -13.43744855
  H     13.88192199      5.17431391    -11.36108566
          69
 Energy    -249.24821121662947     
  O     -2.38100193      0.93328436      3.04146931
  H     -2.77741509      0.89995450      3.92465272
  H     -2.98710275     -3.53910639      6.33791694
  O     -2.61350068      3.35563191      6.63446617
  H     -2.28017055      0.02570363      2.72505052
  H     -0.71037675     -1.11191754      6.65342218
  O      1.58412126      0.60227718      1.52780961
  H     -3.05079587      4.06060519      7.10386494
  H     -2.07453773     -1.56009585      7.23833215
  O      3.56660049     -0.90040245      2.74752641
  H     -2.14068377      3.76365082      5.88667098
  H     -1.77758073     -4.10065554      4.43683122
  O     -1.97607057     -1.71915177      2.23171546
  H      1.12435478      0.58387187      2.38500113
  H     -3.28264708     -3.95385026      4.13828290
  O     -0.04954847     -1.33093421      0.27277481
  H      1.07053521      0.03221226      0.94319916
  H     -1.11911760      2.37670449      7.34863824
  O     -1.76771360      3.33374771      1.91813050
  H      4.43328369     -0.80409292      2.35828131
  H     -0.72722401      0.90574991      7.57857006
  O     -1.25735764      4.36780995      4.53333622
  H      2.97838372     -0.29618292      2.26656794
  H     -4.44163536     -1.99201338      6.04362052
  O      1.57708210      4.41143010      4.28053068
  H     -1.37458688     -2.22777175      2.79629313
  H     -4.45552241     -0.58016335      5.43513514
  O     -0.26751761     -3.31015725      3.75169073
  H     -2.85788448     -2.08866986      2.37076221
  H     -0.64944647      0.84392930      3.73385265
  O     -4.41790249     -2.79312024      3.02821571
  H     -0.36786935     -1.58250827     -0.59076689
  H      0.68050712      1.14686153      4.53409796
  O     -3.23931782     -3.02598752      7.12674947
  H     -0.78984353     -1.45551758      0.88910739
  H      2.41325230     -2.39755172      2.22962271
  O     -1.51066411     -0.79041991      7.09445849
  H     -2.04156941      2.46246068      2.25299499
  H      1.24386162     -2.48233567      1.23034411
  O     -2.65820794     -4.28567586      4.79319895
  H     -2.43122501      3.60927292      1.29081338
  H      1.03227409      1.99651127      6.45603407
  O     -0.36994914      1.80204839      7.54513076
  H     -1.49144041      4.11263254      3.63326990
  H      1.72965864      2.88447021      5.36337405
  O     -4.84693719     -1.45920592      5.34766378
  H     -0.29749831      4.46627805      4.54000909
  H      3.38959068     -0.58210833      4.68026140
  O      0.25635020      0.55827225      3.89203819
  H      1.48795609      4.05899301      3.37650724
  H      2.83858115      0.44445691      5.69801664
  O      1.73338102     -2.99071480      1.88736797
  H      2.16781488      5.15799049      4.22881906
  H      1.36624920      2.47380430      1.59627300
  O      1.68544056      1.99723153      5.73819004
  H      0.08481030     -2.80832768      4.50067435
  H      0.12778679      3.38243318      1.73406964
  O      3.20279194     -0.44779337      5.61729073
  H      0.45265675     -3.37610407      3.10931327
  H     -3.16289643      1.71240080      6.00273114
  O      1.08963615      3.37141085      1.82010948
  H     -5.24533788     -3.09170839      2.66114023
  H     -2.61557055      0.26522147      6.12591035
  O     -3.24081077      0.82236140      5.63768671
  H     -4.63415157     -2.28104253      3.82876139
  H      1.61233189     -1.36507064      5.81185008
  O      0.68351402     -1.53876640      5.60924144
  H     -3.45168393     -3.65730531      7.80888393
  H      0.45824884     -0.87147149      4.94161176
          69
 Energy    -249.24755987761787     
  O     13.64987303      0.82610650     -9.58892961
  H     12.92439509      1.14998574    -10.14675972
  H     13.37131020      7.78008297    -13.64721258
  O     11.73858729      1.92406746    -11.27099791
  H     13.28288067      0.13219885     -9.04596481
  H     11.11867381      8.64583936    -13.12032300
  O     12.89055877      4.00352426    -16.21551470
  H     11.68810658      2.77662779    -10.81614326
  H     10.17889467      9.86793937    -12.98207561
  O     17.36255792      2.75106536    -10.79038906
  H     11.08108459      1.95337226    -11.98260711
  H     12.32582652      6.22313343    -12.94720122
  O     11.67774562      4.47114592    -10.18680648
  H     12.51660956      3.11832993    -16.13994154
  H     12.94919109      4.80856506    -13.11080918
  O     10.17393768      2.22064039    -13.52012036
  H     13.53817300      4.06623275    -15.49852922
  H     15.08564015      3.72976645     -8.92745213
  O     13.61854974      1.35272704    -13.28311074
  H     16.77539242      2.78398727    -10.01240196
  H     14.83630335      2.20237455     -8.96298912
  O     14.35003005      3.96275854    -13.86282478
  H     18.25141035      2.64848534    -10.46077843
  H     12.66320762      1.24921717    -14.78743074
  O     14.84191114      7.51852866    -12.63958653
  H     10.89980705      4.94676557     -9.87318063
  H     12.06624938      0.52504225    -16.01411208
  O      9.90939918      4.99343735    -14.14430577
  H     11.86245009      4.80498427    -11.08167650
  H     14.24577938      6.21919292     -9.57876104
  O      8.77814200      6.67623867    -12.17929954
  H      9.90738958      3.11417440    -13.76951309
  H     13.35032206      4.95882519     -9.69586101
  O     12.43940719      7.83646939    -13.90979926
  H     10.66848948      1.88045414    -14.27554690
  H     16.31671049      1.27125383    -11.45480502
  O     10.36816992      9.00781557    -12.61686309
  H     14.39904793      0.99427310    -12.83640053
  H     15.07465578      0.56153455    -10.88163532
  O     12.22906958      5.29856583    -12.69111983
  H     12.96878072      1.55502854    -12.59556216
  H     16.55193206      4.26312579    -11.59165242
  O     15.51550074      2.87077705     -8.81142621
  H     14.99588368      4.28968259    -13.22274518
  H     15.32562287      5.04636817    -11.08162699
  O     12.03879430      1.34506425    -15.52734519
  H     14.18727692      3.03068368    -13.66197587
  H      8.73044604      6.09536833     -9.05963243
  O     14.26396425      5.25429602     -9.57539276
  H     15.35841252      6.71189358    -12.53199798
  H      9.16350282      6.27315381    -10.53504153
  O     15.65843422      0.59358521    -11.65060901
  H     14.61605258      7.79308530    -11.74103951
  H     13.09527887      8.13117159     -9.95771886
  O     15.92179175      4.95095446    -11.83860434
  H     10.69426404      5.00317375    -13.57287243
  H     14.39059781      8.74559585     -9.37575193
  O      9.49361590      6.12544774     -9.62978207
  H     10.20373939      5.42564629    -14.95268808
  H     11.38722895      6.64122074    -17.03557821
  O     14.06449131      8.03883012     -9.92672481
  H      9.00640799      6.06783467    -12.89381758
  H     12.03814129      5.49668722    -16.22802122
  O     11.54757497      6.33507601    -16.14696871
  H      9.20907965      7.51343655    -12.39272656
  H     10.76344234      7.55052530     -9.79939293
  O     11.37801071      8.23837076    -10.08018669
  H     12.28743226      7.36330752    -14.73810273
  H     11.01570887      8.59899672    -10.89909898
          69
 Energy    -249.24671372851486     
  O     -0.83354765     -0.20242084      2.78549585
  H     -1.48637450      0.41398327      3.13454653
  H      3.34728495      4.61900462      1.20077766
  O     -4.49763480      1.76417192     -1.80044030
  H      0.03473634      0.13091627      3.05753740
  H     -2.79366617      3.86109337      0.16506028
  O     -3.72293078      4.40015364     -2.66720747
  H     -4.14646961      1.85865462     -0.90022028
  H     -3.03395365      4.77908055     -1.05690354
  O     -2.73367621      1.95232508      3.40626223
  H     -5.36492504      1.37534933     -1.71403854
  H      2.41545828      4.00306540      4.85526208
  O     -0.12203276      0.58809279     -2.39016018
  H     -3.14179421      4.25574733     -3.42318485
  H      2.32128105      4.17153924      3.32080931
  O      0.31556491      3.24459344     -3.20436985
  H     -4.10809655      3.53730511     -2.46715736
  H      0.04953397      3.10512666      1.60219933
  O     -1.33272980      6.06501057      1.97656335
  H     -2.00617659      2.59928263      3.39528348
  H      0.35922988      3.56633844      0.14419563
  O      1.70256481      0.90309015      3.31685876
  H     -3.20129083      2.08051866      4.22749773
  H     -3.27487045      2.06242223      1.60296250
  O     -2.53054261      1.09346872     -3.78807108
  H     -0.50932264      0.48094646     -1.50738755
  H     -2.50718541      1.50757587      0.39392105
  O      2.77647069      1.41568541      0.70474021
  H      0.79831722      0.31363894     -2.30407135
  H     -0.96263132      0.08677265      1.02271006
  O      2.60376164      0.14203985     -1.74015450
  H      0.14163960      2.34004661     -2.90577200
  H     -0.48496798      1.37389969      0.32261874
  O      2.87208395      5.04390218      1.92499372
  H     -0.37624595      3.45801709     -3.84242794
  H     -0.91748353      4.60739823      2.87076302
  O     -2.58963017      4.73261884     -0.19690350
  H     -0.54587299      6.46005064      1.58283596
  H      0.17547509      3.76960206      3.63412549
  O      1.95167789      3.69047219      4.08315508
  H     -1.88059025      5.75400926      1.24252027
  H      0.77223010      6.18058914     -0.08827659
  O      0.41062267      2.82045080      0.75318099
  H      2.21211519      0.89195846      2.49762203
  H      1.25321475      7.63346073      0.13872760
  O     -3.24469415      2.08706966      0.63912190
  H      1.81541429      1.79364833      3.66882421
  H      0.14796194      4.40212263     -1.85072788
  O     -1.00242972      0.56488766      0.18136826
  H     -3.19509758      1.19490436     -3.09549628
  H     -0.91376899      4.87831360     -0.80652403
  O     -0.68323598      3.72383608      3.19554529
  H     -1.72876827      0.76229496     -3.36192725
  H     -2.14562899      3.60693142     -5.73599375
  O      1.08882879      6.80723805      0.58627310
  H      1.93383370      1.89548984      0.75735675
  H     -2.20699395      2.63346789     -4.53272657
  O      0.02581662      4.91588014     -1.04200279
  H      3.44120873      2.09357991      0.53346192
  H      3.79952879      3.49416913     -1.03274811
  O     -1.97571220      3.54251573     -4.80012534
  H      2.65027597      0.47911154     -0.82934682
  H      5.14981134      3.85395269     -0.37584344
  O      4.23228041      3.68044092     -0.18084814
  H      3.12162119     -0.65877887     -1.76250768
  H      2.17467539      3.14060786     -2.85559500
  O      3.03098439      2.88214157     -2.49284836
  H      2.30290779      5.71053571      1.52113038
  H      2.98468720      1.92374166     -2.38593372
          69
 Energy    -249.24650616821734     
  O     11.82289255      7.61537329     -9.26501582
  H     11.44023588      8.45385946     -9.57629097
  H     12.96766729     12.64341177    -13.09210543
  O     13.06594952     10.90377329    -17.03144485
  H     11.09246650      7.04167239     -9.04934438
  H     17.00429626      9.87799465    -10.29473103
  O     13.70580186      7.94918433    -11.37555999
  H     13.27930532     11.24134844    -17.89709075
  H     16.91026463      9.56146541    -11.80539218
  O     14.44728857      9.77473287    -14.86048798
  H     12.53023160     11.58583504    -16.58821430
  H     15.32728401      8.04629211    -12.40938833
  O     13.02193201     11.26074557     -6.71790211
  H     13.85583628      8.86722893    -11.10002733
  H     15.66390723      8.80502471    -13.70596367
  O     11.42319143     12.63989497    -15.72020578
  H     13.13618389      7.57174005    -10.69676781
  H     12.22052003     15.10770110    -10.21988450
  O     12.21090958      8.67739705    -13.63314043
  H     14.13545424     10.14972258    -15.69305637
  H     12.13130963     13.61287130     -9.84998571
  O     13.75714742     10.63595859    -10.64740256
  H     13.67491085      9.35089253    -14.45576827
  H     17.81349244     13.00549660    -12.46993609
  O     13.94107018      8.69413635     -7.67823307
  H     13.16856449     11.57664007     -5.82977497
  H     17.14039396     11.81467525    -11.74099894
  O     15.37910545     13.88457027    -10.06636811
  H     13.79160910     11.54256890     -7.24698039
  H      9.89598097     10.77648545    -13.61279661
  O     11.09192204     10.07924156    -10.24549061
  H     10.58603598     12.16534910    -15.64496047
  H     10.99998199     11.56789877    -12.86166282
  O     12.08051604     13.02328422    -12.99142869
  H     11.63986584     12.93774904    -14.82724815
  H     15.31575657     12.58947896     -8.89137811
  O     17.23972361     10.21164153    -11.16659365
  H     11.62912797      9.37844095    -13.30880683
  H     15.76868253     11.14626294     -8.41224695
  O     16.06025846      8.42137287    -12.91428360
  H     12.65673809      8.29845074    -12.86496149
  H     15.41445393     12.18722637    -12.86404737
  O     12.51792991     14.24036683    -10.48546278
  H     14.06550728     11.08382350    -11.44585067
  H     14.60047715     11.14549742    -13.70906725
  O     16.98362543     12.70416544    -12.11189598
  H     14.18723384     11.04596042     -9.88984141
  H      9.79497371     10.11956956    -15.71763739
  O     10.47159633     10.75608298    -12.83913890
  H     13.53013312      9.46761939     -7.27293390
  H      8.36249046     10.70713220    -15.75194267
  O     15.07850969     11.81766817     -8.35617242
  H     13.23903709      8.24207325     -8.16038092
  H     15.58272681      9.05320029     -8.26764266
  O     14.52996731     11.84849163    -13.04893593
  H     14.47194019     14.03258360    -10.35999232
  H     17.09680435      8.90727906     -8.00644383
  O      9.22220462     10.82046372    -15.35682635
  H     15.90000727     13.60682575    -10.82995619
  H     11.08553416     11.66039879     -9.21493973
  O     16.45903738      9.38493435     -8.53101379
  H     12.02806869     10.31654110    -10.35593098
  H     11.86304850     12.10202345     -7.97011073
  O     11.40420706     12.44300684     -8.74722025
  H     10.67468822     10.25638423    -11.09901927
  H     11.75884871      9.52833899    -16.61515774
  O     11.06348830      9.00584703    -16.19618938
  H     12.11336736     13.53498121    -12.17488185
  H     11.44424284      8.67578394    -15.37086215
          69
 Energy    -249.24627315402273     
  O     10.86173186     12.33985403    -13.13738380
  H     11.20787814     12.30552365    -14.03500511
  H     14.13052579     12.01629365    -12.79024488
  O     14.35678347      9.01377255    -17.08956710
  H     10.98870530     11.45231850    -12.77208679
  H     16.48551180      8.54399144    -11.49461502
  O     11.58456411      9.90102493    -11.95494174
  H     14.58766871      9.94502745    -17.20357000
  H     16.35019746      9.17963091    -10.07138542
  O     15.29825217      8.87504630    -14.50820882
  H     13.40019982      8.99610839    -16.96145895
  H     17.00586305      6.55188824    -13.08053268
  O     12.73684900     11.95604520     -9.25853386
  H     11.23805125      9.72962959    -11.07163129
  H     16.02429834      7.70100094    -13.41478060
  O     14.98943026     11.79547090    -16.89526687
  H     12.50199757     10.19145160    -11.82212294
  H     13.37114490     14.46090309    -11.21500742
  O     12.62815735      8.18591318    -13.81883312
  H     15.70613582      9.74632786    -14.42440747
  H     14.30651217     14.02010743    -12.33643235
  O     13.31606946      8.06900322     -9.14854554
  H     15.04503466      8.77740305    -15.43790184
  H     14.67234582      6.72711961    -11.87600648
  O     14.10492458     10.84672469    -11.47404472
  H     12.12524110     11.21662602     -9.14597811
  H     13.24250898      7.05253343    -12.31356123
  O     11.14878147      9.62219513     -9.18986902
  H     12.27829153     12.63748386     -9.76680234
  H     17.38509118     10.82021410    -11.70063139
  O     16.52932102     13.57342791    -10.27530279
  H     15.39490164     12.41934578    -17.49269052
  H     17.35386416     12.34385924    -11.53671364
  O     14.16008259     12.64890274    -13.52646718
  H     15.59945897     11.69651644    -16.14507348
  H     15.82743885     12.37388862     -8.99530389
  O     16.44860038      9.37819508    -11.01159443
  H     13.53600637      8.49878429    -13.94073928
  H     14.42180195     11.94045834     -8.51818674
  O     16.35657117      7.13462738    -12.69602813
  H     12.19597390      8.75978812    -13.16751042
  H     17.02223043     11.52598591    -13.80178351
  O     14.28754208     14.51812616    -11.50589280
  H     14.17278494      8.36196396     -8.82067914
  H     15.61492732     11.97613919    -14.20547261
  O     13.76201800      6.75552978    -11.55820046
  H     13.47660167      7.56463424     -9.95972883
  H     13.20175034     11.92595699    -16.10579919
  O     17.68027809     11.64346324    -12.11371106
  H     13.82651564     11.24701992    -10.63991502
  H     12.06933150     10.94391960    -15.76702638
  O     15.36667322     11.77458419     -8.39510918
  H     14.90263554     10.32842991    -11.31288663
  H     15.70119091     10.08773131     -8.26782700
  O     16.38321463     11.47664983    -14.52631333
  H     10.47803184      9.27376033     -8.61023444
  H     16.32404580      8.88794048     -7.51164457
  O     12.41083588     11.82397262    -15.56107657
  H     11.91670121      9.02117343     -9.12914325
  H     11.29702849     13.37494840    -11.76372192
  O     15.85173834      9.12487148     -8.30485162
  H     15.73208902     13.94850287    -10.68826170
  H     10.82467667     14.47373661    -10.78856638
  O     11.53560225     13.85982413    -10.95467533
  H     17.06539376     14.31503268    -10.00402857
  H     10.82553620      8.74775599    -16.45444720
  O     11.63901539      9.15742721    -16.17214349
  H     13.45425087     12.40939284    -14.13820380
  H     11.90667252      8.71505880    -15.34825781
          69
 Energy    -249.24573476772008     
  O     13.65185545      5.66582356     -9.47353953
  H     14.01074056      6.44856949     -9.03903305
  H     12.63036637      8.72534498    -14.87036699
  O     15.37792716      8.03636176    -16.82421357
  H     14.39986597      5.23857164     -9.90866985
  H     16.60359559     10.19047746    -11.80375328
  O     18.30932184      8.41898603    -14.01842708
  H     15.00391894      7.95935705    -17.69806779
  H     17.53941425      9.17886503    -12.58320176
  O     15.24292661     11.55473994    -11.78164742
  H     14.66792434      8.35858331    -16.24145727
  H     14.08885691      8.54191719    -11.80654161
  O     11.10455805      8.10959517    -14.15118900
  H     17.73280456      7.70319573    -14.32292714
  H     15.51616038      8.50478259    -12.36576698
  O     18.35219324      3.56670710    -11.63837761
  H     19.12754435      8.00441767    -13.71716298
  H     12.20081355      6.14524737    -10.40857715
  O     11.89365593      5.39209931    -13.58144336
  H     15.11871171     11.51391023    -12.74835714
  H     11.54568095      5.99959591    -11.80369693
  O     17.05171053      7.29811943     -9.92386473
  H     15.41821447     12.46704130    -11.56727773
  H     21.39024597      7.02458725    -12.96848731
  O     13.55143919      9.71258827    -10.41857880
  H     11.28281453      7.17096053    -14.00825436
  H     20.14514948      6.65671956    -12.12524064
  O     18.81180248      4.77921398    -14.02463740
  H     11.02024475      8.50186708    -13.27421080
  H     14.54414659      6.51013682    -12.96761405
  O     14.99426337     11.30539668    -14.43582105
  H     18.49490935      3.92609490    -12.53264071
  H     15.06477875      5.16219864    -12.44609964
  O     13.56421233      8.94025078    -14.99796324
  H     18.68608213      2.67398376    -11.64246176
  H     16.59578277      9.51301332    -16.34739158
  O     17.03960554      9.33140968    -11.76793774
  H     11.62299166      4.56073969    -13.96294242
  H     17.67246447      9.67981972    -15.26981630
  O     14.61680457      8.19657789    -12.53477381
  H     12.86212758      5.36470095    -13.51065624
  H     16.24866266      6.82788799    -15.70391727
  O     11.48636444      6.47961891    -10.97028753
  H     17.12770083      8.03441543    -10.54911386
  H     15.94047096      6.00828512    -14.42038689
  O     20.44371022      6.92167975    -13.01391763
  H     16.36096194      7.55443541     -9.30152863
  H     19.15897766      5.13002725    -10.83744916
  O     14.61740166      5.57000105    -13.19994137
  H     12.64018147      9.66855654    -10.74014295
  H     18.71371243      6.48848934    -10.25709277
  O     17.09593661     10.17994816    -15.86216044
  H     14.01988524     10.42591517    -10.87272408
  H     10.14713268      9.31616229    -11.08503902
  O     16.65768407      6.35238200    -14.96955475
  H     18.08332726      5.22996331    -14.47109377
  H     11.14466186      8.13287517    -11.17007911
  O     19.46705247      6.02435243    -10.64516281
  H     19.46023778      5.46331219    -13.81674831
  H     16.36245879      5.72282008    -10.60598459
  O     11.02012135      9.07763067    -11.38620994
  H     15.79042842     11.06840376    -14.93339138
  H     16.74027129      4.30465049    -11.09685638
  O     15.99012418      4.88001173    -10.90396936
  H     14.33083856     10.65813894    -14.70377082
  H     14.31294043      8.72947679     -9.13375209
  O     14.75396784      8.13839628     -8.50076868
  H     13.99508669      8.71242004    -14.16126247
  H     14.59471110      8.49826628     -7.63165551
          69
 Energy    -249.24499255058896     
  O     -8.10264282     -3.17956067      5.42188089
  H     -7.47973056     -2.63418509      5.91874698
  H     -2.87768629      1.49250561      3.27202686
  O     -8.95555253     -2.59184137      2.11999905
  H     -8.87802734     -2.63659085      5.24037411
  H     -6.48435654     -1.12118177      2.86498158
  O     -7.22692632     -4.50413324      3.23704131
  H     -8.43131686     -1.83138924      2.42558910
  H     -7.23874205      0.17549151      2.40132628
  O     -4.71233450      0.80138633      0.74851707
  H     -8.45221385     -3.37834467      2.36504286
  H     -5.71074626     -1.73522471      7.54538385
  O     -7.42068476      0.61005801      5.50962925
  H     -7.50926979     -4.08533931      4.07201983
  H     -5.43520173     -1.54203449      6.03445267
  O     -5.06020969      5.33592773      1.88585408
  H     -7.19504204     -5.44334527      3.39445951
  H     -0.90091071      3.21504767      3.30219102
  O     -9.74407465      0.96956071      0.32536263
  H     -4.84773143     -0.05193879      0.32358575
  H     -2.37582185      3.61334571      3.55649047
  O     -4.27868654     -1.45702494      4.74212582
  H     -5.60025120      1.16950934      0.88432669
  H     -8.70895979      1.90408402      4.96774410
  O     -3.51093337      3.37678664      0.78732196
  H     -7.06211533     -0.05173449      6.11150848
  H     -8.64456446      3.09074141      3.98538250
  O    -10.48954391     -1.89536132      4.29805905
  H     -7.43435095      0.18319513      4.63843073
  H    -10.61357024     -0.13272684      3.41790130
  O     -5.57852643     -1.72689349     -0.26463926
  H     -4.54095531      4.65651692      1.41971727
  H    -10.19510165      1.35222571      3.41069045
  O     -3.61554444      0.87295518      3.33142412
  H     -5.00300345      6.13152045      1.36376807
  H     -5.35867744     -2.40554518      1.47191462
  O     -7.26839685     -0.57627945      3.00801709
  H    -10.41562967      1.44208210     -0.15839172
  H     -5.92089630     -3.32138345      2.60945191
  O     -6.13931907     -1.58455770      6.70743717
  H    -10.09676076      0.82206158      1.22300232
  H     -8.78276558     -0.57883887     -0.25507510
  O     -1.79830050      3.00580559      3.05946441
  H     -3.93918035     -0.63155911      4.37263769
  H     -8.61703657     -1.95081398      0.40230325
  O     -9.25603301      2.48956376      4.42694962
  H     -4.51764926     -1.98895964      3.97136245
  H     -4.13981013      4.98351374      3.56170725
  O    -10.58185236      0.65162982      2.86278822
  H     -3.87251349      2.49754048      0.61819154
  H     -4.27264210      3.91931737      4.66837079
  O     -5.33899396     -2.57285104      2.42235795
  H     -2.80648818      3.25177340      1.43566700
  H     -4.81322161      1.85102460      4.30589547
  O     -8.28090475     -1.40015202     -0.31786528
  H    -10.10274131     -2.22630476      3.47003287
  H     -6.07899718      1.82971438      5.19969662
  O     -3.65921243      4.56112327      4.28457266
  H    -11.33152180     -2.33462911      4.39992417
  H     -8.09782338      1.53683803      0.90299214
  O     -5.41555896      2.41462295      4.81187670
  H     -5.30844795     -2.13666610     -1.08242229
  H     -7.26105229      2.42950391      1.88507929
  O     -7.23278177      1.64822543      1.31552750
  H     -6.53899443     -1.57975591     -0.33135225
  H     -6.52385825      4.42902979      2.62376085
  O     -7.07904244      3.77151482      3.06008220
  H     -3.97260379      0.77644099      2.43763637
  H     -6.50641243      3.32799878      3.70502871
          69
 Energy    -249.24497150607937     
  O     15.14377377      9.75511430     -9.76768277
  H     15.68166804      9.72702890    -10.57200588
  H     14.73299840      6.49016490    -12.92613375
  O     16.20158317     12.44678675    -11.98924060
  H     15.09410988     10.68163124     -9.50188650
  H     13.35253541      4.37365984     -9.04520798
  O     10.68908232     10.39129105    -11.89313085
  H     15.86923897     12.57902801    -11.09336670
  H     13.32125871      4.69863701    -10.55417942
  O      9.40765519      7.78793020    -11.82789007
  H     16.57856301     11.55716446    -12.00313817
  H     13.09806730     12.18944735    -11.95091153
  O     14.01212384     11.87818855    -13.56286984
  H     10.16310629      9.58286609    -11.91030410
  H     11.80006621     11.84898579    -11.20753403
  O     14.77577380     12.51388443     -9.46415700
  H     10.86155417     10.64064004    -12.81037138
  H     12.36696368     11.65957860    -14.20110112
  O     16.71792386      9.61505468    -12.09152054
  H      9.92417653      7.36598154    -11.11633638
  H     11.04253822     12.18688682    -14.79416747
  O     14.13717499      5.60124808    -15.60541016
  H      8.48794724      7.65089887    -11.61723447
  H     16.78854967      6.87444091    -10.75085472
  O     13.41235232      7.69298684    -12.70894486
  H     14.77928061     12.26180879    -13.11404203
  H     18.25731390      6.57342654    -11.14032800
  O     11.90174306      4.50405056    -14.54350300
  H     14.30750662     11.00627446    -13.86408117
  H     14.29289577      4.53881151    -12.49255215
  O     11.00777595      6.80020787     -9.90113355
  H     14.68398692     13.19254908     -8.80132088
  H     12.86738373      4.12551352    -12.89015375
  O     15.43215968      5.85206969    -13.14266342
  H     13.94476479     12.50141684     -9.97284617
  H     13.30920198      8.51820679    -16.49876946
  O     13.26209117      5.09272508     -9.66611853
  H     17.11413266      8.75026532    -11.92847108
  H     14.38002394      8.46426129    -17.61758485
  O     12.62791647     12.33244901    -11.11757552
  H     16.19958129      9.52741311    -12.90420965
  H     11.61514827      9.82110981    -15.48448732
  O     11.46195298     11.40292653    -14.44634929
  H     14.19522965      6.45695293    -16.04556670
  H     11.40180731      8.30027840    -15.32318673
  O     17.44256979      6.94099667    -11.47175578
  H     14.74598155      5.64134079    -14.85434046
  H     10.37332073      7.22115071    -13.30298565
  O     13.50561886      4.07733732    -12.17026561
  H     12.59616840      7.47118284    -13.17491402
  H     11.15578665      6.14705527    -14.15118192
  O     14.22248763      8.24426072    -16.70354759
  H     13.16490105      8.05504663    -11.84952947
  H     14.70507118      6.39645225     -9.57793042
  O     11.74354219      8.97457268    -15.92740996
  H     12.68919252      4.86173070    -14.99511494
  H     15.27788741      7.84149530     -9.44117684
  O     11.01606570      7.09323675    -14.01175552
  H     11.58713642      3.77811501    -15.07558927
  H     14.36766650      8.80411927    -13.68597536
  O     15.51654635      6.91681739     -9.58131765
  H     11.54256491      7.60951547     -9.90533467
  H     14.87001834      9.03761303    -15.12935292
  O     14.93982423      9.36998436    -14.22763072
  H     11.65334649      6.09260085     -9.79607799
  H     12.05803165      9.62352305    -10.85554452
  O     12.58961553      8.96915762    -10.38531358
  H     16.22253284      6.14807820    -12.67950318
  H     13.43210284      9.36820697    -10.13349324
          69
 Energy    -249.24294668014636     
  O     15.90804941      9.48350330    -11.37479029
  H     16.29820727      9.25326051    -10.52056333
  H     11.19117371      6.34317627    -10.65025641
  O     16.69791069      4.33924489    -10.83987100
  H     15.05862629      9.91063848    -11.18794282
  H     13.55287516      7.50609769     -5.70284546
  O     14.27655172      5.61249387    -11.29824940
  H     17.26228602      4.43708390    -11.62057362
  H     14.62517225      6.41270407     -5.83136938
  O     19.86948094      7.01171005    -11.61707856
  H     15.84192935      4.72928898    -11.06592180
  H     15.08278765      8.30640504    -12.48165309
  O     15.63297858      2.84564541     -8.78002114
  H     14.34649942      6.25063034    -12.01838009
  H     13.70733396      8.04541658    -13.16169261
  O     18.18199777      8.72607557    -12.86322199
  H     14.40844113      6.11658994    -10.47787319
  H     17.72094256      5.55120930     -9.86704697
  O     16.78169723      8.64699278     -6.16427628
  H     19.31094392      7.69390843    -12.03194666
  H     18.94914764      6.46189953    -10.11412842
  O     15.11454498      4.91086286     -7.05974974
  H     20.77498968      7.27725872    -11.75179051
  H     17.75585082      5.59431914    -13.58940913
  O     16.91719497      8.56204134     -8.96196345
  H     16.01342616      1.97329456     -8.71213168
  H     18.92405040      5.61862857    -12.58825075
  O     14.67053954      6.94725570     -8.97894471
  H     16.07734583      3.27474165     -9.52914310
  H     11.82519989      6.61307909     -6.66819009
  O     12.43930220      8.58062600     -8.77789180
  H     17.45267036      9.13951879    -12.38249839
  H     10.96108429      7.47129299     -5.71259267
  O     11.03347602      7.27692034    -10.82673187
  H     17.77447621      8.19516827    -13.55840462
  H     11.72524029      3.75355470    -10.54572632
  O     14.48474095      7.31956826     -5.53636380
  H     17.02998990      9.24815401     -5.46715255
  H     12.77874073      4.87569804    -10.66852474
  O     14.61233633      7.71547464    -13.08994661
  H     15.92680431      8.25807530     -5.90749361
  H     12.98605999      9.84863821    -10.07967893
  O     18.29613697      6.20697274     -9.44953188
  H     15.22568850      4.11873955     -7.60647517
  H     12.81618979      9.89821707    -11.60630209
  O     18.25881421      5.03953763    -12.98004206
  H     16.01374889      5.21050758     -6.84877942
  H     17.51399162      6.85586878     -6.43727946
  O     11.73160845      7.49944379     -6.27321377
  H     17.47557546      7.78777225     -9.12826795
  H     18.00221172      5.96822694     -7.60382810
  O     11.95342273      4.62189107    -10.22232808
  H     16.92661423      8.73379282     -8.01148362
  H     12.11546417      4.90317062     -8.34324657
  O     13.32397553     10.27504142    -10.87859725
  H     14.80636274      6.28290904     -8.29251417
  H     13.17380832      4.86030042     -7.21960887
  O     17.61461476      5.93879978     -6.71839842
  H     15.43531484      7.53707758     -8.97392768
  H     11.28787566      8.98084677    -13.48089065
  O     12.25400972      5.08302502     -7.40509160
  H     13.22514649      8.01807814     -8.85211618
  H     11.60082591      8.14064650    -12.21980514
  O     12.00187748      8.67880259    -12.92632743
  H     12.08728972      8.41261581     -7.89667383
  H     15.93851421      7.15299953    -14.13012745
  O     16.76680012      6.90801505    -14.57597862
  H     11.41102141      7.75491596    -10.07468238
  H     16.59371435      6.93976666    -15.51354541
          69
 Energy    -249.24290289818424     
  O     -2.74283278     11.34058671      7.64947817
  H     -2.70681683     10.37569029      7.69067496
  H     -0.13302918     12.70719438      6.63375794
  O     -3.64252877      9.01306089      3.26324555
  H     -3.64552223     11.60026776      7.86922712
  H     -5.39903095     13.21102740      5.15859075
  O     -2.62475523     14.72440261      5.57215398
  H     -4.57763040      8.93508925      3.47920173
  H     -5.44490901     13.26967802      6.70106448
  O     -6.32137216      9.47548345      4.09641582
  H     -3.28587959      9.68138498      3.86865672
  H      1.84989482     11.48288975      5.50705483
  O     -0.54178181      8.92204817      5.82112717
  H     -1.96249081     14.27471533      6.11751603
  H      0.49059759     11.67800384      4.79687883
  O     -3.16859672     10.65287783      0.96802562
  H     -3.49236756     14.36105042      5.78433256
  H     -5.78642222      9.34592024      5.90373072
  O     -4.20239670     13.21237431      1.64592391
  H     -7.16143340      9.34927465      3.66311889
  H     -4.58972408      9.05953107      6.85416148
  O     -2.77175254      8.56782498      7.28346900
  H     -6.07072855     10.40633918      3.96334039
  H     -2.19214230     14.45454786      3.85525130
  O     -0.91658802      8.32688986      3.13663115
  H     -0.00375928      9.71981538      5.85437365
  H     -2.06959076     15.21185727      2.51085534
  O     -0.49376005     10.40775254      1.16326721
  H     -0.58980574      8.66027271      4.88962716
  H     -3.03203832     16.48953187      5.11827747
  O     -0.51122608     12.06158326      3.39816267
  H     -3.46406194     10.07772204      1.68573831
  H     -4.39503979     17.05602012      4.70537150
  O     -0.83675011     13.23871180      7.02252279
  H     -3.60130449     11.50747932      1.08789895
  H     -2.93143714     17.15678852      3.01390283
  O     -5.32369422     13.81374181      5.91397196
  H     -3.37597429     13.49789656      2.06062741
  H     -2.32823292     17.71602694      1.70226045
  O      0.90665964     11.42635610      5.63958179
  H     -4.72626824     14.02107339      1.55361429
  H     -5.99033873     11.86125119      8.79395484
  O     -5.46330788      9.46751270      6.80432008
  H     -2.62412821      7.81592651      7.85116656
  H     -5.57959609     11.02284094      7.55797531
  O     -1.95882140     14.34533302      2.91992347
  H     -1.97460921      8.65125471      6.72811805
  H     -5.66772797     15.86494583      2.73938704
  O     -3.44912345     17.24684671      4.68287119
  H     -1.88313782      8.33620256      3.10889893
  H     -4.49596532     16.20421840      1.80406312
  O     -2.71680601     16.93643414      2.08904654
  H     -0.63882201      8.92706452      2.43590680
  H     -6.93624957     16.45875253      4.94307534
  O     -5.50429336     11.90138900      7.97450380
  H     -0.06710313     10.34159280      0.31380955
  H     -5.88022588     15.35071152      5.14062035
  O     -5.32705154     15.71430725      1.84959877
  H     -1.44971705     10.49809050      0.99325833
  H     -2.01004559     11.48897372      4.35921394
  O     -6.09283995     16.14543957      4.62502358
  H     -0.43720330     11.51717924      2.60336835
  H     -2.70834522     11.28070188      5.74081974
  O     -2.82827610     11.20876378      4.78752143
  H     -0.89814830     12.91165508      3.14531026
  H     -4.40583589     11.71680883      4.22831337
  O     -5.26029924     11.99445474      3.85792393
  H     -1.44832107     12.59874970      7.41452969
  H     -5.05073775     12.42636820      3.01895354
          69
 Energy    -249.24266534598360     
  O     17.55401691      9.00119911    -14.74443381
  H     17.46941076      9.78194189    -15.30250837
  H     12.94828344      9.73370508    -13.23808904
  O     14.34672169      7.71992093     -8.90267055
  H     16.97467248      9.12084919    -13.97606708
  H     12.73755333     10.20516253    -10.95513971
  O     17.36476271     11.44696428    -16.08007011
  H     15.07352097      7.46212376     -9.49630412
  H     11.29377677     10.48650981    -11.43604685
  O     12.52199545      7.20078083    -11.02712302
  H     14.54045778      7.34371595     -8.04818889
  H     18.65187690      3.54176280    -11.47962613
  O     16.64571841      6.38045752    -14.99219752
  H     17.92246905     11.83611118    -15.38111237
  H     17.61046863      4.52018526    -12.06747129
  O     19.82522662      8.14367715    -13.52851063
  H     17.67426384     11.79492682    -16.91142225
  H     16.06447894      6.29986833    -11.35061906
  O     20.50590734     10.61047146    -12.53866581
  H     12.25353655      8.09061456    -11.28502211
  H     17.18951925      7.16480969    -10.72853883
  O     18.97455558      7.15799740    -11.02419076
  H     13.04584247      7.30880125    -10.22406005
  H     18.46465945      5.69664783    -14.73281090
  O     13.19680949      5.23309369    -12.75583213
  H     17.01672738      7.27334668    -14.99994919
  H     19.19335619      5.04596771    -13.54535787
  O     14.97490933     11.82226545    -14.55016534
  H     15.69641874      6.50382317    -15.14886582
  H     16.48965161     12.44016186    -11.74060651
  O     13.95170980      6.91884449    -14.99119120
  H     19.06014579      8.52691497    -13.98619136
  H     16.24207777     13.94724598    -11.98127124
  O     13.55996963      9.53625773    -13.95845051
  H     19.88474121      7.23515138    -13.85495902
  H     15.89807611      8.34847953    -11.97744645
  O     12.06654473      9.95822954    -11.61690305
  H     20.37505296      9.72555569    -12.91938245
  H     15.03983771      9.17490395    -13.00295290
  O     18.54170720      4.43227870    -11.80359149
  H     21.44545935     10.77846595    -12.55919925
  H     18.04404215     12.71163993    -13.37015882
  O     16.23204012      7.02807108    -10.73700790
  H     18.98208817      6.20067321    -11.14791643
  H     19.32392375     11.83278759    -13.43843584
  O     19.34103813      5.55461340    -14.35100743
  H     19.25651936      7.53419962    -11.87048620
  H     17.40908081     10.71202997    -10.39262445
  O     16.46020595     13.13119624    -12.42417088
  H     12.46755054      4.62204446    -12.82055758
  H     16.30473070     10.38122885    -11.42203203
  O     15.90189791      9.10911441    -12.56997071
  H     12.92520799      5.92796781    -12.13002559
  H     15.02336959      4.96538084    -12.68120769
  O     18.74190790     12.39762277    -13.95979088
  H     15.68193781     11.71310826    -15.19795174
  H     16.24622113      5.51159364    -13.47074131
  O     16.55275706     11.01197527    -10.72722969
  H     15.37220778     12.31660074    -13.82375511
  H     19.57786117     10.25624878    -10.90000326
  O     15.98479632      5.05264534    -12.65675012
  H     13.74736505      7.82961727    -14.73967063
  H     19.06548182      8.96435800    -10.24962341
  O     19.02473353      9.92527299    -10.18061942
  H     13.57706600      6.36026451    -14.30089954
  H     14.86436485     10.72782986     -9.97662872
  O     13.97915067     10.41608860     -9.74810060
  H     13.96117139     10.37315051    -14.24236719
  H     14.10233804      9.55459541     -9.32979759
          69
 Ord_Energy   -249.242264    
 O   -1.65967250       5.62039471       6.10086441    
 H   -2.28948379       6.20771027       6.55603886    
 H  -0.797675908       5.81034756       6.46185684    
 O   -3.21427560       2.94622159       3.49007654    
 H   -3.38285542       2.66292095       2.58355021    
 H   -3.00705719       3.89236832       3.44890809    
 O   -4.13150311       2.52814054      0.837048829    
 H   -4.12520933       1.86432421      0.152112976    
 H   -5.06159878       2.76705384      0.987390041    
 O   -9.59747410       2.63699079       4.71414614    
 H   -9.79673862       3.35080147       5.33368444    
 H   -8.90096664       2.14714479       5.16576719    
 O   -7.79256821       8.67154884       6.69581032    
 H   -8.51035881       9.28697586       6.82633162    
 H   -8.12053680       7.99288893       6.07876253    
 O   -5.12365294       9.16569996       6.06842947    
 H   -4.95416594       10.0962086       6.19691992    
 H   -6.04988003       9.01569366       6.31659508    
 O   -8.74995804       6.12303019       2.45203209    
 H   -7.88715649       6.24305439       2.03524017    
 H   -9.03010368       5.22133541       2.25571847    
 O   -5.90722799       2.98364973       4.12831783    
 H   -6.26593065       3.09361768       3.23959017    
 H   -4.95002651       2.90330577       4.02205992    
 O   -7.27544546       2.32816505       6.42400599    
 H   -6.80289173       2.46723437       5.58917713    
 H   -6.58230448       2.28593159       7.09243679    
 O   -2.63754010       5.67964935       3.45447779    
 H   -3.35715365       6.31872416       3.55680656    
 H   -2.16482711       5.68733597       4.29670763    
 O   -9.12141609       4.49541426       6.77550220    
 H   -8.45973015       3.78991413       6.73745584    
 H   -8.85182381       5.08521414       7.49483824    
 O   -2.91585612       3.04901552       6.29442692    
 H   -2.46752930       3.90279150       6.33166552    
 H   -2.92900181       2.81079936       5.35930014    
 O   -4.91870975       2.50935984       8.05380630    
 H   -4.58588934       1.91605759       8.72208691    
 H   -4.19102573       2.65321064       7.42193556    
 O   -6.64862680       3.46992779       1.49083114    
 H   -7.60338926       3.34905529       1.56887829    
 H   -6.46877909       4.42180204       1.53204370    
 O   -4.84105730       7.33280897       3.90588117    
 H   -4.85290718       8.11476994       4.46628475    
 H   -5.22440195       6.62666893       4.45246649    
 O   -6.09692907       5.44420242       5.37501049    
 H   -6.99144459       5.79647923       5.27657557    
 H   -6.05786705       4.58480549       4.93609238    
 O   -6.01163244       6.18370485       1.61781871    
 H   -5.19825172       5.98690176       1.12936807    
 H   -5.71816397       6.69125414       2.38608384    
 O   -8.61489201       6.63220406       5.11774397    
 H   -8.75514412       6.48786116       4.17062521    
 H   -8.95641994       5.87779713       5.61940718    
 O   -7.99096489       6.33914042       8.51966667    
 H   -7.09090233       5.98267174       8.53111744    
 H   -7.91949797       7.19578695       8.08716393    
 O   -5.44083023       5.28394651       8.04668617    
 H   -5.65969181       5.33754349       7.10210657    
 H   -5.25638008       4.35419941       8.22203732    
 O   -3.48932743       7.15704107       7.36479664    
 H   -4.00134039       7.86643505       6.96194029    
 H   -4.13118696       6.54629135       7.75421810    
 O   -9.37058353       3.33568358       2.08746052    
 H   -9.46770573       3.05935287       3.01546359    
 H   -10.1424694       3.01791787       1.62595868    
 O   -3.52274323       5.36090136      0.726483464    
 H   -3.58181024       4.40336895      0.629232347    
 H   -3.03577328       5.51187134       1.54698026    
          69
 Energy    -249.24222034068384     
  O     16.79830032     10.16225420    -10.85380285
  H     16.16423869      9.69816264    -11.41637692
  H     14.49092694      9.15910926     -8.59677128
  O     15.31676758      4.49498141     -7.21030649
  H     17.67915757      9.85030730    -11.10617252
  H     12.41721864      8.37013868     -5.78877605
  O     16.66824917     12.63326567     -9.74823692
  H     15.44060375      5.23389181     -6.58612519
  H     13.20945934      8.66836957     -7.08070495
  O     12.95262346      5.82154257     -8.20500184
  H     15.40906587      3.69001697     -6.70904476
  H     16.66232470      5.65971979    -12.78995754
  O     15.17199733      8.62986165    -12.49415723
  H     16.67868248     11.77226834    -10.20291349
  H     17.57903782      4.85694674    -13.73879448
  O     19.20659554      9.06490559    -11.57318006
  H     16.53424739     13.29889060    -10.41758543
  H     16.24633654      6.72810580     -9.13959000
  O     20.74290689     10.17520880     -9.50403495
  H     12.90731820      6.52727312     -7.55021174
  H     16.14428491      5.25152608     -8.65788153
  O     18.78722737      6.43508945    -10.71975509
  H     13.67692628      5.25339083     -7.91832100
  H     18.23818451      8.76896457    -13.24485688
  O     12.67828713      6.42023871    -10.90197799
  H     15.13861178      7.70408069    -12.21419272
  H     17.62532450      7.47162745    -13.78875434
  O     15.28297160     11.71558213     -7.44590838
  H     15.91036875      8.68338344    -13.11912479
  H     17.45666900     11.55039612     -5.13612348
  O     12.82059125      9.34580647    -11.20765847
  H     19.09090375      8.15460998    -11.26168921
  H     16.64868901     11.31337928     -6.43515169
  O     13.64911618      9.63788069     -8.51194151
  H     19.84013361      9.48341392    -10.97699521
  H     16.63526385      8.47716510     -7.98907902
  O     13.11264082      8.03588394     -6.34997680
  H     20.14031270     10.80055427     -9.06298430
  H     16.44933448      9.06718449     -9.43052791
  O     17.54643795      5.64020486    -13.19521234
  H     21.62277487     10.53194826     -9.41781374
  H     18.27004348     12.22478154     -8.80073927
  O     16.47179882      5.81338598     -9.36960595
  H     18.58418998      6.08163522    -11.59404917
  H     18.58863125     11.59376198     -7.43643980
  O     17.56206020      8.43399117    -13.84717840
  H     18.03684988      6.16825939    -10.16692545
  H     14.77252382      7.22650755     -5.81199402
  O     17.48305799     11.10309053     -5.97785927
  H     12.54645397      7.37224448    -10.93637713
  H     16.32617235      7.25622941     -5.86210005
  O     16.07887706      8.45707195     -8.78025781
  H     12.71156127      6.18394483     -9.96173756
  H     14.23897317      5.95566070    -11.60642277
  O     18.98236371     11.82710840     -8.28589985
  H     14.62659920     11.08783811     -7.77181507
  H     15.62698929      5.78984919    -10.94896073
  O     15.56427238      6.69371026     -5.66798823
  H     15.65897321     12.14024103     -8.22795872
  H     20.14573312      8.57896928     -8.64794029
  O     15.18666321      5.90675126    -11.80346451
  H     12.19072912      9.75081090    -11.79964010
  H     19.54050636      7.22088852     -9.03977390
  O     19.70652604      7.79889475     -8.28712496
  H     13.61492251      9.16287609    -11.73597444
  H     17.71142991      9.28258939     -6.25902044
  O     17.66003450      8.35832249     -6.53255852
  H     13.24533634      9.62068687     -9.38694895
  H     18.45081531      8.13964119     -7.04957175
          69
 Energy    -249.24220112102230     
  O     16.46879490      5.03748068    -15.47854898
  H     16.32165850      5.93521689    -15.79785459
  H     18.63265820      5.27669224    -13.12197519
  O     18.19439390      6.32591555     -9.81451904
  H     15.99380922      4.95837644    -14.64076419
  H     18.50968611     11.31474029    -14.33061332
  O     13.01090223     10.57047620    -10.09259943
  H     18.92822969      5.90572816     -9.37294916
  H     17.39278222     12.29454239    -13.93364078
  O     19.64650087     10.07413471    -13.44899069
  H     18.30823988      6.16248678    -10.76762359
  H     16.82770912     11.04252101    -15.90951130
  O     18.92602977      4.23899700    -14.54792178
  H     12.42609332     11.26608045     -9.80132820
  H     16.33769795     11.09111900    -17.37434081
  O     12.21458060      7.84473049    -10.55470044
  H     13.47902818     10.91235491    -10.87198679
  H     16.35331616      9.03041318    -11.20240205
  O     15.54605154      5.23368271     -9.86260081
  H     19.01467891      9.36186738    -13.64909723
  H     15.42785138      9.88808993    -12.12846883
  O     13.89230451      7.25413403    -12.61662941
  H     20.51131458      9.75050422    -13.68716402
  H     14.51207123      8.29357815     -8.37623105
  O     18.49307632     11.19457715    -11.07242263
  H     18.09490863      4.47698685    -14.99456548
  H     14.29383320      9.70182575     -8.95903532
  O     13.67551887      6.60342687     -8.46375478
  H     19.11016419      3.33844039    -14.80090228
  H     16.46845101      5.38389610    -12.63956752
  O     15.99057357      7.83140268    -16.05707847
  H     12.60674560      7.38375360     -9.80111572
  H     14.95807993      5.79153506    -12.70939330
  O     18.29440217      5.93257244    -12.49518309
  H     12.38337148      8.78376733    -10.40716670
  H     16.97921995     13.82402331    -11.93744683
  O     17.77458406     11.82877941    -14.68676390
  H     16.44424353      5.56898673     -9.75528064
  H     17.39744368     12.34548632    -11.74935947
  O     16.25695438     10.59845155    -16.56167336
  H     15.46147312      4.98955488    -10.79154990
  H     17.67838193      8.12268022     -9.64406102
  O     15.88107979      9.03994929    -12.04531718
  H     13.21198472      7.36897420    -11.93804720
  H     16.55156015      9.09489910     -9.15355180
  O     14.92734190      9.16003859     -8.47335519
  H     14.61155025      7.86243989    -12.39133699
  H     14.21262959     11.23061102    -13.19682701
  O     15.56986814      5.04065292    -12.74008479
  H     18.17737930     10.47661292    -10.50710425
  H     15.19114391     12.03738242    -12.26852346
  O     16.79090423     12.93706755    -12.23218681
  H     18.99702999     10.78619688    -11.78678124
  H     12.54398190      7.43067038    -15.49604618
  O     17.34802825      9.02670324     -9.70473196
  H     13.37602083      6.05412821     -7.74441419
  H     13.44963071      7.62019660    -14.25512903
  O     14.45299360     11.41462420    -12.27476097
  H     14.32569654      6.07838885     -8.96360876
  H     13.60009751      9.77094147    -14.96585232
  O     13.31552709      7.89299602    -15.17967094
  H     16.14338944      8.73501271    -16.36445967
  H     14.69592746     10.72341709    -15.46257601
  O     13.95706013     10.65920769    -14.84571796
  H     15.05710953      7.79745032    -15.80589064
  H     17.19140067      8.02916074    -14.68739090
  O     17.68977624      8.23329137    -13.88700710
  H     18.15698024      6.74898832    -12.99573685
  H     17.04884563      8.58023663    -13.24608823
          69
 Energy    -249.24195322080035     
  O     -2.46801440     12.84298194      8.53101777
  H     -3.39572867     12.88918560      8.27237822
  H     -1.47152146     13.23593075      7.12367863
  O     -4.36966558      8.04585653      5.34761876
  H     -2.28308471     11.93381401      8.79776637
  H     -5.22939295     13.90197496      5.83813064
  O     -2.51841237     14.92592095      4.50205134
  H     -4.26092577      8.41331479      6.23602677
  H     -5.17965924     13.20200374      4.45286948
  O     -3.96306305      9.71282174      7.57766483
  H     -5.18232690      8.44204131      5.01369880
  H      0.79306086     11.63488732      4.66306873
  O     -6.65108902      9.67327327      4.58099810
  H     -3.42546477     14.63984774      4.66988759
  H      2.01887323     11.88485166      5.57392131
  O     -0.26396248      9.52571473      6.80914313
  H     -1.96124584     14.48766983      5.16170947
  H     -5.64484974     10.38571186      7.47915210
  O     -3.34228545     11.92357886      1.44557805
  H     -3.26582893      9.69677797      8.24247326
  H     -6.67062681     10.49476097      6.34259887
  O     -1.65534729     10.12319284      9.06591740
  H     -3.64152793     10.30909474      6.88324457
  H     -1.54783866     14.37680090      1.53741493
  O     -1.85328775      8.85138287      4.56888289
  H     -6.08976953     10.36160410      4.18484067
  H     -1.76945322     14.14968273      3.05470109
  O     -1.72574935      9.71323172      1.86821880
  H     -7.36961527      9.52064803      3.97265433
  H     -4.27187055     16.58607726      2.61953128
  O      0.15585991     11.58167343      3.05528780
  H     -0.72315877      9.12246851      6.06084754
  H     -2.94498009     16.36227542      3.35878433
  O     -1.12610223     13.33838019      6.22285466
  H      0.27968730     10.23090206      6.43633881
  H     -1.92428722     16.30643064     -0.21211490
  O     -5.18857093     14.06755022      4.88805660
  H     -3.92967273     12.52922827      0.97090026
  H     -2.63526217     16.20954234      1.15995051
  O      1.08239293     11.70676731      5.59113099
  H     -2.62992194     12.48897944      1.77979046
  H     -5.71960351     12.46666417      7.46408155
  O     -6.41307455     10.89569091      7.18006459
  H     -1.12152774      9.89162393      8.28399963
  H     -5.71473350     13.77201927      8.29139757
  O     -1.40502314     13.74585757      2.25346452
  H     -1.20088818      9.76673811      9.82397359
  H     -3.93457674     14.64189708      0.29943097
  O     -3.34328324     16.85075896      2.62471652
  H     -1.80577870      9.01826367      3.62056026
  H     -5.19606567     14.55714817      1.17217026
  O     -2.29892945     15.68772077      0.40854580
  H     -2.71544544      8.44570277      4.75363913
  H     -5.73099094     15.08140493      3.51027130
  O     -5.24532380     13.30589235      7.60308110
  H     -2.36374635     10.41190040      1.65018059
  H     -6.79141755     15.91066727      2.75479063
  O     -4.70924363     14.09390485      0.48005414
  H     -1.58562621      9.21475504      1.06637551
  H     -2.27477763     11.95427207      5.71172180
  O     -5.90259951     15.56989156      2.68835298
  H     -0.26713398     12.39800743      2.75355442
  H     -2.40020046     10.48976110      5.16507436
  O     -2.89801723     11.25438411      5.48790528
  H     -0.34117937     10.86499184      2.64803351
  H     -4.45269802     11.66907694      2.86544784
  O     -4.90097875     11.58617429      3.71583097
  H     -0.29570869     12.85597039      6.14050950
  H     -4.20570657     11.44440605      4.38022745
          69
 Energy    -249.24181341341307     
  O     14.19763554     11.91800665    -14.92958521
  H     15.14768456     12.04474421    -14.85410036
  H     12.86774280      6.64447972    -16.18202384
  O     14.76554226      6.14453966    -13.67514017
  H     14.06655187     11.23566067    -15.60472972
  H     19.94202414      5.61133281    -14.96506535
  O     18.25311744      8.30280373    -11.50890636
  H     14.32301009      5.98139726    -14.52332591
  H     19.62747737      7.00007241    -14.35065348
  O     18.93335592     10.44860914    -15.57438346
  H     14.12106981      6.48650958    -13.04129809
  H     15.30345720      7.73327021    -14.31008443
  O     11.60574804      8.09173303    -16.17580143
  H     18.15106280      8.22694092    -10.55231117
  H     16.37760033      8.34016637    -15.25358100
  O     14.98078400      8.58795045     -8.81370306
  H     17.88932451      7.49148239    -11.89522634
  H     13.09499844     11.59224942    -13.61566041
  O     13.16131116      7.37856234    -11.76855408
  H     18.27984634     11.05716809    -15.19764178
  H     11.90322856     12.11057828    -12.77787466
  O     16.51091870     10.11572925    -12.59911054
  H     19.49273609     10.97176693    -16.14517670
  H     16.83473982      5.48338146    -10.89039339
  O     15.34163402      7.51121445    -17.87656581
  H     10.72940321      8.04548032    -16.54768327
  H     17.00490555      6.18569200     -9.52692147
  O     13.91077478      5.99821138     -9.45243522
  H     11.50120561      8.30901928    -15.23197264
  H     11.93249738      8.18222530    -12.93013142
  O     17.74892949      7.98070692    -16.38227396
  H     14.65229141      9.16151825     -9.51865722
  H     11.75769410      9.65841475    -13.34886628
  O     13.64321389      6.07255223    -16.14026610
  H     14.50772282      7.75170017     -8.90749961
  H     19.52886953      8.58022589    -12.83566190
  O     19.22766834      6.20371889    -14.74528799
  H     13.28495332      6.83540776    -10.98013571
  H     19.71559174      9.27998729    -14.20845461
  O     15.66750960      8.56634689    -14.63804693
  H     13.53925282      8.24571715    -11.56309889
  H     17.92658981      5.86777359    -13.38184058
  O     12.48841762     11.36572075    -12.88866191
  H     16.15938849      9.58470851    -13.33397636
  H     16.40960098      5.93871839    -13.03758498
  O     16.52592789      5.47799005     -9.97489341
  H     17.16472832      9.56568897    -12.14764827
  H     16.68093737      8.21225440     -8.77726646
  O     11.48525014      8.75834218    -13.56347626
  H     14.88667977      8.33642487    -17.66738983
  H     17.99090366      8.04194899     -7.96990845
  O     20.03705074      8.55626372    -13.65894774
  H     16.23855374      7.61734963    -17.53659598
  H     15.01154762     10.04989170    -11.59948062
  O     17.30008985      5.94416444    -12.65364404
  H     13.52639612      5.29965376     -8.93007584
  H     13.53008194     10.48759960    -11.62405105
  O     17.60204713      7.89843649     -8.82816959
  H     14.82382738      5.72724923     -9.65729903
  H     16.88165109     11.48404464    -13.59931862
  O     14.16164553      9.93052224    -11.15235845
  H     18.20708105      8.81537144    -16.22172726
  H     17.24299884     12.96307857    -13.88023868
  O     17.07667541     12.12546616    -14.30662112
  H     18.24735249      7.28939807    -15.92728468
  H     13.08117537      9.19445455    -16.50043905
  O     13.92636668      9.66196198    -16.52702661
  H     14.25843626      6.42186454    -16.80060978
  H     14.47821500      9.26066216    -15.83751749
          69
 Energy    -249.24164174095313     
  O     16.88111074      9.60869815    -15.41614101
  H     17.26853943     10.34282499    -15.90665897
  H     16.34179668      4.58815947    -14.05490775
  O     18.22087684     11.85912793    -16.39591064
  H     17.07013178      9.78152529    -14.47778335
  H     16.50118849      8.77220369    -10.28355276
  O     14.23647774      9.10769895    -14.66838859
  H     18.07758183     12.46334322    -15.64419585
  H     15.43052318      8.10429995    -11.23691170
  O     18.15193988      7.18976976    -15.07298455
  H     18.23397751     12.39692214    -17.18279774
  H     16.31270399      4.61594059    -16.65629307
  O     20.71456052      8.14158350    -14.79958003
  H     13.84031109      9.96971354    -14.48705207
  H     15.52803934      5.62919026    -15.78849711
  O     18.11893885      6.45767531    -12.30435642
  H     15.12127753      9.27890831    -15.01953850
  H     21.06729629     13.14213996    -12.68054723
  O     13.02742397     10.52642477    -11.15405871
  H     17.62260271      6.46511235    -15.42855099
  H     20.45583688     11.98338581    -13.50608602
  O     17.93606730     13.39148161    -14.17958924
  H     17.68398440      8.01178020    -15.28018096
  H     13.98657240      7.33734727    -15.24529876
  O     13.38392694     11.65239302    -13.83191495
  H     19.83956284      7.74619544    -14.94860730
  H     13.72521737      5.98862490    -14.54129408
  O     15.77933920     12.39568124    -12.71120763
  H     21.35065164      7.56566122    -15.21697243
  H     18.06972898     10.30208987    -12.31222149
  O     15.12706340     12.04385731    -10.09376666
  H     17.49698605      7.00395847    -11.79915573
  H     16.85850283      9.35857012    -12.25737300
  O     16.20874890      4.52179224    -13.10155984
  H     18.09758908      6.76681671    -13.22064300
  H     20.60287110     10.00441617    -14.91449055
  O     16.36867659      8.14308993    -11.00323743
  H     13.19256395      9.59328482    -11.33974393
  H     19.79485179     11.18139593    -15.52071537
  O     16.39024416      5.18799058    -15.89773443
  H     12.95914266     10.94296398    -12.02075135
  H     19.78644375      9.77704526    -11.25917503
  O     20.30929805     12.56604587    -12.73796088
  H     18.69067180     13.24011142    -13.59843158
  H     19.74735731     11.33254279    -11.47258446
  O     14.01554041      6.38040334    -15.37447815
  H     17.14427402     13.21861197    -13.65222297
  H     13.68466624      7.05657841    -12.22821489
  O     17.27063063     10.05078303    -12.79046913
  H     14.22487627     11.99848986    -13.48694751
  H     14.00706817      8.36950578    -12.98773792
  O     20.50376035     10.96394791    -14.90365020
  H     12.90034692     12.39853799    -14.17703621
  H     19.65913209      7.53326660    -11.90303804
  O     19.33726394     10.59822883    -10.99917111
  H     15.55235752     12.46310270    -11.77103584
  H     20.61240995      8.24771892    -12.86418236
  O     13.86205020      7.99756704    -12.10583493
  H     16.28198664     11.57238416    -12.79197908
  H     17.99396886     10.39746893     -9.81158875
  O     20.32292425      8.23392912    -11.94483037
  H     14.35598941     11.49800659    -10.31194235
  H     17.51957586     10.16705203     -8.36020488
  O     17.21514508     10.20019761     -9.26409505
  H     15.79162748     11.44932969     -9.72895008
  H     14.54654628      4.97161145    -12.79492862
  O     13.62549348      5.28551628    -12.74983448
  H     16.91217854      5.04938459    -12.70156666
  H     13.10130780      4.55895977    -12.42432946
          69
 Energy    -249.24163899092332     
  O     12.37053129     11.80571611    -13.24006085
  H     13.23294464     12.04513729    -13.61968261
  H     16.16232872      6.05399402    -13.74978488
  O     19.23774310      9.32655697    -12.09622739
  H     11.86709751     12.61235958    -13.16726880
  H     19.42408959     12.62493125    -16.38783165
  O     15.69103016      9.92622384    -11.37546473
  H     19.12341185      9.43573711    -13.05170625
  H     18.01567427     12.00430898    -16.56390371
  O     11.88148771      9.36658433    -14.59133848
  H     18.85016235     10.11222863    -11.69540572
  H     12.96010233      9.39266939    -17.62100605
  O     14.18348276      7.90342166    -15.19854625
  H     15.74784470      9.82419477    -12.33737410
  H     12.13475476      9.89336412    -16.41587618
  O     14.38396842      6.36655551    -12.93895362
  H     16.38772942     10.54813648    -11.13775118
  H     16.84808971      9.72428045    -14.36337146
  O     18.58472576      6.73076316    -11.74921444
  H     11.70172484      8.72201653    -13.89413122
  H     15.42540417      9.11201642    -14.59288224
  O     14.76276593     12.27774789    -14.46939772
  H     11.99700216     10.21899075    -14.14996671
  H     13.47869727     11.62513628    -17.23474975
  O     18.12745674      7.28892457    -16.28684082
  H     14.29392925      7.29387268    -14.45559998
  H     13.63072419     13.08171905    -17.72947417
  O     15.93254518      7.17982896    -10.84574802
  H     13.40575887      8.44731930    -15.00813894
  H     18.76840044     10.42928640    -15.26446478
  O     16.74404246     11.61849271    -17.61090266
  H     13.47786825      6.62027467    -12.72680377
  H     18.58424248      8.86956302    -15.40623199
  O     17.06417092      6.14114554    -14.07531585
  H     14.91149731      6.60641903    -12.15946571
  H     16.44588113     12.89910670    -13.81836835
  O     18.74146200     12.14570745    -15.92692347
  H     19.31106280      6.27483778    -11.33331616
  H     17.89039140     12.74385397    -14.32807716
  O     12.52268861     10.17155170    -17.25492923
  H     18.84816262      7.66534098    -11.82787689
  H     18.18048014     12.33448329    -10.54706435
  O     15.91277806      9.81148006    -14.14142894
  H     15.18693602     11.40727790    -14.39598037
  H     17.72428492     12.16781759    -12.01402606
  O     14.03326553     12.42259256    -17.17022785
  H     14.54907829     12.41365756    -15.40154322
  H     13.87958063      9.87624359    -11.15273344
  O     18.62900722      9.60415576    -14.78183830
  H     18.73826234      6.65532899    -16.65487205
  H     12.68461594     10.59562090    -11.79927799
  O     17.36949699     12.94750298    -13.54158882
  H     17.70149380      6.85347818    -15.52690867
  H     17.09776210      8.32060009    -17.48531798
  O     17.88197948     11.68831882    -11.18128008
  H     16.85794677      6.96659771    -11.01697123
  H     15.71593515      8.53195931    -18.13445125
  O     12.91694863      9.84253170    -11.24333048
  H     15.87265022      8.14334155    -10.90202193
  H     12.24915229      8.37283971    -11.87616890
  O     16.59809329      8.91426188    -18.05855126
  H     16.70861553     10.67293603    -17.82302183
  H     11.18105411      7.25524456    -11.80249753
  O     11.86554555      7.61692975    -12.35919382
  H     15.83236317     11.91686543    -17.53515464
  H     14.10806878      7.73580803    -16.93788534
  O     13.98706814      7.80625792    -17.90194843
  H     17.61419484      6.29875526    -13.29600946
  H     13.67555719      6.95682131    -18.20366385
          69
 Energy    -249.24138790731377     
  O     17.76240751      8.26164147    -12.43090558
  H     16.99763678      8.84344036    -12.56320589
  H     13.24072118      9.54993837    -15.41041052
  O     12.03439368     11.58813735    -11.61835441
  H     18.27451774      8.66983353    -11.71945722
  H     16.59476849      9.82573954     -6.24062342
  O     18.96654520      9.86365576    -14.42787167
  H     12.43498416     11.92044278    -12.44388170
  H     16.13771081      8.88590975     -7.38046565
  O     11.26600152      9.24144592    -13.04990810
  H     11.45827985     12.27543066    -11.29542435
  H     13.38216173     10.71616152    -10.74726408
  O     16.11644722      6.29749870    -11.42185957
  H     18.25999524     10.07792582    -15.04864553
  H     13.96462450      9.31325693    -10.33369861
  O     18.99030507      9.84360964    -10.48745799
  H     18.63228013      9.14369714    -13.87630486
  H     19.03977609      8.57785918     -9.12562180
  O     16.65664882     11.11688900     -9.55636889
  H     11.42698294     10.01699993    -12.49947332
  H     18.19804914      8.55636307     -7.84457711
  O     11.93610087      6.77128702    -12.20624347
  H     11.54934684      9.48454501    -13.94000904
  H     17.91391643      6.52487671     -8.76020303
  O     16.71969840     10.46515141    -16.07507031
  H     16.52407111      5.97121796    -10.61021325
  H     17.75450353      5.00128370     -8.54849912
  O     14.37109852      6.41958874    -13.70515387
  H     16.75648815      6.90972809    -11.81410104
  H     15.08162229     10.05895298    -11.96349219
  O     14.79068135      8.82340034    -14.96082844
  H     19.43427225     10.45179846    -11.08984862
  H     16.17288278     10.88228358    -12.68529419
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  H     18.18282774     10.28760131    -10.18757748
  H     19.59004010     11.00632304    -13.28350133
  O     16.74134705      9.61829788     -7.15965280
  H     15.76723998     10.85916895     -9.84138549
  H     20.62820591     12.04825192    -12.79407871
  O     14.17039826     10.25375848    -10.43475447
  H     16.74480717     10.75719517     -8.66440283
  H     16.15954719     12.08265334    -15.07778994
  O     18.77057292      8.00661093     -8.39403960
  H     11.64999803      7.65048046    -12.51325996
  H     16.28479492     12.85164281    -13.74075564
  O     17.32285567      5.76677083     -8.91837168
  H     11.15934323      6.21917864    -12.18613698
  H     14.65313544      7.12921237    -10.71030933
  O     15.68414276     10.05080255    -12.71810149
  H     16.72762131     10.46014268    -17.02958370
  H     13.11666715      7.22718442    -10.85487631
  O     19.82271225     11.60247459    -12.54809535
  H     16.05465186      9.81367434    -15.79876513
  H     18.09099046     12.23188460    -12.25193261
  O     15.76624089     12.78938188    -14.55324192
  H     13.51142329      6.45661009    -13.26782808
  H     16.98130935     12.18029965    -11.17287069
  O     13.86038200      7.52302755    -10.31641837
  H     15.00595470      6.21035024    -13.00878581
  H     12.81792062     11.64370666    -14.62661174
  O     17.14867029     12.38550633    -12.10124812
  H     15.03627090      9.32787890    -14.16796839
  H     13.99678520     12.54426431    -14.18336983
  O     13.08002380     12.31014211    -13.98142798
  H     14.67243509      7.90962710    -14.66403153
  H     15.89238514      6.77461216     -8.11838609
  O     15.25203704      7.45227494     -7.86749822
  H     12.12523208      9.83700386    -16.44480053
  H     14.61777105      7.48498919     -8.59489609
          69
 Energy    -249.24104756039932     
  O      0.27068795      3.35110987      3.84915381
  H      0.33945529      3.75725904      2.97628724
  H     -0.35982588     -0.15247565      2.34070356
  O     -2.17789680      2.03354226      3.94073163
  H     -0.62131388      2.97785419      3.89154489
  H     -3.78412702     -1.45321908      2.92690347
  O      0.51433119      2.55477919      6.59656334
  H     -2.07334005      1.62251436      4.81002690
  H     -3.26001641     -1.92766671      1.54222171
  O     -0.18422638      0.97275145     -2.16410537
  H     -1.84448442      1.39214888      3.29283427
  H     -3.82237944      2.20591054      3.31183225
  O     -0.82182292     -1.54203493     -0.98425259
  H     -0.29829901      2.03315968      6.65120973
  H     -5.17699223      2.93248692      3.13998175
  O     -4.98820084     -0.55716966      3.86357876
  H      0.47337353      3.02693464      5.75530265
  H      1.45491229     -1.26071033      1.91930975
  O     -3.58345020     -1.44581501     -0.25145222
  H      0.72235479      0.86261156     -1.81902151
  H      1.73655321     -0.06893606      2.91740778
  O     -1.30348822      2.08597697      0.13547623
  H     -0.10546024      1.20318417     -3.08514671
  H      0.68610569     -1.87436423     -0.16891601
  O      2.20378002      0.55023051     -1.03197971
  H     -1.75313053     -1.56617974     -0.73664476
  H      1.92010605     -2.79787755     -0.03382370
  O     -3.81302000     -1.02330033      6.44785527
  H     -0.69719783     -0.72764455     -1.48778585
  H      1.79130982      1.35527551      6.53790941
  O     -2.07788484     -2.57163985      5.05754202
  H     -5.01249176      0.37311082      3.60973735
  H      3.06116945      0.63570849      7.05414858
  O     -1.23585663      0.20828931      2.15506881
  H     -4.71094507     -0.59348263      4.78729513
  H      1.94511562      3.04080821      0.97399403
  O     -3.02977854     -1.86806596      2.47656279
  H     -3.78027882     -0.50758917     -0.08027576
  H      2.76548525      2.10379148      1.87622248
  O     -4.70909366      2.13101709      2.91953071
  H     -4.29754107     -1.78214407     -0.78673230
  H     -2.40766613      0.20558665      6.49483332
  O      1.21022493     -0.86696501      2.76587723
  H     -0.95134002      1.74313200     -0.69696332
  H     -0.96065255      0.07108757      5.95786640
  O      1.57005979     -1.95217112      0.23393623
  H     -1.23739524      1.37601519      0.79353195
  H      1.08953762     -0.67439998      5.83866461
  O      2.41515641      0.62982897      6.35322786
  H      2.15809250     -0.30773119     -0.59563900
  H      0.62182348     -1.12844784      4.44828584
  O      2.66396208      2.39804207      0.96268455
  H      2.44710961      1.19781567     -0.35330423
  H      2.58234334      1.19556170      4.52656971
  O     -1.61047018      0.70909222      6.28887390
  H     -4.24923582     -1.50105926      7.14824295
  H      1.64627095      2.12457466      3.72133827
  O      0.35425567     -1.09697869      5.37870464
  H     -3.22906727     -1.66023592      5.99459896
  H     -3.15811887      1.65059764      0.15503182
  O      2.37575395      1.49332923      3.63291849
  H     -1.18236727     -2.23210300      5.17659734
  H     -4.33644274      1.50993971      1.13942949
  O     -3.99891540      1.19545468      0.29252621
  H     -2.29736548     -2.47321558      4.12104741
  H     -0.30088513      3.42098097      0.75852909
  O      0.31607122      4.07522063      1.12818243
  H     -1.86809205     -0.51808174      2.24081206
  H      0.17710591      4.88789149      0.64851642
          69
 Energy    -249.24090375914670     
  O     18.78132456     10.39968493    -14.63731005
  H     19.39402959      9.65346380    -14.56565136
  H     19.44138302      3.84421529    -13.60589159
  O     21.55491820      7.94192126    -11.82023254
  H     18.10515355     10.11899358    -15.26411420
  H     15.47112556      9.20283957    -15.19400149
  O     15.36066748      8.10526517     -9.87757148
  H     21.03201722      8.53966572    -11.26634746
  H     15.42460640      9.25560347    -13.64729799
  O     12.55680019      8.75646832    -12.93931400
  H     21.22316560      8.05658182    -12.72067022
  H     17.42461049      7.84857218    -12.69786928
  O     16.85541440      9.27219877    -16.44786023
  H     15.12238879      7.24746964    -10.25496898
  H     18.19337653      6.64212421    -12.08208299
  O     18.62139920      5.86030092    -10.46671333
  H     14.55154079      8.63905826     -9.88815023
  H     15.02440255      5.89791351    -14.13644421
  O     14.46601461      5.75498958    -11.13205002
  H     12.59555081      7.81344748    -13.11675750
  H     14.48442155      7.33530260    -14.04944097
  O     21.23442499      5.35359452    -11.26494057
  H     13.23576692      9.12661209    -13.52277044
  H     16.98050796      8.09992929     -9.13459414
  O     16.70786696      3.97555407    -11.09043247
  H     16.73672619      9.60702504    -17.33317629
  H     17.89460256      8.14989200     -7.89036313
  O     17.77817080      2.96673102    -13.35498668
  H     17.21176853      8.37056914    -16.54014295
  H     20.39085931      5.29776572    -15.24297631
  O     20.18684821      8.04293898    -14.25471640
  H     18.52150353      6.57869899     -9.83132026
  H     21.17445122      5.52975966    -16.55577778
  O     20.23828932      4.35797730    -13.78444214
  H     19.56188891      5.68616014    -10.60631341
  H     12.82117460      9.25124899    -11.23064429
  O     14.87868961      9.12251024    -14.43790995
  H     13.61415763      5.40569838    -10.87968282
  H     12.41434452     10.13634593    -10.04118826
  O     17.94622634      7.06448251    -12.91448045
  H     14.40206493      5.99981968    -12.07155519
  H     19.35537878     10.19636079    -10.94939834
  O     14.30676445      6.42917870    -13.76298326
  H     22.01473196      4.99276396    -10.85391247
  H     19.15236522      9.13268732     -9.84829410
  O     17.90550335      8.05745609     -8.84017093
  H     21.42401767      6.29142765    -11.45873520
  H     18.35854424     12.23225273    -12.09689040
  O     20.46961474      5.88170589    -16.01931052
  H     17.40269609      4.56738583    -10.76627711
  H     18.52734853     11.02735769    -13.05502917
  O     13.04042434      9.46943602    -10.30972901
  H     15.90348480      4.50631274    -11.09970668
  H     17.13467490      5.89852035    -14.00598282
  O     19.82268775      9.56571213    -10.38828907
  H     17.37639202      3.26230786    -12.51784765
  H     16.98765893      4.38883807    -14.30485801
  O     18.33132054     11.28036006    -12.13335678
  H     17.63491543      2.02617705    -13.41283115
  H     18.73154798      6.47438382    -16.56307557
  O     16.67532355      5.25915806    -14.57531534
  H     19.41128760      7.68252999    -13.79679760
  H     17.31926713      6.15227921    -16.06027829
  O     17.80862482      6.73865692    -16.65333308
  H     20.41150028      7.40327139    -14.93983081
  H     17.01679814     10.02327190    -12.04818880
  O     16.42709357      9.27134333    -12.18891465
  H     20.58244035      4.65071817    -12.93261550
  H     16.05872893      8.98863777    -11.34369264
          69
 Energy    -249.24089076877908     
  O     14.97636910      9.69413574    -16.51926748
  H     14.30561000      9.07076055    -16.19903396
  H     20.00933917      5.24950951    -15.01532071
  O     14.03591476      2.80474418    -16.27765131
  H     15.60333953      9.80739790    -15.79795566
  H     17.53347688      7.10694062    -16.37581891
  O     18.08135393      5.48771422    -12.04578009
  H     14.93691882      2.68463321    -16.62891325
  H     17.57839528      8.24144464    -17.43894822
  O     19.79193683      5.72103760    -16.68746130
  H     13.50827480      2.09122740    -16.62627101
  H     17.07365811      4.89960737    -15.37246960
  O     18.13536905      4.47110910    -18.69087739
  H     18.82418437      5.36503866    -12.64772170
  H     16.55101302      6.21007515    -14.70173934
  O     13.76242787      6.24968668    -10.26166006
  H     17.53929247      6.20242165    -12.41697797
  H     13.48275149      6.98313096    -16.14933483
  O     14.08921469      3.83609460    -13.62741468
  H     19.39393565      6.60084760    -16.72302016
  H     13.31495454      7.42553182    -14.68476548
  O     16.43116255      7.29268354    -13.24035813
  H     19.30943639      5.20240787    -17.34374812
  H     14.66644919      2.82032902    -10.23947110
  O     17.92153672      3.24187960    -14.84857498
  H     17.40427047      5.09117410    -18.86405423
  H     15.45925052      1.83141635     -9.34831066
  O     13.22173007      3.51785692    -10.94347130
  H     18.48479358      4.22275208    -19.54342456
  H     15.11285295      5.62799914    -16.47747077
  O     16.59294155      2.59346986    -17.16017423
  H     13.46660164      6.79731842     -9.53936048
  H     14.01768188      4.61435007    -16.85493651
  O     20.05650211      4.92154192    -14.09908093
  H     14.68657798      6.00916589    -10.07242522
  H     16.30326345      2.82026932    -11.63117199
  O     18.02654285      7.89441065    -16.65686921
  H     14.01670184      3.45814104    -14.51146842
  H     17.07457521      3.99698026    -12.28633913
  O     16.63824417      5.74224157    -15.54301028
  H     14.96619819      3.60638326    -13.28871619
  H     17.03004489      5.46171200    -10.40485411
  O     13.27880063      7.74724048    -15.59313941
  H     15.47522114      7.16525990    -13.15858531
  H     16.16515955      4.39071628     -9.70582180
  O     15.56048001      2.56705589     -9.94532824
  H     16.60467696      8.16503252    -13.61422940
  H     16.10530257      7.10043092    -19.07685933
  O     14.29694129      5.52588458    -16.99392557
  H     17.45170210      3.04464765    -14.02572086
  H     15.31667428      5.90933287    -18.49777910
  O     16.56736965      3.19400465    -12.47985200
  H     18.74901568      3.67100055    -14.60127140
  H     13.66485825      6.54713438    -12.09688116
  O     16.29974871      5.34379641     -9.78585863
  H     13.32772994      3.53785131    -11.90412718
  H     13.84211658      5.62361641    -13.33026505
  O     16.03701439      6.13872283    -19.10067821
  H     13.22795502      4.44107506    -10.66030806
  H     17.59563255      9.04548309    -15.34778888
  O     13.79153548      6.55083614    -13.05391181
  H     17.11623682      2.64836932    -16.34702091
  H     17.80337802     10.29086192    -14.45262418
  O     17.19268203      9.58377518    -14.64465991
  H     17.05305543      3.16619322    -17.78412223
  H     15.79542441      9.22305651    -17.96228935
  O     16.37522702      8.92275474    -18.68672182
  H     20.97392420      4.71777555    -13.93420810
  H     16.38629203      9.61987745    -19.33623905
          69
 Energy    -249.24068609844215     
  O     15.44193176      5.80751363    -13.90780721
  H     15.15088492      6.72038763    -13.80176723
  H     21.14455776      9.33948878    -15.37843784
  O     17.67028299     13.30827415    -11.30806449
  H     15.59091134      5.66321796    -14.85090984
  H     17.89318704      9.36392177    -15.38454777
  O     20.87623164      8.66332536    -13.82537847
  H     16.75866650     13.12985822    -11.04555807
  H     16.94132584      8.29599556    -15.96900425
  O     15.84266828      8.03869275    -17.44504162
  H     17.75531602     12.97185627    -12.21055914
  H     14.10237610     11.74782956    -14.70299668
  O     16.60639435     10.25765919     -9.48165061
  H     20.37202560      9.15751631    -13.16630054
  H     13.12838566     12.58483846    -15.54750753
  O     15.23018119      8.66791541    -13.51411594
  H     20.41847761      7.81552960    -13.90983221
  H     16.29619333      8.34330366    -12.01537978
  O     17.79534329     11.76163938    -13.68055817
  H     15.03841032      8.40218241    -17.04084322
  H     17.19740277      7.23338336    -11.43646236
  O     19.08107711      6.56133200    -14.13065738
  H     15.82647888      7.08127545    -17.32606698
  H     13.62259690      9.99151969    -15.99126376
  O     18.70454121      5.66013062    -16.75996484
  H     16.69280773      9.45283034    -10.00905465
  H     14.03152100      8.79529030    -15.12590038
  O     16.04300252      5.36020085    -16.67924254
  H     17.49323965     10.63449937     -9.42135817
  H     18.67654482     12.28928039    -10.28596332
  O     17.42095784      5.48746507    -12.09006158
  H     16.01778095      8.64859650    -14.08410351
  H     19.78156652     12.00196362     -9.23846800
  O     21.18409842      9.73096409    -16.27034208
  H     15.04835639      9.60194621    -13.33895665
  H     18.41117855      9.24945951    -11.82480474
  O     17.40549425      8.56155695    -15.16370810
  H     18.08812762     11.64512499    -14.59327282
  H     19.24743385     10.42434220    -11.24894889
  O     13.61747122     11.76602477    -15.54288018
  H     18.26472725     11.10033369    -13.15084147
  H     15.57511122     11.51201718    -10.11485933
  O     16.98302270      8.17097633    -11.35781484
  H     18.48074938      7.24473137    -14.46843660
  H     14.45579971     12.56072951     -9.90787320
  O     13.76106613      9.03348079    -16.01854263
  H     18.62678538      6.12777166    -13.39997450
  H     19.03070928      8.57130191    -18.31686788
  O     19.12998665     11.58190619     -9.79270078
  H     18.98032857      5.80818500    -15.84621153
  H     20.28939351      8.48455057    -17.44387838
  O     19.08722911      9.90433913    -12.04664341
  H     19.07717130      6.39384718    -17.26989877
  H     16.02601463     11.56235099    -13.43090269
  O     15.10035368     12.25036494    -10.53778779
  H     15.77221092      4.56174433    -17.12429051
  H     14.97467691     11.72913656    -12.29669422
  O     19.69724095      7.95567614    -17.99202185
  H     17.01640067      5.40101743    -16.73644497
  H     18.24790570     10.69085119    -17.02713210
  O     15.09507179     11.41805990    -13.20223864
  H     17.40385934      4.63747395    -11.65919872
  H     19.57350681     10.60485797    -16.22436245
  O     18.65084155     10.89196522    -16.17262032
  H     16.68157000      5.50004151    -12.72548541
  H     17.25137834     10.17743191    -19.39614583
  O     17.56122558      9.83496080    -18.56181466
  H     22.08616384     10.00364938    -16.41224662
  H     16.89197183      9.19876872    -18.25520166
          69
 Energy    -249.24064468971028     
  O     11.50561716     10.22094249    -14.60121761
  H     11.63341530      9.62995343    -15.35780083
  H     14.40284607      5.57007465    -15.90986822
  O     16.14248082      6.37477140    -13.36696101
  H     12.05104202     10.99970585    -14.75572403
  H     18.67035841      7.67847251    -13.91727921
  O     17.34957868     11.44435289    -12.63433097
  H     15.65272786      6.50724375    -12.54445071
  H     19.58741101      6.58254368    -13.32869702
  O     17.95213988     11.32080978    -15.25200368
  H     17.07340558      6.56478424    -13.19933974
  H     16.26494156     11.68032093    -16.04649966
  O     12.51959690      5.77288739    -15.65782899
  H     16.38694197     11.35111641    -12.67801520
  H     15.16996992     10.88826176    -16.78487080
  O     15.51777835      9.61237565     -8.93513974
  H     17.60005824     11.17615055    -11.74416814
  H     15.33537970      7.91099386    -14.05365366
  O     14.47681407      6.92918135    -11.18102973
  H     17.79284947     11.38432041    -14.29233449
  H     13.81738071      8.16650275    -14.04336095
  O     14.63866241     10.97170640    -12.93934542
  H     18.68478307     11.89991890    -15.44609885
  H     11.16624462      9.56481679    -13.07522254
  O     16.81454507      7.20827570    -17.46146209
  H     12.46620517      6.11094451    -14.74741593
  H     10.11617441      9.22268880    -11.98801762
  O     16.25000422      6.82185092     -9.03539084
  H     11.89581312      5.05331624    -15.71887359
  H     18.54698690      7.64996082    -11.35846902
  O     18.25337047      8.50570025    -15.35753222
  H     14.73249213      9.67190394     -9.49542773
  H     18.28371520      8.79053978    -10.34308605
  O     15.36643617      5.53007440    -15.91639518
  H     15.68670277      8.67036245     -8.81199064
  H     13.14210159      6.73990509    -12.46792256
  O     18.83669459      7.13480029    -13.12551827
  H     15.01412715      6.74387314    -10.40086457
  H     11.90381839      7.59766033    -12.84816023
  O     15.38222147     11.76185992    -16.42661976
  H     14.18942902      7.85010173    -11.09440137
  H     16.98949500     10.32150965     -9.58336720
  O     14.66270011      8.56685301    -14.27830827
  H     14.15155709     11.59559973    -13.49073998
  H     18.27466853     11.13614169     -9.31709447
  O     11.03181257      9.10539823    -12.22390100
  H     14.70761396     10.15012040    -13.45079603
  H     15.47384103      8.51188181    -17.34042733
  O     18.32232811      7.83037383    -10.43779374
  H     17.15437051      6.75672599    -18.22887253
  H     14.75381943      8.94514968    -16.04740046
  O     12.52266205      6.93606613    -13.18374745
  H     16.30633149      6.55202480    -16.94993629
  H     13.91685303     10.13212786    -11.54209311
  O     17.84302726     10.58882920     -9.96824869
  H     17.03728504      7.11969524     -9.52832544
  H     12.58388916      9.44067886    -11.18644799
  O     14.79934425      9.11192247    -17.00246029
  H     16.55674874      6.23126373     -8.35350696
  H     13.02780838     13.35966700    -15.04596883
  O     13.49651676      9.54692233    -10.89365400
  H     17.80322462      8.11882011    -16.11718338
  H     14.02531322     12.26159724    -15.48530599
  O     13.28422816     12.45648650    -14.88260378
  H     18.12342207      9.46102851    -15.39657295
  H     12.16168301      7.51671999    -16.43859471
  O     12.08969969      8.45309014    -16.65496243
  H     15.64871778      5.68209007    -15.00342746
  H     12.96564108      8.71162578    -16.97222253
          69
 Energy    -249.24028477635946     
  O     16.50377738     10.08897103    -11.53635006
  H     16.80355019     10.93561383    -11.17853335
  H     12.70455185      9.57062388    -10.44699944
  O     13.68046214      6.32596017     -7.56524047
  H     16.16109078      9.57772871    -10.78658414
  H     13.44401959     10.34463625     -7.96938676
  O     17.38828764     12.26974672    -10.16833677
  H     14.28085475      6.02744572     -8.26176723
  H     14.17573760      9.83613654     -6.70651030
  O     11.35868608      7.06866086     -9.02285848
  H     12.83660635      6.49665797     -8.00068050
  H     17.11338639      5.68139855    -13.59140427
  O     15.06303780      8.60513649    -13.30898600
  H     16.84674591     12.38743387     -9.37773687
  H     17.35032629      5.09902155    -12.18661347
  O     18.56107960      8.33262643    -12.08619663
  H     18.27605256     12.05931562     -9.85329449
  H     14.88309039      5.82396721    -10.64382686
  O     20.29810521      8.86794301    -10.06225278
  H     10.44814460      6.88493752     -8.80793405
  H     16.27713346      5.80580893     -9.97562123
  O     17.99468001      6.02504764    -10.54983135
  H     11.47359592      6.85284980     -9.96595975
  H     17.96797550      7.56082735    -15.16660043
  O     11.79517224      6.74860341    -11.66829155
  H     15.53663106      9.21637324    -12.72150556
  H     17.94128126      7.74668944    -13.63175809
  O     15.91302921     12.48159254     -7.70232567
  H     15.74031510      8.21320150    -13.87263213
  H     17.42884494     11.57471868     -7.06086104
  O     12.59505154      9.42504601    -12.35771598
  H     19.29721723      8.52229984    -11.48606822
  H     17.84843166     10.10128164     -6.93317412
  O     12.78765252      9.46081501     -9.49186115
  H     17.88764018      9.00556279    -11.91096850
  H     15.41107599      7.65964192     -9.63414455
  O     13.98041468     10.63000261     -7.21860867
  H     20.03952286      8.26165232     -9.35836853
  H     14.55922120      8.93884537     -9.41327998
  O     16.85809622      4.95796274    -13.00464722
  H     20.19957291      9.75986836     -9.70444584
  H     19.34166172     11.29000497     -8.16403471
  O     15.33040736      5.87162318     -9.78782245
  H     18.14690780      6.80642553    -11.10003948
  H     20.57362348     12.05061817     -8.71007718
  O     17.42929623      7.41871208    -14.39235215
  H     18.47781491      6.18806713     -9.73082988
  H     14.28539204      7.48459212     -6.43431264
  O     18.19002119     11.00386370     -6.89229629
  H     12.59400598      6.28574211    -11.95636009
  H     14.38052822      7.94525723     -4.95993758
  O     15.46373900      8.61779640     -9.51654799
  H     11.89789438      7.65249168    -11.98995324
  H     14.57140157      6.88491969    -12.66821978
  O     19.87602203     11.45102592     -8.96238315
  H     15.21099063     11.82841981     -7.53789197
  H     15.13806338      5.45144954    -12.67254514
  O     14.64651888      8.17324331     -5.84646765
  H     15.58661705     13.31538214     -7.37330319
  H     19.64984807      6.56952738     -7.43344694
  O     14.37350923      5.97878942    -12.39794816
  H     13.43545911      9.16911678    -12.77152890
  H     18.44793468      7.47810502     -7.77718335
  O     19.19415853      6.98760874     -8.15993713
  H     12.20027009     10.07774445    -12.93153670
  H     16.56715731      8.61692004     -8.09266521
  O     17.04224866      8.45561367     -7.26341355
  H     12.24824689      8.69480601     -9.25369110
  H     16.35037543      8.30763388     -6.60730114
          69
 Energy    -249.24002936819056     
  O      2.17474447     -0.91264147      4.35035640
  H      2.44755335      0.00808240      4.26646390
  H      0.33437168      1.13557447      1.55400003
  O     -2.41388085     -3.38918329      7.25508879
  H      1.51790422     -1.10883551      3.66771996
  H     -2.07507413      1.37998291      4.87547706
  O     -0.78089826     -0.13565354      9.63834518
  H     -1.47935078     -3.41637504      7.50678942
  H     -2.21640199      1.79854909      3.39833033
  O      1.88981090     -4.73112241      6.08909451
  H     -2.76998353     -2.59756008      7.67300297
  H     -2.73378898     -0.09549100      2.35678122
  O      0.13765048     -1.64433914      2.61711709
  H     -0.05906347     -0.74151945      9.84382710
  H     -1.80685955      0.68598582      1.41101236
  O      0.23260010     -4.12151960      4.04286298
  H     -0.37869110      0.58406775      9.13424108
  H     -1.30845523      3.12825776      5.60011800
  O      3.62367679     -2.46387517      6.15773105
  H      1.33016399     -4.53080541      5.31637608
  H     -1.37438914      4.34537750      6.53458883
  O      3.11550596      1.90057191      7.35167125
  H      2.13531633     -5.64942518      6.01900172
  H     -0.14665508      2.14640526      3.48491941
  O      3.37325730     -0.83246139      8.35947563
  H      0.17106544     -1.01804584      1.88328991
  H      1.40405622      2.13083491      3.55700477
  O      1.47967989     -1.87758229      9.95523805
  H     -0.76651452     -1.60178957      2.96034344
  H      0.27329054     -1.62567354      6.85536406
  O     -2.50916717     -1.58739645      3.54534080
  H      0.31770465     -3.36337530      3.45274305
  H      0.93658051     -0.86632250      5.66793097
  O      0.06390466      0.52181914      0.84594194
  H     -0.70970118     -4.20713874      4.23488262
  H     -3.15290512     -4.90004518      4.59788370
  O     -1.86400159      2.08992351      4.25102483
  H      3.22172771     -1.94957614      5.44361656
  H     -2.54751357     -3.89603956      5.60810295
  O     -2.61274187      0.76592738      1.93488979
  H      3.15903772     -3.30849190      6.15150606
  H      0.38189014      0.74281376      7.26268315
  O     -0.93568865      3.50739623      6.41218226
  H      2.16923633      1.83928614      7.57493888
  H     -0.05276143      2.25363263      7.32912367
  O      0.65737097      2.11128643      2.94988594
  H      3.49533502      2.54839584      7.94010469
  H     -2.30292052     -0.62852663      8.91815419
  O      0.25966032     -0.80162884      6.35250416
  H      3.53480922     -1.42569461      7.60898585
  H     -3.84233579     -0.66880172      9.04282618
  O     -2.55342168     -4.16249810      4.67063618
  H      3.39207480      0.06250234      8.00976416
  H      0.90154382     -3.77970455      7.31923005
  O      0.46790189      1.56578331      7.76892217
  H      1.88714347     -2.16184859     10.76858942
  H      0.73708124     -2.88326432      8.59928026
  O     -3.12219721     -0.87553639      8.45332854
  H      2.18299268     -1.47096540      9.41553510
  H      3.06013311      1.85533813      5.53185287
  O      0.29523481     -3.20371010      7.80281623
  H     -2.64042935     -2.50541514      3.81151053
  H      3.83722261      2.09588768      4.22258738
  O      2.99814522      1.79583191      4.56612221
  H     -2.54579263     -1.06853814      4.36203131
  H     -2.75900589     -0.26902981      6.71305660
  O     -2.32290925     -0.09332966      5.87237060
  H      0.40329663      0.87454785      0.02843014
  H     -1.40210286     -0.37834723      5.98664077
          69
 Energy    -249.23989332688743     
  O     16.78131998      9.41810630    -10.54100520
  H     15.97583324      9.12832425    -10.99107482
  H     13.37269792     10.17308483     -6.92985414
  O     14.30680718      5.71560547     -5.51612113
  H     17.42572336      8.69783965    -10.57202350
  H     13.80580198      8.85942536     -4.95742885
  O     17.22810737     12.05258968    -10.04980060
  H     14.65420711      6.41976136     -4.95487599
  H     12.58375448      8.39686634     -5.77312652
  O     11.84483329      6.79187816     -6.43077846
  H     13.41732602      5.99460706     -5.77145913
  H     15.20989573      5.78034164     -7.04079201
  O     14.38021440      8.52043924    -11.58100173
  H     17.23258749     12.55062051    -10.86300005
  H     15.66448211      6.98436104     -7.91481816
  O     18.62929703      7.36112784    -10.35277830
  H     17.06583932     11.12336938    -10.28948957
  H     17.50814734      6.38042473    -11.63992202
  O     20.50675901      8.93118103     -8.95472101
  H     11.96549070      6.83108893     -7.39598428
  H     16.50171167      6.46580402    -12.80891890
  O     18.25394862      5.39179705     -8.36846559
  H     10.96753338      6.45007112     -6.27982651
  H     18.08690373     11.90102897     -5.01625921
  O     12.20534930      6.98766848     -9.11214596
  H     13.66241041      9.00693020    -11.15893050
  H     17.67650800     10.59907790     -5.74466186
  O     15.69865627     12.29758736     -7.63938052
  H     14.41017746      7.64442137    -11.16535435
  H     15.10847013      8.07459294    -13.21912807
  O     12.35948827      9.70218583    -10.04168930
  H     18.49192691      6.65210843     -9.70968122
  H     15.04463935      7.53862978    -14.65633262
  O     13.61702139     10.52921587     -7.79803402
  H     19.34829812      7.89866840     -9.99509395
  H     14.97699471      9.31016131     -7.93103060
  O     13.07730496      9.18175202     -5.50057351
  H     21.43085632      9.10561511     -9.11294016
  H     16.17631294      9.00778539     -8.86865745
  O     15.67121178      6.01727793     -7.85716025
  H     20.09664810      9.78467923     -8.72722561
  H     18.90724103     11.40688807     -7.43113371
  O     16.76522088      5.92493159    -12.05108453
  H     18.36419702      4.45433775     -8.50444470
  H     18.67917301     11.62533853     -8.93629114
  O     17.84101611     11.54893060     -5.86784777
  H     17.31630909      5.53705995     -8.15292096
  H     16.08204610      8.29642528     -4.63758365
  O     15.64668577      7.69763720    -13.93257941
  H     12.17069007      7.88755104     -9.45748933
  H     15.57940069      8.04480382     -3.19852329
  O     15.76215716      8.75817292     -8.03348579
  H     12.89982938      6.53448089     -9.60577243
  H     14.91457432      5.90904281     -9.50567372
  O     19.30592087     11.26338800     -8.29762336
  H     16.16689775     12.31795447     -8.48337346
  H     15.29410265      5.82836806    -11.00427199
  O     15.31347062      8.01603273     -4.11429579
  H     16.37432868     12.12820211     -6.97229570
  H     19.10445298      6.63527897     -7.20246183
  O     14.55978659      6.01437070    -10.39935849
  H     11.61287653     10.26609066    -10.22512514
  H     19.89370658      7.93235805     -7.43907190
  O     19.44006076      7.42301160     -6.75617913
  H     12.78554953     10.05239250     -9.23901653
  H     16.77223684      8.85947510     -6.58419889
  O     17.32964459      8.85696525     -5.79068505
  H     14.26728366     11.23874511     -7.68707132
  H     18.11818733      8.33887158     -6.00970448
          69
 Energy    -249.23911833920113     
  O     15.04150735     10.52285066    -14.77036380
  H     15.09956876     10.30805141    -15.71823169
  H     18.14182496      2.92569619    -18.13455760
  O     15.07088445      3.54630727    -16.57079314
  H     14.50657560     11.30904710    -14.70146860
  H     20.13339925      7.46118020    -14.52787181
  O     17.38274804      7.19580980    -11.81848871
  H     15.97152053      3.43766867    -16.89724604
  H     19.84259406      6.08822765    -15.16779141
  O     20.01279807      7.45738646    -17.89986031
  H     15.10977946      3.46226659    -15.60659063
  H     18.77079944      8.68888983    -17.30756070
  O     17.65758251      5.99299749    -18.72955176
  H     18.17981004      7.64053531    -12.12974124
  H     17.57383936      8.30395544    -16.41091686
  O     13.00855125      5.76402763    -11.03568574
  H     16.64146674      7.60023028    -12.29638827
  H     15.90863017      6.64076300    -15.96053887
  O     15.11957195      3.76642700    -13.79197376
  H     20.84835458      7.53697293    -18.35136930
  H     16.36871165      7.42217648    -14.71602556
  O     15.35443879      8.14839612    -13.36497392
  H     20.21401801      7.24901312    -16.96922745
  H     17.15223560      2.82985558     -9.83549728
  O     18.45519575      4.87237399    -15.15477144
  H     16.88658268      6.56817299    -18.78367490
  H     16.98604938      3.69509938    -11.10507312
  O     13.91793291      3.03140782    -11.42713522
  H     18.42022330      6.54348972    -18.51410366
  H     14.43872013      5.16232396    -16.65252030
  O     17.94887184     10.34344936    -14.39951192
  H     12.36301548      6.06380894    -10.40112051
  H     13.76098529      6.20904799    -15.71818594
  O     17.76354202      3.56362819    -17.53569043
  H     13.88413384      5.94290299    -10.64849538
  H     20.20125288      9.05653941    -12.59181681
  O     20.37537170      6.88998681    -15.26545418
  H     15.97417601      4.03065352    -13.43010016
  H     18.95873344      9.25122537    -13.48927477
  O     18.01270123      9.05556232    -16.84046968
  H     14.62790177      3.35901153    -13.06408167
  H     17.51588097      5.45180142    -12.30366919
  O     16.69334906      6.97540190    -15.50842910
  H     15.12258666      8.98159680    -13.79455090
  H     18.01402826      4.51750664    -13.43877007
  O     16.53890771      3.39822269    -10.29400956
  H     14.63927188      7.51156137    -13.50389760
  H     15.87017523      5.15502864     -9.92507651
  O     14.21285104      6.10392231    -16.56231197
  H     18.32210622      4.29479942    -15.91552869
  H     16.19554465      6.55208461    -10.48075979
  O     19.51651652      8.58053882    -13.05606289
  H     17.84486376      5.61827930    -15.27303281
  H     14.53865607      7.21078171    -19.55645224
  O     17.56335803      4.52584060    -12.58344606
  H     14.74393047      3.03906677    -10.92610531
  H     14.66663686      6.93626215    -18.04260422
  O     15.51946003      6.05087684    -10.00754615
  H     13.48210929      3.86993392    -11.23076249
  H     14.11382152      5.29055749    -13.85628281
  O     15.07923747      7.39880975    -18.79252708
  H     18.09812374     10.01474886    -15.29876706
  H     13.18379030      6.03819576    -12.89039773
  O     13.56036627      6.08288825    -13.77870755
  H     17.00801103     10.54097541    -14.35989648
  H     15.15292777      9.12888496    -17.92568875
  O     15.43502080      9.87605797    -17.38677446
  H     17.71385847      4.40900427    -18.01821569
  H     16.39458937      9.76400758    -17.31637644
          69
 Energy    -249.23858562922845     
  O     10.46572682      8.88846310    -11.87360228
  H     11.11999074      9.32108033    -12.44727946
  H     16.61266863      6.32192540    -16.74351228
  O     14.31619027      5.96046272    -14.62156841
  H      9.74445710      9.50442921    -11.77031417
  H     18.32846363      6.76323303    -15.23654816
  O     15.77734093     12.16768097    -12.67119464
  H     13.53290462      6.49331507    -14.82449774
  H     17.96034550      7.98196298    -16.10055013
  O     15.13584333     10.73088601    -17.09358893
  H     14.78740090      5.80629540    -15.44997756
  H     14.28549173     11.52149944    -15.59691777
  O     12.21967928      7.66089391    -15.14200072
  H     15.94050819     13.00754839    -12.25059808
  H     14.52875678     12.02856044    -14.15644654
  O     17.17652385      7.37657209     -9.59757326
  H     16.64778804     11.77041880    -12.85376418
  H     15.33891877      7.34362427    -14.05984557
  O     14.30246802      5.27159312    -11.95454676
  H     15.10752252     11.14127833    -17.95378705
  H     16.78571429      7.52716118    -13.54526055
  O     14.77462906      9.65506123    -11.92810951
  H     14.70511509      9.86109732    -17.18362645
  H     11.29454079      7.83312465    -10.52437638
  O     14.01976852      8.27733551    -17.23455564
  H     12.33277884      8.47182593    -14.62765536
  H     12.64856396      7.38925817     -9.91111948
  O     17.08471797      5.11010632    -11.45799259
  H     11.53086912      7.15379555    -14.68736560
  H     18.27596677      8.28219801    -10.77468582
  O     17.22669624      9.65683388    -15.55298236
  H     16.22271182      7.45948901     -9.76714224
  H     19.70451519      8.83101583    -10.96901066
  O     15.74530401      5.97993766    -17.02380667
  H     17.27164691      7.23669019     -8.65832571
  H     11.58328569      5.60596255    -10.74531272
  O     18.08950032      7.02472506    -16.13581870
  H     14.31126243      5.43168237    -12.90951255
  H     11.13607398      4.12560334    -10.82559233
  O     13.83737063     11.83181035    -14.80031169
  H     13.41409077      4.96543520    -11.73454512
  H     18.34861659     10.12982486    -12.60203486
  O     15.95913294      7.99812480    -13.71532482
  H     15.08922977     10.55899044    -12.04646578
  H     17.94567906     10.48354937    -14.05896316
  O     11.71031686      7.16699996     -9.96195747
  H     15.25004451      9.10107870    -12.56968029
  H     18.74313735      7.30977655    -12.76507606
  O     18.87986417      8.67336575    -11.42502021
  H     13.29421957      8.06303302    -16.63363001
  H     17.98870737      5.95617731    -12.76200045
  O     11.60531057      4.80585038    -11.30121840
  H     14.59595989      7.50433297    -17.25606296
  H     14.45654049      6.76416027    -10.89522614
  O     18.08514418     10.85676726    -13.17667094
  H     16.13471694      5.01244658    -11.60962863
  H     14.56096638      8.32518808    -10.80070769
  O     18.36776807      6.63451415    -13.34266263
  H     17.17100052      5.73711807    -10.73150206
  H     13.20627228      9.72887116    -12.84712441
  O     14.52867140      7.50844349    -10.27852312
  H     16.60723438     10.11001226    -16.13759328
  H     12.76756378     10.62812885    -14.00804478
  O     12.47154916      9.89094470    -13.45465997
  H     16.68802270      9.10628490    -14.96343465
  H     10.32544506      7.23058097    -12.86992073
  O     10.47651565      6.44231079    -13.40692218
  H     15.91140438      5.33527683    -17.70631001
  H     10.82398836      5.77929603    -12.79910785
          69
 Energy    -249.23839947916713     
  O     18.03046645      4.98008588     -9.91855542
  H     17.14719627      4.58756553     -9.94844906
  H     16.63914754      7.97016033    -15.50361418
  O     18.01188569      9.16302521    -15.06675412
  H     17.96066815      5.71943340     -9.30323202
  H     16.25326881      7.27290657    -11.32598658
  O     13.29133896      8.02899224    -12.12636020
  H     18.71785792      9.49712893    -15.61330975
  H     15.52224289      5.90794579    -11.06994221
  O     11.80051529      6.16370394    -13.63521169
  H     18.43070726      8.70062067    -14.31751836
  H     19.94946306      4.50360263    -12.37729265
  O     16.06328288     10.73832474    -13.69215062
  H     14.10731588      7.53515684    -11.94559453
  H     18.81852880      5.05277320    -11.47909791
  O     17.47945449      8.50854483    -10.73836534
  H     12.66840542      7.39196550    -12.49346319
  H     14.65046153     10.11853458    -10.21395766
  O     19.06604986      7.90001332    -12.92978370
  H     12.52844160      5.81994416    -14.16926197
  H     13.57133922      9.10222672    -10.62777385
  O     11.95313075      4.63883602    -11.24188776
  H     11.37856732      6.80427210    -14.21930751
  H     14.49366281      8.22078347     -8.77139903
  O     17.48285168      7.25211859     -8.25334343
  H     16.78247397     10.29428300    -14.15779830
  H     14.15700695      6.75155109     -8.42565107
  O     11.68408174      8.03199257    -15.81057246
  H     15.25032740     10.35033713    -14.03870618
  H     13.70373019      8.82055390    -13.68586304
  O     13.55507936      5.82540447    -15.90246511
  H     17.06423990      9.38058005    -10.72539609
  H     14.61879354      8.48219851    -14.89356032
  O     15.92917893      7.31641068    -15.47652389
  H     17.57028673      8.19645296     -9.82897030
  H     16.40714832     11.86798459    -10.76932356
  O     15.60318376      6.65160617    -11.68088030
  H     18.58561525      8.17990870    -12.13737920
  H     16.12732100     10.93329770    -11.96876916
  O     19.20120611      5.09419429    -12.37398620
  H     19.23129978      6.95848176    -12.80885148
  H     12.46057727      4.94190099     -8.15253979
  O     13.95838486      9.54729271     -9.86153444
  H     11.74258380      5.13999035    -12.03821236
  H     12.58532685      5.12983426     -9.67952933
  O     14.81159104      7.44381810     -8.28718416
  H     12.52678314      3.91681179    -11.53027283
  H     17.64898139      5.12589824    -13.43103035
  O     13.93187785      9.09241624    -14.58824466
  H     17.80282961      7.44795381     -7.37746501
  H     16.31568803      5.80136580    -13.05393755
  O     16.18134936     10.97008934    -10.99699008
  H     16.50842715      7.29385333     -8.21328322
  H     14.61936533      4.55803518     -9.56242759
  O     13.04782515      5.26118967     -8.83296571
  H     12.43088060      8.52951324    -15.43620210
  H     14.92955237      3.68205042    -10.79931090
  O     16.76201897      5.30756337    -13.76044961
  H     11.20342218      8.63970291    -16.36596724
  H     14.13075901      3.02123113    -12.91717961
  O     15.32796912      4.28793070    -10.16098954
  H     12.86873449      6.46946451    -16.11219665
  H     13.79955743      1.76754341    -12.07464126
  O     13.89827791      2.71436553    -12.02230459
  H     14.38733631      6.31866166    -15.89925046
  H     14.17250619      4.23332498    -15.07411582
  O     14.61980580      3.67865934    -14.42449064
  H     16.27220344      6.59115994    -14.93401309
  H     15.45213251      4.13383230    -14.22928744
          69
 Energy    -249.23806954915557     
  O     16.27648681     10.34288809    -15.10513143
  H     17.14419292      9.93774680    -15.24804104
  H     14.29759430     10.75713150    -12.42246764
  O     15.38825768      7.29658796     -9.00152903
  H     16.31082161     11.27087914    -15.36305728
  H     13.17153317     10.96593120    -10.75545498
  O     16.27221957     13.10911287    -15.51831752
  H     15.69426474      6.82866893     -8.23004073
  H     12.54811247     11.37012556     -9.40038013
  O     12.85501813      7.92993336    -10.11738852
  H     15.56649600      8.24370047     -8.84949896
  H     16.19185885      5.37628536    -14.16217668
  O     14.69107569      8.16546830    -15.65175669
  H     15.71761330     13.27587131    -14.73359601
  H     17.04017152      4.13663804    -14.51428699
  O     18.65072280      8.95177974    -15.25488279
  H     15.94327514     13.66824869    -16.21625486
  H     15.59218119      6.95262898    -12.26253715
  O     20.32010695     10.95122823    -14.19429703
  H     12.86166064      8.88636469     -9.99204389
  H     15.92731024      7.27362572    -10.75733535
  O     18.52535347      7.16718915    -13.09527220
  H     13.64364273      7.60345377     -9.66723713
  H     17.12499370      6.25413809    -16.02757360
  O     12.17972264      6.76817301    -12.46427827
  H     15.11815118      9.01312999    -15.45988900
  H     17.65427323      7.65557564    -16.36988098
  O     14.91424211     13.42621919    -13.20640203
  H     15.34835040      7.68644520    -16.17658998
  H     17.41258288     12.62005213    -11.05166697
  O     12.43045018      9.12452125    -14.13126605
  H     18.61422243      8.34293216    -14.50250079
  H     17.39940762     14.14005357    -10.77370097
  O     13.40422387     11.13316211    -12.49083345
  H     19.30923875      9.61936143    -15.02447284
  H     16.07679617     10.14226725    -13.36229932
  O     13.16166411     10.76186248     -9.80482050
  H     21.17303760     11.30163851    -14.43695821
  H     15.94594263      9.10736165    -12.18208490
  O     17.06879054      5.08920763    -14.46477257
  H     19.72435574     11.71395721    -14.08630296
  H     18.20100475     13.23552953    -13.04336467
  O     16.19476884      7.42468229    -11.67136553
  H     17.77854363      7.31385955    -12.49475382
  H     17.89268768     13.11971188    -14.54482428
  O     17.00974553      6.98985356    -16.64100612
  H     18.29093193      6.36118665    -13.56925693
  H     18.48732560     10.46227064    -10.86644249
  O     17.19413458     13.48559217    -11.43675208
  H     12.39142031      7.18067748    -11.60775076
  H     17.01413975     10.66194139    -11.26523348
  O     15.87976373     10.04192958    -12.42048140
  H     11.35138077      6.30964564    -12.35127114
  H     14.65886604      6.93082031    -14.34388968
  O     18.59890751     13.01910772    -13.89479858
  H     15.59113751     13.45584722    -12.51869931
  H     13.77305519      6.27070312    -13.25763817
  O     17.68157739     10.93312358    -10.61292265
  H     14.28729353     12.73360839    -12.96089405
  H     20.01900480      9.99802820    -12.55976055
  O     14.65468413      6.25174921    -13.65093583
  H     13.06646263      8.82711901    -14.79334598
  H     19.48789088      8.62239774    -12.13521993
  O     19.73386725      9.48829007    -11.79077293
  H     12.24180298      8.34816578    -13.59090562
  H     14.91991889     10.35130608     -9.12093118
  O     15.74018575      9.95797447     -8.79778789
  H     12.92784244     10.54641350    -13.09446025
  H     16.46440643     10.34385402     -9.30771550
          69
 Energy    -249.23768408781126     
  O     15.22921078     12.76851021    -16.10461221
  H     14.89064815     13.65856053    -16.15296594
  H     15.93439848      5.05593165    -15.31754362
  O     15.41370721      5.94209946    -13.76216517
  H     14.64441663     12.28145529    -15.49765534
  H     19.64544753      5.52174670    -12.37611854
  O     18.16170353      8.52234984    -11.40413823
  H     15.92936796      5.80859262    -12.95502097
  H     18.26952196      4.99129112    -11.94494117
  O     18.83589533      7.76641307    -17.73712659
  H     14.68813460      6.53449160    -13.52106790
  H     18.85992788     11.06296703    -18.63762408
  O     16.36344747      6.34584401    -18.27733807
  H     17.92386582      9.18621943    -12.07013278
  H     17.46158424     10.67847573    -18.10136567
  O     16.04425632      9.30108859     -9.75695733
  H     18.99025656      8.13564712    -11.71218765
  H     17.80698576      7.59858173    -15.07533364
  O     13.60576502      7.90152264    -12.97093405
  H     18.70024792      8.71882296    -17.82331462
  H     16.42121832      7.25283472    -14.46317233
  O     17.34490983     10.20775533    -13.41412728
  H     18.01596804      7.33724440    -18.00847109
  H     13.96930164     11.07915133    -13.58864876
  O     18.95714011      4.09223010    -15.02168717
  H     16.37361488      5.73548191    -17.51705030
  H     13.23565279     10.52937614    -14.82937079
  O     14.44843423      6.96291704    -10.35025105
  H     16.21081531      5.81506800    -19.05426935
  H     11.99850622      8.63477441    -16.07335241
  O     19.50040432      6.85384572    -15.28737138
  H     16.85534218      9.03237704    -10.21856205
  H     13.54508044      8.62676796    -16.05168875
  O     16.40951335      4.74217130    -16.09874366
  H     16.31580438      9.65881029     -8.91506968
  H     20.09354338      7.23517172    -13.64756427
  O     19.08618719      4.73583931    -12.39571636
  H     14.06381289      8.70816340    -12.69335891
  H     21.27753291      7.54679840    -12.70614264
  O     18.41752919     10.56885835    -17.95137208
  H     13.15359558      8.12876190    -13.79230737
  H     15.98944803      6.15778164    -10.90272255
  O     16.93886049      7.96348460    -14.86540862
  H     17.62011434     10.90163644    -14.02794888
  H     17.27481129      6.85268906    -11.40323675
  O     13.63223376     11.32666374    -14.45937723
  H     17.18171736      9.41722392    -13.95258279
  H     15.47599250     11.54748675    -17.50873109
  O     12.75367753      8.80467567    -15.51590856
  H     19.48378039      3.31819250    -15.20261016
  H     15.41620286     10.01939998    -17.73689492
  O     20.35490496      7.30373663    -12.71298330
  H     18.97130177      4.22146642    -14.05631247
  H     15.13533630     10.09514269    -11.26014083
  O     16.82444510      5.99835836    -11.36606382
  H     13.96568089      7.20613679    -11.14985089
  H     15.74557951     10.33775348    -12.65349826
  O     15.72582465     10.84794111    -18.12643740
  H     14.85710969      7.77612623    -10.02756050
  H     17.02266663     12.31072990    -15.66050358
  O     14.90215421     10.26352110    -12.17944950
  H     19.41494792      7.17950148    -16.19747734
  H     18.18829021     11.48337925    -16.23560510
  O     17.89115946     11.94687787    -15.44388103
  H     19.36238778      5.89802241    -15.30433296
  H     15.76070455      8.37655859    -16.16791009
  O     15.10362477      8.39630507    -16.87961277
  H     17.25905799      4.41932495    -15.77460051
  H     15.38005307      7.70383623    -17.49323660
          69
 Energy    -249.23762139831297     
  O     17.02051060     12.17878034    -17.33223926
  H     17.13210213     12.77722829    -18.06628711
  H     14.64136149      6.60171050    -13.85736598
  O     15.56126668      7.72248807    -12.82705862
  H     16.07854421     12.21329020    -17.08583209
  H     15.96040471      4.22604500    -15.57446376
  O     18.35920581     12.47497717    -14.83083386
  H     15.13290888      8.14354764    -12.07253673
  H     15.17391891      4.25166785    -14.28224206
  O     18.63335814      5.91023091    -16.28013242
  H     15.64321822      8.40218430    -13.51550984
  H     14.90798720      9.62896547    -15.32253802
  O     15.35972747      8.05299791    -18.31492533
  H     17.59163556     12.44354234    -14.24241621
  H     16.42485799      9.48100786    -15.50121843
  O     16.52970343     10.74098229    -10.99041983
  H     17.99304721     12.46755595    -15.72220966
  H     12.49272606      9.41428362    -13.62970292
  O     12.12495143      7.92965353    -14.82697551
  H     18.98444820      6.77888320    -16.04872669
  H     13.22514083      9.88164562    -12.34585852
  O     13.35587169     12.67654165    -14.05161854
  H     18.73714131      5.36444486    -15.49079583
  H     18.80369522      8.66138616    -12.02046629
  O     18.43799442      4.43058383    -13.81380900
  H     16.13411751      8.51521511    -17.94653276
  H     19.43901107     10.00962981    -12.39646427
  O     14.29296282      9.28461784    -10.89729071
  H     15.45187608      8.07249482    -19.26428239
  H     14.05800625      8.91797071    -17.27136207
  O     15.91538489      5.78486817    -16.71314500
  H     16.38495951     11.31603754    -11.75329608
  H     12.97034200      8.93756045    -16.14633222
  O     14.13939080      6.12733202    -14.53751388
  H     17.39462563     10.32973616    -11.13085710
  H     19.67445155      9.25234785    -14.88311556
  O     15.91519380      3.80556403    -14.70373874
  H     11.27200702      7.50333806    -14.84477210
  H     18.82075801      8.03507249    -14.46777435
  O     15.73858651      9.58259314    -14.83207766
  H     12.78829885      7.22619577    -14.71732017
  H     18.36652631      6.18577737    -13.15642730
  O     12.74557202     10.19404232    -13.12372053
  H     12.71305911     13.29894817    -13.72290817
  H     17.29898366      7.27362644    -12.86044872
  O     18.94483343      9.56160325    -11.70070627
  H     13.08527006     11.79775455    -13.72914967
  H     21.10159706     11.20704694    -13.91696151
  O     13.57526077      9.48823978    -16.65864177
  H     17.54330261      4.13934029    -14.05935173
  H     19.61460741     11.41750062    -14.29008332
  O     19.17908992      8.50282754    -15.23681253
  H     18.90518469      3.65616990    -13.51146797
  H     18.13175853      9.13534187    -16.55266883
  O     18.24763091      7.12785169    -12.98928341
  H     15.09889282      9.83468806    -10.85923583
  H     17.40770880     10.37163683    -17.22129552
  O     20.26628267     10.75499540    -13.99783883
  H     14.01073927      9.14736716     -9.99767634
  H     15.15188008     12.41546870    -13.55561540
  O     17.39769125      9.41033075    -17.12065630
  H     16.87762823      5.86454484    -16.61759837
  H     15.95613886     11.14678931    -13.89077473
  O     16.01207253     11.99859323    -13.43179627
  H     15.65135641      6.45480270    -17.35204548
  H     14.00062798     11.28260563    -16.79891049
  O     14.38252914     12.16176995    -16.67052033
  H     14.72610365      6.04448773    -15.30275509
  H     14.02850235     12.46949292    -15.82756493
          69
 Energy    -249.23757782384166     
  O     12.02720238     11.22478422    -10.98246417
  H     12.86086716     11.44735913    -11.41469727
  H     15.72257991      6.55264730    -17.36277089
  O     13.24004957      7.88537183    -15.16822343
  H     11.37949236     11.12013031    -11.69134557
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  O     17.98974027      8.73196437    -17.55754463
  H     13.38252843      7.60972491    -16.08144735
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  O     12.61539955     10.52928632    -14.60342596
  H     14.11469139      8.09752509    -14.80100929
  H     16.37043418      8.87041159    -14.44489707
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  H     17.56902052      7.85953668    -17.44759968
  H     15.61313834      8.65296491    -13.10507112
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  H     18.63462925      8.64214650    -18.25403119
  H     11.78622707      9.81329875     -9.97999209
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  H     12.74726151      9.60211952    -14.84694012
  H     11.23943955      9.16991020     -8.68199337
  O     15.28581671      9.58885281    -18.10304086
  H     11.74460810     10.58401499    -14.19160397
  H     20.02656711      7.17398213    -13.36234603
  O     14.83515960      4.47388543    -13.07820649
  H     15.55879780      5.09013249    -11.35751798
  H     18.67870329      7.46153076    -12.65784045
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  H     15.14614994      6.18589231    -10.37137224
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  H     13.32542946      5.64545480    -12.95636617
  H     10.77483685      8.19467334    -11.10173745
  O     16.65456028      6.40759458    -17.15615930
  H     12.81164861      6.88540035    -13.72404442
  H     16.29290562      6.74637233    -14.22412143
  O     16.66910750     11.95789293    -14.21900019
  H     14.92748001      8.69822720    -11.02184987
  H     17.70037390      6.16805508    -14.11415515
  O     15.63956127      8.39178456    -14.03561578
  H     15.14288863     10.09220582    -11.69638015
  H     17.16159271      8.29186015    -11.19507917
  O     11.59903703      8.96426634     -9.54031412
  H     16.23322537      9.44976574    -18.00324215
  H     17.24526305      6.77830104    -10.96171125
  O     19.11629460      7.40183582    -13.52905315
  H     15.05022147     10.32498066    -17.51831029
  H     13.87080912     11.30523678    -15.77026007
  O     10.50653164      7.97909217    -12.00413744
  H     14.84513600      3.54807117    -13.30986055
  H     15.32981428     11.78246386    -15.62881389
  O     16.80034408      5.93060506    -14.36401678
  H     15.56291271      4.89063713    -13.56827518
  H     13.35628583      7.10880646    -11.33457473
  O     17.77364168      7.54519148    -11.22586010
  H     18.04798101      9.37950731    -15.85695442
  H     13.02448332      7.91373591    -10.04735581
  O     14.65770406     11.54619144    -16.27684320
  H     18.46448285      8.91669788    -14.42995148
  H     15.14973139     11.74700528    -13.07256357
  O     13.73309493      7.45181845    -10.51147724
  H     13.49718558      7.03404486    -18.56662850
  H     13.76073004     11.11211030    -13.30292213
  O     14.35154782     11.45599313    -12.61577332
  H     14.40574610      8.12834761    -17.95163880
  H      9.33912367     10.65166062    -13.27125796
  O     10.25613005     10.45264019    -13.10365085
  H     16.69417969      6.10307843    -16.24112330
  H     10.29101473      9.53665779    -12.77374383
          69
 Energy    -249.23713151254520     
  O      3.26694527      0.11336737     -2.75890668
  H      3.24153102      0.41981389     -1.84054195
  H      3.36560899      2.15887320     -0.54268319
  O      0.81627762     -0.07254727     -3.97295030
  H      3.83141072     -0.66819517     -2.77088405
  H      0.11851508     -2.38552658      0.56664436
  O      2.25560367     -3.42315591     -1.82361256
  H      1.69787864     -0.04394699     -3.56549475
  H     -1.17161839     -2.96831932      0.00451129
  O      2.66717624      3.77936774     -1.09523629
  H      0.68305116      0.78395549     -4.39563629
  H      5.59113794     -2.56823523     -2.66583253
  O     -0.73563571      3.87237394      0.61969106
  H      1.66087413     -3.33014932     -2.57830267
  H      4.93150137     -1.88311499     -1.44273963
  O      1.96978228      4.12829867      1.63721801
  H      3.13403215     -3.12405322     -2.09418688
  H     -1.46372407     -1.45219303     -1.62613748
  O      0.11681021      2.99662969     -1.95934690
  H      2.55023195      4.09972267     -0.19262578
  H     -1.06267235     -2.67107999     -2.45476276
  O      3.26557550      2.79854061     -3.70685631
  H      1.78032547      3.53360050     -1.40015690
  H      2.72982843     -1.76016010      2.66940664
  O      1.86052105     -4.36040828      0.89528215
  H     -0.56491860      3.76972789     -0.32584053
  H      2.77575844     -2.98359121      1.68603951
  O      1.72350385      1.37933913      1.98601750
  H      0.10608312      4.13977393      1.00737365
  H     -0.94405265      0.82331734      0.25641819
  O     -0.32595423      0.24436696     -1.44973225
  H      1.94662495      3.18271350      1.85907780
  H     -1.04392095      2.13792522      1.06982270
  O      3.48776072      1.25851545     -0.21577370
  H      2.29932597      4.58342205      2.40825222
  H      1.70640865     -0.79768942      4.80959498
  O     -0.62791547     -2.95566279      0.80270273
  H      0.18213045      3.00080036     -2.92171965
  H      0.77524924     -0.90612165      3.57663853
  O      4.76048934     -2.23730511     -2.33592217
  H     -0.04876412      2.07902311     -1.70497449
  H      4.68405265     -0.20228379      0.02967131
  O     -1.65042632     -2.39007888     -1.74415761
  H      3.44975672      1.87960823     -3.47060058
  H      4.52802225     -1.52497073      0.80237840
  O      3.16789805     -2.12023055      1.88954258
  H      3.25772816      3.28941527     -2.87510595
  H      0.61178180      3.19111704     -5.48939950
  O     -0.95146654      1.17699313      1.15373204
  H      2.04745889     -4.26840292     -0.04782737
  H      1.68150555      2.76650133     -4.45110364
  O      1.69394446     -0.73856773      3.85840807
  H      0.92006436     -4.15913337      0.98467054
  H      1.72253603     -2.02093956     -0.80732470
  O      5.03037988     -1.10183157      0.09172445
  H      1.84293380      0.74146133      2.69936223
  H      2.07957606     -1.40467152      0.55790868
  O      0.75018345      2.65164228     -4.71580523
  H      0.80983527      1.28072591      1.68160312
  H     -0.89347414     -1.81990936      2.26735087
  O      1.47000056     -1.32306295     -0.18541497
  H     -0.07460781      0.14805899     -2.37798458
  H     -1.02535557     -0.28421871      2.36826476
  O     -0.79024646     -1.07362113      2.87301887
  H      0.34185402     -0.25112708     -0.94519330
  H      0.48790212     -1.84726429     -4.00260389
  O      0.35867703     -2.79564398     -3.83830945
  H      2.88904027      1.17190607      0.53730723
  H      0.12862992     -3.19051880     -4.67639400
          69
 Energy    -249.23682955176264     
  O     13.02492304     10.69909151    -15.62204461
  H     13.70177766     11.38268407    -15.56613738
  H     16.68593111     10.37760503    -17.76185853
  O     17.27644997      6.58681259    -14.16474732
  H     13.46543583      9.93445153    -16.01886257
  H     17.49661378      9.52593844    -15.22614286
  O     18.26261164     10.25045313    -11.76122664
  H     17.94548840      6.69442035    -13.47653886
  H     16.43706663      9.79036570    -14.12708486
  O     19.07022648     10.34315970    -15.81487865
  H     17.04175862      7.49656544    -14.41237583
  H     12.12989358      9.98938350    -14.31744065
  O     14.72492934      9.01829255     -9.39046690
  H     18.07458609     10.03007488    -10.83671006
  H     10.80994393      9.72055992    -13.55409376
  O     14.88252204      6.68855312    -12.69975414
  H     17.45695438     10.62908205    -12.13750129
  H     18.99358861      6.01765016     -9.35312595
  O     15.92245106     11.09631242    -12.97854890
  H     19.50345034     10.67164107    -15.01720183
  H     18.64740504      6.83332783    -10.61961398
  O     18.22989714      6.81185677    -16.85453033
  H     19.62256451      9.62610028    -16.15344534
  H     12.34964871      7.72981974    -14.25461816
  O     15.50665305      6.31772089    -10.05303089
  H     14.43318215      9.17679741    -10.30301542
  H     13.49519075      6.74613647    -13.93782812
  O     20.57765171      8.09048728    -16.54933782
  H     14.02455834      9.32655983     -8.82067995
  H     19.62869074     10.76406898    -12.73481042
  O     21.18021241      8.24361604    -13.75853615
  H     15.05909498      6.41838271    -11.78681040
  H     20.81287021     11.71735680    -13.01736279
  O     16.89201929     11.21015045    -17.32176795
  H     15.68407117      6.51902107    -13.21029319
  H     18.68024031      8.43019594    -12.09614321
  O     16.70635963      9.16191798    -14.80696633
  H     15.17627624     10.57050487    -12.65460692
  H     19.86559040      7.64262666    -12.70016452
  O     11.73571869      9.49557724    -13.57510368
  H     15.63430123     11.62600090    -13.73294964
  H     16.59674180      9.28276845     -9.24684268
  O     18.32924126      6.58560519     -9.73462659
  H     17.56761547      7.32500069    -17.33237112
  H     17.86020432      8.40087917     -9.27658552
  O     12.88701615      7.02683659    -14.63661572
  H     17.84653637      6.55363651    -16.00648556
  H     15.59045830      8.41707799    -17.70838885
  O     20.33102747     10.97589970    -13.37424364
  H     16.46094961      6.30145596     -9.90623309
  H     16.05048135      8.25381092    -19.17479813
  O     19.04495811      7.54063476    -12.19623583
  H     15.19861741      7.15179888     -9.67877738
  H     14.38327298      8.38982835    -12.32551063
  O     17.56050352      9.31824401     -9.29721714
  H     19.77299363      7.55778470    -16.68459736
  H     13.19390873      9.37958208    -12.48843576
  O     16.35446523      8.50446007    -18.30569521
  H     21.17661366      7.87040023    -17.25737038
  H     15.84610679     11.97378351    -16.11457327
  O     14.05325928      9.26288358    -12.06305021
  H     21.05552567      8.09981351    -14.70502428
  H     15.30216107     13.32962728    -15.61727464
  O     15.30341971     12.39516755    -15.42491263
  H     21.06584852      9.19247655    -13.62212030
  H     15.24080745      8.69699344    -15.76461798
  O     14.50895156      8.43106078    -16.34181941
  H     17.74799235     11.06403978    -16.89428730
  H     13.94177072      7.82970078    -15.83787048
          69
 Energy    -249.23675412170701     
  O     16.03352718     12.10698064    -12.71017023
  H     16.61263028     11.51059846    -12.21480507
  H     10.07003763      4.82989065    -10.53985769
  O     17.14145341      9.56327246     -7.45236134
  H     15.38944988     12.42907933    -12.06929298
  H     12.79529943      6.16824159    -14.19307379
  O     16.56629092      5.92828733    -11.07425048
  H     17.93196310      9.61509527     -8.00425005
  H     14.16967287      6.68822850    -14.68398837
  O     13.18796189      4.61896129    -10.41795316
  H     16.44203197     10.01671071     -7.94098583
  H     14.97964695      9.21118897    -14.75840230
  O     18.59394464      6.70663202     -9.26924364
  H     16.10864501      5.31537123    -11.66208926
  H     15.94870053      8.21112031    -14.05156263
  O     16.83710027      6.90472745     -6.99672849
  H     15.96572236      6.08532336    -10.33205662
  H     19.11170114      8.36953234     -9.36797561
  O     17.28383447     10.27255946    -11.03097682
  H     13.74250504      4.43096376    -11.18458643
  H     20.24207995      9.42366106     -9.29161647
  O     13.84006548     12.48224771    -10.86316350
  H     13.75128258      5.07779336     -9.78050978
  H     14.32950763      7.05121915     -8.96392274
  O     10.68734825      8.24501189     -9.87405019
  H     18.07832152      6.62904820     -8.45699641
  H     15.47907266      6.39654366     -8.14497829
  O     15.17124267     10.58766086     -9.20182305
  H     18.03566474      6.34947353     -9.97231366
  H     13.20937304     10.95105880    -13.53298538
  O     13.67503932      8.22817586    -12.15014653
  H     16.90601478      7.87216456     -7.08859717
  H     13.06406987      9.88122194    -12.43516969
  O     10.68723428      5.52243728    -10.75844048
  H     16.98239770      6.70414319     -6.07626203
  H     11.08536606      6.33873882    -12.35990115
  O     13.66603910      5.88319130    -14.49676372
  H     16.54880022     10.31533531    -10.40378234
  H     10.89786440      7.71498567    -13.04332758
  O     15.12065831      8.28028468    -14.55780431
  H     18.06671087     10.03249579    -10.51976012
  H      9.51250231      9.94879401    -12.83579408
  O     19.29515959      9.32611182     -9.33655729
  H     13.26252567     13.21283949    -10.65537691
  H     11.04231948     10.01712395    -12.63489522
  O     14.85812229      6.24583618     -8.86768739
  H     13.35123738     11.90120219    -11.46799197
  H     14.47813980      4.84268358    -13.35526421
  O     12.71465460     10.73696282    -12.73115707
  H     10.61563866      7.30300164    -10.07830325
  H     15.14243009      3.47119300    -13.10221575
  O     11.39134639      6.88743701    -13.09556880
  H     10.44856039      8.70507146    -10.68640560
  H     15.19756800     11.47406877    -14.09444144
  O     10.26211791      9.45224591    -12.51628568
  H     14.52921153      9.86179169     -9.19716732
  H     14.74720065     11.61895792    -15.56804937
  O     14.90510120      4.29102759    -12.67664796
  H     14.73495903     11.33151073     -9.63212334
  H     13.61840197      8.37645445    -10.40474136
  O     14.60286439     11.10911537    -14.77550535
  H     12.93720246      7.66157789    -12.41286688
  H     12.43872527      8.47720413     -9.41743465
  O     13.40350306      8.50777363     -9.46712362
  H     14.31551669      8.19529460    -12.87111864
  H     17.20056841      8.85519300    -12.20874936
  O     17.11593514      8.08540716    -12.78507956
  H     11.57961997      5.16466155    -10.59511595
  H     16.97016113      7.32913541    -12.20160294
          69
 Energy    -249.23666682742473     
  O     13.30529481      8.58545647    -16.77945262
  H     12.98625572      8.67572512    -15.86413222
  H     17.17275244      4.21117845    -14.70786290
  O     16.68026484      6.21043242    -12.41725269
  H     12.54546380      8.67929970    -17.34816253
  H     20.37528514      8.97821801    -12.68137901
  O     20.15680862     10.89110395    -12.44609391
  H     16.74255608      5.31854142    -12.77733456
  H     19.69743022      7.80065704    -11.97089560
  O     19.76736396      9.38476624    -16.92522791
  H     16.70159596      6.81142741    -13.17801858
  H     16.64533593      9.42225094    -17.63386836
  O     14.33258938      5.11059509    -14.90122198
  H     19.30137648     10.83195687    -11.98772160
  H     18.09176824      8.88819321    -17.71843292
  O     15.40660856     10.87613963     -9.79280649
  H     20.70991097     11.46832784    -11.92571319
  H     17.76656091      7.70685637    -14.79200896
  O     14.32477496      7.18931560    -11.38492499
  H     20.45366531      9.80458781    -17.43675724
  H     16.31451351      7.56726541    -15.32667482
  O     16.22250230     10.42894202    -13.95517175
  H     19.46260862     10.03800385    -16.27036894
  H     12.40133170      7.87661352    -13.84422027
  O     17.81031887      5.06302140    -16.08377038
  H     15.06140162      4.58616234    -14.54725547
  H     12.94993245      9.28577314    -13.52538754
  O     15.77188072      8.26170510     -9.20682383
  H     14.69866856      5.61001716    -15.63994816
  H     17.97689582      8.69949960    -11.02313197
  O     19.43044576      7.18740653    -15.22373773
  H     15.15240861     11.40809499     -9.04414555
  H     17.70144159      7.18687102    -11.27690522
  O     16.70493766      3.84909933    -13.93317087
  H     15.50602493      9.96086723     -9.47115527
  H     13.11832301      5.72765220    -13.82621716
  O     20.23896373      8.02519385    -12.73680671
  H     13.60057482      6.77252005    -11.86649810
  H     11.74397028      5.50245084    -13.14913648
  O     17.18175986      8.68086240    -17.95452762
  H     15.13847968      6.78359750    -11.71999997
  H     19.39479052     11.07784229    -14.16503271
  O     16.83830802      7.88171475    -14.57976480
  H     15.42340074     10.35109530    -13.41569600
  H     17.95378318     11.03859671    -14.71503709
  O     12.51267632      8.76442335    -14.20863647
  H     16.46797216      9.52142729    -14.20538900
  H     16.94160383     10.76143730    -10.85254324
  O     18.18785884      7.80789862    -10.71339748
  H     17.12525340      5.54061812    -16.56102070
  H     17.16565072     10.50704217    -12.36138655
  O     12.47467637      6.11225981    -13.20390457
  H     18.48071435      5.71891675    -15.84202720
  H     14.24322115      8.93695145    -11.91714153
  O     18.87901407     11.06139117    -14.98124642
  H     15.16251283      7.79991496     -9.79882112
  H     14.41229000     10.37033767    -11.38085987
  O     17.61017492     10.51365734    -11.50288267
  H     16.65813770      8.00527317     -9.49118353
  H     15.61507683     10.65437481    -15.82931112
  O     14.16694814      9.87058310    -12.16759592
  H     19.68142650      7.87958215    -15.84895434
  H     14.64472384      9.95920482    -16.79858791
  O     15.43877641     10.50787968    -16.76457810
  H     19.81486009      7.40934011    -14.36174324
  H     14.68779257      7.36622060    -16.88026213
  O     15.51973968      6.87285917    -16.85265438
  H     16.97431784      2.93890189    -13.84820184
  H     16.15568282      7.41418326    -17.35246762
          69
 Energy    -249.23640120252969     
  O     15.32291064     11.23766125    -15.50361491
  H     15.91954889     11.73469730    -14.93175967
  H     16.69398155      7.83346731    -11.04530241
  O     17.81109906      9.76951546    -13.31492208
  H     15.79944256     10.43019002    -15.73435636
  H     15.02693883      8.57814359    -11.95176216
  O     15.34775803     10.55285996     -9.45252276
  H     17.65411726     10.72207355    -13.33141500
  H     13.49639803      8.22781194    -11.95200186
  O     11.12377232      8.91434195    -13.56353094
  H     17.40200648      9.40691787    -14.11476925
  H     12.37003524      5.40030034    -13.80651463
  O     18.07569297      4.73915468    -14.44887712
  H     15.96339506     11.06101010     -8.92931734
  H     13.69614656      4.78328905    -13.28849304
  O     11.74013224      6.72117743    -15.05616443
  H     15.87784020      9.93158444     -9.98404113
  H     19.67955067      7.17114410    -12.96217868
  O     16.51900427      6.04095061    -11.15818835
  H     11.68719477      9.68627932    -13.70723590
  H     19.27387880      8.59817314    -13.41282688
  O     13.34234214      8.81216233     -8.66871039
  H     11.22996254      8.67650430    -12.63318685
  H     13.56911800      7.12036636    -15.21805555
  O     18.92095455      6.99872867    -16.02242591
  H     18.33048630      5.41831102    -15.08548125
  H     14.40531515      7.75497312    -14.08810090
  O     14.79850138     12.21414896    -11.80572814
  H     18.55435720      4.94931770    -13.63783205
  H     16.21214931     12.41674768    -12.81247228
  O     13.26030342     10.79045358    -13.69115850
  H     11.46748025      7.50982209    -14.55412902
  H     17.29196913     13.32861006    -13.44376240
  O     16.62423120      8.79763360    -11.05271838
  H     11.08321527      6.58716679    -15.73391299
  H     15.92618538      8.20404212    -15.52450656
  O     14.24465286      8.48545048    -12.50546191
  H     16.10901586      5.73434109    -11.98011829
  H     17.42723111      8.14355561    -15.92960598
  O     12.74361565      4.82487203    -13.12846230
  H     15.84226454      6.00971411    -10.46624448
  H     18.23632108      5.77051656    -11.55772106
  O     19.85656453      7.85520496    -13.62024755
  H     14.01117315      9.47431248     -8.90399821
  H     19.63080572      5.16854452    -11.28135535
  O     14.47376730      7.32885585    -14.95849009
  H     13.01067665      9.05206576     -7.80640850
  H     12.28373144      8.37275322    -10.15817445
  O     16.97266254     12.43074404    -13.42066683
  H     19.34911540      7.31547918    -15.20618865
  H     11.85709790      7.05352953    -10.84577807
  O     16.71998641      8.74215515    -15.66084858
  H     19.59434251      6.97916198    -16.69743454
  H     16.35128415      4.85894350    -13.95162047
  O     19.13387135      5.67687635    -11.91773537
  H     14.83039746     11.67987469    -11.00647259
  H     15.19786118      5.87750759    -14.14443820
  O     11.93851627      8.00742738    -10.98228408
  H     14.13327444     11.81756845    -12.38630692
  H     13.65185978      5.76234504     -9.73228711
  O     15.49908830      5.14322753    -13.59129564
  H     13.84630357     10.98614900    -14.43703808
  H     14.14453014      7.04356831     -9.04305798
  O     14.44191489      6.19059872     -9.37700591
  H     13.62654136      9.99646338    -13.27327455
  H     11.43909579      4.56136386    -10.29392291
  O     12.04607493      5.23761455    -10.58066758
  H     17.10076198      9.13394251    -11.82636925
  H     12.28708269      5.02791074    -11.50218254
          69
 Energy    -249.23623590266874     
  O     -1.32988092     12.51517127      0.40880573
  H     -0.56663352     12.54566876     -0.19200056
  H     -3.10176925     12.30020595     -3.25154744
  O      1.47517485     15.13494018     -0.44636138
  H     -1.92703620     13.22413649      0.13348335
  H     -1.57484609      8.88724358      2.26674752
  O      1.24052420     13.00747276     -3.88033506
  H      1.68796985     15.11454190      0.49375606
  H     -2.76325415      7.92003125      2.05117852
  O     -0.91811003     14.69153148     -3.92490441
  H      1.27280946     14.21764201     -0.68927032
  H     -3.10743475      9.76814557     -3.49079039
  O      2.65739590     10.71586145      2.07744847
  H      0.93283504     12.11227074     -4.08283223
  H     -2.40278866     10.32341228     -2.23274005
  O     -0.54134948      9.75771289      3.37146819
  H      0.50307315     13.61859964     -4.03284496
  H      0.65824937      7.75861770     -0.11476544
  O      1.84098227      8.20595795      2.96005115
  H     -0.85077057     15.32208302     -3.19742272
  H     -0.40120003      7.53694666      0.98390027
  O     -1.79394576     10.02307820     -0.61140713
  H     -1.74482378     14.21496856     -3.78388059
  H      5.66533405     12.39482154     -1.57379966
  O      0.84374986     12.55968680     -1.18316240
  H      2.50274020      9.83467797      2.43858242
  H      4.31927315     13.14653755     -1.69269348
  O      3.33059444     14.31184384     -2.51718295
  H      1.85684620     11.23616382      2.24032828
  H      1.46311548      9.50252773     -1.30559064
  O      0.41521851     12.32144327      2.53325702
  H     -0.28598932     10.67834102      3.23502621
  H     -0.09469575      9.41854762     -1.23682074
  O     -3.30958430     13.24667022     -3.28486966
  H      0.27908156      9.24926144      3.40045507
  H      0.44162632      9.86001357     -3.30579365
  O     -2.04009387      8.34820674      1.60138684
  H      1.43708825      7.84527372      2.14994662
  H     -0.81484368     10.54682283     -3.84571645
  O     -2.66687928     10.54047338     -3.14345832
  H      2.23273026      7.47210233      3.42507058
  H      2.37260406     15.21769395      2.96880625
  O      0.51786697      7.35551131      0.75142054
  H     -1.98063910      9.40164230      0.10263879
  H      2.90701194     14.11087395      2.02884424
  O      4.79936072     12.47035513     -1.18220621
  H     -1.69775648     10.89711793     -0.20429354
  H     -0.65529598     17.27706730     -1.55698559
  O      0.69550535      8.98002452     -1.58214798
  H      1.50479631     11.89354152     -0.95809631
  H      0.07316962     15.97711386     -1.14974018
  O      0.13487532     10.47121436     -3.98720778
  H      0.89181534     12.68991017     -2.13981187
  H      3.52013179     11.13991584     -0.93622670
  O      2.11548725     14.62954167      2.26342301
  H      2.69405743     13.89284955     -3.11491186
  H      2.75450263     10.57443887      0.29393297
  O     -0.72704197     16.32600943     -1.57633683
  H      2.81134256     14.80853164     -1.87423864
  H      3.81799971     12.16098645      1.84031533
  O      2.75146261     10.61806331     -0.67332919
  H      0.89443077     13.15807912      2.55126599
  H      4.47157351     12.90498414      0.65667968
  O      4.17226527     13.01861625      1.56652822
  H     -0.26716157     12.41085815      1.85092924
  H     -2.16011834     15.20771633     -0.98277814
  O     -2.79152035     14.51355041     -0.75485299
  H     -4.11336857     13.33177868     -3.79313288
  H     -3.05742490     14.11378391     -1.59229210
          69
 Energy    -249.23583043938171     
  O     16.52449948     10.55962601    -11.30242614
  H     15.85280353      9.91392071    -11.56319972
  H     17.81877829      5.42692261    -12.94316295
  O     15.41935152      6.03639659     -6.59474164
  H     17.39130397     10.22193366    -11.56996535
  H     16.84845148      7.46632005     -8.88387001
  O     16.20487124     12.91318702     -9.98967424
  H     15.43843874      5.41772025     -5.86950998
  H     16.57843959      6.18184291     -8.07471595
  O     13.28693933      6.42130538     -8.51041767
  H     15.53692580      6.92284176     -6.20896067
  H     18.59064182      8.71174444    -13.41184593
  O     14.62579405      8.61440465    -11.89437956
  H     15.83720875     13.58399705    -10.55965796
  H     18.55522234      7.22898794    -13.80427717
  O     19.00109793      9.48323234    -11.76628574
  H     16.26656592     12.09953337    -10.51880162
  H     17.28885648     12.50651329     -6.54730852
  O     20.68157925     11.06372366    -10.19220598
  H     13.32120169      7.37657603     -8.64727484
  H     18.35877386     12.97969951     -5.52942236
  O     19.18801661      7.01902291    -10.47298358
  H     13.92231126      6.23549484     -7.80727541
  H     15.35567799      8.10485546    -15.36488727
  O     15.69852433     12.50905412     -7.21139646
  H     14.73794345      7.75199529    -11.46839521
  H     16.54307669      8.06817332    -14.37419426
  O     13.80406357     10.43516117     -6.73361140
  H     14.81778830      8.46576977    -12.82944434
  H     17.06797663      9.48965359     -8.14423859
  O     13.79072274      9.17860305     -9.17236800
  H     19.64236581     10.06595052    -11.34131008
  H     16.68092693      9.73717605     -9.64948112
  O     18.78067102      5.56049384    -12.86417425
  H     19.04169059      8.63613451    -11.29766690
  H     18.02734474     12.89121618     -9.40562198
  O     17.00458322      6.50811815     -8.87614030
  H     20.06634703     11.70239324     -9.78901590
  H     18.79147701     12.69252461     -8.08307355
  O     18.27116866      8.10531779    -14.09292837
  H     21.50805326     11.52019195    -10.32338328
  H     15.12833546      9.22184266     -5.93922514
  O     18.23180146     12.44119003     -6.30530862
  H     19.15376191      6.45349036    -11.25478177
  H     16.64406082      8.91417322     -5.90145931
  O     15.57984417      7.94512382    -14.45215914
  H     18.47066118      6.72598109     -9.89201727
  H     15.74465478      6.14836859    -10.15977076
  O     16.50161487      9.19836507     -8.87068171
  H     15.74173591     12.63906608     -8.16725013
  H     14.21883619      6.04722565    -10.06324717
  O     18.90609697     12.73579797     -9.04070038
  H     15.02564225     11.83861602     -7.04532687
  H     20.42772262      9.59214568     -8.98227205
  O     15.77476131      8.56216413     -5.66447455
  H     12.94687204     10.51678607     -6.32164012
  H     19.95933993      8.12977454     -9.05595577
  O     14.94495369      6.08780349    -10.70005252
  H     13.65569161     10.03470706     -7.60607741
  H     18.29678986     10.59054976     -6.50571298
  O     20.13923808      8.84879874     -8.43874739
  H     14.74370330      9.13910051     -8.98201082
  H     18.91865233      9.34038518     -7.21702252
  O     18.15308728      9.65991872     -6.71489768
  H     13.73335163      9.14721562    -10.13239262
  H     15.60881462      5.50277284    -12.30773154
  O     16.08589733      5.41415863    -13.14501785
  H     19.19568150      4.77635553    -13.21350118
  H     15.80964018      6.16467556    -13.68374540
          69
 Energy    -249.23558092910253     
  O     14.72785709     12.74259073    -13.46501053
  H     15.23867092     12.06647145    -13.00021003
  H     11.65195846      6.92144344    -14.88197962
  O     14.08293739      6.88204240    -13.08756820
  H     13.84334859     12.70663109    -13.08083760
  H     16.15348587     11.16939230    -16.81593900
  O     17.73702875      8.44545204    -12.30335679
  H     13.49710768      7.15495017    -12.37298111
  H     17.00655285      9.90291580    -16.53662700
  O     17.39225909      8.72882487    -15.13623825
  H     14.24938172      7.67316791    -13.62501568
  H     14.10863947      9.54991922    -15.16345447
  O     13.10806795     10.47968213    -16.41582281
  H     17.83218183      8.45538829    -11.34227742
  H     15.55401691      9.00869781    -14.88635207
  O     14.95322433      8.93917316     -8.79810613
  H     17.37453592      7.57271685    -12.51721132
  H     11.81433916     11.68833815    -13.02125940
  O     12.28940975      7.85030457    -11.17165984
  H     17.68489245      8.76505670    -14.21726429
  H     11.45939579     12.91397213    -12.14497984
  O     15.70820076     10.38879218    -12.32116792
  H     17.37635380      7.79582200    -15.39171409
  H     16.42330764      5.68649788    -11.08794858
  O     14.62435072      6.58075199    -16.87915482
  H     13.67199161     11.26588292    -16.39127304
  H     16.76920738      6.57346847     -9.87758738
  O     13.71595755      6.37802161     -9.25364840
  H     13.39908135      9.95259202    -17.17071369
  H     11.15777931      7.88998539    -12.60939591
  O     17.00927260      6.01424966    -15.76088233
  H     14.48290152      8.09659376     -8.80768515
  H      9.75594120      7.67788191    -13.21121196
  O     12.37392560      6.39290159    -15.23429652
  H     14.41152425      9.54438745     -9.32040491
  H     16.84511699      5.79530328    -13.86460978
  O     16.54375020     10.39012865    -17.23123427
  H     12.64113064      8.74060143    -11.02159573
  H     15.67742405      6.21537556    -12.95180092
  O     14.67674886      9.14042111    -14.50243911
  H     12.64183496      7.28896686    -10.46875184
  H     18.10034900      8.51913665     -8.77051201
  O     12.14704457     12.27716336    -12.31888234
  H     15.23920527     10.02469523    -13.08953368
  H     16.63008286      8.62334682     -9.23452391
  O     16.22399963      5.82642083    -10.15318222
  H     16.47605168      9.81880307    -12.20456466
  H     14.54073689      9.05202133    -19.32997113
  O     10.63833504      7.97321629    -13.42528719
  H     14.54551370      7.36321095    -17.43603397
  H     15.28903236      9.48638531    -18.04525045
  O     16.61353804      5.95282572    -12.94287345
  H     13.78295727      6.48970388    -16.41014140
  H     12.93560531     11.04523372    -11.13817077
  O     17.51641103      8.31737312     -9.49696085
  H     14.58194349      6.10786438     -9.60851343
  H     14.30166101     10.33707167    -11.23458739
  O     14.50378452      9.01477192    -18.37792906
  H     13.47084022      5.72157255     -8.60681984
  H     14.93331439     12.65299787    -15.18025573
  O     13.46155698     10.33652224    -10.74944523
  H     16.13387923      6.16340044    -16.16428863
  H     15.05960847     13.43016079    -16.50942957
  O     14.99734323     12.55051656    -16.14644108
  H     17.47752795      5.41651621    -16.33720804
  H     11.04565214      9.70211240    -14.03251761
  O     11.31034448     10.60275057    -14.25528674
  H     12.98484191      6.32524379    -14.48644568
  H     11.82126826     10.55079433    -15.07327645
          69
 Energy    -249.23557345316061     
  O     12.03337834     12.29385804    -14.18898390
  H     11.24188354     12.82382850    -14.22596444
  H     13.58804741      9.93535878    -16.98764592
  O     17.56975872      6.73806529    -11.16756305
  H     12.22791791     12.14346565    -13.24528798
  H     15.49271296      9.79287853    -14.32125631
  O     16.75154819     10.43342187    -11.25653853
  H     17.27091609      6.19647448    -11.90924566
  H     15.12282280     11.25797517    -13.92517730
  O     12.42449264      9.90565869    -15.70780033
  H     16.78796483      7.17695004    -10.81329123
  H     16.63276767     12.16319410    -17.03714280
  O     14.65852043      6.53827027    -14.51314909
  H     16.40065545      9.69036083    -10.75332975
  H     15.25839117     11.52859744    -17.39507716
  O     17.01925909      5.28886998    -13.55307928
  H     16.27241884     10.43767528    -12.10256050
  H     14.97132824      8.17108272     -9.28578746
  O     14.72807523     12.92872756    -14.62435183
  H     12.24355357     10.69139998    -15.17768329
  H     14.62804149      8.44853968    -10.76593641
  O     18.51602351      9.42303099    -15.43221195
  H     12.31620618      9.14300100    -15.12750372
  H     20.64886432      7.45266672    -11.33814814
  O     18.48427127     11.94247858    -16.68463945
  H     15.09553497      7.25590616    -14.99568403
  H     19.12042821      7.41597966    -11.58109316
  O     19.08324284      6.81070378    -14.48130896
  H     15.37428361      6.02153204    -14.12843797
  H     16.44510445     15.16092805    -13.14486020
  O     18.69380594     12.74711865    -14.11837378
  H     17.24111697      4.37026845    -13.68329704
  H     15.83717554     13.81788901    -13.61331659
  O     14.30354150      9.92841349    -17.65052748
  H     17.73238444      5.80612628    -13.96861121
  H     15.80104776     12.01720683    -10.82605245
  O     15.30833171     10.37805138    -13.57612275
  H     13.77078656     12.82364360    -14.57513448
  H     15.66455172     13.38303407    -11.49861422
  O     15.68449642     12.33763191    -17.08557011
  H     15.01726622     12.78799865    -15.53968059
  H     12.84119597     10.85357324    -11.56578208
  O     15.35028403      8.21068028    -10.16059384
  H     18.58684564     10.21133769    -15.98405196
  H     13.53810617     12.21301055    -11.31916462
  O     19.96556247      7.75430737    -11.93026440
  H     18.65006465      9.71711371    -14.51911473
  H     19.50944110      9.48277105    -12.48977879
  O     16.49847783     14.21641471    -13.01974069
  H     18.56576539     12.30327033    -15.78179307
  H     18.27928556     10.35693884    -12.18566428
  O     15.22041633     12.78673337    -10.88452585
  H     19.15526035     12.36867683    -17.21146501
  H     11.56702194      6.94579120    -14.05767690
  O     12.71568163     11.80777510    -11.63229943
  H     18.94542589      7.62688694    -14.97777643
  H     13.09838973      7.14865938    -14.17579283
  O     19.03073157     10.26487682    -12.78999470
  H     19.53057235      7.07693909    -13.66762993
  H     14.08165296      9.56871157    -12.54718145
  O     12.25448785      7.60230601    -13.98965219
  H     18.91126773     11.98625065    -13.56432793
  H     12.93732735      8.53316106    -12.53881293
  O     13.47162778      9.09176423    -11.96179080
  H     18.01196250     13.25000821    -13.65757270
  H     15.45549467      9.08451688    -16.48245713
  O     15.88064711      8.69025980    -15.71098797
  H     13.92286445      9.61094090    -18.46463529
  H     16.82153092      8.91288373    -15.71598674
          69
 Ord_Energy   -249.235306    
 O   -3.50456977      -2.34167433       7.70502138    
 H   -4.13986874      -1.99154389       8.32403278    
 H   -3.00417018      -1.58350754       7.35547161    
 O   -3.94638944      -4.99913788       2.70523977    
 H   -3.12737703      -5.50725603       2.74855304    
 H   -4.04200888      -4.59141397       3.57569337    
 O   0.453091830      -1.79301238      -7.06432313E-02
 H   0.233867571      -2.51216269      0.543678105    
 H   0.753750861      -2.20489264     -0.877674401    
 O  -0.233758464       1.54575944       2.71664143    
 H   -1.00081038       1.84459937       2.21155405    
 H  -0.119718149       2.11845899       3.48650503    
 O   0.503455579      -1.57322836       7.15987301    
 H  -0.344533831      -1.10527742       7.09576750    
 H   0.647658527      -1.98620307       6.30064678    
 O    2.96256757      -1.04233837       3.92916203    
 H    3.90384221      -1.14356899       3.81949091    
 H    2.61545873     -0.664295316       3.09944773    
 O   -1.25247824      -6.04073811       2.99122381    
 H   -1.14864755      -5.66496801       3.88306785    
 H  -0.984722733      -6.95475483       3.04441905    
 O   -1.17960501     -0.769328177       3.95726323    
 H   -2.09415507     -0.931968749       3.69140935    
 H  -0.882334709       4.51816395E-02   3.53295517    
 O   0.707850397      -2.60282946       4.36604261    
 H    1.56840134      -2.18718266       4.22688627    
 H    2.75465902E-02  -1.92154050       4.21579790    
 O   -3.58829117      -3.54322028       5.16360807    
 H   -2.68909335      -3.89725971       5.16270351    
 H   -3.73744750      -3.21329165       6.05845881    
 O   -3.82123590      -1.35645986       3.43708277    
 H   -3.67185116      -1.79121876       2.58691120    
 H   -3.85711455      -2.06668305       4.09264755    
 O   -2.53574228       1.96151614       1.20470035    
 H   -2.85553479       2.56892514      0.543088734    
 H   -2.42896032       1.09859967      0.765410125    
 O    1.80722117      -4.91164513E-02   1.72973382    
 H    1.12983036      0.584841311       2.00671577    
 H    1.40648866     -0.596532047       1.04535711    
 O   -1.07472765      -3.86974764       7.93110800    
 H   -1.93680108      -3.44495678       8.02340698    
 H  -0.432329148      -3.14944434       7.90921640    
 O   -1.94409609     -0.375313103       6.61905193    
 H   -2.17731881      0.564603865       6.63267279    
 H   -1.69710529     -0.552259326       5.70137644    
 O  -0.952222645      -4.62911320       5.30611753    
 H  -0.305057824      -3.98225713       4.99363279    
 H  -0.985182405      -4.54061699       6.27012014    
 O   -2.45990753       2.21744657       6.07427502    
 H   -1.59606707       2.52490282       5.77717447    
 H   -2.98086929       2.04359865       5.27446508    
 O    1.75145829      0.681865036       5.89168024    
 H    1.41899192       2.06285492E-02   6.50983000    
 H    2.24865317      0.188038617       5.22913885    
 O   -2.10615206     -0.471139967       8.06080401E-02
 H   -1.20466256     -0.779830337      -6.48066476E-02
 H   -2.59928346      -1.25803328      0.346834004    
 O   -3.80892849       1.47241950       3.74322915    
 H   -3.99879575      0.527387500       3.68405390    
 H   -3.47323608       1.71853983       2.87384295    
 O   -3.00312567      -2.86496902       1.23803604    
 H   -3.48731732      -3.62573957       1.59166384    
 H   -2.07675099      -3.03822112       1.44793558    
 O   0.224017829       2.81549978       5.14995527    
 H   0.778477311       2.07794285       5.46152830    
 H   0.662242115       3.61887884       5.41882467    
 O  -0.285033166      -3.63118649       1.86944616    
 H  -0.565290689      -4.52796364       2.09427571    
 H   0.124295533      -3.26979041       2.66534996    
          69
 Energy    -249.23511821400160     
  O     12.37937561     13.35886784    -13.20245497
  H     11.61908599     13.92945846    -13.27368634
  H     19.16468536     13.95423031    -15.72951730
  O     19.75299896      7.11939235    -11.65421112
  H     12.04215782     12.46486042    -13.01447698
  H     13.15235471      8.52302431    -14.38178497
  O     17.60170490     11.08507788    -11.58934642
  H     20.02867079      7.63442215    -12.43432834
  H     11.72817011      8.08159073    -14.78616185
  O     13.14159504      7.58754046    -11.54025996
  H     20.54913575      6.78279741    -11.25199063
  H     15.10828612      9.91074736    -13.44008547
  O     15.72850507      7.04731446    -12.32647020
  H     17.47090955     11.92784277    -11.13993686
  H     15.10808481     11.46799459    -13.29251547
  O     17.95036018      5.81880005    -13.48942142
  H     16.76208552     10.89430067    -12.03969850
  H     16.18926116      8.79323756     -9.42979915
  O     14.93406804     12.96035986    -14.23335637
  H     12.67626051      7.78758155    -12.36181737
  H     15.31124513      8.35380498     -8.24804000
  O     17.22700962      9.37294162    -15.76287252
  H     13.21928272      8.43021093    -11.07868848
  H     19.94341157      7.97501309    -14.66071081
  O     17.50706152      8.48649439    -10.66364414
  H     14.83188604      7.09225502    -11.96445242
  H     19.96467127      9.35208887    -13.97001718
  O     16.24416370     11.99042447    -16.43916852
  H     16.30091187      7.56393052    -11.74383433
  H     16.30409384     13.95368821    -13.61871427
  O     18.72443650      6.99704526    -15.81204251
  H     18.59667634      6.09062011    -12.82653781
  H     17.14005497     14.20146757    -12.35420155
  O     18.58918291     13.30621997    -15.33288179
  H     17.09209791      6.08261382    -13.13071234
  H     16.93621640     14.06598797     -9.76246511
  O     12.22034989      8.53393545    -14.10556486
  H     13.99281349     13.15137169    -14.15279405
  H     15.81020037     13.46838341    -10.63403262
  O     15.22405690     10.63454750    -12.81424652
  H     15.16509262     12.65039981    -15.12149108
  H     13.85183269     12.24948039    -10.54733704
  O     15.40800117      9.03548045     -8.90920906
  H     17.76319425      9.88139401    -15.13712057
  H     13.54247752     13.35612330    -11.57158582
  O     20.34272939      8.46243586    -13.93031652
  H     17.71905991      8.55983384    -15.93425409
  H     18.52580771     10.98552647    -13.16266236
  O     17.13771835     14.33872203    -13.30709962
  H     18.30913179      8.00230307    -10.89648588
  H     18.90654643     11.69553657    -14.49493635
  O     16.77494760     13.57963393    -10.56667510
  H     17.64269274      9.40646581    -10.93458385
  H     11.75874930     10.08771157    -13.13235989
  O     14.07949547     13.15328986    -10.79751149
  H     17.05073011     12.47577734    -16.22194078
  H     12.14886914     10.63324172    -11.74445648
  O     18.89343209     10.84140025    -14.04511964
  H     16.48957377     11.05807156    -16.39704594
  H     14.21404545      9.93729654     -9.89947120
  O     11.63974958     10.83957034    -12.53856254
  H     18.96291787      6.33838964    -16.45857584
  H     14.20462515     10.41281770    -11.38411004
  O     13.65007725     10.31132891    -10.59201309
  H     18.40477538      6.51715005    -15.02667022
  H     15.25331991      7.89734025    -13.84440409
  O     14.92626042      8.47765796    -14.54880326
  H     18.13289126     13.74841531    -14.59356890
  H     15.68740429      8.75637318    -15.07585164
          69
 Energy    -249.23480860386081     
  O     11.83771734      2.27040850    -11.43102328
  H     12.15446147      2.51801438    -10.55279986
  H      8.85524045      3.31713532    -12.05128584
  O     12.39361133      3.15941448     -8.78109435
  H     11.90451274      3.05625491    -11.98909206
  H      8.73981962      8.72113266    -11.06792155
  O      8.43427071      6.46450617    -13.95853294
  H     11.95451666      2.61038377     -8.12103807
  H      8.73433735      7.51372095    -10.10851671
  O     13.38365630      7.13606640     -6.67444992
  H     11.78808354      3.90241258     -8.93390548
  H      9.95023617      5.47525378     -9.55227008
  O      9.24764197      1.54071334    -11.51638230
  H      9.28824527      6.46318623    -14.40993366
  H     11.46050730      5.75204062     -9.86967161
  O     10.65720697      1.90863947     -6.94104985
  H      8.42066739      5.66048283    -13.42464537
  H     10.78635908      6.09201971     -7.60850369
  O     11.59615008      4.71951928    -12.85469416
  H     13.78165627      7.00452045     -5.81726669
  H     10.32599805      7.38962474     -6.89253995
  O     11.81572436      8.79527937    -10.64520610
  H     12.45083692      6.86963872     -6.59437734
  H      9.27001624      1.76962721     -8.27221237
  O      8.29974897      8.95147323    -12.86680000
  H     10.20389048      1.73005278    -11.48625510
  H      8.74770317      1.72249587     -9.73521998
  O      7.19911741      4.12523764     -8.04713227
  H      9.13848159      0.75536676    -12.04563494
  H     13.05535792      8.70139984     -7.60435923
  O     11.11517872      8.89949349    -13.39071535
  H     10.23004114      2.70654194     -6.57970381
  H     13.31423221     10.21095455     -7.79359808
  O      8.91175128      4.26101307    -12.23887220
  H     10.73413876      1.28924335     -6.22023642
  H     14.01837787      5.89552984     -8.05973677
  O      9.07607554      8.41304050    -10.21713489
  H     11.51093860      5.25914593    -13.64948578
  H     13.77575748      4.50815641     -8.70578035
  O     10.85032036      5.38270382     -9.21836411
  H     12.09801521      5.25604722    -12.22143366
  H      8.35277533      5.22942407    -10.82919675
  O     10.73505686      6.52514227     -6.74106655
  H     10.87572855      8.63601502    -10.47062740
  H      7.78960032      5.25893589     -9.36421292
  O      8.48799088      1.89764981     -8.82241275
  H     12.19929651      9.12555725     -9.82459170
  H     13.46506503      6.00925670    -10.30037372
  O     12.75265377      9.49256612     -8.07606004
  H      8.26017189      8.05315700    -13.24198334
  H     12.60787914      7.19319370    -10.89992062
  O     14.24174316      5.34795553     -8.82054113
  H      7.59106024      9.44797939    -13.26688516
  H      8.57329283      4.24365028     -6.67980620
  O      8.24474777      5.77903299    -10.03909929
  H      6.30330152      3.92513893     -7.78881088
  H      9.81113975      5.00835522     -6.16682705
  O     12.82458700      6.25526671    -10.98423320
  H      7.60133083      3.28894823     -8.34828491
  H     11.52629836      6.79082395    -15.73683510
  O      9.35714141      4.15670279     -6.12400976
  H     10.17284974      9.06980674    -13.26532800
  H     11.21940739      7.44787996    -14.37038281
  O     11.13785580      6.62314293    -14.88255752
  H     11.50883976      8.96226301    -12.51162087
  H     10.79143519      9.36367778     -7.71458803
  O      9.90452891      9.01763444     -7.56320247
  H      9.84727712      4.44077553    -12.41932932
  H      9.50518322      8.91698694     -8.43803976
          69
 Energy    -249.23476114539483     
  O     13.98337674     11.83740783    -16.10913530
  H     14.61609087     12.34604204    -16.63107579
  H     19.87237483      8.25065534    -15.20950679
  O     18.97901158      7.76256848    -10.56444931
  H     14.50189598     11.15098186    -15.66091402
  H     17.86165387     12.61464981    -14.59286210
  O     15.95823295     10.67409992    -12.33442474
  H     18.03188252      7.93612857    -10.69559155
  H     16.62116160     13.47035497    -14.26792482
  O     12.81302197      9.42017138    -17.02040790
  H     19.10245549      7.60309950     -9.63209781
  H     14.85224057      8.06515372    -19.05822091
  O     16.25950147      6.45636125    -13.51367955
  H     15.72790617     10.39340331    -13.23710927
  H     14.24235401      8.77885253    -17.83124528
  O     13.57927003      6.21736292    -12.99723613
  H     16.17828523      9.87011340    -11.84540944
  H     14.35465184      9.30762660    -14.61874672
  O     18.88305425      6.06010850    -12.88255290
  H     13.04566685     10.34212415    -16.84616971
  H     15.76713961      9.10686721    -15.21220000
  O     12.70114772     12.73988524    -13.84566862
  H     12.59391215      9.04146927    -16.15940903
  H     16.82904152     11.32985267    -17.82342198
  O     18.68538274      9.38784268    -15.91740310
  H     17.15257546      6.15629820    -13.28653934
  H     16.43602486      9.86589133    -18.14037441
  O     16.34719396      8.15014625    -11.25841815
  H     16.31324585      6.80968991    -14.41278721
  H     13.48867064      7.35539232    -11.42999668
  O     16.15454233     13.03939296    -17.37991901
  H     14.53525350      6.21092938    -13.17609595
  H     13.24079426      8.83637053    -11.08019390
  O     20.43810715      7.65964287    -14.68540553
  H     13.29109694      5.30808328    -13.01060954
  H     19.93874724      8.93068960    -11.72206208
  O     17.27047287     13.28168903    -14.96074931
  H     19.03985296      6.51143569    -12.04423420
  H     20.52065162      8.82838250    -13.14363238
  O     15.07673119      8.47039647    -18.22446921
  H     19.43592397      6.51220080    -13.53261426
  H     15.61464385     12.55344410    -12.52843036
  O     15.20497872      9.74751458    -14.76331917
  H     11.99721035     13.35366023    -14.04016243
  H     14.44808759     13.32571954    -13.16108967
  O     17.18404210     10.43990226    -17.93935890
  H     13.08934926     12.47801798    -14.69756605
  H     12.78053051     11.26291061    -12.67997348
  O     13.64932741      8.02616726    -10.75357883
  H     18.28350781      9.80883306    -16.69242124
  H     14.01713042     10.55227680    -12.11586321
  O     20.32295510      9.45436667    -12.43613615
  H     18.58795947      9.99968872    -15.17356217
  H     19.19515533     10.61394683    -13.19785803
  O     15.37646761     13.40552230    -12.91583783
  H     15.45082994      8.09191833    -10.89703280
  H     17.69211761     10.98056266    -13.14030279
  O     13.06255614     10.45680481    -12.22748831
  H     16.35090439      7.62074689    -12.06844018
  H     12.67126559      9.19509648    -13.55078729
  O     18.48083679     11.04753369    -13.68915461
  H     16.60170836     13.16343072    -16.52074689
  H     12.92287019      7.70483687    -13.91202188
  O     12.73278958      8.57331461    -14.28983160
  H     16.34364398     13.81298869    -17.90326471
  H     17.37794270      8.13893010    -16.01857642
  O     16.55386763      7.63084360    -15.98704930
  H     21.18633260      7.44074035    -15.23559249
  H     16.08260959      7.77715699    -16.81739490
          69
 Energy    -249.23469746065928     
  O     13.68617557      8.41230009    -10.85205477
  H     13.59246193      9.18728942    -11.42412732
  H     16.56371324      4.13402950    -12.06118896
  O     13.99201734     11.42716053    -16.11492568
  H     14.14613712      8.68862137    -10.04679316
  H     19.05787181      7.82528079    -12.72622608
  O     16.51915078     10.97038544    -12.37490412
  H     13.69284197     10.53979578    -15.87402006
  H     18.95320234      8.56966588    -14.07438305
  O     14.00580897      4.33836680    -15.04969058
  H     13.65617976     12.01201782    -15.42549297
  H     14.36946520     13.24933661    -13.77999307
  O     16.12522518     13.32625021    -13.86335780
  H     16.83656158     10.74935244    -11.49284596
  H     12.94425644     13.83534239    -13.62934148
  O     15.79724322      7.20946433    -12.26341277
  H     15.58755997     10.71713528    -12.43336255
  H     14.33935609      8.62290612    -15.06229106
  O     13.76716478     10.44272900    -12.69709691
  H     14.84167707      4.70746122    -15.38951092
  H     12.89574758      8.13832541    -14.79303850
  O     18.21133034      7.76454570    -11.04655719
  H     13.77278402      3.61189227    -15.62084640
  H     16.84806778     12.27382555    -17.21082160
  O     17.59766229     10.11505573     -9.89630709
  H     16.37676324     12.62407134    -13.24729390
  H     15.70958365     11.72294436    -16.32249753
  O     18.73597182      5.17375746    -14.32487498
  H     16.40938990     13.01653554    -14.73245876
  H     12.81553058      5.78082626    -14.62520169
  O     16.33132727      5.45266520    -15.79232654
  H     15.54505679      6.27863728    -12.32532510
  H     12.25337338      6.35086888    -13.31476111
  O     17.52309355      4.10500210    -11.96267047
  H     15.09387922      7.65926630    -11.77846752
  H     11.73212476      5.85026135    -10.83872099
  O     19.28575372      7.76283002    -13.66320663
  H     13.52397966     11.34565645    -12.93430902
  H     12.83844193      6.88408047    -11.14851404
  O     13.42216380     13.02272335    -13.76886453
  H     13.61519594      9.90015625    -13.48624206
  H     13.96212440      4.94699134    -11.93108044
  O     13.42245840      8.92725728    -14.98008427
  H     18.49983846      6.96874371    -10.57642616
  H     14.50493154      4.41968976    -13.28005793
  O     16.65591370     11.95385560    -16.33345284
  H     17.37430677      7.54613432    -11.48417245
  H     18.34325345      4.84180969    -10.59509441
  O     12.30028891      6.51285691    -14.26361145
  H     18.36962215     10.56165676     -9.55859974
  H     19.42098995      4.75870243     -9.50005143
  O     12.47983948      6.01791839    -11.40673118
  H     17.89903521      9.26962135    -10.27718737
  H     15.96116351      7.74473889    -13.97727204
  O     14.75646243      4.61172610    -12.36592744
  H     18.94091804      6.10448680    -14.12711984
  H     16.68650890      8.72887516    -14.92898760
  O     18.80477876      5.35833080     -9.91072431
  H     19.54483247      4.78353014    -14.64702482
  H     16.05330344      9.56107577     -9.05363236
  O     16.00305646      8.04908396    -14.89637613
  H     17.17125923      5.24435587    -15.36600424
  H     15.46487137      8.71813262     -7.91433350
  O     15.22779302      9.18729822     -8.71157914
  H     16.20503844      6.40119753    -15.64703325
  H     17.60956444     10.70202213    -15.30180839
  O     17.88785945     10.06817966    -14.62875876
  H     17.90044761      4.42457180    -12.79228844
  H     17.48303372     10.36649090    -13.80035039
          69
 Energy    -249.23466815502991     
  O     18.34475446     10.92654122    -18.60448409
  H     17.49115426     11.09712538    -18.15844799
  H     17.47642913      4.60543334    -11.70303664
  O     15.20059138      6.22032222    -13.16696898
  H     18.38336655     11.51672434    -19.35154761
  H     20.59958326      8.65367626    -16.94180218
  O     18.45996041     11.87724081    -11.93110306
  H     15.03403269      6.41890501    -14.09587179
  H     20.66048001      9.89681824    -16.05560884
  O     21.35666116      7.79463738    -13.81133424
  H     14.90285283      6.97948482    -12.64964750
  H     17.60984622      8.65331608    -15.35475709
  O     14.68372684     10.98659717    -10.10609257
  H     18.78461758     12.48851099    -12.60393190
  H     16.77003210      9.70877483    -14.56818615
  O     14.96844839      8.53714293    -11.54972680
  H     18.83483684     11.01359693    -12.15808522
  H     15.47146635     10.78193141    -17.08334811
  O     19.22551868     13.35632553    -14.22333364
  H     22.27251630      7.60506025    -13.62745010
  H     16.15528922     12.07552217    -16.54188811
  O     19.18175018      6.02015415    -14.37898790
  H     21.32610012      8.21888670    -14.68801150
  H     18.26882104      8.47842355    -11.49060948
  O     15.15202128     10.06923370    -13.85285756
  H     14.19915077     11.26576324     -9.33399999
  H     17.67741685      7.09942700    -11.14519452
  O     17.65381345      7.10033583    -16.34005466
  H     15.61168796     10.87092143     -9.83074781
  H     14.48404288      9.74757434    -15.51969885
  O     14.98062938      6.67093575    -15.98949875
  H     14.68231487      9.29178255    -11.02130210
  H     14.47795730      8.51220679    -16.41513181
  O     17.56231530      5.47036423    -12.09543130
  H     15.88960398      8.36812651    -11.30105548
  H     17.81141798     11.12290308    -10.27146861
  O     21.08004147      9.03817011    -16.20036835
  H     19.84034337     14.05795556    -14.42197982
  H     17.51046211      9.66061503     -9.87401204
  O     17.66593895      9.46281526    -14.83330295
  H     19.38704182     12.64799084    -14.86994696
  H     20.10009179      8.85487625    -12.93510525
  O     16.12082704     11.46755637    -17.29247309
  H     19.95538740      6.53371830    -14.11905067
  H     18.71112445      9.33016731    -13.43659452
  O     17.65242617      8.03025886    -10.89245274
  H     18.69877785      5.81069671    -13.56984098
  H     16.65146093     12.21112442    -12.21301592
  O     14.38405565      9.46996112    -16.44232426
  H     15.03385774      9.45519845    -13.11720968
  H     15.23216050     12.04951518    -11.62209187
  O     17.32666846     10.57908047     -9.63709444
  H     15.28871959     10.93792802    -13.45430933
  H     19.46680828      7.96827556    -19.18917736
  O     19.30883692      9.33776076    -12.67159617
  H     18.22584829      6.64624850    -15.69938679
  H     18.90862558      9.21116848    -18.46081639
  O     15.71284659     12.36369018    -12.39716849
  H     18.19781959      7.42180547    -17.06764403
  H     16.00326266     13.05655570    -14.19197032
  O     19.25684007      8.31467217    -18.32498125
  H     14.67425608      5.95682536    -16.54370068
  H     17.35136983     13.36071961    -14.83778466
  O     16.43253618     13.16204415    -15.04938064
  H     15.92971329      6.77879452    -16.17324270
  H     18.72525277     10.69615367    -15.57358514
  O     19.38223019     11.27725149    -15.99124883
  H     16.70330283      5.67656144    -12.50843406
  H     19.12721098     11.33319001    -16.91948130
          69
 Energy    -249.23458998508420     
  O      1.75577836     11.83417953      1.42773724
  H      1.59910391     12.38126051      2.20562500
  H     -0.80279099     12.81960426      3.06966715
  O      0.88001985     15.09723081      0.82120871
  H      1.10525196     12.12109365      0.76389544
  H      3.94096229      7.18493910      0.80381773
  O     -2.71195216     12.70262822     -0.88909522
  H      1.74386803     15.30889055      0.44774370
  H      4.03006495      8.60331195      0.19049037
  O     -3.32172549     14.07527841      1.48901806
  H      0.53158583     14.36177980      0.29264353
  H     -1.64998822      8.96370109      2.64810571
  O      3.53662373     12.11169085     -2.82223993
  H     -3.08235506     13.10022463     -0.09095176
  H     -0.50931671      9.44891428      1.72678266
  O      5.01944451      9.93323312     -0.36733057
  H     -2.76276112     11.73883936     -0.81013088
  H      1.63540239      8.38554322     -2.29735292
  O      4.61690952      9.56906564     -3.18495792
  H     -2.76001608     13.49661726      2.03459906
  H      2.79082046      7.81551121     -1.45062981
  O      1.06831002      9.25627536      0.92131477
  H     -4.12662292     14.22059194      1.97909955
  H     -0.63558623     14.56801024     -3.43244723
  O      0.03795160     12.78703097     -0.44556702
  H      3.70296044     12.23554533     -1.87639500
  H     -0.19551958     14.52377124     -4.91343136
  O     -1.90088979     14.93746415     -2.35238775
  H      3.96044486     11.28269253     -3.07551743
  H      0.41930573      9.39547070     -0.86090361
  O      3.95659189     12.57742677     -0.09493301
  H      4.81300119     10.85906897     -0.19096704
  H      0.27160865     10.18813614     -2.20113496
  O     -1.66593820     12.44112819      2.86724144
  H      5.04365721      9.83977542     -1.32842548
  H     -1.71684925      9.67428082     -1.09493977
  O      3.42358848      7.86509682      0.38137184
  H      5.11140616      9.12324075     -3.86687225
  H     -2.20729506      9.85463534      0.35320340
  O     -1.37390113      9.69251006      2.09670298
  H      3.85112125      9.00408849     -2.97492351
  H     -2.27881733     15.51113053      0.68042343
  O      2.53768636      8.04559374     -2.35287703
  H      1.39955754     10.13550330      1.16108434
  H     -0.81487188     15.95083642      0.48257952
  O      0.07706427     14.28114231     -4.03277754
  H      1.83894140      8.68548937      0.81674335
  H      4.00125771     16.10248008     -0.43290632
  O      0.07854142      9.34553070     -1.76487621
  H      0.36915698     12.49510850     -1.30422410
  H      3.11496054     15.23439886     -1.35638362
  O     -2.46025793      9.99233611     -0.56704610
  H     -0.92552876     12.77315561     -0.50949627
  H      1.75709956     11.84946736     -2.93994200
  O     -1.71705168     16.12102977      0.18604082
  H     -2.29851122     14.12171453     -2.01869166
  H      0.46389532     12.56657313     -3.41406129
  O      3.39741340     15.36439409     -0.43199775
  H     -1.82834810     15.51052285     -1.57743375
  H      3.06108517     13.91300878     -3.09783448
  O      0.79063011     11.80687415     -2.91444230
  H      3.90331647     13.54022091     -0.12764584
  H      1.77831493     14.73661186     -3.32982252
  O      2.66869220     14.78596314     -2.96116655
  H      3.23359135     12.28860445      0.48019873
  H      0.85760869     14.34471545      2.44109700
  O      0.85817735     13.77196178      3.22801046
  H     -1.52808018     11.51620748      2.62992361
  H      1.09739469     14.32018285      3.97040221
          69
 Energy    -249.23415331862731     
  O     17.70913286      9.54455523    -15.14654829
  H     17.82449421     10.38782644    -15.60011068
  H     13.31185882     10.40396153    -11.04929262
  O     13.13002950      8.50750616    -10.79633958
  H     17.21738203      9.73048619    -14.32742444
  H     18.90592608      5.98062524    -11.53372682
  O     17.90415130     12.15121456    -16.11169968
  H     12.89866444      8.12965568    -11.66370019
  H     19.62773493      5.42819331    -12.77982104
  O     15.92759753      7.46933027    -15.63100047
  H     12.48438982      8.18183676    -10.17417061
  H     14.91792412      7.97281503    -10.98776372
  O     19.69286660      8.60139246    -13.49392721
  H     17.07184951     12.49081935    -15.73354968
  H     15.56897956      7.01079091    -12.02019708
  O     20.56217879     10.93978283    -12.35892823
  H     18.01835419     12.57876566    -16.95594771
  H     21.05046062      5.68188140    -14.95851647
  O     18.52063013      7.77469077    -11.00652691
  H     15.07101174      7.89645418    -15.75508044
  H     19.51361166      5.86423977    -14.94260110
  O     12.74487281      7.35189248    -13.23630977
  H     16.57843806      8.18141669    -15.54737528
  H     17.07547361     14.99345372    -12.27186934
  O     15.68008745     13.05113810    -14.86599604
  H     20.03160524      7.76062284    -13.82468166
  H     17.77428038     13.74705215    -12.87137891
  O     13.41754907      8.85148966    -15.61301734
  H     19.04238066      8.91375399    -14.13964980
  H     17.25415438      6.07808506    -15.77297270
  O     13.98937356     10.96088665    -13.98085066
  H     20.33153667     10.09044771    -12.77102213
  H     17.58654888      4.81040482    -14.95437687
  O     13.44973377     11.32120770    -11.31656759
  H     21.49359236     10.90211837    -12.15464252
  H     16.34656073     10.63314437    -12.25179648
  O     19.04900111      5.17684563    -12.04950076
  H     17.55415794      7.72211097    -11.05004326
  H     16.10400005      9.11085945    -12.40778137
  O     15.76364005      7.68692621    -11.35490380
  H     18.83269666      8.09314098    -11.86505174
  H     19.65719618     12.31523497    -13.23830740
  O     20.33542030      6.06828703    -14.46049415
  H     13.45940779      6.70091227    -13.27598695
  H     18.86918042     12.68105913    -14.52523319
  O     16.93590341     14.07846387    -12.50064838
  H     12.82081266      7.85793009    -14.05298145
  H     17.05813528     11.47662763    -10.55837122
  O     17.95056021      5.43433475    -15.59557207
  H     15.96497236     13.47351195    -14.04598712
  H     16.47699145     12.68163756    -11.37050016
  O     16.29522790      9.91838605    -12.90108830
  H     14.98527367     12.42562776    -14.62561706
  H     15.71142280      5.15558114    -13.35956203
  O     19.13022470     13.00757691    -13.65594326
  H     13.55305750      9.66246677    -15.09297946
  H     15.46318374      6.45253443    -14.18349778
  O     16.24668333     11.85053229    -10.93528083
  H     12.81750412      9.07677099    -16.31976917
  H     18.56760382      9.61081655    -10.30043607
  O     15.16469674      5.94872044    -13.41220885
  H     13.57238549     11.20106031    -13.14101095
  H     19.29386788     10.82264713    -10.88830169
  O     18.59739402     10.57476535    -10.26917779
  H     14.82218535     10.54366926    -13.71129332
  H     17.74231256      4.30845625    -12.80636533
  O     17.04454543      3.89756920    -13.34852905
  H     14.34793105     11.54682900    -11.03898690
  H     17.04386568      2.96729913    -13.14163072
          69
 Energy    -249.23357079328377     
  O     11.00010145     11.59871463     -9.90558610
  H     11.65381834     11.97745167     -9.29582748
  H     14.87536556     11.64209666    -15.03005881
  O     11.43693433      9.58362824    -16.53454794
  H     10.15040612     11.68036900     -9.47815109
  H     16.32327261      8.14976706    -10.34073526
  O     12.49439988      8.99915269    -13.99024262
  H     11.31177026      9.06997240    -17.32796626
  H     15.36056550      7.61261391    -11.44593629
  O     15.11898082     13.50312100     -9.29592129
  H     11.91321602     10.39210035    -16.79541597
  H     13.23076296      7.95721513    -11.18492908
  O     12.63135072     11.96140863    -17.12215414
  H     12.12285410      9.06358059    -14.87915756
  H     13.20693043      7.73286786    -12.69246692
  O     11.25746891     11.24861964    -12.75353463
  H     12.07383922      9.69742102    -13.46883794
  H     15.30559580     13.96405846    -12.56598214
  O     14.11308670      9.89818570     -7.79627391
  H     15.81595158     12.84351097     -9.40937656
  H     13.75301932     13.93829822    -12.57754975
  O     14.51076711     11.10637257    -11.62860902
  H     14.91478778     13.82848756    -10.18344571
  H     12.02370751      9.99333016    -10.06904930
  O     12.90180371     12.56586107     -8.08661745
  H     11.99134531     12.63534078    -16.86234342
  H     13.42519928     10.00246517    -10.70591440
  O     17.89777450     11.61914955    -12.60288349
  H     13.45664547     12.19024374    -16.67474243
  H     17.04547714      8.51159741    -12.61968302
  O     12.57411787     13.44384585    -13.90539077
  H     11.75873209     12.00246739    -13.09670521
  H     17.99492247      8.28466187    -13.82187586
  O     14.76554597     12.54540008    -15.36934373
  H     11.13878686     11.40051341    -11.81014148
  H     16.88237416     10.55900739     -9.48319484
  O     16.27843929      7.85904127    -11.25688144
  H     13.80598030     10.80452611     -7.69924256
  H     15.99722988     11.16776517    -10.58734863
  O     13.60953272      7.40185757    -11.88123001
  H     13.63442023      9.56913414     -8.57191629
  H     15.78905427      9.57276070    -14.04032939
  O     14.52547952     13.91488290    -11.99679336
  H     14.73153994     10.76072123    -12.50304530
  H     14.20871429      9.56814028    -14.17192653
  O     12.81103979      9.45290271    -10.19159446
  H     14.43979905     12.06551270    -11.71229394
  H      9.96963945     14.25719108    -16.27204453
  O     17.39678317      8.91734970    -13.43486357
  H     13.69819273     12.92466786     -8.51841322
  H     10.17577102     12.85619833    -15.64500651
  O     16.78462634     11.33618038    -10.04550013
  H     12.75222515     13.10386890     -7.31316356
  H     15.69429222      9.26977478     -8.21310644
  O     15.00649112     10.11415565    -14.20145343
  H     17.82436352     10.71822510    -12.93896394
  H     16.97725485      8.47798421     -7.87244837
  O     10.63449079     13.66868894    -15.92610871
  H     17.68449403     11.56728154    -11.66112419
  H     17.41368182     14.42563123    -13.91647251
  O     16.53882660      8.94921787     -8.57586782
  H     11.88871497     13.69866238    -14.53475487
  H     17.18970322     12.99608790    -13.37019092
  O     16.73954678     13.77190603    -13.75181635
  H     13.32124820     13.12209439    -14.43258181
  H     10.09824978     10.61405885    -15.59638974
  O      9.65358568     11.28525295    -15.06376056
  H     15.48804758     13.05772199    -14.98881834
  H     10.04539925     11.21692966    -14.18182058
          69
 Energy    -249.23345686587390     
  O     16.41944217     13.19552427    -16.03649109
  H     16.42853731     14.01636100    -16.52094126
  H     15.20978098      7.96070904    -18.06776064
  O     15.72690150      6.71863150    -14.08856937
  H     15.52835075     13.10733731    -15.65138173
  H     14.61728020      9.79518261    -14.78504462
  O     18.04014852     12.41140982    -13.82066565
  H     15.46003395      6.88307773    -13.16867851
  H     15.50912661      8.62608782    -14.26929830
  O     18.83920247      6.89405862    -17.90901208
  H     16.68841975      6.81065260    -14.14682801
  H     12.96027223     10.25604518    -12.24015081
  O     17.10321334      9.18225477    -10.50431813
  H     17.53648416     12.75438956    -14.56812913
  H     12.30708330      9.05660071    -12.96586761
  O     11.50856877      8.49495146    -14.61917637
  H     17.39235993     12.07308967    -13.18828631
  H     18.91513245      8.00653196    -12.88729695
  O     13.56333668     12.12483420    -12.23567093
  H     19.04763817      7.69394792    -17.40852690
  H     19.50295498      9.42201313    -12.78157859
  O     19.04105910      4.77780836    -15.97669080
  H     19.07545643      6.15280475    -17.33761144
  H     13.54950942      9.81716788    -16.67546422
  O     14.98765728      7.59447519    -11.66612241
  H     17.85513731      8.99252963    -11.09513146
  H     12.46729953      9.78036154    -15.55260518
  O     16.22664506      6.49881043    -18.56028757
  H     17.42379357      9.08766268     -9.61176009
  H     19.54719935      9.64005142    -15.51262681
  O     16.33841493      4.82295681    -16.20863032
  H     12.15168881      7.86167543    -14.98802221
  H     18.29939320      9.60306237    -16.42891842
  O     14.76853550      8.71532187    -17.65596605
  H     10.64576866      8.10165135    -14.71607895
  H     18.63302688      7.73609601    -15.00820009
  O     15.47965704      9.57931605    -14.40635016
  H     13.35618908     12.67958339    -11.48752588
  H     18.78450459      6.20855652    -14.79905580
  O     12.84887398      9.29964809    -12.20577685
  H     14.49065265     11.84890781    -12.13165906
  H     20.92431230     11.17470699    -13.97833266
  O     19.09663522      8.71963113    -12.26061333
  H     19.41226786      3.90352690    -15.90082072
  H     19.38669321     11.35089804    -13.99463690
  O     13.17015877     10.31740832    -15.94127304
  H     18.07636045      4.67045960    -16.06761692
  H     16.68834725     11.43123982    -16.62819826
  O     19.07117430      9.09048337    -16.14795237
  H     15.65720018      8.09327645    -11.18583364
  H     16.38953460     10.15592063    -15.81453546
  O     18.46249180      7.01692822    -14.38241844
  H     14.22378908      8.18076495    -11.77672714
  H     15.90250175     10.56511517    -12.98157451
  O     20.10502820     10.69756130    -14.07877700
  H     17.16740394      6.68299491    -18.38832198
  H     16.44205412     10.55522754    -11.52726818
  O     16.73821550     10.46879658    -16.66528813
  H     16.18005479      6.09607216    -19.42403534
  H     13.76712240     12.68864476    -14.04481857
  O     16.10726304     11.13492843    -12.22260097
  H     16.13702382      5.34289524    -16.99692021
  H     13.59681239     12.00580388    -15.41246878
  O     13.96781222     12.78964090    -14.98240372
  H     15.98385581      5.32096777    -15.46325075
  H     14.20266704      6.81414686    -15.10677213
  O     13.48769064      7.02672792    -15.72075119
  H     15.47349798      9.34431052    -17.44662056
  H     13.89852014      7.54274665    -16.42607404
          69
 Energy    -249.23301755954535     
  O      1.36987227      1.97102709      6.67273291
  H      0.52749469      2.36273164      6.94357566
  H      3.29980074     -2.98776761      6.52764178
  O     -1.82514570      3.56478018      4.86405333
  H      2.09296806      2.46003622      7.08105144
  H      4.69595266      0.02290894      8.04835680
  O     -1.12736374      2.91737210      7.39372517
  H     -1.18781439      4.20870152      4.52032282
  H      3.61240175     -0.26142102      9.12279973
  O      3.62133976      3.29408851      7.69419391
  H     -1.69690760      2.74905622      4.36873687
  H      8.18767437      2.56882335      5.40738330
  O      4.88386006      3.56513836      2.05623467
  H     -0.90068773      3.67096356      7.94653343
  H      6.84778019      3.25760165      5.04965385
  O      2.45272741      3.88066073      3.41793025
  H     -1.44349046      3.25097782      6.53611095
  H      1.41468791      1.62997472      4.97266819
  O      0.07455674      4.99043361      8.95005165
  H      4.23389700      2.59916767      7.41782765
  H      0.52073749      1.14264572      3.81157092
  O      5.75768804      1.22928934      3.12551959
  H      3.65082404      3.98763174      7.02142382
  H     -1.96577815      0.40149820      3.34795831
  O      1.13156122      6.36164143      6.73266848
  H      5.18179595      2.68939089      2.36170810
  H     -1.47097499      0.58206304      4.80099241
  O     -1.61275019      0.25600813      6.53322900
  H      5.14925778      3.64548860      1.14423101
  H      2.93011147      0.39072467      4.35354013
  O      0.15611574      5.35935993      4.16535133
  H      3.22491822      3.80197109      2.84465911
  H      3.50243735     -0.80733583      5.16764694
  O      3.08176907     -2.05961950      6.52673226
  H      2.09257065      2.99100219      3.53794913
  H      4.66339419      0.85120916      6.00101922
  O      4.26010257     -0.68280905      8.54691670
  H      0.71681398      4.35221782      9.31172996
  H      5.97985845      1.60190091      6.33406356
  O      7.25659447      2.40524507      5.28642736
  H     -0.36962737      5.38236884      9.69770081
  H      2.74100967      5.68421813      6.04070974
  O      1.43031109      1.37261582      4.03548504
  H      6.37796015      1.50116903      3.81307748
  H      3.09419531      4.69316477      4.90195953
  O     -1.32323642      0.86297890      3.88026897
  H      5.09211204      0.68246623      3.56378512
  H      1.09640290      0.29503644      7.20222790
  O      3.74869170     -0.02582405      4.65848818
  H      0.96999636      7.29031182      6.88752007
  H      1.51900351     -1.19713589      7.15385080
  O      5.17627179      1.23718534      6.72543405
  H      0.76502578      5.88804810      7.49449667
  H      5.20049724      4.96923594      4.96824087
  O      3.45968123      5.15838996      5.67017561
  H     -1.61314304      1.12416952      6.95944002
  H      5.65519658      4.43194014      3.59734857
  O      0.89288922     -0.58559858      7.55862277
  H     -0.87347279     -0.22473366      6.92590057
  H      2.62455610      3.31788527      9.19528485
  O      5.97276945      4.65272836      4.48208847
  H      0.44843428      5.73317736      5.00397901
  H      1.83426910      2.24860682      9.96467324
  O      1.89449824      3.19969406      9.82176128
  H      0.92905667      4.92464823      3.78191902
  H      1.45577257     -0.04426439      9.19721901
  O      1.91379431      0.31773840      9.97337236
  H      3.55648319     -1.65580969      7.27660459
  H      1.61068132     -0.18619323     10.72566961
          69
 Energy    -249.23238597801503     
  O     10.55117551     10.11206066    -12.39231336
  H     10.23485937      9.54337899    -13.10553946
  H     16.68949404      6.69855437    -16.75077976
  O     13.94176486      7.06632406    -15.03761330
  H     11.27939773     10.62695731    -12.76156230
  H     19.24682559      6.59557099    -16.72542995
  O     17.05027648     10.16868243    -10.68112740
  H     14.51787850      6.87459949    -15.79291947
  H     18.46732143      7.91398923    -16.49801013
  O     18.10425263      9.53485360    -16.98857255
  H     13.31234726      7.75490097    -15.29081308
  H     15.74731866     12.02239935    -15.01484814
  O     12.25908705      9.22489989    -15.46838693
  H     16.93995356      9.27134689    -10.32864234
  H     15.08943935     13.38576747    -15.31897683
  O     16.35928241      7.58793611     -9.87293894
  H     17.77776361     10.13173119    -11.30951268
  H     15.05833555      8.23941547    -14.27434845
  O     13.83070276      6.00209939    -12.50589214
  H     17.82926482     10.11935490    -16.27175598
  H     15.26290833      9.19991870    -13.04970990
  O     14.52287866     10.09562817    -11.66702863
  H     17.35993580      9.48964147    -17.60375831
  H     10.72954408      9.03981715    -11.01752671
  O     15.80541734      9.16484041    -18.58424016
  H     12.48285931      9.87463033    -14.78534441
  H     10.18942054      8.51099436     -9.66704267
  O     16.61521123      5.54927835    -11.92618733
  H     11.40383816      8.84894101    -15.22505014
  H     11.90723728      6.11936775    -12.48933484
  O     17.15350691     10.93323729    -14.69275309
  H     15.39665067      7.66941954     -9.83732704
  H     10.88591989      6.94742634    -11.67993157
  O     15.77287519      6.76832218    -17.03954055
  H     16.52330414      6.84869996    -10.46826031
  H     19.97145972      9.88154267    -12.61765022
  O     18.55156583      6.98798370    -16.20431690
  H     14.73105985      5.72190870    -12.30423150
  H     18.79169828      8.96002362    -12.99307001
  O     14.90198094     12.45550406    -15.21780203
  H     13.84302323      6.31133965    -13.42496712
  H     17.13916102      7.87427425    -13.59273547
  O     15.68834465      8.81847139    -13.82895795
  H     15.39202995     10.28567861    -11.28189261
  H     18.24307842      7.15080974    -14.41299094
  O     10.82974546      8.33650378    -10.35119915
  H     14.14054783      9.36100832    -11.16837480
  H     13.30842243     10.09019726    -16.72216624
  O     10.99488749      6.43326939    -12.49018447
  H     15.13292369      9.69133268    -18.11527665
  H     14.27564989     11.28821143    -16.60495256
  O     19.03310717      9.87810488    -12.79188897
  H     15.63838528      9.27434774    -19.51628725
  H     13.63084459      7.18972213    -11.12578452
  O     17.97194017      7.37888283    -13.51366078
  H     17.09485550      4.73226695    -11.80962963
  H     12.64191377      7.99308044    -10.23603446
  O     13.99103847     10.58292906    -17.19716293
  H     17.16786921      6.11924894    -12.48467084
  H     13.49438967     11.73963073    -14.10581811
  O     13.57851421      7.82953819    -10.40051841
  H     17.88091363     10.84536090    -14.06687100
  H     13.46201606     10.85139882    -12.84322625
  O     12.91794359     11.17555787    -13.57887191
  H     16.56390476     10.18691349    -14.49168686
  H      9.13533481      7.75738082    -14.69492315
  O      9.95938938      8.10565605    -14.36606659
  H     15.74477387      7.52771303    -17.63599372
  H     10.32218079      7.44037194    -13.75381705
          69
 Energy    -249.23225972542264     
  O     10.29276082     10.46640447    -10.86935627
  H     11.05335554     10.65451369    -10.29064531
  H     10.20492077     11.06713691    -18.02357365
  O     14.53061000     10.70250179    -12.62971310
  H      9.53996996     10.33284457    -10.29969449
  H     14.00856752     13.78386756    -13.87864616
  O     17.13948369     13.56863029    -13.85417479
  H     14.32178624      9.86351768    -12.20119866
  H     13.79201165     14.56526299    -15.19759090
  O     15.51933485      7.53948706    -13.92192263
  H     15.45669032     10.91358063    -12.44337517
  H     18.80208191     11.93687071    -16.62705158
  O     10.73886612     11.98040690    -13.18326000
  H     17.52221987     13.19680484    -14.65783468
  H     17.90310723     11.16750335    -15.63210000
  O     12.34159714     15.11771984    -16.22814948
  H     16.27102871     13.90624629    -14.10717015
  H     13.66940622     13.36777181    -10.76087761
  O     15.19590701     12.17408863    -16.55860991
  H     15.00707800      8.08273892    -14.53508742
  H     13.92255226     14.26100469     -9.52469246
  O     14.63174621      9.15616106     -9.17055215
  H     16.41521102      7.88435242    -13.98203069
  H     17.41030965     10.23984988    -13.69679314
  O     13.18273435     13.03584802    -12.44471488
  H     10.46461103     11.52951193    -12.37493888
  H     16.44206191      9.77496179    -14.81337494
  O     14.46656457      9.87810444    -15.22073065
  H     11.07343737     11.29577560    -13.78169121
  H     15.73608113     10.70747994     -9.47581316
  O     12.45138627     10.98023801     -9.32430273
  H     12.03482609     15.99195435    -16.45301757
  H     15.49216743     12.21014946     -9.69923387
  O     10.68890076     11.33827556    -17.24819152
  H     11.56761124     14.62206745    -15.90455221
  H     12.58558722      9.90069501    -15.14379396
  O     14.45470894     14.08970984    -14.68079633
  H     16.15951404     12.16168473    -16.59545869
  H     11.25040868     10.35481843    -15.77978415
  O     17.97908687     11.98774916    -16.14797473
  H     14.94950301     12.82961181    -15.88773487
  H     12.69826527     13.70109789    -17.49231879
  O     13.94451659     13.35720416     -9.82887626
  H     14.83435031      8.48065694     -8.52821677
  H     13.70933865     12.55037455    -17.62054023
  O     17.37332152      9.80379084    -14.56332084
  H     14.45857672      8.69919730    -10.01156310
  H     11.02590804      9.08484991    -11.96068219
  O     16.17657797     11.53036495     -9.72140541
  H     13.66489517     12.19300349    -12.47939402
  H     11.45590782      8.87427290    -13.42695162
  O     11.64210690     10.00520857    -14.96865356
  H     12.26809145     12.82147812    -12.66935436
  H     17.00874501     11.44508339    -11.31110416
  O     12.83965298     12.84705130    -17.91944063
  H     14.66999926     10.62767278    -15.79792014
  H     17.22052223     12.19557930    -12.68282948
  O     11.51368050      8.48990038    -12.54360733
  H     14.45084403     10.21649149    -14.30935123
  H     10.24008601     12.82600801    -16.09026870
  O     17.18385581     11.32560661    -12.25590120
  H     12.90191688     11.83028434     -9.39535222
  H     10.30415880     13.12349183    -14.58366330
  O     10.26943331     13.54851578    -15.45106826
  H     13.14544092     10.32457271     -9.18507019
  H     13.12951617      8.14240408    -11.91980254
  O     14.05537090      8.13977492    -11.62890532
  H     11.47062390     11.82899799    -17.56029857
  H     14.59330033      7.77463909    -12.34432852
          69
 Energy    -249.23188542592396     
  O     10.94434061     10.71685180    -12.04130327
  H     11.72645408     11.18844444    -12.35182528
  H     15.87651085     13.36659313    -15.12601969
  O     12.89266842      7.19141020    -14.30872541
  H     10.40171599     10.56013745    -12.82489677
  H     16.61501943      7.84546607    -13.52811898
  O     17.27405093     10.45623674    -10.51797913
  H     13.25016294      7.21758330    -13.40957529
  H     15.60151540      8.13389941    -14.65424711
  O     18.06027440      8.77806626    -16.77868591
  H     13.59654080      6.91483005    -14.90815801
  H     10.99350000      9.16529437    -11.20297047
  O     12.29583643      9.76295797    -15.20852398
  H     17.45860642      9.62893446    -10.05474904
  H     10.53361511      8.28629561    -10.01615361
  O     16.06954702      6.34190847    -10.82238380
  H     16.38681270     10.35816819    -10.88967739
  H     19.49282100      8.91949521    -12.12975454
  O     14.88294043      9.91751556    -11.84888786
  H     18.04887109      9.50939027    -16.14979299
  H     19.06355075      7.94787467    -11.01456891
  O     15.53796477      8.81250325    -18.10508775
  H     17.26299494      8.87224168    -17.31668035
  H     10.36470232      7.51153531    -12.51953625
  O     17.58381760     10.67349636    -14.67286336
  H     11.34249567      9.85984527    -15.09386005
  H     11.05907102      7.12058428    -13.83651914
  O     15.09365061      6.95299980    -16.03555614
  H     12.52389128      8.87274529    -14.90588024
  H     19.84529466     11.42890553    -12.06514965
  O     17.84743517      6.18760966    -15.95314322
  H     15.17124439      6.60797999    -11.05368379
  H     18.49343117     10.76881003    -11.69896960
  O     15.53074392     12.49084603    -14.97118875
  H     16.53887959      6.18287153    -11.65287487
  H     18.40109198      6.89485253    -12.78086209
  O     16.05036574      8.53665992    -13.90267213
  H     14.31076640     10.57801999    -12.25891730
  H     17.83077898      6.21089365    -14.07280537
  O     10.98080203      8.25473891    -10.85763472
  H     15.31859825      9.44709105    -12.57745464
  H     17.18909503      7.31972246     -9.91538264
  O     19.47921722      7.98685488    -11.88661278
  H     15.07067530      9.57588646    -17.71882259
  H     18.05664067      7.51542095     -8.65133858
  O     10.19958433      7.35001137    -13.45737723
  H     15.33919340      8.81050207    -19.03725108
  H     14.66415550     11.45608501    -16.32374276
  O     19.18021580     10.82750729    -12.38920003
  H     17.03708501      9.91166988    -14.42349535
  H     13.48522087     10.45894238    -16.39379139
  O     17.64122405      6.41631759    -13.15021393
  H     18.21888588     10.79425059    -13.95474273
  H     14.02008673      8.35691180    -11.57396703
  O     17.87557412      7.88148480     -9.51253307
  H     15.13543525      7.53225163    -16.80850546
  H     12.70313587      7.62547697    -11.23761707
  O     14.23474423     10.81011228    -16.89538019
  H     15.94407430      6.49697092    -15.99928209
  H     14.03402268     12.06037782    -13.84386379
  O     13.58908525      7.48906609    -11.59472447
  H     18.39067340      5.62571278    -16.49920755
  H     12.96115265     10.96571494    -14.01351671
  O     13.31397417     11.61296745    -13.38380279
  H     18.01991095      7.10457536    -16.23336535
  H      8.73272918      9.88638556    -14.79573686
  O      9.60538534      9.81456416    -14.42001320
  H     16.29755866     11.90440318    -14.85990501
  H      9.70918647      8.89456823    -14.11444867
          69
 Energy    -249.23123157191310     
  O     17.61123793     11.10262570    -13.87841418
  H     17.92529706     10.78061864    -13.02072782
  H     16.14761614     12.03484867     -9.90712086
  O     11.71110287      8.97217365    -13.30242695
  H     16.83538898     11.64192568    -13.69244333
  H     16.37846351      9.43363657    -11.71681531
  O     18.91673180      7.25185184    -11.20014492
  H     12.13106093      8.17931604    -12.93074336
  H     15.10119058      9.29093150    -12.59646729
  O     12.97386821      7.06972405    -16.93149310
  H     11.26575682      8.68991842    -14.11052703
  H     17.80850772      9.78495400    -14.98672509
  O     15.09848668      6.23643487    -14.13208623
  H     18.54652394      7.06260102    -12.08339620
  H     18.61717952      9.17890773    -16.15816130
  O     14.16071981     10.07095775    -13.98967788
  H     19.73228151      6.76377795    -11.13264011
  H     11.76254530      5.71659969    -13.45412780
  O     16.05598871      9.23875776     -8.16352704
  H     13.17412833      6.16423696    -16.66496410
  H     10.91325993      6.10952112    -14.67534953
  O     13.44530829      4.52675448    -15.66140927
  H     13.76272943      7.58836261    -16.72135171
  H     16.90295797      6.53698318    -13.70311842
  O     13.79139535      9.86003681     -9.72968180
  H     14.66467232      5.52515897    -14.62047197
  H     17.90735504      7.55537375    -14.28657088
  O     16.35892746      7.07627641     -9.97741045
  H     15.11431420      6.99647971    -14.73200580
  H     10.44028230     10.32781699    -10.64522318
  O     13.56031705      6.90119369     -9.71658228
  H     13.24847982      9.85064715    -13.75807386
  H     11.37569642      9.87275019    -11.77799946
  O     15.32524514     12.21365325    -10.37812293
  H     14.36029516     10.97423354    -13.71397865
  H     13.11324623      6.67594179    -11.44316051
  O     15.49935211      9.03439582    -11.75704602
  H     15.17934967      9.50000328     -8.47546559
  H     13.75896407      6.55513820    -12.86748750
  O     17.91007264      8.99375493    -15.54604653
  H     16.25692594      8.41806526     -8.63282211
  H     11.50263503      7.59379992    -16.15430196
  O     11.29271570      5.35020998    -14.21775173
  H     13.40294677      3.61155627    -15.92378401
  H     10.00913196      7.97498960    -16.27588779
  O     17.80459065      6.87197455    -13.61364560
  H     12.63570254      4.71190589    -15.15195510
  H     18.14002972     11.65273263     -8.27556171
  O     11.35693794     10.30357229    -10.90885039
  H     14.34670345      9.56877877    -10.47131294
  H     17.12387177     10.52893707     -8.60016767
  O     12.92892130      6.69161292    -12.39183006
  H     12.90882455     10.05398825    -10.07710907
  H     16.13473834      8.59960794    -15.93299167
  O     10.70190939      7.80919179    -15.64242713
  H     17.27565257      6.94475060    -10.24220686
  H     14.80772663      9.07894981    -15.29092688
  O     17.65130974     11.25113211     -8.98835476
  H     15.98090398      7.64528537    -10.66707197
  H     14.99246193     13.41227890    -13.27798468
  O     15.18843978      8.41816268    -15.89020781
  H     13.45738730      7.83862645     -9.52075733
  H     15.24700063     12.43226562    -12.11133795
  O     15.19638671     12.50179190    -13.08078093
  H     14.50899942      6.72725762     -9.64790334
  H     18.10074342     10.41602058    -10.56821996
  O     18.14996891      9.96075683    -11.41861846
  H     14.69629176     11.55241347    -10.06499680
  H     18.52436454      9.08258780    -11.27151098
          69
 Energy    -249.23068795711896     
  O     12.05481499      9.43507506    -13.14067628
  H     12.09937438      8.69302621    -13.76380789
  H     16.31462418      5.78035904    -18.08682674
  O     14.83967044      6.58832482    -14.99424762
  H     12.28619183     10.22310231    -13.64759298
  H     18.40544010      7.87797076    -15.28510793
  O     16.24427604     11.39097283    -10.72404783
  H     15.33375463      6.40727005    -15.80171798
  H     17.72782431      7.40308749    -16.59450077
  O     17.32439639     10.46700863    -17.08136810
  H     15.15939692      7.43328224    -14.64165569
  H     12.78081191     12.37169950    -14.98205436
  O     12.18427148      7.30529131    -14.91205668
  H     16.83743076     10.83584940    -10.20142858
  H     14.05641201     11.51501385    -14.83632539
  O     16.66208428      7.23437161     -9.73987142
  H     15.49249616     10.82676828    -10.95221098
  H     15.78585554      9.71164793    -14.27020657
  O     14.63233269      5.41849858    -12.49515875
  H     17.73225204      9.64273204    -16.75842317
  H     15.30183246      9.06257316    -12.95016830
  O     14.31935688      9.54615985    -11.51876491
  H     17.94446623     10.85800209    -17.69122714
  H     11.41056292      8.39468491    -11.75652677
  O     15.20974507      8.75202708    -18.07329758
  H     13.10759682      7.05242351    -15.06166549
  H     10.42132798      7.98007480    -10.64707214
  O     17.42425644      5.53248721    -11.90429193
  H     11.83087680      6.61909229    -14.32976333
  H     18.89300747      9.77895597    -11.19087763
  O     15.84562173     11.41530199    -14.94465809
  H     16.98240569      6.61233067    -10.40448532
  H     18.75657447     10.64568361    -12.45615432
  O     16.29942748      6.40310097    -17.36581452
  H     15.70010125      7.15779425     -9.74913868
  H     11.45871333      6.11138586    -12.17297229
  O     18.29535830      8.08887704    -16.22034812
  H     15.55598063      5.28546280    -12.24938762
  H     12.63329040      5.25264051    -12.67747074
  O     13.08628885     11.48728463    -14.79339046
  H     14.66155568      5.75411990    -13.40341220
  H     17.07375206     11.96688379    -12.11384771
  O     15.73255562      8.87492434    -13.79431357
  H     13.51132245      9.60043198    -12.04563305
  H     17.99914239     13.03224735    -12.75012004
  O     11.23353286      7.72395939    -11.07770271
  H     14.26495041      8.72007385    -11.01998244
  H     18.70204424      8.38151461    -12.96225439
  O     19.20755261      9.87204708    -12.09993726
  H     14.35789014      8.98278689    -17.67357618
  H     17.31021700      8.07947701    -13.54694367
  O     11.71615909      5.48823170    -12.86299372
  H     15.83211257      9.44616934    -17.83244249
  H     17.53969784      8.72442729     -9.56919331
  O     17.58334673     12.18976592    -12.91510496
  H     18.09215540      4.85139610    -11.90839292
  H     18.45716565      9.56928791     -8.65782461
  O     18.18847741      7.69299578    -13.40984472
  H     17.75235765      6.24898620    -12.47446729
  H     12.86349358     10.12262124    -16.16798965
  O     18.03122736      9.56282203     -9.51087300
  H     16.35623225     11.18250810    -15.73285988
  H     12.45711240      8.64124786    -16.25711448
  O     12.84821332      9.36505849    -16.76262284
  H     16.46368433     11.74719167    -14.27801302
  H     14.12596271      6.46523181    -11.10348495
  O     13.90996363      7.05595761    -10.36508217
  H     15.87139422      7.21470612    -17.69956038
  H     12.95991417      7.21569361    -10.41074954
          69
 Energy    -249.23062075948542     
  O     11.64953597     10.18712951    -15.00990998
  H     12.08906281      9.52013029    -15.55437041
  H     15.79753155      5.63091279    -14.90485236
  O     16.12642562      6.35379412    -13.22259175
  H     12.16731806     10.99368825    -15.11836957
  H     18.83773558      7.71645091    -13.69339018
  O     17.36770035     11.67813483    -12.76298613
  H     15.59637666      6.49057094    -12.42589019
  H     19.53430431      6.52085559    -13.01040595
  O     18.08465107     11.36303859    -15.34037457
  H     17.04609403      6.56936074    -13.02229229
  H     15.46238705     10.75715216    -17.32788668
  O     12.68631091      5.64135326    -15.59864133
  H     17.59340155     11.42219844    -11.86225626
  H     16.44707307     11.40838345    -16.31160734
  O     15.34479095      9.91589535     -9.14839349
  H     16.42211741     11.49260857    -12.85646554
  H     15.56005010      7.88044666    -14.04834008
  O     14.41894698      6.96207348    -11.13420014
  H     18.74638336     12.01131641    -15.56915504
  H     16.01350041      8.53942002    -15.35580885
  O     14.74966988     10.91830378    -13.23893021
  H     17.87580451     11.50010962    -14.39819014
  H     11.26215352      9.46919328    -13.47520896
  O     16.85089392      7.70221301    -16.87291258
  H     12.57379123      5.89112683    -14.66300125
  H     10.17125826      9.14608532    -12.42744066
  O     16.11122331      7.14786681     -8.91709086
  H     12.07153499      4.93308328    -15.76824568
  H     18.48338312      7.80359339    -11.20138649
  O     18.81576361      8.61951353    -15.16750647
  H     14.60359858      9.89609676     -9.76840103
  H     18.19331461      9.02691496    -10.29486107
  O     15.56278897      5.49175488    -15.83371849
  H     15.52066462      8.99531606     -8.91836779
  H     13.04179474      6.47054003    -12.35516312
  O     18.81451412      7.13914947    -12.90959679
  H     14.11771084      7.88145635    -11.17671783
  H     11.87049630      7.30135524    -12.91384249
  O     15.58440658     11.50629358    -16.73378920
  H     14.92923558      6.88567459    -10.31851542
  H     18.12482352     11.40920749     -9.40215566
  O     15.40389175      8.64730603    -14.61535196
  H     14.26831931     11.49700895    -13.84126923
  H     16.85336776     10.59851021     -9.73646314
  O     11.09335771      9.01401590    -12.63086629
  H     15.00915437     10.13322552    -13.74771623
  H     14.21457007      8.86321665    -17.69049271
  O     18.23888485      8.06261654    -10.30476704
  H     16.42015057      6.86947406    -16.62067508
  H     14.52276208      9.17933655    -19.17320867
  O     12.37050915      6.48683633    -13.04807032
  H     16.29316487      8.13391385    -17.52878885
  H     12.57858955      9.43989624    -11.56716430
  O     17.73279321     10.85170441    -10.06964737
  H     16.91630722      7.41270113     -9.39975468
  H     13.93030218     10.11569197    -11.88631126
  O     14.89926073      9.19364063    -18.29708480
  H     16.39442914      6.62851567     -8.17011234
  H     13.35052922     13.29632564    -15.41253495
  O     13.46515600      9.58963751    -11.21820392
  H     18.63628054      9.56626944    -15.20681264
  H     14.21693220     12.09093945    -15.84998736
  O     13.47214495     12.36001487    -15.28158867
  H     18.27686430      8.22201107    -15.86625192
  H     12.94751487      7.36018839    -16.20627298
  O     13.23396300      8.27588446    -16.31369356
  H     14.60058789      5.43882928    -15.84349860
  H     13.93157195      8.41539525    -15.65432557
          69
 Energy    -249.23040649015638     
  O     15.23686222     13.69616933    -16.07618036
  H     15.71483366     13.11286151    -15.46540240
  H     15.07901189     10.89674921    -14.86494160
  O     17.33796768      8.70341350    -16.63784781
  H     14.81824545     13.11984831    -16.72287994
  H     17.04373180      9.97858097    -17.75476342
  O     15.55971874      9.88153456    -11.20601551
  H     18.06369182      8.70627195    -16.00308783
  H     17.27587794     10.48372886    -19.19741951
  O     17.77677891     15.78012619    -13.74709781
  H     16.58990171      8.28934692    -16.18838693
  H     15.20571134     11.29735227    -18.02906756
  O     15.17931858      7.87714418    -15.02121733
  H     14.78687953     10.18844277    -11.70309347
  H     13.77974114     11.59309828    -18.55340557
  O     14.40781354      7.77980213     -9.73918569
  H     15.23292133      9.24284953    -10.56091765
  H     19.07938762     12.87889077    -13.20877197
  O     15.52075992      6.15294051    -11.61748059
  H     18.19781348     15.01091223    -13.32407243
  H     18.08633156     13.19883132    -12.06644093
  O     16.42194235     11.87079180    -14.30446597
  H     18.25125250     16.54984422    -13.44424473
  H     19.91846666      8.11055928    -14.27696077
  O     13.32551666     10.85599195    -12.59515572
  H     14.76657088      8.75070748    -15.09894735
  H     18.49585619      8.52689087    -13.83433413
  O     16.99551907      8.21729617    -12.94274853
  H     14.52881981      7.28728906    -14.62154970
  H     12.97726532      7.04024916    -12.94443870
  O     19.16583458     11.55036350    -14.52629843
  H     14.82364303      7.11720101    -10.31980718
  H     12.67259380      5.73580374    -13.72005556
  O     14.26706116     10.46329203    -15.17823897
  H     14.40658967      7.41585443     -8.85841813
  H     14.19875872     14.16804106    -12.55049951
  O     16.85776014     10.71126412    -18.37022822
  H     14.82417447      6.04463397    -12.27746525
  H     13.29174205     14.09684500    -11.30056055
  O     14.31860296     11.59660247    -17.76662704
  H     16.18852755      6.71328554    -12.03355387
  H     17.86746387     15.26847308    -15.61303779
  O     18.81879983     13.56542916    -12.57949455
  H     17.35930025     11.72248916    -14.48446835
  H     16.82568294     14.59742332    -16.50979929
  O     19.21184650      8.72385533    -14.46246482
  H     16.37051462     12.15049323    -13.38264035
  H     15.57641970     12.93912405    -11.49506213
  O     13.36892530      6.35338567    -13.51360859
  H     13.51433511     10.75696484    -13.53910970
  H     16.26536536     11.57107025    -11.26297543
  O     13.82786049     13.56349589    -11.88147294
  H     13.38456694     11.79619558    -12.38429273
  H     12.98458698      8.14395553    -11.00522614
  O     17.74533521     14.89423525    -16.49349727
  H     16.59751539      8.86101494    -12.34144017
  H     12.60258380      9.20085909    -12.06479329
  O     16.42730484     12.48504451    -11.53546424
  H     16.37434096      8.09872864    -13.67709726
  H     15.91528085     15.44224702    -13.65186287
  O     12.47491901      8.27646390    -11.81420339
  H     19.31357461     10.59867777    -14.50511581
  H     14.91046089     14.76929359    -14.60108245
  O     14.99900580     15.14380477    -13.71422578
  H     19.20050532     11.84166619    -15.45215301
  H     18.55132993     13.33574538    -16.94361930
  O     18.86540655     12.42695456    -17.07167896
  H     14.10635572     10.79950076    -16.06678688
  H     18.17001727     11.95670297    -17.54066608
          69
 Energy    -249.23028025996854     
  O     10.56336648     11.96429839    -12.51681895
  H     10.83408630     12.02678184    -13.44305169
  H     13.87383595     12.21902367    -12.78595711
  O     15.09039246      8.23985267    -16.83760884
  H     10.78542911     11.06984898    -12.23945871
  H     15.67113571      8.88211114    -11.05735359
  O     11.81553514      9.41815366    -11.70748893
  H     15.41403763      9.12232171    -17.06349995
  H     16.24912021      9.56378826     -9.78695956
  O     14.99365605      8.75286008    -14.14928054
  H     14.16362105      8.22507822    -17.10611001
  H     12.99780704     14.47264787    -11.15408205
  O     12.58641240     12.01946898     -9.02283066
  H     11.49111625      9.32565909    -10.80340738
  H     13.91564020     14.15450557    -12.34300538
  O     15.83584871     10.98775263    -17.10434461
  H     12.56982513     10.03103935    -11.66116853
  H     14.61618997      7.93893118    -12.55061465
  O     12.24333001      9.03153923    -14.44016516
  H     15.41031094      9.62419287    -14.13030602
  H     13.39028519      8.13653271    -11.65304851
  O     13.72072638      8.08072999     -8.81888699
  H     15.11879495      8.40665394    -15.04564218
  H     17.15934419     10.97870259    -11.57593497
  O     13.90327742     11.14623802    -11.34606067
  H     12.07218277     11.20974329     -8.91545374
  H     17.05782603     12.51131485    -11.49403787
  O     11.38560171      9.43324789     -8.93211484
  H     12.03190440     12.67601947     -9.46560863
  H     11.89247114     10.80634768    -14.82051446
  O     16.22870221     13.81857740    -10.31391894
  H     16.54657843     11.40531215    -17.58466957
  H     12.10901288     11.81422324    -15.95101491
  O     13.89047238     12.78201289    -13.57686684
  H     16.00869751     11.14586695    -16.16092527
  H     15.64884278     12.72471352     -8.89929701
  O     16.20863324      9.62323549    -10.75004729
  H     13.20752164      8.96309509    -14.36335421
  H     14.29850761     12.20208208     -8.35426656
  O     13.89207124     14.60494104    -11.48624119
  H     11.89997430      9.01548357    -13.53915769
  H     16.69875036     11.50004037    -13.66200939
  O     14.28202086      7.77091436    -11.65561481
  H     14.47841367      8.53834110     -8.43081596
  H     15.32660486     11.92752938    -14.21940831
  O     17.40353939     11.79327443    -12.03716114
  H     14.01168518      7.75660114     -9.67867038
  H     13.95804541     11.31096558    -17.40979618
  O     11.77396167     11.73955281    -15.04589976
  H     13.56727740     11.53502049    -10.52809858
  H     12.71201022     10.42307870    -17.55639022
  O     15.25611082     12.14621088     -8.23356170
  H     14.74448847     10.71946747    -11.14261681
  H     15.73373042     10.51902552     -7.98032265
  O     16.08376633     11.34980105    -14.39385728
  H     10.73856990      9.05911036     -8.34021105
  H     16.59673619      9.45704640     -7.25121086
  O     12.99564796     11.34215826    -17.47482825
  H     12.20787686      8.92260373     -8.81299503
  H     10.95485243     13.21068659    -11.34891425
  O     15.96456352      9.57190078     -7.95505407
  H     15.39881338     14.12988620    -10.71513222
  H     10.50488690     14.45168898    -10.54339443
  O     11.22088148     13.83022705    -10.64665928
  H     16.75605756     14.59721938    -10.15027063
  H     11.53202846      8.02919837    -17.51220448
  O     12.25371369      8.55876562    -17.18207490
  H     13.13678999     12.52629734    -14.12353173
  H     12.12096704      8.64318606    -16.22393791
          69
 Energy    -249.23022466143527     
  O     13.71375488     10.96867538     -8.45470975
  H     13.71826409     10.87783323     -7.50599420
  H     16.15520006     13.83275683    -17.62811937
  O     11.45283985     11.59798649    -15.35303838
  H     14.37170089     11.65291903     -8.67692085
  H     13.46893678     14.47024839    -11.05096750
  O     14.37690139      8.98732229    -10.41789695
  H     11.33454726     12.34905397    -14.75081214
  H     12.50576075     13.21617880    -11.02091321
  O     18.50558316     13.24744809    -13.16115474
  H     11.85551255     11.94905228    -16.15628110
  H     11.82024908     14.75060971    -14.96107011
  O     11.82552070     11.63904219    -10.41713642
  H     13.59945833      9.00361639    -10.99084946
  H     12.44639130     14.43570634    -16.33351567
  O     12.25233171      9.50229436    -12.19743664
  H     14.18574675      9.59256339     -9.69147122
  H     15.47413953     12.29456902    -12.42437232
  O     13.77212240     10.37821266    -14.33378884
  H     18.15717654     12.79927116    -13.95400688
  H     14.06778012     12.97732943    -12.45417601
  O     14.97846646     15.35736906    -10.38434101
  H     19.44645610     13.33472241    -13.28680597
  H     16.86542469     12.25099286    -15.93266286
  O      9.93720028      9.85204031    -13.80773566
  H     11.98941226     10.92420947    -11.04918089
  H     17.17128713     11.03822019    -15.02406619
  O     15.02289649     14.65223501    -14.74475452
  H     12.34999645     11.42618140     -9.63517647
  H     12.70588308     12.80914035    -18.40222378
  O     11.01767291     13.73136570    -13.61583617
  H     11.39203829      9.42404944    -12.62474118
  H     13.82460964     12.90446980    -17.34518794
  O     15.59952942     13.32359770    -17.04183931
  H     12.86955224      9.73447953    -12.90738098
  H     15.92369601      8.97136553    -11.19673121
  O     12.84952581     13.93998560    -11.56580816
  H     14.16551352     11.14420448    -13.88368368
  H     17.32044886      8.31655620    -11.30128021
  O     12.44815723     15.08145218    -15.61845453
  H     12.99783789     10.71477355    -14.79923164
  H     16.58351181      9.26045454    -13.52904572
  O     14.73157066     12.52831206    -12.99490825
  H     14.99743570     16.22909916     -9.99827818
  H     15.47527517      9.66172537    -14.51881823
  O     17.48300745     11.92188491    -15.27447813
  H     15.59495223     15.37414147    -11.13799567
  H     17.58285501     12.24243779    -11.92598590
  O     12.86418607     12.83377743    -17.46108132
  H      9.32280114      9.32144510    -14.30878993
  H     16.98925544     10.85732732    -11.48395389
  O     16.79078438      9.03502587    -11.63652889
  H     10.41197371     10.40795296    -14.44785511
  H     10.11746258     11.96283694    -11.32803540
  O     16.42848116      9.51483620    -14.44608330
  H     14.94930060     13.88232935    -14.15927738
  H      9.46535513     11.27276981    -12.54165594
  O     16.91010647     11.81462556    -11.38086667
  H     14.12544795     14.93576850    -14.97402226
  H     17.34057330     14.71924158    -12.69659442
  O      9.46103032     12.08786629    -12.02559544
  H     10.30880486     13.28826798    -13.12879568
  H     16.09788509     15.32289226    -13.36206739
  O     16.63053905     15.35639404    -12.55572716
  H     11.69067608     13.93317054    -12.94973220
  H     15.34699159     13.73139820     -9.48163288
  O     15.51166320     12.82069169     -9.21294747
  H     15.47200660     13.86410369    -16.24140876
  H     16.08235461     12.44643758     -9.89952901
          69
 Energy    -249.22992980080153     
  O     12.94155173      5.76108494    -15.53381574
  H     13.35682670      5.11661808    -16.11902315
  H     17.51498312      6.87598528    -16.90631225
  O     18.44870149      6.09056362    -12.31050627
  H     13.25530706      5.58307484    -14.63668893
  H     15.53010694      7.34593597    -15.75751844
  O     15.64784910      6.07667465    -18.86477116
  H     19.20171355      5.89069712    -12.88046383
  H     16.72297788      7.35109285    -14.75927578
  O     15.10766864      7.33785546     -9.74154285
  H     18.08004124      6.93232981    -12.61993861
  H     13.87244184      9.37632382    -13.34652153
  O     14.01939215      5.54028464    -12.92184610
  H     15.28126839      6.96763049    -18.92581879
  H     12.75443735     10.38879530    -13.64486524
  O     17.27381442      8.33958539    -13.32222737
  H     16.57614453      6.19417814    -18.63327147
  H     16.50994223      4.38061616     -9.86605521
  O     16.47071850      4.14529424    -15.64388630
  H     14.47801047      6.60586096     -9.77041649
  H     16.07088898      3.67346951    -11.15395307
  O     13.47417840      5.00457208    -10.19245122
  H     15.97772931      6.93157046     -9.64563895
  H     13.46014610      7.37543515    -15.95593408
  O     19.94879356      7.96062593    -15.68649615
  H     14.86425236      5.07060152    -12.96065921
  H     13.73358823      8.84672183    -15.46755516
  O     14.34400566      4.12469779    -17.46266277
  H     13.65114920      5.35426646    -12.04877443
  H     21.40687646      5.59884134    -14.14528616
  O     19.14872476      4.45207940    -16.48448439
  H     17.48726512      9.09116407    -13.88948415
  H     20.33849386      6.57249480    -14.69488992
  O     18.17211530      6.75004494    -17.61209717
  H     16.38416598      8.44912880    -12.95646614
  H     17.17874412      4.80838580    -12.73016162
  O     16.35893166      6.90406578    -15.53228569
  H     15.76119040      3.91168688    -16.25333191
  H     16.50192297      3.96697797    -13.84923558
  O     13.47336942      9.91176007    -14.05172482
  H     16.42415208      5.11128121    -15.55709121
  H     18.36568566      6.07516245     -9.07411052
  O     15.87482391      3.73924808    -10.20828130
  H     12.80564234      4.55440026     -9.68364529
  H     18.00090403      5.99918407    -10.57244007
  O     13.94074272      8.19549836    -16.15087123
  H     14.28340759      4.46435473    -10.13631786
  H     14.36038148      8.60423992    -17.77372283
  O     20.46503346      5.73708210    -14.20989184
  H     19.49005712      7.59404287    -16.45241103
  H     14.02799902      9.22632866    -19.15303755
  O     16.46914812      4.17583388    -12.90587593
  H     19.46963447      8.76540064    -15.46068240
  H     14.44633115      7.31927830    -12.64718215
  O     17.63644019      5.93882433     -9.67403906
  H     13.94930285      3.50446161    -18.06990973
  H     14.85137321      8.06445841    -11.35896159
  O     14.70789901      8.76468000    -18.66994656
  H     14.77734108      4.80813116    -18.00440076
  H     18.31370308     11.09280159    -15.26124072
  O     14.71576108      8.18508087    -12.30991169
  H     19.61506960      4.72979236    -15.68798408
  H     17.76749939      9.96679714    -16.16577613
  O     18.10833686     10.16154317    -15.27502570
  H     18.27214439      4.16305493    -16.19417879
  H     16.42758869      9.35458828    -18.13856097
  O     17.32308995      9.44708150    -17.79083244
  H     18.61054227      5.90935354    -17.41178421
  H     17.74847270      8.59631023    -17.95667718
          69
 Ord_Energy   -249.229630    
 O    6.91693687     -0.321737826       9.58227730    
 H    6.95042324     -0.356141686       8.61347103    
 H    6.30880547      0.390851170       9.80607700    
 O    3.37216115      0.936923921       5.35623693    
 H    2.54487514       1.38771844       5.21186829    
 H    3.40325975      0.704523921       6.30285883    
 O    4.35286331      -1.39961958       4.03378868    
 H    4.59606552      -1.89785445       4.82694626    
 H    3.94057655     -0.592519939       4.36152411    
 O    7.00617886     -0.427137852       6.81006145    
 H    6.69358158      0.358705282       6.34457827    
 H    7.87800884     -0.653260946       6.46044874    
 O    7.22200251       3.27332497       8.88000011    
 H    7.18783998       3.63440490       7.98555994    
 H    8.12859344       2.96889639       9.00592709    
 O    6.04058552       1.75937963       5.31569529    
 H    6.47567892       1.49885237       4.48717880    
 H    5.10300684       1.54142308       5.25815439    
 O    10.3826141      -2.39283609       8.12778473    
 H    10.1756859      -1.63129342       8.70074940    
 H    11.2053528      -2.75803971       8.44164658    
 O    5.26186371      -2.54628682       6.39587164    
 H    4.66193438      -2.57868171       7.15066910    
 H    5.87884521      -1.81568468       6.55523014    
 O    3.72295070      -2.43003178       8.72394466    
 H    4.53529119      -2.65380287       9.21663570    
 H    3.01820660      -2.94512630       9.10567665    
 O    9.48450565      -1.21702814       5.77410603    
 H    9.87798405      -1.65073454       6.54092836    
 H    9.16236877      -1.89854145       5.16168070    
 O    6.53112698      -1.62278712       2.44633436    
 H    6.26051569      -1.87158120       1.56633508    
 H    5.71749830      -1.54014671       2.97571921    
 O    10.0881214      0.917388082       4.22959614    
 H    9.93256378      0.147466406       4.80525637    
 H    10.8925104      0.741625249       3.74786949    
 O    6.05810070      -2.94025660       9.91823483    
 H    6.73648262      -3.44149876       9.44368172    
 H    6.39000702      -2.03242087       9.95922947    
 O    7.45003986      0.972900808       3.15063930    
 H    7.22351837       8.55209604E-02   2.84557796    
 H    8.37990952      0.957159162       3.40914011    
 O    9.69166565     -0.254018724       9.59899521    
 H    9.87384701      0.664443970       9.36703873    
 H    8.73633289     -0.298668861       9.74496746    
 O    3.56173921      0.325785667       7.97359324    
 H    3.59329987     -0.583563983       8.29421425    
 H    4.07039976      0.860786617       8.59503460    
 O    9.98314190       2.47116494       8.89985275    
 H    10.0059195       2.59453773       7.93415022    
 H    10.6401854       3.05909586       9.26418972    
 O    9.85052299       2.91782713       6.23543167    
 H    9.00060654       3.35724664       6.10608721    
 H    9.94867039       2.28417730       5.51520777    
 O    8.40245342      -3.01516819       4.07407665    
 H    7.91540766      -3.67495322       4.58445120    
 H    7.76698875      -2.59635258       3.47982478    
 O    7.23433971       4.03121853       6.15149212    
 H    6.76241827       3.23640108       5.84491491    
 H    6.90702486       4.76340199       5.63628817    
 O    6.88981342      -4.65363884       5.80204296    
 H    6.25070858      -3.95014763       6.01138687    
 H    6.38974333      -5.45909977       5.69719267    
 O    8.06876373      -4.10150528       8.38309193    
 H    7.79532862      -4.35219765       7.49370813    
 H    8.86132526      -3.56131101       8.28375435    
 O    5.13187313       1.84345782       9.80813503    
 H    4.80243969       2.27575827       10.5916700    
 H    5.85641670       2.39898062       9.46727943    
          69
 Energy    -249.22955766757659     
  O     -1.18671342      3.64392685      2.59379446
  H     -0.57073254      2.94324834      2.84035334
  H     -0.79573215      8.27708390      0.57753922
  O     -2.89232928      5.60080141     -0.67610287
  H     -1.84470540      3.29310988      1.97741153
  H      0.51154691      1.16379986      0.10416825
  O      3.98346044      5.74080949      1.90073221
  H     -2.87930752      6.29815624     -0.00895713
  H      1.86348063      1.89084915      0.06081651
  O      1.64645735      7.23758070      2.21934694
  H     -2.05223636      5.67859611     -1.15131162
  H     -0.18223857      4.08907340     -2.43437741
  O     -0.33864034      5.69489353     -1.67290105
  H      4.91262997      5.86245919      2.07794333
  H     -0.36319719      2.57980545     -2.05295866
  O      2.18187275      3.50648181     -0.93370264
  H      3.87679590      5.80559890      0.93486849
  H      1.00524410      8.13701528     -1.07161151
  O      0.53349188      4.97886004      0.82498232
  H      2.53537935      6.86645083      2.14464626
  H      1.69756807      8.52090565     -2.40209663
  O     -2.47586871      7.59529724      1.27263359
  H      1.36562577      7.10312259      3.13338856
  H     -2.89009392      1.24161108     -3.20486170
  O     -1.06278947      1.45499787     -0.80581020
  H     -0.08395844      5.47034301     -0.76285972
  H     -3.78994898      0.89335792     -2.00830703
  O     -1.61267241      6.23604017      3.45296903
  H      0.23978080      6.42099889     -1.93281420
  H      2.91177874      4.61882623      3.14131852
  O     -2.91524130      3.06986258      0.53219383
  H      1.61001002      3.34767333     -1.69415325
  H      1.93481504      3.48832907      3.57436834
  O      0.09984316      8.54645755      0.34578344
  H      1.63883633      3.96352922     -0.27151065
  H     -3.71714061      3.76133990     -3.17123724
  O      1.35478183      1.24970878      0.57135033
  H      0.88791332      5.74281421      1.29492288
  H     -3.94772809      4.72592631     -1.97787887
  O     -0.05170931      3.18053368     -2.74781949
  H     -0.05567231      4.51891312      1.43522231
  H     -2.24518674      2.85730843     -5.14692434
  O      1.50597442      7.78288829     -1.82991300
  H     -3.11086530      8.24624957      1.56160063
  H     -1.51144172      2.97354634     -3.79422219
  O     -3.03329474      0.57782145     -2.51882098
  H     -2.17315489      7.13072566      2.07348180
  H      1.03857168      1.13567748      3.69115754
  O      2.33344258      4.32129645      3.85327864
  H     -1.65052094      0.95635772     -1.39128662
  H      1.14117230      1.63190561      2.22954223
  O     -4.38281101      4.07725546     -2.54699626
  H     -1.63902576      2.02757349     -0.28257590
  H      1.15752813      6.63539263      5.68302021
  O     -2.38372893      2.85168210     -4.20286916
  H     -1.57171932      5.29365261      3.23499464
  H      1.38656628      5.61732672      4.53965207
  O      0.95332837      1.91166526      3.14368618
  H     -0.84607043      6.39472909      4.01487030
  H     -5.96884952      1.83928833     -0.87931605
  O      0.89415083      6.41964231      4.79284105
  H     -2.91494207      3.95774032      0.14575858
  H     -4.90573375      2.73382483     -1.56456240
  O     -5.02919600      1.96907839     -0.97221991
  H     -3.68993644      2.61599257      0.17809677
  H      2.89221894      6.59807385     -1.14378410
  O      3.50763930      5.96443789     -0.75791884
  H      0.66778857      8.21739416      1.05836485
  H      3.17379051      5.08475643     -0.98307773
          69
 Energy    -249.22906443552489     
  O     12.33218615      9.68605803    -15.49253918
  H     12.84473338     10.50087066    -15.53407622
  H     19.15258714      8.57442887    -14.54095488
  O     16.69630773      6.79689118    -12.03417743
  H     12.70775949      9.10040690    -16.16212609
  H     16.81176501      8.54602179    -16.91188019
  O     17.03707936     11.38411047    -11.69782226
  H     15.88436878      6.85891594    -11.51128350
  H     16.26705360      9.96915994    -17.10095649
  O     16.57564771     11.73179817    -16.40243929
  H     17.31552380      7.46502503    -11.71080392
  H     15.03713253      7.83843079    -14.43062947
  O     14.34590034      6.30377268    -15.20462177
  H     16.86562143     11.60681160    -10.77480842
  H     15.98142001      7.96196559    -13.22837673
  O     14.09418204     10.29054017     -8.75672965
  H     16.17504411     11.26092699    -12.12344047
  H     10.23598185      8.79472877    -13.32670726
  O     14.26353139      7.19363286    -10.73872501
  H     17.06600625     12.26854432    -17.02048835
  H     11.57745203      9.10296288    -14.03225805
  O     14.70449158     10.87611334    -13.04240037
  H     17.15031034     11.61379759    -15.62439877
  H     17.97969744      8.89724915     -9.61726499
  O     15.22765416      7.72043405     -8.15412781
  H     13.68275500      6.22297485    -14.50071175
  H     17.28203307      9.96002632     -8.74993481
  O     17.81081535      7.87279314    -15.44480743
  H     13.94452895      6.72994766    -15.96917331
  H     12.11055734      7.10283234    -13.05563423
  O     16.96579626      5.43548598    -14.53935529
  H     13.58686330     10.14051456     -9.56594910
  H     13.21053964      6.44424332    -12.19991734
  O     19.77032409      9.05294309    -13.96096991
  H     14.35008981      9.41648426     -8.43712935
  H     17.86001335     11.55208530    -13.36732323
  O     16.13707800      9.05545063    -17.37937105
  H     14.52638464      7.23390659     -9.81053359
  H     18.83116645     10.69696957    -14.20262670
  O     15.55572875      8.47943265    -13.92676152
  H     13.85423888      8.04761139    -10.93710546
  H     17.90293692      9.78058945    -11.54642775
  O     11.18178593      8.76365867    -13.20962687
  H     14.39072687     11.39709006    -13.78813420
  H     18.98780259      8.91475197    -12.22043712
  O     17.53385882      9.02823906     -8.77090012
  H     14.99430695     10.01898425    -13.40075596
  H     16.43887547     12.38285255     -8.34475933
  O     12.70260822      6.34189036    -13.01410247
  H     15.33008103      7.21220568     -7.35420021
  H     15.54172852     11.24645768     -8.89163882
  O     18.19224896     11.41665858    -14.26440740
  H     16.09701834      8.11302725     -8.35130609
  H     14.52259484      8.37411262    -17.41168089
  O     18.38781931      8.94576617    -11.46644565
  H     17.07411359      8.29828039    -14.98053308
  H     13.38286784      7.74988447    -18.24972846
  O     16.41515094     11.67008725     -8.97727966
  H     17.68778705      6.92749841    -15.26802127
  H     13.58240294     10.16468776    -11.83818549
  O     13.62251086      8.00556253    -17.36285634
  H     16.05416869      5.55187852    -14.84294084
  H     12.25585080      9.38047481    -11.81467756
  O     12.99405666      9.65882237    -11.25896902
  H     16.95650752      5.70750779    -13.61148301
  H     13.67616636     12.93227626    -15.71564078
  O     13.97676252     12.05434593    -15.49291520
  H     20.65037911      8.79815594    -14.22529113
  H     14.87277040     11.96374893    -15.85534716
          69
 Ord_Energy   -249.228943    
 O   -5.53449154      -2.16443515       4.30453396    
 H   -4.60482168      -2.34278965       4.11648893    
 H   -6.04433155      -2.84132314       3.83792186    
 O   -3.06292033      -5.83877516       4.02208614    
 H   -3.02361894      -4.88665009       3.87090492    
 H   -3.94723177      -6.13150311       3.76316023    
 O   -8.26136017      -7.91302347       6.17693329    
 H   -8.21160316      -8.13767719       5.24088717    
 H   -7.37114573      -7.62978220       6.42343426    
 O   -7.02089596      -4.24347019       3.21186805    
 H   -6.49284983      -5.05099869       3.26359129    
 H   -7.58313894      -4.26110744       4.00292253    
 O   -6.83643198      -4.53225946       7.82947397    
 H   -7.64529037      -4.39499617       8.33667088    
 H   -6.37136459      -3.68971109       7.72089434    
 O   -9.44570065      -1.63398004       7.91440868    
 H   -9.53197193      -2.53059554       8.25809479    
 H   -9.71837902      -1.66954839       6.98800468    
 O   -9.68531799      -1.88649297       5.09684086    
 H   -9.22512913      -2.72102141       5.27589941    
 H   -8.99999523      -1.22460818       4.92128611    
 O   -8.42576408      -4.28964663       5.54380703    
 H   -7.78355742      -4.30203009       6.26410437    
 H   -9.09680653      -4.93957758       5.78424788    
 O   -10.1934528      -6.06911230       6.80042839    
 H   -10.7896843      -6.01795101       6.03881884    
 H   -9.57659817      -6.80312157       6.65133190    
 O   -2.91549969      -3.37223697       6.76606894    
 H   -2.96245098      -4.32370758       6.91913700    
 H   -3.75257111      -2.99258041       7.06430626    
 O   -11.4510975      -5.72060823       4.39974546    
 H   -11.0478373      -6.24782085       3.70107961    
 H   -11.4996643      -4.82108784       4.05305099    
 O   -5.72316456      -6.71208668       6.60290098    
 H   -4.76969004      -6.67107010       6.74498892    
 H   -6.10256147      -5.96875811       7.09518814    
 O   -2.84733772      -2.96662021       4.08170843    
 H   -2.78172874      -3.06717014       5.04914188    
 H   -2.06864619      -2.49393702       3.79946399    
 O   -5.49707603      -2.25991940       7.10456991    
 H   -5.54136705      -2.24195766       6.13692045    
 H   -5.96991110      -1.47930169       7.41965246    
 O   -5.75423622      -6.64226246       3.80231166    
 H   -5.76658630      -6.63219023       4.77158117    
 H   -6.42863035      -7.27716255       3.53425550    
 O   -9.48810291      -4.35683489       8.82417107    
 H   -9.86769962      -4.64524174       9.65044975    
 H   -9.81034279      -4.97168589       8.14194298    
 O   -10.0921955      -7.02271128       2.17628598    
 H   -10.6803684      -7.30919647       1.48210323    
 H   -9.80566692      -6.11993742       1.94455886    
 O   -2.94899654      -6.25421095       6.70371008    
 H   -2.20425987      -6.79074955       6.96204329    
 H   -2.90511894      -6.15881252       5.73453379    
 O   -11.3144760      -3.07450867       3.27538538    
 H   -10.7932863      -2.56108141       3.91617346    
 H   -12.0230293      -2.50683022       2.98321986    
 O   -7.51512384     -0.217047215       4.89103174    
 H   -7.33915567      -3.24026607E-02   5.82137299    
 H   -6.77984428     -0.763769567       4.58296871    
 O   -9.37213898      -4.47696257       1.70663226    
 H   -10.0024586      -3.90056872       2.15623617    
 H   -8.50456429      -4.30177927       2.09633207    
 O   -7.18089962     -0.143374681       7.77392769    
 H   -7.22697115      0.609448910       8.35664368    
 H   -8.00461578     -0.648355961       7.89912176    
 O   -7.96528435      -8.36186695       3.33672047    
 H   -8.71385860      -7.90604115       2.92020893    
 H   -7.95395327      -9.24914455       2.98457885    
          69
 Energy    -249.22842595669940     
  O     11.68897618      9.08677315    -15.61027583
  H     10.82629915      9.19727651    -16.00146780
  H     18.79566355     11.56778653    -13.83794378
  O     17.43064228      8.13680719    -13.06838159
  H     11.96970781      9.96523663    -15.29947780
  H     14.56225245      9.60786346    -13.53812097
  O     15.66234961     11.56254000    -11.11141751
  H     16.65740545      8.60024479    -13.43202835
  H     14.88404183      8.98861494    -14.94842816
  O     15.59254716     11.89999962    -15.19093717
  H     17.98952245      7.94723536    -13.83022294
  H     12.12621881      7.66379025    -14.39862842
  O     16.12343893      6.60375727    -16.14487670
  H     15.84416076     12.32735165    -11.66926181
  H     12.54441876      7.25572539    -12.95799720
  O     13.60213522      8.11325784     -8.54118870
  H     16.46130842     11.01456860    -11.13993639
  H     18.33664694      8.61836023     -7.93775957
  O     15.66361275      6.36806860    -11.88567911
  H     15.52827432     11.03102719    -14.76388378
  H     17.19799403      8.02395236     -8.80172985
  O     13.46864618     10.33600529    -12.26076292
  H     15.87132469     12.52894225    -14.51417612
  H     13.76098017      5.81068702    -14.15128433
  O     18.39310149     10.75897423    -15.44556219
  H     15.45777748      7.22285353    -16.47639889
  H     14.19631057      4.33963074    -14.34522919
  O     16.06621487      6.73503182     -9.12306972
  H     15.66756596      6.06066959    -15.49147594
  H     16.66744667     14.41003043    -12.95462203
  O     18.46658842      7.87424852    -15.65054947
  H     13.04938051      8.13326435     -7.76497789
  H     17.38185308     13.03503957    -13.01569562
  O     18.77470048     12.03425457    -12.98948888
  H     14.12353845      8.93644740     -8.53797818
  H     18.02505897      9.62427310    -10.28310099
  O     15.27124174      9.37247112    -14.15093846
  H     15.33237696      5.83943787    -12.62202118
  H     17.87161616      9.31715148    -11.80203825
  O     12.45985695      6.93405286    -13.86514420
  H     16.35922282      6.93309478    -12.25140911
  H     16.12511850      9.89577522     -8.51051810
  O     17.72157324      8.82832872     -8.63514473
  H     14.18527359     10.78282579    -11.78773780
  H     15.29443790     10.86136754     -9.37718548
  O     14.53430519      5.21988507    -14.20106237
  H     13.32391672      9.47822305    -11.83939869
  H     15.76422225     11.28494631    -18.38550811
  O     16.51037847     13.47431435    -13.04531556
  H     18.37768292      9.80235754    -15.57334736
  H     15.29650202     11.44662930    -16.92943736
  O     17.98783735     10.03046727    -11.15722950
  H     17.49177143     11.06861708    -15.57158354
  H     14.12779702      7.31208051    -11.49259292
  O     15.24302931     10.27578650     -8.61171157
  H     15.19609473      7.04823557     -8.84738782
  H     13.25030140      7.83757965    -10.33017669
  O     15.12471169     10.96467908    -17.75341016
  H     15.97403563      6.46320061    -10.04611532
  H     12.80723666     11.17038795    -13.72767955
  O     13.29633474      7.76574228    -11.29179079
  H     17.64723900      7.39693194    -15.87421251
  H     13.48632013     11.81000545    -14.95022710
  O     12.65059572     11.44740799    -14.64423736
  H     19.17568095      7.43144083    -16.10880424
  H     13.31215221      8.68069281    -16.44641767
  O     14.24953862      8.58474035    -16.65326532
  H     18.68003098     11.35970440    -12.30494494
  H     14.52132824      9.37117428    -17.14883097
          69
 Energy    -249.22821870813684     
  O     18.45628436      4.34850365    -11.04883750
  H     17.72452096      3.77560881    -11.30637970
  H     16.41612425      9.06700719    -14.91441686
  O     17.32083956     10.23678515    -13.77821267
  H     18.21727899      4.73696805    -10.19890036
  H     11.96193393      4.92223444    -13.61996123
  O     13.12035383      7.43078394    -12.29645592
  H     17.86425179      9.66637930    -13.20456327
  H     13.35206710      4.47835200    -13.11816181
  O     11.45264263      5.28690475    -15.30496545
  H     17.84344541     11.01118409    -13.96852543
  H     15.44720492      5.93248259    -10.95102337
  O     14.91973769     10.38693686    -12.20230141
  H     14.04532643      7.32102374    -12.02738324
  H     16.20075783      7.28762219    -11.01013637
  O     17.33797719      8.12166063     -9.80923388
  H     12.80590248      6.54842083    -12.53481111
  H     19.11898901      5.36651748    -12.29366008
  O     18.72947217      8.61022022    -12.15972863
  H     11.45075559      6.20136117    -15.61324565
  H     20.24834306      5.65202237    -13.31276028
  O     13.84725880      4.23656922    -16.54231560
  H     12.15915777      4.84896585    -15.79578681
  H     11.57866589      8.37157507     -9.58015920
  O     17.42050318      5.52585322     -8.61045480
  H     15.76639973     10.41111924    -12.66478366
  H     12.53749342      7.81255870    -10.65443069
  O     11.78110853      7.98528207    -16.26297755
  H     14.27056393     10.18759367    -12.88463410
  H     13.19523313      8.56839369    -13.62980929
  O     14.27491808      6.85476717    -17.08760881
  H     17.40850820      7.33582214     -9.25529357
  H     14.23471602      8.93006239    -14.72206736
  O     15.88812053      8.35702958    -15.30157248
  H     16.52988029      8.60519138     -9.56912114
  H     14.08923082      8.86570765     -9.49071554
  O     12.49160927      4.79680420    -12.81770286
  H     19.03561505      7.73930909    -12.43540426
  H     14.87192567      9.77240299    -10.47386625
  O     15.64418291      6.68638879    -11.52066414
  H     18.34542498      8.50329710    -11.27769773
  H     12.35898594      4.84088409    -10.90918989
  O     19.39103485      5.95174012    -13.02317095
  H     14.07343775      5.15631630    -16.77246997
  H     12.38401191      5.89207790     -9.76716989
  O     12.37207643      7.85337006     -9.69703405
  H     13.88362334      3.73491074    -17.35232787
  H     16.37062694      6.35428306    -13.06898241
  O     13.36452302      9.17090088    -14.37187920
  H     16.56796883      5.15355154     -8.89614070
  H     17.69679974      6.02130552    -13.79430492
  O     14.92026947      9.33514680     -9.60929743
  H     17.55240370      5.24916880     -7.70706356
  H     14.22749802      4.59202696     -9.75394773
  O     12.53077793      4.95913551     -9.96485605
  H     11.17233387      8.59038467    -16.67863544
  H     15.40961359      3.79859374    -10.41475327
  O     16.74526507      6.10197548    -13.92919024
  H     12.26244185      8.49309582    -15.58765342
  H     16.09428706      1.83059896    -11.88129189
  O     15.19205757      4.50406033     -9.79317140
  H     14.91052964      7.40741191    -16.61540799
  H     15.71200782      3.13263886    -12.61906662
  O     16.11842660      2.78181938    -11.80922824
  H     13.41282587      7.26833321    -16.95244529
  H     14.59128065      3.93378248    -14.87617327
  O     14.98103255      3.99558393    -13.99490911
  H     16.19417372      7.54165574    -14.87844774
  H     15.61874647      4.72463481    -14.03584510
          69
 Ord_Energy   -249.228012    
 O   -2.68833232       6.41688299       3.19420266    
 H   -3.53132939       6.11466408       3.55806804    
 H   -2.83037496       6.49285603       2.24312401    
 O   -1.10247982      -1.12944329       5.13689375    
 H  -0.842266738     -0.478484720       4.46693134    
 H  -0.300736278      -1.37149620       5.59386683    
 O   -1.89484107       2.87961936       4.88562536    
 H   -2.55194712       2.95594406       4.17423105    
 H   -1.33360946       3.66063261       4.80741549    
 O   -6.13304520      -1.45840979       6.62432241    
 H   -6.12936687      -2.38967848       6.83102131    
 H   -5.26949263      -1.25728464       6.22546053    
 O   -2.45615196     -0.133766338       1.19662893    
 H   -2.12106991     -0.846022367      0.658437669    
 H   -2.98404002      0.438578814      0.610365808    
 O   -2.38094592       3.67419577      0.470351547    
 H   -1.49694657       3.61560369      0.862542629    
 H   -2.61132789       4.60567331      0.370524228    
 O   -6.94244623       1.40825665       3.20760560    
 H   -7.49259567      0.922695100       3.83982182    
 H   -6.11828518      0.905564010       3.11776257    
 O  -0.469871283       5.16775656       4.11109686    
 H   -1.24786592       5.66100883       3.79291534    
 H   0.118151441       5.80658770       4.50421762    
 O   -4.48009634      0.238421723       3.04768205    
 H   -3.83579922      -7.65485764E-02   2.40215707    
 H   -4.22527933     -0.111981399       3.91186523    
 O   -3.99375176       1.56727171     -0.227458090    
 H   -3.42181325       2.34833121     -0.171293691    
 H   -4.87289047       1.85388291       4.41185609E-02
 O   -8.15286350      0.128702775       5.31298637    
 H   -7.52731133     -0.489073634       5.71170187    
 H   -8.31822586      0.798285484       5.98810959    
 O   -4.01400137       2.02547002       6.48356915    
 H   -4.76698399       2.47274876       6.07132435    
 H   -3.21124959       2.39668441       6.09428310    
 O   -5.92459917      0.886866808       8.26763630    
 H   -5.16104603       1.30696666       7.85001707    
 H   -6.00504398       1.76771991E-02   7.85432339    
 O   -3.76025152     -0.578341782       5.59043217    
 H   -3.78983879      0.322074562       5.94791508    
 H   -2.83302498     -0.840824306       5.50825644    
 O   -5.78565359       5.26067829       1.09716344    
 H   -5.72737598       5.32117319       2.06104732    
 H   -6.06780577       4.35866308      0.906264365    
 O   -6.34111357       3.16424513       5.36066532    
 H   -7.01233196       2.97356248       6.02696323    
 H   -6.55221128       2.62164950       4.58817005    
 O   -5.08809185       5.08922052       3.80246997    
 H   -4.58337975       4.35747004       3.40965533    
 H   -5.62866592       4.66607714       4.47929335    
 O   -8.11336327       2.19349766       7.32190323    
 H   -8.69019508       2.53115988       8.00113583    
 H   -7.37125826       1.75237250       7.77328539    
 O  -0.710755408      0.889373779       3.25172329    
 H   -1.14739740       1.53496051       3.82749414    
 H   -1.32947123      0.627376556       2.55686164    
 O   -6.58529997       2.52337813      0.703511357    
 H   -7.35048103       2.34204650      0.161375046    
 H   -6.78869772       2.17071438       1.58530641    
 O   -5.32770418E-02   3.38907099       1.89619577    
 H   -5.06959818E-02   2.51275086       2.29794097    
 H   -8.30534920E-02   4.01875639       2.62797117    
 O   -3.37904000       6.29324007      0.415295541    
 H   -3.44971871       6.97997713     -0.241807088    
 H   -4.28256893       5.96728182      0.582708716    
 O   -3.68121004       2.93729734       2.83975959    
 H   -3.99438524       2.02531147       2.82573271    
 H   -3.26692963       3.14092278       1.99086511    
          69
 Energy    -249.22777251613502     
  O     18.64430742      9.29748266    -15.16377976
  H     18.76735390     10.13274114    -15.60937569
  H     21.03497842      5.15078586    -12.82060626
  O     20.16409760      8.59830753    -10.12516762
  H     17.68993381      9.21128130    -15.00849859
  H     15.67078808      8.08153259    -14.66712710
  O     14.40314642      7.87903132    -10.63520056
  H     20.35698708      7.68302878     -9.89195289
  H     16.07575981      9.16726336    -13.61882536
  O     13.08380867      9.37564522    -14.57674352
  H     20.30615983      8.66209338    -11.07857689
  H     17.92305566      6.42031938    -11.47883053
  O     12.42094675      7.00286375    -15.73626066
  H     13.55668135      8.21255667    -10.95672928
  H     18.82657359      7.29405904    -12.41976412
  O     17.73101335      5.68498518     -9.81310911
  H     15.09159300      8.37653894    -11.10379429
  H     14.79782781      6.05943208    -13.90225812
  O     14.39400506      5.53923334    -12.23769498
  H     12.81625030      9.29599216    -13.65299555
  H     14.15223011      6.46059091    -15.25771992
  O     20.51086302      5.78329114     -9.61011073
  H     14.04638856      9.44472110    -14.58637003
  H     15.39377208      7.62513595     -9.15325457
  O     16.35011942      3.81622090    -11.36264408
  H     12.59324219      7.90237360    -15.40296893
  H     15.61502175      7.48233529     -7.63116627
  O     18.49126434      3.19343688    -13.22104401
  H     11.94929406      7.09730456    -16.55889784
  H     20.93007679      6.36394387    -14.92070577
  O     20.23688594      8.38031276    -12.94382198
  H     17.24293897      6.29981730     -9.25132697
  H     22.45299484      6.22008333    -14.67889454
  O     20.66873609      4.66570684    -12.07132456
  H     18.66388033      5.70937993     -9.56394731
  H     11.23606332      9.05200044    -11.64191793
  O     15.94573520      9.00435877    -14.56701253
  H     15.01740497      4.86024022    -11.94183474
  H     11.86667288      7.80551672    -12.31039111
  O     17.97163197      6.85010423    -12.34268180
  H     14.44419340      6.27382910    -11.61337771
  H     17.22916756      9.05580824     -9.01119505
  O     14.99641329      6.35401694    -14.80515365
  H     20.61275727      5.36303180    -10.48346961
  H     18.58996484      9.38024059     -9.67053669
  O     16.07364570      7.51658908     -8.46705243
  H     21.17077405      5.39721759     -9.04063975
  H     16.63329872      5.57255039    -14.85695232
  O     21.61279906      6.27399677    -14.23153484
  H     17.03685363      3.47788451    -11.94713851
  H     17.69864974      5.87727687    -13.78436099
  O     12.06293644      8.68879962    -11.94835242
  H     16.81291208      4.35928645    -10.70901670
  H     19.26470501      7.60308279    -15.83649039
  O     17.68757344      9.71312245     -9.54509564
  H     18.53551598      2.38952201    -13.73311437
  H     18.84328976      6.14215727    -15.60864602
  O     17.53447175      5.35440452    -14.58713006
  H     18.13402618      3.88078496    -13.80925535
  H     11.87836255      6.34216191    -14.00394329
  O     19.56437799      6.69243318    -15.94612769
  H     19.74102289      8.79720427    -13.65993023
  H     12.59999991      5.79179868    -12.75284843
  O     11.78590217      6.22197206    -13.05068752
  H     20.83158735      7.73583772    -13.34912013
  H     16.90212070      9.51704559    -11.12839989
  O     16.48634094      9.11734328    -11.90662917
  H     19.95946517      4.11282952    -12.42089706
  H     16.98514111      8.30633176    -12.09080417
          69
 Energy    -249.22747967479836     
  O      1.40053151     -4.69003536     -1.24413756
  H      0.64676705     -4.91541638     -0.68266020
  H     -4.06347436     -1.69394254      2.05540905
  O     -3.28602652      1.38026046      2.12002320
  H      2.15233459     -4.60370423     -0.64602390
  H     -0.22758675      0.61958144     -0.71249558
  O      3.08358530     -1.27333013      3.67800530
  H     -3.64149787      0.53650635      2.42570687
  H     -1.21898852      1.74432713     -0.36925256
  O     -3.14111074      1.86588462     -0.54268652
  H     -2.37823749      1.42149687      2.44748006
  H      0.76816820     -3.24097683     -3.99580142
  O      0.95099259     -2.86146669      4.23180307
  H      2.83079323     -0.34604771      3.74432521
  H      0.74740314     -3.70763091     -2.52125435
  O      2.23334029      1.44003133      3.35204691
  H      2.33602797     -1.81348308      3.98613562
  H     -1.01896200     -0.52229547      3.18691831
  O      1.04922307     -5.27028699      2.62393782
  H     -3.27427446      1.71277545      0.41015166
  H     -2.27015945     -1.43514811      3.32713234
  O      3.16892730     -4.30761951      0.96314124
  H     -3.63144733      2.65295429     -0.76463742
  H     -1.60783627     -3.30650312     -2.97222333
  O      2.40174689     -1.61711886      0.99084086
  H      0.10837474     -2.42827152      4.04011084
  H     -2.84320148     -2.46875975     -2.55409411
  O      4.92048047     -3.20428745      2.81421665
  H      0.95554103     -3.68913024      3.73747354
  H     -1.61723569     -5.04774933      0.20493911
  O      2.37661784      1.18407518      0.65564195
  H      2.37071862      1.42536983      2.38672466
  H     -0.63011772     -3.94667428      0.67903157
  O     -4.06613114     -1.24280066      2.92009404
  H      2.65411599      2.23133962      3.67825791
  H     -3.87066975     -5.60831070     -0.94401131
  O     -0.32655633      1.42830844     -0.18738564
  H      1.02354802     -6.13778124      3.02113162
  H     -3.00522819     -4.43946183     -1.47115622
  O      0.30313699     -3.13342861     -3.17052836
  H      0.34559442     -5.24742185      1.95404682
  H     -3.24807410      0.13167923     -1.35357975
  O     -1.30574456     -1.43245083      3.35483636
  H      2.50024952     -4.67954749      1.55391356
  H     -2.09189620     -0.84203238     -1.61503842
  O     -2.54671517     -3.36518368     -2.75641930
  H      3.89919246     -4.03115640      1.53631457
  H     -0.70703357     -1.97660552      1.73935519
  O     -0.74382852     -4.90736653      0.58724812
  H      2.72349302     -2.50378089      0.78480513
  H      0.67118141     -2.02827073      1.00508835
  O     -3.24299423     -4.94430875     -0.67196912
  H      2.64813901     -1.45978621      1.91373491
  H     -0.40102804      1.17816030      1.66065057
  O     -3.05905950     -0.77728978     -1.61410659
  H      5.82498299     -2.99243145      3.03074870
  H      0.36725813      1.28516269      3.00166010
  O     -0.26964423     -2.24425634      0.92180571
  H      4.38003521     -2.50432798      3.21294722
  H     -0.34069978     -1.46937334     -0.63954773
  O     -0.50108793      1.11015219      2.62135048
  H      2.44554772      0.22264215      0.57041177
  H      0.01330671     -1.61718006     -2.14404875
  O     -0.30973483     -0.99263160     -1.48501076
  H      1.53675393      1.42988321      0.24810494
  H     -3.77115626     -3.31325521      0.21264741
  O     -3.94297486     -2.41429138      0.51117923
  H     -4.85398368     -1.52213348      3.37760613
  H     -3.68010464     -1.83313828     -0.21505385
          69
 Energy    -249.22721868418461     
  O     13.94907096     13.92967238    -11.00237464
  H     14.31000717     13.54854063    -10.19190446
  H     13.80836530     13.55311865    -14.84088349
  O     16.69264197     11.98788910    -17.16358618
  H     13.32452996     13.28158129    -11.35431576
  H     16.70324884     13.72565348    -16.37229687
  O     14.61196246     10.25309987    -10.67141722
  H     16.73091468     11.82214664    -18.10286970
  H     15.86362217     14.86516556    -15.74014170
  O     17.33632677     16.07119705    -11.43710046
  H     16.00164651     11.40586467    -16.80741480
  H     13.60258473     16.07725507    -15.51533453
  O     14.78750664     10.44930974    -15.89230657
  H     15.47942055     10.25006702    -11.10641293
  H     14.33706098     15.68951056    -14.21196707
  O     13.58487180      7.72820711    -11.32676310
  H     14.24898795      9.36416288    -10.76507970
  H     19.62681932     11.97639093    -11.85152916
  O     14.82522844      7.26240358    -13.69108489
  H     17.92323115     16.79542383    -11.23307071
  H     18.81522721     12.36073521    -10.58728821
  O     15.99316364     12.94584263    -12.77402354
  H     17.71539794     15.61355051    -12.20857892
  H     18.13787794     11.40938217    -16.02429843
  O     12.69180731     11.70431343    -12.19500860
  H     14.12232308      9.75083770    -15.86268409
  H     18.21492642     10.24845332    -15.02351308
  O     16.81146696      9.14019065    -14.36734789
  H     14.40765614     11.21802059    -15.43971410
  H     12.42130472      8.72867814    -14.63376819
  O     20.08132576     12.59455675    -13.63792701
  H     14.08570472      7.50967754    -12.13388238
  H     12.22012314      8.00963835    -15.98867934
  O     13.94480462     12.65443945    -14.51938096
  H     13.46780666      6.91282970    -10.84690056
  H     16.87845062     13.27012568     -9.54443970
  O     16.76656330     14.56667074    -15.90405030
  H     15.62991762      7.75614033    -13.89778436
  H     17.50472692     14.48184429    -10.27664861
  O     14.12883276     15.39012574    -15.11560962
  H     14.18749364      7.51020443    -14.37111921
  H     16.62702276     11.36957981    -12.31334071
  O     19.25331690     11.62190707    -11.03650901
  H     15.43835099     13.40542250    -12.13184145
  H     17.82023190     10.71756068    -11.58777339
  O     18.70296707     11.01460864    -15.35075774
  H     16.73045360     13.52204896    -13.01151918
  H     14.28540575     15.46436808    -11.95238010
  O     12.87328436      8.44803231    -15.44991710
  H     13.04795787     11.98796911    -13.04969774
  H     15.58615857     16.24073075    -12.18741464
  O     17.71276399     13.64339056     -9.84999487
  H     13.38494950     11.21009589    -11.73196996
  H     11.90147689     10.07225685    -12.77080420
  O     16.96676902     10.51784926    -11.99783641
  H     16.12624218      9.60921258    -14.86326207
  H     12.25649051      8.62179932    -12.40004417
  O     14.70569435     16.09564039    -12.55349733
  H     16.88506579      9.56929552    -13.50005018
  H     15.08471638     12.19873430     -8.09518833
  O     11.79567551      9.15665551    -13.05847595
  H     21.00166354     12.58192518    -13.88734894
  H     14.98350428     11.59108430     -9.51186365
  O     15.19175906     12.40333483     -9.02106078
  H     19.61823452     11.99599308    -14.25146294
  H     17.74157910     14.64129685    -14.44114663
  O     18.13222936     14.57955292    -13.55526726
  H     14.74575041     12.70192747    -13.97126931
  H     18.87044384     13.95806748    -13.58709639
          69
 Energy    -249.22675906307558     
  O     12.62012169     12.65327189    -13.06725349
  H     12.51309252     13.60005190    -13.02802150
  H     18.78093756     11.57810728    -17.25310269
  O     19.22683817      9.26289715    -11.92806597
  H     13.41366248     12.48278122    -13.60406325
  H     13.43635303     10.46806710    -17.16564241
  O     15.72065044     10.25558724    -11.29443637
  H     19.17170978      9.21101666    -12.89434638
  H     12.40346627     11.13925673    -16.23204449
  O     11.18016082     10.88912380    -14.87045274
  H     18.92851606     10.15166740    -11.70749184
  H     16.89124453      9.44485467    -14.17580459
  O     13.95708176      7.99007940    -14.91360118
  H     15.89281595      9.35876286    -10.97160689
  H     15.89271284      9.76145922    -13.02362660
  O     14.52611598      6.20318674    -12.83615069
  H     16.52745489     10.78253455    -11.25091640
  H     12.95009887      8.93118420    -10.20090470
  O     18.43631051      6.81237180    -11.14430255
  H     11.23710070     10.05786732    -14.38325383
  H     14.04484784      7.88242396     -9.90908751
  O     14.76170161     12.00883127    -14.66424651
  H     11.49319893     11.56252520    -14.25435459
  H     18.76432823      9.89707099    -15.27071056
  O     17.92997949      6.87274155    -15.98779126
  H     13.17550220      8.27020922    -14.41559143
  H     18.59075925      8.35844606    -15.11702839
  O     15.78248854      7.56531638    -10.69586122
  H     14.69674101      8.54930278    -14.62593374
  H     17.81863049     12.22739893    -14.97242547
  O     17.22526041      5.86370305    -13.57927612
  H     14.35518321      6.73980393    -13.62318928
  H     16.48988012     12.63377075    -14.33488346
  O     18.31968365     11.18804171    -16.51531358
  H     13.66485693      6.04556740    -12.43114012
  H     18.33914082     12.59024881    -11.14891417
  O     13.18908316     11.31208045    -16.77303043
  H     19.12227106      6.38985986    -10.63489606
  H     17.85051931     12.12829735    -12.53988122
  O     15.95866515      9.56600879    -13.96792538
  H     18.76589969      7.69814831    -11.38266404
  H     12.74539637     11.26734038    -11.82914561
  O     13.09458901      8.04416524     -9.84549055
  H     15.18103664     11.16343472    -14.45376314
  H     13.95172665     10.44516110    -11.32821186
  O     18.73330714      9.17832166    -14.62620502
  H     14.26762163     11.86809402    -15.48714964
  H     17.09691451      8.30058952    -16.99267889
  O     17.44414586     12.62519925    -14.17773630
  H     18.40535741      6.19301153    -16.45877484
  H     15.85161290      9.01588396    -17.55656427
  O     18.01858281     11.83058372    -11.62796343
  H     17.63629184      6.47243719    -15.14975993
  H     11.72193809      7.83102248    -12.75802040
  O     12.98415080     10.44344310    -11.38633746
  H     16.69653412      7.25511787    -10.69486893
  H     12.25290859      9.27342236    -12.58452231
  O     16.79869130      9.12014294    -17.40563200
  H     15.35295345      7.13066776    -11.44670835
  H     11.32935273      5.72568331    -11.21204375
  O     11.86856320      8.65945145    -13.22827962
  H     17.70052712      6.12424563    -12.78148909
  H     12.30638905      6.88316560    -10.89004197
  O     11.97176815      6.31037428    -11.60419255
  H     16.29286958      5.81672069    -13.33212505
  H     13.93463382      8.34078280    -16.64722411
  O     14.01215322      8.66112851    -17.56250024
  H     17.71054067     10.52508190    -16.88870129
  H     13.48343655      8.08044015    -18.10375352
          69
 Energy    -249.22608442719414     
  O     12.19407272     14.17638066    -10.87785909
  H     11.70114728     13.56101796    -10.32155052
  H     14.31185907     12.19295537    -12.84202215
  O     11.53905973      9.08337429    -17.37645119
  H     11.95278826     13.98303043    -11.79098396
  H     15.07545136      8.18230397    -12.48072954
  O     11.48106102     10.48360059    -11.30283709
  H     11.62607670      9.42354056    -18.26376511
  H     16.36314900      9.05747918    -12.65919183
  O     13.07390304      9.25789293    -15.09340629
  H     10.72487804      9.47304167    -17.01874306
  H     13.61215293      6.48228697    -13.70342894
  O     15.06659667     12.32015179     -9.14066546
  H     11.11840265     11.04279406    -10.60634999
  H     13.38776265      7.99408491    -13.93088533
  O     11.11380612     10.87433477    -13.96621982
  H     12.43073795     10.68337050    -11.35178593
  H     15.75896196     13.76357839    -12.79837252
  O     13.58587752      8.31822164     -8.39465253
  H     13.88373839      9.77656087    -15.22280421
  H     15.91103276     14.49550435    -11.46113811
  O     14.16995590     11.03077023    -11.46718333
  H     12.63673987      9.13481234    -15.94713160
  H     12.72694810      7.60489305    -11.59104864
  O     12.90498372     11.05563092     -7.95985349
  H     15.98893820     12.04764453     -9.05543138
  H     11.88598143      8.71942054    -10.93965599
  O     17.91215376     11.81009834    -11.83270181
  H     15.03851362     13.25548382     -9.37886652
  H     18.41739077      9.69816793    -14.07093315
  O     10.86189138     12.25077632     -9.23021330
  H     11.10421712     10.68736306    -13.01621583
  H     17.72677591     10.64642440    -13.06172763
  O     14.37606876     12.80849467    -13.58935481
  H     11.83572946     10.35336185    -14.34684057
  H     11.41086893     12.63221598    -13.80586061
  O     15.70794458      8.74681006    -12.02025842
  H     13.36546031      7.61004051     -7.79475609
  H     11.16556764     14.08357177    -14.27576519
  O     13.62454258      7.32791771    -13.26236808
  H     13.14405416      8.11410571     -9.23774473
  H     18.29870865     11.08019618     -8.41752836
  O     16.41997957     14.11194781    -12.18395740
  H     14.71496558     10.25078357    -11.63179384
  H     17.15790894     10.28186601     -9.09694731
  O     12.32121525      7.87454076    -10.75950286
  H     14.49845520     11.45982835    -10.66627100
  H     15.03079839     11.57816242    -14.78269317
  O     17.56623898      9.94339853    -13.71956835
  H     13.69720044     11.52445348     -8.25977942
  H     16.12834971     10.49729035    -14.82707114
  O     11.64455641     13.56007035    -13.63794594
  H     13.10251787     10.11575368     -8.04735047
  H      8.55298617      9.95361554    -15.74227535
  O     17.59656559     11.15223581     -9.05781722
  H     17.46417180     12.66150129    -11.94580012
  H      9.90029241     10.52024968    -15.26628716
  O     15.30844752     10.77750073    -15.25023172
  H     17.88219162     11.60336649    -10.89276592
  H     16.12767232      8.69711412    -10.24921273
  O      9.39784570     10.26626598    -16.05727001
  H     11.57074656     11.83065353     -8.70771894
  H     15.38115126      8.65974294     -8.90265506
  O     16.24225955      8.83771842     -9.29846704
  H     10.13679879     12.41047976     -8.63296335
  H     14.60770438     15.78499248     -9.64940342
  O     14.66761438     14.92544783    -10.05712625
  H     13.49982944     13.19208658    -13.69944702
  H     13.77380376     14.70311235    -10.37521049
          69
 Energy    -249.22588854990383     
  O      2.30504685     -5.48151963      2.17284760
  H      2.11230091     -4.75928314      1.55169146
  H     -4.50668272     -7.05072988      4.20814096
  O     -1.98225781     -7.18510608      2.15681620
  H      3.18999378     -5.33405442      2.49757722
  H     -4.45864929     -2.38805450      2.40879065
  O     -2.36024557     -2.89089975     -2.49825759
  H     -1.61803272     -7.83711557      1.54601461
  H     -3.35348902     -1.54964873      3.08697671
  O     -4.94555562     -2.10604309     -1.57578225
  H     -2.01307703     -6.33732147      1.68659424
  H     -1.24145976     -1.59815739      0.26128780
  O     -1.80247742     -1.91237201      4.08867596
  H     -1.58494754     -3.05756017     -3.04665244
  H     -2.30254125     -0.62390849     -0.31336309
  O      1.49546291     -7.30312912      0.13402618
  H     -2.06039748     -2.29562270     -1.79503425
  H      0.10637663     -8.33529111      0.25187263
  O      1.51331879     -3.61018161      0.32206250
  H     -4.71648106     -1.36833001     -0.99632705
  H     -0.52720437     -9.74547687      0.18389750
  O     -5.91825987     -4.40328185     -0.53669962
  H     -4.14770894     -2.30385472     -2.08219773
  H     -5.33588292     -4.34649402      1.24824835
  O     -2.35931463     -4.73020064      0.94890502
  H     -1.94927025     -2.83319690      4.37574168
  H     -4.81059625     -4.95145923      2.60628431
  O     -3.40183467     -5.28194277     -1.56367013
  H     -1.46905187     -1.43783954      4.84475634
  H     -1.25673543     -3.43940396      1.41085634
  O     -2.14105834     -4.48991851      4.72177218
  H      1.35613785     -6.66305392     -0.57624891
  H     -0.97523999     -2.35066759      2.48771670
  O     -4.14034592     -6.37343010      3.64522428
  H      1.83348512     -6.79897536      0.88354713
  H      0.78313528     -5.79851959      3.30389847
  O     -4.10787015     -1.49090568      2.48862399
  H      0.76709900     -3.24315706      0.82093062
  H     -0.57271654     -6.53546424      3.26011957
  O     -1.49661058     -1.10599742     -0.53296125
  H      1.15253627     -4.20173929     -0.35615257
  H      1.41798425     -2.13703127     -0.97614459
  O     -0.73845335     -8.82146097      0.28531255
  H     -6.78539984     -4.58631224     -0.88853700
  H      0.23024855     -1.21331472     -1.30965448
  O     -4.85492610     -4.15313687      2.06410436
  H     -5.64536268     -3.53876791     -0.89677561
  H      0.56183392     -4.69687534     -2.45066319
  O     -0.71216062     -2.66267101      1.61459376
  H     -3.17656597     -4.44670841      1.38196859
  H     -0.09194548     -5.95660720     -1.83895635
  O     -0.01274828     -5.97848127      3.81620519
  H     -2.59317792     -4.93904449      0.03553498
  H      0.63083244     -3.08477616     -4.48132676
  O      1.05430356     -1.57067360     -1.66809095
  H     -3.06148988     -4.47100364     -1.97199839
  H      0.58185886     -2.58720291     -3.01525486
  O      0.62075534     -5.31102764     -1.71062555
  H     -4.31108493     -5.11256605     -1.29266596
  H     -4.36712120      0.78466803      0.34181102
  O      0.21989702     -3.24522570     -3.63629133
  H     -1.33326912     -4.97569952      4.49057346
  H     -4.07561734     -0.56304981      1.04827443
  O     -4.02016463     -0.09107671      0.19674643
  H     -2.87613781     -5.06574847      4.49498027
  H     -2.20146903     -6.64206985     -1.86174573
  O     -1.38605372     -7.15016923     -1.97252679
  H     -3.41196650     -6.78581543      3.14966598
  H     -1.34263371     -7.78781194     -1.25130766
          69
 Energy    -249.22557607525181     
  O      4.65728416     -4.95472089     -0.72255456
  H      4.33203716     -5.69208421     -0.18727596
  H     -1.99988231     -6.32675751     -2.35922563
  O      2.79414491     -8.00219365     -3.43272053
  H      4.19711080     -4.17667502     -0.38727151
  H      2.63238434     -3.41244730      1.23624662
  O     -0.51104943     -8.55870772     -0.40336999
  H      1.95042280     -7.69755924     -3.79695745
  H      2.19515700     -4.01680496     -0.12792558
  O     -0.58554742     -3.00057921     -2.79246187
  H      3.37854409     -7.23607492     -3.42357784
  H      2.43049506     -4.87486292     -3.57287870
  O      4.18888846     -5.50423626     -3.34630562
  H      0.43696561     -8.66151767     -0.57336206
  H      1.07845242     -5.48106699     -4.03993757
  O     -2.63005898     -4.60599119     -2.06055607
  H     -0.91457279     -9.41402589     -0.59832822
  H      0.94114813     -6.67542261      2.69606430
  O      0.37821355     -7.08753303     -4.50773044
  H     -0.27609569     -2.55471883     -1.99470980
  H      1.80323172     -7.22630206      3.85620832
  O      0.17664419     -2.00447169     -0.20160481
  H      0.17056597     -3.48607134     -3.15012732
  H      1.67332435    -10.72876228     -1.43819616
  O      2.00267837    -10.56920058     -4.47319888
  H      4.40731935     -5.30606059     -2.41902497
  H      1.49373580    -11.29068807     -2.85624372
  O      2.19955753     -8.99245600     -0.90588805
  H      4.96212775     -5.28892536     -3.86146514
  H     -2.09134618     -8.78598200     -3.35543794
  O     -1.14383694     -4.49440488      0.31528613
  H     -3.47251589     -4.27135697     -2.35534873
  H     -1.91264520    -10.25982124     -2.96055841
  O     -1.56189474     -7.16020020     -2.56344658
  H     -1.94513148     -4.00762643     -2.41225707
  H      2.80309759     -6.84813217      1.54458272
  O      2.58047365     -3.22925273      0.28537464
  H      0.17679129     -7.81986331     -5.10270976
  H      2.43126109     -6.44718852      0.09736862
  O      1.47423212     -4.74310541     -3.55324389
  H     -0.30898841     -7.09488994     -3.82362064
  H     -0.43615321    -11.29210441     -1.57449164
  O      1.80445628     -6.59449973      3.14241946
  H      0.11041520     -1.11956364      0.14797512
  H     -1.72925382    -11.86796234     -0.94646365
  O      1.23432469    -11.43192795     -1.93438572
  H      1.08274126     -2.30791365     -0.02412896
  H      0.39727311     -5.23642249     -0.48473308
  O     -2.09306314     -9.68359993     -3.71372480
  H      1.24175270    -10.27707113     -4.98964412
  H      1.27338344     -5.25114283     -1.77987975
  O      3.11339472     -6.88627991      0.63316011
  H      2.46185193     -9.76278362     -4.20748048
  H     -0.72436978     -9.78245275     -6.58954928
  O     -1.36281428    -11.08565864     -1.34853499
  H      2.43246571     -8.67363678     -1.79017899
  H     -0.99545007     -9.64023733     -5.07246352
  O      1.27371009     -5.43923240     -0.83324029
  H      2.65728980     -8.41786062     -0.28033496
  H      3.10903465     -3.68412538      3.73460892
  O     -0.33248233     -9.49120258     -5.77092389
  H     -0.78157672     -3.59986744      0.28794143
  H      2.31927682     -4.83164266      3.08707814
  O      2.61322488     -3.91813124      2.95340512
  H     -1.79014396     -4.55017789     -0.40089290
  H     -0.84812025     -5.97597993      1.41931787
  O     -0.51300859     -6.80034386      1.79455954
  H     -1.20828874     -7.53885497     -1.74569046
  H     -0.57342422     -7.46276681      1.09290604
          69
 Energy    -249.22546016268905     
  O     -3.94598027     -5.73410703      2.87697891
  H     -3.06617630     -6.15409227      2.83764754
  H     -4.41710327     -7.92900152     -3.87743559
  O      2.14675480     -3.36224129     -2.65534184
  H     -4.14338822     -5.59677462      3.79893847
  H      3.78684713     -3.94237312      1.93212983
  O      1.04457451     -7.24664901     -0.10473116
  H      2.03325204     -2.81140321     -1.86049904
  H      3.13656399     -4.48243269      0.63447232
  O     -6.05792787     -8.24841590     -3.04185144
  H      2.72333256     -2.88187990     -3.24360556
  H     -3.09276122     -9.52023824     -0.86092201
  O     -1.42994717     -9.25153533     -3.59314987
  H      0.66133013     -8.00128332      0.35652338
  H     -1.86219056     -9.42397199     -1.82329286
  O     -2.84669451     -6.58122332     -0.83059622
  H      0.79686012     -6.47218779      0.42082268
  H     -4.41663456     -3.76040233     -0.80570945
  O     -0.47784406     -4.37003948     -2.77159255
  H     -6.24942474     -7.43958132     -2.53492606
  H     -5.20221463     -2.72917637     -1.64770538
  O     -6.46900043     -6.06612105     -1.47086242
  H     -6.87126075     -8.49933908     -3.47215348
  H     -4.87673822     -6.77048340      1.55607638
  O      3.12802184     -5.42396522     -0.84025638
  H     -1.21826003     -9.84596370     -4.30700418
  H     -4.35038998     -7.01555622      0.13274784
  O     -4.86383889     -9.55759266     -0.78055228
  H     -2.19725857     -8.72252433     -3.88153209
  H     -0.05959440     -4.43852805      0.92695688
  O     -0.53402054     -9.15940908      1.26670019
  H     -2.91535492     -6.23948791     -1.73098273
  H      1.27225088     -4.68235129      1.67735172
  O     -3.54023831     -7.71360000     -4.21851816
  H     -2.46520278     -7.46442623     -0.88394836
  H     -1.76018780     -3.44975758      0.08813536
  O      2.97806225     -3.93884162      1.42825318
  H      0.37873975     -3.94629373     -2.89985419
  H     -0.79162112     -3.68121424     -1.11098440
  O     -2.14377763     -9.32503365     -0.90519099
  H     -0.30099688     -5.32684213     -2.77679643
  H      0.73790674     -2.30841014     -0.19639108
  O     -4.90951425     -3.63718145     -1.63375868
  H     -6.16469816     -6.40169264     -0.61575084
  H      2.15097866     -2.54215592      0.37804302
  O     -5.10880087     -7.17956228      0.71541216
  H     -6.04628761     -5.20816196     -1.58524997
  H     -0.81842149     -6.16042346      2.35586525
  O      0.39652538     -5.05471904      1.51700753
  H      2.52634550     -6.17172440     -0.73517174
  H     -1.21700882     -7.64512662      2.24617540
  O     -0.86227693     -3.28971240     -0.22767520
  H      2.79392887     -4.89140501     -1.57185231
  H     -3.04124325     -5.07836726      0.09321220
  O      1.66727975     -2.06148837     -0.30513969
  H     -5.28558358     -9.24647642     -1.59126597
  H     -3.61137813     -4.55717406      1.42401461
  O     -1.48342543     -6.80484206      2.63524399
  H     -5.09170782     -8.90262706     -0.10717182
  H     -0.33406518     -7.79797768     -3.04908209
  O     -3.33448675     -4.26968414      0.54663190
  H     -0.37861087    -10.02056336      1.64571793
  H      0.40038353     -7.19245514     -1.81800731
  O      0.08145740     -6.99867799     -2.71009695
  H     -1.12895089     -9.29034167      0.50751858
  H     -2.22030346     -4.73535861     -3.19824018
  O     -3.10108098     -5.13421323     -3.24893945
  H     -3.40542082     -6.77218447     -4.04510138
  H     -3.72928417     -4.52443494     -2.84444682
          69
 Ord_Energy   -249.224762    
 O   -4.24488735      -3.07065582       3.14806676    
 H   -3.94269109      -3.72522807       2.49058437    
 H   -4.46479273      -3.55528998       3.93898344    
 O   0.274772108     -0.957366288      -2.39379740    
 H   0.741704524     -0.754222333      -1.57347465    
 H   -6.01659603E-02  -1.85703337      -2.27900386    
 O   -3.11922145       2.66266441      -1.76555669    
 H   -2.75451231       1.82880151      -2.09541798    
 H   -4.06852007       2.52499223      -1.67717862    
 O   -1.17956388      -3.22737551      -1.62285793    
 H  -0.922746539      -3.93022275      -1.01288915    
 H   -1.64250839      -2.57493138      -1.08449221    
 O   -1.28612244      0.897429287       3.59711146    
 H  -0.981358349      0.715072274       4.48181343    
 H   -1.59759188       5.40436096E-02   3.22498584    
 O    9.43620577E-02   1.56130576       1.20163810    
 H  -0.434475899       2.26733398      0.811220467    
 H  -0.291132838       1.38872445       2.06904507    
 O  -0.588152111      -4.94386911      0.509779513    
 H    1.68295391E-02  -5.66547680      0.656750321    
 H  -0.208004519      -4.15926981      0.946541786    
 O   -3.96853662      -1.03653193      -4.33783484    
 H   -4.74221945     -0.846400321      -3.77582002    
 H   -4.20802546     -0.797477245      -5.22918177    
 O   -5.85430050       1.96571231      -1.22296560    
 H   -6.54015112       2.57202435     -0.954918861    
 H   -5.52731609       1.53600669     -0.413264006    
 O   -6.23040009      -1.54253471       1.71896648    
 H   -5.79376984     -0.692501366       1.56736767    
 H   -5.61579227      -2.07222152       2.23944759    
 O   -4.75100088      0.674607456      0.910354495    
 H   -4.27067947       1.31538653       1.45665789    
 H   -4.10189772       8.22645277E-02  0.511868775    
 O   -2.93247223      -1.20852780     -0.246311650    
 H   -2.70766473     -0.690107167      -1.03303444    
 H   -3.55923533      -1.90729809     -0.488099456    
 O   -2.12985659      -1.40121055       2.39828300    
 H   -2.33382344      -1.29393709       1.45763278    
 H   -2.83365560      -1.94803882       2.76974416    
 O   -1.63907647       3.60535097      0.275031418    
 H   -2.16137576       3.29474497     -0.486307353    
 H   -1.39366114       4.50741243       8.86083022E-02
 O   -6.01390696     -0.460385144      -2.66994977    
 H   -6.44707680      -1.06099486      -2.05221128    
 H   -6.01403570      0.408830702      -2.25003338    
 O   -3.35907507      -4.70637178       1.21734726    
 H   -2.43808770      -4.87372732      0.988579392    
 H   -3.78676677      -4.35494852      0.422801554    
 O   -7.10711432      -2.26041126     -0.736824632    
 H   -6.86980963      -2.00678086      0.173721805    
 H   -7.97468328      -2.65352750     -0.697976291    
 O    1.47195137     -0.497754246      0.148592934    
 H   0.984987319      0.269368142      0.500239253    
 H    2.39926434     -0.282997102      0.213457376    
 O   -4.54068804      -3.36834860     -0.910590529    
 H   -4.24935198      -3.55733919      -1.81540596    
 H   -5.46875954      -3.11044240     -0.930109084    
 O   -3.37739134      -3.64587760      -3.35847735    
 H   -3.52996731      -2.80353999      -3.80512238    
 H   -2.51268625      -3.57698655      -2.93047166    
 O   0.278239608      -2.63709855       1.60565162    
 H   0.728545427      -1.94881558       1.10032022    
 H  -0.499394447      -2.22134614       1.99971390    
 O   -2.21241474      0.158069074      -2.52189875    
 H   -1.29151666     -0.137221456      -2.58489347    
 H   -2.71935773     -0.240599126      -3.24053836    
 O   -3.26685166       2.47483206       2.30985117    
 H   -2.63173389       2.02383947       2.87974811    
 H   -2.74113464       2.96124578       1.66122246    
          69
 Energy    -249.22439595299340     
  O     14.09282303      4.24292554    -10.83863287
  H     13.78923090      3.32920486    -10.79927683
  H     11.73709873      6.36352908    -15.16168446
  O     12.81081116      1.71432210    -10.43393193
  H     13.33946009      4.77863442    -10.54610100
  H      6.98887807      2.68749705    -11.37912543
  O     10.61364129      4.68871888    -12.24606088
  H     13.07496448      0.81716281    -10.62184254
  H      7.30762464      1.90397771    -10.09716307
  O     14.69544141      8.11554608     -8.67391183
  H     11.89155709      1.80238403    -10.73957771
  H      6.75070039      5.28647429     -8.86227440
  O     12.34481600      6.93479165     -7.56347418
  H     10.93465674      5.15199723    -13.02951065
  H      5.84738075      4.58482295     -9.88834365
  O     10.22942284      2.22206714    -11.18558128
  H     11.03731075      5.11133578    -11.48247587
  H     11.92066797      6.12285074     -9.25767465
  O      9.60853358      3.46736730     -8.70862171
  H     15.04020157      7.20374993     -8.70691489
  H     12.36913994      6.70230745    -10.60901658
  O     14.00194493      6.23473794    -12.92578041
  H     15.37696904      8.65575004     -8.28382208
  H     12.51176737      2.43752282     -8.68285984
  O     10.88823017      9.57970859    -10.74535684
  H     12.71566361      6.18262250     -7.08509994
  H     11.28911086      3.12451370     -8.04124231
  O      8.21728305      6.01238268    -11.94598328
  H     13.10224570      7.45356289     -7.86540884
  H     15.11030931      5.00340179     -9.44745460
  O      7.09413096      2.30894286     -8.20986912
  H     10.36299059      3.03812465    -11.69215308
  H     14.92267410      5.15178319     -7.92007370
  O     11.62657756      6.38796958    -14.21495080
  H      9.28920932      1.99669732    -11.23931836
  H      6.78209153      4.98120151    -11.90629695
  O      7.50481983      1.94535116    -11.04111540
  H      9.82073990      3.07096472     -9.56483528
  H      5.42964727      4.49226660    -12.47172918
  O      6.00204837      4.67950266     -8.93975688
  H      8.80597137      3.02600145     -8.40055751
  H     13.82516399      8.31180585    -10.28688879
  O     11.96891393      5.92261828    -10.19872935
  H     14.17986066      5.48635034    -12.34317989
  H     12.53299033      8.80871205    -11.01287236
  O     12.21798453      2.90240604     -7.89143095
  H     13.91881389      7.01224126    -12.35490899
  H     13.17114265      3.99258905     -7.00079847
  O     15.40011068      5.51195829     -8.67867293
  H     10.65136443     10.49928186    -10.65773887
  H     13.88117875      4.34863725     -5.67203518
  O      6.06640100      4.33494502    -11.77926405
  H     10.56155787      9.12950326     -9.94507442
  H     10.79644756      7.88595656     -8.02861339
  O     13.29889719      8.22435090    -11.09323255
  H      8.53064102      6.86093625    -12.28960583
  H      9.44038690      7.54572856     -8.67782411
  O     13.69348812      4.67905822     -6.54594807
  H      8.96723861      5.41197206    -12.06346454
  H     10.37448855      7.66025837    -13.37281039
  O     10.06530332      8.26881507     -8.53011883
  H      6.61753774      3.13991123     -8.38861180
  H     10.09597839      8.64749544    -12.21364225
  O      9.67077871      8.12558132    -12.90472205
  H      6.61962135      1.86087631     -7.51561469
  H      8.39509186      6.09967895    -10.09685739
  O      8.48894951      6.03176279     -9.13673406
  H     12.51888160      6.33854063    -13.82780064
  H      8.96045570      5.20616775     -8.95920414
          69
 Energy    -249.22431259313385     
  O     19.89661591     10.79243661    -11.65389191
  H     20.59761798     11.02151844    -12.27424362
  H     19.22283579     11.05087763    -15.57777276
  O     14.54048586     14.85685787    -12.51270799
  H     19.45214638     11.62580059    -11.44507248
  H     19.85947206     14.86399984    -14.24765013
  O     20.65830683     14.39188237    -12.69870632
  H     13.98167222     15.62473765    -12.42883016
  H     18.41049851     14.87617230    -14.80610645
  O     17.25617456     11.66177519    -17.82028710
  H     14.08243089     14.24249026    -13.11927369
  H     13.83255082      9.88984161    -14.14751205
  O     20.46195275     12.41650357    -15.84214025
  H     21.19374939     13.60477031    -12.85023272
  H     14.15245341     10.52302089    -12.78085740
  O     15.60768786     10.77556599    -11.67454178
  H     19.89923952     14.09010275    -12.18014844
  H     18.04873781     12.78411869    -12.36576101
  O     17.13412909      8.48062272    -14.20068840
  H     18.09988020     11.86871483    -18.23888381
  H     17.63445398     13.35274534    -11.00472222
  O     21.81316574     11.83892749    -13.50833653
  H     16.86285924     12.51183103    -17.57168661
  H     12.71897431     13.14175473    -17.64246043
  O     19.82341780     12.64820205    -18.59519464
  H     20.04964425     13.24784212    -15.56135415
  H     13.82963717     12.16626625    -17.18686388
  O     13.36127223     13.18492257    -14.21575181
  H     20.41343481     12.40390937    -16.80556336
  H     18.61602821      9.63174200    -11.55136086
  O     15.77183180     13.38819233    -10.48947117
  H     15.68637060     11.56969911    -11.13254444
  H     18.05456256      8.37404969    -10.84922310
  O     18.42131526     10.51365977    -15.58895014
  H     16.34322101     10.18422983    -11.46656405
  H     15.15573906     13.88556184    -17.21734056
  O     19.34147358     14.85332098    -15.06573378
  H     17.37794015      8.59907142    -13.27621941
  H     16.22735223     14.35844638    -16.21023463
  O     13.51404798     10.53621810    -13.50686315
  H     17.70525560      9.07180871    -14.71132434
  H     16.73696687     13.66360323    -14.26163455
  O     18.40660699     13.15396116    -11.54378827
  H     22.73542825     11.64451054    -13.65756303
  H     15.97124240     14.92192753    -13.82561602
  O     13.48453755     13.07163732    -17.07864063
  H     21.41811029     11.99316500    -14.38210203
  H     14.33790383      7.80808773    -15.49198494
  O     17.83120650      9.06062214    -11.47224843
  H     20.28935444     12.70756267    -19.42447444
  H     15.55370148      8.57262094    -14.92405255
  O     16.08769904     14.12445632    -17.13913607
  H     19.46798172     13.53684677    -18.40570145
  H     17.50641582     11.45018426    -14.33699264
  O     16.62378594     14.60861727    -14.45870846
  H     13.36770679     13.20915166    -15.17808091
  H     16.45801358     11.52746047    -13.17920942
  O     14.68528478      8.68490972    -15.34831417
  H     13.34302077     12.24816936    -13.96726132
  H     19.02679980     15.12094553    -16.91096057
  O     17.06535397     12.04607951    -13.72009162
  H     15.39140737     13.66041277     -9.65771878
  H     17.75710324     14.84018577    -17.73701951
  O     18.70986669     14.98214011    -17.81424286
  H     15.33493539     13.91317510    -11.18007175
  H     14.66811166      9.96394733    -16.71431825
  O     14.64428549     10.65166272    -17.39113619
  H     17.93248570     10.79677711    -16.37514888
  H     15.55830059     10.82416596    -17.64990652
          69
 Energy    -249.22421812108718     
  O     -2.39398878      1.45627099      3.23541171
  H     -2.30142351      1.58768715      4.19127148
  H     -5.12461652     -0.17731537      5.71464676
  O     -0.18098922      3.72646389      4.82187227
  H     -2.94413022      0.67457891      3.09655273
  H     -2.90608621     -1.89675318      8.99424102
  O      0.86015543     -1.48889571      1.18565382
  H     -0.46750897      3.88459069      3.91531755
  H     -3.06591135     -1.98833700      7.45897021
  O      3.32757549     -1.10898046      2.57212380
  H      0.60570312      3.16673406      4.74690684
  H     -0.26933037     -1.00584690      6.33024072
  O     -0.43437735      0.22525747     -0.64666344
  H      0.60332014     -0.93874884      1.94349286
  H     -1.13629888     -0.67494650      7.56310648
  O     -3.75683062     -0.91832493      2.94278943
  H      0.60133502     -0.97820444      0.40915234
  H     -3.26337326     -3.06053816      5.31991818
  O     -2.52851592     -1.18320965      0.39914126
  H      2.60824619     -1.39572809      1.99621891
  H     -4.49528863     -2.23715106      5.74179345
  O     -1.15978614      3.61243131      2.09318431
  H      3.42743110     -0.16579232      2.39720894
  H      2.69721088      0.52567734      7.64875401
  O      1.83894073      1.84043017      4.49225546
  H     -1.23733834     -0.18791488     -0.28288162
  H      1.35597094      0.12435652      6.99843631
  O      3.29776075      1.72917508      2.12080888
  H     -0.55518952      0.26379075     -1.59208121
  H     -3.77269840      0.04226340      7.48422778
  O     -2.16407962     -3.07098969      3.78945511
  H     -3.19807081     -1.64616936      3.25172338
  H     -3.47186377      1.24749026      6.58165637
  O     -5.56224924     -0.76782391      5.07478780
  H     -4.48585682     -0.84948406      3.57213342
  H     -0.80798941      0.54491306      3.19271236
  O     -2.72725509     -1.43001600      8.18226255
  H     -2.13622513     -2.04926147      0.56678530
  H      0.66210898      0.70702977      3.67592460
  O     -0.40636466     -0.34368513      7.02545143
  H     -3.09319833     -1.00817340      1.16192965
  H     -0.71622303     -4.29387959      0.80462337
  O     -3.79097831     -2.80014115      6.08582661
  H     -1.68109083      2.86083437      2.42461847
  H     -0.28085047     -2.87795104      1.24519337
  O      2.28841905      0.32228909      6.81081153
  H     -1.78108376      4.22758983      1.71106018
  H      3.08297715     -1.74329911      4.27583091
  O     -4.19255251      0.68895336      6.90401292
  H      2.50644557      1.82811849      3.79425233
  H      2.83045477     -1.27337170      5.73032429
  O      0.03276342      0.08342559      3.29027110
  H      2.16261603      1.35091562      5.25861229
  H      0.50623067      1.59670755      0.28106545
  O     -1.02989012     -3.49765404      1.22599820
  H      2.49061114      1.92065703      1.60939838
  H      0.30670512      2.79549718      1.22574752
  O      2.80368324     -2.04455758      5.15404225
  H      3.99729697      2.24798978      1.73296669
  H     -1.28766656      2.59432960      5.67313724
  O      0.98371683      2.25948075      0.79415395
  H     -1.36568262     -2.81057531      4.27521555
  H     -1.28644693      1.15308760      6.27954438
  O     -1.85306849      1.84670504      5.91834811
  H     -1.85771330     -3.37938922      2.92889281
  H      1.03365998     -2.26669542      5.04393925
  O      0.08993380     -2.07291590      4.94758001
  H     -6.50128548     -0.65040606      5.18852535
  H      0.03376725     -1.31749780      4.34093777
          69
 Energy    -249.22413984053787     
  O     14.42076529      9.61409077    -10.58118238
  H     14.31761501     10.26663423    -11.28840987
  H     13.11482236      8.39042200    -10.18979047
  O     13.19451520     10.93934038    -16.24861694
  H     15.17704636      9.86725442    -10.03970219
  H     18.34786103      6.83545771    -13.87759294
  O     16.93588347     10.87187286    -13.52889173
  H     13.23230196     11.76328187    -15.74698193
  H     17.93132611      7.44200011    -15.22577472
  O     13.76261072      4.86171072    -13.15029488
  H     12.86508668     10.27116599    -15.63475371
  H     14.70197658     13.20077023    -14.93711317
  O     16.58068204      7.46270555     -8.41539400
  H     17.47521910     10.71398071    -12.74587767
  H     13.52003804     14.14580944    -14.60406081
  O     16.31617270     12.80266787    -15.49575267
  H     16.00829541     10.87248473    -13.25427620
  H     12.26265828      8.39413842    -13.64382236
  O     15.60713830      7.57654915    -12.12336569
  H     14.24557480      4.75772206    -12.31782961
  H     13.50068638      8.56171326    -14.52923260
  O     14.19227244     11.04750236    -12.89265385
  H     14.43438364      4.81433037    -13.83929697
  H     15.55909169     10.83607734    -18.38079491
  O     18.35938696      7.55037765    -12.13951250
  H     15.73251423      7.01260561     -8.33124848
  H     14.75160038     10.78150924    -17.06330984
  O     18.48492059     10.28274708    -11.23173661
  H     17.16607004      6.84907219     -8.88289111
  H     11.00357265      6.33935919    -12.82170982
  O     15.86587612      5.06303306    -15.12418307
  H     16.20632148     12.22105981    -16.25864054
  H     12.52423261      6.09782746    -12.90302152
  O     12.56539162      7.60446821    -10.06071968
  H     16.69924268     12.24917362    -14.80143571
  H     13.59028114      5.62797815     -7.79129374
  O     18.09411558      6.60086096    -14.78015769
  H     15.15451471      8.25802211    -11.61198403
  H     13.48658220      6.58542115     -9.00377071
  O     13.78551067     13.23065053    -14.60752336
  H     15.29376569      7.61431369    -13.03482267
  H     14.89290005      5.26813663    -10.01347015
  O     12.74236667      9.04804312    -14.16382702
  H     13.65019813     10.36048569    -13.30942206
  H     15.42346682      5.96394597    -11.28704579
  O     15.65237783     10.79075833    -17.43290110
  H     13.98887077     11.87479828    -13.34491805
  H     18.31283999      6.23509183    -10.74517200
  O     11.84768388      6.77056045    -12.70976895
  H     17.38817643      7.54771596    -12.13068883
  H     17.20100533      5.25490275    -10.32833640
  O     14.10149857      6.03702769     -8.48389774
  H     18.60966063      8.43718272    -11.86276003
  H     15.68855094      8.18307366    -15.20634865
  O     15.32421892      5.09788831    -10.86023494
  H     17.91373863     10.20479983    -10.45092578
  H     15.11465666      6.74612508    -15.07801696
  O     18.00306888      5.68962755    -10.01074377
  H     19.27790391     10.73269662    -10.94871456
  H     16.73687783      9.08948514     -8.80009815
  O     14.93005221      7.67418192    -14.88922544
  H     16.71355305      5.51745474    -14.96844893
  H     16.76122837     10.53828843     -8.25136895
  O     16.77754968     10.03097552     -9.05841120
  H     16.03086659      4.40930525    -15.79850226
  H     16.72613833      9.65593834    -16.40349056
  O     17.13064434      9.13893504    -15.69510222
  H     12.28428720      7.32234461    -10.93897177
  H     17.17102932      9.71970358    -14.92083103
          69
 Ord_Energy   -249.223831    
 O    4.92384577       11.1821690      -11.4324217    
 H    5.58839321       10.8445959      -12.0442123    
 H    4.07148981       10.9102983      -11.8118811    
 O    4.24035549       8.28071690      -14.0340815    
 H    3.73949051       7.56478977      -13.6141624    
 H    3.92041278       8.39795303      -14.9373388    
 O  -0.281931400       12.7840538      -12.2851171    
 H   0.354903877       13.3508940      -11.8349972    
 H  -0.639146686       12.1964664      -11.6068010    
 O    1.67607760       14.2797337      -10.7746162    
 H    1.61575830       15.2164240      -10.6083899    
 H    2.50809741       14.1334820      -11.2593880    
 O    3.48095465       10.0807476      -9.31819630    
 H    4.16968775       10.4251347      -9.89964390    
 H    2.79105163       10.7595015      -9.28533077    
 O   0.943179131       11.4279251      -6.52241611    
 H   0.816922247       12.2008667      -5.97842121    
 H    1.15031254       11.7452631      -7.41795444    
 O    4.92116404       11.2543182      -15.7687750    
 H    5.51460505       10.9837551      -15.0589724    
 H    4.25533152       11.8310757      -15.3665771    
 O    2.69898629       10.2953444      -12.7903481    
 H    3.15611792       9.55980206      -13.2191334    
 H    1.84221172       9.96980381      -12.4917870    
 O    2.69102049       9.19279003      -6.75693607    
 H    2.16122484       9.95708942      -6.49616909    
 H    3.16053104       9.46464157      -7.55767488    
 O   0.367964983       9.05172443      -11.8385782    
 H   0.929084420       8.55591965      -11.2232828    
 H   0.138202921       8.45560360      -12.5612650    
 O    1.45154572       12.0151625      -9.16492367    
 H    1.59693336       12.8452539      -9.63468075    
 H   0.658694744       11.6136360      -9.55077934    
 O   0.718665123       9.44276810      -15.5730600    
 H   0.508406818       10.3580809      -15.3529987    
 H    1.60176718       9.43589211      -15.9619856    
 O    2.58966851       6.56395245      -12.7427359    
 H    2.49124527       6.84387589      -11.8230314    
 H    1.73150826       6.69550943      -13.1652365    
 O    6.51684701E-02   12.1669636      -14.9068851    
 H  -0.615014195       12.6246777      -15.3941374    
 H   -9.40082893E-02   12.3599539      -13.9652462    
 O    2.14608192       7.76071739      -10.1829243    
 H    2.69622803       8.51919746      -9.94057655    
 H    1.70096993       7.47561979      -9.37483215    
 O    3.91576147       13.7350683      -12.1627579    
 H    4.41669989       12.9813499      -11.8261385    
 H    3.59151483       13.4688482      -13.0343895    
 O   0.928771675       7.34527874      -7.68554974    
 H    1.58281171       7.93792439      -7.27210379    
 H   0.841834724       6.58792353      -7.11279821    
 O    2.81955147       12.4996395      -14.4307985    
 H    1.92202699       12.5936356      -14.7674971    
 H    2.77651000       11.7296124      -13.8402443    
 O    3.37874937       9.17462826      -16.5683193    
 H    3.94247627       9.94505501      -16.3744011    
 H    3.58500171       8.89844322      -17.4573479    
 O  -0.888686955       9.60200977      -7.81878853    
 H  -0.396780014       8.77226830      -7.81185675    
 H  -0.397877961       10.1956234      -7.23761988    
 O   0.117344618       7.33213806      -14.0114279    
 H   0.309505939       8.06562042      -14.6243086    
 H  -0.592035472       6.82680225      -14.3983793    
 O  -0.839937747       10.9018574      -10.2575855    
 H  -0.501961291       10.2237606      -10.8634310    
 H   -1.04110146       10.4503078      -9.42541027    
 O    6.34595871       9.97511196      -13.5737810    
 H    7.19423866       9.54466057      -13.6467028    
 H    5.67136574       9.28514099      -13.7017632    
          69
 Energy    -249.22365892787002     
  O     -3.54762539     -1.96597107      6.95985809
  H     -2.62420894     -1.95429613      6.67448627
  H      2.20066881     -0.86201828      3.11919951
  O      1.14641669      0.63094194      2.34795951
  H     -4.02067469     -1.33616921      6.39981026
  H      0.12667519     -2.85568271      1.65497647
  O     -3.49611826      0.41739581      3.12893282
  H      0.39166556      0.27595234      2.85054080
  H     -1.04352007     -2.14463535      0.89263475
  O      1.70318449     -3.04069861      5.65367727
  H      1.34568197      1.48390037      2.72692541
  H     -1.99872082     -3.77589094      1.96444294
  O     -4.47159703     -4.40735805      6.24471736
  H     -3.68577603      0.05301361      2.25181809
  H     -3.49848161     -4.16202518      1.78825960
  O     -1.01253890     -2.33236845      5.78025237
  H     -2.58234627      0.17762339      3.32564377
  H      1.98885826     -3.22002200      0.52245496
  O      0.58172485     -5.37332736      4.38447668
  H      2.41101361     -3.06595180      6.29201137
  H      1.77885203     -4.40346932      1.53453232
  O     -5.65034937     -2.94182089      4.08201347
  H      2.02858538     -2.52454853      4.89483245
  H     -5.33907257     -3.18755547      2.40744978
  O      1.29550224     -6.15083827      1.90254747
  H     -4.87532801     -4.88015981      6.96700977
  H     -5.88775199     -3.67961896      1.04744767
  O     -0.57762727     -3.82530142     -1.88548127
  H     -4.16945435     -3.55111405      6.60052386
  H      1.61352432     -1.64880988     -0.96385842
  O     -0.87564730     -5.60956136      0.13151977
  H     -1.40731736     -3.12125847      5.37961526
  H      1.09321282     -3.00302646     -1.49879154
  O      2.54498339     -1.69312226      3.45889392
  H     -0.07187984     -2.52537676      5.87933124
  H     -0.95021666     -1.04328072      4.48460936
  O     -0.77039474     -2.50829518      1.74525249
  H     -0.36108653     -5.26477022      4.56843378
  H     -0.92023926     -1.26688996      2.96244142
  O     -2.63033689     -4.50984766      2.02812119
  H      1.02584794     -4.64109730      4.82705832
  H      0.98293551      0.23870430      0.55266787
  O      1.85528260     -3.44538963      1.45453427
  H     -5.52108419     -2.04718794      4.42253469
  H      1.12612642      0.85568113     -0.85276100
  O     -5.10438118     -3.34303439      1.47410565
  H     -5.33567692     -3.53532792      4.77343642
  H     -1.26290456     -2.23591318     -1.23043487
  O      1.87189919     -2.56304829     -1.13301697
  H      1.83154230     -6.93677437      1.96204970
  H     -0.75612407     -0.84926583     -0.72557862
  O     -0.91097677     -0.57363303      3.64221443
  H      1.02731455     -5.92431682      2.81222292
  H     -4.50788177     -0.05349814      4.41941751
  O      0.87049057      0.05836209     -0.39350178
  H     -0.78215548     -4.26746983     -2.70500804
  H     -5.67397295      0.31525600      5.36569944
  O     -1.51104309     -1.45197460     -0.72109203
  H     -0.68130238     -4.48726465     -1.17813070
  H     -2.36834506     -4.69877001      3.80539355
  O     -5.06053060     -0.38222877      5.15199957
  H     -0.13218981     -5.88911752      0.67900259
  H     -2.92544122     -4.74844714      5.25837374
  O     -2.11389115     -4.70017590      4.73936251
  H     -1.57871617     -5.36948190      0.75008470
  H     -4.32408079     -1.70124800      0.89142945
  O     -3.90685488     -0.85121714      0.70577402
  H      2.41484593     -2.33842454      2.74699119
  H     -3.16441694     -1.03051065      0.11655936
          69
 Energy    -249.22326434105111     
  O     19.60511123     10.38366355     -8.96568866
  H     20.00313386      9.76355316     -9.60009885
  H     19.59574501      9.06438136     -7.52673250
  O     17.93882657      5.70810633     -9.73428512
  H     20.21697623     11.11012153     -8.87196514
  H     17.80230111     10.44519667     -9.53365886
  O     17.37866596      4.97147761    -13.10305576
  H     17.19870623      5.17044234    -10.04150182
  H     16.35826702      9.86001794     -9.37286729
  O     16.51282423      7.53667389    -13.80265347
  H     17.89148397      6.52402174    -10.25709703
  H     14.89166207      9.71712823    -12.84394975
  O     20.33198027      8.12997419    -13.59013623
  H     17.01450474      5.78668459    -13.47519099
  H     13.48212702      9.36990119    -13.38740162
  O     15.61983731      4.67989588    -10.85119453
  H     16.77418410      4.70915071    -12.39877980
  H     20.44970844      4.64696842    -13.65035409
  O     18.24183120      9.65424868    -14.42619290
  H     17.07092257      8.23010796    -14.18001460
  H     19.11685109      5.15343921    -13.06048021
  O     21.62748728      6.61066880     -7.87476373
  H     15.64687248      7.93196867    -13.64294249
  H     12.86792923      5.15022430     -9.02386786
  O     14.96018831      5.50686873     -6.65947635
  H     20.25244983      7.16912117    -13.53907929
  H     12.99849771      6.42532847     -9.86907053
  O     20.39979622      8.49419756    -10.79876709
  H     20.58341115      8.40547777    -12.69953800
  H     14.57728838      8.44767059     -8.00031769
  O     17.74785645      7.98420793    -11.26702353
  H     15.21393856      5.55715512    -10.91861560
  H     16.06724857      8.03497455     -8.09152014
  O     19.57473364      8.29939125     -6.94217304
  H     15.13799773      4.22105617    -10.15181429
  H     14.28662628      7.83432152    -11.51436243
  O     16.95430551     10.32334540     -9.97954321
  H     19.02299833      9.14301070    -14.15020908
  H     14.80430466      7.70288621    -10.05024205
  O     14.24882943      8.99457538    -12.96332937
  H     18.48192919     10.09923969    -15.23502639
  H     18.04349245      7.40640278     -7.06606302
  O     20.07689032      5.31604051    -13.08141616
  H     21.38245482      6.17399090     -8.70449720
  H     17.53311999      6.40235827     -8.13013954
  O     12.45076626      6.00424521     -9.19151599
  H     22.26411363      6.03582530     -7.45604200
  H     12.74990165      7.09648118     -7.84193717
  O     15.38465413      8.58022027     -8.51193408
  H     15.82399480      5.93093652     -6.76033954
  H     12.34326031      7.98666387     -6.64239776
  O     14.41658103      7.21303607    -10.78862741
  H     14.31924229      6.22677855     -6.63654969
  H     16.51136317     10.80785430    -11.71345309
  O     17.26174342      6.91501953     -7.35562550
  H     19.47456761      8.34925602    -11.05892829
  H     17.00188565     10.52983475    -13.16420092
  O     13.09538757      7.67118293     -7.13551636
  H     20.71128940      7.62658244    -10.51504491
  H     19.72326598      5.58267266    -10.00075000
  O     16.23746050     10.79931752    -12.64135043
  H     17.30529378      7.81125141    -12.10502258
  H     20.60874086      5.50356186    -11.25226618
  O     20.63644129      5.69612876    -10.30761821
  H     17.37082589      8.78555889    -10.88149421
  H     13.98532841      2.92153451     -8.21783425
  O     14.17278150      3.77446127     -8.60029352
  H     20.31997650      7.73931945     -7.20230728
  H     14.49981089      4.33911964     -7.87655489
          69
 Energy    -249.22279868962670     
  O     17.88055786      8.61798432    -10.56379597
  H     17.10735727      9.18597870    -10.68014230
  H     18.52784207      8.87878924     -8.91165669
  O     14.17970538      8.61969308     -9.38241310
  H     17.58208191      7.70974711    -10.42573481
  H     19.67262976     10.25404224    -12.44372611
  O     19.95947902      3.35305770    -12.35613836
  H     13.43364433      8.76501862     -8.80625190
  H     18.93449305      9.04175127    -11.84708747
  O     21.32107991      7.37430211    -11.96743897
  H     14.87583701      8.21346027     -8.83698589
  H     20.83714060      4.67538630    -13.46520581
  O     18.91884600      6.00823908    -15.55663117
  H     20.10152858      2.41067233    -12.33747723
  H     21.28014835      6.14703794    -13.34160824
  O     22.72179625      8.22556746     -9.67256268
  H     19.13787809      3.50415108    -12.85756140
  H     18.08622898      4.55751268    -14.54913983
  O     16.21725436      7.47042262     -7.98089035
  H     21.90581844      7.70173278    -11.27327171
  H     17.10056365      4.49565015    -13.37404111
  O     20.83185659      6.94369398     -8.23126648
  H     20.75177543      8.10700409    -12.23996799
  H     15.09066110      9.83345943    -10.42439401
  O     17.26221700      5.95001875    -10.04810981
  H     19.72972834      5.85103146    -15.03908643
  H     15.49508824     10.09128539    -11.91145198
  O     17.85426713     11.40819189     -7.38569754
  H     19.15769324      5.91703659    -16.47514996
  H     16.02013914      8.88738523    -13.85393521
  O     17.53088512     12.20087244     -9.98611460
  H     22.11599446      7.73560947     -9.08559660
  H     14.89104294      9.78839770    -14.40153827
  O     18.83769874      8.95464459     -7.99569832
  H     23.60442121      8.08014373     -9.34362776
  H     20.31803513     10.04034427     -8.81412117
  O     19.45326234      9.33147346    -12.61778613
  H     16.52660916      6.77801997     -8.58469769
  H     21.66003041      9.77106879     -9.51468561
  O     21.05307571      5.46010461    -13.98340655
  H     17.00667044      7.95087029     -7.71486258
  H     13.95237452      7.70955533    -11.07468889
  O     17.77560842      3.98266029    -13.83966272
  H     20.11666100      7.55521424     -8.01091995
  H     14.20795065      8.07550686    -12.55241519
  O     15.71341427     10.30453804    -10.99537708
  H     20.47050969      6.29344205     -8.84758885
  H     17.96904835      7.32385801    -14.67932057
  O     15.21571204      9.37275179    -13.60649942
  H     18.18886749      5.68685464    -10.13771302
  H     18.23354437      8.45808578    -13.65119412
  O     20.96698561     10.43400017     -9.40675897
  H     16.83744219      5.79575904    -10.90317969
  H     20.52304786     12.60970507    -11.66204512
  O     13.95047724      7.34995720    -11.97015748
  H     17.72576648     11.76369763     -8.28185055
  H     20.37143443     11.38443916    -10.72861182
  O     17.53448247      7.94165677    -14.07702668
  H     17.83961245     12.15762070     -6.79726223
  H     15.31907351      6.26449318    -12.38510352
  O     19.97600736     11.84776333    -11.49044322
  H     16.84240909     11.65141857    -10.38400822
  H     16.68401994      6.59285641    -13.04726826
  O     16.19350483      5.90029891    -12.58554627
  H     18.30175485     12.13567711    -10.56113453
  H     20.36772756      6.11981639    -10.99105988
  O     19.93865081      5.42872947    -10.46707599
  H     18.49333713      9.79247222     -7.64835958
  H     19.97761939      4.62500589    -11.00065443
          69
 Energy    -249.22250527867809     
  O     15.71992970     10.18711767    -15.48412004
  H     15.14543608      9.60330165    -15.97151865
  H     17.64126860     12.58720108    -16.20391030
  O     21.53678528      9.32957450    -14.90706808
  H     16.02306435      9.69163043    -14.70077912
  H     18.00076169     10.30452821     -8.18804642
  O     19.24823506     13.21724459     -9.79190202
  H     22.36577242      8.87197419    -15.02614961
  H     18.85298992     10.26944181     -9.47787322
  O     15.05566901     12.97542602    -11.81839576
  H     21.71888332     10.08222982    -14.31611825
  H     20.43995604     16.47718298    -11.60552617
  O     20.18816911      9.61546266    -10.37513093
  H     18.71875656     13.39002178    -10.58510597
  H     20.31043537     17.85503124    -12.29635893
  O     16.13606767     10.42148247    -11.07364907
  H     18.84225862     12.45138705     -9.36771895
  H     20.82371005     12.47373866    -10.36846313
  O     20.72573667     11.59983082    -16.59449611
  H     14.96239191     12.89773728    -12.78539023
  H     22.31898114     12.78288565    -10.61354835
  O     21.30538648     13.77101293    -14.97548452
  H     14.26358053     13.39562899    -11.49567257
  H     17.50415168      8.58366749    -13.22279577
  O     20.74164112     15.58237693    -10.13829104
  H     20.85163202     10.30531371    -10.49428613
  H     16.38753141      9.36632741    -12.49787068
  O     21.71377315     11.56641621    -13.36462580
  H     19.99204493      9.25095530    -11.24802137
  H     22.00992512     16.04659873    -13.01819945
  O     15.03348857     12.77075210    -14.50718581
  H     16.76986228     10.56177056    -10.36092243
  H     22.39130280     14.86080695    -13.91689688
  O     17.96613029     11.67742976    -16.19428002
  H     15.71451912     11.27232116    -11.23992102
  H     19.39313882     15.80538581    -13.57956821
  O     18.13496672     10.74623183     -9.02257913
  H     21.00435881     10.76475178    -16.20258910
  H     18.52507330     14.55610301    -13.30454360
  O     20.37891632     16.92033852    -12.47143917
  H     19.75950022     11.56376480    -16.62452557
  H     23.15837105     14.71265214    -11.64937403
  O     21.65471299     12.08477130    -10.67706730
  H     20.45714969     14.16065234    -14.72739175
  H     24.16694145     14.59475478    -10.48175419
  O     16.59092376      8.87732002    -13.31062613
  H     21.14064540     13.10376426    -15.65893779
  H     20.09489743      8.76938115    -13.68205245
  O     22.71558302     15.41151071    -13.19206574
  H     21.63644159     15.22456279    -10.19139209
  H     19.06245321      9.75192158    -13.11394463
  O     18.93925431     15.07249730    -14.01358349
  H     20.17700968     14.84478017     -9.87267134
  H     19.85986944     11.58617729    -13.53079434
  O     23.27856360     14.37077854    -10.74511957
  H     21.74922331     11.76112055    -12.41880006
  H     18.61367390     11.55605579    -14.47129326
  O     19.41334377      8.85343065    -13.00586115
  H     21.71803325     12.39943180    -13.85594505
  H     16.91145089     15.00248436    -16.52784997
  O     18.89541188     11.52619850    -13.54785783
  H     15.19090966     11.87977641    -14.84567821
  H     17.71734824     14.67336325    -15.25103776
  O     17.05628079     14.32477645    -15.87192116
  H     15.64509268     13.35352962    -14.97171731
  H     16.82663765     13.40649192    -11.93993591
  O     17.77475258     13.50673517    -12.08609651
  H     17.20149816     11.09960119    -16.06860355
  H     18.08961029     12.70829726    -12.54155227
          69
 Energy    -249.22243778865200     
  O     18.92017878      9.28116922    -11.19670761
  H     19.30168401      8.45471513    -11.51832866
  H     15.90544350     11.41418114     -7.57462566
  O     13.78791787      7.26552249     -8.27986658
  H     18.32567728      9.04529575    -10.46886976
  H     17.85339001      5.58070739    -14.22056947
  O     19.61717308     10.98887457     -9.07831530
  H     13.14829882      6.56046379     -8.22267994
  H     17.09437514      5.19221710    -12.93426487
  O     13.31828958     10.08041966     -8.72923973
  H     14.24492806      7.16337848     -9.13210096
  H     15.89189630      7.89105504    -10.13409206
  O     17.08956702     10.31507621    -12.96202597
  H     19.87055020     10.28694437     -8.46547179
  H     15.00421131      7.70588006    -11.38905280
  O     19.72769983      6.76027035    -11.98314209
  H     19.58337759     10.55474939     -9.94175191
  H     18.79987679      7.41520226    -14.94046473
  O     20.66791526      6.61823524     -9.33983377
  H     13.89228072     10.48425233     -8.06803758
  H     19.94173000      6.53971220    -15.51051612
  O     17.38550064      5.50131325    -11.08938147
  H     13.35328863      9.13188163     -8.56196449
  H     18.90772601      7.59286188     -6.91564202
  O     13.84131165     10.94580395    -11.31336441
  H     17.78485101      9.96935776    -12.38215323
  H     17.41862463      7.37800731     -6.52798666
  O     16.98154579     11.70791869     -8.94579359
  H     16.79462211     11.14443771    -12.56944755
  H     16.74627162      8.18813661    -15.25619253
  O     16.01996065     12.49042373    -11.46795953
  H     18.91251460      6.31977141    -11.69973072
  H     17.46829281      9.33740297    -14.52153426
  O     15.29287144     11.10354397     -6.88570938
  H     19.74987957      6.70980537    -12.94620294
  H     16.89617629      9.88664624     -9.20587471
  O     17.00160116      5.26581413    -13.89267110
  H     20.03918067      5.94283828     -9.05799441
  H     16.80906496      8.60934174     -8.34362279
  O     15.28715900      7.27139975    -10.57330731
  H     20.55155295      6.68696866    -10.29608550
  H     20.53204834      7.98707788     -8.23785684
  O     19.37088212      6.64795849    -14.75494185
  H     16.61428877      6.06000395    -10.92050171
  H     21.15184080      8.70255983     -7.01941699
  O     18.24070753      6.91716383     -6.74070329
  H     17.71091331      5.20947969    -10.22808402
  H     15.10815912      7.91564523     -7.10478457
  O     17.59119564      8.64979969    -15.18910087
  H     13.95043232     10.15844151    -11.85970511
  H     15.66199493      9.27947600     -6.60907697
  O     16.97959942      8.92405862     -9.23848491
  H     13.58654058     10.64620058    -10.42865108
  H     15.58360094      9.26916497    -12.88837775
  O     20.36448387      8.66445479     -7.55806443
  H     16.70990932     12.06340443     -9.80128100
  H     14.78393803      8.15674110    -13.61271343
  O     15.86906891      8.33899427     -6.68509166
  H     17.94621086     11.60253726     -8.94302059
  H     18.32548344      5.60595552     -7.87571450
  O     14.77535798      8.73648548    -12.84138137
  H     15.80444049     13.35791302    -11.79925554
  H     18.57151706      4.09446160     -8.08806844
  O     18.47116374      4.92115275     -8.55312655
  H     15.18247517     11.99149828    -11.40980189
  H     15.80116791      6.32791157    -14.59277995
  O     15.23155946      7.00943285    -14.99293507
  H     15.19162902     11.81973986     -6.26404796
  H     14.71411457      6.57645334    -15.66620961
          69
 Energy    -249.22238423932737     
  O     15.91953858     10.58141286    -16.80201532
  H     15.10753242     10.86178927    -16.36470909
  H     20.95594902     10.18999337    -17.67832013
  O     14.70583990      6.37477562    -13.46714985
  H     16.31296001      9.90438475    -16.22565312
  H     17.95669003      8.54959387    -15.08429099
  O     19.03250651     13.22417933    -11.40684406
  H     15.16920744      5.97614061    -12.71592373
  H     16.65665577      8.77011850    -14.24125877
  O     19.75815461      8.04253361    -15.13910637
  H     15.20080318      6.11161365    -14.25591279
  H     13.50563173     10.05644966    -15.13738362
  O     14.30997821      7.18746188    -17.49790080
  H     19.49240016     12.46085891    -11.01315393
  H     12.78966208     11.40941156    -15.35295243
  O     17.62788090     10.07734980     -9.08254761
  H     19.56519423     13.99356172    -11.22699504
  H     17.72835737      8.58863729    -10.17154109
  O     15.79830021      8.77123301    -12.62815370
  H     20.02908491      8.63187140    -15.85700673
  H     18.44960419      8.32726752    -11.52065750
  O     18.18265774     11.68498291    -13.60036176
  H     19.58954787      7.17805567    -15.53516241
  H     13.57050547      7.96414128    -16.02387401
  O     18.96643793      5.77730422    -16.66402881
  H     14.95113045      6.63594597    -17.02903983
  H     13.56595858      7.65649708    -14.51409888
  O     16.27552404      6.10724919    -15.79135322
  H     14.82907965      7.72431403    -18.10665812
  H     19.34323060     10.58564968     -9.83052970
  O     16.34871408      5.59210273    -11.34657497
  H     17.16495559     10.78569799     -9.56505772
  H     20.03925629     10.29766005    -11.17294164
  O     20.18156341      9.78012610    -17.30301508
  H     17.36355351     10.15023655     -8.16940896
  H     19.71319419      8.81537786    -13.46493851
  O     17.00647801      8.70568114    -15.13984923
  H     15.30109484      7.98062708    -12.87852865
  H     18.98034556     10.11230023    -13.03484537
  O     13.64594142     11.02014801    -15.19799576
  H     16.44404739      8.50662860    -11.96172199
  H     16.02576564     11.97129419    -11.32279275
  O     17.81134485      7.95358245    -10.89536661
  H     17.22438260     11.62908120    -13.47710427
  H     17.29878372     12.64728336    -10.77540950
  O     13.34111076      8.33499381    -15.15813135
  H     18.51049717     12.32278047    -12.95400864
  H     19.09225213      8.49318290    -18.19011793
  O     20.04226991     10.90071733    -10.41724206
  H     18.79434909      6.42213555    -17.37584497
  H     17.68090787      8.11901115    -18.70405171
  O     19.43495984      9.32748556    -12.69523763
  H     19.44348885      5.05237039    -17.05849622
  H     14.79899355     11.47110202    -13.74808822
  O     16.53635375     12.11523792    -10.51563836
  H     17.12863642      5.74815492    -16.05609147
  H     15.50382004     10.47640034    -12.81212965
  O     18.53945483      7.75026259    -18.46322597
  H     16.44632820      7.04656343    -15.61775489
  H     18.46650625     11.74112534    -15.42312247
  O     15.45115055     11.41903510    -13.04110300
  H     16.58238989      4.88419724    -10.75115762
  H     17.58003192     11.45471727    -16.64649750
  O     18.48796621     11.65662211    -16.38618166
  H     16.93267370      6.33247572    -11.12254176
  H     15.74807662      9.40935791    -19.80551175
  O     16.02436723      8.96600617    -19.00714288
  H     19.59795804     10.50091093    -17.00363722
  H     15.95137996      9.61430842    -18.28606547
          69
 Energy    -249.22238232060391     
  O     12.55185924     13.61341537    -13.15205915
  H     12.86182903     13.53301127    -12.23240582
  H     18.99612077     11.50363384    -17.23382761
  O     19.90885152      7.23040742    -12.68336239
  H     11.98949105     14.38295022    -13.18448202
  H     12.13881470      9.76788791    -14.25093336
  O     18.08644145     10.67500395    -12.45143049
  H     20.79898060      6.89927702    -12.77836744
  H     13.30727763      8.75199565    -14.36825130
  O     13.13074446     10.35577737    -10.82017704
  H     19.78580151      7.89544751    -13.37974950
  H     15.06345953     11.41638907    -13.36188215
  O     15.91146881      7.16289486    -11.13417514
  H     17.13159228     10.68275803    -12.60496740
  H     15.14909668      9.90039223    -12.97632760
  O     14.38032263      8.47176771     -9.12157045
  H     18.34135963     11.59117030    -12.28852364
  H     13.20929994     10.94718157    -17.43991600
  O     17.45309806      5.77186559    -13.17081314
  H     13.84599463     10.47585423    -11.45897065
  H     13.32614324     10.22179400    -16.07564104
  O     14.65239333     12.57484014    -14.66866503
  H     13.42776131      9.67101992    -10.20982218
  H     17.29416518      9.59688751     -9.40057470
  O     16.98101416      7.61835688    -15.17416586
  H     16.73901305      7.63434905    -10.96095666
  H     16.51836707     10.94271633     -9.37752505
  O     18.31813513      8.57662790    -10.70804354
  H     15.30344422      7.43176628    -10.43523419
  H     19.20029405      9.86439591    -15.23809496
  O     16.39451630      9.76409043    -16.92904513
  H     14.10378521      8.16686645     -8.26134408
  H     18.84864436      9.76164188    -13.75139211
  O     18.58570849     11.23296051    -16.41655522
  H     15.14354296      9.06203227     -8.98120028
  H     16.43886842     13.07094486    -14.74696448
  O     12.64765438      9.23525107    -14.88025959
  H     16.87614327      6.01508478    -12.43664184
  H     17.81339790     12.56661690    -15.25771662
  O     15.30629780     10.80180971    -12.65559808
  H     18.32625339      6.11587774    -12.94490454
  H     18.96081589     14.12716666    -12.07115951
  O     13.77825943     10.83723978    -16.68319667
  H     13.90459282     13.01398010    -14.24121488
  H     17.98178231     13.44906550    -13.06304918
  O     16.56613305     10.06629589     -8.97552950
  H     14.31511560     12.05117368    -15.40783027
  H     13.16292817     12.22687318    -10.48970718
  O     19.21016569      9.25153202    -14.49332541
  H     17.09452284      6.82619591    -14.62806377
  H     14.37690154     13.15849741    -10.42688231
  O     17.39327792     13.20022174    -14.66443930
  H     17.75412222      8.16977311    -14.99423876
  H     11.84376814     10.63355647    -12.18068895
  O     18.30437164     13.44025292    -12.14225133
  H     18.96348909      8.01872325    -11.15643633
  H     11.70259734     11.83354471    -13.13026164
  O     13.43163562     13.14673633    -10.62046307
  H     18.25494219      9.37166329    -11.25974259
  H     15.81920235     11.89663218    -11.20273353
  O     11.45889506     10.90745787    -13.02390712
  H     15.48331832     10.07631807    -16.88032938
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  O     16.17839512     12.46869766    -10.50914132
  H     16.43612632      8.91559945    -16.47043776
  H     15.56529928      8.04008886    -14.13229321
  O     14.89602085      8.25988260    -13.46954139
  H     17.78129877     10.73737251    -16.65911913
  H     15.14438785      7.79820719    -12.65735756
          69
 Energy    -249.22218586995055     
  O      0.15220161      2.96508514      4.17198649
  H      0.02517506      3.63822057      3.49258010
  H     -0.55775335     -0.20697232      2.16180266
  O     -2.16042041      1.43193770      4.36020838
  H     -0.69511996      2.50543247      4.26132883
  H     -2.52468081     -2.74305407      1.48252801
  O      1.09122070      1.85124872      6.59439357
  H     -1.89346661      0.91586159      3.58167316
  H     -3.63452310     -1.92511909      2.24065240
  O      0.13841114      2.01484389     -1.34301130
  H     -3.11366396      1.54329446      4.27624878
  H     -4.74429714      1.45388716      2.65836613
  O     -1.01164856     -0.62297287     -1.38407044
  H      0.36606161      1.23242851      6.74291585
  H     -5.69303905      1.75248292      3.84093588
  O     -4.37586453     -1.50303089      3.77091326
  H      0.80798091      2.40921843      5.85690886
  H      1.11149379     -1.28135683      1.51711392
  O     -3.86572981     -0.55032107     -0.75298754
  H      0.80447236      2.27369248     -0.68203048
  H      1.64350845     -0.01425995      2.33741287
  O     -1.72716445      2.50286738      0.67989661
  H      0.43654768      2.36367297     -2.17922454
  H      0.03735848     -1.76519101     -0.43149272
  O     -2.80744489     -2.19241664      6.05748471
  H     -1.95653113     -0.49939394     -1.24372108
  H      0.02456720     -2.91761350      0.60701052
  O     -1.17580993     -3.95659827      1.74301717
  H     -0.61752945      0.25731277     -1.40221190
  H      2.50859525      0.99334619      6.00348474
  O     -0.80629876     -3.42145459      4.38118608
  H     -3.90059710     -1.71544268      4.58328005
  H      3.97443282      0.50384161      6.08058221
  O     -1.45689571      0.14140684      2.09285041
  H     -4.59598875     -0.56448852      3.80851628
  H      1.20302650      3.62258669      1.03481376
  O     -3.14342518     -2.00643082      1.40782411
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  O     -4.86806654      1.33040413      3.61666052
  H     -4.43092471     -1.03494238     -1.34970611
  H     -0.24173567     -0.60323760      5.82547566
  O      1.08927083     -0.80293458      2.35960082
  H     -1.21553653      2.39483423     -0.13218912
  H     -1.41244015      0.42066554      5.65194887
  O      0.59913960     -2.28040259      0.16685703
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  H      1.92447882     -0.99023853      5.28334348
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  H     -3.09329207     -2.54638196      6.89618783
  H      1.09161916     -1.29447948      4.02804909
  O      1.76842388      2.95013508      0.63551367
  H     -2.19094807     -1.46824688      6.25589147
  H      2.82469058      1.21641976      3.79269719
  O     -0.96882104     -0.15967579      6.28909348
  H     -1.00739778     -3.78850146      2.68728538
  H      1.58003348      2.04061857      3.41843269
  O      1.13712387     -1.45781580      4.98474586
  H     -1.17948300     -4.90397470      1.63264063
  H     -3.56817438      2.14882833      0.81958750
  O      2.34849225      1.58730125      3.04052309
  H     -0.04666149     -2.89461383      4.66075457
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  O     -4.39699712      1.67095624      0.95395722
  H     -1.54451076     -3.12608325      4.92610543
  H     -0.68423365      5.37488629      1.69028554
  O     -0.31458776      4.51770515      1.88471345
  H     -2.03238044     -0.58565298      1.82851505
  H     -0.90329226      3.85650798      1.48026651
          69
 Energy    -249.22204627156103     
  O     -2.21713715     -2.14476332     -2.27193124
  H     -2.49101947     -1.22452640     -2.35528396
  H      0.99373047      1.07985829     -5.63846619
  O     -0.05313186      1.90217418     -2.88061196
  H     -1.26937861     -2.14206709     -2.48420802
  H     -2.16470716     -2.47911448     -7.27582760
  O      0.49619777     -1.83343795      0.91461257
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  H     -1.89208172     -1.57770577     -6.04840014
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  H      1.19526615     -3.11767536     -1.64719017
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  H     -0.19419049     -5.77310930     -2.51494184
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  H      0.39936557      2.30591228     -6.37207904
  H     -0.27549044      2.36530645     -1.07356809
          69
 Energy    -249.22184521553510     
  O     -1.45935827      0.97901211      3.86747577
  H     -1.90924423      0.57256671      4.60376335
  H     -2.39503303      4.24643049     -2.30078035
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  H      1.41779883      3.54320209      4.59943417
  O     -2.93327484      3.42463175     -3.88715106
  H     -3.90406780      1.66525125     -1.35963368
  H      1.67848551      4.76437138      5.49995761
  O     -4.24297887      4.54202345      2.08567139
  H     -3.74523828      2.02954357     -2.84576678
  H      1.12861450      2.19880609      1.40941042
  O     -0.16727966     -0.25477400     -1.03890897
  H     -3.25395840      3.82090125     -4.69271647
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  H     -2.21739396      2.81370238     -4.13978424
  H     -2.89844065      3.25091554     -0.37066061
  O      1.28866874      1.78322170      4.37941673
  H     -5.02500616      5.05473026      2.26868712
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  H     -1.41637826      4.16561211      3.38318596
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  H     -0.68625048      0.03645153     -0.27493501
  H     -2.92378965      3.88666762      3.24671520
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  O     -2.05584318      4.47580240     -1.42718887
  H      0.70411982      1.01832440     -2.15076292
  H      0.12897490      4.21551125      1.90893687
  O      1.44690466      4.51503331      4.60970731
  H      1.82819850      1.51518718      3.62327856
  H      0.56856608      5.01957648      3.16773847
  O      0.34458905      2.65347682      1.07647124
  H      0.40591145      1.43074903      4.22049153
  H      1.79229740      5.00719351     -0.33931124
  O     -3.40934534      2.63559570      0.17715949
  H     -2.63762880     -1.40804829     -3.30272522
  H      1.67197204      5.45741738      1.12492936
  O     -2.12119004      3.58591198      3.69065210
  H     -2.84308557     -0.01227858     -2.66751707
  H      0.55123291      3.47146507     -0.48134373
  O     -1.64327193      0.72535524      1.08745844
  H      2.57283611      0.52540486      1.35600166
  H      0.86457938      3.24008783     -1.97090155
  O      0.04828087      5.07575658      2.35076510
  H      3.23033738      1.92429834      1.56978019
  H     -0.17061179      1.65334988     -4.00576827
  O      2.31311010      5.28601538      0.42782485
  H      2.55336698     -1.66268159     -0.00895111
  H     -1.39497361      0.72983530     -4.09027050
  O      0.62927295      3.92732817     -1.33520760
  H      1.45813307     -0.63870899     -0.38048271
  H      4.98389873      3.59421323      0.79148790
  O     -1.03783690      1.56151266     -4.42401431
  H     -1.42502893      5.82797887      1.40876042
  H      3.51014849      3.99679323      0.57110553
  O      4.11547782      3.23722099      0.62282661
  H     -2.17414064      5.62049076      0.06476535
  H      3.85233562      2.03965758     -0.88161977
  O      3.63698537      1.36003415     -1.53151678
  H     -1.09626688      4.34804556     -1.45889905
  H      3.35333046      0.58897414     -1.02488081
          69
 Energy    -249.22171281625720     
  O     11.07423909     11.41457744    -12.40987600
  H     10.67233515     12.26561018    -12.25265940
  H     14.85456064      6.37695939    -16.20906474
  O     13.71660715      7.15866965    -15.10686880
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  H     18.03273513      6.42726881    -14.74378197
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  H     13.22030953      7.95659470    -15.33841103
  H     17.29745819      6.22600472    -16.08125549
  O     18.79649270      8.86374847    -16.82146958
  H     13.45960007      6.89262728    -14.21205761
  H     16.12399757     11.68158243    -15.53916454
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  H     17.92820341     10.78636162    -13.15183785
  H     14.96710507     11.60251400    -16.55567293
  O     15.92502697      7.15157333     -9.28006310
  H     18.51701761     11.60018328    -11.98029954
  H     15.41514469      9.27510086    -13.32448545
  O     13.09656809      6.65367632    -12.47494415
  H     19.62016758      8.79188726    -17.29564541
  H     15.04546248      8.21769623    -14.42034776
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  H     18.64333782      8.00078338    -16.39381725
  H     11.27292313     10.05167872    -11.02912672
  O     16.15889902      8.60627258    -17.92564398
  H     13.01676746      9.86862665    -16.47917908
  H     10.93683589      8.55422028    -10.92486488
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  H     12.86269019     10.26784438    -14.99524331
  H      9.54101400      6.73411889    -12.20365454
  O     17.56268874     10.51761004    -14.91827855
  H     16.27380643      6.91874696     -8.42420835
  H     10.28643276      7.88426673    -12.92362540
  O     15.53612270      6.05875385    -16.82504561
  H     16.64680383      7.58855594     -9.76823394
  H     16.83106649      7.35577032    -13.36815715
  O     18.14473186      6.49000953    -15.70237409
  H     13.46429047      7.34976288    -11.91102489
  H     16.76887960      6.03357223    -12.56334597
  O     15.28931925     12.09529819    -15.79078580
  H     12.13806831      6.70034543    -12.36917644
  H     17.86078015      7.67118552    -11.57524757
  O     15.77505124      8.68497618    -13.99856896
  H     14.80934241      9.93295036    -11.44243158
  H     17.98929906      9.16133627    -11.21216338
  O     11.37870654      9.27735589    -10.46230515
  H     16.07998533     10.74746832    -11.91028634
  H     13.96500419     10.69331011    -18.72171252
  O     10.36032678      7.22113810    -12.21346882
  H     17.06510420      8.76826271    -17.63903745
  H     14.88697828      9.76394273    -17.89710648
  O     17.37432436      6.62746666    -13.03038049
  H     15.94582500      7.70737683    -17.64574522
  H     13.11720532      8.81632263    -10.37895883
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  H     14.58585808      5.59167180    -11.85821710
  H     14.50577516      8.11488046    -10.00343241
  O     14.16502750     10.41477883    -17.83206335
  H     15.56165567      5.80767429    -10.68622015
  H     13.98271830     11.32457143    -13.14255518
  O     14.01111756      8.59362313    -10.67891305
  H     16.90153393      9.84445971    -14.68664298
  H     13.99132492     11.96042317    -14.54651827
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  H     18.12332665     10.10115066    -15.58351512
  H     10.95731068      9.28410393    -14.74286986
  O     10.29480065      9.21769448    -14.04374598
  H     15.20531977      5.24823206    -17.20392282
  H     10.41024953     10.01128792    -13.50491305
          69
 Energy    -249.22155441738852     
  O     12.19914279      5.75987476    -12.05481745
  H     11.36690553      5.39195858    -11.77126371
  H     19.28683889      8.55736993    -12.73901900
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  H     15.65547881     10.70400941    -14.56459322
  O     12.66898371     10.15198138    -11.44662283
  H     15.94992263      4.96783802    -12.83974634
  H     14.92728278     11.63764156    -13.57258190
  O     14.98159337     11.90452819    -11.69433330
  H     17.33013277      5.58251651    -13.29167954
  H     14.67020631      7.84213007    -13.11936377
  O     12.98517934      7.61366484    -17.83644949
  H     13.36994419     10.81219963    -11.42001501
  H     15.96303539      7.08106152    -12.69159917
  O     14.25261249      5.99204112    -15.87042516
  H     12.33419238     10.18424499    -12.35178050
  H     18.01572503      5.29322683     -9.67138700
  O     12.29697491     10.17925512    -14.26402448
  H     15.48655824     11.17471399    -11.29653196
  H     17.22269346      5.74485577    -10.91836558
  O     14.26468644     10.99427272    -17.23743716
  H     15.18008540     12.68675909    -11.18576424
  H     14.32145533      4.79515712    -14.36776112
  O     18.29753586      6.19168850    -14.65183112
  H     13.78125923      7.97912502    -18.24219527
  H     13.62686190      4.78021201    -12.98426672
  O     16.95999320      9.45404203    -14.56382426
  H     13.29528101      6.92246316    -17.23797006
  H     15.94020705      9.15094042     -9.92276430
  O     16.57390223      7.47857044    -16.51752490
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  H     15.90296227      9.08007043    -11.45930763
  O     19.50461553      8.62874832    -13.68511510
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  H     17.95504790      9.01753895    -10.93748575
  O     14.88293428     11.28050282    -14.46796123
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  H     18.45870428      7.59021620    -10.70361215
  O     15.56283391      7.95626815    -12.76848142
  H     13.17882669     10.57026151    -14.35374637
  H     15.53167994      7.49221229     -7.91518436
  O     17.50644392      6.01726492    -10.02647884
  H     13.33651164     10.73272131    -17.18926855
  H     16.20481462      7.02609471     -9.22541940
  O     14.38895463      4.44313732    -13.46971707
  H     14.51626129     11.24507428    -16.34013912
  H     15.69737801      9.24781361    -19.47682770
  O     16.17128917      9.64753213    -10.71663428
  H     18.81467540      6.95874248    -14.37743361
  H     15.07042768      9.72219404    -18.14463561
  O     18.71180633      8.43655829    -11.08866503
  H     17.78092775      6.48163791    -15.41481054
  H     12.88238154      8.52475246    -10.64527326
  O     15.54758458      7.63841251     -8.85814797
  H     17.89246891      9.33842993    -14.34587054
  H     13.83968752      7.62799111     -9.81162735
  O     15.40118879      8.94143041    -18.62400874
  H     16.46727182      8.90590627    -13.93110278
  H     12.06193870      8.97994061    -17.25496243
  O     13.01337330      7.62732716    -10.30342688
  H     16.27115576      7.89209202    -17.33513168
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  O     11.65686086      9.81741985    -16.96567544
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  O     13.10253878      7.56486336    -13.95570053
  H     20.41116340      8.91899747    -13.73798427
  H     12.60639030      7.02125016    -13.33029618
          69
 Energy    -249.22150912115524     
  O     12.25431450      7.24108546    -15.88233267
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  H     13.35854541      7.31342349    -10.83301385
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  H     12.35751666      9.09787493    -10.33612904
  H     13.12918361      3.55009945    -12.78579435
  O     12.98578461      2.85913820    -11.18010976
  H     11.33121078     10.14008303     -9.84129593
  H     12.92783984      5.74081035    -12.75486525
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  H     11.92440122      6.91720231    -12.51620672
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  H     15.86396898      4.86092285    -10.70601937
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  O     10.73656579      4.32357910    -10.21144290
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  O     14.94922383      3.95454713     -9.39181431
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  H     13.93058321      9.47817670    -13.31467635
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  O     12.83387626      6.62330593    -12.37962347
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  H     18.34069725      5.64814770    -15.20590759
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  O     18.97510560      5.44704555    -12.30699707
  H      9.99781664      3.92510563     -9.75715712
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  O     16.17709683      8.12567403    -11.27812018
  H     19.49139353      8.62532209    -12.44381844
  H     15.28708293      6.23450620    -15.00788103
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  H     14.92734137      7.72736227    -14.76949427
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  H     10.79577329      4.07232502    -15.70675793
  O     15.09194261      7.06661734    -15.46078995
  H     13.07420041      6.40226141     -9.02247370
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  H      9.75472783      6.26517190    -12.52844368
  O      9.76497353      5.29808230    -12.56595363
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  H     10.07792269      5.07158605    -13.44923998
          69
 Energy    -249.22088102093534     
  O     -6.55507143     -2.01008052      6.41875841
  H     -7.08584392     -1.33054894      6.86139306
  H     -7.80463798     -0.03267346      4.30803367
  O     -7.87079079     -3.38596174      4.51922400
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  H     -3.11923766     -1.14751624      6.56036081
  O     -6.49066624      0.40441864      0.06202770
  H     -7.43422559     -2.89914299      5.24279756
  H     -3.70381217     -0.90397618      5.14820708
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  H     -2.18673367      3.18562932     -0.57920273
  O     -6.65914012      5.08503109      0.25865734
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  O    -10.59425830     -0.01767137      2.34578916
  H     -7.19185577      0.80490381      0.59742495
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  O     -8.19234535     -0.00944294      7.39891517
  H     -5.94610158      1.02300909      4.95418435
  H     -8.48145097      3.44323049      4.27016270
  O     -3.57114221     -0.99028186      3.42640974
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  H     -6.49499202     -2.88791708      3.37893522
  O     -4.15489556      1.02981886      1.51303701
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  H     -8.90342418     -2.73575679      3.00190347
  O     -3.89593482     -0.83935419      6.10205010
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  H     -9.77770482     -1.70167100      2.23533963
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  H     -4.28755211     -1.59776086      3.19190566
  H     -6.74770454      3.28049490      7.85164537
  O     -9.51841486      0.31902830      4.95792916
  H     -3.63273240     -0.26815280      2.78917099
  H     -4.88614855      5.14606750      1.06281131
  O     -5.89761675     -2.36606934      2.82702329
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  H     -4.66823241      2.30636355      2.71937399
  O     -4.03280505      4.89773846      1.43892700
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  H     -4.94226168      0.74771424      1.02769660
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  H     -7.31439685      4.45264937      1.90062882
          69
 Energy    -249.22058111891494     
  O     -7.72934519     -3.54225295      6.07455957
  H     -7.12685347     -2.83459738      6.36439238
  H     -4.48634844      1.49678045      2.61768768
  O     -9.14760350     -2.09553895      2.20417599
  H     -7.63393442     -4.25386962      6.70284539
  H     -6.85470911     -0.52929546      3.96162273
  O     -7.25314879     -3.87543158      3.27688170
  H     -8.69786058     -1.48709005      2.81007570
  H     -8.20636324     -0.03275628      4.58338424
  O     -5.29553542      1.57975674      1.02329682
  H    -10.02619970     -2.26791442      2.57269658
  H     -6.22512550     -0.66405982      7.09993866
  O     -6.69889321      1.17074319      7.43135510
  H     -7.41966384     -3.81395504      4.22553557
  H     -5.56600118     -1.38386094      5.90882727
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  H     -7.98178117     -3.41177954      2.84353760
  H     -1.58480401      3.99992292      2.97487517
  O    -10.17299474     -2.07547630      5.87793558
  H     -6.23662933      1.67120953      1.22094734
  H     -3.02047125      3.96732623      2.39325782
  O     -5.07313819     -0.98066163      4.21450618
  H     -5.20392280      0.69448804      0.64114650
  H    -10.83569525      3.29212453      4.86832692
  O     -4.21057552      4.15865860      1.12663163
  H     -6.53144259      1.68202371      8.21892970
  H     -9.33382839      3.25494432      4.54246596
  O    -11.48911639     -2.51526080      3.53677260
  H     -6.41035210      1.71392415      6.67805248
  H     -5.77523246     -3.34182637      2.57594185
  O     -5.53606012     -1.00634790      0.18247969
  H     -5.63604280      5.51928676      3.36675486
  H     -4.34628700     -3.65127706      2.06675576
  O     -4.07986411      1.48979565      3.49810654
  H     -6.37258895      6.56043694      2.48920802
  H     -8.73178715     -1.33053197      0.67955457
  O     -7.75907575     -0.26110360      3.75824369
  H     -9.89282750     -1.16538235      6.04184304
  H     -8.93950669     -1.03441304     -0.82430367
  O     -6.03036764     -1.53798951      6.74479429
  H     -9.38015471     -2.61813602      5.96793352
  H     -8.35139894      0.71818888      6.67844309
  O     -2.49022961      3.79950852      3.19444953
  H     -4.58246188     -0.18071885      3.98402174
  H     -9.48902926      1.34511738      5.82135495
  O    -10.00183704      2.94041057      5.17113329
  H     -4.91718470     -1.64013747      3.52667305
  H     -5.03329450      4.27423307      5.07156824
  O     -4.96228815     -2.93955514      2.21873490
  H     -4.94541907      4.68167918      1.46828024
  H     -3.76429720      4.69819036      4.30722644
  O     -8.41163280     -0.79447386     -0.06737173
  H     -4.57130767      3.28419202      0.92196276
  H     -5.33538906      2.17612512      4.64067508
  O     -9.08368701      0.50688091      6.08698844
  H    -12.29204446     -3.00383068      3.69250568
  H     -6.71701232      2.88829628      4.63433234
  O     -4.58167575      5.03947117      4.69276855
  H    -11.09161537     -2.36416954      4.41282856
  H     -7.92475312      0.87609147      2.42452081
  O     -5.98952851      2.61003057      5.20645228
  H     -6.48912037     -1.02453278      0.03088360
  H     -8.26033173      0.85499054      0.92205244
  O     -8.01531965      1.44635747      1.64270676
  H     -5.34756364     -1.70018341      0.82586819
  H     -7.45290664      4.30971651      3.05391658
  O     -7.95201386      3.56041235      3.40152662
  H     -3.39688106      2.17010721      3.48993638
  H     -8.04647512      2.91006581      2.69027360
          69
 Energy    -249.21977176213625     
  O     15.65802688      9.82001440    -16.34102016
  H     16.24991037     10.57748532    -16.40075672
  H     19.05318009      8.84611329    -17.30726244
  O     15.20719281      4.75921702    -12.79571693
  H     16.12595278      9.16026711    -15.80490398
  H     15.99194948      7.51375074    -14.44376087
  O     17.19139799     13.32043269    -11.06640303
  H     14.55991038      4.36125334    -12.21899592
  H     17.23151154      7.06263527    -15.24885635
  O     19.48077236      8.40051395    -14.21081296
  H     14.78109900      5.53447983    -13.20244168
  H     14.01809642      9.87573663    -13.63808679
  O     14.15060610      5.76076876    -16.80508658
  H     17.95217237     12.93031362    -10.61699213
  H     14.14654174      9.72450531    -15.16563563
  O     16.96736753     10.20861370     -8.93234544
  H     17.23056462     12.99447093    -11.97589685
  H     16.86119118      8.96265055    -10.25387439
  O     17.32831991     11.82192984    -13.46203885
  H     18.52020970      8.31403201    -14.32612130
  H     16.15729571      9.06213353    -11.62515456
  O     19.75434781      5.68578437    -13.57134757
  H     19.79324284      7.51543319    -13.98699762
  H     13.87584365      7.75697840    -14.21570257
  O     18.22972419      5.62941028    -15.94204302
  H     14.67118125      6.41228341    -17.30802458
  H     14.11245713      6.49620195    -15.10178670
  O     16.03939796      4.09588630    -15.47262006
  H     13.38573050      5.55425279    -17.33563284
  H     19.29029631     11.11510953    -10.68858865
  O     17.63259538      5.98719225    -11.95034106
  H     16.23906958     10.80729814     -9.14307228
  H     20.14558306     11.80726722     -9.60303566
  O     19.33604882      9.58271522    -16.75256906
  H     17.77130153     10.72157084     -9.07860407
  H     18.27107861      9.48592853    -11.71619136
  O     16.83642612      7.82000737    -14.79599394
  H     17.98473269     11.23195231    -13.06600052
  H     19.37347002      9.51503707    -12.79788166
  O     13.59386929      9.47872697    -14.41226821
  H     17.49087521     11.84557554    -14.41212999
  H     14.39788603     12.65427316     -9.60491171
  O     16.81895579      8.55759033    -11.13348651
  H     19.00613280      5.77100976    -12.94992598
  H     15.76092007     12.61075847    -10.33863319
  O     14.23611687      6.85733645    -14.21377780
  H     20.38478311      5.09738559    -13.16659497
  H     18.94771871      6.79821226    -18.84752975
  O     19.25073619     11.70551265     -9.91677434
  H     17.51343794      4.98661718    -15.82183416
  H     18.44407630      6.59517708    -17.40021708
  O     18.99346684     10.02550028    -12.07139904
  H     18.82836067      5.54798384    -15.18959835
  H     14.95589888     10.98807644    -11.53278143
  O     15.03776957     12.06024731     -9.98735186
  H     15.34890177      4.53931165    -15.98301764
  H     15.83373934     10.97036868    -12.81013097
  O     18.46541998      7.22375726    -18.14263210
  H     15.77713532      4.16454110    -14.54638163
  H     18.36562414     10.99507329    -16.47257750
  O     15.14749676     10.48240343    -12.33238811
  H     17.35232016      6.85291835    -11.62386246
  H     17.97990125     12.45021323    -16.83330294
  O     17.75989922     11.72605649    -16.25337815
  H     16.82675896      5.50685705    -12.17429392
  H     15.53893578      8.47641268    -17.62383855
  O     15.62548368      7.63327412    -18.08984548
  H     19.57008682      9.19570261    -15.89815815
  H     16.57120421      7.50643111    -18.22811169
          69
 Energy    -249.21969636351918     
  O     17.59113640      8.20123431    -12.24006045
  H     17.95507655      8.39636132    -13.11256681
  H     11.67357358     11.26801011    -15.02844496
  O     18.38112513      9.01590488    -14.82528299
  H     18.05885084      8.73917891    -11.58324152
  H     17.20901864      9.85096309     -5.80745650
  O     11.77403559     10.20267977    -11.76747598
  H     17.55870514      9.30782194    -15.25806349
  H     17.57632445      9.06609063     -7.09065790
  O     15.73313434      6.55505565    -10.97924648
  H     18.88029117      8.53787795    -15.48251280
  H     14.56933638     10.25794601    -11.02601173
  O     18.61311409      9.83172645    -10.28070324
  H     11.97735614     10.55166035    -12.64216437
  H     13.96089530      9.54925439     -9.79439127
  O     20.02011039     12.00737852    -11.32910971
  H     12.49542260     10.47596571    -11.18514331
  H     18.78917902      8.61180104     -8.87652952
  O     16.51266173     11.16202775     -8.99242793
  H     16.40102204      7.05914197    -11.46469157
  H     18.22679516      7.27201199     -8.33202743
  O     11.47574054      7.58546988    -11.09440132
  H     16.18872692      6.16320091    -10.22311089
  H     16.01875179     11.51684484    -12.87931535
  O     16.04878203      9.85417632    -15.93353591
  H     19.21155369     10.52347131    -10.58895349
  H     16.63211986     12.82033055    -12.28983504
  O     13.53016024      6.59785218    -12.82081966
  H     17.85785985     10.28144417     -9.87388627
  H     16.36227255      6.25150547     -7.99501603
  O     13.98444077      8.61977520    -14.58538307
  H     20.89186593     12.39002109    -11.36880296
  H     17.15744704      4.93674497     -8.18227437
  O     12.39656651     10.98600992    -14.47188309
  H     19.72561141     11.87566045    -12.24894799
  H     16.18924866      9.31076556    -12.38362430
  O     16.88075252      9.60229170     -6.66768478
  H     16.57510156     10.73951181     -8.12708816
  H     14.89966016      9.46167317    -13.22529677
  O     14.11903221     10.42215145    -10.18205977
  H     15.62565991     10.98267352     -9.33469389
  H     18.05611958     11.93607391    -13.65994201
  O     18.65618184      8.09516585     -8.07010768
  H     10.55820227      7.36400013    -10.96196195
  H     18.86310769     10.72588047    -14.17342854
  O     16.31968989     12.40957487    -13.10859685
  H     11.50543716      8.52063629    -11.36519747
  H     14.42329253      7.38448223     -9.99954231
  O     16.99614501      5.79077984     -8.57476156
  H     15.34629364      9.28215032    -15.58906955
  H     12.89357133      7.62032398     -9.87447081
  O     15.42305813      9.88031926    -12.53110970
  H     15.69949709     10.74765851    -15.86111427
  H     18.36663772     12.94326745    -10.83591271
  O     18.95482458     11.60007765    -13.77732156
  H     12.78472434      6.82098414    -12.24970949
  H     17.09514755     12.63533383    -10.02469685
  O     13.73881728      7.77517862     -9.43568881
  H     14.28251226      6.43511915    -12.23796277
  H     15.27685000     12.51577776    -14.49263823
  O     17.44257778     13.19865628    -10.72923040
  H     13.76346474      7.84994015    -14.03870474
  H     14.80173070     13.17732732    -15.80520650
  O     14.69779892     12.39678189    -15.26664177
  H     13.24470011      9.23735470    -14.57543240
  H     15.66151378      8.12027659     -6.89839612
  O     15.24000371      7.28681081     -7.13949976
  H     13.16755854     11.51167643    -14.73642851
  H     14.58656792      7.49502994     -7.82256697
          69
 Energy    -249.21948214422224     
  O     16.44810833     10.37552708    -16.95627068
  H     15.61636553     10.76026095    -16.65682962
  H     21.12356348      8.80232917    -17.36920488
  O     14.86446584      6.47262997    -13.63097003
  H     16.72864142      9.76921085    -16.25123215
  H     18.08244588      8.51502916    -14.63722288
  O     18.92044410     13.51658318    -11.51563092
  H     15.40082011      6.11234690    -12.91166129
  H     16.65925338      8.85432276    -14.08827463
  O     19.80820421      7.87144042    -14.27572120
  H     15.31679997      6.21011118    -14.44277145
  H     13.78995737     10.18929966    -15.58413975
  O     14.50102277      7.16685702    -17.63941496
  H     19.28079582     12.81010926    -10.95007391
  H     13.22341226     11.55517319    -16.03616715
  O     17.04705356     10.56370310     -9.08178967
  H     19.42906152     14.30236253    -11.33616411
  H     17.28110949      8.99676975    -10.03741749
  O     15.54200324      8.98258444    -12.62132409
  H     20.10754581      8.00584524    -15.18281439
  H     18.18560362      8.72489790    -11.26401346
  O     18.36419611     11.81438146    -13.70207780
  H     19.49415118      6.96026177    -14.17399493
  H     13.73642267      8.05057473    -16.27372716
  O     18.50680080      5.48590809    -13.90872551
  H     15.14405023      6.65953120    -17.12889264
  H     13.63761517      7.82565721    -14.75660427
  O     16.60295610      6.20783975    -15.92456323
  H     15.02563349      7.66002905    -18.28125929
  H     18.88704359     11.06888969     -9.55834788
  O     16.78497545      5.80566541    -11.60512285
  H     16.71579001     11.24675819     -9.69259800
  H     19.76310116     10.68442839    -10.76125938
  O     20.29264185      8.65858609    -16.92322133
  H     16.65280668     10.74242808     -8.23225956
  H     19.70589153      8.98897931    -12.90310738
  O     17.17014574      8.70164072    -14.89188476
  H     15.16401964      8.14788213    -12.92796804
  H     19.01022546     10.36888287    -12.77301343
  O     14.01844512     11.12562745    -15.73219767
  H     16.14211937      8.78102394    -11.89158652
  H     15.92611928     12.29381906    -11.70188045
  O     17.47021820      8.34845091    -10.72824293
  H     17.39852571     11.75711399    -13.68696547
  H     17.12635499     12.99946980    -11.04568423
  O     13.48876294      8.48198615    -15.44045431
  H     18.61019559     12.50785046    -13.07683890
  H     18.98622374      7.44794691    -17.66490807
  O     19.66676171     11.34104856    -10.05676116
  H     17.87064431      5.51714805    -14.63426973
  H     17.69224606      7.46466515    -18.50091920
  O     19.36883634      9.62990123    -12.26162765
  H     17.98385462      5.51039144    -13.09880151
  H     15.01186528     11.61630960    -14.19793699
  O     16.32241924     12.50368483    -10.84645631
  H     17.19698538      6.21517599    -16.69171525
  H     15.47488990     10.68654056    -13.06430250
  O     18.26519572      6.88864715    -17.97854402
  H     16.70734360      7.09401218    -15.54117379
  H     18.99058729     11.36768094    -15.43880910
  O     15.56730223     11.58806557    -13.41109062
  H     16.76522996      5.17056392    -10.89260067
  H     18.22486127     10.99901679    -16.71322518
  O     19.11558807     11.05103909    -16.34287176
  H     17.06320350      6.65047243    -11.21553347
  H     16.36282893      9.20721775    -19.95669897
  O     16.39544273      8.71735667    -19.13922279
  H     19.91804030      9.53867200    -16.73999788
  H     16.41740140      9.37060037    -18.41913589
          69
 Ord_Energy   -249.219452    
 O   -5.86657524     -0.545633614       4.00304794    
 H   -5.10028839     -0.107192963       4.40636396    
 H   -5.78897476      -1.48215497       4.20941687    
 O   -3.55063796      -1.39618897       1.78015065    
 H   -4.19548225     -0.680200219       1.84172833    
 H   -3.35592294      -1.71093023       2.66967130    
 O   -3.85513377     -0.756906450      -2.16215467    
 H   -3.28835034      -3.24573703E-02  -1.86357498    
 H   -4.71199608     -0.639748812      -1.73895609    
 O   -6.39697981      -1.02692378     -0.689306855    
 H   -7.23001146      -1.24444878      -1.10033250    
 H   -5.99096537      -1.86632812     -0.415314496    
 O   -3.53445840      0.673237801       4.88723803    
 H   -3.24287581       1.44508255       4.38362360    
 H   -2.72196245      0.203404590       5.10044432    
 O   -2.29856157       4.72467709      0.152998075    
 H   -1.64286780       4.32379580     -0.431000531    
 H   -2.95805407       4.03636646      0.317546040    
 O  -0.204815045      0.718644202       2.78324652    
 H  -0.349614114      0.192563355       3.57921076    
 H  -0.454591811      0.166173384       2.02780843    
 O   0.729452193       3.00066710       1.38176751    
 H   0.287831753       3.71468687       1.85847640    
 H   0.568982124       2.19711494       1.89332616    
 O   -4.88712931      -3.17976546      0.131586894    
 H   -4.36805487      -2.59843659      0.711197019    
 H   -4.31853533      -3.39544296     -0.618431509    
 O   -1.00512636       4.98353291       2.53333855    
 H   -1.48922741       5.00541401       1.68790579    
 H  -0.950576663       5.88254738       2.84441924    
 O   -3.07488871      -3.33913183      -2.00755811    
 H   -3.29178452      -2.39557028      -2.12406301    
 H   -3.04454923      -3.72386789      -2.87899184    
 O   -5.36051464      -3.35580516       4.56578207    
 H   -5.28669643      -3.92809272       3.78132391    
 H   -5.89261198      -3.82690716       5.20161152    
 O  -0.228521973       3.20555282      -1.15773988    
 H   0.467954248       3.46946859      -1.75258613    
 H   0.178827047       3.09547234     -0.279636294    
 O   -2.19461393       1.21038580      -1.06167531    
 H   -2.76446152       1.61136377     -0.387280494    
 H   -1.50253069       1.85483491      -1.25220120    
 O   -1.01047432     -0.788651288       5.04246759    
 H   -1.55226159      -1.54253602       4.75232458    
 H  -0.584164560      -1.05220735       5.85420990    
 O   -4.85093355      -4.86363888       2.36114025    
 H   -3.89664149      -5.00965595       2.35756207    
 H   -5.03482008      -4.39243984       1.53730381    
 O   -5.61660194      0.530293107       1.53362072    
 H   -6.04916525       3.57010886E-02  0.827738822    
 H   -5.90434837      0.185852647       2.39425278    
 O   -2.67065120      -2.74813724       4.14413691    
 H   -3.56274724      -2.95631170       4.45244074    
 H   -2.37541819      -3.48155069       3.58708978    
 O   -2.25398088       2.56368995       3.24635267    
 H   -1.86602604       3.44431710       3.17834330    
 H   -1.53917027       1.93162680       3.08044457    
 O   -1.16147637     -0.742426038      0.632859290    
 H   -1.38078272      -9.15746465E-02  -4.62413616E-02
 H   -2.00930715     -0.986197293       1.03801131    
 O   -1.97997236      -4.81561899       2.38498783    
 H   -1.70022452      -4.36185884       1.56969643    
 H   -1.38288963      -5.54921532       2.50565124    
 O   -3.72925353       2.40820384      0.901462615    
 H   -4.49792624       1.85026979       1.08169353    
 H   -3.23554277       2.46008110       1.73234689    
 O   -1.22134948      -3.50077462      0.145122856    
 H   -1.77627015      -3.52603650     -0.643777609    
 H   -1.00672376      -2.56771779      0.279012889    
          69
 Ord_Energy   -249.219421    
 O   -10.4905977       2.13911295       5.21154737    
 H   -9.83226776       2.23579383       5.92200041    
 H   -11.3312683       1.98700392       5.63555574    
 O   -8.31064796       5.43145847       6.78120327    
 H   -7.35822487       5.48882914       6.57734346    
 H   -8.52241707       6.18305874       7.32714176    
 O   -7.54969025      -1.49525976       3.71272016    
 H   -8.10613728      -2.24314475       3.51056886    
 H   -8.06305504     -0.697712123       3.50378370    
 O   -1.17665827       1.29686058       7.50599003    
 H   -1.48638976      0.393687308       7.64677858    
 H   -1.58453488       1.58298850       6.67585421    
 O   -4.80259323      -1.07516706       2.86514854    
 H   -4.81210423     -0.335532755       2.24379992    
 H   -5.72587729      -1.29233229       3.03534031    
 O   -2.88024092       1.97508168       5.38371706    
 H   -2.99324417       2.32527041       4.48786402    
 H   -3.47008371       2.46105146       5.97394085    
 O   -6.18600512     -0.368981332       5.93026686    
 H   -5.25070667     -0.543713152       5.75273943    
 H   -6.69733715     -0.878581822       5.29149389    
 O   -6.39115477       1.26250529       8.14211655    
 H   -6.39458609      0.609637916       7.42609549    
 H   -5.72628975      0.957259476       8.77672291    
 O   -7.44619656       2.18445563       1.14564466    
 H   -8.04077053       1.69065762       1.72346091    
 H   -7.62278318       3.11562228       1.32862389    
 O   -8.75564575      0.951997757       3.32385635    
 H   -7.99760342       1.41240883       3.71945286    
 H   -9.51698399       1.24304378       3.83858466    
 O   -9.45102882       4.66641426       4.26146603    
 H   -9.92006874       3.85775661       4.49526691    
 H   -9.09514523       5.01760674       5.08733177    
 O   -3.45817399       2.88136506       2.87465596    
 H   -3.86196494       2.26639342       2.25155640    
 H   -4.13314199       3.55402303       3.04048467    
 O   -2.51345372       2.77068925       9.34275913    
 H   -1.94731879       3.28853631       9.90773106    
 H   -1.93315601       2.28698254       8.72698498    
 O   -4.91711235       1.14619660       1.10557687    
 H   -4.64631271       1.07820833      0.192889497    
 H   -5.80963326       1.53201640       1.09979308    
 O   -2.58455443      -1.19479191       7.78017473    
 H   -2.91032267      -1.12515521       6.86676455    
 H   -2.26448750      -2.08710456       7.88708687    
 O   -4.47328091       3.21337247       7.36974478    
 H   -3.81910515       3.19635510       8.08038139    
 H   -5.15394115       2.56965828       7.60539103    
 O   -6.74357367       2.13883948       4.79953432    
 H   -7.31293249       2.44803953       5.51662350    
 H   -6.36361027       1.30594027       5.10687113    
 O   -8.47683239       2.65831542       6.99459457    
 H   -8.40304184       3.61658788       7.09985256    
 H   -7.82881880       2.22307944       7.56653452    
 O   -3.52660871     -0.686782002       5.25808334    
 H   -3.84218717     -0.906232178       4.36910677    
 H   -3.26162386      0.246405527       5.25058460    
 O   -7.98545122       4.85811710       1.97772515    
 H   -8.28751278       5.60968208       1.47468185    
 H   -8.54870605       4.80641365       2.77033234    
 O   -5.71427155       5.40090132       6.16495132    
 H   -5.21924019       4.71338224       6.63129187    
 H   -5.61682272       5.20671654       5.22289896    
 O   -4.18742085      0.439935267       9.55457783    
 H   -3.68409419     -0.181055918       9.01329136    
 H   -3.62024617       1.21415472       9.65666580    
 O   -5.69532442       4.39538670       3.56365991    
 H   -6.38168240       4.67292023       2.94680667    
 H   -6.01288939       3.57031965       3.96447349    
          69
 Energy    -249.21933995174089     
  O     10.97561180      9.71868067    -11.40288915
  H     11.90578168      9.72784363    -11.12246745
  H     13.61329289      4.38261246    -11.82006618
  O     11.10197579      3.75547449    -10.59089406
  H     10.60051816     10.55412402    -11.13502024
  H     15.00126894      6.22950455    -14.80547775
  O     17.41755401      6.09923449    -12.52813890
  H     10.62507770      4.04124937    -11.37812062
  H     16.16286737      6.51781431    -13.77138020
  O     13.83734867      4.96433917    -15.62230302
  H     11.97967222      3.47865390    -10.89205111
  H     14.24171244      6.40941562    -12.86459308
  O     16.14990907      3.43927474    -10.36151858
  H     17.93522556      6.91747267    -12.55107963
  H     12.71500836      6.27610623    -12.86929023
  O     16.20885291     10.57264669    -10.14701391
  H     16.98640935      6.08633167    -11.66123970
  H     10.39013128      6.77370311    -10.19843030
  O     11.30280214      5.79842694     -8.82457808
  H     14.20265751      4.23315440    -15.09110986
  H     10.27725378      8.00710408    -11.12941348
  O     14.55572135      9.38934299    -13.48239012
  H     13.88368019      4.69089499    -16.53470491
  H     18.06214637      9.31453960    -12.52414417
  O     11.64050598      6.35040334    -14.37759284
  H     16.70730516      3.30175323    -11.13661787
  H     18.47672213      8.57576554    -11.24007755
  O     17.87019954      8.56404713     -9.39955662
  H     16.30665109      4.34822525    -10.07310525
  H     12.92647746      6.60222781     -9.27126759
  O     14.92834806      3.08571637    -14.03540487
  H     15.27752828     10.32735538    -10.21838861
  H     13.57454276      6.68160625    -10.67175391
  O     13.66979231      3.45129023    -11.56203533
  H     16.48629213     10.79337177    -11.04560382
  H     17.60585046      4.36501773    -12.84202517
  O     15.39419839      6.89174082    -14.22431777
  H     11.23954711      5.01031190     -9.39518927
  H     18.42518796      3.08002400    -13.10027782
  O     13.49344889      6.15055414    -12.31323496
  H     10.94732103      5.55079374     -7.97549097
  H     16.91184781      6.98944435     -9.66262001
  O      9.98270955      7.09633385    -11.01148459
  H     14.91339490      8.54797219    -13.80053591
  H     15.44616801      6.48934048     -9.77080326
  O     18.56058665      8.55380110    -12.20195932
  H     13.63679315      9.42660953    -13.78668839
  H     16.99740710     11.48013919    -13.52525770
  O     13.67595361      6.97451581     -9.75018461
  H     12.26482885      5.79661257    -14.86361663
  H     16.01605322     10.33653460    -13.18291759
  O     17.54425269      3.39762968    -12.91867011
  H     10.95280975      5.79020682    -13.99318063
  H      9.75454910      5.83268796    -12.17155384
  O     16.36510774      6.24593137     -9.94721399
  H     18.40451570      8.82569555     -8.65441717
  H      8.81035057      4.87538696    -12.93976149
  O     16.84902498     10.76183368    -12.91565133
  H     17.26300604      9.30304167     -9.58362214
  H     13.69127171      8.67405135    -10.35153505
  O      9.73040332      5.07315235    -12.78403968
  H     14.41397943      3.03846779    -13.21772789
  H     13.99974594      9.41017643    -11.69951056
  O     13.65889210      9.53132626    -10.80119069
  H     15.85189263      3.10225038    -13.75814263
  H     11.43232335      9.35645478    -13.26205950
  O     11.90037853      9.15554235    -14.08063664
  H     14.47748402      3.35798929    -11.03545439
  H     11.73084499      8.22252134    -14.26951208
          69
 Energy    -249.21864797817651     
  O     -4.19758109      4.10102166      2.72286339
  H     -4.41967298      4.79575849      3.33788142
  H     -1.40291673     -4.79782369      0.72644490
  O     -4.08417250     -1.89677045      5.20745735
  H     -3.75585301      3.40346451      3.23650014
  H     -3.64620416     -0.77394954      0.81519009
  O      1.10663287     -2.31832144      1.55090884
  H     -4.40324418     -2.29755237      6.01129801
  H     -3.72779866     -2.00619114      1.73457686
  O      0.08359885      3.45378320      0.53883863
  H     -3.34941951     -1.30712045      5.45834805
  H     -7.06753808      1.98404108     -1.27897392
  O     -6.02020906      2.14345201      1.68811298
  H      1.31235900     -1.75384956      0.79609632
  H     -6.20265096      1.81346529     -0.00817864
  O      0.15129947      1.65991899     -1.69502937
  H      0.44039636     -2.94259450      1.24003819
  H     -4.48945697      2.12776776     -1.33258878
  O     -2.48911357      4.23902641      0.43191584
  H      0.66715448      4.20043373      0.64155475
  H     -3.14248215      2.10297729     -2.14916294
  O     -1.13810959     -1.80275810     -1.14967292
  H     -0.82458338      3.80735127      0.49905842
  H     -3.70289852      1.27232382      3.69254335
  O     -0.38415348     -0.98737653      3.44886822
  H     -5.48288485      2.88949709      1.97985127
  H     -2.27187449      1.79061227      3.32522829
  O     -5.05652923      0.05491381      3.35257370
  H     -5.85899130      1.43622788      2.32502277
  H     -2.78134494      0.99413091     -0.33879356
  O     -2.51598348     -2.71428925      2.97514550
  H      0.65680376      0.89258035     -1.40200281
  H     -1.92284971     -0.32544456     -0.33450599
  O     -1.26873821     -3.85540490      0.79308496
  H      0.15732495      2.28467894     -0.95983117
  H     -3.85206286     -1.16753014     -2.53202576
  O     -4.26320785     -1.43260319      1.17327402
  H     -2.90939925      3.65427726     -0.21490556
  H     -2.73774275     -0.34020625     -3.23736167
  O     -6.23143883      1.64772829     -0.96775952
  H     -3.07794929      4.26933934      1.19431834
  H     -0.42520784      2.12396406      1.76784577
  O     -3.54883225      2.34497512     -1.30683933
  H     -1.31627374     -2.56475618     -0.58700644
  H     -1.44552154      0.99792772      1.49836726
  O     -3.02713157      1.92898999      3.91673600
  H     -1.79793928     -1.75504351     -1.85960198
  H      0.48590633     -1.20534722     -1.08706794
  O     -2.39449864      0.30877041      0.22106422
  H     -0.48283553     -0.11466291      3.04190751
  H      1.96003679     -1.21691286     -1.55821717
  O     -3.00220466     -1.23462202     -2.99387854
  H      0.26466019     -1.46210551      2.91064200
  H     -1.71015778      1.78977993     -4.25068886
  O     -0.91660308      1.41575299      2.19763281
  H     -4.92456637     -0.57370389      4.07116373
  H     -1.17877089      1.51382637     -2.82486630
  O      1.36553425     -0.81652911     -0.92721115
  H     -4.87686717     -0.44219316      2.54003409
  H     -2.30363462      0.66487670      5.23820277
  O     -1.96194698      1.43970563     -3.40018984
  H     -3.09888940     -2.63654558      3.73917686
  H     -1.31326826     -0.49362994      5.01915058
  O     -2.02100637     -0.18342340      5.60127228
  H     -1.78511657     -2.09607359      3.13263490
  H     -5.07876750     -1.32777962     -0.54564766
  O     -5.29378822     -1.02121321     -1.43591209
  H     -1.74778789     -3.56288347      1.58544757
  H     -5.70597302     -0.15747216     -1.31768658
          69
 Energy    -249.21768340078245     
  O      2.45694777     -0.76238419      0.94773967
  H      2.40750077     -0.00714643      1.54327730
  H      7.23389694      0.95508741      1.07564860
  O      8.98067066      3.42953040      0.80272810
  H      2.20247860     -0.45018381      0.06584976
  H      5.20093365     -2.28236054     -1.26162453
  O      2.56623005      1.58722301      2.63213402
  H      9.86846803      3.60714816      1.10214637
  H      6.39063843     -2.12175133     -2.23268291
  O      6.76542273     -2.49025839      2.51333590
  H      8.76129762      2.52579049      1.08860846
  H      3.26334481     -1.71665585     -4.37493324
  O      4.65746801      1.51066835     -3.79127811
  H      3.45381788      1.73240295      3.00959193
  H      4.28166153     -1.57539519     -3.21889355
  O      8.15067781     -1.35178801     -2.17380121
  H      1.93814554      1.91027138      3.27195106
  H      4.62961915      5.21462881     -0.99396909
  O      3.73450009      2.52137377      0.29775157
  H      6.89354900     -3.40668922      2.74443784
  H      4.59394919      4.03263416     -0.00232921
  O      6.98735830      1.11287946     -2.39074998
  H      7.41824104     -2.27920804      1.81970637
  H      3.46030788      6.22214673     -3.16172080
  O      1.96817156      0.07707623     -1.68214074
  H      4.32234887      0.61669990     -3.93766594
  H      4.47867468      5.05816893     -3.19826527
  O      5.81212736      4.13780515     -3.89298304
  H      3.98247234      1.96112001     -3.26215543
  H      5.44356464     -0.20477455      0.18035379
  O      5.07709526      2.04818744      3.49951189
  H      7.80881479     -0.44969300     -2.29807273
  H      6.13696087      0.77845775     -0.81771817
  O      8.06694628      0.98321679      1.57437601
  H      8.79694892     -1.49626538     -2.86074513
  H      8.04941531      3.68243380     -0.81454357
  O      5.45028967     -2.32643874     -2.19627647
  H      4.44962676      1.86918450      0.25754652
  H      6.58867902      4.08795663     -1.08192305
  O      3.63027758     -1.09040598     -3.75681867
  H      3.20495737      2.30331355      1.07289307
  H      8.55364518     -0.71733942      0.90195362
  O      5.11329054      4.80947219     -0.26537975
  H      7.22642493      2.00474800     -2.10191533
  H      8.42606876     -1.64077725     -0.32404249
  O      3.74326593      5.44406276     -2.68928667
  H      6.19287753      1.19417795     -2.93860515
  H      2.87085442      3.73064783     -2.43377105
  O      5.78228032      0.69474965      0.07662119
  H      2.46229430     -0.38829873     -2.36711665
  H      3.03180889      2.67563853     -1.31911332
  O      7.37204845      3.70222237     -1.50132271
  H      2.00984115      1.00830047     -1.92806797
  H      5.32387150     -2.16287105      1.25711442
  O      8.52307108     -1.64593526      0.63575948
  H      5.49481705      3.24158273     -4.06446592
  H      3.95760422     -1.58635238      0.71865280
  O      2.73521072      2.79745427     -2.23526330
  H      6.50444007      4.05507340     -3.22528547
  H      5.98129886      4.52317082      1.43233978
  O      4.84703070     -1.88888779      0.46862029
  H      5.56853139      2.76407813      3.07052474
  H      7.35493244      3.96738217      1.80776062
  O      6.46371577      4.09362716      2.14984058
  H      5.70249090      1.33894574      3.67574025
  H      6.84054952     -0.95480038      3.51451261
  O      6.99093788     -0.09362661      3.93536695
  H      7.84406123      0.72744635      2.47727966
  H      7.27775744     -0.27070442      4.82837275
          69
 Energy    -249.21739168195649     
  O     15.37576216      8.93473632    -16.30703711
  H     14.54155595      8.46124111    -16.16365821
  H     20.16008096      3.99222726    -16.00381701
  O     17.96599425      6.17291665    -11.94478548
  H     15.88239191      8.81547806    -15.49955664
  H     18.98435060      7.68171153    -16.56892145
  O     19.58456575      4.46517113    -17.55255879
  H     17.51215937      5.33018635    -12.09521382
  H     18.03126022      7.54459473    -17.80290021
  O     17.33734700      3.45185151    -18.96610239
  H     17.55838615      6.82056867    -12.53194752
  H     17.24234632      4.83723847    -15.26945162
  O     14.05094503      7.27434894    -10.20883515
  H     18.87119488      4.04253523    -18.04656438
  H     17.52740996      6.06225502    -16.19755794
  O     14.18740755      4.64291530    -13.37010691
  H     19.39681768      5.41361126    -17.56947939
  H     13.42746410      6.43617091    -15.90154401
  O     16.88167802      7.93544040    -13.95889458
  H     17.31434807      3.06603137    -19.83828332
  H     13.37669469      7.39453364    -14.69227271
  O     17.68381429      3.15031969    -14.70336803
  H     16.73326137      4.21530608    -18.98411547
  H     14.80861695      3.75925029     -9.90821546
  O     13.39010594      4.49638910    -10.64111903
  H     14.93102960      6.97217778     -9.92081238
  H     15.55674093      2.77245346     -8.97758947
  O     19.45206369      8.52913316    -14.94187665
  H     13.72770909      7.86958904     -9.53789100
  H     15.25992168      5.24922782    -15.98063071
  O     15.81985084      2.48094290    -16.72071362
  H     14.10931550      4.50951130    -14.32024600
  H     14.71130051      3.89304356    -16.44892237
  O     20.38986072      3.76801634    -15.08256049
  H     14.21721692      5.60234815    -13.23416072
  H     20.30525139      5.40678981    -14.13731425
  O     18.67867126      7.07833984    -17.25768091
  H     16.82678707      7.11789049    -14.48522751
  H     19.55633165      6.12821434    -12.98609980
  O     16.93416865      5.71888320    -15.51741379
  H     17.72733537      8.33871751    -14.19295128
  H     16.38322522      3.52099141    -11.35138237
  O     13.22758480      7.34484727    -15.64569249
  H     17.39762933      3.22138887    -13.78199898
  H     15.73257116      4.02973789    -12.66572687
  O     15.69109576      3.47210077     -9.61069205
  H     18.64523841      3.23151761    -14.73134879
  H     17.10937908      6.31093406    -10.25513459
  O     14.43695667      4.79661753    -16.22766557
  H     13.43560028      5.44258880    -10.45504821
  H     16.31616555      5.29210642     -9.41228290
  O     20.19252891      6.25965224    -13.70113726
  H     13.45868500      4.41333937    -11.60121806
  H     15.85090926      6.46900038    -18.80542243
  O     16.57555113      3.77103862    -12.26276146
  H     20.09775437      9.21842643    -14.81328252
  H     15.02043218      5.38872081    -18.07009199
  O     16.46720735      6.23742437     -9.53718259
  H     19.80159993      7.72770528    -14.50790346
  H     14.17334280      7.47038789    -12.03280012
  O     15.59589823      5.53891546    -18.82769129
  H     16.32967434      2.65821120    -17.52061752
  H     15.16477598      7.72157506    -13.21159495
  O     14.28879207      7.38249314    -12.98801982
  H     16.45826454      2.54299876    -15.99682145
  H     16.08722122      8.54685228    -17.81429746
  O     16.53284778      8.23315446    -18.62267504
  H     21.17568492      3.22925819    -15.11671264
  H     16.39647986      8.89845096    -19.29148945
          69
 Energy    -249.21733283490110     
  O     10.40399140     12.53348791    -12.34134415
  H     10.11248608     11.71884456    -11.91394972
  H      8.82365110      9.82845627    -10.73080036
  O     14.10013914      9.02975523    -17.52474331
  H     10.63202477     12.30717952    -13.25031706
  H     12.93203857     12.51436850    -14.32630094
  O     11.82093388      8.99391661    -12.44196836
  H     13.24496751      9.11417180    -17.09230338
  H     13.72177053     12.02101713    -13.08462223
  O     15.27785259      8.97803642    -15.04283021
  H     14.41831549      9.93441130    -17.67212272
  H     16.84974023     10.40891911    -11.84508887
  O     12.92312366     12.35447271     -9.45510347
  H     12.47692162      9.66176251    -12.18293788
  H     16.24949191      8.96054414    -11.88161829
  O     15.19699473     11.60401628    -17.58125961
  H     10.99461879      9.24942009    -12.01606821
  H     16.41567334      6.72275532    -13.15381109
  O     12.42772048      9.43560780    -15.07978587
  H     15.61933011      9.88027957    -14.97665139
  H     15.63654218      7.94163790    -13.70172081
  O     13.47580036      8.16147475     -8.64073065
  H     15.04168792      8.82852981    -15.96964730
  H     14.07035860     14.13142012    -12.82514682
  O     13.70316131     10.87910305    -11.70966323
  H     12.51894977     13.14673164     -9.83134369
  H     13.34814974     14.78586776    -11.64531448
  O     11.40052053     10.10045709     -8.92331722
  H     13.75927183     12.59976386     -9.03970727
  H     14.34268366      7.20580608    -11.75532286
  O     16.39209192     13.48709782    -10.99304058
  H     15.67317215     12.20097278    -18.15354877
  H     12.88289830      7.69742628    -11.66086556
  O      9.69286593     10.10753615    -11.00421950
  H     15.60091925     11.69821254    -16.70507136
  H     17.25668689     12.48542957    -12.05658586
  O     13.76422582     12.61457858    -13.85103539
  H     13.38632500      9.34051550    -15.02053138
  H     18.64597639     12.05137728    -12.58457226
  O     16.27156834      9.78778239    -11.38471474
  H     12.09232319      9.14652113    -14.21806819
  H     10.92655181     12.15883541    -15.84925603
  O     15.86756583      7.45703532    -12.88945089
  H     13.53086044      7.78881342     -9.53861456
  H     11.66649343     11.02488950    -15.10021473
  O     14.19853254     14.75637993    -12.09810148
  H     13.42360308      7.42051886     -8.04219225
  H     15.83762476     12.96407059     -7.55747647
  O     13.56917701      7.21338809    -11.18082230
  H     14.58016076     10.50497307    -11.55759467
  H     15.58282651     11.70817586     -8.42853204
  O     17.71563491     11.85196071    -12.64140922
  H     13.44790761     11.37129403    -10.91830785
  H     15.26016344     12.05893541    -14.58866376
  O     11.30188889     11.92187918    -15.00513294
  H     11.89714112     10.92856372     -8.99035933
  H     16.73702803     11.75672934    -14.22937444
  O     15.48828293     12.67847566     -8.39692604
  H     12.05781940      9.40899969     -8.78203147
  H     14.90970817      9.39527816     -8.57786282
  O     16.07484635     11.64954969    -14.92184131
  H     15.66166048     14.01323541    -11.35064845
  H     15.97809543      9.87165523     -9.58176189
  O     15.64774919     10.00745702     -8.68256242
  H     16.14799763     13.25611554    -10.09054273
  H     11.17830457     13.77563623    -11.40655083
  O     11.64381559     14.41424976    -10.83615481
  H     10.25765406     10.09265257    -10.20908762
  H     11.00714233     15.08167590    -10.59559112
          69
 Energy    -249.21729839806454     
  O     13.33349167     11.68492185    -15.14105849
  H     14.26586828     11.91189765    -15.23263851
  H     12.78702178      6.08784454    -15.47811475
  O     15.03196288      6.40686009    -13.44335108
  H     13.17979728     10.92295593    -15.71426830
  H     19.51280669      5.61605366    -16.05174650
  O     18.31052345      8.98124947    -12.35303919
  H     15.96957571      6.18789641    -13.36507787
  H     18.27607422      6.52643635    -16.22975972
  O     17.33915522      9.85623403    -16.30727245
  H     14.63266400      5.95875386    -14.20331032
  H     16.59672065     13.06957818    -14.98250371
  O     11.32251079      7.31008145    -15.24524005
  H     18.47252606      8.93680632    -11.40262086
  H     16.23788047     11.78037843    -14.20860264
  O     15.89421589      9.21967295     -8.90134245
  H     17.58465155      9.60580975    -12.48613592
  H     16.04221786      8.95017141    -15.28398243
  O     13.68559603      7.52092624    -11.34262829
  H     17.02596062     10.72908824    -16.04902092
  H     15.26320089      7.95623726    -14.32449192
  O     16.10919006     10.62800831    -12.83780765
  H     18.16584066      9.68023373    -15.82897891
  H     12.63619346     11.45559460    -13.54357669
  O     14.36262996      7.18694013    -17.97083717
  H     10.41228895      7.06550471    -15.38779169
  H     11.57961221     11.97049350    -12.54231214
  O     15.00648415      6.49784408     -9.09377445
  H     11.36730170      7.71223530    -14.35846101
  H     17.57304450      5.97277313    -11.18793102
  O     17.12836916      7.28484059    -17.30127443
  H     15.30204882      9.71953794     -9.47748372
  H     17.91706020      6.86859405     -9.98069548
  O     13.62077590      5.63112534    -15.65203332
  H     15.51200579      8.33555751     -8.82885994
  H     11.70440218      9.45458460    -12.79685454
  O     18.94469894      6.22568818    -15.58843437
  H     14.01079042      7.10316734    -10.53661592
  H     12.19161877      8.09316994    -12.25381094
  O     16.20016349     12.20727761    -15.08175942
  H     14.15257461      7.10177810    -12.08164564
  H     19.49820812      8.04916753    -15.11546992
  O     15.27238456      8.84197190    -14.70975412
  H     15.51424189     10.60949346    -12.07808847
  H     19.24632567      9.03630287    -13.95717143
  O     12.23545780     11.29010220    -12.67261915
  H     15.74150626      9.99501884    -13.47704926
  H     18.20537838      6.15824099    -13.89318212
  O     17.43257233      6.07407137    -10.23824524
  H     14.02244296      7.15973206    -18.86201642
  H     17.92446105      7.24765958    -12.82843161
  O     11.55027369      8.50440300    -12.84934504
  H     13.93287084      7.93915038    -17.53278604
  H     19.06016732      8.95923028     -8.89313096
  O     19.50828518      8.98646854    -14.88695903
  H     15.85440766      6.25863086     -9.50992290
  H     17.56767355      8.94743745     -9.30517637
  O     17.75856776      6.31971932    -13.05286295
  H     14.81777378      5.82507176     -8.44549368
  H     14.01609746      9.27982288    -11.06894799
  O     18.46250925      8.67718216     -9.57998714
  H     17.24139121      8.23628088    -17.16274368
  H     13.48121689     10.69320190    -11.39616560
  O     14.17211567     10.22447817    -10.91178218
  H     16.21155909      7.16552699    -17.57220215
  H     12.41719187      8.57969907    -16.05754368
  O     13.13803611      9.13057542    -16.39090930
  H     13.93402502      5.98881949    -16.49072783
  H     13.86246025      9.05202802    -15.74713308
          69
 Energy    -249.21711966213721     
  O     12.03409629     12.18552560    -14.18638888
  H     11.76937541     11.52180911    -13.52401246
  H     20.53853220      8.52830140    -13.81382272
  O     20.33974341      9.42071229    -10.72386767
  H     11.22933266     12.53838025    -14.55704408
  H     15.05117816      6.93146881    -14.07750276
  O     17.04184810     11.40491990    -11.95223490
  H     20.31480747      8.46114210    -10.83531301
  H     14.40939299      7.47613495    -15.34461446
  O     12.95480181      8.03678448    -12.37486268
  H     19.52825205      9.65337274    -10.25914518
  H     14.12470992      9.34246368    -12.65430683
  O     17.36859420      7.17945977    -10.69665977
  H     16.25149995     10.92066895    -12.23127446
  H     14.65501906     10.40692574    -13.67290009
  O     14.57125719      7.56715340    -10.17932444
  H     16.83954712     12.34552275    -12.04289421
  H     16.04850797      9.95458227     -8.91906789
  O     20.05238748      6.66431325    -11.42186019
  H     13.43474758      7.72604578    -11.59150884
  H     15.16842863      9.95495471     -7.65007636
  O     14.37380845     11.11880585    -15.29516528
  H     13.23765035      7.52021426    -13.14306691
  H     21.93357602     10.62745194    -13.18923745
  O     17.87381294      8.62990534    -15.44643083
  H     17.06866854      7.33470094    -11.60785358
  H     20.81444056     10.05568325    -12.28633706
  O     17.63230147      9.80271120     -9.77413568
  H     18.26886009      6.84676489    -10.78489873
  H     17.31067041     12.27843041    -15.00912409
  O     15.23625169      8.83610094    -16.56402173
  H     14.62505445      8.31920969     -9.57895452
  H     16.44338418     13.35177701    -14.32984974
  O     20.12670910      7.66778401    -13.96435101
  H     15.47672003      7.24367695    -10.26301756
  H     15.30453233     13.93947054    -12.43493985
  O     14.22130198      6.93025965    -14.57330622
  H     20.64412823      5.91961718    -11.35545406
  H     16.49943431     14.90747243    -12.25026438
  O     14.80733504     10.01498820    -12.80211569
  H     20.04446529      6.93144888    -12.35835773
  H     13.56817116     12.91721302    -11.49586039
  O     15.12973536      9.95580401     -8.60347149
  H     13.54338987     11.54512207    -15.04888291
  H     13.07392311     13.22471551    -12.92379746
  O     21.04526328     10.28168169    -13.20541464
  H     15.08088046     11.78417747    -15.31009179
  H     18.07706766     11.14046601    -13.43488987
  O     16.50436440     12.79931745    -15.11917530
  H     17.04861924      8.68391366    -15.94356608
  H     19.48631406     10.89793780    -14.00639088
  O     16.26718687     14.03420122    -12.55334680
  H     18.09044678      9.52455392    -15.14266804
  H     11.96081678     10.74795373    -11.44932278
  O     13.64078420     13.55655307    -12.21850207
  H     17.48926013     10.39643852    -10.52664696
  H     11.78257988      9.48584530    -12.30331923
  O     18.56936621     11.05529235    -14.26419161
  H     17.54006509      8.89094457    -10.09175074
  H     14.05153184     10.94490048     -9.78406537
  O     11.48247197     10.40125765    -12.21282519
  H     15.00153458      8.84767661    -17.48926596
  H     14.02227573     10.89919554    -11.32106849
  O     13.60750578     11.31852224    -10.55424467
  H     14.88350690      9.65565988    -16.17932632
  H     15.95279211      8.55425026    -13.04715712
  O     16.52476460      7.78879305    -13.18667419
  H     19.41977621      7.82723027    -14.60073744
  H     17.08575918      8.00235383    -13.94339380
          69
 Energy    -249.21680168928526     
  O     14.60209138     12.39174260    -12.05843401
  H     15.39498379     11.85068894    -11.95237099
  H     10.35735686      4.91593175    -10.55818026
  O     17.52951043      9.71736505     -7.82337268
  H     14.34389472     12.66283794    -11.16905395
  H     12.94235811      5.85355178    -14.29613839
  O     16.69562585      6.09246635    -11.49868043
  H     18.14722406      9.89084469     -8.54371065
  H     14.27910030      6.20436044    -15.01083711
  O     13.45997169      4.62480084    -10.49850983
  H     16.66934163     10.04027655     -8.12821086
  H     11.05649900     10.35467804     -9.86377394
  O     18.83801953      7.13547999    -10.00458237
  H     16.29292905      5.35504964    -11.97345917
  H     11.77564673     11.08168777    -11.00543653
  O     17.40494196      7.03614137     -7.50507501
  H     16.18335818      6.19973369    -10.68384340
  H     15.38090671      8.29897656    -16.20748505
  O     16.64708522     10.48323264    -11.37129670
  H     13.98942372      4.35193053    -11.25734274
  H     15.79376014      7.91240195    -14.77899738
  O     13.55394432     12.73737320     -9.36228242
  H     14.06449778      5.09346481     -9.90812196
  H     19.08065992      8.85790590    -10.20390054
  O     10.65719190      8.38401334    -10.18469628
  H     18.46613617      6.98227218     -9.12722469
  H     20.03826408     10.06214442    -10.36551134
  O     15.12716256     10.45766413     -9.01216749
  H     18.24162489      6.69074352    -10.62096155
  H     15.91584051      6.52050667     -8.47875317
  O     13.71637667      8.27183138    -12.29817110
  H     17.70079415      6.77480058     -6.63744133
  H     14.60546922      7.04312024     -9.15482596
  O     10.97171829      5.61577573    -10.76398197
  H     17.43867173      8.00952942     -7.53394115
  H     13.19319627     11.40256722    -12.61264162
  O     13.79384018      5.49207118    -14.57022585
  H     16.09677420     10.43455554    -10.57650654
  H     12.97843261      9.87447808    -12.56573203
  O     11.43910390     11.20325463    -10.10551163
  H     17.55745485     10.37446329    -11.06698938
  H     11.33193531      6.25153747    -12.48793862
  O     15.30980194      7.60176925    -15.56049038
  H     12.73660925     12.23819943     -9.53961128
  H     11.06021335      7.51097771    -13.34242089
  O     19.12477573      9.83100862    -10.22129741
  H     13.30089313     13.52040345     -8.88119893
  H      9.50304714      9.64369583    -13.31186044
  O     15.23317416      6.30688225     -9.12639561
  H     10.69680072      7.41994792    -10.24697418
  H     10.99970884      9.83105336    -12.97668260
  O     12.51291302     10.71770781    -12.67467565
  H     10.44662459      8.67938415    -11.08002643
  H     14.67214107      4.56745897    -13.42851685
  O     11.59210782      6.70650799    -13.30020314
  H     14.48511498      9.74416679     -9.13107302
  H     15.40039308      3.24278039    -13.09733999
  O     10.26386330      9.19568730    -12.95069092
  H     14.63520543     11.28796510     -9.02142660
  H     12.47237416      8.39998078     -9.55341691
  O     15.15743317      4.08884023    -12.73163265
  H     13.14248155      7.61757323    -12.71322429
  H     13.62594729      8.30439590    -10.54896338
  O     13.43285808      8.35226124     -9.59839628
  H     14.59954857      8.20997502    -12.68111956
  H     16.58583045      7.54497968    -12.56714117
  O     16.36273295      8.31765223    -13.10673013
  H     11.86456251      5.24982370    -10.62643539
  H     16.50616988      9.10680999    -12.56673675
          69
 Energy    -249.21676804589924     
  O     -2.15538752      6.92618797    -11.10441316
  H     -2.28643428      7.22697473    -12.00986857
  H     -7.39539768      5.18515953     -9.78677252
  O     -7.74704267      8.42175480     -9.20696455
  H     -1.54212354      7.54400794    -10.68714406
  H     -5.82691447      5.20172890     -6.66949683
  O     -4.51834350      9.54210291    -11.15726791
  H     -8.18434571      7.90868373     -8.51783102
  H     -6.95448507      6.23437029     -6.48513307
  O     -7.24113897      9.54094669    -13.72087394
  H     -7.26167817      7.77846647     -9.74764359
  H     -4.72129188      3.08990655     -7.82204966
  O     -2.00218991     10.72843048    -11.02967835
  H     -4.74882991     10.21590250    -11.81066795
  H     -4.71427852      4.48019077     -8.49452295
  O     -2.76384922      7.82368293    -13.81063212
  H     -4.73846280      8.70094546    -11.57123173
  H     -0.95205420      8.96374444     -8.86414209
  O     -3.68782878     12.66402269     -9.84472635
  H     -7.56564672      9.80190663    -12.83860428
  H      0.43624155      8.66765117     -9.47868546
  O     -8.66994996      6.49402609     -7.35734458
  H     -7.99967300      9.50900153    -14.29721152
  H     -4.44676340     10.92133352     -7.65852777
  O     -5.42663277      9.74645390     -8.55732992
  H     -1.34118392     10.17163399    -10.60209262
  H     -4.11794227     11.77954062     -6.41477200
  O     -7.93385471     10.38393899    -11.24964346
  H     -2.82276946     10.21122325    -11.02401349
  H     -2.15583991     10.71961013    -12.90590389
  O     -1.89499857      9.32043269     -7.46038656
  H     -2.26974422      7.46625377    -14.54387392
  H     -3.41514095     10.94033488    -13.75821660
  O     -7.76505492      4.61138184     -9.10058210
  H     -2.65293118      8.79008231    -13.84337810
  H     -4.55574103      7.56466256    -13.39589939
  O     -6.05540499      6.01950552     -6.20983184
  H     -2.99682965     12.14846507    -10.28078817
  H     -6.00745846      8.16438001    -13.36607324
  O     -5.25409363      3.86756149     -7.96621101
  H     -3.64601494     12.41841285     -8.91220575
  H     -5.29307881     12.70051951    -10.53191349
  O     -0.48267592      8.79015226     -9.70058562
  H     -8.44514930      5.77237834     -7.97266033
  H     -6.52900363     13.56721245    -10.85428658
  O     -3.77942559     11.51099456     -7.26537149
  H     -9.50732818      6.26680824     -6.96204788
  H     -5.54962428     11.98840927    -12.58422278
  O     -2.53913396     10.53206867    -13.77390437
  H     -5.05725655      9.73270020     -9.45298450
  H     -5.90059898     10.83725477    -13.56825376
  O     -5.41928952      7.51041303    -12.96657386
  H     -6.31071743      9.36475198     -8.63083313
  H     -3.28910278      6.14871407     -9.98424923
  O     -6.16590295     12.69188201    -10.96370732
  H     -7.38233929     11.12897948    -10.98324991
  H     -3.91819781      6.49838436     -8.59923048
  O     -5.17476147     11.38295911    -13.23770618
  H     -7.96956843      9.76976005    -10.50522347
  H     -4.76178996      7.14153140     -6.73849149
  O     -3.94909465      5.86849438     -9.33373857
  H     -2.36027371     10.15821518     -7.35960467
  H     -4.59794398      8.37852586     -7.67005643
  O     -4.11403841      7.66350381     -7.23387013
  H     -2.55152091      8.63803598     -7.26051906
  H     -6.10975194      6.71795853    -11.52399793
  O     -6.34313269      6.49042237    -10.61445879
  H     -7.00107412      4.16741958     -8.71143954
  H     -5.51512248      6.27233530    -10.16357003
          69
 Energy    -249.21659256536310     
  O     14.04443201      9.99169892    -11.26873438
  H     13.62751784     10.13016352    -12.13122103
  H     16.80863932      4.14087941    -15.25434860
  O     13.26717557      8.93455032    -17.16155323
  H     13.50406797      9.35371834    -10.77981759
  H     19.19641334      4.82173068     -9.71629539
  O     15.85424385     11.22047419    -14.12675065
  H     12.83008268      9.76626954    -16.93993907
  H     18.64870335      5.51047606    -10.98913733
  O     14.48433941      4.33181403    -12.54129797
  H     13.11896571      8.35024089    -16.40730974
  H     12.75417262      7.17191279    -10.82072082
  O     17.57174277      7.88491360     -8.94991718
  H     14.96808883     10.83567154    -14.06141230
  H     13.53097276      7.52111400     -9.50862024
  O     15.02050214     12.15161573    -16.65985261
  H     16.09506228     11.49713692    -13.23584179
  H     18.62759152      8.61391223    -14.36302016
  O     15.74335667      7.75213099    -11.94794388
  H     14.93132779      4.56187262    -11.71299783
  H     18.87164110      8.73843026    -12.84442268
  O     13.23298101     10.22599104    -13.89310567
  H     15.17948798      4.26935255    -13.20568288
  H     13.30390892     11.85613413    -16.43806591
  O     17.91026893      9.38869957    -11.32372454
  H     18.00853727      7.06644073     -9.21973489
  H     11.79500926     12.18829529    -16.54872021
  O     16.20554631     11.64704279    -11.34541378
  H     17.78010951      8.52218125     -9.64468784
  H     14.09129495      7.35772620    -14.71743245
  O     18.69284323      5.64217589    -12.68135091
  H     15.36365192     11.43309096    -17.20602110
  H     12.78890523      7.05962574    -13.93323766
  O     16.64415653      4.55377749    -14.41030659
  H     15.42250800     12.02840722    -15.78923513
  H     15.90861076      9.48985244    -18.85475292
  O     18.52110886      5.41827585    -10.02593825
  H     15.08153170      8.38650441    -11.64765675
  H     14.89643828      9.34726595    -17.69388602
  O     12.87369743      7.84325709    -10.13773246
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  H     13.12859892      5.40239942    -12.47074022
  O     19.10178844      8.21594859    -13.62394091
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  H     11.59716346      5.55487233    -12.33062030
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  H     13.17166367      9.29431813    -14.14966001
  H     14.90417540      7.16414496     -7.38624510
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  H     17.48517561     10.25402392    -11.29856431
  H     15.90759923      7.51429105     -8.50898357
  O     15.77597375      9.69062628    -17.93209606
  H     17.21969064      8.76297748    -11.59421821
  H     15.41531257      5.82565583     -9.54203562
  O     12.40929350      6.05360546    -12.38275385
  H     16.11557088     12.40671958    -10.77637080
  H     16.70181132      5.27301662    -10.20877139
  O     15.01496442      7.16469746     -8.33336914
  H     15.41665837     11.09289569    -11.20505771
  H     15.86190535      7.33638680    -13.64838080
  O     15.74792837      5.37670606    -10.32929416
  H     18.88772300      6.50725047    -13.07178048
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  H     18.07547734      5.19690237    -13.27013713
  H     16.87263343     10.00371260    -15.02677278
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  H     16.36822685      5.46887066    -14.59415719
  H     16.90971064      9.42111509    -16.45818763
          69
 Energy    -249.21595247982236     
  O     11.86276882      7.00135058    -14.87658240
  H     11.82504748      7.89466757    -14.51608298
  H     11.72799434      6.01791717     -8.35622377
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  H     13.02260559      8.14081038     -8.56406140
  O     16.98475361      5.49018345    -11.51038913
  H     10.75573820      8.46800838    -10.98404781
  H     12.64731995      9.18028285     -9.63925070
  O     12.15721695      3.20219039     -9.65635325
  H     11.49174914      9.51528700    -11.81644287
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  O     15.99278408      8.57010641     -8.95381087
  H     16.92129355      6.45432430    -11.57123881
  H     12.57439493      3.48590695    -11.36213964
  O     17.18522483      6.95449670    -16.03183936
  H     17.84070131      5.24893329    -11.88603075
  H     13.22362384      5.47120659    -11.39339961
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  H     12.87264113      3.38817767     -9.03486073
  H     13.23964007      6.36050733    -10.10231868
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  H     11.41286220      3.74791359     -9.37583249
  H     20.10560405      4.49868573    -12.98598815
  O     10.16324733      5.17891083     -8.95991934
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  O     13.32180521      8.95927833     -8.98359757
  H     12.39636016     10.41643476    -14.03989541
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  H      9.27612715      5.20468240     -8.61149208
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  H     10.15175619      5.66977078     -9.79949937
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  H     14.80875260      5.71828209    -14.46440673
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  H     13.16051187      5.61700413     -7.94054262
  H     11.44718572      6.61807669    -11.23931031
          69
 Energy    -249.21568621937280     
  O     12.93619668      9.88612640    -11.60918143
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  H     12.96913339      7.83356410    -14.43646614
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          69
 Energy    -249.21557662404894     
  O      0.56061982      0.40785966      2.39627324
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  O      1.32795999      1.63081498     -0.08206220
  H     -6.31180873      1.97339572      3.42424533
  H     -1.90257481     -1.94188838      1.52908289
  O     -1.34730248     -3.66940550      3.98552766
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  O     -5.91133999     -0.15689144      1.17141942
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          69
 Energy    -249.21523532595242     
  O     -9.04895671     -1.85993466      6.10501835
  H     -8.31131320     -1.47291903      6.59209977
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  O     -9.65898059     -2.61671153      1.81692155
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  O     -8.46994624     -3.69418611      4.20060380
  H     -9.30522901     -3.09377967      2.57609985
  H     -2.68915202      1.22973591      3.89313309
  O     -4.39808819      0.36303889      1.34118273
  H    -10.07925242     -1.82940979      2.19018851
  H     -7.16700884     -0.67829273      3.44981803
  O     -7.45080697      1.53909159      5.81044337
  H     -8.72106979     -3.05150581      4.88927029
  H     -7.37883176      0.65023499      2.66313680
  O     -4.76530244      4.87582923      0.75002800
  H     -8.63765280     -4.56037885      4.56154544
  H     -6.03032894     -0.82999225      6.77190246
  O     -8.77540638      1.06469423     -0.61686941
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  H     -6.44009193     -0.82192241      8.26482124
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  H     -8.57171562      4.11568985      2.76453725
  O     -3.23102528      2.61127040      0.16042216
  H     -7.23519429      0.88891409      6.48810713
  H    -10.57457578      1.15256840      1.91205849
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  H     -4.15643264      5.60982150      0.78925811
  H    -10.19410167      2.64924816      1.83968504
  O     -5.37611244     -2.21885850      0.77648155
  H     -4.22675972      4.09787456      0.53641410
  H     -6.92376135     -2.86683368      3.65211918
  O     -3.61594964      1.00235792      3.92612495
  H     -9.05342571      1.36934385     -1.47586519
  H     -5.91193603     -2.36769119      2.55908803
  O     -7.66751781      0.14690530      3.43549121
  H     -9.45141300      1.36129253      0.02028935
  H     -8.51451729     -1.99888186      0.58515223
  O     -6.77557468     -0.68410721      7.38353572
  H    -11.90911061      0.21526423      6.26095681
  H     -8.20622094     -0.74551390     -0.27474534
  O     -9.52275016      4.03645916      2.94751612
  H    -10.74266507      1.04760355      5.67907497
  H     -9.88738000      3.08423558      4.59050183
  O    -10.45949347      1.89450737      1.30124977
  H     -4.36891925     -0.30935558      5.09779232
  H     -9.07117678      2.33262569      5.65939638
  O     -6.19703392     -2.25494375      3.47363310
  H     -5.23258950     -1.55694486      4.84430817
  H     -6.15141767      2.62744005      5.11171497
  O     -7.85137768     -1.59547401      0.00404901
  H     -2.80648150      2.37261178     -0.66081634
  H     -4.82243319      2.42458634      4.36185510
  O     -9.97310567      2.58266200      5.40837420
  H     -3.56661879      1.78177910      0.53225534
  H     -6.84625302      2.51914263      1.58244180
  O     -5.50664144      3.07731283      4.54808763
  H     -9.44105184     -0.11804725      3.22223369
  H     -7.43169970      1.50139585      0.53515869
  O     -6.79023002      1.61454954      1.24740471
  H    -10.79825959     -0.17218146      3.95666850
  H     -6.35187727      3.82314664      3.21301634
  O     -6.82719532      4.12053480      2.41940708
  H     -5.06515723     -2.94204573      0.23949645
  H     -6.17098058      4.50244093      1.82051510
          69
 Energy    -249.21495402956998     
  O     14.16368428     14.39674605    -12.46102327
  H     14.93845238     14.47755844    -13.03300039
  H     12.26279917     12.41105716    -14.00411367
  O     13.11368031     11.02681288    -17.51081850
  H     13.40702806     14.41537198    -13.05830905
  H     13.38494534     12.74960682    -17.02268991
  O     15.02627877      8.38383505    -12.49027415
  H     12.53452348     10.47578818    -16.97273075
  H     14.57208647     13.71869037    -16.81872051
  O     18.70855777     13.45410996    -12.75929588
  H     13.99925719     10.66039618    -17.38517799
  H     12.67464510     14.05422483    -15.29601091
  O     11.92811558      9.36438029    -15.43527751
  H     14.73702605      7.51544842    -12.18465611
  H     11.41669463     14.75907809    -14.73341302
  O     13.78864551      5.95037082    -11.83176434
  H     14.39466432      9.02903069    -12.13874347
  H     18.97840572     12.08132695    -14.10214163
  O     12.87605019      5.82795334    -14.38448326
  H     19.34434331     14.04934725    -12.36939252
  H     18.35490543     10.68446448    -14.12246617
  O     15.31422300     11.53620536    -14.28040290
  H     18.30806881     12.95570960    -12.02784033
  H     14.23917239     11.55080990    -10.92387050
  O     13.11837671     10.15509472    -11.50969189
  H     12.76796157      8.88245358    -15.41637849
  H     14.54721431     13.02271328    -11.33078762
  O     14.39634354      8.05155642    -15.22954001
  H     12.04911994     10.14418536    -14.87268712
  H     15.47504261     10.66090921    -15.82871671
  O     18.04529022     11.56242774    -17.21867425
  H     13.97385895      5.09685988    -11.45062380
  H     16.47456159     10.46184116    -16.98038456
  O     12.57713306     11.51289184    -13.84974577
  H     13.47660238      5.79230099    -12.74119827
  H     10.91443536      8.15512717    -14.62792938
  O     13.62658699     13.62257998    -16.67687574
  H     11.99980932      6.23304209    -14.35365928
  H      9.61820988      7.33637081    -14.43371494
  O     12.14479063     14.19482650    -14.48957949
  H     13.44255841      6.46203946    -14.84543520
  H     16.53394124     12.08222447    -10.76357116
  O     18.86075959     11.30701859    -14.66369356
  H     15.60306933     12.45617792    -14.23684883
  H     17.76014026     11.74010414     -9.88126923
  O     14.87453973     12.26874662    -10.81855591
  H     15.92315333     11.02434089    -13.73330933
  H     17.22377625     13.99920588    -13.76532602
  O     15.64605039     10.12906890    -16.62312084
  H     12.80234432     10.65797933    -12.27417108
  H     16.51087498     14.19636790    -15.14371070
  O     10.51490300      7.42682106    -14.12206350
  H     12.50344899      9.41819989    -11.38121523
  H     17.31966608     10.53029458    -12.04382858
  O     17.49827155     11.92480879    -10.77881068
  H     14.67122312      8.20707815    -14.31505180
  H     16.53887880      9.32155608    -12.65391721
  O     16.36945665     14.14577247    -14.19004585
  H     14.93614574      8.61890493    -15.79443666
  H     11.14993291      7.71452190    -12.32534620
  O     17.19568880     10.00658819    -12.84524613
  H     18.73851931     11.26341703    -17.80093891
  H     12.28311688      7.14477673    -11.45785016
  O     11.61774252      7.84252507    -11.49075498
  H     18.37684720     11.45539526    -16.30779449
  H     17.05120974     13.09447264    -17.12880268
  O     16.54357183     13.90871507    -16.98878701
  H     13.53349849     11.52921198    -14.01077349
  H     16.77248233     14.49969355    -17.70299424
          69
 Energy    -249.21490417311512     
  O     14.86297111     12.24649952    -16.74926292
  H     14.42448981     13.06672855    -16.95912577
  H     18.53037965     10.26018888    -19.01044609
  O     15.67670642      6.24579893    -13.14441601
  H     14.37306561     11.85089550    -16.00634922
  H     17.29308413      7.95938263    -15.42452295
  O     19.09919178      8.83989487    -12.38809675
  H     16.41634922      6.24665369    -12.51911283
  H     16.32971752      7.49947882    -14.27401526
  O     16.54772205      5.79542025    -17.57745331
  H     14.99780139      6.83964581    -12.79935096
  H     13.98477409     11.07018782    -13.85104331
  O     15.74515278     10.82007963     -9.66050321
  H     18.55496601      9.52020069    -12.81217155
  H     13.12969038     10.21067861    -14.80863514
  O     13.84775661      8.20369694    -12.39863217
  H     19.63920764      8.45694516    -13.08961826
  H     16.14769367      7.33154911     -9.21112990
  O     17.39589326     10.54616388    -13.74386453
  H     16.55022454      5.12754548    -18.25733839
  H     16.96077356      6.52068258     -8.17233681
  O     14.67645521      8.15924444     -9.66901504
  H     16.62357297      5.32782829    -16.72307382
  H     13.23458377      8.07730941    -15.65345618
  O     18.54773612      7.62227569    -16.73037126
  H     15.77241720     11.50121526     -8.99423935
  H     11.73969849      8.07377428    -15.26715762
  O     16.82516934      4.69435704    -15.16354353
  H     16.63951883     10.43654171     -9.70839203
  H     21.25501076      7.65866210    -14.95470241
  O     19.18721071      5.07330100    -13.74048446
  H     14.28571225      9.06821460    -12.39527563
  H     19.78495546      7.58315295    -15.41925804
  O     18.15329818      9.95110834    -18.19076376
  H     13.30351699      8.18378982    -13.19432598
  H     17.68753318      6.48657866    -10.64491938
  O     16.55630051      8.23247291    -14.86277612
  H     17.04375576      9.73349374    -14.14326941
  H     18.31910721      7.26750902    -11.83048986
  O     13.53938172     11.07686181    -14.70920708
  H     17.57477238     11.14713032    -14.47961629
  H     17.90451821      8.65754117     -9.42484569
  O     17.03515974      6.99073584     -8.99805571
  H     14.25305731      8.06110743    -10.53059509
  H     18.60158515      9.36167438    -10.60990452
  O     12.60171070      8.35849451    -14.97276741
  H     14.90011894      9.09544414     -9.58736961
  H     15.17142711     10.78012914    -17.85544289
  O     20.35970641      7.56577798    -14.63667009
  H     17.96751434      6.95887613    -17.12627105
  H     15.05631124      9.23708482    -17.87651741
  O     17.94030223      6.41459421    -11.57325992
  H     18.47546896      8.42857360    -17.26139527
  H     15.89369413     10.75437826    -12.81033353
  O     18.13161092      9.52514454     -9.78296131
  H     17.70582411      4.69530401    -14.76140157
  H     15.20546011     10.89351856    -11.42792642
  O     15.45842167      9.98814883    -18.32968743
  H     16.24535210      5.07743533    -14.49260627
  H     16.71394824     12.12868685    -16.31783858
  O     15.03384997     10.73613253    -12.36381633
  H     19.70504461      5.82400710    -14.05156333
  H     17.93211920     11.31427752    -16.78422562
  O     17.63460297     11.92791320    -16.10325403
  H     18.81508363      5.36069081    -12.89570738
  H     15.25317260      8.07008694    -16.05768218
  O     14.64199356      7.76886975    -16.74995778
  H     17.18571291      9.94786700    -18.30988049
  H     15.09411807      7.02363906    -17.16229339
          69
 Energy    -249.21467482980268     
  O     16.34152291      8.62480261    -11.91272028
  H     16.10043652      9.37373885    -12.47060557
  H     13.62847594     10.76786394    -10.00485802
  O     15.59726844      7.19109878     -5.31870782
  H     15.73620650      7.88387889    -12.05639027
  H     12.32162302     10.86229276     -6.51568082
  O     16.04470802     11.05730425    -13.20978722
  H     16.00034743      6.60986628     -4.67933094
  H     13.02984109     10.24150406     -7.74116777
  O     13.03985233      7.41936494     -6.53562702
  H     16.00302837      6.98755382     -6.17971484
  H     16.60100334      4.22829287     -9.93138504
  O     14.96818203      6.24860512    -12.00394045
  H     16.03591568     11.44362341    -14.08071881
  H     17.53980608      4.33446086    -11.14181987
  O     18.83211594      7.54241993    -11.87613810
  H     16.89670766     11.29741662    -12.79844814
  H     17.39149934      6.60598831     -8.23658788
  O     20.35749444      9.79596581    -11.13585999
  H     13.84638759      7.26231211     -6.03005489
  H     16.18407262      7.57189621     -8.29682580
  O     18.83932731      6.36173729     -9.28692472
  H     12.93547971      8.37816183     -6.57100223
  H     17.27753390     11.91633404     -8.75406419
  O     12.36453365      5.90232247     -8.66666159
  H     14.95020239      5.86320813    -11.11454883
  H     17.29397413     13.44211477     -8.99128252
  O     14.69573925     11.93055107    -10.83070686
  H     15.71697485      5.83257650    -12.44826652
  H     17.93382332      4.92572808    -13.64716455
  O     12.72533790      7.73323882    -10.83321138
  H     19.47938089      8.24844725    -11.76749452
  H     18.09668506      6.03306974    -12.58426047
  O     13.21892337     10.07475990     -9.46467671
  H     17.96471604      7.97883800    -11.89714468
  H     16.02909759      8.88395398    -10.18862904
  O     13.00425231     10.24586867     -6.76826200
  H     20.15137782      9.58429456    -10.20675068
  H     14.87029283      9.31532380     -9.25236021
  O     17.51821421      4.10069634    -10.20583852
  H     21.28972669      9.99316623    -11.17157100
  H     19.01947698     11.04393158    -11.63525703
  O     16.53007078      6.78930061     -7.83938086
  H     18.88025430      6.80250977    -10.14615450
  H     17.99701244     12.01910725    -11.00108557
  O     17.14738354     12.60567883     -9.42630776
  H     18.52315153      5.46741793     -9.48501183
  H     14.76199913     10.20753971     -5.97134992
  O     17.54446694      5.27972788    -12.85112320
  H     12.58235567      6.44056264     -7.88430951
  H     15.67493151      9.11664845     -5.39090016
  O     15.76896559      8.96565752     -9.26162455
  H     11.56955040      5.42012334     -8.45573498
  H     14.03341554      5.23489419     -9.16910320
  O     18.29471567     11.64588591    -11.84101213
  H     15.46562057     12.21406327    -10.32300644
  H     15.47659159      5.66178177     -8.82755955
  O     15.65009494     10.05223105     -5.62633265
  H     15.03212919     11.69002148    -11.70198247
  H     19.43943241      8.12509729     -8.61499529
  O     14.95342448      5.12366404     -9.43862812
  H     12.51265941      7.11082726    -10.12486508
  H     18.94609683      9.53868239     -8.18946518
  O     19.66123652      9.06319141     -8.63215059
  H     13.34672060      7.26984501    -11.40424895
  H     16.91934024     10.44523205     -6.86357826
  O     17.39480407     10.48976137     -7.70479929
  H     12.95799021      9.33361312    -10.03099591
  H     16.86073191      9.95933285     -8.31741577
          69
 Energy    -249.21425322417849     
  O     13.63117813      2.79638985     -9.99736122
  H     14.08729037      1.95213265     -9.89574071
  H     13.75466966      8.16692642     -9.78604406
  O     12.06587423      2.42989556    -12.28123834
  H     13.05154503      2.69437670    -10.76668361
  H     13.42624109      6.92852934    -11.62583456
  O     16.33440804      3.22606645    -13.44088182
  H     11.51082856      3.21853672    -12.30465977
  H     13.44397934      6.47566818    -13.11258122
  O     16.69034107      5.27456685    -15.33571429
  H     12.65348425      2.47741511    -13.05018543
  H     12.99356188      4.27724700     -9.04044289
  O     10.75847055      8.26073985    -11.10303743
  H     16.10841578      3.70260071    -12.62796341
  H     11.84858344      5.33103692     -8.97653206
  O     12.78793137     -0.27805446    -11.96705727
  H     16.57889107      3.89047666    -14.09680283
  H     14.64069293     -1.03497762    -14.97170226
  O     14.81944942      0.25532442    -10.23170423
  H     17.37229805      5.43918354    -15.98164727
  H     15.11822087     -0.12581241    -13.81199198
  O     15.83933854      7.64670460    -14.34194236
  H     16.45785675      6.13871982    -14.95094702
  H      9.40639250      6.09019882     -9.18071530
  O     16.09592046      8.83886706    -11.75504359
  H     10.65168436      8.08935217    -12.04534646
  H     10.36482783      6.85960527    -10.12314555
  O     13.11611962      7.16341210    -14.76501994
  H     11.68489262      8.50578070    -10.96954660
  H     14.91634196      3.90341854    -10.70197161
  O     13.89088776      4.80966988    -15.89607168
  H     12.34659671      0.57893192    -12.04695615
  H     14.75696276      5.12684918    -11.62520545
  O     13.51577365      8.50010018    -10.66245373
  H     13.19829949     -0.44251245    -12.82552752
  H     14.69478288      2.70651232    -14.05861938
  O     13.43462333      6.15298922    -12.20143882
  H     14.07452201     -0.01977785    -10.79692394
  H     13.92242364      1.46861589    -14.57165320
  O     12.73181645      5.12144515     -8.65144529
  H     14.97430499     -0.45598450     -9.61558532
  H     15.95736772      0.49320937    -11.81029511
  O     14.34970101     -0.36050638    -14.36469135
  H     15.93958986      8.06700562    -13.48046567
  H     16.47746803      1.43594767    -12.92853965
  O     10.20398643      5.99911895     -9.69506283
  H     14.89685460      7.67668237    -14.55702889
  H     11.85613261      5.30652812    -12.15787055
  O     15.41848687      4.54215307    -11.22371511
  H     16.34847834      8.11189417    -11.15691242
  H     10.55981128      5.18292703    -11.32194096
  O     13.83915082      2.41613405    -14.40845218
  H     16.74124739      9.53101547    -11.63590566
  H     14.30787651      7.48922062     -7.35358624
  O     16.31470014      0.50868931    -12.70605845
  H     12.17155452      7.26037555    -14.60408363
  H     13.77287689      6.45528608     -8.37306292
  O     10.94611605      4.96639343    -12.18047867
  H     13.26055992      6.33646902    -15.25542910
  H     16.30840381      5.95029712    -10.41395897
  O     14.31955229      7.25683466     -8.27783015
  H     14.84852134      4.92496457    -15.85559835
  H     15.89096568      6.93932338     -9.31325407
  O     16.53336096      6.80514845    -10.02139195
  H     13.71848659      3.95264023    -15.48569486
  H      9.59788458      7.13173562    -14.28992321
  O     10.41934895      7.16251721    -13.80490001
  H     14.33673507      8.78579526    -11.08368979
  H     10.49338557      6.31852777    -13.32962979
          69
 Ord_Energy   -249.214172    
 O   -6.32780600      -3.86608434       9.66799259    
 H   -5.62348700      -4.34319305       10.1421871    
 H   -6.81693029      -3.37640786       10.3240013    
 O   -6.60655069      -9.30033875       3.27023578    
 H   -6.93032265      -9.75967598       2.50076604    
 H   -7.36506224      -8.82518578       3.65654159    
 O   -5.81288385      -7.81477737       10.0912333    
 H   -6.38694620      -8.59085464       10.0812187    
 H   -6.13747501      -7.22961187       9.39532661    
 O   -1.22595835      -6.79626846       5.40447378    
 H   -1.62225699      -6.46245098       4.59055281    
 H   -1.79209995      -7.52552366       5.69241810    
 O   -5.07686901      -6.93261433       3.72938061    
 H   -5.72337246      -6.42289448       4.23307896    
 H   -5.51534367      -7.75348282       3.48008966    
 O   -3.19216681      -8.50087833       6.39117146    
 H   -3.15963507      -8.68834782       7.33929825    
 H   -3.98323536      -8.94066429       6.05449629    
 O  -0.405081958      -5.18094540       7.40950108    
 H  -0.633532524      -5.77838135       6.67313576    
 H   0.534679055      -5.03052330       7.36107445    
 O   -4.15450096      -5.99328423       7.14207268    
 H   -3.79987025      -6.75876617       6.67212248    
 H   -3.67307997      -5.19752121       6.88018608    
 O   -5.61170483      -9.80770397       5.85576200    
 H   -5.86519289      -9.81428146       4.92540979    
 H   -6.32470417      -9.34569168       6.31865788    
 O   -7.07309008      -5.47097540       5.14040565    
 H   -7.01926136      -5.56854439       6.09737206    
 H   -6.78844452      -4.56859255       4.94161081    
 O   -3.22812867      -3.34078455       4.15495348    
 H   -3.04838777      -4.18176079       3.71493220    
 H   -4.18646479      -3.23830295       4.19097614    
 O   -5.03344393      -10.9951630       8.36247349    
 H   -5.14562654      -10.7699423       7.42867422    
 H   -4.29217482      -10.4637613       8.67793274    
 O   -7.74674463      -8.55064774       7.22508049    
 H   -7.47387600      -7.66504812       7.50109434    
 H   -7.77046442      -9.10131168       8.01719379    
 O   -2.70803523      -3.64170718       6.80456591    
 H   -1.83896124      -3.99767542       7.01816940    
 H   -2.74533439      -3.47158122       5.84935141    
 O   -7.31531906      -10.1301250       9.53948021    
 H   -6.52042532      -10.5466328       9.15837765    
 H   -7.78271389      -10.8078995       10.0193357    
 O   -2.28998828      -6.22649622       9.26209068    
 H   -1.50996101      -5.87826300       8.81548214    
 H   -3.00332522      -6.15347481       8.61008644    
 O   -6.68235779      -6.05604029       7.96772861    
 H   -6.77683592      -5.27686405       8.52970886    
 H   -5.76203346      -6.05194521       7.64641047    
 O   -2.66844821      -5.91296625       3.12109375    
 H   -3.53492093      -6.31362343       3.31870723    
 H   -2.46421552      -6.12822914       2.21493244    
 O   -3.33169222      -8.83004951       9.18560505    
 H   -4.19105482      -8.53260994       9.51744366    
 H   -2.73646212      -8.08723259       9.35007000    
 O   -8.49315739      -7.85993052       4.58565903    
 H   -8.45143795      -8.19270802       5.49216461    
 H   -8.15826893      -6.95435381       4.63571262    
 O   -6.03691959      -2.90807247       4.77905035    
 H   -6.42920351      -2.10358882       4.44923639    
 H   -5.79038906      -2.73937273       5.70716238    
 O   -4.47273922      -5.43891573       10.8831835    
 H   -3.59908938      -5.58634901       10.4989166    
 H   -4.90622282      -6.30213308       10.8747473    
 O   -5.23098755      -2.59020567       7.34119797    
 H   -4.29807425      -2.84626555       7.30220270    
 H   -5.58398676      -2.95420432       8.15986347    
          69
 Energy    -249.21337695053836     
  O     12.40097463     10.46244071    -14.32924644
  H     12.45822155     10.81441591    -13.43155923
  H     15.46737940      5.00556264    -14.39961558
  O     13.15486760      4.62674556    -16.43162430
  H     13.23065892     10.65858524    -14.79126840
  H     15.92636438      8.95161602    -10.85423134
  O     13.95499318      6.58689976    -11.45797362
  H     12.81726549      4.39578859    -17.29365973
  H     15.48022841      7.47977523    -11.02401695
  O     18.40465705      6.23290491    -10.83378762
  H     12.56109493      5.30785601    -16.07525990
  H     14.42494306      7.97123550    -14.33218937
  O     12.92254008      3.04234083    -13.97298655
  H     13.08407199      6.43434224    -11.07430642
  H     13.20349083      8.81227067    -13.87933241
  O     10.16060584      8.92074247    -14.63824669
  H     13.81156054      7.10323092    -12.26747127
  H     15.50084995     11.08110391    -14.79525382
  O     15.22790026     10.58182941    -11.10489353
  H     18.96753705      6.55839907    -11.54624883
  H     15.22206486      9.82847129    -15.63870192
  O     19.71103657      6.98603314    -13.30568317
  H     17.69762014      6.88422685    -10.72548544
  H     10.80941209      5.76497737    -10.05649603
  O     11.64001736      6.57525142    -15.16352204
  H     13.69039170      3.38307673    -13.49276048
  H     11.11142815      5.63787800    -11.57095623
  O     17.60139600      3.81454429    -11.74954063
  H     13.00479690      3.39429402    -14.86641023
  H     10.43494037      8.70547737    -12.67274743
  O     18.32654830      4.88834492    -14.31431162
  H      9.41840430      9.40229807    -14.99468004
  H     10.89011341      7.91870178    -11.41529313
  O     15.68057563      5.27767413    -15.30567394
  H     10.91588274      9.53507770    -14.63444341
  H     15.88493452      4.12724025    -12.32498001
  O     16.25969397      8.04658046    -10.95023078
  H     14.27917983     10.69107940    -11.24099871
  H     14.67692089      5.11295499    -12.22294299
  O     13.61349073      7.94257024    -13.80723991
  H     15.66276438     11.00463049    -11.85481241
  H     11.05608277      5.40053514    -13.79205382
  O     14.87995964     10.70831812    -15.43396981
  H     20.62629867      6.94192010    -13.56739411
  H     11.56929842      4.05723400    -13.26513281
  O     11.25340406      6.19434056    -10.78225922
  H     19.25727878      6.23972136    -13.73830439
  H     12.00178791     11.61225915    -11.03223909
  O     10.77117507      8.80621464    -11.77553359
  H     10.97847157      7.27651050    -15.16345554
  H     11.84289690     10.16322524    -11.54684027
  O     15.06168947      4.39858497    -12.74890808
  H     12.39497130      6.95040389    -14.68405926
  H     15.90929380      7.08334836    -15.44325798
  O     10.97704264      4.79131652    -13.04856048
  H     17.95434934      3.10598855    -11.21873366
  H     16.57018828      8.26471493    -14.67245334
  O     12.42568458     10.94378431    -11.56488487
  H     17.88571058      4.64916810    -11.33547472
  H     17.47738376     12.02616467    -13.38650932
  O     15.90634957      8.04520042    -15.34134661
  H     18.10909483      4.38030520    -13.52219218
  H     17.16061281     10.51327306    -13.37653454
  O     16.75889523     11.39868666    -13.40532324
  H     17.50560505      4.97094293    -14.81493718
  H     18.41516091      8.26213223    -13.31812242
  O     17.60835020      8.78887337    -13.26124174
  H     14.91874735      5.02356591    -15.83939630
  H     17.12557500      8.49261500    -12.47489544
          69
 Energy    -249.21331552410550     
  O     -3.25588291     -1.47952583      0.60820248
  H     -2.55985615     -1.49293782     -0.06283102
  H      0.31675391     -1.46010486      1.33262750
  O     -1.59089520      2.62292791      2.00564203
  H     -3.97509683     -0.93339233      0.26430774
  H     -3.22239529     -2.88159517      1.81971398
  O     -2.03368601     -1.89860436      4.68337693
  H     -1.82418090      1.72068295      2.27219483
  H     -2.86002439     -3.00218718      3.31831014
  O      3.04405229     -2.48683024      0.90532376
  H     -1.08387040      2.57001358      1.18397750
  H      1.50588467      0.17184600      2.67734110
  O     -1.27121747     -1.42195428     -1.39542613
  H     -2.18475555     -1.92265961      5.62411276
  H      2.59537865     -0.30586206      3.62880796
  O     -3.10522373      0.30873012     -2.50857877
  H     -1.15779395     -2.29673164      4.52693874
  H     -0.25650297     -2.69624279     -0.37203042
  O     -5.08657589      0.35547377     -0.41165852
  H      2.17758286     -2.77399758      0.58657397
  H     -0.06936134     -3.72897184      0.79693621
  O     -2.23713526      3.02244642     -2.02723124
  H      3.32743158     -1.78059911      0.31290404
  H     -2.64643076     -0.47518997      1.96838230
  O     -0.04015936      2.77453126     -0.41890011
  H     -0.49197416     -0.85122194     -1.34284854
  H     -2.18592357     -0.55056493      3.45733756
  O      3.68052971     -0.26042263     -0.77657895
  H     -1.91577324     -0.92275589     -1.91931809
  H     -0.88701125     -5.82236388      2.03867859
  O      0.92554604      0.25958823     -0.91311044
  H     -2.77886085      1.21540719     -2.45460568
  H     -1.62604917     -4.47044247      2.20179881
  O      0.29624623     -0.53636802      1.61551224
  H     -3.88325925      0.28410906     -1.93857414
  H      1.32660290      2.20431479      3.45015689
  O     -3.03623479     -3.51928519      2.52288268
  H     -6.03393586      0.45916760     -0.42360727
  H      0.01292919      2.92514877      3.02125324
  O      2.19406050      0.49690566      3.28015162
  H     -4.71352211      1.20071624     -0.10234675
  H      3.74306855     -2.66438342      3.98690081
  O      0.35328711     -3.01219969      0.30635800
  H     -2.13232151      3.73057396     -2.65762347
  H      3.05562739     -2.32742355      2.64437991
  O     -2.18902143      0.00984946      2.67057107
  H     -1.42135862      2.99497850     -1.49891118
  H      0.11550637     -3.79483158      3.41315286
  O     -0.75534665     -4.87850861      2.04271974
  H      0.32902147      1.91706575     -0.67720641
  H      1.21040734     -2.82307734      3.93691710
  O      0.93835692      3.06795842      3.25962170
  H      0.67895236      3.28770037     -0.03040821
  H      3.24500971      1.26018219      1.93676699
  O      2.98193779     -2.22987068      3.61103938
  H      3.73720786      0.44251883     -0.10275945
  H      3.19703163      2.48738898      1.00533026
  O      0.30123122     -3.11516288      4.07170071
  H      4.44450140     -0.16889643     -1.33895707
  H     -3.40963546      2.91604514     -0.54000724
  O      3.63009790      1.63587872      1.13328656
  H      1.86112760      0.06677945     -1.04484240
  H     -3.23482360      2.78065846      0.98244723
  O     -3.88000417      2.68556985      0.27177389
  H      0.73334121      0.04366959      0.01460567
  H      1.67593104      3.76307864      1.85662603
  O      2.04597364      4.02504429      0.99287067
  H     -0.57135074     -0.36092235      2.00006566
  H      2.35575964      4.92156634      1.08739457
          69
 Energy    -249.21304284624500     
  O     -1.06310524      0.98397479      3.90623302
  H     -1.43492545      0.50227732      4.63981983
  H     -2.83992953      4.33066552     -2.32445503
  O     -4.22795224      1.32997254     -1.79529639
  H     -1.28050726      1.92411448      4.04531600
  H      2.54641547      2.40991005      3.41221232
  O     -3.43169761      3.26771112     -3.74407110
  H     -4.09224043      1.78656401     -0.95575148
  H      3.66754246      3.13435727      4.19590531
  O     -3.65502490      4.77965755      2.51275482
  H     -4.11515178      2.00306287     -2.47898608
  H      1.25386079      3.02556613      0.83392830
  O     -0.44080668     -0.33655660     -0.88161648
  H     -3.79842508      3.53940782     -4.58099300
  H     -0.19090196      2.41190677      1.00393899
  O      0.86472861      1.55898323     -2.55085836
  H     -2.68293231      2.67686737     -3.94435130
  H     -3.02657589      3.50936052     -0.25635613
  O      0.39903851      7.03896311      1.45489707
  H     -4.43042088      5.24714241      2.81173123
  H     -3.62720489      3.46431913      1.16838065
  O      1.67791775      0.94419597      3.05375351
  H     -3.16788354      5.38929236      1.92764335
  H     -0.84699090      4.12784057      3.90091956
  O     -2.61396322     -0.69752525     -2.61203380
  H     -0.86681224      0.14238142     -0.15225214
  H     -2.36231497      4.00429774      3.62928206
  O      1.82250966     -0.66217118      0.66833394
  H     -1.14681051     -0.60956879     -1.47947182
  H     -1.45676709      0.96874953      2.11402148
  O     -2.29288426      6.31446664      0.76535548
  H      1.77263284      1.50455522     -2.21896478
  H     -2.21062973      1.70242612      0.94526707
  O     -2.40923073      4.67431392     -1.53283055
  H      0.36587863      0.94087741     -1.99995323
  H      0.43652891      4.30298729      2.29304799
  O      2.97982949      3.27253822      3.55060362
  H      0.59282837      7.87103047      1.88064646
  H      1.49884544      4.44893206      3.39731955
  O      0.30952761      3.22871453      0.89949111
  H      0.52325281      6.34596397      2.12503999
  H      1.62242552      5.34616841     -1.04910653
  O     -3.40616841      2.91442054      0.40767635
  H      1.73564985      0.38826661      2.26736961
  H      1.64121502      6.28869847      0.16480250
  O     -1.63113309      3.60714077      4.11840373
  H      0.76873111      0.89042657      3.37198910
  H      0.22850534      3.91048772     -0.73957085
  O     -1.48556814      1.09680552      1.15819244
  H     -3.14107269     -1.42854948     -2.92281410
  H      0.49979876      3.32316739     -2.13225901
  O      0.67578573      4.83342941      3.07252571
  H     -3.23481439     -0.02772125     -2.27230786
  H     -0.56377580      1.54985709     -3.76809647
  O      2.21169003      5.75558138     -0.40098251
  H      2.12530597     -1.56781778      0.67125364
  H     -1.80334528      0.63770322     -3.76500839
  O      0.26543022      4.14460581     -1.68114486
  H      1.04045122     -0.63719292      0.09266900
  H      3.25294218      3.45735511      1.65304958
  O     -1.45055060      1.45388623     -4.13993790
  H     -1.38464131      6.60888538      0.89766507
  H      2.92708648      4.27225439      0.35401757
  O      3.10548814      3.38519300      0.70400185
  H     -2.33615804      5.89759643     -0.10557666
  H      3.29197881      2.01902464     -0.50587187
  O      3.16618926      1.24564974     -1.07398140
  H     -1.45755458      4.54797393     -1.66767027
  H      2.86090800      0.54731374     -0.48418754
          69
 Energy    -249.21285714363120     
  O     13.56518246      6.18610276    -14.33570209
  H     14.09648777      6.95529517    -14.59466104
  H     13.94339827      6.14665702    -11.18633094
  O     16.03021269     11.99018781    -14.66958490
  H     13.90676077      5.44913575    -14.85611614
  H     13.96538763      8.31546963    -11.23886161
  O     14.15367352      9.06777947     -8.27419979
  H     15.33981738     11.66186255    -15.25566964
  H     13.44338722      8.23216136     -9.79111683
  O     17.81251478     10.72721428     -9.81000090
  H     15.60471209     12.06400674    -13.80304125
  H     19.28174053      3.60042943    -13.59150346
  O     12.15408513     10.73699481    -13.66240780
  H     15.07617405      8.76014324     -8.34291560
  H     17.83076974      4.10228585    -13.40569834
  O     18.47305882     10.85251067    -14.76560983
  H     13.91604303      9.01920255     -7.35235702
  H     13.27383536     10.83918492    -16.70929065
  O     14.52114071     11.80135201    -12.35851302
  H     18.18410781     10.40257530    -10.64858651
  H     13.17768886     10.75601207    -15.16848049
  O     16.67461773      7.04111395    -11.15249668
  H     18.48255981     11.28226360     -9.41833853
  H     12.27864659      7.39485021    -13.56644981
  O     17.43469209      5.45941419    -16.02789575
  H     12.04895889      9.79017263    -13.45748137
  H     12.18963588      7.99768557    -12.15108342
  O     16.14945295      3.71231886    -13.08417186
  H     11.30219038     11.14117470    -13.51787666
  H     14.71800931      9.15232539    -15.41900902
  O     15.04191124      4.20475120    -15.68611202
  H     17.60677654     11.29623590    -14.73130052
  H     16.02617990      8.32253360    -15.13973922
  O     14.40440301      5.50652244    -11.74362171
  H     19.07897221     11.46342917    -15.17637844
  H     16.78363139      7.74908219     -9.43300675
  O     13.30565326      7.87893517    -10.67733885
  H     14.58370294     11.78829168    -11.39028048
  H     17.19623755      9.15175995     -8.96243216
  O     18.71764234      4.35865556    -13.71715171
  H     13.63949827     11.51372376    -12.62081276
  H     14.63779420     10.69507368     -9.20892769
  O     13.79129267     10.70263833    -15.91945719
  H     16.00135809      6.36817689    -11.31137449
  H     15.98127318     11.23131847     -9.74338507
  O     11.88496868      8.11697157    -13.06183682
  H     16.30113840      7.86416562    -11.50735978
  H     18.95922181      6.13011255    -13.12851847
  O     15.07601864      8.38048091    -14.96604023
  H     17.98406689      5.05292389    -15.34502125
  H     18.08615164      6.99838189    -12.20345641
  O     16.73426470      8.35229633     -8.67913066
  H     17.57727372      6.41007023    -15.94474336
  H     15.14967604     10.03780158    -12.23791105
  O     15.03065637     11.40634080     -9.72738905
  H     15.70970369      3.74163439    -13.94353551
  H     15.18403973      8.83409478    -13.21343607
  O     18.79999955      7.04237456    -12.85933749
  H     15.56443895      4.18081625    -12.47619664
  H     19.04480726      8.86887534    -12.31541376
  O     15.26007965      9.08210271    -12.28276964
  H     15.86567658      4.68356217    -15.88910345
  H     18.77236726     10.22566971    -12.98862107
  O     18.89992489      9.80466052    -12.13031664
  H     14.89204230      3.59855718    -16.40650933
  H     18.14591325      7.76643543    -14.39501239
  O     17.80662358      8.16237200    -15.21201987
  H     14.10659936      5.69937015    -12.64520718
  H     18.09724379      9.08275917    -15.20296526
          69
 Energy    -249.21273378989309     
  O     11.57074913      7.95420222    -14.89155002
  H     12.34096794      7.60307264    -15.36249367
  H     19.27718699      7.56980816    -14.44337512
  O     16.98770903      7.26616375    -12.38539961
  H     11.63533875      8.91317247    -14.95457055
  H     14.61269335     10.21099856    -17.00254787
  O     16.73094094     10.80188176    -14.72118107
  H     17.40653993      8.12616606    -12.23994522
  H     15.19752873     11.08376371    -15.87119319
  O     15.34780866      4.79028580    -15.13810196
  H     16.37080830      7.09490350    -11.66241344
  H     15.73779694      8.05043733    -13.46320626
  O     13.44592257      9.62251095     -8.71815492
  H     17.48323888     10.60326982    -15.29403618
  H     14.73640324      8.07903261    -14.66291432
  O     14.99607400      6.78285042    -10.53840177
  H     16.24733147      9.97462261    -14.56829751
  H     11.43829953      6.92424916    -13.52038194
  O     13.43521168     10.27134891    -12.67150690
  H     15.26361892      3.86931281    -15.37098573
  H     10.62959534      5.86222086    -12.73538002
  O     17.44960597      7.98388537    -17.05283173
  H     14.93029243      4.89569212    -14.26329977
  H     16.06741262     10.79366927    -10.19116441
  O     15.76562583      8.27224643     -8.27733577
  H     13.70183470     10.42758488     -9.18599370
  H     16.62365599      9.57622332     -9.43024260
  O     19.06197574     10.12681803    -16.22805084
  H     12.98379029      9.08349110     -9.37508872
  H     13.17794964      5.51454283    -12.78640906
  O     17.76231910      6.28738612    -14.80954680
  H     15.33637557      7.12485227     -9.70244813
  H     14.47681468      5.55637558    -11.95985694
  O     19.76084065      8.38874511    -14.28525254
  H     14.17932425      7.27391777    -10.70844598
  H     17.79794133     10.03864633    -11.54285450
  O     14.40281689     10.93342894    -16.39801466
  H     12.85210358     10.56348193    -13.38188278
  H     17.69318797     10.30489596    -13.07557914
  O     15.16500676      8.62066392    -13.99023349
  H     14.09844418      9.70242365    -13.09240314
  H     14.06638792     11.22665802    -11.30934574
  O     11.45627367      6.33685163    -12.74281892
  H     17.56613957      7.38682428    -16.30248882
  H     14.31919973     12.58822554    -10.62258412
  O     16.86267339     10.26149754    -10.06434569
  H     18.05410071      8.72225297    -16.90802483
  H     15.95066439      8.40838857    -17.71326730
  O     14.08978215      5.19833050    -12.76706699
  H     15.96007618      8.12893356     -7.35518532
  H     15.05614631      8.59831818    -18.96521859
  O     18.15694602      9.78578689    -12.40770891
  H     14.91908503      8.75328322     -8.31673710
  H     12.81113419      8.92177405    -11.59288577
  O     14.40399229     11.64608081    -10.50016092
  H     19.77976331     10.66477164    -16.54943001
  H     12.10441038      7.54538609    -11.50170142
  O     15.05348369      8.64819604    -18.01346408
  H     19.43410657      9.53255463    -15.55076498
  H     12.87798306     10.86595223    -15.55882947
  O     12.61048555      8.19016925    -10.99251305
  H     17.06665851      5.65570381    -15.02692648
  H     11.45419624     11.44571819    -15.39120976
  O     12.05401036     10.79124832    -15.04394733
  H     17.55582239      6.56562188    -13.90338599
  H     14.29471665      7.52327791    -16.78139414
  O     13.94646008      7.07500990    -15.99948171
  H     19.34703687      8.81614024    -13.52166141
  H     14.43342258      6.25238984    -15.86581100
          69
 Ord_Energy   -249.212448    
 O   -7.97995329     -0.159674659     -0.763564110    
 H   -7.10317612      0.243806660     -0.777625859    
 H   -8.56073666      0.487855792     -0.345496356    
 O   -4.49941301      -2.69383764       4.84193850    
 H   -4.90507460      -3.44945478       4.40520096    
 H   -5.14741850      -2.38648653       5.49243593    
 O   -5.43425751       1.11101210     -0.532664239    
 H   -4.96322966      0.458555460       1.74327493E-02
 H   -4.84144640       1.35825455      -1.23709595    
 O   -8.56603241      -3.75066066       3.98988914    
 H   -8.15395737      -2.87735009       4.00328445    
 H   -9.18507004      -3.71485639       3.24500608    
 O   -9.05704212      -2.88950324       6.66796732    
 H   -9.12489891      -3.33828926       5.81616068    
 H   -9.65898991      -2.13496709       6.64003468    
 O   -9.82534885     -0.392576247       2.61026120    
 H   -10.0698166      0.123806901       3.38913608    
 H   -9.65645313      0.254255325       1.91134095    
 O   -6.66658640      -1.61240101       6.21477365    
 H   -6.87408638      -1.33977282       5.31132174    
 H   -7.42160988      -2.14516020       6.51008654    
 O   -8.19865417       4.19360113       3.30977154    
 H   -7.59673977       3.83537126       2.64496112    
 H   -7.98743773       3.72867107       4.13156843    
 O   -7.35165215      -1.18442822       3.46921539    
 H   -8.21507454     -0.903196216       3.13344431    
 H   -6.89446831      -1.67133510       2.76850772    
 O   -7.66877031       2.33253932       5.35777998    
 H   -7.69833517       1.87345243       6.21043968    
 H   -6.92418003       1.95462346       4.87091875    
 O   -6.67753315       2.52912712       1.55520749    
 H   -6.21073151       2.19395065      0.779677570    
 H   -6.29826927       2.06294823       2.31402946    
 O   -10.5303364     -0.408810169       6.73986387    
 H   -10.5277767      0.240901336       6.01948643    
 H   -11.3401155     -0.268683255       7.22619104    
 O   -10.2214823       1.43013942       4.67798042    
 H   -9.32857704       1.72693634       4.91197968    
 H   -10.5772591       2.09768271       4.07900572    
 O   -3.40563989     -0.455500722       3.74802661    
 H   -3.74735355      -1.28185868       4.13372660    
 H   -2.53559136     -0.323093891       4.11501312    
 O   -5.77483368       1.06697166       3.74486899    
 H   -6.35270643      0.302754372       3.60443425    
 H   -4.88361216      0.706527889       3.81935024    
 O   -9.27287483       1.71738636      0.902859926    
 H   -9.88558578       2.31303954       1.34974170    
 H   -8.38195419       2.01791954       1.13898802    
 O   -10.0630083      -3.09520555       1.79822648    
 H   -9.51166821      -3.07819295       1.00669849    
 H   -10.1706448      -2.16869020       2.05390286    
 O   -7.89509106      0.623510540       7.47898102    
 H   -8.79153728      0.271472424       7.44067097    
 H   -7.32691193     -0.101567060       7.18615198    
 O   -8.19408989      -2.82165432     -0.367793649    
 H   -8.15317631      -1.86429048     -0.546439946    
 H   -8.29799747      -3.25359035      -1.21156824    
 O   -6.13500881      -2.74570870       1.51248085    
 H   -6.04023743      -3.55027413       2.03723478    
 H   -6.82241440      -2.88862848      0.847842276    
 O   -10.7128153       3.40894866       2.69984865    
 H   -11.3205128       4.13398695       2.58304858    
 H   -9.84535599       3.79859281       2.91757083    
 O   -6.05901861      -4.76408672       3.46841455    
 H   -6.97648191      -4.56079340       3.71720386    
 H   -5.94365644      -5.70341778       3.58734155    
 O   -4.26158762     -0.738859653       1.03766501    
 H   -3.85962820     -0.607851982       1.90396869    
 H   -4.84415102      -1.50520360       1.13133526    
          69
 Energy    -249.21204031520011     
  O     -1.97761220      0.58056757      1.33829707
  H     -2.42450244      0.98079569      2.09682008
  H      0.78960566      1.03642198      3.62559877
  O     -0.26096681      2.40838401      3.48849811
  H     -1.43934119     -0.14018396      1.68865714
  H     -4.87185960     -0.96596255      5.08596678
  O     -4.47089203     -2.04734028      0.35269778
  H     -1.18705636      2.22499392      3.70021454
  H     -4.04035618     -1.34981748      3.84173025
  O     -1.96572287     -4.71713351      1.26232084
  H     -0.25949652      2.75436758      2.58767043
  H     -3.54989926      0.98329346      3.97629560
  O     -3.15967740     -3.99742823     -1.24693827
  H     -4.12930903     -1.28168652     -0.13488240
  H     -3.57384760      2.37030776      3.24457817
  O     -4.52520632      2.39717258     -1.30923578
  H     -4.23983022     -2.81590187     -0.18003918
  H      2.71737371     -0.57988846      0.78500059
  O     -1.38808206     -1.91224815     -1.69069506
  H     -2.45542119     -4.63138018      0.43352060
  H      2.26876265      0.28253510      1.99655264
  O     -2.80532575      4.29999426      0.02701699
  H     -2.44171515     -4.18543914      1.91078320
  H     -1.02806799      2.00862779      0.83999753
  O      2.59981344     -2.22333759     -0.12446174
  H     -2.51534416     -3.31905825     -1.51141233
  H      0.19023916      2.60693720      0.09298146
  O      1.03622807     -0.67022243     -2.01917473
  H     -3.38647103     -4.48136493     -2.03707000
  H     -6.38152976      1.25067640      1.13275152
  O      0.07367515     -3.10045364      0.39567989
  H     -3.94611868      3.08442320     -0.95822186
  H     -7.43279210      2.29376898      0.69167774
  O      1.33683931      0.23002178      3.63728071
  H     -5.25869098      2.32754534     -0.68406133
  H      0.12350952     -0.98751696      2.97293475
  O     -4.52812876     -0.62312532      4.26453051
  H     -0.56557560     -1.48042456     -1.96448892
  H     -0.21250361     -2.01884884      1.83555832
  O     -2.99719182      1.70223440      3.65017255
  H     -2.03498696     -1.20695655     -1.54123766
  H     -2.77633297      0.24016350     -0.15985923
  O      2.65494156      0.32604122      1.11390733
  H     -1.96621334      3.84914631      0.21728184
  H     -3.70857199      0.80100431     -1.26205751
  O     -0.56135741      2.83794589      0.65219928
  H     -2.58402145      5.19093617     -0.23266895
  H     -3.91763606      3.85488542      1.51176122
  O     -6.49396583      2.13502894      0.74166976
  H      3.22213381     -2.92886439     -0.28116261
  H     -5.22391455      3.07887571      1.75827716
  O     -0.58881096     -1.47252287      2.53867835
  H      1.75065378     -2.64271224      0.09658052
  H     -5.66176776     -0.35252221      2.72810947
  O     -3.23123183      0.00780540     -0.98520846
  H      1.68463923     -1.17626398     -1.51562753
  H     -5.67699335     -0.98111438      1.32092546
  O     -4.46772803      3.47624852      2.20845531
  H      1.13597776      0.24271463     -1.72452668
  H     -3.57280119     -2.31941487      1.94593261
  O     -6.08868283     -0.29784777      1.86563604
  H     -0.41763169     -2.65894357     -0.31181185
  H     -2.25617863     -2.15880576      2.77802985
  O     -3.15723524     -2.51383572      2.79952475
  H     -0.50434792     -3.79610230      0.74071989
  H      2.03983022      1.38483042     -0.10314807
  O      1.63016781      1.90024657     -0.82246471
  H      1.79233847      0.21912182      4.47485715
  H      2.32925929      2.40506932     -1.23058727
          69
 Energy    -249.21175148665361     
  O     14.01929680      6.29953014    -15.82340595
  H     13.96897847      6.05888618    -14.88675945
  H     19.61837687      6.99513667    -17.31023909
  O     18.59739374      7.17248663    -12.25131854
  H     13.49776456      7.09762113    -15.98041188
  H     18.00989832      8.93772033    -17.88775037
  O     18.86253360      7.61354793    -18.91834131
  H     19.28608174      7.46610395    -12.85863221
  H     17.12563186      8.77972836    -16.62760708
  O     16.38054528      6.59302636    -19.19147531
  H     17.87055517      7.80615739    -12.37170465
  H     16.48752606      8.04508304    -14.51464585
  O     14.67642623      7.29772447     -9.47553984
  H     17.99866012      7.18366758    -19.05970452
  H     15.59877185      7.28984074    -15.55754327
  O     14.37801535      5.68810733    -13.16311551
  H     19.25971346      7.71806234    -19.77846646
  H     13.72741903      9.57201713    -13.35234580
  O     16.53716377      8.81505873    -12.80897077
  H     16.03279619      5.83901157    -18.70472245
  H     14.60366317     10.62292726    -14.07938045
  O     17.57509092      5.13349576    -15.82931773
  H     15.78163371      7.33405461    -19.01264374
  H     16.85382100      4.06003457    -11.61506504
  O     13.97589100      4.72619854    -10.62458007
  H     15.61365897      7.05598742     -9.58315559
  H     17.10881985      2.90217849    -10.62211465
  O     18.59157712     10.56752377    -15.02625862
  H     14.57163423      7.59266718     -8.57483917
  H     13.21438193      9.32508799    -15.56748846
  O     15.34314076      4.55038150    -17.46386539
  H     14.06365242      5.26941981    -12.34838411
  H     12.04397062      9.12040089    -16.55673169
  O     19.84834309      6.66433619    -16.43281499
  H     15.32483169      5.49864815    -13.20698761
  H     20.11876938      7.71062878    -15.06293518
  O     17.45147257      9.42873274    -17.27232365
  H     16.55134602      9.75491718    -13.02890968
  H     21.17939508      8.45045983    -14.22148069
  O     16.48311338      7.63940118    -15.39011892
  H     15.65939167      8.61765068    -12.45785323
  H     17.68370775      5.70792419    -12.81637048
  O     13.77942495     10.12687798    -14.14170596
  H     17.30049357      6.05546893    -15.69100589
  H     17.33099569      4.83901624    -14.05315235
  O     16.66895992      3.74330829    -10.71386769
  H     16.93069590      4.75908286    -16.44109814
  H     17.83937773      6.72434069    -10.54203050
  O     12.91151165      8.79729361    -16.32740530
  H     14.08205649      5.54497659    -10.12468505
  H     17.12476681      5.46928438    -10.00511895
  O     20.24218958      8.28127670    -14.28365840
  H     14.82039286      4.26321144    -10.54629304
  H     14.09102004      8.02123663    -11.09070001
  O     17.13242533      4.97073110    -13.11713414
  H     18.27224170     10.29710158    -15.89982997
  H     14.01042244      7.35548124    -12.48146011
  O     17.22820360      6.41845489     -9.86057878
  H     19.15601815      9.85058434    -14.71664614
  H     16.47321752     12.29857122    -13.42581060
  O     13.96680976      8.21110964    -12.03007916
  H     14.79337243      3.81052872    -17.70832954
  H     17.18410742     11.19912815    -14.24836798
  O     16.36838438     11.41122634    -13.75830368
  H     14.79369431      5.14082691    -16.91959258
  H     14.23588827      8.88758402    -17.75436356
  O     14.91611548      8.83217487    -18.43372175
  H     19.21463801      5.95867070    -16.25079173
  H     15.70258160      9.25836763    -18.06799467
          69
 Energy    -249.21159947465736     
  O     16.42671710     10.36468342    -16.65383867
  H     16.88668460      9.66205773    -16.16715812
  H     17.47760087      5.92373409    -17.09376419
  O     15.61356955      5.36401897    -14.22901332
  H     15.93834411     10.87951556    -15.99859011
  H     17.41290923      5.24173805    -11.29547367
  O     17.37884119     13.94537470    -11.72647176
  H     16.27578487      5.30177157    -14.93357595
  H     18.20001875      5.91766701    -12.43957987
  O     20.07214425      8.67546293    -13.91212821
  H     16.10599032      5.54842906    -13.42169215
  H     20.24514383     10.49855608    -16.39046005
  O     17.51008732      6.97297179    -18.61893820
  H     17.78354719     13.44246977    -11.00876536
  H     21.75813482     10.24021351    -16.58618511
  O     15.86211263     10.92497871    -10.13207632
  H     16.44567307     13.69639163    -11.72676825
  H     18.42065835      8.41296006    -14.71529472
  O     15.19070840      8.82450869    -13.86248772
  H     20.48802883      9.12353184    -14.65904997
  H     17.56010279      7.36943591    -15.47439063
  O     17.94331829     12.31621990    -13.87386287
  H     19.80217255      9.33462252    -13.25832943
  H     16.02581602      8.71809156    -12.28405721
  O     19.70622528      6.00728712    -13.30005018
  H     17.42224902      6.74512993    -19.54083496
  H     16.93198731      7.69629341    -11.57403492
  O     13.80028056      6.97692505    -15.41876944
  H     16.66973106      7.38996566    -18.35726981
  H     14.69091915      7.70680176    -16.99245872
  O     20.28926128      5.10136241    -15.93744084
  H     16.71357344     11.30055584     -9.87509148
  H     15.47329621      8.96521032    -17.44520134
  O     17.54090400      5.59377061    -16.18795345
  H     16.05973866     10.05119720    -10.49383143
  H     18.74895426     11.40645511    -10.64392531
  O     17.34827055      5.91649235    -11.96704547
  H     14.53772436      8.27429996    -14.30976005
  H     19.23557641     11.99087341     -9.29867042
  O     20.94320153      9.82217057    -16.32125335
  H     16.04481935      8.59782710    -14.26567543
  H     18.07199931      9.75177719    -11.94328749
  O     17.56544300      8.27379440    -15.13915144
  H     17.86570337     13.02567763    -13.22037314
  H     18.49906779     11.02052996    -12.76508027
  O     16.66710560      8.62415363    -11.56417726
  H     17.03956720     12.04804025    -14.09254686
  H     13.94540004     13.10786251    -11.43260099
  O     15.20684282      8.07619017    -17.71804566
  H     19.94287435      6.93770704    -13.42594476
  H     15.06871454     12.07104075    -11.19669588
  O     18.50550765     11.99801921     -9.91219969
  H     19.96846997      5.57029996    -14.11789102
  H     20.39680632      8.20446568    -17.15438386
  O     18.80320687     10.36097517    -12.12241004
  H     14.39280645      6.33613312    -14.98368578
  H     19.30727171      7.38523934    -17.90391092
  O     14.74113576     12.74784486    -11.81570983
  H     12.93515050      6.57750521    -15.44636884
  H     15.16419924     10.59691594    -14.10511875
  O     20.17274616      7.32547169    -17.48267398
  H     20.90314899      4.47046779    -16.30275101
  H     14.99887622     12.02437490    -13.53009757
  O     15.30178330     11.53519848    -14.30566413
  H     20.34758714      5.90340298    -16.48853294
  H     18.73934682     11.98914687    -15.51513637
  O     18.95060726     11.61759479    -16.38289797
  H     18.44795486      5.28543241    -16.06716907
  H     18.11078694     11.28417344    -16.72175930
          69
 Energy    -249.21159760067698     
  O     11.71705333     10.64682595    -11.99532441
  H     12.14784771     11.00925161    -12.77843254
  H     16.09789945      5.26590162    -16.02814864
  O     13.76174581      6.77750281    -14.57939905
  H     11.26218417      9.84789327    -12.29253920
  H     17.99705312      6.26862332    -16.00774646
  O     17.59950803     11.77098059    -11.60787009
  H     14.16688645      6.20363561    -15.24538149
  H     18.57683394      4.85299449    -15.78257984
  O     17.87893013      7.63414731    -17.08702569
  H     13.20168759      7.43492224    -15.01003568
  H     15.48011156     12.20654738    -17.03094973
  O     12.11405645      8.91575214    -15.27686027
  H     16.75790148     11.37002178    -11.88789096
  H     15.97837072     10.98227207    -16.22686636
  O     15.79390092      8.47719551     -9.07375509
  H     17.41676745     12.68356858    -11.40114599
  H     15.18562500      7.78597315    -14.17624223
  O     13.15454076      6.82372524    -11.92611288
  H     17.79455750      8.50333409    -16.67543727
  H     16.55973413      7.66013506    -13.46605528
  O     15.35092971     10.43408428    -12.34919755
  H     17.10394214      7.53235249    -17.65463194
  H     20.56922048      7.96734827    -11.73569640
  O     15.44219099      7.23264049    -18.49130024
  H     12.56274918      9.69894380    -14.92337706
  H     19.20159426      8.55689652    -11.31438094
  O     15.57434192      6.15959760    -10.81585204
  H     11.51653086      8.61634793    -14.58153840
  H     10.04042979      7.55641198    -12.67348312
  O     17.27474707      9.96637654    -15.60984528
  H     14.98641231      8.80592839     -9.50170401
  H     11.56822468      7.55466547    -12.45883940
  O     15.20351036      5.34096581    -16.38094497
  H     15.58993017      8.38455449     -8.14567738
  H     19.40149765      9.67261152    -13.21870255
  O     17.95196437      5.48332292    -15.43270667
  H     13.92468378      6.45586111    -11.46758995
  H     18.71017019     11.02515268    -12.98186242
  O     15.18171194     11.45731974    -16.52181523
  H     13.35253639      6.72725740    -12.87073647
  H     18.41116933      6.90798762    -12.56140361
  O     15.96267434      8.28573782    -13.89618156
  H     14.77111897     10.08270681    -11.66185973
  H     17.78742796      5.98273694    -13.65669324
  O     19.68376329      8.13367131    -12.04872805
  H     15.62939811      9.67492035    -12.88479947
  H     17.42881867      9.10312099     -9.75628863
  O     10.83519143      8.05104723    -12.85876375
  H     14.83408142      7.92291501    -18.17282170
  H     18.05784061     10.28885433    -10.52566562
  O     19.13231220     10.48577672    -13.66212609
  H     15.25737697      7.11305651    -19.41903987
  H     14.25150898      9.98682239    -17.28077978
  O     17.62970792      6.38740338    -12.79258747
  H     15.79590242      6.84538478    -10.17627552
  H     13.08628203      9.04945715    -16.90717700
  O     18.24795344      9.41609987    -10.15876538
  H     16.30231826      6.13344931    -11.45045593
  H     13.45683106      8.38725523    -11.01452339
  O     13.80458242      9.17153960    -17.53963057
  H     18.00686854     10.24328033    -15.04037200
  H     12.89947525      9.82519097    -10.87517931
  O     13.59600464      9.23142664    -10.56015242
  H     16.76831893      9.32572391    -15.08628021
  H     13.96829035     11.40955587    -15.06069879
  O     13.46548283     11.15477656    -14.27731008
  H     15.27216296      5.89904536    -17.16672243
  H     14.12714019     10.97257275    -13.59483970
          69
 Energy    -249.21137346319898     
  O     -6.09117711      1.66170831      0.72349844
  H     -5.38614635      2.27087438      0.46477308
  H     -3.31159176     -1.23358828      3.93916178
  O     -5.59298377      1.93578196     -3.62229690
  H     -6.18272402      1.72615741      1.68268386
  H     -0.19360245      2.06485418      3.57098958
  O     -6.04742927      1.72896809      3.51820596
  H     -5.85887422      2.28796674     -4.46914118
  H      1.02032061      1.62460923      2.74615827
  O     -0.65102950     -1.63231799      2.04451389
  H     -4.81978405      2.44849405     -3.33979048
  H      0.17046710      3.64059135      2.02779510
  O     -2.63101520     -1.37773359      0.08189699
  H     -5.29263351      2.32610072      3.67199638
  H     -1.02440236      4.47544707      1.50645847
  O     -4.80473958     -0.80626414     -3.33309638
  H     -6.71002877      1.95102704      4.16668417
  H     -3.73619003      3.29219793     -0.95608505
  O     -5.34688746     -1.03879470      0.50424328
  H     -1.16874365     -1.60534764      2.85788266
  H     -3.32641976      2.49149052      0.31825254
  O     -2.21841802     -1.21706145     -2.68661308
  H     -1.29953283     -1.68374360      1.32910858
  H      0.12401393      2.77853010      0.13791474
  O     -3.34048034      3.32292167     -2.78554737
  H     -3.59074590     -1.36295451      0.20306469
  H      0.67655755      1.31697546      0.22200502
  O      1.34543943      0.14420498      1.51379257
  H     -2.45557054     -1.38299972     -0.86736044
  H     -7.78837438     -2.13179282     -1.85230842
  O     -1.40329689      1.51366521     -2.57535386
  H     -5.05924903      0.11083493     -3.48990349
  H     -7.28477925     -0.67517328     -1.69043773
  O     -2.40579324     -1.33438522      4.28365393
  H     -5.52846250     -1.19983445     -2.83086034
  H     -2.04477600      1.32480255      2.73159537
  O      0.66467151      2.36928894      3.24532595
  H     -5.55015176     -0.09335547      0.55429072
  H     -2.03170148      0.47553281      4.02586220
  O     -0.16668271      4.12005903      1.25447070
  H     -5.92023010     -1.40044332     -0.18118402
  H     -5.08845386     -1.10941233      2.37397341
  O     -3.90317429      3.20146006     -0.01152324
  H     -3.14648906     -1.09904573     -2.95889124
  H     -5.28476001     -0.02796537      3.45280173
  O      0.15009414      1.92081354     -0.31745532
  H     -1.83854695     -1.86778112     -3.27111876
  H     -2.41379253      0.33249574      0.65100934
  O     -7.00510508     -1.60927051     -1.70507228
  H     -2.62430666      2.66070995     -2.74056607
  H     -1.41286826      1.51047203      0.52600805
  O     -1.92318314      1.37338543      3.69210671
  H     -2.95229923      4.12175755     -3.13254495
  H     -3.16452231      5.91247409      1.63094099
  O     -4.88911204     -0.89343028      3.29339289
  H      2.17215836     -0.33063530      1.53191278
  H     -3.31331605      4.45603021      1.13348220
  O     -2.25791856      1.24775584      0.91605647
  H      0.64958273     -0.50367844      1.72295246
  H     -6.90116508      1.45621016     -2.30321989
  O     -2.90203544      5.01346759      1.81466509
  H     -0.77192149      1.64188492     -1.85279285
  H     -7.11542601      1.35101468     -0.77743405
  O     -7.46729776      1.05878735     -1.63054564
  H     -1.59790206      0.57085509     -2.62142833
  H     -3.56843277      3.98053324      3.28360972
  O     -3.89088771      3.29681883      3.88088745
  H     -2.47323093     -1.83944002      5.08926813
  H     -3.16902308      2.65517841      3.95728139
          69
 Energy    -249.21113581448014     
  O      2.56684566      1.41661218     -2.30446435
  H      2.52107497      0.96052335     -1.44554002
  H     -0.45748591      2.24507149     -0.60708903
  O     -1.89638511     -2.02162394      0.75755060
  H      3.43040464      1.23150740     -2.66565809
  H      2.46785074      0.89772921      0.91251589
  O     -1.33959511      1.74696743      2.50002172
  H     -2.43913713     -1.31146644      1.12904561
  H      1.81512313     -0.45742092      0.51773352
  O      0.14153218     -3.55913658      3.54434215
  H     -2.10635214     -2.82123244      1.25419488
  H      1.65537878      4.25590303      0.62316365
  O     -1.79221366      2.53572842     -3.99686325
  H     -1.36318671      2.70126040      2.64980591
  H      2.08382840      5.15741348      1.80018273
  O     -1.23101868      4.46852481      2.35961958
  H     -1.00652676      1.62509004      1.59686095
  H     -0.30538552      0.04416944     -2.97929971
  O     -3.10133309     -1.78512136      4.07656111
  H      0.55806168     -3.01954620      2.85982628
  H      0.96509246      0.90914455     -3.19531711
  O      2.53436012      1.85739134      2.38597911
  H     -0.03022925     -2.95891302      4.28118522
  H     -5.52822935      1.82633160     -0.05814456
  O     -3.08986648      4.26120904      0.11308589
  H     -1.08447064      1.86671992     -3.93634976
  H     -4.21269510      1.55051448     -0.82389920
  O     -3.38918159      0.05710521      1.92450996
  H     -1.85751621      2.78650489     -4.91383057
  H      0.74054679     -0.93658994      2.32229029
  O     -3.48630824      1.01016927     -2.27392116
  H     -0.31567431      4.52091281      2.05120016
  H     -0.11751885     -1.69326372      1.26367562
  O     -0.38648955      1.45877979     -0.05191734
  H     -1.79575373      4.50725185      1.57924569
  H      2.12477123      3.15053628     -1.55454953
  O      2.19484496      0.35400126      0.15605346
  H     -3.00616342     -2.62287115      3.60577906
  H      0.85343505      4.00783458     -1.38877770
  O      1.51387554      4.42668196      1.57049423
  H     -3.35116290     -1.13167204      3.41113806
  H     -1.69953487      4.00165151     -1.09054550
  O      0.11134893      0.67713354     -3.58007079
  H      2.14727197      2.72989181      2.24660765
  H     -1.26670068      3.41731460     -2.47097089
  O     -4.57842283      1.87343964      0.02077458
  H      1.95767801      1.38092218      2.99807310
  H     -2.54786035     -5.04533189      2.57402518
  O      0.78381075     -1.57169756      1.59131684
  H     -3.59467297      3.43462227      0.15834006
  H     -1.43527100     -4.03183499      2.93852661
  O      1.77210165      3.92089778     -1.09573202
  H     -3.73073279      4.96872585      0.08064404
  H     -0.12221391      0.81753779      3.38880403
  O     -0.93734224      3.74298641     -1.62314972
  H     -3.90129076      0.58340128      1.30236284
  H      0.22419440     -0.30090985      4.40863109
  O     -2.33882528     -4.11570654      2.58336780
  H     -2.69519230      0.65305763      2.24891762
  H     -1.55987445     -1.32610059     -0.92235761
  O      0.59852366      0.25808323      3.71759166
  H     -2.84328984      0.31320042     -2.08139913
  H     -1.03586088      0.11192534     -1.03759183
  O     -1.35159420     -0.63831200     -1.56627684
  H     -3.06513634      1.57157424     -2.93450152
  H     -0.87494794     -1.59122584      6.35126972
  O     -0.73252839     -1.55760021      5.40913568
  H      0.54238334      1.19872185      0.00588625
  H     -1.61144023     -1.58694126      4.99073801
          69
 Energy    -249.21095859917025     
  O      9.93122029      8.73561053    -13.37394513
  H     10.01832260      8.66992192    -14.33342615
  H     14.01405556     13.31690084    -12.19498710
  O     14.98556170      7.93546616    -15.37466302
  H     10.61349862      9.35407343    -13.08403012
  H     14.91542078      8.68745272    -12.20265576
  O     12.82164218      9.63691253    -15.53575446
  H     15.76589216      8.21757939    -15.87160050
  H     15.90965225      9.67049005    -12.91051955
  O     14.91207086      5.05930588    -10.58267479
  H     15.15141116      8.21820017    -14.46173621
  H      9.12923777      5.86531377    -12.24864931
  O     13.94510067      5.59741321    -14.33743020
  H     13.55912037      9.01194422    -15.58054182
  H      9.89729387      7.07987514    -12.82624160
  O     13.52377351      8.57342323    -11.10244688
  H     12.03368065      9.18040640    -15.85466865
  H     18.09148149      7.56045663    -11.10829635
  O     16.69356201     11.81074800    -15.86242175
  H     15.20617565      5.82838671    -10.07400906
  H     18.85677692      7.66206557     -9.76989938
  O     16.14002098      4.46137422    -12.88708491
  H     14.02209095      5.27717414    -10.89032326
  H     12.16283519      5.56304165    -14.98489063
  O     16.47003709     11.41269942    -13.08342229
  H     14.30822759      6.36286923    -14.80675258
  H     10.76422047      5.70011185    -14.33853931
  O     17.30962698      9.05780869    -16.29894435
  H     14.69532960      5.12128879    -13.96271770
  H     18.63607451      9.67925946    -11.42573323
  O     19.25679566      8.39214552    -14.27269884
  H     13.16436399      7.69697229    -11.30556698
  H     19.05583102      9.75439940    -12.90522465
  O     13.97957275     12.53858126    -12.74544439
  H     13.00306058      9.20932702    -11.61096356
  H     16.87266209      7.50812721    -12.75357077
  O     15.63272227      8.74816727    -12.84738464
  H     17.08592803     12.52897960    -16.35197033
  H     17.18272876      5.98418588    -12.81903528
  O      9.96079542      6.12674186    -12.63375408
  H     15.72947683     11.95010479    -15.88285048
  H     16.40454106      7.88815230     -9.66411826
  O     18.25738962      8.13535676    -10.34332270
  H     16.39270715      3.54255763    -12.91090378
  H     14.87163799      8.02236141     -9.83816308
  O     11.23372208      5.73895962    -15.18138903
  H     15.73000638      4.61973828    -12.01512045
  H     13.54287701     11.31610415    -15.70908721
  O     18.76909299     10.29435919    -12.15797103
  H     17.31280726     11.15258543    -12.68135022
  H     13.88214565     12.43532050    -14.70448249
  O     17.58891066      6.85224537    -12.71493709
  H     16.63368945     11.56714263    -14.02338930
  H     11.69229001      6.01800042    -12.03003997
  O     15.56131130      7.50092006     -9.40694372
  H     18.01931032      8.86569994    -15.67464669
  H     13.06431176      5.94237144    -12.75426302
  O     14.02508948     12.14998063    -15.61431544
  H     17.13958552     10.00565044    -16.22555487
  H     12.72358804     11.13479066    -12.73504499
  O     12.64550386      6.06644138    -11.89060804
  H     20.07247641      7.95370691    -14.50399255
  H     12.47028429     10.03343755    -13.78486698
  O     12.25433317     10.30440234    -12.87998755
  H     18.72494224      7.74860945    -13.77491304
  H      9.96453804      8.09181877    -16.90123780
  O     10.52284050      8.17665445    -16.13337604
  H     14.87871952     12.16896448    -12.76201951
  H     10.78689461      7.27542326    -15.87415806
          69
 Energy    -249.21094584896855     
  O     17.56068565      9.81037607    -14.57409659
  H     18.18140582      9.06755903    -14.57987426
  H     17.95359482      3.40526386    -14.83367177
  O     14.05614571      7.05243807     -9.32899034
  H     16.79155208      9.55304626    -15.09846868
  H     14.95142729      6.78638222    -10.92453097
  O     12.31771136      8.82889549    -10.73858320
  H     14.46878715      7.84795165     -8.94502623
  H     15.58094192      7.77155211    -11.94830630
  O     15.21527415      8.93176703    -15.77131360
  H     13.88853768      6.45244414     -8.60770124
  H     19.02680064      6.74378747    -15.79143965
  O     19.35481221      7.73962023    -14.26364994
  H     12.57612776      9.67257221    -10.34627999
  H     17.95745284      6.54504558    -16.89859485
  O     20.84037744      9.38723653    -12.53772515
  H     12.81048926      8.14900505    -10.26452087
  H     17.42126965     11.59365995    -10.55975679
  O     17.94870361      6.07800116    -12.52861524
  H     14.81361331      8.26661314    -15.19327804
  H     17.61117909     13.11748818    -10.38362663
  O     11.87869313      8.75549700    -13.37914175
  H     15.54350393      8.44486730    -16.53770966
  H     15.82630263      6.37790981    -17.11126940
  O     14.54679400     12.39245399    -11.72281407
  H     18.87509586      7.17785873    -13.63617105
  H     16.03795010      6.90077938    -18.55341863
  O     13.91287748     10.65302839    -13.88742420
  H     20.00413996      8.23973252    -13.75407701
  H     15.15883208      9.88352045    -12.69518253
  O     13.27411554     11.25172574     -9.61900564
  H     20.29727535     10.18517285    -12.66931548
  H     16.61863220      9.54009687    -13.04905153
  O     17.60842579      4.28344531    -14.69440465
  H     21.74765852      9.67535520    -12.48934490
  H     18.58488621     11.05653972    -13.67408639
  O     15.38441494      6.83497736    -11.78499082
  H     17.85975686      5.35827433    -13.16651770
  H     18.58807655     11.90469289    -12.38452974
  O     18.66541009      6.10062125    -16.41773028
  H     17.05178730      6.27537831    -12.22374742
  H     18.04256245      9.23118541    -10.11638009
  O     17.36222196     12.44943278    -11.01837675
  H     11.98401419      8.75601791    -12.40963801
  H     16.77698623      9.75159286    -10.82758692
  O     16.23550313      7.08844379    -17.63946238
  H     10.94237969      8.75341379    -13.55746396
  H     13.15021966      7.48970846    -13.93586348
  O     15.94715220      9.44161874    -12.35970751
  H     15.50670697     12.44079488    -11.63915485
  H     14.41171884      6.83015571    -13.31791359
  O     19.16705100     11.47181247    -13.02174326
  H     14.34640202     11.98803420    -12.57630553
  H     19.83887825      8.40330756    -11.24313311
  O     17.33596341      9.88857325    -10.04609429
  H     14.34108507     10.28801136    -14.67227522
  H     18.85457767      7.21631138    -11.18261944
  O     13.94706894      6.99044726    -14.15158882
  H     13.12515809     10.11244170    -13.74048125
  H     14.50310804     10.08789762     -8.75792819
  O     19.19525668      7.96152478    -10.67452769
  H     12.75735148     11.91931427     -9.17543860
  H     15.95356087      9.56855045     -8.87493164
  O     15.09711550      9.38579164     -8.46443605
  H     13.72108069     11.69313365    -10.36228536
  H     14.65511070      5.73531298    -15.31702028
  O     15.19116916      5.23814432    -15.95019778
  H     18.03772632      4.86089207    -15.35189666
  H     15.90190356      4.82457697    -15.44586549
          69
 Energy    -249.21047528631027     
  O     -1.31714520      4.73085064      2.40100108
  H     -0.81850917      4.15845095      2.99861679
  H      0.21663433      1.44150782      0.89461648
  O     -2.78246239      5.86847513     -0.88166657
  H     -1.92676582      4.17520944      1.89325761
  H     -0.15450676      4.05670055     -2.55911731
  O      4.54780147      6.52481528      0.68357165
  H     -2.69075963      6.46729243     -0.13086526
  H     -0.83135552      2.92235404     -3.38099734
  O      2.19232452      7.07954678      1.93951185
  H     -1.91346366      5.84264088     -1.30976923
  H      1.40200776      8.78052731     -2.59029139
  O     -0.20932833      5.65811703     -1.83653092
  H      4.71592732      5.67683044      1.10935452
  H      0.96182729      8.20632625     -1.22242751
  O      2.73857917      3.09331681      0.16947714
  H      4.25877513      6.33162596     -0.22108487
  H     -2.88598448      1.19132214     -2.88974761
  O      0.83436178      5.04376967      0.61352824
  H      2.23397460      6.49207887      2.70731127
  H     -2.29938763      0.82828572     -1.51738543
  O     -2.05299932      7.24498987      1.48794160
  H      3.06111383      7.03708203      1.50990511
  H      1.80290192      4.31943187      3.79684590
  O     -0.95506752      1.73764858     -0.52223314
  H      0.17701458      5.44131704     -0.97237278
  H      3.22841184      4.61044489      3.27753566
  O     -2.90322848      3.46791439      0.53336848
  H      0.22256340      6.47108293     -2.12615792
  H     -3.81626648      4.88329476     -2.12539481
  O      0.37063405      8.44640885      0.39503139
  H      2.07057800      3.77776964      0.33602772
  H     -4.61049336      3.56134510     -2.04704783
  O      0.89841718      1.51394443      1.57564446
  H      2.84889654      3.05661841     -0.78709028
  H     -2.76534169      2.62818037     -5.05678675
  O     -0.06390887      3.13027562     -2.83427902
  H      1.34025063      5.77320589      0.99972094
  H     -3.10100222      3.22793617     -3.67095828
  O      1.26473823      7.96473717     -2.11721895
  H      0.10968551      4.85639172      1.22138160
  H      0.56408554      2.41298016      3.01886604
  O     -3.07262711      0.69587500     -2.08283138
  H     -2.51060767      7.75555279      2.15222593
  H      0.29449995      2.43931991      4.54286215
  O      2.47628343      5.00593199      3.73740286
  H     -1.76699583      6.42333431      1.92014339
  H      3.13417005      2.91812555     -3.37149525
  O     -4.18084068      4.16818489     -2.66260804
  H     -0.55441497      2.18915635     -1.27664671
  H      1.72763123      3.17713616     -2.78760040
  O     -2.49694466      2.62588174     -4.14179885
  H     -1.59555977      2.35215164     -0.13681487
  H      5.26456020      3.33063730      2.17164550
  O      0.37137873      2.99792889      3.77393057
  H     -2.88295216      4.28621363      0.01522333
  H      3.97696836      3.57138814      1.35107764
  O      2.67638894      3.31755445     -2.63571682
  H     -3.69151601      2.98750197      0.25256956
  H     -5.78540212      1.64442995     -0.61466683
  O      4.54994302      3.94849299      2.03968507
  H      1.03811810      8.11562984      1.01569271
  H     -4.37653149      1.52279590     -1.24656746
  O     -4.98455078      2.13086933     -0.78831000
  H     -0.47316185      8.11532465      0.71917580
  H      3.12536476      5.19974187     -2.16363467
  O      3.43060909      6.04806180     -1.82665282
  H      1.65740055      1.90445407      1.12309592
  H      2.72335457      6.68447824     -1.98446804
          69
 Energy    -249.21022760694379     
  O     11.16550475     11.75389008     -8.98270096
  H     10.46396273     11.98069279     -8.37590451
  H     15.38873851     14.18798524    -14.35674900
  O     13.07081904      9.63053231    -16.71979506
  H     11.99606053     11.98556117     -8.53983645
  H     16.87719628      8.98693243    -12.13342902
  O     11.38442464      9.08565060    -10.20571511
  H     13.25680926     10.58185699    -16.82096661
  H     16.93312534     10.37085672    -12.78034369
  O     13.75058138      9.10363366    -14.06883907
  H     13.21769572      9.22953495    -17.57200140
  H     15.43421476      6.78396931    -12.53599064
  O     13.60586435     12.56677502     -7.81059036
  H     12.34294135      8.96323515    -10.13315248
  H     14.83035910      8.13040920    -12.99329626
  O     13.39546148     12.31524461    -16.87937004
  H     11.20266447      9.90296311     -9.72940717
  H     14.68948584     15.70453515    -12.43677941
  O     11.36227506      9.87012854    -12.84320298
  H     12.93729179      9.34532661    -13.60224493
  H     13.19854155     15.34979401    -12.59822654
  O     14.16158372      9.07037388    -10.19002585
  H     13.56106743      9.16188322    -15.01434284
  H     17.69246230     10.78124239    -10.71679573
  O     14.27492935     11.61366248    -11.36458761
  H     13.91315082     13.17006911     -8.51142778
  H     18.70521319     11.18729053     -9.62329369
  O     17.09123471     13.92768185    -10.94819232
  H     13.75072907     13.01428656     -6.98030438
  H     11.93963903     13.59810920    -13.01794406
  O     11.68736706     12.40159215    -11.71138752
  H     12.52155044     12.68568778    -16.70265421
  H     11.66933845     13.93536719    -14.50496116
  O     14.75418266     13.59487825    -14.77871773
  H     14.00032700     12.78643763    -16.29170948
  H     14.46684795     13.12930404    -10.45790217
  O     17.37361638      9.81252709    -12.12312099
  H     11.26227001      9.40447943    -12.00098316
  H     14.15098588     14.64964511    -10.54839781
  O     15.41469546      7.71654815    -12.33598002
  H     11.39687294     10.80351854    -12.59415022
  H     15.35362354     12.00385388    -14.19821705
  O     13.84240799     15.70886154    -11.97446159
  H     14.67594863      8.52006053    -10.79094050
  H     14.96259810     10.50402435    -13.97684570
  O     17.82508874     11.36338804     -9.94738827
  H     14.73620384      9.39348061     -9.47923106
  H     10.64849136     12.19587810    -15.76262540
  O     12.21892732     14.17104958    -13.74763372
  H     14.81618403     11.52501124    -12.15842926
  H     10.04336775     13.44573610    -16.44421167
  O     14.46417702     13.95673728     -9.94928766
  H     14.22913314     10.74602278    -10.94262068
  H     16.35115614     10.86997515     -8.83617464
  O     15.61309017     11.18456173    -13.75660387
  H     16.26976642     14.05878029    -10.45621655
  H     15.00581575     11.18386518     -8.12486731
  O     10.80521238     13.13642141    -15.96146510
  H     17.42883796     13.07399552    -10.65383001
  H     16.73409919     14.73926063    -12.45813226
  O     15.61158988     10.47197464     -8.35839322
  H     11.33133925     12.30685957    -10.82117917
  H     17.07932283     15.88548432    -13.43538202
  O     16.41392343     15.23282448    -13.23401992
  H     12.61953338     12.13757171    -11.64116292
  H     11.32705359     10.06571876    -15.97015655
  O     10.60251790     10.46848679    -15.47700621
  H     13.88634817     13.79823338    -14.39980774
  H     10.71212061     10.17448754    -14.56249757
          69
 Energy    -249.21019164486179     
  O     16.57776008     10.69258251    -15.06770700
  H     16.98921168      9.81548479    -14.99543089
  H     14.88069545     10.79567858    -14.25853744
  O     18.65746672      8.77655866    -12.03806355
  H     16.86153644     11.05660812    -15.90311077
  H     16.35796645      9.25018282     -9.56416529
  O     15.54627816     10.63510509     -8.68038581
  H     18.00939254      8.71576255    -11.32051353
  H     16.02105789      8.63315269    -10.94507090
  O     11.78178239      9.09478791    -13.57470835
  H     19.34270136      8.12628510    -11.84551517
  H     15.08053266      7.92409315    -12.98555832
  O     18.09245356      3.60360873    -13.11472446
  H     15.45019458     10.85271027     -7.75723937
  H     14.56391164      9.34880703    -12.66965278
  O     12.57031496      6.65428623    -14.86021852
  H     14.65340067     10.66498562     -9.07033417
  H     12.77118524      5.66143291    -11.92358579
  O     15.81207606      5.93138938    -10.13638897
  H     12.00563558      8.28684266    -14.05149895
  H     13.65674388      4.68092857    -12.70322211
  O     13.14617389     10.84020158     -9.92614040
  H     12.49476179      9.72113022    -13.75908231
  H     21.17673870      6.47172927    -11.11834664
  O     19.29494015      5.82681578    -14.11010825
  H     18.46784755      2.81623546    -13.49878033
  H     19.70070571      6.00454010    -11.11783732
  O     16.22229283     12.56282212    -10.72965505
  H     18.51553594      4.36320228    -13.55409142
  H     15.44736220      5.97975646    -13.82347692
  O     13.83130943     12.80075501    -11.90650915
  H     12.54864594      6.04242532    -14.10155536
  H     14.43897909      6.77838425    -14.69957365
  O     14.06095108     10.73369114    -13.75258308
  H     12.06076537      6.24888617    -15.55691519
  H     18.31555646     10.59131080    -12.38203102
  O     16.63883154      8.57777631    -10.19630364
  H     16.21156471      6.81129980    -10.06266138
  H     17.48127559     11.31460207    -13.45053004
  O     14.88858892      8.53603697    -12.26378204
  H     14.86210242      6.08881499    -10.06917550
  H     17.97658112      8.38024865    -13.68760524
  O     12.76865166      5.06087125    -12.68193559
  H     13.22881426     11.51822260    -10.60774384
  H     16.88685203      7.66656315    -14.56886804
  O     20.34015276      6.59188459    -11.55912644
  H     12.46983842     10.22225912    -10.22627585
  H     17.58787891      5.14020456    -10.26729151
  O     15.34458277      6.77606529    -14.36557810
  H     19.78327392      6.12647989    -13.33203635
  H     18.33264539      4.30836851    -11.33482499
  O     17.91014410     11.44126700    -12.59733980
  H     18.84007209      6.60271414    -14.45644153
  H     11.37461569      9.02184317    -11.87636137
  O     17.69464366      8.20151100    -14.59836281
  H     16.88019233     12.20166567    -11.34331404
  H     10.27814764      9.04505283    -10.78615044
  O     18.46650479      4.88116752    -10.56880461
  H     16.16039381     11.95261401     -9.98711599
  H     15.68750128      5.06206597    -11.76601646
  O     11.22080726      8.98426132    -10.91499457
  H     13.54908246     13.71033715    -11.93609362
  H     16.37150017      4.16305816    -12.83528498
  O     15.55901843      4.64087810    -12.62787642
  H     14.71513069     12.79058148    -11.49240312
  H     13.78320551      7.51820850    -11.22076481
  O     13.19822711      6.97709806    -10.66815694
  H     13.99221695     11.51752960    -13.19024320
  H     12.42047391      7.53068896    -10.53541970
          69
 Energy    -249.20931712852342     
  O     14.34450052      3.60216428     -9.51737770
  H     14.49313878      2.71818596     -9.19147169
  H     16.20535303      8.60423378    -11.18257603
  O     17.77885523      8.96862597    -13.57753907
  H     14.97047270      3.74135898    -10.24769852
  H     14.68135138      7.21463928    -12.24026141
  O     16.51883242     11.56199017    -10.43216156
  H     17.61537675      8.90409351    -12.62514729
  H     14.29780419      8.68031779    -12.48180481
  O     11.41790727      8.40130571    -12.82646171
  H     18.59755196      8.48754248    -13.74844236
  H     12.46888370      6.13077894     -9.89669648
  O     18.00370341      3.63315514    -13.43601905
  H     15.55845331     11.52836195    -10.59568488
  H     12.83436431      4.62934971     -9.95580524
  O     11.81514021      5.54328848    -12.89225489
  H     16.65873839     12.20545731     -9.74316116
  H     19.86537927      6.68252814    -13.14439139
  O     17.43984028      6.26697391    -10.06958920
  H     12.10555628      8.72894085    -13.42375288
  H     20.89690377      7.36903906    -14.07281757
  O     13.89991466     11.46969475    -11.12244303
  H     11.47592329      7.44015222    -12.86394334
  H     15.03289746      5.15004477    -12.70654457
  O     17.95320773      5.67422624    -15.22698263
  H     18.31550090      2.84468246    -13.87166740
  H     13.62564545      5.60159607    -13.23899261
  O     14.30536201     11.98929650    -13.92776995
  H     17.92892248      4.32109113    -14.12185976
  H     16.92148870     11.69125962    -12.32306541
  O     13.68263515      9.29026030    -14.17384002
  H     11.12949416      4.96272055    -13.21105895
  H     17.28023003     10.77424789    -13.51467778
  O     17.09541494      8.87195010    -10.89843871
  H     11.87894616      5.40777127    -11.92860521
  H     15.39211533      6.91376522    -14.46874564
  O     14.66950434      8.08472373    -11.81995979
  H     17.44425337      7.20076932    -10.32261746
  H     16.44779533      8.07248428    -14.50532538
  O     12.18238621      5.27731687    -10.24932767
  H     16.80070665      6.19552606     -9.34494045
  H     18.91273842      5.77130615    -11.13965670
  O     19.96201083      7.24946325    -13.93077521
  H     13.12199210     10.94195374    -10.90790661
  H     19.09648404      4.78789187    -12.31512244
  O     14.57692252      5.76238794    -13.29819790
  H     13.85263023     11.68577709    -12.06148567
  H     10.76770873     10.19170188    -10.29483748
  O     16.90240940     11.63411895    -13.28652374
  H     17.20784061      6.27011231    -15.36474477
  H     11.49737516      9.31367881    -11.33612090
  O     15.79544306      7.58944408    -15.03531666
  H     18.68890391      6.23022759    -14.93990754
  H     16.73881547      3.93273151    -12.15648909
  O     19.50246499      5.54126734    -11.86965869
  H     15.26391892     11.91484247    -13.76698869
  H     16.57885596      4.99842112    -11.03276687
  O     11.62260663      9.83644027    -10.52355318
  H     14.17249057     12.77037638    -14.45728098
  H     14.92244515      5.20904370     -8.55618481
  O     16.11820868      4.28941719    -11.50773339
  H     13.89076750     10.23189622    -14.22285057
  H     14.61049390      6.71653064     -8.55720962
  O     15.29896740      6.07212557     -8.34815827
  H     14.35898693      8.80170635    -14.65983701
  H     12.62404597      8.47301505     -9.54003038
  O     13.26596227      7.75859008     -9.46735112
  H     17.01667909      9.78259720    -10.59082707
  H     13.80629175      7.84866411    -10.26762934
          69
 Energy    -249.20919644647677     
  O     16.52270042     10.08396491    -15.28116288
  H     17.32390958      9.54152675    -15.24006901
  H     13.73900367     11.99084897    -12.61453833
  O     14.57367317      7.97154749     -9.24579373
  H     15.79653429      9.51557747    -15.57345118
  H     16.84326841      4.47656283    -14.90251648
  O     16.87445659     12.72329546    -14.71757454
  H     14.41634761      7.47566221     -8.44632664
  H     18.04674454      3.55121147    -14.60079894
  O     12.43572507      8.99045769    -10.89300678
  H     15.14606832      8.71922469     -9.00089451
  H     15.69614992      8.15835118    -12.07477871
  O     14.51245050      8.30399914    -15.88221766
  H     17.06440575     13.21742597    -15.51177490
  H     15.30808077      7.31425906    -10.84491970
  O     18.72015421      8.47763155    -14.93748527
  H     16.72113775     11.80331973    -14.99445406
  H     18.16312005      5.68149102    -16.10667988
  O     20.67218572     10.06319763    -13.72264056
  H     13.13076625      8.68596558    -10.29961638
  H     18.44243482      7.18620293    -16.25268319
  O     18.08942685      6.66201934    -12.91799295
  H     12.74274090      9.81788406    -11.29093700
  H     16.54496462      6.48281768    -17.43146971
  O     11.47990175      7.61583335    -13.01219948
  H     14.80900380      7.74593019    -16.61190623
  H     15.59395158      6.31188035    -18.64069611
  O     14.76468718     13.44999911    -12.97994200
  H     14.34046465      7.70735393    -15.13923775
  H     16.07663316      9.90969396    -13.52370466
  O     12.40093127      9.79391100    -14.66628996
  H     19.46684016      9.00415182    -14.62605845
  H     14.95887366     10.27143415    -12.49977624
  O     13.38542721     11.10568423    -12.45603868
  H     18.48126485      7.87311635    -14.21886966
  H     18.28526942     12.34122468    -13.45851012
  O     17.78464451      4.46637184    -14.65122787
  H     20.12493234     10.82179058    -13.45044382
  H     18.58670495     11.65232399    -12.10208408
  O     15.63969777      7.24579037    -11.74722375
  H     21.55554696     10.39390707    -13.85907037
  H     17.09768830     10.27691943    -11.45648922
  O     18.14740494      6.40727256    -16.74284683
  H     18.03355868      5.84473964    -13.42870448
  H     18.48350288      9.77957038    -10.94541034
  O     15.60872356      6.47208523    -17.70124342
  H     17.24559982      6.77133593    -12.45767492
  H     14.50153971      6.69275296    -13.04514393
  O     15.81016006      9.82372090    -12.60084023
  H     11.77562483      8.07541772    -12.20487887
  H     13.03272822      6.78380733    -13.54593383
  O     18.99915910     12.03218753    -12.88986718
  H     10.58278291      7.33417799    -12.85708164
  H     19.22041751      7.78059041    -11.88453045
  O     17.81641505     10.47506941    -10.83665398
  H     15.49451916     13.23469112    -13.57849928
  H     20.15655853      8.96736199    -12.18834219
  O     13.92510860      6.51847990    -13.80195165
  H     15.06943765     14.18228841    -12.44865158
  H     16.83616592     10.25544897     -9.35710560
  O     19.66648767      8.53540656    -11.47848605
  H     13.06022124      9.38420377    -15.23980701
  H     16.21358169     10.84013747     -8.07940142
  O     16.20158327     10.07273695     -8.64541823
  H     11.96137496      9.06393926    -14.21204707
  H     15.22809714      5.18200964    -16.29766363
  O     15.21182469      4.69049121    -15.46780032
  H     13.00471946     10.77555456    -13.28535007
  H     14.67748634      5.21843370    -14.85779048
          69
 Energy    -249.20896663859867     
  O     16.84701518      4.95353919    -15.85527448
  H     17.06768885      5.89304738    -15.83469946
  H     17.67559965     10.95785832    -15.14053737
  O     17.16421351      6.45410264     -9.07928256
  H     15.89690475      4.91497938    -16.02387440
  H     16.55262069      8.17787565    -12.40027542
  O     13.63551650     11.26626046    -10.61282556
  H     17.35298164      5.98486182     -9.90237224
  H     15.01294305      8.17760599    -12.10512573
  O     17.17431833      3.29686612    -13.71998145
  H     17.33531693      7.39072501     -9.23961505
  H     14.02206123      4.48073388    -15.03792464
  O     12.05399220      9.06639166    -10.68292555
  H     14.17265628     11.40282340    -11.40423828
  H     13.36040381      4.47378007    -16.43649660
  O     14.63920404      5.78613508     -8.41702517
  H     14.24676236     11.17932312     -9.87111739
  H     15.20310889     11.03240544     -7.48446104
  O     13.42722380      7.39955647    -12.45342996
  H     17.14924017      3.88705577    -14.49470767
  H     14.69588078      9.80363675     -8.27507793
  O     19.10447242      9.69228227    -11.90534763
  H     17.72232787      2.55410926    -13.95839535
  H     14.38879463      5.31021995    -10.21821110
  O     13.63450647      8.43093580     -8.37805323
  H     12.57103424      9.89265889    -10.69461636
  H     15.43932396      5.23692166    -11.34823676
  O     17.01710747      7.75867998    -15.49626855
  H     11.13476620      9.31811158    -10.65094676
  H     16.92644555     11.67473653    -13.22455065
  O     17.23986659      5.19522899    -11.63438864
  H     15.57045710      6.02629845     -8.58179311
  H     18.08750737     12.69497640    -13.29053502
  O     17.45255750     10.50664056    -15.96926826
  H     14.63517329      5.19445289     -7.66942116
  H     16.75565435      9.77695775     -9.15278254
  O     15.83364000      8.66874647    -11.98175242
  H     13.68264598      6.58729985    -11.99208812
  H     16.72231427      9.02056151    -10.48799768
  O     13.98224794      4.94850020    -15.89170913
  H     12.86370590      7.92166708    -11.86794464
  H     15.48486399     10.30006461    -12.53992626
  O     15.26202548     10.59579647     -8.33011080
  H     18.63157692      9.65350067    -11.06225731
  H     14.88900653     11.03394724    -13.76955856
  O     14.48627923      5.20939218    -11.17230927
  H     18.74618103     10.44446157    -12.38935224
  H     14.07717758      6.76624639    -15.47978804
  O     17.85204835     11.79461072    -13.50113791
  H     13.01947353      8.52582314     -9.11496487
  H     13.90213618      7.58903470    -14.18692613
  O     17.29916531      9.23644142     -9.73782537
  H     13.92565441      7.51105275     -8.37220403
  H     14.22589814      4.09453985    -12.68009329
  O     15.27475975     11.17964106    -12.89313557
  H     17.23772606      8.66161649    -15.75243292
  H     15.26650763      3.37670972    -13.55660504
  O     14.24937216      7.63229258    -15.08953138
  H     16.06314194      7.74068545    -15.32601158
  H     15.46188979     10.48455259    -15.80819931
  O     14.34080945      3.65113211    -13.52990447
  H     17.61318807      5.95542419    -12.10707455
  H     14.33836884      9.49968361    -15.42698721
  O     14.56877413     10.43848566    -15.44826012
  H     17.30661666      4.44917745    -12.24207537
  H     17.85673211      7.51092436    -13.91770130
  O     18.09473845      7.38758648    -12.98928917
  H     17.94127190     10.94736163    -16.66074566
  H     18.60194983      8.15403558    -12.68304058
          69
 Energy    -249.20855767521800     
  O     10.90314248     10.16721145    -15.18937350
  H     11.21176159     10.05374473    -16.09701900
  H     16.87339853      6.75082579    -14.71209998
  O     15.23521209      7.35228233    -11.37593621
  H     10.98530075      9.31115113    -14.75283683
  H     18.98425693      8.00013352    -15.68414369
  O     16.54609199     11.68694385    -14.00607391
  H     15.63390280      7.09809311    -12.21756433
  H     18.90734736      9.12801178    -14.63868065
  O     12.05151135     10.29595020    -17.86084764
  H     15.87462730      7.94042269    -10.95963817
  H     16.66940672     10.03707051    -10.31447866
  O     14.10266547     10.38528656    -13.72473949
  H     17.06301429     10.92154536    -13.71437969
  H     17.70376279      9.12756103     -9.60957088
  O     12.74730562     13.46288268    -12.02289691
  H     16.40955415     11.60740687    -14.96144008
  H     16.89379575     11.04703893    -17.08829641
  O     12.51909218      7.98205280    -11.49633663
  H     12.52897755     11.12769946    -17.68662180
  H     15.49136711     10.44134691    -16.84762796
  O     12.37630555     12.37750763    -14.62569762
  H     11.53590629     10.43666350    -18.65059015
  H     14.67932726     11.08791504    -10.41285259
  O     16.93407177      7.95504694    -18.15489599
  H     13.50704313     11.03042533    -14.13054532
  H     15.68488299     12.17184981    -10.81854656
  O     13.02240358     10.73294091    -11.18420911
  H     14.98838406     10.76446053    -13.76160939
  H     11.67551220      7.73834879    -12.98083054
  O     17.97989521      6.42913717    -16.17431281
  H     12.44770436     14.25104027    -11.57605598
  H     10.60756865      6.94904908    -13.77276471
  O     16.33710815      7.10366758    -13.99207014
  H     13.71216672     13.53472740    -12.10234427
  H     14.44027786     12.23774108    -17.04318830
  O     19.27825642      8.90151905    -15.50133076
  H     12.52008631      8.89549854    -11.18669190
  H     13.14783208     12.60355928    -16.27042994
  O     17.23345141      9.25197770    -10.42949404
  H     13.43699736      7.68054963    -11.42384346
  H     17.71421564      9.33608528    -12.21200014
  O     16.03657060     11.22351210    -16.67979800
  H     12.29471121     12.79672585    -13.76304176
  H     17.23076658      8.59117475    -13.47759892
  O     15.58508364     11.39269626    -10.26228707
  H     11.69852330     11.68683103    -14.71771877
  H     15.92726768     12.91376920    -12.90803515
  O     11.27503542      7.62333211    -13.86296598
  H     17.46829356      8.75817378    -18.16955969
  H     16.13929128     14.27860809    -12.22101000
  O     13.51304463     12.47850169    -17.15893845
  H     16.02641213      8.24194173    -17.98227525
  H     13.63718000      9.34075223    -17.63851093
  O     17.74545084      9.35532386    -13.17662488
  H     12.70423602     11.63240083    -11.31579761
  H     14.25719208      8.51161533    -16.49189981
  O     15.55815563     13.52198993    -12.24419356
  H     13.41388342     10.47483010    -12.03470948
  H     19.24856672     10.68421960    -18.13571993
  O     14.46817700      8.97021866    -17.31811592
  H     17.57877309      6.90340611    -16.92487334
  H     18.83797508      9.87349542    -16.88244539
  O     18.49482315     10.33119930    -17.67134378
  H     18.31688305      5.60558390    -16.51612262
  H     13.95941515      8.77846488    -14.42051238
  O     13.85820453      7.91860884    -14.86138388
  H     15.45681574      7.28887556    -14.35087773
  H     12.97447456      7.61313768    -14.62797344
          69
 Energy    -249.20830596634647     
  O      1.57996490     -0.32051707      4.03478588
  H      2.40707910     -0.43276629      4.49580445
  H     -3.25289826      3.60978753      0.50004260
  O     -1.70443246     -1.57473445     -3.46587357
  H      1.75302733     -0.51162512      3.09462294
  H     -3.39524019     -0.82401541      5.27086301
  O     -0.65249058     -2.07660781      4.46011591
  H     -0.98543617     -1.13147755     -2.98588544
  H     -2.46591669      0.31243217      5.72844251
  O     -3.86280282     -0.73298746     -1.81677874
  H     -1.46034798     -1.57193886     -4.38818931
  H     -0.58699951      3.45613934      0.74678118
  O     -1.73886219     -3.74804230     -1.54291395
  H      0.13681270     -1.52645937      4.40084930
  H      0.27388507      2.88944061      1.90590042
  O     -0.06555427     -2.38878196      0.17395621
  H     -1.26169241     -1.62188202      5.06046827
  H     -1.22365674      0.75863577     -1.34601733
  O     -4.44553951     -1.02104439      3.52059364
  H     -3.83480913     -1.43565888     -1.15039413
  H     -2.75790629      0.62445902     -1.28972890
  O     -0.03919379      1.88547677      3.45498072
  H     -3.26906554     -1.00918299     -2.52525307
  H     -1.81096955      0.92638719      0.75749700
  O      0.14485939     -0.39149284     -1.76476333
  H     -2.55218595     -3.59444541     -1.04472820
  H     -1.08073695      1.07434764      2.14572230
  O     -5.11991014      3.03806865      0.97990738
  H     -1.78116328     -3.16113628     -2.30719245
  H     -4.70837821     -2.55702845      0.52110223
  O     -3.90320030      1.68457221      3.06558302
  H     -0.66700402     -2.30204419      0.92278134
  H     -3.20266022     -2.56560976      0.85836884
  O     -2.34515261      3.66423297      0.18602231
  H     -0.49913477     -3.00634733     -0.43355634
  H      1.94722302     -0.01154436      0.78655719
  O     -2.62134062     -0.63598964      5.81282611
  H     -4.36242933     -0.06305093      3.40132811
  H      1.36123660     -1.43088796      0.97220702
  O      0.30021406      3.14523816      0.97505225
  H     -3.64589062     -1.41980140      3.15208733
  H     -2.92047247      2.10425255      4.49685432
  O     -2.02489190      1.20292745     -1.04265783
  H     -0.69849949      2.02801558      4.14487629
  H     -2.51685946      2.89954030      5.76143655
  O     -1.79285990      0.62374983      1.67378280
  H      0.54491666      1.17389579      3.74957316
  H      1.26334161      2.07446585      0.01982276
  O     -3.83670349     -2.72576359      0.14428333
  H      0.80567596      0.24311034     -1.45827056
  H      2.58932713      1.89834562     -0.75408756
  O      1.90904197     -0.75816132      1.39580815
  H      0.08153550     -1.07704519     -1.08241513
  H     -1.55827720     -2.17168303      2.98495059
  O     -2.25858461      2.16763103      5.20639301
  H     -5.83209826      3.64136038      0.78500392
  H     -1.96407384     -1.05406923      1.96737353
  O      1.80989477      1.43047601     -0.46596030
  H     -5.33758137      2.19923215      0.53473889
  H     -6.96385848     -2.14495492      1.77243717
  O     -2.07178306     -1.99660408      2.18005966
  H     -4.42203793      2.23951891      2.47100189
  H     -5.64928138     -1.50961379      2.28038928
  O     -6.15490916     -1.73169096      1.48084980
  H     -3.16657379      1.34195132      2.53405197
  H     -5.16739436      0.23633172     -0.85365425
  O     -5.68094702      0.61681224     -0.13000049
  H     -2.25159685      2.91241488     -0.41792236
  H     -5.94853539     -0.13049077      0.41752454
          69
 Energy    -249.20811231609304     
  O     13.88334126     11.92853256    -14.52681074
  H     14.82595395     12.10753825    -14.46488407
  H     13.05730658      6.85745475    -16.45475270
  O     14.90204493      6.37594437    -13.90680902
  H     13.75943324     11.36895409    -15.30822475
  H     20.04065249      6.14826438    -15.39796288
  O     18.30844436      8.31179036    -11.62265420
  H     14.29515757      6.47783869    -13.16220369
  H     19.67235758      7.42941117    -14.60548802
  O     18.73727379     10.96150484    -15.37761951
  H     15.08110626      7.27495624    -14.22296435
  H     14.80921613      9.28505048    -15.25348961
  O     11.60561240      8.07257077    -16.07852045
  H     18.26037081      8.13208109    -10.67567886
  H     16.26050515      8.74186388    -15.33096155
  O     15.17765939      8.07440640     -8.76347259
  H     17.99319136      7.51547250    -12.07655133
  H     12.87310373     11.38299700    -13.20972600
  O     13.29360887      7.02552643    -11.72024259
  H     19.22540137     11.59302039    -15.90222791
  H     11.67035784     11.71209120    -12.29613673
  O     16.37714884     10.08013368    -12.43321775
  H     18.03889638     11.45994561    -14.92676376
  H     17.13328890      5.34507621    -11.25746483
  O     15.26373930      8.40254012    -18.00432509
  H     11.53255955      8.16168768    -15.11147918
  H     17.32972676      5.91237528     -9.83544093
  O     14.27585980      5.47774635     -9.60304199
  H     10.72278570      7.93499346    -16.41079484
  H     12.02046820      7.83559904    -12.82281248
  O     17.67511888      8.53651371    -16.43895561
  H     14.76683750      8.69032619     -9.38438231
  H     11.73101650      9.32716271    -13.10101077
  O     13.89125376      6.39328745    -16.60130337
  H     14.76236531      7.21726180     -8.92118184
  H     19.53235299      8.81874231    -12.92494569
  O     19.30312427      6.65753640    -15.07199965
  H     13.50400368      6.41192976    -11.00599761
  H     19.64584795      9.68933237    -14.20365569
  O     15.53084121      8.92475150    -14.72318631
  H     13.61270486      7.89435305    -11.43637865
  H     18.07872956      6.07515916    -13.72946718
  O     12.31751393     11.03837922    -12.48845765
  H     16.03162397      9.65044306    -13.23395791
  H     16.57242215      6.06018701    -13.33304337
  O     16.87993461      5.21919150    -10.33370228
  H     17.08938458      9.52301472    -12.09224420
  H     16.89797467      7.82162311     -8.84873965
  O     11.53740472      8.43345300    -13.40779294
  H     16.17043483      8.40780388    -17.67802902
  H     18.25923728      7.66534630     -8.12785057
  O     20.01919994      8.92218080    -13.75505087
  H     14.84617500      7.61568425    -17.61994584
  H     13.44523560     10.12938859    -11.30962779
  O     17.47425937      6.02637983    -12.98016034
  H     13.97841328      4.70376132     -9.13290777
  H     14.94993051      9.79583915    -11.37550816
  O     17.83384808      7.58228640     -8.97669949
  H     15.19031272      5.30047404     -9.88818715
  H     16.63057693     11.58193874    -13.27862026
  O     14.13067951      9.58304386    -10.90578823
  H     18.21660664      7.82011626    -16.08448806
  H     16.84353152     13.10998767    -13.40297732
  O     16.75805551     12.30879488    -13.91473723
  H     18.09748108      9.36679635    -16.18383553
  H     12.84670616      9.41857757    -16.39861609
  O     13.62325964      9.98636807    -16.48677735
  H     14.21670244      6.16762316    -15.72193132
  H     14.19287124      9.56844251    -17.15183025
          69
 Energy    -249.20687359192513     
  O     17.65503371     10.73983434    -16.54199514
  H     17.47093663      9.96585727    -17.06840828
  H     17.71318908     13.72756659    -17.97516788
  O     19.22012904     17.63645282    -14.06570261
  H     17.74155266     11.48606695    -17.16209702
  H     13.81095028     13.56896875    -10.89712205
  O     20.32834170     11.45495386    -15.74844371
  H     18.32483066     17.29485128    -13.93016682
  H     14.41638306     13.81642271    -12.29874507
  O     16.81007427     15.45950611    -11.14842909
  H     19.47215623     18.09430550    -13.25432668
  H     20.48526794     16.32135627    -14.11511003
  O     14.87475123     16.05494695    -15.82486717
  H     20.31462352     11.94794795    -14.91556732
  H     21.48266343     15.61548268    -15.06386424
  O     16.68345895     11.73684955    -11.87552914
  H     19.43971071     11.10495679    -15.88198687
  H     18.14802906     14.17132642    -11.20271058
  O     14.18316409     13.87554988    -14.03003250
  H     16.75499990     15.89551873    -12.01043870
  H     19.50745367     13.82313614    -10.55999148
  O     20.98709397     13.01347204    -17.83640577
  H     16.02273411     14.90496143    -11.07878575
  H     16.55742059     11.34626076    -15.16717371
  O     21.66547166     15.54055396    -16.92885669
  H     15.63528384     15.80813027    -16.37770497
  H     16.32012311     11.64236685    -13.63388471
  O     18.76410503     16.86454213     -9.70892217
  H     14.28483983     16.55671683    -16.38153857
  H     20.08786357     16.66532463    -16.97511172
  O     20.14212198     13.17693316    -13.58385076
  H     17.49381393     12.16190652    -11.56922747
  H     19.25581257     17.47988155    -15.96921579
  O     18.10406775     12.87084790    -18.19147737
  H     15.96303673     12.30833825    -11.58017257
  H     21.82685751     16.15871222    -12.43839749
  O     14.63507235     13.70963353    -11.35536142
  H     14.33836893     14.58944514    -14.65738448
  H     21.60669525     15.89664242    -10.92383215
  O     21.19744539     15.66518848    -14.14397311
  H     14.71217917     13.12214510    -14.33100629
  H     20.82573224     17.93093827    -11.54065842
  O     18.83556134     13.49106155    -11.16814032
  H     21.45942189     12.48010644    -18.47092628
  H     20.50684679     19.43056566    -11.32383643
  O     16.05323080     11.87519963    -14.53774287
  H     20.80858474     12.43937206    -17.06840664
  H     20.97390238     14.78633369     -8.67313003
  O     19.25920623     17.14873623    -16.87694756
  H     21.42760993     14.66194147    -17.26528532
  H     19.98259532     15.63101547     -9.51201564
  O     21.90689200     16.55630516    -11.56111032
  H     22.44376604     15.81685240    -17.40760761
  H     17.13297294     13.30935926    -14.61449565
  O     20.11538217     18.59780851    -11.57435084
  H     19.08405038     17.54361796    -10.31471118
  H     18.61110218     13.73469673    -14.37160376
  O     20.64861315     14.92006496     -9.55937354
  H     17.99184104     16.45932925    -10.12768098
  H     17.87692638     16.01664170    -17.13436455
  O     17.75662206     14.04323027    -14.69399959
  H     19.74009632     13.20808380    -12.70475298
  H     17.46544356     14.79821894    -16.27829814
  O     17.22612855     15.30204153    -17.07284504
  H     20.60096654     14.01746584    -13.72451583
  H     17.15245685     15.54292205    -14.00001365
  O     16.77014617     16.39833889    -13.74041456
  H     19.05851355     13.00675244    -18.18190383
  H     16.02000987     16.52522847    -14.33063748
          69
 Energy    -249.20615681773882     
  O     11.97121715      9.18590378    -11.11723806
  H     11.66825764     10.01920796    -11.49762891
  H     10.98340189     10.72918050    -16.01665128
  O     15.15239096     10.39620422    -12.84296868
  H     12.68048854      9.38485911    -10.49428720
  H     15.72493853     13.89194335    -13.77770746
  O     17.26591423     13.72393276    -12.88834687
  H     16.03076373     10.49100350    -12.45488578
  H     15.03475517     13.26580471    -15.02120661
  O     11.22732736     11.35042202    -12.83169754
  H     14.60898100     11.11852974    -12.50402949
  H     14.52958167     11.34498870     -9.43737769
  O     12.42974538     14.63019537    -15.32949751
  H     17.87890726     13.07989686    -13.26245043
  H     14.27283648     12.48935551    -10.44100717
  O     15.12719672     12.16786964    -16.53289788
  H     17.26821249     13.55937326    -11.93791344
  H     16.76530925     11.20042564    -16.21628049
  O     16.27161321      8.28211752    -10.49173958
  H     10.75858814     12.08301404    -13.25170099
  H     17.11234670      9.75207315    -15.77515767
  O     13.60521536     12.56253447    -12.11800857
  H     11.33857686     10.67424655    -13.51509653
  H     17.72633149     13.30281640     -9.41275097
  O     14.24864312      9.86620152    -15.36410399
  H     12.54983834     14.25556969    -16.21077257
  H     16.39163189     12.68708988     -9.89835714
  O     18.95469986     11.58112660    -13.83185477
  H     13.27951001     14.51893271    -14.88240637
  H     11.66869605      8.57379315    -14.29042246
  O     14.13821573      9.50864676     -9.28748937
  H     14.43202047     12.54877771    -17.08303967
  H     12.53341660      9.56628118    -15.08441138
  O     10.83690097     11.56777051    -16.47075586
  H     14.74435643     11.35219768    -16.17367094
  H     15.93245323      7.73771305    -14.55580754
  O     14.87670826     13.80907632    -14.23823169
  H     16.88577470      8.95592884    -10.81524020
  H     16.57623296      7.14944923    -15.83124052
  O     14.75445694     12.26264172     -9.63188860
  H     15.94776070      7.81828378    -11.27351464
  H     12.44360481     13.27679496    -18.61568016
  O     17.47675242     10.63722019    -15.88501253
  H     12.74038449     12.21816661    -12.37682719
  H     12.06861622     12.47940455    -17.34562025
  O     17.31932401     12.85286498    -10.14751778
  H     13.97479279     13.06348210    -12.85879453
  H     12.09593835      7.90809823    -12.25648635
  O     11.62153746      9.38666805    -14.80582731
  H     14.56042210     10.14948591    -14.48856652
  H     11.66491222      6.50284325    -12.74137242
  O     16.27917153      7.96464580    -15.43503701
  H     14.81631113      9.12696793    -15.61303887
  H     17.61313190     11.25489020    -11.01664335
  O     12.73451747     13.07739926    -17.72975777
  H     18.45295426     11.24907754    -14.59729000
  H     18.21673193     10.75115624    -12.34868657
  O     12.20272435      7.25504881    -12.97397944
  H     19.85448903     11.69848040    -14.12425681
  H      9.49062089     14.07246645    -14.28631173
  O     17.66755810     10.48481265    -11.59976989
  H     14.90315287      9.06098504     -9.68769052
  H     10.98533882     13.92819536    -14.66037451
  O     10.19212591     13.43448266    -14.38293741
  H     14.02483179      9.12787883     -8.41962910
  H     15.00963344      8.59891322    -12.83310353
  O     15.01996941      7.63838491    -12.97827325
  H     10.47549638     12.16773565    -15.80594813
  H     14.09424340      7.36753161    -13.00933194
          69
 Energy    -249.20573783060485     
  O     -0.35598742      0.44408140      1.97926582
  H     -1.04739880     -0.09734294      2.39930963
  H     -0.65052263      5.65152003      1.65649635
  O      1.11151628     -0.87892589      5.93196983
  H     -0.81652731      1.16276052      1.52905479
  H     -2.96355743      4.48173224      5.09467186
  O     -5.01526029     -3.21309030      2.49972607
  H      1.91190282     -1.06292396      6.41608926
  H     -2.85211574      5.00637748      6.54643921
  O     -3.60504323     -1.56714827      0.64333162
  H      1.05984613     -1.53455142      5.21266557
  H     -2.35600656      2.50403369      6.10297632
  O     -1.99575111      2.44378523      0.92616379
  H     -4.73647075     -2.64780750      1.76782056
  H     -1.39399905      1.49190269      5.43570917
  O     -3.20840722      0.72487139     -0.90852928
  H     -4.42196803     -3.97211628      2.46614758
  H     -2.80131529      4.85291254      2.88661260
  O      0.73256283     -1.94311904      1.15403269
  H     -3.52896471     -0.80717703      0.05277074
  H     -4.00052128      3.90026364      3.05410760
  O      0.82991849     -2.66018529      3.93559059
  H     -3.17390734     -1.32228244      1.47604741
  H     -0.61760145     -0.98157306      6.75538850
  O     -1.79389837     -3.47065643      4.27300508
  H     -2.83004504      2.35834665      1.41155463
  H     -1.84300749     -0.05417476      6.83974441
  O     -2.86062430     -5.14073290      2.32293316
  H     -1.62655319      3.30207909      1.16840120
  H     -0.80027670      4.30310200      5.03561001
  O     -4.45808828      2.25340321      2.23845591
  H     -2.70973525      1.37733661     -0.39441855
  H      0.15429859      3.22886555      4.47498695
  O     -1.09190638      4.87151274      1.98103846
  H     -3.10557497      0.97536012     -1.82359702
  H     -3.01093474     -0.50594655      3.55513496
  O     -2.51183091      4.34775965      5.94721065
  H      1.46846692     -1.84615624      0.55428107
  H     -2.19593874     -1.84302622      3.50144449
  O     -2.20005777      1.56138011      5.96776419
  H      0.42122555     -1.04580254      1.35964070
  H     -2.60109620     -2.28241675      6.86017942
  O     -3.55616386      4.65754317      3.45549508
  H     -0.04820784     -3.04317978      4.07844751
  H     -3.34013816     -3.49667864      7.47350470
  O     -1.52990459     -0.93952097      7.06584073
  H      0.89567379     -2.48950190      2.98992188
  H     -4.58090454     -2.32060368      5.55474827
  O     -0.09393772      4.16016249      4.39405225
  H     -2.28583082     -3.45966350      5.10370186
  H     -5.17454277     -2.36053512      4.11920392
  O     -2.34402180     -0.99735762      3.06033098
  H     -2.18301080     -4.13835063      3.69340712
  H     -0.79934266     -3.05069113      0.71211210
  O     -3.17402014     -3.04322741      6.65181972
  H     -2.86555055     -6.05332649      2.04909326
  H     -2.30320578     -2.87000091      0.40430864
  O     -5.15485947     -1.84845179      4.94169339
  H     -2.38142931     -4.64211022      1.63546396
  H      0.11354428      1.07524525      3.63595164
  O     -1.61295400     -3.53586189      0.53602595
  H     -5.17634270      1.96297698      1.68131624
  H      0.62492551      0.66505334      5.04489760
  O      0.21740959      1.38437599      4.54600421
  H     -4.43446081      1.65181222      3.00301162
  H     -3.61177626      0.91613369      5.02465203
  O     -4.23367608      0.60531503      4.35315409
  H     -0.65836482      4.63138668      2.82022858
  H     -4.66900553     -0.20795136      4.65504826
          69
 Energy    -249.20556386233113     
  O     12.72450774      9.66056060    -11.46306374
  H     12.04695541      8.99395114    -11.30304869
  H     11.49116209     13.19491228     -9.47021464
  O     13.51822958      6.91422487    -14.03120774
  H     12.28320839     10.43942632    -11.82844599
  H     11.02472702      9.13413237     -7.85987905
  O     11.55864753     11.99365163    -12.42158666
  H     12.90806498      6.51027925    -13.40117126
  H     12.16284939      8.09396909     -8.03638857
  O     13.93991453     10.37152829     -9.10798891
  H     13.06409891      7.66928110    -14.42375260
  H     10.15894719     11.12985207     -6.53309108
  O     14.34123824      6.47072228    -10.41431906
  H     11.24657546     12.47649850    -11.64667122
  H     11.23725851     11.53849232     -7.55714746
  O     12.61437673     15.33010708    -11.29309503
  H     12.36843101     12.43413706    -12.70986011
  H     14.18215282      7.29683497     -8.89656267
  O      8.57154286      9.44818069    -11.66298397
  H     13.46217219     10.12170934     -9.91416921
  H     14.55287245      7.32103021     -7.39536354
  O     13.93822128     13.35643255    -12.86498984
  H     14.12007376      9.54805356     -8.64116575
  H     14.99127549     11.53389130    -10.12226348
  O     14.42606419     14.28120745     -9.30169602
  H     14.98096188      6.65941642    -11.11109140
  H     15.64472693     11.31552071    -11.47531138
  O     10.67721597      7.83286962    -10.81176591
  H     13.55461166      6.14462391    -10.86763039
  H     12.93195507      9.90747565    -15.07463441
  O     15.89204984      7.03232704    -12.75190832
  H     12.24125806     16.19909427    -11.41778539
  H     12.24743422      9.13857847    -16.22270569
  O     10.88445600     13.49205740    -10.16273310
  H     11.90796809     14.77395923    -10.92339918
  H     10.49729254     10.91835587    -13.40624515
  O     11.22364984      8.25068354     -8.19309218
  H      9.04577919      9.68729452    -12.48081004
  H     10.72523580      9.71349318    -14.32675036
  O     10.52205131     10.90417084     -7.38685964
  H      7.66919831      9.26562172    -11.91142059
  H      8.83988791     10.84544132    -10.36721098
  O     14.05592137      7.78560067     -8.06304877
  H     14.47780991     12.94182496    -12.17591166
  H      9.39676977     11.20247723     -8.96439016
  O     15.40873305     12.01517179    -10.85040228
  H     13.56319440     14.15390530    -12.47128136
  H     14.68982207     10.60577562    -14.00363627
  O     12.30349430      9.19043570    -15.27105114
  H     14.95135463     13.65094470     -9.81002817
  H     14.10145847     11.99315305    -14.28093629
  O     10.05043083     10.15229620    -13.79679079
  H     13.92354898     14.78657632     -9.95206908
  H     15.69328203      8.87319861    -12.57781989
  O      8.99408185     11.57630915     -9.75757454
  H      9.88804924      8.32259539    -11.07167638
  H     14.41979108      9.64234478    -12.15931190
  O     14.14949575     11.09960492    -14.63757498
  H     10.80193329      7.93772679     -9.85500967
  H     11.49578268      4.95842048    -11.87439238
  O     15.32145766      9.75858223    -12.49819686
  H     15.07744520      6.96946519    -13.28555992
  H     11.45214055      6.46807012    -11.53774936
  O     12.00396380      5.76388122    -11.92103015
  H     16.55420385      6.50968627    -13.19527110
  H     13.06399986     11.72987077     -8.42617442
  O     12.60944664     12.54339283     -8.15522524
  H     10.08122152     12.95972678    -10.05858128
  H     13.23317345     13.25685242     -8.34998416
          69
 Energy    -249.20555063647095     
  O     12.47405325      8.40817797     -9.92790478
  H     12.95344784      9.20644752     -9.65125097
  H     19.84356910      6.35724013    -14.85041145
  O     14.64591150      4.35368741    -13.66976811
  H     11.68964811      8.35725991     -9.38712501
  H     16.42446344     10.12088131    -15.10256263
  O     14.70659676     11.87072119    -11.52204152
  H     14.41626132      3.42780461    -13.68252594
  H     15.16435323     10.88255638    -14.56389248
  O     17.32822014     11.93007929    -12.70791756
  H     15.40934588      4.46097500    -14.26647538
  H     16.15216326      8.17826325    -13.63519055
  O     11.88884402      8.27715865    -16.65920452
  H     15.62121110     11.96344725    -11.81092284
  H     15.90604499      7.22794593    -12.41509215
  O     13.12453074      6.53416565    -14.74612466
  H     14.20165363     11.62756252    -12.30977608
  H     13.92867377      7.08492797     -9.65471358
  O     13.48043451     10.84208838    -13.82171846
  H     17.86944804     12.69647621    -12.88068852
  H     15.37143641      7.36945804     -9.22109030
  O     14.45545476     10.90606047    -17.38384367
  H     16.94892950     11.66098529    -13.56111588
  H     15.61633071      5.09820893    -12.19857878
  O     16.69326312      4.87677857    -15.36541766
  H     12.16302229      7.60076856    -16.02787341
  H     15.65792136      5.88155937    -10.83891100
  O     16.98635493      8.42584774    -15.23855261
  H     12.51751922      8.23662550    -17.39106355
  H     17.72601389     10.32313741    -11.70066520
  O     15.17859693      6.87967790    -16.61569018
  H     13.50933866      5.73861456    -14.35803879
  H     16.90082369      9.03140410    -11.77068237
  O     18.93639181      6.52405975    -14.61008723
  H     13.00839618      7.16168866    -14.01782474
  H     17.92658214      6.30867726    -11.70353993
  O     16.03602733     10.99914223    -14.97141680
  H     12.86738495     10.98812772    -14.55182167
  H     18.52321873      7.73666869    -11.63451231
  O     15.71942260      8.10724982    -12.77535509
  H     13.24713701      9.98840481    -13.42898853
  H     15.52764887      9.58365274     -8.95138874
  O     14.78518092      6.66388287     -9.53606226
  H     13.58682424     11.07729132    -16.99752554
  H     16.84116116      9.16212914     -9.63232512
  O     16.17211534      5.63903708    -11.62707802
  H     15.09619197     11.05372386    -16.67841731
  H     14.05364901      8.57419617    -19.51439164
  O     17.64879009      9.44535596    -11.31225619
  H     17.50135877      5.32749187    -15.09364239
  H     14.24830123      9.37581889    -18.20361130
  O     18.69992667      6.83915318    -11.94263187
  H     16.24074651      5.48081346    -15.97062108
  H     14.21269165     11.11906924    -10.05954806
  O     16.24374032      8.94008755     -8.90599349
  H     16.37522132      7.92036272    -15.79434600
  H     13.81485111     11.34837343     -8.58325383
  O     14.02992506      8.49772613    -18.56469704
  H     17.75939393      7.86790071    -15.08530282
  H     11.80496399      9.98140858    -16.27096972
  O     13.93301665     10.66885132     -9.24192794
  H     14.44759741      6.79405549    -15.98624928
  H     11.05303130     11.33250317    -16.35328647
  O     11.88734590     10.93928008    -16.11292669
  H     14.84033996      7.35415296    -17.38455784
  H     12.73633501      8.34426372    -11.75969497
  O     13.04880311      8.37603242    -12.67084376
  H     18.91550352      6.61832682    -13.64053415
  H     14.01837587      8.29711826    -12.64134510
          69
 Energy    -249.20513598948315     
  O     14.11954419      3.34137966    -13.90153881
  H     14.53312056      4.21650172    -14.00675777
  H     18.98616056     10.83651410    -12.52637173
  O     16.34518441      7.82890232    -10.45162779
  H     14.34259213      2.83702209    -14.67949190
  H     16.84468918     10.13567442    -15.86482556
  O     15.89039387     11.81150287    -12.69060863
  H     16.90995763      8.44742715     -9.97400295
  H     18.21970174      9.46730709    -16.04125756
  O     18.65740723      7.59960281    -16.11134219
  H     16.13068891      8.25935089    -11.29469712
  H     16.08833622      9.96192932    -12.77149551
  O     15.72167671      3.52392979    -11.42188150
  H     15.16017543     11.89564972    -13.31741441
  H     16.98085481      8.72109972    -13.13190402
  O     12.54112915      9.82943693    -12.67271484
  H     16.71528041     12.03955875    -13.13826390
  H     12.61806910      3.93051722    -13.05011655
  O     13.68850710      7.37502085     -9.96655198
  H     19.18569087      7.15027419    -16.76487190
  H     11.10850796      3.91945923    -12.72135013
  O     15.10841075      9.53794173    -15.49282784
  H     17.73234008      7.33050369    -16.25966399
  H     16.25157435     10.86190023     -9.72159328
  O     12.97593581     10.09939601     -9.85939152
  H     15.01696984      3.84462092    -10.83832095
  H     15.57159624     11.57327615    -10.90786710
  O     18.60112081      7.81251675    -13.31142369
  H     15.26742901      3.21081780    -12.20956836
  H     13.50484710      5.49440341     -9.89310230
  O     17.22905998      5.73015259    -12.03986251
  H     12.62220011      9.96903971    -11.72138012
  H     12.84169677      4.46142796    -10.81692932
  O     19.15770650     10.14753868    -11.87457544
  H     12.64697527      8.87980040    -12.81237058
  H     18.93421480     12.75684173    -14.24085049
  O     17.79369703     10.31839796    -15.88833545
  H     14.65199139      7.46904684    -10.01155713
  H     18.23566991     11.43942191    -14.65760079
  O     16.07795512      9.00870344    -12.93377177
  H     13.34248773      8.26170230     -9.80838670
  H     18.54440893     10.04936598     -8.77536927
  O     11.91861669      4.39887379    -12.56640298
  H     14.51207567     10.27601361    -15.32655420
  H     18.39603995     10.05540598    -10.31530986
  O     15.41703065     11.24910283    -10.00944390
  H     15.36377166      9.21410113    -14.61478273
  H     13.17317407     11.00025967    -13.75488731
  O     13.48392310      4.55180791    -10.10397860
  H     12.44545153     10.59345934     -9.24014545
  H     12.93226233     12.24007088    -14.65197695
  O     18.40077068     12.04028094    -13.90821225
  H     13.85587786     10.51790835     -9.87045445
  H     14.47020310      6.38526030    -13.55931937
  O     17.90961457      9.94335355     -9.47846836
  H     18.71722417      7.67090488    -14.25920080
  H     15.91263749      5.84860427    -13.32679061
  O     13.60763654     11.63835421    -14.35255046
  H     18.28807389      6.98463769    -12.92089387
  H     13.25428584      7.13580613    -11.72455363
  O     15.17951448      5.86121321    -13.95691720
  H     16.84141479      4.88184889    -11.77642900
  H     12.46927171      6.21984600    -12.68823991
  O     12.99599400      7.02756305    -12.65220464
  H     16.97909307      6.37029645    -11.35804230
  H     15.58672514      7.88865504    -16.27206859
  O     16.02541570      7.03007212    -16.34122920
  H     19.12705137      9.30784494    -12.35415354
  H     15.72304372      6.53095920    -15.56964605
          69
 Energy    -249.20506273470866     
  O     12.36575599     10.95152489    -15.19769019
  H     13.08154989     11.59478978    -15.17312228
  H     19.71329139      7.32645004    -14.32604103
  O     16.13528657      6.55577703    -12.76010519
  H     12.58161954     10.33668352    -15.91496660
  H     15.64498744      9.64422032    -15.61416510
  O     17.76783094     10.47070191    -11.57156207
  H     15.39167328      6.71535700    -12.16459523
  H     16.81164287     10.19226859    -16.47706608
  O     18.61344049     10.03463360    -16.40313389
  H     16.93122916      6.87373864    -12.31218339
  H     15.66999514      8.04653363    -13.76006270
  O     13.44148222      6.49723344    -16.11387720
  H     16.95169249     10.79557563    -11.97636760
  H     14.23677416      8.50565097    -14.08264401
  O     14.59494322      9.86367697     -8.65344377
  H     17.66587094     10.58494506    -10.61808519
  H     10.33243754     10.08811052    -12.97736314
  O     13.92280109      7.29012364    -11.18706887
  H     18.91150249     10.19032280    -15.48895906
  H     11.61554512     10.31646191    -13.81718398
  O     15.36995367     11.16515934    -12.79067010
  H     19.30675383     10.35300690    -16.97531573
  H     17.84520668      7.52959784     -9.77421809
  O     14.85789230      6.99211836     -8.56862102
  H     12.91552080      5.76405305    -16.42594314
  H     17.50851736      8.62045693     -8.74652943
  O     18.70604167      7.21649253    -15.71146566
  H     13.07768645      6.75018147    -15.24954469
  H     12.03704905      8.23343132    -13.49079731
  O     16.25016676      5.95658226    -15.48909903
  H     14.56369298      8.91048454     -8.50671089
  H     12.99485718      7.22524625    -12.80711689
  O     20.25849226      7.51506127    -13.53914713
  H     14.07453655     10.02774672     -9.45130182
  H     19.87576168      9.38760604    -13.67928137
  O     15.85514483     10.23487813    -16.35429487
  H     13.79359828      8.24965448    -11.18191698
  H     18.96270006     10.46093641    -13.05042257
  O     15.15807367      8.78891865    -14.10520834
  H     14.16299089      7.04984416    -10.28354072
  H     18.11827633      8.66922631    -11.59233413
  O     11.25787068      9.86654365    -13.02820906
  H     15.20233639     11.81514819    -13.48227367
  H     19.06156846      7.56925104    -12.15531462
  O     17.45984388      7.66877811     -8.89836289
  H     15.32723102     10.29953851    -13.23038349
  H     17.45356735     11.14247720     -8.10723965
  O     12.63895146      7.49822479    -13.66411323
  H     14.75764929      6.37197621     -7.85180815
  H     16.26608299     10.37393419     -8.73387387
  O     19.48110028     10.25485935    -13.83789064
  H     15.81368700      7.15361648     -8.66979055
  H     14.05839525     10.55836712    -11.67631679
  O     18.32455663      7.72402665    -11.55101720
  H     17.85374943      6.75755556    -15.73427976
  H     12.58595613     10.07049674    -11.71354517
  O     17.22397697     10.53566202     -8.80595031
  H     18.57309469      8.09008791    -16.09343459
  H     14.98311883     13.29889957    -15.69560807
  O     13.39112206     10.06190595    -11.18176601
  H     15.35355186      6.13966702    -15.78837853
  H     15.21234344     11.76876452    -15.69761195
  O     14.79624865     12.50046096    -15.20909291
  H     16.21019056      5.95691765    -14.52202640
  H     14.23335830      9.52385858    -17.09876926
  O     13.32467022      9.19612309    -17.11361461
  H     21.07739139      7.04087632    -13.64959116
  H     13.37702673      8.25652893    -16.90200690
          69
 Energy    -249.20491983465908     
  O     12.28427241     12.59063497    -13.87113579
  H     11.98057536     11.70302735    -13.60605465
  H     20.87729707      8.91452081    -13.31558108
  O     19.94841874      8.35402355    -10.28341650
  H     11.52428508     13.05223616    -14.21510691
  H     13.71234145      8.62722913    -15.23833419
  O     17.04288309     11.15146360    -10.87880262
  H     19.94501692      7.55456496    -10.82580174
  H     14.33323841     10.01600663    -15.51780826
  O     12.73389923      7.67585949    -13.95688508
  H     19.05096557      8.44384122     -9.94347715
  H     15.70625570      9.39243480    -13.18215164
  O     17.02997853      6.83535213    -12.05377832
  H     16.41527281     10.81284752    -11.53822949
  H     15.12800956     10.80785033    -13.40583781
  O     14.22037296      6.89406978    -11.79679320
  H     16.76726594     12.05649105    -10.68954054
  H     15.40356367      8.30262099     -9.31325853
  O     19.77082267      6.25738706    -12.22148625
  H     13.26571007      7.40097752    -13.18957584
  H     14.34442749      7.75996961     -8.32905585
  O     14.80918649     11.91417270    -14.83795709
  H     12.21055793      6.91777252    -14.20626153
  H     20.74414509      9.58970519    -11.25286775
  O     18.57122787      9.87072056    -15.13050603
  H     16.87719488      7.25343773    -12.91603469
  H     22.00655325     10.43966238    -11.53119032
  O     17.10022836      8.57760256     -9.85781150
  H     17.92879642      6.48650701    -12.08100010
  H     17.61278078     12.83846957    -13.49780391
  O     16.57181999     10.81473629    -16.82869241
  H     14.13253364      7.25781361    -10.90905249
  H     16.53864489     13.59685370    -12.69961378
  O     20.51555386      8.24388593    -13.90829801
  H     15.16029315      6.69262368    -11.89492617
  H     15.07950223     13.54215411    -10.97965697
  O     14.33679250      9.09690473    -15.80890649
  H     20.29335250      5.47510278    -12.37478679
  H     16.04932978     14.55867575    -10.32836942
  O     15.31036029     10.14533108    -12.72750859
  H     20.03583813      6.90978535    -12.89549059
  H     13.37256164     12.05916337    -10.93764819
  O     14.45071917      8.15670724     -9.18979462
  H     13.93719802     12.25720699    -14.60364985
  H     13.04654268     12.98267508    -12.12768448
  O     21.16332901     10.18732850    -11.89768171
  H     15.47987649     12.50322296    -14.45119438
  H     18.31279063     11.38431466    -12.17694463
  O     16.77251765     13.30482255    -13.58966716
  H     18.01888185     10.27066221    -15.81595457
  H     19.77542741     11.21464672    -12.61774394
  O     16.01958425     13.77459459    -10.86926586
  H     18.66758408     10.51428634    -14.41401421
  H     12.05090213     10.11637998    -12.10278811
  O     13.48137935     12.96191807    -11.26805581
  H     17.13048253      9.50279704    -10.14414968
  H     11.91102355      9.28137734    -13.38171723
  O     18.91736214     11.54109732    -12.91623104
  H     17.07937114      8.01631419    -10.64842910
  H     13.60212572      9.57970536    -10.09089078
  O     11.64811479     10.11889430    -12.98249926
  H     15.99153698     10.07049149    -17.01276138
  H     14.00796371     10.11323158    -11.48021630
  O     13.34894013     10.20972490    -10.77373233
  H     16.04010597     11.38931912    -16.26257502
  H     17.28404615      8.72978231    -14.62579806
  O     16.52550952      8.20147480    -14.33851712
  H     19.90501098      8.71514456    -14.49009478
  H     15.80486680      8.37126759    -14.95864094
          69
 Energy    -249.20487101423964     
  O     13.59324887     11.15738443     -8.37331509
  H     13.57336350     10.88244668     -7.46023918
  H     15.07892615     13.49372102    -16.21474447
  O     11.16012712     11.28293539    -15.05885181
  H     13.82005311     10.36758008     -8.89786461
  H     13.33862542     13.18904340    -12.02002887
  O     14.06978817      9.01778130     -9.96279196
  H     11.53784331     11.59041812    -15.89140745
  H     13.27247987     14.46760886    -11.15785123
  O     18.19772900     13.15036759    -13.23891082
  H     11.03289659     12.06582915    -14.50112799
  H     12.02942932     14.05730384    -16.24977375
  O     11.50035125     11.73434816    -10.17404004
  H     14.86403201      8.89222022    -10.49564648
  H     11.44030104     14.44458682    -14.87737858
  O     11.81648055      9.36967502    -11.63639258
  H     13.31366331      8.93254852    -10.55745462
  H     15.26209783     11.97632175    -12.43349577
  O     13.29959847      9.89585611    -13.92122111
  H     19.13284864     13.23599351    -13.40340609
  H     14.10906169     11.38451200    -13.29525151
  O     14.74756095     15.41196117    -10.50049936
  H     17.83067987     12.62488697    -13.97390199
  H     16.78490754     10.76632556    -14.89546161
  O      9.63489093      9.60160938    -13.44324344
  H     12.09138841     11.55713098     -9.43212032
  H     16.50819376     11.92870489    -15.87294027
  O     14.63314312     14.30538071    -14.73625013
  H     11.87700466     12.50389152    -10.62519186
  H     12.26456790     12.29675232    -18.22426742
  O     10.70459943     13.50444811    -13.44282807
  H     11.70226522     10.19471687    -11.14063738
  H     13.42585393     12.49091579    -17.22825912
  O     15.20344357     12.93561964    -17.00382634
  H     11.01821745      9.26257190    -12.16709158
  H     17.26560116      8.47791050    -11.09932605
  O     12.72429015     13.79176150    -11.57130767
  H     12.88315973      9.61215323    -13.09531319
  H     16.64824401      9.86210351    -11.41257124
  O     12.04791564     14.73980225    -15.57006052
  H     12.60383568     10.32944124    -14.43113871
  H     16.22412518      9.00964128    -13.36089339
  O     14.46685256     12.20314762    -12.93017253
  H     14.80612540     16.29009205    -10.13415064
  H     15.04783218      9.36721375    -14.27652477
  O     17.11880288     11.62588315    -15.19572160
  H     15.34192921     15.39066690    -11.27228889
  H     16.45366092     12.09234369    -10.63914686
  O     12.46298693     12.39544917    -17.29566072
  H     10.10462278     10.13166460    -14.10785782
  H     17.36503231     12.15250725    -11.92654498
  O     16.49033316      8.90191466    -11.45941690
  H      9.03274049      9.03548024    -13.91978643
  H      9.79467369     11.84924501    -11.08561768
  O     16.00968763      9.27146347    -14.26388564
  H     14.58412465     13.55812503    -14.12025486
  H      9.13884988     11.09639887    -12.25962691
  O     16.76722297     11.59686292    -11.41245364
  H     13.72966970     14.58227719    -14.94856294
  H     15.73849525     15.11556158    -13.48214001
  O      9.13805200     11.93829082    -11.78941814
  H     11.40406521     13.73305269    -12.81407394
  H     17.03548313     14.61644303    -12.83494435
  O     16.31379350     15.24490033    -12.71550126
  H     10.00614589     13.08728428    -12.91908338
  H     14.88808645     12.42774253     -8.98789961
  O     15.62077795     12.93385315     -9.35991409
  H     15.72709613     13.44530094    -17.61832555
  H     15.27349390     13.79272798     -9.62880278
          69
 Energy    -249.20460335043703     
  O     14.76102058      4.41134595    -10.01493629
  H     15.58214887      4.41763541    -10.52743096
  H     11.71607607      9.56579013    -14.19443224
  O     14.33260869      8.11274408    -16.99622331
  H     14.04432578      4.38004151    -10.65905997
  H     13.10351613      8.08313944    -14.33330963
  O     17.48816797      9.32896515    -14.43214466
  H     13.97062610      8.00061557    -17.87140022
  H     11.90281036      7.23546667    -14.83626412
  O     14.34880690     11.56456292    -11.48929588
  H     13.58662507      8.05698119    -16.37440009
  H     15.71272008     10.39605260    -11.72602891
  O     11.11261396      5.73474391    -14.21161203
  H     18.43383290      9.17113909    -14.32749737
  H     15.54254914      9.04305518    -12.44000201
  O     19.55094127      4.66782849    -12.67087167
  H     17.13169391      9.51213214    -13.55032071
  H     14.69197576      7.08887864    -13.25042899
  O     12.86637478      5.01489823    -12.14039076
  H     14.16494583     11.82099876    -12.40320631
  H     13.81624436      7.83015102    -12.20190990
  O     17.15381551      7.55085619    -10.45933337
  H     13.55870143     11.10414397    -11.18462485
  H     20.03415642      8.16244265    -13.06715054
  O     11.89447399     10.05381107    -10.93990826
  H     11.63865545      5.38126300    -13.47850879
  H     20.97382210      8.95065386    -14.01210592
  O     19.12841480      6.02713020    -14.97957056
  H     10.33224156      5.18850531    -14.26160878
  H     15.89951696      5.20849370    -12.96553062
  O     13.74350205     12.07003617    -14.24120600
  H     19.40034538      5.07657269    -13.54252672
  H     15.69327718      5.81055023    -14.38850472
  O     11.60159444     10.33079600    -13.61755728
  H     20.17443986      3.95887244    -12.80076364
  H     16.16827998     10.21759754    -15.39091157
  O     12.43380912      8.02035368    -15.03270657
  H     13.64494532      5.09019630    -12.71332924
  H     15.00026257      9.78410171    -16.29671229
  O     16.20389485      9.61790840    -12.02124270
  H     12.79435176      5.83817660    -11.63514772
  H     16.82825716      7.76833477    -15.13911823
  O     14.31383180      7.94966475    -13.02335044
  H     16.47480015      7.39842236     -9.79177972
  H     15.80884147      7.24617289    -16.17290227
  O     20.12399480      8.52120428    -13.96850238
  H     16.87259840      8.32780020    -10.96504841
  H     19.79208379      6.37858498    -11.79570980
  O     15.23096666      5.42577575    -13.63141790
  H     11.17339474     10.49786657    -10.50099935
  H     18.96004729      7.45135965    -11.05700572
  O     15.34719519     10.52955880    -15.79424308
  H     11.72545384     10.12913848    -11.89703792
  H     12.51036643      8.35030467    -10.66199210
  O     16.50509693      6.96198650    -15.56877124
  H     18.24741973      6.22487264    -15.32077991
  H     13.55435033      7.39621418     -9.98182153
  O     19.77195761      7.31496432    -11.56151388
  H     19.53826087      6.88036570    -14.78732821
  H     17.09235790      5.89174898    -11.22034978
  O     12.92179109      7.47613827    -10.70719812
  H     13.71607991     12.93579259    -14.64036860
  H     17.88695101      4.74434174    -11.90607165
  O     17.01528240      4.99429364    -11.57649273
  H     14.32637099     11.52672342    -14.80022128
  H     14.85588966      5.92721822     -9.14924515
  O     14.92516887      6.84006703     -8.81391559
  H     12.27137517     10.97174950    -13.89115655
  H     14.88863113      6.78847161     -7.86234233
          69
 Energy    -249.20399373009894     
  O     -3.64107263     -0.20597592      3.49723636
  H     -3.21662048      0.59613651      3.82424444
  H     -3.60941940      1.77326682     -1.64572104
  O     -1.21469806      3.84244910      2.27269139
  H     -2.93306583     -0.74286461      3.11360770
  H     -6.26482467      3.93280596     -0.17051223
  O     -1.45928088     -1.38316276      2.28911536
  H     -1.94049170      4.02801202      1.65028125
  H     -6.49045858      5.40172199      0.26424323
  O     -4.44130068     -1.12389090     -2.55940863
  H     -0.78646514      4.67666469      2.44661505
  H     -0.10915219      2.40269623      1.65621051
  O     -2.01765705     -2.30272156     -1.57077184
  H     -1.37242377     -0.88795074      1.46017272
  H     -0.02462237      1.07580140      0.85868428
  O     -4.73421678      0.81831057      1.16996532
  H     -0.83233161     -0.99063198      2.90793447
  H     -4.68776090      3.39669626      5.63110908
  O     -6.23843211      2.75526254      2.56122219
  H     -5.02952565     -1.26568938     -1.80295214
  H     -3.66063249      2.84350539      4.63510318
  O     -8.06941366      0.54502195     -0.06826499
  H     -3.59757965     -1.51973621     -2.31463013
  H     -4.11917300      4.47789785      0.53217209
  O     -4.78178954      1.49891840     -3.04676444
  H     -2.36000731     -2.72735411     -0.76314410
  H     -3.11012867      3.47149622     -0.05656044
  O     -5.94230773     -1.27717375     -0.23612684
  H     -1.52427162     -2.96962549     -2.04116717
  H     -6.80874636     -0.75322410      3.28098935
  O     -5.58886087     -3.34054482      1.65724524
  H     -5.30288720      1.51470113      1.52050889
  H     -5.32310893     -0.99276719      3.65372224
  O     -3.13005473      1.81940355     -0.80970275
  H     -4.31224343      0.41186801      1.93776377
  H     -1.31788300      1.44033800      4.31226010
  O     -6.01779599      4.60627573      0.49212215
  H     -5.65714099      2.96716699      3.30555115
  H     -1.81632038      2.68089354      3.54538751
  O      0.40364371      1.59096178      1.55559808
  H     -6.21017325      3.48765424      1.93262376
  H      0.35821109      0.76179855      3.07796602
  O     -4.55041548      3.22036615      4.70305788
  H     -8.17327776      0.56030754      0.88971626
  H      1.00204198      0.15386049      4.35010942
  O     -3.18219997      4.25638247      0.50570361
  H     -7.47419179     -0.19643559     -0.24423487
  H     -8.75623621      0.92129149      3.35347989
  O     -6.16488080     -1.44019190      3.49102064
  H     -4.75262160      1.68602771     -3.98079313
  H     -7.42786005      1.46701641      2.78310000
  O     -2.07111907      2.03679608      4.22253962
  H     -4.68447226      0.53371899     -2.95024512
  H     -2.36974859     -2.80105257      1.44345937
  O      0.16692435      0.29350570      3.91239358
  H     -5.52870892     -0.54869939      0.25163264
  H     -3.77653955     -3.36468635      1.11596271
  O     -7.99674994      0.67959715      2.82866582
  H     -5.88712264     -2.05484592      0.33083320
  H     -1.81620945      0.66521603     -0.41666071
  O     -2.86862482     -3.31403255      0.79417075
  H     -6.09812332     -4.13046287      1.81794871
  H     -1.34033348     -0.77338985     -0.71943253
  O     -1.17956630     -0.01297673     -0.14717860
  H     -5.82033131     -2.70937135      2.36213426
  H     -7.23088334      1.94855962     -0.86157975
  O     -6.67822898      2.66002554     -1.21694309
  H     -3.72223919      1.46644363     -0.12576029
  H     -6.10363121      2.26566448     -1.88159429
          69
 Energy    -249.20349677747072     
  O     17.20635422     10.23769894    -15.03196046
  H     17.51568018     11.14293323    -15.15445608
  H     13.86096131     10.88933067    -10.08673412
  O     18.04227837     12.91444971    -14.84560753
  H     16.95823303     10.17044693    -14.09471549
  H     18.41621575      5.13869553    -14.55722798
  O     13.59145718      8.95243546    -10.11494632
  H     18.20746261     13.65998901    -15.41674097
  H     18.18298265      5.40497870    -13.05438557
  O     15.00975070      8.62649354    -15.61278848
  H     17.42670025     13.22204649    -14.15597387
  H     15.09071288      8.02123813    -10.76565320
  O     19.02039146      8.23452878    -14.40540531
  H     13.00411594      8.63919991     -9.43097747
  H     15.29528120      7.25978570    -12.10684970
  O     20.99278785      9.66332310    -12.98330810
  H     13.11958854      8.83391411    -10.95940878
  H     17.89246296      6.17935845    -16.45690360
  O     18.39161728      7.00320887    -11.98518284
  H     15.77774006      9.20852925    -15.52432539
  H     19.31466502      5.80970728    -16.94815254
  O     12.46794078      8.46303431    -12.55253553
  H     14.22705460      9.17416237    -15.47220483
  H     15.71557726      7.09393557    -16.47722320
  O     16.27709542     13.60704095    -12.89034169
  H     19.04209148      7.54220073    -15.07736035
  H     15.80247522      5.58988017    -16.12761107
  O     12.84402750     10.25962328    -14.79077272
  H     18.44094929      8.93702900    -14.72936303
  H     17.15346361     10.46176300    -11.85050882
  O     14.23908792     11.66415558    -12.95074386
  H     20.41973413      9.14284742    -13.56244796
  H     16.21461259      9.23848440    -12.05798100
  O     13.85523979     11.83978088    -10.25461694
  H     20.81302832      9.34231688    -12.09251062
  H     19.37457328     12.43141862    -13.52349140
  O     17.98828702      4.78452094    -13.76712903
  H     18.54426678      7.47212412    -12.82080072
  H     20.36155880     11.37884160    -12.94031218
  O     15.76159953      7.64174436    -11.34693390
  H     17.48226431      7.17608646    -11.70257909
  H     18.92247330     10.30761032    -10.48059409
  O     18.82307294      6.09284311    -16.18226278
  H     12.42550862      9.10127429    -13.27317334
  H     18.96086392     11.56746941    -11.39530845
  O     16.16765863      6.27140873    -16.70562890
  H     13.00544210      7.73587674    -12.89617366
  H     14.68232588      5.89576542    -13.90681441
  O     16.47118857     10.09259197    -12.42599874
  H     16.43267125     13.53622270    -11.94198348
  H     14.68235047      7.40330164    -14.29151166
  O     19.86818397     12.18756215    -12.73364368
  H     15.47102718     13.09746025    -13.04565684
  H     20.40688292      8.24455612     -9.75518731
  O     18.43181160     11.09977338    -10.72618144
  H     12.19763118     10.79239343    -15.24651684
  H     19.40679142      8.02060305    -10.91048996
  O     14.44435462      6.77640046    -13.59319225
  H     13.31407940     10.85070528    -14.17545505
  H     17.22673346     12.28362440    -10.18253491
  O     19.91198519      8.69899011    -10.43235852
  H     15.02085264     11.10707494    -12.81695070
  H     16.83507220     13.54815905     -9.38920610
  O     16.52280414     12.94157787    -10.05670539
  H     13.90050068     11.83315603    -12.05922641
  H     16.34923930      4.46842719    -14.27183609
  O     15.44769209      4.40342534    -14.63591188
  H     14.74615237     12.16636492    -10.07321178
  H     15.21924114      3.47833285    -14.64932176
          69
 Energy    -249.20301988047959     
  O     -1.50835393      4.67412441      2.42607678
  H     -1.02186015      4.13418338      3.06283429
  H      0.09535518      1.37940384      1.01561480
  O     -2.91667442      5.68535089     -0.99322216
  H     -2.08748109      4.08548279      1.91886963
  H     -0.10053387      3.87393019     -2.38752696
  O      4.51600975      6.70444725      0.75119133
  H     -2.02238298      5.66104280     -1.36785478
  H     -0.22257224      2.43466067     -1.79859363
  O      2.00258390      7.08371973      1.95574513
  H     -2.87251465      6.28561331     -0.23923997
  H      0.75345804      8.13620156     -1.21309289
  O     -0.31147696      5.53504673     -1.80353761
  H      4.15094304      6.48737634     -0.12499696
  H      1.11588981      8.70052864     -2.60927249
  O      2.62341614      3.02841365      0.33136148
  H      5.29653240      7.23099946      0.60187216
  H     -2.93839624     -0.73959826     -2.52849746
  O      0.67180860      4.98767119      0.67387106
  H      1.99892665      6.51470859      2.74219602
  H     -2.71437566      0.77017940     -2.79330234
  O     -2.30548833      7.10334121      1.38303496
  H      2.90047463      7.06916654      1.60046546
  H      1.49331977      4.43124450      3.94875383
  O     -1.08982629      1.53437990     -0.43594354
  H      0.05545929      5.34260137     -0.92420966
  H      2.91278324      4.77472971      3.44092218
  O     -2.99080427      3.33074310      0.55421658
  H      0.10827928      6.35165037     -2.09835999
  H     -3.86936063      4.74170593     -2.21731181
  O      0.12550838      8.36913438      0.38688086
  H      2.83312680      3.04812369     -0.60783411
  H     -4.90832235      4.60057383     -3.34860269
  O      0.74068598      1.51287886      1.72094167
  H      1.94243093      3.70675011      0.46316869
  H     -2.98118829      2.88065664     -3.56393211
  O      0.08266203      2.93872932     -2.56687533
  H     -0.04925508      4.79178381      1.28389403
  H     -1.48772610      2.47025589     -3.54079707
  O      1.09403774      7.89824175     -2.09547025
  H      1.17276183      5.71846096      1.06195297
  H      0.10127616      2.46107603      4.67555620
  O     -2.88432826      0.10899112     -2.09792485
  H     -2.81902592      7.60939998      2.00878134
  H      0.37338145      2.42517386      3.15316542
  O      2.12650416      5.15099559      3.86698386
  H     -2.00243886      6.30918067      1.85457108
  H      3.28058810      2.98215538     -3.16501700
  O     -4.27297641      4.10918007     -2.83263594
  H     -1.63086289      0.89452805     -0.91526290
  H      1.86073735      3.19690112     -2.59652619
  O     -2.37017523      2.17025886     -3.79537373
  H     -1.70682240      2.17450859     -0.05377729
  H      4.48471306      5.07616920      1.80518582
  O      0.14639028      3.01096495      3.89798308
  H     -3.71209112      2.79002197      0.20126114
  H      3.79790375      3.71815584      1.62531337
  O      2.79409781      3.44106897     -2.48440064
  H     -2.97411535      4.13688746      0.02118325
  H     -4.76843720      2.61286719     -1.65661423
  O      4.24164239      4.27278212      2.28088269
  H      0.79152901      8.05812034      1.01864690
  H     -4.27244892      1.19647338     -1.31543435
  O     -4.78870196      1.93553276     -0.96887251
  H     -0.71374489      8.00600152      0.68864650
  H      3.12569475      5.27584244     -1.96834638
  O      3.33364378      6.15288183     -1.62658640
  H      1.52064839      1.87960418      1.28264952
  H      2.59830048      6.73331990     -1.85599581
          69
 Energy    -249.20280975767673     
  O     10.69342547      4.55808450    -12.66928003
  H     11.31407899      4.03841802    -13.19336430
  H     15.25111319      6.26574597    -12.99207909
  O     13.99216143      5.54772698     -7.62330153
  H     10.69477432      5.44137796    -13.05869196
  H     14.06956474      5.21614797    -11.59047605
  O     16.25478624      8.87463888    -13.65174123
  H     14.65802097      6.05369109     -8.12134927
  H     13.44976693      6.66318269    -11.50782337
  O     17.17209860      4.11372232    -12.37709465
  H     14.24843883      5.58489962     -6.70578642
  H      9.87308682      3.85335600     -9.71560599
  O     16.04648297      9.55215390     -9.82969559
  H     15.93375589      9.32749188    -14.44185519
  H     10.65447134      4.36819842    -10.94526489
  O     10.92968843      9.32191881    -15.34817805
  H     16.15760676      7.92328518    -13.80233575
  H     15.41072513     10.54359739    -16.64695505
  O     11.73152701      6.73000282     -8.97759350
  H     17.46635871      4.83533435    -11.79168937
  H     14.46596082      9.39610642    -16.21775213
  O     13.37951377      5.85869122    -15.13239913
  H     17.92158776      3.53567775    -12.49162051
  H     12.82275024      8.65226238    -11.41488626
  O     12.95878508     10.97129144    -14.12246897
  H     15.33495842      9.80503219    -10.43329187
  H     11.99017353      7.68326987    -10.46591140
  O     17.89538889      6.20660334    -10.81296079
  H     16.83823826      9.46568417    -10.37464293
  H     17.54833821      8.97050802    -12.44522337
  O     15.64578609      6.90171268     -9.27772156
  H     10.91751669      8.54082685    -14.76867491
  H     18.91236739      9.48417223    -11.93085468
  O     15.79859331      6.16734893    -13.79057717
  H     10.02302919      9.50796778    -15.57753316
  H     13.66190789     10.34106743    -12.56876865
  O     14.27132265      6.15798445    -11.55723807
  H     12.46191291      6.42385247     -8.42785011
  H     14.87493017      9.41009718    -12.44584325
  O     10.69237863      4.26478141     -9.97812633
  H     11.28209971      5.92807227     -9.27526936
  H     12.39442340      8.62686232    -16.35073300
  O     15.08445827     10.07165149    -15.88550589
  H     13.13848689      4.94227719    -14.94928684
  H     13.27906553      7.36267341    -16.27534220
  O     12.17637703      7.93343690    -11.38314548
  H     14.26765218      5.97639192    -14.76736532
  H     13.65676342      4.09585701     -8.80972769
  O     18.17152694      8.92924594    -11.70004370
  H     12.20174179     10.50476199    -14.49682690
  H     12.43912359      3.65083291     -9.63535577
  O     14.15897944      9.80611281    -11.93240890
  H     13.68343172     10.82265567    -14.74199477
  H     12.00457709      6.71204977    -14.21918605
  O     13.23292448      8.25171314    -16.64965994
  H     17.22299689      6.35863073    -10.13547494
  H     11.51767057      7.44661965    -12.92244739
  O     13.38185158      3.48443150     -9.50343294
  H     18.12028877      7.08434776    -11.14315726
  H     13.39388430      3.24358636    -13.38210196
  O     11.23357830      7.10475278    -13.78585313
  H     15.76827261      7.86135712     -9.32426005
  H     12.76148359      2.40345777    -14.51822240
  O     12.78135442      3.27795045    -14.13834174
  H     15.17173244      6.64323775    -10.08276859
  H     14.16042979      3.24957846    -11.06141562
  O     14.43688930      3.34911848    -11.98687125
  H     16.40200662      5.44706240    -13.58116168
  H     15.38621155      3.51788128    -12.02327197
          69
 Energy    -249.20267316802449     
  O     10.17112764      5.55036395    -11.86917565
  H     10.61100681      4.79019128    -12.26711335
  H     16.23093082      5.38456184    -12.93973795
  O     14.10660989      6.57235976     -7.44108400
  H     10.42485548      6.31017239    -12.40743353
  H     14.49059008      5.98494321    -12.16362129
  O     16.45065086      8.22644102    -14.20401910
  H     14.48931841      6.71482663     -6.57887115
  H     13.67951276      5.17635260    -11.11865044
  O     16.89971629      9.06185870    -10.69519799
  H     14.82709302      6.67504359     -8.08451611
  H     10.17256172      5.75021448    -10.13546260
  O     11.32799778      9.34556406    -15.51508526
  H     15.88993119      8.74170983    -13.60340019
  H      9.31968860      5.74480015     -8.84780458
  O     11.92374696      8.07906833     -8.63185381
  H     16.20007266      8.46261940    -15.10577325
  H     14.60868788      8.33889130    -16.73265712
  O     12.97421608      5.53945891    -14.57174001
  H     17.58609995      8.70881244    -11.27197672
  H     15.68187751      9.07159611    -17.57330832
  O     16.12056277      2.90768967    -10.88641172
  H     16.23195871      9.45281410    -11.27528734
  H     12.41415691      8.54616501    -10.31509142
  O     13.83024487     10.63667450    -14.93572496
  H     10.45516870      9.68055692    -15.70227091
  H     13.16756293      7.59742544    -11.26214808
  O     17.40246285      5.34809718    -11.40401048
  H     11.24532363      8.76387894    -14.73946297
  H     17.92315594      7.86957173    -13.26169184
  O     15.89987534      6.80735647     -9.50772574
  H     12.65400529      7.66400613     -8.15776036
  H     19.43625558      7.92934216    -12.94963896
  O     15.57764119      5.68243121    -13.58437101
  H     11.27401322      7.37781336     -8.77187009
  H     14.10461588      9.38490699    -12.03121283
  O     13.98901139      6.06212079    -11.34193977
  H     13.90918387      5.48969280    -14.32909812
  H     14.47861939     10.19695526    -13.30329972
  O     10.21183441      5.84950302     -9.16824998
  H     12.54326430      4.78051314    -14.15892537
  H     13.03421237      6.69590235    -16.06735535
  O     15.39503236      8.91197406    -16.67854220
  H     16.71332711      2.24395533    -10.54085615
  H     12.43610122      8.07765287    -16.41158375
  O     12.75650157      8.47550057    -11.21612723
  H     16.67034676      3.68393852    -11.06833644
  H     13.10915702      5.06141862     -8.06390902
  O     18.59847791      7.63200095    -12.60358826
  H     12.93865084     10.31535955    -15.11910670
  H     11.71028887      4.83650279     -8.66689934
  O     14.85046502      9.73559911    -12.53712370
  H     14.39411864     10.21612658    -15.59530181
  H     11.98546407      6.91983706    -13.78204270
  O     13.12085745      7.44669379    -16.66855529
  H     17.97168430      6.02103980    -11.79735682
  H     11.81392684      7.99728525    -12.65770349
  O     12.55590020      4.40062024     -8.49718631
  H     16.97065036      5.78091647    -10.65290199
  H     12.34790513      3.36127872    -12.27350408
  O     11.38890013      7.59621407    -13.43080102
  H     15.18702289      6.56698309    -10.11962387
  H     11.47031921      2.60731925    -13.30040432
  O     11.76972539      3.47705485    -13.04810455
  H     16.24414883      7.66577489     -9.79921414
  H     13.09725541      3.60171695     -9.96598439
  O     13.38339548      3.37734140    -10.86580111
  H     15.87346827      6.55270952    -13.88933768
  H     14.31888168      3.13239748    -10.84535730
          69
 Energy    -249.20145077904823     
  O     12.12146396      9.68141276    -12.91440499
  H     12.38124831     10.46767361    -13.41103475
  H     15.73050927      5.85704352    -18.18671382
  O     14.52806943      6.69271014    -14.99200353
  H     12.06337781      8.96211442    -13.56263492
  H     17.37656584      7.26255260    -16.71095552
  O     16.21597802     11.36483295    -10.37955648
  H     14.95436494      7.47302689    -14.60642128
  H     18.12708597      7.56382447    -15.39343132
  O     17.24734491     10.35342416    -17.04357062
  H     14.96349158      6.50710057    -15.83162025
  H     12.99038782     12.61403034    -14.72149332
  O     11.95356656      7.62769675    -14.76334880
  H     15.81849031     11.93787631     -9.72924985
  H     14.16865348     11.61878473    -14.63612360
  O     16.59594241      6.61193766     -9.82198377
  H     15.51643136     10.76705650    -10.69544090
  H     15.32665673      8.99992881    -12.81587595
  O     14.29699181      5.41940726    -12.54605373
  H     17.59028327      9.48430985    -16.76765055
  H     15.79269805      9.63573186    -14.14670250
  O     14.40431918      9.56352949    -11.33685853
  H     17.89848068     10.73203310    -17.62845602
  H     11.40210077      8.64388734    -11.56000741
  O     14.93606575      8.92172623    -18.02540401
  H     11.56280929      6.94552907    -14.20060155
  H     10.38824805      8.26039057    -10.46119115
  O     17.07887953      5.08209619    -11.96856623
  H     12.84541445      7.30550508    -14.96294296
  H     20.34479283      9.23617946    -12.52587740
  O     15.90393675     11.33253587    -14.81956072
  H     15.65040546      6.78758853     -9.75880391
  H     18.98900791      8.55316863    -12.81287614
  O     15.82663935      6.45827734    -17.45387022
  H     17.04926329      7.46814914     -9.80419715
  H     11.22299003      6.37473979    -12.06280925
  O     18.02403999      7.85518477    -16.30748564
  H     14.33649554      5.79548206    -13.43772297
  H     12.29959816      5.44182998    -12.64825644
  O     13.20373788     11.70072500    -14.54584440
  H     15.20005071      5.14309406    -12.34867700
  H     18.33562444     10.88276727    -12.70882930
  O     15.70618854      8.79601500    -13.67916180
  H     14.30515658      8.71130183    -10.88961706
  H     17.23296479     11.64034481    -11.94639356
  O     11.17885544      7.96312619    -10.90537242
  H     13.60539091      9.69190099    -11.86556935
  H     17.74999263      6.45844810    -13.06115635
  O     19.40438340      9.32346296    -12.39117763
  H     14.12865106      9.21373688    -17.57670123
  H     17.17468992      7.81105568    -13.55401143
  O     11.39845808      5.75969664    -12.78482813
  H     15.63488129      9.53758096    -17.78029433
  H     17.36374765      9.87877468     -9.97914096
  O     17.69329348     11.59781629    -12.79438326
  H     16.96443224      5.60545175    -11.15253306
  H     18.48456293      9.13906195    -10.72068051
  O     17.97925651      7.26857217    -13.53153914
  H     17.51981175      4.27471594    -11.71821623
  H     12.27173980      8.98133529    -16.08027593
  O     17.87334119      9.06058870     -9.97860376
  H     16.37265306     11.10147200    -15.63221977
  H     12.80752020     10.41858708    -15.96233715
  O     12.69871180      9.68818201    -16.58070079
  H     16.56405827     11.53324174    -14.13631330
  H     13.96562916      6.48092269    -11.10327641
  O     13.82415076      7.06758767    -10.34391825
  H     15.46255354      7.31783719    -17.74016773
  H     12.88496311      7.28723616    -10.33867579
          69
 Energy    -249.20138156788579     
  O     10.22395804      5.71804873    -12.64506156
  H     10.70451309      5.05434834    -13.15256144
  H     16.16062217      6.90553604    -13.67850138
  O     13.39143779      5.59077998     -7.95090648
  H     10.54068690      6.56955467    -12.96996615
  H     13.60706837      5.13760605    -11.50593205
  O     16.73673664      8.58502101    -13.65999200
  H     12.82663862      6.36275120     -8.07945118
  H     14.57216071      6.09662605    -12.24783031
  O     16.77862376      8.92698177     -9.82829482
  H     14.27156174      5.83874701     -8.26224431
  H     10.83179270      4.75939751     -9.67845685
  O     11.87261479     10.21243474    -15.14375716
  H     16.14452632      8.99401293    -13.01342070
  H     10.24334856      5.59664436    -10.84665174
  O     11.48444013      7.65113096     -8.62254402
  H     16.60454733      9.04910558    -14.49576858
  H     16.40489835     10.23108666    -16.78954303
  O     13.35612298      6.22931192    -14.87859581
  H     17.02071514      9.62996749     -9.23015819
  H     15.22098232      9.39361407    -16.24660697
  O     15.91620092      2.69834745    -11.58361559
  H     16.17922927      9.31779029    -10.48584401
  H     12.29119602      8.31169381    -10.15753257
  O     14.31755058     11.20367640    -14.00727001
  H     11.68838315      9.47023470    -14.54203729
  H     13.14104446      7.51399759    -11.17134772
  O     17.31343578      5.08339375    -11.32765106
  H     11.03051196     10.59588781    -15.37389786
  H     18.10843452      7.93013262    -12.50203458
  O     15.70585261      6.33751810     -9.36548927
  H     10.87244267      8.05196704     -8.01158939
  H     18.10055076      8.01582728    -10.97941367
  O     15.79696327      6.01415642    -13.56522172
  H     11.00285523      6.93008628     -9.07152771
  H     14.77004613     10.40664367    -12.47041413
  O     13.96737305      6.03184608    -11.49654538
  H     12.87360574      5.40949360    -14.71435213
  H     14.20588888      9.36389923    -11.46391178
  O     10.35116603      5.56779786     -9.88447660
  H     14.25046379      6.09201325    -14.53594401
  H     13.03997812      9.11081568    -16.18930736
  O     15.98950016      9.93268803    -15.98543130
  H     16.50134124      3.46689227    -11.49796630
  H     13.59052499      7.67129319    -16.08737096
  O     12.75270071      8.38836906    -11.00056721
  H     16.48983207      1.93642168    -11.61237110
  H     12.64658361      4.17580794     -8.64463629
  O     18.50974461      7.54171182    -11.71338920
  H     14.94020646     10.94428753    -14.69735195
  H     11.94697564      2.81382366     -8.42700714
  O     15.02029899      9.78825035    -11.76757770
  H     13.44479355     10.98265384    -14.35544080
  H     12.28754903      7.43030812    -13.93631587
  O     13.73570632      8.52522382    -16.51443645
  H     17.91352099      5.81980677    -11.51553209
  H     11.98028467      8.23992723    -12.63272340
  O     12.17207939      3.45444335     -9.09639545
  H     16.81847985      5.36724102    -10.54652068
  H     12.42905258      3.62761581    -13.20459494
  O     11.65819042      8.03912235    -13.52296421
  H     15.05803961      6.26225278    -10.08395096
  H     11.73121554      3.10309216    -14.48100015
  O     11.98580448      3.90178146    -14.02565165
  H     16.07011098      7.23051268     -9.41331007
  H     14.16143380      3.04472283    -11.62533480
  O     13.23938277      3.34194054    -11.65692933
  H     16.36808837      5.56233797    -12.93227723
  H     12.85948090      3.25786771    -10.77216372
          69
 Energy    -249.20112748610936     
  O     -5.30529004      3.61679560     -1.14671514
  H     -6.06439768      4.17757045     -1.28620563
  H     -2.89692188     -0.14642837      1.39289910
  O     -0.79180212      4.10593672     -2.94420895
  H     -5.48103035      3.10981056     -0.33500014
  H     -4.87213260     -0.81333981      1.62738181
  O     -5.72275201      2.24288254      1.15834020
  H     -0.77927133      4.89810928     -3.47559616
  H     -6.35655502     -1.23284148      1.73640383
  O     -1.15689375     -2.60477674      0.99139338
  H     -1.45383043      4.25074508     -2.24362871
  H      0.49930015      2.22335486      3.14027216
  O     -0.14595922      0.77930915     -1.06996784
  H     -5.28057624      2.53615218      1.96423343
  H     -0.02178354      0.95840619      2.40817897
  O     -1.94756610      1.69704537     -4.01686654
  H     -5.81160044      1.28500486      1.22292266
  H      2.84038605      3.38202995      3.58029160
  O     -2.15684486     -2.06067062     -1.47201179
  H     -1.48350306     -2.44289376      0.08682573
  H      2.40333382      2.66043500      2.28121697
  O     -0.69189160     -0.57979764     -3.43334624
  H     -0.97818156     -3.53911968      1.05365735
  H     -4.84556022      2.37431610     -2.52360435
  O      1.13838162      3.19632765     -1.10941923
  H     -0.20790316      0.33810976     -1.92516389
  H     -4.65037910      0.85750089     -2.62436371
  O      0.58615672     -0.34591010      1.27724653
  H      0.30426703      1.62877051     -1.17310482
  H     -2.92922283      0.21703917      3.52197656
  O      2.64677964      1.65553372      0.86750451
  H     -1.54966273      2.51754250     -3.70685230
  H     -1.82399300      1.21444350      3.89047051
  O     -3.11707212     -0.86571112      2.00670374
  H     -2.88493153      1.72813427     -3.77347480
  H     -3.82122410      0.22383476     -0.84070267
  O     -5.76658177     -0.62728772      1.29506846
  H     -1.66035671     -1.65482535     -2.19268717
  H     -5.08481623     -0.59753437     -0.54445987
  O     -0.29750011      1.71581003      2.94395393
  H     -3.01585178     -1.61850694     -1.46021766
  H     -1.75534783      0.99583953     -0.34803565
  O      2.08586951      3.20246447      3.02672484
  H     -1.18093971      0.21548402     -3.71915757
  H     -2.56000722      1.98874330      0.52795597
  O     -4.56283807      1.67760323     -3.12742881
  H     -0.20205787     -0.88884218     -4.18980109
  H     -1.40824428      2.86001170      2.06304744
  O     -2.73419311      0.96454497      4.10234423
  H      0.96319556      3.77674135     -0.35266929
  H     -2.79218499      3.53726076      2.24845689
  O     -4.44373063     -0.40770857     -1.23727028
  H      0.62197042      3.55480081     -1.84285933
  H     -2.38586873      4.25459966     -0.05139920
  O     -2.58244304      1.10874566      0.14222455
  H      0.13027602     -1.19298702      1.32220591
  H     -3.54378893      4.19200294     -1.06894042
  O     -2.02765570      3.48919887      1.66080284
  H      0.34792385      0.02077616      0.40964547
  H     -4.52202850      3.59653805      4.16328533
  O     -2.61429483      4.43613499     -0.96943199
  H      2.29689108      2.10450592      0.08767719
  H     -3.73473455      2.33219224      3.73652143
  O     -4.20585357      3.11725528      3.40222025
  H      2.12168928      0.85405364      0.98618684
  H      1.09430823      4.35417076      1.85761225
  O      0.55294248      4.70574436      1.13912455
  H     -2.49939070     -1.57784849      1.80423841
  H     -0.36012455      4.50581908      1.37310333
          69
 Energy    -249.20110162251282     
  O     -3.75751060      8.97921316     -2.79512607
  H     -3.78308292      9.93313238     -2.78299145
  H     -5.63235409      2.79964887     -3.98977975
  O     -2.53347425      0.95102774     -4.95710467
  H     -3.11405675      8.71588727     -2.11381384
  H     -2.28886197     -0.04068475     -3.54052491
  O     -0.82653224      3.22438186     -4.51494976
  H     -3.37625894      1.40667420     -4.82156216
  H     -2.08518319     -1.37852291     -2.78705463
  O      1.22630403      5.13008577      0.42687916
  H     -1.86468053      1.64521744     -5.00762258
  H     -4.14624421      7.86381099     -5.77696849
  O     -6.61941687      6.17499347     -3.89352430
  H     -1.61103431      3.78923783     -4.57070001
  H     -4.00334343      7.89620925     -4.23969217
  O      1.86722009      3.36117864     -1.71376079
  H     -0.07585623      3.82219050     -4.41634671
  H     -5.72147424      7.00264627     -1.09789593
  O     -4.14434380      1.36206554     -1.63864655
  H      0.38792168      4.93417392      0.88343264
  H     -5.36307292      8.22254601     -1.96256854
  O     -0.05241161      6.41936834     -1.72167630
  H      1.84023280      5.42669407      1.09309023
  H     -4.03542042      5.50027511     -0.91871717
  O     -0.35286102      1.70496021     -2.18658484
  H     -6.59880472      6.71072645     -3.08637219
  H     -5.31141668      4.80568769     -0.37306022
  O     -2.12674581      2.76471563     -0.33755583
  H     -5.87514144      6.48762707     -4.41610183
  H     -3.46985222      7.21277090      2.15542072
  O     -1.99476035      8.26558529     -0.86991032
  H      1.20155347      2.66153774     -1.76347799
  H     -3.75927354      6.38789771      0.88091904
  O     -4.71546284      2.53161211     -4.12867812
  H      1.69758064      3.85371522     -0.90080558
  H     -1.82147037      5.37382526      1.52706035
  O     -2.14960359     -0.43602576     -2.66013381
  H     -3.56831039      0.61709911     -1.84623638
  H     -1.58898301      3.92958867      1.00626557
  O     -4.17460798      7.31407290     -4.99737985
  H     -4.33803680      1.78498731     -2.48875885
  H     -7.03170847      4.52612866     -3.61959211
  O     -6.10843833      7.70142696     -1.64440886
  H      0.42934329      6.05466549     -0.96638391
  H     -8.12117998      3.42958511     -3.68748499
  O     -4.78496987      5.61578570     -0.31641700
  H      0.37330442      6.06848901     -2.51311720
  H     -3.44661545      5.62812954     -4.73233338
  O     -3.05296657      6.82038651      1.39214341
  H     -0.82435940      0.86788780     -2.27701060
  H     -2.94731962      4.89635294     -3.46050843
  O     -1.18244197      4.65179092      1.50498538
  H     -0.54700683      2.21607061     -2.98639054
  H     -6.58208792      3.36916216     -1.64246134
  O     -7.21462459      3.58615717     -3.43799595
  H     -2.92041655      2.29494560     -0.62648538
  H     -5.54013036      2.50062416     -0.91692778
  O     -3.12154156      4.78097714     -4.40924508
  H     -1.40323201      2.40391140     -0.86934423
  H     -1.70075878      5.58528975     -1.73989096
  O     -6.11469920      3.26714166     -0.80354988
  H     -1.22408230      7.76419799     -1.16677813
  H     -2.37409970      4.25608190     -1.29286458
  O     -2.51507069      5.07053075     -1.79536002
  H     -2.30335115      7.83967095     -0.06106514
  H      1.59349508      4.39391949     -3.08144619
  O      1.28916010      4.98665881     -3.79381656
  H     -4.21291649      3.34543789     -4.27872492
  H      2.05978318      5.22538427     -4.30221779
          69
 Energy    -249.20102453617079     
  O     13.22862266      9.59496940    -16.09425013
  H     12.95786195      9.97808353    -16.92433847
  H     11.74724363      4.01856006    -11.75725628
  O     10.90006740      7.60447929    -10.89265361
  H     12.52015656      8.98214091    -15.82316965
  H     17.62382586      4.98487768    -12.87311176
  O     15.63987703      6.18452198    -10.84410198
  H     10.91223969      6.65503944    -11.06512359
  H     17.53086444      5.76372845    -14.18904572
  O     14.48424913      2.74000947    -10.11967162
  H     11.46202898      7.74309623    -10.12129273
  H     14.93347928      7.93591113    -13.58364936
  O     12.63037638      7.81561681     -8.61685218
  H     15.95532983      5.39089317    -11.29434405
  H     14.46227175      8.71375944    -12.33845656
  O     12.64780844     10.94617638    -13.58379936
  H     15.27257162      6.77624328    -11.51743765
  H     11.68549522      7.19625846    -14.72562316
  O     10.37233459      9.39655524    -12.85841330
  H     14.11223597      3.55362209     -9.74275870
  H     10.85995804      8.45629060    -14.42506509
  O     16.28050059      3.80292455    -12.08638900
  H     14.50364261      2.09744720     -9.41427040
  H     17.77217903      7.54409279     -8.85971004
  O     12.78015074      2.65559970    -12.46245412
  H     12.29161235      8.19405398     -7.80961635
  H     16.71052663      7.24035483     -9.94470141
  O     14.74543985     10.49482166    -11.91451401
  H     13.38178538      8.37233650     -8.88992113
  H     17.64920203     10.95503134    -13.85612908
  O     13.52505673      5.26038708     -9.38937421
  H     11.85083286     10.47983890    -13.29911302
  H     17.47524939      9.58658567    -13.14933263
  O     11.51556393      4.86371508    -11.34517739
  H     12.86223986     10.59696140    -14.45621413
  H     15.63471501      8.97241511     -9.34126255
  O     17.97933077      5.75305058    -13.33494420
  H     10.56933306      8.76336587    -12.14585750
  H     14.71198957      9.86212243    -10.19724187
  O     14.51229530      7.82924782    -12.72145300
  H      9.49774670      9.73494190    -12.68446341
  H     18.15740780      7.41897348    -12.60114753
  O     11.30105394      7.98084736    -15.14074461
  H     15.67815991      3.87621328    -12.84360442
  H     17.96221446      8.26071916    -11.31133130
  O     17.25043410      7.94775225     -9.54892566
  H     15.81596873      3.29117704    -11.41399614
  H     13.19322899      6.74234722    -13.23905911
  O     17.01067413     10.27388553    -13.66445927
  H     13.34538528      2.96432112    -13.18014721
  H     12.14499521      5.66395021    -12.86329400
  O     14.73952119      9.32631440     -9.39234195
  H     13.36479804      2.52559177    -11.70550172
  H     14.80817575      8.85487865    -15.59481803
  O     18.16200192      8.32203772    -12.25156035
  H     13.99223494     10.77879025    -12.45641309
  H     16.13608268      9.12445347    -14.81390682
  O     12.60855858      6.06442394    -13.60976445
  H     15.53552216     10.55704447    -12.46425833
  H     16.09758399      6.76575979    -15.61889564
  O     15.60450146      8.43668417    -15.23778539
  H     13.15122697      6.03411594     -8.95070520
  H     16.69815554      5.73973596    -16.60508556
  O     16.36114372      5.83566564    -15.71735874
  H     14.28262727      5.60015985     -9.89238167
  H     13.83661100      4.82955268    -14.06687605
  O     14.55181839      4.19511882    -14.22644899
  H     12.16473682      4.99292998    -10.64006920
  H     15.15167504      4.63228914    -14.84239355
          69
 Energy    -249.20085438627015     
  O     12.64535993     12.58538905    -12.70951971
  H     13.41061795     12.36732364    -13.27109409
  H     17.42564472     11.68916870    -16.90204881
  O     19.22567957      9.28717237    -12.37385052
  H     12.71877273     13.51052713    -12.49031333
  H     13.37893717     10.28258315    -16.74986020
  O     15.93728422     10.11387821    -11.29084827
  H     19.04617851      9.33791188    -13.32370019
  H     12.46496408     11.39585162    -16.22722055
  O     11.21400902     11.26727318    -14.85623825
  H     18.95789029     10.13806245    -12.00999623
  H     16.71182559      9.31565323    -14.33703881
  O     15.03372681      6.71176916    -13.27907250
  H     15.97178404      9.82871571    -12.21829865
  H     15.51839678      8.41604363    -13.85814673
  O     18.60966584      6.79887534    -11.53275988
  H     16.65710537     10.74534366    -11.18292178
  H     13.01855107      8.41797975    -10.64335098
  O     14.67457717     11.78207509    -14.36656328
  H     11.38610554     10.36796565    -14.54821092
  H     14.08040795      7.34608611    -10.32073771
  O     18.16301345      7.03009573    -16.43926438
  H     11.48602985     11.83293746    -14.12396021
  H     18.43117917     10.22654961    -15.56336049
  O     15.97348048      7.39374241    -10.72578336
  H     14.10942788      6.44876140    -13.22451688
  H     18.43749933      8.65863085    -15.61299339
  O     15.99245198     11.23151805    -17.71481889
  H     15.32057838      6.89372078    -12.37101398
  H     16.33228901     12.55688824    -14.04931830
  O     17.57670443      5.90042663    -14.06068246
  H     19.35579196      6.43050235    -11.06725518
  H     17.70046736     12.54052315    -14.74172712
  O     18.25611963     11.85282948    -16.41731038
  H     18.86333098      7.70158064    -11.79971204
  H     18.57240255     12.51597870    -11.03357455
  O     13.28244235     11.24372503    -16.72419177
  H     15.04518780     10.90292623    -14.19966159
  H     17.87147934     12.18645413    -12.37283326
  O     15.83960597      9.32384869    -13.92102782
  H     14.24440335     11.72266012    -15.22936414
  H     14.12417952     10.19757763    -11.33669326
  O     13.13086730      7.48020610    -10.43487059
  H     18.71652749      6.45736992    -16.96291259
  H     12.85935353     10.99726645    -11.72910888
  O     18.41032370      9.42470698    -15.02574745
  H     17.97578498      6.55902950    -15.60730670
  H     16.64351113      7.90993494    -17.20095036
  O     17.26937227     12.74227240    -13.90258619
  H     16.87769238      7.08686733    -10.87045623
  H     15.15617269      8.32561697    -17.05203602
  O     18.15164518     11.81129032    -11.51800948
  H     16.01100317      8.36062726    -10.77209177
  H     12.65044580      9.26899345    -13.06502068
  O     13.17009827     10.11769422    -11.48189714
  H     16.03274937     10.26264774    -17.75684563
  H     12.09377125      7.90126249    -13.50373931
  O     15.95939706      8.48312599    -17.56369199
  H     15.07093493     11.44740525    -17.54099210
  H     12.51079644      6.60847120    -11.81042636
  O     12.27504010      8.79534709    -13.81976249
  H     18.02619922      6.12353122    -13.23722150
  H     11.73201702      5.47438847    -12.52210943
  O     12.27690077      6.23930852    -12.68249688
  H     16.63555024      6.03532042    -13.88307907
  H     13.06565519      8.54415277    -15.42359497
  O     13.38835825      8.40629092    -16.32806466
  H     18.84776743     12.28584482    -17.02619412
  H     12.72995101      7.87393102    -16.77067497
          69
 Energy    -249.20061401335744     
  O     18.89883094     10.47476705    -14.26614659
  H     19.02834478      9.74613692    -14.89217829
  H     16.80733245      4.31336809    -16.08203818
  O     20.89242164      7.09731379    -13.92425160
  H     17.96800460     10.70485453    -14.35491158
  H     15.86635750     10.05987448    -12.98530578
  O     14.84367264     10.41513820     -9.62838560
  H     20.40690215      7.46224190    -14.67887615
  H     16.64514536      9.24959170    -11.90090827
  O     16.06148986     10.67330516    -14.68109584
  H     20.85691380      7.78650508    -13.25384046
  H     18.00246609      6.08989740    -13.80081274
  O     13.27370167      8.02232477     -9.51055682
  H     14.71987366     11.35452256     -9.52080616
  H     17.63980806      7.25825445    -12.83707630
  O     19.01264369      3.21209888    -11.97761303
  H     15.14677499     10.27377216    -10.54164117
  H     14.71963436      8.17435634    -12.11179075
  O     15.55029620      5.29094156    -10.71692807
  H     15.62743316     11.42487783    -15.07631549
  H     14.23422559      6.99609125    -12.98347723
  O     19.29359115      4.85450363    -14.22360501
  H     15.89294499      9.91677832    -15.27142658
  H     18.51815400      6.34035726    -10.77009294
  O     16.20467635      3.28984853    -12.61858758
  H     13.38595540      7.73654891    -10.42819192
  H     17.37362217      5.34569030    -10.60142012
  O     15.28721152      3.67879982    -15.13117340
  H     13.65010418      8.91034815     -9.46903566
  H     17.57099265      6.90929019    -18.73449827
  O     18.97106369      8.12428434    -15.69277588
  H     19.53898385      2.59910597    -11.47237861
  H     17.48916415      6.20182095    -17.36149533
  O     17.59330269      4.72568675    -16.45951850
  H     18.86247810      3.99188547    -11.41143418
  H     16.37720734      7.75018696     -8.57327809
  O     15.80801557      9.69141891    -12.09445169
  H     15.36086670      5.49653725     -9.79285747
  H     16.22476020      9.22789689     -8.97020574
  O     17.43309991      6.86524697    -13.69302531
  H     15.11736001      5.98219548    -11.23621241
  H     19.85987692      9.90952592    -12.92714255
  O     14.20619539      7.35625347    -12.08644431
  H     19.98649529      5.51329279    -14.06637710
  H     21.03244027     10.05614963    -11.92650458
  O     18.33963939      5.41417393    -10.58450645
  H     19.31236020      4.21524880    -13.50141440
  H     14.85318861      5.47961043    -14.84327172
  O     17.46193964      7.07139036    -17.80183620
  H     15.89384759      3.89971035    -11.93666579
  H     15.78516045      6.57258718    -14.27274097
  O     16.87224086      8.51703241     -8.88673521
  H     17.13658874      3.12868602    -12.43194625
  H     15.14105599      7.81843748    -15.75356994
  O     20.34121466      9.46248442    -12.20667847
  H     14.73907090      2.93964921    -15.37967580
  H     16.15089883      8.11780352    -16.87314633
  O     14.87721110      6.40618499    -14.57892792
  H     15.61244976      3.49561078    -14.23088939
  H     14.31533939      6.96135368     -8.58129374
  O     15.53432914      8.53983271    -16.26338710
  H     18.60648373      7.85012028    -16.54121097
  H     14.70088595      6.10108519     -7.35193869
  O     15.02052259      6.41078317     -8.19484347
  H     18.37066154      7.76230728    -15.02266192
  H     18.90189720      8.66739606    -11.45248509
  O     18.07513500      8.19074451    -11.29951443
  H     18.27181636      4.69020374    -15.77147964
  H     17.76280186      8.32405393    -10.39007233
          69
 Energy    -249.20051300640799     
  O     16.12885381     11.31910404    -15.54630908
  H     15.20557160     11.03627716    -15.64004764
  H     19.13339843      5.99037941    -16.58904982
  O     13.97103031      6.03184049    -15.84578127
  H     16.56155628     11.17134190    -16.39326914
  H     19.56839014      8.21681983    -17.42460212
  O     18.13006908      7.76977242    -12.35981461
  H     14.37821637      5.32597350    -16.36480140
  H     19.75161269      8.80484690    -16.00941672
  O     19.50874522      6.51091762    -18.31718691
  H     13.59517805      6.68083811    -16.45471861
  H     15.62260559      6.89232882    -15.51061894
  O     16.92861114      5.92406402    -18.86192263
  H     18.94954337      7.81071814    -12.86276813
  H     16.43657169      8.09261138    -14.92166826
  O     14.20533853      9.01683181    -10.12775602
  H     17.54140039      8.42523914    -12.76954199
  H     13.33984941      9.50567959    -16.11827897
  O     13.94751120      6.20084194    -13.10844199
  H     20.09385340      6.19183461    -18.99848918
  H     13.48471767      9.82472923    -14.61296525
  O     16.41700121      9.39426157    -13.67095140
  H     18.60286345      6.28182986    -18.59382538
  H     14.96830319      5.47915283     -9.88787082
  O     17.03227923      3.97018289    -14.85788190
  H     16.45349961      5.29008259    -18.31167602
  H     15.85589467      4.50361769     -9.07671544
  O     13.45539043      6.24538462    -10.33914539
  H     16.49614101      6.78000209    -18.73740501
  H     14.15640908      8.30533331    -17.83844416
  O     15.53658575      4.09295742    -17.11235515
  H     15.12403872      8.70370774    -10.04691778
  H     12.67122506      8.32344759    -18.27582794
  O     18.81742282      5.93347033    -15.67870281
  H     14.08019260      9.67589176     -9.45028758
  H     21.14740865      7.59328735    -14.17015990
  O     19.51807687      9.03530003    -16.91442504
  H     13.79745292      6.03609803    -14.04855794
  H     19.80929870      7.05443876    -14.72815499
  O     16.45542866      7.37626191    -15.57085930
  H     14.86007476      5.93749041    -12.92143367
  H     17.14430732      6.19514059    -12.48815231
  O     13.56505852     10.20557474    -15.49728951
  H     16.43886467     10.15714876    -14.26788809
  H     16.41386848      5.19661975    -11.55335827
  O     15.88309106      5.16982985     -9.75750225
  H     15.50967214      9.30694076    -13.35009613
  H     17.30868001      7.93961945    -10.67140903
  O     13.24662163      8.13624593    -17.53848178
  H     17.80759574      4.47741370    -15.13567712
  H     16.53764487      6.98701049     -9.73891368
  O     20.22927844      7.82031623    -14.29949598
  H     16.80236601      4.33104396    -13.99187289
  H     17.99059305     11.33386421    -18.47307755
  O     16.56165782      5.42310466    -12.48048963
  H     13.42427019      6.14794114    -11.30123461
  H     18.31169456     10.13051210    -17.55571082
  O     16.69544969      7.92074196     -9.92528574
  H     13.54613347      7.19278659    -10.17727737
  H     13.82395881      9.13230259    -11.95881395
  O     17.58609414     10.64356460    -17.95464639
  H     15.30165475      3.21552505    -17.40339624
  H     13.77158663      8.00756721    -13.01508099
  O     13.78368484      8.96994167    -12.90988081
  H     16.06116649      3.98608133    -16.29764921
  H     16.41751466      9.23615774    -18.19396540
  O     15.91655912      8.42152168    -18.06642121
  H     17.98372660      6.43214061    -15.64084479
  H     16.16471674      8.09231486    -17.18750286
          69
 Energy    -249.20021356380306     
  O     15.72020259     11.35640739     -9.11493620
  H     16.07725034     11.89781546     -8.41583429
  H     14.40867788      6.64361766    -15.08862367
  O     12.77145842      5.96879900    -11.64026640
  H     16.41545322     10.71871731     -9.35652875
  H     17.71488050      7.22361211    -14.77927351
  O     17.43992906     10.16428509    -12.62364081
  H     13.28897580      5.31667516    -12.12658846
  H     18.00355132      5.93779253    -15.58915807
  O     17.82759242      9.00151708    -15.07404454
  H     13.35899957      6.30250062    -10.94762056
  H     15.91911954      9.10375895    -12.25323915
  O     15.72583171     12.10586717    -13.82224740
  H     17.78947784      9.72141071    -13.40951968
  H     15.05953426      8.04394343    -11.47518665
  O     14.65768047      7.09519158     -9.93297153
  H     16.95022536     10.92934018    -12.94988276
  H     13.11812278      9.62167361     -9.65878044
  O     15.27264764     10.03797725    -15.70573129
  H     18.28528024      8.92585326    -15.92354657
  H     14.32386010     10.09935367     -8.83415430
  O     15.77761058      6.20202488    -17.98912664
  H     16.94405451      9.34143755    -15.27049029
  H     14.40215480      3.33045584    -13.32656887
  O     11.32823598      7.84930795    -12.93421478
  H     15.18973046     12.15969054    -13.01011428
  H     14.58250008      4.73239109    -13.95018107
  O     16.98908420      5.41914783    -12.15851034
  H     15.97376825     12.99977053    -14.04442580
  H     13.55941489      9.54660643    -11.74274090
  O     13.65384038      8.16412359    -14.48833583
  H     14.33622989      7.85370661     -9.42102749
  H     12.05177493      9.34194785    -11.94719920
  O     14.90590904      5.84598397    -15.32029440
  H     15.57412818      6.92382320     -9.68961892
  H     17.33506694      6.25137680    -10.67519463
  O     17.61369351      6.26103138    -14.76750542
  H     15.33983679     10.79931706    -15.11549970
  H     18.01010345      6.18005321     -9.28664206
  O     15.08186744      8.62800594    -12.24422693
  H     14.60929565      9.43724576    -15.33542724
  H     18.74231428      4.94661229    -17.93628341
  O     13.64851487      9.41092205     -8.87884822
  H     15.70747061      7.15528710    -18.12460794
  H     17.45619928      5.77925886    -17.70966355
  O     14.50570809      4.25358707    -13.10834016
  H     15.31577676      6.01002902    -17.16216375
  H     17.60857500      8.61929657     -9.86247808
  O     12.69199023      9.91255877    -11.50902960
  H     11.79445020      7.14428128    -12.44622666
  H     17.72296364      9.80494467    -10.85208202
  O     17.44388647      6.72269214     -9.82921253
  H     10.41461677      7.58535105    -12.99266644
  H     15.48089593      9.60311112    -18.91853007
  O     18.38139391      5.66568364    -17.42526064
  H     16.15197942      4.97559766    -12.33469252
  H     15.61231479      9.47433741    -17.38649482
  O     17.60217853      9.58175613     -9.91811735
  H     17.33021891      5.68557553    -13.02223703
  H     13.61932665     11.52571249    -11.50940530
  O     15.85988053      9.06186352    -18.22979784
  H     12.75200935      8.09386903    -14.15502977
  H     14.84673719     11.95881940    -10.68155120
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  H     15.83794724      6.01430749    -15.11389264
  H     17.77637939      8.73537910    -17.99839610
          69
 Energy    -249.20012522605418     
  O     -3.10560590     -1.67143530      6.96200581
  H     -3.18150864     -2.61761521      7.13467570
  H     -0.99067060     -5.73406496      1.30485863
  O      0.15720433      1.06698385      1.10059551
  H     -3.91157627     -1.42766143      6.48721204
  H      1.93167030     -0.75803689      3.29607281
  O     -4.45083306     -0.46974970      3.02053943
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  H      1.97195377     -1.29041615      1.85050507
  O      1.75201870     -1.54175695      5.01848067
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  H     -0.11538125     -2.68943199      1.43530113
  O     -3.18760904     -4.54972392      6.94888830
  H     -4.62057612     -1.06914424      2.27896622
  H     -1.55227206     -2.54928855      0.83004228
  O     -0.96085075     -1.48134167      5.28453846
  H     -3.50721702     -0.27213148      2.99199735
  H     -1.73716201     -4.10041228      2.30895334
  O      1.56850149     -4.32473349      4.32928093
  H      0.79526797     -1.48266824      5.18557318
  H     -3.01731129     -4.96758458      2.52390816
  O     -5.18369978     -3.99877127      4.97623065
  H      2.18624447     -1.22716472      5.80767323
  H      1.55637932     -2.75006166     -0.02896945
  O     -0.71129425     -0.23067138     -1.23448345
  H     -2.41815947     -4.55442110      6.35412603
  H      1.91981575     -3.69143803      1.17421395
  O      2.12479637     -5.38279784      1.90537445
  H     -3.03333811     -5.22588730      7.60313528
  H     -4.99644529     -4.51698834      3.34520148
  O     -0.98205178     -4.60196996     -1.70310926
  H     -1.23548103     -0.96807039      4.51270236
  H     -5.49580995     -5.46148679      2.22692552
  O     -0.35680563     -5.89620784      0.59319541
  H     -1.67638145     -1.44424231      5.93629051
  H      0.46724653     -1.72626732     -1.65682133
  O      1.94595591     -0.47589363      2.37468392
  H      1.77639554     -3.40442808      4.52908606
  H      0.35716559     -3.25895064     -1.82465070
  O     -1.05224315     -2.60494118      1.65606331
  H      0.68320661     -4.47146017      4.68571317
  H     -1.13023985      0.37217580      2.37869127
  O     -2.05674598     -4.96147032      2.62326390
  H     -5.34555661     -3.05652693      5.11480309
  H     -1.48202962     -1.11821377      2.49831410
  O      1.65222223     -2.79710988      0.93339164
  H     -4.57491346     -4.26948470      5.67332597
  H     -2.03756624     -3.18138716     -1.16219322
  O     -4.83251301     -4.80712197      2.42911216
  H     -0.42024897      0.20628982     -0.41898792
  H     -1.95474106     -1.63122306     -0.99966610
  O      0.98841326     -2.53664056     -1.70813389
  H     -0.85774686      0.46285756     -1.87445907
  H     -6.20085892     -0.69403773      5.58936516
  O     -1.64476982     -0.24980580      2.90171495
  H      1.94064335     -5.05191945      2.80356284
  H     -5.09026928     -0.91093436      4.53433206
  O     -2.45017694     -2.41759749     -0.73581981
  H      2.90670516     -5.92455047      1.96712044
  H     -1.49341184     -4.60251812      4.28646876
  O     -5.42440981     -1.21278488      5.39950391
  H     -0.74928069     -5.09092883     -0.89315550
  H     -1.10582200     -3.32970386      5.11152657
  O     -1.14598774     -4.29683967      5.13770470
  H     -1.15992136     -5.25485275     -2.37469224
  H     -4.03196861     -2.38033981      0.31596538
  O     -4.72162919     -2.32554941      0.98835496
  H      0.51513153     -5.82257920      0.99922117
  H     -4.77342033     -3.19414849      1.40517935
          69
 Energy    -249.19976268893600     
  O     13.78427658      1.82583483    -14.05120864
  H     14.07660926      1.52965721    -14.92452772
  H     18.45383535      6.14421417    -19.06377552
  O     19.87154898      8.05691353    -16.32972892
  H     14.58747910      1.97656513    -13.54141700
  H     15.43392544      3.80505612    -12.56093096
  O     14.21250451      5.13421786    -11.91151701
  H     19.21433448      8.72152234    -16.08865879
  H     16.17778044      3.36392569    -13.85781650
  O     13.71082144      4.73639777    -19.56889125
  H     19.74992028      7.32366715    -15.71306993
  H     16.84450235      4.00931229    -19.65406365
  O     18.44688879      4.54982840    -12.25530439
  H     14.96484582      5.74562838    -11.82626011
  H     15.32749032      3.77611051    -19.83399293
  O     16.97972267      8.97876851    -18.40638828
  H     13.78654327      5.10318038    -11.05856571
  H     18.98899610      5.41672668    -13.85415259
  O     14.94837557      6.07934277    -15.79098016
  H     13.37558466      4.36169425    -18.73416287
  H     19.06359700      5.21088097    -15.39499784
  O     18.81880843      4.04736184    -16.74588169
  H     12.97179072      4.77331668    -20.16991464
  H     17.60214802      6.96114923    -14.55034952
  O     14.80628618      1.62935065    -16.66613529
  H     18.98685336      4.06799786    -11.63371778
  H     17.02624312      8.37451560    -14.84529948
  O     17.59911841      9.76783928    -15.89339446
  H     17.67662579      3.98925762    -12.44926073
  H     13.23070321      3.54943521    -14.33783627
  O     16.32490685      3.67347457    -15.62081556
  H     17.80172482      8.61797880    -18.76016777
  H     13.30194682      4.85905664    -13.55236900
  O     17.81254771      5.43911508    -18.91046836
  H     16.32316979      8.27235576    -18.47873721
  H     12.77047989      4.02127465    -16.36706090
  O     16.12037919      3.21552894    -12.90013566
  H     15.49530709      6.62471767    -15.20830755
  H     13.47122628      2.85625422    -17.09227177
  O     16.18538253      3.33537332    -19.86362776
  H     14.24394069      5.65629881    -15.28276811
  H     19.18543707      0.56640234    -17.03727662
  O     19.06833118      5.88139085    -14.69570933
  H     18.51992827      4.51589521    -17.53884104
  H     18.06503708      1.14654452    -17.91303760
  O     16.83465094      7.53523427    -14.40890013
  H     18.96450115      3.12155843    -16.98623127
  H     15.17241431      6.51840834    -17.47961110
  O     13.09732325      4.50586273    -14.42743974
  H     15.37784612      2.33251054    -16.31679243
  H     14.75387827      6.13849986    -18.91965233
  O     12.90789191      3.62995364    -17.23536802
  H     15.29649834      1.22568998    -17.38931696
  H     17.22061314      6.01559918    -11.79106147
  O     18.86727832      1.37947170    -17.42265095
  H     17.52095448     10.71333289    -15.80279558
  H     16.55288772      7.09829437    -12.65112686
  O     15.37039655      6.68170081    -18.41462605
  H     17.31510133      9.54545754    -16.79863295
  H     19.70259884      7.78371444    -18.05009301
  O     16.47255993      6.62363608    -11.81130190
  H     17.20764997      3.76594351    -15.99928498
  H     20.24884040      7.95879086    -19.48740811
  O     19.48413142      7.67644809    -18.99343252
  H     15.85697758      4.50737436    -15.76053736
  H     16.32432982      0.23072641    -19.52270954
  O     16.48729078      0.87272497    -18.83702758
  H     16.97187398      5.87448776    -18.70574765
  H     16.37790165      1.75217604    -19.24538874
          69
 Energy    -249.19943929723695     
  O     10.58118271      9.91378902    -12.49776834
  H     11.43344697     10.36359884    -12.41756667
  H     15.29057602     13.73187105    -12.69959491
  O     14.85332418      7.93521844    -15.61722522
  H     10.43084234      9.78431999    -13.44230811
  H     16.42573463      9.62887577    -13.38301209
  O     17.42626446      8.94501980     -9.77718695
  H     14.21210148      8.66020080    -15.60541267
  H     15.57678486      8.52645935    -14.08597445
  O     17.34234042     11.38448191    -16.32819574
  H     14.44306788      7.19811256    -15.14164922
  H      9.82745921      7.29926992    -10.87460962
  O     13.09233840     10.03588843    -15.15083739
  H     17.36731468      7.97360083     -9.82983077
  H     10.55576223      8.35099298    -11.74530145
  O     14.82581890      4.73232949    -10.33793566
  H     17.84818914      9.14628418     -8.94570471
  H     16.92553219      7.25358328    -12.94988859
  O     13.69883009      6.07546937    -13.89256335
  H     17.75008790     11.94855957    -16.97978748
  H     18.31608740      6.75766206    -13.35204503
  O     14.80310007      9.19059041    -10.86348708
  H     16.40891972     11.65632517    -16.26619559
  H     11.88074600      6.34972716    -14.22587431
  O     15.67666019      4.35258102    -13.08854167
  H     13.16534491     10.24812557    -14.21007364
  H     10.76020486      6.77458875    -13.25499441
  O     17.22790094     11.32802631    -13.50948820
  H     12.17663363      9.77189905    -15.30548170
  H     19.19790435      9.10684736    -12.72169170
  O     17.59042222      8.56195929    -16.13615664
  H     14.31580938      4.15022371     -9.78055068
  H     18.51010903      9.44240921    -11.36236105
  O     15.04629735     12.90557642    -13.10816990
  H     14.23521246      5.45921895    -10.59808816
  H     18.81473464      8.13453170    -14.95149096
  O     15.96293566      8.79405029    -13.24247937
  H     14.33464474      5.35428640    -13.77966509
  H     20.28588091      7.72971211    -14.70205594
  O     10.59352995      7.43101670    -11.42634622
  H     13.58025163      6.44570764    -13.00793171
  H     17.44536613      6.26034585    -11.07430964
  O     17.51661484      6.48970088    -12.88501371
  H     15.16469608      9.01495524    -11.75035618
  H     16.44396869      5.70773240    -10.04931384
  O     10.97154422      6.67671074    -14.19114750
  H     15.57986386      9.22739105    -10.29505284
  H     14.13392942     11.42807149    -15.79118255
  O     18.98390408      9.82357857    -12.11132767
  H     16.40549402      4.98816354    -13.11624224
  H     14.78394371     12.58362958    -15.01826527
  O     19.46429116      7.92024124    -14.25760909
  H     15.43400110      4.28695050    -12.15708443
  H     13.78392871      7.69164827    -10.96634414
  O     17.21688883      6.27739109    -10.13332796
  H     17.95382460     10.92226697    -13.01103187
  H     12.36715432      7.06101535    -11.17578426
  O     14.77758194     12.14469274    -15.87721389
  H     17.45885553     11.35198425    -14.44640413
  H     13.75392258     11.66439097    -12.60826556
  O     13.31467211      6.87462009    -11.18453993
  H     17.52070820      9.50858089    -16.31177743
  H     13.70114647     10.35193825    -11.78899890
  O     13.21832503     10.87867131    -12.44007249
  H     16.68396932      8.23034134    -16.10407820
  H     10.62284033      8.20107886    -14.95208306
  O     10.46417440      9.11377548    -15.25524128
  H     15.85720003     12.36935009    -13.16691298
  H      9.77075543      9.07301095    -15.90765727
          69
 Energy    -249.19918807563826     
  O     15.61889122      9.86604348    -15.03119946
  H     15.32088205     10.72230018    -15.35989692
  H     12.52305991      9.95235860    -12.64147666
  O     15.93348433      6.93145047     -8.88320848
  H     14.99541089      9.17254462    -15.29085115
  H     12.58024058     10.57143506     -8.78534526
  O     15.13359852     12.51305096    -15.71234379
  H     16.01340274      7.89439699     -8.75379312
  H     13.01398569     10.31063048    -10.24590129
  O     13.25001955      7.26936160     -9.80558724
  H     16.34373295      6.51496177     -8.13080407
  H     16.86591031      5.60011892    -15.86469798
  O     14.20491886      7.58796208    -15.61535049
  H     16.03388229     12.71112736    -15.39209700
  H     16.21747650      5.18077502    -14.53878934
  O     18.00567702      8.71905616    -15.61772567
  H     14.96928506     13.08399879    -16.45717652
  H     15.99377168      7.88823593    -11.83486597
  O     19.56622401     10.87721392    -14.90047083
  H     14.11314214      7.01854707     -9.45540890
  H     16.31374351      6.88277421    -10.69185600
  O     18.43431395      7.01302794    -13.47695351
  H     13.14528208      8.20422400     -9.59174822
  H     16.99358682     13.85406735    -11.27121093
  O     12.28467381      6.24621340    -12.12300423
  H     14.37535684      6.97886381    -14.88013324
  H     17.04676921     12.32472454    -11.48414137
  O     14.14728596     12.71613713    -13.02524190
  H     14.82081034      7.33272261    -16.31265496
  H     17.11211785      7.60021718    -16.77548607
  O     12.18757291      8.58377002    -13.76499992
  H     18.19042137      8.12825398    -14.87156870
  H     16.79018863      6.93006601    -18.12906886
  O     12.86123247     10.54760991    -11.95646778
  H     17.18120010      9.18902777    -15.41094177
  H     15.55376462      9.64861563    -13.26580599
  O     13.20530429     10.08654128     -9.31820996
  H     20.38120842     10.94851588    -15.39226905
  H     14.51985869      9.77599170    -12.12324628
  O     17.05046833      5.15817959    -15.02824695
  H     19.08405864     10.11778742    -15.26730352
  H     17.39831136     13.03524744    -13.66827290
  O     16.37622201      7.01742450    -11.64379521
  H     17.80202652      7.02956400    -12.74332372
  H     18.28180586     12.26322655    -14.68257808
  O     16.77463420     13.16383654    -11.89229518
  H     18.15511184      6.26127671    -14.01971143
  H     16.67468428     10.28088247    -11.40338675
  O     16.50585366      6.98568825    -17.22004712
  H     11.54915857      5.67843319    -11.90869629
  H     18.21510345     10.29730459    -11.29522565
  O     15.41407281      9.47751251    -12.32450989
  H     12.61958877      6.59984369    -11.27955269
  H     15.31616596      6.17307049    -12.83841489
  O     17.56536175     12.90486960    -14.61079109
  H     14.98310016     12.91201494    -12.58463777
  H     13.84141421      5.80643620    -13.08041938
  O     17.41251142     10.69174194    -10.92511595
  H     14.34617929     12.71380843    -13.96881074
  H     19.58777648     10.02501337    -13.15042174
  O     14.70747041      5.82309552    -13.50578388
  H     12.12594336      7.79167194    -13.21453936
  H     19.27063558      8.59805196    -12.67105183
  O     19.44460144      9.49405363    -12.35814536
  H     12.71065562      8.32255749    -14.53037812
  H     15.07265080      9.90625299     -8.90963979
  O     15.97923285      9.62978904     -8.72465163
  H     13.20351857     11.35579237    -12.36832496
  H     16.54874894     10.07090355     -9.36823652
          69
 Energy    -249.19886622845900     
  O     13.63128436      3.24629814    -12.42738293
  H     14.27240893      3.51731535    -13.09697011
  H     16.54229971      8.55483378    -11.54831850
  O     13.83382002     10.84937433    -14.80431206
  H     12.75271364      3.44310134    -12.77476586
  H     13.28252897      6.95335928    -11.52305779
  O     17.19881460      9.45603509    -12.95171366
  H     13.21288130     10.45538110    -14.16930349
  H     14.61390645      7.60671337    -11.92626146
  O     10.13189894      8.05334905    -13.28045378
  H     13.32405706     11.42735812    -15.36660807
  H     10.38234623      3.31476105    -13.62047036
  O     18.04199204      4.71028043    -15.46410689
  H     18.08586021      9.10436393    -13.09794040
  H     11.10607921      4.63323014    -13.98251580
  O     11.26178682      6.03657928    -14.99991573
  H     16.66527431      9.18468889    -13.71313532
  H     20.50597786      8.27863071    -13.42781746
  O     16.59481538      5.23965179    -11.44137328
  H      9.30557181      8.52380013    -13.35897590
  H     19.41964196      7.19373249    -13.23179351
  O     14.22475218      8.73728385     -9.06453952
  H     10.82038805      8.72181932    -13.12926313
  H     13.84860265      6.78355903    -13.88590062
  O     18.04741445      7.39536987    -15.87141126
  H     18.01942952      5.65713340    -15.69252735
  H     14.59144262      5.69846860    -14.67742673
  O     13.33360656     10.97129290    -10.70169341
  H     18.46410703      4.26116474    -16.19118393
  H     14.94197123     11.52796717    -13.29693340
  O     12.29634258      9.66309852    -12.83406974
  H     10.86951671      6.78111003    -14.52767206
  H     16.16006558     10.98375238    -12.54810713
  O     16.13608726      7.89857599    -10.96481051
  H     12.20683896      6.22316629    -15.08735821
  H     15.07830250      7.92934888    -15.12750688
  O     13.72967945      7.39592923    -12.25338166
  H     15.97409540      4.77896166    -10.86570019
  H     15.05543788      9.47917999    -15.19028804
  O     11.04040185      3.93145786    -13.31066040
  H     16.50150602      6.18231065    -11.23650898
  H     18.77655488      5.11627348    -13.72292619
  O     19.57530605      8.10497335    -13.53892842
  H     14.25036948      8.83740316     -8.11583093
  H     18.27507949      5.34855985    -12.28252560
  O     14.02942028      6.47666188    -14.78901392
  H     13.69686875      7.94085642     -9.24493375
  H     10.45403034      6.71150386    -11.92268747
  O     15.41457234     11.59115447    -12.45911005
  H     18.64414950      7.73415112    -15.19261828
  H     10.79604911      5.21345250    -11.91606568
  O     15.64327534      8.71417102    -15.16724961
  H     17.22733662      7.89741237    -15.77946876
  H     16.00217873      4.73034007    -13.12273488
  O     19.01014329      5.52980207    -12.88257555
  H     14.11752449     11.26641761    -11.19054399
  H     16.45986404      4.37904481    -14.55877629
  O     10.72972200      5.98941937    -11.34584008
  H     13.62860303     10.28338430    -10.09486338
  H     14.49133178      3.30935358     -9.40681132
  O     15.68837639      4.40562388    -13.97968714
  H     12.81269509      8.85564400    -12.68938793
  H     14.10113067      3.71241294    -10.85010046
  O     14.43239662      4.05478630     -9.99854705
  H     12.49648116     10.22971701    -12.07310424
  H     13.39537555      5.58720461     -9.74686157
  O     12.88585165      6.40806526     -9.74840758
  H     15.64385508      8.34035742    -10.26246538
  H     12.02569346      6.22504479    -10.15854384
          69
 Energy    -249.19878655187802     
  O     15.35297091      9.26131138    -15.60062596
  H     15.33690472     10.19635290    -15.79209016
  H     16.74599918      3.06260935    -17.82421229
  O     13.98316675      2.80044361    -15.97707438
  H     16.02130522      8.87376030    -16.18552462
  H     20.17844893      5.15205825    -16.37160326
  O     18.02008544      6.19706987    -11.91623295
  H     14.85578878      2.64694557    -16.38498086
  H     21.44033255      4.50954669    -15.74472430
  O     19.33392785      5.76254637    -17.76859895
  H     13.42477030      2.07137085    -16.23288852
  H     17.20238394      7.09700910    -16.49245787
  O     17.41448109      4.21137395    -19.18641833
  H     17.76940877      5.29392516    -12.15817678
  H     18.10172819      8.37599028    -16.53613720
  O     13.86206587      5.89427538     -9.98093180
  H     17.40286440      6.78714786    -12.37412038
  H     15.79907522      5.52930797    -15.97706586
  O     14.50712231      3.66885734    -13.33536269
  H     18.84468322      6.58526003    -17.67356911
  H     17.13810326      4.92898637    -15.41922114
  O     16.19470944      7.53420999    -13.49745415
  H     18.75901312      5.16894202    -18.26923633
  H     13.19789883      7.05673621    -14.38467825
  O     18.16268603      3.42060554    -15.06632765
  H     17.49585134      3.94506285    -20.09873147
  H     13.77957732      8.08815734    -15.38067378
  O     14.05038771      3.09744854    -10.61054628
  H     16.82007394      4.98297054    -19.17189542
  H     15.69104110      2.78539175    -10.06737898
  O     19.32697297      9.04972324    -15.50828514
  H     14.81931331      5.87014850     -9.80094973
  H     16.79167058      2.02073243     -9.29072846
  O     16.44136399      2.56594412    -17.05573262
  H     13.45451292      6.34019913     -9.24338791
  H     13.94250287      4.55744936    -16.63661863
  O     20.55014887      4.78865858    -15.54735536
  H     14.20493110      4.58437153    -13.24864462
  H     13.70599362      6.08892216    -16.37183337
  O     17.40418905      7.89405780    -17.01018141
  H     14.27434546      3.35449536    -14.21618375
  H     19.41050962      6.71139789    -13.09647075
  O     16.61721893      5.73517418    -15.50462989
  H     15.97753129      8.32020180    -14.00905454
  H     20.20501756      6.21343127    -14.33117579
  O     13.13486343      7.37571530    -15.29502807
  H     16.38059582      6.84254771    -14.15502649
  H     17.13255467      3.19682929    -11.62869816
  O     16.64455289      2.76557636     -9.86664811
  H     17.94110527      3.37144339    -14.12563562
  H     16.24264289      3.61191752    -12.82804934
  O     14.21164543      5.44653419    -16.89325715
  H     19.05048199      3.78961191    -15.15181489
  H     17.12853309      5.94940657    -10.25595863
  O     19.96046476      7.00277200    -13.83392935
  H     13.82661892      3.99151004    -10.32281877
  H     16.68383728      4.67036123     -9.52289304
  O     17.15946399      3.57660976    -12.51486134
  H     14.08664324      3.13935587    -11.57607504
  H     16.33962623      7.08706270    -18.44449693
  O     16.53484599      5.62297416     -9.56746706
  H     20.02481481      9.69726069    -15.46537506
  H     15.16040510      6.09839999    -18.30936677
  O     15.84872385      6.40598623    -18.91866068
  H     19.56261955      8.35759340    -14.86576481
  H     14.65826525      6.77973422    -12.92074186
  O     13.82523922      6.31139155    -12.76147941
  H     17.10436236      2.71164474    -16.36576604
  H     13.72571169      6.23983404    -11.80409709
          69
 Energy    -249.19848346276848     
  O     13.78203514      4.57539555     -9.87538534
  H     13.42978492      3.83853967     -9.36033255
  H     14.38024714      9.91169856    -12.06218958
  O     12.11836625      4.71657006    -12.11932454
  H     13.19868846      4.68150838    -10.64035529
  H     15.72613364      7.27615498    -13.49338916
  O     16.17930353      3.38851889    -10.65445953
  H     11.71968926      5.57468129    -12.30213556
  H     14.68579053      7.28564431    -12.34380252
  O     12.74864017      7.94531900    -15.02923655
  H     12.76333963      4.56482473    -12.82813710
  H     13.78943680      8.05109953    -10.60626536
  O     11.93497240      1.97219444    -11.48746382
  H     16.79326080      4.09953590    -10.87709500
  H     12.70819336      8.08765870    -11.76039740
  O     12.88801698      2.13595297     -8.77856939
  H     15.35198789      3.81923505    -10.39379172
  H     13.19551027      0.98921138    -12.21795076
  O     17.62786887      9.50006049    -12.18136443
  H     13.29827878      8.73389487    -15.08415004
  H     13.59935520     -0.33356505    -12.90828672
  O     14.12644647      4.47791089    -13.94381865
  H     13.21400678      7.26554944    -15.53810118
  H     10.45384075      7.68286979    -12.91264375
  O     16.74932384      8.39614912    -14.55549892
  H     11.83856317      2.89552697    -11.75533210
  H     11.81410712      7.53698817    -13.63590291
  O     17.17668181      6.15936526    -16.14054343
  H     12.08898166      1.99097328    -10.53496474
  H     16.70380040      5.94244226    -12.03117911
  O     17.70367445      4.37086295    -14.16679210
  H     12.62969588      1.77069604     -7.93714468
  H     17.72671603      6.26998468    -10.94162166
  O     14.93505317     10.58744270    -12.48283247
  H     13.66877315      1.63543197     -9.07711841
  H     15.26014278      1.65210908    -13.15124600
  O     15.30378788      6.72179564    -12.82562912
  H     18.37133274     10.06841504    -12.37105049
  H     16.00312084      2.72459066    -12.33358058
  O     13.55310698      8.44273878    -11.46135712
  H     17.39266087      9.07122148    -13.02157061
  H     14.77261718      0.60858097    -10.75240756
  O     13.95619479      0.45783471    -12.51419591
  H     14.70332436      3.72215692    -13.77746844
  H     15.62876872      1.68708369    -10.06303816
  O     11.33753092      7.34088371    -12.80736528
  H     14.56400404      5.26083587    -13.57396121
  H     14.12712137      5.31921917    -15.58937737
  O     17.51733647      5.61359603    -11.61457046
  H     16.05267752      8.95728852    -14.92332343
  H     15.22612686      6.05310456    -16.36423243
  O     15.84853863      2.41216855    -13.23807109
  H     16.95673656      7.69895006    -15.19200962
  H     15.56978346      7.29090772     -9.44536454
  O     15.05865346      0.92553443     -9.88669102
  H     17.71645426      5.94788136    -16.89767463
  H     14.40111631      6.26187579     -9.39895134
  O     14.26960216      5.98558775    -16.27715056
  H     17.37426108      5.48835111    -15.46251854
  H     17.48043292      8.45747031    -10.66522459
  O     14.62216505      7.19858185     -9.30012486
  H     17.16139541      3.59018619    -13.99734634
  H     17.90588128      8.27822958     -9.19242124
  O     17.44225133      7.85081133     -9.90917304
  H     17.85919208      4.77471325    -13.30351057
  H     14.67706129     10.38807315    -14.19154916
  O     14.62307125     10.12354766    -15.12813003
  H     15.84041241     10.37374665    -12.23547373
  H     14.46536615     10.91619585    -15.63362520
          69
 Energy    -249.19805915528121     
  O     13.88062629     11.44515379    -16.57798847
  H     14.81591553     11.67424576    -16.55733887
  H     15.85377399      4.83852702    -13.70917343
  O     15.83589715      6.23749349    -12.61246913
  H     13.59455977     11.32790914    -15.65950242
  H     16.80254487      8.51002669    -18.21109618
  O     19.14952625      8.99304329    -13.42475116
  H     15.27447961      6.88530003    -12.16610692
  H     15.46074018      9.27554940    -18.29698645
  O     17.48087557      6.74865838    -18.10133751
  H     16.74419420      6.36133770    -12.29828242
  H     17.08813417      7.70662812    -15.14929630
  O     15.47264912      5.36478432    -16.88812833
  H     18.45668229      9.63553160    -13.63656564
  H     16.06785706      7.37764398    -14.02689504
  O     16.88870646     11.20768035     -9.88511662
  H     19.27360677      8.48341366    -14.23652781
  H     12.77186019     10.00740120    -13.87444320
  O     14.29071290      8.28401862    -11.61060098
  H     16.76998324      6.21780131    -17.70005473
  H     13.76052294     11.02539240    -13.27934768
  O     16.95787613     10.51519642    -14.23088312
  H     17.78171155      6.26814795    -18.86829871
  H     17.57765837      7.80689049     -9.28267144
  O     18.79589551      4.95470710    -14.23353791
  H     14.76067287      5.97434611    -16.65626277
  H     18.73875756      7.16485523     -8.48279053
  O     15.99565399      8.54541214     -9.32142860
  H     15.67117577      4.87435842    -16.08072983
  H     11.49558137      7.78143430    -13.75753820
  O     18.80490666      7.29243828    -15.66933022
  H     17.73015988     10.84028864    -10.21005440
  H     12.83555463      7.82799733    -14.52485834
  O     16.02482100      4.14364469    -14.36755501
  H     17.10762042     11.95253191     -9.33193711
  H     18.57000474      6.83227753    -11.04257019
  O     16.41525157      9.39264140    -18.21152481
  H     13.54456742      8.16436130    -12.21135407
  H     18.71291369      7.47953505    -12.44866597
  O     16.22167941      7.94512904    -14.79295311
  H     14.63611156      9.17164786    -11.79030392
  H     19.10324604      9.12270111    -10.21580856
  O     13.10801296     10.90393062    -13.98089781
  H     16.95947018     11.01934904    -15.05376451
  H     19.31794353      9.69273795    -11.63521553
  O     18.50233348      7.50508354     -9.34102513
  H     16.59742194      9.63992977    -14.44633166
  H     12.94427589      9.45067005    -18.83166789
  O     12.39489553      8.09513235    -13.70110801
  H     17.92906441      4.54134385    -14.32312674
  H     13.60570441     10.10272407    -17.59023990
  O     18.47965425      6.66094173    -11.98811941
  H     18.80056053      5.38146547    -13.36564164
  H     15.74074772     11.10701154    -11.34046725
  O     19.15200972      9.94541042    -10.71886581
  H     16.18846871      9.48883332     -9.40186333
  H     15.87785850     10.81705119    -12.85729815
  O     13.56222507      9.28699958    -18.12525458
  H     15.30895715      8.35716080     -9.97212301
  H     17.23344295     12.30391230    -17.26758733
  O     15.24385416     10.84634507    -12.12450780
  H     18.89501612      6.42113451    -15.25102527
  H     16.71407829     10.84633230    -17.29841854
  O     16.76109080     11.65385697    -16.75470106
  H     18.53029977      7.14011051    -16.58126584
  H     13.64156562      8.07598126    -16.76016235
  O     13.80136018      7.50119462    -16.00004203
  H     15.65996489      3.33588858    -14.01409680
  H     14.67556667      7.73302870    -15.64666175
          69
 Energy    -249.19792700592205     
  O     12.00347362     10.29319865    -14.28224410
  H     12.85118065     10.63073909    -13.97409114
  H     20.56637732      7.39402664    -15.06815731
  O     16.23968044      6.12131024    -12.69061588
  H     11.58102956      9.90123597    -13.50820063
  H     16.79467909     11.52351294    -15.58707807
  O     17.40541769     10.39122141    -12.43193617
  H     17.06959726      6.58066525    -12.50161848
  H     15.43795504     11.41988184    -16.31718195
  O     13.31007960      6.44485643    -15.01456492
  H     15.60734277      6.36675547    -11.99965162
  H     15.68419993      7.55073227    -13.73102102
  O     15.27473298      9.94906680     -8.73050028
  H     17.55988621     10.68438990    -11.52460632
  H     15.74002344      8.33383419    -15.08425110
  O     14.45896926      7.05603972    -10.82774852
  H     16.48036173     10.57012936    -12.63883676
  H     10.19662624      8.96676136    -11.55005344
  O     14.73629444     10.74229484    -13.35622857
  H     13.86868528      7.19440630    -14.75531789
  H     11.36844178      8.11988509    -12.10714025
  O     16.61983209      8.63946795    -16.65252505
  H     13.92826300      5.71965857    -15.15639531
  H     18.50246360      7.88960569    -10.41603074
  O     15.87783845      7.32584322     -8.42166142
  H     16.06989514     10.40355938     -9.03318349
  H     17.61725727      7.75232197     -9.14859640
  O     17.78961547      6.21034848    -16.06101083
  H     14.63584916     10.00003196     -9.45514921
  H     12.44587492      6.44737262    -13.33717650
  O     15.61863794      4.67433533    -14.92837711
  H     14.21322801      7.98598620    -10.93223630
  H     12.90606494      6.54710436    -11.85924827
  O     19.69537676      7.66276340    -14.78820065
  H     14.89624222      6.99019633     -9.96948069
  H     18.94390509      9.43968447    -15.05301455
  O     15.88768786     11.84622564    -15.57507439
  H     14.84227412      9.82316302    -13.65946550
  H     18.08078956     10.35657008    -14.17258126
  O     15.26605282      8.25154529    -14.24549340
  H     15.06528008     11.30375200    -14.07390860
  H     18.96445841      7.68266561    -13.07710311
  O     11.08246954      9.02740159    -11.89634578
  H     17.22550094      9.25007862    -16.20719982
  H     18.01080098      8.65934624    -12.34585598
  O     18.39601243      8.19650651     -9.50586163
  H     15.96734953      9.16874965    -17.12812321
  H     18.11213173      9.92058324     -9.56724296
  O     12.13297933      6.59523291    -12.43512871
  H     15.63627847      8.27084694     -8.42993594
  H     18.44071740     11.39712829     -9.22792703
  O     18.33250683     10.18649580    -15.09128945
  H     15.73856313      7.01214006     -7.53209642
  H     14.32921631     10.60584809    -18.48445733
  O     18.40291214      7.77494386    -12.29749706
  H     17.09222919      5.61000465    -15.77694067
  H     13.87943402      9.76707509    -17.26514239
  O     17.82825990     10.84315973     -9.70467498
  H     17.34198401      6.97569773    -16.45168502
  H     14.00576078     10.22063160    -11.75955136
  O     14.61396758     10.29423756    -17.62981624
  H     15.63235381      3.73074357    -14.78602656
  H     12.70388208      9.59903258    -11.18949260
  O     13.63763109      9.75584071    -10.99654024
  H     15.84697032      5.08694065    -14.07684098
  H     12.70544460      7.90424467    -16.21327465
  O     12.65329522      8.81445906    -16.52174123
  H     19.06199523      7.07641550    -15.24043301
  H     12.31813630      9.33376410    -15.77420083
          69
 Ord_Energy   -249.197922    
 O   -12.1229229       4.76165023E-03   1.55635870    
 H   -13.0527935       8.65930021E-02   1.74907947    
 H   -11.8465900      0.838083088       1.13041735    
 O   -4.69972992      -1.87347043       1.93355429    
 H   -5.17661810      -1.40480697       2.63544178    
 H   -4.28506660      -1.19446790       1.38711238    
 O   -3.87161183      0.355183423      0.366416574    
 H   -3.03579640      0.815373302      0.350651771    
 H   -4.50722075      0.942062676      0.812136650    
 O   -6.29272652       2.03018022       4.34932137    
 H   -7.21459246       2.31767344       4.21289682    
 H   -5.94679165       2.54166985       5.07503033    
 O   -9.86424637      -1.31121266      -2.45266104    
 H   -10.2613554      -1.60358202      -1.61193836    
 H   -10.4347429      -1.62390220      -3.14944482    
 O   -9.47770596       4.22756290       1.52015746    
 H   -8.66349983       4.11084604      0.998825788    
 H   -9.66703606       5.16236973       1.52324951    
 O   -6.19984484     -0.781437278       4.06154871    
 H   -6.27035713      0.162770778       4.23862791    
 H   -7.09201241      -1.14802587       4.00441217    
 O   -7.41699362      -4.07386589       5.47997475    
 H   -6.50416660      -3.90751266       5.19186306    
 H   -7.35045385      -4.47342110       6.34335089    
 O   -8.83195972       2.69536233       3.82299805    
 H   -9.27702236       1.84970927       3.66845059    
 H   -9.07359314       3.26767707       3.08512354    
 O   -9.30770588       1.20283175      -1.37750649    
 H   -8.60907364       1.68627143      -1.83612454    
 H   -9.48674774      0.387915522      -1.86411428    
 O   -11.1657629       2.22914529      0.394917905    
 H   -10.6833506       2.94433880      0.825684905    
 H   -10.5915594       1.92311871     -0.321984291    
 O   -9.18116760      -3.56736231       1.57370806    
 H   -9.08154392      -4.51594925       1.55181980    
 H   -8.37995911      -3.18742585       1.16942060    
 O   -9.83480358      0.204710349       3.14547992    
 H   -9.55485153     -0.626475155       3.55287194    
 H   -10.6867352       6.41851500E-02   2.71368551    
 O   -8.69404697      -2.15963364       3.96901035    
 H   -8.90217876      -2.65174675       3.16394544    
 H   -8.35212135      -2.81172276       4.59750032    
 O   -5.83187389       1.81355202       1.58864129    
 H   -6.60318327       1.26950669       1.36126494    
 H   -5.87021208       1.96334553       2.54083586    
 O   -7.11545849       2.58258581      -2.42858863    
 H   -6.48732805       1.84713960      -2.29856420    
 H   -6.92325449       2.96164727      -3.28140545    
 O   -7.06060648      -2.24461603      0.573255122    
 H   -7.40451527      -1.34438074      0.680762768    
 H   -6.19334793      -2.26398706      0.998905540    
 O   -7.04490662      -1.79581690      -2.19671392    
 H   -7.98435593      -1.68942642      -2.38530827    
 H   -6.99931288      -2.09861851      -1.27967370    
 O   -5.50436449      0.490219533      -2.01874542    
 H   -5.99081516     -0.338434219      -2.14588475    
 H   -4.89869404      0.352952659      -1.28405833    
 O   -4.94091654      -3.21059370       4.60920715    
 H   -5.29011536      -2.30885839       4.67511606    
 H   -4.58553839      -3.24570274       3.71693110    
 O   -7.18107033       3.82138944      0.132760674    
 H   -6.60804796       3.23265123      0.640863180    
 H   -7.14729357       3.50147390     -0.776730299    
 O   -8.05422211      0.306552559      0.968309879    
 H   -8.69097900      0.316358238       1.69430530    
 H   -8.49799156      0.630351424      0.173581183    
 O   -10.9106922      -2.00560617      -6.02091700E-02
 H   -10.4080887      -2.57506919      0.534565091    
 H   -11.3676434      -1.35917783      0.491168559    
          69
 Energy    -249.19772945298672     
  O     13.06307962      9.90723518    -15.73745017
  H     13.24536410     10.85504639    -15.72361621
  H     20.36729481      7.26089898    -13.13885765
  O     17.28186037     10.91252969    -11.56100340
  H     13.89973150      9.47662583    -15.49977663
  H     15.86853811     11.04953066    -17.80164479
  O     18.63422461     11.23672482    -16.24457210
  H     16.50683702     11.04361352    -12.12517073
  H     16.91646553     11.67997995    -16.85421113
  O     13.31898511      5.75920214    -16.24458617
  H     17.00571926     11.11863327    -10.65663491
  H     15.52145487      7.97447254    -14.71114112
  O     14.37379798      9.20139253     -9.34217644
  H     18.75608721     11.00566745    -15.30486471
  H     16.26464259      8.94026712    -15.65176927
  O     14.01472118      6.70205979    -12.13933925
  H     19.41651610     11.71222386    -16.51035123
  H     10.35983533      9.59469920    -14.03959047
  O     15.12583066     11.00063514    -13.30289413
  H     12.74367460      5.97270267    -15.48754252
  H     11.80073422      9.44563810    -14.58874235
  O     17.61279174      8.71867944    -16.93519823
  H     13.03513710      4.90926816    -16.57212844
  H     12.56171429      6.35587962    -13.27959761
  O     15.68882498      6.70545583     -9.91873802
  H     13.87431058      9.31914239    -10.16048957
  H     11.54383885      7.29253309    -13.95653424
  O     18.14975638      6.52236020    -15.25372902
  H     14.78137025      8.32958410     -9.40934697
  H     18.49664006     10.72225951    -12.93213897
  O     15.47656442      6.17543370    -14.44431983
  H     13.79243876      7.64346866    -12.09863480
  H     19.25342871      9.53853410    -13.57300706
  O     19.53059396      7.70215425    -13.25637507
  H     14.53707422      6.52499225    -11.34710342
  H     18.19735570      7.87841949    -11.93885011
  O     16.01822969     11.78363433    -17.19423504
  H     14.77960919     11.65902225    -13.91490068
  H     17.41100397      9.06248014    -11.34315802
  O     15.55204110      8.89388191    -15.00402280
  H     15.40637740     10.24785961    -13.84784594
  H     15.53796930     10.52460865     -9.09163057
  O     11.19707598      9.16753657    -13.87842887
  H     18.08789445      9.54331371    -16.76674743
  H     16.15814359     11.59536425     -8.17839902
  O     11.93305942      6.41187285    -14.01252416
  H     17.03125532      8.87404980    -17.69072481
  H     15.65873751      9.41051550    -19.78820735
  O     19.00277639     10.45992596    -13.71257205
  H     16.38168644      7.18689546    -10.41063833
  H     14.91040125      8.92862845    -18.52475306
  O     17.49631602      8.10083294    -11.31651202
  H     16.13467979      6.12834874     -9.30595266
  H     12.47020707      9.39361188    -12.48778876
  O     16.21105592     11.22527382     -9.05478696
  H     18.02343311      7.19391340    -15.93775489
  H     13.88936445     10.01480085    -12.36988733
  O     15.68361276      9.43221268    -18.83529972
  H     17.26526477      6.26632539    -14.95926930
  H     14.78836310     12.31140411    -16.11851683
  O     13.27318347      9.39566720    -11.95423594
  H     15.02781421      6.26154947    -13.59124593
  H     13.84418785     13.42871978    -15.60977624
  O     14.07409869     12.51252928    -15.48521566
  H     14.80949583      5.93787255    -15.10080188
  H     13.48376243      7.28024341    -17.38151451
  O     13.52331987      8.12512962    -17.84579229
  H     19.06645583      7.23729520    -13.97495252
  H     13.17690223      8.78003210    -17.22491491
          69
 Energy    -249.19721102911075     
  O     -0.03551298      5.29593173     16.16588904
  H      0.07889440      5.87710886     15.40432884
  H     -1.00795665      5.09212473      8.35909336
  O      4.69130129      0.58162759     10.40133575
  H      0.77194323      4.77002232     16.23091682
  H      4.28627786      1.41699225     14.77006590
  O      2.01814411     -0.34079180     15.77318927
  H      3.90899495      0.04064221     10.23243664
  H      5.10355338      1.47752256     16.07975354
  O     -1.96750910      2.01083091      9.67697567
  H      4.56484528      1.40953543      9.92338628
  H      1.04510464      0.15337048      9.52250291
  O     -1.10160678      5.42821866     11.92988286
  H      2.79565621      0.20802705     15.92821423
  H      0.92437215      1.64354859      9.14816709
  O     -0.33646775      1.12320067     12.95170077
  H      1.25728436      0.23822275     15.91500081
  H     -2.69864230      3.67706495     16.80722859
  O     -2.80072723      3.84980249     13.31042098
  H     -1.18378964      1.48146660      9.46049961
  H     -1.41374862      4.22764496     16.14451643
  O      4.09540294      1.11757832     13.02344163
  H     -1.74144789      2.92207326      9.46755676
  H     -0.17354887      6.39820014     13.08847984
  O      2.31052358     -1.01537859     10.36660740
  H     -1.16311774      5.28008885     10.97905828
  H      0.29901212      7.75309924     13.66491027
  O      4.42388125      3.76094696     12.06654482
  H     -1.79683594      4.91687039     12.37785680
  H      2.50590821      3.40266965      9.32783347
  O     -0.04964749      1.63658447     15.65270303
  H     -1.24998726      1.10077405     12.64541601
  H      1.40705060      3.35324166     10.42515640
  O     -0.87929705      4.66622659      9.20320888
  H      0.07301564      1.93168491     12.60888478
  H      1.35203579      2.79160891     15.79018577
  O      4.22043279      1.56213971     15.72943160
  H     -2.96272288      2.97869739     12.92717585
  H      2.88574211      2.86211952     15.95698230
  O      0.44666723      0.80377317      9.13964895
  H     -2.62245282      3.71310178     14.24852749
  H      1.95252712      5.74666981     13.72954508
  O     -2.10327033      3.54289468     16.07432637
  H      3.26683094      0.62157881     13.05581211
  H      2.47099426      4.50378262     14.51399400
  O      0.39211275      6.80901244     13.76429851
  H      4.49064653      0.89458173     12.16742404
  H      4.41835917      3.53679746     10.35890100
  O      1.55129926      3.39398566      9.46710424
  H      2.32207510     -1.94772195     10.16231461
  H      5.05686338      3.71321359      8.95888159
  O      2.09309424      3.40801627     15.88675555
  H      2.14390861     -0.94417958     11.32155487
  H     -2.68079962      1.56133018     11.14932619
  O      2.59368632      5.02655270     13.70752155
  H      4.31696806      2.88318349     12.45662192
  H     -3.68333211      0.68740237     11.94540290
  O      4.33639497      3.29044570      9.41822143
  H      3.90885910      4.35951466     12.62223185
  H      1.00532971     -0.02371555     12.92243493
  O     -2.97950129      1.32141758     12.04706682
  H     -0.81153055      2.16849277     15.91015857
  H      1.91946831     -0.68729187     13.97858747
  O      1.81619895     -0.54416130     13.02737482
  H     -0.17929636      1.42299874     14.71682990
  H      0.14505932      4.09749102     12.09551442
  O      0.86858451      3.45791754     12.14719083
  H      0.01098044      4.27499541      9.18494171
  H      1.56325784      3.87857872     12.66812085
          69
 Energy    -249.19693008676734     
  O     -8.08121583     -2.20146155      7.10368302
  H     -7.20158806     -1.81961756      6.93385812
  H     -4.70479140     -0.25375928      1.26000196
  O    -10.28906032     -1.34722629      3.64912758
  H     -8.00928168     -2.69768999      7.91538210
  H     -7.04346065     -0.64708012      3.77466954
  O     -8.76496238     -3.45520639      4.61738580
  H     -9.42150056     -0.91406869      3.68110653
  H     -7.76619263      0.55959570      4.45255882
  O     -5.90333225      0.18819596     -0.02807478
  H    -10.89010490     -0.77558428      4.13950208
  H     -5.51185004     -1.41698331      5.58390086
  O     -4.95735472      1.65629097      6.33014011
  H     -8.51886460     -3.10830993      5.48307277
  H     -5.37343726     -0.22213379      6.54949982
  O    -10.72829612      1.40433624      0.78868861
  H     -9.44487936     -2.85354195      4.28307973
  H     -2.91582286      2.25280724      2.37120026
  O     -9.61660578      0.19891681      6.91087750
  H     -6.72071421      0.49526048      0.39634845
  H     -3.18152531      2.34015923      0.87162823
  O     -5.54111568     -1.72710239      3.80150275
  H     -5.45421881      0.99658547     -0.29835577
  H     -8.75407967      4.87540682      4.43001729
  O     -4.79900700      2.90710553     -0.04414758
  H     -4.27524288      2.09693113      6.82962385
  H     -9.19203853      3.52001632      3.82841359
  O    -11.64505460      0.59435751      5.18751210
  H     -4.73170664      1.76000166      5.38868320
  H    -10.68295467      2.16968930      2.52451341
  O     -7.74287709     -2.09816715      0.40489081
  H    -10.67644275      0.42966779      0.76935636
  H    -10.95728877      1.90637517      4.02268552
  O     -4.05954535     -0.32150606      1.97900674
  H    -11.26288104      1.66594141      0.04479057
  H     -7.64127915     -3.73605046      3.32843775
  O     -7.81353005     -0.06739169      3.71977065
  H     -9.16511704     -0.64889856      7.00187113
  H     -6.82620882     -4.71711471      2.45201580
  O     -5.66543659     -1.13799666      6.49884031
  H     -8.94093856      0.83501292      6.63816381
  H    -10.44771473     -1.40956187      1.81247181
  O     -2.55516002      1.98750773      1.51769533
  H     -5.92337761     -2.51331530      3.39005723
  H     -9.48685468     -1.55814113      0.61043392
  O     -8.41794596      4.04007934      4.11577088
  H     -4.91248138     -1.34132772      3.17613826
  H     -6.76498929      1.88240783      6.05318391
  O    -10.54222544      2.52603010      3.41000508
  H     -5.35668164      3.19139650      0.69745052
  H     -7.87338146      2.67479318      5.28257760
  O     -6.97126965     -3.79024213      2.62247318
  H     -4.84807340      3.60008673     -0.69903662
  H     -5.21398962      2.46351512      3.20240477
  O    -10.36521377     -1.24021095      0.86393895
  H    -10.96155298      0.45225213      5.86842012
  H     -4.47095033      1.10721764      3.15542179
  O     -7.68746622      1.86207250      5.76840891
  H    -12.48665277      0.58648746      5.63479677
  H     -7.99248035      0.76340934      2.16497701
  O     -4.55694744      1.92509800      3.66279730
  H     -7.00617033     -1.54115349      0.13630997
  H     -8.91471060      1.36780050      1.05966660
  O     -7.99882965      1.28302607      1.34622145
  H     -7.42310205     -2.66784517      1.11506936
  H     -7.03347992      3.79139535      2.82180919
  O     -6.46922976      3.35649275      2.17240240
  H     -3.33107374      0.26851568      1.74584428
  H     -7.01438647      2.63240238      1.82149067
          69
 Energy    -249.19658311402560     
  O     -5.76924158      2.07520701      0.23099738
  H     -5.74500219      2.67941157      0.98110587
  H     -4.32352782     -1.37761288      3.72037896
  O     -1.71432988      3.87660537     -3.58862740
  H     -4.84174937      1.85993854      0.04531482
  H     -1.09899010      2.87741689      1.82335029
  O     -2.64545946     -1.14198860      0.64095994
  H     -2.01173725      4.31631390     -4.38047730
  H      0.15107977      2.45053377      2.63390178
  O      0.15688909      0.57968957     -1.57239558
  H     -2.29391046      3.10493189     -3.47655031
  H     -2.27763845      2.90427057      0.12055862
  O     -3.20273493      1.59515988     -3.16200507
  H     -1.74119283     -0.91240325      0.89805210
  H     -1.03834986      3.70956076     -0.33411498
  O     -3.41135600     -2.07988084     -1.83323690
  H     -3.18545862     -1.16437007      1.44107880
  H      2.79145333      0.09548487      0.72782451
  O     -1.64980024     -0.74410114     -3.33087410
  H     -0.42302125      0.08476911     -2.16233521
  H      3.26054925     -0.81909918      1.88615415
  O      0.17207800      3.35117926     -1.67945353
  H     -0.05188443      0.32805149     -0.66195114
  H      2.15560918      2.96871598      1.51684062
  O     -0.18651353     -0.06644357      1.15390274
  H     -2.73932140      0.77185125     -3.36036156
  H      2.25603252      1.62164803      2.25003163
  O      2.88705622      0.82232538     -0.86555732
  H     -4.15122019      1.41366690     -3.06896809
  H     -5.99012659      0.18519875     -2.31465004
  O     -6.29274509     -0.59840813      0.88117734
  H     -4.37071282     -1.98214614     -1.84603100
  H     -5.98657125      1.57619997     -1.66077624
  O     -4.28281710     -0.91277097      2.88937299
  H     -3.13528164     -1.87704410     -0.92719789
  H     -3.97715030      2.34176734      3.07010908
  O     -0.79871882      2.29121242      2.53224483
  H     -1.36906922     -1.26771166     -4.07635582
  H     -2.50374127      1.85479350      3.17224351
  O     -1.73762814      3.68318226      0.32957593
  H     -2.28074507     -1.28845663     -2.82392176
  H     -6.25200703     -1.30109906     -0.70634445
  O      2.58093000     -0.20158395      1.63140565
  H     -0.40011937      3.64241959     -2.40372046
  H     -6.94805677     -2.14097946     -1.80233402
  O      1.93983206      2.52792121      2.34805282
  H      0.15115339      2.38210636     -1.68006399
  H     -3.11871427      1.45118552     -1.32638880
  O     -5.81158870      1.11748862     -2.49200171
  H     -0.44204298      0.72975688      1.64164234
  H     -2.99773613      0.54633128     -0.05106908
  O     -3.42188089      1.59621899      3.32527136
  H      0.73103851     -0.25368339      1.38560713
  H     -2.88454739      4.93621021      0.84928503
  O     -6.19260992     -1.58330947     -1.63728945
  H      2.02901043      0.65063652     -1.27696396
  H     -3.70629127      6.19062204      0.50888878
  O     -3.13721191      1.44955043     -0.36010654
  H      2.92093278      1.77743171     -0.72651889
  H     -5.71769975      4.15701197      3.13737433
  O     -3.60605975      5.50536072      1.16474889
  H     -5.69139149     -0.77790945      1.61260787
  H     -4.65262516      4.40811146      2.04615796
  O     -5.18361533      3.71820630      2.47990252
  H     -6.23460693      0.35386353      0.71955630
  H      1.68884035      3.61938296     -0.80039966
  O      2.50815539      3.59992475     -0.27714816
  H     -3.98830253     -0.00476372      3.08850140
  H      2.99731514      4.38646883     -0.50524299
          69
 Ord_Energy   -249.196503    
 O   -4.21528721       10.8117990       4.30793381    
 H   -4.57506609       10.2481756       3.60106516    
 H   -4.88727522       11.4578295       4.51262999    
 O   -6.26102877       6.72170496       2.28479195    
 H   -6.85695505       6.83506012       1.53542972    
 H   -5.77584171       7.55925751       2.36389732    
 O   -2.14488578       8.43449688       2.38908505    
 H   -1.94413722       9.37387371       2.27685404    
 H   -1.76923573       8.15992165       3.23353839    
 O   -7.52101183       7.30760193     -0.186560854    
 H   -8.36833000       7.18007040     -0.604133964    
 H   -6.87779856       6.77133799     -0.686009884    
 O   -3.19900560       4.70265245       3.63904595    
 H   -3.87757134       5.17446804       4.13504171    
 H   -3.52657866       4.63920164       2.73320889    
 O   -2.16441560       6.65930510      0.320666313    
 H   -1.25643826       6.46792173       5.69851995E-02
 H   -2.11096048       7.29794025       1.04789817    
 O   -4.82721186       9.02781773       2.33924580    
 H   -3.89813471       8.75187683       2.35431862    
 H   -5.05530882       9.25575638       1.42698908    
 O  -0.624474883       5.08665037       4.31432295    
 H  -0.344973117       4.34012175       4.83763981    
 H   -1.53930008       4.90353251       4.03410959    
 O   -3.59664559       7.98898983      -1.63754022    
 H   -3.04462194       8.71070004      -1.96396923    
 H   -3.06309843       7.51982260     -0.978704631    
 O   0.151025057       9.26391888     -0.692282319    
 H   0.356659234       8.33397865     -0.553968430    
 H   0.365020484       9.72500610      0.132479757    
 O   -5.56097984       9.41068554     -0.280512810    
 H   -4.89078140       8.92391300     -0.785439789    
 H   -6.35452938       8.86373901     -0.293103755    
 O   -4.28724718       5.03930712       1.04323685    
 H   -3.52181602       5.58176041      0.794257045    
 H   -4.94024229       5.62279654       1.45312679    
 O   -3.55468202       8.35813522       5.70867777    
 H   -4.20860958       7.71195650       5.41674757    
 H   -3.81434178       9.21280575       5.34429121    
 O    1.30012262       8.83650970       3.92807579    
 H    1.90634453       9.10513687       4.61404705    
 H   0.480182052       8.55913830       4.37150717    
 O   -5.52969790       5.92390203      -1.39298975    
 H   -4.87143469       6.56943989      -1.68340147    
 H   -5.10671139       5.40986824     -0.693467200    
 O   -5.32639313       6.23372221       4.82710648    
 H   -5.96545792       5.83917093       5.41673040    
 H   -5.77259064       6.34678555       3.97196078    
 O    1.12819958       6.38490677       2.45228791    
 H    1.30633724       7.21947145       2.90257740    
 H   0.557639003       5.87539244       3.04040551    
 O   -1.02261400       7.79275608       4.89863110    
 H   -1.87953603       7.97911739       5.31055546    
 H  -0.912359416       6.83503103       4.83526182    
 O   -2.06945252       11.2224932       2.35458899    
 H   -2.69424057       11.2666245       3.08519912    
 H   -2.56869102       11.3610201       1.53309774    
 O   0.576778054       10.5277586       1.72518897    
 H   0.865873754       9.99552536       2.47547936    
 H  -0.247680396       10.9532261       1.99584019    
 O   -3.44368124       11.3481941      -2.52400097E-02
 H   -4.28961563       10.9034157     -0.147147804    
 H   -2.88838840       11.0470343     -0.756551802    
 O   0.566631615       6.45733023     -0.185861945    
 H   0.818872154       6.41673422      0.754378915    
 H    1.17700267       5.89953518     -0.659836113    
 O   -1.91232848       10.1752186      -2.12559891    
 H   -1.57437611       10.6316767      -2.89080811    
 H   -1.13850141       9.85483742      -1.62462485    
          69
 Energy    -249.19649918334125     
  O     -1.04460676      3.70734348      2.80607459
  H     -0.49895234      2.95375884      3.06205755
  H     -0.80901836      8.49996030      0.82152098
  O     -2.70444461      5.84379912     -0.44470043
  H     -1.67706827      3.41946376      2.13303893
  H      2.08917320      2.06948263      0.61768570
  O      3.53718470      6.71648553      0.13509854
  H     -2.65091446      6.46283588      0.29416457
  H      0.75850709      1.39631093      0.22085914
  O      1.81407057      7.48625454      2.12085510
  H     -1.87383302      5.92941958     -0.93464198
  H     -0.06903368      4.37906130     -2.52948061
  O     -0.16585953      5.83412624     -1.54632530
  H      3.48968662      5.75493625      0.09322801
  H     -0.77916815      3.38372939     -3.49218694
  O      2.86222424      3.86374308      0.36771313
  H      2.96944234      7.05750009     -0.56746107
  H      1.78298574      8.74379819     -2.16020178
  O      0.52922732      5.19803101      1.00310120
  H      1.95467739      7.12302056      3.00239590
  H      0.99232662      8.38568997     -0.87888616
  O     -2.28520715      7.60406286      1.72145515
  H      2.57309210      7.26392061      1.56026608
  H     -2.73109428      1.53015138     -3.13682089
  O     -0.67585544      1.82295538     -0.82557726
  H      0.05581184      5.56820205     -0.63886985
  H     -2.04778229      0.99602969     -1.86824543
  O     -1.01981903      6.29355144      3.76654388
  H      0.39593583      6.59291793     -1.74542617
  H      2.11563445      3.07662849      3.41795144
  O     -2.63770225      3.25296162      0.60561928
  H      2.01055288      4.29129658      0.55219417
  H      2.96639350      3.82575676      2.37184736
  O      0.04711372      8.82085038      0.51970896
  H      2.88268637      3.65475625     -0.57915005
  H     -3.75342138      5.00548564     -1.76587607
  O      1.50469814      1.33472108      0.83410764
  H      0.85575563      6.00125231      1.42963158
  H     -4.50257735      3.66109649     -1.86555446
  O      0.01292792      3.51153831     -2.95667014
  H      0.01222639      4.70573298      1.65173024
  H     -2.81306725      3.27927937     -5.07010998
  O      1.54360214      8.01558695     -1.59334811
  H     -2.94379969      8.17081850      2.11633528
  H     -3.08142199      3.64802712     -3.59204495
  O     -2.84599478      0.90912062     -2.40674023
  H     -1.82286175      7.16879290      2.45886881
  H      1.05202547      1.45307667      2.48145351
  O      2.69573195      3.83895190      3.29658599
  H     -0.38695598      2.39027654     -1.55352333
  H      0.84063251      0.87974399      3.90586981
  O     -4.13197441      4.37781502     -2.39527059
  H     -1.30923981      2.33431555     -0.30343825
  H      3.16543425      2.64570884     -2.89093063
  O     -2.49077558      3.14663754     -4.18260248
  H     -0.12554319      6.35212582      4.11897573
  H      1.79251826      3.29019829     -2.64059682
  O      0.81035356      1.68512434      3.39747632
  H     -1.15033407      5.35480693      3.56635640
  H      2.23680760      6.19286860      5.37103485
  O      2.69663285      3.22678999     -2.29652764
  H     -2.66673647      4.16038391      0.26925582
  H      2.13853285      5.28057438      4.12729682
  O      1.80034262      6.10077034      4.52841772
  H     -3.42322835      2.80592156      0.26782634
  H     -5.50405422      1.49982746     -0.67320463
  O     -4.73842337      2.04784738     -0.82017776
  H      0.68226142      8.50533765      1.18201441
  H     -4.13307857      1.54279717     -1.39267762
          69
 Energy    -249.19594658662709     
  O     15.18894198     10.63662583     -9.37112785
  H     15.33250077     11.57663873     -9.55685563
  H     10.67332262      8.33959055     -9.94967865
  O     16.09942689     12.59808980    -14.07084211
  H     15.83102366     10.15577414     -9.91006215
  H     15.57413238      5.96201756    -10.39818761
  O     12.49973197     11.44554696    -13.27864921
  H     15.43452447     13.12831051    -13.61440046
  H     14.36093628      6.42666151    -11.23139850
  O     10.18525154      9.73467043    -13.11662567
  H     16.73165330     12.32793366    -13.39337672
  H     11.81504429      6.34637965     -9.36094433
  O     14.60523456     10.38668566    -14.71696719
  H     13.17010193     11.02138134    -13.83667348
  H     11.25524561      6.82400322     -8.00535748
  O     15.67906093     13.11937674    -10.41399169
  H     11.68665055     10.93142202    -13.34133954
  H     13.31604200     13.00136809    -12.84455123
  O     17.05997171      9.24193085    -11.00944434
  H      9.29315145      9.99296328    -13.33345257
  H     13.40869852     14.53879656    -12.74848390
  O     14.39447965      4.65743875    -13.52480115
  H     10.18351730      9.48051555    -12.17501699
  H     15.82736413      7.38919824     -8.85762839
  O     17.77649926     11.79115513    -11.86729105
  H     15.08780862      9.70170144    -14.23392442
  H     17.18287333      6.71264990     -8.54014721
  O     13.54695164      7.87106471    -11.92704333
  H     15.15431504     11.18223874    -14.66353531
  H     11.88185679      4.83967614    -11.25252502
  O     11.54991990      4.79354576    -13.14706279
  H     15.04199325     13.39721837    -11.08320284
  H     13.17107350      5.00770840    -10.43213282
  O     10.44217081      9.09337831    -10.50350512
  H     16.45403869     12.80896563    -10.89983812
  H     16.17076902      5.85078661    -15.85011381
  O     14.85716928      5.63935636    -10.95303933
  H     17.07915572      8.47991808    -10.41734892
  H     15.17206653      5.67634091    -14.67994126
  O     11.65674422      7.13507781     -8.81365509
  H     16.71983296      8.92015734    -11.85838998
  H     14.13336746      7.46433925    -15.76534650
  O     13.90073597     13.73538986    -12.59598250
  H     14.68891495      4.87173138    -12.62841213
  H     13.76338949      8.95498525    -15.63161205
  O     16.65093940      7.04997630     -9.25602790
  H     13.43495848      4.57996658    -13.47189653
  H     12.16428809      7.64254474    -14.63950225
  O     12.20850908      4.95685671    -10.35274012
  H     17.61062599     10.88767892    -11.55449024
  H     11.02574821      8.18612637    -13.71082721
  O     15.59715970      6.33303728    -15.26127306
  H     18.71858805     11.93091270    -11.80247992
  H     13.44191821      7.89202854     -8.50235770
  O     13.39252189      8.08157137    -15.81467585
  H     12.84860730      7.68398756    -12.56691257
  H     14.47373661      9.06244702     -8.50534170
  O     11.59037881      7.42483895    -13.88737309
  H     13.28773177      8.65881943    -11.43357078
  H     15.03859094      8.15344882    -12.82548244
  O     14.35846787      8.12269706     -8.31414667
  H     11.47805250      5.71753924    -13.44116421
  H     15.94132430      7.64396121    -13.97990314
  O     15.86291829      8.33072132    -13.30661546
  H     10.85996599      4.30911492    -13.59345893
  H     12.84879136     10.81957845    -11.58166391
  O     12.85856774     10.31566406    -10.75853333
  H     11.22984256      9.65864559    -10.46278315
  H     13.65976535     10.53596511    -10.26741646
          69
 Energy    -249.19564613460153     
  O     17.37008303     10.32967625     -9.89121330
  H     17.68436499     10.99319130     -9.26267954
  H     13.49780908      7.07087504     -6.33693524
  O     18.24836838     12.08725359     -7.92041431
  H     18.08054170      9.69257800    -10.04686413
  H     18.32581871      6.64508740    -12.88036645
  O     12.78071006      6.23989962     -7.91135085
  H     18.67766979     12.93830449     -7.94496851
  H     17.79758465      5.72722367    -11.75727733
  O     15.01493431     10.17804526    -11.32034336
  H     18.83299552     11.48951028     -7.41820492
  H     14.33343595      6.09997013     -8.95983683
  O     19.15121324      8.23074769    -10.30258656
  H     12.09119198      5.58707320     -7.81943275
  H     14.66069351      6.67166670    -10.36873068
  O     20.57170603      8.06100010     -7.94868397
  H     12.43469554      6.93009732     -8.50528458
  H     18.22080220      8.81347235    -13.25116985
  O     17.76238302      5.85752701     -9.88092205
  H     14.31923075     10.49411663    -10.73073277
  H     19.67380955      8.70578638    -13.77204428
  O     12.03992969      8.12285543     -9.73137465
  H     15.85092708     10.29909572    -10.84558971
  H     17.43162963      8.74752963     -4.92742078
  O     16.25163052     11.55041098     -5.87464090
  H     19.26570054      8.32556853    -11.25703684
  H     17.88630145      9.37889914     -3.59167282
  O     13.01251842     10.80249165     -9.37399870
  H     18.62648232      7.42839444    -10.15657063
  H     16.10688859      8.47760736    -13.80645848
  O     14.21413127     10.10890067     -7.02731936
  H     20.14508065      8.16309406     -8.81574220
  H     16.00986443      9.73322597    -12.91357071
  O     13.91187105      7.58759916     -5.63449785
  H     21.47293994      7.79485123     -8.11681733
  H     16.52782024      9.11895682     -8.84776808
  O     17.73762017      5.90059793    -12.70613646
  H     16.79861321      5.88616612     -9.79885362
  H     15.74359562      7.75959291     -8.78591373
  O     15.05305543      6.27038718     -9.57999109
  H     18.10574923      5.74831648     -8.98187629
  H     20.04139233      9.53404404     -6.93709730
  O     19.09512641      8.42415292    -13.06888791
  H     12.23769224      9.05399456     -9.57706588
  H     19.15575659     10.02385787     -5.76043766
  O     17.83728785      9.53720387     -4.53083746
  H     12.53301377      7.88616053    -10.52878596
  H     14.34524809      7.24734694    -12.52547082
  O     16.56846433      9.29049289    -13.56369534
  H     16.75556426     10.93498494     -5.32790738
  H     14.34577003      8.50835425    -11.61490237
  O     16.07176668      8.50238738     -8.26406837
  H     16.85399324     11.82897820     -6.57429469
  H     19.35779630      6.65802966     -7.33663462
  O     19.69576500     10.32371626     -6.50333527
  H     12.46435791     11.57739548     -9.27843792
  H     18.01210371      6.33477072     -6.65635732
  O     13.96247128      7.62536117    -11.72455880
  H     13.39839070     10.62378022     -8.49872258
  H     16.61581002      7.82763668     -6.71530934
  O     18.66695977      5.98782664     -7.27535381
  H     14.79862216     10.71437037     -6.54880562
  H     15.74632564      7.32718894     -5.56522404
  O     16.67077223      7.43600521     -5.82895672
  H     14.80776467      9.48012768     -7.46695303
  H     16.22627472      6.31252126    -13.47851246
  O     15.42989461      6.68091281    -13.90187823
  H     13.84692754      8.50586367     -5.92533027
  H     15.24641412      6.13996088    -14.66487566
          69
 Energy    -249.19559964450204     
  O     12.33359463      9.58022176    -12.51759713
  H     13.17091551      9.58363348    -12.03014447
  H     15.44022359      5.94094413    -17.78233667
  O     14.18842625      6.65892900    -14.90035849
  H     12.43836054     10.20743525    -13.24808780
  H     17.17831865      7.39859363    -16.56360847
  O     17.18056188     10.08783327    -10.37982935
  H     13.27958419      6.98021172    -14.84512934
  H     18.03013196      7.19026139    -15.29370580
  O     15.27158255     11.37802499    -16.24762547
  H     14.74285478      7.30695630    -14.43489879
  H     13.63973961     11.21360513    -15.16513101
  O     11.63147903      7.65617563    -14.44163530
  H     17.63368220      9.34945619     -9.95270263
  H     12.31666039     10.52782726    -15.52902316
  O     16.54523005      5.92351388     -9.77538048
  H     17.74498940     10.35284609    -11.11616552
  H     15.42610135      8.72037605    -12.68945451
  O     14.06330681      5.06337061    -12.59704186
  H     15.30309710     12.15248321    -16.80401151
  H     16.26560412      9.05778168    -13.96523901
  O     14.70431422      9.28984108    -11.15638721
  H     14.96904621     10.64156918    -16.81019952
  H     10.61141273      8.12065202    -10.13854670
  O     14.31136260      9.29929585    -17.67468414
  H     11.88525944      8.32819835    -13.79258855
  H     11.54400015      8.46243356    -11.32057810
  O     16.75789799      4.34742910    -12.17227539
  H     11.34969171      6.87928186    -13.93809148
  H     19.32962700      7.81947291    -11.05652971
  O     17.38844112     10.17708389    -14.88466553
  H     15.61817739      6.19293354     -9.79680051
  H     19.47967119      8.81836441    -12.21827208
  O     15.51904942      6.74613231    -17.27700009
  H     16.66284689      5.31769647    -10.51648714
  H     11.13935512      6.21596563    -11.90422461
  O     17.91827865      7.76306029    -16.06326758
  H     14.12731270      5.53108060    -13.44132334
  H     12.11265659      5.22247880    -12.57222500
  O     12.76058826     11.01404286    -14.82399632
  H     14.92823619      4.66177806    -12.44717717
  H     18.37766901     10.50578407    -13.45274049
  O     15.76765748      8.36243437    -13.51802004
  H     15.53163767      9.64357753    -10.79675471
  H     19.48510570     11.32864876    -12.76061853
  O     11.27837052      7.75232448    -10.71276843
  H     14.53937855      8.42405957    -10.75902507
  H     17.07732499      7.10297272    -13.43360302
  O     19.61352494      7.89341466    -11.97697462
  H     13.38246726      9.16765674    -17.44524548
  H     18.54474224      6.89759998    -12.98289568
  O     11.23412302      5.61503060    -12.65432838
  H     14.73357392      8.43276703    -17.64220298
  H     17.79109496      7.09538193     -9.48168995
  O     18.88704880     10.59675955    -12.63030768
  H     17.28220491      3.55976948    -12.29056759
  H     18.87557675      7.61992362     -8.51319222
  O     17.82190912      6.48596871    -13.48175950
  H     17.18895849      5.05336368    -12.68552431
  H     11.53877430      8.54728972    -15.96803168
  O     18.48190651      7.77202671     -9.36805749
  H     16.71399844     10.66432888    -15.37429249
  H     10.78116338      9.17027376    -17.16188343
  O     11.63166628      9.14303594    -16.73073757
  H     17.65497904      9.40447047    -15.40891411
  H     12.98948596      7.01920478    -10.28370804
  O     13.90848683      6.73685029    -10.35943536
  H     15.02435293      6.61051985    -16.45032078
  H     13.95249911      6.16739039    -11.14222802
          69
 Energy    -249.19530365676445     
  O      0.98633323      0.58813181      2.47865497
  H      1.48998713      0.42558907      1.67030959
  H     -3.80824221      4.42411754      0.69224622
  O     -2.89500724     -0.31912427     -3.49201890
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  H     -0.43259611      2.05292934      5.09931901
  O      0.35906080     -0.95643009      4.72102709
  H     -2.56802880     -1.21918443     -3.36969937
  H     -0.96033797      1.90383669      6.54248574
  O     -4.57791699     -0.41446333     -1.29315284
  H     -2.18206955      0.25637894     -3.18628824
  H     -0.17509541      3.54430367      2.23179922
  O     -1.97314922     -2.91253967     -2.60891894
  H      0.74209597     -0.51779459      3.94801990
  H     -1.40905844      3.83632155      1.34890040
  O      0.07653919     -1.49423204     -1.19606422
  H     -0.09748219     -0.26121348      5.20582285
  H     -3.57169927      0.90161088     -0.57431738
  O     -4.74878657      1.98238635      2.94012626
  H     -4.16265085     -0.31438553     -2.16204270
  H     -2.15985187      1.43474547     -0.92105420
  O     -3.51958069     -2.39941383      3.88336383
  H     -4.21803719     -1.23158314     -0.92234671
  H     -2.22296934      0.29214176      2.68094850
  O      0.66544346      2.87666680      3.86994379
  H     -2.04170775     -3.75546090     -3.05089864
  H     -2.13838212      0.74443749      1.18109212
  O     -0.82008476      1.02791140     -2.04049353
  H     -2.54701139     -2.96297138     -1.82661425
  H     -2.61046721     -2.66233327      0.27425845
  O     -3.10647004      0.31534182      4.26893115
  H     -0.43814973     -2.01936406     -1.82032342
  H     -4.12768539     -2.90447790      0.41424831
  O     -3.29297232      3.77101376      1.16031321
  H     -0.20781383     -1.79719101     -0.32103662
  H      1.54354052     -0.39081019     -0.51402675
  O     -0.94862620      1.47993596      5.68730079
  H     -5.17099610      1.36025940      2.32688969
  H      1.76953424      1.13073606     -0.35440710
  O     -0.44760053      3.75227296      1.33207405
  H     -4.32206634      2.66066523      2.40726928
  H      1.43985085      3.55036098     -1.17417954
  O     -2.89053990      1.52703010     -0.29488466
  H     -2.63041011     -2.76885163      3.91227293
  H      0.45910148      3.15017128     -0.04898445
  O     -1.67419025      0.27760993      1.88576259
  H     -3.43112979     -1.46285259      4.11239362
  H     -0.35760146     -2.45605406      4.19161881
  O     -3.42364232     -2.78784926     -0.23705527
  H      0.89270852      2.07472929      3.36397724
  H     -0.37059935     -4.00152143      4.23155979
  O      2.04879569      0.26774008     -0.02190405
  H      1.48592574      3.32927020      4.05110315
  H     -1.34382142     -1.38520978      1.44188449
  O      0.95587150      2.81150947     -0.81413752
  H     -0.48401697      0.17127616     -1.73902615
  H     -0.91701739     -2.75851960      2.00984748
  O     -0.77728478     -3.24846352      3.81167612
  H     -0.18343756      1.69463991     -1.75408743
  H     -5.98361094     -3.31490304      2.17437528
  O     -1.09868571     -2.28927152      1.18807083
  H     -3.74376652      0.96076543      3.92052388
  H     -4.64958094     -2.66826643      2.61836268
  O     -5.26397709     -2.76953450      1.86830238
  H     -2.47452288      0.77443431      4.83217541
  H     -5.67197905     -0.89142541      1.54932377
  O     -5.75936488      0.01821477      1.24143862
  H     -3.21197401      3.00224481      0.56735931
  H     -5.56742639     -0.02364930      0.29669632
          69
 Energy    -249.19480204976799     
  O     17.21097795      9.11891520    -13.51336170
  H     16.44843508      8.99794362    -14.09145886
  H     16.70607057      6.57399620    -16.99122178
  O     20.93599661      5.75891968    -13.64858496
  H     17.92892046      8.60867074    -13.91492574
  H     17.25121604      2.40711397    -11.37255144
  O     14.74841864      3.94370518    -16.30549569
  H     20.53291576      5.40625916    -12.84432007
  H     18.17865846      1.30367284    -10.82432986
  O     19.50864542      4.28384978    -17.15643242
  H     21.15353927      4.98488270    -14.18264670
  H     13.36876342      7.24830494     -9.76825451
  O     13.82404998      4.10520942     -9.24482140
  H     14.09573368      3.74397554    -16.97003122
  H     13.10054474      5.74318288     -9.94530374
  O     16.08869853      7.92122503    -11.35402868
  H     15.09971632      4.83137281    -16.50957409
  H     18.73357719      5.03752265    -11.02117141
  O     19.26737507      1.82011317    -14.13584559
  H     18.74134988      3.79808628    -16.82341344
  H     19.11503470      3.62969854    -11.53763810
  O     17.26903342      5.70006212    -10.18979384
  H     20.23689776      4.03028541    -16.57715584
  H     15.90144518      4.81697137    -13.63322597
  O     18.54509452      6.78599139    -17.43881735
  H     14.47108057      3.78817344     -9.89462228
  H     14.73873396      4.19640764    -14.44429326
  O     17.60560811      5.17070935    -13.80614982
  H     13.33607433      3.34087788     -8.94773935
  H     19.78276725      6.91142662    -14.39836223
  O     21.30137501      3.35238866    -15.13717384
  H     16.59865277      8.42577639    -12.00420280
  H     18.96181544      7.27381786    -15.68741606
  O     15.79880605      6.39093408    -16.72026139
  H     15.33709413      7.54935364    -11.83454740
  H     14.19332820      6.03635087    -13.09117314
  O     18.10922967      1.97333870    -11.50120142
  H     18.55387980      2.09074355    -14.73117011
  H     13.40157743      6.83444755    -12.00958795
  O     12.88696895      6.61069522    -10.30991207
  H     18.87634467      1.77497853    -13.25678410
  H     16.32415735      4.28690196    -10.81516017
  O     19.31168541      4.56769232    -11.64107156
  H     16.88867151      5.72541982     -9.30056704
  H     15.42601842      3.75356414    -11.97532538
  O     14.98550826      4.49792976    -13.56239571
  H     16.95674749      6.49240611    -10.64860955
  H     16.48403830      3.22590631    -16.01775055
  O     19.00652004      7.38890492    -14.73075149
  H     18.87277248      7.19067081    -18.23741642
  H     17.53300895      3.86097165    -15.08159016
  O     13.90907547      6.92378628    -12.82953588
  H     18.93169516      5.89238877    -17.39674618
  H     15.01767266      5.24240704     -8.19577088
  O     15.80710624      3.52259088    -11.11580578
  H     18.20303422      4.90719411    -13.09549015
  H     15.36775203      6.73912382     -8.11251541
  O     17.39742016      3.14582960    -15.72319777
  H     17.96828544      5.98542539    -14.17628797
  H     14.76495266      9.24192994     -8.68254239
  O     15.71218811      5.85559479     -7.92565292
  H     22.09450341      2.83145454    -15.23282654
  H     15.29068537      8.30526158     -9.79344756
  O     14.75674637      8.33625202     -8.98116443
  H     20.63295246      2.76973254    -14.73586206
  H     14.41389315      7.92698941    -14.22118079
  O     14.81019902      8.40914306    -14.96631284
  H     15.51153654      7.12362971    -16.16178521
  H     14.17285790      9.06848615    -15.23150122
          69
 Energy    -249.19450870513856     
  O     18.24366254     15.76583303    -17.13702791
  H     19.16611782     15.71599938    -17.41787738
  H     17.72977573     12.01340360     -8.66704118
  O     21.60342111     11.29254408    -15.10969246
  H     18.24312009     16.24948669    -16.30059241
  H     19.20997626     18.33570221    -11.76433670
  O     18.31464623     14.87921466    -10.56944602
  H     21.24258402     10.67595326    -14.46460834
  H     18.89140503     19.67424286    -12.47238937
  O     14.90827223     13.06674839    -13.53730523
  H     21.78671055     12.09904086    -14.60555433
  H     20.08742153     14.42576388    -10.87977904
  O     20.10723256     11.50306539    -10.67610666
  H     18.04603059     14.06309269    -10.13004629
  H     21.53414401     14.94822328    -10.73263494
  O     16.14570747     11.25642920    -11.63872846
  H     17.81679658     14.92843575    -11.39749444
  H     17.20890578     10.59705862    -12.86999195
  O     20.53825218     12.61158551    -17.32279816
  H     15.20184088     12.51542810    -14.27961711
  H     17.18309225     10.57298494    -14.41450878
  O     21.12153521     16.01134920    -14.96963599
  H     13.97280104     13.21242437    -13.65988427
  H     20.92880138     14.28352961    -17.56590379
  O     19.43302577     17.43230882    -10.28720475
  H     20.60728017     12.32361370    -10.77896980
  H     21.57028398     15.39774519    -18.42672722
  O     21.54128261     13.63413064    -13.63089049
  H     20.30078885     10.94716397    -11.43855192
  H     21.78585089     17.19165167    -13.70075032
  O     15.91437376     11.46777630    -15.63218869
  H     15.65549737     11.94919228    -12.09580298
  H     21.04101066     18.26920606    -12.89691216
  O     17.77456815     12.30236879     -9.57480532
  H     16.60715389     11.66974548    -10.89796289
  H     17.90797296     16.18138859    -13.98757255
  O     19.19288909     18.78349324    -12.62934338
  H     20.93068442     12.07292408    -16.62039391
  H     18.64553659     17.54369696    -13.90392168
  O     21.01599905     14.16951084    -10.97162580
  H     19.58555840     12.60687707    -17.17631167
  H     22.16954625     17.05987762    -11.38782039
  O     17.75123971     10.41194752    -13.65437044
  H     20.19489320     16.23853553    -14.80533747
  H     22.99248010     16.98745857    -10.07915068
  O     21.03918438     15.24839038    -17.64970334
  H     21.20071310     15.81408171    -15.91152553
  H     19.39792120      9.85553429    -13.25341875
  O     21.87481900     17.78569200    -12.94318009
  H     18.96275154     16.58759849    -10.26749687
  H     20.48713870      8.83470690    -12.85718381
  O     18.47227371     16.79035516    -14.48281870
  H     20.36907261     17.21739945    -10.19369518
  H     18.61846719     12.09143165    -13.74051440
  O     22.20168100     16.66095363    -10.49918292
  H     21.45963667     13.82952343    -12.68822546
  H     19.80642773     13.11504242    -13.85928770
  O     20.32731837      9.76750145    -12.98326699
  H     21.48656107     14.47527855    -14.10588386
  H     18.26843381     13.13305111    -15.63703315
  O     18.85103566     13.00483766    -13.94240826
  H     15.50108163     10.97131569    -16.33363961
  H     17.84984802     14.04628851    -16.81785266
  O     17.83400976     13.13075435    -16.50358888
  H     16.55805735     12.06722704    -16.05247508
  H     16.23245159     14.39832881    -13.19800988
  O     17.07891018     14.83295689    -13.05025883
  H     18.60515385     11.94717399     -9.94239429
  H     17.75341122     14.19482704    -13.33960679
          69
 Energy    -249.19437706614201     
  O     12.29188481     10.60723708     -9.83776143
  H     11.80753957     10.59974388     -9.01678505
  H     10.75517183      9.28023850    -14.97349699
  O     15.48344223     11.27240043    -13.20394481
  H     13.07367937     11.17278489     -9.69958420
  H     14.05735879     12.57060638    -16.06029252
  O     16.71632028     13.69233470    -16.12076785
  H     14.81521190     11.95589936    -13.07063647
  H     12.98277701     13.67327484    -15.99522248
  O     15.98545183      7.71042327    -11.35173605
  H     16.29322026     11.70589775    -13.50881427
  H     15.93176284     11.03257208    -17.36474086
  O     11.64215052     11.55506478    -12.40372745
  H     16.83888787     12.92101117    -16.68859477
  H     17.05878890     11.02758602    -18.42308907
  O     11.16253578     13.65545010    -16.41350871
  H     15.76234966     13.80517903    -16.02717668
  H     15.51999856     15.31521522    -10.70396899
  O     14.26059538     10.89521673    -16.85696343
  H     16.10013350      7.01882623    -10.70466262
  H     16.23331908     14.01147397    -11.12871878
  O     16.48842484     10.48286909    -10.75208445
  H     15.03875226      7.94312472    -11.34169111
  H     17.78814859      9.29880864    -14.82693988
  O     13.64817271     13.33056955    -12.96623430
  H     12.31717989     12.23011745    -12.57032755
  H     17.79220911     10.31107321    -16.00511875
  O     14.59395182      9.21236601    -14.70426865
  H     11.74334090     11.27498478    -11.48627930
  H     17.51876586     12.16432076    -10.90299333
  O     14.51834590     12.08937771     -9.58570992
  H     10.68706868     13.19617024    -15.69800610
  H     17.90434581     12.94218446    -12.17509594
  O     10.09299625      9.52977882    -15.64026375
  H     10.58773873     14.34994274    -16.72378502
  H     12.90343009      9.11353877    -14.12820128
  O     13.88530532     13.46159027    -15.72369696
  H     14.33205854     10.23298561    -16.15572287
  H     11.91469159      9.99217212    -13.29315343
  O     16.89001297     11.14167156    -17.49107516
  H     13.35519174     10.87309369    -17.19902705
  H     16.61943531      7.72262544    -13.07750939
  O     15.36360313     14.44548737    -11.06176477
  H     16.48868514      9.52199709    -10.77925604
  H     17.27012486      6.88252152    -14.19650809
  O     18.23887931     10.07153477    -15.18218442
  H     16.11363115     10.75372100    -11.60586078
  H     11.40900371     11.94553512    -17.29714134
  O     17.68307917     13.05362879    -11.23793939
  H     14.21731414     13.87544350    -12.40759036
  H     11.06593741     10.47523930    -16.98472663
  O     12.02121112      9.13233827    -13.72873126
  H     13.78697697     13.54394758    -13.90020923
  H     13.02271706      9.08843606    -10.71652412
  O     16.85860647      7.72510381    -14.01802077
  H     14.89380126      9.95589863    -14.15372295
  H     12.84693963      8.45870858    -12.10641856
  O     11.62396989     11.03587069    -17.53808767
  H     15.28410698      8.54487841    -14.63195099
  H     18.18026492     11.65719690    -14.32123987
  O     13.36221709      8.39364979    -11.29407401
  H     15.24172771     11.50239241     -9.84813494
  H     17.55785422     13.04729618    -14.66142471
  O     17.87424004     12.49118535    -13.93487547
  H     14.71441559     12.94593319     -9.97974265
  H      9.79727899     11.28677120    -14.90876896
  O      9.90969662     12.16464148    -14.52400887
  H      9.48703095      8.79709085    -15.71341052
  H     10.40001186     12.02776650    -13.70202762
          69
 Energy    -249.19421007183433     
  O     13.69141930      4.42552272    -10.35152128
  H     13.84765417      5.14113006     -9.72394735
  H     12.76459933      8.63650797    -14.78456316
  O     17.59308451      9.57647819    -13.66810752
  H     14.54546585      4.23459707    -10.75949630
  H     16.44044768      9.85281911    -10.69513600
  O     15.75808736     11.47203448    -10.41283274
  H     18.47137223      9.18753665    -13.56059280
  H     17.11748602      9.19188363    -11.93338907
  O     11.21093979      7.61053228    -14.68061740
  H     17.06849094      8.95903764    -14.19773023
  H     13.68636459      8.12411982    -11.46635987
  O     18.59648974      4.19467871    -13.08200810
  H     15.98288569     11.82740671    -11.28248712
  H     15.17828096      8.39547679    -11.77848787
  O     12.32695162      5.17220286    -14.33916429
  H     14.79452788     11.42477624    -10.38454462
  H     10.81907816      3.81459597    -11.44646130
  O     16.83953882      6.56068013     -9.87759790
  H     10.48062881      7.57207098    -15.29235380
  H     12.20794621      4.46055279    -11.24088232
  O     12.89949283     11.17805926    -10.68226540
  H     11.59337784      6.71453272    -14.64369880
  H     19.73610436      7.53737708    -12.46221006
  O     18.52597969      6.25058295    -14.88050056
  H     19.08507244      3.46392795    -13.45144250
  H     20.85426292      8.33387521    -13.17487583
  O     16.41771438     12.03781061    -13.17173706
  H     18.52202142      4.86491232    -13.78402251
  H     14.65669513      6.52251246    -13.00235554
  O     13.61437750     11.50341725    -13.28228845
  H     13.27434687      5.28356270    -14.18019291
  H     15.40630519      5.17831534    -12.93061002
  O     13.62071731      9.05466677    -14.62811857
  H     11.96446913      4.83117387    -13.51147046
  H     15.27877802      8.25966216    -15.24928818
  O     16.72806509      9.00734636    -11.06996696
  H     16.86921471      7.44534497    -10.27523878
  H     15.76335188      6.94748931    -14.63024773
  O     14.35670618      8.05556060    -12.15490434
  H     16.03825792      6.55472899     -9.34127689
  H     19.16673329      5.50153511    -11.80018734
  O     11.37598952      4.52949883    -11.74250076
  H     12.28898827     11.87370126    -10.45051314
  H     18.60427260      6.36904872    -10.65547709
  O     19.92341574      8.13112980    -13.21154121
  H     13.08494345     11.27866065    -11.63343686
  H     10.98802349      6.37473235    -11.74748709
  O     14.94408901      5.76651272    -13.53864439
  H     19.08750416      6.90645017    -14.44873667
  H     10.94804967      7.55214658    -12.73873463
  O     16.07318236      7.72663586    -15.11847430
  H     17.73398492      6.72452391    -15.16067017
  H     17.05828393      4.14834681    -12.02950413
  O     19.32805492      6.30548684    -11.28980657
  H     16.91439922     12.74132971    -13.58264688
  H     16.50113753      5.12071903    -10.95742397
  O     10.90773592      7.33636022    -11.80023009
  H     16.86632809     11.20899457    -13.40571715
  H     14.04230429      6.70624387     -7.73109786
  O     16.26687024      4.36950896    -11.52342947
  H     13.53053379     10.74273060    -13.87256690
  H     13.66166607      7.33671411     -9.08673185
  O     14.23788024      6.67742507     -8.66489747
  H     14.54152472     11.76717297    -13.32564899
  H     11.89689055      8.10172998    -10.56621893
  O     12.61407767      8.45366497    -10.01305329
  H     13.89576378      8.75490150    -13.74639415
  H     12.66332944      9.40764248    -10.15667909
          69
 Energy    -249.19376684735118     
  O     10.29030711     12.11069387    -11.24393160
  H     10.47490837     11.26732794    -10.81715283
  H     15.83605699     10.74991396    -12.12253787
  O     13.78722701      9.44425750    -18.01418391
  H     10.33935705     11.96301199    -12.19772751
  H     15.45757958      8.43020381    -14.05138853
  O     12.60610248      8.52179709    -11.61841202
  H     13.74054730     10.41620012    -17.94908784
  H     16.43891794      8.91923925    -12.98964716
  O     14.56614385      9.51464112    -15.30599759
  H     14.19627915      9.24105932    -18.85049768
  H     13.00479453     14.69238672    -10.89048932
  O     13.22381800     11.79731915     -9.17549551
  H     12.09686657      8.86161839    -10.87097285
  H     13.50745538     14.31356761    -12.28778023
  O     13.56708610     12.10361089    -17.53524060
  H     13.36311063      8.03026028    -11.27251593
  H     15.27380666      6.45237897    -10.67426525
  O     12.02042579      9.20957345    -14.22525948
  H     14.39984106      9.35422302    -16.24329161
  H     15.37529756      7.55111217    -11.75747698
  O     14.04898725     10.95493515    -11.75304598
  H     14.84416885     10.43784725    -15.22730282
  H     16.93444881     13.38128967    -12.63014731
  O     11.28186397      9.90264700     -9.58302215
  H     12.77034472     12.64288988     -9.29668162
  H     18.07643468     13.58253674    -13.65334692
  O     16.25012878     13.79104092    -11.09512161
  H     14.12954720     11.96713990     -8.88534259
  H     10.59172005     11.92370093    -14.91245901
  O     13.15673181     12.91879289    -13.45549503
  H     14.15571468     12.29488338    -16.79248571
  H     11.14468119     10.78457430    -14.02877314
  O     16.77786373     10.57470917    -12.27908830
  H     12.66520413     12.26068882    -17.23139493
  H     16.51429338     12.26496351     -7.99328656
  O     15.95795950      8.13147064    -13.28198692
  H     12.91548683      9.33008813    -14.57502352
  H     16.17061759     11.14961239     -9.00820766
  O     13.73571423     14.83123533    -11.50271636
  H     12.11834742      8.81654767    -13.34861278
  H     15.95837905     12.55868713    -14.74388159
  O     15.02976261      7.35410418    -10.86632736
  H     13.83050925     11.29683214    -10.87700053
  H     14.42089558     12.58679181    -14.63928414
  O     17.30066839     13.05823427    -13.47480183
  H     13.58914655     10.11089465    -11.84020150
  H     10.81489571     11.08723446    -16.89469800
  O     10.73433258     11.66232415    -13.99453502
  H     11.98197019     10.52915806     -9.33100153
  H     10.09105769     12.35741548    -17.40196812
  O     15.94112579     12.05314347     -8.72553997
  H     10.81602769      9.67286118     -8.78279745
  H     16.83196400      9.92063685    -10.57080802
  O     15.15430817     12.27285504    -15.19126988
  H     16.19294038     13.23519746    -10.31279599
  H     15.99864002      8.81945237     -9.90816018
  O     10.75253921     12.05369348    -16.78549344
  H     15.39444962     14.23869168    -11.18315268
  H     11.08370967     13.39012983    -10.36338225
  O     16.53581739      9.59301759     -9.70790194
  H     13.50130390     12.25088214    -12.84185881
  H     10.98537057     14.55793785     -9.35241752
  O     11.60608071     13.98776262     -9.79769628
  H     12.26814591     12.62496853    -13.68821883
  H     11.98827071      9.23185603    -17.37336897
  O     11.14947156      9.35993873    -16.91233629
  H     17.12597254     11.35492560    -12.72306453
  H     11.31778510      9.13261516    -15.98764700
          69
 Energy    -249.19364658054565     
  O     14.74675975      5.62738720     -9.22310321
  H     15.03007097      5.10870523     -9.98704665
  H     12.31242401      9.89779135    -13.17495166
  O     13.45254059      8.85610869    -16.18470419
  H     15.46519285      6.24733468     -9.05105208
  H     17.53076833      9.53764740    -13.68082523
  O     17.04185060      6.93280199    -15.48795948
  H     13.28861428      9.27834539    -15.32416169
  H     17.34074673      8.06086574    -14.11219533
  O     11.00920832      9.42562931    -11.94038404
  H     12.75832587      9.14885368    -16.77000781
  H     15.01077585      8.92921545    -11.31035290
  O     16.54368707      2.87622910    -13.73201322
  H     16.12586713      6.62519712    -15.48142611
  H     15.82776072      8.63595644    -12.60429262
  O     11.32477479      6.74895688    -11.69428693
  H     17.58185865      6.23509209    -15.08880484
  H     11.79366919      6.02692420     -8.25400159
  O     17.79196732      6.52092082    -11.53804831
  H     11.05956937      8.45265202    -11.90506297
  H     13.09635916      6.14831498     -9.07516002
  O     15.68466384     12.11794119    -10.57005846
  H     10.08557467      9.65488757    -11.88017646
  H     18.39387497      5.45791733    -13.08910968
  O     15.06775915      3.61951339    -15.91181420
  H     16.69893236      1.93556592    -13.75664628
  H     17.87569692      4.25243758    -13.89808683
  O     17.26340210     11.08916233    -14.73580082
  H     16.00267206      3.09283295    -14.51065327
  H     14.40183920      5.51802972    -12.40207104
  O     15.03615214     12.04767382    -13.23563276
  H     12.11168059      6.45262197    -12.17174716
  H     14.17769236      7.03942033    -12.54945211
  O     13.11769090      9.96478333    -13.70306122
  H     11.50915488      6.56578364    -10.76396474
  H     15.28774642      9.27013109    -16.54486865
  O     17.45546860      8.63813894    -13.34176062
  H     17.77543967      7.30220544    -12.10866871
  H     16.63182442      8.53259316    -16.38354043
  O     14.94474360      8.59700377    -12.21398012
  H     17.59642671      6.83996816    -10.64792187
  H     13.94281598      7.06964746    -15.82355951
  O     12.18033058      6.47088570     -9.00387415
  H     15.45030045     12.13124274    -11.51311314
  H     14.06643223      6.18580516    -14.55281803
  O     18.39018957      5.06550369    -13.97073918
  H     15.60550731     13.01897480    -10.26838151
  H     12.36723853      8.33406030     -9.23252649
  O     13.82235219      6.17513885    -12.80820103
  H     14.72472923      4.52397532    -15.83661762
  H     12.03148932      9.43882111    -10.25415147
  O     16.24336955      9.39424198    -16.58925475
  H     15.09756339      3.42893650    -16.84635969
  H     16.47212198      5.23658435    -11.63412149
  O     14.30462913      6.24021826    -15.49176030
  H     17.93755825     11.64795234    -15.11356257
  H     15.99991392      3.90002556    -12.27007179
  O     12.53555462      9.25975447     -9.45271812
  H     16.90307612     10.55108827    -15.46353426
  H     16.32932834      8.30506513     -9.21142089
  O     15.75840174      4.58127777    -11.63170540
  H     14.29871939     11.47219126    -13.47024189
  H     17.39509429      7.72455104     -8.25377409
  O     16.88634673      7.52618691     -9.03590613
  H     15.78532286     11.76825505    -13.77695190
  H     14.27635340      9.53451065     -9.46633592
  O     15.22966253      9.59369080     -9.63369608
  H     13.80186992      9.50448071    -13.19086648
  H     15.43530183     10.50504554     -9.88893569
          69
 Ord_Energy   -249.193634    
 O    3.21020317      -4.74940348      0.545512676    
 H    4.10440397      -4.51040173      0.826948047    
 H    3.28610444      -5.32066250     -0.229272023    
 O  -0.916221619      -4.11001492     -0.561853588    
 H  -0.367154747      -4.15001965      0.241738752    
 H   -1.70767081      -4.60899448     -0.376289517    
 O    4.76919174      -1.87458181      -3.65358496    
 H    5.37290668      -1.73896849      -2.90943909    
 H    4.69536877      -1.01241231      -4.08376646    
 O    5.44089842      -4.57940245      -2.86695194    
 H    5.12829542      -3.77926016      -3.30455875    
 H    4.66560411      -5.09324217      -2.60970044    
 O    5.69640493      -3.73502326       1.24269927    
 H    6.34407949      -3.97525620      0.567363322    
 H    5.53886318      -2.78981876       1.11535680    
 O    7.35778427      -4.11793947      -1.02194965    
 H    8.15795517      -4.58818722      -1.23901379    
 H    6.69744587      -4.35381603      -1.69940174    
 O    2.16417098       1.28172398      -3.10974884    
 H    1.40013218      0.724232912      -3.30283356    
 H    2.09473944       1.52495313      -2.17919803    
 O   0.991974294      -4.92673063      -2.51925063    
 H    1.33658719      -4.09184265      -2.86877918    
 H   0.303484499      -4.69244766      -1.88624489    
 O    4.43279076      0.779412746      -4.47727585    
 H    3.61350608      0.996671796      -3.99589324    
 H    4.43418980       1.30506492      -5.27241564    
 O    2.71364975      -2.21466684     -0.525006473    
 H    2.80501294      -3.10950017     -0.172032014    
 H    2.49649501      -2.29020596      -1.46218240    
 O   0.689006627      -4.19980145       1.61146092    
 H    1.57221735      -4.49663639       1.35078990    
 H   0.815294564      -3.45113921       2.20485449    
 O  -0.838080347      -1.35244036      -1.20490253    
 H  -0.926062703      -2.29623461      -1.02012479    
 H  -0.343331784     -0.982353866     -0.463278145    
 O    4.88015699      -1.05406523      0.690659106    
 H    4.86233711      -8.76937136E-02  0.604484856    
 H    4.11955976      -1.41073179      0.205890983    
 O    6.56938839      -1.43699610      -1.53515005    
 H    6.04591942      -1.25510168     -0.743058205    
 H    7.00996304      -2.28006077      -1.37721252    
 O    2.12063432      -2.50268316      -3.22159028    
 H    1.50550008      -1.80652595      -3.48185301    
 H    3.01837730      -2.24721456      -3.47591138    
 O    3.93744969      -2.10187459       3.12582183    
 H    4.25312328      -1.52913940       2.41275001    
 H    4.45757294      -2.90368080       3.03692770    
 O    1.89511871       1.86533451     -0.337248504    
 H    1.55368912       1.07014978      0.103327177    
 H    1.39379370       2.60295248       2.92568002E-03
 O    6.14404202       1.30937958      -2.22466636    
 H    5.61965370       1.22175741      -3.02926350    
 H    6.51137638      0.431411564      -2.06198025    
 O   0.107708737     -0.574076295      -3.60551238    
 H  -0.597741246     -0.551855564      -4.24611568    
 H  -0.291066706     -0.830877781      -2.75401545    
 O    4.71420383       1.56933248      0.152626321    
 H    5.20346403       1.62996578     -0.681961656    
 H    3.79523993       1.78536975      -4.00548391E-02
 O    1.22325695      -1.87518430       3.22004414    
 H    2.19234943      -1.95983362       3.25176811    
 H   0.931571066      -1.73700833       4.11745310    
 O    3.28271413      -6.16182995      -1.88225543    
 H    3.24512529      -7.09514475      -2.07324982    
 H    2.42337108      -5.78429413      -2.14594054    
 O    1.00847697     -0.505030453      0.762356043    
 H   0.964417458     -0.841468930       1.66449630    
 H    1.58270609      -1.12172163      0.279766440    
          69
 Energy    -249.19350326138556     
  O     14.83447529     10.73616125    -12.61975617
  H     14.78721072     11.26415925    -13.43243344
  H     13.99466656     12.45477882    -15.53610577
  O     18.12171409     15.80202777    -16.20476898
  H     13.96425625     10.36824833    -12.48205720
  H     19.12010162     12.31099529     -9.68102404
  O     18.32469729      9.15365347    -15.13759515
  H     18.00857904     16.43880604    -16.90512488
  H     18.56038907     10.87855598     -9.81645211
  O     20.66301887     13.21908122    -10.39414324
  H     18.34920914     14.95131997    -16.62759169
  H     23.37391624     14.55474281    -13.91035738
  O     16.47998554     15.35401857    -11.97541282
  H     18.99425483      9.77221280    -14.79471362
  H     22.17848032     15.51068499    -13.75796749
  O     19.03337067      9.18857663    -10.56547303
  H     18.79371871      8.47939920    -15.62278867
  H     20.96117449     11.59540552    -11.16298064
  O     16.22061349     12.69365504    -11.06657875
  H     20.17522442     13.83252812    -10.96398151
  H     20.52082391     10.10722816    -11.19640845
  O     17.03515272     11.33703831    -16.47309848
  H     21.56764797     13.55392041    -10.36979231
  H     18.19553873     12.65346950    -16.97871926
  O     21.15077906     12.92144502    -15.65012393
  H     17.43973690     15.43080794    -11.90278312
  H     19.65789414     13.15364388    -16.79042918
  O     23.27257059     14.19681060    -10.84077633
  H     16.25752756     14.52727237    -11.52358083
  H     24.67043876     12.69843289    -15.19283395
  O     19.93009164     11.04441412    -14.03719195
  H     18.36197815      9.12948078    -11.26820078
  H     23.78997966     12.42702123    -13.94931653
  O     14.72599830     12.29376164    -14.94424449
  H     18.98134707      8.37764635    -10.06659924
  H     20.70700781     14.57160279    -14.97295883
  O     18.31786706     11.78277371     -9.58323049
  H     16.87738005     12.34581410    -10.44181077
  H     19.71953851     15.74705480    -15.12441258
  O     23.00768430     15.24414831    -13.34207505
  H     15.66362842     11.97027306    -11.37256508
  H     22.86826606     11.25549234    -12.09197374
  O     21.14293235     10.73859137    -11.57850501
  H     16.24552189     11.56386083    -15.97167596
  H     23.63908532     12.53824295    -11.73711621
  O     18.79504588     13.39350166    -17.15074119
  H     17.39337795     10.54083229    -16.06287326
  H     17.49684292      9.02793356    -13.44690757
  O     23.82809926     12.90527884    -14.79735337
  H     20.75886668     12.22313318    -15.10566010
  H     16.37149990      9.61466839    -12.56765714
  O     20.48128124     15.44461069    -14.61723523
  H     22.10247420     12.88826209    -15.49467627
  H     17.33732185     12.56623669    -12.51313299
  O     23.64169255     11.78050133    -12.33589079
  H     23.15412070     14.64992133    -11.69504297
  H     17.39564349     13.22894818    -13.91082603
  O     17.17432165      9.08204830    -12.53873194
  H     23.87133273     14.73253577    -10.32745601
  H     16.21722686     14.93623787    -13.69280089
  O     17.87978319     12.64961296    -13.30940430
  H     19.16983112     11.59956136    -13.79619834
  H     16.79869246     15.05174549    -15.14392100
  O     16.21297760     14.53596594    -14.57695211
  H     20.42978304     10.88705606    -13.22595420
  H     18.81677137     14.02364420    -12.54688237
  O     19.28507833     14.79204764    -12.18969552
  H     15.18330489     13.14590274    -14.83241751
  H     19.76599387     15.15831946    -12.94267028
          69
 Energy    -249.19313020228984     
  O     -9.21935555      1.11688939      3.12873352
  H     -8.50982113      1.41008725      3.72364111
  H     -9.43098011      2.73433847      2.44177390
  O     -5.52912186      0.84267655      6.50627986
  H     -8.92647554      0.27725492      2.74845236
  H     -4.58924729     -0.74113615      1.61687604
  O     -8.01281099     -2.66966782      4.82135689
  H     -5.46409946     -0.01909561      6.06181778
  H     -5.29667226      0.44249734      2.31274566
  O     -7.72074217      4.42393953      6.11446213
  H     -6.15975988      0.76641545      7.23094876
  H    -11.50863733      1.47041273      5.38143464
  O    -12.85616085      2.63379321      5.15029244
  H     -8.29026519     -3.56391827      5.00072100
  H    -10.23410454      1.01726587      4.61588880
  O     -7.25432197      2.05936464      4.73519159
  H     -8.45391851     -2.10316783      5.47938726
  H    -11.89205702      5.49964135      4.23853426
  O     -7.72609596      0.82065913      8.34785721
  H     -8.20293962      4.93591715      5.44777103
  H    -11.66478762      5.56039147      5.76415106
  O     -9.50730720      2.75041989      7.37636278
  H     -6.80914563      4.74179077      6.11175727
  H    -11.22884071      4.00129338      2.51617398
  O    -11.81902992      4.33792785      7.23526120
  H    -12.67964601      3.11596619      4.33273853
  H    -12.67215522      4.28637044      2.05744713
  O     -6.35154174      5.98112807      3.18884371
  H    -12.67116994      3.25027004      5.86960735
  H     -8.10329832     -1.79592005      3.14309342
  O     -5.47922619      2.19174979      2.64007143
  H     -6.70054848      1.55395456      5.34526403
  H     -7.13097764     -1.05276954      2.20888281
  O     -9.45786575      3.66416760      2.16608547
  H     -7.42827166      2.90980935      5.15613504
  H     -9.16117276      5.00206713      3.42299637
  O     -5.27447253     -0.52604857      2.24489405
  H     -8.34484453      1.52833590      8.10651801
  H     -9.84822539      5.99940308      4.39446205
  O    -10.64462849      1.04999781      5.49095893
  H     -7.75009097      0.75237038      9.29977983
  H     -6.59755002      4.62119460      0.33779129
  O    -11.54530452      6.05850405      4.94604341
  H     -9.84938719      2.17260994      6.67522509
  H     -6.58717363      4.89269106      1.86088729
  O    -12.12639133      4.18528963      2.83426758
  H     -8.87488814      3.37196633      6.98465896
  H     -8.63310007     -0.52022242      7.26440129
  O     -8.06647515     -1.23827561      2.35478820
  H    -11.01988917      3.81240266      7.39442760
  H     -9.78892949     -0.38468728      6.25556400
  O     -8.98828130      5.71019019      4.05791001
  H    -12.19507237      4.52777984      8.09176979
  H     -6.29992366     -1.91441041      4.95935246
  O     -6.81572872      4.23226854      1.18095488
  H     -7.26066079      6.10164736      3.49894395
  H     -5.31691687     -1.15529180      4.05079503
  O     -9.15710716     -1.01631962      6.62703838
  H     -5.82759673      5.78426222      3.97370030
  H     -4.41383426      2.10599501      5.64575359
  O     -5.48544583     -1.39575944      4.96989911
  H     -5.83166287      2.83905661      2.01913218
  H     -4.30168780      2.57794223      4.17632798
  O     -4.03793304      2.79404866      5.07878236
  H     -6.11662768      2.16189952      3.37102658
  H     -4.64509926      4.37519201      5.47390002
  O     -5.07398617      5.22889010      5.66152007
  H     -8.63230488      3.83384715      1.69757167
  H     -4.43568515      5.76062514      6.12933937
          69
 Energy    -249.19282423106597     
  O     13.59486131      9.52301506    -10.71002019
  H     13.99488866     10.11477100    -10.05911730
  H     13.26314656     15.69488465     -8.28886010
  O     11.17308623      6.44555201    -11.60843179
  H     14.24343615      8.83304763    -10.89638484
  H      9.99012031     11.35125804    -10.70852820
  O     12.33548345     11.01770358    -12.58837630
  H     11.10751880      7.21473645    -12.20104580
  H     11.21869665     11.83431823    -11.47809982
  O     14.71338227     11.23690482     -8.84889234
  H     10.43844309      5.87339046    -11.81739298
  H     14.84166953      9.45666231     -5.75973036
  O     15.55808359      7.54758834    -10.92249998
  H     12.79885026     10.45744874    -11.94426518
  H     13.64529841      9.57224432     -6.73812665
  O     13.54871538     14.99952783    -13.02274278
  H     13.01711155     11.55472391    -13.00746646
  H     11.68600538      9.22409751     -7.82984995
  O     11.64819168      8.09250672     -9.39627390
  H     14.85637532     10.66674515     -8.08336211
  H     11.90850574     10.73306388     -7.54592288
  O     14.56342325     12.42259429    -13.45367502
  H     13.86020641     11.67737416     -8.71880370
  H     13.42869513      7.28531797     -8.62154454
  O     15.12783049     14.66819654    -10.65046144
  H     15.06032645      6.97328690    -11.52516224
  H     14.56833517      7.88765806     -7.79236320
  O     11.51057696     14.73605550    -11.24455568
  H     15.28451540      7.33515918    -10.01840403
  H     16.54454491     11.21789886    -11.42013891
  O     15.21759200      9.78192957    -14.22119334
  H     12.76189175     14.90641284    -12.45618825
  H     15.67395666     11.78429930    -10.27829535
  O     13.10115676     14.94348410     -8.85283621
  H     13.40187564     15.76384058    -13.57336088
  H     11.41388964      9.53657848    -13.07260127
  O     10.58459506     12.10649236    -10.79622953
  H     12.30213811      8.64738705     -9.85241913
  H     11.75200159      8.31444092    -13.91244105
  O     14.61020882      9.44043666     -6.68432476
  H     11.43726058      7.37847022    -10.01199403
  H     10.09601626      9.05199937    -10.24061969
  O     11.97637530      9.85083476     -7.15579594
  H     15.08649758     12.31321974    -12.64563668
  H      9.75662961      9.22128951    -11.72269217
  O     14.37238370      7.20719632     -8.44908317
  H     14.24210145     13.33283366    -13.45283299
  H     13.46570892      7.67291509    -15.74017196
  O     16.09208048     12.01608437    -11.12084346
  H     15.61937622     13.84960801    -10.78825969
  H     14.01109791      8.58703148    -14.62080264
  O     11.10628641      8.63984196    -13.27061570
  H     14.70979834     14.87358562    -11.49639018
  H     17.99547689      9.22357074    -12.14959507
  O      9.51154445      9.52647909    -10.84321349
  H     11.01941472     13.91226357    -11.12925282
  H     16.62207083      8.77217759    -11.60419926
  O     13.35501707      7.89490780    -14.81930885
  H     11.92699297     14.91517160    -10.39262960
  H     13.74465355      6.70168873    -13.40596277
  O     17.08924723      9.50326833    -12.04441065
  H     14.98932348     10.71741658    -14.14606359
  H     12.99547774      6.12078398    -12.19455235
  O     13.87203655      6.20534261    -12.58719235
  H     15.90652449      9.63191478    -13.56381781
  H     11.59344377     12.23007206     -9.29640025
  O     12.18428921     12.32218922     -8.53511409
  H     13.88216181     14.84881514     -9.42708120
  H     12.44130806     13.25257365     -8.49785103
          69
 Ord_Energy   -249.192719    
 O    7.14658308      -5.19687557      -3.73625898    
 H    7.81695557      -5.87509251      -3.74637842    
 H    6.41880703      -5.52619267      -3.18074226    
 O    1.17936003      -6.14108086      -1.79315186    
 H    1.27401996      -5.57329559      -1.01954985    
 H   0.860256612      -5.59492588      -2.52353930    
 O    6.81793165      -2.64523602      -2.57029605    
 H    7.10894108      -3.46114969      -2.99336672    
 H    6.86915493      -1.92748094      -3.22060728    
 O    4.25964165      0.598324835      -3.14796805    
 H    4.07016754      0.303710073      -2.24191928    
 H    4.05428791       1.53028047      -3.17439866    
 O    4.47638178      -4.06363010       3.03868032    
 H    5.08251619      -3.31169033       3.04925752    
 H    4.59220362      -4.47691441       2.17219901    
 O   0.666734695      -2.12690639      -3.94225049    
 H   0.927708387      -2.10008192      -3.01066041    
 H    1.43247342      -1.79633307      -4.43139648    
 O    4.07103920      -3.21781230      -2.98624134    
 H    4.98510170      -2.94600081      -2.83226299    
 H    3.76927161      -2.74446368      -3.77150464    
 O    4.91004086      -5.77867508      -2.27585626    
 H    4.33758926      -6.53275681      -2.46623325    
 H    4.46384811      -4.98719597      -2.61656141    
 O    3.17310333      -1.35350168      -4.91469860    
 H    3.48931170     -0.631651163      -4.35506010    
 H    3.81963086      -1.47056222      -5.62252331    
 O    3.38755226     -0.617078900       2.07209611    
 H    4.25969887     -0.869084835       2.39918113    
 H    2.79934168      -1.34081936       2.31945515    
 O    5.31264830      -1.86889994      -6.62864876    
 H    5.33960915      -2.81845737      -6.40649271    
 H    5.47549009      -1.80031145      -7.56497622    
 O    3.62115812     -0.391759753     -0.654839456    
 H    2.94190860      -1.02271748     -0.938490748    
 H    3.50787497     -0.288643420      0.301244587    
 O   0.458111584      -4.80909777      -4.20754385    
 H  -0.347951889      -5.03105497      -4.66691208    
 H   0.484830052      -3.83870935      -4.15003300    
 O    5.77255487      -2.12658024     -0.105345160    
 H    5.05319405      -1.52136350     -0.332104236    
 H    6.28701401      -2.28096533     -0.909930527    
 O    4.61763954      -4.67492294      0.282216936    
 H    4.80033970      -5.18576145     -0.515887201    
 H    5.00196838      -3.79844785      0.141159058    
 O    6.01131630      -1.70535028       2.59261584    
 H    6.84608269      -1.32301426       2.85000610    
 H    6.05212927      -1.84620774       1.63081539    
 O    5.33054352      -4.44675732      -5.88136053    
 H    4.51175261      -4.91582632      -5.66158247    
 H    5.99340534      -4.73474932      -5.24562979    
 O    3.00559020      -5.78025198      -5.10773945    
 H    3.07066178      -6.54394150      -4.52362251    
 H    2.15263057      -5.38103008      -4.89716482    
 O    6.56169844     -0.630796313      -4.37282753    
 H    5.85252571     -0.109891430      -3.97577071    
 H    6.21167135     -0.986684680      -5.19985771    
 O    1.96354783      -3.02665138       2.86105394    
 H    1.46926665      -3.10743499       3.67278957    
 H    2.83350825      -3.43554640       3.02047682    
 O    1.93771863      -2.38616514      -1.47332764    
 H    1.75527847      -3.03650165     -0.784193575    
 H    2.67603850      -2.74456382      -1.99159324    
 O    3.04433584      -7.70494223      -2.93354273    
 H    2.33656073      -7.21064091      -2.47845149    
 H    2.83295584      -8.62994099      -2.85070896    
 O    1.83200788      -4.41680908      0.396440774    
 H    2.78793573      -4.56754827      0.342439145    
 H    1.68239617      -3.98614788       1.24668789    
          69
 Energy    -249.19131825368348     
  O     -1.42600934      0.66480310      1.76052621
  H     -1.59469093     -0.06277442      2.38309114
  H     -4.00473524      4.88741929      1.44003284
  O      2.20400839      0.37651555      4.07475068
  H     -2.29594355      1.00944489      1.53151508
  H     -3.16078129      4.68950509      6.72534172
  O     -3.85072359     -3.95763994      4.70159772
  H      2.13666667     -0.41140275      3.51262438
  H     -3.67353500      3.77139478      5.59136448
  O     -4.66506382     -1.96943920      2.90784036
  H      3.13147069      0.59637150      4.12875494
  H     -1.72347829      2.58664728      6.28086107
  O     -4.44549410     -1.13334528      0.21809677
  H     -3.22736942     -4.36742413      4.08985975
  H     -0.77982192      1.89471046      5.27178486
  O     -4.13354853      1.34097405      1.48441695
  H     -4.36717570     -3.35405265      4.15078434
  H     -4.74925176      3.64926628      3.61455446
  O     -0.01290992     -1.37533830      0.45706683
  H     -4.77647898     -1.85913264      1.95721649
  H     -5.14405595      2.37956707      4.39389627
  O      1.94374961     -1.92696223      2.54538409
  H     -3.72447531     -1.79677746      3.07859930
  H      1.28209780     -0.08891511      5.72874544
  O     -0.02566503     -3.27012373      3.79455257
  H     -4.33905767     -0.22847211      0.55330504
  H      0.12005307      0.46751279      6.56463072
  O     -2.03981772     -4.82164915      2.64096335
  H     -4.97233773     -1.06726370     -0.57481379
  H     -1.98652022      4.38243629      4.40770200
  O     -5.00140432      0.54618751      4.05378434
  H     -4.09081173      2.30585509      1.48591897
  H     -0.97226512      3.67972969      3.48597952
  O     -3.86392322      4.08346480      1.93268033
  H     -4.40833558      1.08294757      2.37648740
  H     -1.33303364     -1.93550069      3.69477710
  O     -2.87932629      4.03950464      6.08715106
  H      0.71469148     -1.52425767      1.06981306
  H     -2.26721605     -0.90593047      4.41962915
  O     -1.16962415      1.80635408      6.15436741
  H     -0.44051074     -0.56072261      0.75624665
  H     -1.16058483     -2.86124225      6.75111244
  O     -4.96908878      3.32464498      4.49591691
  H      1.25599355     -2.44636165      3.00069102
  H      0.10797664     -1.98696565      6.55515330
  O      0.72104041     -0.28376073      6.48789915
  H      2.61698302     -2.54576704      2.27286481
  H     -3.34654292     -3.20862229      6.20849810
  O     -1.66328824      4.35501278      3.49880358
  H     -0.06780944     -3.25148373      4.76500815
  H     -3.48746536     -3.13852177      7.74696187
  O     -2.01506343     -1.26822961      3.56027778
  H     -0.64356917     -3.92925233      3.45632727
  H     -1.42932226     -2.52196165      0.49197531
  O     -0.24875390     -2.88120821      6.44038903
  H     -2.04225532     -5.69637091      2.26146916
  H     -2.96488183     -2.43458078      0.39782172
  O     -3.04572348     -2.73468087      7.00466102
  H     -2.15801857     -4.19736971      1.90133490
  H      0.82793599      1.60876979      3.74291768
  O     -2.24310994     -3.03495798      0.60790978
  H     -4.36185934      0.39663852      4.76695055
  H     -0.48149532      1.63177575      2.91740255
  O      0.00108412      2.08959857      3.62235809
  H     -5.16638439     -0.33324766      3.69022231
  H     -3.03501492     -0.95169353      6.44133772
  O     -3.07611343     -0.16705554      5.88100314
  H     -3.03284964      4.20062468      2.42761511
  H     -2.38972822      0.46489483      6.13389132
          69
 Energy    -249.19109146836610     
  O     12.73744641     10.58850575    -15.46810987
  H     13.04909696      9.81541842    -15.96198408
  H     15.95066183      5.51505249    -14.59173179
  O     16.11700050      6.39895316    -12.90739733
  H     13.46785874     11.21481679    -15.46790554
  H     19.25794022      8.38891048    -14.91840160
  O     17.59670675     10.59510246    -11.48695453
  H     15.37151184      6.51686327    -12.30237758
  H     20.65258848      7.86137598    -14.51034958
  O     17.66641825     11.64646231    -16.00177667
  H     16.88868494      6.81515994    -12.49925528
  H     15.82247127      7.83342591    -13.94048591
  O     12.91461574      5.75110111    -15.73114920
  H     17.44320324     10.65064749    -10.53608030
  H     16.57659189      8.69192864    -14.98703164
  O     14.43958930      9.62019076     -8.74612700
  H     16.75045171     10.75441529    -11.93034466
  H     11.85576629      9.96658923    -14.09612614
  O     13.96662313      7.00772636    -11.25478399
  H     18.22153339     12.16637183    -16.57857474
  H     10.47886422      9.86169483    -13.40136094
  O     15.28120849     10.84852781    -12.94279946
  H     18.17736463     11.49842608    -15.18429538
  H     17.87485744      7.56921665    -10.06901242
  O     16.35624945      7.17972474    -17.46716156
  H     12.60195610      6.07376144    -14.86682658
  H     17.48804595      8.56266404     -8.95578266
  O     14.97404824      6.79516736     -8.65590731
  H     12.26376537      5.12898038    -16.04423329
  H     12.69709561      6.71782374    -12.60174552
  O     18.04682889      8.79138033    -16.13119969
  H     13.94971686      9.74744666     -9.56974229
  H     11.81026078      7.70873933    -13.38640818
  O     15.74898427      5.29299472    -15.50942476
  H     14.48487859      8.66648383     -8.60435169
  H     18.66538509     11.03223160    -12.92696605
  O     19.88228249      8.31319750    -14.17553485
  H     13.78675619      7.95844455    -11.28086328
  H     19.54475276     10.20735611    -13.88049296
  O     15.77570164      8.65360654    -14.45046985
  H     14.23308751      6.80512182    -10.34964394
  H     17.99384504      8.82004782    -11.75943743
  O     11.38575063      9.57332964    -13.33944049
  H     15.13164239     11.54345408    -13.59192815
  H     18.89970839      7.91096052    -12.61211230
  O     17.50673597      7.62339962     -9.17787190
  H     15.42803820     10.03807313    -13.45943744
  H     17.21009037     10.97165418     -7.99161803
  O     12.11965315      6.79516494    -13.37196394
  H     16.26546321      6.43315996    -16.85391307
  H     16.07386643     10.21542704     -8.72221513
  O     19.11236550     11.06420267    -13.78391315
  H     15.49327668      7.60913014    -17.45667749
  H     12.56116229      9.72195580    -11.90323692
  O     18.25533446      7.89743157    -11.89445747
  H     15.90901010      7.00738982     -8.82958297
  H     14.02392635     10.20255583    -11.83755249
  O     17.02341272     10.43139342     -8.75443707
  H     14.96309710      6.14112460     -7.96272889
  H     14.96265097     13.30931684    -15.50071310
  O     13.33966868      9.73983646    -11.33280739
  H     17.87353638      9.71804598    -16.32756896
  H     15.92984604     12.11057671    -15.59106048
  O     15.04917996     12.38253652    -15.28863382
  H     17.52722842      8.23116522    -16.73114946
  H     13.46228357      7.42832357    -16.35551199
  O     13.88185444      8.28635676    -16.50078811
  H     14.78631007      5.32563516    -15.57764599
  H     14.51394711      8.39623172    -15.77362634
          69
 Energy    -249.19108352916297     
  O     16.64658011     10.80904269    -13.64567548
  H     16.93090603     10.84608183    -12.71866395
  H     17.40782571      5.68564419    -17.34064458
  O     15.32513713      6.04761886    -14.49115034
  H     17.41663385     10.70903080    -14.21792621
  H     16.57419573      4.47990886    -11.50203731
  O     14.49689075      6.41116365     -9.85585714
  H     15.61972760      6.83221810    -13.99794390
  H     17.78221552      3.58075377    -11.15607503
  O     18.84303868      8.41786128    -10.03688303
  H     15.95975923      5.91991428    -15.20557456
  H     16.33719539      9.01904779    -13.40489782
  O     16.47552321      8.68519980    -16.95461288
  H     15.35106324      6.41472193     -9.39914615
  H     15.66142464      8.33856580    -12.20691068
  O     10.65500337      7.72104069    -11.53468201
  H     14.61592787      5.88091379    -10.65553344
  H     14.89028869     11.08666543    -14.08280568
  O     12.95753881      7.41007098    -14.91779328
  H     19.75508308      8.53391790     -9.78026003
  H     13.46895671     10.60231032    -13.68082728
  O     14.71234523      9.01680470    -10.81700608
  H     18.84842783      7.90408544    -10.86127034
  H     11.74718859      4.81085077    -12.56593441
  O     19.24579468      7.49432327    -14.94584059
  H     15.57964036      9.02209927    -16.83388384
  H     11.96877354      4.78626119    -11.04316399
  O     10.88850965      5.96608795    -13.80962606
  H     17.08126086      9.30484128    -16.53200293
  H     13.30695675      9.99294073    -17.26334198
  O     18.49383603      6.88113018    -12.30795827
  H     10.57737690      7.11032340    -12.27840634
  H     13.84306958     10.14929636    -15.81927135
  O     17.25116715      6.14429945    -16.51976786
  H     10.97190971      7.19060427    -10.79307304
  H     17.65959783      7.10563239     -9.21322330
  O     17.49659165      4.49001137    -11.19366977
  H     13.16374062      8.08920136    -15.57185772
  H     17.34690467      5.65840370     -9.63996838
  O     16.14952436      8.15361326    -13.02021917
  H     13.74866004      6.86016849    -14.82614452
  H     13.99624902      4.45337796    -12.03423145
  O     13.96842134     11.05022997    -14.37539681
  H     13.95038084      9.16488179    -11.39629930
  H     15.04934151      5.11023747    -12.97436307
  O     12.23091284      4.35476669    -11.86587931
  H     14.56920739      8.17416426    -10.36758069
  H     11.55138114      5.82994400     -8.64613379
  O     13.78697847      9.53738149    -16.57693979
  H     18.66497093      6.92263597    -15.46275457
  H     12.75729579      6.18302885     -9.54479755
  O     17.09570829      6.34890470     -9.01359574
  H     19.14218593      7.22199521    -14.02486908
  H     19.31007251     10.51142074    -15.95488840
  O     14.92318908      4.72898007    -12.09455600
  H     10.23316271      5.73745568    -14.46417901
  H     18.89271466      9.17300353    -15.30220779
  O     11.80310191      5.99733700     -9.55079188
  H     11.57677006      6.47419886    -14.27002219
  H     11.90583793      8.83087273    -12.21249067
  O     18.58194086     10.06782531    -15.52785368
  H     18.24374404      6.00298486    -11.99442163
  H     12.84360059      8.58709723    -13.41180054
  O     12.67872931      9.18758518    -12.67395886
  H     17.67330939      7.33620293    -12.55593130
  H     16.22860202     10.15125906    -10.75608279
  O     17.09452222     10.54272953    -10.94014557
  H     16.94851320      7.04300639    -16.75094908
  H     17.73504794      9.92610166    -10.56862067
          69
 Energy    -249.19097650752613     
  O      2.09702451      0.06445740      5.22463606
  H      1.90282622     -0.18661361      4.31079592
  H     -1.59676895     -2.18026592      3.41668175
  O      1.30497627      2.68132371      5.97406604
  H      1.83410355      0.98189063      5.35689935
  H      0.59806947      1.93313586      2.03576360
  O     -0.73884905     -5.18653952      5.72770452
  H      2.00234597      3.32028813      6.10896091
  H      1.23373852      1.95825683      0.62319231
  O     -1.94313456     -2.45163378      8.93164559
  H      0.97786138      2.44375538      6.85576765
  H     -3.42835686      2.47110035      2.90111978
  O      3.69006403     -3.71318816      6.13799059
  H     -0.04373207     -4.86653742      6.32041554
  H     -2.45866957      1.29807354      2.63558363
  O      1.43128534     -0.92603615      2.74120601
  H     -1.56867517     -4.89055371      6.11866894
  H     -3.03695564      1.09674100      4.93925127
  O      2.49216402     -3.37253829      3.73395231
  H     -1.92336145     -1.52102659      8.67378716
  H     -3.02166677     -0.36420120      5.41682432
  O      3.69433551     -1.05713326      7.20238772
  H     -1.07547167     -2.63482627      9.31159097
  H     -0.90797813      0.55641907      1.22482760
  O      0.41854930      1.90063541      8.49095188
  H      3.30421616     -3.58109319      5.25259335
  H     -1.60119919     -0.72064602      1.74362736
  O      1.94619096     -0.49492694      9.25341043
  H      4.43721208     -4.29460681      6.02678574
  H     -0.95171081      2.58306355      3.50131731
  O      0.74772572     -2.82729875      9.85026200
  H      1.35744760     -0.17331416      2.14176734
  H      0.34270286      2.79539499      4.32918750
  O     -1.03500666     -2.27120864      2.63237088
  H      0.56669243     -1.36154878      2.74255403
  H      0.47543649     -2.40051393      6.57912828
  O      0.84769432      1.37875280      1.27370925
  H      1.72655525     -3.92637195      3.53667169
  H      0.82291504     -1.04541255      5.88725404
  O     -2.71738062      1.96923877      3.29206075
  H      2.30300036     -2.51510699      3.33411472
  H      0.02819919     -5.63588987      2.72010042
  O     -3.15984617      0.54462121      5.71973258
  H      3.25195804     -0.61042481      6.46654307
  H     -0.24723647     -4.96159398      4.08433555
  O     -1.76792157      0.18890554      1.46280519
  H      3.82248948     -1.96471634      6.90414446
  H     -0.84589870     -0.51370281      7.30745962
  O     -0.00700370      2.77485393      3.43198833
  H      0.14542226      2.41077526      9.24938352
  H     -2.11411513      0.36626905      7.14232701
  O      0.09824760     -1.58742852      6.22248989
  H     -0.31017418      1.28511104      8.29055377
  H     -2.65470684     -3.47320401      7.69666669
  O      0.08282192     -4.80318087      3.18122962
  H      1.53877272      0.34446467      9.02425198
  H     -3.84888493     -4.35666032      7.27124428
  O     -1.43839578      0.09140053      7.78082609
  H      2.62350241     -0.67121215      8.58136256
  H      2.08948899     -3.91840721      7.03352554
  O     -3.02675447     -3.98881736      6.95893189
  H      1.16737444     -1.96477864      9.67501298
  H      1.11555134     -3.66097382      8.23959639
  O      1.16678166     -3.94570050      7.31830214
  H      1.01029860     -3.08660600     10.72915055
  H     -1.45346338     -1.88677876      5.40414015
  O     -2.33769460     -2.05014916      5.03657253
  H     -0.68867393     -3.17128243      2.66544949
  H     -2.72753898     -2.73632424      5.59049911
          69
 Energy    -249.19036837362108     
  O     14.42609903      9.56983746    -10.41663331
  H     14.22793823     10.11866362    -11.18887920
  H     11.61598996      7.77720996     -9.45758264
  O     13.21954268     10.53256500    -16.30851843
  H     13.66723599      8.99689673    -10.25395383
  H     18.11139596      7.15528022    -14.76827441
  O     16.82378508     10.66653349    -13.50589378
  H     13.25360915     11.37476785    -15.83818096
  H     18.76154726      7.23101291    -13.38739774
  O     13.52787045      5.21976353    -13.26964649
  H     12.90168463      9.88587295    -15.66574931
  H     14.67558433     12.82982869    -15.07288110
  O     16.93542661      7.04267068     -8.19687628
  H     17.35204979     10.79453222    -12.70938839
  H     13.50073171     13.79934921    -14.79441308
  O     16.27809489     12.41033768    -15.63277741
  H     15.89650944     10.65143387    -13.23330037
  H     13.52274510      8.25030228    -14.31792577
  O     15.98737536      7.69295939    -11.84422196
  H     14.16238040      4.94755272    -12.59336660
  H     12.14196370      8.20206614    -13.62818512
  O     14.05835191     10.82521238    -12.84155056
  H     14.02969391      5.79256209    -13.86585575
  H     15.61672047     10.22622993    -18.39172229
  O     18.76678848      8.25371675    -11.90750877
  H     17.06637429      6.81608806     -7.27906320
  H     14.78483482     10.29799937    -17.09048770
  O     18.30803296     10.89139867    -11.07991138
  H     16.06404949      6.69032756     -8.44607528
  H     12.17772766      6.14948723    -12.76897251
  O     18.16954094      4.54149844    -12.32340047
  H     16.20074760     11.78191309    -16.36124856
  H     10.64423665      6.35344656    -12.74792225
  O     12.37284998      7.67082975    -10.03025833
  H     16.62840614     11.90006572    -14.88872907
  H     14.83804734      5.48217509     -9.76891080
  O     18.52518119      6.60875642    -14.09290082
  H     16.92457174      7.92530231    -11.86640646
  H     13.79054794      6.52409359     -9.31738059
  O     13.76327114     12.88525471    -14.73459648
  H     15.52689400      8.33962675    -11.29766101
  H     16.41385428      4.63022090    -11.68807983
  O     12.71982597      8.76996981    -14.14648890
  H     13.89825393     11.62593215    -13.35577253
  H     15.69380529      5.96734058    -11.48534859
  O     15.69205370     10.25903277    -17.44172744
  H     13.55819106     10.11737939    -13.27353130
  H     18.65691109      5.57452127    -10.68602332
  O     11.46858427      6.76238907    -12.49773195
  H     18.96973152      7.64883875    -11.17660136
  H     18.24006330      6.41104286     -9.44017781
  O     14.54576982      6.01122728     -9.01198336
  H     18.81050517      9.15937942    -11.58528791
  H     15.34016215      7.41930675    -13.48957488
  O     15.58184362      5.00814976    -11.37921761
  H     18.85175866     11.59873419    -10.74461913
  H     15.68095031      7.69119541    -14.96200927
  O     18.95311363      6.25822611    -10.07326350
  H     17.80905141     10.53428961    -10.32253875
  H     15.94338543      9.79645556     -9.43737322
  O     15.00119878      7.31318041    -14.39207872
  H     18.72613987      3.81232146    -12.58425628
  H     16.96838035      8.86640423     -8.76068550
  O     16.85381103      9.75785391     -9.11052971
  H     18.26575717      5.21956133    -13.01545050
  H     17.10999550      9.32895413    -14.80914721
  O     17.09319662      8.69490475    -15.54093139
  H     12.03405121      7.35251730    -10.88140683
  H     16.71621683      9.16758086    -16.29342989
          69
 Ord_Energy   -249.189590    
 O   -2.76573777      0.587640822       5.62551737    
 H   -3.63125873      0.300123960       5.94433069    
 H   -2.32856345       1.05124271       6.35105276    
 O   -7.64038610       4.95767641       5.20320034    
 H   -6.78670216       4.86975098       5.65911674    
 H   -8.26009941       5.30057335       5.84203911    
 O   -2.93681264       6.30226564       6.01725578    
 H   -2.46091247       6.95819759       6.51986313    
 H   -2.30190468       5.59171915       5.81525135    
 O   -2.52323389       2.16549659      -1.14458704    
 H   -2.68725395       1.21571445      -1.09895790    
 H   -1.66700578       2.30809975     -0.722445548    
 O   -4.54644346       2.42639232       7.93542671    
 H   -4.97447348       1.69133914       7.48060608    
 H   -4.84713364       3.23170781       7.49271536    
 O   -3.14110899       4.40561438       2.48615098    
 H   -3.55590129       3.88481402       3.18909121    
 H   -3.28873897       5.34054327       2.68877816    
 O   -4.48332119       3.20147562      0.456670403    
 H   -3.98253155       3.70093346       1.12019169    
 H   -3.85333943       2.92852426     -0.225459278    
 O   -2.04019117      0.471442968       3.00188923    
 H   -2.22354293      0.353011996       3.94355464    
 H   -2.89202857      0.546857834       2.55108237    
 O   -4.24792194       2.75472951       4.41657019    
 H   -3.60406971       2.16157651       4.82039690    
 H   -4.97117281       2.19126558       4.11360216    
 O   -5.13245296       4.60229874       6.25181389    
 H   -4.83879662       3.96397805       5.58245039    
 H   -4.45675278       5.29206085       6.27343321    
 O   -1.25961435       4.20276737       5.55121279    
 H   -1.34815586       3.52022457       6.22710562    
 H  -0.977539301       3.77340746       4.73593616    
 O   -3.74897146       6.91503096       3.30735397    
 H   -4.71075583       6.82040882       3.22335291    
 H   -3.53695345       6.84586954       4.24474192    
 O  -0.843983233       3.00138235       2.90958619    
 H   -1.58785152       3.58613157       2.69108891    
 H   -1.21001220       2.10840964       2.98854518    
 O   -2.33834591E-02   2.43416119      0.301385373    
 H  -0.219319955       2.70693016       1.21185720    
 H   0.743262947       2.93259048       2.86663398E-02
 O  -0.642026544     -0.336928040      0.738565087    
 H   -1.01383460     -0.201117486       1.62275374    
 H  -0.265093565      0.516992033      0.493653446    
 O   -6.92790079       4.30905962      0.956621647    
 H   -6.07751894       3.91300011      0.702312112    
 H   -7.38759136       4.51113558      0.145405337    
 O   -5.45463467      0.149364635       6.35549498    
 H   -5.94793272     -0.601957500       6.67506123    
 H   -5.77033854      0.324492186       5.45197678    
 O   -4.46173716      0.612247348       1.53425050    
 H   -4.53193855       1.51319611       1.18701696    
 H   -4.10564947       7.32381269E-02  0.816513360    
 O   -3.01253366     -0.624943435     -0.555186272    
 H   -2.13207364     -0.628218949     -0.138317317    
 H   -3.04972839      -1.38599622      -1.12783754    
 O   -7.74281216       2.86990356       3.26056790    
 H   -7.80324078       3.54811287       3.94430637    
 H   -7.54325867       3.33458829       2.43782091    
 O   -6.44243765       6.32723093       2.97165346    
 H   -6.91917467       5.95603180       3.72255182    
 H   -6.59482145       5.71792459       2.23960042    
 O   -1.84714687       2.29261613       7.62245989    
 H   -2.79416943       2.38822222       7.83084583    
 H   -1.38801944       2.19676304       8.45256042    
 O   -6.12462711      0.777681231       3.77398109    
 H   -5.64664555      0.565666080       2.96106601    
 H   -6.81002808       1.43367732       3.56478238    
          69
 Energy    -249.18935190818831     
  O     11.98745374      8.11950920     -9.86069801
  H     12.35228316      8.88442070    -10.32575882
  H     17.33888483      7.93074362    -16.53768344
  O     13.42937955      7.52404650    -14.91713726
  H     11.29091332      7.76927388    -10.42861937
  H     12.60787948     11.78299652    -14.10238073
  O     18.53729664      9.51688012    -11.53202008
  H     12.65931540      7.89351043    -14.46802038
  H     14.12863456     11.96489078    -14.00164595
  O     15.46318619     11.47816908    -15.25846295
  H     14.19108019      8.04992654    -14.62124555
  H     15.62037221      9.06961097    -13.14304736
  O     11.48440226      8.79338148    -13.40173233
  H     19.19918095      9.98200201    -11.02728415
  H     15.55027453      9.85478000    -14.49277805
  O     14.30716815      5.30542380    -13.49536851
  H     18.73249465      9.68519115    -12.47074426
  H     13.04638850      6.79022524     -9.45804626
  O     15.76877340      9.09345265    -11.34530418
  H     16.33393709     11.50770708    -15.67046980
  H     13.54811439      5.75627443     -8.42127371
  O     13.55201704     10.69251838    -17.04415725
  H     14.82125151     11.27954587    -15.96047097
  H     17.42491225      6.44337768    -11.74065650
  O     16.45242590      4.66477821    -15.11604716
  H     12.08528744      9.20058567    -12.75884370
  H     18.47602479      7.57052763    -11.80657040
  O     17.94647403     11.01342364    -16.50973583
  H     10.96489264      8.13351440    -12.92620283
  H     12.67596516      5.13527367    -10.82147580
  O     14.24723948      7.93917688    -17.50129471
  H     15.00839967      4.92121122    -14.03856963
  H     12.90313352      4.92762401    -12.33270505
  O     17.04838012      8.53742674    -17.22911308
  H     13.92990775      6.02772089    -14.01634136
  H     18.74199172     10.28790933    -14.92723909
  O     13.31496461     11.99003412    -13.48077926
  H     16.70138920      9.33902425    -11.29635390
  H     18.74014940      8.82186992    -14.48409917
  O     15.56667674      8.97096835    -14.10196103
  H     15.71685026      8.13130918    -11.24330475
  H     17.91931396      6.92958910    -13.87617747
  O     13.58822050      5.98839993     -9.34490046
  H     13.71317050      9.78104661    -17.31456756
  H     16.86074140      7.83225122    -14.56484390
  O     18.26276118      6.69568220    -12.15291641
  H     12.73144909     10.69268478    -16.53434858
  H     10.43175750     11.14726943    -15.36473011
  O     12.21852876      4.94863690    -11.65044969
  H     16.89221987      5.52700990    -15.07784318
  H     11.27914590     10.08613870    -14.62884888
  O     19.01588004      9.70412542    -14.20993938
  H     17.15204775      4.01711542    -15.16735354
  H     15.18502220      5.97261952    -12.03287078
  O     17.59030820      7.21635016    -14.74343439
  H     18.39335159     11.44959235    -17.23032367
  H     15.01435413      6.15984920    -10.50300776
  O     11.32294413     10.82233227    -15.26074764
  H     17.62921543     10.15838651    -16.85243513
  H     14.07652767      9.76058411    -11.39098938
  O     15.61256265      6.32983717    -11.24163639
  H     13.89869299      7.69615266    -16.62733514
  H     13.21303182     10.82345738    -12.11914141
  O     13.16457029     10.03410540    -11.55897322
  H     13.93155226      7.27949302    -18.11429640
  H     10.93787180      6.11299838    -11.80759755
  O     10.28973376      6.84063386    -11.82094217
  H     16.11474258      8.34424373    -17.37974522
  H      9.43016754      6.44627772    -11.70240720
          69
 Energy    -249.18923605164485     
  O     11.75531115      9.87126061    -15.19475656
  H     12.13393133     10.74972437    -15.06697857
  H     15.21089595      5.47521475    -15.95652610
  O     16.44896127      6.41468352    -13.24418531
  H     11.53461426      9.52354823    -14.32183103
  H     19.76719334      7.26528305    -13.23694553
  O     17.05618804     11.96467297    -12.40475497
  H     15.87525716      6.47721300    -12.46755921
  H     18.70371904      8.31029944    -13.64094690
  O     17.89616608     12.07781394    -14.95433369
  H     17.32010387      6.75308788    -13.00608094
  H     16.26619119     11.91941459    -15.95648280
  O     13.30004697      5.62769848    -15.78553535
  H     16.14592433     11.66089186    -12.53512710
  H     15.44906328     11.08468167    -16.98329512
  O     15.20511159      9.66288713     -8.99153580
  H     17.30319682     11.66229533    -11.52430359
  H     14.72928099      8.52008662    -15.08785073
  O     14.62080311      6.79339804    -11.22099025
  H     18.50793023     12.79684376    -15.08487171
  H     15.62327335      7.87745016    -13.98414010
  O     14.55574000     10.91388458    -12.93446696
  H     17.64022610     12.09133485    -14.01288741
  H     10.26462803      8.35997772    -12.46622407
  O     17.21867145      7.82547232    -17.24322856
  H     13.32855018      6.55060017    -16.09489501
  H     11.60428008      7.71146622    -12.88637666
  O     16.27583493      6.99004524     -8.97512393
  H     12.69676011      5.16419967    -16.36134352
  H     18.59151308      8.11145749    -11.15180559
  O     17.98975262      9.29299534    -14.93646071
  H     14.46047935      9.60783586     -9.60519719
  H     18.14238028      9.20179675    -10.14782488
  O     16.16343141      5.61830456    -15.91503781
  H     15.48232911      8.75249047     -8.83180048
  H     13.26821229      6.22483921    -12.48070317
  O     18.96954527      7.69512897    -12.93702289
  H     14.20898443      7.66914732    -11.19999662
  H     12.85304331      5.95664034    -13.95744350
  O     15.40233971     11.83339221    -16.37634652
  H     15.12441618      6.71565370    -10.40097225
  H     17.79460301     11.47130147     -9.06344776
  O     15.33841988      8.71784370    -14.36628724
  H     14.83674135     10.14173012    -13.45145475
  H     16.62675608     10.55995865     -9.49902824
  O     11.16461227      8.56323689    -12.70809033
  H     14.03138914     11.47163249    -13.52138380
  H     16.05549787      8.92944732    -17.85726872
  O     18.30465850      8.25451792    -10.24225306
  H     16.87716046      7.00473944    -16.85718563
  H     15.39883241      9.64512977    -19.06278230
  O     12.53046184      6.26243102    -13.10152383
  H     17.68480274      8.28432369    -16.53424623
  H     13.78882632      9.94144754    -11.66868822
  O     17.47675752     10.93796834     -9.78781557
  H     16.60722780      6.43888791     -8.27190550
  H     12.50928573      9.10184618    -11.49903555
  O     15.36407513      9.56767650    -18.11320490
  H     17.05126204      7.38117709     -9.41828704
  H     12.90816718     13.22123762    -15.03909766
  O     13.35368768      9.30573182    -11.08028678
  H     17.04301229      9.14494994    -14.78542073
  H     13.96113494     12.18013169    -15.49386953
  O     13.18387694     12.31669471    -14.92085387
  H     18.10650923     10.24885333    -14.99383721
  H     12.83467641      8.84049233    -16.09667381
  O     13.51253876      8.24863600    -16.46057693
  H     16.34927770      5.75064086    -14.97550916
  H     14.02787957      8.72547966    -17.12142283
          69
 Energy    -249.18879873395645     
  O     16.87737481      8.19126267     -9.83579577
  H     17.38383375      8.42205636     -9.06003643
  H     12.98506219      9.14092092    -15.33872327
  O     11.04229781      9.26612260    -12.47610023
  H     16.38975876      7.38161233     -9.61395163
  H     14.36466370      5.64499089    -13.45654526
  O     12.15064907      3.68256787    -12.50266349
  H     11.43244117      9.11519136    -13.34853386
  H     15.22887268      4.46120188    -12.96840671
  O     14.28989954      5.52789099    -16.25383761
  H     10.46907772      8.51083305    -12.30107020
  H     13.59417644      7.82104245    -13.79543562
  O      9.52520923      6.89992783    -11.91059921
  H     12.97620095      3.97439398    -12.91530031
  H     15.12967688      7.70299324    -13.51730604
  O     12.74766512     10.08923776    -10.56513639
  H     12.37634247      2.94544987    -11.91831360
  H     15.92175712      9.54388019    -10.84728835
  O     16.57297355      4.40091648    -11.67639390
  H     14.41127857      5.07326406    -15.41054169
  H     14.55503565     10.22731919    -11.10211144
  O     15.96053344      7.57306764    -16.80917769
  H     13.34938465      5.73736341    -16.31624964
  H     13.12554025      2.56770539     -9.88519761
  O     13.23890058      4.02330703     -8.82653035
  H     10.12765510      6.40792134    -11.32688481
  H     12.69103355      1.10901702    -10.09921850
  O     11.56072925      6.31397437    -16.27771902
  H      8.65305894      6.82295637    -11.53143174
  H     13.75013273      7.40821896    -11.55854364
  O     14.43622107      9.89083308    -16.04001546
  H     12.11629914      9.85983469    -11.27250584
  H     13.18864885      8.29923012    -10.42395212
  O     12.34271560      8.60871907    -14.84524554
  H     12.30430986     10.70660318     -9.99034284
  H     10.95887093      4.59090546    -13.58433174
  O     14.50294033      4.69083694    -13.56122936
  H     17.12101451      5.18320500    -11.87113817
  H     10.05213385      5.83240071    -13.42362615
  O     14.25837785      7.40632227    -13.22864764
  H     17.16667062      3.66526439    -11.55058317
  H     11.67993161      4.86609400    -11.19942643
  O     15.48011059     10.21753756    -11.37711736
  H     15.36461541      6.82047333    -16.64192384
  H     12.12463607      6.21164636    -10.55181017
  O     12.96699356      1.89319579    -10.56657459
  H     16.40990180      7.38973657    -17.62952608
  H     16.63451843     11.64821129    -13.91968079
  O     13.45111008      7.39631869    -10.63553719
  H     12.51943571      4.54487060     -9.20462948
  H     15.88986708     10.65360632    -12.99932001
  O     10.44697135      5.24590007    -14.07863561
  H     14.02426851      4.57962179     -8.88089396
  H     15.74461705      5.28229385    -10.22872105
  O     11.44407749      5.52190375    -10.52570805
  H     11.13518754      5.89309251    -15.50820985
  H     14.67396987      6.36933086     -9.89475315
  O     16.16209005     10.82009452    -13.92008977
  H     10.96069370      6.21473699    -17.01188894
  H     17.61693846      7.19472608    -12.88333570
  O     15.40142333      5.84480096     -9.52118762
  H     14.96117324      9.16681886    -16.40449568
  H     17.68187585      7.29962861    -11.34520170
  O     17.89104286      6.71920893    -12.08633769
  H     14.98049803     10.30321826    -15.35785216
  H     16.72886535      9.08778218    -14.14493954
  O     16.81227752      8.12729922    -14.21433990
  H     12.03759846      7.89415894    -15.41729963
  H     16.63826704      7.89104899    -15.13504747
          69
 Energy    -249.18879596542982     
  O      0.53934366      0.22323012      4.96428381
  H     -0.31292066     -0.07393556      5.30325351
  H     -3.23077384      3.15928749      0.40148240
  O      1.49551468     -0.31884153     -2.61863573
  H      0.47942701      1.18401393      4.90473104
  H     -2.22153383     -0.82373054      6.85918079
  O     -0.81008232      0.57397169     -1.12319129
  H      0.65657314      0.05511939     -2.32263561
  H     -2.81499336     -0.89220781      5.43366157
  O      1.42955421     -2.94394173     -1.47071276
  H      1.45937067     -1.25681222     -2.38952352
  H     -0.21820374      3.09143681      2.82092157
  O      2.97815551     -1.86600189      0.48059876
  H     -1.01743856     -0.36176276     -0.98111126
  H      0.21542293      2.48183385      1.45758351
  O     -4.69094737      3.04362676      3.44619452
  H     -0.13964565      0.81258245     -0.46859148
  H     -2.28290253      1.57061426     -1.20673144
  O     -3.43255383     -3.55447834      2.51526626
  H      1.79336756     -3.77236886     -1.77081921
  H     -3.33219709      2.30319563     -2.07201894
  O     -0.00809382      3.04793720      4.66733465
  H      1.99736862     -2.63384268     -0.74231682
  H     -2.28037940      0.91625262      3.32239346
  O      3.39750662      0.62423624     -0.91280714
  H      2.54097670     -1.61780022      1.30666955
  H     -1.47712291      1.36683628      2.10842921
  O     -5.55421012      0.34544560      3.05039411
  H      3.29818629     -1.04455054      0.08846014
  H     -0.29670613     -2.52263084     -0.93797142
  O     -4.01529539     -1.51347388      4.40559761
  H     -4.17081718      3.24250717      2.64686200
  H     -1.07098019     -2.12330511      0.35133034
  O     -3.14313911      3.58514138      1.26188351
  H     -5.28064892      3.78139633      3.57775868
  H      1.23848179     -0.53145432      3.46763978
  O     -2.15789966     -0.43506244      5.99094609
  H     -3.64257777     -4.48255904      2.56951109
  H      0.57690249     -1.44989512      2.42882180
  O     -0.48988330      2.97378882      1.90119555
  H     -3.66756135     -3.26490898      1.61524829
  H     -2.60319557      1.26999246      5.42445549
  O     -3.12953224      2.04844027     -1.17553766
  H      0.19368685      3.73664867      5.29520639
  H     -3.37460155      2.36998483      4.57053055
  O     -2.00720164      0.63328402      2.44387975
  H     -0.93634902      2.79020194      4.81645652
  H      2.01619469      1.11931698      0.22709398
  O     -1.11933836     -2.13403405     -0.61670277
  H      2.78970489      0.32951723     -1.61476671
  H      1.26174207      0.46203254      1.41575119
  O      1.37298259     -0.92431776      2.59353311
  H      4.12558774      1.06461229     -1.34182174
  H     -1.82604067     -2.59463381      2.39705681
  O     -2.52032563      2.09273455      4.92406896
  H     -5.26712446      0.22140490      2.13559272
  H     -1.45155126     -1.08579469      2.31814008
  O      1.20843098      1.16512136      0.75220145
  H     -5.39166023      1.27796185      3.23431693
  H     -2.97193705     -2.54198030     -0.39889396
  O     -1.12208144     -1.98271508      2.15290787
  H     -4.63199647     -0.89841090      3.98222314
  H     -4.07038083     -1.64286226      0.18518968
  O     -3.84048566     -2.56913697      0.02291690
  H     -3.90215745     -2.25529641      3.80148640
  H     -3.97159367      0.77171105     -0.06138235
  O     -4.12289162      0.13844026      0.64906394
  H     -2.20006439      3.53812476      1.47282823
  H     -3.41415774      0.29542416      1.29068087
          69
 Energy    -249.18872631494582     
  O     12.10037200     11.97417295    -11.88486345
  H     11.92448968     11.04317127    -11.70949044
  H     18.13896760     12.30444259    -14.71210614
  O     19.50570243      7.71227562    -11.08953022
  H     12.62011878     12.29176606    -11.13520528
  H     12.67817487      7.47809367    -16.07884312
  O     17.59812704     11.21956219    -11.76952249
  H     18.70149464      8.10247822    -10.72352898
  H     13.07107599      7.81846781    -14.62448834
  O     13.13062853      7.29728268    -12.94611471
  H     19.21799871      6.92033114    -11.56114622
  H     16.03036369     10.88202317    -12.65997656
  O     15.99429128      6.86224197    -12.38868447
  H     18.21034314     11.10648315    -12.50923141
  H     14.66287603     11.16649437    -13.37644489
  O     18.51365454      5.65510968    -12.82854456
  H     17.51930341     10.36950666    -11.31675515
  H     13.59515128      9.90776432    -16.12752905
  O     13.58471240     12.41215617    -14.15589940
  H     13.99214838      7.04871940    -12.59167949
  H     13.72816852     11.37705788    -15.66185810
  O     18.01437337      9.22689792    -15.95258112
  H     12.71837324      7.88969044    -12.30552191
  H     20.51711775      8.62473320    -12.18367798
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  H     21.92926990      9.09339711    -12.60799493
  O     16.49075432     11.22200061    -17.26146117
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  H     16.29104608     13.83375916    -14.28761362
  O     19.64729566      7.28339435    -14.69752506
  H     18.88259121      6.18420467    -13.55859155
  H     15.68511827     15.24956674    -14.13504458
  O     17.42628788     12.82462731    -15.10121813
  H     18.82593251      4.76286496    -12.95323100
  H     15.91390636     13.85417706    -12.03810654
  O     13.17411451      8.09891683    -15.55168299
  H     14.15425572     13.18177459    -14.03345240
  H     16.70318126     12.76109397    -11.28200480
  O     15.19867215     10.48470984    -12.95217303
  H     12.96773066     12.35806746    -13.41032920
  H     14.67206982     13.04156385    -10.24117976
  O     13.96701664     10.76265069    -16.37047150
  H     17.63677133      9.86828080    -16.56546437
  H     13.77570503     13.28360619     -9.00288417
  O     21.02074879      9.06060500    -12.89467663
  H     17.25077754      8.85707859    -15.48027501
  H     18.79367436     10.28769777    -14.68689379
  O     15.60862876     14.35202191    -13.82257510
  H     16.15382251      9.14969781    -10.16970429
  H     19.92374005     10.36361557    -13.63629693
  O     16.05123163     13.46584575    -11.16547286
  H     16.61976712      8.08147825    -11.16799439
  H     11.44058902      8.85121858    -10.35302988
  O     13.89222251     12.71251519     -9.75667857
  H     15.58329184     11.03007135    -16.96355301
  H     12.86415247      9.37247140    -10.65749970
  O     19.18492905     10.85979900    -14.01067319
  H     16.42299826     11.51718785    -18.16562511
  H     14.68314026     10.14260823    -11.23582184
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  H     19.14691913      7.86742667    -15.28147648
  H     14.31881760     10.92651304     -9.94997543
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  H     20.23322844      7.85825061    -14.18965172
  H     15.57681304      9.18150833    -14.06466572
  O     15.78722039      8.42424812    -14.63528166
  H     17.11531978     12.32672292    -15.86788647
  H     14.97600942      8.21559495    -15.11343763
          69
 Energy    -249.18827063314689     
  O     -1.36295076     -3.84815011     -6.76425327
  H     -0.60217875     -3.25561872     -6.84151362
  H      0.86867824      0.88655223     -5.26038929
  O     -2.37458750      2.35764793     -0.14391280
  H     -2.06516552     -3.30864260     -6.37988101
  H     -1.91999744      0.59705831      0.54517667
  O      0.63216248      3.65997553     -3.94318368
  H     -2.98486980      2.90998331      0.33904841
  H     -2.21736577     -0.86994266      0.15498466
  O     -1.81094921      2.56191791     -4.98116775
  H     -2.75655504      2.23186527     -1.03043069
  H     -0.74225423     -0.12859864     -4.36278937
  O      0.84059516     -2.16242834     -6.28713762
  H      0.88157422      4.57535614     -4.04157946
  H     -0.21380334     -0.85895050     -5.66005451
  O      1.00635090     -2.54842764     -2.11281122
  H      0.44046966      3.52244206     -2.99855269
  H     -2.04298177     -1.10993094     -1.81437331
  O     -1.41933498     -3.55256383     -3.15065602
  H     -1.53588347      1.70742837     -5.33359977
  H     -2.43500196     -2.58788213     -1.83145863
  O      0.68022249     -1.53972934      0.53450668
  H     -1.00089142      3.01063453     -4.70699187
  H      3.28973438     -1.04265429     -3.55445513
  O      4.15992254     -2.32628112     -4.63131424
  H      1.59177485     -1.65242027     -6.62271845
  H      2.33580435      0.15838269     -3.79711344
  O      1.92498595     -3.94931674     -4.32536853
  H      1.18980647     -2.75679388     -5.61248949
  H     -4.11961929     -1.00604092     -4.00231913
  O      1.38349117      0.72222467     -0.98735929
  H      1.47158576     -1.78500206     -2.48369312
  H     -4.06108748     -0.99239931     -2.47822668
  O      1.71010263      1.30700788     -5.03785983
  H      0.87719952     -2.35319462     -1.17691912
  H      2.78462212      0.19619225     -6.25476986
  O     -1.71648445     -0.31734345      0.77290386
  H     -1.13989664     -4.33156656     -3.64416565
  H      3.60748114     -1.10144803     -6.08656735
  O     -0.72566131     -0.10342740     -5.33413871
  H     -0.61313614     -3.15372105     -2.79324279
  H     -1.60939027      0.81492943     -2.61932191
  O     -2.64897558     -1.74955821     -1.40613357
  H      0.97843643     -1.87008166      1.37768033
  H     -0.21337051      0.41094531     -2.03980621
  O      2.62637740     -0.48423364     -3.13362425
  H     -0.18776097     -1.12358014      0.68776207
  H     -0.73115336     -5.02371727     -5.63892436
  O     -4.43580820     -0.51844396     -3.23233587
  H      3.47348402     -3.01176932     -4.58463815
  H     -0.54759887     -6.44863336     -5.06101695
  O      3.07005710     -0.60370971     -6.71472755
  H      5.00018037     -2.77535339     -4.57893766
  H      0.68001488      2.39476899     -1.09317429
  O     -0.93390777      0.12153333     -2.60980721
  H      1.28037445     -4.63336932     -4.54729764
  H     -0.71131910      3.01176198     -0.86545336
  O     -0.33160652     -5.53260680     -4.90998335
  H      1.65484043     -3.58664596     -3.46866153
  H     -3.72416281      1.10213929     -2.92179553
  O      0.12299782      3.15135366     -1.32699610
  H      1.24432442      0.01309995     -0.34776368
  H     -2.81492562      2.23005871     -3.52298031
  O     -3.14574654      1.84687439     -2.69777874
  H      1.99264020      0.38121627     -1.65671064
  H     -2.26274240     -1.28901603     -5.30912591
  O     -2.84413009     -2.03316131     -5.10993080
  H      1.48275449      2.17730968     -4.68682724
  H     -2.40030786     -2.53507057     -4.41039074
          69
 Energy    -249.18722430307344     
  O     11.55807214     10.53619870    -12.60703473
  H     12.05684673     11.25299747    -12.19970384
  H     14.66376731     13.08630755    -14.55530450
  O     16.12044990      7.19350852    -14.79105165
  H     11.82266929     10.52731815    -13.53754325
  H     15.96401377     10.15482763    -14.54455229
  O     17.71784274     10.29412411    -11.51864039
  H     15.71327132      6.64796255    -14.10378230
  H     15.31714420      8.78769825    -14.29623414
  O     12.41707312      8.03031087    -16.38399261
  H     16.94579349      7.54430841    -14.42879773
  H     11.46525115      8.91559719    -11.99522677
  O     16.38356993      6.81788822     -9.41038180
  H     16.75628998     10.28799211    -11.39323964
  H     10.58835035      7.80582334    -11.36941223
  O     14.95912350      5.89365014    -12.66375074
  H     18.09202506      9.75195315    -10.81292616
  H     18.95963446      7.16749440    -12.58734651
  O     14.98240877     10.26361600    -11.46591439
  H     12.41806180      7.45528905    -15.60284672
  H     19.07851111      7.19207293    -11.05438079
  O     17.66705933     10.63368184    -15.32632288
  H     13.29198066      7.95204494    -16.78107650
  H     12.09091022      7.05023867    -13.25096772
  O     17.13644973      4.77423810    -11.28503109
  H     15.52343448      7.12546871     -9.72591588
  H     13.29814335      6.17505045    -13.61767358
  O     15.89280619     10.82191296    -17.36005617
  H     16.58397314      6.02354230     -9.92064216
  H     18.32864199     13.15847825    -12.96670813
  O     15.17305874      8.00981915    -17.26303257
  H     15.65545617      5.37470254    -12.24309185
  H     17.75736269     11.77767194    -12.58026600
  O     14.91369798     13.25278151    -13.63836942
  H     14.66904382      6.54151514    -12.00527489
  H     18.09896328      9.05800029    -12.90832224
  O     15.19740387      9.73307108    -14.13838256
  H     14.41921802     11.03578252    -11.33783007
  H     18.28188423      9.18260783    -14.41885911
  O     11.46799910      7.99167790    -11.68684101
  H     15.00051111     10.08768970    -12.42067595
  H     17.75930447      7.87914168     -9.48639593
  O     19.08226134      6.59888657    -11.81562208
  H     17.15936021     10.80632419    -16.13390194
  H     19.01858522      8.45054035     -8.79233777
  O     12.52456779      6.61116498    -13.99238792
  H     17.73924164     11.44455591    -14.81068271
  H     13.33721017     13.14459500    -16.75743186
  O     17.66896235     12.51258621    -13.20944125
  H     17.87224769      5.36373973    -11.52949875
  H     13.35435199     11.85647290    -15.89985673
  O     18.32549203      8.54206422    -13.69411679
  H     17.50477712      3.90120009    -11.18098143
  H     14.41215940      8.64389021    -10.92657013
  O     18.56376143      8.41083024     -9.62934412
  H     15.17794636     11.40914860    -17.08688995
  H     13.14640124      7.75891119    -10.94113286
  O     13.90806672     12.58159754    -16.24038979
  H     15.53746060      9.92414159    -17.38145401
  H     13.13577250     13.28498191    -11.02494201
  O     14.09250759      7.74796186    -10.74779484
  H     15.48646809      7.44362684    -17.96521575
  H     13.86564542     12.84396518    -12.31688221
  O     13.33988490     12.52397479    -11.56128508
  H     15.54076728      7.65197527    -16.43832452
  H     12.44639803      9.63617978    -15.65087175
  O     12.70874904     10.42065790    -15.14619702
  H     15.84963289     13.03949189    -13.54776730
  H     13.56556802     10.20096539    -14.75034297
          69
 Energy    -249.18709607529843     
  O     12.03089173      9.06155112    -10.58907438
  H     11.12492113      9.08651448    -10.25840205
  H     15.72084960     14.78547800     -8.36099810
  O     11.53466689      7.36805684    -12.77249255
  H     12.00542833      8.48978942    -11.36719548
  H     11.33819717     12.88452687    -10.30994521
  O     14.43420673     10.31414162    -10.68399628
  H     10.65981563      7.77501825    -12.81052213
  H     12.16182325     12.42677580     -9.07436155
  O     15.64917067      7.93154972    -11.55359958
  H     11.47117789      6.53982310    -12.27763178
  H     12.73035321      8.46204391     -7.56835165
  O     12.25786049     15.97519974    -11.58654344
  H     13.53111722      9.95656921    -10.67556266
  H     12.57915875      8.18615761     -9.07159472
  O      9.31747258      8.65066607     -9.89748371
  H     15.00576090      9.57608302    -10.92622216
  H     12.55373415     10.40602628     -5.82142446
  O     11.62179574     13.26483201    -12.07858734
  H     16.54142855      7.59882340    -11.60075112
  H     12.97207428     10.75156292     -7.26692431
  O     14.83986509     14.71709513    -11.40452857
  H     15.13284538      7.27580538    -11.05125568
  H     13.35508554      5.74582923    -10.51424806
  O     10.46588957      6.30157680     -8.96391732
  H     12.20795063     15.88059863    -10.61830946
  H     13.79624030      6.63024480     -9.33227047
  O     12.25447994     15.41356991     -8.91945377
  H     11.92882163     16.84467634    -11.79643336
  H     14.33855930     11.59751328    -11.94991747
  O     13.91741429      8.34237300    -13.80697101
  H      9.34620366      9.42879142     -9.31801467
  H     13.97255775     11.82643438    -13.44124235
  O     14.94399426     14.36448632     -8.71909546
  H      9.10392378      8.91214887    -10.80026580
  H      9.72304595      9.77183153    -13.02401892
  O     11.31078842     12.79560017     -9.34745354
  H     12.51250483     12.92455683    -12.25022813
  H      8.41878154      8.98100254    -13.27393297
  O     12.79121588      7.76063699     -8.22628874
  H     11.70440116     14.22540245    -12.03897489
  H     10.26112469     11.48478278     -8.60986053
  O     12.44030362     10.14009383     -6.73085242
  H     14.04965745     15.23924838    -11.58951004
  H     10.65305786     10.40244985     -7.59848438
  O     14.11579151      6.20464058    -10.13989939
  H     14.74330599     13.89832312    -11.91017776
  H     10.85935759     11.87268070    -13.05800581
  O     14.17911123     12.28199419    -12.61534721
  H      9.92796816      7.05309568     -9.25421409
  H     11.53470834     10.92721382    -14.06510871
  O      9.19969654      9.00484518    -12.72720286
  H     11.21313494      6.68751775     -8.48964462
  H     13.48794332     10.78215777    -15.73288055
  O      9.94609919     10.66912859     -8.19586174
  H     13.16241598     15.17831696     -8.69393886
  H     13.55899982      9.87741298    -14.47855249
  O     10.71706944     11.06841664    -13.57373463
  H     11.77034108     14.57576786     -8.93284596
  H     11.13991280      5.48431987    -10.32347617
  O     13.30317984     10.76211962    -14.79795258
  H     14.55555555      8.17722226    -13.10400425
  H     11.37700750      4.20821398    -11.16843931
  O     11.60596851      5.13110267    -11.10369701
  H     13.09230407      7.91324691    -13.53872251
  H     14.27084872     12.66772297     -8.46163750
  O     13.81719258     11.81512229     -8.45065795
  H     14.97858311     14.48758194     -9.68525574
  H     14.15872603     11.29206880     -9.19037675
          69
 Energy    -249.18671576708118     
  O     15.78001535      4.64669517    -13.74693506
  H     14.86277816      4.41463751    -13.55737932
  H     15.14797423     10.95366045    -14.48342710
  O     14.37848181     12.09372995    -11.52646804
  H     15.75267935      5.19328606    -14.54152751
  H     16.26642795      8.32031130    -13.45032847
  O     17.07824304     12.17596742    -12.49613255
  H     15.31329216     12.22299317    -11.72374055
  H     16.24676056      7.31547743    -12.26266831
  O     11.97076258      8.11341492    -16.72675605
  H     13.97237209     11.82068478    -12.36097154
  H     13.11003330      6.77314461    -11.19250422
  O     15.48496214      5.98684883     -9.26578724
  H     16.79819844     11.84393481    -13.36559880
  H     13.93009337      5.84709838    -10.27140559
  O     12.79997521      6.82143965    -14.38245924
  H     17.66071925     12.91318292    -12.66149944
  H     16.65727001      5.29670071    -12.32788547
  O     13.43608538     10.79177161    -13.82658734
  H     12.13969216      7.60022942    -15.92455401
  H     16.53898850      5.71638856    -10.81366519
  O     14.63978144     10.57727833    -17.30430242
  H     12.72728625      7.96054213    -17.30634271
  H     12.45147598      3.56697249    -12.97799898
  O     17.01973026      8.56302261    -15.05118026
  H     15.56513909      6.95202856     -9.15661173
  H     13.04171327      4.79661703    -12.24155625
  O     15.23607096      6.58395443    -15.81757577
  H     15.68438800      5.59741694     -8.41863550
  H     16.83858108      9.24643692    -11.53664944
  O     19.54829483      7.79834234    -14.41935633
  H     12.84322786      7.40706967    -13.61670499
  H     17.43205277     10.65617621    -11.38388449
  O     16.04362560     11.09647266    -14.82305622
  H     12.75849964      5.91939671    -14.03802664
  H     18.56627805      6.93020771    -11.61790500
  O     15.86550142      8.14228467    -12.58965452
  H     12.84848892     10.81678166    -14.59279531
  H     18.76628617      8.43717504    -11.34846032
  O     13.17941302      5.86472681    -10.87904815
  H     13.25898754      9.97639915    -13.34355348
  H     14.85262442      9.19943264     -9.26397716
  O     17.04748346      5.83822819    -11.62419373
  H     13.74600345     10.78785893    -17.00668037
  H     16.35771674      9.11953192     -9.57765751
  O     13.00092443      4.33619341    -13.09964887
  H     15.22955585     10.87572888    -16.60266366
  H     14.68313098      7.91511637    -19.05639367
  O     17.41186210      9.78633000    -10.97024380
  H     16.50510302      7.82391325    -15.40108378
  H     14.61303004      8.90803111    -17.87264684
  O     19.20087978      7.65500840    -11.70924920
  H     17.93683116      8.27907801    -14.91815417
  H     13.74838801     10.92636057    -10.40876075
  O     15.64710340      8.68159833     -9.08997000
  H     14.43293964      6.70381353    -15.29162566
  H     12.70461685     10.56549831     -9.32344834
  O     14.47120091      7.97933742    -18.12905141
  H     15.03155068      6.93280925    -16.69502783
  H     11.88795054      9.81123719    -16.39906043
  O     13.35189034     10.18715331     -9.91257181
  H     20.34036639      7.33416252    -14.67480878
  H     11.20578058     11.19555188    -16.54043453
  O     11.98363989     10.76087534    -16.20231670
  H     19.51020670      7.75262887    -13.44868396
  H     13.15273308      9.04036722    -11.34266798
  O     13.24787391      8.48820420    -12.12987753
  H     16.45022171     10.22432165    -14.95090388
  H     14.20309615      8.35935290    -12.27442409
          69
 Energy    -249.18663447247678     
  O     12.76512620      9.72227546    -11.14609601
  H     13.42863003      9.96057016    -10.48486788
  H     15.34206103     14.52224805     -9.16378283
  O     11.86523783      6.14379522    -11.51075211
  H     13.11984660      8.98365338    -11.65220636
  H     11.53112737     12.80017396    -11.23578458
  O     12.06802416     11.88488541    -12.68147946
  H     11.82934832      6.44677399    -10.58605546
  H     10.32451226     12.78947254    -10.27898118
  O     14.59502378     10.46008112     -9.19724391
  H     11.51872326      5.25564143    -11.51958736
  H     13.05808905      9.12772939     -7.14904493
  O     14.78006178     15.30468522    -12.59944223
  H     12.89757286     12.21728482    -13.04291548
  H     14.09357263      8.14439946     -6.55191660
  O     11.76029731      7.10876033     -8.98986309
  H     12.29377849     11.08139455    -12.18656605
  H     11.26719885     10.10819931     -7.80210328
  O     14.64409605     12.63295092    -13.40459412
  H     14.46557095      9.73293321     -8.57627120
  H     12.20511243     11.22734907     -7.32497363
  O     16.33245543     14.05994004    -10.52710450
  H     14.07879747     11.21309002     -8.87064492
  H     15.62748163     11.05040938    -10.54507542
  O     10.53898247      9.57342723     -9.42811864
  H     14.05012706     15.38854672    -11.95980909
  H     16.30720680     10.54746704    -11.83514337
  O     12.89595742     15.43390660    -10.64808903
  H     14.85389671     16.14391594    -13.04529165
  H     10.87212921      7.46642988    -12.64993942
  O     14.81576168     10.25998944    -14.86935229
  H     12.49984501      7.41959790     -8.45614535
  H     11.23187153      8.26953527    -13.91298068
  O     14.69043469     14.80141073     -8.49557167
  H     11.16362378      7.86712801     -9.06859056
  H      9.76062949      9.76407613    -12.96085281
  O     11.19858739     13.17527246    -10.40597443
  H     15.11588771     12.21540099    -12.66913274
  H     10.34255076     11.19166004    -12.98786752
  O     13.74662128      8.47484182     -7.37630868
  H     14.70179433     13.58613917    -13.26640221
  H      7.89051187     11.76078083    -10.32178609
  O     11.84123021     10.36995939     -7.06807374
  H     15.95639602     14.52511709    -11.28511091
  H      8.98242078     11.27174000    -11.30656705
  O     16.07868923     11.34851648    -11.34859143
  H     16.40803426     13.13382592    -10.78949250
  H     13.45128390      9.18045702    -15.03785004
  O     10.53166758      8.12478322    -13.26441747
  H     11.24429872      9.63151275    -10.08957778
  H     12.71208461      8.15213377    -15.92110450
  O      9.52968278     10.69430418    -12.82744851
  H      9.85677297     10.19906641     -9.69649367
  H     17.07356058      8.31709288    -12.89131612
  O      8.82548054     11.59425350    -10.39858940
  H     12.19202424     14.77651059    -10.57669409
  H     15.54815198      8.38672016    -12.65807241
  O     12.80225212      8.45481963    -15.02108653
  H     13.42153581     15.34899765     -9.84286344
  H     13.33345366      6.95271526    -12.21814650
  O     16.34336057      8.92552854    -12.80652710
  H     15.46999618      9.83362979    -14.30353965
  H     13.57410487      7.78929056    -13.50175827
  O     13.94093007      7.58240385    -12.62969780
  H     14.72986522     11.16093530    -14.53001787
  H     13.57937122     13.34794087     -8.28877558
  O     13.01372351     12.57052636     -8.37192401
  H     15.15369498     15.35085041     -7.86949831
  H     12.35629180     12.76727634     -9.05464288
          69
 Energy    -249.18618299950938     
  O     12.23717348     11.58638862    -14.97612808
  H     12.21929857     10.71624116    -15.40104704
  H     18.37925307      6.99794426    -13.29462053
  O     15.17788001      6.69212778    -12.97148465
  H     13.05014430     12.00645886    -15.27731511
  H     15.34111540     11.16721869    -16.99828397
  O     18.05123873     10.48855660    -12.84480478
  H     16.12357043      6.53954675    -12.87215903
  H     16.18105584      9.87447680    -17.16036436
  O     16.86820355      8.40418536    -16.11293606
  H     15.06942696      7.51082358    -13.48349606
  H     14.98297447      9.85828375    -14.00662487
  O     11.27093453      6.86855220    -14.74520144
  H     18.24528602     10.33101018    -11.91176532
  H     14.00680659      9.03669221    -14.92273898
  O     15.86876917     10.39651571     -9.15427815
  H     18.42414261      9.75242882    -13.34043170
  H     11.73930464     11.34971563    -13.33789998
  O     13.74042021      7.84983752    -10.93156800
  H     16.17653416      8.65873492    -15.48332839
  H     10.74077640     11.70076117    -12.20976033
  O     15.55949624     11.45230631    -13.30401665
  H     16.48631054      7.67460992    -16.62475199
  H     17.83672674      6.95495691    -10.90068674
  O     15.32299695      6.55190151    -17.36875260
  H     10.42828830      6.42625578    -14.79966455
  H     18.06860007      8.22607769    -10.05481007
  O     15.38108113      7.61013409     -8.66557076
  H     11.29064812      7.32892066    -13.88638191
  H     12.12698804      8.03986219    -11.82923651
  O     13.81783672      5.59885269    -15.21276772
  H     15.62991664      9.51483948     -8.84138079
  H     11.34251484      9.22190395    -12.43489161
  O     17.99156234      6.34616660    -12.68998165
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  H     12.81829379      8.84987089    -16.88469204
          69
 Energy    -249.18613690715202     
  O     -1.03962841      3.63118278      2.66542184
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  H     -2.94382428     -0.33626554     -3.20237503
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  H     -1.56102329      3.03121705     -3.71225658
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  O     -4.32792262      4.44373221     -2.54745726
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  H     -1.45412277      5.25417630      3.34809952
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  O      3.51760572      6.15603093     -0.72631505
  H      0.66502187      8.30217294      1.21484191
  H      2.87751806      6.78283792     -1.08173369
          69
 Energy    -249.18612072702780     
  O     12.19678421     12.07936661    -13.55754001
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  H     13.91490333     10.09570924    -11.59980179
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  H     19.32671199      8.29623673    -14.85117662
  H     14.73838672      7.66573553    -14.25538327
          69
 Energy    -249.18608893960572     
  O     -6.16533081     -2.15412816      5.64184266
  H     -7.01303021     -1.93082067      6.04327847
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  O     -8.09957273      3.89199119      2.44815461
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  H     -7.74481660      4.53647307      1.82309243
          69
 Energy    -249.18587181188886     
  O      1.62075169     -0.03060855      4.89798293
  H      0.79630245     -0.39244499      5.26780403
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  O     -3.46086131     -0.55538278      0.19810608
  H     -5.37546033     -3.20015039      3.78637890
  H     -1.88160618      4.36215341      4.96291143
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  H     -4.82242667     -0.85038262      3.52728365
  H     -3.00431423     -3.51489511      0.75743597
          69
 Energy    -249.18578640291298     
  O     12.20638680     12.31042129    -13.53236749
  H     11.78232384     13.16402904    -13.49224472
  H     19.55832985     12.17437083    -15.88579731
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  H     12.99839437     12.41714057    -14.08603604
  H     13.24147788      8.86610514    -17.32661264
  O     15.64283616     10.32176200    -11.75040425
  H     18.94913835     10.76681222    -13.87339000
  H     12.28845927      9.81618375    -16.55044312
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  H     15.89458231      9.36195901    -14.95471588
  O     13.59795569      7.64605334    -14.45436504
  H     15.93318131      9.49102586    -11.34917838
  H     15.56796720      9.95226220    -13.52126739
  O     14.80463129      6.13925111    -12.48544790
  H     16.28351236     11.01273173    -11.54562849
  H     13.95769073     11.04895736    -17.67734702
  O     18.76175069      7.85452514    -12.02296363
  H     11.10370821      9.37795143    -14.34854203
  H     14.35570503     12.17120749    -18.66560869
  O     14.45993551     12.35941984    -15.09897873
  H     11.48357341     10.84600185    -14.56745184
  H     13.29651671      9.07281123    -10.15937821
  O     16.23614787      7.82842949    -10.77341320
  H     12.78757768      7.81102984    -13.95634062
  H     14.52936508      8.18874581     -9.85028593
  O     17.18533500     10.67794241    -17.25077567
  H     14.09749218      8.47665855    -14.45683495
  H     17.53648018     12.88495147    -14.51254363
  O     17.21466336      6.54622251    -14.03804001
  H     14.44352975      6.64425093    -13.23001582
  H     16.01663667     13.09869441    -14.33788892
  O     18.79190507     11.83284858    -15.43272767
  H     14.03749748      5.91933199    -11.94431931
  H     17.75613201     13.04366655    -10.90181174
  O     12.89264201      9.76328999    -17.30489008
  H     19.63484441      7.57358516    -11.76189671
  H     17.26770433     12.78223249    -12.35045676
  O     15.24702527      9.84595898    -14.42697957
  H     18.85595855      8.74928438    -12.39616081
  H     12.57741580     11.09242329    -12.12690878
  O     14.58872593     11.77741806    -17.82962607
  H     14.72438896     11.45471842    -14.86189842
  H     13.86395307     10.39666690    -11.64720407
  O     13.57963074      8.27244425     -9.69924803
  H     14.46082759     12.37658167    -16.06355042
  H     16.92127906      7.54095490    -15.50060145
  O     16.87437784     13.30036390    -13.94388802
  H     17.16128355      7.78670756    -11.04786257
  H     15.86057469      7.77381326    -16.61468980
  O     17.52654185     12.35116470    -11.51426680
  H     15.75595055      7.21833604    -11.35343020
  H     11.60721558      7.47937575    -12.18088398
  O     12.89773749     10.36860996    -11.57502273
  H     17.05629791      9.75069426    -17.00695971
  H     11.95540687      8.97970618    -12.31586544
  O     16.63465156      8.16161318    -16.18763618
  H     16.32106408     11.03092842    -17.49186455
  H     11.91858771      5.59879247    -10.35182228
  O     11.50852878      8.24319362    -12.76142007
  H     17.81042315      6.94244886    -13.38999667
  H     12.76550588      6.89158008    -10.41308578
  O     12.37703180      6.17959930    -10.95316836
  H     16.46955313      6.20216935    -13.53247530
  H     13.85424907      7.20320075    -16.12797688
  O     14.11577917      7.15924991    -17.06523484
  H     18.22845750     11.42185479    -16.11254190
  H     13.82954145      6.31074689    -17.39321733
          69
 Energy    -249.18575850850240     
  O     13.57057785     11.86906054     -8.54371211
  H     13.57261185     11.74110693     -7.59862998
  H     13.57513926     13.24783636    -12.55232335
  O     11.09639188     10.90611485    -15.20187342
  H     13.76102734     11.00028882     -8.94356980
  H     11.96613415     13.89417749    -15.72212535
  O     13.95296279      9.50165662     -9.78725514
  H     11.68754939     10.92948004    -15.96419666
  H     12.77656589     13.02375047    -16.70690902
  O     18.51082608     12.94915981    -13.47948604
  H     11.06425494     11.80782498    -14.84885893
  H     15.36776201     11.81629172    -12.78517831
  O     11.53444959     12.48182677    -10.38654354
  H     14.67115662      9.22821858    -10.36855367
  H     14.06683476     11.20851141    -13.40039428
  O     11.51748513      9.75592499    -11.18479606
  H     13.12371095      9.35695991    -10.26207706
  H     16.55925724     12.97610552    -15.76529052
  O     12.97434849      9.76575234    -13.52977635
  H     18.12517072     12.67104089    -14.33012488
  H     16.77425621     11.47541321    -15.99780798
  O     14.97933092     15.61625087    -11.16428601
  H     19.44843990     13.04662657    -13.62157385
  H     13.99737142     10.79567169    -16.87185957
  O      9.43804629     10.07983853    -12.98290023
  H     12.11895527     12.33828772     -9.63214930
  H     13.07079209     10.98346510    -18.08748534
  O     15.12329124     13.96997957    -15.21300429
  H     12.04034559     13.02418357    -11.01125019
  H     16.97612705      8.46272449    -10.96780055
  O     10.99206986     13.47761396    -14.07923902
  H     11.52815631     10.67555147    -10.88624357
  H     16.54468934      9.84897592    -11.50068904
  O     12.99204637     13.93992898    -12.20310572
  H     10.72866778      9.67127401    -11.74045085
  H     15.80431153      8.61863857    -13.25653076
  O     12.64096234     13.93239407    -16.41094119
  H     12.53244486      9.68861811    -12.67466849
  H     14.46476090      8.87493240    -13.94965179
  O     14.58153582     12.01977424    -13.30696548
  H     12.30909551     10.08467654    -14.15315487
  H     16.05833355      9.40962021    -17.06888651
  O     17.24250714     12.28954620    -15.78422570
  H     15.61756519     15.50233168    -11.89292160
  H     15.58684804      9.50224179    -15.60418338
  O     13.14362538     11.15901135    -17.15112067
  H     15.04266221     16.52453065    -10.88295736
  H     16.53770402     12.14405265    -11.02017954
  O     16.26748472      8.91976522    -11.41461988
  H      9.84865573     10.21700780    -13.84564244
  H     17.50598256     12.01767125    -12.25508840
  O     15.38724851      8.63260270    -14.12456259
  H      9.20262497     10.96098063    -12.66611039
  H      9.95941544     12.68284283    -11.28900811
  O     15.62729369      9.99066051    -16.44599789
  H     14.30098778     14.13221669    -15.69177759
  H      8.50984623     13.18156437    -11.47215673
  O     16.84696505     11.55276817    -11.72533127
  H     14.93489478     13.25318064    -14.58733028
  H     17.37166399     14.51659548    -13.21958989
  O      9.23453980     12.76298449    -11.93062476
  H     10.24178496     13.34348819    -13.48844559
  H     16.09975174     14.91235963    -13.98609298
  O     16.64803365     15.15211066    -13.22442598
  H     11.72067083     13.74791862    -13.50124186
  H     14.99761489     12.82404921     -9.38018740
  O     15.74828295     13.19204501     -9.86124592
  H     13.56505254     14.63026911    -11.85046549
  H     15.47222682     14.05322947    -10.19728848
          69
 Energy    -249.18571494462901     
  O     13.39643227      5.31915243    -16.63783853
  H     13.27824512      5.19429031    -15.68626637
  H     19.74076555      4.46457430    -14.51777719
  O     17.34029172      6.05983628    -11.84084668
  H     13.38743737      6.27428476    -16.76659382
  H     18.88195243      7.05035459    -16.06942633
  O     19.68166969      4.88906290    -17.90217099
  H     18.24195929      5.84124210    -12.10678385
  H     19.91125971      6.58835438    -17.10579658
  O     17.00021344      5.76550204    -18.70746318
  H     16.75616263      5.40287005    -12.25085481
  H     16.79408713      7.12527001    -16.23641212
  O     13.15697638      7.69007902    -11.21705007
  H     20.27939854      4.36093849    -18.42465308
  H     16.99405090      7.21019731    -14.70387747
  O     13.26929186      5.42627405    -13.85152831
  H     19.69693452      4.51756874    -17.00199693
  H     12.83459509      8.78719718    -16.79025495
  O     16.62248010      8.30883508    -13.30275868
  H     17.89456665      5.47572246    -18.49279695
  H     13.63738785      8.24333539    -15.58985958
  O     16.82149908      3.93375417    -15.44059038
  H     16.41871394      5.03083070    -18.47503764
  H     14.68605563      4.94815309    -10.11359664
  O     11.89424288      5.11121606    -11.41551533
  H     13.95201349      7.44493005    -10.72812379
  H     14.79233249      3.96238047    -11.28835877
  O     20.43391657      7.94115234    -13.89405808
  H     12.59346561      6.90665674    -11.20274886
  H     20.13575645      6.39709649    -13.17305411
  O     15.25049652      3.71707258    -17.76161962
  H     13.51053852      6.36352056    -13.84075385
  H     20.66263013      5.21270516    -12.33001467
  O     19.58015329      3.96365587    -15.32409402
  H     12.66337038      5.28291545    -13.11420016
  H     16.07817093      3.93503935    -13.78620486
  O     19.72373159      7.29875603    -16.48344700
  H     16.95078968      7.63127230    -12.69608363
  H     14.79794488      4.63358036    -13.29229706
  O     17.17461724      6.66271169    -15.47685661
  H     17.30139502      8.98509750    -13.42348237
  H     16.24450080      6.49191613    -10.47975058
  O     13.53115728      8.17908857    -16.55367855
  H     16.31049851      3.70320666    -16.22473239
  H     15.92340146      6.99938436     -9.05736500
  O     14.27282090      4.16481077    -10.49833455
  H     16.93824111      4.89852288    -15.46440952
  H     16.37744715      7.36814987    -18.15256554
  O     19.90848601      5.51337037    -12.83173402
  H     11.13182721      4.66289401    -11.06088073
  H     15.23423680      8.15353405    -17.39673166
  O     15.62025275      4.22451573    -12.98586304
  H     12.67974322      4.68839217    -11.02386613
  H     13.54566079      8.15196642    -12.92255416
  O     15.52109728      6.66330757     -9.85478703
  H     20.38708546      7.72677749    -14.83787235
  H     14.88232474      8.28652346    -13.68197577
  O     16.17328983      8.15004209    -17.61459239
  H     19.91354548      8.74541233    -13.79122906
  H     18.74591000     11.07368603    -13.80703586
  O     13.93085048      8.16054647    -13.81148053
  H     14.54412825      4.27915312    -17.39335734
  H     18.46543961     10.07357985    -14.95420844
  O     18.59154388     10.15116082    -13.99039198
  H     14.82130968      3.02160617    -18.25199349
  H     17.50208264      9.35925430    -17.04661065
  O     18.30885969      9.71359553    -16.64955715
  H     18.63033024      3.77240701    -15.32519474
  H     18.96191750      9.00827898    -16.75651409
          69
 Energy    -249.18485280411733     
  O     17.28727514     10.15425205    -10.98422723
  H     16.50499935     10.02803953    -11.53727710
  H     17.97948271      4.24664915    -13.44410705
  O     14.48296699      5.42026103     -7.04595681
  H     17.99598108      9.60257800    -11.34421685
  H     15.28953213      5.75416617     -8.68976017
  O     12.48394686      7.36450018     -7.70608434
  H     14.40578630      4.62147665     -6.53175083
  H     15.81194009      7.10161198     -9.24449250
  O     15.03375961      9.52642399    -12.44422173
  H     14.88149840      6.09281701     -6.46329047
  H     18.45837485      6.75036462    -13.94308182
  O     19.39637695      8.49519849    -11.65359617
  H     12.72103488      8.05895385     -7.07972694
  H     18.99777389      8.07889651    -13.40584319
  O     20.88872484      9.67757873     -9.58082942
  H     13.07546376      6.62565664     -7.52056836
  H     16.20471746     11.39644726     -7.33818086
  O     18.28045130      6.21060143    -10.50389159
  H     15.35933369      9.35510790    -13.33686320
  H     16.97605036     12.26821822     -6.32639215
  O     11.85444716      8.17953923    -10.20279708
  H     14.71967075      8.67458311    -12.10784530
  H     16.15704747      8.95181552    -15.77982335
  O     13.27262923     10.67326572    -10.46350890
  H     19.03137598      7.70536015    -11.22611781
  H     17.06128949      8.36366468    -14.67176118
  O     14.63781045     10.75311119     -8.08460440
  H     20.04310054      8.87728962    -11.04835332
  H     16.69917165      9.20179796     -9.57476682
  O     13.43305477      9.44606471     -5.99368441
  H     21.75227485     10.07129662     -9.49474068
  H     16.84576218      8.66977219     -8.09932311
  O     17.85856560      5.12104468    -13.08353906
  H     20.23705993     10.37400445     -9.38079982
  H     18.29090512     11.17745116     -9.84643669
  O     15.66748396      6.16788005     -9.47432890
  H     17.39664941      6.13082257    -10.11933781
  H     18.34458274     11.59444052     -8.36614449
  O     18.59327086      7.67465163    -14.18567379
  H     18.23452000      5.74276455    -11.34845799
  H     16.29614390      7.85368105     -5.76500320
  O     17.07824021     11.54647723     -6.94262005
  H     12.05106853      7.87581618     -9.29852892
  H     14.79321202      8.15677932     -5.56252335
  O     16.15139554      8.64418381    -14.87750190
  H     10.92081583      8.04383201    -10.34159976
  H     14.58205071      6.65773910    -10.83468892
  O     16.25531488      8.72099702     -8.86209278
  H     12.70731597      9.89542540    -10.37417627
  H     13.23185985      7.36579649    -11.14144672
  O     18.89572296     11.46076091     -9.14466479
  H     13.84814348     10.48206119    -11.21425348
  H     20.07496296      8.24646114     -8.65123910
  O     15.44686459      7.44767404     -5.54327388
  H     15.15271818      9.96691230     -8.32945602
  H     19.17751205      7.01437659     -8.90866441
  O     14.05204654      7.05254611    -11.54173064
  H     14.09869086     10.93803519     -8.86629238
  H     17.75766466      9.70713704     -6.54418698
  O     19.50406835      7.60031252     -8.21652960
  H     12.91977597     10.02659919     -5.43764739
  H     18.47275389      8.36884768     -6.99052620
  O     17.73229311      8.74574535     -6.48788497
  H     13.80710746      9.99283306     -6.70459734
  H     15.55537151      6.89980909    -14.26880928
  O     15.41340948      6.08293358    -13.77574728
  H     16.95048566      5.39311188    -13.30910993
  H     14.83332930      6.32037258    -13.03922063
          69
 Energy    -249.18453513887863     
  O     17.43224647     18.18343709    -15.34770492
  H     18.37307523     18.31062360    -15.17002749
  H     20.26692243     15.00058871    -18.29710273
  O     22.81055338     12.99841569    -14.23815877
  H     17.36848312     17.88066840    -16.26412269
  H     14.63456647     12.89622649    -14.18561968
  O     15.61488825     14.29931249    -13.66742352
  H     22.88269402     13.96496584    -14.13893707
  H     13.33707355     12.06435885    -14.27993877
  O     17.64831763     12.67697939    -17.77827837
  H     23.53483122     12.61592617    -13.75039945
  H     22.73414718     16.19840064    -14.79770244
  O     16.47122483     10.76006448    -13.12786405
  H     16.34997101     13.88494913    -13.18978330
  H     22.17259472     16.05492075    -13.36249007
  O     15.67981960     11.06753322    -16.78770902
  H     15.67363433     15.24963942    -13.50552984
  H     18.57933663     13.03818705    -12.82129939
  O     21.97846950     12.49680389    -16.94771383
  H     18.37143102     12.29642854    -17.26084967
  H     17.31712967     12.22001318    -12.46171368
  O     22.31249322     17.12261700    -16.41985342
  H     16.87506039     12.11682816    -17.61128558
  H     18.05456834      8.69721236    -15.56409239
  O     16.19503895     17.00839062    -13.24954245
  H     15.64238606     11.05903440    -13.52092713
  H     18.43477724     10.18852273    -15.69403246
  O     20.01959803     13.09629644    -13.87061519
  H     16.93192449     10.28477074    -13.83006554
  H     16.89723645     16.18950567    -17.26794615
  O     18.72790323     14.72972461    -19.31694076
  H     15.11495187     11.40959437    -16.08431514
  H     17.81308495     16.41358095    -18.45797820
  O     20.89267091     15.06776785    -17.56554573
  H     16.27915635     10.44252434    -16.35936800
  H     21.12669872     17.31652327    -11.46271759
  O     14.26931535     12.04601269    -14.48205777
  H     22.37823171     12.63191781    -16.07892776
  H     20.01614699     16.46719916    -12.11886288
  O     22.80619138     15.68036792    -13.98744013
  H     21.71662361     13.37406085    -17.25612865
  H     20.91301799     17.85108107    -15.35828158
  O     17.73293403     13.08797712    -12.35285419
  H     22.91974345     17.56383434    -17.00831589
  H     20.44283199     17.75583618    -13.87698597
  O     17.72311026      9.58170261    -15.43029866
  H     21.87936028     16.42213679    -16.93634052
  H     18.20010979     14.87668802    -11.87270230
  O     17.26839965     16.89037834    -17.82609498
  H     15.65530975     17.67806887    -12.83728923
  H     17.68118667     16.26576345    -12.30109703
  O     20.87177368     16.90253465    -12.28331491
  H     16.60229972     17.42510896    -14.03013893
  H     20.41602704     11.68215094    -16.53482173
  O     20.15629897     17.97938100    -14.77284362
  H     20.97849755     12.99371566    -13.87416292
  H     19.59884868     12.00035367    -15.27523615
  O     18.42617000     15.81485272    -11.88570123
  H     19.81948925     13.93272041    -14.32075894
  H     19.47690951     16.23497989    -15.08798462
  O     19.56557411     11.50803804    -16.10715371
  H     18.30538630     13.98961186    -18.84997292
  H     18.40960997     15.21257534    -15.58842320
  O     19.33165235     15.30957788    -15.31375117
  H     18.59399737     14.56863297    -20.24796052
  H     16.28880621     14.50313348    -15.35474074
  O     16.75376578     14.75535291    -16.16009682
  H     20.35114340     15.08770101    -16.76045421
  H     16.95889894     13.95894480    -16.66685289
          69
 Ord_Energy   -249.184464    
 O    2.91624236       2.46616840      0.654549301    
 H    2.05549383       2.49328828       1.09749913    
 H    3.14732742       3.37433982      0.473501772    
 O    1.60781240      -3.01550841      -3.41792011    
 H    2.20320845      -3.62113428      -3.85104561    
 H    1.56805813      -3.28181338      -2.48071218    
 O   -4.14982557       3.89963222      -2.69419312    
 H   -3.50858355       3.61482477      -3.37036657    
 H   -4.42483902       4.78080940      -2.93250012    
 O  -0.205073506     -0.434874833     -0.810491800    
 H   0.554010689     -0.496949404      -1.40547013    
 H  -0.520923674      0.473175377     -0.883921206    
 O  -0.235446006       1.45392716      -3.60206699    
 H  -0.265176088       1.88655841      -2.73600411    
 H  -0.912724078      0.758668780      -3.58342290    
 O  -0.625797510       2.32402134     -0.981443942    
 H  -0.171689168       2.38482523     -0.131745547    
 H   -1.56007588       2.50489378     -0.815229416    
 O   -2.45402384       2.48165154       2.22097850    
 H   -2.96459126       3.04082632       2.80149174    
 H   -2.83674502       2.57663012       1.33251405    
 O   -2.31590223     -0.400990009       2.37670803    
 H   -1.36342299     -0.565112352       2.34266400    
 H   -2.42076087      0.556250632       2.40786409    
 O   -1.43140197      -2.89320040     -0.727162480    
 H   -1.03895795      -2.00775886     -0.799453199    
 H   -2.24785113      -2.77236891     -0.231735125    
 O   -5.49656487       1.38913143      -3.18856573    
 H   -5.09585047      0.849492133      -2.49318624    
 H   -5.21868706       2.29471684      -3.00460863    
 O   -3.71752667      -1.94996500      0.660175741    
 H   -4.41463280      -2.40593529       1.12376857    
 H   -3.24020767      -1.41612852       1.32125735    
 O   0.431452423     -0.580516636       1.85274911    
 H    1.21391177      -1.14122498       1.89296257    
 H   0.195812032     -0.553903341      0.911191821    
 O   -3.83500218       5.27624004E-02  -1.32553768    
 H   -3.23499131     -0.179206356      -2.05011177    
 H   -3.85065532     -0.680099785     -0.699707150    
 O    1.82185864     -0.302336693      -2.73483968    
 H    1.77524722      -1.18080235      -3.13496399    
 H    1.24642229      0.296482682      -3.22792697    
 O   -4.08112717      0.689589858      -5.41185141    
 H   -4.69143867      0.907013655      -4.68445015    
 H   -4.61565542      0.415240139      -6.15159035    
 O    3.36771250      -9.63865221E-02 -0.391269922    
 H    2.96162844     -0.104384810      -1.26726580    
 H    3.28019667      0.804617703      -5.19616306E-02
 O   -2.47499967       2.93535995      -4.60386848    
 H   -2.96496916       2.22817636      -5.04186535    
 H   -1.61502945       2.56041050      -4.37744617    
 O   -3.34034109       2.57470846     -0.377663791    
 H   -3.53909278       1.66353190     -0.645926833    
 H   -3.65742731       3.14843559      -1.08665657    
 O    1.30672705      -3.61159754     -0.789309978    
 H   0.359299898      -3.52934074     -0.617696166    
 H    1.76356161      -3.16958570      -6.38935119E-02
 O   -1.25774562      -2.95636868      -3.53459668    
 H   -1.41601443      -3.10772848      -2.59191966    
 H  -0.302644491      -3.02631903      -3.64946914    
 O   0.331014276       2.19638443       1.68440056    
 H   0.452447444       1.24909985       1.85148323    
 H  -0.558517754       2.41124940       1.98888552    
 O    2.69537044      -2.12754893       1.23895848    
 H    2.99395728      -1.40327251      0.656713188    
 H    3.46915340      -2.45346165       1.69001806    
 O   -2.27795959     -0.437875450      -3.56736135    
 H   -2.85780501     -0.221796542      -4.30722618    
 H   -1.95541549      -1.34631348      -3.66597867    
          69
 Energy    -249.18434936298803     
  O     12.53838025     10.07081174    -16.47547580
  H     12.17360785     10.01854991    -15.58266748
  H     20.41549203      6.57949927    -14.71595327
  O     15.79074539      6.19096200    -12.55383573
  H     13.29319231     10.66863548    -16.43975540
  H     17.82979928     10.11118577    -16.56162164
  O     17.80325447     10.37224616    -12.62482667
  H     15.08711655      6.57947812    -12.01519913
  H     17.89260198     10.62061986    -18.01759975
  O     13.10422323      5.47744909    -15.25120274
  H     16.61969210      6.63960899    -12.33429247
  H     16.38991335      7.59038966    -15.19990056
  O     14.77855796     10.70419710     -9.63980180
  H     16.94423383     10.54336707    -13.03944345
  H     15.53644862      7.39933947    -13.93787754
  O     13.82417449      7.52377698    -11.18665052
  H     17.76207456     10.73427748    -11.73143733
  H     11.53377972      8.69821929    -13.72752158
  O     15.41177892     10.57785125    -13.94534996
  H     13.95358212      5.04002056    -15.13457662
  H     10.43304197      9.77971017    -13.82421852
  O     16.37553205      7.63459205    -17.99060100
  H     13.24080414      6.13710605    -15.94576022
  H     17.85576196      7.93390823    -10.30300917
  O     14.96719860      8.00025440     -8.67522542
  H     14.71924148      9.84590350     -9.20257031
  H     17.65221207      9.25966727     -9.54650531
  O     17.52162638      6.20517934    -15.98533698
  H     14.22687178     10.63985927    -10.43103068
  H     12.30195964      6.45707082    -13.95374960
  O     15.76264045      4.43825961    -14.65171652
  H     14.11544945      7.58589160    -10.26847636
  H     12.49549378      7.02205366    -12.51842809
  O     19.61181142      7.04506467    -14.50069481
  H     13.70393831      8.43321451    -11.49576196
  H     18.57036044     10.06235242    -14.30825906
  O     17.28723567     10.32088916    -17.34299076
  H     15.49296475      9.65507182    -14.23831980
  H     19.19559054      8.84704356    -15.01140682
  O     15.66403757      7.97977878    -14.69853405
  H     15.23961956     11.10205046    -14.73533243
  H     18.73924160      7.34023075    -12.84758714
  O     11.37662848      9.64994079    -13.87450276
  H     15.42937050      7.60936826    -17.78547263
  H     17.98351817      8.57601875    -12.31864569
  O     17.55189946      8.30280529     -9.46411888
  H     16.64981456      8.54885139    -17.85771651
  H     16.46901980     11.06210087     -9.84273860
  O     11.94432607      7.08162455    -13.30619705
  H     14.91782174      7.62287557     -7.80134120
  H     17.72187139     11.86264067     -9.41173959
  O     18.80592393      9.71297463    -15.17770296
  H     15.91020960      8.02991812     -8.91776503
  H     14.15777546     10.38858820    -12.68517204
  O     18.13620231      7.63349459    -12.15432352
  H     17.17390569      6.57613907    -16.81114414
  H     12.64762367     10.10006112    -12.58852393
  O     17.43476223     11.13237872     -9.95297912
  H     16.91997106      5.51776923    -15.67230313
  H     15.76485851     11.19303533    -16.84140387
  O     13.45151983     10.17294389    -12.05905164
  H     15.81636626      3.52174527    -14.39187662
  H     14.98945721     12.52892160    -16.87583363
  O     14.99632524     11.66155656    -16.47767276
  H     15.76244468      4.96324550    -13.83204003
  H     13.27780053      8.45705562    -16.84419771
  O     13.84559526      7.67438250    -16.82205607
  H     18.91035156      6.67640464    -15.06743317
  H     14.39866505      7.78045118    -16.03390214
          69
 Energy    -249.18388388096983     
  O     12.95183342     11.46278447    -10.35401152
  H     12.11605304     10.98391585    -10.31431501
  H     17.22710814     14.42852627    -17.40281437
  O     12.04724158     10.72885668    -15.02050229
  H     12.77874897     12.26447946    -10.86987055
  H     13.47964973     13.46355327    -12.38732059
  O     14.52558784      9.67544339    -11.85067354
  H     11.63788885     11.46580748    -14.54267117
  H     12.97198934     14.53885033    -11.39981565
  O     18.24473370     14.91653780    -12.27829492
  H     12.05621682     10.99049235    -15.94950662
  H     12.32066716     13.53107661    -16.49879167
  O     10.55655808      9.92896455    -10.70441579
  H     15.43795444      9.67173777    -11.53670577
  H     11.69758230     13.89559349    -15.14551389
  O     11.93328606      8.93449464    -12.80517721
  H     14.04148094     10.31529697    -11.30820581
  H     14.95316591     13.67939633    -13.85139876
  O     14.74520790     10.45482802    -14.48814572
  H     17.42040701     15.42317678    -12.39893217
  H     14.87594353     12.12462174    -13.72694738
  O     14.05131258     15.69934013    -10.39514442
  H     18.92935903     15.54802105    -12.07656155
  H     18.30296010     13.81137302    -13.85597835
  O     14.76967581     15.07963315    -14.95078640
  H     10.99057224      9.51860224    -11.47528642
  H     18.09988160     12.36793421    -14.40080864
  O     15.10142828     11.71854617    -17.07316933
  H     10.30649321      9.21840370    -10.11940980
  H     13.41825304     11.84509762    -17.48245604
  O     10.87578176     12.90293422    -13.74956417
  H     11.88549992      9.42709310    -13.63484475
  H     12.22569220     11.76244540    -18.46635402
  O     16.69434224     14.03504598    -16.71733698
  H     12.85383475      8.97715916    -12.51634573
  H     17.84784308      9.82471800    -10.51932925
  O     12.69686524     13.75937308    -11.89512161
  H     13.81525634     10.52683989    -14.75164674
  H     17.14709270     11.07213795    -11.11293787
  O     12.30786828     14.21720268    -15.82149926
  H     14.73224126     10.09735162    -13.58727552
  H     17.61280141     10.35324460    -13.07829606
  O     14.93030888     12.94383691    -13.22305760
  H     14.35949632     14.91358380     -9.90933116
  H     16.72023572     10.44740553    -14.32066112
  O     18.23845882     13.28942050    -14.66264087
  H     13.79948901     16.34656273     -9.74162116
  H     17.43874533     13.49276717    -11.42066021
  O     12.44812530     11.90557713    -17.55079413
  H     15.40251152     14.84372907    -15.64079514
  H     16.14087351     12.82820435    -11.91750035
  O     17.22881222     10.10497183    -11.18825260
  H     13.88179381     14.87113006    -15.28074764
  H      9.43376652     11.11017865    -11.60474626
  O     17.60560945     10.64589104    -13.99717984
  H     15.17931006     11.22140444    -16.25183077
  H      8.04271778     11.38542209    -12.19687525
  O     16.80543001     12.79585906    -11.21072087
  H     15.67139055     12.49323558    -16.98515387
  H     15.42383752     15.95436049    -13.42125049
  O      8.93684584     11.71800279    -12.17175245
  H     10.10168078     12.55774884    -13.28547923
  H     15.22623806     16.07581776    -11.88379129
  O     15.87143181     16.17615357    -12.59335854
  H     11.45323374     13.27996304    -13.06958226
  H     14.21939453     12.63074522     -9.42163752
  O     14.85508317     13.34004973     -9.26716196
  H     17.30280898     13.77579006    -16.00021707
  H     15.61740287     13.13562972     -9.82671257
          69
 Energy    -249.18382004998949     
  O     19.07031918     10.14098189    -14.85769482
  H     19.61582514      9.38091283    -14.60563974
  H     20.46474190      4.43933809    -12.79595727
  O     21.83567941      7.97961100    -11.66167245
  H     18.93222457     10.64557546    -14.04930180
  H     15.73153678      9.10878556    -15.29133485
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  O     12.65546693      8.96602611    -13.21010029
  H     22.68016897      8.35113436    -11.42147712
  H     18.78826698      7.27945100    -13.28732610
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  H     14.45160950      8.94828735    -10.05333387
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  H     14.99092419      7.50520942    -10.24219430
  H     15.00567248      5.97946483    -13.97868928
  O     14.35866981      5.94695451    -11.01666873
  H     12.74494813      8.01067639    -13.28306482
  H     14.57130104      7.45321791    -14.00774991
  O     20.93862566      5.28293339    -11.27236298
  H     13.36090573      9.30292696    -13.78093060
  H     17.73138804      8.59714941     -7.91938701
  O     16.57748575      4.12397860    -10.85273137
  H     17.20489695      9.45055357    -17.30086441
  H     16.85400623      8.48057602     -9.18462549
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  H     20.46034591      5.03771129    -14.99200362
  O     20.36684883      7.84992170    -14.03407746
  H     18.27261530      6.83361737     -9.68867724
  H     21.31273758      5.27415975    -16.26417714
  O     20.13163345      4.08009138    -13.63187197
  H     18.28856877      6.43959366    -11.18598007
  H     12.31553471     10.42816001    -10.36794984
  O     15.09604400      9.17577984    -14.56940508
  H     14.33327132      6.17553383    -11.96228068
  H     12.83168114      9.55943580    -11.52700043
  O     17.95764108      7.05947567    -12.84571791
  H     13.49557356      5.60573469    -10.79322228
  H     19.48320508     10.17087233    -11.12046346
  O     14.32224607      6.58749753    -13.65823341
  H     21.36573101      6.14207894    -11.36735921
  H     19.17739947      9.19041290     -9.96733988
  O     17.77100280      8.46600834     -8.86387446
  H     20.12057714      5.46299025    -10.78985633
  H     18.10069901     12.13122544    -12.11151647
  O     20.63891406      5.66706689    -15.71715470
  H     17.26850808      4.71538358    -10.52179227
  H     17.72276162     10.63681632    -12.25288016
  O     13.01179670      9.82350180    -10.60952437
  H     15.78199680      4.66604918    -10.89829885
  H     16.99432561      5.43057779    -15.21262486
  O     19.87859888      9.49762449    -10.55316350
  H     17.21080754      3.29557736    -12.24512794
  H     16.87877719      4.33556706    -14.08391732
  O     18.46468731     11.26686208    -12.28536591
  H     17.39017741      1.99592524    -13.06541389
  H     17.74793382      7.15619695    -16.50336699
  O     16.53498135      5.18027680    -14.39583773
  H     20.98149670      7.85139228    -13.28931992
  H     18.87339288      6.09384867    -16.32622654
  O     17.92753707      6.20829041    -16.47900479
  H     20.59738320      7.12566728    -14.63042926
  H     17.08797625      8.53092186    -12.47111387
  O     16.57415582      9.31953989    -12.23296122
  H     19.30460505      3.62941332    -13.43182991
  H     16.05495575      9.08765638    -11.45475822
          69
 Energy    -249.18364146493283     
  O     -3.63011239      0.33947928     -3.80980197
  H     -2.85352170      0.81962782     -4.12536188
  H      0.52747017      7.70395315     -1.55179932
  O     -1.47460648      2.15714781     -4.26560606
  H     -4.34721196      0.98773303     -3.78573125
  H     -3.27927662     -1.25436895     -1.04321164
  O      1.40974266      5.07597168      0.19591778
  H     -0.59131594      2.49163961     -4.46443169
  H     -3.34048137     -0.20087830     -2.17711417
  O     -5.96767613      6.63249827     -3.39798411
  H     -2.09376158      2.87425551     -4.46171475
  H     -3.23143511      7.25975484     -4.94679985
  O      1.41749268      2.97101966     -1.74963197
  H      2.04852511      5.04843714      0.90406546
  H     -4.03549030      7.23740135     -6.26646643
  O     -4.59374419      2.08972213     -0.74851071
  H      0.54326192      5.23858403      0.60865652
  H     -4.99166706      5.80532305     -0.69757048
  O     -0.08157466      5.78991813     -3.73904440
  H     -5.34727093      6.74158379     -4.12837445
  H     -3.67311465      6.05507544     -1.50343113
  O     -0.92309096      1.40366571     -1.59787592
  H     -5.45560223      6.76195066     -2.58893120
  H     -3.39910349      7.38395380      0.05923712
  O     -2.19649088      3.33998353     -0.08962000
  H      1.41163972      3.66022583     -1.07485734
  H     -3.16054812      8.19564103      1.35494728
  O     -1.06786497      8.79735530     -1.42307285
  H      0.71547507      2.34443289     -1.52990092
  H     -1.53377017      4.72617029      0.90128575
  O     -5.32913078      2.56799622     -3.41504351
  H     -4.83454827      2.26401504     -1.67086374
  H     -1.60983276      6.26735486      1.05224795
  O      1.25405858      7.11204834     -1.78331393
  H     -4.19789337      1.21054340     -0.74063151
  H     -8.32495710      4.51834619     -3.11982136
  O     -3.13987627     -0.33050077     -1.23159866
  H      0.35575481      5.00033858     -4.07261887
  H     -6.94235289      5.21413025     -3.13920726
  O     -3.96424935      6.81832753     -5.41306666
  H      0.52183871      6.23177321     -3.12030289
  H     -3.03943655      4.51885063     -3.64358918
  O     -4.39987679      6.49500509     -1.03573982
  H     -1.13061967      1.66593811     -2.50711010
  H     -3.60083880      4.99986922     -4.99323276
  O     -2.71430136      7.81006768      0.60530796
  H     -1.54496478      0.70085539     -1.37336421
  H     -5.66113206      3.59164601     -0.28210201
  O     -1.05157417      5.50209182      1.22289720
  H     -1.63085135      2.67764005     -0.50954440
  H     -6.67611548      4.40046505     -1.10836083
  O     -7.40630440      4.39096118     -2.90017519
  H     -3.09837257      3.00878945     -0.19448255
  H     -2.13957614      4.52150320     -1.46669831
  O     -3.37605177      4.20449251     -4.49834340
  H     -0.94021063      9.73279221     -1.27697781
  H     -1.46870154      5.37328685     -2.61219760
  O     -6.09633264      4.45186441     -0.33791854
  H     -1.62985478      8.48132897     -0.69953145
  H      1.89871346      3.11750632     -4.88766995
  O     -2.30444512      5.14734366     -2.18306352
  H     -6.13679775      3.08442684     -3.30449112
  H      1.30624623      3.19432669     -3.45772403
  O      1.10238496      3.31769083     -4.40369589
  H     -4.69362368      3.15066279     -3.85613665
  H     -1.71123942      8.28700268     -3.23742986
  O     -1.84857190      7.89108969     -4.10394075
  H      1.35345846      6.48328170     -1.05693305
  H     -1.18969113      7.18287171     -4.15874792
          69
 Energy    -249.18362990551512     
  O     -2.20535011      5.62702002     -2.10861588
  H     -2.60709536      4.75749697     -1.93991888
  H      0.72073444      5.36198208     -0.11708121
  O      2.13923333      2.66982019      4.70053444
  H     -2.72623812      6.04189599     -2.79174252
  H     -1.95845269      1.75246598      3.61522351
  O     -1.21858629      2.91575925      0.48698121
  H      1.58608527      3.36904459      4.30894610
  H     -1.19104390      0.61562604      4.34124495
  O     -0.12415077      1.28234399     -2.76050597
  H      2.66717102      3.08535888      5.37714790
  H      1.03727116      4.81138391     -2.23907947
  O     -0.59825681     -0.78073670      1.83071902
  H     -1.91315664      3.02360258     -0.17331271
  H     -0.28180321      5.61264820     -2.08603113
  O      0.55439399      4.51409424      3.54047736
  H     -0.70234320      2.13835744      0.24153442
  H     -3.90891610      3.14413890     -0.70081469
  O      1.84730910      3.13626720     -2.62044937
  H      0.12229559      0.96985349     -1.87539744
  H     -3.20305347      2.35139342     -1.85432838
  O     -2.06504493      6.30787344      0.66187892
  H     -1.06404503      1.09085558     -2.83409039
  H     -3.41576625     -0.12804471      0.73306931
  O      2.97323181      1.20350618      2.43081152
  H      0.21406984     -1.08499755      2.25618920
  H     -2.03017910     -0.75435658      0.54120429
  O      0.44301425      0.38658664      5.05003196
  H     -1.06137842     -0.23367187      2.48040752
  H     -3.31308367      5.70796885      1.72941340
  O      2.40908204      2.84933114      0.18327789
  H     -0.35486908      4.18537570      3.53388404
  H     -4.43377850      5.99581900      2.75651018
  O      0.57570549      5.00262890      0.77180666
  H      0.71090080      4.84167169      2.64629375
  H     -2.71407543      4.07445482      3.00067889
  O     -1.94220572      0.79397381      3.75665912
  H      1.11724245      2.50606492     -2.75458612
  H     -1.74705624      3.20938952      2.15857815
  O      0.65967176      5.62129874     -1.87230949
  H      2.44689963      3.01756605     -3.35285833
  H     -3.42830584      0.06450260     -2.97770003
  O     -3.26271982      3.21232093     -1.42208060
  H     -1.14761085      6.08775890      0.85283647
  H     -2.85857183      0.19402623     -1.54689434
  O     -2.81841135     -0.47532543      0.05983968
  H     -2.16229414      6.19221357     -0.29187309
  H     -3.49500722      0.61898968      2.87452772
  O     -3.95923559      5.28963641      2.32664421
  H      2.96621945      1.79089885      1.66657644
  H     -4.94594579      0.11167443      2.74784812
  O     -1.99112206      3.44068856      3.06952408
  H      2.76173166      1.75148482      3.19896211
  H     -4.64691363      2.23514261      1.35349408
  O     -2.90414388      0.63028910     -2.41712634
  H      0.93496147     -0.26013479      4.53002456
  H     -4.62359782      3.78442949      1.36699877
  O     -4.26705959      0.59805347      2.28533588
  H      0.98392571      1.18650450      5.03719166
  H      1.23319568      1.34282985      0.14877666
  O     -4.79808242      3.01667872      0.80838529
  H      1.92928455      3.61952647      0.51128025
  H      0.21716679      0.21960369      0.58150195
  O      0.48642390      0.80368564     -0.13880109
  H      2.37555280      2.91976215     -0.77986478
  H      2.53201631     -1.85611567      3.15202345
  O      1.86178067     -1.18177009      3.08627061
  H     -0.06573077      4.28080659      0.66830461
  H      2.31014666     -0.36604156      2.79723928
          69
 Energy    -249.18362273879234     
  O     17.32257122     10.01455967    -16.41632230
  H     16.47940800     10.48559490    -16.43051068
  H     16.09196409      5.75912181    -11.71924408
  O     14.27146065      4.72367833    -14.30230113
  H     17.97375819     10.56171266    -15.96010348
  H     20.48247729      8.26777110    -15.69694230
  O     16.86054459     12.63436307    -10.40297206
  H     13.76368847      5.55082185    -14.39856042
  H     20.16492444      8.34650528    -14.19278796
  O     19.12100054      7.39030564    -13.02871544
  H     13.64063072      4.00941950    -14.31229568
  H     16.70659107      7.07070391    -15.14130459
  O     15.57379716      6.88289383    -18.41144271
  H     17.26913184     12.17425084     -9.67281607
  H     17.06997487      8.58282915    -15.27701214
  O     14.81930676      8.50400882    -12.94370408
  H     17.21559946     12.21626756    -11.20394992
  H     14.73822285     11.18476639    -15.29889595
  O     17.53218584     11.23972068    -12.70087572
  H     18.34114828      7.54807445    -13.58484317
  H     14.30061192     11.86281060    -16.61949383
  O     18.90128923      4.59197266    -12.90464723
  H     19.18936741      6.43470350    -12.92170084
  H     16.59121273      7.89686005    -10.71350062
  O     13.05074541      7.08757898    -14.58057529
  H     15.37863093      6.59648967    -19.29948531
  H     15.56837099      7.30592334     -9.71136391
  O     18.98126625      4.94243400    -15.73367481
  H     16.45413239      7.30068546    -18.43643924
  H     14.35391365      7.99961943    -17.45273343
  O     16.28838544      5.53797530    -16.06355215
  H     15.55008388      8.26569420    -13.53596779
  H     14.07717777      9.34788164    -16.74279823
  O     16.30275585      5.01662883    -12.29788326
  H     15.02888707      8.12667826    -12.08176526
  H     18.47753859      8.38798784    -11.64050814
  O     20.50068202      8.86361840    -14.93847305
  H     18.17208389     11.28933938    -13.42032201
  H     17.76477230      9.74708401    -11.58801998
  O     16.90873742      7.87318036    -14.64244893
  H     16.64893074     11.21436473    -13.09315552
  H     15.14597040     12.78613681    -10.96017644
  O     14.77617061     11.11420898    -16.26900958
  H     17.95701243      4.69204444    -12.68394502
  H     13.78407400     13.49666991    -11.04159310
  O     15.82129515      7.30468769    -10.63028450
  H     19.24220481      3.89977661    -12.34534380
  H     21.01266265      6.56040991    -17.49398769
  O     13.72470590      8.46320993    -16.88706949
  H     13.18174147      7.53928529    -15.42714827
  H     19.84484923      6.20027680    -16.54824078
  O     17.92312556      8.94496224    -11.07484356
  H     13.51601015      7.62563096    -13.92660626
  H     14.72461412     10.23944094    -13.27750225
  O     14.28276081     12.76985240    -11.40492880
  H     18.03697448      5.04924731    -15.91696715
  H     14.53617193     11.73703343    -12.84535195
  O     20.27333130      6.93567308    -17.02266109
  H     19.04214774      4.74138405    -14.79282428
  H     19.80026256     10.42136236    -14.89966211
  O     14.84410972     11.15982365    -13.55815933
  H     15.55802153      5.17721080    -15.54527775
  H     19.93944113     11.95232641    -15.09410595
  O     19.31087657     11.26553504    -14.88992882
  H     15.93695422      5.89426409    -16.88957812
  H     18.78753663      7.67023113    -17.92603204
  O     17.98504013      8.07343441    -18.27762760
  H     15.57352714      4.92266740    -12.92201875
  H     17.80123763      8.83636243    -17.71101589
          69
 Energy    -249.18353890612602     
  O     16.44870240      5.53034368    -13.68187758
  H     16.61922593      5.60829865    -14.63225977
  H     19.48842220      6.53876992    -13.43198685
  O     17.77046981     14.11300010    -11.96809505
  H     17.26407872      5.79955523    -13.24487480
  H     19.95275451     11.15894119    -18.21110962
  O     19.85499987      9.63351834    -15.32935950
  H     17.66806076     13.73648457    -12.85148686
  H     19.60671171     10.29695228    -16.97299379
  O     15.49436705      7.56376310    -18.23636520
  H     17.01413567     13.79341071    -11.45934514
  H     17.11313392      7.89042728    -15.64990342
  O     17.84188396     11.07360300     -9.81206752
  H     19.95739615     10.15512699    -14.52223772
  H     16.91975427      9.44924999    -15.80666197
  O     15.77611823      8.94816132    -12.91499844
  H     18.96109233      9.25556280    -15.27751302
  H     14.28764285     11.24911929    -14.73718208
  O     17.45898217     12.36207187    -14.21527038
  H     14.91367147      7.82951291    -17.49895588
  H     14.94987727     11.09180094    -16.11821745
  O     20.33509230      6.89455497    -14.92748334
  H     14.91938560      7.36612517    -18.97097198
  H     18.52929991      8.01468969    -11.82473978
  O     14.08540856      6.83271632    -13.53713678
  H     17.96501574     10.23306530    -10.27182929
  H     17.27219763      8.90003333    -11.93387503
  O     19.49805763      6.02829773    -17.51485924
  H     18.61777500     11.60840362    -10.02150576
  H     13.94228447      7.71839726    -15.27508492
  O     16.95062970      6.11941982    -16.33876527
  H     15.09252827      8.27085199    -12.97906774
  H     13.92929667      9.13445171    -15.91245579
  O     19.00596001      6.37489735    -12.60282884
  H     16.29573948      8.88330892    -13.73195486
  H     20.55089814     13.37643537    -10.51190803
  O     19.28242261     10.58963364    -17.84221840
  H     18.15617173     11.83786724    -13.79847439
  H     19.18423251     13.36976955    -11.24039727
  O     17.25585166      8.74746929    -15.23182541
  H     16.62028162     12.11376180    -13.79613047
  H     19.09202407     10.18340669    -12.45501743
  O     14.14232976     10.89803100    -15.62385333
  H     20.13881274      6.52184145    -15.79510686
  H     19.81199336     11.54395209    -12.25205413
  O     18.17138963      8.87464577    -11.57354604
  H     20.37762910      7.85044111    -15.06138525
  H     16.44965582     12.07281036    -10.19791044
  O     13.97738158      8.18766455    -16.11440431
  H     14.89616865      6.29136009    -13.54981055
  H     15.25574174     12.93366424     -9.72067847
  O     19.88417883     12.79966335    -10.87360522
  H     13.40084332      6.29700991    -13.14643968
  H     18.58113504      8.98682771    -18.54484836
  O     19.53040063     10.90986507    -12.92186657
  H     19.90605377      5.43978305    -18.14416263
  H     17.32644215      8.07072265    -18.64045713
  O     15.75821430     12.69155049    -10.49389992
  H     19.14100287      6.78030516    -18.02179229
  H     15.25764157     10.65000456    -12.89499954
  O     18.28289666      8.09658056    -18.76706821
  H     16.38462746      6.44162100    -17.05233828
  H     15.16202417     11.99696275    -12.12652921
  O     15.08128261     11.59783752    -13.00093712
  H     17.82136169      5.95065802    -16.72051819
  H     17.06089320     11.67044674    -15.84910871
  O     16.78222247     11.14651179    -16.61700491
  H     19.50655258      5.71698991    -12.12585638
  H     17.54986424     11.08706663    -17.19590673
          69
 Energy    -249.18226631275888     
  O     14.09172840      4.46563275    -16.87594121
  H     14.00164928      4.22398981    -15.94347718
  H     19.52947417      4.94805061    -15.27554851
  O     17.18532105      6.22148738    -11.78786085
  H     13.73340699      5.35823752    -16.93570002
  H     19.72638872      8.22285384    -16.79024962
  O     20.15825762      6.59518096    -17.69822678
  H     16.71441702      6.95289110    -12.21529401
  H     18.58792370      8.16473763    -15.77138085
  O     17.39446635      6.33517357    -18.60732660
  H     18.12167356      6.34618527    -11.98701311
  H     17.41624195      6.10693953    -15.42835874
  O     12.84577457      6.01500798    -11.32353416
  H     20.93729799      6.37650034    -18.20271960
  H     16.67094232      7.32093124    -16.08913360
  O     13.89775690      4.26434742    -14.11257165
  H     20.27877587      6.20012190    -16.81594275
  H     13.23144142      7.16294583    -15.57012626
  O     15.94568098      8.18910107    -13.24384713
  H     17.14247339      5.41849689    -18.44243326
  H     12.32694142      7.52179120    -16.76802076
  O     17.86283950      4.29985455    -15.48272621
  H     18.32130489      6.41463611    -18.35143242
  H     15.63589827      3.04191349    -11.57414329
  O     12.53898299      3.20980956    -11.88826927
  H     13.63978156      5.97682946    -10.77633837
  H     15.13361290      3.79787751    -10.33685012
  O     19.44419868      9.36145734    -13.43456876
  H     12.57157136      5.09715066    -11.44132102
  H     20.60289665      6.78740500    -12.03491002
  O     16.48742602      3.72551524    -17.85182426
  H     13.78430555      5.21918915    -14.00222918
  H     19.69403564      7.74154631    -12.84124383
  O     20.30752218      5.52000181    -15.18966384
  H     13.33301970      3.83562095    -13.45768229
  H     15.57847676      3.98570643    -13.50355694
  O     19.26943514      8.75525801    -16.13111583
  H     16.41893036      7.78261775    -13.99042114
  H     16.73232265      4.65083999    -12.69262783
  O     17.19720553      7.04023365    -15.32700283
  H     16.17761001      9.12489791    -13.24898335
  H     16.03922214      5.86443476    -10.46618712
  O     13.17822798      7.15527377    -16.54031746
  H     17.39953336      3.97290132    -14.69975759
  H     15.55543598      6.01130477     -9.00675026
  O     15.02918126      2.97117976    -10.82570750
  H     17.41214286      3.97680021    -16.27218236
  H     16.19456567      7.52743947    -17.99626900
  O     19.82152973      6.81115366    -12.58259240
  H     13.39115919      3.01832426    -11.45646794
  H     14.81931961      7.78150474    -17.25870981
  O     16.46436341      3.83597362    -13.13974570
  H     11.94702863      2.49804178    -11.66251133
  H     14.32810392      7.50719440    -13.60553639
  O     15.32023978      5.63830902     -9.85285058
  H     18.64812555      9.89710098    -13.34779119
  H     13.13658166      6.78586259    -12.92700932
  O     15.70504211      8.12884492    -17.41234400
  H     19.57801778      9.25612292    -14.38802902
  H     16.71208727     11.67722532    -13.41144212
  O     13.50744536      7.02777400    -13.78888232
  H     16.38972918      2.95776695    -18.40819109
  H     16.89097962     10.70167465    -14.59872698
  O     16.91491869     10.77126849    -13.62652626
  H     15.59366681      3.97229822    -17.55119601
  H     17.88249981     10.01322985    -16.39312572
  O     16.99181857     10.38049729    -16.30914715
  H     20.20469164      5.96684898    -14.34316459
  H     16.42037450      9.73961476    -16.75275835
          69
 Energy    -249.18225080562814     
  O      0.31495298     11.21147636      1.44238231
  H      0.02221946     11.52391847      0.56950871
  H     -2.76313830     12.43568666      1.80382100
  O     -0.31780130     15.80680505      0.43485671
  H     -0.30018161     11.56659601      2.09343928
  H      4.58581725      8.27943723      1.84292815
  O     -2.14040274     10.80381990     -2.72506859
  H     -1.08892398     15.36932644      0.05130024
  H      4.28646960      9.76945176      1.54815475
  O     -3.17724450      9.81562700     -0.27611541
  H      0.33155192     15.88085817     -0.27876600
  H     -0.18816922      8.31185060     -0.19020937
  O      3.35382756     13.73794330     -0.78136794
  H     -2.65487166     10.47759360     -1.97452530
  H     -0.87883053      8.15753131     -1.55409573
  O      4.61642132     11.45940667      1.83621083
  H     -1.60787190     10.06577231     -3.04928262
  H      3.87077231      9.60994758     -1.90188716
  O      5.67459550     12.16690209     -0.73412610
  H     -3.95553802      9.27767156     -0.14871345
  H      4.56492644      9.29053631     -0.56439395
  O      1.46917395      9.00831051      0.32022621
  H     -2.41913937      9.20530495     -0.28608376
  H     -2.19885667     12.61335012     -3.39515699
  O     -0.30492141     12.07517861     -1.03656281
  H      4.22143316     13.31492713     -0.80208943
  H     -2.28670464     13.92190906     -2.59612271
  O      0.48900001     14.34072443     -4.01135859
  H      2.98286352     13.57276949      0.09684053
  H      1.98467520     10.57706463     -2.52679595
  O      2.31982993     13.10439988      1.74850803
  H      5.09494302     11.77426915      1.05904824
  H      1.79538435      9.46637399     -1.43255524
  O     -3.38839366     12.37198801      1.07264665
  H      3.87448777     12.06671571      1.95376691
  H      0.49744293      8.97594893     -3.09989291
  O      4.11058007      8.85788693      1.25281496
  H      5.35876367     11.30564298     -1.06144819
  H     -0.26860745      8.08925065     -4.10781229
  O     -1.04669491      8.15288525     -0.60409924
  H      6.56559633     12.27465613     -1.05553192
  H     -1.44097656     13.52179707     -0.82191329
  O      4.69810222      9.72052324     -1.41880755
  H      2.34033700      8.84492684      0.70046768
  H     -2.79611740     13.63973888     -0.11908566
  O     -2.06152833     13.56620683     -3.46728966
  H      1.08001236      9.74878603      0.80990801
  H      0.51816670     15.61683753      3.39944121
  O      1.98773779      9.62038143     -2.37003140
  H     -0.93606051     11.61613673     -1.60627918
  H      0.10618637     15.24380641      1.95511588
  O     -0.38750166      8.66589272     -3.35757084
  H      0.48285873     12.23626752     -1.56964751
  H      2.47701861     12.84275857     -2.05964976
  O     -2.20244764     14.11240861     -0.71862601
  H      0.51315560     14.78093137     -4.85685199
  H      1.49594051     13.00349391     -3.26433235
  O      0.35626125     14.87422196      2.82436538
  H     -0.43834266     14.08945704     -3.85515042
  H      1.14848176     15.34971686     -2.46651701
  O      1.91372588     12.35708846     -2.67970441
  H      1.69740804     12.37318851      1.62528680
  H      2.24044811     15.16284324     -1.39233496
  O      1.50152421     15.72720252     -1.65292846
  H      1.80822491     13.80272539      2.17160948
  H     -1.59585436     12.61044394      4.05987258
  O     -1.35731955     12.68545740      3.13869677
  H     -3.27779940     11.49381869      0.68757857
  H     -0.80742181     13.48137184      3.05781104
          69
 Energy    -249.18209915314614     
  O     14.27148062     11.13232740     -9.76689323
  H     15.01741061     10.63955349    -10.13348409
  H     13.98685470      6.76603854    -11.27151622
  O     16.96034692     12.09649152    -12.28822318
  H     14.29713958     12.00517030    -10.18565526
  H     10.67783558      7.88713990    -10.05124841
  O     11.18067012     10.96541756    -15.42206641
  H     16.88390415     11.29497178    -11.74525295
  H     11.92632177      7.83692968     -9.12607999
  O     10.06475724      8.96803863    -13.99996434
  H     17.84495022     12.42979907    -12.15732784
  H     13.87178280     13.09748628    -12.17152010
  O     12.96699550     12.06761569    -13.56085453
  H     10.74546525     10.25969619    -14.90971715
  H     15.35506900     13.07518849    -11.76200250
  O     15.40890840     10.97507257    -14.40988048
  H     10.51130556     11.35491796    -15.97796171
  H     12.76679574     10.16477279    -16.04507475
  O     16.45737233      9.70099487    -10.93886629
  H     10.54492500      8.14185532    -14.15416827
  H     14.28898933     10.24961362    -15.79181010
  O     14.91044833      4.49811409    -13.06926868
  H      9.84704209      8.98591026    -13.06142807
  H     16.50631814      7.05125545     -8.54412511
  O     13.30525613      8.01126738    -12.38489432
  H     12.30152198     11.83959241    -14.22223534
  H     15.48828008      6.96267788     -9.70623793
  O     12.11301397      4.47140373    -12.99921411
  H     13.80429282     11.69598792    -13.87381900
  H     11.61052070      4.19407074     -9.50498190
  O      9.80642184      9.22030267    -11.15217970
  H     16.00858794     11.50850950    -13.87582647
  H     11.63682196      5.68834278     -9.90697056
  O     14.39575804      6.06713931    -10.73805037
  H     15.54682241     10.06484089    -14.10573773
  H     15.15822752      6.51604902    -15.61146246
  O     11.21793109      7.30094613     -9.51191043
  H     16.30558002      9.23711572    -11.77571244
  H     16.60034650      5.96808805    -15.71361327
  O     14.47444115     13.31776124    -11.44976629
  H     16.43792654      9.02031680    -10.25377924
  H     13.65810196      8.04203172    -16.42189262
  O     13.61155479      9.75081953    -16.26346728
  H     14.91320975      5.01046193    -12.24996438
  H     13.35727096      6.82794474    -17.33686332
  O     15.99168421      7.58110085     -9.14748144
  H     15.31408396      5.06151845    -13.73805804
  H     12.35297715      6.78768145    -15.09034205
  O     11.97882154      4.80421305    -10.13750875
  H     12.87951471      8.80568344    -12.04183002
  H     11.78657146      5.92008265    -13.91610158
  O     15.95002059      6.29353527    -15.09550390
  H     12.71787764      7.60772165    -13.03747531
  H     14.23551652      8.30504940     -8.57524965
  O     13.66259181      7.06795014    -16.46549001
  H     13.06799648      4.34151900    -13.09616257
  H     13.59065935      9.67765537     -8.73529056
  O     11.75378861      6.79479640    -14.33672926
  H     11.94851767      4.51411794    -12.05005644
  H     14.88316657      8.31268403    -13.02198214
  O     13.39017486      8.76181785     -8.50524264
  H      9.17246101      9.77404636    -10.70204836
  H     16.01261952      7.73016320    -13.91152632
  O     15.78969948      8.46845240    -13.33446034
  H     10.63123980      9.73419985    -11.21488634
  H     12.40270992     11.00659641    -12.21708422
  O     12.21762017     10.41920878    -11.47225225
  H     13.66434836      5.51867911    -10.42541081
  H     12.86044042     10.63468407    -10.78421894
          69
 Energy    -249.18181064356921     
  O     13.82631498      7.40807030    -16.64260483
  H     13.91700860      7.50194807    -15.68517930
  H     16.99479508      2.48370304    -17.19576855
  O     14.06308979      2.67244679    -15.58449876
  H     14.60702387      7.79666337    -17.05549776
  H     20.48779422      4.40228228    -15.70766024
  O     17.97039436      6.45732537    -11.89302384
  H     14.95032781      2.40366927    -15.88727414
  H     21.49629952      3.72135671    -14.75000484
  O     19.99107585      4.77421822    -17.32485625
  H     13.50172528      1.90512550    -15.65094315
  H     18.05804572      6.56668902    -16.71091983
  O     17.92406041      3.34385483    -18.65438057
  H     17.59507418      5.56684573    -11.93882087
  H     18.97558293      7.80486844    -16.48670567
  O     13.65253428      7.61633252    -11.08605470
  H     17.57046975      6.95992722    -12.61742189
  H     16.15059244      5.27648261    -16.25849921
  O     14.37981551      4.46119245    -13.43189902
  H     19.68590433      5.68383447    -17.43036234
  H     17.29567645      4.75939864    -15.32585730
  O     16.92692849      7.75495048    -14.13228560
  H     19.33859214      4.22412013    -17.77697276
  H     14.62292025      4.28207085     -9.92061708
  O     18.04019823      3.34513575    -14.39157464
  H     18.09289751      2.82663632    -19.43844679
  H     15.31401587      3.56936050     -8.73243449
  O     13.24318938      4.78054604    -10.88824071
  H     17.36953567      4.09362260    -18.93422627
  H     14.19346746      4.15210427    -16.71530513
  O     19.45015657      8.74424896    -14.96616899
  H     14.50764693      7.44092335    -10.65370804
  H     14.13616648      5.70469811    -17.00761714
  O     16.58519706      2.12067478    -16.40186367
  H     13.24891489      8.33899670    -10.61267200
  H     19.62507981      6.55655171    -12.77609294
  O     20.67759987      4.20989695    -14.77110259
  H     14.30847611      5.37946788    -13.72544486
  H     20.48732332      5.84710983    -13.85257297
  O     18.59737375      7.23354577    -17.16797537
  H     14.21033578      3.87385949    -14.17769174
  H     16.43091915      3.86196565    -11.12288734
  O     16.92781927      5.54315745    -15.75210274
  H     17.68741844      8.27698164    -14.41101344
  H     15.90832510      4.12955184    -12.55276115
  O     15.48426845      4.11096436     -9.49793909
  H     16.90724409      6.96750373    -14.70113688
  H     16.77586650      6.89931777    -10.49271754
  O     14.58910354      4.87252221    -17.21520853
  H     17.69856244      3.45107057    -13.49360851
  H     15.89693351      6.00190465     -9.60729167
  O     20.31203285      6.70162116    -13.44089965
  H     18.97881803      3.56965465    -14.39680085
  H     16.30197665      6.34566515    -19.18070972
  O     16.71399048      3.95885912    -12.03968433
  H     13.19192000      5.74438594    -10.88713617
  H     15.56594130      5.10928298    -18.68000672
  O     16.00655534      6.91220518     -9.90863943
  H     13.49678748      4.54508989    -11.79183731
  H     15.16834750      7.55844434    -13.87812357
  O     16.25952147      5.39223530    -19.29748914
  H     19.96036871      9.53289536    -14.80653586
  H     13.94466443      7.45390795    -12.93396794
  O     14.24897266      7.25663763    -13.82852001
  H     19.84096121      8.03824586    -14.41798039
  H     17.09454052      7.93589143    -17.90248302
  O     16.21171888      8.14830791    -18.24526967
  H     17.15304759      2.39000721    -15.66562052
  H     16.31013192      8.93769256    -18.77322136
          69
 Energy    -249.18164844192003     
  O     14.95809821     13.79167099    -15.60044538
  H     14.64229182     13.35453822    -16.40037769
  H     14.95045608     10.77594409    -15.04722708
  O     17.12044811      8.76147317    -16.85461637
  H     15.42609721     13.11239109    -15.08798527
  H     17.00780650     10.41481400    -17.56254064
  O     14.83793079      9.94034762    -11.61554887
  H     16.32712541      8.28954312    -16.57162502
  H     16.05111717     11.58804743    -17.90697432
  O     17.71356068     15.50851945    -12.87378372
  H     17.72893872      8.70069559    -16.10935565
  H     14.08211225     11.36829393    -16.94957553
  O     14.90210475      7.71804941    -15.43318926
  H     14.11049635     10.28698351    -12.14957269
  H     13.46748800     11.87440209    -18.27720953
  O     13.31409176      7.82413834    -10.62590909
  H     15.36232916     10.70278976    -11.33438998
  H     18.98743039     12.44763468    -12.80457048
  O     14.74736974      5.93641187    -11.93605774
  H     18.25757774     16.28812945    -12.79603438
  H     18.56308894     13.84370333    -12.29782159
  O     16.17273708     11.74703245    -14.15095093
  H     17.66231322     15.30111953    -13.82454634
  H     13.73837013     13.78719505    -14.12954058
  O     12.73668503     10.92089283    -13.22896633
  H     14.10856525      7.25077098    -15.13563249
  H     13.90099360     14.09902222    -12.64048507
  O     16.31432099      8.02537735    -13.00008477
  H     15.44388973      7.82637767    -14.63914711
  H     17.84893738      8.43740542    -13.83918346
  O     18.93717474     11.46003805    -14.37699686
  H     12.52657011      8.01754715    -11.14959617
  H     19.28093882      7.99372911    -14.20709826
  O     14.19716691     10.36512069    -15.50003493
  H     13.89661665      8.58515574    -10.76406215
  H     12.27763179      7.22541046    -13.59548721
  O     16.97910813     11.34322201    -17.83927409
  H     14.23278134      6.54293692    -11.37259484
  H     13.41827939      6.22098347    -13.35034740
  O     14.18597410     12.01793442    -17.66718703
  H     14.84155084      5.12160600    -11.45041113
  H     16.12390572     15.15745324    -12.04470285
  O     18.80150629     12.95681420    -12.00300326
  H     17.12048278     11.65672605    -14.30926496
  H     15.14684234     15.56583355    -10.92062974
  O     13.34620554     13.61619690    -13.26300281
  H     16.06954382     11.90492702    -13.20507155
  H     16.60043420     14.64940972    -15.64855637
  O     18.62020822      8.65861328    -14.38737956
  H     13.12393484     10.68895300    -14.08561004
  H     18.05741906     14.23559377    -15.95986617
  O     12.83531534      6.57212643    -14.03498825
  H     12.82722909     11.88100528    -13.14451604
  H     17.20168578     12.39869352    -11.43588562
  O     15.31354661     14.89515564    -11.57892674
  H     15.93116923      7.21432940    -12.64082827
  H     15.83574873     13.11067067    -11.27013901
  O     17.52450176     14.88136356    -15.48185748
  H     15.86947818      8.75543948    -12.54554205
  H     10.42694810      8.74452481    -12.55767520
  O     16.25021176     12.24272859    -11.33425001
  H     19.08390446     11.84340501    -15.25194166
  H     11.76521989      9.47439206    -12.79715636
  O     11.37176095      8.61328985    -12.57880720
  H     18.94731110     10.49696400    -14.44533875
  H     18.24831036     12.29374876    -17.24119280
  O     18.97193666     12.80014490    -16.82609074
  H     14.38001459      9.41851100    -15.56299998
  H     19.62692261     12.94816398    -17.50243933
          69
 Energy    -249.18108588099039     
  O     10.04136381     10.59298661     -9.52508164
  H     10.11542765      9.66518770     -9.78029838
  H     12.10317100     11.86125342    -11.38888926
  O     14.39541421      9.36482655    -15.94753861
  H     10.63876015     10.71030170     -8.77537839
  H     13.55252434     13.56024089    -14.08679942
  O     10.72182852      7.90225109    -10.38175877
  H     14.33439490     10.30920530    -16.17879821
  H     14.80767473     14.45146976    -13.92374145
  O     14.51001530      9.23740902    -13.13780491
  H     14.85531674      8.93677223    -16.66465262
  H     12.09281947     14.90210820    -12.47017569
  O     14.06556204     12.46588125     -7.64647896
  H     10.29071634      7.07215030    -10.19818223
  H     11.66256635     16.19843623    -11.75756679
  O     13.99717047     11.99179058    -16.51551989
  H     11.46338957      7.97998196     -9.75469953
  H     12.51986964      9.14415594     -8.14117179
  O     11.74856477      9.21486765    -12.65167503
  H     13.56158636      9.20831298    -12.94233856
  H     13.51645869      8.66682374     -9.21756417
  O     14.73718223      9.52660078    -10.31746963
  H     14.57977398      9.16711780    -14.09850442
  H     17.02045742     12.16537437     -9.93654452
  O     13.77094346     12.02631872    -10.91850195
  H     13.98380579     13.26488463     -8.18247265
  H     16.87106870     12.36026416    -11.46419537
  O     11.94600860     10.77224003     -7.37789666
  H     14.88612989     12.03580640     -7.91547488
  H     11.44622391     12.92903435    -12.99147515
  O     16.46374809     15.33013450    -10.42163492
  H     13.04294412     12.13283207    -16.53369082
  H     11.45591751     13.22240348    -14.51346933
  O     11.19172972     11.76331508    -11.70823243
  H     14.33252795     12.62464190    -15.86584031
  H     13.30251424     14.88819942    -10.26980583
  O     14.48982072     13.62495685    -14.31432610
  H     11.51555399     10.11952368    -12.39797747
  H     14.78748797     14.85088497     -9.82398138
  O     12.36208654     15.55009757    -11.79917063
  H     11.38777144      8.64403784    -11.96305814
  H     15.40685979     12.36272085    -13.43622329
  O     12.76903717      8.37945183     -8.67634849
  H     14.85021892      9.20202810    -11.21819528
  H     15.41945835     10.85543490    -13.00663006
  O     17.23144916     12.76419640    -10.66206827
  H     14.28241963     10.37984835    -10.41129032
  H     10.45771157     12.28705630    -16.70351744
  O     11.73452199     13.57253398    -13.65829264
  H     13.86267628     12.83699126    -10.40382459
  H     11.22498641     11.27439258    -15.82159547
  O     13.90950833     14.49268519     -9.63155671
  H     14.46742394     12.02652681    -11.58910903
  H     16.90743972     10.43314378     -8.03894592
  O     15.78290742     11.72834225    -12.80859746
  H     11.64134871     10.85367312     -6.47724335
  H     15.87581540     10.34833029     -9.18464601
  O     11.15742999     12.21694291    -16.05952118
  H     12.68278587     11.39940463     -7.47398137
  H     15.61262171     15.75294703    -12.07295860
  O     16.35540583     10.96519310     -8.60756368
  H     17.16278271     15.85803284    -10.04599533
  H     14.14234664     15.92977154    -12.48871826
  O     15.03948929     15.87316228    -12.84012812
  H     16.81232669     14.42491856    -10.51698627
  H     11.50930908      9.37689438    -14.48096049
  O     11.57337960      9.61148279    -15.41656765
  H     10.66129625     11.46648999    -10.95542817
  H     12.47574516      9.39198464    -15.67793510
          69
 Energy    -249.18093379902265     
  O     13.05755311     11.57880920    -16.29969800
  H     13.65593292     11.75999258    -15.56824665
  H     18.84022499      9.80603619    -12.32201568
  O     15.32793526      7.23088984    -12.93129711
  H     12.20715145     11.36875835    -15.89113153
  H     17.24447272      9.33482884    -16.99101019
  O     16.09199138     11.25748169    -11.36768054
  H     15.31794339      7.92017525    -13.61523327
  H     18.15097459      8.97760187    -15.75988083
  O     17.34140562     12.02552968    -14.67721060
  H     15.81337548      7.59649116    -12.18024942
  H     14.50867315      8.73144376    -15.47339307
  O     13.32586751      7.82280918    -16.56225180
  H     17.00284318     11.50839490    -11.56791972
  H     15.98512025      9.25659283    -15.35602206
  O     11.90323905     12.20816034    -10.14180051
  H     15.58386489     11.40674021    -12.17447868
  H      9.90149589     11.28766540    -14.68267933
  O     12.81976229      8.18218823    -12.14138185
  H     17.46742668     11.27203844    -15.27240844
  H     11.21847609     10.95799982    -13.94166812
  O     14.61746188     11.55616920    -13.80149810
  H     16.39858367     12.06775332    -14.48211323
  H     13.41463514      7.64080164     -8.98940839
  O     16.76083887      5.97923929    -15.00278678
  H     13.93451276      7.12306533    -16.83500202
  H     13.36764972      8.22511758    -10.41691775
  O     19.03519829      7.67679201    -14.76016752
  H     13.32250454      8.48448163    -17.26690853
  H     12.01991690      7.88679209    -15.22730792
  O     15.38758275      6.09319190    -17.32476308
  H     11.60691334     12.93216425     -9.59807741
  H     11.06222984      8.96358850    -14.69318844
  O     18.77522428      8.84274578    -12.33439123
  H     12.71850773     11.87388376     -9.72857430
  H     18.27591292     11.86049350    -13.22893413
  O     17.57092849      9.65198438    -16.13502342
  H     12.22107877      8.05423961    -12.89290225
  H     19.34986764     12.36271796    -12.23070577
  O     15.15290297      9.13565292    -14.87896728
  H     13.65728868      7.77566372    -12.40491229
  H     16.31630137      9.49222366    -10.96552220
  O     10.75811225     10.88369324    -14.79620587
  H     13.77461404     11.48924261    -13.33078965
  H     15.68179096      8.33524786    -10.17570135
  O     13.83798169      8.27037285     -9.56801725
  H     14.80179727     10.66889239    -14.15530493
  H     14.08428237     10.14000853     -9.23309248
  O     11.42034463      8.09041692    -14.49665624
  H     16.24971902      6.21607056    -14.21772357
  H     14.91780689     11.26011956     -9.88939878
  O     18.68275627     11.69420490    -12.35871925
  H     17.58469077      6.47779003    -14.93931589
  H     16.01639504      7.74337372    -18.08055088
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  H     19.94018300      7.39287736    -14.85936616
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  O     14.21726249     11.09588140     -9.24445559
  H     18.95966646      8.06422119    -13.86944620
  H     12.06263636     11.39854401    -11.68803934
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  H     12.46742504     10.01021451    -12.30544190
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  H     13.28322080     10.27084035    -19.16179725
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  H     18.09610966      8.61169821    -11.68953061
  H     13.50599634     10.58819038    -17.66586052
          69
 Energy    -249.18056104222870     
  O      1.76487306      1.25343332      3.36677451
  H      2.58292711      1.54238044      3.76218687
  H     -4.64737725     -0.16933784      4.26241083
  O     -1.86243463     -2.59820529     -2.65455630
  H      1.30337702      0.71851312      4.04012316
  H     -4.26594277      3.54539722      1.51203877
  O      0.37517342     -0.14515532      5.21049986
  H     -2.40964286     -2.09057522     -2.03848475
  H     -4.58634019      4.14768584      0.12202420
  O     -2.91958176     -1.04061358     -0.57685805
  H     -1.46581912     -3.30028683     -2.12427943
  H     -2.19742476      1.82218880      5.79691398
  O     -0.47538889     -4.26769017     -0.75887961
  H     -0.41224625      0.27479466      5.58746130
  H     -2.71509082      0.37182743      5.76462882
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  H     -2.20256114      3.24178773      0.31549555
  O     -4.62646833      3.41215649      3.21179188
  H     -2.12623152     -0.48551412     -0.61035297
  H     -1.09271109      2.25981996     -0.15195521
  O     -2.89863236     -3.19528495      3.95331231
  H     -3.60389723     -0.49845937     -0.16689088
  H     -3.50466488      0.56872890      1.52888021
  O     -0.60659832      2.68602660      2.94935082
  H     -0.06006832     -5.11619857     -0.88915731
  H     -4.29259539      1.63537705      0.72000331
  O      0.14954939     -0.83203132     -3.13498762
  H      0.23571709     -3.60306137     -0.78801884
  H     -1.56896801      1.11376004      2.74006909
  O     -5.93388958      0.83501939      3.26763874
  H      1.13857928     -1.80541965     -1.80023979
  H     -1.42635652     -0.41774201      2.50478082
  O     -3.81530922     -0.58466008      4.51528550
  H      1.58894568     -1.63445117     -0.33977836
  H     -1.79299265     -3.75946079      0.48755761
  O     -4.08121749      3.46685134      0.55810028
  H     -3.90065925      3.45500579      3.84745190
  H     -2.67063382     -2.49180849      0.53008268
  O     -2.01264498      0.93192706      6.11823169
  H     -5.12098574      2.60742542      3.40567209
  H      0.80303649     -0.91374471      1.43898841
  O     -1.25393488      3.06993842      0.35017555
  H     -2.90267823     -3.28395036      2.99298132
  H      1.65836616      0.33683584      1.66846354
  O     -4.32355302      0.71995669      1.02780152
  H     -3.35222262     -2.36829504      4.16812626
  H     -2.02801771      4.28700712      5.31549189
  O     -2.06409969      0.30369880      2.56827509
  H      0.27314809      2.30441379      3.05366873
  H     -1.67714825      3.27369422      4.19973522
  O     -2.36432922     -3.23713791      1.06689033
  H     -0.74563079      2.90941788      2.01502391
  H      0.06928168      0.34594722     -0.18300854
  O      1.35215832     -0.25816596      0.97618202
  H      0.31713522     -0.67182626     -4.05930735
  H     -0.34037879      0.25400110     -1.67485536
  O     -2.34250285      3.50238626      4.87274673
  H     -0.58781116     -1.46683498     -3.08589944
  H     -1.29938767     -3.06174192      4.66374952
  O     -0.63156192      0.57265089     -0.81143191
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  H     -0.08100816     -3.66965752      5.39682568
  O     -0.36841551     -2.90545124      4.90511405
  H     -6.85194257      0.62323276      3.11791912
  H     -0.98851398     -2.41754762      1.86704778
  O     -0.31007344     -1.89083376      2.31069358
  H     -3.15589279     -0.25740038      3.88272037
  H     -0.19080067     -2.26152416      3.19338937
          69
 Energy    -249.18027651256909     
  O     11.70570037     10.27982471    -10.26932092
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  H     13.70317352      7.80727236    -16.68288031
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  H     11.04970528     10.27929069    -10.97821396
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  H     13.95185682      7.99845315    -14.65648903
  H     17.39088456      6.62967314    -18.12490694
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  H     15.36626189     12.21830668    -14.09404421
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  H     17.20061902      8.69860118    -11.37888271
  H     16.24234225     13.22114453    -13.30103412
  O     15.83378775      4.79817546    -11.46183283
  H     18.63078027      8.82717903    -10.80544946
  H     15.92910462      7.23344934    -14.30559203
  O     12.54625326      5.86777274    -12.99141476
  H     16.73253408      9.96644278    -17.07158310
  H     16.25666181      8.76686543    -14.22096007
  O     15.39618569      8.67869342    -11.39294788
  H     17.67954771      9.76034564    -15.86331373
  H     11.22097567      7.71973520     -8.44640787
  O     15.01512163     10.55078018    -17.66839213
  H     12.48488322      9.44927265    -14.38477823
  H     11.66030671      8.66998775     -9.58647429
  O     14.46489630      4.02656514    -13.91428622
  H     11.43193964     10.26228015    -13.58868526
  H     17.33095910      5.56903985    -12.18134793
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  H     18.16318680      6.86176053    -12.37180668
  O     14.21624203      7.96492316    -17.48701633
  H     15.36918630      4.38086822    -12.19641931
  H     10.97091255      6.68851319    -12.35462310
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  H     13.07497987      5.14824588    -13.35804218
  H     10.66865309      7.29671843    -10.97134267
  O     15.98050617     12.30516134    -13.33979199
  H     12.98495781      6.12144548    -12.16594144
  H     16.75171672      5.94414503    -15.77393664
  O     15.57881550      8.09932771    -14.05966737
  H     14.89504385      9.50479358    -11.40382689
  H     17.17331210      5.67367359    -14.26571219
  O     11.58383367      7.73399396     -9.32782511
  H     15.41795710      8.37353006    -12.31430692
  H     13.45557450     11.42206644    -14.97145026
  O     18.00171450      5.98961543    -12.74335224
  H     14.66353482      9.64304103    -17.64160093
  H     14.46954510     11.46056948    -16.14629485
  O     10.35152459      7.25969235    -11.88250574
  H     14.84478980     10.88467606    -18.54549635
  H     14.37838503      7.33287656    -10.76866578
  O     16.46561214      5.58304247    -14.92575379
  H     15.15661884      4.55310309    -14.35155862
  H     13.08133029      6.89477923    -10.03902773
  O     14.22644446     11.89129909    -15.31762900
  H     14.47994595      3.16348896    -14.31983342
  H     14.65023984     11.53747418    -12.21002605
  O     13.80895393      6.57172921    -10.58383494
  H     17.08745732     10.86709074    -13.75528270
  H     13.38531167     10.73676492    -12.59704562
  O     13.94734718     10.98592648    -11.84731542
  H     17.93484825      9.67033089    -13.23254978
  H     10.05423672      8.91070988    -12.35590147
  O      9.97135934      9.86822065    -12.51757802
  H     15.02726878      7.44902945    -17.41401882
  H      9.04446064     10.04623777    -12.65094809
          69
 Energy    -249.18027274302619     
  O     13.28061188     13.45702745    -14.59210951
  H     13.99860203     13.82082239    -15.12299523
  H     18.38206097     11.09831593    -15.38645631
  O     18.03989161      6.81934922    -14.22125495
  H     13.00085950     12.65644068    -15.05475948
  H     15.92133660      8.64488615    -17.93958215
  O     19.36312601     11.18299468    -11.83385470
  H     17.72755710      7.12731280    -15.08035085
  H     15.67637894      8.68081249    -19.46564544
  O     17.51742377     14.02900397    -14.33964904
  H     17.29141214      6.36475227    -13.81502958
  H     16.24948427     11.45073195    -12.81247022
  O     15.68563905      5.92127727    -12.79348977
  H     19.08580824     10.26596584    -11.97458330
  H     16.85186790      9.99723620    -12.79388632
  O     15.69528894      9.85533241     -9.87324563
  H     19.48761990     11.56323725    -12.71059998
  H     13.93455734     11.26295729    -16.40220640
  O     13.45044947     13.57877576    -11.89475525
  H     17.05219194     13.81686806    -13.51768510
  H     12.83583479     10.19028156    -16.40931989
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  H     16.84053995     14.13368636    -15.01734025
  H     17.64290600      8.26990665    -11.55760094
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  H     15.85015623      6.42662827    -11.98176745
  H     18.22416359      8.11952545    -12.98489066
  O     16.70941760      8.11026823    -16.42234956
  H     15.40919169      5.04935409    -12.52030507
  H     15.26896200     13.32811478    -11.89494782
  O     14.49084983      7.48490357    -14.84295345
  H     14.86086953     10.21784094    -10.20753187
  H     16.61884164     12.88237026    -11.22714602
  O     17.57472447     10.62130419    -15.60733793
  H     16.32355693     10.58306265     -9.82873619
  H     18.87119202     12.96474662    -14.46032454
  O     15.39663573      9.06898159    -18.64056569
  H     12.88653216     14.28058857    -11.58137086
  H     20.35903648     12.70825453    -14.80591588
  O     16.24282211     10.59091320    -13.25247098
  H     13.33646957     13.53871850    -12.86175144
  H     18.30330551     11.74585319    -10.57828457
  O     13.07873263     11.03978834    -16.01353491
  H     13.70784307      8.61772303    -17.74408931
  H     18.07590460     12.36067156     -9.17587730
  O     18.11351672      8.74341146    -12.25256709
  H     13.40099343      7.97171985    -16.38237849
  H     15.47533137     10.83587303    -17.90819665
  O     16.19855863     13.12578830    -12.06194731
  H     16.64452250      6.93771295     -9.67000309
  H     16.33452642     11.29092724    -16.70968265
  O     19.56282660     12.27845322    -14.50549240
  H     16.04859188      8.24175121    -10.24415959
  H     13.31626440     11.79063488    -11.21512642
  O     17.61911895     12.01839156     -9.93940839
  H     17.09880650      8.94873238    -16.13218978
  H     13.30379991     10.39391487    -11.84920915
  O     15.59404963     11.55547322    -17.27701599
  H     15.93874897      7.92929423    -15.86166471
  H     15.50497633     13.27627511    -16.77284533
  O     13.38613866     10.85307692    -11.00226676
  H     14.80917499      6.86688814    -14.17569954
  H     15.38124299     14.79280611    -17.03487876
  O     15.45760070     14.14405654    -16.33884601
  H     14.13680658      8.24454334    -14.35603848
  H     14.57621926     10.07350672    -13.43084661
  O     13.66164245      9.78467529    -13.58340661
  H     17.04334954     10.62239126    -14.79475359
  H     13.35307338     10.26372070    -14.36340719
          69
 Energy    -249.17996770528143     
  O     -0.97913268      4.30245038      3.10213940
  H     -1.31491409      3.76145534      2.36902321
  H     -0.86754234      7.90239088     -2.95552756
  O      0.69046037     11.31401479      0.60499460
  H     -1.07286626      3.78037919      3.89536282
  H     -0.34273885      2.04295212     -4.83517128
  O     -1.55861308      8.83615888     -1.43147858
  H      0.99239603     10.53981006      0.10961657
  H     -1.04295472      1.99612229     -3.45597706
  O      0.78098912     10.44128198      3.17744909
  H     -0.24819526     11.40078175      0.39629905
  H     -1.37849055      0.88118081     -1.56758366
  O     -1.97909990      9.83878065      2.65846851
  H     -1.83025638      9.65587825     -1.00062406
  H     -2.74729506      1.54333184     -1.81502960
  O      1.08456105      8.79718350     -0.58769514
  H     -2.01320737      8.11894649     -0.96545358
  H      1.06260052      1.86068113     -1.26989559
  O     -2.61727125      6.72148400      0.00458376
  H      0.81696600     10.84331946      2.29032414
  H      0.96061023      2.50980364     -2.66073346
  O     -1.58756976      7.03894948      2.57799680
  H      1.26371524     11.01828672      3.76240032
  H      0.79154621      4.76992305      2.33461675
  O     -0.77550433      4.85459531     -0.79518840
  H     -2.02501425      8.87728948      2.73534475
  H      1.50894409      6.08510711      2.00593241
  O     -1.73762156      2.92213126      0.84589465
  H     -1.10581507     10.08454268      2.98944538
  H     -4.91778349      2.12188159     -0.58404620
  O     -0.12668238      0.88709791     -0.11451546
  H      0.16425108      8.78937942     -0.88979935
  H     -4.08323050      3.33377600     -1.06098749
  O     -0.43930053      7.26819347     -3.54532901
  H      1.59331833      8.29195326     -1.23199035
  H     -1.29824128      4.16436646     -3.76004618
  O     -0.43506097      2.51632364     -4.01225179
  H     -1.93545449      6.08747945     -0.26880873
  H     -1.31534749      5.73025127     -3.58004061
  O     -1.99531193      1.13894490     -2.26425321
  H     -2.43661901      6.89691897      0.93615281
  H      1.97176310      4.01581951     -1.15470243
  O      1.52255110      2.45120272     -1.87848114
  H     -1.49926034      6.12428098      2.86896869
  H      1.98797413      4.91068988      0.15295223
  O      1.56572677      5.12598865      1.88701332
  H     -0.68954307      7.32807000      2.35432483
  H     -3.37403747      4.94796668     -2.41769754
  O     -4.02364369      2.43546240     -0.68679816
  H     -1.09043463      4.82180860     -1.70904980
  H     -3.76397246      5.63006704     -1.08911713
  O     -1.78276033      4.90445631     -3.37607524
  H      0.18340218      4.94799873     -0.81060105
  H      1.07954400      8.15040660      1.09062708
  O      2.01883953      4.92271813     -0.81535497
  H     -2.60158056      2.70437648      0.47368147
  H      1.06182114      8.68024131      2.54499680
  O     -4.02585353      4.93140978     -1.70190351
  H     -1.35893388      3.60398235      0.26527184
  H      2.21732870      6.27957566     -1.88427282
  O      1.02139736      7.87387533      2.01723362
  H      0.12437893      0.24788537      0.54743263
  H      3.05695264      7.04375093     -2.93582210
  O      2.23188901      7.06572461     -2.45847396
  H     -0.64602523      1.57282258      0.33628269
  H     -2.16740736     10.61214805      1.08888779
  O     -2.14395326     11.04949582      0.21884909
  H      0.48366525      7.22177253     -3.26931203
  H     -2.85132149     11.68882981      0.21402540
          69
 Energy    -249.17973748225518     
  O     12.46849210     10.07283046    -15.63480526
  H     13.03427494      9.38589127    -16.00440506
  H     19.44723579      8.49150895    -14.91703156
  O     16.48130972      6.22407631    -13.51486552
  H     13.03268638     10.84129337    -15.48186104
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  H     16.12583077      7.87928650    -14.13171535
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  H     16.92765455     10.11099025    -10.46229787
  H     17.78513975      7.08318711    -10.36486807
  O     14.80621430     10.55151240    -12.88683973
  H     16.99790294     11.35472603    -16.59642438
  H     17.13804005      7.79738305     -9.16557868
  O     17.36029866     10.23170596    -18.11976990
  H     17.38399812     11.60659888    -15.10890505
  H     11.94981935      7.12114658    -14.30345112
  O     14.91124867      5.66972132     -9.55045354
  H     13.53743501      8.58399443     -9.96915069
  H     13.06843393      6.19272604    -13.80056616
  O     18.28476911      8.39603761    -16.21567122
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  H     18.08933778     10.91787748    -12.90176365
  O     16.68595751      6.13912638    -16.32118072
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  H     17.84454321      8.60940943    -11.84754507
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  H     18.97054438      7.96056748    -12.68277339
  O     11.04611155      8.74132599    -13.74027159
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  H     16.44144025      9.98745729     -7.92850242
  O     17.32155728      6.92345720     -9.53259893
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  H     15.50719433      9.18746229     -8.86813008
  O     12.59757172      6.46851384    -14.59719061
  H     17.76221211     10.55594728    -18.92170111
  H     14.18322902      9.23321766    -19.25378743
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  H     15.81187795      6.04130983     -9.54495948
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  O     18.27215370      7.76318459    -12.04714607
  H     14.92578207      4.90395169     -8.98303558
  H     12.23592482      8.80184800    -12.30840069
  O     16.41086256      9.53808949     -8.76864490
  H     18.06954624      8.99336120    -16.94148990
  H     13.61468753      9.47439292    -12.09258450
  O     14.93526866      9.11414445    -18.67879425
  H     17.80192409      7.56666548    -16.35292470
  H     15.10386016     12.11885788    -15.33732998
  O     13.01027945      8.80894067    -11.73281341
  H     16.65452513      5.96211472    -15.36887018
  H     14.01339241     13.19210659    -15.11102208
  O     14.19036531     12.25944781    -15.02572651
  H     15.79601839      6.41616026    -16.55704558
  H     14.80980378      8.19201112    -15.75183091
  O     14.16706499      7.82162897    -16.37603268
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  H     13.57683330      7.25249948    -15.85926191
          69
 Energy    -249.17964827811704     
  O     14.35912611      9.44159042    -17.73059618
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  H     14.28365404      3.75841015    -12.71481458
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  H     20.29243638      7.37818435    -11.17288140
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  H     19.22637057      7.53970728    -16.67706435
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  H     17.13452297      7.02570253    -14.40820137
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  H     15.80691190      7.36340860    -15.16926151
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  H     20.17837426      8.55669488    -14.56757440
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  H     12.83733295      9.94682406    -14.92243341
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  H     13.30593208      5.75183568    -14.02331945
  H     17.92868186      7.93589277    -10.54884546
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  H     10.83438293      8.71396800    -13.89858731
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  H     17.86180211     11.50535424    -11.03482910
  O     16.38426556      7.63157973    -14.44281079
  H     16.50643442     10.73141098    -14.20983374
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  H     17.44806974      6.00951771    -17.42114128
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  H     16.62182741      4.51937836    -15.71386983
  H     16.96194505      4.80824882    -18.26720266
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  H     15.81976589      9.68096742     -9.67861849
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  O     16.78075365      5.29978570    -17.47095352
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  H     14.59416706      7.73904750    -17.07583122
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  H     15.32904713      6.35145891    -17.02583909
          69
 Energy    -249.17940289310323     
  O     -4.39641461     -0.32366037      2.70814351
  H     -4.42086643      0.12952660      1.85066795
  H     -2.22885896      2.74928171     -0.80088498
  O      0.12967409      2.58414300      3.71741783
  H     -4.14622183      0.35401675      3.34900468
  H     -6.45674813      2.89714908      1.70570961
  O     -2.08148065     -1.63207567      1.90808488
  H     -0.59291898      3.09299950      3.32447806
  H     -7.22736363      2.00756014      0.65662341
  O     -3.68656252      0.69335302     -3.03713898
  H     -0.26372587      2.09590487      4.45078614
  H      2.28773249      0.93576318      2.10474249
  O     -1.59528388     -1.00317759     -2.10682126
  H     -2.33054724     -2.23281299      1.19090396
  H      0.94764754      1.49246433      2.63925286
  O     -4.43131520      1.08055770      0.36057372
  H     -2.89607050     -1.24896812      2.26014910
  H     -5.10852200      2.81429443      3.74308859
  O     -7.96048772      0.33198273      0.10288123
  H     -2.97439859      0.09416325     -2.77881680
  H     -5.26820291      4.16102432      3.01066361
  O     -3.49873960      1.84094655      4.20810109
  H     -4.50160647      0.29631508     -2.70572458
  H     -2.77003739      4.39452746      2.44986398
  O     -3.16137670      3.25496323     -2.31599073
  H     -1.17178395     -0.62392874     -1.31915457
  H     -2.07286816      3.26281478      1.65270755
  O     -5.79521012     -0.40721299     -1.50048733
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  H     -4.34827435      6.44458032      2.15353768
  O     -5.67801568     -3.02150778     -0.47457679
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  H     -4.41843512      5.25299966      1.16930439
  O     -2.00964921      2.44082815      0.08754284
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  H     -7.16027974     -0.99102690      1.35896463
  O     -6.60378520      2.73452420      0.75956988
  H     -7.30398630      0.09416581     -0.57271342
  H     -5.90204610     -1.28497143      2.21204959
  O      1.34485621      0.79698969      2.08382833
  H     -8.81943713      0.21280776     -0.29572500
  H     -1.03656340      0.58686609      6.45425582
  O     -5.74740732      3.36505679      3.27455019
  H     -3.04157866      2.44889445      3.60859983
  H     -0.87833435      0.12357655      4.98740341
  O     -2.15799634      3.65391290      2.53519443
  H     -2.81687635      1.49260226      4.79557574
  H      0.46147617     -0.50554796      3.26918719
  O     -4.20516301      5.50458036      2.08582976
  H     -2.90024368      3.74599546     -3.09068597
  H     -0.82482815     -1.34938839      3.21230678
  O     -6.61014891     -1.70389683      1.70264359
  H     -3.39732105      2.36048497     -2.61966376
  H     -2.53801819     -2.38111419     -1.06545715
  O     -1.22967698      0.83383903      5.55394822
  H     -5.73658439     -1.34798266     -1.28871399
  H     -3.80278266     -3.02547486     -0.44412098
  O     -0.17303308     -0.97506874      3.82220842
  H     -5.22830461      0.06112444     -0.86428913
  H     -1.16155368     -0.50824328      0.83932519
  O     -2.84329440     -2.96133532     -0.35902855
  H     -6.15208357     -3.83809894     -0.60693784
  H      0.15134729      0.30980902      0.77210503
  O     -0.62259439      0.04881557      0.25649264
  H     -6.00697693     -2.63657127      0.35800206
  H     -4.37162582      4.16880278     -1.06900929
  O     -4.89164748      4.61376981     -0.39175577
  H     -1.46270663      1.64548955      0.03400915
  H     -5.60156446      4.00638387     -0.13760913
          69
 Energy    -249.17911145239856     
  O     10.38540079     10.35112907    -10.84289646
  H      9.61014369     10.26042966    -10.29544721
  H     12.72163464     12.28443255     -9.52265452
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  H     11.67664195     10.59319167    -18.25575130
  O     16.76163402     13.28044354    -14.35050362
  H     14.53368504      9.95087083    -11.93353903
  H     12.66719255     11.12640215    -17.19747966
  O     15.98005508      7.52641815    -12.94736378
  H     15.61183516     10.99439044    -12.38444849
  H     13.36833982     14.46822162    -15.41422099
  O     10.90745123     11.58234480    -13.30866669
  H     15.89512171     13.67733492    -14.50529559
  H     14.11362377     13.12531281    -15.64011608
  O     11.81623548     15.14438342    -15.95000780
  H     17.01297040     12.89758713    -15.19913694
  H     17.25480803     11.06035424    -16.52227647
  O     14.34087329     11.53199491    -16.61870070
  H     15.47596534      7.83310803    -13.70804066
  H     17.75317654     12.07604258    -17.58159877
  O     14.76827550      9.95059163     -8.79911494
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  H     13.45819003     13.61373526    -11.07269846
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  H     13.45518876     14.75555373    -10.02840902
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  H     11.67059367     12.13221146    -13.07968838
  H     17.70524983      9.40813286    -14.88125832
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  H     11.25438125     15.88030835    -16.17474931
  H     16.31956660      9.29956521    -15.54294171
  O     12.37759027     11.40180634     -9.33905480
  H     11.23755523     14.36360896    -15.91148611
  H     15.31596813     12.91622372     -9.90577992
  O     11.76118520     10.80176856    -17.32853463
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  H     15.71040168     11.50532258     -9.44419871
  O     14.09840541     13.91977088    -15.09081013
  H     14.41049079     10.78431260    -16.00967197
  H     11.61373075      9.68399970    -15.74433895
  O     17.10260576     11.94723092    -16.89711242
  H     15.00397208      9.44037486     -8.02849887
  H     11.48653230     10.14872729    -14.28597429
  O     13.63082035     13.82487763    -10.13845860
  H     14.62565298      9.31539145     -9.52254983
  H     11.26286558      8.90518885    -11.69835041
  O     17.24182671      9.52387396    -15.72033832
  H     13.50809269     13.38633164    -13.49665717
  H     11.73864715      8.44788182    -13.09312565
  O     16.06025197     12.30441172     -9.85758619
  H     13.73306959     12.12875384    -12.60350623
  H     16.99350273     11.98895674    -11.35732832
  O     11.76281911      9.39903827    -14.83533876
  H     14.67325368      9.81538511    -14.06465302
  H     17.16474818     12.31582198    -12.90145517
  O     11.82807911      8.26575795    -12.15129034
  H     13.57837813      9.14691373    -14.91723602
  H     10.74248111     12.14654225    -16.38844256
  O     17.29184548     11.64473174    -12.21248675
  H     17.97924378     10.12043982    -12.73127550
  H     10.40907926     12.42290052    -14.91048966
  O     10.38163942     12.81428680    -15.79379615
  H     19.13722148      9.09568416    -12.75713329
  H     14.91953290      7.95410718    -11.55365164
  O     14.28890366      8.39912735    -10.96939491
  H     13.13953805     10.87903938     -9.06193196
  H     13.40015395      8.25202589    -11.32783590
          69
 Energy    -249.17907590251741     
  O     13.76263950     11.74631154     -8.32943995
  H     13.82386236     11.64840129     -7.38299809
  H     13.71916265     13.04372166    -12.41539607
  O     11.11613139     10.80686080    -14.87216285
  H     13.89919247     10.85862234     -8.71179774
  H     11.91737059     13.83617992    -15.46660307
  O     13.97998420      9.35101503     -9.51642840
  H     11.60569841     10.84424355    -15.70274798
  H     12.63299532     12.99066595    -16.54244805
  O     18.59577437     13.02048675    -13.47868623
  H     11.07487641     11.71338151    -14.53284884
  H     15.48132521     11.66930737    -12.77028406
  O     11.68978705     12.34434805    -10.12197879
  H     14.66977473      9.12802122    -10.15813411
  H     14.10278424     11.03689888    -13.19632496
  O     11.51508008      9.61809215    -10.90285825
  H     13.13020568      9.18807837     -9.94219661
  H     16.58489346     13.09803872    -15.74707146
  O     12.97966756      9.63362832    -13.22580600
  H     19.53872812     13.08936933    -13.60290723
  H     16.83220538     11.60332704    -15.97980727
  O     15.04400541     15.45400573    -10.98407488
  H     18.21606719     12.77353229    -14.34044418
  H     13.77415167     10.83774279    -16.64800700
  O      9.41616767     10.03594531    -12.66197422
  H     12.29463732     12.20188018     -9.38269994
  H     12.94109392     10.88313560    -17.94687440
  O     15.09218236     14.00026071    -15.06925655
  H     12.19364597     12.84859168    -10.77815594
  H     16.42006047      9.73610362    -11.54018442
  O     11.01157109     13.38765050    -13.79191423
  H     11.57349255     10.53103045    -10.58946256
  H     15.81278583      8.55940430    -12.33203314
  O     13.13732748     13.71551058    -12.03485167
  H     10.71176718      9.57583812    -11.44207623
  H     14.81998484      7.14551574    -14.19574606
  O     12.57629066     13.87907776    -16.17022694
  H     12.55069745      9.55112155    -12.36419712
  H     14.24178369      8.52058080    -13.78577285
  O     14.69114605     11.79591959    -13.31728919
  H     12.31527929      9.97305402    -13.84131537
  H     15.33146480      9.48395402    -15.34670860
  O     17.28706268     12.43310523    -15.80087826
  H     15.68010477     15.40124005    -11.72139091
  H     15.16301230     10.95461397    -14.95102051
  O     12.92465154     11.12006174    -17.02236169
  H     15.06919277     16.35019746    -10.66105829
  H     16.66123517     12.02801164    -11.02485633
  O     15.93643966      8.90399817    -11.44278804
  H      9.22172518     10.92201541    -12.33133766
  H     17.61087056     11.98709939    -12.27615519
  O     15.03875110      8.07117862    -14.11922269
  H      9.82868654     10.16599676    -13.52468921
  H     10.08360922     12.60463159    -10.95834639
  O     15.27853304     10.37466872    -15.71673142
  H     14.25075984     14.12459669    -15.52870560
  H      8.63877744     13.13523927    -11.08032802
  O     16.93252038     11.50054763    -11.79391726
  H     14.93982168     13.28450591    -14.43746993
  H     17.42145236     14.52428122    -13.13426291
  O      9.33905946     12.71327655    -11.57252993
  H     11.77868375     13.61657312    -13.24681603
  H     16.12589487     14.93741087    -13.85613888
  O     16.68334388     15.14252413    -13.09213465
  H     10.28515436     13.27484605    -13.16757667
  H     15.17620212     12.62810130     -9.25310353
  O     15.89304682     13.00040396     -9.78042790
  H     13.70593428     14.40736348    -11.67435386
  H     15.60642607     13.87661390    -10.06341345
          69
 Energy    -249.17907315486497     
  O     15.18200222      9.75005739    -15.85176975
  H     15.78686626      9.46138080    -15.15462602
  H     12.25741175     10.77260148    -14.21518890
  O     14.58742370     13.33381559    -15.04122502
  H     14.44082883     10.16063924    -15.39153270
  H     16.37310853     10.28258952    -18.72500786
  O     19.37358808      9.72177626    -11.12154174
  H     13.94542713     12.67093095    -14.76539792
  H     15.99994641     10.44378818    -17.23469638
  O     20.45620094     12.11181592    -12.13299931
  H     15.45364608     12.96164244    -14.81226807
  H     19.97646993     15.95611538    -13.26862049
  O     14.09717535     10.73715150    -11.64138755
  H     19.84536261     10.55158951    -11.28187030
  H     21.23062044     16.00483399    -14.16275390
  O     16.83998513     10.79179374    -11.24977710
  H     19.53508464      9.19955674    -11.91530433
  H     19.97865327     11.44240104    -15.47714079
  O     17.00623570      9.46803674    -13.75720020
  H     21.17650027     12.74403515    -12.01742978
  H     21.39066355     11.76687928    -14.90273976
  O     15.37746182     13.49278870    -17.71701146
  H     20.48449754     11.81630016    -13.05316895
  H     16.22791213     14.99213624    -17.66500604
  O     19.05072764     14.77503629    -16.42182571
  H     13.66170320     10.80659911    -10.79480119
  H     16.44718595     16.42670978    -18.20342960
  O     22.44213383     14.06821277    -12.12629967
  H     15.04671668     10.73251574    -11.44482723
  H     20.71169584     15.29482966    -16.21247585
  O     18.60391186     12.04869808    -16.53716787
  H     17.66491143     10.33451621    -11.02792343
  H     21.95515918     16.08818686    -16.67928882
  O     13.17772428     11.02367433    -14.21433291
  H     17.08387379     11.71552339    -11.39960433
  H     17.31600270     15.72149926    -13.94111147
  O     16.48567650     10.85606709    -17.97163641
  H     16.89680303      9.78483034    -12.85083945
  H     18.56437129     15.12583502    -14.60011662
  O     20.93967098     16.02287187    -13.24194077
  H     17.91173994      9.14059592    -13.83318160
  H     22.70980656     13.36841309    -13.91535152
  O     20.62611858     11.17832667    -14.81032611
  H     14.97231085     13.43148260    -16.83997820
  H     22.33859387     13.89522718    -15.30791052
  O     16.71126088     15.82518150    -17.51281668
  H     15.73671469     12.61878562    -17.90464405
  H     20.12487034      9.57399733    -14.21445782
  O     21.62351597     15.53741397    -15.97505277
  H     18.29485244     15.20724522    -16.84105658
  H     20.23528319      8.03328939    -14.19358654
  O     18.21944205     15.42943581    -13.75060275
  H     18.95143235     13.82361818    -16.56416968
  H     16.95775260     11.24195697    -14.21489005
  O     22.58250932     13.09203263    -14.83128376
  H     23.06347222     14.42489915    -11.49798586
  H     17.34067504     12.60177789    -13.55756070
  O     19.72952061      8.76466972    -13.84859935
  H     21.90334765     14.81427350    -12.44728561
  H     15.18337706     15.12651727    -14.77095205
  O     17.00654482     12.19486661    -14.36729259
  H     18.04085097     11.60404757    -17.18064463
  H     15.98498796     16.05164831    -15.69626145
  O     15.71676664     15.93235821    -14.77735975
  H     18.03976006     12.17581426    -15.75545815
  H     18.01833333     14.12491709    -12.47420978
  O     17.95485837     13.27599309    -12.01460405
  H     13.49596189     10.90988303    -13.30245568
  H     18.85408957     12.91723757    -11.97267563
          69
 Energy    -249.17901195192371     
  O     -1.30521756      6.20031364     -0.62135430
  H     -1.21164278      5.32240551     -0.22075484
  H     -1.77471860      4.25785617      5.27534979
  O     -4.71718770      3.69790531      6.54019294
  H     -0.68343086      6.79929138     -0.19051365
  H     -5.94994658      9.04669133      1.81693037
  O     -5.05331354      7.30772461      4.46868174
  H     -4.86480779      4.61384059      6.83908755
  H     -6.90307077      9.81714464      2.75982564
  O     -3.68756861      9.63274306     -1.70071525
  H     -5.22202067      3.13274171      7.11795798
  H      0.98548786      8.57561420      0.75061580
  O     -4.73155844      4.61288120      3.88065662
  H     -5.53524269      7.92931582      3.91135473
  H     -0.54621846      8.81909884      0.70682611
  O     -6.55734858      6.14110942     -0.72762254
  H     -4.18016470      7.69848673      4.62150942
  H     -5.36782474      4.73813349     -3.31140383
  O     -3.52926605      6.67996276      1.03967810
  H     -3.66929029     10.23326927     -2.44064403
  H     -5.55589490      5.36195988     -1.90784961
  O     -1.45808809      3.77080637      0.61599107
  H     -3.46177933      8.75077760     -2.04839700
  H     -3.01378174      9.74091768      3.66365630
  O     -3.06896512      7.12028078     -2.51736490
  H     -4.81330123      4.16723893      4.73200103
  H     -4.29915779     10.00966845      2.86822918
  O     -2.53048859      8.38351683      4.92652449
  H     -4.86725103      5.55876863      4.04455746
  H     -4.01352231      6.61777006      7.31813592
  O     -5.36605852      4.54888803      1.22506225
  H     -6.29704050      7.03570235     -0.47489008
  H     -5.14692729      6.75661704      6.28548854
  O     -1.93503105      4.35833169      6.22223229
  H     -6.34147586      5.57963136      0.03140232
  H     -2.92015488      4.39000605      3.50356408
  O     -6.11768983      9.27617631      2.74684852
  H     -2.84433682      6.49448325      0.38219212
  H     -1.65559231      5.23930005      3.22777492
  O      0.14329532      8.13790059      0.82916176
  H     -4.10682550      5.90880361      1.10040122
  H     -4.20827158      3.62969273     -1.34005151
  O     -4.92336798      4.89117545     -2.48116200
  H     -1.60340603      3.82392320      1.56955542
  H     -4.05659558      2.12787658     -1.01433578
  O     -3.35329066     10.19129350      2.87996071
  H     -2.26434656      3.41075128      0.22860670
  H     -1.50860547      6.95926897      8.00401402
  O     -4.91949647      6.34204911      7.12871653
  H     -3.68674305      6.38521385     -2.58490053
  H     -1.95836577      5.97554737      6.89791213
  O     -1.96323872      4.33226037      3.37378076
  H     -2.33931727      6.79570298     -1.96856283
  H     -2.47812879      9.86687903     -0.20332384
  O     -3.93604808      3.00246361     -0.65111632
  H     -2.03884258      7.90319378      4.24191965
  H     -2.39483502     10.03971393      1.34070776
  O     -2.09937936      6.86826583      7.26129909
  H     -2.30403533      7.97870563      5.77225081
  H     -4.68558807      7.93222439      0.55584011
  O     -1.87033229      9.87523256      0.54289823
  H     -4.90487895      3.85062430      0.74480025
  H     -4.94510257      9.06047972     -0.46064354
  O     -5.37016210      8.54091341      0.23207419
  H     -5.22946469      4.42068620      2.17433852
  H     -0.75496514      7.36993392      2.26919977
  O     -1.44975646      7.00440232      2.82944499
  H     -2.80648949      3.97610588      6.38389893
  H     -2.25069233      6.97727760      2.28211211
          69
 Energy    -249.17891735766580     
  O     12.60659285     10.12471095    -15.26768309
  H     13.17389342     10.88312924    -15.47872023
  H     18.19712951      8.16561302    -15.45034743
  O     15.64281256      6.52850605    -13.09525751
  H     12.13535010     10.28191842    -14.44292045
  H     15.30239840     12.06037437    -15.60199626
  O     17.77720253     10.03828454    -11.28276500
  H     16.52413723      6.74360127    -12.76374304
  H     14.89606187     11.22021700    -16.84000543
  O     16.62535834     12.53225394    -14.32564752
  H     15.31617825      7.33291775    -13.53056482
  H     15.54628943      8.72262921    -15.06890205
  O     12.56404438      6.08159029    -15.88217765
  H     16.90529715     10.31010316    -11.60492349
  H     14.09608259      9.17149943    -14.69585503
  O     14.69867045      9.11052417     -8.48076884
  H     17.71509926      9.95991377    -10.32333091
  H     10.52179678     10.30813636    -12.37023172
  O     13.62010681      6.87092870    -11.29659702
  H     16.94976144     13.42833972    -14.28529736
  H     11.98608209      9.92946188    -12.06040899
  O     15.38670452     10.79743959    -12.46811793
  H     17.40085492     11.95141737    -14.22971428
  H     17.73249442      6.83829460    -10.47250279
  O     16.70932682      8.12016403    -16.37960541
  H     12.30435244      6.46930371    -15.02837925
  H     17.52854110      7.66414404     -9.18659493
  O     14.81584345      6.27121475     -8.83176998
  H     11.94429969      5.37776347    -16.05725849
  H     11.54627689      8.07422880    -13.34056769
  O     15.39439176      5.79652535    -15.81259703
  H     14.62261823      8.14760004     -8.47917070
  H     12.35938308      6.94824297    -12.68331578
  O     18.98210439      8.19974023    -14.87701383
  H     14.16156742      9.41844723     -9.22123794
  H     18.56201417     10.64299964    -12.88164949
  O     14.55593787     11.81746622    -16.16308837
  H     13.89479979      6.56666757    -10.42384611
  H     18.86901432     10.00236909    -14.24638862
  O     14.93961042      8.87277022    -14.33295438
  H     14.34579464      6.64994474    -11.90077915
  H     18.01556117      8.34852595    -11.89916629
  O     11.32251650      9.97558603    -12.76791504
  H     15.68554891     11.55842059    -12.97897010
  H     18.52511733      7.57691853    -13.12994815
  O     17.38102350      6.79251570     -9.57530763
  H     15.26548909     10.08447618    -13.11657031
  H     17.70356445      9.84652448     -7.74680515
  O     11.84856164      7.16986652    -13.47316408
  H     16.29357212      8.64098075    -17.07775015
  H     16.41383115      9.43247338     -8.49649096
  O     18.69746373     10.84838575    -13.81696525
  H     16.26723432      7.25664102    -16.32467552
  H     15.23185648      9.91094284    -19.03393549
  O     18.13277780      7.45557749    -12.25706125
  H     14.78717789      5.53333179     -8.22897452
  H     14.37984000      9.23409363    -17.93439931
  O     17.38335307      9.49053426     -8.57101936
  H     15.74323953      6.36793759     -9.11463796
  H     13.49855998      8.69010142    -11.10563527
  O     15.21044140      9.71791759    -18.10042860
  H     14.43413184      5.82793527    -15.91032475
  H     14.08377691     10.11204002    -11.41689211
  O     13.37581682      9.64005842    -10.95421474
  H     15.55025687      5.80028212    -14.85858756
  H     12.64159136      9.07106012    -16.73014764
  O     12.92882560      8.44998950    -17.41678559
  H     19.71009069      7.85964773    -15.39146534
  H     12.80275175      7.57585804    -17.03072659
          69
 Energy    -249.17876327088743     
  O     17.67895852      8.41252322    -15.44859373
  H     16.72020056      8.47077439    -15.34304240
  H     16.13276832      5.93225773    -16.71012919
  O     16.77234028      1.78254216    -12.84031380
  H     17.84663542      7.57798787    -15.89778502
  H     18.43046650      1.49776848    -12.47290009
  O     20.70664354      6.17712687    -13.31343674
  H     16.67133376      2.19139914    -13.70842397
  H     19.61828600      0.67912573    -11.90307613
  O     14.14662691      3.71826353    -15.91055646
  H     16.21307743      2.26558990    -12.22072838
  H     13.34148690      6.21749925     -9.66448516
  O     17.89522438      5.52974489    -16.13035137
  H     20.38845594      5.48622704    -12.71484898
  H     14.00158410      7.57649362     -9.37779776
  O     13.60228382      4.41006188     -9.07472853
  H     20.74847076      5.76692998    -14.18430185
  H     18.76184454      4.44568193    -11.04318147
  O     16.77023762      7.69587033    -10.97496352
  H     14.42892846      4.56657085    -16.30041388
  H     19.41963087      3.28814100    -11.87336177
  O     19.60131591      2.36105794    -15.05949660
  H     13.36241373      3.44196640    -16.37586975
  H     14.47811675      4.39584985    -14.20228503
  O     17.37338538      5.08821230    -10.02438113
  H     17.72408206      5.54493481    -15.17380688
  H     15.72673153      4.99557707    -13.47251635
  O     17.43582579      5.48398874    -13.44055635
  H     18.83826733      5.34318516    -16.22525286
  H     19.47950790      7.46696510    -13.02292646
  O     20.56640305      4.76779945    -15.86974428
  H     12.96757980      3.75946079     -8.78477541
  H     18.40444864      8.30309529    -13.79198031
  O     15.17617638      6.06566039    -16.73346801
  H     14.14206440      3.98563845     -9.76155285
  H     14.42650142      6.45033683    -12.80094657
  O     19.39787025      1.49286767    -12.34709135
  H     17.50527714      7.94117101    -11.55489128
  H     13.91322005      7.36438083    -11.65342047
  O     13.37581008      7.13423189     -9.96477849
  H     15.98244672      7.61234949    -11.52929174
  H     16.07082880      3.99351478    -10.71227858
  O     19.32235714      4.24527699    -11.80630580
  H     19.67672486      2.01201405    -14.16320806
  H     15.00183440      3.93524292    -11.84405224
  O     14.77989250      4.79802318    -13.38068197
  H     18.66502030      2.30499699    -15.28574426
  H     17.20454727      3.70946564    -15.81737744
  O     18.65614599      7.96809370    -12.91945178
  H     17.02138509      5.11984724     -9.12339268
  H     15.87510871      2.95345900    -15.74350322
  O     14.40106356      7.36748734    -12.49053911
  H     17.21745061      5.96412873    -10.40263095
  H     15.08804299      5.07831830     -8.00767224
  O     15.31379048      3.48727887    -11.04304076
  H     18.04729917      4.90263611    -12.96879913
  H     15.82170045      6.41635687     -7.81513357
  O     16.81362481      2.87480209    -15.53117980
  H     17.73408490      6.38412703    -13.25311408
  H     16.11574108      8.10481876     -9.35860454
  O     15.92442704      5.46089328     -7.71469322
  H     21.32886850      4.66006775    -16.43240675
  H     15.86608442      9.03468519     -8.14968067
  O     15.62204779      8.19272043     -8.52533689
  H     20.30789365      3.87661292    -15.57314655
  H     14.66737424      8.08021603    -14.10867980
  O     14.85436548      8.34679181    -15.02362024
  H     14.99783008      6.84813595    -16.19723008
  H     14.28767854      9.09212506    -15.21003803
          69
 Energy    -249.17868828847273     
  O     16.23832279      3.14865523     -7.08280609
  H     16.08255634      2.21152017     -7.00576480
  H     15.27329808     10.88640782    -14.24261539
  O     19.48281994     10.23643078     -7.95798671
  H     15.46042723      3.59631836     -6.70423040
  H     16.92841880      5.88808173    -10.76782029
  O     14.23659116      4.68939372     -6.07075925
  H     19.33752064     10.92734971     -8.61468516
  H     16.82360313      7.40912355    -10.92255115
  O     13.91614751     10.65309593     -7.53306518
  H     20.02010084      9.55578692     -8.38488845
  H     19.20907458     12.87840240    -10.35184912
  O     17.85825726     10.29329464    -11.85043330
  H     14.14256576      5.29292530     -6.82188303
  H     18.51327381     11.55246124    -10.73903422
  O     20.80365909      8.01540274     -9.25253775
  H     14.60911101      5.22466670     -5.35978957
  H     17.37813400      4.31871633     -6.04295313
  O     14.77477445      7.76091053    -12.79918663
  H     14.24680793      9.94795012     -6.96234997
  H     18.35577619      5.48359692     -6.27069788
  O     14.55829460      6.49316915     -8.18562432
  H     14.68367998     11.14056710     -7.85793773
  H     11.39701609     10.57007993     -9.49448708
  O     17.41440196      8.55611589     -7.49586582
  H     17.20950289     10.42863366    -12.55210898
  H     12.80972718     10.48546218     -8.86437018
  O     16.07050406     11.65957347     -9.09272617
  H     17.38049280      9.80243276    -11.16320332
  H     16.71280382      8.72753036     -9.07589226
  O     14.99825512      8.39423433     -6.18738608
  H     21.73692092      7.90184034     -9.41324049
  H     15.42624242      8.69719842    -10.00337346
  O     15.55772969     10.47742833    -13.42948062
  H     20.36594597      7.98550132    -10.12172905
  H     19.71596088      6.74743686     -8.28670192
  O     17.00992104      6.59915876    -11.41716582
  H     15.08978119      8.62092588    -13.10270118
  H     18.37519972      7.11295598     -7.63814833
  O     18.74378035     12.12811614     -9.99064027
  H     15.55537103      7.24145840    -12.56725696
  H     17.63347364      5.45759470     -8.70719412
  O     17.79256452      5.07147612     -5.60343491
  H     14.14021838      6.93829854     -8.93505825
  H     16.64436438      4.28025463     -8.54252302
  O     12.30804942     10.37281367     -9.69298388
  H     15.34284944      6.04037205     -8.52210313
  H     13.14276463      8.79471538    -10.17871605
  O     16.35465015      8.96269956     -9.94541890
  H     18.06284840      9.27603684     -7.46225772
  H     13.93479292      7.92125926    -11.22695569
  O     18.95710783      6.36077211     -7.83785519
  H     16.68942371      8.68852725     -6.87512794
  H     19.08176555      8.81738469    -11.86562166
  O     16.83620953      5.05598500     -9.08360933
  H     16.12847449     10.72751459     -9.34745703
  H     18.74997755      7.32966244    -11.67439643
  O     13.74914541      8.05223785    -10.28468551
  H     16.95040807     12.02044654     -9.24741561
  H     16.54780851      5.98241154     -4.74858574
  O     19.47164354      7.96970237    -11.61898646
  H     14.79875323      7.76599939     -6.89960182
  H     15.91488379      6.36742309     -3.39260062
  O     15.77984646      6.41596232     -4.33531906
  H     15.20505985      7.85091749     -5.41674200
  H     14.89851127     11.84784356    -10.59617448
  O     14.29283995     11.62457818    -11.31407496
  H     15.06230344     10.90895435    -12.70967317
  H     13.50993052     11.26282338    -10.88170964
          69
 Energy    -249.17847477542847     
  O      1.14116838      1.81696968      2.96404245
  H      1.39818053      0.92217183      3.20761754
  H      1.68103466     -3.80179586      1.97859406
  O      0.64119719      2.96624367      0.58399396
  H      0.42189408      2.06343479      3.56653012
  H      0.39060058     -4.12010713      3.87327506
  O     -0.99035396     -1.46551147      4.92297599
  H      0.86275745      2.54443034      1.43510216
  H     -0.60925664     -3.27875893      4.69022056
  O      1.25453574     -3.66863871     -2.43052056
  H      1.03270746      3.83508269      0.60059840
  H     -3.95572215     -0.38959256      4.19185298
  O     -2.08152861     -1.31975349     -3.63216885
  H     -1.24733654     -0.81978681      5.59187009
  H     -3.94660032      1.14960754      4.05896321
  O      0.76624291     -1.12019245     -3.19233497
  H     -1.74199274     -1.53824266      4.31702213
  H     -2.44541684     -0.70551149     -0.07781921
  O     -3.40707071      2.58682628      2.98403145
  H      1.85877914     -4.07996910     -3.04255583
  H     -2.32123504     -2.19613982      0.41015969
  O     -2.73864473     -4.63152260      2.90187269
  H      1.16120985     -2.73959656     -2.71044133
  H     -1.86628682     -3.92885066     -1.57127215
  O     -2.08573784      0.44473707     -1.45189577
  H     -2.57971626     -1.41788137     -4.43906294
  H     -0.67012757     -3.85826022     -2.53554902
  O      0.68677905      0.74889615     -1.11224002
  H     -2.00576619     -2.20741670     -3.23860424
  H      1.15636689     -3.71778393     -0.58598175
  O     -3.21206836     -1.82835912      3.25559546
  H     -0.15618754     -1.09302585     -3.47375540
  H      0.77332272     -2.67179856      0.49833907
  O      1.98660092     -3.74926948      2.89945815
  H      0.87288532     -0.40128663     -2.55454913
  H      0.55284159     -1.09389618      4.05862066
  O     -0.47414443     -4.15289987      4.29850398
  H     -2.99672249      2.49632366      2.10646475
  H      1.71992723     -1.87389351      3.40314518
  O     -4.09328689      0.42916662      4.68657040
  H     -3.93185494      3.38310063      2.95136546
  H     -0.64151024     -1.03253586      0.97646394
  O     -2.43105666     -1.27897684      0.69913790
  H     -1.91502022     -4.54035241      3.41504013
  H      0.66019462     -0.89349680      1.83443087
  O     -1.62709384     -3.74193888     -2.48823942
  H     -3.20876104     -5.37799725      3.26358218
  H     -1.81579822      2.53161741      4.03918516
  O      0.94545564     -3.61651191      0.35047536
  H     -1.13170030      0.60303021     -1.39600177
  H     -1.27805864      1.85244826      5.30836549
  O      1.34416085     -0.99246944      3.50778368
  H     -2.22205695     -0.08239508     -2.24872810
  H     -2.87946502      0.52991732      5.93528126
  O      0.32445381     -1.02967914      0.93920717
  H      0.78304574      1.60340129     -0.67415269
  H     -2.39461250      0.72079521      7.39417518
  O     -1.01729985      2.41124677      4.56776502
  H      0.67068343      0.09411376     -0.39658270
  H     -0.89353110     -3.98208877      0.38581388
  O     -2.08877812      0.56516572      6.50527104
  H     -3.01079411     -1.50873287      2.36299733
  H     -2.21140930     -4.30829106      1.14197927
  O     -1.85739396     -3.98911923      0.30249483
  H     -3.23095091     -2.79013962      3.19782322
  H     -1.23808317      2.67717827      0.57677232
  O     -2.17658761      2.45058749      0.57721557
  H      2.80990920     -4.22946030      2.94339013
  H     -2.31081991      1.84796182     -0.16289016
          69
 Energy    -249.17801539818220     
  O     17.81148282     10.85897542    -16.62940770
  H     17.82088546     10.17325857    -17.29332572
  H     17.88607338     13.71754491    -16.65519586
  O     18.97569754     17.81776674    -14.34253962
  H     17.78493259     11.70526834    -17.10529541
  H     13.55573532     13.62275436    -11.32636156
  O     20.48676598     11.50604778    -15.57453265
  H     19.14100494     18.31678968    -13.53322133
  H     14.23671379     13.82472943    -12.70058485
  O     16.48338670     15.63740859    -11.55800371
  H     18.10968280     17.39476754    -14.24624733
  H     21.38532235     15.89320305    -15.14509199
  O     14.75968450     15.99444840    -16.28687089
  H     19.60692512     11.16680263    -15.77055404
  H     20.31557660     16.56852003    -14.25979784
  O     16.59435716     11.89987271    -11.94893596
  H     20.39823184     12.06323337    -14.78845093
  H     17.88710508     14.44398103    -11.38324422
  O     14.12639287     13.78874330    -14.45084517
  H     16.49383869     15.97539128    -12.46442252
  H     19.20714179     14.22498465    -10.61188573
  O     20.68484025     13.39537966    -17.59178683
  H     15.71366099     15.05843911    -11.49310160
  H     16.31654325     11.64818059    -13.70290167
  O     21.60149848     15.84022485    -16.99614790
  H     14.02000072     16.48540078    -16.63815435
  H     16.62023603     11.28548827    -15.21232290
  O     18.20755828     17.31347245    -10.12710302
  H     15.44035121     15.98879904    -16.97792352
  H     19.90731420     16.69142910    -17.14422458
  O     20.07577095     13.43548182    -13.56194539
  H     15.82876371     12.45200590    -11.74520475
  H     18.99988001     17.48587173    -16.19039757
  O     17.84351760     13.48086915    -17.59673256
  H     17.36206626     12.38766632    -11.62595160
  H     20.96456179     17.66327494    -11.68367546
  O     14.39905422     13.78313341    -11.74118237
  H     14.70342773     13.03438571    -14.64360802
  H     21.52572709     16.49482231    -12.51210528
  O     21.05584892     15.94474710    -14.23960589
  H     14.32188055     14.46278170    -15.10889722
  H     18.99988778     18.42466466    -11.20568394
  O     18.60256770     13.80854479    -11.23885432
  H     19.73893028     13.44873543    -17.77190887
  H     19.55437650     19.84140152    -11.48921055
  O     16.06996273     11.81731977    -14.62645695
  H     20.77761087     12.70117388    -16.92293373
  H     20.80164791     15.87327181    -10.34872093
  O     19.02886265     17.08311750    -17.06773707
  H     21.32712561     14.93470837    -17.23163144
  H     20.90007361     15.24036060     -8.94002917
  O     21.49279183     16.85829088    -11.61739847
  H     22.39302529     16.02686764    -17.49299650
  H     18.59141496     13.79285354    -14.47524027
  O     19.52561627     18.95291805    -11.83346890
  H     17.50557042     16.78948423    -10.53699249
  H     17.13420208     13.28697695    -14.72987361
  O     20.30013198     15.39396778     -9.66461647
  H     18.85986888     16.67872872     -9.80638026
  H     17.59904514     16.44653418    -17.79200659
  O     17.75484210     14.00640844    -14.90964562
  H     20.50999373     14.28074319    -13.74557483
  H     16.75463693     16.44577403    -19.08567923
  O     16.80266045     16.06931811    -18.21060845
  H     19.63915879     13.50771444    -12.70207745
  H     17.08037509     15.54089153    -14.45447622
  O     16.64037852     16.37617543    -14.22146635
  H     17.43085946     14.23908733    -18.02085684
  H     15.89470862     16.44747199    -14.82581899
          69
 Energy    -249.17735227175723     
  O     12.56413338     10.11507972    -12.64065043
  H     12.72146325     10.74988900    -13.35089432
  H     15.90970910      5.59403684    -17.27575564
  O     14.18263121      6.54990421    -14.74606250
  H     13.40191712     10.06296505    -12.15623467
  H     17.82763148      9.01955388    -16.94664167
  O     17.51824033     10.82919200    -10.65474873
  H     14.18780644      6.10756810    -13.88511294
  H     17.43796171      7.57614762    -16.57140878
  O     16.90731299     10.49357700    -17.69480343
  H     13.35142804      7.04169732    -14.79575229
  H     14.39453154     11.50154809    -14.85592428
  O     11.85528615      8.01178127    -14.44683008
  H     17.78046982      9.92154564    -10.41060618
  H     13.35567924     12.63976302    -14.97673212
  O     16.29775806      6.38848272     -9.19073508
  H     17.83329534     11.40380898     -9.96278607
  H     15.91745850      9.30490026    -14.32350980
  O     14.13321062      5.58158626    -12.15698299
  H     17.13660032     10.99865343    -18.46916740
  H     15.20835358      7.91679805    -14.14731644
  O     15.03106925      9.79026462    -11.44014738
  H     16.14379200      9.93382314    -17.93360895
  H     10.55834837      8.89239693    -10.31845118
  O     14.86526436      8.82889732    -18.11884301
  H     12.10369408      8.72770275    -13.84731143
  H     11.61588316      9.12819725    -11.41870742
  O     16.80336814      4.85907217    -11.63200793
  H     11.50173909      7.30578863    -13.88639830
  H     17.17921284      7.58486932    -13.08830727
  O     16.07281701     10.99933389    -15.07674974
  H     16.45880934      5.74676483     -9.89236554
  H     18.70300268      7.48094477    -13.23304066
  O     15.90641185      6.45674951    -16.86781514
  H     15.41799349      6.74742899     -9.36547445
  H     12.15735695      5.74667735    -12.34343037
  O     18.13546974      8.23547263    -16.47564029
  H     14.98869755      5.16409881    -11.99776517
  H     11.18961856      6.82168788    -11.80782930
  O     13.44687533     11.70996190    -14.78352672
  H     14.05566083      6.27969670    -11.49050725
  H     18.78679664     10.22726351    -13.63395624
  O     15.81173213      8.54665136    -13.73518694
  H     15.33000962      9.33131554    -12.24137548
  H     18.05926203     10.96367376    -12.47753064
  O     11.28788366      8.47978178    -10.77448133
  H     15.79666589     10.26238765    -11.09450050
  H     19.16001898      8.48066436    -15.10854453
  O     17.95199975      7.09887103    -12.76293079
  H     14.05213662      9.07373907    -17.65144113
  H     20.60187709      8.64250544    -14.56750444
  O     11.29170909      6.14688233    -12.49086479
  H     15.13230622      7.96481887    -17.78643914
  H     18.16927738      7.86256336    -11.04965261
  O     18.23160595     10.98841752    -13.42671482
  H     17.27447170      5.59393947    -12.05965239
  H     17.52812049      7.67396998     -9.66794067
  O     19.68631449      8.63582177    -14.30224916
  H     17.37882367      4.09974751    -11.67883814
  H     12.24523265      8.99350694    -16.00760087
  O     18.10653185      8.26193928    -10.17341569
  H     16.84772909     11.12026446    -14.50526018
  H     12.88521599     10.38565733    -16.08202640
  O     12.69111672      9.60262053    -16.60974075
  H     16.38275445     10.90517345    -15.98630160
  H     14.38689423      8.36092201    -10.53756602
  O     13.92054073      7.57952285    -10.20517764
  H     15.28321255      6.40909912    -16.12395487
  H     12.98635367      7.81597800    -10.19008933
          69
 Energy    -249.17733841115779     
  O     15.74287068      4.28900220     -9.49445863
  H     16.18705229      3.57273757     -9.04663191
  H     16.70688469      9.79526604    -12.32251006
  O     14.93575043      8.46831799    -16.15714787
  H     16.35776279      4.61696022    -10.16985742
  H     13.74958566      7.78758299    -11.23978801
  O     17.48771372      9.42709321    -13.89893870
  H     15.60112146      7.82529855    -15.88172442
  H     14.94615522      8.63070633    -11.80294711
  O     14.16684069     11.66956393    -11.50804958
  H     15.41311574      9.30028414    -16.26147779
  H     13.91268830      4.35344989    -10.08564712
  O     11.26772547      6.76019854    -13.35357136
  H     17.24041006      8.54262966    -14.20403618
  H     12.86604324      4.38885987    -11.23264598
  O     19.19751392      5.78907527    -13.53158781
  H     17.22609842     10.03805478    -14.59879107
  H     19.98350572      8.51996377    -11.95722978
  O     12.56579876      4.38633450    -13.12415491
  H     14.92750728     11.07109231    -11.41990628
  H     19.17255724      8.85447576    -13.23779979
  O     17.28813112      7.80454213     -9.95652495
  H     14.30837082     12.38263168    -10.89019295
  H     14.75113685      6.49125408    -12.75149840
  O     11.67961134     10.36501270    -12.17556620
  H     11.72460123      7.45320649    -13.84461199
  H     14.26441753      5.10356497    -13.24303012
  O     14.20447354     11.51733721    -14.35645259
  H     10.90456480      7.18426658    -12.56645760
  H     15.58823897     11.29419065    -15.37909876
  O     12.96188353      8.90846861    -14.28462675
  H     19.94445203      5.29351125    -13.85493651
  H     16.52750238     11.68377421    -16.54777451
  O     16.23728613      9.86176422    -11.47784437
  H     19.52769421      6.67685549    -13.29791693
  H     16.18850189      6.37301175    -14.34541865
  O     14.25640157      7.99837948    -12.03597719
  H     12.05574030      5.21062075    -13.22373771
  H     17.71125955      6.42784317    -14.57679762
  O     12.99887124      4.58141646    -10.29676725
  H     12.10695184      3.71751753    -13.62487208
  H     20.19906351      9.17181196     -9.35206622
  O     19.88546969      8.30116641    -12.89462514
  H     17.33571205      7.03389081    -10.53702895
  H     18.98675127      8.44141950     -9.95217725
  O     15.04583387      5.66048891    -13.15841686
  H     16.59752548      7.61030989     -9.30570499
  H     10.82588149      9.07502727    -11.37689431
  O     16.34041818     10.99164968    -15.92004968
  H     11.94403773      9.98602632    -13.02318324
  H      9.55106379      8.45773086    -10.75162853
  O     16.87940030      6.83989573    -14.83867684
  H     12.45848100     10.82843489    -11.84470382
  H     16.45685003      5.45087499    -12.08609675
  O     19.87468882      8.77495633    -10.15611341
  H     13.71050102     10.69081449    -14.42293692
  H     18.00186705      5.45974269    -12.12311485
  O     10.43958747      8.25125056    -11.02874046
  H     14.20441293     11.74105135    -13.41852599
  H     15.33557156      6.00150130     -8.60709203
  O     17.24647180      5.43698019    -11.52344665
  H     13.41114100      8.60552791    -13.47828971
  H     14.33708300      7.16212897     -8.75392956
  O     15.21319934      6.93871212     -8.41252682
  H     13.54533913      8.68837541    -15.02641942
  H     11.91399534      7.59393584    -10.07834792
  O     12.78102313      7.26014379     -9.82137894
  H     16.66199089      9.24554230    -10.86545117
  H     12.76697889      6.29649818     -9.94530096
          69
 Energy    -249.17652512530103     
  O     20.48791677     11.40729025    -18.62135972
  H     20.03712115     12.19578539    -18.97657335
  H     20.00594613     15.43745252    -16.99007432
  O     17.86458964     18.53611728    -13.88947276
  H     20.75796117     10.88238905    -19.36966623
  H     14.47110688     12.02578842    -14.09994550
  O     15.75918663     14.80026750    -13.77572439
  H     17.44276483     18.60199707    -14.75808137
  H     14.46643411     13.55206404    -14.27660429
  O     16.70511948     13.34673154    -17.84139764
  H     18.80548834     18.38709779    -14.04471398
  H     22.65314779     14.14018007    -15.34617323
  O     15.71270518     10.68207502    -13.45406534
  H     15.94900018     15.55059674    -13.19907610
  H     22.36818019     14.99568381    -14.07809951
  O     14.24979449     12.12639979    -17.22319062
  H     16.38402928     14.10306812    -13.52842746
  H     16.97473170     11.99963665    -13.07480781
  O     21.73605883     13.01208680    -16.61096651
  H     15.81497931     12.97496988    -17.78337493
  H     18.27479773     12.68523638    -13.60522056
  O     22.46786981     17.15740754    -16.36410566
  H     17.28906790     12.67290497    -17.46584956
  H     16.83741718     10.39214341    -16.36446425
  O     16.70098999     16.87087874    -12.13571046
  H     15.82156614     10.38958439    -14.37682938
  H     15.33122130     10.64263154    -16.57385696
  O     19.55139691     12.91781877    -14.86829892
  H     15.47067128      9.91156999    -12.94739939
  H     16.38264793     18.81047058    -17.20535064
  O     19.16132385     13.66762434    -19.33553531
  H     13.38591211     12.05715247    -17.62034224
  H     16.43144174     17.46506072    -16.46352574
  O     20.67356098     15.39337834    -17.69247368
  H     14.11176331     12.39752055    -16.29760818
  H     21.84437377     15.72756549    -11.76618492
  O     14.03917049     12.74112482    -14.58264461
  H     21.51378092     12.32349426    -17.24802057
  H     20.44852172     15.33794758    -12.29324877
  O     22.91842403     14.93627013    -14.86949496
  H     21.43431902     13.83792724    -17.01953316
  H     20.81214673     17.00549113    -13.68954703
  O     17.53335483     12.78200869    -12.99010221
  H     22.72873856     16.37988180    -15.83648090
  H     21.12579027     17.61459516    -15.08051787
  O     15.95873178     10.09556906    -16.08670952
  H     23.26934874     17.62447426    -16.58370403
  H     18.13630125     15.66345645    -11.83167965
  O     16.63358148     18.41013857    -16.37707425
  H     17.10423616     17.50784637    -12.75360959
  H     18.40131189     14.16103542    -12.04834796
  O     21.34015067     15.61561627    -12.56861107
  H     16.27266446     17.38205656    -11.45468984
  H     19.06105930     11.18048753    -17.42595335
  O     20.46168157     17.58413565    -14.38104366
  H     19.29506312     13.84100860    -15.02336887
  H     18.73203749     11.82732116    -16.05703880
  O     18.82627938     14.98992121    -11.79473881
  H     20.39992498     12.81281564    -15.31583671
  H     19.33084266     16.27419671    -15.08945046
  O     18.35182645     11.31880002    -16.78684501
  H     19.65590699     14.37744274    -18.90323238
  H     18.05350400     15.67662550    -15.78183216
  O     18.97144955     15.50164377    -15.54126067
  H     18.26217218     13.69935611    -18.98730875
  H     16.02267093     15.35492686    -15.47057910
  O     16.32555352     15.66396774    -16.33719423
  H     21.31594810     16.07887641    -17.47758927
  H     16.42398847     14.89204821    -16.91052728
          69
 Energy    -249.17603105128029     
  O     14.44756518      9.64815650    -10.62650687
  H     15.01579360      9.02081854    -11.10113920
  H     13.30264531      8.22601579    -10.15976549
  O     13.00064876     10.51378028    -16.34195449
  H     14.14106415     10.28435298    -11.28425158
  H     19.42561278      7.03667620    -15.03378483
  O     16.53140377     10.98678244    -13.56471053
  H     12.76596947      9.87126135    -15.65969834
  H     18.15610365      7.90623861    -14.91583971
  O     13.55214813      5.21096133    -13.53164288
  H     12.93720816     11.38016086    -15.92133716
  H     12.96426874     13.88700701    -15.01438511
  O     17.17736672      7.11272454     -8.33728262
  H     15.60512220     10.98455459    -13.28515395
  H     14.21978017     13.00648045    -15.23065069
  O     15.87738907     12.67607978    -15.73198283
  H     17.07431493     11.07465444    -12.77256008
  H     13.54932820      8.33182670    -14.25790360
  O     16.08247031      7.73808190    -11.84481328
  H     14.09788422      5.86304912    -13.99220458
  H     12.17108137      8.23438602    -13.57366568
  O     13.80351082     11.08086925    -12.91377048
  H     14.16462871      4.68884263    -12.99942821
  H     15.37656656     10.39242204    -18.44055523
  O     18.85936213      8.40673526    -11.85418564
  H     17.84643820      6.74817313     -8.94652739
  H     14.55675090     10.40166302    -17.12900218
  O     18.14303431     11.05616152    -11.25793835
  H     17.47335343      6.91528362     -7.45252871
  H     10.72607583      6.34049048    -12.58061763
  O     18.11544301      4.94290754    -12.56951948
  H     16.25651810     12.21445573    -14.97132146
  H     12.23283590      6.14554339    -12.87439991
  O     12.93342627      7.33766623    -10.06336640
  H     15.84695875     12.02238425    -16.44129979
  H     15.80189547      6.24407549     -9.25290415
  O     18.74310595      7.30951495    -14.42451193
  H     17.02726167      7.91490359    -11.76573914
  H     14.36199720      6.32090402     -9.87910850
  O     13.29669453     12.99882270    -14.91990553
  H     15.85990668      7.03362362    -11.22243222
  H     15.50804456      3.09120925    -11.51691521
  O     12.72705489      8.82038216    -14.09967893
  H     13.37504974     10.29823427    -13.29265399
  H     15.38355770      4.57618916    -11.10462762
  O     15.46084555     10.42635957    -17.49154783
  H     13.54308069     11.82947501    -13.46297527
  H     19.08633147      7.04452575    -10.65544676
  O     11.57355722      6.77457567    -12.52826078
  H     18.76683462      9.36351113    -11.78570826
  H     18.67703135      5.59952942    -10.90235008
  O     15.22063210      5.87025863     -9.92625046
  H     18.94440629      8.15377907    -12.78297916
  H     15.42253569      7.48977917    -13.46066924
  O     15.48459379      3.97898421    -11.86627557
  H     17.69726195     10.66339228    -10.48502533
  H     15.68135295      7.89537459    -14.92736585
  O     18.90558759      6.21412615    -10.19201052
  H     18.66431185     11.78545995    -10.93332563
  H     15.91710448      9.88547719     -9.52866274
  O     15.07352162      7.40630072    -14.36258511
  H     18.12483258      5.63580226    -13.23639783
  H     16.97335706      8.97390868     -8.86767495
  O     16.83014306      9.86445704     -9.20762617
  H     17.20529527      4.63015308    -12.50090670
  H     16.53621439      9.48247760    -16.31540437
  O     16.96063258      9.09417689    -15.54052872
  H     12.40470331      7.17657472    -10.85401886
  H     16.85995998      9.73675674    -14.82083881
          69
 Energy    -249.17589877771121     
  O     11.31763135      8.66268669     -9.04358692
  H     11.73935428      9.05565917     -8.26944028
  H     10.63799958     10.56408364    -11.65531429
  O     13.43303107      9.14233796    -17.07994566
  H     11.03568340      9.40677642     -9.59240525
  H     12.37230217     12.65357738    -13.71732421
  O     12.38238573      6.84276983    -10.71556265
  H     12.81100794      8.48039928    -16.72655844
  H     12.94579900     11.34745532    -14.36554934
  O     14.14320908      9.89132226    -14.46174923
  H     13.85633494      8.74821817    -17.83765277
  H     16.34869052      8.79494020    -10.91087097
  O     12.66908872     12.59886193     -7.90574526
  H     11.96191214      7.45179771    -10.08001068
  H     17.82255554      8.60900016    -11.34073083
  O     11.27406566     11.03846755    -16.84326773
  H     12.08115760      5.96498132    -10.49860965
  H     13.65978132     13.91902100    -12.18338351
  O     12.35997846      8.14594975    -13.22286987
  H     13.62688696      9.23366074    -13.97273487
  H     12.22757279     13.79340392    -11.60647387
  O     15.20616336      9.10981902     -7.61205515
  H     14.05288487      9.67526694    -15.39821155
  H     14.33203385      9.15304043    -10.40475971
  O     13.75663709     10.82944555    -10.79339179
  H     12.06686125     12.98351218     -8.55199529
  H     14.05426834      7.63421342    -10.44845638
  O     12.59049266     10.06718461     -6.93812883
  H     13.55964591     12.78740727     -8.23678983
  H     10.95551731     10.82284830    -13.71096279
  O     15.54879726     13.80428924    -11.85369743
  H     11.55036577     11.54822686    -16.06853216
  H      9.86620359      9.80856223    -14.14123208
  O     10.98576545     10.82123175    -10.79135665
  H     12.03707631     10.49878911    -17.08345666
  H     15.80256034     12.21228253     -9.03287783
  O     12.18775673     11.94543028    -14.35164691
  H     11.62772609      8.77844442    -13.18784482
  H     15.28624488     13.28417361    -10.04376603
  O     17.14023815      9.26538891    -11.22482236
  H     12.36140923      7.65609778    -12.39282597
  H     15.33612228     10.74514001    -13.44406355
  O     12.73369713     13.80677890    -12.42694013
  H     15.04256371      8.65525310     -8.44775278
  H     16.36678979     10.57520918    -12.28196804
  O     14.75134296      8.28368136    -10.30651233
  H     14.34409856      9.42498105     -7.31457089
  H      8.56799946      9.35371409    -16.38199935
  O     10.37846537     10.11374773    -13.38376514
  H     14.32469510     10.96698183    -11.56085789
  H      9.98830562      9.96666154    -16.31142767
  O     15.05650282     12.79520870     -9.24592656
  H     14.07430187     11.45222864    -10.12544422
  H     17.19740394     10.41213252     -9.58416586
  O     15.79748602     11.21304333    -12.73301575
  H     12.32263484     10.10322149     -6.02325303
  H     16.43775859     10.29536049     -8.24921171
  O      9.39077112      9.31399010    -15.90247773
  H     12.59335869     10.98574770     -7.26122312
  H     10.89342207     12.53036364    -10.33121215
  O     16.96236994     10.90494352     -8.79205687
  H     15.72019840     12.92564553    -12.23353817
  H     10.18226626     13.87803374    -10.06556913
  O     11.04130051     13.46398963    -10.10093498
  H     16.20366997     14.39491069    -12.21740513
  H     10.77480422      7.96833637    -15.91752402
  O     11.62344101      7.50977758    -15.87419224
  H     11.95528430     10.80382178    -10.84516072
  H     11.88903821      7.53628895    -14.94482545
          69
 Energy    -249.17546442312658     
  O     13.54643691     11.32869996     -8.60352153
  H     13.54681326     11.08285656     -7.68206979
  H     15.23552667     13.55167811    -16.46298821
  O     11.35964894     11.28233074    -15.39495445
  H     13.82177627     10.53763230     -9.10328594
  H     13.28609710     14.56680213    -11.48157947
  O     14.15768083      9.18033335    -10.11644485
  H     11.74338289     11.61417336    -16.21519128
  H     13.38316127     13.26610529    -12.31170066
  O     18.26823507     13.28778477    -13.40278356
  H     11.17855338     12.05546528    -14.84140026
  H     11.50861291     14.44404931    -15.20161385
  O     11.49353807     11.91113528    -10.42215280
  H     14.96430283      9.04427450    -10.62719307
  H     12.15752989     14.07576173    -16.55282395
  O     11.93826629      9.45495126    -11.81337330
  H     13.41552293      9.05893552    -10.72347883
  H     15.31836872     12.06478962    -12.65733261
  O     13.41956974      9.93174475    -14.11863689
  H     17.92283682     12.74407658    -14.13528448
  H     14.18095269     11.44526558    -13.52354587
  O     14.71275943     15.55162236    -10.80505172
  H     19.20671432     13.37541240    -13.54528729
  H     16.66238276     11.99957136    -16.05812668
  O      9.77916390      9.77446238    -13.51217751
  H     12.07286611     11.71739061     -9.67497669
  H     16.91108029     10.86228076    -15.04245285
  O     14.71636097     14.35249584    -14.99861286
  H     11.91661503     12.64178063    -10.89810827
  H     13.62276643     12.55855096    -17.52887530
  O     10.74974117     13.49446846    -13.75170344
  H     11.81760019     10.28964201    -11.34159811
  H     12.48046060     12.31026250    -18.53556932
  O     15.39912089     12.99593726    -17.24645733
  H     11.15486214      9.35791146    -12.37403299
  H     17.38442317      8.64594525    -11.20793740
  O     12.75509250     13.87015720    -11.88309255
  H     12.98857876      9.65730409    -13.29760013
  H     16.73591661     10.00911295    -11.55005779
  O     12.13609717     14.75436185    -15.86791144
  H     12.72705542     10.32563283    -14.66564392
  H     16.34949918      9.11925441    -13.48780260
  O     14.52720222     12.27367657    -13.16789225
  H     15.33036534     15.51835077    -11.55833161
  H     15.18218784      9.43978624    -14.42887776
  O     17.24771717     11.71834748    -15.35004857
  H     14.76105398     16.43528623    -10.45091221
  H     16.46794060     12.25343292    -10.83260867
  O     12.66035794     12.47451352    -17.61251531
  H     10.19589961     10.16719086    -14.28982540
  H     17.41053412     12.30375877    -12.09716840
  O     16.59937806      9.04494517    -11.57528650
  H      9.39975997     10.51169747    -13.01798790
  H      9.88582793     11.99528752    -11.26192369
  O     16.14627230      9.37269267    -14.39546181
  H     13.81338054     14.61583584    -15.22890750
  H      8.36468362     12.24949105    -11.34994852
  O     16.80823485     11.74847251    -11.58785651
  H     14.66526974     13.60416677    -14.38413865
  H     17.07569478     14.73874816    -13.05631242
  O      9.14007207     12.07969917    -11.87924288
  H     10.04240503     13.11825023    -13.21538198
  H     15.78196941     15.19578661    -13.74092499
  O     16.33908419     15.35471700    -12.96625996
  H     11.44856539     13.74219309    -13.12785818
  H     14.85065395     12.60258438     -9.22191315
  O     15.58727953     13.10834243     -9.58574545
  H     15.93696316     13.51430132    -17.84112121
  H     15.23797568     13.95683733     -9.88338174
          69
 Energy    -249.17530004485019     
  O     14.46066600      5.32869433     -9.47045362
  H     15.13498384      5.00883837    -10.08110284
  H     15.84385828      8.89177057    -12.42484426
  O     14.74510035      8.32103502    -16.71842406
  H     13.60932014      5.26089216     -9.92890407
  H     14.50763643      6.96768853    -12.88341630
  O     17.91968522      9.05156402    -14.45035028
  H     15.23448875      9.14980577    -16.65863797
  H     13.95892194      8.04885182    -11.87699747
  O     14.52278095     11.35919770    -11.50251189
  H     13.95708751      8.45704221    -16.17399642
  H     12.07842054      5.05056445    -11.79806372
  O     10.78259396      7.30124284    -13.77352948
  H     18.79769215      8.68671764    -14.28510280
  H     11.59192834      6.15237160    -10.83972314
  O     18.98161889      4.07283703    -12.34078751
  H     17.53002327      9.27239926    -13.59111838
  H     21.22694859      7.92389896    -13.93463335
  O     12.21944107      4.79985302    -13.67207002
  H     14.35261244     11.35245210    -12.46331189
  H     20.16195947      7.40137541    -12.94052518
  O     17.31578750      7.52732025    -10.33243640
  H     14.45758521     12.26740405    -11.22067725
  H     15.47154571      5.09953851    -12.81449871
  O     18.89396170      5.36009486    -14.72599792
  H     10.72970210      7.53984712    -12.84016713
  H     15.46789838      5.73930456    -14.24068608
  O     14.16187389     11.23673313    -14.17584714
  H     11.20371966      6.43269233    -13.80000303
  H     16.95253573     10.12958807    -15.51465795
  O     12.81467806      8.88009826    -14.75551854
  H     19.41940247      3.22988034    -12.41850789
  H     16.81350356     11.21226106    -16.60677703
  O     16.54838057      9.49132535    -12.12344386
  H     18.93603064      4.45283431    -13.23705378
  H     15.86236687      7.13745464    -15.94057621
  O     14.42912488      7.91270590    -12.70811494
  H     13.18211238      4.92717463    -13.71138831
  H     16.99949780      7.48703425    -14.97317984
  O     12.10515117      5.33681872    -10.87729031
  H     12.02576484      4.02252140    -14.19015071
  H     19.60740910      5.73325813    -11.58826647
  O     20.29881856      7.72332337    -13.84989016
  H     17.14169731      8.25952191    -10.94091703
  H     19.02913611      6.99276083    -10.90614518
  O     14.90933078      5.31827308    -13.57111227
  H     16.67379380      7.62130616     -9.61890766
  H     10.18333847      8.29707377    -10.42442820
  O     16.31025897     10.66654962    -16.00722607
  H     18.05677725      5.69305112    -15.07488546
  H     11.70093255      8.38669747    -10.69784653
  O     16.50911681      6.73953801    -15.33886714
  H     19.44876998      6.13660122    -14.58264588
  H     17.34898689      4.56077842    -11.63874631
  O     19.78680229      6.66458010    -11.40747625
  H     14.90043924     11.16076918    -14.79108951
  H     16.80680003      5.88840476    -11.05209801
  O     10.88673951      7.92025022    -10.94760790
  H     13.54031911     10.54047486    -14.43259900
  H     15.11290007      7.76829171     -7.61071219
  O     16.54041697      5.01380099    -11.36908290
  H     13.43388030      8.56560535    -14.07998910
  H     14.83067082      6.84787187     -8.82571522
  O     15.09452188      7.75152560     -8.56362208
  H     11.98517847      8.42344005    -14.56411452
  H     13.71190641      9.86147199    -10.68506496
  O     13.34432513      9.02749764    -10.36362007
  H     16.08669999     10.28227463    -11.82585509
  H     13.94103555      8.67256534     -9.69117956
          69
 Energy    -249.17497154406720     
  O     12.35553746     11.42011258    -14.70782447
  H     12.96686781     10.97475596    -15.31103412
  H     20.66486868      7.71510589    -13.22390161
  O     16.07246780      6.64783986    -13.16030400
  H     12.85964263     12.13779148    -14.30822774
  H     15.36172144     11.72091388    -16.06035461
  O     17.22191754     10.18958230    -10.71260772
  H     16.13521048      6.46547028    -14.10958274
  H     16.73265039     12.24808390    -15.56277868
  O     18.51214643     11.72938073    -15.23531587
  H     15.17360249      6.48666798    -12.84454426
  H     15.79169243      8.40974059    -13.63316357
  O     13.78849974      7.44660060    -16.83214035
  H     16.43009164     10.57514850    -11.11120061
  H     16.71534023      9.31311687    -14.45640532
  O     13.50387519      8.54232762     -8.68026590
  H     16.96912906      9.89286360     -9.82588180
  H     11.48855255     10.24351474    -13.81806893
  O     13.56635489      6.59823476    -12.03543350
  H     18.69057749     11.53920250    -14.29663781
  H     10.13283478      9.66566846    -13.34074052
  O     14.96070064     11.04469957    -12.08414655
  H     19.20626695     12.31240380    -15.53271514
  H     17.55825837      6.71237451     -9.92914611
  O     16.38099185      6.65391519    -15.88086751
  H     13.27333466      7.34617844    -16.01082534
  H     17.89564447      5.77600200     -8.74748185
  O     14.39641335      5.93361312     -9.50257915
  H     13.31846800      6.96831182    -17.50991180
  H     12.74843373      6.83925486    -13.71219116
  O     18.18815499      8.93132967    -15.49308276
  H     12.78855526      8.79784504     -8.10306692
  H     11.87807549      8.01249951    -14.18409095
  O     19.86740641      8.23145089    -13.30673578
  H     13.26061097      8.83776805     -9.57328501
  H     19.51045098     10.07995552    -12.85579518
  O     15.80884512     12.49461797    -15.69221771
  H     13.80418415      6.18011126    -11.19489368
  H     18.49524560     10.80363236    -11.95211956
  O     15.88884628      9.31400419    -13.95667782
  H     13.39150646      7.52461652    -11.81990493
  H     17.28160881      7.20321484    -12.05458783
  O     11.07462299      9.52193671    -13.30964290
  H     14.71919762     11.88291319    -12.49465770
  H     17.66210318      8.49188070    -11.23668894
  O     17.21785775      6.35037695     -9.09481293
  H     15.30664100     10.47431823    -12.79056266
  H     16.65219382      8.09194791     -8.46511843
  O     12.40160806      7.26874027    -14.50467677
  H     15.55300910      6.92531801    -16.29680586
  H     15.35623995      8.91639501     -8.42433556
  O     19.08631367     10.93338530    -12.70535191
  H     16.99178801      7.39645071    -15.96345186
  H     12.25147160      9.38408632    -11.89642213
  O     17.94382522      7.59208048    -11.45960406
  H     14.05173120      6.73885559     -9.09575123
  H     13.65973264      9.93080671    -11.52432716
  O     16.31825247      8.99549961     -8.40799112
  H     15.34947110      5.95810390     -9.35503375
  H     14.84250819     13.08338477    -14.37736151
  O     12.99091307      9.27307597    -11.28535068
  H     18.81983508      8.61868420    -14.83082021
  H     14.22556111     14.22945613    -13.53861944
  O     14.25047785     13.28105546    -13.62832364
  H     18.37134665      9.87104225    -15.62162904
  H     14.84510714      9.82508389    -15.34287166
  O     14.37238570     10.10365275    -16.14206016
  H     19.25324961      7.91208400    -12.62413963
  H     14.13807317      9.28319228    -16.59036805
          69
 Energy    -249.17496830843180     
  O     10.50571391      5.33713412    -12.62833801
  H     10.98942904      4.87843231    -13.32503277
  H     16.40476778      7.18348367     -9.38572616
  O     14.11875884      4.75680943     -8.30301795
  H     10.64963531      6.27849439    -12.78100293
  H     16.22756542      5.69036327    -14.01054021
  O     16.55415115      8.93939582    -13.44409329
  H     13.39881028      5.39430815     -8.22847355
  H     16.15664586      7.27346415    -13.99309587
  O     16.82056631      4.00318201    -13.28872548
  H     14.90176328      5.26456572     -8.55767401
  H     14.15083868      5.18149575    -11.89847301
  O     16.90794857      8.99051386     -9.55397275
  H     15.98650183      9.16538648    -12.69412090
  H     14.89015644      6.35677479    -12.54388651
  O     11.41526669     10.51883512    -14.17632767
  H     16.31579582      9.54230246    -14.16001597
  H     11.77094270      3.81391528    -10.15194758
  O     11.83901258      6.51748455     -8.46915127
  H     17.29760024      4.44401480    -12.56069689
  H     10.83381976      4.74719302    -10.97115100
  O     13.07894912      6.75614827    -15.00634101
  H     17.45335403      3.44261673    -13.72949515
  H     15.84650950     11.13942640    -16.13757512
  O     14.11081908      3.43880986    -12.63014558
  H     17.08055096      9.65387401     -8.89059261
  H     14.71987341     10.16345848    -15.71968347
  O     13.91794570     11.46339377    -13.13418217
  H     16.20269240      9.34251136    -10.12315452
  H     12.44658174      7.61549353     -9.84477375
  O     18.04797278      5.35748383    -11.33853267
  H     11.32886800      9.64996765    -13.74762914
  H     13.36530457      7.25098116    -11.03380271
  O     16.12178701      6.26594191     -9.48174776
  H     10.53761102     10.88790070    -14.22895119
  H     18.06314737      8.40959849    -12.43205006
  O     15.67857332      6.45842688    -14.20480122
  H     11.19844970      6.66434354     -7.77870696
  H     18.21002045      8.40566389    -10.91109614
  O     14.44859096      6.08242248    -11.73047033
  H     11.49049677      5.79699823     -9.02801841
  H     14.55063968     10.42743030    -11.83289549
  O     11.09426627      4.49283551    -10.07291761
  H     12.72504157      5.85908166    -15.00066277
  H     14.14454382      9.17692250    -10.99917225
  O     15.50556019     10.64216554    -15.39928981
  H     14.02322852      6.66974464    -14.80636161
  H     12.52828817      9.81579472    -15.56814972
  O     12.82289347      7.96531176    -10.66088803
  H     15.05993933      3.51120628    -12.79977997
  H     13.13450111      8.42940141    -15.86451586
  O     18.60616071      8.05309802    -11.71705892
  H     13.96785184      3.07857597    -11.74341300
  H     13.74854083      3.44791467     -9.38015434
  O     14.89830456      9.71538644    -11.27523890
  H     14.48975890     11.35145580    -13.90338485
  H     13.41637288      1.94769329     -9.54003653
  O     13.21249174      9.36764904    -16.08132455
  H     13.02848597     11.24129227    -13.43665242
  H     12.07607271      7.59122187    -13.70005076
  O     13.47095108      2.76900480    -10.02179026
  H     18.38786886      6.23891039    -11.55054797
  H     11.88554431      8.05005700    -12.21273221
  O     11.46248972      8.01660573    -13.08264900
  H     17.49241562      5.49045412    -10.56105879
  H     12.90807136      3.80571689    -13.88746702
  O     12.24572227      4.09517061    -14.53776149
  H     15.56269096      6.22996752    -10.27251005
  H     12.04269974      3.33805377    -15.08129838
          69
 Energy    -249.17461916984342     
  O     17.06687051      7.47142007    -13.43270135
  H     17.83609866      7.70205492    -12.89657240
  H     14.08170527      8.62947735    -15.91569727
  O     13.01563621     12.60339770    -11.04692330
  H     17.34341647      7.34436760    -14.35111505
  H     12.46698347     10.19355219    -14.96538466
  O     17.70763799      7.39481163    -16.07422069
  H     12.57532267     13.16007714    -10.41103568
  H     11.34459225     11.15022086    -15.42765563
  O     11.43668762     10.62224277    -11.96937142
  H     12.37659914     11.91697404    -11.31508718
  H     17.19393875      8.87486748     -8.98165265
  O     15.49099200      6.16191047    -11.63493063
  H     16.91327475      7.72423596    -16.51190842
  H     17.23978577      7.33551090     -8.96649512
  O     18.98933557      8.13490612    -11.54073065
  H     18.37210962      8.08977472    -16.17158373
  H     15.06038985     10.32096498    -11.84937321
  O     19.90371737      9.96206297    -13.49109347
  H     11.55535707      9.69707037    -11.72525773
  H     14.36279100     11.35678534    -10.90718488
  O     17.65625573     10.28234120    -10.36580425
  H     11.53171598     10.68087064    -12.92895615
  H     18.09376046      5.03079626     -9.93829643
  O     11.90394569      7.92087710    -11.11574788
  H     15.08829878      6.85735526    -11.09618411
  H     17.01091009      5.86829579    -10.65348156
  O     15.41697024      8.74955670    -17.18650366
  H     16.01396610      6.59528467    -12.32975947
  H     16.16014105     11.19376284    -13.88809776
  O     13.20589538      6.73940122    -13.37497188
  H     18.79313366      7.33477975    -11.03918398
  H     15.58488041     12.60951404    -14.01569331
  O     13.44761997      8.76648998    -15.20009753
  H     18.52859923      8.86144358    -11.09303259
  H     14.69065510      9.40091466    -14.01410251
  O     11.97958763     11.00170907    -14.73122653
  H     19.77847123      9.26661530    -12.83359216
  H     16.04054567      8.90450908    -13.43380446
  O     16.78304386      8.09653992     -8.58708460
  H     19.52014506     10.76127047    -13.10942662
  H     19.65746593      9.74016173    -15.19051911
  O     14.96836228     10.60764971    -10.92716198
  H     18.05960385     10.98285825    -10.89283503
  H     20.30362746      9.72317552    -16.59425822
  O     17.84091966      5.92537327    -10.15200020
  H     16.70243570     10.41175150    -10.47468770
  H     17.86149516     10.54619416    -16.46430991
  O     16.41332538     12.11232478    -14.07103276
  H     11.26385669      7.46342768    -10.57507289
  H     16.79668259     11.45302695    -15.80880669
  O     15.42231697      9.64790160    -13.43716746
  H     12.72779143      7.95549339    -10.60051734
  H     14.48362223      9.03725215    -10.27062546
  O     19.47087249      9.62869410    -16.13967996
  H     15.28201399      8.73567385    -18.13080155
  H     15.08356329      8.02363799     -9.28864347
  O     16.96456744     10.88870772    -16.57323730
  H     15.92003546      9.56076672    -16.98773151
  H     18.87177397     13.06165705    -12.22709405
  O     14.36288168      8.14056700     -9.92260866
  H     13.94806886      6.33231097    -12.91538579
  H     17.78594161     12.23028251    -12.94642448
  O     18.53433392     12.17500456    -12.32776797
  H     12.64702529      7.10380881    -12.67662131
  H     13.58320406     13.03759141    -12.83221277
  O     13.83238813     13.02341789    -13.76447323
  H     13.35694622      7.95437491    -14.67784618
  H     13.22006130     12.40487203    -14.18072107
          69
 Energy    -249.17419188139519     
  O     14.04424259      9.47529514    -16.96342245
  H     13.43084032      9.46554611    -16.21803484
  H     13.89604207      3.68966151    -13.10542786
  O     15.10406200      7.00183577    -12.48737392
  H     14.84236795      9.90954862    -16.63609685
  H     18.78580581      7.99298916    -17.29771217
  O     18.39859894      9.80939689    -12.58795075
  H     15.44543122      7.28924837    -13.35009179
  H     19.50584714      6.80331064    -16.63601063
  O     20.62520619      6.62204833    -15.09650842
  H     14.71572001      6.13164818    -12.63569075
  H     17.00410984      7.06025574    -14.73243726
  O     12.61569814      6.43895997    -14.96189661
  H     17.59241565     10.25044525    -12.88340988
  H     15.67709488      7.24268996    -15.55201679
  O     16.25718280     12.62384187    -10.69377818
  H     18.64079116     10.23499624    -11.75200485
  H     17.16561007      8.17546452     -8.37048915
  O     13.95917605      9.50180543    -12.38631523
  H     21.54889507      6.39805443    -15.03257287
  H     17.29099659      8.14646912     -9.90777896
  O     16.44851046     10.26155026    -15.68362747
  H     20.54709819      7.57363591    -14.89448874
  H     11.39034917      9.33962574    -14.74150563
  O     16.28581726      4.28197670    -15.10235770
  H     13.19839039      6.45351955    -15.73669256
  H     12.36816822      8.14377089    -14.70378921
  O     14.85597405     10.45459769     -9.86964690
  H     12.97880454      5.75751424    -14.38671207
  H     19.76474971      9.57045955    -15.46373982
  O     18.22951371      5.87706868    -13.89015353
  H     15.70066641     11.91210906    -10.32699243
  H     19.60535027      9.47429214    -13.92441892
  O     14.14442743      4.54821882    -13.43675736
  H     15.93568941     13.44309099    -10.32779563
  H     17.93719389      8.17948430    -11.94108621
  O     18.83329771      7.02936470    -17.28939490
  H     14.29892527      8.59860407    -12.30689562
  H     16.73284659      7.19596357    -11.76337963
  O     16.25668454      7.64981062    -14.89348047
  H     13.32595493      9.48114123    -13.11479246
  H     17.87116293     11.66454613    -10.24032045
  O     17.02964175      8.70081412     -9.15551508
  H     16.29660132     10.80100214    -14.89713367
  H     18.09737457     10.27230063     -9.62632963
  O     12.31168705      9.11449960    -14.63674471
  H     16.40325951      9.33720980    -15.38707409
  H     17.51577061      5.95314901    -17.63231369
  O     20.17771864      9.22545689    -14.66312807
  H     16.38541646      4.52917317    -16.02802224
  H     16.97696363      4.83676474    -18.55479358
  O     17.65564281      7.35635120    -11.51143239
  H     17.02823591      4.69430926    -14.63777339
  H     16.13210403     11.85479007    -12.41710467
  O     18.54217600     10.98292472    -10.10485832
  H     15.49990923      9.79165252     -9.59079692
  H     15.28786781     10.65038040    -12.90547468
  O     16.76196825      5.35590691    -17.78446501
  H     14.41065334     10.10215113    -10.65168099
  H     17.91925911     10.10544624    -16.62189523
  O     16.02259886     11.23332149    -13.14665656
  H     19.10926577      6.05626017    -14.24648951
  H     18.91323290     10.55775076    -17.71669409
  O     18.76006737      9.88505329    -17.05827643
  H     18.18923809      6.25081231    -13.00166824
  H     14.40340749      7.69712998    -17.17504913
  O     14.51673964      6.76820195    -16.92078067
  H     14.87627596      4.40437039    -14.06344140
  H     15.22086258      6.35879926    -17.43624458
          69
 Ord_Energy   -249.174088    
 O  -0.290161520      -2.79387975       2.05847836    
 H  -0.980222940      -2.60190272       1.40667093    
 H   0.493335456      -3.05465317       1.55956602    
 O    2.67959952     -0.511517823       1.25748527    
 H    2.57283425      -1.43738627       1.00852060    
 H    2.16498804     -0.405214220       2.06581998    
 O   -3.01161098       1.62191427       2.04512286    
 H   -2.04985905       1.62731147       1.94592822    
 H   -3.18578410       1.39366162       2.96980596    
 O   0.689843714     -0.497828692       3.35727978    
 H   0.347705096      -1.28675830       2.91101336    
 H   0.248354524     -0.465483695       4.21432447    
 O    2.06706643      0.136359155      -3.34126973    
 H    2.82395530      0.246746197      -3.91001081    
 H    2.28791714      0.566656411      -2.49358249    
 O   -4.64706755      0.259064764      -1.71001279    
 H   -5.47175741      0.413348287      -2.16680431    
 H   -4.01458120      -4.10916582E-02  -2.38112116    
 O   -3.36105657      0.539011717       4.54817104    
 H   -3.82813907     -0.272222251       4.31457996    
 H   -2.54408479      0.253408849       4.97497749    
 O   -3.37035537       2.60764432     -0.577559292    
 H   -3.85774350       1.87793815     -0.976324737    
 H   -3.33473253       2.41778660      0.369611800    
 O  -0.910331726       2.59708953      -1.76809192    
 H   -1.78484309       2.72051287      -1.36717570    
 H  -0.259902120       3.01753068      -1.19430411    
 O  -0.625104785      0.921525300      -3.90714216    
 H  -0.726853848       1.66388845      -3.29238701    
 H   0.294398338      0.642636657      -3.83085775    
 O  -0.587327659       2.64095403E-02 -0.621169388    
 H   0.102534413     -0.516267955      -1.02086735    
 H  -0.700673461      0.817858756      -1.16190803    
 O   -2.88082957     -0.546238124      -3.73084044    
 H   -3.16322160     -0.732929766      -4.62325048    
 H   -2.06657243      -1.63587108E-02  -3.80758095    
 O    1.96743035      -3.15885401      0.403826892    
 H    1.65856218      -2.78671122     -0.441118717    
 H    2.52380276      -3.90331984      0.190427154    
 O   -1.97305548      -2.84805512       4.31961107    
 H   -2.84605527      -2.63094163       3.97017097    
 H   -1.39547384      -2.99080420       3.55740666    
 O    2.57318568       1.21325243     -0.927004158    
 H    2.15081406       2.01406121     -0.599865496    
 H    2.67268968      0.627967894     -0.161276773    
 O    1.02947021      -1.98472571      -1.85895431    
 H   0.185483307      -2.31140900      -2.20758867    
 H    1.42871094      -1.38620377      -2.50165606    
 O   -4.52187204      -1.87041521       3.41885209    
 H   -5.38441420      -2.24256921       3.58750796    
 H   -4.56444120      -1.46282303       2.53875184    
 O    1.00019073       3.37010479      0.174460217    
 H   0.585556507       2.78166127      0.829005063    
 H    1.24614310       4.16707897      0.636563897    
 O   -4.36836863     -0.556328237      0.995881796    
 H   -3.89194512      0.211238429       1.35077310    
 H   -4.58244181     -0.346859336       7.91731924E-02
 O  -0.984011412     -0.687488973       5.62614298    
 H   -1.33016682      -1.51430809       5.24204636    
 H  -0.811398804     -0.863032222       6.54730654    
 O   -1.52568245      -2.76371193      -2.48165989    
 H   -1.85221469      -2.73218465      -1.57159901    
 H   -2.01070285      -2.07424140      -2.94990730    
 O  -0.252070755       1.46433151       1.68637443    
 H    9.70319435E-02  0.883801818       2.37510014    
 H  -0.326546311      0.916228712      0.889252543    
 O   -2.16362643      -2.05502605      0.168941483    
 H   -2.99153233      -1.68912065      0.498858005    
 H   -1.64431405      -1.28955162     -0.127593055    
          69
 Ord_Energy   -249.174072    
 O   0.861617923       4.84138584       4.64088345    
 H   0.499476522       5.64910126       4.25873423    
 H    1.29548764       4.35865831       3.92748404    
 O   -2.45363998       8.85169888       2.24989438    
 H   -2.45356274       9.80368900       2.20343518    
 H   -2.29662514       8.52196884       1.34582841    
 O    2.09385777       3.12140775       2.66813278    
 H    1.92733216       3.35509634       1.73770046    
 H    3.03346801       2.98017025       2.75137186    
 O   -4.40843773       6.80420542       2.34141660    
 H   -4.30987883       6.45661974       1.44273007    
 H   -3.88911271       7.61564541       2.38209391    
 O  -0.132693142       1.43804502       2.78723168    
 H   0.700711489       1.92241132       2.85692835    
 H  -0.434050024       1.20893753       3.67522454    
 O   -3.66871142      0.505501628       3.76106143    
 H   -4.16174269       1.33635890       3.77917552    
 H   -2.89747357      0.624218404       4.32740307    
 O   -4.80135489       2.13620329      0.468122721    
 H   -4.54291725       1.22138774      0.635605335    
 H   -4.05695629       2.55067658       7.62725016E-03
 O   -2.08009934       7.63661861     -0.143854380    
 H   -2.85175085       7.10652971     -0.377733946    
 H   -1.38099229       7.00512171       7.71616101E-02
 O   -2.64465475       3.50495005     -0.588052452    
 H   -2.32249546       3.51262116      0.329382658    
 H   -1.92493021       3.12929940      -1.10656250    
 O  -0.327198803       2.19037223      -1.47116208    
 H   -2.75422800E-02   1.75460184      -2.26450992    
 H  -0.573787987       1.48876619     -0.840186834    
 O   -4.22663498       5.75864792     -0.271135420    
 H   -5.11239624       5.38078451     -0.322985888    
 H   -3.62147546       5.03000402     -0.474063039    
 O   -1.30676138      0.965952039       5.28576040    
 H   -1.06151152      0.497364134       6.07864285    
 H   -1.33899939       1.91326427       5.51510620    
 O   -3.12498903       4.92563248       3.88674784    
 H   -3.72730041       4.17101479       3.79495525    
 H   -3.56580782       5.65016603       3.41918015    
 O   -1.63927305       3.61435723       1.90646732    
 H   -1.15569282       2.85171986       2.24701023    
 H   -2.10921288       4.02994823       2.63813448    
 O   -6.65374136       5.04788017       2.68467331    
 H   -6.04030323       5.79378319       2.67413878    
 H   -6.80510855       4.82499743       1.75751257    
 O   -1.35579586       3.60739374       5.71523857    
 H   -2.05029297       4.11960506       5.28875542    
 H  -0.519409537       4.01610756       5.44336510    
 O  -0.885989070       6.86306572       3.53898335    
 H   -1.35453427       7.64926052       3.22889900    
 H   -1.57074070       6.23406124       3.79491115    
 O   -1.07411563      0.376695007      0.389619589    
 H  -0.680987835      0.634520292       1.23548031    
 H   -1.96860087       8.14887881E-02  0.592553318    
 O   -6.59545231       4.17613888      -6.41383827E-02
 H   -7.30205441       3.92294812     -0.653118789    
 H   -6.06546640       3.37730432       9.58932266E-02
 O   -3.73466229     -0.348731726       1.20397437    
 H   -4.07221937      -1.23960185       1.16339052    
 H   -3.68396950     -0.111088537       2.14825678    
 O   -4.93174553       2.96277428       3.21121073    
 H   -5.64493465       3.61822701       3.19329929    
 H   -4.81491327       2.68247533       2.29383588    
 O    1.46804881       3.80559111      0.116933271    
 H   0.905259848       3.27824497     -0.461966157    
 H    1.00701928       4.64370966      0.260850787    
 O  -0.232633486       5.83417892      0.997666240    
 H  -0.683385670       5.00296497       1.20905316    
 H  -0.254082084       6.32340670       1.82945549    
          69
 Ord_Energy   -249.173431    
 O   -5.08740425      -3.41532540       3.50006914    
 H   -5.98287535      -3.67459869       3.24101543    
 H   -4.48601341      -4.05268240       3.09562874    
 O   -5.11847162      -7.81852818       2.92647958    
 H   -6.05340910      -7.56965876       2.94104075    
 H   -4.61978149      -7.02982903       2.68255019    
 O   -9.68249702      -7.32953262       6.98809242    
 H   -9.94817829      -8.14482117       7.40862417    
 H   -8.74383926      -7.43268967       6.75820923    
 O   -7.68524504      -4.27952480       3.04609632    
 H   -7.91094685      -4.04540253       3.96066976    
 H   -7.67540407      -5.24607706       3.03540874    
 O   -6.55817032      -4.98629522       7.45918131    
 H   -5.77239704      -4.54425526       7.10407829    
 H   -6.88015175      -4.49690342       8.22512436    
 O   -6.78284597      -1.20342624       8.11451054    
 H   -7.28374004      -1.01102948       7.31056213    
 H   -7.24128246      -1.92414474       8.56113911    
 O   -7.89856052     -0.996417046       5.51916981    
 H   -7.05775404     -0.797222257       5.08198547    
 H   -7.95840311      -1.96280777       5.57779169    
 O   -8.27600098      -3.71242547       5.64534092    
 H   -9.21416855      -3.79276228       5.85571146    
 H   -7.76643038      -4.19933605       6.30306149    
 O   -10.0871668      -4.76664495       8.20840454    
 H   -9.97324371      -5.65392303       7.84579945    
 H   -10.6049461      -4.27508307       7.55656576    
 O   -2.97018933      -6.05677986       5.30492449    
 H   -3.39554286      -5.31928921       5.76312780    
 H   -3.46515560      -6.85306501       5.53146982    
 O   -11.0844631      -3.46014214       5.96256876    
 H   -10.9815273      -2.57260752       5.59558630    
 H   -11.4790583      -3.99597359       5.26154709    
 O   -7.02124310      -7.38497829       6.27961540    
 H   -6.80701494      -6.56082392       6.74410868    
 H   -6.18843842      -7.84516191       6.11946106    
 O   -3.40248013      -5.51428699       2.67412996    
 H   -2.60081935      -5.51593637       2.15753841    
 H   -3.14731646      -5.71736193       3.59253502    
 O   -4.43804836      -3.81825376       6.18929863    
 H   -4.24165773      -2.95042086       6.56419516    
 H   -4.70771313      -3.67446017       5.27003384    
 O   -7.72385263      -7.01398611       3.54529953    
 H   -8.68332100      -7.13936806       3.58090377    
 H   -7.42891788      -7.08667994       4.46301985    
 O   -7.97853422      -3.50303888       9.36141109    
 H   -8.06694317      -3.54398489       10.3101721    
 H   -8.77531338      -3.92264199       8.98965549    
 O   -11.9431028      -4.83475590       3.66754389    
 H   -12.7635431      -4.86694384       3.18287683    
 H   -11.3443327      -4.24767733       3.17085791    
 O   -4.55650139      -8.45966530       5.49641323    
 H   -4.72530222      -8.31511974       4.54677629    
 H   -4.15806484      -9.32216644       5.57696199    
 O   -10.4468517      -1.04727316       4.58325815    
 H   -10.8476105     -0.189494431       4.46899652    
 H   -9.54105091     -0.891966641       4.90247107    
 O   -5.35955048     -0.773542583       4.50400257    
 H   -5.18812084      -1.59947085       4.03154230    
 H   -4.85180426     -0.822474062       5.32275867    
 O   -10.2029505      -3.10014343       2.53553224    
 H   -9.30138683      -3.44920897       2.54427481    
 H   -10.2117634      -2.32741117       3.11265373    
 O   -4.24494410      -1.21362162       7.15158892    
 H   -3.67440867     -0.644033432       7.65986490    
 H   -5.12447119      -1.17920399       7.56938457    
 O   -10.3899860      -7.15882254       4.17878437    
 H   -10.2933464      -7.19299650       5.13773346    
 H   -10.9603491      -6.40391922       3.98960614    
          69
 Energy    -249.17340111815108     
  O     -6.08927526      2.79620521     -1.11447101
  H     -5.31394290      2.43647447     -0.65278377
  H     -1.50070477      1.84029607      2.88240229
  O     -2.90672149      3.61124622     -3.10392713
  H     -5.81797885      3.65665055     -1.45867714
  H     -2.24628067      4.25720656      0.41414042
  O     -6.98689497      2.67318776      1.54635447
  H     -1.97077618      3.63230347     -2.86719828
  H     -1.22285383      3.48279071     -0.50785814
  O     -3.40186192     -1.88398216      0.46813721
  H     -3.15832370      2.67978125     -3.07598403
  H      1.86644588     -0.77056401     -0.47138214
  O     -0.86439996      0.32293171     -2.09850392
  H     -6.86774594      2.78912890      0.59458459
  H      1.86666447     -0.16123526      0.94421771
  O     -3.51525006      0.85695492     -2.58800266
  H     -7.14505905      1.73067346      1.67677503
  H      2.41241858      1.86830994      2.50214765
  O     -0.33344888      3.10772708     -2.05396347
  H     -3.19992372     -2.81019531      0.58008026
  H      0.96344661      1.65825900      2.01264208
  O     -1.05353824     -0.48749346      0.57598905
  H     -2.54834687     -1.41821615      0.45932105
  H     -7.02359934      0.61297070     -3.34707927
  O      1.86859988     -0.05765264     -2.25919587
  H     -1.76267069      0.37324272     -2.45111253
  H     -6.35280548      1.39174290     -2.18945228
  O     -7.15927474     -0.16178862      1.76212918
  H     -0.94937484      0.07148807     -1.16746459
  H     -3.57841138      1.30322216      3.32961687
  O     -4.40090719      0.04120842      2.27011654
  H     -4.41498609      0.63959433     -2.85324994
  H     -3.66409385      2.83384224      3.39723043
  O     -0.80004828      1.77120411      2.21970970
  H     -3.56989161      1.08730498     -1.64598866
  H     -5.13724573     -1.42821329     -0.34422323
  O     -1.69685086      3.46406595      0.33218883
  H     -0.54685146      2.16742604     -2.13091512
  H     -6.12551578     -0.69847390     -1.29783796
  O      1.63372344     -0.95702221      0.44686964
  H      0.57488287      3.12570775     -1.71957921
  H     -3.99985345      1.21253421      0.83197090
  O      1.89719724      1.56683882      1.75797906
  H     -0.14160918     -0.81592717      0.56752466
  H     -3.10428563      2.32634432      0.18867569
  O     -6.32106578      0.56649881     -2.70403411
  H     -1.06786926      0.26842587      1.17796548
  H     -4.11224154      5.37187529     -0.21289198
  O     -3.11359522      2.08610446      3.65717956
  H      2.17995053     -0.37333778     -3.10368105
  H     -4.12421102      5.00657707      1.30097656
  O     -6.06729840     -1.21460533     -0.48506497
  H      0.90369282      0.03182846     -2.33343514
  H     -5.02352827      5.89837607     -2.52568160
  O     -3.82769888      1.70634653      0.02293672
  H     -6.85466270     -0.56357298      0.92844055
  H     -4.12698731      4.64190223     -2.41555509
  O     -3.58548401      5.38712713      0.59466106
  H     -7.84370314     -0.72760623      2.10895050
  H     -5.71933579      3.59456708      2.35337371
  O     -4.85244802      5.13135739     -1.98598898
  H     -4.06028400     -0.72508174      1.79173884
  H     -5.37915215      4.65744099      3.41847094
  O     -4.99183619      4.11515176      2.73469652
  H     -5.36421895     -0.02260914      2.24690484
  H      2.09743101      2.28822618     -0.02892583
  O      2.12707999      2.51673210     -0.96581685
  H     -1.01484178      2.44284186      1.55263662
  H      2.21089095      1.67680482     -1.43429290
          69
 Energy    -249.17318323543100     
  O     -4.35157142      5.56853660     -3.52891675
  H     -3.58929818      5.12470274     -3.10953976
  H     -2.99456102      9.90297209      2.73166514
  O     -3.04882189      2.10514731     -0.74337768
  H     -4.18654096      5.57624213     -4.46720567
  H     -6.39005351      0.94653739     -1.28285060
  O     -2.91160484      6.47997412      3.63655132
  H     -3.96192974      1.80889929     -0.83190032
  H     -6.01781380      2.44631150     -1.22781179
  O     -5.79719041      4.49227109      6.10166811
  H     -2.85148411      2.04641683      0.19941915
  H     -2.52930075      3.23833237      1.93514939
  O     -5.98921370      8.65381613      2.61004667
  H     -2.60562753      5.91893455      2.90765509
  H     -2.65138541      2.13809693      3.02292363
  O     -2.35199610      4.36944854     -2.20476872
  H     -2.86986257      7.38839999      3.31740020
  H     -2.90142892      8.09425744     -0.68156886
  O     -2.22786161      4.93781897      1.48222281
  H     -6.31730088      4.35285343      6.88808702
  H     -2.42779873      8.52707006      0.71899488
  O     -5.66163782      6.30525022      4.00532541
  H     -5.76013508      3.63793411      5.63361638
  H     -5.61917395      4.56151171     -2.55853742
  O     -5.47078208      2.15905335      4.77205041
  H     -6.69231771      9.19714904      2.96027231
  H     -6.77450307      4.62924970     -1.49238144
  O     -2.92965378      4.59743562      5.74555418
  H     -5.98684777      7.83435683      3.13201356
  H     -2.01106398      1.55633463      5.45987343
  O     -7.87492989      5.60227630     -0.50189531
  H     -1.72335963      4.87833991     -1.68236049
  H     -2.63090477      2.95259739      5.21191331
  O     -3.22283409      9.03033474      2.41774572
  H     -2.53323196      3.55151739     -1.71849971
  H      0.27352394      6.20673712     -0.72472228
  O     -5.89247895      1.58893892     -0.78385205
  H     -3.07560656      5.03271152      1.01670088
  H     -1.10542541      6.84391512     -0.42210536
  O     -2.83266161      2.33211629      2.09579953
  H     -1.54331417      5.22560754      0.86720784
  H     -6.45476218      3.84287549      2.04294545
  O     -2.10971268      8.23785981     -0.14254869
  H     -5.82258170      5.76434822      4.78905358
  H     -6.49348484      5.23815731      2.74334982
  O     -6.07363021      4.06914210     -1.86578611
  H     -4.70272898      6.31031271      3.86713206
  H     -4.65476670      2.28149405      1.99777788
  O     -2.60570701      2.03447030      4.88830468
  H     -5.67945088      2.07270203      3.83285547
  H     -5.83047684      1.90509309      1.07142636
  O     -0.63708228      5.99705955     -0.53711614
  H     -4.52992592      1.95770368      4.85217985
  H     -6.55879994      8.34821094      0.73670631
  O     -6.79940153      4.74496951      1.97266913
  H     -2.79833979      5.30728982      5.10340781
  H     -6.05098609      8.10863762     -0.69498723
  O     -5.62095921      2.22089049      1.95872623
  H     -3.85656167      4.64320705      6.00982955
  H     -4.91319029      4.72430954     -0.48719586
  O     -6.85581478      8.20166381     -0.16699901
  H     -7.64740236      6.54177021     -0.45903853
  H     -5.39170695      5.20576170      0.88913468
  O     -4.64476477      5.24764972      0.27858444
  H     -7.72444189      5.26546791      0.39117206
  H     -4.50610862      6.74868355     -0.74124647
  O     -4.44443575      7.44697723     -1.41209987
  H     -4.19163153      8.97994380      2.42123164
  H     -4.43637144      6.98567427     -2.25914914
          69
 Energy    -249.17301236045569     
  O     17.19971547      7.76942906    -15.83871195
  H     17.69763494      7.09019849    -16.31215852
  H     17.99743632      3.95659466    -12.21381363
  O     19.60531442      5.46971859     -9.64154491
  H     16.32910741      7.39233775    -15.64270112
  H     16.64408899     10.80193109    -16.68990428
  O     15.65019215      9.81393598    -10.62130357
  H     20.27042319      5.27251985     -8.98779644
  H     16.82310432      9.50272726    -15.87567769
  O     14.10239310     10.63059586    -14.30895866
  H     19.43319333      6.42845822     -9.58518258
  H     18.09550915      7.61352568    -14.18697975
  O     18.46181842      5.56623124    -16.98223192
  H     15.09763565      9.07690793    -10.91212840
  H     18.37824143      8.19115934    -12.75801088
  O     16.87837630      4.58080274     -9.52266556
  H     15.35532191     10.61067988    -11.07939521
  H     11.98457448      8.02180228    -13.55247103
  O     14.24662066      7.45468940    -11.28826604
  H     14.86193059     10.49523307    -14.88971637
  H     13.30217600      7.89843283    -12.75634595
  O     19.49239007      5.01167450    -12.40396565
  H     13.70270373      9.76790440    -14.14865712
  H     15.96208358      7.71547029     -8.36125109
  O     14.81921110      6.21449226     -8.83755885
  H     18.84853549      5.02047160    -16.27364447
  H     16.20659188      9.09868496     -8.97512161
  O     16.06243733      6.01317345    -12.72484212
  H     19.00912273      5.44129440    -17.75289464
  H     16.50902796      3.00734144    -15.26990649
  O     19.33437500      3.93877388    -15.00359045
  H     16.85103204      4.05167486    -10.32958468
  H     16.73185589      1.49869189    -15.01131334
  O     17.13042267      3.53050127    -12.12879519
  H     17.79025739      4.88891444     -9.45225474
  H     18.21203568      8.21190846     -8.96358775
  O     16.51270308     10.42112335    -15.82448727
  H     14.90536485      6.94652753    -11.78803646
  H     18.94793838      8.66896577    -10.24001988
  O     18.38212529      7.38502381    -13.29509026
  H     14.26313145      7.07850300    -10.39899696
  H     18.19366124     10.38242230    -12.33035029
  O     12.93169409      8.11164860    -13.62921295
  H     19.21019523      5.87922580    -12.73156141
  H     17.34519935      9.62568472    -11.29466299
  O     16.53591618      8.48764553     -8.30157016
  H     19.66835301      5.12239813    -11.46065668
  H     14.06007072      7.06535961    -14.79754049
  O     16.94014578      2.36694101    -14.67680689
  H     14.34564914      5.79356508     -8.12485917
  H     15.24835616      6.24985976    -14.26671833
  O     19.01499354      8.07124145     -9.48712157
  H     15.54829231      5.61432757     -9.07763931
  H     15.40496915      4.99995136    -16.01126413
  O     18.20644758      9.61967195    -11.73620674
  H     16.87926507      6.51762371    -12.84412265
  H     16.74648288      4.70204103    -16.70751100
  O     14.81547968      6.54285819    -15.08577672
  H     16.31569248      5.11454115    -12.48204528
  H     14.59936390     11.58844038    -12.95241483
  O     15.95668338      4.28151841    -16.34567773
  H     18.63342772      3.28723735    -14.87997627
  H     14.50275157     12.85644610    -12.06664687
  O     14.99429604     12.04913968    -12.19021569
  H     19.55919893      4.26212989    -14.12133355
  H     17.29158626     11.30773750    -14.29010526
  O     17.58250800     11.68983920    -13.45343989
  H     16.99628817      3.01352553    -12.93237699
  H     16.77449565     11.95765961    -12.99803865
          69
 Ord_Energy   -249.172653    
 O    5.90419483       5.32823896       11.7402163    
 H    5.51461411       5.80326462       10.9831553    
 H    6.43601942       5.95817375       12.2182112    
 O    7.81924057      0.788612247       10.8825855    
 H    8.48845291      0.561025202       11.5214462    
 H    7.07516909      0.172018185       11.0179729    
 O    1.43284011       2.02703452       6.02226400    
 H    1.72133005       2.75453997       6.58847570    
 H    2.06044340       1.96982217       5.29140425    
 O   0.885292768     -0.176063493       7.47349787    
 H    1.02769458      0.593533933       6.89035749    
 H   -4.36665118E-02 -0.385160416       7.43536043    
 O    4.66296577       6.38491535       9.57173061    
 H    4.89636326       5.76547575       8.86551380    
 H    3.71620107       6.26953650       9.71780872    
 O    4.11850548     -0.860845566       4.43072224    
 H    3.74560761      -1.24866307       5.23387051    
 H    5.04214001      -1.13971269       4.40641499    
 O    2.45288968       1.34291804       9.24821281    
 H    1.84100151      0.762309253       8.78188610    
 H    2.36381412       2.22428751       8.85690498    
 O    2.40741563       3.81552958       8.01124191    
 H    3.35972762       3.95532298       7.90679455    
 H    2.11576414       4.43823242       8.68913555    
 O    5.16766310       4.18328476       7.90778351    
 H    5.37210131       3.72507930       7.08211517    
 H    5.56683493       3.68097329       8.63249588    
 O    6.78513336      -2.33413553       7.38468647    
 H    7.18251324      -1.51160884       7.70389414    
 H    6.75936699      -2.24662876       6.42510366    
 O    4.02727079       1.56399071       11.4424925    
 H    3.35998368       1.42911613       10.7517872    
 H    4.75209665       2.04940271       11.0216627    
 O    5.61553574     -0.754363775       11.1207323    
 H    5.24431038      -1.34542501       10.4570303    
 H    4.94483566      -8.81706029E-02   11.3239956    
 O    3.23617220      -1.62356925       6.95549059    
 H    2.37654710      -1.24320018       7.17981625    
 H    3.58746004      -2.06878424       7.73712492    
 O    1.97481143       5.53365564       10.1853456    
 H    2.37087297       5.03911400       10.9251928    
 H    1.24204206       6.02615595       10.5450382    
 O    7.48929548      0.257192552       8.14336395    
 H    6.53470802      0.422634870       8.09597588    
 H    7.76119184      0.451723218       9.04615402    
 O    6.16140556       2.97262740       10.2406788    
 H    6.22761965       3.74113584       10.8243046    
 H    6.85308695       2.34342623       10.4805775    
 O    5.38468170       2.47144771       5.74577522    
 H    4.73498583       2.35810542       5.04189301    
 H    5.15472031       1.81380951       6.42130995    
 O    3.28363824       4.20743990       12.1726437    
 H    4.16529751       4.59824419       12.2069263    
 H    3.42160392       3.25553513       12.0868330    
 O    3.36129236       1.68584228       3.96053386    
 H    3.61772132      0.752537549       4.08012962    
 H    3.20534587       1.81220353       3.02867675    
 O    6.84712553      -1.57431579       4.60981274    
 H    7.19562960     -0.693281591       4.83672762    
 H    7.43402529      -1.93940651       3.95293474    
 O    4.74592638      0.634879053       7.73533010    
 H    4.06748199      0.952416420       8.34232044    
 H    4.37278891     -0.159481645       7.33264494    
 O    4.72573233      -2.67865109       9.10512924    
 H    5.48526859      -2.62622213       8.49526787    
 H    4.72191525      -3.56483746       9.45899868    
 O    7.70263052      0.872152984       5.42400122    
 H    7.84205437      0.717562079       6.36898184    
 H    7.00524426       1.53867841       5.37846708    
          69
 Energy    -249.17262131423331     
  O     14.78689126     10.90089717    -15.86447883
  H     14.01449344     10.31634217    -15.93678172
  H     17.27852142      4.43958796    -16.16924137
  O     14.31841513      4.86754039    -15.81195314
  H     15.25014499     10.86082436    -16.70573454
  H     20.26155726      7.56842467    -14.84290164
  O     17.74952299      8.65584173    -12.30364002
  H     15.09710149      4.55601484    -16.28620029
  H     20.29162190      6.92754640    -16.24693245
  O     19.94215273      7.44352540    -18.05884098
  H     13.85300402      5.46585769    -16.40918632
  H     19.10008950      8.87350324    -17.24103948
  O     17.67776935      6.11287353    -18.70786737
  H     18.52256750      8.89134868    -12.82625995
  H     17.86383319      8.84025356    -16.31414114
  O     13.46106297      8.39546730    -10.30245515
  H     16.98154483      9.01084715    -12.78218642
  H     17.02363669      6.89348727    -15.37216499
  O     14.42550231      5.63176965    -13.18849097
  H     20.57659839      7.34966936    -18.76396669
  H     16.21425735      8.19337028    -14.99349670
  O     15.60194766      9.38896247    -13.77054717
  H     19.15522194      6.93105625    -18.31989182
  H     12.77498455      8.23277690    -16.31913898
  O     17.97164277      5.35863105    -14.86375235
  H     17.40215057      5.34019920    -18.19861738
  H     12.75432442      8.70730736    -14.84990011
  O     13.80108034      5.54194334    -10.45130355
  H     16.91607794      6.70639882    -18.71738444
  H     15.44484686      5.42614273     -9.87181887
  O     19.80642794      9.35860729    -14.19805072
  H     13.05527939      8.97216201     -9.66072248
  H     16.56936363      4.88617169     -8.95361053
  O     16.84064660      4.05101782    -16.94789677
  H     14.42326575      8.46352705    -10.17053184
  H     13.93468447      7.18293719    -17.91346856
  O     20.29829761      6.72184765    -15.30330583
  H     14.36816223      5.29360564    -14.09421849
  H     12.54159951      6.63586329    -18.30348333
  O     18.53442487      9.43360393    -16.69197693
  H     15.35963783      5.73033900    -12.96630263
  H     17.37565379      6.87469670    -12.31973436
  O     16.64023211      7.70925111    -15.71316148
  H     15.38574107     10.05142263    -14.44434469
  H     16.98655962      5.66892102    -11.42394544
  O     12.74944745      9.01968029    -15.76435539
  H     14.76869946      8.99520057    -13.47986056
  H     16.35245109      7.42597263     -9.72348869
  O     16.39549407      5.49312457     -9.66718351
  H     18.85057397      5.75042776    -14.97736839
  H     16.79398517      8.57949654    -10.64536809
  O     13.12487791      6.77677716    -17.56156767
  H     17.73742285      5.41142987    -13.92729224
  H     16.73762852     11.32357167    -18.74972629
  O     17.11991418      5.94101123    -12.33981997
  H     13.86675690      5.42098656    -11.40932699
  H     17.27330668     10.31196217    -17.71191981
  O     16.17222268      8.34847047     -9.94417810
  H     13.52048095      6.45660715    -10.32315679
  H     13.16502301      8.29871593    -12.15261965
  O     16.48725162     10.57126410    -18.21904001
  H     19.37255993      9.53959440    -15.04680108
  H     13.58489346      7.21824701    -13.17968514
  O     13.23790609      8.11973680    -13.09811116
  H     20.43210550     10.06587017    -14.05617206
  H     15.73430130      8.82262653    -18.41224726
  O     15.54016803      7.90046929    -18.20934103
  H     17.04909861      3.11994663    -16.94397969
  H     15.85177674      7.76238274    -17.29855820
          69
 Energy    -249.17184573685870     
  O     10.67660348      9.10273293    -12.87592556
  H     10.88469665      9.99144488    -12.56328078
  H     17.88713279     11.63540499    -15.69485784
  O     16.81019785      8.34662996    -14.11399405
  H     10.72450279      9.14655510    -13.83733833
  H     11.59421810     11.13336257    -15.26431749
  O     16.62710874     11.62482134    -11.28040210
  H     16.75359772      8.11024478    -15.04571295
  H     11.73822135     11.98235054    -13.98645228
  O     14.57928093     12.12196276    -15.41010027
  H     16.05871106      8.94383719    -13.95883304
  H     14.29277622     10.11582661    -12.97102531
  O     13.49318993      7.81364449    -15.32166545
  H     17.22219378     11.13937480    -11.86883790
  H     14.57362427     10.63914678    -14.41215675
  O     16.24785181      8.38683116     -8.55792741
  H     16.94597561     11.46070216    -10.38386944
  H     12.40641183      6.55062779    -12.22892062
  O     15.97864488      6.66639497    -12.09387212
  H     13.62356237     12.23532716    -15.30721449
  H     11.44912635      7.74191602    -11.98961916
  O     14.00526095     10.74352008    -11.28858984
  H     15.04398580     12.67784759    -14.76626405
  H     19.08389039      9.49879857    -11.40257629
  O     15.87725081      8.05590544    -16.77660681
  H     13.50558035      7.02630945    -14.76277421
  H     18.80069079      9.70450407     -9.90128389
  O     17.98186941      6.69474937    -10.14012066
  H     13.79044066      8.55033024    -14.76093451
  H     14.54256660      5.96921643    -12.94416373
  O     16.67454458     10.87255576    -16.69620596
  H     15.41731428      8.32575616     -9.04981024
  H     13.71241708      4.76969292    -13.44749846
  O     18.47552727     12.09314460    -15.06763589
  H     16.82127175      7.71204963     -8.94017758
  H     17.08764338     13.02665628    -14.05962726
  O     11.89117653     11.99192779    -14.93989085
  H     16.67336853      6.55340336    -11.43249667
  H     16.35005836     12.89308788    -12.71677007
  O     14.55431560      9.84620316    -13.85835611
  H     16.35143263      7.20767493    -12.80504501
  H     17.96935415      9.52819649    -13.38548866
  O     11.97032265      7.05981694    -11.53860123
  H     14.03707263      9.86007266    -10.89285340
  H     18.59733505     10.91497295    -13.65335064
  O     19.18862592      9.08756914    -10.53385183
  H     14.89388511     11.12224384    -11.23839398
  H     17.06398266      9.92811629     -8.64386719
  O     13.75285377      5.72328334    -13.45393715
  H     15.91187252      7.50882192    -17.55748609
  H     17.76381790     11.11870072     -7.94487826
  O     16.28515332     13.29209102    -13.59277773
  H     14.99719810      7.93029474    -16.38702757
  H     14.84371619      7.68753566    -11.00089940
  O     18.43700700     10.26114418    -12.96109280
  H     18.47396687      7.51790227    -10.31402940
  H     13.33744040      7.77250419    -10.67058208
  O     17.59163504     10.73235589     -8.79907877
  H     18.61396011      6.06141821     -9.81087220
  H     12.44272601     11.43017879    -11.75817024
  O     14.20320281      8.14155161    -10.43850497
  H     16.42268028      9.95159072    -16.81186097
  H     11.21020944     12.31898386    -11.47813456
  O     11.58099356     11.70898862    -12.11089109
  H     15.87859893     11.33911314    -16.39655168
  H     10.63007794      8.99932762    -16.43772133
  O     11.16716251      9.29276496    -15.70549748
  H     19.11545960     12.56968509    -15.58946832
  H     11.94441909      8.71304599    -15.67843910
          69
 Energy    -249.17183966901521     
  O     15.92491933     13.82798988    -10.08780983
  H     15.08469641     13.44144495     -9.79415949
  H     14.39047805     11.78121530    -12.93415435
  O     13.79660486     12.73982834    -15.94272734
  H     16.64423795     13.25322913     -9.80125054
  H     12.43470355     15.31520207    -14.72839732
  O     17.44246052      9.98399482    -11.17813587
  H     14.61613938     12.74482702    -16.45202527
  H     13.34255800     14.07833657    -14.89651251
  O     16.73046229     16.08695092    -11.33198452
  H     13.59553342     11.80794735    -15.79618579
  H     12.56907986     12.47630260    -12.28752521
  O     13.84444029      9.92448548    -15.37271592
  H     17.46495670      9.03260137    -11.33944011
  H     12.54240146     13.96463032    -12.61425808
  O     17.31413464      7.31366799    -12.02817395
  H     17.61538617     10.39911067    -12.03685782
  H     20.64947758     13.41490804    -14.13031882
  O     16.56367346      7.57098583    -14.62634815
  H     16.68968917     16.86630574    -10.78365733
  H     19.51190447     13.72669489    -13.12756392
  O     15.78705287     12.91605475    -12.75651916
  H     16.35739639     15.35498294    -10.80856520
  H     13.83228755     11.65458369     -9.74060929
  O     14.60997036     10.05571002    -10.55222520
  H     14.79842945      9.97811229    -15.53187885
  H     13.04929010     12.88220808    -10.28786426
  O     16.61112049     10.15825149    -15.77374012
  H     13.66857289      9.01661190    -15.09452486
  H     16.82665081     13.16518085    -16.76218460
  O     17.64021240     14.28074020    -15.73697251
  H     17.12396404      7.40728864    -12.97944703
  H     16.46241933     12.73394660    -18.20342499
  O     13.68291766     11.12023642    -12.88730471
  H     17.86824959      6.54341760    -11.93468094
  H     13.13211858      6.59068718    -14.41831101
  O     13.15506187     14.84118863    -14.31982639
  H     16.68141692      8.38315834    -15.13510699
  H     13.89633905      7.38227302    -13.33283699
  O     12.30250492     13.33470179    -11.92739846
  H     15.61477427      7.39280538    -14.62927237
  H     18.79382987     13.60050267    -10.92342221
  O     19.70820869     13.33967126    -13.99967051
  H     15.77877577     13.17330807    -11.82580840
  H     18.32891188     14.96114377    -11.49607494
  O     13.61357956     12.57761572     -9.56133935
  H     15.80340666     13.73125849    -13.27229762
  H     17.08830477     11.89395927    -13.31064560
  O     16.31771525     12.51981703    -17.28571159
  H     14.22251799     10.37634113    -11.38365684
  H     18.57166882     11.88172830    -13.76026312
  O     13.72230379      7.32837825    -14.28955292
  H     15.56583509     10.07525865    -10.68100316
  H     15.41083739      7.28347320    -11.68400025
  O     19.01537372     14.28759669    -11.56348320
  H     17.07006028     10.51278407    -14.99815561
  H     14.35919929      8.27548257    -11.17001749
  O     17.82140888     11.30879866    -13.56306281
  H     16.56857004     10.88284434    -16.41021398
  H     18.63063087     11.94728701     -8.91464070
  O     14.46181255      7.45698566    -11.67222671
  H     17.05428132     14.80101778    -15.16999343
  H     17.96142180     11.36671061    -10.17924632
  O     18.18421968     12.19406988     -9.72116684
  H     18.39088368     14.01786523    -15.19228830
  H     16.07906360     15.81997097    -13.08212715
  O     15.85128428     15.44982859    -13.94471851
  H     13.67004698     10.66193449    -13.73492430
  H     14.88790446     15.41723412    -14.03072992
          69
 Energy    -249.17182641990428     
  O     -0.89116374     -0.99663840      3.04793383
  H     -0.78182822     -0.54012186      2.20348468
  H      0.11953849      4.48425858      2.96985156
  O     -0.96262650     -0.72846002      7.48319272
  H     -1.77138812     -0.74773143      3.37243065
  H     -0.77653776      3.54410733      4.87173842
  O     -6.24450099      0.60638963      2.22030713
  H     -1.75697641     -1.27857344      7.39892423
  H     -0.85170838      2.01926950      5.15304264
  O     -5.16000475     -1.88591709      2.88637654
  H     -0.40825079     -1.15230589      8.13509623
  H      0.40618034      3.42506496      1.03791983
  O     -3.71552259     -3.25434462      0.88371185
  H     -6.23988099      1.06636814      3.06612354
  H     -1.11068493      3.70575811      1.10405687
  O     -0.81766377      0.53306568      0.72412305
  H     -6.04510909     -0.31957788      2.41940437
  H     -1.85288215      1.00519443      7.68231190
  O     -3.01841191     -0.91799719     -0.27025203
  H     -4.47158339     -1.27085332      3.18488002
  H     -2.06614583      2.28967681      6.85654299
  O     -3.35431736     -2.19329154      7.31869617
  H     -4.76572132     -2.40772329      2.17481121
  H      1.48821328      3.00602333      3.83096469
  O     -3.83755308     -3.34015493      4.96887383
  H     -3.43634215     -2.44099507      0.42581408
  H      1.40422146      1.51434711      4.21656832
  O     -2.65006666      2.63217645      1.00416194
  H     -3.94343517     -3.88582266      0.20692294
  H     -3.61461609     -0.05013370      4.83012778
  O      1.60846585      1.91747790      0.93906302
  H      0.06532646      0.92034507      0.68763240
  H     -3.37369192      0.84823244      3.60441509
  O      0.38135219      4.59267847      3.90213655
  H     -1.43450708      1.26864850      0.85163670
  H     -5.38548409      1.05466291      0.76255690
  O     -1.34030222      2.85135801      5.23824113
  H     -3.67674086     -0.21301953     -0.25373923
  H     -5.50632833      1.48465189     -0.71672946
  O     -0.24564402      4.08131963      1.31422731
  H     -2.17551949     -0.50619379     -0.04050689
  H     -3.83797787      0.87668329      6.89320196
  O     -2.45466503      1.74945368      7.55863687
  H     -3.70955238     -2.75960515      7.99854409
  H     -4.28597819     -0.60361990      6.82149859
  O      1.86183551      2.13746217      3.63733433
  H     -3.50346418     -2.65082157      6.46966576
  H     -6.66483070      2.35379202      5.30162743
  O     -3.30970114     -0.06343182      3.91444843
  H     -4.50244817     -2.96635261      4.38034615
  H     -5.54521107      1.29995822      5.44149318
  O     -4.87361435      1.25677607     -0.04044820
  H     -3.08594872     -3.55267356      4.39520370
  H     -1.36904219     -2.82056817      3.04168441
  O     -4.46491366      0.27254401      6.46289646
  H     -2.96556475      2.75473467      1.91250093
  H     -2.42988107     -3.61796979      2.26716268
  O     -5.96223248      1.92157543      4.82204100
  H     -3.39849037      2.26859101      0.51577643
  H     -0.13970102     -0.09664843      4.38947324
  O     -1.87227224     -3.64540274      3.05505370
  H      1.76183923      1.93389741      1.90081323
  H     -0.14641209      0.02161602      5.93526374
  O      0.12864179      0.47061550      5.12839108
  H      2.46470697      1.86043947      0.52412074
  H     -4.38253614      2.64529180      4.04254252
  O     -3.53930863      2.71820513      3.58071562
  H      0.67675935      5.49322041      4.00310861
  H     -2.83168843      2.83224001      4.23270543
          69
 Energy    -249.17168878681218     
  O     -6.87903040      2.75945764     -0.72622144
  H     -6.62688561      2.56803050      0.18802509
  H     -7.76534124     -0.90806025      3.43469075
  O     -4.54922945      3.15053719     -2.52571165
  H     -6.07561962      3.00697644     -1.19723900
  H     -3.89331925     -1.25700913      3.05843566
  O     -6.04242952      1.78605215      1.78106470
  H     -4.62211129      3.82253002     -3.19944416
  H     -5.20869307     -0.69348364      3.61425443
  O     -3.31942078     -1.81912989      1.36800773
  H     -3.59958838      3.04993990     -2.34189232
  H     -0.65663212      0.50897416      1.74196884
  O     -1.28563319     -0.08453511     -1.93580242
  H     -6.51537932      1.11430393      2.28713548
  H     -1.19952728      1.35270653      2.94844404
  O     -5.09068488      0.40598471     -2.44952339
  H     -5.38487346      1.29973159      1.25843972
  H     -1.79747439      2.35951905      1.30146563
  O     -4.82683554     -3.24044894     -0.54287332
  H     -3.59757576     -0.96142942      1.00755996
  H     -3.07634001      3.21848047      1.49941053
  O     -3.46583286     -1.82024836     -2.40252031
  H     -3.78121674     -2.47890705      0.83866948
  H      1.08485324     -0.76505400      0.32115141
  O     -1.94003025      2.71390785     -1.81925290
  H     -0.39402703     -0.08723968     -2.30808131
  H      1.97249016      0.49329377      0.34849068
  O     -0.77700623     -0.94985573      0.68050628
  H     -1.58352126      0.83353082     -1.93686216
  H      2.20098377      2.81259849      1.50065911
  O      1.42869068      0.07963067     -2.65518187
  H     -6.03047572      0.30303774     -2.25103370
  H      0.86451891      2.03924204      1.46032981
  O     -7.03614124     -0.53424678      2.94796126
  H     -4.93964350      1.34024545     -2.64073960
  H     -8.58763706      0.33867573     -1.97142270
  O     -4.26331544     -0.74573912      3.79073411
  H     -4.31610940     -2.78521009     -1.23675691
  H     -7.54034551      1.21236977     -1.23825731
  O     -0.59419625      1.36453388      2.19065206
  H     -4.88045159     -4.15710527     -0.79924132
  H     -3.15885066      0.66738218      4.03903007
  O     -2.51252354      2.81219136      0.83061762
  H     -4.08895935     -1.10477496     -2.59451938
  H     -3.15026923      2.19504960      3.82595961
  O      1.90646188     -0.39352548     -0.02801352
  H     -2.62095244     -1.37145634     -2.27468150
  H     -6.27428288     -2.17417095      0.09215074
  O      1.63642905      2.29887808      0.92850055
  H     -2.12513996      2.86454983     -0.87918310
  H     -7.24614896     -1.01133861     -0.24415681
  O     -7.73665946      0.30816128     -1.54218832
  H     -0.98711614      2.84757961     -1.92890196
  H     -3.49780813      1.32819187      0.34178611
  O     -2.58233041      1.44671252      4.03478516
  H     -0.98563043     -0.65685763     -0.21846484
  H     -4.35775429      0.50926860     -0.69143159
  O     -6.96177612     -1.60594890      0.45990893
  H     -1.56009506     -1.41494579      1.00200882
  H     -4.98053172      2.96541478      2.58370077
  O     -4.10532443      0.58416370      0.23642192
  H      1.69513083     -0.15752797     -1.74826343
  H     -4.68397214      4.30966344      3.28976524
  O     -4.26734640      3.54746173      2.89663901
  H      2.03849322     -0.35286970     -3.24595127
  H      1.10799950      1.93570459     -2.21510525
  O      0.80017383      2.74985470     -1.79815662
  H     -7.02071172     -0.97813742      2.08034974
  H      1.10563633      2.70249023     -0.88338994
          69
 Energy    -249.17136672205936     
  O     11.10062007     10.52641996    -11.24735126
  H     10.63439894     10.48110103    -12.09263403
  H     18.16979716      5.73252321    -17.10555532
  O     13.25492140      7.82776042    -15.30066056
  H     11.97657424     10.88059110    -11.44264845
  H     16.78078715     11.29737136    -13.42573781
  O     18.22234830      9.20862295    -16.40152070
  H     13.04674948      7.05091676    -14.76607841
  H     16.75277738     12.81702125    -13.15063433
  O     12.53084598     10.36458006    -14.63922114
  H     13.79413598      7.57617621    -16.06706520
  H     15.99807297      7.25712973    -13.86194936
  O     15.26487306      5.27110352    -10.47189917
  H     17.50151494      9.59401901    -16.91631946
  H     14.74142384      8.06389031    -14.29904521
  O     12.76458964      5.86268369    -13.35710624
  H     18.14080973      8.25527458    -16.52629036
  H      9.89908557      8.11006291     -9.57448525
  O     14.83435385      8.89988606    -11.20762975
  H     12.76322999      9.46519027    -14.91879825
  H     10.74788384      8.97167722    -10.54186855
  O     15.89918441     10.14927597    -17.76330391
  H     11.58440455     10.35083588    -14.45722107
  H     18.38201881      8.25167949    -12.74344330
  O     15.10644670      4.17556120    -12.93625609
  H     14.41105764      5.72479033    -10.41942635
  H     18.02420163      7.44774816    -11.47425602
  O     17.64159526      9.77898788    -13.78075082
  H     15.92466384      5.92923560    -10.22604480
  H     10.27211918      7.43725194    -12.09075310
  O     15.04470810      7.47082119    -17.31177169
  H     12.82991864      6.24625886    -12.46961467
  H     10.96779884      6.73126499    -13.27489146
  O     17.62876092      6.40455861    -16.69904486
  H     13.46098133      5.19776812    -13.38870440
  H     16.48648278      5.15720324    -13.68960379
  O     16.19136821     12.06134654    -13.30522764
  H     14.42097183      9.75127612    -11.39437092
  H     17.64923670      6.20173116    -13.42867594
  O     15.49372618      8.06313154    -13.69596739
  H     15.08584683      8.53990248    -12.07418685
  H     17.13428959      7.95452134     -9.09867644
  O     10.53770448      8.05694942    -10.27991733
  H     15.48773842     10.69222193    -17.06780568
  H     16.18263344      8.15321940    -10.30102992
  O     18.44468007      7.37681287    -12.34009692
  H     15.84581255     10.65464107    -18.57014003
  H     15.26740756     11.84298227    -14.99410121
  O     10.25139794      7.33506455    -13.05117733
  H     15.07454033      3.22395921    -12.87811493
  H     13.91629642     11.26503286    -15.46602296
  O     17.08659469      5.78905970    -14.10371381
  H     15.19510960      4.50840711    -12.02437304
  H     12.15437983      7.21652208    -10.45878215
  O     16.89469633      7.59296189     -9.94848283
  H     16.84174667      9.23175785    -13.75276694
  H     13.59334700      7.64562395    -10.85732210
  O     14.76676366     11.60051172    -15.78064255
  H     17.98814694      9.67239988    -14.67969848
  H     13.29427848     10.88610855    -13.07177514
  O     13.00926434      6.88009737    -10.75202457
  H     15.27815013      8.38015221    -17.54202160
  H     14.52550113     11.61849799    -12.49795274
  O     13.69576561     11.19547990    -12.24488876
  H     15.88517142      7.01894074    -17.17225107
  H      9.99985095      8.98766593    -13.61116072
  O      9.90188074      9.94219733    -13.77868163
  H     17.47495255      6.12198502    -15.78142939
  H      9.03882586     10.06759034    -14.16343932
          69
 Energy    -249.17124229102285     
  O      0.03301134     -7.65814997      1.96854120
  H      0.87238858     -7.41563978      2.38592487
  H      0.22460324     -4.15155917      1.39559466
  O     -0.26570817     -6.48611542      5.64636392
  H     -0.25984557     -8.49604805      2.35051031
  H      0.12739133     -7.09725262     -1.08964801
  O      5.06161448     -8.05464494     -0.47206984
  H      0.57497330     -6.01050304      5.67819755
  H      0.52442625     -7.71688373      0.26308007
  O     -1.01950463     -5.57278397     -1.46455394
  H     -0.85361461     -5.94414486      5.10869115
  H     -0.83638231     -6.19144423      1.63020111
  O     -1.78085842     -4.66156233      3.99535883
  H      5.78012773     -8.41783702     -0.98304785
  H     -1.35169975     -5.38075104      0.41552198
  O      5.00515328     -5.55067286      5.48521672
  H      5.43858572     -7.77051873      0.37960493
  H      2.24672523    -11.99038798      2.12057243
  O      2.71378874     -9.58852652      0.17415680
  H     -1.56567505     -5.40070406     -2.22666136
  H      2.31061809    -10.54413278      1.58853410
  O      4.64553228     -8.07838323      4.14933397
  H     -0.26782916     -4.95487703     -1.51127401
  H      2.80866880     -6.14225702      2.37168209
  O      0.14864192     -9.16499980      5.76950455
  H     -1.68448554     -4.87199935      3.05249038
  H      3.16367355     -7.35740396      3.28037028
  O      3.10468182     -6.09723628     -0.93472841
  H     -2.69083906     -4.40394402      4.12346580
  H      0.32369322    -10.51515348      2.86814194
  O      0.63297139     -3.07838630      4.15295152
  H      5.26808853     -5.15451408      4.63868618
  H     -0.35056624     -9.83369557      4.07954121
  O      0.95224822     -3.51978466      1.46948623
  H      5.66956017     -5.30209312      6.12359000
  H      1.90564457     -9.61643633      5.21543108
  O      0.79654916     -7.64556325     -0.66551266
  H      3.54525046     -9.14131717     -0.02087033
  H      2.55686528    -10.33375769      4.01277713
  O     -1.22220616     -5.33841550      1.36947999
  H      2.02432051     -9.05758221     -0.24276597
  H      5.61573172     -7.67979468      2.67366978
  O      2.06621241    -11.08459842      2.35952427
  H      4.05308987     -8.75597953      4.51265075
  H      6.07329836     -6.30231968      2.18245246
  O      2.43460740     -6.81439336      2.95591179
  H      4.75508969     -7.37718554      4.80097778
  H      6.15027018     -3.75445834      2.70138021
  O     -0.48086404    -10.05986879      3.14892819
  H     -0.21926692     -9.46317946      6.59739599
  H      4.84330975     -4.52278619      2.40600907
  O      2.75596161     -9.87042852      4.83713655
  H     -0.02526191     -8.20881449      5.71949378
  H      2.59417584     -4.21017922      1.48173629
  O      6.01528792     -7.22525963      1.91703897
  H      2.30268175     -6.63395655     -0.84655482
  H      3.40843250     -5.16732548      0.56379814
  O      5.64661815     -4.52360845      2.95633336
  H      3.84352864     -6.71845502     -0.91840179
  H      3.10009213     -5.22262599      5.50361488
  O      3.42168168     -4.70812468      1.41533758
  H      1.23402327     -3.69137562      4.59726814
  H      2.16401461     -5.76366707      4.41507276
  O      2.18600154     -5.19996533      5.20368047
  H     -0.23953509     -3.48661209      4.21605485
  H      1.95654859     -4.58014580     -1.35751564
  O      1.19142852     -3.99151584     -1.33521941
  H      0.90419412     -3.18178237      2.37591973
  H      1.16763111     -3.61642056     -0.44481232
          69
 Energy    -249.17091318289016     
  O     14.78310098      8.84708304    -16.06820553
  H     15.47932337      8.63144423    -16.69593192
  H     16.96201005      2.83216195    -17.64534104
  O     14.20608104      2.53345012    -15.77992430
  H     15.18370389      8.69059041    -15.20550051
  H     20.20787466      5.27836516    -16.33028565
  O     17.96229472      6.38466980    -11.96192899
  H     15.08865319      2.40576409    -16.17470256
  H     21.48619402      4.72411428    -15.65207582
  O     19.34556797      5.71292083    -17.76542638
  H     13.70269867      1.74447935    -15.96141962
  H     17.08125694      6.98076975    -16.67804116
  O     17.57782981      3.90864216    -19.08597396
  H     17.74058309      5.45690220    -12.12961883
  H     17.77576487      8.35616949    -16.63641740
  O     13.89120650      6.26459533    -10.13256236
  H     17.34968137      6.91592457    -12.48636000
  H     15.72890769      5.43638125    -15.97508307
  O     14.61542831      3.74306189    -13.25186791
  H     18.78927642      6.49879181    -17.72927201
  H     17.10328882      4.97541420    -15.36625152
  O     16.31537706      7.81457636    -13.78962878
  H     18.83047627      5.04204762    -18.23179318
  H     13.00501830      6.78749207    -14.55795436
  O     18.24932244      3.59597232    -14.90188289
  H     16.91967591      4.62533675    -19.13258707
  H     13.32384883      7.69049940    -15.76809394
  O     14.06805307      3.41790476    -10.50686290
  H     17.69052754      3.58199977    -19.97506171
  H     15.68776446      3.12958999     -9.89417104
  O     18.44386660      9.17201815    -15.04094530
  H     14.83212606      6.23536791     -9.88249767
  H     16.75418598      2.41167555     -9.02983935
  O     16.68126289      2.38881217    -16.83618194
  H     13.44222144      6.77352741     -9.46281932
  H     13.60101288      5.69763561    -16.46261901
  O     20.59672624      5.01852716    -15.47487667
  H     14.34987242      4.67291263    -13.28199505
  H     14.03721530      4.19901183    -16.61526855
  O     17.33783639      7.73627553    -17.23329044
  H     14.41058567      3.33415565    -14.10044308
  H     19.39084452      6.89629992    -13.10618437
  O     16.52702728      5.73336513    -15.51686090
  H     17.00112838      8.42306240    -14.09496529
  H     20.19522963      6.47757536    -14.36405535
  O     12.79811442      6.92657737    -15.49034106
  H     16.36721183      7.03565939    -14.37282564
  H     17.18385178      3.39863988    -11.43909902
  O     16.63469709      3.11317888     -9.66376777
  H     18.04053688      3.53817766    -13.95920661
  H     16.32349178      3.70674610    -12.69154355
  O     14.21350896      5.09747438    -16.91601925
  H     19.12111815      3.99714516    -15.00136663
  H     17.11939558      6.25371090    -10.26132860
  O     19.89184699      7.24026475    -13.85708401
  H     13.83903153      4.33309640    -10.30274237
  H     16.67172906      5.03311953     -9.43625657
  O     17.23135620      3.71112973    -12.35025535
  H     14.12830753      3.37767026    -11.47131322
  H     15.15939801      5.70288357    -18.36272125
  O     16.53124267      5.98202292     -9.54501238
  H     18.84287832     10.02999638    -14.92553077
  H     16.27438863      6.74828865    -18.61195715
  O     15.83773434      5.98088621    -18.99685721
  H     19.05042189      8.51882006    -14.64497716
  H     14.73933443      7.03444785    -13.11525259
  O     13.98539116      6.46014145    -12.93096991
  H     17.30654066      2.66805909    -16.15238567
  H     13.86319513      6.45836288    -11.97242684
          69
 Energy    -249.17074331083404     
  O     -7.36689464      2.47427822     -0.79655520
  H     -6.70008707      2.94510538     -1.31928722
  H     -7.06915595     -0.73565447      3.50972160
  O     -3.56064786      2.03066187     -3.80641778
  H     -7.58506240      1.67532018     -1.28749084
  H     -1.73034113      1.28024793      2.25430425
  O     -6.23426200      2.13973422      1.63116329
  H     -3.78815625      2.08664332     -4.73152992
  H     -0.69498655      2.42230109      2.29894843
  O     -4.35803294     -1.21057938      1.73122335
  H     -4.09296466      1.30726337     -3.43288367
  H     -2.71104503      3.75282133     -0.25012333
  O     -1.18115594     -0.87211604     -0.96085053
  H     -6.76025501      2.32495697      0.83476745
  H     -1.97002204      2.74158664      0.67355587
  O     -4.99458760      0.10726147     -2.48821242
  H     -6.58956589      1.34551226      2.04481686
  H      0.14765636     -0.54820120      2.19905580
  O     -5.12670465     -3.29691580      0.03775041
  H     -4.55786257     -2.00975429      1.22587017
  H      1.21554519      0.55631682      2.15833536
  O     -3.52415505     -2.19031623     -1.80361620
  H     -4.27730876     -0.48468218      1.09044876
  H      1.78149138      3.09199366      1.91220335
  O     -1.18940418      1.57023712     -2.31475031
  H     -0.24926900     -1.11009182     -0.87685411
  H      1.15257788      2.24887015      0.78026555
  O     -1.67489809     -0.50971825      1.78847724
  H     -1.21123930     -0.05456949     -1.47817708
  H     -7.70536661     -0.63214572     -1.35052271
  O      1.57651969     -1.15352594     -0.42643791
  H     -4.77035506      0.42095095     -1.59749433
  H     -8.55543786     -0.30132230     -2.60037163
  O     -6.84675677     -0.45191285      2.62647967
  H     -5.95634703      0.03287570     -2.51484876
  H     -6.71997654     -2.25512338      0.01108807
  O     -1.64217159      2.23838303      2.36092923
  H     -4.54158742     -2.96596702     -0.66896707
  H     -7.39502122     -1.21624733      0.93030139
  O     -2.23607252      2.91273906     -0.24029922
  H     -5.06410476     -4.24765690      0.02650330
  H     -4.98360887      1.42952250      0.51357085
  O      1.10280682     -0.40207396      2.14346908
  H     -2.67197227     -1.82565864     -1.53091192
  H     -3.57095321      1.61885788     -0.09858160
  O      1.10087899      2.44881339      1.73192589
  H     -4.02186488     -1.45679037     -2.18863684
  H     -4.02573690      4.75689255      0.86633444
  O     -7.76114703     -0.05581701     -2.13408967
  H     -1.85735887      1.69509775     -2.99755843
  H     -3.82540881      6.08191700      0.09175695
  O     -7.44313113     -1.61685779      0.05466326
  H     -1.49961358      2.10727495     -1.56588679
  H     -4.80618359      4.28580738     -1.46349710
  O     -4.27919197      0.97691764      0.02848215
  H     -2.54525955     -0.87872606      1.97927137
  H     -4.61728702      3.31217390     -2.65377422
  O     -3.87720642      5.13670645     -0.01906186
  H     -1.54538699     -0.60557461      0.83334894
  H     -4.88183582      3.24553090      2.23185057
  O     -5.28059218      3.75640289     -2.11629243
  H      2.27852565     -1.79052780     -0.52405666
  H     -3.35540376      3.28108197      2.54316313
  O     -4.12058089      3.83303740      2.34572881
  H      1.49258925     -0.96715820      0.52611250
  H      0.54227960      1.72599946     -1.51189286
  O      1.27333087      1.66449571     -0.88457478
  H     -5.93394066     -0.74211123      2.45827634
  H      1.50186870      0.72740791     -0.84314609
          69
 Ord_Energy   -249.170563    
 O   -1.54359460       4.26427364       4.07396841    
 H   -1.84621429       5.00962734       4.62404919    
 H  -0.591866136       4.24931574       4.13017321    
 O   -4.54852867       1.92523193       2.82983041    
 H   -4.13759136       2.75013995       2.53800750    
 H   -5.14532375       1.66026032       2.11475897    
 O   -6.37299824       1.76090550      0.756546795    
 H   -5.97491980       2.48436117      0.256847113    
 H   -7.19350433       2.12038684       1.11836374    
 O   -9.29236603       4.39146948       6.31693602    
 H   -8.63510799       3.75116038       6.62741756    
 H   -9.17439079       5.18083334       6.85432386    
 O   -5.73623037       8.83529282       6.01419687    
 H   -6.52273464       8.49190521       5.56393147    
 H   -5.78241777       8.47627354       6.90561676    
 O   -3.64332271       8.56137657       4.33405638    
 H   -4.38042164       8.71643448       4.95254135    
 H   -3.27104855       9.41503239       4.13117552    
 O   -9.21665287       6.70933867       2.76448298    
 H   -9.68505192       5.91443968       3.05152059    
 H   -8.56575584       6.42593861       2.11134458    
 O   -6.78530312       2.78000569       4.23702383    
 H   -7.41741896       2.88180423       3.51457310    
 H   -5.97259378       2.44231343       3.83987093    
 O   -7.27318192       2.59947109       6.94705582    
 H   -6.38488626       2.60533404       7.31662989    
 H   -7.14183712       2.48891068       5.99294567    
 O   -3.40352893       4.37434864       1.96273398    
 H   -3.90361047       5.15122652       2.25662494    
 H   -2.65225220       4.30480433       2.56490636    
 O   -8.80666161       6.88174629       7.66895962    
 H   -7.90412903       7.01244974       7.99913931    
 H   -9.39059544       7.30731153       8.29252529    
 O   -3.20807314       2.25057983       5.27207804    
 H   -3.66157722       1.92336786       4.48445463    
 H   -2.57305384       2.89894199       4.94600630    
 O   -4.43813848       2.66997790       7.65490007    
 H   -4.00527906       2.47795510       6.80327415    
 H   -4.08579731       2.04570436       8.28351307    
 O   -8.40665722       3.30355048       2.05285287    
 H   -9.17232895       3.56606102       2.57998610    
 H   -7.96019697       4.11878014       1.78158379    
 O   -4.89479303       6.50837326       2.86469603    
 H   -4.44473267       7.29172277       3.19895864    
 H   -5.28335285       6.07167196       3.64002872    
 O   -6.14362335       5.36979914       4.98317862    
 H   -6.46691132       4.48431540       4.77143097    
 H   -6.88327169       5.99075985       5.01099110    
 O   -7.00071049       5.61668301       1.24313736    
 H   -6.48464012       5.17355824      0.558930576    
 H   -6.34231997       6.04891396       1.80547953    
 O   -7.94848967       7.50363588       5.03709936    
 H   -8.48256588       7.34357262       5.82304764    
 H   -8.47793579       7.32703543       4.24576521    
 O   -6.14233065       7.30792856       8.46918678    
 H   -5.57744694       6.60708380       8.09864902    
 H   -5.76196289       7.54789972       9.31043720    
 O   -4.63263226       5.41165209       7.24113798    
 H   -4.51787758       4.49281502       7.51445436    
 H   -5.16314125       5.39066267       6.42729616    
 O   -2.47984719       6.28258991       5.60451126    
 H   -2.80396414       7.09166288       5.19100142    
 H   -3.14509153       6.02071190       6.25358200    
 O   -10.3403406       4.30918741       3.81887960    
 H   -11.2575560       4.06414747       3.90782785    
 H   -9.96655273       4.31716442       4.71847963    
 O   -5.06297302       4.13135529     -0.264127254    
 H   -4.38799620       4.18917513      0.431856334    
 H   -4.60833359       4.25293446      -1.09430718    
          69
 Energy    -249.17056052088199     
  O     -6.46140290     -0.14686616      0.03054847
  H     -7.03113569     -0.76015253     -0.42585016
  H     -5.86973739      0.05662142      3.14717959
  O     -2.85896960      4.24766450      5.57828606
  H     -5.56007495     -0.51267274     -0.02689687
  H     -0.85946063      1.58657330      1.12467974
  O     -6.99365682      4.80178871      0.58321658
  H     -3.41972735      3.60084864      6.02642876
  H     -0.86686318      0.53859354     -0.00627090
  O     -1.89486543      0.43099692     -1.56821449
  H     -2.08322067      3.76915258      5.26235438
  H     -4.23087007      5.72464328      1.80892665
  O     -2.16283370     -1.35903585      2.00566302
  H     -7.60198724      5.04609225     -0.10976085
  H     -5.22436390      5.69923897      0.64241127
  O     -4.10229121      2.54771954      2.15413271
  H     -6.58026309      3.96468150      0.30765981
  H     -3.49018301     -0.45659478      2.86546504
  O     -4.39583521      5.00028746      3.46274039
  H     -2.37797630      1.27652021     -1.60581557
  H     -3.60248628      0.23340740      4.24306320
  O     -5.67285391      2.51682432     -0.06298352
  H     -1.62742411      0.22687883     -2.46039200
  H     -6.74487186      1.65856862      4.09247914
  O     -4.62747441      2.25479103      6.59612543
  H     -1.61192889     -0.67172471      1.60740344
  H     -6.89136543      3.18433582      4.28444404
  O     -3.28051397      2.74888771     -1.57771796
  H     -1.74876711     -1.56986033      2.85525305
  H     -1.54621119      3.87996535      0.94788371
  O     -3.91283414     -1.05958592     -0.16575891
  H     -4.27147677      3.30676219      2.72743553
  H     -2.44786191      2.91184269      1.74545174
  O     -6.77787587      0.29206902      2.90294598
  H     -4.16807051      1.73021399      2.66480949
  H     -7.20569940      4.82651447      2.41804972
  O     -0.55198060      0.69690732      0.89242272
  H     -3.87322644      4.85354280      4.26464863
  H     -7.92935558      5.44978137      3.63067602
  O     -4.32227185      5.94478860      0.86955157
  H     -5.33120355      5.03738176      3.69139453
  H     -1.97006816      1.36515054      5.18239163
  O     -4.07451192      0.08091002      3.41492979
  H     -6.04492667      1.62817840     -0.12624403
  H     -3.21390999      1.16081966      6.08975802
  O     -6.56987336      2.38373664      4.71045176
  H     -5.10301667      2.51931880      0.72409841
  H     -0.15824152      1.95897710      4.11030946
  O     -1.52396919      3.17491667      1.60388218
  H     -5.06224783      2.21420629      7.44380821
  H     -1.11280172      2.91323497      3.39017454
  O     -7.22807468      4.84983367      3.38739096
  H     -5.33191668      2.28089938      5.92371123
  H     -0.16883028     -0.79411201      4.16720697
  O     -2.51231132      0.69237941      5.61927226
  H     -4.15113885      2.69939279     -1.16300669
  H     -1.44078378     -0.80680499      5.02837463
  O     -0.88964393      2.56848092      4.26645944
  H     -2.86845397      3.55892235     -1.25415745
  H      1.84778129      0.50299268      3.13191750
  O     -0.89025627     -1.36337447      4.46223076
  H     -3.28479163     -0.59369774     -0.73007831
  H      0.49940364      0.55708757      2.38309145
  O      0.90498744      0.56588896      3.26556185
  H     -3.39386794     -1.36807477      0.58829213
  H     -1.64636188      5.80330163     -0.79732459
  O     -2.10684262      5.07067272     -0.39771395
  H     -6.81823596      0.15437770      1.95157853
  H     -2.90177143      5.43835913      0.02981064
          69
 Energy    -249.17044867242470     
  O     10.48161548      9.29876754    -12.46191147
  H     11.18532369      9.74034371    -12.95622436
  H     15.66857554      4.62478225    -16.67830398
  O     14.16097574      6.16785427    -14.23887732
  H     10.18307922      8.57181541    -13.02131709
  H     17.46420337      6.29279460    -15.80371790
  O     16.89445542     10.78634653    -11.31037225
  H     13.39618489      6.62527575    -14.61365249
  H     18.29574809      6.58799596    -14.53345994
  O     15.63691015     10.05495602    -17.54090414
  H     14.78453875      6.87200094    -13.99470770
  H     14.94801847     11.12747993    -16.10291656
  O     12.25076574      7.82055207    -15.33171778
  H     17.51286726     10.07342237    -11.11193764
  H     15.47088395     11.72341275    -14.78353031
  O     16.43797368      7.11840903     -9.36073833
  H     17.11922579     11.12442643    -12.18708552
  H     15.38748758      8.77317763    -12.97570865
  O     13.85859374      5.30977851    -11.64594088
  H     15.66569000     10.34147387    -18.44944382
  H     16.28020713      8.69470859    -14.26949648
  O     14.44793089      9.69832964    -11.75495110
  H     15.09860152      9.24310186    -17.51860339
  H     10.38262111      8.44093982     -9.41411315
  O     14.23885670      7.76650393    -17.34174898
  H     12.43994543      8.64368924    -14.85555864
  H     10.82084587      8.62843589    -10.88570903
  O     16.58138775      4.78125284    -11.05269605
  H     11.40998601      7.48716766    -14.99495414
  H     10.97195519      6.47075280    -11.04380281
  O     17.46076146      9.42337896    -15.52889521
  H     15.51286516      7.38831848     -9.43074222
  H     11.95860891      5.44551644    -11.63694071
  O     15.78761597      5.50903040    -16.33933681
  H     16.48300981      6.24402969     -9.76554765
  H     17.49785345     10.88181351    -14.53328528
  O     18.22873015      6.78375971    -15.47606665
  H     13.92274807      5.54344240    -12.58443490
  H     17.92283964     12.34479636    -14.27390486
  O     14.66596150     11.55761518    -15.28640140
  H     14.72946355      4.98162586    -11.39287737
  H     17.13764504      7.16811370    -12.94069034
  O     15.83689311      8.17619759    -13.58796969
  H     15.24242391     10.17303145    -11.46763773
  H     18.30495099      7.24811796    -11.94956898
  O     11.00064407      8.12833911    -10.06912853
  H     14.22679280      9.03124840    -11.09293735
  H     17.74633994      8.06629540    -10.04094759
  O     11.05096554      5.76743921    -11.70085269
  H     13.48063474      7.77622980    -16.74166820
  H     19.17532565      8.63779289     -9.89539592
  O     17.31597464     11.66593198    -13.98769677
  H     14.76664095      6.99331089    -17.11361449
  H     12.82175641      7.83480714     -9.91401872
  O     17.89086093      6.66207898    -12.59588825
  H     17.10265926      3.99018571    -10.94074229
  H     13.77193689      6.82726086    -10.60740822
  O     18.47440083      8.49562856    -10.52658979
  H     17.08010414      5.36338544    -11.65053407
  H     13.29990153     10.71883162    -14.42952812
  O     13.75302821      7.62057537    -10.05280465
  H     16.91960805      9.59935393    -16.31010016
  H     13.28688515     10.00430946    -13.06809126
  O     12.76451541     10.13633115    -13.87348753
  H     17.84807639      8.53999774    -15.61232602
  H     10.36552421      6.40574063    -13.18398430
  O     10.00109669      6.87833840    -13.95370304
  H     15.19997760      5.59525213    -15.56983169
  H      9.17363218      6.45668126    -14.16900411
          69
 Energy    -249.17031854300905     
  O     13.83211503     11.68275315    -10.09095704
  H     13.84241378     11.00872514    -10.78668048
  H     10.98924916     14.01466525    -11.99661974
  O     10.93085315     12.17361315    -14.29463087
  H     13.87705955     12.54490209    -10.52979331
  H     15.96478558     14.31646738    -18.64889018
  O     13.92830759      9.70811250    -12.07245385
  H     11.22160486     12.89232438    -13.71671321
  H     14.77608033     13.51049444    -18.06512781
  O     17.12722133     11.69006709    -14.07481450
  H     10.26697789     11.67097753    -13.80541903
  H     15.01384024     14.37958615    -11.23665181
  O     11.35243745     11.35930388     -9.03425628
  H     13.65054879      9.92269380    -12.97542257
  H     14.33320095     13.51490567    -12.32359170
  O     11.20536969      9.45549056    -11.17113194
  H     14.88604523      9.59602535    -12.09525191
  H     12.02428938     16.69331537    -14.82079868
  O     13.09847472     10.50952004    -14.59518585
  H     17.19958218     10.95923071    -13.45164220
  H     12.09373607     15.36544641    -14.03892180
  O     16.86681153     14.58263502    -10.99386060
  H     16.23180496     12.04160736    -13.94215250
  H     14.04637915     11.98972259    -14.19797145
  O      9.27074910     10.71762434    -12.59945775
  H     12.27573894     11.51112828     -9.30172854
  H     14.66871896     13.42058538    -14.46087836
  O     15.08072106     14.95552363    -15.30615159
  H     11.34874968     11.28798625     -8.08344141
  H     16.77168988     11.44917997    -15.89279593
  O     13.32613030     12.62914547    -18.26689890
  H     12.12267701      9.37656449    -11.45943963
  H     16.29309880     12.27641151    -17.11625910
  O     11.64857989     14.36236551    -12.61552076
  H     11.21940709      9.98467196    -10.36313149
  H     11.74190313     14.51656310    -16.11111440
  O     15.61591679     13.95321155    -17.83978431
  H     13.33371443     10.29485822    -15.50651814
  H     11.13506433     13.12583738    -15.89203564
  O     14.16215231     14.01984488    -11.50956327
  H     12.27088601     11.01196105    -14.59073022
  H     16.84050244     10.49442943    -11.32664855
  O     12.41039046     15.82056738    -14.83724392
  H     17.38987388     15.25863730    -10.57176198
  H     17.38420682      9.08738862    -11.66733587
  O     14.58395139     12.69758486    -13.82361157
  H     17.10562315     14.59244027    -11.93805583
  H     14.18799156      9.28483539    -17.69486357
  O     16.39150608     11.37859715    -16.77802808
  H      8.49562595     10.16841382    -12.67592094
  H     14.93420048     10.47397295    -17.04050442
  O     11.45411631     13.72511658    -16.57939641
  H      9.94564118     10.19200082    -12.13324453
  H     10.38252482     12.52611594    -10.21730492
  O     16.80798484      9.77750192    -11.98594231
  H     14.20968506     15.36526099    -15.23593787
  H      9.55250871     12.28323978    -11.48231932
  O     14.05616968     10.06994182    -17.17030137
  H     15.23800046     14.71375164    -16.22968247
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  H     12.60789300     13.00943598    -17.73815114
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  O     16.67691579     11.81719950    -10.19729338
  H     12.50089337     14.33131911    -12.15855934
  H     15.74479927     11.76642848     -9.94882506
          69
 Energy    -249.17024675374540     
  O      0.78660655      5.06642980      3.68446447
  H      1.63858244      5.26448293      3.27776884
  H      2.48823242      5.96396464      1.43892079
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  H      0.85089118     -1.61523017     -3.56961014
  H     -1.82261955      3.38566621      0.91158902
  O     -0.61097639      3.86562470     -3.90139730
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  H      0.39680546      6.70296309      1.04623640
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  H      1.01740608      1.42334709      3.75296826
  H      0.93883862      6.19546593     -0.29393734
  O      2.76958317      2.77011482      1.55492800
  H     -0.12993952      2.15968842      3.00160070
  H      2.76879204     -0.48751207      0.90442401
  O     -1.88053055      0.02052765     -1.91000725
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  H      3.18553032      0.88500363      1.50967946
  O     -0.61576211     -1.67104374      3.22376637
  H     -0.65948451      4.16493768     -4.80483293
  H     -1.01972393     -2.72372880      0.50747525
  O     -0.02644715      0.98828744     -0.07028346
  H     -2.12949289     -0.89154046      2.89859112
  H     -0.32542803     -4.08658230      0.75262358
  O      1.82911317      2.79573152     -1.03814735
  H     -3.63388798     -0.69025044      3.20963043
  H     -1.93761559      3.12849384     -2.76873263
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  H      3.04071391      3.68352572      1.71248230
  H     -2.42581412      3.20971010     -1.30438498
  O      3.11380088      5.51731089      2.03757641
  H      2.03810639      2.60140349      2.16600317
  H      1.59545475      2.15413683     -2.74433556
  O     -1.84534426      4.16350045      0.33682312
  H     -1.16460513     -0.22505409     -2.50674766
  H      1.04992019      0.92295397     -3.49307123
  O      1.19557292      6.67547550      0.50523901
  H     -2.16735524      0.92828102     -2.09923014
  H     -2.36352001     -1.19928068     -0.62780559
  O      3.15195707     -0.06493437      1.68211436
  H      0.18766667     -1.22716108      3.52107710
  H     -2.75289561     -1.31490265      0.86941778
  O     -0.19082942     -3.14428049      0.80443808
  H     -0.36430866     -2.22889788      2.47767487
  H     -0.49946359      5.79974337      2.75210849
  O     -2.47336187      2.67543608     -2.10544426
  H     -0.69645424      0.72830531     -0.71746937
  H     -1.63752107      6.84264731      2.65688897
  O      1.19453397      1.87159289     -3.57935679
  H      0.55383452      1.64948083     -0.47121216
  H     -0.55333416      4.67281290     -0.84024851
  O     -2.43701427     -1.81944712      0.11069496
  H      1.33859739      3.62427956     -1.13712664
  H     -0.10936135      4.75362163     -2.33098122
  O     -1.12602668      6.22607006      2.13977353
  H      2.25721332      2.81178462     -0.17193507
  H      0.98083392     -0.46027454     -0.15225917
  O      0.15953741      4.96463589     -1.42886435
  H      2.31849665     -0.54530743      4.69739975
  H      1.03746325     -1.99477533      0.02849095
  O      1.50452794     -1.24865363     -0.37050458
  H      2.28458480     -0.27563575      3.17391256
  H     -0.98824765      1.52341768      1.25829645
  O     -1.56972716      1.89167407      1.94488641
  H      3.85008735      6.11088258      2.15733003
  H     -2.16701894      1.18089077      2.20595750
          69
 Energy    -249.16988905491309     
  O     12.69248251     11.15468798    -15.70994591
  H     12.00041946     11.02647232    -15.04114574
  H     16.01113931      9.48825796    -15.07381045
  O     15.03892707      7.53421397    -12.63784505
  H     13.19479832     11.94665516    -15.48304713
  H     13.85522931     10.07658728    -14.65300276
  O     16.84525128     11.46965814    -11.02455420
  H     15.78115571      7.82367436    -12.09116305
  H     14.68328994     10.53681807    -13.43222604
  O     16.85811162     12.20385603    -15.08601560
  H     14.80295528      8.29910179    -13.18798943
  H     11.30581067     10.72400166    -12.81823991
  O     12.74191046      7.41561790    -15.82999825
  H     17.56242833     11.76287204    -11.59827942
  H     10.85295362      9.58475351    -13.75210460
  O     13.00591343     10.92602644     -8.51301773
  H     16.01750399     11.72190067    -11.46177148
  H     16.38044475      7.42327452     -7.89961158
  O     12.56743344      7.90591668    -11.50725194
  H     17.52003837     12.27246341    -14.38678497
  H     15.15800447      7.97140891     -8.67227810
  O     14.50207207     11.99752721    -12.32242800
  H     16.92511367     11.30036717    -15.41522714
  H     11.60316055      7.56109549    -14.53870390
  O     15.38432943      6.67598543    -15.27758496
  H     12.78134882      8.02014810    -16.57767238
  H     10.23986354      7.09271462    -13.97885372
  O     13.41811017      8.09069225     -8.83560022
  H     13.64267261      7.09043571    -15.69100073
  H     18.83887114     11.02266024    -13.17198647
  O     18.64433848      9.32144156    -13.45348449
  H     12.68641552     11.40803884     -7.75521570
  H     19.69295195     12.29825943    -12.96870850
  O     16.80546534      9.34075031    -15.61157807
  H     13.97789425     10.99221059     -8.49888535
  H     16.87400202      8.35136106    -10.26193966
  O     14.57941986      9.82044025    -14.07127073
  H     13.44263131      7.66528174    -11.84689280
  H     16.98659260      9.63428249    -11.11220309
  O     10.97329657     10.54235504    -13.70630542
  H     11.94359197      7.74013766    -12.22405981
  H     15.96826828      9.95820668     -8.42473731
  O     16.12564336      8.03772907     -8.58254191
  H     14.30444152     12.57011202    -13.07275538
  H     16.18472274     11.20514282     -9.30441036
  O     10.96335250      7.69194068    -13.81543582
  H     13.67814841     11.64260715    -11.95727445
  H     15.83200634      8.30140399    -18.71797608
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  H     15.33231091      6.72687633    -14.31217251
  H     14.76383237      9.19670935    -18.07274386
  O     17.08277754      8.67157774    -11.14865273
  H     16.01705498      7.35491231    -15.52803503
  H     12.45567784     10.86678267    -10.28093657
  O     15.71995678     10.88595315     -8.51934567
  H     13.15701878      8.99552246     -8.62591504
  H     12.45077235      9.73361060    -11.33392802
  O     15.71735332      9.03091638    -18.11224571
  H     13.03228103      7.89856379     -9.70068741
  H     15.27083335     12.91764700    -14.97598325
  O     12.34179005     10.68974536    -11.22341467
  H     18.08659085      9.19318829    -14.23224689
  H     14.38331652     14.18042219    -15.10433116
  O     14.36799672     13.26260284    -14.84671296
  H     18.19277729      8.90909072    -12.70612106
  H     12.83763447     10.14122786    -17.11199828
  O     12.96158503      9.48885056    -17.82418312
  H     16.52064295      9.27244871    -16.53445942
  H     12.28507778      9.66189438    -18.47397675
          69
 Energy    -249.16908739829412     
  O      3.94471197     -3.53419501     -1.57692704
  H      3.65746652     -2.81487161     -2.15159796
  H      1.86406965     -1.87450639      4.24045040
  O     -1.98271071     -2.44748915     -1.78366054
  H      4.22595149     -3.11804098     -0.74776371
  H      4.76422194     -6.60590233     -0.81815251
  O      1.80952955     -5.13066343     -2.39319107
  H     -2.68986752     -2.31357741     -2.40877524
  H      4.77053205     -5.24384723     -1.57251877
  O     -1.99444995     -4.41853872      2.75170422
  H     -1.16976390     -2.58236247     -2.30534603
  H      2.96798780     -3.93860520      3.23134587
  O      3.21106179     -0.02313900      1.80483834
  H      2.23521565     -5.81495258     -2.92433548
  H      2.83701721     -5.02980433      2.13371043
  O      2.13859635     -8.63294593     -1.30208783
  H      2.51817130     -4.59674716     -2.00507969
  H      0.89154353     -6.03713517     -1.16842109
  O      1.95125120     -6.56643009      1.78482462
  H     -2.88309055     -4.73254385      2.89832802
  H     -0.38642857     -5.98236945     -0.31894673
  O      0.31690443     -2.89157368     -3.11939884
  H     -1.83502697     -4.46133127      1.79327886
  H      0.86932435     -5.94333298      3.23211301
  O      1.70412644     -0.60000343     -0.47660102
  H      3.59986418      0.78596109      2.12627405
  H     -0.42504996     -5.14495563      3.54909937
  O      2.69921765     -1.32996252     -2.88407924
  H      2.67549630     -0.38260751      2.53436266
  H     -0.37831892     -4.00034110      0.28164385
  O      1.10939673     -3.11148412      0.72115770
  H      2.45386537     -8.29250263     -2.14926075
  H     -1.66526337     -3.79614122     -0.54458396
  O      1.64556025     -1.06998132      3.75478485
  H      1.38063617     -8.08596310     -1.05628218
  H     -0.03257700     -2.28094805      1.89654023
  O      4.98397948     -6.18300901     -1.65629530
  H      2.71683956     -7.08492104      1.50571542
  H     -1.27079743     -2.59894179      2.74688423
  O      3.19067743     -4.14834066      2.31602910
  H      1.35881370     -6.54051933      1.02012568
  H      4.60923001     -8.64357516      0.76038015
  O      0.37537574     -6.53889876     -0.51769934
  H      1.05812489     -2.27848274     -3.18128220
  H      3.39995530     -8.26939483     -0.13006843
  O      0.42062139     -5.42872555      3.91570039
  H      0.71994754     -3.75224171     -2.94048230
  H      4.00077367     -6.89343729     -2.90963149
  O     -1.25929441     -4.37420519      0.11253788
  H      0.76509708     -0.40631179     -0.33205112
  H      3.72903574     -7.44953557     -4.33063594
  O     -0.70577297     -1.87230804      2.46380331
  H      2.20584118     -0.29231042      0.28892953
  H      2.47729251     -3.88356810      5.75700883
  O      4.04794880     -7.91546993      0.50593021
  H      3.03976449     -0.57678635     -3.35920859
  H      1.49260217     -4.25824974      4.62346311
  O      3.30630758     -7.23281685     -3.50472344
  H      2.37197007     -0.99875845     -2.02785534
  H     -1.40752554     -1.06566465     -0.57722441
  O      2.17830730     -3.61943270      4.89118820
  H      1.40530150     -2.35124199      0.20586383
  H     -1.07208530     -0.80182700      0.90810406
  O     -0.98199553     -0.43637312      0.01843863
  H      1.85846483     -3.42461940      1.24231074
  H      4.25738045     -1.51063228      1.12210376
  O      4.60499673     -2.34747481      0.79545503
  H      0.74261517     -1.20010802      3.43557534
  H      4.25759865     -3.02306377      1.39677247
          69
 Energy    -249.16880837152155     
  O     14.75151828      3.22044839    -16.41969728
  H     15.58183211      3.00609033    -16.85874823
  H     20.34895747      6.06274180    -15.90636538
  O     17.70864026      5.95018719    -11.46875904
  H     14.52013096      4.11479197    -16.70866178
  H     18.77859495      7.64366144    -17.09874533
  O     20.16381530      6.55905649    -17.72460444
  H     16.92950225      6.37187496    -11.86945469
  H     17.54354651      7.33371866    -16.20731322
  O     18.13145796      5.17241327    -18.85849545
  H     18.46554521      6.41445919    -11.84263520
  H     15.85454128      5.97248146    -15.80014749
  O     13.45263860      4.82488765    -10.39290344
  H     19.49703748      6.00027962    -18.16395031
  H     16.33350533      6.45067520    -14.39677629
  O     14.63621920      3.31079498    -13.69509983
  H     20.86503074      6.69835853    -18.35506941
  H     13.11640725      6.98720635    -14.39015594
  O     15.64403240      7.05316798    -12.77519972
  H     17.36521331      5.75003321    -18.94826480
  H     13.84538316      8.29359655    -14.78692741
  O     18.21718186      3.87596793    -15.09459149
  H     17.82105710      4.34540718    -18.46856260
  H     15.28619732      2.06226304    -10.59881070
  O     13.56609800      2.15657861    -11.43981365
  H     13.39052505      3.88623012    -10.61361190
  H     16.18430992      3.07315157     -9.86118659
  O     17.83687268      9.33215575    -14.33137248
  H     14.32592201      4.94166281    -10.00096540
  H     13.94491001      6.55588483    -16.42532871
  O     17.40827663      2.81169344    -17.46770675
  H     15.54849381      3.38181401    -13.38615985
  H     14.87254250      6.42390211    -17.68423684
  O     20.25205116      5.80384919    -14.98250496
  H     14.65313551      3.19623298    -14.65657636
  H     20.40991201      7.83935564    -12.59910372
  O     17.93559500      8.00217475    -16.79372802
  H     14.80413052      6.57347229    -12.79640164
  H     19.85491010      6.88301946    -13.67587529
  O     16.63626481      6.11396301    -15.24856856
  H     15.46172031      7.96572907    -13.03015220
  H     16.99453312      2.84723873    -11.83629752
  O     13.28991686      7.58530714    -15.13049821
  H     17.66928151      4.67190179    -15.19406461
  H     17.48101255      4.26525858    -12.22765545
  O     16.19943862      2.23043248    -10.33291788
  H     17.99509707      3.51541643    -14.22532630
  H     16.43538816      5.29873554     -8.52244349
  O     14.45060923      5.93227450    -16.97020940
  H     12.89883490      1.50076959    -11.62415922
  H     16.78319908      5.33272022    -10.02445155
  O     19.59913390      7.47276733    -12.94424603
  H     13.87533222      2.48964532    -12.29978881
  H     13.68286497      4.86038105    -13.36977237
  O     17.24913640      3.39952978    -12.58881905
  H     17.95392855      9.04657728    -15.24756455
  H     13.18528147      5.50378598    -12.06008053
  O     16.17668015      4.94824911     -9.37175663
  H     18.39992708      8.75565737    -13.80164959
  H     16.11604504      9.55200178    -14.08956062
  O     13.29682100      5.67097979    -13.00800977
  H     17.75618946      1.93863718    -17.63254597
  H     14.91465156     10.39897232    -13.60923342
  O     15.15787287      9.52922036    -13.91562349
  H     17.76711219      3.10055613    -16.61027249
  H     16.74550249      7.68629311    -18.12884921
  O     16.14464338      7.29237961    -18.78317521
  H     19.68052491      5.02450450    -14.99031939
  H     15.98237113      7.95946741    -19.44568591
          69
 Energy    -249.16868511887333     
  O     -1.08591603     -0.05511780      5.29160956
  H     -0.57979255      0.76314541      5.20132245
  H     -1.67076018     -0.41630156      0.73114804
  O     -1.27133751      3.99765625      6.19734773
  H     -0.73037988     -0.66861944      4.63433357
  H      1.56255498      1.02602911      0.28218310
  O     -5.41036727     -1.29667999      1.43086321
  H     -1.08668187      4.64773356      6.86969675
  H      2.43017945      2.30317851      0.36112618
  O     -5.31700777     -1.52229083      4.19457077
  H     -1.92692781      3.38288568      6.57320237
  H      0.20000075      2.54094131      1.59584452
  O     -3.71474929     -3.14560958      5.88746935
  H     -5.56382971     -1.43564046      2.37726767
  H     -1.29871650      2.17749758      1.72639748
  O     -0.00260377     -1.55415196      3.19960908
  H     -5.45289852     -0.34493733      1.28990117
  H      0.33494599     -0.82916684     -0.18655137
  O     -2.13710294     -3.32963883      3.69887731
  H     -4.60879357     -0.87737585      4.02851295
  H      1.69859756     -1.26415878     -0.74687409
  O     -3.11560262     -0.60949524      7.07196404
  H     -4.91827409     -2.20597367      4.74627193
  H     -2.07978260      4.27702039      4.48648270
  O     -3.15968110      2.29780813      7.12477415
  H     -3.09859672     -3.24534427      5.13878721
  H     -1.81605122      3.89303213      3.01538234
  O     -5.83520040      2.74119422      6.18835746
  H     -3.80960091     -4.00911861      6.28034164
  H      2.02639641      0.84984397      2.47361345
  O     -5.81598067      0.07528454      6.45125431
  H     -0.36985860     -1.43809612      2.31414909
  H      1.59192550      1.02602002      3.93339261
  O     -1.19471130     -1.25456443      0.63383170
  H      0.78433967     -0.99088614      3.24459565
  H     -3.78481410      1.23425800      3.87901150
  O      1.74177760      1.82128661      0.81259348
  H     -1.30642495     -2.84618039      3.60530958
  H     -2.60769701      0.30816256      4.36944633
  O     -0.60634455      2.75135940      2.08297369
  H     -2.57854395     -3.27013960      2.84329438
  H     -3.65034291     -3.76090446      0.60004417
  O      1.18325933     -0.49402391     -0.51918675
  H     -3.34220263     -1.51698179      6.83068307
  H     -4.06923186     -2.38597269      1.16531788
  O     -2.48859926      4.24394709      3.61288548
  H     -2.31100881     -0.42423575      6.56375070
  H     -5.22122294      2.86131725      4.44735671
  O      1.96723400      0.38431205      3.31607634
  H     -4.06387370      2.51629944      6.86831204
  H     -4.01934427      3.37596526      3.58198133
  O     -3.35615925      0.37555768      3.76389251
  H     -3.13425364      1.34282992      7.25209222
  H     -5.99572396      2.15402589      0.65664062
  O     -3.32425410     -3.00767594      1.08589106
  H     -5.94112233      1.77732630      6.29596333
  H     -5.24549578      2.05659809      2.00187553
  O     -4.77980402      2.77258769      3.59419061
  H     -6.54408984      3.15426717      6.67328352
  H     -0.09042686      2.90862861      5.26739331
  O     -5.36878144      1.62244132      1.14060776
  H     -5.90530178     -0.46125203      5.65367061
  H     -0.01503766      2.42970412      3.79529139
  O      0.31591135      2.25208702      4.68837499
  H     -4.93323050     -0.13240460      6.78572202
  H     -2.79645647      0.67809744      2.12168604
  O     -2.61291485      1.01163961      1.22746314
  H     -1.86528849     -1.94704478      0.68188240
  H     -3.47020488      1.30070164      0.89780433
          69
 Energy    -249.16699379915428     
  O      0.87433338      0.01100459      2.64552619
  H      1.15922785      0.80272141      3.11509614
  H     -2.59626700      3.30332295      1.21147132
  O     -2.73727087      0.58388907     -3.47975362
  H      1.37156447     -0.05537018      1.81769724
  H      0.63373036      3.18208290      2.68449075
  O     -0.49109774     -1.36701495      4.61636840
  H     -1.96429280      1.00468483     -3.08140304
  H     -0.58402505      3.71734058      1.90207362
  O     -4.37073796      0.34313681     -1.25631047
  H     -2.52013329     -0.35536681     -3.53096568
  H     -3.33219624      1.56072474     -0.40323610
  O     -2.13448924     -2.21562705     -3.09579345
  H     -0.77147131     -0.58185633      5.09660867
  H     -1.87576319      1.98833947     -0.69876811
  O     -0.12226221     -1.32008865     -1.28176434
  H      0.09188580     -1.03244939      3.91879192
  H     -0.85034340      0.25669140      2.06884891
  O     -2.97999294      2.33849960      4.33131059
  H     -3.96322822      0.52964050     -2.11445159
  H     -1.94440574      0.87628826      1.12353318
  O     -4.41010827     -2.67135169      3.19376174
  H     -4.15859310     -0.58025660     -1.06468410
  H     -2.97280035     -2.45230765     -0.21229288
  O      1.16040677      2.30448480      4.27636310
  H     -2.23936200     -2.95522473     -3.68918000
  H     -4.50341739     -2.65258712     -0.34233725
  O     -0.57319054      1.41793903     -1.80017238
  H     -2.76306341     -2.35202923     -2.36679769
  H      1.96509027      0.85694942     -0.11751707
  O     -4.16461348      0.13322718      3.14764809
  H     -0.63401887     -1.66484919     -2.02349492
  H      1.44068477     -0.56634518     -0.42221194
  O     -2.46056702      3.89925869      1.96843252
  H     -0.49355654     -1.74585599     -0.49587889
  H     -1.70685288      1.67829624      5.25539011
  O      0.35208635      3.49931650      1.81850494
  H     -2.82291875      2.91108657      3.57217901
  H     -1.19162748      1.35903682      6.67665793
  O     -2.60231813      2.10050786     -0.06972749
  H     -3.53803941      1.61376009      4.01315933
  H      2.16625369      3.35750735     -0.74767687
  O     -1.76141724      0.17341583      1.75816355
  H     -3.52379029     -3.02176603      3.33725937
  H      1.12592656      2.99911048      0.33997120
  O     -3.71424774     -2.39058116     -0.83308787
  H     -4.35128297     -1.71721586      3.34196277
  H     -1.36310685     -4.29845500      3.88103199
  O      2.01876884     -0.06457118      0.16602907
  H      1.87217713      2.55709910      4.85939120
  H     -1.28316182     -2.75615008      3.93596996
  O     -0.96126509      1.29490299      5.75350696
  H      0.43945674      1.97753089      4.83905365
  H     -1.67453933     -1.46647591      1.18735080
  O      1.54302435      2.68641586     -0.48253979
  H     -0.40867888      0.48710938     -1.59133690
  H     -1.53178534     -2.92250191      1.67532949
  O     -1.69133499     -3.50547994      3.46584923
  H      0.18764461      1.91559635     -1.47563724
  H     -5.34316475     -2.87876368      1.75014546
  O     -1.55075236     -2.37947341      0.87988927
  H     -4.84317277      0.19635787      2.45867050
  H     -6.57764913     -3.47728532      1.03322328
  O     -5.83933313     -2.88714237      0.91070855
  H     -3.30529486      0.10882844      2.70012950
  H     -6.09089647     -0.94763105      0.98113584
  O     -5.96317350      0.00647031      1.04811654
  H     -2.96342045      4.68971600      1.78681984
  H     -5.57508234      0.27262819      0.20462051
          69
 Energy    -249.16682069027769     
  O     16.69876911      9.24418014    -14.92905195
  H     16.37525359      9.30819072    -14.01741438
  H     14.10001962      9.08666524    -12.89769371
  O     15.28503539      7.52112537     -8.55840837
  H     16.35586763      9.99964950    -15.41954814
  H     11.25695759      9.64109344    -10.26672184
  O     15.77008488     11.58775997    -16.11488937
  H     15.91332832      7.39169491     -9.29013980
  H     12.79826335      9.62094014    -10.13161971
  O     13.10406588      6.63470865    -10.17531826
  H     15.68534148      7.14306027     -7.77988875
  H     19.31555338      5.46755544    -13.52900946
  O     16.27693279      6.52337991    -15.03682678
  H     15.76208264     11.94494185    -16.99805428
  H     18.31740363      5.05223896    -12.44918128
  O     19.33874254      8.74629333    -14.43141077
  H     16.40090503     12.12159189    -15.59525984
  H     16.66409355      6.41512669    -11.30424299
  O     19.48154968     11.41195043    -13.42989320
  H     12.63680618      7.45978633    -10.35395929
  H     17.74785864      7.48442116    -10.99466920
  O     19.34191197      7.95953573    -11.75572050
  H     13.79442428      6.85708245     -9.53946617
  H     14.87853772     12.72985797    -12.87823349
  O     13.61493852      4.81695538    -12.10784738
  H     16.43753812      7.47706645    -15.08441464
  H     15.07479569     14.08344549    -12.15402545
  O     13.92029536     11.75159587    -13.95319941
  H     15.31456653      6.43511782    -14.96146336
  H     19.20135968      5.57605911    -16.15484694
  O     13.61440213      6.54532479    -14.40997949
  H     19.44892188      7.87301785    -14.82356334
  H     18.02039345      6.12392729    -15.32574531
  O     13.17851389      9.10616592    -13.19959000
  H     18.43227717      9.01381806    -14.65262764
  H     16.08290174      8.42527061    -11.82321868
  O     12.04636374      9.24222556    -10.62242414
  H     19.41441469     11.21562567    -12.48914374
  H     15.95236251      9.96305828    -11.78654608
  O     19.23408017      5.32705516    -12.57698712
  H     19.62143420     10.56125998    -13.86429326
  H     16.86646968     13.15580660    -13.69840251
  O     16.87029767      7.17321058    -10.73767808
  H     19.46059524      7.00537157    -11.87414740
  H     18.17818788     12.45415027    -14.13323664
  O     15.50190615     13.25119940    -12.33950890
  H     19.33804828      8.31774663    -12.65545973
  H     17.34260225     11.12576436    -10.60126279
  O     18.98906194      6.04691854    -15.35264501
  H     13.40407161      5.45312863    -11.40123710
  H     16.18764156     12.04140710    -11.15384394
  O     15.80214169      9.18772792    -12.34239262
  H     13.04401055      4.06424213    -11.97954027
  H     16.36146847      5.64272650    -13.39983031
  O     17.40597350     12.93473276    -14.46597729
  H     14.41091591     11.67186090    -14.78100774
  H     15.44840113      4.91866303    -12.38049107
  O     16.38815743     11.26742190    -10.60899452
  H     13.54234772     10.88240343    -13.77221343
  H     19.83108084     10.69529712    -10.06351497
  O     16.36208218      5.18349379    -12.54784184
  H     13.35253466      7.41899189    -14.09149552
  H     19.25498130      9.58882415    -10.97045033
  O     19.13537971     10.51127096    -10.69127521
  H     13.49086588      5.94235141    -13.66727648
  H     14.60908576      9.26128288     -8.88708085
  O     14.22881724     10.07557345     -9.24040263
  H     12.64685867      9.15585846    -12.39525863
  H     14.96504949     10.56970593     -9.62313052
          69
 Energy    -249.16679613521427     
  O     15.46380648      3.29114854    -10.57729060
  H     14.53128539      3.55042480    -10.60921004
  H     14.83223031      6.06654207    -15.58942807
  O     12.78978945      4.05871081    -10.75502230
  H     15.49339594      2.33517667    -10.70381591
  H     15.11310214      8.60102754     -8.03732974
  O     16.47241144      4.11106998    -13.08167272
  H     12.73902229      4.69847683    -11.47756355
  H     15.48221153     10.01068698     -7.51329064
  O     11.59181232      7.57900557    -10.65886045
  H     12.52828493      4.53210907     -9.95564981
  H     15.43920055      6.50922281    -10.51968780
  O     12.74836807      1.59958987    -12.18238982
  H     16.16539851      3.88826423    -12.19321950
  H     14.53850387      7.75399077    -10.82882650
  O     15.31934549      0.60471084    -11.36574881
  H     17.12297786      4.82200063    -12.99563986
  H     13.70042071      6.59491493     -7.99221147
  O     16.77472818      8.64390990    -12.51891411
  H     12.20493974      8.32496368    -10.59207211
  H     15.22418902      6.40356853     -8.14470931
  O     17.78119222      8.90113384     -9.88834039
  H     11.81756919      7.11770866    -11.47522213
  H     12.78743382      1.45746568    -15.37259513
  O     12.91570748      6.07609425    -12.73583290
  H     12.61011869      2.38878118    -11.64345799
  H     13.06936912      1.81646018    -13.89342532
  O     14.64073094     10.48586643    -12.93149168
  H     13.51972093      1.15350974    -11.81063959
  H     11.83013312      6.48252802     -9.32307866
  O     13.48990601      8.48365114    -14.30272422
  H     15.67638446     -0.24473805    -11.12289833
  H     11.31508196      5.72826042     -8.07384667
  O     15.13398166      6.93181759    -15.90649119
  H     15.64542665      0.80460300    -12.26221188
  H     18.56504967      6.20562456    -11.79039607
  O     15.43997933      9.48014923     -8.30441231
  H     16.16856760      7.97849885    -12.15521625
  H     17.84840278      7.09917658    -12.81081359
  O     14.97639856      6.98485645    -11.21977259
  H     16.21244154      9.37993653    -12.78329188
  H     13.90157482      3.72779504    -14.82825852
  O     14.55072132      6.98893348     -7.76808862
  H     17.48336211      8.96409250    -10.80622842
  H     15.06379104      4.46195330    -14.10299959
  O     13.37597302      1.95106710    -14.80805606
  H     17.02810859      9.13948590     -9.33592543
  H     16.36901927      2.32995146    -13.70037965
  O     12.06859113      5.81726167     -8.65229248
  H     13.69081067      6.37795954    -12.23056582
  H     15.21423336      1.52768001    -14.33156101
  O     18.20515417      6.21051804    -12.68578287
  H     13.25762288      5.55153013    -13.47338404
  H     17.28180949      5.71978715     -9.42118471
  O     14.26590116      4.60013175    -14.63802928
  H     14.18350671      9.81221660    -13.46969865
  H     16.15869518      4.64365605     -9.62074666
  O     16.04384719      1.43082263    -13.84794703
  H     14.51924828     11.32128229    -13.37357709
  H     18.58160004      7.36167249     -9.83915583
  O     16.35474798      5.51450582     -9.24782641
  H     14.07453126      8.05282463    -14.94427898
  H     19.77752557      6.43527468     -9.50523835
  O     18.91137649      6.44617678     -9.90295567
  H     13.08116418      7.76456760    -13.81234272
  H     14.03886612      9.89096671    -11.26714157
  O     13.72258564      9.39050884    -10.50333867
  H     16.08786159      6.88465808    -15.92192738
  H     14.28108368      9.60478222     -9.74476368
          69
 Ord_Energy   -249.166412    
 O   -7.57740641      -12.1110182       8.37164211    
 H   -6.63876867      -11.9562998       8.52949715    
 H   -7.70645332      -12.0000896       7.41937542    
 O   -6.38973665      -5.54346371       5.60446024    
 H   -6.45101213      -5.30341816       6.53821945    
 H   -5.94253540      -6.40375423       5.57510614    
 O   -5.33421183      -8.90512466       9.85353851    
 H   -6.10775614      -8.72122478       10.4094458    
 H   -4.82621908      -8.08422852       9.78442860    
 O   -4.79681587      -11.3194132       8.68081856    
 H   -4.16655922      -11.8219252       9.19134521    
 H   -4.93381310      -10.4821749       9.15592575    
 O   -10.4239388      -6.52209330       8.12661076    
 H   -10.8704472      -7.37357044       8.06289291    
 H   -10.0340757      -6.36106110       7.25655890    
 O   -8.96195507      -9.82849407       8.99289131    
 H   -8.56125736      -10.7054043       8.90507030    
 H   -8.40559864      -9.22766685       8.47362328    
 O   -7.89517260      -11.9112434       2.88130903    
 H   -7.96939707      -12.7080650       2.36340237    
 H   -6.95877218      -11.6435280       2.85634303    
 O   -6.37646866      -8.27502441       2.78026795    
 H   -6.41313219      -7.32435703       2.62234926    
 H   -7.29105663      -8.59371376       2.79026103    
 O   -5.36236000      -10.9305773       3.03276467    
 H   -5.51794672      -9.99862003       2.82892346    
 H   -5.05657959      -10.9638605       3.94790792    
 O   -4.28617668      -6.39172173       9.43417263    
 H   -3.57096791      -5.79922676       9.21721172    
 H   -5.09304857      -5.97901917       9.09019279    
 O   -5.51323700      -8.16142941       5.40038729    
 H   -5.82730627      -8.21416187       4.48679972    
 H   -5.17759848      -9.04217529       5.61670017    
 O   -5.09858036      -10.8232689       5.90285254    
 H   -4.85140657      -11.0378017       6.80990791    
 H   -6.05052328      -10.9980183       5.83518887    
 O   -7.83463669      -11.3213015       5.66397715    
 H   -7.93636942      -11.6617651       4.76735258    
 H   -8.40895653      -10.5456896       5.73026514    
 O   -8.98271465      -9.27783585       2.89119411    
 H   -9.30125809      -9.25026226       3.80576324    
 H   -8.74821281      -10.1988468       2.72388983    
 O   -9.48459816      -6.42765093       2.89229393    
 H   -8.61435223      -6.05339003       2.70697355    
 H   -9.42939854      -7.36592627       2.67222595    
 O   -6.74926281      -5.46253681       2.84708118    
 H   -6.37763214      -4.69282007       2.42294383    
 H   -6.60894489      -5.34927034       3.80143404    
 O   -6.76078510      -5.60452652       8.36835098    
 H   -6.92068338      -6.52892637       8.11832047    
 H   -7.42758608      -5.41472435       9.03910732    
 O   -8.87274361      -5.72556210       10.1985598    
 H   -9.37022972      -5.13925266       10.7621355    
 H   -9.47583675      -6.00700426       9.48621368    
 O   -7.74307013      -8.27688122       11.0241060    
 H   -8.09162521      -7.39466190       10.8497257    
 H   -8.29398060      -8.87962055       10.5066357    
 O   -7.03261566      -8.28668499       7.71725798    
 H   -6.57706070      -8.31881046       6.86702681    
 H   -6.39659405      -8.54996777       8.39868546    
 O   -9.58592224      -9.13808060       5.60689497    
 H   -10.3026209      -9.26672268       6.23935318    
 H   -9.32695866      -8.20869350       5.68316364    
 O   -11.3227148      -9.23886967       7.82369900    
 H   -12.0642910      -9.73881054       8.15297699    
 H   -10.5412407      -9.51721764       8.33574104    
 O   -9.13698864      -6.39161444       5.62675714    
 H   -9.41452503      -6.31691074       4.70166874    
 H   -8.22747517      -6.07741499       5.66787386    
          69
 Energy    -249.16582386391937     
  O     14.39855128     13.82538269    -14.12004654
  H     14.92135003     13.01578697    -14.00646994
  H     14.20432278     10.77004592    -14.30560183
  O     15.26894073      9.34301179    -17.99131537
  H     13.70005153     13.60697949    -14.74620426
  H     15.73862988     12.56065455    -17.42899306
  O     15.72252956      8.41150875    -11.94264028
  H     15.13723120      8.86006755    -18.80363462
  H     15.06320470     11.19299410    -17.71660635
  O     17.72837936     14.94925064    -12.36599877
  H     14.71559853      8.91274355    -17.31795192
  H     13.45885586     12.53823128    -16.64278559
  O     13.91658978      8.23718264    -15.86958314
  H     16.34633995      9.10098537    -11.67572205
  H     12.00329448     13.07185290    -16.65611522
  O     14.56065748      5.96602278    -11.26294363
  H     14.85187545      8.83004028    -11.92643251
  H     18.53043650     13.24707239    -12.55762512
  O     15.01875835      4.82551800    -13.69397964
  H     18.07935610     15.65599823    -11.83034151
  H     18.73321432     12.05590611    -13.52762121
  O     15.77629856     11.40627837    -13.85879951
  H     16.86454340     14.71318546    -11.98414774
  H     16.87783251      9.12429262    -16.93251473
  O     13.22141053      9.74380058    -11.81376804
  H     13.60170163      9.02495429    -15.40225406
  H     17.20105525      8.37466392    -15.62703302
  O     16.13300581      7.32397723    -14.46125019
  H     14.69952367      7.92136956    -15.39234523
  H     12.90299184      6.91293846    -14.95218415
  O     18.16246771     11.49095650    -15.25190785
  H     13.65203684      6.28945243    -11.26892003
  H     13.35622139      5.65828521    -14.18694688
  O     13.27957422     10.51750219    -14.46781404
  H     15.11011935      6.75870555    -11.34912675
  H     14.20105895     11.66412710     -9.38479071
  O     14.88532969     12.11635644    -17.50009652
  H     15.29961241      3.91584122    -13.64831254
  H     14.00116880     11.06358487    -10.78833958
  O     12.68353769     12.73227827    -16.08218440
  H     14.89460873      5.12906949    -12.77653867
  H     15.84874624     14.75718302    -14.80596225
  O     18.80371300     12.32245750    -12.60087312
  H     16.54802880     11.44043164    -14.43946357
  H     17.21836535     15.08778473    -14.20420465
  O     17.55443499      9.01931310    -16.25368128
  H     16.11512091     11.17633570    -12.98619422
  H     16.34986177     11.23917541    -10.83470332
  O     12.61474905      6.26745314    -14.29471007
  H     13.10945565     10.04610474    -12.72710366
  H     17.69488501     11.31760568    -11.66514033
  O     14.50310038     11.72674166    -10.28850127
  H     12.71224590      8.92751538    -11.72438478
  H     12.15574023      6.89285177    -12.72489978
  O     16.74537961     15.03168730    -15.04285284
  H     15.90248848      6.39862352    -14.31537325
  H     11.13661355      6.90428651    -11.56239939
  O     16.98110337     10.73603234    -11.35978384
  H     16.07100930      7.75578759    -13.59651214
  H     14.78566560     14.21703227    -12.35342328
  O     12.00173252      7.21373147    -11.81790120
  H     18.01799488     12.12325959    -15.96579424
  H     14.94148460     13.43359151    -11.03715730
  O     15.23893467     14.22571612    -11.49818351
  H     18.07705358     10.59880481    -15.62270305
  H     17.88508646     13.91998446    -17.78223647
  O     17.37778132     13.44568417    -17.12915298
  H     12.89103412     11.23056163    -14.98803509
  H     17.18608710     14.07491338    -16.40951517
          69
 Energy    -249.16547522244775     
  O     16.10833454      8.15204706    -10.63692326
  H     15.83561311      7.71117703    -11.45987385
  H     17.04862994      3.31666913    -19.09105190
  O     17.02609505      7.84818344    -15.07132413
  H     16.96826202      7.77584365    -10.41639628
  H     16.54095307      4.90315620    -17.05379317
  O     14.72391535      2.62935067    -13.46552437
  H     16.58451356      8.57202236    -15.53425970
  H     15.41917204      5.54861957    -16.19913625
  O     14.11192358      1.18149654    -15.78353793
  H     16.93038240      7.04939728    -15.60864422
  H     13.79849736      4.17431724    -13.41790649
  O     15.59203633      9.98565467    -16.16683392
  H     14.41334551      2.04072276    -14.16384961
  H     13.02266106      5.13779227    -12.48886365
  O     14.94539294     10.91274201    -13.72962519
  H     15.60055639      2.93526765    -13.74194760
  H     15.94848218      7.19168898    -13.73921054
  O     18.64632926      8.72100762    -12.93795773
  H     13.92211081      1.91210966    -16.39985988
  H     14.76793719      6.29204259    -13.20577952
  O     15.13887085      3.59262535    -10.82897411
  H     13.54932888      0.45481093    -16.03624696
  H     19.62603545      7.22590710    -10.30192725
  O     16.90605669      1.66178570    -16.32843853
  H     15.73456408     10.68417522    -16.79905470
  H     18.82190253      7.67134738    -11.54738730
  O     16.84757115     10.59505875    -11.66897325
  H     15.38940624     10.41057023    -15.31249570
  H     12.92108570      8.79109123    -12.22141762
  O     13.80061514      3.27416748    -17.48235163
  H     15.59827792     10.87639973    -13.02019946
  H     11.85694760      9.65019766    -12.92985439
  O     16.56035965      3.50871154    -18.29555204
  H     14.17695563     10.41172469    -13.42650338
  H     13.12621054      7.02725648    -10.60200904
  O     16.38056399      5.45783474    -16.28067058
  H     18.13990595      9.48335737    -12.63348508
  H     14.21214786      8.10597326    -10.44057157
  O     13.37022023      5.04341951    -13.38275578
  H     18.19627260      8.40082217    -13.73165637
  H     13.44416510      6.62301587    -16.07439883
  O     15.55360325      6.79069923    -12.95411296
  H     14.95655563      3.05593994    -11.61183618
  H     13.39835038      5.39642409    -15.14249838
  O     18.78250395      7.13281682    -10.73551035
  H     15.98310252      4.02442710    -11.01186946
  H     14.01596915      8.92189503    -15.99024028
  O     12.72999930      9.27947394    -13.03936009
  H     16.02195615      1.33331628    -16.12304066
  H     13.06799318      8.60141729    -14.81718570
  O     13.29121362      7.97390831    -10.69800172
  H     17.16777341      2.20736645    -15.57378236
  H     12.29252532      4.71404765    -10.03492061
  O     13.61851258      5.67081707    -16.04359748
  H     17.04727601     11.22487188    -10.98063089
  H     13.73557677      4.62199714    -10.57972177
  O     13.28621890      8.35088692    -15.72304587
  H     16.53755686      9.78611295    -11.22826898
  H     17.99191688      5.56584946    -11.43618642
  O     12.92535344      5.16235016    -10.59010296
  H     14.65207663      3.38456294    -17.92209825
  H     16.71694026      5.58578880    -12.29646669
  O     17.37148765      4.99095972    -11.89759684
  H     13.60204645      4.12503239    -17.06710586
  H     16.96077561      4.31413100    -14.93599339
  O     17.18622097      3.61200972    -14.30931090
  H     16.75583630      2.79329909    -17.66360937
  H     17.44988491      4.03258817    -13.48066340
          69
 Energy    -249.16544349973771     
  O     -5.35937356      2.01502913     -0.07456273
  H     -4.61477807      2.25178172     -0.64442890
  H     -3.73766968     -0.53348983      4.06280147
  O     -5.13644809      1.79228033     -3.95657557
  H     -5.25198520      2.44665326      0.78128043
  H      0.25380522      1.62086946      3.63760276
  O     -5.22241069      2.94662014      2.57484042
  H     -4.94423395      2.23782155     -4.77724472
  H      1.26402643      0.73055698      2.89444676
  O     -1.27829063     -1.83078605      2.44103650
  H     -4.51494746      2.14461499     -3.29556779
  H     -0.41351439      3.96893876      1.06143920
  O     -2.96984505     -1.15967242      0.33392994
  H     -4.38696637      3.34062780      2.87847487
  H     -1.71092590      3.13507954      0.95864465
  O     -4.86887493     -0.96575852     -3.29740081
  H     -5.92397420      3.46129476      2.96631037
  H      0.98006597      1.85302708      0.17375656
  O     -5.67883122     -0.65449861      0.51744655
  H     -1.79190299     -1.58982072      3.22048417
  H      0.88451267      0.32447584      0.43799345
  O     -2.41552014     -1.59566375     -2.37831160
  H     -1.87362481     -1.70704718      1.68801057
  H      2.16545401      3.89281593      1.30662879
  O     -3.43702272      2.64656851     -1.99944493
  H     -3.93273499     -1.10324825      0.39443639
  H      1.33721743      2.80984529      2.04251354
  O      1.17236433     -0.86501540      1.84328557
  H     -2.74877667     -1.35597736     -0.58470679
  H     -8.11951570     -1.58658284     -1.94314407
  O     -1.26486471      1.01022951     -2.29593650
  H     -4.95585386     -0.05522746     -3.60690728
  H     -7.38746340     -0.22411416     -1.87969281
  O     -2.95024082     -0.84483851      4.54575078
  H     -5.67550098     -1.15971077     -2.80591723
  H     -1.70859024      1.39469808      2.87645926
  O      1.15246355      1.60881289      3.27920826
  H     -5.55521853      0.28287290      0.29577063
  H     -1.99335717      0.73228187      4.24202035
  O     -1.37198326      4.04362870      0.97590609
  H     -6.27245086     -1.00873278     -0.15323461
  H     -5.37306880     -0.26792024      2.33469020
  O      0.60571549      1.02890806     -0.16323834
  H     -3.29827655     -1.39965466     -2.74165607
  H     -5.11732445      1.08452333      3.02916607
  O      1.36362261      3.38048077      1.25222520
  H     -2.09582887     -2.36945155     -2.83404823
  H     -2.41173573      0.53911260      0.81796070
  O     -7.27651628     -1.18429416     -1.75366339
  H     -2.64010224      2.10118289     -2.08295279
  H     -1.04739581      1.21854896      0.63076878
  O     -1.57859186      1.50002714      3.83223973
  H     -3.16619572      3.55860222     -1.82729952
  H     -6.69207423      1.68734993     -2.84078604
  O     -5.05506554      0.13015137      3.15488771
  H      1.79378033     -1.58564778      1.90034810
  H     -6.74357264      1.80682006     -1.31432847
  O     -1.90742528      1.32498127      1.06041234
  H      0.30055157     -1.23009743      2.08077422
  H     -2.31944389      4.21723206      2.62249746
  O     -7.25994601      1.51479796     -2.07897705
  H     -0.52705713      0.99911406     -1.67371020
  H     -2.39048759      3.17282670      3.74667138
  O     -2.83997326      3.95317306      3.39167516
  H     -1.56665829      0.09729776     -2.37891520
  H     -2.89677493      6.04215307     -1.04362985
  O     -2.61747284      5.14759547     -1.21971223
  H     -3.26430752     -1.25269912      5.34781672
  H     -2.13935614      4.85343708     -0.42703076
          69
 Energy    -249.16508523567910     
  O      4.30203965     -8.70017695      4.15872643
  H      3.47672418     -8.22340118      3.99080868
  H      6.66638649    -12.02350663      0.89414849
  O     -0.98541570     -4.69563406      3.42188815
  H      4.72173249     -8.25518705      4.90505901
  H      1.23512576     -3.27536950      1.71318926
  O      1.57184826     -4.61546898      4.68389061
  H     -1.81683834     -4.27177677      3.61661163
  H      0.49887898     -4.16886133      0.68883080
  O      5.42208813     -7.57728677     -1.83884033
  H     -0.57687974     -4.19642653      2.69012801
  H      5.65122740     -7.20176762      7.06563322
  O      0.65762619     -5.75889553     -0.37366214
  H      1.99758541     -4.09312064      3.98706307
  H      5.03833071     -6.23851825      6.02297530
  O      6.46760499     -8.74766622      2.35439503
  H      0.63166880     -4.62062784      4.46947654
  H      3.19528946     -4.16588048      2.19212291
  O      2.10185354     -7.13780718      3.59420636
  H      5.87952140     -7.31317801     -2.63188857
  H      3.66424989     -2.92835524      2.98344993
  O      6.79237690     -6.83851571      0.34614935
  H      5.96952009     -7.28669451     -1.08547972
  H      7.33370355     -7.53659587      3.52414344
  O      2.42342351     -9.62287133      0.40587212
  H      0.18617492     -5.87087403     -1.19616995
  H      6.91479718     -6.88030764      4.85488861
  O      3.79903748     -5.81700399      1.81619595
  H      1.51908586     -6.19407845     -0.48785407
  H     -0.61381300     -6.33422450      2.54212163
  O     -0.30759554     -9.60503856      0.92694634
  H      6.48793874     -9.63304510      1.97180869
  H      0.05414729     -6.60113533      1.17219863
  O      6.15388566    -11.25466348      1.12705561
  H      5.67497594     -8.70262464      2.90723186
  H      3.26044741     -4.67412178      5.57968742
  O      0.35749835     -3.51625904      1.38561379
  H      1.93879706     -6.33525080      4.10819680
  H      4.61875095     -4.04712291      5.20079170
  O      5.50422291     -7.08663062      6.13055264
  H      1.32601693     -7.26562032      3.03474796
  H      5.95429919     -2.12219738      4.04658388
  O      2.89007913     -3.32452449      2.56662650
  H      6.69767633     -7.54032970      1.00709158
  H      5.79117652     -3.49405774      3.34932152
  O      7.48422402     -6.76300676      4.08462551
  H      6.83679957     -6.02113447      0.85142413
  H      5.06004775     -9.40701126     -1.37415230
  O     -0.22056445     -7.02661441      1.99660539
  H      2.81591601    -10.05751400      1.17822765
  H      3.90517479    -10.13532236     -0.65434756
  O      4.20912333     -4.72980485      5.74566359
  H      1.46548846     -9.70588052      0.49239995
  H      3.86711260    -10.25071329      3.21186894
  O      5.33104080     -2.82592174      3.88831081
  H      3.64790414     -6.23688779      0.96079339
  H      4.50874393    -11.16469757      2.14634840
  O      4.79805580    -10.25836031     -1.00472753
  H      3.29296485     -6.32516944      2.46290758
  H      2.80552658     -7.99836907     -0.16742015
  O      3.66068394    -10.88311134      2.51066524
  H     -0.39409063     -8.74809260      1.37159766
  H      3.79548496     -7.20791809     -1.07770984
  O      3.01858233     -7.11672282     -0.51269419
  H     -0.81095799    -10.22540441      1.44999158
  H      5.49698649     -5.28778250      2.22110683
  O      6.35252871     -4.88396258      2.43244042
  H      5.72404051    -10.94345216      0.30997379
  H      6.81568987     -5.48745875      3.03479243
          69
 Energy    -249.16498477069695     
  O     -1.43137061      2.42730420      5.51141785
  H     -1.30356919      3.08415375      4.81666517
  H      0.03057497     -4.51764787      0.62564129
  O     -2.97243468      0.50389129      4.22142733
  H     -2.05662566      1.78491610      5.14768533
  H      0.06223635     -2.82335672      4.14486575
  O      0.99616652      1.42328500      6.16193569
  H     -2.36756810      0.28959884      3.49525789
  H     -1.23807743     -3.59766327      3.85603694
  O      3.20434599     -0.22745576      0.59324977
  H     -3.86078250      0.44265216      3.85252052
  H     -1.69825148     -0.70370149      1.46073991
  O      0.20959449      2.88876974     -0.81479681
  H      1.24932929      1.70282438      7.03771148
  H     -0.41700602     -0.16154743      2.17741142
  O     -0.45595513      0.23272195     -1.67633223
  H      0.09308473      1.75895079      6.01150722
  H     -1.70135064     -2.67825372      0.49195184
  O     -4.28554596     -2.52838144      2.33499121
  H      4.05763737     -0.63360459      0.47339541
  H     -3.11616769     -2.31141564      1.07339384
  O     -3.26896327     -0.28988668     -1.44082269
  H      2.56557786     -0.74686208      0.06885360
  H     -4.99104525      0.59772528      1.95286300
  O     -1.74695414      2.57295085      1.14381054
  H      0.99846071      2.76064477     -0.25817290
  H     -6.23525442      0.37765657      2.84364946
  O      2.34974590      2.46930977      0.79521097
  H      0.43946313      3.54143963     -1.47078683
  H      1.99646307     -0.31880916      2.00146075
  O     -2.99016625     -3.64409511      4.60288828
  H     -1.41680691      0.15904145     -1.66538302
  H      1.39240494      0.74709409      2.94986177
  O     -0.14872187     -3.60463953      0.83606404
  H     -0.24653384      1.14246607     -1.43581579
  H      0.65650909     -1.02191269     -1.04800005
  O     -0.34089128     -3.44801352      3.53212312
  H     -3.91742532     -2.89895346      3.14721489
  H      0.81537987     -2.29415750     -0.16077428
  O     -1.35687695      0.00061281      2.02410615
  H     -4.69750379     -1.68557074      2.56013632
  H      0.77485162      3.04091763      3.44844847
  O     -2.43789762     -2.05966161      0.42582056
  H     -2.99550588     -0.98658242     -0.81659794
  H      1.52577852      2.16875302      4.47944760
  O     -5.32113266      0.12769219      2.73971843
  H     -3.72956110     -0.72601060     -2.15336424
  H     -1.11059368     -1.43232642      5.74044367
  O      1.32109553     -0.17848280      2.67444792
  H     -1.14227505      2.73949088      0.40889529
  H     -2.46312229     -0.77101516      5.42831322
  O      1.30417904     -1.61841165     -0.64217431
  H     -1.60219506      1.65541780      1.42552901
  H      0.82743933     -0.43618540      5.65309196
  O      1.53877192      2.45860046      3.55799879
  H      2.23020781      2.57928435      1.74584217
  H      0.92371818     -0.97449623      4.23252379
  O     -2.05712748     -1.49728052      5.92221425
  H      2.72818459      1.58852676      0.67037585
  H     -3.51889219      1.98396327      0.77083992
  O      0.65181607     -1.22655723      5.12804345
  H     -3.29744212     -4.32656884      5.19345207
  H     -4.02315778      0.88072958     -0.17197338
  O     -4.28154958      1.42224253      0.58479344
  H     -2.71184253     -2.89404455      5.15975310
  H     -0.92422894      4.96081380      3.08741538
  O     -0.79730593      4.02891346      3.24468431
  H     -0.15708823     -3.54086879      1.80764423
  H     -1.20997504      3.55808542      2.50065630
          69
 Energy    -249.16480854074865     
  O     14.44218263     13.13890626     -8.53373866
  H     14.03011617     12.32335016     -8.87548732
  H     10.85627146     13.65821080    -14.85749100
  O     13.23070596     11.18861406    -15.67988476
  H     14.33445544     13.12641207     -7.58692053
  H     11.83748927     12.57071239    -12.69443326
  O     17.73619679     10.89708156    -11.21484276
  H     12.61035970     11.78475050    -15.24618579
  H     12.33455687     13.21777709    -11.36803739
  O     14.25656228     16.62215246    -11.94162588
  H     13.53629045     10.55119332    -15.02129159
  H     18.71979370     15.33822229    -14.74840575
  O     14.68131417      9.39922393    -14.02844142
  H     17.76401975     11.35216909    -12.07034495
  H     17.27029319     14.82712820    -14.94487282
  O     18.89651533      8.41189970    -11.88375456
  H     18.22243275     10.07116281    -11.33153952
  H     13.97585632     10.40588502    -10.14801677
  O     17.96918470      8.05969296    -14.41969150
  H     15.18771054     16.33943393    -11.88431919
  H     12.77473069     11.33329223    -10.39508638
  O     14.91995187     12.76734721    -12.60310681
  H     14.24222704     17.55950266    -11.76945404
  H     14.50731448     11.75910066    -16.68766551
  O     15.20439964      9.64386400    -11.26430406
  H     15.43638593      9.74863178    -14.52293908
  H     15.08536000     11.94649637    -18.11113435
  O     16.87129919     10.39429267    -15.52090795
  H     14.79207785      8.43962841    -14.02638279
  H     15.78387515      6.73431625    -12.89763155
  O     15.88126376     14.55892133    -15.94057903
  H     19.78130314      8.06350791    -11.81262359
  H     15.15269387      5.82365194    -13.97786390
  O     11.61228387     13.21654912    -14.47921653
  H     18.62883125      8.30577830    -12.81454768
  H     17.25040766     15.45703361    -12.64391658
  O     12.24473223     12.37471583    -11.84467156
  H     17.18314317      7.50387832    -14.35157868
  H     16.82985972     14.90253740    -11.25749853
  O     18.00311172     14.89282158    -14.30502636
  H     17.69865944      8.83631598    -14.92752922
  H     16.48828523     12.39260816    -13.36797710
  O     13.33824070     10.97536486     -9.69551383
  H     15.39229786     13.01970332    -11.79733489
  H     17.77592294     13.12397963    -13.82967834
  O     15.29191397     12.05336202    -17.18626386
  H     14.05168078     12.44467165    -12.33047001
  H     13.32222758     15.34674210    -10.85704379
  O     15.50383468      6.69720452    -13.82995421
  H     16.04570421     10.11565395    -11.20536971
  H     13.39715224     14.30116902     -9.71134313
  O     16.78260597     15.68007257    -11.83073327
  H     14.94838829      9.64809613    -12.19678164
  H     17.30175457      7.40852093    -11.34819146
  O     17.42027229     12.25637710    -13.60351703
  H     17.18584302     11.04868134    -14.87864893
  H     15.87279888      7.90943701    -11.11374873
  O     12.83570604     14.63781534    -10.42005952
  H     16.42968169     10.89458748    -16.21678667
  H     15.90551867     13.23300395     -9.62855475
  O     16.38702957      7.10801397    -11.28918629
  H     15.09299561     14.74317503    -15.41298352
  H     17.02401921     12.47940658    -10.43185777
  O     16.52967888     13.30628440    -10.36324471
  H     15.71319586     13.72989920    -16.40476363
  H     13.84273809     15.57940086    -13.44918328
  O     13.80469932     14.83037443    -14.05604743
  H     12.31690013     13.88163990    -14.39760850
  H     14.25215139     14.10391482    -13.59236058
          69
 Energy    -249.16463646501239     
  O     17.74379724      9.00204127    -14.89051319
  H     17.86749714      9.90792703    -15.19710688
  H     12.64758705     10.79558860    -10.50027680
  O     18.03249495     11.73671370    -15.38268082
  H     17.08232242      9.03387865    -14.17862749
  H     19.17189193      3.17681020    -11.53598072
  O     12.81516441      7.46569893    -11.59588361
  H     18.45163160     11.89722887    -14.51690161
  H     18.20845342      3.72109377    -12.61679144
  O     16.20489854      6.90647561    -15.86631169
  H     18.49431170     12.27564130    -16.01900918
  H     15.33667339      5.97704962    -12.39453583
  O     19.59289684      7.96826196    -13.12956158
  H     12.84275095      8.40549047    -11.38732941
  H     16.37403085      6.51813130    -11.36029773
  O     20.18915219      9.99942066    -11.41629404
  H     13.70200066      7.12410215    -11.41021810
  H     19.52055963      5.30219714    -14.84023469
  O     18.16826741      6.57174004    -11.11888656
  H     16.80299568      7.62183693    -15.60833901
  H     19.82924819      4.89488715    -13.38481848
  O     12.32758007      6.21173430    -13.95722351
  H     15.32708442      7.30846800    -15.95566884
  H     16.34005274     12.06741509    -11.17906671
  O     15.47689177     12.30999682    -14.18633593
  H     19.00442536      8.34902247    -13.79611410
  H     16.42473426     13.59455452    -10.94215019
  O     13.69928948      8.03176427    -15.69115966
  H     19.91817352      7.12953160    -13.48749043
  H     17.44467951      5.62471378    -16.12703821
  O     13.63136990     10.29424674    -13.98254304
  H     20.05617991      9.26409170    -12.03995066
  H     18.29026724      4.72961132    -17.05561004
  O     13.16257916     10.28316494    -11.11909964
  H     21.11170068      9.98655702    -11.17253339
  H     15.65259945      8.10917584    -12.55440990
  O     18.88317107      3.97880080    -11.96302158
  H     18.43339197      5.65429696    -11.26287048
  H     15.04021605      9.29370507    -13.38705350
  O     15.44898493      6.56698834    -11.63523496
  H     18.60612518      7.08592483    -11.81159503
  H     18.24233265     12.45078165    -12.36886250
  O     20.11752054      5.47387724    -14.10131552
  H     11.45279419      5.83353462    -13.97366977
  H     19.41464717     11.43770931    -12.35260262
  O     16.58523504     12.91345737    -11.59006495
  H     12.41505881      6.68314633    -13.10942355
  H     16.60666172      9.99900402    -10.14635160
  O     18.13721020      4.94375436    -16.13839751
  H     16.26986956     12.14184544    -14.70945304
  H     15.94875864      9.97264648    -11.53509524
  O     15.84667148      8.95844989    -12.97249236
  H     15.79233585     12.62970459    -13.33277254
  H     14.01232291      5.39627155    -14.03024493
  O     18.98655929     12.11809894    -12.88608154
  H     13.59257710      8.88399669    -15.24923955
  H     15.39480119      5.78431002    -14.62191197
  O     15.91614443     10.42249933    -10.67567528
  H     13.13193519      7.42146472    -15.20418696
  H     18.82692749      9.46672047    -10.16062930
  O     14.95611781      5.19794427    -13.98885334
  H     14.20450560     11.06464831    -14.12986237
  H     18.07504666      8.14423374     -9.97098767
  O     18.08162218      9.06875629     -9.69318567
  H     13.27090015     10.37718012    -13.09267672
  H     16.25488039      3.87945157    -13.87917802
  O     17.11105471      3.43416177    -13.93828823
  H     14.08798334     10.35260732    -10.83424822
  H     17.50763698      3.77316662    -14.75058197
          69
 Energy    -249.16460061349136     
  O     12.88195629      8.94128389    -10.13925975
  H     13.19379027      9.84523042    -10.00410472
  H     18.12613342      6.79174169    -14.53224335
  O     14.66294575     12.07401002    -12.48410531
  H     13.52756925      8.37018394     -9.70686982
  H     16.19908809      9.50153197    -15.52635483
  O     17.29717898     11.65819435    -13.55096625
  H     15.56629608     11.99436989    -12.81250847
  H     16.37177580     10.94935023    -15.04558769
  O     11.84532054      7.18693348    -16.49068190
  H     14.09402801     11.65142818    -13.14143456
  H     15.80454583      8.93608277    -11.83054719
  O     15.08978714      7.40746405     -8.99085287
  H     17.93187389     12.36626339    -13.63113569
  H     14.59786344      8.31760923    -12.60315087
  O     13.13280364      6.01647669    -14.23370444
  H     17.72121073     10.97248738    -13.00653623
  H     16.08291804      6.85694659    -11.63644746
  O     13.32503183     10.56895168    -14.42506111
  H     12.13982433      6.69734475    -15.71209305
  H     17.41036810      6.31211907    -11.10026241
  O     14.20955863      9.69515801    -17.83899050
  H     12.49293083      7.00718633    -17.18309288
  H     15.46137815      4.93326677    -12.09526333
  O     16.81802554      4.00795462    -14.93974151
  H     15.05903600      6.90975393     -8.17776750
  H     15.61437822      4.19929028    -13.43391518
  O     16.70170865      7.89000375    -14.98666227
  H     15.55022639      6.85098465     -9.64099876
  H     18.68910463      8.89325846    -11.86511174
  O     15.15524029      5.85805731    -16.10500957
  H     13.63749239      5.41656486    -13.66490032
  H     17.77131180      9.86426926    -11.10734043
  O     18.65586605      6.07140299    -14.16207884
  H     12.94563933      6.80815542    -13.70853544
  H     19.98555694      6.75353519    -11.36847816
  O     15.85091460     10.39906846    -15.64210532
  H     12.66319725     10.45603138    -15.11874747
  H     19.01532470      6.61960469    -12.56449155
  O     15.56026947      8.30577631    -12.51766475
  H     14.18954821     10.46337362    -14.84857401
  H     15.59459988     10.43060268     -9.96306084
  O     16.45571055      6.18608107    -11.04113364
  H     13.33351272      9.90638337    -17.49269953
  H     15.95734546      8.97592774     -9.58888827
  O     14.95772291      4.49635520    -12.79251420
  H     14.84445267     10.04303899    -17.19943637
  H     14.04067797      6.89095639    -19.29999535
  O     18.38931441      9.80830870    -11.85124011
  H     16.24978058      4.60659194    -15.45464943
  H     14.16572505      7.99744201    -18.22555969
  O     19.10490822      6.97351054    -11.66078165
  H     16.90404468      3.20687026    -15.45062011
  H     13.86232459     12.30739355     -9.44515497
  O     16.25939118      9.74206174    -10.09248980
  H     16.33606139      8.03360703    -14.09939611
  H     14.26006579     11.78847711    -10.84939360
  O     14.04037860      7.04048179    -18.35868937
  H     16.16435456      7.20909718    -15.41337464
  H     10.78387053     10.16000114    -16.84742826
  O     14.10453986     11.52043867     -9.92455800
  H     14.42267543      5.92145024    -15.47244856
  H     11.64090032      8.92417178    -16.48201790
  O     11.64934190      9.89621358    -16.54774818
  H     14.83743543      6.18921818    -16.95375970
  H     12.88059030      9.17743751    -13.32123342
  O     12.81452560      8.35772033    -12.81251592
  H     18.16780463      5.26689191    -14.37209645
  H     12.68387522      8.57441516    -11.87715225
          69
 Energy    -249.16437615050998     
  O     14.84583942     10.88481977    -17.18330821
  H     14.84820909     10.27984212    -17.93345111
  H     18.56050691      9.11100521    -17.37657259
  O     14.35473913      5.76592456    -15.83145742
  H     14.11173301     10.60566901    -16.62276254
  H     16.44218462      8.23186078    -14.95244172
  O     18.21480497      8.06143378    -12.44188125
  H     14.73663412      4.94204367    -16.15619632
  H     16.67742234      7.80696675    -16.43928746
  O     18.87405835      6.02281196    -15.46795812
  H     15.10277150      6.37419023    -15.71144572
  H     13.01966309      9.62532954    -14.65070702
  O     17.75717235      5.41458792    -17.97967311
  H     17.55820117      8.65929113    -12.83785921
  H     11.88323184     10.32681361    -15.42204660
  O     14.20392943      9.37180754    -10.36291090
  H     18.98312207      8.11610577    -13.01760783
  H     15.96609769      5.05557554     -8.84621849
  O     14.10637384      6.35529933    -13.13610420
  H     18.00965373      6.46194825    -15.41227535
  H     15.06851975      5.91747924     -9.76865667
  O     16.39091646      9.57587638    -13.72875081
  H     19.50956529      6.67511594    -15.15837676
  H     13.43149019      6.95487170    -16.88780698
  O     17.40438068      3.92758197    -14.37486457
  H     17.09002087      4.77975866    -17.69428077
  H     12.87816248      8.39212434    -16.74488377
  O     13.54589114      6.55905381    -10.37413434
  H     18.34298904      5.52193978    -17.21697361
  H     19.83805581      8.86198764    -15.33449504
  O     15.92991086      3.58860764    -16.62991670
  H     15.13378337      9.10288184    -10.25394898
  H     21.08507757      8.66533969    -14.44930556
  O     19.19539148      9.65849200    -16.88320569
  H     14.03429741     10.03997792     -9.70427340
  H     16.54359411      5.56253713    -11.35055438
  O     16.48587774      7.47685577    -15.55157254
  H     14.00163605      6.03608726    -14.04128788
  H     17.27251866      6.46107601    -12.38594031
  O     12.70762505      9.86007759    -15.53942049
  H     15.01473352      6.14034446    -12.87767019
  H     16.60015009      7.49605288     -9.74266278
  O     15.99140429      5.68179200     -9.56406039
  H     16.60015344     10.30265538    -14.33514326
  H     17.36937656      8.36505699    -10.75605956
  O     13.10583890      7.71314870    -17.39160880
  H     15.44891339      9.57626862    -13.52726593
  H     14.18192398      8.34898306    -18.58368087
  O     20.18366309      8.37505352    -14.56975468
  H     17.08610188      4.39375653    -13.59124699
  H     14.43412928      8.81935103    -20.03675087
  O     16.68808637      5.69570951    -12.29565986
  H     18.10239990      4.49765092    -14.72624475
  H     13.78029233      9.31667996    -12.16028412
  O     16.73218203      8.40774186    -10.03211862
  H     13.54500275      6.38516747    -11.32561790
  H     13.81510984      8.13063907    -13.15658691
  O     14.82406469      8.79305980    -19.16743405
  H     13.60385019      7.51832370    -10.28513621
  H     17.83911417     10.86869609    -16.11179174
  O     13.71217611      9.09312253    -13.09732826
  H     16.43492295      3.62897738    -15.79705931
  H     16.34216285     11.24623512    -16.26395840
  O     17.10716222     11.31058717    -15.67005688
  H     15.80323261      2.66476670    -16.82807469
  H     17.46071782      7.16029430    -18.23950677
  O     17.31906392      8.11541312    -18.14258448
  H     19.72586683     10.10781230    -17.53765252
  H     16.49845749      8.35049181    -18.59394445
          69
 Energy    -249.16424606649787     
  O     10.95233206      8.82074889     -8.68009456
  H     10.75700903      9.50183777     -9.34610455
  H     13.34667277     12.26452070    -13.65291051
  O     13.63546632      9.55572080    -16.97125952
  H     10.13457874      8.64692897     -8.21977686
  H     15.70117598      7.96830184    -13.41766769
  O     11.98108919      7.22480649    -10.90441134
  H     13.14520345     10.38288628    -16.81374816
  H     16.68934794      6.81265237    -13.19109314
  O     14.48215271      8.86699170    -14.39817163
  H     14.01609154      9.62428266    -17.84251665
  H     12.29351861     15.54233958    -11.75238001
  O     12.11477156     11.74491676    -16.44505225
  H     12.93465359      7.29305261    -10.74988801
  H     12.13674313     14.18125625    -11.03705720
  O     11.95350066      8.37558756    -13.41009754
  H     11.56927125      7.62789235    -10.13316650
  H     15.12587838      7.93269975     -9.70316345
  O     15.74580602      8.38260015     -8.01865544
  H     14.31687297      9.06223536    -15.32886385
  H     15.29816258      7.72720575    -11.24981008
  O     13.50935884     10.40755326    -10.86180078
  H     13.62319364      8.65100429    -14.00210214
  H     16.86183236     11.57084100    -10.72092036
  O     13.41249915      9.64027963     -7.43351187
  H     11.20752217     11.41906775    -16.39522377
  H     17.84006493     12.24227437    -11.70956603
  O     15.06247336     14.00433052    -10.41237768
  H     12.27262784     12.22090892    -15.61904439
  H     11.17606502     11.50800910    -13.52058172
  O     10.79213915     10.70017903    -10.65394977
  H     11.46472056      9.20467580    -13.33166269
  H     10.04973273     10.70796296    -14.22674672
  O     12.50686885     12.71731584    -13.82466323
  H     11.88957745      7.91563011    -12.56116904
  H     13.82230013     11.48550316     -9.47333365
  O     16.27115641      7.54973510    -12.75253720
  H     16.07739047      7.87962828     -7.28016953
  H     14.38645050     12.89121675     -9.17011981
  O     12.58140558     14.63304091    -11.77618596
  H     14.90541699      8.78514101     -7.73176410
  H     15.60587244     11.52129456    -12.72624581
  O     14.65629928      7.88953123    -10.54457285
  H     13.90535675     10.77071181    -11.66315604
  H     14.82307633     10.48071137    -13.62026213
  O     16.91704444     12.04954813    -11.56675297
  H     13.88154686      9.52498250    -10.73193463
  H     10.10757740      9.54757988    -16.11324766
  O     10.50915717     10.81841954    -13.38602548
  H     12.57487389      9.34472704     -7.81168088
  H      8.79756297     10.27941143    -16.49532994
  O     13.99361029     12.11093028     -8.74845923
  H     13.51493603     10.56953285     -7.67375376
  H     15.81310251     11.36432148     -8.80680128
  O     14.76639347     11.33182591    -13.16497983
  H     14.34533814     14.25516909    -11.00711730
  H     16.48316023      9.98859196     -8.78061995
  O      9.61806396     10.38519967    -16.02239476
  H     15.69516279     13.49251353    -10.92904283
  H     11.07724989     12.42711041     -9.99447970
  O     16.58726006     10.88347344     -9.12339718
  H     11.75136450     10.56884998    -10.74240650
  H     12.24634166     12.96011402     -9.15516734
  O     11.49946974     13.24358599     -9.69497984
  H     10.45331544     10.73501364    -11.55734034
  H     12.05012667      8.50213295    -16.52026325
  O     11.22840679      8.19731200    -16.11718413
  H     12.47088943     13.45695219    -13.20651789
  H     11.43373760      8.05630515    -15.18178490
          69
 Energy    -249.16411969630533     
  O     -7.12687117     -1.18429232      6.92726218
  H     -6.89951171     -1.93125309      6.36177574
  H     -3.15561458      2.20770806      1.59291257
  O     -8.83156084     -1.60569773      3.91530974
  H     -6.36285627     -0.59357747      6.92701881
  H     -6.15488537      0.30746807      3.70224584
  O     -6.92656184     -3.29699002      4.94277817
  H     -9.32389308     -1.24611053      4.66253831
  H     -7.48596523      1.06499433      4.03938932
  O     -5.22634397      0.39592596     -0.06375236
  H     -8.18693755     -0.91977811      3.67319090
  H     -4.61254262      0.31471878      5.80498565
  O     -6.05528201      2.97863969      5.73849196
  H     -7.66297745     -2.79875176      4.54920638
  H     -4.09132430      0.52779018      7.24660780
  O     -6.04197678      5.04686806     -0.59239991
  H     -7.25085437     -4.17780603      5.11530054
  H     -2.82760491      4.28571457      0.89722128
  O    -10.09383552      0.86544129      0.67139979
  H     -5.41788248     -0.54283349      0.03476627
  H     -1.40456274      3.82476349      0.49472287
  O     -9.61883746     -0.31686080      6.30499550
  H     -6.05273199      0.84413672      0.18157980
  H     -9.18754424      3.48178627      2.39969590
  O     -4.36685850     -0.03627105      4.12189850
  H     -6.99681074      2.77174994      5.65229267
  H    -10.09104655      2.24825760      2.17763563
  O     -4.46812037      2.89536225     -1.20466792
  H     -5.65620079      2.22052245      6.17904284
  H     -5.41280386     -2.40784844      2.19713487
  O     -6.29057031     -2.19828452      0.51641670
  H     -5.53389479      4.26228938     -0.86505662
  H     -5.58788689     -2.85059716      3.67359285
  O     -3.79887611      1.62583956      2.01539933
  H     -6.18971528      5.56381750     -1.37995881
  H     -9.43483486     -0.94183254      0.90104134
  O     -7.06719964      0.44631698      3.42373445
  H     -9.15084774      1.10528310      0.63974170
  H     -9.03536654     -1.83246455      2.08294516
  O     -4.88382583      0.52887303      6.71555938
  H    -10.47848662      1.16335799     -0.15009188
  H     -9.08259204      1.33748340      5.54999958
  O     -2.30610815      3.52739027      0.57661287
  H     -8.73961807     -0.60506005      6.61393451
  H     -9.14464325      2.38514154      4.38238360
  O     -9.85009410      2.91975349      2.82432888
  H    -10.21999175     -0.42668838      7.03642486
  H     -4.45165989      4.99623370      2.18559306
  O     -4.96555224     -2.45410761      3.05101329
  H     -4.45467939     -0.92738834      3.74888435
  H     -4.70105496      5.49967154      0.75332243
  O     -8.92459088     -1.72759053      1.12831262
  H     -4.01294623      0.54389359      3.43447247
  H     -5.53794311      3.52423233      4.12918662
  O     -8.59805811      2.04303900      5.10640821
  H     -3.64290875      3.07286395     -0.73554112
  H     -4.87404464      2.95776817      2.83422277
  O     -4.02425525      5.43916916      1.43814098
  H     -4.69420341      1.97972520     -0.99960496
  H     -7.33331574      1.09493403      1.79629010
  O     -5.34973826      3.71445426      3.19872800
  H     -7.22873651     -2.01557409      0.69736518
  H     -7.48204760      2.47537845      1.09469040
  O     -7.46823068      1.52227186      0.93530717
  H     -6.27344871     -2.93974799     -0.08451388
  H     -6.84719531      4.08167573      2.25795461
  O     -7.56606444      4.18165833      1.61399125
  H     -4.25222175      1.15146437      1.30421978
  H     -7.17491514      4.59446802      0.83358886
          69
 Energy    -249.16397283907895     
  O     -2.26190719      6.31942804     -1.21849199
  H     -2.65804577      5.45923918     -1.45532791
  H     -2.13263149      1.17294398      3.07053352
  O      1.28702953      2.00580024      5.42487545
  H     -2.55517856      6.94582549     -1.87372314
  H     -2.81393945      3.18033764     -2.19526685
  O     -0.88161647      2.72448313      0.20206972
  H      1.48414422      2.45416148      6.24383202
  H     -3.82108596      3.54196129     -1.07561783
  O      1.22452503      1.61977448     -2.45600852
  H      1.06510156      2.69464098      4.77736089
  H     -2.99984632     -0.28914428     -0.15327311
  O     -0.42760766     -1.09952332      1.47627779
  H     -0.18695535      2.05468274      0.23446187
  H     -1.57628098     -0.85184186     -0.11885110
  O      0.61399804      3.78482260      3.41685118
  H     -1.38776753      2.53505031     -0.59750666
  H     -3.61416666      5.28116316      2.28304660
  O      2.43275762      3.74115398     -0.81686706
  H      1.72758156      1.05748520     -3.04063060
  H     -4.77086194      4.90875470      3.24283421
  O     -2.53866309      6.46332655      1.61795401
  H      1.22045121      1.18178509     -1.58628522
  H     -1.64291374      2.85205311      1.78268594
  O      2.91042843      0.52008877      3.60638273
  H     -1.07576803     -0.64835880      2.03511914
  H     -2.67537765      3.44306182      2.79497089
  O     -0.36270803     -0.34899770      5.08026093
  H      0.22295937     -1.48393458      2.07804501
  H     -0.72779694      1.70416401     -2.52105010
  O      0.12789401      5.25095927     -0.27015868
  H     -0.27490726      3.44060256      3.23871644
  H     -1.87840820      0.88764208     -1.85773157
  O     -2.25061168      0.21706738      3.17503590
  H      0.59471125      4.71230551      3.15301607
  H     -4.94274207     -0.47277215      1.49395621
  O     -3.28806575      3.91847149     -1.79238351
  H      2.11856234      3.12466082     -1.48834727
  H     -3.60113017      0.09147518      2.01057973
  O     -2.23265987     -0.46786044     -0.71106417
  H      1.74020659      4.41094441     -0.74060795
  H     -4.51210628      1.92218088      0.68292734
  O     -4.12844072      4.53693564      2.64508358
  H     -1.62762372      6.48519839      1.93048720
  H     -4.54137902      3.39173059      1.16186001
  O     -1.88500592      2.89481614      2.72197110
  H     -2.49684910      6.47270548      0.65256033
  H      1.87908491      3.00357518      2.22682669
  O     -1.66797827      1.72052775     -2.30893392
  H      2.47918893      0.98796368      4.33268596
  H      2.61126607      3.00830543      0.84517924
  O     -4.23117015      0.12326165      1.27168407
  H      2.97155011      1.16708671      2.89164605
  H      0.61829463      0.04401965      0.59925560
  O     -4.59197247      2.83324413      0.37751127
  H      0.25131801     -0.94101901      4.62836698
  H      1.65766255      1.21852431      0.72836783
  O      2.50429774      2.51774404      1.67403663
  H      0.14191705      0.44888912      5.27986749
  H      2.05076331     -2.53956765      3.59428266
  O      1.09820269      0.72638976      0.11211239
  H     -0.20461116      4.35861878     -0.08432684
  H      2.07155591     -1.00134069      3.42936731
  O      1.49651716     -1.78729384      3.40531893
  H     -0.58883618      5.71019590     -0.72564430
  H      0.34025195      5.97806641      1.31979758
  O      0.31775502      6.32304579      2.22988420
  H     -1.71474160     -0.04228154      3.93811530
  H      0.86681527      7.10338758      2.24139051
          69
 Energy    -249.16366156020928     
  O     11.92301446     10.59038345    -15.35153444
  H     12.53540266     11.32234072    -15.48846923
  H     14.24642296      5.44512387    -15.38360637
  O     15.45656367      6.36923741    -12.63970325
  H     12.34578681      9.81555361    -15.74853958
  H     18.15594934      9.59960590    -12.40790597
  O     17.61832833     11.38717051    -12.79009225
  H     16.24058754      6.39325468    -12.07985928
  H     18.38079734      8.41701770    -13.35943782
  O     18.47331908     11.11874088    -15.39611717
  H     14.71905708      6.64922046    -12.07922438
  H     15.90198640     10.52832057    -17.33095430
  O     12.38492965      5.87248374    -15.35559554
  H     17.71031585     11.67145543    -11.86949559
  H     16.88959758     11.33615801    -16.44484527
  O     15.34073947     10.36931509     -9.47544290
  H     16.66610582     11.36092576    -12.96547763
  H     15.34855846      7.87758702    -13.69335094
  O     13.55696107      7.44368810    -10.93150704
  H     19.26020365     11.63103469    -15.56472245
  H     16.27389396      8.60725509    -14.68079710
  O     14.93051304     11.14044289    -13.37017603
  H     18.23590249     11.27274662    -14.46540665
  H     11.26292235     10.13949431    -13.83128067
  O     16.95713208      6.54736006    -17.01092584
  H     11.66644538      5.31019814    -15.63210646
  H     10.04023769     10.15492773    -12.88288756
  O     15.62294178      7.53165086     -8.99662180
  H     12.12235563      6.25990368    -14.50109134
  H     11.35029610      7.97686391    -13.05142493
  O     18.04471949      8.34093018    -15.16280264
  H     14.55422670     10.40034965    -10.03453430
  H     12.23799070      7.03099486    -12.22937975
  O     15.20254909      5.37663920    -15.27341063
  H     15.46296310      9.44210958     -9.24350081
  H     18.33098061      6.13968753    -10.67896482
  O     18.39959446      8.66681364    -12.42558113
  H     14.12522000      7.37754313    -10.15529053
  H     17.91902631      7.48500075    -11.32339143
  O     16.04093562     11.38333986    -16.89725873
  H     13.46281419      8.39175278    -11.11122240
  H     16.74795058     11.38695157     -9.85638076
  O     15.38303242      8.62036375    -14.30879957
  H     15.05076957     10.24952081    -13.73689360
  H     17.62847854     12.57044691     -9.42441853
  O     10.93268819      9.83079292    -12.96754710
  H     14.57930803     11.69697008    -14.07559214
  H     14.66089904      8.70543605    -17.50421714
  O     11.68932836      7.07348520    -13.02200965
  H     17.30786987      5.86258259    -17.57407734
  H     16.03687205      8.07679575    -17.74285632
  O     17.59890683      6.74245639    -10.77662411
  H     16.32327848      6.11524006    -16.41079326
  H     12.39151549     10.13474391    -11.83186459
  O     17.52008385     11.91976365    -10.11248799
  H     15.78716203      7.15229447     -8.13668671
  H     13.85358732     10.57576194    -12.05892297
  O     15.51738355      8.86777715    -17.92384377
  H     16.35696798      7.25811447     -9.57029110
  H     14.70774253     12.13746533    -16.13872220
  O     13.25915799     10.16952397    -11.41038922
  H     17.81672410      7.76826560    -15.90584210
  H     13.92519495     13.44512197    -15.86854527
  O     13.98486448     12.52901224    -15.61341546
  H     18.26682393      9.22404622    -15.48448369
  H     14.06479672      8.45425028    -15.55419283
  O     13.35746285      8.37065012    -16.21234377
  H     15.36209480      5.58226963    -14.34277148
  H     12.95149972      7.50944128    -16.06078014
          69
 Energy    -249.16353400852250     
  O     12.77429466      9.10549795    -16.32150174
  H     12.53683927      8.93862583    -15.39182537
  H     20.35280913      7.69000305    -12.78158334
  O     16.94799028      6.06247052    -12.75955657
  H     11.96279183      9.29407602    -16.78489497
  H     16.28960709      9.95164463    -17.56837309
  O     20.19573752     10.67464735    -12.71507289
  H     16.86551696      6.77934713    -13.40882283
  H     17.80091647      9.78823731    -17.85015269
  O     19.43112648     10.27190063    -17.05150584
  H     16.96257752      5.24737483    -13.27358557
  H     17.58527829      7.96655361    -15.10047643
  O     14.18132623      4.95518310    -14.68345523
  H     20.55553948      9.82133566    -12.98526775
  H     16.04957050      7.70209428    -15.30470704
  O     15.85441824      9.01029225     -9.48918290
  H     19.49865033     10.47654259    -12.07674037
  H     12.32604308      7.68026968    -13.38885162
  O     14.86950812      7.12934335    -11.30789855
  H     20.10930652     10.78880508    -17.47680801
  H     12.76887586      9.12834795    -13.09979977
  O     16.18584531     10.47690841    -13.69216945
  H     19.13347601     10.78217208    -16.27533372
  H     13.23482133      5.55495420    -13.38437431
  O     17.97439698      5.50851198    -16.66210920
  H     15.03292394      4.50555652    -14.65160122
  H     12.03212164      5.34369448    -12.43220620
  O     19.29043809      7.80713465    -15.72703407
  H     14.29111580      5.66408797    -15.33390005
  H     19.24001781     11.33581150    -14.10365465
  O     16.88094629      4.00546673    -14.67512210
  H     15.95842260      8.72000198     -8.58587435
  H     17.74080251     11.35868394    -14.46115954
  O     20.96060529      7.98281426    -13.48540272
  H     15.51945070      8.24452468     -9.98265384
  H     18.69408700      8.21443195    -11.45113892
  O     16.93010792      9.46641541    -18.10838587
  H     14.07967007      6.68275737    -11.63822882
  H     18.42848923      6.77716081    -11.93704022
  O     16.71650123      8.01124880    -14.67772558
  H     15.62270889      6.70697248    -11.74569287
  H     17.17888816      9.66651230    -10.63669403
  O     12.26673237      8.58502522    -13.71959357
  H     15.39940500     10.37246618    -13.14245886
  H     17.29232108     10.11308438    -12.11612248
  O     12.71832821      5.96311908    -12.66476395
  H     16.39070217      9.59857633    -14.05720893
  H     16.61240829      7.83823805    -18.46983111
  O     18.61753221     11.52686023    -14.82146196
  H     18.56047856      6.22106467    -16.37307147
  H     16.29030764      6.75887575    -19.53378430
  O     19.12533551      7.36542129    -11.61769038
  H     17.45636246      5.87876153    -17.38652400
  H     14.25434076     10.13263684    -11.06797150
  O     17.80910628      9.85199921    -11.34483701
  H     19.41503509      8.61221147    -16.24642929
  H     14.41566021      8.82292630    -11.83310752
  O     16.37656681      6.89904853    -18.59541449
  H     19.90970668      7.84571040    -14.98630137
  H     15.41359360     10.80542839    -15.50104739
  O     14.13168078      9.74603406    -11.93562357
  H     17.23292595      3.12230538    -14.74421050
  H     14.26969137     10.26995921    -16.38230354
  O     15.12000950     10.72566580    -16.41429362
  H     17.27378523      4.51847075    -15.40438324
  H     14.02572192      7.75833025    -16.48548524
  O     14.69614657      7.07040931    -16.38929589
  H     21.81919730      7.62591912    -13.27464111
  H     15.16253341      6.97534921    -17.22995931
          69
 Energy    -249.16305822878849     
  O     -6.57829325      2.09215995      0.05698482
  H     -5.72106295      2.51677881     -0.09990071
  H      0.25966416      1.22651828      3.98975826
  O     -6.70342938      2.65091897      2.81037705
  H     -6.81175644      2.31485866      0.96576155
  H     -0.97680918      3.76362593     -1.28251490
  O     -1.72945349     -1.48951062      2.98123645
  H     -7.35267863      3.07601566      3.36433105
  H     -0.30969529      3.32619467      0.03481651
  O     -3.18852210     -1.26267873      0.61524015
  H     -5.88706799      3.17711212      2.88333457
  H     -3.56564350      2.46009643      0.21811245
  O     -3.97063126     -0.70014431     -3.15584423
  H     -2.38679351     -1.25488226      3.64722235
  H     -3.77416221      3.96826395     -0.02387789
  O     -5.86732670     -0.61344138      0.20314987
  H     -2.21979406     -1.56285570      2.15096539
  H     -0.93849988      1.57081120      0.90427039
  O     -1.73044621     -1.68141132     -1.74720585
  H     -4.12535870     -1.11999468      0.42186390
  H      0.40139510      1.02434011      1.42183818
  O     -4.06387983      2.13039543     -2.88319820
  H     -2.73320994     -1.46296791     -0.21236277
  H     -5.57587516     -1.18390659     -2.74407706
  O      0.64234153     -0.19360271      2.87420787
  H     -3.89567761      0.25964163     -3.07536173
  H     -6.84673679     -2.03699831     -2.98094134
  O     -0.29418415      0.58584125     -1.82773682
  H     -3.18489188     -1.07512437     -2.74184416
  H     -3.11874661      1.12198423      4.36087819
  O     -3.81549433     -0.56428124      4.68878548
  H     -6.16162082     -1.00270663     -0.62960049
  H     -1.83787362      2.00726288      4.24625045
  O     -0.05875961      1.98400513      4.50317375
  H     -6.09619220      0.32548484      0.14555524
  H     -5.92887861     -0.40934625      2.09924405
  O     -0.73979468      4.07381279     -0.40019042
  H     -1.18175443     -2.41692049     -2.00517631
  H     -6.17788735      0.83290774      2.98410462
  O     -4.05210951      3.09792317     -0.32794850
  H     -1.17454800     -0.88229727     -1.79682881
  H     -2.74961704      1.53922771      2.20545750
  O      0.02066856      1.60729242      0.75670588
  H     -4.01130642      2.48978939     -1.98384958
  H     -2.85930411      0.44896955      1.08104781
  O     -6.48705061     -1.34392153     -2.43486265
  H     -5.00902071      1.99562432     -3.04164690
  H     -2.74467684      6.21290264      0.80496305
  O     -2.76901409      1.94234502      3.99154229
  H      1.33711524     -0.83838101      2.97577960
  H     -2.01981188      4.88370768      0.49987473
  O     -5.85927164     -0.07820910      3.00267540
  H     -0.19981266     -0.68342214      2.91132665
  H     -6.90416817      1.80465735     -1.81811518
  O     -2.67081156      1.38044674      1.25584369
  H     -0.06114677      0.90502733     -0.94547237
  H     -6.83483816      0.56954683     -2.72505458
  O     -2.81195148      5.26814722      0.91630186
  H     -0.62762281      1.35248265     -2.30836893
  H     -3.78063689      3.36730759      3.47443886
  O     -6.77085156      1.53190396     -2.73576181
  H     -4.57576837     -0.44913231      4.08923815
  H     -3.82993150      4.46989627      2.39131939
  O     -4.36489835      4.01075664      3.04734177
  H     -4.15485800     -0.94535802      5.49382448
  H     -2.36958790      2.66192543     -3.06558254
  O     -1.43717722      2.92555916     -2.99317157
  H      0.56049844      2.69181699      4.33693528
  H     -1.20122473      3.31611149     -3.83145126
          69
 Energy    -249.16289120692431     
  O     16.45035514      9.73118388    -11.58018751
  H     16.53070823     10.68620492    -11.47561133
  H     13.07627928      9.28372939     -9.61259819
  O     15.22070310      4.52954003     -7.13345462
  H     17.31917712      9.36424866    -11.79836675
  H     13.05687994      8.64559578     -7.28085946
  O     16.70882319     12.43528895    -10.97567529
  H     15.56270260      4.87998074     -7.97479767
  H     12.31462147      8.46781353     -5.93691483
  O     12.71466158      5.61144091     -7.94088950
  H     15.63047462      3.67904931     -7.00032775
  H     17.15845479      3.70646778    -13.32689999
  O     14.91697564      7.95813276    -13.00568156
  H     17.52440740     12.28095075    -10.46354838
  H     16.27284988      4.74589555    -12.60661993
  O     18.80491944      8.37250977    -12.06340086
  H     16.82120859     13.25937692    -11.44048052
  H     15.51372932      5.48430127    -10.30359467
  O     20.53213605      9.62938174    -10.19771983
  H     13.47985193      5.12422713     -7.61224171
  H     15.87984900      6.64116592     -9.34798166
  O     18.44422053      5.91214810    -10.71525175
  H     12.69529850      6.43454657     -7.43709315
  H     17.90863713      7.63459121    -13.66458741
  O     12.25147126      5.59109569    -10.60906135
  H     15.60267053      7.68425221    -13.63139463
  H     17.35438346      6.22507454    -13.91883874
  O     15.09407302     11.68939441     -8.71185886
  H     15.33976248      8.66080455    -12.48998335
  H     17.57100730     11.45051891     -6.19752231
  O     12.74169424      8.39034616    -11.14983857
  H     19.47951778      8.86209015    -11.57729979
  H     17.49483841     10.13495484     -7.00234198
  O     13.36408038      9.55496680     -8.72789231
  H     18.68252345      7.53898465    -11.58628984
  H     16.08950775      8.87152382    -10.07191219
  O     12.95317295      8.05594723     -6.51345182
  H     21.48444983      9.68076382    -10.19311591
  H     14.95984886      8.72030322     -9.02490119
  O     17.17909823      4.56206698    -12.90497009
  H     20.28694132      8.90084870     -9.59841408
  H     19.44101043     11.07800905     -9.69570628
  O     15.97603172      5.68477441     -9.47973406
  H     18.26515809      5.36466229    -11.48882623
  H     18.45736331     11.55896126     -8.59528067
  O     17.28889217      7.14050069    -14.21585055
  H     17.64491421      5.82936315    -10.17519251
  H     14.66681081      7.41804908     -5.91125904
  O     17.43738070     11.10181457     -7.07562056
  H     11.38683274      5.21432634    -10.75073087
  H     15.45763144      6.11166463     -6.07360691
  O     15.82434242      8.37889177     -9.28413606
  H     12.40374956      5.58530695     -9.64725229
  H     13.82188929      5.32870767    -11.56215152
  O     18.83132551     11.78639036     -9.45632740
  H     15.82011687     11.51608306     -8.10060247
  H     14.76964767      6.30459073    -12.30291552
  O     15.52479068      7.01259683     -5.73429425
  H     15.50923096     12.03462323     -9.51081870
  H     18.98651457      7.75150392     -8.05456291
  O     14.70708322      5.40672047    -11.94052693
  H     13.35209539      8.33951470    -11.89461673
  H     19.36093850      6.86846050     -9.27918196
  O     19.69095012      7.55405346     -8.68649219
  H     12.48360393      7.47853754    -10.96825209
  H     16.91455229      7.88420682     -6.49466100
  O     17.47319288      8.35951045     -7.12588315
  H     13.85396565     10.38994799     -8.77614027
  H     16.94587006      8.40973671     -7.93922615
          69
 Energy    -249.16288147161373     
  O     14.38650493     13.88883524    -13.97812519
  H     13.66476748     13.71589539    -14.59427199
  H     14.25728895     10.75671986    -14.32679417
  O     15.29945178      9.24370451    -17.56301056
  H     15.18909382     13.69219797    -14.47692815
  H     15.08110298     11.17113338    -17.43901770
  O     15.57479519      8.72382907    -11.46930727
  H     15.21710938      8.80618269    -18.40742256
  H     15.64034039     12.48882083    -16.83575762
  O     18.44685687     14.62408931    -13.81500995
  H     14.69397826      8.79163204    -16.95182108
  H     11.97795826     13.18513018    -16.55364861
  O     13.81992929      8.10277080    -15.53677170
  H     16.24490193      9.40896391    -11.34838564
  H     13.42300728     12.62250065    -16.56143285
  O     14.24094067      6.36894221    -10.71010209
  H     14.72443593      9.17746960    -11.56159259
  H     19.11480430     12.93432644    -13.13558403
  O     14.74777029      4.90996180    -12.94050336
  H     18.97957134     15.40741542    -13.92117392
  H     19.36628287     11.59455173    -13.83591176
  O     16.01475710     10.87449729    -14.02658423
  H     17.73604533     14.84640111    -13.18724746
  H     13.45688562     11.68407821    -11.51994092
  O     13.04943011      9.89043202    -11.83607478
  H     13.51369997      8.95455997    -15.18965650
  H     13.89697768     12.92930915    -12.34907904
  O     15.91416729      7.30221155    -13.85017828
  H     14.53919120      7.81055952    -14.95675509
  H     16.73199498      8.99505276    -16.36049483
  O     19.11573937     11.11213455    -15.62220826
  H     13.33918920      6.69588360    -10.81663357
  H     16.98589058      8.23166417    -15.02591111
  O     13.31382527     10.57826714    -14.47466848
  H     14.81112926      7.14624768    -10.79275998
  H     13.13349097      5.65940425    -13.67824266
  O     14.89850087     12.11118044    -17.32734715
  H     15.01183145      4.01165513    -12.76292221
  H     12.72814537      6.82842364    -14.59716645
  O     12.66867639     12.85277662    -15.98769381
  H     14.59431682      5.33678705    -12.07747702
  H     15.90164107     13.26077813     -9.17122813
  O     19.26816351     11.99849903    -12.96233961
  H     16.37576004     10.92209928    -13.13106017
  H     15.17670244     12.92344096    -10.50064511
  O     13.79678101     12.58514402    -11.45319847
  H     16.50306064     10.19577057    -14.51100961
  H     16.60277405     12.30709531    -14.89150210
  O     17.31357268      8.94593258    -15.59064333
  H     13.01009426     10.09014160    -12.78362440
  H     17.40822213     13.64387670    -14.98407006
  O     12.39688449      6.24073090    -13.90713398
  H     12.48959748      9.11947122    -11.68326203
  H     16.88051601     11.69005906    -10.96563169
  O     16.04647215     13.11711141    -10.10233380
  H     15.65698238      6.39977901    -13.62626201
  H     18.02361583     11.27252665    -11.94126923
  O     16.78552539     13.07582757    -15.45685958
  H     15.84839935      7.81961519    -13.03387461
  H     10.81878546      7.19125824    -11.29918347
  O     17.20492255     10.96855846    -11.51813051
  H     18.48246134     11.78624493    -15.88457008
  H     11.87050347      7.01584600    -12.42084083
  O     11.70136609      7.43993709    -11.56074461
  H     18.63727296     10.27275072    -15.66684604
  H     15.53319146     14.82671691    -12.69839219
  O     16.32907832     15.02941659    -12.19171265
  H     12.95382124     11.32383774    -14.96739988
  H     16.30155496     14.46134426    -11.41126512
          69
 Energy    -249.16282869317453     
  O     14.90056976     12.74224440    -15.41604556
  H     14.52361139     12.18440432    -14.71249191
  H     17.68514134      9.72515503    -17.91390523
  O     15.45690837      5.84789322    -13.84042420
  H     14.53667056     13.61536622    -15.29701895
  H     15.97126428      7.37822835    -14.68993149
  O     19.26119085      7.72240792    -13.25334493
  H     14.97699652      6.38289010    -13.19410287
  H     15.34356509      8.45249140    -15.61420073
  O     17.56265865      7.98923354    -17.47162912
  H     16.30285221      5.59653748    -13.44425817
  H     14.49513494     10.81560162    -12.82854362
  O     15.20648738      6.57920915    -18.26818614
  H     18.79972245      8.56625625    -13.35958474
  H     13.34978320     10.34552574    -13.75065718
  O     16.93094512      9.13637396     -9.37612024
  H     19.53893072      7.45548777    -14.14200114
  H     18.29517423      5.99018489    -10.18284396
  O     14.21032406      7.66658345    -12.18193679
  H     16.89347561      7.49954288    -17.96368965
  H     18.11312566      4.62396644     -9.47338705
  O     17.69904079      9.95053909    -13.72659102
  H     17.18768162      8.07672185    -16.58062498
  H     11.58804351      8.59894783    -14.38053941
  O     18.52322905      4.15907591    -15.41246512
  H     15.42863628      5.88726039    -17.61797553
  H     12.92729078      8.57440306    -15.14733326
  O     15.46679835      6.87165150     -9.74161898
  H     14.90634156      6.13099108    -19.05422360
  H     19.05808324      7.20497105    -16.52341576
  O     15.89124545      4.78467595    -16.37376740
  H     16.37564778      8.33602078     -9.40687789
  H     19.33226555      5.86469210    -15.82754722
  O     17.61606722     10.67915041    -18.08111583
  H     16.88087766      9.47474690     -8.48605647
  H     17.93190308      5.07379046    -11.99308229
  O     16.14572455      8.21953123    -15.13015785
  H     14.77431250      8.44500287    -12.05755817
  H     18.43305621      6.12913773    -13.02275069
  O     13.88106180     11.11323526    -13.51342261
  H     13.52922912      7.93162752    -12.81195753
  H     18.47317231      8.21214860    -10.12219449
  O     17.76131756      5.17317354    -10.16872853
  H     17.81477828     10.74027290    -14.27242815
  H     19.27480724      7.68995563    -11.34995235
  O     12.53285399      8.66735508    -14.26412715
  H     17.12474623      9.35308723    -14.23264414
  H     14.77063272     11.59620688    -16.88615026
  O     19.60767991      6.78916232    -15.84860763
  H     19.01741469      3.34416128    -15.36584860
  H     15.72605101     10.87400669    -17.85348727
  O     18.00888245      5.26143213    -12.93644888
  H     18.36776587      4.44240898    -14.49543772
  H     16.16081990      9.82828252    -10.91852942
  O     19.07455716      7.51892163    -10.42023149
  H     16.10549269      6.17450980     -9.93427530
  H     16.50016968     10.02285876    -12.42115671
  O     14.80566302     10.91134461    -17.56687173
  H     14.91701870      6.98480710    -10.52742494
  H     17.73845653     11.62294009    -16.40283963
  O     15.76807875      9.95789134    -11.78935819
  H     16.79537044      4.49344261    -16.20789811
  H     16.76181744     12.35385489    -15.46414841
  O     17.66472134     12.01587436    -15.52480269
  H     15.55794912      5.06955189    -15.51118210
  H     14.10210266      9.39693878    -17.05599194
  O     13.85343904      8.53583513    -16.68022921
  H     18.19506237     10.87085577    -18.81473405
  H     14.19064755      7.85171473    -17.27105185
          69
 Energy    -249.16218277314186     
  O     12.32722429     10.03088847    -15.17736358
  H     12.68908494      9.84400766    -16.05278661
  H     19.14099102      8.56753201    -13.43126207
  O     17.03673556      6.46127670    -14.19959247
  H     12.77696652     10.81674446    -14.84761504
  H     16.84214840     12.35965549    -14.83536007
  O     17.70753593     10.26701619    -11.45435379
  H     16.29552717      6.08583644    -13.70451886
  H     15.31711874     12.42018211    -15.03396463
  O     18.89665234      9.79691074    -14.84651355
  H     17.03926876      6.11968638    -15.10201369
  H     16.33855477      8.10401391    -14.65207757
  O     14.36714330      6.91881784    -17.02764185
  H     18.05024060      9.47598439    -11.89532629
  H     16.01780144      9.29077334    -15.63943735
  O     15.06676439      7.59560843     -9.31447648
  H     17.58718833     10.02742237    -10.52638223
  H     11.84086306      8.72610626    -14.16212392
  O     14.97459619      5.73084928    -12.52164897
  H     18.91595680     10.70379708    -14.52300622
  H     10.65040741      7.95550275    -13.54218940
  O     15.14566272     10.25988298    -12.55432946
  H     17.96028101      9.54554518    -14.80874436
  H     18.75375296      7.20561922    -11.04790497
  O     18.23118763      8.51978377    -17.33037555
  H     13.95379220      6.50847537    -16.25318797
  H     18.21656632      7.64909425     -9.67272205
  O     16.37053206      5.17106398    -10.14201390
  H     15.26583649      6.57877130    -17.07947374
  H     12.59310155      6.55267368    -14.38114351
  O     17.11014190      6.07081168    -16.96769969
  H     15.40480674      6.70739733     -9.48246929
  H     13.77221015      5.64240453    -14.00124032
  O     18.80483021      7.99150450    -12.73302418
  H     14.45926837      7.78754708    -10.04141153
  H     18.73616710     12.91768450    -13.09581499
  O     16.15505725     12.37623332    -15.51123647
  H     14.53899426      6.55170787    -12.24869850
  H     18.05678845     11.59590128    -12.68377254
  O     16.15415449      9.04915984    -14.71523881
  H     15.42693922      5.39437847    -11.73844695
  H     17.29135992      9.42928651     -8.01921566
  O     11.60260630      7.98224794    -13.57949285
  H     15.43079288      9.83249021    -13.38125027
  H     16.41384832      8.65982470     -9.03499939
  O     18.49144773      6.87505095    -10.17790788
  H     15.94744321     10.34931728    -12.02690783
  H     16.08259815     11.05638954    -16.75297477
  O     13.20769055      5.90065550    -14.73974470
  H     17.50732652      9.14141882    -17.49935561
  H     15.12543097     10.06496465    -17.50799735
  O     18.22911072     12.18409689    -13.43635642
  H     18.73408549      8.91442206    -16.60876338
  H     14.14935530      8.86979851    -11.96715207
  O     17.23576742      9.17418945     -8.93601875
  H     16.59044846      4.37412495     -9.66721598
  H     12.87298917      8.03522847    -12.24408980
  O     16.04228555     10.22851977    -17.25594436
  H     17.18070615      5.71048989    -10.17575077
  H     13.35130419     12.82077632    -13.38274406
  O     13.66804963      8.07487225    -11.69768176
  H     17.55870343      6.91824080    -17.14133172
  H     14.22460286     11.54328185    -13.34262867
  O     13.77278395     12.16809877    -13.93633242
  H     17.49058583      5.43090758    -17.56323601
  H     13.74498323      8.43472940    -17.48150616
  O     13.42517009      9.33381402    -17.68919554
  H     18.21332777      7.36971494    -13.18401932
  H     12.92616410      9.26914967    -18.49875295
          69
 Energy    -249.16211434137273     
  O     13.98931122     11.20182218     -9.43493878
  H     13.58681190     11.50043893     -8.62303931
  H     14.56464120      6.56968625    -15.14325814
  O     13.12569727      5.41074507    -11.63208009
  H     13.72873795     10.27088684     -9.54941438
  H     18.29203914      6.70709795    -15.60364421
  O     16.57529493     10.82016769    -12.67205932
  H     13.83407469      4.97240146    -12.11907123
  H     16.88274079      6.51552483    -14.99703992
  O     17.43919557      9.61024698    -15.00512616
  H     13.48655083      5.62419966    -10.76353317
  H     15.69697819      7.76850275    -12.20118914
  O     14.28224391      6.17682665     -9.11243276
  H     17.08512024     10.45719108    -13.41005947
  H     15.54389547      9.30648745    -12.38471652
  O     14.75667752      9.97961639    -15.86343865
  H     15.92365587     11.41063868    -13.06931326
  H     13.54997001      7.81048794     -9.59959940
  O     14.50318406     12.15516393    -14.11955245
  H     17.58733732      8.66464568    -14.86526418
  H     13.95303207      8.58924787    -10.86937950
  O     16.06129534      6.45354005    -17.90334518
  H     16.52290619      9.70829854    -15.30072791
  H     15.48202485      3.41737436    -13.32225486
  O     11.36422793      6.78145754    -13.19594720
  H     14.28926317      5.70537004     -8.28435496
  H     15.22631818      4.78821457    -13.99242968
  O     16.96951490      6.40733044    -12.16962325
  H     15.16391718      6.58239489     -9.21241671
  H     11.87782031      9.03100036    -11.09784094
  O     13.53817417      7.91352045    -14.51673761
  H     14.23238652      9.27221903    -15.46022609
  H     11.16943705      8.51875787    -12.34962021
  O     15.19361132      5.87497701    -15.38384093
  H     14.61081239     10.77928300    -15.34099001
  H     16.70435264      8.34403309     -9.60961099
  O     17.77343310      6.84154405    -14.80088339
  H     13.86231536     11.95351978    -13.41166808
  H     16.98314074      7.02246892    -10.37250454
  O     15.05270367      8.47669599    -12.32851185
  H     14.43761259     13.09056451    -14.29105900
  H     18.78843344      7.69033635    -17.55512674
  O     13.38133160      8.62445840    -10.08630252
  H     15.83407980      7.35924124    -18.14826330
  H     19.68690275      6.46087006    -17.83232360
  O     15.28703253      4.33213774    -13.13500785
  H     17.02466408      6.42998310    -17.84947727
  H     16.81536057     10.48069776    -10.80627592
  O     11.28874542      9.30965026    -11.81328854
  H     10.61740091      6.21648951    -13.37413259
  H     15.84317600     10.61849121     -9.63482896
  O     16.65901520      7.37958526     -9.53630624
  H     11.95278462      6.28670193    -12.59742699
  H     15.00758465      9.64393653    -19.06139927
  O     18.88733616      6.73502096    -17.39198138
  H     17.46661383      6.58384222    -12.97942660
  H     15.21042509      9.55493042    -17.53226411
  O     16.65568898     10.17473795     -9.90434243
  H     16.44688071      5.61534320    -12.34934285
  H     18.19009224      9.63514025    -16.75798262
  O     15.55015450      9.24196824    -18.38754841
  H     14.03997195      8.13676639    -13.71547919
  H     17.44592541      9.41902668    -18.08153845
  O     18.32349949      9.37900156    -17.68087060
  H     12.69171903      7.56319516    -14.21549358
  H     12.25255833     10.83824315    -12.08847143
  O     12.89680708     11.56082001    -12.08182639
  H     15.39867711      5.97353202    -16.32532460
  H     13.26663072     11.58848592    -11.19230985
          69
 Energy    -249.16198547949472     
  O     17.42580819      7.24905458     -9.90842852
  H     18.06468784      7.27380916     -9.20015463
  H     15.03961944      4.05027921    -13.70735390
  O     11.52218403      9.27992421    -12.02238327
  H     16.62253321      6.84148542     -9.54283054
  H     13.82914495      7.65686000    -13.74694253
  O     11.94783836      4.02827630    -12.41542796
  H     11.84749245      9.20396786    -12.93183847
  H     15.35021882      7.34862709    -13.53540608
  O     13.95231546      5.76971378    -16.45854074
  H     10.69337022      8.78881289    -11.99894936
  H     16.59696389      8.76414679    -10.70270589
  O      9.37586187      7.34881321    -11.83171378
  H     12.73681760      4.10830866    -12.97143237
  H     15.11695176      9.10887807    -10.91585635
  O     16.65551636      3.51764405    -12.96384511
  H     12.14724460      3.37359028    -11.73495015
  H     12.67004683      3.17970398     -9.47400912
  O     15.92837305      7.58028417    -16.81970094
  H     14.04085851      5.18665413    -15.69363545
  H     12.53968132      1.66623666     -9.76502572
  O     12.60599694      4.62482101     -8.44663451
  H     13.04240152      6.09151919    -16.44471241
  H     13.93782697      7.55927133    -11.63786647
  O     11.33740398      6.83463420    -16.16761855
  H     10.01651785      6.87789856    -11.27111007
  H     12.84132245      8.53016382    -11.11443742
  O     14.74823157      9.96142388    -15.71842816
  H      8.55785379      7.38447741    -11.34216691
  H     10.73764140      5.00135580    -13.50184709
  O     12.61220458      8.74484593    -14.53706151
  H     17.13714508      4.34343874    -12.77035474
  H      9.85773241      6.26211053    -13.33314367
  O     14.21142956      4.47925481    -13.95506410
  H     17.30823296      2.87026955    -13.21456189
  H     11.63115670      5.36501851    -11.22730114
  O     14.45890877      7.11387033    -13.25031440
  H     15.21998295      6.91920014    -16.71837048
  H     12.14792470      6.70529707    -10.63587034
  O     16.01005338      9.41705750    -11.10448946
  H     16.29666867      7.45541433    -17.69005171
  H     14.48784486      3.24775989    -10.49054772
  O     12.74645653      2.50361472    -10.17106969
  H     12.04426848      5.15831530     -9.02615287
  H     15.73189047      3.62837019    -11.33351860
  O     13.54454733      7.92503270    -10.82783714
  H     13.44151803      5.10336451     -8.39799184
  H     17.11984524     11.20856222    -13.45955508
  O     10.24748825      5.67407685    -13.99128613
  H     10.92145723      6.37964287    -15.41285537
  H     16.36442585     10.12284675    -12.66057267
  O     11.43739465      6.05383565    -10.57394195
  H     10.66689333      6.92141050    -16.83975834
  H     15.10639587      5.34734033     -9.67807651
  O     15.25698530      3.82783257    -10.51911452
  H     15.16964658      9.23009950    -16.18757319
  H     14.46319097      6.78038470     -9.65292218
  O     16.61063479     10.40842116    -13.55851129
  H     15.35282105     10.21407089    -15.00952566
  H     17.68394481      6.52153846    -13.07273235
  O     15.01511707      6.16342117     -9.15470118
  H     12.14552005      8.18579683    -15.16957277
  H     17.76227892      6.30132849    -11.54324297
  O     17.85822816      5.85601885    -12.39255275
  H     13.26798775      9.27300238    -15.01689221
  H     17.02992159      8.68110969    -14.06054133
  O     17.02726003      7.73531785    -14.25895557
  H     14.28422638      5.40172746    -13.66111497
  H     16.76386750      7.63586612    -15.18361897
          69
 Energy    -249.16125518766572     
  O     16.74107398      6.82863254    -13.32191326
  H     17.08570575      6.52029725    -14.16850001
  H     13.63594332      7.97987074    -15.53937350
  O     13.05614956     12.31151294    -11.95168234
  H     15.92606609      6.36148951    -13.09141452
  H     13.45849102     11.70044664    -15.47897688
  O     18.09596857      6.42740644    -15.70342864
  H     13.57603189     11.55473546    -11.62781828
  H     12.51511436     11.68238557    -16.70571046
  O     11.42887080     10.60249000    -13.55687283
  H     12.90698196     12.88477651    -11.20462027
  H     14.04241276      7.48766880     -9.32055431
  O     14.47321519      5.78724415    -12.15988563
  H     18.59647290      5.74999962    -16.14934155
  H     15.28128162      6.62633885     -9.03651239
  O     18.15010563      7.19727572    -11.03598178
  H     18.73870182      7.07315442    -15.35288183
  H     14.77539044      9.81437161    -12.20093518
  O     20.17527949      8.93570353    -11.95151439
  H     11.86344182     11.23247373    -12.96952175
  H     15.21645330      9.90139718    -10.71910526
  O     16.61458081      9.24543838     -9.79334681
  H     11.79987146     10.76208037    -14.43326248
  H     17.62225154     11.36249530    -14.60268045
  O     10.91416979      8.06743977    -12.78565762
  H     13.94514553      6.48179511    -11.73749949
  H     16.51215975     10.70767448    -13.76620047
  O     16.77753752      8.67187565    -16.93109435
  H     15.02994619      5.43031241    -11.45706597
  H     17.07113083      5.92641229    -10.29510948
  O     12.88518179      6.78928104    -14.41736971
  H     18.96266515      7.67272698    -11.24332396
  H     16.77616779      4.57373601     -9.61353895
  O     14.13929457      8.67299447    -15.99341031
  H     17.69412544      7.06987777    -11.88422953
  H     16.03325059      8.44736456    -13.52253383
  O     12.82147308     11.15335350    -15.97394501
  H     19.57750041      9.68400261    -11.76941459
  H     15.00735646      9.11304576    -14.47227799
  O     14.81322015      7.41725926     -8.74241711
  H     21.03043737      9.17775932    -11.60609384
  H     19.39329870      9.20227767    -15.11154288
  O     14.48589191     10.09943667    -11.31972965
  H     16.00585490      8.72611503     -9.24685198
  H     19.88856940      8.56036133    -13.78953502
  O     17.04814985     11.51366102    -13.84148501
  H     17.18105645      8.59012750    -10.22229107
  H     17.84397238      9.95557756    -16.42327019
  O     16.35690391      5.32704145    -10.02271529
  H     11.05960532      8.99079169    -13.06064471
  H     18.87869086     11.03243384    -16.82544294
  O     15.52230890      9.25405062    -13.66834126
  H      9.97160341      7.92506959    -12.78388546
  H     13.43757530      8.63168123    -11.03014296
  O     19.69198053      8.37410524    -14.71498274
  H     17.14188578      7.83035148    -16.63256016
  H     12.17155674      7.84018986    -11.42937806
  O     18.49676104     10.58914119    -16.07254403
  H     15.83527436      8.65076166    -16.71566065
  H     17.71828111     10.54615279    -10.79124610
  O     12.97656700      7.79057771    -10.89960182
  H     12.15344501      7.17043498    -13.91518162
  H     17.89556150     11.21006316    -12.18974082
  O     18.37240835     10.87264671    -11.41964443
  H     13.39446653      6.27442451    -13.78243059
  H     14.04650916     12.64992661    -13.55169589
  O     14.48846227     12.60736524    -14.40896961
  H     13.58715324      9.46094341    -16.07363527
  H     15.41075848     12.38396073    -14.23126368
          69
 Energy    -249.16114653513489     
  O     13.86288706      9.59202625    -15.49804393
  H     13.27954300      9.80626621    -16.22150194
  H     10.39739447      5.42644549    -11.44388224
  O     11.07593120      9.10229164    -10.92647900
  H     13.36695522      9.78858605    -14.68654514
  H     17.02313509      4.63204163    -12.45172568
  O     15.11865333      5.76803930     -9.85227150
  H     11.53132891      9.09457464    -10.07554340
  H     17.30788656      5.22293552    -13.83232843
  O     13.73656406      1.86545528    -10.73349029
  H     10.76599979      8.19778993    -11.06090795
  H     13.95961824      7.19464152    -12.44827191
  O     12.50354859      8.79313037     -8.44535181
  H     15.36237912      5.03246923    -10.43172216
  H     14.97430706      6.85020816    -11.32015111
  O     12.69564301      9.81466851    -13.02242055
  H     15.91335041      6.18662351     -9.49802614
  H     17.64778877      7.46980059     -9.91325551
  O     15.44526479      3.82135916    -11.76852533
  H     13.10219536      2.37146773    -10.19420847
  H     17.92278901      7.32931454     -8.39655051
  O     12.16175645      2.65751243    -13.00729665
  H     13.83987940      1.01633400    -10.31285165
  H     17.11379234      9.15786549    -13.85978218
  O     15.21218033     10.06559168    -11.73504778
  H     12.26403926      9.26590409     -7.65248108
  H     18.21155043     10.24404986    -13.81599744
  O     11.85496386      3.32814765     -9.43140890
  H     13.43820104      9.00134545     -8.62204545
  H     12.43323559      6.95335494     -8.75751700
  O     10.02680428      3.62012569    -11.63515137
  H     13.51949412     10.06660971    -12.58358142
  H     13.43899958      5.93188339     -9.33814528
  O     10.80155239      6.29005064    -11.29747802
  H     12.04660576      9.67755901    -12.31592926
  H     15.83236058      8.73017150     -8.95516219
  O     17.63347951      5.21129861    -12.92605627
  H     14.97621876      3.06480398    -11.39412770
  H     15.17506344      9.77530376     -9.88204959
  O     14.84404587      7.38632173    -12.10961993
  H     14.90800808      4.13562990    -12.50991348
  H     18.16068481      8.27818261    -12.07617058
  O     17.22195195      7.39815347     -9.03878510
  H     12.73029601      3.28056473    -13.47884877
  H     18.11419598      6.72448795    -12.02694220
  O     17.63247163      9.72382632    -13.26454433
  H     12.71666243      2.25177235    -12.32989970
  H     12.43164159      7.92124174    -13.44387365
  O     12.50476387      6.05880983     -9.11202866
  H     16.05186120     10.21041881    -12.18387749
  H     11.80614546      6.70099798    -12.71057665
  O     15.09554123      9.34876528     -9.01866141
  H     15.06731727      9.10448917    -11.77519491
  H     15.21146931      8.54901591    -14.98119069
  O     18.28201147      7.51869261    -11.49771945
  H     12.05064875      4.23449883     -9.15990526
  H     15.61076536      7.71646129    -13.71502713
  O     12.44299608      6.95773561    -13.39496837
  H     11.12262491      3.39039123    -10.05703118
  H     16.14855802      6.39166607    -15.26924001
  O     15.91382147      8.00792357    -14.58972171
  H     10.74085959      3.27083753    -12.19849604
  H     16.53937146      5.35074193    -16.34667733
  O     16.20891665      5.43908793    -15.45646546
  H      9.23201461      3.15155175    -11.87426942
  H     13.37313154      5.44417954    -13.91180446
  O     13.90282168      4.63971206    -14.00219870
  H     11.39763667      6.19139985    -10.53977990
  H     14.63100439      4.83979327    -14.60273573
          69
 Energy    -249.16099906107436     
  O     10.51270627      9.95571076    -11.40566003
  H     11.03822530     10.36035910    -10.69142057
  H     12.83427879     10.48242847     -9.23241992
  O     14.51161299     10.88366023    -12.87294498
  H      9.73767000      9.57734803    -10.99976202
  H     11.90925182     11.66448442    -17.90765384
  O     17.02740375     13.32282835    -13.58338251
  H     14.00832610     10.10650515    -12.60330954
  H     10.75459563     10.81554805    -18.48839968
  O     14.85545779      8.08345006    -11.10658444
  H     15.33958404     10.93066038    -12.37952809
  H     14.00628130     13.90993894    -14.06181256
  O     10.83814518     11.65073389    -13.63954428
  H     17.49227125     12.94616838    -14.34194475
  H     13.87235097     14.65448028    -15.39591258
  O     12.38999918     15.03086636    -16.49938511
  H     16.25949718     13.78112968    -13.94127839
  H     19.05579363     11.99110055    -16.19508554
  O     15.59041428     12.57565459    -16.78001622
  H     14.12269957      8.06698462    -11.73606906
  H     17.99890491     11.05995596    -15.55338441
  O     14.38490404      9.51927580     -8.85377094
  H     15.67199638      8.19739658    -11.60734558
  H     13.19672087     13.49798059    -11.00900326
  O     13.01951036     13.11870626    -12.73653728
  H     10.58035191     11.14279297    -12.86126619
  H     13.12897920     14.45133356     -9.79411094
  O     14.77501265     10.22981034    -15.53134507
  H     11.28829137     11.02643236    -14.22836004
  H     17.46349421      9.12266156    -14.17133707
  O     17.39438681      8.72639914    -12.30286943
  H     12.00700862     15.86750672    -16.74959153
  H     16.50757957      9.52993357    -15.31065747
  O     12.09136243     11.02741910     -9.52182564
  H     11.65190882     14.45421338    -16.23152780
  H     15.26383231     11.17436240     -9.13294463
  O     11.14605960     11.10730484    -17.66942473
  H     16.53007977     12.44059084    -16.60808674
  H     14.91131792     12.60842487     -9.57919847
  O     14.52134061     14.24515553    -14.80872494
  H     15.25809222     13.16704973    -16.08748737
  H     13.02744182      9.88471686    -15.49323926
  O     18.17679577     11.97769452    -15.82672364
  H     14.52352919      8.95795006     -8.09541560
  H     11.65800635     10.09342717    -16.16294006
  O     13.30485282     13.54793589    -10.04450256
  H     14.56883889      8.97699446     -9.64080220
  H     12.92072855     13.66181014    -17.75195596
  O     17.44235143      9.46994417    -15.07037361
  H     13.61377010     12.34996982    -12.75397748
  H     14.08652078     12.67461967    -17.87435059
  O     15.65193949     12.01159573     -9.41828897
  H     12.16794236     12.77933313    -13.04018403
  H     11.91870582      9.03205602    -12.24686230
  O     12.07402477      9.78382865    -15.34892803
  H     15.00481790     11.00647974    -16.05862337
  H     12.45055042      8.86670363    -13.68382397
  O     13.18208840     12.83441671    -18.17476290
  H     14.75424720     10.52027316    -14.60597332
  H     16.63363176     11.64045915    -10.84057026
  O     12.67468598      8.71330247    -12.75732349
  H     17.35798492      9.66377284    -12.03930390
  H     17.07085211     12.08503933    -12.28852134
  O     16.98875011     11.33010377    -11.68683370
  H     18.17069308      8.35558882    -11.88964097
  H     10.51013913     12.54272385    -16.55252563
  O     10.42183258     13.24928978    -15.90046680
  H     12.43532850     11.92318721     -9.62113668
  H     10.41309476     12.80300667    -15.04362699
          69
 Energy    -249.16040527093315     
  O     -9.64284432     -0.93421029      5.08347768
  H     -8.82421487     -1.21418657      5.51249881
  H     -5.60752429     -2.23618230      1.29723142
  O     -9.06719614     -1.32402543      2.28040905
  H     -9.59174657     -1.24902976      4.17230684
  H     -8.13053708      1.24355830      3.73818898
  O     -5.19427572      0.47351283     -0.18367466
  H     -8.49885906     -1.96917784      1.84286398
  H     -7.18705919      1.44448274      2.49607390
  O     -6.09047108      1.03873049      7.03669397
  H     -8.49522539     -0.58617084      2.55004737
  H     -6.77114935     -2.38953151      6.58478155
  O     -2.48134390      2.97901447      2.19013289
  H     -5.06970858     -0.26085446      0.43479408
  H     -6.47681208     -1.41231714      5.42350457
  O     -8.95446726      3.02851727      0.64054160
  H     -4.32338628      0.87047773     -0.31339922
  H     -3.05097196     -1.14139701      1.63366563
  O     -9.47386950      1.80052890      4.90159786
  H     -6.42302040      0.15036778      6.86623268
  H     -2.27630677      0.02465920      0.98793912
  O     -5.53497360     -0.73124840      4.07113634
  H     -5.32104113      1.16482599      6.46481239
  H     -7.97707155      4.45683886      4.10389911
  O     -2.61884581      1.56207637     -0.12067723
  H     -3.28547839      3.29763400      2.62175284
  H     -7.42559041      4.06857239      5.48681480
  O     -9.70991705      3.94828805      3.23146285
  H     -2.06685019      2.37593247      2.81865091
  H     -6.79151856     -0.24095634     -0.87787169
  O     -7.28178664     -2.88485134      0.68989284
  H     -9.28580268      3.37705021      1.47863262
  H     -8.33835501     -0.25943183     -0.71794801
  O     -4.86598078     -1.69019447      1.58339663
  H     -9.36964612      2.16677913      0.51189365
  H    -10.80809218      0.14329261     -0.09489108
  O     -7.55019462      0.79503899      3.11156457
  H     -9.03031868      2.15013771      5.68607800
  H     -9.76481950     -0.24718169      0.97285150
  O     -7.05530343     -1.56888713      6.18893579
  H     -9.66782970      0.86349047      5.05057576
  H     -7.26794094      2.28880401      7.02931709
  O     -2.23530654     -0.62895207      1.69747316
  H     -4.90811532     -0.09041877      4.43371631
  H     -8.14026686      3.28577710      7.82879522
  O     -7.18994536      4.50263191      4.65768584
  H     -6.27220252     -0.20242146      3.72470874
  H     -0.70086169      0.62006752      4.18313025
  O     -7.58056369     -0.78799667     -0.99290852
  H     -2.04695440      1.95381732     -0.77506268
  H     -1.79099445      0.24308533      3.15194530
  O     -9.94097709      0.36273291      0.23901787
  H     -2.59064334      2.14354586      0.66060545
  H     -4.39057112      2.09232581      4.54847714
  O     -7.97332234      2.95626944      6.95016410
  H    -10.46500229      4.49219211      3.44402142
  H     -3.15372143      1.18963504      4.81929237
  O     -1.58427491      0.83558582      3.89685159
  H     -9.75458539      3.17054757      3.81322093
  H     -7.22495018      2.78621129      0.92512602
  O     -4.06422827      1.35818672      5.09127504
  H     -7.41276782     -3.72365033      0.25569674
  H     -5.98633725      1.84183311      0.69505426
  O     -6.37371132      2.49845327      1.28780010
  H     -7.39789038     -2.19436741      0.01084148
  H     -5.39426646      3.12234450      2.63166630
  O     -4.95932304      3.41456541      3.44682529
  H     -5.05884426     -1.41997801      2.49373212
  H     -5.63407854      3.91014717      3.93072285
          69
 Ord_Energy   -249.160217    
 O   -2.05709577      0.777615249       6.05250597    
 H   -1.28830838      0.315814376       5.67039919    
 H   -2.54618955      0.131001979       6.55376816    
 O    1.80585015       2.67245412       2.81818533    
 H    2.52475190       2.89875841       2.21836901    
 H    1.16634631       3.39822817       2.74093986    
 O  -0.166382656      0.823480964       2.24503064    
 H  -0.358245075      0.916579187       1.30473804    
 H   0.585507095       1.40881896       2.41921973    
 O    1.80296123       1.99422169       5.49946690    
 H    1.00124884       2.41025043       5.84571123    
 H    1.86681926       2.23851824       4.56348515    
 O   -1.46597123       7.28910828       4.41489840    
 H   -1.78180242       6.38436890       4.52759790    
 H  -0.631009161       7.33069849       4.90447903    
 O   -2.80865049       2.93693089      0.799778879    
 H   -2.59108829       3.87927270      0.788505077    
 H   -2.89301372       2.67366743       1.72405326    
 O    3.44519258       3.81827354      0.838545620    
 H    2.69550395       3.68890142      0.227444366    
 H    4.23403263       3.56641698      0.366880834    
 O  -0.803424418       1.58816195     -0.409622252    
 H   -1.56345463       2.07027411      -3.57233286E-02
 H   -1.14386964       1.04431474      -1.11528289    
 O   0.886845708       5.06804752       7.87587881    
 H   0.321124315       4.36916924       7.50709152    
 H   0.635277390       5.17023087       8.79023457    
 O    3.50896716       6.36725998       4.70609665    
 H    4.25228024       6.87653971       5.02021503    
 H    3.45660520       5.57703590       5.27221489    
 O   -1.77817857       5.53806782      0.625300646    
 H   -1.26971519       5.64499807     -0.189546943    
 H   -1.84304774       6.41382027       1.02979219    
 O   -1.52995396       8.06003094       1.84283400    
 H   -2.06909871       8.84446526       1.78925300    
 H   -1.49186683       7.81526279       2.78544188    
 O    3.19950104       4.28311777       6.41079092    
 H    2.52674365       4.57635117       7.03854704    
 H    2.90931416       3.41020727       6.11779928    
 O    2.57968807       6.21200943       2.08849907    
 H    2.95146370       6.28793955       2.97764540    
 H    2.99201846       5.44967270       1.66104937    
 O   0.923830509       7.71242523      0.405301929    
 H   0.161076114       7.93706465      0.953441501    
 H    1.58816755       7.32817793      0.993412793    
 O   -1.69043922       4.48383713       4.44778824    
 H   -2.09164906       3.68078971       4.09081793    
 H  -0.962912500       4.70170212       3.84412313    
 O   0.914125204       7.08628321       5.80844831    
 H    1.77303696       6.93877077       5.39854622    
 H   0.871819437       6.47596312       6.55429602    
 O   -2.43749523       1.97823644       3.47058797    
 H   -2.51705885       1.54776549       4.32968330    
 H   -1.65855825       1.58389795       3.05067158    
 O   0.193440646       4.84464931       2.50462198    
 H  -0.432034075       5.01839781       1.79050410    
 H   0.945053279       5.44105196       2.39373350    
 O    6.22945502E-02   5.96112394      -1.45943367    
 H   0.435773164       6.62857914     -0.854496121    
 H    2.23488989E-03   6.36891460      -2.31892586    
 O    1.29464197       3.50419688     -0.754070759    
 H   0.599978149       2.84215117     -0.655699909    
 H   0.870692432       4.31353807      -1.06536472    
 O   0.151951984     -0.242158026       4.85939407    
 H    5.36298119E-02  -9.50006321E-02   3.90948415    
 H   0.860096395      0.350571811       5.14469337    
 O  -0.585074306       3.15185404       6.56569099    
 H  -0.961714864       3.71098208       5.86815214    
 H   -1.11787987       2.34837985       6.57887936    
          69
 Energy    -249.16016345149364     
  O     20.93791135     11.93963252    -19.04476944
  H     21.22241192     12.81122664    -18.71409992
  H     19.22393606     17.16636274    -17.63160094
  O     16.37904343     17.96412726    -13.33980524
  H     21.57577199     11.66847290    -19.69872581
  H     15.39126702     12.22649525    -13.63707470
  O     22.29702863     14.81355608    -15.35189536
  H     16.05665777     18.80346418    -13.02387748
  H     16.03344706     10.92493563    -14.17606192
  O     14.15893437     13.62289096    -13.92825366
  H     16.48082687     18.04741837    -14.30636307
  H     20.46534631     17.50147657    -15.72557753
  O     16.97885665     11.64231218    -17.26162441
  H     21.83999556     15.66131919    -15.20033858
  H     20.23502004     16.97886328    -14.28859892
  O     16.35701122      9.54682327    -15.47369230
  H     23.17589804     14.90519551    -14.99457027
  H     17.76805158     11.95030702    -12.98514322
  O     21.46787324     14.39236024    -18.02787398
  H     13.23523429     13.67471839    -13.70047993
  H     19.22243946     12.42385996    -13.37987228
  O     18.78784001     15.46574786    -18.01265152
  H     14.62472969     14.27835692    -13.37693138
  H     19.31448464     10.06165024    -15.16305462
  O     15.59299124     15.37251712    -12.47093935
  H     16.48790730     12.40310764    -16.91824265
  H     18.92596099     10.28624698    -13.68311057
  O     20.19750174     13.04462277    -14.76827220
  H     16.66280892     10.87064889    -16.77586771
  H     15.66705777     15.41762186    -17.32757258
  O     18.31194537     13.10743562    -19.28954641
  H     17.24136389      9.47191744    -15.07178943
  H     16.77542810     16.03188640    -18.18032424
  O     19.42663291     18.03090310    -17.23714751
  H     15.98995000      8.66739055    -15.49634356
  H     18.02634939     17.14937490    -13.17911102
  O     16.12671306     11.61665436    -13.51114930
  H     21.84589220     14.54152185    -17.15273575
  H     18.67988003     15.88269795    -12.55815735
  O     20.90731622     17.08574698    -14.97611941
  H     20.62022289     14.85277592    -18.03649740
  H     16.38049193     17.51833132    -16.58479800
  O     18.67108561     12.09670722    -12.65416832
  H     18.56188123     15.25580238    -17.09266344
  H     17.71221295     18.24775701    -16.33546664
  O     18.86759146      9.65451632    -14.40762802
  H     18.58974540     14.68155185    -18.54816115
  H     18.29537578     14.42696045    -10.49061868
  O     15.91744727     16.22845663    -17.79197260
  H     16.40588142     15.04003486    -12.07257185
  H     18.34531537     13.62512991    -11.80721514
  O     18.79653017     16.56783738    -13.22904890
  H     15.77755947     16.27403256    -12.76210853
  H     18.74977172     11.34751751    -16.88698726
  O     16.82938686     18.11987798    -15.97322642
  H     20.12979451     12.38976342    -15.47841103
  H     20.17912254     11.27593990    -17.48643932
  O     18.14063288     14.49671188    -11.42949920
  H     20.98841696     13.57632317    -14.91686995
  H     18.30153824     15.51387295    -14.71470598
  O     19.67382185     11.14812687    -16.67466141
  H     19.14938260     12.63652498    -19.37653535
  H     18.86588718     14.15383597    -15.18007773
  O     18.19980690     14.82548742    -15.38137696
  H     17.74823489     12.54817156    -18.73865996
  H     15.10240882     13.80868338    -15.50414892
  O     15.74031473     13.90001720    -16.22180101
  H     19.70475288     18.59821148    -17.95258466
  H     16.56236347     14.23175833    -15.82757297
          69
 Energy    -249.16015193327436     
  O     13.39101883     11.09117836    -13.31568443
  H     12.67463998     10.50425215    -13.04023196
  H     16.40692353      4.60998360    -14.62394193
  O     16.24322891      5.29803609    -13.01794472
  H     13.58684294     10.88344152    -14.23654186
  H     19.72916869      6.66569108    -14.76230587
  O     17.94273307      9.18202786    -11.10054966
  H     17.02894932      5.65344255    -12.57635775
  H     21.13652555      6.82385613    -14.13859349
  O     16.97844749      9.59264638    -15.47438049
  H     15.48193113      5.42091142    -12.43274645
  H     15.27978680     10.24877919    -15.82837387
  O     13.42251339      7.67600444    -15.63494493
  H     17.07664412      9.52220807    -11.37254993
  H     14.25289269     11.03496418    -16.66916948
  O     14.96831818      7.67733923     -8.22061662
  H     17.89601325      9.04454838    -10.14652445
  H     15.88250604      6.96315432    -13.65608242
  O     14.09147506      5.86607522    -11.38201728
  H     16.52583297      8.90350385    -14.96177851
  H     14.78975562      7.73102628    -14.45530326
  O     15.46012609      9.83202602    -12.03863638
  H     17.75749356      9.81560433    -14.94558128
  H     10.54097559      9.30345999    -12.12717077
  O     17.44881353      7.99205497    -17.65222348
  H     13.55154391      8.60372429    -15.86527432
  H     11.62515795      8.33849255    -12.66220109
  O     15.24888027      4.91265346     -9.00480000
  H     13.94547035      7.14728671    -16.25948438
  H     17.85721124      6.63445311     -8.88211851
  O     18.77016162      6.04529791    -16.05885466
  H     14.39335594      8.03859303     -8.90952580
  H     18.14121418      5.88754401    -10.19271693
  O     16.54485446      4.34576343    -15.54977150
  H     14.95804354      6.72135441     -8.34804644
  H     12.73041302      6.29637356    -12.80010249
  O     20.21684014      7.03717573    -14.00563112
  H     14.37933859      5.41337880    -10.57812051
  H     12.49570954      6.98215040    -14.18166327
  O     14.32997495     10.38279528    -15.97617110
  H     13.92875197      6.78243725    -11.11679712
  H     18.79685924      9.66607506    -12.78722312
  O     15.59270121      7.84004600    -13.92871966
  H     14.81926638     10.45685641    -12.40604566
  H     19.55274559      8.84600258    -13.84290077
  O     11.48161349      9.21020278    -12.25205004
  H     15.52284309      9.10909052    -12.68191125
  H     18.21740675      7.46882020    -11.64523068
  O     17.81733881      5.76088436     -9.29137052
  H     17.32403702      8.63120519    -16.93055908
  H     19.11401268      6.62485223    -12.58111865
  O     12.09243076      6.79514524    -13.32224204
  H     17.77328507      8.48081905    -18.40410647
  H     17.83311140      8.88958255     -7.57155531
  O     19.08252624      9.67823194    -13.70920148
  H     16.19054733      5.13619285     -9.11633743
  H     16.61479159      8.26169492     -8.28760290
  O     18.42082426      6.56029451    -11.91309736
  H     15.21497198      4.12665396     -8.46640541
  H     15.92280065      6.84362233    -17.45708823
  O     17.56147431      8.47047047     -8.38378416
  H     18.08125268      5.38572048    -15.91348080
  H     15.59653969      5.55823806    -16.67388236
  O     15.19305900      6.28164639    -17.16978918
  H     18.39731255      6.68770954    -16.67480525
  H     12.77739340      8.77592017    -10.92954842
  O     13.59759858      8.50023665    -10.50487287
  H     16.45617397      3.39656749    -15.58117013
  H     14.30149446      9.00290571    -10.94057549
          69
 Energy    -249.15972052100869     
  O     12.42323927     12.88991334    -14.31708682
  H     12.08375182     11.99955637    -14.45939681
  H     19.41748734      6.27285927    -14.00601800
  O     19.28956220      7.16223321    -10.48184078
  H     12.61363067     12.95653951    -13.36854455
  H     18.72773857     12.41530351    -15.61435905
  O     17.06662925     10.99510585    -11.50322936
  H     19.86427011      6.88974721     -9.77180317
  H     19.85193305     13.43662935    -15.32138620
  O     13.22494828      9.90229597    -12.15059366
  H     19.83989620      7.65759225    -11.11588693
  H     13.07836295      9.68982109    -15.89461223
  O     15.76229782      6.85143032    -12.65366985
  H     16.51876799     10.83892889    -12.29092047
  H     14.40910139      8.92543373    -16.11087874
  O     14.08875272      7.88196642    -10.38444560
  H     16.78498522     11.85137951    -11.15997692
  H     15.30321962     11.35537628    -14.17726575
  O     18.35035433      5.66298740    -12.75117080
  H     14.03499387     10.12828716    -12.63459688
  H     15.55909357      9.80890293    -14.21184930
  O     14.99565153     12.84465875    -15.17950253
  H     13.44795871      9.21094761    -11.51707538
  H     14.97589375     11.69339326    -18.50712231
  O     18.43757428      8.94338569    -15.26874691
  H     16.24580426      7.45382552    -12.06663518
  H     14.70992084     10.76808633    -17.29617004
  O     16.80108741      8.42631336    -10.60137721
  H     14.91822283      6.73213518    -12.21375190
  H     20.64142193      7.89379881    -13.19348442
  O     17.99201286     11.31828708    -16.74716731
  H     13.79157732      7.62079089     -9.51622047
  H     20.30361457      9.29952230    -12.65014286
  O     20.02430717      6.72760777    -14.61714870
  H     15.03538557      8.08372780    -10.30017987
  H     16.19534797     13.72435375    -14.16598779
  O     19.16472741     12.92246593    -14.90599029
  H     17.41045114      5.87525711    -12.79976007
  H     17.71738486     13.73149993    -13.95190541
  O     13.77681371      9.52032288    -16.53784084
  H     18.66010456      6.02437151    -11.91093466
  H     16.07220500     14.29105219    -10.51350709
  O     15.45152462     10.57177136    -13.63124383
  H     14.05690890     12.95359053    -14.96006267
  H     16.31466330     13.76276307    -11.94742045
  O     15.27870760     11.48636660    -17.62714342
  H     15.06171442     12.51567388    -16.08255549
  H     18.55457757     10.85082040    -12.54943165
  O     20.68535112      8.44539804    -12.40323937
  H     19.01378228      8.17330233    -15.19016674
  H     19.32405979     11.50151752    -13.73158061
  O     16.88757243     14.01529942    -13.55368073
  H     18.66691573      9.53357559    -14.53659305
  H     12.21605429      9.94150416    -13.63607937
  O     15.98128294     13.51795128    -11.06381766
  H     17.66406413      8.02382238    -10.44390222
  H     10.91650357      9.71416038    -14.43911055
  O     19.24071041     10.69204374    -13.21174611
  H     16.94028514      9.35854107    -10.82331855
  H     13.18596405     11.76643625    -11.61955092
  O     11.80530489     10.05453235    -14.50930832
  H     17.09432500     11.34599977    -17.09848519
  H     14.13047195     12.97368647    -11.41580642
  O     13.22628829     12.73054006    -11.64513006
  H     18.13823785     10.42221253    -16.41773993
  H     16.72241490      8.40589076    -15.24549867
  O     15.78351764      8.22260617    -15.09510235
  H     20.50270822      6.05040030    -15.08746507
  H     15.72836378      7.64617222    -14.32223125
          69
 Energy    -249.15963599279380     
  O     -4.36116856      4.13172035      2.90075781
  H     -4.99199175      4.37826244      3.57199354
  H     -4.63957076      4.30098389     -2.47631401
  O     -2.99534502     -2.45037008      2.09098023
  H     -3.48195369      4.16457705      3.31467737
  H     -0.77569048     -2.28588061     -0.70380954
  O     -1.28793682      3.36345343     -2.68413871
  H     -3.59231754     -3.13597896      2.37778576
  H     -0.83317281     -2.79987445     -2.16270065
  O     -3.71331449      1.20355280     -1.02054185
  H     -3.32648003     -2.12956549      1.23269312
  H     -1.43391234      3.72147102      2.92267197
  O      1.66537144      1.60335025      4.13866271
  H     -1.17240270      2.41918690     -2.51809836
  H     -1.56087051      3.27961625      4.40191471
  O     -1.06161819      3.07356499      1.30858011
  H     -2.22373474      3.55035060     -2.53744091
  H     -0.78753974      6.08738865      0.28581267
  O     -1.03724933      1.74539813      5.13049967
  H     -2.78553326      1.04175251     -1.25084579
  H     -0.81271085      6.49124853      1.76981731
  O     -3.68332900     -1.57482653     -0.39114768
  H     -3.94579033      2.05869115     -1.40435473
  H     -3.73682338      1.57295909      0.73423179
  O     -2.03835603     -0.03570453      3.16045625
  H      2.38881990      1.24787387      4.65048551
  H     -4.00708439      2.49462967      1.99107842
  O      0.62984662     -0.25929712      2.37392658
  H      1.38658875      0.89868272      3.53082397
  H     -1.03048364     -0.25456733     -1.78629643
  O      2.07386721      4.04004998      2.64161570
  H     -1.94023939      2.68223547      1.22108238
  H     -0.34808943      0.93214608     -1.06483753
  O     -4.01647432      3.83196798     -1.92791331
  H     -0.92535669      3.73823589      0.61990540
  H      0.18795986      6.62397461      4.15481148
  O     -1.13123866     -2.09774956     -1.59089831
  H     -0.09336883      1.71758100      4.93045537
  H     -0.58681473      5.36451336      3.70471702
  O     -1.74731947      4.01090424      3.79509924
  H     -1.44071219      1.05195176      4.59031605
  H     -4.01682221      4.94763500      1.20291244
  O     -1.31268578      6.55884745      0.95032108
  H     -3.88781582     -0.66184206     -0.62727185
  H     -2.89906726      5.78427124      0.54724876
  O     -3.49348556      1.75220803      1.65297308
  H     -2.90810724     -1.81467013     -0.91495756
  H      1.55193341      2.04680573      0.02628904
  O     -1.04818142      0.70584434     -1.69283130
  H     -2.56138877      0.60455374      2.65565467
  H      0.16515994      1.98460213      0.69066238
  O      0.11298619      5.98794595      3.44727789
  H     -2.39901912     -0.90391706      2.94341947
  H      0.13383860     -1.88821300      1.46796294
  O     -3.67165443      5.23404145      0.35114658
  H      0.76785172      0.25749252      1.56544801
  H     -1.20446164     -2.65055983      1.43557862
  O      0.82929281      1.44267387      0.23201944
  H     -0.30016708     -0.15816015      2.62986700
  H      3.39361604      3.94557359     -0.23599531
  O     -0.36034902     -2.55486578      0.97594907
  H      1.90681495      3.26048417      3.18482687
  H      2.40783480      3.83400265      0.95430880
  O      2.51191682      3.67069855     -0.00162421
  H      1.45762559      4.72419398      2.92915475
  H     -0.40257093      4.32810784     -1.48154643
  O     -0.03378719      4.76119398     -0.69713534
  H     -3.89763379      4.36548157     -1.12098861
  H      0.87279666      4.45490977     -0.58266079
          69
 Energy    -249.15951666173655     
  O     -1.17868089      3.56323925      2.56954717
  H     -1.76244455      3.18990582      1.89369275
  H     -0.89659126      8.19484002      0.52812665
  O     -2.85878219      5.45757008     -0.87068159
  H     -0.53111322      2.89731006      2.82982210
  H      1.87271949      1.90651915      0.05608315
  O      3.92498042      5.80511168      1.95580082
  H     -2.89725637      6.11760428     -0.16732437
  H      0.56528260      1.10753475      0.03137792
  O      1.54305345      7.24467617      2.22328822
  H     -2.00141546      5.58738879     -1.30382777
  H     -0.02529840      4.17591264     -2.56851979
  O     -0.28855705      5.74430081     -1.72825571
  H      3.83219044      5.84796761      0.98722248
  H     -0.61492558      3.05483448     -3.45678576
  O      2.18057700      3.51137820     -0.92987885
  H      4.84731581      5.95632444      2.14525891
  H      0.98398479      8.18042362     -1.03598310
  O      0.49195844      4.97775266      0.79324687
  H      2.44170850      6.89504209      2.16389977
  H      1.73658221      8.60527798     -2.32101567
  O     -2.58295823      7.40439076      1.14231585
  H      1.24801527      7.09931336      3.13129902
  H     -3.61749999      0.69301326     -2.23703669
  O     -0.88116221      1.34169024     -1.12559145
  H     -0.05917303      5.49601640     -0.81769110
  H     -3.28172067     -0.64200884     -2.94603854
  O     -1.71508305      6.14146937      3.37420089
  H      0.28867772      6.48335541     -1.95114646
  H      1.92278754      3.50408282      3.58767451
  O     -2.65487649      2.89167928      0.35592461
  H      1.62148656      3.96635991     -0.28017397
  H      2.86780031      4.66933396      3.17743872
  O     -0.01264191      8.53007700      0.34364834
  H      1.62957173      3.35679947     -1.70888576
  H     -3.86579771      4.73952395     -2.17113863
  O      1.36839104      1.24823274      0.55052510
  H      0.82995856      5.74033582      1.27734335
  H     -4.91065829      4.85004027     -3.30297471
  O      0.12421472      3.26736768     -2.86778655
  H     -0.08047194      4.49053601      1.39786053
  H     -2.47247725      1.74950388     -3.80827929
  O      1.53068990      7.85239388     -1.77369610
  H     -2.27602668      6.96867376      1.95780908
  H     -2.94700383      3.21085168     -3.79550971
  O     -2.91956825      0.20807117     -2.71275750
  H     -3.23691670      8.04526682      1.41105187
  H      1.11145342      1.11949371      3.67570203
  O      2.28090071      4.35275277      3.87420140
  H     -0.49311597      1.99057974     -1.73143707
  H      1.17930166      1.62247301      2.21425510
  O     -4.31715008      4.24016446     -2.87153239
  H     -1.48725682      0.80193808     -1.64752757
  H      0.98544328      6.62485108      5.67379751
  O     -2.24642998      2.63371990     -4.12240244
  H     -1.63968879      5.19676938      3.17408376
  H      1.27553120      5.61730848      4.53507238
  O      1.01285278      1.89782231      3.13385416
  H     -0.96856147      6.33212975      3.95261837
  H     -4.12387896      2.10619477     -0.60588455
  O      0.75435300      6.40529741      4.77563104
  H     -2.71213356      3.76755032     -0.04896055
  H     -4.71502361      2.61767866     -1.92378379
  O     -4.64702518      1.82935926     -1.36994637
  H     -2.01351874      2.37221869     -0.15204976
  H      3.16091646      5.10336124     -0.95171594
  O      3.49108533      5.97999105     -0.71015594
  H      0.54874376      8.20736615      1.06464881
  H      2.88648457      6.62167311     -1.09965026
          69
 Energy    -249.15937894843057     
  O     16.78160383     10.50350523    -13.97769254
  H     17.31240960     10.33051775    -13.18907313
  H     16.04789635      3.49258330    -13.24314581
  O     14.16652607      5.51639955    -16.96371501
  H     17.15701188      9.97982300    -14.69706022
  H     14.94910118      4.80872978    -15.43484191
  O     13.03466345      7.47096733    -11.91751227
  H     14.09452888      5.11413778    -17.82526039
  H     14.48798151      4.73360940    -13.95966551
  O     15.39207343      4.77931760     -9.29334849
  H     14.54607350      6.40303965    -17.09920481
  H     14.25160126      7.38691561    -10.57214813
  O     11.91760228      6.03773790    -15.25096234
  H     12.28187152      8.07226463    -11.92076553
  H     15.19185633      8.39835526     -9.88714419
  O     14.34010452     11.84611555    -14.41296679
  H     13.69289627      7.86300428    -12.51454486
  H     15.51515705      7.76623822    -13.91533457
  O     15.16376690      8.01231889    -17.24528016
  H     15.22892591      5.72932079     -9.38192460
  H     15.37410532      9.26912116    -13.60604143
  O     15.50792721     10.11453110    -10.17033814
  H     16.30294693      4.63885543     -9.57596385
  H     18.51909501      8.50076465    -16.34279886
  O     17.92025581      4.39796453    -10.66050311
  H     12.16689416      5.55681102    -14.45114742
  H     17.53655224      7.87629078    -15.32214010
  O     13.33880601      9.50611764    -15.74996580
  H     12.61852854      5.86982996    -15.89173228
  H     10.25903567      9.73076482    -12.07768227
  O     13.86908566      3.18674771    -10.86748404
  H     15.26484912     11.57599548    -14.32895925
  H     10.93505280      9.13935636    -13.33454359
  O     16.29337502      3.09336608    -12.39899947
  H     13.93649302     11.20889802    -15.01499574
  H     13.19058713      4.28487773    -12.20564997
  O     15.25636739      4.62029400    -14.53937074
  H     16.02065020      8.29294689    -16.90611561
  H     12.99095881      5.79995183    -12.49984813
  O     15.02632903      7.44923258     -9.99774468
  H     14.51008175      8.62292171    -16.87610766
  H     11.15627635      7.57769788    -15.09967495
  O     14.87211666      8.44757951    -13.68748807
  H     14.81474430     10.49373712    -10.73371194
  H     10.01820314      8.49004254    -15.61528776
  O     17.66628722      8.62306951    -15.93306950
  H     16.33781533     10.21372358    -10.64465911
  H     12.69015323     10.56526181    -12.02919980
  O     11.09326047      9.41657918    -12.41857173
  H     17.40358777      3.90122558    -11.32062269
  H     13.75817814     11.43132912    -12.71945154
  O     13.02738368      4.92257171    -12.91081153
  H     18.65401358      3.84323879    -10.41061915
  H     17.20268483      6.75983121    -13.18373593
  O     10.77383131      8.47222662    -15.03371743
  H     13.82249841      9.08838977    -15.01981837
  H     16.48543758      5.89279044    -14.27583276
  O     13.51542768     11.03225532    -11.87162887
  H     12.41543232      9.26450318    -15.62324413
  H     18.83667414      9.93347485    -11.09911728
  O     17.02091945      6.68521059    -14.13054582
  H     13.43068402      2.51927362    -10.34688435
  H     17.91882741      8.76365272    -11.51501399
  O     18.06296756      9.71851095    -11.61487497
  H     14.35177881      3.75873521    -10.24343858
  H     17.71082692      6.16347359    -11.11401752
  O     17.39092674      7.03001063    -11.39572206
  H     15.46540744      2.97040348    -11.91729445
  H     16.54616168      7.17578006    -10.94347368
          69
 Energy    -249.15927283657146     
  O     -9.30443191      1.78040162      2.84888423
  H     -8.58426415      2.00771152      3.45996558
  H     -4.74361628     -0.39630698      1.23503479
  O     -5.75500211      0.73160658      6.26055919
  H     -9.04650465      0.94013313      2.44011644
  H    -11.40617927      1.16640876      5.30578872
  O     -8.17901908     -2.51307157      4.18006605
  H     -5.66345121     -0.08085739      5.73739668
  H    -10.12062969      1.15414665      4.43638422
  O     -7.75182235      4.47477514      6.17268529
  H     -6.34253113      0.55779050      7.00396466
  H    -11.54067815      5.16329942      5.41258817
  O    -13.04432533      2.00079161      5.14597817
  H     -8.45899380     -3.42437772      4.18573482
  H    -12.11730512      6.35859695      4.61902382
  O     -7.25146718      2.29302308      4.54094477
  H     -8.53519784     -2.10636113      4.99010782
  H    -10.94759298      2.82017311      2.87974438
  O     -7.76552491      0.46767848      8.24648052
  H     -8.13177573      5.02353553      5.47044089
  H    -11.58433245      4.12182410      3.43554018
  O     -9.36399767      2.54151068      7.34427706
  H     -6.84024309      4.76495968      6.30574277
  H     -7.27784023     -0.46603815      1.90713062
  O    -11.77831622      4.02031620      6.73051782
  H    -12.69610012      2.43657479      4.34552015
  H     -8.28841139     -1.27967571      2.73080592
  O     -5.94897727      6.28129723      3.65469524
  H    -13.91862055      1.68596892      4.93558956
  H     -8.66554982      5.34693074      3.19426475
  O     -5.13135716      2.41063018      2.76226834
  H     -6.79841773      1.66736988      5.12302667
  H     -9.66352126      5.95696061      4.21267748
  O     -5.37159530     -0.18467640      1.92117334
  H     -7.40872350      3.09116955      5.06044768
  H     -5.26557423      5.31576607      0.70779222
  O    -10.46828407      0.93720051      5.30998857
  H     -8.33025127      1.23007675      8.03642286
  H     -5.68052565      5.37371656      2.19789859
  O    -11.43430127      5.69291536      4.60307744
  H     -7.74469174      0.39659587      9.19759690
  H     -8.62765413     -0.82851392      7.07552160
  O    -11.78788081      3.24030201      3.10021920
  H     -9.69717908      2.03052509      6.59126054
  H     -9.69002463     -0.54783986      6.00255099
  O     -8.22295568     -0.58948829      2.05859713
  H     -8.80060767      3.24960328      6.99816574
  H     -6.43619661     -1.85203677      4.43480643
  O     -8.72437576      5.87219236      4.00843281
  H    -12.31587518      3.31773045      6.34234184
  H     -5.41917511     -1.02025194      3.63929148
  O     -5.62186837      4.79049116      1.41892903
  H    -11.01721031      3.58558356      7.13208890
  H     -4.51203521      2.05052200      5.81418774
  O     -9.12936714     -1.24731532      6.36847983
  H     -6.90298865      6.33656523      3.80153673
  H     -4.16696705      2.66140167      4.44510226
  O     -5.60897611     -1.36169314      4.52163109
  H     -5.56446165      5.98449426      4.48803750
  H     -8.67130765      3.38983046      1.90699221
  O     -4.04399767      2.78604969      5.39387300
  H     -5.19376865      3.20683940      2.21995948
  H     -7.51340212      4.34764104      1.51127420
  O     -8.44205873      4.31555917      1.77056411
  H     -5.89702047      2.42146763      3.35729571
  H     -4.63361640      4.33926002      5.90101388
  O     -5.04146250      5.18893062      6.14652270
  H     -5.22017539      0.74454040      2.16184679
  H     -4.44720144      5.61265195      6.75986289
          69
 Energy    -249.15908215179661     
  O     15.20487918     12.64645724    -14.72744021
  H     16.13515059     12.41604149    -14.63564534
  H     12.50556775      7.88972151    -16.39427738
  O     14.00223147      7.03531263    -13.76461755
  H     14.88058067     12.14778400    -15.49181313
  H     16.27651698      8.95571292    -15.09637851
  O     17.93511298      7.79752211    -11.81115418
  H     14.71245371      6.45469597    -13.46552354
  H     14.97721301      9.77493407    -15.29011820
  O     18.06868861      9.14399381    -15.69150440
  H     14.45360639      7.80839505    -14.14044154
  H     14.07027102     12.57605004    -13.41159745
  O     11.82366441      9.65229664    -16.33137072
  H     17.82185485      7.58131994    -10.87731441
  H     13.03494297     13.36157777    -12.57547911
  O     15.00143918      8.70926622     -8.84610990
  H     17.46414925      8.62973771    -11.96279505
  H     15.66018896      5.34076847    -11.35959901
  O     12.67125692      8.38093304    -11.78377193
  H     18.04646673     10.05145152    -15.35936940
  H     16.05756748      5.87397724     -9.97053906
  O     16.51330391     10.10072987    -12.37569817
  H     18.72349485      8.68438097    -15.14346929
  H     12.32688989     11.07220114    -13.39306588
  O     15.20657792      6.61937455    -17.78606148
  H     10.96841352      9.87153285    -16.69160411
  H     11.97970411      9.61578482    -13.01941195
  O     13.11452181      6.68468623     -9.58628639
  H     11.79391943      9.87570806    -15.38301233
  H     20.05750187      6.87264836    -14.04720301
  O     17.08365820      6.23997740    -15.70295421
  H     14.78077768      9.46213671     -9.40899016
  H     19.14543332      7.72794169    -13.15181218
  O     12.95130227      7.03482287    -16.35995127
  H     14.28494504      8.07244770     -8.96518730
  H     16.91769492      6.46209431    -12.62780445
  O     15.42582797      9.16557668    -14.69081153
  H     12.65144196      7.80985322    -11.00691638
  H     16.64101581      5.78843889    -13.98854814
  O     13.40597531     12.49250503    -12.70469490
  H     13.10296482      7.86514455    -12.48233903
  H     17.68287603      7.10035861     -8.34637361
  O     15.35791398      5.40791150    -10.44490865
  H     15.81705574     10.30177373    -11.73849848
  H     16.47521536      7.79734735     -9.01808079
  O     11.86519681     10.28545308    -13.70576192
  H     16.05878462      9.77509349    -13.16956123
  H     15.88763870      8.36305619    -17.97572725
  O     19.65952791      7.73752269    -13.97500327
  H     15.02302142      6.01661110    -18.50172050
  H     17.00041439      9.24697501    -17.37808987
  O     16.38750502      5.77477386    -13.05406994
  H     14.36829539      6.75141074    -17.30811704
  H     13.94033219     11.28768097    -11.37901612
  O     17.22654021      7.19761882     -9.17765355
  H     13.86176595      6.16093504     -9.92778599
  H     13.68723614      9.77262080    -11.19286375
  O     16.21611662      9.27143358    -17.93771679
  H     12.57015489      6.08870834     -9.07907538
  H     17.48458141     11.15120785    -13.46891600
  O     14.22998319     10.51313366    -10.88067517
  H     17.60817467      7.03988007    -15.78726438
  H     18.61279411     12.11143001    -13.91306213
  O     17.87432283     11.60138662    -14.23788913
  H     16.43780166      6.27962762    -16.42108393
  H     13.46690336     10.46754559    -16.70903001
  O     14.35266582     10.84647876    -16.65221136
  H     13.18306061      6.88844937    -15.43268129
  H     14.94261329     10.35538041    -17.24452346
          69
 Energy    -249.15907311948078     
  O     15.65409589     13.81827688    -16.02330319
  H     15.22908580     13.33476163    -16.73921844
  H     15.05168901     10.91989837    -15.02773821
  O     17.48200962      8.64496391    -16.62041271
  H     15.95857871     13.14493382    -15.39434705
  H     17.43980386     10.23426035    -17.43468218
  O     15.11625948      9.67188074    -11.46586606
  H     18.05411184      8.60508180    -15.84615915
  H     16.50588198     11.39039713    -17.87346747
  O     17.97253542     15.72909977    -13.44468971
  H     16.63413353      8.27036765    -16.34877350
  H     14.33529179     11.34767148    -16.96451043
  O     14.99457650      7.93913767    -15.47443232
  H     15.66511437      9.13676652    -12.05408514
  H     13.94463371     11.67435369    -18.42422358
  O     13.45948533      7.87009524    -10.26482681
  H     15.55787633     10.52367037    -11.33453585
  H     18.38234443     14.15461710    -12.50328522
  O     14.82472967      6.03814990    -12.01428883
  H     18.40486658     16.57191919    -13.33540399
  H     18.85993011     12.70312299    -12.74535356
  O     16.39395226     11.77059937    -14.26766455
  H     18.15100886     15.44021870    -14.35800421
  H     18.12858002      8.38751921    -13.66018311
  O     13.02274933     10.97438753    -12.84701221
  H     14.28991000      7.36165147    -15.15541628
  H     19.60272491      7.99665725    -13.89980149
  O     16.49906047      7.90567409    -13.13790509
  H     14.63638117      8.83865091    -15.49591743
  H     12.52457583      7.15433613    -13.67450906
  O     19.14909369     11.47327788    -14.19295001
  H     13.40187102      7.96912604     -9.31830559
  H     12.28998343      5.87068172    -14.50543374
  O     14.19751375     10.57854034    -15.34037725
  H     14.07518096      8.55428166    -10.58256182
  H     13.18253186     14.19344399    -11.43566769
  O     17.42942961     11.14360334    -17.77178279
  H     14.35326354      6.49804384    -11.30860040
  H     14.18321250     14.23509514    -12.61165533
  O     14.60370988     11.84356497    -17.75609847
  H     14.20992817      6.01378268    -12.75864942
  H     17.35602616     14.55693944    -16.15712044
  O     18.49262632     13.29554950    -12.07627405
  H     16.22521749     11.94203779    -13.33347342
  H     18.81157734     14.06860497    -16.27108378
  O     18.94905874      8.66138013    -14.10412493
  H     17.34680539     11.63837125    -14.34811684
  H     15.36922477     12.82177437    -11.50266270
  O     12.97004044      6.46391115    -14.19724393
  H     13.12219509     11.90152990    -12.60059808
  H     16.94258356     12.64762144    -11.54467878
  O     13.71665465     13.63862212    -11.99825184
  H     13.73228255     10.49969917    -12.38797214
  H     12.26279332      8.16850073    -11.72382982
  O     18.27153179     14.80902742    -15.97209128
  H     16.09175819      7.16541691    -12.66471017
  H     12.06179579      9.31753634    -12.72839180
  O     16.09321668     12.18589460    -11.46754905
  H     16.02553110      7.96697386    -13.98020261
  H     16.07359427     15.45671662    -13.46627000
  O     11.89081593      8.37767633    -12.59090205
  H     19.19447297     10.50889150    -14.15914429
  H     15.17850089     14.84246125    -14.55275566
  O     15.16432608     15.19284816    -13.65158727
  H     19.42460041     11.75812180    -15.07467876
  H     18.80436909     11.97903865    -17.19781795
  O     19.58102134     12.41157114    -16.79562879
  H     13.59236650     10.71406656    -14.60091326
  H     20.28978634     12.34725793    -17.42960150
          69
 Energy    -249.15896614019937     
  O     15.48192666     10.56106579    -15.84308607
  H     14.81916679     11.15754704    -15.47625420
  H     12.82303690      8.54365119     -8.65369665
  O     15.73238925      6.75578808    -11.68243409
  H     16.18930311     10.51386421    -15.18545569
  H     14.47018125     12.27850824    -11.40342046
  O     11.28230997      8.28036102    -11.81001123
  H     14.84878839      6.50704584    -11.38144301
  H     15.78811724     12.70671338    -12.07119493
  O     14.00569140     10.97884968    -10.15410196
  H     15.79947224      6.54871873    -12.62303048
  H     15.32785104      8.49613649    -11.90294427
  O     12.71147263      7.25674259    -15.17226154
  H     11.74458114      8.84553028    -12.44617205
  H     14.80443875      9.90634424    -11.44991326
  O     16.24006682      6.42426546    -14.50145269
  H     10.87782193      7.56514674    -12.32195484
  H     15.18401808      8.92571701    -16.34211969
  O     12.80576200      9.61266329    -13.66357536
  H     14.55001843     10.73639544     -9.39266077
  H     15.29289558      7.89437341    -17.48876992
  O     17.63090682     10.23529544     -9.81697820
  H     13.11583941     10.65424688     -9.96950432
  H     12.60569923      4.92294788    -11.48952789
  O     14.02627480      4.91907315    -14.23039831
  H     13.41379995      7.41914208    -15.81376530
  H     12.10650001      3.46101139    -11.53565126
  O     15.59504702      9.92953825     -8.11178313
  H     12.66666825      8.07501366    -14.65753249
  H     17.82722434      7.15227235    -14.14361146
  O     18.24026626      7.85151273    -11.08144381
  H     15.90544863      7.00863134    -15.19449251
  H     19.33890859      7.29784845    -14.42572421
  O     13.55021863      7.93756816     -8.46334111
  H     15.58433957      5.71276333    -14.42939574
  H     10.71423345     10.03164755     -9.17201318
  O     14.82936691     12.77444800    -12.15170900
  H     13.64749076      9.46884463    -13.20313879
  H     11.34714321      9.20526313    -10.31486614
  O     15.10049865      9.38460882    -12.20636450
  H     12.85886484     10.50551711    -14.02118526
  H     13.34457606      6.81901635     -9.84075681
  O     15.07567034      7.98408934    -16.56448584
  H     17.92080173      9.41772633    -10.24921065
  H     12.54211647      7.05834452    -11.14128289
  O     12.29121741      4.21979170    -12.08286415
  H     17.66978057     10.93430246    -10.47695362
  H     11.08424156      5.39847344    -13.07645617
  O     18.61290332      7.69124303    -13.94850606
  H     13.50366265      4.52379478    -13.52441697
  H     11.22574799      6.45391437    -14.19328611
  O     11.54881561      9.72924650     -9.52044719
  H     13.51354692      5.67791600    -14.54313978
  H     17.61209470     11.52595448    -12.64682829
  O     13.14253472      6.43748563    -10.70822887
  H     16.37869696     10.00691070     -8.68711717
  H     18.39078527     12.76274643    -12.14187214
  O     10.66455429      6.18016221    -13.45593611
  H     15.86904517     10.20616232     -7.24165878
  H     13.12651688     12.98327532    -14.80336267
  O     17.63775159     12.20779811    -11.95386992
  H     17.40617779      7.36208624    -11.10153289
  H     14.01393185     12.43962753    -13.66029437
  O     13.55647859     12.19440279    -14.48463293
  H     18.56758212      7.80456973    -11.98589874
  H     16.50037342      9.88229968    -13.18412661
  O     17.26320807     10.15688241    -13.71988464
  H     14.31917462      8.49767538     -8.30255457
  H     17.82140576      9.37899026    -13.83558082
          69
 Energy    -249.15884346468573     
  O     -0.15679908      0.57583079      1.57350475
  H     -0.24822247      0.89586980      2.48139458
  H      3.38444960      1.12131665      3.16798525
  O     -1.03084493     -1.21584398     -1.44796381
  H     -0.23301541     -0.38563432      1.61415332
  H      1.08287119     -3.93803379     -0.74281708
  O     -3.43621088     -0.91524393     -0.31360376
  H     -0.41534890     -1.90674115     -1.17998042
  H      1.52830656     -2.59418127     -0.11530263
  O      1.91664270      3.98938724      1.34304989
  H     -0.50193711     -0.43431682     -1.66426824
  H     -0.44676284      4.50794741      3.42348011
  O      0.47831430      1.08591221     -1.91532250
  H     -2.57986956     -1.07243179     -0.75592437
  H      0.88049269      3.92279084      2.89508361
  O     -2.90877037     -1.31804268      2.47181708
  H     -4.10858022     -1.30118693     -0.86739355
  H      3.34236886      3.70592822      4.51630332
  O     -1.93365607      5.27536229      2.59255660
  H      1.22420273      4.49705745      0.89252970
  H      1.85021289      3.66908690      4.85684334
  O     -3.16032996      0.72850075      4.22997939
  H      1.98882732      3.13833948      0.89610883
  H     -0.64965072      4.62093328     -0.41578677
  O     -0.42959312      1.36246518      4.19578937
  H      1.19440741      1.21991135     -1.28229220
  H     -0.90152586      5.27835702      0.96788705
  O      2.73618919     -1.53561748      0.53946151
  H     -0.03444901      1.90219452     -1.91047423
  H      2.77468277     -2.40289008      3.90997886
  O     -0.25969429     -2.19526710      2.11184949
  H     -2.03855627     -1.73805370      2.44860259
  H      2.28227518     -0.94452406      3.87181763
  O      3.93427222      1.37408183      2.41537873
  H     -3.18148511     -1.22892174      1.55068508
  H     -1.57361398      1.26739168      0.67710275
  O      0.75232833     -3.13644458     -0.34716953
  H     -2.49076213      5.99547793      2.87500226
  H     -2.89326571      0.81243698      0.01311421
  O      0.30928533      3.96343187      3.67497554
  H     -2.49156230      4.47680162      2.57298581
  H      1.35187537      1.05241576      0.78527170
  O      2.71097167      3.34414921      5.15056505
  H     -3.10718516     -0.01830198      3.60611477
  H      2.87941721      1.31908281      1.02761449
  O     -0.25476781      5.18995445      0.25706874
  H     -3.73396946      0.45231529      4.93958863
  H     -1.79390373      2.72344478     -0.96252085
  O      2.25427481     -1.79007701      3.39513282
  H     -1.36999600      1.19875170      4.33239869
  H     -1.96365779      3.50040539     -2.29011636
  O     -2.38399974      1.59485676      0.25804492
  H     -0.28601995      2.31500916      4.08767222
  H      2.52143928      1.53067965      4.95072455
  O      2.18164258      1.31338073      0.35173299
  H      2.68020533     -0.60202502      0.30937782
  H      1.25077847      0.79483836      4.51884980
  O     -1.34543941      3.32082757     -1.58556437
  H      2.73241183     -1.57069299      1.50397792
  H      3.42043432      4.23383553      2.27831218
  O      2.20991232      0.68481420      4.59685398
  H     -0.01531861     -2.64214443      1.29068552
  H      4.79608100      4.87476278      2.57195684
  O      4.20470110      4.18121641      2.85175691
  H      0.54415660     -2.13260487      2.64382859
  H     -3.38143008      2.27475191      3.14657355
  O     -3.33506366      2.97606296      2.48692195
  H      4.22323177      2.27804480      2.59146621
  H     -3.09155635      2.53638092      1.66059644
          69
 Energy    -249.15880548871320     
  O     12.23441750     13.10376324    -12.88498752
  H     11.90679241     12.27816785    -12.48590588
  H     13.58708325      6.93883330    -15.80515622
  O     20.21612997      8.31987152    -11.23522945
  H     11.46831016     13.63889737    -13.07570035
  H     13.98528530      9.64615042    -12.60174832
  O     17.18448315     11.00601931    -11.51024366
  H     20.05006516      7.47004242    -11.66367031
  H     14.62124577     10.91873894    -13.26209216
  O     12.67604878      8.43452219    -12.69061482
  H     19.45065194      8.48506788    -10.67346057
  H     14.67518241     10.91033687    -15.83094218
  O     16.93130546      6.62518971    -11.82991840
  H     16.32989225     10.74598406    -11.88266082
  H     14.35222831      9.43703232    -16.14663602
  O     14.26733006      7.07981591    -10.90349905
  H     17.11256705     11.94005539    -11.27200372
  H     16.09779463      8.71625621     -9.06730803
  O     19.50108687      6.03413744    -12.80579267
  H     13.13801576      7.84501055    -12.07238145
  H     15.29177531      8.40752622     -7.78615388
  O     14.36332884     12.16472510    -14.47718921
  H     12.81468091      8.10480052    -13.58649062
  H     21.90437883     10.11075172    -13.25294339
  O     17.56549719      9.46760644    -15.75551263
  H     16.61962076      7.10034716    -12.61658374
  H     20.74279628      9.39517850    -12.52289146
  O     17.59952715      8.69331962    -10.06378011
  H     17.78159693      6.24568834    -12.08164147
  H     17.47075442     12.82324870    -14.12969797
  O     19.68473062      7.82534522    -14.84414277
  H     14.44624253      7.56876330    -10.09209235
  H     16.78162861     13.68662332    -13.05978095
  O     13.64593442      7.71828706    -15.25725687
  H     15.12196793      6.72930007    -11.18429882
  H     15.80103703     13.73337100    -10.97551492
  O     14.75427206     10.23513231    -12.58836676
  H     20.00083126      5.25100429    -13.01987071
  H     17.12389250     14.44872267    -10.60574452
  O     14.95012006     10.15679273    -16.37136610
  H     19.53132350      6.60968444    -13.59156278
  H     13.97352967     12.66168300    -10.27333167
  O     15.20344975      8.70749700     -8.68758704
  H     13.61863570     12.60882993    -14.05421838
  H     13.47252968     13.50365998    -11.46387929
  O     20.97942811      9.89150169    -13.32670153
  H     15.15708319     12.71315550    -14.37112964
  H     18.15002783     11.14875185    -13.06423768
  O     16.73480066     13.43283883    -13.98974502
  H     16.71955174      9.76341834    -16.12374828
  H     19.49930225     10.93827615    -13.77415570
  O     16.76147836     13.74719341    -11.13950561
  H     17.91135180     10.18538466    -15.20544722
  H     12.09866051     10.79120488    -10.84801617
  O     14.11047400     13.49709749    -10.74082952
  H     17.52390416      9.53005404    -10.54752367
  H     11.69331470      9.92338270    -12.04604058
  O     18.60870752     11.28671443    -13.90523724
  H     17.37111182      7.97614458    -10.67471035
  H     14.23583933     10.16386729     -9.38567009
  O     11.53435667     10.78192825    -11.63191353
  H     18.98485011      8.28027478    -15.32919240
  H     14.16902254     10.66724661    -10.83784026
  O     13.82333859     10.82895210     -9.94893045
  H     20.22234695      8.52401079    -14.45016280
  H     15.64122577      8.85515944    -13.44137658
  O     16.03587159      8.11558947    -13.92221989
  H     14.52662374      7.70394426    -14.84662814
  H     16.64087493      8.50287839    -14.57003798
          69
 Energy    -249.15844714284202     
  O     14.79398119     10.15499256     -9.32687190
  H     15.14859711     11.04616900     -9.22267598
  H     13.62867249      6.47577969    -11.53427965
  O     17.34110437     12.42041338    -13.25202421
  H     15.43746300      9.65480769     -9.84857646
  H     12.20169410      7.78038468     -8.92600341
  O     11.32245992     10.52173566    -14.98149239
  H     17.61447475     11.96080994    -12.43782060
  H     11.56653791      8.69058310     -9.98911047
  O     13.15834824     11.60343881    -13.13682577
  H     18.10837729     12.87876532    -13.58319837
  H     14.25384916     12.89532898    -12.27289916
  O     15.48528051     10.64334826    -14.34375975
  H     11.29509135      9.56726845    -14.80088285
  H     15.76302750     13.17919186    -12.42761240
  O     15.93638655     12.69566896     -9.40920498
  H     10.47053722     10.75549975    -15.34166846
  H     12.93970052     10.38800310    -16.14107126
  O     16.67651828      8.62315015    -10.74654753
  H     13.96786137     11.24129968    -13.52758957
  H     14.45274991     10.36560990    -15.87248926
  O     13.65454016      4.63626593    -13.71292284
  H     12.44635452     11.37532749    -13.74697508
  H     16.29997640      5.46829381     -9.13036938
  O     17.87993567     11.18911729    -10.89629407
  H     16.18701117     11.24666876    -14.07022341
  H     15.12971981      5.93859972    -10.02567657
  O     13.33200286      7.97525230    -12.44470007
  H     15.72849878      9.75719676    -14.04340773
  H     11.04916991      6.37230947    -10.25023823
  O     10.81024457      5.30924148    -13.41497253
  H     15.97392252     13.45748688     -8.83794495
  H     10.43714139      4.98045924     -9.97487429
  O     13.73417991      5.62468266    -11.07751852
  H     15.54432602     12.99133852    -10.25100240
  H     14.90127506      5.41698245    -14.67842824
  O     11.44091915      7.85664175     -9.52162935
  H     16.51212865      8.42368716    -11.67901912
  H     16.11390797      5.30918668    -15.63246209
  O     14.99825178     13.35587933    -11.86529324
  H     16.53051899      7.80273330    -10.25938379
  H     13.63591038      8.30119854    -16.57046512
  O     13.78177215     10.11468997    -16.52198494
  H     13.82836933      4.81879008    -12.77992379
  H     14.20818220      6.93366566    -16.10154048
  O     15.84459000      6.24616084     -9.44271467
  H     12.70906582      4.78715487    -13.81628518
  H     11.12996488      6.97440741    -14.22036681
  O     10.92737844      5.47836940    -10.62349684
  H     17.34609910     11.69399164    -10.26985716
  H     12.13630097      7.58459172    -15.25171439
  O     15.57451741      5.93426543    -15.15522949
  H     17.60747677     10.26686598    -10.80439588
  H     14.50826716      7.23254043     -8.37265805
  O     13.40700047      7.37372685    -16.40334700
  H     13.04410409      8.69389702    -11.86655682
  H     14.13162218      8.71385867     -8.32102681
  O     11.50720620      7.80084254    -14.54103680
  H     12.71404375      7.92932032    -13.18499531
  H     14.97338905      8.07196755    -13.04527685
  O     13.81723858      7.83295849     -8.07345748
  H     10.09308614      4.72345297    -13.64723769
  H     15.95597983      7.35781515    -13.99997403
  O     15.89188762      8.07749120    -13.36123355
  H     10.80974644      5.37919115    -12.44705165
  H     13.26746673     10.19068043    -10.29149059
  O     12.51074800     10.09840753    -10.88916159
  H     12.85117298      5.39622146    -10.76625831
  H     12.65522590     10.71424943    -11.62006623
          69
 Energy    -249.15805773721121     
  O      1.74822986     -1.66343568      4.13138962
  H      0.78744758     -1.75771948      4.16464865
  H      2.25248607      0.07557393      1.07698002
  O     -0.90328793     -6.59235865     -0.99684629
  H      1.93764293     -1.29001307      3.26233963
  H     -2.80111693     -5.82968768      2.47662981
  O     -2.31453140     -5.04538762      0.86854013
  H     -0.53701855     -7.19110308     -0.32071097
  H     -2.70677812     -5.59351128      4.00584311
  O      4.72276364     -5.68282695      5.82889174
  H     -1.15663478     -7.13916637     -1.73567031
  H     -2.32990316     -4.41100720      6.27292044
  O      3.70151803     -8.32966520      5.49729437
  H     -2.37197553     -4.16883938      0.46728642
  H     -1.18422506     -4.76536479      5.29555422
  O      0.18315458     -3.96815127     -1.39078374
  H     -1.94443962     -5.63101699      0.19329252
  H      2.97060483     -4.49384351      3.81128297
  O     -0.00315811     -8.19240609      0.95407691
  H      4.04321467     -5.05965914      5.52040464
  H      2.50886567     -3.20391468      4.56245168
  O      2.50590997     -7.87494392      2.11775845
  H      5.15264710     -5.27090662      6.57425942
  H      5.65429906     -7.12862537      3.06394693
  O      4.91478312     -8.92925526      3.13992382
  H      3.99824741     -7.43596808      5.71327175
  H      5.60119739     -5.98668729      4.08746817
  O     -0.99611432     -2.28940983      3.72583214
  H      2.74756265     -8.28430511      5.35511667
  H     -1.19578566     -3.02919385     -0.89425677
  O      0.39366174     -5.44718273      4.90665257
  H      0.94406223     -3.81602630     -0.81454440
  H     -2.49269579     -2.26389404     -1.25582473
  O      1.91105253     -0.75113589      1.40663772
  H     -0.04568533     -4.90264189     -1.31213499
  H     -1.98875759     -7.79365282      3.39135761
  O     -2.82402090     -6.27510711      3.33439088
  H     -0.53652768     -8.39972865      1.72949249
  H     -2.11574750     -9.33043188      3.50277786
  O     -2.07361269     -4.37230693      5.35491296
  H      0.91210965     -8.13330262      1.26003856
  H     -1.03356818     -1.16909953      2.22667982
  O      2.79797606     -4.11941054      4.68881002
  H      3.32048520     -8.35460594      2.30988138
  H     -1.24759568     -1.37405559      0.71097723
  O      5.79512709     -6.17808591      3.16118513
  H      2.73923149     -6.93430533      2.10819912
  H      1.56130636     -8.03010533      3.65922600
  O     -1.98802445     -2.60147646     -0.52022429
  H      4.52725213     -8.80048148      4.02502011
  H      0.16748841     -8.39511276      4.22040875
  O     -1.48415330     -8.62661545      3.38015717
  H      5.37841815     -9.76176507      3.15980914
  H      4.31954229     -5.43787376      2.36106215
  O     -0.80076571     -0.81449448      1.35770485
  H     -0.59878591     -2.95602933      3.14369009
  H      3.19318682     -4.63374612      1.55604903
  O      1.04603694     -8.08815798      4.47842575
  H     -1.52186113     -2.79391994      4.35502603
  H     -0.74796466     -4.74747948      1.82018072
  O      3.37084737     -5.27806814      2.25199733
  H      1.22589146     -4.95777565      4.96293138
  H      0.14944443     -4.93614548      3.08840685
  O      0.04561819     -4.43335306      2.27143999
  H      0.61184669     -6.38648158      4.84598251
  H      2.12907470     -2.51393407      0.83525125
  O      2.06444577     -3.45864645      0.64792751
  H      0.94009381     -0.70154112      1.33928605
  H      1.36651688     -3.80527892      1.22893743
          69
 Energy    -249.15788156348296     
  O     15.72724800     10.44879620    -16.90045462
  H     14.89683031     10.64639816    -16.45272289
  H     17.67621781      5.72235590    -16.10516826
  O     15.61931050      4.96586635    -13.51077520
  H     16.35549738     11.16577961    -16.72139189
  H     17.49882823      7.16852761    -11.10522856
  O     18.20661019     12.51805950    -10.86814919
  H     16.01824789      5.15545615    -14.37227142
  H     16.50706150      7.24393854    -12.25820379
  O     18.99377070      9.65705799    -13.98623871
  H     16.22728451      5.33060030    -12.85666382
  H     19.72470711      9.82908105    -16.88426951
  O     14.77680496      6.83888126    -17.63435802
  H     18.70529542     13.17489845    -10.39094446
  H     20.86752230     10.86301040    -16.72846861
  O     17.65842547      8.55320339     -9.79875167
  H     18.77297924     11.72779407    -10.94340876
  H     16.07402871      8.47637804    -14.32074436
  O     15.12646028      8.24529398    -12.81376823
  H     19.47521284     10.01662739    -14.74342568
  H     16.34298914      9.18423196    -15.69126541
  O     17.33041899     11.93179940    -13.46461600
  H     18.21195312      9.20119423    -14.34039650
  H     12.55834881     11.10432454    -15.63098004
  O     19.47187255      6.84778260    -13.67116056
  H     15.32937736      7.41129611    -18.17842794
  H     13.24131449      9.72076963    -15.49246398
  O     13.24634468      6.29172321    -13.50226839
  H     15.40043480      6.33562017    -17.09330023
  H     13.64847246      7.62786172    -16.46391546
  O     19.54037409      5.93536088    -16.22973866
  H     17.65519149      8.40607270     -8.85615947
  H     13.07498355      7.38991313    -15.04632473
  O     16.76011049      5.91882510    -15.87970571
  H     17.00468526      9.25350859     -9.97119946
  H     19.43682928      9.92689658    -12.16436733
  O     17.25428665      6.72351797    -11.92469881
  H     14.34301288      7.70571729    -12.97671173
  H     19.00231610      9.52188704    -10.73699810
  O     20.01255110     10.61687275    -16.38648362
  H     14.87180671      9.17476727    -12.75145154
  H     15.44202172     10.82425016    -11.06513293
  O     16.71510100      8.57979916    -15.03780229
  H     17.61364308     12.31428165    -12.62438995
  H     16.68585491     11.43148015    -10.39602915
  O     13.37015221     10.68041174    -15.36555401
  H     17.87874839     11.14770703    -13.60091629
  H     18.29332371      8.39839375    -18.08196327
  O     13.14222217      8.04374525    -15.75047201
  H     18.73295882      6.68350553    -13.06920735
  H     19.27212489      7.53367617    -17.23695695
  O     19.51439696     10.17301351    -11.23407976
  H     19.54335511      7.80713739    -13.72297637
  H     14.20623958     10.96955152    -13.70762621
  O     16.04101550     10.71657830    -10.31782940
  H     14.04158536      5.72877385    -13.51849428
  H     15.60683597     11.34546193    -13.16045455
  O     19.15333365      8.39979396    -17.64474556
  H     12.55685040      5.78102005    -13.08747883
  H     18.49782927     11.80477091    -16.35784566
  O     14.75054378     10.96913894    -12.90972991
  H     20.21558436      5.27111893    -16.33738855
  H     17.53037315     12.35430697    -15.28731112
  O     17.65242895     12.25613506    -16.24134110
  H     19.56331271      6.21119151    -15.29528994
  H     16.22737930      9.39365899    -18.21913879
  O     16.57176632      8.73302308    -18.84521288
  H     16.75759788      6.84837240    -15.60335944
  H     16.46470605      9.10248234    -19.71860754
          69
 Energy    -249.15764037015438     
  O     17.16272808      8.71926056    -16.36127169
  H     17.84509692      9.24044151    -16.82256122
  H     19.82959729     10.60519328    -17.25288011
  O     18.41118586     15.31997077    -16.97336906
  H     17.02109080      7.93202417    -16.87990437
  H     17.38473487     13.12310017    -10.28893072
  O     21.76517250     10.49358868    -14.02771074
  H     19.29418239     14.90765409    -16.92630591
  H     17.00640000     12.82432218    -11.74086744
  O     14.32875037     12.00068890    -13.95094185
  H     18.43414331     15.93825034    -17.69875636
  H     19.62556469     16.52761596    -11.46453341
  O     19.70368438     11.08007284    -10.42997620
  H     21.55743150     11.34031803    -13.60632300
  H     18.41441015     16.39236340    -12.41346670
  O     15.83395626     10.28891659    -12.21689431
  H     21.32620901      9.83204176    -13.48137558
  H     19.72970056     14.02555163     -9.92998608
  O     21.45822703     11.32614496    -16.59589870
  H     14.64464749     11.61338794    -14.78776739
  H     20.43078845     12.67532270    -10.16675760
  O     20.95309315     15.38341459    -14.07302386
  H     13.38844291     12.12577927    -14.04260142
  H     17.09766498      9.53519683    -13.19411487
  O     18.03995524     14.74467448     -9.54483615
  H     19.88672340     10.34493585    -11.02471072
  H     17.58035036      8.97391384    -14.58664529
  O     20.71266217     12.84393867    -13.02363480
  H     18.80798574     11.38707344    -10.62710604
  H     21.03077231     13.20938387    -16.57777075
  O     15.37554957     10.98241914    -16.21751010
  H     16.22775333     10.91027818    -11.59059865
  H     21.09358800     14.54746345    -15.78148487
  O     18.95166292     10.35975131    -17.56888169
  H     15.21768691     10.80747346    -12.74906471
  H     21.28580669     15.12455891    -10.94351857
  O     17.20973014     12.39565142    -10.89736739
  H     21.56974091     10.97301856    -15.69622684
  H     22.21710083     16.35582756    -10.87645010
  O     18.66105337     16.53437044    -11.49067438
  H     22.26312718     11.12091512    -17.06638307
  H     18.13499305     15.70000702    -15.13353471
  O     20.55392625     13.63439415    -10.24883962
  H     19.99681527     15.54242834    -14.09128659
  H     17.55697786     15.01797477    -13.87034972
  O     17.87226593      9.27523056    -13.71768489
  H     21.27606315     15.71708291    -13.22681056
  H     20.21166038      8.01921975    -11.95450930
  O     20.82026836     14.14951165    -16.61836861
  H     18.14695011     15.42185507    -10.23646423
  H     19.32742246      8.96409680    -12.80009238
  O     21.49417257     15.97441395    -11.36799421
  H     17.73456119     15.19554676     -8.76223178
  H     18.34160941     10.98965356    -14.19648215
  O     18.16410708     15.71142656    -14.16870132
  H     20.57843971     12.99591907    -12.08220123
  H     19.30634224     12.19246526    -13.94745974
  O     20.15129262      8.91198819    -12.28523416
  H     20.86515179     13.70656077    -13.42991628
  H     17.67770959     13.58355738    -17.01584662
  O     18.51078040     11.91351708    -14.41893258
  H     15.83671277     10.13819994    -16.27097559
  H     17.92770418     12.39922781    -16.05063682
  O     17.49969069     12.64654296    -16.88675566
  H     16.00036895     11.63954703    -16.55687744
  H     15.73904515     13.17861889    -13.57529048
  O     16.60489658     13.55662597    -13.37873545
  H     18.44364446     11.18279465    -17.56881137
  H     17.26000341     12.95494610    -13.76879898
          69
 Energy    -249.15742779279282     
  O     13.71355828      8.25420438     -9.26412072
  H     13.53530642      8.82453750    -10.03248893
  H     17.24259799     11.17249320    -14.12773663
  O     16.74224250     11.03273629    -10.74298245
  H     13.08329089      8.49501522     -8.59027996
  H     14.83558809      8.68593415    -12.20028799
  O     18.62912305     10.76346007    -12.92951537
  H     16.00033563     11.47396054    -11.17415358
  H     15.12478558      7.18606083    -12.08602646
  O     10.69873601     10.96521856    -14.95935184
  H     17.45480990     11.04193637    -11.39185232
  H     13.96831702      6.66113631    -10.24234866
  O     16.60153842      4.93343569    -11.53785818
  H     18.57019546      9.80294183    -12.78696827
  H     13.40911478      5.95844441    -11.51835981
  O     11.93474926      8.76054840    -13.72840402
  H     19.55657631     10.98596482    -12.92938545
  H     16.45020768      4.66848664    -13.22978989
  O     14.67993977     11.91666983    -12.50764834
  H     11.25725391     10.77118368    -15.73474891
  H     16.74363289      3.68913246    -14.38506327
  O     14.54872617     12.26440191    -16.34621101
  H      9.82541052     11.15890969    -15.28898777
  H     11.97379128      6.96268578    -13.08673110
  O     13.77289997      5.17688356    -15.13678491
  H     17.22475384      5.45753923    -11.02273804
  H     12.69036535      5.71160650    -13.63164319
  O     15.97782185      8.52064881    -15.15554826
  H     15.72074228      5.15683752    -11.20027944
  H     18.45191692      7.62684017    -11.65548213
  O     13.45329983      7.89494924    -15.94620686
  H     11.38071889      9.48502301    -14.04429129
  H     17.23227315      8.10784617    -12.45488828
  O     16.41760332     11.16830945    -14.62793662
  H     12.47715333      8.48777041    -14.48179763
  H     17.52229555      5.95701430    -14.75693635
  O     15.40817559      7.98760853    -12.54072856
  H     13.94879721     12.36703041    -12.95561588
  H     18.28173691      7.13467480    -14.12027260
  O     14.16794233      6.00109371    -10.91655180
  H     15.29085287     11.65212713    -13.20796315
  H     18.85380883      6.52067712     -9.31456128
  O     16.34059985      4.53192002    -14.18861946
  H     15.26707887     11.93784631    -15.78076403
  H     17.65215253      7.40927101     -9.71694983
  O     12.23712857      6.06280869    -12.85571719
  H     14.94470661     12.87994321    -16.95888152
  H     12.80062767      9.47016949    -16.75208445
  O     18.20180618      8.09822732    -12.45937555
  H     14.66787666      4.98929214    -14.81381287
  H     13.22710198     10.95961928    -16.82224618
  O     18.04661111      6.73860901    -14.97048773
  H     13.48366005      4.39392785    -15.60117618
  H     15.61510494      8.51102268     -9.16164004
  O     18.27254510      6.72855079    -10.04032256
  H     16.74170223      7.95155049    -15.32112611
  H     16.64021540      9.51311894     -9.73861859
  O     12.47350117     10.36402938    -16.91940354
  H     15.68649421      8.30911386    -14.25374891
  H     13.27334332     12.78940197    -14.97370787
  O     16.55825334      8.66129938     -9.28477592
  H     13.46226772      6.94082258    -15.80996889
  H     11.96142619     12.29956027    -14.34119427
  O     12.72447782     12.86799941    -14.18325442
  H     14.36800444      8.17959921    -15.79643365
  H     12.83099602      9.37504961    -12.28672868
  O     13.40421576      9.67768122    -11.56832931
  H     16.26912191     10.24705678    -14.89178338
  H     13.78754597     10.52519528    -11.83288146
          69
 Energy    -249.15722731181472     
  O     16.02606500     14.77086067    -10.90052292
  H     15.58495128     15.55996783    -10.59491261
  H     15.37565404     10.45960706    -13.73841666
  O     18.43727352      6.72512889     -5.98300459
  H     15.37033807     14.05833731    -10.84708123
  H     18.22767737      7.64932825    -11.88275510
  O     15.75872725      6.31675248     -5.87545322
  H     18.54519077      6.96830114     -6.91403431
  H     19.48707731      8.46089819    -11.47596317
  O     12.57885103     11.12835838     -9.06767832
  H     18.60898350      7.53274224     -5.48365133
  H     17.75102435     12.74345715     -9.40999760
  O     18.10996173     11.36596105    -12.33108410
  H     16.73260196      6.35718834     -5.87099025
  H     17.55501807     13.87246758    -10.43962185
  O     20.40381192     11.48779696     -9.55069879
  H     15.51405394      5.48372126     -5.48285050
  H     17.51606211      9.31450380     -4.82154893
  O     16.72468884      7.50460492    -13.03784506
  H     11.68111696     11.25732452     -8.77280670
  H     18.71240395      9.63217890     -3.89489963
  O     15.48155243      7.70084498     -8.30385491
  H     12.53918435     10.52001029     -9.82832438
  H     13.32475277      8.89362995    -11.20086795
  O     16.95008816     11.53005234     -8.22605507
  H     18.15788820     12.08866011    -11.69014499
  H     12.87731053     10.08436567    -12.06648818
  O     14.36580969     12.51830106    -10.76850770
  H     18.95168886     10.89466840    -12.27751355
  H     15.72512249      9.58976474    -10.77028466
  O     14.67644248     10.22437189     -7.34975439
  H     19.78460740     12.20833757     -9.72260179
  H     16.84837781     10.57907741    -11.24077566
  O     16.22092428     10.02759200    -13.90700546
  H     20.10669156     11.05616838     -8.73846767
  H     19.07899811      9.95882439     -6.44775090
  O     18.90694476      7.73885015    -11.20471327
  H     16.72206783      6.88727932    -13.76471789
  H     18.93491913      9.31031591     -7.84632306
  O     18.17314738     13.18290070    -10.16156907
  H     16.53805246      8.38331061    -13.41424717
  H     18.54918775      7.71685337     -9.48734200
  O     18.48831616      9.34520567     -4.77603486
  H     15.47212579      7.11568730     -7.53617778
  H     17.32439982      7.80068218     -8.52672812
  O     12.63595087      9.56889502    -11.28870899
  H     15.17888686      8.56724349     -7.99666771
  H     15.09896859      7.67383790    -10.08423924
  O     16.15343697     10.43286930    -10.58592859
  H     16.71602704     11.05386643     -9.04021979
  H     15.49893232      7.60779906    -11.61274620
  O     19.18664668     10.12937428     -7.39100086
  H     17.72838112     11.08915298     -7.85741053
  H     20.54910964     10.50592933    -10.96994970
  O     18.28928448      7.80720789     -8.55903324
  H     15.04143263     11.82385201    -10.70801470
  H     21.37824830     10.03388280    -12.18889730
  O     14.86577237      7.96391551    -10.97783291
  H     13.68311673     12.26162465    -10.13742517
  H     15.30253666      9.53319088     -5.70687344
  O     20.50461611     10.01028047    -11.80840570
  H     13.92562412     10.54514266     -7.86208155
  H     15.64841286      8.12279050     -5.19156259
  O     15.78299493      9.06201011     -5.01414221
  H     15.42980875     10.79721037     -7.55763142
  H     13.34149862     11.98451004    -13.86357559
  O     13.75552528     11.38676808    -13.24494511
  H     16.90174483     10.60436487    -13.53328328
  H     13.94613990     11.90323486    -12.44564794
          69
 Energy    -249.15716838673521     
  O     -8.52886747     -1.93563547      5.40961687
  H     -7.63378835     -1.83762239      5.75139969
  H     -6.84910268     -0.54553422      2.86857176
  O     -9.80593823     -0.60849511      2.27264448
  H     -8.96267056     -1.07326118      5.49001481
  H     -5.27080649     -1.60048296      5.40122973
  O     -8.99869927     -3.19558016      3.09161324
  H     -8.98517909     -0.26761669      2.66249966
  H     -5.31908752     -2.04203619      6.88450380
  O     -5.34622209      1.07301589      0.15920110
  H     -9.79611714     -1.55014856      2.47450508
  H     -0.58612297      2.41044485      1.62290922
  O     -6.27973541      1.12859838      5.64463118
  H     -8.85086932     -2.79555147      3.97037798
  H     -1.83027494      3.12825866      2.20111310
  O     -4.43878223      5.48915751      1.15885765
  H     -9.40897160     -4.04248525      3.24017150
  H     -9.24990364      3.47027368      4.03117372
  O     -9.69503430      0.60741832      5.52264105
  H     -5.67843403      0.23902238     -0.19366629
  H     -7.90536185      4.23654531      3.95227590
  O     -4.49506558     -1.61082818      3.85075073
  H     -6.11583295      1.55837918      0.48396049
  H    -10.34356334      1.21305397      2.67693357
  O     -3.59180212      3.27096183     -0.18247620
  H     -6.93318708      1.59099441      6.18400573
  H     -9.36535958      2.32132197      2.30962045
  O     -6.68396021     -1.31342149     -0.59362168
  H     -6.10811808      0.26024941      6.02982878
  H     -6.57658335     -2.03759991      1.14241890
  O     -3.62250056      0.63152824      2.33699863
  H     -4.16829420      4.72946635      0.61254782
  H     -7.36076845     -2.67259404      2.33705481
  O     -7.25827680      0.29666197      3.10109405
  H     -4.35308234      6.26534230      0.61189870
  H     -8.55903561      1.08338238      0.07071677
  O     -5.78859142     -1.53871406      6.22518420
  H     -9.87205259      1.09294222      4.71072851
  H     -9.34651574     -0.14928646      0.53253325
  O     -1.53913961      2.40015430      1.62277315
  H     -9.32239505      1.25937048      6.12835586
  H     -8.41757843      3.21282918      7.63368893
  O     -8.62672726      3.99644920      4.54743794
  H     -4.08501419     -0.86451214      3.39564650
  H     -8.38140979      3.22747378      6.08497804
  O    -10.06839965      2.10307289      2.93464484
  H     -5.09316045     -2.01539236      3.20691252
  H     -3.29669561      3.83496506      3.64327033
  O     -6.53100126     -2.24724978      2.08330700
  H     -4.18572969      2.51106265     -0.22841017
  H     -3.18840331      4.91144987      2.55031014
  O     -8.87886679      0.22374047     -0.22854322
  H     -2.80670552      2.96077937      0.28598595
  H     -4.30480617      1.91113318      3.45915522
  O     -8.25971650      2.66372215      6.87135169
  H     -7.51645583     -0.80894657     -0.54609672
  H     -5.15331436      2.15055260      4.72682770
  O     -2.65883681      4.36132615      3.14001661
  H     -6.68110750     -1.76761524     -1.43199945
  H     -7.48535850      1.57455760      1.96635291
  O     -4.64243038      2.60407722      4.04293819
  H     -2.80717163      1.09222022      2.10094764
  H     -7.25901235      3.09064072      1.70468876
  O     -7.64015983      2.28864626      1.32167107
  H     -4.21816724      0.71766415      1.57977133
  H     -5.82596896      3.70307232      3.24262059
  O     -6.42109883      4.29186454      2.75296578
  H     -6.98675542      0.53723795      3.99445468
  H     -5.85258846      4.84970180      2.20851982
          69
 Energy    -249.15715071978514     
  O     14.52547981      8.56027847    -15.22039768
  H     14.81969181      8.66095956    -16.13228948
  H     16.91288751      3.05107265    -17.80318271
  O     14.18831418      2.42161883    -16.07291175
  H     15.32964385      8.56116915    -14.68200224
  H     20.33101721      4.89712794    -16.35653777
  O     18.06510842      6.27620180    -12.01902358
  H     15.08166758      2.36076740    -16.45947542
  H     21.49926170      4.17153142    -15.64502434
  O     19.59915291      5.46990431    -17.82601657
  H     13.70059943      1.65939758    -16.37071337
  H     17.72063151      7.06086688    -16.65046775
  O     17.35303837      4.31460346    -19.13776327
  H     17.71790451      5.39186063    -12.20218887
  H     18.66702345      8.27397270    -16.40685359
  O     13.52490072      6.56518977    -11.21946449
  H     17.59289217      6.89753397    -12.59301623
  H     15.90412735      5.62416226    -16.00743776
  O     14.53747219      3.69156136    -13.58946636
  H     19.26844189      6.37073645    -17.71708896
  H     17.24002472      5.04491322    -15.45076590
  O     16.91412914      7.98061595    -13.89154638
  H     18.90010682      4.99911738    -18.29688348
  H     13.47303011      6.43457732    -13.09293685
  O     18.13968328      3.51412773    -14.94900091
  H     16.65358511      4.98774498    -19.06391597
  H     13.81897813      7.12477747    -14.43815040
  O     13.56604234      3.70092026    -10.95945208
  H     17.37702045      4.04964197    -20.05409232
  H     15.09424210      3.41656432    -10.13107806
  O     19.38372132      8.98943283    -14.86978434
  H     14.41680108      6.53117918    -10.83096691
  H     16.01163166      2.78845460     -9.05381892
  O     16.67650889      2.47552396    -17.06604489
  H     13.04318904      7.23010394    -10.73377789
  H     13.72699412      5.58978179    -15.77622589
  O     20.65553239      4.58836031    -15.49092728
  H     14.23631002      4.59055362    -13.78446949
  H     14.03065682      4.22938448    -16.46624484
  O     18.18861091      7.78897626    -17.09217515
  H     14.39101852      3.15887110    -14.37987867
  H     19.65479116      6.51168234    -13.01221478
  O     16.77767608      5.86166077    -15.67565228
  H     17.69882904      8.46199404    -14.18289496
  H     20.46337301      5.99847948    -14.23932364
  O     13.55378771      6.27983534    -14.04226064
  H     16.81854834      7.21545525    -14.48268759
  H     16.85977294      3.46840970    -11.49641609
  O     16.00780377      3.38958022     -9.79335010
  H     17.90600039      3.46301233    -14.01246880
  H     16.17046427      3.70049074    -12.85765500
  O     14.12101114      5.18629679    -16.56036149
  H     19.06190099      3.78906995    -15.02628717
  H     16.77351037      6.41172117    -10.61901614
  O     20.30715928      6.76730905    -13.67841204
  H     13.36677406      4.64518092    -10.93789323
  H     16.04901198      5.32218130     -9.81722452
  O     17.03569032      3.68616582    -12.41918739
  H     13.78538150      3.51836048    -11.88387515
  H     14.78223791      5.78624647    -18.14292449
  O     15.98918840      6.24881755    -10.08041466
  H     19.90421871      9.75287107    -14.63756608
  H     15.43374349      7.07282352    -18.66426391
  O     15.34800587      6.13105001    -18.84893945
  H     19.80193242      8.21929389    -14.44117855
  H     16.66289687      8.54331473    -17.65727489
  O     15.74966486      8.79639418    -17.87319266
  H     17.25733663      2.72018233    -16.33162197
  H     15.80024715      9.61155557    -18.36678008
          69
 Energy    -249.15666666871834     
  O     11.21637199      9.86166650     -9.82512846
  H     10.83189806     10.45031620     -9.18164173
  H     17.18765208     12.55791510    -13.21796115
  O     13.54923614      6.44115462    -16.37068962
  H     10.80639640     10.07326899    -10.68343076
  H     16.05238121      7.15968415    -13.25910495
  O     18.16357888      8.20574569    -10.65622036
  H     13.22778770      6.01781539    -17.16188151
  H     16.20911469      8.67559013    -12.91776674
  O     12.77069951     10.05084930    -13.54756161
  H     14.23234212      5.85553098    -15.99367938
  H     10.24051284      7.14731450    -11.20477558
  O     15.52252822      5.57231867    -12.54574772
  H     17.99656554      7.25880556    -10.58846601
  H     10.85219009      7.95692619    -10.04849328
  O     12.12812618      7.44281423    -14.17354048
  H     18.68271846      8.31114283    -11.46632975
  H     18.86035913      5.36285871    -14.19554987
  O     16.30669612      9.97879764    -11.59564968
  H     13.17482284      9.89107758    -12.68489888
  H     19.39554963      6.47534801    -13.29400051
  O     15.39665878      8.58398018    -16.13265173
  H     13.42202147     10.50505448    -14.10029585
  H      8.95887404      7.05574522    -13.52044776
  O     15.49652818      4.96197756    -15.26235225
  H     14.70889824      5.83985792    -12.09558132
  H     10.46327825      7.41035591    -13.49955317
  O     19.10515649     10.42100280    -15.16210696
  H     16.21215833      5.41941989    -11.88803770
  H     19.35179281      9.02091119    -13.89323589
  O     18.08866359      8.14192499    -16.68347799
  H     12.56884994      7.09123329    -14.95581595
  H     18.17046174      8.12094862    -13.50022147
  O     17.17185616     11.66613624    -13.55827495
  H     12.37839388      8.37473650    -14.07724535
  H     18.64673586      5.03464314    -16.68879489
  O     16.32156229      8.01703608    -13.61465211
  H     15.41684948      9.82876000    -11.24877160
  H     18.20498441      6.43982742    -16.22959443
  O     10.76209462      7.06113762    -10.39626592
  H     16.92762778      9.41209686    -11.11170923
  H     18.34737002      5.32128902    -11.79148284
  O     19.19521470      5.52857533    -13.30649049
  H     15.71261632      8.36864434    -15.23862044
  H     18.17367330      4.66299600    -10.40143421
  O      9.62821168      7.50522398    -13.01097467
  H     14.72849217      7.92511362    -16.34980616
  H     14.98143965     10.30211869    -15.60495151
  O     19.10434332      8.30009746    -13.30586408
  H     15.48906092      5.02603013    -14.29725839
  H     15.58237703     11.35817704    -14.65432063
  O     18.19664272      5.49777275    -15.98630472
  H     16.41156029      5.09931298    -15.53622552
  H     12.36709878      6.63594030    -11.12330214
  O     17.81728770      5.33757122    -10.97327762
  H     18.42762848     10.88526838    -14.64536998
  H     12.84175625      6.84095230    -12.58320219
  O     14.76889215     11.10029142    -15.09964940
  H     19.67922214     11.09153543    -15.52473715
  H     13.61865086      8.36457443    -11.16377525
  O     13.15476611      6.65868446    -11.68547612
  H     17.13890640      8.32912592    -16.67143184
  H     12.94883612      9.57262404    -10.46172913
  O     13.71846429      9.30995052    -10.98193259
  H     18.50259758      8.89504841    -16.24942255
  H     11.04469474     10.32447229    -12.86734811
  O     10.24300628     10.22051872    -12.33528313
  H     16.88325107     11.09770031    -12.82306583
  H      9.86498170      9.37205972    -12.59772758
          69
 Energy    -249.15665203058003     
  O     12.39429399     11.54561556    -14.66445050
  H     12.93847560     11.04966876    -15.29207504
  H     20.67464964      7.43300522    -13.59003183
  O     15.93823703      6.68764040    -13.37122303
  H     12.97335992     12.21691605    -14.28660947
  H     15.34140106     11.62687570    -16.13860389
  O     17.55751159     10.08790541    -10.89679269
  H     16.09905561      6.34031997    -14.25825584
  H     16.75257058     12.11935192    -15.71321929
  O     18.54287822     11.59164979    -15.45151930
  H     15.74738292      7.62928266    -13.51822987
  H     16.60571185      9.26448867    -14.44780698
  O     13.58344346      7.36605515    -16.60678619
  H     16.76804155     10.53950364    -11.23077207
  H     15.73589070     10.01980767    -13.35675939
  O     14.20344276      8.89845887     -8.72854257
  H     17.41383117      9.94542929     -9.95319454
  H     11.50919764     10.45725958    -13.68211966
  O     13.70218516      6.73185151    -11.80820658
  H     19.23596108     12.12482170    -15.83296036
  H     10.16719948      9.99467581    -13.06214000
  O     15.29474716     11.16161196    -11.99488525
  H     18.81290764     11.39547862    -14.53644295
  H     17.12696935      7.58131672     -8.74297285
  O     16.30531787      6.50877854    -16.08933822
  H     13.04378378      6.85788952    -17.20697090
  H     17.51622535      6.80622643    -10.01386555
  O     14.44830242      6.07315919     -9.17223346
  H     13.12741849      7.35048805    -15.74623303
  H     11.81779955      8.18903808    -13.89773045
  O     18.02611186      8.81979503    -15.54775152
  H     14.15522891      7.93523993     -8.77463839
  H     12.68954696      7.03073981    -13.39306953
  O     19.92707516      8.02470031    -13.59436723
  H     13.77685618      9.22016313     -9.53318384
  H     18.78576906     10.65513694    -12.19571220
  O     15.82928664     12.38701777    -15.79478159
  H     13.87573206      6.39892198    -10.91976860
  H     19.70684281      9.89099625    -13.16146185
  O     15.74321877      9.31270160    -14.01218088
  H     14.50610314      6.57815482    -12.32737899
  H     17.29711377      7.10313922    -12.27458655
  O     11.09602921      9.78653122    -13.10811519
  H     14.98557454     11.94589153    -12.46408021
  H     17.80112611      8.35692786    -11.47592934
  O     17.09351380      6.70705896     -9.15135099
  H     14.52427372     10.63131218    -11.74076516
  H     16.94269805      9.82740205     -7.41483123
  O     12.30152236      7.40833901    -14.19213533
  H     15.42384295      6.81089760    -16.34408883
  H     15.86528103      9.31220040     -8.39983550
  O     19.32969891     10.76220873    -12.98679212
  H     16.87631159      7.28685218    -16.10590141
  H     12.42529266      9.63864762    -11.82126673
  O     18.01939548      7.44698798    -11.72795076
  H     14.27619312      5.32201225     -8.61092080
  H     13.44097420      8.52191789    -11.50578726
  O     16.82482988      9.42381244     -8.27030729
  H     15.41219002      6.21292904     -9.16742018
  H     14.98008264     13.02701001    -14.43181887
  O     13.22584237      9.44725050    -11.31751767
  H     18.25469223      9.73983119    -15.73138859
  H     14.44488681     14.21485182    -13.59392722
  O     14.45218774     13.26318916    -13.64656190
  H     18.71897564      8.47533919    -14.96835424
  H     14.71775549      9.80871416    -15.37409128
  O     14.23938675     10.07088151    -16.17718515
  H     19.32265944      7.71984608    -12.89579847
  H     13.95740221      9.23725114    -16.56909582
          69
 Ord_Energy   -249.156570    
 O   -4.69367123       5.07731152       3.25336862    
 H   -4.45876026       5.48534441       4.09309816    
 H   -5.07115650       5.80431938       2.73568368    
 O   -5.35568762       7.76582050     -0.850448310    
 H   -5.28977108       7.53697300       9.07109305E-02
 H   -6.00091171       8.47998714     -0.892458320    
 O   -2.40246773       7.48120308       2.09719253    
 H   -1.93304265       6.86712551       1.51667905    
 H   -2.05638337       7.36849928       2.99114275    
 O   -6.86881018       10.1746998     -0.481631547    
 H   -7.59758329       10.6111546     -0.914405704    
 H   -6.06643248       10.6811552     -0.703011572    
 O   -1.75187409       6.58002663      -2.22608662    
 H   -2.11986899       7.46837854      -2.08552766    
 H   -1.35554945       6.58029842      -3.09342456    
 O   -1.53539991       9.67357063      0.782307088    
 H  -0.604388535       9.70990181       1.02790070    
 H   -1.90471232       8.93749523       1.29746068    
 O   -5.12409258       7.38805914       1.82857263    
 H   -5.45064259       8.26998138       2.04660392    
 H   -4.16268826       7.40580416       1.96058667    
 O   -1.03040802       5.77046919      0.373747051    
 H   -1.18909347       6.02467108     -0.543663323    
 H   -1.68979609       5.10220146      0.609291553    
 O   -3.46631598       11.4002800       1.74860299    
 H   -3.24488521       11.5495558       2.67633581    
 H   -2.74516344       10.8584862       1.39545095    
 O  -0.577112079       9.74322319       4.30920696    
 H  -0.815554321       8.83665466       4.54845572    
 H    9.52993985E-03   9.67434502       3.54759550    
 O   -5.88084269       10.0316505       2.20848441    
 H   -5.05990934       10.5190792       2.04330277    
 H   -6.39847469       10.1027889       1.39767694    
 O   -2.91588140       8.98022556      -1.53681183    
 H   -2.40506601       9.22413063     -0.750594079    
 H   -3.74709272       8.56937122      -1.25247836    
 O   -3.12085772       4.12548304       1.19442105    
 H   -3.56750464       4.38174677      0.375158578    
 H   -3.67887998       4.41278219       1.93389249    
 O   0.152124733       4.87878942       4.20024633    
 H   0.748642206       4.43006372       4.79429007    
 H  -0.330030829       4.18736506       3.71504354    
 O   -4.47050571       11.3826818     -0.924859703    
 H   -3.87734723       10.7281666      -1.31188822    
 H   -4.11387920       11.5860891      -4.98835407E-02
 O   -4.08882999       5.21792078      -1.17828739    
 H   -4.68459702       5.97710705      -1.15855229    
 H   -3.31724024       5.52826309      -1.66625047    
 O    1.01302493       6.61575556       2.04680610    
 H   0.864110231       6.05652571       2.81645131    
 H   0.413979411       6.27417612       1.36715448    
 O   -1.22211671       2.96262622       2.81890392    
 H   -1.91378582       3.29273725       2.22362876    
 H   -1.26847279       2.01132822       2.76458716    
 O   -4.07857084       6.78841591       5.53921604    
 H   -4.50585794       6.63767385       6.37852001    
 H   -4.35614347       7.67464876       5.24489260    
 O   -1.45187449       7.12242460       4.69544983    
 H  -0.935842276       6.30933857       4.62745142    
 H   -2.30780125       6.91652679       5.09516048    
 O   -4.73160839       9.31700134       4.73554993    
 H   -4.04917812       9.99959660       4.74475431    
 H   -5.31227589       9.54877949       4.00136757    
 O    1.00767183       9.33130455       1.95080197    
 H    1.89807200       9.63613701       1.79862964    
 H    1.04930580       8.35881233       1.99081516    
 O   -2.73522806       11.3509645       4.47128725    
 H   -1.92906404       10.8056383       4.42132616    
 H   -2.56432033       12.0362492       5.11175442    
          69
 Energy    -249.15622561036088     
  O     14.34219438      0.56221430    -10.25605985
  H     13.38240871      0.69297992    -10.32103067
  H      7.25458202      3.75484335    -12.13966928
  O     11.66009671      1.20377967    -10.45591113
  H     14.47721579     -0.36239479    -10.06164208
  H      9.31173431      5.68558919     -9.93584267
  O      8.22972689      4.50457031    -13.35948191
  H     11.58983659      1.75864652     -9.66491819
  H      9.11445097      7.21575713     -9.93392287
  O     16.43745523      4.20323060    -11.23469819
  H     10.76768555      1.17727519    -10.82721146
  H      9.83346572      3.56355969    -11.05683440
  O     11.23313220      3.03891248     -8.43776891
  H      8.71842685      5.33618374    -13.26867051
  H     10.88437570      4.68880617    -11.28499986
  O      9.20803590      1.77435046    -11.64234544
  H      8.81795664      3.89731015    -13.82011702
  H     15.20354400      2.01567016     -9.33585899
  O     12.42630133      2.43278084    -12.93790507
  H     16.25401264      3.70918291    -10.41414093
  H     14.97325439      3.36427830     -8.60732739
  O     12.15256479      5.17805420    -12.49770484
  H     17.36903972      4.40599440    -11.23324890
  H     10.93669479      2.41003626    -13.92873174
  O     12.47745506      7.83028985     -9.71320397
  H     10.91811522      3.57453123     -9.18483250
  H     10.06817034      1.99207217    -15.13468474
  O      7.25083473      4.20556638     -8.83099731
  H     10.50979148      3.02395624     -7.80002162
  H     12.76890490      3.94213317     -8.20465514
  O     10.10274071      8.50250600    -10.85710870
  H      8.30311783      2.08017568    -11.49931536
  H     13.32729360      5.29352552     -7.69538577
  O      6.80629595      3.20490961    -11.46990433
  H      9.38253172      1.87231860    -12.58850195
  H     15.59944701      2.81932673    -12.27247258
  O      8.83655127      6.40533433     -9.49220459
  H     12.16482822      2.07047258    -12.08184528
  H     14.98091191      1.47457739    -11.84864471
  O     10.26794386      4.31620482    -10.64088448
  H     13.38641674      2.31822793    -12.99573342
  H     13.91141795      5.27577189     -9.82096313
  O     15.64564598      2.82132233     -9.04205863
  H     12.31503786      4.26393278    -12.76322488
  H     14.96669841      5.34643834    -10.94759236
  O     10.02640078      2.39065042    -14.26902856
  H     12.87685365      5.42931993    -11.90801169
  H      8.28310054      3.59989030     -7.55712645
  O     13.56147750      4.49730454     -8.18855611
  H     13.12538663      7.25438017    -10.13715398
  H      8.44811835      2.94142128     -6.16767882
  O     15.09919117      2.06386291    -12.60466089
  H     12.49729864      7.59620706     -8.77742678
  H     12.75217580      7.34960619     -6.24131505
  O     14.13041365      5.72415213    -10.65073471
  H      7.60726057      5.08443789     -9.02349064
  H     11.61915527      6.56608646     -6.94861787
  O      8.93343915      3.36439563     -6.87051331
  H      7.03815754      3.82165613     -9.68944543
  H      9.89564869      7.38219668    -12.41051208
  O     12.55089255      6.84302187     -7.02326205
  H     10.04814764      9.45281592    -10.90990914
  H     10.74439047      6.26881096    -13.04284469
  O      9.88391238      6.70707770    -13.09808129
  H     10.97210255      8.29387692    -10.47062182
  H      9.65570323      5.17013956     -6.75869459
  O      9.97870176      6.05388049     -6.96387141
  H      5.91914342      3.05882770    -11.78748292
  H      9.56128886      6.29242146     -7.80375607
          69
 Energy    -249.15585528431626     
  O      9.59197435     12.73458144    -10.73855287
  H      9.81498015     12.47286093    -11.64031812
  H     16.18667541      8.48847116    -11.03098207
  O     10.56858664      9.11546371    -11.54798290
  H     10.31250877     13.29706678    -10.41840776
  H     14.87416672      7.44615214    -12.68190836
  O     14.15967980      8.21138985    -14.03832955
  H     10.02810863      9.42743033    -10.81277877
  H     15.43566064      6.18625830    -11.97785473
  O     12.97332549     13.12596511     -7.37600968
  H     11.37834055      8.74884169    -11.16356192
  H     14.61295401     14.45528751    -11.46365624
  O     13.44952517     10.11599730    -16.35466453
  H     14.40235751      9.14702256    -14.03790685
  H     13.98029594     15.73052115    -12.07515276
  O     13.36696235      8.65546681     -7.76437494
  H     13.19161747      8.16283947    -14.04170858
  H     13.28835687      9.21287609    -10.53206989
  O     13.46559671     10.98907870    -10.40168675
  H     12.43645125     12.33562676     -7.56192158
  H     13.70680106      7.77690233    -10.95745678
  O     11.69647621     10.88775598     -8.24753346
  H     12.69008332     13.46053237     -6.52891989
  H     16.94253974     10.58116966    -11.77392861
  O     16.00618975     13.54123248    -11.00554984
  H     14.02401381     10.58539427    -15.73106502
  H     18.03140779     11.27082180    -12.62666393
  O      9.19809746     10.43699792     -9.42364863
  H     13.64303405      9.18959283    -16.19229105
  H     10.54097717     10.64970496    -12.59270583
  O     13.05678239     12.39099208    -12.76311323
  H     13.21599459      8.29799702     -8.65079342
  H     10.50562842     11.21789883    -14.03799111
  O     16.62333667      9.27515946    -10.68071705
  H     12.73250713      9.37934282     -7.68783649
  H     15.59480572     11.38442733     -8.28100806
  O     15.20328247      7.09894710    -11.83205255
  H     14.19164043     11.41044400     -9.92720614
  H     14.60490389     12.58564751     -8.11131631
  O     13.76880642     14.87526787    -11.71168969
  H     13.32011969     11.48944949    -11.21391620
  H     15.72958366     11.06488948    -13.65416671
  O     13.01498545      8.28089082    -10.51452016
  H     12.22618002     10.94071508     -9.05903856
  H     14.24296677     11.48444949    -13.68756387
  O     17.10339549     11.30287845    -12.40809624
  H     10.79049862     10.70474672     -8.52282711
  H     10.28666561     10.56394394    -16.52875884
  O     10.49801999     11.47012531    -13.10616303
  H     15.89058355     13.16723032    -10.12079350
  H     11.73543260     10.44179277    -16.00701389
  O     15.31878734     12.23019332     -8.65735256
  H     16.40310725     12.84248330    -11.53872445
  H     16.44383217      9.21139945     -7.20482220
  O     14.90844002     10.94829165    -14.14484299
  H      8.29724906     10.34704314     -9.12669101
  H     15.01579941      9.22236005     -7.79890892
  O     10.80461332     10.49756230    -15.73066013
  H      9.26642702     11.30327080     -9.86948784
  H     12.20040974     13.96757424     -8.99073838
  O     15.91144199      9.59026893     -7.89936579
  H     12.11946584     12.20048722    -12.90402549
  H     12.44341132     14.52623456    -10.40661005
  O     11.75355590     14.22204486     -9.80441915
  H     13.16766474     13.31463700    -12.50821660
  H     11.06865600      8.87211090    -14.69344838
  O     11.38843755      8.18276835    -14.10009231
  H     16.40593370      9.32630898     -9.74357390
  H     10.98844059      8.36895270    -13.24102603
          69
 Energy    -249.15556712265629     
  O     14.80559758      8.92483397    -16.96716846
  H     15.05147300      9.37302118    -16.14809051
  H     19.46630490      4.77219764    -14.25967065
  O     14.88379968      2.57039517    -16.51040551
  H     14.09908006      8.30968596    -16.74162053
  H     18.10253275      8.11601190    -17.38870184
  O     16.57814949      6.28393632    -11.54028348
  H     15.79751381      2.30639738    -16.66891496
  H     19.31956773      7.30123743    -16.81715551
  O     20.56907242      5.96863428    -16.98762015
  H     14.78188999      3.43540754    -16.93308119
  H     17.41576638      6.58396099    -15.91361142
  O     18.83096517      4.31369842    -18.16676604
  H     16.10134655      6.71905567    -12.26453888
  H     16.27972349      6.48672011    -14.86027340
  O     13.67702216      5.69291490    -11.09141572
  H     17.49060280      6.58379984    -11.63508514
  H     11.85809478      7.06496389    -16.61240626
  O     14.23048482      3.43834175    -14.01771774
  H     21.39511233      5.94239695    -17.46181385
  H     12.70428227      6.61916260    -15.40265535
  O     15.27714521      7.37413903    -13.67105813
  H     19.97378713      5.32959434    -17.42349045
  H     13.76888652      2.90561131    -12.32173525
  O     17.95696486      3.70641652    -14.52552627
  H     18.11838920      4.77739045    -18.63160260
  H     13.33207513      2.04578477    -11.11541579
  O     18.16086877      9.20655364    -14.19135080
  H     18.44591662      3.51599716    -17.79003520
  H     15.49948852      5.48392488    -16.71483530
  O     17.71101274      2.09789731    -16.71595274
  H     13.66943317      4.73148847    -10.99851433
  H     14.03123939      5.78818381    -17.09726944
  O     20.08674141      5.51055224    -14.19729678
  H     14.59764389      5.95714738    -10.98719926
  H     19.50113221      6.62730121    -12.98651869
  O     18.56898528      7.86184153    -16.58199486
  H     14.40088137      3.04514418    -14.88618201
  H     19.87418912      7.47584018    -11.75306838
  O     16.77029831      5.98158691    -15.52266014
  H     15.08933773      3.59717870    -13.60607312
  H     15.76416183      3.20935319    -11.69294642
  O     12.75700087      6.98191893    -16.30143002
  H     14.39591470      6.98622246    -13.73483054
  H     16.53255411      4.53670672    -11.92997690
  O     13.82469453      2.82671172    -11.35425342
  H     15.23611297      8.31292255    -13.88825033
  H     16.80444557      6.69438573    -19.20793760
  O     14.78625116      5.23615390    -17.32428434
  H     17.53613522      4.49531773    -14.90519310
  H     15.96402610      5.49534438    -18.75565487
  O     19.14306463      7.23882328    -12.31863728
  H     17.53932986      3.54675740    -13.66890308
  H     13.32133329      5.01583050    -13.98794029
  O     16.45306578      3.61701730    -12.22741081
  H     18.39502633      8.79945667    -15.03836288
  H     12.98936921      5.93657566    -12.80227265
  O     16.73807107      5.73543105    -19.28248449
  H     18.47330223      8.60273570    -13.50845500
  H     15.46840854     10.86831530    -14.07453211
  O     12.94054727      5.87996459    -13.76778556
  H     18.17008240      1.26700774    -16.62024636
  H     16.55730358      9.80040385    -14.35439478
  O     15.61128737     10.01226301    -14.46773213
  H     17.85537655      2.59479086    -15.89165106
  H     16.84812837      9.23959497    -19.34215484
  O     16.86652282      8.54029896    -18.69427843
  H     20.36045696      5.69435012    -15.10333137
  H     16.09506115      8.67504416    -18.11493013
          69
 Energy    -249.15543015447139     
  O     10.46019471      5.44160005    -12.71986776
  H     10.63268064      6.37628724    -12.88277756
  H     16.35339514      7.17110990     -9.33452146
  O     14.00188416      4.93026101     -8.13700187
  H     10.97181216      4.95931869    -13.38044200
  H     16.21816682      7.23361969    -13.93477215
  O     16.63447136      8.89805695    -13.39917929
  H     14.80948345      5.36784848     -8.44270200
  H     16.27378803      5.65034958    -13.94211785
  O     16.85267514      3.97024937    -13.20502628
  H     13.89131195      4.15265225     -8.69530120
  H     14.13996540      5.16628792    -11.86580189
  O     16.86710713      8.97253548     -9.50355796
  H     16.04445886      9.13495673    -12.67009827
  H     14.90284779      6.32884129    -12.50834225
  O     11.54738083     10.56815280    -14.30897723
  H     16.42695330      9.49843251    -14.12671572
  H     11.30035174      5.21975703     -9.66480410
  O     11.89297564      6.61546144     -8.45630375
  H     17.31293089      4.40924262    -12.46520474
  H     10.89059425      4.79588246    -11.09899805
  O     13.16327545      6.75235415    -15.02790110
  H     17.49271106      3.40366295    -13.62718831
  H     14.88876105     10.12714273    -15.73627557
  O     14.12756381      3.41713089    -12.60585723
  H     17.02912236      9.64272134     -8.84437793
  H     16.04029124     11.08339480    -16.13129577
  O     14.03156111     11.46089581    -13.18554182
  H     16.18189547      9.32473652    -10.09659156
  H     12.41103519      7.66346631     -9.90448471
  O     18.03418897      5.31929299    -11.22313057
  H     11.43060961      9.70701066    -13.87160925
  H     13.33463470      7.25904999    -11.07571733
  O     16.06442209      6.25460858     -9.42456159
  H     10.67904417     10.95229827    -14.39619940
  H     18.10693039      8.36116446    -12.33995802
  O     15.73355154      6.42228784    -14.14561048
  H     12.65594807      6.04118371     -8.26189868
  H     18.20756359      8.36953558    -10.81541385
  O     14.43857110      6.06775598    -11.70303991
  H     11.46015507      6.78891613     -7.62486074
  H     14.59842874     10.41691488    -11.86123690
  O     11.23697645      4.46381634    -10.25834280
  H     12.79380048      5.86176992    -15.00731707
  H     14.14608600      9.17549826    -11.03711783
  O     15.67103268     10.59912294    -15.39802196
  H     14.09970704      6.65508199    -14.79827868
  H     13.27813411      8.41456096    -15.90792160
  O     12.79120380      7.98614861    -10.72986756
  H     15.08028656      3.48776777    -12.75392130
  H     12.69017444      9.81687686    -15.65070438
  O     18.62564736      8.00731910    -11.60580409
  H     13.96428023      3.06174254    -11.72115668
  H     12.51869627      3.34906323    -10.11149750
  O     14.91626826      9.70177073    -11.28978972
  H     13.14776313     11.25861694    -13.51720992
  H     13.05195750      1.98106148     -9.61476136
  O     13.38180450      9.34791131    -16.13455142
  H     14.62542503     11.33536634    -13.93569615
  H     11.90294890      8.10363467    -12.30151401
  O     13.32299716      2.80212764    -10.01730909
  H     17.45708189      5.46117736    -10.46315897
  H     12.12986453      7.63220068    -13.77855705
  O     11.50995441      8.08279155    -13.18592545
  H     18.38683522      6.19671206    -11.43096626
  H     12.92397324      3.81604840    -13.86223998
  O     12.27070660      4.11802792    -14.51555799
  H     15.51874069      6.21331436    -10.22434654
  H     12.05539086      3.36372562    -15.05851322
          69
 Energy    -249.15437161070764     
  O     -4.22821532      2.34364580     -2.29250262
  H     -4.59720841      3.02905158     -1.71332668
  H     -5.70250956     -0.65501366      2.91871498
  O     -6.06671187      2.00550154      1.41105406
  H     -3.28010269      2.50531497     -2.38090226
  H     -0.80600460      0.32955011      1.78302917
  O     -3.55445627     -1.72917434      0.98278952
  H     -6.67989572      1.28915051      1.61022519
  H     -1.39848176      1.02017222      3.04733649
  O     -1.24034397     -0.25125386     -2.09947519
  H     -5.29954526      1.57601971      1.00310746
  H     -1.47106641      2.41595072      1.35638167
  O     -5.72241442      0.21576705     -3.03081501
  H     -3.71484477     -0.84193634      0.62090612
  H     -2.37729371      3.67115387      1.06312382
  O     -4.74219378     -3.29433406     -1.00475898
  H     -3.94939664     -2.36304545      0.37269843
  H      0.91498618     -1.17753259      0.39365271
  O     -3.57574288     -1.66597506     -2.79134876
  H     -0.33348661     -0.41158171     -2.39052164
  H      1.97828479     -0.08154922      0.52838969
  O     -1.44687370      2.54303174     -1.99290175
  H     -1.36466902      0.70778023     -2.08992375
  H      2.29944339      2.24572101      1.70753830
  O     -0.94341424     -1.01279956      0.58864561
  H     -5.23517099      1.03950947     -2.85726278
  H      0.91343060      1.57129632      1.67523118
  O      1.53711900     -0.51748370     -2.52480508
  H     -6.25535506      0.37385141     -3.80627960
  H     -2.79837869      0.74485044      5.09896863
  O     -7.32520955     -0.44832780      1.83290441
  H     -4.74016267     -4.20524655     -1.28325263
  H     -3.59547081      0.29524653      3.85658381
  O     -4.80761434     -0.78722819      3.24924866
  H     -4.27745146     -2.78380862     -1.69448746
  H     -6.12647169     -2.01071421     -0.77934116
  O     -0.71565369      1.09762419      2.36941455
  H     -4.25085254     -1.00533727     -2.98843892
  H     -6.44251543     -0.66959957     -1.45836473
  O     -1.96584154      2.88863725      0.67559887
  H     -2.75636299     -1.19026061     -2.60113526
  H     -4.04921376      1.20059045     -0.77528595
  O      1.82292427     -0.95344568      0.14446805
  H     -1.63900814      2.74443967     -1.06397195
  H     -3.18430322      1.53482760      0.43870220
  O      1.71609660      1.73106755      1.15421215
  H     -0.48180180      2.57253042     -2.05965651
  H     -3.82697272      4.44005153      2.36856810
  O     -2.89890963      0.90373647      4.16317628
  H     -1.77394636     -1.44135372      0.83385791
  H     -3.36741692      5.88731274      2.05625650
  O     -6.67264459     -1.21868891     -0.70005603
  H     -1.06048058     -0.72082781     -0.32677293
  H     -4.65991145      4.52090582      0.19897379
  O     -3.84322422      0.90316557      0.11896712
  H      1.72904474     -0.75741155     -1.60058421
  H     -5.74417250      3.43884821      0.19826557
  O     -3.44479801      5.01540206      1.68007843
  H      2.14531853     -1.00745318     -3.07095615
  H     -3.91300088      2.46743136      3.70183178
  O     -5.25963820      4.04091008     -0.38301703
  H     -7.11720535     -0.73797995      0.92633674
  H     -5.12908648      2.77907250      2.80252424
  O     -4.46156327      3.18782598      3.37231586
  H     -8.19715840     -0.77885872      2.03084373
  H      1.48484083      1.37086808     -2.08715079
  O      1.28384998      2.23725906     -1.71232583
  H     -4.34690607     -1.26429732      2.54332469
  H      1.43806009      2.15292580     -0.76397423
          69
 Energy    -249.15422666516235     
  O     -3.07819621      5.33651789     -1.62477253
  H     -3.61867497      5.96816945     -2.09149819
  H     -0.07033091      5.65144179      1.38750398
  O      1.47315713      2.40401160      5.24042613
  H     -3.27194512      5.44698772     -0.67602039
  H     -0.74362745     -0.41034439      3.68288107
  O     -1.30200943      2.77039202      0.71327461
  H      0.74898561      2.96787108      4.91422915
  H     -1.83214306      0.56374682      3.14968092
  O      0.36535644      2.77452622     -2.74080418
  H      1.68446850      2.71251242      6.11753153
  H     -1.16950766      5.36128281     -1.75758156
  O      0.64718746     -0.43513576      1.07344971
  H     -1.94305092      2.68518650     -0.00309080
  H     -0.00396992      4.44728525     -2.21139777
  O     -0.56356118      3.88193669      4.29775187
  H     -0.44627042      2.48390223      0.37090653
  H     -2.71648964      2.04527634     -2.06771556
  O      1.38991392      6.01589984      0.22153153
  H      0.74556072      2.42875432     -1.92053991
  H     -3.16687097      3.48481488     -1.62494774
  O     -3.51122154      5.51702339      1.04203179
  H     -0.30956183      2.13536314     -2.99504233
  H     -2.06533022     -0.90387174     -0.34299681
  O      3.19138051      1.94868360      3.06198271
  H      1.43771420     -0.66594582      1.57735890
  H     -0.53925235     -0.74762905     -0.38710023
  O      0.74348604     -0.32019145      4.68014968
  H     -0.06900824     -0.33823004      1.71635078
  H     -4.94020677      2.62307489      1.67861130
  O      2.97462170      3.83657362      0.91772705
  H     -1.28249812      3.27393274      4.07762410
  H     -5.78757764      3.41711265      2.70299182
  O     -0.81685556      5.25884273      1.85178761
  H     -0.55126601      4.51475093      3.56928642
  H     -3.35811903      2.58776249      3.03933988
  O     -1.42658603     -0.30410968      3.00512791
  H      1.63999363      6.92630988      0.08932212
  H     -2.03448660      2.36963483      2.27559409
  O     -0.20934849      5.29520463     -1.78932161
  H      0.83068095      5.76451740     -0.53875373
  H     -1.93577768      0.32517710     -3.83604043
  O     -3.16369629      2.55139351     -1.37750944
  H     -2.63753509      5.57029011      1.45201465
  H     -1.55129160      0.23903675     -2.33993091
  O     -1.32501188     -0.76859246     -0.94693738
  H     -3.99943707      4.82982778      1.51100056
  H     -3.69069040     -1.88826009      1.34689192
  O     -4.91354165      3.34956698      2.32853098
  H      2.63715084      2.18938181      3.81713957
  H     -2.64268070     -0.86678278      1.83671091
  O     -2.47188824      2.22000456      3.13037316
  H      3.11753715      2.66477989      2.42242291
  H     -4.28982623      1.72696094     -0.21398083
  O     -1.72747272      0.85696106     -3.07297203
  H      0.94266861      0.58414302      4.95415361
  H     -4.31045942      0.51458559      0.74527162
  O     -3.27505922     -1.05857170      1.12365396
  H      1.49240604     -0.59541019      4.13778305
  H      1.11436174      1.10143848      0.25389396
  O     -4.76490825      1.33825102      0.53484784
  H      3.79650693      3.97158714      0.44915910
  H      1.85403997      2.48669553      0.22613156
  O      1.18369559      1.94816058     -0.20859131
  H      2.42418603      4.61198169      0.72630299
  H      3.69360394     -1.17365864      2.81974339
  O      2.85964417     -0.71658288      2.76009441
  H     -0.97881143      4.40643946      1.41662850
  H      3.05164415      0.23620543      2.83766895
          69
 Ord_Energy   -249.154129    
 O   -2.03735065      -2.25150704     -0.909679949    
 H   -1.97285819      -1.40248191     -0.444908440    
 H   -1.12610877      -2.54635119      -1.01878023    
 O   -5.72778559      0.588077128       1.07331061    
 H   -5.35568857     -0.170068607       1.54786789    
 H   -6.02255106      0.255920231      0.218182191    
 O   0.777575970      -2.43028998      -1.32479155    
 H    1.28928924      -3.06179595      -1.82325649    
 H   0.673818588      -1.64568758      -1.89531088    
 O   -5.62477779       2.07592416       3.49089599    
 H   -4.77931690       2.53230906       3.40961146    
 H   -5.81652403       1.70579088       2.61832404    
 O   -1.75259507       6.44686297E-02  0.549338281    
 H   -2.40243340      0.775810719      0.499183089    
 H  -0.881148398      0.479290903      0.516055703    
 O   -6.18161535     -0.685162306      -1.43618107    
 H   -5.65071392      -1.39813101      -1.03355837    
 H   -7.02187395      -1.07134199      -1.67003882    
 O   0.305480748     -0.272365302      -2.87412310    
 H  -0.582854927     -0.475501537      -3.20606756    
 H   0.292181164      0.654541254      -2.61672974    
 O   -2.63404131       2.57405639      -2.00497007    
 H   -3.23354530       1.98687840      -2.47839546    
 H   -2.96477509       2.59493256      -1.09561348    
 O   0.756873608      -1.68877852       3.53772187    
 H    1.31977022      -2.35027003       3.92972183    
 H    1.10597479      -1.51291084       2.64422584    
 O   -2.78762746       2.74541759       3.18333244    
 H   -1.87036359       3.01396847       3.05234766    
 H   -2.74873543       1.95904398       3.74733067    
 O   -4.52145290      0.750591397      -3.17555594    
 H   -5.11087656      0.274591744      -2.57109261    
 H   -5.05046272      0.997648478      -3.93143845    
 O   -1.94499898      -1.43826950       2.83129454    
 H   -1.05558884      -1.69499981       3.10202670    
 H   -1.84769452     -0.913004100       2.02194905    
 O   -5.37912226     -0.201628760       4.96034718    
 H   -6.02502012     -0.277363420       5.65731668    
 H   -5.55059290      0.643582404       4.50723886    
 O   -2.28697181      -1.03649116      -3.46680164    
 H   -3.04446912     -0.442660481      -3.43593621    
 H   -2.31182384      -1.53938484      -2.64137769    
 O   0.157157406      0.924853861       4.54286766    
 H   0.462128043       5.65921701E-02   4.25173759    
 H  -0.749607861      0.796320736       4.85119581    
 O   -4.71325827      -2.53695273     -0.163429916    
 H   -3.78090572      -2.58765030     -0.417298585    
 H   -4.73859024      -2.40746593      0.792031527    
 O   -4.69436598      -1.58611083       2.54501796    
 H   -5.02700996      -1.28456748       3.39900088    
 H   -3.73394489      -1.66046727       2.64663768    
 O    1.57636106      -1.10783279       1.05228233    
 H    1.40999377     -0.178582713      0.844073594    
 H    1.34378779      -1.61146629      0.262621343    
 O    4.59431186E-02   3.02725935       2.83751416    
 H   0.568967819       3.75090957       3.17370653    
 H   0.158630043       2.28742862       3.46273661    
 O   -2.61511827      0.430654347       4.75888300    
 H   -3.51072240      0.207618028       5.03528595    
 H   -2.36893392     -0.235119000       4.09811449    
 O    6.47105202E-02   2.47370219      -1.99677813    
 H   0.396007359       3.17483544      -2.55139875    
 H  -0.907732189       2.52371883      -2.03274512    
 O   -3.53634071       2.19544172      0.579695821    
 H   -4.35492849       1.69133472      0.682235777    
 H   -3.26794481       2.47904038       1.46416152    
 O   0.644463420       1.47830951      0.537947774    
 H   0.467759460       2.10835314       1.24755108    
 H   0.523181438       1.92341375     -0.311856180    
          69
 Energy    -249.15335936369266     
  O      1.02758239      0.48171463      2.56759621
  H      1.53104842      0.31411408      1.76006811
  H     -3.11387164      2.94889506      0.60105335
  O     -2.80145013     -0.22356556     -3.58107178
  H      0.08848962      0.41572060      2.33242682
  H     -0.38106323      2.03810294      5.13171578
  O      0.35207050     -1.00558243      4.83741483
  H     -2.79608336      0.08997111     -4.48198997
  H     -0.90093535      1.92692693      6.58093428
  O     -4.49285443     -0.45641021     -1.30114073
  H     -2.06044847      0.21268972     -3.12874627
  H     -0.06326315      3.45337279      2.22971281
  O     -1.86372969     -2.76959827     -2.54743935
  H      0.75338166     -0.59471484      4.05855124
  H     -1.29925015      3.76439666      1.35666823
  O      0.15490382     -1.62502817     -1.03398786
  H     -0.09465425     -0.28861401      5.29892585
  H     -3.49920980      0.83363060     -0.51291382
  O     -4.69187203      1.98125046      2.95379552
  H     -4.09893475     -0.37079753     -2.17725347
  H     -2.06564092      1.31062980     -0.83548785
  O     -3.55962050     -2.39052276      4.01954851
  H     -4.14222267     -1.27750327     -0.92272995
  H     -2.19202119      0.23858239      2.78273907
  O      0.74321057      2.81257559      3.88772162
  H     -2.47896451     -2.94485096     -1.82321688
  H     -2.09937347      0.66814357      1.27924933
  O     -0.76758427      0.80663191     -1.99756230
  H     -2.24228682     -2.03126425     -3.03844305
  H     -2.62930993     -2.70857806      0.34879648
  O     -3.09491048      0.32457669      4.35776653
  H     -0.38393513     -2.11482596     -1.67222563
  H     -4.15046636     -2.87785604      0.52002727
  O     -3.18425555      3.73164964      1.17655250
  H     -0.14938276     -1.92687923     -0.16648326
  H      1.59277392     -0.53097556     -0.38469654
  O     -0.91012830      1.49056119      5.73195729
  H     -4.24419496      2.65135344      2.42812304
  H      1.81661287      0.99633350     -0.29346254
  O     -0.34073901      3.65380844      1.32961670
  H     -5.11038099      1.36427776      2.33295048
  H      1.49770616      3.36506964     -1.19840312
  O     -2.80867189      1.44959285     -0.23450315
  H     -2.67842030     -2.77870642      4.05271274
  H      0.50618866      3.01277556     -0.06681724
  O     -1.64069596      0.20590277      1.98977015
  H     -3.45128675     -1.45363378      4.23769890
  H     -0.39930083     -2.50605935      4.33737894
  O     -3.45846381     -2.77340203     -0.14603678
  H      0.95484093      1.98903429      3.41013857
  H     -0.43982673     -4.05037941      4.39956432
  O      2.10120212      0.15068066      0.07421971
  H      1.57417729      3.24250395      4.07607943
  H     -0.95209514     -2.85351493      2.14811380
  O      0.96788375      2.65489313     -0.84530126
  H     -0.14262788      1.49504431     -1.73756630
  H     -1.34512676     -1.48117109      1.56094017
  O     -0.83839414     -3.29567191      3.97471024
  H     -0.43147626     -0.03239488     -1.64609282
  H     -6.00881186     -3.27195845      2.27277081
  O     -1.10917220     -2.39012750      1.31818363
  H     -3.71695591      0.96945141      3.98224477
  H     -4.68147201     -2.62777320      2.73750792
  O     -5.29427808     -2.71057164      1.98426530
  H     -2.45508354      0.79118750      4.90588317
  H     -5.63841369     -0.86360806      1.57227350
  O     -5.70269128      0.03687466      1.23065311
  H     -3.69939943      4.37790848      0.69892144
  H     -5.51436345     -0.04354808      0.28855114
          69
 Energy    -249.15272062976527     
  O     -3.17803207      3.36782041      3.66243630
  H     -4.13574970      3.23963383      3.60991985
  H     -3.26642242      1.58474339      0.35215738
  O      0.31530068      4.65521607      1.57586498
  H     -2.92413972      3.72245019      2.79907304
  H     -7.03402811      3.49705911      0.21159447
  O     -0.62168935     -0.38158970      2.97539789
  H      0.98659296      5.28697078      1.33326379
  H     -6.10300692      4.68968756      0.51939173
  O     -2.23725555     -2.08882400     -0.38582666
  H      0.66067098      3.77407581      1.34385081
  H      1.37629478      1.81947008      2.05301438
  O     -4.20375838      0.88393847      1.65831702
  H     -0.65569718     -0.12383363      2.04271768
  H      0.67005967      1.45703982      0.72690772
  O     -5.82492854      2.73020817      2.98888397
  H      0.09132963      0.12709138      3.38099271
  H     -1.47917708      4.55866548      1.21618179
  O     -7.24626878     -0.09800002      0.57176356
  H     -2.26631620     -2.57562601     -1.20602715
  H     -2.45031092      3.52174558      0.58406265
  O     -2.94586506      0.59449928      4.11576540
  H     -3.15886263     -1.90197336     -0.14212363
  H     -3.78343995      5.16845953      0.29178143
  O     -4.68423104      3.11257974     -1.88686622
  H     -4.85120205      1.54040361      1.94557174
  H     -4.40063091      6.39916689     -0.40817236
  O     -4.78475618     -1.58696102      0.62512606
  H     -3.70155896      0.66208971      2.45339912
  H     -5.01153053     -1.77183883      3.99396227
  O     -4.43199958     -3.20840138      2.92352791
  H     -6.45391097      2.03899625      3.22763140
  H     -4.45834528     -0.41486211      4.47658782
  O     -2.72734980      2.01358116     -0.33101018
  H     -6.23974094      3.28910008      2.31359752
  H     -0.14019731      4.09554566      3.36725889
  O     -6.81282916      4.14953949      0.88846720
  H     -6.53272048     -0.73891959      0.47303910
  H     -1.34463624      3.57264441      4.17635155
  O      1.21268411      2.13173731      1.15408400
  H     -7.34812663      0.04789341      1.52098334
  H      1.91878677      1.44314278      4.62231200
  O     -2.41223995      4.33653617      1.10827454
  H     -2.91992571      1.56022777      4.07495673
  H      0.66409992      2.19305303      4.11120229
  O     -4.54688980      5.47451051     -0.22496755
  H     -2.09058034      0.25660841      3.81726787
  H     -8.13086544      0.27382563      3.95670733
  O     -5.26560106     -0.94450128      4.42023440
  H     -4.68796841      3.98462341     -1.47307951
  H     -6.63955752     -0.10400744      3.79143562
  O     -0.37994441      3.59559085      4.15776665
  H     -5.53899117      2.71575541     -1.67443730
  H     -1.32674515     -2.09252211      2.70390417
  O      1.25249641      1.43535441      3.94086262
  H     -4.79022033     -2.18973845      1.38043121
  H     -1.82719058     -2.72395411      1.39225175
  O     -7.37173264      0.40172492      3.39403819
  H     -4.61694180     -0.69816380      0.97955115
  H     -1.35541483      0.93236429     -0.03318514
  O     -1.81164344     -2.84937846      2.34914460
  H     -4.60657553     -4.12406480      3.12387658
  H     -1.10048852     -0.58402600     -0.05889856
  O     -0.72574699      0.25012019      0.24709110
  H     -3.46837067     -3.12529355      2.80724439
  H     -7.22758046      1.29963776     -0.48434848
  O     -7.21764589      2.09462691     -1.04454704
  H     -3.33817786      2.32701822     -1.01307678
  H     -7.96867480      2.02101244     -1.62834191
          69
 Energy    -249.15224219375574     
  O      2.51461022     -1.98162063      4.54494320
  H      2.74911283     -1.05736033      4.39686423
  H      1.47258653     -0.30130106      0.95089208
  O      3.07659633      0.79077953      4.46210772
  H      1.96403214     -2.27407456      3.80448186
  H     -1.19259292      2.84175199      1.57784351
  O     -2.90618987     -3.54380344      7.00423280
  H      3.93420545      1.18099531      4.61372121
  H     -1.15616298      1.31572016      1.81025031
  O     -1.52932505      0.25123884      8.83718635
  H      2.57609199      0.88671300      5.29002104
  H     -1.73161978      1.24914176      5.01776222
  O      1.52634187     -4.82737925      7.07063085
  H     -3.29961590     -2.69050886      7.21661941
  H     -1.14410884      2.25837314      4.01999723
  O      0.73500966     -2.77657935      2.62324584
  H     -2.06258522     -3.56172074      7.48027508
  H     -1.79280068     -0.96537469      1.73325210
  O      0.35229353     -4.87659908      4.54986415
  H     -1.13418219      1.02972567      8.42772300
  H     -0.66662300     -0.59468254      0.74961930
  O      3.74869769     -3.02243199      6.74588259
  H     -0.81545308     -0.24847642      9.25080198
  H     -0.53715538      3.41663891      7.72047976
  O      2.83791850     -1.03418544      8.59804699
  H      1.17752766     -4.92349507      6.17051171
  H     -0.76781827      2.44942259      6.53244170
  O      0.53813353     -1.37995293      9.99688539
  H      2.34446555     -4.32440934      7.00043703
  H      2.20912906      1.04968611      2.81334132
  O     -1.97007266     -2.21231816      3.11203184
  H      0.94844083     -2.32277443      1.79877235
  H      0.94490929      1.56036320      2.08014560
  O      1.18549945     -1.08098268      0.44101705
  H     -0.18864019     -2.56186783      2.81862857
  H     -0.00599287     -2.13858547      6.81055011
  O     -0.84015523      2.16984064      2.15616588
  H      0.59530161     -4.32433416      3.79857970
  H      0.90999653     -1.83431661      5.58070910
  O     -1.35638402      2.13953783      4.95182249
  H     -0.61233188     -4.85743169      4.57928661
  H     -2.68736377     -4.20968946      5.42578569
  O     -1.48869442     -0.26906204      1.13582636
  H      3.36532993     -2.70138637      5.91169190
  H     -3.08798614     -5.31688219      4.42362336
  O     -0.41014630      2.51544858      7.43794325
  H      4.61639542     -3.36027489      6.53754990
  H      1.05203453      1.47664081      7.06601858
  O      1.77749006      1.08747462      1.95212365
  H      3.19596798     -1.73322705      8.03721320
  H      1.09202853     -0.00174260      6.60542671
  O      0.20620228     -1.48006976      6.13566413
  H      2.57652369     -0.31621590      8.00604310
  H     -2.92459820     -0.47239986      8.08830437
  O     -2.50794364     -4.56891622      4.53793900
  H      0.71923411     -1.45469382     10.93017432
  H     -4.46618492     -0.48666454      7.95927078
  O      1.64926483      0.77179662      6.78826165
  H      1.39708976     -1.26707393      9.55305418
  H      0.28090722     -3.92467623      7.89626378
  O     -3.66853989     -0.84894239      7.58391841
  H     -2.24114934     -3.06254862      3.48034283
  H     -0.09986462     -2.77053265      8.89822181
  O     -0.41629075     -3.30227160      8.15989831
  H     -2.11929018     -1.56055637      3.81297617
  H     -2.81552642     -0.59198864      5.95994023
  O     -2.18394019     -0.47995162      5.23932596
  H      1.65865276     -1.06179330     -0.38593499
  H     -1.33521749     -0.82795622      5.55710239
          69
 Energy    -249.15192989053520     
  O     18.64571549     18.43872816    -14.50339227
  H     19.56866745     18.20176425    -14.34992641
  H     13.07327919     13.43167103    -13.91373295
  O     15.87657084     15.05751712    -13.73977418
  H     18.49858968     18.38564779    -15.45888680
  H     22.66341202     14.35519841    -14.18957197
  O     16.78737776     13.30665704    -17.67372957
  H     16.52216097     14.41712162    -13.40389630
  H     22.04333057     14.39781242    -12.78486316
  O     15.83647348     11.25893272    -13.24271381
  H     16.10829277     15.91204230    -13.35365461
  H     18.45861401     12.99807521    -13.18972922
  O     14.65039156     11.89869864    -16.70889991
  H     17.47612044     12.77582476    -17.25350563
  H     17.06710521     12.46301941    -12.74038489
  O     20.61532667     12.54914217    -18.50378054
  H     15.94740672     12.86887807    -17.47407056
  H     16.79379486      9.14580271    -15.91360694
  O     23.04012305     15.69062259    -15.60187077
  H     15.08087389     11.79196340    -13.51930830
  H     17.43482462     10.54495096    -16.03095934
  O     16.92952758     17.42170746    -12.69099372
  H     16.11745766     10.77270854    -14.02781777
  H     17.50486940     17.24583329    -16.98030555
  O     19.86907853     12.85527548    -14.33814949
  H     14.31167151     12.33622007    -15.91759686
  H     18.67606242     17.59162733    -17.91081906
  O     18.51063189     14.16979906    -19.68406526
  H     15.20215096     11.17127275    -16.39427130
  H     21.70831396     15.99361709    -10.80382480
  O     21.13625460     15.09376045    -17.51469851
  H     21.39127947     12.15036272    -18.89030446
  H     20.38390222     15.65424023    -11.52715109
  O     13.92803884     13.17016849    -14.24730295
  H     20.89235820     13.40658676    -18.14089056
  H     21.82219789     16.79402793    -14.61607441
  O     22.31875593     13.79294636    -13.48651341
  H     23.89760966     15.92053101    -15.95150898
  H     21.19330891     16.75831225    -13.20685130
  O     17.66934757     13.21824080    -12.67728261
  H     22.47757792     15.47049973    -16.36189315
  H     18.31078707     14.66835386    -11.73340302
  O     16.64694173     10.06905381    -15.72220254
  H     16.52011797     18.15046622    -12.23232976
  H     18.09584475     16.19936703    -11.78820788
  O     18.13889816     17.94590254    -17.19523795
  H     17.52275469     17.81182379    -13.35854740
  H     19.42463161     11.79475359    -17.24377762
  O     21.34308456     15.77123149    -11.65574121
  H     20.76357887     12.96900171    -13.99104646
  H     19.18718167     11.96646357    -15.72150466
  O     21.08675863     17.13275731    -14.09209144
  H     19.63396084     13.71872359    -14.71579296
  H     19.77218505     16.00691763    -14.91701289
  O     18.67992429     15.51400106    -11.44402546
  H     17.77004450     13.91951301    -19.11395112
  H     18.49825333     15.54178817    -15.70994747
  O     18.78727600     11.63133945    -16.53859097
  H     19.20010125     13.52352852    -19.49521093
  H     19.72165124     17.08185137    -20.14763760
  O     19.38605158     15.28683473    -15.43008044
  H     20.49495353     15.11337480    -16.78560348
  H     19.16582769     15.78781076    -19.50968819
  O     19.65592186     16.60886002    -19.32215279
  H     20.78647089     15.69425340    -18.18620316
  H     16.35543137     15.50252146    -15.45325580
  O     16.77183628     15.69607482    -16.30247693
  H     14.53319119     13.90928754    -14.07126019
  H     16.71335462     14.89218770    -16.83754345
          69
 Energy    -249.15183671133798     
  O     12.25163948      9.63417987    -16.76656597
  H     12.20612445      9.22210955    -17.62476915
  H     12.06140720     12.40783178    -11.91773181
  O     10.53079295      8.07179072    -10.74790542
  H     11.33469973      9.74277944    -16.45599763
  H     16.96385717      9.67588676    -11.69297883
  O     13.44345011      9.18253946    -14.23996250
  H     11.28091203      7.59751234    -10.36939177
  H     16.92910603      8.75610518    -10.43526231
  O     13.86189705     12.70843474     -7.87491478
  H     10.38364125      8.85781246    -10.21079835
  H     14.05993963      8.23526996    -12.80476790
  O     12.65988173     12.31684210    -15.81905437
  H     13.86094121     10.04286364    -14.08723367
  H     15.27089610      8.11716851    -11.81502071
  O     10.83014000      9.20799344    -13.20273954
  H     13.13292285      9.18970726    -15.15358660
  H     13.75119877     15.39854298    -10.30618600
  O     14.11741564      8.13584129     -7.96458593
  H     13.86122260     13.42615940     -8.51835860
  H     13.64091194     13.91852774    -10.74031040
  O     13.93254114     10.37787011    -10.52278866
  H     14.70955044     12.26011973     -8.00306749
  H     13.41474759      7.02608625    -10.74618125
  O     12.41932180     10.38669800     -8.19964393
  H     13.41158660     12.22888208    -15.21874907
  H     12.88826722      5.69327527    -10.16134407
  O     16.63991072     13.28203601    -10.62891912
  H     12.59574886     11.47054226    -16.27863475
  H     16.94663484     12.14082112    -11.90436319
  O     10.02852260     10.74516850     -9.66693343
  H     10.70961734      8.68372986    -12.39787311
  H     17.90852891     11.59734706    -12.98483879
  O     12.98643639     12.60206600    -11.72516826
  H     11.75281753      9.14157038    -13.47923024
  H     10.18950132     12.25812743    -13.05204274
  O     16.84710661      8.76525252    -11.39697074
  H     13.67816190      7.53737860     -8.58213654
  H     10.54976157     10.84082890    -12.56814169
  O     14.32347981      7.93747978    -11.92474256
  H     13.51138006      8.87829590     -7.84410944
  H     16.45109772     10.41962443     -8.58816007
  O     14.09025570     14.52525959    -10.12725945
  H     14.04568141      9.53290124    -10.97097705
  H     15.36537173     10.97294912     -9.52143487
  O     12.88740729      6.63764961    -10.02550426
  H     13.38168188     10.24089737     -9.73882073
  H     14.03422473     12.11767177    -13.12982277
  O     17.06829092     11.43377453    -12.56270983
  H     11.55297207     10.55953004     -8.58647142
  H     15.45607468     11.60734668    -13.48178566
  O     10.39086484     11.74703809    -12.25823345
  H     12.81972044     11.24367272     -7.98134611
  H      9.83142997     13.64312681    -15.25194469
  O     16.04392454     11.24163660     -8.88255712
  H     15.87132120     13.84940111    -10.50347647
  H     11.08413318     12.74134370    -15.16889653
  O     14.56173603     11.70712935    -13.82989032
  H     16.59435036     12.63140630     -9.91191587
  H     17.28602215      8.05284119     -7.91788291
  O     10.18290430     12.86849057    -14.82126240
  H      9.14563022     10.93079574     -9.35365960
  H     15.82163734      8.38950638     -8.28291835
  O     16.75116119      8.58099550     -8.50399383
  H     10.10875960     11.18150581    -10.52952506
  H      9.75477897     11.03934755    -15.43972565
  O      9.82037976     10.09763036    -15.63554637
  H     13.34481714     11.82015752    -11.27245742
  H     10.00543761      9.67120573    -14.78526030
          69
 Energy    -249.15155610593865     
  O     15.36904168     10.49739167    -15.30631363
  H     14.85216163      9.82470478    -15.74041632
  H     17.05023609     12.57102997    -16.74934957
  O     17.58141491     16.88905271    -15.94906011
  H     15.99693262     10.84223172    -15.96760176
  H     20.02046619     11.15749403    -10.54700214
  O     20.03782597     11.25193372    -16.65858089
  H     17.12150628     17.67739726    -16.22659636
  H     19.66037994     10.98483716     -9.05289873
  O     20.05081084     14.12129875    -10.56623070
  H     17.83476002     17.02945483    -15.02133488
  H     20.93637197     17.66707507    -11.32460958
  O     15.28100427     13.57024557    -11.46350002
  H     20.63924943     11.04001300    -17.36895698
  H     20.60310011     19.16910737    -11.49591837
  O     21.10474387     10.78115837    -11.83067089
  H     20.44639526     11.97798546    -16.15832346
  H     22.68461994     14.04999367    -12.41108099
  O     16.81070692     11.17828951    -10.91261446
  H     19.86937715     13.25391898    -10.18211023
  H     21.28487574     13.66142493    -11.87547098
  O     20.31431362     15.98259302    -15.37056743
  H     19.22125426     14.42042066    -10.96328716
  H     17.17964139     10.59708598    -12.53979376
  O     21.66188276     16.39511508    -10.40593527
  H     14.44511619     13.74800303    -11.04112736
  H     16.69899967     10.35653437    -14.01407685
  O     20.96904519     13.28931883    -15.06570212
  H     15.08519052     13.37017507    -12.39709099
  H     21.82602075     16.85525643    -14.55941018
  O     14.84418911     13.03458374    -14.09144080
  H     20.80563812     10.35157071    -12.64544321
  H     21.82009990     17.75462982    -13.30770980
  O     17.19006579     11.63820192    -16.96331642
  H     21.58725295     11.57132590    -12.09891682
  H     18.24961549     16.25143586    -12.80292509
  O     19.44809623     11.49288123     -9.83155500
  H     16.32160883     12.00734071    -10.96770269
  H     19.20596911     17.48993542    -12.83722336
  O     20.57645931     18.32819777    -11.94406692
  H     17.65518403     11.36425520    -10.48280867
  H     23.33913867     16.17073757    -12.86914209
  O     21.97162611     13.40745722    -12.50838078
  H     19.68782714     16.23525067    -16.05350096
  H     24.68035829     15.70764819    -12.24912610
  O     17.47545773     10.45644576    -13.45180039
  H     19.84851712     16.19571948    -14.54696422
  H     19.11961538      9.84237619    -13.90299558
  O     22.40016989     17.25011398    -13.89218242
  H     21.10324443     15.61067502    -10.31252110
  H     20.09733262     10.11091713    -15.05440312
  O     18.61895016     16.94151890    -13.37247902
  H     22.46186984     16.10253264    -10.85902525
  H     18.14016497     12.12321585    -13.74745022
  O     23.73793060     15.56846176    -12.21606199
  H     20.80991415     14.21996417    -15.27265103
  H     19.33155564     13.01366214    -14.23980345
  O     20.04658767      9.74220711    -14.16718452
  H     21.41939015     13.26383161    -14.20885720
  H     17.00829585     15.10232661    -15.92564895
  O     18.43793947     13.03371974    -13.88031480
  H     15.37204615     13.55500775    -14.71104843
  H     17.39757340     13.82179758    -15.12788798
  O     16.79142769     14.17234457    -15.79929358
  H     14.86770347     12.13434601    -14.43763394
  H     18.01029490     14.13735780    -12.61139570
  O     17.73798849     14.78015411    -11.93489827
  H     18.13834085     11.47775529    -16.88898580
  H     16.85648969     14.50889902    -11.65321425
          69
 Energy    -249.15138185128956     
  O     10.18468323     10.36511115    -13.09306918
  H     10.06484224     10.06546540    -14.00350355
  H     17.07070241      6.83442851    -16.45073591
  O     14.21667445      7.47341738    -15.43216699
  H     11.04347298     10.80448881    -13.06702790
  H     18.64883554      7.78434020    -15.12888362
  O     15.78470402      8.52790846     -9.58082462
  H     14.87151173      7.21558545    -16.09197901
  H     17.95686347      6.67803051    -14.29525160
  O     19.06106871      9.67588732    -15.26682745
  H     14.69809552      7.93679919    -14.72673395
  H     16.23343692     11.82426146    -13.40005308
  O     12.74932481      9.80021519    -15.71980385
  H     15.12946780      9.02111003    -10.09437860
  H     15.76664882     13.29241405    -13.46550451
  O     14.39722724      6.12241011     -9.87920176
  H     16.62431789      8.64956450    -10.03498379
  H     14.88510566      8.92257837    -12.63278008
  O     12.94281870      5.92954739    -13.50963068
  H     19.89155884      9.95762495    -15.64026127
  H     16.14593412      9.37084902    -13.42584764
  O     13.80599125      9.50044889    -11.33483147
  H     18.39596160      9.73549089    -15.97961274
  H      8.76483500      8.20834974    -11.23149771
  O     17.13621733      9.70737226    -17.11238145
  H     13.21200403      8.95034805    -15.69709374
  H      9.76615268      8.96149903    -12.14161279
  O     15.07656885      4.67800456    -12.03529522
  H     11.81157444      9.60228644    -15.82917631
  H     17.91758625      7.81366631    -11.62863382
  O     17.52444020     10.56080805    -13.13418381
  H     14.94525133      6.89076490     -9.66430593
  H     19.02996965      8.39415743    -10.72710290
  O     16.36852686      6.92188577    -17.12049452
  H     13.53205871      6.47495352    -10.12526454
  H     11.13245314      6.35479932    -14.00881026
  O     18.27519340      6.89642177    -15.18067694
  H     13.35813393      6.41044530    -14.24022256
  H      9.95978890      7.08945855    -13.32083002
  O     15.48785461     12.39640091    -13.64161172
  H     13.63696722      5.40038285    -13.09882707
  H     16.46326526      7.27957034    -12.91056536
  O     15.47656858      8.68018658    -13.35894110
  H     13.17601883      8.77321854    -11.22621758
  H     16.51594367      5.81482826    -12.43481121
  O      9.57181622      8.10143983    -11.72707866
  H     13.40040606     10.15463501    -11.91852645
  H     14.20281537     10.86568039    -16.22890222
  O     18.22376411      8.62200493    -11.18437873
  H     16.77669096      8.82635964    -17.26005574
  H     15.19482505     11.77060016    -15.47239897
  O     10.28844711      6.79061671    -14.17848801
  H     16.39065005     10.29143935    -16.90599607
  H     11.24397242      7.52171489    -11.23219882
  O     17.07386474      6.57104146    -12.65006182
  H     15.12248903      3.75036661    -11.81987523
  H     12.40584712      6.83012641    -12.00044966
  O     15.05555184     11.31310776    -16.30842545
  H     14.85787657      5.14837772    -11.20824775
  H     13.71022455     11.73861258    -13.36480410
  O     12.17542066      7.27789229    -11.17342558
  H     17.80853740     10.03411047    -12.37539181
  H     12.86010810     10.70777553    -14.13922916
  O     12.89979900     11.21791294    -13.31587206
  H     18.11000342     10.33043220    -13.87015545
  H      9.35601620      8.97927616    -16.29095687
  O     10.05544376      9.06521487    -15.64911612
  H     16.57374172      6.30519637    -17.81795958
  H     10.13470470      8.20447161    -15.19979308
          69
 Energy    -249.15134186118746     
  O     12.41398201     12.45148170    -13.05529565
  H     13.20473350     12.39959517    -13.61949556
  H     17.49279373     11.75486510    -16.99089886
  O     19.20937735      9.70125437    -12.53512714
  H     12.20817730     13.37744043    -12.95424118
  H     13.63263409      9.70348169    -17.18071465
  O     15.80249444     10.32710229    -11.36793660
  H     19.06159764      9.72035224    -13.49221139
  H     12.68756340     10.60226106    -16.36104149
  O     11.43327646     10.56245926    -15.03413760
  H     18.84806638     10.52569236    -12.19221422
  H     16.71295361      9.70748692    -14.41536092
  O     13.97840574      7.76183895    -14.65412246
  H     15.82338960     10.07938456    -12.30770533
  H     15.29799892      9.03552343    -14.32193077
  O     14.80369680      5.96368520    -12.74291724
  H     16.48835423     10.99595448    -11.26594894
  H     13.15377255      8.69628825    -10.21675475
  O     18.57378761      7.14431553    -11.97588652
  H     11.37370884      9.77743217    -14.47492303
  H     14.30137317      7.67669289    -10.04390994
  O     14.54277819     12.06797157    -14.74451712
  H     11.57514824     11.28765271    -14.41456517
  H     18.49486339     10.57422938    -15.65918291
  O     16.05079960      7.60910442    -10.83299807
  H     14.32914232      7.07577418    -14.07086744
  H     18.08511177      9.07744369    -15.81177622
  O     16.26336858     10.69680591    -17.61174068
  H     13.19000705      8.10753943    -14.21517985
  H     16.16098253     12.94921440    -14.32503235
  O     17.12832478      6.41558792    -14.37050842
  H     13.90962949      5.79847951    -12.41995583
  H     17.57154052     12.90868322    -14.92075567
  O     18.23604879     12.19768815    -16.54165185
  H     15.23233559      6.51767244    -12.07321039
  H     18.33338854     12.84934638    -11.21083792
  O     13.47658401     10.62113845    -16.92488801
  H     19.35324143      6.67771039    -11.68607362
  H     17.64253382     12.52310434    -12.55425539
  O     15.84172074      9.76782035    -14.00721748
  H     18.84008551      8.06973315    -12.12435016
  H     13.99566440     10.36999821    -11.27822017
  O     13.34935141      7.79583875     -9.92820623
  H     15.02697734     11.29155929    -14.42214606
  H     12.72626790     11.08735544    -11.78533068
  O     18.43897846      9.73062597    -15.19256389
  H     14.16068542     11.77467969    -15.58074108
  H     16.99594963      7.34747634    -15.92444626
  O     17.08826315     13.11185940    -14.11026683
  H     16.94751460      7.36371534    -11.09548369
  H     16.01771954      7.80187905    -17.03034209
  O     17.92083918     12.14369930    -11.70173978
  H     16.00584958      8.57101367    -10.93266553
  H     12.21814039      9.11184138    -12.47813033
  O     13.03145573     10.29279251    -11.32969516
  H     16.47696817      9.78287513    -17.39079544
  H     11.75604824      7.64666046    -12.68492374
  O     16.90038520      7.95743530    -16.67436656
  H     15.31403902     10.79133550    -17.47037601
  H     12.53224371      6.64411521    -10.94938265
  O     11.81743610      8.50584183    -13.11925333
  H     17.72112010      6.67045592    -13.65293042
  H     11.56974072      5.46441488    -11.23182689
  O     12.16115292      6.08140945    -11.65415489
  H     16.36645458      6.02471489    -13.92736620
  H     14.01826885      7.75140799    -16.37903737
  O     14.13439381      7.86036252    -17.34074152
  H     18.77060472     12.59818160    -17.22187287
  H     13.60402119      7.19044953    -17.76457425
          69
 Energy    -249.15081329268958     
  O     11.93354884      9.59513960    -15.03962411
  H     12.16030359      8.68919126    -15.29783646
  H     20.19858605      7.34560651    -15.10837710
  O     16.38333371      7.02148135    -11.95261173
  H     12.53412883     10.17289748    -15.52121079
  H     16.51220045     10.39449913    -18.42057564
  O     17.68477194     11.25639275    -13.23054832
  H     15.81858347      7.41442297    -11.27384187
  H     16.84336148     10.19164232    -16.92360896
  O     13.02535297      5.06271278    -13.55860420
  H     17.17723073      7.56890633    -12.02540069
  H     15.49870269      7.79048601    -13.34359197
  O     15.50851573     11.74301256     -9.39242567
  H     16.73138172     11.25977940    -13.40327926
  H     14.20125081      7.91851182    -14.20743447
  O     14.65165816      8.30611883    -10.22033571
  H     17.82600371     11.77202959    -12.42761450
  H     10.46567965      9.76486498    -12.26101182
  O     15.01118991     11.01316497    -13.78516844
  H     12.47727051      4.31186935    -13.34576956
  H     11.55652464      9.62601636    -13.34886302
  O     15.45131377      7.58128761    -16.67075322
  H     12.86580843      5.73081544    -12.86742110
  H     18.72497725      9.35548880    -10.60367643
  O     16.30932362      9.41422043     -8.24926948
  H     14.82616794     11.52897508    -10.04302221
  H     17.95174695      9.57829702     -9.27321479
  O     17.46959932      5.91462617    -15.62224461
  H     16.26203209     12.09572342     -9.88118484
  H     13.29881692      7.34273446    -11.13057794
  O     15.90805746      4.83620723    -13.61076535
  H     14.37133940      9.14117650    -10.62169171
  H     12.12374516      7.85661644    -11.97929760
  O     19.34341942      7.67828073    -14.84976197
  H     15.17937671      8.54223175     -9.44774431
  H     18.55941044      9.26693783    -15.53512711
  O     16.11489143     10.21625753    -17.57215633
  H     14.60224395     11.32156079    -14.60028264
  H     18.06043780     10.60321858    -14.94915469
  O     15.05668747      8.32078350    -14.01892456
  H     15.04901571     10.04373108    -13.85645795
  H     18.91687913      8.30182894    -13.15119860
  O     11.39118850      9.57484795    -12.39017544
  H     15.63571471      8.38467897    -17.16787464
  H     18.21348015      9.58799322    -12.66245497
  O     18.67535975      9.91362541     -9.81613518
  H     15.49781424      7.84653237    -15.73770384
  H     18.59925005     13.06530296    -10.35732375
  O     12.63215425      7.06393371    -11.77073577
  H     16.28232980      9.43771626     -7.29647340
  H     18.31834098     11.54307288    -10.32502447
  O     18.10475897     10.08671884    -15.76398749
  H     16.00665261     10.28658147     -8.56299063
  H     12.86246098     10.42115612    -11.59578492
  O     18.52722143      8.71934529    -12.37244098
  H     16.96636792      5.42972350    -14.95117020
  H     14.19673296     10.92729484    -12.17897972
  O     18.00174831     12.39502197    -10.67840327
  H     16.81515421      6.35581477    -16.17661050
  H     13.59234553     12.08460993    -16.86196168
  O     13.74464700     10.72455720    -11.34758471
  H     16.13445482      5.47499490    -12.91947595
  H     14.62976402     10.94244265    -16.81191481
  O     13.87586671     11.33500392    -16.34347711
  H     14.94543042      4.80616879    -13.62715006
  H     12.92747233      6.25910282    -14.97585869
  O     12.92717117      7.06489868    -15.50865994
  H     18.69045499      7.00477716    -15.11456946
  H     13.70121561      7.04590108    -16.08704367
          69
 Energy    -249.15078743174126     
  O     -1.43719349      3.12941274      2.09672434
  H     -2.04187115      3.09876536      1.34368932
  H     -0.51971358      8.00813275      1.73391588
  O     -2.66819147      6.10095024     -0.53768985
  H     -1.03573597      2.25680323      2.19575747
  H      1.24769116      1.51753227     -0.52028611
  O      4.45616377      5.80929773      1.52062899
  H     -2.69930156      6.51589046      0.33326416
  H     -0.13228478      1.21652705     -1.11678721
  O      1.96249351      6.27854911      2.69974798
  H     -1.75523601      6.22980435     -0.83672971
  H     -0.08589759      5.25566739     -2.58705046
  O     -0.00607434      6.27316382     -1.19408421
  H      4.15283724      5.99843150      0.61453973
  H     -1.14538635      4.84229045     -3.60643668
  O      2.35125042      2.97501057     -0.58105345
  H      5.32070166      6.20205418      1.60726698
  H      1.17027368      8.53616085      0.12161704
  O      0.64097892      4.61678243      0.87135308
  H      2.87749743      6.13653968      2.42509560
  H      1.57486092      9.42203955     -1.08437856
  O     -2.27261698      7.25766507      2.03891501
  H      1.80697112      5.80709964      3.52874306
  H     -3.85810072      2.82740680     -1.74821849
  O     -1.19438851      2.23562615     -2.28593484
  H      0.24796922      5.71622849     -0.44167421
  H     -4.85387062      2.11505223     -2.68846502
  O     -1.39387395      5.33802443      3.73920616
  H      0.49300144      7.09497019     -1.13580679
  H      1.26282083      1.84243046      3.15435131
  O     -2.83971950      3.34568218     -0.28064122
  H      1.77135324      3.55577876     -0.06336084
  H      2.59369652      2.61989711      2.99197253
  O      0.39210182      8.30240467      1.63093243
  H      2.50093437      3.41548043     -1.42404953
  H     -3.05104500      5.64348260     -2.50504821
  O      0.49109452      0.91901640     -0.44326655
  H      1.09076903      5.15645107      1.53466092
  H     -3.45305413      4.37789568     -3.27734126
  O     -0.23311261      4.66054311     -3.34129887
  H     -0.04726016      4.11194854      1.32091086
  H     -0.14085979     -0.16573996      2.45736001
  O      1.57821021      8.52448304     -0.76456952
  H     -1.96685313      6.58289029      2.67163100
  H      0.18104100      0.73773195      1.24305850
  O     -4.04207666      2.61567964     -2.67830448
  H     -2.88334673      7.81454045      2.51597684
  H      1.58647906      4.53753173     -3.23454711
  O      1.83516557      2.48799617      3.58058030
  H     -0.77698485      3.01372505     -2.68159681
  H      3.02152865      4.33908068     -3.76186622
  O     -2.96240384      5.20474854     -3.35929235
  H     -2.06411906      2.14950912     -2.69188426
  H      1.42564362      4.65386182      5.79495464
  O     -0.00656034      0.74190526      2.19936739
  H     -1.51427777      4.50961736      3.25164446
  H      1.39637091      3.89144933      4.44819545
  O      2.51986809      4.51868806     -2.96963907
  H     -0.57381605      5.22540824      4.23171214
  H      3.47727415      2.85972535      0.90919955
  O      1.18399755      4.74175193      4.87749309
  H     -2.82384196      4.31327275     -0.34087159
  H      4.18199962      3.92310570      1.75588706
  O      3.87193329      3.01047973      1.77870215
  H     -2.12302844      3.01070133     -0.83906208
  H      3.16190476      5.83945359     -1.64294729
  O      3.48766159      6.41826409     -0.94560859
  H      0.94157076      7.66123983      2.10519015
  H      2.90062310      7.18489173     -0.92511367
          69
 Energy    -249.15051707567926     
  O     -2.58474749      0.62235028      2.98960012
  H     -2.97687082      0.81865954      3.84952746
  H     -4.48873936     -2.37439421      4.56018864
  O     -2.37841665      3.88912898      4.96237375
  H     -2.46150658     -0.33442355      2.91081271
  H     -3.18563503     -2.52925748      8.66210253
  O      1.38369262     -0.54633755      1.53797358
  H     -2.74219883      4.76638843      5.05191589
  H     -2.66380505     -2.66666660      7.21251974
  O      3.98847947     -0.48779377      4.04863935
  H     -1.90320087      3.87058173      4.11331688
  H     -0.81939113     -0.05535139      6.84523994
  O     -0.97607661     -0.81375757      0.20848396
  H      0.96499706     -0.15135825      2.31911580
  H     -2.09616062     -0.43036660      7.62714488
  O     -2.01573756     -2.04106400      2.60567714
  H      0.66763009     -0.68899483      0.90416377
  H     -1.34544883     -3.54497416      5.40934439
  O     -2.00301618      1.89876667      0.68534780
  H      3.88943737      0.15430696      3.33704423
  H     -2.86967687     -3.66522994      5.22311060
  O     -0.97364777      3.79932554      2.63151533
  H      3.55510019     -1.29364736      3.74535525
  H     -1.06794320      3.26767889      6.20328529
  O      1.64051631      3.07530685      3.33524807
  H     -1.41737757     -1.30589498      0.91447831
  H     -0.79875999      2.04705890      7.11000900
  O      3.34986697      1.34430126      1.86632638
  H     -1.32180441      0.08631840      0.23988279
  H     -4.31739745     -1.43430041      6.56704595
  O      0.04591096     -2.82182650      4.36768529
  H     -1.27774181     -2.30986642      3.17041385
  H     -4.52092425     -0.22405489      5.63935436
  O     -4.22156658     -3.09430154      3.96050067
  H     -2.80566634     -2.47732835      2.95132916
  H     -0.79793648      0.83968222      3.42072174
  O     -3.03969430     -2.04010740      7.85688032
  H     -2.33303204      1.47969506      1.50106844
  H      0.55591045      1.61308887      3.57775779
  O     -1.60932593      0.31958781      7.26557901
  H     -2.77184997      2.17651773      0.19175317
  H      2.88371944     -3.32917402      2.28941750
  O     -2.17007878     -3.70434534      5.88647077
  H     -1.20975494      3.24895044      1.87671033
  H      2.09336583     -1.99940380      2.29263486
  O     -0.40805941      2.86563735      6.78060111
  H     -0.02324589      3.69105423      2.77326563
  H      1.26785768      3.04999846      6.37256233
  O     -4.77729650     -1.14583275      5.76792524
  H      2.32398331      2.60142117      2.84505775
  H      2.58888502      3.81076585      6.63288531
  O      0.14021429      0.74297420      3.62408664
  H      1.93550866      3.16312814      4.25276097
  H      3.46046089      0.10314576      5.69592235
  O      2.46005397     -2.69564590      2.86385759
  H      2.68905246      0.68444465      1.59589183
  H      2.84419484      1.34690711      6.38030000
  O      2.18772171      3.15510078      6.06800518
  H      3.91393339      1.49499114      1.11155843
  H     -3.24495926      2.27313940      5.34057766
  O      3.01654007      0.40658940      6.50237547
  H      0.23012581     -2.11696387      5.00821451
  H     -2.82298010      0.99829314      6.11730543
  O     -3.47152673      1.34606390      5.48570763
  H      0.87291210     -2.96610151      3.89493094
  H      1.43979763     -0.37809016      6.27189371
  O      0.57038400     -0.63842949      5.93563802
  H     -5.01355949     -3.57553576      3.73720722
  H      0.42695679     -0.12180426      5.12739077
          69
 Energy    -249.15031986728769     
  O     12.07842542      9.46185914    -10.61985691
  H     11.68178315      9.73118971     -9.79496430
  H     15.21610691      4.36491311    -11.38068364
  O     13.34815250      4.37075049    -11.95576950
  H     12.93533670      9.91917825    -10.68079916
  H     16.15899363      7.43817468     -9.40796774
  O     13.58602172     11.59203704    -13.56022508
  H     12.76102954      3.67977376    -11.66031772
  H     15.86018553      6.06612913    -10.14269863
  O     17.36718028      8.70232225     -9.00880105
  H     13.08892106      5.17908741    -11.47848984
  H     17.14169754      5.72818720    -16.69602028
  O     18.35699719     11.12877300    -11.62098749
  H     13.95714501     11.43949881    -12.68105571
  H     18.50568052      5.11233447    -17.09215107
  O     15.33726632     11.59141831    -15.63521797
  H     12.80759333     11.02645570    -13.61008553
  H     11.59160531      9.53409707    -12.35937132
  O     14.49317188     10.66472885    -11.05335082
  H     18.14440570      8.62585548     -9.57689945
  H     10.58325049      9.54507383    -13.53231699
  O     18.05194759      7.56016662    -13.02640529
  H     17.08983872      9.62331403     -9.07206906
  H     13.71528604      6.71977690    -10.12359829
  O     15.44399967      6.06688140    -16.92869649
  H     18.86597856     10.33515424    -11.41875930
  H     12.49732962      7.53093013    -10.59772330
  O     17.05774054      5.09699848    -13.79639880
  H     18.17832369     11.10874690    -12.57194356
  H     12.90606630      8.48044745    -13.90728834
  O     14.32663006      5.33556378    -14.40793358
  H     15.23955504     12.40542389    -16.12229309
  H     14.33445975      8.14445108    -13.37650659
  O     16.13027242      4.57191886    -11.14868831
  H     14.70305145     11.62821688    -14.89768363
  H     19.01553712      8.16040249    -11.68810207
  O     15.47018256      6.88607017     -9.80448688
  H     15.15198844     11.05923442    -10.46921034
  H     20.35234827      8.22368395    -10.91366518
  O     18.07008994      5.62476109    -16.41660145
  H     14.92869833      9.90798975    -11.47680843
  H     17.28638903     11.42791881    -10.32598345
  O     11.51344558      9.59080200    -13.32554365
  H     18.11738414      7.95191261    -13.90764290
  H     16.97501498     12.21110314     -9.02737684
  O     12.83852615      6.63525190    -10.53145816
  H     17.73538185      6.65639827    -13.15943466
  H     18.21186790      7.50124669    -15.99890358
  O     13.71426725      7.99782327    -14.10847523
  H     14.95176782      5.69023765    -16.18713880
  H     17.07406665      8.53767468    -15.87723963
  O     19.47068917      8.58585995    -10.94108125
  H     15.31392831      7.02304511    -16.88122394
  H     16.43758796      8.25480787    -12.46618054
  O     16.67608956     11.48387069     -9.56567293
  H     16.11545803      5.17944804    -14.00618235
  H     15.46584739      7.83976541    -11.33263276
  O     18.00727811      8.38323694    -15.66601763
  H     17.52244879      5.12233787    -14.64137591
  H     18.07956352     10.14905603    -14.85765287
  O     15.54501690      8.38740328    -12.12674470
  H     13.93379549      4.87510473    -13.65600718
  H     16.99503070     11.22709416    -14.74298986
  O     17.81091023     10.91352103    -14.33540656
  H     14.03958515      6.25753473    -14.32551499
  H     15.29654835      9.80007979    -16.18931341
  O     15.29807844      8.83518458    -16.21812567
  H     16.60174116      4.62278299    -11.98894867
  H     14.71275590      8.55360238    -15.49959221
          69
 Energy    -249.15016430114872     
  O     14.40825593      9.31561516    -10.49567566
  H     14.31590291     10.05152750    -11.11839184
  H     18.37589884      4.43155195    -11.22924163
  O     13.14580800     10.84239873    -15.92581758
  H     13.62665428      8.76265373    -10.60523309
  H     11.37993662      7.63001214    -11.24482770
  O     16.94216227     11.13003301    -13.17582497
  H     13.07634867     11.65496824    -15.40779039
  H     12.48899569      7.99340790    -12.25134380
  O     16.32057864      6.51741669     -8.49958174
  H     12.93126142     10.12321232    -15.32143923
  H     18.86770977      6.79911714    -14.51304437
  O     16.02381305     13.06280117    -15.02949333
  H     17.50432014     10.94958554    -12.41389913
  H     18.56057794      8.28585025    -14.84388387
  O     16.09252278      7.53190144    -12.03885959
  H     17.10421965     10.45663753    -13.85201935
  H     14.35195341     13.25105190    -14.54815529
  O     14.26081808     11.10983124    -12.55317840
  H     15.50750431      6.29022067     -8.98086436
  H     13.06197112     14.04966085    -14.23424231
  O     18.82488048      7.93440716    -11.70002224
  H     16.19938010      6.20131856     -7.60705198
  H     13.70637491      8.36616799    -14.14458764
  O     18.40477389     10.56294344    -10.81068885
  H     16.00221140     12.50188601    -15.81549810
  H     13.43532169      9.67334154    -13.34797281
  O     18.17528223      5.10202188    -14.48463460
  H     16.48256844     12.54487594    -14.35415553
  H     14.72541113     10.94040520    -16.71806530
  O     15.30394151      4.69033960    -14.83295187
  H     17.03768119      7.68026577    -11.89951719
  H     15.55802466     11.13552829    -18.00740646
  O     18.16138285      3.77039512    -11.91336991
  H     15.60277062      8.11325922    -11.44737909
  H     13.43288057      6.32671530    -10.39428196
  O     12.32595833      7.61575971    -11.37157942
  H     15.20679566     11.11445062    -12.76602487
  H     14.48231461      5.23324115    -10.64246052
  O     19.16896741      7.70869697    -14.36781999
  H     13.87165983     11.87310717    -12.99462890
  H     16.41101158      4.32127636    -11.97454262
  O     13.42179396     13.16801882    -14.26797648
  H     18.86457316      8.85651306    -11.42475000
  H     15.77217711      5.73539482    -12.02289934
  O     13.00327021      8.90675996    -13.75371116
  H     19.06021311      7.88217408    -12.64047638
  H     17.82356733      5.94676842     -9.51395892
  O     15.62631867     11.08451094    -17.05770412
  H     18.99227780     11.15698849    -10.35103066
  H     18.77523265      6.49823352    -10.60311012
  O     14.08225954      5.77327780     -9.94673502
  H     17.83611121     10.14945331    -10.13555253
  H     15.54921764      7.51129511    -13.70836100
  O     15.57313997      4.78813149    -12.09637448
  H     17.27081631      4.92758512    -14.76504026
  H     15.17559183      6.54357196    -14.86461260
  O     18.55248465      5.70322758    -10.09634440
  H     18.27987517      4.63437973    -13.64695610
  H     15.86573099      9.43388094     -9.44122141
  O     15.18951441      7.47346027    -14.61045246
  H     15.28993319      4.62872338    -13.86223895
  H     16.75943524      8.37628001     -8.79628607
  O     16.75198834      9.29914209     -9.07424706
  H     14.82484344      3.93634500    -15.16594460
  H     16.69015209      9.93919376    -16.02153262
  O     17.06368341      9.36785750    -15.33989553
  H     18.65854898      2.98534985    -11.70264733
  H     16.40564953      8.67576278    -15.17898702
          69
 Energy    -249.15003154262286     
  O     13.52384260      2.94961275    -13.99159743
  H     12.97042667      2.95392498    -14.78237029
  H     18.98299202      3.94604443    -18.75917087
  O     20.95239297      5.55559583    -16.25178892
  H     14.29216020      2.40504544    -14.20518022
  H     14.22911851      6.05924928    -13.42756257
  O     13.83196653      7.85756756    -13.81964153
  H     20.91513389      6.50412070    -16.43030541
  H     14.19362802      4.47255575    -13.45043318
  O     14.45831631      5.30079058    -20.15922813
  H     20.31463632      5.39242203    -15.54645571
  H     15.09793962      3.50754991    -19.72028548
  O     17.16780614      5.67228627    -12.13821555
  H     13.31954112      8.46086666    -13.28669604
  H     16.45895695      3.00068024    -19.21570168
  O     19.69466322      7.08130466    -19.39975297
  H     14.76851199      8.07939584    -13.66679817
  H     18.33157359      5.41820014    -13.58318498
  O     16.06691583      7.52125942    -17.18073714
  H     14.18273798      5.56361592    -21.03386481
  H     18.52586261      6.26021466    -14.85931649
  O     17.62317641      3.33606726    -15.95480639
  H     15.33165009      5.70056586    -20.01153654
  H     17.46942320      7.90413423    -16.15907047
  O     12.11806234      3.03252714    -16.48877823
  H     16.29316856      5.44583231    -12.50180101
  H     18.99177467      8.17981223    -16.00646389
  O     20.48922337      8.26244910    -17.08740006
  H     17.17197850      5.38394500    -11.22939629
  H     13.15154796      7.13868801    -16.98609171
  O     15.50194488      5.11858989    -16.01175678
  H     20.10553282      6.20923319    -19.33986317
  H     13.46591942      7.95797001    -15.71433059
  O     18.03567106      3.83390601    -18.61638712
  H     18.75861598      6.92265747    -19.57186722
  H     14.04500656      5.15788301    -17.05342058
  O     14.74815313      5.25458803    -13.30433020
  H     15.19421219      7.93293484    -17.12956182
  H     13.55388076      5.29664466    -18.51593281
  O     15.54296462      2.73116665    -19.36414367
  H     15.95690464      6.66085047    -16.74483158
  H     15.99463303      0.56273136    -14.58941271
  O     18.73027833      5.40071028    -14.46161992
  H     17.13894538      2.66269066    -15.46001727
  H     15.37489712      1.40799241    -15.72984981
  O     18.19420975      7.94582439    -15.51723827
  H     18.04934924      3.95386261    -15.34336029
  H     16.67456917      6.78452158    -18.69944230
  O     13.40677385      8.01688869    -16.67645220
  H     12.41709168      3.85068318    -16.91987330
  H     17.31637151      5.42231217    -19.13577729
  O     13.25051466      5.26728727    -17.59989033
  H     11.19702479      2.92458206    -16.71138421
  H     16.79181616      7.49177533    -12.77440170
  O     15.84490741      1.46024946    -14.87464161
  H     20.19382226      7.92019945    -17.95031601
  H     17.11440569      8.29417684    -14.04334080
  O     16.95150628      6.25846405    -19.46487453
  H     21.08313478      8.98636144    -17.26593614
  H     20.86453185      4.80002878    -17.82972865
  O     16.48752945      8.23362008    -13.30990249
  H     15.27506126      5.17223195    -15.07531901
  H     21.55547229      4.04244499    -18.98983041
  O     20.75488484      4.50105576    -18.75052336
  H     16.19080764      4.44946108    -16.09768397
  H     14.82526784      1.86421405    -17.96498825
  O     14.44955333      1.48812687    -17.15518928
  H     17.92579790      3.59405449    -17.68409479
  H     13.59685173      1.91607912    -17.02136510
          69
 Energy    -249.14952570464368     
  O     11.59967252     11.29845737    -14.53047302
  H     12.14882278     12.02486756    -14.21603209
  H     18.84049019      7.94201083    -12.48495613
  O     15.84320295      7.12193807    -14.03990347
  H     12.06475789     10.92075705    -15.29113141
  H     16.03327668     12.58176210    -15.46703242
  O     16.80529172     10.31499328    -11.04626794
  H     16.46540870      7.28734418    -13.32031281
  H     15.00800071     12.72763963    -16.59900847
  O     17.24646102     11.22684421    -15.04016146
  H     15.03484593      6.81970964    -13.60288749
  H     15.25620739      8.80890737    -14.37655004
  O     12.94282029      7.37854016    -17.03905342
  H     17.53308077     10.66230311    -11.57516320
  H     14.37029286      9.83666530    -15.16150754
  O     14.17196277      7.93529424     -9.07465562
  H     15.98041513     10.66718901    -11.41251878
  H     10.96905801      9.98433037    -13.62241021
  O     13.68634326      6.52978398    -12.39118050
  H     16.48480644     10.67834296    -14.79396202
  H      9.73279030      9.28736738    -13.00363299
  O     14.42763027     11.10664679    -12.18940288
  H     17.86449094     11.19703580    -14.30303843
  H     12.49733131      6.68192400    -13.83465152
  O     16.80706371      9.99294179    -17.56276980
  H     12.45540479      6.82646048    -17.64447716
  H     11.44363547      7.76091167    -14.13181645
  O     15.48152177      5.92457334    -10.26864318
  H     12.57789922      7.20981378    -16.15127347
  H     19.73134572     11.49981209    -12.60682198
  O     15.82194219      7.47740472    -16.84173221
  H     13.59085298      8.34524772     -9.72799567
  H     19.25541725     10.05437900    -12.88531587
  O     19.56948174      8.32880955    -12.99656636
  H     14.75680374      8.63163327     -8.74376007
  H     17.03285935      8.50208804    -11.38419078
  O     15.23645470     13.06501357    -15.72540330
  H     13.40554693      7.38679483    -12.03619377
  H     16.74627589      6.99000447    -11.13853357
  O     14.99759520      9.73673337    -14.43453367
  H     14.22652328      6.12491583    -11.70263752
  H     16.37280081     10.12075683     -9.28758729
  O     10.67275303      9.19510154    -13.13313201
  H     14.60241701     10.58128276    -12.98906768
  H     16.14980269     10.70137757     -7.88213472
  O     11.95375769      7.05182715    -14.54181080
  H     14.08937966     11.95097192    -12.50733116
  H     14.80024134     11.91796593    -19.08786967
  O     18.95373950     10.97308623    -12.77377187
  H     17.15981242     10.37985446    -16.75175506
  H     15.53336726     11.03987997    -18.04302561
  O     17.26523665      7.60708566    -11.66897545
  H     16.52630275      9.09122041    -17.34698852
  H     13.34665663      9.76693145    -11.54882804
  O     16.00316500      9.92265512     -8.41320898
  H     15.59538556      5.17755987     -9.68816439
  H     12.00253502      9.05864388    -11.84194566
  O     14.76577923     11.62642048    -18.18161470
  H     15.01270634      6.61188439     -9.75813873
  H     14.09805491     13.25096920    -14.41709653
  O     12.82065867      8.98456956    -11.33430587
  H     14.87575306      7.37501181    -16.99860624
  H     13.28374749     14.22493595    -13.53608751
  O     13.47235404     13.30040493    -13.67189849
  H     15.95546031      7.21194954    -15.92272320
  H     13.62086798     10.61532695    -17.17426303
  O     13.13936725     10.10952572    -16.50671915
  H     19.73531239      7.72950552    -13.72079634
  H     13.03125468      9.20450635    -16.82601404
          69
 Energy    -249.14934727646306     
  O     13.63261688      4.91935396     -9.95830986
  H     14.18432213      5.32506978     -9.27879780
  H     12.67278521     10.22364280    -13.51659874
  O     14.34811883      9.11998343    -16.39430638
  H     14.25338781      4.57045937    -10.61101136
  H     17.17760090      9.78300131    -11.20021751
  O     17.92315377      8.50084819    -14.14084640
  H     14.12594725      9.32055570    -17.30147354
  H     17.59714255      8.85438072    -12.40333300
  O     16.56711031     11.47009236    -10.73717620
  H     13.51770774      9.14814818    -15.89555533
  H     15.59554129      8.50110610    -11.80911468
  O     11.92765517      9.18336811    -14.95575193
  H     17.23479579      7.96223923    -14.55761968
  H     14.29459433      8.23424823    -11.01408414
  O     17.71718823      3.22254414    -13.34482548
  H     18.73026611      7.97131336    -14.15609391
  H     12.28905462      5.98522362    -10.35460893
  O     11.72932043      7.00814778    -13.36559128
  H     16.24725917     11.75627105    -11.61399680
  H     10.80338892      6.33755508    -10.11717510
  O     17.25542505      6.32245427    -10.37657280
  H     17.05591072     12.20225906    -10.37121717
  H     20.96233267      6.67048836    -14.18150596
  O     13.78246831     10.95044432    -10.03092040
  H     11.81505787      8.39429227    -14.39467371
  H     19.82800045      6.14742187    -13.26714417
  O     17.99286659      5.03475742    -15.34747419
  H     11.06234289      9.40415779    -15.29060867
  H     14.41146359      6.87445124    -12.92175747
  O     15.53876144     12.06924694    -13.13420081
  H     17.77420437      3.81809562    -14.11373632
  H     14.76095755      5.36949456    -12.94718789
  O     13.22205303     10.50717253    -12.77972177
  H     17.91996102      2.34594000    -13.65943360
  H     15.81513918     10.21767532    -15.69309006
  O     17.31528796      8.86783950    -11.47661887
  H     12.54946668      6.51684893    -13.51842276
  H     17.15536578     10.02465546    -14.95693598
  O     14.65872179      8.28549155    -11.90618097
  H     11.58938506      6.97313644    -12.41263743
  H     15.36891097      6.58953388    -14.78918190
  O     11.61207314      6.67178277    -10.49799333
  H     17.33900273      7.22476726    -10.71803229
  H     15.44052403      7.66429967    -15.89698615
  O     20.01452680      6.64410315    -14.08425414
  H     16.70821061      6.37671759     -9.58380175
  H     18.85219383      4.39310221    -12.30423341
  O     14.32852040      6.06679898    -13.45571670
  H     13.41172917     10.97426838    -10.92327999
  H     18.70670811      5.53602422    -11.27747069
  O     16.55709695     10.69729283    -15.30783232
  H     14.71785590     11.16348131    -10.13606970
  H     16.34663641      3.86641156    -12.28178324
  O     15.95974283      6.98947930    -15.44536844
  H     18.74599874      5.57354479    -15.07514965
  H     16.26502704      5.07443641    -11.31407587
  O     19.31170757      5.15301431    -11.92607588
  H     17.27508022      5.65452841    -15.53252420
  H     14.73600884      7.25118457     -8.57543564
  O     15.73345506      4.39906663    -11.76088853
  H     15.95786705     11.70019627    -13.92470744
  H     15.41917176      6.60458780     -7.34737831
  O     15.34232413      6.54277266     -8.29605282
  H     14.66281476     11.66456593    -13.09027190
  H     12.74248137      7.94267295     -9.63778262
  O     13.55646199      8.33638860     -9.29900977
  H     13.74347836      9.72742495    -12.53254826
  H     13.53929970      9.29534245     -9.44236747
          69
 Energy    -249.14871616561726     
  O     18.44435099     10.89098084    -18.64793768
  H     18.51236501     11.49813900    -19.37970928
  H     17.47471017      4.56672367    -11.80318512
  O     15.24059369      6.19865882    -13.32381234
  H     17.60453201     11.09611443    -18.19405540
  H     20.74379671      8.60053138    -16.95324873
  O     18.48270211     11.83530836    -11.96425337
  H     15.10071086      6.41161477    -14.25384434
  H     20.81554586      9.84397945    -16.06915535
  O     21.42567932      7.74491817    -13.80136905
  H     14.92896462      6.94987517    -12.80339676
  H     16.86491506      9.64227713    -14.65541256
  O     14.66698510     11.01032261    -10.31758260
  H     18.73684352     12.44144829    -12.67638816
  H     17.73735860      8.60444423    -15.42481948
  O     14.96926534      8.50540587    -11.68742967
  H     18.88521307     10.98326609    -12.18206934
  H     16.16189420     12.13876729    -16.58513295
  O     18.88219164     13.28712523    -14.27075236
  H     22.33880119      7.57881036    -13.58426053
  H     15.58100058     10.81173619    -17.14942525
  O     19.26611922      5.97609212    -14.42238946
  H     21.41715396      8.16897083    -14.67881388
  H     18.27026147      8.44043354    -11.54801853
  O     15.22727017     10.02660937    -13.97816596
  H     14.15480656     11.28137962     -9.56060631
  H     17.66448131      7.06150541    -11.22800949
  O     17.78371232      7.05542993    -16.41594533
  H     15.58046360     10.87058193    -10.00514496
  H     14.59116319      9.72713189    -15.65131142
  O     15.09686694      6.68034984    -16.15304628
  H     14.67750179      9.27112566    -11.17899156
  H     14.60746262      8.51958705    -16.58246356
  O     17.57280816      5.43442700    -12.18664967
  H     15.88407555      8.33313505    -11.41661473
  H     17.46090328      9.62619771     -9.95834335
  O     21.21668096      8.97367503    -16.20202457
  H     19.26597240     12.65247487    -14.89157664
  H     17.78369665     11.08577759    -10.34948440
  O     17.76992550      9.41604811    -14.90422002
  H     18.00599429     13.48064259    -14.62295036
  H     20.15576158      8.80905575    -12.94040925
  O     16.21788708     11.52135452    -17.32155505
  H     20.03354619      6.49046745    -14.14516628
  H     18.78431198      9.29331248    -13.47419289
  O     17.62954890      7.99202565    -10.97564727
  H     18.76179659      5.77178456    -13.62526289
  H     16.73450129     12.17894659    -12.33605291
  O     14.50485669      9.47711360    -16.58333100
  H     15.08809085      9.40758851    -13.24988704
  H     15.28547080     12.04291990    -11.80196887
  O     17.26700303     10.54590827     -9.73607627
  H     15.38052879     10.88591038    -13.56730354
  H     19.64800704      7.96462878    -19.23036213
  O     19.35632436      9.28557030    -12.69027006
  H     18.34260492      6.60044074    -15.76444596
  H     19.04455842      9.18201515    -18.49591823
  O     15.80467475     12.34368866    -12.55735576
  H     18.34176067      7.38063790    -17.13144529
  H     15.59608269     14.22399205    -15.23089473
  O     19.40217950      8.28844588    -18.36682968
  H     14.80151619      5.95599512    -16.69990148
  H     15.90911541     13.12920086    -14.19404363
  O     16.10293443     13.42541835    -15.09790107
  H     16.05430536      6.76886352    -16.30160214
  H     18.88297990     10.64163887    -15.62541979
  O     19.54933850     11.21388083    -16.03902383
  H     16.72749146      5.64367501    -12.62494244
  H     19.28778844     11.28518175    -16.96389419
          69
 Energy    -249.14846840230638     
  O     15.51439925      9.34874488    -16.53409035
  H     15.97416301      9.12899946    -15.71122919
  H     16.37586228     10.33302842    -17.64647386
  O     20.41961510      9.58849502    -11.12716357
  H     14.69707699      9.78847996    -16.26936995
  H     20.59804210     16.23882836    -13.88545464
  O     21.12410327     11.98446369    -12.27539692
  H     20.76428164     10.44242256    -11.43972961
  H     19.54951231     15.92787019    -12.80265703
  O     13.82333517     11.52926128    -13.11274250
  H     21.13564230      9.15514841    -10.66954527
  H     19.97830149     11.74134158    -15.52525176
  O     17.74406750     10.46566112    -10.53073891
  H     20.99428640     11.80703581    -13.22000275
  H     21.39122347     12.22733573    -15.14755914
  O     16.77204554      9.08758112    -14.08886890
  H     21.67604731     12.77272780    -12.20139986
  H     16.24350807      9.91346773    -11.19303658
  O     14.78854346     12.80771833    -17.27116120
  H     14.38188688     10.95210344    -12.57868776
  H     14.97324997      9.04646040    -11.04223471
  O     18.17156007     14.98844738    -15.90999001
  H     14.22238340     12.40853743    -13.09742265
  H     15.15592295     14.34224767    -16.62265557
  O     22.50129518     14.40323835    -12.32681723
  H     17.90423571     11.36849317    -10.84038211
  H     14.79357710     15.84492449    -16.52650910
  O     18.44371664     12.29630702    -16.36811618
  H     18.59560151     10.02178368    -10.61415485
  H     19.77206561     15.74016076    -15.90693401
  O     13.30604484     10.94894560    -15.71591808
  H     16.33787422      9.08155699    -13.22731438
  H     20.82088291     16.73999755    -16.44507881
  O     16.79849699     11.00098287    -18.21840522
  H     17.73101193      9.00610310    -13.96535547
  H     18.01118065     15.11128916    -14.03756503
  O     20.48719766     16.11325181    -12.93362155
  H     14.23492700     12.20868863    -16.75389950
  H     16.87128126     14.93184048    -13.03305758
  O     20.74564198     11.52413144    -14.97941469
  H     15.46116257     12.25869878    -17.69075567
  H     22.55989714     13.99505508    -14.24076514
  O     15.44199390      9.60818724    -11.65424906
  H     17.23608618     15.16533705    -16.07073835
  H     21.81698781     14.54572189    -15.46502038
  O     15.38238382     15.18085020    -16.17874038
  H     18.32633294     14.06125750    -16.14598555
  H     19.83063071      9.18132742    -12.90714620
  O     20.67425949     16.07743382    -15.77473304
  H     23.17385971     14.84824086    -11.81876180
  H     19.99036132      9.84384333    -14.29193424
  O     17.80172802     15.18262389    -13.09555146
  H     21.77936592     15.04361583    -12.46053310
  H     16.91376100     10.90665623    -14.07336172
  O     22.32347965     13.78623353    -15.15237841
  H     17.92485311     12.13228011    -15.56321138
  H     17.63415502     12.04792231    -13.28137830
  O     19.49705406      9.16802684    -13.81198913
  H     17.98543356     11.84924589    -17.08947874
  H     15.90022454     13.16945068    -13.82501474
  O     17.09446612     11.85477479    -14.05985036
  H     13.47026061     11.13475827    -14.77501254
  H     15.18685973     14.39769281    -14.43125330
  O     15.31653039     13.91511824    -13.60606771
  H     12.37820921     10.74313511    -15.79447613
  H     19.43818142     12.59828406    -11.95588814
  O     18.49785237     12.78955984    -11.84075374
  H     16.92382095     10.59430428    -19.07100452
  H     18.33668711     13.68428014    -12.16469676
          69
 Energy    -249.14829827429770     
  O     16.26322549      6.39408902    -14.14183375
  H     17.09374932      6.47911249    -13.65674939
  H     20.05208747      8.77699558    -14.38730037
  O     18.04409126      9.31202975    -11.36841227
  H     15.53979122      6.42636489    -13.49928534
  H     14.90249098     11.75103073    -16.65603084
  O     17.45763997     10.91875810    -15.42274297
  H     17.24705934      9.81114493    -11.59899206
  H     15.23111150     13.24551608    -16.86786675
  O     12.54556746      6.21761881    -14.96940297
  H     17.89604477      8.95352877    -10.48454614
  H     14.73883166      9.05653493    -14.84962906
  O     14.70337455      7.55235202     -9.07080668
  H     16.84129886     10.22793554    -15.12797458
  H     15.94728613      8.15036144    -14.47366513
  O     13.97134136      6.60329886    -12.56626172
  H     16.89710696     11.63417751    -15.73663280
  H     12.60852604     10.09819451    -12.42233693
  O     15.73536488     10.54660039    -12.23458251
  H     11.83586064      5.68835495    -15.32239940
  H     12.92369827     11.34981028    -13.27089450
  O     15.98511763      8.06820838    -18.12368812
  H     13.30695791      6.10756640    -15.56954473
  H     17.88582766      5.88179136    -11.29290081
  O     14.75561415      4.98189493    -10.44759640
  H     14.59307788      6.65868578     -9.41521004
  H     17.49388958      6.36636146     -9.89007188
  O     18.31444963      8.66237284    -16.85500678
  H     14.23601902      8.13296228     -9.68688856
  H     18.84586904     10.63776215    -14.18149765
  O     14.78941643      6.07085196    -16.46042173
  H     13.36706553      6.32162825    -13.26465067
  H     19.11409153     10.06144675    -12.76642033
  O     20.19703823      7.90283634    -14.79483230
  H     14.07293745      5.90649081    -11.90380851
  H     18.38896141      7.74829139    -12.27579675
  O     15.23955404     12.55210351    -16.21337019
  H     15.70570328      9.96572421    -13.01294574
  H     19.20026156      7.09949332    -13.42661017
  O     15.64581243      9.06586164    -14.51851665
  H     15.38149654     11.39082881    -12.53494133
  H     16.40414420      7.92596364     -8.93228055
  O     12.31910236     10.60266037    -13.19441272
  H     16.83609085      8.22629135    -17.67816964
  H     17.64131915      8.17878994     -8.03856271
  O     17.39524928      5.62578562    -10.50164160
  H     16.19075523      7.87315585    -19.03490294
  H     13.70230398      9.87072880    -16.77118056
  O     19.52940204     10.25116959    -13.61722033
  H     15.71656566      5.13728903    -10.49962131
  H     14.90589413      9.57780224    -17.68589512
  O     18.56743593      6.90799537    -12.72376527
  H     14.63848322      4.11207771    -10.07579170
  H     13.72308014      8.20317347    -11.73718701
  O     17.37237887      8.03245021     -8.94154089
  H     18.94656436      8.25634214    -16.25237635
  H     14.39050323      9.57611156    -11.45141752
  O     14.33501252     10.28950715    -17.37248331
  H     18.13176054      9.53788922    -16.48700030
  H     14.65913573     12.63636179    -14.47509581
  O     13.63328636      9.01910173    -11.22128559
  H     15.12907288      6.72677119    -17.08020156
  H     14.21292711     13.57394683    -13.33414651
  O     14.37159290     12.65738623    -13.54898247
  H     15.42565643      6.04336682    -15.73053924
  H     12.67698072      8.11418561    -15.20514713
  O     12.95401284      9.02685691    -15.33640269
  H     21.13377456      7.82778707    -14.95707527
  H     12.60330715      9.56023593    -14.60676674
          69
 Energy    -249.14804997595917     
  O     17.97535084      9.07707141    -11.17090576
  H     17.56822554      8.34782692    -10.68603596
  H     18.95700451      9.75412977     -9.77699598
  O     13.79835794      9.77898680    -10.85863936
  H     17.26702690      9.62984362    -11.52332925
  H     20.13581423     10.14705482    -13.04585963
  O     19.64176529      3.51768020    -10.52282910
  H     14.35745447      9.65375039    -10.06968304
  H     19.21983340      9.09882664    -12.38592490
  O     21.30026259      7.29845604    -11.57712831
  H     12.98138056     10.16865664    -10.56093054
  H     20.68711331      4.25981469    -11.97767198
  O     15.50937116      9.46576397     -8.81196333
  H     19.65842854      2.62897633    -10.17976855
  H     21.22492026      5.64991245    -12.37728855
  O     18.83155233      5.02799832    -14.36958059
  H     18.83046018      3.60126383    -11.05764618
  H     17.79931251      4.34276434    -12.91403064
  O     22.97315265      8.76476906     -9.87498164
  H     21.96634730      7.74180836    -11.03724190
  H     16.73399561      4.45597369    -11.78942392
  O     16.99008992      7.12431629     -9.50023952
  H     20.90961029      7.96893025    -12.15423220
  H     15.17500093     10.47386872    -11.89700446
  O     20.88315056      8.07349085     -7.99248208
  H     16.10481131     10.21619294     -8.69762173
  H     15.91203174     10.12517048    -13.21670538
  O     17.27039857     11.75154599     -8.62381721
  H     16.05302254      8.66999325     -8.87962939
  H     15.42592040      8.98008391    -15.42970657
  O     17.83132780     12.46518012    -11.39369489
  H     18.96135030      4.48755141    -15.14522377
  H     16.62929356      8.44093349    -14.62122714
  O     19.38367157     10.13646313     -8.99655052
  H     19.64581539      4.95188767    -13.84048355
  H     21.31606577     11.46601476    -11.13251932
  O     19.92506024      9.20672363    -13.04662594
  H     23.90719897      8.89816398     -9.74065221
  H     20.88381230     10.88523569     -9.78024760
  O     20.98114242      4.78338280    -12.73276231
  H     22.58648619      9.64041156    -10.05803808
  H     14.82037127      7.87918698    -13.21283856
  O     17.48868813      3.93816054    -12.09463727
  H     16.42653719      6.48788609     -9.95811239
  H     14.08203638      8.24039968    -11.90626265
  O     15.97597385     10.64962518    -12.40759393
  H     17.87801092      6.74208779     -9.44728739
  H     18.88120846      8.26359205    -14.25627642
  O     15.74830043      8.85033853    -14.54211786
  H     21.69017408      8.22695916     -8.49934490
  H     18.40277689      6.82931697    -14.59927089
  O     21.66349592     11.09494754    -10.31379854
  H     20.45980874      7.30178033     -8.39269303
  H     20.42298635     12.73931086    -13.18014860
  O     14.37533785      7.49635156    -12.44718660
  H     17.32335847     12.31542740     -7.85612427
  H     19.38932106     12.19751115    -12.16927119
  O     18.19120118      7.76378820    -14.71173119
  H     18.08573103     11.21809861     -8.63458696
  H     14.97778314      6.14025093    -11.58216161
  O     20.23348234     11.99763849    -12.61157201
  H     17.13876051     11.96580549    -11.84893788
  H     14.58444511      4.93877583    -10.69158757
  O     15.33420471      5.42585242    -11.02423720
  H     17.64252878     12.36199028    -10.45438031
  H     19.63837032      5.22441070     -9.80241310
  O     19.60219321      6.17372700     -9.63249638
  H     19.84598327      9.42566001     -8.52993592
  H     20.11951555      6.59527483    -10.33395954
          69
 Energy    -249.14780822047686     
  O     17.10040088     11.83112046    -17.48098590
  H     17.66770161     11.41565524    -16.81268016
  H     14.28363596     14.43096364    -12.69904537
  O     19.62647983     17.44791301    -14.11132647
  H     17.55604517     12.63516479    -17.75430174
  H     20.57262049     14.31447909    -14.17577663
  O     18.48256194     10.80032210    -15.25959642
  H     19.94879682     17.83183676    -13.28696384
  H     20.55226603     15.87667589    -14.31900255
  O     16.82262337     15.69602207    -11.29392180
  H     18.69693632     17.20896952    -13.98220665
  H     17.94277452     14.23922434    -11.17569984
  O     15.07198520     16.99639905    -15.86787754
  H     17.71927051     10.54112828    -14.72775833
  H     19.24857783     13.69040176    -10.55020706
  O     16.14743573     11.98989300    -11.63771484
  H     18.98160347     11.41516129    -14.70933535
  H     15.40011657     11.63923829    -14.92778448
  O     14.06370380     14.62813811    -14.42081288
  H     16.91197939     16.09121148    -12.17299429
  H     15.75403896     12.17360622    -16.33742538
  O     21.00838328     15.20755402    -17.20317636
  H     15.95895498     15.26490503    -11.29231156
  H     20.12220863     16.92052801    -17.12005637
  O     18.99712903     16.86203410     -9.93220954
  H     14.44092602     17.66971723    -16.11246852
  H     19.58476950     17.72832826    -15.92852480
  O     19.44197683     13.01439571    -13.68184984
  H     15.72800595     16.96040566    -16.58142292
  H     21.66727809     16.63387227    -11.77397562
  O     18.33208909     14.42050036    -17.68971899
  H     16.99556828     12.36035243    -11.36105686
  H     21.86549073     15.43396639    -12.72163788
  O     14.43347833     14.28707284    -11.74778072
  H     15.52022544     12.72274494    -11.64314207
  H     19.99221689     17.81811858    -10.98794315
  O     21.08811695     15.08279460    -14.46523167
  H     14.33963890     13.82405853    -14.88545669
  H     20.88160549     19.06289995    -11.22745813
  O     18.49054442     13.44503893    -11.09430944
  H     14.36260724     15.36997634    -14.95571020
  H     21.20762980     14.89582731    -10.47307543
  O     15.25394214     12.37870011    -15.53173755
  H     21.82223415     14.92720109    -17.61370409
  H     21.29801179     14.23211553     -9.07804749
  O     19.51119370     17.63039582    -16.88818153
  H     21.12947929     15.10544266    -16.24364999
  H     15.70586608      9.49416682    -13.50980472
  O     21.98671222     15.72345383    -11.80959693
  H     18.16141385     16.53481678    -10.29085991
  H     16.10193864     10.88587446    -12.96056308
  O     20.60315075     18.23975727    -11.61913613
  H     19.51583318     16.08163386     -9.70016929
  H     17.74527059     14.21904497    -15.98225139
  O     20.68035699     14.53945104     -9.73583044
  H     18.68936809     13.37215007    -14.17835507
  H     16.63845111     13.54071894    -15.13567645
  O     16.05783620     10.34184697    -13.76716909
  H     19.19051859     13.06698090    -12.75082579
  H     16.98126197     17.39363361    -18.71681137
  O     17.38389049     14.15271011    -15.08824515
  H     17.86846013     15.24726623    -17.86836700
  H     17.92205499     17.31191994    -17.49072601
  O     17.06924318     17.00443603    -17.84980235
  H     19.27146512     14.63040908    -17.60532435
  H     16.31438008     16.93044889    -14.42532800
  O     17.03636080     16.56460675    -13.90392123
  H     13.57531656     14.29803810    -11.33183105
  H     17.18283429     15.67521187    -14.26780473
          69
 Energy    -249.14748262541971     
  O     10.68982415      9.32568050     -8.68892232
  H      9.87779194      9.32729042     -8.18732610
  H     13.52049717     12.18688890    -13.86265562
  O     13.59896360      9.13312399    -16.61287236
  H     10.57264258      9.97193740     -9.40618288
  H     16.54799265      9.41979098     -9.65620502
  O     11.45573145      7.44526896    -10.77674284
  H     12.78979843      8.60734683    -16.55981956
  H     16.82610739      8.90268350    -11.08618954
  O     14.43120327      8.56018261    -14.08451634
  H     13.31026046     10.04816155    -16.71671995
  H     16.72834792      6.81872351    -12.67029027
  O     12.51857030     11.80180081    -16.72516635
  H     11.09671472      7.96724549    -10.05098381
  H     15.63875223      7.86041220    -13.01532627
  O     11.75239664      8.40558591    -13.33425218
  H     12.40050032      7.35922010    -10.58260011
  H     12.87643729     15.65205090    -12.16711295
  O     15.52578929      8.71662743     -8.16542492
  H     14.31278347      8.72010998    -15.03256496
  H     12.47342138     14.35094828    -11.43933488
  O     13.42548936     10.39934068    -10.91800148
  H     13.53944100      8.46082394    -13.71999899
  H     14.63640743      7.90272411     -9.54345008
  O     13.25585127     10.01466654     -7.48951541
  H     12.68625039     12.48531163    -17.36966953
  H     14.87219623      7.48857473    -11.01965933
  O     15.37287768     13.88882168    -10.61355141
  H     12.61014514     12.21641012    -15.85174149
  H     17.09633648     11.14814323    -11.30969405
  O     10.73847753     11.02333594    -10.82742924
  H     11.38497914      9.29950924    -13.35560224
  H     17.99340440     12.15244848    -12.07273378
  O     12.76806169     12.73659022    -14.13298813
  H     11.56662443      8.02982982    -12.46184709
  H     11.33139488     11.63459276    -13.70949317
  O     17.00214252      9.63266886    -10.47984605
  H     15.95007308      8.37499307     -7.38303876
  H     10.24893827     10.80384781    -14.44286455
  O     16.22187711      7.54002607    -12.30565468
  H     14.72996320      9.19177015     -7.86487559
  H     13.74273945     11.60822695     -9.58945210
  O     13.01076926     14.70758413    -12.16979586
  H     13.90726702     10.68851745    -11.70260242
  H     14.48174719     12.92874867     -9.32592769
  O     14.18604978      7.68395964    -10.37046795
  H     13.65794539      9.47918350    -10.74861691
  H     15.65787242     11.40994024    -12.88884629
  O     17.08439469     11.93425535    -11.88532047
  H     12.39231592      9.76009729     -7.83428217
  H     14.81690023     10.26976943    -13.58988756
  O     10.63721025     10.97598714    -13.57370174
  H     13.42315036     10.91838617     -7.79543546
  H     10.31561306      9.46113844    -16.24862740
  O     13.85839852     12.30644622     -8.92633495
  H     14.70042796     14.16703745    -11.24608291
  H     10.82133041     10.88835967    -16.52489103
  O     14.78937576     11.16801449    -13.23460205
  H     15.97182669     13.29677935    -11.08365459
  H     11.13656699     12.80901755    -10.34435270
  O     10.05883198     10.39075342    -16.20260619
  H     11.68334037     10.79935103    -10.86072233
  H     12.35060480     13.27380994     -9.53280638
  O     11.64419287     13.59579010    -10.10930652
  H     10.44548377     11.02274115    -11.74743844
  H     10.80332739      6.88852346    -16.06411116
  O     11.17526722      7.75972382    -15.95369853
  H     12.78160310     13.50531865    -13.54969733
  H     11.33614401      7.87614236    -15.00186991
          69
 Energy    -249.14722394745206     
  O     13.80143895      2.93878530    -15.92077292
  H     13.00876890      2.46157091    -16.15355881
  H     17.90112468      8.65277807    -16.17193016
  O     17.54437901      6.84342495    -12.10224792
  H     13.76707262      3.79043966    -16.39454099
  H     15.54135434      5.70736823    -16.12474245
  O     19.55812089      5.66038897    -17.60426021
  H     18.36507996      6.86594418    -12.61583694
  H     16.82486824      5.14956824    -15.42658485
  O     17.29385501      4.50319523    -18.97813878
  H     16.89297454      7.33330302    -12.62324859
  H     12.72568487      7.38303271    -14.92594630
  O     13.30523221      6.90344126    -10.31585605
  H     18.82599733      5.27000468    -18.09444508
  H     13.24534962      8.02308034    -16.25406992
  O     14.09407833      4.27138287    -13.41657294
  H     19.24379677      6.52225378    -17.29485736
  H     14.91618568      3.67814591    -10.06463984
  O     15.71312428      7.94897611    -13.86394774
  H     17.56924058      3.98510420    -19.73089443
  H     15.91891234      2.92382659     -9.15664369
  O     17.78335000      3.65028029    -14.89132424
  H     16.95434065      3.87058725    -18.31959810
  H     14.32510642      5.75184020    -17.86723146
  O     13.32655247      4.05728675    -10.70665689
  H     12.91819898      7.43808401     -9.62795780
  H     13.37120505      6.03543488    -16.66456489
  O     16.41470021      2.76302123    -17.09933996
  H     14.25581592      6.83216299    -10.11511763
  H     19.24247290      7.31977781    -14.71060269
  O     20.41611745      4.49459985    -15.30939553
  H     13.99869768      3.74050099    -14.21503189
  H     19.99538612      6.06481998    -14.26014271
  O     18.31544966      7.79779153    -16.33273600
  H     15.02476099      4.24290596    -13.15411105
  H     17.03766717      5.11825629    -12.31466676
  O     16.35203039      5.95643571    -15.66666058
  H     15.94155061      7.24219103    -14.48789680
  H     16.54278858      3.86978795    -11.53640522
  O     12.61729873      7.38384622    -15.88407329
  H     14.82283589      7.74419086    -13.55003502
  H     16.02745426      5.53704839     -9.66946380
  O     15.85662721      3.60436915     -9.82074413
  H     18.72292148      3.86595956    -14.94411993
  H     16.59549681      6.70893943    -10.49470810
  O     13.93421437      5.36044769    -17.07848678
  H     17.50666391      3.71293030    -13.96659206
  H     16.17834194      5.95429253    -19.03854492
  O     19.59460615      6.87631215    -13.92850796
  H     13.43536798      4.01284065    -11.66656195
  H     15.34515610      6.87358681    -19.95568222
  O     16.73273640      4.20494887    -12.42077892
  H     13.15154380      4.98581427    -10.50831176
  H     13.50152775      6.00790217    -13.29215956
  O     15.94728435      6.48787681     -9.81243848
  H     16.96664920      2.92524645    -16.31965494
  H     13.16346069      7.02318747    -12.17471940
  O     15.49365455      6.64127605    -19.04138852
  H     15.51837589      2.66681933    -16.75954111
  H     16.71826405     10.78562006    -15.11781819
  O     13.26841438      6.93441065    -13.12991764
  H     20.18968098      4.88013674    -16.17545410
  H     16.29377323      9.32497952    -14.83309086
  O     16.64459296      9.92273480    -15.51664992
  H     21.28011945      4.10215785    -15.39782473
  H     15.05115832      8.18448086    -17.80942293
  O     14.62047380      8.81523410    -17.22262374
  H     17.61997874      7.13621122    -16.19023391
  H     15.32450845      9.27833496    -16.75428312
          69
 Energy    -249.14705949096344     
  O     -1.08071977     -0.77367974      4.88119396
  H     -0.45443301     -0.05036608      4.75294028
  H     -1.93795461     -0.06348907      0.59388127
  O     -0.21304017      2.69093146      6.42720076
  H     -0.93918256     -1.38140649      4.14239713
  H      1.59820546     -0.00822795      3.28691160
  O     -5.82724821     -0.43083492      1.41881380
  H      0.20295066      3.13394915      7.16204758
  H      2.84076815     -0.88348709      3.01215917
  O     -5.62370590     -1.21189239      4.08226039
  H     -0.98184925      2.21388653      6.78795604
  H      1.22679565      1.73504369     -0.01900122
  O     -4.25305217     -3.42167856      5.23888235
  H     -5.95673773     -0.73909042      2.32761307
  H      1.60101539      3.03974231     -0.74533049
  O     -0.47132764     -2.21686328      2.58393180
  H     -5.72037369      0.52469344      1.47615499
  H      0.15355223      2.88063460      1.46713496
  O     -2.95587499     -3.50890374      2.87278184
  H     -4.81994994     -0.68147908      3.94954873
  H     -1.25084518      2.32696265      1.83662987
  O     -3.01098269     -1.35867855      6.77522755
  H     -5.32100721     -2.05441742      4.44172386
  H      0.19768528     -0.41054402      0.01907131
  O     -2.42239651      1.42450274      7.34597426
  H     -3.75581982     -3.50580120      4.40478617
  H      1.44538438     -0.31170265      0.92286353
  O     -5.04334455      2.52927327      6.93916542
  H     -4.53633972     -4.29990516      5.47886404
  H     -1.24645978      3.66267238      5.10076251
  O     -5.56686182     -0.08567219      6.66181621
  H     -0.85618047     -1.77575307      1.81159146
  H     -1.29389074      3.71479065      3.56295765
  O     -1.60703997     -0.94651891      0.37321112
  H      0.44032734     -1.90649656      2.64130028
  H     -3.60296402      1.22967317      4.10438444
  O      1.93612812     -0.74023281      2.74504359
  H     -2.03115041     -3.23931060      2.80752990
  H     -2.59813200      0.02747341      4.25885156
  O      1.24386507      2.70317333      0.07148418
  H     -3.39245724     -3.15156590      2.08991189
  H     -4.52754758     -2.82733842     -0.15094803
  O     -0.47143486      2.77061065      2.19767637
  H     -3.43924399     -2.13349412      6.38788097
  H     -4.69000950     -1.61506771      0.79123874
  O      1.08586545     -0.03569755      0.07122762
  H     -2.23731326     -1.20462604      6.21243425
  H     -4.63319509      2.90504456      5.17406188
  O     -1.77812474      3.97353778      4.35949488
  H     -3.27466868      1.87061992      7.27293963
  H     -3.43531133      3.39387671      4.29786688
  O     -3.36614486      0.35215873      3.77424669
  H     -2.60589351      0.47894775      7.30762934
  H     -5.87413344      3.16148018      1.44197015
  O     -4.07063565     -2.31016637      0.50772828
  H     -5.33926239      1.60229374      6.87131082
  H     -5.02959069      2.66138477      2.63215442
  O     -4.29088524      2.93550680      4.27261982
  H     -5.59584504      2.95032118      7.59167587
  H      0.54767806      1.77900154      5.00694282
  O     -5.31544206      2.44352593      1.72904506
  H     -5.83831677     -0.40542191      5.79230359
  H      0.31942790      1.78812167      3.47284989
  O      0.70319469      1.27291584      4.19919441
  H     -4.71881984     -0.51868898      6.82688322
  H     -2.89610734      0.90400352      2.15744394
  O     -2.72227933      1.38408650      1.33096577
  H     -2.39679838     -1.49153843      0.26754691
  H     -3.53842328      1.86485772      1.15917147
          69
 Ord_Energy   -249.147003    
 O   -7.00149679       4.33701563       6.48808670    
 H   -6.68396044       4.59356785       7.36213446    
 H   -7.78788805       3.78596544       6.61225510    
 O   -3.40160322     -0.437399477       8.19330311    
 H   -3.11004972      0.461606562       7.96507454    
 H   -2.78357720     -0.773008108       8.83756447    
 O   -3.38489079     -0.855202079       5.28860617    
 H   -2.73442554     -0.194273263       5.02597618    
 H   -3.37310982     -0.859680831       6.25207138    
 O   -9.11814594       1.83764625       1.53533864    
 H   -8.92476845       2.69910359       1.94891310    
 H   -9.26704597       2.00392365      0.608690798    
 O   -10.7570353       3.80807996       4.87900162    
 H   -11.5997658       4.25390387       4.86504459    
 H   -10.8933268       2.93542886       4.46648645    
 O   -7.48956585      -1.92871082       6.52223158    
 H   -7.79546738      -2.82389045       6.63332939    
 H   -6.89164066      -1.92377162       5.74978161    
 O   -5.33808327       2.38948250       3.49976349    
 H   -5.70545483       3.28360367       3.50252151    
 H   -5.28711510       2.12512374       4.43204355    
 O   -6.22202396       5.01688099       3.96722436    
 H   -6.56120920       4.84557772       4.86104822    
 H   -5.33227110       5.36353493       4.10176229    
 O   -2.68802667       3.25617146       3.53302598    
 H   -2.86463451       4.11210728       3.94064641    
 H   -3.55944633       2.88139248       3.34289002    
 O   -3.57109833       5.65693378       4.83243942    
 H   -3.11460662       6.49457598       4.82104397    
 H   -3.58969569       5.36644697       5.76112700    
 O   -2.81118298       2.04244375       7.15798044    
 H   -3.70865560       2.06916142       6.78551245    
 H   -2.21818757       1.82747746       6.42545319    
 O   -5.40261984       2.00580621       6.21427488    
 H   -5.77954626       1.30183792       6.75670004    
 H   -5.91836691       2.80767250       6.36593962    
 O   -10.8326855       1.33276713       3.75973678    
 H   -10.3773651       1.40438473       2.91090679    
 H   -10.2319555      0.842074215       4.33694077    
 O   -5.88683319      -1.68702292       4.40166521    
 H   -6.25199652      -1.05346882       3.77207088    
 H   -4.98608017      -1.40209174       4.61378956    
 O   -8.69210625       4.16635323       2.86319256    
 H   -7.87274599       4.57820320       3.16370416    
 H   -9.31729889       4.20641804       3.59640050    
 O   -7.43450642       2.27516770       9.11587143    
 H   -7.00856781       1.43835950       8.88564777    
 H   -8.15974808       2.38039207       8.48681164    
 O   -8.69841671      0.334244967       5.33239508    
 H   -8.12887001      0.401894510       4.55233574    
 H   -8.44244862     -0.475584626       5.78763866    
 O   -3.56956863       4.74613380       7.41556883    
 H   -3.15474391       3.87395120       7.44395924    
 H   -4.30541039       4.70857000       8.03755856    
 O   -7.16608334      0.419523031       2.98891449    
 H   -7.82301188      0.772117436       2.37705731    
 H   -6.48206139       1.10086954       3.07203317    
 O   -1.44756138       1.26311934       4.84817648    
 H  -0.570343792       1.11218917       4.50758982    
 H   -1.83347368       1.98450136       4.31877995    
 O   -6.17392492       1.44710401E-02   8.03587341    
 H   -5.25921917     -0.256187648       8.18724823    
 H   -6.62904739     -0.715102136       7.59553862    
 O   -9.12632275       2.62568879       6.83588409    
 H   -9.77966499       3.10002255       6.30616188    
 H   -8.94222927       1.80215204       6.35939169    
 O   -5.92253494       4.53355408       9.06578159    
 H   -6.10362864       5.05777836       9.84154987    
 H   -6.41581869       3.70012045       9.17338276    
          69
 Energy    -249.14697873100801     
  O     -3.91335724      1.45364267      4.65346522
  H     -4.34994460      2.23396309      5.02170156
  H     -7.31646982      5.56195642      1.39958964
  O      0.50335816      4.74167499      0.93201289
  H     -4.40914115      0.67361656      4.93512234
  H     -0.30057633      2.14275500     -1.00171867
  O     -1.03861143      0.16709455      1.34918311
  H      0.49406010      4.01646425      0.28220938
  H      1.00135147      1.89664142     -0.20879631
  O     -4.19039031     -0.55452255     -1.35415603
  H      1.00621850      5.45247154      0.54359304
  H     -5.24637331      4.32768266      6.24095709
  O     -4.49153641      1.14946328      1.93820667
  H     -1.34688231      0.57825502      0.52796235
  H     -4.88045008      4.38594297      4.73674746
  O     -7.27872159      2.94923390      3.67898872
  H     -0.07444130      0.19405818      1.32463767
  H     -1.85456383      3.68209251      2.63815366
  O     -7.75181972     -1.33064943      1.49002648
  H     -4.99146424     -0.15293211     -0.97772001
  H     -1.17515382      4.74455273      1.73912404
  O     -1.49136272      2.06338154      3.40607147
  H     -4.46724172     -1.04572823     -2.12388780
  H     -3.60049196      5.13457514      2.90400254
  O     -6.34219999      0.55239190     -0.00176411
  H     -4.41284596      1.33871442      2.88030828
  H     -5.13959036      5.19326627      2.66440977
  O     -5.52066230     -2.27529744      2.73273378
  H     -4.08767542      0.28430109      1.78928239
  H     -5.80764985     -1.16710078      5.99856098
  O     -3.53355911      3.13846913      0.28960010
  H     -7.15996066      3.56812259      2.94957114
  H     -6.36544474     -0.37898063      4.78633713
  O     -6.70653513      4.86463973      1.62748385
  H     -6.66821644      3.23913152      4.36703330
  H      1.05945314      3.55717897      2.36507747
  O      0.51770371      2.56451416     -0.71093992
  H     -6.97206453     -1.73561584      1.91212290
  H      0.32909426      2.57052859      3.29713056
  O     -5.18228479      3.79606235      5.45279310
  H     -8.41322731     -2.01390634      1.42207091
  H      2.54697994      0.34363082      1.31881289
  O     -2.01472328      4.50318155      2.14865394
  H     -1.40502102      1.38324217      2.72404099
  H      1.62179150      1.45832962      1.86733398
  O     -4.45159791      5.27781359      3.33671559
  H     -2.25013867      1.82097018      3.95254098
  H     -7.63168885      1.20842601      3.78986389
  O     -5.55265973     -0.75081872      5.17957068
  H     -5.80554666      0.86017210      0.74602263
  H     -7.86261493     -0.15514539      3.07405965
  O      1.19706502      2.78541974      2.92841428
  H     -6.96173556     -0.08499115      0.37518135
  H     -3.56755180     -1.23469768      0.31805210
  O      1.69662873      0.75570167      1.19610305
  H     -5.43353386     -1.84960399      3.59416963
  H     -2.44355410     -0.99129627      1.36447225
  O     -7.70432229      0.25173726      3.93144384
  H     -4.70189716     -2.08955215      2.25381980
  H     -2.52036770      2.03460583     -0.65085364
  O     -3.33900119     -1.34034490      1.25067861
  H     -3.01032928      3.74432580      0.82866011
  H     -2.66431570      0.65039774     -1.31349511
  O     -2.01150996      1.29550398     -1.02096711
  H     -3.87969889      2.46867344      0.90049593
  H     -5.21737664      3.37109352     -0.44773103
  O     -6.17796995      3.34442905     -0.56858110
  H     -6.57037255      4.34221120      0.81931714
  H     -6.42018849      2.41151528     -0.52536569
          69
 Energy    -249.14690038639679     
  O     19.86398330     10.19951715    -12.39299186
  H     19.75855757     11.09916664    -12.05460713
  H     17.43966165     10.91184422    -14.94555394
  O     15.43412573     15.29465571    -12.12476310
  H     20.31907104     10.29195738    -13.23790208
  H     18.34999953     14.47939921    -15.45625099
  O     20.93926530     13.58072763    -13.92996837
  H     15.11920343     16.17943878    -11.95839280
  H     19.85755763     14.16709044    -15.25310589
  O     15.89242146     11.95099283    -19.16286309
  H     14.71400911     14.82432562    -12.58790993
  H     18.52670024     13.20761997    -11.22294017
  O     19.63447696     11.69063646    -16.91459028
  H     20.41180105     13.47745603    -13.12671665
  H     18.52889320     12.55102872    -12.60531265
  O     15.77224949     11.20769961    -11.42971231
  H     21.20943530     12.68758718    -14.17432218
  H     14.85236628     14.21581024    -17.04555287
  O     16.20181642      8.46431809    -14.10370171
  H     15.50487717     11.54074899    -18.37859164
  H     14.76226241     12.85850309    -16.29901545
  O     21.24996169     10.84138537    -14.83560358
  H     15.64173576     12.88208060    -19.12118906
  H     17.75593638      8.32838839    -11.00790942
  O     18.58813097     11.96829903    -19.48824704
  H     19.38378655     11.69860779    -17.84664337
  H     18.39176797      9.39692395    -11.92522574
  O     13.59208249     14.00837308    -13.56107397
  H     19.44179715     12.57555351    -16.56868990
  H     15.22577935     15.45921816    -19.27850783
  O     16.81780767     13.64423760    -10.35079087
  H     16.14160311     11.93302798    -10.91180082
  H     16.47047895     14.81227796    -18.62468157
  O     17.53095175     10.31547566    -15.70754350
  H     16.37313716     10.45227935    -11.37051046
  H     16.39531093     15.04503440    -13.77675201
  O     19.16604289     14.25802000    -15.92484468
  H     16.62561708      8.56799172    -13.24463468
  H     16.01324411     14.45696620    -15.17049708
  O     19.11727738     12.85411661    -11.89482244
  H     16.75993205      8.94345646    -14.73285400
  H     13.41426488     10.66509482    -13.52747261
  O     14.68438412     13.81644795    -16.18277251
  H     20.72394551     11.06478317    -15.62061474
  H     14.11990064     11.22762500    -12.27561152
  O     17.54367021      9.02790955    -11.62057191
  H     22.05852417     10.44766501    -15.15552632
  H     13.14252686      8.58181220    -14.97888163
  O     15.50014167     14.75769175    -18.69437241
  H     18.80751904     11.66689099    -20.36561289
  H     14.57896101      8.94845665    -14.53675722
  O     16.75833217     14.68080402    -14.59137145
  H     17.62196074     11.88332632    -19.39627182
  H     16.93392397     12.97128091    -14.01061892
  O     13.36843772     11.36648937    -12.86758923
  H     13.78402434     13.99543165    -14.50603433
  H     16.51635647     11.81717620    -13.02725823
  O     13.72943495      9.31961982    -14.83605894
  H     13.41334744     13.09010384    -13.30634674
  H     18.62023726     14.66416263    -17.65753199
  O     17.15699011     12.08525586    -13.69804681
  H     16.33984692     14.23985329    -10.95072150
  H     18.45758346     13.83664102    -18.94830754
  O     18.20718193     14.66978814    -18.53174532
  H     16.69612000     13.98976749     -9.46945096
  H     15.92553030     10.81682484    -16.37657579
  O     15.02725094     11.07818358    -16.62750196
  H     18.27463748     10.65545209    -16.21613510
  H     14.43706072     10.50883944    -16.12026953
          69
 Energy    -249.14664183820719     
  O     -6.85047043      3.30955324      1.19733836
  H     -7.51003207      3.78072442      1.70202361
  H     -6.71330802     -1.15184751      2.15182734
  O     -4.04649703      3.99269641     -2.74825478
  H     -6.36533234      2.75266271      1.82830843
  H     -4.82521237     -1.44773567      3.48679226
  O     -5.42493951      1.53786590      2.76390999
  H     -4.07670921      4.50519297     -3.55223416
  H     -3.58559814     -1.72131808      2.61571190
  O     -3.19521749     -1.81619901      0.86585343
  H     -3.11190264      3.77466819     -2.59088510
  H     -1.46156847      1.33477958      2.76185634
  O     -1.22884975      0.44113613     -2.39953411
  H     -5.89603279      0.71444060      2.95904217
  H     -1.40575979      2.26323917      1.53484835
  O     -5.14143283      1.45969044     -2.13455852
  H     -4.57431469      1.49728652      3.21725376
  H     -3.24995949      3.81874674      0.48970009
  O     -4.83123408     -2.61025325     -1.24055423
  H     -3.67488697     -2.22739071      0.13568770
  H     -3.07216895      2.27949530      0.47788870
  O     -3.72296591     -0.80606899     -2.91008574
  H     -2.30528867     -1.57808412      0.56963335
  H      1.03315154     -0.66210426     -0.05188873
  O     -1.53357537      3.20922461     -1.97633287
  H     -1.41413261      1.38654936     -2.31801492
  H      2.02934099      0.45989757      0.24938428
  O     -0.84876635     -0.58008411      0.17472241
  H     -0.31450918      0.36544666     -2.70116786
  H      2.17209916      2.63304667      1.73883302
  O      1.56460234      0.40935848     -2.84077890
  H     -4.82487519      2.33156148     -2.39792927
  H      0.79305890      1.98038296      1.50703312
  O     -6.62787143     -0.95484753      3.10407180
  H     -4.76278614      1.26347544     -1.26316167
  H     -6.80200288      1.25712191     -1.30701189
  O     -3.86160895     -1.48458230      3.51413764
  H     -4.44146710     -2.00124181     -1.89356445
  H     -7.38706728      1.90020017     -0.04326533
  O     -0.89724878      1.59769154      2.02534498
  H     -5.03039738     -3.41889992     -1.70448836
  H     -2.71836567      1.08938887      4.92104822
  O     -2.58795188      3.11647692      0.55881381
  H     -4.29232966     -0.02912806     -2.81866216
  H     -3.15822521      0.04681334      3.86589058
  O      1.92758169     -0.35597534     -0.25657259
  H     -2.82019734     -0.47556475     -2.82481351
  H     -7.11481602     -0.51331468      0.04549270
  O      1.65294424      2.15943201      1.09314349
  H     -1.84343591      3.22359984     -1.05827904
  H     -6.21401354     -1.76668899     -0.14161286
  O     -7.47253525      1.13377101     -0.62099071
  H     -0.56867851      3.27986764     -1.94240959
  H     -4.66752933      1.03029589      1.12314266
  O     -2.86517890      0.96923232      3.98598108
  H     -1.02867168     -0.21048036     -0.70222418
  H     -3.78224392     -0.07499158      0.50441715
  O     -6.82310562     -1.33618660      0.46631040
  H     -0.88714713      0.14543704      0.81198915
  H     -5.48508587      4.31163454      0.29567665
  O     -4.08313264      0.83303979      0.38075652
  H      2.19185301      0.03361143     -3.45213433
  H     -4.63863544      4.59620737     -0.97378984
  O     -4.68814004      4.75355745     -0.02294842
  H      1.78790451      0.06421279     -1.95778323
  H      1.37689788      2.80123940     -0.72329327
  O      1.17794103      2.99967596     -1.64631372
  H     -7.40961188     -1.29829120      3.52667854
  H      1.41536475      2.20606071     -2.14204815
          69
 Energy    -249.14657108747377     
  O     14.64378000      9.23984654    -10.45710354
  H     14.42929916      9.94798787    -11.08046107
  H     17.93066745      2.75084602    -12.27138916
  O     17.12460232     10.92345290    -12.93057968
  H     13.82960878      8.77070394    -10.23552372
  H     13.15741698      6.84215528     -9.64900487
  O     12.99966024      4.65432764    -13.69637117
  H     17.65730457     10.73435745    -12.15014053
  H     11.82465975      7.53362558     -9.26515404
  O     17.04344180      6.34870169     -8.39358054
  H     16.19664300     10.80076194    -12.69078617
  H     18.58139097      6.59987010    -14.95840441
  O     15.41371612     12.91496886    -14.15289852
  H     12.63048360      5.49438519    -13.36756364
  H     19.90382174      7.22769227    -15.45908024
  O     15.89079241      7.41643830    -12.19028435
  H     12.26246194      4.06732682    -13.83979256
  H     12.37272889      9.66341942    -15.01973693
  O     14.26918068     10.99283420    -12.53009879
  H     17.03742884      7.30913870     -8.55704035
  H     13.61384754      8.88403256    -14.52403812
  O     18.62531915      7.70036969    -12.21797210
  H     17.31495907      6.22833790     -7.48709679
  H     16.33881217     10.84653801    -16.27645966
  O     18.81140389     10.03377662    -10.83422552
  H     15.40291570     12.53649389    -15.04402982
  H     15.90677815     11.69591708    -17.47904175
  O     17.66760519      5.17587170    -14.79457916
  H     16.23990451     12.60120930    -13.76733555
  H     12.23229108      7.82670337    -13.18392754
  O     15.02654831      5.43524245    -15.56778534
  H     15.59955486      6.50960404    -12.02783513
  H     12.18712925      7.20058454    -11.76507608
  O     17.55341522      3.61816332    -12.38963975
  H     15.46039512      7.99633710    -11.54917108
  H     14.60381301      5.25311334    -10.14494505
  O     12.51071638      7.51749398     -9.92684898
  H     14.48874309     11.78636660    -13.03924831
  H     15.27624607      5.91329900     -8.92660948
  O     19.10610652      7.42298023    -14.97513119
  H     13.70004815     10.45530004    -13.09556455
  H     15.85370951      4.25769967    -12.06814261
  O     12.78407916      9.30561623    -14.23663849
  H     18.90911688      7.61948848    -13.13600920
  H     14.38347863      4.60500830    -12.49052734
  O     15.67943737     11.49220497    -16.57463170
  H     17.65915136      7.60220765    -12.21425656
  H     18.05199882      5.65854822     -9.83377326
  O     12.09909064      7.00029721    -12.70463048
  H     18.84972173      9.18512859    -11.31040775
  H     18.72677571      6.18684830    -11.11957555
  O     14.41631849      5.71627578     -9.31582968
  H     19.71175743     10.30746767    -10.67861973
  H     15.40808055      7.83762801    -13.85888003
  O     15.06704854      4.76252452    -11.82686852
  H     16.75701849      5.18514169    -15.12456502
  H     15.88761453      8.65153005    -15.08803931
  O     18.55284582      5.38351159    -10.61172678
  H     17.67373355      4.60373661    -14.02004618
  H     16.10462642      9.16194570     -9.38175290
  O     15.15767491      8.11775488    -14.75261520
  H     15.01364178      6.39224477    -15.42823222
  H     17.62036718      9.42800975     -9.48372937
  O     16.95175539      8.98856395     -8.94642431
  H     14.30516532      5.08978470    -15.02980180
  H     17.40256731     10.09944032    -14.50317357
  O     17.40399530      9.65211380    -15.36457315
  H     17.96349441      4.19926817    -11.72284544
  H     18.04114196      8.92960939    -15.31427938
          69
 Energy    -249.14653571380231     
  O     15.40545784     12.84196693    -11.49225739
  H     15.65507533     12.49093808    -12.35466458
  H     18.54612942      9.48380504    -12.56874465
  O     19.06179229      6.21054000     -5.54042380
  H     14.85022648     12.15547636    -11.09718395
  H     21.67142181      7.69381248    -10.16366382
  O     16.59154639      7.05599839     -4.79817458
  H     18.14813013      6.44467557     -5.29508299
  H     20.34834492      7.88633250     -9.39364161
  O     13.43196824     10.49475904     -7.66340824
  H     19.21459561      5.32632235     -5.21873529
  H     16.86254152     14.64226305     -9.35081415
  O     19.03732201     11.96487751     -8.73695558
  H     16.73773966      7.75670555     -4.15066607
  H     16.40776429     13.40751389    -10.15608455
  O     19.02729884      7.76493770    -12.45425053
  H     15.99434403      7.42487191     -5.46217582
  H     19.72677376      7.83977396     -4.68646575
  O     16.80416454      7.64187779     -8.93402252
  H     12.59684833     10.77695386     -7.30043549
  H     19.81347370      9.30703329     -5.14329294
  O     16.69954889     10.49398788     -5.64889600
  H     14.06406458     11.22383612     -7.51941037
  H     15.32634459      9.68840233    -13.11556084
  O     14.37135758     10.52792151    -10.31234518
  H     19.62606147     11.75192741     -9.47810914
  H     14.61077268      9.44937742    -11.78176223
  O     15.35153239     12.35959851     -7.27558110
  H     18.43783420     12.67486853     -8.99674497
  H     17.71977129     10.76785035     -9.34232930
  O     15.20679102      8.45074083     -6.82778939
  H     19.63634184      7.76745843    -11.70477052
  H     17.05171624      9.35651446     -9.47002988
  O     18.24751204     10.38861212    -12.39195751
  H     18.20730739      7.35560364    -12.15082299
  H     19.31601769     10.84558715     -7.38403207
  O     20.80480410      8.08984784    -10.22548287
  H     17.71358955      7.49850562     -8.63871523
  H     18.33562098     10.26022364     -6.34880731
  O     16.90209222     13.68900684     -9.36657354
  H     16.69486424      7.27215697     -9.82007938
  H     19.35512330      7.04050518     -7.15603173
  O     19.81204717      8.74285126     -4.35751887
  H     16.18574848      9.77912337     -6.05300828
  H     19.34997110      8.54589207     -7.53059246
  O     15.00452622      8.98874668    -12.53661462
  H     16.85030921     10.23963844     -4.73027711
  H     16.04686329      6.08489081    -11.94635679
  O     17.07843543     10.24789285     -9.84035066
  H     15.32118454     10.48499967    -10.11262797
  H     15.92769874      7.62522056    -11.96460793
  O     19.21224065     10.13232037     -6.73936195
  H     13.91051211     10.47083983     -9.46898537
  H     20.71886207     10.01965123    -10.58817970
  O     19.38669175      7.65070592     -7.90362291
  H     15.94048266     11.88737126     -6.67117614
  H     19.84511823     10.88890920    -11.49827258
  O     16.43829772      6.88126592    -11.59641284
  H     15.90128164     12.80170155     -7.93096521
  H     17.46555184      9.52205915     -2.27318663
  O     20.51059027     10.93748381    -10.79884280
  H     15.67822308      8.12402002     -7.60828293
  H     18.31860959      9.13358351     -3.50565315
  O     17.40971687      9.30429243     -3.19930109
  H     14.49387163      9.02491055     -7.13329151
  H     16.98915540     11.03934235    -13.40356166
  O     16.16046403     11.33127132    -13.82429926
  H     17.79193675     10.36096500    -11.53748540
  H     16.37250137     11.54280720    -14.72947296
          69
 Energy    -249.14619885129474     
  O     18.81225445      8.37188824    -11.41096175
  H     18.95229841      7.46229288    -11.10957261
  H     16.90625174      3.79693145    -11.58977015
  O     12.10398712      7.60536633    -11.64490415
  H     18.62762362      8.34541509    -12.35943671
  H     15.06786411      7.17421397    -11.64164262
  O     12.15714944      9.58967163    -13.69863295
  H     12.04722865      8.22916577    -12.38028103
  H     13.61728191      6.66366832    -11.81254013
  O     17.99693162      8.24001301    -14.04145000
  H     12.14181084      8.14877331    -10.84808224
  H     20.87812150      3.75918482    -12.54232693
  O     18.99088477      5.83757293    -10.37093659
  H     11.49504959      9.75651766    -14.36417272
  H     19.87420103      4.78671352    -13.12226559
  O     18.76721097      7.31865495     -8.00260301
  H     12.99413164      9.43665318    -14.17153578
  H     17.58790547     10.68478637     -8.97336303
  O     16.31307307      5.04822272    -10.23816195
  H     17.71395075      9.14904853    -14.19947805
  H     16.41667891     11.23344547     -9.82007452
  O     14.52505832      9.16124253    -14.94446282
  H     17.19870948      7.69470537    -14.11220244
  H     18.52341543      5.22783768    -14.78046374
  O     16.80165182     10.80232770    -14.22790241
  H     19.47557594      5.25442898    -10.96777617
  H     19.00499259      6.64719094    -14.41370038
  O     15.77048566     11.15531521    -11.71131568
  H     18.06811178      5.54331935    -10.36734531
  H     16.99647566      8.42010683    -11.07450746
  O     13.03997732     11.22858096    -11.54368789
  H     19.02500340      6.75912046     -8.74920929
  H     15.73381296      8.59057887    -10.15327555
  O     17.31355651      3.38093385    -12.35910363
  H     18.98530086      8.22307410     -8.25484676
  H     19.19288398      9.43499349    -10.05600880
  O     14.54337473      6.39290493    -11.88381765
  H     16.16930099      5.40974363     -9.35629370
  H     20.12713896     10.34929253     -9.22833695
  O     20.06775009      4.22284015    -12.35132609
  H     15.63158831      5.43540619    -10.80861626
  H     15.58275529      9.60272485     -8.45248916
  O     16.65874625     10.94358148     -8.93178305
  H     15.26229908      9.76031387    -14.78398596
  H     15.39278346      8.06704910     -8.09847282
  O     19.28966541      5.72691641    -14.46837937
  H     14.88148686      8.26642427    -14.86349698
  H     15.23660448      6.50658549    -13.52720941
  O     16.03405843      8.48875435    -11.06671303
  H     17.02420852     11.62474990    -14.65679250
  H     16.02832676      5.82638143    -14.67351648
  O     19.29143036      9.88987847     -9.20150116
  H     16.46816832     11.02989196    -13.34321868
  H     16.12503813      5.99307028     -6.85577279
  O     14.97867324      8.84341074     -8.49371065
  H     15.84912898     10.20211996    -11.55408196
  H     17.15035658      6.76699888     -7.71857315
  O     15.70506313      6.67808365    -14.35758718
  H     14.82012065     11.34306606    -11.67171788
  H     13.32724816      9.17656228     -9.04266516
  O     16.22950566      6.44995581     -7.68681479
  H     12.68925171     10.75515945    -12.30926530
  H     11.87491774      9.55134209     -8.67810000
  O     12.45427003      9.38110180     -9.41683011
  H     12.79793913     10.69297842    -10.77831332
  H     16.67110665      3.47708856    -15.47890681
  O     16.90257935      4.21244190    -14.91826000
  H     18.26530592      3.51614109    -12.26943210
  H     16.96730188      3.86610293    -14.01011637
          69
 Energy    -249.14590976199671     
  O     10.69619638     10.46246395    -12.47036631
  H     11.39717260     11.08420344    -12.68943103
  H     16.53187245      5.59092200    -16.19834514
  O     14.31401637      7.26303805    -15.11810162
  H     11.13830834      9.82264040    -11.89152692
  H     17.04174879      5.09160236    -13.98539929
  O     17.84896157     10.11025343    -10.50740028
  H     15.00526016      7.56937484    -14.51018634
  H     18.12093836      5.92821866    -14.69493693
  O     19.16882528      9.47859251    -16.29320678
  H     14.75190167      6.73629643    -15.79601563
  H     17.96972827     10.74065115    -15.50442412
  O     13.00893711      9.62018042    -15.54559181
  H     17.30388126     10.41829844    -11.25189995
  H     16.50281495     11.10277966    -15.79956126
  O     13.85346309      7.25664872     -9.41434928
  H     18.16460042     10.89037239    -10.05845696
  H     16.23622445      8.99303294    -13.09084603
  O     12.15962043      6.80135129    -13.43950236
  H     19.87366790      9.66604350    -16.90698101
  H     17.15394465      7.93849862    -13.76883433
  O     16.32119322     10.78993620    -12.64334050
  H     18.43852622      9.08968436    -16.80945647
  H     18.52766871      5.00152653    -10.11719705
  O     16.99241550      8.49404231    -17.56193824
  H     13.47686254      8.77480455    -15.44807757
  H     17.51276179      5.62411676    -11.10444923
  O     13.62519098      5.26677097    -11.48434198
  H     12.07802052      9.42658092    -15.38794615
  H     10.41647838      9.41271099    -13.87689089
  O     18.85476627      7.56115371    -14.27447218
  H     13.60131623      7.12858285     -8.50373204
  H      9.55323315      8.76137509    -14.98162714
  O     15.95327827      5.90506829    -16.91775137
  H     14.79837307      7.49198678     -9.41106662
  H     19.02383679      8.80356899    -11.27482557
  O     17.50014164      5.19697159    -14.82863002
  H     12.91920063      6.83786926    -14.04029801
  H     19.17171261      7.27317971    -11.21160071
  O     17.22102856     11.25092478    -15.17282965
  H     11.45965546      7.30964235    -13.86497717
  H     15.33310334      5.30029461    -12.03587623
  O     16.26616213      8.08518336    -13.41126148
  H     16.69949019     11.03829858    -13.50098830
  H     16.20462176      6.45701317    -12.59080006
  O     18.18649954      5.83345950    -10.43412782
  H     15.36563466     10.92975779    -12.69464776
  H     16.90493536      8.67698649     -9.72561675
  O     10.44049385      8.80282255    -14.63460048
  H     16.27451364      9.12689909    -17.43762429
  H     17.08348421      7.14910803     -9.64454676
  O     19.49578303      8.05986543    -11.66870385
  H     16.63039797      7.61607985    -17.39360490
  H     14.31027131     10.32339249    -16.55008650
  O     16.23206170      5.53082332    -12.30851271
  H     12.99848528      5.63242417    -12.11999517
  H     14.81995119     11.22041464    -17.69689694
  O     16.48197402      7.86781663     -9.41436636
  H     13.63962414      5.87614858    -10.73490366
  H     13.00208285      8.29555585    -10.66083869
  O     15.10618163     10.59637566    -17.03351337
  H     19.11185184      8.24222783    -14.90643702
  H     12.46810051      8.00528197    -12.08645841
  O     12.57657324      8.70215518    -11.42443997
  H     19.22103788      7.77796263    -13.40323519
  H     13.43627440     10.47099691    -13.89266913
  O     13.59664351     10.79580380    -12.99777641
  H     15.85538090      5.18032340    -17.52890719
  H     13.32146789     10.08400965    -12.40041953
          69
 Ord_Energy   -249.145660    
 O   -1.49972224      0.455890119      0.660594642    
 H   -1.71350539      0.419531584     -0.279346824    
 H   -1.90121698       1.26266086       1.00669944    
 O   -10.0400715      -3.02942944       3.14899397    
 H   -10.0216866      -3.77086282       2.53201079    
 H   -9.51439953      -3.31323528       3.90857100    
 O   -4.98118496     -0.428932458      0.758258462    
 H   -5.38093996      -1.02795136      0.116959482    
 H   -4.21800327     -0.875167549       1.15005362    
 O   -9.44266224      -5.22330570       1.34917951    
 H   -9.93738747      -5.99250555       1.08121884    
 H   -8.76367188      -5.52844048       1.97804594    
 O   -3.37064457      -2.45762753      -1.64204705    
 H   -4.32734060      -2.31739807      -1.69282997    
 H   -2.96341491      -1.60245764      -1.81864357    
 O   -7.69436407      -3.28989649      0.316172838    
 H   -7.90663433      -2.53885603      0.890273750    
 H   -8.34237194      -3.97819161      0.508567572    
 O   -2.41124630      0.234002694      -2.05151248    
 H   -2.01318979      0.603508592      -2.83602118    
 H   -3.25698233      0.694445312      -1.92240548    
 O   -8.08961105      -3.82177424       5.09866095    
 H   -8.02021503      -3.76051474       6.04759073    
 H   -7.40776539      -3.23317790       4.72925997    
 O   -7.38135672      0.478854388      -2.13548136    
 H   -7.73454189      0.657616615      -1.24279118    
 H   -8.07380486      0.687869072      -2.75535107    
 O   -4.12361336     -0.652173936       4.33220911    
 H   -4.49066544      0.170941114       3.98389745    
 H   -3.52918267     -0.986128986       3.64432573    
 O   -6.22744656      -2.31170607       3.79967999    
 H   -5.50164270      -1.74510109       4.09491205    
 H   -5.86747074      -2.94017577       3.15872979    
 O   -7.45830011      -5.77969027       3.12045074    
 H   -7.66847992      -5.24813795       3.89925766    
 H   -6.66152763      -5.38712931       2.73933816    
 O   -8.20617390      0.950113237      0.368058413    
 H   -7.89708328       1.73666525      0.831480920    
 H   -8.24609089      0.234017655       1.01698720    
 O   -5.49663115      -4.16825962       1.84681749    
 H   -4.64250135      -4.15446377       1.40014720    
 H   -6.17314196      -3.90497971       1.20726025    
 O   -8.22204781      -1.22975981       2.12745929    
 H   -7.48146820      -1.42896748       2.71556854    
 H   -8.98569012      -1.71164274       2.47989702    
 O   -2.86195207       2.65873313       1.92567706    
 H   -2.39393878       3.04827261       2.66113138    
 H   -3.64633012       2.22242355       2.29800320    
 O   -4.82773781       3.71909547      0.136652425    
 H   -4.05764484       3.54619193      0.692336082    
 H   -4.82627773       3.01008821     -0.520924985    
 O   -7.05346918       3.23670435       1.64594376    
 H   -6.30810022       3.49693513       1.07593381    
 H   -7.49577379       4.03954887       1.90817964    
 O   -5.20469093       1.43389881       2.76766896    
 H   -5.91595697       2.05533791       2.57492852    
 H   -5.25050879      0.748004973       2.08234739    
 O   -2.75706553      -1.53576148       2.04065228    
 H   -2.67417979      -2.39724946       1.61689615    
 H   -2.17766762     -0.908648491       1.57954431    
 O   -4.82880306       1.34963882      -1.36864603    
 H   -4.82195520      0.817432940     -0.557231307    
 H   -5.67529392       1.16577148      -1.79469168    
 O   -2.97359204      -3.94258142      0.572367489    
 H   -3.07458568      -3.45069480     -0.262809873    
 H   -2.35055184      -4.64491034      0.406423271    
 O   -6.08473635      -1.91180348      -1.39423835    
 H   -6.57737494      -1.16908622      -1.76473975    
 H   -6.71720600      -2.47961259     -0.931133211    
          69
 Energy    -249.14539433922292     
  O     13.08322430     12.41803403    -14.37937691
  H     13.71735908     13.00600052    -14.80426914
  H     15.62924953      6.16969275    -15.14842863
  O     18.21692993      7.08217428    -13.66229736
  H     12.97169346     11.68411286    -14.99703223
  H     17.12676993     10.62491133    -14.39845462
  O     18.79159354     11.36705011    -11.10702629
  H     18.26620934      7.37909205    -14.57741879
  H     18.45460002     11.34230906    -14.71871961
  O     17.03784122     14.10906503    -13.95660793
  H     17.58946399      6.34804334    -13.65128804
  H     16.68209983      9.04444905    -19.64953389
  O     16.11040149      5.14475023    -13.66761262
  H     19.00914659     11.77196251    -11.95411624
  H     15.65148300      8.75849316    -18.53121847
  O     14.63436607     10.44096588     -9.85574314
  H     18.57544383     10.43995988    -11.28373588
  H     15.85921533     11.33277362    -12.65891511
  O     14.46513679      6.62171508    -12.11660736
  H     16.42597323     14.08542661    -14.70068524
  H     16.56126028      9.94296607    -12.49654497
  O     13.01596887     12.04750211    -11.69064886
  H     16.51478367     13.85017503    -13.18327598
  H     14.21671672     10.61795238    -16.43538235
  O     14.15347338      8.11578977    -17.91044444
  H     16.02954365      4.21207485    -13.49066953
  H     13.50534607      9.68737595    -15.41592510
  O     15.66076890      7.94310395     -9.91725412
  H     15.50415611      5.60407660    -13.05773093
  H     17.11453530      8.43517805    -11.00420792
  O     17.81316709      8.26802631    -16.30485345
  H     14.05331903     10.87668958    -10.48927945
  H     17.95214412      8.21236372    -12.31190004
  O     15.44475911      6.90621028    -15.74349586
  H     15.34594094     11.06333943     -9.65700708
  H     16.02124158     12.92174550    -11.00003069
  O     17.79771781     10.74244820    -15.08894121
  H     14.16430803      7.34496377    -12.68250741
  H     14.65340225     12.87933099    -11.74109120
  O     16.51306002      9.17305373    -18.72030510
  H     14.82545997      7.03230946    -11.32129442
  H     18.51576416     13.22972303    -13.77915115
  O     15.98991201     10.47267610    -13.07237011
  H     12.15843453     12.32454423    -11.37802444
  H     20.06246503     13.15865316    -13.82353358
  O     13.35408135     10.26050577    -16.18366590
  H     12.98880547     12.12096734    -12.66183604
  H     17.17873674     12.67797148     -8.72203997
  O     17.71239501      8.85940847    -11.63126112
  H     13.65343692      8.80624493    -17.45774992
  H     17.58673035     11.93831462    -10.02050950
  O     15.59511580     13.06158397    -11.85560547
  H     14.47866663      7.53107714    -17.21067236
  H     16.10030828     10.72450614    -17.71718391
  O     19.28113946     12.63661521    -13.66250802
  H     15.23338088      8.81772398     -9.87720737
  H     16.59506007     11.20202835    -16.33798965
  O     16.82544255     12.25044583     -9.49689020
  H     15.67826596      7.60489912     -9.02588240
  H     14.79378627     14.37762873    -16.68608951
  O     15.90162561     11.33892661    -17.00087296
  H     17.91252546      9.12082998    -15.85494914
  H     15.35469395     12.95840645    -16.45366736
  O     15.07193366     13.77135743    -16.00332161
  H     17.54372283      8.48376949    -17.20574728
  H     14.59974906      8.07538020    -14.61475438
  O     14.11183156      8.67754522    -14.03309423
  H     16.28908625      7.34804085    -15.91489495
  H     14.74246231      9.32247041    -13.67939141
          69
 Energy    -249.14529772968166     
  O     16.52172643     11.15175333    -16.16482162
  H     16.54725773     10.44842361    -16.82782985
  H     15.91334354      4.14653490    -16.52299610
  O     14.26278334      6.48813720    -16.03465932
  H     15.62981707     11.13637804    -15.79806736
  H     19.38010426      5.69688374    -14.29498414
  O     17.84532970      6.85551340    -11.66128718
  H     15.11415792      6.82103739    -15.70776905
  H     19.28553409      5.78095814    -15.83910356
  O     19.83670827      6.84657432    -17.24285646
  H     14.49081873      5.73724593    -16.59449390
  H     17.43096516      6.69992712    -15.17630548
  O     17.47574257      6.33993577    -18.46276634
  H     17.56921641      7.68582736    -12.07985091
  H     16.89353106      7.98177357    -14.48698794
  O     14.01321616      8.84565268    -10.01217352
  H     18.74877477      6.70340384    -11.96034985
  H     13.99197235     10.32646949    -14.20410287
  O     13.77144724      6.65361546    -13.34629845
  H     19.01223257      6.67511504    -17.73255630
  H     13.22512596     11.47404878    -14.89431361
  O     17.06078648      9.07617230    -13.01855832
  H     20.54828420      6.74145388    -17.86890005
  H     14.84837349      4.03636164     -9.15062768
  O     16.57617531      3.85318619    -14.94044083
  H     17.03370223      7.19884821    -18.40362904
  H     15.28822572      5.45520104     -9.59121243
  O     12.77214596      6.53394386    -10.72077396
  H     16.83946963      5.68077924    -18.16257718
  H     13.69013527      8.06679071    -16.85104692
  O     20.20241298      8.55198604    -14.91657876
  H     13.57332473      9.29251533     -9.29356365
  H     13.63171359      9.57379224    -16.51800241
  O     15.57661977      4.41348211    -17.39794997
  H     13.49424506      8.04248437    -10.20303863
  H     20.32485223      7.39538921    -13.61924370
  O     18.85447788      5.41730900    -15.05401903
  H     14.50721875      6.09781142    -13.05022344
  H     21.22907701      6.53193641    -12.70545754
  O     16.77203984      7.40020478    -15.24666088
  H     13.71561458      6.53436796    -14.30316387
  H     15.47787201      4.72938405    -11.60572854
  O     13.90501650     10.81888189    -15.03564397
  H     16.13004492      9.31932119    -12.92967112
  H     16.58883535      5.61500713    -12.22084037
  O     14.76664134      4.67451250     -9.85377860
  H     17.55186951      9.80480865    -13.41766875
  H     16.83908389      6.97818169    -10.09502904
  O     13.66576597      8.94801953    -17.25074798
  H     16.22542146      4.13616451    -14.08738413
  H     15.56746338      7.70698229     -9.58718840
  O     20.32541639      6.65751410    -12.98186864
  H     17.45947808      4.24600772    -14.99255263
  H     14.10049273      8.39184545    -13.02945934
  O     15.84893041      5.03278958    -12.44375665
  H     12.90680121      6.52719696    -11.67874801
  H     14.19661711      9.32661717    -11.80166598
  O     16.15785834      6.96597705     -9.40834599
  H     13.29384132      5.79694540    -10.37887171
  H     19.00268906     11.73429578    -14.32619314
  O     14.30619936      9.30086841    -12.76051362
  H     20.02756901      8.14050662    -15.77152866
  H     17.87545596     11.04348118    -15.13254298
  O     18.58924803     10.89048986    -14.48651753
  H     19.67324013      9.35643070    -14.86772490
  H     16.60458355      8.33506412    -16.83580240
  O     16.39366045      8.78682432    -17.66737304
  H     15.31962390      3.61331852    -17.84822969
  H     15.42721861      8.86079940    -17.69773910
          69
 Ord_Energy   -249.145294    
 O   -12.0483112      0.286373526       2.35978103    
 H   -12.9374676      0.334352165       2.69987392    
 H   -11.6313581       1.15149593       2.53213930    
 O   -5.16522646      -2.46137595      0.386317164    
 H   -4.64611101      -1.65151203      0.332215071    
 H   -5.51411152      -2.51942039       1.29369593    
 O   -3.98051548      0.117702693      0.472929448    
 H   -3.06839824      0.365259379      0.605308354    
 H   -4.46164322      0.383193940       1.27639663    
 O   -5.88044310     -0.760761917       4.91725492    
 H   -5.44408989     -0.950253546       5.74275970    
 H   -6.73536921     -0.347208589       5.13755417    
 O   -10.2046528       1.66434300      -1.83916724    
 H   -10.6314135      0.947428107      -1.33507812    
 H   -10.8435822       1.96851993      -2.47790432    
 O   -8.63938618       3.11557221       4.63011980    
 H   -8.63798809       3.83160329       5.26026249    
 H   -7.87399483       3.25934410       4.04563570    
 O   -6.34223747      -2.63540792       2.81047392    
 H   -6.24473047      -2.06677914       3.58221078    
 H   -7.28117561      -2.83184910       2.70989633    
 O   -7.88100147      -5.77733755       1.73753595    
 H   -7.25873423      -5.53354740       1.03286624    
 H   -7.39658022      -6.35984182       2.31813383    
 O   -8.27124310      0.383972764       5.32913351    
 H   -8.86337852      -9.32844132E-02   4.73017168    
 H   -8.41018009       1.32287145       5.15723276    
 O   -9.15417671       2.77137542      0.498456150    
 H   -9.49609566       2.49631119     -0.362016976    
 H   -8.37142372       3.31801176      0.354880422    
 O   -10.7256632       2.59079671       2.76648355    
 H   -10.2487135       2.77100205       1.94351852    
 H   -10.0970640       2.77439141       3.47440529    
 O   -9.87550640      -2.73241282     -0.362073243    
 H   -9.02311230      -2.28529716     -0.511575818    
 H   -9.91464996      -3.46485567     -0.972340167    
 O   -9.72373962     -0.907716691       3.35352135    
 H   -10.5982103     -0.622488916       3.06055284    
 H   -9.59337139      -1.82787132       3.08543539    
 O   -9.08023739      -3.36042547       2.27739906    
 H   -8.73893547      -4.26362371       2.20520973    
 H   -9.41754818      -3.14300394       1.39853573    
 O   -5.52655554      0.797096550       2.61926460    
 H   -5.51137209      0.291269869       3.44112277    
 H   -6.40156412      0.654088855       2.22341061    
 O   -6.72274303       4.13185692      0.248373672    
 H   -6.46582937       4.93911505     -0.187962085    
 H   -6.25354052       3.40573072     -0.203769103    
 O   -7.55791473      -1.35235620     -0.520255923    
 H   -6.72477388      -1.79163015     -0.311981887    
 H   -7.72101545     -0.712608516      0.190222785    
 O   -7.54060221      0.739248872      -2.38142896    
 H   -7.53181267      -7.45811686E-02  -1.85888863    
 H   -8.44090748       1.07735288      -2.31320405    
 O   -5.55515671       2.06907010     -0.997202754    
 H   -6.20752668       1.62413776      -1.55952585    
 H   -4.99951029       1.38329589     -0.615166545    
 O   -6.09951735      -4.99100590     -0.244654328    
 H   -5.68090391      -4.13414383      -6.63988665E-02
 H   -5.67322922      -5.33145714      -1.02721405    
 O   -6.49088430       3.41953254       2.99614763    
 H   -6.54244232       3.76417780       2.09669113    
 H   -6.02881861       2.57385063       2.92653370    
 O   -8.03242779      0.413415372       1.53883755    
 H   -8.43883896       1.22767425       1.21586871    
 H   -8.62782192       8.62582028E-03   2.18271136    
 O   -11.3126287     -0.284491122     -0.334100425    
 H   -11.6124620     -0.113092318      0.566655517    
 H   -10.9171638      -1.16466796     -0.334274799    
          69
 Energy    -249.14519837905189     
  O     -5.63378508     -0.78113277     -0.15237340
  H     -4.96887529     -0.78897910     -0.85875666
  H      0.09074813      1.21150749      3.21364372
  O     -6.37125969      3.12527906     -2.78124233
  H     -5.35101788     -1.44108108      0.49225575
  H     -2.01298936      3.77467673      2.25167389
  O     -4.38912685     -2.49949677      1.70495007
  H     -6.67823966      2.24028124     -2.51456629
  H     -1.17401591      3.06386255      3.33062680
  O      0.43588591      0.24434511     -0.60850457
  H     -7.15244418      3.64755891     -2.94393424
  H     -4.68397269      1.68511318      1.81371175
  O     -4.69934675      1.84298784     -4.75973688
  H     -4.05586871     -1.88548376      2.38338269
  H     -5.13626005      0.77231918      0.61124292
  O     -3.65385843     -0.80374795     -2.12797138
  H     -4.69097728     -3.27864462      2.16425231
  H      1.28452632      2.36589728      1.66245900
  O     -2.72883288      1.74430053     -2.83443230
  H      0.99687090      0.88227850     -0.13849434
  H      1.34077082      3.06859343      0.27962061
  O     -4.13790124      3.45163344     -1.08141213
  H     -0.47402577      0.49583859     -0.38955537
  H     -2.61693735      4.00905119     -0.15709778
  O      0.52270488      4.26524162     -1.01503475
  H     -5.03270470      0.93759504     -4.72076801
  H     -1.06401308      4.21798303     -0.09143048
  O      0.00773007      2.17887265     -2.65238153
  H     -5.30311744      2.36784801     -4.21880189
  H     -5.55402490     -1.65115174     -4.61449456
  O      0.30174209     -2.09863055      0.75458175
  H     -3.21156202      0.03965248     -2.29241740
  H     -4.82599079     -0.92504491     -3.46015086
  O      0.46493296      2.08784195      3.40595225
  H     -3.08246511     -1.36376155     -1.58206967
  H     -1.21734970      0.27972012      1.89233843
  O     -2.04923932      3.42818962      3.15433874
  H     -3.28447529      1.79819109     -3.62567157
  H     -0.33372014     -0.96452284      2.13532401
  O     -4.68912755      1.59399294      0.85345598
  H     -3.12418791      2.34128559     -2.18619685
  H     -1.47101350     -2.38322804      0.06614755
  O      1.63775234      2.29110456      0.76835530
  H     -4.40199362      2.84649262     -0.36987604
  H     -2.97639919     -2.50356914      0.40805419
  O     -1.84726106      3.99657296      0.42846835
  H     -4.89379317      3.50525392     -1.67871968
  H     -1.75217812      2.13548056      0.51874105
  O     -5.53181462     -0.83391333     -4.12389992
  H      0.98326678      4.96565175     -1.46854805
  H     -2.89548047      1.11820328      0.59072003
  O     -0.77020048     -0.23241467      2.58676701
  H      0.36191254      3.56227582     -1.67134073
  H     -3.47049151      2.49351657      3.48425495
  O     -2.35370009     -2.37900891     -0.31881075
  H      0.29443407      1.40355431     -2.15523325
  H     -4.80331070      2.38171440      4.26182406
  O     -1.93582863      1.18635119      0.52700960
  H     -0.93341456      2.03979193     -2.83099850
  H     -6.72315757      0.04511874     -2.91907169
  O     -4.26659623      1.94466750      3.60620725
  H      0.45857930     -1.32298832      0.18596238
  H     -6.80080100      0.10697900     -1.38765350
  O     -7.08795659      0.56214101     -2.18871779
  H      1.03279597     -2.69456698      0.61586511
  H     -3.72230193      0.14109331      3.63302334
  O     -3.37409768     -0.74807409      3.49550380
  H      1.00597404      1.99012881      4.18605199
  H     -2.42923536     -0.63942227      3.32450955
          69
 Energy    -249.14432323688720     
  O     12.14475960      9.61453349    -13.17929842
  H     12.14182118      8.84910459    -13.77522662
  H     15.76224824      7.04457091    -17.68061652
  O     14.73244580      6.55465574    -14.94136566
  H     12.39386550     10.37388010    -13.72114066
  H     18.34044933      7.65538037    -15.29962734
  O     16.10340453     11.57917832    -10.61948627
  H     15.21028177      6.33060144    -15.74784335
  H     17.63504572      7.17659392    -16.59212862
  O     17.36847030     10.22701722    -17.20141868
  H     15.10731336      7.38135267    -14.60037132
  H     12.96587517     12.44464693    -15.16546468
  O     12.12554205      7.42745698    -14.87827538
  H     15.43835454     10.93340617    -10.91356815
  H     14.17855449     11.50904646    -14.96504760
  O     16.56276359      7.25672859     -9.69452794
  H     15.65343766     12.20241029    -10.05513698
  H     15.34339037      9.05494154    -12.93828285
  O     14.44628832      5.48017692    -12.40771562
  H     17.74595255      9.40123127    -16.84796108
  H     15.82637915      9.62105612    -14.29607575
  O     14.36941093      9.66967726    -11.51637523
  H     18.02106756     10.59695053    -17.79012069
  H     11.39126761      8.65323795    -11.79015685
  O     15.16944946      8.59171656    -18.11193009
  H     13.03253903      7.11870989    -15.02288108
  H     10.33730086      8.31374040    -10.71463901
  O     17.24346162      5.47265432    -11.84597789
  H     11.73180145      6.77415808    -14.28429980
  H     19.06538599      9.60817573    -11.34424980
  O     15.92879828     11.27383407    -15.06978326
  H     16.84611767      6.60025960    -10.34226091
  H     20.45677624      9.85173887    -11.98049553
  O     16.15594189      6.22744751    -17.31891805
  H     15.59890157      7.22414434     -9.69713018
  H     12.44318751      5.40993039    -12.59308027
  O     18.24164930      7.84113264    -16.24097165
  H     15.36275208      5.31160752    -12.15647050
  H     11.31133791      6.34630648    -12.13010656
  O     13.20852639     11.55680260    -14.91375640
  H     14.49317547      5.77953433    -13.32777871
  H     18.35097763     11.05021797    -12.83752138
  O     15.75226839      8.81056921    -13.77744084
  H     14.27246834      8.85041445    -11.01143471
  H     17.15962426     11.77043211    -12.18188808
  O     11.15666698      8.01245583    -11.10006984
  H     13.58579974      9.74137529    -12.07785807
  H     17.31587049      8.00492118    -13.52110912
  O     19.54754027      9.65860942    -12.19142610
  H     15.82981761      9.26225754    -17.90672717
  H     18.75850840      8.21614539    -13.00870551
  O     11.54091090      5.68620385    -12.79503922
  H     14.33461220      8.88506866    -17.71779888
  H     17.40126897     10.29022398    -10.03877400
  O     17.65116640     11.69093759    -13.00949368
  H     17.88010191      4.76313947    -11.80403662
  H     17.54393277      8.76567865     -9.80012762
  O     18.16996662      7.56000987    -13.40495981
  H     17.62370671      6.15417641    -12.42485111
  H     12.43739057      8.69602573    -16.27564179
  O     18.04548224      9.57654388     -9.97197682
  H     16.42568044     11.01381854    -15.85660540
  H     12.91236883     10.15903196    -16.24629809
  O     12.85234004      9.38265982    -16.81307631
  H     16.56526603     11.52313169    -14.38020561
  H     13.98695604      6.60562972    -11.06059520
  O     13.79201659      7.23694722    -10.35062238
  H     16.13283347      5.57638368    -18.01421242
  H     12.84960541      7.43362182    -10.40824996
          69
 Energy    -249.14421912497093     
  O     13.59673967     13.51341477    -15.14465431
  H     14.38506083     14.04369344    -15.31119566
  H     18.56388211     11.62421735    -14.23764444
  O     18.36589004      7.14293847    -13.21970629
  H     13.65040495     12.76344049    -15.74962756
  H     16.37318534      9.97690317    -12.38253609
  O     18.56662952     11.41603645    -10.76672362
  H     18.53802323      7.57103639    -14.06692848
  H     15.66187181     11.36595827    -12.49847335
  O     17.05684756     14.45124171    -13.13857910
  H     17.64524740      6.52009695    -13.38049198
  H     13.55673969     10.86122869    -17.54788416
  O     16.06950229      5.55046773    -13.76576362
  H     17.90955055     11.76950768    -10.15610541
  H     14.05930482     10.56089770    -16.11704921
  O     14.56699130     10.12126874     -9.24851354
  H     18.29711048     10.50236227    -10.93728616
  H     16.89391722      8.46490862    -10.74462198
  O     14.37612177      6.66548119    -11.99157468
  H     17.88464879     13.95584696    -13.15789922
  H     17.84010897      8.29016182    -11.97696840
  O     12.68063488     13.17563627    -12.62816175
  H     16.79727845     14.61417251    -14.05407193
  H     11.62366307      8.21860565    -13.41919657
  O     15.59172028      7.69774427     -9.66450554
  H     15.44475270      5.92863550    -13.12041269
  H     13.01830114      8.81532147    -13.72480399
  O     18.53200695      8.54961726    -15.71225870
  H     15.96096939      4.60429431    -13.73056784
  H     14.39334059     13.15062515    -11.94698661
  O     15.88998724      7.46446497    -15.83510630
  H     15.16098955     10.87484681     -9.16598421
  H     15.88755227     13.58008155    -12.19163683
  O     17.96964180     11.05089970    -14.73743345
  H     13.87440769     10.36766357     -9.88000513
  H     20.25404442     13.00991241    -12.87552453
  O     15.89666002     10.56628454    -12.98431233
  H     14.74413172      7.00004156    -11.16376643
  H     19.09382441     12.27224581    -12.16768860
  O     14.01468369     11.24634287    -16.80530732
  H     13.67549409      7.27349567    -12.25255726
  H     16.27979916     13.12318882     -8.66725232
  O     17.45260825      8.93936203    -11.37129503
  H     12.96548491     13.28655590    -13.55264944
  H     15.93457295     12.65928875    -10.10214716
  O     12.43404742      8.51148556    -13.00961759
  H     11.99702452     13.82264842    -12.47442280
  H     17.15343547     11.88062015    -16.17274692
  O     15.30605037     12.99696329    -11.67833620
  H     15.18425631      8.56211206     -9.46632332
  H     15.79888543     11.91205775    -16.92250175
  O     19.34884778     12.73364092    -12.98844307
  H     15.71706247      7.25347891     -8.83092381
  H     12.59482626     11.49281558    -11.69951861
  O     16.33483852     12.37760609     -9.25949088
  H     19.20334298      8.60049576    -16.38786551
  H     12.52778378      9.95195955    -11.77506698
  O     16.64997636     12.36067929    -16.84425604
  H     18.38860426      9.45596301    -15.39264787
  H     16.23232918     15.48504716    -16.40614590
  O     12.65698619     10.69101745    -11.16859075
  H     16.79094590      7.80464452    -15.90063452
  H     16.34795589     13.95276945    -16.21990235
  O     16.09009142     14.78185694    -15.77832981
  H     15.92712371      6.73379904    -15.20337855
  H     14.80249441      8.68018530    -15.21787754
  O     14.27449254      9.39471064    -14.82851305
  H     17.20954185     10.88868647    -14.15893886
  H     14.81575912      9.82504193    -14.14828055
          69
 Energy    -249.14357747088957     
  O     -2.98872933     -2.45676836     -1.17133437
  H     -2.07017536     -2.33749898     -0.89245978
  H     -4.30926916     -2.20212718      4.68694226
  O     -2.61114462     -0.55427996      1.93435988
  H     -3.44865535     -1.62443066     -0.99741372
  H     -1.70032153      0.74827626      5.26513885
  O     -5.84968929     -1.30707705      4.05270911
  H     -2.56526970     -1.51559613      2.01297494
  H     -2.87878323      1.51917547      4.65377828
  O      1.83203563     -2.97452633      5.29723580
  H     -1.72586474     -0.21983796      1.75196650
  H     -0.10607800     -2.74678250      0.39489501
  O     -4.49745557     -4.09636955      0.35557603
  H     -5.91436015     -1.51419676      3.10267073
  H     -0.07264479     -1.23475690      0.15422100
  O     -0.00104134     -3.73980076      1.99368992
  H     -6.72889722     -1.39531284      4.41138393
  H     -0.19441916      1.36197469      1.92011187
  O     -1.26833888     -1.02766887      5.35963463
  H      1.61149521     -2.31812378      4.62313229
  H     -0.32766431      0.84797965      0.46099803
  O     -5.93129819     -1.85310442      1.39277668
  H      1.56599422     -3.82710997      4.92904880
  H     -2.37541590      3.01919087      2.12770418
  O     -1.01045087      1.12002480     -1.14656213
  H     -4.74090889     -4.90418721     -0.08707578
  H     -3.77039589      2.40633138      2.35997724
  O     -2.66143221     -3.33509336      2.31098957
  H     -3.96052901     -3.57846475     -0.27319930
  H      0.73262782     -6.24368218      4.39920191
  O      0.60793701     -1.36346200      3.30029135
  H     -0.96588615     -3.67010224      2.08569715
  H     -0.23614380     -5.10092986      4.78450195
  O     -3.47862596     -2.66655714      4.84589679
  H      0.28375092     -4.38758190      2.64877289
  H     -3.63472935      0.44324426      2.98902979
  O     -1.99391329      1.63755604      5.02511560
  H     -0.64879207     -1.13264301      4.62349876
  H     -4.93279756      0.37050594      3.80195370
  O     -0.35303890     -2.06254314     -0.24302370
  H     -0.86829934     -1.46048877      6.12409349
  H     -3.70739647     -0.26725239      0.54049437
  O     -0.08820241      0.57855794      1.36153663
  H     -5.59816326     -2.69472396      1.05934340
  H     -4.19693345      0.72329806     -0.53792108
  O     -3.26390650      2.96648042      1.75683543
  H     -5.56258084     -1.18351652      0.80148446
  H     -0.13637245      3.51364494      3.27386325
  O      0.55094504     -5.31906857      4.25376415
  H     -1.85090053      1.60007378     -1.13929236
  H     -1.08333419      2.39645839      3.77909930
  O     -4.25195832      0.98435385      3.50903400
  H     -1.12256078      0.39108290     -1.75582133
  H     -1.07839891     -3.94948106      6.47258245
  O     -4.32094106     -0.17173812     -0.20547057
  H     -3.34169667     -3.68991801      1.72591612
  H     -2.30570716     -4.03434577      5.54836122
  O     -0.65816539      2.76983798      2.98502881
  H     -3.02921661     -3.22252419      3.19829297
  H      0.76623593     -2.72649641      6.66773300
  O     -1.52632497     -4.52368516      5.83793125
  H      0.55489513     -0.65060168      2.65409969
  H      0.41274465     -2.49378608      8.15848103
  O      0.02899611     -2.60496909      7.29339769
  H      0.42762238     -2.18633938      2.82162754
  H     -3.88720896      3.18007125     -1.33300823
  O     -3.48733368      2.44464450     -0.87743223
  H     -2.79773270     -2.00005568      5.02406127
  H     -3.43107149      2.69150746      0.06421210
          69
 Energy    -249.14286074266755     
  O     16.35233371     10.78299015    -10.42280331
  H     17.01334963     10.25484652    -10.89579150
  H     13.64554101      9.69750473     -6.61856911
  O     15.05809995      4.95817019     -7.09568565
  H     15.51818206     10.59951189    -10.87820765
  H     16.78444894      5.77285627    -13.58408105
  O     12.71980902      6.59380379     -7.46242766
  H     15.47464826      5.63629030     -6.53357644
  H     17.61865461      4.51143579    -13.86904093
  O     14.22607634      9.81406863    -11.88484646
  H     15.19098225      4.12153063     -6.65888193
  H     15.48810374      5.59082032     -8.80299901
  O     18.06361565      9.18267323    -11.92465085
  H     13.08375892      7.39029250     -7.05080191
  H     15.73193183      7.06197884     -9.20993934
  O     20.46654473     10.03636992    -10.76793167
  H     13.39456120      5.91510840     -7.35035777
  H     18.22225272     11.89767206     -5.90340652
  O     18.01773428      6.59009497    -10.97630052
  H     14.10613472      8.87064560    -11.69492359
  H     17.17688586     11.59645706     -7.00356455
  O     11.58371254      7.38154405     -9.77519935
  H     14.74051346      9.85033241    -12.70035633
  H     16.90907730      9.40710685    -13.29530571
  O     15.70722433     11.99905408     -7.87881962
  H     18.95024072      9.48456910    -11.69139536
  H     16.52437720      9.97867319    -14.67905008
  O     12.37650900     10.12394949     -9.75373561
  H     17.99421105      8.26677663    -11.61531091
  H     16.73732396      8.61069512     -8.01613827
  O     13.00259875     11.31172487     -7.40355818
  H     20.00380991     10.70645150    -10.23325419
  H     16.08199880      9.41820972     -9.17541272
  O     14.08904195      8.84709921     -6.53201502
  H     21.32877477     10.38815254    -10.97062160
  H     18.02474585     11.66384593     -9.74257391
  O     17.61744774      5.32097332    -13.36602780
  H     17.22803535      6.34091051    -10.47758097
  H     18.76973756     11.65118688     -8.40322304
  O     15.67054813      6.15800677     -9.56054359
  H     18.00219459      6.07656384    -11.79703197
  H     16.89425997      7.45786412     -5.94422349
  O     18.05834041     11.35205840     -6.66831356
  H     10.69584725      7.03850039     -9.82760919
  H     15.38942438      7.68300112     -5.68877157
  O     16.17332208      9.51934762    -13.92030432
  H     11.96333430      7.05572350     -8.93875039
  H     14.47588136      6.67539395    -10.81158877
  O     15.95244039      8.67331546     -8.58097684
  H     14.78300904     11.82483269     -7.66103161
  H     12.99772864      7.10799256    -10.95775379
  O     18.90403411     11.73598113     -9.35562281
  H     15.81688086     11.74073997     -8.80090290
  H     19.19329339      7.28135906     -9.67845620
  O     16.08862268      7.01796177     -5.64130724
  H     12.02939147      9.22318213     -9.73311256
  H     20.07748948      8.53496867     -9.58237810
  O     13.84601232      7.09160637    -11.41766952
  H     12.91737639     10.17863345    -10.55059608
  H     18.22175734      9.47212700     -6.74167375
  O     19.67769875      7.83678422     -9.05254153
  H     12.74578244     10.91174516     -8.25443995
  H     18.76797632      8.26608977     -7.58577072
  O     18.12930677      8.52502151     -6.90252467
  H     12.28329538     11.87836163     -7.13847833
  H     14.71737428      6.78430246    -13.06076387
  O     15.32327323      6.76353554    -13.81322946
  H     14.70444291      8.80309165     -7.28105321
  H     15.56635763      7.68133167    -13.98096293
          69
 Energy    -249.14250879468207     
  O     18.47045304     13.60041342    -20.60181777
  H     18.05200184     14.40228740    -20.23830533
  H     16.79167986     15.41735202    -18.64809485
  O     20.07400624     17.23412800    -13.98506576
  H     18.18646532     13.52784310    -21.50885691
  H     19.46158485     15.96753313    -17.18395268
  O     22.28335295     12.95485326    -17.56651803
  H     20.31383206     16.85919995    -13.12694544
  H     20.52730383     16.99503219    -17.53816858
  O     16.79736289     13.79078274    -13.07921002
  H     19.16529155     17.55476755    -13.91459635
  H     15.40929795     12.64810143    -13.44972405
  O     15.88083622     14.22811964    -17.38611388
  H     22.95535896     12.40565026    -17.95976600
  H     15.43489492     11.18304488    -13.89822913
  O     16.85674607      9.95872544    -14.37343592
  H     21.86462048     13.45632004    -18.28992607
  H     22.42776025     14.09468879    -16.06534357
  O     13.95261941     12.47660172    -16.33942555
  H     17.54323615     13.22443720    -13.31945356
  H     22.25826616     15.55991798    -15.62143031
  O     20.94352129     14.38099944    -19.41775559
  H     17.10317967     14.43706722    -12.42713121
  H     19.13648405     12.10151243    -14.79810080
  O     21.80101434     17.43219170    -16.10714593
  H     16.54391814     13.57430655    -17.65103226
  H     18.19699046     11.21949946    -13.95243078
  O     17.71128309     15.89621706    -11.56398456
  H     15.11110566     13.71467981    -17.10684475
  H     16.62544360     11.01759160    -17.45004923
  O     19.75194620     12.62232116    -16.40760968
  H     16.60184163     10.09617424    -15.30366013
  H     15.22712393     11.08063458    -16.81233239
  O     17.40456465     15.74483467    -19.31806595
  H     16.84239653      9.01749718    -14.22176174
  H     16.75805057     18.57259469    -13.76785692
  O     19.80436496     16.48920878    -17.92574172
  H     14.21515208     12.33238187    -15.41203737
  H     16.89813586     17.11231702    -14.25449987
  O     14.85799896     11.95407075    -13.83738575
  H     13.00477217     12.38087879    -16.37365055
  H     21.43447361     13.96222561    -13.83821465
  O     22.32696510     14.65893517    -15.28867615
  H     20.60925331     15.17019594    -18.97033231
  H     20.27667474     13.06831412    -13.27962309
  O     18.79026804     11.97952346    -13.90191113
  H     20.19955357     14.03522454    -19.92428114
  H     21.17348576     15.95354400    -10.84957928
  O     16.00796574     10.52067807    -16.89573165
  H     22.44774539     18.12554446    -16.00159314
  H     20.70743217     15.07793503    -12.04061747
  O     17.32801053     17.80892135    -13.72887467
  H     21.21672707     17.47684296    -15.33058381
  H     18.47408830     12.34788587    -17.62464608
  O     20.92850927     13.73662309    -13.04361114
  H     17.52502026     16.64420103    -12.14285059
  H     17.99932815     12.59291492    -19.09039655
  O     20.55072158     15.91890724    -11.56954995
  H     18.66887367     15.89458802    -11.43790799
  H     19.51268071     15.67513127    -14.99835852
  O     17.71611957     12.28009832    -18.22359274
  H     19.57180128     13.53693368    -16.13604243
  H     18.08942507     15.27662158    -15.46232585
  O     19.02822410     15.15345724    -15.64857699
  H     20.64752682     12.60299485    -16.76383494
  H     16.39197882     14.94392184    -14.36956314
  O     16.35436176     15.62576941    -15.05929636
  H     18.14050028     16.16887570    -18.85806314
  H     16.09273452     15.19993411    -15.88669210
          69
 Energy    -249.14246236909941     
  O     13.69676323      8.19841246    -10.90870698
  H     13.31171773      8.80058436    -11.56177888
  H     15.93825163      5.77369513    -16.22913061
  O     14.64489543      4.89832515    -13.17811188
  H     14.27699036      8.69495342    -10.31541536
  H     16.76776732     10.13802430    -15.16675982
  O     16.77312522     11.15344821    -11.03237957
  H     14.15544197      4.97880370    -12.34920499
  H     17.72018082     10.97169217    -14.28528743
  O     18.86930404     10.44268343    -12.85331638
  H     15.43166736      4.36645548    -12.99631371
  H     15.37029419      6.60025209    -13.03025802
  O     11.69147497     11.74676734    -14.69493029
  H     16.09862741     11.44919774    -11.65997978
  H     14.99785134      7.84851985    -12.20117599
  O     16.28902840      4.81933205    -10.10919148
  H     17.56073108     10.97297290    -11.55763244
  H     13.51113864      6.45085677    -10.69889052
  O     14.98469401     11.71365315    -13.07526154
  H     19.80281017     10.61106695    -12.75320965
  H     12.72288508      5.22226438    -10.19118527
  O     14.96845617     12.30616395    -16.48752288
  H     18.74212789      9.48746490    -12.71654131
  H     16.85419828      4.05172373    -11.54207683
  O     14.23434585      5.71064400    -15.81251229
  H     11.91402039     11.38430277    -15.56236233
  H     17.31707261      2.76550926    -12.26856858
  O     16.26950018      8.45967533    -15.35734045
  H     11.91688558     11.05722554    -14.05788421
  H     17.34765579      7.77233212    -12.44206086
  O     13.49133341      8.48051893    -15.55844283
  H     16.74133223      5.65009955     -9.89819731
  H     18.59999912      7.05605396    -12.94252356
  O     16.89065615      5.92464245    -16.36804419
  H     15.34795291      5.02093709    -10.14212804
  H     18.07180889      4.87231327    -13.47051613
  O     16.97773740     11.04603189    -14.89676193
  H     15.65817601     11.47829795    -13.73041824
  H     18.01138101      5.63582435    -14.80998357
  O     15.61609852      7.51949616    -12.86237425
  H     14.53694646     12.50149493    -13.40676485
  H     17.95417940      7.48138821    -10.54686309
  O     13.51451746      5.47937810    -10.65678776
  H     14.58250055     12.92645568    -15.85607737
  H     16.90156160      8.00714347     -9.54496334
  O     17.04355169      3.66637950    -12.41804476
  H     15.76606249     11.95797368    -16.06957225
  H     13.63241887     11.26832889    -16.96386646
  O     18.31517733      7.80754489    -12.40313567
  H     13.79117042      6.56615600    -15.75989400
  H     12.58878035     10.84977279    -18.02702800
  O     18.50471703      5.56616248    -13.98424300
  H     14.23678741      5.34711679    -14.91547677
  H     15.59049492      9.82805995     -8.44996574
  O     17.49862505      7.27142245     -9.72195161
  H     16.07495370      8.17062467    -14.45147544
  H     16.06528220     10.08884763     -9.89997100
  O     12.83599976     10.72819267    -17.11429673
  H     16.61389283      7.68649088    -15.81964403
  H     12.79831179     13.09809090    -14.50033880
  O     15.62240626      9.44173956     -9.32129698
  H     13.18511525      9.15953416    -16.17270506
  H     13.18455655     14.58055099    -14.26900400
  O     13.54967266     13.71277694    -14.41596027
  H     14.45896040      8.51971061    -15.57687887
  H     13.13401083      9.22015578    -13.87709904
  O     12.99928209      9.75280058    -13.08037442
  H     17.10268327      5.56711792    -17.22617969
  H     13.70704166     10.41446219    -13.05678802
          69
 Energy    -249.14193010351471     
  O     19.43625275      9.63257594    -12.11869478
  H     18.81723483      9.42187239    -11.40010698
  H     12.97198481      7.32885151    -11.56162426
  O     15.53749809      6.18335071    -15.79161950
  H     20.26942027      9.84935278    -11.70613718
  H     16.18090191      9.26309691    -13.44642521
  O     13.21989207      8.71219780    -12.61757768
  H     14.76298889      6.74182065    -15.61939168
  H     16.45182160      8.99276940    -11.92177687
  O     11.39603766      4.65452559    -12.18760441
  H     16.22905373      6.74863538    -16.15560385
  H     18.46775789      7.00845646    -13.74999722
  O     16.46987070     10.08985518    -15.05576431
  H     14.18981659      8.73565844    -12.58689617
  H     19.25981896      8.31481707    -13.50719807
  O     17.68480397      7.93076647    -16.45455369
  H     12.93007288      9.61979655    -12.76870464
  H     13.64992131     11.65973359    -12.75976858
  O     14.22866444      8.13365443     -8.93712205
  H     10.60344768      4.45675720    -11.69527609
  H     12.22724852     12.11071623    -13.16975409
  O     13.89838608      3.28742834    -12.51537493
  H     11.85890961      5.35703823    -11.70122878
  H     15.12364557     11.52838804    -10.94022979
  O     17.54007975     11.65245085    -13.03070810
  H     16.88227311      9.43437670    -15.62802503
  H     15.93908092     11.93567095    -12.19414996
  O     11.84836666      5.21095623    -14.96472317
  H     15.56603154     10.23245108    -15.37652802
  H     13.18896343      7.93879967    -14.28395604
  O     14.30945560      3.74881952    -15.32979641
  H     18.24049207      8.00629163    -17.22586555
  H     12.63105855      6.81946049    -15.19702551
  O     12.96987001      6.55966140    -10.96997035
  H     18.27688790      7.82479334    -15.68782022
  H     13.42821534     10.73923639    -14.97987210
  O     15.94192026      8.71059291    -12.68839776
  H     13.62619394      7.65588386     -9.51939466
  H     13.52286274      9.38619253    -15.72373939
  O     19.09615876      7.62069964    -14.15650651
  H     15.01300943      7.57495052     -8.86936739
  H     15.22100258     11.10209030     -8.49183084
  O     12.85699231     11.40191211    -13.26545002
  H     14.08993271      3.36790143    -13.45821701
  H     14.83823159      9.76248757     -9.16317417
  O     15.05381899     11.95199507    -11.80247596
  H     12.98873862      3.59106902    -12.40500469
  H     16.49980408      7.10100691    -13.05660199
  O     13.22727145      7.58217304    -15.18155744
  H     17.23471423     11.26461655    -13.86411416
  H     16.39769080      6.02975885    -14.15445776
  O     13.83712121     10.30007903    -15.73637565
  H     18.27472899     11.09784516    -12.74924217
  H     17.25259299      8.18708744     -9.93670369
  O     15.34141875     10.58703153     -9.28576817
  H     12.57775176      4.60695989    -15.15049689
  H     16.83693295      9.68402586     -9.89363247
  O     16.80458101      6.21068030    -13.29766655
  H     11.58628846      5.03122665    -14.05326068
  H     16.21120353      5.99067744     -9.88711333
  O     17.44678346      9.05804130    -10.30719568
  H     14.51333601      3.10675983    -16.00591516
  H     17.04734715      6.00414685     -8.58835907
  O     16.61346714      6.57297794     -9.21941794
  H     14.79533907      4.55696003    -15.56170001
  H     15.96969938      5.45447655    -11.93574603
  O     15.42220553      5.13686619    -11.20226084
  H     13.81963284      6.10896640    -11.07430047
  H     14.93698708      4.37166844    -11.54310686
          69
 Energy    -249.14173314429257     
  O     16.28059842     12.07711044    -10.77026162
  H     16.03942817     12.01689383    -11.70529006
  H     15.59786220      7.77046567     -8.11058682
  O     13.26040074     12.70212190    -12.81517805
  H     17.12748074     11.61958089    -10.70419846
  H     18.69300473      7.51681744    -13.16002269
  O     12.93738163      8.82391954     -9.59072243
  H     14.10277292     12.48984433    -13.23156787
  H     17.50259729      7.44668359    -14.14824182
  O     14.08541756      6.62021073     -8.25596392
  H     13.47498304     13.21889712    -12.02464221
  H     19.00402399      9.05390798     -9.79797398
  O     11.14163339     11.00375495     -9.66186282
  H     13.20235216      8.04523257     -9.08825361
  H     18.21270128      8.21282464     -8.78198367
  O     11.13661841     11.08284978    -12.53310413
  H     13.60793536      9.50013809     -9.41592339
  H     12.13139879     12.11795473     -8.74023438
  O     14.11731237     13.91892787    -10.46490127
  H     14.14171147      6.09205484     -9.07317051
  H     12.36037108     13.02731768     -7.50866130
  O     18.50707431     10.66483890    -13.91975678
  H     13.74966154      6.04139847     -7.57681284
  H     11.75704452      9.34797891    -12.43280501
  O     15.84305644     11.68900926    -13.52575162
  H     11.59309038     10.15749100     -9.54266010
  H     12.48696148      8.56708943    -11.30803119
  O     16.27398056      8.38497888    -11.02157451
  H     11.04742914     11.11313065    -10.61577412
  H     20.21131409      6.23489455    -11.51050689
  O     16.74725706      5.67609144    -11.72716879
  H     10.42746463     11.44697089    -13.05593494
  H     19.25640994      7.16308323    -10.72853624
  O     16.27963592      8.44109565     -8.24937920
  H     11.90514564     11.66997344    -12.65958193
  H     15.41094959      7.66214360    -13.88288564
  O     18.29953596      7.94231917    -13.93207045
  H     13.65119008     13.60175056     -9.68227862
  H     14.78287637      6.28056323    -13.91909413
  O     19.01655032      8.21490642     -9.31485898
  H     14.97124945     13.46729819    -10.46194898
  H     12.24888881      5.53206588    -13.47369932
  O     12.80252035     12.62840215     -8.25290304
  H     18.42615489      9.69843056    -14.00605431
  H     12.65155721      6.87682845    -12.83403960
  O     12.24049261      8.53273046    -12.24536759
  H     19.20114746     10.93452104    -14.51584336
  H     13.73552794      5.45197429    -11.38029143
  O     19.34988232      6.64297058    -11.54544517
  H     16.75529363     11.50773546    -13.77786944
  H     15.17865916      5.26934891    -10.89012149
  O     15.62430224      6.73200762    -14.05571027
  H     15.41355922     10.81937554    -13.48001657
  H     17.67629920      9.59465402    -11.15432391
  O     12.98361724      5.99735408    -13.08025469
  H     16.42478229      7.45860260    -11.24457981
  H     18.58318814     10.48588545    -12.02715649
  O     14.25869367      5.28098157    -10.58941207
  H     16.22216471      8.42631963    -10.05837037
  H     15.29960535      8.99413248    -12.33241223
  O     18.37934534     10.26203509    -11.11121555
  H     17.69857775      5.83124566    -11.67047998
  H     13.86576412      9.06367248    -12.91608321
  O     14.79398074      9.20998070    -13.13307066
  H     16.45540442      5.92306707    -12.61700561
  H     15.30893111     11.19309459     -9.52545196
  O     14.81254282     10.74879036     -8.82328698
  H     15.83139176      9.29989527     -8.23939368
  H     14.19072453     11.39868482     -8.47274085
          69
 Energy    -249.14168317819878     
  O     11.21019381      8.78842078    -13.44294039
  H     11.63026250      8.57113306    -14.28743704
  H     19.18664467     10.57710210    -13.64798562
  O     16.78851966      6.60116512    -14.13306657
  H     11.46231917      9.70226650    -13.26449073
  H     13.53045024     11.32542748    -16.15192376
  O     17.01671457      9.59739005    -11.08165578
  H     16.42386092      6.00131711    -13.47093280
  H     14.61458087     11.81349214    -15.18382582
  O     16.35034294     11.19168830    -14.83399527
  H     17.53668335      7.03869726    -13.70599010
  H     14.29413183      8.58958506    -14.79352885
  O     13.32217073      5.53430045    -16.16284427
  H     16.06755274      9.67026766    -11.26170883
  H     15.65234697      8.00046351    -14.28951035
  O     14.36281296      6.10123814     -9.89566789
  H     17.41561331     10.38785146    -11.46561018
  H     19.11518915      5.14870185    -10.16965596
  O     14.38679161      9.75982564    -11.87782255
  H     16.99035282     11.04422236    -15.54166301
  H     17.97940966      6.20344463    -10.15075540
  O     16.03399325      9.04712548    -17.73272271
  H     15.92034691     10.33566154    -14.67867169
  H     13.30769511      6.05885609    -12.93373483
  O     15.98581151      4.97320094    -11.94271703
  H     12.82567197      4.79077444    -16.49353562
  H     14.40067680      4.98102977    -13.03181863
  O     18.35194007     10.34697089    -16.61297749
  H     13.42122898      5.40124366    -15.20241777
  H     18.04092377     12.67811035    -12.52965550
  O     15.96332713      6.43981028    -16.82271060
  H     13.84751654      5.61967217     -9.25288125
  H     17.32414352     11.61921650    -13.40011217
  O     19.53194476      9.86693689    -14.20227961
  H     13.72808350      6.55810718    -10.47291971
  H     18.09157670      8.40248038    -12.01232769
  O     13.66263172     11.84143822    -15.34757089
  H     14.66011780      9.39326729    -12.73640116
  H     18.80802817      7.03241309    -11.94092175
  O     15.09683876      8.78999846    -14.29580184
  H     13.71143958     10.41850520    -12.08068265
  H     15.99509274      7.03012748     -9.45264518
  O     18.49259540      5.60707761    -10.72719427
  H     16.86077720      9.42176825    -17.41342427
  H     16.94727901      8.19629412     -9.82137569
  O     13.61984681      5.32602679    -13.47955375
  H     16.03640594      8.11282940    -17.47399784
  H     14.47568132      9.75340215    -17.69242386
  O     17.95358603     11.73845675    -12.66779243
  H     15.43557900      5.31081969    -11.22269389
  H     13.28667542     10.30613660    -18.51483392
  O     18.67965659      7.80758883    -12.50060287
  H     16.89018362      5.00350196    -11.60670612
  H     13.43720477      8.21298083    -11.64848905
  O     16.90586616      7.33964944     -9.37549477
  H     19.00290766     10.71076002    -17.20766306
  H     12.10199226      7.77281030    -12.23919919
  O     13.56681933     10.10229934    -17.62700145
  H     18.83061396     10.08905441    -15.80571656
  H     11.89249543     12.19115060    -12.74970908
  O     12.84554710      7.44984021    -11.71011522
  H     16.37825355      6.39716822    -15.95099829
  H     12.79391695     11.58219890    -13.84631096
  O     12.37973341     11.40541340    -12.98297338
  H     15.08658220      6.05504880    -16.70778664
  H     12.92333147      8.81985319    -16.47120760
  O     12.74842891      8.23373471    -15.72351897
  H     19.40076652      9.06095737    -13.68571013
  H     12.87947743      7.32081047    -16.01090659
          69
 Energy    -249.14133845533763     
  O     11.26195084     10.85707833    -11.33075042
  H     10.72130164     10.65080360    -12.10413541
  H     17.09627092      6.31733880    -15.88307347
  O     13.38840173      7.60946662    -15.23446343
  H     12.10782079     11.17179516    -11.67260864
  H     16.53411338     13.04203736    -14.02069469
  O     18.15089835      9.12056522    -17.17723538
  H     14.18433437      7.95731622    -14.79887417
  H     16.72638358     11.52489491    -14.22081110
  O     12.35165448     10.15074937    -14.82020686
  H     13.65358902      7.34413618    -16.12310749
  H     15.40703493      8.76177615    -12.98997499
  O     15.71970347      5.82393210    -10.35670012
  H     17.85074354      8.20062995    -17.05758749
  H     16.23681998      9.10191139    -14.26175534
  O     12.82153938      6.11976761    -12.96786182
  H     18.86382358      9.09908978    -17.80990291
  H     11.08022954      9.45048256    -10.31148568
  O     15.10788729      9.36683329    -11.33769764
  H     11.43826276     10.09744696    -14.51404657
  H     10.46574852      8.76809202     -9.06454043
  O     15.42782057      9.56649547    -18.02150205
  H     12.63066217      9.24574907    -15.01821777
  H     19.79853739      7.51377639    -13.16890903
  O     15.14903260      4.46998324    -12.60130723
  H     14.90314922      6.31295757    -10.19124558
  H     18.32686260      7.16253589    -13.47882352
  O     17.76944250     10.08011244    -14.59967035
  H     16.42279810      6.48781458    -10.39869948
  H     10.44622567      7.67427336    -11.48195677
  O     14.46805285      7.07351386    -17.75634363
  H     12.95585411      6.59194338    -13.80258132
  H     11.07233150      6.83919726    -12.62152459
  O     17.13056294      6.64299298    -16.79146405
  H     13.52673708      5.46430589    -12.90712076
  H     16.41247472      5.43780750    -13.59538732
  O     16.05914710     12.21637832    -14.08490333
  H     14.47882950      8.72378379    -10.97934331
  H     16.39824668      6.93358888    -13.96985672
  O     15.57195911      8.50089909    -13.90671397
  H     14.60020609     10.11719248    -11.67295429
  H     16.74263576      8.60171085    -10.82900389
  O     10.95214549      8.59382366     -9.86535341
  H     15.03740467     10.27241009    -17.48439568
  H     18.02528523      8.02431152    -11.45891068
  O     18.91953604      7.88371461    -13.20899034
  H     16.37047087      9.56171340    -17.82546076
  H     13.57930962     11.09125633    -15.88165830
  O     10.32176620      7.40414154    -12.40085683
  H     15.39265993      4.90012877    -11.75948271
  H     14.91883108     11.80722091    -15.61980893
  O     16.93226520      6.12488021    -14.02769051
  H     15.14291454      3.53063056    -12.43838189
  H     13.14786686      6.96964056    -11.37107976
  O     17.46772590      7.97947906    -10.67588508
  H     17.94323098      9.84823125    -15.52336399
  H     12.55942241      7.75247745    -10.16338798
  O     14.36408923     11.44699618    -16.31959579
  H     18.26229254      9.44954726    -14.05779406
  H     14.49630678     11.76665482    -13.07980986
  O     13.37301097      7.37951539    -10.52324664
  H     14.75839364      7.99281889    -17.91039672
  H     13.25970292     10.90831567    -13.42608833
  O     13.71825544     11.34733204    -12.69353145
  H     14.09407118      6.76075433    -18.57534720
  H      8.95321344      9.86478726    -13.88083467
  O      9.86236746      9.79882972    -13.60218837
  H     16.22257469      6.64217463    -17.11967771
  H      9.98314140      8.90256844    -13.23992791
          69
 Energy    -249.14107204512857     
  O     17.93797008     15.12957101    -16.11437642
  H     18.68446613     14.85731467    -16.66068222
  H     18.16843658     10.28710015     -8.66277568
  O     21.49139320      9.76696768    -15.47528475
  H     18.32158346     15.52215148    -15.31981596
  H     20.60104240     18.19245791    -11.41015374
  O     19.61665134     13.14223839    -10.19386007
  H     20.88963267      9.33607885    -14.83959753
  H     20.78688141     16.69588959    -11.06358632
  O     20.53612815      9.68276658    -11.17887934
  H     22.05759505      9.08365715    -15.82272951
  H     21.16860371     12.48237953    -10.90098507
  O     16.35582789     10.65762301    -11.24667078
  H     19.20761997     12.35087076     -9.82377806
  H     22.67048029     12.80821479    -11.05914623
  O     19.57626222     11.58909438    -16.53756873
  H     19.00103530     13.49284268    -10.85507792
  H     17.00893031     10.23275192    -14.74263639
  O     21.57413388     14.64397299    -15.00081880
  H     21.18308666     10.39753887    -11.14374031
  H     18.05178103     10.78551209    -13.74127187
  O     21.14792641     15.47111362     -9.87502674
  H     19.83534235      9.93488129    -10.56600939
  H     20.47958040     14.09857355    -18.37593109
  O     21.97591747     12.12266881    -13.98094548
  H     15.87727726     11.44547418    -11.51726627
  H     20.02864673     13.15866246    -17.23119338
  O     15.84814002     12.72690700    -13.34890629
  H     16.65090764     10.25116806    -12.07486776
  H     22.60521543     15.59555231    -13.75856616
  O     16.78938332     10.91214688    -16.41940407
  H     20.24308837     10.90953903    -16.38000033
  H     22.26851154     16.58554559    -12.62721177
  O     18.43456878     10.69160299     -9.48448801
  H     19.31192081     11.89217195    -15.65391610
  H     19.72001460     16.48745458    -13.13915599
  O     20.68242822     17.32609489    -11.79936482
  H     21.25119917     14.53894894    -15.90286045
  H     20.11987169     15.42068775    -14.18484009
  O     22.00659335     12.12966373    -11.23594571
  H     21.78171909     13.75582729    -14.67245365
  H     23.46307238     14.94618063    -11.65349528
  O     17.30228824     10.17196336    -13.82160140
  H     22.03178131     15.12511957    -10.04809792
  H     24.52400562     14.56049465    -10.59565143
  O     20.24820123     14.08037777    -17.45090979
  H     20.56583302     14.70016126     -9.83857080
  H     18.87005557      8.94663981    -13.73164727
  O     22.96269819     16.00289663    -12.95874052
  H     21.98079407     11.26326324    -14.41974914
  H     20.07703083      8.99200054    -12.76558019
  O     19.35959432     15.87520990    -13.79324555
  H     22.09961765     12.00738473    -13.02769857
  H     20.15073774     12.14436393    -13.77080861
  O     23.62657064     14.39172685    -10.86949492
  H     15.66701852     13.09583211    -14.22360654
  H     18.84113706     12.84544364    -13.29196651
  O     19.80514063      8.73202178    -13.66011505
  H     16.24939684     11.86768980    -13.52648999
  H     16.50794366     14.14907277    -16.07614118
  O     19.19090880     12.15600193    -13.86716665
  H     16.37600923     11.78401857    -16.38186183
  H     15.04106513     13.98773292    -16.53876122
  O     15.72924420     13.56618888    -16.03069966
  H     17.70385444     11.06610521    -16.68758866
  H     17.16408122     13.75094782    -12.57278804
  O     18.00508483     14.06114684    -12.21003683
  H     17.66013266     10.66632503    -10.07263454
  H     18.35031435     14.77762946    -12.76120273
          69
 Energy    -249.14078699618236     
  O     14.74003374     10.90994496    -14.98563367
  H     15.38781894     10.25548653    -15.27705787
  H     16.91666086      9.30255573    -11.46466400
  O     17.55464242     10.09642287    -12.93205027
  H     15.25342881     11.58745667    -14.53018522
  H     13.94022642      7.16490103    -11.74010222
  O     14.43377030     10.07262016     -9.39840501
  H     17.24465233      9.65777860    -13.73822892
  H     15.10713828      8.19802833    -11.76078187
  O     11.24174212      7.61580605    -13.78506567
  H     17.25441081     11.01215074    -12.98785442
  H     14.67735592      4.29514236    -13.07576800
  O     19.02288572      5.33354722    -14.20712075
  H     15.19140717      9.60947208     -9.79301758
  H     13.29487810      4.55904862    -13.72109339
  O     12.49510264      5.61544266    -15.13677095
  H     14.62570743     10.16228538     -8.46810101
  H     20.01657827      8.03992016    -12.65108210
  O     17.21065177      6.14255804    -10.93656282
  H     11.65651339      8.48513078    -13.74500999
  H     19.25876128      9.33018851    -13.05253277
  O     11.85039676      9.51409793    -10.55938744
  H     10.97077871      7.40439491    -12.88310868
  H     14.71026871      7.28234712    -13.89524020
  O     19.30827800      7.78199061    -15.71236245
  H     19.44348352      5.62846209    -13.39029876
  H     14.13827914      6.48630735    -15.09334447
  O     14.25236567     11.91479732    -11.56918119
  H     19.10345843      6.07286212    -14.82199402
  H     15.58751503     12.43581108    -12.55113407
  O     12.86744025      9.95902072    -13.20096610
  H     11.99523143      6.31886441    -14.68538164
  H     16.46883593     13.52423805    -13.21208411
  O     16.47590331      8.81693327    -10.75162323
  H     11.95445234      5.31505467    -15.86214977
  H     16.11993767      8.16563620    -15.23274080
  O     14.35851485      7.85889905    -12.26564300
  H     16.88666794      5.75635995    -11.76354900
  H     17.58604680      8.52554333    -15.60003159
  O     13.72542477      4.20713047    -12.93236393
  H     16.63527734      5.82517451    -10.22614875
  H     20.43397620      6.05151218    -11.01301259
  O     20.01146096      8.76923327    -13.28392571
  H     12.00990602      9.84002481    -11.45404080
  H     18.94230877      6.31769933    -11.31313176
  O     14.93084850      6.93287368    -14.77386722
  H     12.67799911      9.64775468    -10.08133728
  H     11.06303977      7.97943932    -10.75526341
  O     16.30285458     12.58592240    -13.19551356
  H     19.64818236      8.16843969    -14.88461770
  H      9.84033849      7.03982869    -10.60786769
  O     16.74261323      8.90259322    -15.32184178
  H     19.97248760      7.93233693    -16.37990716
  H     15.95565482      5.67718624    -13.93058453
  O     19.84367093      6.43568390    -11.65646200
  H     13.70470578     11.36545393    -12.14315838
  H     17.32083891      4.98240057    -13.72196013
  O     10.70256125      7.10999816    -11.00859777
  H     14.32694299     11.42843336    -10.73979986
  H     15.12824516      4.65631945     -8.53066708
  O     16.41934682      5.03759617    -13.37283367
  H     13.37878804      9.21780370    -12.83584975
  H     14.50460998      5.53222908     -9.62890355
  O     15.31136742      5.39551831     -9.10536108
  H     13.39285072     10.31002829    -13.93596824
  H     12.26618364      6.11343071    -10.81464017
  O     13.17654901      5.79647447    -10.80197412
  H     16.82724858      7.91617175    -10.74047626
  H     13.29159703      5.15095338    -11.51904186
          69
 Energy    -249.14065519756366     
  O     15.89177924      9.65603740    -16.15825095
  H     16.54009513      9.73505177    -15.44899892
  H     18.18797305      7.78811403    -17.74696216
  O     13.86615489      4.71057064    -13.96661169
  H     15.05961711      9.40759097    -15.74099538
  H     15.94817588      6.25886710    -15.76738785
  O     17.89113721      5.21283785    -12.04061985
  H     13.90575901      5.06027915    -14.86603962
  H     16.87333199      6.61861225    -14.57703111
  O     19.82738748      5.07579040    -18.38427130
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  H     12.62853803      9.17562216    -15.01617130
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  H     14.05800280      2.85606400    -11.02130399
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  H     20.45192459      5.31113825    -19.06499092
  H     13.85973435      7.10054087    -16.06046618
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  H     18.01446790      4.44157627    -18.58001322
  H     14.40025534      6.20968796    -17.23456635
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  H     21.15670433      5.31488229    -13.20427208
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  H     16.97329688      4.91190034    -10.50752633
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  H     14.76716677      5.94388010    -19.73053087
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  H     11.66330827      3.59144675    -11.79821332
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  H     12.90638221      4.14222474    -12.53071253
  H     13.91402919      6.37636479    -13.21231161
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  H     13.85734047      7.03279921    -11.82153153
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  H     18.58753348      9.21689421    -14.26372025
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  H     19.03408558      3.61003993    -15.73216468
  H     18.17612874     10.60536970    -13.71537704
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  H     18.11514565      6.82109586    -16.55128572
  H     16.18536209      7.78733872    -18.71780536
          69
 Energy    -249.14054410286332     
  O      1.27072980      1.03057279      3.97572516
  H      1.98680840      1.33654674      4.52567633
  H     -4.65094481      4.09470604      0.71365201
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  H      0.73134833      0.42972948      4.52363625
  H     -2.99173587      1.44439341      6.40056718
  O     -0.34834686     -0.56098676      5.42046326
  H     -1.43627343     -1.44105508     -2.66336116
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  H     -2.16797154      3.28626186      0.54312166
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  H     -4.27092769      1.52804554      0.41284353
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  H     -1.81775093      0.76655324      2.63835522
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  O     -1.21344868      3.22647436      0.66630970
  H     -4.23508921      1.83406399      3.75578234
  H      0.34040676      0.53734105      0.17719436
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  H     -3.95131640     -3.25308904      3.30721035
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  H     -4.04202137     -2.08049434      4.29976260
  H     -2.03149668     -3.20121718      4.62569752
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  H     -0.90814442     -4.02986789      5.29765836
  O      1.26315719     -0.34047255      1.49645213
  H     -1.03713309      2.74867520      2.35755849
  H     -1.07754710     -2.67000304      1.53049795
  O     -0.14790316      0.91768919     -0.56706552
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  H     -0.67788994     -2.69842173      3.05273556
  O     -1.06702127     -3.26677163      4.74932738
  H      0.57515587     -0.64925631     -3.07661239
  H     -3.58918852     -3.48639372      0.96631473
  O     -0.56646141     -2.22535425      2.21874656
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  H     -4.83128445     -4.37520420      1.17980136
  O     -4.38777988     -3.59542637      1.50674664
  H     -5.13676348     -0.43704661      3.41592206
  H     -5.44887001     -0.50555786      1.25502865
  O     -5.86992126     -1.10814448      1.88457412
  H     -4.09720224      3.17958704      1.82976609
  H     -5.48139069     -1.97249421      1.70738157
          69
 Energy    -249.14033322836622     
  O      2.06491076     -0.20631641      4.65475794
  H      2.80887388     -0.02255185      5.22379379
  H     -2.15160904     -0.80031124      5.96097308
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  H      1.34902307      0.38969384      4.93863084
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  O      0.59360926     -2.55708866      5.44417454
  H      0.78363324      0.13198528     -3.01572121
  H     -1.72890754      2.68980960      2.67763738
  O     -1.32169728      0.71504297     -0.80994867
  H     -0.28530126      1.03376320     -2.37943965
  H     -3.97491691      0.45876494      0.83370581
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  H     -2.97631910      1.12126458     -0.13743559
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  H      1.16213028     -1.86298913      5.08907060
  H     -1.51176886     -0.81123980      3.82644868
  O     -4.16935057      0.98988941      4.08935192
  H     -1.19848250     -0.24339617     -0.84139785
  H     -1.21607468      0.46129203      2.96688903
  O      0.04382936      1.47039364      5.37261381
  H     -0.63903807      1.06665304     -0.22210091
  H     -0.42007480     -2.21769803     -0.06147382
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  H      1.97528341     -2.18472368     -3.12720723
  H     -0.05836565     -2.00179563     -1.55819336
  O     -2.96834061     -3.41742415      3.66663950
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  H      1.54539950     -1.16993771      1.71680059
  O     -3.49104691      3.11880197      2.29887591
  H      2.95250268     -0.42271887      0.14519429
  H      2.22043778     -0.30446283      2.80306768
  O     -1.95801374     -1.59960438      5.45973797
  H      3.03990184      0.58734813     -1.01695265
  H     -3.20294762      0.99256609      5.56913140
  O     -0.88163928      2.29243239      2.91270295
  H     -4.28238962      0.24605860      3.48824009
  H     -3.12650264      1.29311114      7.08377360
  O     -3.78315167      1.28286995      0.37170478
  H     -4.02067266      1.76417615      3.53159291
  H      1.32141523      2.10960559      0.06907894
  O     -1.35605533     -0.49198767      2.92702335
  H     -0.21027479      1.91272466      4.54906103
  H      1.25038953      1.01999341      1.17137214
  O     -0.79635732     -2.04376258     -0.93807004
  H     -0.78405405      1.32728324      5.84396844
  H     -1.35798518     -4.10228654      3.44596017
  O      2.14551870     -0.42087237      1.84774982
  H      2.75107205      3.07820892     -1.91625661
  H     -0.39226379     -5.30950991      3.44944734
  O     -2.62076954      0.95600606      6.34919499
  H      1.69838992      1.95688210     -2.09905280
  H     -0.37920575     -1.64322156      2.05578461
  O      0.76439479      1.75698545      0.77346835
  H     -2.74822600     -2.84190898      4.41639271
  H      0.06386268     -3.12686783      2.11683533
  O     -0.42107523     -4.35960510      3.37420001
  H     -3.46520018     -2.86042406      3.06133364
  H     -2.55254682     -2.42583170     -0.63611534
  O      0.16470926     -2.31302458      1.60862376
  H     -3.95420847      3.93044881      2.11287760
  H     -3.97991747     -2.73200405     -1.11699749
  O     -3.47192722     -2.51012563     -0.34018733
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  H     -3.82457919     -1.64118828      1.17791480
  O     -3.88493561     -1.11042173      1.98771046
  H     -1.05419204     -1.89185546      5.65404352
  H     -2.97584817     -0.89202468      2.24756415
          69
 Energy    -249.14014901457398     
  O     16.65200910     10.52707480    -11.47806041
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  H     17.84041982      5.32638898    -12.82309481
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  H     16.82892676      7.40355225     -8.98459749
  O     16.22293854     12.94253737    -10.32879180
  H     15.45052115      5.33210940     -5.90521755
  H     16.57942900      6.12054902     -8.15298972
  O     13.37055169      6.84271395     -8.41706646
  H     15.54513125      6.82963795     -6.28257749
  H     18.75240428      8.54807143    -13.44560697
  O     14.69763214      8.69505239    -12.19453461
  H     15.81415161     13.55403029    -10.93572756
  H     18.68833781      7.04943515    -13.77558085
  O     19.12140783      9.38587895    -11.81975309
  H     16.33238565     12.10230642    -10.80721899
  H     16.89983672     12.36783578     -6.85272251
  O     20.65971583     11.05978458    -10.19336255
  H     13.44838414      7.78818282     -8.24800072
  H     17.79194457     12.95936884     -5.73270059
  O     19.24846581      6.96207298    -10.43848852
  H     13.96454475      6.42040148     -7.78326604
  H     15.60926315      7.86552186    -15.53916824
  O     15.38635459     12.23434490     -7.70077960
  H     14.74664445      7.89091517    -11.65608339
  H     16.74020547      7.89404000    -14.48326156
  O     12.85473303     10.02771043    -10.55228075
  H     14.96083249      8.44538629    -13.08937073
  H     17.17457069      9.43039917     -8.34244239
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  H     16.72649936      9.68439835     -9.83251298
  O     18.80892695      5.41720027    -12.77245828
  H     19.13890438      8.55817950    -11.31636127
  H     17.97891128     12.90919713     -9.59702444
  O     16.98660376      6.44455278     -8.96500954
  H     20.01555992     11.68942184     -9.82266860
  H     18.58889869     12.67965241     -8.20386242
  O     18.44345670      7.92067279    -14.11232270
  H     21.48001505     11.53394501    -10.29891414
  H     15.00573424      9.02885274     -6.40904129
  O     17.81130405     12.40558572     -6.50824019
  H     19.23311208      6.37607954    -11.20538151
  H     16.51570083      8.89736430     -6.08990190
  O     15.78002997      7.78121907    -14.60515847
  H     18.50272133      6.68861717     -9.88366817
  H     15.65320501      6.28374507    -10.21303391
  O     16.58717369      9.13657186     -9.05316576
  H     15.55706771     12.51374233     -8.60996785
  H     14.14285730      6.44937675    -10.03705428
  O     18.80907250     12.72274160     -9.14257431
  H     14.82984324     11.45005132     -7.75885914
  H     20.42908083      9.59279484     -8.98094449
  O     15.64346709      8.53012182     -5.88676724
  H     13.43440934      9.59842003    -11.19977614
  H     19.98838203      8.11901918     -9.03269365
  O     14.82767634      6.35044859    -10.71284349
  H     11.96288671      9.85630713    -10.84741362
  H     18.14125673     10.57723494     -6.62383483
  O     20.15375766      8.85167211     -8.42748551
  H     14.96012681      9.43816547     -8.43953393
  H     18.89920314      9.34520238     -7.24333042
  O     18.08597504      9.62971094     -6.79851829
  H     13.54765351      9.88698378     -8.88011073
  H     15.55990467      5.56530082    -12.24226454
  O     16.09738569      5.38523177    -13.02515968
  H     19.17732967      4.58908108    -13.06868917
  H     15.88875194      6.08811397    -13.65198448
          69
 Energy    -249.13941844810557     
  O     15.02756359     11.36887120    -10.47201231
  H     15.80341366     11.16530482    -11.01234804
  H     18.15360542      3.31123367    -13.87202197
  O     15.38415509      7.52503442    -15.28371076
  H     15.03684950     10.72604366     -9.75469429
  H     18.90636611      9.65959652     -9.28221184
  O     14.08020486      5.10700912    -11.64364285
  H     14.51625365      7.94726097    -15.32614535
  H     17.89275113      9.75946789    -10.44511824
  O     18.27426531      6.53142285    -10.45849847
  H     15.24471466      6.59826880    -15.04187765
  H     15.78914630      7.94674504    -13.54914847
  O     17.23157789     11.24599798    -14.61459982
  H     14.05194684      5.98688627    -11.24365630
  H     16.94330368      7.47544912    -12.64744150
  O     10.45107324      6.95750875    -13.04952446
  H     13.16552335      4.83271163    -11.78544144
  H     13.69289420     11.62163876    -11.53937561
  O     12.93390460      8.78500498    -15.07882034
  H     18.21343615      7.42359908    -10.10577879
  H     12.50152039     12.48497893    -12.02340142
  O     14.20110584      7.73820082    -10.75510324
  H     18.59803702      6.62884367    -11.36639616
  H     13.32360082      4.63576354    -14.93919968
  O     11.07221914      6.84318004    -15.86069799
  H     17.48250896     11.97415819    -15.17664167
  H     12.01159284      4.41233626    -14.16846818
  O     18.57586377      6.76039876    -13.21604663
  H     16.25903985     11.19311699    -14.64627459
  H     14.01786109     11.39261787    -13.79946797
  O     18.01363042      8.50976983    -15.29252260
  H     10.50387576      6.98609727    -14.01266815
  H     13.98859083     10.36191233    -14.93514664
  O     17.65900670      4.10853954    -13.70477680
  H     10.97570372      7.70504449    -12.73184848
  H     15.82675717      4.50106058    -11.18199180
  O     18.07305117      9.31790494     -9.59772919
  H     12.27727111      8.20180110    -15.47901277
  H     17.23087177      5.03751664    -10.77070526
  O     16.12071673      7.98234597    -12.64257783
  H     12.72700334      8.81501852    -14.13338517
  H     14.73259677      5.05548848    -13.37269080
  O     12.98768580     11.68598316    -12.20814976
  H     14.53415422      8.14838677     -9.95048256
  H     15.92836381      4.58757937    -14.23735216
  O     12.36382349      4.60109844    -15.04702592
  H     14.90838875      7.81760754    -11.41766998
  H     11.02404461      5.39737997    -12.51905040
  O     14.51363394     11.08326558    -14.56681845
  H     11.55006203      6.02016428    -15.65105952
  H     10.73081860      3.99411212    -11.93539064
  O     16.76739397      4.28557087    -11.16774263
  H     10.53796142      6.66309951    -16.62918491
  H     12.40538834      9.91826370    -12.26432133
  O     15.04091076      4.96283059    -14.28621139
  H     18.36258286      5.87151897    -13.52677317
  H     12.90508132      8.54083641    -11.74815865
  O     11.41571487      4.52499172    -12.33273122
  H     18.52608997      7.36151740    -13.97458670
  H     15.41074268      9.04913675     -7.69964177
  O     12.28458639      8.96519000    -12.35691854
  H     17.86971053      9.44402971    -15.10634949
  H     16.39699103      9.18068840     -8.88061538
  O     15.45563794      9.17695197     -8.64428223
  H     17.13396083      8.15232188    -15.48241882
  H     16.78531551      9.56554350    -12.20404080
  O     17.21341932     10.40216544    -11.96181753
  H     17.38017346      4.07948953    -12.76963752
  H     17.38648690     10.84524540    -12.80047472
          69
 Energy    -249.13930758162218     
  O     18.37397890     10.16955817    -13.19387045
  H     18.55210162      9.21657674    -13.30160732
  H     15.48318665      4.21769448    -13.70446046
  O     16.11295017      4.06278013    -15.46738310
  H     19.21659538     10.59219433    -13.05355225
  H     12.83934942     10.00727936    -11.55285678
  O     12.48117620      8.02573463    -13.97007765
  H     15.30000674      4.45083380    -15.83831495
  H     12.45453506      8.70832459    -12.29552100
  O     11.55420828      6.94812071     -9.89586853
  H     16.25781687      3.23965336    -15.92755431
  H     15.53983562      9.04190615    -14.08092118
  O     13.76499573      5.16553651    -16.28059798
  H     12.17416326      8.55692893    -14.71156208
  H     15.71020908      7.65584803    -13.37254905
  O     16.38538114     10.49560571    -15.13830828
  H     13.45344578      8.05919285    -13.99131093
  H     18.58974284      7.06633669    -14.31121697
  O     18.00622265      6.21106162    -15.81433423
  H     11.78501548      7.76494499    -10.35765839
  H     18.05458635      7.14134812    -12.86724299
  O     13.99760819      6.14728205     -8.60659138
  H     12.30492085      6.74376313     -9.32461338
  H     11.31697726     10.18496852    -16.46067104
  O     16.07922325      8.10778948    -16.63753519
  H     13.61440021      6.00435076    -16.72890506
  H     12.69968532     10.30402727    -15.77511109
  O     11.15217992      4.69302689    -11.35489850
  H     13.18849864      5.15237806    -15.50477148
  H     13.66261806     11.45527767    -13.92138872
  O     13.79604122      4.10898540    -10.38796290
  H     17.16361264     10.46687671    -14.56668262
  H     14.69645656     11.15242490    -15.02817362
  O     15.00125960      4.47415202    -12.90858720
  H     16.47995096      9.80696820    -15.81007862
  H     12.37841776      6.25546464    -13.82538515
  O     12.58382304      9.08729373    -11.41426555
  H     17.45838962      6.85217184    -16.28515171
  H     11.91923673      5.01291754    -13.02040786
  O     15.17754179      8.15113079    -14.00752218
  H     17.44112094      5.44134857    -15.67798362
  H     12.96724712      8.40365753    -17.20179732
  O     18.69913933      7.53444211    -13.47154401
  H     14.19466428      5.81514724     -7.73517423
  H     13.12336049      7.69549273    -18.56399459
  O     12.09674524      9.68680823    -16.23117398
  H     13.99682150      5.37985631     -9.20704412
  H     13.63226641     12.44042726    -11.58105122
  O     13.75223458     11.29261087    -14.86771252
  H     15.29103310      7.99661963    -17.17958393
  H     14.60808553     11.27000935    -11.84804683
  O     12.45495707      5.29110031    -13.77323680
  H     15.78265191      7.92906515    -15.73087111
  H     16.00437004      5.84326805    -12.27707295
  O     13.45042832      7.70338634    -17.66693089
  H     11.21707743      5.52307079    -10.84890928
  H     15.99752471      7.11260868    -11.36211199
  O     13.71223709     11.60620587    -12.03622882
  H     10.32073634      4.29087105    -11.11853479
  H     15.93026388      9.68079500    -10.98337630
  O     16.48399404      6.65440800    -12.06048760
  H     14.33364126      4.09490009    -11.19039177
  H     16.92206293     10.36350390    -11.97454377
  O     16.10313015     10.48943577    -11.48200828
  H     12.87970165      4.14489553    -10.68940739
  H     14.74705238      7.52627835     -9.59069045
  O     14.99715501      8.15501405    -10.27946295
  H     14.13105574      4.77713970    -13.20599779
  H     14.17148543      8.44987954    -10.68894859
          69
 Energy    -249.13929402262335     
  O     11.42296387      9.89157596    -13.30766351
  H     11.78206465      9.78074589    -14.19949636
  H     19.92265372     10.25429651    -13.74557090
  O     16.24859111      6.54542973    -14.64005371
  H     11.94652631     10.58905770    -12.89729302
  H     14.34458505     12.23351758    -15.40718677
  O     17.20291382      8.77923357    -10.86319525
  H     15.68509203      5.98635868    -14.08796366
  H     15.57115748     11.95977014    -14.54371275
  O     16.90904228     10.63020688    -14.94363906
  H     17.01838496      6.79586191    -14.10788726
  H     14.17246378      9.05570813    -14.60374997
  O     12.72104354      6.94582367    -16.95710329
  H     16.30432265      9.12431905    -10.93508529
  H     15.33435966      8.05904019    -14.27113131
  O     14.97468353      5.41269958     -9.30099714
  H     17.21372075      8.18426752    -10.10285586
  H     11.14275284      8.29670502    -12.70446172
  O     14.51981911      5.22756288    -12.92628937
  H     16.82760339     10.48145207    -15.89367732
  H     10.13246228      7.27420117    -12.13142217
  O     14.55429690      9.54177656    -11.42543158
  H     16.27323310     10.02422319    -14.53242617
  H     18.04875201      5.78032230    -10.36008183
  O     16.28977778      9.99856545    -17.66285308
  H     12.17356956      6.48744409    -17.58833933
  H     18.34245811      5.94116128    -11.86577192
  O     16.06991906      3.61224115    -11.27253652
  H     12.57242271      6.51652626    -16.09375842
  H     13.07192142      5.51911563    -14.04059865
  O     15.51897647      7.47879842    -17.14877931
  H     14.35698920      5.95891470     -9.80673627
  H     11.80359938      6.37360536    -13.85577954
  O     19.43926619      9.62284062    -14.27489681
  H     15.23973896      4.69257247     -9.88620064
  H     17.87451588      7.93230612    -12.25323078
  O     14.70330338     12.38333163    -14.52581656
  H     14.21301459      5.87916582    -12.27913454
  H     18.80721211      8.07250138    -13.47794902
  O     14.94081827      8.91029935    -14.03883677
  H     15.00586698      4.55606749    -12.43192732
  H     17.54315252      6.74292948     -7.95528104
  O     11.03505354      7.37014146    -12.42314101
  H     14.71215840      9.27945208    -12.34808382
  H     16.44169149      6.29950733     -8.94603608
  O     18.19383406      5.28240171    -11.17452348
  H     14.10203598     10.38953957    -11.48311857
  H     13.74864837     11.99519772    -17.96929504
  O     12.32215012      5.89987488    -14.51697302
  H     16.98210318      9.96810644    -18.31768309
  H     14.80640804     11.00292379    -17.43328891
  O     18.26471502      7.43859896    -12.99332540
  H     16.02292865      9.07546227    -17.49408175
  H     12.57324540      7.08827461    -11.41065853
  O     17.29824618      6.75700750     -8.87625696
  H     16.87646627      4.16021079    -11.27978565
  H     13.83988654      7.90885899    -11.06775834
  O     13.99067144     11.47807994    -17.20490527
  H     16.35397840      2.70400194    -11.22495072
  H     13.73807896     12.09499153    -13.06460997
  O     13.46364329      7.01788892    -11.04476227
  H     15.87947183      7.06370493    -16.35204749
  H     12.99699526     12.73057309    -11.86940567
  O     13.20612171     11.89332333    -12.27533578
  H     14.58631634      7.23546631    -17.17558180
  H     13.06848194     10.14631241    -16.29811488
  O     12.73326197      9.44979963    -15.72083383
  H     18.59115997     10.04740079    -14.47743146
  H     12.65922924      8.63822079    -16.23967372
          69
 Energy    -249.13927860084911     
  O     15.57811638      9.43889703    -16.46434541
  H     16.09670771     10.24861417    -16.51496388
  H     16.95966515      5.75611960    -11.86230701
  O     15.21869801      5.24351015    -12.47384274
  H     16.07173446      8.84125803    -15.88021781
  H     19.47594363      9.16984114    -15.83028736
  O     16.77733814     13.57469149    -11.59604400
  H     14.57739576      4.72507244    -11.99437924
  H     19.11845726      8.71936601    -17.25168979
  O     19.41651693      8.37228483    -14.17780887
  H     14.80196434      6.10201361    -12.66099179
  H     15.99846447      7.82075045    -14.01044078
  O     14.36814628      5.88220577    -16.81655135
  H     16.66015352     14.45836720    -11.93531130
  H     16.74093714      6.81793748    -14.90398363
  O     17.33231468     10.59440441     -8.56258895
  H     16.83044331     12.98293819    -12.36508543
  H     12.41750792      8.74203718    -16.04223870
  O     14.29610786      7.72858316    -13.17272618
  H     18.47467251      8.18470283    -14.31879654
  H     13.96254463      8.80925631    -16.02365987
  O     17.02705125     11.64579437    -13.56102275
  H     19.80538316      7.54046192    -13.88252946
  H     16.43343739      9.10639575    -11.16425560
  O     19.96805804      5.79971548    -13.25687609
  H     13.82125247      6.58670599    -16.45564461
  H     17.22305276      9.21509203     -9.83910383
  O     18.92001052      5.27401248    -15.88424298
  H     14.92992333      6.30529357    -17.48483956
  H     19.10850535     11.55678206    -10.90095419
  O     16.29555864      5.00020739    -15.10696690
  H     17.60756372     10.61666857     -7.65024557
  H     18.23710763     12.79067048    -10.60597516
  O     17.81578738      6.13538078    -11.63252483
  H     17.93679081     11.17871587     -9.05480631
  H     18.43023043      9.65796998    -11.64348701
  O     19.23046498      9.50565541    -16.70352328
  H     14.45449893      8.58215655    -12.74297431
  H     19.31379335      9.62687476    -12.90687819
  O     16.74450156      7.74125968    -14.61677106
  H     13.79593982      7.89699058    -13.98213979
  H     15.78020650     11.42752487     -9.38195726
  O     13.19394895      8.31945240    -15.68393281
  H     17.76645433     11.17000789    -13.15251072
  H     15.62354173     12.53149430    -10.44426066
  O     17.17337699      8.72654948    -10.67101612
  H     17.16950741     11.64572580    -14.51448935
  H     19.41966263      6.62453946    -18.67869141
  O     18.84432976     12.16309682    -10.19479931
  H     19.20384170      5.87904726    -12.65728082
  H     18.92996044      6.37613546    -17.23601869
  O     18.98153352     10.21295348    -12.21332961
  H     20.64277256      5.32550417    -12.77908355
  H     14.98794999     10.66116720    -11.36922232
  O     15.15072836     11.81349268    -10.00377938
  H     18.01581962      4.99801822    -15.67393378
  H     15.70753379     10.59429733    -12.74256613
  O     18.88365969      6.99824922    -17.98361343
  H     19.36205149      5.38275707    -15.03502973
  H     18.14545741     10.81946060    -16.50819009
  O     15.16618504     10.08396278    -12.12657474
  H     15.56979015      5.19317679    -15.72198513
  H     17.67013076     12.22434506    -16.94950277
  O     17.47873925     11.51293111    -16.34458093
  H     15.91640761      4.90240374    -14.22678593
  H     15.91660391      8.20166327    -17.90227975
  O     16.08117540      7.39007982    -18.39781422
  H     17.62963835      6.99378640    -11.23058420
  H     17.02930269      7.22643069    -18.32219162
          69
 Energy    -249.13927541155400     
  O     11.56016947      9.30088823     -9.53064983
  H     10.92922461      8.77744628     -9.04455812
  H     13.40608644     14.40407583    -13.18100157
  O     13.57958529     10.91977297    -17.55448583
  H     12.26692435      9.54553663     -8.90474415
  H     17.11811033      9.75712297    -10.49589905
  O     13.47363326      8.79937266    -11.55183700
  H     13.72298364     10.73992087    -18.48013440
  H     16.97888202      9.30708213    -11.96919585
  O     14.71897887      9.82027315    -15.21463918
  H     12.74968736     10.47247068    -17.30752350
  H     15.61464056      8.72136260    -13.87393862
  O     13.66756201     12.90497760     -7.39293276
  H     12.79106831      8.73066146    -10.87487228
  H     15.05425274      8.27246615    -12.51165024
  O     12.35068296     13.34227615    -16.55912858
  H     13.89584001      9.65832027    -11.39761348
  H     13.01301813     14.54355481    -10.22396046
  O     12.25767892      9.47574510    -13.97174356
  H     13.86013125      9.64992272    -14.79781354
  H     12.03289420     13.37902283     -9.94675920
  O     14.28828019     11.44891286    -11.18113942
  H     14.51779489     10.15750855    -16.09563555
  H     18.75474092     12.24440485    -13.01165154
  O     13.59148153     10.07454903     -7.92560486
  H     13.21660385     13.37924918     -8.11565598
  H     17.77240152     11.41582471    -12.14982594
  O     16.50102567     14.25224199    -11.12508522
  H     13.47343515     13.37882186     -6.58924352
  H     11.85398167     12.65424298    -13.62120195
  O     11.52279584     11.85200903    -10.78333171
  H     12.90510917     12.62931744    -16.89929158
  H     10.56084999     12.08785349    -14.26331958
  O     13.24466942     13.78228481    -13.89983587
  H     12.73530155     13.62440435    -15.71869807
  H     15.28270900     12.09514417     -9.85948105
  O     17.46093529      9.90868145    -11.38149638
  H     12.59173563      9.12252947    -13.13712908
  H     15.18244805     12.71148768     -8.43797446
  O     15.87091294      8.34866069    -13.02203246
  H     11.87558783     10.34249469    -13.77525403
  H     16.24674928     12.13172999    -13.47174797
  O     12.52492288     14.09721395     -9.52266257
  H     14.60871672     11.69319355    -12.05921344
  H     15.21141962     11.25448953    -14.25976481
  O     17.87465408     12.24946645    -12.64599546
  H     13.36000170     11.70366123    -11.09964459
  H     10.74018206     12.71935283    -16.27977118
  O     11.14480732     12.00460076    -13.50017186
  H     14.50039760      9.85956968     -8.16564692
  H      9.19631556     12.73816653    -16.41135423
  O     15.81105054     12.44498684     -9.12045497
  H     13.58627576     11.00793724     -7.67899693
  H     16.35054584     10.78622650     -8.74823571
  O     15.31706354     12.04714081    -13.71620459
  H     16.37652537     13.74025348    -10.31383806
  H     17.08010398      9.65302639     -7.99051047
  O      9.92060485     12.26080220    -16.01678880
  H     17.04585033     13.69259734    -11.69044067
  H     14.13207822     16.25938570    -11.64689880
  O     16.41031077      9.82018526     -8.65030579
  H     11.38512763     10.97413651    -10.40698985
  H     14.93584535     14.94943507    -11.50073985
  O     14.04384697     15.30908457    -11.65310037
  H     11.21131850     11.85331156    -11.69911070
  H     11.51845551      9.48477800    -15.72770138
  O     11.27641783      9.80576573    -16.60692856
  H     14.02109333     13.20065068    -13.92209971
  H     10.66611351     10.53962028    -16.46120555
          69
 Energy    -249.13913082477438     
  O     10.55960365     10.95428904     -9.64639648
  H     10.47523113     11.52842130    -10.43098675
  H     13.86776015     12.08732621    -14.82270262
  O     13.32424500      8.65109410    -17.34457230
  H      9.88915555     11.23609624     -9.02900395
  H     18.70040847      8.20734610    -11.74863502
  O     10.99941275      8.46642293    -10.76765888
  H     13.73523827      8.45477286    -18.18209068
  H     17.17168139      8.33874846    -11.94688295
  O     14.14149822      8.30860875    -14.68304413
  H     13.09231625      9.59690183    -17.36124525
  H     15.22810127      7.73480681    -13.26716868
  O     14.23609648     14.24282737     -9.72615970
  H     10.34487163      7.85803404    -10.43290447
  H     15.01701861      7.83578605    -11.74198147
  O     12.45103915     11.23573036    -17.31608068
  H     10.81435699      9.33085506    -10.36539055
  H     13.26535236     12.62332149    -12.07988871
  O     11.60341051      8.71602736    -13.57119259
  H     13.28710259      8.41691082    -14.23979248
  H     13.37713262     14.01755722    -11.44894469
  O     14.69941938      9.66981846     -8.16685358
  H     13.95727857      8.30808894    -15.63081965
  H     12.84089232      8.42042477    -10.56265133
  O     14.06123516     11.02491196    -11.91521832
  H     13.82152252     13.46553345     -9.30951103
  H     14.05948632      8.85507508     -9.68718938
  O     13.09983904     11.98874917     -8.66734023
  H     14.21188076     14.94453182     -9.08158877
  H     17.73566641     10.41501126    -12.62736982
  O     10.41327667     12.50272339    -11.81345689
  H     12.70404875     11.85774976    -16.62291928
  H     17.20532896     11.83357799    -12.35556527
  O     13.08085008     12.65063713    -14.90137794
  H     11.49172296     11.14440315    -17.25785809
  H     11.55198095     11.74065507    -14.50964407
  O     17.96888855      8.80932458    -11.64286415
  H     11.37097146      8.55468049    -12.65169822
  H     10.25676590     11.11316191    -15.09759097
  O     15.67400228      7.62202253    -12.41864718
  H     11.33061824      9.62497026    -13.76842438
  H     15.73314689     13.23869516    -10.43854139
  O     12.96990015     13.54339811    -12.18196991
  H     14.86251658      9.31131090     -7.29886849
  H     15.47155453     11.92686939    -11.18497837
  O     13.79443919      8.56501448    -10.57023418
  H     15.57161061      9.86681854     -8.55747484
  H     16.03512032     10.99066543    -14.10981919
  O     17.46104710     11.23079465    -13.06517448
  H     13.95573253     10.16657968    -11.49129027
  H     14.94564253      9.96354361    -14.61430707
  O     10.74567454     11.25628758    -14.27837730
  H     14.42680112     10.87997263    -12.79868630
  H      8.89056727     10.53567702    -17.27954861
  O     16.18320180     12.48476965    -10.83361522
  H     13.65454330     11.22905154     -8.45123286
  H      9.97748425      9.63560278    -16.63945674
  O     15.14210320     10.89872826    -14.47518236
  H     12.27352308     11.62890141     -9.00764244
  H     16.84396046     11.11437926     -9.80202248
  O      9.70647093     10.55966228    -16.78805027
  H     11.21869486     13.03379030    -11.88183472
  H     17.40203053      9.70449622    -10.08026704
  O     17.01015584     10.25428929     -9.39080200
  H     10.34033218     12.05251220    -12.66560706
  H     11.59785032      8.12875111    -16.67601660
  O     10.74643253      8.10992692    -16.22015416
  H     13.06840397     13.20739984    -14.11362505
  H     10.95505564      8.13603048    -15.27691046
          69
 Energy    -249.13898735615101     
  O     12.98447190      5.43825092    -10.24347272
  H     13.46701342      5.85440311     -9.52042071
  H     17.78925419      8.36365410    -12.19868972
  O     15.09302015      9.52419700    -16.05094539
  H     13.64509668      4.93154944    -10.73336697
  H     15.61879534      8.48725070    -11.74313179
  O     18.35218552      8.08134977    -13.88584657
  H     15.14152314      9.92102631    -16.91857169
  H     14.28170091      8.51781330    -10.97032573
  O     17.19330503     11.36170159    -11.59545599
  H     14.15932831      9.54940149    -15.79023413
  H     11.64889370      6.18450847    -11.09537196
  O     12.41207702      9.57951023    -15.28965523
  H     17.63734073      7.67392458    -14.39729076
  H     10.12439404      6.13179213    -11.33191226
  O     17.15838590      2.95477997    -13.02085686
  H     19.04808161      7.41794373    -13.80354555
  H     20.96998594      5.70798627    -13.56063531
  O     11.90137205      7.20044837    -14.15009818
  H     17.09773674     11.17344764    -12.54641245
  H     19.66926400      5.48076936    -12.75254500
  O     16.82273769      6.14329829    -10.08736469
  H     17.82287675     12.07410724    -11.51902485
  H     14.43568486      7.02091569    -12.92231981
  O     14.58719541     11.48331879    -10.42910880
  H     12.18677248      8.71497731    -14.89790804
  H     14.64826789      5.49276235    -12.94934759
  O     17.86063715      4.67115453    -15.01219637
  H     11.64282790      9.86863661    -15.77317102
  H     16.33455886     10.31671135    -14.76931745
  O     13.04254799     10.50532881    -12.65099876
  H     17.35517504      3.52186644    -13.78781003
  H     17.65069809      9.79614644    -14.16705808
  O     17.39773191      8.56424391    -11.33575281
  H     17.25967876      2.05265393    -13.31172212
  H     15.59798548      6.67156508    -14.73491671
  O     14.66376649      8.39195344    -11.84838350
  H     12.74715829      6.73810564    -14.06693256
  H     15.88845074      7.80850152    -15.73822332
  O     10.91189959      6.61982989    -11.55924314
  H     11.44606989      7.03398324    -13.31589796
  H     18.31352186      3.98136945    -11.86544572
  O     20.03317993      5.88340763    -13.56185608
  H     17.07032743      7.00140521    -10.46088444
  H     18.23964377      5.14400112    -10.85179922
  O     14.41788584      6.24561061    -13.50658142
  H     16.17357296      6.32455988     -9.39633408
  H     11.13684842      8.40183670    -10.99213761
  O     17.06289006     10.56423033    -14.18989579
  H     14.00169157     11.40427912    -11.19346168
  H     11.76276086      9.76180126    -11.38846849
  O     16.26085995      7.00361799    -15.36131001
  H     15.48210822     11.50993579    -10.78895066
  H     15.80361697      3.77943884    -12.06749598
  O     18.83806490      4.67614503    -11.44806043
  H     18.67088054      5.06756814    -14.66798160
  H     15.79180024      4.99724901    -11.10583181
  O     11.36983052      9.27501610    -10.65250246
  H     17.30382345      5.40516845    -15.30037713
  H     14.36098935      7.67048120     -8.58751905
  O     15.22142256      4.39846020    -11.61055534
  H     13.66039122      9.78098729    -12.46511659
  H     14.61194712      6.72952848     -7.38634459
  O     14.68459130      6.78727248     -8.33565087
  H     12.76448256     10.37426017    -13.56275292
  H     12.80365632      9.15456651     -9.59194027
  O     13.72317648      9.13095040     -9.28470959
  H     17.42154141      9.52404099    -11.23618750
  H     14.10463329      9.99424844     -9.50177023
          69
 Energy    -249.13895283761707     
  O     16.14468700     11.30629485    -15.43431596
  H     15.89148689     11.10069572    -16.33984914
  H     15.28728590      4.08765287    -16.48016418
  O     13.95910679      4.81172310    -15.64563918
  H     17.11431971     11.26954536    -15.41142690
  H     19.44039946      5.96325912    -15.63626794
  O     17.99642202      8.25267130    -12.30384692
  H     14.17581797      4.87990250    -14.70364723
  H     19.93097572      6.68576778    -16.89470074
  O     19.23919260      6.76481776    -18.72183761
  H     13.43986598      5.59529981    -15.84746421
  H     18.62481221      8.42215852    -18.15228461
  O     16.67461601      5.84779871    -18.68473910
  H     18.78773365      8.40933806    -12.83266980
  H     17.76106650      8.57078704    -16.88839919
  O     13.67108112      8.22943552    -10.47796653
  H     17.26179060      8.69183405    -12.76167116
  H     16.46509740      8.16598093    -15.00915139
  O     14.64425907      5.34365817    -13.02387756
  H     18.33565250      6.39958755    -18.73428767
  H     16.01484572      7.53139802    -16.36196527
  O     15.88647577      9.25097221    -13.69715084
  H     19.67400110      6.44664801    -19.50799931
  H     16.99559558      5.17988389    -10.77959243
  O     17.83717800      5.12995202    -15.17002172
  H     16.49020434      5.06413910    -18.15173452
  H     17.25724633      4.56594487     -9.38585408
  O     13.86224452      5.32441306    -10.39192423
  H     15.95951727      6.46859734    -18.49732965
  H     12.88545354      7.66844404    -14.94105808
  O     18.88443930     10.78249354    -15.53007808
  H     14.63247596      8.22866296    -10.32023500
  H     11.70960706      7.53218017    -15.92928517
  O     16.09022607      3.72213063    -16.89474991
  H     13.29015385      8.81566290     -9.82952380
  H     20.14809558      7.93047047    -14.75590179
  O     20.08036139      6.61917639    -15.94499481
  H     14.25842900      5.19427160    -12.14841012
  H     21.07321780      8.73863817    -13.82353838
  O     18.13990727      9.07031500    -17.62915263
  H     15.59851525      5.41695834    -12.89812836
  H     17.63616615      6.48479925    -12.41700574
  O     16.73997168      7.57854681    -15.72483736
  H     15.85957935     10.05346016    -14.24066762
  H     17.65804918      5.25820514    -13.37300338
  O     16.68065226      5.15963557     -9.85969338
  H     14.99257680      8.91974471    -13.55712347
  H     16.99740023      8.21525733    -10.70194423
  O     12.65583077      7.43159461    -15.85435792
  H     17.45856620      6.00513899    -15.36145244
  H     16.50656572      7.07288624     -9.79642932
  O     20.15979352      8.62677562    -14.07671159
  H     17.35296613      4.50713658    -15.72309398
  H     16.65548460      9.94522836    -18.08230388
  O     17.39990100      5.54789136    -12.48760526
  H     13.67666026      6.26733128    -10.30231636
  H     15.78890400     10.91935140    -18.91451945
  O     16.34506765      7.99686040    -10.02379697
  H     14.75993852      5.19696730    -10.05743800
  H     13.39467222      8.09799058    -12.32473271
  O     15.76320455     10.32434186    -18.16918520
  H     18.79451887     10.30600199    -16.36629300
  H     13.92486862      6.97822178    -13.23550273
  O     13.50538252      7.85294807    -13.25232459
  H     19.33264109     10.16216231    -14.94412228
  H     13.96770364      7.69950485    -17.14915759
  O     14.76219531      7.73209565    -17.69705893
  H     15.91008045      2.80416601    -17.07791788
  H     14.94014085      8.65900302    -17.90649831
          69
 Energy    -249.13855601218194     
  O     -7.79815362     -1.74752276      6.08198286
  H     -6.85536048     -1.65715499      5.89842618
  H     -4.38113248      1.37430894      0.99132508
  O     -9.24369684     -1.25919533      3.68230947
  H     -8.24428303     -1.79737786      5.22606282
  H     -6.47716308      0.26655741      3.34204038
  O     -5.75314909      1.37431481     -0.19906750
  H    -10.01637833     -0.86427001      4.10421262
  H     -7.31024831      1.13937499      4.34905657
  O     -4.79851809      1.46912329      5.88153085
  H     -8.59647084     -0.54112416      3.58272582
  H     -4.97397668     -1.29638251      4.45967699
  O     -5.08025685      5.91121357      0.73689941
  H     -5.94771043      0.42976369     -0.19827804
  H     -4.33809033     -2.02527711      5.66323797
  O    -10.17209009      1.51965905      0.71013863
  H     -6.47086421      1.79614306      0.29820493
  H     -2.14063387      3.88378335      1.24062614
  O     -9.30531325      0.15580580      7.25903262
  H     -4.78426732      0.50797190      5.83639874
  H     -0.96296878      3.31126862      0.41381048
  O     -5.04065689     -0.79930648      2.74755951
  H     -5.71985954      1.70605481      6.06782785
  H     -8.05408454      4.35585329      3.96778307
  O     -4.34649833      3.77469326     -0.80077816
  H     -4.87326249      5.17651199      0.13244515
  H     -9.37808603      3.55419468      4.14848894
  O    -11.16249957      0.19585492      5.18386145
  H     -5.18176096      6.69104966      0.19788674
  H    -10.61275655      2.07440286      2.53513878
  O     -6.41076493     -1.34925510      0.32505049
  H    -10.57945800      1.99525052     -0.00977363
  H    -10.87093150      1.69164276      4.00617341
  O     -3.68341492      1.32592870      1.66188795
  H     -9.30733288      1.93813945      0.86807980
  H     -9.50688551     -0.26363480      0.74834966
  O     -7.32466151      0.70276183      3.48625873
  H     -8.73888949     -0.56314897      6.92146894
  H     -9.20612463     -1.32307201      1.82417607
  O     -5.03027092     -1.41351800      5.42257588
  H     -9.31644895      0.08052541      8.20933165
  H     -8.15890588      1.47839297      6.48069737
  O     -1.89121064      3.19660649      0.59569287
  H     -5.49666668     -1.11662429      1.95754049
  H     -7.93338932      2.75453450      5.59554376
  O     -8.66318129      4.00103906      4.62575673
  H     -4.41719885     -0.11941999      2.45245099
  H     -3.34898850      4.44898601      2.99997245
  O    -10.65009038      2.43158450      3.42889060
  H     -3.46059106      3.55362297     -0.48694122
  H     -3.57098851      5.48088309      1.87893858
  O     -9.03801736     -1.09315480      0.90015326
  H     -4.85171880      2.95232526     -0.77909683
  H     -4.50927071      2.60732717      4.52379067
  O     -7.50701208      1.96530454      5.96799708
  H    -12.04177226      0.01017192      5.50549426
  H     -4.22026268      2.48718170      3.00682341
  O     -2.88281299      5.00221544      2.35712196
  H    -10.58372976      0.23543270      5.96186525
  H     -7.40484197      3.28216699      1.76352404
  O     -4.46776647      3.11268946      3.69998380
  H     -7.36483542     -1.27125187      0.50658210
  H     -7.63976149      1.80264978      2.14072114
  O     -7.71027095      2.43684519      1.40957404
  H     -6.30367521     -2.10485669     -0.24695644
  H     -5.90392093      4.09001791      3.13678597
  O     -6.61131183      4.59153998      2.70275128
  H     -2.93847278      1.83410394      1.31900483
  H     -6.18081305      5.17087741      2.06284568
          69
 Energy    -249.13826353821869     
  O     13.19253004      3.39875177    -12.11629042
  H     12.41673566      2.82427433    -12.10888102
  H     10.58132174      9.76810792    -11.80701722
  O     13.64543095      3.85034878     -9.43652132
  H     12.91136546      4.20762034    -12.56147939
  H     10.50933155      4.97513072    -12.50037782
  O      8.27101800      6.67022284    -13.36473647
  H     13.68176260      3.61025417    -10.37241778
  H      9.94438446      3.56328466    -12.21510711
  O     15.17075818      7.93275325     -9.35892502
  H     12.91313876      4.48428799     -9.37392217
  H      8.84182034      7.14501786     -9.46819669
  O     12.03014938      6.63134950     -6.79076238
  H      8.59659267      5.82781290    -13.02393985
  H      8.28075128      8.43648409    -10.09069068
  O     10.72598768      1.91218531    -11.92199985
  H      8.99241075      7.02625977    -13.89922315
  H     12.10046002      6.39996350     -9.99307397
  O     12.71251910      2.12210095     -7.56749498
  H     15.10043825      7.16959094     -8.75860562
  H     10.79305500      5.64488088     -9.54536703
  O     12.00514678      5.86574473    -13.05418806
  H     16.09735513      8.14536086     -9.42905127
  H     11.21768801      1.70343653     -8.66803716
  O     11.22206189      9.38681407    -10.08553770
  H     11.93723406      6.34165002     -7.71423190
  H      9.76547458      2.19544532     -8.78672030
  O      7.52788561      8.75292475    -11.77791133
  H     11.22516568      7.13467140     -6.59536203
  H     13.81343505      8.90587216     -8.38969407
  O      8.73256440      3.44811559     -7.79655535
  H     10.54313376      1.06751990    -12.32469722
  H     12.70650297      8.42791053     -7.44017190
  O     10.09195939      9.71403949    -12.63815478
  H     10.62671342      1.79254998    -10.96069800
  H     14.47956326      5.07677547     -8.26357096
  O      9.70298904      4.49657807    -12.25593817
  H     13.13143713      2.68111785     -8.24507437
  H     13.91766437      6.03214327     -7.17895491
  O      8.81332298      8.10762868     -9.35607665
  H     13.39521583      1.55985026     -7.21116356
  H      8.82696220      4.70464445     -9.12501930
  O     11.72860686      5.77848818     -9.35393556
  H     11.60045189      6.46484148    -13.69388400
  H      9.15060879      5.01797556    -10.63553063
  O     10.44165551      1.67876860     -9.24084115
  H     12.43896343      6.43893228    -12.40502779
  H     12.39260807      8.24857168    -10.84717042
  O     12.98760191      9.18055501     -7.97164613
  H     11.79183769      9.46789309     -9.30682263
  H     13.81937680      7.66602358    -10.61994724
  O     14.70423632      5.82907421     -7.69855619
  H     10.41118234      8.94603643     -9.79790538
  H     11.35060541      4.86224967     -6.32943837
  O      9.02273594      5.40677629     -9.75829414
  H      6.65452859      9.04646621    -12.02311525
  H     11.61584825      3.36408458     -6.63470025
  O     12.99125465      7.52906079    -11.09682987
  H      7.72010549      7.96514760    -12.31819565
  H     10.50503558      8.54625655    -13.87979948
  O     10.94355716      3.98879260     -6.33325097
  H      9.47989835      3.67687216     -7.21413168
  H     10.76051300      8.24772149    -15.37571073
  O     10.61105688      7.83004501    -14.53177966
  H      7.99508108      3.23839702     -7.22989185
  H      9.51332140      8.97124775     -6.28163826
  O      9.71539037      8.13462959     -6.69524441
  H      9.17631568      9.54423847    -12.38383350
  H      9.32029495      8.17509314     -7.57926935
          69
 Energy    -249.13777170604163     
  O     12.53365327     11.47335760    -12.56343732
  H     12.53351553     10.92129783    -13.35692769
  H     19.07444268      8.17489915    -15.82454699
  O     15.98241043      6.86453735    -13.74320703
  H     13.14563023     12.19306987    -12.75963302
  H     16.21388826     12.16648110    -15.84310325
  O     18.48736356     10.01657006    -11.52976151
  H     16.85410361      6.92896356    -13.33096919
  H     14.76399679     12.09762012    -16.35722927
  O     17.62980375     10.95605348    -15.74246463
  H     15.32074546      6.92730488    -13.04102310
  H     15.86282500      8.62509826    -14.18652860
  O     15.26556505      8.59917586     -8.70919229
  H     17.67223688     10.51503917    -11.69762215
  H     16.31815662      9.96168451    -14.87272967
  O     13.93598806      7.24744557    -11.85925878
  H     18.46179502      9.74608454    -10.60388685
  H     18.13879646      6.57627557    -10.94700877
  O     16.14024636     11.22951835    -12.16548332
  H     17.85919829     10.29321521    -16.40821810
  H     16.99217177      6.17127271     -9.97937832
  O     15.44094631      8.57105356    -17.59080537
  H     18.36002501     10.98826607    -15.11203646
  H     11.40590134      6.70663419    -13.82770927
  O     15.07701854      6.05063163     -9.60717219
  H     16.18768968      8.87912867     -8.74599602
  H     12.76977308      7.11326109    -13.22848614
  O     18.10793331      8.76040156    -17.39100570
  H     14.78068653      9.13824401     -9.34928618
  H     20.52830250     11.26235598    -13.71962473
  O     14.33767747      6.60047175    -15.98054071
  H     13.95174247      8.16919539    -11.56277127
  H     19.38597984     10.51205314    -13.00120000
  O     19.57277254      8.07304953    -15.00473917
  H     14.24074444      6.71054788    -11.11677082
  H     18.41691706      8.26807917    -12.23764208
  O     15.35871305     12.61533538    -15.80157136
  H     15.96617306     10.61880920    -12.90121041
  H     18.90409355      7.45019049    -13.45593634
  O     15.68009276      9.57012316    -14.26327811
  H     15.72125721     12.06277439    -12.41158659
  H     18.67841972      8.96018059     -8.17779718
  O     17.91195192      6.45843442    -10.01402723
  H     14.85129504      9.33058160    -17.55073823
  H     18.11134394      8.02090616     -9.27012392
  O     12.22535064      7.14988235    -14.03252511
  H     15.01093610      7.85684593    -17.09719076
  H     13.26683894     10.44384559    -16.38201270
  O     19.75234244     10.72915635    -13.87429795
  H     15.11368050      6.93267231     -9.19217936
  H     12.88984144     10.99390074    -17.77705657
  O     18.43754957      7.37670037    -12.60991672
  H     14.76631566      5.44356631     -8.94063789
  H     13.35189461     10.38187372    -11.33181541
  O     18.13246566      8.94500168     -8.95970217
  H     17.14662183      8.63292509    -17.49399274
  H     14.86986722     10.30984975    -11.20736551
  O     13.63165924     10.80999523    -17.20596363
  H     18.49500658      8.60495571    -18.24828460
  H     14.61790446     14.28239178    -13.22087294
  O     14.05968848      9.87284292    -10.91222343
  H     15.01836488      6.52884203    -15.29599025
  H     14.88026253     13.11306653    -14.19671466
  O     14.65381263     13.33121027    -13.27472367
  H     13.51333802      6.68633747    -15.49119404
  H     13.91876236      9.70545745    -14.58391416
  O     12.96795327      9.75743218    -14.77303386
  H     19.77839669      8.96876081    -14.70979447
  H     12.60014297      8.88555015    -14.58586714
          69
 Energy    -249.13775965230150     
  O     13.88533692     12.20615896    -13.50713352
  H     14.74652950     12.61645004    -13.36425594
  H     14.22558213      5.87570057    -16.78556389
  O     14.98097675      6.24045783    -13.84228523
  H     13.95052196     11.77924242    -14.37267991
  H     19.85940304      5.48576135    -15.42444330
  O     18.50518427      8.15091262    -11.64073921
  H     14.58962915      5.80197519    -14.60861837
  H     19.52515412      6.85931106    -14.79021420
  O     19.02731955     10.15048816    -16.16474417
  H     14.26636506      6.66925349    -13.35059315
  H     16.99769672     12.40578672    -14.97611011
  O     12.13673625      7.53100809    -15.29547688
  H     18.23624106      8.12209233    -10.71388636
  H     16.14509386     11.64611367    -16.00642996
  O     14.73415601      8.73972726     -9.40483739
  H     18.15167850      7.34687356    -12.05024682
  H     15.54296136      7.86616876    -14.44598175
  O     13.00286268      7.65531380    -12.55511464
  H     19.71511034     10.58288555    -16.66507781
  H     16.53445684      8.41664798    -15.49130509
  O     16.89448245     10.12998793    -12.66016694
  H     18.32342955     10.81116790    -16.03952324
  H     16.67001387      6.26833523     -9.82682217
  O     15.00137040      7.06952514    -17.77435727
  H     12.53696328      6.68759996    -15.54156176
  H     16.70529971      5.48239682    -11.14992340
  O     13.57629993      6.23010001    -10.19676859
  H     12.28476108      7.63315561    -14.34739375
  H     19.58542786      8.47347805    -13.20592935
  O     17.60615689      7.81152015    -16.82111912
  H     14.48509742      9.32252293    -10.13460035
  H     19.63430442      9.10113721    -14.63440217
  O     13.75511505      5.30734897    -16.14841681
  H     14.23601224      7.92520699     -9.54436976
  H     16.58685692      5.94374160    -13.19565889
  O     19.13424598      6.05498188    -15.17997674
  H     13.03337374      7.14343642    -11.73622765
  H     18.05889052      5.75048751    -13.62388381
  O     17.04367317     11.95450518    -15.82807891
  H     13.36306920      8.52967600    -12.34587351
  H     16.41136573      8.30466094     -9.18175918
  O     15.94447938      8.67967501    -14.77390318
  H     16.60613061      9.67736134    -13.46749221
  H     17.59081148      8.07822023     -8.20691071
  O     16.22186235      5.56928262    -10.31902364
  H     17.49377776      9.52038593    -12.21277229
  H     12.58454872      8.57275130    -16.63740189
  O     19.96797396      8.37959376    -14.08733388
  H     15.89967523      7.36633457    -17.58454204
  H     12.19407172      9.17965448    -18.00501438
  O     17.48801693      5.83612388    -12.85232277
  H     14.42672818      7.84499175    -17.75352923
  H     13.90232500     10.82810223    -12.31452151
  O     17.31225515      7.94113522     -9.10833782
  H     14.49459822      5.91614216    -10.27763953
  H     15.16556836     10.01104266    -12.02030778
  O     12.92947777      9.05421893    -17.41105865
  H     13.11074017      5.58293588     -9.67361541
  H     17.14252652     13.34584290    -12.48668423
  O     14.21902100     10.05396681    -11.82853035
  H     18.14519565      8.61194395    -16.75409744
  H     16.83436368     11.88890731    -12.90347381
  O     16.70580010     12.82102164    -13.15224477
  H     18.09206679      7.11058636    -16.36647629
  H     13.90139390     10.35470117    -16.49899863
  O     14.49984385     10.77124319    -15.86890635
  H     13.56203235      4.48827586    -16.59510979
  H     14.95292448     10.03698045    -15.42729299
          69
 Energy    -249.13710198278409     
  O     21.75931750      7.54400853    -14.15130226
  H     22.63511838      7.74830168    -14.46825119
  H     17.37417168      5.05947170    -15.24525976
  O     17.18562895      6.49159637    -10.51895195
  H     21.13437550      8.01532038    -14.73143416
  H     15.30402879      8.68896825    -12.28831030
  O     12.14068451      8.83409245    -11.95710488
  H     16.50439681      5.80838117    -10.49485146
  H     13.82520456      8.67978594    -12.74919997
  O     18.11784458      9.93238059    -13.74790419
  H     17.40890456      6.64095558    -11.45171402
  H     18.11797841      6.64970085    -13.81217296
  O     11.92564866      6.13252148    -11.76395163
  H     11.94563895      7.88027059    -11.91847295
  H     18.91755766      7.39447651    -12.68955646
  O     19.79710171      3.58599561    -11.90360036
  H     11.33199559      9.27390078    -12.20335939
  H     19.93656761      5.05335428    -10.72212914
  O     15.16925606      4.61282081    -10.72529346
  H     18.35875140     10.31858080    -12.89961873
  H     18.96321254      6.07385731    -10.11500699
  O     20.54542686      4.95419941    -14.11505166
  H     17.93734844      8.99737734    -13.55651829
  H     17.37381968      7.92524688    -17.93735343
  O     17.00941442      3.23002125    -12.39080962
  H     12.21474546      5.92028496    -10.86767417
  H     16.96563969      8.29060771    -16.49075766
  O     15.97315032      3.99747652    -14.74660375
  H     12.64712847      5.85336471    -12.34504343
  H     13.12306226      8.76441148    -10.29952059
  O     19.90672080      8.87042899    -15.62335469
  H     20.34977110      2.81383243    -11.81124676
  H     14.59128490      8.80371835     -9.83771560
  O     18.14666765      5.63097885    -15.34522639
  H     20.09987382      4.05131153    -12.70417704
  H     20.38065099      7.30973053    -11.16172166
  O     14.72191272      8.44261371    -13.01931146
  H     14.51182415      4.89907831    -10.07947105
  H     21.01101919      7.91530518    -12.47274119
  O     18.03232439      7.22007976    -13.03876371
  H     14.86417934      4.95440930    -11.58037502
  H     19.32999261     10.85100998    -10.46749113
  O     19.90488386      5.88585412    -10.23459563
  H     21.05173104      5.77402062    -14.13421100
  H     19.44726935      9.51590901    -11.23521700
  O     17.60684759      7.78614227    -17.02360433
  H     19.76137209      5.11174372    -14.65993475
  H     14.57997967      6.61416471    -13.19034218
  O     13.70980787      8.50525501     -9.57829971
  H     16.46398249      3.55040575    -11.66158497
  H     14.83929303      5.20175093    -13.82121008
  O     20.40298321      8.08653206    -11.74399046
  H     17.93362427      3.35462505    -12.14344817
  H     16.68643342      9.74898824    -14.94038392
  O     18.85364609     10.26422576    -11.04907836
  H     15.61186817      3.24660342    -15.21009053
  H     15.43178597      8.92269149    -14.68418521
  O     14.33345131      5.67898557    -13.15443816
  H     16.36373560      3.65801670    -13.91876440
  H     13.40519379      6.80574720     -9.25113582
  O     16.00139252      9.24064057    -15.39658465
  H     19.39187388      9.39858163    -14.99721806
  H     12.80312419      5.73432030     -8.31327931
  O     13.17745333      5.86131647     -9.18084155
  H     19.25779962      8.49218925    -16.22652293
  H     16.56291426      8.15800500    -10.49388762
  O     16.25050258      9.05725819    -10.68241412
  H     17.94159686      6.29998616    -16.01112456
  H     17.04409689      9.59749752    -10.75169489
          69
 Energy    -249.13709317133163     
  O     17.82489288      9.70515467    -15.24580594
  H     17.36307081      9.78454387    -14.39274330
  H     13.53279778     10.13959212    -11.02381139
  O     13.25969272      8.23735068    -11.03579235
  H     17.95805221     10.60177977    -15.57523366
  H     19.65273338      5.25028226    -13.49286656
  O     18.17822652     12.41419527    -15.80330896
  H     13.01246814      7.98961156    -11.94472540
  H     18.94944195      5.62697731    -12.17367290
  O     15.98532082      7.77392531    -15.99500335
  H     12.60218595      7.85640412    -10.45910542
  H     15.02088413      7.65517067    -11.31260592
  O     19.80026124      8.51744575    -13.72469291
  H     18.58815042     12.92954935    -16.49255915
  H     15.63317281      6.82327095    -12.47442526
  O     20.74901767     10.59027018    -12.19186068
  H     18.69897853     12.56219527    -14.99146451
  H     21.07007772      5.81002237    -15.61189434
  O     18.61185465      7.32730251    -11.38852417
  H     15.14332016      8.24199962    -16.05240644
  H     19.53764287      6.01774140    -15.55394561
  O     12.82574620      7.43958593    -13.60666003
  H     16.65934911      8.44648511    -15.81755388
  H     17.11730893     14.71891050    -11.65088885
  O     15.92462411     13.30235048    -14.25011452
  H     20.11565545      7.72206802    -14.17116242
  H     16.72874901     13.70151125    -12.75124826
  O     13.53257645      9.23413750    -15.75538230
  H     19.16122599      8.93354671    -14.32085268
  H     17.28092279      6.38987390    -16.33524661
  O     14.22974542     11.06447231    -13.85646710
  H     21.68397105     10.49651933    -12.02502972
  H     17.58434596      5.01278113    -15.70449206
  O     13.71475639     11.07754858    -11.16183704
  H     20.48727474      9.83759305    -12.74859632
  H     16.57142143     10.40466362    -12.18055858
  O     19.07279520      4.90486735    -12.80309524
  H     18.92626352      7.77506744    -12.18615318
  H     16.25977122      8.93418072    -12.55619654
  O     15.85434736      7.38870350    -11.72005242
  H     17.64384775      7.31285002    -11.42723301
  H     18.81325044     13.15365669    -12.82683408
  O     20.36681347      6.13300127    -15.05530420
  H     13.51415041      6.77415999    -13.74479049
  H     19.91506015     12.07094555    -12.98059102
  O     17.26768146     13.82562388    -11.94864848
  H     12.91502104      8.05139140    -14.34602778
  H     16.81962411     12.28581299    -11.00338785
  O     17.96348254      5.71320967    -16.25084678
  H     15.24774171     12.61556060    -14.20105510
  H     17.31625471     10.94628693    -10.36435156
  O     16.48787531      9.79584460    -12.92703837
  H     16.57759120     13.00581690    -14.89554780
  H     15.71542156      5.17709080    -14.06481778
  O     19.44319466     12.76954288    -13.44950689
  H     12.93859406      9.58625031    -16.41375496
  H     15.49928710      6.58201406    -14.69779414
  O     16.53534869     11.41518500    -10.69708496
  H     13.71675353      9.95668671    -15.13046569
  H     19.50599246     10.26747479    -10.75283972
  O     15.19135545      5.98455827    -14.00055193
  H     13.82297610     11.20397957    -12.98900154
  H     18.73250943      9.00315937    -10.37274997
  O     18.80191563      9.94551777    -10.17729012
  H     15.04425654     10.58133153    -13.64911058
  H     17.73076323      4.19834166    -13.65989324
  O     17.01418519      3.89361187    -14.24579196
  H     14.61959250     11.22088816    -10.85340423
  H     16.98655778      2.94332500    -14.17927472
          69
 Energy    -249.13705691789175     
  O     12.49897028      2.38122861    -12.20492565
  H     12.73992747      1.68696683    -12.81387331
  H      8.75805882      8.38233332    -11.62317041
  O     11.26470494      1.34548553     -8.24079877
  H     11.63236751      2.13490327    -11.83580173
  H     12.37652873      5.73564098    -10.40905066
  O      9.20979013      6.09535479    -13.90063552
  H     10.63105096      2.02964252     -7.95572588
  H     12.19704701      4.31068431     -9.82679768
  O     15.64587556      6.88147480     -9.34101287
  H     11.21849268      0.64101036     -7.60086599
  H     12.84197203      5.67072786     -5.30114012
  O     10.62863412      5.83989394     -7.60362946
  H      8.83162852      6.98071162    -13.83235393
  H     12.10718439      5.81122996     -6.65388391
  O     13.25325945      2.82623236     -9.52587887
  H     10.05621731      6.20802608    -14.35147527
  H     10.55601241      1.36054476    -10.02398471
  O     13.08142549      4.99081516    -13.31696488
  H     16.59525583      6.91188996     -9.41845892
  H      9.41997780      2.09576973    -10.74689667
  O     11.78147641      8.85148716    -11.03702388
  H     15.42272966      6.03667645     -8.90701783
  H     13.59965678      7.45070907     -7.00472509
  O      8.50869540      8.84990582    -13.42812294
  H     11.00163611      5.63050893     -8.47318943
  H     14.56144750      7.85821833     -8.13664856
  O      8.00718392      3.22543923    -10.11560226
  H     10.24017220      6.72411795     -7.66927224
  H     14.36087782      3.95651833     -8.57279470
  O     11.17977766      9.14579201    -13.78997740
  H     13.16897417      2.59576735    -10.46037434
  H     14.20953049      4.94823149     -7.39147365
  O      9.10118972      8.01510204    -10.79925850
  H     12.65031702      2.25353640     -9.03174524
  H      9.30611759      5.45478439    -12.25485157
  O     11.72814041      5.12958071    -10.02687630
  H     13.36157248      5.57852265    -12.60085956
  H     10.18932184      5.17437704    -10.97162147
  O     12.98331631      5.82249550     -6.23198801
  H     12.85361601      4.14482132    -12.91725206
  H     13.03641652      7.56903666    -11.19158401
  O     10.23740873      1.60782059    -10.90118533
  H     10.87735315      8.51528711    -10.95810467
  H     14.33918623      6.88545821    -10.64300274
  O     13.89775316      8.20449753     -7.52779832
  H     11.95157693      9.34700306    -10.22612142
  H      8.87340146      3.29101885     -8.42603232
  O     14.81624527      4.65361088     -8.08251291
  H      7.99144652      9.51079674    -13.87934492
  H      9.77586989      4.18396576     -7.53785324
  O      9.28555380      5.27564562    -11.30248675
  H      9.44487929      9.04698712    -13.61542500
  H     12.75979233      9.36272505     -8.11056785
  O     13.58461915      6.77216217    -11.23348142
  H      7.07951251      3.19988714    -10.33347368
  H     12.28469393     10.83534496     -8.13353454
  O      9.47527641      3.27540674     -7.67084264
  H      8.38022990      4.00644318    -10.56235559
  H     12.26577386      6.01364937    -14.43019732
  O     12.09957950      9.97070413     -8.48950202
  H     11.48528890      8.33115837    -14.21028471
  H     12.10279148      6.50322714    -15.88722410
  O     11.77250997      6.62903215    -15.00181716
  H     11.53854594      9.14758103    -12.89286082
  H      9.36008605      8.33447113     -8.97138523
  O      9.72528327      8.38261147     -8.07716150
  H      9.08042249      7.05296019    -10.89809459
  H     10.47374450      8.98852478     -8.13301393
          69
 Ord_Energy   -249.136597    
 O   0.187453404      -3.71579099     -0.125258371    
 H   0.670364499      -4.46967173     -0.453822047    
 H   0.851281226      -3.08577633      0.206845507    
 O    1.21623588      0.363521248     -0.780494869    
 H   0.378720433      0.345633090     -0.290826797    
 H    1.58819079       1.24622011     -0.673794806    
 O   -1.88783896      0.504567444       4.90153313    
 H   -1.05099237      0.334736735       5.35319662    
 H   -1.95482099       1.46594739       4.83570862    
 O   -3.45638514       1.53503478       1.11741900    
 H   -4.02454090       1.43518960      0.347012490    
 H   -3.81168890      0.992215753       1.83936524    
 O    1.70004547     -0.357687950       3.20881319    
 H    1.62642312      0.533038318       2.83636379    
 H   0.826295912     -0.765650451       3.09007072    
 O   0.845811486      0.176499516       5.78948784    
 H    1.27325916     -0.349602580       6.46062899    
 H    1.25240600      -7.09348992E-02   4.94195318    
 O    1.99558294       3.03165436     -0.307370484    
 H    1.08394098       3.31254196     -0.511399209    
 H    2.58073473       3.65984130     -0.720415413    
 O    1.98177958      -1.85351765      0.725375652    
 H    1.85363948      -1.10582161      0.123727784    
 H    2.09506154      -1.46362877       1.59822476    
 O  -0.878629684      -1.18211234       2.91555667    
 H   -1.00684035     -0.788178623       2.03868437    
 H   -1.31317663     -0.606682241       3.55673337    
 O   -4.30590773      -1.57163632     -0.671280622    
 H   -4.37511396      -1.93345761      0.219568178    
 H   -3.45803738      -1.87964499      -1.02397239    
 O   -1.25371909      -5.65017015E-02  0.450370252    
 H   -1.50673378     -0.754654408     -0.169099644    
 H   -2.02875209      0.494765610      0.612571955    
 O   -4.69525862      0.982477188      -1.35241842    
 H   -5.60448503       1.11011791      -1.60843468    
 H   -4.59280252       3.49720418E-02  -1.14172351    
 O    1.19410658       2.25176430       2.28506088    
 H    1.64014864       2.55330825       1.48517108    
 H   0.257708192       2.46347165       2.16156960    
 O   0.930524468       2.92756295       5.01364994    
 H    1.00041163       2.05681467       5.42453766    
 H    1.18893540       2.80127358       4.08981705    
 O   -2.33970499       2.07264352      -2.43144846    
 H   -3.15989685       1.69359887      -2.08118510    
 H   -2.58588886       2.56999397      -3.20977473    
 O  -0.521246135     -0.136017367      -2.94034743    
 H   0.223594695       3.52755599E-02  -2.34717393    
 H   -1.11404073      0.617219687      -2.83208442    
 O   -1.45768225       3.16752315       1.97634745    
 H   -2.21160364       2.63219285       1.68543196    
 H   -1.61930466       3.38142085       2.90250444    
 O   -1.73083127       3.35887051       4.77014399    
 H  -0.771351218       3.30813932       4.93291569    
 H   -2.08088875       4.01757336       5.36366034    
 O   -1.71425772      -2.09343243      -1.43309522    
 H   -1.05821276      -2.71106291      -1.08780527    
 H   -1.28629184      -1.52784157      -2.09405208    
 O   -1.74719012      -3.62350059       1.99044788    
 H   -1.13404667      -3.80095267       1.26875830    
 H   -1.38365138      -2.85104060       2.44926286    
 O   -4.27672005      -2.65784645       1.97107279    
 H   -4.88277817      -3.33917618       2.25138021    
 H   -3.39163232      -3.06319666       1.95718479    
 O  -0.613576591       3.60576773     -0.676543295    
 H  -0.972237229       3.58813024      0.221386150    
 H   -1.20581114       3.08058739      -1.22635531    
 O   -4.18304157      -7.21850321E-02   3.18166256    
 H   -3.54645538      -1.44622698E-02   3.90245080    
 H   -4.19175196     -0.987810135       2.87271047    
          69
 Energy    -249.13651271890859     
  O     12.69252605     12.66045856    -13.17573240
  H     12.42587740     11.73803439    -13.07608579
  H     19.01652486      5.98430610    -13.43268373
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  H     18.25893009     11.68945994    -16.38019340
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  H     13.57436601      9.82727778    -16.32623959
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  H     17.79999367     12.28041010    -11.69832261
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  H     13.66977139     10.08772533    -13.10588709
  H     15.68591731      9.90840252    -13.64489518
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  H     12.72999661      9.22783654    -12.24707159
  H     15.59732709      9.84877195     -9.65574445
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  H     14.64283065     11.03918434     -9.91721144
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  H     14.76227218      7.51850407    -11.48423913
  H     20.52859597      7.55236474    -13.17799137
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  H     12.58459021      7.80652137    -10.09387960
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  H     13.64262953      8.92887477    -10.24029181
  H     16.12996264     13.50017125    -14.74809473
  O     18.85309908     12.32553246    -15.94197541
  H     17.13137096      6.23308028    -11.95689161
  H     17.65935342     13.35994758    -14.89068779
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  O     15.51856295     10.76080137    -13.21890216
  H     13.84261797     12.66086982    -14.61627370
  H     17.04727191     14.01861915    -12.66250556
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  H     18.83046645      7.56840347    -15.07165605
  H     19.50823234     11.16436700    -14.61359258
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  H     18.82612399      9.09951292    -14.82402220
  H     12.08683802      9.60162089    -14.72362475
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  H     15.71159525      7.87523161    -13.59420410
          69
 Energy    -249.13511264327587     
  O     -5.72816691     -2.61892450      5.75905703
  H     -6.62223285     -2.47434355      6.08907439
  H     -7.60933171     -0.84515429      3.81202763
  O     -5.44579256      0.61240134      0.45915973
  H     -5.17568479     -1.95927075      6.19796921
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  O     -6.16993599      1.23729851      5.93735213
  H     -5.43684258     -0.35113238      0.43497676
  H     -3.41839242     -0.47263220      7.42583574
  O     -7.06039680      5.08584629      0.80173577
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  H     -3.57166718      4.74034105      1.63747897
  O     -9.99417825     -0.08589112      0.56856979
  H     -5.45570152      0.73133562      6.34417365
  H     -2.18732039      4.64442499      0.94832101
  O     -8.43114054     -2.03103938      6.65498407
  H     -6.44186950      0.74031261      5.14857532
  H    -10.64012847      2.98284361      4.81131379
  O     -3.00476455     -0.07568672      4.29727062
  H     -7.38025295      5.69878881      0.14506925
  H     -9.35034749      2.84424463      3.98242617
  O     -5.32106448      3.34824389     -0.38449965
  H     -6.49723462      4.44371716      0.33351866
  H    -10.60501033      0.73622776      3.65841244
  O     -8.98261360     -2.03669201      3.91811053
  H     -9.23301596      0.44261457      0.86634916
  H    -10.72971530     -0.07984727      2.34900015
  O     -5.76683709     -2.24727727      0.65618075
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  H     -5.08010995     -2.27885229      2.43758533
  O     -3.86693504      1.85872213      2.43445196
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  O     -4.08142932     -0.44200753      6.74194551
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  H     -9.01342159     -1.72565399      0.86654207
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  H     -3.46891942     -0.81848686      3.88185951
  H     -7.88677723      0.97440983      6.52178779
  O    -10.00479469      2.34383841      4.49387633
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  H     -9.27861301      1.19229948      5.91058577
  O    -10.84397252     -0.12990348      3.30629317
  H     -5.33706318      2.38891028     -0.28271780
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  O     -4.73434437     -1.95505461      3.27626882
  H     -8.89911327     -2.20571322      4.86345051
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  O     -8.40486841     -2.38779892      1.21355037
  H     -9.72370573     -1.42232472      3.79116771
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  O     -8.80531991      0.67144228      6.56770516
  H     -6.72362230     -2.32239928      0.82407430
  H     -5.74241165      2.69091176      4.91535256
  O     -4.83366139      5.49491229      2.60602241
  H     -5.54964041     -2.91577768      0.01165012
  H     -7.97198181      2.14258425      1.97697904
  O     -5.58238067      3.25017148      4.14412172
  H     -3.42498311      2.58238451      1.97366148
  H     -7.54021638      0.70610478      2.34997334
  O     -7.86259893      1.25546623      1.61650467
  H     -4.35965499      1.36031542      1.76830351
  H     -7.21554038      3.52768605      3.45761602
  O     -8.05554642      3.66105642      2.99088283
  H     -6.08640788     -0.72212565      3.51853554
  H     -7.86460823      4.25390141      2.25279872
          69
 Energy    -249.13503370901458     
  O     12.10135624     10.85664320    -14.06025948
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  H     11.97001068     10.02017600    -12.54686206
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  H     16.88739433      8.36209201     -9.59794493
  O     16.46661060      7.43373152    -18.00799940
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  H     17.71882750      7.67242326    -10.69919409
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  H     21.17183199      8.45494706    -14.66734564
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  H     14.86969278     11.19865848    -17.41549335
  H     13.52203143      9.11853952    -16.74556705
          69
 Energy    -249.13501952997655     
  O     -0.89228242      0.36545974      0.78409128
  H     -1.76409404      0.74405474      0.94950663
  H     -3.68388499     -1.98018367      1.85815984
  O     -1.88274750      5.19658130     -0.18620689
  H     -1.00707876     -0.51673664      0.41199179
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  O     -2.33320773      4.03089102      2.30824776
  H     -2.09758073      5.98481303     -0.67816258
  H     -3.26370773      3.67051166      3.82341038
  O      2.09844507     -0.23516307     -1.02924042
  H     -1.97512124      4.44911727     -0.80170271
  H     -0.91420443     -0.95632728      4.64443601
  O     -3.82695738     -2.06669998     -0.08260004
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  O     -1.70930439      0.23844931     -3.15475840
  H     -2.25548265      4.55428167      1.50092439
  H     -3.47984065      1.16870148      2.19569633
  O     -1.97552042      2.96101483     -1.77874266
  H      1.71326547      0.65095038     -1.06859673
  H     -3.00865195      2.50097470      1.57855471
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  H      1.56411685     -0.77157982     -1.62582154
  H     -2.57915644      0.39692954      4.18858246
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  H     -4.26263497     -2.84620006     -0.41919600
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  O     -3.46390319     -2.01606151      2.79515160
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  H     -0.01726034      4.80464396      0.36795843
  O     -3.65265911      3.31481364      4.63988915
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  O     -3.31988515      1.61486241      1.35325603
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  H      0.08258629     -2.82054203      2.56383598
  O     -3.48884651      0.58106585      3.90853608
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  H      0.59276951      2.49783215      3.00191585
  O      0.53544251     -2.89733601      1.71513708
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  H     -0.08871144      3.30079054      4.12473785
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  H     -1.98127342     -2.54252296      3.56105287
  H     -3.68039233      1.03009768     -0.30338343
  O     -3.65718653      0.56237881     -1.15166510
  H     -1.29614659     -3.48317710      4.57965817
  H      3.65775268     -1.23472434      1.53586251
  O      2.72342765     -1.05124883      1.48854816
  H     -3.67980637     -1.15324120      3.17289118
  H      2.54072586     -0.76828017      0.57420286
          69
 Energy    -249.13446610384082     
  O     13.94759688      1.43042743    -14.13703549
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  H     18.53476659      6.31296858    -18.91379928
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  H     14.57920580      1.95548695    -13.62962402
  H     15.35174372      4.13066134    -12.76249869
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  H     18.78475465      8.70604417    -15.59224130
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  H     17.18741532      3.96815727    -19.62828764
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  H     18.82823841      5.21820614    -13.60237962
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  H     18.87346046      5.26896420    -15.15332408
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  H     17.27722229      6.69406482    -14.13170855
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  H     18.80149361      3.35367169    -11.71352023
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  H     17.53392906      3.64972034    -12.53048418
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  H     13.18493015      5.63902361    -13.67502988
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  H     12.57926909      3.04198682    -16.82053033
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  H     15.39096794      6.56887788    -15.42227697
  H     13.77983404      2.26945692    -17.38195371
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  H     19.54183303      0.89114402    -16.58677429
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  H     18.50271087      4.69160692    -17.45573971
  H     18.54892936      1.26705933    -17.69724367
  O     16.44433331      7.18243529    -14.05408095
  H     19.01348704      3.35892485    -16.80426820
  H     15.11084328      6.46035816    -17.74840247
  O     12.65820914      5.62760028    -14.48319605
  H     15.56567932      2.17078058    -16.37779881
  H     14.82454892      5.90895418    -19.16112218
  O     13.10492188      2.92037350    -17.61811442
  H     15.81331371      0.98877404    -17.34380678
  H     19.54669896      7.94452592    -17.55107506
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  H     16.86193360     10.45670853    -15.31221676
  H     20.19948668      8.28727327    -18.91090284
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  H     16.86298781      9.34211190    -16.38413779
  H     17.07242783      0.14616709    -19.42648923
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  H     16.92726539      1.66349079    -19.15990240
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  H     15.60752631      4.51939846    -15.97437835
  H     11.04622013      2.53861171    -14.81893679
  O     11.87614504      2.96829722    -15.00901699
  H     17.04012438      5.91643675    -18.83992005
  H     12.57530007      2.39410010    -14.65009045
          69
 Energy    -249.13419335104356     
  O      1.99336715     -1.08716794      4.70768160
  H      1.91671627     -0.12651824      4.76351827
  H      1.14225423      0.61040170     -0.01799788
  O     -2.60678141     -4.17316574      6.46207050
  H      1.54294374     -1.36705066      3.89932707
  H     -1.42557887      1.54821588      3.78548380
  O     -1.66405327     -1.47347100      9.66030878
  H     -1.73755254     -4.24305146      6.88183924
  H     -1.80100738      0.86268704      5.11530870
  O      1.89680894     -5.12571483      5.82703141
  H     -3.07195513     -3.47584765      6.93732946
  H     -0.82725777      0.82052325      1.60711754
  O      0.53315796     -1.85242828      2.48381913
  H     -1.28845663     -0.62722739      9.38007412
  H     -1.97508098      0.02747607      2.26151867
  O      0.46714611     -4.43318293      3.63801911
  H     -0.90137957     -2.03345337      9.84537062
  H     -2.55277975      3.30940057      7.24100328
  O      3.39667564     -2.75594990      6.43719583
  H      1.41733064     -4.89138436      5.01156349
  H     -1.66682465      2.51830501      6.26455794
  O      2.14703195      1.40648466      7.83188256
  H      2.26830634     -5.99230418      5.68639212
  H      3.32681713      2.37141396      2.55857966
  O      2.67062932     -1.37524932      8.70611959
  H      0.72547655     -1.16052095      1.83972412
  H      2.12670303      1.99374840      3.43945351
  O      0.81367859     -2.91425857      9.92319182
  H     -0.40777647     -1.77576489      2.69993184
  H     -0.08177177     -2.34375993      6.86825102
  O     -2.20135998     -1.72358215      3.08581134
  H      0.62797596     -3.62190452      3.14041448
  H      0.65953655     -1.36344620      5.91357927
  O      0.92224254      0.44296476      0.89473609
  H     -0.49233851     -4.52999897      3.67602380
  H     -2.95451375     -5.16041815      3.50516768
  O     -1.31405209      1.61339875      4.74423867
  H      3.04292563     -2.15869920      5.76254389
  H     -2.50390326     -4.35743731      4.74837717
  O     -1.64765672      0.92261994      2.10386440
  H      3.00184100     -3.61461551      6.24861191
  H     -0.96062223      1.35209034      7.99089019
  O     -1.78990664      2.73832489      7.20192459
  H      1.24608885      1.19983049      8.13661487
  H     -0.33398425     -0.06820558      7.69589736
  O      2.43312539      2.03956060      2.51989938
  H      2.48781003      2.07571326      8.42091363
  H     -2.99524499     -1.80838704      8.56250159
  O     -0.09501722     -1.44820755      6.50905707
  H      2.61275738     -0.46229621      8.41226179
  H     -4.52433742     -1.92752693      8.38598016
  O     -2.38548034     -4.44863124      3.78520387
  H      3.00596728     -1.88238993      7.94985962
  H      0.66792985     -4.49052321      7.03716234
  O     -0.40839399      0.64304727      8.35153824
  H      1.47903851     -2.32429847      9.52322745
  H      0.29183802     -3.81141870      8.40085749
  O     -3.70086180     -1.94624193      7.90580706
  H      1.19596517     -3.24819446     10.72999299
  H      0.50750831      1.65331507      5.01984655
  O     -0.04387121     -4.06194375      7.53054844
  H     -2.35079653     -2.67307184      3.17693013
  H      1.72680792      1.65166693      6.00742608
  O      1.47385725      1.63622387      5.07626970
  H     -2.41824000     -1.34747896      3.95111655
  H     -1.65770500     -1.03645665      5.88576486
  O     -2.53849298     -0.70082770      5.64733763
  H      1.48462468      1.02714949      1.43173415
  H     -3.12124386     -1.00212685      6.35204960
          69
 Energy    -249.13383231731760     
  O     20.65543024      9.37644836    -12.28401869
  H     21.12907540      8.67716831    -12.74992879
  H     18.86002767      6.56021933    -16.46836112
  O     21.93534174      7.00127272    -13.28731420
  H     19.94506112      9.67331895    -12.86838779
  H     14.91749125      8.86021164     -9.91359364
  O     18.15360279      5.34384991    -11.45348487
  H     22.87326677      6.83265214    -13.32634342
  H     16.36584179      8.40552231    -10.24976058
  O     13.62096337      8.39716848     -8.66814749
  H     21.61105902      6.59074134    -12.46572338
  H     16.98329605      7.19252002    -13.84898209
  O     16.39537130     10.95976449    -12.24233502
  H     18.09672028      6.03433496    -12.13581562
  H     18.09475193      8.16380033    -13.39201125
  O     12.65355229      6.42704061    -10.26179804
  H     17.28693964      4.91393906    -11.44543910
  H     15.86608252      8.22680859    -15.35550345
  O     19.01389845      3.69277641    -13.74513885
  H     12.94696653      8.85173595     -8.17100192
  H     15.47004657      6.73119093    -15.48263959
  O     15.52868577      4.53034125    -11.70154974
  H     13.16887693      7.72429302     -9.20938946
  H     19.99507199      5.65259973    -11.04937606
  O     16.29906730      3.72766315    -14.33091743
  H     16.07831167     10.26852477    -11.63972792
  H     20.72375099      6.85019579    -10.41705350
  O     15.84642917      5.24683360    -16.48635603
  H     16.01132806     11.77679480    -11.93500494
  H     17.02506071      9.84042414    -17.05058352
  O     18.38253389      9.91717693    -13.80492327
  H     13.03762835      5.60710187     -9.92703393
  H     17.57808297      8.46308098    -16.61238010
  O     18.14382425      6.87344347    -17.03764597
  H     13.10044763      6.60414965    -11.10135897
  H     14.91659356      7.09974877     -8.05036014
  O     15.60243451      8.89111997    -10.59381870
  H     18.88547078      4.07227364    -12.86937320
  H     16.36069857      6.69086884     -8.39764633
  O     17.82715381      7.23537609    -13.38321627
  H     19.41498310      4.39827213    -14.27028029
  H     20.66002732      6.41505193    -14.52227338
  O     15.43855067      7.49675897    -14.89144890
  H     15.09698043      4.28663131    -10.87404861
  H     19.12323976      6.50305651    -14.44179854
  O     20.86345868      6.06401691    -10.95980186
  H     15.15393585      5.38459463    -11.96326835
  H     20.71704567      9.10802387     -9.14913273
  O     17.17203507      9.28771532    -16.28775811
  H     15.92865844      3.86792489    -13.45227546
  H     20.33426482      8.93792698    -10.63882060
  O     15.54410318      6.36857481     -7.99460639
  H     17.24893803      3.59007281    -14.20287276
  H     14.87752536      7.69788206    -11.81387167
  O     19.85011992      6.12052932    -14.95620781
  H     16.00066821      4.65101878    -15.72966282
  H     14.63137642      7.23269504    -13.27613664
  O     20.19168539      8.57956203     -9.74374169
  H     15.32694753      4.75778240    -17.11824428
  H     14.76306351      4.97341035     -8.72104937
  O     14.44799593      7.01910158    -12.35223683
  H     17.70034598     10.36354316    -13.27954787
  H     14.09531294      3.58281369     -8.59163390
  O     14.26712782      4.29028114     -9.20701555
  H     18.03765595      9.81549533    -14.70054131
  H     17.83171892      6.61901181    -10.14675995
  O     17.68353023      7.37051565     -9.55784301
  H     17.42808956      6.23153075    -16.95033217
  H     18.51905009      7.85338173     -9.51667779
          69
 Energy    -249.13370969156728     
  O     11.62772163     10.89452559    -14.22986236
  H     12.01838985     11.72663540    -13.94023678
  H     15.15274473      6.97161475    -16.33539029
  O     16.56910622      7.48965870    -13.40683343
  H     12.20215001     10.56379571    -14.93493436
  H     18.89320345      8.27400291    -15.67877106
  O     17.80161740      8.93316051    -11.42632803
  H     15.79966712      7.10273302    -12.96578966
  H     18.33783537      7.78714476    -14.33136124
  O     17.39789161     11.71154168    -14.59167413
  H     17.04395575      7.97622484    -12.71299735
  H     15.95226457     12.89590241    -14.99467818
  O     13.30197578      7.14028930    -16.51263473
  H     18.46937739      9.45844108    -11.88099491
  H     14.91766890     12.81113739    -16.13135646
  O     14.51572728      8.72045737     -8.59757108
  H     17.28375968      9.55441716    -10.89025592
  H     14.70833060      9.88920460    -14.73540787
  O     14.41587914      6.73799464    -11.85618379
  H     16.69343794     11.07912258    -14.37885884
  H     15.73722868      9.06574426    -13.88655373
  O     14.31242218     11.24906682    -11.85832263
  H     18.16006875     11.44607673    -14.06602577
  H      9.95057830      8.76018099    -12.65185418
  O     17.31580309     10.95275701    -17.30289453
  H     13.00414969      6.97472478    -15.59864398
  H     11.12245502      9.57130011    -13.25783344
  O     16.33917064      6.90241119     -9.88877291
  H     12.78074355      6.57763658    -17.07865147
  H     11.92268830      7.42628850    -13.57065415
  O     18.13230684      8.24541260    -17.40367845
  H     13.88386519      8.78872783     -9.33268541
  H     13.17797535      6.58413944    -13.25869007
  O     16.10419297      6.95578030    -16.17806071
  H     14.00089489      8.68883043     -7.79532662
  H     20.43972250     10.61583930    -13.05209882
  O     19.08431783      8.24473204    -14.73302603
  H     15.06874680      6.57530128    -11.15898486
  H     19.46441663      9.65527766    -13.77620440
  O     15.08274644     13.21369538    -15.27115442
  H     13.93463700      7.52806264    -11.57338442
  H     15.59925263     10.99000349    -10.54773256
  O     15.35905233      9.94137697    -14.02310335
  H     13.86595948     12.01514624    -12.23480137
  H     15.70771442     10.06443485     -9.32059057
  O     10.90067339      8.78612831    -12.72385232
  H     14.71339443     10.78059310    -12.60723339
  H     14.68009749     12.11004394    -18.58729449
  O     12.54485492      6.79729344    -13.95610348
  H     17.49171663     11.23383028    -16.39460937
  H     15.70963699     11.42208245    -17.65627661
  O     19.51454248     10.41740749    -13.17086587
  H     17.63265823     10.04506200    -17.38070921
  H     12.19678490      8.90793087    -11.40600956
  O     16.23148974     10.59978371     -9.92831443
  H     17.00410014      7.48004591    -10.28203392
  H     13.42956303      9.82614932    -11.21404853
  O     14.77817232     11.70156222    -17.73193550
  H     15.81228968      7.46606111     -9.30736309
  H     12.80811134     14.12947766    -13.28351681
  O     13.01362627      9.00804743    -10.90253156
  H     18.48606138      7.71734436    -18.11438638
  H     13.79720838     13.26256361    -14.09514372
  O     13.08640222     13.22956111    -13.42973693
  H     17.36920623      7.75855807    -17.04222700
  H     13.86485977     10.45545361    -16.74989582
  O     13.46983852      9.90127012    -16.06377947
  H     16.22745320      7.00437059    -15.22261020
  H     13.40428170      8.99290602    -16.38273984
          69
 Energy    -249.13344086713937     
  O     11.55268508     11.13191914    -10.94128857
  H     10.90135818     10.98923336    -11.63958955
  H     19.60203745      6.79760725    -16.05946412
  O     13.19593589      8.05310689    -15.16794624
  H     12.37691598     11.37416518    -11.38322070
  H     16.28481784     11.95946789    -14.59953114
  O     18.31640175      8.74170063    -10.90235808
  H     12.95608873      7.43137403    -14.46779745
  H     16.10944208     13.47809778    -14.36870848
  O     17.48081461      8.87880240    -17.33866883
  H     12.75387342      8.89087762    -14.96482694
  H     16.12439390      9.26733552    -14.43394345
  O     12.20414615     10.52957566    -14.44332370
  H     18.11230167      7.79158602    -10.99039131
  H     14.79114706      8.44695807    -14.44124590
  O     15.24901382      5.12322149    -10.46978101
  H     18.88911147      8.83229976    -10.14576187
  H     11.13082259      8.87888039     -8.73535515
  O     12.74669514      6.43440712    -12.95084158
  H     17.74440953      9.13703242    -18.21805661
  H     11.54221119      9.65831373    -10.00887498
  O     15.63454076      9.45799166    -11.41782887
  H     16.50468970      8.87104524    -17.33507270
  H     16.32924893      6.92657176    -13.95860999
  O     14.82245499      9.07117965    -17.23990673
  H     12.79522052     10.80581701    -13.72861897
  H     17.51936727      6.21366749    -14.61197747
  O     14.69025153      4.40615164    -13.25117028
  H     11.31540035     10.48285153    -14.07087949
  H     11.07485023      7.19868198    -12.44195856
  O     17.29963136     10.60077978    -15.07500598
  H     14.99720623      4.72929658    -11.31285851
  H     10.68690423      7.97311839    -11.16466561
  O     18.83316797      7.13491106    -15.60535578
  H     14.70725180      5.92017841    -10.38504003
  H     19.12756469      8.44015414    -14.07970198
  O     15.64113715     12.64702038    -14.35608234
  H     13.27169863      5.64000640    -13.10493305
  H     18.90391159      9.06369457    -12.67188741
  O     15.63543632      8.56741040    -13.98600680
  H     13.12371861      6.85105348    -12.16113880
  H     17.48074044      6.07204350    -12.26381476
  O     11.50484487      8.77241523     -9.60555804
  H     15.61548016      9.10519071    -12.32274433
  H     16.90550061      5.78095262    -10.87210327
  O     16.77139450      6.06555797    -14.02267539
  H     16.54079923      9.34107071    -11.11050395
  H     13.18025275     11.28108055    -15.86618061
  O     10.39253260      7.76520004    -12.06052868
  H     14.54144762      9.98565021    -17.08430267
  H     14.49221543     12.06580426    -15.83364836
  O     19.12731880      9.26910598    -13.58860597
  H     14.22897702      8.52948698    -16.70654812
  H     14.44154162      8.23050939    -10.79260025
  O     17.66370152      6.17944043    -11.32301234
  H     15.44619288      4.91902824    -13.58196356
  H     13.04688840      7.94235975    -10.15929095
  O     13.91793223     11.56547501    -16.42356951
  H     14.74701305      3.54367308    -13.65486090
  H     14.53455886     10.81589528    -11.97926624
  O     13.79340204      7.53542932    -10.61614450
  H     18.00495189     10.25397641    -14.50478921
  H     14.50661639     11.96338010    -13.01865996
  O     13.94866017     11.44059129    -12.42906249
  H     17.40358773     10.18315042    -15.93726910
  H      9.95893709      9.30870998    -12.74589506
  O      9.81445594     10.22544714    -13.04331837
  H     18.36651621      7.70630564    -16.23609954
  H      8.88370309     10.31394362    -13.22765599
          69
 Energy    -249.13341151724234     
  O     14.35073702      8.92549959    -10.34518362
  H     14.09621419      9.66492491    -10.91470110
  H     13.10863526      6.30119685    -10.00230888
  O     13.51155070     11.51563748    -15.81144120
  H     13.57871780      8.35568275    -10.23355821
  H     18.91413860      7.75339159    -12.48837109
  O     16.65604015     11.25935386    -12.48941919
  H     13.38623142     12.19211188    -15.13497676
  H     18.75148803      8.93199571    -13.49377455
  O     13.01767739      4.66402872    -14.43210053
  H     14.43408202     11.58569011    -16.08686893
  H     14.41792521     13.48623392    -13.72716225
  O     17.25156852      5.90223124     -9.13359627
  H     15.72932563     11.05106162    -12.31154503
  H     13.05904248     14.15148470    -13.39902821
  O     16.12854815     13.47582566    -14.11163222
  H     17.18868998     10.98423120    -11.73443129
  H     13.21816912      9.93732264    -14.99659366
  O     15.51142436      7.20508865    -12.24955922
  H     12.65581493      5.47877969    -14.03735146
  H     14.07095664      8.68070143    -14.69239611
  O     13.89238772     10.81895425    -12.27399078
  H     12.28142191      4.19222614    -14.81125376
  H     16.76278995     11.80194072    -17.24333425
  O     18.47956769     10.24940584    -10.59917415
  H     17.11327088      6.86512876     -9.05903212
  H     16.81482285     11.05685683    -15.89361386
  O     15.56862023      5.17975440    -15.66336214
  H     17.65570682      5.62104400     -8.31700713
  H     12.43406151      7.73302127    -13.57588128
  O     17.28584260      4.14063726    -13.54687571
  H     16.26069750     13.06201669    -14.97376608
  H     12.20425833      6.97703381    -12.23150226
  O     12.41704672      6.92840303    -10.28138753
  H     16.44995836     12.82638336    -13.46965696
  H     15.37075972      5.45314778     -9.42361510
  O     19.18726647      8.65997048    -12.67721975
  H     15.09687959      6.33599002    -12.17350179
  H     14.54211507      4.77067643    -10.52682552
  O     13.47927183     13.30736007    -13.53750833
  H     15.13841904      7.78335194    -11.57401636
  H     15.62055678      4.18007458    -12.68076820
  O     13.27988389      9.16468098    -14.41586951
  H     13.66666423     10.21103361    -12.99422167
  H     14.11393054      4.38779641    -12.99097747
  O     16.34799851     11.75167853    -16.38561862
  H     13.64310151     11.70228813    -12.57161244
  H     17.96145696      5.97990483    -10.90866986
  O     12.15487199      6.89164901    -13.18950669
  H     18.80720149      9.67788842    -11.31720903
  H     17.17943212      6.65958259    -12.03157811
  O     14.46701522      5.24570423     -9.68563758
  H     19.22597216     10.75294946    -10.28454110
  H     15.65222392      6.95312793    -15.33829464
  O     14.77369634      4.42238450    -12.28600834
  H     14.68504994      4.95398097    -15.34416971
  H     15.60521696      7.63003450    -13.94652684
  O     18.01272150      6.19578071    -11.84803478
  H     16.19020532      4.77508210    -15.04664654
  H     15.91130668      8.75438275     -9.40362657
  O     15.64682681      7.81347494    -14.89832207
  H     17.67162226      4.83831258    -12.99186907
  H     17.39851899      9.15772640     -9.53077026
  O     16.79924051      8.55267498     -9.07727290
  H     17.95936798      3.47400985    -13.65693404
  H     16.86487039      9.10002226    -14.87077793
  O     17.48853686      9.82968742    -14.73209541
  H     11.65515728      6.75828692     -9.73345939
  H     17.20000089     10.31167414    -13.94185778
          69
 Energy    -249.13302139755959     
  O     13.37060498      4.68067158    -11.00076578
  H     13.57388293      5.21947783    -10.22783014
  H     12.75800256     10.00881068    -14.41532777
  O     17.49526954      8.41404440    -14.09589387
  H     14.20972052      4.55627884    -11.46554632
  H     16.73735537      9.53088263    -11.03360029
  O     16.24804651     11.08954997    -10.39288000
  H     18.37003770      8.01570289    -13.99915025
  H     17.19395737      8.69935692    -12.30029331
  O     11.35465048      8.78576549    -14.77602149
  H     16.88887661      7.68946011    -14.30529853
  H     13.71278018      8.32960975    -11.56201650
  O     18.21585646      3.19889320    -12.80053851
  H     16.34497908     11.77111404    -11.07123175
  H     15.18881517      8.37040856    -12.03164426
  O     13.13454532      6.71815111    -14.31351361
  H     15.33086462     11.12938413    -10.10019351
  H     10.76907538      4.53955182    -12.74365747
  O     16.74444554      6.28497814    -10.08525387
  H     10.80741995      8.68340231    -15.55050778
  H     12.05038400      5.02708374    -12.02624819
  O     13.38346558     11.24826478     -9.82254617
  H     11.96562959      8.02947747    -14.76230321
  H     19.62957762      6.48500072    -12.74261408
  O     18.38352592      4.86256105    -14.94502404
  H     18.50635657      2.30830221    -12.97472026
  H     20.75240310      7.15927985    -13.56465812
  O     16.35969945     12.90041447    -12.57042740
  H     18.31407573      3.69768016    -13.63188153
  H     16.76481786     10.11320067    -14.43249958
  O     13.56054121     12.48820031    -12.21767017
  H     13.58049245      7.21827239    -13.60908376
  H     15.35612882     10.75589362    -14.49729206
  O     13.56777373     10.36016173    -14.02962864
  H     12.54072491      6.10138715    -13.86625170
  H     14.95880821      6.28630736    -14.74747642
  O     16.85981526      8.64088013    -11.39666015
  H     16.84576270      7.16086609    -10.49385709
  H     15.88437998      5.65035325    -13.69911846
  O     14.27953926      8.27957776    -12.34153506
  H     15.93861151      6.32591366     -9.55845479
  H     18.94013287      4.62833582    -11.71504981
  O     11.35786929      5.28448053    -12.66279874
  H     13.07499727     11.86930595     -9.16734622
  H     18.46400734      5.74559557    -10.76338892
  O     19.82496165      6.93876627    -13.58182073
  H     13.36625875     11.71565113    -10.67717274
  H     10.91061122      7.06687612    -12.15631482
  O     16.30011308     10.95902939    -14.45548608
  H     18.96977289      5.56489219    -14.63609562
  H     10.88826971      8.43518377    -12.84768112
  O     15.88728160      6.13972699    -14.53613774
  H     17.50934594      5.26805105    -15.02320546
  H     16.60017224      4.01565960    -12.33963489
  O     19.18098959      5.49245042    -11.35795572
  H     16.92180521     13.62260880    -12.83571189
  H     16.21719610      5.23156166    -11.45337074
  O     10.84311970      8.01516277    -11.98196707
  H     16.41018624     12.23081248    -13.27699202
  H     13.89629806      6.39830110     -7.98287588
  O     15.90248877      4.66025027    -12.17007203
  H     13.44137697     11.81947664    -12.90647221
  H     13.62225874      7.23611124     -9.25022798
  O     14.12956010      6.48229659     -8.90445219
  H     14.46392945     12.80940839    -12.33093878
  H     11.94521342      8.42591379    -10.62710546
  O     12.71391962      8.54114521    -10.04668719
  H     13.86816242      9.68811659    -13.39883924
  H     12.87863404      9.48631690     -9.92876349
          69
 Energy    -249.13300804129378     
  O     -5.83061122      4.03421660     -1.99707350
  H     -6.44987104      4.70589159     -2.27427689
  H     -5.27558308     -0.56698628      4.06035747
  O     -1.72930231      2.82210785     -3.40281141
  H     -4.95140151      4.33415893     -2.27735274
  H     -1.15155573      1.57871369      2.81473066
  O     -5.65698195      2.78586765      0.52882247
  H     -0.88356193      2.51587991     -3.05783653
  H     -0.73320961      1.96218160      1.39736113
  O     -3.50637446     -1.37668499      1.14843787
  H     -2.31233364      2.04885301     -3.40567714
  H     -0.82841084      2.37900172     -0.76163804
  O     -0.56490071     -0.93016593     -1.57097093
  H     -5.18356585      3.33982692      1.16379704
  H     -2.21868595      2.06215661     -0.13932144
  O     -3.46099718      0.66513713     -3.05261449
  H     -5.76105135      3.28952556     -0.28741393
  H      1.19730758     -1.46347102     -0.69486487
  O     -4.67255907     -2.35036231     -1.16471445
  H     -2.54909701     -1.41263571      1.28882651
  H      1.94790660     -0.55373374      0.28367503
  O     -2.72946777     -2.05298140     -2.99997934
  H     -3.92063302     -1.08343586      1.96910139
  H     -5.26840520      1.05009383     -3.08120453
  O      0.41273478      1.63295005     -1.86836719
  H     -0.81382232     -0.96994782     -0.63801258
  H     -6.14644983      2.21849304     -2.60442522
  O     -0.79120675     -1.13168388      1.28356888
  H     -1.25788814     -1.37668951     -2.07096108
  H     -3.54264919      1.19825899      3.41560017
  O     -6.72276338      0.39013369      1.40097671
  H     -3.51463401      0.77383779     -2.08938428
  H     -3.25830461      2.67437252      3.06828741
  O     -4.87138004     -0.18799827      3.28422647
  H     -3.20682883     -0.25216216     -3.20630060
  H     -7.85889223     -1.05905184     -1.54562923
  O     -0.42075596      1.49092887      2.18661052
  H     -4.28939822     -2.14668164     -0.29941282
  H     -6.75980087     -0.00203967     -1.78899003
  O     -1.43754100      2.62930515     -0.05633489
  H     -5.50199742     -1.86036766     -1.20897099
  H     -3.63504932      0.19485594      0.18772343
  O      1.71694942     -1.47711441      0.11854202
  H     -3.44367091     -2.22434706     -2.35856110
  H     -4.38373763      1.55205538     -0.01602181
  O     -6.17392239      1.28331430     -2.83188772
  H     -2.72568871     -2.78299979     -3.61250474
  H     -2.11384081      4.26385706      0.08602598
  O     -2.85397090      1.87355964      3.42159567
  H      1.07680619      1.64345386     -1.16936582
  H     -2.92074533      5.19344740     -0.81701010
  O     -7.02646946     -0.73643638     -1.20885566
  H      0.06851678      0.72540281     -1.88703671
  H     -2.71314524      4.17741509     -2.94987931
  O     -3.63715498      1.01839192     -0.31595867
  H      0.09956675     -1.45024648      1.08680410
  H     -3.06926380      5.63279455     -3.31180328
  O     -2.66574433      5.06207299      0.10122725
  H     -0.68836200     -0.25005458      1.66812015
  H     -3.55249403      4.63864722      1.53152739
  O     -3.30046146      4.92034799     -2.72111291
  H     -6.50132190      1.29619706      1.14209950
  H     -4.22452046      4.99092687      2.88021004
  O     -4.06877312      4.27269528      2.27236441
  H     -6.86819271     -0.08495011      0.57436040
  H      1.18459870      1.42381685      1.28311502
  O      1.90348338      1.36915104      0.63276861
  H     -5.59207904      0.00388154      2.65691491
  H      2.63917835      1.84881119      1.00701514
          69
 Energy    -249.13231765140540     
  O     13.88158210     12.32896366    -15.07508684
  H     13.44090696     11.60055212    -15.53601673
  H     12.30612143      6.38700277    -14.28108000
  O     13.48049036      6.84671927    -12.75775130
  H     14.81669535     12.25217691    -15.29355884
  H     17.05983460      8.87893332    -16.86085117
  O     17.96964735      8.00860906    -13.09276534
  H     13.71519808      7.55410585    -13.37926567
  H     16.51154658     10.31271343    -16.77191878
  O     18.11698618      7.63169126    -15.85404850
  H     14.29992788      6.35029437    -12.64033740
  H     13.93146140      9.04720026    -15.20464073
  O     10.57257212      9.02887475    -14.87468168
  H     17.42047281      8.80669989    -13.13240543
  H     14.87460907      7.79630967    -15.05168766
  O     16.54887508      9.54024136     -9.34936729
  H     18.32130821      7.97134622    -12.19459770
  H     13.32330890     12.46256063    -13.44766522
  O     13.08675050      8.60520987    -10.69251581
  H     18.97802187      7.31456630    -16.11700187
  H     12.62546295     13.34193493    -12.38285693
  O     16.27455881     10.15576870    -13.30114442
  H     18.14713345      7.74183700    -14.88955510
  H     17.25677001      6.54579908    -10.10486498
  O     13.64383461      6.24426619    -17.27603389
  H     10.86029879      9.37798087    -14.01164811
  H     16.28415329      5.74427696    -10.98497924
  O     14.68012569      7.48509095     -8.64695940
  H      9.62609092      9.13747314    -14.91231153
  H     11.86413153      9.54695214    -11.80864685
  O     15.70237758      6.14933940    -15.54280472
  H     16.02097330     10.14134532     -9.89038237
  H     11.91045264     10.90603854    -12.53320080
  O     11.86741666      6.48900487    -15.13385148
  H     15.91789579      8.91685515     -8.96726423
  H     15.91341977      5.69739562    -13.78436405
  O     16.46190706      9.50084973    -17.29159891
  H     13.49611867      8.23458253     -9.90171923
  H     16.73710093      6.57381834    -12.84825792
  O     14.53130212      8.58308264    -14.60870829
  H     13.17407063      7.92785542    -11.38097720
  H     19.31529322      8.07835023     -9.80232497
  O     12.99698867     12.47633409    -12.52986724
  H     15.63317833      9.60252545    -13.77905840
  H     17.87513808      8.60875307     -9.99621415
  O     16.46034024      6.00204159    -10.07044234
  H     15.83377733     10.44684959    -12.49333113
  H     14.08957143      9.01508680    -19.34286872
  O     11.46132750     10.05235492    -12.52534717
  H     13.67392443      7.09524355    -17.72667962
  H     14.93053008      9.07922466    -18.04636318
  O     16.11444791      5.83432910    -12.84719363
  H     12.94716287      6.29764222    -16.60315702
  H     14.17447717     10.04586161    -10.96444074
  O     18.53851716      7.98713067    -10.34765279
  H     14.47307848      7.05185566     -7.82328090
  H     14.19221904     11.49989470    -11.49345648
  O     14.04952723      8.86410943    -18.40216749
  H     15.26124228      6.88074925     -9.14317237
  H     16.60595770     11.22186036    -14.67288447
  O     14.74694525     10.81670463    -11.09682054
  H     15.05439197      6.05905150    -16.25865003
  H     17.38983420     12.32792095    -15.41855624
  O     16.65271187     11.72814902    -15.50246806
  H     16.51945673      6.52167104    -15.89038085
  H     11.94789037      9.68659212    -15.92631220
  O     12.78623742     10.05783308    -16.23071584
  H     11.33850064      7.29175837    -15.05389598
  H     13.03606548      9.65477999    -17.07210095
          69
 Energy    -249.13166839841008     
  O     12.22252691     10.81367115    -16.56708764
  H     12.77944981     11.25639826    -15.91844523
  H     16.27299562      5.24520296    -17.17198466
  O     15.59686643      7.80191329    -12.65837244
  H     11.46889630     10.47593971    -16.06594175
  H     18.38253122     11.40831202    -12.71085255
  O     15.22467700     11.97476601    -11.75645715
  H     15.40870565      8.34563416    -13.43987942
  H     18.04517406     10.11993231    -11.93994692
  O     16.25758938     12.65569364    -15.19803114
  H     16.01238493      8.38345257    -12.00648241
  H     16.88874232      9.73303533    -17.10902181
  O     13.53068853      7.28656124    -16.33931082
  H     14.74727667     11.85936449    -12.58754436
  H     17.87347519      9.80844648    -15.88919024
  O     12.79338344     11.58825011    -10.28597722
  H     16.01804316     12.47880100    -11.98013586
  H     14.44147544      8.60435344    -15.41311809
  O     12.90595294      7.98943247    -11.99358656
  H     15.33681933     12.46421296    -14.98671889
  H     15.72050952      9.51757146    -15.41600153
  O     13.77682953     11.56692879    -14.21254249
  H     16.59493647     11.88412317    -15.67594454
  H     10.68342886     10.15016515    -13.94676398
  O     17.33439357      6.72593450    -14.61192824
  H     13.35667743      7.81757925    -17.12810800
  H      9.31711310     10.04847134    -14.66168449
  O     12.82771937      8.81798875     -9.38098271
  H     14.31334014      6.75001715    -16.52412007
  H     15.48220107      9.22345872     -7.53266731
  O     19.10198881      8.95571123    -14.78902582
  H     12.87408531     10.73496952     -9.84298949
  H     14.53941203      8.89630526     -8.70320530
  O     16.00665059      6.11378919    -16.88335786
  H     13.67519101     11.81193920    -10.61210926
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  H     12.40692907      7.62045379    -12.73790834
  H     17.14011487     13.01675606    -13.74839960
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  H     13.00610079     11.33699311    -13.67660472
  H     17.96175427     13.98024912    -12.85678845
  O     10.24551631      9.85348187    -14.76309517
  H     14.20398448     10.72270584    -14.44094443
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  H     17.99505846      7.42806494    -14.65792446
  H     16.31976687      9.44529163     -9.99393043
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  H     16.50371468      6.30157520    -16.06662150
  H     12.82261695      9.23907126    -19.24167020
          69
 Energy    -249.13152925370105     
  O     -8.86959177     -1.75985441      7.33530368
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  H     -6.31077850     -2.97952449      2.48119440
  O     -9.24038552     -2.00044200      3.06149958
  H     -8.08909314     -1.17995194      7.39216753
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  O     -8.28035185     -3.53690516      5.19417524
  H     -8.69484269     -1.28343903      3.42361767
  H     -4.77400492      0.28029382      2.37943275
  O     -5.71163943     -0.11857728      0.85770367
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  H     -8.10602755      0.78765081      4.55056294
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  H     -8.48839396     -2.98933052      5.96104332
  H     -6.95634233     -0.27434608      4.41353429
  O     -5.15511589      4.34594779      0.58855052
  H     -8.73745216     -3.13060131      4.44479743
  H     -6.58925795      0.78600868      7.31615677
  O    -10.72786259      1.50598178      1.67531479
  H     -6.52005108      0.40864123      0.90849259
  H     -6.11068525     -0.52722541      6.66968163
  O    -10.60234703      0.14906066      6.13287372
  H     -5.97958831     -1.02731530      1.06094052
  H     -1.20554647      1.60475237      1.72016123
  O     -5.40673634     -1.05412542      5.09223330
  H     -6.02955671      2.75212570      5.98048803
  H     -2.64308405      1.83538714      1.19017626
  O     -3.87874297      1.85246822     -0.03523083
  H     -6.18937971      3.33905769      7.40059287
  H     -9.47567133      3.24684611      4.14291848
  O    -11.59769748     -0.46552162      3.45979286
  H     -5.35761133      5.09765127      0.03704799
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  O     -6.73123632     -2.52159562      1.74378057
  H     -5.91321065      4.22604051      1.18534275
  H     -6.66531475     -3.72064859      4.60396824
  O     -4.27921298      0.52641699      3.17406993
  H    -11.09161456      1.71405434      0.81762839
  H     -5.36802963     -4.52846155      4.35054728
  O     -7.72632506      0.10930091      3.97740822
  H     -9.77065872      1.39279302      1.54707993
  H     -8.21556561      2.36442967      6.10250115
  O     -6.67326106     -0.17173702      7.37377545
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  H     -9.54246263      1.53723048      5.85776458
  O     -2.08785325      1.84061488      1.99217263
  H    -10.95297038     -0.14803587      5.28546615
  H     -2.80971284      3.49681182      2.66200426
  O     -9.68662649      3.72689535      3.32648960
  H     -4.85850043     -0.56496658      4.46245496
  H     -3.89936334      4.41062325      2.08744216
  O     -5.77587872     -3.67933384      4.20614249
  H     -5.43123924     -1.97665028      4.80788718
  H     -5.05462933      1.99619248      4.00828113
  O     -8.91393583      2.16581541      5.46909314
  H     -4.50500528      1.12968166      0.10599779
  H     -4.61972194      3.47034652      4.00699612
  O     -3.40450429      4.22177391      2.89431938
  H     -4.37006321      2.67707091      0.07090995
  H     -7.68154197      2.22363669      1.72239706
  O     -5.29263636      2.86628269      4.35573143
  H    -12.53792425     -0.59108873      3.35202828
  H     -7.85877716      0.83324017      2.37300078
  O     -7.98683829      1.32387526      1.54441644
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  H     -8.01736449      3.95243661      2.73811943
  O     -7.11124084      3.82361726      2.42010517
  H     -7.66008145     -2.43966411      1.99312504
  H     -6.57531218      3.51785315      3.16465703
          69
 Energy    -249.13083226323488     
  O     17.55643981      9.48598841    -10.71571560
  H     16.95693244      8.92469056    -10.19503377
  H     12.77291696      8.88221070     -9.47058467
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  H     17.58755766     10.33639044    -10.26273763
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  O     17.40535899     11.72077388     -9.01260670
  H     12.77731608      6.32283118     -8.38805796
  H     19.15152311      2.97996659    -11.70039548
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  H     14.07378079      5.49239317     -8.49626219
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  H     17.23722332      5.41450018    -14.22849194
          69
 Energy    -249.13052573137151     
  O     -3.18177384      4.70451454     -2.64536562
  H     -3.72127773      5.22179866     -3.23697833
  H     -0.14273964      3.37921348     -2.78117570
  O      1.88814858      2.63237304      5.70324838
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  O     -1.24039691      2.68495578      0.54798717
  H      1.49620449      3.24137914      5.05400387
  H     -3.34837669      3.07185376     -1.82422075
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  H     -0.52027168      2.08467081      0.31852354
  H     -4.41314026      4.03321740      1.78893510
  O     -2.82058881      5.93216617     -0.24434873
  H      0.51693125      1.34383434     -1.69848479
  H     -4.84605086      5.33330713      2.50948374
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  O     -1.78701342      3.58001009      3.02474444
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  O      1.87500615      5.66094380      1.55610010
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  H      1.17827331      5.53682497      0.88693393
          69
 Energy    -249.13033379139529     
  O     13.84550610     13.89922876    -14.65629248
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  H     15.74151596      6.00677288    -13.70367219
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  H     14.86358087      7.78518210    -10.91292292
  H     18.36131854     11.45092005    -10.49828680
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  H     16.31432891     10.72479679    -16.43676910
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  H     15.57402191     10.53597915    -17.78113048
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  H     14.73071468     12.18605421    -10.86134894
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  H     13.81369067     11.03782985    -10.38298078
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  H     13.41173023      6.74794050    -14.65075291
  H     16.30738434     12.85342920    -16.39597231
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  H     14.23605842      7.47341909    -15.73389115
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  O     12.97456699      9.67444066    -13.83093228
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  H     13.89535354      9.80384358    -13.54782905
          69
 Energy    -249.13021662808444     
  O     -3.00401145      4.33602432      2.79889218
  H     -2.88710995      3.91916233      1.92783080
  H      0.05406866      8.13008099     -2.84853954
  O      1.72148916     10.09571126      1.56764532
  H     -3.66039673      3.82357692      3.26401392
  H      2.19259886      2.40782448      2.21947449
  O     -0.55137877      8.74139212     -1.25440428
  H      1.84322967      9.25009733      1.11406393
  H      0.92669429      3.29869443      2.25039352
  O      0.61264346      9.47711796      3.96807059
  H      0.99855406     10.53810404      1.10490769
  H     -0.00724920      2.48478989     -5.37673921
  O     -1.87172434      9.87156171      2.57832952
  H     -0.60170595      9.59059675     -0.79875564
  H     -0.70486752      2.41611447     -3.99582456
  O      1.49225767      7.57436486      0.31594759
  H     -1.35903675      8.25759296     -1.02860851
  H     -1.17285524      1.47083677     -1.97223631
  O     -2.65100378      7.12865751     -0.44321281
  H      1.09620475      9.76123437      3.17082974
  H     -2.51146125      1.99480424     -2.54576235
  O     -2.52664047      7.11234628      2.34840931
  H      1.06705829      9.85135919      4.71735164
  H      0.97697250      2.55690962     -1.65875482
  O     -0.83625733      5.11903486     -0.82622173
  H     -2.28670121      9.00048837      2.54654832
  H      1.14538374      3.05669313     -3.10348952
  O     -2.49097836      3.28063786      0.32988477
  H     -1.12919641      9.79032371      3.19054297
  H     -1.11275853      4.21917720      3.16272483
  O     -0.19412830      1.75797102     -0.32469945
  H      0.80619934      7.87628444     -0.29479142
  H      0.06282360      5.21195657      3.10217130
  O      0.36269862      7.65504617     -3.63642550
  H      1.77392367      6.69174666      0.04009779
  H     -4.96057874      2.62453746     -2.15637643
  O      1.54255072      2.82604921      1.66123652
  H     -2.00302226      6.41325325     -0.55156890
  H     -4.01685242      3.85089533     -2.17919368
  O     -0.12081160      2.95822040     -4.55750616
  H     -2.77188432      7.21838056      0.51013060
  H     -0.76271801      4.61182699     -4.03780949
  O     -1.66562782      1.60086038     -2.79210132
  H     -2.84683236      6.23149389      2.57490109
  H     -0.59054539      6.14349398     -3.72189153
  O      1.56841150      3.05551398     -2.23818075
  H     -1.56342317      7.07095872      2.45015574
  H      1.94775502      4.34815880     -1.06791268
  O     -0.15108869      4.27058986      3.17222302
  H     -0.89276226      5.11960395     -1.79283512
  H      1.90684530      4.26061425      0.47119225
  O     -4.07963046      2.91037963     -1.93119609
  H      0.09472578      5.05453266     -0.58778036
  H     -2.91200039      5.51716329     -3.06065624
  O     -1.14624309      5.36451925     -3.57231583
  H     -3.14767014      3.08415032     -0.35012827
  H     -3.59991544      6.16926937     -1.84737726
  O      1.90687526      4.88808052     -0.26252759
  H     -1.89487656      3.94652547     -0.05090966
  H      0.68199644      7.15841491      1.89064312
  O     -3.73374721      5.51937510     -2.54783128
  H      0.45772902      1.96323065      0.35789799
  H      0.40396616      7.74694507      3.29914461
  O      0.23916170      6.98333557      2.73265997
  H     -1.01258094      2.17035441     -0.01617868
  H     -1.20980917     10.62844166      1.14255696
  O     -0.72829862     11.00602955      0.38449299
  H      1.25256374      7.95944930     -3.79648427
  H     -1.08561026     11.87774380      0.23816132
          69
 Energy    -249.12893781760636     
  O     16.84148272      9.36005476    -17.67537497
  H     15.95023651      9.68129261    -17.50272518
  H     18.92989596      6.60120405    -12.42698856
  O     15.90204888      5.88195796    -12.48353341
  H     17.42592504     10.13238450    -17.75401602
  H     21.80955965      9.57435543    -17.38281517
  O     17.97216506     14.51641048    -13.44977732
  H     16.11361058      5.72459574    -13.41712903
  H     20.66375051      9.33263309    -16.37179956
  O     20.04841982      9.01649875    -14.74510230
  H     16.72330185      6.17469012    -12.07446303
  H     17.12899353      7.56157008    -15.05260151
  O     17.09005740     12.22206216    -10.70904350
  H     18.07388563     13.86100008    -14.15397748
  H     17.18848619      8.80500378    -15.98986488
  O     15.62565526      9.41980773    -13.19171159
  H     17.06996512     14.40088595    -13.12712429
  H     14.63380193     10.83556709    -15.94290837
  O     18.05991646     12.18695284    -15.03847299
  H     20.07837891      9.71709390    -14.08067592
  H     13.62724994     10.65650182    -17.09735663
  O     19.75427296      6.33899410    -13.96249696
  H     19.10660046      8.82482072    -14.88435133
  H     18.01648774      8.60856043    -11.35596209
  O     13.73542803      7.38813437    -13.01111084
  H     17.25473961     11.27277097    -10.76467959
  H     16.90893391      9.49967830    -11.95647711
  O     18.78546604      5.34542196    -16.53538917
  H     17.95156420     12.64484909    -10.81655246
  H     13.88698823      7.38419575    -14.94983538
  O     16.40098484      5.86976120    -15.18585866
  H     14.90944152      8.78323619    -13.07941930
  H     14.20598942      8.30722700    -16.14050072
  O     18.48057994      6.79406753    -11.58554138
  H     16.22835899      9.07249372    -13.86941289
  H     20.18176016     14.05972689    -11.14441575
  O     20.86178952      9.49986395    -17.30946930
  H     18.53716336     11.71559986    -14.34296977
  H     19.05613620     13.92951015    -12.19986709
  O     17.36508439      8.49798549    -15.08957321
  H     17.11950603     11.99861197    -14.92114531
  H     18.92052919     10.46692341    -12.36581130
  O     14.34981643     10.22760953    -16.64405389
  H     19.46010291      5.91337503    -14.77555470
  H     19.70342425     11.80513858    -12.42204561
  O     17.70330198      9.52000007    -11.40140046
  H     20.05485159      7.22132872    -14.21999492
  H     15.97286447     13.08356895    -11.76465436
  O     14.18843576      7.38361146    -15.86765699
  H     14.46034040      6.79246308    -12.74325022
  H     14.80572202     14.08961737    -11.88978796
  O     19.55767579     13.44499068    -11.51949487
  H     12.97453471      7.14951280    -12.48966615
  H     19.66479948      8.15785176    -17.96590439
  O     19.52462171     10.99300029    -12.91026617
  H     19.11531498      4.59211765    -17.01769987
  H     18.13522665      8.07784413    -18.11711130
  O     15.45288763     13.60901241    -12.39920546
  H     18.86455079      6.11340746    -17.12927018
  H     15.35922185     10.94584926    -13.98111678
  O     18.93768656      7.53896024    -18.10418657
  H     15.65639454      6.27570171    -15.65523052
  H     15.22969698     12.48157619    -13.88149876
  O     15.29880981     11.75589562    -14.51366675
  H     17.07830288      5.57529263    -15.80589505
  H     18.55081532     11.74103549    -16.76130483
  O     18.68756272     11.35762108    -17.63934592
  H     18.93810817      6.29027625    -10.91634956
  H     19.51200912     10.85858845    -17.59645637
          69
 Ord_Energy   -249.128708    
 O   -5.18640041       6.46020317       3.16388798    
 H   -5.74562597       6.34340143       2.38700652    
 H   -5.49144697       5.80256033       3.80446124    
 O  -0.146528423       2.35306764       3.53972054    
 H  -0.666405857       3.08739233       3.88888526    
 H  -0.344560385       2.32997370       2.59218979    
 O   -2.15452266       4.21140814       4.41638041    
 H   -2.13906550       5.10936594       4.07166910    
 H   -2.79167032       3.73882008       3.85721588    
 O   -2.65399027      -1.28813374       6.78434944    
 H   -2.59971833     -0.692927957       7.54261398    
 H   -2.16108537     -0.847443104       6.07917643    
 O   -2.85986352      0.272168994      0.306536674    
 H   -2.65460443     -0.383807898     -0.354111791    
 H   -3.77249146      0.569360316      0.138802618    
 O   -4.70957184       3.92297411      0.329305142    
 H   -5.41062164       4.57740450      0.447492003    
 H   -3.86918592       4.39497757      0.269410610    
 O   -5.88460207      -4.69100215E-02   4.32462215    
 H   -5.04028130      -1.83691401E-02   3.84632206    
 H   -5.79270649     -0.720865786       5.01000881    
 O   -2.51215410       6.61329412       2.89857960    
 H   -2.22087002       7.48333740       3.15792513    
 H   -3.48129654       6.59778118       3.00744534    
 O   -3.51827049      0.240514383       3.01573825    
 H   -2.76786780      0.258621961       3.62716770    
 H   -3.18978047      0.113686271       2.11780405    
 O   -5.36990023       1.23565805       5.52019402E-02
 H   -6.04152060       1.08807027      0.730806231    
 H   -5.21967411       2.19123030       2.00629793E-02
 O   -5.28910828      -1.80921507       6.43118429    
 H   -5.46119785      -2.73341894       6.59097910    
 H   -4.32607603      -1.68583930       6.51632643    
 O   -2.93671513       2.48123169       6.47303867    
 H   -2.63444424       3.20380497       5.90790129    
 H   -3.89318419       2.39286232       6.35170555    
 O   -2.75971055      0.845008492       8.68745995    
 H   -2.74436831       1.50731885       7.97598410    
 H   -2.18826842       1.17198873       9.37752342    
 O   -1.58559668      0.520870507       4.93946505    
 H  -0.928651214       1.03938043       4.45032454    
 H   -2.05081511       1.15151358       5.50665092    
 O   -7.78613758       3.66604543       2.47145534    
 H   -7.68988609       2.71867681       2.32246280    
 H   -7.31486368       3.85326624       3.29582739    
 O   -5.68721771       2.02730370       6.24272251    
 H   -5.78037310       1.54430521       7.07565689    
 H   -5.80621958       1.37816215       5.53669739    
 O   -5.98835945       4.16984653       4.54596329    
 H   -6.03420830       3.58398199       5.31134939    
 H   -5.33656454       3.75736237       3.95613098    
 O   -5.57705641      0.311990619       8.39202881    
 H   -5.57322359     -0.478673190       7.83787823    
 H   -4.66041327      0.447261065       8.66407299    
 O   -1.04753447       2.43814707      0.904475331    
 H   -1.66875613       1.75262737      0.631694198    
 H   -1.48622155       3.28429031      0.768230319    
 O   -7.32768917      0.856116533       2.14931726    
 H   -6.88366795      0.524284720       2.94655776    
 H   -8.06745052      0.273047239       1.99177706    
 O   -2.19641685       5.12330675      0.551242471    
 H   -1.60775816       5.59403038      -3.51085290E-02
 H   -2.24795699       5.64268541       1.36865032    
 O   -6.81306839       5.65642357      0.945104480    
 H   -7.25353575       4.94849253       1.45202339    
 H   -7.49451494       6.11718941      0.464027494    
 O   -4.11266613       2.97022724       2.91298652    
 H   -4.33362055       3.24446368       2.01475811    
 H   -3.92134929       2.02438164       2.89890766    
          69
 Energy    -249.12846423575161     
  O     15.04118266     10.71967621    -16.44365593
  H     14.34093075     10.28864051    -15.93029161
  H     16.21954601      4.65826377    -16.34009174
  O     14.26029203      6.75238660    -15.68663472
  H     15.17653360     10.17974677    -17.22791956
  H     20.14270672      6.81573866    -15.35173016
  O     18.57393538      7.80789605    -12.19664907
  H     14.43295951      5.96055935    -16.20816259
  H     19.83017175      6.26909187    -16.77566812
  O     19.34178589      6.66815670    -18.57884438
  H     15.08940873      7.25435485    -15.71075881
  H     18.78057927      8.32613051    -17.96090660
  O     16.66262288      6.33137004    -18.90756710
  H     19.32825919      7.91061848    -12.78771607
  H     17.76681232      8.60189240    -16.81913754
  O     14.76453317      8.49236617     -9.52507071
  H     17.90968559      8.44652387    -12.50199232
  H     17.14764553      6.90400981    -15.32795736
  O     14.47502919      6.16185317    -12.95034716
  H     19.81181814      6.37967254    -19.35638541
  H     16.81326095      8.32057958    -14.72471042
  O     16.66402157      9.41439741    -13.26496397
  H     18.39947865      6.46961737    -18.72982907
  H     13.35320003      8.39100936    -15.24217287
  O     17.47864894      5.03629416    -15.17305552
  H     16.19538670      5.72283729    -18.32215892
  H     13.38731401      9.26532695    -13.97429438
  O     14.14276395      5.75375409    -10.16944144
  H     16.19790361      7.17518752    -18.86476313
  H     15.71236848      5.03386649     -9.86342186
  O     19.36230276     10.46669910    -15.43855841
  H     14.63385610      8.98398125     -8.71873592
  H     16.68882760      4.02473653     -9.20944351
  O     15.50283376      4.57395318    -16.99448788
  H     15.70466438      8.23957907     -9.55033464
  H     21.42011719      8.53053603    -14.04711791
  O     19.90429720      6.02176580    -15.84550944
  H     14.31320680      6.24998121    -13.89825602
  H     20.10788473      9.11482013    -14.61337834
  O     18.26654515      9.02555937    -17.53899360
  H     15.40348415      5.91465289    -12.83956347
  H     17.69720394      6.23812209    -12.38567412
  O     16.84511817      7.79666535    -15.53633746
  H     16.72514498     10.28206726    -13.68334909
  H     17.06455527      5.06074642    -11.59617874
  O     13.22382570      9.29409000    -14.92471539
  H     15.77204131      9.30834505    -12.90775393
  H     17.23005625      6.60659904     -9.58777277
  O     16.64851142      4.77066294     -9.80105032
  H     18.39877854      5.24903488    -15.39504188
  H     17.88485595      7.72182617    -10.42610527
  O     20.50392335      8.32090946    -14.21274401
  H     17.40130953      5.00860051    -14.21002084
  H     15.76890691      9.61631630    -19.58337462
  O     17.16021765      5.43734508    -12.47907425
  H     14.05048752      5.79523303    -11.13099693
  H     16.71594546      9.21934083    -18.42838451
  O     17.32752611      7.56475369     -9.65336186
  H     14.19201355      6.67052122     -9.87055837
  H     14.27009402      8.86713798    -11.29220382
  O     15.80896947      9.12366417    -18.76605761
  H     19.08809112     10.07951447    -16.28212424
  H     14.22029199      7.89182166    -12.48717360
  O     14.16828003      8.83080485    -12.25113228
  H     18.61528934     11.00752972    -15.15777127
  H     16.23545333     11.41325733    -15.42310231
  O     16.88709993     11.73914742    -14.77430432
  H     15.32120117      3.64247775    -17.08692006
  H     16.68111753     12.65601548    -14.61563166
          69
 Energy    -249.12835382800790     
  O     13.48114312      9.54386669    -10.93579333
  H     13.60511883      9.93592262    -10.06195942
  H     12.30870056     15.01532191     -7.34137918
  O     11.60298757      7.12105451    -13.47219654
  H     14.14549884      8.84913490    -11.02383951
  H     10.11419176     11.67632228    -11.56384836
  O     12.98088832     11.42612659    -12.84552344
  H     11.87088268      7.94140155    -13.92679242
  H     11.53564073     12.08705940    -12.03034627
  O     13.79875639     10.61987813     -8.39415146
  H     11.08299477      6.62003451    -14.09511224
  H     12.64012954      8.16921442     -6.06695499
  O     15.35319629      7.47242060    -10.81876903
  H     13.15635627     10.71089983    -12.21328441
  H     11.92813809      8.66016804     -7.35306646
  O     14.38592324     15.34314245    -11.65158862
  H     13.75746631     11.99637631    -12.79573437
  H     10.61451324      8.81045256     -9.17368971
  O     11.14851142      8.11738555    -10.91827500
  H     13.61315816      9.87045730     -7.81572479
  H     10.70010954     10.17694806     -8.44915026
  O     15.34407996     12.78157183    -12.26728523
  H     12.97419824     11.12113466     -8.48219705
  H     12.45250280      6.90233651     -9.73850961
  O     14.92454433     14.35574022     -9.01452372
  H     15.14382523      7.09728587    -11.68872381
  H     13.14406045      7.16941116     -8.39353769
  O     11.82226205     14.90642734    -10.87490815
  H     14.73037553      7.09149696    -10.18333577
  H     16.48940135     11.03534053     -9.96341188
  O     16.52241490     10.42302548    -13.27904490
  H     13.44049901     15.21444224    -11.45476735
  H     15.23074043     11.40072753     -9.15067675
  O     12.36892107     14.41869745     -8.08245894
  H     14.47064872     16.20821843    -12.04283836
  H     12.59006185     10.16358068    -14.15416943
  O     10.79187339     12.35907057    -11.47230407
  H     11.94452136      8.67284474    -10.89445418
  H     13.47225380      9.16844842    -14.92026377
  O     12.78952896      8.39619325     -6.98074089
  H     11.19061024      7.64760797    -11.76270576
  H      9.79968504      9.37242278    -11.37343442
  O     10.57462589      9.22839544     -8.30534942
  H     15.51758453     12.45221697    -11.37338648
  H      8.40100272      9.87376331    -10.99573754
  O     13.23431665      6.68254896     -9.22279576
  H     15.09223207     13.70836893    -12.17314764
  H     15.84184777      8.71629331    -15.82028051
  O     15.93933435     11.78005577     -9.69162929
  H     15.41521638     13.53595309     -9.15070482
  H     15.75029747      9.36933679    -14.42269006
  O     12.55640613      9.34772738    -14.67071811
  H     14.86959755     14.78025589     -9.88016007
  H     18.09659951      9.08095460    -10.45110707
  O      9.17804816     10.10173689    -11.50293409
  H     11.35233361     14.11167227    -11.16140732
  H     16.61788186      8.69248514    -10.67375626
  O     15.30510691      8.75513721    -15.03330816
  H     11.87434674     14.85060804     -9.91330226
  H     14.79906009      7.32192205    -13.92552896
  O     17.24079802      9.43981474    -10.67295810
  H     16.17635315     11.30205848    -13.07819081
  H     13.51935532      6.70612089    -13.32329185
  O     14.48138984      6.68898681    -13.26794062
  H     16.85422141     10.07350226    -12.44408304
  H     11.17973658     12.04847362     -9.72829988
  O     11.38798902     11.90472910     -8.79387913
  H     13.30837709     14.38133296     -8.33745699
  H     11.62027631     12.76862005     -8.42913519
          69
 Energy    -249.12804536983748     
  O     12.40190476     10.32172311    -16.83774822
  H     12.97762572     10.87449204    -16.29935067
  H     15.98093040      4.50020217    -15.81064206
  O     15.40622741      8.18682140    -12.14049975
  H     11.61018047     10.18278951    -16.30197840
  H     18.49520788     11.43164112    -12.99573160
  O     15.37787198     12.46862726    -12.35719265
  H     15.28249992      8.51764380    -13.04442168
  H     18.02859074     10.41844470    -11.93577350
  O     16.53958107     12.14679647    -15.81091783
  H     15.85347225      8.88744040    -11.64560585
  H     16.96719891      8.78833078    -16.87613048
  O     13.39634175      6.88369032    -15.65937915
  H     14.91198420     12.17536377    -13.15019148
  H     17.92379401      9.10338341    -15.67244880
  O     12.88552842     12.64922407    -10.95483186
  H     16.21607179     12.83483437    -12.66820634
  H     14.39146710      8.32506100    -15.06136344
  O     12.72196955      8.72729312    -11.66609787
  H     15.60184784     12.08681265    -15.59597537
  H     15.74313100      9.10698528    -15.23930410
  O     13.95571659     11.54026427    -14.68524903
  H     16.82124351     11.25410016    -16.05838846
  H     10.74805823     10.47537890    -14.20914355
  O     17.09588699      6.51009783    -13.66739976
  H     13.28804195      7.20426111    -16.56490901
  H      9.39633510     10.29913716    -14.93725047
  O     12.65832964     10.21015528     -9.35980642
  H     14.13627612      6.26156322    -15.66384228
  H     15.36439176      9.99359637     -7.52299583
  O     19.04952319      8.47456823    -14.33657782
  H     12.89315298     11.94629527    -10.29443295
  H     14.35428293     10.26926314     -8.64994042
  O     15.77976157      5.43093014    -15.76614490
  H     13.79114795     12.72509173    -11.28349559
  H     12.06305151      7.25091948    -14.42562187
  O     18.65769494     10.54258371    -12.65928502
  H     13.64804112      8.46494724    -11.76009998
  H     10.93851599      8.29156404    -14.25171879
  O     17.21908165      9.46213647    -16.22647316
  H     12.21431245      8.21783449    -12.31564672
  H     17.41887989     12.80518345    -14.46668998
  O     14.93944583      9.03552768    -14.70618062
  H     13.15576941     11.51488216    -14.14346892
  H     18.29663126     13.90338844    -13.81678607
  O     10.30615915     10.01203824    -14.94147253
  H     14.31483482     10.63579078    -14.67174338
  H     16.07404668     11.11026037    -11.33414236
  O     15.29101705     10.33528440     -8.41074302
  H     17.81443602      7.12378783    -13.86428220
  H     16.20354836     10.38455280     -9.96134043
  O     11.42708368      7.60268764    -13.78744828
  H     16.54826489      6.94416070    -13.00055266
  H     15.25033294      7.72273366    -17.99364141
  O     17.81676084     13.10186401    -13.62771455
  H     12.64394658      9.62835454    -10.13875507
  H     16.07823153      6.71315819    -17.16880385
  O     16.51540578     10.38120093    -10.87621997
  H     11.81190804     10.10911390     -8.93080651
  H     12.03986013     11.77045750    -12.28390211
  O     16.15286928      7.47365359    -17.75911369
  H     18.93927805      9.21219171    -13.70884944
  H     12.16377524     10.25627849    -12.55599542
  O     11.83783235     11.08474953    -12.93616802
  H     19.98596763      8.30737448    -14.40128275
  H     13.04932884      8.97523844    -17.74568946
  O     13.37751076      8.15510090    -18.15512860
  H     16.26945585      5.78656713    -15.00256936
  H     12.92990352      8.07055171    -18.99292491
          69
 Energy    -249.12793650645375     
  O     13.29791184      4.14084868    -16.01891484
  H     13.49742843      4.13757984    -15.06669565
  H     19.90357018      5.13277789    -16.87425494
  O     17.78947492      6.70769508    -12.04813278
  H     12.46176729      3.69507352    -16.12797885
  H     19.22188500      8.65376419    -16.55811757
  O     19.18014868      5.82177828    -18.30895065
  H     18.60646208      6.64441496    -12.56430298
  H     18.07614867      9.02700363    -17.53701760
  O     16.48470843      5.51078026    -19.29063784
  H     17.22702532      7.34720218    -12.50923473
  H     17.39905672      7.22626400    -16.41247380
  O     13.69187046      7.02365970    -10.67392294
  H     19.13423667      6.76029890    -18.07266376
  H     15.90914011      6.80168753    -16.15717418
  O     13.95210927      4.38447748    -13.38883354
  H     18.32119295      5.62215856    -18.69748320
  H     15.95869549      4.76319563     -9.84085790
  O     16.20245751      8.28775447    -13.63883402
  H     16.19255865      4.84022037    -18.64768857
  H     16.09602183      3.80447245    -11.03346954
  O     17.60161665      4.13746631    -15.37290828
  H     16.34074919      5.13657329    -20.15658539
  H     13.68098552      5.96219252    -16.27817973
  O     13.04684585      4.19459621    -10.74067538
  H     13.34725492      6.12469322    -10.60521491
  H     13.75867258      7.19412189    -15.34778367
  O     19.89759908      9.31551966    -14.96962020
  H     14.58236508      6.98568971    -10.30468312
  H     20.03460184      6.06588655    -14.54376407
  O     15.73742367      3.69802835    -17.42164199
  H     13.50407597      4.25497637    -12.54344524
  H     19.94345082      7.57080328    -14.20255162
  O     20.23789642      4.80163538    -16.02127369
  H     14.90284690      4.32008151    -13.21404402
  H     17.04312388      5.09037894    -12.53044164
  O     18.69606426      8.32600148    -17.29921209
  H     15.28183300      8.03570510    -13.49352060
  H     17.03204257      4.03212943    -13.65673448
  O     16.81294798      6.73650156    -15.82295977
  H     16.51158634      7.74748715    -14.38325799
  H     16.98002550      6.67524204    -10.47053731
  O     15.67652985      3.89866360    -10.16733946
  H     18.55024491      4.14875230    -15.54620244
  H     16.84296907      7.07836459     -8.98633076
  O     13.98057653      6.87924762    -16.23311140
  H     17.30937275      5.05636777    -15.49291355
  H     15.68173348      7.16844874    -18.79974477
  O     19.87828640      6.68577206    -13.82258149
  H     13.96046881      4.00591946    -10.45734314
  H     14.62583568      7.65610972    -17.77893780
  O     16.64597535      4.25013077    -12.79781598
  H     12.47262214      3.66987791    -10.19005924
  H     13.55549538      7.34946432    -12.46974589
  O     16.40168147      6.61145170     -9.69146438
  H     19.04847919      9.78195064    -14.86555840
  H     13.76868543      6.24367243    -13.49696667
  O     15.24756917      7.95889416    -18.45490704
  H     20.58503687      9.95463071    -14.80169630
  H     17.04690350     10.43230275    -15.78897767
  O     13.65795816      7.20142489    -13.42158700
  H     16.40556699      3.68110608    -16.72274919
  H     16.90834594      9.82072268    -14.37383384
  O     17.43038665     10.43997618    -14.90392253
  H     14.88291239      3.74598069    -16.97794853
  H     16.06804337      9.41335830    -17.97883723
  O     16.61381699     10.16094766    -17.67504595
  H     21.05458052      4.34570175    -16.20616172
  H     16.43472356     10.88640599    -18.26741705
          69
 Energy    -249.12743228957140     
  O     11.69362335      9.97486229    -10.82234956
  H     11.20971327      9.26575171    -11.26461606
  H     14.49170111      6.64919259    -17.47829340
  O     13.69810946      7.00462984    -14.64558077
  H     12.03297471     10.54181467    -11.52516958
  H     16.30272376      5.94485160    -16.50183685
  O     17.79517920     10.85890838    -11.17065442
  H     13.91107133      6.50142969    -15.43969686
  H     17.26354251      6.11480775    -15.30195100
  O     17.47824891      8.67074906    -17.45199893
  H     14.45658062      7.57400075    -14.44361554
  H     15.54235340     11.55321650    -15.32526901
  O     11.77841928      8.96674781    -14.49858326
  H     16.84912839     10.73142954    -11.33626806
  H     14.88760426     12.93177778    -15.56103609
  O     16.17737676      6.90147139     -9.65332061
  H     18.22701750     10.83795478    -12.03185559
  H     15.59429705      9.06874534    -13.03706069
  O     13.16263579      6.29610003    -12.04937613
  H     17.43954944      7.80153964    -17.01250331
  H     16.18406925      9.18541940    -14.46383068
  O     15.16648126     10.15245865    -11.68293304
  H     18.12741704      8.59716886    -18.14660579
  H     19.04596145      8.00122779    -11.59787286
  O     14.68014416      8.24308470    -18.07173192
  H     12.44078246      8.27539206    -14.65421082
  H     18.63864199      7.19475742    -12.84925015
  O     15.57386782      4.95605738    -11.40376241
  H     11.19299940      8.60206597    -13.82601068
  H      9.95049290      7.09575540    -11.98081666
  O     16.99709202     10.51038226    -15.44288489
  H     16.94899508      7.47917810     -9.69541764
  H     11.48980095      7.07933273    -12.08426556
  O     14.47186189      5.78332863    -17.02734281
  H     15.39617582      7.46876973     -9.61250940
  H     19.20017958      9.43236466    -13.33053469
  O     17.17991681      6.26167199    -16.25285328
  H     13.88251515      5.70997378    -11.78572408
  H     20.03726246     10.65147515    -13.78046824
  O     14.70539851     12.04259665    -15.26595016
  H     13.32292467      6.49567980    -12.98471225
  H     16.65669512      5.68510752    -12.80442003
  O     15.78922558      8.56633476    -13.83945915
  H     14.77067370      9.53268615    -11.05569965
  H     16.68938042      7.05210728    -13.53078212
  O     19.23688064      7.88579093    -12.53700512
  H     14.43495581     10.57616728    -12.15270227
  H     19.03021881      8.75047258     -9.12575950
  O     10.70452505      7.63820486    -12.19976430
  H     15.59463977      8.52544783    -17.96560964
  H     18.22573078      9.43338615    -10.25623719
  O     19.14136383     10.33766291    -13.68679505
  H     14.12231903      8.92357772    -17.66580097
  H     12.50613699      9.79928138    -16.09608807
  O     17.16255741      6.21018519    -13.43418014
  H     15.73507215      4.09598195    -11.02496425
  H     13.62380657     10.83542828    -16.30991492
  O     18.45859353      8.57133305     -9.86801958
  H     15.84467133      5.61299965    -10.73504730
  H     13.04910413      8.93114979    -10.16575538
  O     13.14208206     10.12274444    -16.74514287
  H     17.77348330     10.52352292    -14.86526662
  H     13.58152582      7.61646450    -10.77612173
  O     13.79281117      8.31140281    -10.13774481
  H     17.20440466      9.94813389    -16.20271158
  H     12.58924036     10.37294873    -13.63394069
  O     13.03364184     11.09708104    -13.16950932
  H     14.08504705      5.16125808    -17.63650512
  H     13.55285127     11.55954871    -13.83912081
          69
 Energy    -249.12694597932381     
  O     16.66107274     10.47243368    -14.00553852
  H     17.37060760      9.84311352    -14.18996165
  H     15.86899635      4.35960148    -14.36145043
  O     16.11486293      4.51882936    -16.19303586
  H     16.61608050     10.58744532    -13.04711899
  H     12.58624783      7.85326846    -11.72658429
  O     12.38234569      7.37979379    -13.43436488
  H     16.51524480      3.90401045    -16.80225887
  H     12.91387658      9.18719765    -11.03816076
  O     12.88349316      5.95931706     -9.24354554
  H     16.50746662      5.39066122    -16.37668119
  H     15.52042985      7.65161837    -13.79249868
  O     13.28594922      5.10327440    -16.26440437
  H     11.75028620      7.83238143    -14.00928025
  H     15.30581716      9.14345470    -14.09323214
  O     14.83134197     11.19318386    -15.99570467
  H     13.25583166      7.71733177    -13.68378416
  H     19.38455592      8.19708062    -14.29892999
  O     17.10926956      6.99381297    -16.66053373
  H     12.73133478      6.78004183     -9.73280829
  H     17.98669010      7.72606434    -13.82803196
  O     15.54703666      5.70482859     -8.89492635
  H     12.57041662      5.23694133     -9.80105986
  H     11.57042237      9.68547787    -15.11893189
  O     14.79120331      8.52830655    -16.92885493
  H     13.01547926      4.85531899    -15.37105640
  H     11.47714085      8.46794012    -16.08458621
  O     12.46155468      3.65031064    -10.90806730
  H     14.22368146      4.88826580    -16.32547692
  H     13.35068605     11.26451541    -15.06594543
  O     15.18289253      3.54737325    -10.78805942
  H     14.84555792     10.37712855    -16.51345637
  H     12.09226299     12.05406703    -14.64539155
  O     15.60385665      4.46335934    -13.43873207
  H     15.57052043     11.12697897    -15.37585982
  H     12.56164038      4.30014284    -12.66916616
  O     12.87781574      8.23212489    -10.88470647
  H     17.62780762      7.48865720    -16.01736867
  H     12.59873711      5.64489666    -13.45010794
  O     14.88336150      8.27751111    -14.15756149
  H     16.37206763      7.56601684    -16.91673019
  H     11.80437715      7.10135320    -18.20642863
  O     18.44996981      8.31349254    -14.45107066
  H     15.78169510      5.52236135     -7.98906166
  H     12.61242029      6.52773228    -17.02020667
  O     11.08369584      8.87121019    -15.30059718
  H     14.57421733      5.78026111     -8.92541658
  H     13.07288160     10.93958804    -12.67593595
  O     12.55570605     11.23074480    -14.50674342
  H     14.77033283      8.36730886    -15.97258363
  H     14.26887608     10.89902781    -11.69051539
  O     12.83985244      4.70602865    -13.49799428
  H     13.95609090      8.18395460    -17.26850946
  H     16.49307610      5.93086708    -12.98071593
  O     12.30901140      7.35416970    -17.43779690
  H     12.04539457      2.84227925    -10.61903316
  H     16.48564587      7.15897546    -12.00743183
  O     13.31280287     10.80495240    -11.75021024
  H     13.42358335      3.51602291    -10.83026710
  H     16.51596171     11.02470543    -10.49071180
  O     16.87215482      6.80686112    -12.82077182
  H     15.47166700      4.24812347    -10.19131092
  H     16.06848651      9.62164230    -10.95541297
  O     16.20639808     10.53659828    -11.25023107
  H     15.50029577      3.77723838    -11.67122799
  H     14.66737701      8.00445190    -10.73338441
  O     15.62234229      7.90865552    -10.59578710
  H     14.63908289      4.55606471    -13.44467865
  H     15.73621597      7.21089988     -9.93812622
          69
 Energy    -249.12665186904820     
  O     18.18447606     10.90340999    -17.12133383
  H     18.59869073     10.41196659    -17.83941418
  H     17.27848291      5.85202030    -16.32434362
  O     14.90019295      5.97832203    -14.04806232
  H     17.76812848     10.21860192    -16.57523929
  H     16.41106538      5.91985207    -12.83260233
  O     16.90986998     13.01321118    -12.00256148
  H     14.33540294      5.21882567    -14.16895971
  H     17.11477370      6.90520694    -11.88468452
  O     20.71397956      8.17601090    -14.17454267
  H     15.40521106      6.08372906    -14.87152492
  H     16.10942107      9.30472790    -15.39724828
  O     16.36608509      7.86982387    -18.71579036
  H     17.38318313     12.87016213    -12.83048839
  H     17.51141203      9.16967784    -14.70758313
  O     13.87560151     10.93287448    -11.49459454
  H     16.01558391     13.28397818    -12.24681065
  H     16.63619109     11.72415333    -17.76276054
  O     14.35943302      8.57404941    -13.03265870
  H     21.65210299      8.32096778    -14.08278496
  H     15.46391901     12.41631687    -17.05231146
  O     17.96377824     12.14631496    -14.54382353
  H     20.54556991      8.02234708    -15.12223897
  H     15.92181352      8.69848664    -12.06834153
  O     19.49459130      5.60067571    -13.75749475
  H     16.30944465      7.24468600    -17.98225570
  H     16.67483831      9.46597343    -10.94891845
  O     14.39630342      9.93740476    -15.41838129
  H     15.63286010      8.48591359    -18.59785747
  H     14.77774295     10.61172899    -18.21180954
  O     18.91612550      5.02815272    -16.30922056
  H     13.88676764     10.08234698    -11.95052075
  H     13.55189926      9.90390011    -18.83977075
  O     16.48203649      6.39655130    -16.27419420
  H     14.64035390     10.93182442    -10.90486992
  H     16.64306447     11.40965432     -9.26865932
  O     17.20258890      6.03523960    -12.29463993
  H     14.27283737      9.07229869    -13.85912178
  H     16.66873480     11.78239169    -10.77051378
  O     17.00480726      8.95674529    -15.50176125
  H     14.42746629      7.64768856    -13.29484534
  H     19.35049622      9.19764300    -13.53364529
  O     15.72948923     12.03313841    -17.89846818
  H     18.22342894     11.35229382    -14.05029315
  H     18.04557926      9.33276994    -12.65594551
  O     16.74641036      8.72281015    -11.56093395
  H     18.22223178     11.97019790    -15.45664081
  H     13.96240455     12.47822601    -12.30662433
  O     14.27886623      9.77449895    -18.23620968
  H     19.96318960      6.44240840    -13.74687159
  H     13.47783316     13.94361625    -12.43180972
  O     16.39627755     11.09692415    -10.13471123
  H     18.71938587      5.70644387    -13.18538868
  H     19.77897247      8.02014094    -17.50829167
  O     18.56975074      9.73962732    -13.35904001
  H     14.21691448      9.78583112    -16.35439371
  H     19.77227114      6.67704113    -16.74158716
  O     14.15021475     13.33637339    -12.72778374
  H     14.61753030     10.87502665    -15.31742075
  H     16.18598632     12.44170516    -14.91547981
  O     20.16545599      7.55863771    -16.75545380
  H     19.13505971      5.15236547    -15.36594941
  H     14.80195099     12.92165038    -14.39414665
  O     15.25533971     12.54925006    -15.16038531
  H     19.22348434      4.16000144    -16.55327461
  H     19.17149428      8.81713327    -19.86213817
  O     18.89503889      8.87279968    -18.95139247
  H     16.76184646      7.28717382    -16.00396244
  H     17.99158612      8.51123576    -18.91131727
          69
 Energy    -249.12661633837763     
  O     12.32452416     11.71909253    -14.74591048
  H     12.62448726     10.86960036    -15.10026644
  H     15.53538666     11.97596907    -16.23181739
  O     15.62041911      6.66465902    -13.68462332
  H     11.78524362     11.49637372    -13.97912385
  H     16.59117128      9.60835347    -14.61916409
  O     17.81215769     11.00943869    -11.30059228
  H     16.35749495      6.31243244    -13.16998977
  H     15.87231730      8.43836926    -13.87681522
  O     18.11048006     10.19711896    -15.52567064
  H     14.88724700      6.82392174    -13.07268913
  H     11.05379626      9.66218805    -12.92522775
  O     14.44645163      9.26639008     -8.81455859
  H     16.97649343     11.33807694    -11.65734804
  H     10.04914516     10.60444970    -12.21842612
  O     13.63833121      7.41660714    -11.88195352
  H     17.59420426     10.47402069    -10.52833595
  H     17.10083120      7.60600320     -9.55220699
  O     15.39750472     11.60347023    -12.59050827
  H     18.44383093      9.38017713    -15.91947678
  H     17.26418336      6.44090596    -10.56648446
  O     16.31867494      6.93341956    -16.43898777
  H     18.66267882     10.38068468    -14.75425715
  H     12.14876013      7.69420947    -13.02085497
  O     14.20490434      6.44386218     -9.31597019
  H     14.02122643      9.66692722     -9.58617403
  H     12.10950130      8.41528526    -14.37655550
  O     18.91063911      7.63676506    -16.36244179
  H     14.23586794      8.32571833     -8.85356133
  H     18.98150711     10.61599692    -12.47743733
  O     19.46325525      7.57659316    -13.57679204
  H     13.73675436      6.98483395    -11.02441520
  H     20.41473415     10.88945445    -12.99033118
  O     15.96244992     11.38196281    -16.85971425
  H     13.64075361      8.36893836    -11.70848194
  H     18.49703019      6.48474308    -12.66866458
  O     15.82839946      9.38295415    -14.07250546
  H     15.56657870     10.77320402    -13.06788135
  H     18.31052945      5.00262049    -12.26876808
  O     10.94964697     10.54508123    -12.52488549
  H     15.19290916     12.25338094    -13.27198503
  H     17.51596392      9.68661443     -8.19141197
  O     16.86046155      6.68741933     -9.72558123
  H     15.76603925      7.59384621    -16.87410014
  H     16.17708853      9.44724093     -8.92391766
  O     11.55160308      8.14163414    -13.63449097
  H     15.93985523      6.76176281    -15.56698633
  H     15.26641461      9.90999474    -17.50805374
  O     19.62343012     10.39139631    -13.17566362
  H     14.00392429      5.70254572     -8.75222641
  H     14.72155371      9.11750602    -18.72017272
  O     17.89574509      5.86051738    -12.22421896
  H     15.17260340      6.45467622     -9.43742875
  H     14.07481014     10.75986702    -11.66883426
  O     17.14457728      9.44566316     -9.03673769
  H     17.99181620      7.31627926    -16.42349141
  H     12.56375120     10.38829567    -11.59826239
  O     14.88990934      9.05450975    -17.78400694
  H     19.38005029      7.27827567    -17.11013904
  H     13.77026585     12.66002901    -14.85473253
  O     13.43584673     10.16711307    -11.25004831
  H     19.35092099      7.53160912    -14.53466562
  H     14.51017658     14.00119094    -15.07241420
  O     14.65174978     13.07428014    -14.89877283
  H     19.56792194      8.51124189    -13.36158535
  H     13.69206023      9.10373528    -16.35502281
  O     13.38584325      9.23281356    -15.45020049
  H     16.79711349     11.11038538    -16.45262411
  H     14.19139545      9.32244028    -14.92100654
          69
 Energy    -249.12618883411864     
  O     11.75679101     12.18418077    -13.89558604
  H     12.47655793     12.77949103    -13.66197802
  H     14.76534640     12.42735454    -16.56727690
  O     15.51858614      7.03832702    -14.14980879
  H     12.11399592     11.60341072    -14.58498800
  H     15.30538586      8.84353442    -14.26170802
  O     17.24478562     10.01167923    -11.20138951
  H     16.19680270      7.06338233    -13.45715761
  H     14.37211393      9.99532239    -14.75749292
  O     17.30734444     11.30901001    -15.21200866
  H     14.67146688      6.92591041    -13.69797581
  H     10.91925594     10.98381818    -12.98797396
  O     13.76542087      8.08399930     -9.01511597
  H     17.95186010     10.30382309    -11.79028640
  H      9.67297585     10.43555820    -12.24955587
  O     13.24732266      7.03800440    -12.58835315
  H     16.45995659     10.53518237    -11.41966922
  H     16.59685502      6.84924452     -9.43619926
  O     14.94768417     11.30265964    -12.05329858
  H     16.58006502     10.74821928    -14.89450518
  H     15.66712079      5.77901827    -10.04297341
  O     16.71763797      9.79987288    -17.50947148
  H     18.01237099     11.22116784    -14.56332750
  H     11.99052171      7.65214688    -13.92489417
  O     13.75025617      5.63632736    -10.17611943
  H     13.41114963      8.65330599     -9.71350668
  H     11.00304890      8.82332329    -13.84476897
  O     17.16895024      7.23696486    -16.33753209
  H     14.67300955      8.37471266     -8.86588575
  H     20.09192039     10.88354374    -13.11227234
  O     19.05327401      8.12856919    -14.30820863
  H     13.19451916      7.91346506    -12.17731409
  H     19.21396591      9.72245382    -13.63694626
  O     15.16751901     12.96421753    -15.87691452
  H     13.36360674      6.41479912    -11.86099479
  H     17.31271061      8.25501518    -11.87146319
  O     15.19569518      9.80048669    -14.28737224
  H     15.03785614     10.74461060    -12.84438552
  H     17.22046380      6.76288274    -11.45683885
  O     10.55580103     10.20604657    -12.52560472
  H     14.71232367     12.18013944    -12.37614578
  H     16.84886369      9.21540484     -9.61446263
  O     16.59356979      6.03612460     -9.95700800
  H     17.10721943     10.36589237    -16.82929943
  H     17.05607856      9.04952706     -8.09541494
  O     11.44973083      8.23750994    -14.46953726
  H     16.85875914      8.89555005    -17.20481073
  H     14.16496527     11.16323318    -18.81566621
  O     19.18779026     10.59192776    -13.19612953
  H     13.24374335      4.99632385     -9.68305633
  H     15.14358333     10.50325633    -17.81919752
  O     17.42041557      7.35244128    -12.19775673
  H     13.69322925      6.47809299     -9.68702958
  H     13.58541181     10.20242997    -11.47871194
  O     16.55890136      8.71223105     -8.83705805
  H     17.28249701      6.40146360    -16.78492373
  H     12.09051887      9.77382803    -11.60804835
  O     14.28596006     10.95823818    -17.89253039
  H     16.51167765      7.08813699    -15.63740144
  H     14.50619746     13.44079529    -14.32722780
  O     12.95268382      9.50424222    -11.26631598
  H     18.55230133      7.87320507    -15.09023234
  H     14.26952056     14.58263077    -13.31355744
  O     14.17169307     13.64197468    -13.43461974
  H     18.61379415      7.69693561    -13.56056904
  H     13.15707710     10.36721252    -16.51622708
  O     12.84715027     10.30934861    -15.60497772
  H     16.01958900     12.54611097    -15.68595311
  H     12.34871131      9.49444055    -15.44558964
          69
 Energy    -249.12607454675324     
  O     11.34316947      9.18473281    -14.79734541
  H     11.46328916     10.13901909    -14.73037622
  H     15.87323534      6.20650534    -16.40768545
  O     16.94857512      7.28392360    -13.67528993
  H     12.00084234      8.88619709    -15.44123550
  H     20.17781048      8.48055244    -13.18197731
  O     15.90943999     12.35239183    -11.93401478
  H     16.42818263      7.02942877    -12.90087548
  H     19.07514797      9.32652365    -13.85394293
  O     16.44443278     11.73936080    -14.55459268
  H     17.75994198      7.71372370    -13.37898090
  H     14.47910006     11.45548749    -16.93149587
  O     14.06808444      5.67351140    -16.26976415
  H     15.05173822     11.91917248    -12.04571547
  H     15.05112034     12.17183203    -15.69805009
  O     14.99728257      9.10073157     -8.91503516
  H     16.28530713     11.96733221    -11.13430190
  H     15.76141849      8.60526512    -14.11248400
  O     15.22023128      6.67123554    -11.61270144
  H     16.38235842     12.08940734    -13.65356795
  H     14.54257211      8.96881244    -15.01424858
  O     13.63414859     10.81272219    -12.56353009
  H     16.02084648     10.86674511    -14.52969348
  H     11.28681314      8.06538610    -13.47803087
  O     17.50562559      8.86808979    -17.60061359
  H     13.86757124      5.65672700    -15.31538632
  H     10.41000100      7.13088193    -12.61174833
  O     16.81174429      6.90153529     -9.33295814
  H     13.68421736      4.88554400    -16.64402355
  H     17.92129599      9.68567027    -10.18438970
  O     18.62178512     10.21228681    -15.27599784
  H     15.53476938      8.29932066     -8.90829322
  H     18.67643877      8.92231780    -11.30566458
  O     16.73775246      6.62752162    -16.34135564
  H     14.27492271      8.93099811     -9.53411720
  H     14.12179738      5.90029465    -12.94747711
  O     19.26962210      8.75740119    -13.08826062
  H     14.56736749      7.36486006    -11.43990557
  H     12.68388717      6.24865367    -13.37215999
  O     14.26080611     12.10257508    -16.25288048
  H     15.75025168      6.59070234    -10.81002634
  H     16.09639678     10.42329119     -9.30060229
  O     15.12620687      9.30062834    -14.32159993
  H     14.16609844     10.24524436    -13.14463183
  H     16.96796342     11.58445233     -8.77340323
  O     11.31117510      7.40183041    -12.76482949
  H     13.01875992     11.27736758    -13.14232339
  H     14.98694488     10.19316119    -19.05864682
  O     18.34800135      8.84685827    -10.40261052
  H     17.23825269      8.03565804    -17.16812445
  H     15.92116913      9.66777333    -17.94665704
  O     13.46823888      5.75532341    -13.64275773
  H     18.20483462      8.64678823    -18.21078209
  H     12.49362256      8.13258443    -11.49694923
  O     16.79444182     11.05521963     -9.54807512
  H     17.31188025      6.37428879     -8.71681243
  H     13.33620175      9.42296516    -11.49050880
  O     15.02801222     10.00392447    -18.12397737
  H     17.42676045      7.55829165     -9.70954161
  H     12.82966202     12.01779992    -15.24505101
  O     13.22712669      8.56826429    -11.04674576
  H     17.97247071     10.89227100    -15.04310920
  H     11.59078359     12.75418888    -14.68793542
  O     12.07808821     11.93679591    -14.63098678
  H     18.28197497      9.78542184    -16.06925407
  H     13.65920991      7.46058949    -16.49822141
  O     13.46305045      8.40305159    -16.41765805
  H     16.88829058      6.76416716    -15.39418526
  H     13.93633902      8.87786195    -17.11164802
          69
 Energy    -249.12595248933965     
  O     14.48479715     12.35256510    -10.62106758
  H     15.30675180     11.90927559    -10.37519944
  H     13.56048787      5.23597471    -11.16134182
  O     16.97742204      7.80506131     -7.80944514
  H     13.87554913     12.18559158     -9.89147893
  H     14.40757530      8.81751662    -15.07711595
  O     17.36990364      6.72695178    -11.85647422
  H     16.20192101      8.36958875     -7.70142354
  H     14.32110061      7.88074072    -16.30508139
  O     14.09841396      4.95682664     -9.45947781
  H     17.69826587      8.38267961     -8.08839065
  H     10.61941637      9.40927769     -9.71237483
  O     19.67052197      8.04862141    -11.12230033
  H     17.14079634      6.26726652    -11.03792381
  H     11.14438639     10.35378997    -10.80742731
  O     16.88469205      5.57027184     -9.34455681
  H     16.77425354      6.41655821    -12.55518856
  H     15.60903362      9.92585162    -13.63571981
  O     16.54702685     10.66402718     -9.73022438
  H     13.71002328      5.77524695     -9.12072893
  H     14.60180532     11.00259162    -14.08086002
  O     12.83012126     11.58520673     -8.42781582
  H     15.05324889      5.08087960     -9.39834180
  H     19.27507956      9.00694132     -9.69858427
  O     10.73208087      6.63866928    -12.17180997
  H     20.25545962      8.13677850    -11.87082883
  H     19.77738364      9.82914339     -8.48767706
  O     14.68578697      9.49305780     -7.98732209
  H     18.91696044      7.52297830    -11.43607701
  H     11.60343751      9.65942066    -13.25518067
  O     13.68886365      8.36195807    -11.47752516
  H     16.89757851      6.34676349     -8.75756551
  H     12.36059891     10.95871313    -12.81854725
  O     13.31694899      5.64129931    -12.00645763
  H     17.46624438      4.92252901     -8.95360114
  H     12.30300838      8.10489772    -14.80283050
  O     14.01603112      7.98765893    -15.40734226
  H     17.43216664     10.42178987     -9.43356670
  H     10.83615582      8.24241928    -15.26227128
  O     10.92992968     10.30938910     -9.86521912
  H     15.91995029     10.22564861     -9.13573052
  H     10.39541826      7.22588124    -10.54916611
  O     15.08773174     10.23126986    -14.39343982
  H     12.12515251     11.11608316     -8.91021575
  H      9.52106301      7.08502920     -9.28406223
  O     18.98765814      9.51954380     -8.92334372
  H     12.39695591     12.18023379     -7.82167141
  H     14.72997833      5.72209672    -13.17961937
  O     11.82515984     10.21974661    -12.50127523
  H     11.53788485      6.10316354    -12.12698850
  H     15.04539566      6.69961714    -14.31390355
  O     11.40004017      8.28066626    -14.49308177
  H     10.83859401      7.18228515    -12.95896387
  H     13.93087639     12.35422203    -12.25282944
  O     10.27701969      7.54625076     -9.63729447
  H     14.10187627     10.26188647     -7.99100139
  H     13.43678228     13.20099049    -13.44906711
  O     15.45849572      6.07025935    -13.71422673
  H     14.11550895      8.74548450     -8.22185515
  H     13.30663364      7.83632529     -9.82221135
  O     13.57528341     12.30352850    -13.15934271
  H     14.56944295      8.68044470    -11.71020356
  H     12.06128453      7.47927243     -8.99359034
  O     13.02339197      7.52221862     -8.94785361
  H     13.05099119      9.01399090    -11.79070908
  H     16.41651858      9.77624138    -11.29586763
  O     16.24673732      9.26203221    -12.09586136
  H     13.45589533      6.59538105    -11.89634767
  H     16.69205968      8.40955605    -12.00548491
          69
 Energy    -249.12555955242286     
  O     11.47518597     10.71033671    -14.70992769
  H     12.13780965     10.35882042    -15.32238889
  H     16.25935167      6.77398862    -15.02868834
  O     16.02108132      7.20284248    -13.31491332
  H     11.81793877     11.56231793    -14.41970394
  H     18.85594467      8.70696325    -12.94036819
  O     17.39932944     10.75953148    -11.02210053
  H     15.26808188      6.90442429    -12.78854585
  H     19.01109136      8.72791574    -14.48776060
  O     17.28966019     11.30618480    -13.91298426
  H     16.71207558      7.47244769    -12.69367063
  H     15.21506321     12.51603563    -15.99302594
  O     13.54490006      6.93647740    -16.59306629
  H     17.34611797     11.19172736    -11.88089706
  H     16.01011305     12.58227992    -14.67236129
  O     14.29219036      8.94266555     -8.94482255
  H     16.68303678     11.11579526    -10.48375625
  H     14.51809604      9.71711140    -14.65224347
  O     13.90195485      6.59248180    -11.64257107
  H     16.49043619     10.75460310    -13.90629284
  H     15.36495827      8.83598193    -13.67929974
  O     13.75464728     11.23010312    -11.94884210
  H     18.03438507     10.69238257    -13.79874821
  H     10.88322390      9.39955611    -13.75096754
  O     17.65913315     10.62851936    -16.69651250
  H     13.16561010      6.78028370    -15.70887522
  H      9.66511350      8.56579337    -13.28490036
  O     15.88180281      6.83936375     -9.59380430
  H     13.08415057      6.35624740    -17.19332782
  H     17.27637862      7.59617727    -10.70732615
  O     18.66540091      8.02799972    -16.25033366
  H     13.51291598      8.90017463     -9.51405717
  H     17.67462832      9.01081902    -11.19425573
  O     16.33861297      6.70139715    -15.99247521
  H     14.62320464      9.84580626     -9.02168887
  H     11.78465959      7.27295803    -13.86466671
  O     19.09238981      9.26520367    -13.68991751
  H     14.53163271      6.48804999    -10.91831911
  H     12.93486754      6.41531307    -13.30868044
  O     15.22734941     12.92599926    -15.11965117
  H     13.39967780      7.39706869    -11.44658086
  H     14.87614248     12.43804046     -9.19917004
  O     15.02818190      9.72791542    -13.83256612
  H     13.35389907     11.93180094    -12.47495797
  H     14.58387613     11.54997250    -10.43543187
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  H     14.24446757     10.66958497    -12.57159691
  H     15.33508216     11.81601104    -18.46529374
  O     17.77970515      8.06402263    -11.38392201
  H     18.03936789      9.74245835    -16.64972700
  H     16.15955279     11.10488318    -17.36355417
  O     12.46434701      6.63691571    -14.12061101
  H     17.66412571     10.96130442    -15.79128586
  H     12.83234943      9.75545408    -11.37042289
  O     15.08888809     11.60166287     -9.60487056
  H     15.36344805      7.60616582     -9.28940355
  H     11.68837149      8.78337084    -11.70422395
  O     15.26972483     11.42890406    -17.59684217
  H     16.04879595      6.29977811     -8.82519812
  H     12.53376910     13.98350328    -13.85092646
  O     12.42161279      8.92463082    -11.09247373
  H     17.83257047      7.52386069    -16.21881331
  H     13.69171324     13.06362793    -14.30220030
  O     12.84323145     13.08230215    -13.82361551
  H     19.29669034      7.48767222    -16.71754540
  H     13.59377518      8.77922066    -16.49216082
  O     13.57178125      9.70386226    -16.21425316
  H     15.43660359      6.73857268    -16.32559018
  H     14.12175531     10.22925534    -16.80949002
          69
 Energy    -249.12523696039091     
  O     11.13681076      8.60654249     -9.04848078
  H     11.70713018      8.89665699     -8.32672139
  H     10.55417510     10.68952954    -11.62648447
  O     13.27389711      9.33684637    -17.08655191
  H     10.92326535      9.39710455     -9.56191372
  H     12.74117148     12.53782459    -13.40710001
  O     11.93064214      6.74494227    -10.84141726
  H     13.74532676      9.38218592    -17.91361487
  H     13.14533487     11.16098185    -14.05820121
  O     13.96880670      9.48585724    -14.35225031
  H     12.70558000     10.12696472    -17.04003756
  H     16.71741471     11.12696279    -10.53101858
  O     13.24300040     12.09037402     -8.21763523
  H     11.60321593      7.36443281    -10.16437189
  H     16.40138121     10.52538005    -11.93592957
  O     11.59105135     11.43467141    -16.68019667
  H     11.60645080      5.87994201    -10.60582270
  H     15.69738124      8.42990600    -12.00084806
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  H     13.28934264      8.92118809    -13.95521408
  H     15.46266747      9.12186301    -13.35698693
  O     15.43333929      8.86777308     -8.11671084
  H     13.87617996      9.39719379    -15.30916495
  H     13.99102506     13.89165971    -11.80913539
  O     13.70867003     10.64659859    -10.61748088
  H     12.57681670     12.64611541     -8.63991527
  H     12.53714650     13.70691465    -11.32203773
  O     12.89128431      9.66309661     -7.04051581
  H     14.08350795     12.57419983     -8.21976909
  H     14.14450951      8.87341870    -10.60181010
  O     15.80415683     13.98326027    -11.27381517
  H     11.89816966     11.77085539    -15.82587328
  H     13.70854685      7.39521303    -10.68627296
  O     10.95408791     10.84080804    -10.75956531
  H     10.72193672     11.04875257    -16.51754813
  H     11.01317544     10.97793541    -13.60871955
  O     12.48629440     11.86774806    -14.05674904
  H     11.21074962      8.79900857    -13.24485592
  H      9.75965273     10.25934797    -14.17348742
  O     16.34991467     11.33202900    -11.40112172
  H     11.81293473      7.55975081    -12.50783255
  H     16.27769275     12.49453439     -8.49740697
  O     16.13542317      8.95847076    -12.68045103
  H     15.19063788      8.39606173     -8.92559212
  H     15.74278420     13.64370552     -9.38143456
  O     13.09202033     13.71163610    -12.10927704
  H     14.60372819      9.05559732     -7.66309723
  H      9.84125551      9.08250201    -16.03768987
  O     14.48032216      7.96321645    -10.58763007
  H     14.53334568     10.94951639    -11.01605426
  H      8.45597797      9.67579435    -16.39143221
  O     10.27018543     10.40013965    -13.36789879
  H     13.64128687     11.09004936     -9.76131595
  H     18.04171940     10.59909040     -8.43697546
  O     15.67667652     13.25122033     -8.50195324
  H     12.68411197      9.73278079     -6.11169205
  H     16.57106207     10.12546767     -8.48322168
  O      9.27394148      9.86894304    -15.94205769
  H     12.98825016     10.57203743     -7.37436966
  H     11.04498693     12.50595906    -10.14845424
  O     17.17531796     10.83944123     -8.75439814
  H     16.05534645     13.05590475    -11.43341325
  H     10.53334338     13.89858574     -9.70467504
  O     11.32382538     13.37616591     -9.81349906
  H     16.43441387     14.52394623    -11.74344497
  H     11.84791851      8.18317163    -16.50016902
  O     11.06929977      7.82380925    -16.05639893
  H     11.91389065     10.73789455    -10.86304002
  H     11.32726334      7.69913694    -15.13279416
          69
 Energy    -249.12511173618250     
  O     12.48533585      6.09394324    -11.94198192
  H     12.88471643      6.65855229    -11.26520744
  H     14.68587675      6.01380903    -15.18570801
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  H     13.16205318      5.45260876    -12.18810697
  H     16.81058972      6.10594221    -14.50190093
  O     17.54819076      9.14977828    -15.16262254
  H     17.43024787      9.97304338    -13.57960478
  H     17.56883452      7.46445635    -14.43594196
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  H     15.61600740      9.24912406    -12.70415499
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  H     14.60304487      3.39256697    -12.63940865
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  H     15.31740437     12.52058827    -12.08475947
  H     14.86064004      4.57048307    -13.60494056
  O     16.65902451      5.47517910    -17.53251233
  H     15.99328079     13.60567870    -12.95686841
  H     13.29450911      9.69496210    -12.96230220
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  H     16.56391341      6.90200631    -10.08718514
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  H     17.14695207     10.17513387    -10.87092347
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  H     16.52007170      6.34023411    -17.93772509
  H     16.78426527      9.27331904     -9.67213147
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  H     16.07584001      8.45876958    -19.37881608
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  H     11.65325861     10.70276940     -9.88646799
          69
 Energy    -249.12404082341811     
  O     -4.09711649     -0.17983780      2.59482504
  H     -3.91630440      0.49331687      3.26350997
  H     -1.95295471      3.08102153     -0.77625647
  O      0.36206387      3.03306101      3.76723293
  H     -4.11365922      0.29563461      1.74934521
  H     -6.25070660      2.99885332      1.59033830
  O     -1.72066517     -1.37987755      1.83634801
  H     -0.44055199      3.40497706      3.36479556
  H     -6.94316283      2.09953600      0.49642283
  O     -3.24385329      0.96393992     -3.07143767
  H      0.85894412      3.76882949      4.11640522
  H      1.03815939      1.58306226      2.74642346
  O     -1.18820939     -0.87180094     -2.33616478
  H     -1.10703728     -1.45101262      2.57750787
  H      0.86644122      0.70665405      1.47656574
  O     -4.10318058      1.28218385      0.28786050
  H     -2.55145741     -1.02418418      2.18175278
  H     -5.00057850      2.91460591      3.67949126
  O     -7.59830797      0.41026951     -0.09751194
  H     -4.04917005      0.52413424     -2.77238197
  H     -5.15099407      4.27442519      2.96988433
  O     -3.39045363      1.99224533      4.16667256
  H     -2.52138964      0.35285591     -2.87867145
  H     -1.84825856      3.49498568      1.68139672
  O     -2.87008094      3.54245028     -2.31273739
  H     -0.65218934     -1.36866341     -2.94875803
  H     -2.60226815      4.57564643      2.49991965
  O     -5.35086096     -0.26209234     -1.61189502
  H     -1.64385170     -1.52277346     -1.77025029
  H     -4.24797764      6.57635566      2.20953377
  O     -5.20498345     -2.88684302     -0.56539240
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  H     -4.23745609      5.41163123      1.19158122
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  H     -5.58035299     -1.15792280      2.07892000
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  H     -8.43539640      0.26755951     -0.53313396
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  O      1.29480583      0.74459328      2.34106975
  H     -6.90642476      0.19232809     -0.74393197
  H     -0.70839778      0.17728357      4.91188566
  O     -5.62748988      3.46521204      3.19358337
  H     -2.68985325      1.60023029      4.70769550
  H     -0.50177227      1.69699416      4.88414130
  O     -1.95948675      3.85987358      2.57322530
  H     -2.93927834      2.61924862      3.58516221
  H      0.68175580     -0.54629801      3.35293256
  O     -4.04922280      5.64855129      2.11770988
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  H      0.83706976     -1.80405034      4.24334230
  O     -6.27256407     -1.59304691      1.56101431
  H     -2.59644536      4.04347056     -3.07668510
  H     -3.34011504     -2.74504443     -0.59038087
  O     -1.05907873      1.00471673      5.26149318
  H     -5.26661414     -1.19982775     -1.39731904
  H     -2.15036232     -2.28288289      0.28400282
  O      0.19170703     -1.20407222      3.87939238
  H     -4.81672325      0.22491154     -0.96163918
  H     -0.87917004     -0.21262844      0.69764961
  O     -2.39633737     -2.54892268     -0.61280906
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  O     -0.39957543      0.36147411      0.08125787
  H     -5.58547311     -2.50891940      0.24785766
  H     -4.12124693      4.40056511     -1.07784993
  O     -4.66278227      4.80780011     -0.39355832
  H     -1.17508132      1.96127350      0.01969355
  H     -5.36565175      4.17682730     -0.18024601
          69
 Energy    -249.12391679571417     
  O     14.27318337      9.78380709    -10.75222329
  H     14.02632290     10.27944141    -11.54600758
  H     17.78144278      2.88352582    -10.54370191
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  O     16.68618446     10.79205715    -13.05314976
  H     14.51899348     10.43963454    -16.88206361
  H     12.19489746      7.52255396    -10.89615941
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  H     13.27405109      9.91752664    -16.11106807
  H     13.05202119     13.57160892    -15.45233689
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  H     13.57570995     12.15200984    -15.78804193
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  H     16.90699858     10.68985064    -12.12000021
  H     13.72506415      8.19612305    -14.79185688
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  H     12.38490983      8.21956464    -14.02671307
  O     13.88153319     10.91138936    -13.21173635
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  H     16.04133862      7.64697646     -8.71505469
  H     10.75183205      6.77134632    -12.76972550
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  H     16.72114780     12.10854256    -14.44890353
  H     12.20456511      6.24673720    -12.78674962
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  H     13.65549916      7.03397797     -8.93965970
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  H     15.25928406      6.65131175    -11.52863792
  H     14.04119638      6.50660177     -7.53698321
  O     13.67551784     12.90546775    -15.17727240
  H     15.04737451      8.19825252    -11.54576246
  H     15.77541228      4.56234353    -10.57699150
  O     12.92704209      8.72581309    -14.64464181
  H     13.73433203     11.69600325    -13.75229877
  H     14.78031233      5.46719782     -9.77718336
  O     16.46463374     10.53911303    -17.11339473
  H     13.51829550     10.15913385    -13.70101142
  H     18.61982833      6.65616924    -11.10229947
  O     11.66250096      7.05442900    -12.72869190
  H     18.14024684      7.72404922    -13.65387239
  H     18.25502603      5.42310268    -10.25940217
  O     14.37742331      6.63598065     -8.41971674
  H     17.21464834      7.32790555    -12.48890730
  H     15.22160616      7.29632929    -13.76349643
  O     14.95486639      5.06775979    -10.63926280
  H     16.74269878      4.38818115    -13.89322836
  H     16.03375917      7.81593925    -14.96848273
  O     18.54240768      6.34103270    -10.19239253
  H     17.79505540      5.35093863    -13.28774329
  H     17.36685025     11.11824226     -9.65838842
  O     15.25902949      7.28913736    -14.73478905
  H     15.03358835      4.25009056    -15.82436061
  H     16.97359198      9.62793565     -9.76005963
  O     16.94362358     10.48257731    -10.22933615
  H     15.18124066      5.54199181    -14.98585739
  H     17.25834954      9.41692711    -15.81922061
  O     17.46171976      8.96028938    -14.99413537
  H     17.48811592      3.89503180    -11.68005531
  H     17.25881871      9.58993793    -14.28434147
          69
 Energy    -249.12376132409855     
  O     10.95510271     12.52817782    -11.19112170
  H     10.24847708     12.88285335    -10.65825496
  H     14.00237077     13.26218513     -9.98930255
  O     15.07495378     10.48796973    -12.75920992
  H     11.76915518     12.60372794    -10.66193121
  H     11.79882149     11.72352756    -18.25446464
  O     18.03727124     11.66876440    -14.64577616
  H     14.86169306     11.43024383    -12.77956961
  H     12.06340086     11.43547544    -16.76031454
  O     15.28952263      6.98102205    -12.09201223
  H     16.01888761     10.41828979    -12.57127299
  H     15.60289692     12.36873381    -15.96300397
  O     12.06876188     13.18682339    -13.69385234
  H     17.41569799     12.36338771    -14.89357584
  H     14.99390838     13.75395869    -15.76072638
  O     13.23454048     14.19316505    -16.11492859
  H     18.02656541     11.04099210    -15.37847648
  H     16.70365609     10.18901244    -16.97574020
  O     15.03785864     10.82326450    -16.91774968
  H     14.96790770      6.74339121    -12.97070751
  H     18.06234739      9.90790823    -17.65703498
  O     14.50858840     10.23903298     -8.99937995
  H     14.60675050      7.53708492    -11.69579502
  H     16.15465276     14.78736655    -10.14173145
  O     14.70067074     13.18757566    -12.97448559
  H     11.55198365     13.08016243    -12.88669855
  H     16.18349872     13.24438134    -10.28000829
  O     13.95750463      9.29432051    -14.93137909
  H     12.99472175     13.22109532    -13.40644174
  H     17.40524628      8.26288884    -15.80578422
  O     17.88423518      7.65813536    -12.53310044
  H     12.94110762     13.51677430    -16.73709380
  H     17.57887859      7.58519490    -14.41807707
  O     13.25726166     12.69563891     -9.75991933
  H     12.71518847     14.03890295    -15.31503571
  H     16.13802480     11.11268902     -9.56847874
  O     12.45446647     11.81135298    -17.56735558
  H     14.69925264     10.22839774    -16.22979712
  H     17.26270211     11.24583035    -10.63257354
  O     15.76401588     13.21462055    -15.52439270
  H     14.25630502     11.19160745    -17.34527867
  H     11.80927655     11.63029276    -14.60844797
  O     17.60208478      9.85095322    -16.82284151
  H     14.41695383      9.73925649     -8.19204573
  H     12.42212610     10.24230942    -15.00711864
  O     15.69985323     14.05051097    -10.53910501
  H     14.10523123      9.70588899     -9.70495205
  H     15.60176803      6.84776298    -15.09162806
  O     17.20570311      7.46601985    -15.30054538
  H     15.14060715     13.61741223    -12.23123076
  H     14.47283395      5.81606399    -15.35199737
  O     16.83536113     11.69622785     -9.89075083
  H     15.21683408     13.29940949    -13.78465153
  H     10.99736492     10.76053969    -11.89635258
  O     11.64688753     10.81526577    -15.10811456
  H     14.39625194      9.66979603    -14.15276380
  H     11.11279870     10.05887157    -13.25812496
  O     14.68737392      6.60187288    -14.85742615
  H     14.09608487      8.34057135    -14.91885585
  H     17.95579844      9.49379352    -12.31519622
  O     11.13387385      9.89779241    -12.30963564
  H     18.45759086      7.03279927    -12.09717477
  H     17.98872952     10.88961360    -13.03595187
  O     17.78399380     10.43708261    -12.20286477
  H     16.97091132      7.41073523    -12.30001626
  H     12.58795145      9.14109339    -11.50671259
  O     13.47957414      8.95534989    -11.18151333
  H     13.64244658     11.87747788     -9.42276034
  H     14.06897193      9.51223654    -11.71631536
          69
 Energy    -249.12316888175781     
  O     12.11683886      9.40006880    -10.89516872
  H     12.22991644      8.77354666    -11.61886452
  H     13.39095311     13.15814364     -7.75921398
  O     12.40474184      7.45502560    -12.90707648
  H     11.53175278     10.10889517    -11.19265471
  H     10.47215944     13.05035190     -8.88361145
  O      9.09535347      9.67406892    -13.10014175
  H     11.90929103      7.80647255    -13.65904341
  H     10.42151646     11.95388397     -9.97683171
  O     14.49982108     10.24677067     -9.90422378
  H     11.83507508      6.84394436    -12.42346488
  H     11.88801926      8.88930628     -9.14721922
  O     15.44817570      7.57747450     -9.90649492
  H      9.69380544      9.30833444    -13.76350205
  H     12.25722731      9.47167149     -7.77334183
  O     12.29569002     15.13552802    -11.30394660
  H      8.98074650      9.00157319    -12.41828816
  H     12.65036616      7.11771532     -8.72370557
  O      8.71606749      7.87547582    -10.85281395
  H     14.98667524      9.42367899     -9.78373982
  H     12.33140367      6.20870487     -9.91799137
  O     12.52036688     12.93795994    -12.92578009
  H     13.66295432      9.98730382    -10.32425772
  H     15.30727101     11.63855158    -12.58345629
  O     14.95084314     14.48788654    -10.35921818
  H     14.61078674      7.12437418     -9.70360422
  H     14.89580721     11.49887836    -11.09829507
  O     10.98555068     14.85421940     -8.74616283
  H     16.13471728      7.09372711     -9.45494248
  H     10.89694588      8.62358511    -15.87272842
  O     15.11848872      8.05471361    -12.70462038
  H     13.20142895     15.06839467    -10.97621654
  H     11.68597643      9.55061063    -14.91671811
  O     13.46575410     14.10655004     -7.93033422
  H     11.73435878     15.09406492    -10.52064709
  H      9.93452605     11.00701394    -12.25777079
  O     10.43704870     12.09595373     -9.01732403
  H      8.89803396      8.49623932    -10.12434585
  H     11.13929699     12.03039111    -12.20149246
  O     11.87137090      8.69484075     -8.19481464
  H      7.78416172      7.67462882    -10.80255080
  H     10.04152799      9.11048430     -8.36455737
  O     13.03531855      6.44565897     -9.30587805
  H     12.33220162     13.78530827    -12.49558022
  H      9.47058750     10.45991489     -8.79763829
  O     15.01169637     12.14151198    -11.81456716
  H     13.35614666     12.63462565    -12.54671747
  H     12.61109224     11.64218741    -14.26830075
  O     11.07491514      8.79089617    -14.95126600
  H     15.05261015     13.68566345    -10.89656378
  H     13.75247768     10.65856314    -14.57920047
  O     10.51695063     11.51288290    -11.67396350
  H     15.75065222     14.99557675    -10.47463101
  H     16.26757819     10.30573199    -14.56239412
  O      9.26432707      9.51700288     -8.77073444
  H     11.86698335     14.65730536     -8.37981254
  H     15.42999799      9.54561575    -13.50547412
  O     12.81944537     10.83187421    -14.75146953
  H     10.61378531     15.54955224     -8.21017823
  H     10.05803444      6.65717528    -11.00709801
  O     15.53915728     10.40364229    -13.95513942
  H     15.32826585      7.86186443    -11.78367329
  H     10.36910845      5.15103006    -11.14455408
  O     10.77367349      6.01562793    -11.14363237
  H     14.20995721      7.75141542    -12.83989613
  H     12.06679715     11.55988287     -8.27965946
  O     12.90214170     11.32883149     -7.84406346
  H     14.06125424     14.20621725     -8.68320993
  H     13.51838085     11.02320044     -8.52471666
          69
 Energy    -249.12308771028140     
  O     13.98105514     11.57377048     -8.61112233
  H     14.02542573     11.57348623     -7.65902461
  H     10.43028653     13.64207039    -13.29374546
  O     11.05812991     11.51659758    -15.23453619
  H     14.63851036     12.22127275     -8.92545461
  H     12.76920058     13.60240170    -11.35573247
  O     14.41054473      9.37524582    -10.40359224
  H     11.11906122     12.36100228    -14.76149420
  H     13.79999314     14.77222184    -11.62273075
  O     18.81508019     13.10518147    -13.39177612
  H     11.13378585     11.72326367    -16.17409640
  H     12.11000412     14.50565012    -15.42790044
  O     12.02470591     12.15688641    -10.52667992
  H     13.59341761      9.37554420    -10.91780192
  H     12.32609750     13.95068999    -16.84157635
  O     12.17604352      9.79266641    -12.09048069
  H     14.30523998     10.06160166     -9.73381528
  H     15.50014031     12.15901760    -12.69065694
  O     13.49021595     10.29271575    -14.55257295
  H     18.44956217     12.63716790    -14.16629903
  H     14.16196004     12.96477297    -12.77851069
  O     15.37916328     15.65050326    -11.19832315
  H     19.75342970     13.18899514    -13.53359836
  H     17.13049264     11.04505043    -15.18741179
  O      9.65367111     10.10440785    -13.32483104
  H     12.58399792     11.98929758     -9.75779695
  H     16.85321909     12.48982539    -15.68624040
  O     15.26216618     13.64984945    -15.57751690
  H     12.10262251     11.37366149    -11.08924166
  H     11.53766209     12.27925511    -18.75506848
  O     14.21543606     11.45584756    -17.13803555
  H     12.69651633      9.84326970    -12.90283421
  H     12.64057892     11.98241265    -17.70960407
  O     11.13584525     13.93779798    -13.88693421
  H     11.25527066      9.74030778    -12.37520410
  H     17.22260216      8.35491735    -11.39965185
  O     13.12570850     14.20982780    -12.02104623
  H     12.64464118     10.66078772    -14.84505837
  H     15.90153223      9.14764267    -11.25424939
  O     12.71683422     14.53183735    -16.17905635
  H     13.95312392     11.00448093    -14.07589970
  H     16.46386058      9.31822208    -13.62295118
  O     14.71143224     12.30846329    -13.22618571
  H     15.88065947     15.48001356    -12.01548760
  H     15.30275931      9.55575702    -14.59750914
  O     17.55309025     11.88730902    -15.41222471
  H     15.49055513     16.57600041    -10.99753319
  H     17.72817735     12.24301588    -12.18856685
  O     11.73954788     12.33441996    -17.82526056
  H     10.06572223     10.54992953    -14.08469961
  H     17.06462835     10.91322264    -11.68149068
  O     16.74020131      9.09977029    -11.74824095
  H      8.94498281      9.56764815    -13.67045654
  H      9.43017164     11.78600951    -12.32227172
  O     16.26447559      9.55343297    -14.53777353
  H     15.09651956     13.17465969    -14.74764632
  H     10.28868082     12.56921456    -11.31677737
  O     17.00548843     11.87690409    -11.66273763
  H     14.43027237     14.08734862    -15.81549956
  H     16.27393852     14.80925345    -14.29632442
  O      9.58370962     12.67026285    -11.96964013
  H     14.10728444     10.85088091    -16.39624131
  H     17.51520992     14.51544861    -13.43555769
  O     16.73741244     15.08375713    -13.49732390
  H     14.65806875     12.22793676    -16.76406361
  H     15.66924530     14.16479114    -10.03416295
  O     15.77761267     13.29465226     -9.63525891
  H     11.87516913     14.15432800    -13.30013013
  H     16.28798748     12.77823484    -10.27625874
          69
 Energy    -249.12236039664216     
  O     -3.87050325      0.30168249     -0.41137268
  H     -4.05457892      0.26236319      0.54318192
  H      1.45241291     -1.75616326      3.86214392
  O     -3.61788755     -0.62550847      6.68312401
  H     -4.33811203      1.06143151     -0.74886673
  H     -1.11110434     -1.59556470      0.77012894
  O     -1.66805817      0.33214806      3.20931907
  H     -2.73235534     -0.77334774      6.31180514
  H     -1.32012124     -1.16658775      2.24254561
  O     -4.23072162      0.00952410      2.27320108
  H     -3.49262642     -0.16935525      7.51182582
  H     -2.11672140     -3.33789171      1.99407024
  O     -4.36081917     -3.34321028      6.14199061
  H     -1.56255091     -0.14536708      4.04524296
  H     -3.57647669     -3.78848954      2.15292599
  O     -1.24596377     -1.26056124      5.43960583
  H     -0.82052691      0.74439551      2.99739711
  H      1.80946962     -3.04187504      1.75983802
  O      0.51133397     -5.20507915      4.39966169
  H     -3.33561930      0.20048926      2.58799250
  H      0.40174193     -2.68206818      2.27472045
  O     -6.40577477     -3.00834999      4.39987331
  H     -4.80465796      0.04282923      3.05275593
  H     -4.72878685     -1.80296904      2.06919108
  O     -1.27633846     -0.75021876     -0.87392811
  H     -4.16839638     -2.45964504      6.47874023
  H     -5.61324746     -2.88786632      2.72486661
  O      0.27888673     -4.22383394     -0.86798908
  H     -3.51898707     -3.68543253      5.81245554
  H      1.64335570     -3.26376674     -0.39288611
  O     -0.32883504     -5.48445649      1.58190212
  H     -1.46884004     -2.18788357      5.27090929
  H      3.17173158     -3.02511924     -0.44422600
  O      1.29821504     -0.99316381      4.43170273
  H     -0.30059351     -1.15873981      5.25615206
  H      1.08741268      0.70168611      1.66509912
  O     -1.10968713     -1.92100420      1.67826666
  H      0.24134883     -5.78317916      3.67820997
  H      1.39055607      1.96297858      2.50639869
  O     -2.66699309     -4.09275652      2.25694527
  H      0.95675609     -4.46789680      3.96197054
  H      1.72916155     -0.94720980      0.05817302
  O      1.22279692     -3.13823590      2.52050800
  H     -5.69483904     -3.21542743      5.03315253
  H      0.43522792     -0.21070461     -0.34031413
  O     -5.05156882     -2.70834435      1.96042721
  H     -7.18645275     -3.46309487      4.70381574
  H     -2.31153849     -3.43271600     -2.94688452
  O      2.37203045     -2.74173109     -0.00926691
  H     -1.46568599     -1.53108755     -1.41059171
  H     -2.92778327     -3.04988575     -1.58339764
  O      0.93703472      1.12454493      2.52934146
  H     -2.11490382     -0.28559633     -0.75421069
  H     -4.96429109     -0.28624150      5.34278777
  O      1.27131129     -0.10118564      0.13231473
  H      0.01957400     -4.81449625     -0.14835197
  H     -6.01637072     -1.11882084      4.58553638
  O     -2.08598333     -3.17521695     -2.05638756
  H     -0.53750272     -3.93426508     -1.29080433
  H     -2.24238050     -4.00400074      4.02073734
  O     -5.60143824     -0.24804308      4.61850771
  H     -1.23253298     -5.19613633      1.77761082
  H     -1.07412341     -4.41392053      4.94303436
  O     -1.89743415     -3.90929723      4.91991467
  H      0.24214997     -4.77793306      1.91064172
  H     -4.32313917     -1.53409119     -0.77033543
  O     -4.37838569     -2.49779347     -0.77657819
  H      1.30246582     -0.22865232      3.84197886
  H     -4.71785964     -2.73833579      0.09445362
          69
 Energy    -249.12209973895756     
  O     19.66271021     11.09167056    -10.88287065
  H     19.29752346     11.14681560     -9.99081539
  H     18.60430871     11.10578737    -12.38635672
  O     18.83013769      6.85733011     -9.38192322
  H     20.60298621     11.31060914    -10.84259667
  H     22.56012423     10.55626047    -10.30735775
  O     20.78481297      5.29897940    -13.05976692
  H     19.22079057      7.37345650    -10.10694946
  H     23.07826323     11.97237287    -10.65952455
  O     22.61855858      9.20751145     -9.25806282
  H     18.16150906      6.26455224     -9.76453397
  H     19.26118714      7.71487325    -12.93633597
  O     16.91643239      5.44404386    -10.62287801
  H     20.75485526      4.52671391    -13.61913442
  H     19.33993720      8.07064276    -14.42537159
  O     22.49198130      7.46910346    -12.38636831
  H     20.13845744      5.92837066    -13.42005860
  H     20.88187090      5.14637946    -11.09905018
  O     20.29680394      8.76486643     -7.81740962
  H     21.83925123      9.07151465     -8.69886581
  H     20.30313465      5.64079985     -9.75751143
  O     14.26778904      7.95020091     -9.13509618
  H     23.00234609      8.33567057     -9.39760193
  H     14.65831179      6.38241979    -12.82356898
  O     23.44395463      6.55817533     -9.91053415
  H     16.02976540      5.25798123    -10.29307473
  H     13.48818160      7.21708763    -12.27477138
  O     19.92414699      8.34820262    -11.39525959
  H     16.79236384      5.86667372    -11.48341494
  H     16.42766963      9.28792837    -11.00124109
  O     18.43018541     10.90001329     -8.36472398
  H     22.97735101      7.19980966    -11.59607058
  H     16.73135329      9.96820110    -12.38256437
  O     18.02961961     10.88204254    -13.13222335
  H     22.04772629      6.67911681    -12.71905282
  H     16.32552536      7.75692366    -12.65225360
  O     22.43692357     11.31358669    -10.91026621
  H     19.80000078      8.01519819     -8.16733355
  H     17.32347353      6.92354462    -13.47571960
  O     19.11156023      7.35134218    -13.82441239
  H     19.70228122      9.52248041     -7.86797084
  H     22.39776020      9.11369419    -13.18777188
  O     21.08135920      5.23783855    -10.15950412
  H     14.20593085      6.99711798     -9.27818296
  H     22.28502486     10.55837719    -12.67675281
  O     13.76955221      6.30976096    -12.44904898
  H     13.82478616      8.35491506     -9.89112787
  H     15.92661018      8.55646125     -9.07795054
  O     16.10607315      9.40328379    -11.90473479
  H     24.12244700      6.00681111     -9.53113187
  H     17.42538382      8.12947794     -9.21314265
  O     16.47641904      6.87250887    -13.01793233
  H     22.62092861      6.03694301     -9.90507478
  H     12.89084616      9.78370160    -11.94894532
  O     22.14535176     10.00882762    -13.45612297
  H     20.85389451      8.17032655    -11.58319589
  H     14.34090547      9.26497827    -11.81567753
  O     16.82633168      8.88526433     -9.22812180
  H     19.83062511      9.29625319    -11.23745945
  H     20.73252671      9.89840115    -14.47497285
  O     13.40773604      9.03612493    -11.66077040
  H     17.76503161     10.23992189     -8.62883598
  H     20.09933907     10.13859983    -15.86474291
  O     19.92490363      9.76752718    -15.00402588
  H     18.00903217     11.48025181     -7.73604082
  H     13.94425821      5.53095380    -10.88116767
  O     14.15183783      5.22865341     -9.97845073
  H     18.61094102     10.55323532    -13.82672804
  H     13.57783591      4.48989450     -9.79608367
          69
 Energy    -249.12199508764354     
  O     11.19756890      8.52297101    -14.80537748
  H     11.04775946      8.25649203    -13.88063755
  H     13.80153015      6.13839806    -15.57638455
  O     16.08692793      5.67756089    -13.31125483
  H     10.37730990      8.89397592    -15.11978590
  H     19.71049593      8.22657985    -13.53775245
  O     17.97350234      8.19962198    -10.47852234
  H     16.23764407      6.60799393    -13.07798713
  H     19.29735689      8.10202193    -15.03309562
  O     16.67950252      9.99236997    -14.96020088
  H     16.92605157      5.33478356    -13.64155452
  H     17.37462319     11.58431678    -12.32222806
  O     12.08152479      5.78485459    -15.20816107
  H     18.80951541      8.53443624    -10.82028154
  H     17.62353750     10.98342619    -13.71364441
  O     14.40436060      8.63740281     -8.23252209
  H     17.38977592      8.19697288    -11.25323248
  H     15.59296207      8.81042457    -12.43381530
  O     14.27802617      5.59085172    -11.25613053
  H     15.74914230      9.82580116    -15.15389049
  H     16.70171374      8.80678788    -13.48834820
  O     15.78562710     11.90898443    -11.32939175
  H     17.21591798      9.59193588    -15.65746555
  H     11.05421604      6.61599351    -12.33110855
  O     17.21701283      6.28410248    -16.78609464
  H     11.99678613      5.41024412    -14.32265535
  H     11.53042031      7.88146288    -11.61657699
  O     15.98122822      6.45993791     -9.28137396
  H     11.68386380      6.66303629    -15.16581269
  H     11.57683969      4.04938290    -12.16291040
  O     18.42887906      8.68626736    -16.67542025
  H     15.10947602      9.24762132     -8.51701576
  H     12.72308846      5.06810172    -11.99341858
  O     14.70725985      6.47981670    -15.57894286
  H     14.20573941      8.84667071     -7.32430708
  H     20.76075238      9.91328410    -11.95662211
  O     19.54808500      7.59751730    -14.25021654
  H     14.85230573      5.74910866    -10.49186434
  H     19.29662906     10.16236907    -12.38432545
  O     18.07592231     11.29210965    -12.91638621
  H     14.87344279      5.50050790    -12.01427487
  H     19.22658965      4.44673140    -14.43162023
  O     16.37831328      8.32625432    -12.71599749
  H     15.35106541     12.75778048    -11.30191993
  H     18.95699180      5.96983777    -14.35552231
  O     10.90153160      7.56818672    -12.27980728
  H     15.15397369     11.28360035    -11.72506969
  H     17.04926346      9.53859116     -9.56458057
  O     11.88980882      4.89923209    -12.46331600
  H     16.28594557      6.33062516    -16.52632372
  H     16.25132308     10.83421729     -9.84782411
  O     19.93377765      9.47083597    -12.12914647
  H     17.65436418      5.73598290    -16.12338170
  H     12.98426645      9.03916365    -15.05271427
  O     18.53879872      5.10219034    -14.50645114
  H     16.77250534      6.91415769     -9.59594183
  H     14.27393330      8.21622057    -15.21972539
  O     16.41306195     10.15717066     -9.18050167
  H     15.48177216      7.11891299     -8.78399669
  H     13.44442891      8.31313071     -9.77340659
  O     13.94722795      9.10545849    -15.01601064
  H     17.99267398      7.82370149    -16.80236546
  H     13.51552127      7.24956076    -10.90088019
  O     13.11918296      8.09777494    -10.65685207
  H     18.85224354      8.90720530    -17.50012019
  H     13.99660804      9.71646333    -13.27943778
  O     14.14699597      9.98340866    -12.36220821
  H     15.13995320      6.12956753    -14.78758027
  H     13.67712524      9.37157373    -11.77757816
          69
 Energy    -249.12164605648042     
  O     13.07698695      4.37701337    -16.04365598
  H     13.38112150      5.24292178    -16.36997535
  H     19.68686056      4.00418142    -16.63526718
  O     18.01329773      5.76047110    -12.00551623
  H     12.16564347      4.28538590    -16.31021929
  H     18.37400695      7.99601087    -17.76039070
  O     19.16014819      4.76716586    -18.08224207
  H     17.59102403      6.49238494    -12.47503770
  H     19.11804002      7.80177093    -16.38937992
  O     16.62310940      4.32187979    -19.33060917
  H     18.85085670      5.60680507    -12.46606119
  H     17.39306494      6.46916505    -16.39636340
  O     14.25254686      7.14910852     -9.95091899
  H     18.33564230      4.58924950    -18.54983832
  H     16.84933065      5.18057721    -15.69146174
  O     13.97622550      4.92546240    -13.42029147
  H     19.15465783      5.71309396    -17.87511058
  H     13.40668495      9.72029147    -15.03115356
  O     16.89917759      7.72963499    -13.63940016
  H     16.54477090      3.79543194    -20.12251926
  H     13.60263761      8.45191190    -14.18405512
  O     17.14995125      3.40351363    -15.28282913
  H     16.11873389      3.85800471    -18.63909272
  H     14.47041710      3.52030099    -10.28039356
  O     13.15775318      4.59930889    -10.74152941
  H     14.09163090      7.65988109     -9.16231434
  H     15.09250491      2.29126166     -9.57295930
  O     19.42868481      8.31292929    -14.60044385
  H     15.08578564      6.66482843     -9.80678509
  H     13.84100643      7.50716956    -16.25573985
  O     15.29995362      3.07794920    -17.31612029
  H     13.65063444      4.65739329    -14.28725059
  H     15.05912064      6.54975215    -16.44973926
  O     19.89675537      3.62346678    -15.76253193
  H     14.80525878      4.45718412    -13.25126139
  H     20.11438722      4.97243906    -14.43339064
  O     18.80261866      7.34879589    -17.17951031
  H     16.79098353      7.15323224    -14.41327290
  H     20.05805685      6.48651092    -14.11309468
  O     16.68224355      6.11900192    -15.84228069
  H     16.01612603      7.84855993    -13.26972238
  H     16.05172245      3.26795523    -11.82544451
  O     13.34723638      8.76847310    -15.06435405
  H     18.11093868      3.36222370    -15.36628181
  H     16.96780915      4.36403813    -12.42806804
  O     15.30435007      3.04359847    -10.11829716
  H     16.92122860      3.34057785    -14.34565871
  H     17.14131023      5.72163384    -10.36591545
  O     14.16498180      6.75276372    -16.76684815
  H     13.35570601      5.48002728    -10.40027930
  H     16.19934025      4.71529588     -9.67468326
  O     20.14716018      5.61398364    -13.71320936
  H     13.25199489      4.66676238    -11.70186795
  H     14.92249002      6.92881738    -18.47939804
  O     16.35870902      3.64593672    -12.65797033
  H     18.54632911      8.24268696    -14.19973868
  H     15.90307810      6.07794008    -19.31460866
  O     16.48656990      5.63617474     -9.65923905
  H     19.84511651      9.07867398    -14.21236897
  H     14.22307953      7.57673051    -11.75756613
  O     15.52984107      6.96403885    -19.22962889
  H     15.95209771      3.04661725    -16.60099707
  H     14.15140924      6.67409428    -13.01487979
  O     14.27644034      7.58991856    -12.72073773
  H     14.48815247      3.41004423    -16.91741898
  H     16.68466116      8.28060859    -19.05616325
  O     17.37588901      8.94022887    -18.86978308
  H     20.58051791      2.97385188    -15.90204509
  H     17.41445394      9.50496971    -19.63648881
          69
 Energy    -249.12160758189219     
  O     13.27317233      2.96052900    -11.73786265
  H     13.05167352      2.02148910    -11.72807052
  H     19.61599535      4.72538128    -15.13978627
  O     12.51561336      4.00588453    -14.22551367
  H     13.02661785      3.29365144    -12.61347707
  H     14.55591735      9.56439955    -10.34341861
  O     16.09716602      2.82593496    -11.56748986
  H     12.02785099      4.80223916    -13.98813768
  H     13.32827751     10.48625560    -10.14794123
  O     18.82864387      6.56728279    -12.27875116
  H     13.39270014      4.30989341    -14.51096305
  H     14.58606308      7.07887623    -12.48178188
  O     13.11342656      1.28170062    -14.78353086
  H     16.46495985      3.59501358    -11.11220455
  H     14.09881714      5.89399023    -11.63053305
  O     12.93611021      0.20540445    -12.11803808
  H     15.13654619      2.93888994    -11.58793247
  H     11.98771307      5.75599673    -11.53247157
  O     17.97827556      9.13077840    -12.26185645
  H     18.29161460      6.05566780    -11.65948042
  H     12.67145963      4.48332101    -10.94793000
  O     16.22483520      9.26085306    -10.07350651
  H     18.88337655      6.04948836    -13.09056169
  H     15.86916207      0.14511907    -15.87095778
  O     15.04965699      4.89444143    -14.61256365
  H     12.89180859      0.86107873    -13.94328694
  H     14.80789320      0.94463560    -15.07990405
  O     15.78966443      8.86351109    -14.08778542
  H     12.77230565      2.18356415    -14.73290808
  H     10.62942405      6.88764067    -13.43073047
  O     16.77366123      6.83265294    -15.72230493
  H     12.54955612     -0.55477721    -11.69292502
  H     12.12652407      7.19995657    -13.22175005
  O     18.84267048      5.04760106    -14.68270076
  H     13.90076559      0.06809202    -12.12452679
  H     16.24805384      5.67858414    -11.22826020
  O     13.59010657      9.62664663    -10.46680520
  H     18.72023641      9.70478758    -12.43307623
  H     16.79091032      5.75470413     -9.78771593
  O     14.83867232      6.20221103    -12.16952860
  H     18.31864973      8.21868777    -12.28484338
  H     16.80472347      2.94079593    -13.22736330
  O     12.49579709      5.42055065    -10.78230542
  H     16.37992017      8.48523221     -9.52230316
  H     16.71314844      2.20900081    -14.59411672
  O     15.75629192      0.72754144    -15.12456739
  H     16.86631703      9.23152098    -10.79478885
  H     15.95108869      0.95725694    -11.91809784
  O     11.46602071      6.48502715    -13.21099705
  H     15.03281304      5.36188803    -13.76354398
  H     15.81093834      0.19856280    -13.25215030
  O     16.92352617      5.31184625    -10.63482648
  H     15.72769485      4.21102589    -14.53943268
  H     13.43643786      8.03896218     -9.38390735
  O     17.05893545      2.99958998    -14.16052945
  H     16.51394531      9.03736596    -13.47625043
  H     13.09515665      6.53675405     -9.44739939
  O     15.64641836      0.12466069    -12.30389099
  H     16.13845603      8.23511261    -14.73578916
  H     15.23665523      6.95231972     -8.54527496
  O     13.54805476      7.20363055     -8.91391063
  H     17.57797445      6.37289771    -15.45806505
  H     16.37189865      6.89306354     -7.49600530
  O     16.20281393      6.88853262     -8.43430242
  H     16.06574394      6.20231569    -15.53302679
  H     13.36664929      8.93597876    -12.16847660
  O     13.35900343      8.46573912    -13.01251453
  H     18.27428514      4.27630150    -14.52475374
  H     14.15312125      8.73068755    -13.50555455
          69
 Energy    -249.12144224254422     
  O     12.54017507      5.27426484    -15.33779664
  H     11.97029073      5.27626340    -16.10300025
  H     16.00501035      4.90101892    -15.07465389
  O     17.21197671      5.84153772    -12.48462999
  H     13.07142208      6.08634321    -15.38424842
  H     14.64804902     11.48257728    -14.29896178
  O     15.54717032     10.31011030     -8.73800669
  H     17.09499097      5.77139931    -13.44097893
  H     16.16023498     11.20201601    -14.23456807
  O     19.56713096      9.27934843    -13.83247423
  H     18.05764714      6.26515932    -12.27618610
  H     16.47873429      8.44496693    -11.10236251
  O     14.80434531      3.57142233    -14.78600593
  H     14.91054733      9.57319797     -8.76840406
  H     16.45394998      7.50877207    -12.31639142
  O     13.99773247      8.08498641     -8.79788773
  H     15.41755857     10.74947437     -7.90121117
  H     12.01713599      4.88266857    -13.54926818
  O     15.22416836      4.99850667    -10.85506495
  H     20.40693440      9.45760983    -14.24726421
  H     12.08272702      5.37031603    -12.07923230
  O     13.59488719      8.74044589    -12.89945749
  H     19.01285880      8.83822251    -14.50187674
  H     16.98683673      9.14689146     -9.17776469
  O     19.28659803      7.42504652    -11.65325438
  H     14.63280254      3.23693985    -13.89827828
  H     17.10624745      7.60365672     -9.14889661
  O     16.07950276      6.14367299     -8.53480030
  H     13.99341880      4.02517197    -15.04897128
  H     13.61397015      1.99746195    -11.86837132
  O     15.61039210      9.41808391    -16.72028516
  H     14.63313072      7.40003100     -8.55419829
  H     13.13268737      3.41040882    -12.28069378
  O     16.40946257      5.78005596    -15.11639589
  H     13.47749989      7.70783598     -9.51784963
  H     16.87805796      9.85976120    -12.64283358
  O     15.42442305     11.33099996    -14.84939933
  H     14.83252604      4.18862521    -11.20321354
  H     18.20000167     10.40576778    -13.19496987
  O     16.11468283      8.35254835    -11.99222912
  H     15.95810646      5.23928500    -11.44254538
  H     16.21758435     11.58595488    -11.65356436
  O     11.90991239      4.59736913    -12.63313978
  H     13.38057565      9.68057510    -12.89133650
  H     15.48425490     11.33977789    -10.30979718
  O     17.46792155      8.40128541     -9.55957814
  H     14.49432218      8.65329995    -12.54204375
  H     14.57501554      8.14781889    -15.87671127
  O     13.92349682      2.86484951    -12.11447700
  H     18.85496427      7.86182144    -10.90893132
  H     13.91464937      7.95200752    -14.48046175
  O     17.32567190     10.68116026    -12.89700001
  H     19.44903477      8.10340578    -12.32078136
  H     13.76827962      6.19838764    -11.05999152
  O     15.43358238     11.82571160    -11.14176879
  H     16.31841025      5.48880726     -7.88407684
  H     13.08832085      7.43029129    -11.73901387
  O     14.15669788      7.49637318    -15.29981908
  H     15.78146254      5.65882668     -9.32404502
  H     12.69206590     12.19500301    -12.71983573
  O     12.95847915      6.72818350    -11.08543813
  H     15.52534647     10.15301792    -16.08528780
  H     14.06101801     11.69855898    -12.19355901
  O     13.36789029     11.53796442    -12.86025899
  H     15.56806747      9.79910464    -17.59296877
  H     17.21899549      8.59709822    -16.06607853
  O     17.92398861      8.09372435    -15.64212191
  H     15.66686038      6.39845169    -15.15396341
  H     17.57615158      7.19830498    -15.54308450
          69
 Energy    -249.12144183053005     
  O     12.94692081      5.14555617    -15.49336065
  H     12.41978526      5.11409773    -16.28799644
  H     15.79407218     11.39713119    -13.98595615
  O     17.37214023      6.12405802    -12.37114422
  H     13.38190973      6.01418153    -15.48209520
  H     16.27304094      8.56747566    -10.94008698
  O     15.01373514     10.21490324     -8.56586264
  H     17.31220691      6.08057384    -13.33432875
  H     16.41811612      7.68549425    -12.18588295
  O     19.37673407      9.86091002    -13.46645758
  H     18.15134955      6.63247500    -12.10205581
  H     12.38379989      4.62332036    -13.75093436
  O     15.36300640      3.69094724    -14.87912956
  H     14.46935242      9.41202960     -8.65693468
  H     12.31850657      5.05416574    -12.26324529
  O     13.73821403      7.83186510     -8.78866066
  H     14.79202622     10.60173804     -7.72249029
  H     16.59901066      9.24273170     -8.96705292
  O     15.41648558      4.99304796    -10.88326344
  H     20.20993908     10.15074932    -13.82819720
  H     16.89524256      7.72334168     -8.98613590
  O     13.46823753      8.60582914    -12.88047145
  H     18.91174995      9.38740963    -14.18024902
  H     14.21860956      1.87225231    -12.08814866
  O     16.01548913      6.13160145     -8.48086888
  H     15.18715767      3.30267575    -14.01444001
  H     13.59777685      3.23686839    -12.47603562
  O     15.58056426      9.66627196    -16.55928503
  H     14.51908724      4.05966255    -15.16980583
  H     16.58214972     10.08096781    -12.40569938
  O     16.71524991      6.08009153    -15.04332462
  H     14.43583311      7.21442847     -8.53492697
  H     17.85775637     10.79660090    -12.86528143
  O     15.08003492     11.46657683    -14.63511091
  H     13.30209376      7.42785753     -9.54879524
  H     19.32028561      8.61778752    -12.00581679
  O     15.96730145      8.47092445    -11.85120755
  H     15.13953411      4.15883188    -11.28060384
  H     18.68821978      8.25189090    -10.63789861
  O     12.26463546      4.29007440    -12.85264160
  H     16.14603798      5.34008115    -11.42093791
  H     15.67686362     11.67814703    -11.39375471
  O     17.18196945      8.57331417     -9.34809248
  H     13.14604416      9.51421114    -12.85092800
  H     14.91059875     11.29461935    -10.10153239
  O     14.43725620      2.77872240    -12.28624461
  H     14.35263179      8.60721968    -12.47777201
  H     14.65869059      8.25237494    -15.81879002
  O     16.94352141     10.95787192    -12.60595473
  H     16.29588937      5.48197346     -7.84155067
  H     13.95630286      7.92498096    -14.46845582
  O     19.20444117      7.89833609    -11.37247944
  H     15.81575009      5.64891048     -9.30179566
  H     13.84322629      6.02641440    -11.12498256
  O     14.84563515     11.80551752    -10.91740067
  H     15.37898573     10.35983874    -15.90436947
  H     13.05971230      7.19964668    -11.79628020
  O     14.29044522      7.53417785    -15.28891896
  H     15.53810757     10.07569855    -17.41900386
  H     12.16244078     11.92442039    -12.62881728
  O     12.97967768      6.46092628    -11.17590704
  H     15.90867127      6.61070251    -15.09958729
  H     13.55162875     11.56611778    -12.04637647
  O     12.91617180     11.35513805    -12.75516982
  H     16.41406486      5.15966433    -15.05473746
  H     17.23877296      9.00788764    -15.84756752
  O     17.97527632      8.57118774    -15.40372486
  H     14.26468095     11.50568270    -14.12287760
  H     17.72924158      7.63860714    -15.35541870
          69
 Energy    -249.12136444428830     
  O     18.51660385     10.59031364    -17.75234939
  H     18.26860039     10.13308625    -16.93312883
  H     17.17951973      6.01579285    -15.58901081
  O     15.73242710      6.11075768    -12.86774279
  H     18.14104111     11.47510699    -17.69829174
  H     18.03729270      8.08012476    -11.77014370
  O     16.19568304     13.87368066    -12.28367276
  H     15.33125160      5.31091884    -12.53915625
  H     17.45014212      6.73500514    -12.24445303
  O     21.42820191      9.44230428    -14.32573043
  H     15.87253904      5.98407154    -13.82368066
  H     20.83403037      8.50198839    -17.50931323
  O     15.20340511      7.61477668    -17.56028408
  H     15.32505024     13.81631132    -12.69452454
  H     20.30255113      9.93176796    -17.40083666
  O     13.88806896     11.10241123    -11.73336024
  H     16.84081488     13.72267020    -12.98826333
  H     18.12057772      8.30809072    -15.54369598
  O     15.10502215      8.83036756    -12.85724353
  H     21.21980161      8.55039914    -14.02549645
  H     16.80988423      9.16727507    -15.46533756
  O     17.83011056     13.05103941    -14.40831532
  H     21.37732581      9.42232575    -15.29337672
  H     16.42191927     12.80923598    -16.80615813
  O     20.52024672      6.82339760    -13.45924408
  H     14.38972539      7.49548448    -18.04471000
  H     16.97722543     13.82075592    -17.83071353
  O     14.97433673      9.44411497    -15.53564463
  H     15.02846944      8.29311979    -16.88613713
  H     17.12224229     10.55899457    -11.17473196
  O     18.86695553      6.63959916    -15.68995751
  H     14.14453427     10.24654778    -12.10148623
  H     18.09566978     10.22926930    -12.34883521
  O     16.22451910      5.87445078    -15.50762709
  H     14.59527737     11.34903658    -11.12415537
  H     16.39795353     12.35600299     -9.48540085
  O     18.27233716      7.16881623    -11.98928594
  H     15.93264635      9.20074135    -12.51497106
  H     16.28594325     12.70490627    -10.98950601
  O     21.01796510      9.35631623    -17.10289423
  H     15.19060593      7.87064538    -12.79706252
  H     18.62069110     10.21569042    -14.32798926
  O     17.77227667      9.20699302    -15.47749884
  H     18.00703164     13.23946206    -15.33425325
  H     20.04787968     10.44934432    -13.80875624
  O     17.22346359     13.07988690    -17.28166249
  H     18.39794668     12.30963429    -14.14578811
  H     13.64639225     12.41514151    -12.84312836
  O     17.44383611      9.84869137    -11.74245277
  H     19.74601362      6.94816976    -12.88078295
  H     12.78958985     13.59938650    -13.35301223
  O     16.24582447     11.97488456    -10.34585324
  H     21.11330093      6.23511435    -12.99945972
  H     19.16518077      7.30191370    -18.55968088
  O     19.13764457     10.76404326    -13.71660272
  H     15.03731935     10.40786865    -15.57446722
  H     20.33461522      6.35826682    -18.93245204
  O     13.63604493     13.17368353    -13.45549622
  H     14.90336383      9.20113797    -14.60082601
  H     16.18115451     12.36675584    -14.93239819
  O     19.98336729      6.89121303    -18.22489624
  H     19.33629973      6.63656778    -16.53420226
  H     14.65257064     12.56631491    -14.85264976
  O     15.35344724     12.19871800    -15.40695588
  H     19.51828283      6.63295939    -14.97667010
  H     17.92441613      9.08119885    -18.67604647
  O     17.69994256      8.17354461    -18.92598155
  H     15.82496703      6.34246359    -16.24834490
  H     16.85714832      7.97235608    -18.50359359
          69
 Energy    -249.12067950711455     
  O     13.52871848      3.95153435    -12.21302719
  H     12.83985566      3.28142857    -12.30388945
  H      9.91749433      9.96545835    -11.75396761
  O     13.86257872      4.18785299     -9.47945276
  H     13.14177201      4.76476011    -12.56033518
  H     10.63649343      5.19331795    -12.47334052
  O      8.22433779      6.56010014    -13.41611658
  H     13.95769946      4.04935874    -10.43177204
  H     10.26428623      3.69587055    -12.39424393
  O     14.33654566      8.65049683     -8.56587002
  H     13.02715781      4.67422327     -9.38949190
  H      8.70227564      6.90448037     -9.41927591
  O     11.76143439      6.02248789     -6.57546431
  H      8.65849275      5.76196433    -13.08828655
  H      7.99457467      8.11660573    -10.03989443
  O     11.27294074      2.14880832    -12.32550523
  H      8.90717260      7.03984083    -13.90125579
  H     11.88031798      6.49654145     -9.79687294
  O     13.08403741      2.06932430     -7.95044072
  H     14.40529742      7.77179988     -8.15024283
  H     10.70162494      5.50587600     -9.49925395
  O     12.01908885      6.32256095    -12.89104509
  H     15.22788284      8.96909427     -8.68203759
  H     11.66160681      1.62965339     -9.12084427
  O     10.58448907      9.66841945    -10.04014681
  H     11.72123420      5.88960889     -7.53647346
  H     10.15597096      1.93640984     -9.23921795
  O      7.14515700      8.38217948    -11.70579516
  H     11.14279671      6.74637755     -6.41241859
  H     14.41988740      5.46723418     -8.13887337
  O      8.90282853      2.88307694     -8.15782158
  H     11.20958486      1.34596333    -12.83560224
  H     13.59907110      6.09807742     -6.98444656
  O      9.44309464      9.85021159    -12.58781723
  H     11.14823583      1.89963558    -11.39204554
  H      8.84856374      4.35775398     -9.25046519
  O      9.89779200      4.58532987    -12.32143194
  H     13.44983149      2.78970734     -8.49201034
  H      9.18481315      4.87847679    -10.69344770
  O      8.60225995      7.86346045     -9.33282468
  H     13.82343805      1.54853722     -7.64826273
  H     11.89581321      8.56496520    -10.57590100
  O     11.62055661      5.71443757     -9.29456400
  H     11.56770969      6.90271530    -13.51722991
  H     13.30892546      8.15257396    -10.08763135
  O     10.90609300      1.56447173     -9.71784900
  H     12.31605568      6.89077090    -12.16627777
  H     11.23450512      4.26071977     -6.35358158
  O     14.41935007      6.18351598     -7.49122742
  H     11.02541821      9.98115237     -9.24164702
  H     11.74200899      2.88861389     -6.86053815
  O      8.96911316      5.15034359     -9.78916649
  H      9.89871302      9.04163732     -9.76090737
  H     12.87917131      9.57865785     -7.92139900
  O     12.60195608      7.91374499    -10.69777030
  H      6.21742327      8.49720845    -11.89344146
  H     12.33607778     10.77071930     -7.10339157
  O     10.97263577      3.34050451     -6.49295469
  H      7.46371111      7.67382042    -12.29407660
  H     10.13965574      8.78506981    -13.78907296
  O     12.07113403     10.05704409     -7.67927800
  H      9.59798273      3.06665547     -7.49904266
  H     10.54949958      8.52922051    -15.25851529
  O     10.43426694      8.09944165    -14.41522169
  H      8.18296528      2.46843825     -7.69007934
  H     10.67087858      8.85935542     -7.03048044
  O     10.02647991      8.18715818     -6.77908171
  H      8.58009289      9.49608083    -12.33846255
  H      9.42903783      8.09709666     -7.53095460
          69
 Energy    -249.12067018661415     
  O     12.35181937     11.06831141    -15.54891724
  H     13.02609904     11.75440381    -15.49967090
  H     14.59782058      5.91152039    -15.51026647
  O     15.98386747      7.23113865    -12.94044800
  H     12.76753498     10.32382979    -16.00713931
  H     18.92906642      7.88645313    -13.33891010
  O     16.77010143     11.48919327    -10.79954408
  H     15.76734066      7.97430963    -13.52702529
  H     18.72530406      9.07706644    -12.39642772
  O     18.14618432     10.40430599    -15.11437724
  H     16.89912116      7.38513082    -12.67960780
  H     17.14892086     11.24815627    -16.41969915
  O     12.79462404      6.42334018    -15.81732643
  H     16.92658249     10.57861678    -10.49452801
  H     15.78829945     11.97420442    -16.47945242
  O     14.42217989     10.79891178     -9.13993541
  H     16.10995649     11.47103947    -11.50818491
  H     14.96112374      9.25219832    -15.26135146
  O     13.78216736      7.68119105    -11.34169383
  H     18.64866830      9.58785277    -15.23413541
  H     16.41663147      9.69059374    -14.85926913
  O     14.87625896     11.42939442    -12.85144685
  H     18.39577504     10.75048264    -14.24798565
  H     10.01458558     10.36831923    -13.56474370
  O     17.36209277      7.26193945    -16.81931614
  H     12.46390130      6.74299365    -14.95793060
  H     11.41231919     10.49094969    -14.21781817
  O     14.87266674      8.12319076     -8.79222329
  H     12.15465019      5.79643628    -16.14294654
  H     17.76405678      8.38180950    -10.64913622
  O     19.37759398      7.86946359    -15.18312655
  H     15.18960367     11.24023127     -9.52012577
  H     16.60587861      8.45087303     -9.60929498
  O     15.54322502      5.80806465    -15.35163373
  H     13.75031175     10.77994578     -9.83596849
  H     12.49981034      7.39648705    -12.68219413
  O     18.61063097      8.11986643    -12.45682307
  H     14.06954332      7.68244777    -10.42057060
  H     11.52820398      8.30276144    -13.47265661
  O     16.42772809     11.49268624    -17.01699595
  H     14.56481750      7.46644942    -11.87084029
  H     19.70373409     11.41745022    -12.15092891
  O     15.56014138      9.40224578    -14.51936329
  H     14.09927563     11.14968475    -12.34908865
  H     18.19227410     11.29665498    -11.87003951
  O     10.92787525     10.11589060    -13.46028001
  H     15.12087044     10.67596644    -13.41183047
  H     15.99027572      9.32621373    -19.31639209
  O     17.35129389      8.93736885     -9.98018499
  H     16.88244737      7.86595944    -17.39437993
  H     16.08895151     10.06184520    -17.95815425
  O     11.93997417      7.43053337    -13.46846360
  H     16.70598785      6.70328683    -16.37454216
  H     13.14571768      9.39636592    -11.39627231
  O     18.89886734     11.02131762    -12.47648577
  H     14.70460934      9.08276510     -8.80704158
  H     12.06653988     10.32182353    -12.01403517
  O     15.88923752      9.20448861    -18.37622286
  H     14.73383168      7.83318950     -7.89473230
  H     14.71928541     12.44857722    -14.32424021
  O     12.81374397     10.30705070    -11.40336539
  H     18.66762495      7.58406867    -15.78894424
  H     14.58651767     13.78292349    -15.08995339
  O     14.59910083     12.83583920    -15.20741206
  H     20.19357113      7.53147028    -15.54135905
  H     14.39075907      8.91011724    -17.33709473
  O     13.75836926      8.92201839    -16.60755482
  H     15.69758227      6.11936564    -14.45021470
  H     13.43278777      8.02470927    -16.45888275
          69
 Energy    -249.12025388629573     
  O     18.82876691      8.59818843    -12.28129780
  H     19.08445792      7.93173803    -11.62848647
  H     13.47284230     10.95591715    -11.24825790
  O     12.36662705      7.84625178    -10.92920236
  H     18.57189106      8.12476997    -13.08427454
  H     18.72194098      3.63149307    -11.27718310
  O     18.32597428     11.27606313    -11.59906171
  H     12.19048965      8.22492715    -11.80081289
  H     17.38518154      3.99668786    -10.59595463
  O     12.11557750      9.12876015    -13.46072244
  H     12.57430360      8.60012935    -10.36510177
  H     15.21232059      7.21474161    -11.50430421
  O     17.66501790      7.31851587    -14.48273914
  H     17.56509640     11.56657686    -12.11601454
  H     13.78607690      6.73881740    -11.17381810
  O     19.22493894      6.62848977    -10.39214789
  H     18.61242041     10.42671063    -11.96283331
  H     21.23113531      4.13530821    -11.91995304
  O     19.03419033      8.28721714     -8.14214020
  H     11.31415735      9.23981017    -13.96548788
  H     20.01291655      4.69482876    -12.69457301
  O     16.71714606      5.53311208     -9.74975549
  H     12.72867316      8.62298974    -14.02276542
  H     18.43102049      4.31999486    -14.20172826
  O     13.95634153      7.84000413    -14.96575774
  H     17.24539217      8.17075296    -14.65739837
  H     18.79840262      5.80006580    -14.42749542
  O     16.01438216     12.13703615    -13.09278604
  H     16.93232160      6.71831787    -14.27665038
  H     17.08561435      8.66637272    -11.74640144
  O     16.02961388      9.57678980    -14.25681183
  H     19.74398061      5.92847803    -10.80790221
  H     15.99091096      9.08082312    -10.72386752
  O     13.63182069     11.18727617    -12.17081632
  H     18.34560061      6.25953430    -10.22524029
  H     18.29916990     11.10406514     -9.89444116
  O     17.80161974      3.35546687    -11.18692285
  H     19.27913441      7.75716794     -8.91371832
  H     18.58568987     11.70215407     -8.49696501
  O     14.67518466      6.41641762    -11.37366716
  H     18.91299467      9.19424748     -8.44768237
  H     16.58484792     10.12609270     -8.86090457
  O     20.36604660      4.51791941    -11.80360330
  H     16.60798444      6.00269906     -8.91492529
  H     15.96686454      8.76807693     -8.41983737
  O     19.17212257      4.93922508    -14.20023051
  H     15.94714940      5.75436241    -10.29431800
  H     15.12610978      5.82585685    -13.02120097
  O     16.13080340      8.69841660    -11.59737784
  H     14.65856960      8.50255974    -14.90241644
  H     15.84723686      4.78246040    -13.91934868
  O     18.23124818     10.93444180     -8.93720917
  H     14.37046277      6.99876615    -14.73731179
  H     16.53068730      7.03570458     -6.58409315
  O     15.79304269      9.57464825     -8.92242038
  H     15.87410295     13.02930366    -13.39838974
  H     17.52708766      7.60556162     -7.62695882
  O     15.46865299      5.66971168    -13.91356262
  H     15.16167493     11.82843327    -12.73608954
  H     14.10959994     10.03285970     -9.22853183
  O     16.61743741      7.27604475     -7.50265333
  H     16.09480370     10.53140622    -14.15228256
  H     12.76975255     10.65163688     -8.76991233
  O     13.20171395     10.23284253     -9.51030923
  H     15.91959821      9.24671369    -13.35093860
  H     16.70026657      2.35648692    -14.00122479
  O     16.89213504      3.25428739    -13.74455515
  H     13.12525315     10.54658070    -12.68555874
  H     17.15551395      3.22989482    -12.80705684
          69
 Energy    -249.12015489352802     
  O     17.77501598     10.65736386     -7.69849475
  H     17.69675711     11.43043552     -7.14551172
  H     15.71750440      8.68355425     -9.37655324
  O     19.15020007      5.57375502     -9.59231918
  H     18.49571031     10.83512321     -8.32876509
  H     20.35469272     10.43277481     -9.81094293
  O     19.44920481      5.04284572    -13.40589601
  H     18.70536282      4.94270825    -10.17253428
  H     19.32580671     11.39472877    -10.44012958
  O     18.53341990      7.69349101    -13.44444925
  H     18.87455064      6.45341119     -9.90400130
  H     15.16421712      8.26814768    -14.37355677
  O     17.65565466      4.17936571    -11.49967951
  H     18.83885846      4.63351620    -12.77024724
  H     15.90026155      8.95555775    -13.19568905
  O     20.32701466      9.80943024    -13.08014483
  H     19.64684043      4.38021360    -14.06336722
  H     20.90288714      5.78607997    -12.21315249
  O     20.72973793      7.35929248     -7.90581891
  H     18.81436840      6.77558697    -13.54920349
  H     20.78462119      5.76997389    -10.69790688
  O     15.52646348      3.64339561     -7.85375822
  H     17.60277031      7.76214733    -13.69148715
  H     14.42475208      4.62989431    -11.48565936
  O     21.04987650      8.70721311    -10.50170582
  H     16.97780529      4.86364403    -11.61482794
  H     14.58050206      3.22396344    -10.88234127
  O     18.38759432      7.98430777    -10.64861742
  H     17.21745108      3.42655440    -11.08345095
  H     14.36914095      6.44662872     -8.93264008
  O     18.37963347      8.09145180     -6.55923823
  H     20.79575260      9.49286144    -12.29933694
  H     15.86633944      6.61821825     -8.56518749
  O     16.19903235      9.46731428     -9.67489087
  H     19.75292468      9.07974385    -13.35303352
  H     15.50464703      6.45269974    -10.85614531
  O     19.67662274     11.08254090     -9.59598614
  H     20.35011729      6.57743113     -8.32325173
  H     15.61058781      6.75136085    -12.38709346
  O     15.77192473      8.10561405    -13.65755545
  H     21.03759202      7.90750786     -8.63551518
  H     19.31118627     11.13478212    -12.59594175
  O     21.34497413      6.09276279    -11.41432676
  H     16.12918031      4.35435851     -7.59573083
  H     18.91398556     12.63009110    -12.61497097
  O     13.92407856      3.89563256    -11.10388828
  H     14.66609408      4.06045934     -7.98117601
  H     17.51852643      6.64050100     -7.08635553
  O     15.15499686      6.97419634     -9.11869905
  H     21.39834489      7.87562922    -10.85560843
  H     17.88807111      5.64958537     -8.21168672
  O     15.63640976      6.05007520    -11.72619971
  H     20.08618786      8.58019196    -10.48634083
  H     13.30784903      4.59458136     -9.60242769
  O     18.71466450     11.79492498    -12.19940011
  H     18.35521900      7.93020178    -11.61282810
  H     12.22584091      4.94465391     -8.55080002
  O     17.18728390      5.88066597     -7.58992820
  H     17.66062424      8.53996564    -10.34601662
  H     17.04541160     10.90158032    -12.30890130
  O     13.15600610      5.02542370     -8.74238777
  H     19.26760217      7.91122530     -6.90108210
  H     16.11218402     10.14238118    -11.34428291
  O     16.25159702     10.35510127    -12.27875970
  H     18.15644815      8.97797626     -6.86245943
  H     15.95256665      2.73167679     -9.27118292
  O     16.12358566      2.29471629    -10.12557946
  H     16.61589880      9.88692685     -8.91141126
  H     16.16711299      1.35857455     -9.95079977
          69
 Energy    -249.12015364434706     
  O     -4.92948157      4.35585248      2.32314329
  H     -4.81703126      4.77687291      1.45008036
  H     -4.02745257      4.33643371     -3.28247494
  O     -3.34103041     -2.31156371      1.29679399
  H     -5.81325740      4.55695083      2.61814675
  H     -0.49151719     -2.32369170     -2.68092380
  O     -1.00431934      3.96759653     -2.43022947
  H     -3.51001220     -1.94210273      0.41110669
  H     -0.68637679     -1.94967664     -1.19203184
  O     -3.59211367      1.51795880     -1.25611288
  H     -3.95878141     -3.02759290      1.41796598
  H     -2.17657233      8.05313649      1.05588647
  O      1.40044406      5.08221498      2.08612608
  H     -0.75449409      3.04215615     -2.32265219
  H     -2.28407724      6.66484590      1.73345661
  O     -1.08871586      3.04227707      1.09248207
  H     -0.60627352      4.46523147     -1.70310781
  H     -2.70637147      2.46014120      1.30792970
  O     -1.92731293      1.57213636      4.99399207
  H     -3.69281255      1.68728989     -0.30824136
  H     -4.14052327      2.77999932      1.81897635
  O     -3.58039437     -1.28580198     -1.20451158
  H     -3.76271182      2.35367419     -1.70620206
  H     -3.34119819      5.18109853      3.03029091
  O     -2.61145955     -0.07333023      2.83721580
  H      2.00750323      4.35644367      1.88740979
  H     -1.87249890      5.05355580      3.50205121
  O      0.12968846     -0.31164876      2.23550688
  H      0.86253894      4.77921950      2.82518962
  H     -0.80047161      0.18933647     -2.11454456
  O      1.52114043      1.59448192      3.67211311
  H     -0.91056709      3.88327945      0.65103386
  H     -1.78780304      1.27797963     -1.64197288
  O     -3.70317179      4.09670089     -2.41819941
  H     -0.40001783      2.42942803      0.80817181
  H     -1.08289955      2.99142395      4.27966983
  O     -0.87198294     -1.66583919     -2.10544932
  H     -2.21675359      0.92963495      4.32854318
  H     -0.75207411      3.40342542      2.81920056
  O     -2.21817714      7.11835055      0.87297043
  H     -1.71638992      1.06373595      5.77419889
  H     -3.66338669      6.13549920      0.12055027
  O     -3.58975217      2.08019711      1.44853073
  H     -3.72017920     -0.33364656     -1.29612254
  H     -4.17115909      5.05365566     -0.87016896
  O     -2.51971797      5.67442851      3.14948122
  H     -2.74408926     -1.47326169     -1.64768339
  H      0.37780573      1.22140336     -0.61633886
  O     -0.86730211      1.12914524     -1.90097106
  H     -3.03081522      0.65488352      2.35393515
  H      0.66719198      0.65532289      0.81797978
  O     -0.58284159      3.62935288      3.74773944
  H     -2.91521957     -0.88915345      2.42081269
  H     -0.17118344     -1.77860063      1.12001359
  O     -4.38137315      5.51239350     -0.04797386
  H      0.64525195      0.23419291      2.84683045
  H     -1.48126883     -2.52251650      0.82069911
  O      0.92396184      1.33247751      0.17374937
  H     -0.80168000     -0.20323846      2.47053933
  H      2.25839760      2.26249445      0.88557193
  O     -0.58160772     -2.39210108      0.49625786
  H      0.88519620      2.29457088      3.85823263
  H      3.75422000      2.61857418      1.05256681
  O      2.89174533      2.75433524      1.43628601
  H      2.14356609      1.97393387      3.03924139
  H     -0.89100391      6.07067460      0.12811008
  O     -0.25145500      5.38565707     -0.10592318
  H     -2.73017030      4.10709248     -2.47037464
  H      0.42217612      5.38125967      0.59136052
          69
 Ord_Energy   -249.119980    
 O    1.62758267      -1.97002470     -0.489455014    
 H    1.03052032      -2.66228223     -0.174554467    
 H    2.31942797      -1.89421594      0.180193558    
 O    1.35200429      -8.65075588      -2.31564593    
 H    1.07963669      -9.01356220      -3.15486336    
 H    2.27552509      -8.36851883      -2.42247343    
 O    3.02116656      -2.42710400      -2.78094125    
 H    2.45951557      -2.24216294      -2.00695324    
 H    2.64962220      -1.93957722      -3.51111078    
 O    5.24092722      -3.39119482       3.46532702    
 H    4.48288393      -3.95167589       3.71133208    
 H    5.57526636      -3.00926161       4.27239704    
 O   0.136620134      -6.75945902     -0.540781796    
 H   0.470158160      -7.32880068      -1.24289393    
 H   0.464799255      -7.14715672      0.280470729    
 O    6.43548775      -4.39278603      -1.04305232    
 H    6.20228100      -3.45381021      -1.10322797    
 H    6.36709833      -4.65912294     -0.116741970    
 O    7.10046959      -9.63457298      -8.27412680E-02
 H    7.51013660      -8.80519867      0.222516626    
 H    7.66821194      -10.3456469      0.201002732    
 O    3.18677402      -5.11753225       3.90085459    
 H    2.23701382      -5.07642698       3.74312520    
 H    3.50479364      -5.85846663       3.36753893    
 O    3.04401398      -4.94371986      0.265294492    
 H    3.30512571      -4.99904680     -0.662377715    
 H    2.10097289      -4.73677778      0.299444973    
 O    3.95986080      -7.76979303      -2.39460421    
 H    3.92403579      -6.80495405      -2.44793701    
 H    4.86375189      -8.03200054      -2.62610865    
 O    3.91856074      -2.42693043       1.15236974    
 H    4.37713003      -2.55478859       1.98959780    
 H    3.65928841      -3.31429386      0.861478388    
 O   0.402420372      -5.43212986       3.13432837    
 H  -0.318873167      -5.52016068       3.75349164    
 H   0.567454338      -6.32075691       2.77578402    
 O   0.346974194      -4.27156258      0.511194050    
 H   0.120908223      -5.07486248       1.39003303E-02
 H   0.260262966      -4.49409008       1.44584835    
 O    8.14692497      -7.21523476      0.557913363    
 H    8.33270264      -6.83577776     -0.310840786    
 H    7.64053869      -6.54958010       1.03880215    
 O    6.29451513      -5.30786562       1.62591910    
 H    5.57311630      -5.94173193       1.73183179    
 H    6.11587620      -4.60162449       2.25858831    
 O    5.37893867      -1.89347255      -1.17917585    
 H    4.93565369      -1.92290771     -0.318725497    
 H    4.66959667      -1.91867781      -1.83188236    
 O    1.22019553      -7.78311062       1.94360709    
 H    2.14669752      -7.52169371       2.01085234    
 H    1.23526216      -8.63354301       1.47904515    
 O    6.61398029      -8.39663792      -2.64485669    
 H    7.19600296      -7.62947655      -2.57596421    
 H    6.83233643      -8.95248699      -1.88704777    
 O    3.95366693      -6.90360928       1.86015987    
 H    3.61327672      -6.20553493       1.27165508    
 H    4.16296244      -7.67632675       1.31565917    
 O    4.02984762      -5.00376654      -2.32338095    
 H    3.65860653      -4.16190958      -2.61854100    
 H    4.91032600      -4.81967592      -1.96374357    
 O    1.72128069      -9.88972282      0.269798398    
 H    2.68067408      -9.77137852      0.290412396    
 H    1.45930803      -9.61988735     -0.618913114    
 O    4.40255404      -8.95584679      0.120283477    
 H    4.24156141      -8.52658844     -0.732136607    
 H    5.30409241      -9.30033398       9.93051529E-02
 O    8.25944519      -6.11867952      -2.08072519    
 H    8.94620228      -5.67477226      -2.57150698    
 H    7.63382435      -5.43277597      -1.78950679    
          69
 Energy    -249.11950601166089     
  O     -3.58841000     -1.64304405      6.89747762
  H     -3.95168525     -1.03085337      6.24584457
  H     -1.25871801     -5.35675449      1.50183604
  O      0.75316566      1.30941154      2.87302802
  H     -2.62706767     -1.62550264      6.80339982
  H      2.03377405     -0.17973360      3.07012851
  O     -3.24057436      0.17125170      2.65522897
  H      0.92349261      2.10514378      3.37292173
  H      2.57159981     -1.54330392      2.56707705
  O      1.90451785     -2.24548869      5.67606300
  H      0.12645942      0.78236395      3.39823367
  H     -0.64251439     -1.59884488      1.09742833
  O     -4.36023632     -4.16571605      6.23855523
  H     -2.51159834     -0.07966999      3.24377486
  H      0.55477131     -2.31931497      1.77082267
  O     -0.84993565     -2.06876014      6.27038118
  H     -2.82184546      0.71952020      1.97801354
  H     -2.95059434     -3.57323689      2.23905529
  O      0.99636939     -4.73866341      4.60607606
  H      2.12222414     -1.76682914      4.85709200
  H     -1.42936314     -3.39717260      2.29098186
  O     -5.53978742     -2.81200864      3.96810630
  H      2.67292267     -2.18515361      6.23814147
  H      1.97073349     -2.74902780      0.28118674
  O     -1.47032448      1.40611412      0.93469997
  H     -4.13092865     -3.27595388      6.56330941
  H      2.19685304     -3.73890475      1.46898548
  O      1.90489393     -5.41854071      2.16340585
  H     -4.85064232     -4.59538547      6.93438815
  H     -4.79033425     -2.56747429      2.35930085
  O     -0.93109240     -4.28414804     -1.34169050
  H     -1.15813082     -2.91768203      5.91703318
  H     -3.85345468     -1.42176342      1.91291663
  O     -0.65696312     -5.82953416      0.91124739
  H      0.11451405     -2.08701672      6.22719600
  H      1.58306477     -2.62757097     -2.24927835
  O      2.51037146     -0.97152429      3.34379305
  H      1.34705700     -3.93086500      4.99972457
  H      0.43771390     -3.26177491     -1.41961954
  O     -0.35847000     -2.03935740      1.90849025
  H      0.07117180     -4.79636731      4.87567154
  H     -0.96676478     -0.96464459      4.86577929
  O     -2.13893019     -4.02585653      2.49408751
  H     -5.20257430     -3.39440425      4.65854797
  H     -0.71355837     -1.07335496      3.32975922
  O      2.21619354     -2.80568338      1.21402068
  H     -5.45968146     -1.91718057      4.32243694
  H     -1.78593674     -1.43396169     -0.79946293
  O     -4.19285770     -2.28832742      1.64946673
  H     -1.28869622      0.71247936      0.28539651
  H     -0.24008651     -1.35573628     -0.96839037
  O      1.14553154     -2.58963962     -1.40310647
  H     -0.66530078      1.48722988      1.45835955
  H     -3.64775718     -2.53540929     -0.02894750
  O     -0.97823654     -0.46643807      4.04068417
  H      2.49772170     -6.16129166      2.24356279
  H     -3.97442552     -2.56187322     -1.53606842
  O     -1.00301042     -0.91226385     -0.57653584
  H      1.58622014     -5.21590204      3.06202227
  H     -5.50234172      0.59998855      4.96009149
  O     -3.25088484     -2.58759095     -0.91424538
  H     -0.84155857     -4.91488375     -0.61058002
  H     -4.38433754      0.07496446      4.03498608
  O     -4.90481780     -0.13239485      4.82812531
  H     -1.78200034     -3.84934562     -1.22397117
  H     -2.63249888     -4.53664788      5.58612067
  O     -1.76344528     -4.46206814      5.17457858
  H      0.21568961     -5.76822722      1.31654201
  H     -1.92538423     -4.35027689      4.22496413
          69
 Energy    -249.11874342854054     
  O     10.64585768     10.21329807    -12.34613267
  H     11.32971137     10.73405462    -12.78424935
  H     17.87413609      6.59355311    -15.47376024
  O     13.93232125      7.20549518    -14.96259121
  H     10.25261367      9.65901238    -13.03207210
  H     15.72288956     11.93439535    -15.29770731
  O     16.89652860     10.80719269    -10.09263066
  H     13.70168068      6.78038093    -14.12459066
  H     15.00782107     13.17238621    -15.88568034
  O     18.34865477      9.29077115    -16.59658313
  H     13.23913146      7.84029177    -15.18243786
  H     16.15153734      9.61052842    -14.32187641
  O     12.15119058      9.24325909    -15.48788139
  H     16.85169315      9.84229818     -9.96096686
  H     15.11335017      8.42007622    -14.28610507
  O     13.58870487      5.99748676    -12.50187644
  H     17.10212900     11.19332616     -9.24586200
  H     10.50931361      8.65446992     -9.57556333
  O     14.64963647     10.46342785    -11.76040228
  H     17.67607619      8.96526439    -17.20888742
  H     10.94360803      9.15243276    -10.97460245
  O     16.18705794      8.24443647    -18.11995173
  H     18.64897245      8.52051927    -16.10033303
  H     16.98813094      8.02513468    -12.97900182
  O     16.13503840      5.17161031    -13.27784819
  H     12.39220111      9.93978234    -14.85987239
  H     18.28106663      7.28176278    -13.37918939
  O     17.17898627     11.05317343    -14.88226085
  H     11.28954002      8.90624429    -15.21250952
  H     11.72552008      6.18687739    -12.50911989
  O     16.24160674      6.26921863    -16.09555025
  H     14.43283247      5.55508732    -12.66615023
  H     10.83781055      7.08372844    -11.63000862
  O     18.75528477      6.83216808    -15.13608502
  H     13.74297087      6.67359565    -11.82653389
  H     17.98244179     10.71003499    -11.65276408
  O     14.85616348     12.28577588    -15.56770302
  H     15.06978481      9.93927093    -12.46278877
  H     18.44360059      9.48989945    -12.45637327
  O     15.71600869      8.95762295    -13.75913145
  H     15.35495496     10.76164619    -11.17438180
  H     15.70410950      7.90681970    -10.11843239
  O     11.09088126      8.45987361    -10.30557062
  H     15.49496267      8.84783612    -17.79460499
  H     17.08509198      7.75196523    -10.81094118
  O     17.74435768      7.53291172    -12.61614452
  H     16.09219034      8.20822067    -19.06813885
  H     13.48052954      9.66431291    -16.75728586
  O     10.83665350      6.55965310    -12.44074684
  H     16.73261559      5.84203330    -12.92639638
  H     14.51022801     10.80197530    -16.74250490
  O     18.41032200     10.45168877    -12.47904911
  H     16.20805110      5.24428134    -14.23482408
  H     12.92801104      8.11631282    -10.35052652
  O     16.64591749      8.10294867    -10.02635036
  H     17.66653340     10.98982706    -14.04810360
  H     14.07647527      8.90629958    -10.99872554
  O     14.30641037      9.95843783    -17.16239755
  H     17.66352935     10.53889476    -15.54596979
  H     13.46298307     11.07609895    -12.96438881
  O     13.85334085      8.04534916    -10.61681663
  H     15.38471705      6.50302927    -15.70687157
  H     13.48558131     11.75810763    -14.34704305
  O     12.90752380     11.29679199    -13.72713998
  H     16.28357257      6.80537790    -16.89844304
  H      8.96971547      7.97044375    -14.58041774
  O      9.82973937      8.26203352    -14.29103189
  H     19.35106596      6.13723967    -15.40622306
  H     10.16786556      7.58200177    -13.68030456
          69
 Energy    -249.11862779302518     
  O     16.42451592     10.66124317    -10.97456552
  H     16.35984919     10.07847497    -10.19949815
  H     17.90580202      6.01041577    -13.63651694
  O     16.02259741     12.87857651     -9.39544219
  H     17.30298846     10.50320480    -11.34446582
  H     16.81069889      6.04988503     -8.83538954
  O     12.67845752      6.08301697     -9.38251963
  H     16.12282303     12.15850202    -10.04031609
  H     16.16814225      6.24956363    -10.26602259
  O     14.49747182      9.00524888    -12.14887455
  H     15.69817354     13.63516896     -9.87733192
  H     18.53149339      9.41284130    -13.47848655
  O     18.98586817      9.91531108    -11.73043812
  H     11.99025672      5.42644514     -9.30034330
  H     18.55724329      8.02167156    -14.13684227
  O     20.43098875     10.98388143     -9.56814519
  H     13.04447147      6.21330462     -8.49441512
  H     17.81135305      9.42769732     -6.24774161
  O     19.18885756      7.23127876    -11.01889500
  H     14.73925609      8.89551928    -13.07731845
  H     16.99976545      9.78728321     -7.48539137
  O     14.91388410     11.58632624     -7.06645264
  H     15.12990007      9.63648712    -11.77907293
  H     16.50678114      8.76639796    -14.57059103
  O     12.46127162      8.90594980    -10.17322570
  H     19.54506902     10.38055929    -11.09647056
  H     15.34246761      8.85005261    -15.58676413
  O     13.68903015      9.24661410     -7.75621314
  H     19.02894220      8.97920054    -11.48147911
  H     16.48548897      8.07070163     -9.13151824
  O     13.73534199      6.72329745     -6.84391872
  H     21.25192708     11.46185064     -9.48764251
  H     15.32509730      8.95667799     -8.54075840
  O     18.86266926      6.19233625    -13.62143966
  H     19.76556008     11.48123400     -9.05965934
  H     17.72673823     12.59213514     -8.54777092
  O     16.95449620      6.40238807     -9.72594396
  H     19.21263204      6.80167436    -11.88171025
  H     18.19609726     11.56356557     -7.50130487
  O     18.21231918      8.91721777    -14.24386016
  H     18.40321863      6.88864408    -10.56337326
  H     15.63538743      6.21977726     -6.88957391
  O     17.34171585     10.16151605     -6.65739856
  H     15.20112294     12.11610151     -7.82019944
  H     17.15180714      6.53471902     -6.70593560
  O     15.56398958      8.55997977    -14.70611213
  H     15.72057204     11.20534925     -6.69406883
  H     14.63669229      7.26838678    -11.56877971
  O     16.22734821      8.96741823     -8.88641504
  H     12.37399699      7.95581081    -10.03416627
  H     13.97952286      6.14500767    -10.71723486
  O     18.51500766     12.22305370     -8.13357256
  H     13.04979743      9.01494467    -10.93226215
  H     19.83893997      7.84428736     -9.35708601
  O     16.52474786      5.90930089     -7.09259415
  H     13.18017573      9.30163439     -8.57861650
  H     20.18500338      9.22984937     -8.79477152
  O     14.70738941      6.33421009    -11.32062382
  H     13.97260836     10.13119686     -7.48388303
  H     19.12608141      7.88602542     -7.06120030
  O     19.97882200      8.32555570     -8.53159711
  H     13.32706556      6.63029470     -5.98655055
  H     19.28497803      7.34545626     -5.62479453
  O     18.63975445      7.68229907     -6.24138942
  H     13.70240148      7.67140464     -7.06776481
  H     15.86628239      6.73875010    -14.15582708
  O     16.15642475      5.93288418    -13.71012935
  H     19.28217887      5.49910898    -14.12366195
  H     15.63418139      5.88333063    -12.89934199
          69
 Ord_Energy   -249.118515    
 O    5.43209314      -2.10180116       5.90759945    
 H    5.11014128      -2.96144104       5.59915161    
 H    5.11620140      -1.99005103       6.81423044    
 O    2.53039432       3.34695101       8.78536034    
 H    2.02123547       3.78858972       9.45950890    
 H    3.43486333       3.70485353       8.83862877    
 O    4.08357239      -4.35469341       5.14099598    
 H    3.58199096      -4.30775785       5.97011042    
 H    3.48134947      -4.03664398       4.45994282    
 O    7.62270308     -0.497380167       6.08579540    
 H    7.85100698      -1.55311998E-03   5.29054546    
 H    6.94720316      -1.15865195       5.87348557    
 O    2.14864302      -2.89640641       3.50856757    
 H    1.57920730      -2.71904778       4.27421427    
 H    1.57667279      -3.18754578       2.80243278    
 O    5.10387754       4.18842268       8.91618633    
 H    5.58159971       4.53077602       8.15197754    
 H    5.66845560       3.50729680       9.30666542    
 O    4.70649338       3.20067811       5.32107115    
 H    3.75206757       3.27409768       5.46206474    
 H    5.03828716       2.51328349       5.91959906    
 O    2.03316736       3.18462443       5.95203018    
 H    2.08055639       3.30244899       6.90950108    
 H    1.79604208       2.26055217       5.80377340    
 O    5.70431566       1.30329394       7.08134270    
 H    6.07763147       1.64570630       7.90399790    
 H    6.35070276      0.684169829       6.72130442    
 O    1.89121723      0.314310730       5.78634834    
 H    2.32028317      0.421965957       6.64839506    
 H    2.58558416       8.19834173E-02   5.15266848    
 O    8.12017536       1.34381890       4.03505659    
 H    8.68348217       1.31416273       3.26636815    
 H    7.20286131       1.38586438       3.70957685    
 O    5.52637672       1.44466972       3.31336403    
 H    5.17577362       2.15899467       3.86295962    
 H    4.93906927      0.691009581       3.45308089    
 O    9.36499882       2.20844746       8.72172928    
 H    10.1426058       2.68663740       8.99568176    
 H    9.14534187       2.51911616       7.82445526    
 O    8.60287666       3.09281349       6.28739691    
 H    8.44708157       2.54857326       5.50682640    
 H    7.90392637       3.75781274       6.31316566    
 O    6.59579849     -0.816453159       10.1417360    
 H    7.40757513     -0.824689031       9.60184956    
 H    6.81212759      -1.24337196       10.9671221    
 O    6.71207905       2.00369835       9.60623360    
 H    6.59133577       1.09798527       9.91748524    
 H    7.65347672       2.11556935       9.41263771    
 O    3.24866486      0.716703236       8.14932728    
 H    4.11438417      0.897287786       7.74827957    
 H    2.93205166       1.55576432       8.50501537    
 O   0.720369399      -2.15275288       5.80430698    
 H  -0.192921594      -2.13444018       6.07930231    
 H    1.04123116      -1.23506474       5.83041906    
 O    4.43030262      -1.74388170       8.52207088    
 H    5.17032480      -1.53844643       9.10596180    
 H    3.89096498     -0.940520465       8.49279690    
 O    3.86339688     -0.702761233       4.09459639    
 H    4.44719791      -1.13765597       4.73418427    
 H    3.33611250      -1.40510964       3.69555664    
 O    8.78707504     -0.583911359       8.58282661    
 H    8.46850491     -0.650379479       7.67009068    
 H    9.15098000      0.305789351       8.66276550    
 O    6.42985964       4.94970751       6.46028519    
 H    5.78287363       4.41873455       5.96273422    
 H    6.41472054       5.82593203       6.08321857    
 O    2.62309599      -3.69928432       7.43301964    
 H    3.19167233      -3.09763265       7.93076897    
 H    1.95581293      -3.15222120       7.00393629    
          69
 Energy    -249.11828941223266     
  O     17.43760360      9.61094165    -15.27735898
  H     17.46997125     10.13145296    -14.46860158
  H     12.79463205      9.82331327    -10.76649416
  O     16.75291777      4.41011428    -14.84604803
  H     17.66761136      8.70186130    -15.03137031
  H     14.70703455      8.13436612    -14.62134045
  O     12.02087340      7.82071389    -13.13547325
  H     17.12308110      3.66030168    -15.30375490
  H     13.75979478      8.24347773    -13.40706658
  O     12.01742893      6.58447732     -9.13139050
  H     15.85828746      4.54612297    -15.20664382
  H     17.59211666      6.15965626    -14.63670223
  O     14.20561620      4.91281134    -15.62569618
  H     12.24181072      6.87741074    -13.18257041
  H     17.62849070      7.15259946    -13.46500565
  O     13.37802912     11.55976244    -11.18426930
  H     11.77700609      8.12629640    -14.01802800
  H     12.22816678      9.67056098    -15.87106204
  O     14.63176850      6.03996240     -8.06915075
  H     12.11870944      7.43618435     -9.57573120
  H     10.94407017      8.93474387    -16.32551963
  O     15.67658344      9.78820700    -17.29555436
  H     12.83177628      6.44813632     -8.63133088
  H     13.74840553     11.24806109    -15.23874362
  O     11.72884625      4.36981388    -10.68380128
  H     13.61146045      4.92368824    -14.86567702
  H     14.13816129     10.67282726    -16.60639088
  O     14.48394366      4.03831384     -9.89048267
  H     14.20603185      5.81267799    -15.98223355
  H     13.85203036      5.13542298    -12.82264604
  O     15.59883718      4.85482999    -12.31609546
  H     13.74480098     11.50680368    -12.08324066
  H     12.41476547      4.84067106    -12.34282519
  O     12.66718730      8.87336102    -10.65506354
  H     12.92709160     12.39776710    -11.11868525
  H     13.30768213      7.94937226    -16.27658579
  O     14.64525682      8.47078541    -13.71921874
  H     14.65075974      5.28773381     -8.68816395
  H     14.72831332      8.26379480    -16.82462348
  O     17.90110449      7.03705588    -14.38552933
  H     14.92235891      5.70881885     -7.22394171
  H     15.55973488     11.46721780    -13.46270455
  O     11.71411736      8.84886510    -15.76941982
  H     16.15323790      9.96402912    -18.10182487
  H     14.63976257     10.25366449    -13.66299160
  O     13.37890264     10.96789260    -16.08679042
  H     16.33820068      9.76330489    -16.57890961
  H     15.90250406      7.84607061    -12.61507132
  O     12.92046664      5.21456267    -13.07605441
  H     10.95487186      3.87995258    -10.41976780
  H     16.20107153      7.70424096    -11.10618967
  O     14.19986098      7.59156972    -16.37500814
  H     11.75223678      5.17496167    -10.13578596
  H     18.06787491     11.88689105    -12.74292955
  O     14.63614708     11.22259374    -13.60045819
  H     13.55486696      3.97377115    -10.14146991
  H     16.99200286     11.05879192    -12.01132696
  O     16.50665254      7.43075822    -11.97961523
  H     14.96725172      4.21018473    -10.71078458
  H     15.96947266      9.95396198    -10.07932074
  O     17.33436474     11.29538083    -12.89116977
  H     16.05669821      4.55031181    -13.10841796
  H     15.21789743     11.19466287    -10.56660668
  O     16.10276514     10.82085190    -10.48421634
  H     15.94773584      5.73767985    -12.12496095
  H     14.35824053      8.44563418    -10.01944201
  O     15.24028393      8.26935991     -9.66151462
  H     12.34250769      8.53092228    -11.50036107
  H     15.13876634      7.54653934     -9.03065104
          69
 Energy    -249.11809287769896     
  O     16.43933628      9.74584773    -11.50922336
  H     16.19802469     10.67004656    -11.64203009
  H     13.71075708     10.68267014     -8.80009283
  O     15.76904678      5.32702787     -6.38774667
  H     15.83438646      9.16576007    -11.99239321
  H     12.41750588      9.04597546     -5.70055833
  O     16.10917139     12.50297108    -11.47496596
  H     16.21424755      4.53908533     -6.08772547
  H     13.13322689      9.11444213     -7.06897849
  O     13.20741844      6.05628526     -7.38056590
  H     16.17404739      5.57468388     -7.23736046
  H     16.67385928      4.88356944    -11.82463279
  O     15.01020161      7.70899002    -12.68460144
  H     16.10623420     13.23251755    -12.08787717
  H     17.61697380      3.84683178    -12.47250697
  O     18.96648960      8.78914449    -11.93319186
  H     16.95892802     12.53469899    -10.99596539
  H     17.53615781      6.24233069     -9.25020925
  O     20.44188148     10.49319711    -10.21005398
  H     14.01309392      5.69103807     -6.99578129
  H     16.32548741      7.10837930     -8.82283913
  O     18.93870284      6.49453960    -10.34521970
  H     13.08003728      6.91335183     -6.95516324
  H     18.12887342      7.73267154    -13.33878198
  O     12.56152270      5.69270462     -9.97757000
  H     15.01405083      6.95365562    -12.08136332
  H     17.61127385      6.28787468    -13.37970654
  O     14.75512252     12.11088639     -8.97861043
  H     15.77944002      7.57208536    -13.25804791
  H     17.35148226     11.14352758     -7.15259171
  O     12.79988912      8.38942494    -10.94834072
  H     19.58602998      9.39518280    -11.51169707
  H     17.33403989     12.59038486     -6.61354310
  O     13.31655681      9.80991047     -8.64900106
  H     18.08610993      9.17199864    -11.79159192
  H     16.13365636      9.14562458     -9.88040186
  O     13.10753598      8.64030809     -6.21915927
  H     20.25049003      9.83316617     -9.51935208
  H     14.97693692      9.06916937     -8.84730329
  O     17.57172301      4.75105416    -12.17116506
  H     21.37559318     10.68030660    -10.15922480
  H     19.08590559     11.80035550    -10.07839379
  O     16.68546514      6.20728067     -8.79332625
  H     18.97665692      7.29548620    -10.88982364
  H     18.05013080     12.33871799     -9.06149924
  O     17.49868663      7.15484302    -13.78792005
  H     18.66396920      5.79182080    -10.94675969
  H     14.87513787      8.27984323     -5.54060454
  O     17.19590228     12.06964242     -7.40103671
  H     12.76606765      5.81024578     -9.03204755
  H     15.81014308      7.06164508     -5.54045461
  O     15.87626148      8.77137251     -9.02697718
  H     11.75425179      5.18747703    -10.02387609
  H     14.23019109      5.38009149    -10.71742047
  O     18.35186645     12.41777026     -9.97559886
  H     15.52141791     12.13320328     -8.39296234
  H     15.64945903      5.65713855    -10.17365440
  O     15.76991346      7.99826851     -5.31228167
  H     15.09223946     12.31979678     -9.85798063
  H     19.55469990      7.74731001     -8.87721386
  O     15.15955813      5.42103933    -10.97515973
  H     12.62152473      7.49103618    -10.64226259
  H     19.05605588      8.76981743     -7.81503856
  O     19.78023748      8.56524873     -8.42165944
  H     13.42479257      8.29409649    -11.67604460
  H     17.02985748      8.94084149     -6.22016115
  O     17.50504112      9.38271095     -6.93765545
  H     13.04603523      9.42288228     -9.49478252
  H     16.96874793      9.21482360     -7.72886629
          69
 Energy    -249.11788513585662     
  O     12.24179311      2.37006713    -12.55883788
  H     12.23497362      3.15649793    -13.11614383
  H      8.71014133      7.51135471    -11.90704454
  O     11.40826500      1.21253352     -8.24548673
  H     11.36523032      1.97768559    -12.65389223
  H     12.27170417      5.39536852    -10.59735656
  O      8.50360590      6.95473365    -13.64066866
  H     11.00878226      1.97196844     -7.78281161
  H     12.20763239      3.99939416     -9.93091835
  O     15.41452725      6.43185067    -10.30103890
  H     11.55837060      0.53860455     -7.58765977
  H     12.95631175      5.98561422     -7.05181489
  O     11.15224076      5.93965579     -7.53286118
  H      8.55386822      5.99042989    -13.60896611
  H     14.26467604      5.29560454     -7.52006403
  O      9.53179089      1.44713541    -12.73735535
  H      9.27816139      7.23268214    -14.14478091
  H      9.97237496      1.06216542     -9.49106250
  O     13.19170639      2.47673538     -9.98560969
  H     15.39618969      5.61065969     -9.79365190
  H      8.62046360      1.78330246     -9.61023523
  O     11.84457629      4.95111001    -13.85818238
  H     15.26995339      7.14237531     -9.66353852
  H     15.29074176      8.81989842     -7.72427430
  O     11.52264844      8.43353712    -12.05334094
  H     10.70798973      6.77344165     -7.72156401
  H     14.42123085      7.54043966     -7.75528977
  O      7.81482082      3.28028677     -8.74358728
  H     11.42078043      5.58135610     -8.39507503
  H     14.47407824      3.45037885     -9.20106663
  O      9.21904542      4.19551324    -13.25904629
  H      9.38659672      1.31924198    -11.78306135
  H     15.83778974      3.49360144     -8.48356432
  O      9.05031098      7.52175867    -11.00038383
  H      9.24375735      0.64706674    -13.16882401
  H      9.06865525      4.56469103    -11.50678016
  O     11.77891951      4.86307703     -9.95864842
  H     12.62282854      1.93075355     -9.42723880
  H     10.06111937      4.75384377    -10.32751524
  O     13.92047079      6.04485224     -7.01876284
  H     12.93352274      2.35329583    -10.91256827
  H     12.73520401      7.06540379    -11.90569594
  O      9.20228762      1.16102351    -10.06344198
  H     11.61907702      5.72876818    -14.38150226
  H     14.04577102      6.34765581    -11.40633468
  O     14.69699332      8.31650956     -8.27514551
  H     12.41237425      5.29798823    -13.15188384
  H      9.28018596      3.33816811     -7.53261588
  O     15.09229238      4.03496326     -8.73343211
  H     10.67510545      8.10432365    -11.72483052
  H     10.46359760      4.23919473     -7.10950929
  O      9.12334720      4.79281640    -10.56852764
  H     11.93169532      8.89601919    -11.30564646
  H     11.67200713      9.05042167     -9.13688956
  O     13.20018466      6.21992011    -11.85964640
  H      6.89844075      3.52764987     -8.65534194
  H     13.21731804      9.01981925     -9.18782434
  O     10.15205961      3.32518866     -7.11787644
  H      8.20884272      3.88018930     -9.40208030
  H     11.40816710      8.24510997    -15.33230656
  O     12.43357791      9.32808896     -9.65945322
  H      9.20410103      3.23220260    -13.19467909
  H     11.32572695      8.00518498    -13.81023920
  O     11.10716512      7.62134947    -14.67607286
  H     10.13322314      4.43963636    -13.46884211
  H      9.35576179      8.97090472     -8.09583322
  O      9.95463211      8.35476889     -8.51211975
  H      9.04422238      6.59197435    -10.73102481
  H      9.56953756      8.14157258     -9.37793757
          69
 Energy    -249.11782138478594     
  O     15.80361432      9.29665148    -14.98691561
  H     15.36078151      8.89489016    -14.23099632
  H     14.43113571      1.72898792    -16.84355240
  O     14.10316925      5.17313680    -15.82869687
  H     16.71115590      9.47520148    -14.70854559
  H     19.11798272      3.98567965    -17.35666352
  O     18.76023421      4.95488343    -12.27711941
  H     15.01646127      5.49086266    -15.74126379
  H     18.58298636      3.24243984    -16.11202287
  O     18.43782365      4.77200270    -18.97102719
  H     14.16074049      4.28526966    -16.20512925
  H     18.27727477      6.40583557    -18.13262147
  O     15.81357012      4.26732083    -18.98720846
  H     18.33081271      5.79671882    -12.50551325
  H     17.45790410      7.69237998    -17.72263346
  O     15.39618912      7.35210465     -9.88213529
  H     19.46175009      4.85002735    -12.92913888
  H     17.04204008      6.30850998    -14.64915419
  O     14.25015975      5.11777717    -13.06502876
  H     18.80717069      4.57333944    -19.82699113
  H     17.28503394      6.23998080    -16.17663329
  O     17.51972232      7.19904515    -13.07626616
  H     17.48910814      4.54985091    -19.01505035
  H     15.39466223      2.46756620     -9.23794219
  O     16.91275991      3.08922464    -15.25866333
  H     15.27581683      5.06680039    -18.88433056
  H     14.89630828      3.74608580     -9.95559902
  O     13.74943215      5.02480070    -10.30853055
  H     15.43064452      3.61028414    -18.39602404
  H     21.50183771      4.74566637    -14.45271901
  O     20.01631771      7.66967650    -15.46808366
  H     15.47152996      7.89706592     -9.10314378
  H     20.17920019      4.51410456    -15.21252740
  O     14.77396003      2.61717721    -16.89426036
  H     16.15032386      6.73647222     -9.86422109
  H     16.20473419      3.13096535    -11.66365395
  O     19.37727804      3.63703443    -16.49566473
  H     15.02341916      4.54888767    -12.95136921
  H     17.30018938      3.89013310    -12.45506116
  O     18.20509237      7.12524079    -17.49193046
  H     14.01457724      5.09063949    -14.00157448
  H     18.00283807      5.28791840    -10.52824910
  O     16.79282977      5.83565380    -15.45188331
  H     16.60943277      7.42861406    -12.84705831
  H     16.88415677      4.61068029     -9.71757003
  O     15.65051287      3.13554102     -9.86756532
  H     17.95798789      8.01254125    -13.35360742
  H     14.80236338      7.31408724    -18.14250659
  O     20.58435426      5.00742173    -14.47760935
  H     16.92924676      4.05278941    -15.38169628
  H     14.01979584      6.16304596    -17.48669683
  O     16.47503277      3.39093265    -12.55215821
  H     16.76025676      2.95919596    -14.31353866
  H     14.56464929      6.91987542    -12.83683883
  O     17.36293221      5.44258142     -9.82291384
  H     13.71237932      5.03720366    -11.27562439
  H     14.96694270      7.82950429    -11.65733315
  O     14.31517502      6.50533069    -18.33994244
  H     14.15588468      5.86329094    -10.05760971
  H     19.09381964     10.26073233    -13.88331242
  O     14.88475636      7.80812920    -12.62039401
  H     19.48057111      7.49286191    -16.25542366
  H     19.15820376      8.92932040    -14.67232455
  O     18.56448026      9.52558969    -14.17899974
  H     20.24000125      6.81094097    -15.09219847
  H     15.76188802      9.59022341    -18.10478940
  O     15.92426944      8.76381873    -17.65659929
  H     15.55624384      2.65362262    -16.31711469
  H     15.82027872      8.94063207    -16.70494671
          69
 Energy    -249.11722467126282     
  O     -4.42451069      5.64065321     -3.33301783
  H     -3.66270909      5.15845098     -2.95713476
  H     -7.63649140      5.18784109      0.68534462
  O     -3.02328455      2.07360741     -0.63977795
  H     -4.28313002      5.69160138     -4.27389474
  H     -3.55061681      9.32118790      1.71066348
  O     -3.04159237      6.73557633      3.40855771
  H     -3.95370575      1.82565487     -0.68995878
  H     -2.45174888     10.09193289      2.48109779
  O     -5.74793750      4.74751504      6.02535069
  H     -2.78909287      2.02570742      0.29477896
  H     -6.37140953      1.03182975     -1.14121438
  O     -7.22014980      7.95575413      1.93758765
  H     -2.66138046      6.11548685      2.76932736
  H     -6.05724492      2.54168572     -1.05573580
  O     -5.02772642      9.31267057      0.80544634
  H     -2.86752255      7.62296679      3.07172795
  H     -2.41533260      3.26023763      1.99740363
  O     -2.41284599      4.32956775     -2.13906460
  H     -6.23934651      4.65784569      6.83728212
  H     -2.49004253      2.23069436      3.14545855
  O     -2.13709635      4.94944112      1.50289063
  H     -5.66311473      3.85275544      5.64868510
  H     -2.56035492      7.95459958     -0.71549742
  O     -5.78751030      6.42905292      3.80098591
  H     -8.00669126      8.31385986      2.34382355
  H     -1.88525546      8.51117882      0.54987401
  O     -5.28319864      2.29850589      4.95373199
  H     -6.76405955      7.45133002      2.63003429
  H     -5.72531764      4.68155372     -2.37738625
  O     -2.90337654      4.97140985      5.60499900
  H     -5.82861876      8.93333129      1.18814817
  H     -6.81794657      4.79859917     -1.25479775
  O     -7.80689529      5.77130915     -0.07054995
  H     -4.85893148      8.81234296     -0.00462504
  H     -1.79041359      1.99108643      5.62937958
  O     -2.69099835      9.22634879      2.16074731
  H     -1.69247072      4.77853853     -1.68370351
  H     -2.50123272      3.30598249      5.22940319
  O     -5.88276294      1.68015121     -0.64012205
  H     -2.57648624      3.50630491     -1.65592994
  H      0.48569541      5.82896673     -0.74702593
  O     -2.67750150      2.35094462      2.20688967
  H     -2.99124689      5.01442213      1.04406079
  H     -0.82004609      6.63094583     -0.51359738
  O     -1.69830823      8.10058515     -0.30170144
  H     -1.45348846      5.15928145      0.85617778
  H     -6.33134515      3.57516282      2.22155618
  O     -6.19283535      4.19536222     -1.68734030
  H     -5.85610726      5.95399366      4.63951698
  H     -6.45683371      5.02089539      2.81875110
  O     -2.42269534      2.35838176      5.01767054
  H     -4.84354758      6.56470749      3.63367394
  H     -4.47993033      2.12356406      2.15160386
  O     -0.44857841      5.73250942     -0.58613137
  H     -5.49094549      2.06696154      4.03979448
  H     -5.68104438      1.77875800      1.23830967
  O     -6.75103067      4.43824707      2.10732583
  H     -4.32926287      2.17599022      5.04261881
  H     -4.91932920      4.74687232     -0.37290091
  O     -5.44142788      2.00250826      2.14581231
  H     -2.83568283      5.64906937      4.91945081
  H     -5.32172437      5.06702244      1.06591203
  O     -4.61606678      5.20173499      0.42248829
  H     -3.82470136      4.97913631      5.89105741
  H     -4.42268541      6.77253455     -0.51548168
  O     -4.30020264      7.47478832     -1.17169204
  H     -7.67046689      6.65046623      0.29299958
  H     -4.38320001      7.04044083     -2.02781364
          69
 Energy    -249.11702626290560     
  O     11.86055835     10.58411213    -13.11505054
  H     11.23652641     11.30656325    -13.11579704
  H     15.06625563      7.07594249    -15.60156927
  O     15.47213573      7.13369265    -13.84539019
  H     12.23250276     10.54268252    -14.01150675
  H     20.11474723      6.72787258    -15.37359160
  O     18.13562733      9.49088029    -11.49011989
  H     16.33358987      6.97385969    -13.43795409
  H     18.75447678      7.38856171    -15.69388189
  O     17.61484203     11.22541526    -15.29321053
  H     14.80955020      7.08843628    -13.14272712
  H     14.55891494      9.97087782    -14.80861109
  O     11.98755500      7.44994685    -16.02428832
  H     18.10855875      9.26946675    -10.55100043
  H     15.48835536      8.90633388    -14.17408864
  O     14.97605716      8.73617800     -8.77776126
  H     17.40870130     10.10975851    -11.64545708
  H     17.54553968      6.88993784     -9.56958301
  O     13.66189710      7.25064222    -11.76423186
  H     18.36742977     10.80534274    -14.84681285
  H     17.53619447      6.21959778    -10.95754125
  O     15.99665750     11.19323152    -12.04271539
  H     16.82247969     10.73413994    -15.03030225
  H     12.14659101      7.40593476    -12.79485091
  O     17.45217417     10.40883908    -17.89061220
  H     11.22041187      7.14109469    -16.49931693
  H     11.40053872      8.67909484    -13.21669524
  O     14.61555928      5.97267181     -9.48061120
  H     11.75914876      7.42815418    -15.07788501
  H     19.62526705      9.01229105    -14.27579737
  O     17.57802465      7.71042555    -16.93191198
  H     14.73126201      7.80981847     -8.89703718
  H     19.22183933      9.81142100    -13.01437365
  O     14.79315530      7.19191153    -16.52479962
  H     14.46689424      9.23562356     -9.42814217
  H     18.00383057      7.84915542    -12.25470443
  O     19.41368066      7.24854171    -14.99077495
  H     13.73709054      8.17857866    -11.49814745
  H     18.51595900      6.93894274    -13.40584126
  O     15.39038569      9.85401988    -14.33570718
  H     13.90885074      6.71533389    -11.00037009
  H     16.72888872      8.77053981     -8.78027243
  O     17.25921283      6.09684570    -10.03981130
  H     16.37839943     12.02839132    -12.34381462
  H     18.05477749      8.92238354     -7.99704628
  O     11.45450004      7.73158836    -13.38717688
  H     15.72625532     10.71936640    -12.84627597
  H     14.74804018      8.91990102    -17.36093402
  O     19.56007514      9.90518592    -13.91480431
  H     17.97925454     10.92248268    -18.49663881
  H     15.55947493     10.12686934    -17.85983812
  O     17.94108473      6.95775444    -12.63036138
  H     17.57360676     10.79999725    -17.00841559
  H     13.05861331     10.23885439    -11.65833133
  O     17.69592588      8.67208584     -8.84404309
  H     15.56664199      5.92697329     -9.68842538
  H     14.54037992     10.46568250    -11.28017450
  O     14.66162626      9.83103681    -17.67434734
  H     14.40306472      5.19158500     -8.97778883
  H     17.40595280     12.68042410    -14.14505507
  O     13.74921733      9.95726060    -11.04642275
  H     17.57909837      8.58359392    -17.34260135
  H     18.00584343     13.82070438    -13.31017479
  O     17.23064909     13.27053517    -13.39562755
  H     16.65773122      7.42184303    -16.91133805
  H     13.44607909     10.25871624    -16.43428051
  O     12.89194950     10.12026794    -15.65000207
  H     13.83052092      7.13527908    -16.50201696
  H     12.50342397      9.24391657    -15.77566310
          69
 Energy    -249.11680423071869     
  O     16.44125010      5.18537239    -12.63500985
  H     15.54020525      4.86993504    -12.77179956
  H     19.37504465      7.80237445    -13.33265627
  O     12.99444275     10.74727266    -11.97591157
  H     16.90017885      5.18418079    -13.48970877
  H     15.95316560     10.29744731    -15.02867129
  O     15.65235852     11.88128154    -12.32923892
  H     13.82484981     11.23039247    -12.05828081
  H     15.39490167     11.44874178    -14.16914736
  O     12.18888485      7.38112666    -17.42996899
  H     12.84770234     10.32247188    -12.83300028
  H     14.91018425      8.02462815    -11.94959339
  O     16.00504460      6.38863219     -8.89662465
  H     16.17794880     11.21299608    -11.86100126
  H     15.92707344      6.96344361    -12.48232792
  O     13.46615322      6.71282361    -14.94159294
  H     15.93550718     12.73006943    -11.99678220
  H     13.50758756      6.63145948    -10.43726451
  O     12.98802613      9.45119204    -14.46948383
  H     12.98329880      7.53265116    -17.95796593
  H     13.63204268      5.31110023    -11.21901473
  O     14.11236484     10.62849847    -17.56896302
  H     12.49494807      6.99283838    -16.60040667
  H     18.67446111      4.76004259    -10.39604017
  O     17.74930655      5.45229928    -15.00555974
  H     15.22988322      6.01940371     -9.34632630
  H     17.54834578      5.33050302    -11.29029582
  O     16.91632187      8.83613846    -14.77343079
  H     16.77990486      6.06907918     -9.37155085
  H     13.55658609      5.42303432    -13.72172793
  O     15.81303198      6.93332188    -16.44069429
  H     14.29753667      6.71361972    -15.43814527
  H     13.18825033      3.96979027    -13.35120540
  O     19.42101849      7.70420983    -14.30081484
  H     13.30774892      7.62295213    -14.65423181
  H     16.62716769      9.66243764    -10.12027859
  O     15.27896968     10.99449242    -15.01183286
  H     12.35338032      9.66036474    -15.16680831
  H     16.59380778      9.11547352    -11.56199193
  O     15.68330356      7.89682320    -12.51546246
  H     13.79093901      9.95210599    -14.67187926
  H     18.55626315      8.70966288    -11.31375793
  O     13.72869609      5.69373238    -10.34093830
  H     13.17382469     10.56361910    -17.35136428
  H     18.84576704      7.19455169    -11.17415100
  O     18.15714977      5.54450816    -10.56141239
  H     14.55808549     10.90960056    -16.75934835
  H     15.53012555      9.28413978     -7.75282514
  O     13.71025275      4.71751571    -13.07097616
  H     18.40403157      6.14191030    -14.83916723
  H     15.82610866      8.07322785     -8.67241613
  O     16.98266281      9.81022975    -11.00725568
  H     17.11754736      5.82319972    -15.63633349
  H     14.88580023      8.28693506    -19.57775278
  O     19.12892157      7.99976716    -11.62644807
  H     17.83783860      8.56725497    -14.67658065
  H     14.52223246      9.09873573    -18.31108372
  O     15.66006758      9.03512626     -8.66329845
  H     16.44362783      8.51537644    -13.98833718
  H     13.32106070      9.27551245    -11.03563840
  O     14.65637603      8.19788674    -18.65674201
  H     15.50311879      7.29987818    -17.27788484
  H     14.24682140      8.73337700     -9.90971693
  O     13.68222028      8.46659594    -10.64564863
  H     16.21209291      7.66328806    -15.94336097
  H     11.59462944      8.99631870    -17.06197665
  O     11.44699332      9.91553136    -16.77523326
  H     20.32026759      7.89394696    -14.55395384
  H     10.54330720     10.13205660    -16.98640523
          69
 Energy    -249.11659186966938     
  O     -2.95521300     -0.72453632      3.40417632
  H     -3.09835395     -0.53978221      4.34118002
  H     -2.80969675     -3.91647596      5.77131165
  O     -2.96991877      2.60371015      5.59513831
  H     -2.47272755     -1.56240796      3.33667690
  H     -1.97504243     -2.74539821      7.86724871
  O      1.51434798     -0.59500627      2.06223414
  H     -2.47773310      2.92532652      4.82913697
  H     -0.51117599     -3.13646116      7.58326343
  O      2.54933337      1.99828712      2.56277662
  H     -2.41836412      2.81025471      6.36032016
  H     -0.04261222      0.06782256      6.98352281
  O      0.59410149     -1.09389910     -0.54385790
  H      1.29340345     -0.79379812      1.14444571
  H     -0.81008610     -0.84793164      7.98188368
  O     -1.36355660     -2.95028334      3.11378922
  H      0.75157457     -0.13272271      2.44541231
  H      1.08665272     -4.77394658      6.36625411
  O     -1.62191888     -2.31617318      0.38067071
  H      2.37036382      1.07925599      2.32487414
  H      0.75629080     -3.53469447      5.50995256
  O     -3.23897481      0.02957492      0.79655122
  H      1.88678339      2.52717800      2.10199089
  H     -0.97146090      1.81293109      7.84487060
  O     -1.06362379      3.37130442      3.60252217
  H     -0.18239991     -1.61606956     -0.27028875
  H     -1.24165996      3.08373933      8.68007390
  O      0.43042951      3.39737480      1.20840872
  H      0.93585121     -1.49827935     -1.33608241
  H     -4.53506550     -2.74652754      7.31492306
  O      1.18056011     -2.27692440      4.26476455
  H     -0.49664037     -2.71094785      3.46212076
  H     -3.59214362     -1.73709612      6.62748846
  O     -2.25246704     -4.46217617      5.20231240
  H     -1.75063956     -3.58144142      3.73888243
  H     -0.71913471      1.61634756      3.50126674
  O     -1.06827652     -2.60868825      8.16851415
  H     -2.27554195     -1.60751861      0.42366129
  H     -1.38463927      0.21285857      3.44075011
  O     -0.75425125      0.05585766      7.64128451
  H     -1.54013420     -2.66585023      1.27850870
  H      0.11557947      3.51154884      6.50305518
  O      0.41648537     -4.11188344      6.21219788
  H     -3.24536960     -0.16706108      1.74853764
  H      1.40565577      3.34541116      5.65710685
  O     -1.08756777      2.77619665      7.79021891
  H     -4.13616158      0.24849065      0.55719152
  H      3.79870583      2.41824029      5.43631593
  O     -3.66786046     -2.65763170      6.92654309
  H     -0.61587917      3.55185487      2.76748508
  H      2.81525002      2.18111339      4.26488307
  O     -0.53595885      0.66752705      3.47865464
  H     -0.46290579      3.64238785      4.31650128
  H     -0.29221085      0.57661045     -0.30965628
  O      0.58395595      3.84567116      5.72774030
  H      0.56587807      4.08976189      0.56673547
  H     -1.66900014      0.97827630      0.25180569
  O      2.88901627      2.21614147      5.23638360
  H     -0.02582746      2.67224517      0.74457631
  H     -2.28188041     -0.09440268      6.61032720
  O     -0.81708368      1.33511171     -0.02687964
  H      1.19614638     -1.52874354      4.88024280
  H     -3.24480667      0.85875634      5.88633959
  O     -3.10120612     -0.07661644      6.09666168
  H      1.47389612     -1.89775347      3.42520788
  H      0.47477252      0.35588048      4.89925661
  O      1.07843717      0.12813972      5.62502478
  H     -1.38375079     -4.48844991      5.62369289
  H      1.79112884      0.77796674      5.60186391
          69
 Energy    -249.11585479379619     
  O     17.74487421      9.81553741    -15.21965930
  H     17.80862229     10.70793454    -15.58023153
  H     13.72265351     10.15744312    -10.73660715
  O     13.56174596      8.24875744    -10.64770165
  H     17.33967728      9.90056597    -14.33943718
  H     19.96834382      5.61442481    -13.28387074
  O     17.86241980     12.52160210    -15.88820635
  H     13.28367340      7.94265831    -11.52982013
  H     19.33949119      6.04948888    -11.94373322
  O     16.02895850      7.70596644    -15.73127405
  H     12.95558718      7.86253731    -10.02052960
  H     15.94477839      6.92014816    -12.15245325
  O     19.82151723      8.74926325    -13.71998458
  H     18.18584236     13.01549632    -16.63643870
  H     15.33520129      7.76546154    -10.99881800
  O     20.40546684     11.12705864    -12.30415592
  H     18.40934183     12.78043603    -15.12180033
  H     21.24981612      6.07859192    -15.54154419
  O     18.90497482      7.82345715    -11.23603940
  H     15.15231902      8.10749524    -15.76767129
  H     19.70854614      6.16514778    -15.41708134
  O     13.04090585      7.29651015    -13.14403251
  H     16.65883359      8.43660321    -15.64178752
  H     16.46885417     13.82882382    -12.77812000
  O     15.65148359     13.30367252    -14.22927563
  H     19.16387972      9.12317231    -14.32293385
  H     16.79620208     14.93073416    -11.74224282
  O     13.48473600      9.00069601    -15.42653259
  H     20.19916626      7.98162665    -14.16552396
  H     17.81494476      5.06426276    -15.39313980
  O     14.14286617     10.96937044    -13.65428932
  H     20.02728552     10.92078652    -11.44274671
  H     17.38985359      6.38029755    -16.08197700
  O     13.83722653     11.09858497    -10.91993754
  H     20.34798191     10.31088811    -12.81841984
  H     16.39440792      9.05788075    -12.39130105
  O     19.45085709      5.29480681    -12.53322420
  H     17.94780454      7.67246586    -11.24357408
  H     16.64414126     10.56086036    -12.10889742
  O     16.16413625      7.53309535    -11.43535925
  H     19.16175793      8.16010352    -12.10852835
  H     19.69212644     12.50843834    -13.19488857
  O     20.54723361      6.35002053    -14.95740008
  H     13.03788075      7.86674223    -13.92115044
  H     18.57767377     13.56813671    -13.02244570
  O     17.01230773     14.03744041    -11.99623910
  H     13.76498360      6.67223491    -13.29179812
  H     17.50142658     11.24425748    -10.28616202
  O     18.11264972      5.74530949    -16.00966695
  H     16.29512504     13.03132158    -14.89499152
  H     16.87650910     12.48653688    -11.01125157
  O     16.54076588      9.91136794    -12.81737629
  H     15.02807278     12.57400209    -14.12720553
  H     15.70343024      6.56185843    -14.34969321
  O     19.19664060     13.19793427    -13.66135819
  H     13.64741454      9.76714936    -14.84989459
  H     16.04851614      5.21203327    -13.65415335
  O     16.68584735     11.60826273    -10.65304950
  H     12.84280841      9.27797203    -16.07564115
  H     19.02475446      9.35172428    -10.27563505
  O     15.47454328      5.98598601    -13.60521520
  H     13.79132543     11.13218946    -12.76743567
  H     19.53246711     10.16110878     -9.06382737
  O     19.05842457     10.24208161     -9.88820442
  H     15.00408500     10.55773670    -13.48407042
  H     18.13778848      4.42127464    -13.28552992
  O     17.42664627      4.01809953    -13.81553234
  H     14.74868556     11.30678390    -10.67810587
  H     17.49061992      3.07497018    -13.69405420
          69
 Energy    -249.11530095512751     
  O     11.47049185      5.08619382    -13.88255340
  H     10.72968657      4.86859303    -14.44322666
  H     19.40245575      7.59072267    -14.47352559
  O     17.06584510      6.60029062    -12.74362436
  H     11.99452101      5.74983018    -14.35992155
  H     15.05039315     10.99259713    -15.19008697
  O     17.00181717     10.41204536    -11.53612528
  H     17.99950355      6.77480525    -12.92304295
  H     16.48441820     10.62784226    -15.76547907
  O     18.23602097     10.47137936    -15.47034107
  H     16.59306683      7.39313149    -13.04515771
  H     15.90711254      9.31515967    -14.32231563
  O     13.82251368      3.54744197    -13.23884790
  H     16.59933742      9.85418644    -12.22029644
  H     14.84080579      8.90758591    -13.29304699
  O     14.06132724     10.16479170     -9.55306272
  H     16.39486217     11.15205212    -11.40420895
  H     11.43963091      5.40584950    -12.00008959
  O     15.56152852      6.53706663    -10.45627838
  H     18.51951529      9.62033352    -15.83106357
  H     12.30992311      4.99434956    -10.79605166
  O     13.97451645     11.59583438    -13.85351441
  H     18.67349262     10.54739059    -14.61540286
  H     16.85698492      9.39012187    -10.03832744
  O     16.53163094      6.74862942    -16.71906116
  H     13.93320057      3.67729215    -12.28875163
  H     17.34401014      8.98511625     -8.62826867
  O     18.96051203      7.85624313    -16.29627440
  H     12.95552429      3.91203185    -13.45523925
  H     14.62130222      4.99296616    -10.39296347
  O     15.44441051      5.30720537    -14.57942861
  H     13.53323816      9.43508581     -9.90513616
  H     14.28567570      3.63787570     -9.73459296
  O     19.51832712      7.55970795    -13.51434442
  H     14.87395725      9.75569928     -9.23408434
  H     20.06889148     10.98474982    -12.47948907
  O     15.53632274     10.43557636    -15.81696093
  H     16.12545601      6.46579411    -11.24177174
  H     18.62473099     10.46112804    -12.30834800
  O     15.79087439      8.88208798    -13.46876046
  H     15.94487380      7.23499304     -9.91219217
  H     14.68876065     13.03952616    -10.76603408
  O     11.57889622      5.56825036    -11.05860694
  H     14.27818618     11.90149891    -12.99200008
  H     14.49189316     11.51654647    -10.58234600
  O     16.63106329      8.86731968     -9.25139669
  H     13.47337905     10.78743593    -13.67354070
  H     13.42907464      7.41105331    -15.84698353
  O     14.04904281      4.21159333    -10.45950594
  H     15.78105753      7.29364664    -16.97992110
  H     13.99445573      6.36091066    -14.86070424
  O     19.42909149     10.37888123    -12.84546341
  H     16.19482411      6.12544022    -16.06105328
  H     12.39719184      7.13829069    -10.78235832
  O     14.88913831     12.19411356    -11.15901995
  H     19.53383646      7.58544269    -17.00857028
  H     13.91504925      7.41648942    -10.68965278
  O     13.20559829      6.88445111    -15.06927994
  H     18.09695404      7.43774893    -16.46148240
  H     12.96283390      8.27120777    -13.87417459
  O     13.05324435      7.84927287    -10.74616151
  H     14.96522782      4.57277039    -14.17010314
  H     12.91968999      8.63232234    -12.35895294
  O     13.03035073      9.00253990    -13.24590861
  H     16.07237911      5.64083533    -13.92429795
  H     14.69522752      9.20962820    -16.70806664
  O     14.25652435      8.45738811    -17.14476305
  H     19.59736975      8.47946723    -13.23567286
  H     13.92890722      8.77898098    -17.98046169
          69
 Ord_Energy   -249.115280    
 O   -11.3300095      -2.43123817       1.80790532    
 H   -11.9934940      -3.08129215       1.59350204    
 H   -11.0269861      -2.62640953       2.71316123    
 O   -7.02304459      0.925858855       2.65074277    
 H   -6.61365652       1.77287889       2.86797476    
 H   -7.25533581      0.484724969       3.47754884    
 O   -10.3541336      0.115535401       4.97034121    
 H   -10.3323355       1.02420390       5.29731655    
 H   -10.6332054      0.172991246       4.04410934    
 O   -6.71838713       3.95135975      0.690609694    
 H   -7.67888021       4.05009127      0.689127564    
 H   -6.50749874       3.33155012      -1.76100899E-02
 O   -3.27688265       2.13498116       2.88421607    
 H   -3.41556430       1.88479292       1.95334291    
 H   -2.40555811       2.51906228       2.93781543    
 O   -6.03292322       2.01385331      -1.34616947    
 H   -5.98106289       2.17614460      -2.28551793    
 H   -6.47398138       1.15663016      -1.24197316    
 O   -7.68076468     -0.451168120       4.95592976    
 H   -7.15845776      -3.63837406E-02   5.65201235    
 H   -8.61153889     -0.210536033       5.06591606    
 O   -7.30908918       3.08981419       5.52427244    
 H   -6.79803896       3.33185172       4.73989296    
 H   -6.78911543       2.41767550       5.98036098    
 O   -10.9630919       3.10953617       2.87646794    
 H   -11.2205086       2.19753194       2.68871999    
 H   -10.6372766       3.11181736       3.78454256    
 O   -10.3022470      -2.73333955       4.31498384    
 H   -10.3619337      -1.87366462       4.74893618    
 H   -9.36261082      -2.93349838       4.22546721    
 O   -11.1144695      0.325346947       2.29217410    
 H   -10.3714609      0.556827545       1.71480370    
 H   -11.3566265     -0.579712689       2.06274509    
 O   -5.80316734       3.36651039       3.19382501    
 H   -4.88760996       3.06793690       3.13490629    
 H   -6.06855679       3.68669248       2.31697416    
 O   -8.97092628       1.15770364      0.758022010    
 H   -8.29676056       1.11779141       1.45641518    
 H   -9.15866089       2.08972573      0.596350670    
 O   -4.13609266       7.91429803E-02   4.69236279    
 H   -4.27883053     -0.760942221       4.24179602    
 H   -3.80997324      0.709921598       4.03902531    
 O   -3.81715560       1.31285357      0.366973966    
 H   -4.42409277       1.70124233     -0.271720260    
 H   -4.23184156      0.474706769      0.621272802    
 O   -5.86434126      0.879714012       6.60432911    
 H   -5.19132614      0.614309549       5.95052671    
 H   -5.48605013      0.730150282       7.46618366    
 O   -7.44758940      -2.82599783       3.62984848    
 H   -7.78029871      -2.68954015       2.72779727    
 H   -7.52156210      -1.98518169       4.10924006    
 O   -5.38047647     -0.783246517       1.24879050    
 H   -5.93293095     -0.174660146       1.76582408    
 H   -5.08285904      -1.46460664       1.86045802    
 O   -9.99884605       2.85042906       5.55101395    
 H   -10.3242273       3.40845728       6.25258589    
 H   -9.03147602       2.96324134       5.53131294    
 O   -7.30529451     -0.435627609     -0.743898630    
 H   -6.61265612     -0.674178898     -0.108183831    
 H   -7.96754694       9.38229412E-02 -0.270157248    
 O   -4.73879433      -2.46523762       3.40853834    
 H   -5.67406321      -2.70392013       3.52852416    
 H   -4.23728085      -3.27138352       3.49983764    
 O   -9.56176567       3.91372919      0.701256812    
 H   -10.1343670       4.44620037      0.155383095    
 H   -10.0576925       3.72258639       1.51753092    
 O   -8.53125858      -2.44068241       1.12004232    
 H   -9.49477863      -2.41135931       1.15990365    
 H   -8.26313591      -1.92855573      0.352509260    
          69
 Energy    -249.11481847428013     
  O     15.84817199      8.91998701    -17.34848576
  H     16.64162256      8.70975903    -16.84494734
  H     15.47391872     10.64463190    -17.69682451
  O     15.13243142      9.00355476    -11.58348557
  H     15.13464093      8.42472437    -16.92393034
  H     12.29288305     12.56583610    -17.59532240
  O     17.47717940     14.77133710    -12.50010490
  H     15.71342446      9.74426632    -11.36178421
  H     13.73885243     12.10735948    -17.27175824
  O     13.90200014      7.77346483    -15.66244044
  H     15.48974744      8.57357148    -12.37157859
  H     18.74388715     11.84929483    -13.46133454
  O     13.79019817      6.80002155    -10.53687768
  H     16.75738222     14.50752284    -11.90636279
  H     18.50914641     13.12059540    -12.61435526
  O     14.91027926      5.24705415    -12.45861965
  H     17.86951215     15.55403774    -12.11843076
  H     13.37718870     13.26868669    -12.94675267
  O     15.63906534     11.35194825    -14.03855697
  H     13.33995233      7.14402226    -15.18829393
  H     12.97121686     12.06918787    -12.04753135
  O     12.68396539     10.15269304    -12.28402607
  H     13.55992435      8.65900351    -15.47095682
  H     18.63886081      7.68714313    -15.58339988
  O     15.95981166      7.47542143    -13.82792335
  H     14.31538526      7.59436432    -10.71500887
  H     17.34124093      8.04165434    -14.82397945
  O     18.21209766     11.14065370    -15.08771662
  H     12.89387027      7.02198286    -10.81717595
  H     12.08925973      6.62835779    -13.24838088
  O     13.23915634     10.34713727    -14.97117396
  H     15.14469572      4.37349911    -12.15796415
  H     13.28819288      5.68784477    -13.46902890
  O     15.26914421     11.58743085    -17.78684484
  H     14.53383872      5.71718268    -11.69283842
  H     15.22237629     14.19321853     -9.88549359
  O     12.88570329     12.37180596    -16.87575401
  H     15.83267268     11.32942691    -13.09410155
  H     14.63291881     13.59403328    -11.18370418
  O     18.82082793     12.20886143    -12.56610434
  H     16.49018911     11.28737511    -14.48926216
  H     15.68884780     14.47325597    -15.10898635
  O     13.26780072     12.98626754    -12.02826498
  H     13.53361482      9.79046342    -11.99039408
  H     16.98869901     14.73975419    -14.33797816
  O     17.98499970      8.37311362    -15.47231208
  H     12.73224843     10.21514095    -13.24987329
  H     17.43901949     11.52246145    -11.67192825
  O     12.55610332      6.12128059    -13.92381515
  H     15.25746737      7.60750452    -14.48335281
  H     16.18843281     12.13025545    -10.98036681
  O     15.46140193     13.86975685    -10.75012565
  H     15.75429265      6.64609402    -13.37733753
  H     13.59155646     13.32638992    -15.42375568
  O     16.63081836     14.65397042    -15.22926635
  H     18.14131454     11.66871936    -15.89334709
  H     14.69667934     12.85658811    -14.44713193
  O     16.55470702     11.31235984    -11.33406897
  H     18.22900735     10.20292471    -15.31733859
  H     11.74503638      8.63341026    -11.96466258
  O     14.10331621     13.59772934    -14.65123811
  H     14.13042158     10.61733130    -14.69736057
  H     10.48669221      7.83738101    -11.55817531
  O     11.39883020      7.73793260    -11.81938882
  H     12.95473276     10.97947182    -15.64140759
  H     18.18343813     13.48751521    -17.73962013
  O     17.66937829     12.99357903    -17.10662054
  H     16.08967880     12.06811947    -17.63686405
  H     17.32396603     13.63615724    -16.46033473
          69
 Energy    -249.11480342503268     
  O     -4.76163969      9.89133346     -7.46664515
  H     -4.81857461      9.18822689     -6.80391331
  H     -1.59466408     11.38837663    -11.92806035
  O     -3.86369095      9.44425260    -13.29074883
  H     -5.22030661      9.56250380     -8.25608523
  H     -0.15654292      8.25043045    -10.79678679
  O     -6.02777512      9.27256321     -9.84009160
  H     -3.71699081     10.11135770    -12.60397622
  H     -0.74948030      7.86903893    -12.16277059
  O     -8.12806147     11.32966222    -12.02243550
  H     -2.98806614      9.19348608    -13.60800957
  H     -7.95782417      6.93499119    -12.22210451
  O     -7.95516919      7.76400477     -6.22029030
  H     -6.98650330      9.17466597     -9.78723722
  H     -6.45137462      7.03092216    -12.50519157
  O     -6.33717496     12.11869666     -7.64262687
  H     -5.87328759     10.16743060    -10.17067021
  H      0.70748181     10.03657103     -9.03153812
  O     -7.32521758      6.32076708     -8.58518417
  H     -8.70736949     11.86735172    -12.55517865
  H     -0.77886734      9.84634587     -9.41035533
  O     -1.11543906      8.93631464    -13.74190919
  H     -7.61311259     10.77409111    -12.63854158
  H     -6.09604393      7.66860578     -5.90141691
  O     -4.85636568      7.48251641    -11.59254339
  H     -8.14476728      8.64917287     -6.57853622
  H     -4.87159834      6.99197403     -6.55312446
  O     -6.69744924      9.73302447    -13.61255427
  H     -8.63020052      7.58182888     -5.57191925
  H     -7.84436227     10.89958297     -7.41015973
  O     -4.53160737      5.81461014     -8.01306846
  H     -5.71322671     11.39208256     -7.46845116
  H     -8.73295672      9.97498086     -8.27010862
  O     -0.69900709     11.14257970    -12.19726320
  H     -6.15179770     12.80081923     -7.00182511
  H     -6.14247807     12.20115644     -9.53107743
  O     -0.56346579      7.52221183    -11.28160521
  H     -7.58269305      6.76798794     -7.76870786
  H     -6.70689891     11.94282443    -10.97082331
  O     -7.31998472      7.12140414    -12.92038415
  H     -6.38515495      6.12862584     -8.49879579
  H     -9.71052531      6.08870965    -10.62728596
  O      0.12316354      9.89011222     -9.77087931
  H     -0.58547820      8.92596335    -14.53470271
  H     -8.39930374      6.52572019     -9.93056040
  O     -5.12990353      7.67982146     -5.92583864
  H     -0.90330253      9.76312641    -13.27214766
  H     -9.03614360      8.57287632    -10.33731129
  O     -8.47071635     10.17018141     -7.35845673
  H     -5.31893914      8.05331356    -10.95982487
  H     -8.71753437     10.05245614    -10.76328739
  O     -5.89749514     12.02104030    -10.44809233
  H     -4.48021890      8.07438010    -12.25986625
  H     -2.64283702      8.67733544     -9.31563773
  O     -9.01916219      6.74488743    -10.65024591
  H     -6.99215535      8.81947728    -13.47799083
  H     -3.17533345      9.78975847     -8.37379636
  O     -8.83511027      9.45951274    -10.01025670
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  H     -3.53847515      7.02354017    -10.52812814
  O     -2.51899980      9.60179234     -9.05642094
  H     -4.27616963      4.90548034     -7.87183008
  H     -1.99414818      6.97512666    -10.33861741
  O     -2.83674838      6.93331712     -9.86406447
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  H     -3.09060279     10.68482056    -10.46024237
  O     -3.34629107     11.23446645    -11.21406478
  H     -0.26563923     10.83151362    -11.39219008
  H     -4.17262558     11.67734018    -10.98217873
          69
 Energy    -249.11468717515098     
  O     17.94164428      9.19811548    -11.99086255
  H     18.24257321      8.99279669    -11.09634309
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  H     12.15936843      8.23775567    -14.25444978
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  H     11.63370855      6.78739317    -12.25053638
  H     12.05135983      9.50424437    -13.38103623
  O     11.92737358      6.38503059    -14.07725429
  H     11.49257512      8.04368547    -11.36526677
  H     17.29017806      4.21887874     -8.70991119
  O     17.95915194      6.74627912    -13.27329852
  H     17.61298608     11.99732021    -13.37097396
  H     16.85540736      5.65744559     -9.05616659
  O     18.58102391      8.36869560     -9.41785000
  H     18.35440571     10.86550195    -12.62597594
  H     13.35283692      6.89818630    -10.90628068
  O     17.58279910     10.84248198     -8.52487715
  H     11.38718750      5.80549095    -14.60786354
  H     14.61471309      7.71960137    -11.31030183
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  H     12.84406319      6.06962565    -14.16568614
  H     18.83057105      5.56285381    -10.33870976
  O     14.51551228      5.60774981    -14.33730335
  H     18.00460707      7.61028890    -12.83533416
  H     19.20549902      6.20127388    -11.68998340
  O     15.86238880     12.29836768    -14.09090662
  H     17.30143929      6.20982684    -12.80717962
  H     15.40781928     12.66866234    -12.25879658
  O     16.41501136      7.46867862    -15.43371442
  H     19.08705318      7.63955328     -9.80432718
  H     16.13979620     12.91169884    -10.92562427
  O     14.94880824      9.79239501    -14.71296767
  H     17.72351313      7.99629028     -9.16958208
  H     15.02896219      9.43274103    -12.92271344
  O     12.36320517      9.18157832    -14.23526568
  H     17.76371836     11.55538347     -9.14942081
  H     14.73781568      9.84986665    -11.43604148
  O     17.28135281      4.86246666     -9.41460913
  H     18.12493596     10.08711360     -8.78782914
  H     18.52549147     13.68787827    -10.27054234
  O     14.31591481      6.92936782    -10.83560407
  H     15.72122310      8.09520430     -8.30817329
  H     18.21304667     12.55120712    -11.27234959
  O     19.48560261      6.12568446    -10.77171749
  H     15.38638098      7.11652388     -9.44169006
  H     14.16200610     10.50806429     -9.40928951
  O     15.26461486     12.78143356    -11.31109724
  H     15.02493919      5.26006878    -13.59476627
  H     14.23709204     11.60193366    -10.53515399
  O     15.21206818      9.22414904    -11.99837514
  H     15.10499783      6.21220172    -14.80303100
  H     16.48083500      4.79940593    -11.20268595
  O     17.97239480     12.92286002    -10.40496261
  H     15.53711526     11.42802928    -14.37492676
  H     15.34673791      5.74284360    -11.61689228
  O     13.76150083     10.81020282    -10.23320746
  H     15.66426417     12.90583842    -14.79966405
  H     16.01678388     10.29380945     -8.10706086
  O     16.03106349      5.15468298    -11.97621464
  H     17.03918891      7.22437450    -14.72945042
  H     14.91319535     10.13980798     -7.03226309
  O     15.14805999      9.88990452     -7.92241387
  H     16.86435582      7.31065260    -16.26083323
  H     12.27996613     10.27754493    -11.06848228
  O     11.53090155      9.94977546    -11.59295708
  H     14.00032068      9.58523336    -14.67493503
  H     10.79427741     10.52544126    -11.40119500
          69
 Energy    -249.11445999082378     
  O     -6.41953575     -2.43717800     -0.70317231
  H     -5.58525986     -2.91068306     -0.83210155
  H     -4.34902608      0.48342211     -6.43845173
  O     -3.69195257     -2.30019427     -7.92659501
  H     -6.30525522     -1.58336952     -1.13487487
  H     -2.26025451      0.42583170     -5.97516413
  O     -2.08276716     -2.81807549     -4.42169139
  H     -3.75567861     -3.03249658     -7.29656299
  H     -2.30901529      1.94059066     -5.66014285
  O     -5.97872081     -6.16120272     -1.39824310
  H     -4.29198461     -2.50977516     -8.65247599
  H     -6.60103301     -0.50523503     -7.82991925
  O     -5.95037208     -0.04638550     -2.21666156
  H     -2.71610235     -3.28216746     -4.98152550
  H     -7.78877302     -1.46834628     -7.61846349
  O     -3.18781912     -6.43306277     -4.62097274
  H     -2.55661793     -2.08533111     -3.99327965
  H     -5.78569053     -8.55545228     -3.86182383
  O     -5.85582550     -2.88909020     -9.66837421
  H     -5.96118382     -6.67893525     -2.21306144
  H     -6.28937592     -7.23082876     -4.47674479
  O     -3.38018252     -0.63696336     -3.40479181
  H     -6.84536622     -5.74314864     -1.33554963
  H     -6.03180047     -0.57406195     -5.38153152
  O     -8.27303856     -4.39821186     -1.10366377
  H     -6.29413992      0.81502433     -1.99234589
  H     -7.27540235     -1.46992061     -5.15935208
  O     -5.57658298     -3.41044152     -3.96117420
  H     -6.31227447     -0.27330016     -3.09075111
  H     -2.11684454     -1.45075108     -7.23366159
  O     -7.42564150     -6.43716512     -5.52928138
  H     -2.71662495     -6.07679756     -3.85885129
  H     -1.46939828     -1.65720281     -5.85467020
  O     -5.02849055     -0.10163550     -6.79452319
  H     -3.97942541     -6.87318075     -4.28455742
  H     -8.48850052     -3.20941687     -5.39953644
  O     -2.81124740      1.13333728     -5.59254527
  H     -6.02708567     -2.89475970    -10.60599411
  H     -7.60658971     -3.33629551     -6.64726769
  O     -7.27270469     -1.01776621     -8.29888988
  H     -6.41009507     -2.18698735     -9.28190024
  H     -3.68048665     -5.11129104     -5.67628704
  O     -5.66529895     -7.60925982     -3.83293804
  H     -4.15704530     -0.39986054     -2.88774010
  H     -4.64306954     -3.95329428     -5.29270687
  O     -6.63011135     -0.91542961     -4.70179648
  H     -3.23601448      0.07814740     -4.03707309
  H     -6.29505893     -4.15141531     -8.31933264
  O     -1.52020134     -1.03879934     -6.59484774
  H     -7.66578839     -3.65766769     -0.92466840
  H     -5.60268793     -4.57149276     -7.00495796
  O     -8.18284593     -2.71851959     -6.17413299
  H     -8.87105130     -4.44557656     -0.36274302
  H     -7.28122417     -4.06733230     -3.92129606
  O     -4.04813412     -4.27193665     -5.99243855
  H     -5.12865065     -3.53364550     -3.11336192
  H     -8.44275927     -4.35762197     -2.95644408
  O     -6.45337170     -4.56798214     -7.46349907
  H     -5.78765948     -2.47650911     -4.08175506
  H     -4.81847228     -4.84775625     -1.43551830
  O     -8.21928977     -4.31328852     -3.89317282
  H     -7.17919426     -5.95176279     -6.32492910
  H     -3.40385730     -4.29723989     -1.78353205
  O     -4.30355512     -4.03336959     -1.56573197
  H     -7.86548296     -5.79353677     -4.95603879
  H     -1.75757484     -4.10728977     -3.22727090
  O     -1.80172944     -4.85753774     -2.61005844
  H     -4.56014477     -0.85871529     -7.17481418
  H     -0.92609911     -4.96831991     -2.24847356
          69
 Energy    -249.11439159818934     
  O     11.41840415      1.82595960    -11.94205448
  H     11.59685856      2.64538544    -12.42004465
  H     10.86590551      9.16082493    -13.09303383
  O     11.98317253      2.17882055     -9.27069428
  H     10.45989065      1.71452073    -11.96413922
  H      8.68002885      3.53951247    -12.34016778
  O      8.78801730      6.92797238    -13.77208163
  H     11.90867407      1.89101408    -10.19134802
  H      9.88422211      4.47334245    -12.61808649
  O     15.19835211      5.44464860     -8.98543045
  H     11.68380719      3.10018873     -9.27760991
  H      9.66143292      8.63304030    -10.59483256
  O     11.31024826      7.97291236     -7.34477485
  H      9.60049691      6.83064318    -14.28418695
  H      9.56112125      7.28063604     -9.86586070
  O      8.53179883      1.75851173    -11.86790331
  H      8.64513398      6.06520699    -13.36087410
  H     12.05171520      5.15426366     -9.90521921
  O     10.19137316      1.19860088     -7.46974770
  H     14.78998239      4.73478048     -8.45961664
  H     11.59387598      5.04654629     -8.40455315
  O     11.67210116      4.49808814    -13.00725855
  H     16.14163641      5.31215187     -8.94029004
  H     11.62693267      6.21151525     -6.68924084
  O     12.66440285      8.28264059    -10.83599620
  H     11.07913300      8.72923723     -6.80914405
  H     11.03714993      4.78745853     -6.40456039
  O      9.08290354      9.17960378    -12.28360879
  H     10.82324799      8.07177253     -8.17767522
  H      8.72471739      1.52741056     -8.60539778
  O      7.38156488      4.37527096     -8.02566738
  H      8.34150560      1.77176030    -10.91303349
  H      7.70970684      2.66762653     -8.80381292
  O     11.74643242      8.89123771    -13.37965946
  H      7.99301431      1.06836487    -12.24542960
  H     14.42960767      7.16291009     -8.50812317
  O      8.92679089      4.46367873    -12.46702892
  H     10.87769969      1.46881290     -8.10435226
  H     13.21033899      7.93912726     -7.94381063
  O     10.00941722      8.13826637     -9.84127741
  H     10.50005741      0.39848022     -7.05295932
  H     13.23640487      4.07836977     -7.07381355
  O     11.34245747      4.86078177     -9.31918703
  H     12.31928369      4.82858893    -12.36847049
  H     13.35797264      2.93676737     -8.11646073
  O     11.84735323      5.27468954     -6.62957945
  H     11.64866123      5.14417818    -13.72455908
  H      9.73030012      5.28637640     -9.68223387
  O      8.04524277      1.85788478     -9.20613843
  H     11.75663724      8.22194350    -10.50945138
  H      8.73279108      5.26599309    -10.85755487
  O     14.01467369      8.03369656     -8.46685605
  H     13.23595845      8.35376703    -10.05750613
  H     14.09107413      5.49650680    -10.48571058
  O     13.87232886      3.54881222     -7.57558390
  H      8.43007277      9.82315711    -12.54618336
  H     13.15334919      6.56781384    -11.10892041
  O      8.85575670      5.60678501     -9.96183097
  H      8.90008234      8.37107726    -12.79641695
  H      9.79575696      2.84917920     -6.59781573
  O     13.34449834      5.61852655    -11.08570242
  H      6.54557579      4.80609221     -7.86817378
  H      8.79912392      4.00373360     -6.80009166
  O      9.60303435      3.75601569     -6.32810282
  H      7.83733158      4.88579702     -8.71668322
  H     11.62778091      7.45035380    -14.36462542
  O     11.42986664      6.63270870    -14.85565163
  H     12.24577574      8.76130776    -12.56115205
  H     11.76152465      6.75730749    -15.74091510
          69
 Energy    -249.11383868982625     
  O     11.91367192     10.95860974    -15.29614488
  H     12.25956973     11.72519005    -14.82375836
  H     15.08707808      6.40981242    -16.30439156
  O     15.85958391      6.92842660    -13.26804409
  H     11.37981742     10.45364027    -14.67085627
  H     18.54441821      8.04210300    -14.85482930
  O     16.32748868     10.09333338    -10.74555916
  H     14.93158468      6.81039429    -13.02181057
  H     17.77201582      7.55444870    -13.62774081
  O     17.37041138     11.37604937    -14.60119315
  H     16.31802204      7.00467555    -12.41621054
  H     16.12393255     12.59013183    -15.26598953
  O     13.30929220      6.87478251    -16.73469314
  H     17.16847603     10.26780779    -11.18673576
  H     15.27881839     12.54805168    -16.55237361
  O     14.10455965      8.98711208     -9.24539817
  H     15.65306130     10.53101523    -11.28420583
  H     14.82368982      9.41901361    -15.20404636
  O     13.35919260      6.75711299    -12.09750110
  H     16.69837934     10.67639017    -14.56318831
  H     15.55902210      8.59684382    -14.08478176
  O     14.32264473     11.07339109    -12.43370668
  H     17.92136060     11.24290757    -13.82332790
  H     10.86456881      8.39272547    -13.89069561
  O     17.72474273     10.42286405    -17.21752292
  H     12.89403605      6.60150963    -17.54926390
  H      9.53952101      9.10230030    -13.52132895
  O     14.46449392      6.31061616     -9.51709708
  H     13.44159515      7.83765889    -16.79512819
  H     16.68380045      8.24707576    -10.69719985
  O     18.22321849      7.69036860    -16.70283518
  H     14.88722541      9.44805538     -9.57212503
  H     16.15819386      6.86219733    -10.25681949
  O     15.99777938      6.30549591    -16.00442972
  H     13.39970739      9.17432587     -9.88038041
  H     12.24316735      6.84372467    -15.15373868
  O     18.51317626      8.10750830    -13.89242491
  H     13.66759501      6.40194546    -11.25503546
  H     12.25912310      6.68536713    -13.61081620
  O     15.35196589     12.98376127    -15.69576559
  H     13.05016311      7.65526018    -11.90496303
  H     19.58214879     10.41511756    -11.95997980
  O     15.35702418      9.48413368    -14.40186239
  H     13.96552030     11.86955649    -12.84375117
  H     18.69010642      9.52196605    -12.85067836
  O     10.48502058      9.22269661    -13.54796909
  H     14.65402018     10.51458089    -13.15430683
  H     15.41352545     11.70229023    -18.96976579
  O     16.83848943      7.29638985    -10.78670170
  H     17.79070964     10.81114000    -16.33440986
  H     16.23730222     11.01357615    -17.85324553
  O     11.70627364      6.94605793    -14.35977918
  H     17.91038075      9.48172245    -17.11102590
  H     13.04711643      9.98878328    -11.82496938
  O     18.70152283     10.33755218    -12.31827709
  H     14.29623962      5.81843673     -8.71845995
  H     11.65611055      9.35836880    -12.08752388
  O     15.35502691     11.36014281    -18.08211089
  H     14.30570753      7.24965314     -9.30862951
  H     14.00342602     13.14126506    -14.63621355
  O     12.42046743      9.32461437    -11.50031580
  H     17.40950523      7.18445833    -16.53008725
  H     13.00039885     14.03573548    -13.86695850
  O     13.25943863     13.12919837    -14.00583015
  H     18.80817786      7.11012638    -17.18369020
  H     14.25282659     10.14730854    -17.25445506
  O     13.74988652      9.54630707    -16.69164964
  H     15.96514044      6.33623569    -15.03925932
  H     13.05092361     10.05811582    -16.25231211
          69
 Energy    -249.11357115255157     
  O     15.02740667     11.25500467    -10.79771747
  H     15.41647152     11.33678634    -11.67914162
  H     19.01199397      8.73364844    -11.68114955
  O     14.73769959      7.13228413    -15.03865928
  H     15.72063363     10.88467375    -10.23975756
  H     17.02620505      7.93823530    -12.94572208
  O     15.51593653      5.10791253    -10.94789367
  H     14.93938159      6.24819262    -14.70125167
  H     15.65070419      7.95025838    -13.70052811
  O     18.66119376      7.13225314    -12.52460645
  H     13.77957720      7.23255383    -14.99119204
  H     13.39543787     10.66028434    -10.95078179
  O     14.25182916     11.25264933    -15.40490840
  H     15.64652096      6.03057201    -10.67930113
  H     11.89942806     10.95609700    -10.70595680
  O     15.69702736      7.78225972    -10.34786204
  H     14.59922247      4.89634187    -10.73455077
  H     13.33343728      4.68178686    -13.59286115
  O     18.58150673      8.98519428    -15.62503861
  H     19.02975917      6.93271588    -13.39574942
  H     12.43072478      4.90509500    -12.36391433
  O     11.92444797      7.22327614    -14.66061287
  H     18.54124180      6.28820651    -12.07364239
  H     12.45693838      9.99945197    -12.94154081
  O     19.42940125      6.49946650    -15.13056429
  H     13.58311512     10.76382125    -14.89043034
  H     12.22446284      8.97555489    -14.08388943
  O     15.96729389      9.19974241    -16.48463520
  H     13.78588053     11.92824511    -15.88923656
  H     18.56885488      4.01352803    -10.78910014
  O     17.85805358      4.22745104    -14.32310139
  H     15.75800034      8.03567558    -11.28286356
  H     17.22142075      4.64341274    -11.20677818
  O     19.03540173      9.63576425    -11.33329903
  H     16.20052671      8.44249504     -9.85926280
  H     16.08674191      4.45151685    -14.09219375
  O     16.15255173      8.35048501    -12.97875007
  H     17.68796024      9.09990070    -15.98239354
  H     15.31835134      4.89903859    -12.82530249
  O     12.49427814     10.32002823    -11.09522755
  H     18.74251012      9.72396413    -15.02998878
  H     12.70121115      5.97853016    -10.36882197
  O     12.43505807      4.92204364    -13.32877844
  H     12.02816664      6.40781115    -14.13944073
  H     12.16671881      4.62748848     -9.83287075
  O     12.49000746      9.88441254    -13.89882515
  H     11.28974300      7.02676252    -15.34534046
  H     19.16044940     12.03389084    -13.96567575
  O     18.15701842      4.55791884    -11.45528942
  H     19.11586053      7.38580980    -15.39081746
  H     17.87548749     11.24671567    -13.61671541
  O     15.21549277      4.72331876    -13.76929638
  H     20.25463149      6.36063513    -15.58733026
  H     12.61668195      8.53134212    -10.47547802
  O     12.72389511      5.01269529    -10.50345455
  H     15.54760302      8.40821035    -16.12037439
  H     13.88374691      7.75151040    -10.11474645
  O     18.83867106     11.16725602    -13.73071965
  H     15.39487113      9.93254166    -16.23167822
  H     17.60742571     10.22630372     -8.58544342
  O     12.91977400      7.67543520    -10.15390920
  H     18.09485569      4.21154642    -13.38763144
  H     17.87462971      9.88255308    -10.06948528
  O     17.17720069      9.96016522     -9.39315019
  H     18.35526004      4.95969064    -14.70866258
  H     15.52027357     11.25826457    -14.08281545
  O     16.13999369     11.07753827    -13.36513899
  H     19.08578567     10.21114115    -12.10575982
  H     16.14149326     10.11544424    -13.23267502
          69
 Energy    -249.11326892425677     
  O     18.51913206     10.31771761    -13.54047311
  H     17.91468234     11.06720397    -13.60025577
  H     14.28585691      6.74703646     -9.20719808
  O     14.62153777      6.10970491    -12.17545323
  H     18.46660874      9.99103485    -12.63323151
  H     14.58703708     12.37865527    -11.14389431
  O     12.30601182      9.85046429    -12.92581753
  H     13.70194084      6.39222034    -12.08138420
  H     16.01240065     12.22618664    -10.55545915
  O     12.84000390     11.61990854    -10.88966430
  H     14.79514472      5.92378335    -13.10571970
  H     14.99817310      8.99426729    -10.85159983
  O     18.53630559      6.48851620    -10.94227925
  H     13.17811639      9.95883967    -13.33517611
  H     15.22743134      7.78497738    -11.81216530
  O     12.90205712      7.78105217    -16.66400816
  H     11.71182458      9.58937994    -13.64045755
  H     18.44511990      9.09784711    -14.76608396
  O     15.29626827      5.71649171    -14.82047171
  H     12.06205789     12.11285559    -10.63985375
  H     19.12211086      8.42319288    -15.98309378
  O     14.85925700     10.10668837    -13.92703085
  H     12.57285227     11.02323562    -11.60865836
  H     10.83554383      7.11276069    -14.35289579
  O     12.71629226      5.07233552    -15.72879081
  H     18.27973652      6.35963588    -11.87312127
  H     11.32887035      6.46903609    -13.04955757
  O     14.40150100      9.89184537     -9.30093978
  H     19.21661381      5.84540501    -10.76029602
  H     17.03736944      5.86111323    -13.94981166
  O     15.89228405      5.90179996     -9.72896128
  H     12.84577529      6.83117986    -16.50032827
  H     18.10203904      6.93795777    -14.19271091
  O     13.46378338      7.25680397     -9.17614554
  H     13.83336863      8.01303262    -16.55758602
  H     12.23625298      8.17496276    -11.93264689
  O     15.50367668     12.65921010    -11.25220206
  H     15.38467830      6.59925957    -15.20818882
  H     12.49482094      7.25343852    -10.69248494
  O     15.42644781      8.72066077    -11.67201847
  H     14.47378233      5.34968625    -15.16854607
  H     11.63824828      8.55311392    -15.73601548
  O     18.35591880      8.37895957    -15.41727824
  H     15.13586443      9.61935709    -13.13322061
  H     10.23574648      9.20451943    -15.73509201
  O     11.04571979      6.26152085    -13.95059070
  H     15.38364684     10.91498991    -13.96225917
  H     17.54152316     11.40752024     -8.61153691
  O     17.83974885      6.24367776    -13.57618489
  H     12.31274146      4.28672950    -16.08753366
  H     17.43695313     10.47950460     -9.84393904
  O     12.16056387      7.27147101    -11.60311530
  H     12.10720443      5.41523846    -15.05008313
  H     15.28274977      8.94887165    -15.22933960
  O     10.92011379      8.87289857    -15.15997102
  H     15.24246619     10.33652515     -9.13923748
  H     16.53722982      8.32986972    -15.88200528
  O     16.95590130     11.13782120     -9.31446865
  H     13.81431588     10.52750773     -9.73029985
  H     16.58846214     13.19039624    -14.17688097
  O     15.57277291      8.29375143    -15.88145258
  H     16.80269306      6.11146200     -9.95779601
  H     16.18834138     12.53910285    -12.82983711
  O     16.53162750     12.35424784    -13.72265302
  H     15.45628016      5.76120712    -10.58321836
  H     18.38663874      8.34233911    -10.84627446
  O     18.01078239      9.22161050    -10.97816505
  H     13.72976426      8.16722780     -8.99653484
  H     17.10452925      9.05435057    -11.28558141
          69
 Energy    -249.11316342523801     
  O     12.27832157     11.39654273    -17.33208639
  H     12.97049344     11.23557326    -17.98437814
  H     18.13027492     10.25263581    -14.38984311
  O     18.32359951      6.77178327    -13.43410893
  H     12.72418080     11.74492082    -16.54810051
  H     14.90991080     10.85244697    -15.95036085
  O     18.85871532     10.11317968    -11.14867749
  H     18.41274673      7.69368288    -13.70643087
  H     15.25375548     10.36636277    -17.38589760
  O     17.75872209     11.61606177    -15.53406078
  H     18.36928953      6.79453650    -12.46702812
  H     14.56212741      9.47593497    -13.22401373
  O     16.13754863      5.72494448    -14.57468786
  H     19.72780473     10.50182914    -11.08760133
  H     15.29229913      8.21914558    -12.69641721
  O     14.36195860      9.51723011     -9.63422368
  H     18.69563852      9.93475990    -12.09106246
  H     11.32796084      9.93099848    -17.23112192
  O     14.85608321      6.48918764    -12.18222307
  H     17.01219713     11.14697592    -15.94584463
  H     10.01180859      9.17369267    -17.53077060
  O     12.80456011     10.02361921    -13.38943698
  H     18.17081340     12.13645591    -16.21841726
  H     18.55654186      8.24893830    -10.69317705
  O     13.26211612      8.01208287    -18.49359670
  H     16.32054380      4.85071119    -14.90853807
  H     17.50058763      7.22190286    -10.24410530
  O     15.70608114      7.00640822     -9.65014208
  H     16.97083223      6.06369643    -14.19737381
  H     11.98544788      7.05920706    -13.28354878
  O     14.64840695      7.61793012    -16.06418976
  H     14.86303455      8.69709351     -9.54193520
  H     11.98207064      7.55039756    -11.81501755
  O     18.08970062      9.54706158    -13.73386013
  H     14.97219856     10.17061782     -9.99792974
  H     16.69062589     12.46774052    -14.07025238
  O     15.53403913     10.31565201    -16.46262269
  H     13.88897635      6.49537279    -12.25885704
  H     16.05677744     12.32473073    -12.66663432
  O     15.43574426      9.11467912    -13.02745798
  H     15.22740195      6.08331903    -12.97365776
  H     17.10842749     10.86172744    -10.99015475
  O     10.90507136      9.05338067    -17.22047193
  H     12.47887929      9.30483272    -13.94998273
  H     15.88790933     10.36581986    -11.78917057
  O     18.34440835      7.30812368    -10.70333071
  H     12.45977509      9.87121563    -12.50117502
  H     14.62327379     10.54049262    -19.93989644
  O     12.15976371      6.78299959    -12.37349790
  H     13.76953317      7.70790460    -17.72826732
  H     14.00716982      9.52364693    -18.94789326
  O     15.95956674     12.76757636    -13.51866644
  H     12.38334246      8.22984442    -18.15821711
  H     11.27689483      9.53775324    -10.27046052
  O     16.18281055     11.06004458    -11.17933919
  H     15.40003832      6.74279258    -10.53587586
  H     12.80639248      9.33344552    -10.37110493
  O     14.40283093     10.41130122    -19.02193692
  H     15.49615900      6.28509687     -9.06152995
  H     13.34044450     11.35913778    -14.41956237
  O     11.96564095      9.22608389    -10.85124900
  H     15.07968970      8.48226473    -16.06551314
  H     14.48667338     12.39608325    -14.51269210
  O     13.80200000     11.95098458    -15.03228835
  H     15.21469542      6.99652434    -15.59108974
  H     12.98347324      7.71656877    -15.33262053
  O     12.09778682      7.88166636    -14.97707673
  H     17.14963760      9.37956967    -13.56149499
  H     11.56371665      8.21852828    -15.70719714
          69
 Energy    -249.11272881915392     
  O     12.11254990     11.46989263    -15.47374005
  H     12.71848215     12.19927392    -15.29961417
  H     15.49423762      5.86100008    -17.74932957
  O     15.87160417      7.72841793    -12.96659783
  H     11.91465951     11.06264524    -14.62044389
  H     18.63965308     10.84236828    -12.77611493
  O     16.13853821     11.73981804    -10.85820757
  H     15.76854725      8.47271675    -13.58076972
  H     18.32887997      9.47300858    -12.13629317
  O     16.86928743     12.96278828    -14.93853909
  H     16.29317457      8.08897438    -12.17682767
  H     16.64542179     10.28466672    -17.23935958
  O     13.33892541      7.90964623    -15.84467736
  H     15.45245732     11.65757786    -11.54116570
  H     17.86761285     10.08071088    -16.27092275
  O     11.92312823     10.14728246    -10.17454176
  H     16.88725914     12.16354126    -11.29404785
  H     14.59991395      9.21646150    -15.19161697
  O     13.11122241      7.58405507    -13.09885590
  H     15.94450681     13.22160938    -15.01065017
  H     15.90239779     10.06626259    -15.37022759
  O     14.32908311     11.46566782    -12.84987483
  H     17.01022825     12.25311385    -15.58113762
  H     14.73416166      9.17232103     -8.90369065
  O     17.18881807      6.77172621    -15.25774051
  H     12.94737389      8.51830284    -16.48450623
  H     14.21234937      7.86509200     -9.52177354
  O     12.56431316      7.36327374    -10.40096303
  H     13.98024190      7.37174230    -16.32902565
  H     17.69889542     12.80453090    -13.42632266
  O     19.04424271      8.92192642    -15.38350390
  H     12.05860761      9.19182776    -10.12424233
  H     18.83818999     13.34063237    -12.52864712
  O     15.40138400      6.67875540    -17.26872684
  H     12.67435240     10.54101640     -9.71547839
  H     16.76767019      9.97496776    -10.81901950
  O     18.78288411      9.89350641    -12.87669539
  H     14.06783900      7.55952807    -12.94204511
  H     16.44365066      8.62957037    -10.15206718
  O     17.16335688     10.69009053    -16.52685708
  H     13.01348209      7.55738445    -14.06010041
  H     15.00475998     11.38123017     -9.49823077
  O     15.25932949      9.74491085    -14.72675316
  H     13.44813597     11.09201147    -12.72152279
  H     14.41646838     11.60569944     -8.08948409
  O     14.99256795      8.26819787     -9.12319710
  H     14.75281601     10.90384531    -13.51823538
  H     14.49869882      9.65933366    -18.09541060
  O     18.16182889     12.67038040    -12.57941146
  H     17.87851340      7.44256375    -15.33532946
  H     15.45360982      8.45259146    -17.99822507
  O     17.02575335      9.04358327    -10.80649080
  H     16.78326627      6.90904949    -14.39140660
  H     11.72500099     10.26649777    -11.96256220
  O     14.33386446     11.06508681     -8.87164882
  H     12.68932635      7.36111003    -11.36396150
  H     12.26113857      9.28937320    -13.03149723
  O     15.42187767      9.39725053    -18.19519193
  H     12.06122843      6.58009305    -10.19079258
  H     14.14699560     12.87143712    -13.92319474
  O     11.89535297     10.17582927    -12.91288895
  H     18.97379941      9.25243658    -14.46915865
  H     13.72810920     14.31091094    -14.30316140
  O     14.03831369     13.48573484    -14.66991353
  H     19.97417600      8.80960355    -15.56274145
  H     12.42606713     10.53436635    -16.89036910
  O     12.62825720      9.93222076    -17.62930547
  H     16.07523613      6.66955850    -16.56467416
  H     11.94558550     10.06329810    -18.28184854
          69
 Energy    -249.11269104567521     
  O     11.02501871     12.39735276    -11.10485181
  H     10.54503949     11.58026157    -10.92190669
  H      9.10615260      9.61250183     -9.97121799
  O     13.62259080      9.94744236    -17.92769049
  H     11.03101600     12.50372268    -12.06365885
  H     13.09091647     12.83298989    -13.40589110
  O     11.76230267      8.71543384    -12.18498913
  H     13.93617898     10.86131540    -17.92630448
  H     13.96223251     11.87386957    -12.57864063
  O     14.53006586      9.37164533    -15.41186731
  H     12.66067031     10.00465319    -17.86383457
  H     17.06480190     10.15645815    -12.38681137
  O     13.06634640     11.76416545     -9.38571458
  H     12.51641968      9.30048032    -12.00095714
  H     16.37403383      8.76122286    -12.50974012
  O     14.49474508     12.63448946    -17.42788615
  H     11.04969474      8.99133653    -11.59558168
  H     16.00840498      6.83771830    -14.18487786
  O     11.82067816      9.74138811    -14.70550273
  H     14.26697449      9.40107627    -16.34430441
  H     15.18169006      8.13427721    -14.32767170
  O     14.24638395      7.75088546     -8.93424858
  H     14.98192613     10.20701240    -15.23274680
  H     14.40753680      7.03891816    -12.23405154
  O     13.90435803     10.36209320    -11.64423818
  H     12.42595129     12.21405170     -9.95929236
  H     12.98211549      7.37152565    -11.75859853
  O     11.94442560      9.40855225     -8.52279869
  H     13.84686132     12.30972827     -9.24796913
  H     17.35778597     12.30464713    -12.62395649
  O     16.33723811     13.30829545    -11.66993868
  H     14.99474267     12.42685108    -16.62194615
  H     18.73666547     11.90958089    -13.21237012
  O      9.97045752      9.78552724    -10.33381907
  H     15.01706847     13.26469362    -17.91852812
  H     11.40257785     12.85407220    -14.84703696
  O     13.99153209     12.69880213    -13.08747973
  H     12.75888674      9.62702696    -14.90698336
  H     11.49416312     11.51051655    -14.11820040
  O     16.58366825      9.47755000    -11.89736614
  H     11.66122257      9.27607712    -13.87305802
  H     16.11674324     12.93063832     -8.19542328
  O     15.59588405      7.53634640    -13.68255525
  H     14.11621707      7.42954813     -9.84327887
  H     15.89995940     11.62744476     -9.00197635
  O     13.79653905      6.91837715    -11.49893506
  H     14.41313530      6.97988335     -8.39723397
  H     15.06002798     12.24307770    -14.40831566
  O     17.81496136     11.66688190    -13.20472075
  H     14.81228109     10.03804034    -11.62112606
  H     16.53496680     11.80870279    -14.58115574
  O     11.38340210     12.45849798    -13.96383931
  H     13.69185215     10.74434053    -10.78089410
  H     12.64539809     12.99323621    -16.92975116
  O     15.74061007     12.58916195     -9.00240970
  H     12.34542151     10.28103939     -8.65684481
  H     11.34158777     12.18526829    -16.96950405
  O     15.69611619     11.88683834    -15.04934022
  H     12.66781961      8.77683153     -8.60376419
  H     15.48337938      9.20352084     -8.98341877
  O     11.72155865     13.01523333    -16.65417225
  H     15.47753357     13.30846196    -12.11234854
  H     16.46364932      9.69556189    -10.05951662
  O     16.12351952      9.89905194     -9.17751170
  H     16.16509402     13.13403058    -10.73622453
  H     10.03129716      9.93104994    -17.41458596
  O     10.88086451     10.31757451    -17.21929457
  H     10.61389174      9.60712309     -9.62311524
  H     11.10430818     10.05771444    -16.30877355
          69
 Ord_Energy   -249.112274    
 O    1.31946337      -9.03684521       2.10057282    
 H    1.65376174      -8.25616360       2.57207799    
 H   0.840577841      -9.55800438       2.74100709    
 O    5.36921310      -9.50039482      -1.04999828    
 H    6.18515205      -9.12602043     -0.696166158    
 H    5.13379478      -8.94173908      -1.80209923    
 O   0.182404965      -7.84400892     -0.258898914    
 H  -0.104244247      -6.95379448      -1.84602607E-02
 H   0.490964055      -8.27073574      0.549592257    
 O    2.92003655      -2.39648390       2.45537901    
 H    3.69052601      -2.92262745       2.73855758    
 H    2.94550443      -1.58268893       2.95120454    
 O    4.10173988      -9.50378990       1.35959733    
 H    3.14667010      -9.59509659       1.42597985    
 H    4.39427757      -9.68970013      0.452331632    
 O    1.53352857      -4.26304245      -1.69235277    
 H   0.789699972      -4.47186947      -1.11332905    
 H    2.19517899      -3.80003405      -1.15665090    
 O    6.81402302      -3.84760427      -3.48589063    
 H    7.46787405      -3.29008007      -3.89891529    
 H    6.09255600      -3.26289892      -3.19221544    
 O    5.05381680      -3.94714618       3.04062247    
 H    5.05102730      -4.75350428       3.56911254    
 H    5.37603474      -4.20383883       2.16510057    
 O    3.62904096      -6.81096601      0.645481467    
 H    3.13889074      -6.85679293     -0.185104623    
 H    3.94420695      -7.70180130      0.844853699    
 O    4.71336222      -7.47311306      -2.91424251    
 H    3.82280517      -7.36631870      -2.54942322    
 H    4.74861097      -6.90451241      -3.69667840    
 O   0.935984254      -4.43095636       2.41423631    
 H    1.55670345      -3.69395113       2.46128297    
 H    1.39263213      -5.19468689       2.79046488    
 O    4.95908833      -6.47292900       4.36446619    
 H    5.31998920      -6.66509056       5.22568417    
 H    5.44095182      -7.03393412       3.72936487    
 O    2.44468784      -6.69725323       3.10228038    
 H    3.20354652      -6.63914299       3.69498873    
 H    2.81211019      -6.62182665       2.20572519    
 O    4.65153027      -2.37024856      -2.77225828    
 H    3.94110179      -2.68840504      -3.34363484    
 H    4.29748440      -2.40355778      -1.87444270    
 O    3.51555681      -2.96431422     -0.251235992    
 H    4.22931719      -3.59475780      -7.02442676E-02
 H    3.24195552      -2.61963201      0.606332719    
 O  -0.422268420      -5.04903030      0.176051870    
 H    3.85009386E-02  -4.80755234       1.00007653    
 H   -1.32566166      -4.75852203      0.271578968    
 O    6.15254211      -8.08424568       2.55134106    
 H    5.47682524      -8.71879005       2.27083278    
 H    6.71966887      -7.95605564       1.78291595    
 O    4.77699471      -5.45338869      -4.79496956    
 H    3.99226427      -4.90718222      -4.66411352    
 H    5.52153635      -4.91533279      -4.50056314    
 O    5.45037556      -4.81170368      0.415561080    
 H    4.82177162      -5.53547287      0.568707526    
 H    6.01721525      -5.11065722     -0.303800255    
 O    2.26955247      -6.95888996      -1.76358807    
 H    1.50818777      -7.40657949      -1.36501479    
 H    2.03467894      -6.02593946      -1.84938586    
 O    7.58937597      -7.97029448       5.05068004E-02
 H    7.40062189      -7.24196815     -0.563371360    
 H    8.50525665      -8.20452309      -8.24572220E-02
 O    6.76921511      -6.02084351      -1.72226536    
 H    6.92902899      -5.28416395      -2.32492757    
 H    6.04415178      -6.53930187      -2.10434365    
 O    2.55330324      -3.69261479      -4.18833780    
 H    2.09374428      -3.90214872      -3.35867047    
 H    1.88292027      -3.41830397      -4.80948544    
          69
 Energy    -249.11208841304972     
  O     17.02963292      7.75965236    -14.30019280
  H     17.36571329      8.24727367    -15.06347073
  H     18.06229720      5.79209594     -9.87468825
  O     11.98878407     10.15082213    -10.75587172
  H     17.69193997      7.79227600    -13.59475583
  H     13.71685405      9.49684542    -10.37104618
  O     17.87330162      9.38262799    -16.39522724
  H     11.80248847      9.40558939    -11.35497021
  H     14.88480298      9.25537605    -11.35881426
  O     14.80584913      6.16536872    -13.89901130
  H     11.21826058     10.25579939    -10.20405527
  H     19.59823147      4.54116367    -11.61588634
  O     18.64799808      7.91696653    -12.07258278
  H     18.35861361      9.22157530    -17.19961367
  H     18.10974669      4.85985865    -11.89934324
  O     19.56083527     10.56568059    -12.42252936
  H     18.34800739     10.08709790    -15.91492988
  H     14.95094507     12.36708832    -12.18560771
  O     17.23727975      8.86992203     -9.82584780
  H     15.60099153      6.69398619    -14.06701599
  H     15.95161706     11.25621725    -12.49949133
  O     11.68791517      7.94834877    -12.33422040
  H     14.52232027      6.32367493    -12.98554757
  H     15.95670910      4.77936992    -13.04607320
  O     15.56296663     11.11277220    -16.24629317
  H     18.88509384      6.99731032    -11.89872905
  H     16.01751718      4.27027705    -11.59046682
  O     12.72253016      7.62909758    -15.01514367
  H     18.12431421      8.21963490    -11.31711302
  H     16.04351615      8.99375895    -13.45010025
  O     13.45127061     10.35507718    -14.69532615
  H     19.09170783     10.97795107    -11.68914802
  H     14.74300416      9.84890469    -13.54574732
  O     17.42226619      6.09352867     -9.21750973
  H     19.39662555      9.61713224    -12.33929693
  H     18.36004966     12.08926409    -14.89611505
  O     14.56665680      9.05086673    -10.46303095
  H     17.53333344      9.78769575     -9.85220782
  H     19.27342211     11.12387882    -14.10059388
  O     18.92610763      5.20642061    -11.49668560
  H     16.27381984      8.90448787     -9.92132995
  H     16.66627106     14.11168691    -14.72007999
  O     15.90168347     12.18298847    -12.21587878
  H     12.29747247      7.31691710    -11.92688859
  H     16.50048442     12.91011678    -13.76438629
  O     16.52044838      4.32051865    -12.41367605
  H     11.87205257      7.90221908    -13.27866449
  H     14.22259023      5.80901609    -10.73417323
  O     15.47522403      9.60094711    -12.96373990
  H     15.96208549     11.86814753    -15.79687644
  H     14.14075947      7.35145813    -10.91022988
  O     18.99536991     11.37122128    -14.99540749
  H     16.28054387     10.48545170    -16.39235120
  H     18.05451435     12.34608995     -9.75994825
  O     16.80346703     13.17022279    -14.64888424
  H     13.45541494      7.07124927    -14.70672183
  H     17.14313377     11.91023448    -10.92846184
  O     13.85529732      6.50741358    -11.28857416
  H     12.30627567      7.15757199    -15.73271392
  H     12.71382498     11.55843207    -11.84258041
  O     17.84772416     11.61006307    -10.33098694
  H     14.11178409     10.62175867    -15.35549417
  H     13.13528782     11.63261111    -13.31515883
  O     13.17133310     12.11966333    -12.48007330
  H     13.13332035      9.47494986    -14.92815710
  H     15.07043968      3.95088080     -9.15645382
  O     15.26180013      4.57985357     -9.84645482
  H     17.41246228      7.05757200     -9.27032228
  H     16.00706670      5.12480045     -9.53508411
          69
 Energy    -249.11187614507958     
  O     14.13495799     11.56070578    -14.10117044
  H     14.66264886     11.14348575    -14.79143550
  H     15.54144438      4.93441037    -14.85512661
  O     14.47002776      5.77265137    -17.64742995
  H     14.49883747     11.24226325    -13.26212030
  H     14.13040698      7.76501525     -9.72067648
  O     12.99881290      6.05224122    -12.06363353
  H     14.28583886      6.72382714    -17.54536604
  H     13.90780104      6.48694806    -10.54956209
  O     16.91740356      5.84298807    -10.24882448
  H     14.35515548      5.56827192    -18.57146937
  H     14.34715817      8.88095228    -12.84033471
  O     12.57568484      4.59154316    -15.76197077
  H     12.04391160      6.18470045    -12.06648049
  H     14.94997368      7.95290220    -13.91004057
  O     11.47717050     11.08840169    -13.85219086
  H     13.38326256      6.80034295    -12.54845490
  H     16.60154325     10.61970384    -16.36989801
  O     13.97356024      8.39902885    -17.24838731
  H     17.30290620      5.67755570     -9.39247086
  H     16.20324037      9.39684508    -15.51581877
  O     18.11596305      7.06322042    -12.43968465
  H     16.03990051      6.23411801    -10.08745434
  H     10.33956672      6.61749262    -13.23941335
  O     12.09634130      8.72973269    -15.23370478
  H     13.15039357      4.95046079    -16.44686440
  H      9.49154181      6.38468098    -11.96566451
  O     16.68334684      3.67659571    -12.11645677
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  H     10.93767517      8.51667597    -11.83203036
  O     18.48545301      4.79617780    -14.10575345
  H     10.97306150     11.87896063    -14.02354735
  H     11.32983208      9.93495254    -12.33024636
  O     16.16528177      5.27503000    -15.51568938
  H     12.41685756     11.32577013    -13.95557020
  H     15.14114882      3.91051197    -13.06146254
  O     14.47387747      6.87731903     -9.86825847
  H     14.61693894      9.05966364    -16.96982240
  H     13.88805131      4.82416960    -13.04916902
  O     14.13718370      8.14228566    -13.42711475
  H     13.20970165      8.52651818    -16.66788567
  H     11.21932559      5.68776256    -15.21605425
  O     15.85128058     10.16974460    -15.98827376
  H     17.68439557      6.66789922    -11.66746789
  H     11.04409178      7.21948238    -15.14299972
  O     10.29487049      6.78947405    -12.28012747
  H     18.41556732      6.32580960    -12.98583978
  H     12.57953402      9.43251986    -10.36033286
  O     11.34939494      9.34787723    -11.56535559
  H     12.79460184      8.48928381    -14.60547891
  H     12.99123258      9.93193653     -8.95530745
  O     14.43714295      4.26860429    -13.62010381
  H     11.73005935      9.55920801    -14.90693484
  H     17.14169057      7.71463393    -13.88234051
  O     10.62223085      6.38280081    -14.90489182
  H     16.71813188      4.33228740    -11.40851088
  H     16.46718103      7.00132055    -15.08079673
  O     13.32425390      9.49347040     -9.73340076
  H     17.39557466      3.91203638    -12.72207330
  H     14.53689230     10.08255898    -11.00422213
  O     16.61708750      7.86817733    -14.67806645
  H     19.15765481      4.33848374    -14.60425444
  H     15.96388695     10.08090500    -11.65403376
  O     15.02647602     10.25358346    -11.81827029
  H     17.72455374      4.90798180    -14.70075757
  H     17.97468344      8.78374202    -11.81881626
  O     17.72067922      9.66801775    -11.51610512
  H     15.67436666      5.37386020    -16.34146302
  H     18.53608102     10.12080639    -11.31388651
          69
 Energy    -249.11151853812606     
  O     12.05900879      6.23617208    -11.98383201
  H     12.39986012      6.74125560    -11.23194404
  H     14.74854587      5.86113398    -14.91004952
  O     17.36789912     10.08410926    -15.11884385
  H     12.72442922      5.56065187    -12.15870185
  H     16.86396885      5.96026273    -14.02953110
  O     17.19742213      8.97931609    -12.56877103
  H     16.62289501      9.69844001    -15.60502969
  H     18.16763542      6.76472223    -14.26652104
  O     16.30710265     12.56064182    -14.40596918
  H     17.13007182     11.00151471    -14.93487600
  H     14.13986825      8.25247250    -11.77933511
  O     13.43453399      7.77588763    -10.12303613
  H     17.28994266      9.47045402    -13.39561917
  H     15.39133024      8.76503296    -12.55867850
  O     15.20241322      9.04976937    -16.51472364
  H     17.37107799      8.05401556    -12.78883613
  H     14.47397235     10.40301932     -9.69721067
  O     13.98825518     11.36862555    -15.67739954
  H     16.58413041     13.46453510    -14.53004855
  H     13.16638467     11.08722066    -10.14864922
  O     16.26247072      4.58926880    -17.26243383
  H     16.08415729     12.46233492    -13.46288937
  H     14.62626037      4.54474924    -13.26363256
  O     11.08009231      7.78590380    -13.99532140
  H     13.27440986      8.69669414     -9.86430943
  H     14.10576898      3.42174838    -12.33910446
  O     16.43016476      5.66557187    -11.09636078
  H     14.23915195      7.51019337     -9.66205438
  H     13.24251910      9.76442159    -13.17816150
  O     13.70899881      7.30286758    -14.93693925
  H     14.66739543      8.38925015    -16.05448081
  H     11.82283452      9.56336321    -13.71900046
  O     15.37070395      5.13571482    -14.75067948
  H     14.73724663      9.89197168    -16.40118687
  H     16.24554088      6.75307663     -9.76018103
  O     17.59573849      6.40454989    -13.57817347
  H     14.69303382     11.86761201    -15.24744524
  H     16.32335079      6.98570879     -8.23244968
  O     14.45006530      8.57370272    -12.63513050
  H     13.39855477     11.06606589    -14.97533961
  H     16.26588492      9.20254986     -9.61970779
  O     13.52103151     10.43087661     -9.53796887
  H     16.54851022      5.49752122    -17.46242010
  H     16.75806342      9.72332551    -10.96473510
  O     14.22552829      4.36706772    -12.39537830
  H     16.26050099      4.12320339    -18.09342060
  H     17.79556435      7.37592625    -17.00069494
  O     12.46723626     10.24779877    -13.50636139
  H     11.37340688      7.22668675    -13.25215136
  H     16.38433726      7.86142337    -17.38151832
  O     16.02372235      7.37941552     -9.04750829
  H     10.19419862      7.50873151    -14.21175810
  H     14.62172488     12.30973105    -11.71262815
  O     16.31742780     10.00794362    -10.15003626
  H     15.65096904      5.20348193    -11.42889799
  H     15.88318950     11.58750500    -11.18348086
  O     17.04827955      7.18778855    -17.58007131
  H     16.98217558      5.83978119    -11.86828282
  H     18.53955299      8.75081394    -15.42704015
  O     15.57676615     12.23155300    -11.83180727
  H     12.75048289      7.37400573    -14.87681142
  H     19.91649296      8.10445739    -15.70060100
  O     18.99242957      7.90330170    -15.57366183
  H     14.04027139      7.68870411    -14.10930275
  H     12.53305134     11.56298984    -12.31078121
  O     12.73845075     12.21812131    -11.62279626
  H     15.66758501      4.81713256    -15.61495436
  H     12.07260642     12.89836608    -11.67964037
          69
 Energy    -249.11105111611840     
  O      0.24405876      4.57405464      4.91490317
  H      0.60119565      3.99255522      5.59592997
  H     -0.19237418     -4.67503463      4.49977448
  O     -1.41673611      3.62138968      2.94106784
  H      0.98246965      4.74909179      4.31745472
  H     -1.53218904      0.13887422      1.19837211
  O      1.65470583      2.70328297      6.60794395
  H     -0.99171267      4.03186346      3.70946457
  H     -1.23973499      0.46623778      2.69003003
  O      0.25128986     -2.26595708     -0.41813854
  H     -0.75645476      3.66447489      2.23738653
  H     -2.99274590     -0.12466556      4.47073172
  O     -1.09554200      1.28705387     -2.02846699
  H      2.10326727      2.85655638      7.43491502
  H     -4.27770151     -0.78623947      5.01746013
  O     -2.75809273      0.32030979     -0.08326118
  H      2.34053291      2.66356305      5.91571137
  H      1.12008444      0.39216180      4.60780344
  O     -1.90944003      1.23573249      4.19573353
  H     -0.70537643     -2.37437628     -0.35920078
  H      0.84076100      1.20778695      5.89873506
  O     -1.17806968      4.03778705     -1.15096781
  H      0.58451704     -2.33547348      0.48637217
  H      0.51045922     -2.74199824      2.91128324
  O      1.36175467     -0.11571155     -1.62016439
  H     -0.22140688      0.88136877     -1.98114526
  H      0.18357199     -1.38459125      2.22506130
  O     -0.95555508     -1.87574398      5.82614062
  H     -0.98388765      2.22724894     -1.84452395
  H     -3.13447486     -3.15946093     -0.45111045
  O     -2.70106432     -2.90443353      2.64533788
  H     -2.22906466      0.61287979     -0.84387186
  H     -2.65507161     -2.65286970      0.92874237
  O     -0.41422261     -3.85289225      4.07212241
  H     -2.86291244     -0.63581190     -0.15931444
  H      3.15601969      1.68934680      4.03017616
  O     -0.86007685      0.08414242      1.89087674
  H     -1.08502816      1.05556387      4.67182139
  H      3.07655529      3.23293242      3.88125533
  O     -3.42075612     -0.98021506      4.64603621
  H     -1.82712439      2.11180415      3.79455256
  H      0.55546482      0.86895846      1.18164242
  O      0.49375584      0.50446425      5.33533357
  H     -1.53645042      4.72627902     -1.70472301
  H      1.50946052      0.83122859     -0.04136325
  O      0.87231315     -2.06013029      2.33275996
  H     -1.90059796      3.74554207     -0.56464275
  H      2.05608656     -0.72485548      3.00145771
  O     -2.59877082     -2.49196029     -0.03038708
  H      2.00308839     -0.39736258     -2.26647839
  H      2.15296791      0.66079323      2.37008323
  O      3.32739506      2.52316276      4.48637490
  H      0.96840220     -0.92429982     -1.24315882
  H      1.76138914      4.48787788      2.19506124
  O      1.36835751      1.25353273      0.81458746
  H     -1.84567776     -1.59880766      5.57561412
  H      2.83778888      5.49003954      2.66532755
  O      2.33289045      0.18152439      3.19165947
  H     -0.39821400     -1.08845978      5.76632687
  H     -3.07048394      2.12264739      0.48874624
  O      2.33870657      4.72453159      2.93995466
  H     -3.02488162     -2.24809423      3.27403468
  H     -2.67171678      3.24141418      1.49916910
  O     -3.00457643      3.07939352      0.60818254
  H     -1.96486340     -3.34830161      3.08323476
  H      0.09854509      4.05142155      0.19381237
  O      0.63515629      3.86438054      0.97345131
  H     -0.56152816     -3.19633645      4.77736742
  H      0.95444103      2.95308143      0.88056170
          69
 Energy    -249.11102196232036     
  O     18.44099254     10.62457457     -7.52514483
  H     18.45875306     11.36665805     -6.92708562
  H     18.03376933      8.87609198     -6.80122449
  O     17.54394254      5.43491717     -9.64622963
  H     19.28667599     10.63623775     -8.01017090
  H     16.26994688      9.54139902     -9.74664783
  O     18.58017997      4.53585642    -13.06653498
  H     17.03766160      5.12673494    -10.40770587
  H     17.48157115     10.23050498     -9.03069944
  O     19.07293028      7.30869377    -13.23227777
  H     18.00567127      6.24665490     -9.90890645
  H     20.72752058     10.79539019     -9.93145472
  O     22.68294841      6.49561166    -11.16300091
  H     18.59979011      3.87744428    -13.75685636
  H     21.02045086      9.63818393     -8.96083788
  O     16.12173036      4.69517436    -11.90959918
  H     17.68353584      4.51862811    -12.69019766
  H     17.29623709      9.67272747    -13.37434212
  O     21.52171930      8.55647256    -12.75161215
  H     18.88986397      6.36268100    -13.28407818
  H     16.57964980      9.31957390    -14.70089488
  O     20.01935917      6.41250587     -7.04982242
  H     18.30974071      7.78853868    -13.57943550
  H     20.02801488      4.51756761    -11.76478968
  O     13.99024849      4.62272364     -7.88473065
  H     22.02147789      5.78094988    -11.19457216
  H     20.44259439      4.31611401    -10.28628580
  O     21.21355832      7.82618806     -9.15299041
  H     23.53932584      6.07768202    -11.18561143
  H     15.09725729      7.83565511     -8.97847575
  O     18.77254715      7.73493117    -10.47176840
  H     15.42615172      4.19534628    -11.46059001
  H     13.87016382      8.69053877     -9.37066153
  O     17.77515892      7.98479892     -6.54501559
  H     15.78947615      5.59457436    -12.06585698
  H     15.80444453      7.89990560    -12.74178198
  O     17.13556509      9.94421889     -9.88644255
  H     22.01154978      7.89391532    -12.25029356
  H     15.11414636      7.73593224    -11.36110128
  O     20.69498103     10.54878846     -8.99978051
  H     20.71510791      8.11531051    -13.05186757
  H     21.41462706     11.64938097    -12.20562598
  O     16.89742334      8.94360534    -13.88471134
  H     19.95571146      5.53620460     -7.44323651
  H     21.11745051     10.13447866    -12.14952862
  O     20.77288154      4.57334743    -11.15639393
  H     20.55003124      6.92858726     -7.67245846
  H     16.41948089      6.16350341     -8.48226261
  O     14.76612243      8.48318833     -9.62382524
  H     13.82591406      4.31111051     -6.99795500
  H     16.43814644      7.16018888     -7.29992657
  O     15.33291932      7.27458524    -12.17868267
  H     14.60432061      5.36832053     -7.79183742
  H     17.67254562     10.64886913    -11.46571703
  O     20.82496086     11.00442628    -11.82332937
  H     21.85046167      7.40690976     -9.74201484
  H     18.98607082     10.94706102    -12.21902357
  O     15.84439039      6.66621223     -7.88638335
  H     20.35906796      7.78810460     -9.61163072
  H     19.31269680      3.16321105     -8.24308055
  O     18.03771692     10.82357835    -12.34511734
  H     18.89717367      7.65625717    -11.42617299
  H     18.79795000      4.44765714     -8.93339080
  O     19.59918584      3.99093779     -8.62108234
  H     18.23494928      8.51809035    -10.29882326
  H     14.09051765      3.85386974     -9.51662495
  O     14.17130174      3.47189722    -10.40515580
  H     18.56580420      7.43139849     -6.63662678
  H     13.31926766      3.09049792    -10.60257266
          69
 Ord_Energy   -249.110947    
 O   -3.29585719      0.727233648       1.78136730    
 H   -3.87310314      0.109688781       2.24540925    
 H   -3.39215875       1.56575990       2.25553060    
 O   -7.20787430     -0.911035299       1.46171379    
 H   -6.83911037     -0.501163125      0.666369736    
 H   -8.10629749     -0.572656393       1.54348731    
 O   -7.03186417       5.14839411      -1.41353309    
 H   -6.19019651       4.69599056      -1.26714408    
 H   -6.89787388       6.06482124      -1.13974345    
 O   -3.45665598       1.31125736     -0.852430761    
 H   -3.33615708       1.08063507       8.77838209E-02
 H   -2.68773460      0.988315225      -1.31364942    
 O   -6.25597095       2.68027878       1.25151849    
 H   -7.14100885       2.76899123       1.62226176    
 H   -6.27031898       1.90684688      0.671021402    
 O   -4.18753386       6.41551447      0.612791538    
 H   -4.18447638       5.55312586      0.176924154    
 H   -4.09476805       6.24538088       1.55861628    
 O   -9.28426266       4.65521431      0.231124014    
 H   -9.15512371       4.01057577      0.942551613    
 H   -8.45595646       4.73410225     -0.263251513    
 O   -8.85518837       2.80751801       2.22964454    
 H   -9.21185398       1.92075026       2.08995938    
 H   -8.66023445       2.91495490       3.17028546    
 O   -7.82206202       1.00945377      -2.82921791    
 H   -7.81875420      0.559510767      -3.67000723    
 H   -8.01592922       1.94612944      -3.01266003    
 O   -4.14829683       3.04532099       3.03603053    
 H   -4.01539469       3.99098849       3.16531277    
 H   -4.91395712       2.94276071       2.44871473    
 O   -4.10666752       5.82664108       3.37918949    
 H   -3.69639421       6.34720135       4.06401300    
 H   -5.05912781       5.78308249       3.58876634    
 O   -5.21237612     -0.823068798       3.27866769    
 H   -5.06442165      -1.70146227       3.61917686    
 H   -5.95538568     -0.888676167       2.65271997    
 O   -10.9457464       3.63461900      -1.65588880    
 H   -10.4353037       4.06046867     -0.944094121    
 H   -11.7668619       4.11285925      -1.73094714    
 O   -8.52325821       3.59077168      -3.18950438    
 H   -7.97510147       4.20847321      -2.68535280    
 H   -9.41456032       3.66881013      -2.82808185    
 O   -10.0789242      0.993347347      -1.05024147    
 H   -10.4764538       1.84651434      -1.26517165    
 H   -9.33758450      0.886565268      -1.65731299    
 O   -4.66784811       3.90731192     -0.595864773    
 H   -4.12675953       3.14662766     -0.830685019    
 H   -5.25551271       3.59135675      0.109787889    
 O   -5.77405739       1.56513417       4.74455023    
 H   -5.65627527      0.696634173       4.34226370    
 H   -5.11189318       2.12768054       4.31888103    
 O   -6.72586203       5.60897207       3.87680101    
 H   -7.18284607       4.83323860       4.21438360    
 H   -7.29807711       6.02042580       3.21189189    
 O   -6.43577337       7.63713980     -0.243651450    
 H   -6.24813938       8.51307678     -0.568856239    
 H   -5.59326363       7.27068853       8.28429684E-02
 O   -9.81187630      0.273297280       1.53421855    
 H   -9.93432999      0.492957294      0.592318654    
 H   -10.5851126     -0.214352161       1.80533051    
 O   -6.16434813      0.598388672     -0.623317182    
 H   -5.23582029      0.753300190     -0.839069724    
 H   -6.68797016      0.748383462      -1.42085397    
 O   -7.95950937       3.14896917       4.82414532    
 H   -7.19313622       2.54710817       4.83968687    
 H   -8.31775284       3.16201997       5.70746660    
 O   -8.20452213       6.76000643       1.83686185    
 H   -8.74463081       6.13329268       1.34133041    
 H   -7.62497091       7.16988420       1.18282211    
          69
 Energy    -249.11067245301967     
  O     11.24902449     10.35377191    -12.11595403
  H     11.78069483      9.79839604    -11.52330907
  H     13.47430277      9.12110678     -9.84956814
  O     14.53878570      5.46436056    -14.77643806
  H     10.40788608     10.48974430    -11.68701032
  H     19.96210975      4.68673372    -11.71723227
  O     15.22497916     11.88835837    -14.99456545
  H     14.78997652      6.38016617    -14.98120308
  H     18.53812307      4.46805363    -12.28646900
  O     14.62656912      9.81454128     -8.61493963
  H     15.24560479      4.89827617    -15.10784754
  H     13.31270094     10.00857848    -17.28930470
  O     11.85566167      9.11728531    -14.65521729
  H     14.72010554     11.31139971    -15.58082244
  H     12.99069839      9.69969499    -15.80674170
  O     17.79595140     11.32638927    -14.34893030
  H     14.62736204     12.10185592    -14.26492716
  H     12.80328827      6.00139704    -14.27353291
  O     13.51859593     11.92598163    -12.78626554
  H     15.48170038      9.48014370     -8.94291263
  H     12.13029036      6.29000518    -12.92156956
  O     18.75114370      5.89935575    -14.91649709
  H     14.70187777      9.87097465     -7.66642438
  H     14.85623251      8.71914852    -15.69728120
  O     17.07140583      3.56022620    -12.60016628
  H     11.88904062      8.17474184    -14.43135948
  H     16.19371338      8.26228361    -14.98643621
  O     16.86115427      4.01138775    -15.43190800
  H     11.54687567      9.56746393    -13.86313519
  H     12.02188763      5.74424316    -10.35311795
  O     15.14556630      5.55802271    -12.07192368
  H     16.88642880     11.55237061    -14.61731111
  H     12.68723174      7.06334742    -10.81573221
  O     13.04166455      8.79291272    -10.64814739
  H     18.37345784     11.94932613    -14.78132540
  H     17.13912312      8.28245365    -10.28716497
  O     19.26599804      5.11156528    -12.21022204
  H     13.90104496     12.12918346    -11.91798729
  H     17.16897878      9.80285476    -10.24831119
  O     13.69915956      9.97557246    -16.41874735
  H     12.63593682     11.57421221    -12.62547320
  H     14.65356255     11.49004958     -9.68893320
  O     12.06385688      6.47108379    -13.86538698
  H     19.09535917      5.64507270    -14.05085569
  H     15.65250715     11.91930837    -10.76908272
  O     15.25907356      8.05517014    -15.12478823
  H     18.51453097      6.83242847    -14.83716499
  H     18.11658680      6.54720184    -11.82378253
  O     12.58146958      6.12080670    -11.02730012
  H     16.96511237      3.53237084    -13.55952707
  H     16.57363131      6.68353820    -11.86633552
  O     16.98508793      9.03034732     -9.69562864
  H     16.35410270      4.12182907    -12.27545328
  H     14.34480759     10.23472319    -12.88688584
  O     14.80718204     12.16068253    -10.36309544
  H     17.54034097      4.70213959    -15.32842472
  H     14.83690191      8.87997325    -13.48642402
  O     17.39568727      7.18815215    -11.78313301
  H     17.12529821      3.47566265    -16.17491589
  H     16.24163024     10.29367492    -11.99200909
  O     14.76281317      9.38861435    -12.67121028
  H     14.92085425      5.52523112    -13.01391879
  H     17.36951979     11.19851725    -12.51921328
  O     16.92457765     10.92324105    -11.71092562
  H     14.31332385      5.67054272    -11.60023255
  H     17.69237812      8.19664031    -13.34993164
  O     17.83666133      8.49312335    -14.26092320
  H     13.68194692      8.90985270    -11.36965111
  H     17.93732927      9.45235936    -14.25887154
          69
 Energy    -249.11047338875031     
  O     -7.84908523      2.72465832     -0.30627666
  H     -7.04961906      3.12467673     -0.69367852
  H     -5.31019011      0.77486288      4.62098731
  O     -4.17438962      2.33064148     -3.41936387
  H     -8.54258699      3.37527516     -0.37153254
  H      0.34371734      2.15014315      1.68082144
  O     -6.31054277      1.36081223      1.60043144
  H     -4.54613685      1.49057110     -3.09555073
  H     -0.67331910      0.99858434      1.82335752
  O     -3.40805558     -1.03782233      2.21586550
  H     -4.54589291      2.47708317     -4.28592282
  H     -1.43511402      2.58500159      0.58386851
  O     -1.21962584     -0.90959409     -1.52337250
  H     -5.52270802      1.26693300      1.04237693
  H     -2.54894816      3.57614173      0.13740559
  O     -5.11961133      0.08823104     -2.22671041
  H     -6.94652082      1.86891623      1.08321363
  H      0.98540854     -0.82181921      1.11264784
  O     -4.92122361     -2.90174256      0.83434284
  H     -3.89956012     -0.53120469      2.87343465
  H      2.04315995      0.26463460      0.85873833
  O     -3.72051948     -2.22810864     -1.48877346
  H     -3.97576901     -1.74042066      1.86917243
  H      2.64274692      2.79702023      0.64474302
  O     -1.54235966      1.68763609     -2.55757082
  H     -0.30837959     -1.14072938     -1.74328032
  H      1.65430934      2.07579881     -0.29963051
  O     -0.87816390     -0.70011482      1.24990246
  H     -1.39166517     -0.04775945     -1.92757897
  H     -7.92717788      0.99621560     -1.20195827
  O      1.56979825     -1.21288465     -1.85373867
  H     -4.72540759      0.32279718     -1.37241185
  H     -7.72452359     -0.47104733     -0.77767182
  O     -4.82057927      0.82574772      3.80406791
  H     -6.07895517      0.05172608     -2.09472373
  H     -3.56096592      2.23403876      3.37139407
  O     -0.54294691      1.94201731      2.00338180
  H     -4.49295244     -2.71612365     -0.02153205
  H     -2.14716429      2.61112746      2.85422342
  O     -1.99953574      2.84048350     -0.15879354
  H     -5.03784515     -3.84676695      0.88419037
  H     -6.52151755     -1.83958530      0.84409968
  O      1.89015707     -0.68604509      0.79681073
  H     -2.81538358     -1.89343807     -1.52572520
  H     -6.97772836     -0.41490676      1.22186208
  O      1.89868197      2.20080052      0.63496023
  H     -4.26311859     -1.55520658     -1.92135866
  H     -3.30322084      1.51811812      0.09128942
  O     -7.76312457      0.11238876     -1.55044110
  H     -2.34570070      1.89392463     -3.04726795
  H     -3.66994656      0.17888230      0.80530162
  O     -3.03251449      2.95960538      3.02079019
  H     -1.64014731      2.15766336     -1.71311724
  H     -3.83860089      5.46817218      1.26323018
  O     -7.28273029     -1.24760579      0.84085169
  H     -1.69589739     -0.95531164      1.69749064
  H     -3.64688189      4.01469556      1.75371312
  O     -3.99012569      0.84887366      0.18836652
  H     -1.04152251     -0.76903006      0.29834067
  H     -4.97551014      3.36369249     -1.93226998
  O     -3.85324630      4.55970135      0.97287029
  H      2.18095902     -1.85574332     -2.20221403
  H     -4.93333771      4.03007904     -0.52408623
  O     -5.51970157      3.74960719     -1.23700995
  H      1.77275907     -1.11239038     -0.90629244
  H      0.34021289      1.75043115     -2.30633000
  O      1.23008185      1.63289910     -1.95060427
  H     -5.45788496      1.06105677      3.10642108
  H      1.43270747      0.69558804     -2.06236059
          69
 Energy    -249.11021542400042     
  O     11.14184066      6.29387624    -14.68966737
  H     11.10239783      6.61811787    -13.77156721
  H     19.67963396      7.63883993    -13.61433133
  O     16.51922601      5.90676162    -12.59089809
  H     10.24253345      6.24175843    -15.00159764
  H     16.80321635     11.77217264    -14.06394157
  O     17.26791734      9.63708332    -11.01666273
  H     16.54791732      6.80968975    -12.94121552
  H     17.73734044     10.90861113    -14.93665168
  O     17.62979104      9.29678685    -15.83739413
  H     17.31415311      5.79087859    -12.05049218
  H     15.50411890      8.81173529    -13.56744971
  O     12.72344379      4.08155916    -13.64470764
  H     18.08015347     10.09408896    -11.26542951
  H     16.91539481      8.79397922    -14.19304104
  O     14.81038570      6.55490796    -10.53702956
  H     16.96469780      9.20225085    -11.82832447
  H     11.52203174      6.26045277    -11.60660373
  O     14.91448243     11.90373352    -13.75322952
  H     16.93690100      8.95026701    -16.41380403
  H     11.75301116      7.76409271    -11.80585579
  O     17.17718684      5.81124212    -16.38141606
  H     18.33331743      8.63379978    -15.80302853
  H     12.49962605      4.31298373    -10.12282142
  O     16.97876271      7.67626103     -9.12932708
  H     12.70163652      4.25862642    -12.69623112
  H     13.41016506      5.43337244    -10.66985251
  O     19.35849429      7.13967651    -15.45324014
  H     12.10121570      4.70248040    -14.04139101
  H     20.16541694     11.37138410    -12.22795826
  O     15.12498606      4.92086129    -14.70048902
  H     15.44810026      6.88309172     -9.89167451
  H     18.87025885     11.10760864    -13.03115298
  O     19.83216794      7.88006132    -12.69317786
  H     15.33889398      6.25294116    -11.29142046
  H     18.25893309      6.55456269    -10.21592489
  O     17.73184913     11.59733475    -14.25722491
  H     14.35876504     12.58374467    -14.12729096
  H     19.15827462      6.70748485    -11.47143272
  O     16.41224938      8.52242557    -13.41626420
  H     14.48138001     11.05531858    -13.94572660
  H     15.69202689     10.64498979    -10.87679321
  O     11.19044279      7.03016915    -12.08637969
  H     16.52307608      5.33692001    -15.85035904
  H     14.84434606     11.48899649    -11.83823533
  O     12.63051031      4.89028671    -10.87113111
  H     16.67934658      6.48054671    -16.86425213
  H     12.73566184      6.85372329    -15.41388887
  O     19.45666658     10.74457592    -12.34333843
  H     17.11337199      8.42092720     -9.74066263
  H     14.19979218      6.36714185    -15.26742491
  O     18.67117217      6.06301187    -10.93359311
  H     17.18466040      7.99844235     -8.25556769
  H     13.70821696      9.59468532    -11.11391817
  O     14.80947254     11.02095834    -10.99585869
  H     18.61959367      6.56619426    -15.72424431
  H     13.80660859      8.03973718    -11.06097257
  O     13.65305369      7.10027173    -15.58908237
  H     20.14018236      6.79013752    -15.87413985
  H     13.69148511      8.62325210    -14.58422862
  O     13.26567219      8.77466225    -11.37892993
  H     15.64759429      5.16112554    -13.91971102
  H     13.50873316      9.14650443    -13.12004433
  O     13.82478012      9.38426654    -14.00510796
  H     14.33533336      4.46341423    -14.37980416
  H     14.82927663      7.74333263    -16.78523674
  O     15.57610225      8.02608354    -17.33832609
  H     19.76853987      8.84006677    -12.64126502
  H     15.22952918      8.15994911    -18.21727555
          69
 Energy    -249.10995880626092     
  O      2.13641276     -0.48598259      3.63659865
  H      1.59380650      0.29969777      3.49659684
  H     -0.05650618     -1.11861915     -0.78217605
  O      1.25496430      2.03549343      6.22087229
  H      1.71613274     -1.20755899      3.14811037
  H     -2.91733304      0.28621219      1.94192636
  O     -0.68948079     -3.81671246      7.77334791
  H      1.11299174      1.07518713      6.24093238
  H     -2.06825597      1.50786098      1.56570494
  O     -0.76718330      0.41003794      8.98284613
  H      0.45690897      2.42013931      6.60282641
  H     -2.18042210      0.55448138      5.07138040
  O      3.71083942     -3.38976249      6.27898816
  H      0.17681139     -3.41917906      7.94122703
  H     -2.52739859      1.46186053      3.85076161
  O      0.73102398     -2.51157258      2.39787362
  H     -1.33875190     -3.16754257      8.06669289
  H     -1.92055940     -1.45414760      0.99537064
  O      1.84952979     -4.13344727      4.45663035
  H      0.18361205      0.31866809      9.11627575
  H     -2.47547012     -2.07690446      2.28792801
  O      4.24196657     -0.67830543      5.52158028
  H     -0.90857835      1.16637572      8.40172075
  H     -1.86286683      3.34587190      7.35761163
  O      3.54582697      1.10112074      7.53296263
  H      3.07399657     -3.67576371      5.59900355
  H     -1.69448826      2.24786090      6.28439389
  O      2.05871303     -0.07581235      9.43851439
  H      4.38572021     -4.06189859      6.32251628
  H      0.12898903      1.75534815      1.83369595
  O     -1.66000922     -2.93754594      3.76531311
  H     -0.10669344     -2.63766535      2.86869716
  H      0.12440123      2.45345283      0.45815146
  O     -0.18279475     -1.04799621      0.16125980
  H      0.50726593     -2.11222821      1.54906551
  H      1.29570534     -0.80086350      5.24909858
  O     -2.81176285      1.23544284      2.11097769
  H      1.61585856     -3.66271723      3.64794294
  H      1.09853923     -1.34329960      6.70132303
  O     -2.13823627      1.46316960      4.73784416
  H      1.02538069     -4.51351807      4.78591443
  H     -0.72502298     -4.62261457      6.25238191
  O     -2.70101341     -1.48272267      1.56045093
  H      4.17035334     -1.60811776      5.76748907
  H     -0.96471222     -5.94626281      5.48694096
  O     -1.34257414      2.57996135      7.12809479
  H      3.65589923     -0.56554510      4.76195558
  H     -1.83571700     -0.93425553      8.71706215
  O     -0.13644546      1.65118469      0.90428521
  H      3.89746334      0.50058611      6.85854710
  H     -3.16595950     -1.64014938      9.07439093
  O      0.75314247     -0.72682973      6.04466188
  H      2.89221931      1.64936173      7.08038547
  H      2.51672614     -2.77208392      7.55712852
  O     -0.69568514     -5.03902152      5.37163412
  H      2.63562980      0.36712072      8.78959495
  H      1.95446060     -1.72848096      8.59749074
  O     -2.43173921     -1.66364326      8.46712773
  H      2.42419962      0.10706987     10.29994576
  H      0.90280095      2.07635665      4.37099245
  O      1.72411125     -2.46562537      8.01727814
  H     -1.43469472     -3.74709431      4.23999558
  H     -0.47749952      1.61873749      3.90429048
  O      0.42089199      1.78707249      3.58538964
  H     -1.83920968     -2.27189845      4.44516540
  H     -0.97471556     -0.95124592      5.87680133
  O     -1.93471559     -1.06122879      5.77350224
  H     -0.13728138     -0.10376904      0.37927659
  H     -2.27611768     -1.29714185      6.64347270
          69
 Energy    -249.10993918744086     
  O     -2.57254329      5.16361513      3.24100144
  H     -2.47350438      4.78925679      2.35743559
  H     -3.58830617     -4.11726625      1.78375562
  O      0.98954812      1.27668869      1.04099744
  H     -1.90758548      4.73422394      3.79625149
  H     -1.42105174      2.85871646     -0.33259384
  O     -1.16929835     -0.53848671      3.44815142
  H      0.45999926      1.69115320      0.35140023
  H     -0.54588649      2.94019514     -1.60367496
  O     -4.35627644      0.68118494      0.55773658
  H      0.77030313      0.33640181      1.00100276
  H     -5.25802001      5.41246572      4.92019401
  O     -2.68389186     -2.98333483     -1.09506533
  H     -1.94518531     -1.07293289      3.66267115
  H     -4.12292565      4.91627644      3.99025122
  O     -0.22797370     -1.30672215      0.95879530
  H     -0.79750274     -0.88662704      2.62504315
  H     -2.53669305      2.88199332      1.53859279
  O     -4.79710728     -0.01306068      5.47395782
  H     -3.85237125      0.93068447      1.35068063
  H     -3.45752755      3.61810007      0.53733773
  O     -6.89695776      0.46952711      3.85970697
  H     -4.76014127      1.49429396      0.23351359
  H     -5.89837529      3.54832735      3.28468361
  O     -0.89922698      3.68592760      5.00196394
  H     -2.53452708     -2.03098691     -1.15815705
  H     -6.50706423      2.13975029      3.03465775
  O     -2.11974399     -0.20759411     -0.81341664
  H     -3.51654437     -3.10621720     -0.62199038
  H     -5.68638038      3.21463652      1.01960993
  O     -5.64357992     -1.24449917      1.99185315
  H     -0.89246019     -0.95437080      0.34971698
  H     -5.90715612      3.74864319     -0.41835033
  O     -2.86221395     -4.20809590      2.41343046
  H     -0.23615985     -2.26464331      0.84635067
  H     -3.24321168     -2.80774536      3.49334391
  O     -0.85863701      2.34003463     -0.93096554
  H     -4.23327426      0.76929401      5.53702231
  H     -4.23565325     -1.66550684      3.21539838
  O     -4.93700324      4.64574675      4.45338819
  H     -4.26097820     -0.72438657      5.10051065
  H     -0.03217439      0.89471185      3.85357548
  O     -2.55013507      3.58388233      0.86777007
  H     -7.71433257      0.33646261      4.33281230
  H      0.72927728      1.72081302      2.81275633
  O     -6.28081379      2.97485273      2.60866152
  H     -6.17614899      0.30837094      4.49623710
  H     -4.01280362      3.16448713      5.13177387
  O     -5.27742601      3.29888018      0.13747736
  H     -0.31500867      4.04527487      5.66395461
  H     -2.51842801      2.80045540      5.31157335
  O     -3.53690286     -1.94446720      3.82039638
  H     -0.38923592      3.00724684      4.52201767
  H     -5.73607141     -4.02620117      0.34009591
  O      0.42009132      1.73946419      3.72905802
  H     -1.65289278      0.61326447     -1.01211530
  H     -5.29620775     -2.74001284      1.07099449
  O     -3.40722356      2.42331314      5.26254457
  H     -2.94731098      0.05553361     -0.38613595
  H     -0.24487353     -4.73665050      0.05763269
  O     -4.97105509     -3.50088655      0.56276349
  H     -6.20348010     -0.74681999      2.59907505
  H     -1.40190373     -3.73042133     -0.16105672
  O     -0.73182792     -4.03351840      0.47871107
  H     -5.24103670     -0.58990277      1.40053422
  H     -3.16117461      1.83890237      3.51478829
  O     -2.84348118      1.51103264      2.66570088
  H     -2.05946214     -4.21950075      1.87884630
  H     -2.16991475      0.84688890      2.86476491
          69
 Energy    -249.10971330286577     
  O     10.02249323     12.56958218    -11.30338213
  H     10.58330559     13.23278435    -10.87206670
  H     12.57642209     12.90797085    -13.30853889
  O     14.02479172      9.25181258    -17.27906459
  H     10.22159825     12.60808522    -12.24546748
  H     15.82915231      8.94918936    -10.88738719
  O     11.53324245      8.12086684    -11.60672862
  H     13.06167696      9.38327823    -17.21115286
  H     16.80172917     10.15127153    -10.87970597
  O     14.39446714      9.37807829    -14.49752257
  H     14.17446720      8.67190336    -18.02026604
  H     14.01716082     16.08981712    -11.89598696
  O     12.65807274     13.10825142     -7.44388931
  H     10.97760869      7.41441305    -11.28903736
  H     13.84923537     14.56033723    -12.05244287
  O     14.34270394     12.06965581    -16.77201989
  H     11.34270243      8.90139904    -11.05620165
  H     14.43815961      8.74737166    -12.80701430
  O     11.62999447      9.59308306    -14.03064233
  H     14.82448796     10.24036585    -14.39997097
  H     13.43190657      8.29067544    -11.71914940
  O     13.80139139     11.25737910    -10.90413541
  H     14.37071421      9.18399126    -15.44211497
  H     18.28577915     11.73699312    -12.11476423
  O     12.38709326     10.40818975     -7.63726984
  H     12.47338775     12.15203371     -7.44267496
  H     17.02520398     12.41705378    -11.53428488
  O     16.37870786     13.73341433    -10.61749940
  H     12.34355593     13.45154736     -6.61182081
  H     11.12547449     12.55136552    -14.94330582
  O     11.26953461     10.42209457    -10.21154775
  H     14.36629098     11.14760158    -17.05689085
  H     11.15686537     11.36160226    -13.95722419
  O     13.43751365     13.07700061    -12.90567078
  H     14.88078750     12.11237237    -15.97144271
  H     15.23542438     11.48891525     -8.22060822
  O     16.45798125      9.43493152    -10.33342054
  H     12.58573992      9.56225528    -14.18110642
  H     14.31693845     12.73997101     -8.15664812
  O     14.10705726     15.26241268    -11.42938896
  H     11.45957977      9.03698421    -13.26257186
  H     14.82416492     12.38062550    -13.78810896
  O     14.33602127      8.59682761    -11.85609420
  H     14.30026300     11.60753257    -10.15629399
  H     16.23354314     11.78657993    -13.53456195
  O     17.34170318     11.63346084    -12.01997720
  H     14.17058378     10.40166576    -11.15381219
  H     11.48890427     13.35048289    -17.38910000
  O     11.02911506     12.32043316    -14.01105299
  H     11.89748082     10.29734954     -8.46450008
  H     12.64540471     12.54815653    -16.74776984
  O     15.08759767     12.36368582     -8.60225186
  H     13.25872491     10.01736484     -7.76827933
  H     15.66620638      9.13716880     -7.26582312
  O     15.54312442     11.87864877    -14.20181281
  H     15.70336543     14.36338869    -10.89430425
  H     15.69483134      9.51957110     -8.76211086
  O     11.68132522     12.68424813    -16.73467762
  H     16.03557590     13.32557501     -9.80898999
  H     12.07141026     13.90716781     -9.08623360
  O     15.21299192      9.65456512     -7.92662444
  H     10.66010690     11.10427453    -10.53042814
  H     12.58771309     14.66497696    -10.32755302
  O     11.80731960     14.24598412     -9.94973632
  H     12.15446623     10.75293510    -10.42826586
  H     11.29048423      9.63013876    -15.89593963
  O     11.40646914      9.82852625    -16.83513021
  H     13.52937105     12.45714031    -12.16451575
  H     11.34635649     10.78970460    -16.90494767
          69
 Energy    -249.10873770112792     
  O     11.33555398      9.52650696    -13.46190908
  H     11.64051440      9.43386668    -14.37678366
  H     19.65458449     10.40786032    -15.21280144
  O     16.34101477      6.49263970    -14.56419362
  H     11.82796085     10.26878314    -13.09613635
  H     13.87146954      8.66699277    -14.61866509
  O     17.10637791      9.29292534    -11.07529722
  H     15.87521765      5.90784615    -13.95192245
  H     15.15525455      7.85839916    -14.24138570
  O     15.24344472     11.20308406    -14.25343232
  H     17.07916483      6.89520788    -14.08617047
  H     11.23914450      7.90703359    -12.81344381
  O     12.98658477      6.56125444    -16.98617249
  H     16.14008836      9.32696749    -11.10245516
  H     10.29271322      6.79134569    -12.31767312
  O     15.56855978      5.71456102     -9.24488317
  H     17.34482966      8.74432354    -10.31778476
  H     18.48223346      6.38705076    -10.48097431
  O     14.83238107      5.04757770    -12.73842747
  H     15.56583861     11.19633975    -15.16040266
  H     18.68687503      6.47099384    -12.00512887
  O     14.34078962      9.30611397    -11.36766612
  H     15.08753471     10.26289245    -14.06996448
  H     13.41985433      5.19693566    -13.98591335
  O     16.44590424     10.18300728    -16.66203381
  H     12.57393050      5.99008032    -17.62809390
  H     12.11096070      5.99726595    -13.88498395
  O     16.78359857      3.89195299    -11.10421293
  H     12.88521419      6.12696057    -16.11972172
  H     16.81424371     11.48262496    -13.25960163
  O     15.70721933      7.55989551    -17.03214702
  H     14.76140274      6.01357645     -9.68351251
  H     17.58493099     10.79357725    -12.11675152
  O     18.79408713     10.07596294    -14.96847486
  H     15.90541912      4.98017361     -9.77319764
  H     17.85789854      8.38800668    -12.48534727
  O     14.56156812      8.56003980    -13.95114197
  H     14.40966920      5.64538103    -12.10599075
  H     18.57060322      8.53855761    -13.85330727
  O     11.20714195      6.98219541    -12.51092699
  H     15.46306364      4.51750545    -12.23556187
  H     17.97825662      7.48101312     -8.16730272
  O     18.65640421      5.85139847    -11.26520877
  H     14.38113728      8.93233060    -12.26591519
  H     16.88786046      6.84326522     -9.06161151
  O     12.67240283      5.51771170    -14.50597698
  H     13.87832376     10.14475996    -11.46580632
  H     13.90341348     11.32565322    -18.38235898
  O     17.69197127     11.39877726    -12.86256636
  H     17.28752959     10.15913967    -16.19481155
  H     14.86375456     10.70037826    -17.35851615
  O     18.29143322      7.89147211    -13.19527834
  H     16.20310848      9.25646969    -16.82900857
  H     12.64541157      6.72004732    -11.33957370
  O     17.67375709      7.41893740     -9.06854493
  H     17.50390777      4.53891975    -11.21346070
  H     13.79344761      7.64076881    -10.89313895
  O     13.92854970     10.89367668    -17.53230950
  H     17.19246865      3.03602519    -11.01145502
  H     13.82836606     11.62241346    -13.16978733
  O     13.49998632      6.71849048    -10.88986318
  H     16.04272685      7.07174764    -16.26621973
  H     12.92567221     12.53327533    -12.31173825
  O     13.12063820     11.61948614    -12.50439896
  H     14.80930880      7.23567122    -17.16119350
  H     12.98941475      9.76244179    -16.47300807
  O     12.59740907      9.09402774    -15.89353224
  H     18.48511170     10.62008309    -14.22173038
  H     12.61644982      8.25318667    -16.36848110
          69
 Energy    -249.10781053472749     
  O     -5.89667427      1.05881593      6.35425659
  H     -5.09965038      1.59460978      6.26877162
  H     -4.74491211     -1.18032220      1.85754883
  O     -8.37090877     -2.34775000      4.66561206
  H     -6.45320003      1.31225356      5.60006327
  H    -10.64276797      1.06109537      5.36808969
  O     -8.04313324      4.10431673      5.86273642
  H     -8.44355385     -3.29772923      4.64648962
  H    -10.74891843      2.30416864      4.39520463
  O    -13.52338166      3.01619111      5.68453341
  H     -7.45360361     -2.13718515      4.91784215
  H    -11.63724582      6.08443145      5.71687564
  O     -7.46210758      1.92729169      4.28517416
  H     -8.65844953      3.85419951      6.56142169
  H    -11.87045487      7.49930106      5.13876821
  O     -8.06353858      0.85111907      8.05611337
  H     -7.90660135      3.31034849      5.32268521
  H    -13.28349796      4.08229375      4.08657252
  O     -9.93003692      2.97528252      7.53450834
  H    -14.19298976      2.37145995      5.89601372
  H    -12.52138578      5.38154620      3.79421608
  O    -11.91685175      4.95070358      7.01806625
  H    -12.70096055      2.52213088      5.51625897
  H     -7.09313797     -0.46040386      2.53887798
  O     -6.66177218      5.95020756      2.70752976
  H     -7.84132980      1.15096453      3.85652096
  H     -8.32959850     -1.04658797      3.24650573
  O     -4.21239098      1.70330328      2.95135833
  H     -7.01393289      2.42094328      3.58391642
  H     -8.75674628      5.19291835      4.66333000
  O    -10.45033516      3.38011701      2.89395925
  H     -7.81437822      0.42838157      8.87470901
  H     -9.91271079      6.12016013      4.19348649
  O     -5.23713757     -0.75265650      2.55301578
  H     -7.24743537      0.95578559      7.53991546
  H     -6.45111837      4.17512065      2.15894408
  O    -11.08234336      1.91036271      5.21140792
  H    -10.35197994      2.60550696      6.74242654
  H     -7.13730536      2.87409407      1.60647230
  O    -11.52635935      6.63678533      4.92218589
  H     -9.34726647      2.28628580      7.87460072
  H     -9.32399735     -1.06559959      5.59277140
  O    -12.89233756      4.59786997      3.37015086
  H    -11.22581061      4.39254722      7.39497653
  H     -9.16079869     -0.02694283      6.73062143
  O     -8.03836860     -0.31596974      2.68918464
  H    -12.58758003      4.34211895      6.68016193
  H     -5.51297399     -1.34141885      4.31895508
  O     -9.10399330      5.68208823      3.90072725
  H     -6.56642695      6.74746336      2.19303158
  H     -5.76512333     -0.72004854      5.70639980
  O     -6.35817989      3.21998989      2.07037169
  H     -7.56744472      5.95129581      3.06233965
  H     -4.38153722      3.62565280      5.43929068
  O     -9.73361802     -0.29475746      6.00278599
  H     -4.86207596      2.29896847      2.54955279
  H     -3.00025732      3.12410434      5.92010671
  O     -5.83978488     -1.54234716      5.20637578
  H     -4.00867442      2.06475621      3.82094583
  H     -9.36714165      2.46197869      1.67699920
  O     -3.84078708      2.82780225      5.58122303
  H     -9.90140623      4.13079400      3.15256876
  H     -8.57480864      1.14543340      1.53556338
  O     -8.65934809      2.03629008      1.17312512
  H    -11.35735936      3.71931683      2.87975512
  H     -5.70142801      5.37129056      4.33025255
  O     -5.47760458      4.94963937      5.16689275
  H     -4.82483764      0.11924452      2.69063061
  H     -6.32601867      4.73583377      5.58023328
          69
 Energy    -249.10771990958170     
  O     16.42846465     10.12131608    -15.43937125
  H     17.19387995      9.52675810    -15.44028710
  H     14.37078018     12.05536170    -12.00464292
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  H     15.63920820      9.59134592    -15.61977634
  H     16.46265242      4.49270272    -15.04431550
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  H     15.18589463      7.76800830     -8.19979057
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  H     15.55449295      7.27353167    -10.74807476
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  H     16.73697623     11.81002014    -15.08501549
  H     17.68662570      5.65983472    -16.36147464
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  O     18.04681546      6.52838398    -13.13698640
  H     13.06967093      9.86476089    -10.75315500
  H     15.97526408      6.60727409    -17.46399132
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  H     14.39683036      7.93226665    -16.42650142
  H     14.88853162      6.52144726    -18.56264960
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  H     16.14305794      9.80027923    -13.66800739
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  H     19.34156258      8.84504207    -14.93868229
  H     15.25422242     10.15614433    -12.43430405
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  H     18.33238077      7.77235441    -14.44649463
  H     18.52192411     12.24147680    -13.76384648
  O     17.42439169      4.42226910    -14.90490566
  H     20.25157761     10.59736597    -13.86304009
  H     18.88037721     11.51845767    -12.44119042
  O     15.75355449      7.13385748    -11.68065528
  H     21.60275570     10.05095449    -14.38467788
  H     17.40067406     10.13870628    -11.73764661
  O     17.63748526      6.41118744    -16.96556504
  H     17.90135860      5.73807055    -13.67218731
  H     18.77259921      9.68154258    -11.20016646
  O     15.01625684      6.66052399    -17.62835152
  H     17.26867969      6.63244797    -12.57208392
  H     14.43508670      6.72677975    -12.86544207
  O     16.00432372      9.62479021    -12.73089739
  H     11.87335515      8.24171227    -11.70357983
  H     12.93776180      6.95311117    -13.22196533
  O     19.25855284     11.89561377    -13.24846637
  H     10.58679353      7.64287652    -12.32476973
  H     19.32364729      7.59799789    -12.17650480
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  H     16.01626307     13.15864931    -13.25515968
  H     20.28219414      8.73865859    -12.56000929
  O     13.78191877      6.64486890    -13.57406470
  H     16.13707394     13.84410236    -11.88624315
  H     16.73968384     10.63415436     -9.94994650
  O     19.83956701      8.32667052    -11.80822529
  H     13.10224964      9.70722291    -14.64762612
  H     15.25353671     11.01660919    -10.13726458
  O     15.87172141     10.61510044     -9.51984558
  H     12.09266864      9.39943590    -13.53340794
  H     14.73965593      5.33275556    -16.23209306
  O     14.79166544      4.81540933    -15.41973384
  H     13.39935536     10.95850163    -12.56468858
  H     14.35254671      5.34652080    -14.74056128
          69
 Energy    -249.10682125386052     
  O     -2.84039998     -0.75337466      0.24225443
  H     -2.10600673     -0.90191601     -0.36850865
  H      0.39393356     -1.58727565      1.31783826
  O     -2.23084577      1.68375013      1.53951794
  H     -3.59649881     -0.47841285     -0.29162806
  H     -2.92858950     -2.13818997      1.42519268
  O     -1.29436817     -1.57090843      4.04580525
  H     -2.39210133      0.79823661      1.18646957
  H     -2.48739110     -2.39032667      2.88018628
  O      3.22975272     -2.46031062      0.84977996
  H     -1.53929698      2.08337993      0.99491445
  H      1.52285810     -0.48176580      3.11201419
  O     -0.74453804     -1.05631349     -1.62190549
  H     -0.98701226     -0.92523358      4.68991469
  H      2.60529989     -1.23743974      3.90060037
  O     -2.43200926      0.67153621     -2.95188382
  H     -0.70144422     -2.33963575      4.10601874
  H      0.08021259     -2.45244054     -0.66516521
  O     -4.83567656      0.36376753     -1.40373703
  H      2.38121428     -2.67273595      0.43684394
  H      0.04435197     -3.59808845      0.40843354
  O     -1.96377584      3.37919994     -2.02559693
  H      3.47868449     -1.58059002      0.54361568
  H     -1.34806657     -5.55151242      1.36141750
  O     -0.17035111      2.95803020      0.00282637
  H     -0.04751190     -0.45764371     -1.31678911
  H     -1.69509663     -4.07783473      1.68744415
  O      3.83206497      0.24107571      0.07807267
  H     -1.29519975     -0.54048997     -2.22926467
  H     -0.50423278      1.77283197      4.40443913
  O      1.09958745      0.58885089     -0.35671606
  H     -2.23195011      1.59102770     -2.73896761
  H     -1.32839044      2.11032077      3.12643456
  O      0.27647813     -0.79285069      1.85758540
  H     -3.31235381      0.51186625     -2.58939861
  H      3.89090707     -3.52403165      3.75058917
  O     -2.82038893     -2.83387749      2.08809659
  H     -5.77252959      0.25016531     -1.53582427
  H      3.22612172     -2.83624286      2.53374064
  O      2.14611708     -0.39034325      3.85079712
  H     -4.70947920      1.24436401     -1.00676617
  H      0.06034528     -4.18230764      3.07286896
  O      0.58821004     -2.89594772      0.02732302
  H     -1.74229743      4.14574064     -2.54850317
  H      1.32750701     -3.56051961      3.72055675
  O     -0.96204567     -4.68914487      1.48602541
  H     -1.28661541      3.30951214     -1.33171438
  H      0.91288070      0.12486972      5.05364960
  O     -0.66803199      2.45426788      3.74368985
  H      0.31822212      2.15407762     -0.23271176
  H      0.36301279      0.44163353      6.46531391
  O      3.14527245     -2.98904356      3.49315617
  H      0.31333873      3.36157153      0.73340281
  H      2.97032431      1.03532730      2.95903708
  O      0.38675146     -3.72388113      3.85661720
  H      3.70851004      0.78478937      0.87780455
  H      2.61992641      2.38867144      2.29419937
  O      0.11550744      0.38403790      5.54605492
  H      4.63955237      0.53391698     -0.33526728
  H     -3.50213505      3.09502742     -0.91738501
  O      3.26884442      1.67504796      2.29897272
  H      2.05867412      0.48895359     -0.36888409
  H     -3.63447941      2.49017510      0.48937093
  O     -4.14693444      2.74427203     -0.28956764
  H      0.79228013      0.20922252      0.48263687
  H      0.56636596      3.28395996      2.89265250
  O      1.23781639      3.70803452      2.32614571
  H     -0.40665900     -0.99100767      2.51055491
  H      1.40220269      4.57157262      2.69587804
          69
 Energy    -249.10677299071000     
  O     13.02278598      9.67603997    -10.65026053
  H     13.38776299     10.31432581    -10.02571046
  H     13.35091230     16.11900650     -7.71979819
  O     11.08981835      6.42944806    -12.07556880
  H     13.72659930      9.03237273    -10.80539984
  H     10.53610075     12.03360242    -10.96718696
  O     14.21211661     11.22826687     -8.64061810
  H     10.42365791      6.03059489    -12.63056726
  H     11.94198436     12.60081265    -11.35780986
  O     15.17641876      7.91702223    -11.01022335
  H     11.11500579      7.37339128    -12.30874509
  H     12.93757199      9.58349390     -6.68188562
  O     13.53094558     15.53247698    -12.50236941
  H     14.23681089     10.53451908     -7.97141035
  H     14.15108217      9.13327840     -5.83314921
  O     10.76013139      8.95098281     -9.15771623
  H     13.48804995     11.82798682     -8.40792859
  H     11.02129560      9.90436611     -7.59010318
  O     13.54652033     12.72172688    -12.33726954
  H     14.92169525      7.54029607    -10.15451262
  H     11.49221161     11.31043416     -7.16030793
  O     15.10445274     15.04622281    -10.14672372
  H     14.80097249      7.36616886    -11.71313464
  H     13.99683543      7.75718599     -7.96583427
  O     11.41211123      6.19604403     -9.32325821
  H     13.46153391     16.21787759    -13.16060230
  H     13.19849861      6.74141584     -8.81277433
  O     11.49075741     15.52206885    -10.71572032
  H     12.75272283     15.61715600    -11.92171444
  H     15.29016087     11.95437593     -9.82850098
  O     14.67898290     10.64708227    -13.84751211
  H     10.81982427      7.99260819     -9.07909958
  H     16.18464808     11.59958405    -11.04191515
  O     13.11161690     15.42536414     -8.32838826
  H     11.55498012      9.21784942     -9.64402878
  H     11.96992713      9.39894730    -12.10277204
  O     11.17568023     12.73508288    -10.78462514
  H     13.54348968     13.66277797    -12.55490801
  H     11.90416734      9.00395152    -13.60358731
  O     13.82923492      9.19313374     -6.72886210
  H     14.27827979     12.59053812    -11.71683623
  H      9.73683423      9.99134190    -10.41924817
  O     11.40557714     10.39888327     -6.85228500
  H     14.71393208     15.29643498    -10.99339935
  H      9.99223738     10.06316351    -11.92723538
  O     14.08613002      7.08025027     -8.64834270
  H     15.48108648     14.16614817    -10.27699891
  H     13.77913013      9.39659120    -14.56507199
  O     15.72781191     12.32992415    -10.60854971
  H     11.30589153      6.20724076    -10.28797846
  H     13.21157566      8.72130891    -15.83728042
  O     11.37922391      9.06464445    -12.79623703
  H     11.03664197      5.37498737     -9.01379850
  H     17.57843730      9.70602318    -12.07607445
  O      9.55891353     10.53033880    -11.20134772
  H     11.19376715     14.60188544    -10.76456821
  H     16.20612343      9.23674145    -11.54236558
  O     13.21162166      8.67054269    -14.88585318
  H     11.90710641     15.61552897     -9.85037877
  H     12.96531221      6.35659761    -12.70632564
  O     16.68748782     10.00076555    -11.90509634
  H     15.42202682     10.43667378    -13.27046230
  H     13.69654688      7.23141597    -13.73536952
  O     13.84354995      6.59875127    -13.01969059
  H     14.20806486     11.37865178    -13.42600625
  H     12.36159125     13.74233486     -8.06768665
  O     12.03059970     12.84048436     -8.16069329
  H     13.87474932     15.29518208     -8.91953055
  H     11.64944699     12.77829450     -9.04999975
          69
 Energy    -249.10602076266588     
  O     -3.55835243      0.02328324      3.58117546
  H     -3.11891497      0.83868343      3.85132325
  H     -3.54181135      1.64596200     -1.66401327
  O     -1.06573506      3.92151694      2.08257296
  H     -2.86119200     -0.55452752      3.24076755
  H     -6.30903685      5.48198370     -0.05330066
  O     -1.41122659     -1.29941670      2.44933754
  H     -1.77848612      4.09090939      1.44116160
  H     -6.12088467      3.98041899     -0.37561024
  O     -4.50259076     -1.27671104     -2.33238473
  H     -0.62721684      4.75615508      2.22696298
  H      0.00201088      2.42072875      1.56200360
  O     -2.08704966     -2.43915226     -1.34059122
  H     -1.32048016     -0.85797861      1.59112142
  H      0.05307482      1.04382298      0.85008634
  O     -4.65087463      0.92015890      1.20832590
  H     -0.77650610     -0.87712735      3.04023726
  H     -4.67415507      3.44971753      5.52868551
  O     -6.04961929      2.99851344      2.42068089
  H     -3.66168434     -1.67575394     -2.08067431
  H     -3.52744683      3.13189089      4.56054060
  O     -8.18038316      0.46016528     -0.25076686
  H     -5.07120597     -1.33851592     -1.55181336
  H     -3.92659148      4.53563946      0.26874789
  O     -4.75427855      1.30639230     -3.03459431
  H     -2.42523330     -2.79181596     -0.49700376
  H     -2.95371578      3.45006860     -0.23012562
  O     -6.00406183     -1.17713289      0.01575323
  H     -1.60856437     -3.14893926     -1.76092486
  H     -6.74824709     -0.49042499      3.36131326
  O     -5.65755473     -3.16611328      1.95580992
  H     -4.23111055      0.54479558      1.99305898
  H     -5.27740804     -0.71659103      3.81020642
  O     -3.04715282      1.74035351     -0.84185805
  H     -5.19919678      1.64848599      1.52945069
  H     -1.20281370      1.66687709      4.28490005
  O     -5.82006082      4.70495694      0.20336070
  H     -5.49641141      3.24462684      3.17522035
  H     -1.68670648      2.86288649      3.44136447
  O      0.49708386      1.59338157      1.50947893
  H     -6.00559905      3.70729128      1.76800843
  H      0.44632647      0.86469440      3.08415077
  O     -4.41602066      3.51320438      4.61121394
  H     -7.47608723     -0.20907121     -0.21025195
  H      1.08656394      0.33678096      4.39317192
  O     -2.99652263      4.28461028      0.25845059
  H     -8.93834611      0.03699071     -0.64671100
  H     -7.30385900      1.64845488      2.65247776
  O     -6.12206869     -1.16228450      3.66829169
  H     -4.65531289      1.42563970     -3.97506368
  H     -8.06805325      0.71813298      1.70328182
  O     -1.94463856      2.27193133      4.16389820
  H     -4.68307464      0.34970015     -2.86158444
  H     -2.41166214     -2.71645676      1.71012806
  O      0.25212755      0.45388183      3.94754284
  H     -5.95459509     -1.93413152      0.61167671
  H     -3.84214059     -3.25226001      1.43167190
  O     -7.80174379      0.81959825      2.62326530
  H     -5.52540307     -0.44992608      0.44412889
  H     -1.75644938      0.58568835     -0.37959123
  O     -2.93837321     -3.24360960      1.09500241
  H     -5.84449864     -2.48689485      2.63083044
  H     -1.32907737     -0.88201246     -0.59500639
  O     -1.13417150     -0.09178566     -0.07667358
  H     -6.14269606     -3.94629291      2.20931631
  H     -7.20996639      1.92853225     -0.95685755
  O     -6.62149668      2.60924282     -1.30523212
  H     -3.63680292      1.45781808     -0.12322496
  H     -6.03724156      2.17294212     -1.93692951
          69
 Energy    -249.10481690162868     
  O     -4.94626281      3.13224714      3.84045187
  H     -5.46410347      2.97372057      4.62433312
  H     -5.97404041      2.92142452     -1.43340803
  O     -2.41698767     -1.79469779      0.99107526
  H     -4.26857286      3.79372354      4.07460197
  H      0.36750587     -1.17331411     -0.06794464
  O     -2.54283687      3.54288509     -1.85813148
  H     -3.01645234     -1.12311918      0.64186331
  H      0.41502856     -2.26690496     -1.15694712
  O     -3.68124623      0.59692929     -0.06177718
  H     -1.72330181     -1.88855460      0.32726404
  H     -0.61186248      3.78299601      3.15605548
  O      2.81802403      0.96052996      3.12297344
  H     -2.10692151      2.68740698     -1.93885415
  H     -0.10167901      3.11338960      4.45009817
  O      0.89159576      5.90124947      0.35343284
  H     -3.46052062      3.34476301     -1.63098962
  H     -2.85555527      6.18676948      1.08385077
  O     -1.13657957      3.36185742      1.54281267
  H     -2.86290385      0.72322953     -0.56430193
  H     -3.61023009      7.38360952      1.70718736
  O      0.41973842      1.39019458      4.68033496
  H     -4.30640131      1.24980656     -0.40133012
  H     -3.40737348      1.26123290      1.59147706
  O     -1.18018227     -0.28519218      2.97502111
  H      3.49039822      0.34474794      3.40622643
  H     -3.78855875      2.04707268      2.90517877
  O      1.02838974     -0.12705292      1.30045052
  H      2.27853386      0.49795198      2.46155025
  H     -3.07185746      5.55007853      3.44828274
  O      3.36685687      3.57343884      2.08347976
  H      1.55179560      5.34447117     -0.07601268
  H     -2.09304071      4.68985097      4.29566606
  O     -5.16230574      2.82098998     -0.94331476
  H      1.11091300      5.88102425      1.29286297
  H     -0.99003635      0.02155180     -1.50706505
  O     -0.14283246     -1.59036723     -0.78099605
  H     -1.87911113      2.79778134      1.80099438
  H     -0.59417250      1.44111427     -1.09130883
  O     -0.35758014      3.96777730      4.07478281
  H     -1.46636439      4.08926403      1.00108722
  H      1.85564068      6.27794687      3.74753403
  O     -3.46288660      6.44578842      1.79912529
  H      1.29051927      1.27431243      4.28227489
  H      0.93486143      5.05048540      3.56565459
  O     -3.06585748      1.64054170      2.41407505
  H     -0.14374492      0.72454297      4.26601522
  H     -5.34653763      3.89839564      2.15616841
  O     -3.01250033      4.97568695      4.22233326
  H     -1.81026194      0.44772357      2.91411743
  H     -4.76321633      5.11356654      1.41925414
  O     -1.30099367      0.93397484     -1.51916317
  H     -1.58449293     -0.98792402      2.44623952
  H      1.40929780      2.78640172     -0.34288288
  O      1.63668208      5.57351022      3.14263932
  H      0.96001483      0.69971549      0.79664414
  H      0.10637369      2.66674556      0.51872631
  O     -5.31757695      4.33372123      1.29543483
  H      0.26836130     -0.16745628      1.90174005
  H      3.58386366      4.04174137     -1.06375229
  O      0.68921485      2.19534430     -0.09723651
  H      3.19164057      2.71889575      2.49509131
  H      3.10574280      3.81794224      0.39477227
  O      2.80443048      3.96492567     -0.52128141
  H      2.83258032      4.23024383      2.54829945
  H     -1.98125306      4.90961980     -0.82731925
  O     -1.78452396      5.51452523     -0.09690242
  H     -5.24465074      3.37696104     -0.14799122
  H     -0.83552207      5.71114163     -0.07017603
          69
 Energy    -249.10439611473876     
  O     14.84132343      9.44055344    -10.56840167
  H     14.61172437     10.18170256    -11.14296960
  H     13.49125292      8.38641728     -9.93982210
  O     13.16691891     11.33936032    -15.95838232
  H     15.15062811      8.73188085    -11.15444561
  H     18.23559731      8.12258616    -15.48076356
  O     17.02694288     10.86896113    -13.44681408
  H     12.90102350     10.61645674    -15.37541566
  H     18.94179802      6.81876451    -15.88528176
  O     12.99756573      5.14619254    -12.92977808
  H     13.24840438     12.11910241    -15.39486352
  H     13.69827692     14.40027996    -14.05448780
  O     17.10400719      6.59010542     -8.65504062
  H     16.13072042     10.91611227    -13.08524725
  H     14.80981824     13.43756464    -14.54149428
  O     16.39306829     13.01782225    -15.18697721
  H     17.62499967     10.59794786    -12.74083444
  H     13.53927779      8.71813747    -14.42295175
  O     15.73660024      7.42457844    -12.27595016
  H     13.29110335      5.04951464    -13.84616329
  H     12.33221512      8.70665394    -13.45718234
  O     14.34946417     11.16564676    -12.64659878
  H     13.74230002      4.89245605    -12.37129859
  H     14.65653796     11.23396151    -16.87117862
  O     18.52863057      7.28903046    -12.43134352
  H     17.48191103      6.02012550     -9.33419514
  H     15.39193831     11.43840276    -18.21673292
  O     18.80552980      9.90690668    -11.46113992
  H     16.18170837      6.31950340     -8.56889479
  H     10.66917058      7.15464079    -12.37191344
  O     13.94398434      5.22094476    -15.55235773
  H     16.78177225     12.38777961    -14.56507991
  H     12.08204911      6.55927395    -12.57094162
  O     12.87016928      7.65853321     -9.79372695
  H     16.22364327     12.51647455    -15.99424889
  H     13.78270066      6.40127757     -9.04143395
  O     18.82567187      7.42399276    -15.15686919
  H     16.70169035      7.41954385    -12.32341550
  H     13.90872834      5.29997461     -7.96209346
  O     13.90306292     13.47919137    -14.18783081
  H     15.46418599      6.56836839    -11.92038661
  H     16.18831666      4.75051580    -11.15126553
  O     12.84666056      9.27736362    -14.04077600
  H     14.13235405     12.02436147    -13.02694455
  H     14.90863236      5.05158375    -10.32493414
  O     15.53411109     11.24525366    -17.29408993
  H     13.80167289     10.50999502    -13.10341052
  H     18.31124961      5.80305448    -11.45929566
  O     11.59674842      7.37719397    -12.35541280
  H     18.74269013      8.16785875    -12.09303753
  H     18.79985984      4.44280077    -10.91314377
  O     14.36287292      5.69662847     -8.70028260
  H     18.69510867      7.28973936    -13.38558877
  H     15.20786543      7.57331523    -13.96688711
  O     15.23353097      4.87504525    -11.21956811
  H     18.30309905      9.71570278    -10.64638198
  H     15.64479451      8.25318044    -15.29367111
  O     18.05506569      5.03876164    -10.91625197
  H     19.58975917     10.38084549    -11.19842988
  H     16.42049069      9.45180517     -9.61840881
  O     14.95338353      7.71364842    -14.89228677
  H     13.54777880      5.23032314    -16.42027811
  H     17.32657533      8.36386227     -9.00807148
  O     17.32805887      9.27419604     -9.33628260
  H     14.32587028      6.10419569    -15.42341334
  H     16.56101387      9.98067779    -16.41759855
  O     16.98726724      9.40079634    -15.77485965
  H     12.37372348      7.57110122    -10.61517388
  H     17.04753381      9.90180270    -14.94611378
          69
 Energy    -249.10436370718810     
  O     13.05982289     10.27305407    -15.66410598
  H     13.40745144      9.46546860    -16.06600110
  H     20.16087449      7.51505872    -14.56829308
  O     16.93778998      6.64387907    -13.25913797
  H     13.71056281     10.96160236    -15.84429504
  H     17.60392365     10.50753044    -17.37021523
  O     18.90079679      9.79162644    -16.29252751
  H     17.67142971      6.89712166    -12.68960974
  H     16.48713012      9.92998169    -18.25995660
  O     13.35163721      5.63591997    -15.40660209
  H     16.85858874      7.33433272    -13.93563608
  H     16.37290548      9.43192088    -14.58859257
  O     16.56019168     10.06713829     -9.87055092
  H     19.10316095     10.14938510    -15.41791142
  H     17.32850236      8.85274049    -15.64761339
  O     14.91268432      7.14418540    -11.49964516
  H     19.44644883      9.00454037    -16.41993511
  H     12.39479405      9.99201320    -14.10468016
  O     16.30632379     11.01925226    -13.72909729
  H     12.68781249      4.97884172    -15.59741329
  H     11.22847167     10.18854601    -13.10487082
  O     17.75588864      6.42665984    -17.40565782
  H     13.07799154      6.07769479    -14.58274511
  H     12.37406500      7.88838751    -13.17752918
  O     16.85707460      7.22882219     -9.45038635
  H     16.55774599      9.14568435     -9.58244479
  H     13.36040447      6.92978631    -12.48121057
  O     20.11593785      7.27506367    -16.45504046
  H     15.81687921     10.16143909    -10.47942053
  H     18.10065758     10.74435771    -13.62961938
  O     16.19387037      5.10894712    -15.51483292
  H     15.39017996      7.07550406    -10.66584845
  H     19.22692626     10.53539464    -12.61823360
  O     20.13325317      7.82514605    -13.65627420
  H     15.55426205      6.89419250    -12.18318551
  H     18.99491930      8.45862328    -11.03367248
  O     16.76888151     10.73213546    -17.80529097
  H     15.65149170     10.73863447    -13.07474642
  H     19.47148519      7.43410717    -12.06366044
  O     16.55743872      8.63908110    -15.10938180
  H     15.86254595     11.49756703    -14.44131452
  H     18.19431564     10.35106291    -10.42765632
  O     12.08828603      9.78886835    -13.20194577
  H     17.19262972      5.92044814    -16.80128377
  H     19.64547339     10.75955268    -10.07888828
  O     12.66902991      6.97076309    -13.15593135
  H     17.17647094      6.97044805    -17.94829915
  H     15.24413560      8.07934527    -18.10507291
  O     19.03551256     10.49807867    -13.56309048
  H     17.10410127      6.68156444     -8.70930102
  H     15.47462172      7.96230908    -19.62993679
  O     18.90273486      7.52923530    -11.28324386
  H     17.60497736      7.20998778    -10.07189951
  H     14.70910728      8.94814766    -11.77213709
  O     19.11677226     10.31700559    -10.73763871
  H     19.28571290      6.90478611    -16.80777877
  H     13.66775932      9.98239045    -12.24155296
  O     15.90764215      8.18290279    -18.80896715
  H     20.82598282      6.88384071    -16.95606139
  H     15.74458497     11.62543890    -16.72708320
  O     14.56165755      9.89815919    -11.88702510
  H     15.23324209      5.17796798    -15.47815641
  H     15.13955744     13.00325253    -16.37245970
  O     15.19306646     12.09818250    -16.07732908
  H     16.50982757      5.44560578    -14.66607646
  H     15.11190741      8.14038313    -16.04410374
  O     14.33357931      7.95818783    -16.59490103
  H     19.79081449      8.72817140    -13.69022366
  H     13.94224344      7.13746416    -16.27155680
          69
 Energy    -249.10406953814274     
  O     14.43478139     11.25671751    -17.05368729
  H     13.76734476     11.90243714    -17.26801905
  H     21.60715024      5.72542507    -15.13971987
  O     14.91689665      4.33054606    -15.83949424
  H     13.97366915     10.49755578    -16.65261372
  H     17.85527574      8.98526604    -16.21927114
  O     17.32859635      8.54854972    -11.11882458
  H     14.51572283      3.50173059    -16.08432416
  H     19.13038616      9.20908455    -17.04682332
  O     20.38597436      7.90426056    -17.55874717
  H     15.87302338      4.24864939    -16.01613076
  H     16.57477663      8.37117465    -14.54259472
  O     18.30136426      6.02156681    -18.30756339
  H     18.13051823      9.03700988    -10.95317381
  H     16.18278497      7.50661940    -15.78749067
  O     12.70306481      8.02959948    -10.57782006
  H     16.88599397      8.97956894    -11.87170304
  H     13.21861369      8.88787831    -15.00528089
  O     14.64061374      5.74394285    -13.41485540
  H     21.16957336      8.01838629    -18.09052853
  H     13.73273150      8.30541582    -16.33420511
  O     16.01818891      9.54946316    -13.24156358
  H     20.65517130      7.40599495    -16.76788159
  H     15.49946198      4.24623618     -9.02139749
  O     18.56483612      5.87175746    -14.18355705
  H     18.98491206      6.67698457    -18.13010264
  H     14.64927833      4.96692657    -10.09637248
  O     13.20904973      5.23538406    -11.05727374
  H     17.57307557      6.49079348    -18.73179382
  H     15.16842205      6.98741599    -17.77470006
  O     17.54983474      4.28875484    -16.29021841
  H     12.09505458      8.48640946    -10.00295433
  H     14.75763614      6.00110005    -16.63112920
  O     21.00130982      6.43698852    -15.33176147
  H     13.56755072      8.02766289    -10.12902830
  H     16.61959777      5.42980848    -11.08997105
  O     18.33669881      9.65467776    -16.72943862
  H     14.72593992      5.21646030    -14.21776862
  H     17.18029472      6.77378319    -11.61064282
  O     16.92153673      7.79564849    -15.23645636
  H     15.50547338      5.77461176    -12.98450666
  H     15.91331557      8.17172447     -9.91760566
  O     13.29508008      9.07721188    -15.94821925
  H     15.09259767      9.27133661    -13.25910590
  H     15.33341947      6.86662514     -9.34363601
  O     15.51197030      4.96834132     -9.64323151
  H     16.15731128     10.27882437    -13.86463389
  H     15.65845845     10.41952272    -18.22561810
  O     14.81401581      6.93249870    -16.87736444
  H     18.01891000      6.55545600    -14.60532088
  H     17.10551450      9.90445911    -18.07868206
  O     17.01419804      5.85430949    -11.86193978
  H     18.16693130      5.71273700    -13.31986458
  H     13.14767379      8.30888608    -12.37211726
  O     15.16235507      7.81291815     -9.42864594
  H     12.85141312      6.11206217    -10.87086271
  H     13.89563629      7.41124876    -13.38723783
  O     16.34754596      9.91984252    -18.67973943
  H     13.58788936      5.29492946    -11.94594817
  H     17.31964859     10.95474017    -15.71299948
  O     13.54420378      8.30402002    -13.25148255
  H     17.83286232      4.82154206    -17.04893042
  H     15.85653602     11.42595055    -15.82754905
  O     16.59254492     11.34022019    -15.20767409
  H     17.98619941      4.67452627    -15.52105266
  H     15.70775309      7.27205856    -20.27593261
  O     16.00129468      7.35049438    -19.37262508
  H     20.18005866      6.21925282    -14.86157211
  H     16.11766560      8.30199344    -19.19392861
          69
 Energy    -249.10405766871560     
  O     13.81166808      8.13153909     -9.22978466
  H     13.59876929      8.70810036     -9.98461375
  H     16.13670417     10.31159240    -14.86097707
  O     16.68298037     11.04615388    -10.74349958
  H     13.17632837      8.32709995     -8.54613794
  H     15.20568176      7.16481398    -12.09415263
  O     18.54809290     10.87388064    -12.94541552
  H     15.92028394     11.47130248    -11.15283554
  H     14.86898735      8.65736324    -12.17653354
  O     11.05890992     10.98077268    -14.68666907
  H     17.38369098     11.08926116    -11.40441377
  H     13.54821556      5.85684788    -11.51428104
  O     16.76995912      4.95592481    -11.62782743
  H     19.46400273     11.13431061    -12.99913236
  H     14.10583075      6.56585970    -10.24049413
  O     11.96015606      8.60991973    -13.64761458
  H     18.53625370      9.90882705    -12.82493885
  H     16.57794949      4.71793185    -13.32006025
  O     14.52889556     11.90810827    -12.43447008
  H     11.45419246     10.82032151    -15.55287450
  H     16.87874646      3.77153601    -14.50029306
  O     14.16159824     12.42536425    -16.03113721
  H     11.47290420     11.78739489    -14.35717011
  H     12.78658202      5.60899399    -13.61970256
  O     13.84418375      5.15612337    -15.17913464
  H     17.38572631      5.49292208    -11.11706496
  H     12.04201455      6.82005226    -13.02492655
  O     15.92059066      8.55704333    -15.16704459
  H     15.89022612      5.14115447    -11.26511497
  H     17.27311483      8.16008868    -12.50000395
  O     13.43795536      7.86018695    -15.96921208
  H     12.48722938      8.34438417    -14.41188526
  H     18.52531428      7.70974375    -11.73459474
  O     16.24792144     11.22246018    -14.55167549
  H     11.49720428      9.41795735    -13.91427213
  H     17.57512147      6.06573471    -14.84405291
  O     15.45308375      7.98179530    -12.54241215
  H     13.84407589     12.47390543    -12.81104195
  H     18.31414131      7.25590262    -14.20681270
  O     14.31799270      5.92474099    -10.92890997
  H     15.11123533     11.66628618    -13.16921664
  H     19.00400730      6.58972328     -9.41531520
  O     16.44667566      4.59324603    -14.27778661
  H     14.97329497     12.07416491    -15.64089700
  H     17.76544378      7.44130745     -9.78374475
  O     12.34364928      5.92453340    -12.82326599
  H     13.71270103     11.68418644    -16.45596753
  H     12.83286194      9.37001378    -16.75211400
  O     18.24212307      8.18170713    -12.52705608
  H     14.75036768      5.00000158    -14.87037169
  H     12.25387205     10.15947932    -17.94407735
  O     18.07011811      6.86615419    -15.05752920
  H     13.56465021      4.35230141    -15.61285452
  H     16.67201429      9.50958298     -9.75615070
  O     18.40200038      6.78595910    -10.12729408
  H     16.70911576      8.03084791    -15.35693395
  H     15.70422804      8.46041812     -9.16479831
  O     12.56667226     10.25547953    -17.04741670
  H     15.67188683      8.33386493    -14.25532197
  H     12.37100534     14.21272869    -14.05909028
  O     16.63698689      8.65003250     -9.31102934
  H     13.46454378      6.90570496    -15.83879470
  H     13.16789798     13.08099400    -14.75386758
  O     12.62307474     13.29715872    -13.97461032
  H     14.34266528      8.16599077    -15.79389851
  H     12.84216818      9.24298135    -12.21261450
  O     13.40779575      9.57991931    -11.50301326
  H     17.09421536     11.24379927    -14.08877556
  H     13.72609736     10.45325821    -11.76850616
          69
 Energy    -249.10402452115477     
  O     -7.56724456      3.28391988     -0.11305733
  H     -7.03187909      2.98146222      0.63905708
  H     -7.89010498     -0.31573740      3.48371219
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  H     -4.07450016     -1.00618561      3.02484287
  O     -5.98673733      2.19896558      1.85141906
  H     -3.46955684      3.22492165     -4.35792389
  H     -5.29398510     -0.34717194      3.67809665
  O     -3.69969422     -1.59398151      1.33967000
  H     -2.82773295      2.66857009     -3.07687499
  H     -0.73553806      0.26423497      1.67465359
  O     -1.33546177     -0.49945352     -1.99928328
  H     -6.43379200      1.52835670      2.38156297
  H     -1.11463073      1.17124133      2.89104714
  O     -5.11471731      0.77933830     -2.33626617
  H     -5.35488788      1.71958628      1.29275000
  H     -1.46506583      2.27999290      1.06505640
  O     -5.35877825     -2.91501463     -0.49826455
  H     -3.85657536     -0.70978881      0.96834186
  H     -2.63923554      3.26757488      1.25355507
  O     -3.87512386     -1.68709398     -2.37916484
  H     -4.24127075     -2.19918910      0.82080921
  H      0.80586477     -1.42971191      0.43747050
  O     -1.40837465      2.33086192     -2.03284411
  H     -0.44725027     -0.69467953     -2.32399153
  H      1.94597004     -0.39687844      0.47440042
  O     -1.05610778     -1.19330653      0.68594379
  H     -1.44362290      0.46014049     -2.04332648
  H      2.53706911      1.95603411      1.52494480
  O      1.40795445     -0.88179025     -2.53987091
  H     -6.06044397      0.92462862     -2.21931151
  H      1.09158832      1.41505955      1.46160035
  O     -7.08127085     -0.08822272      3.03365735
  H     -4.72839483      1.51846014     -2.82817162
  H     -8.63247161      0.98435180     -2.03964592
  O     -4.34634462     -0.48130493      3.79131755
  H     -4.81633512     -2.52911082     -1.21088689
  H     -7.77856987      1.83908142     -1.07356916
  O     -0.53532494      1.10105898      2.12200280
  H     -5.52137302     -3.82308412     -0.73739741
  H     -2.24487909      1.42262030      5.13073063
  O     -2.10612821      2.81853526      0.58146302
  H     -4.36803040     -0.86284639     -2.50329617
  H     -3.12443108      0.71210050      4.07836818
  O      1.71011111     -1.26903258      0.13382708
  H     -2.95288509     -1.41509354     -2.29663573
  H     -7.43423922     -0.36556100     -0.23794491
  O      1.93069971      1.46725069      0.97405310
  H     -1.66676998      2.62854467     -1.14861853
  H     -6.64413429     -1.65379485      0.10560600
  O     -7.80469885      1.00016491     -1.56615980
  H     -0.44048643      2.30103741     -2.04510996
  H     -3.40465452      1.55075514      0.30616841
  O     -2.42330279      1.37824616      4.19472684
  H     -1.17625146     -0.94788681     -0.24318679
  H     -4.43104088      0.86478482     -0.66030731
  O     -7.23454386     -0.98471358      0.47316528
  H     -1.91753754     -1.50204425      0.99532095
  H     -3.25460041      2.89119725      3.31472360
  O     -4.12407092      0.90867378      0.25534641
  H      1.59600894     -1.10796127     -1.61113795
  H     -4.54177293      3.21039877      2.53604919
  O     -3.65605402      3.54533236      2.72883238
  H      1.96304627     -1.43828315     -3.07866714
  H      1.55797319      1.84594075     -0.88644638
  O      1.29799288      1.90071397     -1.81420544
  H     -7.14868531     -0.45684371      2.13381170
  H      1.44399044      1.01840333     -2.17732669
          69
 Energy    -249.10390929008622     
  O     13.35089484      4.62409034    -15.98582596
  H     13.96377215      3.98435925    -16.36339268
  H     18.30970439      5.55286517    -17.80781001
  O     17.55729505      6.78483861    -11.90510319
  H     13.52673370      5.45090885    -16.45844964
  H     16.51822122      7.11960584    -14.87357158
  O     17.02249320      4.74817787    -18.79749094
  H     18.45479870      6.58574746    -12.19664399
  H     15.69237607      6.59467636    -16.08412139
  O     13.53030318      8.63850078    -10.63180377
  H     17.22064420      7.47084642    -12.50139535
  H     13.30580051      9.04583183    -15.03390821
  O     13.59722957      5.65598566    -13.44792625
  H     16.45609414      5.45719943    -19.12400029
  H     12.33285992      9.72493882    -16.01118155
  O     16.51653898      8.54197995    -13.73070447
  H     16.46135473      4.16304548    -18.27351105
  H     13.73519297      5.05853621    -10.03411325
  O     16.69092905      3.81986377    -14.66140562
  H     14.35027280      8.21644284    -10.31749185
  H     14.26434541      4.06465888     -8.97121760
  O     12.48928791      5.95110878    -10.88749615
  H     13.31014510      9.31544719     -9.99778334
  H     13.85589864      7.83225318    -16.81454897
  O     19.81672991      8.00749479    -15.31312640
  H     13.44229839      5.23075802    -14.30338950
  H     14.59677750      7.11287271    -17.99820336
  O     15.53672211      3.01203708    -17.01456753
  H     14.39391920      5.26538233    -13.06720255
  H     20.89712339      6.01977831    -12.66601763
  O     19.43076913      4.35918650    -14.94853398
  H     15.55862608      8.65179692    -13.65845479
  H     19.87186264      5.49541422    -13.69870260
  O     18.69299729      6.10468745    -17.10986735
  H     16.86829532      9.16741355    -14.37617529
  H     16.48591008      5.31232656    -12.05793826
  O     16.46484232      6.41587050    -15.53045011
  H     16.40698998      3.83392284    -13.73871053
  H     15.46893381      4.44118502    -11.27442609
  O     13.16786956      9.26499732    -15.96949229
  H     16.58331350      4.73314560    -14.97580148
  H     15.42028622      6.38213495     -9.60754728
  O     14.54275465      4.66335279     -9.65833207
  H     12.65597907      6.89155312    -10.75229246
  H     16.46716920      7.16859399    -10.42251612
  O     14.25057205      6.99814334    -17.10498750
  H     12.68252107      5.78447499    -11.82137958
  H     16.31548887      7.76223888    -19.11642960
  O     20.05817439      6.21904482    -13.07388081
  H     19.65735431      7.34790545    -16.00017388
  H     15.49501134      7.52641943    -20.40745151
  O     15.87021441      4.56933882    -12.14202735
  H     19.94512117      7.51149125    -14.49599231
  H     13.68767009      7.44516603    -13.49105781
  O     15.73202094      7.27425554     -9.80455245
  H     15.97178238      3.17067875    -16.15964669
  H     13.62897817      8.61806506    -12.47655468
  O     15.62404866      7.20617464    -19.51887157
  H     15.52494941      2.06609435    -17.14184524
  H     18.32309214     10.80898531    -15.71482113
  O     13.76782906      8.40862413    -13.40849860
  H     18.54825980      3.99593965    -14.79303021
  H     18.67483919      9.31237238    -15.53195551
  O     17.94265362      9.93430494    -15.70020420
  H     19.37037453      4.81337754    -15.79727933
  H     18.13283134      7.76006043    -17.96236545
  O     17.60732571      8.52855757    -18.21800286
  H     17.95452004      6.27084261    -16.49917932
  H     17.58494177      9.09573795    -17.43919911
          69
 Energy    -249.10368155704413     
  O     10.81431938     10.20413067    -13.02491241
  H     10.71163330      9.74222516    -13.86499374
  H     15.25434342     12.16279355    -15.78219504
  O     17.03057473     10.30094967    -10.11929678
  H     11.60635387     10.75140239    -13.11492280
  H     15.01474653      8.85208287    -14.10248647
  O     17.37642285      9.60741064    -16.64064829
  H     17.30202889      9.45782910     -9.73473105
  H     15.35224104      9.30012857    -12.65551659
  O     13.49155588      9.41822413    -15.33224828
  H     17.75391556     10.56692484    -10.69862213
  H     10.00305587      8.38171921    -10.53986783
  O     15.65214046      6.29182650     -9.89011176
  H     16.59477385     10.05106644    -16.99064510
  H     10.72620861      8.99429374    -11.76367656
  O     13.72433415      5.92204526    -13.21830404
  H     17.61452430     10.09271836    -15.83863151
  H     18.82812215      7.76755967    -10.86046651
  O     14.56927296     10.12985695    -11.27050189
  H     12.59474340      9.06454374    -15.41116843
  H     18.71238195      7.44598198    -12.36836322
  O     16.08067033      4.70987988    -12.22078980
  H     13.45386542     10.11372583    -14.65690712
  H     11.88899859      6.16880173    -13.37428846
  O     17.55662395     10.85976067    -14.14993651
  H     14.83519798      6.75594738    -10.11505622
  H     10.80098808      6.97029192    -12.62188068
  O     14.54000542      6.78076524    -15.70927681
  H     15.79859376      5.65228451    -10.59750608
  H     20.11348163     10.98257149    -11.71521032
  O     17.33356514      6.92885226    -16.33039010
  H     14.41865665      5.35249247    -12.86859306
  H     19.32806949      9.66146586    -11.89971877
  O     15.37159892     12.49056264    -14.88393605
  H     14.00919357      6.18569288    -14.10633166
  H     16.79165712      7.46287842    -13.39802043
  O     15.71912401      8.88472574    -13.44842471
  H     14.16786779      9.28763557    -11.01590434
  H     17.54356485      6.67421464    -14.48240172
  O     10.70870121      8.22830149    -11.16198970
  H     15.39031567     10.25502289    -10.77056781
  H     17.05261231      7.19126017     -9.44201307
  O     19.24051317      7.92754803    -11.71989243
  H     16.51455791      3.86830851    -12.33358624
  H     18.13953077      7.46817429     -8.37811059
  O     10.99817241      6.53541473    -13.46060622
  H     16.61543980      5.37098999    -12.69356871
  H     14.34170414     10.34379928    -16.64728168
  O     19.25532306     10.63240413    -11.93838879
  H     18.21133662     10.89895941    -13.44310458
  H     14.35164804     11.07204533    -18.00996784
  O     17.40628165      6.72328890    -13.52865488
  H     16.92987369     10.16582285    -13.89664362
  H     13.55029273      7.10600793    -11.79856473
  O     17.85295124      7.71305264     -9.25377827
  H     15.46814764      6.80227281    -15.97403522
  H     12.48555395      7.79959874    -10.91077738
  O     14.89398371     10.86374628    -17.25307614
  H     14.20103979      7.67613633    -15.81638208
  H     13.74820672     11.05621028    -12.57267143
  O     13.43065348      7.61687973    -10.98510520
  H     17.39551059      7.89174965    -16.46783492
  H     14.00097726     11.92878921    -13.84189077
  O     13.34401365     11.37691716    -13.39287506
  H     17.78689270      6.51841571    -17.06159666
  H     10.22162980      8.28001457    -15.98592147
  O     10.89760794      8.46833991    -15.34108373
  H     16.19778019     12.09251358    -14.57635094
  H     10.90764260      7.71987108    -14.71677903
          69
 Energy    -249.10352510227310     
  O     11.00486174     12.21701266     -9.57835964
  H     11.73172866     12.81922497     -9.35566574
  H     12.37300940     12.62382069    -12.38158198
  O     12.13176126      9.26649941    -16.66696293
  H     10.75360094     12.39220016    -10.48946642
  H     16.83184020      9.53550159    -11.49166249
  O     10.97316568      8.70071571    -10.38506203
  H     11.98400604      8.75270258    -17.45585201
  H     16.51920226      8.87922604    -10.11018542
  O     13.34998121      9.00823714    -14.13531276
  H     11.25584985      9.53559038    -16.33567842
  H     13.99141776      7.97642347    -12.77013570
  O     13.24207935     13.68095239     -8.85947846
  H     11.45141306      7.87145984    -10.25327906
  H     15.15976817      7.89035721    -11.70996141
  O     12.99336998     11.95293675    -16.11591482
  H     10.85211217      9.09711170     -9.51255295
  H     14.35523428     15.54853947    -11.72903465
  O     10.82642208      9.63908747    -12.95592766
  H     13.92355776      9.78810781    -14.12452681
  H     14.08541067     14.03000191    -11.60556826
  O     13.52747761      8.30629011     -7.89943393
  H     12.99832936      8.93864266    -15.03122519
  H     13.29003434      6.84611805    -10.70425488
  O     13.45857039     10.17745800    -10.79733402
  H     13.66661945     14.22970464     -9.52851474
  H     12.65739059      5.58815438    -10.05698109
  O     16.60367883     12.92277019    -10.65696183
  H     13.87403334     12.97427228     -8.66977709
  H     17.05006292     11.78654493    -11.86746650
  O     11.19111197     10.06157544     -7.97488525
  H     13.75785546     11.83788652    -15.53771445
  H     18.14013879     11.20662670    -12.80015141
  O     13.32199994     12.55382588    -12.21457112
  H     12.78254957     11.07031829    -16.44549061
  H     10.47014786     12.73160778    -13.40004073
  O     16.54932682      8.71987730    -11.06119656
  H     10.73990468      9.23653075    -12.08108472
  H     10.61916490     11.41734977    -12.61257190
  O     14.24970057      7.61877305    -11.91041519
  H     11.71235162      9.43086775    -13.28113329
  H     15.51508414     10.76110466     -8.45807605
  O     14.53660266     14.78481088    -11.18792843
  H     13.24667025      7.62947352     -8.52806145
  H     14.42386042     11.03073931     -9.49835157
  O     12.70599363      6.53737126     -9.98735945
  H     12.80920465      8.94838479     -7.85568683
  H     14.35309823     11.84843547    -13.47911709
  O     17.23495998     11.08937379    -12.52291312
  H     13.91355054      9.40416371    -11.14870406
  H     15.75245363     11.22105335    -13.67758543
  O     10.60173420     12.38132026    -12.50975010
  H     12.56588862      9.87659286    -10.59414524
  H     10.35054305     13.70185541    -15.84035845
  O     15.01259426     11.47351263     -8.86922215
  H     16.05634181     13.69397755    -10.84600851
  H     11.48153469     12.68439957    -15.56680690
  O     14.89215737     11.33275744    -14.09865821
  H     16.13721771     12.44120963     -9.95947606
  H     16.65718628      8.63381224     -7.49777513
  O     10.60048945     12.97725610    -15.27306385
  H     10.66814229     10.20343542     -7.19025858
  H     15.21891913      8.72144573     -8.05973282
  O     16.13935648      9.00635070     -8.20627715
  H     11.11450548     10.87548383     -8.50681608
  H      9.92505292     11.15775257    -15.49929529
  O      9.85454555     10.19569523    -15.51576490
  H     13.42971469     11.76707968    -11.66034191
  H     10.00774968      9.91142142    -14.60291736
          69
 Energy    -249.10339507395963     
  O     10.04679811      7.30412007    -10.72023509
  H     10.98561291      7.51878602    -10.80688736
  H     10.96526937      4.49661529     -9.22765190
  O     12.71364436      7.99416087    -10.97856687
  H      9.58026820      8.14588838    -10.76051611
  H     13.21340868      4.90367052     -6.45978080
  O     12.43031628      5.51313501    -13.75187113
  H     13.06044929      7.09204142    -10.98527275
  H     13.28947187      5.25191440     -4.95424137
  O     10.58764448     10.86692325     -8.92916728
  H     12.74636887      8.32229746    -10.06940751
  H      9.09430028      9.80237792    -14.50444303
  O      6.18060544      6.38840163    -10.87277966
  H     12.89809483      4.95393091    -14.36707251
  H     10.07712718      8.91704082    -13.70552546
  O     13.55288126      3.79431500     -7.77094289
  H     12.85836446      5.39518316    -12.88729115
  H     10.45192425      6.54013729     -7.36658497
  O     13.40708682      5.28252364    -11.17547888
  H     10.09280914     10.60922745     -9.72639575
  H     11.60763185      6.64152818     -6.33647329
  O      9.79156326      5.36601184    -12.73575579
  H     10.53623923     11.81752541     -8.87074782
  H      8.82873373      5.11361071     -8.79852373
  O      7.33214841      4.26332701     -9.51844771
  H      5.25464167      6.53733664    -11.05047048
  H      9.72951864      6.25556428     -9.34257292
  O     15.46931064      5.32353302     -9.30377129
  H      6.65436982      6.60509075    -11.69569219
  H      8.25149022      6.28310413    -13.17480203
  O     11.72062613      8.30856063    -13.58441065
  H     14.28840118      4.15536544     -8.27982099
  H      7.98795487      7.77992302    -13.37951792
  O     11.52454362      3.87136537     -9.70892291
  H     12.83741196      3.65488225     -8.40623181
  H      9.47974095      8.39467894     -7.07656338
  O     13.08871766      5.61921260     -5.81084628
  H     12.73214454      4.77368368    -10.70169961
  H      9.40978463      9.72593692     -7.83197995
  O      9.16586363      9.26025369    -13.72303179
  H     14.20770138      5.25627446    -10.63590391
  H     11.93664694      8.28118204     -7.82954570
  O     10.93642353      7.15832408     -6.79764563
  H     10.63807569      5.35837157    -13.19669002
  H     11.94219592      9.65868027     -8.53306034
  O      9.63937118      5.60599148     -8.62681101
  H      9.86336868      6.03688080    -12.03946912
  H      7.56877224      8.78986692     -8.78226246
  O      7.55383977      6.95297281    -13.14059556
  H      6.64586273      3.80808974     -9.03620062
  H      6.79024152      7.97097270     -9.86323546
  O      8.86116614      9.01585881     -7.47845034
  H      6.90055062      4.98463580    -10.00441648
  H      8.62765130      3.29239665    -10.66997781
  O     12.48131310      8.87510800     -8.36744326
  H     15.22915857      6.06492755     -8.71853255
  H      9.47865867      3.76554906    -11.85251637
  O      7.05969918      8.85731382     -9.60498178
  H     16.42122645      5.27359281     -9.30749623
  H      8.23009900      9.68169988    -10.60496397
  O      9.37437876      3.03712863    -11.22323480
  H     12.12961900      8.41895541    -12.71498725
  H      9.01848980      9.84569789    -11.96226401
  O      9.06634464      9.97106502    -11.00777485
  H     11.95937022      7.41331576    -13.84985857
  H     14.03638699      7.94998543     -7.85085992
  O     14.64523230      7.24935148     -7.58411350
  H     10.90752842      3.37828081    -10.26662893
  H     14.20019857      6.77518594     -6.87028254
          69
 Energy    -249.10298687945487     
  O     15.66973099     11.55379481    -11.46412351
  H     16.42008012     11.07849559    -11.09070826
  H     19.05119792      8.61578973    -13.41495954
  O     16.09297945      5.14810596    -11.44974728
  H     15.82181390     11.57523575    -12.42037240
  H     16.05090981      9.41932349    -13.69904640
  O     13.94946938     10.89664875    -15.94659475
  H     15.40478098      4.69596291    -10.94040998
  H     15.87075681      8.23827298    -12.69984545
  O     12.15847528      6.14377800     -9.33145607
  H     16.10236459      6.07471027    -11.16909905
  H     12.61820893     11.84288450    -10.75975400
  O     12.64967714      7.33407440    -13.05442899
  H     13.39230410     11.44806331    -16.48821667
  H     13.99307250     11.28707489    -11.20631771
  O     15.95421760      7.83234971    -10.90008203
  H     13.40458831     10.59668817    -15.19413841
  H     13.18742942      4.05884537    -13.18717085
  O     18.04161556      8.85682029    -16.60135583
  H     11.80474621      6.32732904     -8.46464429
  H     12.43563953      2.71303980    -13.29697912
  O     10.86063898      5.61167173    -11.86564980
  H     12.54672017      6.97277501     -9.65594578
  H     12.57294721      9.07949267    -13.63841667
  O     18.27447562      7.11100468    -14.41567515
  H     11.89674698      6.81000616    -12.74268399
  H     12.68614351     10.44456182    -12.92391050
  O     15.24736026      8.39725141    -16.31484562
  H     13.31128629      6.70629749    -13.37102338
  H     18.85430812      4.04544566    -12.71762205
  O     16.02643766      5.73392864    -15.88539483
  H     16.57790599      8.53412912    -10.67676343
  H     17.64823270      4.89713849    -12.28282070
  O     19.16485908      9.47780172    -12.99746201
  H     15.06387006      8.09718291    -10.63214548
  H     15.04182509      5.20944816    -12.96055151
  O     15.97357462      8.45807431    -13.63258137
  H     17.08605562      8.75101974    -16.69735133
  H     14.93985702      5.33663857    -14.51098402
  O     13.04560533     11.07293811    -11.12434542
  H     18.31114411      8.17229850    -15.97350523
  H     13.31247873      4.71306317     -9.85894247
  O     12.53947815      3.48350107    -12.74486821
  H     11.13849278      5.72590673    -10.94860842
  H     13.38033531      3.70718341    -11.02236433
  O     12.60433670     10.03414440    -13.79152747
  H     11.28357827      4.79653680    -12.16748764
  H     18.48536298     10.34976562    -15.85087440
  O     18.45772240      4.90651123    -12.81928303
  H     18.42978674      6.33011856    -13.86420338
  H     19.25801508     11.69156676    -15.79030208
  O     14.42102400      5.24019926    -13.70107137
  H     17.45615549      7.53492823    -14.11106058
  H     13.06907688      7.99604322    -11.44444891
  O     13.87823968      4.04675484    -10.26811613
  H     15.39975296      8.31125394    -15.36001860
  H     13.11249381      9.31205202    -10.62363842
  O     18.66598456     11.13130275    -15.29663493
  H     14.72672097      9.20195533    -16.41143034
  H     18.49237458     10.04378596     -9.96628787
  O     13.25518890      8.35919457    -10.56354617
  H     16.89811371      5.96337842    -15.54846783
  H     18.33955002      9.75181100    -11.47578577
  O     17.84433365      9.88928926    -10.64871891
  H     15.67889813      6.54872201    -16.27417435
  H     15.42603098     11.23162164    -14.84986684
  O     16.11093494     11.23435353    -14.16882811
  H     19.10255255     10.12206124    -13.71281423
  H     16.97078482     11.31611198    -14.60090739
          69
 Energy    -249.10285324191148     
  O     11.71635345      9.32593869    -16.93109166
  H     10.94537164      8.85861158    -17.24469297
  H     19.23900142      9.34567854    -15.55476588
  O     16.59061629      9.11133645    -10.62260084
  H     11.42903568      9.84506786    -16.16155605
  H     16.26556626     12.28059254    -10.97502385
  O     15.36602664     12.01016227    -14.64347027
  H     16.86317849      8.75633590    -11.47923302
  H     17.62839452     12.46755563    -10.26731765
  O     13.54424555     10.16250088    -13.69328953
  H     16.81205409     10.04988750    -10.63255569
  H     16.26757638     10.85088877    -17.58522251
  O     13.33568639     13.60270730    -13.60267508
  H     15.39208527     11.72736001    -15.56767724
  H     15.09335398     10.02519277    -16.98701436
  O     14.22049904      8.21455249     -9.73272740
  H     16.21632178     11.77367030    -14.25000645
  H     10.91425544     11.30297652    -13.94028844
  O     11.80791625     13.53366666    -16.03840315
  H     12.71383058     10.45351173    -14.08825842
  H     11.27922036     11.89009956    -15.31115853
  O     17.08794070      7.76838511    -17.44625018
  H     14.22144494     10.79330436    -13.97384658
  H     14.05881541     12.03983144    -10.95329895
  O     13.03443967     10.49139207    -10.96933577
  H     14.10945215     13.13169974    -13.94852821
  H     14.20518901     13.26230262    -11.88053367
  O     18.79238554      7.47617137    -15.34861020
  H     12.79761666     13.78030963    -14.38305160
  H     13.76429426      6.97849716    -11.03064151
  O     17.12714604      8.35185499    -13.27624346
  H     14.27536724      8.07417295     -8.79126244
  H     12.86205934      5.82161283    -11.48699303
  O     19.21830401     10.29301684    -15.73962513
  H     15.10023161      8.52234188    -10.02113892
  H     12.40903874     10.97883353    -17.74642323
  O     17.16231272     11.91043332    -10.88469096
  H     12.23050945     13.02516356    -16.75339004
  H     13.79625695     11.63254654    -17.74169536
  O     15.39409712     10.92464415    -17.18211483
  H     11.25404713     14.18741764    -16.45727365
  H     17.64776849     11.42874201    -12.60575730
  O     11.11002130     11.05369495    -14.85661101
  H     17.36549164      8.60560721    -17.83893922
  H     17.47522468     10.12201378    -13.42457408
  O     14.62585120     12.79927518    -11.14769937
  H     16.13720313      7.84238696    -17.29491553
  H     14.47056931      7.99968820    -15.78952166
  O     13.57200414      6.38990212    -11.77586962
  H     13.24484627     10.31324755    -11.89908886
  H     13.47725376      8.57434334    -16.82955292
  O     12.85561400     11.82559398    -17.86016209
  H     13.33608897      9.72547025    -10.47037778
  H     11.86054916     12.70071934    -12.67912730
  O     17.69549055     11.06326390    -13.49797050
  H     19.35968435      6.72130472    -15.47914803
  H     11.60689795     11.55542602    -11.68889880
  O     14.40470615      8.34801621    -16.69116801
  H     18.17166677      7.49577966    -16.09917705
  H     18.45982555     10.44886954    -17.29435730
  O     11.17062464     12.10885616    -12.34906583
  H     16.24296580      8.06842314    -13.54862933
  H     18.53685106     10.76803261    -18.80822669
  O     17.96246090     10.42036474    -18.13202000
  H     17.75103155      7.96087637    -13.89998099
  H     14.15029234      8.54478938    -13.88013761
  O     14.54636046      7.66831497    -14.01502102
  H     18.79917911     10.70443302    -14.97215086
  H     14.20201847      7.10044370    -13.31291725
          69
 Energy    -249.10266757319334     
  O     11.41973918      8.18398382     -9.53576425
  H     11.84439312      8.54028287     -8.74536540
  H     10.56633666     10.37713445    -11.90896270
  O     13.80340973     10.15555488    -17.35961042
  H     11.03302892      8.94484071     -9.98989492
  H     11.59845870     13.31248575    -13.45136745
  O     12.76590694      6.84997617    -11.44800809
  H     13.08109615     10.78674265    -17.18817605
  H     12.77147483     12.44141771    -13.93298162
  O     14.84345724      9.72930914    -14.79069545
  H     14.14445899     10.35697019    -18.22666288
  H     17.55865084      8.90032465    -13.16795784
  O     12.18676007     12.09641823     -7.85228641
  H     12.62969961      5.91014999    -11.36415874
  H     16.12296387      9.01155076    -13.70803460
  O     11.68532756     11.75179889    -16.78141173
  H     12.25001096      7.27573384    -10.73881382
  H     11.15588875     13.89524085    -11.13957441
  O     12.63076576      8.39973278    -13.80241122
  H     14.09584273      9.24264999    -14.40866076
  H     12.50701541     14.39276070    -11.70740358
  O     15.38274568      9.31007790     -8.16268294
  H     14.62544532      9.88207687    -15.71788374
  H     15.65159096      8.44470686    -11.51568530
  O     13.55270961     10.77066833    -10.92902398
  H     12.99428374     12.46597900     -8.23784021
  H     14.34065586      7.76287251    -11.01052727
  O     12.64512226      9.47497281     -7.32467780
  H     11.46454918     12.43081704     -8.39574438
  H     10.97522636     11.14429891    -13.85267551
  O     14.49798168     14.30037352    -11.71221163
  H     10.91998461     11.16723952    -16.72270090
  H     10.10705322     10.05668954    -14.53768727
  O     10.81418799     10.49866093    -10.98318173
  H     11.72165835     12.22757137    -15.94036333
  H     15.29137380     12.55376455     -8.95576614
  O     11.85763399     12.68196118    -14.13824970
  H     11.91037475      9.03530924    -13.68934315
  H     14.56624481     13.45972849    -10.01861859
  O     16.65825332      8.63912733    -12.99052238
  H     12.65186583      7.83347474    -13.02220500
  H     14.69054028     11.29855646    -13.83881815
  O     11.57406794     14.27724181    -11.92051937
  H     14.47509021      9.32994760     -7.83674698
  H     14.09215293     11.53408967    -12.43215589
  O     15.01932457      8.40980292    -10.78372175
  H     15.34634225      8.89022320     -9.03285409
  H     10.46172272      9.03636251    -16.46940633
  O     10.55361962     10.28221610    -13.71329507
  H     13.85048749     11.41181691    -10.26953133
  H      8.98252815      9.33789917    -16.81459010
  O     14.42886393     12.84986949     -9.28523309
  H     14.07187305      9.96229546    -10.82458697
  H     17.39856148     11.73231698     -7.67060595
  O     14.39891127     11.98989425    -13.23258282
  H     12.42702677      9.31218817     -6.41028775
  H     16.29073440     10.81432011     -8.21754710
  O      9.73561656      9.67189740    -16.33550965
  H     12.45446889     10.41551103     -7.49043097
  H     10.34274785     12.01085736    -10.20721506
  O     16.69657627     11.69415115     -8.31391962
  H     14.57125910     13.55227346    -12.32786415
  H      9.29869231     13.00570266     -9.64738185
  O     10.23458589     12.88116178     -9.78547549
  H     15.00284353     15.01617548    -12.09059352
  H     12.21055842      8.00769336    -15.60184592
  O     11.95412808      8.10540982    -16.52922841
  H     11.78042102     10.59625886    -10.95870857
  H     12.63300770      8.66359354    -16.92809022
          69
 Energy    -249.10189865290465     
  O     10.22785982      5.82736345    -12.69979340
  H     10.55687750      6.67511007    -13.02141065
  H     16.38001193      5.55377985    -12.93478343
  O     13.34412419      5.73682085     -7.91699900
  H     10.71075061      5.15843826    -13.19882275
  H     13.61501249      5.12648217    -11.53242905
  O     16.79809698      8.58521903    -13.59416601
  H     14.24268542      5.86420636     -8.24828690
  H     14.58176885      6.10089758    -12.25067489
  O     16.78646243      8.83757836     -9.76134960
  H     13.03366588      4.89836003     -8.27913272
  H     10.63539054      6.24370298     -9.56298916
  O     11.98740582     10.31800577    -15.13816593
  H     16.19647907      8.98354576    -12.94965814
  H     10.26973273      5.57016012    -10.91555417
  O     11.55089590      7.67199310     -8.59202401
  H     16.68476456      9.06827780    -14.42192690
  H     15.33694479      9.46114198    -16.18534089
  O     13.39674115      6.29441268    -14.89968206
  H     17.02674879      9.52813522     -9.14816439
  H     16.53779527     10.29562308    -16.69468899
  O     15.92008961      2.65183993    -11.64635590
  H     16.19532796      9.24380741    -10.41695007
  H     12.27756840      8.30384827    -10.17199358
  O     14.42093392     11.23468921    -13.92062011
  H     11.77867714      9.56898292    -14.55287858
  H     13.12868929      7.50047418    -11.18211469
  O     17.31869563      5.02794314    -11.34248244
  H     11.15667380     10.71905532    -15.37924222
  H     18.14939880      7.89362726    -12.43743165
  O     15.70474863      6.24200781     -9.36435206
  H     12.20644242      7.01989610     -8.28450836
  H     18.12280373      7.94514045    -10.91382031
  O     15.81793041      6.02818854    -13.55926370
  H     11.17166158      8.06934402     -7.81291361
  H     14.82731145     10.39206546    -12.39510813
  O     13.97003999      6.02265406    -11.50622497
  H     12.90041550      5.48213301    -14.73932196
  H     14.22720643      9.33514948    -11.42530242
  O     10.39915380      5.40365717     -9.97031853
  H     14.28510560      6.14308573    -14.54739083
  H     13.67828836      7.75477910    -16.08362318
  O     16.10638339      9.98788989    -15.90262752
  H     16.50881873      3.41608487    -11.54729063
  H     13.15489993      9.20562176    -16.17256931
  O     12.74041025      8.37553099    -11.01480496
  H     16.48888287      1.88626722    -11.67271174
  H     11.41059092      4.12525019     -9.47206084
  O     18.53916696      7.48550573    -11.65287794
  H     13.55199610     11.03992658    -14.29322323
  H     11.62768913      2.82410572     -8.65792195
  O     15.05402993      9.75285863    -11.70283513
  H     15.05282804     10.98445179    -14.60564691
  H     12.01162925      8.29368888    -12.66143484
  O     13.84713008      8.61305135    -16.49263530
  H     16.81770520      5.29606486    -10.55954773
  H     12.32818973      7.50605163    -13.97548185
  O     12.07860628      3.46740456     -9.19815639
  H     17.92661898      5.76367119    -11.50590884
  H     12.42962419      3.68022540    -13.24900815
  O     11.70560357      8.12280574    -13.56380076
  H     15.05634032      6.19497297    -10.08472573
  H     11.71022909      3.20223839    -14.53103606
  O     11.98418387      3.98420313    -14.05802466
  H     16.07783045      7.13261902     -9.38762202
  H     14.17135796      3.02411903    -11.68505555
  O     13.25432728      3.33608728    -11.71491387
  H     16.19661981      6.91551601    -13.65273070
  H     12.86932682      3.24735630    -10.83287277
          69
 Energy    -249.10188334604135     
  O     -6.17563795      3.66218970     -1.45822897
  H     -5.44951603      4.10661304     -0.98481212
  H     -4.74037415     -1.35517021      3.98940536
  O     -5.99744238      1.96818912      0.76463878
  H     -6.72045930      4.35158253     -1.82833715
  H     -1.10603443      2.54077707      1.27495893
  O     -2.78155869     -1.48932204      1.08806122
  H     -5.17476633      1.54959779      0.46052860
  H     -1.47456919      1.91451027      2.64204319
  O      0.00819012     -0.59287136     -1.59911904
  H     -6.28744973      2.52935944      0.03587641
  H     -1.42003987      2.88060094     -0.94902131
  O     -2.95673470      0.84811417     -2.91962993
  H     -1.84903564     -1.28293091      1.23951061
  H     -2.59453987      2.36016571     -0.08981899
  O     -3.86150342     -2.53933853     -1.24623715
  H     -3.26163114     -1.36446831      1.91658862
  H      3.25418315     -0.54392577      2.18586527
  O     -2.04828615     -1.81776930     -3.07124031
  H     -0.15212482     -0.64939134     -0.64694827
  H      2.46377369      0.63735857      1.57153347
  O     -0.44155838      2.06419214     -2.26193977
  H     -0.64493966     -1.13427530     -2.05712111
  H      1.99630414      2.62251277      0.55898085
  O     -0.18981117     -0.54750701      1.19529674
  H     -2.16871531      1.40313741     -2.87665229
  H      1.06611847      2.34375667      1.76709045
  O      2.70674919      0.10832493     -1.31638182
  H     -2.65583971     -0.05333228     -3.09695611
  H     -4.81518416      1.07167189     -2.95963039
  O     -6.48390235     -0.66898043      1.41323010
  H     -4.74384796     -2.15185925     -1.29619937
  H     -5.90417106      1.97917045     -2.35255426
  O     -4.46676366     -0.85510889      3.22473261
  H     -3.50288594     -2.30379269     -0.37885361
  H     -3.66339441      2.37217802      3.27073052
  O     -0.74282776      2.04474220      2.02131364
  H     -2.71045456     -2.15423500     -2.43957609
  H     -3.54544359      0.83864461      3.42800362
  O     -1.99075383      3.11093776     -0.20479267
  H     -1.97931443     -2.45833986     -3.77333305
  H     -7.12369261     -1.62871807     -1.86502708
  O      2.61267622     -0.32506670      1.51589474
  H      0.41293725      2.48286397     -2.10046088
  H     -6.18717709     -0.40360226     -1.83898221
  O      1.98738562      2.31241418      1.47191806
  H     -0.30524643      1.12958730     -2.04188990
  H     -3.49265400      0.78985491     -1.10671550
  O     -5.74343689      1.09029483     -2.69025195
  H      0.75161175     -0.66302775      1.37096324
  H     -3.32838539      0.07014244      0.26750655
  O     -3.04121960      1.65940932      3.46126178
  H     -0.40871383      0.35333778      1.47877434
  H     -3.34860982      4.33995634     -0.08011323
  O     -6.38389972     -1.24786487     -1.39766670
  H      2.83378889     -0.14579970     -0.39382045
  H     -4.39709441      4.58329754      1.01294931
  O     -3.62118207      0.88701786     -0.15419625
  H      1.84386911     -0.25354341     -1.56273912
  H     -5.41137078      3.03514309      2.06032361
  O     -4.20659905      4.75683501      0.08399948
  H     -6.51621324      0.29111067      1.29422732
  H     -5.62590089      3.99352839      3.25531810
  O     -4.95871259      3.64367801      2.66932137
  H     -6.47475723     -1.01845830      0.51439563
  H      2.43891594      1.84982442     -1.42382908
  O      2.15632933      2.78201100     -1.39870524
  H     -5.22700358     -0.83464450      2.61632570
  H      2.86839162      3.29414320     -1.77354802
          69
 Energy    -249.10161968221803     
  O     17.24150641      9.27960279    -12.96999802
  H     18.02163015      8.99890649    -12.47148884
  H     11.55766316      9.23859308    -10.57833357
  O     12.62560092      6.44074129     -9.28010623
  H     16.47244180      9.11979541    -12.39948370
  H     19.68589408      5.45901961    -11.21890558
  O     17.28881690     11.99949443    -12.52491877
  H     12.05461329      6.30297092    -10.04720426
  H     18.59761824      5.66234480    -10.14117638
  O     11.06131698      6.29162457    -11.66554277
  H     12.47445483      7.35410936     -9.00716090
  H     14.32069002      6.25684249     -9.84185262
  O     16.34256175      7.21743846    -14.58290563
  H     17.62767753     12.51384622    -13.25364921
  H     15.09133163      7.22764874    -10.76354577
  O     19.30195187      8.51545541    -11.30791375
  H     17.27246609     11.07329697    -12.81885713
  H     20.02465699      6.20062726    -13.28227646
  O     18.68417692     11.01636679    -10.20252958
  H     10.30601725      5.74487422    -11.86416600
  H     21.52694706      6.26874926    -12.91318185
  O     17.66006368      7.21306661     -9.46103941
  H     11.69854877      6.16148655    -12.39030207
  H     14.12769726     11.54307413    -12.06806053
  O     12.87967322      6.03260215    -13.64817755
  H     16.72129371      7.95969092    -14.08922291
  H     15.52167602     12.15019634    -11.80374958
  O     13.85105859      8.25863109    -15.21263609
  H     16.03528770      6.56284064    -13.93663331
  H     18.01019608      6.19283106    -14.62655609
  O     13.27724879     10.12960035    -13.11342213
  H     19.88383293      7.88101106    -11.74347723
  H     18.40293516      4.87697101    -13.92410219
  O     11.32475119      9.11643515    -11.50669137
  H     18.75449902      8.01972952    -10.68055512
  H     14.37068341      9.17789302    -12.05941266
  O     19.01194645      4.99744547    -10.70412932
  H     18.25347066     11.49584066    -10.91953349
  H     14.94933602      9.34594653    -10.63737368
  O     15.16370527      6.37662427    -10.30099837
  H     19.08191254     10.23114649    -10.60528011
  H     15.52344250     10.32583827     -8.81114163
  O     20.65202880      6.44277564    -12.57751459
  H     17.49825754      8.00111689     -8.92980962
  H     14.67601782     11.14116349     -9.87290373
  O     14.64396760     12.03930089    -11.41884068
  H     16.78998937      6.85079558     -9.68729812
  H     16.12873119      4.58870073    -12.78717909
  O     18.76686076      5.65471784    -14.36719838
  H     13.72584405      5.64016368    -13.39424731
  H     15.34104117      5.56989514    -11.88208894
  O     15.02513503      8.82037458    -11.44417715
  H     13.09129142      6.78271388    -14.21442782
  H     17.76773124     10.31089639     -8.91116860
  O     14.64798743     10.44188903     -9.19911856
  H     14.75367182      7.91991447    -15.09344432
  H     17.58324153     10.04250061     -7.39867810
  O     15.44217420      5.26566338    -12.79630870
  H     13.70270043      8.30938641    -16.15420475
  H     13.07796739      9.69586049     -8.86209903
  O     17.23512061      9.82070512     -8.25895581
  H     12.49150911      9.81902123    -12.63233256
  H     11.75623502      9.67682374     -8.06489703
  O     12.21967332      9.24785618     -8.78012388
  H     13.37424965      9.59109085    -13.90695806
  H     18.13700993      4.05281767    -11.89432930
  O     17.70321483      3.62549155    -12.65478950
  H     11.14186148      8.17339885    -11.60320539
  H     17.83934090      2.68687702    -12.55964805
          69
 Energy    -249.10159255103935     
  O     14.22983389      5.35396696     -9.49243755
  H     15.09013499      5.20233124     -9.90569752
  H     16.74240163      9.63485678    -12.99309334
  O     15.37858993      7.85626760    -16.85888887
  H     13.57140064      4.90858358    -10.03900552
  H     14.90081652      8.31132531    -12.56070132
  O     18.01865230      9.27668207    -14.17908309
  H     14.56893905      7.89263704    -16.32206834
  H     13.52695594      7.81585565    -12.03453179
  O     11.23179991      6.13548455    -14.70622752
  H     15.11490336      7.59331812    -17.73732811
  H     12.58521254      4.02610878    -12.05269764
  O     19.47736721      5.11036947    -11.17013190
  H     18.89110149      9.21667542    -13.77200412
  H     11.87512752      3.27332941    -10.90418731
  O     13.08596746      4.09742917    -13.73109455
  H     17.77210654      8.38187039    -14.45618762
  H     20.08668129      8.52292622    -11.96413127
  O     16.62190718      8.22527925    -10.17468885
  H     10.40286456      5.86373829    -15.09117034
  H     21.25065607      9.19125865    -12.73668058
  O     12.51497454     11.02729093    -11.96053909
  H     11.05915849      6.29380938    -13.75980703
  H     16.03244855      5.19037715    -12.45729544
  O     19.67557477      6.10160771    -13.69172200
  H     19.55417878      5.38207501    -12.10259842
  H     15.00553501      6.13446016    -13.08404762
  O     13.99140195     10.64970199    -14.28977169
  H     20.11999411      4.42074429    -11.02924301
  H     16.94409604     10.24901884    -15.40960946
  O     13.20847443      8.04060638    -15.17333010
  H     12.55228607      4.75006746    -14.19874053
  H     15.94900744      9.68329526    -16.42460585
  O     15.97878089      9.74997024    -12.40763844
  H     13.99237940      4.43453008    -13.70612007
  H     16.67178695      7.03093286    -15.74629660
  O     14.22144044      7.63433763    -12.67956610
  H     16.43230056      8.85549891    -10.88388940
  H     16.66527610      6.18761359    -14.44652532
  O     12.27817616      4.10721901    -11.13252478
  H     15.84425004      8.21659472     -9.60354495
  H     19.49625053      6.94021775    -10.54866725
  O     20.41385543      8.75030623    -12.85328109
  H     12.24019160     11.93207820    -11.83290804
  H     18.50169412      8.08373749    -10.24753395
  O     15.55327459      5.35662337    -13.27934559
  H     12.98125165     11.00870679    -12.81028445
  H     11.25836283      7.20635395    -11.55645284
  O     16.18387887     10.49253642    -15.95452953
  H     20.03479548      6.98462210    -13.53808737
  H     11.28310012      5.66374833    -11.61524546
  O     17.22743509      6.73288011    -15.01593382
  H     18.90368552      6.21961368    -14.25929704
  H     17.66934992      5.20807866    -10.82976859
  O     19.42196952      7.90004160    -10.47668802
  H     13.54496515      9.86460420    -14.63209266
  H     16.70747775      6.40530440    -10.62057192
  O     10.90084071      6.44541948    -12.03316004
  H     14.73819242     10.79446981    -14.88996065
  H     14.05949251      8.00966653     -7.80111466
  O     16.73685664      5.44937959    -10.77127187
  H     12.43993070      7.45752750    -15.19037035
  H     14.14969833      6.98209738     -8.95718387
  O     14.17650302      7.93436432     -8.74442838
  H     13.60737137      7.89608894    -14.30049705
  H     12.36551267      9.42362848    -11.13965139
  O     12.34854129      8.50678062    -10.82745971
  H     15.30795576     10.21731980    -12.91904872
  H     12.91188890      8.43815842    -10.04690963
          69
 Energy    -249.10156505015453     
  O     16.87196282      9.72120582    -11.06176708
  H     17.42556487      9.93187283    -10.30049846
  H     13.85824012      7.97386135     -4.90815432
  O     14.94434200      4.13476267     -8.12855354
  H     17.44934252      9.26082991    -11.68857556
  H     16.78418061      4.55883179    -15.21842073
  O     12.82405261      5.98432282     -7.65403927
  H     15.10697009      4.50140718     -9.01353951
  H     15.80936803      5.56160827    -14.55616790
  O     14.32443883      9.35345801    -12.16413610
  H     15.00034087      3.18593595     -8.21020401
  H     14.56114446      5.71346548    -11.07104161
  O     18.63722066      8.24793728    -12.57668933
  H     13.46101085      5.27251658     -7.78752278
  H     15.48749509      6.29562874    -10.00213090
  O     20.64622637      8.59928910    -10.61967591
  H     13.18297315      6.52753740     -6.94145517
  H     17.87549897      8.27035873    -14.26529690
  O     17.67316683      5.69031287    -11.97112162
  H     14.41383872      9.35751261    -13.12582118
  H     17.21653815      7.11192408    -15.02687303
  O     11.53121687      7.12968216     -9.73624203
  H     15.18823929      9.60226994    -11.80827325
  H     14.60926609      9.61472781    -15.68736890
  O     16.65604610     11.24377016     -7.73966757
  H     19.42235192      8.42547065    -12.04515333
  H     15.71791415      8.78461432    -14.99709551
  O     12.78843920      9.71365231     -9.77156634
  H     18.32607783      7.36141414    -12.33759626
  H     16.13102235      8.45841295     -9.99904412
  O     14.44815853      9.57302018     -7.60848669
  H     21.59903948      8.61094315    -10.64386528
  H     15.26317318      8.36269359     -8.71534098
  O     14.13882923      7.61809487     -5.74737918
  H     20.38094388      7.69900306    -10.35197188
  H     19.45366312      9.50966362     -9.41318409
  O     16.74243917      5.28425366    -14.60110323
  H     17.44507619      5.44659301    -12.87772793
  H     18.53749817      8.87405133     -8.35471998
  O     15.30143293      5.47970979    -10.49670586
  H     16.86985359      5.55692753    -11.44999948
  H     15.63112171      6.40783097     -5.93905679
  O     17.31135851      8.07238598    -15.02502415
  H     10.59728298      6.97547240     -9.62136068
  H     15.91576496      5.15397776     -6.78020455
  O     14.78617757      9.06142790    -14.93132847
  H     11.97923610      6.70851850     -8.98097207
  H     12.58281570      6.79904218    -11.22676986
  O     15.80455733      7.84751711     -9.32578052
  H     16.84797484     12.17718374     -7.79374113
  H     13.66545771      7.62842295    -11.95602103
  O     18.70752423      9.70008699     -8.83242959
  H     17.45980436     10.78867858     -8.03257630
  H     19.11045199      6.38892727     -9.15014280
  O     16.33005370      5.78818534     -6.18251667
  H     13.23523368      9.72610126    -10.62720893
  H     19.03024999      5.84367023    -10.60102436
  O     13.27138378      6.74516944    -11.90096184
  H     12.27719553      8.89487853     -9.75276212
  H     17.64060060      6.66223146     -7.13298347
  O     19.63839494      6.18944112     -9.93661727
  H     15.15846838     10.22950645     -7.62795608
  H     17.25461323      7.38622739     -8.41842301
  O     18.01958603      7.16535032     -7.86554411
  H     13.81882501      9.76056224     -8.32206535
  H     13.77130409      6.29755797    -13.62393970
  O     14.22009135      6.27775012    -14.48003414
  H     14.24483192      8.37441406     -6.35029662
  H     14.28754706      7.20083823    -14.75355845
          69
 Energy    -249.10129814546826     
  O     15.86954524      6.52656196    -13.45498519
  H     16.60537544      6.74626748    -12.86617235
  H     20.97929636      7.80895640    -13.51000591
  O     17.24658491     10.01928333    -10.82571389
  H     15.05299677      6.59288023    -12.94128110
  H     15.15965048     11.10589183    -16.59777244
  O     17.72370883     11.04062754    -14.89355582
  H     16.49472964     10.42173867    -11.28224094
  H     16.23817046     11.81626992    -15.75696867
  O     13.19120376      7.14688883    -16.81913663
  H     16.96772758      9.82983807     -9.92143462
  H     15.39723838      9.18547193    -15.23799971
  O     13.71023812      8.52117377     -8.71665029
  H     18.30089575     11.14836060    -14.12393919
  H     15.81620270      8.22527016    -14.08564323
  O     13.50690218      6.92295343    -12.01868382
  H     17.09756989     10.34090636    -14.65443196
  H     12.31261515     11.16565092    -13.83238493
  O     15.08247376     10.87222128    -12.33618712
  H     12.49692771      6.76083936    -17.34597342
  H     10.80416753     10.84420059    -13.81783796
  O     17.23855182      7.61221658    -17.62498796
  H     12.80464302      7.34506697    -15.94701067
  H     16.71824021      7.39350008     -8.95024133
  O     14.12945221      5.79384382     -9.54136521
  H     13.31645517      8.94433264     -9.49106292
  H     17.22361245      6.71802224    -10.23850478
  O     19.13523689      8.80518679    -15.87030657
  H     13.71294276      7.57364589     -8.90104775
  H     12.03585429      8.68346204    -14.16074333
  O     15.70980529      5.92327506    -16.17402368
  H     13.34419378      7.83106758    -11.72771240
  H     12.59138668      7.35029091    -13.60414540
  O     20.07932254      8.11274780    -13.42815392
  H     13.63456235      6.40515529    -11.21364700
  H     18.68229069     10.63884933    -11.89499565
  O     15.33859660     11.91442844    -16.09993586
  H     14.66508297     11.60631024    -12.79815964
  H     19.69465341      9.94956643    -12.82463178
  O     15.72542781      9.15353113    -14.33115372
  H     15.29522978     10.22157829    -13.02648125
  H     18.68735236      7.58171639    -12.34476777
  O     11.66190328     10.48403226    -13.60285183
  H     17.51403947      7.19786718    -18.43851475
  H     17.64620013      8.36276869    -11.50652915
  O     16.72754850      6.55369019     -9.42574446
  H     16.76335934      6.93500680    -17.10966863
  H     15.36178563      9.00526105     -8.40195515
  O     12.21702199      7.76524458    -14.39175198
  H     15.08493260      5.98366823     -9.50904797
  H     16.45530034      9.49292552     -7.42126998
  O     19.29472452     10.80417367    -12.62391898
  H     13.99840094      4.96055447     -9.09774056
  H     12.28800389      9.83913681    -11.86933658
  O     17.88565073      7.47731296    -11.81667826
  H     18.74332029      9.67050402    -15.69112003
  H     13.75511992     10.02097041    -11.47955028
  O     16.31619820      9.17443356     -8.30909393
  H     18.53857054      8.36450004    -16.48570370
  H     13.45779878     13.42503259    -14.12370341
  O     12.94397648      9.55657633    -11.22313284
  H     14.81102453      6.20742966    -16.38098496
  H     14.18299061     12.28894011    -14.87818703
  O     13.57146452     12.47837998    -14.14307100
  H     15.80406141      5.99536885    -15.21383866
  H     14.31075816      8.61452498    -17.08323045
  O     15.01877059      9.27162830    -17.05962414
  H     19.76316227      8.29411103    -14.33147138
  H     15.81789633      8.82021705    -17.36417820
          69
 Ord_Energy   -249.101196    
 O   -8.62904453       2.08864737       8.85407066    
 H   -7.66858053       1.95253038       8.79066181    
 H   -8.90439510       1.69909000       9.68103790    
 O   -5.27064371       4.79043579       8.95058632    
 H   -4.82266665       4.96142054       8.10214806    
 H   -4.79264545       5.27415228       9.61832905    
 O   -8.66301727     -0.846071959       5.06159019    
 H   -9.22393417     -0.206635863       5.52570200    
 H   -8.65916157     -0.606806695       4.12830400    
 O   -1.76751506       1.01122630       2.42926240    
 H   -2.58894944       1.52078211       2.41511774    
 H   -2.03521824       9.51593593E-02   2.57823277    
 O   -8.07679749     -0.102367207       2.26988554    
 H   -8.62953949     -0.429288268       1.56466508    
 H   -8.17741299      0.866516888       2.27595448    
 O   -4.26254749       2.26860642       2.92349768    
 H   -4.80572224       3.00011992       2.60883093    
 H   -3.96977568       2.48076034       3.82129502    
 O   -6.09199429     -0.109508269       5.40667295    
 H   -5.75141764     -0.252422154       4.51606035    
 H   -6.99318886     -0.466054559       5.42199087    
 O   -4.07909870      0.593349755       7.10031271    
 H   -3.29363084      0.101085573       6.82319403    
 H   -4.81438303      0.248343945       6.56841469    
 O   -9.23633289       3.35308242       4.89837408    
 H   -8.40386105       3.00552368       5.25679302    
 H   -9.27386093       4.27511883       5.17558002    
 O   -10.0110588       1.15120757       6.46456146    
 H   -9.97989845       1.92953658       5.89337778    
 H   -9.58585835       1.42097783       7.28673172    
 O   -8.06618690       4.84750175       8.28416443    
 H   -8.37681484       3.96266699       8.51184082    
 H   -7.14724731       4.90027714       8.57379150    
 O   -6.00608492       4.35655165       2.19468331    
 H   -5.88345909       5.08362389       1.58964229    
 H   -6.11828041       4.74043417       3.08144832    
 O  -0.633427978       1.75472093       4.77994061    
 H   0.269230515       2.05077600       4.70505190    
 H  -0.930045009       1.51729810       3.88285136    
 O   -8.28286076       2.58673739       2.37666488    
 H   -8.72716522       2.89685726       3.17771339    
 H   -7.54552889       3.18724728       2.22427058    
 O   -2.89500594      -1.49570036       3.21958876    
 H   -3.78888917      -1.17275691       3.01671529    
 H   -2.85095453      -2.39322901       2.89882636    
 O   -3.18148756       2.71802568       5.48133612    
 H   -3.52784491       2.02323961       6.05820942    
 H   -2.25649786       2.50074005       5.30757523    
 O   -6.70758057       2.57414579       5.79964542    
 H   -6.49576759       2.57026386       6.74042034    
 H   -6.53721666       1.67194283       5.49921608    
 O   -5.91442776       2.11025071       8.49584866    
 H   -5.18977833       1.56056094       8.16573238    
 H   -5.55849648       2.96981025       8.75596333    
 O   -5.30987358     -0.281565726       2.73386097    
 H   -6.24253321     -0.288425893       2.48238659    
 H   -5.00468731      0.638990581       2.72425771    
 O   -8.77076912       5.96643686       5.93216467    
 H   -8.55392361       5.60636282       6.81219673    
 H   -9.30719852       6.74086666       6.07487965    
 O   -4.14716721       5.11906481       6.52631569    
 H   -4.83906698       5.33115768       5.88728905    
 H   -3.71290159       4.32622194       6.18149424    
 O   -1.94904840     -0.596509039       5.81777859    
 H   -2.26971745     -0.982762098       4.99356842    
 H   -1.36797369      0.127612695       5.55519009    
 O   -6.34904861       5.12204885       4.78320885    
 H   -7.14794445       5.56119537       5.10052586    
 H   -6.38930416       4.21187305       5.12061691    
          69
 Energy    -249.10114254184060     
  O     15.76850111     10.18237042    -14.76736945
  H     15.97164214     10.17719782    -15.71614721
  H     19.42115248      5.45418280    -15.83336057
  O     13.80214552      4.77105203    -16.33135651
  H     14.82842445      9.97970842    -14.70095658
  H     19.15585160      7.39095026    -16.85737000
  O     18.09211383      6.50677857    -11.95191665
  H     14.53752323      4.40334246    -16.83600073
  H     17.67027232      7.67012509    -16.55761849
  O     16.78644422      6.41948957    -18.93680598
  H     13.97316716      4.58131716    -15.39845666
  H     15.58046846      7.09343032    -15.91890788
  O     13.84206858      6.22582951     -9.97380045
  H     18.92300827      6.80658614    -12.33868006
  H     16.39440589      7.34466747    -14.61559067
  O     14.38494000      4.55620666    -13.59134051
  H     17.42359816      7.14922610    -12.23849962
  H     13.17585198      8.33910665    -13.76640727
  O     16.17288869      8.15020180    -12.95035919
  H     16.09571251      7.06941882    -19.11798495
  H     12.25078975      9.45719288    -14.29604080
  O     17.73687792      4.52786797    -15.71333217
  H     17.48803723      6.90347574    -18.48727753
  H     16.86835914      2.05740761    -10.60225155
  O     13.62663035      3.56025487    -11.13846055
  H     13.53045894      6.50211800     -9.11616613
  H     16.69297246      3.20108958    -11.62800112
  O     18.74864598      9.56803950    -14.72589107
  H     14.79637882      6.05159215     -9.88229812
  H     13.70576071      6.49178289    -16.54906381
  O     16.08919667      3.97954221    -17.92564890
  H     15.33891984      4.45508417    -13.48295619
  H     13.49037940      7.94068383    -15.94537755
  O     20.08735234      6.14972867    -15.91363796
  H     13.97982798      4.10699684    -12.83471335
  H     21.03786626      8.00311238    -13.14658931
  O     18.41846000      7.96992101    -17.10116348
  H     16.07970635      8.96231265    -13.46743852
  H     19.69176912      8.37336057    -13.80651428
  O     16.42920903      6.93558272    -15.48783527
  H     15.28679324      7.82239601    -12.74787122
  H     17.51669714      4.95188871    -12.68372224
  O     13.07814864      9.01137273    -14.46180027
  H     17.29630720      4.12251354    -16.46888295
  H     17.44250876      4.10272845    -13.98627964
  O     16.38464189      2.86196245    -10.76977116
  H     17.28106315      5.37676371    -15.58949498
  H     16.50217498      4.60915807     -9.98905312
  O     13.88894724      7.43888673    -16.66460610
  H     14.49251241      3.19439634    -10.91412865
  H     17.12781959      5.94937071    -10.42207909
  O     20.19794470      7.63924628    -13.41662351
  H     13.56049492      4.39061358    -10.65187977
  H     14.01028970      8.53725653    -19.65252559
  O     17.14395167      4.14501579    -13.06807125
  H     18.74594610      9.17527245    -15.60820530
  H     14.35043354      8.04344527    -18.22360553
  O     16.46866942      5.56133787     -9.83237993
  H     17.88781956      9.98432785    -14.62717761
  H     13.85389092      6.20783064    -13.05937764
  O     14.73462213      8.38262058    -19.05236714
  H     16.33333607      4.83153375    -18.32949713
  H     13.59613791      6.86373197    -11.67951098
  O     13.64216349      7.04851259    -12.62676794
  H     16.07391132      3.33826188    -18.63135321
  H     15.84072717      9.59782195    -18.07797291
  O     16.45559093      9.99275674    -17.44785030
  H     20.19928153      6.52302037    -15.03117518
  H     17.25592320      9.45701363    -17.51035338
          69
 Energy    -249.10079338304365     
  O     13.29639341      7.02397376    -15.55025167
  H     12.77476561      7.67679322    -15.06186614
  H     13.61253009      3.89541956    -14.03634301
  O     16.79121606      5.93391707    -10.49191649
  H     14.22394486      7.20298281    -15.35289902
  H     12.73149672      6.07580787    -10.91941397
  O     12.68186563      2.05191959    -11.52450472
  H     16.44004795      6.83117689    -10.39654616
  H     12.26260355      5.67161979    -12.32659359
  O     13.77910794      7.73713384     -8.24409860
  H     17.75172926      6.01080305    -10.43078901
  H     11.27314752      8.52960306    -13.21768640
  O     18.35125874      8.74418319    -14.02430995
  H     12.97105923      2.28362354    -10.63208416
  H     12.77683419      8.82025677    -13.28961500
  O     16.58621488      5.09051766    -13.15196156
  H     13.28212037      2.49841252    -12.13531087
  H     19.53218334      6.28716117    -11.67419353
  O     10.14914018      2.94111623    -11.74095846
  H     12.95300627      7.52821867     -8.71362636
  H     20.37999002      6.19037178    -10.38200237
  O     18.28727149      9.00877604    -11.31283590
  H     13.52776912      8.12122918     -7.40776575
  H     14.92222465      8.05766401    -13.17209765
  O     13.24042224      2.89994956     -8.87603999
  H     18.80749238      9.48382593    -14.41636349
  H     13.89408413      7.38495717    -12.23170752
  O     10.82244155      4.33140909     -9.30223599
  H     18.30816079      8.91696706    -13.06680153
  H     14.48485327      5.95755042     -8.44713662
  O     11.57943825      6.92259281     -9.63766806
  H     16.59763863      5.34549295    -12.21763113
  H     15.53222520      5.25244749     -9.33303586
  O     14.13938097      3.76154719    -13.23836019
  H     15.85220185      4.47441254    -13.26468893
  H     15.14142798      8.38015107     -9.40900660
  O     13.05398634      5.83902789    -11.79614313
  H      9.53715514      2.21357503    -11.80883366
  H     15.23686415      8.54375263    -10.94679360
  O     11.97114392      8.79616613    -13.82454494
  H     11.04407550      2.55569468    -11.69785092
  H     18.38647504      5.58540893    -13.43655326
  O     19.53776860      6.48162420    -10.71928174
  H     17.45065554      8.99908969    -10.82980906
  H     19.03245420      6.94990606    -13.74612123
  O     14.33664955      8.22564705    -12.42113309
  H     18.79151630      8.25221320    -10.98876477
  H      9.12557585      7.85262689    -12.03368875
  O     14.79179260      5.09033406     -8.73342091
  H     13.82942373      3.67425954     -8.82718946
  H     10.15947626      6.78564668    -12.45791396
  O     15.76414538      8.51625952    -10.13192238
  H     13.48381043      2.32674255     -8.15390054
  H     16.73443090      7.94889786    -14.50501114
  O     19.21991657      6.07389336    -13.38632323
  H     10.45484926      3.88946377    -10.07598417
  H     16.14208607      6.57000458    -14.12530102
  O     10.04783851      7.61616339    -11.96483999
  H     11.60462109      3.81793983     -9.06020229
  H     12.71450839      5.43800005    -15.46704323
  O     15.92865810      7.41882636    -14.54056305
  H     11.03976037      7.28636737    -10.34954502
  H     12.21669945      4.16397101    -16.19476017
  O     12.36358990      4.53695693    -15.33028754
  H     11.22769245      6.04232615     -9.42630150
  H     10.42715880      4.42769717    -12.73963084
  O     10.68296603      5.23893012    -13.20095636
  H     13.87745618      4.47190115    -12.63029896
  H     11.13970727      4.98403607    -14.01335315
          69
 Ord_Energy   -249.100708    
 O    1.21721864       5.79244137       3.33241892    
 H   0.655909836       6.55950212       3.17051554    
 H    1.50301909       5.47275019       2.46910429    
 O   -3.37541389       8.01086903       3.24110150    
 H   -2.41189742       8.03346348       3.21428275    
 H   -3.66367912       7.99530983       2.32028556    
 O    2.02474618       4.61389303      0.804545820    
 H    1.40871990       4.79108191       7.15237185E-02
 H    2.90511274       4.73953152      0.460232884    
 O   -4.73522568       5.69192266       3.84060073    
 H   -4.95670414       5.45829582       2.93052983    
 H   -4.31008196       6.56100082       3.79774165    
 O   0.526736021       2.38259745       1.57014310    
 H    1.18500352       3.06090927       1.37118423    
 H   0.701014936       2.02771926       2.45149088    
 O   -1.74279070       7.38887712E-02   3.62562203    
 H   -2.46308565      0.596526206       4.00302124    
 H  -0.917451143      0.508907497       3.86868262    
 O   -4.59623718       1.35943723       1.33768225    
 H   -4.03661776      0.580158651       1.22977138    
 H   -4.19918680       2.05567837      0.794278920    
 O   -4.23830509       7.45961571      0.520340502    
 H   -4.76608896       8.01299763      -5.02342992E-02
 H   -4.76683950       6.66550016      0.703562617    
 O   -3.48303771       3.49556375      -3.45739499E-02
 H   -2.82880902       3.68167067      0.658931673    
 H   -2.98147130       3.37008810     -0.847687721    
 O   -1.60469246       3.00049472      -2.05410028    
 H   -1.61160803       2.69811678      -2.95805764    
 H   -1.33107233       2.24170256      -1.50464666    
 O   -5.42566776       5.04861069       1.11619031    
 H   -6.11285162       4.40978098       1.33846879    
 H   -4.75290680       4.54777431      0.628631532    
 O   0.717372417       1.41337430       4.18126440    
 H    1.40377629       1.01681757       4.71008205    
 H   0.540770233       2.29440451       4.56216240    
 O   -2.54856610       4.08317900       4.42616177    
 H   -2.96269488       3.20969152       4.39304924    
 H   -3.26727891       4.72377348       4.34576702    
 O   -1.63420045       4.14305878       1.83044231    
 H  -0.881356478       3.54298973       1.76041555    
 H   -1.90863299       4.16455746       2.75633931    
 O   -6.15815544       3.32983518       4.60188341    
 H   -5.77380753       4.21405458       4.53412724    
 H   -6.58602095       3.16694760       3.75283527    
 O   0.171639174       3.87578034       5.04059219    
 H  -0.781241417       4.02699137       4.99350214    
 H   0.586118102       4.57237720       4.51062536    
 O  -0.526161253       7.98653030       2.63562846    
 H  -0.117831059       8.81354713       2.38823104    
 H  -0.814741910       7.55919695       1.81183553    
 O  -0.907276869       1.02189302     -0.377851546    
 H  -0.338287294       1.42287314      0.295186013    
 H   -1.48930264      0.412019491       8.84587467E-02
 O   -6.93268490       2.76558495       1.85710406    
 H   -7.72502375       2.31160474       1.58049572    
 H   -6.18949556       2.16845131       1.66842282    
 O   -2.63525867     -0.641911507       1.19005060    
 H   -2.67153764      -1.59231329       1.12382114    
 H   -2.26011443     -0.436608076       2.06671929    
 O   -3.97074962       1.71788955       4.10501909    
 H   -4.74882412       2.17100048       4.46178007    
 H   -4.14931870       1.59882545       3.16307163    
 O   0.163477331       5.07818079      -1.12210333    
 H  -0.397088408       4.38779259      -1.49496949    
 H  -0.434293389       5.71207809     -0.702453077    
 O   -1.55014646       6.56754017      0.514631152    
 H   -2.46059418       6.86489153      0.400452048    
 H   -1.57462907       5.73416853       1.01301539    
          69
 Energy    -249.10059971385130     
  O     19.20944324      7.58255064    -13.97399410
  H     18.84571809      7.91953759    -13.14386374
  H     13.20083297      7.69059994    -12.82137960
  O     13.72140872      6.11882683    -10.05701204
  H     18.58015080      7.83979630    -14.66058106
  H     16.34662619      5.73950785    -13.06885239
  O     12.25754370      3.73050777    -10.33315114
  H     13.93476799      6.91718871     -9.55816520
  H     15.07335539      6.64296728    -13.12411481
  O     16.19432433      5.87194486    -17.59909483
  H     14.51732919      5.56568635    -10.04984872
  H     19.31256204      5.84008450    -14.06240498
  O     17.35584044      3.82900434    -15.97765236
  H     12.94431158      3.12960098    -10.01733928
  H     20.20522731      4.57948036    -14.08558111
  O     14.68374884      8.44205841     -8.85287957
  H     12.59661753      4.61941257    -10.16676435
  H     13.91940973      7.81878001    -16.07348965
  O     14.51972669      2.05409982     -9.80458036
  H     16.22189452      5.92061204    -18.55203224
  H     15.21994142      8.56906218    -15.75524173
  O     16.93702856      7.80844797    -15.65736990
  H     15.25855579      5.87986969    -17.34368660
  H     12.73453116     10.17153299    -13.40440810
  O     11.61671692      2.85046940    -12.81607895
  H     17.04998607      4.51846382    -16.57833386
  H     13.69193891      9.25159052    -14.19727547
  O     14.06863498      1.38926161    -12.40005203
  H     18.06946678      4.21221847    -15.45264449
  H     12.51402507      3.97624695    -13.97962610
  O     15.40970898      2.96914151    -14.26582587
  H     14.86329214      8.96827970     -9.65340103
  H     13.13032247      5.38295111    -13.79955780
  O     13.30857067      6.74041853    -12.69137074
  H     14.51912531      9.06064929     -8.14691684
  H     13.36409364      5.46853293    -15.93366427
  O     16.00155164      6.58622222    -13.37888477
  H     14.63042569      1.27169903     -9.27117130
  H     12.74225675      5.92826093    -17.26766861
  O     19.29691066      4.86853920    -14.11744386
  H     14.42932185      1.75473800    -10.72719795
  H     14.69406031      9.70616287    -11.92462303
  O     14.25685082      8.65378155    -15.73251371
  H     16.84207566      7.18988631    -16.39121229
  H     16.12668599      9.37531721    -11.42374589
  O     13.37185548      9.46917045    -13.30388485
  H     16.61309905      7.34373640    -14.86673405
  H     16.55330799      3.65831460    -13.04956430
  O     13.08907447      4.62546141    -14.40418594
  H     10.72902115      2.50279282    -12.81088345
  H     17.95071472      4.34735700    -12.94085942
  O     13.53049846      5.99538049    -16.73330202
  H     11.78047868      3.21198308    -11.92560671
  H     17.58903400      7.80202531    -10.87845825
  O     15.27107278      9.73626323    -11.15377074
  H     13.18275888      1.72033521    -12.59028268
  H     17.01487778      7.66562833    -12.30834406
  O     17.11798511      4.19672840    -12.47572380
  H     14.63638399      1.78070806    -13.07804148
  H     16.85651843      6.06575495     -9.41027539
  O     17.58225709      8.21953626    -11.75253546
  H     14.66410284      3.57335181    -14.37210531
  H     16.38118547      7.46874276     -8.99795883
  O     17.15364620      6.97823674     -9.30342468
  H     16.05732611      3.17155028    -14.95819333
  H     16.44102899      4.36887653    -10.83539568
  O     15.96334542      4.47491423     -9.99928928
  H     13.38950007      6.56603993    -11.74230561
  H     15.54969036      3.62295511     -9.81455163
          69
 Ord_Energy   -249.100189    
 O  -0.980296612       5.19184256      0.695787489    
 H  -0.320931882       4.59276152       1.07168972    
 H  -0.927761972       5.07461929     -0.260312349    
 O   -1.51561666       1.70923603      0.202425912    
 H   -2.29710126       2.20836258      -6.18690811E-02
 H   -1.16806018       1.23556662     -0.563112497    
 O    1.83758211     -0.652353168      0.774263263    
 H    1.13290131      -1.28079176      0.563782334    
 H    1.57403374     -0.207961917       1.58779633    
 O   -2.90970707       3.00219297      -2.76332045    
 H   -2.09307265       3.50317621      -2.64885974    
 H   -3.42039680       3.17274189      -1.95935047    
 O   -2.80123806      -1.68606472       1.32528865    
 H   -3.33906913      -1.21542418      0.671442628    
 H   -2.51313281      -1.02488649       1.96764541    
 O   0.622784019       3.01047587       1.38976192    
 H  -0.134618923       2.60268116      0.938170373    
 H   0.881464243       2.38069606       2.06941485    
 O   -3.91076994       2.27737355       3.19760466    
 H   -4.57486296       1.94959486       2.57812905    
 H   -3.68387055       3.16483116       2.89306307    
 O   0.859173000      0.729182661       3.10674381    
 H  -0.106014222      0.619814396       3.07047653    
 H    1.11624420      0.593591630       4.01534796    
 O  -0.409100533      -2.11924934      -8.63535777E-02
 H   -1.17138517      -1.96054113      0.484971553    
 H  -0.692640901      -2.79218960     -0.723022699    
 O   -1.85376430      0.548951209       2.66485453    
 H   -1.72304165      0.894325972       1.76697290    
 H   -2.54808140       1.10416949       3.04746318    
 O   -3.40524745      -2.34147120      -3.58329558    
 H   -3.26015639      -1.39653039      -3.41010332    
 H   -3.46188068      -2.43783283      -4.53094006    
 O   -5.29187775      -2.84590125      -1.49527442    
 H   -4.83612871      -3.44059491     -0.885828912    
 H   -4.74303770      -2.80153608      -2.28990030    
 O  -0.399921417       6.31067678E-02  -1.78125632    
 H   0.525500178      0.302336872      -1.90326679    
 H  -0.404626608     -0.724348545      -1.21707320    
 O  -0.587732255       4.57056427      -2.10946870    
 H  -0.305013686       5.27226639      -2.69158554    
 H   0.214662686       4.07256031      -1.87290800    
 O   -2.89934635      0.266857415      -2.83187079    
 H   -2.99721050       1.22219098      -2.95545387    
 H   -1.97591066      0.133375093      -2.56952381    
 O   -3.94177246       3.19158340     -0.197590366    
 H   -4.62088966       2.60991096      0.165213138    
 H   -3.77674818       3.86074877      0.479034632    
 O   -4.42122221     -0.431665748     -0.571045518    
 H   -3.90623736      -9.63247120E-02  -1.31586516    
 H   -4.86240911      -1.24111617     -0.870546103    
 O    1.60536134       3.23468041      -1.22444224    
 H    1.96522188       2.36722302      -1.44303632    
 H    1.44951177       3.21511054     -0.270263165    
 O   -1.71672845      -3.83651376      -1.77352309    
 H   -2.35644460      -4.11562777      -1.10608006    
 H   -2.22596455      -3.37551641      -2.45115113    
 O   -3.32629371       4.84649944       1.97776103    
 H   -3.65985465       5.68310690       2.29090524    
 H   -2.45866442       5.02751780       1.57317066    
 O    2.36809683      0.546979249      -1.60074472    
 H    3.11547709      0.122884668      -2.01316071    
 H    2.26530957      0.141310453     -0.720370412    
 O   -5.64953661       1.35798919       1.07221675    
 H   -6.59414101       1.22574592       1.05809605    
 H   -5.26264000      0.666968703      0.507467449    
 O   -3.59357023      -4.17527580      0.385927826    
 H   -3.31608486      -3.36392999      0.842464149    
 H   -3.68292069      -4.84907532       1.05528450    
          69
 Energy    -249.09950652188559     
  O     15.98543769     10.70910578     -9.26216614
  H     15.12215288     10.56949086     -9.67648767
  H     12.94840270      5.91169753     -6.04879445
  O     15.19547906      4.08755913     -8.34155298
  H     16.65770050     10.44708520     -9.90746150
  H     16.62281600      7.36220900    -12.80316186
  O     16.54324569     12.21138245     -7.07910240
  H     15.33834005      3.14587767     -8.38841062
  H     16.92309835      6.81844281    -11.39032590
  O     12.63652119      5.22317062     -7.57596857
  H     15.42807920      4.36285642     -7.43603041
  H     15.81930026      5.44259069     -9.39388511
  O     13.64670046     10.04986398    -10.52604363
  H     16.43480642     13.14248128     -7.25371230
  H     15.93386396      6.97645925     -9.16293565
  O     17.78078056      9.80474453    -11.12330753
  H     16.30742925     11.74079696     -7.89809060
  H     17.88401559      8.33183565     -5.11560049
  O     19.72912947      9.35844771     -9.14971716
  H     13.39567876      4.77989482     -7.96832860
  H     18.43246315      8.83783609     -3.75965386
  O     11.75911374      7.04276071     -9.44665634
  H     12.26965909      5.81218696     -8.25211856
  H     16.30031064     10.37591838    -12.28704766
  O     15.49385958     10.38556785     -5.14868863
  H     12.97479381     10.07102785     -9.83314404
  H     14.77502883     10.49788543    -12.07387765
  O     11.90271968      9.72352818     -8.33976773
  H     13.73608953      9.11943978    -10.78008357
  H     14.84044487      8.39220357     -7.44700857
  O     13.51753717      8.88673880     -6.29199165
  H     18.53832714      9.73449218    -10.52885181
  H     15.84784705      9.11283334     -8.37993570
  O     13.23480034      6.32993662     -5.21385016
  H     17.66501036      8.92348766    -11.51189413
  H     18.16393614     11.23409968     -6.93631817
  O     17.31573627      7.29250842    -12.13521425
  H     19.43644827      9.79285271     -8.32931794
  H     18.69726136     10.10115863     -6.04968864
  O     16.09660115      6.27029651     -9.80833533
  H     20.66784343      9.51491063     -9.22081376
  H     16.42561445      5.70575811     -5.90308994
  O     18.00810351      9.12428841     -4.56392367
  H     11.69307131      7.93838899     -9.09749514
  H     14.94594868      5.48489452     -5.50880746
  O     15.45439015     10.39747821    -12.75242103
  H     12.39131674      7.08868273    -10.17592740
  H     14.17172367      7.43077121    -12.19043833
  O     15.63063565      8.25908115     -7.98525620
  H     16.30054235      9.96801645     -4.82398359
  H     14.60834496      6.91684832    -10.79445176
  O     18.86302306     10.57205628     -6.87500623
  H     15.78873337     11.09158688     -5.73759482
  H     19.18895337      7.52625365     -8.91925950
  O     15.72796331      5.03863703     -5.85513051
  H     11.14313639     10.18593740     -7.99443093
  H     18.13432201      6.43613031     -9.20810234
  O     13.89021036      7.35245917    -11.26999217
  H     12.44213040      9.46131335     -7.57431754
  H     18.16983249      6.85598636     -7.00420228
  O     18.89091540      6.64659726     -8.65282463
  H     13.39171687      8.05183118     -5.82253819
  H     16.83554195      7.58857545     -6.82102502
  O     17.53213429      7.12793358     -6.32916164
  H     14.15147806      9.43179984     -5.79927217
  H     14.84341932      7.89092512    -14.70324575
  O     15.04184757      7.90350069    -13.77125532
  H     12.66801950      5.99084209     -4.52626128
  H     15.18095563      8.83524181    -13.52297483
          69
 Energy    -249.09939543868143     
  O     19.26021663     10.15678889    -14.58752034
  H     18.58274245      9.78564208    -15.16348487
  H     15.65277996      9.42540465    -13.70849206
  O     21.86133044      7.56123751    -11.30385985
  H     19.89163265      9.43856608    -14.43007055
  H     18.96092187      7.51745488    -13.22612998
  O     15.53320711      8.30006637    -10.07277306
  H     21.55833712      6.64522806    -11.44317538
  H     17.60354266      8.04999898    -12.68638175
  O     12.64823274     10.13481663    -13.44195845
  H     22.76368624      7.51118882    -11.00045341
  H     15.06959689      6.03254240    -14.19859680
  O     17.25585760      8.82928994    -16.18811670
  H     15.16557619      7.48074698    -10.43835924
  H     14.61407666      7.51584769    -14.24464376
  O     11.67379822      7.42477225    -13.59526400
  H     16.29051865      8.05985523     -9.52552782
  H     18.58738823      8.18236340     -9.23223400
  O     18.37613933      5.57401130    -10.68903190
  H     12.15031098     10.94725464    -13.47738994
  H     18.15869013      7.67079915     -7.83524255
  O     14.27660879      6.13321155    -11.26804323
  H     12.81040573      9.94826062    -12.49944011
  H     19.80181033      5.57525053    -15.30798892
  O     20.86559930      5.11652212    -11.89233427
  H     16.45366089      8.98742093    -15.66468557
  H     21.12477918      4.78295247    -15.37550797
  O     16.18374778      4.03382613    -11.62575986
  H     17.05824864      9.12495918    -17.07480426
  H     12.45879869      8.63559632    -10.72446935
  O     20.72210741      7.95845808    -13.83794459
  H     11.85042882      8.37065475    -13.66822051
  H     13.86963548      9.18463188    -10.45559304
  O     15.10763651      9.28004335    -14.49904273
  H     12.49477954      6.99245441    -13.87116145
  H     19.53711544      9.78009352    -10.79198669
  O     18.10212985      7.24718993    -12.88203367
  H     18.23963106      6.12062286     -9.90765233
  H     20.49089875      8.58833819    -10.52428006
  O     14.31964952      6.62006980    -14.03434454
  H     18.26415012      6.17194400    -11.44489862
  H     19.10603366     12.00261846    -12.00677696
  O     17.93607363      7.63051993     -8.76151500
  H     14.31519419      6.31464796    -12.21857214
  H     19.07248289     10.80945290    -12.99327385
  O     20.60944396      5.35353684    -14.81123603
  H     13.35346232      6.25197807    -11.01386260
  H     17.17916660      5.92434295    -13.71859122
  O     13.01355006      9.41885901    -10.83407363
  H     20.01247965      5.09472501    -11.43593606
  H     16.49896231      4.59110077    -13.34114202
  O     19.73966003      9.07651728    -10.16468795
  H     20.68584783      5.03965740    -12.83625823
  H     17.66648161      5.62604827    -15.55437451
  O     18.93114868     11.06721209    -12.06370974
  H     15.45704961      4.62055906    -11.37870729
  H     18.01208735      7.00786973    -16.14438989
  O     16.66903519      5.18507225    -14.08578189
  H     16.96496345      4.40271502    -11.19218399
  H     11.50678727      7.05515463    -11.88506829
  O     18.32486555      6.09827213    -16.08589475
  H     21.20931387      7.92597003    -13.00504580
  H     10.76448777      6.55682506    -10.62085238
  O     11.58582383      6.93536945    -10.92116999
  H     20.82057530      7.09300838    -14.25705591
  H     17.32401064     10.15635091    -12.06959913
  O     16.61712008      9.52934351    -12.26289391
  H     14.24186200      9.65473919    -14.29556878
  H     16.24818876      9.19313320    -11.43380765
          69
 Energy    -249.09909842793613     
  O     18.40316063      8.55330264    -13.42169077
  H     19.07616029      8.94725850    -13.98681468
  H     13.47152980     11.32487891    -15.14140510
  O     16.00799391     15.64579112    -11.44891151
  H     18.18451313      9.23454186    -12.76854322
  H     17.16214977     11.14627212    -12.59566930
  O     19.69019197     12.37260722    -12.96159977
  H     15.43737165     15.81288619    -12.22299401
  H     17.00531169     10.65815396    -11.15474046
  O     18.11165390     12.93513757    -17.57167284
  H     16.08101389     16.46854387    -10.97375859
  H     15.04629267     16.35336990    -16.93629155
  O     19.98698888     10.39607770    -14.97048767
  H     19.07102858     13.11789471    -12.99872841
  H     15.25297363     14.83781533    -16.72053606
  O     14.14594146      9.47337076    -12.61241336
  H     19.23813263     11.73874404    -12.38981957
  H     16.81585657      7.88956368    -13.73157805
  O     15.39378545      8.92480450    -16.31878895
  H     19.02517203     12.63357849    -17.64809489
  H     15.89520168      6.65051480    -13.69698263
  O     20.81227861     12.06699245    -17.15937028
  H     18.12481822     13.68045686    -16.95224464
  H     17.95782729     14.81298026    -14.80815840
  O     14.42677713     15.85418734    -13.61567726
  H     19.96107492     11.08014645    -14.28548506
  H     17.24776045     15.45591661    -16.00276615
  O     15.32576983     10.71720776    -10.28916978
  H     20.38546764     10.80485612    -15.74835169
  H     13.82649705     13.41063896    -11.49267608
  O     17.45508037     10.72252297    -16.06596931
  H     14.55049521      9.79653668    -11.79849475
  H     15.10830763     14.03799137    -10.92814690
  O     13.48116018     11.55858161    -14.20589061
  H     14.74153657      8.80822757    -12.97948010
  H     17.07136286     13.48548413    -13.43227647
  O     17.65008076     10.73245127    -11.86718481
  H     15.45961437      8.38051834    -15.52641925
  H     17.19925852     14.73716962    -12.50966689
  O     15.37001963     15.71223424    -16.30804142
  H     16.18679376      9.48252265    -16.31241083
  H     11.67828875     13.75980284    -12.85200833
  O     15.89675516      7.59191784    -13.85021340
  H     20.87152093     12.77738014    -16.49442022
  H     12.87603061     12.97235778    -13.43513345
  O     18.08732316     15.06321907    -15.73632766
  H     21.61607494     12.10075625    -17.67123714
  H     13.06118834     10.64842926    -17.56322042
  O     14.54793137     13.25515233    -10.87151884
  H     14.72994283     15.78836611    -14.52899720
  H     14.27963226     10.14836040    -16.75076502
  O     17.65968294     14.21446893    -13.17522347
  H     13.74475217     15.18161065    -13.49018261
  H     16.63064353     11.56519952    -14.70609729
  O     12.62766429     13.77296312    -12.93969924
  H     15.04920605     11.63351362    -10.47098147
  H     15.29724404     11.90821708    -13.98337657
  O     13.71592603     10.92409592    -16.92717429
  H     15.08059079     10.53313374     -9.38638738
  H     20.52419693     13.49701682    -14.37175188
  O     16.25375365     12.01016718    -13.93472446
  H     18.30075156     10.48435386    -15.66470570
  H     19.91529204     14.49333039    -15.38788617
  O     20.69108574     13.94624029    -15.20912725
  H     17.63039111     11.46746935    -16.65533311
  H     14.77950134     12.46990101    -17.33813496
  O     15.25803855     13.28864888    -17.51061582
  H     13.61984974     10.75472627    -13.67850046
  H     16.16797319     13.05299805    -17.72844532
          69
 Energy    -249.09883518869745     
  O     -1.02303482      0.14949498      1.15031348
  H     -0.99177603     -0.81270016      1.13207241
  H     -2.94571543     -1.54240399      4.07631077
  O     -1.28677739      5.09742044     -0.97057582
  H     -0.47497348      0.44639778      1.88969578
  H     -2.62694091      4.21722262      4.64139314
  O     -2.24511889      4.17327384      1.49392140
  H     -1.37379307      5.84359259     -1.55683291
  H     -3.09610997      4.39019461      3.18775083
  O      1.77271023     -0.89613579     -0.58883813
  H     -1.46745867      4.29884416     -1.49956913
  H     -0.48366772      1.02934381      4.43547205
  O     -3.78564066     -2.51432725      1.07668675
  H     -2.00165903      4.58719734      0.65644384
  H     -1.27439348      0.06383362      5.33916496
  O     -2.89099110     -1.39479656     -1.41267363
  H     -2.61861273      3.30606878      1.28605523
  H     -3.59806895      1.55150579      2.08428652
  O     -1.70096987      2.75737206     -2.25368056
  H      1.44863503     -0.01590045     -0.83046189
  H     -2.51549183      1.04488107      1.10825293
  O      0.38163325      1.47537123     -0.89052546
  H      1.13555649     -1.50724419     -0.97455125
  H     -2.83267218      1.28450979      4.31605224
  O     -0.40651119     -2.49024181     -1.60560636
  H     -3.79795105     -2.04485467      1.93007969
  H     -3.81129117      2.43243685      4.02987721
  O     -0.99020747     -2.72741508      1.11162590
  H     -4.47967701     -3.16723982      1.11790671
  H     -0.66679133      3.98238915      6.38814290
  O     -1.39988464     -1.78828838      5.18352774
  H     -3.25009846     -0.50920064     -1.53911021
  H     -1.02406217      2.76672162      5.50572744
  O     -3.68078915     -1.31513576      3.49417586
  H     -3.28795465     -1.72915387     -0.59834676
  H      0.96596140      4.02645488      1.12588774
  O     -3.41502453      4.22232076      4.08500518
  H     -0.95787971      2.23121962     -1.92476156
  H      0.39247119      4.45582320     -0.23586029
  O     -1.16771452      0.99789845      5.12339213
  H     -2.49580782      2.23545435     -2.09719931
  H      0.03678827     -2.57997098      2.58213095
  O     -3.31326956      1.59503969      1.16292639
  H     -0.13546777      1.02682137     -0.20634650
  H      1.27288741     -1.77763544      3.02202930
  O     -3.69249298      1.47830900      3.91794811
  H      0.72728674      2.29617839     -0.50884027
  H      1.42916125      0.71962148      2.74711618
  O     -0.92251761      3.73297877      5.50344150
  H     -0.36295279     -3.04431086     -2.38039159
  H      0.67246394      2.10851599      2.90527629
  O      1.09034774      3.92880191      0.17402979
  H     -1.27083901     -2.04123831     -1.63341596
  H     -0.67190556      3.97152839      2.37590037
  O      0.53753415     -2.29752786      3.36219358
  H     -1.95362544     -2.79791463      1.12566954
  H     -0.06181404      3.97920927      3.79130664
  O      0.64700569      1.16145409      3.09956173
  H     -0.71268564     -2.80426823      0.18944512
  H     -3.85278650      1.39757144     -0.50185867
  O      0.16255918      3.87064515      2.85997147
  H     -1.36330463     -2.45761955      5.86157395
  H     -4.89383102      1.45764932     -1.64435938
  O     -3.98630481      1.23528492     -1.45192917
  H     -0.66943246     -1.97511191      4.56620492
  H      3.45221284     -0.70414165      2.06618851
  O      2.50396661     -0.61455980      2.02030954
  H     -3.87299528     -0.38314062      3.65653115
  H      2.25978704     -0.75086428      1.08765403
          69
 Energy    -249.09864562696316     
  O    -10.91378677      7.05488919     -0.61816621
  H    -11.27216886      6.19485742     -0.36287277
  H     -8.67611662      9.47707788      4.96709458
  O     -6.62066278     10.86766775      3.12757894
  H    -10.60813847      6.99022213     -1.53158774
  H     -8.69121816      7.13151282      4.55740058
  O     -7.38073854      9.38728874     -0.63165261
  H     -6.82644069     11.32172809      2.30085948
  H     -7.39940314      7.89780949      4.30557460
  O     -7.19049419     11.93044212      0.54334448
  H     -7.41072114     10.90300521      3.67888525
  H    -12.66243564      7.75365482      2.67348466
  O     -5.85893445      7.15165449     -1.24172596
  H     -7.98813929      8.95011202     -0.01870430
  H    -13.68633414      8.77627745      3.21839110
  O     -9.25526596      3.90423595      0.08155112
  H     -7.18956604     10.25796183     -0.26031169
  H     -8.78499410      5.29600831      2.96964871
  O     -9.06662223      8.06584517      1.18604856
  H     -8.16200456     12.01599387      0.55965492
  H     -9.27788632      6.67118471      2.47308732
  O     -9.88785511      7.05302274     -3.22436652
  H     -6.84260050     12.76082044      0.23014469
  H    -10.90398626      4.26264377      0.23216711
  O     -9.29262332      9.62630711     -2.70841175
  H     -5.11130485      7.37032862     -1.79308322
  H    -12.36588897      3.88906830     -0.11795449
  O    -12.64858734      9.16974949     -0.15138794
  H     -6.31935148      7.98538635     -1.05465319
  H    -12.08218377     11.62997032     -2.04534310
  O    -12.12168474      6.11287872      2.64261892
  H     -8.79267137      4.36877649     -0.63210457
  H    -11.92790458     10.44530280     -1.06193557
  O     -8.94909150     10.40460447      4.84254913
  H     -8.65121267      3.88200064      0.83142137
  H     -6.39977559      9.12668505      2.79270186
  O     -8.13490634      7.82688750      4.92974965
  H     -9.54839032      8.76908650      1.64783907
  H     -7.35115792      8.10767732      2.12518805
  O    -12.90844612      8.69669337      2.67326964
  H     -9.67031317      7.66503571      0.54318051
  H    -10.40654028     11.75826843     -0.14606052
  O     -9.39409618      6.01716080      3.17492014
  H    -10.25278062      6.94297982     -4.09783348
  H    -10.15083975     11.34257503      1.32041512
  O    -11.82845381      4.57565433      0.26593334
  H     -9.65553823      7.99469749     -3.13025450
  H     -5.68618817      6.21497489      0.43140828
  O    -11.43567365     11.11837165     -1.56637591
  H     -8.58540833      9.63267754     -2.05076890
  H     -5.82149134      6.68463671      1.88689608
  O     -6.53733331      8.18017713      2.63918422
  H    -10.00285547     10.17805664     -2.35791815
  H     -6.82628922      4.71511591      1.94569489
  O     -9.86542766     11.95435011      0.62794582
  H    -12.86559745      9.09002456      0.78332059
  H     -7.04131001      3.41802828      2.75978260
  O     -5.71124621      5.89349192      1.33932653
  H    -12.09876626      8.39950994     -0.35620742
  H    -11.32278743      9.62672175      2.69929157
  O     -7.50530670      4.12128377      2.31385629
  H    -12.16363286      5.53753807      1.86967169
  H    -10.03080126     10.18612577      3.40359320
  O    -10.45177886     10.01664558      2.55008483
  H    -11.22362119      6.00714430      2.98599702
  H     -8.58792960      5.90702527     -2.44431376
  O     -7.99986030      5.37314874     -1.89710785
  H     -9.01803559     10.79061193      5.71131616
  H     -7.23456710      5.92932894     -1.71093549
          69
 Energy    -249.09845641471838     
  O     11.90278826      3.88796724    -11.90537963
  H     11.29025461      4.50692802    -12.32971496
  H     14.55798067      9.17817216    -12.85189690
  O     17.97067877      7.83462080    -12.71724268
  H     12.62480418      3.73589650    -12.52660723
  H     17.02702932      7.34763332    -11.26135968
  O     16.17970638      9.65353621     -9.31629331
  H     18.60242754      7.12158760    -12.87229075
  H     16.34948030      7.89578765     -9.97181774
  O     10.76873825      9.46772579    -12.85034844
  H     17.34861702      7.82785058    -13.45861968
  H     13.36133254      7.66406152    -11.30521629
  O     16.59100532      3.12588903    -14.84057777
  H     16.67357739     10.06626109     -8.61257656
  H     14.88371018      7.44814042    -11.48407333
  O     11.44645338      7.62932264    -14.91888350
  H     16.54268077      9.99472151    -10.15412951
  H     10.56491707      6.38847170    -13.69999627
  O     15.46821704      4.54988039    -10.86086793
  H     11.44106194     10.13380837    -12.66624471
  H      9.97483680      6.42610831    -12.28210376
  O     13.37423905     10.09186494     -9.72363312
  H     11.06313868      8.95514594    -13.61376541
  H     18.91231389      4.86711279    -12.83849676
  O     17.63949882      5.55790586    -15.48239271
  H     16.78207498      2.49091959    -15.52541987
  H     20.36883547      5.27189457    -13.17541375
  O     17.11521698     10.34980183    -11.76170905
  H     16.92296076      3.98653420    -15.15248135
  H     13.92900943      5.44507909    -14.12577618
  O     12.73643529     11.36562784    -12.04698321
  H     12.29901054      7.17724475    -14.80529745
  H     13.84064613      6.82925719    -13.45069751
  O     14.81016458      9.97613348    -13.34265950
  H     11.27222808      7.65325625    -15.85652081
  H     15.32385599      7.29631091    -14.75488992
  O     16.41166094      7.12361808    -10.54741062
  H     15.86458961      5.41670638    -10.68937385
  H     15.74466129      8.75880577    -14.56184617
  O     14.07312185      7.67668536    -11.95655758
  H     14.65549019      4.52939654    -10.34144800
  H     17.38730298      3.31781951    -13.09796804
  O     10.25318066      5.82473717    -12.98347302
  H     12.95576988      9.22744173     -9.61757339
  H     17.04416688      3.84857974    -11.68870301
  O     19.46168917      5.55075441    -13.26296889
  H     14.30974750      9.96185151     -9.52668417
  H      8.88522952      8.11907809    -10.69041599
  O     13.80286741      6.38341510    -14.31357548
  H     17.16811305      6.39762502    -15.43084423
  H     10.05384967      8.47702603    -11.64389334
  O     16.08650293      7.89115404    -14.81208240
  H     18.36283057      5.61511184    -14.84485623
  H     14.74973337      4.10311718    -12.52001343
  O     17.77963144      3.66028105    -12.28470500
  H     16.34121682     10.38842095    -12.34016829
  H     15.03281019      3.48617535    -13.91595463
  O      9.73840959      7.82154154    -10.99349220
  H     17.63132207      9.59901890    -12.08344871
  H     12.63744568      4.15902119     -8.87183143
  O     14.33517155      3.85139426    -13.35840619
  H     12.95737376     10.94795373    -11.19464111
  H     12.49015929      4.40612682    -10.39361319
  O     12.91443367      4.73624654     -9.57861189
  H     12.52200599     12.27535815    -11.85861478
  H     11.35131789      7.53547122    -10.16674272
  O     12.26699323      7.48623057     -9.85986435
  H     14.14288137     10.62668525    -13.09527050
  H     12.46764156      6.56034874     -9.67288949
          69
 Energy    -249.09798424512843     
  O     13.05926708     12.98735385    -14.51570665
  H     12.68574363     12.17053832    -14.86549046
  H     17.68710163     11.30601462    -16.14500500
  O     17.96146440      7.47907915    -13.81815987
  H     13.50767582     13.39904449    -15.26458398
  H     15.31874269      8.20049753    -17.82680860
  O     19.17298867     12.34258139    -13.24604736
  H     17.33474032      6.86459312    -13.41838704
  H     13.78294370      8.14941729    -17.86440913
  O     16.75094479     14.39589188    -15.39782448
  H     17.68702936      7.57094284    -14.73797984
  H     16.90078572     10.44989234    -13.07261718
  O     15.86326167      5.87880498    -12.68229688
  H     19.06586684     11.44098737    -12.91361334
  H     16.25007548     11.84868433    -13.22712538
  O     16.98243275      9.74249639     -9.94269748
  H     18.41752359     12.84455052    -12.91231418
  H     13.29539299     10.71639436    -16.37123429
  O     15.31200743      7.54431685    -10.63370603
  H     17.49423362     13.87682360    -15.72904021
  H     12.33401203      9.55567542    -16.05539593
  O     13.94139239     13.42427409    -11.96183201
  H     16.00163252     14.21649017    -15.97766655
  H     18.02723913      9.66919007    -11.49053999
  O     12.45075302      7.68827024    -16.50258146
  H     15.97893266      4.99059040    -12.35633792
  H     18.35157522      8.92046861    -12.83684496
  O     16.56771902      7.95752009    -16.31922666
  H     15.67166655      6.44168621    -11.91012072
  H     13.15536288      9.32369464    -11.77446198
  O     14.38546984      7.26625645    -14.59985817
  H     16.23949911     10.36244841    -10.05340639
  H     12.01728429      9.00926464    -10.77083624
  O     16.92220141     10.72388626    -16.06433884
  H     17.35806443      9.91933651     -9.08376866
  H     15.76400636     13.70417724    -12.41450172
  O     14.55040832      8.50539422    -18.32721964
  H     14.45348008      7.98417875    -10.61304963
  H     16.63554926     13.97565680    -13.67973575
  O     16.13697292     10.91374240    -13.44272460
  H     15.95354350      8.20871136    -10.35378567
  H     19.80384460     12.79114421    -16.34148971
  O     12.58980045     10.44057633    -15.76783278
  H     13.60769999     13.24201492    -12.85745565
  H     19.12359134     12.52339468    -14.97733562
  O     18.40720857      9.76987916    -12.37257244
  H     13.39362934     14.12065389    -11.60731313
  H     14.56537380     10.29960216    -18.01174497
  O     12.95941012      9.13705963    -10.83850756
  H     13.10529254      7.41384038    -15.83752023
  H     15.49107590     11.05820665    -17.04034553
  O     16.63883910     13.57166291    -12.79617685
  H     11.83405464      6.96672343    -16.59609255
  H     14.04365692     10.60913507    -10.31459560
  O     18.95930180     12.62314308    -15.93320591
  H     16.74817762      8.90747169    -16.25942595
  H     14.49387904     11.99904186    -10.80807464
  O     14.66181267     11.13699299    -17.53710264
  H     15.82112484      7.76824856    -15.73414054
  H     14.05479522     14.31922267    -17.62998713
  O     14.74430706     11.26820964    -10.23109991
  H     14.19741393      8.07539845    -14.10211430
  H     14.47209552     12.87877383    -17.25787721
  O     14.40514192     13.78747260    -16.91938749
  H     14.83850944      6.66721953    -13.99364728
  H     14.58561343     10.13198777    -13.33129576
  O     13.73837838      9.66183790    -13.37796408
  H     16.61104388     10.80268667    -15.15059756
  H     13.27705987      9.98005476    -14.16439708
          69
 Energy    -249.09782588153953     
  O     11.73970490     10.26133130    -11.21756813
  H     12.16544119     10.74662271    -11.93778647
  H     14.69712655      6.26883685    -15.90649440
  O     13.74272457      7.05056414    -14.63621256
  H     11.25380463      9.54057294    -11.63386688
  H     17.10635371      6.54252913    -16.51813616
  O     18.41351683     10.66068019    -11.34300769
  H     13.63756522      6.84249445    -13.69724261
  H     17.93347253      7.65806750    -17.18117586
  O     17.46912379      9.14375555    -18.25493601
  H     13.13094761      7.77627188    -14.81710021
  H     15.37646661     11.31892068    -15.82454628
  O     12.00665980      9.21846906    -14.74282787
  H     18.33411688      9.80256404    -10.88761197
  H     13.99157484     11.13366478    -16.48140992
  O     15.67335684      7.35110354     -8.88847791
  H     18.94043775     11.22423062    -10.78302817
  H     16.31433179      9.12848883    -14.67220061
  O     13.32005920      6.82774563    -11.90516535
  H     17.77998285      9.44547068    -19.10363001
  H     15.20231001      8.09917738    -14.27309737
  O     15.68358383     10.43571293    -11.98178794
  H     16.54102587      8.86906667    -18.37160112
  H     18.39347145      6.76209744    -13.12857642
  O     14.92372671      8.25676253    -18.32299587
  H     12.48891654      9.90641681    -14.25737367
  H     17.00238265      7.40063187    -13.05582660
  O     15.55127075      5.49280835    -11.10014226
  H     11.42952828      8.78036451    -14.10579580
  H     10.09085179      7.28713737    -12.35815757
  O     16.98343444     10.39778196    -15.78292262
  H     15.43044467      7.27863940     -7.96901149
  H     11.63233583      7.37607612    -12.30620738
  O     15.25713205      5.97310044    -16.64298310
  H     15.03963354      7.96525262     -9.29660942
  H     18.92648333     10.27469526    -13.15186066
  O     17.98921881      6.92782790    -16.55223839
  H     13.53965750      7.62730449    -11.40698323
  H     19.35163203      9.14297365    -14.12175268
  O     14.47152714     11.66197371    -15.83541921
  H     14.00533044      6.18682114    -11.66390215
  H     19.07476106      7.10905752    -15.20685375
  O     15.97916227      8.57152785    -13.95590842
  H     15.78495367      9.76770054    -12.67824373
  H     20.50006768      6.87914516    -14.65171126
  O     17.58609172      6.77477666    -12.60121687
  H     16.57646843     10.69243886    -11.72651038
  H     17.31340715      7.95742034     -9.66651752
  O     10.82878975      7.85029481    -12.57792881
  H     14.94632208      7.43170652    -17.82228823
  H     17.95831481      7.66471876    -11.03310982
  O     19.09471247     10.07205998    -14.07996088
  H     14.16313059      8.75938206    -18.00671109
  H     12.05250282     10.18072504    -17.84437491
  O     19.64897817      7.24809385    -14.43181075
  H     16.29685146      5.77574334    -11.64700637
  H     12.39553746      9.59912228    -16.45738761
  O     18.03574085      8.22308465    -10.24647020
  H     15.65127018      5.96345450    -10.26300263
  H     13.18327846      9.49112625    -10.42255085
  O     12.76746470      9.81518022    -17.32769752
  H     17.78248377     10.41067648    -15.23285208
  H     14.68234911      9.53789101    -10.80933222
  O     14.02681534      9.03233789    -10.30585501
  H     17.22660554     10.04804167    -16.64827831
  H     13.71640416     11.52821736    -14.22022881
  O     13.37487697     11.20324042    -13.37251687
  H     15.05055665      5.05321494    -16.79104314
  H     14.15598055     11.05226080    -12.82381025
          69
 Energy    -249.09764322520499     
  O     18.18685267      5.51137499     -8.95124473
  H     18.20832755      5.63208258     -9.90506122
  H     14.97551026      6.72446223     -9.39466938
  O     16.64973104      4.74509040     -6.81374977
  H     19.08651814      5.52473493     -8.58783507
  H     20.19632689     10.67185018     -9.00944498
  O     17.12353223     13.43183068     -9.54074099
  H     17.16358063      4.85184915     -7.62886986
  H     20.15702661     12.18317690     -9.38350662
  O     14.39113504      6.31446394     -7.61476573
  H     15.80827075      5.17728419     -6.99530153
  H     20.36460393     10.48354146     -5.67202348
  O     15.81577088      9.67539251    -10.69186480
  H     18.01244248     13.51998345     -9.90780301
  H     20.93198474     10.93378763     -7.02926214
  O     19.69715659     13.25262849    -10.81226977
  H     17.23249017     13.02153482     -8.67421887
  H     18.43797371     10.60994057    -12.29092879
  O     21.97834486      8.06968895     -7.42657931
  H     13.47798014      6.08546576     -7.45946729
  H     17.45449638     11.80096258    -12.34370796
  O     18.64433924      5.36338832     -5.08339885
  H     14.61588782      7.00758470     -6.96947554
  H     18.04090104      8.09920744     -6.20349544
  O     15.85887110      9.97940629     -7.95690441
  H     15.64958339     10.55086130    -11.06308834
  H     18.23735186      7.17723339     -4.98689421
  O     18.38515105      8.88479365    -11.55693769
  H     16.71086115      9.42585154    -10.96266888
  H     16.68980094      6.38199007    -11.16203869
  O     15.74306139     12.31063460    -11.59488465
  H     20.19922725     13.89229741    -11.30949755
  H     17.33057457      5.60437496    -12.33841284
  O     15.29164354      6.92451346    -10.28346446
  H     19.29624651     12.64316052    -11.45816017
  H     17.81745233      7.22789029     -8.32361931
  O     20.20239709     11.56783049     -8.64205059
  H     21.69087230      8.85386380     -6.92668103
  H     17.13656896      8.63394630     -8.06474194
  O     21.12033091     10.37772983     -6.26066506
  H     22.93056494      8.04877499     -7.37514613
  H     18.62918792     11.74534673     -7.76088835
  O     18.38065694     11.55854500    -12.46649462
  H     17.89037515      5.10000976     -5.64291993
  H     18.00163037     11.56888596     -6.36432614
  O     17.97686632      8.07184006     -5.23557691
  H     18.75864980      4.67131414     -4.43782797
  H     19.95725996      5.58736385     -6.54075951
  O     17.53203298      6.19727234    -11.61947466
  H     16.48481337     10.68511800     -7.74201839
  H     20.96274656      6.46956221     -7.32177393
  O     17.95000306      8.12174292     -7.98070522
  H     15.74615849      9.96517157     -8.91649845
  H     18.50745465     10.94159843     -3.90308139
  O     17.80118747     11.84245204     -7.26732800
  H     18.16819970      7.95694180    -11.71293702
  H     18.39515378      9.74132891     -4.87117288
  O     20.41908942      5.67500926     -7.38340976
  H     19.08197326      8.89396882    -10.88562157
  H     15.27067913      8.98169861     -6.55506600
  O     18.64981387     10.67811463     -4.80870325
  H     16.15992058     12.74524011    -10.82888960
  H     16.02939627      8.15646726     -5.49795002
  O     15.16156347      8.27495292     -5.90052519
  H     15.09111028     12.91656596    -11.93578010
  H     20.89068330      8.55520460     -8.91955420
  O     20.12961078      8.90413754     -9.39685362
  H     15.25517041      7.88315177    -10.39691516
  H     19.35399879      8.65454613     -8.86670872
          69
 Ord_Energy   -249.097412    
 O  -0.646841049      -2.79199791     -0.661940098    
 H   -1.17562830      -3.37608218     -0.125363097    
 H   -1.08863044      -1.92253590     -0.650184274    
 O    6.02383089      0.963545442     -0.766926289    
 H    6.47889376       1.07015193       6.37400001E-02
 H    5.57258368       9.80799571E-02 -0.736223459    
 O  -0.555456758       2.15822911      -1.05271637    
 H    5.27866893E-02   2.91415644      -1.05114412    
 H  -0.859534979       2.08806634      -1.96504486    
 O    6.74109268      0.577885985      -3.44438982    
 H    7.68390131      0.621086657      -3.58589745    
 H    6.59239244      0.743753850      -2.49974108    
 O    4.79323626      -1.40199208     -0.952045143    
 H    4.78420830      -1.57279134      -1.90357029    
 H    3.95278049      -1.73327613     -0.613844991    
 O    2.47203398       3.27185941      -5.90890551    
 H    3.25625443       2.97157145      -5.43115473    
 H    2.22676277       2.55588222      -6.50744343    
 O   0.913244665     -0.124851540      -3.45701218    
 H    1.24880600       8.25788379E-02  -2.57467222    
 H   0.535384595      -1.01241779      -3.42084026    
 O    4.43384647       1.95208430      -4.37754822    
 H    3.91532564       1.19274938      -4.68521214    
 H    5.31520271       1.61040747      -4.18855667    
 O    1.74915648      0.588605940     -0.926422894    
 H    2.46363568       1.20352292      -1.13956392    
 H   0.939889252       1.10768616     -0.825043321    
 O   0.551854968       4.24771738      -4.28661013    
 H    1.25499773       3.94419718      -4.88780022    
 H   0.248830557       5.08912182      -4.61865950    
 O    3.73537874       2.38508749      -1.70180178    
 H    3.90196276       2.31297135      -2.65206528    
 H    4.52431011       2.03906369      -1.26844800    
 O    1.39104831       4.04245234      -1.54006445    
 H    2.25972867       3.62180853      -1.53351891    
 H    1.17926824       4.20375729      -2.46816325    
 O   -2.86244440      -9.77590680E-02  -3.39078236    
 H   -2.64221358     -0.750301063      -4.06521082    
 H   -2.36624599      0.695203364      -3.63150096    
 O  -0.772316933      0.499132782      -6.47328520    
 H  -0.947939217       1.09580803      -5.73648596    
 H   -1.10627019     -0.363014460      -6.19476938    
 O    1.70543969      0.971283734      -7.45497370    
 H    1.71227586      0.883172810      -8.40415287    
 H   0.794047773      0.791857004      -7.16143799    
 O  -0.904516220       1.88265753      -3.95598340    
 H  -0.228143871       1.19808197      -3.81842160    
 H  -0.453514129       2.72675610      -4.08800602    
 O   -3.85550484E-02  -2.76816964      -3.41389275    
 H   0.883939683      -3.06835508      -3.43041658    
 H  -0.344529718      -2.85925961      -2.50212169    
 O    2.59811306      -3.30042934      -3.02347207    
 H    2.50949693      -2.94918895      -2.12582183    
 H    3.42182875      -2.94010210      -3.36641669    
 O    4.85513973      -1.62836814      -3.78187680    
 H    4.20116234      -1.22088265      -4.36948156    
 H    5.60614443      -1.02455986      -3.77779198    
 O    2.10902190      -2.09989548     -0.482781172    
 H    2.00303864      -1.13806832     -0.554621220    
 H    1.21406126      -2.44867754     -0.397921532    
 O   -1.77210522      -1.92648709      -5.35717773    
 H   -1.15484607      -2.31122804      -4.71218729    
 H   -2.22856069      -2.65680599      -5.76777315    
 O    2.96802926     -0.223287672      -5.25814915    
 H    2.61944723       6.43944591E-02  -6.11005545    
 H    2.22424603     -0.213098630      -4.63634062    
 O   -1.85701525     -0.401968181     -0.820080817    
 H   -1.50243914      0.477383941     -0.653796077    
 H   -2.31546712     -0.347645164      -1.67232656    
          69
 Energy    -249.09716315353307     
  O     -2.16949486      3.52729248      3.70744253
  H     -2.91455371      4.06321556      4.00578770
  H     -3.14303221      1.86513817     -1.34598811
  O      0.94960416      4.14322327      1.29539699
  H     -2.08543543      3.68343715      2.75557953
  H     -7.50004907      4.50588596      0.52369886
  O     -0.93386034     -0.58074339      2.96011652
  H      1.59856091      4.83421859      1.19173213
  H     -6.00029942      4.32140828      0.84377030
  O     -4.24331872     -1.17856218     -1.58309809
  H      0.90067245      3.94354425      2.24836664
  H      1.37014354      2.27883396      0.95934979
  O     -2.06492486     -2.35490849     -0.54182546
  H     -0.90325984     -0.33901635      2.02257870
  H      0.80808350      0.87295474      0.62663081
  O     -4.22169606      1.53486503      1.63236415
  H     -0.10280207     -0.27329015      3.34126922
  H     -4.95699524      5.37979687      4.91039240
  O     -6.15874799      2.88820752      3.31354195
  H     -4.87129416     -1.02768259     -0.86295626
  H     -5.17944128      4.16983844      3.96962608
  O     -2.99803159      0.89214851      4.03964904
  H     -4.23131545     -0.36108215     -2.09314351
  H     -2.04958074      3.42184284      0.35242052
  O     -4.37723967      1.47124992     -2.67614438
  H     -1.80707087     -3.10628745     -1.06853686
  H     -0.88766607      4.23925017      0.97900353
  O     -5.89571295     -0.42829397      0.55866211
  H     -2.84690360     -1.96217175     -0.97143071
  H     -4.49942065      5.23269986      2.27623998
  O     -5.63312532     -2.13313888      2.76618238
  H     -3.74467148      1.16330633      2.38691238
  H     -3.58288184      4.88566990      1.09058539
  O     -2.63145839      1.96689346     -0.53522577
  H     -4.82180023      2.18211334      2.01702051
  H     -4.80795731      0.48185134      4.36800666
  O     -6.83894916      3.84393000      0.71237374
  H     -6.68764716      3.01554606      2.51909042
  H     -5.83096023     -0.51343033      3.80380815
  O      1.55353610      1.33486765      1.03495419
  H     -6.19699468      1.96495270      3.60905200
  H     -0.32771894      3.43719469      4.00451585
  O     -4.56927052      4.89872022      4.18460159
  H     -2.67615661      1.80475161      4.03870504
  H      0.88300898      2.46655149      3.97347272
  O     -1.84747053      4.13842790      0.97114821
  H     -2.25748639      0.33195272      3.77106859
  H      1.61044855      0.86942184      2.71820634
  O     -4.49386711      5.10984453      1.31904048
  H     -5.20892581      1.60905868     -2.18651007
  H      2.32940037      0.32523462      3.97752124
  O     -5.75790561      0.34021073      4.24515182
  H     -4.52756939      1.77388881     -3.56715895
  H     -2.27294567     -1.88865580      2.60114082
  O      0.63102460      3.39368824      3.88522150
  H     -5.98858427     -1.09615630      1.24770868
  H     -2.71370351     -2.46744999      1.24972635
  O      1.49302286      0.65791323      3.66302175
  H     -5.30207592      0.24114948      0.93047412
  H     -1.40268934      0.71313121     -0.09613156
  O     -2.98846632     -2.37131833      2.16968303
  H     -5.95358233     -2.97952381      3.06586752
  H     -1.12321315     -0.81375458     -0.10709458
  O     -0.79779195      0.03128166      0.22761638
  H     -4.68087992     -2.24202060      2.59114768
  H     -6.69560529      2.44832124     -0.52749715
  O     -6.58560350      1.70409536     -1.13204581
  H     -3.23936815      1.80479017      0.20486980
  H     -6.56225920      0.90994783     -0.58101764
          69
 Energy    -249.09682491489258     
  O     19.58351093     12.52683191    -19.58252649
  H     19.00308429     13.29019340    -19.75418669
  H     17.18370306     14.46957689    -19.21300945
  O     17.51698024     17.89280966    -14.26120074
  H     19.58605048     12.00027257    -20.37768964
  H     21.65683405     16.67589237    -17.02242267
  O     22.47893703     12.58924258    -15.67209922
  H     17.32190402     17.54128660    -15.14031890
  H     20.42735476     15.76172248    -16.86080301
  O     15.83702078     13.91690533    -13.89711629
  H     18.47848423     17.90034362    -14.16730028
  H     22.76061623     14.17968636    -14.70251605
  O     16.26398487     14.08818835    -17.62392837
  H     23.10911926     11.87741619    -15.74306636
  H     22.31974518     15.06877668    -13.50328389
  O     16.63451975      9.89443564    -13.55339508
  H     22.28587814     12.88865251    -16.57949577
  H     17.50551198     11.38256050    -13.07419159
  O     14.29404352     13.10191073    -15.92824863
  H     15.97599581     14.73199115    -13.40319907
  H     18.60067955     12.28656583    -13.70922103
  O     21.80184425     13.52032098    -18.11762020
  H     16.52331667     13.30423816    -13.60180952
  H     16.63914757     11.02304306    -16.53924763
  O     22.65146312     17.38089641    -15.60822001
  H     15.46006612     13.81476345    -17.16510779
  H     15.23410753     11.42021450    -16.05183745
  O     16.50376845     16.22765768    -12.37573194
  H     16.91583257     13.39391290    -17.44652904
  H     17.66516546     16.87546063    -17.50870719
  O     19.73177253     12.62925247    -15.08300978
  H     16.32908616     10.11037543    -14.45097179
  H     16.74421047     15.72973479    -17.01103744
  O     17.89199570     14.62624906    -19.85295146
  H     16.34107138      9.00432913    -13.38221512
  H     21.58014234     15.66643237    -11.17828379
  O     21.00577700     16.17013022    -17.52416348
  H     13.37489548     13.18831946    -15.69378116
  H     20.32392218     15.16115593    -11.92160847
  O     22.87323057     15.04629030    -14.29426130
  H     14.81313378     13.41311071    -15.16170085
  H     20.62566175     16.91213977    -13.19763874
  O     17.93365623     12.24782431    -13.00932340
  H     21.09074409     13.14430010    -18.65101526
  H     21.08415468     17.59987410    -14.50887213
  O     15.86500651     10.69068579    -16.06588754
  H     21.61627861     14.46527571    -18.04815975
  H     17.98401994     15.16325913    -11.87546664
  O     17.18876246     16.54520221    -16.73696527
  H     22.81523681     16.53229893    -15.15398833
  H     18.47547892     13.70940930    -12.05791426
  O     21.20142445     15.56734620    -12.04764964
  H     23.46576901     17.87471274    -15.57405356
  H     18.62656588     12.04609603    -18.02582928
  O     20.31378278     17.42988226    -13.95307285
  H     16.83342830     16.86423869    -13.03352733
  H     18.67870536     12.15018310    -16.47556463
  O     18.74008905     14.58139352    -11.73378523
  H     15.93499183     16.71366220    -11.78472106
  H     19.64915900     15.95278794    -14.86728664
  O     18.08695595     12.00924115    -17.22789822
  H     19.58193959     13.58287436    -15.18599051
  H     18.50431444     15.62610971    -15.85783106
  O     19.33712606     15.29248846    -15.49886896
  H     20.67737268     12.48465669    -15.19781683
  H     19.70157749     16.86785870    -18.52587191
  O     18.87864058     17.15579650    -18.95555228
  H     18.21623356     15.51688451    -19.67602388
  H     19.07785483     17.96038616    -19.42740321
          69
 Energy    -249.09678951914697     
  O     11.47410250      9.81579843    -13.56323780
  H     11.69280732     10.66800220    -13.16867913
  H     13.46524852     13.09595760    -15.54164166
  O     17.32009774     10.89279691    -11.36055675
  H     11.78909135      9.85658496    -14.47681690
  H     15.86615292      9.76575963    -14.62127192
  O     16.35390248     14.08373931    -14.76096148
  H     16.35399651     10.94264551    -11.40158050
  H     14.81612141      8.68578887    -14.20997925
  O     14.19662943      7.58104786    -16.82812818
  H     17.56765800     10.62513819    -10.46732159
  H     11.32041625      6.97322219    -12.24261624
  O     16.16117609      7.82947415     -8.68377453
  H     16.78406317     14.93394353    -14.79553406
  H     11.84361729      8.32458636    -12.78582584
  O     16.18449059      6.76919030    -12.08718117
  H     16.96204115     13.48148023    -14.29556493
  H     19.19148505      8.09343312    -11.40182331
  O     14.59426872     10.78630922    -11.78371641
  H     14.20179039      7.14981324    -15.96274894
  H     19.11473304      8.52830847     -9.92647822
  O     16.24561726     12.09538938    -16.80535690
  H     13.62226430      8.35033351    -16.72518722
  H     13.49771326      6.99567154    -13.56548078
  O     17.70907585      5.75992720     -9.95737383
  H     15.39464316      7.96038416     -9.25809865
  H     15.01019374      6.65458868    -13.49099091
  O     17.58224431      9.90115018    -15.33326305
  H     16.59674352      7.02506458     -8.99168196
  H     17.85262015     11.88001318    -12.81864577
  O     16.81894205      8.22255958    -17.31193709
  H     15.54257173      7.30047961    -11.59241181
  H     18.01390698     11.49914067    -14.30662072
  O     13.60147281     13.41015761    -14.64048702
  H     16.67827483      6.25945721    -11.43385833
  H     17.43283845      7.99061554    -12.71100329
  O     14.99773005      9.63578310    -14.22296142
  H     14.73092749     10.41163990    -12.66972670
  H     17.82604683      9.45176487    -12.37097446
  O     12.11576895      7.47992597    -12.38224003
  H     13.84340640     11.38538592    -11.86198320
  H     17.33968028      9.11537397     -8.75207869
  O     19.41048357      7.81326648    -10.50405962
  H     16.35706526     12.82308385    -16.17881951
  H     18.27033567     10.12872373     -8.04180107
  O     14.29954333      6.90600806    -14.09703368
  H     16.74802269     11.35693550    -16.44786000
  H     13.43659304     12.71245761    -18.15917607
  O     18.00364027     12.24849579    -13.69957839
  H     18.40522475      6.42068898    -10.12506716
  H     14.54959040     12.19222004    -17.21833323
  O     18.08447839      8.68059125    -12.89779554
  H     18.14715269      4.95827869     -9.68601989
  H     13.45424720      7.93212293    -11.14605359
  O     18.04314071      9.77347000     -8.89678041
  H     17.89966618      9.38653105    -14.57600232
  H     14.35009348      9.18104036    -10.98140039
  O     13.58758891     12.32163399    -17.30308305
  H     17.41473669      9.27984065    -16.06062163
  H     12.79132571     12.73919660    -13.27567638
  O     14.25227429      8.25670572    -10.71085931
  H     17.10186116      7.82487877    -18.13070070
  H     11.81899152     12.99385089    -12.09975564
  O     12.37140191     12.32710247    -12.49832711
  H     15.88553102      7.97605421    -17.20040680
  H     13.62409670      9.95546746    -15.38110499
  O     12.86649663      9.96544440    -15.98675788
  H     14.52508339     13.68882766    -14.59643594
  H     12.97899092     10.75041289    -16.53606801
          69
 Energy    -249.09624349731740     
  O     13.14668819     13.24864431    -14.19382223
  H     12.85874244     12.87794007    -13.34046359
  H     18.46213460     12.06954946    -14.66038524
  O     19.88807482      7.07932183    -11.36382559
  H     12.55089334     13.96581745    -14.39435462
  H     14.12877006      8.41906976    -15.14003920
  O     17.83377490     10.64425116    -11.55742321
  H     19.47603295      6.35651041    -11.85387383
  H     12.90024210      7.91123826    -15.93369260
  O     12.75186839      9.45564304    -12.72307564
  H     19.18753815      7.46116795    -10.82219128
  H     14.39578762     10.25770199    -12.71577720
  O     16.26998091      6.72149018    -12.30442754
  H     16.99430063     10.46976864    -12.00738025
  H     15.41875264     11.43885063    -12.97970042
  O     13.86460927      7.59448055    -11.06477616
  H     17.70788160     11.49742931    -11.11690576
  H     13.71234480     11.93695729    -15.45164139
  O     18.52295261      5.26683141    -13.12233817
  H     13.03491809      8.74137511    -12.12949324
  H     13.65836207     10.44295692    -15.86807363
  O     18.00403631      9.15671684    -15.88331465
  H     12.71005395      9.10386379    -13.61916203
  H     16.06870199      8.60688802     -9.22864278
  O     17.49028895      8.23169790    -10.27917952
  H     16.96539241      6.09771592    -12.54751835
  H     15.25303704      8.50641191     -7.92119825
  O     16.57201352     11.21172334    -17.15444768
  H     16.09378814      7.24981710    -13.09581010
  H     22.13269965      8.48520295    -13.13328630
  O     19.51723786      6.93497156    -15.01783424
  H     14.18851659      7.96784430    -10.23663471
  H     20.77574959      8.03611831    -12.54131996
  O     17.79241476     12.66762723    -15.01444652
  H     14.61795472      7.13611828    -11.45890293
  H     14.96529558     13.41820667    -13.65372044
  O     13.21063256      8.62712016    -15.38525419
  H     18.84632114      5.81114222    -13.86308485
  H     16.49242425     13.11206067    -13.89919728
  O     15.32997562     10.50978389    -12.71784475
  H     18.72384282      4.36010483    -13.33744021
  H     16.06813234     12.63345893    -10.13957471
  O     14.09108823     11.28430178    -16.05264404
  H     17.56730820      9.80472924    -16.45032918
  H     16.50700421     13.27139766    -11.46586411
  O     15.21226187      8.81923328     -8.82170390
  H     18.47710848      9.65702739    -15.20022184
  H     18.87790290     10.60925970    -13.02806982
  O     21.19278476      8.49331372    -13.29338021
  H     17.06595007      7.71295690    -10.97926535
  H     20.08767598      9.94386329    -13.71554659
  O     15.79453753     13.17492501    -13.22787559
  H     17.71507165      9.09541060    -10.65730556
  H     13.03011283     12.01419203    -11.05867941
  O     16.83292901     13.00919271    -10.59294949
  H     16.50455653     11.52708440    -18.05191891
  H     12.32979888     11.13963438    -12.10774820
  O     19.34358585     10.53775461    -13.87399703
  H     15.67499943     11.24586969    -16.77713252
  H     14.70725437     10.55656731     -9.45573329
  O     12.46813123     12.06042691    -11.84073074
  H     18.99007498      7.59518731    -15.48514018
  H     14.90190077     11.06914528    -10.88172886
  O     14.57642572     11.33407053    -10.01202369
  H     20.19731456      7.43231552    -14.54552670
  H     16.55891691      8.57132985    -15.00706852
  O     15.78147299      8.40754686    -14.45704182
  H     17.44192456     12.24184141    -15.80616697
  H     15.67294456      9.18651890    -13.89160639
          69
 Energy    -249.09563561897738     
  O     17.35218869      9.96532433    -15.39517798
  H     17.42664453      9.91910795    -14.42650689
  H     16.56654254      4.98021533    -13.70613395
  O     19.11363833     12.11325859    -15.74123245
  H     17.87784969     10.72603867    -15.66845572
  H     16.15352766      8.20052670    -10.63324888
  O     14.59832294      9.64907967    -15.11005143
  H     19.49887752     12.59749370    -16.46646452
  H     15.17508983      7.86339256    -11.82995741
  O     18.37213657      7.39690192    -15.37492198
  H     19.83683828     11.61139493    -15.32055208
  H     16.57405881      5.42728435    -17.69738603
  O     20.94659352      7.88004431    -14.53085844
  H     14.26307673     10.50264956    -14.80719176
  H     15.75541160      6.33040538    -16.74393114
  O     17.81503089      6.12467592    -12.86400136
  H     15.53796670      9.77507052    -15.30282805
  H     21.28663947     12.45679583    -11.40034279
  O     13.05072036     10.50752835    -11.55699623
  H     17.84221841      6.81999615    -15.93928757
  H     19.95827370     12.38308168    -12.18998293
  O     18.70946331     13.19277952    -13.09437798
  H     18.01550116      8.29142064    -15.47320995
  H     14.29498974      8.06424402    -16.06906068
  O     13.89021093     12.07493879    -13.87977210
  H     21.57241106      7.32367035    -14.98859692
  H     13.81442108      6.64460962    -15.70110135
  O     16.17230127     12.26903943    -12.36392371
  H     20.06826013      7.66418554    -14.88673611
  H     18.16140052      9.85215486    -12.09324825
  O     15.11761267     11.52612088     -9.96875070
  H     17.97320279      6.61684987    -13.68135092
  H     16.86189894      9.08740053    -12.38677189
  O     15.89090517      4.62933619    -14.30096382
  H     17.18109125      6.63525596    -12.33685568
  H     20.99824607     10.98691679    -13.46919308
  O     16.06568816      7.73522060    -11.47400035
  H     13.14419201      9.61391820    -11.91068810
  H     21.03039841      9.74895280    -14.40902300
  O     16.58239936      5.82168704    -16.82956779
  H     13.14767886     11.08801329    -12.32062030
  H     19.82113443     10.45190289    -10.88663203
  O     20.65628532     11.84562364    -11.77286141
  H     17.79597518     13.04767370    -12.81353876
  H     19.64461448      8.89320532    -10.95523350
  O     14.26496083      7.15258178    -16.38730042
  H     18.75093460     12.95010589    -14.02703560
  H     13.51345324      7.24757237    -13.23821563
  O     17.42130246      9.80545949    -12.71010144
  H     13.54302734     12.92978236    -14.12133499
  H     14.06057634      8.63508603    -13.66111067
  O     20.98826258     10.71272527    -14.39392816
  H     14.70914899     12.23575127    -13.38019661
  H     20.55420594      7.58834920    -12.67306386
  O     19.25754185      9.71682167    -10.61550218
  H     15.81813509     12.19022458    -11.46452277
  H     19.38163695      6.84576586    -12.02752713
  O     13.75535758      8.11913456    -12.90095103
  H     16.59744293     11.41807587    -12.54246962
  H     17.02674322      9.07169993     -8.35943210
  O     20.12208563      7.43242157    -11.82512882
  H     14.33536785     11.13045590    -10.38312750
  H     17.73533642      9.49533498     -9.66419442
  O     16.86636144      9.31164382     -9.26914958
  H     15.66007810     10.79648051     -9.65015127
  H     14.25322759      5.21682036    -14.11814304
  O     13.37121634      5.63020134    -14.12350795
  H     16.17753350      4.86882819    -15.19056925
  H     12.73535097      4.92603072    -14.03152006
          69
 Energy    -249.09549477920649     
  O     -0.37034146     -0.32260267      2.43166311
  H     -1.29498626     -0.56008996      2.60447840
  H      0.97481905      4.62504293      1.37127366
  O      1.61591583     -1.36552880      5.81085340
  H     -0.40861638      0.38684457      1.77934811
  H     -2.16705093      5.27024084      5.71997355
  O     -5.74941554     -2.74950870      3.63136999
  H      1.25691932     -1.95401451      5.12960841
  H     -2.17418613      4.53102406      4.36136501
  O     -4.55490549     -1.91918714      1.19014090
  H      1.77685603     -1.91578383      6.57372191
  H     -2.21515155      2.68100419      5.83805081
  O     -2.33864891     -2.96312784     -0.21579678
  H     -5.12926655     -3.45226135      3.86446769
  H     -1.44995182      1.35424795      5.61007419
  O     -1.01266600      1.75653527      0.71544618
  H     -5.54232215     -2.52372621      2.71586843
  H     -2.92239612      3.92433500      2.19522377
  O     -2.15039044     -0.31118438     -0.84331538
  H     -3.97017868     -2.44548056      0.63180921
  H     -1.51193362      4.54418262      2.20837258
  O      0.15434044     -2.70251573      3.80149846
  H     -3.98209700     -1.57308306      1.89580653
  H     -0.15513247      3.90931777      4.76608096
  O     -2.18068358     -2.53244924      5.29743343
  H     -2.16970612     -3.45786617     -1.01381232
  H      0.58596994      2.57581218      4.56793952
  O     -3.68302255     -4.62823872      4.16333431
  H     -2.16326900     -2.02996731     -0.42988936
  H     -2.73161535     -1.48928109      3.89699647
  O     -3.64558337      2.30060509      1.57646166
  H     -0.48171958      2.53429647      0.92587383
  H     -3.38480967     -0.13570317      3.47398003
  O      0.27947655      4.05233399      1.68277802
  H     -1.90553636      1.94236915      1.04122469
  H     -4.87406398     -0.38904170      0.30330659
  O     -1.94251482      4.44262143      5.30334940
  H     -3.05848059      0.00981516     -0.79191818
  H     -5.65637463      0.46697986     -0.71975492
  O     -2.29950750      1.72074359      5.89760240
  H     -1.61124615      0.37949228     -0.43755456
  H     -4.38348293     -0.65979641      6.42524015
  O     -2.38263202      4.60271706      2.62101526
  H     -0.60439033     -2.63965153      4.40497177
  H     -3.10021951      0.16517728      6.67884762
  O      0.59959290      3.50977012      4.31764222
  H      0.12453669     -1.91999901      3.23115661
  H     -6.83627793     -0.58674767      5.66202322
  O     -2.93535681     -0.92258369      3.14128946
  H     -2.60752828     -1.96521009      5.95684933
  H     -5.90697555     -1.37834648      4.71479951
  O     -4.86452920      0.44945722     -0.18813335
  H     -2.74790495     -3.29401267      5.12462907
  H     -0.98376472     -3.81948792      2.69973158
  O     -3.50523841     -0.70020608      6.82304968
  H     -3.02894851     -4.53880017      3.44594720
  H     -1.88257354     -3.79175799      1.43875341
  O     -5.95640456     -0.59792007      5.29441650
  H     -3.73100652     -5.55644321      4.37608187
  H      0.69936295      0.16010010      5.36652137
  O     -1.75753111     -4.22653527      2.29045557
  H     -3.94081285      2.00393097      2.45012777
  H     -0.01550188      0.47930376      4.03315079
  O      0.14132263      0.81475090      4.92666693
  H     -4.13790545      1.78081800      0.93027667
  H     -3.64453300      1.51080426      4.73207357
  O     -4.31204436      1.30403443      4.06043191
  H      0.48045421      3.84665106      2.61384519
  H     -4.99278970      0.76139666      4.47890999
          69
 Energy    -249.09515169433172     
  O     11.64635248     10.82331102    -14.17338513
  H     12.35010355     10.41790578    -14.70025406
  H     18.81408719      8.57229336    -14.89668867
  O     18.25996493     10.15624023    -10.69185834
  H     11.97730922     11.68936528    -13.91256234
  H     14.74726243     12.72652910    -16.10145183
  O     17.25138809     11.93946626    -14.47273063
  H     18.67207231     10.72329778    -11.35474074
  H     15.77235269     12.93488216    -14.97293291
  O     13.01294502      7.07216726    -16.44538534
  H     17.53282983     10.64707596    -10.28975514
  H     15.05086171      9.61064277    -14.25570458
  O     14.89006044      8.47332914     -9.28422072
  H     16.70662291     11.20794510    -14.14161121
  H     16.12614370      9.15269642    -13.18187268
  O     14.18784558      6.79639771    -12.56944475
  H     18.07790747     11.90047266    -13.97855730
  H     10.88482389      9.57964913    -13.27371691
  O     14.26526603     11.39292382    -11.73368916
  H     12.50605975      6.87191767    -15.63667961
  H      9.64325627      8.98599125    -12.56003568
  O     17.19577108     10.65463072    -16.98341743
  H     12.57505334      6.62529325    -17.16361058
  H     16.94417325      7.38587057    -11.64274150
  O     15.97267341      6.28134369    -10.45879368
  H     14.10393711      8.59919114     -9.83460899
  H     17.64625196      8.77125646    -11.57753008
  O     17.68516224      7.95440225    -16.30000682
  H     15.31687879      9.33598808     -9.24087847
  H     11.29715392      7.31513898    -13.64221057
  O     15.51131885      6.83943799    -15.09692847
  H     14.74738168      6.41132253    -11.88481910
  H     12.60695923      6.51006970    -13.51124764
  O     19.21178554      8.82197603    -14.05539003
  H     13.81714134      7.60157659    -12.18083233
  H     19.50772748     10.41732529    -13.41524467
  O     14.89884178     13.21245911    -15.28270141
  H     13.79945558     12.08790033    -12.21234585
  H     20.46916991     11.56235117    -13.02002677
  O     15.63844840      9.90214478    -13.54682132
  H     14.78265452     10.89352119    -12.38654800
  H     15.70484367     11.88406168     -8.89987909
  O     10.56637820      8.82956360    -12.73732177
  H     17.37122680      9.72340611    -16.79899829
  H     15.28989335     11.35452564    -10.29178428
  O     17.30567898      8.09328157    -12.18490748
  H     17.37070204     11.13398015    -16.16215177
  H     14.56781293     11.65325784    -18.45309728
  O     11.82388729      6.62794084    -14.06761202
  H     15.62691843      7.03459690     -9.94544340
  H     15.61974445     11.15425545    -17.43006149
  O     19.55244043     11.30121883    -13.00453498
  H     16.26525442      5.62798225     -9.83028311
  H     13.28946826      9.84500456    -11.44294187
  O     15.88250680     11.19705341     -9.53726807
  H     16.92659330      7.56065669    -15.83466014
  H     12.06685600      8.90483053    -11.63514845
  O     14.69171154     11.43747979    -17.53349461
  H     18.03901083      7.27128290    -16.86424365
  H     12.63332447     14.12090611    -13.30828750
  O     12.95065824      8.95967253    -11.25263405
  H     14.73008821      6.80935707    -15.66224724
  H     13.65783891     13.26826750    -14.09273251
  O     12.97157160     13.23483504    -13.40089765
  H     15.17385705      6.80985968    -14.19304197
  H     13.48132394      8.80185022    -15.98699731
  O     13.72464964      9.65527131    -15.60771870
  H     18.63659539      8.42586561    -13.38425498
  H     14.00657908     10.23355849    -16.32868962
          69
 Ord_Energy   -249.094910    
 O    8.24263859       1.98725677       8.67178726    
 H    7.41476631       1.63566005       9.04383373    
 H    8.86075592       2.04809833       9.39547634    
 O    2.31525850       5.26341677       6.51066494    
 H    2.04167461       4.43420219       6.92170095    
 H    3.26426840       5.35451937       6.66725111    
 O    5.18341923       5.01482105       6.66083622    
 H    6.14525270       4.99623823       6.76383924    
 H    4.87515688       4.26278496       7.18871832    
 O    1.73624456       2.48570561       7.16528797    
 H    1.65815270       1.59517229       7.53055906    
 H    1.71783423       2.37875676       6.20302010    
 O    9.09368515       3.17607474       4.69389534    
 H    9.92709255       3.49918938       4.36225367    
 H    8.43392658       3.33612561       3.99548912    
 O    1.93466890     -0.585185409       5.08395100    
 H    1.70257592      0.291468292       4.75548887    
 H    1.84750307     -0.540305614       6.04370308    
 O    8.29570484      0.914156914       6.10748625    
 H    8.35208225       1.21140492       7.02654076    
 H    8.62417030       1.63753259       5.55681515    
 O    5.86272764       1.04433441       9.56757259    
 H    5.50155115      0.232321322       9.19142342    
 H    5.28709793       1.74666023       9.23079681    
 O    3.90255189      -2.19477248       4.09982157    
 H    3.21727943      -1.59544313       4.44128942    
 H    3.44124007      -2.88574100       3.62987661    
 O    5.59000254      -2.88770700       6.32249498    
 H    6.45135498      -2.55871534       6.03787231    
 H    4.99517870      -2.73701096       5.57619429    
 O    8.02927494      -1.70064485       5.30684996    
 H    8.18050766     -0.794199884       5.62160397    
 H    8.87760925      -2.13752580       5.31363153    
 O    1.91418791     -0.245974168       7.92936707    
 H    2.85466290     -0.487261415       7.98957300    
 H    1.45703340     -0.758755028       8.59111309    
 O    4.58165026     -0.859616399       7.86977196    
 H    4.90085793      -1.69760120       7.50876856    
 H    4.86183119     -0.190608084       7.22622395    
 O    6.21683979       1.13775134       1.65796566    
 H    6.13378048      0.917745888      0.734121263    
 H    6.33716631      0.297387123       2.13765574    
 O    1.97792053       4.98168373       3.83899069    
 H    1.42688286       5.66000080       3.45813775    
 H    2.02887940       5.16522026       4.79511356    
 O    6.32208824      -1.11534929       3.10557222    
 H    6.95733881      -1.34344614       3.79380155    
 H    5.46904182      -1.45758057       3.40334821    
 O    5.47951317       1.04840064       6.08191776    
 H    6.44064093       1.03691328       6.00792313    
 H    5.11103630       1.21535349       5.20527840    
 O    4.79915237       4.53486204       3.95015144    
 H    4.96958399       4.73794699       4.88227177    
 H    3.88797855       4.79353905       3.76748180    
 O    4.39270067       1.82681072       3.66654468    
 H    4.90524435       1.53600430       2.90415120    
 H    4.57245731       2.77274156       3.78295445    
 O    7.21012688       3.56141543       2.81396604    
 H    6.41487694       4.02556610       3.10631299    
 H    6.91756487       2.76386786       2.35548639    
 O    4.37445927       2.74035048       7.95265245    
 H    4.81252670       2.19230700       7.28217363    
 H    3.42698884       2.66848135       7.77968740    
 O    1.77391517       2.16955161       4.36880255    
 H    2.67692780       1.94720805       4.09094763    
 H    1.64183319       3.08039045       4.08201742    
 O    7.85335970       4.37251997       7.00632572    
 H    8.30866241       4.06588650       6.21328974    
 H    7.95037031       3.66083384       7.64931440    
          69
 Energy    -249.09480147647611     
  O     16.79919964      9.88948883    -17.00226862
  H     17.22846590      9.32226693    -16.34302614
  H     17.43688450      5.77749394    -17.16325406
  O     15.66411048      5.34115598    -14.34392116
  H     16.40227416     10.61307767    -16.50437436
  H     17.15759018      5.25984948    -11.27434779
  O     17.76885422     13.70067927    -12.28403678
  H     16.36605370      5.30851533    -15.00972183
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  H     19.86727944     11.00614507    -14.90465158
  O     16.85288853      6.24490082    -18.84173152
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  H     21.30869786     11.18596363    -15.42284499
  O     15.40359602     11.22161454    -10.65600006
  H     16.81638199     13.63916557    -12.43441021
  H     18.50973328      8.25710406    -14.46276025
  O     15.22010315      8.89676111    -14.06359531
  H     20.46983010      9.17770605    -13.94216237
  H     17.71387828      7.31031592    -15.40653596
  O     18.43676499     11.74763957    -14.09189941
  H     19.64824397      9.07885156    -12.63254666
  H     15.75818003      8.73655442    -12.37577696
  O     19.58700026      5.86273315    -13.17680367
  H     16.54482486      5.79058930    -19.62066383
  H     16.54062902      7.69028851    -11.55818578
  O     13.72339166      6.92755803    -15.33384766
  H     16.10989204      6.78697546    -18.51694110
  H     14.49604382      7.55725607    -16.95981871
  O     20.43514737      5.54460140    -15.91214286
  H     16.20484968     11.55469953    -10.23174547
  H     15.48016060      8.62845076    -17.50561473
  O     17.68007764      5.65922434    -16.23585014
  H     15.55872786     10.28303497    -10.81628000
  H     18.31573193     11.40391326    -10.46814682
  O     17.15839779      5.93886341    -11.94529717
  H     14.56666709      8.30371116    -14.45260148
  H     18.57576915     12.10020404     -9.11171807
  O     20.64889095     10.52565327    -15.22464426
  H     16.09121855      8.58564876    -14.36137752
  H     17.72126483      9.62387703    -11.67577358
  O     17.70340708      8.17897328    -14.98218948
  H     18.35916470     12.53527212    -13.53239198
  H     18.42507724     10.70422897    -12.56557654
  O     16.23733359      8.60649194    -11.54298740
  H     17.56329534     11.60817209    -14.48124538
  H     14.22006173     13.54291094    -12.49066550
  O     14.98020193      7.83669209    -17.74538361
  H     19.88734655      6.78230676    -13.11794565
  H     15.06468086     12.36108105    -11.96027531
  O     18.01725083     12.12279724     -9.88424363
  H     19.88705621      5.56821630    -14.04326626
  H     20.66933011      8.92227896    -16.34715542
  O     18.50870909     10.18274131    -11.75374705
  H     14.36994346      6.29210543    -14.97392873
  H     19.98046539      8.22441066    -17.53490264
  O     15.00068703     13.02504808    -12.66950331
  H     12.86317667      6.52557121    -15.25277583
  H     15.47569793     10.59608183    -14.60028417
  O     20.61941008      8.08564984    -16.81890964
  H     21.16233532      5.04060932    -16.26632097
  H     15.44110949     12.09795581    -14.24316385
  O     15.77605801     11.46974973    -14.89447233
  H     20.55874068      6.46343696    -16.21489675
  H     18.09432207      7.72865959    -18.86865933
  O     18.62464401      8.51200270    -18.68122657
  H     18.63021544      5.48874714    -16.19764603
  H     18.01745118      9.14443155    -18.27531177
          69
 Energy    -249.09463596265545     
  O     13.69999710      7.48467130    -16.02453137
  H     13.56657831      7.60742887    -16.96167160
  H     10.35980885      5.20180170    -10.89867105
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  O     15.27096102      5.79396797    -10.13645719
  H     11.66474877      8.83460655     -9.47661654
  H     17.13277113      6.65148367    -13.81594697
  O     14.28420915      2.06386428    -11.35370130
  H     10.74717736      8.01809726    -10.39405136
  H     13.54226214      7.41562667    -12.23334412
  O     12.76334853      8.43224552     -7.96197692
  H     15.52873408      5.23742173    -10.88410745
  H     14.73856610      7.06859103    -11.30136076
  O     12.28017905     10.25983331    -12.40160638
  H     16.05133027      6.22852008     -9.76835900
  H     10.89946775      9.30219057    -14.98712134
  O     15.63323605      4.27559637    -12.44141137
  H     13.69696258      2.41203257    -10.65884814
  H     11.95365127      9.47143533    -13.87049209
  O     12.26247410      2.83534670    -13.23132589
  H     14.57046009      1.20151269    -11.06490364
  H     17.72104090      7.68523408     -9.96792155
  O     14.95254941     10.30880005    -11.42610264
  H     12.57401668      8.83023315     -7.11649236
  H     18.01327963      7.27454232     -8.50394277
  O     12.47074989      3.06919799     -9.59610905
  H     13.63824435      8.76137211     -8.23624798
  H     16.77123887      9.44917717    -13.70429971
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  H     13.16213978     10.49558351    -12.09239948
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  H     11.83039080      9.84434384    -11.64970159
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  H     13.69057309      5.75787597     -9.33025830
  O     14.43945156      7.67427333    -11.98998632
  H     15.00794247      4.56317815    -13.12146047
  H     15.92961273      8.70994036     -8.86182381
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  H     15.14713662      9.80050509     -9.63329982
  O     17.30665396      7.41120247     -9.12875439
  H     12.95922713      2.44921975    -12.68538969
  H     18.05858404      8.86161693    -11.99981035
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  H     15.73671802     10.46917413    -11.96268804
  H     18.22347058      7.32788873    -12.10666993
  O     12.81181145      5.79079542     -8.92209491
  H     14.72202385      9.37636328    -11.57732761
  H     11.67447561      7.43482603    -13.44849619
  O     15.17446965      9.30661273     -8.80311988
  H     12.58813656      3.94304121     -9.20140482
  H     11.44539380      6.53697725    -12.17109117
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  H     11.64940076      3.11635877    -10.10050369
  H     15.23481704      7.87799185    -15.01584217
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  H     10.93413183      3.22852545    -12.14374581
  H     15.40198937      7.84307239    -13.48033670
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  H      9.54280733      2.83820579    -11.59401412
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  H     11.38106702      5.97628915    -10.02971212
  H     13.82326017      5.62851793    -15.07733682
          69
 Energy    -249.09456682983085     
  O     17.17446196      7.46236736    -14.12436648
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  H     11.61278172     12.05249169    -15.10443532
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  H     14.66777954     12.47371783    -12.75201679
          69
 Energy    -249.09450477330392     
  O     -4.30031524      0.44554573      3.53531064
  H     -3.87688147      1.29838524      3.69845385
  H     -6.90434428      3.06772992      0.93948041
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  H      0.82812890      1.30475749      1.89045810
  O     -2.24512750     -1.22304063      2.80989457
  H     -0.41679226      3.37211823      1.78001123
  H      0.29232106      0.01067691      1.22896970
  O     -4.22858532     -1.28494175     -2.49272740
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  H     -1.51026853     -1.11993925      3.42664207
  H     -2.79208620      4.22324729      1.09598950
  O     -3.06570097      2.91629543      3.69625211
  H     -4.99786840     -1.23794158     -1.90713453
  H     -2.16982036      2.96841276      0.40906315
  O     -3.95398496      1.31036907     -3.18272182
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  H     -0.42787233      1.25460105      4.68406056
  O      0.91599628      0.34347663      1.88921006
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  H     -0.14584910      2.56106753      3.92028800
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  H     -2.78012865      3.10331110      2.79202719
  H      0.46029020     -0.28734759      3.44395694
  O     -2.05583516      3.59486703      1.13683788
  H     -3.77848502      1.41587574     -4.11382748
  H      0.72198652     -1.07372375      4.75287567
  O     -4.38680914      5.02918308      1.26559296
  H     -4.01613258      0.35136559     -3.01523935
  H     -8.38661227      3.20705973      3.04145478
  O     -6.99610205      0.00446442      3.21700355
  H     -5.64588827     -0.18338049     -0.13477033
  H     -6.85329281      3.31128662      3.18215669
  O     -0.63178748      2.19747652      4.67224035
  H     -6.58128256     -1.38578319      0.03408723
  H     -3.46839959     -2.45489756      2.03560139
  O      0.05967491     -0.57061803      4.28706077
  H     -7.41909786     -2.89900591      2.00714965
  H     -4.91823561     -2.72021762      1.54125802
  O     -7.56596055      2.82463131      2.73758672
  H     -6.91679608     -1.46004840      2.25951716
  H     -1.59250228      0.21275275     -0.15541803
  O     -3.99354028     -2.94628288      1.39053211
  H     -3.29407582      1.35747607     -0.18970407
  H     -1.52240953     -1.33841704     -0.18758804
  O     -1.19937231     -0.55703234      0.27824087
  H     -2.90840260      1.63966420     -1.65841634
  H     -6.68051382      0.79979183     -1.61913445
  O     -6.57668260      1.69319095     -1.97358554
  H     -6.49504910      2.77995717     -0.55966744
  H     -5.74334265      1.68092996     -2.46004171
          69
 Energy    -249.09407832961620     
  O     16.03513573     11.58900959     -9.54659341
  H     16.19475402     12.02405017     -8.71299523
  H     14.15589064      7.91410161    -13.95052895
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  O     17.50002405      9.84552469    -12.55151739
  H     13.09044220      6.45027670    -11.01301805
  H     14.31684326      6.19214638    -15.19970625
  O     17.51057457      9.01405294    -15.14093400
  H     13.12336782      5.37255581    -12.11502633
  H     16.52045323      5.98514957    -14.79463359
  O     16.33994377     12.40116788    -12.19559906
  H     17.66397675      9.60014558    -13.47318992
  H     17.43188554      7.23947046    -14.66151517
  O     14.30041518      7.39209857    -10.03775963
  H     17.18890038     10.75969604    -12.54710857
  H     14.89358988      8.00078403    -11.69169030
  O     14.94463196      9.70323465    -16.04906677
  H     18.03348804      8.91364540    -15.94852794
  H     15.90539444      8.89107374    -12.48898980
  O     14.37373664     11.63428619    -14.17325030
  H     16.62570180      9.29235799    -15.41272038
  H     13.19502214     10.20395909    -10.47362858
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  H     16.16702638     12.19629518    -11.26268340
  H     14.37849383     10.61437351     -9.57381638
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  H     16.77947646     13.24866124    -12.21195693
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  H     14.06493954      8.28555022     -9.74369306
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  O     13.57531661      7.71899909    -14.70562410
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  H     13.64893458      9.63434645    -12.39648643
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  H     14.76423525     10.48342760    -15.50432580
  H     12.12964067      9.50841362    -12.59025152
  O     17.40273831      6.28170049    -14.52910948
  H     14.38684162      8.99544628    -15.69595190
  H     17.34849755      6.04945702     -8.84510077
  O     15.04901268      8.45121489    -12.53194001
  H     13.68056349     11.25878441    -13.61386478
  H     16.96096693      6.20314253    -10.33468771
  O     13.61902404     10.02302287     -9.62401253
  H     15.03059257     11.98146775    -13.55958404
  H     18.32397807      5.78464390    -16.02136789
  O     14.41872135      4.21728863    -12.92792631
  H     15.84999383      6.72443737    -18.10194190
  H     19.33332219      4.96779198    -16.85833378
  O     12.81974015     10.13534710    -12.34265530
  H     16.88106426      5.65692222    -17.68936000
  H     17.72911781      9.46880845    -10.77448677
  O     16.95945244      6.65452361     -9.47073971
  H     11.64968324      7.19984663    -12.60294353
  H     17.42539622      8.46725782     -9.63669932
  O     18.65754622      5.63773084    -16.92197267
  H     10.30868231      7.69740561    -13.19560955
  H     15.47102024      9.05224974    -19.18213453
  O     17.58030860      9.40094967     -9.82000133
  H     17.16511161      5.76024275    -12.71319104
  H     15.49466094      9.07152869    -17.63941582
  O     15.85085684      8.61873099    -18.42163770
  H     15.99066218      4.97369652    -12.11284285
  H     18.75298173      7.47901956    -17.49243011
  O     18.60122238      8.42742526    -17.59223387
  H     12.67439176      7.76933464    -14.36619342
  H     17.74092915      8.51410782    -18.02346094
          69
 Energy    -249.09380062605396     
  O     14.73315644      3.37009076    -10.33041725
  H     14.64078817      2.40932800    -10.34979776
  H     16.62688516      5.95355685    -15.08902710
  O     12.58602125      4.32222004    -11.80812339
  H     13.95922904      3.72960814    -10.78936481
  H     13.96391069      9.17396235     -9.83128556
  O     16.83519828      3.54055576    -12.14928057
  H     11.97861638      4.93997965    -11.38668448
  H     13.72973522     10.66291822     -9.48278198
  O     19.13179208      7.10857829    -13.22480399
  H     13.03634356      4.82198499    -12.50631058
  H     16.02065872      7.88556875    -11.92908282
  O     11.85999652      7.71427348    -13.11789593
  H     16.08778386      3.49483312    -11.53488210
  H     14.87657258      7.23751246    -11.08157310
  O     12.85544190      1.78604378    -12.99616539
  H     17.41885780      4.22066446    -11.79359818
  H     12.73112498      7.13154358    -10.04073970
  O     14.50623844      0.61725943    -10.94671334
  H     18.81820197      6.59770523    -12.45911757
  H     14.02840632      6.78757988     -9.22226133
  O     17.39156859      9.18866233    -12.38660972
  H     20.06801718      6.94549568    -13.30369214
  H     13.93156924      1.78036500    -14.38168958
  O     16.99236294      9.28737904     -9.62530637
  H     12.36003671      8.53805862    -13.02143803
  H     14.24907127      1.28023709    -15.80979986
  O     13.91326516      5.85875093    -13.66527117
  H     12.47260999      7.08400231    -13.51825777
  H     10.23403796      6.67862653    -10.59638692
  O     15.74251073      9.27553673    -14.62413780
  H     12.60327549      2.64031782    -12.62138302
  H     11.31514614      7.00195208    -11.66092454
  O     16.94688642      6.86417636    -15.09210724
  H     13.27032109      1.29786648    -12.27460248
  H     17.02934412      6.17091252    -11.37458049
  O     14.29080531     10.07793131     -9.98621080
  H     14.53044531     -0.23052839    -10.51191085
  H     18.01558863      6.10321004    -10.19613403
  O     15.52615700      7.07123882    -11.77725424
  H     15.20799340      0.60838557    -11.62226810
  H     15.50061898      3.41481554    -15.00608898
  O     13.59099444      7.46602761     -9.76029075
  H     18.09554556      8.59875513    -12.68549020
  H     16.27948847      4.03136975    -13.82845110
  O     14.62041951      1.75335086    -15.07005480
  H     16.88332701      9.42258486    -13.17465569
  H     15.87310279      1.05277883    -13.75097865
  O     11.15073701      6.54067039    -10.81592169
  H     16.09764647      9.64884283     -9.61775804
  H     16.72235083      1.75059436    -12.67681682
  O     17.91454434      5.85846388    -11.12367894
  H     17.28264827      9.36969546    -10.54401138
  H     15.97430455      5.87512559     -8.50496247
  O     15.91669129      4.23155452    -14.70402111
  H     14.49515560      5.28469645    -14.17665699
  H     15.06102800      4.74445243     -9.06940295
  O     16.35484321      0.89190774    -12.93033897
  H     14.49409206      6.34718302    -13.06202245
  H     18.14333193      7.00920433     -7.74737083
  O     15.06642693      5.55259338     -8.53947873
  H     15.67917429      9.74806810    -15.45047061
  H     17.40965878      7.75567660     -8.88589599
  O     17.65047034      6.87234567     -8.55187152
  H     16.07718189      8.38710771    -14.83972290
  H     13.92376930     10.03332619    -11.93064193
  O     13.56835082      9.87263591    -12.81160794
  H     17.75527662      6.87005547    -14.56597810
  H     14.31531574      9.69096401    -13.39452772
          69
 Energy    -249.09372810627781     
  O     13.48325673     11.11851170    -10.49170448
  H     12.62644142     10.75327840    -10.22886680
  H     16.33817093     15.62392467    -17.75492545
  O     10.93234338     11.80380609    -14.70545002
  H     13.30027310     12.00000072    -10.84535407
  H     13.67828081     14.24941195    -11.05017123
  O     14.00451338      9.50958058    -12.72196395
  H     10.93159581     12.29175920    -15.54027961
  H     13.69605658     13.41988973    -12.35986970
  O     18.57364956     14.34536661    -13.16238092
  H     10.80815060     12.46501127    -14.01086928
  H     11.44004991     14.97023127    -14.16694158
  O     10.92512178     10.13289764    -10.18680583
  H     14.95347795      9.38277133    -12.84600799
  H     11.68238279     14.76408578    -15.66844932
  O     13.50752815     10.87557627    -15.03909225
  H     13.89175425     10.04281408    -11.92122867
  H     14.37310847     12.32727997    -14.29229051
  O     15.08837341     15.01395652    -10.11875750
  H     17.84097594     14.94347427    -12.92484617
  H     14.78144177     13.83640530    -14.13548694
  O     11.09521090      9.55097461    -12.87173681
  H     19.38266483     14.79627430    -12.93836475
  H     17.60299819     12.65715845    -15.79583459
  O     14.65138281     15.55689729    -14.67717622
  H     10.43898443      9.45213688     -9.72870163
  H     18.07990410     13.86691158    -14.94852729
  O     13.85893922     13.19524258    -17.78633745
  H     10.86833565      9.91073549    -11.13183286
  H     12.21655889     13.33488784    -17.28912237
  O     10.70134909     13.83948080    -12.77418170
  H     12.59657803     11.18911944    -14.96162808
  H     10.76447546     13.61849485    -17.73883305
  O     15.89579963     15.04734688    -17.13832746
  H     13.69872181     10.34327091    -14.25342076
  H     17.49582499      9.00549618    -12.92346299
  O     13.14048938     13.67235364    -11.60567750
  H     15.43785554     14.12203953     -9.93900231
  H     16.96248823     10.45634390    -12.87203382
  O     11.92368439     15.32548210    -14.92148987
  H     15.11669388     15.49309880     -9.29503044
  H     16.47614631     10.72474925    -16.41010014
  O     14.76368828     12.97569955    -13.69515289
  H     12.03954228      9.35420628    -12.90988890
  H     17.04858456     10.36091528    -15.02310689
  O     17.71975752     13.61853002    -15.80610151
  H     10.92752349     10.21785502    -13.54784742
  H     14.56398276      9.77834984    -17.82261159
  O     11.29864776     13.42245668    -16.97371729
  H     13.68710203     15.58225841    -14.76998071
  H     14.32749394     10.61293574    -16.53930646
  O     16.78706365      9.56741847    -13.22787811
  H     15.03815312     15.51583537    -15.56073505
  H     16.23762964     12.44251443    -12.85840623
  O     17.21214579     10.89293942    -15.80845847
  H     14.55538694     13.84038697    -17.61282565
  H     17.71550728     12.80574257    -12.59319033
  O     14.84829870     10.56359810    -17.36174397
  H     14.27538037     12.32557280    -17.76166594
  H     15.95657290     15.64506529    -11.71275323
  O     17.03816916     12.14820931    -12.39451575
  H     10.00103790     13.92562848    -12.13251954
  H     15.77839507     15.88487289    -13.23750721
  O     16.43107282     15.85958887    -12.52401436
  H     11.53490959     13.79563428    -12.27465117
  H     16.40025560     12.28374665    -10.65399355
  O     15.90125699     12.43854184     -9.84018192
  H     16.58963615     14.52846073    -16.68884145
  H     15.12966402     11.85890031     -9.89044726
          69
 Energy    -249.09363283547560     
  O     14.97807475     13.59538164    -15.78596728
  H     14.70766464     13.11419879    -16.57674275
  H     15.05550494     10.62729851    -15.08901459
  O     17.52266725      8.71995250    -16.77384673
  H     15.46926927     12.95899624    -15.24104866
  H     17.30691885     10.33547503    -17.52400994
  O     14.97702310      9.72350496    -11.61921624
  H     18.11275971      8.69795238    -16.01238938
  H     16.25640176     11.40309364    -17.93152787
  O     17.46429332     15.53529003    -12.94190565
  H     16.74269165      8.21144326    -16.51646483
  H     14.21485625     11.08096003    -17.01381997
  O     15.18819802      7.63675870    -15.61681627
  H     15.57208568      9.22324372    -12.19378132
  H     13.66816790     11.46950222    -18.40797845
  O     13.49025267      7.78202498    -10.39483075
  H     15.40674384     10.56436834    -11.40821850
  H     18.37430845     13.93568002    -12.28693949
  O     15.11069905      6.02924621    -11.99099263
  H     17.95197013     16.34979975    -12.84976210
  H     18.92113177     12.56910771    -12.75369774
  O     16.25814038     11.66237029    -14.23793944
  H     17.47305059     15.31405417    -13.89092535
  H     13.75553999     13.88931999    -12.88830925
  O     12.78427498     10.64135981    -13.16832210
  H     14.53596507      7.02012406    -15.26195606
  H     13.69037175     13.52048864    -14.37177320
  O     16.56147521      8.01445195    -13.21454371
  H     14.76871932      8.51062708    -15.64119058
  H     18.17163108      8.51856522    -13.79778749
  O     19.04770767     11.58401223    -14.31707814
  H     13.34838681      7.93848837     -9.46506354
  H     19.64824503      8.13722252    -14.04004125
  O     14.26071829     10.20969732    -15.45626727
  H     14.03000124      8.52161352    -10.72519124
  H     12.76643077      6.74944120    -13.78749368
  O     17.20024544     11.25109174    -17.82408051
  H     14.56539553      6.47122460    -11.32816241
  H     12.68846820      5.38814599    -14.51784247
  O     14.35253521     11.67048890    -17.77515639
  H     14.52687238      5.88085383    -12.74595644
  H     14.79798686     15.44754967    -11.12874374
  O     18.64511473     13.06581209    -11.97024748
  H     16.09595746     11.84090137    -13.30396890
  H     15.86509198     15.08633394    -12.18500193
  O     13.26708979     13.35032148    -13.52037829
  H     17.21624936     11.62879049    -14.34666376
  H     16.54656356     14.57639884    -15.75803998
  O     18.98024450      8.77836457    -14.27109943
  H     12.83429542     11.60602567    -13.24156515
  H     18.04022776     14.25814381    -15.99100083
  O     13.29511629      6.07176381    -14.24601515
  H     13.52128634     10.36378593    -12.60572774
  H     15.64687555     13.01966158    -11.40709833
  O     15.05215890     14.77439386    -11.75573359
  H     16.23315891      7.26781670    -12.69198708
  H     17.06488569     12.40078503    -11.48824297
  O     17.44327429     14.87218932    -15.54802077
  H     16.12907944      7.93396445    -14.07673945
  H     12.32535885      7.84697328    -11.91962986
  O     16.12148249     12.18110990    -11.43676866
  H     19.14869285     10.62430267    -14.35920436
  H     12.05069653      8.90714260    -13.00027440
  O     11.97495467      7.96257651    -12.81222897
  H     19.19925120     11.95917099    -15.19450142
  H     18.38549696     12.30436917    -17.21799974
  O     19.06496539     12.86645523    -16.80003305
  H     13.58503902     10.30541540    -14.77241195
  H     19.72815574     13.03460972    -17.46358240
          69
 Energy    -249.09356459280826     
  O      1.62054504      0.45816167      4.88628626
  H      1.08708926     -0.30885217      5.16129186
  H     -2.19433247      2.79614272      0.54602199
  O      0.80697780     -0.20423281     -2.99285398
  H      2.25926189      0.60368655      5.57961409
  H     -2.29025007     -0.43176092      4.87372258
  O      0.05469929     -1.66187298      5.61252701
  H      0.06266977      0.14117546     -2.48150877
  H     -3.36884160     -1.06537433      5.76608500
  O     -1.02885705      0.60409897     -0.99391935
  H      0.88518775     -1.13178850     -2.73798232
  H     -0.03010999      2.83167100      1.05567749
  O      1.09880508     -2.78062108     -1.71458620
  H     -0.15785841     -2.44327715      5.09193399
  H     -0.72541125      3.05175158      2.40909828
  O      2.91821860     -1.39148849     -0.24496359
  H     -0.80531201     -1.30836223      5.88412629
  H     -1.29463227     -0.68646386      2.73375893
  O     -3.53136539     -3.15050726      3.24493167
  H     -0.25914527      0.92394316     -0.49976622
  H     -2.62089833      0.13516048      2.59956115
  O     -0.54713719      2.21274023      4.05978209
  H     -1.74292591      1.22601730     -0.81410784
  H     -0.57895191     -2.47005910     -1.00235953
  O      2.94434204      1.01251788     -1.81006682
  H      1.75937947     -2.34744462     -1.14394008
  H     -1.29025943     -1.12475224     -0.70892232
  O     -5.16694169      0.91600030      4.08964050
  H      1.51081939     -3.56763817     -2.06077142
  H      1.97620356      0.01475475      3.09912849
  O     -5.07428171     -1.60727727      5.05168081
  H      2.73756394     -1.08738290      0.65373581
  H      1.21411447     -0.91662945      2.12920035
  O     -2.90517450      2.45834448     -0.03121469
  H      3.10494158     -0.59519641     -0.75779598
  H     -2.86947042      1.27211697      5.86710855
  O     -2.50573930     -0.63860700      5.79845016
  H     -3.70432174     -2.83018807      2.35334916
  H     -2.22892630      2.42492869      5.09778000
  O     -0.80669716      3.23691253      1.46423910
  H     -4.10332405     -2.64805945      3.83998718
  H      1.86467807      1.58261804     -0.36905013
  O     -1.84759540     -0.01892550      3.15573057
  H     -1.03489687      1.45508487      3.69609218
  H      1.47384099      1.02086213      1.02544824
  O     -1.34017250     -2.08173955     -0.55246463
  H      0.25688941      1.82830195      4.42352319
  H     -1.91913241     -3.58969580      3.72294601
  O      1.95145652     -0.28845095      2.18408449
  H      2.22512134      0.63002120     -2.34363634
  H     -0.92843940     -4.72232755      4.08365362
  O     -3.05865282      2.14715335      5.50294484
  H      3.52828966      1.46395997     -2.41301577
  H     -0.40387993     -2.69488182      2.57321422
  O      1.19738606      1.63009859      0.32561293
  H     -4.51349598      1.47076998      4.53985374
  H     -0.59377386     -2.11679223      1.12290654
  O     -0.98032010     -3.78997756      3.89247253
  H     -4.89716124      0.86202486      3.16415853
  H     -2.99979863     -2.23804316      0.08814197
  O     -0.20070648     -1.95287412      1.98829085
  H     -5.85999375     -1.80361218      5.55407368
  H     -4.47723164     -2.66295161     -0.05951991
  O     -3.87334998     -2.19168005      0.51027646
  H     -5.17863248     -0.69887351      4.71319555
  H     -3.74064993      1.12571644      0.92705558
  O     -4.06443549      0.44673763      1.53354806
  H     -3.33636651      3.21894741     -0.41085098
  H     -4.09197790     -0.39913260      1.07038047
          69
 Energy    -249.09342140994073     
  O     14.11195650     12.60715392    -13.15447428
  H     14.59285903     12.38972540    -13.97406800
  H     20.04486112      4.54400798    -13.10621852
  O     14.94969123      6.10540324    -13.44667687
  H     13.72632725     13.46987466    -13.28136843
  H     17.68981913     11.99318859    -13.20900296
  O     17.32798235      7.09160780     -9.98204492
  H     14.70262896      5.87779927    -14.35434649
  H     18.83356023     12.54260687    -14.09675004
  O     18.36016145      9.07290839    -13.75911190
  H     14.15552556      6.13008048    -12.89577887
  H     15.38056756      7.79410531    -13.48142437
  O     12.50620471      8.00984736    -16.24815116
  H     17.15384475      6.35724813    -10.59126231
  H     15.38689203      9.01700044    -14.44752587
  O     13.74513916      8.72858885    -10.17567879
  H     16.67025132      7.01499119     -9.28158528
  H     13.33490438     10.98599137    -12.72476672
  O     12.89950858      6.36571863    -11.59821241
  H     18.45092824     10.02299312    -13.90176366
  H     13.93020846      9.57944214    -12.90272183
  O     16.29847550      9.47132820    -10.93777611
  H     17.41149440      8.91103996    -13.67744870
  H     14.65296446      5.28957640     -9.40276809
  O     16.56846702      7.16683721    -17.22230439
  H     12.17188992      7.95087436    -15.33527658
  H     15.29635508      4.56885948    -10.60101382
  O     18.44004124      6.76080493    -15.33205619
  H     11.74292560      8.09465912    -16.81331852
  H     11.91499570      7.25470465    -13.01115269
  O     14.32437572      5.80609982    -16.08594917
  H     13.25385808      9.26403108    -10.81060549
  H     12.01884002      8.76235585    -13.29635710
  O     19.26520539      5.09192373    -13.14142963
  H     14.66273871      9.01359153    -10.30700716
  H     18.93518714      7.40308200    -11.01497000
  O     18.17813811     11.85230396    -14.04093946
  H     13.28120561      5.62926448    -11.09679083
  H     19.20814065      8.10108170    -12.37079257
  O     15.54918495      8.74772253    -13.53316423
  H     13.13695068      7.16122559    -11.10529062
  H     16.17679324      5.35279168    -12.41351650
  O     13.15016808     10.04976276    -12.57917230
  H     16.07354542      9.25851558    -11.85487505
  H     17.63058390      4.86119335    -12.21796118
  O     14.47102643      4.65517268    -10.10650221
  H     16.77982752      8.70800642    -10.59021019
  H     14.70987957      7.07458228     -7.47078397
  O     11.70176632      7.92768323    -13.66854601
  H     17.25790332      6.97294679    -16.56165599
  H     14.41153792      7.56686019     -8.90159962
  O     19.54020478      7.42347054    -11.76644225
  H     16.96194167      7.02110763    -18.07844717
  H     16.51805200     11.85701395    -15.03372284
  O     16.80034861      5.01417906    -11.75234209
  H     18.68582854      6.07469903    -14.70205028
  H     15.40762068     11.04939841    -15.75741215
  O     14.94824087      6.94435612     -8.38588183
  H     18.56090140      7.59963556    -14.86666927
  H     15.73781843     12.33543482    -12.12602434
  O     15.59274746     11.88328552    -15.30658187
  H     15.09665515      6.14860954    -16.55366847
  H     16.55914533     11.27212214    -11.35751647
  O     16.62878288     12.11205874    -11.83098890
  H     13.62423294      6.45578067    -16.22670686
  H     15.59625710      8.62697433    -16.62245568
  O     15.01997277      9.27470605    -16.19459761
  H     19.46724806      5.90107793    -12.63704029
  H     14.11757754      8.93437340    -16.26562968
          69
 Energy    -249.09323736990254     
  O     13.14083319     12.47730040    -15.37076342
  H     12.33669448     12.14532259    -14.94227517
  H     15.13818319      7.49852918    -19.31039250
  O     14.80707073      7.43251301    -14.10522447
  H     13.82673892     11.83954682    -15.13698755
  H     17.55347717      7.68595987    -12.37005812
  O     15.73059924      9.80280148    -10.41461832
  H     14.86281323      8.36780388    -14.34173071
  H     18.33432680      9.01450458    -12.30103549
  O     17.49528446     12.13470149    -13.46691872
  H     15.24938996      7.33043973    -13.25077152
  H     16.96840657     10.78236409    -16.78665166
  O     13.08275884      9.37321015    -17.14174607
  H     15.21471349     10.25827598    -11.10037824
  H     17.80332186      9.87350252    -15.81688185
  O     13.26634350      9.02033462     -9.36720550
  H     16.63906341     10.10311532    -10.53725638
  H     15.63721359     10.29838704    -15.27193312
  O     12.14659770      7.49027245    -13.27593986
  H     17.51214390     11.72625751    -14.34108405
  H     14.19458219      9.83510366    -15.70583804
  O     14.21901876     10.94048550    -12.35772199
  H     16.71669812     12.70770921    -13.44657734
  H     10.89957695     10.31514853    -14.65414228
  O     16.30023172      7.00367367    -16.43740194
  H     13.06317014     10.25532505    -17.53758495
  H     11.15292819     10.82715582    -13.23307291
  O     13.33288074      6.50801262    -10.81216892
  H     13.69285016      8.83933567    -17.66909450
  H     11.67549303      8.83104775    -16.18276255
  O     18.64436128      8.25613504    -15.46429338
  H     13.17093539      9.16630022     -8.42890078
  H     10.22152103      8.30745485    -16.14109037
  O     15.08251470      8.08723429    -18.56309372
  H     14.16533471      9.30369995     -9.60050062
  H     17.97911662     11.21577831    -12.10002749
  O     18.25328922      8.19235787    -12.80043831
  H     11.62726989      7.74823122    -14.04675812
  H     18.99473271     11.06586085    -10.94297117
  O     17.26273854     10.67192390    -15.87029868
  H     13.05545776      7.38600161    -13.59392230
  H     15.88497898      8.10463705    -11.14074591
  O     14.74185812     10.10392439    -14.95658684
  H     13.32565810     10.62825096    -12.16380312
  H     15.09647245      6.78586644    -11.26180343
  O     11.06324564     11.11993010    -14.14800422
  H     14.44546983     10.61201334    -13.23800438
  H     15.20558133     11.30696810    -18.30728666
  O     10.93638874      8.61695529    -15.58978930
  H     15.75975063      6.95690165    -15.63787482
  H     15.76864557      9.88773895    -18.51735825
  O     18.24261366     10.64713738    -11.35249330
  H     17.15549770      7.35276867    -16.15758760
  H     12.11304820      9.57668689    -10.82199443
  O     15.89905735      7.23498332    -11.56400662
  H     12.77488722      6.66978161    -11.58243957
  H     11.88068933      8.95883291    -12.22185530
  O     16.02360081     10.79675793    -18.31491707
  H     13.20649040      7.26908696    -10.23190874
  H     14.37031916     13.52842110    -14.05108100
  O     11.79442545      9.77779629    -11.71001480
  H     19.55161576      8.02437276    -15.64358812
  H     14.69533954     12.69599979    -12.81479891
  O     15.01994982     13.43628005    -13.34789961
  H     18.52691886      8.20416162    -14.49793986
  H     13.26912595     12.32629985    -17.12466638
  O     13.38614230     12.00957158    -18.03753354
  H     15.54941546      7.65284616    -17.82527878
  H     12.98422268     12.65905716    -18.60830272
          69
 Energy    -249.09314612347509     
  O     15.22653582      5.94776698    -12.87028799
  H     14.79452965      6.78086072    -12.63337683
  H     19.76517599      4.58923263    -12.97087994
  O     19.37891104      7.95170564    -12.38034955
  H     15.99861612      5.86522474    -12.29171996
  H     15.93171587      7.68749447    -15.40719573
  O     17.75701394      7.07865804    -18.03344695
  H     19.97659798      7.33516694    -12.82027820
  H     16.15312719      6.84943849    -14.12188731
  O     15.16973912      5.73802234    -17.63778983
  H     19.08124077      8.57610614    -13.05777025
  H     15.01292088     11.20541532    -14.24019690
  O     16.90864691     11.07850049    -10.29695807
  H     16.89738753      6.64361171    -18.02757580
  H     13.66613026     10.71596870    -14.80071296
  O     14.29545015      8.53799914    -12.39798084
  H     18.28070038      6.58209806    -17.39130721
  H     16.81648829      6.83663622     -8.00372684
  O     18.24679465      9.46873547    -14.38771744
  H     15.19264627      5.24618977    -16.79726167
  H     16.26452611      7.73559565     -9.13763982
  O     17.79654296      3.18346820    -14.91194771
  H     14.79125431      5.15046867    -18.28644721
  H     11.77742316      8.83209202    -14.90716643
  O     15.11439204      8.90651555     -9.72141782
  H     17.64145615     10.45281656    -10.15281479
  H     13.26024129      8.64898190    -15.30929684
  O     18.69074835      5.74904596    -15.71616617
  H     17.12559328     11.87397529     -9.81870618
  H     20.07456045      5.97079363    -14.61545506
  O     15.24940973      4.38822844    -15.26109537
  H     13.59979912      8.68164248    -13.05087382
  H     21.59220968      6.02388350    -14.32139007
  O     19.04203922      4.03172061    -12.65909376
  H     14.98805329      9.18364386    -12.60320056
  H     18.13269040      6.72880357    -11.75122985
  O     16.60829525      7.36002160    -14.80271663
  H     18.38445328      9.72866341    -15.30892312
  H     17.37382570      6.29731714    -10.46999668
  O     14.38770353     11.33321335    -14.96758615
  H     17.66067348      8.69619598    -14.45106545
  H     19.12644726      8.77708722    -10.73229016
  O     16.99971756      7.14759310     -8.88574048
  H     18.20491111      3.40558428    -14.05592878
  H     18.31973102      8.44967473     -9.45597228
  O     12.67004486      9.02719857    -14.63435106
  H     18.05669235      2.28899488    -15.11503518
  H     15.05693531     10.99456649    -16.55024037
  O     20.73568188      6.00637149    -13.90234109
  H     15.59850976      9.73341884     -9.83958197
  H     15.12663211     11.28765292    -18.06827043
  O     17.56602140      6.03785353    -11.37993623
  H     14.68043421      8.73039675    -10.56641743
  H     16.95020072     10.29222013    -13.42988891
  O     18.78367755      9.16121966     -9.91376717
  H     17.95852885      6.31502007    -15.42623407
  H     16.43602057     10.85092906    -12.06570612
  O     15.37526956     10.65029688    -17.40414601
  H     18.40065424      4.83731896    -15.58746568
  H     18.03656286      8.86286107    -17.50413915
  O     16.15880345     10.56475312    -12.94461686
  H     16.06111179      3.88108661    -15.13267546
  H     17.22948814     10.14921528    -17.26705088
  O     18.09254348      9.74722018    -17.11545814
  H     15.08345234      4.83203807    -14.41946030
  H     14.63658767      7.36690368    -17.02832190
  O     14.48495607      8.15982483    -16.49733824
  H     18.49773309      4.60472663    -12.10163757
  H     14.82183645      8.93277078    -16.97084378
          69
 Energy    -249.09298414082616     
  O     -5.25163770      3.55679594      3.19095208
  H     -5.27506068      4.12543443      2.39854240
  H     -5.43032268      3.91998790     -2.24168610
  O     -2.51473656     -2.52892608      0.98652239
  H     -6.13018064      3.56025528      3.56094280
  H     -0.61404547     -1.40761270     -3.35530247
  O     -1.99758683      4.52817452     -1.82816035
  H     -2.94553658     -2.11035416      0.21955324
  H     -0.57725590     -1.28902254     -1.81346196
  O     -3.88019585      1.47923963     -0.80851604
  H     -2.94540719     -3.36895538      1.11975453
  H     -1.08061763      3.32977039      3.26336873
  O      1.65626341      4.35846310      0.95919134
  H     -1.69632690      3.62729235     -2.00345585
  H     -0.92622120      2.55974833      4.60526804
  O     -1.38513004      3.13494965      1.51915371
  H     -2.95976574      4.47432140     -1.79744017
  H     -3.08045064      7.75991814      2.12590423
  O     -0.67535720      0.81079217      4.96564213
  H     -3.85207560      1.48873526      0.15880513
  H     -2.94897053      6.32457222      2.68884379
  O     -3.49872365     -1.29735227     -1.22538941
  H     -2.97317810      1.58930964     -1.13426059
  H     -2.84069852      2.23581478      1.77619698
  O     -1.86507091     -0.38035719      2.67953474
  H      0.88865261      4.92327372      0.79063986
  H     -4.23833096      2.18953065      2.44624928
  O      0.76184700     -0.07253418      1.75876911
  H      1.73255052      4.27175509      1.91545710
  H     -2.31280214      4.66093568      4.26196401
  O      2.07438955      1.05831532      3.98540570
  H     -0.71323279      2.63706863      1.03746717
  H     -3.81325238      4.62571765      3.89915807
  O     -4.80292855      3.96306945     -1.52429133
  H     -1.33209954      4.03685957      1.17647139
  H     -0.58228111      1.85936037     -1.29137708
  O     -1.02205737     -0.96369366     -2.61687639
  H     -1.13685412      0.28963448      4.29445752
  H     -1.21947308      0.87930526     -2.29965624
  O     -0.90141707      3.44338135      4.20974457
  H      0.26419062      0.73544630      4.76316088
  H      0.81350274      3.80482346      4.03855090
  O     -2.93697910      6.85252562      1.86976376
  H     -3.80366793     -0.38788006     -1.11408962
  H      2.12294936      4.55268002      4.38318488
  O     -3.60532925      1.66047740      1.94694074
  H     -2.74580567     -1.24741248     -1.82814560
  H     -5.00430644      4.81208677      0.12655977
  O     -3.06663040      5.22153819      4.03723259
  H     -2.12008620     -1.18006149      2.20264011
  H     -4.38147817      5.79520733      1.15639621
  O     -1.32924781      1.75036812     -1.90037689
  H     -2.53196464      0.28881770      2.47039871
  H      0.83207586      1.27153554      0.54862098
  O      1.76641981      3.84925436      3.84590069
  H      1.29952470      0.23098739      2.49926791
  H      1.15201483      2.78808275      0.24024707
  O     -5.09101403      5.15515595      1.02435197
  H     -0.14846453     -0.14460286      2.08330766
  H     -0.78680300     -2.25164469      0.18663759
  O      0.64124415      2.01378215     -0.03982399
  H      2.05684448      2.02529614      3.91542802
  H      0.42994433     -1.33178400      0.37978153
  O     -0.01155909     -1.89673153     -0.26653508
  H      2.90389094      0.82885513      4.39825410
  H     -1.52830098      6.16501469      0.85742933
  O     -0.86735411      5.60919961      0.42691921
  H     -4.56694987      3.04601694     -1.30343720
  H     -1.22347732      5.33509604     -0.43409267
          69
 Energy    -249.09289243880252     
  O     15.98683040     10.52568323    -16.56687595
  H     15.13210336     10.76173128    -16.18900661
  H     21.07337951      9.72566481    -17.21766602
  O     18.51703311     13.58857271    -11.21888124
  H     16.36710492      9.87358729    -15.95474651
  H     17.80735968      8.38210712    -14.73411133
  O     19.61321044      8.01932054    -14.53488057
  H     17.67311018     13.24015048    -10.87667243
  H     16.46123717      8.61482947    -13.98191225
  O     15.34666963      7.04777870    -16.66179213
  H     18.52466550     14.52431238    -11.03840642
  H     13.49711166      9.80054711    -14.98833547
  O     17.52133842     10.15343236     -8.97088839
  H     19.93539884      8.34897563    -15.38380823
  H     12.71179501     11.09796702    -15.27935755
  O     15.65119193      8.83702080    -12.29252436
  H     19.54262720      7.05666392    -14.56390564
  H     17.72314091      8.63565339    -10.08394382
  O     18.07350107     11.91941977    -13.45206108
  H     15.48673535      7.53088037    -17.48540213
  H     18.51555159      8.60058071    -11.40618527
  O     18.99160371      5.30129600    -14.46507900
  H     15.91505379      7.48033447    -16.00399927
  H     13.93618570      7.64921137    -15.62250428
  O     14.37237928      6.40792793    -12.70623624
  H     17.53722278     10.17546576     -8.01736230
  H     13.60363452      7.46671082    -14.14246073
  O     17.69257138      5.44608648    -16.80085120
  H     18.35434298     10.55912887     -9.27352146
  H     19.87183606     10.71242140    -10.85381238
  O     17.02325443      5.82963624    -12.43368309
  H     15.06969959      8.06854342    -12.34010569
  H     19.49736176     12.14057326    -10.41223949
  O     20.24628423      9.38214060    -16.89035203
  H     16.40653779      8.58894192    -11.74232198
  H     18.99166637     10.46837787    -12.80184422
  O     16.86710071      8.55890125    -14.85488691
  H     18.31235487     12.59242485    -12.80252957
  H     19.69239726      9.12695013    -13.14044849
  O     13.58645710     10.76453680    -15.09730023
  H     17.12160945     11.77285902    -13.36037285
  H     16.49433655     11.54905719     -9.93618113
  O     17.88751175      8.09549479    -10.86753126
  H     18.51134822      5.28797449    -15.31393647
  H     15.79255406     12.07341811    -11.22008120
  O     13.42687543      8.03854457    -14.89762523
  H     19.51465877      4.50501376    -14.43154637
  H     17.82017303      8.01461845    -18.58734773
  O     19.74710908     11.27151283    -10.07408580
  H     13.86571016      5.77580403    -12.20324574
  H     19.20486764      8.18617772    -17.93030234
  O     19.49604618      9.73778657    -12.41698192
  H     15.29953817      6.10952055    -12.66988444
  H     14.70390763     11.40639003    -13.65705780
  O     16.24020642     12.35019454    -10.40931132
  H     18.12038572      6.08388809    -17.39228295
  H     15.42728435     10.50765912    -12.64564560
  O     18.62739916      7.54023081    -18.35418696
  H     16.77188904      5.72803061    -16.75902987
  H     18.54932767     11.67821481    -15.23201558
  O     15.35012412     11.42924969    -12.94400084
  H     17.42548826      6.46324645    -11.82619274
  H     17.71582009     11.29308652    -16.45872387
  O     18.62472926     11.42695425    -16.16237975
  H     17.68579485      5.62652821    -13.10410637
  H     16.03588053      9.53747885    -18.05761665
  O     16.09474299      8.85463236    -18.74674109
  H     19.69724416     10.15091585    -16.65217724
  H     15.71252268      9.22553038    -19.53784171
          69
 Energy    -249.09277779965777     
  O     16.04190245     10.20013412    -16.24451495
  H     16.65918633     10.79671382    -16.70705761
  H     18.74776633     11.15585485     -9.74020692
  O     21.35751229     10.58804974    -15.51262747
  H     15.53159020      9.75563394    -16.91601166
  H     19.44786308     17.73773481    -12.26773835
  O     19.21286640     12.91518638     -9.80752625
  H     21.04197882      9.78405053    -15.08672711
  H     18.70212616     16.39714492    -12.46068334
  O     14.64897690     11.84053434    -12.01057776
  H     21.38886486     11.25394929    -14.80924273
  H     21.56888551     11.08778501    -10.99207227
  O     20.85345657      9.50162826    -11.35860704
  H     18.41018891     13.06454160    -10.32962211
  H     20.84912648     12.35733489    -10.46885301
  O     16.43034825      9.61609885    -11.73456257
  H     19.63405915     13.78233930     -9.71345095
  H     17.16779290      9.35116819    -13.30006258
  O     20.51228991     12.32405762    -17.40091140
  H     14.74752406     12.04179615    -12.95860453
  H     17.07168810      9.53991877    -14.86035830
  O     20.54061752     15.31775341     -9.98348995
  H     13.72728127     11.95963292    -11.79860642
  H     20.55993992     15.00399949    -15.32692954
  O     21.07208724     12.48379855    -13.53651049
  H     20.67700086      9.12620971    -12.22910159
  H     20.23778674     14.00413872    -16.47020136
  O     15.07213390     12.37947661    -14.64597238
  H     20.00157931      9.58987539    -10.91379342
  H     22.12543299     15.06146194    -12.88725212
  O     17.69446547     12.03357801    -17.31511771
  H     15.77004310     10.31974452    -11.74612816
  H     20.80169309     15.79748260    -13.16670821
  O     18.50197501     10.22155641     -9.83232046
  H     17.07663829      9.84860756    -11.05621906
  H     17.20193262     15.19995971    -13.76505474
  O     19.56048342     16.79178451    -12.22536168
  H     20.82392411     11.65025214    -16.77104632
  H     17.09401079     14.83804089    -12.27674610
  O     21.67580091     12.04246282    -10.86129909
  H     21.09158733     12.27919104    -18.15723402
  H     23.89439936     14.44660056    -10.97812138
  O     17.67449504      9.36266847    -14.12833932
  H     20.14420430     15.87997085    -10.66126683
  H     22.64956935     13.54030519    -11.09010117
  O     19.91227954     14.78640662    -16.00623536
  H     21.43758308     15.14430323    -10.29196569
  H     19.29742375      8.72118719    -14.05833896
  O     21.46884792     15.22837249    -13.57571167
  H     21.17121166     13.43915902    -13.63671705
  H     20.26702167      7.51896814    -14.13091919
  O     17.24584759     15.57866075    -12.87937680
  H     21.30968489     12.26815453    -12.62588290
  H     19.32925014     12.15203597    -13.58713208
  O     22.98363795     14.43725934    -11.26178337
  H     15.29818397     11.61591676    -15.19184131
  H     18.17471222     11.11377237    -13.78925881
  O     20.22928382      8.45764487    -13.96409656
  H     15.67848970     13.08136441    -14.90821465
  H     18.21627367     14.42501609    -15.57725381
  O     18.36987418     12.03389019    -13.57914966
  H     18.65143033     12.04792577    -17.43887046
  H     17.71138338     13.27520124    -14.67978768
  O     17.40699502     13.99576710    -15.25649255
  H     17.50050039     12.80098865    -16.76296588
  H     16.16133429     12.79232511    -11.48138445
  O     17.04854998     13.16884710    -11.46702315
  H     18.46284753      9.86753893     -8.94588024
  H     17.53499344     12.73659666    -12.18838656
          69
 Energy    -249.09267277190810     
  O     13.01308442      6.23047582    -10.91605487
  H     13.70431126      5.63980504    -11.23783974
  H     18.21132550      6.48719205    -15.05606962
  O     16.36442371     10.58827251    -15.78956191
  H     13.38630414      6.77326318    -10.21110567
  H     15.45043744      8.51630059    -11.73453135
  O     17.65222258      9.25862987    -13.73335472
  H     16.13035133     11.33334151    -15.22303170
  H     15.93430437      9.04831980    -13.08108361
  O     15.45214077     12.59061038    -13.96179819
  H     15.54033545     10.11232176    -15.96573746
  H     13.88034770      8.95281444     -9.25055235
  O     13.92435572      9.25445077    -16.29339585
  H     17.74986136      8.31348235    -13.91398111
  H     13.73330069      8.04134680     -8.00997762
  O     12.98329740     11.35598654    -14.81096002
  H     17.34219063      9.69045044    -14.53960104
  H     15.03797654      4.61057369    -13.04675827
  O     16.10649904      5.50302502    -17.29838951
  H     15.54680146     12.42635777    -13.01089532
  H     14.83081933      3.48094517    -12.01512080
  O     11.34092410      7.38349056    -12.67122936
  H     15.63070164     13.51980774    -14.09258250
  H     12.01838394      9.13892178    -12.48668127
  O     17.31784216      5.84646967    -11.45544288
  H     13.48844910     10.02996702    -15.90959484
  H     13.49570821      9.60267425    -12.48403218
  O     13.58760779      7.32216165    -14.34195790
  H     13.77565069      8.52609503    -15.67425800
  H     16.81674401      7.27860400    -10.54406978
  O     15.27212324      5.21350105    -14.70454922
  H     12.68578839     10.93118190    -13.99440666
  H     15.73858288      7.95927809     -9.61853542
  O     17.74657848      6.51700775    -14.20986141
  H     13.74515127     11.88778953    -14.55342164
  H     18.39476983      7.47084335    -17.15182022
  O     15.13737602      8.77534259    -12.61005829
  H     17.03700682      5.75128633    -17.23369662
  H     19.57100730      6.47159897    -17.26172685
  O     13.98894733      8.03977801     -8.92869400
  H     15.66831143      6.24581659    -17.73138276
  H     17.43194917      9.61120850    -10.69636110
  O     14.92654375      4.42705813    -12.09841230
  H     10.46234744      7.02094684    -12.60784214
  H     17.93146938     10.05502773    -12.08033293
  O     12.58042505      9.92101891    -12.42618531
  H     11.88618519      6.93404212    -11.99811311
  H     14.45628945      8.01181125    -19.22163107
  O     16.47765214      8.12493142    -10.21321484
  H     17.65312533      6.05428856    -12.33675758
  H     14.53706661      8.41275743    -17.73219316
  O     18.72803168      6.61078203    -16.83895556
  H     16.54968718      5.27885922    -11.59370245
  H     16.05427079     12.91077818    -10.61395131
  O     17.78056115     10.37444556    -11.17984964
  H     14.17577592      7.76644918    -13.70988941
  H     16.55336938     11.56167229    -11.17969300
  O     14.98711344      7.91414735    -18.43500110
  H     12.72324785      7.26688348    -13.91755063
  H     16.73689918      8.59162371    -18.11291322
  O     15.81563082     12.19927221    -11.20343532
  H     15.51921569      5.15452614    -15.63863131
  H     17.31276849      9.61555730    -17.12346821
  O     17.56426422      8.90086926    -17.72144295
  H     14.60923228      5.91753867    -14.63926364
  H     13.13618436     10.43690669    -10.73736398
  O     13.73145897     10.54746543     -9.98254923
  H     16.89160743      6.09106441    -14.35853201
  H     14.45087276     11.09702539    -10.31241010
          69
 Energy    -249.09243671224328     
  O     13.63571404      6.06814554    -17.30823608
  H     12.81800317      6.31626993    -17.72926218
  H     19.92280497      4.13020819    -16.43686751
  O     18.00580533      6.35929060    -12.90013640
  H     13.83573524      6.75907763    -16.64822237
  H     18.09370168      6.63037651    -18.37115977
  O     19.99352143      4.06480381    -18.26536161
  H     17.80534026      5.45759292    -12.61617653
  H     19.48002999      5.98008276    -18.27853076
  O     17.41234801      3.29548223    -18.37398033
  H     18.92944970      6.40191069    -13.17829051
  H     17.26154740      5.97070134    -14.63142141
  O     13.09037633      6.93165523    -10.05267244
  H     20.53284562      3.65144305    -18.93345244
  H     17.97503154      4.99109953    -15.56598661
  O     14.45542044      4.45650534    -12.92385353
  H     19.08872131      3.72041609    -18.37964860
  H     15.09088502      8.39306104    -15.36820464
  O     16.43137676      8.47220889    -12.35597525
  H     16.93885580      4.13868631    -18.36139995
  H     14.04253217      7.65013107    -14.51001522
  O     18.29226044      2.38371217    -14.26853076
  H     17.02096100      2.74230824    -17.68882804
  H     17.09997622      4.62423738     -8.66088932
  O     13.87962546      4.32958073    -10.17213527
  H     12.32237732      7.08025297     -9.50843873
  H     16.47176794      5.68978617     -9.58763040
  O     18.96420737      8.27443530    -15.81824377
  H     13.27415692      5.97521748    -10.02867620
  H     14.22807524      4.63295916    -16.24945133
  O     16.20639263      1.83428273    -16.19309405
  H     14.30840565      5.41264104    -12.88124401
  H     15.58694195      4.54991354    -15.51566848
  O     19.74523612      4.31148633    -15.50593664
  H     14.39329370      4.21201683    -13.85501974
  H     21.43548926      6.49599679    -13.90606275
  O     19.02511505      6.82578870    -18.20166932
  H     17.04077377      7.72552483    -12.48271441
  H     20.32726650      5.69382433    -14.63321491
  O     17.13106318      5.43885520    -15.42373836
  H     16.49234830      8.98746063    -13.16881868
  H     16.15856586      4.01196902    -12.44988608
  O     14.28896096      7.85943725    -15.42042663
  H     17.87775517      2.78394639    -13.49266026
  H     17.04003386      4.02139705    -11.18424963
  O     16.65021990      4.73701324     -9.49409291
  H     17.58083740      2.10674062    -14.85810235
  H     16.17463064      7.88893645    -10.54867917
  O     14.74686083      4.08031773    -15.65284163
  H     14.78240146      4.32194313     -9.83059927
  H     14.96012413      7.34882738     -9.76961108
  O     20.50543465      6.49879498    -14.11391304
  H     13.96389628      4.19109799    -11.12590496
  H     16.66980071      5.89139019    -17.13533492
  O     17.06094765      3.85279968    -12.13516647
  H     19.02296231      7.83075704    -16.67705511
  H     15.41139403      6.02175096    -18.01271886
  O     15.92539680      7.35744479     -9.78235565
  H     19.55693551      7.79449011    -15.23140977
  H     14.83558639      7.65702451    -12.56061625
  O     16.36704553      5.90966331    -18.05716674
  H     15.57580139      2.54996638    -16.00659232
  H     13.52729018      7.20910578    -11.86458353
  O     13.99365204      7.20030539    -12.70894207
  H     15.69645928      1.03160983    -16.27275631
  H     17.47875652      9.01257553    -15.31269528
  O     16.64914806      9.43026069    -15.01950117
  H     19.35625646      3.52741092    -15.08777841
  H     16.67267600     10.32686394    -15.34457682
          69
 Energy    -249.09201012025653     
  O     16.67229205     10.22627804    -16.96793484
  H     16.62087705      9.43332504    -17.51259768
  H     18.96030308      4.83780797    -15.66081708
  O     13.99691689      6.26890588    -15.42242577
  H     15.75792867     10.46384913    -16.76342076
  H     18.28443923      7.48087675    -18.11815549
  O     18.24419793      7.95849036    -12.29583906
  H     14.92206506      6.55118936    -15.33352531
  H     19.31492139      6.40184826    -17.76026107
  O     19.18792940      4.51023769    -17.45667979
  H     14.04059869      5.32360221    -15.60792308
  H     17.34413046      6.34645020    -15.10645512
  O     16.53359149      4.60558943    -17.94301819
  H     18.04060654      8.59813135    -12.99029099
  H     16.96517938      7.85465600    -14.97748463
  O     14.91732327     10.63717410    -10.67912876
  H     19.06693919      7.52659284    -12.55755396
  H     14.25598075     10.42190524    -15.02330957
  O     13.94904609      7.36532878    -12.89724430
  H     18.23968852      4.46568952    -17.67971848
  H     13.44406693     11.36042046    -15.94125050
  O     16.37094333      3.92728952    -13.69067852
  H     19.62793071      3.84864153    -17.98301275
  H     15.89173881      6.46024794     -8.28961685
  O     13.53544085      8.33395152    -10.27973211
  H     16.30312089      5.52276886    -18.13054800
  H     16.24713709      7.57108299     -9.31041807
  O     19.99359413      8.55333089    -15.44002230
  H     15.90026233      4.27854968    -17.29219447
  H     13.62659498      7.48353451    -16.80211049
  O     14.79646397      3.62515724    -15.87562304
  H     14.59707102     11.36429227    -10.15195518
  H     13.69394290      9.00684257    -17.00587347
  O     18.65805982      5.07810561    -14.77489009
  H     14.35421272      9.86806145    -10.47359798
  H     20.42437512      7.42866616    -14.22598259
  O     19.18823272      7.35749697    -17.80612729
  H     14.71403453      6.88274973    -12.54994793
  H     21.42865117      6.73578097    -13.26714986
  O     16.66379993      7.00140681    -15.30802204
  H     13.73451910      6.95643991    -13.74536829
  H     16.00172825      6.15084876    -10.88784666
  O     14.02982991     10.60683945    -15.94847429
  H     16.20309496      4.56234605    -12.98354772
  H     16.90437685      6.66775305    -12.03752917
  O     15.67666598      6.79593723     -9.15531159
  H     17.24321967      4.16491374    -14.03534357
  H     17.62860504      8.69353077    -10.68027846
  O     13.71372435      8.16799073    -17.48066257
  H     13.45787192      7.95884608    -11.16774621
  H     16.50994086      9.63819850    -10.17227970
  O     20.50665870      6.77627120    -13.50426265
  H     14.11882702      7.73846253     -9.79252392
  H     14.52630284      9.02455567    -13.25643146
  O     16.16861452      6.07381895    -11.83588367
  H     19.75426883      8.19460071    -16.30871863
  H     14.89484197     10.32778214    -12.50246399
  O     17.13859200      8.96240114     -9.89158248
  H     19.27407402      9.13162255    -15.17401046
  H     16.57473329      9.77863906    -13.98316410
  O     14.87112313      9.92225489    -13.37799986
  H     14.38600416      2.76474190    -15.87538658
  H     17.27420523      9.90385048    -15.35181948
  O     17.40942967      9.59896479    -14.43955482
  H     15.33948785      3.67878818    -15.06779825
  H     16.52063447      7.29999750    -17.08153696
  O     16.32577337      7.50339429    -18.01107462
  H     19.37270024      5.54835143    -14.32913587
  H     15.38507075      7.73617065    -18.03290327
          69
 Energy    -249.09158582048255     
  O     11.04222120     10.76679688     -8.74550750
  H     11.18076216     11.34821084     -9.50523051
  H     12.69719914     11.61289452    -10.89509795
  O     12.03923214      7.24132575    -16.49464195
  H     10.81537857      9.90554704     -9.11300958
  H     16.48300622      8.23387175    -11.74285349
  O     10.80195018      8.13460691     -9.92074865
  H     12.21525045      6.71158691    -17.26718863
  H     18.02019527      8.37398878    -11.85113838
  O     13.12059315      7.62211169    -13.91643230
  H     12.18784200      8.17015205    -16.74890028
  H     14.51732682      7.40817051    -11.14535161
  O     14.35724779     13.48019610     -7.68458691
  H     10.41613868      7.40223191     -9.44639635
  H     14.45839669      7.29266392    -12.68165930
  O     12.36891133      9.91083651    -16.92123085
  H     11.76736545      8.05780613     -9.82500217
  H     13.71222351      9.03645723    -10.10648329
  O     10.81151889      8.56156992    -12.68740313
  H     12.83226345      7.33315822    -14.79100796
  H     13.95572781      8.12484082     -8.88357815
  O     14.84092789      8.58327723     -7.34453943
  H     12.31978537      7.85989795    -13.42561212
  H     16.51020329     10.31806261    -12.51129602
  O     14.21347650     10.64765551    -10.71259477
  H     14.29515298     14.22360492     -7.09125917
  H     16.11339094     11.83783046    -12.58719183
  O     13.38237071     10.83265766     -7.26553490
  H     14.06007635     13.79272050     -8.55809242
  H     10.73613395     11.21087038    -14.32113649
  O     16.22260358     13.43691889    -11.63659393
  H     12.96683694     10.16422578    -16.20410404
  H     12.20261260     10.97768729    -13.87568622
  O     11.91741252     12.17504949    -11.02526321
  H     11.52230283     10.32700779    -16.71725693
  H     15.73169582     12.53754092     -8.55181638
  O     17.23004952      8.84239979    -11.59354739
  H     10.93026530      9.50744770    -12.85224723
  H     16.62063036     11.29949185     -8.97992584
  O     15.06485239      7.27403826    -11.93003558
  H     10.70718310      8.43380588    -11.73741520
  H     13.63972106      9.34961052    -14.29136710
  O     13.52591334      8.15410248     -9.74780563
  H     14.90019094      8.20525463     -6.47184808
  H     14.57840510     10.57141768    -14.07953708
  O     15.91626161     10.95568582    -12.92990690
  H     14.32615200      9.40904788     -7.26106110
  H      9.02497264     11.12533977    -16.30462724
  O     11.31484841     11.18934487    -13.54945889
  H     14.78889293     11.10938075    -10.09025965
  H      9.64718359      9.84506474    -15.69549780
  O     16.22803090     12.13479761     -9.27390250
  H     14.67879903     10.65606663    -11.55814463
  H     16.37773032      9.14723110     -8.32906068
  O     13.76078954     10.28555284    -14.50628978
  H     12.52760299     10.79638983     -7.72041381
  H     17.11056439      9.26166516     -9.69977775
  O      9.81935793     10.78050225    -15.90646885
  H     13.66945322     11.75090875     -7.30331975
  H     12.97022122     13.61792807    -10.55619292
  O     17.07881367      9.61327485     -8.80143391
  H     16.32667402     13.00908099    -10.76671173
  H     14.42680332     14.03973945    -10.84962416
  O     13.69471005     14.17660159    -10.23962944
  H     16.88939204     14.11708272    -11.69086557
  H     10.34141321      7.69715227    -15.67928845
  O      9.63162604      8.15288170    -15.21015708
  H     11.58711387     11.97233403    -11.90958721
  H      9.90020136      8.17199100    -14.28095844
          69
 Energy    -249.09142397391804     
  O     14.22994550      4.70994075    -10.10160282
  H     15.18743057      4.80284051    -10.20611171
  H     13.71861542      7.85387877    -14.59801843
  O     15.46628982      7.65874009    -16.87704754
  H     13.90127403      4.37606611    -10.94394618
  H     15.30709083     10.76926817    -11.95720224
  O     17.67611084      9.58533935    -13.89161189
  H     14.60533403      7.57751374    -16.43461231
  H     16.52860303      9.97935074    -12.55498344
  O     14.05732427     12.04426458    -12.31993643
  H     15.33058406      7.40945348    -17.78814434
  H     14.93332624      8.68583390    -12.62521757
  O     11.76684286      5.86476985    -13.74091931
  H     18.53502680      9.64308681    -13.45452075
  H     13.65449668      7.80631698    -12.48320514
  O     19.64277996      5.59168444    -10.95020809
  H     17.58702650      8.67640477    -14.21202759
  H     14.44769312      4.42263871    -13.06193610
  O     16.22949471      8.10096056     -9.86618173
  H     14.00597458     12.01939646    -13.29410338
  H     13.80266591      3.02148878    -13.15476539
  O     11.79593151     10.24354085    -12.34454776
  H     14.00238779     12.96057321    -12.06344742
  H     19.69770653      9.08694688    -11.56886729
  O     19.83631922      6.71268667    -13.41540358
  H     11.70703071      6.43393191    -12.96088683
  H     20.77786318      9.97187703    -12.23812649
  O     13.83695495     11.78364933    -14.97693347
  H     12.29665766      5.10840037    -13.46192743
  H     16.26776838      5.47419664    -12.33407964
  O     11.66903142      9.93818986    -15.21459093
  H     19.73177383      5.91293505    -11.86561804
  H     15.31897886      6.40869415    -13.12866645
  O     13.16168504      7.59642071    -15.35080930
  H     20.39007541      5.02457472    -10.78175507
  H     16.64011280     10.24331350    -15.31547840
  O     15.87868482      9.99981015    -11.83767413
  H     16.11359632      8.81420247    -10.51193458
  H     15.82751999      9.51772857    -16.40239641
  O     14.46468477      7.93084859    -12.99769194
  H     15.34927548      7.89057539     -9.53231010
  H     16.87820173      7.15888080    -15.69786282
  O     13.65853471      3.90615113    -12.82708893
  H     11.65865306     10.18603167    -13.29841149
  H     16.92823998      6.38978142    -14.36092077
  O     20.03984906      9.39870163    -12.42601324
  H     12.51338983     10.87576010    -12.22112723
  H     19.31725187      7.36332507    -10.25115883
  O     15.82018674      5.57853686    -13.18553520
  H     20.02639398      7.63437511    -13.19892552
  H     18.14376155      8.30081864     -9.89195143
  O     15.97631161     10.38177687    -16.00374071
  H     19.11367798      6.73005784    -14.05521182
  H     17.83552512      5.39830304    -10.68195834
  O     17.44025439      6.97815591    -14.93499764
  H     13.06573008     11.24155122    -15.17807677
  H     16.69057144      6.40752302    -10.38109740
  O     19.07722684      8.29149285    -10.13640518
  H     14.59486430     11.35159444    -15.39887046
  H     13.24315733      7.12679173     -8.28755392
  O     16.87626364      5.49237771    -10.64028900
  H     10.87501917      9.88010415    -15.74049525
  H     13.76333554      6.25992364     -9.45907775
  O     13.59875623      7.17669184     -9.17144100
  H     12.15056149      9.10589321    -15.34425891
  H     11.91305725      8.58754632    -11.71684713
  O     12.12023082      7.65233074    -11.55764085
  H     12.58408203      6.90670609    -14.99149796
  H     12.50173959      7.56955551    -10.67616433
          69
 Ord_Energy   -249.091324    
 O   -11.8755054      -6.55471849       9.84012508    
 H   -12.4384508      -6.72382164       9.06233788    
 H   -12.2820101      -7.00168705       10.5776043    
 O   -9.19813442      -2.82722306       10.3194885    
 H   -10.0579023      -3.12620139       9.97809315    
 H   -9.27023411      -1.88282895       10.4285889    
 O   -11.9285851      -5.60819769      0.681186020    
 H   -11.8700476      -5.99603653       1.56651139    
 H   -11.0375957      -5.30222940      0.471244693    
 O   -9.08836842      -5.27848959       3.13980126    
 H   -9.03002262      -5.03325081       2.20779896    
 H   -10.0034294      -5.55306959       3.28407049    
 O   -10.1501160     -0.996681631       3.80157638    
 H   -9.43020821      -1.62124169       4.01524878    
 H   -9.79258156     -0.118103422       3.89304376    
 O   -11.1064949      -7.01987696       5.91659403    
 H   -10.8382540      -6.12799311       6.18923616    
 H   -10.3693008      -7.60829878       6.11740732    
 O   -10.8468599      -2.21634984       1.32999837    
 H   -10.6588116      -1.74846900       2.15270019    
 H   -11.7733364      -2.48200035       1.35998738    
 O   -9.15724754      -7.09122849       9.03888226    
 H   -10.0513458      -6.90831470       9.35050201    
 H   -8.61902332      -6.31685162       9.24205589    
 O   -14.9333754      -4.98410368       6.23408175    
 H   -15.8740549      -5.04984856       6.08757830    
 H   -14.5393877      -4.72594357       5.38422823    
 O   -7.43517065      -6.39711237       5.17767620    
 H   -7.96703434      -6.14701748       4.41014957    
 H   -7.87332201      -7.14659309       5.59771967    
 O   -8.81856632      -8.39810944       6.69757938    
 H   -8.56419563      -9.30214119       6.85966396    
 H   -8.89445686      -7.96447515       7.56753254    
 O   -13.4604530      -3.43904042       1.25246406    
 H   -14.0946407      -3.24650574      0.567031503    
 H   -12.9732513      -4.23466778      0.969652951    
 O   -8.33314610      -2.86033273       4.38358498    
 H   -8.58096123      -3.67842960       3.93128633    
 H   -7.95730448      -3.13399529       5.22920465    
 O   -9.36501408      -4.33641052      0.503047168    
 H   -9.83688831      -3.52665281      0.771110952    
 H   -8.76905632      -4.08966684     -0.198534086    
 O   -11.4794950      -3.86150265       9.24146938    
 H   -12.2590475      -3.50031233       8.79288006    
 H   -11.6857805      -4.75611591       9.54150581    
 O   -13.6264887      -4.11562634       3.96804190    
 H   -13.7006092      -3.82649899       3.05036545    
 H   -13.0211535      -3.50395012       4.41664553    
 O   -7.51115942      -4.79758739       9.51735878    
 H   -6.75275850      -4.84928894       10.0937157    
 H   -8.06696415      -4.07088900       9.84864712    
 O   -13.3108473      -6.91219997       7.59210396    
 H   -13.9175215      -6.29703569       7.16516781    
 H   -12.5999231      -7.07203531       6.95444202    
 O   -7.61369991      -4.18038368       6.74537373    
 H   -7.44416857      -4.37112761       7.67372656    
 H   -7.42581892      -4.98729563       6.23648596    
 O   -13.4989414      -2.92330694       7.65375090    
 H   -14.0855341      -3.59961653       7.29518127    
 H   -12.9982262      -2.59447813       6.89463806    
 O   -10.3889151      -4.46446848       6.71469450    
 H   -10.7100115      -4.27699566       7.60617542    
 H   -9.43033314      -4.34242868       6.71167183    
 O   -11.8758717      -2.55101919       5.36486673    
 H   -11.2782230      -3.20602703       5.75657988    
 H   -11.3355818      -1.92801154       4.86578465    
 O   -11.7571440      -6.15547800       3.41606379    
 H   -11.5767021      -6.62612534       4.24150324    
 H   -12.4189453      -5.48435640       3.62744880    
          69
 Ord_Energy   -249.091202    
 O   -6.42479086       4.65567827       9.15681744    
 H   -5.95231342       5.45924664       8.88936329    
 H   -5.73961496       4.01686954       9.39479351    
 O   -7.81712437       6.46554613       5.18425608    
 H   -7.27087402       6.43736124       4.38950396    
 H   -7.69212294       5.64137697       5.67260265    
 O   -6.00560188       6.50854015       3.04061508    
 H   -6.11390591       6.67090321       2.10686922    
 H   -5.64728260       5.60891247       3.13179970    
 O   -4.14287567       4.95645475       6.09400702    
 H   -3.40157127       5.55877352       5.94557190    
 H   -4.49397993       4.73182440       5.22385311    
 O   -10.3796864       4.79541588       7.61419535    
 H   -11.2732239       4.47017002       7.67723513    
 H   -10.4256201       5.66917706       7.18513918    
 O   -4.29417038       2.26361203       6.70197630    
 H   -5.11810923       2.08932376       6.23269129    
 H   -4.13269520       3.21675014       6.61100817    
 O  -0.657922924       5.11989307       4.40256310    
 H   0.101539552       5.51636267       3.98381877    
 H   -1.17284417       5.84727287       4.79497957    
 O   -2.03442955       1.24496007       5.56273937    
 H   -2.85354948       1.51495874       6.01343060    
 H   -1.93928015      0.305929065       5.69729948    
 O   -2.21767306       6.93755865       5.63807869    
 H   -2.11352420       7.06230021       6.59413576    
 H   -2.93920088       7.50413465       5.32762814    
 O   -5.07321358       4.02691889       3.59766984    
 H   -4.18045902       3.67001486       3.46091962    
 H   -5.62304974       3.34051847       3.99319601    
 O   -4.48007441       8.26215744       4.79147339    
 H   -5.13751030       8.55031776       5.43633270    
 H   -4.96200132       7.73741436       4.14163303    
 O   -10.1866188       7.24629021       6.46910286    
 H   -9.45669746       7.05955696       5.86181355    
 H   -9.82464886       7.84775877       7.13198185    
 O   -2.25627422       6.95260477       8.36805248    
 H   -3.21876740       7.00838995       8.44547367    
 H   -2.02020264       6.08203316       8.71169281    
 O   -8.75949574       8.62604523       8.55133057    
 H   -9.03199100       9.26208973       9.20732021    
 H   -8.71825886       7.76282978       9.00052929    
 O   -2.50265551       3.15096688       3.47493172    
 H   -1.85680401       3.83693147       3.68813968    
 H   -2.30246615       2.41387510       4.06436682    
 O   -8.76831627       6.11760759       9.62474346    
 H   -7.95889759       5.58866119       9.64069843    
 H   -9.39895821       5.60940456       9.10192966    
 O   -5.03405619       6.71549749       8.06158161    
 H   -5.55237865       7.41392756       7.64319229    
 H   -4.78105450       6.09350109       7.36197805    
 O   -7.78480339       4.12149525       6.79543829    
 H   -7.26473236       4.26273155       7.60042191    
 H   -8.71280384       4.23448896       7.04000139    
 O   -4.22884226       3.00510144       9.43657303    
 H   -4.26807737       2.55423546       8.58383942    
 H   -3.37953758       3.46439695       9.44020748    
 O   -6.66553545       2.26193857       5.15764666    
 H   -7.11736107       2.89982796       5.73813009    
 H   -7.30369520       1.58939707       4.93464756    
 O   -1.65588963       4.27178383       9.16368103    
 H   -1.29630768       3.97899580       8.30805111    
 H  -0.971768141       4.11625051       9.81095791    
 O  -0.699265838       3.46558547       6.74116802    
 H   -1.03582048       2.63894391       6.37516642    
 H  -0.584627926       4.05470753       5.98623514    
 O   -6.64560556       8.50627232       6.67883205    
 H   -7.05565500       7.82242393       6.12816334    
 H   -7.30883360       8.73112297       7.34314966    
          69
 Energy    -249.09112299693714     
  O     15.01688737     10.24794416    -15.75566147
  H     15.84482694      9.75552611    -15.70187467
  H     13.53762515      9.43814446    -15.12169163
  O     17.24743733     10.60600682    -12.96670462
  H     15.16161593     11.06114178    -15.25619067
  H     16.28420568      8.83462296    -10.60347332
  O     13.39082042     10.64681313    -10.03734121
  H     17.25964873      9.95269096    -13.68180217
  H     16.27624985     10.05690795    -11.56729181
  O     11.73419502      6.45248059    -14.42328466
  H     16.73957341     11.35834589    -13.29506501
  H     13.89179904      7.30172791    -11.86981761
  O     19.64132945      5.12938363    -13.50223222
  H     14.26219046     10.26910679    -10.24471988
  H     14.75824425      8.58636808    -11.95954037
  O     13.72967723      4.68970436    -14.92531877
  H     13.41545223     10.89419435     -9.11618431
  H     15.50267147      4.39172983    -12.21690378
  O     17.21883016      7.30112860    -10.39129715
  H     12.02320482      7.34928659    -14.63863851
  H     14.28881686      4.18351690    -13.15063261
  O     11.14102759      9.33141284    -11.24551552
  H     11.36205368      6.49546815    -13.53416798
  H     18.61236197      8.31933754    -11.20359282
  O     19.95430593      7.84867938    -14.16315113
  H     20.49393041      4.77887933    -13.25497296
  H     18.60770726      9.60506446    -12.06222827
  O     13.29597191     12.21465493    -12.42574678
  H     19.80115191      6.03782091    -13.79901141
  H     15.13829633      7.14627168    -13.75234163
  O     11.09021719     10.88863468    -13.61812968
  H     12.96933697      5.27905962    -14.77144899
  H     15.07278205      5.97441541    -14.76233831
  O     12.82702055      9.05139642    -14.59015088
  H     13.48986931      4.11232828    -15.64471538
  H     14.69125561     12.42700789    -13.43017744
  O     15.77379937      9.61229234    -10.87022506
  H     17.19475291      6.61711043    -11.07591977
  H     15.54826509     13.41530520    -14.25526512
  O     14.22034348      7.97629673    -12.47764726
  H     16.61281699      7.00779733     -9.69583382
  H     16.77776680      7.95138172    -14.90221358
  O     14.57427112      4.12192144    -12.23082296
  H     10.99494391      9.90127709    -12.01087687
  H     18.25612601      8.40642878    -14.90967940
  O     19.15954340      8.86135569    -11.78677342
  H     11.89551980      9.70672640    -10.77600106
  H     10.89146008      7.64236558    -11.52475682
  O     15.65254533      6.66447730    -14.41903233
  H     19.73335606      8.19026643    -13.27680653
  H      9.91299402      6.44722564    -11.43306949
  O     15.47118623     12.49747562    -14.00918626
  H     20.73436687      8.31633174    -14.45062340
  H     16.65875201      5.82934392    -13.15448636
  O     17.35378663      8.71983184    -15.03670770
  H     12.49956331     11.87926440    -12.85611200
  H     17.99508429      5.16887029    -12.73968425
  O     10.78916763      6.69267334    -11.71834960
  H     13.32873451     11.78654540    -11.56215252
  H     15.02421126      5.92023216     -7.99988221
  O     17.10929394      5.38771451    -12.42061544
  H     10.42192776     11.12685067    -14.25452800
  H     14.45915475      6.34876827     -9.36233132
  O     15.16233504      6.53253831     -8.71847426
  H     11.67005911     10.23363837    -14.04706591
  H     12.39722994      6.10451271    -10.97692947
  O     13.32086219      6.00203021    -10.71960460
  H     13.24486768      8.71651970    -13.78175146
  H     13.69801337      5.25544180    -11.21368395
          69
 Energy    -249.09099338863916     
  O     13.06930334     12.03536903    -14.49861932
  H     13.99384105     12.29638461    -14.56945203
  H     17.33467509      6.64966640    -16.69313216
  O     15.05188117      6.54278222    -13.54113520
  H     12.91584058     11.37437085    -15.18804842
  H     16.33065956     13.40338681    -14.19101234
  O     18.25663828      8.98524586    -12.52306727
  H     15.99027159      6.32561421    -13.48454897
  H     16.01659699     11.98810225    -13.65237468
  O     16.78602556     10.55133540    -16.27464895
  H     14.66030127      6.11963040    -14.31986961
  H     15.73847899      9.34276549    -15.21451969
  O     11.50558706      7.41802491    -15.52025770
  H     18.51099942      8.84314095    -11.60263156
  H     15.12495341      8.18549784    -14.30704214
  O     16.05710206      8.77203277     -8.91208251
  H     17.49840113      9.58533917    -12.50252386
  H     12.41855604     11.42078125    -12.99745731
  O     13.67181552      7.22974765    -11.29777624
  H     16.57201977     11.33060215    -15.74857043
  H     11.30454210     11.57880705    -11.94016378
  O     15.97718461     10.60482749    -12.51339138
  H     17.63777637     10.20465402    -15.96929450
  H     17.71528831      5.81703829    -11.53305669
  O     15.83243229      6.76958392    -17.74297615
  H     10.62606211      7.08421985    -15.67609961
  H     18.07922713      6.63195559    -10.27847854
  O     15.23185850      6.04873055     -9.27560994
  H     11.53566871      7.69328484    -14.58546229
  H     11.70974816      9.21050161    -12.73364246
  O     13.86006297      5.80593766    -15.85636777
  H     15.38667362      9.30033665     -9.36334393
  H     12.22382338      7.81851227    -12.32472575
  O     18.14678161      6.58672446    -16.16711581
  H     15.71227165      7.87004332     -8.89126086
  H     18.77184149      8.33624543    -15.58356965
  O     15.93701902     12.56753669    -14.42930384
  H     14.06933412      6.74604045    -10.56466233
  H     18.86078010      9.18849893    -14.29622305
  O     15.05424518      9.11112068    -14.57292813
  H     14.15880150      6.96566242    -12.09447349
  H     17.98747745      6.31423746    -14.30714299
  O     12.04486863     11.03066546    -12.18807780
  H     15.41092540     10.46376263    -11.74490704
  H     17.95596522      7.27217111    -13.08719527
  O     17.61485030      5.83820961    -10.57344834
  H     15.58046289     10.07883680    -13.22808095
  H     19.22024661      8.67068436     -9.12381354
  O     11.64593114      8.27344049    -12.95111867
  H     15.74968671      6.34439712    -18.59337798
  H     17.70877768      8.62657824     -9.45484584
  O     18.94170878      9.22829917    -15.25863106
  H     15.53795544      7.69018447    -17.86636247
  H     14.18641530      9.52462581    -17.54110506
  O     17.79747379      6.35584482    -13.36250975
  H     16.06257597      5.88469102     -9.75703698
  H     15.69219105      9.85781468    -17.55922480
  O     18.59671404      8.42329387     -9.80108130
  H     15.11749871      5.32241580     -8.66886528
  H     13.95357992      8.96212049    -10.85064046
  O     15.01507253      9.31685457    -17.99172014
  H     14.43150993      6.14794691    -16.55340488
  H     13.37135498     10.37976501    -11.02957496
  O     14.09529580      9.89276288    -10.61653399
  H     13.05680342      6.34295847    -15.84890256
  H     12.28203181      9.04451632    -16.08781857
  O     12.90850630      9.77402123    -16.15851605
  H     18.76824242      6.08398130    -16.69013938
  H     13.62697346      9.54730126    -15.54452667
          69
 Energy    -249.09095511865127     
  O     12.22699264     12.35632403    -13.16078100
  H     11.88436070     13.21872564    -12.93787928
  H     19.17076017     12.62922023    -16.71698155
  O     19.15273298      9.75837957    -12.11999942
  H     13.01055004     12.50296001    -13.71586190
  H     13.16558312      9.27009077    -16.46954554
  O     15.56611716     10.32869123    -11.14826482
  H     18.94949393      9.77480324    -13.06794749
  H     11.93407471     10.17529729    -16.30882621
  O     10.86459851     10.44758985    -14.86396633
  H     18.77849852     10.57178812    -11.76641042
  H     16.54514761     10.14492049    -14.14959412
  O     14.10386640      8.27692956    -15.08703407
  H     15.86938898      9.41530484    -11.03435785
  H     15.56846659     10.23040097    -12.94117647
  O     14.87131284      6.25736746    -13.25202493
  H     16.32084900     10.92724650    -11.09099736
  H     13.62633971     11.28474038    -17.34768554
  O     18.71529813      7.13731979    -11.69900777
  H     11.01837809      9.63245027    -14.36801402
  H     13.91948167     12.51334309    -18.24439275
  O     14.49042496     12.56500405    -14.73499624
  H     11.21558723     11.15434634    -14.30963283
  H     13.04797532      8.51235808    -10.39173240
  O     16.03128723      7.60863851    -11.07175043
  H     13.27212369      8.25051187    -14.59012427
  H     14.28890237      7.60926928    -10.22707033
  O     16.77636545     10.73729704    -17.58656127
  H     14.63690835      8.98066489    -14.68081293
  H     18.48029153     10.68744741    -15.22309013
  O     17.52443508      6.37736609    -14.25888758
  H     14.62627331      6.88826556    -13.94195564
  H     17.88925477      9.24538656    -15.32531249
  O     18.47535433     12.27831266    -16.16717125
  H     14.04500589      5.94074656    -12.86742612
  H     17.63921927     13.01353794    -14.61568990
  O     12.65762961      9.95650639    -16.91518277
  H     19.47454213      6.71247786    -11.30943659
  H     16.20144037     13.20747064    -14.10884974
  O     15.61318238     10.20693351    -13.90532966
  H     18.94022343      8.08010812    -11.79968393
  H     18.00320562     12.82690062    -10.82030453
  O     14.24624103     12.02334284    -17.49474728
  H     14.88241623     11.71909396    -14.46440655
  H     17.51740551     12.54110584    -12.25851863
  O     13.32813204      7.62807507    -10.12541826
  H     14.39077307     12.51965137    -15.69409744
  H     12.54726433     10.93245888    -11.95288221
  O     18.28378350      9.88715573    -14.71984655
  H     16.97139303      7.39748687    -11.13189899
  H     13.78338588     10.28258684    -11.29637149
  O     17.12479900     13.23606682    -13.82984036
  H     15.61992681      7.17411157    -11.83251483
  H     17.12786092      7.42333559    -15.69009394
  O     17.70534442     12.12818375    -11.39721404
  H     16.71469673      9.81028422    -17.33120540
  H     15.80201961      8.08216642    -16.08210378
  O     12.84425766     10.14033353    -11.48813542
  H     15.88108200     11.09915641    -17.60603899
  H     11.90301652      7.41179881    -12.96021331
  O     16.74813195      8.10778508    -16.26557060
  H     18.03645771      6.61323209    -13.47716265
  H     12.25415700      8.89958039    -12.69720774
  O     11.93528293      8.28222903    -13.37303715
  H     16.65869358      6.11225937    -13.92172734
  H     11.85707815      5.15444801    -11.59117765
  O     12.37647064      5.86481747    -11.95706433
  H     17.86901432     11.79101724    -16.75488634
  H     12.66181344      6.42342178    -11.21109690
          69
 Energy    -249.09072968994528     
  O      8.05038910     -8.60522168     -4.92046348
  H      8.49292476     -9.41352209     -5.20253519
  H      4.45951469    -11.61656654     -2.14678981
  O      5.49295553     -8.54002899     -3.81973085
  H      8.60874210     -8.21943902     -4.23340251
  H      6.08876780    -12.63320204      1.43462230
  O     12.27995590     -7.85479272     -0.11184631
  H      6.32267605     -8.55441660     -4.32421843
  H      6.11212090    -13.91251694      0.56623595
  O      7.19968957     -8.98048850      1.16115158
  H      5.07515504     -9.39638892     -3.95200462
  H     10.26802981     -9.83353624      1.56764316
  O      6.93604309     -8.64308043     -1.52030955
  H     11.73911364     -7.08943776     -0.34568672
  H      8.79370214     -9.88181800      1.08283249
  O      7.40522551    -11.34987266     -1.65490137
  H     11.98751995     -8.56816901     -0.69420776
  H      9.78260308    -11.24930431     -6.40737201
  O     10.80600605     -9.83803783     -1.54238709
  H      7.05424041     -8.72541494      0.23547622
  H      9.81064112    -11.38929358     -4.86560905
  O      7.06632571    -12.17439435     -4.27067210
  H      6.49971702     -9.60768665      1.37143713
  H      8.46040957     -7.93959796     -2.15069015
  O     10.27309038     -5.86692758     -0.59922694
  H      6.32222581     -8.47411029     -2.24992197
  H      9.65665694     -6.97118483     -1.98443253
  O      7.29078713    -14.61808121     -2.87681046
  H      7.19442027     -9.57421545     -1.59768922
  H      8.21977519    -13.11816734      0.64337196
  O      9.10569503     -6.91211435      1.63771416
  H      6.49200192    -11.56434815     -1.41998455
  H      9.33827254    -12.02458354      0.56490862
  O      4.66708155    -11.86774434     -1.23723072
  H      7.98098281    -11.85833730     -1.07277596
  H     12.03122652     -8.54621421      3.02283871
  O      6.58765293    -13.44034144      1.26139738
  H     10.30059875     -9.12283839     -1.95721461
  H     11.79811487     -8.29170994      1.51262043
  O      9.65058011    -10.32573820      1.01327622
  H     10.38070814    -10.02856321     -0.69637383
  H     10.62355042    -14.88109627     -1.69103290
  O      9.25578348    -11.12530200     -5.62307484
  H      7.31091153    -11.84330785     -3.39168678
  H      9.68413033    -13.78395168     -1.13621814
  O      9.32356821     -7.69975674     -2.52174318
  H      7.75041753    -11.86436369     -4.87641251
  H      3.91723107    -11.52226045     -4.70904092
  O      9.00877531    -12.83700262      0.15617696
  H      9.79554718     -6.17886525      0.18998083
  H      5.37640039    -11.62929417     -4.20593032
  O     11.36192435     -8.55101049      2.34471407
  H     10.27044182     -4.91416456     -0.56331293
  H     10.45935352    -12.70703692     -2.97955485
  O      9.95883808    -14.24682168     -1.94772513
  H      7.18934276    -13.88981622     -3.50353960
  H     10.77345420    -11.20176230     -2.77021432
  O      4.49189513    -11.29044528     -3.98369529
  H      8.21700771    -14.60256824     -2.60579958
  H      4.29476128    -10.79924712      1.81988333
  O     10.63602459    -11.88207554     -3.44412792
  H      8.35898395     -7.52186180      1.58616952
  H      4.84578958    -11.16501284      0.42556901
  O      5.10469594    -10.94941846      1.33682933
  H      9.82852888     -7.40931029      2.04073606
  H      4.82619287    -15.39862225     -1.08039680
  O      5.30177549    -14.57307966     -1.04710300
  H      4.75018250    -12.83209225     -1.21071220
  H      6.02284714    -14.63809242     -1.69932177
          69
 Energy    -249.09071267871673     
  O     -0.86691793      4.15627588      3.19298139
  H     -0.30639101      3.42705923      3.48321347
  H      0.50132337      1.91174836      0.48816207
  O     -2.90986447      5.47238002     -0.14327652
  H     -1.56650949      3.77051933      2.64693546
  H      0.53746019      8.39952726     -1.51620539
  O      4.24844546      6.26725652     -0.28433301
  H     -2.81270470      6.20367948      0.47805208
  H      0.52013789      8.77759190     -3.01895144
  O      2.25292507      7.33443883      1.37238822
  H     -2.16630458      5.57554705     -0.75853614
  H     -2.60661913      0.56090526     -0.78555157
  O     -0.62522288      5.76864648     -1.54713397
  H      5.09535456      6.59143618     -0.57970002
  H     -1.11289885      0.56877824     -0.40729450
  O      1.65742033      2.98113888     -0.34753213
  H      3.71158352      6.12215400     -1.08389300
  H      3.23577113      3.93879213      2.70653136
  O      0.53589896      5.18388711      0.88360900
  H      3.02763029      7.02657261      0.88406883
  H      2.15999293      3.28435077      3.59995341
  O     -2.13502532      7.66582266      1.55679464
  H      2.39683226      7.18629489      2.31647008
  H     -3.60914462      4.20401546     -1.44456048
  O     -0.59985304      6.84541917      3.65298257
  H     -0.21084389      5.62410321     -0.68045653
  H     -3.00286247      3.16815125     -2.43345064
  O     -2.50113834      3.09198212      1.26270125
  H     -0.27591701      6.59494810     -1.90241838
  H     -1.74503817      1.65911423     -4.04074597
  O      0.17524449      8.70931786      0.13622981
  H      1.45747317      3.12896102     -1.28017767
  H     -1.52771349      1.47521940     -2.52399042
  O     -0.18441627      1.46957129      1.01243922
  H      1.33700175      3.76724259      0.12308689
  H      0.82114732      1.12436189      4.09750102
  O      0.70391566      8.06271941     -2.41616904
  H      1.12923473      5.91434534      1.10149341
  H      0.50870716      1.63146005      2.67265412
  O     -1.72141639      0.40413408     -1.13821552
  H      0.10056125      4.90566480      1.69691020
  H      0.09364474      3.14108552     -3.13730027
  O      2.72987969      4.05582127      3.52517481
  H     -2.73514640      8.33350928      1.88165340
  H      0.23240048      4.49777955     -2.45213233
  O     -3.80363344      3.40486306     -1.94954155
  H     -1.58870671      7.39985746      2.31767409
  H      2.74753424      6.89625265      4.84096901
  O     -1.50829989      2.12924595     -3.24443066
  H     -0.78454307      5.89398333      3.65435976
  H      2.42332218      5.69659454      3.91886026
  O      0.80272651      1.90939583      3.55601849
  H      0.33876533      6.91924463      3.85617272
  H      4.16542414      4.58728133      0.62161502
  O      0.75293998      3.79056756     -2.86522200
  H     -2.63874487      3.91572064      0.77301518
  H      3.29792895      3.32422390      0.52101240
  O      2.25906093      6.64759969      4.06133645
  H     -3.15801717      2.46555985      0.93741237
  H     -5.13237621      1.09455953     -0.13996885
  O      3.96079590      3.75995130      1.07295057
  H      0.92126441      8.34716532      0.63609551
  H     -4.18629523      2.09176626     -0.85498823
  O     -4.22805021      1.39281927     -0.17647860
  H     -0.62492310      8.38850452      0.56702333
  H      2.04785768      6.70702029     -2.52743167
  O      2.65392427      5.95792882     -2.45961797
  H     -0.94906684      2.06217225      1.04844997
  H      2.16008480      5.17980919     -2.74212997
          69
 Energy    -249.09070051237393     
  O     11.17138385     10.70764930    -11.94171960
  H     10.65247107     10.20275598    -12.58210296
  H     16.26537118     11.85873258    -15.25301174
  O     13.74098533      7.61279108    -15.23499482
  H     11.83441105     11.18342950    -12.45529524
  H     16.45124179      9.50335678    -14.53818022
  O     17.38629933     11.07499081    -10.66456480
  H     14.06463650      7.15022175    -16.02088725
  H     15.56160789      9.48699816    -13.27869694
  O     17.84270298      8.78746724    -17.01178533
  H     14.47137416      8.15850862    -14.90329575
  H     11.49672056      9.55981235    -10.66212432
  O     12.07264822      9.74422427    -15.43860066
  H     17.38159158     11.90682239    -10.19873926
  H     11.15081328      8.99346191     -9.26273017
  O     13.96559686      6.33181146    -12.80904573
  H     16.52290149     10.99435072    -11.10770120
  H     19.51125774      6.87872760    -11.22379587
  O     15.01617004     10.53046684    -11.85831759
  H     17.82170217      7.87155812    -16.71149899
  H     18.15849947      7.59181292    -10.99348323
  O     15.54284638      8.99720727    -18.66653135
  H     17.11541662      8.87705591    -17.64143437
  H     11.31136908      7.50227436    -11.41253996
  O     17.64529394     10.75442771    -15.14813153
  H     12.61330235      8.93827104    -15.40834107
  H     12.07309393      6.60931825    -12.41136766
  O     14.97471039      6.51120702    -17.40846323
  H     11.23887052      9.51456735    -15.01320448
  H     18.94876148      9.03824539    -12.55585639
  O     17.48671979      6.06960674    -16.09822091
  H     14.88919240      6.06644020    -12.88823080
  H     18.48952415     10.41976647    -12.07235231
  O     15.45556532     12.39179466    -15.33193988
  H     13.75157002      6.72195248    -13.67141783
  H     16.43232339      7.34431453    -13.64590029
  O     15.80321660      8.97396835    -14.05870430
  H     14.66150997      9.74231530    -11.42188673
  H     17.50460216      6.58841992    -12.83639797
  O     11.66027193      8.82017606    -10.04947184
  H     14.33028736     10.91634070    -12.41903415
  H     16.07208472      8.19931369    -10.06424587
  O     18.76781956      7.26403522    -11.67976508
  H     15.46859481      9.23358496    -19.58727874
  H     17.17181301      9.28494172    -10.00320191
  O     11.21804162      7.02282109    -12.24548354
  H     14.98497808      9.62357405    -18.17243011
  H     13.25964935     10.45088127    -16.73903907
  O     18.89436677      9.96298298    -12.82073809
  H     17.85019000     10.12822461    -15.86047105
  H     14.51649765     11.34194949    -16.63759627
  O     16.77262659      6.45638624    -13.45226375
  H     18.19375137     10.53703523    -14.37931291
  H     14.16991087      7.50186861    -11.40011688
  O     17.01656346      8.33601628     -9.91453338
  H     15.82987748      6.25684570    -17.03964334
  H     13.40693582      8.33311519    -10.32793101
  O     14.04432781     10.73830564    -17.22264088
  H     15.13939599      7.30109043    -17.94044347
  H     13.98062395     11.97599081    -14.20940125
  O     14.28346379      8.14776943    -10.68910071
  H     17.25413209      6.11490113    -15.15684629
  H     12.84292307     10.93579212    -14.30464469
  O     13.26525572     11.56877501    -13.70472643
  H     18.07848176      5.32781584    -16.19818639
  H      9.05958050      8.62666781    -13.95140577
  O      9.95883735      8.89574021    -13.78422365
  H     15.73420654     13.27211833    -15.57299501
  H     10.38761464      8.16119520    -13.30988920
          69
 Energy    -249.09052109961976     
  O     -1.99123569      4.66442640      2.03554789
  H     -2.39204545      3.98151434      2.59792308
  H     -2.18560664     -2.01445451      2.00163455
  O     -2.93682669      2.51073922      3.42617581
  H     -2.22420929      5.50822023      2.41517433
  H      1.05855316      1.81167508      1.44335690
  O     -0.75928503     -0.91796648      4.79385668
  H     -2.57333162      2.30911679      4.29586532
  H      1.40506917      0.55492111      2.30275989
  O     -1.53192534     -2.65140290      0.46411190
  H     -2.45500853      1.93658675      2.80639061
  H     -4.48528265     -1.47884560      0.32612861
  O     -0.67105050      0.88577897     -1.97491827
  H     -1.42757412     -1.16853111      4.13810247
  H     -3.15197145     -1.94123047     -0.28674778
  O     -5.02974428      1.48701390      1.77809831
  H     -1.05378227     -0.08630274      5.18284045
  H      0.07833672     -2.64821715      4.53152360
  O     -3.21480710      1.23167041     -0.51486631
  H     -1.10718767     -3.43872457      0.82784124
  H      1.45750544     -3.09011055      4.00203200
  O      0.26618961      3.55562985     -1.26951226
  H     -0.82589217     -2.09442015      0.10475435
  H      0.07676803     -4.23571811      2.68378391
  O      0.56353161     -1.06314264     -0.46625068
  H     -1.58450725      0.98294978     -1.68558890
  H     -0.15187481     -5.57250402      1.93859743
  O     -1.65663254      0.84889946      1.70847089
  H     -0.24827549      1.73238672     -1.78775071
  H      1.42787781     -3.67377433      1.06343261
  O     -5.23043878     -1.20543950      2.13185521
  H     -4.56721675      1.55099839      0.93395079
  H      1.68481338     -2.38112687      0.26498630
  O     -2.53255711     -1.54593741      2.77568329
  H     -4.46763417      1.92603696      2.42924569
  H     -1.33241614      2.04694323      6.55599303
  O      1.10656260      0.84680160      1.43079468
  H     -3.55635702      0.33957125     -0.67792537
  H     -0.58745850      2.15726259      5.20456310
  O     -3.94249761     -1.41609049     -0.46851917
  H     -2.59742215      1.13942496      0.22913709
  H      1.33979782      1.84749185      4.26880695
  O      0.55542881     -3.39805176      4.15731467
  H      0.57583430      4.10388877     -1.98625473
  H      0.87988418      3.07925953      3.45592978
  O     -0.07792565     -4.63110200      1.80741749
  H     -0.68196423      3.75047815     -1.15491548
  H      2.79975791     -2.53453152      2.38536060
  O      2.10408490     -3.01579094      0.86093385
  H      0.85857709     -0.42811487      0.20320123
  H      3.96527360     -2.65521016      3.39608870
  O     -1.36641844      1.76968685      5.64387237
  H      0.16822749     -0.51695098     -1.15967809
  H      0.89794886     -0.33461050      4.27309531
  O      0.83930887      2.67375408      4.32838076
  H     -0.69875569      0.82198803      1.60363880
  H      2.32967820     -0.72322913      3.81318424
  O      3.07634590     -2.32580849      3.29605227
  H     -1.94698278     -0.00298800      2.06149371
  H     -0.24700184      3.98350977      1.75328582
  O      1.74835208      0.02856098      3.98444235
  H     -5.25127401     -0.23566159      2.04901484
  H      0.66006974      3.63626386      0.56748677
  O      0.60744698      3.59014998      1.53261963
  H     -6.10405262     -1.47914662      2.39744602
  H     -2.37372070      4.21493301      0.20704952
  O     -2.36445548      3.91979811     -0.71182227
  H     -3.49189001     -1.49807768      2.67531435
  H     -2.80487822      3.05977823     -0.73343488
          69
 Energy    -249.09026944221662     
  O      9.13574798     -6.80942137      1.87692372
  H      8.46537602     -6.56758837      1.22151219
  H      7.82203957     -8.75428533     -6.25038348
  O      6.21092344     -8.53288763     -3.07125110
  H      9.05552166     -7.76514288      2.01458686
  H      5.57418725     -8.85488955      1.30213828
  O      8.26931432     -8.77078229     -1.22764465
  H      6.92869501     -8.67688637     -2.43373074
  H      4.89657711     -7.62290067      1.93522179
  O      8.30607678     -9.28738670      5.13158682
  H      6.58552151     -8.74074776     -3.93592404
  H      9.67156586     -7.00805100     -3.45578505
  O      6.58317888     -5.81854640     -2.67159105
  H      7.93940420     -8.04985118     -0.67842577
  H      8.33219732     -6.24212534     -3.58838986
  O     11.76319980    -10.29691703     -3.20342939
  H      9.12793835     -8.49154303     -1.57539745
  H      8.28279743    -10.53518986     -1.30168955
  O      4.47640943     -9.67042307     -1.17563650
  H      8.52699011     -9.63391537      5.99146568
  H      7.42657376    -11.81604051     -1.18131138
  O      5.71168340    -11.97905301     -0.44323315
  H      7.37020793     -9.50672527      4.97010072
  H      8.84352026    -11.27257149     -3.26756593
  O      7.59664524     -6.63891886      4.23135523
  H      5.93258601     -5.24765969     -3.07329584
  H      8.76608716    -10.33940612     -4.51011977
  O      8.98898914     -9.57517004      2.41594319
  H      6.31845884     -6.73189970     -2.87280330
  H      6.92648037     -6.13089297     -0.84832519
  O      5.72461070     -9.73395698      4.40903683
  H     12.45182199    -10.52845132     -3.82023868
  H      6.34909465     -6.96972640      0.34534872
  O      7.85700503     -8.86825902     -5.30457835
  H     10.91874310    -10.58014305     -3.60040733
  H      7.37103570    -10.18267535      1.85902469
  O      5.09970850     -8.03641585      1.08689969
  H      4.94218353     -9.26909414     -1.92138423
  H      6.29311476    -11.02860010      1.08416583
  O      8.99888770     -6.72177982     -4.09096144
  H      4.50532833     -9.02649483     -0.45673767
  H     11.05754863     -7.67952541     -1.32955269
  O      8.28242795    -11.48966392     -1.47920221
  H      5.10344773    -12.71312400     -0.43952236
  H     11.17669246     -8.64730491     -2.55391169
  O      9.30920305    -11.00448536     -4.07138854
  H      5.21190834    -11.20003876     -0.74803334
  H     12.33022830    -10.57408917      1.94018646
  O      7.14280418     -6.53453970      0.00019943
  H      8.17446725     -6.51257061      3.46698623
  H     11.37523801    -10.69157910      0.72781914
  O      6.42458355    -10.36844043      1.77291456
  H      7.92054964     -7.43411664      4.67077068
  H      4.42701398     -6.40841766      4.19465588
  O     10.70498177     -7.87838526     -2.21074322
  H      9.88580020     -9.85097292      2.18609523
  H      5.88647995     -6.82018338      3.89195989
  O     11.55840933    -10.18387899      1.53952173
  H      8.91057438     -9.54142304      3.37917179
  H     10.75625655     -7.11410411      0.91995776
  O      4.95423955     -7.04163136      3.71518272
  H      5.86088064    -10.10090194      3.52363029
  H     11.59625414     -8.39694359      0.79612708
  O     11.45062439     -7.53227024      0.39432294
  H      5.30919681     -8.87408815      4.27070663
  H     11.37628808    -11.14540701     -1.54682827
  O     10.99423803    -11.49978455     -0.73487730
  H      8.31766875     -8.08927938     -4.94209139
  H     10.06050396    -11.65727631     -0.92836274
          69
 Energy    -249.08958382163090     
  O     12.13921328      9.60544404    -10.11117803
  H     11.69995783      9.05247521     -9.47036719
  H     12.05764489      8.70314025    -17.15407265
  O     14.98563635     11.45928039    -12.84973064
  H     12.20782795     10.49513858     -9.71931641
  H     11.82683098     12.91874287    -16.23016720
  O     15.11541967     14.58185166    -15.08275744
  H     15.04220291     10.91632212    -12.05539984
  H     13.34462011     12.70486076    -16.39248309
  O     15.65269099      7.95331475    -12.53691343
  H     15.60457230     12.19976597    -12.78722602
  H     17.33493933     12.83003251    -16.21304809
  O     11.61076680      9.93187292    -12.84912478
  H     14.22341521     14.30585124    -15.32052361
  H     17.54894475     13.70700305    -17.46830951
  O     10.35443795     11.92971969    -16.81705941
  H     15.68705208     14.25929963    -15.79139022
  H     12.45043053     13.63088677    -11.82691915
  O     14.58643988     11.68352022    -17.28786237
  H     16.36901001      8.29788693    -13.08289589
  H     11.99385494     14.93738804    -11.13816953
  O     15.44477933     11.82203635     -8.89002735
  H     14.88251636      7.86551573    -13.11374345
  H     17.68129273     12.64915622    -14.03127148
  O     12.52841092     12.53579255    -13.22442597
  H     11.68223287      9.76717930    -11.90134189
  H     17.98996003     11.19894994    -14.49416038
  O     15.04849259     10.04208850    -15.17132470
  H     11.85400769     10.85834248    -12.98780289
  H     14.42120772     14.27003558    -10.67483751
  O     12.60589640     12.06255560     -9.10278252
  H      9.50354434     12.20106555    -17.15070415
  H     15.47257069     13.43211818     -9.92446861
  O     11.82478753      7.93563616    -16.60095618
  H     10.19232470     11.19338079    -16.20049984
  H     12.80910151      7.91424499    -15.01815913
  O     12.68474731     13.21213880    -15.89790796
  H     15.37385406     12.23576146    -17.35895712
  H     12.72085340      8.72944557    -13.70348772
  O     16.87697362     13.27186561    -16.95053210
  H     14.76844098     11.05335893    -16.57205978
  H     16.70485751      9.48482136    -14.80750918
  O     12.51704747     14.15036449    -11.00834224
  H     16.07424235     11.60261505     -8.20764686
  H     18.02798904      8.71411664    -15.01271408
  O     18.02472952     12.12094705    -14.76661138
  H     15.38191425     11.04641383     -9.47237973
  H     11.62554330     10.81910579    -17.76652121
  O     15.37014006     14.17837033    -10.52757853
  H     12.50761699     12.81385617    -14.14947614
  H     13.14967594     10.68673511    -17.93915714
  O     13.29666703      8.14340472    -14.21611235
  H     13.41807728     12.18175465    -13.06459622
  H     16.27803576     13.98704197    -12.06692662
  O     17.54381350      9.24101207    -14.38003635
  H     15.06169527     10.61591195    -14.38871429
  H     16.06320840     14.11241695    -13.61471435
  O     12.31957416     10.19859269    -18.02035859
  H     14.42279070      9.33525627    -14.96739243
  H     10.54625305      9.04193944    -15.66177085
  O     16.59303702     13.67697237    -12.92813030
  H     13.54221921     12.06199431     -8.86707018
  H     10.47138974      9.79344566    -14.32069851
  O     10.08464602      9.75595583    -15.20541508
  H     12.47970604     12.82148254     -9.68662790
  H     15.25112126      9.03735987    -11.19706106
  O     14.93331696      9.74997133    -10.62164800
  H     11.59308233      7.22876487    -17.19739243
  H     13.99482923      9.59259292    -10.45761865
          69
 Energy    -249.08940559394000     
  O     -6.73078830     -1.14958244      6.70590614
  H     -5.94226200     -0.59275476      6.71536175
  H     -4.54513641      1.71706405      1.19517394
  O     -7.11104849     -2.16320501      3.99967448
  H     -6.69786718     -1.65822204      5.88768033
  H     -5.78115963      0.61413576      3.77301906
  O     -5.76154589      1.03479501      0.01529493
  H     -8.05417055     -2.24180739      4.21274956
  H     -7.17009618      1.08022418      4.34348131
  O     -5.63488277      3.04018162      5.91446278
  H     -6.96871331     -1.21531658      3.83851177
  H     -4.12284840      0.43349430      5.62945048
  O     -6.89189721      5.46944504     -0.22113117
  H     -5.63196544      0.08170427     -0.06435071
  H     -3.61360639      0.38885508      7.08838742
  O    -10.05395996     -0.44276309      1.84789673
  H     -6.63124388      1.16504377      0.41844875
  H     -3.42018631      4.91028880      0.69487698
  O     -9.27126826     -0.18048320      6.76812984
  H     -5.16528172      2.26822775      6.24855543
  H     -2.04770935      4.61810918      0.03939224
  O     -3.92367305      0.32852324      3.89186539
  H     -6.57042966      2.79140600      5.91039287
  H     -9.16644963      4.02657790      3.31340034
  O     -5.27103797      3.52592861     -1.20779276
  H     -6.35912311      4.76650336     -0.63507761
  H    -10.21323988      4.62684032      4.26518807
  O     -9.77724484     -1.77596875      4.41675155
  H     -7.23079515      6.01022034     -0.92920431
  H     -4.78817875     -1.99744265      1.80552416
  O     -5.58119838     -1.76120496      0.05280894
  H    -10.87135067     -0.21841916      1.40986646
  H     -5.34093806     -2.34627053      3.20249867
  O     -3.92659417      2.13321852      1.81268772
  H     -9.44066785      0.29266621      1.68402228
  H     -8.73876630     -1.75076968      1.31380162
  O     -6.73631265      0.55184916      3.65819071
  H     -8.36843499     -0.54207795      6.83570517
  H     -7.67131020     -2.43919179      2.16749336
  O     -4.39858527      0.51033701      6.55968148
  H     -9.69643262     -0.34568294      7.60546714
  H     -8.68892843      1.37653659      5.96568772
  O     -2.89087788      4.22557174      0.24700913
  H     -4.01022819     -0.54714088      3.48376539
  H     -8.82123792      2.63696025      5.03771889
  O     -9.76107681      3.81430637      4.05055275
  H     -3.74166444      0.96633182      3.18907391
  H     -4.86882498      5.39606768      2.27517760
  O     -4.54155294     -2.07259252      2.73534895
  H     -4.38914266      3.73016347     -0.87298600
  H     -5.39518466      5.95396573      0.93986900
  O     -7.94348331     -2.29235336      1.25330717
  H     -5.45670905      2.61849212     -0.93182145
  H     -5.44890756      3.71849926      4.27119305
  O     -8.19447682      2.04730673      5.47944375
  H     -9.98105731     -1.25293571      3.63158586
  H     -4.92851146      3.29917727      2.86076175
  O     -4.61075719      5.91540396      1.50013973
  H     -9.77293599     -1.17177437      5.16923104
  H     -8.12132067      2.40594030      1.60359133
  O     -5.44578460      3.96300985      3.33487438
  H     -6.46902954     -1.96899761      0.39670261
  H     -7.58932026      1.09477246      2.24186466
  O     -8.08912279      1.44790883      1.48672772
  H     -5.39457612     -2.39929303     -0.63115417
  H     -7.05421853      4.09813743      2.56093823
  O     -7.87699462      4.16387833      2.05102600
  H     -3.42113024      2.78108171      1.30679357
  H     -7.66923251      4.66564061      1.25374916
          69
 Energy    -249.08930887707299     
  O     -3.88043534     -1.83012613      6.64341586
  H     -4.18466733     -1.18792925      5.98951823
  H     -0.27654765     -5.79443385      0.98525555
  O      1.34136264      0.93189968      3.27603844
  H     -4.30906454     -2.66248170      6.41055455
  H      2.14483630     -2.00197242      4.35950348
  O     -2.94986167      0.84205797      2.67200455
  H      1.81998238      0.08559774      3.34902218
  H      2.36345802     -2.09227047      2.82890688
  O      1.41594963     -2.96162288      5.86130863
  H      1.89741779      1.59773479      3.67094312
  H     -1.12589804     -2.07278813      0.97721540
  O     -4.77210291     -4.36759828      5.57475265
  H     -3.34952848      0.24361923      2.01838737
  H      0.16594652     -2.59840759      1.69076562
  O     -1.23512567     -2.25511667      6.02983728
  H     -2.26519055      0.34731463      3.14779582
  H     -3.40751335     -3.74143751      2.59741029
  O      0.64930984     -5.36054252      4.51883222
  H      1.85328769     -2.94997820      6.70974327
  H     -1.90693977     -3.54925918      2.25662451
  O     -4.85183926     -2.76524959      3.21278766
  H      0.49583209     -2.69196381      6.02091116
  H      1.83123424     -2.94615551      0.49524548
  O     -0.50625330      1.33988750      1.11900064
  H     -5.23383398     -5.11516354      5.94572888
  H      1.78896596     -4.12348276      1.53372355
  O      1.33487279     -5.88554745      1.95935094
  H     -3.84276577     -4.63445688      5.47617083
  H      0.65199157     -3.05530221     -1.44430496
  O     -0.90425333     -4.14255155     -1.73479448
  H     -1.13736799     -1.62382870      5.29993926
  H      0.98005735     -1.56649267     -1.20393847
  O     -1.09837585     -5.63260310      0.50549935
  H     -2.10334562     -2.07944883      6.41853766
  H     -0.15730578      0.01702773      3.86143179
  O      2.44595155     -1.50268098      3.59179732
  H     -0.28171258     -5.36261818      4.77176238
  H     -0.85141719     -1.18970410      3.17733796
  O     -0.73929392     -2.29346949      1.83412523
  H      1.03551797     -4.59540511      4.96191289
  H     -0.18675974      0.55428249     -0.39362568
  O     -2.58425010     -4.21985602      2.43622927
  H     -4.99359319     -3.36594277      3.95570765
  H      0.04123365      0.73127086     -1.91130387
  O      1.87352827     -3.16717359      1.43839965
  H     -4.84234484     -1.88123388      3.60311322
  H     -1.74952418     -2.63883697     -1.08403442
  O      1.34816238     -2.45657822     -1.14523996
  H      0.16246687      1.24943783      1.80955164
  H     -1.43479008     -1.12222649     -0.95352735
  O     -0.92311178     -0.56739846      3.91969115
  H     -1.36129121      1.34620727      1.56364157
  H     -5.59883825      0.34893239      4.51033193
  O     -0.06230812      0.07165260     -1.23050206
  H      1.09767682     -5.73797062      2.89273852
  H     -4.18747565      0.29427202      3.89659988
  O     -2.01239546     -1.82739410     -0.63063844
  H      1.91747799     -6.64023606      1.94015301
  H     -1.76966956     -3.91385957      5.41950509
  O     -4.80703219     -0.18319048      4.47037215
  H     -0.97370179     -4.72283731     -0.95510518
  H     -2.21768788     -4.65947729      4.12853638
  O     -2.07927036     -4.76771143      5.08294281
  H     -1.10268429     -4.68026458     -2.49629967
  H     -3.49208242     -1.35068352      0.35868089
  O     -4.12008494     -0.98808228      0.99877931
  H     -1.72639521     -5.28575261      1.15269084
  H     -4.47014312     -1.72771874      1.50503472
          69
 Energy    -249.08879917754604     
  O     14.90085529      7.33247903     -8.05902608
  H     13.96530352      7.41189722     -8.31744095
  H     15.47958120      7.37035154    -13.19272190
  O     12.62009529      6.02635360    -15.52898445
  H     14.92899929      7.38228887     -7.10715881
  H     13.66143381      6.59808614    -12.02606400
  O     16.12326085      5.22968845    -15.23727473
  H     13.31740030      6.21584601    -16.17008288
  H     13.09771500      7.59132949    -13.09070507
  O     10.35854689      8.17858091    -11.85771068
  H     12.91230735      5.25877131    -15.02531551
  H     11.81418770      6.90526078     -9.35646840
  O     16.82899906      2.91160396    -10.69224826
  H     16.30829262      5.95555201    -14.62180947
  H     12.13036890      8.41216618     -9.27739444
  O     10.79147525      5.82090614    -10.61326763
  H     15.76698150      5.63447514    -16.03603705
  H     17.24726718      3.91090829    -14.64099893
  O     17.59652013      6.56083945    -11.14596829
  H     10.73004860      8.23339268    -12.74980825
  H     17.01965378      2.65249796    -13.78857448
  O     13.69185674     10.49234473    -14.15718896
  H     10.77276576      8.88697457    -11.35104891
  H     13.42587311      4.57340941    -12.26490938
  O     15.51059294      1.87096428    -12.83274928
  H     17.65866037      3.28737005    -11.01020054
  H     12.39009741      5.09743895    -11.18523956
  O     15.53257276      8.89807152    -15.65821723
  H     16.37605163      3.63469804    -10.23714122
  H     15.05969397      7.59201822    -16.71467724
  O     11.80423744      8.27329236    -14.21972635
  H     10.57403427      6.63544546    -11.10192153
  H     14.91604044      6.95434725    -18.11912379
  O     16.39539355      7.34289970    -13.50832109
  H      9.96307470      5.40441907    -10.39159057
  H     14.37546901      3.16678370    -13.57967277
  O     13.83667541      7.42300826    -12.49316405
  H     18.21763669      5.86873617    -11.40489920
  H     14.70983551      4.44763303    -14.35336607
  O     12.33224907      7.55877652     -8.87405222
  H     16.87428232      6.10431414    -10.68953998
  H     19.95276000      4.02271758    -12.01090494
  O     17.70946189      3.23942834    -14.11991102
  H     13.52901455     11.42299970    -14.29345568
  H     18.62146602      3.92197055    -12.78956517
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  H     13.98199413     10.39570844    -13.23589832
  H     12.77142366     10.06535524    -10.66612409
  O     14.81143564      6.77743291    -17.18857851
  H     15.92905153      2.20682496    -12.01959185
  H     11.71006460     10.87080137     -9.88100788
  O     13.98586561      3.99122907    -13.90065884
  H     15.39744342      0.93183500    -12.71296268
  H     15.34558675      5.86427493     -9.09823132
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  O     11.89062173     10.01403091    -10.25943941
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  H     15.92943192      8.45338368     -9.23958676
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  H     12.02352558      7.52672803    -14.80053627
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  O     14.34239169      9.87676784    -11.50150042
  H     16.93462201      7.13608206    -12.73495155
  H     15.13201205      9.76033619    -10.95514046
          69
 Energy    -249.08842151636406     
  O     -6.35183370      2.82294692      0.29325522
  H     -5.45019723      3.17178460      0.24816899
  H     -3.89061887     -2.16807117      2.65731397
  O     -5.58794539      2.86633132     -3.98855646
  H     -6.81415515      3.12252270     -0.49990344
  H     -1.40028348      1.22842517      5.43119967
  O     -6.53885918      1.64533051      2.88653736
  H     -4.72045245      2.84171778     -3.56175087
  H     -2.39591613      1.05166855      4.26076212
  O     -2.35219816     -2.71190501      1.71156278
  H     -5.73847687      1.97026482     -4.31286311
  H      0.36750704      1.60408223      1.89703194
  O     -2.34819098     -1.21741186     -0.55285171
  H     -6.58313825      2.16348725      2.07235205
  H     -0.65543766      1.94168057      3.01915279
  O     -6.10605139      0.06507441     -4.41145095
  H     -6.87039568      0.76717778      2.66236999
  H     -2.87431599      3.96457450      0.25939154
  O     -6.29467578      0.10552082     -0.33053487
  H     -2.37215872     -2.23857731      0.86144822
  H     -3.40521165      2.53536126      0.44740776
  O     -4.32648077     -0.23923780     -2.22345020
  H     -2.19398071     -3.63092212      1.50913789
  H      0.84947004     -0.42398677      2.06536772
  O     -3.28668446      2.37903264     -2.46855662
  H     -1.47733361     -0.86649101     -0.80464835
  H      2.32279286     -0.11654765      1.69474680
  O     -0.35213529     -1.19039728      3.05903112
  H     -2.98667149     -0.99637273     -1.24264864
  H     -7.52952377      0.30135336     -1.72341534
  O      0.02469225     -0.02388455     -0.98214106
  H     -6.85451091      0.19468015     -3.80124772
  H     -8.03728699      1.56483352     -2.42864894
  O     -4.64547027     -1.78559893      3.11970511
  H     -6.43446662     -0.44274307     -5.14817916
  H     -3.59082972      0.93310608      2.61338798
  O     -1.45055139      1.07030969      4.49219113
  H     -6.56123069     -0.39503431      0.44983220
  H     -4.86467392      1.27384249      3.43115600
  O     -0.34456578      2.20995209      2.14451341
  H     -6.28317788      1.04032099     -0.07955215
  H     -7.73170353     -1.68758005      2.35748285
  O     -3.65140817      3.41304705      0.11340085
  H     -4.81192582     -0.26279075     -3.05652893
  H     -6.20805979     -1.43050611      2.44950200
  O      1.42310488      0.14501516      1.51982784
  H     -4.99333211     -0.16469728     -1.52263211
  H     -1.82208833      1.33377276      1.31194159
  O     -7.99002310      0.60506903     -2.51807948
  H     -3.47061140      2.80904608     -1.62203071
  H     -2.60604308      0.25665010      0.50309695
  O     -3.96601815      0.92379959      3.50789256
  H     -3.56953475      1.45823019     -2.38044592
  H     -0.73091464      3.67404573      1.17729508
  O     -7.04082227     -1.09720610      2.07014661
  H     -0.77869142     -0.54397587      3.63355788
  H     -0.51726911      5.14860510      0.76716266
  O     -2.70629910      1.02591997      1.07623952
  H     -1.05072686     -1.72843733      2.66666816
  H     -8.06477301      4.17531712     -2.48827257
  O     -1.02115208      4.36577290      0.55930565
  H     -0.09808261      0.88884759     -1.28424072
  H     -6.83866204      3.30420833     -2.84945103
  O     -7.54622082      3.43205895     -2.19199041
  H      0.60884772      0.01251573     -0.21765005
  H     -1.43043952      2.52547382     -2.13626735
  O     -0.56125912      2.57978825     -1.71625260
  H     -4.37224610     -0.90007501      3.39506307
  H     -0.64101318      3.26056940     -1.04037572
          69
 Energy    -249.08839214907408     
  O     13.67672345     11.98366128    -10.38840378
  H     12.84786516     11.81707563     -9.92448395
  H     11.92117123     14.11994405    -12.77948982
  O     10.85529606     11.55526207    -14.63729418
  H     13.54486321     12.76605646    -10.94334832
  H     15.75586236     14.16391066    -19.00419832
  O     14.29533155      9.81729947    -12.04871763
  H     10.96076870     12.38234098    -14.14560830
  H     14.68967584     13.26890487    -18.32377215
  O     17.23141707     12.18000462    -14.34881649
  H     10.27752916     10.98793493    -14.11157800
  H     14.31905199     14.69023089    -11.80918831
  O     11.15468371     11.36942942     -9.38398290
  H     14.04627707     10.59130435    -11.52061664
  H     13.92572966     13.60940566    -12.84814301
  O     11.53478071      9.20519914    -11.23526548
  H     13.93685631      9.92771157    -12.94218645
  H     12.82204823     15.37453220    -15.66454346
  O     13.26958581     10.23131484    -14.60377656
  H     17.32085236     13.12554015    -14.15069162
  H     11.65051831     16.34973153    -15.91381242
  O     16.04270911     15.24043138    -11.29840122
  H     17.29504950     11.66751015    -13.53452886
  H     14.02813885     11.83865279    -14.40225877
  O      9.45108368     10.00415944    -12.79903274
  H     10.70527090     11.42528527     -8.54542618
  H     15.43670096     12.47556569    -14.25093371
  O     14.56971044     14.93834274    -15.74610560
  H     10.59858617     11.83337005    -10.03584262
  H     16.32480961     12.29761260    -17.35936245
  O     13.38242621     12.16506667    -18.43735044
  H     11.45123001      9.82440280    -10.49848505
  H     16.91176245     11.66555895    -16.07505265
  O     11.10565640     14.01159222    -13.29072865
  H     12.46685545      9.19749680    -11.47747240
  H     11.34288269     13.89832162    -16.62229800
  O     15.46480861     13.83823534    -18.15701948
  H     13.59831221      9.99984991    -15.48262481
  H     10.96393087     12.44351580    -16.29165733
  O     13.58601059     14.13989039    -12.10805357
  H     12.38414304     10.61190511    -14.69428817
  H     16.07522822     10.18667245    -12.08032420
  O     11.85680065     15.47005046    -15.60729022
  H     16.24846555     14.36315747    -10.92715368
  H     17.54047974      9.76250330    -11.84672909
  O     14.48958414     12.66226064    -14.20717996
  H     16.34977337     15.88562813    -10.66725285
  H     15.22329933     10.34823128    -17.04610793
  O     16.55091786     11.45535696    -16.94719362
  H     10.19348066      9.63757831    -12.28624075
  H     14.63389595      9.02995284    -17.60411661
  O     11.18669376     13.03512186    -17.02193249
  H      8.78115549      9.32732601    -12.83980957
  H     10.04516017     13.11419485    -11.99025924
  O     16.99060907     10.51194057    -12.06323848
  H     14.47811623     14.11330173    -15.24432233
  H      9.43513940     11.69821376    -11.87631123
  O     14.41092512      9.81212546    -17.10647408
  H     14.91131829     14.68152755    -16.61342181
  H     16.65942125     15.11336532    -13.08843976
  O      9.67472063     12.48029913    -11.36309833
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  H     16.21567084     15.12943003    -14.57016287
  O     16.94271902     14.88995729    -13.98398798
  H     12.56548805     12.45892944    -18.00690620
  H     16.75274284     12.00737270    -10.87485710
  O     16.37721624     12.71875760    -10.34374974
  H     11.20870882     14.58371387    -14.06108886
  H     15.46987875     12.43825277    -10.15794977
          69
 Energy    -249.08834377443276     
  O     18.03809010      9.49630754    -11.10951816
  H     18.14003608     10.31601360    -10.60958507
  H     13.22077402      9.34364740     -9.49797718
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  H     18.76113631      8.89512044    -10.88080301
  H     18.75475993      4.48316455    -11.11795240
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  H     14.33523872      5.88771075     -8.35870709
  H     19.52197299      4.90578022    -12.38739431
  O     12.04098787      7.90877924     -9.35868969
  H     13.11689454      6.81887392     -8.22088162
  H     15.34925619      5.61635108    -10.67891730
  O     16.35146462      8.50661034    -13.05939593
  H     18.16067384     12.70608849     -9.60453379
  H     15.79323905      6.59826401     -9.58219669
  O     19.84763029      7.50581217    -10.44095653
  H     17.21151103     11.66188982     -8.96933158
  H     21.30530082      6.63491634    -13.19904074
  O     21.07052040      8.25238851     -8.04923866
  H     12.21752841      7.62412485    -10.27362994
  H     20.28032175      6.94486762    -12.08504301
  O     18.34208019      5.35396275     -9.51830690
  H     11.09414796      7.89956888     -9.24490233
  H     18.83572593      6.79681405    -14.05902599
  O     12.69479432      7.36399291    -11.92952478
  H     16.89533713      8.01084484    -13.68937511
  H     17.59594913      5.96669414    -14.43403990
  O     15.79045036     11.25574630     -8.03162050
  H     16.96144729      8.90875349    -12.42538485
  H     15.36454915      8.84671598     -9.53308285
  O     14.01506497      9.83441308    -12.56921349
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  H     16.82785123      8.69126573    -10.03299088
  O     13.93445418      9.95226959     -9.73254246
  H     19.27958853      6.77420347    -10.15432368
  H     18.52450885      9.75207710     -7.09842434
  O     18.90848336      4.24591635    -12.04250543
  H     20.50678966      9.01104610     -7.80920605
  H     19.00341728     10.82001285     -8.10166764
  O     15.59637917      5.66097477     -9.74663850
  H     21.91107522      8.38349666     -7.61984117
  H     14.80939499      6.93695005     -4.78580724
  O     20.38741886      6.53453601    -12.95900952
  H     17.37761794      5.33823751     -9.58838619
  H     14.51575023      7.02189630     -6.29368619
  O     17.97864839      6.85034678    -14.50016233
  H     18.54731084      5.61660126     -8.60930018
  H     15.58684971      5.34733977    -12.96691159
  O     16.16337225      8.30986830     -9.44626543
  H     13.00036077      8.21844906    -12.25757265
  H     15.54097179      6.85213176    -12.60743517
  O     19.31574923     10.19232472     -7.44047359
  H     13.40252087      6.74162791    -12.14416150
  H     19.71662033      7.06180394     -7.29498565
  O     14.98736891      7.45861350     -5.56357966
  H     15.04710215     10.92770492     -8.55587165
  H     18.24536661      7.22685139     -6.88107172
  O     15.09046585      6.00793176    -12.46782561
  H     16.02858887     10.54481935     -7.42649103
  H     16.72402741      8.57245787     -7.77103036
  O     18.90957062      6.56704300     -7.10864115
  H     14.84698951      9.39339147    -12.81394850
  H     16.30283378      8.36988300     -6.28706368
  O     16.96810748      8.78465698     -6.85686699
  H     13.82090540     10.45664615    -13.26563993
  H     16.78123473      3.45943134    -14.26488260
  O     16.85348784      4.29229903    -13.80715076
  H     13.93162149     10.03171601    -10.69559991
  H     17.56568059      4.19201962    -13.14980375
          69
 Energy    -249.08827593738431     
  O     19.35258011     11.53534657    -10.05496028
  H     19.30310442     12.42911183     -9.72832227
  H     18.53319018     10.62996140    -11.45168564
  O     16.99516084      6.26466510     -9.60827777
  H     18.91456368     10.97012175     -9.39135555
  H     20.94638767     10.69215337    -10.65339147
  O     18.44142429      3.38922578    -12.13818601
  H     16.49117322      7.03122347     -9.30614395
  H     21.65672550      9.34439751    -10.41925086
  O     19.53184206      5.67394115    -13.31800717
  H     17.48422462      5.89736931     -8.86049768
  H     18.02452653      6.95628362    -16.23713447
  O     21.25869198      7.72200161     -9.65154892
  H     18.31040319      2.48245003    -12.40288142
  H     18.50356662      7.81081704    -15.03601068
  O     16.10603763      4.67379832    -11.63660111
  H     17.55979236      3.76374634    -11.96493239
  H     19.55651713      3.83020738    -10.60442586
  O     22.18396325      6.43227517    -13.00971012
  H     19.01555604      5.99829462    -14.06687009
  H     20.87433093      4.48032225    -10.10208827
  O     19.62727956      7.81841241     -7.38425818
  H     19.17006167      4.82565732    -13.03379272
  H     13.46361401      8.09415869    -12.34492193
  O     22.48420704      5.33920824    -10.56639233
  H     20.45558183      7.65041521    -10.19132524
  H     14.04527218      7.04209365    -13.27242685
  O     18.97113765      7.45278400    -11.21094765
  H     21.78299201      6.93750897     -9.84657205
  H     15.68441077      8.22719864    -12.36757206
  O     18.08358774      9.90110486     -8.33767433
  H     16.37814404      5.21381859    -10.87813036
  H     16.39616863      9.51072110    -11.91964026
  O     18.15739496      9.97109008    -12.04714557
  H     15.14413785      4.57992978    -11.59093235
  H     16.57352830      6.83272455    -14.17165056
  O     21.67016428     10.13957069    -10.97034351
  H     21.29198574      6.12563764    -13.22640221
  H     16.04888759      6.00104651    -12.95692246
  O     18.04971688      6.98324752    -15.28492449
  H     22.19019227      7.38034648    -13.18764808
  H     22.70728968      9.73801930    -13.90067777
  O     20.03043988      4.10988622     -9.81389841
  H     19.31168839      6.90876558     -7.35758041
  H     21.88690973      9.59713821    -12.59953628
  O     13.24061934      7.26856082    -12.78014049
  H     20.31461385      7.82727117     -8.06553651
  H     14.76979283      8.84177681     -8.71935084
  O     15.58254593      9.00050697    -11.79699366
  H     23.36868032      5.00555169    -10.44374398
  H     15.53788667      8.79170110    -10.06491931
  O     15.86476786      6.76247998    -13.52264014
  H     22.44651744      5.71444371    -11.46514648
  H     20.26236824      9.19320533    -14.21238648
  O     22.00477733      9.23527563    -13.49640397
  H     19.17205550      6.85338779    -11.94095357
  H     18.86556353      9.59269576    -13.70348289
  O     15.61135343      8.62053681     -9.10899177
  H     18.29927075      7.03443596    -10.65727994
  H     18.59724046      4.45989174     -7.02741420
  O     19.32694588      9.18440789    -14.44902867
  H     18.60488896      9.19905615     -7.92015862
  H     19.20154896      4.73419192     -8.42587703
  O     18.66683230      5.12228292     -7.70924354
  H     17.22658915      9.51796529     -8.54924089
  H     13.19783470      5.65922948    -11.94288773
  O     13.35858510      4.77910184    -11.56526024
  H     18.46963770      9.10737436    -11.73210648
  H     12.53132552      4.30967084    -11.63257669
          69
 Energy    -249.08815679939900     
  O     -0.79707491      0.91334234      2.12623550
  H     -1.20784700      0.16161555      2.58647583
  H     -2.69268212      5.56812586      2.04401219
  O      1.32874888     -0.80306453      5.38299911
  H     -1.53011086      1.45231080      1.79986212
  H     -3.61466229      4.47340479      7.01081888
  O     -4.08636270     -3.79858995      3.74031660
  H      0.84175743     -1.56004197      5.01643759
  H     -3.82273380      3.74412570      5.66164238
  O     -4.41221757     -1.60898941      1.98572403
  H      2.23804834     -1.08118157      5.46538637
  H     -2.34136932      2.26604570      6.69691736
  O     -3.89038940     -1.95521076     -0.75237552
  H     -3.23985224     -4.11503473      3.40436097
  H     -1.21501576      1.51217315      5.94089423
  O     -3.11911978      2.14288245      1.25677442
  H     -4.38190585     -3.12637838      3.11162133
  H     -4.22386997      4.02866517      3.50855094
  O     -2.64616566      0.43317931     -0.94424792
  H     -4.32159495     -1.75868402      1.03708946
  H     -4.96213582      2.70763700      3.80542376
  O     -0.04872299     -0.49302710     -0.09364855
  H     -3.51996116     -1.47171147      2.33995979
  H      0.27289217     -0.73386465      7.05463107
  O     -0.23730076     -2.90410404      4.50239314
  H     -3.50873920     -1.06994959     -0.89561861
  H     -0.96843503      0.03169035      7.52951386
  O     -1.50921106     -4.51658129      2.59119857
  H     -4.42020075     -2.15688726     -1.51828527
  H     -1.72789506      4.19987477      5.20140778
  O     -4.86150055      0.92652602      3.11010808
  H     -3.03156969      3.07036438      1.51110953
  H     -0.55886250      3.44103949      4.54012121
  O     -2.80709418      4.67979651      2.37026361
  H     -3.73724087      1.73449198      1.87934959
  H     -1.44580085     -1.73513034      3.79502866
  O     -3.19791897      3.87464265      6.39717189
  H     -1.72357018      0.19243316     -0.79565053
  H     -2.60839369     -0.75808420      4.13906676
  O     -1.88365124      1.41845241      6.63503351
  H     -2.86757013      1.09393000     -0.27407679
  H     -2.48721799     -3.06016870      6.77182049
  O     -4.74569703      3.57074214      4.17938201
  H      0.82974786     -0.29159342     -0.40572176
  H     -1.21198788     -2.35147383      7.30186828
  O     -0.43034234     -0.74902923      7.71421104
  H     -0.18579864      0.02823801      0.71547812
  H     -4.24835629     -3.19073891      5.36901591
  O     -1.12054025      4.22059446      4.45078860
  H     -0.67840507     -3.09094384      5.34940239
  H     -5.03027717     -3.17875344      6.70444027
  O     -2.04691293     -1.08036755      3.42061019
  H     -0.53444287     -3.56498631      3.86583785
  H     -0.89757245     -2.18227647      0.22290926
  O     -1.53181852     -3.15145809      6.85795423
  H     -1.34290190     -5.41297880      2.31065784
  H     -2.30107615     -2.74001675     -0.06434727
  O     -4.29798949     -2.77318516      6.24798811
  H     -1.48226254     -3.96429957      1.78951682
  H      0.62705633      0.88526423      4.92282746
  O     -1.46748411     -2.94499827      0.37665889
  H     -4.54475532      0.64422840      3.98196149
  H     -0.16071389      1.46388549      3.73127566
  O      0.09482357      1.64243989      4.64788733
  H     -4.95910194      0.10253460      2.61537099
  H     -3.98804783     -0.99817045      5.82065492
  O     -3.76488721     -0.16185514      5.39293861
  H     -2.13706204      4.54500311      3.06437371
  H     -3.15101449      0.33352336      5.95204593
          69
 Energy    -249.08793972983739     
  O     17.21327371     11.12529374     -9.40507375
  H     16.75718837     11.88870760     -9.06203459
  H     16.84496059      8.52335823     -7.71086741
  O     17.97844485      5.50707495     -9.37015284
  H     17.32822880     10.50741404     -8.65898492
  H     17.34086373      8.51280655    -11.13792643
  O     19.91117048      3.82695885    -12.48333894
  H     17.27802138      6.06460990     -9.00554387
  H     16.68094904      9.81522398    -10.57964455
  O     19.62033331      6.37394215    -13.58150337
  H     18.69079726      5.41848996     -8.72512100
  H     18.85785240     11.26312909    -10.33662141
  O     20.86720782      8.86551330     -9.91429534
  H     20.16054807      2.96459409    -12.80559885
  H     20.18918147     10.48630426    -10.43889466
  O     17.39798124      3.88225738    -11.46852806
  H     19.00567035      3.74588486    -12.13503167
  H     17.23908131      7.07061484    -16.09684887
  O     21.53250222      8.38142034    -13.50588017
  H     18.89211802      6.44832242    -14.21110943
  H     17.34262048      7.81397892    -14.74014737
  O     19.93536142      8.09131149     -7.38963720
  H     19.73897419      5.44547002    -13.34549449
  H     20.99348671      4.69915268    -11.09811378
  O     13.66003993      5.85008008     -9.81534214
  H     20.12487244      8.40695543    -10.33788022
  H     21.93595129      5.88225955    -10.74476018
  O     22.84193074      7.43441899    -11.34327841
  H     21.66380719      8.46772693    -10.28254814
  H     16.34432874      5.90198802    -14.03085091
  O     18.78257927      7.49421064    -11.14691612
  H     17.58964276      4.40843235    -10.67676976
  H     16.51887419      5.04629211    -12.74834851
  O     17.43810018      9.25187943     -7.49630571
  H     16.48704677      3.57197269    -11.37752214
  H     20.05377255     11.47162070    -13.95229824
  O     16.51025477      9.01465439    -11.09256081
  H     20.90764912      7.65786812    -13.65691062
  H     19.75926433     10.90194288    -12.54550934
  O     19.66872092     11.18957796    -10.85264185
  H     21.00841474      9.19078760    -13.51900540
  H     15.09953318      6.73281414     -9.00151226
  O     17.38999339      6.93725970    -15.16527099
  H     20.10445714      7.14350741     -7.42176504
  H     16.01165701      7.84509394     -9.56471798
  O     21.43826348      5.14493765    -10.36944964
  H     20.35672121      8.45016210     -8.18286262
  H     15.00479565      8.06288263    -11.71174477
  O     15.86187234      5.46750238    -13.31755053
  H     13.80713962      6.42166353    -10.59217317
  H     14.84828280      6.74009673    -12.48531758
  O     19.81122231     10.67262506    -13.49118988
  H     12.73663416      5.92531163     -9.58839881
  H     18.20515559      9.78022819    -13.77401871
  O     15.89638513      7.24631029     -8.81601782
  H     23.78478489      7.54215621    -11.43394359
  H     16.95950548      9.33077715    -12.98253389
  O     14.36741832      7.37303381    -11.93248754
  H     22.43770376      7.79659543    -12.15261635
  H     20.71470328      4.63454712     -7.32714320
  O     17.37549270      9.29012536    -13.84992910
  H     19.06832725      7.13564415    -11.99635215
  H     20.78674950      5.22893056     -8.75516699
  O     20.32548418      5.29052737     -7.89887463
  H     18.59189482      6.75506022    -10.55367258
  H     14.70520811      4.14434741    -12.25028082
  O     14.64012517      3.64167687    -11.42901513
  H     18.31503155      8.86116227     -7.36217043
  H     14.28419782      4.26331889    -10.78174437
          69
 Energy    -249.08736369362572     
  O     17.60252999      4.64666618    -15.84716427
  H     18.40607114      4.89567950    -15.37336726
  H     19.48740913      8.01992564    -11.74020481
  O     17.43196803      9.29450174     -8.85700275
  H     17.23994497      3.89802538    -15.35770874
  H     13.00523484      8.00281586    -15.20543609
  O     12.32239449     10.41256202    -12.65909908
  H     18.21884161      9.25493360     -9.41282192
  H     14.06200026      9.08240415    -15.43787616
  O     17.69912476      8.67912193    -14.10762105
  H     17.08074425      8.39737333     -8.79962856
  H     16.34794142      8.80583299    -12.80894550
  O     19.89329279      5.32304705    -14.15667197
  H     12.99500914     10.70163326    -13.28938918
  H     15.67779444      9.55449342    -11.61156017
  O     11.69276870      7.84518684    -13.75801402
  H     11.95862593      9.60052247    -13.03250017
  H     17.34668423      2.87469265    -13.34294339
  O     16.13421005      6.76316269     -8.76674009
  H     17.14626797      8.00322789    -14.53051339
  H     16.46423751      1.76052122    -13.95664760
  O     13.63050357      6.93654962    -12.06685350
  H     18.32766161      8.22254768    -13.53561087
  H     12.39769807     11.05765633     -9.56798913
  O     18.07561569     11.47716790    -11.86961667
  H     20.79751809      5.38610301    -14.45573045
  H     12.75263314     10.48716279    -10.95868201
  O     13.70945494      7.78488957     -9.41857702
  H     19.75733444      6.05472526    -13.53247922
  H     16.93311186      6.03591299    -10.26573521
  O     16.04608514      6.76478565    -15.05705623
  H     12.32249090      7.44993710    -13.13002993
  H     16.61849236      5.52084822    -11.70129043
  O     19.25530202      7.26665701    -12.29861480
  H     10.90683760      7.30547444    -13.73659496
  H     14.80701248      9.96403919    -13.61910953
  O     13.79877397      8.19558863    -15.71812809
  H     15.25774439      7.13765978     -8.96705175
  H     15.39462714     11.03281680    -14.54654253
  O     15.53027406      8.89877777    -12.30595200
  H     16.04935855      6.30210806     -7.93580025
  H     16.29658394     10.37861960     -9.70206132
  O     16.59962371      2.70383077    -13.94438429
  H     14.10038814      6.13339254    -12.32655679
  H     14.86951796     10.86855617    -10.14154898
  O     13.03110472     10.51110929    -10.02598960
  H     14.27531075      7.65951462    -12.14599806
  H     17.51642327     10.37724698    -14.52860117
  O     17.33585403      5.71178334    -11.08016869
  H     17.82843824     11.57089188    -12.79605205
  H     17.81242950     11.62584687    -15.39299368
  O     14.57543954     10.57061224    -14.33955174
  H     17.24996757     11.45673520    -11.36468056
  H     15.61273894      5.68518597    -13.70246941
  O     15.80551556     10.88211381    -10.37147582
  H     13.54112972      7.38367677    -10.28282562
  H     15.65313443      4.18758727    -13.29583200
  O     17.31972724     11.32570173    -14.63342102
  H     13.45479752      8.71022965     -9.51005142
  H     19.19038762      4.01613095    -12.94378881
  O     15.40209638      5.06513487    -12.98617923
  H     16.46145448      6.07723880    -15.59533067
  H     18.26649720      4.16376883    -11.72332665
  O     18.63744519      3.51208496    -12.33295856
  H     15.25527956      7.13864186    -15.47054622
  H     19.11080723     10.26147011    -11.18495339
  O     19.61948657      9.55088160    -10.75329218
  H     18.58464375      6.75076501    -11.82442869
  H     20.39896642      9.96004564    -10.38568655
          69
 Energy    -249.08726098537471     
  O     14.28576972      8.83317038     -9.24580509
  H     13.77801171      8.77148165     -8.44211687
  H     15.35809258     10.07239798    -15.69921006
  O     16.66673367      5.05589878    -13.50147166
  H     14.79745750      8.00550172     -9.32215971
  H     15.12817248      7.88978618    -13.00840958
  O     11.68072717      8.14561739    -13.66256639
  H     16.08085408      4.82470988    -12.76926507
  H     16.10942183      6.80887993    -13.57861019
  O     18.02172199      7.47848728    -10.71428382
  H     17.55164783      5.24461332    -13.16322669
  H     15.26831347      5.95184322    -10.37928740
  O     12.72848817      5.46457323    -13.51598343
  H     11.31242415      9.03581191    -13.69297363
  H     16.49921710      6.85070567    -10.06332532
  O     13.94182235     11.18306921    -12.83063027
  H     12.41629017      8.20553847    -13.03185531
  H     19.23207768      6.62890675    -13.62862290
  O     12.66462881     10.77015570    -16.20239626
  H     18.49673424      7.03756393    -11.42779139
  H     20.08053670      5.62794377    -12.80760958
  O     15.93017445      4.90245214    -16.17759759
  H     18.13030674      8.42713257    -10.84783399
  H     14.26358945      3.89182545    -11.27353117
  O     15.27963612      8.34753462    -16.25685423
  H     12.19697565      6.26848482    -13.50431805
  H     13.90641826      4.99564907    -12.29149466
  O     13.23958548      5.15010756    -16.31958623
  H     12.90167254      5.28169594    -14.44768271
  H     17.89824196     10.09999098    -12.91252977
  O     17.48682030      7.08519311    -17.22588717
  H     14.45207185     11.15208754    -13.65240570
  H     17.00780562      9.09635165    -13.68206103
  O     15.42534367     10.90425421    -15.20747521
  H     13.01174799     11.25572580    -13.07820160
  H     18.63975870      7.49963666    -15.75790702
  O     15.81940134      7.72426106    -13.66246931
  H     12.62103796      9.83556995    -16.44338578
  H     18.72585931      8.57403496    -14.64704993
  O     15.62142922      6.58501399     -9.74579058
  H     13.58956537     10.96841040    -16.01443063
  H     17.25817434     10.61131108    -10.85460331
  O     19.21514120      6.02373426    -12.86523847
  H     16.22068622      4.84900129    -15.25589588
  H     18.76113162     10.89211864    -10.62323172
  O     14.58846989      4.70026379    -11.66306151
  H     16.52857925      5.52235342    -16.60891386
  H     12.23742288      7.97043893    -15.40522303
  O     17.61577943      9.84380690    -13.79914872
  H     15.46097054      8.07621022    -15.34155936
  H     12.69463909      6.93999823    -16.45767374
  O     19.11304299      7.74308133    -14.95358387
  H     14.34168008      8.17463349    -16.40343740
  H     15.15803495     10.34380360     -9.99513535
  O     18.15753077     10.32840108    -11.09953341
  H     12.90538089      4.41050062    -16.82040171
  H     15.03055657     11.25107008    -11.24372310
  O     12.56342296      7.88651789    -16.31365187
  H     14.20938725      5.06069193    -16.30490191
  H     11.70076840     10.98234257    -14.75646104
  O     15.61025641     11.02871234    -10.50482499
  H     16.69602686      7.60041110    -16.98818586
  H     10.55286670     11.59786705    -13.92102295
  O     11.28763253     10.99206210    -13.87399343
  H     17.69396581      7.30201283    -18.13159172
  H     13.87716999      8.55065679    -11.02871790
  O     13.79111781      8.55824379    -11.98854106
  H     16.27358060     10.82449067    -14.74993043
  H     13.88496043      9.48176152    -12.26766392
          69
 Energy    -249.08723736988526     
  O     19.35111007      8.80863435    -15.68287460
  H     19.52007319      7.88704545    -15.43750589
  H     19.22298233      5.45126026    -15.23092494
  O     21.53516795      5.67148108    -12.82296092
  H     19.77209935      9.34358285    -15.00169121
  H     16.76941377      3.25280314    -12.99966725
  O     16.62054037      9.42690179     -9.98913376
  H     21.35094058      6.49776988    -12.34100657
  H     18.31285814      3.35556879    -12.86530724
  O     14.91229717     11.07149121    -11.41419700
  H     22.48218721      5.56045139    -12.82341166
  H     15.91890303      9.76432719    -15.00580569
  O     16.76078319      8.85944101    -16.45597949
  H     16.07961806     10.16097239    -10.31678626
  H     16.42059650      9.89704580    -13.56704329
  O     13.41799460      8.46015410    -13.60721169
  H     16.07746856      8.63637196    -10.12313611
  H     18.34462917      6.52420113    -13.49333606
  O     18.35578704      5.85613376    -10.23714333
  H     14.08927224     10.59150545    -11.25181080
  H     16.85049153      6.49716177    -13.02805164
  O     14.78676196      7.40680010    -10.64453474
  H     15.07732638     10.97861633    -12.35891633
  H     19.43051536      8.73766644     -8.47837452
  O     19.62468888      3.83747903    -11.72257655
  H     16.70875859      9.16718720    -17.35740235
  H     18.26817452      8.84179469     -9.48603170
  O     15.76754409      4.90762499     -9.80436993
  H     17.70179820      8.88661366    -16.20528845
  H     17.85821513      3.80244907    -15.06147967
  O     15.13477360      3.57100810    -12.06495419
  H     14.14712050      9.05172334    -13.84406882
  H     18.14487030      3.52531977    -16.55952356
  O     19.61725616      6.20905507    -14.77991803
  H     13.80218222      7.57630857    -13.58435924
  H     20.85382955      8.78555398    -12.19116039
  O     17.59239093      3.21322378    -13.49739823
  H     18.68547757      6.63129358     -9.77132922
  H     20.37706669      8.19535012    -10.84655439
  O     15.65221237     10.06941922    -14.12959522
  H     18.15917260      6.15576608    -11.13906745
  H     20.46530009     11.12895103    -13.26443642
  O     17.73958182      6.77781812    -12.78430691
  H     14.88277332      7.05029738    -11.53716872
  H     19.38024731     10.04966816    -13.03064556
  O     19.13825275      8.43771082     -9.33621606
  H     14.01410894      7.98606580    -10.66688154
  H     15.26440209      6.09439601    -14.16811059
  O     18.04756360      4.22571990    -15.92111441
  H     20.35545295      4.34854763    -12.08954359
  H     14.94849181      5.19866877    -12.91643104
  O     20.96099579      8.03342658    -11.59571468
  H     19.23801786      4.40926316    -11.04615817
  H     16.26417723      7.07124178    -16.02658882
  O     20.29070756     10.19474962    -13.34618343
  H     16.70873443      5.13094360     -9.81883505
  H     16.68624649      5.57322123    -15.91767870
  O     15.00422863      6.11019986    -13.23062741
  H     15.30938897      5.75412574     -9.88829406
  H     11.77256506      9.35274781    -11.00286165
  O     15.98260468      6.20176218    -15.71684784
  H     15.36010656      3.95896976    -11.19999147
  H     12.84185141      8.98800591    -12.06452206
  O     12.71126204      9.25759117    -11.13589179
  H     14.52000689      2.86176097    -11.89798653
  H     17.85348895      8.52259611    -12.65232054
  O     17.82572517      9.47888747    -12.49300036
  H     20.33734613      5.90720929    -14.21136442
  H     17.44485897      9.58696458    -11.61383151
          69
 Energy    -249.08703369507288     
  O     17.99698591      9.90284644    -15.01238831
  H     17.59904250      9.92973411    -14.12804514
  H     14.34054071     10.85996365    -14.18075537
  O     14.77208836      7.59565084     -9.63697201
  H     18.18202009     10.81037365    -15.27779448
  H     13.07874604      9.79952193    -11.14436084
  O     18.65648658     12.57923301    -15.44641661
  H     15.04626150      8.46212427     -9.31255598
  H     14.15549430     10.60987167    -10.40084864
  O     12.50975872      7.97050799    -11.08006334
  H     15.39490992      7.36833217    -10.34278004
  H     18.33049040      5.08654886    -13.34085788
  O     16.18901514      8.01868443    -15.93857492
  H     19.02166337     13.08657237    -16.16578346
  H     18.12758113      3.60894957    -13.74151642
  O     19.90460081      8.01337422    -14.57045574
  H     19.36022986     12.48418635    -14.77780574
  H     16.45087048      8.18367332    -12.14315305
  O     21.52281873      9.59507153    -13.03141218
  H     13.28223443      7.76172941    -10.52521891
  H     15.95999494      6.78854485    -12.61715906
  O     18.98243919      6.49021598    -12.35031715
  H     11.74109082      7.65750941    -10.61048858
  H     18.29715794      5.52507736    -15.55941799
  O     13.08444164      7.50645686    -13.80991624
  H     15.35732563      8.50796238    -15.92652097
  H     17.71503150      6.73876696    -16.30904008
  O     16.80859638     13.25138648    -13.36417742
  H     16.86100004      8.67011604    -15.69017260
  H     18.75210723     13.96507003    -10.98848461
  O     13.80145346      9.53339864    -15.42933366
  H     19.29245234      8.74945740    -14.72564694
  H     17.93115590     13.18690549    -12.04476337
  O     14.66706417     11.42724240    -13.47208816
  H     19.63521179      7.33001399    -15.19912396
  H     17.16424827     10.20446605    -11.78833792
  O     13.52207830     10.65635790    -11.12715960
  H     21.04715257      8.99356570    -13.62945929
  H     16.00141147     10.40970052    -12.82362291
  O     17.87386046      4.50056521    -13.96642530
  H     22.45113268      9.39294874    -13.12159957
  H     20.81669991     11.34180913    -13.25436658
  O     16.37737521      7.25363652    -11.88053759
  H     19.28142037      7.04705448    -13.08326153
  H     19.93547183     12.46128235    -12.63310509
  O     18.52615830      6.23495938    -16.17205342
  H     18.08322159      6.77026733    -12.11552608
  H     18.25035766     11.53699208    -10.50781465
  O     18.63137993     13.10008089    -11.37159688
  H     12.87364164      7.61820531    -12.87453596
  H     18.65531666     10.02820597    -10.32399312
  O     16.75983946      9.85657814    -12.59224504
  H     13.75886890      6.81843597    -13.87171125
  H     19.62828366      7.94555045    -11.12371025
  O     20.41532125     12.20135270    -13.42908623
  H     15.99915613     12.72874326    -13.43946266
  H     20.51022858      9.14748884    -11.48042536
  O     17.94002043     10.67279764    -10.20681882
  H     17.31244438     13.09962534    -14.17306642
  H     16.38229325     10.43608695     -9.38923254
  O     19.86811447      8.83204242    -10.83249846
  H     13.10753202      9.69954864    -16.06256639
  H     15.47467169     10.70774923     -8.17125570
  O     15.48846937     10.29998547     -9.03387791
  H     13.47679084      8.82869374    -14.83849162
  H     15.72431977      6.65853418    -14.81199068
  O     15.44892685      5.98516941    -14.17048465
  H     14.14807165     11.23966090    -12.67284986
  H     16.15024689      5.32372920    -14.14641259
          69
 Energy    -249.08688341153203     
  O     14.07722206      3.13961505    -10.66727072
  H     14.21178616      2.21041702    -10.44347879
  H     17.20281801      5.37821353    -14.70218072
  O     12.33256685      3.25029917    -12.85409902
  H     13.48387102      3.14821516    -11.43282457
  H     15.94892075      9.40271563    -10.61487778
  O     16.71568425      3.60943842    -11.61279768
  H     11.68244138      3.89947703    -12.56095786
  H     14.70546630      8.95878134     -9.80322849
  O     11.54897356      7.42978016    -13.64697631
  H     12.93327353      3.72312890    -13.45091639
  H     14.21217101      7.41313729    -12.47871047
  O     13.55587885      0.72098726    -13.21576622
  H     17.00074216      4.52550286    -11.49249086
  H     13.94608693      6.25470549    -11.46534894
  O     14.59470444      0.37943973    -10.55010071
  H     15.81912688      3.53802080    -11.25847690
  H     13.34641649      4.71722286    -10.08459355
  O     17.70607763      9.12322721    -13.78453263
  H     11.86645595      7.15307111    -14.51447817
  H     12.13459240      5.56412091    -10.58245712
  O     17.78044159      8.99783076    -11.07093230
  H     12.16306124      8.11246508    -13.34284556
  H     15.05598678      0.75605121    -14.13763132
  O     14.11734138      4.73670073    -14.30077096
  H     13.77884519      0.49467056    -12.30414959
  H     15.98150102      0.08606014    -15.18003606
  O     15.28767338     10.14681359    -14.88281815
  H     12.98585206      1.49873402    -13.16478342
  H     11.06418488      6.18722822    -12.53634742
  O     15.28608753      7.72347022    -16.02372751
  H     15.48456796      0.45355155    -10.94040414
  H      9.88697550      5.56415864    -11.75250023
  O     17.24820419      6.31902024    -14.49624850
  H     14.62630657     -0.33666166     -9.92214627
  H     16.17056628      6.44185102    -11.80602479
  O     15.00099004      9.54507589    -10.51408420
  H     17.71599291      8.25671960    -14.20641469
  H     17.44615059      7.17138806    -11.31565238
  O     14.46062951      6.50907830    -12.24077289
  H     16.93314583      9.58233798    -14.13762283
  H     16.69544399      3.55899064    -13.43929559
  O     12.94612078      5.59824208    -10.05905545
  H     18.54044051      9.45757155    -10.72460399
  H     16.45114148      2.59338744    -14.61692506
  O     15.94258002      0.79073552    -14.53889568
  H     17.79785230      9.11585822    -12.03797577
  H     17.07058141      1.76990832    -11.68670198
  O     10.82152105      5.47307853    -11.91919966
  H     14.95926973      4.28672462    -14.44376803
  H     16.77004386      0.71768489    -12.77091882
  O     17.12532365      6.33344060    -11.66735917
  H     14.25659760      5.39122242    -13.59775733
  H     12.39028346      5.89155358    -16.75615478
  O     16.59326428      3.52364780    -14.40285162
  H     15.26576845      9.31167302    -15.38705174
  H     13.21918202      5.67590146    -15.46614429
  O     16.94875318      0.82029437    -11.82829130
  H     15.17384071     10.85519089    -15.51023117
  H     13.62444174      6.95750340     -9.03960436
  O     12.77468808      6.34837784    -16.01210323
  H     14.44336339      7.26013414    -16.08606021
  H     13.80659866      7.68544319     -7.70051839
  O     14.05794968      7.71593327     -8.62051516
  H     15.90009181      7.15283666    -15.54258322
  H     14.16392422      9.52729817    -13.52377082
  O     13.66146975      9.09199569    -12.82501575
  H     17.27561745      6.35790753    -13.52943094
  H     14.05692164      9.36226354    -11.98001811
          69
 Energy    -249.08630065939084     
  O     -3.34793015      4.95660815      2.45227304
  H     -3.21288408      4.00247195      2.43001835
  H     -2.60927161      2.92809102     -1.95380474
  O     -2.77568755     -1.14897257      0.78205657
  H     -3.45794262      5.23236641      1.53372297
  H     -0.70512433      2.17551199      5.10230467
  O     -1.19147441      2.60952014     -3.13683665
  H     -2.07396450     -1.49277843      0.21506493
  H     -1.59458885      2.83297514      4.02682887
  O      2.03447905      0.43713590      3.76694884
  H     -2.35533162     -0.96140364      1.63156890
  H     -0.27135016      6.17700882      0.52575079
  O      3.13491879      3.81671322     -0.85837269
  H     -1.32011177      2.76387288     -4.06960455
  H     -1.59426821      5.78310861     -0.21691451
  O     -0.36300158      3.03789320      0.83324046
  H     -0.49088046      3.22293946     -2.85044304
  H     -2.13191090      1.35802129      2.58212719
  O     -0.08774369      0.41315569      5.44779464
  H      1.97717162      1.36195373      3.48542153
  H     -3.26067822      1.89030264      1.67834733
  O     -4.21798131      1.08102020      0.30928520
  H      1.85953541     -0.08577223      2.97485945
  H     -0.93657259      4.97663943      4.34305971
  O     -1.25805560     -0.14848221      2.94200014
  H      4.03572925      3.99235646     -1.11618404
  H     -1.93121607      5.61196528      3.36478652
  O      0.98798561     -0.61898735      1.33838368
  H      2.98759208      4.29170550     -0.02088079
  H     -0.49129139      0.94922964     -2.56720813
  O      1.36136149      3.06181697      3.03243981
  H     -0.47793099      3.92771147      0.47557507
  H      0.67687209      0.65347751     -1.61970990
  O     -3.32808958      3.19133689     -1.36593794
  H     -1.18960905      2.77884153      1.25402869
  H      0.64872794      7.84268950      2.24185286
  O     -0.92805184      3.02361437      4.69613256
  H      0.07400907     -0.04227325      6.26912575
  H     -0.00852201      6.51874944      2.69631928
  O     -0.64032946      5.63705043     -0.18487289
  H      0.74245795      0.38303428      4.93694071
  H     -3.44135480      4.76975008     -0.72036730
  O     -2.60336999      2.16763399      2.33088471
  H     -3.72812439      0.24322740      0.39236247
  H     -4.08048331      6.18145829     -0.75954411
  O     -1.08523451      5.76584917      3.81308192
  H     -5.14544964      0.86021255      0.34092918
  H      2.27887045      2.17966518     -0.51414735
  O      0.00815870      0.22557844     -2.17290792
  H     -0.96869583     -0.09523417      3.85996693
  H      0.83953490      2.03416056      0.01969754
  O      0.53447940      6.92823237      1.99797676
  H     -0.46029516     -0.26012870      2.40380950
  H     -0.36460408     -1.20625814     -1.29186612
  O     -3.43408860      5.65107734     -0.30229147
  H      0.56875334     -1.22765333      0.71840025
  H     -0.31822868     -2.75061610     -1.19321641
  O      1.60545663      1.52658761     -0.29476445
  H      1.31613567      0.11911884      0.80328375
  H      2.01112712      5.76268783      1.65185761
  O     -0.50196994     -1.96172392     -0.69074820
  H      0.70098282      3.16793501      3.72769752
  H      2.37384408      4.36502990      2.16617214
  O      2.62932301      5.03501514      1.51743266
  H      0.84658054      3.04674287      2.21228343
  H      0.24261491      4.92882193     -1.62063035
  O      0.68577943      4.36398089     -2.26972898
  H     -3.61272650      2.40455418     -0.88692487
  H      1.55792576      4.18008955     -1.90319857
          69
 Energy    -249.08607006671409     
  O     11.54799270      9.79485479     -9.62877803
  H     11.30034927      8.86753546     -9.51992777
  H     18.30618073      7.93014174    -16.92719835
  O     13.55772189      5.85517462    -15.75507653
  H     11.08217646     10.10020908    -10.41688335
  H     15.76389991     11.29332345    -13.12865386
  O     18.66379666      8.99894199    -11.20890015
  H     13.10543711      5.25146231    -16.33731010
  H     15.32349812     12.65008146    -13.72239250
  O     16.39149117     10.60855039    -16.28792760
  H     14.29060175      5.35952135    -15.34367635
  H     16.16131092      7.29455668    -13.08823291
  O     13.11868865     10.01398785    -13.17610258
  H     18.58138261      8.07839032    -10.93430360
  H     16.24330268      8.84669565    -12.97667595
  O     15.92828531      5.81448030    -12.04661423
  H     18.98997795      8.96705422    -12.11951390
  H     10.57302659      7.12682498    -10.62228900
  O     12.56386106      7.26038546    -13.55125828
  H     15.88208381      9.79147736    -16.38684695
  H     10.36878369      6.42217680     -9.25873692
  O     16.34188875     10.29838674    -11.80249073
  H     16.04053267     11.04211031    -15.50167272
  H     19.07486086      5.42068682    -14.06082246
  O     15.62308129      4.62800482    -14.55351895
  H     13.45638614      9.79849393    -12.29328884
  H     19.49009042      6.82495161    -13.59350920
  O     18.94697252      9.71933694    -16.53726523
  H     13.76536683     10.60507436    -13.57724699
  H     10.04997157      8.56579096    -12.28217906
  O     15.26259170      8.06518179    -16.14330807
  H     15.14163422      5.99179449    -11.51417659
  H     10.85190237      7.36706019    -12.80634451
  O     17.78518739      7.12145739    -16.98428969
  H     16.71225363      5.86922907    -11.48536873
  H     19.16425057      9.02590668    -14.81178965
  O     15.30131811     11.70877975    -13.87792456
  H     12.86065561      6.78800044    -14.33828813
  H     18.08860491      8.36373453    -13.92602532
  O     16.27774705      8.10798424    -13.59672138
  H     12.82129546      8.18774968    -13.63643941
  H     18.64514923      4.18359466    -16.23623679
  O     10.97861981      6.96487084     -9.75113543
  H     15.62709440     10.02126064    -11.21184345
  H     18.11505117      5.63357482    -16.15203359
  O     19.45653245      5.89872996    -13.31539202
  H     17.17746073      9.93835594    -11.47001569
  H     18.84324928      5.97394688    -11.69731871
  O     10.10115149      7.60258784    -12.24341442
  H     15.72911015      4.91180467    -13.63532548
  H     18.93361580      5.64009859    -10.18806235
  O     19.03293448      8.57691027    -13.96938392
  H     16.50875404      4.61651306    -14.93614477
  H     12.70588731      6.60399640    -10.45250584
  O     18.23379603      4.80962752    -15.64598607
  H     19.45678676     10.27927524    -17.11583956
  H     13.18186355      6.75982361    -11.91750635
  O     18.42283362      6.12590370    -10.82998011
  H     18.05961849     10.11644254    -16.47181629
  H     13.27171069      9.62665965    -10.14466631
  O     13.49386974      6.62456742    -11.00869495
  H     14.60540168      7.36197825    -16.17323647
  H     14.00392795      8.37535968    -10.68343276
  O     14.06414414      9.33762867    -10.61972497
  H     15.59857553      8.08366227    -15.23152948
  H     10.09735729     11.18705040    -12.65235164
  O     10.52637677     10.42756082    -12.26627107
  H     16.87232551      7.39132469    -16.81604062
  H     11.40424604     10.36292178    -12.67685820
          69
 Energy    -249.08581589043567     
  O     -4.73486617     -2.11659625     -4.90517340
  H     -4.29007830     -2.68554258     -5.54579071
  H     -1.68952458     -4.12189868     -2.89985088
  O      0.19436309     -3.92382512      1.73680035
  H     -4.43298996     -1.21907547     -5.09674279
  H      3.29546271     -4.96509510     -1.78768892
  O     -3.14175768     -0.79602620     -1.31420929
  H      1.00672862     -3.44518685      1.49040252
  H      1.83927322     -4.68860746     -1.34798243
  O     -1.29719847     -2.36779723     -0.05120371
  H      0.27140490     -4.14567867      2.66021538
  H      0.20070249     -5.01441210      0.12989992
  O      0.00085908      2.59311451     -3.51497801
  H     -2.55905882     -1.24982230     -0.68870378
  H     -0.54185337     -5.12636268     -1.21787213
  O     -1.90369058     -1.14304598     -7.37986597
  H     -3.75544553     -1.46411985     -1.64424607
  H      0.88693041     -0.15096395     -5.33710684
  O      1.36663880     -3.21436214     -5.33337381
  H     -0.90961373     -2.85748578      0.68374864
  H      1.47810659     -0.48378078     -3.93952103
  O     -4.59923332     -2.98524169     -2.34693216
  H     -1.48753492     -3.01502675     -0.74659871
  H     -0.29994984     -3.60565624     -4.84412062
  O      0.81145266     -0.68219704     -0.76120442
  H      0.38807782      1.80584903     -3.92439575
  H     -1.37650357     -2.66067197     -4.24803946
  O     -1.54923914     -0.99520126     -3.65564734
  H     -0.89180980      2.68285887     -3.86819985
  H      1.17617699     -0.66523122     -7.80348297
  O      2.08258656     -1.88750717     -2.90303890
  H     -2.42639145     -0.53826037     -6.83606753
  H     -0.18858577     -1.01826110     -7.16755820
  O     -2.04214321     -4.23141070     -2.00425699
  H     -2.30434847     -2.01266565     -7.26403879
  H      2.63199187     -3.13230098      0.01335885
  O      2.69317477     -4.26601432     -1.54724351
  H      1.25264746     -2.51304209     -5.98758299
  H      1.95046317     -1.78450745      0.31480153
  O      0.29447405     -5.32549838     -0.77925244
  H      1.67796468     -2.77856600     -4.52886723
  H     -3.07720962     -4.50697660     -7.00866191
  O      0.91233732      0.13884160     -4.41532076
  H     -5.46945795     -3.27052863     -2.08069511
  H     -2.37767302     -3.72734623     -5.86928005
  O     -1.22020145     -3.57052839     -4.54706698
  H     -4.67429329     -2.69097284     -3.27261165
  H     -3.24338639      1.17887850     -5.08770821
  O      0.76635090     -0.94803367     -6.99041469
  H      0.04027043     -1.21989081     -0.53252763
  H     -2.67413076     -0.21790760     -4.80359332
  O      2.32558134     -2.56937282      0.73592422
  H      0.54070351      0.24354860     -0.75227924
  H     -2.90225846      2.48963015     -3.19262798
  O     -3.03317809     -3.65397096     -6.58504787
  H     -1.94880811     -0.81019155     -2.79791404
  H     -3.25755767      3.60287211     -4.20473114
  O     -3.28704491      0.26251821     -5.38284538
  H     -0.71098417     -0.52465597     -3.74452772
  H     -1.92550792      2.01501136     -1.18064165
  O     -2.82731070      2.75511411     -4.12737630
  H      1.63479442     -1.42942302     -2.17577190
  H     -3.07830734      1.02076480     -1.39906124
  O     -2.82014203      1.94325809     -1.53389456
  H      2.39674944     -2.71659990     -2.52042442
  H      0.38307687      2.71534927     -0.36793100
  O     -0.01486085      2.01247235     -0.87557578
  H     -2.96488878     -3.95362133     -2.05493500
  H      0.05383296      2.27087206     -1.81300442
          69
 Energy    -249.08575463074240     
  O      2.30981140      2.27279139      5.28756552
  H      1.73305532      2.88933269      4.80508768
  H      0.08769337      4.53298431     -2.09856155
  O     -1.39542878      2.58173738      0.79199356
  H      2.52586163      2.69310759      6.11607790
  H     -3.48438899      1.85410951     -1.31820020
  O     -0.09336565      2.85599798     -2.42344821
  H     -2.19110036      2.24690083      0.35913836
  H     -4.05451115      2.96816999     -0.33806346
  O      0.61409529     -0.65690864      1.19397904
  H     -0.61878440      2.21048951      0.35847230
  H     -2.30869025     -0.94988817      0.23150405
  O      0.68463128      3.86472447      3.76033093
  H      0.44134956      2.38931474     -1.76379581
  H     -0.81608593     -0.83985480     -0.07260299
  O     -4.24605919      4.56220596      0.52882044
  H     -0.86231930      2.29319534     -2.56841850
  H     -4.66019432      2.43028623      2.77557719
  O      3.79562406      1.49459838      2.98219051
  H      1.44951062     -0.91435667      1.60351405
  H     -5.21710080      3.49747681      3.74709910
  O      1.23095837     -0.35167649      4.82555126
  H      0.02166452     -0.41357252      1.91931247
  H     -2.67953564      2.91673659      3.55385222
  O      2.20538372      5.81105074      0.07346836
  H     -0.18878038      3.44874422      3.75932823
  H     -1.59982726      2.59459489      2.50304614
  O     -1.53157379      5.33027987      0.42176374
  H      0.57619786      4.75796865      3.40148449
  H     -2.50558772      0.48180946     -3.28601868
  O     -1.07737714     -0.07912988      3.39104027
  H     -3.39892473      5.02564015      0.49386642
  H     -2.03649386      0.33977218     -1.82150724
  O      0.19937624      5.46967403     -1.85212205
  H     -4.35537904      4.27556385      1.44399937
  H     -3.23791363     -2.19566040      2.31211695
  O     -3.86568481      2.02336046     -0.45075305
  H      3.44766426      1.75619348      3.84438484
  H     -2.38320078     -0.93247589      2.55519799
  O     -1.68703300     -0.75208565     -0.47893747
  H      3.44878143      2.14919159      2.36190622
  H     -4.59246498      1.24762359      1.00435422
  O     -4.48156366      3.30316431      3.17224970
  H      1.57873772      0.51284513      5.07786642
  H     -4.32241482      0.11745701      2.00930622
  O     -1.76639944      2.62155164      3.46072749
  H      1.85852854     -0.71298936      4.18759444
  H      1.73046021      3.52054729      2.24950494
  O     -2.25344125      0.98705259     -2.51725067
  H      2.91118923      6.33476626     -0.29855836
  H      2.38498643      4.21287426      1.02217628
  O     -3.08083141     -1.31044851      1.99272775
  H      1.54052756      5.70372777     -0.62488704
  H      0.98671921      0.79865533      0.20464963
  O     -4.81180294      0.93983260      1.89692821
  H     -1.46452346      4.37483647      0.57412977
  H      1.57092223      2.23362688      0.34574114
  O      2.32828390      3.37806937      1.50230310
  H     -1.05260819      5.49618758     -0.39790172
  H      3.72887543     -1.66009355      2.61268022
  O      1.05367362      1.65717974     -0.23382901
  H     -0.33815817     -0.23641416      3.99675255
  H      3.34306957     -0.16456253      2.70985062
  O      2.98291404     -1.06757281      2.64494574
  H     -1.35522852      0.83885535      3.50823454
  H      1.08954752      6.24614897      1.67655132
  O      0.37317238      6.17355175      2.31642896
  H      0.00737282      5.98254061     -2.63278776
  H     -0.40950113      5.98541553      1.77916406
          69
 Energy    -249.08575028699073     
  O     -5.65949140      1.46792101      1.67818787
  H     -5.37293885      1.41870362      2.59817497
  H      0.45180293      0.89337123      2.34578403
  O     -2.31203660      4.27299898     -2.39637544
  H     -4.85307979      1.41176401      1.13872538
  H     -2.30691330      2.54463370      0.89535283
  O     -2.62009612     -0.92246426     -1.07822717
  H     -2.09787832      3.58168322     -3.03557628
  H     -1.09256029      3.48394411      0.70892807
  O      0.34093227      1.55387179     -2.16055929
  H     -3.23106364      4.11165726     -2.15013453
  H      2.97631940      0.18268148     -0.61491986
  O     -3.64274617      0.27941257     -3.35299034
  H     -1.68540761     -0.90388720     -0.82939362
  H      3.50764906     -1.20198386     -0.17193764
  O     -1.68373723      1.99474164     -4.04670520
  H     -3.08926293     -1.44859018     -0.41776792
  H      2.27003806      2.12442957      1.59920393
  O     -0.11162587      3.91865754     -0.78265792
  H     -0.33359612      1.61783896     -2.84794532
  H      2.50002033      0.60818784      1.44993082
  O     -0.03387576     -0.46424809     -0.24125575
  H      0.10795972      0.83222329     -1.56150882
  H     -5.44596138      2.65368625     -1.89886150
  O      3.04058922      1.70288281     -1.48669756
  H     -4.54722355      0.49857032     -3.10444380
  H     -5.29301033      3.73551575     -0.78377136
  O     -6.26101737     -0.56528282     -0.10781376
  H     -3.29036918     -0.26994796     -2.63777922
  H     -3.37797929      0.16236913      3.38001084
  O     -4.07679945     -2.08920716      0.99199042
  H     -1.58917770      2.00606544     -4.99554203
  H     -2.02736713     -0.16814171      2.71396425
  O     -0.49771707      0.74379540      2.22999668
  H     -2.41455693      1.38397190     -3.84429755
  H     -6.25525841      0.39890973     -1.57520330
  O     -1.67220837      3.09906303      1.37729050
  H     -0.86478133      4.26664798     -1.28186318
  H     -7.02867329      0.83063162     -2.84056111
  O      2.78340704     -0.59295199     -0.05803672
  H      0.09953082      3.07979354     -1.21953110
  H     -3.81324349      2.13345006     -0.68116168
  O      2.18740009      1.28292257      2.06481917
  H     -0.24321332     -0.05806551      0.61277657
  H     -3.16854814      0.72735127     -0.42491780
  O     -4.87713850      3.36399874     -1.57320417
  H      0.90578670     -0.68285362     -0.21345174
  H     -2.94224124      3.81480075      2.46784161
  O     -2.91907302     -0.51064538      2.86515950
  H      2.17227986      1.67364003     -1.91487188
  H     -4.41471234      4.24231490      2.30227249
  O     -6.23028836      0.99430165     -2.34487447
  H      2.99258799      2.44240095     -0.86861293
  H     -6.77085100      4.50443295      1.19963222
  O     -3.44463329      1.54999729     -0.00477899
  H     -5.59693128     -1.20055437      0.18393064
  H     -5.97956695      3.17582366      1.24164367
  O     -3.75723010      3.99480708      2.96031610
  H     -6.27382383      0.10907287      0.58613317
  H     -4.50727255      1.71709671      5.08829625
  O     -5.94023000      4.10399571      0.95355831
  H     -3.68280142     -1.53523378      1.69064243
  H     -4.10492156      2.49510452      3.81344842
  O     -4.36586264      1.61931672      4.15073583
  H     -4.09967293     -2.97999130      1.33125734
  H      1.48605346      3.90570208      0.05979947
  O      2.34515316      3.70118610      0.46412854
  H     -0.88735569      1.60811919      2.03632467
  H      2.72699134      4.53616032      0.72414625
          69
 Energy    -249.08565597409950     
  O     11.31698334     10.10389785     -9.71063554
  H     10.92325924     10.72309376     -9.10222931
  H     16.88435470     12.48604442    -14.16177908
  O     13.47241208      5.68251775    -15.70831431
  H     10.84560244     10.20161080    -10.55823980
  H     16.12050694      7.13182040    -13.06870133
  O     18.29515793      8.74911044    -10.86405962
  H     14.22732016      5.21056717    -15.30959014
  H     16.19113856      8.69313730    -13.02917137
  O     12.55308161      9.89827592    -13.66070831
  H     13.09307306      5.09789586    -16.35849503
  H     10.46780656      7.20392843    -10.74700284
  O     15.73212606      5.67927957    -12.03168421
  H     18.20276731      7.82248565    -10.61513748
  H     11.10161671      8.17275406     -9.73458726
  O     12.21757644      7.09701798    -13.64362712
  H     18.75883346      8.73512831    -11.71356340
  H     19.49059597      6.63726482    -13.23125359
  O     16.30655209     10.23493171    -12.00613079
  H     12.44489052      8.94716535    -13.79334374
  H     18.98387385      5.34383357    -13.87068058
  O     15.60235247      4.53146331    -14.55776035
  H     13.15351629     10.22148368    -14.34722842
  H      9.04904894      6.79549743    -12.95020656
  O     18.81392624     10.10871133    -15.78845869
  H     14.96441493      6.06655058    -11.58713301
  H     10.53979030      7.20091200    -13.00642583
  O     15.16036782      7.93702600    -16.08712420
  H     16.48148121      5.68644809    -11.42302395
  H     19.23515190      9.00895260    -14.28620085
  O     17.83528074      7.53539488    -16.75904236
  H     12.74200821      6.97927180    -12.83902214
  H     18.14184955      8.14578639    -13.63986891
  O     16.90699875     11.54540367    -14.32313711
  H     12.62319649      6.57973050    -14.34984743
  H     18.62638684      4.52637640    -16.23149330
  O     16.30138885      7.92003515    -13.59729794
  H     15.44404579     10.18949301    -11.57202738
  H     18.11139145      5.96357921    -16.00742273
  O     11.05704616      7.24056207     -9.98329600
  H     16.96782378      9.79505158    -11.44995391
  H     18.57676749      5.32097227     -9.97683549
  O     19.35989090      5.69470757    -13.05483393
  H     15.64814023      4.79131482    -13.62684397
  H     18.62334128      5.72181065    -11.47127559
  O      9.70426156      7.34799707    -12.53187104
  H     16.48385704      4.67140582    -14.92423946
  H     14.66021061      9.70348487    -15.87666535
  O     19.07213586      8.40818528    -13.55249585
  H     18.14018657     10.63190500    -15.32582627
  H     15.26197640     10.95477549    -15.20634592
  O     18.19479300      5.08772714    -15.59185257
  H     19.31908960     10.72093472    -16.31821500
  H     12.71231042      6.94705248    -10.65484875
  O     18.14239198      5.85793999    -10.63411495
  H     15.55853420      7.92356843    -15.20007337
  H     13.73735517      8.00144531    -11.12159628
  O     14.43707338     10.57982158    -15.53119564
  H     14.53107451      7.20828220    -16.11027729
  H     13.33808471      9.95073832    -12.04825603
  O     13.53243321      7.05773700    -11.15742492
  H     16.87849196      7.67260135    -16.70760087
  H     13.01262799     10.02731803    -10.53329350
  O     13.72513316      9.86343860    -11.16245537
  H     18.22864730      8.37820583    -16.50989540
  H      9.83975946      9.25459099    -12.32149942
  O     10.18095938     10.14612688    -12.17701307
  H     16.71741003     11.11668629    -13.47040701
  H     10.92524949     10.23801396    -12.78852400
          69
 Energy    -249.08546677248944     
  O     -1.18841657     -2.49341105     -1.61499931
  H     -1.29281332     -2.46540244     -2.56221744
  H     -0.23063572     -6.56359760      2.00190090
  O      2.01829293     -0.54705094      1.34944450
  H     -2.02445091     -2.83642113     -1.24967023
  H      2.59240477     -3.41929299      4.73683633
  O     -1.96424389     -0.15337050      2.32359051
  H      1.23143437     -0.45600318      0.78090142
  H      1.72253728     -2.15288482      4.62476542
  O      0.53559253     -2.93997680      7.34200867
  H      2.57843853      0.20312462      1.16979327
  H     -0.23693973     -4.40532343      3.00421444
  O     -5.61528856     -2.87702911      6.07412676
  H     -1.14911844     -0.53426574      2.67370163
  H     -1.61918375     -3.77073630      2.70006822
  O     -1.26601041     -1.48436513      5.74436266
  H     -2.41333894      0.22685606      3.08927759
  H     -3.42634813     -4.91322227      2.28801094
  O     -0.63029110     -5.25375119      6.05946473
  H      0.97157783     -2.87634095      8.18725096
  H     -3.72436830     -3.39777934      2.52583587
  O     -5.40417377     -1.03533024      3.97827399
  H      1.22704632     -2.86554651      6.65904146
  H      3.94300237     -5.21123855      3.49947175
  O     -0.30818618     -0.34419275      0.00637380
  H     -6.16310667     -3.56180713      6.44975984
  H      3.01359945     -4.26059205      2.70714110
  O      0.50717538     -5.89586484      3.64223888
  H     -4.72127832     -3.24933715      6.02467419
  H     -4.74821838     -1.57899800      2.41469518
  O     -3.25477521     -6.03450039      0.84187710
  H     -0.73432230     -1.90185867      6.43490759
  H     -3.36514226     -1.28306713      1.79538225
  O     -0.61538044     -6.61376175      1.11703352
  H     -0.67584778     -1.37827246      4.98559581
  H      1.98993992     -3.68291384      0.74414864
  O      2.22464321     -2.68843522      5.24948885
  H     -0.17903581     -4.58503456      6.58688184
  H      2.60074673     -2.37251027      1.27198485
  O     -0.66831010     -3.62752214      2.62105331
  H     -1.53064908     -4.91974132      5.95574237
  H      0.06158260     -2.18181715      3.14161311
  O     -3.35990973     -4.19756215      2.93228914
  H     -4.71515573     -0.46262869      4.33397546
  H      1.02105104     -0.98640301      2.81447528
  O      3.10213895     -4.76328944      3.53756094
  H     -5.60497701     -1.66545648      4.68434466
  H     -0.07353966     -3.90728526      0.91779241
  O     -4.13914768     -1.85499227      1.71167727
  H     -0.63319130     -1.03863658     -0.58049811
  H     -0.10215853     -3.64155902     -0.60619894
  O      2.71119875     -3.32975630      1.28358673
  H     -1.01721745     -0.14788690      0.63033829
  H     -3.11437298      1.19511914      5.45386091
  O      0.39936272     -1.32905687      3.46982490
  H      0.13883514     -5.78306646      4.53272159
  H     -2.49439035     -0.21071249      5.30262683
  O      0.33920765     -4.15920046      0.07691294
  H      1.43568057     -5.63383737      3.66898649
  H     -2.45727684     -2.97106770      5.62054296
  O     -3.07290389      0.43949387      4.87233113
  H     -2.32221640     -6.30145774      0.92597924
  H     -3.18166104     -3.97763975      4.68104552
  O     -3.00945647     -3.76319840      5.61139519
  H     -3.74558747     -6.81848018      0.61071687
  H     -3.40269532     -4.35930629     -0.10766309
  O     -3.41954381     -3.46921670     -0.47799040
  H     -0.18622679     -5.91630723      0.60319916
  H     -3.80341832     -2.89198589      0.19612688
          69
 Energy    -249.08534655503587     
  O     -2.88707337      2.55556494      4.28500645
  H     -3.85284198      2.54606469      4.30434310
  H     -4.99721088     -4.14644825      1.63359792
  O      0.14175874      4.71259350      2.38327226
  H     -2.66763182      2.98477383      3.44399600
  H     -3.24048544      2.47866311     -0.83251751
  O     -0.59067479     -0.76823746      2.34148173
  H      0.78637441      5.40046506      2.24200857
  H     -2.51463397      2.92937515      0.49025161
  O     -4.27841514     -0.28727724     -1.99860011
  H      0.48205712      3.91488578      1.93791228
  H     -5.37692739      4.01786997      2.54417513
  O     -1.87389551     -1.49308269     -1.59562969
  H     -0.55344559     -0.31683023      1.48543244
  H     -5.66609543      4.31291081      1.07999376
  O     -4.25116308      0.82845069      1.52475670
  H      0.09019557     -0.35772793      2.88871460
  H      1.27529069      1.81604010      2.11663977
  O     -5.54396059      2.39727995      3.47414330
  H     -4.44237458      0.65828929     -2.07218368
  H      0.66070808      1.76828059      0.70869661
  O     -7.66737236      0.99389698      0.99160847
  H     -4.89829409     -0.60943342     -1.32846297
  H     -3.33235520      4.44926427      1.88279354
  O     -2.90223139     -0.18480477      3.75102136
  H     -1.67156374     -2.00958436     -2.37126654
  H     -1.73354532      4.51037797      2.04205421
  O     -4.74310753      2.59004975     -1.91648025
  H     -2.72062374     -1.04573438     -1.77231138
  H     -4.53370639     -1.05786566      3.96913434
  O     -5.84483320     -0.96865821      0.20338282
  H     -3.62442195      1.25042482      0.92561192
  H     -5.31038095     -2.10519431      3.15480673
  O     -4.90287094     -3.19806349      1.65206453
  H     -3.74846133      0.39100778      2.22522189
  H     -0.02443634      3.66828816      4.03219317
  O     -2.55380278      2.24649195     -0.19730359
  H     -5.14415499      1.92503254      2.72658072
  H     -1.09602468      2.82881578      4.75564854
  O     -5.16005918      4.63780991      1.83248451
  H     -6.27886894      1.84153219      3.75537975
  H      1.98689792      0.62851373      4.33900233
  O      1.07649254      2.36215327      1.34575554
  H     -7.19883387      0.23610741      0.61500516
  H      0.75562903      1.54960710      4.17339145
  O     -2.50268426      3.94972329      1.89320011
  H     -7.70096888      0.82621804      1.94078044
  H     -8.10745610      0.09842403      4.42661768
  O     -5.41405381     -1.43740388      3.84308898
  H     -2.80104584      0.72629901      4.05859197
  H     -6.74615971     -0.31029168      3.81958304
  O     -0.14176850      2.96448016      4.68175729
  H     -2.07063204     -0.44094352      3.33017251
  H     -2.18825754     -2.27998809      0.10030190
  O      1.25057491      0.81771799      3.76369792
  H     -4.84870201      3.11348093     -2.70751370
  H     -1.69459278     -2.12825210      1.55185386
  O     -7.44885061      0.36449198      3.79117733
  H     -5.48052660      2.82037515     -1.32889709
  H     -1.19613899      1.16451727     -0.19303150
  O     -2.34075111     -2.58744613      1.00257213
  H     -5.29952478     -0.32723431      0.69034465
  H     -0.77642435     -0.21442959     -0.72312100
  O     -0.48750119      0.50240740     -0.14651523
  H     -5.66920348     -1.82306185      0.61371369
  H     -7.09827404      2.47176498      0.26850328
  O     -6.79556479      3.27873379     -0.18544554
  H     -3.96967361     -3.00703374      1.44682300
  H     -7.58357505      3.77533576     -0.39334458
          69
 Ord_Energy   -249.085281    
 O    2.53378296      -1.43815649      0.865202188    
 H    2.62953806      -1.77185297       1.75278711    
 H    1.93683922     -0.667844474      0.917074442    
 O    5.82981873       2.35325003      -4.81782722    
 H    6.63440275       2.82906890      -4.63154507    
 H    5.85031748       1.53844500      -4.28006077    
 O    1.38732052       3.22362471     -0.186966136    
 H    1.13708138       3.60417819      -1.04803944    
 H    1.50283456       3.95832396      0.410181612    
 O    4.80600262      0.972161412      -7.03337812    
 H    5.22849989       1.49305129      -6.33206940    
 H    5.37652683       1.02544141      -7.79657984    
 O    5.73735952       1.34538198E-02  -3.52474809    
 H    5.18332434     -0.524272680      -4.10729074    
 H    5.49038649     -0.229803711      -2.62476492    
 O  -0.671476841       2.02494669      -6.30506563    
 H   0.279672474       2.03189063      -6.47321415    
 H  -0.944571733       1.09980452      -6.33293009    
 O   0.970952988       3.00302394E-02  -2.66114259    
 H    1.68214846      0.587163746      -2.32180405    
 H    1.00011766     -0.800622821      -2.16933489    
 O    2.13133240       1.67514253      -6.35722637    
 H    1.84753275      0.830240786      -5.97392511    
 H    2.98095608       1.50164509      -6.77782011    
 O    3.06464291       1.64707863      -1.76823688    
 H    3.14182711       2.14720941      -2.59163833    
 H    2.60041380       2.20457530      -1.13051748    
 O   -1.36949658       3.50993776      -4.15457726    
 H   -1.14105070       3.00536132      -4.95543623    
 H   -2.07152343       4.10785246      -4.39746618    
 O    3.15059471       3.07444263      -4.16723108    
 H    2.70131230       2.64169145      -4.90702343    
 H    4.09364700       3.00525403      -4.35750818    
 O   0.955888152       4.17819977      -2.68644404    
 H   0.158731729       4.00722933      -3.20319104    
 H    1.70548296       3.95811558      -3.25298500    
 O   -1.64119732     -0.227112278     -0.119487509    
 H   -1.70653355      -1.11148584     -0.496100515    
 H   -1.75888824      0.377000004     -0.865966678    
 O   -2.32370663      -1.15947902      -3.78997111    
 H   -2.20918489     -0.292626500      -3.37509727    
 H   -2.10418463      -1.80217552      -3.10565257    
 O   -1.26681030     -0.794185102      -6.23357821    
 H   -1.75078797      -1.28912807      -6.88860559    
 H   -1.69519866     -0.968037724      -5.37521267    
 O   -1.54538870       1.20113897      -2.52860260    
 H  -0.640604377      0.855041564      -2.58257914    
 H   -1.55923975       2.03255653      -3.01378465    
 O    1.21180177      -2.47865510      -1.39553881    
 H    1.94078982      -2.70615959      -1.99337971    
 H    1.61102164      -2.22277451     -0.554057956    
 O    3.48878527      -2.70446086      -2.87595677    
 H    3.73254180      -2.45566678      -3.77290773    
 H    3.89639258      -2.04278851      -2.29884434    
 O    4.05199146      -1.31367493      -5.37063980    
 H    4.36131477     -0.714099765      -6.05825472    
 H    3.08876777      -1.20437658      -5.34920025    
 O    4.41371870     -0.655566633      -1.12701976    
 H    3.99076533      0.190076098      -1.34604287    
 H    3.93702316     -0.980971873     -0.354429513    
 O   -1.50577641      -2.75584054      -1.56504416    
 H  -0.534803033      -2.74695635      -1.51733446    
 H   -1.78538978      -3.61526060      -1.25968862    
 O    1.35122967     -0.730937421      -5.26401043    
 H   0.485827535     -0.890446007      -5.65931129    
 H    1.20126462     -0.484090805      -4.33887053    
 O   0.801096916      0.604431272      0.876963317    
 H   0.911001205       1.50800562      0.564607322    
 H   -8.36643204E-02  0.319847852      0.602039516    
          69
 Energy    -249.08521600247263     
  O     10.61931219     13.40463244    -10.29790113
  H     10.48430933     13.05358929    -11.18674788
  H     12.37123479     12.67020526    -12.89451842
  O     11.42508780      8.20677017    -16.30407406
  H     10.44004301     12.68240247     -9.68481957
  H     15.47411658      8.34291586    -11.77071865
  O     11.38123168      9.29778228    -10.03994512
  H     11.16433951      7.55937345    -16.95297775
  H     16.29450459      9.56017360    -12.32569476
  O     12.96295665      8.47797594    -13.97122863
  H     10.60546572      8.59147919    -15.94324747
  H     14.31348294      6.09156597    -12.32276833
  O     12.33993610     10.93084373    -16.56358433
  H     10.96046741      9.88443884     -9.39968925
  H     13.72597854      7.46497246    -12.71555847
  O     10.65264426      9.47514502    -12.67533182
  H     12.15642885      9.77707541    -10.37951550
  H     14.90247365     15.49633758    -11.58752750
  O     14.90081843      9.37766704     -7.52484099
  H     13.49644244      9.26254222    -14.16689364
  H     14.15939176     14.48955586    -10.67620175
  O     13.59798748     10.71432494    -10.89730940
  H     12.49428663      8.24786970    -14.78404619
  H     13.83047066      7.37719902    -10.11802668
  O     13.36336775     11.59209797     -8.26652844
  H     13.13369001     10.94874427    -16.01264198
  H     12.69199818      8.11299125     -9.40734340
  O     16.72441371     12.52576151    -11.52258585
  H     12.09795237     10.00029896    -16.64167924
  H     16.90610298     11.47754984    -12.87487140
  O     10.62165503     11.33145535     -8.26963807
  H     11.46662864      9.14669414    -13.07983501
  H     17.85805596     10.83833988    -13.91502740
  O     13.33587842     12.61471179    -12.92318079
  H     10.72927058      9.30031250    -11.72805780
  H     10.33750313     12.39474314    -13.83027613
  O     15.91305745      9.16692404    -11.53068824
  H     15.18920284      8.87279775     -6.76911737
  H     10.59092525     11.30893153    -12.76402133
  O     14.22597521      6.99453091    -12.02743695
  H     14.46789035      8.74865827     -8.12791713
  H     14.00005448     11.47828174    -14.06806312
  O     14.70031904     14.57086799    -11.48322311
  H     13.52862964     11.39030612    -11.58194113
  H     15.31952242     10.76055801    -14.42622255
  O     13.55424912      7.70218377     -9.25469892
  H     14.41150092     10.22107427    -11.05709667
  H     10.92462156     11.82576665    -16.02171425
  O     16.96948096     10.79784982    -13.57303946
  H     13.50107076     11.40017610     -9.20756996
  H      9.78926659     12.83029000    -16.32974293
  O     10.59107717     12.26630457    -12.90767536
  H     13.87942974     10.92356256     -7.80099262
  H     16.59151501     10.06466292    -10.07495868
  O     14.37577760     10.77578915    -14.62253773
  H     16.73988339     12.05365946    -10.67740983
  H     16.20728206     10.38509890     -8.63548373
  O     10.09611492     12.20547130    -15.67824360
  H     16.08630237     13.24249349    -11.44256317
  H     13.30708400     13.44083274     -8.80476426
  O     16.72456533     10.72012409     -9.37438381
  H     10.21702090     11.48654007     -7.42005579
  H     12.20856401     14.04026781     -9.70557437
  O     13.10459177     14.19581889     -9.36876913
  H     11.57868315     11.46488913     -8.15455069
  H      9.39950486     10.41517951    -15.36481105
  O      9.33052216      9.47896971    -15.14108901
  H     13.72462721     13.39311591    -12.50540131
  H      9.59650140      9.41468045    -14.21249106
          69
 Ord_Energy   -249.084763    
 O   -2.43793893       7.50161266       1.45314276    
 H   -3.04796576       8.11660480       1.87492728    
 H   -2.71121693       7.37235117      0.535272300    
 O   -3.77561069       3.72236872       5.68845606    
 H   -3.86190033       3.12517715       4.93546152    
 H   -4.65089607       4.10899115       5.81266451    
 O   -2.01746988       9.50674343      -1.57230008    
 H   -2.60427904       10.2291641      -1.31547797    
 H   -1.19228256       9.66512871      -1.09971321    
 O   -4.24246359       2.07981420       3.32005501    
 H   -4.09411335       1.14092648       3.23570585    
 H   -3.95402288       2.48137856       2.48331261    
 O   -4.67461205       6.72800303       4.07747507    
 H   -3.79378128       6.46616554       4.37902832    
 H   -5.30873823       6.27461529       4.64642382    
 O   0.261651605       7.81042814       1.66269565    
 H  -0.707592249       7.79795837       1.58664632    
 H   0.560895920       6.96410322       1.30947864    
 O   -3.55471969       3.50126123       1.07231975    
 H   -4.23190928       4.18809462       1.17014098    
 H   -3.02412391       3.72923279      0.294301540    
 O   -5.86843348       7.29032326     -0.522997737    
 H   -5.78211880       8.19800758     -0.176895157    
 H   -6.64454508       7.27651548      -1.07645142    
 O   -4.21693611       9.14855957       2.88760066    
 H   -4.46777344       8.37993813       3.42048693    
 H   -3.57139087       9.66378593       3.38684964    
 O   -6.35009670       5.03555679       5.56861019    
 H   -7.12119484       5.06057882       6.12792063    
 H   -6.58151245       4.49846697       4.78943157    
 O   -1.72496402       11.5603800       1.48780417    
 H  -0.972122610       11.1062088       1.08829999    
 H   -1.79914844       11.2355957       2.39242339    
 O   -5.47264767       9.72923470      0.500764251    
 H   -5.12617064       9.59921741       1.39547324    
 H   -4.91802597       10.4105711      0.102572270    
 O   -3.60152102       11.6087427     -0.466062754    
 H   -3.71367741       12.5029192     -0.777203321    
 H   -2.97260857       11.6475773      0.277197421    
 O  -0.659750998       8.19578838       4.40084553    
 H   -1.10658252       7.39223862       4.69859552    
 H  -0.176192358       7.97711706       3.59611845    
 O   -5.40809631       5.49514484       1.61272013    
 H   -5.11560535       5.99401236       2.38732409    
 H   -5.61325550       6.12183571      0.908724368    
 O   -2.14531803       5.82899952       4.95123816    
 H   -1.85827303       5.47101545       4.09732437    
 H   -2.60329390       5.09823751       5.39147425    
 O   0.282864571       10.0753584      0.122010887    
 H   0.393793643       9.28183651      0.671024919    
 H    1.15595925       10.3433580     -0.153670266    
 O   0.534604847       5.13910675      0.740108669    
 H    1.17908227       4.44800663      0.873910725    
 H  -0.168264806       4.99360180       1.39718437    
 O   -1.65413725       5.03516483       2.38951564    
 H   -2.26932263       4.38915825       2.02060056    
 H   -1.97091138       5.90256500       2.08939028    
 O   -6.66823196       3.60298562       3.28775382    
 H   -6.40985012       4.23494387       2.60279846    
 H   -5.95678043       2.95063424       3.31564927    
 O   -3.13239717       7.04096889      -1.19108653    
 H   -4.09095430       7.12569141      -1.12082028    
 H   -2.76415920       7.89862585      -1.45633602    
 O   -2.07596350       10.4789333       4.11508608    
 H   -1.53767073       9.68028069       4.25980091    
 H   -2.01180410       11.0011692       4.91029215    
 O   -1.91476858       4.53698063     -0.888646543    
 H   -1.02939153       4.74190235     -0.573468387    
 H   -2.31889129       5.38752317      -1.11567616    
          69
 Ord_Energy   -249.084152    
 O   -2.57796121      0.940594316       3.61761069    
 H   -1.96591282       1.52330709       4.08167887    
 H   -2.25756788       4.72829789E-02   3.79261756    
 O    2.40243030      -3.09358835      -1.30694699    
 H    3.23421502      -2.70930052     -0.974428236    
 H    2.63990974      -3.76587319      -1.93996525    
 O  -0.436317831       2.28315496       4.99035168    
 H   0.190381497       1.54575062       4.92233801    
 H  -0.428110987       2.56510043       5.90236950    
 O    4.52273178      -1.80675316     -0.212993056    
 H    4.34774208      -1.87601924      0.735378683    
 H    4.45572472     -0.868893087     -0.432343721    
 O    3.67326403      0.903312385     -0.574122131    
 H    3.48840904      0.897083879      0.373602629    
 H    3.49349236       1.80855131     -0.864170432    
 O    1.45630872     -0.447025657      -1.63647187    
 H    2.26549482       3.33161615E-02  -1.41202581    
 H    1.66481173      -1.38734925      -1.57549858    
 O   -4.61064801E-02   3.99827647       2.71344781    
 H   0.889494956       3.95692611       2.46486664    
 H  -0.141985774       3.49804640       3.53088331    
 O    2.76488090       3.47122526      -1.11604214    
 H    1.84926140       3.32922649      -1.41625726    
 H    3.08794880       4.24084282      -1.57735002    
 O    1.21155345      -3.25078654       1.25901771    
 H    1.55485201      -3.36621666      0.365477651    
 H   0.387248099      -2.74831867       1.17370868    
 O   -3.53350139       1.53016412       1.14578426    
 H   -4.43114996       1.83951902       1.23625278    
 H   -3.22716951       1.30014336       2.04131770    
 O    3.38646221      -1.90994632       2.38580751    
 H    2.62027693      -2.37283349       2.01335573    
 H    3.36030245      -2.06141877       3.33760262    
 O   0.199874431       3.01740384      -1.85257876    
 H  -0.334119588       3.13074470      -1.05138326    
 H  -0.190823779       2.26432681      -2.30753183    
 O    2.75012064      0.759097695       2.15276384    
 H    1.89703524      0.750568688       1.68250263    
 H    3.04771781     -0.158267573       2.23911452    
 O  -0.879456103      0.499444634      -2.75064063    
 H   -1.01975262      0.211890325      -3.65026116    
 H   -4.11185883E-02  0.103239760      -2.46037936    
 O    1.26796722      0.141372189       4.51026630    
 H    1.78048372      0.466258675       3.75935984    
 H    1.76972401     -0.598380566       4.87584400    
 O   -1.16972852       2.89540195      0.516882598    
 H  -0.854130566       3.36863589       1.30330157    
 H   -2.04504442       2.53756237      0.703342974    
 O   0.692651212      -3.67203474       4.04262209    
 H   0.859672010      -3.76936817       3.09654927    
 H   -5.99184185E-02  -3.06892920       4.11237907    
 O    2.70143580      -2.22302532       5.12365437    
 H    1.99806249      -2.82565928       4.81864071    
 H    3.10231400      -2.62678933       5.88825464    
 O   -1.00156260      -1.60970938       1.15047777    
 H  -0.475497574     -0.795680165       1.13055778    
 H   -1.70502973      -1.45611238      0.505997717    
 O   0.458700329      0.662903428      0.757423699    
 H   -9.56234932E-02   1.44826710      0.655795455    
 H   0.714432538      0.347795635     -0.119402282    
 O   -1.07336569      -1.45658553       3.90397024    
 H   -1.14326715      -1.56465793       2.94217038    
 H  -0.303128749     -0.895913780       4.06699038    
 O    2.55340290       3.59127712       1.79141748    
 H    2.78131580       2.68711352       2.03789830    
 H    2.63436460       3.63108349      0.831061542    
 O   -2.71229935     -0.523890793     -0.694486201    
 H   -2.18865871     -0.111876912      -1.39104033    
 H   -3.05124164      0.192913994     -0.142385677    
          69
 Energy    -249.08363498512421     
  O     11.25466115     10.34194443    -10.21275846
  H     11.28770223      9.48858631    -10.66310357
  H     11.96566273     12.36098527    -14.57164702
  O     13.80468046      9.40300746    -17.48395912
  H     10.78863727     10.98070863    -10.77454094
  H     16.95450664      9.53937692    -11.42867644
  O     11.72725341      7.87143579    -11.50421223
  H     14.34998905      9.33785389    -18.26328043
  H     17.63476917      8.19710014    -11.07341047
  O     14.23054644      8.85433964    -14.75834669
  H     13.50750238     10.32890075    -17.42574134
  H     14.41839056      7.97962315    -13.11144736
  O     13.54501342     13.33329648     -7.69205815
  H     11.45976070      7.03135168    -11.13994091
  H     15.17961997      7.99837811    -11.76733655
  O     12.76457091     11.90983438    -17.26003690
  H     12.68723270      7.81270933    -11.66429447
  H     12.83271590     14.40146302    -11.62729532
  O     11.50801611      8.71461846    -14.19047833
  H     14.20786797      8.94847426    -15.71786446
  H     11.85979166     15.42505152    -12.25025089
  O     13.72202461     11.27081489    -11.07158894
  H     14.47063392      9.72147334    -14.39551663
  H     16.37618360     11.24713519    -12.78730311
  O     12.73388194     10.75952031     -7.87240146
  H     13.19151110     12.42519343     -7.71595602
  H     17.03205866     11.94403087    -11.58116273
  O     16.80383434     13.49442807    -10.44320292
  H     13.15759502     13.75781491     -6.93169668
  H     10.17733914     11.30541741    -15.40514786
  O     10.31405901     12.28264495    -11.89951369
  H     11.81450710     11.77464294    -17.36839544
  H     10.83206693     10.37428058    -14.35205924
  O     12.72463075     12.96168602    -14.62912820
  H     12.86724817     12.41513140    -16.44357979
  H     15.38476144     12.69283525     -7.78530518
  O     16.80414946      8.66304412    -11.03118783
  H     11.42917017      8.36546349    -13.29571469
  H     15.94247784     11.38076801     -8.36343209
  O     14.34776327      7.73777995    -12.17820991
  H     12.45635614      8.75883608    -14.38357795
  H     14.13146990     11.92779027    -14.05519472
  O     12.15948376     14.52124984    -12.31661996
  H     12.83925016     10.96716404    -10.82172617
  H     14.35742535     11.18964898    -12.71639036
  O     17.07355744     11.14890277    -12.12427966
  H     13.79025698     12.20116854    -10.82468930
  H     10.30783359     10.17206843    -17.24570593
  O     10.50567352     11.27438153    -14.49894396
  H     12.09451074     10.58593225     -8.57785682
  H      9.26846904     11.13483488    -17.87086529
  O     16.19394611     12.28091049     -8.11031587
  H     13.53257162     10.27244111     -8.11272990
  H     14.67542172     10.35901223     -9.82446486
  O     14.71062892     11.29381874    -13.61466829
  H     16.69147679     13.06260460     -9.57635680
  H     15.77337694      9.31954007     -9.57779581
  O     10.00775258     11.09892761    -17.27060586
  H     17.55732758     14.07443364    -10.36798106
  H     13.82633688     13.85859748     -9.43292463
  O     15.14914118      9.89179788     -9.11833344
  H     10.22847490     11.94382238    -12.80149354
  H     14.99032983     13.93348468    -10.47064534
  O     14.02966608     13.97809887    -10.37154084
  H     10.86619673     13.06861806    -11.97128012
  H     12.00696850      8.72889102    -17.25451840
  O     11.08484012      8.61765038    -16.99004613
  H     12.59818145     13.60873314    -13.92562328
  H     11.10353117      8.47155093    -16.03456105
          69
 Energy    -249.08357907336111     
  O     15.42233506     10.54056899    -14.88437659
  H     14.77572385     10.05828921    -15.39376933
  H     16.81866492     13.18154793    -16.52246468
  O     17.53406211     14.97853279    -16.51449237
  H     15.83671129     11.17753995    -15.49355147
  H     19.60644609      9.88025950    -10.14423394
  O     21.54738116      9.77211860    -15.76716576
  H     17.22006137     15.63797568    -17.12796024
  H     19.00132502     11.26885806     -9.85745847
  O     19.40862103     13.02863983    -10.39577484
  H     18.40637197     14.68763683    -16.83834103
  H     21.03705447     16.75000605    -12.49060296
  O     15.13938223     11.78497632    -12.38933247
  H     21.73822213     10.51868918    -15.17150729
  H     19.54351333     16.44116275    -12.73689361
  O     21.18605823      9.16630270    -11.01403810
  H     22.37575045      9.52517848    -16.17065862
  H     21.71122699     10.93629671    -11.10495636
  O     16.58736340      9.53197145    -11.20043824
  H     18.70310215     13.17338746    -11.04096168
  H     20.94721001     12.28047337    -10.99341799
  O     19.30059581     11.31562599    -16.63445365
  H     19.67449957     13.89425825    -10.06234292
  H     17.29643481      9.14152732    -12.75233084
  O     21.17094008     14.47532543    -14.67625348
  H     15.19155180     11.35057826    -13.25585367
  H     16.92157377      9.45143224    -14.21658950
  O     20.40156382     15.55928928     -9.71529228
  H     14.21523911     11.95631625    -12.22382140
  H     19.83518068     13.04681486    -17.13351264
  O     21.75818142     11.85996064    -14.01705700
  H     20.89790674      8.88383973    -11.89964620
  H     20.54475739     14.21841569    -16.42620337
  O     16.65830734     12.23298761    -16.58528699
  H     21.59392911      8.40733360    -10.60505451
  H     22.86354964     15.51824124    -12.30459991
  O     18.82275227     10.32176880     -9.79715577
  H     16.06530920     10.32000263    -11.38090067
  H     23.58215718     16.59584076    -13.15347455
  O     20.15816750     16.82947623    -12.09986363
  H     17.31709164      9.80291946    -10.62166063
  H     18.15458215     15.31614801    -14.76799160
  O     21.78691883     11.88446787    -11.27236582
  H     19.08085763     11.50192034    -15.70791144
  H     18.14321050     14.70064858    -13.34463568
  O     17.63759922      9.12506454    -13.66237524
  H     20.02123389     10.67822974    -16.59047579
  H     22.07710613     14.84606449    -10.35360792
  O     19.97531095     14.00235861    -17.17684735
  H     20.28746908     14.72866539    -14.37282327
  H     22.62576117     13.55267706    -10.98905900
  O     22.76813001     16.10642441    -13.07578253
  H     21.79653556     15.06149146    -14.23239144
  H     20.73489880      8.77215465    -14.32100431
  O     18.60126293     15.33644010    -13.91317004
  H     20.26188209     16.16037450     -8.98883027
  H     19.38224452      8.50266119    -13.61784074
  O     22.79744440     14.49847657    -10.89464181
  H     20.25183247     16.06489965    -10.53440867
  H     18.62146625     10.67384259    -13.71710745
  O     20.34113553      8.45360271    -13.50121566
  H     21.61486868     12.77580469    -14.29598146
  H     19.92268262     11.55395263    -13.78907658
  O     18.96217044     11.56423895    -13.88046396
  H     21.89923464     11.86725242    -13.06023774
  H     16.63397693     12.90747566    -12.31859830
  O     17.50810096     13.30147289    -12.41302411
  H     17.50744605     11.83861893    -16.82673196
  H     18.02242427     12.69053111    -12.96810872
          69
 Energy    -249.08251859621569     
  O     12.79605139     10.85883550    -15.19718571
  H     13.55497757     11.43761608    -15.06900019
  H     15.52349749      5.20920194    -14.00381958
  O     15.92778223      6.18447768    -12.59634680
  H     12.45275063     10.64667073    -14.32151341
  H     18.73117588      6.86053087    -15.05550677
  O     18.06139937     10.16066182    -11.77195955
  H     16.78750146      6.50932136    -12.29581946
  H     20.25702638      6.80703998    -14.80585214
  O     17.36260969     11.25970313    -16.29986548
  H     15.25778634      6.49493236    -11.97003141
  H     15.67954204      7.70916935    -13.64956120
  O     13.24161814      6.83699396    -14.99956850
  H     18.09896169     10.31166026    -10.82003339
  H     15.72089237      8.53309095    -14.98412742
  O     15.17881889      9.75195328     -8.44960747
  H     17.19156218     10.46405144    -12.07274219
  H     10.69139400     10.33488429    -12.57226940
  O     14.08211170      7.24929628    -10.85027503
  H     17.94466000     11.61550916    -16.96668874
  H     11.61883767      9.10369669    -12.67957681
  O     15.60206077     10.84201460    -12.76435249
  H     17.93068011     10.83513465    -15.63030687
  H     18.18146512      7.26690484    -10.03444819
  O     16.13578393      8.71774790    -16.77048818
  H     13.82778663      7.54355973    -14.68921976
  H     17.14239622      7.17768044     -8.88202359
  O     15.29404553      7.04778794     -8.32860216
  H     13.80323906      6.05761760    -15.08448783
  H     12.19397477      7.07131379    -13.48491665
  O     17.40731374      6.36923317    -16.04099980
  H     16.07214030     10.07069837     -8.62583717
  H     12.52123689      7.15187278    -11.97674528
  O     15.28249507      4.83505402    -14.87017137
  H     14.63939726      9.98531348     -9.21776234
  H     19.13309079      9.08128558    -14.54152679
  O     19.44773329      7.19868804    -14.48844780
  H     14.00757611      8.21362174    -10.88591703
  H     18.72849955     10.16539676    -13.52373856
  O     15.35422056      8.50370171    -14.09003305
  H     14.41358272      7.03682272     -9.96889536
  H     18.80474331      7.22016406    -12.74229034
  O     11.60657754     10.07742244    -12.65149842
  H     15.47004168     10.00569950    -13.24351446
  H     18.19794684      8.34044264    -11.86770088
  O     18.02601605      7.49326942     -9.10822383
  H     15.47423956     11.54864455    -13.40632574
  H     18.06417419      9.23435872     -8.94315341
  O     11.84956437      7.37388615    -12.63335053
  H     16.51703924      9.60150514    -16.76090121
  H     18.58500733     10.54824618     -8.31084122
  O     18.89005668     10.01144057    -14.46358920
  H     15.19338716      8.79543283    -16.99271060
  H     14.46143637     10.41944610    -11.46804553
  O     18.31266306      7.38041421    -11.92705426
  H     15.21887551      8.01883590     -8.27433403
  H     12.95259504     10.14763202    -11.35222439
  O     17.97889973     10.20537017     -8.96238048
  H     15.00682498      6.70065503     -7.48834032
  H     15.18919550     13.40283038    -15.22202125
  O     13.78664878     10.05847844    -10.87464700
  H     16.69713089      5.77895217    -15.76579828
  H     15.95272770     12.08738142    -15.49549507
  O     15.22640379     12.47931559    -14.98476690
  H     16.98492930      7.13941257    -16.44826572
  H     13.15262754      8.05221002    -16.54627125
  O     13.42872361      8.84989004    -17.01264578
  H     15.22122670      3.89017440    -14.75509874
  H     13.13765705      9.58719284    -16.45443515
          69
 Energy    -249.08135433401938     
  O     -3.00837830      4.71245172      2.87767702
  H     -2.90433464      4.22035204      2.04288400
  H      1.79297194      6.88236312     -2.77599335
  O      1.23852667     10.74563347      1.15700092
  H     -3.65824393      4.24495232      3.39518668
  H      2.03184809      2.41795222      2.68557375
  O     -0.49781836      8.81224452     -1.72457767
  H      0.51036804     11.03854566      0.59509568
  H      0.92891911      3.45942822      2.38301330
  O      0.07654247      9.96719861      3.48528556
  H      1.53433954      9.90535007      0.77977628
  H      0.11530705      5.58738176     -3.59273830
  O     -2.31194676     10.07034631      1.89446762
  H     -0.75514009      9.67288892     -1.37103315
  H     -1.30725613      4.93806384     -3.62763253
  O      1.52834948      8.16197864      0.07488896
  H     -1.21448103      8.19558458     -1.51827448
  H     -2.53757161      2.13450149     -2.10978495
  O     -2.31932265      6.85060838     -0.96495144
  H      0.41069765     10.41716189      4.25604786
  H     -3.25005812      3.47789680     -2.43969087
  O     -2.58943632      7.27204704      1.76511547
  H      0.56052453     10.32186727      2.71726677
  H      0.53097925      1.98170115     -2.40418938
  O     -0.43010598      4.90756606     -0.73175521
  H     -2.60443280      9.14997464      1.86602179
  H      0.76121176      3.32364691     -3.10379162
  O     -2.45345151      3.47686740      0.54827615
  H     -1.61303894     10.10078701      2.55996797
  H     -1.07133194      4.63487603      3.09831264
  O     -0.63637060      1.33015059      0.72775467
  H      0.83157413      8.36148406     -0.56726774
  H      0.07678549      5.62186136      2.82631038
  O      1.04802801      7.07675976     -3.35726851
  H      2.16793288      7.59625831     -0.37280719
  H     -2.97454339      5.90393732     -2.38880388
  O      1.49782665      2.77713962      1.98184490
  H     -1.59275514      6.21536018     -0.85425511
  H     -3.81913655      5.70449379     -3.66541283
  O     -0.36796141      4.74749477     -3.53010701
  H     -2.61119378      7.05899489     -0.06849207
  H      1.94076329      3.43906596     -1.17182915
  O     -3.31489902      2.67305389     -1.91269927
  H     -2.89450882      6.46906137      2.20369719
  H      2.09345841      3.52818494      0.39113389
  O      1.21054097      2.64359038     -2.58291085
  H     -1.63324075      7.30907918      1.92163444
  H      0.15873108      8.18849106      2.88002016
  O     -0.11460531      4.69022777      3.00158930
  H     -0.42741180      4.74641159     -1.68663098
  H      0.66636863      7.57894581      1.54769889
  O     -3.12534236      5.31010040     -3.14217139
  H      0.46172999      4.69660518     -0.43718621
  H      2.85037870      5.52648906     -1.05285186
  O      2.21151312      4.01208527     -0.43467205
  H     -1.70390984      3.97801038      0.19513313
  H      4.02389257      6.33642311     -1.64958877
  O      0.14691584      7.38747874      2.34151888
  H     -2.93935491      3.15835152     -0.22569723
  H     -0.82835172      1.00614082     -0.98686087
  O      3.10160733      6.39421950     -1.41322590
  H     -1.33358041      1.99424320      0.81616784
  H     -1.07398741      0.02261642     -2.15293140
  O     -0.97681132      0.94925121     -1.94761175
  H      0.14034144      1.71073376      1.15323336
  H     -1.63473461     11.96358013     -0.57161252
  O     -1.19189688     11.15330228     -0.33423039
  H      0.54662867      7.78270984     -2.92914696
  H     -1.66478343     10.78887713      0.43560430
          69
 Energy    -249.08133735905722     
  O     -2.20843018      2.91925869      3.00439988
  H     -1.55517218      3.59582471      2.76873130
  H     -2.02927630     -1.92904491      2.43223249
  O     -0.40300362     -0.45505652      4.86455537
  H     -1.96923091      2.14883572      2.46820304
  H      1.37696736      1.63937729      0.68506698
  O     -1.41479550     -2.92373825      1.07688050
  H     -1.11342927     -0.76817881      4.28464086
  H      1.57363839      0.69610021      1.92865606
  O     -0.63762856     -0.27973140     -2.40209663
  H     -0.69879912      0.39161292      5.22122612
  H     -4.27001153     -1.59211437      0.71348023
  O     -3.48197059     -0.58156711     -2.25103240
  H     -0.73935241     -2.44963633      0.56986397
  H     -3.04987834     -2.46271614      0.31432802
  O     -4.57039979      2.06345142      1.67567830
  H     -0.96062237     -3.61774993      1.57139258
  H      0.44725221     -2.15340473      4.90040529
  O     -3.01946513      1.70242578     -0.69199522
  H     -0.54870163      0.67548364     -2.32507204
  H      1.80542699     -2.67910519      4.39385955
  O     -0.80049061      2.67205003     -1.97487485
  H     -1.58808095     -0.44946445     -2.42905670
  H      0.07498871     -5.51520606      2.98441201
  O      0.60924051     -1.58759115     -0.30405106
  H     -4.07757961     -0.87060724     -2.93657335
  H      0.35610281     -4.06053482      3.43181218
  O     -1.48865945      0.78717838      1.38379053
  H     -3.63646007     -1.16058698     -1.48224713
  H      1.58991577     -3.85461326      1.64062270
  O     -4.90178682     -0.58939388      2.23161242
  H     -4.21705172      2.10136916      0.77741757
  H      1.78108733     -2.74119875      0.59252360
  O     -2.32200553     -1.26563521      3.07469744
  H     -3.92178747      2.51997679      2.22768554
  H     -1.67438965      2.44419351      4.64699925
  O      1.24690288      0.74411641      1.01912259
  H     -3.29028255      0.96776641     -1.25801774
  H     -1.73016669      2.59992180      6.18351653
  O     -3.85109234     -2.04390485     -0.02829513
  H     -2.49264749      1.32161281      0.03120147
  H      0.50537238      2.80726315      4.89223640
  O      0.92318214     -2.96037930      4.66722333
  H     -1.05208054      3.15405430     -2.75951439
  H      1.69688465      2.19378134      4.14813904
  O      0.13293603     -4.61887844      2.66522748
  H     -1.62667939      2.43626932     -1.51978379
  H      3.02427367     -2.45572145      2.60345592
  O      2.24856481     -3.26124182      1.25975395
  H      0.92635624     -0.80269928      0.16601138
  H      4.25268108     -2.32381067      3.53543180
  O     -1.26171062      2.15834739      5.47968224
  H      0.22139934     -1.25562222     -1.12534649
  H      1.14993000      0.07876721      4.06057970
  O      1.28410919      3.03748742      4.37188469
  H     -0.53128453      0.75742576      1.26325261
  H      2.55950972     -0.38261014      3.60451941
  O      3.34646278     -2.04848021      3.42766411
  H     -1.74257691      0.04433084      1.94415165
  H      0.53877063      4.01259697      3.00604291
  O      1.96869166      0.37998421      3.63952945
  H     -4.82789688      0.36371017      2.04991989
  H      0.38581305      4.11014044      1.47404647
  O     -0.01243411      4.39147529      2.30366032
  H     -5.77064880     -0.73122263      2.59836129
  H      0.50933468      3.12298412     -0.79740779
  O      1.18764485      3.30589323     -0.12813362
  H     -3.25915957     -1.09299264      2.91804619
  H      1.87503449      3.80752219     -0.56098984
          69
 Energy    -249.08117170987373     
  O     20.26696124      9.20895119    -13.84343540
  H     19.96734974      9.82848639    -13.17034570
  H     19.56218395      2.88743962    -14.74082962
  O     15.44031919      8.42763384    -10.37492655
  H     20.47438238      8.38752723    -13.37121845
  H     15.84946949      8.56799854    -14.55610979
  O     12.63252021      9.97736628    -13.97404342
  H     15.91314409      9.10367170    -10.87922636
  H     17.36473748      8.72795374    -14.94878096
  O     18.84381667      8.29560833    -15.93951066
  H     16.10327638      7.83236026    -10.00054550
  H     17.28935841      7.48040557    -13.15371622
  O     11.51809235      8.39049198    -11.82364266
  H     13.13830834     10.61909290    -13.46036568
  H     16.97482222      5.99243506    -12.86459627
  O     18.46130906      4.00393285     -9.83226958
  H     12.11460616      9.48035238    -13.32793951
  H     14.13026600      7.48428131    -13.86985929
  O     13.89420351      6.91378787    -12.15253892
  H     19.41490244      8.64524586    -15.23046648
  H     13.62567702      8.66152632    -14.71300624
  O     20.65610307      4.23480106    -11.75821685
  H     19.18953951      8.63299959    -16.76141927
  H     17.82413175      5.78321754     -9.66783761
  O     17.26172075      3.08273785    -12.08280811
  H     11.98263762      8.95500161    -11.17876443
  H     17.53840967      6.73900425    -10.83451915
  O     15.46221550      4.87709061    -13.19060996
  H     10.63617486      8.25549362    -11.48836803
  H     15.07625221     11.30567616    -12.14448922
  O     20.34913505      6.87765669    -12.39541711
  H     17.97567587      3.63301134    -10.59130570
  H     14.27824322     12.62366462    -12.25496986
  O     19.18258965      3.51417499    -14.12936372
  H     18.49386113      3.31899002     -9.16921004
  H     20.12171727      7.89557437    -10.84607316
  O     16.71697491      8.85689907    -14.24464544
  H     14.45943022      7.39514570    -11.53147123
  H     18.98551803      7.91932198     -9.82199841
  O     17.56062870      6.72021358    -12.62493210
  H     13.00030348      7.25963556    -12.03717027
  H     19.88638496     11.42898346    -11.16382391
  O     14.18794609      7.87497604    -14.75471473
  H     20.20991607      3.94135845    -12.56362646
  H     19.48382016      9.94935133    -10.96617736
  O     17.52629435      6.67904709     -9.86530777
  H     20.01080973      4.14507942    -11.04654458
  H     14.81981927      6.45819748    -15.64682530
  O     14.18047652     11.67535211    -12.21693914
  H     16.50661434      3.59102051    -12.40820332
  H     14.70772460      5.27429404    -16.63276316
  O     19.72047649      8.44579699    -10.15854135
  H     17.91167867      3.10977572    -12.79681966
  H     18.44265583      6.41247346    -15.77591458
  O     19.33650900     10.73713062    -11.52178963
  H     14.82843629      5.46284897    -12.75282969
  H     17.17259255      5.54439041    -15.86012537
  O     15.24563884      5.63195109    -15.93029663
  H     15.33920939      4.97873700    -14.14154226
  H     13.85960153      9.40295387    -10.06583862
  O     18.12294802      5.50570293    -15.70177647
  H     19.39652415      6.78211547    -12.54264316
  H     13.36584879     10.65284186    -10.81132178
  O     13.07086620      9.93737912    -10.23375693
  H     20.66440566      5.99457370    -12.16301945
  H     16.65353033      9.92114308    -12.85387091
  O     16.61756958     10.41399977    -12.01934654
  H     18.83649168      4.24466551    -14.66911510
  H     17.52993300     10.63120884    -11.79095961
          69
 Energy    -249.08058133837034     
  O     18.44861847      6.18169346    -10.06827034
  H     18.29024378      7.01689498     -9.61388422
  H     16.04881245      6.09044858    -15.07902895
  O     17.23426811      8.86585412    -15.90217812
  H     17.63241243      5.67156005     -9.96629034
  H     11.50854421      5.45080463    -11.58259232
  O     13.10008320      7.90316383    -12.16674270
  H     17.78299069      9.20642731    -16.60345736
  H     10.63646739      6.23937088    -10.57861251
  O     11.45869401      4.71122766    -13.12091372
  H     17.82174065      8.69998939    -15.14232807
  H     16.28452702      7.92494554    -11.77663254
  O     15.09773671     10.25270445    -14.62102700
  H     12.54336102      7.26703059    -11.70632272
  H     15.81337930      6.54573542    -11.19226861
  O     17.36460057      9.39871571    -11.53791760
  H     14.02192719      7.61180731    -12.06686197
  H     20.26536438      5.43141889    -12.53512612
  O     18.78038398      8.44760158    -13.72877422
  H     12.07349252      4.00557012    -13.35788994
  H     19.13129472      6.02040019    -11.66630990
  O     13.35864254      2.84351309    -14.06599982
  H     11.32949585      5.23133623    -13.92322714
  H     14.31411898     10.60240748    -10.98288689
  O     17.63767711      8.66198955     -8.86045777
  H     14.36436044      9.64374147    -14.76692613
  H     13.39934943      9.37394527    -11.06101891
  O     11.35141845      6.23838681    -15.54494892
  H     15.85290733      9.86607907    -15.08156022
  H     14.45252065      7.55021598     -8.61038838
  O     13.61901792      4.58128459    -16.14210096
  H     16.78240813     10.15807640    -11.67011703
  H     14.52479163      8.98585939     -9.18859163
  O     15.55521731      6.60322247    -15.73659327
  H     17.52044643      9.28709119    -10.59141310
  H     13.18703313      8.01515145    -13.92941262
  O     11.53568718      5.97855838    -10.76345445
  H     19.11531955      7.60062323    -13.41308119
  H     14.07389160      7.52976369    -15.12851473
  O     15.70379372      7.16787817    -11.92490794
  H     18.36537622      8.86421417    -12.96010842
  H     15.60734677     12.34998216    -12.33313244
  O     19.44760032      5.91885089    -12.58226287
  H     13.52342385      3.41327132    -14.83839329
  H     15.34864001     11.02475634    -13.08694986
  O     13.75745287     10.02733495    -10.44515435
  H     13.22746650      1.96056663    -14.40188238
  H     13.10449899      5.44084462     -8.01493923
  O     14.97824933      8.35532955     -8.60806602
  H     17.98187445      9.06077808     -8.06628009
  H     12.80706968      5.85962918     -9.46995729
  O     13.29077565      8.04919261    -14.89359981
  H     16.68225314      8.52869506     -8.71659188
  H     17.83132445      5.45811174    -13.42085394
  O     15.53716162     11.40718174    -12.21066021
  H     11.97114117      6.96532796    -15.36115936
  H     16.44587383      6.06243812    -13.11727444
  O     13.49358728      5.84970939     -8.78506658
  H     10.66741245      6.59547060    -16.10514860
  H     15.09149626      5.23671725     -9.55515149
  O     16.90079784      5.40469637    -13.66833469
  H     14.33396915      5.23118854    -16.14559401
  H     15.69242506      4.42232863    -10.74834935
  O     15.89364050      5.08317352    -10.06593303
  H     12.80009888      5.08945427    -16.09153453
  H     16.00653262      4.01566642    -12.81296991
  O     15.44384318      3.48592371    -12.23089134
  H     16.11850820      7.35643878    -15.95240613
  H     14.70376968      3.20446972    -12.77965161
          69
 Ord_Energy   -249.080475    
 O   -3.17505431      0.353773415       2.77236652    
 H   -2.66779709      0.850639820       3.43223190    
 H   -2.85892034     -0.553264737       2.84504175    
 O    3.12066936      -2.67519736      -1.47017670    
 H    3.84048748      -2.38192821     -0.882274508    
 H    3.52253199      -3.18226600      -2.17042637    
 O   -1.42913270       1.54163218       4.53920126    
 H  -0.757309854      0.854879797       4.63380718    
 H  -0.973513246       2.33253384       4.22801018    
 O    4.89187002      -1.67999136      0.330187410    
 H    4.48371649      -1.91484225       1.17463577    
 H    4.87381268     -0.715959966      0.280812860    
 O    4.14451647       1.08446324      0.304904670    
 H    3.71696782      0.898832202       1.15078020    
 H    4.01158476       2.02985144      0.152081057    
 O    2.22324514       2.42892299E-02  -1.45956647    
 H    2.96706533      0.418640971     -0.983937919    
 H    2.43198276     -0.911236703      -1.56489408    
 O  -0.192887992       3.85918260       3.39804316    
 H  -0.250494421       4.69392490       3.85571218    
 H   0.750237167       3.70530224       3.21064448    
 O    3.32494783       3.74516463       7.48681799E-02
 H    2.48222327       3.71130896     -0.413999617    
 H    3.78095722       4.52926922     -0.218906641    
 O    1.32213664      -3.23029852      0.629610538    
 H    1.88546133      -3.19023800     -0.152817741    
 H   0.538025916      -2.69846964      0.432227850    
 O   -3.37675381       1.65263724      0.455896437    
 H   -4.21476460       2.10762119      0.451257497    
 H   -3.33373237       1.15208280       1.29294717    
 O    3.13972878      -2.21107244       2.50165701    
 H    2.49383521      -2.56133866       1.86952651    
 H    2.88122249      -2.54578519       3.36866570    
 O   0.937749743       3.61127830      -1.16244769    
 H   0.240138724       3.60025954     -0.494098485    
 H   0.672840834       2.94528294      -1.81185627    
 O    2.54588652      0.471848309       2.61726379    
 H    1.82905829      0.557249486       1.96380186    
 H    2.82780361     -0.454388618       2.62038732    
 O    9.48754102E-02   1.41047144      -2.65584779    
 H  -0.684326887      0.949759960      -2.32663894    
 H   0.854007721      0.856159210      -2.42799687    
 O   0.487964809     -0.583623409       4.34953594    
 H    1.17032850     -0.124325640       3.84662771    
 H   0.911689460      -1.37854612       4.69757318    
 O  -0.924066067       3.02326298      0.826976776    
 H  -0.807807207       3.35133672       1.72818422    
 H   -1.81203771       2.65686059      0.743638337    
 O   0.171381846      -4.21803522       3.06240392    
 H   0.567450464      -4.12051392       2.18744755    
 H  -0.584117532      -3.61373281       3.07151532    
 O    1.82575333      -3.05047083       4.85959911    
 H    1.22948313      -3.56568027       4.28549385    
 H    2.00087571      -3.58440280       5.62937880    
 O  -0.849648476      -1.52068210      0.278896123    
 H  -0.333596349     -0.743744195      0.548045576    
 H   -1.41439319      -1.20524549     -0.434336722    
 O   0.633647203      0.707775772      0.738400638    
 H   0.138086781       1.53576398      0.709207594    
 H    1.09801781      0.586848199     -0.101954132    
 O   -1.57320929      -2.00123739       2.92529821    
 H   -1.40536344      -1.87866747       1.97911727    
 H  -0.916146278      -1.46813405       3.39464164    
 O    2.37195373       3.29381466       2.74679971    
 H    2.55068207       2.35312104       2.86975884    
 H    2.71867037       3.52323651       1.87576365    
 O   -2.29336309       5.71295284E-02  -1.57259786    
 H   -2.69559908      0.628975451     -0.899585605    
 H   -2.97332358     -0.123972543      -2.21809745    
          69
 Energy    -249.08016476878151     
  O     12.47751576      9.31070787    -11.32186708
  H     12.60257005      8.73899715    -12.08905517
  H     13.22330819     13.32666925     -8.50387818
  O     12.88655333      7.61193483    -13.49695151
  H     11.76265937      9.93036099    -11.51493469
  H     10.02737850     11.28411306     -8.92946493
  O     10.47942622     11.16143898    -11.78529293
  H     12.64591918      6.76992507    -13.08922241
  H     11.14586574     12.32419898     -8.67766213
  O     14.86185313     10.32211923    -10.43937931
  H     12.18672199      7.88282449    -14.10523843
  H     12.25979301      8.50516146     -9.75032611
  O     16.37760691      8.03909347    -11.06276021
  H     10.93142018     11.84561582    -12.29430649
  H     12.78487118      8.74947921     -8.31419023
  O      8.44588559      7.82497109    -10.62734589
  H     10.37344310     11.50243679    -10.88699770
  H     14.31031571     10.23598797     -8.65300574
  O     11.95001490     13.16920929    -13.01866532
  H     14.01315857      9.98184533    -10.76813631
  H     13.42937636     11.02794492     -7.68515504
  O     13.89841909     14.27952300     -9.92496614
  H     15.51433915      9.63360647    -10.61465698
  H     13.74127974      6.04557858    -10.79572171
  O     10.64112190      6.15582131    -10.06119502
  H     17.19889500      7.67154676    -10.74816323
  H     13.69987205      6.98598202     -9.57769567
  O     11.09880840     14.49330521    -10.74054173
  H     15.66773940      7.45402854    -10.74179123
  H     14.69789642     11.80654762    -11.39260884
  O     15.42054248      8.76129055    -13.64953105
  H      7.50828040      7.65201291    -10.64065585
  H     14.83820331     12.27109216    -12.85369834
  O     12.75885217     12.82740591     -7.81477274
  H      8.67011365      8.21820315    -11.48967945
  H     10.70609355      8.71086435    -16.03692430
  O     10.35051564     12.15905627     -9.19766747
  H     11.55266898     13.76751612    -12.36915271
  H     11.44186622      9.68927189    -15.09353127
  O     12.26898426      8.13135411     -8.85284480
  H     12.83149639     12.95933417    -12.68133056
  H      9.67078140      8.88174522    -13.71957609
  O     13.80802898     10.15372679     -7.83019880
  H     14.47731984     15.03837680     -9.93204901
  H      9.50155046      9.86454115    -12.55197367
  O     14.30126798      6.53337397    -10.18046135
  H     14.17273699     13.71919705    -10.66971964
  H     10.54855575      9.05194840     -8.57870001
  O     14.54032447     12.56055326    -11.98193263
  H     11.15036182      6.71620546     -9.46197498
  H      9.20471606      9.00580449     -9.32067802
  O     10.98093367      8.83131723    -15.13179460
  H      9.83548517      6.64847713    -10.26464189
  H     12.05909952     11.93702480    -14.45172532
  O      9.14665617      9.04506794    -12.92905249
  H     11.99718876     14.56256902    -10.39689689
  H     13.31061874     11.17023808    -14.88716600
  O      9.72538180      9.53668201     -8.70555472
  H     10.66693961     13.81627079    -10.20365509
  H     15.30072425     10.40112766    -14.14967294
  O     12.34925151     11.17223540    -14.96478205
  H     14.57076765      8.29945647    -13.67654702
  H     15.80079681     11.50098252    -15.11700352
  O     15.16715338     11.32641037    -14.42624888
  H     15.84636242      8.48696164    -12.82926774
  H     11.68279861      5.58408099    -11.30828605
  O     12.36483120      5.33880876    -11.96013915
  H     12.69558429     13.40260481     -7.05475539
  H     12.28100948      4.40060637    -12.10660088
          69
 Energy    -249.07997194553531     
  O     15.24612983     11.35682141    -15.76902624
  H     15.55092438     11.14676271    -16.65805799
  H     19.59604359      6.30784155    -16.97912187
  O     13.54250591      5.51800761    -15.44627126
  H     16.03509160     11.57789476    -15.25968215
  H     17.68707980      9.70451333    -17.86330381
  O     18.59707578      7.65908416    -12.11657957
  H     13.75591025      5.68609608    -14.52048642
  H     18.63463109      8.46369536    -17.96898880
  O     18.89108375      6.79444029    -18.71126201
  H     13.06424423      6.29427135    -15.76164763
  H     16.63083409      8.34863868    -14.79370997
  O     16.30781488      5.97410630    -18.73625914
  H     17.94388244      8.28026981    -12.47527948
  H     17.38120337      8.30035775    -16.15434376
  O     14.96141861      8.61058087     -9.61620919
  H     19.34856256      7.67360987    -12.71934346
  H     13.45791089      9.53146216    -13.80136985
  O     14.21197331      5.97637598    -12.71730143
  H     17.97870673      6.45455033    -18.74341357
  H     13.90473494     10.36071705    -15.04313335
  O     16.66495230      9.24409403    -13.22202259
  H     19.30910238      6.53514047    -19.52789930
  H     12.61427981      8.59247864    -15.76213948
  O     17.25586588      5.17127280    -15.27623810
  H     15.98362362      5.22848583    -18.21663834
  H     11.42824343      8.07580798    -16.61478361
  O     19.57784961     10.26205111    -15.13856554
  H     15.72848607      6.71285812    -18.50676556
  H     20.33294427      7.18724410    -14.81330387
  O     15.26663218      4.05335015    -16.91815789
  H     14.96595829      8.98149708     -8.73792960
  H     21.53878367      7.64292612    -13.96320408
  O     19.76822614      6.09848156    -16.05456974
  H     15.71821439      8.00331926     -9.65446686
  H     17.50405274      6.17404095    -12.39570918
  O     18.40831112      9.23143691    -17.42805728
  H     13.77126690      5.42199293    -12.07690530
  H     17.04659402      5.17397010    -13.46886495
  O     16.70024777      7.86359691    -15.62634422
  H     15.16371242      5.79115042    -12.63981316
  H     16.85957073      6.05294943    -10.37343974
  O     13.22059408      9.76397327    -14.70681997
  H     15.77499603      9.18657367    -12.85063183
  H     17.76429614      7.26676485    -10.47439916
  O     12.33892147      7.90238606    -16.39601586
  H     16.86849343     10.16541500    -13.42327462
  H     15.53078199      9.60201878    -18.22533239
  O     20.60820622      7.79697382    -14.10599726
  H     17.02305491      6.10571843    -15.40210632
  H     15.70874273     10.78984819    -19.20303729
  O     16.88215283      5.45113998    -12.55637161
  H     16.65459046      4.66135800    -15.83048382
  H     14.32427115      8.80941567    -11.28172267
  O     17.09170039      6.86061187     -9.90778018
  H     19.27582184      9.96836375    -16.01009043
  H     14.08715666      7.81321041    -12.44064236
  O     16.05152541     10.40567011    -18.40039665
  H     19.97589352      9.48764318    -14.72476289
  H     18.32886374     11.25882742    -14.48119468
  O     14.13580676      8.75556417    -12.23030337
  H     14.90971529      3.17739746    -17.03445844
  H     17.87369516     12.52291142    -13.71000668
  O     17.55166285     11.72898748    -14.12732775
  H     14.60399493      4.56305144    -16.41600662
  H     13.91044547      8.02963297    -17.34183929
  O     14.82366599      8.09581367    -17.64426243
  H     18.98136890      5.62613625    -15.74853488
  H     15.38655272      7.98283334    -16.86136863
          69
 Energy    -249.07948553699185     
  O     12.04305151      9.70787820    -15.71727443
  H     12.58078045     10.50343735    -15.79107973
  H     15.17206857      5.05808135    -14.96287293
  O     16.18824680      6.88365017    -12.57880006
  H     12.58647362      8.98582505    -16.06516297
  H     16.70819326     10.63980950    -16.67440748
  O     16.28343552     11.43511035    -11.04152269
  H     16.95901352      7.40742546    -12.32393306
  H     15.25312496     11.11205986    -16.86248251
  O     17.72170483     10.10757060    -15.18912344
  H     15.46305034      7.07760567    -11.96860735
  H     15.66726649      8.06732404    -13.83204826
  O     13.30149996      5.18688930    -15.29402297
  H     17.01520495     11.64084329    -11.63656124
  H     14.84031118      8.41256727    -15.10788805
  O     14.00608360     10.74003918     -9.40249106
  H     16.62222314     10.71609016    -10.48443155
  H     11.20203359      9.12722181    -14.32802934
  O     13.96822126      7.51131748    -11.04218624
  H     18.42040657      9.44092277    -15.18746181
  H      9.84865787      8.81601790    -13.64341366
  O     14.56457511     11.05556549    -13.19910134
  H     16.90578170      9.63581822    -14.95565760
  H     16.64501459      8.78615266     -9.25848997
  O     17.71005245      6.70549187    -16.39762535
  H     12.94230875      5.57083463    -14.47317440
  H     17.77948897      8.78084588    -10.32695564
  O     14.90972111      8.31487108     -8.53158589
  H     12.77489687      4.41748547    -15.49198636
  H     11.75299355      7.14741836    -13.22945808
  O     19.46555287      7.93053908    -14.80403255
  H     14.72389229     11.18794783     -9.86673818
  H     12.88043762      6.61407084    -12.31902594
  O     16.11343967      5.16334125    -14.78525929
  H     13.34914220     10.52810225    -10.07992737
  H     19.21851783     11.86959449    -12.97215233
  O     15.98555777     10.67820061    -17.31585818
  H     13.51239116      8.33407117    -11.27025479
  H     18.15287513     11.05141734    -13.73764579
  O     15.41235251      8.78475536    -14.42632564
  H     14.25333576      7.61045776    -10.12559054
  H     18.86939578      8.18557509    -13.01517753
  O     10.79266142      8.76384360    -13.52169977
  H     14.85419459     10.21657063    -13.59338687
  H     18.43156142      9.46305501    -12.28889660
  O     17.35052920      9.31523929     -9.64988974
  H     15.14469925     11.23897562    -12.44844059
  H     16.01276932      8.06266455    -19.14476000
  O     12.33492125      6.39148720    -13.08317903
  H     17.13885556      7.14565014    -17.03455973
  H     15.93707785      9.04368815    -17.95096802
  O     18.41796536     11.36359748    -12.85664579
  H     17.15230407      6.09493939    -15.89052517
  H     11.85481179      9.54888941    -12.22206048
  O     18.44652078      8.50171461    -12.20539890
  H     14.73094402      8.15454119     -7.60906498
  H     13.18064462     10.35132017    -12.25730547
  O     15.91360780      8.10166611    -18.19713255
  H     14.56993972      9.20587258     -8.73421995
  H     13.67328187     12.83093737    -15.77072455
  O     12.57686759      9.87318773    -11.67061459
  H     18.85715465      7.42939590    -15.38004169
  H     14.13897331     11.72451934    -14.79849874
  O     13.90327797     11.90583860    -15.72408588
  H     20.34824182      7.66654723    -15.04769070
  H     13.63519002      6.77434686    -16.16113944
  O     13.79358877      7.68713750    -16.43469027
  H     16.17249728      5.62765103    -13.93863360
  H     14.46262874      7.69343844    -17.13099591
          69
 Energy    -249.07919840682368     
  O      9.80204401     13.01862576    -11.93246559
  H      8.92524377     13.37690885    -12.05282290
  H     15.13369061     10.12050961    -11.57054084
  O     11.37245370      9.03119233    -11.55450982
  H     10.03441588     12.57554696    -12.76559848
  H     14.45456383      7.35698180    -12.95251033
  O     14.04114169      7.91802327    -14.70624817
  H     10.80750075      9.59296211    -11.00127722
  H     15.28319247      8.01676348    -11.84297979
  O     13.25846420     12.73133034     -9.56545673
  H     11.76230517      8.34616946    -10.99912184
  H     13.36710941     14.82572905    -12.41700372
  O     11.51451551      9.11861826    -14.28028048
  H     14.17588734      7.42536296    -15.51283477
  H     14.11891554     15.72316596    -13.43085945
  O     13.55543687      9.28691513     -8.24310809
  H     14.42551317      8.79940925    -14.85187788
  H     13.55439455      7.14329878    -10.75454279
  O     13.51649907     10.85395091    -11.61151754
  H     12.73119955     12.33249918     -8.86367461
  H     12.69003882      6.28848530     -9.79519001
  O     11.71501356     11.20991083     -7.79837285
  H     13.35749290     12.05446984    -10.25282254
  H     16.92515889     11.94596298    -13.19030506
  O     16.35503871     13.26014784    -12.27464865
  H     12.33192584      8.62302323    -14.41780165
  H     18.13772613     11.27315644    -13.87836265
  O     10.01561913     10.83724095    -10.06194581
  H     11.33439180      9.02701378    -13.33169905
  H     10.80279650     10.83622404    -14.25111573
  O     13.31931999     12.31233459    -13.96748264
  H     14.47903153      9.52017752     -8.39630371
  H     10.47828448     12.03892887    -15.18585426
  O     16.00195923      9.68464587    -11.56509956
  H     13.35451564      8.54161359     -8.82178749
  H     16.22624991     11.90118389     -9.21093326
  O     14.71451505      7.25679689    -12.02894285
  H     12.78489639     10.22401510    -11.60441176
  H     15.09762616     12.90796627     -9.44566499
  O     14.07574019     14.83563861    -13.08647190
  H     13.45332856     11.37611886    -12.42254662
  H     14.34736638     11.13605031    -14.79242553
  O     12.87922210      7.18663052    -10.05324850
  H     11.50978469     11.25214231     -6.86866910
  H     15.80645694     10.65118369    -14.79583458
  O     17.22110168     11.13919781    -13.65470603
  H     12.35952476     10.48701038     -7.91265074
  H     10.24664695     12.30793219    -17.79151840
  O     10.58120745     11.77775977    -14.25840174
  H     16.31066518     13.13380652    -11.31506975
  H     11.37570534     11.58839494    -17.03328563
  O     16.05062175     12.78275078     -9.55653318
  H     15.64440658     13.86462991    -12.51131416
  H     16.27088445      9.81684724     -9.82157855
  O     14.93894667     10.46959339    -15.17659366
  H     10.51453520     11.04477412     -9.26206155
  H     17.05107785      9.53771880     -8.51648664
  O     10.68916306     12.27152247    -16.94780165
  H      9.95318528     11.64674106    -10.58299910
  H     12.50950010     14.02958917    -10.58051679
  O     16.26966903      9.96394000     -8.86023910
  H     13.55995516     13.22589121    -13.76812228
  H     11.28297192     14.12504281    -11.50579411
  O     12.10756810     14.56921990    -11.27714164
  H     12.36756118     12.26701375    -14.12019220
  H     13.42420047     10.34964702    -16.48186468
  O     12.51724024     10.21332238    -16.77855056
  H     16.52430348     10.09839631    -12.26115763
  H     12.07143460      9.78086577    -16.03831911
          69
 Energy    -249.07898694776011     
  O     19.17976943     11.49569053    -19.49534939
  H     19.75284364     12.25965668    -19.30324977
  H     20.29191507     17.71230252    -16.66606652
  O     17.14269231     17.35771166    -13.06416747
  H     19.50230057     11.10549162    -20.30302763
  H     16.10198367     11.30290532    -13.06289991
  O     22.11066400     13.93692618    -16.34041526
  H     16.89028829     18.14035875    -12.58179066
  H     16.43305974     12.71756978    -12.49646821
  O     16.47224228     14.58713716    -12.83049557
  H     17.07394467     17.57731997    -14.01187059
  H     21.66572388     15.82556648    -16.00757379
  O     16.02021073     11.77094655    -16.55256489
  H     22.99638913     13.64198644    -16.13987745
  H     20.93688017     16.62909553    -14.90932260
  O     19.27955637     11.18712071    -12.70741628
  H     21.50764277     13.33120354    -15.88009072
  H     18.58941372      9.74561929    -13.96529998
  O     15.46971138     10.05061379    -14.38081449
  H     16.19705059     14.45390910    -13.74983107
  H     18.33580501      9.62194308    -15.47572493
  O     20.69623083     13.63446148    -18.83462309
  H     16.60629166     15.53947449    -12.74888569
  H     14.29000031     16.79608528    -17.44569099
  O     18.94348991     15.69824029    -18.24694885
  H     15.67710197     11.17864259    -15.87349699
  H     15.53528620     16.03718657    -17.96655924
  O     20.18068109     12.29829888    -15.19160588
  H     15.93252733     12.67153216    -16.20820485
  H     18.91971212     16.78673665    -13.37659185
  O     16.43800765     12.46205620    -19.29482098
  H     19.58725104     10.74111221    -11.92159708
  H     19.71116031     15.50846499    -13.02394778
  O     19.59310938     18.18781096    -17.15121646
  H     18.33129565     11.38327414    -12.57839993
  H     16.46716844     17.45632155    -16.27798503
  O     16.67466332     11.78375837    -12.45358542
  H     14.85370427      9.33319421    -14.25734187
  H     17.91683398     18.01970110    -16.22674488
  O     21.39892806     16.71669071    -15.75652355
  H     16.35621092      9.65356489    -14.45099951
  H     19.36586596     13.13909555    -12.21083482
  O     18.07848882      9.25538842    -14.61695911
  H     21.28924000     13.71569290    -18.08010519
  H     18.25582599     14.19685651    -12.29722916
  O     15.14064188     16.45888299    -17.18000026
  H     20.11324836     14.40575635    -18.78626965
  H     18.84990427     10.91885284    -17.79827244
  O     19.70210854     16.27592735    -13.61632470
  H     19.17687434     16.61673585    -18.06930664
  H     17.71101830     11.18260120    -16.77505097
  O     17.11853423     17.87906185    -15.70467133
  H     18.83744108     15.28349505    -17.37732705
  H     19.00201331     15.26136871    -15.03331681
  O     19.19703120     14.07778088    -12.10303808
  H     19.69992835     11.75117013    -15.83212101
  H     19.15818089     13.79683803    -15.50933689
  O     18.60317036     10.81599087    -16.87081036
  H     19.97794655     11.94817974    -14.31749647
  H     17.29338254     15.42716163    -19.01510354
  O     18.68878315     14.62118679    -15.68514445
  H     17.33094974     12.12897116    -19.44026715
  H     16.31080057     14.27780986    -19.32591784
  O     16.36629073     15.23701310    -19.21215706
  H     16.17261821     12.14493070    -18.42237687
  H     16.93805871     14.46048511    -15.62976046
  O     15.97809957     14.34015620    -15.54502994
  H     19.98294217     18.99603951    -17.47302475
  H     15.56445318     15.04182010    -16.06203982
          69
 Energy    -249.07859022047640     
  O     12.61209965      9.95560613    -16.27715731
  H     11.79886972     10.35413907    -16.57470731
  H     15.25069981      3.24654199    -13.98201481
  O     16.25896170      6.24506819    -12.38979100
  H     12.64524886     10.07692226    -15.31060837
  H     19.69006887      5.62131924    -12.80478796
  O     19.04229227     10.80848739    -14.85999883
  H     17.22278930      6.20298803    -12.43817868
  H     18.90815152      6.55667564    -13.75729184
  O     19.43834491      9.09258910    -16.88534344
  H     15.91306988      5.46897934    -12.85036738
  H     17.72145996      8.93017997    -17.76928385
  O     12.99831329      5.94670235    -13.92490455
  H     19.38934526     10.94235596    -13.97129400
  H     16.28899343      9.52539328    -17.84090982
  O     17.29354382     11.62790220    -10.75769921
  H     18.08056524     10.88119719    -14.77399677
  H     15.17110583      7.77382207    -15.13856811
  O     14.94125488      8.22663421    -11.02625774
  H     19.34218640      9.74567289    -16.16706646
  H     15.92303439      7.44133895    -13.81305086
  O     16.29884281     10.70816602    -14.55224607
  H     20.18507881      9.36881476    -17.40876979
  H     12.50953116      9.35746072    -13.06667206
  O     16.61436672      4.96940628    -16.23993357
  H     13.66999120      5.25664653    -13.91610539
  H     13.43756369     10.58439739    -13.10281068
  O     17.07936332      9.02527892     -9.48847196
  H     13.12504007      6.41908769    -14.76102346
  H     19.25533112      7.82555506    -11.70592728
  O     18.40760790      6.98921523    -15.39021274
  H     17.29101466     10.83165306    -10.21240555
  H     18.60097486      8.63880640    -10.55635253
  O     15.27053106      4.19912449    -14.01308976
  H     18.10859291     11.58628576    -11.27237963
  H     12.56749898      7.07142616    -12.68450217
  O     19.02687502      6.30676738    -12.82459358
  H     14.00717468      8.08934198    -11.22757112
  H     11.52863337      7.51932120    -11.62835339
  O     16.83823584      8.77567687    -18.11779296
  H     15.41476110      7.49265785    -11.44610801
  H     19.69774310     10.18872282    -11.80340997
  O     15.95480584      7.97885623    -14.61276153
  H     16.20833068      9.74475964    -14.61032502
  H     20.59324879     11.44852781    -11.76399223
  O     12.72020008     10.14668770    -13.57907329
  H     15.86891567     10.94877117    -13.72377037
  H     15.21048426      6.34351933    -19.16699081
  O     19.36070871      8.60664855    -11.15141128
  H     17.36081026      5.54101348    -16.01856074
  H     15.93236860      7.34642388    -18.23407007
  O     12.36512794      7.75523337    -12.02042887
  H     16.16543529      5.40662958    -16.97426074
  H     14.99443900      9.98305390    -11.77849265
  O     19.78629645     11.10021691    -12.13473402
  H     16.93051695      8.86870655     -8.55909497
  H     15.72897252     11.32828467    -11.62268566
  O     15.36356196      6.55307062    -18.25010068
  H     16.27026832      8.74858319     -9.94897047
  H     14.30438123     10.58198277    -16.94697776
  O     14.99832159     10.89746871    -12.09005995
  H     18.88350413      7.62189077    -15.94196952
  H     15.62423708     10.93524776    -16.25511629
  O     15.23021175     10.78074969    -17.12535850
  H     17.54382355      7.38960765    -15.20093760
  H     14.15616327      7.11173162    -16.97006689
  O     13.69463851      7.39069588    -16.16916442
  H     15.72970782      4.44278440    -14.83710613
  H     13.29034901      8.25435577    -16.32636065
          69
 Ord_Energy   -249.078583    
 O  -0.516055286       8.86446857       4.81210613    
 H   0.169652358       8.89661598       4.13546944    
 H   -1.25517130       9.35870171       4.42885685    
 O   -5.31233597       9.63633156       3.78406715    
 H   -5.60649347       10.5053387       3.48878002    
 H   -4.34847307       9.64410210       3.66640496    
 O   -2.31026173       7.09750414       2.19846249    
 H   -2.23912930       6.89627409       3.14346433    
 H   -1.43435252       7.00488710       1.79722941    
 O   -5.69801521       12.1039343       2.40539622    
 H   -6.25300455       12.8737841       2.49652672    
 H   -5.99293137       11.6388044       1.60105515    
 O   -5.91668272       5.75134993       3.23253465    
 H   -6.22353268       6.44209051       2.63197184    
 H   -5.61769438       6.20963478       4.02600336    
 O   -3.98564243       7.54468203       6.01935908E-02
 H   -3.71937680       6.89120531     -0.598353684    
 H   -3.40022111       7.41936827      0.820367694    
 O   -2.65319085       9.70209122       3.24552917    
 H   -2.47452974       8.88584328       2.76171279    
 H   -2.68991137       10.4237928       2.60327244    
 O   -3.66977167       4.53951073       2.21669626    
 H   -3.20093298       5.37875795       2.12299919    
 H   -4.54390574       4.78300476       2.55173683    
 O   -3.66956258       10.1699009     -0.785093963    
 H   -2.82772470       10.2236719      -1.25421953    
 H   -3.77524519       9.24265480     -0.525762141    
 O  -0.656938791       7.48644257      -1.47463131    
 H   -1.36650479       6.85755634      -1.65037751    
 H  -0.279248655       7.23802948     -0.620121598    
 O   -3.01294851       11.7299652       1.42561698    
 H   -3.25794363       11.2323208      0.630125165    
 H   -3.83935690       12.0500650       1.80595434    
 O   -6.28019905       8.08022308       1.57404244    
 H   -5.52533770       7.83488989       1.01865637    
 H   -5.93546724       8.59090328       2.31971669    
 O   -2.15621829       6.66400766       4.92807007    
 H   -3.03903747       6.93805647       5.20377302    
 H   -1.54104292       7.40110636       5.06384706    
 O   0.369669080       4.21667576       1.95689225    
 H  -0.231829375       4.15980339       2.72126031    
 H    1.02596784       3.53493953       2.07291985    
 O   -6.30737257       10.6137981      0.223811239    
 H   -5.50282049       10.5318165     -0.304260463    
 H   -6.49912977       9.72860909      0.559565306    
 O   -4.88331175       7.42753935       5.39497375    
 H   -5.12470484       8.23859024       4.91886711    
 H   -5.34092283       7.45850468       6.23262739    
 O   -1.92820704       3.91629791      0.159767970    
 H   -2.62797046       3.93183446      0.829429507    
 H   -1.09687161       3.94258833      0.644483924    
 O   -1.47632051       4.13997746       3.93640590    
 H   -1.60689950       4.93338585       4.47272825    
 H   -2.30672669       4.02954674       3.45408607    
 O    1.16207778       9.11526012       2.45283365    
 H    2.03593898       9.49168682       2.52387166    
 H   0.633220494       9.74357796       1.92875135    
 O   0.199329242       6.85887384       1.11491752    
 H   0.433717549       5.97737026       1.43511796    
 H   0.673992157       7.53206682       1.62016356    
 O  -0.334694088       10.8034344      0.908763289    
 H  -0.471194863       10.5917406      -2.35254802E-02
 H   -1.10603929       11.3209620       1.16564798    
 O   -2.83158445       5.66554928      -1.68776023    
 H   -3.17514062       5.19687653      -2.44358873    
 H   -2.48705268       4.99295235      -1.07290208    
 O   -1.02885735       10.1257362      -1.77075803    
 H  -0.615657091       10.4274645      -2.57498407    
 H  -0.873521209       9.16469765      -1.71496081    
          69
 Energy    -249.07840163187257     
  O     12.01163280      8.92352390    -16.01604376
  H     12.66484992      8.31114077    -16.38717245
  H     17.09385156      6.16456025    -14.05200718
  O     16.56055604      7.20606547    -12.63754453
  H     12.39615301      9.80106461    -16.10496262
  H     19.36100625     10.33021346    -13.94746093
  O     15.50285096     11.19088612    -11.46938342
  H     17.03001765      7.93607352    -12.21321501
  H     20.38217475     11.07606272    -13.05427689
  O     16.21270921     10.80416690    -15.83395708
  H     15.77735209      7.02035353    -12.10061709
  H     14.75486110      8.10592130    -15.19088818
  O     14.63126200      4.77436174    -15.56006425
  H     14.85487784     11.10269264    -12.18295270
  H     15.65919910      8.11659644    -13.90886308
  O     13.90686956     10.00221846     -9.54060990
  H     15.03227229     10.90950634    -10.67152528
  H     11.37327462      8.09806934    -14.61203523
  O     14.20836957      6.87820064    -11.19796277
  H     16.48416383     11.42481464    -15.13877212
  H     10.15146020      7.36937862    -14.01029615
  O     13.62777508     10.66068385    -13.42901134
  H     15.90905811     10.00300684    -15.37496421
  H     18.53200787      7.93559492     -8.70495103
  O     18.51629910      7.24396538    -16.73459665
  H     14.38166966      3.88336379    -15.78929809
  H     17.71688755      8.64713317     -9.79767238
  O     15.02463163      7.51214450     -8.58093888
  H     14.08495820      5.03068230    -14.79414144
  H     12.39357058      6.22461798    -13.64862129
  O     18.89217554      9.74029008    -15.49965458
  H     13.20840102      9.68025665    -10.12443055
  H     13.51386333      5.89083802    -12.64372675
  O     17.22398513      5.74247734    -14.91235828
  H     14.26539158      9.21724013     -9.11047829
  H     16.54679761     12.06747450    -12.83986937
  O     19.49022438     10.74062350    -13.07289702
  H     13.59553858      7.60717367    -11.37321635
  H     17.95277649     11.89096869    -13.42636628
  O     15.13753569      8.66656855    -14.50508078
  H     14.45670877      6.95138656    -10.26850773
  H     18.36602946      9.85976174    -11.91513872
  O     11.06835863      7.57621203    -13.84859541
  H     13.38977631     11.16120025    -14.21473631
  H     16.90580291     10.05622167    -11.41184584
  O     17.64122085      8.15796829     -8.96261984
  H     14.11315911      9.88541826    -13.75883779
  H     17.07076950      8.14125553    -17.53787128
  O     13.12826316      5.62037437    -13.48642160
  H     19.14586193      6.69315828    -17.19168215
  H     16.30130749      9.47015035    -17.40495840
  O     17.07150545     12.22335446    -13.63523897
  H     18.07388455      6.67942488    -16.07515213
  H     11.76894399      8.43255628    -12.31525940
  O     17.66205373      9.45075001    -11.39696793
  H     15.97305325      7.71360313     -8.66096388
  H     12.72262754      9.62868294    -12.25986256
  O     16.26922903      8.60258578    -17.82049791
  H     14.88975080      7.15809207     -7.70587211
  H     13.31580444     12.24081078    -16.69314101
  O     12.35063202      8.91780841    -11.71710421
  H     18.05692970     10.15909326    -15.73600773
  H     14.42994360     11.32324055    -16.15360132
  O     13.47312102     11.47883634    -16.14037710
  H     18.86875910      8.86041053    -15.89566121
  H     14.31647131      6.36811438    -16.49580406
  O     14.11661803      7.28305395    -16.72567450
  H     16.38251482      5.32919747    -15.13988016
  H     14.85428446      7.65022379    -17.23594833
          69
 Energy    -249.07820228751882     
  O     -0.32719698     -7.56649464      2.64933418
  H     -0.48438459     -8.37049698      3.16129375
  H      1.04525452     -3.21450953      2.36150000
  O      0.72714468     -6.06692520      6.14143358
  H      0.58325765     -7.28504230      2.82363517
  H     -0.27097075     -7.78369022      0.87530837
  O      3.91008421     -8.61121295     -0.95979980
  H      0.02660364     -5.54529045      5.73449840
  H     -0.94847114     -7.19919317     -0.37696849
  O     -2.02412599     -5.59660149     -0.57921322
  H      1.55451927     -5.62456612      5.90674794
  H     -1.15040083     -6.04958352      2.41588649
  O     -1.13695831     -4.29916634      4.80628560
  H      4.50431670     -8.27547482     -0.26453011
  H     -1.86208638     -5.24330314      1.30457375
  O      5.74595658     -5.37940644      4.33355172
  H      4.46145718     -9.05084990     -1.60167442
  H      1.71163087    -10.69132032      1.77602800
  O      1.66023622     -9.88351377      0.25043700
  H     -2.73634384     -5.42421705     -1.18897178
  H      1.88742496    -12.04176808      2.50809940
  O      5.70635443     -8.21328433      3.63038900
  H     -1.26193584     -5.06980424     -0.88032304
  H      2.69873548     -6.43940075      2.22875764
  O      1.25949329     -8.72401748      6.19704647
  H     -1.93935457     -3.95149177      5.18908808
  H      2.73746362     -7.65381588      3.24479330
  O      2.01719106     -6.54714059     -1.16878801
  H     -1.35843551     -4.56340290      3.89909101
  H      0.28059492    -10.39452483      3.64653945
  O      1.28756975     -2.87515715      4.11035989
  H      6.54910560     -5.03850759      4.72124719
  H      0.10562519     -9.54390117      4.92047215
  O      0.81699963     -3.65150032      1.52790002
  H      5.76243107     -5.12883252      3.39583752
  H      2.76407579     -9.92444654      3.65163723
  O     -0.24374510     -7.79248829     -0.09395105
  H      0.93153833     -9.29275767      0.02503250
  H      2.58592534     -9.05622050      4.92652641
  O     -1.49567636     -5.16909561      2.19287252
  H      2.45057933     -9.50947193     -0.15768227
  H      5.70056775     -6.66285753      1.02930802
  O      1.76029159    -11.10834636      2.65488483
  H      5.70845344     -7.33139107      4.01880456
  H      5.63094893     -7.95555557      1.84789767
  O      2.28113027     -6.83800303      3.00120265
  H      4.89132689     -8.64212408      3.92614456
  H      4.71139417     -4.82272927      1.35770158
  O     -0.35979186     -9.86252646      4.13606635
  H      1.28168263     -8.98224950      7.11484803
  H      6.03752294     -4.07867626      1.07645968
  O      3.16291657     -9.21086011      4.16680046
  H      1.02650246     -7.77878874      6.18192599
  H      2.78231674     -5.60891874      0.15189787
  O      5.52206129     -7.60471668      0.95155401
  H      2.69150877     -7.23174138     -1.26289578
  H      2.32433798     -4.55195636      1.19437111
  O      5.65151159     -4.77000211      1.60816648
  H      1.23282619     -6.98620834     -0.80677670
  H      2.67091638     -5.61152515      4.25475584
  O      3.06484483     -5.11917431      0.93589946
  H      0.45582488     -3.21851286      4.45938333
  H      3.95296619     -5.03501776      4.87884080
  O      2.99258676     -4.97628927      4.91391751
  H      1.97002028     -3.47847127      4.43504842
  H      0.94287409     -4.93276480     -1.37938044
  O      0.26781969     -4.26819432     -1.19293053
  H      0.03579060     -4.18524763      1.72263684
  H      0.51811580     -3.86018024     -0.35283067
          69
 Energy    -249.07815004364980     
  O      9.02905440     10.03338622    -12.39760759
  H      9.70984860      9.56360457    -11.88327597
  H     14.05946210     12.85267969    -11.89325010
  O     13.97044710      9.89334675    -13.06005076
  H      8.18441882      9.71746533    -12.08859915
  H     18.78468539     11.60408335    -14.10717710
  O     14.46752457      6.75768203    -14.81969098
  H     14.86404388      9.79414669    -12.71061585
  H     17.26269392     11.70433198    -14.36420812
  O     10.32810524     12.40070973    -13.09140868
  H     13.51126835     10.57223062    -12.54851083
  H     13.88810567     10.44647873     -9.69001504
  O     13.79659911     15.82374232    -12.70106720
  H     14.53279941      7.30752124    -15.60890702
  H     12.86705611     10.21231501     -8.55708545
  O     15.79620808     12.65141269    -14.57577172
  H     13.61961347      6.96878704    -14.40549728
  H     17.36976063      8.07061305    -14.92135889
  O     12.61946107     11.89182563    -11.67522560
  H     10.68989625     12.17902965    -13.96342269
  H     17.72351035      9.53769376    -15.23178883
  O     14.01558269     10.78855534    -15.61860289
  H      9.75070650     11.67208568    -12.83063103
  H     15.43476768     11.94166944    -10.67464303
  O     16.76664316      7.02267402    -13.43231382
  H     13.74434752     16.68973209    -12.30588284
  H     15.98405524     10.50680207    -10.75486866
  O     11.03543284      8.71287201    -11.12229457
  H     12.88189238     15.55041677    -12.89698850
  H     12.34051802     11.46819273    -15.64949270
  O     11.90124091     14.54769309    -16.25419742
  H     15.16459622     12.05031539    -14.99721112
  H     11.51477781     12.74209235    -15.92232955
  O     14.90260767     13.31866348    -12.01494123
  H     15.48673656     12.83761475    -13.67621950
  H     15.21096161      8.33054826    -17.87907700
  O     17.98605853     11.08587533    -14.16420129
  H     11.76281251     12.06459624    -12.08514803
  H     15.98832951      8.64482239    -16.57673245
  O     12.97008252     10.18021387     -9.50490583
  H     12.49482518     11.39993239    -10.85473469
  H     14.31615132     15.41434989    -14.50314217
  O     17.46696181      8.70384170    -15.64399443
  H     13.98320989     10.41668492    -14.72239347
  H     15.01456106     14.25939904    -15.23969949
  O     15.46903418     11.10450147    -10.19612264
  H     14.32770409     10.08306152    -16.19793885
  H      9.74910666      9.52318203    -14.13895264
  O     11.44942713     11.84063896    -15.58337308
  H     15.91518487      6.87164406    -13.88252107
  H     10.60576817     10.11766336    -15.27305790
  O     15.09826451      8.59442100    -16.96976216
  H     17.09491585      6.16672133    -13.17137863
  H     17.15712487     10.07971734    -12.81298906
  O     14.43575252     15.01954033    -15.37629628
  H     11.46876857      8.24878631    -11.85202866
  H     16.70551461      8.62487504    -12.51834384
  O     10.30853393      9.28438796    -14.88815836
  H     11.73218465      9.06583063    -10.55922715
  H     11.39331742     14.95472069    -14.44598270
  O     16.62229409      9.53960350    -12.21695972
  H     11.71326906     15.07582425    -17.02546817
  H     10.86490280     14.21252876    -13.21000776
  O     11.31926327     15.01863863    -13.48534158
  H     12.83454902     14.70656740    -16.02586585
  H     11.55478961      8.22158977    -14.09381246
  O     12.23312903      7.82018724    -13.53010634
  H     14.66311544     14.24590059    -12.13468140
  H     12.87914724      8.51977551    -13.34422537
          69
 Ord_Energy   -249.078003    
 O    3.34068394       9.96868324      -11.1444626    
 H    4.11849499       9.70694923      -11.6516447    
 H    2.74245524       10.4108305      -11.7646141    
 O   0.993587852       13.1135349      -9.26457310    
 H   0.989370883       13.3300409      -10.2053480    
 H    7.63923526E-02   13.1768513      -8.97157669    
 O   -1.95299268       13.0757828      -11.4820185    
 H   -1.04675245       13.2720003      -11.7485619    
 H   -1.97406220       13.1598225      -10.5206966    
 O    1.16691363       7.16418648      -8.52354050    
 H    1.41342735       7.75767422      -7.80227137    
 H   0.367770493       6.69643927      -8.24748325    
 O  -0.628203332       9.68712234      -12.4871073    
 H  -0.464500666       9.64739704      -11.5315008    
 H   -1.51250207       10.0502806      -12.6126013    
 O    2.45253181       7.29874563      -10.9149923    
 H    2.07788730       7.13096809      -10.0388203    
 H    2.68270826       8.23698711      -10.9547710    
 O   -1.79869747       13.1091166      -8.64512348    
 H   -2.30213499       13.6016169      -8.00232124    
 H   -1.97362530       12.1667156      -8.47747231    
 O   -1.83939838       6.75306606      -10.3885107    
 H   -2.44232941       7.50534153      -10.4877234    
 H   -1.27426004       6.72552490      -11.1670055    
 O   -2.10418963       10.4248562      -8.35752678    
 H   -1.38968849       10.1535120      -8.95315742    
 H   -1.96836150       9.90074444      -7.55578852    
 O    5.30210686       8.87297058      -12.8867979    
 H    5.03111887       7.94096947      -12.8718109    
 H    6.24687672       8.88203239      -13.0200672    
 O    2.11803722       7.09432220      -14.5870934    
 H    2.83810949       6.68775892      -14.0928802    
 H    1.33171034       6.98073387      -14.0385752    
 O   -3.14482832       10.9022055      -12.5530081    
 H   -3.75466323       11.1586018      -13.2391472    
 H   -2.77375865       11.7227993      -12.1813679    
 O   -1.24366879       8.70711803      -6.39515781    
 H  -0.296817601       8.88951206      -6.37174797    
 H   -1.33963418       7.83328390      -6.79567671    
 O    2.29782557       10.8148813      -8.69930649    
 H    1.92370045       11.7003756      -8.83665848    
 H    2.82482171       10.5827427      -9.47543812    
 O    1.64236069       9.16484737      -6.61539412    
 H    1.91353869       9.81241798      -7.28875208    
 H    2.22137666       9.28978157      -5.86775351    
 O   0.112141788       7.02136326      -12.5243988    
 H   0.896697283       7.07924175      -11.9622059    
 H  -0.195606247       7.93159437      -12.6512995    
 O   -1.33705759       6.20247173      -7.82346439    
 H   -1.58766067       6.36041260      -8.75380135    
 H   -1.76843154       5.39605331      -7.55623674    
 O   -3.45354557       9.00782013      -10.4316273    
 H   -3.47166204       9.63782501      -11.1615562    
 H   -3.19729829       9.51538086      -9.65159607    
 O    1.63150692       11.1242723      -13.0311251    
 H    2.14870477       10.7094622      -13.7377882    
 H   0.811258316       10.6182842      -12.9327602    
 O    6.73235729E-02   9.52717590      -9.82561779    
 H   0.797517419       10.0668058      -9.49716473    
 H   0.230987236       8.63199329      -9.50716782    
 O    3.17427921       9.67258358      -14.7303209    
 H    3.99699283       9.49889088      -14.2615767    
 H    2.73901629       8.81027603      -14.8121252    
 O    4.22899675       6.30454588      -12.7060385    
 H    4.46127892       5.39176464      -12.5571470    
 H    3.59246659       6.55180597      -12.0112267    
 O   0.808967292       13.5345402      -12.0733051    
 H    1.14725626       12.7094889      -12.4612589    
 H    1.16074252       14.2486343      -12.5988960    
          69
 Energy    -249.07782530184710     
  O     16.81857523      4.61788141    -16.29422444
  H     16.45206698      3.88023472    -15.79123339
  H     15.06873119     11.20112606    -15.29332188
  O     19.10386387      8.20422414    -10.99840360
  H     16.25321434      5.37617538    -16.09764549
  H     13.76426757      9.22720873    -15.78366118
  O     13.60169129      9.98358558     -9.68661575
  H     19.21514792      7.80872812    -11.87090670
  H     12.58083101      8.55174829    -16.51747074
  O     17.11984758      8.80918557    -14.50876950
  H     18.43074644      7.68094454    -10.54324282
  H     16.25249260      9.36598777    -11.67836702
  O     19.39819517      4.89251362    -15.46090602
  H     12.98652286      9.27006373     -9.89094813
  H     15.21899728      8.19333216    -11.82724299
  O     11.94936436      7.85573709    -10.75031320
  H     13.62581956     10.53402508    -10.48069729
  H     16.85668591      2.70403266    -14.01565111
  O     16.82764197      6.98763398     -9.67106936
  H     17.82979263      8.20103038    -14.25956386
  H     15.73498475      1.72338095    -14.43669001
  O     14.45581765      6.69930590    -11.05053468
  H     16.53567008      8.87841444    -13.73323232
  H     16.00792132      9.81925019     -7.62927712
  O     17.59702323     11.49406998    -13.33807375
  H     20.01361821      4.75557071    -16.17599607
  H     15.14346402      9.67604413     -8.90200712
  O     15.28938051      6.76885513    -15.28028519
  H     18.50389042      4.81811006    -15.83975330
  H     16.61284308      5.14271763    -12.21018886
  O     18.85854220      6.88428809    -13.54831171
  H     11.89190142      8.25473814    -11.63815163
  H     17.34968676      5.66185572    -10.94397817
  O     15.07655308     10.36520046    -15.77512332
  H     11.06365179      7.60938462    -10.49937322
  H     14.17292385     11.73497404    -12.86036348
  O     13.11938393      8.49793019    -15.73179579
  H     16.68255320      7.77694455     -9.13601184
  H     14.42184892     10.29883950    -12.35831946
  O     15.60871772      8.95472288    -12.27239267
  H     15.96101654      6.80679003    -10.06734617
  H     17.07977852     10.26508040     -9.92201499
  O     15.95519773      2.64903741    -14.38137502
  H     14.46688498      6.03648987    -11.75451779
  H     18.20841531      9.71116704    -10.83881090
  O     16.03028289      9.51572991     -8.53313890
  H     13.54395917      6.98282431    -10.90910636
  H     15.38134550     13.58856580    -14.30753463
  O     17.48015888      5.21136126    -11.78616497
  H     17.71189955     10.66974671    -13.82148071
  H     16.14224028     12.33814492    -13.80530831
  O     13.79537611     11.03916620    -12.31154866
  H     17.62515870     11.25565381    -12.39999434
  H     15.18429709      4.12721159    -13.52302576
  O     17.50856339     10.38240684    -10.77756685
  H     14.47709421      7.25268339    -15.47579600
  H     15.07575112      5.63082267    -13.88737269
  O     15.27118918     12.66618139    -14.09397932
  H     15.96592036      7.43145225    -15.09253249
  H     18.92964559      3.62226110    -14.06612143
  O     15.02305610      5.00328873    -13.15160109
  H     19.19828616      6.29190762    -14.23007796
  H     18.25857771      3.74254024    -12.68533013
  O     18.44777095      3.11785673    -13.39903353
  H     18.36466897      6.31976118    -12.93529442
  H     12.49097119      9.87802398    -12.92658878
  O     11.99484318      9.07832007    -13.15291461
  H     15.88710362      9.91173041    -15.51222139
  H     12.31445073      8.80548986    -14.01983523
          69
 Energy    -249.07770259240667     
  O     11.56691015     10.19658211    -14.85986487
  H     11.96745798     11.05773616    -14.69400544
  H     15.30247779      6.28979374    -16.48415647
  O     16.33762520      6.94308882    -13.64773924
  H     12.09005644      9.79124896    -15.56523393
  H     21.03250602      8.68008322    -13.32828237
  O     16.82646313     10.98374869    -11.61630594
  H     15.62902290      6.65848463    -13.05503418
  H     19.76811646      8.84798915    -14.18739926
  O     17.10336028     11.23737103    -14.39887472
  H     16.97776364      7.40896879    -13.09307376
  H     15.20386447     11.72091473    -16.78544061
  O     13.41429105      6.18722046    -16.51370213
  H     15.88702019     11.00447631    -11.84810389
  H     15.92532180     12.16797992    -15.50342281
  O     14.88746504      8.86998037     -8.94202282
  H     16.86334217     11.11373116    -10.65782082
  H     15.52130741      8.42891324    -14.27556841
  O     14.39566946      6.42462584    -11.72357505
  H     17.19958031     11.33463417    -13.44306716
  H     14.50358792      9.15002791    -15.22049206
  O     14.17651860     10.85613720    -12.49558648
  H     16.44611833     10.53276940    -14.52009488
  H     11.14423518      9.03960978    -13.64456435
  O     17.42167476      8.47259335    -17.73941540
  H     13.13454219      6.16906661    -15.57976849
  H     10.00347703      8.31119742    -12.89546190
  O     16.57841626      6.78751756     -9.96735876
  H     12.93779465      5.48935925    -16.95504952
  H     13.22167528      6.11156679    -13.17491822
  O     19.01857601      9.60738928    -15.59560473
  H     15.44614794      8.12100070     -9.18374335
  H     12.00094510      6.91808685    -13.65204765
  O     16.24121566      6.48323260    -16.37806555
  H     14.13819371      8.84905280     -9.54984048
  H     18.71121505      8.40842835    -12.25826610
  O     20.09939653      8.48604689    -13.34771301
  H     13.91867595      7.24028810    -11.50800085
  H     17.52654673      9.28579133    -11.73374784
  O     15.15988599     12.35794763    -16.06449312
  H     15.09289090      6.34767666    -11.06055203
  H     15.94420677     10.30318164     -8.84018421
  O     15.13897242      9.28393804    -14.50869623
  H     14.46347510     10.23963618    -13.18920130
  H     16.50687547     11.50162009     -8.05712660
  O     10.95170390      8.34470226    -12.98926404
  H     13.74181282     11.57896468    -12.96131943
  H     15.40035063     10.58672432    -19.01799951
  O     12.63792704      6.24849217    -13.93112641
  H     17.00865852      7.73617731    -17.25175591
  H     16.11631199      9.68983958    -17.98481019
  O     17.85771355      8.38014906    -11.80108426
  H     18.01511402      8.07882431    -18.37428664
  H     12.21113905      8.61751674    -11.61129980
  O     16.57142377     11.04459560     -8.89083943
  H     17.20121855      6.25210742     -9.48281984
  H     13.41743654      9.56732615    -11.50563386
  O     15.35654701     10.28023138    -18.11497184
  H     17.09935320      7.34625034    -10.56991288
  H     13.76435589     12.55604178    -15.01574114
  O     13.01907233      8.77818685    -11.10884349
  H     18.44321735     10.28400848    -15.21075405
  H     12.73498762     13.52087470    -14.38567619
  O     13.02628010     12.61308926    -14.38329385
  H     18.52050314      9.22172594    -16.32276591
  H     13.34634579      8.02305991    -16.75023533
  O     13.33378474      8.98378726    -16.64707632
  H     16.39756793      6.52156119    -15.42379609
  H     13.95229518      9.37360577    -17.27741679
          69
 Energy    -249.07740443706530     
  O     16.16621349     10.63601972    -11.46211477
  H     15.66499852      9.88705551    -11.81460200
  H     20.08576287      5.33184437    -12.83075961
  O     15.32755459     12.95003745    -10.30913868
  H     17.10760850     10.45715709    -11.59931613
  H     16.83780018      6.53292746     -8.05376789
  O     12.84937222      5.91598428     -9.45369266
  H     15.57838341     12.14456543    -10.79378812
  H     16.57373547      7.59156683     -9.12501782
  O     14.84531452      8.36653285    -12.36571191
  H     14.97301405     13.55860945    -10.95219536
  H     19.16013166      7.66348300    -13.57089325
  O     18.83358130      9.99283803    -11.57394967
  H     13.05517200      6.29000984     -8.58303013
  H     18.84970036      9.13038713    -13.23055922
  O     19.95976578     11.81918713     -9.78128597
  H     12.22333464      5.21048982     -9.30628453
  H     15.64833785     12.18982130     -6.76582060
  O     19.25328403      7.58695754    -10.23172813
  H     15.21860863      8.21277679    -13.24319934
  H     16.38706861     12.76032020     -5.53068597
  O     14.24269941     12.13600584     -7.79231689
  H     15.01247214      7.56018619    -11.85752983
  H     16.15844319      7.87841989    -15.64479330
  O     12.43057373      8.46466077    -10.82624305
  H     18.94979300      9.16053117    -11.09144345
  H     17.16251721      8.08200126    -14.48458625
  O     13.34584204      9.55315595     -8.46542791
  H     19.29395022     10.67274763    -11.06657072
  H     16.18586273      9.83205503     -9.79120816
  O     13.37399853      7.23840317     -7.01896942
  H     20.66768611     12.45743523     -9.78732863
  H     16.52235861      9.49093101     -8.28071993
  O     19.50580150      6.04674056    -12.58272058
  H     19.17609800     12.26916841     -9.41697235
  H     16.94308542     13.06640895     -9.31943410
  O     16.94522196      6.70296470     -8.99865853
  H     18.49820224      7.18855688     -9.77501212
  H     17.41310843     12.75697026     -7.88492711
  O     18.77143471      8.47022258    -13.93182987
  H     19.45470845      7.01296214    -10.98097844
  H     16.62634123      7.85235941     -6.31944015
  O     16.50778705     12.22049744     -6.30716549
  H     14.50029097     12.46510429     -8.66292645
  H     15.30702244      7.06635758     -6.50810087
  O     16.26712469      7.76676830    -14.70445939
  H     13.77885147     11.30352701     -7.94960330
  H     15.89165991      6.08789397    -10.28331596
  O     15.98365341      9.25250013     -9.04890238
  H     12.44577266      7.56186314    -10.48672614
  H     14.39221005      5.80952603    -10.52606925
  O     17.73094255     12.95508257     -8.77399786
  H     13.15063347      8.51578053    -11.46839144
  H     19.91100896     10.28203427     -8.63127020
  O     16.25174470      6.96038171     -6.35071360
  H     14.29328629      9.45589355     -8.65750627
  H     19.72161109      8.76103639     -8.77530243
  O     15.23235327      5.94305839    -10.97903317
  H     12.88613198      9.31450620     -9.28297913
  H     17.17931263     10.47679635     -6.44105036
  O     19.72630452      9.47900543     -8.12986466
  H     12.84290698      7.27859112     -6.22678527
  H     18.27528595      9.55807737     -7.09354598
  O     17.38549991      9.57269247     -6.70600687
  H     13.31363988      8.11394528     -7.43895841
  H     16.62714829      6.10099640    -13.78010707
  O     16.92318731      5.42776314    -13.15557872
  H     18.59651766      5.74531077    -12.75995073
  H     16.29732297      5.45646034    -12.41927403
          69
 Energy    -249.07722716219138     
  O     11.63428954     11.05838644    -14.68755849
  H     11.72695263     10.69771970    -13.78718953
  H     14.85148267     11.87949151    -16.96327279
  O     16.48515653      7.09422475    -13.26051788
  H     10.75672487     11.42633447    -14.74532496
  H     15.40492441     10.05324434    -14.05024812
  O     17.32556629     10.32046413    -16.31421382
  H     17.38953147      7.36198955    -13.47513997
  H     15.74589017      8.52833198    -14.10268096
  O     12.91078260      6.41656693    -14.42518940
  H     16.20505466      6.44078334    -13.91423803
  H     12.00351097      9.00789339    -12.13724567
  O     16.55348921     11.32800837     -9.26046666
  H     16.81483417     10.85257103    -16.93372687
  H     12.65468427     10.31233145    -11.65062901
  O     14.97059626      7.86337658    -11.07655677
  H     16.66554983      9.88790988    -15.75092378
  H     19.21805020      8.38410155    -12.18767717
  O     15.50674629     11.56508794    -13.08818092
  H     13.72493254      5.99243677    -14.71539552
  H     20.17352046      8.78396070    -11.04944341
  O     18.34793763      7.69784440    -16.57182600
  H     12.81426470      7.21230378    -14.96860155
  H     11.72356030      6.55641007    -11.51518803
  O     17.09913531      8.67746114     -9.42158565
  H     16.76719783     10.37783075     -9.20875100
  H     12.54743708      6.84164458    -12.79411020
  O     15.95646396      6.58282825    -17.73734719
  H     16.69154592     11.69174318     -8.39038103
  H     18.82118211     11.22716672    -13.54107960
  O     15.47210706      5.40283577    -15.27874186
  H     14.07834892      7.53834026    -11.25071335
  H     18.58116787     10.79557922    -15.01640817
  O     15.30054304     11.60158934    -17.78192922
  H     15.52436189      7.55488183    -11.80832759
  H     18.89905396      7.73089168    -14.84620248
  O     15.39566969      9.26701123    -14.61376590
  H     16.41229827     11.56424277    -12.75255230
  H     19.16203245      9.00331205    -14.02759158
  O     11.96640543      9.96697305    -12.23382592
  H     14.95557926     11.31073148    -12.33526669
  H     18.40300510     10.47331176    -11.62087126
  O     19.25084279      8.76562865    -11.29589446
  H     18.12346263      8.63801308    -16.62467033
  H     17.53757254     11.51508999    -10.90109417
  O     12.37482510      7.14645965    -11.88502757
  H     17.61705307      7.24436367    -17.00374091
  H     13.83413917      8.80846725    -17.40134215
  O     19.21447909     10.75871701    -14.28478955
  H     17.85648140      8.57042821    -10.01083798
  H     14.81695577      9.76255373    -18.09710748
  O     19.01426230      8.04729773    -13.93853349
  H     16.34799637      8.26874043     -9.87291951
  H     14.54790159      9.63773415    -10.89896360
  O     17.96105358     11.32298031    -11.74735672
  H     16.02900766      6.17270771    -18.59550082
  H     14.92707500     10.95202343    -10.17790984
  O     14.52236684      8.84483968    -18.08089697
  H     15.46203248      7.41140470    -17.87177229
  H     14.62704825     12.22761224    -14.63590363
  O     14.29512489     10.56826536    -10.79695717
  H     15.62398108      5.81019503    -16.14672318
  H     13.22547850     11.96686155    -15.21570268
  O     14.09801906     12.31296190    -15.43946949
  H     15.65255762      4.47072743    -15.37868861
  H     12.38294346      9.56045823    -15.52265037
  O     12.95555243      8.83316483    -15.79126905
  H     15.24285951     12.33639599    -18.38642697
  H     13.82157825      9.00640143    -15.38496325
          69
 Ord_Energy   -249.076874    
 O   -8.72477436       2.09280944       8.79358864    
 H   -9.19149590       1.71066999       9.53148174    
 H   -7.86973238       1.62707794       8.73174572    
 O   -4.73915625       3.26166940       9.50566292    
 H   -4.16208887       3.47051835       8.74982548    
 H   -4.19825888       3.32087898       10.2884464    
 O   -9.66137981      0.861201465       4.27890158    
 H   -9.62443924       1.57127929       4.94115543    
 H   -10.5404625      0.493262082       4.31862259    
 O   -1.98653114      0.356846333       2.34323859    
 H   -2.58366060     -0.389589787       2.20427251    
 H   -2.55579591       1.13281178       2.43481207    
 O   -8.15747738       1.69780183       1.93463409    
 H   -8.77759743       1.42249668       2.61934376    
 H   -7.95033646       2.62442493       2.12384582    
 O   -3.89086127       2.33375573       3.06715035    
 H   -3.69897485       2.15532184       4.00012445    
 H   -4.08062315       3.27412319       2.98464823    
 O   -6.99781418       2.56655402E-02   4.78049469    
 H   -7.94487238      0.145238623       4.64401150    
 H   -6.57795286       5.33563606E-02   3.90850639    
 O   -4.97399521     -0.363466054       6.58398008    
 H   -4.38376188      -1.02340078       6.19167566    
 H   -5.75507021     -0.328159302       6.01234150    
 O   -8.83953667       5.36414194       4.89556694    
 H   -9.21746635       4.59220982       5.33565044    
 H   -8.35291100       5.83514452       5.58323956    
 O   -9.20497799       2.82709813       6.15514660    
 H   -9.20376301       2.56935167       7.08562517    
 H   -8.27011967       2.89629412       5.90584612    
 O   -7.20407438       4.52886009       8.88732529    
 H   -6.34477091       4.16910648       9.14271736    
 H   -7.81381512       3.78253269       8.90058994    
 O   -4.64579630       5.09281683       3.05016017    
 H   -4.14701796       5.84524584       2.74256563    
 H   -4.76085806       5.20132494       4.01025867    
 O   -1.05109334      -5.44976108E-02   4.85799170    
 H   -1.26676524       9.07364935E-02   3.91908908    
 H  -0.101106703      -9.07577723E-02   4.92282867    
 O   -7.35162163       4.18843937       2.89091659    
 H   -6.50005913       4.62577724       2.77970052    
 H   -7.89481354       4.72380257       3.49093199    
 O   -4.01289988      -1.66415465       2.31358767    
 H   -4.70616913     -0.984932244       2.25404596    
 H   -4.24169540      -2.34361076       1.68431270    
 O   -3.18590593       1.58881068       5.67090416    
 H   -3.83609486      0.968837678       6.02983427    
 H   -2.38386869       1.08134663       5.49145651    
 O   -6.59783363       2.78646564       5.20047426    
 H   -6.60734320       1.82616985       5.11681366    
 H   -6.83957863       3.15233278       4.33618355    
 O   -6.26477718       1.00245905       8.68010330    
 H   -5.66263676       1.69629133       8.97669888    
 H   -5.77964687      0.466273338       8.04054165    
 O   -5.77188396      0.428079218       2.32004237    
 H   -5.14876509       1.13969553       2.52754092    
 H   -6.60081816      0.836220086       2.02831602    
 O   -7.25429249       6.46993446       7.01559448    
 H   -7.37105513       7.31422853       7.44234896    
 H   -7.27804136       5.79432058       7.71826363    
 O   -3.26921129       3.83210015       7.31769991    
 H   -3.82668447       4.41860676       6.79005098    
 H   -3.13588166       3.04509783       6.77100086    
 O   -3.24115896      -1.91371465       5.09548903    
 H   -2.40977907      -1.42379510       5.09081602    
 H   -3.53445125      -1.93062925       4.17616749    
 O   -5.19485998       5.09410620       5.72431183    
 H   -5.63546133       4.23029184       5.66953039    
 H   -5.82163334       5.69172716       6.14975023    
          69
 Energy    -249.07661466887350     
  O     14.61129402     11.06764438    -14.35987092
  H     15.01123487     10.78421068    -15.19042368
  H     18.61750968      3.37030915    -14.72639323
  O     13.88988490      5.45540690    -17.25531242
  H     15.30270943     11.06713481    -13.67958883
  H     15.26755122      5.08572641    -16.08144848
  O     13.51921315      6.51832726    -11.88994438
  H     13.76120831      6.41724381    -17.33673495
  H     15.28787431      4.73817385    -14.57204401
  O     17.32070856      5.21518016    -10.01559577
  H     13.71162422      5.08236871    -18.11472191
  H     14.89029898      6.95966668    -10.89162177
  O     12.15095602      4.85432837    -15.01891321
  H     13.69798931      7.16965201    -12.58577670
  H     15.33388759      8.25547323    -10.19582717
  O     11.91321530     10.96003496    -13.76138171
  H     12.60291267      6.66008120    -11.61650880
  H     14.83173235      7.99695010    -14.32344247
  O     13.49110611      8.12697656    -17.38543437
  H     16.73239032      5.98556266    -10.07166485
  H     14.16097058      9.29812248    -13.85567014
  O     14.48335194      9.96021612    -10.18652707
  H     17.50934631      5.08318812     -9.08951882
  H     16.43213429     10.08721971    -17.23120351
  O     19.04990479      5.87356753    -12.22136563
  H     12.65765106      5.04034869    -15.81714642
  H     16.11088732      9.03676072    -16.14186006
  O     11.68597479      8.60191796    -15.29310815
  H     12.78132826      4.48776587    -14.38459004
  H     10.61127537      7.13704893    -12.39021304
  O     16.42870516      3.25103535    -11.91395352
  H     11.65377370     10.26268224    -14.37767961
  H     11.17007507      8.26699255    -11.47760469
  O     18.12981259      3.94524671    -14.14135445
  H     12.81469532     11.20959586    -14.01127925
  H     11.17901016     10.56926775    -10.75174883
  O     15.85192605      4.99571898    -15.31795901
  H     14.19562856      8.76550243    -17.22857482
  H     11.87048050     10.42702542    -12.12398184
  O     15.64281162      7.37642339    -10.44239056
  H     12.76369976      8.36806403    -16.79534243
  H     14.89541483      3.76092964    -12.71669002
  O     14.05686404      8.33787259    -13.85954735
  H     14.46364986     10.53845660     -9.42650092
  H     13.94889253      4.99488051    -12.69320961
  O     15.74133067      9.78079675    -16.64881453
  H     13.58473293      9.95800945    -10.55152305
  H     10.87281979      5.88533125    -14.44671551
  O     10.94934263      7.32844337    -11.50546449
  H     18.59917283      5.57658512    -11.42038461
  H      9.34814445      6.11868202    -14.34420857
  O     11.86463265     10.08871624    -11.21054876
  H     18.83726431      5.22259715    -12.90164759
  H     16.90281026      7.83040983    -14.20079389
  O     14.22307352      4.23424310    -13.22659390
  H     11.04402960      7.94714262    -14.99286009
  H     16.36641197      6.73374288    -15.18286672
  O     10.19252206      6.52159943    -14.15967838
  H     12.49768409      8.42379713    -14.79230722
  H     16.88454268      9.88022130    -12.39786702
  O     16.49101893      7.68415013    -15.06550126
  H     17.08854133      3.35090500    -12.61099453
  H     15.75686298     10.50004146    -11.54933998
  O     16.34811012     10.67662450    -12.29077148
  H     16.70407562      3.84530702    -11.20510629
  H     18.15226134      7.40932706    -12.45516348
  O     17.45142738      8.07457066    -12.51991969
  H     17.38211604      4.29288908    -14.65373900
  H     16.80284013      7.84372443    -11.84217966
          69
 Energy    -249.07655049782790     
  O     18.39083781     10.18085158     -6.74112427
  H     18.35370903     10.79978867     -6.01635167
  H     17.06954211      9.89740909     -8.01789558
  O     18.84087714      5.87946761     -9.77284449
  H     19.05603384     10.52042487     -7.36664474
  H     19.86166744     11.46082057     -9.39511489
  O     18.11918974      9.00015228    -13.20097594
  H     18.41405728      5.39200249    -10.48854444
  H     20.72949508     10.29300632     -8.88864834
  O     21.58469663      7.68968482    -12.23983753
  H     18.71699451      6.81649725     -9.99140854
  H     15.76188053     10.24392923    -12.21431962
  O     17.34590198      4.99462330    -11.88619339
  H     17.16654245      9.10939111    -13.27560175
  H     14.72814791      9.97422921    -13.33614487
  O     20.44877421     10.35215523    -12.80873106
  H     18.36669151      8.09654937    -13.45229028
  H     18.67756270      5.86086052    -12.98515872
  O     20.85887945      6.35915090     -7.97912400
  H     21.54782630      7.96420033    -11.30982401
  H     19.98333292      6.71852982    -13.01899755
  O     15.20678482      3.80428945     -8.37238847
  H     22.49300433      7.45391380    -12.41590499
  H     14.16724180      4.19834201    -11.37881933
  O     21.15627505      8.59658983     -9.64920506
  H     16.83171757      4.20919455    -11.66299165
  H     14.14596625      5.71762436    -11.60848999
  O     18.51398544      8.52674180    -10.42707404
  H     16.73025262      5.74192143    -11.83562738
  H     14.29431702      6.91142936     -8.69179123
  O     18.77658435      7.39303206     -6.23859337
  H     21.01386814      9.58322952    -12.69048130
  H     15.79545559      6.84655630     -8.31758093
  O     16.55926545      9.76074913     -8.82577458
  H     19.60069839      9.98107639    -13.10083369
  H     15.38506224      7.88918419    -11.98864961
  O     20.17505957     11.02553930     -8.59196816
  H     20.19533400      6.05450480     -8.62261664
  H     15.39556473      7.21509205    -10.58670793
  O     15.39666578      9.55599671    -12.80083406
  H     21.36219445      5.59196490     -7.71810242
  H     19.78066560     11.51426351    -11.68648621
  O     19.17057435      6.51405654    -13.49693715
  H     14.39192443      4.32077163     -8.37615515
  H     19.55669485     13.00237927    -11.34316465
  O     13.57869986      4.96289591    -11.39677922
  H     15.87900703      4.37837086     -7.98085171
  H     17.55003737      6.29634312     -6.98427707
  O     15.12651737      7.39559705     -8.75357487
  H     21.20188733      7.88656785     -8.99618181
  H     17.65048236      5.70658242     -8.40298891
  O     15.46450992      7.04139803    -11.53547051
  H     20.22313683      8.67308266     -9.91225510
  H     12.04173854      5.52945150     -8.61669292
  O     19.31952080     12.11714531    -11.07682627
  H     18.36297992      8.72515661    -11.35962006
  H     13.07170671      5.34867349     -9.75865495
  O     17.06357819      5.77308654     -7.63702640
  H     17.85070344      8.99675663     -9.90758150
  H     16.44222664     10.90408831    -10.23453693
  O     12.97210795      5.57906773     -8.81733002
  H     19.57898120      7.13295781     -6.70624586
  H     17.44843437     11.63643105    -11.14442230
  O     16.53576115     11.32874243    -11.09969563
  H     18.68011434      8.34437908     -6.36922599
  H     15.51239448      3.21382280     -9.99388772
  O     15.61639951      2.98089878    -10.93411160
  H     15.96475669      9.00939780     -8.69530330
  H     15.57236766      2.03006770    -10.98810262
          69
 Energy    -249.07653183357019     
  O     13.33773889     12.00068730    -13.61984709
  H     14.21573036     12.36432875    -13.77774004
  H     16.67270194     12.45232432    -17.83624057
  O     15.22735403      6.29627199    -13.84564502
  H     13.32846717     11.64291902    -12.72287150
  H     15.34879605      8.08231089    -14.22104070
  O     18.62276953      8.89174682    -12.08597124
  H     16.16610273      6.22659755    -13.62386019
  H     14.63628374      9.33467934    -14.81306177
  O     17.69365698      9.67348184    -15.97957476
  H     14.73517218      6.12976220    -13.03214394
  H     12.28357927     10.97883662    -10.56266279
  O     11.55452443      7.77395521    -14.69255089
  H     18.43452914      8.76813713    -11.14806785
  H     12.83627585      9.82306480    -11.42659411
  O     16.73257709     10.79002650    -12.80094685
  H     18.05201831      9.61880092    -12.37540019
  H     17.07467116      6.03540615    -11.30133982
  O     15.07458147      7.32924138    -18.14334709
  H     16.93020197      9.39983521    -15.44796184
  H     16.86433250      6.93126452    -10.06252036
  O     13.97852549      5.94800559    -11.34135977
  H     17.43317782     10.49361509    -16.40997561
  H     12.97844906      7.47469627    -11.75390546
  O     17.58016776      7.13906599    -17.13855884
  H     10.68585144      7.48315470    -14.95598106
  H     12.14303715      8.05763381    -12.92228461
  O     13.46552995      6.38816025    -15.98902610
  H     12.19584758      7.23234364    -15.18858068
  H     19.69385334      8.83217266    -13.66167538
  O     19.52809460      6.11289191    -15.26797267
  H     16.63630871     11.61188588    -13.29309703
  H     19.24608717      9.16150960    -15.09775049
  O     16.40406031     11.97669679    -17.05482300
  H     16.21012193     10.13085548    -13.28527362
  H     18.43962638      6.10106762    -13.74585946
  O     15.46815430      9.01342014    -14.44342805
  H     15.97338915      7.19120838    -17.79496468
  H     18.11539712      7.23251147    -12.73946263
  O     13.03806563     10.71206245    -11.08173920
  H     15.05307632      6.92132129    -19.00549227
  H     17.88090777      8.79554252     -8.60956130
  O     16.53899167      6.13638191    -10.50369225
  H     14.86719808      6.02941255    -10.95086247
  H     16.83945975      9.22600395     -9.67045957
  O     12.49216984      8.25550357    -12.04520891
  H     13.60198703      5.14260670    -10.99623002
  H     14.76370432      9.20132188    -17.94219511
  O     19.93523747      8.71091304    -14.58884721
  H     17.68968651      8.05603065    -16.84869519
  H     13.93534085     10.12860575    -17.02767616
  O     17.86513184      6.33656274    -13.00756193
  H     18.18271501      6.62584222    -16.59092018
  H     14.76992373     10.49369287    -10.37935319
  O     17.53937345      8.57685335     -9.47215658
  H     13.95600685      6.70083506    -16.75822682
  H     16.11023291     10.64623195    -11.09813567
  O     14.58747683     10.12820622    -17.74446101
  H     14.12520661      6.21752425    -15.30168672
  H     16.17654194     13.87524589    -14.45936865
  O     15.72064090     10.41131095    -10.24377818
  H     20.33481764      5.64271437    -15.46016504
  H     16.10773733     12.63070167    -15.36847821
  O     15.98366938     12.94035008    -14.45759118
  H     19.78091323      7.03202836    -15.06250612
  H     12.41671672      9.34994456    -15.20387759
  O     13.05057078     10.02505008    -15.47090367
  H     15.72939841     11.33179557    -17.34004841
  H     13.01996011     10.75262837    -14.83105261
          69
 Energy    -249.07651475863332     
  O     18.03293889     10.79667916    -14.64672986
  H     17.35508057     11.48262008    -14.63865625
  H     18.12968654      7.40319530    -10.16979791
  O     15.26404890      6.68293385    -11.29928885
  H     18.21846855     10.60314243    -13.71797608
  H     12.60483454      6.12874735     -9.28913156
  O     12.03788948     10.08101317    -13.21603385
  H     15.26814761      6.30583585    -12.19009033
  H     12.89890196      7.61174126     -9.58198238
  O     13.48584485     10.83216327    -11.04313365
  H     14.37802059      6.59830985    -10.93037417
  H     14.63940103     12.21130571    -11.44571575
  O     19.39706943      7.56503779    -11.61412497
  H     12.80057436     10.17121974    -13.80455627
  H     16.09577735     12.53111024    -11.06633876
  O     12.58637982      6.64148562    -16.00265427
  H     11.54202967      9.32468511    -13.54774344
  H     14.90732787      9.84212052    -11.69581112
  O     15.43103331      5.83861066    -13.92082166
  H     13.27901072     10.33160643    -10.24773948
  H     15.45953793      8.39393306    -11.86216778
  O     14.50195792     10.19998277    -14.55719178
  H     12.85387797     10.58031919    -11.73611621
  H     18.47346262      8.51385157    -16.76056456
  O     15.95722740      9.57684829     -8.68972928
  H     20.27709235      7.20042262    -11.58282400
  H     17.92923864      9.31807746    -15.55770846
  O     13.07705405      4.38175847    -14.28511786
  H     18.96402581      7.18279300    -12.39917375
  H     11.94505729      6.22765484    -11.65522307
  O     13.31556419      9.16510567     -8.74423451
  H     12.75302297      5.79067984    -15.57873705
  H     11.28313299      6.56183645    -13.01615586
  O     17.35855878      7.37100730     -9.59304586
  H     13.45003108      7.06207497    -16.10803305
  H     18.13419760      7.23849070    -14.58837457
  O     12.74555438      6.75044608    -10.00109150
  H     15.29544501      6.55930404    -14.55281498
  H     17.28691124      6.21014284    -13.81595303
  O     15.40537144     12.74235360    -11.70551873
  H     14.71540713      5.20779827    -14.06665984
  H      9.92449687      7.85329950    -14.77040829
  O     15.54744249      9.30166938    -12.17870135
  H     14.88292687     11.07986033    -14.65802697
  H     11.39863761      7.44404614    -14.99073060
  O     17.87974691      8.46012628    -16.01636263
  H     14.91626476      9.82364852    -13.76353511
  H     18.14909501     12.19890946     -9.51717581
  O     11.66623383      5.84451570    -12.49381158
  H     16.40795882     10.35583330     -9.03119624
  H     17.79897351     11.18200595    -10.62788054
  O     18.14872658      6.64415798    -13.82795794
  H     16.50302340      8.81365820     -8.93313908
  H     14.82170282      8.70888410    -15.47324199
  O     10.77072811      7.79488327    -14.33428325
  H     12.55939765      4.84085155    -13.59838909
  H     16.05650135      7.99750549    -16.05372556
  O     17.41906251     11.74700478     -9.93293038
  H     12.76299857      3.48259708    -14.31517662
  H     15.71995216     12.72504749    -13.41879265
  O     15.12537239      7.86423798    -15.83891307
  H     14.28151517      9.29723900     -8.68809987
  H     15.73217214     13.51883876    -14.74488504
  O     15.87088734     12.64987757    -14.37850910
  H     12.94360840      9.51773213     -7.94008643
  H     18.69773335      9.25792613    -11.79699956
  O     18.17716784     10.05749824    -11.94248886
  H     16.65037485      7.00110067    -10.13942273
  H     17.25240638      9.77666852    -12.04346618
          69
 Energy    -249.07642343378146     
  O     -2.19611901      1.24772312      1.45268157
  H     -2.13891252      0.44870847      2.00309143
  H     -5.48228075      4.88888839      2.03438056
  O      1.50362879      1.33395961      3.56827620
  H     -3.13803343      1.43464409      1.37865417
  H     -3.84251887      4.23695159      7.13585037
  O     -3.34443803     -4.00697334      4.13696292
  H      1.60440351      0.65283568      2.89086042
  H     -4.33775076      3.37153572      5.95445364
  O     -4.72516970     -2.07657433      2.65975532
  H      1.40629501      0.87639995      4.41027938
  H     -1.24976365      2.17984238      4.98386890
  O     -5.00280409     -0.95238697      0.09100366
  H     -2.74444745     -4.24626311      3.42004725
  H     -2.11992709      2.53768752      6.21380867
  O     -5.00003044      1.40364127      1.61267221
  H     -4.02577634     -3.46937977      3.71116839
  H     -5.74309010      1.91682836      4.74674616
  O     -0.59612377     -0.40502922     -0.16428493
  H     -4.98609730     -1.89987974      1.74913814
  H     -5.65488939      3.31816184      4.11347937
  O      1.65291387     -0.73051824      1.61606826
  H     -3.81734369     -1.73895331      2.73496548
  H      1.35833625      0.66176478      6.92049723
  O      0.12938883     -2.53760888      2.94198864
  H     -5.59689137     -0.90085735     -0.65401575
  H      0.01808660      0.92777321      6.20454087
  O     -1.68562340     -4.34524790      1.82695740
  H     -5.02239253     -0.08079249      0.51782215
  H     -2.05149178      4.10363034      3.53797119
  O     -5.37451577      0.18484260      4.14464172
  H     -5.11497717      2.35390495      1.74190308
  H     -3.01081562      4.47988814      4.68127284
  O     -5.13190532      4.08419476      2.40675007
  H     -5.10647778      1.00197431      2.48704010
  H     -2.39890476     -0.71183655      4.00408813
  O     -3.54076513      3.70622148      6.40345728
  H     -1.11206862      0.30636146      0.23882543
  H     -1.38518241     -1.45490333      3.06639102
  O     -1.45579565      1.91407077      5.89386043
  H      0.22476823     -0.44769793      0.33904544
  H     -0.66767762     -2.58791309      6.02565922
  O     -5.68595448      2.85749559      4.96063612
  H      1.15249186     -1.42687011      2.07701017
  H      0.41226750     -1.48123993      5.90163427
  O      0.78747804      0.33597348      6.22769583
  H      2.46445778     -1.12996892      1.31224489
  H     -2.76895407     -3.43215804      7.18978375
  O     -2.83616954      4.63033349      3.74527473
  H      0.21150208     -2.60545166      3.90624743
  H     -2.78921237     -3.33044721      5.64663230
  O     -2.19117587     -0.92637211      3.08596457
  H     -0.39113191     -3.27770417      2.60672053
  H     -3.29124999     -1.97700930     -0.02405950
  O      0.19517197     -2.38619954      5.64352944
  H     -2.00184238     -3.68741363      1.18007091
  H     -1.76400404     -1.78712459     -0.09664469
  O     -2.47666818     -2.89306415      6.45969504
  H     -1.55749806     -5.15866780      1.34635076
  H     -1.29660843      2.27788374      2.61271636
  O     -2.45699448     -2.45004031      0.04639529
  H     -4.62603881      0.09765693      4.75436511
  H      0.06702550      2.37860624      3.34832562
  O     -0.83124068      2.73888704      3.32516277
  H     -5.41334418     -0.66546619      3.68798329
  H     -2.49719480      0.41719542      5.86703986
  O     -3.11180253     -0.29218638      5.63889840
  H     -4.27802010      4.31454624      2.81575594
  H     -2.86524943     -1.10816449      6.09182454
          69
 Energy    -249.07627470930339     
  O     16.60955650      9.84910640    -16.69800574
  H     16.65291541      9.22418981    -15.95725405
  H     15.34692868      5.78119485    -16.35840308
  O     15.19045537      5.12217537    -13.09442651
  H     15.80872323     10.36399037    -16.55204451
  H     18.08023339      5.10068570    -11.14337933
  O     18.27723501     13.56088413    -11.25101795
  H     16.00326949      5.25491779    -12.59423228
  H     17.52269452      6.51802409    -11.36719745
  O     19.59918940      8.48788980    -14.28005004
  H     15.45897574      5.09129800    -14.02502949
  H     17.79243991      8.06291534    -14.49938457
  O     14.37249790      6.66572067    -17.66778843
  H     18.26727699     13.01693341    -12.05754520
  H     16.61995354      7.12474540    -14.96057179
  O     16.74273942     10.29830352     -8.93597097
  H     18.60122294     14.42118578    -11.50398468
  H     13.48609902     11.48432965    -16.29874566
  O     15.15908184      8.69271304    -12.61190485
  H     19.58350997      9.23818081    -14.89159555
  H     13.79989603     10.07091653    -15.75420173
  O     18.05815436     11.75151786    -13.30591781
  H     19.61202207      8.85556797    -13.38529299
  H     16.31540630      8.33022762    -11.32581509
  O     19.27806439      5.78022225    -14.30075221
  H     13.92069606      6.30858759    -18.42752229
  H     16.95327188      8.77321267     -9.98603011
  O     13.14109803      6.87861993    -13.24118551
  H     15.22761254      7.01110317    -17.98340203
  H     13.62186042      7.81374800    -16.37783912
  O     18.49880779      5.55116641    -16.88854000
  H     16.33479371     10.40130797     -8.08012945
  H     13.19191798      7.86187284    -14.89162220
  O     15.98640316      5.47660871    -15.70213541
  H     16.34528486     10.97172920     -9.51720309
  H     19.07166515     12.21508804    -10.10419069
  O     17.71156068      5.67595836    -11.81117145
  H     14.36661805      8.15200328    -12.70611211
  H     18.52530410     11.02996116     -9.28865793
  O     16.83725019      8.00671100    -14.63591266
  H     15.74568516      8.45703025    -13.35010692
  H     18.45542910      9.05838223    -11.46874591
  O     14.14316275     10.98046827    -15.82583773
  H     17.10081219     11.62557270    -13.36607259
  H     19.41626145     10.20764168    -11.08734965
  O     17.04196939      8.14189782    -10.71140841
  H     18.41592746     10.99269078    -12.82276201
  H     15.49894892     12.02542369    -11.49185891
  O     13.30658779      8.40295561    -15.68113492
  H     18.75772705      5.67115250    -13.49785520
  H     16.57910358     12.82772043    -10.74442339
  O     19.32775074     11.37724380     -9.69800448
  H     19.59299853      6.69772633    -14.28833317
  H     16.87192846      8.42274012    -17.85983209
  O     19.15264375      9.62895666    -11.81668785
  H     12.35569634      6.53096586    -12.82789917
  H     17.52730929      7.01232328    -17.86513820
  O     15.82622767     12.23825399    -10.60869061
  H     13.83018651      6.19413496    -13.15829296
  H     15.18574428     10.43757226    -12.95710403
  O     16.85078378      7.55418057    -18.28660739
  H     19.09425737      4.98722574    -17.37517994
  H     14.86891705     11.38624874    -14.12806938
  O     15.28614382     11.35310646    -13.25943724
  H     18.84707298      5.60120458    -15.98000900
  H     18.82714334     11.26869191    -14.99309174
  O     19.12090610     10.76054708    -15.76081361
  H     16.82052663      5.33039697    -16.16755391
  H     18.31431640     10.55761699    -16.25232251
          69
 Energy    -249.07626650910834     
  O     11.39477026     10.77888933     -9.46821301
  H     12.16100109     10.92171165     -8.89821391
  H     11.12191227     12.47010732    -12.24074928
  O     12.74849170      9.42398572    -17.50726335
  H     11.33473372     11.55824176    -10.03649281
  H     13.58688303     12.63967320    -14.78044383
  O     11.06224945      8.50016904    -10.89578315
  H     13.02109877      9.27232516    -18.40831460
  H     13.04068448     13.94798775    -14.16955056
  O     13.86876478      8.84125806    -14.98748381
  H     12.51392659     10.36650480    -17.43989267
  H     17.51522835      9.88404532    -11.14087131
  O     15.93418058     12.38755288     -8.91864784
  H     11.13697928      9.30429719    -10.35013149
  H     16.96308825      9.17238173    -12.41322954
  O     11.89310293     12.00321698    -17.20679434
  H     10.40869337      7.94447974    -10.48012126
  H     15.09895784      7.97549737    -12.23025009
  O     11.45391747      9.17963476    -13.60822494
  H     13.58153601      8.93044261    -15.90481575
  H     15.17561807      8.13744233    -13.75562490
  O     15.11772533      8.86605862     -8.44479698
  H     13.06588754      8.88062920    -14.44644616
  H     13.95547445      9.39105980    -11.15124196
  O     13.91083495     11.09915423    -11.74047246
  H     15.94174681     12.86446863     -9.75634827
  H     12.94268509      8.26368248    -10.87160233
  O     13.67745122     11.27835262     -7.84245045
  H     16.54432965     11.64616789     -9.03017241
  H     17.45572783     11.28710993    -13.02443625
  O     15.62928809     13.25497014    -11.60019752
  H     12.27157045     12.59303838    -16.54315477
  H     18.12757795     12.28068151    -14.00794229
  O     11.60691037     12.73952655    -11.44674823
  H     10.95730070     11.91744400    -16.98526545
  H     11.45298775     12.37275527    -14.27761391
  O     12.88719323     13.30768921    -14.87258692
  H     11.21903889     10.11666867    -13.65711444
  H     10.06366123     11.77697546    -14.61440787
  O     17.53130335      9.89379852    -12.10409416
  H     11.28213142      8.89167739    -12.70389837
  H     14.59192690     10.46640439    -14.67161364
  O     15.71941225      7.99684432    -12.97188832
  H     14.57078883      9.59020399     -8.11755373
  H     15.67066290     11.54331291    -14.24280492
  O     13.88613627      8.45655454    -10.89850518
  H     14.69544395      8.57519430     -9.26596979
  H      9.51639704     10.42152325    -16.25341349
  O     17.31070384     12.09531292    -13.55488480
  H     14.11993369     11.14040481    -12.68443229
  H      8.36952028     11.40408714    -16.59814014
  O     10.70822681     11.87804678    -13.90381037
  H     13.07137403     11.55503049    -11.60101333
  H     16.65611632      9.51481279     -8.94150168
  O     14.73230779     11.38435405    -14.40227179
  H     13.58199530     11.62832400     -6.95971268
  H     18.17997549      9.67296981     -8.73616169
  O      9.25320606     11.35984054    -16.24441682
  H     14.44322132     11.73210082     -8.23556579
  H     14.25611060     14.29493210    -12.13504290
  O     17.44487714      9.99453297     -9.25184264
  H     16.31052174     13.02715818    -12.24499852
  H     13.51237495     15.64700723    -12.19677416
  O     13.43435219     14.72418689    -12.42642405
  H     15.08943314     12.45381951    -11.49947285
  H     10.60244896      8.77869709    -15.24270011
  O     10.28280133      8.84978429    -16.15280235
  H     12.12547273     13.51625508    -11.68725113
  H     11.07540072      8.88264315    -16.70294600
          69
 Energy    -249.07602284934353     
  O     11.21248607      8.53897521    -11.13625710
  H     10.58179644      8.67344230    -11.85561325
  H     17.89954838      7.99627112    -18.30427103
  O     13.55074241      7.98869595    -15.40234945
  H     11.83968777      9.26975629    -11.19564314
  H     15.27515297     13.30966096    -12.26485895
  O     17.60386644      8.76432525    -10.07330593
  H     13.77772471      8.25339305    -16.30739212
  H     15.81653213     12.09721785    -13.05556724
  O     17.30229105     11.07515731    -16.56501986
  H     14.27267454      8.30799115    -14.83875275
  H     16.13346093      9.77993569    -14.03897355
  O     11.99112698     10.11907053    -14.40389735
  H     17.57486068      9.04923932     -9.16397892
  H     15.58599927      8.78380163    -12.99605378
  O     17.63419707      6.18165647    -11.31927846
  H     16.69092770      8.80343361    -10.41104013
  H     11.79052050      6.88293708    -11.29761985
  O     15.15563681      8.63279908    -11.20211173
  H     17.43180115     10.20701648    -16.96391653
  H     11.55353823      5.38656908    -10.98644527
  O     14.71989614     11.79793715    -17.50129329
  H     16.46776474     11.40240254    -16.92553437
  H     20.19425751      6.38525556    -13.18192777
  O     15.10873081      5.63723013    -14.68267095
  H     12.47988699      9.39969649    -14.82576499
  H     18.77249805      6.53367876    -12.58970218
  O     17.14631470     11.29075102    -13.85432282
  H     11.11542496      9.77503782    -14.18962334
  H     11.66117424      6.27812540    -13.39089692
  O     14.51983200      8.96170869    -17.74212628
  H     16.70019669      5.98910099    -11.46849524
  H     12.10649372      7.00576114    -14.68459187
  O     17.33202455      8.41439980    -17.66188400
  H     17.66515597      6.97015843    -10.76256366
  H     19.13692476      8.75666027    -12.85688893
  O     15.01376989     12.48289216    -12.66247219
  H     14.93265868      7.71299690    -11.40919089
  H     18.51419322      9.41004008    -11.61827200
  O     15.68796245      8.92877480    -13.94411594
  H     14.39356234      9.20224936    -11.37122966
  H     16.83886218      7.79599380    -14.75345433
  O     12.08139048      5.97981706    -11.51519748
  H     14.46826000     12.46705123    -18.13223870
  H     18.17274762      7.01137990    -14.65241931
  O     19.37127626      6.85431023    -13.28849237
  H     14.28635573     12.02988969    -16.66101963
  H     12.88439745     11.64522550    -14.92498166
  O     11.33885041      6.64239919    -14.22419814
  H     14.48355482      6.23982406    -15.10024282
  H     14.02040946     12.49188930    -14.31800470
  O     18.85106686      9.60567139    -12.50188181
  H     15.98041089      5.95536261    -14.95236605
  H     14.94131258      5.81329315    -12.90313850
  O     17.41720747      7.17967426    -15.22907262
  H     17.32107823     11.29899646    -14.80788523
  H     13.90698593      5.86421218    -11.74542952
  O     13.53072271     12.33392963    -15.13255777
  H     17.83529783     10.77589319    -13.40781327
  H     13.79233081     11.19599777    -12.01400583
  O     14.83771928      6.00604198    -11.95883944
  H     15.45047251      8.71624259    -17.81679816
  H     12.77538628     10.31260644    -12.75835668
  O     13.19362781     10.44755859    -11.89585389
  H     14.50825544      9.92741906    -17.72940279
  H      8.81203099      8.59983025    -13.86247006
  O      9.71370532      8.70598931    -13.57309769
  H     17.41974064      7.90663054    -16.83753814
  H     10.20063926      7.91010354    -13.85742478
          69
 Energy    -249.07585888322814     
  O     -6.45902081     -2.86690325      6.17615797
  H     -5.57744916     -2.47854369      6.16961441
  H     -8.00418381     -2.20300982      0.73971116
  O     -9.19766388     -2.48392690      1.96312463
  H     -7.06678912     -2.17418145      6.47606830
  H     -4.87935348      0.83307652      1.32625950
  O     -7.75159414     -3.92125325      4.04821244
  H     -9.73367119     -1.72633061      2.22983247
  H     -3.56417908      1.64966854      1.25285037
  O     -6.46725598      0.64809010      0.40282948
  H     -8.87144097     -2.90909017      2.76433032
  H     -6.50340746     -1.01222521      3.64233747
  O     -5.06156437      0.91790324      5.87035877
  H     -7.31549860     -3.59660309      4.85662000
  H     -7.35426382     -0.52340964      4.87251075
  O     -6.55965214      5.23616042      1.10900137
  H     -7.97112799     -4.83529335      4.20895341
  H     -3.64271339     -1.48131317      5.09547789
  O    -10.55065286     -0.05672184      2.50509936
  H     -7.13423463      0.94438937      1.04016948
  H     -3.05573900     -1.97252486      6.43992857
  O     -8.15052593     -0.72036827      6.55639361
  H     -6.69663158     -0.26027538      0.17606113
  H     -3.20905177      3.83207041      0.94008950
  O     -3.50652344     -1.26162651      3.38580061
  H     -4.52099679      0.15197328      6.09798445
  H     -2.14593111      3.40360878     -0.10087375
  O     -5.73847771      3.21320221     -0.52100477
  H     -5.65786171      0.60426662      5.17126913
  H     -8.30154596      2.55663062      6.26233542
  O    -10.30486375      0.35947161      5.34119552
  H     -6.33456605      4.52342456      0.48435062
  H     -8.41454172      3.23990698      4.88211072
  O     -7.23527118     -2.05192805      0.15938752
  H     -6.93177798      5.94637604      0.59323136
  H     -6.21221169     -2.35523399      1.70314598
  O     -4.06478830      1.03708963      1.80665614
  H    -11.26672676      0.33562915      2.01151156
  H     -6.43223971     -3.11014070      3.03975046
  O     -6.85722614     -0.23674249      4.09368814
  H     -9.78098046      0.52855146      2.39798980
  H     -6.27342239      1.52844543      7.02511174
  O     -3.83076146     -1.57980366      6.04749509
  H     -7.83157115      0.04592152      7.04708657
  H     -6.78535265      2.10439107      8.36713519
  O     -2.98123659      3.15073398      0.28191164
  H     -9.01169405     -0.46479583      6.18782830
  H     -4.08528619      4.28807428      2.90168682
  O     -8.92297712      2.77663083      5.55808837
  H     -3.55014928     -0.44665850      2.87079536
  H     -4.76428751      5.18366308      1.85087438
  O     -5.86069667     -2.47092876      2.59429256
  H     -4.23098172     -1.81086493      3.05257777
  H     -4.51044431      2.17518662      3.15985112
  O     -7.07368033      1.74007121      7.53422912
  H     -6.04647844      2.31419286     -0.34658984
  H     -4.67658805      2.29923997      4.68889975
  O     -3.90101251      4.88659961      2.16419528
  H     -4.77875045      3.18476799     -0.42201182
  H     -8.03303561      2.27933560      2.67213542
  O     -4.71405141      2.80388222      3.86817343
  H    -10.51603322      0.17870061      4.41997834
  H     -7.77283277      0.79632785      3.02311721
  O     -8.22647808      1.37669079      2.38984469
  H     -9.93354492      1.25549614      5.36869728
  H     -7.17127072      4.38330345      2.66187839
  O     -7.29857452      3.77541084      3.40067805
  H     -7.33401796     -2.63485161     -0.58849771
  H     -6.41670409      3.44676801      3.62883894
          69
 Energy    -249.07578042165125     
  O      1.59748420      0.10407095      4.74141476
  H      0.93111687     -0.56413861      4.98278311
  H     -2.36466451      3.09866075      2.25374810
  O      0.64869868      0.46372212     -3.08063821
  H      2.27809432      0.06069465      5.40929249
  H     -0.25133768      2.75859544      3.05660652
  O     -0.33794515     -1.66530176      5.40986627
  H      0.84664341     -0.47674642     -2.97929112
  H      0.04363341      2.47832447      1.53753402
  O     -1.28071501      0.72996348     -0.93776153
  H     -0.12532877      0.62934135     -2.52878008
  H     -2.86143986      1.50279280     -0.54297116
  O      1.38471124     -2.19231509     -2.32000135
  H     -1.20943518     -1.24929813      5.45569065
  H     -4.10680607      2.25945650     -1.04930479
  O      3.15294882     -0.99606682     -0.62120011
  H     -0.46393154     -2.50537811      4.95250132
  H     -1.89307646     -0.08733897      3.46062814
  O     -2.91732139      2.43931230      5.01858795
  H     -1.26553070     -0.23597632     -0.86952082
  H     -1.28532639      0.92155984      2.42965800
  O     -3.31316182     -3.66191396      2.94109824
  H     -0.50848653      1.05513044     -0.45511041
  H     -0.21064872     -2.20702256     -1.35418706
  O      0.06287483      2.53564912      4.79860528
  H      1.80763583     -2.90238945     -2.79526982
  H     -0.60829016     -2.15986224      0.14225284
  O      2.79887159      1.58244486     -1.84207093
  H      2.04120899     -1.84443632     -1.69049660
  H      2.04959849     -0.17966071      2.90171441
  O     -4.97946891     -1.42016222      3.73861825
  H      2.95283968     -0.86837773      0.31441179
  H      1.40472449     -1.13565709      1.88517243
  O     -3.32679283      3.06268105      2.38363916
  H      3.21593976     -0.11225161     -1.00536348
  H     -2.91035704      0.63538509      5.17320480
  O     -0.64894114      2.68783177      2.17609213
  H     -3.27610897      3.13897894      5.55867561
  H     -3.58153056     -0.70933270      4.75244833
  O     -3.73319173      1.84242616     -0.27717991
  H     -3.14485206      2.65927661      4.09796756
  H      1.70863826      1.74768539     -0.34197542
  O     -1.58785213      0.01303429      2.54907826
  H     -3.93177968     -3.02859601      3.31747650
  H      1.44140583      0.90927863      0.93878442
  O     -0.94942505     -2.03912451     -0.75738023
  H     -3.34878074     -3.53170704      1.98102421
  H     -1.73398259     -3.91186282      3.54145815
  O      2.07604901     -0.44162895      1.97391737
  H      0.52471834      1.68944428      4.85988880
  H     -0.62960705     -4.90013434      3.99052767
  O     -2.76147218     -0.31608275      5.07770770
  H     -0.85234864      2.39394317      5.06436858
  H     -0.22370113     -2.85965149      2.46582792
  O      1.07711527      1.60455091      0.37192759
  H      3.29187939      2.19170380     -2.38405950
  H     -0.61452841     -1.39605729      2.11261513
  O     -0.80157016     -3.97845723      3.82048565
  H      2.06295037      1.24823653     -2.38605357
  H     -3.77917684     -2.03564091      0.52937141
  O     -0.06227283     -2.14635728      1.83777445
  H     -5.92829556     -1.46116492      3.82643687
  H     -2.63576133     -2.73141431     -0.21930373
  O     -3.44441595     -2.90640597      0.27794323
  H     -4.79422988     -1.01400008      2.87424464
  H     -4.18739769      0.36371955      0.75279793
  O     -4.07927414     -0.36435730      1.37503063
  H     -3.66377075      2.71881551      1.55177238
  H     -3.18707124     -0.25750459      1.73994946
          69
 Energy    -249.07544625534479     
  O      1.45264452     -1.06478572      5.12679383
  H      0.53566546     -1.37299568      5.24126455
  H     -5.24914953     -0.08731312      3.26277075
  O      1.73405879     -0.85746577     -2.70297592
  H      1.94090268     -1.35305877      5.89369332
  H     -1.10484639      3.42242568      1.71469398
  O     -1.17395527     -1.75856065      5.12556087
  H      0.99895716     -0.32718232     -2.36761559
  H     -1.68634515      4.82963340      1.45416777
  O     -0.27048238      0.39192905     -1.11328445
  H      1.47785270     -1.77682977     -2.55991435
  H     -2.22035249      0.47411143      3.73991656
  O      1.04548668     -3.48542697     -1.73244209
  H     -1.31117883     -2.12825445      4.24614994
  H     -2.92524611      1.56675356      4.53639439
  O      2.83942477     -2.88237054      0.21408510
  H     -1.70165113     -0.94954947      5.15972093
  H      0.85608569      1.80328976      1.64983981
  O     -3.66726065      2.95297387      3.62092343
  H      0.42278247      0.47510074     -0.44501356
  H      0.29458385      2.12401619      3.07178474
  O     -4.04069148     -3.03446369      2.34014543
  H     -0.69457794     -0.46252398     -0.95319224
  H     -1.55540216      1.77213653     -1.06393086
  O      0.29961367      1.55047829      4.74694443
  H      1.22078123     -4.33796816     -2.12145246
  H     -2.13639783      2.94386808     -0.21484396
  O      3.75988717     -0.42368317     -0.94580900
  H      1.70394588     -3.35394457     -1.02674330
  H     -1.13087276      0.94993899      1.92773236
  O     -5.74630751      1.46867675      2.32100641
  H      2.43409343     -2.61412316      1.04895908
  H     -2.54786980      0.46102946      1.45337361
  O     -4.77433807     -0.80281755      3.70549016
  H      3.30962528     -2.10686575     -0.11731193
  H     -0.48275353     -2.74765001     -1.02608206
  O     -1.91538404      3.90293896      1.47261633
  H     -4.45123789      2.56956745      3.20709319
  H     -1.14614624     -2.41946191      0.34057936
  O     -2.48509011      0.71002943      4.64385940
  H     -3.13836405      3.31865814      2.90200300
  H      0.50803897     -2.13537339      2.36550682
  O      0.16603681      2.28503953      2.12402498
  H     -4.34686529     -2.25479754      2.83760537
  H      1.57290440     -1.56473290      3.33350573
  O     -2.32998273      2.33827939     -0.94044321
  H     -4.56828260     -3.77225692      2.63445981
  H      2.55375121      0.30385654      0.27335636
  O     -1.78663041      0.24740804      2.00935737
  H      0.79110951      0.73840518      4.91863589
  H      1.65804453     -0.28914807      1.39254947
  O     -1.18804116     -2.23831733     -0.60562158
  H     -0.62532989      1.34925052      4.93201773
  H     -2.22774271     -2.78084518      2.28862508
  O      1.41392051     -1.80351220      2.41121115
  H      4.56226098     -0.10810935     -1.35172277
  H     -1.46974054     -1.43207468      2.15388403
  O      1.78645256      0.48669287      0.82905410
  H      3.10742504     -0.54235024     -1.65994260
  H     -3.07038606     -2.09667168     -0.60742268
  O     -1.34272546     -2.39199423      2.26316267
  H     -5.17701847      1.23227690      1.56564305
  H     -4.10031247     -2.38466707      0.50414604
  O     -3.98075322     -1.92173471     -0.33373170
  H     -6.58570160      1.74090254      1.96039408
  H     -4.08636392     -0.17999189      0.02155611
  O     -4.03345504      0.71327188      0.39046229
  H     -4.09636371     -0.36356625      4.22982283
  H     -3.54141594      1.28796137     -0.21440222
          69
 Energy    -249.07540969549603     
  O     13.43891932     11.83736392    -13.53358707
  H     14.28132583     12.29489682    -13.64156047
  H     13.13663806      6.70487498    -16.08866096
  O     15.20361453      6.32747133    -13.86300525
  H     13.38851443     11.23157304    -14.28720317
  H     20.18196994      5.63975175    -15.12112127
  O     18.43858450      8.34965361    -11.56138342
  H     14.44105649      6.55390090    -13.31778323
  H     19.75667580      7.00917347    -14.53249590
  O     19.19597199     10.25888805    -16.05249082
  H     15.52023559      7.17622220    -14.21256357
  H     16.16175273     11.31677058    -16.98025970
  O     11.91035796      7.75536230    -14.97574973
  H     18.18425606      8.31316081    -10.63101546
  H     16.54419219     12.04581042    -15.65876336
  O     14.68971511      8.63563646     -9.29989341
  H     18.15012416      7.51189868    -11.95298123
  H     15.19106892      9.16081229    -15.17217595
  O     13.03619833      7.45225372    -12.45679840
  H     19.88971239     10.71794930    -16.51980582
  H     16.56678843      8.49586301    -15.56363800
  O     16.81027088     10.23914067    -12.73033854
  H     18.38532529     10.78242623    -16.18116490
  H     16.88385236      5.53621929    -11.02091262
  O     15.50944950      7.87884910    -18.11169585
  H     12.23221315      7.61806429    -14.06900779
  H     16.79937195      6.32515762     -9.70106261
  O     13.71382517      6.04629655    -10.12979213
  H     10.95978138      7.68165129    -14.94080525
  H     19.62669787      8.66808941    -13.02475024
  O     17.91909775      7.83368666    -16.66965253
  H     14.45313366      9.19171276    -10.05483575
  H     19.74802489      9.27407711    -14.45616340
  O     13.94013431      6.29477206    -16.42830194
  H     14.24689483      7.79214285     -9.45065009
  H     18.26729174      5.83046399    -13.43370112
  O     19.42115647      6.17228402    -14.90408438
  H     13.12078754      6.91523937    -11.65858455
  H     16.76059865      5.96044185    -13.10743376
  O     16.90397364     11.63946769    -16.45706559
  H     13.41524831      8.31905536    -12.24582756
  H     16.39538147      8.33564847     -9.06679392
  O     15.99616724      8.75082023    -14.82884820
  H     16.56406908      9.72481248    -13.51692296
  H     17.60312760      8.22583818     -8.10622441
  O     16.39674680      5.59642420    -10.18901762
  H     17.42480963      9.68572023    -12.23370572
  H     14.52712734     10.76990531    -18.90612903
  O     20.08434630      8.58440614    -13.87118799
  H     16.40837368      7.74915079    -17.78429496
  H     15.04763317      9.52593688    -18.14354351
  O     17.64116877      5.90407313    -12.70464477
  H     14.94349082      7.27602804    -17.60763675
  H     13.76612396     10.60080981    -12.24201190
  O     17.32441524      8.05011614     -9.00081547
  H     13.29575725      5.36976579     -9.60372843
  H     15.13292496      9.94805525    -11.99573515
  O     14.77524311     10.45720821    -18.04077261
  H     14.65788822      5.81243732    -10.18475821
  H     16.47346245     11.85371430    -13.40136011
  O     14.19885905      9.88446865    -11.75665123
  H     18.37037628      7.15031384    -16.15924555
  H     16.61790839     13.39073889    -13.47050158
  O     16.18287825     12.64792741    -13.88217919
  H     18.44455355      8.64020956    -16.57709170
  H     12.94329954      9.22304186    -15.54151098
  O     13.58293449      9.94422350    -15.58858574
  H     14.44209589      6.06745688    -15.63571214
  H     13.79499583     10.13078951    -16.51250585
          69
 Energy    -249.07540896665768     
  O     14.88186888     12.49984296    -12.90076098
  H     15.80034651     12.64408103    -13.15812594
  H     18.79837917      5.87948959    -15.14912442
  O     14.48627248      6.76650089    -13.64501988
  H     14.49150829     12.01289732    -13.64100704
  H     16.61100980     11.35114377    -16.80652610
  O     18.57072148      7.34611039    -11.96180135
  H     13.95910447      7.19789604    -12.96236024
  H     17.44711506     11.79166687    -15.56919847
  O     19.18063409      9.23469808    -16.48398420
  H     15.01968577      7.47836547    -14.03429682
  H     15.25997698      9.52535213    -14.88277524
  O     15.61329054      8.72827594     -9.03036631
  H     18.48261954      7.32411812    -11.00088851
  H     16.22069297      8.45902744    -15.53697878
  O     13.13471688      8.45401852    -11.83786094
  H     17.94077068      6.69536680    -12.30543835
  H     16.23301491      5.21215889    -11.18334446
  O     17.54774026      9.77181368    -12.77267081
  H     19.90181485      9.46129765    -17.06617612
  H     16.66112772      5.87068580     -9.85871983
  O     14.59525637      8.45748965    -17.84982038
  H     18.60016692     10.01549836    -16.44925175
  H     12.18019478      9.01956810    -13.26689537
  O     13.65363664      6.71504218     -9.70302174
  H     15.46512547      9.39163469     -9.71821166
  H     10.88505287      9.59147138    -13.88227368
  O     17.03907975      7.46183116    -16.88839465
  H     14.88052517      8.10598636     -9.10852221
  H     19.52633866      7.35135461    -13.61747835
  O     12.87644256      7.38383323    -15.92658270
  H     13.15738871      7.85762789    -11.07859125
  H     19.60948314      7.99256172    -15.03621872
  O     18.12890321      5.24423688    -15.46422794
  H     13.82744747      9.11527187    -11.68819179
  H     17.19763757      5.20470104    -13.80849344
  O     17.49702078     11.35251881    -16.42739576
  H     17.00440947      9.44091951    -13.50694915
  H     15.91507144      5.82189806    -13.20222552
  O     15.91234954      8.83502456    -14.70386500
  H     18.00010619      9.00100895    -12.40962608
  H     17.11352312      7.83749569     -9.12755741
  O     15.94866022      5.36926873    -10.27372551
  H     15.43087815      7.99783141    -17.69972878
  H     18.34791011      7.23758877     -8.41355242
  O     11.77877421      9.33361297    -14.09445697
  H     13.94659661      8.04924221    -17.25791566
  H     14.58608955     11.56444710    -18.39848889
  O     19.77278396      7.18369059    -14.53620240
  H     13.11839507      6.18484567     -9.11853343
  H     14.75167653     10.15924936    -17.76767877
  O     16.77277985      5.43096872    -12.97346634
  H     14.42850289      6.17368513     -9.93855871
  H     14.96256131     11.12535560    -11.71393500
  O     17.87679883      7.24317123     -9.24233236
  H     17.29752624      6.62508472    -16.48314412
  H     16.02810641     10.02135725    -11.74003050
  O     14.85034296     11.11546317    -17.60051275
  H     17.82470876      8.02567076    -16.88354953
  H     17.69850955     11.45210165    -13.34225379
  O     15.18795933     10.26627266    -11.33033431
  H     13.39186677      6.93256261    -15.24648799
  H     18.36646848     12.84384704    -13.41269364
  O     17.63221543     12.33428169    -13.74693034
  H     12.34199329      8.01785571    -15.43513016
  H     13.15380338     10.39309004    -14.82104262
  O     13.99017140     10.84901837    -14.97618233
  H     18.60145227      4.50058536    -15.82920826
  H     14.09394869     11.02537046    -15.92039443
          69
 Energy    -249.07506802378603     
  O     -6.37352800      2.59503754     -0.23275423
  H     -5.49124661      2.26128238      0.00108992
  H     -3.94906794     -0.69358861      2.40264776
  O     -3.65272765      3.02289453     -2.98683208
  H     -6.22031509      3.36193644     -0.79695563
  H     -0.91241609      2.36580213      1.33439766
  O     -6.69943618      3.02894384      2.52566111
  H     -2.69114380      3.08829929     -2.92571637
  H     -1.17572535      1.87225641      2.77059050
  O     -3.41356246     -2.08169938      1.31772701
  H     -3.85277516      2.08808436     -2.85319292
  H     -1.44880072      3.22083162     -0.75147147
  O     -1.09732004     -0.10169623     -2.10144144
  H     -6.88010725      2.12270954      2.79588917
  H     -2.27446420      4.13493726      0.23296921
  O     -3.83403276      0.31349038     -2.08150350
  H     -6.70380353      3.01144845      1.55859952
  H      0.80321437     -1.00759097      0.38342634
  O     -5.26970868     -1.53133014     -0.58357698
  H     -3.36854289     -3.02248311      1.46703877
  H      1.99332057     -0.05309889      0.54621802
  O     -0.89986747      2.69903108     -2.39127673
  H     -4.07883838     -1.93721866      0.62098758
  H      2.58787938      2.21076362      1.75204977
  O     -1.03833444     -0.65776579      0.62814116
  H     -1.09231980     -0.28836125     -1.15054524
  H      1.12302193      1.77503115      1.53630974
  O      1.67794499     -0.41592123     -2.51925938
  H     -0.20218032     -0.27821797     -2.41512954
  H     -3.19770132      1.44895707      3.60279195
  O     -7.06795151      0.16501253      2.76640870
  H     -3.84216114      0.74515409     -1.21197986
  H     -3.14635631      2.98644300      3.57048319
  O     -4.23972019      0.14893778      2.77605209
  H     -2.91597266      0.05539644     -2.24558393
  H     -8.32379058      0.04477287     -0.54260361
  O     -0.59350823      1.74475045      2.00935328
  H     -4.81425679     -1.00558530     -1.25766421
  H     -7.20088926      1.03930863     -0.16597335
  O     -1.74558130      3.32736713      0.16110609
  H     -6.07893631     -1.05027407     -0.38280890
  H     -3.16604925      2.21822963      0.36511222
  O      1.73585034     -0.89759013      0.15340639
  H      0.05084049      2.79970797     -2.23875004
  H     -3.94115889      1.16660206      1.23646267
  O      2.01195661      1.75479781      1.14341803
  H     -1.05187646      1.74445447     -2.34636400
  H     -3.92750375      5.04608248      1.33712760
  O     -2.62569101      2.20527360      3.79201667
  H     -1.81670830     -1.14996907      0.91020050
  H     -4.25728191      5.17187958     -0.18152003
  O     -7.56304441      0.15572613      0.02247114
  H     -0.96319935      0.13727716      1.17477303
  H     -5.62689712      5.39597229     -2.32027599
  O     -3.91561319      1.60824103      0.37999688
  H      2.29056026     -0.94643363     -3.02085637
  H     -4.73345161      4.13806153     -2.21380390
  O     -3.56930305      5.31047971      0.47972030
  H      1.77915868     -0.67389307     -1.58508513
  H     -4.56360508      5.04752522      3.74297282
  O     -5.35928939      4.70258622     -1.72334272
  H     -7.72165956     -0.32115647      3.26346973
  H     -5.23546177      3.91446574      2.93727199
  O     -4.39861216      4.39166315      3.06896538
  H     -7.31143927      0.08828916      1.83022580
  H      1.87273093      2.25531799     -0.74623056
  O      1.74838750      2.36436621     -1.69650392
  H     -5.20040648      0.10914778      2.85802004
  H      1.83426358      1.47864934     -2.07101281
          69
 Energy    -249.07434744271714     
  O     15.67556866      5.30370139    -16.42256549
  H     15.99647371      6.21468591    -16.45212543
  H     19.08767439     10.87881152    -14.47838254
  O     17.17833896      6.15718961     -9.73604741
  H     14.71221588      5.36833201    -16.40917947
  H     17.29246467     11.05919643    -15.98977049
  O     13.90294091     10.62460234     -9.90395965
  H     17.26288866      5.92056720    -10.67662111
  H     16.71981886     11.30669466    -17.40531590
  O     20.08303403      9.47734511    -13.65041141
  H     17.57622383      5.44310673     -9.24395255
  H     15.91464633      9.78047493    -12.11504414
  O     16.27127437      3.82983876    -14.21096564
  H     14.61446886     10.52530364     -9.26095572
  H     16.82995247      8.92712499    -11.18893937
  O     12.69409652      8.21463307    -10.07903614
  H     14.29756930     10.99959230    -10.70363249
  H     12.06999465      5.21058672    -16.17904164
  O     14.09305319      7.26955403    -12.28204781
  H     20.89164247      9.05674597    -13.93009669
  H     13.07273961      5.25862549    -14.99951392
  O     19.29306264     10.77742534    -11.23741462
  H     19.37025062      8.82536716    -13.76869474
  H     15.86071605     10.05219379     -7.04566906
  O     14.89344213      7.34869448     -8.46448761
  H     16.53404363      2.95369103    -14.48029824
  H     15.50361760      8.92290601     -8.04520972
  O     16.23779971      8.04070956    -16.10104844
  H     16.13123360      4.34106222    -15.02794942
  H     14.54236659      4.34162786    -13.58013978
  O     17.52047167      5.54505562    -12.34592352
  H     13.05917368      9.11776233    -10.03690244
  H     13.84971472      5.56530041    -12.93924076
  O     18.44736558     11.52882807    -14.79166728
  H     11.77413922      8.27569017     -9.83793721
  H     17.98110698     13.56143544    -11.98438628
  O     16.61353766     10.76926034    -16.62513283
  H     14.92919427      7.73668055    -12.14731699
  H     18.28180278     12.04898668    -11.84820402
  O     16.30472725      8.90395290    -11.99772317
  H     13.50506815      7.54891341    -11.56903666
  H     17.29556224      9.28741752     -9.04241667
  O     12.87339968      5.62684641    -15.88032959
  H     19.66914764     10.29866360    -11.98673709
  H     17.77692325      7.93081698     -9.63270756
  O     15.89150855      9.81464855     -7.96852741
  H     18.92102535     10.11339572    -10.64255516
  H     16.00592753     11.96469392    -12.27594423
  O     13.68168380      4.75519874    -13.44161451
  H     14.11589090      7.47205006     -9.02287903
  H     14.86327215     11.33265701    -13.14547305
  O     17.71110223     12.70111791    -12.29432390
  H     15.54171825      6.84995066     -8.97702017
  H     13.29427939      7.39152529    -15.34661981
  O     17.88909009      8.88884140     -9.69394640
  H     16.41840200      8.93529987    -16.41559730
  H     13.79214571      7.88139595    -13.96915527
  O     15.20542103     11.42671641    -12.24265770
  H     15.37132903      8.07753830    -15.66906657
  H     15.09007637     10.92511420    -15.45680550
  O     13.70887295      8.13884867    -14.89872536
  H     17.76504014      6.28443859    -12.91691222
  H     14.00798973     10.00217490    -14.86625720
  O     14.39110985     10.88620866    -14.79355761
  H     17.10836388      4.89415918    -12.92618520
  H     17.42406862      7.84688977    -14.73766226
  O     17.92470980      7.85015529    -13.91181926
  H     18.16553263     12.01916589    -14.01005186
  H     17.35368416      8.27339268    -13.25050650
          69
 Energy    -249.07418096150019     
  O     17.64968940     11.27273323    -17.46218297
  H     17.20334643     10.49579308    -17.79036050
  H     19.83706307     14.08455376    -16.31167676
  O     19.11448670     18.16720363    -15.30785415
  H     17.29811535     11.43932642    -16.56922294
  H     14.18288773     14.92160635    -11.67675687
  O     20.25244414     11.45180860    -13.59234728
  H     18.37430958     17.58036292    -15.52975684
  H     15.64483178     14.54066162    -12.00655619
  O     16.11237541     17.38176677    -13.26882214
  H     18.82818248     18.68078083    -14.54361249
  H     21.79496949     16.48422331    -14.81734746
  O     15.01712113     15.19793300    -17.17197310
  H     20.32576806     11.32166517    -14.54861636
  H     20.44910580     17.17852162    -14.52462698
  O     17.03464103     13.69152153    -11.46229467
  H     20.50162820     12.36794376    -13.41499790
  H     15.98809432     12.46050477    -14.88136745
  O     14.68832751     13.61691189    -14.80671865
  H     16.38063845     17.04824273    -14.13631332
  H     17.04275897     11.58208465    -14.11109980
  O     20.32560493     11.29458382    -16.38579932
  H     15.64187597     16.65159146    -12.85161235
  H     19.97022700     17.86580677    -16.95380080
  O     22.50311243     15.89562865    -16.44432971
  H     14.35915466     15.49205896    -17.79556247
  H     21.23732369     17.08985476    -17.35389282
  O     20.43849911     14.21508114    -13.06443663
  H     15.67580009     14.68545799    -17.67624698
  H     20.57201586     17.28348903    -12.39483021
  O     16.97407097     13.86851921    -18.46101588
  H     17.32825579     12.82223585    -11.75917567
  H     19.34037699     18.09704124    -11.95491850
  O     20.54910650     14.04919883    -16.96843713
  H     17.81074003     14.15810040    -11.12929746
  H     17.72156472     20.00988221    -12.59217449
  O     14.86610007     15.02753264    -12.33353129
  H     14.68724619     14.17068188    -14.01617169
  H     17.32618359     18.54969363    -12.92345278
  O     21.17647131     16.69408527    -14.10754445
  H     14.69799049     14.20547548    -15.57120445
  H     19.53726962     15.95881746    -10.90692666
  O     16.79556065     11.93028683    -14.97553620
  H     20.59399976     12.18109352    -16.65941608
  H     19.76360200     14.98049590     -9.73162521
  O     20.42188828     17.46451586    -17.70794967
  H     19.46748220     11.16165520    -16.80550251
  H     18.73235101     11.20340159    -12.85227397
  O     20.00033084     17.46741792    -11.63835476
  H     21.88090594     15.16408226    -16.60298973
  H     17.77229512     10.32706076    -12.01044717
  O     18.07969801     19.16467790    -12.84840249
  H     23.37073959     15.57548939    -16.67620945
  H     19.08305979     14.15703403    -14.28634808
  O     19.37055707     15.05022049    -10.59775847
  H     20.77936635     15.04718167    -13.42055050
  H     17.95450579     13.37856738    -15.03170468
  O     17.82917906     11.15022679    -12.48748422
  H     20.11628059     14.40675253    -12.17495174
  H     19.61691943     16.19575590    -18.63181370
  O     18.51923035     14.16003861    -15.07122429
  H     17.75732198     14.38631916    -18.68245949
  H     19.53449305     15.51116133    -20.01335351
  O     19.30956429     15.39554067    -19.09340120
  H     17.27391009     12.99068359    -18.19603834
  H     17.56644627     15.59564891    -15.46840521
  O     17.06985998     16.39530016    -15.70162540
  H     20.17434619     14.39048943    -17.79007732
  H     16.33462400     16.11600042    -16.25820042
          69
 Energy    -249.07368163001948     
  O     15.97367609     10.45783276    -14.68341145
  H     16.08192477     10.28264539    -15.63621194
  H     19.43961959      5.44117391    -15.77880136
  O     14.07994354      4.43013107    -16.48263769
  H     15.87134429     11.40156222    -14.58426607
  H     19.14549206      7.33644547    -16.76978454
  O     17.92032680      6.52658852    -11.88275328
  H     13.84790649      5.35444741    -16.64943896
  H     17.64297650      7.59499125    -16.51177097
  O     16.81372486      6.51585564    -19.02285402
  H     14.07116933      4.33266507    -15.52191917
  H     15.51378517      6.94226302    -15.92317521
  O     13.80794868      6.07209536    -10.27307927
  H     18.77592475      6.77860639    -12.25012725
  H     16.30350535      7.29769585    -14.62354477
  O     14.23653729      4.48354008    -13.66173098
  H     17.27995391      7.17187613    -12.22207389
  H     13.23173976      8.43323461    -14.05358398
  O     16.10229449      8.20039434    -13.01489861
  H     16.66355677      5.61478489    -18.70992996
  H     14.02605967      9.59244985    -14.70033210
  O     17.79381572      4.52632836    -15.73109339
  H     17.52715455      6.88310860    -18.48931737
  H     16.27089558      3.88900334    -10.16287458
  O     13.38615269      3.37558107    -11.19764465
  H     14.72224760      6.01109134     -9.97193307
  H     16.44436500      3.27573910    -11.55788619
  O     18.87251365      9.48309140    -14.67584416
  H     13.54325942      5.16774916    -10.48596516
  H     13.53723315      7.85650037    -16.14360350
  O     16.25472768      3.90224524    -17.99537334
  H     15.18797141      4.39474475    -13.51008567
  H     14.08130102      7.62018534    -17.58900047
  O     20.10775997      6.13986942    -15.82398112
  H     13.80508446      4.04182234    -12.91946395
  H     21.01037812      7.83334544    -12.96107249
  O     18.40696940      7.90969765    -17.02530513
  H     16.04280741      9.04973103    -13.46719034
  H     19.71888975      8.26905958    -13.68885126
  O     16.37581941      6.88319410    -15.49033163
  H     15.20215828      7.86803615    -12.87551904
  H     17.35850867      4.96004328    -12.71172697
  O     13.25346212      9.03307271    -14.81443348
  H     17.41438009      4.12425111    -16.52102563
  H     17.35893431      4.10205957    -14.00607399
  O     16.04167639      3.11522741    -10.69276960
  H     17.27957989      5.33853580    -15.59280974
  H     17.13985109      6.01835711    -10.33688482
  O     13.88726535      7.18734472    -16.74909391
  H     12.85794918      2.64106101    -10.89777565
  H     17.04880208      5.99482737     -8.79601443
  O     20.15620007      7.51938917    -13.24876127
  H     14.31151480      3.17043354    -10.97177079
  H     15.53943246      7.69066771    -19.16893029
  O     16.98349921      4.16738462    -13.11829362
  H     18.82656463      9.05907867    -15.54307528
  H     14.51146745      8.52401552    -19.97616650
  O     16.60775916      5.70054361     -9.58940200
  H     18.02993988      9.93002649    -14.56466044
  H     13.76527874      6.24285422    -13.24992829
  O     14.85328861      8.37974456    -19.09830415
  H     15.44556763      4.04012791    -17.46870460
  H     13.57349036      6.88764398    -11.86430699
  O     13.61996369      7.09189707    -12.81002098
  H     16.10725439      3.12583335    -18.52844936
  H     15.80150851      9.54126846    -17.93238939
  O     16.42399855      9.91599104    -17.29707978
  H     20.21462571      6.46690349    -14.92370150
  H     17.22326627      9.38039630    -17.37886270
          69
 Ord_Energy   -249.073517    
 O   -1.58100283      -3.14907026     -0.914980471    
 H   -2.00777316      -2.30585098      -1.12547016    
 H  -0.730629981      -3.12002945      -1.37720454    
 O   -4.48799419       3.64641953       1.29725718    
 H   -3.96665001       4.20954180      0.711162329    
 H   -4.93765593       3.01587510      0.720633805    
 O   -2.06135297      0.117831871       1.84145069    
 H   -2.89910054     -0.164350554       1.44740570    
 H   -2.25437713      0.909356594       2.35881329    
 O   -2.71333146     -0.743937194      -1.69575095    
 H   -2.96313310     -0.939809799      -2.60702705    
 H   -2.09403706      -6.48629991E-03  -1.75049019    
 O   -5.31408024       1.72854602     -0.623502314    
 H   -5.02783537      0.926755905     -0.160870239    
 H   -4.57169867       2.04631376      -1.15961397    
 O   -2.63834286       4.91958046     -0.482478261    
 H   -1.92639673       4.49496651       2.99318507E-02
 H   -2.38695216       5.83167601     -0.599070370    
 O   -3.27672648       2.79711390      -2.21487093    
 H   -3.10132504       3.61523318      -1.73414373    
 H   -2.42667484       2.33662748      -2.28099585    
 O  -0.457263380      -2.20289397       1.51595771    
 H  -0.917221427      -2.65243816      0.794499755    
 H   -1.03407192      -1.48056364       1.79652989    
 O   -2.66263270       2.60288954       3.02370143    
 H   -3.37846398       2.95810080       2.46692300    
 H   -2.85485101       2.86486053       3.92002487    
 O   -5.76695824      -2.87811112     -0.145760149    
 H   -6.26893425      -2.58743310     -0.917068124    
 H   -5.14596891      -3.53969479     -0.475753278    
 O   -6.96065760      0.845466137      -2.61005950    
 H   -7.65030527       1.48496020      -2.77131701    
 H   -6.44404316       1.17931354      -1.85636520    
 O   -4.59537983      -3.04459095      -3.65844011    
 H   -5.43562841      -2.67594457      -3.35992885    
 H   -4.31700182      -3.65462041      -2.96483564    
 O   -3.83187151      -4.61075306      -1.37813890    
 H   -2.98182893      -4.18317032      -1.17703426    
 H   -3.69603586      -5.54936647      -1.27752376    
 O   -4.52636623       1.18089926      -4.19531679    
 H   -5.39417648       1.03568912      -3.80429816    
 H   -4.09861660       1.84163535      -3.63429284    
 O    6.02775887E-02   1.06413376      0.262748778    
 H  -0.678672969      0.712630630      0.781825840    
 H   0.747838914      0.387062877      0.262193084    
 O   -2.93187356      -1.04775095      -4.47394562    
 H   -3.49712181     -0.261056036      -4.51612091    
 H   -3.50147128      -1.82231891      -4.35090685    
 O   0.763553441      -2.48113513      -2.16834641    
 H    1.19106638      -1.97977078      -1.46299493    
 H   0.497198850      -1.84657311      -2.84466553    
 O   -4.34609938     -0.608112037      0.452374816    
 H   -4.89892435      -1.40084755      0.426989526    
 H   -3.78941464     -0.650278151     -0.342645466    
 O  -0.238431767     -0.619047284      -4.14888191    
 H   -1.17345500     -0.823791981      -4.32630539    
 H   0.189849257     -0.551395595      -4.99883270    
 O   -7.00595665      -1.93768728      -2.57279205    
 H   -7.86917973      -2.22059798      -2.86722398    
 H   -7.01180840     -0.968397200      -2.59066725    
 O  -0.948683023       1.35065579      -2.26296949    
 H  -0.461147994       1.28842378      -1.42864668    
 H  -0.543365717      0.765322506      -2.91476369    
 O  -0.828309774       3.62248302       1.07236493    
 H   -1.34000909       3.33815241       1.84036374    
 H  -0.361062258       2.83519912      0.765628397    
 O    1.71459734      -1.19485271      0.242585704    
 H    2.53560328      -1.42555869      0.669079304    
 H    1.00165188      -1.61430836      0.759374499    
          69
 Energy    -249.07288155658338     
  O      2.46411484      1.27923567     -2.30443496
  H      2.44375882      0.82930924     -1.44152330
  H     -0.55963223      2.03413316     -0.64066142
  O     -1.95416056     -2.15572553      0.90831438
  H      3.32290560      1.10600312     -2.68260527
  H      2.45409259      0.79152128      0.91267654
  O     -1.62952494      2.05702370      2.28253620
  H     -2.49081119     -1.41725943      1.23042191
  H      1.76374096     -0.55596924      0.57274595
  O      0.09917984     -3.33279027      3.87834457
  H     -2.14796390     -2.90919105      1.47829252
  H      1.82121106      4.21294490      0.47182582
  O     -3.23088003      3.43110671      0.20501987
  H     -1.30339566      2.94772121      2.48186774
  H      2.63072625      5.06324443      1.47937996
  O     -1.92186884      2.20649517     -3.99854376
  H     -1.20553862      1.76690697      1.45600140
  H     -0.35120921     -0.22443843     -2.92996964
  O     -0.65100964      4.57855179      2.49399185
  H      0.50113223     -2.85580567      3.14031262
  H      0.88447500      0.67940272     -3.17740083
  O     -3.19503859     -1.65243269      4.21318852
  H     -0.09670361     -2.66246367      4.54483611
  H     -5.88436795      1.16288548     -0.34072363
  O      2.55833703      1.79845767      2.35635835
  H     -2.79531526      3.13293988      1.00994006
  H     -4.50498878      0.92136332     -1.00027752
  O     -3.46362250     -0.00748537      1.92412606
  H     -3.90366638      2.76093656      0.02866128
  H      0.58777539     -0.83089787      2.35818583
  O     -3.59428251      0.51672479     -2.39930924
  H     -1.19390081      1.56100139     -3.93167854
  H     -0.19276637     -1.75314646      1.38127756
  O     -0.44998813      1.28698841     -0.03694098
  H     -1.98953212      2.45329532     -4.91660495
  H      1.93035484      3.01008938     -1.63823916
  O      2.15916248      0.23163257      0.17683047
  H      0.25087818      4.58266969      2.13848620
  H      0.63848827      3.83316465     -1.42122956
  O      1.91455023      4.43624397      1.41539047
  H     -1.07134259      5.36920478      2.16155481
  H     -1.91825543      3.58022949     -1.04924373
  O      0.03937351      0.40426244     -3.55220540
  H     -3.07058184     -2.52547592      3.82003415
  H     -1.45219222      3.14578586     -2.47445074
  O     -4.94651106      1.17677857     -0.16966274
  H     -3.43391331     -1.06309960      3.48596510
  H     -2.51842791     -5.00797454      3.01027955
  O      0.68916620     -1.55807503      1.72624252
  H      2.32718908      2.71291300      2.15582061
  H     -1.45028451     -3.92323549      3.29400742
  O      1.57607042      3.78373634     -1.18558762
  H      1.86557233      1.44621077      2.93086517
  H     -0.39629997      1.07142461      3.26412851
  O     -1.14484592      3.48465106     -1.62416091
  H     -4.06059071      0.33002089      1.24459465
  H     -0.01513233      0.02066349      4.34170695
  O     -2.34282497     -4.07446200      2.93375560
  H     -2.87903937      0.72620230      2.15973203
  H     -1.58517357     -1.55568667     -0.81193341
  O      0.32978268      0.52741772      3.59529674
  H     -2.89350801     -0.09690182     -2.13845830
  H     -1.07851822     -0.11799523     -0.97916607
  O     -1.36055476     -0.89832003     -1.48153673
  H     -3.17894894      1.13771478     -3.00810731
  H     -0.98790766     -1.09591278      6.44117092
  O     -0.85439505     -1.14978142      5.49873366
  H      0.48519004      1.05569952      0.02073605
  H     -1.73092490     -1.28722004      5.09631164
          69
 Energy    -249.07278017632615     
  O     16.69116795     11.93471269    -10.08253174
  H     17.00588589     11.01288578    -10.07694934
  H     13.83362655      7.99107051    -13.82104237
  O     11.79677207      7.13158205    -11.48715100
  H     17.24811707     12.41821174     -9.47860887
  H     16.90841575      5.04933885    -13.64584115
  O     17.44285643      9.13882263    -15.40132919
  H     12.34128504      7.66771557    -10.89221061
  H     18.13871078      5.90858205    -13.98674914
  O     17.30121356      8.37864362    -12.72937242
  H     12.33684936      6.37727323    -11.74642207
  H     14.27935882      8.93115244    -11.73506038
  O     16.86838148     11.86015865    -15.14752636
  H     16.60720274      8.81153000    -15.76764729
  H     15.55934673      8.86056368    -12.62121983
  O     13.58115106      8.74839995    -10.07343195
  H     17.36218419     10.09947345    -15.34444074
  H     14.83387448     11.64528029     -9.85477376
  O     15.02136130      8.27234860    -16.47278612
  H     17.42457731      8.73143905    -13.62010269
  H     13.53881260     12.01226142    -10.59210113
  O     14.33781577     10.92734478    -16.19394801
  H     17.34550903      7.41692360    -12.80741303
  H     13.53835185      6.04099498    -13.39530286
  O     15.58344952      4.06906028    -14.54830472
  H     17.30157610     12.62140354    -15.52511044
  H     14.25356986      4.70069343    -13.31019493
  O     10.90960570      8.63682609    -13.57449352
  H     16.57201326     12.12382267    -14.25779932
  H     13.52925751     10.26588808    -13.37294840
  O     15.85134663      5.67800391    -10.97145584
  H     13.61257647      9.70327299     -9.90694511
  H     12.03463421     10.16334846    -13.74395386
  O     13.32463301      7.47169023    -14.46615370
  H     14.28648631      8.33131061     -9.56360993
  H     15.82083595      6.74838169     -9.62768671
  O     17.58062740      5.62250246    -13.25261167
  H     14.39645693      7.89412963    -15.83680379
  H     15.85944162      6.94957329     -8.09295015
  O     14.61396084      9.04825783    -12.63442161
  H     14.75193270      9.19732024    -16.57225738
  H     16.94864904      8.71188369     -9.62973189
  O     13.88578883     11.46203367     -9.88048758
  H     15.15125873     11.34246050    -15.88291915
  H     17.53099064      9.02568072    -11.02546016
  O     13.72544914      5.31337694    -12.78376239
  H     13.72820405     10.94519811    -15.44549863
  H     17.17631601      5.99047510    -16.39472454
  O     12.79265669     10.75958835    -13.76873538
  H     15.72581964      4.63601411    -15.32738352
  H     15.79061641      6.57716905    -16.71710778
  O     15.77525166      7.41700293     -8.91944056
  H     15.66427068      3.16748603    -14.84908062
  H     15.04227092     12.85361305    -12.59450242
  O     17.46498702      9.36185534    -10.12131222
  H     11.15111714      8.11997196    -12.78390769
  H     16.30759055     12.39415666    -11.85334102
  O     16.26238716      5.74461970    -16.58088566
  H      9.97916906      8.49248661    -13.72232793
  H     18.43135960      7.64316096    -15.57496199
  O     15.97110527     12.63033900    -12.72665366
  H     15.05398875      5.57379343    -11.50833666
  H     19.66284419      6.80100553    -15.97587511
  O     18.78775365      6.73920736    -15.60129485
  H     16.58957171      5.57134462    -11.58096482
  H     12.93907985     12.23326571    -12.81652538
  O     13.17851988     12.97270463    -12.23171174
  H     12.41608409      7.78605784    -14.39173560
  H     12.55769840     13.67507799    -12.40587973
          69
 Energy    -249.07257607146329     
  O     13.92849678      9.91079806    -16.13767543
  H     13.65869946      9.61619765    -15.24961552
  H     17.08038721      4.60866108    -16.04369646
  O     16.81334736      5.81038006    -13.21098917
  H     13.30134184     10.58202717    -16.39542590
  H     21.43734753      7.01961510    -13.39934302
  O     20.35923319     10.24474191    -12.59312409
  H     16.66110747      6.59780000    -13.75636798
  H     20.03177264      7.18076683    -12.78342249
  O     18.94507177     10.49988085    -16.74067971
  H     16.82631217      5.06688653    -13.82452819
  H     15.69136757     10.02924814    -17.12244214
  O     13.97403356      5.01569383    -15.29523745
  H     20.58440823      9.37633015    -12.94482648
  H     17.21708335     10.17354677    -17.39525498
  O     16.20014531      9.28036613     -8.98744066
  H     19.71621113     10.07105179    -11.89145656
  H     17.36249803      7.92023443    -15.28580117
  O     14.71244976      6.34842247    -11.50262075
  H     19.55342565     11.06251765    -17.21161858
  H     15.83762372      7.68949650    -15.54770947
  O     16.38601638     10.06889400    -13.12691342
  H     18.79711232     10.91124943    -15.86853713
  H     12.83174704      7.98526105    -13.66049355
  O     17.80374927      5.73256372    -17.17436203
  H     14.82722860      4.56904490    -15.30080208
  H     13.42849673      9.16053377    -12.87449201
  O     16.65013177      6.63650676     -9.46690134
  H     14.06911859      5.76720465    -15.89955738
  H     13.04595581      5.66505292    -13.99847775
  O     19.08855922      7.84150668    -15.85287925
  H     16.15466080      9.50049903     -8.06120301
  H     11.69762277      5.71418288    -13.24040919
  O     16.67829343      4.02981808    -15.37142118
  H     16.35395415      8.31964410     -9.04265117
  H     19.24286141     11.15954882    -13.71808903
  O     20.61223810      7.48905735    -13.49874981
  H     13.89326363      6.18963272    -11.98759898
  H     17.70763685     11.15967053    -13.89572144
  O     16.38038470      9.88372298    -17.78003345
  H     15.42965286      6.08822240    -12.09962902
  H     18.53048529      7.72344858    -11.35769468
  O     16.48468351      7.94112737    -14.87949152
  H     15.66497065      9.87638016    -12.51420846
  H     18.10331839      6.41463056    -12.11170528
  O     13.08118264      8.91401513    -13.74007961
  H     16.37550434      9.35871261    -13.78521925
  H     17.57813290      9.54230152    -10.26769846
  O     12.55982924      6.11840332    -13.28576523
  H     18.38768919      6.38500389    -16.76394995
  H     17.57326974      9.70908570    -11.80642811
  O     18.52993295     11.46960140    -14.29582538
  H     17.32197591      6.21366385    -17.85723448
  H     16.38602886      8.34456761    -18.58497505
  O     18.78017265      6.80356703    -11.53717073
  H     15.91473259      6.40342648    -10.05103550
  H     16.23330573      7.49574918    -19.87144546
  O     18.13330532      9.47212751    -11.05220911
  H     17.45287998      6.49898725     -9.98114780
  H     14.92767675      9.36138534    -10.44730873
  O     16.30041837      7.43394813    -18.92264115
  H     19.17155900      8.74385149    -16.18851395
  H     14.57469111      8.17899517    -11.36473899
  O     14.50267428      9.14212456    -11.28431905
  H     19.65854642      7.75041620    -15.07867226
  H     14.14028853      8.16177187    -16.70289623
  O     14.46891719      7.25951624    -16.81343893
  H     16.96930415      3.14294245    -15.56554903
  H     14.99429765      7.23855311    -17.62336056
          69
 Ord_Energy   -249.072510    
 O   -4.39408588       4.59765494E-02   1.03354752    
 H   -4.33459663     -0.926365376       1.02894652    
 H   -5.20293236      0.270162046      0.579705894    
 O    1.20341480      -3.11438513     -0.655341446    
 H    1.62458301      -3.54769444      -1.39327133    
 H    1.59301353      -3.49617672      0.151681513    
 O    3.71009469      -1.53720796       2.35801506    
 H    4.61373854      -1.29090047       2.17931032    
 H    3.16501355      -1.12111831       1.66650534    
 O  -0.917405546       1.70527589       7.21093035    
 H  -0.398273259       1.10898554       6.64499760    
 H  -0.299246281       2.32044768       7.59781933    
 O  -0.832257211      0.413323969       3.06863689    
 H   -1.74675822      0.673016906       3.24640131    
 H  -0.852553844     -0.532441676       2.85193157    
 O   -3.36736345      -3.43869901       3.64930558    
 H   -2.85640478      -4.00578499       4.23985624    
 H   -3.75030303      -2.74383116       4.20455408    
 O    2.12997317     -0.586034000      0.370825887    
 H    1.74074602      -1.34073079      -8.69152620E-02
 H    1.45736766      0.103206627      0.409905046    
 O   -1.09550333      -2.24463511       2.51269221    
 H   -1.90118849      -2.60732388       2.90417528    
 H   -1.17656255      -2.36023235       1.55585706    
 O   0.637689948      -3.89615107       3.88221335    
 H   0.109040551      -3.27931404       3.35134983    
 H    1.30802002E-02  -4.31558561       4.48229790    
 O   -1.50235569      -2.57208037     -0.195512444    
 H   -1.63768446      -1.64884520     -0.463830620    
 H  -0.612961590      -2.82889533     -0.467444450    
 O   0.325827211      -5.60201295E-02   5.52772045    
 H    1.10738218     -0.604782939       5.36179209    
 H   -2.69222409E-02  0.194592208       4.66271019    
 O   -4.95161724      0.343359560       7.35792923    
 H   -5.77836847      0.674708962       7.69672346    
 H   -4.50297022       1.09119201       6.92210197    
 O    2.27807140      -1.78195298       4.80063725    
 H    1.78094578      -2.58547330       4.59721708    
 H    2.83410859      -1.62116349       4.02837276    
 O   -4.07521057      -2.65530181       1.00017786    
 H   -3.95431948      -3.08542323       1.85571718    
 H   -3.26309562      -2.80918884      0.498081416    
 O   -3.50360632      0.821655869       3.57042122    
 H   -3.87485123      0.634378314       2.69833493    
 H   -3.69186139       5.33802398E-02   4.12938690    
 O   -1.57040334      -4.54168558       5.58207655    
 H   -1.50634825      -3.66168761       5.99331379    
 H   -1.66970861      -5.17036390       6.29257917    
 O   -1.47303331      -1.96724498       6.51748896    
 H   -1.77310598      -1.54812813       7.33830500    
 H  -0.794761837      -1.39091074       6.14191675    
 O   -3.92457747      -1.30927312       5.32837343    
 H   -4.43186474     -0.860805511       6.01620531    
 H   -3.06051350      -1.51170182       5.71642542    
 O   -1.99472332       9.05623287E-02 -0.593900144    
 H   -1.29634142      0.637844622     -0.214531183    
 H   -2.78255582      0.229408816      -5.47033101E-02
 O   -3.48665190       2.20950198       6.03893471    
 H   -3.47267056       1.91448677       5.11867952    
 H   -2.58357763       2.13428020       6.37266064    
 O    2.35400677      -3.96255016       1.65470099    
 H    1.80017567      -4.14096451       2.42577577    
 H    2.93546033      -3.23780084       1.91769862    
 O   -2.41892314     -0.368472397       8.51979733    
 H   -1.90582991      0.397446483       8.22986317    
 H   -3.33684254     -0.163786650       8.30271530    
 O   0.143433526       1.42803478      0.736553192    
 H  -0.158616573       1.14137089       1.61563170    
 H   0.350161344       2.35689259      0.802875400    
          69
 Energy    -249.07250533975690     
  O      1.48412436      1.36063087     -1.46141813
  H      2.04925251      0.61639514     -1.22276484
  H      1.08434861      3.19194980     -4.19377410
  O      8.00591766      3.62610999     -4.95222915
  H      1.73002799      1.56878911     -2.37575694
  H      6.43187251      1.01532492     -3.19099018
  O      2.35078546      1.96504859     -3.99978535
  H      7.78558572      2.92327549     -4.32463085
  H      7.10152024      1.98059149     -2.14210487
  O      1.87331342      4.64535155     -6.45015854
  H      7.28358724      3.63978746     -5.59373865
  H      7.14980534      5.56752513     -2.11130522
  O      7.83082459      6.06840238     -3.77761639
  H      2.54900730      1.27925502     -4.64611383
  H      5.79656029      5.35812357     -1.39449180
  O      2.85387072      7.12412827     -5.30366877
  H      3.17923407      2.44973261     -3.86023010
  H      2.04198770      6.57672293     -3.73669380
  O      4.00144948      5.15246092     -1.75012887
  H      1.20474061      4.41263650     -5.79202427
  H      1.21761139      5.31326823     -3.41016443
  O     -0.72524390      3.18292436     -1.76012333
  H      2.23585772      5.49084610     -6.16271969
  H      4.05868725      2.35329847      0.34143297
  O      0.57397741      5.46987519     -0.51171340
  H      7.96317621      5.19717245     -4.19325446
  H      5.55479099      2.02457406      0.08760235
  O      7.20773397      2.72479976     -0.41875329
  H      8.63827718      6.55853384     -3.90934883
  H      5.19318378      3.70549066     -5.36320641
  O      3.45362500      0.30795195     -5.93332719
  H      2.73806665      7.95385612     -5.75924219
  H      4.88418706      3.44021257     -6.84932485
  O      0.40925458      3.88819983     -4.18400058
  H      3.81236617      6.95036762     -5.28080521
  H      6.23071732      6.50477419     -4.75389672
  O      6.96143371      1.82009023     -3.08292991
  H      3.26750829      5.57959001     -2.20849365
  H      5.50701073      5.66118686     -5.81446514
  O      6.75024399      5.23108218     -1.29972045
  H      3.60133777      4.55270106     -1.10445757
  H      3.15055863      2.65760916     -8.48630876
  O      1.66661326      6.07065598     -3.00500804
  H     -0.42837888      3.92604056     -1.22165862
  H      2.76678140      3.32373945     -7.14723221
  O      4.69331589      1.62984100      0.26978021
  H     -0.13151577      2.45026492     -1.54945935
  H      5.47281041      2.81399307     -3.42680607
  O      5.51305668      3.87346102     -6.26551030
  H      0.19493810      6.21724985     -0.05548419
  H      4.53987090      4.01060603     -3.04375631
  O      5.46847970      6.50531353     -5.34307842
  H      0.92668795      5.80701978     -1.35143946
  H      1.88487863      4.17742069      0.01497893
  O      3.29663772      2.60846035     -7.54478374
  H      7.08189036      3.64972263     -0.69923791
  H      2.17727157      2.75353086     -0.50916861
  O      4.69460370      3.31881469     -3.69883794
  H      7.96772525      2.71251592      0.15684066
  H      4.54310109     -0.31175089     -2.76275367
  O      2.57182325      3.50190235     -0.03626052
  H      3.20916102     -0.44730349     -6.46361041
  H      4.60598715     -0.06550705     -4.29407118
  O      5.14590063     -0.19167020     -3.50752053
  H      3.45633078      1.07407493     -6.52934815
  H      3.71025663     -1.25063144     -0.55644272
  O      3.61901192     -0.45446515     -1.07371080
  H     -0.18097964      3.66553210     -3.45097532
  H      4.05895399      0.25577657     -0.57067009
          69
 Energy    -249.07222023110177     
  O      1.05908686     -0.41291243      2.77424445
  H      1.35919153      0.48189899      2.97459969
  H     -2.40638961      0.13810865      6.72645667
  O     -3.23435403      0.58304852     -3.13778156
  H      1.36924787     -0.63816260      1.88338964
  H     -0.36379797      2.77966938      0.76264966
  O     -0.29739622     -1.89060473      4.74254942
  H     -2.33021894      0.68533247     -2.79595242
  H      0.92079510      2.74575032      1.62697764
  O     -4.37108290      0.38461943     -0.54509206
  H     -3.28737721      1.10321200     -3.93560641
  H     -1.59081094      1.52903522     -0.47186466
  O     -2.86375175     -2.27612324     -2.73374938
  H      0.29902641     -1.44035587      4.12883023
  H     -3.01777028      1.43142010      0.07662835
  O     -0.56386096     -2.02589399     -1.21249927
  H     -0.78939015     -1.20133479      5.20354626
  H     -1.69820048      0.46883729      1.40657861
  O     -2.85736303      2.81145857      2.91999719
  H     -4.28305598     -0.57156638     -0.41151231
  H     -0.67153607     -0.25855111      2.33448924
  O     -4.29993664     -2.75618865      3.79871084
  H     -4.18442640      0.53606473     -1.47968146
  H     -4.92786527     -2.59935171      0.35943899
  O      1.56816180      2.30571085      3.30792977
  H     -3.43827201     -2.43701829     -1.97238848
  H     -3.38280518     -2.62183095      0.26095443
  O     -0.77681421      0.66782430     -1.86771420
  H     -3.08851837     -1.39158792     -3.04326288
  H      1.86339697     -0.09389364     -0.36450853
  O     -3.70474470      0.08431587      3.72836197
  H     -0.89155979     -2.40446582     -0.38499591
  H      1.05672497     -1.40406467     -0.37143071
  O     -1.97852057      0.16049155      5.87341676
  H     -1.24308266     -2.22810134     -1.87292122
  H     -1.44397234      2.70970549      4.08670906
  O      0.58968717      2.89528161      0.73119326
  H     -3.34676700      2.04021710      3.22741131
  H     -1.05797808      1.70684612      5.19384624
  O     -2.14981829      1.82089433      0.26307466
  H     -2.69769727      2.65714095      1.98248926
  H      1.43441401      2.12890568     -0.57824040
  O     -1.59132096     -0.25401517      2.03546518
  H     -4.08375039     -1.82392919      3.91467111
  H      2.50774104      2.09643634     -1.69624549
  O     -4.18800423     -2.38122685     -0.21995003
  H     -3.46003881     -3.23147426      3.81344095
  H     -1.39794663     -4.77534392      4.07310237
  O      1.69379883     -0.89492407      0.14492509
  H      2.27335111      2.74796810      3.77213190
  H     -1.17550908     -3.24470422      4.11678273
  O     -0.72182173      2.44564729      4.67496920
  H      0.76640563      2.39553011      3.85651326
  H     -1.73929948     -3.37260847      1.92937042
  O      1.79188282      1.59767263     -1.31300747
  H      0.11940639      1.02521836     -1.85641449
  H     -1.75557249     -1.90411813      1.45565344
  O     -1.71780498     -3.95010628      3.71916121
  H     -0.70785331     -0.26391129     -1.60903018
  H     -6.87624449     -3.28914906      1.97956463
  O     -1.81153896     -2.82115328      1.14297784
  H     -4.49621965      0.13702785      3.17017596
  H     -5.50261875     -2.83296137      2.53028370
  O     -6.12468793     -2.73552392      1.78676823
  H     -2.94372267     -0.06941455      3.14383981
  H     -5.42581191      0.35661429      1.05631478
  O     -5.74537759      0.10622044      1.93241207
  H     -2.68592969      0.15668434      5.20755278
  H     -6.04543377     -0.80821773      1.85344888
          69
 Energy    -249.07201903568836     
  O     15.39480677      9.94480211     -9.42977544
  H     16.06249463     10.64077873     -9.38761568
  H      9.18132526      6.83646422    -14.89191663
  O     18.08178973     11.21507351    -13.83084299
  H     15.73350750      9.27613450    -10.04194348
  H     11.33850576     10.51576761    -10.54218590
  O     11.86539817     11.84846420    -14.54760093
  H     18.25074994     10.68461848    -13.03104405
  H     10.62333176      9.28624225     -9.97461497
  O     10.54184633      9.70890581    -13.32083157
  H     18.92723566     11.36570919    -14.24482669
  H     12.73143883      7.24773025    -11.46871968
  O     14.13793632     12.12524521    -13.04667997
  H     12.29015438     11.39714976    -15.28652414
  H     13.42212705      6.17353852    -10.57450655
  O     15.58686347     10.28731179    -14.68161207
  H     11.29863793     11.18372106    -14.13113393
  H     10.58566978      7.20296744     -8.48946237
  O     17.38343440     11.88288904     -9.72534997
  H     10.15315503      8.89795466    -13.66908556
  H     11.59459148      7.20009198     -9.65903708
  O     16.40461012      7.91809872    -11.10817438
  H     10.34516848      9.78527927    -12.37372690
  H     17.15811755     12.54398301    -12.74581756
  O     11.65383781      5.45047082    -13.43905089
  H     13.29546882     12.20795862    -13.51807738
  H     15.70230394     12.87209432    -12.36782907
  O     18.40601690      9.86748788    -11.50100963
  H     14.64380303     11.46628346    -13.53961412
  H     13.70068383     10.72861135    -17.27048488
  O     12.97760224      8.76550790    -12.39010680
  H     16.47813594     10.61075700    -14.49981855
  H     14.24347537     10.35708238    -15.87352983
  O      9.96489128      7.26740048    -14.56103204
  H     15.53584350      9.38194582    -14.34274443
  H     14.66265281      6.66257905     -8.92491742
  O     10.50426624     10.02646573    -10.58012708
  H     17.08177580     12.35140678    -10.52489266
  H     15.31780080      5.26358615     -9.05463019
  O     12.58059094      6.42722740    -10.97286685
  H     17.79363429     12.53316449     -9.16210334
  H     14.20889995      5.21018030    -15.83511887
  O     11.21598633      7.74970471     -8.95336025
  H     16.05613710      7.17743259    -10.59742104
  H     13.38974954      6.50092113    -15.58333732
  O     16.61825589     12.98533251    -12.07921750
  H     16.05558118      7.82475757    -12.00603577
  H     12.62656675      8.65988842    -16.25069366
  O     13.44887051     10.34727158    -16.43234451
  H     12.46346881      5.44312406    -13.96407034
  H     11.48014478      7.74860173    -15.71637660
  O     15.00743110      6.00890239     -9.56155230
  H     11.92393263      5.64083994    -12.53126720
  H     14.39539210      8.76612481     -8.36595778
  O     13.94065852      5.81980170    -15.15305027
  H     17.83651227      9.10216106    -11.34740280
  H     13.01174497      8.06854221     -8.22763825
  O     12.34111783      7.74372814    -16.14975657
  H     18.19428314     10.50343251    -10.80631888
  H     14.37372224      8.14843463    -13.19411410
  O     13.95207208      7.97225862     -8.03627573
  H     12.17307892      9.00963249    -12.86507694
  H     14.90712737      7.03293581    -14.12832186
  O     15.18368576      7.78326448    -13.58974791
  H     13.12182944      9.47714724    -11.75241535
  H     13.50312394     11.48553799    -11.46739866
  O     13.17042488     10.96750286    -10.72028540
  H     10.50415289      6.57854660    -14.13366276
  H     13.93174040     10.70828614    -10.18469856
          69
 Energy    -249.07180161101184     
  O     -2.06234393     -2.11965885     -1.25513069
  H     -1.48443052     -2.44667002     -0.55399650
  H      3.02572666      0.29140964      0.03052405
  O      2.73444618     -2.77108575     -0.37583078
  H     -1.44969095     -1.69596684     -1.87593216
  H     -0.85776834      0.79408806      0.73102492
  O      0.02224515     -3.99593813     -4.60026516
  H      2.95846735     -1.99409324      0.15029019
  H     -1.55875062      2.10347939      1.16193745
  O      0.18858037     -0.51507255      1.20836677
  H      2.70988446     -2.46309037     -1.29480169
  H     -0.37020855     -1.10840165     -4.42379706
  O     -3.23034274     -1.43092182     -5.62875170
  H     -0.04770939     -3.08772672     -4.92761339
  H     -1.35625876     -1.29593541     -5.60471065
  O     -0.41588148     -4.97507416     -1.97650363
  H      0.95269011     -4.24093477     -4.66399591
  H     -0.36872600      1.81137120     -1.11100803
  O      3.47407942      0.41314953     -4.12944854
  H      0.04100180     -1.44200003      0.98924229
  H     -0.16585176      2.17159930     -2.62744082
  O     -2.82021378     -3.97009847     -4.74546758
  H      1.14315429     -0.38023624      1.15417082
  H      0.83091156     -1.32268662     -2.71466055
  O      2.79115597     -4.46678395     -4.27967723
  H     -3.16789849     -2.34537840     -5.30133056
  H      0.05893482     -0.00782658     -2.38673080
  O      2.91661959      1.21640103     -1.42536562
  H     -3.81266970     -1.45339067     -6.38387874
  H     -0.16400613     -3.87010984     -0.47504271
  O      2.52607130     -1.95703003     -3.01316418
  H     -0.25270058     -4.58208584     -2.84621848
  H      0.98367342     -3.04165899      0.09536763
  O      3.00929818     -0.24689468      0.84285843
  H     -1.37324908     -5.07245748     -1.91875734
  H     -1.20178985      3.44866279     -4.58520641
  O     -1.38126362      1.54934654      0.40668821
  H      2.66502296      0.66284534     -4.61198071
  H     -1.64286812      2.01026944     -4.21961737
  O     -0.42176649     -1.33392282     -5.36760041
  H      4.21028734      0.67716944     -4.67422245
  H     -2.78668757      0.86073898     -0.70523647
  O      0.23975888      1.75053102     -1.85870911
  H     -3.08106299     -4.22438771     -3.85188081
  H     -3.05862161     -0.54719189     -1.23331952
  O     -0.04699219     -0.91917700     -2.68756121
  H     -1.87146806     -4.14302023     -4.80046254
  H     -3.16152860      0.74931391     -3.08685646
  O      0.03704266     -3.21187873      0.20441126
  H      3.46182635     -4.95712854     -4.74635208
  H     -3.13026503      0.12705169     -4.51278752
  O     -0.87557935      2.61147892     -4.26757968
  H      2.72967019     -4.84973672     -3.38515393
  H     -2.90684453     -3.59796605     -1.74051654
  O     -3.34034636      0.37268370     -1.32594051
  H      1.99883799      1.50318458     -1.54184676
  H     -3.98085211     -4.67225378     -1.44441665
  O     -2.93776826      0.92674288     -4.01249388
  H      3.23316190      1.00456565     -2.30979556
  H      0.52432671      1.61389382     -5.09354663
  O     -3.22080777     -4.48549524     -1.98899521
  H      2.94773938     -1.19747245     -3.43582687
  H      0.67445516      0.16919269     -5.59892970
  O      1.17093045      0.98086976     -5.42817120
  H      2.67167012     -2.73455598     -3.56547501
  H      2.62762641     -4.57093644     -1.11419268
  O      2.39854995     -5.28271611     -1.72540413
  H      3.63748319      0.14305361      1.44453224
  H      1.43588206     -5.36603285     -1.69335838
          69
 Energy    -249.07175658032870     
  O     17.30553938      7.60503436    -16.12890512
  H     16.44288870      7.53000903    -15.68959468
  H     16.85490707     10.36300117    -17.78384084
  O     14.63426340     10.47222900    -11.39259861
  H     17.54987744      6.72313212    -16.40065521
  H     14.70484828     10.65943218    -17.16859173
  O     18.13175063     15.70289337    -14.42451537
  H     13.99685684     10.67228550    -12.09204211
  H     14.37734862     10.77500904    -18.67742969
  O     14.96680596      7.61427744    -14.67316570
  H     15.18568561     11.26368060    -11.31588139
  H     18.36531930     14.39141088    -13.08669092
  O     12.96770116      8.81967151     -9.98449207
  H     18.61410955     16.52450793    -14.46416977
  H     18.77020964     12.90749882    -12.92167976
  O     14.22022041      6.53300974    -11.19399965
  H     18.37470576     15.19818734    -15.22151906
  H     18.21562019      8.33322027    -14.54436063
  O     16.36731429     11.74090746    -14.35834321
  H     14.13977610      7.17778156    -14.43465919
  H     17.76323455      8.54771445    -13.09028444
  O     12.87355242     11.31012108    -13.41966388
  H     15.40319572      7.84996518    -13.83931017
  H     11.86629145      6.04526189    -13.83525751
  O     16.11370682      8.25124121    -12.24508888
  H     13.61465041      9.44286365    -10.35827401
  H     12.19126514      7.44792699    -13.26973324
  O     19.09194670     11.39108671    -14.02845691
  H     12.81764962      9.08768703     -9.08171480
  H     14.21984592     14.50653265    -13.67208522
  O     14.41941472     10.20975674    -15.47356415
  H     13.75626516      7.18884310    -10.65739816
  H     13.06722287     14.69937625    -12.66268308
  O     17.72327037     10.05800934    -17.49872097
  H     13.66030560      6.39109948    -11.96649085
  H     19.10928462     13.38633393    -16.70084743
  O     15.04376509     10.97311030    -18.02501003
  H     17.31634386     11.56006360    -14.33015215
  H     17.67594629     13.93148515    -16.81012758
  O     18.39006816     13.66333572    -12.45359977
  H     16.14331978     12.11679478    -13.49953551
  H     15.22497445     13.43008680    -12.05437242
  O     18.47685096      8.74269140    -13.71267696
  H     13.29889118     10.99028312    -14.22773732
  H     16.78406720     13.21849415    -11.88643913
  O     12.58808881      6.62612038    -13.61080957
  H     13.06262258     12.25376268    -13.34493529
  H     16.13286632     12.79044301    -15.83494739
  O     13.66421710     14.04553526    -13.01789379
  H     15.62183187      7.54387662    -11.80288420
  H     15.59738733     12.63514055    -17.27600862
  O     18.58925915     14.19526147    -16.63098038
  H     15.70984130      9.07986010    -11.95471722
  H     11.92258169      8.89597073    -11.59321434
  O     15.90893640     12.82304992    -11.74917518
  H     19.46927558     11.47921973    -14.91205013
  H     11.88534400      9.79022253    -12.85319968
  O     15.94430985     13.28015679    -16.65133790
  H     18.99453798     10.44312306    -13.84631146
  H     16.23050138     15.50425908    -14.55927784
  O     11.63515775      8.92103839    -12.51488703
  H     14.53228870      9.27771830    -15.24770540
  H     15.40555437     14.67663259    -15.55540018
  O     15.32793137     15.23627550    -14.77054026
  H     15.15905853     10.69246530    -15.06771957
  H     20.58257547     11.34920714    -17.22861387
  O     19.80618859     11.62387946    -16.74823360
  H     17.58444848      9.20659445    -17.06522751
  H     19.07132049     11.06474050    -17.05866971
          69
 Ord_Energy   -249.071198    
 O    4.06757879       3.63798356     -0.367145687    
 H    3.91116691       3.81812382      0.567179501    
 H    4.22576427       2.68538189     -0.423777282    
 O    4.90028620     -0.815804780       1.66522682    
 H    4.13167667      -1.38283622       1.47164476    
 H    5.63637257      -1.39832342       1.83093584    
 O   -1.43545723       2.85345221      -3.58249879    
 H   -1.81246364       2.52215338      -2.75889421    
 H   -1.46028304       3.81465769      -3.50101113    
 O    2.07593846       4.00772142      -2.17444825    
 H    1.84231675       3.14161301      -2.53408337    
 H    2.83058095       3.91435552      -1.57462609    
 O   -1.47622120      -1.29286623       1.07116461    
 H   -2.03289294     -0.552898228       1.34339583    
 H   -1.04784954      -1.00485146      0.256979287    
 O    3.98533583      0.856748044     -0.378719151    
 H    4.48368740      0.304866642      0.235726044    
 H    3.11678076      0.984635174       3.18184495E-02
 O   0.395363331      -2.46100068       2.64620090    
 H  -0.325427353      -2.08837914       2.10792017    
 H    2.77555306E-02  -3.19526911       3.13053823    
 O    2.71423697      -2.28826547       1.00467050    
 H    1.94121909      -2.42780876       1.56486022    
 H    2.40536690      -2.31680393       9.16878209E-02
 O   -1.35996270       5.67227316      -2.94314528    
 H   -1.94283128       6.39089298      -3.17218947    
 H  -0.479967594       5.90167522      -3.29167295    
 O   -2.87737799       1.13480580       1.55952239    
 H   -3.80957341       1.32542622       1.62940872    
 H   -2.57553935       1.52239394      0.721197724    
 O    4.45906594E-02 -0.123212837      -1.07533824    
 H   0.530625999     -0.912050962      -1.34912157    
 H   0.565761805      0.304354399     -0.373016506    
 O    3.41878748       3.87839103       2.40828300    
 H    3.58766723       2.97103977       2.72041345    
 H    3.85272193       4.46224785       3.02507782    
 O    3.17568731     -0.205839917      -2.82130218    
 H    2.57944465      0.460778177      -3.18292141    
 H    3.58123803      0.192907855      -2.03687429    
 O    1.47574210       1.12266016      0.832440674    
 H    1.18845713       2.01562667       1.06044853    
 H    1.50344837      0.638589144       1.66862381    
 O    1.76602685      -2.21722484      -1.71270216    
 H    1.70300710      -2.97994232      -2.28128076    
 H    2.33979368      -1.57181561      -2.16555262    
 O  -0.790320039       1.84136295       3.41642499    
 H   -1.55183983       1.61312425       2.87155437    
 H  -0.345874429       2.56698370       2.95502710    
 O    1.31868732       9.40920115E-02   3.43529367    
 H   0.537914455      0.659725964       3.54874325    
 H    1.01344967     -0.813218772       3.32839894    
 O    1.20299315       6.07456446      -3.74957442    
 H    1.84387243       6.33800554      -4.40411425    
 H    1.62583923       5.37555552      -3.22259378    
 O   0.682097793       3.61615348       1.81314337    
 H   0.376765966       4.07467127       1.01932454    
 H    1.59224439       3.87781644       2.00551581    
 O    1.02042902       1.62478626      -3.15413594    
 H   0.722302020      0.998647034      -2.48341846    
 H   0.216448113       2.05128598      -3.48607159    
 O  -0.222799644       4.38114262     -0.691822708    
 H   0.620657742       4.23572969      -1.14711452    
 H  -0.743443191       4.93003416      -1.28961813    
 O   -1.77990949       2.02300358     -0.809517860    
 H   -1.21870935       2.80774021     -0.727374911    
 H   -1.20075834       1.26716793     -0.977234840    
 O    3.81070995       1.32166791       3.26238847    
 H    4.29961300      0.644338369       2.78145337    
 H    2.96967316      0.906035483       3.50104094    
          69
 Energy    -249.07113453612305     
  O     13.52880982      9.02033375    -11.35641420
  H     14.09992042      9.20321779    -10.59900854
  H     12.34819959      3.84320309     -9.56245690
  O     17.54800694      6.10624690    -11.61053271
  H     12.63708492      8.87202473    -11.00758597
  H     13.52203734      7.36286189    -12.13263927
  O     15.15353985      4.70595168    -11.39412783
  H     17.49071875      6.96625841    -11.16907983
  H     12.51723134      6.21558668    -12.44482840
  O     17.54540797      9.83694958    -13.14193295
  H     17.59993652      6.30635813    -12.55649294
  H     17.62299411      9.17998759    -11.41628792
  O     18.99009591      5.04955469     -9.53856681
  H     14.52926584      5.25135010    -11.89485386
  H     16.80409590      8.98687077    -10.09544098
  O     14.89790303      9.78562783    -13.66605326
  H     16.03308746      5.08601875    -11.53085781
  H     17.60962621      8.04683659    -13.90140145
  O     15.28124715      8.71104054     -6.43136888
  H     17.95327193     10.61881250    -13.50401963
  H     16.55971002      7.09510653    -14.50068985
  O     17.00711612      5.32563058     -7.53419618
  H     16.59097813      9.90524760    -13.32649945
  H     13.28976746      6.25041334     -4.79749199
  O     15.25566161      9.10628752     -9.17447223
  H     18.53186206      5.34252194    -10.34458319
  H     13.92842442      5.57534604     -6.03086809
  O     14.99725685      6.40492134     -9.19464772
  H     19.64192905      4.40860562     -9.81036599
  H     14.23856103      2.10522922     -9.64260246
  O     12.40310776      6.69103756     -8.21167838
  H     14.35137589      9.64595480    -12.87948569
  H     14.48832138      3.53143040    -10.17515954
  O     11.58360761      4.42608055     -9.62945068
  H     14.76579903      9.01118171    -14.22541133
  H     10.88267133      7.40236446    -10.84841642
  O     13.42429270      6.51514877    -12.59139615
  H     14.70704387      7.99062149     -6.14657549
  H     11.49604759      7.73984108     -9.47902609
  O     17.59290715      8.70207982    -10.57821982
  H     16.18507492      8.39829416     -6.30036912
  H     18.52112651      7.81049591     -5.51150485
  O     17.45368452      7.12341172    -14.13737072
  H     17.70306870      5.12785864     -8.17288522
  H     18.46902457      7.78939131     -7.05711028
  O     13.59855325      6.42248705     -5.68337771
  H     17.31820366      6.06503575     -6.99494814
  H     14.34177379      3.72943521     -7.62446475
  O     14.06206997      3.02623149     -9.46387067
  H     15.21809365      9.24244445     -8.21884758
  H     15.53777772      4.39678290     -6.93440711
  O     11.16421908      8.13966512    -10.29558864
  H     15.16948280      8.14326440     -9.27008846
  H     10.03543046      5.37497269    -12.23038431
  O     17.94398975      7.63785779     -6.25076091
  H     15.64168789      6.05020058     -8.56878061
  H     11.06871792      5.17981891    -11.09400731
  O     14.62194767      4.11825382     -6.78872488
  H     15.02179779      5.84133530     -9.97546779
  H     19.40390091      6.86190319     -8.88960825
  O     10.85755101      5.71030365    -11.88425523
  H     12.56533769      6.70242678     -7.26219960
  H     18.79945301      8.21877900     -9.28613449
  O     19.30492710      7.77299730     -8.59108948
  H     13.28326852      6.60668624     -8.60781424
  H     14.20522548      6.88585081    -14.15525488
  O     14.69764051      7.20693876    -14.92892056
  H     11.76055733      5.16402221     -9.02868820
  H     14.21948794      6.91472626    -15.70084101
          69
 Energy    -249.07108995485612     
  O     13.50782572      8.48270240    -11.32330700
  H     13.89163629      8.71653152    -10.46999301
  H     16.01885890      5.90098984    -15.41274318
  O     13.61046056     10.81418565    -16.76518851
  H     13.41230873      9.29376085    -11.84383797
  H     18.91168483      3.28981566    -11.54524438
  O     16.18064000     11.06996105    -13.06383529
  H     13.25304867     11.50241770    -16.19117376
  H     18.54309637      4.55805976    -12.35138982
  O     14.10768616      4.56221522    -13.38052472
  H     13.35918768      9.97277406    -16.36013363
  H     20.26994438      8.32140233    -14.57579716
  O     16.09635570      6.29587131     -8.61631025
  H     15.24490514     10.83057242    -13.10417657
  H     18.78346576      8.73548938    -14.62918709
  O     15.69574456     13.14885741    -14.88516506
  H     16.46724433     10.94712124    -12.14852408
  H     12.50037247     13.61798089    -14.74454842
  O     15.82638437      7.33206590    -12.31588664
  H     14.78543705      4.57073982    -14.06515705
  H     13.93917695     13.04816276    -14.80098179
  O     13.45141667     10.47906804    -13.24681808
  H     14.58133123      4.48460360    -12.54259310
  H     14.11643923      8.18262201    -15.27489810
  O     18.33493700      8.26114374    -11.62684960
  H     17.02177817      6.32852535     -8.92256026
  H     12.73970444      7.88094171    -14.65171384
  O     16.94632551     10.41208837    -10.51009599
  H     16.09405322      5.80162396     -7.80018808
  H     16.39143983     11.62670655    -18.02933398
  O     18.54642309      5.33798229    -13.88700383
  H     15.98154977     12.57465357    -14.16010351
  H     15.29830086     11.13947012    -17.05009517
  O     16.18290479      4.94169195    -15.41248474
  H     15.98495255     12.70638813    -15.69190979
  H     12.58269761      7.21500124    -12.52022018
  O     18.45846336      4.12591694    -11.48186947
  H     15.01842496      7.75911377    -12.00096123
  H     12.87557020      5.94461729    -13.35171161
  O     19.40278213      8.08866185    -14.25223723
  H     15.80175372      6.41945575    -12.00187912
  H     16.65496178      4.47302672    -11.19527086
  O     12.99649099     12.80472124    -14.76969296
  H     13.34089015      9.80383188    -13.93322261
  H     15.72200457      5.22835790    -10.21443415
  O     13.21116660      8.51643285    -15.21205502
  H     13.15832283     11.31215396    -13.63462791
  H     18.62607982      7.05011739    -10.28180451
  O     16.23926340     11.38354823    -17.12021178
  H     18.84805865      8.25239059    -12.44146763
  H     18.68013517      5.51476719    -10.20889534
  O     12.33735519      6.74911793    -13.32782496
  H     17.44452197      7.95822059    -11.86807883
  H     15.80426909      7.48686609    -14.07888698
  O     15.75569894      4.81083781    -11.08278359
  H     17.57593675      9.73591621    -10.79876004
  H     16.40623652      8.36481804    -15.20660125
  O     18.57684258      6.30575905     -9.66499480
  H     16.30990682      9.95427306     -9.95045753
  H     15.38231880      7.96845123     -8.83195828
  O     15.83207435      7.60787008    -15.04191051
  H     18.81899346      6.24356569    -14.07167950
  H     14.77751111      9.18588380     -8.10008365
  O     15.02386059      8.86022415     -8.96322196
  H     17.78912853      5.14835392    -14.45541376
  H     17.17720591     10.35314803    -15.91006644
  O     17.48250917      9.84392805    -15.14885496
  H     16.00053303      4.63135608    -16.29612119
  H     17.09279610     10.25952723    -14.36311186
          69
 Energy    -249.07097078636480     
  O      3.13593268      5.11357517     20.48342905
  H      3.25821183      4.20568322     20.74670197
  H      1.22682957     10.98249538     20.94764188
  O      4.41024490     10.90788030     18.35416561
  H      3.80496366      5.30184458     19.80005311
  H      2.38353228     12.21227064     16.66789772
  O      0.54848025      6.79365682     16.72578964
  H      3.97865777     10.09243371     18.65921091
  H      1.87519049     10.74723897     16.59969685
  O      1.34580756     13.89586103     21.46157351
  H      3.83419142     11.25990586     17.66633641
  H      0.14485938      8.35966103     21.76378980
  O      6.86476037      7.87461553     19.03536602
  H      0.54980971      6.51415447     17.66185846
  H     -0.39498709      9.07634163     20.51860041
  O      0.67577372      6.14221735     19.31592674
  H     -0.10068975      6.25836310     16.27925816
  H      0.12249122     10.40195695     18.85115676
  O     -0.31052517     13.58221923     19.33750492
  H      1.48621315     12.97722464     21.73102555
  H     -0.32637521     11.72037540     19.53665185
  O      5.60342536      8.97554481     21.37910471
  H      2.18846764     14.18265573     21.08745939
  H      1.27435263     13.58584345     18.24503829
  O      3.01044178      8.68130552     19.02831858
  H      6.71225574      8.40952941     18.23711598
  H      2.76953034     13.80082649     18.53071302
  O      4.91948841      5.83420114     18.60132933
  H      7.80204317      7.69802282     19.06886402
  H      3.60841060     11.42754288     21.25938524
  O      3.26713063      7.62648216     21.66491383
  H      0.31990397      6.82450886     19.90560131
  H      4.53505754     11.44753007     20.00966936
  O      1.84608343     11.13276202     21.67599207
  H      1.44042696      5.75355953     19.75185531
  H      1.58771176      9.24479583     18.10624558
  O      2.55343433     11.34958953     16.25971757
  H     -1.03087947     14.20618652     19.31522700
  H      0.58276303      8.66151766     17.09958249
  O     -0.27858166      8.20279551     20.91190576
  H      0.20543481     13.77465371     20.14148447
  H      1.42730908      8.52183399     24.08164078
  O     -0.12305786     10.79182220     19.70186970
  H      5.40614434      9.91570966     21.29385663
  H      2.08152194      8.34518987     22.68779233
  O      2.14878167     13.54408929     17.83921427
  H      6.07031854      8.69987302     20.58056061
  H      5.77572020     10.10049163     17.45341256
  O      4.50157695     11.65380139     20.95831080
  H      2.99791274      8.30817495     19.91616623
  H      5.70880440      9.30883941     16.15588828
  O      0.88246090      9.49209921     17.48562840
  H      3.23581466      7.98486612     18.39803775
  H      4.56679148     14.84172447     20.17567610
  O      1.37859850      8.81289959     23.17555700
  H      5.61489831      6.47870178     18.78020327
  H      4.17230227     13.38147848     20.48019274
  O      6.27505239      9.46542751     16.91817657
  H      4.46406849      6.13531284     17.80267997
  H      3.54324861     10.08742179     15.42526580
  O      3.84251984     14.22279896     20.12504273
  H      3.30446048      6.70596996     21.37805706
  H      4.03354055      9.41170497     14.12904899
  O      4.03144817      9.32187695     15.07909447
  H      4.15574378      8.01585169     21.64021017
  H      3.58210769      7.80327274     16.09553217
  O      3.35219638      7.08321618     16.69589454
  H      1.68298414     10.43175396     22.31824458
  H      2.40707582      6.91177057     16.59065990
          69
 Energy    -249.07093611220620     
  O     14.81197380      6.86170849    -14.01476522
  H     14.28396532      6.90322492    -13.20669918
  H     18.08793219     10.72568536    -15.77344275
  O     18.44144355      8.50704279    -11.71150745
  H     15.71433551      6.60949895    -13.77575948
  H     15.28345931      8.61678009    -14.18361726
  O     19.64157998      9.70764261    -15.94766143
  H     17.75272186      9.18720778    -11.70353830
  H     14.60466317      9.97259967    -14.50860211
  O     11.32762184      8.68307308    -15.68987479
  H     18.42472466      8.08900450    -10.84186754
  H     11.91641174     11.89624517    -12.29002351
  O     15.39137321      7.84443887     -8.84711035
  H     19.86195989      9.82753902    -15.00622174
  H     12.64886268     11.07882226    -13.37387289
  O     13.32370071      7.20094779    -11.70252310
  H     20.45778054      9.78248174    -16.43409872
  H     17.12562030      5.48015921    -11.90209787
  O     16.51348949     10.50246318    -11.87874371
  H     10.45920754      8.62580118    -16.07913102
  H     17.40471505      5.77414272    -10.41349653
  O     15.66686455      8.43778001    -17.76616809
  H     11.21996235      8.52401133    -14.73483746
  H     11.44260467      9.37857776    -12.70274067
  O     14.42325745      5.36792441     -9.92501467
  H     14.95885113      7.01352291     -9.08293072
  H     11.83019315      7.89989083    -12.54701394
  O     17.77760280      7.55907223    -15.97439264
  H     14.91987023      8.53938004     -9.32180645
  H     19.53954221     11.01117420    -13.13757946
  O     13.63914980      7.21612675    -16.48785680
  H     13.65747049      8.03404577    -11.34005997
  H     19.61227401      9.52956979    -12.72154005
  O     17.30524143     11.19762226    -15.46123700
  H     13.58171163      6.50066263    -11.09043831
  H     17.85786406      7.20795304    -12.89027742
  O     15.42017349      9.57205289    -14.18274037
  H     17.04008765     11.26752034    -12.13735946
  H     17.65175691      6.77085263    -14.36531878
  O     12.36848902     11.06965939    -12.44358651
  H     16.09902148     10.16501871    -12.69100700
  H     18.46966438      7.14556256     -8.44237815
  O     16.89929783      5.20262655    -11.00491808
  H     15.73938411      8.09191166    -18.65243949
  H     17.09896427      7.50511204     -9.06485739
  O     11.20858344      8.48966728    -12.99522919
  H     14.91631665      7.97517625    -17.35047792
  H     15.79203797     11.41324867    -16.67353670
  O     20.01311358     10.18819016    -13.30591479
  H     14.16058904      4.53253179     -9.54922797
  H     15.16031977     10.22829366    -17.40121967
  O     17.48778065      6.50872027    -13.44638631
  H     15.28920229      5.22801902    -10.35004824
  H     15.03340345     10.00919407    -10.98729447
  O     18.00586357      7.21679222     -9.27214106
  H     17.07843005      7.84593490    -16.57296781
  H     13.51687251     10.20238108    -11.16899504
  O     14.96924006     11.12210352    -17.08492778
  H     18.46803720      8.23111148    -16.02578688
  H     18.26204448     13.35580340    -13.21917440
  O     14.17183642      9.67912012    -10.69144686
  H     12.80386313      7.65126216    -16.28425987
  H     17.83696848     12.09629069    -14.01116591
  O     18.15421056     12.41125901    -13.14667571
  H     14.02202983      6.95554426    -15.63691501
  H     13.64592604     11.04459991    -15.86845378
  O     13.08269015     10.80960352    -15.11499526
  H     16.70338698     10.53070971    -15.09536203
  H     12.46568186     10.12919125    -15.41613129
          69
 Energy    -249.07087560183334     
  O     19.82951315     10.86614748    -12.17763071
  H     19.51639212     11.75562451    -11.95694625
  H     19.62192226     14.58631928    -15.29260339
  O     14.85328877     15.29211396    -12.78318469
  H     20.39684443     10.97048045    -12.94920823
  H     14.25586399     10.43773596    -13.68226308
  O     20.55201722     14.23591254    -13.79630173
  H     14.40517236     16.09527771    -12.52948333
  H     14.64480260     11.06546341    -12.29975116
  O     16.44952533     11.46566882    -19.31143037
  H     14.19881337     14.73880363    -13.24629971
  H     17.94789983     13.65763407    -11.34630747
  O     19.94218548     11.99790401    -16.72079203
  H     19.92147792     14.07931679    -13.07949283
  H     18.06809154     12.91755292    -12.67393254
  O     15.60101812     10.92844060    -10.72898282
  H     21.01013554     13.39737248    -13.92277657
  H     14.87329684     13.73475947    -17.55801610
  O     16.86150637      8.45738028    -13.96325864
  H     16.03817326     11.07080332    -18.53204543
  H     14.90250100     12.45672823    -16.68191513
  O     21.45462956     11.54550527    -14.44796756
  H     16.07088310     12.35045983    -19.38764117
  H     18.15764720      8.62873883    -10.83346951
  O     19.13821041     11.86260276    -19.39224257
  H     19.78914738     11.87979054    -17.66636111
  H     18.54454224      9.85365912    -11.68964387
  O     13.26402304     13.62399391    -14.21175090
  H     19.60239916     12.87644251    -16.49060645
  H     15.31598443     14.81320241    -19.85076882
  O     17.93855826     10.44700784    -15.57246338
  H     15.31505562     10.66648728     -9.85639626
  H     16.56379539     14.41920756    -19.02447916
  O     19.02557509     14.54135236    -16.05472936
  H     16.38350889     10.39376228    -10.93664911
  H     15.72482869     14.30413568    -11.35490835
  O     14.34324851     11.26719502    -13.19518024
  H     17.16392290      8.68267870    -13.07650510
  H     15.94246941     12.91756558    -10.70648264
  O     18.60066907     13.33336685    -11.97855376
  H     17.37329161      9.01430409    -14.56810023
  H     15.98366185     15.10534433    -14.28340478
  O     14.66434471     13.39443376    -16.67863753
  H     20.98986718     11.64036965    -15.29516197
  H     15.79485340     14.37804652    -15.65334633
  O     17.79064935      9.31587668    -11.38432852
  H     22.35352513     11.30308255    -14.65796246
  H     13.81768124      8.16616786    -14.86862081
  O     15.62471096     14.21055920    -19.17981485
  H     19.48956869     11.52300434    -20.21081783
  H     15.22943356      8.68017752    -14.48543350
  O     16.21519088     13.84067943    -10.66389552
  H     18.18990312     11.64050103    -19.38069689
  H     16.75842815     13.14306161    -14.31852381
  O     16.45219814     14.76501747    -15.05598421
  H     13.55892662     13.58854747    -15.13068347
  H     15.99683271     11.95955249    -13.65761847
  O     14.34392446      8.95649801    -14.78663562
  H     13.50153840     12.76787563    -13.82717669
  H     18.60594077     14.69323391    -17.86210441
  O     16.87589005     12.28700128    -13.88504616
  H     18.67807632     10.86327966    -16.02814272
  H     18.69212094     13.73269176    -19.06528604
  O     18.28210048     14.55128837    -18.76206868
  H     17.63661831     11.08838330    -14.90827986
  H     16.35836349     10.61063030    -16.43955913
  O     15.45427886     10.69160132    -16.77934327
  H     18.13518047     14.70979968    -15.71697877
  H     14.92427391     10.08400519    -16.25270991
          69
 Energy    -249.07023417105921     
  O     11.82384970     12.85737507    -11.96847102
  H     11.71744409     11.89667202    -11.84162103
  H     18.39564698     13.78976248    -16.08007568
  O     20.62577988      8.42862007    -10.85021270
  H     10.96881832     13.25154895    -11.81999226
  H     14.22968516      9.58360165    -15.40906111
  O     17.48476588     11.35388958    -11.58646299
  H     20.64539272      8.54654128    -11.81546335
  H     15.54666763      8.82289484    -15.09919685
  O     12.64482404      7.97695373    -13.15202585
  H     21.53393860      8.33373921    -10.57810064
  H     15.04923540      9.87895681    -13.33936584
  O     17.20640930      7.22435228    -12.52726515
  H     17.32402350     12.24773364    -11.26308906
  H     14.63861559     11.34035180    -13.07054766
  O     14.68628451      6.75871064    -11.48094189
  H     16.65770318     11.06484876    -12.00427442
  H     13.62774184     11.73066074    -15.47158131
  O     13.71373801     12.65196191    -14.00167723
  H     13.32597086      8.21910385    -13.80089013
  H     12.90874262     11.35100296    -16.78998431
  O     17.29657093      9.13347947    -15.53686274
  H     12.13942009      7.26735600    -13.54314835
  H     16.54146127      8.38968811     -9.50911736
  O     17.98994590      8.91950708    -10.35034486
  H     17.54243129      7.78839850    -11.82194347
  H     15.84500240      7.70428991     -8.31088789
  O     16.43494765     11.43301379    -16.89989477
  H     16.31694379      6.96045545    -12.25688053
  H     20.00588916      8.09364505    -14.01118420
  O     18.69351882      6.87500426    -14.71590519
  H     13.93786704      7.20677516    -11.88915060
  H     20.02243811      9.61408370    -13.76504976
  O     17.88973969     13.23655050    -15.49039482
  H     14.86239935      7.20302212    -10.64270684
  H     16.64124850     13.91235738    -14.23163694
  O     14.60967927      8.87988996    -14.86516972
  H     14.43641460     13.29226534    -13.89960387
  H     16.23955645     14.16872958    -12.75186077
  O     15.10568006     10.58618948    -12.68760148
  H     13.02497372     12.84181443    -13.35336355
  H     15.69504541     13.65792244    -10.61895269
  O     13.66421132     11.14268880    -16.24707319
  H     17.75999525      9.76322813    -14.96545789
  H     16.87671431     14.59906872    -10.28399851
  O     15.67493864      8.14520984     -9.13895737
  H     17.77047385      8.29793135    -15.44246547
  H     14.15172719     12.10844675     -9.98855582
  O     20.49315450      8.79496317    -13.56219081
  H     17.86888709      9.81151550    -10.70369582
  H     13.32693514     13.14952257    -10.75735376
  O     15.91169257     14.17992329    -13.65908715
  H     18.93547915      8.71737305    -10.40590696
  H     18.59758395     11.80130074    -14.50657414
  O     16.59102873     13.92506160    -10.89456368
  H     16.76175295     10.57008979    -16.60923026
  H     18.40508642     11.12782309    -13.12621533
  O     14.11981068     13.04764102    -10.21973354
  H     15.47727198     11.39870957    -16.79471258
  H     11.94930150      9.45140215    -12.14637708
  O     18.75615787     10.98585876    -14.01650770
  H     18.14801115      6.93964538    -13.90738163
  H     12.45657202     10.14258591    -10.87461665
  O     11.75943137     10.18121573    -11.54528981
  H     18.82341204      5.94747099    -14.88869591
  H     14.48051674     10.30228141    -11.00287489
  O     14.13360831     10.26184518    -10.09772721
  H     17.35219036     12.64814256    -16.05111614
  H     14.62176844      9.56614407     -9.64303619
          69
 Ord_Energy   -249.069733    
 O   -1.14034629       2.13153720       4.59305620    
 H  -0.923316181       1.44034731       5.24083710    
 H   -2.10327673       2.15975761       4.55036974    
 O    3.88081169      -1.54157376       2.75777698    
 H    4.72936678      -1.91359651       2.53320551    
 H    3.31604338      -2.28449464       3.03931785    
 O   0.235103250      -3.19697738       5.55762911    
 H   0.861806333      -2.54494858       5.91220188    
 H  -0.278279424      -2.75323749       4.86727905    
 O   0.677946746       3.82939982       5.85085678    
 H    1.54890978       3.50407767       5.60013008    
 H    3.15278508E-02   3.33627915       5.32620049    
 O  -0.568609834      0.202980816       6.44855690    
 H   0.262067646     -0.282681972       6.50083780    
 H  -0.726820469      0.602049232       7.31610298    
 O   0.315472692       3.57857490       8.52319717    
 H   0.385934502       3.72244096       7.56194544    
 H   0.237399533       4.44001389       8.92474842    
 O    2.76082611       2.12797070       8.16943359    
 H    1.95417452       2.59107661       8.42658710    
 H    2.71422696       1.24834096       8.56250381    
 O   0.386082977      0.505791247       2.97002435    
 H    1.18500614      0.475254118       3.51595879    
 H  -0.189011440       1.17579496       3.36143303    
 O   -3.52031064     -0.915427625       4.25240278    
 H   -3.46960235      -1.22333205       5.16816139    
 H   -2.73036480      -1.27362633       3.82825923    
 O   -9.98727046E-03  -1.14206386       9.61608028    
 H  -0.420922548      -1.85099113       9.10895061    
 H  -0.545567989     -0.345788807       9.49162388    
 O    3.39810205       2.74511528       5.61340666    
 H    3.23156714       2.51341558       6.54601288    
 H    4.09539509       3.39545655       5.61173344    
 O   0.301973701      -3.23040962       1.25633204    
 H    5.77948503E-02  -3.65333438      0.438033730    
 H   0.779075444      -2.41356969       1.02250171    
 O   -3.90755796       1.73728704       4.71678734    
 H   -3.81616306      0.795955718       4.48128033    
 H   -4.69541550       2.05183601       4.28189039    
 O    1.84015739      -1.22953224       6.52298117    
 H    2.22320867      -1.01725721       7.38162947    
 H    2.25131917     -0.673750639       5.84524345    
 O    2.15584683      -3.55925727       3.40183878    
 H    1.54634202      -3.60699797       2.65363955    
 H    1.60053539      -3.59790921       4.18849182    
 O   -1.08632302      -3.32361269       7.99117231    
 H  -0.633114994      -3.37461305       7.13296175    
 H   -1.17249823      -4.21982813       8.30677986    
 O   -1.00576138      -1.88639712       3.38373232    
 H  -0.730518997      -2.42899847       2.63507724    
 H  -0.545996606      -1.04024780       3.28332162    
 O   -2.82989907      -1.39079475       6.90290165    
 H   -2.06778693     -0.852808297       6.63467121    
 H   -2.45067191      -2.15035343       7.35646582    
 O    2.71951437      0.325372249       4.46462250    
 H    3.31521010     -0.167732432       3.88602376    
 H    3.10836744       1.16748405       4.73385859    
 O   -1.24740446       1.27915704       8.90975285    
 H  -0.787046254       2.12662363       8.86643696    
 H   -2.14327431       1.39630711       8.55698967    
 O    2.56503534     -0.529936135       9.13761425    
 H    3.13373256     -0.932306468       9.78816128    
 H    1.64920008     -0.756438375       9.38426971    
 O    1.69520032     -0.915448487      0.943784237    
 H    2.53113294      -1.04891205       1.40581095    
 H    1.18921697     -0.301046371       1.49529517    
 O   -3.66015720       1.21716905       7.58309650    
 H   -3.79372334       1.54850280       6.68791771    
 H   -3.58930516      0.257138610       7.48454428    
          69
 Energy    -249.06940321587388     
  O     14.08009649      9.67800759     -9.87254522
  H     13.59437356      9.65630360     -9.05244755
  H     18.00551634      6.74671884    -15.65603046
  O     14.76567373     12.74623108    -13.24930001
  H     14.94040114      9.25017572     -9.70183474
  H     15.73954342      9.23444377    -16.22021657
  O     16.98870160     11.70351424    -14.81371280
  H     14.39936156     13.58386233    -13.52369736
  H     15.94319777     10.73447080    -15.91308228
  O     11.33082617      7.02798456    -15.26046692
  H     14.19554731     12.05602384    -13.62605253
  H     15.23368167      8.51186251    -12.85964438
  O     16.53257679      8.62821975     -9.52182449
  H     17.59003524     11.19326525    -14.25568975
  H     16.48962072      7.69604457    -12.45937098
  O     13.37640120      6.12228345    -13.46547072
  H     16.38236836     12.15452218    -14.21557558
  H     17.99602134      6.60769367    -11.73025760
  O     13.37252187     10.65575935    -14.37456805
  H     11.89147131      6.62844928    -14.58450673
  H     16.67398694      5.76455750    -11.54565312
  O     13.03589283      9.20935954    -17.69498308
  H     11.67595159      6.72703129    -16.11072306
  H     15.96457565      4.36527708    -13.16601461
  O     16.69657905      4.24625488    -14.73616571
  H     16.78305367      7.83010916    -10.00730678
  H     15.34707539      3.66683756    -11.93191801
  O     16.45880342      7.63761135    -15.73714069
  H     17.18814282      9.30067132     -9.74287521
  H     17.54439067      9.44920628    -13.08169979
  O     14.57218970      5.63262618    -15.95153874
  H     13.38435520      6.99432570    -13.04420356
  H     18.42071914     10.29539047    -12.13516277
  O     18.74386479      6.14523935    -15.45972491
  H     13.99966801      5.57163114    -12.97654264
  H     19.18807555      8.14111061    -12.95513669
  O     15.31349560     10.09988184    -16.28674194
  H     14.05220407     10.42069973    -15.02477714
  H     19.21485387      6.80637467    -13.73244421
  O     16.14379275      8.32068071    -13.11110518
  H     12.51694501     10.44196167    -14.76853257
  H     18.66857572     11.41475965     -9.82171172
  O     17.16595185      6.53245449    -11.23241301
  H     12.33261826      9.50943243    -17.10681146
  H     17.27398941     11.32117729    -10.48815807
  O     15.49157222      4.52239248    -12.32887558
  H     13.85440356      9.59350489    -17.35320212
  H     12.83101930      7.48103148    -17.81828913
  O     18.37652735      9.94520617    -13.03453555
  H     17.48265900      4.75756235    -14.96085586
  H     12.33124790      6.25225564    -18.61710428
  O     19.27978439      7.18596620    -12.84769219
  H     15.98662302      4.58067053    -15.30230050
  H     15.34487138     12.25468128    -11.55869701
  O     18.12627949     10.86145009    -10.37746938
  H     15.80064657      6.95061507    -15.91179910
  H     15.02077967     11.25581584    -10.42180380
  O     12.64799648      6.52583038    -17.76080285
  H     16.36762781      7.87750660    -14.80066944
  H     11.11946483      8.75374535    -15.42725188
  O     15.65646152     11.92300656    -10.70742618
  H     14.12292524      5.81319896    -15.11246074
  H     10.16383116      9.94173029    -15.69242465
  O     11.08516874      9.70781901    -15.62200983
  H     13.94556923      5.83216259    -16.65744775
  H     13.37194404      9.42880713    -13.02436539
  O     13.49387134      8.69376380    -12.40797092
  H     19.32609416      6.16924264    -16.21517604
  H     13.59458849      9.05312031    -11.51645190
          69
 Energy    -249.06852852277012     
  O      1.57106189     -1.30962321      2.65352464
  H      1.96274720     -1.01728839      3.48619603
  H      4.90262877      1.23899260      0.29076803
  O      2.34145662      2.62062082     -0.91293334
  H      1.14168451     -0.52087949      2.28637280
  H      0.29704858     -2.42758172      3.09674072
  O     -2.12856348     -1.92435551     -2.61673630
  H      1.98205473      3.48383441     -0.67765175
  H     -0.21303679     -3.75630395      3.70788978
  O      2.71355086     -1.42759213      0.10273248
  H      1.57380088      2.05727706     -1.08455178
  H     -3.14521048     -0.49976520     -2.73304216
  O     -2.47925145      1.90749638     -0.82464107
  H     -1.21939659     -1.89220894     -2.28999447
  H     -4.07953242      0.38795334     -3.58805766
  O     -1.59649603     -2.14032691      0.92281701
  H     -2.58619012     -2.55967799     -2.05361331
  H     -4.74343359     -0.58349672     -1.24863377
  O     -0.67043715     -0.47877080      5.00759869
  H      3.20326131     -0.59825516      0.14584201
  H     -4.53701126     -0.60381622      0.27413799
  O      0.08831311      0.99248414     -0.89516506
  H      2.41935315     -1.57637800      1.01134547
  H     -1.70673632      3.07953334      3.39042838
  O     -1.98993416      1.37250190      3.48523703
  H     -1.55793618      1.62646746     -0.94672390
  H     -1.92572400      4.53372679      3.86940379
  O      2.22087694      0.00411716      5.01390911
  H     -2.98823766      1.47897316     -1.52311269
  H      0.78595319      1.87034201      2.03319443
  O      1.06006030      4.95807644      0.03932480
  H     -2.25173936     -2.71645026      0.50521116
  H     -0.50524427      1.09352012      2.36893261
  O      4.00759883      1.12057562      0.59999749
  H     -1.34497209     -2.51835670      1.77421070
  H     -0.30446062     -1.91231255     -0.38899373
  O     -0.50110438     -2.90517555      3.38734421
  H     -0.72070763     -1.34543652      4.58814245
  H      1.17977133     -1.73172738     -0.82639843
  O     -3.77703499      0.24101358     -2.69588720
  H      0.26922750     -0.26955971      5.07992592
  H     -4.18207149     -2.63082074     -0.52999584
  O     -4.97736641     -1.07090470     -0.44826565
  H      0.16965961      0.06406710     -1.14751477
  H     -4.13657955     -4.17505835     -0.63873739
  O     -1.45342111      4.00586196      3.23104689
  H      0.17466017      1.01510728      0.07069500
  H     -1.65391947      4.19639328      1.31416223
  O      0.30798459      1.05119241      1.85108576
  H     -1.63202661      0.72305883      4.10834903
  H     -1.97639608      3.53912426     -0.05631358
  O      0.26836229     -1.75407520     -1.15356770
  H     -2.53969900      0.92081189      2.82906077
  H     -2.90250032      0.82793810      0.59164969
  O     -3.58546556     -3.39954501     -0.58453641
  H      2.59778539      0.69573946      4.43932486
  H     -2.53914565     -0.58350958      1.14750077
  O     -1.54286831      4.29466183      0.36104759
  H      2.78993055     -0.05361176      5.77650764
  H      3.54867545      1.53324049      2.40492355
  O     -3.10962955      0.18630774      1.28670403
  H      0.10898195      4.74651978      0.06519332
  H      2.66418102      2.57864184      3.11889181
  O      3.23499747      1.81390614      3.27402786
  H      1.13223085      5.86542301     -0.24347683
  H      1.33424161      4.13921867      1.70057177
  O      1.26761799      3.64172095      2.52587741
  H      3.44720193      1.69113771      0.04402000
  H      0.39554821      3.84179761      2.89010338
          69
 Energy    -249.06848714501979     
  O     17.05135048      5.21036866    -14.63765809
  H     16.96818204      5.48580781    -15.56391774
  H     18.65864848      8.54022336    -16.15197645
  O     14.19235171     11.21298738    -10.50441133
  H     17.97288958      5.28949003    -14.36338067
  H     13.81337682     10.67733610    -13.76882661
  O     16.26196325     11.65856032    -12.44599454
  H     13.63948940     10.75836870    -11.16127980
  H     14.83604102     10.56331636    -14.93865243
  O     11.32367010      8.24808172    -14.15332956
  H     13.61916342     11.81900842    -10.04084457
  H     16.56404438      6.84088745    -13.87289120
  O     18.32141536      5.98341631    -11.16546181
  H     15.67038948     11.61327098    -11.68531027
  H     16.08493211      8.26364819    -14.29599645
  O     13.21701082      6.09884099    -13.89390674
  H     15.67621584     11.67647568    -13.21293619
  H     15.44569219      4.39115220    -11.94027294
  O     12.95433528      9.68225211    -12.46752878
  H     11.34170806      8.46677517    -15.09208356
  H     15.17407558      5.68066209    -11.16269620
  O     12.44045932     11.42866350    -16.49707200
  H     11.77638778      7.39831972    -14.07702704
  H     20.34298925      5.22250763    -13.42648469
  O     16.57014370      6.21378813    -17.11693899
  H     18.26476458      6.79122333    -10.64485671
  H     19.15487757      5.84058851    -12.64893096
  O     15.71778632      9.27659895    -15.75173271
  H     17.45650553      5.55165043    -11.11129822
  H     15.69437072      4.26169183    -14.07476547
  O     13.98725679      7.23231629    -16.37981761
  H     13.63802687      5.22980416    -13.88623630
  H     14.89628321      2.93606501    -14.03899885
  O     18.13070859      8.62299927    -16.96678316
  H     13.50781253      6.52891042    -13.07818254
  H     17.46575449      8.85183998    -12.80634622
  O     14.27535945     11.18664218    -14.44966531
  H     13.44269965      8.91235167    -12.14603773
  H     17.51255144     10.37165812    -12.49080630
  O     16.29020550      7.70266102    -13.53644018
  H     12.24493742      9.32050277    -13.01833045
  H     19.14716024      8.92817587    -13.90264131
  O     15.74912800      4.90716683    -11.18457955
  H     12.30318626     12.33718924    -16.75183320
  H     19.58921428      7.49874684    -14.27611327
  O     19.56114213      5.75742244    -13.53245650
  H     13.07954324     11.44851248    -15.76672386
  H     18.20621803      8.99957720    -10.81941443
  O     14.89411900      3.83475884    -13.72019778
  H     15.65232279      6.50397537    -17.03213122
  H     18.87485663      8.95338783     -9.42523656
  O     18.04447303      9.56187866    -12.48860896
  H     17.11010483      7.01024021    -17.19727725
  H     11.97254830      9.77206185    -16.84255738
  O     19.48023523      8.38952598    -14.63202830
  H     15.09780352      8.59809420    -16.05850364
  H     11.05934152      8.78939433    -17.61304622
  O     18.15584752      8.59199796     -9.93761111
  H     16.54262911      9.17342187    -16.24268047
  H     16.30212765      8.74718865     -9.57218831
  O     11.74138299      8.83287705    -16.94767661
  H     13.20685933      7.71166061    -16.68709380
  H     15.05741070      9.66769790     -9.71490563
  O     15.33715779      8.76172541     -9.53600710
  H     13.74925158      6.82326337    -15.53608301
  H     14.65244402      7.80248412    -10.82062990
  O     14.37254884      7.39844467    -11.65718367
  H     18.69398396      9.02989838    -17.61926422
  H     15.09907098      7.51550928    -12.29273841
          69
 Energy    -249.06820111510939     
  O     16.08975625     10.98470131    -15.12603159
  H     16.04734434     10.50586799    -15.97343299
  H     19.87469432      2.52299586    -14.48076200
  O     12.76686089      5.27800846    -15.44193656
  H     16.37115800     11.87286971    -15.32791503
  H     21.00525749      7.39348300    -16.32079774
  O     17.91471727      6.92845522    -11.76371467
  H     13.04952383      5.46644045    -14.53086888
  H     19.99801210      6.70499486    -15.37077496
  O     19.49455494      4.29214827    -17.12821218
  H     11.88308763      4.92368962    -15.38344899
  H     16.91645964      7.01833026    -16.00406080
  O     17.02832537      4.85646984    -18.48575695
  H     17.59606296      7.02802555    -10.85423561
  H     16.56302087      5.88262294    -14.99699446
  O     14.05773435      8.33367415     -9.66300276
  H     17.62094316      7.70908512    -12.25437640
  H     14.21264634     10.51223225    -14.72692579
  O     13.66318817      5.93596659    -12.90518784
  H     18.67381913      4.39059458    -17.62608460
  H     13.45928152      9.24639043    -15.15644518
  O     16.79649209      8.85724042    -13.40437562
  H     19.82094602      5.18627158    -16.96326275
  H     15.21708031      3.67807151     -8.73781332
  O     16.67923322      4.05204986    -14.56969353
  H     16.28056483      4.59130233    -17.92123339
  H     14.48364844      4.77683461     -9.54582653
  O     13.08554537      5.69613806    -10.08389752
  H     16.82606408      4.55179978    -19.36660288
  H     13.37591812      6.97635678    -16.08284027
  O     15.05034667      4.09605568    -16.78983546
  H     13.71563418      9.11832691     -9.24255931
  H     14.80287744      7.42281171    -15.76193198
  O     19.37046717      3.32162258    -14.60753694
  H     14.08655683      8.51714438    -10.61823503
  H     19.18212148      6.32377923    -13.02758036
  O     20.16478729      6.94389662    -16.30075693
  H     13.79199745      6.88732463    -12.78724674
  H     19.63352327      5.09969544    -13.86921557
  O     16.44221352      6.82029424    -15.18538511
  H     14.49672105      5.51744662    -12.64796307
  H     16.73591186      5.55400626    -11.96852125
  O     13.40617309     10.00882345    -14.56222437
  H     16.71251021      8.12491194    -14.03698161
  H     15.90267087      4.53880870    -11.13625596
  O     15.35515358      4.37948170     -9.36787313
  H     16.66843479      9.66895395    -13.90997349
  H     15.79041697      7.53251173     -9.37426705
  O     13.96658339      7.73474900    -16.13932757
  H     16.43824543      4.18282597    -13.64163281
  H     16.28588906      6.09322000     -9.19386711
  O     19.72136930      6.05624862    -13.78191740
  H     17.58455425      3.71865325    -14.57870265
  H     15.06666017      8.93092757    -17.16801094
  O     16.09031018      4.83507191    -12.03464270
  H     13.29563670      6.60580797     -9.83269959
  H     16.54992135      8.85736124    -17.57889548
  O     16.59210030      6.99612952     -9.34167389
  H     13.05988657      5.69474915    -11.04851311
  H     13.76633803      9.16271578    -13.02799447
  O     15.83722390      9.47691146    -17.37267912
  H     15.58887027      3.92733129    -16.00179495
  H     15.16670336      8.68914051    -12.60217495
  O     14.23144548      8.63633145    -12.36208879
  H     14.22649222      4.46783334    -16.45807999
  H     17.51064370      6.57900986    -18.01020267
  O     17.73489789      7.41808906    -17.58497797
  H     19.46974526      3.57549105    -15.54328305
  H     18.62655074      7.33863437    -17.21946332
          69
 Energy    -249.06819978686241     
  O     12.67813606      5.55060721    -15.14255204
  H     13.04021242      5.66436215    -14.24733733
  H     19.96990393      6.54300267    -15.56184214
  O     18.18350150      6.66086471    -11.79409584
  H     11.78061445      5.24583138    -15.03492175
  H     16.87543499      7.07606486    -15.92953021
  O     19.18304238      4.27936101    -17.41133824
  H     17.94142368      6.72151080    -10.85797126
  H     16.52776505      5.90192554    -14.96544926
  O     16.66207810      5.07195210    -18.53394836
  H     17.90362392      7.48675150    -12.21363743
  H     14.50303095     10.63541999    -14.24082754
  O     14.59317634      8.15513984     -9.31602360
  H     18.33493950      4.45699998    -17.83600510
  H     13.64056181      9.44558819    -14.68224470
  O     13.80349159      5.99371279    -12.65083956
  H     19.57703394      5.14060514    -17.22100787
  H     15.52136495      3.39046614     -8.75832527
  O     17.06915266      8.75148381    -13.22585893
  H     15.94379191      4.81614641    -17.92832834
  H     14.80018282      4.57911426     -9.44030999
  O     16.55952438      4.04441298    -14.65604091
  H     16.37490768      4.83579382    -19.41223313
  H     13.34354597      7.24723412    -15.72972193
  O     13.42658281      5.61102543     -9.81141676
  H     14.33430261      8.93049547     -8.82480809
  H     14.81611989      7.58796875    -15.49747099
  O     14.77363176      4.32376543    -16.73373702
  H     14.56134013      8.39639676    -10.25822489
  H     19.31084793      6.06357020    -13.18752397
  O     19.18842695      3.16099820    -14.94955899
  H     14.00095802      6.92653981    -12.48828034
  H     19.61878281      4.87051962    -14.13214183
  O     20.08078131      6.82977940    -16.48662431
  H     14.62582723      5.51157220    -12.48529366
  H     16.90775067      5.37366476    -11.98451208
  O     16.45279552      6.85507227    -15.08875878
  H     16.89131801      8.06664603    -13.89138140
  H     16.07703435      4.35876902    -11.14935801
  O     13.68099270     10.17089076    -14.04230347
  H     16.95502730      9.59954418    -13.67159243
  H     16.28839306      7.23698806     -9.21268131
  O     15.65566804      4.12083659     -9.35543450
  H     16.39812531      4.13042128    -13.70576437
  H     16.70374685      5.76257544     -9.15624644
  O     13.97519497      7.97165762    -15.78858514
  H     17.43859332      3.65963877    -14.75617900
  H     15.06809269      9.16354416    -16.82984136
  O     19.77347653      5.81286336    -13.99653907
  H     13.71235176      6.48915023     -9.52510853
  H     16.50840301      9.02898653    -17.36059509
  O     16.21468673      4.69949104    -12.04100891
  H     13.32807889      5.67191062    -10.76940147
  H     14.10162112      9.21014406    -12.59333089
  O     17.05459167      6.65344961     -9.27502397
  H     15.35836242      4.07440900    -16.00203002
  H     15.49726907      8.62923818    -12.30814327
  O     15.85407702      9.67511880    -17.06280996
  H     14.00245594      4.72167581    -16.31663765
  H     16.69196554     11.90201330    -14.93076828
  O     14.58136020      8.61645449    -11.99816819
  H     19.23262710      3.46702503    -15.87385335
  H     16.23419351     10.59977410    -15.62708619
  O     16.37081413     11.02096908    -14.75927316
  H     19.64910771      2.32773872    -14.90987664
  H     17.28727946      6.72981538    -17.99862983
  O     17.59580229      7.52582616    -17.54438349
  H     20.94417488      7.22956213    -16.54699736
  H     18.50568537      7.37127930    -17.25595995
          69
 Ord_Energy   -249.067947    
 O   -2.08457398      -8.05865042E-03   2.06033826    
 H   -2.55938053     -0.854082823       2.06056237    
 H   -2.22600770      0.384489149       2.93029761    
 O   -6.24014711      -4.54872417       1.75166273    
 H   -6.34348440      -3.59352732       1.88955426    
 H   -6.99010563      -4.96929455       2.19035649    
 O    3.75441201E-02  -2.92853975       4.18639517    
 H   0.152037695      -2.45052290       3.34349990    
 H   0.904111028      -3.02146816       4.57131910    
 O   -6.27416611      -1.86489868       2.28964329    
 H   -6.45219803      -1.72908461       3.23124123    
 H   -6.31664371      -1.00063014       1.86206472    
 O   -1.91317356      -5.50608635      0.462417275    
 H   -1.84587669      -5.20673466       1.38535881    
 H   -1.54304945      -6.38417578      0.427438378    
 O   -2.70560026      0.857803702       4.65854454    
 H   -3.66571307      0.909751177       4.50011873    
 H   -2.46492648       1.64094579       5.14608097    
 O   -6.51618052      -4.55322838       7.25353718    
 H   -6.42214346      -4.45757580       8.19768524    
 H   -5.78230858      -4.05998564       6.84893131    
 O   -8.43262577      -3.46812105       5.38850832    
 H   -8.46604538      -4.12174463       4.68086958    
 H   -7.92485523      -3.87845707       6.10067844    
 O   0.166523308      -1.64226580       1.83087230    
 H   -5.39548919E-02  -2.11784029       1.01793492    
 H  -0.475350857     -0.921970069       1.88737988    
 O   -5.34728622      0.899778128       4.11617804    
 H   -5.85911179      0.181943700       4.51324844    
 H   -5.60627174      0.941769123       3.18833065    
 O  -0.810457885      -2.96837544     -0.430051178    
 H   -1.54636204      -2.54657960     -0.887861550    
 H   -1.09293449      -3.87170029     -0.248499572    
 O   -4.24917936      -4.09441996     -0.165170744    
 H   -4.99639082      -4.36919785      0.383781850    
 H   -3.52892113      -4.72473574      -2.74302494E-02
 O   -3.55384707      -2.37843370       2.00314379    
 H   -3.66475582      -2.85919166       1.17346275    
 H   -4.44753218      -2.12235260       2.26510262    
 O   -6.58313131      -1.47445905       4.98909473    
 H   -7.36838484      -2.02117467       5.13661242    
 H   -5.83356571      -2.00240278       5.29958725    
 O   -2.27952504      -1.83256388       5.51112080    
 H   -1.46001494      -2.15138435       5.11664438    
 H   -2.37071943     -0.906793594       5.25424242    
 O   -3.28834653      -1.96504176      -1.61315680    
 H   -3.42251992      -2.02614427      -2.55655360    
 H   -3.74295259      -2.72743034      -1.21866572    
 O   -6.46816158      -6.58928204       5.25504494    
 H   -6.51811981      -6.05230761       6.05571318    
 H   -5.66157436      -6.30230379       4.80282164    
 O   -3.79549861      0.435831428      -9.77298766E-02
 H   -3.10280132      0.432178438      0.578296661    
 H   -3.62435842     -0.328743100     -0.659285486    
 O   -4.58779716      -3.25355291       5.77575207    
 H   -3.75022292      -2.76677871       5.76002359    
 H   -4.53805876      -3.93724179       5.09459877    
 O   -8.23859978      -5.63144684       3.42388725    
 H   -7.66233015      -6.06396627       4.07935095    
 H   -8.98022270      -6.21459246       3.28355861    
 O   -4.45499039      -5.27866936       3.82898974    
 H   -4.99830961      -5.02732897       3.06963372    
 H   -3.53114176      -5.14376116       3.58306408    
 O   -6.07706118      0.737403333       1.32094193    
 H   -6.65518951       1.35783911      0.885570586    
 H   -5.27324343      0.670447171      0.775136590    
 O   -1.96820796      -4.41482067       2.97236013    
 H   -1.21007133      -4.07298326       3.46074963    
 H   -2.49574757      -3.63826704       2.72402334    
          69
 Ord_Energy   -249.067780    
 O   -4.56821060      0.868510723       4.92169619    
 H   -3.96832156      0.173283756       5.24600458    
 H   -4.95299053       1.28141987       5.69021463    
 O   -1.25352526       2.77739549       1.05444336    
 H   -1.56368661       3.66368151      0.885671675    
 H   -1.84151900       2.39902806       1.72989547    
 O    1.41879618      -2.27819872       1.91748047    
 H   0.677699447      -2.10391617       2.51181173    
 H    1.23156130      -1.80746448       1.09500945    
 O    1.19686902      -3.16377521       5.58069754    
 H    1.84348333      -2.49163508       5.83033323    
 H   0.703450739      -3.43778753       6.36488581    
 O   -4.26483965      -3.24069166       4.42975998    
 H   -3.88775158      -2.52337027       4.96088982    
 H   -3.68995571      -3.32196283       3.65493822    
 O   -1.15975094      -5.77207375       3.06576967    
 H   -1.14725220      -6.65469074       2.70594144    
 H  -0.233852789      -5.47356033       3.11565065    
 O   -1.60972977      0.309996217     -0.411565661    
 H   -2.30415606     -0.141696513       8.74974132E-02
 H   -1.56467819       1.20982456      -6.77889064E-02
 O  -0.568260550      -1.78565311       3.95273876    
 H  -0.376289338     -0.838883102       4.01492977    
 H    3.07639991E-03  -2.26083088       4.57332277    
 O   -2.28295493      -3.28002214       2.39601374    
 H   -1.96565247      -4.18992758       2.44228554    
 H   -1.67833269      -2.76367188       2.95079541    
 O   -2.74537706       1.36190033       2.87990928    
 H   -3.41906452       1.37976456       3.57068038    
 H   -2.90524268      0.559464693       2.36078978    
 O  -0.263115734      0.927658796       4.08008289    
 H   0.337384999       1.12757695       3.35002112    
 H   -1.15365517       1.13990378       3.77001739    
 O    2.95377088      -1.00479829       5.93020105    
 H    2.99385095     -0.717290103       5.00082397    
 H    3.83140159     -0.900084734       6.28791189    
 O    1.33227396      -4.74447441       3.27269053    
 H    1.51432574      -4.03827953       2.63958406    
 H    1.39762032      -4.32592583       4.14248657    
 O   -5.59005165      -1.07984173       3.02395105    
 H   -5.37989664      -1.89516056       3.49692082    
 H   -5.45474720     -0.369209647       3.66177583    
 O   -2.85844302      -1.13998139       5.61987877    
 H   -2.48711872      -1.16494513       6.51563835    
 H   -2.12786412      -1.35114801       5.02918911    
 O   -3.36641335     -0.917839408       1.39800453    
 H   -2.96660280      -1.77672577       1.58960223    
 H   -4.24592781     -0.940635443       1.80338681    
 O   -1.45484650      -1.28200352       7.90807867    
 H  -0.726165593     -0.716661394       7.60632277    
 H   -1.12358642      -2.18737793       7.91458941    
 O   -2.21893954      -4.91039085       5.59105921    
 H   -3.03317952      -4.46706820       5.32643032    
 H   -1.85256374      -5.29148483       4.78385544    
 O    2.91988373     -0.323205173       3.29449081    
 H    2.57033944      0.452563852       2.84476972    
 H    2.56575036      -1.07951427       2.80663848    
 O   0.524304330      0.277333498       6.73961210    
 H   0.240668535      0.657379329       5.89872265    
 H    1.40094936      -8.73664320E-02   6.57233953    
 O    1.19698024       1.45725048       1.74404335    
 H   0.490234166       2.06255817       1.48471928    
 H    1.20368826      0.770324767       1.06403577    
 O  -0.575702548      -4.00184631       7.55205917    
 H  -0.549843967      -4.64121675       8.25903893    
 H   -1.19815969      -4.34646749       6.88601875    
 O   0.925882757     -0.583132207     -0.242380232    
 H    1.32126200     -0.605136752      -1.10990977    
 H   -7.97954015E-03 -0.335174173     -0.364187777    
          69
 Energy    -249.06751039273036     
  O     16.11382722     10.24520621    -16.65795998
  H     15.24007465     10.56859247    -16.40748194
  H     17.44276068      6.59723435    -11.29071162
  O     15.03617917      5.23803627    -13.04469788
  H     16.02412149      9.69169684    -17.44557165
  H     21.08715355      9.69394345    -16.97906418
  O     19.50841159      8.30731762    -14.15754296
  H     15.82094188      5.32489765    -12.49156713
  H     19.69713551     10.17796757    -16.49517772
  O     14.13916271      7.01719281    -17.25742204
  H     15.34809804      5.28514597    -13.95980479
  H     17.69477496      8.32867926    -14.53155611
  O     18.03882578     10.98408873     -9.82299760
  H     19.88909796      8.67454908    -14.96529165
  H     16.56283942      8.99303154    -15.38574503
  O     15.12266094      8.84101947    -12.54351712
  H     19.56641979      8.97772869    -13.46278023
  H     12.93019831     11.56494547    -16.05621779
  O     17.70947019     12.21411688    -13.58912283
  H     14.73294529      7.46541877    -17.87012875
  H     13.31296171     10.17174512    -15.49681231
  O     19.19476907      5.58646031    -13.80058580
  H     14.71056973      6.44580770    -16.72559627
  H     16.49258831      8.54756641    -11.43314936
  O     13.03266906      7.03344394    -12.89463426
  H     17.39393863     11.62164549    -10.15851946
  H     17.99858280      8.89138975    -11.48865145
  O     18.60796098      5.02155947    -16.36956217
  H     17.60136284     10.12595624     -9.84227892
  H     13.24662876      7.99024323    -16.04853052
  O     16.01560229      5.79577522    -15.58407546
  H     14.34129993      8.27606988    -12.56330781
  H     12.85188939      8.00280546    -14.54829597
  O     17.43965161      5.65470297    -11.52540968
  H     15.66239640      8.61153837    -13.31809003
  H     18.72221798     10.86361140    -12.79475764
  O     20.25899414      9.39057118    -16.61746351
  H     16.80794875     11.86728927    -13.66660550
  H     19.03930962     10.55176093    -11.32481031
  O     16.74326337      8.34160811    -14.69536079
  H     17.66514042     12.79780759    -12.82716695
  H     15.70183955     12.41693612    -11.77092940
  O     13.63167322     11.08622192    -15.62395544
  H     19.42200584      6.52563632    -13.86833770
  H     15.72275772     13.55402204    -10.73229305
  O     17.34574859      8.36414980    -11.01110741
  H     18.60712248      5.51199675    -13.04064620
  H     19.13507954      8.08830300    -17.44584369
  O     12.87930607      8.54475263    -15.34313829
  H     13.70045764      6.32452463    -12.93837465
  H     18.58338876      6.64141405    -17.34811946
  O     19.17835216     10.22880693    -12.22639104
  H     12.28129185      6.67512098    -12.43074761
  H     15.02315010     10.56878004    -12.89946151
  O     16.24602965     12.83909510    -11.08706943
  H     18.99215326      4.19142707    -16.63748183
  H     14.50266764     11.49264263    -14.02273541
  O     18.48490801      7.47977126    -17.81574033
  H     18.86233342      5.16279695    -15.43917368
  H     17.70203584     11.09745156    -16.45005711
  O     15.03890580     11.48303819    -13.22135102
  H     16.82387972      5.39744496    -15.92599903
  H     18.41734104     11.84630296    -15.31676019
  O     18.56713240     11.43579149    -16.17627608
  H     16.26030032      6.68419451    -15.28221171
  H     16.98233974      8.04744042    -18.45869112
  O     16.13846360      8.42838299    -18.76396376
  H     17.65505794      5.17717515    -10.72737823
  H     16.19299914      8.49028892    -19.71362541
          69
 Energy    -249.06738221452935     
  O     13.90759088      3.26452176     -9.76843834
  H     13.16088510      3.35158145    -10.37381078
  H     10.72751986      5.54925677    -14.24891260
  O     17.91486212      5.52227193    -10.98316226
  H     13.93504072      4.09609555     -9.27448097
  H     13.29329716      5.28780144    -11.78227127
  O     13.88008706      8.47136507    -12.47944083
  H     17.40877059      4.71486723    -10.84148382
  H     14.72871617      5.35157505    -12.34848975
  O     14.43503276      8.81731567    -16.86578148
  H     18.01028897      5.61745868    -11.94064919
  H     16.77520105      2.25704396    -10.64905934
  O     17.69816340      8.14772534    -10.34071195
  H     13.92435264      7.54415125    -12.19143495
  H     15.49444954      3.10461858    -10.48880185
  O     14.03593552      5.97253775     -9.03248661
  H     13.54951263      8.98586924    -11.73387715
  H     13.89021940      9.34388002     -9.64349511
  O     12.95499402      7.60393805    -14.90678600
  H     13.83418593      8.46005801    -16.19021028
  H     12.95310359     10.57165629     -9.75504994
  O     15.45268713      6.14747598    -17.23135695
  H     13.91046716      9.37984947    -17.42970002
  H     11.99206546      8.18605772     -9.58226178
  O     17.01555639      9.10592633    -15.67343478
  H     17.77424531      7.18564924    -10.47168488
  H     11.07634975      7.00776915     -9.99151510
  O     18.14869076      6.76662167    -16.42961314
  H     18.52881749      8.43929990     -9.97315367
  H     17.02587275      8.57353187    -12.04715288
  O     17.68443646      6.11170694    -13.74272014
  H     14.22244702      5.94026840     -9.98224781
  H     15.66401378      8.60866928    -12.78628016
  O     10.51636014      6.45578118    -13.99185083
  H     13.15357621      6.37067856     -8.96299072
  H     16.10229724      8.43302105     -9.38559365
  O     14.07702598      5.85082905    -11.84306531
  H     13.24921420      7.98453434    -14.06533295
  H     14.92888823      7.60968705     -8.80982636
  O     16.36243022      3.07039597    -10.92767128
  H     13.30396341      6.70308548    -14.96243297
  H     10.16820206      6.37253591    -12.27597768
  O     13.09995642      9.69394350    -10.09617583
  H     16.39322108      6.22484954    -17.03101930
  H      9.08934283      6.13343412    -11.19478201
  O     11.65485826      7.33046990     -9.29018546
  H     15.12325884      7.05374607    -17.27490940
  H     16.47152824      4.82392522    -13.57978891
  O     16.62082090      8.57097153    -12.92329389
  H     16.90100529      9.08190206    -14.71396007
  H     15.98141925      3.68136340    -12.63344693
  O     15.24310126      8.51270466     -8.95551405
  H     16.13044557      9.13208379    -16.05861659
  H     11.78168541      3.86676400    -12.61199839
  O     10.03259766      6.16691469    -11.33444486
  H     18.91697057      6.88407514    -16.98148713
  H     11.20936107      4.70000117    -11.43830859
  O     15.73697143      4.21828193    -13.39774928
  H     17.81816418      7.65780465    -16.21035191
  H     11.29191752      3.12815616    -15.06662283
  O     11.91488107      4.08536796    -11.68071311
  H     17.28701193      6.95662725    -13.48484099
  H     12.39721786      4.18921771    -14.86031635
  O     11.56588171      3.84003509    -14.49422787
  H     17.96654225      6.21232136    -14.65956114
  H     14.42360076      5.26852040    -16.06898864
  O     13.90966453      4.95702134    -15.30952870
  H     11.23197384      6.99635594    -14.34815336
  H     14.54067005      4.61323421    -14.66111760
          69
 Energy    -249.06698274629596     
  O      0.12074101      7.29569918     16.62795805
  H      0.44876750      7.53961303     15.75214216
  H      0.07839878      3.84056628     19.35855656
  O     -1.57278566      4.32701010     18.90636460
  H      0.70109168      6.57525113     16.92699250
  H      1.31872167      8.52060877     17.76461871
  O      4.83466474      5.40763828     19.90019816
  H     -1.63560871      4.60006967     17.97864141
  H      1.66814982      8.62492842     19.26289994
  O      2.21026717      5.44606696     21.04004416
  H     -2.23471820      3.63633101     19.03005607
  H      1.64592870      4.80117139     18.15246658
  O      0.83044434      1.93156157     17.17214330
  H      4.65679155      6.03698675     19.17940960
  H      2.63329448      5.91712260     17.67497982
  O     -3.46387088      2.27625079     18.73773820
  H      5.68672360      5.63697876     20.26188259
  H      1.28446590      6.59226733     13.87968838
  O     -0.45850885      3.13413492     14.96536413
  H      3.13962835      5.52025550     20.79218730
  H      1.29328194      8.04775466     13.35361647
  O     -1.76995099      5.17939074     16.26893831
  H      1.84184936      6.33844981     21.04026826
  H      2.75582559      4.52764541     16.02570689
  O      1.25876269      4.87839828     13.59370446
  H      0.87647798      2.45133973     17.98433767
  H      3.53820102      3.25988111     15.63747437
  O      4.06212581      7.07382494     17.91157315
  H      1.74098385      1.71487316     16.93472936
  H      3.78574781      2.06843506     17.55422069
  O     -1.06786802      7.09237952     19.25994553
  H     -3.75720243      2.66334446     17.89257485
  H      4.17895914      0.90217778     16.61377137
  O      1.01725544      3.62579845     19.46166502
  H     -4.24972785      2.02882859     19.21745202
  H     -2.88794518      0.62506657     14.22299805
  O      2.00532035      8.80715299     18.37573506
  H     -1.16982754      2.52097613     14.74153413
  H     -2.31549351      0.96959050     15.62202061
  O      1.88835556      5.36085172     17.40689070
  H      0.04070014      2.73519578     15.69134310
  H      2.88985792      2.96999828     19.39563800
  O      1.37568827      7.52537412     14.14718703
  H     -1.25743555      5.99393874     16.24254144
  H      4.25368640      3.68114443     19.36147659
  O      3.31020066      4.14267456     15.32889131
  H     -1.27562520      4.51659942     15.76313538
  H      0.58808166      8.51490996     21.57240019
  O      3.60874753      1.66274725     16.68573801
  H      2.06785629      4.56143585     14.01906719
  H      0.14193265      7.65876692     20.36168054
  O     -2.62241838      1.35189136     14.77925948
  H      0.57223574      4.27812446     13.91014725
  H      3.23211035      7.20755476     14.81625981
  O      3.80159100      2.86951516     19.09941949
  H      4.21222086      7.07605808     16.95467455
  H      4.00296447      5.90504482     15.09184742
  O      0.91762261      7.96496458     20.86638776
  H      3.44996044      7.79771262     18.11223184
  H     -2.22181248      1.07668345     17.85577366
  O      4.05791979      6.86659261     15.17852779
  H     -1.34529805      6.16783106     19.28167357
  H     -0.78733204      0.94667465     17.28066162
  O     -1.68606322      0.59889959     17.21059622
  H     -0.82102351      7.27862504     18.34612704
  H     -3.38767373      4.13593700     16.21659727
  O     -3.97249198      3.37135695     16.29887519
  H      1.37762741      4.22999817     20.13247362
  H     -3.65036872      2.72107334     15.66150153
          69
 Energy    -249.06633530972729     
  O     14.04419640     12.11781888    -15.80931340
  H     14.99027581     12.22765795    -15.95172774
  H     14.90546851     10.03993216    -18.00240363
  O     15.77984943      6.31530020    -12.89704703
  H     13.91720454     11.95622571    -14.86248645
  H     16.17649832      7.99716239    -15.72456196
  O     19.33232831      8.33156204    -14.02044924
  H     15.41561265      6.97626266    -12.29314160
  H     15.89261177      7.57228883    -14.23792545
  O     16.69085232      7.51282374    -17.39138020
  H     16.72211632      6.21671201    -12.69733166
  H     13.22679410     10.63370236    -13.02923027
  O     14.52136427      5.93392319    -16.82486051
  H     18.76151892      9.10072027    -14.16342218
  H     14.54591041     11.34121012    -12.66567813
  O     18.17576173     10.65891070    -10.00244507
  H     19.37996258      7.86152308    -14.86143662
  H     18.28279644      7.15937207     -9.71437436
  O     14.82052457      8.40485262    -11.38536094
  H     16.00302584      6.83026305    -17.34010275
  H     19.42332212      6.26476036     -9.16748124
  O     17.49349064     10.39288134    -14.38455541
  H     17.54603595      7.13391983    -17.15767636
  H     11.53433889      8.72474764    -12.74788050
  O     18.16252364      4.57152724    -14.92064817
  H     13.90349921      6.56460842    -16.43650322
  H     12.62859156      8.56357829    -13.82604839
  O     16.88877327      8.16388877     -9.42930708
  H     14.72073603      5.28988512    -16.13357134
  H     19.92597629      6.35061934    -16.87355229
  O     15.30416857      4.28043209    -14.64497729
  H     18.86299559     10.17751990    -10.49709134
  H     18.84036833      5.83562322    -15.89845964
  O     15.86295119     10.07652928    -18.11258564
  H     18.62265827     11.31208093     -9.47114477
  H     18.76051850      6.16581057    -11.66174843
  O     15.85652717      8.30556174    -14.86456736
  H     13.94304819      8.50108462    -11.77568984
  H     18.79686073      6.88554891    -13.04257156
  O     13.71693423     11.45428566    -13.14854000
  H     15.30740947      9.21120632    -11.61479200
  H     19.84871417      8.24962631    -10.85499915
  O     19.11008743      6.70307947     -9.95354943
  H     17.38342078     11.04568777    -15.08664033
  H     19.90960364      8.89009391    -12.25992832
  O     12.46994691      8.82701721    -12.90449639
  H     16.84373188      9.69062721    -14.55801015
  H     12.40871931     10.57962783    -18.01882671
  O     19.17433416      6.62844269    -16.35570633
  H     17.22538489      4.34591394    -14.92983632
  H     13.35362974     10.94264927    -16.84567625
  O     18.49812041      6.08481113    -12.58675143
  H     18.34728014      4.92036019    -14.03679317
  H     16.83695702     10.86159964    -11.26369488
  O     19.96884561      9.08860562    -11.31766452
  H     17.24098452      9.06159825     -9.48863642
  H     16.70024668     10.70897935    -12.80035271
  O     13.06150706     10.21528453    -17.42763615
  H     16.08402208      8.15662892     -9.96166247
  H     17.25855257     12.72066038    -17.06294793
  O     16.19535112     10.75394085    -11.97558611
  H     14.84985067      3.54227999    -14.24634085
  H     16.54860737     11.34807136    -17.15274929
  O     16.84950407     12.04033394    -16.53528369
  H     15.36814531      4.97246366    -13.96394483
  H     13.01763249      8.84654694    -16.19823260
  O     13.18590076      8.20030270    -15.49923175
  H     16.18988477      9.17669611    -17.97743387
  H     14.11765286      8.31421468    -15.25376754
          69
 Energy    -249.06622613728337     
  O     16.03585833      9.10712682    -14.34577261
  H     16.55376250      9.25786809    -15.15082995
  H     17.03919933     10.78993232    -16.51052723
  O     17.04397913     14.97349697    -16.43243174
  H     15.35679871      9.79050396    -14.32378067
  H     18.77726443     12.00613779     -9.32808653
  O     20.20004423     11.06115959    -16.69816388
  H     16.69220865     15.51941032    -17.13088435
  H     19.09636301     10.51077114     -9.52374515
  O     19.32368397     13.52331593    -10.19735196
  H     17.85296671     14.55611863    -16.78385518
  H     21.12625128     16.83302417    -12.75081436
  O     15.11842257     12.53637631    -11.81657985
  H     20.50702157     11.30049399    -15.80910602
  H     19.58845045     16.76458601    -12.87326387
  O     20.00926748      9.46826640    -10.90997430
  H     20.94289887     10.65631892    -17.14063669
  H     20.60127474     12.50940042    -11.02553019
  O     16.03321215     10.54196451    -10.01702318
  H     18.64238492     13.74649157    -10.84814012
  H     21.00564079     11.03742216    -11.23469325
  O     20.88108610     14.62424406    -15.00429912
  H     19.77151813     14.34394134     -9.95965324
  H     17.02059654      9.19703479    -12.90941573
  O     20.77649974     15.88392819     -9.86599346
  H     15.83495741     13.18134032    -11.87435076
  H     16.95602347      9.78003805    -11.46000804
  O     20.74478798     11.99767674    -14.13871201
  H     15.38011793     11.89995401    -11.13948699
  H     19.54957456     12.85292549    -17.19045907
  O     14.25455635     11.44071000    -14.13662293
  H     19.18326902      9.41831514    -11.42091659
  H     19.99360753     14.18488378    -16.56556609
  O     17.51270341      9.94770648    -16.57092912
  H     20.31968165      8.57194744    -10.80805420
  H     23.58740914     16.41333349    -13.58096281
  O     18.49687675     11.11579639     -9.07178432
  H     16.87432377     10.78432879     -9.58966156
  H     22.82288418     15.39459655    -12.70010704
  O     20.30470777     17.02663524    -12.28169260
  H     15.50753733     10.09650581     -9.35790773
  H     19.33365214     15.37444664    -14.39452449
  O     21.28635470     11.94337792    -11.41284079
  H     20.90809243     13.71511327    -14.67208813
  H     17.89106349     15.66432735    -14.84382392
  O     17.55878490      9.49610474    -12.15895372
  H     21.59805933     15.10852931    -14.57815740
  H     22.42681353     13.46379612    -11.31928041
  O     19.36533787     13.79868843    -17.19265132
  H     20.54682524     16.34694933    -10.69184802
  H     22.18593793     14.84796499    -10.67878546
  O     22.73379217     16.01003001    -13.45024093
  H     20.83477366     16.54693130     -9.18365717
  H     17.86440298     10.98932622    -13.21084280
  O     18.50369596     15.78649416    -14.10945492
  H     19.78293650     11.93380080    -14.01501997
  H     17.49837120     11.88539225    -14.44632823
  O     22.75809247     14.37022935    -11.29304002
  H     21.11578995     11.95022315    -13.24952394
  H     15.48803489     12.16421092    -15.29426513
  O     18.08937384     11.79813089    -13.68691697
  H     14.52411196     11.84178601    -13.29086334
  H     16.38767788     13.27268474    -15.96110091
  O     16.30888503     12.33004643    -15.77739159
  H     13.30147405     11.42584233    -14.14234093
  H     17.70623697     13.20575340    -12.69813320
  O     17.49872860     14.01214295    -12.19942767
  H     18.44249950     10.19086561    -16.63591742
  H     17.76574541     14.74242915    -12.77098748
          69
 Energy    -249.06574075363710     
  O     17.30471722      7.69040764    -12.49772132
  H     16.83330579      8.53906836    -12.49347295
  H     11.26378804     11.35573885    -13.32116591
  O     17.30885183      7.32771652    -15.27543363
  H     17.37642852      7.42474192    -13.42181775
  H     17.04685403      9.48089906     -7.08232704
  O     11.59360367     11.00355902     -9.83307883
  H     17.36516416      6.60093125    -15.88929679
  H     17.96395565     10.24439767     -6.09524671
  O     15.64733753      6.20968157    -10.82877620
  H     16.46164843      7.77779391    -15.44642707
  H     16.15783499     11.19884130     -9.77319022
  O     19.23022458      8.96764201    -10.98120524
  H     11.56832731     11.90063299     -9.50455455
  H     14.73627760     10.53018719     -9.65761731
  O     20.21619969     10.59177456    -13.06347228
  H     11.64260514     11.08054622    -10.79712658
  H     19.29264547      8.13603899     -9.31419616
  O     17.94526749     11.03875084     -9.56460718
  H     16.27553777      6.64700951    -11.41980306
  H     18.85653872      8.51447357     -7.88082292
  O     13.57043985      9.17918899     -9.18060688
  H     16.08359391      6.13069911     -9.97207106
  H     15.55032371     12.85192991    -13.10714576
  O     15.05070428      8.78609018    -15.65879771
  H     19.70331839      9.49435940    -11.63703985
  H     17.11316250     12.72318167    -13.04759222
  O     13.19604933      7.19427347    -11.19258663
  H     18.60911966      8.41826828    -11.48078475
  H     17.75594639      6.66155850     -8.38701969
  O     13.51711667      9.06564951    -13.25844254
  H     19.66646943     10.32650882    -13.82210939
  H     17.13938830      5.37034802     -7.80266786
  O     11.91313147     11.20957929    -12.63764874
  H     21.09293017     10.75105439    -13.40319256
  H     16.19147458     10.84132933    -12.96241215
  O     17.90043638      9.94454495     -6.99749314
  H     18.00537987     10.79861732     -8.63130925
  H     15.69177457     10.39200395    -11.58146175
  O     15.23852556     11.24347858    -10.07171925
  H     18.34742173     10.31083679    -10.05958789
  H     18.31280565      8.95048040    -15.22152801
  O     19.10391327      7.76789166     -8.44033662
  H     12.81776539      9.77953188     -9.28463441
  H     17.92529547     10.41032928    -15.49865572
  O     16.33588962     12.59606030    -13.61267064
  H     13.45205862      8.48132187     -9.83626038
  H     16.27066506     11.93462540    -16.72448959
  O     16.93375716      6.14371945     -8.32131306
  H     15.37345930      9.68582316    -15.80110967
  H     16.30185423     11.87699943    -15.17936449
  O     15.93993841     10.06071752    -12.45560736
  H     14.40009777      8.83040682    -14.94779581
  H     19.14885655     11.98138472    -12.31231120
  O     18.63313125      9.85744634    -15.14754974
  H     12.54795165      6.50517522    -11.07383310
  H     18.31144898     12.23031541    -11.04537729
  O     16.31895294     11.33236066    -15.98661816
  H     14.07252164      6.78216725    -11.07464921
  H     14.48249457     12.47973335    -11.23213490
  O     18.48929576     12.57350254    -11.92963287
  H     13.33312668      8.35568413    -12.62954775
  H     13.34175327     12.47314974    -12.26422755
  O     14.13170305     12.95654378    -11.99889855
  H     14.37983136      9.43174567    -13.00675252
  H     15.95266142      7.64975681     -7.67424606
  O     15.63564982      8.51233845     -7.37859432
  H     12.43860814     10.43998245    -12.91272084
  H     14.86025529      8.71975734     -7.91500271
          69
 Energy    -249.06562536023552     
  O     16.03432920     11.61195985    -12.70557434
  H     16.67221308     11.07646575    -12.21628834
  H     13.62412147      5.25271500    -15.33277477
  O     17.30200733      9.77751369     -7.06581987
  H     15.51311255     12.07768688    -12.04097377
  H     11.64177660     10.80158268    -11.00317835
  O     16.34325658      5.54566148    -10.35526126
  H     16.71354346     10.24697961     -7.67938445
  H     11.93577857     11.13386359    -12.47950378
  O     12.57086039      5.01527987     -9.88551661
  H     17.49836484     10.38624890     -6.35764762
  H     16.24583632      7.48767659    -14.02029527
  O     18.56337089      5.94938153     -8.78933794
  H     15.71867876      5.90823745     -9.71240539
  H     15.30723191      8.44010115    -14.77838459
  O     16.61669072      6.99319020     -6.95508000
  H     15.80189919      5.11414673    -11.03351231
  H     18.63998193      9.10842965     -8.29795330
  O     17.45374706      9.91329447    -10.90338305
  H     12.24596450      4.27259738     -9.38287200
  H     19.03922857      7.79966510     -9.00280518
  O     14.33824610     12.71213065    -10.66807990
  H     13.21429699      5.47548250     -9.31967173
  H     15.12246972      6.60534784     -7.84088146
  O     15.61042277     10.88614819     -8.94889220
  H     19.17160044      5.21446628     -8.78560871
  H     14.12934383      7.39590767     -8.73299669
  O     14.12678703      8.37278194    -11.92498727
  H     17.84775110      5.71442480     -9.40339311
  H     12.19721270      7.10610353    -14.38908989
  O     11.66894501      7.20449902    -11.37510437
  H     16.81654502      7.93598384     -6.90014624
  H     11.30132326      7.46312864    -13.20280232
  O     13.61709123      5.85465187    -14.59242568
  H     17.35662259      6.59486711     -7.43028786
  H     11.56876962      9.45849352    -14.22307366
  O     12.12172065     11.41234088    -11.57429069
  H     18.18108873      9.55833942    -10.37118802
  H     11.08552960     10.76681203    -14.88956364
  O     15.69951577      7.55591558    -14.81529414
  H     16.80373817     10.24037607    -10.26903435
  H     11.05982635      8.59575106    -10.45018504
  O     19.12880920      8.75911016     -9.05366758
  H     13.53839165     12.25660864    -10.98620002
  H     10.04629493      9.33185160     -9.53971859
  O     14.42938712      6.50386121     -8.51032170
  H     14.12854284     13.64210179    -10.63840376
  H     13.69256686      4.68856794    -11.46966814
  O     11.49228482      7.70782490    -14.11741817
  H     14.91070922     10.21540822     -8.96640154
  H     14.11515042      5.05404565    -12.91411139
  O     11.66062269     10.42807474    -14.20852828
  H     15.25551457     11.63842588     -9.43844741
  H     14.99650443     10.63998409    -13.76871329
  O     10.91527963      9.40233259     -9.92541473
  H     14.98947229      7.94368718    -11.98578715
  H     13.56004445     10.32513931    -14.33575582
  O     14.42744304      4.65605170    -12.09269684
  H     14.09889162      8.97895521    -12.67570233
  H     13.87038513      8.88556303    -10.25252296
  O     14.44734055      9.97367401    -14.21078011
  H     12.53687596      7.54280033    -11.65162969
  H     12.70068638      9.23566951     -9.30224539
  O     13.64299474      9.03505062     -9.31960007
  H     11.83711453      6.39775239    -10.87376883
  H     17.07564632      8.38012942    -11.79914741
  O     16.77612651      7.56604646    -12.22806065
  H     14.38336077      6.44517300    -14.71054512
  H     16.78885306      6.86062442    -11.56994331
          69
 Energy    -249.06549977805776     
  O     13.07310100     11.07440873    -11.76450386
  H     12.83668695     11.70736566    -11.09137650
  H     16.84961537     10.77461712    -15.41291502
  O     15.68339493      7.91099554    -15.69579501
  H     14.04306690     11.00179583    -11.75410046
  H     17.51407188      4.86654424    -14.70082272
  O     14.96826589      4.87260225    -12.28552000
  H     14.77816089      8.23124489    -15.56001626
  H     18.87902685      4.26450854    -15.10742101
  O     18.88556677      5.98372993    -10.34417258
  H     16.26335733      8.66323096    -15.87253314
  H     17.76358073      7.38447614     -9.70777174
  O     15.77389492     11.80133912    -14.57393633
  H     14.09925890      4.46013480    -12.36405549
  H     17.55110411      8.89802213     -9.89371802
  O     11.06472230      6.19046426    -13.02127246
  H     14.88093737      5.63499628    -11.69653417
  H     16.03982713      8.09703099    -13.94355897
  O     13.11063509      8.53180017    -14.94769404
  H     18.39776482      5.24412365    -10.74918752
  H     17.19140876      7.86802827    -12.93217858
  O     14.90293120      7.25674337    -10.89274960
  H     19.55923054      5.59713188     -9.79091529
  H     14.08074008      4.57827872    -15.46677441
  O     19.11950302      9.84253876    -13.38100300
  H     15.87114712     11.59912545    -13.63552144
  H     12.89940848      4.04138266    -14.63373559
  O     11.44793379      6.48130335    -15.85739032
  H     14.82286806     11.75084736    -14.74639580
  H     12.97667454     10.41720698    -14.90286831
  O     18.89021461      7.11009881    -12.92247525
  H     11.51202160      6.95843695    -12.64039576
  H     12.89166052     11.37573406    -13.70733322
  O     17.45067081     10.11075886    -15.79988544
  H     11.02235183      6.34792412    -13.97237621
  H     16.64240987      4.22536701    -11.85054476
  O     18.43425351      4.74130690    -14.41171390
  H     12.50306138      7.90128132    -15.35522726
  H     17.96153570      4.10968906    -12.63141347
  O     17.15324026      8.10708957     -9.51251660
  H     13.01546919      8.42927275    -13.99034210
  H     15.49931338      5.22591439    -14.02193237
  O     16.28507837      8.19028128    -13.01594468
  H     15.51991842      7.51765843    -10.19692769
  H     15.75264242      6.15569612    -15.26781054
  O     13.13682810      4.38052053    -15.50612386
  H     15.34185674      7.55269247    -11.70832353
  H     11.88037421      4.67408104    -12.79467345
  O     13.03541128     11.35103270    -14.66085505
  H     18.59709293      9.97101216    -14.18040758
  H     11.87269505      3.18388338    -12.37226162
  O     17.58939438      4.05909606    -11.74300526
  H     19.22880852      8.88466896    -13.29310218
  H     18.98335005     11.03191070    -10.41595902
  O     15.79947759      5.24432349    -14.94364245
  H     12.05094267      5.71730006    -15.81959931
  H     18.64784825     10.29318206    -11.72988223
  O     12.41156773      3.85722116    -12.77801756
  H     10.86929470      6.34203193    -16.60189061
  H     12.66554773      9.26732862    -11.96105603
  O     18.33166475     10.46915910    -10.82597631
  H     18.99458832      6.78517287    -12.01849706
  H     13.37251670      7.93305959    -11.61179690
  O     12.68285506      8.32424213    -12.16636204
  H     18.82413599      6.33470804    -13.49353756
  H     15.90380601      9.85214883    -12.37014877
  O     15.79290231     10.71848922    -11.95044163
  H     17.87435799     10.52793775    -16.54566089
  H     16.59093315     10.83815244    -11.42299581
          69
 Energy    -249.06510633275565     
  O     10.93786426      8.75280315    -12.88404396
  H     10.03221081      8.48551084    -12.75276568
  H     16.31505493      8.35229470    -18.32200110
  O     16.80905499      8.31410274    -14.80979269
  H     11.49237708      7.98782673    -12.64574645
  H     12.73488746     12.34164180    -12.83438058
  O     16.90992831     10.21082483     -9.41201703
  H     16.58531164      8.26889316    -15.74660400
  H     14.05400572     12.95338436    -13.37281904
  O     15.84981567     12.38114106    -13.43395136
  H     16.11996092      8.84481051    -14.37659462
  H     14.05819307      9.62427905    -14.04065157
  O     13.67959974      7.12599359    -16.28743802
  H     17.28858068     10.55724036    -10.24198676
  H     14.72326191      9.70062783    -12.62459488
  O     17.19272295      7.46052851     -9.19179935
  H     16.96795227     10.91397856     -8.77072916
  H     12.92204079      6.12732660    -13.04686362
  O     16.27032059      6.16085521    -13.16857286
  H     16.47964597     12.48472433    -14.15746955
  H     13.25164353      6.66930432    -11.64969339
  O     14.48724704      9.60457405    -10.81748849
  H     15.48310996     11.48708392    -13.53008291
  H     19.85256751      7.73357224    -12.31649853
  O     17.73398732     12.09346383    -15.51287560
  H     14.41745376      7.49211054    -16.78829055
  H     21.33961216      7.87598580    -12.67906268
  O     18.58940128      6.70375126    -11.60799763
  H     13.21225174      7.88741012    -15.91483141
  H     13.83006274      5.88089571    -15.11714731
  O     15.46409311     11.05423466    -16.95948397
  H     17.14346091      8.42953116     -9.22945379
  H     13.65005248      4.38450044    -14.76358926
  O     15.90177233      8.44146141    -17.46790630
  H     17.48834355      7.23257361     -8.31371161
  H     18.21450213     10.75367698    -12.44165981
  O     13.09764343     12.93608981    -13.50792109
  H     15.53320526      5.70481357    -13.59315156
  H     17.08366357     11.75446669    -12.17410081
  O     14.88861223      9.77907088    -13.57306814
  H     16.51670984      6.88415301    -13.76415731
  H     19.55001599      9.50875491    -13.66364584
  O     12.55799358      6.64785438    -12.32007108
  H     15.23789163      9.92697272    -10.30695467
  H     18.17404279      9.36982216    -14.35479368
  O     20.50385306      8.33231661    -12.72029137
  H     14.54121338      8.63868404    -10.79296991
  H     12.35915455     12.54832797    -16.54113288
  O     13.91000798      5.22610716    -14.39924611
  H     18.40205160     12.67660200    -15.86446481
  H     12.93937369     12.37322661    -15.11701423
  O     17.74881409     11.21123665    -11.73194239
  H     18.20468858     11.38628051    -15.03912573
  H     15.40689562      6.64014396    -11.64345668
  O     18.84208490     10.01742974    -14.08390681
  H     18.18899235      6.93561618    -10.76277733
  H     15.63576109      6.92769999    -10.14467497
  O     12.89688825     11.97232224    -16.00473618
  H     17.86881820      6.37619584    -12.16088316
  H     11.67043940     10.31015376    -12.03283090
  O     14.95019536      6.87313569    -10.82067886
  H     16.19354868     11.46885287    -16.48366467
  H     12.94847968     10.60381277    -11.24022782
  O     12.20305426     11.03253924    -11.68030358
  H     14.64242024     11.42580918    -16.61779277
  H     11.88342514      9.24834646    -14.39424499
  O     12.56091105      9.35545705    -15.07444085
  H     15.71008906      9.38932031    -17.34493707
  H     12.51966813     10.25270223    -15.42942821
          69
 Energy    -249.06501214088280     
  O     11.40312648     13.48072334    -10.87144315
  H     10.89180842     12.66375620    -10.81216148
  H     13.51849011     12.23786325    -12.53818490
  O     14.33846022     10.65061376    -18.25640927
  H     11.98003463     13.40327228    -11.63925385
  H     15.57501503      8.42088127    -12.90572334
  O     11.33844879      9.70465349    -12.56729665
  H     13.95354013     10.69816579    -19.12695294
  H     16.55476052      9.59059496    -12.53614172
  O     14.35362348      9.71496812    -15.69008675
  H     14.32437149     11.55726567    -17.90425036
  H     14.99646081      6.75510481    -14.77441800
  O     13.75359803     11.42420605     -8.92414339
  H     10.68794721     10.09297535    -11.97146968
  H     14.54499442      8.23471445    -14.80703461
  O     14.31836998     13.04424088    -16.89504244
  H     12.19967152     10.01334790    -12.24351577
  H     14.63303400     13.97163229    -11.63395611
  O     12.98363865      7.26153602     -9.59824903
  H     14.77640747     10.47171671    -15.26147670
  H     14.57812106     14.30405391    -10.13677632
  O     13.72735237     10.72125210    -11.65072153
  H     14.36257948      9.89495116    -16.64199802
  H     13.25959109      7.22887178    -12.96263997
  O     11.61034740      9.66849848     -8.89787894
  H     14.64939350     11.23321303     -8.61881766
  H     12.01313987      7.98460459    -12.45129281
  O     17.10517423     12.19049446    -10.64904462
  H     13.59027607     12.36830683     -8.80735707
  H     18.58881318     11.05853319    -13.15083786
  O      9.94668244     11.03393255    -10.52486749
  H     14.93258414     12.80520446    -16.18829318
  H     17.50313562     11.47167775    -12.12279829
  O     13.48838909     13.13874593    -12.90177596
  H     13.48006674     13.21175790    -16.44760783
  H     16.88340430     10.50651890     -7.55467631
  O     15.87090358      9.00130902    -12.19346126
  H     12.75377579      6.40717511     -9.24142069
  H     16.14702294      9.77596524     -8.70605813
  O     14.69385956      7.47104299    -14.22183655
  H     12.85117416      7.20386191    -10.56111738
  H     14.98157344     12.47798430    -13.94920238
  O     15.18910566     14.17686622    -10.87166604
  H     14.47257307     10.13326999    -11.82529604
  H     16.33815530     11.73046757    -14.05890846
  O     12.57923849      7.21898179    -12.28045163
  H     13.74631164     10.95337009    -10.71260773
  H     11.14421497     13.64066517    -15.41703753
  O     17.65289087     11.02075879    -12.97624897
  H     12.34988779     10.27935943     -8.76793947
  H     11.78044755     12.23255218    -15.27628290
  O     16.36603107     10.65378921     -8.34127143
  H     12.00991407      8.81559132     -9.10502859
  H     15.79423368      8.48025092    -10.44409233
  O     15.55417971     11.99516760    -14.55623088
  H     16.48060663     12.92988834    -10.68883364
  H     14.73901933      7.96023154     -9.44696755
  O     11.96377486     13.18965359    -15.23431581
  H     16.91825382     11.70506385     -9.83866263
  H     12.77629268     14.81565236     -8.29190766
  O     15.62099853      8.34683370     -9.50153672
  H     10.49507981     10.52528163     -9.89880716
  H     12.42525574     13.98387084     -9.55065640
  O     13.11571224     14.14985134     -8.88308799
  H      9.05253526     11.00259107    -10.19565983
  H     11.44931699     10.18840488    -14.32026921
  O     11.67271542     10.52995252    -15.19700218
  H     12.93851572     13.15797574    -13.69717794
  H     12.53735132     10.16336442    -15.41990330
          69
 Energy    -249.06501026171119     
  O     14.90063129      8.58016234     -9.52158247
  H     15.55498001      9.23481636     -9.82902679
  H     18.63962401      6.82633495    -15.35281983
  O     15.98732730      4.82979523    -13.42773987
  H     14.67290244      8.81702277     -8.62697054
  H     14.61600581     10.93752053    -14.97502765
  O     15.43496582     12.48719142    -12.06299552
  H     16.13831274      4.70136983    -14.37516287
  H     15.46008932     10.04908644    -15.94239488
  O     17.31151558     11.61393249    -14.07354042
  H     16.82715818      4.79769466    -12.95407859
  H     15.94089470      6.73981967    -13.38960682
  O     10.76831394      8.17868328    -15.10172986
  H     14.70586764     12.05370065    -12.53713811
  H     15.93203578      7.97298335    -14.33742571
  O     12.60165797      6.65008220    -13.60135302
  H     15.15484270     13.38197313    -11.88723914
  H     15.02757590      5.60412229    -10.71380895
  O     13.52952396     11.04317108    -13.43459946
  H     16.79495309     12.05164438    -13.38619711
  H     15.53657485      6.87541282    -10.00219148
  O     12.67908575     10.52916472    -17.14248589
  H     16.69757485     11.48802910    -14.80755993
  H     18.63739724      4.74535418    -11.06341584
  O     16.20435728      4.81907541    -16.13101172
  H     11.06463948      8.00830603    -16.00439608
  H     17.34061817      5.58327998    -11.11563022
  O     15.98174291      8.34895357    -16.09929377
  H     11.26898348      7.57298810    -14.53966967
  H     14.53192973      4.62892867    -12.51369255
  O     13.90739498      6.52410209    -16.14558940
  H     12.81936389      5.87998956    -13.06343363
  H     13.50259150      3.76286012    -11.74904488
  O     18.29011515      6.78339617    -16.26075413
  H     12.89171039      7.40928365    -13.07466285
  H     17.31198075      8.74052509    -12.88733069
  O     15.12734559     10.94823355    -15.79630496
  H     13.56725948     10.21794367    -12.92826896
  H     17.92672917     10.12070927    -13.25164518
  O     15.89890292      7.70268770    -13.40978613
  H     12.65699378     11.07968976    -13.84531811
  H     19.01149772      7.85908828    -13.36153357
  O     15.80996097      6.00623390    -10.32000150
  H     12.08793200     10.78386040    -16.42378760
  H     18.91349816      6.37094250    -12.99617387
  O     18.09138791      5.26465028    -11.64812747
  H     13.56808026     10.76118688    -16.84348801
  H     12.30885377      8.87740806    -17.55494057
  O     13.74754498      4.66584814    -11.93588591
  H     15.38710115      5.31301098    -16.28362588
  H     11.68540012      7.86143573    -18.54271044
  O     18.06569917      9.32471814    -12.71618706
  H     16.93597594      5.42728467    -16.29713196
  H     17.25735260     10.02026669    -11.16595533
  O     19.18944694      6.96969608    -13.69942522
  H     15.25663041      7.71853879    -16.22226994
  H     16.23357434     11.15362890    -10.95914710
  O     12.04233644      7.94632404    -17.66293694
  H     16.81361318      7.88847068    -16.27043618
  H     10.22340124     11.27458786    -14.68435174
  O     16.62257502     10.38063290    -10.53250865
  H     13.26560340      6.91769581    -16.75145052
  H     10.91223873      9.89696963    -14.82875109
  O     11.07518556     10.85606426    -14.77498402
  H     13.50027204      6.52413795    -15.26894742
  H     13.96077389      8.65783910    -11.14166573
  O     13.75475982      8.66752868    -12.08310023
  H     19.04320317      6.82040861    -16.84452939
  H     14.55406778      8.34676021    -12.53468939
          69
 Energy    -249.06488655831606     
  O      0.40858757     -0.21870002      4.95659154
  H     -0.44829492     -0.61891462      5.16243820
  H     -4.60788007     -1.35553596      2.95602425
  O      2.46050200      0.32801620     -2.27933193
  H      0.28280363      0.72285085      5.11082231
  H     -2.92094319      2.82255466      0.24682199
  O     -2.25339122     -0.93526980      5.51649116
  H      1.54537124      0.53069977     -2.04709403
  H     -2.17672681      2.99034283      1.58085917
  O     -0.11624369      0.60717717     -1.05297413
  H      2.53736576     -0.63261068     -2.21190298
  H      0.11286947      2.04202619      2.04960704
  O      2.58731534     -2.44826023     -1.58047436
  H     -2.60588273     -0.04085030      5.60107949
  H     -0.57291531      2.45948328      3.38994641
  O      3.64791119     -1.51677049      0.73940667
  H     -2.84929947     -1.38309422      4.90537362
  H     -2.54941753      2.27231585     -2.27518552
  O     -4.46573467      2.00068144      3.23827385
  H     -0.20637564     -0.35642436     -1.07664193
  H     -1.63798256      1.46200501     -1.32579962
  O     -2.89794161     -3.93991811      1.81915659
  H      0.36515331      0.82344786     -0.24250921
  H     -1.56436413      0.67400261      2.20418133
  O     -0.51413240      2.52071545      5.23355588
  H      3.12017973     -3.15938895     -1.92567520
  H     -2.55209595     -0.05742311      1.24029094
  O      3.89226326      1.22020416     -0.13889985
  H      2.98139501     -2.19005565     -0.72744577
  H      0.75055710     -2.37569598     -1.28917847
  O     -5.75279394     -0.22134779      1.94573034
  H      3.89674012     -0.60616913      0.54009330
  H     -0.18526486     -2.34577059     -0.05266141
  O     -3.78602379     -1.76173364      3.25633043
  H      3.09220284     -1.47513018      1.52966827
  H      1.04039977     -1.77856591      2.41139288
  O     -3.03387832      3.13092745      1.15145266
  H     -4.99104188      1.28992887      2.85704271
  H      1.36476284     -0.83825085      3.59236867
  O     -0.72387767      2.32049791      2.44750099
  H     -4.04339126      2.45654655      2.49504925
  H     -3.63432509      1.89034917      4.72957112
  O     -2.52095622      1.85985436     -1.41578363
  H     -3.28661308     -3.24577958      2.37800736
  H     -3.79847423      2.04669170      6.25833667
  O     -1.92153267     -0.18745565      1.96038908
  H     -3.20114021     -4.77472408      2.16644320
  H      2.30398761      1.32643393      0.83711781
  O     -0.15022688     -2.17607344     -1.00648141
  H     -0.26488960      3.21535714      5.83778572
  H      1.52471945      0.35966413      1.76974935
  O      1.70414442     -1.15762364      2.74203786
  H     -1.44620534      2.31276949      5.41237839
  H     -1.15678793     -3.16780485      1.82250851
  O     -3.16841945      1.81130940      5.58229952
  H      4.60417707      1.81272817     -0.36294156
  H     -0.91990934     -1.64074502      1.82028903
  O      1.43904085      1.15895948      1.22911055
  H      3.45791321      0.96926278     -0.97383183
  H     -2.01584624     -2.54170652     -1.02206396
  O     -0.47321524     -2.49760481      1.71362496
  H     -6.64507711     -0.25671646      1.61175539
  H     -2.97280383     -3.16162678      0.01961503
  O     -2.94627927     -2.60665557     -0.76913978
  H     -5.16488759     -0.17613080      1.17058452
  H     -3.62500212     -1.01767244     -0.40538538
  O     -3.90819482     -0.15487421     -0.06343113
  H     -3.08307911     -1.16820657      2.94491305
  H     -3.55017179      0.53540703     -0.63402396
          69
 Energy    -249.06453171665763     
  O     14.96779832      9.58789565    -16.20823931
  H     15.17436959      9.37734759    -17.12822246
  H     17.18754023      5.17359825    -15.46200694
  O     16.91292998      4.52989162    -13.78782537
  H     14.36867518      8.90233021    -15.88860246
  H     20.05451409      4.92632261    -12.26806073
  O     15.67695439     11.62932781     -9.60738205
  H     17.74697811      4.74143023    -13.34806770
  H     19.74406780      5.99697750    -13.34012487
  O     19.38139239      9.54592678    -14.18199631
  H     16.26705055      5.16068102    -13.44661473
  H     18.63322211     10.65262360    -16.83089572
  O     14.94092435      6.34404822    -17.57946057
  H     15.66147070     11.60069087    -10.57491149
  H     19.24722552     12.06014669    -16.64156323
  O     16.91718174      8.25211678     -8.72678314
  H     15.09931369     10.91359126     -9.31456157
  H     17.82934678      8.66812270    -14.63253918
  O     15.39938920      6.89633147    -13.07736769
  H     19.13026011      9.80344343    -13.28345282
  H     16.42906475      8.81481801    -15.31667837
  O     15.91353365     11.02457773    -12.33306028
  H     19.25907721     10.29879286    -14.77331274
  H     16.79579220      7.03648988    -11.75645442
  O     20.38122300      6.99891732    -14.60676870
  H     15.75044547      5.99806619    -17.17704405
  H     18.27106969      6.58797073    -11.63536563
  O     13.56493878      7.27860513    -15.21595871
  H     14.34858557      6.53629718    -16.84313170
  H     17.31035390     11.19640335     -9.16923323
  O     19.57916408      6.68973301    -17.36311385
  H     17.45614533      9.05280304     -8.70599054
  H     18.65481348     11.40619102     -8.42940942
  O     17.29425622      5.80410164    -16.18745613
  H     17.18843680      7.76713892     -9.51709215
  H     18.14043343      8.91718729    -11.51030854
  O     19.35566735      5.47390484    -12.61628838
  H     14.91095385      7.56068104    -12.56020798
  H     18.47539571     10.23479391    -10.76228844
  O     18.74791966     11.38168627    -16.19469990
  H     16.01898579      7.37071457    -13.65688804
  H     13.83042493      8.90109673     -8.17815934
  O     17.01071104      8.20532476    -14.84580309
  H     16.77451704     10.62724333    -12.14800848
  H     15.24158395      8.77946630     -8.79967276
  O     17.61030817      7.18666876    -11.26283927
  H     15.96073502     11.38802234    -13.22811641
  H     18.86587973      8.43175342    -17.72817118
  O     18.19423955     10.81415873     -9.01700809
  H     20.17189280      7.92904757    -14.43822356
  H     17.53971272      9.04858238    -18.23145779
  O     18.38474803      9.84499165    -11.64053024
  H     20.24550206      6.86748277    -15.55119206
  H     14.14372261      8.93654961    -10.78329745
  O     14.35847240      9.17046431     -8.92460346
  H     12.67084811      7.30775646    -14.88113960
  H     14.72568148      9.66739682    -12.01264130
  O     18.40339660      9.26766856    -17.86132264
  H     14.12618977      7.04335102    -14.46264496
  H     17.04625988     11.74991773    -15.37995563
  O     14.22238628      8.88516832    -11.74323341
  H     18.77865770      6.25182066    -17.02465104
  H     15.63451606     11.13811299    -15.43804810
  O     16.17948207     11.77696897    -14.95868662
  H     19.96177320      6.10221672    -18.01012756
  H     15.38751918      8.76193547    -19.61586714
  O     15.75866468      8.64426989    -18.74549707
  H     17.23247459      6.68131599    -15.77735575
  H     15.45881008      7.77465077    -18.42482279
          69
 Energy    -249.06446232692883     
  O     17.98403320     11.04162499    -13.55605317
  H     18.52083224     10.46154843    -14.11495046
  H     18.02913476      4.62697546    -16.08524623
  O     21.43421795      7.68439798    -13.64821595
  H     17.08123387     10.96548210    -13.88534381
  H     15.27472887      9.10148883    -11.88553675
  O     16.49528486      6.54243400     -9.34183037
  H     20.95073193      6.83951144    -13.64981077
  H     14.64433881      9.81618154    -13.10522150
  O     12.95613126      9.17170018     -9.95434041
  H     22.35572204      7.47723829    -13.77969537
  H     17.39431153      7.68562205    -12.66638747
  O     15.37177590     10.59307000    -14.65548026
  H     15.85408046      7.00270155     -8.78038309
  H     18.14506656      7.97683675    -13.99726030
  O     13.88679590      6.60218157    -12.74163792
  H     15.99784376      5.90945770     -9.87723099
  H     18.29636016      6.12605183     -9.61228655
  O     19.41107379      3.74959066    -11.51367088
  H     13.42928446      9.33381228    -10.78564655
  H     19.59539645      6.70355602    -10.25245069
  O     19.78725415      5.51458242    -13.63833715
  H     12.06920515      8.92605638    -10.20833362
  H     18.64520265      6.79032273    -16.93806142
  O     16.84891887      3.54100761    -12.71694772
  H     14.92450293     11.27495010    -15.15056439
  H     18.90417391      7.70016587    -18.16069180
  O     16.54486823      3.66892711    -15.39696602
  H     15.59145173      9.88990191    -15.29219982
  H     13.98489540      8.40980645     -8.68563209
  O     19.35715172      9.06838285    -14.93656024
  H     14.34198677      6.43849583    -13.57972048
  H     14.45363781      8.48480422     -7.22486986
  O     18.79046163      5.19734473    -16.24710796
  H     13.95978631      7.55182427    -12.58827253
  H     19.90942023      9.03466107    -10.98416758
  O     14.42795545      9.35018209    -12.29015061
  H     19.33249406      4.50614294    -10.90105233
  H     20.78351653      8.10537579    -11.84920106
  O     17.68176750      7.29071410    -13.50000082
  H     19.91199854      3.07814623    -11.06037572
  H     18.48813162     10.79209557    -11.92274049
  O     19.16990525      5.88957768     -9.94702103
  H     18.99584442      6.06235110    -13.50879768
  H     18.83961883     11.34266460    -10.51816678
  O     18.59647025      7.70894047    -17.25836129
  H     19.76585914      4.83164235    -12.95792454
  H     16.30537596      6.58434779    -14.41637839
  O     14.56018095      7.98410260     -8.02968201
  H     16.22754895      3.97663366    -12.12124231
  H     15.77663970      5.35716985    -15.20034634
  O     20.36775092      8.18579005    -10.98424860
  H     17.70648763      3.54954503    -12.27512550
  H     15.68997475      7.75842221    -15.97054648
  O     18.74402491     10.53661175    -11.01745034
  H     16.66982833      3.58027680    -14.43383154
  H     16.84047282      8.37613536    -16.77558618
  O     15.55285755      6.25627197    -14.93520776
  H     16.15933184      2.85178696    -15.69997156
  H     14.27995400      4.32613826    -10.62318944
  O     15.98963515      8.58518393    -16.37545319
  H     19.19431039      8.66577981    -15.79968569
  H     14.55419845      5.48730685    -11.60648789
  O     14.98003713      4.85045510    -11.00450551
  H     20.16412319      8.68156255    -14.57222852
  H     16.74914380      7.89874398    -10.49218649
  O     16.79647215      8.54975881    -11.20457469
  H     19.26795275      5.22379502    -15.40726241
  H     17.45389603      9.21965495    -10.98151040
          69
 Energy    -249.06444648355887     
  O     11.03815974     12.41484293    -11.14855796
  H     10.32092845     12.73536962    -10.60832560
  H     14.06455961     13.18207043     -9.92281334
  O     15.22833796     10.48010718    -12.77694392
  H     11.84826127     12.49413401    -10.61376954
  H     11.85413459     11.92600376    -18.21786673
  O     18.10643117     11.71502268    -14.61792207
  H     14.99112675     11.41718230    -12.76902119
  H     12.15848981     11.56613726    -16.74716933
  O     15.26529285      6.83755356    -12.31872296
  H     16.17054096     10.42990028    -12.57524191
  H     15.70132653     12.51814667    -15.95582797
  O     12.15432795     13.18264895    -13.61801556
  H     18.09258228     11.11453270    -15.37263847
  H     15.07307221     13.87612001    -15.66049033
  O     13.30511465     14.31156307    -15.98887443
  H     17.49377489     12.42496985    -14.84265148
  H     16.78824567     10.35809464    -17.05314436
  O     15.13904503     11.02898884    -16.99221652
  H     16.16857104      7.15992454    -12.21580134
  H     18.15871856     10.06663604    -17.70510181
  O     14.63149889     10.14107821     -9.01742660
  H     14.68258036      7.45182933    -11.85255983
  H     16.17724598     14.76353559    -10.04103220
  O     14.78874255     13.17127218    -12.91061437
  H     13.08043588     13.20895629    -13.33001903
  H     16.24181759     13.22410670    -10.20658270
  O     14.16355475      9.40675949    -15.03931865
  H     11.63736642     13.03915052    -12.81674992
  H     16.60346869      7.32244534    -15.29583533
  O     18.02231488      7.71491290    -12.55557087
  H     13.01200681     13.66327096    -16.64033745
  H     17.55527883      8.43545670    -15.81032239
  O     13.33195078     12.59366448     -9.70853476
  H     12.79030388     14.11657810    -15.19492653
  H     16.24098956     11.07592738     -9.54124951
  O     12.52349838     11.99152980    -17.54155776
  H     14.82623585     10.40758932    -16.31470896
  H     17.37032769     11.26015234    -10.59204389
  O     15.84934781     13.33220649    -15.45662482
  H     14.34226988     11.39892708    -17.38863119
  H     12.59002671     10.30741653    -15.04799706
  O     17.67124061      9.98759976    -16.88840545
  H     14.54228205      9.61671157     -8.22554040
  H     11.93444698     11.65616128    -14.58812649
  O     15.74077036     14.02367875    -10.45306005
  H     14.24969666      9.61873416     -9.74273787
  H     14.93154157      6.66668674    -14.00765534
  O     17.49265090      7.68689287    -15.20556291
  H     15.20976650     13.60053141    -12.15608764
  H     14.39041623      5.88941928    -15.23399056
  O     16.92454215     11.68470038     -9.84564634
  H     15.29898275     13.32636582    -13.71744831
  H     11.13529237     10.67391221    -11.91244241
  O     11.79321804     10.85463444    -15.11547341
  H     14.59042956      9.74393964    -14.23712722
  H     11.28196326     10.02330352    -13.29640607
  O     14.81758175      6.70104883    -14.97561848
  H     14.29738587      8.45246210    -15.06638071
  H     18.08742799      9.53682428    -12.26827235
  O     11.30058796      9.83030936    -12.35376386
  H     18.72007339      7.09580204    -12.35610268
  H     18.11431987     10.92763272    -13.00147970
  O     17.92513135     10.48273999    -12.16066286
  H     17.89977721      7.69724065    -13.52242739
  H     12.76036823      9.07609460    -11.56422193
  O     13.65444507      8.89181132    -11.24421131
  H     13.73440556     11.77425380     -9.39548765
  H     14.23748623      9.46642602    -11.76704841
          69
 Energy    -249.06433156039751     
  O     14.98006535      9.05703212    -10.35474390
  H     15.80410904      9.20454496     -9.87499433
  H     18.70899204      3.98509711    -11.77770837
  O     12.78396054     11.51631780    -15.37792851
  H     14.75261826      9.85371444    -10.85377062
  H     12.60077145      7.03218193    -10.66465526
  O     16.81212306     11.05379710    -13.35278258
  H     12.88877098     12.21311668    -14.71821805
  H     13.73955925      7.80676079     -9.96469964
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  H     12.60860679     10.70631790    -14.88169936
  H     18.01573146      8.53983005    -15.75322325
  O     17.43940002      6.31552850     -9.35267098
  H     17.47711869     10.73447463    -12.72617683
  H     19.39130952      8.02638338    -16.20174775
  O     15.92228143     13.31233830    -14.75325812
  H     15.94926384     10.97370130    -12.92609313
  H     14.42881146     13.50127677    -13.85410925
  O     15.82085583      7.43629406    -12.48973627
  H     13.25066853      5.02986814    -14.27234093
  H     13.32339020     14.30801109    -13.12932239
  O     14.24839613     10.96533891    -12.18582984
  H     13.85551882      4.70129573    -12.88772332
  H     13.41853894      8.74888230    -14.26494682
  O     18.57673022      7.41533835    -12.86446130
  H     17.85170503      5.84142628    -10.08258027
  H     12.28397692      8.52936193    -13.23667545
  O     18.54987158      9.89450457    -11.59233286
  H     16.57966414      5.89679257     -9.21633441
  H     14.17071556     11.58750010    -16.44966152
  O     13.81992987      5.49347781    -15.93590094
  H     16.40558211     12.64315295    -14.24727579
  H     14.73846041     11.94516912    -17.84219779
  O     18.27729747      4.83455929    -11.73560430
  H     15.71075863     12.89533715    -15.59710646
  H     10.72579612      6.79755795    -12.30992827
  O     13.17233267      7.02558438     -9.88852460
  H     15.53296197      7.98640371    -11.75115987
  H     12.12511031      6.26366349    -12.69232864
  O     18.68136805      7.85345896    -15.58776625
  H     16.77884682      7.53253423    -12.58170320
  H     14.49944730      4.51368379     -8.52604999
  O     13.58102551     13.42542642    -13.37966898
  H     13.97100039     11.85514718    -12.43390391
  H     14.21381460      5.75272009     -9.40895774
  O     12.74773951      9.20949158    -13.73937410
  H     13.70183731     10.34935061    -12.69663731
  H     15.25109938      4.71371600    -10.99353909
  O     14.99415865     11.68995529    -16.95995357
  H     18.67877655      7.46780663    -13.82629341
  H     15.55338449      5.69719242    -12.15166562
  O     11.65182864      7.02676099    -12.31274562
  H     18.64861435      6.49419951    -12.58923560
  H     15.44594733      8.52235082    -15.37756003
  O     14.87246364      5.06121421     -9.21098195
  H     18.71725072      9.04141707    -12.01738254
  H     15.15935537      7.67117236    -14.11273954
  O     15.52289973      4.75401139    -11.92055929
  H     18.26426656      9.68531196    -10.69577695
  H     17.51530249      8.05062872     -9.15635306
  O     14.82359210      7.89196693    -14.99559083
  H     14.18892377      6.36121558    -15.70411819
  H     17.79182593      9.24898148     -8.21765458
  O     17.47916114      9.02175811     -9.08920452
  H     14.37110865      5.15342554    -16.63615652
  H     16.18345297     10.40578995    -16.32904442
  O     16.69750906      9.79213935    -15.79033610
  H     17.32929223      4.67380985    -11.87759038
  H     16.80077740     10.21135236    -14.92099486
          69
 Energy    -249.06310912923652     
  O     13.69104299     11.53905848    -10.29116528
  H     12.80503018     11.34441901     -9.95185390
  H     15.06628885     14.59103002    -18.26679161
  O     10.98312075     12.68064410    -14.71277751
  H     13.65955403     12.45270053    -10.60672596
  H     14.49439235     14.57571233    -11.02712802
  O     13.51185955      9.64354939    -12.30839199
  H     11.22768424     13.17286083    -15.50554165
  H     14.05515953     13.66377701    -12.19180699
  O     18.49770464     13.19261582    -14.50733446
  H     11.10527814     13.28059935    -13.96162658
  H     11.85377983     15.62150550    -13.85176788
  O     11.03773836     11.02123359     -9.78447043
  H     14.37721204      9.29248360    -12.55156428
  H     12.04707412     15.54261577    -15.38026961
  O     10.84720072      9.07818123    -11.92418882
  H     13.64483853     10.30387076    -11.61140967
  H     14.15051498     12.27408187    -14.12506381
  O     13.09740062     10.92041457    -14.75923607
  H     18.10439945     13.96489126    -14.06048781
  H     14.82097581     13.69614883    -14.14919145
  O     16.29862318     14.93850840    -10.55985828
  H     19.40736540     13.41299304    -14.68709742
  H     16.23717475     11.60317546    -16.32541551
  O      9.26838577     11.18281439    -13.04346958
  H     10.85909445     10.29644661    -10.39575814
  H     17.21967719     12.72400866    -15.89197461
  O     14.96120179     15.38081286    -14.87482736
  H     10.46976205     11.74669844    -10.07128631
  H     12.90325738     14.16683851    -17.08120120
  O     11.24586866     14.40719752    -12.52857475
  H     11.80055065      9.17797492    -12.08108160
  H     11.50254215     14.40736828    -17.68040108
  O     14.70639262     14.22728424    -17.46180077
  H     10.67426206      8.14077330    -11.88181655
  H     16.76057925      8.34237750    -12.89792687
  O     13.73336889     14.10896053    -11.39017167
  H     12.28559328     11.44404044    -14.76997346
  H     16.49906115      9.86126381    -13.03075019
  O     12.31161634     16.03595072    -14.59492079
  H     13.13263613     10.44819556    -13.91549063
  H     15.79249470      9.52553471    -15.07309589
  O     14.69049826     12.89652246    -13.62291375
  H     16.41901666     13.99349554    -10.35646676
  H     14.58996902     10.27914550    -15.64354207
  O     16.52339147     12.50776381    -16.52063529
  H     16.62550662     15.42538478     -9.80787237
  H     16.14857678     12.01029962    -13.10239391
  O     11.96193534     14.24138633    -16.85993961
  H      9.77397736     10.40888221    -12.76465314
  H     17.66234604     11.97929439    -13.36650329
  O     16.10771037      8.98133340    -13.17206494
  H      9.76825399     11.60131344    -13.75699043
  H      8.45672728     13.22967797    -10.71122736
  O     15.50104975     10.02102581    -15.84509197
  H     14.07732044     15.73264896    -14.68904788
  H      9.20339281     12.34244548    -11.73732912
  O     16.96602611     11.54785381    -12.85744475
  H     14.97495343     15.13920305    -15.80779694
  H     16.94904599     15.19542174    -12.34936248
  O      9.32677288     12.98997739    -11.01931975
  H     10.56333351     14.05111393    -11.94702877
  H     16.46864380     15.45001941    -13.80108293
  O     17.24706790     15.24311133    -13.26512208
  H     12.08210821     14.36279429    -12.04189778
  H     16.74930373     11.92814444    -11.03764531
  O     16.44911279     12.24359938    -10.17458009
  H     15.34604726     13.55750555    -17.15490152
  H     15.56532570     11.87405646    -10.04906936
          69
 Energy    -249.06284786665952     
  O      1.10577013      0.09087022      2.93636735
  H      1.33662192      1.02010185      3.05788651
  H     -2.94074262      0.12848717      3.26294134
  O     -3.39887466      0.40192749     -2.70609109
  H      1.39650010     -0.18254569      2.05270054
  H     -2.72519729      0.49702572      5.26983532
  O     -0.21155065     -1.32868699      4.96417111
  H     -2.47851604      0.68627811     -2.63575135
  H     -2.43770612      0.71161956      6.77340846
  O     -4.39667591      0.60984808     -0.15073618
  H     -3.35809908     -0.56151597     -2.75970987
  H      0.89610885      3.15602895      1.49839857
  O     -3.09728821     -2.43014015     -2.33632179
  H     -0.74747058     -0.63609169      5.36775672
  H     -0.30404149      3.02580565      0.53164141
  O     -0.60343546     -1.84231008     -1.04803577
  H      0.37670143     -0.88902030      4.33494466
  H     -2.89379973      1.64885939      0.09031542
  O     -3.06917225      3.39239778      2.49876931
  H     -4.20771179      0.66595282     -1.09938140
  H     -1.50962635      1.70916259     -0.57822288
  O     -4.21298945     -2.65613173      4.06036153
  H     -4.33835331     -0.33103579      0.06791639
  H     -0.63444870      0.19341680      2.49480317
  O      1.34796920      2.87620373      3.27415174
  H     -3.45114312     -3.18595489     -2.79821675
  H     -1.63304114      0.83958342      1.48663286
  O     -0.68881074      0.82582047     -1.90220300
  H     -3.54441447     -2.39529932     -1.47307427
  H     -3.29244294     -2.32004009      0.67378068
  O     -5.38389673      1.68417204      2.18759217
  H     -1.30743341     -2.13192682     -1.64110040
  H     -4.83124870     -2.53510570      0.73463378
  O     -3.71930732      0.11035013      3.84250443
  H     -0.87943000     -2.13993929     -0.16831033
  H      1.87036776      0.15893926     -0.24489899
  O     -2.02483187      0.69850961      5.91324480
  H     -2.67840673      3.16248131      1.64805296
  H      1.05054369     -1.13940434     -0.17774243
  O      0.63926025      3.21292478      0.56863359
  H     -3.92598923      2.95033883      2.50348866
  H     -1.80596761      3.15189023      3.80734139
  O     -2.02134579      2.06146163      0.16554612
  H     -3.32646073     -3.03198350      4.10980208
  H     -1.37147456      2.23814951      4.98378588
  O     -1.54424295      0.16463713      2.16831532
  H     -4.09354826     -1.69702258      4.04387890
  H      2.61112097      2.21809727     -1.74354391
  O     -4.12062466     -2.14885911      0.20312466
  H      1.95936361      3.41183500      3.77181790
  H      1.52606362      2.33954286     -0.64399197
  O      1.66762277     -0.59490219      0.32304689
  H      0.48312398      2.94480146      3.72085268
  H     -1.08428281     -4.30682851      4.39179263
  O     -1.07347740      2.94965385      4.40692103
  H     -0.64172053     -0.09226055     -1.59692624
  H     -1.00171170     -2.76267953      4.39617330
  O      1.90266289      1.74415659     -1.31753079
  H      0.21543431      1.16207506     -1.89828272
  H     -1.61278433     -1.51977843      1.69257250
  O     -1.47773907     -3.52370564      4.01691702
  H     -6.31491264      1.88728968      2.14301944
  H     -1.56447896     -2.96574962      2.24210379
  O     -1.66005404     -2.45324453      1.43160202
  H     -5.13625269      1.32616069      1.31868219
  H     -5.34220617     -3.05242186      2.76824756
  O     -5.89878046     -3.18765456      1.98126226
  H     -4.40042381      0.62518298      3.39556770
  H     -6.63571731     -3.72002003      2.26600386
          69
 Energy    -249.06226272184432     
  O     19.03796826      9.56309939    -12.43094883
  H     18.65531777     10.31894434    -11.96539919
  H     19.56816074     14.16517606    -14.07816982
  O     14.68598139     15.28311498    -12.31498457
  H     19.71177398      9.92019141    -13.02050617
  H     17.14040620     12.46771124    -10.98169454
  O     19.98706061     13.16292577    -12.62543796
  H     14.24597800     16.11134267    -12.14130279
  H     17.31550497     11.89466618    -12.40936606
  O     16.90800468     12.91591962    -19.32201551
  H     14.10578380     14.77456167    -12.91140582
  H     15.21746783     14.74162857    -17.19364154
  O     20.01891289     12.18997596    -16.26877599
  H     19.25975044     12.81573745    -12.09700076
  H     14.99822360     13.26917887    -16.76510864
  O     15.33754001      9.89907948    -11.75615556
  H     20.44407377     12.38963212    -12.97865753
  H     17.21069817      6.99609511    -12.36982865
  O     16.21532174      8.38043075    -15.44686506
  H     16.32863198     12.36477617    -18.78050207
  H     17.78670776      8.39638572    -12.68660469
  O     21.00704362     10.87664688    -14.04766785
  H     16.62672210     13.82550780    -19.16313661
  H     16.18964871     16.38573710    -18.92823364
  O     19.59650633     12.95804339    -18.92151843
  H     19.99639513     12.37997503    -17.21481735
  H     17.22492422     15.59973085    -18.08925583
  O     13.28526949     13.85604510    -14.12099169
  H     19.72347968     12.99442334    -15.81502026
  H     15.49188698     14.21859634    -11.01944111
  O     17.67753683     10.69450480    -15.99131610
  H     16.02179782     10.50074705    -11.44673803
  H     15.28255742     13.54104631     -9.65876429
  O     19.22030882     14.49485664    -14.91961434
  H     15.80963232      9.11915899    -12.07648811
  H     15.99953837     15.16178803    -13.67437368
  O     17.64749435     11.82613887    -11.49861889
  H     16.46005927      8.10425781    -14.55536453
  H     15.93510248     14.72892153    -15.17035383
  O     14.83812615     14.18631062    -16.50016042
  H     16.85101334      9.06515529    -15.69823182
  H     13.82694340     10.57632654    -14.51436328
  O     17.00231259      7.82692886    -12.78863388
  H     20.72640423     11.27454247    -14.88775539
  H     14.29058054     10.66315920    -13.01901433
  O     16.31334863     15.58088168    -18.43244728
  H     21.92413472     10.63480979    -14.15411002
  H     13.22986254      8.91471427    -16.39602266
  O     15.91534859     13.64227148    -10.36679478
  H     20.04562928     12.83125370    -19.75286871
  H     14.67847636      9.03882461    -15.85878868
  O     16.53619193     14.88791639    -14.42737027
  H     18.64365224     12.86522606    -19.10100001
  H     16.56618241     13.08680189    -14.13307965
  O     13.94866504     11.17559856    -13.76749929
  H     13.63975618     14.01292868    -15.00527017
  H     15.63484802     11.84513290    -13.93566728
  O     13.86936992      9.54146827    -16.06966427
  H     13.37336247     12.90578301    -13.95906979
  H     19.10334070     15.23967589    -16.64896491
  O     16.55655333     12.13462099    -13.97795317
  H     18.52717240     11.10470347    -16.18342055
  H     19.26164124     14.67174085    -18.07306489
  O     18.88754593     15.40875854    -17.57530401
  H     17.33213820     11.15356420    -15.20864471
  H     16.25300074     11.28574823    -16.93693279
  O     15.41571154     11.57231902    -17.33210527
  H     18.29467518     14.72223770    -14.75189964
  H     14.76127186     10.92039832    -17.05744060
          69
 Energy    -249.06215814250135     
  O     14.77844628      8.53537542     -9.47957267
  H     15.47398484      9.15402781     -9.77288936
  H     18.62113081      6.80298055    -15.29756221
  O     15.94490806      4.87708228    -13.39893125
  H     14.51235368      8.81362368     -8.60793767
  H     14.63134535     10.92363756    -14.90907074
  O     15.57419080     12.22641608    -12.06283478
  H     16.77450359      4.83131827    -12.90875236
  H     15.50724726     10.03424949    -15.86299475
  O     17.44973233     11.73108054    -14.22289995
  H     16.10950221      4.72691654    -14.34063856
  H     15.91197179      6.78734931    -13.34495125
  O     10.74033703      8.14709466    -15.19229351
  H     16.25794642     12.21171144    -12.74293942
  H     15.90109916      7.99385813    -14.32125781
  O     12.56748511      6.65501919    -13.63925291
  H     14.76618040     11.93753373    -12.50640119
  H     14.92567918      5.58577986    -10.70334386
  O     13.47059873     10.97590874    -13.51467329
  H     17.97709175     12.39347451    -14.66257993
  H     15.41642042      6.84622983     -9.96085456
  O     12.80015544     10.52788021    -17.13178933
  H     16.71031604     11.52322582    -14.81789691
  H     17.25021027      5.59132832    -11.06072280
  O     16.19487408      4.80131086    -16.10117808
  H     11.07059279      7.98588171    -16.08465656
  H     18.54991437      4.76000213    -10.98758495
  O     15.97919891      8.34054354    -16.09556933
  H     11.24156407      7.55853480    -14.61269441
  H     14.46917086      4.64039561    -12.52206952
  O     13.91242549      6.51690482    -16.14992995
  H     12.76448315      5.87895488    -13.10196243
  H     13.43636422      3.74503070    -11.79680832
  O     18.28412902      6.76696220    -16.21055267
  H     12.84570806      7.40756085    -13.09657960
  H     17.28359717      8.81159912    -12.90196973
  O     15.23898635     10.94494395    -15.66489999
  H     13.48746471     10.18260816    -12.95983573
  H     17.94547554     10.16949012    -13.26201543
  O     15.87884056      7.75032093    -13.38632739
  H     12.59150850     11.02388792    -13.90878774
  H     18.97659322      7.84624302    -13.32423460
  O     15.70154790      5.98721566    -10.29677076
  H     13.66897953     10.78202156    -16.79931998
  H     18.86307411      6.36642245    -12.92946311
  O     18.01728862      5.28639005    -11.57825249
  H     12.17031845     10.77457024    -16.44227199
  H     12.39799723      8.88682764    -17.57984200
  O     13.66984711      4.65483905    -11.96431008
  H     15.38000369      5.29684167    -16.26255159
  H     11.77431172      7.90526581    -18.60155886
  O     18.06765672      9.36136398    -12.74806625
  H     16.92849275      5.40848334    -16.26095787
  H     17.28122393      9.90001725    -11.06009386
  O     19.15493648      6.94899178    -13.64004179
  H     15.25285058      7.71105546    -16.21642262
  H     16.21234711     10.98714246    -10.88140068
  O     12.11250557      7.96481996    -17.71229801
  H     16.81074929      7.87206613    -16.24561551
  H     10.18457978     11.25936346    -14.80184547
  O     16.61825770     10.22570463    -10.44109396
  H     13.48765148      6.52335413    -15.28142666
  H     10.86127597      9.87375129    -14.93990716
  O     11.03099419     10.83208268    -14.90034071
  H     13.28710687      6.91294681    -16.77125138
  H     13.87416359      8.63974498    -11.12077045
  O     13.68286697      8.64418916    -12.06534118
  H     19.04698183      6.74966795    -16.78238118
  H     14.50187143      8.35842206    -12.50356931
          69
 Energy    -249.06193136466663     
  O      3.67376866      0.00475917     -0.41912395
  H      2.93247648     -0.61717287     -0.48034923
  H     -1.20066295     -1.67334542     -2.25658417
  O     -0.69970610      2.06838137     -2.01420028
  H      3.75413919      0.41393158     -1.28933969
  H      0.32712613     -2.98707651      2.18421211
  O     -0.08998926      0.52702125      0.25330028
  H     -0.44512990      2.98167049     -1.83233153
  H      1.56559241     -2.08478911      2.34231685
  O     -2.64973160     -1.04617686     -1.50263259
  H     -1.66399326      2.01789437     -2.04137981
  H     -4.22371159      1.03867985      3.61184522
  O     -3.25042586      2.66887795      0.67468195
  H     -0.31802445      1.06645028     -0.51463737
  H     -2.69354492      1.17692031      3.42468818
  O     -3.44630697      1.68757053     -1.80268094
  H      0.48168448     -0.19148925     -0.04789975
  H     -0.41551392      4.25345996      0.37945897
  O      0.97398645      1.94678574      2.30284698
  H     -2.64386027     -1.11343651     -0.53886043
  H     -0.19693853      3.42535321      1.66154313
  O      4.74320580     -0.48984458      2.10891274
  H     -2.98878295     -0.16347576     -1.69422847
  H      4.22870875      2.15510745      1.75681231
  O      2.16497566     -0.56072613      3.23839218
  H     -3.44607824      2.16222499      1.47061720
  H      3.48024683      1.49516923      0.59552308
  O      3.46172249      1.30871996     -2.88611321
  H     -2.44964937      3.17740858      0.86882771
  H     -1.75532262     -2.20333972      2.32211484
  O      0.31981896      4.58509736     -1.33488777
  H     -4.21883217      2.04947889     -2.22698653
  H     -2.08291469     -3.55061806      3.00699654
  O     -0.37058266     -2.01396992     -2.63482625
  H     -3.43091159      2.04185710     -0.89297640
  H     -0.83685727      0.47501068      4.49998180
  O      1.19950234     -2.80746552      1.81376343
  H      0.55257323      1.44598906      1.58322029
  H     -0.41093884      1.67937789      3.63416625
  O     -3.53337848      1.01354576      2.95565338
  H      1.84028130      2.22081715      1.97688117
  H      0.58368359     -0.46207064     -3.28862864
  O     -0.84731872      3.95526346      1.18965115
  H      5.42731462     -1.15368563      2.16191015
  H      0.37475379      1.03760256     -3.02930613
  O      3.50357741      2.29378104      1.14846284
  H      4.49197939     -0.43691403      1.17320223
  H     -0.57359471     -1.81310294      4.29261203
  O     -1.40230120     -2.88942195      2.91353818
  H      1.77463926      0.28373279      2.98581421
  H      0.75641546     -1.05610943      4.46375657
  O     -1.14643566      1.32045419      4.14149437
  H      3.09221373     -0.53259494      2.96820881
  H      1.36382988     -2.16412221      0.20964327
  O      0.98298167      0.40208838     -3.43467171
  H      2.58349143      0.95669191     -3.12149171
  H      0.89448840     -1.90122081     -1.27698140
  O     -0.12588871     -1.15906366      4.84296180
  H      3.97749630      1.32049389     -3.68769964
  H      3.12750264      3.31089693     -0.40938161
  O      1.48799184     -1.60777405     -0.57626020
  H      1.24525287      4.28121518     -1.33058563
  H      3.06376725      2.87837214     -1.88955391
  O      2.82689466      3.59061347     -1.28269211
  H      0.31524210      5.45426484     -1.72644001
  H     -2.80739121     -0.25734993      1.83691048
  O     -2.27779707     -0.85392568      1.29197945
  H     -0.60522528     -2.76723805     -3.17020411
  H     -1.51740591     -0.34329900      0.97588777
          69
 Energy    -249.06190152992465     
  O     15.90781505     10.45310032    -17.09207102
  H     16.34922658      9.81923655    -16.50567621
  H     19.34600619      6.31309228    -13.26644035
  O     16.32930394      5.51989708    -13.49258424
  H     15.06655741     10.67024718    -16.67640238
  H     20.78294475     11.01475934    -18.26241900
  O     19.95676747      9.22254606    -15.30301551
  H     16.49744764      5.57211677    -14.44518109
  H     19.42472947     11.16897783    -17.53626664
  O     14.57196297      6.61126130    -17.78522299
  H     17.16254981      5.73851224    -13.06146167
  H     17.07539747      7.74353978    -15.68910473
  O     18.05861458     11.15241463    -10.02792895
  H     20.13081035      9.70111935    -16.12406767
  H     18.14956035      8.83697425    -15.40192762
  O     15.86340226      9.02083263    -13.04391446
  H     19.99859422      9.84790447    -14.56901225
  H     14.08171023     11.23329244    -14.76538801
  O     17.76707247     12.53593588    -14.24661558
  H     14.15054331      7.13698478    -17.08120142
  H     12.86014800     11.48912016    -15.67667316
  O     20.09844781      6.50621705    -14.80430415
  H     13.87761197      6.11465320    -18.20959746
  H     18.50854177      7.96241042    -11.80941325
  O     14.05636119      6.90940658    -13.14675769
  H     18.09312672     10.28316372    -10.45387863
  H     17.32206981      8.92551922    -12.05163522
  O     19.25396376      5.67202648    -17.40446675
  H     18.02000437     10.98239570     -9.08908073
  H     13.61741813      7.64039796    -14.84627532
  O     16.77212916      5.99533093    -16.18385967
  H     16.31827039      8.87877883    -13.89012027
  H     13.48053250      8.97298492    -15.62642272
  O     18.90242857      6.24903165    -12.40083831
  H     15.18120861      8.34339648    -12.96847332
  H     19.16856764     10.08206871    -12.53893021
  O     20.13974968     10.53965087    -17.74400569
  H     18.38600742     11.90963014    -13.85001024
  H     20.11355641     11.27909391    -12.33897833
  O     17.20146899      8.65555048    -15.39591313
  H     16.88114950     12.17144086    -14.11951000
  H     17.20537469     13.21704220    -12.34003716
  O     13.58641318     10.88864852    -15.52834072
  H     19.88337778      6.10758890    -15.65498102
  H     17.11411127     12.45413070    -11.00408551
  O     18.19879488      8.86096140    -11.64248848
  H     20.18237881      7.45496663    -14.97770451
  H     19.39330507      8.88837752    -18.41198525
  O     13.50277488      8.01446007    -15.72819386
  H     14.83884483      6.33453623    -13.24206369
  H     18.07224510      8.20688622    -18.85790661
  O     19.65177081     10.77993638    -13.00993869
  H     13.45604815      6.46656082    -12.55386792
  H     15.45068668     12.17447561    -12.68255528
  O     16.62920820     13.05710231    -11.58441835
  H     19.64437697      5.04948149    -18.01085787
  H     15.36588083     10.70843786    -13.19329076
  O     18.99737512      8.03729803    -18.62339287
  H     19.21430420      6.53007645    -17.86831724
  H     18.06624982     12.43498715    -16.09954305
  O     15.14510020     11.62544777    -13.41767096
  H     16.04695717      6.09821362    -16.81365494
  H     17.29780309     11.65667948    -17.17778894
  O     18.11485538     12.15013170    -17.02096383
  H     17.57841514      5.78148814    -16.67086394
  H     16.11603675      9.28535779    -18.52596990
  O     16.31084670      8.50787895    -19.06695017
  H     19.37354963      5.58478273    -11.90405973
  H     15.69803385      7.83020907    -18.75974979
          69
 Energy    -249.06186061388522     
  O      2.15548338     -2.31708853      4.81267837
  H      2.33039762     -1.36657913      4.80558159
  H      0.06187832      1.62091170      1.34267381
  O     -3.62079865     -2.59236271      6.34994437
  H      1.69965111     -2.53481783      3.98750894
  H     -0.59361165      1.45833549      4.60105175
  O     -1.37119835     -0.08750031      9.08277669
  H     -3.67824433     -1.67698887      6.64244654
  H      0.21936319      2.26689947      3.53550809
  O      0.28935609     -5.26062123      6.72674312
  H     -2.94796741     -3.00464796      6.91278663
  H     -1.10543872     -0.40185416      1.32252306
  O      0.65397979     -2.76827492      2.56199903
  H     -0.50426049      0.21644055      8.79857593
  H      0.21023312     -0.41682779      0.51070752
  O     -0.58205230     -4.78295417      4.13843398
  H     -1.20031578     -0.89895244      9.57819476
  H      0.63512130      3.71894012      7.26820353
  O      2.80487111     -3.84292192      6.98102755
  H      0.04187732     -5.18282675      5.79186032
  H      0.39476148      2.68781930      6.14863404
  O      1.93623161     -2.15339041      9.13046012
  H      1.17927620     -4.90356700      6.81507975
  H      2.88202635      0.62502382      3.14617576
  O     -0.49954597     -2.52966158     10.25093066
  H      1.12636746     -2.40031910      1.80554256
  H      2.13354931      1.38743446      2.03329403
  O     -1.79526295     -1.40503659      2.73695400
  H     -0.17774731     -2.27844015      2.63556205
  H     -0.60466805     -2.24523700      6.76081256
  O      1.93245830     -1.30116441      0.55715172
  H     -0.07932698     -4.25985217      3.50309548
  H      0.54908390     -1.99632873      5.73181814
  O      0.51405501      2.39093148      1.73315173
  H     -1.48773333     -4.45640488      4.07879987
  H     -3.38003871     -3.20023195      4.74724561
  O      0.16434507      2.04890372      4.47346346
  H      2.65919042     -3.33210162      6.16683878
  H     -3.93610072     -4.08363547      3.60669049
  O     -0.55821759      0.12618289      0.72547069
  H      3.65473388     -4.26721956      6.88926634
  H      1.06111318      1.15935119      7.59823458
  O      0.56283105      2.78322352      7.09979851
  H      2.26147221     -2.75123395      8.44623037
  H      0.73795996     -0.33496273      7.21227384
  O      2.79751767      0.70327299      2.18909402
  H      1.88758396     -1.27503683      8.73017057
  H     -2.71882785      0.07065139      7.93811472
  O     -0.15868419     -1.57249492      6.22994147
  H     -0.43644457     -2.88845449     11.13146125
  H     -4.12632416      0.65197166      7.68606704
  O     -3.18619667     -3.55169623      3.85955834
  H      0.41125067     -2.44077982      9.91504821
  H     -0.88807687     -4.22321562      7.48749773
  O      1.30202370      0.23456779      7.76054737
  H     -2.34449145     -2.15796903      2.99259074
  H     -1.20464146     -3.27761108      8.69503371
  O     -3.42879278      0.14673667      7.27687348
  H     -1.86247115     -0.77085645      3.46398892
  H      1.63865663      0.99111245      4.79078787
  O     -1.45838773     -3.49932872      7.79234653
  H      2.55472314     -1.47020363     -0.14482247
  H      2.40364493      0.43937143      5.99644714
  O      2.41050021      0.45814275      5.03408816
  H      2.32843279     -0.61953860      1.12909688
  H     -2.47916843      0.34765528      5.66246802
  O     -1.79103015      0.20710229      5.00224451
  H      0.40324220      3.11534835      1.12369544
  H     -1.20479842     -0.46432725      5.39011266
          69
 Energy    -249.06172584650324     
  O     12.01499671     11.11700257    -15.02792296
  H     12.79749075     11.60170807    -15.31461265
  H     18.00944280      8.00028326    -13.41477321
  O     17.95697034      9.88612467    -13.29477740
  H     12.05344729     10.26048346    -15.47570094
  H     15.02342888     10.97442440    -17.06676787
  O     17.35038223      9.21447212    -15.97669499
  H     18.20460112      9.80558742    -12.36409698
  H     16.18577241      9.97116961    -17.14806574
  O     11.46586440      6.49777508    -14.52284265
  H     17.11108867     10.35653262    -13.29397630
  H     15.63124997      8.69422872    -15.24151240
  O     16.04459264     10.47779269     -9.31335724
  H     17.73522768      8.34580498    -16.15426612
  H     14.06101410      8.69605138    -15.21975899
  O     13.98535040      7.92116316    -10.85760904
  H     17.72324736      9.52857564    -15.14299467
  H     11.60071026     11.01066598    -13.35273632
  O     15.37876029     10.94509797    -13.41636679
  H     10.67942720      5.96045177    -14.49643221
  H     10.59943666     11.39730319    -12.23884477
  O     15.56919376      5.95685217    -16.84427338
  H     11.46773482      7.03841408    -13.71018920
  H     17.69369515      7.73941186    -10.08687247
  O     15.14737082      7.96496766     -8.28147571
  H     15.30614812     10.75741836     -9.86954410
  H     16.79571229      6.55043948    -10.49420053
  O     18.13820906      6.55491288    -16.26627079
  H     15.71672936      9.72006667     -8.81197148
  H     12.38410537      7.90884755    -11.77106815
  O     14.22923207      5.90059277    -14.35244848
  H     14.63096353      7.37083691    -11.32213206
  H     11.44245974      8.98776000    -12.34585894
  O     17.98845705      7.03549497    -13.44421811
  H     14.21969308      7.88789841     -9.92185645
  H     16.61298367      6.47110094    -12.54574974
  O     15.37632084     10.25284881    -17.59939116
  H     14.91019044     11.00980934    -12.57469783
  H     15.23303633      5.81652562    -12.73726336
  O     14.85434035      8.58601584    -14.67755450
  H     15.13696092     10.08121761    -13.78809152
  H     19.06797110      9.85786164    -10.00994091
  O     11.39165169     10.89467649    -12.40831644
  H     15.04948965      6.58230668    -17.36244673
  H     17.52885939      9.95591097    -10.10459732
  O     17.20380900      6.98709627     -9.73420935
  H     15.07301182      5.78588082    -16.03259301
  H     14.55443061      8.81332057    -18.11374137
  O     11.60653583      8.03790500    -12.33104729
  H     15.92125658      7.55147292     -8.70775646
  H     13.94989661      7.93017285    -19.23191188
  O     15.81840037      6.18468048    -12.06549851
  H     15.03158645      7.53460806     -7.43938061
  H     13.00560470     10.88291665    -11.46331869
  O     18.31765139      9.56921272    -10.52434914
  H     17.23965698      6.26662641    -16.50907519
  H     13.95226295      9.72726971    -11.06368275
  O     14.09132919      7.97349760    -18.28987781
  H     18.74732370      6.00669637    -16.75247260
  H     14.90358426     11.87663196    -14.86625464
  O     13.88762971     10.69354653    -11.12034026
  H     14.51763986      6.82817362    -14.35087451
  H     14.83155155     13.15836292    -15.72642607
  O     14.54919267     12.24757446    -15.69226443
  H     13.26602709      5.92477846    -14.39094912
  H     12.03938042      7.82576273    -15.68790654
  O     12.43771468      8.59028273    -16.12466079
  H     18.11808524      6.78611903    -14.36637022
  H     12.85044534      8.29486370    -16.94623870
          69
 Energy    -249.06147531901505     
  O     11.85429442     10.10019994    -10.94333121
  H     12.17131957     10.65611693    -11.66489569
  H     15.51443574      5.78370110    -16.89362853
  O     13.76258939      7.12227407    -14.80672119
  H     11.37991018      9.36963995    -11.36069209
  H     17.34388087      6.18005071    -15.53623845
  O     17.69619199     11.44594858    -11.27763095
  H     13.96107482      6.57668535    -15.57634886
  H     17.36929511      7.01492873    -16.84665641
  O     17.44417842      8.74277314    -17.63474384
  H     14.52114955      7.70632188    -14.65265583
  H     14.06807343     11.61917572    -16.07471294
  O     11.83309978      9.06186251    -14.60625597
  H     16.81163074     11.09165327    -11.47651075
  H     14.46515215     13.11083597    -15.94052786
  O     16.42912217      7.09013534     -9.85734007
  H     17.56906968     12.21574899    -10.72961467
  H     16.22034605      9.34629853    -14.75046963
  O     13.40036269      6.43261689    -12.17557205
  H     17.31667135      9.48122587    -17.01500802
  H     15.71919452      9.21686786    -13.29007728
  O     15.30987166     10.29448311    -11.89039645
  H     18.07187345      9.04038271    -18.28868464
  H     18.89384189      7.45188916    -13.32069040
  O     14.60785228      8.43917546    -18.03866767
  H     12.49440309      8.37558927    -14.78686645
  H     20.42744992      7.63174566    -13.28001741
  O     15.90764175      5.18560240    -11.65577043
  H     11.28298585      8.69376982    -13.90651038
  H     10.16532263      7.15562655    -12.00046684
  O     16.94533380     10.66598560    -15.78087597
  H     17.17230289      7.68671709    -10.03043918
  H     11.69935319      7.17699956    -12.15839113
  O     14.55902088      5.72654331    -17.07852126
  H     15.63903165      7.63695692     -9.77184434
  H     18.49942179     11.10172314    -12.94312252
  O     17.15990984      6.14450554    -16.48343774
  H     13.49787181      6.62851595    -13.12028190
  H     19.13605558      9.87211623    -13.61721983
  O     14.60904047     12.24853343    -15.55925709
  H     14.16127457      5.88402023    -11.94960594
  H     16.86763073      7.30084346    -13.81019719
  O     15.86793419      8.72112856    -14.10568314
  H     14.56008623     10.68738483    -12.35928972
  H     16.95131294      5.96358083    -13.03222979
  O     19.60301122      8.08106615    -13.11010786
  H     14.94711836      9.66285854    -11.25448106
  H     18.96440771      8.52276215    -11.35373107
  O     10.89704591      7.71513540    -12.25044149
  H     15.56295114      8.57046924    -18.01540421
  H     18.30342081      9.72899043    -10.67421864
  O     18.78897682     10.75475868    -13.79643840
  H     14.47400368      7.50755964    -17.83065186
  H     13.58526539      9.72027764    -17.28616403
  O     17.41287841      6.50806883    -13.68046279
  H     16.14471595      5.83558585    -10.96648705
  H     12.48982662      9.97086601    -16.21298865
  O     18.49745172      8.79209736    -10.55414900
  H     16.07189137      4.32197515    -11.28673950
  H     13.79364857      7.76570248    -10.90977990
  O     13.10872760     10.41285967    -16.80412451
  H     16.23419163     11.31015447    -15.68363806
  H     13.24030135      9.07901517    -10.31013980
  O     13.99870447      8.47722730    -10.28782414
  H     17.62450991     10.82173726    -15.10407876
  H     13.61255625     11.69551801    -14.01680727
  O     13.14916140     11.19936422    -13.33119717
  H     14.41317622      4.90717278    -17.54227549
  H     12.69198662     10.47784915    -13.78733494
          69
 Energy    -249.06128083890448     
  O     20.87825504      8.81348827    -13.06665278
  H     21.22104531      7.96859405    -13.38272622
  H     16.71191215      8.91392695    -10.75195972
  O     21.79114888      6.13159834    -13.54772178
  H     20.12477659      9.04148248    -13.62650804
  H     16.70001933      6.79293495    -13.63737418
  O     18.01112713      5.32851836    -11.15087714
  H     22.69111593      5.82300815    -13.60843714
  H     17.92467808      7.76209204    -13.67468610
  O     14.45458667     10.02822117     -8.84219853
  H     21.48128723      5.92352825    -12.64707723
  H     14.91396466      7.25764958    -14.76141759
  O     16.20040133     10.56818190    -13.57600216
  H     17.85993391      5.89211153    -11.92717190
  H     15.08531102      5.69346890    -14.63405968
  O     13.02972269      7.74375108     -9.12212421
  H     17.15264179      5.14954520    -10.73306281
  H     19.86892956      5.46798136    -11.01971749
  O     17.66872968      3.50813804    -13.51059765
  H     13.94452729     10.73965848     -8.46576297
  H     20.79880441      6.65178130    -10.67709891
  O     15.55588855      5.13627681    -10.08241904
  H     13.85854043      9.25965186     -8.91230128
  H     17.83606498      8.64372000    -17.91914225
  O     15.72855667      4.10773297    -15.35391929
  H     16.09539927     10.16954666    -12.69540450
  H     17.60558407      7.42154691    -17.00073727
  O     18.51445663      9.28720739    -14.51447779
  H     15.95754246     11.48689570    -13.49142504
  H     15.77437753      8.94512308     -7.90907314
  O     17.62773348      5.69944838    -16.83358356
  H     13.43657892      7.09252277     -8.53649019
  H     16.99901925      8.11026822     -8.32937338
  O     15.95867176      9.40129909    -11.11540147
  H     13.26030255      7.47149313    -10.02169232
  H     20.30320055      5.52877930    -14.45394392
  O     17.61755139      6.90582688    -13.35478751
  H     17.71505477      3.84282809    -12.61015242
  H     18.80082568      5.86910547    -14.28576596
  O     14.96066673      6.51347234    -14.14203436
  H     18.41269885      3.92121048    -13.97234324
  H     21.29121114      9.10746526     -9.95339012
  O     20.78838336      5.76493920    -11.05713131
  H     15.28324521      5.30234557     -9.17282689
  H     20.72443748      8.73104411    -11.34494659
  O     17.61294478      8.39535399    -17.02611300
  H     15.05929856      5.76477283    -10.62435852
  H     14.84580987      7.91859119    -11.46214590
  O     16.34694756      8.22281459     -7.62439088
  H     15.24353591      3.32819300    -15.61177090
  H     14.36078539      6.86944051    -12.48828994
  O     19.42052255      5.29556528    -14.76325939
  H     16.36318869      3.82783943    -14.67089149
  H     15.93090319      8.71530610    -16.20112162
  O     20.63674105      8.56793233    -10.38819721
  H     17.79432930      9.85442315    -14.20855209
  H     15.40700682      9.45835134    -14.95670210
  O     14.27038104      7.14998024    -11.56729434
  H     18.30373330      9.02627764    -15.42142767
  H     15.33122308      6.79301569     -7.47909284
  O     15.16421029      8.80122700    -15.62033491
  H     16.90755542      5.15551407    -16.49571637
  H     14.66453202      5.66398601     -6.65740010
  O     14.70183415      6.05147228     -7.52742584
  H     18.38548566      5.49727620    -16.26561501
  H     17.96106103      7.01602734    -10.21696923
  O     17.98260109      7.92803231     -9.90457482
  H     15.45101742      9.73973707    -10.36566106
  H     18.89299390      8.23503327    -10.00841133
          69
 Energy    -249.06065475675453     
  O     12.98723347      3.13516481    -11.82755704
  H     13.15173667      3.23239804    -10.88022825
  H     10.02438506      3.35191341    -12.83419083
  O     12.95748251      3.46951989     -9.00419966
  H     12.91076013      4.02004764    -12.20434840
  H      7.81289937      7.89602458    -11.05209635
  O      8.66538225      6.41884852    -14.41553205
  H     12.42637450      2.97230515     -8.37374421
  H      8.33632291      6.64627470    -10.31523411
  O     14.76356378      7.78839780     -9.02796019
  H     12.38397110      4.21040378     -9.26514631
  H     10.43520912      5.35063459     -9.97496148
  O     12.73819600      6.22024288     -5.64858228
  H      9.49414642      6.82911951    -14.69253698
  H     11.72094561      6.25548914     -9.96132826
  O     10.64714289      1.77715893    -11.97606535
  H      8.92199071      5.56528771    -14.04219607
  H     10.78389050      5.56692152     -7.83979605
  O     10.78876927      2.77413691     -7.21122616
  H     15.67834618      8.02423013     -9.15630529
  H      9.74426513      6.23569228     -6.93253033
  O     12.24793357      5.73037524    -12.94062604
  H     14.75459791      6.91369999     -8.59757039
  H      9.74441320      2.46324591     -8.81800563
  O     10.52620826      9.14456561    -10.28283427
  H     12.68217832      6.06134575     -4.70990575
  H      9.70738695      2.12810171    -10.33389574
  O      7.43384334      8.28138461    -12.86263351
  H     11.87937331      5.97170520     -6.03014929
  H     12.91402454      7.92076724     -6.46516149
  O     10.04818880      9.44234238    -13.04296266
  H     11.52785989      2.19097850    -11.93090662
  H     13.61208378      8.52156896     -7.69953565
  O      9.85365663      4.26736381    -13.08526200
  H     10.76237461      0.93016287    -12.39865988
  H     14.00347678      5.61375110     -6.94433463
  O      8.20545618      7.60212362    -10.22090774
  H     10.56979430      3.70015592     -7.01880514
  H     14.12835635      4.67229932     -8.16255973
  O     11.26880595      5.52697195     -9.51982483
  H     10.55080807      2.27307268     -6.43447897
  H      9.04498406      4.78526905    -11.54465542
  O     10.41944858      5.54252827     -6.94029676
  H     12.00467626      6.31083703    -13.67360757
  H      8.75876839      4.10186288    -10.18309616
  O      9.17957783      2.46681291     -9.59882049
  H     12.45572411      6.33045977    -12.21026220
  H     13.41839049      7.67304209    -10.27590754
  O     12.96475588      8.71478237     -7.01113769
  H      9.74096352      8.57682513    -10.26274538
  H     11.98026394      8.17077701    -10.66426636
  O     14.53645398      5.43242784     -7.72847472
  H     10.58787977      9.54653445     -9.40835399
  H     10.58149340     10.76990400     -7.14520557
  O      8.79403119      4.96172278    -10.62797636
  H      7.79566413      7.56732167    -13.41788041
  H     11.47799034      9.52569186     -7.35421786
  O     12.65414734      7.49728589    -10.83875240
  H      6.60119218      8.53473169    -13.25203940
  H     11.59142220      8.12995357    -15.48978144
  O     10.62513957      9.93012431     -7.59430961
  H      9.11452320      9.19642374    -13.02798875
  H     10.88462386      8.34635909    -14.13166764
  O     11.22846076      7.66689676    -14.73941470
  H     10.30823130      9.50753317    -12.11533679
  H      9.35116547      8.49120519     -7.37661235
  O      8.79111203      7.70561675     -7.40023565
  H     10.69899975      4.73721556    -13.02561136
  H      8.42586723      7.67831656     -8.29371942
          69
 Energy    -249.06064931994092     
  O     12.93297576     13.10547020    -15.04052566
  H     12.88003348     12.33490290    -15.62111996
  H     16.54876025     10.38640264    -13.97369878
  O     17.69154076      6.60722578    -13.63899404
  H     13.75138307     13.55297957    -15.28384382
  H     15.73700804      9.04991283    -18.45413190
  O     19.09485495     10.63138461    -12.44844333
  H     16.86841623      6.10884689    -13.56893342
  H     16.95523096      9.29860595    -19.37637347
  O     15.12823755      5.32841319    -13.51246535
  H     17.67225564      7.03528162    -14.50386876
  H     14.64401314     10.99704009    -12.72674939
  O     15.39572962     10.97692461     -9.24746286
  H     19.02953234      9.74473957    -12.07515370
  H     15.38894074      9.71109265    -12.20753206
  O     14.08313341      6.82649235    -11.52489832
  H     18.56147505     11.20611206    -11.87816432
  H     14.28408294     10.98588851    -16.53072252
  O     13.68152824     12.54862583    -12.45982994
  H     14.72504731      5.83820582    -12.78654914
  H     13.21528502     10.13077027    -15.78690425
  O     14.12559036      8.47411762    -18.09827296
  H     14.98099707      4.40709934    -13.31672865
  H     19.24261666      7.45203792    -11.03286734
  O     15.97679338      8.72610793    -10.78820057
  H     15.32334799     11.16577202     -8.31574848
  H     18.30274356      7.47085326    -12.26061333
  O     17.22574535      8.14002710    -15.98170331
  H     14.48699107     10.92843130     -9.59546619
  H     10.97360397      8.48101615    -12.08395429
  O     14.68666537      6.96863201    -15.74584876
  H     13.27636159      7.34753254    -11.60210737
  H     12.25178418      8.73413233    -12.91215853
  O     17.34756731     10.46836663    -14.51596583
  H     14.75438060      7.42940259    -11.17501179
  H     16.21007136     15.01436663    -12.56259753
  O     16.63965530      9.41581019    -18.48463226
  H     14.42228793     13.16397226    -12.40475625
  H     15.96345974     14.06117608    -13.74910136
  O     15.11072290     10.19563864    -12.99610606
  H     13.26101653     12.71272716    -13.31718178
  H     16.65985273     11.89458954    -10.39860486
  O     13.34978619     10.73558747    -16.53160316
  H     14.17915840      7.81104994    -17.39746184
  H     16.89455302     12.84888351    -11.59458643
  O     18.57598220      7.97360011    -11.47201674
  H     13.67485182      9.23547684    -17.71004742
  H     16.61207921     11.21252132    -15.90472835
  O     11.91152840      8.63964634    -12.00670157
  H     16.90949900      8.51228616    -10.92161339
  H     16.33868053     10.95272026    -17.40509882
  O     16.00238254     14.10809459    -12.78172222
  H     15.90726816      9.42504919    -10.12597561
  H     13.04377224     11.52640214    -11.08266872
  O     17.33448857     12.23250503    -10.99858790
  H     17.33353274      8.92776314    -15.42671565
  H     12.57654377     10.07096559    -10.87042510
  O     16.10981589     11.53471777    -16.67124087
  H     17.19742306      8.46079305    -16.88982463
  H     15.85121098     14.69340345    -16.22276064
  O     12.95195257     10.83201884    -10.41361012
  H     14.76308559      6.28869315    -15.06472976
  H     15.84708004     13.16431856    -16.02496824
  O     15.65684214     14.01012652    -15.58519566
  H     15.56412273      7.37231970    -15.82065399
  H     13.62046287      8.16360921    -14.88252376
  O     13.20606191      8.90697135    -14.42441739
  H     18.08471727     10.57939158    -13.90014311
  H     13.91348841      9.34537797    -13.92362679
          69
 Energy    -249.06048489185537     
  O     16.32915531     11.43476682     -9.95171429
  H     16.44379706     11.99903230    -10.72681394
  H     15.11834718      5.79068333    -15.72125065
  O     12.57229192      6.55706262    -11.40898600
  H     15.39003816     11.45991948     -9.73529170
  H     17.38685269      5.40479847    -13.42789634
  O     17.56755964      9.21235469    -15.07824348
  H     12.38189019      6.42499242    -12.34490926
  H     16.80954735      6.69575723    -12.76976092
  O     16.97990890      8.46669399    -12.50577862
  H     13.36310915      6.03780178    -11.21595587
  H     14.29842394     10.43163802    -12.43216909
  O     16.94928444     11.96382801    -14.67449267
  H     17.44022376      8.94855777    -14.15486947
  H     14.04231070      9.14762336    -11.59645847
  O     13.26275113      8.76192970     -9.97539523
  H     16.70297378      9.17027076    -15.51470781
  H     12.94971507     11.74006386     -8.84254946
  O     15.12495990      9.19735500    -16.42138185
  H     16.07970723      8.82737777    -12.49475721
  H     13.29331630     10.48751310     -9.68083475
  O     14.84489712     12.01143149    -16.58629685
  H     17.36947382      8.66487475    -11.64580074
  H     12.65657920     10.69939678    -14.84211839
  O     12.99977830      8.84405462    -14.67240904
  H     16.26930632     12.06788279    -15.35216109
  H     12.99616203     11.93566357    -13.97426941
  O     15.05661845      5.24172456    -10.74978544
  H     17.31890861     11.08223305    -14.80262665
  H     16.31851353      7.96002813     -9.30760573
  O     12.20038423      6.19982971    -14.22374657
  H     14.03168328      8.37447185     -9.52757926
  H     15.45040712      6.70183188     -9.58181736
  O     14.68666741      5.48116737    -14.91304857
  H     12.81474164      8.03186510    -10.42807347
  H     18.50608433      4.16827281    -15.23040824
  O     16.66226088      5.74652183    -12.88690449
  H     14.36374565      8.99732935    -15.85718756
  H     18.73977600      5.68364343    -15.27090783
  O     14.44548561      9.47766337    -12.41046075
  H     15.05326894     10.13055912    -16.65352741
  H     17.24707367      9.96840924     -9.87499731
  O     13.45367736     11.44412628     -9.59593814
  H     14.60788931     12.59813452    -17.29896564
  H     18.53123007      9.24073104     -9.40662277
  O     12.78564770     11.65700210    -14.87533788
  H     14.06950129     11.95373544    -15.99817034
  H     15.65532101      7.50382133    -17.03026714
  O     15.50147852      7.51236949     -9.05879810
  H     12.59811280      7.97133352    -14.59199369
  H     16.95811210      6.69051679    -16.98508246
  O     18.60865771      4.93505751    -14.66974946
  H     13.50315975      8.98839516    -13.85699128
  H     16.67342389     12.66831288    -13.12887610
  O     17.72579252      9.11979435     -9.90188081
  H     15.11257722      4.32720071    -10.48356645
  H     16.82444720     13.94983208    -12.27771030
  O     16.00585554      6.60475264    -17.09984696
  H     15.65016053      5.34703204    -11.51236937
  H     18.44244439      7.92383978    -15.91901047
  O     16.43748599     13.07828998    -12.27716282
  H     13.08534094      5.88941611    -14.49388134
  H     19.45712145      7.46742409    -16.99014723
  O     18.79021669      7.14644557    -16.38854812
  H     11.56615897      5.62255813    -14.63929641
  H     13.53229828     12.07690126    -11.36131699
  O     13.77153345     12.21075742    -12.28787436
  H     15.34615078      5.54508804    -14.21265513
  H     14.64107253     12.63324299    -12.29836102
          69
 Energy    -249.06042644221765     
  O     13.47206144      7.08529975    -15.51264845
  H     13.21704530      8.01476080    -15.53272134
  H     12.68800473      3.86039693    -12.17962732
  O     11.38621360     10.42386274    -11.17739339
  H     14.39079175      7.06439092    -15.21499442
  H     13.07458180      5.98479353    -12.43976856
  O     16.48799403      5.05493788    -10.28152570
  H     11.00485863     11.25583885    -10.90940335
  H     12.15392474      6.67457351    -11.41594774
  O     11.97347252      3.58798880    -10.46006300
  H     12.18852046     10.63432663    -11.68837918
  H     11.92567456     10.19643383    -15.93959237
  O     13.98965723      7.48257994     -8.19711184
  H     16.41309045      6.01340932    -10.16034385
  H     11.82736740      9.37026113    -14.63594409
  O     18.78222315      7.43510731    -13.84578310
  H     17.42948407      4.84605376    -10.26170952
  H     19.99186843      4.23025057    -10.37822733
  O     13.54061535     10.80570149    -12.79438615
  H     12.70181018      3.97236372     -9.93634215
  H     19.14688771      4.63075353    -11.61255146
  O     15.90270843      4.61033522    -12.96821536
  H     11.73864048      2.76323481    -10.04384767
  H     14.19548406      7.95895107    -12.10733465
  O     18.79184092      7.57617498    -11.12221506
  H     13.94525671      7.69341559     -7.26769561
  H     15.43534377      8.10431938    -13.01073099
  O     10.56747180      6.03878834    -10.60689804
  H     13.15863168      7.80103842     -8.59188722
  H     13.91376115      5.64705158     -8.73611244
  O     11.64582000      8.26246426     -9.30349221
  H     18.78730475      7.56683482    -12.88069922
  H     14.86567411      4.69916379     -9.48239704
  O     13.18849307      4.16680146    -12.94675438
  H     19.46615153      7.99553921    -14.20217857
  H     15.52640394      7.78388158     -9.24879726
  O     12.83596682      6.84581205    -12.07720420
  H     13.28710154     10.62267045    -13.70636912
  H     15.82394486      8.13601225    -10.72682475
  O     12.45105589      9.75717119    -15.27509123
  H     14.16580876     10.10423085    -12.56012932
  H     18.82449706      5.50453046    -13.64211486
  O     19.26148770      4.77564232    -10.65579713
  H     14.98505893      4.31596567    -13.03759460
  H     17.75331564      4.44079677    -13.33708904
  O     14.98836969      8.49950682    -12.25131970
  H     16.07260457      4.75762312    -12.02668700
  H     10.93495937      9.24568669    -12.55487257
  O     13.97631346      4.75977423     -9.10832375
  H     17.99827242      7.78914363    -10.61495357
  H     11.66260204      7.95712455    -12.99448369
  O     16.22807194      7.80211761     -9.91099518
  H     19.05832497      6.69174821    -10.84155601
  H     16.99184289      7.23356537    -14.33698550
  O     18.70628651      4.60462690    -13.31328712
  H     10.91732765      5.15097477    -10.46197598
  H     15.97824021      6.15297136    -13.89588337
  O     10.98841700      8.59802369    -13.26938468
  H     10.12395202      6.02412495    -11.46850771
  H     12.28933235      5.81900602    -15.25684991
  O     16.05348076      7.00829848    -14.34638615
  H     11.10152750      7.53804879     -9.64164159
  H     11.44588000      4.70242601    -15.91216753
  O     11.65018066      5.10673682    -15.07277482
  H     11.54419488      9.00334164     -9.91217996
  H     10.23355584      5.69239713    -13.86990327
  O      9.65487774      6.13240555    -13.23555893
  H     12.57845242      4.32578328    -13.67915317
  H      9.86031637      7.07224075    -13.33286690
          69
 Energy    -249.06037411516252     
  O     16.27921891      4.89062172    -12.41826268
  H     15.40346473      5.23275927    -12.62430863
  H     17.61219494      5.64634163    -11.58497340
  O     16.52418406     13.82014671    -12.29701553
  H     16.69741430      4.71865602    -13.27543180
  H     20.81827467     10.31441366    -17.34140041
  O     19.76082375      8.94968199    -14.21673939
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  H     19.35227131     10.40455706    -16.85328946
  O     14.88850996      5.60198871    -15.94762016
  H     17.12590385     13.55692368    -11.58806580
  H     16.59454591      7.96495695    -13.90918289
  O     15.95922072     11.01393855    -10.01289666
  H     20.03708815      9.27851607    -15.07972397
  H     16.90333873      7.84912304    -15.42861007
  O     15.18464479      8.39748985    -12.84139176
  H     18.88900124      8.53965465    -14.34516007
  H     14.94392505     10.60232131    -15.97836414
  O     17.43939393     11.88328809    -14.01691432
  H     15.16250613      6.36979250    -16.46825036
  H     14.47016773     10.92450815    -17.41116648
  O     20.32774235      6.35259327    -13.37784678
  H     15.71637188      5.16055737    -15.71447488
  H     17.60291448      7.77289970    -10.92628703
  O     13.82823054      6.07676651    -13.50656457
  H     16.30754752     10.12588034    -10.16439431
  H     16.39091594      8.51197224    -11.55151019
  O     20.03254731      5.34724317    -15.90732052
  H     16.73143359     11.59239645     -9.98208730
  H     18.65020646     11.85643372    -11.00941369
  O     17.43301057      4.99326906    -14.92377229
  H     14.58674690      7.67096082    -13.06163098
  H     19.06044748     12.85967509     -9.90819301
  O     18.38286621      6.09744811    -11.19645197
  H     14.93244781      9.18755739    -13.33629877
  H     19.36852597      9.96282802    -12.78104552
  O     20.14742608      9.84022917    -16.85818206
  H     17.16302168     12.68241880    -13.54534467
  H     18.29815527      9.80169885    -11.66790410
  O     17.29436373      7.77958713    -14.54643532
  H     17.96026236     11.35861345    -13.39659281
  H     14.77198990     11.68691865    -11.11491162
  O     15.15987591     10.48659549    -16.91761600
  H     19.70332174      6.23098431    -12.65408589
  H     13.41636826     12.40680722    -11.29473871
  O     17.13635572      8.61720943    -10.93999705
  H     20.29804374      7.29513512    -13.59528875
  H     19.33153935      8.21593802    -17.39282677
  O     18.32032902     12.56757059    -10.43396016
  H     12.96278282      5.68539268    -13.42791867
  H     19.22369548      6.71395523    -17.05998795
  O     18.89151134     10.44116341    -12.08866913
  H     14.13512045      5.90064531    -14.41470933
  H     14.46731176     11.31051020    -13.42280285
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  H     20.19208980      5.66754814    -15.00146936
  H     15.80783598     11.13900141    -14.15444325
  O     18.80537237      7.42427054    -17.56061579
  H     20.78339784      4.80845878    -16.14190916
  H     17.01429559     11.08311567    -16.94264430
  O     14.88273102     10.84585407    -14.16097698
  H     18.28694039      4.85268087    -15.34555249
  H     17.83316110     11.62209130    -15.76363466
  O     17.90835587     11.32773598    -16.68348012
  H     17.41088648      5.94264178    -14.72378270
  H     17.03628623      7.72451373    -17.42159311
  O     16.13136368      7.82403285    -17.08465095
  H     18.67613816      5.55330740    -10.46914422
  H     15.84305104      8.73745837    -17.18686373
          69
 Energy    -249.06031160635621     
  O     17.30783754     10.74116254    -18.03153754
  H     17.63689415     10.15525253    -18.72337665
  H     20.02999058     11.72221161    -16.41287063
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  H     16.43418880      9.11297045    -15.36041036
  O     15.87727022     12.29684756    -11.75983302
  H     15.57086114      7.27557938    -14.08536173
  H     17.85048192      9.65255961    -15.00901950
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  H     16.74749178      6.42295101    -14.58429179
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  H     16.34301758     12.56158384    -12.56237334
  H     14.42893838     11.25801922    -16.86889927
  O     13.73609517      9.38819114    -12.17197002
  H     14.93731582     12.36037410    -11.97075860
  H     17.34123248      7.52974932    -12.66715976
  O     17.09009949     12.54226637    -14.34200689
  H     22.07556365     10.74002974    -13.38911748
  H     17.34473734      8.58108709    -11.52422894
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  H     21.19493390     10.57887919    -14.65496843
  H     14.04967618      9.18709688    -17.66318747
  O     14.63752913      8.82171120    -14.84332056
  H     16.75422758      6.70958562    -17.72857591
  H     13.03627572      8.03105418    -17.86223228
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  H     16.14974274      9.87418655     -9.74232911
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  H     14.53926916      9.37462829    -11.63554864
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  H     18.31957471      9.62958052    -12.97561828
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  H     13.25329363     11.06052184    -12.40541313
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  H     12.29802106     12.27649715    -12.30494655
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  H     20.40234151      7.95882385    -17.15067987
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  H     14.58093017      9.78996024    -14.87305355
  H     15.44400096     11.93987678    -14.82031937
  O     13.15611605     12.00634446    -12.61927264
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  H     13.98540421     11.85488848    -14.29259478
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  H     21.18595266      5.77939752    -15.97247034
  H     18.62106782     13.62031508    -17.38269422
  O     14.56391530     11.58731723    -15.01707092
  H     17.68595234      7.52492276    -16.06520305
  H     18.05635564     12.18238182    -17.32898226
  O     18.48719339     12.87612127    -16.80064181
  H     18.67112709      6.34120592    -16.14724785
  H     18.34483780      8.39436170    -20.53538340
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  H     17.50922455      8.03712922    -19.28335458
          69
 Energy    -249.06026611114316     
  O     -6.33556201      1.50789904      0.86066746
  H     -5.58547699      2.01859837      0.51935239
  H      1.11358005      1.48518244      2.49510068
  O     -4.86974861      1.66292986     -3.36147572
  H     -6.41531888      1.74100319      1.79370338
  H     -0.62839245      4.56488830     -0.27577806
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  H     -4.94219136      1.71154562     -4.31249367
  H     -2.02593124      5.10674597      0.07492315
  O     -0.93119190     -1.62647511      2.30833361
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  H     -3.79976740      3.03655972     -0.88996167
  O     -2.98322177     -1.21378871      0.41998252
  H     -5.34131147      2.65221924      3.65373639
  H     -3.43999818      2.34626847      0.43621240
  O     -3.70965968     -0.74630543     -2.24764942
  H     -6.74280727      2.40622176      4.26136864
  H      0.59635773      2.17314571     -0.29955067
  O     -5.67728648     -1.19888313      1.10874158
  H     -1.39139196     -1.38950988      3.12308889
  H      0.70204998      0.69409531      0.16419159
  O     -2.84057922      3.24848697     -2.43594274
  H     -1.60621023     -1.65436813      1.61764778
  H      1.76053613      4.34806451      0.44196454
  O      1.29372806     -0.23676352      1.65540224
  H     -3.88077733     -1.27601208      0.77401876
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  H     -3.08740983     -1.08086998     -0.53138937
  H     -6.83880893     -2.52415140     -2.00315958
  O     -2.37745387     -0.73167209      4.59561859
  H     -4.06014246      0.07630986     -2.61321376
  H     -6.60646098     -1.02468538     -1.68882682
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  H     -4.48475555     -1.30515655     -2.10529903
  H     -1.86531629      1.68519682      2.72867962
  O     -1.45689817      4.86900736     -0.66585559
  H     -5.91775368     -0.26443095      1.01393010
  H     -1.88132846      1.01842502      4.12220698
  O     -4.12590474      2.88015040      0.00490728
  H     -5.93880174     -1.62572555      0.28439563
  H     -5.23976359     -0.92234683      2.92005921
  O      0.27348777      1.27930667     -0.47472941
  H     -2.26140798      2.48290067     -2.58316843
  H     -5.34834191      0.35421854      3.77596596
  O      0.95561570      3.83737197      0.47465145
  H     -2.32450887      3.90177108     -1.94225533
  H     -2.44267361      0.43173504      0.87045977
  O     -6.23278164     -1.91935980     -1.58416516
  H      2.04488632     -0.81926643      1.72810410
  H     -1.31146033      1.41437444      0.48054680
  O     -1.72049474      1.85694245      3.67312957
  H      0.51085163     -0.75851720      1.90800368
  H     -4.16078484      5.91691151      1.13731734
  O     -4.92880606     -0.51405900      3.73761691
  H     -0.73084249      0.95395202     -1.98834881
  H     -3.85712972      4.42620304      0.86420285
  O     -2.12362234      1.33626728      0.99590693
  H     -1.94530149      0.18657748     -2.57934665
  H     -6.36814538      1.13334428     -2.29463217
  O     -3.54277398      5.21649233      1.33634241
  H     -2.37686073     -1.13656089      5.45882535
  H     -6.94540903      1.04339139     -0.86099875
  O     -7.01778770      0.67100123     -1.75010742
  H     -3.30742272     -0.68722195      4.30822761
  H     -3.70697494      4.25523570      2.99434231
  O     -3.90131867      3.60447796      3.67798904
  H      0.04038463      2.30663197      3.23064915
  H     -3.10209492      3.07024047      3.78439468
          69
 Energy    -249.05983101618051     
  O     20.40797075     12.14961101    -18.14838811
  H     19.96367377     11.64449883    -17.45655675
  H     18.39033260     13.03901248    -20.37145150
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  H     21.08221345     12.69858321    -17.72131572
  H     22.82895361     16.76438354    -18.75560809
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  H     16.78370512     18.28790445    -15.24083510
  H     21.78224418     17.18344482    -17.69550037
  O     15.73128941     14.03623582    -13.53957017
  H     17.11231651     18.21464580    -16.75246610
  H     19.64709571     16.79200739    -14.87741941
  O     16.66208061     12.91433341    -17.32667360
  H     21.48393480     13.49943822    -14.19914433
  H     19.17469236     18.00543050    -14.03595612
  O     17.13173093     10.57180557    -13.92227159
  H     22.91532668     13.16298007    -13.71963649
  H     18.70093372     12.97846804    -13.21113660
  O     14.97583161     11.91981523    -15.31837828
  H     16.52567786     13.62714765    -13.16262667
  H     18.32652872     13.50941769    -11.81404702
  O     22.22687270     13.89079671    -16.97421799
  H     15.28553845     13.33701412    -14.03193680
  H     18.18087781     18.90965798    -18.92042176
  O     20.97478879     18.44405466    -16.79595995
  H     17.15406276     13.06420555    -18.14205814
  H     18.67253812     17.54616957    -18.38484682
  O     16.78392531     16.34822426    -12.23116885
  H     16.52868947     13.78672686    -16.92269765
  H     20.75336214     16.50373967    -13.04986084
  O     19.81795003     13.13537462    -14.59939408
  H     17.41191287     11.22420496    -13.26733371
  H     21.60749406     15.22314812    -12.93187360
  O     18.47322404     13.39735207    -19.49193782
  H     16.30918864     10.91179979    -14.29544776
  H     17.25658468     19.36189138    -12.98433855
  O     22.08844071     16.44230891    -18.24856820
  H     14.15288569     11.56653941    -15.64840119
  H     17.19575718     17.81643891    -13.03846447
  O     19.96161617     17.54293978    -14.35008144
  H     15.49050195     12.19068510    -16.09535543
  H     19.71574862     15.30689831    -11.42843647
  O     18.04334860     12.89728184    -12.50361998
  H     22.26583387     14.77866641    -17.34868510
  H     19.17821055     15.12734742     -9.98885714
  O     18.41858834     18.44664945    -18.12025166
  H     22.39001516     13.98446411    -16.02963040
  H     18.18609676     10.79091199    -15.40413529
  O     21.03403183     15.81464567    -12.43188319
  H     20.76252743     18.24139952    -15.87461419
  H     17.95652700     11.76493629    -16.58160009
  O     17.49056985     18.60994778    -13.52171363
  H     20.12847830     18.63358504    -17.21879081
  H     18.09839692     15.39592783    -15.85130528
  O     18.94004321     15.03161419    -10.90696228
  H     16.25926358     15.63145826    -12.60623681
  H     19.28139956     15.55312548    -16.83194559
  O     18.62367224     11.20389536    -16.16271175
  H     17.49532072     15.93077960    -11.72877032
  H     19.08057624     15.07743906    -19.03768113
  O     19.06428127     15.42802812    -15.90130801
  H     19.49820999     12.40915291    -15.15013792
  H     20.33435269     15.97208543    -18.70560452
  O     19.36919010     15.92287218    -18.67231584
  H     19.60196377     13.95807367    -15.06372477
  H     16.06338491     14.97199993    -15.07533726
  O     16.32319198     15.26390145    -15.95910281
  H     19.20775876     12.92009551    -19.05978644
  H     16.22105220     16.22551920    -16.01995750
          69
 Energy    -249.05973472041430     
  O      5.04658332     -5.98627824     -1.23649381
  H      4.80030146     -5.05915364     -1.12559918
  H      3.58004706     -3.30518963      0.07270345
  O      2.60244204     -8.91138723     -3.03283571
  H      4.55071178     -6.46129810     -0.55630475
  H      1.11933171     -6.48858232     -4.15493539
  O     -0.66477453     -8.00186768      0.14772010
  H      3.25495969     -8.25334080     -3.29668953
  H      2.57607657     -5.97376124     -3.97785874
  O      0.27287145     -3.30137909     -3.64717418
  H      1.76895362     -8.63557633     -3.43721760
  H      1.35233303     -5.59874783      2.55938558
  O      4.27777439     -6.69420415     -3.74652946
  H     -1.28375708     -8.73333599      0.26442188
  H      2.32400868     -5.75815672      3.75329235
  O     -2.01362894     -4.13015692     -2.47882215
  H      0.18799195     -8.39456579     -0.08854310
  H     -0.18976883    -11.09188560     -2.10270614
  O      0.12940795     -8.03319907     -4.07530547
  H      0.78323972     -4.08595649     -3.89344576
  H      0.67594419    -10.66638154     -0.88906798
  O      0.86324586     -1.74458604      0.28120612
  H      0.89100518     -2.69794323     -3.21976724
  H     -2.92749243     -9.72738643     -1.57672436
  O      1.78566139     -9.20529762     -0.46026416
  H      5.03859522     -6.75836631     -4.31762154
  H     -2.68834874     -8.48110461     -2.44998477
  O     -0.61256224     -4.02785447     -0.06671669
  H      4.60959179     -6.46060227     -2.86210323
  H      2.51719072     -6.49933793     -0.04457553
  O     -1.62538525     -6.93167477     -2.24793886
  H     -1.22879107     -3.79539786     -2.95035727
  H      2.94969453     -6.54335903      1.43259593
  O      3.63523250     -3.55569425     -0.85828974
  H     -2.77231867     -3.69336731     -2.85574018
  H     -2.60600313    -10.93853843      0.76213964
  O      1.64832710     -5.70639575     -3.94486085
  H     -0.48505997     -7.61661124     -3.45172729
  H     -1.48679520    -10.75513153     -0.29365669
  O      2.26401375     -5.42431976      2.86222792
  H     -0.18601959     -8.93924965     -4.18179859
  H      1.50604670     -5.55100706     -2.08853038
  O     -0.05660568    -11.23711321     -1.15847073
  H      1.26989596     -1.57242721     -0.57727503
  H      0.79917868     -4.97506025     -0.80918205
  O     -2.99152832     -9.39876187     -2.48257547
  H      1.57074167     -2.05973507      0.85663561
  H     -1.27426354    -11.27355008     -4.46591597
  O      3.09635710     -6.96638194      0.58055668
  H      2.32989104     -8.59811283      0.05518901
  H     -1.76044739    -10.23607733     -3.42472346
  O     -2.26179556    -10.32783009      0.11682858
  H      2.11722311     -9.14634416     -1.37091251
  H      2.75316937     -3.80707587      2.20687604
  O      1.59855615     -5.40488508     -1.13931441
  H     -1.21910970     -3.96589096     -0.81325803
  H      3.48418831     -2.48274244      2.51176410
  O     -0.96904791    -10.61045856     -3.85237504
  H     -0.20465976     -3.15934495      0.06570768
  H      2.82160600     -2.30115844     -1.85542765
  O      3.01910671     -2.95525950      1.82508880
  H     -1.81666847     -5.98832344     -2.28558776
  H      2.73929875     -0.99974653     -2.68555040
  O      2.20639965     -1.67161702     -2.26703246
  H     -1.27924263     -7.14907267     -1.37033666
  H     -0.37354445     -6.69818532      1.41020633
  O     -0.18921855     -5.89509257      1.91519838
  H      2.93540882     -4.21546956     -0.99441296
  H     -0.45389432     -5.16850351      1.33341590
          69
 Energy    -249.05969915382317     
  O      6.48941455     12.00410826     -5.63812037
  H      6.43255722     12.95394393     -5.47944900
  H      3.62930204     12.23087928     -1.19075740
  O      4.91843109      8.62658296      0.62910859
  H      7.33781589     11.70779416     -5.28517941
  H      7.94202120     11.42720800     -1.46115977
  O      3.26149564     13.33691433     -5.08702586
  H      4.14478891      9.21714476      0.67253259
  H      8.62116405     11.82752752     -2.78434043
  O      4.88360918      8.01115388     -4.35245041
  H      4.94781550      8.15266721      1.45570097
  H      6.25191862      9.50539642     -0.34920961
  O      5.72115264     14.61888453     -4.82670542
  H      3.50046908     12.42191022     -5.26867099
  H      6.02605533     10.52807210     -1.47560273
  O      4.84380267     11.59139544     -2.31776314
  H      2.69930939     13.31825301     -4.29875187
  H      4.30482404     17.12387646     -3.79791263
  O      1.31870151      8.86260212     -1.57507383
  H      4.52738108      7.86046857     -3.45776799
  H      4.99434296     18.12667314     -4.75568749
  O      4.25436473     10.65844607     -4.93873292
  H      4.74070258      7.20738291     -4.84522470
  H      6.23448936     14.25152195     -3.13083600
  O      1.52615739     13.22477646     -2.90767743
  H      5.53592180     15.56470789     -4.87019562
  H      7.12997920     13.44211888     -2.10842051
  O      1.61290123     10.52755545     -3.68417369
  H      4.86018688     14.18027994     -4.90842638
  H      8.38696558     10.13489062     -4.14790539
  O      0.90247343     15.93936697     -3.25767340
  H      5.36626739     12.40299609     -2.38915786
  H      9.65609225     10.68148747     -4.84699557
  O      3.02103741     12.73076989     -0.62099721
  H      4.64264334     11.28335811     -3.20799410
  H      2.96390457      7.99845069     -1.77890396
  O      8.34048547     12.17374799     -1.92778629
  H      1.38781419      9.45438849     -2.34530263
  H      4.31768522      7.89927672     -1.05325097
  O      6.71296159     10.00821976     -1.03006809
  H      0.44519049      8.48141515     -1.59912856
  H      2.57575151     15.02422892     -5.66153376
  O      4.69081891     17.22577690     -4.68725879
  H      5.06983954     11.07505381     -5.26770247
  H      3.08691902     16.46273612     -5.46155621
  O      6.32080731     13.96641597     -2.21133798
  H      4.44430989      9.71804624     -4.82215288
  H      5.29516139     14.68594008     -1.00120596
  O      8.82763677     10.94778541     -4.45779301
  H      1.95448087     13.10475337     -2.04826767
  H      5.11778018     15.35599056      0.38236840
  O      3.87147193      7.68371059     -1.87998306
  H      1.18129250     14.12508074     -2.94092412
  H      7.26700867      9.12429093     -2.55635366
  O      2.28492035     15.94428190     -5.60346276
  H      2.42701516     10.51693527     -4.19813322
  H      6.65567664      8.49510417     -3.82498559
  O      4.63586621     15.04410275     -0.37964503
  H      1.44171246     11.45349174     -3.46322451
  H      2.13024183      9.75559322     -0.11832441
  O      7.47681270      8.83932400     -3.45716179
  H      1.30498944     15.99221795     -4.14358841
  H      2.72769380     11.11451814      0.29789793
  O      2.69187730     10.18130455      0.54249275
  H      0.08671925     16.43149914     -3.29444272
  H      2.56078628     16.52044369     -2.47023703
  O      3.46966850     16.79668363     -2.30159303
  H      3.48431839     13.54267464     -0.38300995
  H      3.80994638     16.23066897     -1.59877418
          69
 Energy    -249.05946826389888     
  O     11.51233347     10.38041331    -14.62645479
  H     12.01788959     11.20008971    -14.59964753
  H     19.03216766      6.81088976    -15.18963068
  O     15.80219832      6.77274875    -12.73390035
  H     12.01443356      9.78668217    -15.20217158
  H     15.70155704     10.83033732    -16.29638243
  O     16.83601992     11.66364020    -11.54984761
  H     15.51409138      7.59997774    -13.15473807
  H     14.28292327     10.30132837    -16.59161819
  O     17.17836379      9.92069663    -15.47331016
  H     15.16174875      6.60481166    -12.03312518
  H     15.78605477      9.43476048    -14.41367784
  O     12.90902944      5.97668304    -15.65512986
  H     16.93800778     11.30665423    -10.65748634
  H     14.76022175      9.82135966    -13.30274686
  O     14.56126549      9.39868336     -8.50221403
  H     17.50616833     11.23447375    -12.09381761
  H     10.97307661      9.47562866    -13.25284517
  O     13.78570546      6.70582969    -10.83799283
  H     17.42300354      9.06000439    -15.83883952
  H      9.78689353      9.01499047    -12.37294984
  O     14.26808297     11.24427728    -12.31007359
  H     17.78802352     10.11032527    -14.74813932
  H     18.06184788      7.73498515    -10.42111695
  O     17.72703288      7.30999430    -16.42213287
  H     12.32203885      5.32189070    -16.02305496
  H     17.60397607      8.76673682     -9.36203607
  O     15.45417220      6.66625655     -8.58614382
  H     12.61930404      6.12384789    -14.73599725
  H     12.65649378      6.37197714    -12.33222438
  O     15.73921475      5.84992255    -15.35269622
  H     14.75915246      8.45958819     -8.40036274
  H     11.56525393      7.26391400    -12.94631380
  O     19.63726985      6.56210765    -14.47525009
  H     13.89545920      9.45872080     -9.20028299
  H     18.59150394      9.31268329    -12.78316878
  O     14.80927917     11.11079845    -16.53656125
  H     13.52389707      7.63872820    -10.82686624
  H     19.66225101     10.38577499    -13.08172590
  O     15.05421360      9.10261169    -13.87647616
  H     14.28513554      6.55496413    -10.02583581
  H     18.90309011      7.20080614    -12.94139029
  O     10.72680349      8.91344898    -12.49634080
  H     15.16410747     11.50132957    -12.04026692
  H     17.45768856      7.29652182    -12.38610328
  O     17.72825892      7.82221394     -9.51961381
  H     13.98676458     11.81235619    -13.03709748
  H     16.08740890     10.19430871     -8.78685431
  O     12.10355007      6.48113846    -13.11576753
  H     16.98710307      6.77300258    -16.08253296
  H     17.25718228     11.01357301     -8.19657042
  O     18.72615602     10.20816773    -13.13732026
  H     17.76602814      7.16186956    -17.36354923
  H     13.38648526     10.08408122    -11.27604012
  O     18.35940455      7.63362517    -12.26904945
  H     15.66581465      6.05888830     -7.88275369
  H     12.08882852      9.24664615    -11.25748147
  O     16.98557832     10.52474500     -8.96936050
  H     16.30085627      7.00819617     -8.92627088
  H     13.31870450     13.44578202    -14.93217207
  O     12.92417938      9.38218694    -10.79401309
  H     14.79573753      5.82902488    -15.55039394
  H     13.94770211     12.09828686    -15.35403515
  O     13.42501364     12.53814161    -14.66045718
  H     15.80046845      6.00325454    -14.39902155
  H     13.89089196      8.82358919    -15.21891815
  O     13.32200501      8.74710399    -16.00193807
  H     19.91808575      5.67037531    -14.67024532
  H     13.11567085      7.80908069    -16.07645997
          69
 Energy    -249.05930523532925     
  O     15.31364087     10.32728794    -14.82089039
  H     16.22938355     10.33443035    -15.12881481
  H     17.63216050      5.56908062    -15.94330009
  O     16.50807631      6.53625052     -9.50486471
  H     15.08975632     11.18546833    -14.43163485
  H     16.26713319      7.73676046    -12.17860068
  O     13.68710624      6.95656307     -9.58311413
  H     16.59230660      6.55093923    -10.47345824
  H     15.84644203      6.36109603    -12.74107715
  O     13.74199738      8.13821378    -15.28589266
  H     17.06560630      5.82951369     -9.18995784
  H     17.63725314      8.89402030    -16.88697978
  O     17.99081966      9.98797588    -15.38181134
  H     13.60638321      7.87689531     -9.30526702
  H     17.91712151      7.39387222    -17.07370599
  O     18.62405761      7.71630483    -13.85398734
  H     14.61902645      6.72887354     -9.48138118
  H     17.34323843     13.86640534    -11.51472611
  O     12.37479501      6.09702965    -11.78984221
  H     13.98651314      7.81779141    -16.16215040
  H     17.43673356     12.32139385    -11.47063243
  O     14.70218403     12.46491337    -13.22600870
  H     14.26309978      8.94264972    -15.14025209
  H     15.77207064      7.58197076    -17.65016358
  O     12.01001627      8.66005242    -13.07168027
  H     18.44224515     10.74438589    -14.98989932
  H     14.61712260      7.16257555    -18.58963815
  O     13.44224996     10.45283321    -11.55233207
  H     18.19224357      9.21983782    -14.82621758
  H     15.77783892      9.74435923    -13.15159037
  O     13.67017102      9.73632292     -8.92746591
  H     17.94671807      7.35123158    -13.26826131
  H     16.54532293      9.94254451    -11.78566407
  O     18.54001157      5.91810144    -16.00629738
  H     18.73269540      7.07621697    -14.56883253
  H     19.76113104     12.77905789    -14.19731514
  O     16.53337873      6.80273944    -12.22471198
  H     12.83082188      6.38935078    -10.98070770
  H     18.51458914     12.50090785    -13.33099595
  O     17.42729433      8.13702976    -17.44809644
  H     11.66564335      5.52313576    -11.51258549
  H     18.50260072     10.37308056    -11.06178168
  O     17.30106807     13.08530568    -12.06102888
  H     14.17775096     11.96741160    -12.58466306
  H     17.39030355     10.31795726     -9.93220840
  O     14.89254041      7.16441691    -17.67693239
  H     15.51497716     12.73179575    -12.78175401
  H     14.18215922      6.70986049    -14.25776976
  O     15.88959870      9.40881484    -12.25189710
  H     12.45198010      8.52349613    -13.91954621
  H     13.68672698      5.83579628    -13.08288983
  O     19.17053112     12.08550862    -13.91174461
  H     12.02906063      7.80240055    -12.63025314
  H     19.48567353      8.98770742    -12.74582370
  O     17.72468347     10.81718727    -10.69179127
  H     12.80855366      9.92955325    -12.06604028
  H     19.73656915     10.50776355    -12.82597767
  O     14.39320177      5.92105250    -13.73464196
  H     14.30520383     10.04570672    -11.72418269
  H     16.57798642      8.36189766     -8.94549773
  O     19.73174651      9.75916425    -12.21818784
  H     13.51060953     10.07013637     -9.82681681
  H     15.56285520      9.50323227     -8.74210957
  O     16.50784389      9.31055612     -8.78261316
  H     13.08193232     10.21373849     -8.34818022
  H     15.40943649      5.22702205    -15.14271559
  O     15.94439299      5.14028909    -15.94259948
  H     19.08977057      5.20171469    -16.31168121
  H     15.51447853      5.69735713    -16.60395093
          69
 Energy    -249.05918388715904     
  O     13.64787209      0.95291347    -14.16872366
  H     14.10341146      0.79905220    -15.00763438
  H     17.98775029      6.67805054    -19.51046221
  O     19.74844430      8.43686153    -17.31771422
  H     14.30967355      1.34710104    -13.58514841
  H     15.25317776      3.26661682    -12.35743606
  O     14.84046841      4.89645245    -11.56970354
  H     19.11972985      8.94810132    -16.79292090
  H     15.58959612      2.97797152    -13.84137642
  O     13.92912467      4.21465294    -19.45734120
  H     19.66083046      7.52307899    -17.01372956
  H     17.11097079      4.13144706    -19.29511190
  O     18.33500064      2.81797368    -13.08819777
  H     15.71454644      5.21497502    -11.86130373
  H     15.71715932      3.49069586    -19.35743770
  O     16.28478370      9.12618903    -18.38108854
  H     14.71727134      5.20776995    -10.67726869
  H     17.90037394      6.66731519    -15.40976771
  O     14.89618780      6.23020092    -15.74630567
  H     13.49329144      3.73209012    -18.73253775
  H     17.37511467      8.08067370    -15.05718767
  O     18.88842522      5.82365599    -16.65149870
  H     13.39559532      4.07529323    -20.23557048
  H     12.71355416      4.61973506    -14.09213247
  O     15.04291482      1.21953342    -16.60675258
  H     18.81298163      2.35592188    -12.40382084
  H     13.63114787      5.25033232    -13.00911600
  O     17.49643650      9.66692079    -16.00772638
  H     17.39354387      2.61362612    -12.95874020
  H     12.47214885      2.95554829    -16.59976626
  O     15.80229200      3.62139534    -15.50806232
  H     17.01012799      8.97100876    -18.99845898
  H     13.53424554      2.07865368    -17.28659261
  O     17.57519097      5.91142203    -19.09531293
  H     15.70141498      8.35921584    -18.45430261
  H     18.60613380      2.93338179    -14.93737662
  O     15.59487769      2.58656620    -12.95197157
  H     15.67516359      6.62004847    -15.32797450
  H     18.37711147      2.44027146    -16.41902257
  O     16.65359584      3.28048337    -19.26636114
  H     14.22054092      6.07318557    -15.06924007
  H     14.87509221      6.51254545    -17.47855995
  O     17.34144865      7.15486045    -14.78598855
  H     18.43468546      5.82429858    -17.50693892
  H     14.52311187      5.87645290    -18.84924086
  O     13.15396384      5.43717259    -13.82635206
  H     18.94251983      4.90063533    -16.37187417
  H     17.80776856      4.77057204    -12.73023736
  O     12.86205416      2.75292048    -17.45716698
  H     15.21808477      2.10184038    -16.23772650
  H     17.36414987      6.16507684    -13.24386950
  O     18.56999244      3.20687064    -15.86347465
  H     15.86932516      0.97067137    -17.03127483
  H     19.15442560      8.45862015    -18.97437329
  O     14.97610583      6.62219598    -18.43737363
  H     17.32277183     10.56693141    -15.74611155
  H     19.22858817      8.79771510    -20.48319045
  O     17.30202872      5.55472272    -12.49571088
  H     16.99587333      9.51165543    -16.82909650
  H     18.15221371      0.69249532    -18.30841858
  O     18.67420846      8.39681960    -19.81988676
  H     16.74537809      3.63040541    -15.71208000
  H     17.31569128      1.99388974    -18.33060451
  O     17.67309754      1.29682826    -17.74795789
  H     15.45162960      4.50743250    -15.65942898
  H     11.04057267      2.77754550    -14.52956675
  O     11.94209216      3.01550132    -14.73306605
  H     16.67139713      6.17426202    -18.86274153
  H     12.49193734      2.25129378    -14.48801631
          69
 Energy    -249.05884953587005     
  O     15.35654406      9.69153270    -15.66839914
  H     15.02460042     10.21658584    -14.92875963
  H     16.27034865      5.20084614    -16.21056764
  O     15.35439327      4.84592927    -12.88357767
  H     15.92162881      9.00182663    -15.28542925
  H     16.64834647      5.23009496    -11.77748301
  O     17.19841326     13.68763038    -11.42989070
  H     15.76728538      4.73365484    -13.75271618
  H     17.49584248      4.72997353    -10.58666649
  O     19.52566171      8.24775233    -13.87763334
  H     14.53186732      5.31638482    -13.05538810
  H     19.34625745      8.34830765    -16.87174121
  O     15.85782581      6.10187158    -17.76287246
  H     17.30841695     14.59652585    -11.69650508
  H     20.51649970      9.33969067    -17.07569095
  O     16.38178936     10.26109870     -8.90117028
  H     17.35597469     13.14367450    -12.22112238
  H     17.76657914      7.84440699    -14.23243701
  O     14.95516925      8.39381450    -12.55642206
  H     19.72941112      8.67550128    -14.71821900
  H     16.76809239      6.75244657    -14.71596043
  O     17.58256987     11.87090869    -13.44545292
  H     19.41410371      8.92114053    -13.19188138
  H     16.10561539      8.24567956    -11.20595298
  O     19.52953517      5.57991439    -13.18141401
  H     15.51328028      5.81170027    -18.60319851
  H     17.14734650      7.22276473    -10.70507362
  O     13.19157441      6.60656693    -13.63541032
  H     15.13426990      6.57577501    -17.31461956
  H     13.62561523      7.05511597    -15.49141180
  O     19.34625864      4.60483263    -15.68075249
  H     16.14137175      9.97238345     -8.02395452
  H     14.26990801      8.26886230    -16.19999292
  O     16.60176450      4.94847505    -15.33911462
  H     16.55716363      9.45879408     -9.41895597
  H     18.23078710     12.55293085    -10.26931176
  O     17.41230354      5.44545120    -11.21271144
  H     14.85806280      9.34140782    -12.72660606
  H     17.91086790     11.34189997     -9.37641896
  O     19.75962229      9.15898417    -16.52424701
  H     15.63494789      8.06670533    -13.16880774
  H     18.89596412     10.55811392    -11.14015419
  O     16.83453160      7.66187100    -14.40331220
  H     18.00431920     11.15688107    -12.94830080
  H     18.12682025      9.25389208    -11.45267966
  O     16.86978307      8.14269144    -10.61857736
  H     17.73411825     11.71223771    -14.38852594
  H     15.33535187     11.47541941    -10.00275795
  O     13.93624092      7.37270037    -16.34668410
  H     18.85333832      5.51838145    -12.49801483
  H     15.62628110     12.74710163    -10.81420128
  O     18.63235068     11.78712246     -9.83926662
  H     19.65539527      6.52446712    -13.35665570
  H     18.94592028      6.07204437    -16.84803027
  O     18.73704684      9.89956805    -11.83214682
  H     12.29952115      6.66971415    -13.30224038
  H     17.70894792      6.67286822    -17.55234045
  O     14.94312230     12.08733306    -10.63674527
  H     13.70864231      7.29221386    -13.17886964
  H     14.70519147     11.43002161    -12.32264579
  O     18.63750316      6.83647583    -17.35069918
  H     19.95125415      3.88297066    -15.82561922
  H     15.83058949     11.34766341    -13.35700247
  O     14.92091731     11.06077457    -13.19146680
  H     19.48372332      4.91010724    -14.76497980
  H     16.92302477     10.69814494    -16.14982110
  O     17.77458810     11.14579506    -16.06398918
  H     17.52560594      4.69119163    -15.45476157
  H     18.44948145     10.49646811    -16.29569197
          69
 Energy    -249.05874116875418     
  O     14.43716066      6.44247563    -14.39339459
  H     13.68361176      6.96049776    -14.08019104
  H     18.00885996      2.92576867    -13.25252151
  O     15.83723434      5.99593927    -10.19176333
  H     14.64126579      6.70828525    -15.30257359
  H     18.23682673     10.46314697    -13.73491189
  O     18.92487879      7.77225765    -12.40582268
  H     15.85403805      6.96157466    -10.24222748
  H     18.88900876      9.64788148    -12.60091775
  O     14.91095146     10.29885291    -16.64035665
  H     15.07882683      5.75236541     -9.64666109
  H     15.69565927      7.53870965    -13.70086131
  O     11.67976286      7.20216975     -9.72377210
  H     18.94137214      7.06110978    -11.74938781
  H     16.56213873      8.80603719    -13.96116731
  O     12.40271486      7.97573784    -13.25458351
  H     18.00534421      7.82734796    -12.70669220
  H     13.91597945     12.65591171    -11.96484325
  O     15.80250233      8.72899911    -10.68579721
  H     14.55399602     10.87887385    -17.30701775
  H     15.04876961     11.63649447    -11.72642256
  O     18.12676613      7.55519958    -16.68843037
  H     14.30922868     10.34450293    -15.87512709
  H     13.00656114      4.38196497    -10.51314886
  O     10.86266823      5.91039187    -12.16360554
  H     11.25204689      6.82104188    -10.50066369
  H     13.63288911      4.13785908    -11.89769107
  O     19.01339613      6.05779906    -14.63930328
  H     12.08591332      8.02746819    -10.01993414
  H     13.64087109     10.83011417    -13.66225640
  O     15.27236760      7.45021658    -16.78872441
  H     12.66613681      8.40813106    -12.43001403
  H     12.92843918      9.54428209    -14.14767087
  O     17.92386294      3.87155032    -13.16215524
  H     11.77294852      7.28807165    -13.00301948
  H     17.68137432      5.61091061    -10.47223474
  O     18.55664555     10.52851266    -12.82533366
  H     16.20489309      9.59313696    -10.55333906
  H     18.47510982      4.86925294    -11.56086834
  O     16.29109587      8.17312878    -13.28482549
  H     15.93974661      8.52456496    -11.62678170
  H     15.52086080      5.13259991    -11.78559747
  O     14.13454736     11.72925194    -12.03686372
  H     18.73218951      7.45025537    -17.41738056
  H     15.01665331      5.20107542    -13.26950710
  O     12.79142931      4.14711779    -11.42426787
  H     18.44375444      6.96863334    -15.97796455
  H     13.23770680      5.02434927     -7.99530974
  O     13.35291350     10.35693073    -14.45120873
  H     10.06189029      5.45037219    -12.39977447
  H     12.80633285      6.01839304     -9.10048716
  O     18.56598028      5.51364957    -10.84854316
  H     11.53016658      5.22909927    -11.96463036
  H     14.02863673      9.01115818    -10.71916635
  O     15.34447753      4.60495308    -12.57872849
  H     19.18259898      6.66161709    -13.90390879
  H     13.23050514     10.22585586    -11.19459955
  O     13.44219101      5.31446029     -8.88017721
  H     18.66199085      5.25420064    -14.23864790
  H     17.40336788     11.12521602    -11.69226874
  O     13.12574319      9.31678149    -10.89379777
  H     15.07580881      8.39330875    -16.84348016
  H     17.20294570     11.94514253    -10.39884581
  O     16.74095345     11.40374021    -11.03357206
  H     16.23483108      7.38317117    -16.83356115
  H     16.54726030     10.15152634    -15.77425607
  O     17.32913980      9.86433024    -15.28514495
  H     16.98132844      4.05212631    -13.00820904
  H     17.71141425      9.13318395    -15.79022046
          69
 Energy    -249.05856087033845     
  O     11.08408415     10.65974000     -9.23651650
  H     11.82209657     10.82873275     -8.63881244
  H     14.12916199     12.22016999    -14.50476059
  O     12.77560715      9.20444737    -17.30436458
  H     11.06606702     11.40576773     -9.85219986
  H     17.24703272     10.04415732    -11.77078957
  O     10.90589939      8.43943043    -10.76323172
  H     13.11205858      8.98003663    -18.16788501
  H     16.59900305      8.93524344    -12.64225320
  O     13.56446552      8.41828821    -14.71235971
  H     12.77018425     10.17619328    -17.24922375
  H     14.85583543      7.71973107    -11.90447440
  O     14.08945185     13.70968594     -8.81115772
  H     10.25507377      7.84034932    -10.40751672
  H     14.83182730      7.65126504    -13.43901083
  O     12.52961878     11.91872578    -17.04524487
  H     10.92428334      9.21682328    -10.17569633
  H     13.46835709     15.03180287    -11.56366914
  O     11.20950582      9.23499532    -13.45908247
  H     13.36908813      8.55944954    -15.64699159
  H     12.40431510     16.00876248    -11.01420892
  O     15.35741608      9.65540758     -8.62756830
  H     12.74760991      8.60884735    -14.22837044
  H     12.81366630      8.24307985    -10.58172630
  O     13.76848117     11.08886348    -11.48400293
  H     13.53546678     14.26942956     -9.36461967
  H     13.79001409      9.39303938    -10.86911151
  O     13.31614215     11.38969709     -7.59361419
  H     14.81943896     13.43409551     -9.38283517
  H     11.96772155     12.41552310    -14.11982346
  O     11.40083432     12.61695020    -11.19177890
  H     11.58269234     12.02999606    -16.89272031
  H     10.53558484     12.07461088    -14.61208340
  O     13.60502875     13.03006796    -14.63334823
  H     12.97265504     12.41928137    -16.34940508
  H     16.55901801     12.20417964    -10.52456416
  O     17.02657825      9.80592348    -12.67653897
  H     11.06069510      8.96260340    -12.54541623
  H     15.09416002     12.13404921    -10.99332945
  O     15.41183554      7.54287327    -12.67539622
  H     11.19125247     10.20054192    -13.49046796
  H     15.71816554     10.51854666    -13.59858707
  O     12.71408093     15.10776900    -10.95842306
  H     14.70077665     10.22841247     -8.21442045
  H     14.46488763      9.93335764    -14.32011287
  O     13.74998677      8.46725891    -10.58021430
  H     14.85479835      9.06449725     -9.20479571
  H      9.80254464     10.86936282    -16.26031827
  O     11.11287215     12.05762186    -13.83923150
  H     14.02775030     10.98188971    -12.41040503
  H      8.92763327     12.07413282    -16.68757186
  O     15.81909250     12.75388217    -10.80811294
  H     12.93837268     11.57613954    -11.42689011
  H     16.76044115     10.29928099     -9.43925639
  O     14.87084318     10.75285352    -14.00836028
  H     13.56383616     12.24353127     -7.98825256
  H     18.29531050     10.47886349     -9.49301928
  O      9.75586593     11.84290724    -16.27721657
  H     13.22405160     11.54085945     -6.65579000
  H     15.34141350     13.97197117    -12.00604137
  O     17.48779185     10.70213990     -9.94742659
  H     11.74688150     13.51229723    -11.09999492
  H     15.64239713     15.19116229    -12.90456881
  O     14.93360151     14.63334299    -12.59230800
  H     11.13301276     12.49849268    -12.11488113
  H     10.40990074      9.03151181    -15.16443573
  O     10.18050002      9.17371505    -16.09298269
  H     13.99459028     13.68449348    -14.04677785
  H     10.99696367      9.03219422    -16.58907003
          69
 Energy    -249.05853288266920     
  O     14.40176370      9.82584795    -10.70959232
  H     15.11553689      9.89849233    -10.06389764
  H     12.80559003      8.95191073    -10.51653711
  O     14.90667147     10.81354627    -16.63826479
  H     14.54860026     10.46516174    -11.41918377
  H     18.77064483      7.76149343    -13.25319829
  O     17.57049810     10.93068067    -13.04941055
  H     14.90169670     11.68287904    -16.21908553
  H     20.01066175      7.15465262    -12.56981480
  O     12.41548447      5.36574902    -13.75482392
  H     14.34847726     10.25504705    -16.08167301
  H     16.17621422     13.05833011    -15.18176663
  O     15.85437712      6.93333548     -8.62371108
  H     17.92614965     10.63056272    -12.20052250
  H     15.05878562     14.12891412    -15.21696374
  O     17.82889448     12.47783532    -15.34020475
  H     16.61142646     11.01123513    -12.96755166
  H     14.31111578      8.54976245    -14.72752045
  O     15.06934182      7.38743549    -11.94138519
  H     13.15879211      5.08247126    -14.29894738
  H     12.87293392      8.86202638    -14.24045716
  O     14.78844486     11.24524133    -13.06707642
  H     12.65936147      5.12748942    -12.84843109
  H     16.56663149     10.31651663    -16.93121905
  O     18.51187281      9.72518325    -10.80621680
  H     16.34086461      6.43244964     -9.29216727
  H     17.69703362     10.05245999    -17.95184775
  O     14.92187538      4.71915539    -15.01858239
  H     14.92698353      6.67378569     -8.67967408
  H     10.62529541      7.96082925    -13.60185371
  O     15.88081145      3.99285614    -12.36918772
  H     17.90918665     12.03448126    -14.48210925
  H     11.82554475      6.99006008    -13.53876465
  O     12.09597308      8.29333354    -10.51454800
  H     17.88289677     11.77387826    -15.99662562
  H     12.43414352      6.26694750     -8.07758543
  O     19.08798635      7.35819833    -12.43009638
  H     14.83876053      8.20723061    -11.48943980
  H     12.63900679      7.06677630     -9.38597264
  O     15.21931772     13.20132291    -15.06790867
  H     15.83169735      6.99047136    -11.49676580
  H     13.29220545      5.30993886    -10.35117941
  O     13.64902396      9.25262740    -14.66009301
  H     14.83565535     12.02359378    -13.63568681
  H     14.00984540      5.92881883    -11.55590890
  O     17.51655880     10.11829562    -17.01792843
  H     14.37117493     10.54865082    -13.59549715
  H     16.85371658      5.16763136    -11.40975576
  O     11.54480149      7.90387943    -13.35258099
  H     18.72836409      8.85662313    -11.16222602
  H     17.90845205      6.31940279    -11.40752673
  O     13.02517060      6.37568675     -8.81761325
  H     17.87079802      9.59578691    -10.09611408
  H     16.48828114      7.76407876    -14.66767863
  O     13.56754329      5.11922263    -11.25415200
  H     15.21886000      5.64374508    -14.96630035
  H     15.42305802      7.31570781    -13.62683945
  O     17.18182338      5.92996107    -10.90668999
  H     15.13539887      4.41058279    -15.89542864
  H     16.26586750      8.60180856     -8.69301633
  O     15.63802635      7.31790548    -14.57523719
  H     15.04959034      4.15185014    -11.89946109
  H     16.60936082      9.93043258     -7.97462556
  O     16.47745329      9.54244971     -8.83558511
  H     15.66401538      4.10777966    -13.30124326
  H     17.99640353      9.08850393    -15.52910637
  O     18.03575430      8.73595142    -14.63122124
  H     11.87011189      8.14759385    -11.44002685
  H     17.87496366      9.49619505    -14.04960407
          69
 Energy    -249.05838939333495     
  O     -4.73303656     -3.30214544     -3.09922682
  H     -4.47680294     -3.42363132     -4.02139433
  H      3.94874883     -3.07368778     -0.73928081
  O     -4.82584913     -0.59366650     -2.76976367
  H     -4.14798497     -3.87678490     -2.58823034
  H      0.25146092     -4.45949055     -4.32330445
  O     -3.56128436     -3.30530051     -5.73046373
  H     -4.83257731     -1.56682092     -2.81537757
  H      1.12167963     -5.48196314     -5.08936189
  O     -0.39694544      0.58009899      0.51411751
  H     -5.72318594     -0.32231893     -2.59548978
  H      2.68723580      1.43024900     -0.87810646
  O     -2.63775630     -4.62823391     -1.74262628
  H     -3.51712700     -2.33417747     -5.66530626
  H      2.02457574      0.13843292     -1.41269710
  O      1.39799952     -2.62970305      1.80838673
  H     -3.89951172     -3.51032255     -6.59746252
  H      0.75563002     -3.64752813     -1.07509707
  O      3.11180726     -2.82164673     -3.81549469
  H     -1.03880251      0.46613768     -0.19686928
  H      0.82865250     -2.13099375     -1.41502971
  O     -1.36597367     -3.80466538     -4.05279272
  H      0.47807914      0.64801222      0.11256118
  H     -1.65352063     -2.00506615      2.90818650
  O     -0.38916908     -4.86914710      2.09226060
  H     -2.07129428     -5.29943603     -1.33342971
  H     -2.95324131     -2.66670998      3.42464565
  O     -0.99090732     -1.01837396     -3.71260722
  H     -2.61030272     -3.87641818     -1.13346197
  H     -0.45424654     -0.20317604      2.03952795
  O      1.61822089     -5.17033793     -1.63795260
  H      1.07415080     -2.64221586      0.89326804
  H     -0.15860832     -0.04686318      3.55086915
  O      4.09292198     -3.83357218     -1.33014150
  H      0.87632944     -1.96229505      2.26821583
  H      3.25342923     -0.89027542      0.07336122
  O      1.14832790     -4.82761249     -4.39570939
  H      3.55627534     -3.18799974     -3.03967774
  H      2.98055037     -2.07266000      1.01442497
  O      2.23964419      0.63428673     -0.60159475
  H      2.50686813     -3.50542432     -4.12910423
  H     -0.68131958     -5.78130849      0.49780022
  O      0.44974749     -2.77213043     -0.80253239
  H     -1.77335947     -4.12933138     -3.23571307
  H      0.10095936     -5.99484747     -0.80801705
  O     -2.26047263     -2.75129083      2.77440054
  H     -2.06838923     -3.72967818     -4.71141931
  H      2.13205839     -1.51144993     -3.15011841
  O     -0.42093460     -0.68097179      2.88897151
  H      0.37371000     -4.27821457      2.08820339
  H      0.70748030     -0.85006479     -3.16866104
  O      3.60282481     -1.74468056      0.35012666
  H     -1.11255700     -4.32397957      2.42026308
  H     -2.28229879     -2.65420611      0.92558311
  O     -0.76767690     -6.11566187     -0.40662447
  H     -1.44411083     -0.72555692     -2.90767675
  H     -1.23404826     -2.65826957     -0.23686631
  O      1.53448090     -0.91764227     -2.67292086
  H     -1.09654754     -1.97775803     -3.77580952
  H     -2.45133876     -0.60865638     -4.86202987
  O     -2.17338763     -2.53301035     -0.02387362
  H      2.50656433     -4.83103022     -1.46743905
  H     -3.93213274     -0.47534982     -4.48017260
  O     -3.34558486     -0.64385692     -5.22845282
  H      1.49482559     -5.16207462     -2.59630946
  H     -3.24392137     -0.16879625     -1.82728316
  O     -2.36792438     -0.21182238     -1.42460071
  H      4.95432313     -4.18272363     -1.11644658
  H     -2.36404994     -1.02075888     -0.88739687
          69
 Energy    -249.05838759844008     
  O     -4.14219973     -4.58705115     -3.05833100
  H     -3.93256494     -4.47563008     -3.99344870
  H      3.94770023     -1.30335877     -0.87511547
  O     -5.23845983     -2.19914032     -2.31724104
  H     -3.34342297     -4.94998135     -2.65355133
  H      0.79235457     -3.53406666     -4.54982116
  O     -3.26989855     -3.78399625     -5.68329846
  H     -4.87574986     -3.08239340     -2.51078993
  H      1.92430545     -4.02482045     -5.48117278
  O     -1.35212477      0.16357506      1.01318534
  H     -6.15457547     -2.32516606     -2.08471295
  H      1.05144880      2.32629469     -0.29767216
  O     -1.59895949     -5.15731708     -1.96470364
  H     -3.59580101     -2.89057148     -5.47151994
  H      0.89394283      0.96152233     -1.00921421
  O      1.63075404     -2.23183135      1.76379321
  H     -3.57092397     -3.98779227     -6.56419590
  H      1.20175021     -3.02787616     -1.22706139
  O      2.83824898     -0.99284821     -3.85840846
  H     -1.95538177     -0.09655242      0.30687192
  H      0.66162709     -1.57260353     -1.33290494
  O     -0.92576766     -3.60452145     -4.14831938
  H     -0.60435082      0.62012096      0.60830029
  H     -1.33035545     -2.99952452      3.01029824
  O      0.86560328     -5.00733241      1.74002064
  H     -0.78831499     -5.60193560     -1.67487703
  H     -2.23231013     -4.17821345      3.44728634
  O     -1.62022245     -0.96458568     -3.39452714
  H     -1.81350493     -4.54234716     -1.24856572
  H     -0.98483575     -0.77458549      2.40192977
  O      2.53431961     -4.00410615     -2.03400379
  H      1.26528231     -2.24834616      0.86455196
  H     -0.65354242     -0.71709648      3.91286497
  O      4.32469483     -1.86110461     -1.57805268
  H      0.93136243     -1.88828670      2.33110709
  H      2.53603609      0.30695862      0.27596032
  O      1.75308952     -3.50994130     -4.69655554
  H      3.44881760     -1.25595717     -3.15723777
  H      2.81157066     -1.00151266      1.03099611
  O      0.96601519      1.38975570     -0.13660685
  H      2.51848265     -1.81038998     -4.25994036
  H      1.51881762     -5.45739900     -1.30785938
  O      0.60657498     -2.38577054     -0.81762865
  H     -1.11201603     -4.16759061     -3.38199424
  H      0.82004413     -5.74116263      0.03150355
  O     -1.61390682     -3.89857926      2.77698307
  H     -1.65296245     -3.72306662     -4.77276614
  H      1.48741759     -0.26959061     -2.98012546
  O     -0.70433135     -1.30948426      3.16753507
  H      1.34114386     -4.17058286      1.81012524
  H     -0.07848209     -0.22041048     -2.86731409
  O      3.20648013     -0.37185904      0.41158634
  H      0.01688590     -4.83650426      2.16261128
  H     -1.81705615     -3.57361336      0.96558825
  O      0.79714236     -5.95960567     -0.91135733
  H     -2.08600585     -0.98132171     -2.54493330
  H     -0.94232026     -3.01416819     -0.20573984
  O      0.74771334     -0.02494289     -2.40531503
  H     -1.35521861     -1.87155842     -3.60128919
  H     -3.21190988     -1.00891663     -4.43685518
  O     -1.83808763     -3.29485662      0.04370405
  H      3.23550731     -3.37078662     -1.83250434
  H     -4.59587494     -1.51589126     -4.00797126
  O     -4.05045187     -1.34138080     -4.78540985
  H      2.34197268     -3.91779351     -2.97702825
  H     -3.87065412     -1.31958244     -1.35447740
  O     -3.01611215     -1.07030100     -0.98165929
  H      5.26810012     -1.87125684     -1.43853106
  H     -2.66057031     -1.87702685     -0.57451448
          69
 Energy    -249.05814590722042     
  O     -3.34113181      1.03640118      0.32002884
  H     -3.54533578      0.78726084      1.23826140
  H     -0.86313008     -3.30476383     -1.80719663
  O     -3.85584750     -1.41609886      7.15401485
  H     -3.65806951      1.92803880      0.20153926
  H     -1.84820057     -5.24980660      0.97259815
  O     -1.23447414     -0.26371347      3.80236208
  H     -2.95529450     -1.54225318      6.80899252
  H     -0.31689127     -5.23529881      1.04717821
  O     -3.79037036      0.13048767      2.84286547
  H     -3.76693044     -1.18377390      8.07476938
  H     -1.02027079     -1.59323928      0.95869228
  O      1.19717222     -2.23950850      5.48563692
  H     -1.35430553     -0.79952129      4.59936769
  H     -1.15184757     -1.53619466      2.50098655
  O     -4.67113824     -3.83939777      5.84318432
  H     -0.28651776     -0.10724205      3.70141967
  H     -2.26925324     -3.43225001      1.86828890
  O     -1.47986420     -1.99635268      5.95443837
  H     -2.88990608      0.07347215      3.19161109
  H     -3.78484718     -3.63301086      1.96738703
  O      0.67369397     -4.88282547      4.46889717
  H     -4.39269942      0.10500621      3.60104320
  H     -4.56289168     -1.48014148      2.22212404
  O     -6.56837999     -2.83515669      4.18077660
  H      1.15451481     -3.14529751      5.15376951
  H     -5.66899565     -2.49457021      2.59191766
  O     -0.95524431     -0.32838585     -0.39392574
  H      1.42352595     -1.67678349      4.73538188
  H      1.39105411     -3.38570892     -0.87724116
  O      0.95218179     -4.01637468      1.92546784
  H     -4.44716426     -3.09253865      6.41240919
  H      2.93381787     -3.44521970     -0.98438020
  O     -0.14199596     -3.86243836     -1.49643388
  H     -3.83345755     -4.17996110      5.50462987
  H      1.60534730     -0.40197640      2.42809573
  O     -1.05495046     -5.55931339      0.51632259
  H     -1.76787722     -2.80848765      5.51165473
  H      2.18237520      0.42159473      3.59665597
  O     -1.07163997     -2.13980845      1.75216308
  H     -0.51207275     -2.02715944      5.97867507
  H      1.94455714     -1.41273241      0.28690691
  O     -2.94676783     -4.10413493      2.04638919
  H      1.15886863     -5.68745384      4.63373616
  H      0.82701684     -0.35415063      0.23951572
  O     -5.03228386     -2.26391607      1.90395889
  H      0.84151434     -4.63708231      3.54201123
  H     -2.45029736     -1.96557300     -3.17771439
  O      2.22221574     -3.14970686     -0.42367286
  H     -5.91950786     -3.27726609      4.75732836
  H     -2.99296723     -1.94341006     -1.73153329
  O      1.54059507     -0.25300565      3.38742598
  H     -7.41243060     -3.24362212      4.35219965
  H     -4.90916565     -0.59981747      5.78125686
  O      1.65403754     -0.58236747      0.68400110
  H     -1.25908822     -0.86516132     -1.13787393
  H     -5.94024726     -1.09332726      4.75157795
  O     -2.18441113     -2.04237683     -2.26499408
  H     -1.69335777      0.24626683     -0.15316862
  H     -2.44705636     -4.35480206      3.76327389
  O     -5.40474518     -0.32913609      4.99826621
  H      0.27570613     -3.32244196      1.88460589
  H     -1.21857399     -4.68728547      4.65631101
  O     -2.13133055     -4.37606978      4.67884706
  H      1.56230282     -3.82594195      1.20388007
  H     -4.10526442     -0.55183424     -0.45636116
  O     -4.32414839     -1.45713679     -0.71035412
  H     -0.53727058     -4.52231860     -0.90814863
  H     -4.68193460     -1.86797718      0.08658638
          69
 Energy    -249.05756544179820     
  O     12.15093241     10.39467649    -15.56928394
  H     12.58651581     11.20300502    -15.27522924
  H     16.74057004      6.29966484    -14.80192083
  O     16.39796876      6.85533510    -13.06560372
  H     12.60236321     10.12608805    -16.37890050
  H     18.74513048      9.16033783    -14.69715627
  O     16.57342390     10.99142276    -11.22150398
  H     16.97606044      7.31456528    -12.44241403
  H     18.78154486      9.03452133    -13.13777554
  O     16.15303596     11.61789612    -15.10685884
  H     15.55737421      6.68027018    -12.62043646
  H     15.81117569      8.38492819    -13.87339116
  O     14.24367402      7.30704596    -16.26438130
  H     17.15272105     11.48591249    -11.81342800
  H     14.88021346      8.59452532    -15.06770559
  O     13.43966484      8.52598209     -8.82595871
  H     15.70679204     10.94780600    -11.65222252
  H     11.31594396      9.37235841    -14.41783294
  O     13.91794501      6.55029994    -11.83838709
  H     15.95926823     10.69216472    -14.88468851
  H      9.93850812      8.84441745    -13.95578770
  O     14.16065425     10.74828744    -12.54139114
  H     16.87733527     11.89438940    -14.53350479
  H     16.64465849      8.38035729     -8.80467254
  O     16.27314113     10.15739636    -17.49164163
  H     13.85767973      7.91851023    -16.89936338
  H     16.27891536      6.91738793     -9.09843076
  O     14.54012899      6.06236475     -9.13125413
  H     13.54956987      6.97304004    -15.67477739
  H     12.96207459      6.32941495    -13.50798013
  O     18.30307036      8.43108903    -16.40670213
  H     12.96563069      8.72635998     -9.64452723
  H     11.85933271      7.20504047    -14.13741745
  O     16.79117783      6.29559060    -15.76817330
  H     14.16494524      9.15964360     -8.76283173
  H     18.95658414     12.69307364    -13.22496845
  O     18.99181327      9.61285633    -13.88163647
  H     13.43007131      7.37393231    -11.69966216
  H     18.57585075     11.21614292    -13.49940797
  O     15.32394828      9.06713955    -14.35271463
  H     14.12267980      6.21119496    -10.95812538
  H     17.48444144      9.34103121    -11.41643357
  O     10.87306603      8.79296946    -13.77265283
  H     14.48819782     10.08426622    -13.17119002
  H     17.78561543      8.05440461    -10.62728416
  O     17.02015016      7.53456666     -9.07932011
  H     13.86587101     11.49748661    -13.07107635
  H     16.11415144     10.51143207     -9.54213547
  O     12.48808699      6.49927590    -14.33158950
  H     16.29993633     10.85730403    -16.82655567
  H     16.04739508     10.77492739     -8.02342404
  O     18.21846158     12.09084194    -13.25155869
  H     16.95255202      9.52880015    -17.21704354
  H     13.40936931      9.62376176    -18.78067839
  O     17.94154521      8.49238887    -11.47749337
  H     14.23297796      5.43053680     -8.48665086
  H     14.58108824      9.76928653    -17.78337960
  O     15.81392653     10.14030316     -8.69711040
  H     14.09522259      6.90708716     -8.93402882
  H     13.02812894      9.63961618    -11.72017663
  O     13.63307666      9.55845432    -17.85599728
  H     17.78794761      7.62999207    -16.20159811
  H     11.76966598      8.85368922    -12.12235428
  O     12.43937719      8.92700571    -11.43132562
  H     19.04432222      8.14751160    -16.93642570
  H     14.56464035     12.36600331    -14.84832641
  O     13.66168012     12.62113244    -14.58992415
  H     15.89817952      6.51689337    -16.06921408
  H     13.58039500     13.55777835    -14.74770061
          69
 Energy    -249.05725188768068     
  O     12.76307050     13.37346896    -12.04678750
  H     13.40482732     13.40778619    -11.32689170
  H     12.21735311     10.17943138    -13.72230469
  O     19.96410317      7.18394397    -12.17277125
  H     12.33157097     12.51220382    -11.98292786
  H     15.26150214     10.03383257    -13.50712477
  O     18.00609380     11.26324478    -12.03630005
  H     20.21198975      7.63173850    -13.00075694
  H     15.14189157     11.59913312    -13.49311597
  O     15.31431375      6.44355530    -12.54153140
  H     20.75965850      6.78682219    -11.82780532
  H     12.62194036     12.00250650    -17.04351940
  O     17.88273773      5.90649897    -13.63176087
  H     17.93416181     12.14482998    -11.65746739
  H     12.94259056     11.12436578    -15.81007584
  O     14.42159902     13.13710374    -14.21173948
  H     17.12759246     11.06356700    -12.39983898
  H     16.56957247      8.30288920    -10.40587704
  O     17.06669600      9.03741112    -15.86837655
  H     15.42141974      6.99909553    -11.74714505
  H     15.13007137      8.86491129    -10.30360195
  O     18.25235993      8.84065945    -10.61044520
  H     14.75050793      5.71559544    -12.29446999
  H     20.04913727      9.22826846    -14.61843787
  O     16.08748436     11.42844043    -16.99791477
  H     18.54079649      6.26669483    -13.02347393
  H     19.96247965      7.80792134    -15.21644350
  O     18.60615736      6.72526345    -16.09764102
  H     17.01916117      6.06163725    -13.23135064
  H     16.00622276     13.95108577    -14.02737311
  O     18.14147446     12.94575248    -16.09620811
  H     13.97607384     12.81354705    -15.00306476
  H     17.43210620     13.86722458    -14.59588522
  O     12.46331909      9.95789745    -14.62746916
  H     13.75590677     13.30842085    -13.52916344
  H     17.95753888     14.55899031    -10.93188255
  O     15.50152054     10.83511551    -13.02444584
  H     17.67892854      9.59361148    -15.36559837
  H     17.18328898     14.07688253    -12.18181513
  O     13.30339389     11.80469556    -16.40702731
  H     17.55144996      8.23356362    -16.09354991
  H     15.70949487     13.51699137    -10.43066752
  O     15.63206816      8.05249522    -10.42662261
  H     18.26301003      9.70292622    -11.04556214
  H     14.81091696     13.82712059     -9.21728871
  O     20.45063966      8.34870092    -14.58391362
  H     18.86611471      8.28237389    -11.10246188
  H     18.79456684     11.50566035    -15.10638689
  O     16.92130589     14.22214439    -13.85987075
  H     15.13827172     11.51845908    -16.85768786
  H     18.71827767     10.91897571    -13.67055533
  O     17.31045983     13.92338000    -11.22630498
  H     16.32682668     10.52771443    -16.74161362
  H     11.16575182     10.25065468    -11.37775457
  O     14.85921556     13.30456208    -10.01481597
  H     18.74065546      5.98414323    -16.68105047
  H     12.68741225     10.51542825    -11.34731113
  O     18.93925468     10.70494953    -14.58761006
  H     18.31751755      6.36223581    -15.23937186
  H     14.75437578     10.61077275    -11.43910787
  O     11.88183109     10.63624868    -11.87698036
  H     18.57432634     13.36226584    -16.83672462
  H     14.49190733     11.42999080    -10.16805649
  O     14.30978888     10.57585322    -10.57582007
  H     17.37381333     12.46461750    -16.45595868
  H     15.58694151      8.59370154    -14.94608294
  O     14.81879491      8.50681035    -14.36349631
  H     13.20366937      9.33668776    -14.56751674
  H     14.96960225      7.75319111    -13.77912812
          69
 Energy    -249.05674883928197     
  O      2.22972765     -0.09873912     -3.23480164
  H      1.80441585      0.61425035     -2.74200907
  H      1.48101933     -1.02273180     -0.22624214
  O     -1.37452889     -1.90704874     -0.96215770
  H      1.66420034     -0.25537387     -4.00174672
  H     -5.56766203     -4.11473503     -4.77311597
  O     -3.68073860     -0.41782502     -4.27536434
  H     -0.78786043     -2.60195073     -1.29793811
  H     -5.67897845     -3.02261899     -5.84969245
  O     -5.88522845     -1.55395482     -2.90098369
  H     -2.27149454     -2.26039025     -0.97795056
  H     -1.39190377     -0.57975771     -2.21514960
  O     -3.84740449     -0.04958139     -6.99843523
  H     -4.43754279     -0.65168285     -3.72416965
  H     -0.79820520      0.82396019     -2.47240201
  O      0.64385183      1.65268780     -1.59418472
  H     -2.97251966     -0.08346935     -3.70777280
  H     -3.84288145     -4.80690176     -1.42861161
  O     -4.87580729     -2.66410010     -7.51268647
  H     -6.74770925     -1.19390485     -2.71494215
  H     -4.19109464     -6.16986133     -0.78786548
  O      0.15287363     -0.55656633     -5.10001693
  H     -5.99214710     -2.17204068     -3.64867750
  H     -0.80960278     -5.56209505     -6.26685349
  O     -1.70754873     -6.45516991     -5.13122535
  H     -3.84651136     -0.06102365     -6.02948339
  H      0.27446937     -5.51765394     -7.37268690
  O     -2.68001351     -3.06875240     -4.13899900
  H     -4.32754804     -0.84394502     -7.26222691
  H      2.53963515     -1.40343842     -2.09577748
  O     -1.03278295     -6.15559443     -2.45515896
  H      0.78394707      2.49677475     -1.17465835
  H      3.55239667     -2.23665087     -1.27564236
  O      0.77539086     -0.45630559      0.11060247
  H      0.70533702      0.97518829     -0.89592270
  H     -3.34260512     -3.07737901     -2.48147543
  O     -6.00565340     -3.27773657     -4.97756414
  H     -3.93146622     -2.89343735     -7.57972877
  H     -4.63023275     -2.51496724     -1.85855390
  O     -1.38850652      0.15712629     -2.84363523
  H     -5.28864557     -2.98782385     -8.30964142
  H     -4.19255227     -5.67420976     -3.43601955
  O     -3.75691351     -5.76828367     -1.53634811
  H     -0.29541357     -0.40238082     -5.94126715
  H     -3.66150900     -4.58041970     -4.38463137
  O     -0.30036802     -4.96671241     -6.84935206
  H     -0.44277534     -0.28311022     -4.38788034
  H      0.35186249     -3.62112257     -2.96224551
  O      2.62065919     -2.06880267     -1.38907449
  H     -1.36432098     -6.42753694     -4.22517520
  H      1.24227207     -3.30293917     -1.73508270
  O     -3.83487831     -3.01698474     -1.64510850
  H     -2.64960345     -6.26970815     -5.05083959
  H      0.19645891     -2.34128165     -4.92191869
  O     -4.23176743     -5.36645441     -4.34966916
  H     -2.97590739     -2.18748591     -4.39754379
  H      0.07297154     -3.81545781     -5.46341897
  O      0.42286965     -3.73746108     -2.00141442
  H     -1.74253102     -3.15294406     -4.34850654
  H     -0.96175374      0.14174347     -8.30514601
  O      0.06091222     -3.26551604     -4.67072137
  H     -0.50010364     -5.40518372     -2.16462147
  H     -2.16000588     -0.16291040     -7.37487026
  O     -1.21719691     -0.35353315     -7.53111562
  H     -1.89657561     -6.05952875     -2.03738722
  H     -1.56122341     -3.74008797     -7.49721902
  O     -2.19987140     -3.06549333     -7.75558761
  H     -0.04487000     -0.93904876     -0.06323585
  H     -1.74301924     -2.21745937     -7.71319036
          69
 Energy    -249.05664650882812     
  O     -4.82155007     -0.71379774     -3.82238843
  H     -4.33709328      0.01352665     -4.23206614
  H      2.27332883     -5.99601144     -2.73555489
  O      0.83335508     -3.92329769      1.38641727
  H     -4.80738640     -1.42894845     -4.47077762
  H     -1.05480711     -4.81302686     -1.11317624
  O     -2.43494995      0.11302729     -0.09510954
  H      1.65004541     -3.75668294      0.88167298
  H      0.04952876     -4.95704434     -0.04934333
  O     -0.55466624     -1.94547608     -0.05476705
  H      1.09624923     -4.14990143      2.27376911
  H      0.78689204     -0.77690753     -6.15326016
  O      1.33090207      2.13414214     -4.30806368
  H     -3.18588946     -0.37490825     -0.45409285
  H      1.59086221     -1.22190338     -4.89655344
  O     -2.72253330     -0.93398971     -7.16896181
  H     -1.75524145     -0.55235878      0.08367688
  H     -3.14289547     -2.93864857     -1.33875249
  O      0.12189200     -3.78914804     -5.73993202
  H     -1.14517766     -2.48102554     -0.60466106
  H     -2.24160561     -3.48086091     -2.46623889
  O     -4.44417103     -1.56506072     -1.26611658
  H     -0.14504602     -2.54787254      0.57824478
  H     -1.75531014     -2.21168233     -3.98135569
  O      1.67782370     -1.16288579     -1.51181271
  H      0.45619062      2.51524454     -4.44614751
  H     -1.31056846     -3.49700330     -4.73414511
  O     -1.12899125     -0.56243241     -3.70944299
  H      1.34539111      1.28620718     -4.77441205
  H      0.07648869     -1.53154705     -8.48147928
  O      1.90317068     -2.69365177     -3.80950909
  H     -2.85663609     -0.14948285     -6.62030185
  H     -1.06011344     -1.34439121     -7.44976569
  O      2.04162560     -5.12651427     -2.42011556
  H     -3.31681075     -1.60375117     -6.81029796
  H      2.80073481     -4.04787217     -1.00430878
  O     -0.23298050     -5.27891829     -0.91460876
  H      0.07236673     -3.13987803     -6.45284211
  H      2.66282713     -2.55098330     -0.67709706
  O      1.16790867     -0.46325523     -5.32216754
  H      0.78193812     -3.45247573     -5.11875518
  H     -3.49870523     -3.00831641     -5.13663169
  O     -2.37128923     -3.49393168     -1.50615257
  H     -5.30894171     -1.63830119     -0.86984151
  H     -4.69155209     -3.64378578     -5.89061030
  O     -2.01981434     -3.11996581     -4.19438877
  H     -4.58316803     -1.23636324     -2.17167935
  H     -2.35453902      0.35431579     -4.67580963
  O     -0.11868606     -1.57275686     -7.54915969
  H      1.77301672     -0.20410395     -1.52706764
  H     -2.56986393      1.84082258     -4.96827877
  O      2.90588002     -3.40424005     -0.29224905
  H      0.85786214     -1.36899053     -1.03951934
  H     -1.60667000      4.04620323     -3.94336511
  O     -4.28643757     -2.80858318     -5.67303239
  H     -1.08316499      0.09653206     -3.00613849
  H     -1.36937756      2.66233163     -3.29645177
  O     -2.95121569      0.97122363     -5.12864136
  H     -0.31371443     -0.50039408     -4.22540618
  H     -1.59961359      1.18449427     -1.19134733
  O     -1.40037398      3.13705850     -4.14625191
  H      1.80034607     -2.11280033     -3.04074189
  H     -0.16009358      1.65050632     -1.62455356
  O     -1.08558625      1.61042172     -1.89414930
  H      2.03400365     -3.57551656     -3.43771307
  H      1.67999657      1.85692120     -2.62687249
  O      1.72924209      1.64754577     -1.67605721
  H      1.19334308     -5.21714018     -1.95097975
  H      2.35763593      2.25153196     -1.29000388
          69
 Energy    -249.05599217602494     
  O     14.17194402      9.49882104    -10.50344337
  H     13.86387487     10.10696454    -11.18889737
  H     18.19072305      4.65625628    -12.53445250
  O     13.84786987     10.11669906    -16.32824198
  H     14.85810307      9.93167230     -9.98018025
  H     12.35371189      6.95871469    -10.63258166
  O     16.14617311     11.16816237    -13.54232960
  H     13.86171435     11.01754558    -15.98046935
  H     13.15654319      8.09757020     -9.97448948
  O     13.64059968      4.58961902    -12.83067453
  H     13.23103869      9.63165041    -15.76940228
  H     18.55971856      7.89159006    -13.75376351
  O     16.91485777      7.74040198     -8.52624124
  H     16.78177510     11.19335948    -12.81254175
  H     17.92178066      8.21173434    -15.13039301
  O     15.72955289      7.61871423    -11.88966986
  H     15.30461508     10.87743576    -13.16751689
  H     15.05049515     12.26915897    -14.51533474
  O     13.42331566     10.83408320    -12.78152242
  H     14.25853991      4.62986505    -12.08686333
  H     14.36685668     13.52186683    -15.10535232
  O     18.40595091      8.27222137    -11.96108948
  H     14.19062741      4.49258438    -13.61481457
  H     12.10745094      7.95336372    -13.53497704
  O     17.80088866     10.94077641    -11.39804593
  H     16.18644705      7.11490525     -8.43330006
  H     13.41167066      8.11077453    -14.31659881
  O     18.17940336      4.90791352    -14.45980068
  H     17.64056210      7.27030707     -8.95379162
  H     10.86474913      6.01965690    -12.40091529
  O     15.49738079      4.62150474    -15.06413424
  H     15.16500165      8.24836714    -11.42446498
  H     12.37989331      5.78605665    -12.58066891
  O     18.17157793      4.56213159    -11.57638355
  H     15.40777770      7.52328808    -12.79653823
  H     14.28574271      5.58885257     -7.56638280
  O     12.75560941      7.23326554     -9.80108895
  H     13.06011864     10.06071248    -13.24134378
  H     13.92859751      6.40032130     -8.83491520
  O     18.47021052      7.57137681    -14.66308287
  H     13.39745682     11.56817247    -13.40371982
  H     15.63457238      5.97080338    -11.20975587
  O     14.22282420     12.60106189    -14.90335125
  H     18.81609083      7.73815656    -11.27150027
  H     15.26379475      5.17714850     -9.94036292
  O     12.58171797      8.56812165    -14.10713339
  H     17.45829602      8.06462546    -11.92580782
  H     18.82188985      5.74561745    -10.47836273
  O     11.70929165      6.46376504    -12.38224037
  H     17.35921960     10.84622323    -10.54594605
  H     19.91883409      6.20293516     -9.48800733
  O     14.65831717      5.95993126     -8.36128591
  H     18.16858911     10.06742873    -11.59483800
  H     15.56781797      7.92667074    -14.96362186
  O     15.54971938      5.07087063    -10.85501451
  H     18.29661685      5.87074943    -14.56068163
  H     15.13867717      6.42004769    -14.81513050
  O     19.10458028      6.47737081     -9.90104699
  H     18.95019229      4.49804449    -14.84447971
  H     16.60029812      9.42234291     -8.79822500
  O     14.96440675      7.31846923    -14.51491721
  H     15.41642627      4.13457713    -15.88093566
  H     16.43092579     10.82487016     -8.16730293
  O     16.36521203     10.34870200     -8.99067997
  H     16.44249338      4.64163069    -14.84265925
  H     15.63275720      9.57690060    -16.09613778
  O     16.45323932      9.35152406    -15.63375272
  H     17.23741038      4.58275803    -11.32023642
  H     16.50711210      9.98398885    -14.90192604
          69
 Ord_Energy   -249.055908    
 O    2.65236807       3.29270864       2.39998746    
 H    1.92675078       3.92721128       2.27124715    
 H    3.15689898       3.59788013       3.15061903    
 O   -1.57516682       4.96178961       3.61165547    
 H   -2.31519723       5.10190821       3.00691843    
 H   -1.66637957       4.05544090       3.93383169    
 O   0.382821202       3.82891464      -3.57482409    
 H   0.933662415       4.00352383      -4.35022402    
 H   0.371395022       2.86695194      -3.46882534    
 O   -3.57564759       4.95760393       1.56522501    
 H   -3.44319010       3.99654412       1.50970292    
 H   -4.51858139       5.09937191       1.61369216    
 O    3.31635761       3.02885151     -0.329264760    
 H    2.85699391       3.78150368     -0.730124176    
 H    3.22162867       3.10903668      0.627783239    
 O    2.96252322       1.24200571      -4.69557524    
 H    3.54022598       1.61357772      -4.00512552    
 H    3.48234415      0.598218262      -5.16981030    
 O   -2.93127298       2.27081871       1.60822690    
 H   -2.98159862       1.42512465       1.14298415    
 H   -2.60224891       2.11400914       2.50419283    
 O   0.487938464       4.87311220       1.83756995    
 H  -0.163574278       4.98327732       2.54573536    
 H   0.106526412       4.24786854       1.20018291    
 O   -2.28602338       6.17556095     -0.707463443    
 H   -1.39480293       6.46902037     -0.487538695    
 H   -2.68195248       5.84420919      0.108551949    
 O   -2.75523305      -3.36931385E-02   6.13663793E-02
 H   -3.32367039     -0.783418000      -9.35050175E-02
 H   -2.55191898      0.345717162     -0.813173950    
 O    2.35149455       3.96330404      -5.49284124    
 H    2.57281971       3.02907968      -5.38559771    
 H    3.01948166       4.44971085      -4.99397421    
 O   -2.01454520       3.90828156      -2.22289300    
 H   -2.21740484       4.76614046      -1.82281423    
 H   -1.26308584       4.03134203      -2.82055402    
 O    4.07408047       5.22613096      -3.54919648    
 H    4.55639791       6.04868793      -3.52929425    
 H    3.37437224       5.29435349      -2.87865543    
 O    4.49780560       2.49351573      -2.82864046    
 H    4.53970528       3.41124463      -3.12560058    
 H    4.22791958       2.54006886      -1.90224051    
 O  -0.714453399       3.11928606      0.118135244    
 H   -1.13300872       3.41865993     -0.700263023    
 H   -1.41791916       2.76228881      0.674957097    
 O  -0.100732110     -0.358313620       1.18232536    
 H   0.449512482       2.65437402E-02  0.485507280    
 H  -0.998862088     -0.355460882      0.833270192    
 O   -2.16708374       1.09976828      -2.32178569    
 H   -1.33519149      0.938172042      -2.78414345    
 H   -2.29957628       2.05711913      -2.34707022    
 O    1.99150634       5.09935951      -1.71607304    
 H    1.48877013       5.75657940      -1.22200787    
 H    1.37861931       4.65236044      -2.31993937    
 O   -1.78658116       2.16634250       4.15711021    
 H   -1.98240256       1.69725442       4.96313858    
 H  -0.898412764       1.87940204       3.87224340    
 O   0.581914365       1.36967421       3.21838737    
 H   0.392426938      0.700819612       2.54186106    
 H    1.33879435       1.87779236       2.91494203    
 O   0.500874817       1.05010879      -3.31173062    
 H    1.29415429      0.978190243      -3.85658860    
 H   0.792582214       1.01396608      -2.38697863    
 O   0.485505104       6.82848072      -5.78300990E-02
 H   0.531255901       6.21854687      0.698608160    
 H   0.678061247       7.70103931      0.277084589    
 O    1.19088912       1.26720047     -0.670053184    
 H   0.496887118       1.88029647     -0.382142097    
 H    2.02437139       1.74126232     -0.564731121    
          69
 Energy    -249.05541486692567     
  O     -4.84129302      4.03363804      2.90854444
  H     -4.83911232      4.55081871      2.08132622
  H     -4.80670712      4.15375245     -2.60050751
  O     -3.23262280     -2.45026707      1.20361539
  H     -5.69162815      4.16605173      3.31838574
  H     -0.82014185     -1.98695751     -3.03441389
  O     -1.34449116      4.24206251     -2.04102721
  H     -3.51008769     -2.02091109      0.37438828
  H     -0.87901310     -1.74903826     -1.50711906
  O     -3.67118174      1.58165518     -1.01764319
  H     -3.80014643     -3.20694916      1.32392857
  H     -0.59842790      3.16219172      2.98720850
  O      1.52643196      4.85652091      2.22235099
  H     -1.15580646      3.30095903     -2.14311043
  H     -0.79283040      2.64274825      4.43601356
  O     -1.06569719      2.93691135      1.28299116
  H     -2.30598163      4.31881064     -2.06191479
  H     -2.32423623      7.91845108      1.73303478
  O     -1.53879801      1.13599436      5.08773470
  H     -3.69951113      1.65219030     -0.05220432
  H     -2.33331927      6.47349807      2.29125995
  O     -3.77634581     -1.24204079     -1.17149975
  H     -2.73984710      1.52840619     -1.28072971
  H     -2.64878150      2.30769250      1.55772109
  O     -2.39095044     -0.33585773      2.86210913
  H      0.92714349      5.15150293      1.52122632
  H     -4.05161641      2.54239071      2.18961117
  O      0.30405063     -0.49019823      2.04018845
  H      0.97163632      4.55683029      2.95044837
  H     -1.70957124      4.72526773      3.87606109
  O      1.77103436      1.33422395      3.49914894
  H     -0.40202781      2.36334668      0.88009190
  H     -3.21457122      4.84459351      3.53579136
  O     -4.21369361      4.13467874     -1.85318813
  H     -0.93369747      3.81987873      0.91296322
  H     -0.29238803      1.39471359     -1.28409016
  O     -1.18348582     -1.40964806     -2.36833274
  H     -1.87899548      0.54956591      4.39511878
  H     -1.06671148      0.46268742     -2.23247910
  O     -0.36211953      3.33573203      3.91276720
  H     -1.22434874      0.56283570      5.78377811
  H     -4.47175555      5.06430545     -0.23907238
  O     -2.35747703      7.00194217      1.47222443
  H     -3.92450196     -0.28797232     -1.15866082
  H     -3.86224252      6.06840378      0.77687537
  O     -3.51398908      1.89471170      1.71878293
  H     -2.98268271     -1.37045662     -1.70640792
  H      0.72313262      0.63285592      0.69463378
  O     -2.39749591      5.35153233      3.62459224
  H     -2.71905191     -1.12148483      2.40782159
  H      1.67320738      1.82503171      0.37203478
  O     -1.02321035      1.37486822     -1.91940804
  H     -2.85567698      0.41934008      2.47080777
  H     -1.42819306     -2.53171323      0.51769534
  O     -4.59629999      5.45814463      0.63277511
  H      0.85641288      0.02074712      2.64971515
  H     -0.10123578     -1.79944173      0.76480421
  O      0.87735851      1.36423103      0.07816405
  H     -0.60789233     -0.41529114      2.35182674
  H      3.88536585      2.99704173      1.12518172
  O     -0.57328161     -2.33611033      0.11474115
  H      1.15080284      2.01231359      3.78874203
  H      2.53178447      3.56474979      1.61649523
  O      2.98350913      2.75546950      1.31695315
  H      2.33118456      1.76213662      2.83926514
  H     -1.06288594      6.05281338      0.55713157
  O     -0.40669602      5.41298785      0.25313302
  H     -4.11812324      3.20186843     -1.59563098
  H     -0.66245249      5.10955436     -0.63163638
          69
 Energy    -249.05520561764899     
  O     16.44418992     10.16379688    -11.79265945
  H     15.81062170      9.43411933    -11.77770700
  H     18.03941001      4.82656468    -11.93170117
  O     15.48620318      7.16695912     -6.04096553
  H     17.32388453      9.79720146    -11.96739922
  H     16.99618419      7.90208831     -8.58186762
  O     16.19004887     12.84506373    -11.44272143
  H     15.66315566      8.11297264     -5.89454701
  H     16.72871959      6.90209214     -7.43945712
  O     13.39387433      6.71951469     -8.00088799
  H     15.45202023      6.75877347     -5.17980728
  H     18.58146286      7.88843708    -13.30731022
  O     14.67460175      7.99612319    -11.64221289
  H     15.82067025     13.26525906    -12.21508501
  H     18.63024361      6.35622210    -13.26965205
  O     18.96589318      9.11336149    -11.96769009
  H     16.22537414     11.89128136    -11.63067823
  H     17.13507874     13.35530103     -7.96976731
  O     20.66983693     11.12027744    -11.04367056
  H     13.14789092      7.54876631     -8.42609639
  H     18.12996524     14.17474368     -7.11018121
  O     19.32568292      7.14260242    -10.02423963
  H     14.01635528      6.93952397     -7.29575698
  H     15.34405254      6.64502290    -14.88740535
  O     15.56842699     13.10181704     -8.66606130
  H     14.89615604      7.29450554    -11.01157179
  H     16.55526729      6.92515105    -13.96738652
  O     12.82081362      8.98783782     -9.76830479
  H     14.85510494      7.62700883    -12.51681440
  H     17.35829126     10.02837274     -8.52453758
  O     14.39898799     10.61829166     -8.05800955
  H     19.60505795      9.80965822    -11.77272449
  H     16.76588196      9.87544279     -9.98027934
  O     18.98858041      5.04379103    -11.90219634
  H     19.05876862      8.44657830    -11.27092521
  H     18.68777965     13.20179753     -9.45651218
  O     17.17969372      6.99448517     -8.28694996
  H     20.03787487     11.82735635    -10.81999800
  H     17.97795090     13.02012219    -10.81180923
  O     18.28315495      7.09927708    -13.77875734
  H     21.46545966     11.54628640    -11.35031134
  H     16.84612799     10.11525375     -6.15108400
  O     18.06842814     13.42520238     -7.69574140
  H     18.63808370      6.99235754     -9.35939264
  H     15.32448381     10.22033102     -6.41180850
  O     15.59584044      6.75508234    -13.97451218
  H     19.31339615      6.37570507    -10.61067871
  H     14.46493329      6.00197848     -9.28171750
  O     16.71581006      9.55584929     -9.07397193
  H     15.66148301     13.06445464     -9.62610901
  H     15.98881431      6.17993918     -9.38475442
  O     18.84185403     12.98547297    -10.38458533
  H     15.04968734     12.32726817     -8.41190415
  H     20.14565803      8.63619598     -9.05064018
  O     15.98317481      9.82782311     -5.82404187
  H     13.41109776      8.70145601    -10.48272144
  H     20.56329463     10.06364946     -9.44296825
  O     15.21127550      5.90353631     -9.88913255
  H     11.93881340      8.99165657    -10.13411919
  H     18.39084569     11.63339796     -7.29115858
  O     20.34361748      9.50703432     -8.68595737
  H     15.21409151     10.21352617     -8.39755939
  H     19.15351697     10.29163085     -7.58660476
  O     18.36002531     10.67489231     -7.18192324
  H     13.69176257     10.19337980     -8.55462507
  H     15.86048956      4.93909641    -11.29289008
  O     16.30939370      4.64941536    -12.10050295
  H     19.46098403      4.22458150    -12.02478043
  H     15.97113629      5.21612649    -12.80281087
          69
 Energy    -249.05486306826296     
  O     16.86450133     11.03033304    -13.90595512
  H     16.17476288     11.66681673    -14.13129584
  H     12.75288672      8.05374370     -8.66535118
  O     15.33900970      6.69070701    -11.48379366
  H     16.46027549     10.42211169    -13.26587312
  H     14.60122106     12.21506176    -10.96874512
  O     11.68625640      8.31283005    -13.39966790
  H     15.68048429      6.36874943    -12.32825356
  H     16.05843212     12.58071541    -11.31628939
  O     13.81404076     10.69782730    -10.27513472
  H     14.38434388      6.53832882    -11.48203547
  H     14.87250424      9.87980787    -11.52877529
  O     18.57124287      9.07419797    -10.79020198
  H     12.32791117      8.90861425    -13.81135008
  H     15.39896107      8.48090547    -11.96515392
  O     13.59662527      6.06760289    -16.55085469
  H     11.39745157      7.69929922    -14.08688881
  H     17.61274911     10.01363029    -15.08719014
  O     16.25546715      6.06106229    -14.00294739
  H     12.91138340     10.47455610    -10.54868755
  H     18.56090027      9.70476734    -16.27400725
  O     13.72921829      9.91276582    -14.38780898
  H     13.98716780     10.22009739     -9.45712704
  H     12.41825218      5.03786398    -12.71771328
  O     14.62755283      3.95743143    -14.88433387
  H     19.47599455      8.94850147    -10.51231591
  H     11.81238105      5.03488367    -14.13010185
  O     14.24784716      8.92663640     -8.07981836
  H     18.48890880      8.62524527    -11.64898746
  H     18.39399073      8.30234959    -14.06537294
  O     16.42326254      7.94736390     -9.29562427
  H     14.22469268      6.79131542    -16.42376747
  H     17.77428069      7.06923572    -13.41127470
  O     11.95856457      7.63875884     -9.03736034
  H     13.99747850      5.29279429    -16.13830862
  H     11.34759537      9.01744752    -10.30479954
  O     15.13867663     12.82421115    -11.49232950
  H     15.93033130      6.76325117    -14.58404591
  H     11.29607763      9.30036874    -11.82183414
  O     15.31347641      9.39981933    -12.24296741
  H     15.81897102      5.24926394    -14.28942740
  H     12.29856345      7.13003126    -12.15145879
  O     17.93839638      9.30558852    -15.67239467
  H     13.82159000     10.87005736    -14.44949220
  H     12.32615665      6.75689316    -10.64137666
  O     12.34568822      4.50757940    -13.52239509
  H     14.25421685      9.65930057    -13.60980698
  H     10.47363978      6.25510543    -16.00858882
  O     18.36505048      7.81219562    -13.23587429
  H     13.82427635      4.08326724    -14.34740429
  H     12.01292171      6.30580063    -15.85812884
  O     11.33268155      9.72842183    -10.95650425
  H     14.71926314      3.01965051    -15.02802307
  H     17.68838067     11.70188943    -12.29084135
  O     12.58967093      6.45623838    -11.51888119
  H     15.06243179      8.56367918     -8.47513497
  H     18.01859581     10.93176565    -11.01740871
  O     11.17212615      6.37033057    -15.37003452
  H     14.47985491      9.23736025     -7.20879843
  H     14.79485789      8.76231109    -15.38442767
  O     17.76769193     11.80765733    -11.33415365
  H     16.08436940      7.35340167     -9.98177594
  H     16.24664334      8.49644049    -15.87882391
  O     15.37981847      8.08951037    -15.75862401
  H     17.17296835      8.39946682     -9.70007877
  H     14.70428181     12.76116593    -13.17004531
  O     14.55504912     12.63468965    -14.12606652
  H     11.45091270      7.30780691     -8.30009045
  H     14.30751613     13.48521036    -14.47726274
          69
 Energy    -249.05477074215020     
  O     12.45183263     12.82579920    -13.49871086
  H     11.76338620     13.48070314    -13.42073862
  H     18.14827113      7.25356494    -17.20079357
  O     15.27734939      6.85026410    -14.16308946
  H     12.42385326     12.28976213    -12.68545743
  H     15.97228128     13.64500482    -17.17928347
  O     18.48404677      9.85081651    -13.53209009
  H     16.23184402      6.87029255    -14.00892778
  H     15.59459687     13.00500718    -15.82259136
  O     17.45171950     10.60978719    -16.05635027
  H     15.15143541      6.54817818    -15.07495624
  H     15.21915791      8.61339688    -14.56630450
  O     16.93490757      9.14052034     -8.99398610
  H     18.43628229     10.17345957    -14.44087854
  H     14.36421583      9.87631825    -14.90046542
  O     14.05797629      7.50223956    -11.80193842
  H     17.76557627     10.31744952    -13.07708137
  H     13.16966953     10.84271830    -10.96946156
  O     16.18364504     11.07911452    -12.62708147
  H     16.69409348     10.16234928    -15.64626987
  H     12.01858614     10.30167734    -11.83007973
  O     17.70936471      8.68438603    -18.04041309
  H     17.09696994     11.44976893    -16.37035019
  H     18.29956061      6.34616574    -12.40506022
  O     15.96869678      6.62779903    -10.03287507
  H     17.66366385      9.11376937     -9.63910933
  H     18.95821180      5.30529063    -11.47040092
  O     14.92299809      8.48862078    -18.57518850
  H     17.31628591      9.39720973     -8.15885443
  H     11.07357721      8.09450946    -12.82206280
  O     15.36348253      6.26817529    -16.81890545
  H     14.60480937      7.08917344    -11.11765244
  H     12.56789374      8.22156882    -12.46210360
  O     18.27462558      6.44080238    -16.67734967
  H     14.43572231      7.22150913    -12.64884628
  H     18.21722749      6.87908528    -14.89945694
  O     15.81999206     12.80756344    -16.74995159
  H     15.72341490     10.79468853    -11.82840253
  H     18.21897736      8.05922733    -13.86299150
  O     15.25982318      9.56458128    -14.72175647
  H     15.81850177     10.54461592    -13.35089602
  H     18.85715231      7.87497940    -11.01081480
  O     12.35635469     11.10749097    -11.41998219
  H     16.79319740      8.64102815    -18.34248422
  H     18.94474768      9.23560171    -11.73144868
  O     18.40120971      6.07965480    -11.47558803
  H     17.74056504      9.41842087    -17.41077459
  H     13.32315889     10.69450309    -16.75643156
  O     11.81839508      8.68940403    -12.86766892
  H     16.25532873      7.39783201     -9.52695695
  H     14.53216438     11.49489535    -17.29764533
  O     18.04957442      7.11330764    -13.97701240
  H     16.75447859      6.32761686    -10.50623959
  H     14.53050340      9.11637898    -10.98603884
  O     18.89673514      8.82815034    -10.85905416
  H     14.55697225      9.30302340    -18.18945120
  H     15.44225075      9.74434140     -9.89923165
  O     13.91338548     10.78628018    -17.51454809
  H     14.49969371      8.38057754    -19.42333494
  H     15.62660636     12.60640001    -13.54873678
  O     14.74626551      9.94631686    -10.53719225
  H     16.32473840      6.19182664    -16.85155156
  H     14.24769124     13.18823246    -13.91481290
  O     15.18139546     13.21116264    -14.15712851
  H     15.13624352      6.99832950    -17.40893372
  H     12.27235415      9.78682038    -14.37148363
  O     12.61955275     10.43372414    -14.99865460
  H     18.88760284      5.89470100    -17.16201260
  H     12.52898590     11.29812777    -14.57523981
          69
 Energy    -249.05443796719231     
  O     13.77457164      9.29851776    -16.11400936
  H     14.13163174      9.19496457    -17.00444197
  H     17.00072988      9.23080881    -16.07714129
  O     14.36419284      2.78596629    -15.92503859
  H     14.49542320      9.66433205    -15.59046999
  H     16.83045306      6.91965003    -16.14718191
  O     18.07301252      6.51772488    -12.25342734
  H     13.68694783      2.19948782    -16.25310279
  H     17.10884353      5.51096934    -15.51538409
  O     19.29416476      6.84567292    -17.02457253
  H     14.15090088      3.67632891    -16.25921901
  H     12.66688759      6.86464487    -14.29232220
  O     17.83128003      5.03676505    -18.73981204
  H     18.76098662      6.56105975    -12.92770610
  H     12.83375579      7.85435398    -15.47875102
  O     13.98788894      6.09932348     -9.86165017
  H     17.30322452      6.99126632    -12.60446036
  H     16.99722187      2.37567650     -9.24345247
  O     14.53943689      3.75969187    -13.25427605
  H     18.88576309      6.20729271    -17.62193447
  H     15.83766463      3.06804959    -10.00292268
  O     15.81032935      7.60526795    -13.38965339
  H     18.72776246      7.63086978    -17.04860941
  H     13.35903487      5.88561866    -16.24355487
  O     18.32838302      4.11974162    -14.98890381
  H     17.51310478      4.28240612    -18.21266183
  H     14.88772826      5.64341533    -16.32115688
  O     14.17077967      3.30495605    -10.48029904
  H     18.23030652      4.66733202    -19.52427138
  H     19.77868449      6.58127422    -15.36771115
  O     16.99081051      3.01919166    -17.12902540
  H     13.65707155      6.55381510     -9.09147241
  H     20.92084443      6.41827151    -14.34173021
  O     17.26121683      8.67805064    -16.82445855
  H     14.95949755      6.13455674     -9.81348390
  H     17.50971375      4.78902475    -12.37201489
  O     16.44402819      6.19915370    -15.63269499
  H     14.45093666      3.35393619    -14.12404060
  H     17.20268919      3.46733521    -11.62011699
  O     12.45324409      7.00070265    -15.22235208
  H     15.48535246      3.80073075    -13.05449389
  H     17.29473623      6.25969344    -10.49505663
  O     16.79946236      3.08692834     -9.84584099
  H     14.97321882      7.26434855    -13.04940346
  H     16.87556945      5.01489140     -9.68460159
  O     14.03742477      5.35230485    -16.68440765
  H     15.99716081      7.09644244    -14.19472649
  H     14.71951115      5.88157201    -18.32838630
  O     19.97482249      6.34608954    -14.44262388
  H     19.03842372      4.74943337    -14.81774693
  H     16.12587552      5.86967552    -18.97708939
  O     17.23612517      3.86804413    -12.49677425
  H     17.97601778      3.86006410    -14.12530705
  H     13.80371408      5.40981411    -12.91018708
  O     16.71996038      5.96343154     -9.77921855
  H     13.94775715      4.20058201    -10.19646104
  H     13.53558381      6.29499223    -11.66700841
  O     15.25604898      6.28349420    -19.02577717
  H     14.13731581      3.32046835    -11.44639567
  H     16.01849655      9.22434001    -14.05847934
  O     13.51845066      6.29316374    -12.63190707
  H     17.54692975      3.25288515    -16.37077123
  H     16.29626175     10.74593179    -14.00390327
  O     16.15336114     10.01872051    -14.60362753
  H     16.11778546      2.83191085    -16.76763375
  H     14.93925760      9.40788139    -19.43355987
  O     15.14512038      8.94072216    -18.62880195
  H     16.60065652      8.82323610    -17.51503507
  H     15.13708168      7.99030699    -18.84387655
          69
 Energy    -249.05442483423306     
  O     14.46719903      9.58595521    -10.30291217
  H     14.12925838     10.06883021    -11.07029976
  H     13.36880548      7.08821086     -9.12817733
  O     12.61884281     10.36499053    -16.07976341
  H     13.76692297      8.99582113     -9.99555648
  H     18.48668396      6.90217294    -15.01963038
  O     16.42820375     11.25226377    -13.42732926
  H     12.48062861     11.16587098    -15.55959979
  H     18.30091298      8.41188570    -15.28126027
  O     17.43764470      7.14759600     -8.40609065
  H     13.42611332     10.52300401    -16.58433530
  H     13.56776693     12.90615920    -14.68415794
  O     15.20842707     12.99656918    -15.29789608
  H     15.55063605     11.00796760    -13.10060122
  H     12.19246300     13.47907618    -14.26137828
  O     15.96185822      7.78620487    -11.87722424
  H     17.04928213     11.19897850    -12.69224547
  H     12.71449347      8.98188258    -14.90913374
  O     13.77148047     10.63318650    -12.72708319
  H     17.30969775      8.07795597     -8.66306035
  H     13.76607044      7.94049264    -14.43463149
  O     18.65876141      8.27230773    -12.21727753
  H     17.88986923      7.15945422     -7.56603789
  H     15.47479690     10.91303872    -18.20256531
  O     18.37984398     10.84672639    -11.39960872
  H     15.22771806     12.43110669    -16.08070320
  H     15.77947510     10.40127475    -16.77618192
  O     17.37061656      5.28873820    -14.96592400
  H     15.76061427     12.55175582    -14.64054577
  H     12.65447579      7.06656369    -12.84072148
  O     17.41529274      4.13618068    -12.45122356
  H     15.71709381      6.90828483    -11.55528557
  H     12.56202647      6.84293017    -11.31347385
  O     12.64852312      7.61936123     -9.51523089
  H     15.48339425      8.42634484    -11.33723584
  H     15.65197365      6.49909543     -8.48688197
  O     18.91126254      7.76119337    -14.90999332
  H     13.48053961      9.83016950    -13.18325407
  H     14.86915852      5.66544920     -9.51634059
  O     12.69123337     12.67004964    -14.33057230
  H     13.31931857     11.37368103    -13.14914133
  H     15.61749596      4.70906797    -11.82651544
  O     12.94993470      8.39298886    -14.17700946
  H     17.71204937      8.10102965    -12.08615813
  H     14.22083402      5.46430819    -11.73912141
  O     15.17189148     10.95143375    -17.29902581
  H     18.85662711      8.10937982    -13.15056794
  H     18.15890647      6.22173694     -9.90358488
  O     12.73079879      6.39493851    -12.15157924
  H     18.60190257      9.94312207    -11.68682099
  H     18.80059219      6.68952128    -11.21821741
  O     14.77200090      6.16126279     -8.68939964
  H     19.20128605     11.32888510    -11.34442806
  H     16.01051104      6.54988710    -14.76717082
  O     15.03033322      5.21822197    -11.26214600
  H     17.43943511      4.60229941    -15.62536936
  H     15.61982868      7.50282305    -13.60453039
  O     18.53544071      5.89789131    -10.73113627
  H     17.42436705      4.85235376    -14.10048474
  H     16.05807590      9.77689015     -9.43285843
  O     15.45844344      7.30687301    -14.54127029
  H     17.83378117      4.74522171    -11.81463885
  H     17.48848150     10.19656945     -9.81907610
  O     16.98247133      9.72309180     -9.14979589
  H     17.66801081      3.25497762    -12.18762668
  H     16.24720103      8.74233629    -15.28999727
  O     16.75048954      9.51976861    -15.57351171
  H     11.91728528      7.57809802     -8.90497304
  H     16.73849267     10.13904337    -14.82874412
          69
 Energy    -249.05418801822208     
  O     18.29208131      8.86887370    -10.24931423
  H     17.38983479      9.20627803    -10.32482204
  H     15.89989944     12.12077109     -7.98135304
  O     14.44647589      7.70902452     -9.57595385
  H     18.26259396      8.00536309     -9.82000547
  H     18.35112752     11.24420060     -8.36842597
  O     19.96449256      3.29674004    -11.71239292
  H     14.87366425      7.97745490     -8.74160516
  H     19.00147309     10.15738219     -9.23292303
  O     21.54428136      7.24443771    -12.48708039
  H     13.52673528      7.55328578     -9.37773320
  H     19.01891375      8.76750538    -11.85097716
  O     15.73192470      8.63822708     -7.38054765
  H     19.01488406      3.43747650    -11.87812368
  H     19.27342680      9.59920895    -13.12831941
  O     17.91866160      5.17951336    -14.83484058
  H     20.09073283      2.35801353    -11.60572607
  H     20.44313168      4.38037362    -13.23810452
  O     22.65863536      9.37564293    -10.94691147
  H     22.11493991      7.89877268    -12.06835177
  H     20.98413647      5.78633406    -13.56277988
  O     17.99685200      7.14161913     -6.64708782
  H     20.72886421      7.72930305    -12.69327408
  H     17.45185726      4.21315917    -13.24456430
  O     21.99553942      7.74505322     -8.91296724
  H     16.49341465      8.16137664     -7.02622865
  H     16.87500695      4.51175327    -11.84938513
  O     20.28640390      8.85405349     -7.04843344
  H     15.99795211      9.56106583     -7.46593814
  H     15.16307419      9.29615814    -10.31166378
  O     18.23635980      6.28044536     -9.21585085
  H     17.87525787      4.85736530    -15.73110666
  H     15.82084848     10.18168126    -11.43193199
  O     16.42043919     11.33954573     -8.15178847
  H     18.85996487      5.18143820    -14.58343986
  H     16.39632162      9.30689343    -13.40111108
  O     19.20809450     10.91881356     -8.66585232
  H     23.56383657      9.65608441    -10.83798206
  H     17.12556330     10.66572900    -13.22307506
  O     19.28038344      8.69808173    -12.78365070
  H     22.44377471      8.83051829    -10.16705012
  H     20.21047940     11.41090447    -10.20358299
  O     20.48425547      5.04823313    -13.93387497
  H     18.09233176      6.74772438     -7.53211251
  H     21.30063568     10.73514685    -11.06642584
  O     17.38409063      3.86033865    -12.34806111
  H     18.09037645      6.43120932     -6.01702902
  H     17.14828220      6.70085049    -14.04918418
  O     15.73965341     10.05209785    -10.47487696
  H     21.44121158      8.09798250     -8.20133349
  H     17.80571657      7.84113534    -13.25107087
  O     16.27196936     10.22513765    -13.12795043
  H     21.59208536      6.92144030     -9.20638420
  H     19.22694646     12.08727899    -13.85100604
  O     20.59859698     11.39746341    -11.08767811
  H     19.96789472      9.66483966     -7.46614514
  H     19.51910701     11.48386129    -12.45848904
  O     16.94800582      7.44021950    -13.46220850
  H     19.50320062      8.34526047     -6.81162612
  H     16.41105649      6.63019098    -11.90094924
  O     18.94804813     11.40609630    -13.24502973
  H     19.08733875      6.02105490     -9.59821472
  H     15.52434641      6.58788870    -10.61991394
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  H     17.54121376      6.10086345     -9.86353107
  H     20.97019154      6.19331276    -11.08250500
  O     20.65328489      5.64450353    -10.35099532
  H     16.14113487     11.00273898     -9.02112654
  H     20.50541559      4.76352483    -10.71740449
          69
 Energy    -249.05412914282027     
  O     -1.25487546      3.56840951     -2.29768070
  H     -1.28617805      3.94530203     -3.17257976
  H      0.66061595     -1.27090964      2.56731853
  O      1.00590656      4.31636273     -1.04765181
  H     -0.44964647      3.91245265     -1.86981020
  H      2.57603086     -0.97387199     -0.82470851
  O      0.77404718      1.36538507      0.89730688
  H      1.75729758      3.75771356     -1.28294475
  H      3.49974762     -0.36852617      0.23357476
  O     -3.29039524      3.42397299     -0.32189918
  H      0.95893373      4.34116333     -0.08310069
  H      3.16248404     -1.00652100      3.60551660
  O     -2.11167484      3.51462376      2.13277804
  H      0.66612824      2.28998824      1.15615341
  H      3.80503190      0.37361858      3.91578493
  O     -0.84709282      0.95661576     -1.33597986
  H      0.27060817      1.22470991      0.08471649
  H     -3.32567130      5.26038891      4.56154853
  O     -3.29419852      0.56406320      0.05002467
  H     -2.66129261      3.57061739     -1.04004892
  H     -2.51069756      4.28549599      3.68208420
  O      3.11791834      2.52602717     -1.74462771
  H     -3.44228945      2.47081289     -0.29443914
  H      1.39941078      2.21589116      4.37990051
  O      3.53021644      1.46071254      0.74197730
  H     -2.56366661      3.63037465      1.28401380
  H      1.12635601      3.67312785      4.78115610
  O     -0.16401752      4.20875054      5.90916004
  H     -2.14190515      2.56994681      2.33509922
  H      1.85724392      0.16913556      4.95605651
  O     -2.43501911      0.75077064      2.65039167
  H     -1.68231001      0.70551723     -0.92296103
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  O      0.00146836     -0.57008006      2.64003764
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  H     -2.97040035      2.69670407      5.07087537
  O      3.10101554     -1.20272297     -0.04502095
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  H     -2.21219945      1.59960897      5.82898878
  O      3.42912000     -0.41577739      4.32185632
  H     -3.06178729      0.58641539      0.99378811
  H     -0.52695145      1.14347504      7.77155342
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  H      3.91922753      2.71525103     -2.22721819
  H     -0.05406202      1.13455443      6.29928596
  O      1.65015253      3.12740965      4.17602069
  H      3.39050167      2.19081239     -0.87364854
  H      0.76382439      0.18593760     -1.99902419
  O      0.95784674      0.52589407      4.99284106
  H      2.56786176      1.34779118      0.81226799
  H      2.14227960      0.83975880     -2.17528828
  O     -2.89388756      1.73884892      5.16006465
  H      3.83958783      1.77258472      1.59954721
  H     -0.37462791      3.95274767      1.88399996
  O     -0.66338255      1.56219658      6.92572313
  H     -1.00496732      4.44755181      5.49979243
  H      1.00913887      3.80186279      2.57492292
  O      1.69495063     -0.01432724     -2.15754967
  H     -0.33900888      3.39520868      6.39947657
  H      2.56721735     -1.89495622      1.44372176
  O      0.58088663      3.99120778      1.72976690
  H     -2.68307509      0.98462164      3.55763195
  H      2.46220163     -3.11987655      2.38102135
  O      2.28559343     -2.18417754      2.33047951
  H     -1.65052158      0.18744636      2.69304935
  H      3.31152732      2.66567356      3.67475133
  O      4.13352149      2.25333917      3.36087891
  H      0.28350449      0.11833679      2.01552848
  H      4.85118549      2.73221114      3.76862088
          69
 Energy    -249.05398088838629     
  O      1.61425941      0.25967585      3.39804222
  H      2.51893545      0.30486157      3.69784329
  H     -3.37250444      4.20532900     -0.77416352
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  H      1.64713990      0.00440866      2.45878495
  H     -0.99620372      3.74376735      0.20953156
  O     -0.23429151     -1.22113037      4.98444184
  H     -1.82936611     -0.63502831     -3.17514835
  H     -0.06049609      3.18522649      1.29838614
  O     -4.43835194     -0.74692549     -1.39179305
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  H     -1.79425370      0.80316562     -1.15955615
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  H     -3.29955181      0.53382236     -0.90835368
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  H     -1.04843157     -0.70159345      4.93268179
  H     -2.18031514      0.52616747      1.03926538
  O     -4.10132754      2.68877966      2.28055745
  H     -4.18736410     -1.52406549     -0.86855812
  H     -1.15028128      0.93233315      2.11542857
  O     -3.85476922     -2.43806367      4.35168339
  H     -4.00966611     -0.85539869     -2.24961762
  H     -4.36195629     -2.86161193      0.81417318
  O     -0.20695902      2.33905135      2.89433676
  H     -2.59150333     -3.46310942     -1.39355382
  H     -2.83130670     -2.80364295      0.66320540
  O     -0.47872645     -0.00552295     -2.12260824
  H     -2.21992808     -2.78364128     -2.72002683
  H      1.67187731      0.42155144      0.12859921
  O     -2.67639993      0.08657767      4.45871517
  H     -0.27619872     -2.38718549      0.19065490
  H      1.33606148     -1.07483169      0.26533292
  O     -2.88518042      3.75109925     -0.09138031
  H     -0.39658517     -2.82058767     -1.27075503
  H     -3.12435029      2.84001912      3.68569200
  O     -0.07957534      3.50181589      0.38376310
  H     -4.53786256      1.88886751      1.95496993
  H     -2.81056960      3.60238656      4.99741643
  O     -2.57219715      1.13288972     -0.69256525
  H     -3.75337179      3.14837843      1.50798677
  H      0.86249146      2.46597709     -0.61788888
  O     -1.74502227      0.22224320      1.84420962
  H     -3.56106080     -1.53288909      4.52687095
  H      2.11298293      2.31118184     -1.51617729
  O     -3.65181931     -2.91789559      0.16207468
  H     -3.05300108     -2.97348375      4.34920851
  H     -0.81205861     -4.34987383      4.59064594
  O      1.71147839     -0.32376608      0.73985438
  H     -0.87621653      2.54442755      3.55987095
  H     -0.79889368     -2.80028347      4.55375256
  O     -2.51790173      2.87944998      4.45023008
  H      0.44268191      1.72611259      3.26161458
  H     -1.25883281     -2.91532472      2.47170071
  O      1.38021296      1.82890692     -1.14286413
  H      0.20194996      0.65430758     -1.93974117
  H     -1.42209065     -1.52002369      1.77555483
  O     -1.23372645     -3.59423942      4.19171878
  H     -0.24480464     -0.79799756     -1.61524878
  H     -6.35142285     -2.71585758      2.45465978
  O     -1.32013981     -2.47132744      1.61878859
  H     -2.72187512      1.01888729      4.69749712
  H     -4.93685236     -2.42120340      3.00412474
  O     -5.50150319     -2.35711557      2.21339642
  H     -2.50180936      0.07836991      3.50506616
  H     -5.20277563      0.10484223      0.27537504
  O     -5.24379470      0.33464025      1.20983360
  H     -2.80753092      2.82106872     -0.37235935
  H     -5.36165636     -0.50976352      1.66176212
          69
 Energy    -249.05387431559723     
  O     10.56192074     10.94624905    -12.43033811
  H     10.47802225     10.36787140    -11.66112840
  H     18.04652114      6.22554264    -14.93794806
  O     13.98037770      7.14171819    -15.12169708
  H     11.51237840     11.07261985    -12.55287101
  H     17.43502202     11.07597750    -15.94615277
  O     17.65324843     10.27643227    -10.87876709
  H     14.40607532      6.60618446    -15.80073178
  H     15.91437789     11.24730778    -16.10375007
  O     18.66541612      9.88476956    -16.79367481
  H     14.70136539      7.59203215    -14.65025653
  H     16.02656498      9.23044533    -13.50326853
  O     12.60705287      9.48641260    -15.42965450
  H     17.99061385     11.03228962    -10.40515487
  H     16.91088439      8.21616975    -14.27827964
  O     12.75897835      6.21680090    -12.82119820
  H     17.11411697     10.62187520    -11.61153531
  H     11.64132435      8.76152524    -10.59522467
  O     16.06641580     11.01366928    -12.95941580
  H     17.93917371      9.35835900    -17.17747755
  H     10.54146726      8.81436817     -9.50999161
  O     16.50141547      8.51225094    -17.68177394
  H     19.26887311     10.08383152    -17.50425609
  H     10.05431643      7.89774184    -13.44848851
  O     14.70276135      4.61204379    -11.72607872
  H     12.98262179      8.59496744    -15.36356043
  H     10.21538212      7.75176239    -11.92629637
  O     18.66137501      7.92044863    -14.80155654
  H     11.65881593      9.42801046    -15.26044629
  H     18.48405003      7.37442820    -11.93563548
  O     15.71972739      5.84857945    -16.87323032
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  H     18.69801892      8.87254753    -11.65081956
  O     17.48356987      5.44037323    -14.84955617
  H     13.13231576      6.45243407    -13.68182579
  H     16.12234393      5.65341883    -11.88629496
  O     16.66736614     11.51905304    -15.56474906
  H     15.10210513     11.05219447    -12.90005886
  H     16.46232103      6.99123620    -12.62504082
  O     16.05508342      8.32822508    -13.84111780
  H     16.32367999     11.30109465    -13.84904024
  H     16.19872270      7.47881799    -10.60884348
  O     10.69162810      8.91283871    -10.44644316
  H     16.22935731      7.61703634    -17.45089533
  H     16.42644948      8.96067550    -10.27071641
  O     10.22088157      7.25151949    -12.75213081
  H     15.74142674      9.08862493    -17.53232562
  H     14.08439320     11.00841991    -17.83182491
  O     19.08290195      8.11299679    -12.10546991
  H     14.35191978      3.85339936    -11.26730416
  H     13.78048039     10.18514609    -16.56235034
  O     16.82182653      6.30696718    -12.03960402
  H     13.93816348      5.09033225    -12.08539916
  H     14.14451486      8.38669821    -10.75129558
  O     15.80105354      8.23397679    -10.15956673
  H     18.85789917      8.65585196    -15.39135258
  H     13.16965758      7.64693074    -11.72924186
  O     14.49523935     10.48735520    -17.14561846
  H     18.99428538      8.10767508    -13.91031527
  H     13.33552862      9.86397931    -12.32669574
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  H     13.13304618     10.26781316    -13.81626021
  O     13.33473391     10.61663862    -12.93769365
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  H     10.07369930     10.04486273    -13.84807593
  O      9.92897665      9.44581514    -14.60310919
  H     17.28146344      5.38962301    -13.91145566
  H      9.10328478      9.70214349    -15.00523947
          69
 Energy    -249.05347551561061     
  O     -3.34348580     -0.26686459      4.32093498
  H     -3.09723303     -0.18383332      5.25361746
  H      0.29390796     -3.47657025      7.26235455
  O     -2.29791759      2.83941852      7.27957603
  H     -3.07562040     -1.14755224      4.02172824
  H      0.83326353     -0.44427995      6.02072088
  O      1.59216284     -0.21940664      0.67829892
  H     -2.61003495      3.40244981      7.98257942
  H      0.51807083     -1.16631078      7.36264570
  O     -1.10134404      0.49269718      0.80362738
  H     -2.74596881      3.13123379      6.46475643
  H     -0.96439950     -4.59388312      5.78154762
  O     -2.34316335     -2.72322778      3.55075064
  H      2.04471702      0.33637056      1.32013984
  H      0.25036850     -4.03083099      5.01628881
  O     -1.88836229     -2.15762245      0.77567505
  H      0.69436786      0.13554644      0.59735038
  H     -0.44636958      2.71503378      6.73365570
  O     -4.51748135      1.83237711      2.96994950
  H     -1.48788920     -0.38683357      0.68354967
  H      0.56502735      1.55997347      6.71741014
  O     -3.37530746      3.57825972      4.93607203
  H     -1.03373451      0.62805740      1.75991068
  H     -1.57906366     -2.70251025      8.01326529
  O     -1.08762404      3.74966120      3.42106098
  H     -1.37641109     -2.77311907      3.54921997
  H     -2.60148879     -1.65622939      7.53733222
  O      0.44927665     -2.97021319      3.52314490
  H     -2.64228269     -3.35157522      4.22005942
  H     -1.03982298      1.87670628      3.64301909
  O     -2.89201626     -4.38124112      5.74614298
  H     -2.20549314     -2.42642308      1.64680618
  H     -1.79250764      0.52919718      3.85130422
  O      0.34723189     -2.88731760      8.03674720
  H     -0.99673564     -2.51895596      0.69573601
  H      1.38646635     -3.33960009      0.09387229
  O      0.45673118     -0.31926363      6.90421093
  H     -4.18161349      1.03673261      3.41513077
  H      1.23513881     -1.93306646      0.71984061
  O     -0.01402968     -4.44266822      5.85070721
  H     -5.41023164      1.63349908      2.69769746
  H      1.23844768      3.07514848      5.01643263
  O      0.44677825      2.48171756      6.45449549
  H     -3.91593203      3.06229922      4.32794952
  H      2.09398054      4.23329574      4.45989702
  O     -2.50232477     -2.59264096      7.75393942
  H     -2.57284810      3.79976172      4.43957652
  H      2.45508731      2.08346495      3.24499936
  O     -0.95451957      0.91874756      3.57088578
  H     -1.42242132      3.59108074      2.52281579
  H      3.80492302      1.52885724      2.74233323
  O      0.93011952     -2.85643185      0.77723039
  H     -0.12728709      3.78304900      3.41753371
  H     -2.01782168      2.12424804      0.83898267
  O      1.66435827      3.41873182      4.20921353
  H      0.80914540     -2.11723711      3.80488758
  H     -3.20943902      2.58923303      1.69429327
  O      2.87372151      1.32779237      2.80271723
  H      0.66785662     -3.06523323      2.58763619
  H     -2.42290671      0.99808520      7.10681698
  O     -2.44219173      2.91230750      1.20576017
  H     -3.55034807     -5.02718408      5.98680979
  H     -1.35950148     -0.08635469      6.83613017
  O     -2.31492461      0.06916507      6.86816347
  H     -2.83765615     -3.74579716      6.48263184
  H      1.99020340      0.01239185      3.83818645
  O      1.27202933     -0.45004338      4.28207316
  H      0.84968512     -3.35034432      8.70146014
  H      0.46135692      0.02639181      4.03443686
          69
 Energy    -249.05341323801514     
  O     -2.16024686      3.68494215      3.99476205
  H     -2.38532034      3.37071776      4.87630167
  H     -2.03292098     -3.66668812      1.75798709
  O     -2.29449505      2.96742055      1.40592556
  H     -1.19662991      3.62015956      3.93267082
  H     -1.22749167     -0.20018085      2.08811831
  O     -2.30039406      2.56327325      6.63462966
  H     -2.44061139      3.31641676      2.29936928
  H     -0.05489150     -1.24292708      2.02171925
  O      2.21820549     -2.14709604      0.39838181
  H     -1.42383663      3.29541267      1.14464808
  H     -3.58770588     -0.48183495      1.21509376
  O      1.63437014      2.08708213     -0.42324359
  H     -2.62119701      2.91111214      7.46183222
  H     -3.62385428     -0.02730093     -0.24234459
  O     -0.49862029      0.33779873     -0.90751959
  H     -1.33292423      2.68275681      6.63385441
  H     -2.22216220      0.88509844      5.80407106
  O     -2.80896899      0.41732457      2.65642901
  H      1.79432692     -2.50192336      1.19153095
  H     -0.97376008      0.13125758      5.29825013
  O      0.26407871      4.05200282      0.83653182
  H      1.57518764     -2.26033147     -0.31161175
  H      0.92639170     -2.79325667      3.56923509
  O      3.42155483      0.24993825      0.86428787
  H      2.31021763      1.52302548     -0.02994179
  H     -0.14504279     -3.35938003      2.60973871
  O     -1.73128892     -2.69699945      5.21814985
  H      0.94110890      1.49091804     -0.73803692
  H      0.11186917     -2.45124937     -2.45625632
  O     -2.13745499     -3.03988983      0.18080472
  H     -0.44452035      0.09213026      0.03121458
  H     -0.12576594     -1.31390253     -1.43585166
  O     -1.87621037     -4.00003831      2.66067042
  H     -1.34127979      0.78944942     -1.03373682
  H      0.67413128      1.81082175      6.21894331
  O     -0.33816291     -0.36197797      1.74656795
  H     -2.65812031      1.32250024      2.35614066
  H      0.59605346      3.16950161      5.50432099
  O     -3.74766922     -0.80196814      0.31619799
  H     -2.60060201      0.37795564      3.59983340
  H      0.93620158      0.57380415      2.53233686
  O     -1.94120865      0.13351714      5.26782281
  H      0.80359770      3.37321284      0.39378298
  H      2.45165380      0.79027072      2.39297041
  O      0.67006656     -2.83996462      2.64044425
  H      0.40532729      4.86665129      0.36120873
  H     -0.01605894     -2.77538875      5.46527099
  O      0.08739685     -2.25885270     -1.52204229
  H      4.35975964      0.15235684      0.72602974
  H      1.27464772     -3.36239391      6.09314500
  O      0.40048468      2.73032015      6.34188099
  H      3.02036353     -0.61720428      0.67499730
  H      1.27271231      0.34988701      4.62039131
  O      1.70682495      0.95650533      2.98080663
  H     -2.00583066     -1.77100412      5.23845909
  H      1.02756778     -0.85752149      5.56568280
  O      0.95806840     -2.72057890      5.46363127
  H     -1.95043665     -3.04854098      4.34631906
  H      1.07420116      2.61075276      3.42880634
  O      0.87406023      0.08905276      5.46353733
  H     -1.40585400     -2.85145930     -0.41474660
  H      0.58307209      3.86396360      2.70948506
  O      0.65639912      3.46961366      3.58687983
  H     -2.73708383     -2.27883514      0.14789635
  H     -3.49818144      2.25143010     -1.49271013
  O     -2.97537608      1.69152578     -0.92462568
  H     -2.20278829     -4.89585967      2.67655511
  H     -2.83253149      2.18712522     -0.10001072
          69
 Energy    -249.05319604198343     
  O     12.51411030      9.82032294    -11.19151566
  H     13.27541778      9.65592019    -11.76208978
  H     14.57530556      8.72480327    -13.29192315
  O     13.38700132      7.98922147    -14.52423692
  H     12.01290642     10.56859350    -11.53683409
  H     14.64627745     15.46310588     -7.79512262
  O     11.09082046     12.11081995    -12.01348119
  H     13.54929213      7.64688751    -15.39936318
  H     14.69035739     14.67774401     -9.12650898
  O     14.17503327     10.64088979     -9.15498084
  H     12.96002863      8.85688128    -14.63972287
  H     11.28854582     12.95762239     -8.94550080
  O     15.12367081      6.82253137    -10.86016980
  H     10.93286381     12.55144720    -11.16927989
  H      9.84131735     12.57901297     -9.36078922
  O     13.57564134     15.38677561    -12.53570637
  H     11.90763630     12.45170647    -12.40299808
  H     11.48015001      7.18411715     -6.98931122
  O      8.92515614      9.32327184    -11.12245314
  H     13.49656633     10.38127630     -9.79657697
  H     11.49722820      8.60112546     -7.60544465
  O     13.47757328     12.68321585    -13.22817366
  H     14.46123774      9.81424871     -8.74178042
  H     11.53750870     11.02815246     -7.40401056
  O     15.50164225     14.35389058    -10.65068168
  H     14.30624611      6.54532572    -11.31174806
  H     10.18706668     10.51344765     -7.94668623
  O     11.06283043      7.62314745    -10.48807429
  H     15.72920596      6.08725881    -10.90997557
  H     14.75512039      7.58792394     -9.15470090
  O     12.07383930     15.46218255    -10.27479237
  H     13.55727493     16.23377295    -12.97275166
  H     13.63948090      7.84410293     -8.11518462
  O     14.96759691      9.11428268    -12.50014882
  H     12.97435668     15.45081196    -11.77163949
  H     15.07375856     11.39449229    -10.56285894
  O     14.12782481     14.89900430     -8.36275137
  H      9.08810002      9.59592198    -12.03175425
  H     15.47940741     10.80809304    -11.91975698
  O     10.56459979     13.19117540     -9.54628419
  H      9.55646438      8.61665474    -10.92840205
  H     12.71090270     11.24408652    -14.32827665
  O     11.76761205      7.67697794     -7.75357211
  H     13.53047293     13.64546478    -13.15431912
  H     11.36484380     10.47375495    -14.42214276
  O     10.96487078     10.25290686     -7.43861344
  H     14.15508712     12.32569721    -12.63720379
  H     10.03027847     11.22057045    -13.04635490
  O     14.55259077      8.06418422     -8.33977533
  H     14.98940021     14.77390727    -11.35209732
  H      8.91316188     11.05923665    -14.10645363
  O     15.39815750     11.64399315    -11.44110523
  H     15.63916949     13.44084786    -10.93464093
  H      7.86580248     11.07623472     -8.74573726
  O     12.29267128     10.45224564    -14.68705512
  H     11.57950933      8.40812402    -10.73595669
  H      8.80046292     10.46675411     -9.81519923
  O      9.60085996     10.58312204    -13.64640504
  H     11.23071299      7.48959764     -9.54727443
  H     12.87079076      6.82802862    -13.03596040
  O      8.76230900     11.09287731     -9.07070072
  H     12.71734730     15.40416487     -9.55675823
  H     12.10889336      6.64574828    -11.69238796
  O     12.84028449      6.30522211    -12.22587929
  H     11.39565294     14.80767621    -10.06538858
  H     13.26574724     11.86250473     -8.27605533
  O     12.67493528     12.52002680     -7.87566069
  H     15.15340223      8.38077454    -11.89817615
  H     13.16460220     13.35104930     -7.87909589
          69
 Energy    -249.05314026384468     
  O     -2.43869732      1.84186645      1.26091847
  H     -2.54630815      2.73279577      0.93760780
  H     -0.71385982     -5.22783667     -0.11328918
  O     -4.02423218     -2.23989533      6.86216240
  H     -1.49619843      1.73763822      1.48024929
  H     -0.98500200     -1.29926836      2.77978540
  O      0.93489726      0.53970263      4.44035831
  H     -3.99819405     -2.24331822      7.81602100
  H     -0.21272324     -1.35611228      1.42341587
  O     -3.95457035      0.32984434      3.07710537
  H     -3.11712620     -2.41129279      6.55956318
  H     -2.36558630     -4.39235456      0.97764021
  O      1.09227769     -2.28590906      5.24641924
  H     -0.00945734      0.30037304      4.45842422
  H     -2.00635589     -2.98878725      1.55865868
  O     -4.97778594     -4.32509075      5.09388795
  H      1.06836379      1.17297387      5.14253705
  H      0.48825283     -3.12742198      2.57990162
  O     -1.58472808     -2.76648558      5.71417282
  H     -3.52616322      0.97089081      2.49598286
  H      0.79573591     -4.61247314      2.92378705
  O     -0.28514025     -6.10135958      3.13926834
  H     -4.23271753     -0.41143157      2.51767279
  H     -4.09530720     -2.53087934      1.45346162
  O     -6.63743703     -2.63761501      3.44392192
  H      1.30242764     -2.82537008      4.47280253
  H     -5.48150594     -2.14248004      2.02893117
  O      0.19849858      1.46379830      1.80483554
  H      1.23255000     -1.37047449      4.97954530
  H      2.17371423     -3.26395029      1.39103549
  O      0.31732520     -4.01117920     -0.96954922
  H     -5.58125930     -3.88186685      4.48494378
  H      3.45110942     -3.15570727      0.52593273
  O     -1.34626284     -5.73523439      0.41939755
  H     -4.78424879     -3.68007733      5.78487087
  H     -1.70659952     -1.19840825      4.81087774
  O     -0.69380874     -1.88504143      2.07064942
  H     -1.83445550     -3.48015216      5.11012527
  H     -2.46995361     -0.13216194      3.94417503
  O     -2.72623093     -3.62740699      1.44911755
  H     -0.62142103     -2.67140928      5.68372061
  H      0.36122902     -0.86334175     -0.60686444
  O      1.20157001     -3.74347498      2.81286862
  H     -1.09690547     -5.71273620      3.50774799
  H      1.59915940     -1.31815093      0.22308893
  O     -4.74825504     -1.81401343      1.49551479
  H     -0.17781011     -6.95309547      3.55521036
  H     -1.73676023     -1.19584626     -1.24316688
  O      2.52880534     -2.91500628      0.55597597
  H     -7.59073483     -2.66150508      3.42865934
  H     -1.11252006     -1.39633414     -2.64130695
  O     -1.60421295     -0.39688192      4.28027116
  H     -6.38319554     -1.91836267      4.05028554
  H     -5.08036805     -1.11132230      5.73539749
  O      0.93493891     -0.62262237      0.13400904
  H      0.57414631      1.22505692      2.65943122
  H     -5.08597180     -0.18064651      4.49303299
  O     -0.94979766     -1.52753102     -1.71061500
  H      0.57814988      0.84905595      1.16107147
  H     -3.39199125     -4.75190438      4.38481304
  O     -5.65455315     -0.70014484      5.07723945
  H      1.12309927     -3.69486863     -0.54701183
  H     -2.64257648     -4.34305034      3.09105936
  O     -2.51761509     -4.73029172      3.96987150
  H     -0.16423241     -3.22366043     -1.25083310
  H     -2.84766060      0.34979334      0.13361599
  O     -3.04073387     -0.45779695     -0.35740866
  H     -0.88334820     -6.00267644      1.21994124
  H     -3.73012509     -0.91708096      0.13716360
          69
 Energy    -249.05312542625464     
  O     16.42565262     12.40101789    -15.19944246
  H     17.28247852     12.22436474    -15.60736562
  H     14.88513753      5.48822879    -14.46561468
  O     15.56993328      6.47220097    -13.08901936
  H     16.47068477     12.02860360    -14.30875440
  H     18.28508483      4.45987926    -12.78896165
  O     19.72111914      7.62423162    -12.81553074
  H     15.23992221      7.33077162    -12.79270752
  H     19.29832676      4.45936324    -13.94357900
  O     16.58836523      7.39129796    -17.72509564
  H     16.31289671      6.22356835    -12.52335385
  H     16.09073276     10.52905482    -17.82153892
  O     13.83268350      6.85946892    -17.12179547
  H     20.04556934      6.99649259    -13.47393855
  H     16.85641651      9.21488568    -18.10996740
  O     17.68183496     10.97292518    -10.16879191
  H     19.45039177      8.40814499    -13.31551773
  H     16.45796347      7.38560852    -14.43856942
  O     14.69749257      9.11765655    -12.61434065
  H     15.65504955      7.15298134    -17.76916730
  H     15.83120724      8.56970655    -15.19013587
  O     18.72948786      9.67281994    -14.36283099
  H     16.74178998      7.59098226    -16.78658081
  H     16.69990603      7.67041337     -9.40565363
  O     16.96577062      3.41515836    -15.65511908
  H     13.08196907      6.51027751    -17.59384114
  H     17.19468356      6.71795339     -8.28960980
  O     15.64267386      8.96081192     -9.92574483
  H     14.10497925      6.17388646    -16.48273076
  H     21.20769275      5.57837455    -15.23272583
  O     18.51466347      5.49324937    -16.85269269
  H     18.34924461     10.26397787    -10.20364900
  H     19.72004176      5.76007399    -15.60381022
  O     14.68847378      5.06649130    -15.31402949
  H     18.00498594     11.62790948     -9.55638803
  H     17.70605006      6.14751758    -10.74442073
  O     18.58718424      3.94142698    -13.54616589
  H     15.41606008      9.76340582    -12.69181205
  H     18.48868004      6.51622048    -12.03674813
  O     16.94962966     10.17566220    -18.08263236
  H     14.24594641      9.13250809    -13.46752293
  H     19.63554266      8.43557520    -11.08704380
  O     16.65931000      8.08215167    -15.07582484
  H     18.91623303     10.27970880    -15.08872737
  H     18.82626231      8.16490803     -9.79861604
  O     17.39691055      7.03319069     -9.16597995
  H     18.02781726      9.07587151    -14.67329957
  H     15.20733707     11.81077428    -16.27620936
  O     20.35166500      5.77925401    -14.86270517
  H     16.98692398      2.48274429    -15.85401378
  H     14.06174555     12.05932539    -17.28773069
  O     17.85723369      5.88543347    -11.66063189
  H     17.49882209      3.53981416    -14.84933109
  H     17.10911268     11.10032383    -11.91103803
  O     19.35146199      8.83450025    -10.25511131
  H     15.14964581      8.98098567    -10.75509566
  H     17.53374864     10.51892211    -13.28599570
  O     14.60574869     11.37485131    -16.90779288
  H     16.21746195      9.73683995     -9.93695425
  H     18.18735510     10.96523741    -17.14870028
  O     16.80828347     10.95590474    -12.81664143
  H     17.95504093      4.76150035    -16.56222521
  H     19.43136187     11.88308314    -17.07478400
  O     18.78357710     11.43560457    -16.53766154
  H     17.93365263      6.09934352    -17.32678576
  H     13.87173484      8.36141414    -15.99048967
  O     14.07612809      9.09326428    -15.39295498
  H     15.41101391      4.44769517    -15.47394379
  H     14.14812873      9.89350321    -15.93033593
          69
 Energy    -249.05308986859433     
  O     16.44465195     10.73379224    -16.84500236
  H     16.01676780     11.26997666    -16.16631228
  H     18.13840512      5.56740436    -16.16665582
  O     15.35519548      5.80471680    -14.30652184
  H     17.33023299     11.10631728    -16.97920188
  H     17.18622617      5.52271898    -11.40599525
  O     17.73657563     14.13366887    -12.02745895
  H     16.00179496      5.71436329    -15.02236246
  H     17.99110202      6.20714972    -12.53154436
  O     19.88784230      8.95544805    -14.05234134
  H     15.86888990      5.94723012    -13.50397445
  H     21.94150411      9.84373462    -16.39249021
  O     17.30326375      7.20412425    -18.79345718
  H     18.04490004     13.67564750    -12.82140493
  H     20.72110126      9.40261604    -15.55015161
  O     15.92512682     11.41164341    -10.28496204
  H     16.77583074     14.04013763    -12.03631928
  H     17.37527382      7.72562816    -15.65882265
  O     15.17898300      9.27483714    -13.88041278
  H     19.72380505      9.48566991    -13.26152738
  H     17.18514099      9.26502256    -15.92901119
  O     18.28938845     12.26896508    -14.08058417
  H     19.02586388      8.84326467    -14.48765859
  H     16.77074892      7.99627037    -11.57077611
  O     19.50320301      6.25185854    -13.40626525
  H     16.50788454      7.68883842    -18.50722913
  H     15.95076824      9.09114887    -12.27408554
  O     13.65827958      7.55939593    -15.46832482
  H     17.16394757      6.97311361    -19.70810004
  H     14.60787510      8.18077695    -17.06305424
  O     19.95492027      5.21767481    -16.01969954
  H     16.05286462     10.49877589    -10.57255086
  H     15.48340736      9.36380702    -17.55411533
  O     17.25703798      5.93737735    -16.30343664
  H     16.80047967     11.73594672    -10.03833202
  H     19.09078450     12.90933262     -9.37263176
  O     17.14181943      6.22038984    -12.05567211
  H     14.48768173      8.78240636    -14.33797993
  H     18.33866326     13.15219276    -10.70432619
  O     21.01384344      9.62772402    -16.45007654
  H     16.01275178      8.99295780    -14.28941679
  H     18.08711237      9.90136295    -11.81498564
  O     17.46693872      8.60751843    -15.27815743
  H     18.52345222     11.61532208    -13.40916507
  H     18.92223816     11.08580331    -11.26401631
  O     16.55019539      8.93476636    -11.52925996
  H     17.34035689     12.16540189    -14.24253769
  H     15.24589981     12.60063613    -11.39066781
  O     15.14950431      8.48772335    -17.79831584
  H     19.71919628      5.79816290    -14.22919632
  H     14.21291726     13.71892856    -11.66543696
  O     18.58307343     12.47241652    -10.05040021
  H     19.77706822      7.16896585    -13.54061526
  H     20.32591579      8.15347938    -17.40970989
  O     18.87250817     10.44245983    -11.98092901
  H     14.20196614      6.87151605    -15.04147460
  H     19.15450682      7.44287330    -18.15058044
  O     14.98665691     13.29303948    -12.02477679
  H     12.76576401      7.22571024    -15.49856162
  H     15.30844370     11.03305673    -14.19801505
  O     20.01677751      7.30190429    -17.74284842
  H     20.47988069      4.49258637    -16.34715422
  H     15.24137465     12.49661973    -13.70318570
  O     15.52371056     11.94566533    -14.44345893
  H     20.07405932      5.95691309    -16.64394852
  H     18.89915925     11.95606798    -15.82863179
  O     19.00031498     11.65542449    -16.74332802
  H     17.21268870      6.22053802    -17.22595647
  H     19.72643926     11.02217549    -16.73937500
          69
 Energy    -249.05305335631220     
  O     -1.15159339     -0.09575149      2.41814014
  H     -1.60699240      0.75065234      2.51447211
  H     -4.69451550     -0.65568843      5.29759689
  O      0.09030464      3.45802596      1.76585432
  H     -1.52353248     -0.70306708      3.07150917
  H     -4.14394067      1.62299097      6.49364882
  O      0.45237123     -2.57892213      7.23635952
  H      0.44437403      3.90308985      2.54450817
  H     -4.39536724      2.32399856      5.15124371
  O      3.92224747      0.66319632      6.05775355
  H      0.80704300      2.93988844      1.38006392
  H     -2.29763325      3.01137529      5.82139124
  O      0.24251135     -3.31693200      4.42084956
  H      0.55516850     -2.87116819      6.32359338
  H     -0.85181910      2.48144299      6.04567790
  O     -2.07602166     -1.79632461      4.43108019
  H      1.13572838     -1.91561666      7.39889349
  H     -3.44058613     -0.48081515      7.20678626
  O      1.15852454     -0.75947456      0.99320986
  H      4.31982822      0.15757462      5.33871239
  H     -4.81372920     -0.46216569      7.91560768
  O      2.16885534      1.88292593      0.57041187
  H      3.58276003      1.47427043      5.65672543
  H      0.55401784      5.55598730      4.56435899
  O      4.17684770      1.70611804      2.38353151
  H     -0.59987149     -2.83957073      4.34355806
  H     -0.09960030      4.18425519      4.83294528
  O      4.77046557     -0.76201849      3.73901841
  H      0.04803505     -4.23399113      4.23835212
  H     -5.36033179      2.25076283      2.69175535
  O     -1.73095613     -0.93174794      7.08824280
  H     -3.01283916     -1.60932161      4.26844082
  H     -3.86947457      2.08308736      3.06077515
  O     -4.63240883     -0.84042766      4.35161734
  H     -1.91012952     -1.48774424      5.33193800
  H      0.24851752      0.43984344      3.49035831
  O     -3.98510669      2.44646313      6.01615896
  H      1.50722894      0.11039977      0.76206458
  H      1.54316669     -0.25311790      3.94210417
  O     -1.37282327      3.13576354      5.55977710
  H      0.26402556     -0.59828583      1.32567200
  H      2.06449968      1.93044314      4.30939124
  O     -4.35588682     -0.16055399      7.13512932
  H      2.51419302      2.17454281     -0.27003415
  H      2.10803283      3.45054623      4.55597687
  O      0.64087644      4.62345639      4.38229881
  H      2.92823759      1.81937397      1.17585303
  H      2.61396745     -0.34140331      8.72568607
  O     -4.77364741      1.83425650      3.31790824
  H      4.49424609      0.87500474      2.75431311
  H      2.86545481     -0.04007732      7.23128347
  O      0.97573088      0.50627315      4.12136278
  H      3.77654755      2.18635424      3.12246180
  H      1.96194624     -1.52010948      2.36729073
  O      2.66401170      2.66508930      4.51651528
  H      5.47164664     -1.38687864      3.57347661
  H      1.66467540     -2.40626645      3.62162344
  O      2.20612290     -0.37654233      7.86417623
  H      3.93412164     -1.22079396      3.54735149
  H     -1.44370698      2.83568288      2.37234105
  O      2.30743398     -1.80262242      3.23107163
  H     -1.09050392     -1.63012478      7.28645577
  H     -1.89544949      2.63712972      3.83962379
  O     -2.13933012      2.44602508      2.92402671
  H     -1.20303450     -0.12940829      6.97176619
  H      0.39404385      0.84462268      5.75244959
  O      0.11534801      1.07328442      6.65377018
  H     -4.74619699      0.01215048      3.91390024
  H      0.79836080      0.71274784      7.23164289
          69
 Energy    -249.05269648296900     
  O     15.98437490      9.92552656    -16.77106213
  H     15.11875530     10.19883185    -16.44571198
  H     20.90939917     10.18616076    -17.48109685
  O     15.58704778      4.99645729    -13.51196192
  H     16.41918738      9.46935062    -16.03074806
  H     18.09306122      8.58362269    -14.57430426
  O     17.68980479     13.86637350    -11.44055704
  H     15.64057038      5.27010248    -14.43600671
  H     16.68777278      8.51186802    -13.88190758
  O     20.03824407      8.65386408    -14.44099952
  H     16.44211535      5.21912703    -13.11269642
  H     13.44835614      9.46897228    -15.26774711
  O     15.74254388      6.42760865    -15.95843581
  H     16.92141168     13.36862094    -11.10510267
  H     12.68601830     10.73316795    -15.73484062
  O     17.23146517     10.32355574     -9.06636824
  H     17.51302400     14.78900452    -11.27951720
  H     17.73550910      8.82834012    -10.14468726
  O     15.69216796      8.61025048    -12.36359311
  H     20.21918639      9.05001276    -15.30362155
  H     18.53779698      8.95832199    -11.44624699
  O     17.64867030     12.10675163    -13.66000213
  H     20.07617889      7.69492165    -14.55124825
  H     14.14486175      7.27139004    -15.39761748
  O     19.62338415      5.97489751    -14.97268775
  H     15.86947358      6.62550275    -16.89208916
  H     13.37095841      7.39815769    -14.07698380
  O     13.76055149      6.59340809    -12.38294137
  H     16.32419093      7.04509907    -15.48859104
  H     19.48492840     11.30858241    -10.84195223
  O     18.02009664      5.86881476    -12.52376227
  H     17.19510581     10.35912184     -8.11380055
  H     18.85710984     12.66223056    -10.47270342
  O     20.20703985      9.75174552    -17.00509267
  H     17.98018577     10.88558634     -9.33714260
  H     18.75899720     10.88757556    -12.84712117
  O     17.14723866      8.50532069    -14.73243032
  H     15.03400321      7.91100331    -12.27084900
  H     19.76652898      9.72953523    -13.06679961
  O     13.54169037     10.42216842    -15.45236323
  H     16.43174069      8.42960738    -11.76832070
  H     16.03748087     11.50781930    -10.12146786
  O     18.01463311      8.33113964    -10.92418625
  H     17.74507146     12.82902164    -13.02675583
  H     15.31971262     11.86879756    -11.45090490
  O     13.43857030      7.76859096    -14.96487339
  H     16.74560275     11.77315610    -13.55761266
  H     18.17567372      7.28224036    -17.79005731
  O     19.23796041     11.86333385    -10.08798778
  H     19.35189089      6.29930243    -15.84966576
  H     19.45248136      8.03168436    -17.36727000
  O     19.35236688     10.27809724    -12.38656317
  H     20.09019440      5.15588121    -15.11856726
  H     14.49073686     11.02721419    -13.92198329
  O     15.66965195     12.24019050    -10.62978004
  H     13.20287036      6.14109112    -11.75726094
  H     15.25397020     10.22926739    -12.83961954
  O     19.03600597      7.16039580    -17.37250240
  H     14.37619781      5.92979319    -12.74839076
  H     18.13047378     11.81073524    -15.44508044
  O     15.07653898     11.12689808    -13.16394447
  H     18.16086215      6.62443300    -11.94265681
  H     17.43647669     11.11773866    -16.63458526
  O     18.27209357     11.51220653    -16.35313175
  H     18.59639032      5.97634594    -13.28912230
  H     16.22766787      8.56190356    -17.92987378
  O     16.42094665      7.73248701    -18.39867696
  H     19.53696907     10.43162261    -16.80877816
  H     16.09288062      7.83524613    -19.28810058
          69
 Energy    -249.05247253994921     
  O     17.09878497     10.21954977    -10.80905362
  H     17.43481945     10.85789167    -10.16645648
  H     15.22990447      7.88067782     -5.80294544
  O     15.58306425      4.15088726     -8.31966274
  H     16.14731699     10.35827520    -10.91279316
  H     14.86388576      6.84626450    -14.09513556
  O     18.00415795     11.63929996     -8.61827274
  H     15.66299811      3.27048169     -8.67781262
  H     15.41176593      5.90304725    -15.19172929
  O     13.66109481      5.57166112     -6.81264046
  H     15.65962147      4.76670000     -9.06785525
  H     16.37395276      6.07764054    -11.02905970
  O     14.36488437     10.41304751    -10.93319843
  H     18.45652265     12.45579548     -8.42278637
  H     16.08764981      6.80802947     -9.69674196
  O     18.62185777      8.93236436    -12.64053855
  H     18.66946037     10.93073205     -8.54305247
  H     17.39738389      9.19438941    -14.01698930
  O     20.97912933      8.64031093    -11.11747940
  H     14.23755776      4.98388068     -7.31730725
  H     16.35702387      8.27416396    -14.67948640
  O     17.54360930      6.35442662    -12.36419893
  H     14.22544123      5.98712983     -6.14823750
  H     14.07807137     11.10624794    -14.39860212
  O     12.40199275      7.60671588     -8.05218815
  H     14.07005786      9.50495478    -10.77406303
  H     15.18946497     10.09188408    -14.04165253
  O     15.09862265     11.39033135     -8.31385954
  H     14.27530073     10.56509545    -11.88365215
  H     16.80189654      8.93283755     -9.50742861
  O     14.62976380      9.04498568     -7.03201736
  H     19.51153966      8.90441273    -12.27098738
  H     15.95124197      8.57218777     -8.23900146
  O     15.46095664      7.12382393     -5.23922975
  H     18.08132451      9.42297913    -12.00032742
  H     20.27349092      9.42718137     -9.49036655
  O     15.67887458      6.47141066    -14.47434155
  H     20.65017518      7.74239749    -10.92535895
  H     19.64705160      8.75867374     -8.26018399
  O     15.79076714      6.07409947    -10.25828347
  H     21.90799188      8.55468889    -11.31443567
  H     16.81762658      5.94932271     -5.94528369
  O     16.59923072      9.20069101    -14.56214945
  H     17.93425189      7.23623357    -12.45140196
  H     16.85563675      4.85225515     -7.02121416
  O     14.34562529     10.47291528    -13.73801892
  H     16.95971936      6.25173880    -13.12649311
  H     13.05376027      7.66844133     -9.78456268
  O     16.60859971      8.24157323     -8.86225915
  H     12.78105117      6.81516314     -7.62772569
  H     14.28694717      7.09929115    -10.53205806
  O     19.83290719      9.62114772     -8.65432336
  H     11.48777188      7.65442284     -7.78570512
  H     19.06541351      6.06812949    -11.11553594
  O     17.41362879      5.35108102     -6.41264627
  H     14.78604529     11.21957870     -9.21213136
  H     19.50664549      6.38805020     -9.65665200
  O     13.55789328      7.73101592    -10.60483746
  H     16.05004487     11.54105312     -8.36758790
  H     18.59313038      6.37438453     -7.37972928
  O     19.82990793      6.25363870    -10.55950718
  H     13.80922011      8.67767722     -7.38401217
  H     18.11827054      7.49200873     -8.31174198
  O     18.91504835      7.02440818     -8.01787860
  H     14.71793350      9.95256331     -7.36091484
  H     13.64644068      8.67387003    -13.59256942
  O     13.51389700      7.73486908    -13.41443522
  H     15.47695512      7.44681998     -4.34157855
  H     13.38752145      7.66703130    -12.45876471
          69
 Ord_Energy   -249.051987    
 O   -1.41690969      -4.91110981E-03   4.64075184    
 H  -0.997608006     -0.768113911       4.22360468    
 H  -0.701686144      0.483091623       5.06360340    
 O    1.79859972      -2.59711957      -2.72280717    
 H    1.89644110      -2.97391343      -3.59318876    
 H    2.55846381      -2.00392866      -2.58332038    
 O   0.981924474       1.33934140       5.51800537    
 H    1.34273422       1.46220624       6.39269066    
 H    1.60019386      0.764637291       5.03775740    
 O    3.75013733     -0.828076303      -2.04017353    
 H    3.36520791       5.64706996E-02  -1.99532950    
 H    3.91486979      -1.09418225      -1.12577355    
 O    2.21102357       1.50148535      -1.40597820    
 H    1.94405341       2.42827845      -1.43022060    
 H    2.42649579       1.31972897     -0.481102228    
 O   0.198417395     -0.465891808      -1.68706334    
 H   0.616448998      -1.19135010      -2.16673374    
 H   0.849161088      0.247050017      -1.64030552    
 O   0.119800121       3.09780264       3.46138668    
 H   0.442987710       2.64133215       4.24608469    
 H   0.887335181       3.40766144       2.95641947    
 O    1.25737929       4.11794710     -0.927474856    
 H    1.19815195       4.94572163      -1.39728856    
 H   0.349478513       3.86798191     -0.681227982    
 O    1.62260473      -3.54816103      -3.60482186E-02
 H   0.788178384      -3.12021732      0.212768644    
 H    1.69346082      -3.44488311     -0.992658257    
 O   -3.51738119       1.18308234       3.37351203    
 H   -4.30806065       1.09925938       3.90034127    
 H   -2.79588389      0.776019633       3.88609505    
 O    3.57266140      -1.66965127      0.677835166    
 H    3.96474051      -1.95123982       1.51235604    
 H    2.90501404      -2.33209109      0.447660089    
 O   -1.12264597       3.12437105      -6.22531287E-02
 H  -0.692264259       2.35773325      0.343497336    
 H   -1.68967569       3.47480273      0.640366077    
 O    2.54949546      0.800420523       1.29552054    
 H    2.87556720      -7.72510692E-02   1.04684150    
 H    1.57630706      0.788947761       1.33599448    
 O   -2.32781959      0.847268462      -1.26864588    
 H   -1.53378892      0.390112996      -1.57522666    
 H   -2.04971123       1.74664164      -1.05389774    
 O    2.54503536     -0.261793673       3.89642167    
 H    2.63732481      0.227137953       3.06796002    
 H    3.17355084     -0.993922412       3.85462070    
 O   -2.39829612       3.63316464       2.32033467    
 H   -1.57182324       3.62965012       2.82369304    
 H   -2.89682794       2.87755275       2.65346003    
 O    2.03264380      -4.06558084       2.75605941    
 H    1.30689704      -3.50550532       3.06360292    
 H    1.91513443      -4.14864922       1.80151236    
 O    4.16282654      -2.50306892       3.33356905    
 H    4.88802958      -2.97140598       3.73760867    
 H    3.44886804      -3.15146875       3.18999553    
 O  -0.513838708      -1.94993031      0.582940996    
 H   -1.38920689      -1.61717010      0.827351213    
 H  -0.228647232      -1.39270079     -0.155909315    
 O  -0.117372848       1.06284738       1.55554485    
 H  -0.188152537       1.69674695       2.28384709    
 H  -0.923618555      0.535278499       1.52564371    
 O   0.248065844      -1.91572559       3.30357671    
 H   0.995150983      -1.32332432       3.45596790    
 H    2.39401907E-02  -1.85970533       2.36388898    
 O    2.24600077       3.62164974       1.76281857    
 H    1.98767245       3.92138863      0.882775545    
 H    2.57686090       2.72342849       1.64222693    
 O   -2.59297752     -0.330424696       1.19923091    
 H   -3.08173823      0.174191907       1.85864854    
 H   -2.69406247       9.92190018E-02  0.334973454    
          69
 Energy    -249.05189334601559     
  O     -1.07959012      0.27272584      0.69285502
  H     -1.91924492      0.68501375      0.92873127
  H     -3.76880085     -1.63807623      3.04255576
  O     -2.26661373      3.69777890     -1.46602185
  H     -1.21877702     -0.68189161      0.65593136
  H     -4.04702223      5.01875679      4.05666969
  O     -2.41610963      4.15075535      1.31825941
  H     -2.45505364      4.29988208     -2.18360292
  H     -3.17752305      4.34191976      2.97543275
  O      2.13011357     -1.22224554     -0.48491453
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  H     -0.15453130      1.07450127      4.04605260
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  H      1.52442494     -1.84322272     -0.90321532
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  O     -0.00638074     -2.70018584     -1.77706339
  H     -4.43531644     -3.21799793      1.23123350
  H     -3.59598714      2.39022457      4.26029272
  O     -1.39342085     -2.50965891      0.63823312
  H     -3.09355978     -2.47888081      1.02165034
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  O     -1.10085039     -1.73969900      5.11528583
  H     -0.16625087      0.21908278     -2.45922707
  H     -0.66363676      2.99616706      4.97705368
  O     -3.51745061     -1.38714671      3.93861621
  H     -1.66686625      0.10169382     -2.75041702
  H     -0.36144417      3.82222512     -0.98320083
  O     -3.46607953      4.27807378      3.90045022
  H     -4.27257971      0.56454772      0.26648954
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  O     -0.73458667      1.05151838      4.82161995
  H     -4.44065245     -0.93698937      0.03558988
  H      1.10608362     -2.15203557      2.66009419
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  H     -0.11194256     -2.33002827      3.60311692
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  H     -0.78445287     -2.64201770      1.38303835
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  H     -3.79189168      1.18442235     -3.18350725
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  H     -1.19568065     -2.28075192      5.89501042
  H      3.52600395     -1.23669925      2.35048254
  O      2.60217012     -1.09063584      2.16754276
  H     -3.70882426     -0.44643086      4.04299856
  H      2.49005536     -1.17025026      1.20227106
          69
 Energy    -249.05129603838239     
  O     12.46970840      8.02252284    -15.95920481
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          69
 Energy    -249.05099419723587     
  O      1.05478260      3.74649411      5.12469018
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  H     -2.22806177      4.67712307     -1.67047646
  O     -0.00017332      0.38618927      2.67601165
  H      3.21026387      1.39587565      1.74809552
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  O     -1.12000043      7.32850669      0.00993465
  H     -4.30819381      3.13753459      4.21123159
  H     -1.16615039      6.63644271     -0.66626502
          69
 Energy    -249.05070362199737     
  O     -6.54096108      2.07457569     -0.83576851
  H     -5.73318179      2.60458902     -0.76752044
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  O     -7.34212494      2.29309297      1.85814410
  H     -4.19126624      0.56743550     -4.49386826
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  O     -2.43179390     -0.58336772     -2.13899610
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  O     -0.57760400      1.99533077      1.27728924
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  O     -6.98101742     -0.48045013      2.58508955
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  H     -6.02136908      1.69845729     -3.91567110
  O     -3.27068536      1.36545914      1.17360040
  H      0.71097265     -1.07364728      2.27873069
  H     -7.47949030      2.10811616     -4.23588335
  O     -3.91787243      5.19186706      1.51288456
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  H     -6.49269210      3.50853062      2.76357346
  O     -6.93730474      1.67119710     -3.58485913
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  H     -6.53447487      4.63055573      3.82706254
  O     -5.94128604      4.12341555      3.27948064
  H     -0.68107962     -0.66721966     -1.53570562
  H      0.96784769      2.59485184     -1.83712564
  O      0.17781571      2.23617303     -1.44145288
  H     -3.78718623     -0.95462720      3.52508508
  H      0.28492988      1.26806743     -1.41331172
          69
 Energy    -249.05035540679012     
  O     12.31161540      8.47608389    -14.97113806
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  H     17.11395940      6.92673667    -11.10032807
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  H     18.02697652     10.58738093    -14.51561727
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  H     17.74423743     11.15584684    -13.07602645
  H     17.00465559      8.72002958     -9.78903985
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  H     14.92333990      4.02474766    -15.71661801
  H     17.04118063      7.39038132     -8.99994664
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  H     14.51420129      4.86763975    -14.48923338
  H     12.71072604      5.54648930    -13.12188565
  O     18.76560055      9.70172979    -16.03381216
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  H     18.91859295     12.08389050    -10.99002067
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  H     18.82555578     10.57979486    -11.35721261
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  H     19.00928482      8.49436618    -10.74515091
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  O     17.53303860      7.92257634     -9.63669147
  H     15.57506564      6.22988437     -7.15159511
  H     15.32875697     10.27917482    -10.83236766
  O     13.48486671      4.97139508    -13.08437155
  H     15.06556851      7.33700971     -8.10707385
  H     15.21756976      7.91993043    -14.97823851
  O     18.33573254     11.42504552    -11.35633012
  H     19.44196418      9.94348077    -16.66224828
  H     14.91859445      6.62604350    -15.77876840
  O     19.48153469      9.01856431    -11.40242355
  H     17.95846700      9.53075932    -16.54345794
  H     13.12229564      8.72604416    -11.26029273
  O     16.01495819     10.26056107    -10.14987536
  H     17.40727563      5.69999409    -13.30696041
  H     12.09942089      7.59385404    -11.47242080
  O     14.87056678      7.58932356    -15.82335624
  H     16.90212365      5.25762724    -14.68044998
  H     13.68708655     11.32354217    -14.86557048
  O     12.69324734      7.97937675    -10.81642904
  H     18.79432494      6.99081552    -14.08088540
  H     12.33436263     11.99673761    -14.53009213
  O     12.85542636     11.21490852    -14.36954515
  H     19.16657930      8.36363128    -14.67439591
  H     15.79560810      8.63734243    -16.87182331
  O     16.31772850      9.29873990    -17.35930263
  H     15.51148359     10.78428825    -16.34171996
  H     16.09621968      9.19541377    -18.28132302
          69
 Energy    -249.04992982229663     
  O     18.97148446      6.11198169    -10.31808867
  H     18.25298649      5.46373410    -10.28635586
  H     15.83713623      8.83700739    -15.27266006
  O     16.51321940     10.41279840    -14.55257006
  H     18.77533119      6.71776525     -9.59670904
  H     13.86984154      4.18800274    -13.38339903
  O     13.18334120      6.72733900    -11.84298035
  H     16.88092105     11.15363467    -15.02679609
  H     12.37101802      4.21608645    -13.71909141
  O     11.67037127      4.32213929    -15.40184976
  H     17.21345367     10.08066159    -13.96193317
  H     16.27197930      7.72237977    -11.33329977
  O     14.20675475     10.43168206    -12.86313537
  H     14.14870511      6.82468559    -11.82289399
  H     16.16125568      6.17201790    -11.18011615
  O     16.94119368      9.20897530    -10.44310442
  H     13.00256233      5.83254189    -12.16573968
  H     20.49007047      6.63932134    -13.04933116
  O     18.35277829      9.44899610    -12.83319479
  H     12.44876580      4.05855392    -15.90818063
  H     19.39361543      6.58067571    -11.96358978
  O     14.20881993      3.87616984    -16.74881588
  H     11.48953728      5.23450568    -15.65918448
  H     13.80295487      8.70775150     -9.53111654
  O     17.71227294      7.71397742     -8.19832857
  H     14.99240775     10.52177444    -13.41582190
  H     13.26430902      7.39416028    -10.12774654
  O     11.44987919      7.10394470    -16.13130114
  H     13.65014270      9.77615833    -13.30162661
  H     14.69441658      6.79852285     -8.44686594
  O     13.97315640      6.51263949    -17.34213315
  H     16.12072794      9.68829558    -10.26709462
  H     14.88458287      5.84540897     -7.24406475
  O     15.47101441      7.96383841    -15.45997855
  H     17.23636556      8.80790076     -9.61643162
  H     12.97269644      7.69598515    -13.34463303
  O     12.99243742      4.25016772    -12.97889394
  H     17.94521767      9.45348347    -11.95573858
  H     13.85508454      8.07312879    -14.58026052
  O     15.91449395      6.92329069    -11.73824115
  H     18.82940412      8.61405892    -12.90309600
  H     14.10616597     11.22015565     -9.83334668
  O     19.57642004      6.85368550    -12.87993167
  H     14.17840900      4.81096326    -17.02024721
  H     14.30138777     10.42526069    -11.14543278
  O     13.58779216      7.79457689     -9.30815538
  H     14.32886585      3.36326015    -17.54365674
  H     18.02556896      6.31901316    -13.86628273
  O     15.34382322      6.24050307     -7.98049891
  H     18.06274607      7.91583762     -7.33399622
  H     16.61845613      6.47663070    -13.27843498
  O     12.99531164      8.21995737    -14.15882000
  H     16.91048692      7.18529968     -8.05814515
  H     16.05970350      5.06554067     -9.34006486
  O     14.42436577     10.39051112    -10.17870956
  H     11.90488406      7.55345873    -15.39905261
  H     16.05065059      4.06065086    -10.55096530
  O     17.09399679      6.19415215    -14.07720467
  H     10.68926038      7.63620353    -16.34928777
  H     15.50000210      3.06272891    -12.49644742
  O     16.55105645      4.76581478    -10.11297547
  H     13.07313264      6.75225873    -17.08784365
  H     14.19986755      3.20342180    -11.72882994
  O     15.12965770      2.97725105    -11.60651405
  H     14.55670594      7.07068106    -16.81025755
  H     15.14420431      3.79924889    -15.13859466
  O     15.52355910      3.87788455    -14.25380561
  H     16.08247261      7.32041941    -15.07534120
  H     16.13499875      4.62553653    -14.27161460
          69
 Energy    -249.04907130397868     
  O     13.70708842     11.48963616     -8.76044700
  H     13.73084213     11.52655702     -7.80818883
  H     10.14922473     12.99816341    -13.49987943
  O     11.25641589     10.97675135    -15.35484087
  H     14.31494702     12.17945287     -9.08391291
  H     13.42485009     13.32322958    -12.56454165
  O     14.42051457      9.22736481    -10.37538118
  H     11.34901229     11.18207218    -16.29326270
  H     13.31435098     14.66604820    -11.81606876
  O     18.52677087     13.41087950    -13.46942504
  H     11.15234469     11.82208695    -14.89263955
  H     12.05814486     13.55920155    -16.97436197
  O     11.69188051     11.84974747    -10.68210046
  H     13.60608393      9.09139265    -10.87509414
  H     11.71485336     14.09444517    -15.57581152
  O     12.07576097      9.38616954    -11.93908369
  H     14.23370889      9.94927888     -9.76271635
  H     15.36384060     12.14694642    -12.77443392
  O     13.55240348      9.84875861    -14.23757071
  H     19.44974618     13.59720001    -13.61665756
  H     14.25296110     11.38111428    -13.57399052
  O     14.80030375     15.69738999    -11.29884904
  H     18.19886706     12.95205434    -14.26457754
  H     16.61991294     12.85856861    -15.76562313
  O      9.80708385      9.37058690    -13.63359773
  H     12.03518660     12.62763732    -11.14422046
  H     16.94509610     11.36556854    -15.58889709
  O     14.93008328     13.74693241    -15.60521522
  H     12.26596442     11.72281609     -9.91629040
  H     12.78354419     11.67737095    -17.85984829
  O     14.45849992     11.55515730    -17.44195780
  H     11.94445322     10.24955948    -11.51803607
  H     11.61100994     11.77776519    -18.86722354
  O     10.84135430     13.39924066    -14.04509235
  H     11.26048799      9.19634174    -12.41820583
  H     17.38238721      8.57436770    -11.26535461
  O     12.78838310     13.94067307    -12.16890968
  H     12.82137049     10.22491553    -14.74824615
  H     15.98303060      9.20468754    -11.17820024
  O     12.31812327     14.21822709    -16.32084097
  H     13.16560727      9.55732735    -13.40103205
  H     15.09077883      9.70770960    -15.15690079
  O     14.57728189     12.25455908    -13.32575895
  H     15.35510988     15.58067230    -12.09021573
  H     16.31374581      8.91994467    -15.66257519
  O     17.34382991     12.24407037    -15.58811714
  H     14.85413789     16.61931162    -11.06177430
  H     16.96672216     11.04948315    -11.72108165
  O     11.82547857     11.83889372    -17.94078128
  H      9.19757239      8.78326415    -14.07303476
  H     17.53798951     12.42059673    -12.25304383
  O     16.84558483      9.27594745    -11.62447932
  H     10.25963471      9.87754185    -14.32885131
  H      9.30505130     11.00611728    -12.64942347
  O     15.87719880      9.76611188    -15.72396132
  H     14.05324465     14.06238173    -15.87084885
  H      9.98963956     11.88022195    -11.58484234
  O     16.83252074     12.00853830    -11.74045749
  H     14.80659849     13.21420561    -14.80235059
  H     15.84373861     14.95017172    -14.32526363
  O      9.32087638     11.89753355    -12.28285896
  H     14.96913159     10.84719246    -17.03319624
  H     17.10951755     14.73399875    -13.47269507
  O     16.30421640     15.26131544    -13.53740778
  H     14.64908166     12.34477071    -16.92055301
  H     15.98255375     12.86891435    -10.38686872
  O     15.39997147     13.33244660     -9.76789823
  H     11.50831473     13.71947012    -13.42089713
  H     15.19834403     14.17959153    -10.17982524
          69
 Energy    -249.04865870272363     
  O      1.66660599      2.18175992      3.04642094
  H      2.16471047      1.37548570      3.22555335
  H     -1.35287806     -3.57554637      4.23586866
  O      1.10359568      3.13213919      0.56512442
  H      0.89141167      2.16593690      3.62297056
  H     -3.79284612      0.09443933      2.68933622
  O     -0.90546516     -1.87436184      4.86306042
  H      1.33447265      2.79248703      1.44814943
  H     -3.75034439      1.52094600      3.27013955
  O      1.60456130     -3.64714361     -2.18509776
  H      1.64173822      3.90608314      0.42081186
  H     -2.74231576     -0.04434117      0.42234433
  O     -2.32254636     -1.67212167     -2.38073071
  H     -1.47691967     -1.28885242      5.37135978
  H     -2.76958942     -1.52937162      0.83894993
  O      0.47280410     -1.26452436     -2.90657910
  H     -0.79249328     -1.43297368      4.00724849
  H     -0.70406073      0.52011847      3.08884626
  O     -2.93894611      3.21850570      2.95140246
  H      2.13956628     -4.00085405     -2.88962757
  H     -1.50727617     -0.39488863      2.11037980
  O     -3.23330412     -4.71819966      1.74342237
  H      1.25615181     -2.79921795     -2.51075920
  H      1.05687078     -3.60038295     -0.50421221
  O     -1.97903863      0.78269484     -1.03614374
  H     -2.96761651     -2.09334866     -2.94267988
  H      1.06392835     -2.53197222      0.62952179
  O      0.81059863      0.74953473     -0.92037852
  H     -2.25422055     -2.21539548     -1.57661290
  H      0.93635259     -2.22988799      4.79350276
  O      1.25189319     -4.65322194      2.75882362
  H     -0.48113587     -1.39439654     -2.83851469
  H      1.73368583     -3.19985387      3.90753801
  O     -1.41952610     -4.40929483      3.75286562
  H      0.68019631     -0.50236325     -2.35123015
  H      0.73707977     -0.68559905      1.65878138
  O     -3.96545798      0.60544852      3.49069169
  H     -2.54743358      3.20025963      2.05905746
  H      2.27166973     -0.72418030      1.76639384
  O     -2.99005197     -0.63901688      1.14400966
  H     -3.37990179      4.05885735      3.04018888
  H     -1.51906204      2.48013821      3.89147011
  O     -0.67359039     -0.30571413      2.59048510
  H     -2.62530375     -4.63830909      2.49915982
  H     -1.29916561      1.40162781      4.97542646
  O      0.72049881     -3.40321820      0.38234411
  H     -3.99559379     -5.18994234      2.06587395
  H     -3.13402817      0.28162670      5.00126893
  O      1.82247707     -2.40796508      4.45184318
  H     -1.01084151      0.76546514     -0.99255558
  H     -3.14189471      0.32474598      6.54807085
  O      1.54381467     -0.90016809      1.16055532
  H     -2.22728274      0.06063384     -1.62614887
  H      4.03813713     -0.30855581      3.67057949
  O     -0.84166404      1.93118328      4.31039645
  H      0.98750822      1.62550962     -0.55683032
  H      2.67979000     -1.02794353      3.82930217
  O     -2.57049454      0.21094930      5.79367578
  H      1.13232909      0.12469139     -0.25369938
  H     -1.09740896     -3.17181786      0.13869889
  O      3.12671905     -0.28034622      3.39238274
  H      1.72852327     -5.46560633      2.60812035
  H     -2.51891710     -3.67702252      0.52617376
  O     -2.04112850     -3.02268211     -0.00564791
  H      1.06364612     -4.27373463      1.88365124
  H     -0.78486532      3.17791174      0.54836306
  O     -1.74625655      3.09075913      0.55200893
  H     -0.52179593     -4.60991696      3.46249079
  H     -1.95740147      2.39006380     -0.07790817
          69
 Energy    -249.04832741408615     
  O     14.30937146      6.22222761    -15.91480907
  H     14.74795151      5.53516708    -16.43460357
  H     19.49181293      6.63014420    -16.49302533
  O     18.18455553      7.57650512    -11.82953927
  H     13.98802927      6.91081384    -16.50997866
  H     19.37702558      8.72299783    -18.28269572
  O     19.81360702      6.79738959    -18.29510711
  H     19.00498387      7.74563575    -12.30580152
  H     19.07075767      9.86996523    -17.29259414
  O     17.22413472      6.18543899    -18.80037994
  H     17.55996952      8.23938297    -12.16700655
  H     15.87939598      7.11601763    -15.36312940
  O     13.97653202      8.38313455     -9.88648926
  H     20.41708985      6.42309115    -18.93093473
  H     16.58071708      8.21816297    -14.50833797
  O     14.16035199      6.03310238    -13.19746314
  H     18.91789652      6.51891958    -18.55981016
  H     13.81067226      9.64328147    -15.86942199
  O     16.45122902      9.29584578    -12.98493246
  H     16.76768983      5.51145706    -18.28328739
  H     13.76274192      9.73860038    -14.32131955
  O     17.58694923      4.31356852    -15.00115883
  H     16.82211121      7.03330820    -18.56913491
  H     14.89362133      4.84313865    -10.06755970
  O     13.38982015      5.62820243    -10.53217132
  H     14.89370124      8.07939003     -9.76253182
  H     15.76011681      3.78806611     -9.33684684
  O     19.06459153     10.29135387    -15.51842289
  H     13.74890737      8.88725878     -9.10981818
  H     14.63119311      8.66524198    -17.70799833
  O     15.91009870      4.28818952    -17.11537397
  H     14.06520022      5.98735861    -14.15817744
  H     13.16138766      8.73754885    -18.19202771
  O     19.19756719      6.55970910    -15.57597012
  H     15.06932851      5.77399654    -12.98937827
  H     21.15757255      8.29396630    -13.68738393
  O     18.92817903      9.57194536    -18.20440870
  H     16.53168871     10.13046823    -13.46332950
  H     19.95040083      7.59733239    -14.35610351
  O     16.67352593      7.65948769    -15.28871476
  H     15.51082118      9.15117786    -12.81187769
  H     17.30489319      6.02381579    -12.29198688
  O     14.02986829     10.20936969    -15.12121844
  H     18.29125099      4.94728922    -15.18994708
  H     16.52339612      4.86730831    -11.61784659
  O     15.80880955      4.55125177     -9.90552370
  H     17.28710267      4.51753434    -14.10562073
  H     17.18128953      7.47092708    -10.22906068
  O     13.70626141      8.51038217    -17.44318262
  H     13.47082480      5.67438472    -11.49555889
  H     16.34620683      6.37005362     -9.55325394
  O     20.20429847      8.25195228    -13.68270700
  H     13.41631312      6.54383585    -10.22874399
  H     13.71144745      8.75347147    -11.70632518
  O     16.75368165      5.24961640    -12.47400119
  H     18.21386037     10.65862284    -15.25097350
  H     13.83669931      7.78690099    -12.90159714
  O     16.47502508      7.32609493     -9.58647920
  H     19.36843392      9.72385689    -14.80298629
  H     15.59604989     11.01956539    -15.00057648
  O     13.76834205      8.72544655    -12.67034436
  H     15.72918425      3.39163391    -17.38464208
  H     16.38581871     12.33592445    -14.82005385
  O     16.47223202     11.38669163    -14.78594128
  H     16.51742383      4.23739883    -16.35411618
  H     17.19076636      9.14970298    -18.10910515
  O     16.36932533      8.71898350    -17.83240380
  H     18.31208897      6.95424980    -15.52284815
  H     16.51804797      8.44161555    -16.91599587
          69
 Energy    -249.04814562114376     
  O     16.87515051     10.84736043    -17.60981250
  H     15.94636482     11.09872812    -17.60444507
  H     16.78105458      6.06615259    -12.94818333
  O     15.56964484      5.54637514    -14.20715743
  H     16.98215978     10.20447589    -16.88881512
  H     19.82832360      9.29189668    -17.85635291
  O     17.71690250     14.26166680    -12.19587072
  H     16.13617567      5.70658887    -14.97272673
  H     21.34289049      9.57174578    -17.75459954
  O     19.85987220      8.82310347    -14.64466602
  H     14.76041262      6.04213190    -14.37797666
  H     16.50677909      9.09923205    -14.85648570
  O     16.34247293      6.99660785    -18.60883045
  H     18.05395045     13.60478741    -11.55992668
  H     18.05717014      9.07292783    -15.11407940
  O     15.84360161     11.15497411     -9.95200235
  H     18.08055981     15.10493445    -11.94132650
  H     14.38095014     11.49069275    -16.17057444
  O     15.12007420      9.23009811    -13.67777021
  H     19.87173729      7.86276432    -14.53862464
  H     13.45723705     11.80705231    -17.36888694
  O     17.69419703     12.39944317    -14.30178892
  H     20.19383974      9.03500341    -15.52663584
  H     16.37489877      9.57098321    -10.82557184
  O     19.51156068      6.07023893    -14.27331705
  H     16.74767061      6.63027472    -17.80383613
  H     17.48461224      9.39703635    -11.88240629
  O     13.42497463      7.31133412    -14.80254208
  H     16.12729532      6.25354566    -19.16778195
  H     14.16068692      9.28657627    -17.24945221
  O     17.44810177      6.36915804    -16.20277378
  H     15.52304101     11.77252952    -10.63323765
  H     14.86964290      7.99596785    -17.75140690
  O     17.55319759      6.40227465    -12.46813218
  H     15.29662545     11.28866925     -9.18250834
  H     18.75444453     11.54466327    -11.20381300
  O     20.53486676      9.57047632    -17.24774153
  H     15.56963171      9.01875468    -12.84867811
  H     17.64913545     11.85256713    -10.18191509
  O     17.18962766      9.03398079    -15.53667678
  H     14.50223556      8.52555182    -13.90582486
  H     18.34403105     11.06669039    -13.25703898
  O     14.14551922     11.21658856    -17.07374651
  H     17.82362170     13.17807796    -13.74713208
  H     19.31282708      9.85626108    -13.25903867
  O     16.73623684      8.94350937    -11.46335219
  H     18.29413067     12.42569178    -15.06160034
  H     15.92278856     13.52284744    -12.00746815
  O     14.14234150      8.32297481    -17.21034884
  H     20.08345304      5.35534516    -14.00910738
  H     14.93460891     12.63102847    -12.78098921
  O     18.45851036     12.21025493    -10.56694709
  H     18.84720749      6.17556309    -13.56529654
  H     14.94772110     10.90654300    -14.17915176
  O     18.74831552     10.39410376    -12.68920479
  H     13.64393591      7.63567457    -15.69502348
  H     15.94323012     12.04189921    -14.54263991
  O     15.15531508     12.94795228    -11.89692061
  H     12.48615419      7.14733181    -14.78983972
  H     19.77194793     11.37335691    -16.75643847
  O     15.00213841     11.80860819    -14.53268941
  H     17.30440443      7.30853486    -16.00261446
  H     18.34287907     11.82581505    -17.05914781
  O     19.15155207     12.09150032    -16.59591202
  H     18.22221811      6.11041655    -15.68989630
  H     17.82752074      8.22416581    -18.92620997
  O     18.43946848      8.96750430    -18.90060389
  H     17.26723220      7.18822114    -11.99003067
  H     17.88776585      9.72289088    -18.64927312
          69
 Energy    -249.04798727806386     
  O     11.04865951     10.05108089    -10.47635007
  H     11.99931015     10.14701483    -10.62515119
  H     14.73570441      7.62089941    -17.42121812
  O     13.52239843      7.55801941    -14.60833278
  H     10.64953438     10.04781988    -11.35602678
  H     17.65537794      7.13898846    -16.94612124
  O     16.51269234      9.69620630    -11.18558060
  H     13.25787237      6.81730941    -14.04902736
  H     18.02003174      5.72114956    -17.44084613
  O     17.61118203      8.84435000    -17.27853000
  H     13.86842411      7.21575687    -15.44613506
  H     15.06399582      8.02702277    -13.83062725
  O     12.82915258     10.09254892    -13.94143825
  H     16.89001576      9.00920927    -10.61937653
  H     15.96327385      8.64217313    -12.67972526
  O     15.76377612      5.81471294    -10.27388147
  H     17.26025027     10.09996985    -11.64413666
  H     10.18623059      7.41307003     -8.83857291
  O     12.98365948      5.62742618    -12.71751304
  H     16.77556816      9.05217681    -17.71577233
  H     10.77475861      8.44920539     -9.82932786
  O     13.74550733      9.87120660    -11.30546469
  H     17.62927678      9.40108040    -16.48856667
  H     18.75649033      6.96432824    -12.91135939
  O     14.93716210      9.35777587    -18.11777638
  H     13.02978540      9.19502884    -14.25467992
  H     18.78096030      7.49182819    -11.46201736
  O     15.56285380      4.37162046    -12.74464513
  H     11.88291266     10.09255281    -13.75400726
  H     11.15622088      6.36429352    -12.65530814
  O     17.20828557     10.26373078    -14.88926164
  H     14.91879640      6.28440756    -10.23115233
  H     10.42163261      7.00647085    -11.46452122
  O     14.70506612      6.78804178    -16.93050751
  H     15.72037723      5.24830434    -11.05232291
  H     19.07229667      9.35631070    -12.58908977
  O     17.54984977      6.18906737    -16.75583806
  H     13.77443220      5.08056374    -12.79542047
  H     19.71127215     10.75202001    -12.39663814
  O     15.96760813      8.20804328    -13.53999133
  H     13.11905991      6.17805489    -11.93104138
  H     16.92878671      6.78781027    -13.79029228
  O     10.72168171      7.49804817     -9.62209609
  H     13.52622616     10.02390042    -12.23578589
  H     17.56871952      5.95180930    -14.92264910
  O     19.17977631      7.61083461    -12.33427780
  H     14.69526790     10.00421614    -11.19323382
  H     18.10253776      7.44093096     -8.97718450
  O     10.42917110      6.95538412    -12.42916299
  H     14.77456012      9.95511631    -17.36545017
  H     17.06759910      6.87259853     -9.97769439
  O     18.89657449     10.31397841    -12.62717431
  H     14.55043563      9.77189225    -18.88412382
  H     15.53717516     10.91232785    -15.52951434
  O     17.44336967      5.98192924    -13.96558736
  H     16.25062817      4.87890063    -13.20697899
  H     14.01495722     10.80360308    -15.24114595
  O     17.76116302      7.54737145     -9.86073455
  H     15.77705998      3.44958884    -12.86577853
  H     13.52841697      8.14358392    -10.76714100
  O     14.66352292     10.95323403    -15.94019426
  H     17.88060446     10.48077643    -14.23465883
  H     12.51781882      7.22022742    -10.04022411
  O     13.38140689      7.23426230    -10.47086341
  H     16.73748431      9.50174347    -14.51660725
  H     10.24325365      8.62984316    -12.98337907
  O     10.16184662      9.58521439    -13.15330879
  H     15.61446873      6.47316714    -16.88264650
  H      9.32634153      9.71384645    -13.59448680
          69
 Energy    -249.04786835916116     
  O     12.82292977     11.36306985    -14.62908354
  H     12.74062612     10.46394915    -14.97860818
  H     14.06090315      5.36377524    -13.96338283
  O     15.02726219      6.41363841    -12.62154670
  H     13.60087853     11.72972829    -15.06552151
  H     19.40342888      5.07887846    -14.43944405
  O     18.37231230      9.39467059    -12.08277070
  H     15.22216931      7.00720725    -13.36486298
  H     18.23392067      5.95080197    -14.95040216
  O     18.20718804      8.87513125    -17.12899387
  H     14.32578444      6.85538679    -12.12867536
  H     15.46876382     10.64112600    -17.06367900
  O     11.47205973      7.06162597    -13.67080754
  H     18.24030372      9.79401684    -11.21403588
  H     16.48204919      9.56314027    -17.48810374
  O     14.91192200     10.60422519     -9.63462936
  H     18.11111569      8.46596247    -11.99438954
  H     15.97298800      7.54298495    -15.31907451
  O     12.97281367      8.01703155    -11.54403233
  H     18.90834850      9.06293706    -17.74835663
  H     14.60274786      8.27784842    -15.06562767
  O     16.36538283     10.43804180    -13.66432839
  H     18.60918523      8.90140778    -16.24260013
  H     17.18406670      8.44525063     -9.26598965
  O     14.69955284      5.72571614    -17.12575714
  H     11.93163910      7.37667614    -12.87440745
  H     17.17249240      7.13247775    -10.07080866
  O     14.11810059      7.90300218     -8.98894823
  H     10.54726074      7.00011296    -13.44505756
  H     19.36348546      7.70671457    -14.49765322
  O     17.15051233      6.40462152    -16.26567595
  H     14.51069981     10.73113609    -10.50518709
  H     19.15361338      9.06350763    -13.81085272
  O     13.43706923      5.19909180    -14.68128817
  H     14.54734854      9.77635704     -9.29984103
  H     18.14530274      6.30654483    -12.56655044
  O     18.89045767      5.85734012    -14.23788594
  H     13.22871065      7.92467465    -10.61742420
  H     16.70669709      6.51963843    -12.04893874
  O     15.58500868      9.88122223    -17.64712805
  H     13.27819647      8.89221919    -11.82754195
  H     17.98168993     10.89711976     -8.88160300
  O     15.48572539      8.10827608    -14.70955380
  H     17.10749293     10.21543280    -13.09009356
  H     16.65693519     10.50255760     -9.57581475
  O     16.80067676      7.55988723     -9.28852811
  H     16.09339033      9.60438231    -14.08236301
  H     14.28149823      8.78377322    -18.01575874
  O     19.35934535      8.65823648    -14.66168610
  H     14.23868294      6.46713809    -17.53387304
  H     13.18246736      8.31548250    -19.00039948
  O     17.63856388      6.68957074    -11.84098228
  H     14.20288114      5.48225748    -16.33012696
  H     13.39542221     10.91036404    -12.95779367
  O     17.61110530     10.31067198     -9.53555290
  H     13.85071090      7.54523866     -8.14649593
  H     14.83470990     10.48814810    -12.64119153
  O     13.54665812      8.15393447    -18.13446791
  H     15.06533592      7.69924400     -9.08974307
  H     15.83298453     11.52246134    -14.97168253
  O     13.94603714     10.52486138    -12.26230799
  H     17.48905033      7.15314528    -16.77209079
  H     15.83623851     12.85086845    -15.76040737
  O     15.42934183     11.98869294    -15.72384943
  H     16.33972828      6.07173427    -16.68318108
  H     12.29916792      8.09021857    -15.00553118
  O     12.86657963      8.69771218    -15.49542123
  H     12.64199403      5.67416174    -14.41507843
  H     12.88677534      8.44169595    -16.42652764
          69
 Energy    -249.04727192744076     
  O     17.23618232     10.86924829    -17.69442945
  H     17.63456996     10.37767301    -18.42130379
  H     19.09210411      6.67664640    -12.75521247
  O     16.03899880      5.75058190    -13.25294197
  H     17.13136421     10.20812128    -16.99257300
  H     20.63509276      9.06404929    -15.95454399
  O     16.31709566     13.39055691    -12.68160515
  H     16.88721013      6.01382275    -12.84664562
  H     21.77986759      9.77156954    -15.19066724
  O     16.10294470      7.21215016    -18.45027179
  H     15.77431946      4.93656473    -12.83318167
  H     16.02640378      9.12507605    -15.39028414
  O     14.13525558     10.71100141    -11.32587823
  H     15.35451669     13.37856275    -12.75925787
  H     17.50848407      9.46687955    -15.00283588
  O     14.98064090      8.33361955    -12.65737378
  H     16.66047141     13.24463326    -13.57079607
  H     15.43288845     11.15051068    -18.07865824
  O     17.11951769     12.42867593    -15.28148492
  H     16.32195448      6.73938535    -17.63755273
  H     14.25279311     11.62515519    -17.21814317
  O     20.40087182      6.80165327    -13.98226694
  H     15.25784214      7.64711614    -18.28194642
  H     16.60495076      9.00894084    -12.08385019
  O     14.22513141      9.26012815    -15.13143596
  H     14.30579750      9.82961188    -11.68044003
  H     17.28810880     10.11379163    -11.23525069
  O     19.53565524      5.63752763    -16.46386816
  H     14.96012076     10.99970669    -10.91504081
  H     13.92031235      9.53910868    -18.00183874
  O     16.94465466      6.29297325    -15.88752687
  H     14.62251800      8.63873276    -13.50423635
  H     12.85401937      8.44918681    -18.27234158
  O     18.31484922      6.66165162    -12.17750073
  H     15.22966075      7.41134934    -12.79166829
  H     17.00198313     12.22689152     -9.80144262
  O     20.90284747      9.41252585    -15.08461982
  H     17.68029832     11.82548504    -14.76843692
  H     16.65573096     12.34981930    -11.30468393
  O     16.95181895      9.00222812    -15.64066810
  H     17.25756465     12.17762131    -16.20276281
  H     19.44762726     10.15268154    -14.27673741
  O     14.46650305     11.18924746    -18.05336939
  H     20.65585604      7.68718701    -14.26581150
  H     18.33688348     10.07567212    -13.15750432
  O     17.46309349      9.32710507    -11.76694254
  H     20.20282301      6.31698896    -14.79243811
  H     13.63774903     12.07342920    -12.29936812
  O     13.68275676      8.60966720    -17.82857747
  H     13.94230194      8.91553722    -15.98726499
  H     12.74271726     13.32463218    -12.47670129
  O     16.70474277     11.72761256    -10.55717937
  H     14.18251840     10.22646904    -15.18279286
  H     19.99201326      7.31551692    -17.18501059
  O     18.59168528     10.49724758    -13.98961916
  H     19.60737560      4.75268009    -16.81166696
  H     19.50484801      8.46714625    -18.09167210
  O     13.49765963     12.87103366    -12.84101111
  H     18.59525763      5.78877770    -16.26754490
  H     15.29381188     12.18816595    -15.29822953
  O     20.13981005      8.24531583    -17.40120610
  H     16.56452457      6.00011535    -15.05127341
  H     13.94268024     12.37344168    -14.55157542
  O     14.34347201     12.01021748    -15.35088397
  H     17.03556465      7.25785167    -15.81720124
  H     17.41217230      8.21073613    -19.08079224
  O     18.14268600      8.78442244    -19.37317914
  H     18.17105312      7.56973306    -11.88504602
  H     18.24455484      8.64057852    -20.31022280
          69
 Energy    -249.04726944732303     
  O     11.79802574     11.07644376    -14.19464886
  H     12.46243213     11.77486354    -14.22770463
  H     18.46471818      7.56052952    -14.24151316
  O     15.52699639      6.57787217    -13.22998788
  H     11.96346097     10.50564840    -14.95763294
  H     15.19977224     11.32473221    -16.91659135
  O     17.82752139     10.39519984    -12.77171998
  H     15.28931937      7.43142593    -13.61990175
  H     16.38242051     11.81939386    -16.04623887
  O     18.03348123     11.32202751    -15.43129330
  H     15.01860191      6.51580702    -12.41205172
  H     13.97760994      9.08591358    -14.88599645
  O     12.14309407      6.54647467    -15.63140912
  H     18.12016815     10.13236514    -11.89158519
  H     15.46735506      8.81356892    -15.16824490
  O     15.90714986      9.15377080     -8.99770628
  H     16.90385226     10.66771892    -12.67282341
  H     10.34582741      9.89000191    -11.68126267
  O     13.96180319      6.77918300    -10.97212265
  H     18.04138710     11.24572821    -14.46682310
  H     11.39676734     10.19218743    -12.77622511
  O     15.13235677     10.98993229    -12.66139093
  H     18.40970383     10.49055007    -15.72875328
  H     18.31253873      6.46527293    -11.34650453
  O     16.39301961      8.08568406    -16.63695070
  H     11.42526571      5.96778746    -15.87513180
  H     18.37903099      7.66656305    -10.37476671
  O     15.92091267      6.27481313     -9.02670953
  H     12.07119761      6.68846292    -14.66959000
  H     11.60650245      7.90866196    -12.67671100
  O     14.92522444      5.86908257    -15.88764951
  H     15.85245700      8.20100743     -8.85451984
  H     12.56458151      6.77270147    -12.28919239
  O     18.33884125      8.38763934    -14.72134946
  H     15.10586245      9.39477083     -9.48060909
  H     17.22576518      6.18123619    -13.18828790
  O     15.46677446     12.01049302    -16.29660879
  H     13.90297801      7.74310259    -10.89100577
  H     18.32142837      5.13660517    -13.51427475
  O     14.83516813      8.97749021    -14.45709329
  H     14.53660835      6.48273378    -10.25555431
  H     17.47017845      9.49396392     -9.71416158
  O     11.20859308      9.63651127    -11.99794396
  H     15.03022346     10.27129874    -13.30789212
  H     18.91853791      9.99351377     -9.50474994
  O     18.20393542      6.71826968    -10.42208335
  H     14.75659694     11.77542907    -13.07574597
  H     15.37972810      9.15386781    -17.59093554
  O     11.94597813      7.05518365    -12.97347094
  H     17.16908639      8.13522865    -16.06055893
  H     14.83970776      9.75917445    -18.90855708
  O     18.18621314      6.01791624    -13.17436736
  H     15.94638900      7.23884490    -16.47973766
  H     12.81823919      9.63664946    -11.04161201
  O     18.34850613      9.55451868    -10.13116289
  H     16.08398387      5.66443718     -8.31298842
  H     14.25126022     10.11225861    -11.36228545
  O     14.71477109      9.75963431    -17.96301907
  H     16.75560040      6.35811604     -9.52268133
  H     13.92803048     13.89608538    -14.32166280
  O     13.73559937      9.56689307    -10.75010522
  H     13.97380376      6.02695757    -15.92450962
  H     14.47830340     12.64319136    -15.04465450
  O     13.94603202     12.94400954    -14.28462519
  H     15.13914741      5.89549433    -14.94522336
  H     13.21411200      9.41373621    -16.87564411
  O     12.59948990      9.26106153    -16.14630024
  H     18.15593141      9.05453692    -14.04437196
  H     12.38283414      8.31936630    -16.12012578
          69
 Energy    -249.04725819870788     
  O     12.95618028     11.27754634    -11.17323849
  H     12.29921617     10.93102568    -11.78924668
  H     18.20668671      5.49625734    -13.43878192
  O     15.90627375      7.70614239    -15.04657342
  H     13.00888090     10.65267339    -10.44017868
  H     16.87935921      9.64661145     -9.57630308
  O     15.15848881      5.09003786    -11.56668017
  H     15.70590840      8.05453239    -14.16328697
  H     16.09228659     10.78427289    -10.27109538
  O     18.32139275      8.43748120     -9.82218540
  H     16.60589560      8.28648524    -15.37470808
  H     15.66370268      9.64787845    -12.33428903
  O     15.72464548     11.63414692    -14.77488609
  H     14.63882655      5.87268102    -11.33246442
  H     16.76732856      8.57594547    -12.51611752
  O     11.42383731      4.81274651    -13.63716068
  H     14.53089143      4.38267931    -11.75990777
  H     11.36164538      9.22121442    -13.08396817
  O     13.23391895      7.55756634    -15.58048752
  H     18.03172620      7.51950393     -9.97002320
  H     10.28470148     10.31142827    -13.28883766
  O     13.84812963      7.47017655    -11.11127111
  H     18.97722400      8.40899345     -9.12976802
  H     15.33803636      4.02508056    -14.78347478
  O     12.57733761      4.90530454    -16.26798633
  H     15.71214274     12.40527864    -15.33666637
  H     14.16349845      3.25212424    -14.15964139
  O     18.59551723      8.53832391    -12.63712943
  H     14.87664469     11.17646774    -14.91573328
  H     12.61251196     10.45365073    -14.44042875
  O     17.81523850      9.67020916    -15.21559013
  H     11.65114359      4.81360087    -14.57530887
  H     13.25908452      9.45678708    -15.41291649
  O     19.03668266      5.75516965    -13.00266638
  H     11.44391739      5.73909815    -13.36356320
  H     18.22569430      5.71992905    -11.25077428
  O     16.13866271     10.25398774     -9.46369749
  H     12.97919188      6.69814532    -15.93709962
  H     16.79120210      5.53825859    -10.72183618
  O     15.81014108      8.70749910    -12.50535440
  H     14.20059597      7.55749794    -15.50808641
  H     16.05096865      5.22851843    -13.15707405
  O     11.21512641     10.18125721    -13.12393575
  H     14.57033255      7.90500380    -11.59442766
  H     16.32995517      6.07169509    -14.44637614
  O     14.54549839      3.51944151    -15.00491385
  H     13.67506870      8.01479986    -10.33426168
  H     12.55209317      3.76614171    -12.81159375
  O     13.33184748     10.35805743    -15.07499304
  H     13.31556155      4.39162319    -15.89382906
  H     12.84734919      2.44860996    -12.05499968
  O     17.66159824      5.88247821    -10.48459857
  H     12.32903094      4.47702756    -17.08277654
  H     12.42488990      7.54440985    -13.94781182
  O     16.54428956      5.24398252    -13.99122835
  H     18.84644644      7.62320117    -12.82140187
  H     12.57868828      7.48667231    -12.38837105
  O     13.26507494      3.20847353    -12.45122158
  H     18.66474919      8.65221811    -11.68010140
  H     13.34284360      9.45346884     -8.17425822
  O     11.93605317      7.53746836    -13.11081599
  H     18.21113079      9.44937878    -14.36321422
  H     14.52592647      9.69063487     -9.14328374
  O     13.60228540      9.38245141     -9.08862527
  H     17.19066586     10.38796270    -15.04793481
  H     15.66798350     11.65627099    -12.89835991
  O     15.56170720     11.41098061    -11.97172726
  H     19.72985473      5.23099212    -13.39495611
  H     14.61994131     11.49150302    -11.74722808
          69
 Energy    -249.04711852410463     
  O     12.78616349      7.12263258    -15.20433221
  H     13.64986693      7.44717958    -14.91540174
  H     11.58423191      6.20321099     -8.86204043
  O     11.39917584      8.64470034    -10.96351578
  H     12.11582817      7.55802462    -14.66634738
  H     13.78974112      4.34643351    -12.65977160
  O     17.01783798      5.81349934    -10.61100703
  H     12.33783004      8.66648920    -11.19721024
  H     13.62074901      3.84621349    -14.11141902
  O     12.74602536      1.89739679    -11.62672821
  H     10.95445412      8.43546903    -11.79179135
  H     12.54283288      5.23912025    -10.81005850
  O     14.38440345      7.14689922     -7.67780444
  H     16.63404021      6.66002440    -10.33768640
  H     12.09354599      5.52446734    -12.25518722
  O     17.68436568      9.24307498    -13.92740808
  H     17.96612501      5.96557823    -10.70665065
  H     20.54033676      6.39675649    -11.11767334
  O     16.37399313      5.36821385    -13.28719498
  H     13.11707569      2.04087671    -10.74622818
  H     19.45759899      6.59319865    -12.20661108
  O     10.24557808      2.92717396    -11.59054007
  H     13.32344916      2.36139967    -12.24656454
  H     14.45190806      8.09615410    -12.59725493
  O     18.13627287      9.11529346    -11.25047216
  H     14.33380974      7.39296729     -6.75826533
  H     13.63571913      7.17152978    -11.66044711
  O     13.54947554      2.57416787     -8.98322386
  H     13.47347116      7.17522195     -8.02436227
  H     14.93735845      5.46794724     -8.35750380
  O     11.47303110      4.41590028     -9.46235362
  H     18.02006512     10.06361604    -14.27776360
  H     15.89457111      4.91864022     -9.43806644
  O     11.88907395      7.10063862     -8.68165283
  H     17.82304277      9.27235057    -12.96350069
  H     15.46156497      7.98010045     -8.96502273
  O     14.13351189      3.70736290    -13.30495998
  H     16.54231170      5.47818661    -12.33971842
  H     15.21925413      8.27273570    -10.46451370
  O     12.86157292      5.53994696    -11.66933927
  H     15.71939955      4.66560343    -13.37764866
  H     18.04695770      6.05411560    -13.81538756
  O     19.63028653      6.64685225    -11.24919723
  H      9.59437152      2.23472750    -11.51839622
  H     18.53446531      7.49796877    -14.03984516
  O     14.02310411      8.05702285    -11.73370701
  H     11.11713365      2.49316512    -11.64593611
  H      9.66146329      8.13528300    -13.99356820
  O     15.20992432      4.65956810     -8.80849153
  H     17.39036462      8.95796978    -10.65586707
  H     10.36424511      6.85748381    -13.48752923
  O     15.90752272      8.23494769     -9.78136151
  H     18.73686888      8.37004210    -11.12800123
  H     15.65036719      6.91267153    -13.91721563
  O     18.84304680      6.60256894    -13.85351682
  H     14.20250279      3.29633353     -8.92572974
  H     16.06217766      8.37840795    -14.20092871
  O     10.46283434      7.81932206    -13.58181299
  H     13.74951456      1.96799991     -8.27532398
  H     12.58196377      5.43069272    -15.41788841
  O     15.30535091      7.78022216    -14.17747052
  H     12.12351830      3.76376341     -9.16821241
  H     12.33290701      4.19577504    -16.32141686
  O     12.39943251      4.47186319    -15.41170721
  H     10.89746869      3.96023547    -10.08795110
  H     10.36836044      4.32453558    -12.78064971
  O     10.60356209      5.07958870    -13.33552078
  H     11.61397525      7.65182667     -9.42800720
  H     11.11196167      4.74754218    -14.08837042
          69
 Energy    -249.04635712139589     
  O     17.21132739      8.78418216    -14.11103653
  H     17.19498310      9.24683090    -14.96691686
  H     18.03713595     10.53528064    -16.82608461
  O     17.40295969     15.08818738    -16.26001158
  H     16.82186257      7.92597366    -14.25855015
  H     18.04269392     10.26325210     -9.02662360
  O     21.76294285     10.47796478    -15.68373893
  H     18.17390181     14.93238905    -16.81877587
  H     17.78612061     10.65997825    -10.49953134
  O     19.37447230     13.37896953    -10.12312201
  H     17.73733735     15.53225413    -15.46964077
  H     19.52741779     18.51396909    -11.54519781
  O     15.31083075     12.80899520    -12.88562216
  H     21.21339724      9.98180702    -15.06043343
  H     19.94755694     17.07345541    -11.16633054
  O     20.77668368     10.13690202    -11.22393003
  H     22.06225916     11.24792427    -15.18460198
  H     21.01298628     12.99863257    -10.85715519
  O     16.72537413     10.51052530    -11.88254198
  H     19.05101471     12.52344682     -9.81724487
  H     22.42721199     13.56389898    -11.10694841
  O     19.64621443     11.73236154    -16.89539631
  H     18.81981551     13.61209377    -10.88371936
  H     20.07899744     14.50989923    -18.53562368
  O     21.09486693     15.24751221    -15.20206619
  H     14.40150236     13.09209853    -12.84096476
  H     19.80578102     13.41976386    -17.47527317
  O     20.50695446     15.95216522     -9.95210113
  H     15.55250446     12.77599883    -13.82766073
  H     21.42333428     17.20548049    -12.75494072
  O     21.69323671     12.83977303    -14.02979317
  H     21.31622771     10.93675267    -11.19358376
  H     21.94487870     16.33114937    -13.91168394
  O     17.20772461     10.22806400    -16.44174453
  H     20.02593559     10.29322709    -10.63780604
  H     19.55178773     15.71190788    -14.33916532
  O     18.40563010     10.76024094     -9.75502598
  H     16.15967050     11.23038720    -12.18403831
  H     18.96468866     16.64590313    -13.25121731
  O     19.73704558     17.66062405    -11.91477722
  H     16.83093569      9.90778603    -12.62860841
  H     22.86751709     15.80123875    -11.76906456
  O     21.87176033     12.78739693    -11.25137636
  H     19.30599158     11.95598598    -16.01742068
  H     23.98323495     15.58797552    -10.71950893
  O     19.85531794     14.37994914    -17.61725724
  H     20.45494796     11.23040815    -16.71317523
  H     20.22183218      9.65351875    -12.82424020
  O     22.21090065     16.75744385    -13.08689675
  H     21.42158381     14.41882454    -14.81894258
  H     19.06896421      9.09985647    -13.75024303
  O     18.72776777     15.97228672    -13.90150596
  H     20.78298555     15.04071738    -16.09045947
  H     18.65002657     12.63046852    -13.43433406
  O     23.11229923     15.29509656    -10.97388849
  H     21.43163880     15.75126001    -10.14289704
  H     19.20055649     11.23048948    -13.93648783
  O     19.89988211      9.58650075    -13.73733613
  H     20.06634979     15.09875607     -9.84738739
  H     16.62896737     13.55927461    -15.76615282
  O     18.94955757     12.12768501    -14.20297769
  H     20.76585503     12.58852995    -14.13489795
  H     17.26826559     12.41246958    -14.96194306
  O     16.43349863     12.70205119    -15.35796108
  H     21.86291988     12.80638648    -13.07890538
  H     18.08937613     14.64411625    -12.89243874
  O     17.87577144     13.87207974    -12.34766069
  H     16.70177523     11.03137093    -16.26013726
  H     16.93796615     13.66882033    -12.44101820
          69
 Energy    -249.04620918075085     
  O     16.90327673      9.23083972    -15.77326471
  H     17.03155993     10.14148928    -16.06631328
  H     16.37075193      3.14875355    -13.38714286
  O     17.41890232     11.96480966    -16.13112922
  H     15.98521962      8.97069913    -15.93571747
  H     15.19564959      8.18829084    -10.89241632
  O     14.31024707      8.30124788    -15.99736714
  H     17.79163751     12.50848833    -16.81934507
  H     15.54717431      8.58953404    -12.33602135
  O     18.70278366      7.42470010    -14.83214917
  H     18.06138981     11.95299396    -15.39681198
  H     17.95399034      5.94267123    -15.81785406
  O     20.40262862      9.27185108    -13.71612732
  H     13.97101031      8.01144201    -15.13813344
  H     17.15252028      4.72570190    -15.32270279
  O     17.53834060      6.37744221    -12.52435484
  H     14.45178328      7.50040348    -16.51818148
  H     18.06120695     11.92039649    -11.10919126
  O     12.03780277      9.96394667    -12.80672395
  H     18.29109351      7.07287945    -14.02814220
  H     18.72839505     13.29113502    -10.84222509
  O     15.33856843     13.03161451    -11.83157284
  H     18.07537367      8.04464324    -15.23732090
  H     14.80961185      5.41304856    -18.00479125
  O     13.10735814     10.79150427    -15.35668922
  H     21.31031974      9.13628042    -13.97886146
  H     15.82065684      5.63756461    -16.85516875
  O     15.16157356     12.35843795    -14.46965848
  H     19.87671558      8.60042300    -14.18273182
  H     16.54704538      9.67022371    -14.01384512
  O     13.41931004     11.40938999    -10.83015907
  H     17.23886514      5.50890799    -12.81913036
  H     15.74314860     10.84474980    -13.44682760
  O     16.43783110      4.05436178    -13.67749771
  H     16.75127609      6.83808441    -12.19873992
  H     18.84176262     12.18608488    -13.17771674
  O     15.30774178      7.82896136    -11.78283850
  H     11.11460448     10.11015646    -12.61022350
  H     19.55700483     10.98366811    -13.85503507
  O     17.35746028      5.24387488    -16.11166326
  H     12.54117255     10.43640841    -12.12557548
  H     17.12021852     10.20447769    -11.64785755
  O     18.20187904     12.81144927    -11.47674315
  H     15.23326652     12.98355201    -12.79412919
  H     18.25342193      9.54529331    -10.82128877
  O     14.91141544      5.82392086    -17.15063859
  H     16.28721981     13.07056701    -11.67033083
  H     13.95408685      7.46987843    -12.86158849
  O     16.16396399     10.01393757    -13.19742902
  H     12.66709543     10.53721050    -14.53651384
  H     12.69694104      8.23665615    -13.29683161
  O     19.09701692     11.81373648    -14.02996531
  H     13.45353698      9.97413370    -15.73779208
  H     18.82124151      7.45491063    -11.58616676
  O     17.60737980     10.26629694    -10.81238086
  H     15.88119269     12.33997740    -15.11094901
  H     19.81190368      8.55539310    -12.02066808
  O     13.24889903      7.48105117    -13.52753875
  H     14.40382174     11.89890002    -14.86214528
  H     14.55662721     10.10764157     -9.93161697
  O     19.34408130      8.19733413    -11.25622530
  H     12.95502239     11.90553576    -10.15942936
  H     16.05601011      9.78659286     -9.79941152
  O     15.17403433      9.45695560     -9.57702070
  H     14.11550592     11.99986976    -11.16990300
  H     14.18464376      5.17905540    -15.47930324
  O     14.02552505      4.95909881    -14.55305926
  H     15.53814402      4.34023136    -13.91752097
  H     13.61039744      5.73834706    -14.16179173
          69
 Energy    -249.04603493014451     
  O     13.61357119      4.82479684    -16.11865736
  H     13.44757189      5.77459548    -16.20270980
  H     17.47176221      7.61953932    -16.50025527
  O     18.30629179      6.23082795    -12.16565202
  H     13.76513640      4.67179284    -15.17751724
  H     15.34765106      7.14209103    -15.67529495
  O     16.21147078      6.87005956    -18.91712871
  H     19.15986233      6.26384541    -12.61840566
  H     16.39048267      7.45459052    -14.56029540
  O     14.68255829      6.06661875     -9.81978791
  H     17.83236341      7.03983960    -12.39601421
  H     13.65910819      8.60057246    -13.31719540
  O     14.28387944      4.66364038    -13.36493928
  H     15.99134633      5.96882598    -18.64918613
  H     14.16591197      9.83932879    -14.09088254
  O     16.79325488      8.47626876    -13.03578786
  H     17.03496901      7.10481940    -18.47636857
  H     16.78588219      3.58317757    -10.28529609
  O     17.33491953      4.49879256    -15.99029239
  H     15.60834305      5.84292519     -9.66535978
  H     16.63160810      3.05757635    -11.71792317
  O     13.71575436      3.54542480    -10.82194536
  H     14.24528464      5.23401096    -10.04070530
  H     13.44589917      8.20207554    -15.49890377
  O     19.29740517      8.81774039    -14.50504496
  H     15.21888641      4.41540027    -13.38840749
  H     13.79766446      8.10893608    -17.02353568
  O     15.43659165      4.25357072    -18.02882227
  H     13.91738016      4.25263219    -12.57193905
  H     21.54626619      6.71823131    -13.51137131
  O     19.80521954      5.77880241    -16.38750649
  H     16.51891166      9.33122421    -13.39842131
  H     20.26304297      7.44266720    -13.98819695
  O     18.21898779      7.91674015    -17.04602437
  H     15.99305094      8.06719561    -12.66538506
  H     17.47478494      4.74352220    -12.94379179
  O     16.24995740      6.96458835    -15.37681798
  H     16.79846521      4.21014950    -16.73777294
  H     17.20283378      3.96200590    -14.25647332
  O     13.43410014      9.21462953    -14.02948572
  H     16.94504721      5.34364892    -15.71234662
  H     17.82874271      5.64663846    -10.51424168
  O     16.35654939      2.89239596    -10.80507120
  H     13.14539448      2.86670837    -10.47166623
  H     18.10472152      5.48111560     -9.00403356
  O     13.65925341      7.59266070    -16.22107056
  H     14.62654195      3.20288951    -10.77403743
  H     15.07025912      8.17637439    -18.78022318
  O     20.62035551      6.58398797    -13.69771229
  H     19.00872680      8.66564726    -15.41338404
  H     14.05637775      9.19032332    -19.36808295
  O     17.00958406      3.97985047    -13.30953976
  H     18.49540698      8.84167757    -13.97150101
  H     14.38125578      6.42704748    -12.77995896
  O     17.46445068      5.29423149     -9.68654024
  H     14.74278900      4.41214924    -17.36197206
  H     14.50968329      6.98792949    -11.34854235
  O     14.48497294      8.92404703    -18.55941873
  H     15.11673648      3.56069174    -18.60001976
  H     15.99993412     11.66749685    -14.19488967
  O     14.50701832      7.24569706    -12.28151420
  H     20.17005709      5.89404126    -15.50350523
  H     16.08973971     10.56383928    -15.27554268
  O     15.89034668     10.73095346    -14.33712813
  H     19.04791799      5.18459192    -16.28559369
  H     15.73928052      9.86899315    -17.50396878
  O     16.45810188     10.15608601    -16.92648196
  H     18.89323152      7.22418382    -16.96927598
  H     17.19129568      9.55586595    -17.10723509
          69
 Energy    -249.04600853383778     
  O     11.80789252     10.29775474    -11.09083197
  H     12.38566869     10.85573567    -11.62470658
  H     17.81207270      5.12002885    -16.53835480
  O     13.59981947      7.36061048    -14.68466711
  H     11.09415474     10.01717072    -11.67708781
  H     16.25047273     11.58433822    -15.09099933
  O     17.35407473      8.52656101    -17.23177224
  H     14.41685092      7.79883647    -14.40324158
  H     15.87600635     13.07414149    -15.26366747
  O     12.15666511      9.69127387    -14.64011196
  H     13.79235572      6.91248774    -15.51998810
  H     15.73453013      8.93406998    -12.91342146
  O     15.61612844      6.61911712     -9.66612417
  H     16.52144567      8.62350992    -17.71197468
  H     16.43463307      9.11593173    -14.29122421
  O     12.94229353      6.11651340    -12.35283675
  H     17.38623875      7.60976484    -16.93384611
  H     18.56518475      7.92303014    -11.45199711
  O     15.33331737      9.79549643    -11.37822302
  H     12.59189458      8.82636731    -14.68941347
  H     18.48501919      6.93892277    -12.63953347
  O     14.78209484      8.77920386    -18.39593266
  H     11.32244361      9.56056766    -14.17559669
  H      9.82138342      6.02662829    -11.55782533
  O     15.34472153      4.77833262    -11.62409103
  H     16.34032753      7.25513681     -9.70306142
  H     11.16178013      6.34390389    -12.23797649
  O     17.44829053     10.31700187    -15.19539570
  H     14.80016038      7.13707451     -9.70826492
  H     20.65129848      9.78227329    -13.88990645
  O     14.47458362      6.29750489    -17.03755930
  H     13.68579426      5.54393036    -12.13370153
  H     19.52213310      8.99073069    -13.21115897
  O     17.20934817      5.81228012    -16.27750811
  H     13.13611212      6.50785151    -13.21915862
  H     16.65029703      6.91274900    -13.58702299
  O     15.51440880     12.21954677    -15.04326817
  H     14.66812638      9.20796139    -10.98933684
  H     16.48985018      5.51619565    -12.92689468
  O     15.90967457      8.50419139    -13.75979541
  H     14.84671008     10.45720700    -11.88850563
  H     16.80356811      9.22369477    -10.54486927
  O     19.05290911      7.59479127    -12.21795438
  H     14.40235278      9.46012024    -17.81266647
  H     17.88701000      9.31071554     -9.44730852
  O     10.23501754      6.62453275    -12.17564250
  H     14.52883240      9.01074771    -19.28547240
  H     14.35121899     11.25609641    -16.23543136
  O     19.70748507      9.77497397    -13.75417355
  H     15.49318950      5.39164232    -10.88099405
  H     13.09337705     10.37776719    -16.09749065
  O     17.04350686      6.02658807    -13.52913768
  H     15.44291988      3.89589026    -11.27588349
  H     12.72938069      8.85284082    -10.51112181
  O     17.50482628      8.72292868    -10.09482517
  H     18.27552453     10.20830619    -14.70433114
  H     13.14433576      7.46131045    -11.07426128
  O     13.77218602     10.66056866    -16.72443931
  H     17.48534425      9.74666992    -15.97924594
  H     14.33592363     11.78157526    -13.63316726
  O     13.35687297      8.12277624    -10.40240535
  H     14.53425488      7.09150813    -17.58561390
  H     13.18634741     10.76048685    -13.56544200
  O     13.73568021     11.34181127    -13.01851411
  H     15.38359556      6.03501954    -16.84654773
  H      9.98605188      8.28676719    -12.70499319
  O      9.92815689      9.21950390    -12.97470358
  H     17.19441714      5.81424615    -15.30667505
  H      9.00309337      9.41314256    -13.10242318
          69
 Energy    -249.04589576839572     
  O     17.95491091      8.74473529    -14.57178154
  H     18.13730046      9.61986126    -14.93437047
  H     12.02482803     11.00106777    -11.23294396
  O     18.39337441     11.41786333    -15.23949740
  H     17.26381378      8.85843958    -13.89846268
  H     18.51724350      3.12255203    -10.67316135
  O     12.51070567      7.64576675    -11.95950802
  H     18.66811672     11.63449090    -14.32901501
  H     17.76167804      3.64068092    -11.91955883
  O     16.44597814      6.67511377    -15.60976316
  H     18.98666611     11.87967492    -15.82575757
  H     15.02390627      5.99130300    -12.34438640
  O     19.53782855      7.76050933    -12.53165776
  H     12.53494868      8.59725516    -11.80505739
  H     15.95864413      6.50620197    -11.20460335
  O     19.85897133      9.91402176    -10.89734309
  H     13.35290334      7.29501283    -11.63815937
  H     19.56007706      4.65363994    -12.51335636
  O     17.71103682      6.59483334    -10.67662173
  H     17.05252514      7.36937818    -15.31615870
  H     19.49119508      4.97369278    -14.02072851
  O     12.28598611      6.32091132    -14.31045633
  H     15.61797537      7.12698900    -15.83556416
  H     16.36112338     14.02017595    -11.73453502
  O     15.82568864     12.44692454    -14.42719225
  H     19.06636186      8.10915962    -13.30101487
  H     16.17421607     12.90266592    -12.78816830
  O     14.05575122      7.99520754    -15.81199320
  H     19.84659247      6.87413374    -12.76945494
  H     17.63650750      5.32299082    -15.60794486
  O     14.10609621     10.26727624    -14.08966234
  H     20.67982062      9.88565005    -10.41248212
  H     18.54368232      4.31991652    -16.34937832
  O     12.71613257     10.47030599    -11.61989548
  H     19.84660451      9.13174371    -11.47671454
  H     15.63984120      8.13933786    -12.39646808
  O     18.35071881      3.90602117    -11.19018790
  H     17.93207926      5.65464378    -10.69570067
  H     16.41550814      9.33770804    -11.82033081
  O     15.08351535      6.60741822    -11.60057863
  H     18.28854615      7.01292657    -11.33050624
  H     18.16114580     12.34528152    -12.24759669
  O     19.98723100      5.16155619    -13.21401488
  H     11.39521714      6.01179575    -14.44890807
  H     19.30055496     11.31540351    -12.01839075
  O     16.44998458     13.08006087    -11.87022759
  H     12.28481281      6.82042663    -13.47368123
  H     13.89270171      5.38310316    -14.10349833
  O     18.28472374      4.61130707    -15.47837454
  H     15.16105028     11.74467842    -14.44549489
  H     15.37148167      5.64532263    -14.49892673
  O     16.06004166      8.97583303    -12.63988063
  H     16.61290059     12.09640576    -14.85997676
  H     18.11456003      9.66469157    -10.21913955
  O     18.94747452     11.95385594    -12.64866168
  H     13.36410831      7.45241236    -15.41406616
  H     17.27884464      8.38738513    -10.02913576
  O     14.80275470      5.11889335    -13.91873827
  H     14.01798817      8.84124098    -15.34773863
  H     15.51694253     11.84175275    -10.82741954
  O     17.21461031      9.35036025    -10.06394533
  H     14.83112127      9.83071704    -13.61492282
  H     15.72342481     10.53747612    -10.03248325
  O     15.04476543     11.14173492    -10.35722347
  H     13.44244098     10.43037008    -13.40943245
  H     17.38807674      3.57892175    -14.13007249
  O     16.85519136      3.31758682    -13.36865857
  H     13.53305269     10.68646291    -11.13647307
  H     16.01435935      3.77951873    -13.48778550
          69
 Energy    -249.04557905263667     
  O     10.70830775      9.18228411     -8.63033131
  H     10.59106663      9.82199874     -9.35334825
  H     13.56758779     12.11624231    -13.67676573
  O     13.77531815      9.06145593    -16.78203043
  H      9.85985128      9.09448208     -8.20229249
  H     16.98648770      9.55043127    -11.77558157
  O     11.73283326      7.34656274    -10.65984363
  H     13.35764726      9.93834228    -16.70375095
  H     16.92611058     10.57130069    -10.61823542
  O     14.42929192      8.51131657    -14.12986574
  H     14.20899119      9.03865980    -17.63063921
  H     15.71339070      7.95394671    -13.01352169
  O     12.44212503     11.40790250    -16.47322955
  H     12.68231387      7.34549030    -10.47217066
  H     16.91257199      7.05354174    -12.63952856
  O     11.83167015      8.28542347    -13.24870026
  H     11.32838659      7.84091091     -9.93910052
  H     12.50668456     15.58181605    -12.09157359
  O     15.30400231      8.37427068     -7.63235563
  H     14.32497966      8.63129798    -15.08229418
  H     12.31498446     14.28370888    -11.27136384
  O     13.46606871     10.38521249    -10.82246338
  H     13.54103339      8.37778696    -13.76434512
  H     14.82520639      7.90558512     -9.34526394
  O     13.14119329      9.97258457     -7.32579520
  H     11.50747810     11.16675908    -16.45720191
  H     15.17479756      7.71684901    -10.85997701
  O     15.20657108     13.94124652    -10.67592840
  H     12.59121965     11.94928262    -15.68721837
  H     11.34212285     11.47812764    -13.61616156
  O     10.78043157     10.91359808    -10.73372121
  H     11.41953427      9.15874909    -13.25059357
  H     10.19296304     10.71534413    -14.32707110
  O     12.75887582     12.59128418    -13.92281793
  H     11.71434148      7.90554898    -12.36646789
  H     13.85741255     11.54166210     -9.52614827
  O     17.01976602     10.49379058    -11.57922770
  H     15.52728573      7.90964253     -6.83077339
  H     14.51888010     12.92172386     -9.34216442
  O     16.35398580      7.75327578    -12.31002764
  H     14.51313619      8.91039053     -7.43822708
  H     15.71038643     10.99645798    -12.62315739
  O     12.79190701     14.67392664    -12.02590478
  H     13.94183365     10.66673718    -11.61337892
  H     14.75171468     10.22689135    -13.57478441
  O     14.45031941      7.82494411    -10.23207822
  H     13.77511411      9.49822599    -10.59810625
  H     10.22441295      9.42394298    -16.12308855
  O     10.62269407     10.84546524    -13.47354854
  H     12.30139366      9.71513002     -7.72647586
  H      9.01126443     10.24487083    -16.62575199
  O     14.05750257     12.21969654     -8.85890052
  H     13.35991483     10.85019529     -7.66216920
  H     15.81065747     11.28324600     -8.69729466
  O     14.88653318     11.07434082    -13.12907203
  H     14.47897393     14.24442711    -11.23635854
  H     16.27278648      9.85684061     -8.38654157
  O      9.81337133     10.30736170    -16.11505914
  H     15.88671170     13.62345626    -11.26821336
  H     11.17460480     12.64352418    -10.15598395
  O     16.53391606     10.66429598     -8.84504845
  H     11.72829609     10.70069337    -10.77405807
  H     12.37456261     13.14767857     -9.34010985
  O     11.64288428     13.44716533     -9.89225787
  H     10.47815923     10.90915517    -11.65055633
  H     12.07795860      8.18309050    -16.35347500
  O     11.21422650      7.98250017    -15.97364757
  H     12.72375630     13.37683910    -13.36486613
  H     11.36316699      7.88870629    -15.02185750
          69
 Energy    -249.04557361588769     
  O      1.70486743     -0.70552623      4.78889238
  H      1.26161666      0.15977844      4.85675251
  H     -2.31122961      4.41619359      0.61441077
  O      1.78005199     -1.51145416     -2.55180921
  H      2.48016802     -0.65943124      5.34220420
  H     -2.59139318      0.59321350      5.65759314
  O     -0.71755409     -2.08238448      5.37466738
  H      1.82334191     -2.04330452     -3.34174012
  H     -2.06240445     -0.88171640      5.50589654
  O     -0.49521224     -0.25911727     -1.27529738
  H      1.72919841     -2.12872461     -1.79898818
  H      0.36833471      1.68194614      1.65561388
  O      1.43664476     -3.10872837     -0.38100576
  H      0.14819223     -1.66455681      5.28145750
  H     -0.80540732      2.72199324      1.80063757
  O     -3.60851682      2.86971372      3.48778335
  H     -0.89901891     -2.49018657      4.52096111
  H     -3.22842347      1.07039091     -0.39292952
  O     -4.00037223     -3.55721220      2.74202082
  H      0.05121545      0.05987033     -0.54135588
  H     -1.87867197      1.02200395     -1.13681813
  O      0.40220652      1.65834769      4.91364052
  H      0.13126383     -0.59192748     -1.92722305
  H     -2.31855335     -0.00821306      3.54861344
  O      3.27934776      0.41002157     -1.17419355
  H      1.63415174     -2.77783496      0.50273278
  H     -1.38099641      0.72912601      2.54384349
  O     -5.77726753      1.07895039      2.86792676
  H      0.47423917     -3.20134236     -0.41128637
  H     -1.38247633     -2.72440986      0.66435538
  O     -5.08090468     -1.22684223      4.09741126
  H     -4.36476650      2.30820863      3.27766971
  H     -1.17437466     -1.86293945     -0.61743601
  O     -2.25691421      3.55286441      1.01528343
  H     -3.20802900      3.12073729      2.64738202
  H      0.46646439     -2.24508919      2.35237920
  O     -2.80196582     -0.28482585      5.31887308
  H     -4.39704307     -4.41639034      2.85977432
  H      1.58813165     -1.49584553      3.10001323
  O     -0.21295095      2.13453960      2.28450426
  H     -4.15770470     -3.29609214      1.81605756
  H     -2.70584410      2.63121061      4.96972929
  O     -2.57525946      1.62281987     -0.84595848
  H      0.28572023      1.93083679      3.99099521
  H     -2.49653120      3.04323515      6.44536090
  O     -1.98945883     -0.01319251      2.63922719
  H     -0.40846123      1.93237882      5.35570614
  H      1.36246628     -0.32159303      1.23708818
  O     -1.37560319     -2.75610009     -0.30140502
  H      2.84904688     -0.23148020     -1.76033801
  H      2.06091710      0.55003675      0.13851927
  O      1.34414212     -1.85745356      2.23720045
  H      4.21183521      0.36708219     -1.37048143
  H     -1.54636287     -1.68343239      2.57168055
  O     -2.22290477      2.41043805      5.78691199
  H     -5.59387309      0.24075734      3.33111735
  H     -2.21175335     -3.08182428      2.69309472
  O      1.28817711      0.49061164      0.71760404
  H     -6.70921555      1.25105858      2.97052897
  H     -4.26668918     -1.70278040      0.32384251
  O     -1.36233064     -2.63891717      2.56391706
  H     -4.34365804     -0.94184982      4.65819373
  H     -3.30859618     -2.79298561     -0.19712905
  O     -4.17682702     -2.65905108      0.20258176
  H     -4.78767862     -2.03534678      3.66409060
  H     -3.35398609      0.01790405      1.43976097
  O     -4.12110783      0.06192451      0.84855554
  H     -2.38053288      2.90355378      0.29956965
  H     -4.82917672      0.44594831      1.37885391
          69
 Energy    -249.04526092043159     
  O     20.00434120     10.84767352    -10.38376759
  H     19.72348896     10.55604031     -9.50647473
  H     18.99376165     11.24444289    -11.85607267
  O     18.43121560      6.55141911     -9.76187111
  H     20.95944221     10.98440422    -10.34200277
  H     22.60811526     10.00172801     -9.61588590
  O     19.56965975      3.83375772    -12.14293171
  H     18.99830997      7.07167958    -10.35215721
  H     23.47091430     11.27941655     -9.75958706
  O     20.93782764      5.60577140    -13.98135870
  H     17.81576071      7.18550454     -9.37788703
  H     19.43019655      7.96853818    -13.11389721
  O     22.00960420      8.69291673     -8.63154387
  H     20.00091350      4.38666925    -12.80412933
  H     19.68825254      8.68589518    -14.44754221
  O     17.05411042      5.08879289    -11.65546798
  H     18.65150964      4.13197354    -12.09608734
  H     20.23428685      4.21073708    -10.47692612
  O     22.42684506      7.11176722    -12.09232517
  H     20.35156616      6.36501607    -14.13489294
  H     19.71580714      5.23558700     -9.45997727
  O     14.41567664      7.56323797     -9.22056080
  H     21.17474120      5.26251883    -14.83988430
  H     13.75106959      7.85545523    -12.47945664
  O     22.69756480      6.06473422     -9.50971729
  H     22.18756432      7.77085916     -8.85398856
  H     14.83841842      7.10921951    -13.27868045
  O     19.92590625      8.17473857    -11.39836708
  H     21.08146345      8.76075569     -8.38317630
  H     16.60938360      8.69629613    -12.29769895
  O     19.25620350      9.59387118     -7.98731229
  H     17.51606394      5.55012691    -10.93881094
  H     17.14823527     10.14750696    -12.11108709
  O     18.46675677     11.19802699    -12.66707521
  H     16.14205310      4.97023736    -11.36347183
  H     16.87517334      6.44147368    -12.84551246
  O     22.80001889     10.76143028    -10.19573531
  H     22.04821380      6.46101855    -12.69723078
  H     17.55432465      7.42423788    -13.83850313
  O     19.35114508      7.86176488    -14.07588534
  H     22.63066988      6.67182093    -11.25657976
  H     22.66746393      8.84713945    -12.70290359
  O     20.45189093      4.63447619     -9.63406399
  H     14.05570812      8.19095672     -9.86064080
  H     22.74109510     10.22020555    -12.02218598
  O     13.94880311      7.01464054    -12.91099993
  H     14.39397840      6.70493733     -9.66020198
  H     16.01693558      8.33367315     -8.92049399
  O     16.53628475      9.49006901    -11.75048850
  H     21.90283343      5.49917537     -9.51886692
  H     16.85226767      9.07498188     -9.98284024
  O     16.72282400      7.22785688    -13.39086699
  H     23.38711778      5.56460206     -9.08205638
  H     14.77070387      9.55642718    -11.50339495
  O     22.57877295      9.79510968    -12.87244983
  H     20.83459073      7.87828996    -11.54278104
  H     13.39387240     10.25400474    -11.42010562
  O     16.87685273      8.75268771     -9.07008115
  H     19.95881079      9.09652654    -11.11680858
  H     20.82661433     10.89722092    -15.27289357
  O     13.82132467      9.40411635    -11.35549265
  H     19.13042338      9.91192792     -7.09626746
  H     21.26991108     10.20097972    -13.96544155
  O     20.50789422     10.36331784    -14.55016995
  H     18.38528501      9.28918421     -8.29315678
  H     14.11218629      5.79358630    -11.65600714
  O     14.32974382      5.20660272    -10.90957045
  H     19.09191243     10.98975349    -13.36994450
  H     13.65255492      4.53565129    -10.88055900
          69
 Energy    -249.04497128825940     
  O      5.74346313      2.54570955      1.99310441
  H      5.24179681      2.29912563      1.20847163
  H      1.61515307     -2.79457217      1.85247404
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  H      5.89394893      1.72768510      2.48377852
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  H      4.28675765      0.43155607      4.21975378
  H      0.49062497      0.09480841      3.46977222
  O     -1.05703726      6.32903029      1.89419152
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  H      2.33601520      0.32381250     -0.38797493
  O      2.35317047      2.06334651      2.32570923
  H      0.80963364      3.16930476      6.29302508
  H      1.51514509     -0.80855144      0.25184526
  O     -1.54892969      3.13056495      3.96223207
  H      1.07183306      4.26344584      7.35208481
  H     -2.35229542      4.87550954      1.66479535
  O     -0.27391279      1.29803683      2.32701997
  H     -0.61631434      6.04619584      2.71196329
  H     -2.30702384      3.49399623      0.99418772
  O      5.88347625      0.02734582      3.34405492
  H     -1.28932684      7.24689938      2.01424889
  H      0.13683271      5.49596085      0.59947732
  O      5.10669823      4.72478074      3.48949292
  H      2.76382307      1.62888607      3.08479790
  H      1.51203659      4.90085948      0.92011965
  O      0.35551674      5.23592740      4.04117858
  H      1.42533357      1.79655333      2.28882347
  H      0.60343608      0.68782576     -1.64862986
  O      2.53722489      4.75996596      2.41728507
  H     -0.90911361      3.85357046      4.01029892
  H     -0.08557097      0.89389039     -3.02070712
  O      1.87024816     -1.87487710      1.82547154
  H     -2.16450700      3.37130810      3.25421593
  H      3.41770397      2.16183877     -0.59498029
  O      0.96462042     -0.49052159      4.08112950
  H     -0.73874775      1.89132846      2.93390849
  H      3.27497248      1.72299679      0.88559042
  O      1.54927214     -0.22105289     -0.51060098
  H     -0.51067140      1.59406359      1.43815435
  H     -0.75291105      2.07551002      5.30099141
  O     -2.77807329      4.00952126      1.66291038
  H      6.63655328     -0.50082740      3.59358688
  H      0.19924923      0.86775476      5.47516651
  O      0.81203161      4.90172807      0.25106347
  H      5.46026371     -0.41753282      2.58670694
  H      2.99425094      3.61841389      5.87554175
  O      0.16424895      1.34493849     -2.21928241
  H      5.86656422      5.29581326      3.56232815
  H      4.24026898      3.81338082      4.96374467
  O      3.77126886      1.55032712      0.06754963
  H      5.37972904      3.96394506      2.94536477
  H      1.83933108      3.90320248     -1.08209937
  O     -0.06116045      1.70541186      5.86836343
  H      1.13925987      5.10902340      3.48534988
  H      1.59272297      2.65665948     -1.94810792
  O      3.82176294      3.21235895      5.59100963
  H      0.62170897      4.98176531      4.93378103
  H     -0.28394463      3.41023419      0.07824988
  O      2.29155182      3.20293421     -1.56796329
  H      3.42458077      4.95655671      2.73742667
  H     -0.68596973      2.21952831     -0.82711837
  O     -0.90065213      2.66866183     -0.00079486
  H      2.47085431      3.79111819      2.40188962
  H      3.65484420     -1.31858048      1.42087187
  O      4.52242775     -0.93717575      1.23788824
  H      1.54463066     -1.47720535      2.64752348
  H      4.37015393     -0.16300624      0.68064390
          69
 Energy    -249.04495740557257     
  O     16.58451190     12.17183794    -14.46616174
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  H     12.10787213      9.03338319    -16.01895237
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  H     15.91376830     11.91123963    -15.11609718
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  H     14.04463221      7.87671886    -14.07374914
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  H     16.41201807      5.91086427    -12.42664173
  H     15.13951000      9.56011219    -15.26785522
  O     15.91573042      8.10886626     -8.83246562
  H     17.46671486      6.02774268    -11.31107879
  H     15.71774655     12.32829474    -12.97289893
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  H     18.86708755      9.12854659    -17.94459271
  H     15.23372255     13.24961181    -11.82782855
  O     17.44688008      8.79141105    -13.04434314
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  H     15.51931590      5.08702060     -9.87946069
  O     14.06156673      7.44925079    -18.15484143
  H     12.19557817     10.91675185    -14.53594149
  H     14.58580467      4.89546560    -11.09612883
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  H     13.50879577     11.56911716    -12.66809747
  O     16.39178777      6.95332693    -16.69547419
  H     14.98941495      7.84259815     -8.78017399
  H     12.73563655     10.28696403    -12.30859895
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  H     15.95467095      8.80855223     -9.49821283
  H     14.18366701      5.84240155    -13.21356563
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  H     15.29984863      4.85226308    -13.66457203
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  H     16.85434104      6.67923793     -9.19897248
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  H     16.67509470      8.81890395    -13.63445324
  H     17.84063317      5.57327182     -8.75302224
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  H     13.41020534      7.67605310    -17.46663463
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  H     15.64718179     10.78014570    -11.29956354
  O     17.27427889      5.84310255     -9.47048766
  H     13.66179704      6.26864084     -9.46370559
  H     16.47257530      9.52199724    -11.66598797
  O     15.48686975      9.90855148    -18.46523635
  H     12.61016084      6.76982767     -8.44482189
  H     19.60736904     10.55407737    -14.62392295
  O     15.83971133      9.87443557    -11.02611737
  H     15.61625685      7.00403567    -17.27216149
  H     18.37991487      9.71216503    -14.20842056
  O     18.75465382     10.25115843    -14.92733000
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  H     13.72537394     11.10871697    -16.03212798
  O     14.68325152     11.10954125    -16.14686491
  H     12.49269137      7.71679285    -15.32753909
  H     14.88971096     10.80188291    -17.04163038
          69
 Energy    -249.04480097036446     
  O     12.45199548     11.25843733    -15.21343633
  H     12.67871303     10.39331741    -15.58473468
  H     19.25689204      7.91349860    -13.23600760
  O     15.21991542      6.49232457    -13.01169835
  H     11.93055878     11.08297517    -14.42255797
  H     15.73675818     11.48021978    -16.64711941
  O     17.41287038     10.23656517    -11.41572424
  H     15.42806386      7.30526239    -13.49926963
  H     16.91802862     10.47977781    -16.70748598
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  H     15.98761798      6.26867989    -12.47385318
  H     14.78343123      8.78641653    -15.04837540
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  H     16.74200026     10.70288450    -11.93420134
  H     16.33887621      8.96398695    -14.91698201
  O     14.92601226     10.52695885     -8.98756404
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  H     11.89550813     10.61224031    -12.19136108
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  H     18.49685208      9.68913231    -14.82508025
  H     10.41348109     11.03292188    -12.31806104
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  H     18.30433951      8.58114481    -15.89232026
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  H     16.58593981      7.43682152    -10.32097759
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  H     11.90780597      7.55464001    -12.33027947
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  H     15.35708101      9.67539462     -9.15692168
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  H     20.15800154     10.30037586    -12.95189160
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  O     11.11592957     10.57430524    -12.77245609
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  H     18.07941981      6.39222901    -12.00359184
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  H     15.40741210      9.53924099    -18.04555682
  O     11.27593216      7.72714002    -13.03906699
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  H     14.85283751      8.89007561    -19.33739535
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  H     15.77934964      7.20341711    -17.60995257
  H     13.82014312     10.61095090    -10.45254772
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  H     14.09622322     10.84438971    -11.96336245
  O     14.94987681      8.75427857    -18.39901909
  H     19.28241227      6.34992484    -16.70295432
  H     13.89184225     12.18942745    -15.37966261
  O     13.43133552     10.53015294    -11.33373506
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  H     14.60618906     13.53359986    -15.66323333
  O     14.76484283     12.62082576    -15.43842253
  H     14.62442865      5.62563607    -14.54507836
  H     13.74988259      8.71807644    -17.01022999
  O     13.31942557      8.79521658    -16.14900239
  H     18.90594623      6.79697399    -14.24075371
  H     12.76153241      8.01920409    -16.01166720
          69
 Energy    -249.04432607601552     
  O     -6.17663739     -2.39374184     -8.34877174
  H     -5.56600500     -3.11564548     -8.15878474
  H    -10.09185463     -3.84592059     -4.60121190
  O     -7.36778602     -4.10454824     -0.90089175
  H     -5.96850646     -1.70837131     -7.69867924
  H     -8.49247061     -2.49492707     -4.50942216
  O    -10.79223576     -5.28920264     -2.02883300
  H     -7.60750514     -5.03995700     -0.91360542
  H     -9.67279204     -1.60284430     -5.01953799
  O     -8.87361619     -2.36573885     -8.51148207
  H     -8.17485555     -3.62530701     -1.13417211
  H     -3.38845247     -2.51401888     -4.86211413
  O     -8.06700006     -6.39683226     -3.99659895
  H    -10.08318943     -5.85382016     -1.69838596
  H     -4.07612090     -3.70129759     -4.18072875
  O     -7.90234708      0.03713932     -2.96788035
  H    -10.58528723     -4.40306681     -1.70428377
  H     -4.07209651     -4.07645752     -6.54151272
  O     -5.25704947     -0.78564640     -2.32892631
  H     -9.10604266     -2.42058492     -9.43563358
  H     -3.64446526     -4.83134607     -7.81992826
  O     -6.69766247     -5.55817456     -6.26752051
  H     -7.90053037     -2.39354550     -8.47174191
  H     -7.90082307      0.88468787     -4.67485651
  O     -9.99989801     -0.72629561     -6.59182664
  H     -7.43764954     -6.27457998     -4.71739610
  H     -8.64114285      0.54613416     -5.99008257
  O     -5.83805396     -0.81983015     -6.08578135
  H     -8.84920124     -5.89502661     -4.25822063
  H     -9.59072238     -1.86289102     -1.05732461
  O     -3.57556980     -0.58539760     -4.60845879
  H     -8.25798706      0.10236851     -2.07218563
  H     -9.69080184     -2.46947825     -2.48034936
  O    -10.33348564     -4.77226111     -4.70924311
  H     -8.38066089     -0.68725976     -3.39099487
  H     -6.00565788     -3.87762912     -2.11420803
  O     -9.33939019     -2.08881350     -4.25473804
  H     -6.10789351     -0.43637091     -2.62890179
  H     -5.24967760     -2.59686197     -2.54411734
  O     -3.57004962     -3.45532195     -4.96573197
  H     -4.60811495     -0.59299057     -3.01672757
  H     -9.18088071     -4.10510787     -7.69014600
  O     -4.38842187     -4.40596172     -7.40146227
  H     -7.49971677     -5.45665417     -6.80478150
  H     -9.70736628     -4.97785082     -6.51891005
  O     -7.85635782      0.98079416     -5.63600047
  H     -5.92817759     -5.30560936     -6.78882686
  H     -8.16407391     -6.65131855     -2.30501000
  O     -9.72913029     -2.68727286     -1.53907882
  H    -10.85032627     -0.43590147     -6.91350958
  H     -8.20698739     -7.59042531     -1.07405882
  O     -5.37261348     -3.53317252     -2.75813299
  H     -9.60857030     -1.27857045     -7.28846341
  H     -6.67746932     -2.51927930     -0.06934784
  O     -9.15966744     -4.99210876     -7.31513020
  H     -6.21634612     -1.62830134     -5.70797726
  H     -5.91014349     -1.27742385     -0.57997711
  O     -8.33077764     -6.68498843     -1.34385831
  H     -6.49511321     -0.11530703     -5.99312193
  H     -6.42700925     -3.27062698     -4.15853562
  O     -6.50843533     -1.58515445      0.11308018
  H     -4.34186468     -0.59580025     -5.20963342
  H     -6.93496024     -3.92857618     -5.46244822
  O     -6.96333183     -3.11225706     -4.94823591
  H     -2.97673780      0.08188816     -4.93344881
  H     -9.12061296      0.25504164      0.40922400
  O     -8.83583689     -0.27983452     -0.32625259
  H    -10.66652643     -5.04965998     -3.84171172
  H     -8.00107799     -0.70826535     -0.06083513
          69
 Energy    -249.04423081003461     
  O     10.90696083     10.13579517    -11.38856031
  H     11.75372743     10.58758970    -11.48499698
  H     15.84611677     13.58981311    -13.14232839
  O     14.06409660      8.21358960    -14.93444109
  H     10.51367541     10.11117250    -12.27042745
  H     16.56357401      7.41213033    -13.39687291
  O     17.36519313      8.91180782     -9.84847631
  H     14.74887695      8.25476058    -14.24898254
  H     16.57209186      8.97129538    -13.30292003
  O     16.18251386      9.63576484    -16.20742600
  H     13.56398103      7.41868185    -14.71359758
  H      9.94875112      7.51655041     -9.85725082
  O     12.53292877     10.47651914    -14.68838418
  H     16.42537227      9.04910680    -10.02452082
  H     10.70097975      8.50786111    -10.77786200
  O     15.46960505      5.05657341    -11.00082778
  H     17.48313296      7.95460192     -9.78684535
  H     18.77597811      6.53801353    -11.48915928
  O     12.98818026      5.97381965    -13.67109554
  H     15.42009846      9.12419108    -15.89966290
  H     19.27150269      7.80236476    -12.21174952
  O     14.74306840      9.00985164    -10.86709261
  H     16.66259578      9.94317528    -15.42356875
  H     11.19329594      6.57250813    -13.61722289
  O     15.33509533      4.37191414    -13.78969443
  H     13.01439165      9.64508169    -14.81858209
  H     10.35525875      7.08327344    -12.42678996
  O     17.38132605     10.48969340    -13.77827955
  H     11.59995057     10.25353842    -14.58940413
  H     19.88356325     10.10577176    -11.32878638
  O     17.82914546      7.39767304    -16.59832910
  H     14.64900682      5.55071127    -10.87141809
  H     18.49276271      9.49324413    -11.03639291
  O     15.65900577     12.65953242    -13.23695815
  H     15.43483897      4.71809808    -11.90254740
  H     17.63648549      6.44680080    -15.08642891
  O     16.06455149      8.17679930    -13.08606840
  H     13.70132612      5.34079233    -13.81694905
  H     18.18371191      6.22413067    -13.62794827
  O     10.57513808      7.56342441    -10.57419275
  H     13.07567414      6.25952551    -12.74891879
  H     18.02702645      5.52598684     -9.26573387
  O     19.19589086      6.84631044    -12.30378026
  H     14.27364472      9.78234312    -11.20648700
  H     16.92558444      5.71467484    -10.33171460
  O     10.38370175      7.04808725    -13.39153638
  H     15.24134154      8.64717666    -11.61871806
  H     13.79057239     11.60720906    -15.44276756
  O     19.11789374      9.72242831    -11.74856129
  H     16.10695250      4.92519760    -14.00185496
  H     15.16287392     11.35049575    -16.09243284
  O     17.45155311      6.02977255    -14.23278199
  H     15.50219935      3.51317454    -14.16988855
  H     13.71253793      7.54081818    -10.84511779
  O     17.74580682      6.09886581     -9.97435698
  H     16.87729309     11.26308288    -13.49243905
  H     12.30294492      6.90925530    -10.71688899
  O     14.63094397     12.03285354    -15.66717182
  H     18.08316377     10.33363421    -13.13110313
  H     14.20582456     11.75587516    -12.33153968
  O     13.21403994      6.71966185    -10.96972533
  H     17.28353244      8.19812511    -16.59180958
  H     13.12983257     10.90175633    -13.01926637
  O     13.47797885     11.15082397    -12.14988011
  H     18.38269749      7.46283072    -17.37256781
  H     10.07380426      8.68658751    -13.89666181
  O      9.94737819      9.63971257    -14.05447197
  H     15.29100828     12.53572975    -14.13163359
  H      9.08475998      9.74307389    -14.44655203
          69
 Energy    -249.04405044574253     
  O      0.38105949      0.78362592      5.33134029
  H      0.73322347      0.87612265      6.21332507
  H     -1.53960284      3.14695565      0.97318234
  O      2.90815858     -0.51001896     -2.08955722
  H     -0.30055751      0.08926997      5.37751642
  H     -3.70762071      1.38841313      4.59320042
  O     -1.60436722     -1.06776615      5.41247433
  H      2.89014094     -1.40831842     -1.73878307
  H     -4.48188957      0.20773610      3.95240401
  O      0.41867057      0.39020582     -1.22824643
  H      2.00548923     -0.17291999     -1.98768572
  H      0.53246712      4.63093081      1.45344078
  O      2.70457541     -2.93695029     -0.52770914
  H     -1.73788163     -1.89732185      4.94211383
  H      0.70166366      3.09445696      1.40457934
  O      3.71750523     -1.25590599      1.37616931
  H     -2.40031998     -0.54658993      5.22751205
  H     -2.33482381      1.67728840     -0.89515768
  O     -4.77265986      2.53035824      2.01673491
  H      0.72106525      0.90039786     -0.46742911
  H     -2.59571587      0.20339068     -1.26400708
  O     -4.25987968     -2.35118704      2.05604262
  H     -0.47134573      0.68999363     -1.46295452
  H     -2.51219825      0.27087353      2.94073208
  O     -0.94942069      3.08632396      4.23969062
  H      3.22324156     -3.73584953     -0.56991264
  H     -1.27364713     -0.43775388      2.32720287
  O      4.12376914      1.07504393     -0.26169535
  H      3.07228790     -2.40286963      0.19889630
  H      0.10843064     -1.30050556     -0.70572335
  O     -5.74709983      0.04957990      2.59228201
  H      4.01157594     -0.47166300      0.89685263
  H      0.84906666     -2.63444348     -0.49549846
  O     -2.27058717      2.56219873      0.74804998
  H      3.14242718     -0.92919462      2.08010623
  H      1.11297515     -0.85806116      2.82419277
  O     -3.69054473      0.43171715      4.45786461
  H     -4.48685259      2.89553128      2.86342467
  H      1.40592190      0.22933113      3.87864710
  O      0.10592336      3.80987316      1.68518734
  H     -4.00772770      2.62753854      1.43412544
  H     -3.83084151      3.89065938      5.20202487
  O     -2.22057035      1.02605661     -1.60148585
  H     -4.83424997     -1.59587842      2.22707259
  H     -2.65511707      3.23587445      4.43763978
  O     -1.95406296      0.22459259      2.15544069
  H     -3.84607710     -2.16971308      1.20074519
  H      2.54304666      1.61628312      0.55731457
  O     -0.01191232     -2.21055994     -0.39198526
  H     -0.54418821      3.33940682      3.40176765
  H      1.66160887      1.06954820      1.71220211
  O      1.72923441     -0.14312952      3.05024350
  H     -0.46574054      2.32066599      4.57138363
  H     -3.00177606     -2.95330005      3.12007556
  O     -3.62324268      3.22667988      4.55064800
  H      3.76128038      0.54270290     -0.99346722
  H     -2.42528240     -4.17517317      3.86926065
  O      1.67368227      1.69297960      0.97117371
  H      4.90827979      1.50257454     -0.59307800
  H     -0.81522375     -2.52279030      2.75487789
  O     -2.24356538     -3.26654293      3.64470663
  H     -6.70034456      0.07364725      2.57497991
  H     -0.12887282     -2.13436874      1.39597836
  O     -0.16595931     -1.93961952      2.34311931
  H     -5.44356442      0.92248908      2.28448875
  H     -2.51602936     -0.78848476      0.67543581
  O     -2.72630518     -1.37306978     -0.06884453
  H     -2.11591673      1.74698862      1.25294040
  H     -1.90557014     -1.83146662     -0.28945866
          69
 Energy    -249.04401024463283     
  O     13.36143926     11.32719231    -11.67485755
  H     12.63402543     11.05924470    -12.24831408
  H     16.46887389     10.22699245     -9.20486053
  O     16.10802081      8.16865121    -14.83983063
  H     13.27492402     10.81339678    -10.86272550
  H     15.97222496      9.64141606    -12.25792686
  O     14.94953911      5.23483987    -11.73275337
  H     16.07982611      8.29471247    -13.87691924
  H     16.87163147      8.49998683    -11.70785319
  O     17.50409972      7.30821823     -8.46775470
  H     16.18570620      9.05912180    -15.20186516
  H     11.44252110      9.41534066    -13.39475331
  O     15.83750987     10.95265970    -15.41531542
  H     14.42974738      6.01036316    -11.47957942
  H     10.40074044     10.55415715    -13.47526573
  O     11.52463263      4.98737436    -14.11859582
  H     14.33731100      4.54398464    -12.01455477
  H     15.66043701      4.31738686    -14.79034929
  O     13.50037561      7.68984816    -15.66520363
  H     17.32374236      6.48339147     -8.95213921
  H     14.44326530      3.47629153    -14.34887928
  O     13.70672487      7.64470949    -11.23442413
  H     17.94666880      7.06102303     -7.65977685
  H     12.53707040     10.60635555    -14.95645563
  O     13.04372097      5.08776361    -16.56878356
  H     16.13594308     11.54994824    -16.09614377
  H     13.19135307      9.51974286    -15.82606328
  O     18.50539868      8.27679401    -10.92910138
  H     14.87276829     10.86662099    -15.52134405
  H     17.87720069      5.21571560    -10.72371516
  O     18.94967789      5.78138371    -12.24843706
  H     11.87703249      5.02504654    -15.01645589
  H     16.35552586      5.08318629    -10.55006358
  O     15.87128180      9.65483771     -8.70227726
  H     11.50672136      5.89826235    -13.79753687
  H     16.08093733      5.55924924    -13.13570353
  O     16.04626806      8.67943356    -12.17477689
  H     13.37043861      6.83332360    -16.08949652
  H     16.56839267      6.45260986    -14.32674166
  O     11.33837729     10.37946477    -13.45614144
  H     14.43280140      7.76363047    -15.41728910
  H     12.55911208      3.88951998    -13.25062262
  O     14.93112699      3.78052359    -15.12468629
  H     14.53359401      8.02745312    -11.57010522
  H     12.80268403      2.54836245    -12.51428982
  O     13.18033911     10.47326502    -15.66191793
  H     13.42986442      8.21646170    -10.50858336
  H     17.16504075     11.31445985    -11.14119730
  O     17.18558578      5.13417783    -10.05639192
  H     13.75687711      4.59248375    -16.12740245
  H     18.16110062     10.24018874    -10.65295298
  O     16.71709123      5.61567324    -13.86641911
  H     12.90211202      4.67464794    -17.41605442
  H     12.51060419      7.69390024    -14.15947388
  O     13.24274056      3.32673819    -12.84435387
  H     18.80102905      7.48833623    -11.40039564
  H     12.53261783      7.65261266    -12.59758231
  O     17.66106043     11.01387980    -10.36761140
  H     18.26985861      7.99135202    -10.03519990
  H     12.75738096      9.83491748     -8.56363180
  O     11.94891009      7.69390738    -13.36915327
  H     19.70920303      5.34060205    -12.62100911
  H     14.20780278      9.67592909     -9.07805876
  O     13.26938869      9.64784064     -9.34513822
  H     18.23143019      5.69361169    -12.89673099
  H     15.93148964     11.38245551    -13.54741544
  O     15.92654281     11.40005467    -12.58399110
  H     16.35491426      8.83731185     -8.54053612
  H     15.00591940     11.49776271    -12.28932387
          69
 Energy    -249.04353889540153     
  O     12.07817910     13.23511496    -11.80880652
  H     12.53791717     12.92114654    -11.00972523
  H     17.37714368     13.07201617    -17.20862667
  O     20.26892733      7.02577397    -13.10127680
  H     11.50629592     13.94763031    -11.53724749
  H     12.40588586     10.39794226    -14.31278967
  O     18.18322568     10.88926716    -12.63296315
  H     20.99717810      6.44182234    -12.90482885
  H     13.67110772      9.59891757    -14.66679739
  O     13.28024652      9.53250080    -10.81814749
  H     20.57023176      7.62372249    -13.80675801
  H     14.96085270     11.42067837    -12.82853422
  O     16.17099586      6.93252127    -12.02712106
  H     17.21960138     10.80018278    -12.65123150
  H     15.28861006      9.89849925    -12.98065471
  O     14.78811258      7.48077240     -9.60280127
  H     18.35283343     11.75176723    -12.23420307
  H     17.54640619      8.92023109     -9.83900935
  O     17.77086012      6.31603827    -14.35631783
  H     13.98789602      9.89076676    -11.36922577
  H     16.73507482     10.12977696     -9.31118007
  O     14.05418460     12.70470763    -13.70937589
  H     13.65750724      8.76503284    -10.37138650
  H     21.39669980      8.64645943    -15.96999375
  O     16.99173069      8.49306312    -15.87432086
  H     16.96554265      7.44381161    -11.81287665
  H     20.28079997      9.41219197    -15.24202394
  O     18.48737529      8.41858254    -11.41400018
  H     15.63038075      6.93613636    -11.22873493
  H     15.68353057     13.52926661    -13.85439333
  O     15.36347213     10.69001364    -16.72538147
  H     14.61812568      6.94467822     -8.83294039
  H     16.93046659     13.41731529    -14.74483869
  O     17.29780016     12.55713863    -16.40970773
  H     15.51693937      8.08589787     -9.37143690
  H     18.55442264     14.24149976    -11.42488433
  O     13.13951123     10.35816799    -14.94495557
  H     17.16683777      6.28091584    -13.60468548
  H     17.50998678     13.65490988    -12.40630082
  O     15.40586480     10.67124757    -12.40812697
  H     18.64791792      6.44299033    -13.97515395
  H     13.24772416     11.19366420     -9.89808530
  O     16.86158215      9.17873906     -9.20829146
  H     13.35346874     12.99207346    -13.10880839
  H     14.37837126     12.20009536     -9.62665542
  O     20.95463678      8.72329578    -15.12788967
  H     13.69408512     11.99608776    -14.26130580
  H     18.69422458     10.67047939    -14.33220933
  O     16.62351353     13.75346619    -13.89489931
  H     17.29892744      7.65725637    -15.49121142
  H     18.46326100     11.26573756    -15.74216881
  O     18.00976531     13.47663114    -11.58770121
  H     17.68258839      9.14556571    -15.70189027
  H     11.90713057     10.06209659    -12.07799855
  O     13.42120816     12.12916397     -9.72492108
  H     19.16675300      7.91575073    -11.87981564
  H     11.46862713     11.48121082    -12.45722315
  O     18.87654918     10.53055949    -15.27333069
  H     18.47255837      9.29639628    -11.82092813
  H     15.91906217     11.39214126    -10.78988537
  O     11.45318708     10.56733978    -12.76496435
  H     14.50994500     10.61410595    -16.28252543
  H     16.86239505     12.51524571    -10.34604598
  O     16.24413534     11.85843468    -10.00519600
  H     15.81095466      9.84071186    -16.61764915
  H     15.66385282      8.48201847    -14.67181303
  O     14.99423260      8.49668496    -13.97286259
  H     16.55114972     11.94562500    -16.54595868
  H     15.26949559      7.85040647    -13.30885202
          69
 Energy    -249.04307571176508     
  O     11.85586672      9.64322224    -10.60887139
  H     12.68233907     10.11589402    -10.80567392
  H     16.14629931      4.07061993    -12.95203940
  O     13.53756351      3.86979550    -14.77816933
  H     11.32579052     10.22513344    -10.06954860
  H     13.96576923      7.89409286     -8.91113818
  O     14.50759258     11.79282166    -13.86605655
  H     13.16012420      3.04415943    -15.06782693
  H     12.68862255      8.11986858     -9.74645624
  O     15.37785388      8.81883747     -8.23940071
  H     14.16734235      3.65860875    -14.06493763
  H     18.33191823      8.20243275    -15.12318791
  O     18.22801695     10.32096244    -10.05541837
  H     13.81297476     11.31523311    -14.33515804
  H     19.77780793      7.65904435    -15.03852992
  O     11.34204028      8.67978215    -13.20950992
  H     14.37557771     11.59844515    -12.92881300
  H     12.07290061      9.64505761    -14.43185207
  O     17.06966392     11.68682264    -14.72132421
  H     15.49886689      9.75111754     -8.45031217
  H     11.99647445     10.29403697    -15.83607232
  O     14.26352777     10.79684440    -11.24363159
  H     16.23156260      8.40360566     -8.41026268
  H     13.44659467      6.89935465    -14.00263123
  O     16.56978702      6.47708605    -11.15838239
  H     18.22701846      9.41756950     -9.71278780
  H     12.89339757      5.45646022    -14.02585718
  O     17.38974098      5.58316792    -13.62504396
  H     18.36393404     10.25135434    -11.00916630
  H     15.01154705      8.41669724    -13.99154695
  O     15.57861509      5.64622520    -15.70166100
  H     11.42988672      8.96738632    -12.29199075
  H     13.93059227      8.83970255    -15.04109636
  O     15.32760396      3.60609617    -12.74800654
  H     11.67099265      7.77243866    -13.24935902
  H     13.54691654      5.79772127    -11.93191820
  O     13.25217222      7.43291313     -9.37579981
  H     17.31729639     12.54188842    -15.06259487
  H     13.69213039      6.10135272    -10.42024759
  O     18.98694148      7.80101059    -14.52379819
  H     16.14634973     11.76204603    -14.41986082
  H     18.39846786      7.04105192     -8.61371938
  O     12.59478416     10.09706796    -15.12053456
  H     14.80188198     11.14257228    -10.51977044
  H     17.44988532      7.19218671     -9.82517624
  O     12.82242487      6.30429719    -13.56807857
  H     14.74691063     10.04204174    -11.61352952
  H     16.82046217     11.14477161     -9.48529386
  O     14.60154551      8.17513388    -14.83753888
  H     15.68027282      6.11052395    -11.04815776
  H     16.17753687     12.23836598     -8.59880370
  O     14.00869438      5.51985543    -11.12999476
  H     16.92395227      6.13771498    -11.99280251
  H     15.95923171      8.00966499    -11.91389722
  O     17.87700589      7.67632846     -9.09752865
  H     18.05052673      6.24237339    -13.86672851
  H     16.62182205      9.24975849    -12.55989077
  O     15.97083971     11.50272077     -9.16833964
  H     16.77880060      5.54955440    -14.37774729
  H     17.97913209     10.64507172    -13.47237890
  O     15.77314575      8.80800569    -12.42420010
  H     14.86200833      5.01378683    -15.56691657
  H     18.65735756      9.24643789    -13.34924488
  O     18.28100326      9.97714871    -12.84177301
  H     15.19647065      6.52075432    -15.55679480
  H     16.20390086      8.78398068    -15.74284244
  O     17.08175141      9.12249538    -15.95247843
  H     14.89437982      4.11589939    -12.04847907
  H     17.07961661     10.04617296    -15.66950648
          69
 Energy    -249.04264738650016     
  O     -2.31538367      1.34284598      1.38595503
  H     -2.42583407      2.19093930      0.96162501
  H     -2.31411038     -7.05106258      0.02307375
  O     -2.06543471     -1.84885520      7.83959087
  H     -1.36188820      1.17456626      1.42649598
  H     -0.54317974     -2.11132004      2.76751141
  O      0.42055600      0.75996782      1.82065532
  H     -2.69134756     -1.27791231      7.35868467
  H      0.18004930     -3.33224841      2.12316151
  O     -2.95659153      0.01889854      3.78882762
  H     -1.97966400     -1.48555193      8.71677334
  H     -2.62305161     -5.22066143      1.83560258
  O      1.72779746     -4.52283838      4.91058963
  H      1.12136719      1.37397611      2.02903021
  H     -1.99171480     -3.92032597      2.37832805
  O     -3.74370923     -4.00069676      6.88947662
  H      0.27964122      0.22307608      2.61901672
  H      1.99436170     -4.01074879      1.21353955
  O     -0.36807556     -2.80280090      5.81297783
  H     -2.86741100      0.60439115      3.02816075
  H      1.34740203     -5.17316810      2.02938082
  O      0.25685120     -6.80461233      4.94640106
  H     -3.41050028     -0.78152145      3.48234935
  H     -3.86563611     -3.09152829      2.77537060
  O     -5.57071979     -2.59163016      5.46975296
  H      1.17207353     -3.82570072      5.28046783
  H     -4.84566637     -2.39841362      3.76087139
  O      0.50205410     -6.72239527      2.09865181
  H      1.84978956     -4.32133158      3.97236886
  H      1.73764610     -2.52537034     -0.54336523
  O     -0.52995871     -4.65227925     -0.99337698
  H     -3.14759622     -4.48652928      6.30157907
  H      2.80487697     -3.43897459     -1.18755076
  O     -1.89372249     -6.39330743      0.57036001
  H     -3.18763819     -3.37085313      7.36271152
  H     -1.24551843     -0.45511853      4.01076686
  O     -0.64879958     -2.83339784      2.13871435
  H     -0.82419992     -2.45249756      6.58869319
  H     -0.22299691     -1.42277513      4.66969898
  O     -2.74520066     -4.52321225      2.49029451
  H     -0.90345457     -3.54833149      5.50456482
  H     -0.01984736     -1.29183333     -0.62819204
  O      1.69825478     -4.26928945      2.09448608
  H      0.61473984     -7.46876019      5.52909789
  H      0.82915761     -0.38912406      0.27724277
  O     -4.31548073     -2.25693343      2.96597407
  H      0.85999860     -6.03935682      4.98582001
  H     -2.47968425     -1.78314171     -0.25068737
  O      2.09433542     -3.43090657     -0.55164799
  H     -6.45802109     -2.83232604      5.72220351
  H     -1.26903809     -2.39326258      0.49685494
  O     -0.32574037     -0.75853673      3.97420915
  H     -4.96811421     -3.16356679      5.97894756
  H     -3.55047006     -0.10534580      5.54514979
  O      0.88567463     -0.97918952     -0.48102521
  H     -0.34699746     -6.72560223      1.64085537
  H     -4.58136530     -1.07089841      6.14456212
  O     -1.60881313     -2.17731213     -0.38580070
  H      0.32518889     -6.89932454      3.03064569
  H     -2.25859002     -4.94303418      4.18144289
  O     -3.88454693     -0.44771103      6.38502609
  H      0.39763187     -4.40861753     -0.90755127
  H     -1.25368595     -5.74389720      5.06571024
  O     -1.91233233     -5.03860125      5.07929397
  H     -1.01758947     -3.81637191     -0.95428487
  H     -4.20629172     -1.36496421      1.25658638
  O     -3.91624545     -0.91716480      0.45140824
  H     -1.40257535     -5.80331933     -0.03066868
  H     -3.45623574     -0.11840573      0.73522181
          69
 Energy    -249.04221794024079     
  O     15.87280879     10.08861252    -15.41595996
  H     16.71096709      9.60232297    -15.42807777
  H     13.11892088     11.90763836     -8.93474423
  O     15.59020612      7.54626955     -9.06701231
  H     15.15834073      9.46818323    -15.61274713
  H     16.90567846      4.74811580    -15.01160924
  O     16.66853478     12.69459859    -15.27183540
  H     15.89752868      7.13946039     -8.26181541
  H     18.20797236      3.91385771    -14.98434973
  O     12.99271079      8.45913817     -9.86992622
  H     15.88564843      8.47479944     -9.04453901
  H     15.73316841      8.04722176    -12.09221962
  O     13.86742509      8.24055677    -15.68965635
  H     16.52248096     13.17557812    -16.08206484
  H     15.83110935      7.13111417    -10.84249597
  O     18.32576428      8.86431485    -15.18058433
  H     16.30306609     11.80221284    -15.40335034
  H     17.88442078      6.07635764    -16.38686521
  O     18.28046710      6.93326146    -13.13359485
  H     13.79744829      8.02910780     -9.55849490
  H     18.00520130      7.60183721    -16.51226071
  O     11.72790879      7.81427096    -12.17622117
  H     13.08615793      9.38988072     -9.63147305
  H     16.01726366      6.70429850    -17.44816543
  O     15.86463500     12.99823776    -12.57946965
  H     14.16097116      7.71155894    -16.44251545
  H     14.95462960      6.37536230    -18.52388287
  O     12.35589772      9.99195742    -13.93876317
  H     13.86479013      7.64347774    -14.92775620
  H     15.64385431      9.82476495    -13.62192258
  O     13.56370061     11.58217306    -12.05323567
  H     18.69496132      9.69681299    -14.85197146
  H     14.79152100     10.20742346    -12.38447427
  O     13.56257154     11.20021733     -9.39461497
  H     18.33120173      8.23432317    -14.44748034
  H     18.30683348     11.94211924    -14.56156029
  O     17.87500997      4.80565535    -14.93055504
  H     18.25765975      6.15293498    -13.70108178
  H     18.64109771     11.29611079    -13.20841663
  O     15.88310288      7.13067972    -11.80559202
  H     17.44644562      6.93570874    -12.64001925
  H     16.95360902     10.47142932    -11.93007379
  O     17.69770551      6.81415660    -16.98044760
  H     12.16582416      8.03778567    -11.33556657
  H     18.38958418     10.24347237    -11.39352890
  O     15.06413189      6.56703510    -17.59654812
  H     10.84429550      7.52987834    -11.95715758
  H     14.53918302      6.59393022    -12.88812040
  O     15.53748525      9.66898131    -12.67476804
  H     16.13891623     13.02511807    -13.50579152
  H     13.01833166      6.80700606    -13.06978136
  O     18.92895011     11.34526108    -14.12728151
  H     16.57137811     12.54453483    -12.10805722
  H     19.18033174      8.11117501    -12.03881825
  O     17.70285039     10.91921235    -11.50588531
  H     12.76957395      9.53248582    -14.67793748
  H     20.46611454      8.84618584    -11.63373191
  O     13.80643460      6.46170031    -13.50691876
  H     12.04864177      9.29281741    -13.34635259
  H     16.77204111     10.55452451     -9.81827810
  O     19.51994724      8.84507250    -11.50471048
  H     13.09294959     11.20287938    -12.80945383
  H     15.36219425     10.64502271     -9.17615312
  O     16.20967899     10.18336750     -9.12976546
  H     14.26779655     12.18031905    -12.34698256
  H     15.04130411      5.28819665    -16.14341643
  O     15.18690222      4.81491206    -15.31523172
  H     13.50305644     11.40090030    -10.34621536
  H     14.62609017      5.25121322    -14.65999257
          69
 Energy    -249.04221668414144     
  O     11.95852299     10.55751197    -15.56497937
  H     11.42932594     10.89719834    -16.28323995
  H     18.73982729      7.81763122    -15.35531496
  O     16.00453120      6.83218642    -12.70807931
  H     12.45002896      9.79575540    -15.91952481
  H     15.44527291      8.22125068    -13.76650646
  O     17.53521705     11.02020801    -11.86946749
  H     15.32264324      6.95880935    -12.03511037
  H     14.50317355      8.71491554    -14.90205291
  O     16.34351787     10.89978214    -15.93881324
  H     16.80365706      7.29023167    -12.41335483
  H     10.25738030      9.80132615    -12.94951251
  O     12.96371983      5.81882816    -15.43674130
  H     16.62846715     11.20064850    -12.15766285
  H     11.45806625     10.00121362    -13.89719357
  O     14.74192473     10.15390441     -8.67489506
  H     17.54357667     11.13974247    -10.91205872
  H     17.76973506      9.17504725     -9.15164431
  O     13.97358948      7.37281546    -10.90391528
  H     17.20334020     11.13039851    -15.56070435
  H     18.07305485      8.12476271    -10.23524637
  O     14.92163767     11.26641912    -12.72724443
  H     15.98741087     10.21677004    -15.35177132
  H     11.82078709      7.79886807    -13.09632216
  O     17.70264867      6.88723520    -16.54714169
  H     12.37280542      5.10174031    -15.65000918
  H     12.79107520      6.91482764    -12.29341280
  O     15.36730821      7.34884889     -8.48388628
  H     12.68722735      6.16248409    -14.56738641
  H     18.41334288     11.20378299    -13.57600280
  O     15.80048639      5.59431705    -15.15209319
  H     14.09167086     10.21237936     -9.38654355
  H     18.96695038     10.18171996    -14.58806605
  O     19.31465876      8.26263521    -14.71377661
  H     14.84475268      9.21336230     -8.48402752
  H     18.69568903      8.24067310    -12.94237255
  O     15.13323698      9.00550753    -14.23253062
  H     14.37838831      7.23329499    -10.03867609
  H     17.97689060      9.27248151    -12.03794706
  O     11.18899081      9.61607059    -13.04859488
  H     13.72732396      8.30818740    -10.94347648
  H     16.35523139     10.80412085     -8.91336801
  O     17.79673458      8.22360026     -9.31519847
  H     14.97716505     10.41634035    -13.19372610
  H     17.52637756     11.67016560     -8.39231677
  O     12.23353373      6.92765765    -13.08197496
  H     14.64930504     11.90379850    -13.40081577
  H     16.04684461      9.61870258    -17.26155914
  O     18.69060932     11.10113349    -14.49570902
  H     18.04175339      6.29336873    -17.21278528
  H     16.46187029      8.14166749    -17.34403227
  O     18.23254711      8.33964832    -12.10216808
  H     17.01771140      6.39366458    -16.05970876
  H     13.80278618     10.58054370    -11.54307411
  O     17.29063020     11.03212601     -9.06041070
  H     15.45826051      6.77162104     -7.73091037
  H     12.39729866      9.95814095    -11.59859569
  O     15.79362117      8.76707618    -17.64662098
  H     16.26881949      7.58233221     -8.77075165
  H     13.40013193     11.89405644    -15.26771209
  O     13.16860803     10.05597958    -11.02946938
  H     14.85089475      5.57378169    -15.31318887
  H     14.91144328     12.07727351    -15.51374563
  O     14.14528244     12.47298257    -15.07311647
  H     15.90680587      5.88567229    -14.23404622
  H     14.18911071      8.47741521    -16.94957127
  O     13.40029297      8.41161468    -16.38807858
  H     20.21204500      8.04297473    -14.95601577
  H     13.21731861      7.48102393    -16.21105441
          69
 Energy    -249.04191927660565     
  O     14.56234193     10.71057708     -8.70082142
  H     14.63489684     10.61251853     -7.75565371
  H      9.96656174     14.07984881    -13.04326005
  O     10.98066454     11.47812729    -15.05148469
  H     15.04948453     11.52021789     -8.93921665
  H     15.59727317     14.12079445    -16.57072222
  O     15.00337802      8.86702064    -10.83024968
  H     10.88796035     12.23310693    -14.45422379
  H     16.23432981     14.35525849    -17.96222772
  O     18.53092075     13.71636964    -13.48015039
  H     11.00041630     11.84058591    -15.94657913
  H     12.63561527     12.98723475    -11.10327958
  O     12.43401430     11.41542461    -10.42521661
  H     14.17721428      8.91260514    -11.32949837
  H     13.40686052     14.36548397    -11.21915140
  O     12.72386048      9.38400726    -12.40112392
  H     14.88466649      9.43032334    -10.05554929
  H     11.61579896     14.63577673    -14.96081331
  O     13.66227126     10.60267606    -14.83317733
  H     18.27945705     13.21503658    -14.27888505
  H     11.87078237     14.24715794    -16.42481224
  O     14.88368360     15.35555959    -10.67577403
  H     19.46308310     13.90088998    -13.55181904
  H     15.46436783     12.39088996    -12.81299881
  O     10.23606624      9.20009911    -13.60473076
  H     13.07252675     11.16157322     -9.74760818
  H     14.01334000     12.96500663    -12.70060423
  O     14.80199245     14.69547198    -15.11404049
  H     12.46177153     10.71810678    -11.09304075
  H     17.33081797     11.41551809    -15.42381024
  O     13.92881566     11.74039910    -17.48686088
  H     13.16714236      9.70541005    -13.19502090
  H     17.22667811     12.69822173    -16.28757778
  O     10.77152828     13.79919161    -13.47137310
  H     11.82212618      9.17349418    -12.68088230
  H     11.04573746     12.71964965    -18.40020483
  O     15.99327813     13.67414923    -17.33989981
  H     12.72898537     10.82734872    -14.94619119
  H     12.32931565     12.37659264    -17.60429327
  O     12.76825271     13.78312509    -11.64640027
  H     14.05899667     11.32512176    -14.31655531
  H     17.86327100      8.59281134    -12.09960364
  O     12.13317638     14.87409839    -15.74003795
  H     15.43913888     15.44175329    -11.47111733
  H     16.42635894      9.06275539    -11.76632507
  O     14.66220935     12.59240150    -13.31127534
  H     14.88452804     16.20954755    -10.25133241
  H     16.70190598      9.58833479    -14.09516076
  O     17.74212047     12.27583970    -15.59184339
  H     10.37951287      9.97515626    -14.16993213
  H     15.48368207      9.93001890    -14.97704008
  O     11.42301915     12.72722694    -17.52517362
  H      9.68443722      8.60535844    -14.10712486
  H     17.64302385     12.55110594    -12.38278229
  O     17.21382442      9.25919403    -12.30632381
  H     14.80429484     13.93461917    -14.51395936
  H     17.19449017     11.08402254    -12.04529369
  O     16.44660368      9.89996219    -14.97275545
  H     13.87740365     14.86624691    -15.34638594
  H     15.84471472     15.45617578    -13.73999663
  O     17.00277252     12.01816973    -11.89375334
  H     13.99889675     11.25445224    -16.65735174
  H     17.16668555     15.01019496    -13.09140365
  O     16.38218633     15.55152289    -12.94240035
  H     14.68071294     12.34540310    -17.51529223
  H     15.53892078     13.78240948     -9.79369350
  O     15.87201805     12.91517988     -9.53988087
  H     11.47219402     13.83769918    -12.79766268
  H     16.35255246     12.58704681    -10.31441819
          69
 Energy    -249.04151607732996     
  O     14.56322500      6.79384451    -13.52969429
  H     15.42583039      6.36267827    -13.46656032
  H     16.84394597     12.57447631    -17.83000499
  O     18.63052812      8.24453092    -12.54029805
  H     14.29211696      7.00465472    -12.62445116
  H     15.29253289      8.33272617    -14.17857031
  O     17.52854710      9.43691502    -16.42148339
  H     18.84201962      8.04244192    -11.62035181
  H     14.83343581      9.76513025    -14.56927485
  O     12.47807307      7.95503960    -14.94963433
  H     18.18486154      9.10259792    -12.53811008
  H     12.00269190     11.72904336    -11.50850272
  O     16.53482505      8.60030988     -8.87148408
  H     16.86243709      9.32643296    -15.72360718
  H     12.14734160     10.26179040    -11.98061670
  O     13.80505896      7.59415938    -11.00347056
  H     17.42355764     10.33829128    -16.74101078
  H     17.18613524      5.38834209    -11.44805492
  O     17.07576061     10.56155693    -12.63731486
  H     12.74849087      7.95750364    -15.87694358
  H     17.91367491      5.99892751    -10.23475233
  O     13.67831785      8.08481536    -17.52741855
  H     13.14668353      7.42359067    -14.49107457
  H     12.20330713      8.14854990    -11.77041777
  O     15.08905835      6.11559234     -9.02419926
  H     15.98260268      7.81475754     -8.77217011
  H     11.62403106      8.31998886    -13.19323315
  O     16.21192522      7.12700719    -17.28219964
  H     16.02911764      9.21943932     -9.41337862
  H     19.34605632      7.98809926    -14.28043672
  O     18.12861937      5.50577710    -15.83711698
  H     14.12700698      7.02263289    -10.29595385
  H     18.91827418      8.45758768    -15.68729417
  O     16.69264688     12.07958315    -17.02906171
  H     14.27728152      8.43563334    -10.92474407
  H     17.47787043      5.64800264    -14.10309507
  O     15.60931352      9.20103639    -14.45683191
  H     17.28581923     11.37724018    -13.11036436
  H     17.64177596      6.76045409    -13.03195883
  O     12.62212635     11.10740827    -11.88200683
  H     16.54469279     10.03733968    -13.25905586
  H     19.57795100      7.72749702     -9.17783873
  O     17.23760251      5.35613263    -10.48370568
  H     14.55911545      7.68270402    -17.42427896
  H     18.08553750      8.03352647     -9.45108924
  O     11.54968888      8.64205818    -12.28736769
  H     13.32056794      7.74292762    -18.34325049
  H     14.09924301      9.98420544    -17.41291635
  O     19.44586700      7.79347191    -15.22128017
  H     15.83184072      5.75825594     -9.54435201
  H     13.79708728     11.01793844    -16.32294970
  O     17.16507016      5.94294307    -13.23901901
  H     14.85651966      5.45245186     -8.38058041
  H     14.27684285     10.56955097    -11.09198393
  O     18.88219368      7.61025017     -9.81885750
  H     16.72074455      7.94091236    -17.15957516
  H     15.78761292     10.33185169    -11.37490306
  O     14.25368092     10.90410994    -17.16840526
  H     16.72907009      6.44133727    -16.84680651
  H     17.67746108     13.64148821    -14.33608837
  O     15.05666592     10.08960097    -10.78814182
  H     18.69850495      4.84149330    -16.21520692
  H     17.16474913     12.53583144    -15.26763041
  O     17.41354122     12.72429236    -14.35134089
  H     18.68434178      6.28940784    -15.66825530
  H     12.81864891      9.75580905    -14.69799309
  O     13.21270538     10.63773370    -14.61579608
  H     15.80254671     11.69068075    -17.10769971
  H     13.03091514     10.94858389    -13.72207259
          69
 Energy    -249.04146354148952     
  O      4.37493947      1.24098783      6.38019959
  H      4.92894155      1.39688020      5.59451600
  H      3.62336754      3.02965989      6.38199101
  O      1.69123848      4.32794026      0.06233639
  H      4.92995966      0.81675686      7.02859946
  H      1.63082164     -0.19181757      2.00125943
  O     -1.14715107      4.24022382      0.42604700
  H      0.73411232      4.39243096      0.16015453
  H      2.12333604     -0.41792662      3.46819110
  O     -0.56445224     -1.91157750      2.76566067
  H      1.85184153      3.60906155     -0.56494631
  H      2.75485600      3.96284783      1.40438164
  O     -1.84225639     -2.65675015      0.50330523
  H     -1.74812520      4.95808442      0.24649525
  H      3.58580217      2.75252975      1.96839653
  O      4.23302304      0.19413551     -0.89303781
  H     -1.42314101      3.49328738     -0.13722603
  H      2.63769432     -1.73401986      0.97116371
  O      0.12290759     -1.20048686     -0.79098746
  H      0.36993225     -1.68738086      2.81970270
  H      1.86445913     -1.80289489     -0.35811359
  O      1.42346821      3.25614874      4.18417633
  H     -1.05111054     -1.13364427      3.07036610
  H     -2.64071206      0.53833630      4.14224976
  O     -0.72018773      2.59304713      2.63571186
  H     -1.38741080     -2.48224241      1.34835958
  H     -1.65662910      1.21150492      3.15983892
  O      5.75573178      1.84787892      4.11326258
  H     -2.24011860     -3.51929651      0.57602960
  H      0.21693523      1.50562825      1.46111336
  O      5.06661826      4.61850998      3.97799941
  H      3.74942467     -0.60751646     -0.62214363
  H      1.20572760      1.39799822      0.25386377
  O      3.27408597      3.89302319      6.12712274
  H      4.97788428     -0.09265710     -1.41456104
  H     -1.29414043      1.66339679     -1.68797649
  O      2.13321543     -0.79627817      2.57339054
  H      0.20271956     -0.48990893     -0.13492871
  H     -2.24787169      1.37292555     -0.50139305
  O      3.27991563      3.64969577      2.15564303
  H     -0.56298184     -1.79865857     -0.46933591
  H      3.60918168      0.38661105      2.16806409
  O      2.75005026     -1.87577807      0.02196497
  H      1.89563885      3.55989941      4.97191614
  H      4.38084044      0.80475739      0.89710970
  O     -2.13698017      0.38696086      3.34643533
  H      2.03076865      3.40309314      3.44460174
  H      2.84363534      1.38547130     -1.29349405
  O      0.75148685      0.89476736      0.94102888
  H     -0.91315592      3.27704757      1.98237631
  H      1.43888496      1.56715038     -1.95616384
  O     -1.84690160      2.08459076     -1.02334236
  H     -0.03426521      2.91545596      3.23933367
  H     -2.66733642     -0.88164035      0.44724343
  O      4.23821041      1.03242253      1.82347933
  H      5.68313285      2.81012084      4.06842698
  H     -2.74220961      0.19632400      1.53038853
  O      2.06206974      1.95173949     -1.32625047
  H      5.35500533      1.51061571      3.30228319
  H     -0.18945966      0.33732572     -3.64275154
  O     -2.86270299      0.05203923      0.58398632
  H      4.43293166      4.38431998      3.27742779
  H      0.02397153     -0.10237470     -2.17319737
  O      0.01805883      0.66500241     -2.77165734
  H      5.48228214      5.43374960      3.71007662
  H      1.77023440      1.45617650      4.66400416
  O      2.07237577      0.56555754      4.88240888
  H      3.92644285      4.26191190      5.51808442
  H      2.82450950      0.68350546      5.47543941
          69
 Energy    -249.04103221855814     
  O     -4.06194304      1.12115614      1.54081528
  H     -4.99012318      0.92271358      1.44261061
  H      1.61424813      1.55816843      4.47654041
  O     -2.87774959     -2.70254774      0.61872880
  H     -4.00888096      1.99411011      1.96628020
  H     -1.07797422      3.92527346     -1.44070705
  O      0.73731873      3.63420182     -1.96515101
  H     -2.00165310     -3.09776693      0.52670304
  H     -2.28704425      3.03279524     -1.09884359
  O     -2.61988100      1.19534630     -0.87736794
  H     -2.84018198     -2.16158874      1.41856220
  H     -1.38326876     -1.66495004     -2.04404289
  O      0.83357926     -0.08931829      4.59716819
  H      1.23671501      3.88250874     -1.16589096
  H     -0.09770256     -0.83953326     -1.87162531
  O      2.01979395      4.29203939      0.30899149
  H      1.15208705      4.08039000     -2.69823336
  H     -1.38677803      2.35869537      3.49254019
  O     -0.69217217      2.21001157      1.90077882
  H     -3.01246385      1.22045014      0.00498885
  H     -1.14675051      3.28993507      4.70156226
  O     -1.97042297      0.08569547      5.32975498
  H     -2.91376383      0.36788663     -1.27881846
  H     -2.39953055      4.91110323      0.26648140
  O     -3.27355837     -1.40299839     -1.73438980
  H     -0.05221301     -0.08614086      4.97717213
  H     -3.01333084      6.23628099      0.77729389
  O     -2.48719959     -0.87472737      2.73355487
  H      0.77371039     -0.66831175      3.82745353
  H     -3.21101777      3.31374565      3.44224785
  O      0.19385743     -1.49228638      2.19362171
  H      1.36944368      4.65875978      0.92535512
  H     -3.47484737      4.21535309      2.21360307
  O      1.96827548      2.45331832      4.37061505
  H      2.56722566      3.68921405      0.82525940
  H      0.39317877      1.82914891     -1.72067311
  O     -1.98293800      3.94959473     -1.10774094
  H     -0.40411905      3.12520502      1.79298003
  H     -0.81500154      1.05173665     -1.14243100
  O     -0.42653337     -1.74546401     -1.94581484
  H      0.05796131      1.66423089      1.64356125
  H      0.93338146      3.76123749      4.69286386
  O     -1.74414547      2.61363956      4.36188488
  H     -2.37397406      0.05004907      6.19274719
  H      0.62720001      5.02318453      5.53848293
  O     -2.59267379      5.43149513      1.06814979
  H     -1.94286026      1.02318454      5.06791900
  H      1.09750618     -0.19223194      1.37102266
  O     -3.86811410      3.52810843      2.76593900
  H     -3.95975089     -1.83021089     -2.23966054
  H      1.06790147      0.67504274      0.07258497
  O      0.10935291      0.95796515     -1.41751130
  H     -3.21110293     -1.87682563     -0.88518497
  H      0.30287256     -4.22084781     -0.08302666
  O      0.28846232      4.48229398      4.83135491
  H     -2.96934861     -0.13847150      2.33364948
  H     -0.15817937     -2.84081084     -0.61161340
  O      1.47951701      0.58614388      0.94329906
  H     -2.39100408     -0.66565821      3.67100976
  H      2.72575479      1.63310971      1.52250961
  O     -0.13655570     -3.41544861      0.17500779
  H     -0.72749011     -1.23273013      2.33891379
  H      4.22088533      1.93873043      1.77898214
  O      3.34421998      2.30461116      1.86384245
  H      0.17645565     -2.23305468      1.57562036
  H     -0.89599229      5.26457061      1.81597116
  O     -0.00215418      4.98967722      2.05721787
  H      2.50136492      2.44730860      3.56803597
  H      0.05444549      4.93925444      3.01973345
          69
 Ord_Energy   -249.040939    
 O   -2.05850244      -1.63268971     -0.637328863    
 H   -2.24102569      -1.01122391      -1.35112631    
 H   -1.28740335      -1.28831124     -0.171411559    
 O   -2.45647240      -2.37473249      -4.15297604    
 H   -2.69974041      -1.51477814      -3.79526687    
 H   -1.56116867      -2.54861379      -3.82329392    
 O    1.87390423       2.11551118      -5.45015812    
 H    2.73428392       1.82077742      -5.12750387    
 H    1.83728242       1.83296192      -6.37245989    
 O    3.85828567      -3.14854193      -1.31726766    
 H    3.56352568      -4.02411318      -1.59726918    
 H    3.35469413      -2.94801617     -0.520550549    
 O   -1.43465292      -4.29672766      -1.10022736    
 H   -1.93975973      -4.69281483      -1.82509494    
 H   -1.81922579      -3.43370032     -0.884622991    
 O   0.403466672     -0.963103831      -6.32330608    
 H   0.790901601     -0.374833167      -6.98393345    
 H   0.104554482     -0.406162441      -5.59280825    
 O    3.51132178      -1.16644704      -3.16845870    
 H    2.67029095     -0.842716694      -2.81403208    
 H    3.79652095      -1.86334121      -2.56047750    
 O    4.40216684      0.945257008      -4.65702772    
 H    4.16195822      0.203360453      -4.07591009    
 H    5.17031574       1.35800946      -4.27042294    
 O    1.85736227      0.775650382      -7.99334526    
 H    2.68388367      0.309713751      -7.77231169    
 H    1.90193331      0.997331798      -8.91905880    
 O    6.51345626E-02  -2.94621491      -3.01393032    
 H   0.600743890      -3.57228732      -3.51310515    
 H  -0.378037691      -3.44019866      -2.30948782    
 O   -2.56164789      0.160064489      -2.92236376    
 H   -3.19226933      0.876068354      -2.93057132    
 H   -1.77907145      0.475163609      -3.40483141    
 O    1.03704274     -0.564905524      -2.16185093    
 H   0.689038038      -1.42785430      -2.44364619    
 H   0.858227432     -0.482925117      -1.21901262    
 O   -1.39660513      -3.09439802      -6.60994101    
 H   -1.96337378      -2.82253718      -5.87397146    
 H  -0.744011581      -2.38618708      -6.68173122    
 O    2.73454833      -5.65862322      -2.13430905    
 H    3.19456577      -6.48419237      -2.26457024    
 H    2.33783507      -5.42308140      -2.98985791    
 O  -0.757246494      -5.57375956      -5.75277233    
 H  -0.987819195      -6.23340321      -6.40163517    
 H  -0.986487687      -4.70897102      -6.14010191    
 O   0.990810275      -4.97660494       2.41920408E-02
 H    1.51442313      -5.31716394     -0.710890412    
 H    8.88363272E-02  -4.84799719     -0.303560317    
 O    2.15735984      -2.80469179       1.05147731    
 H    2.61724615      -3.05598831       1.84843302    
 H    1.70267200      -3.60558581      0.728287637    
 O   0.421901762     -0.713836193      0.561102152    
 H   0.454542965     -0.104839042       1.29483593    
 H    1.02766263      -1.44284940      0.773964286    
 O   -2.59495902      -5.10400772      -3.48037004    
 H   -2.80526924      -4.19153786      -3.72422957    
 H   -2.00446510      -5.41712523      -4.17417669    
 O    2.59639335      -2.48154640      -5.49080944    
 H    2.93688059      -2.06672788      -4.68568325    
 H    1.81034482      -1.98247147      -5.75849247    
 O  -0.187327936      0.808638096      -4.17541504    
 H   0.452636808       1.40326858      -4.59292793    
 H   0.272606403      0.393231153      -3.42957377    
 O    4.03205204     -0.556628942      -7.05425167    
 H    3.68333077      -1.36653161      -6.66047382    
 H    4.30548000      -7.35931983E-03  -6.30771589    
 O    1.58943260      -4.82613564      -4.46164989    
 H    2.00461769      -4.10654879      -4.95972633    
 H   0.833317339      -5.16042089      -4.96246481    
          69
 Energy    -249.04077496938729     
  O     13.66166636      2.76277879    -11.11228066
  H     13.74013987      1.80666982    -11.00353444
  H     15.58233761      6.53124104    -15.38275052
  O     12.63457392      3.22961008    -13.67263390
  H     13.32372703      2.90269285    -12.00926163
  H     14.56255904      9.73904167    -10.39139608
  O     16.42058572      3.23068806    -11.39975124
  H     11.87025568      3.76474646    -13.42742201
  H     13.29622534     10.57154253    -10.06809498
  O     17.97932649      6.16691449    -13.45344297
  H     13.27208609      3.83140531    -14.08193685
  H     14.27307037      7.28880716    -12.43338116
  O     12.13274772      6.80762730    -14.46200345
  H     16.68465732      4.10271160    -11.07759142
  H     13.86452354      6.05099855    -11.57670683
  O     13.81392420      0.69123145    -14.07267847
  H     15.47221172      3.13821424    -11.23730006
  H     11.83658868      5.26881040    -11.21820966
  O     14.17047374      0.00217436    -11.29604688
  H     17.76893998      6.09459253    -12.51077617
  H     12.90845807      4.36481666    -10.55444555
  O     17.56092374      8.99519992    -12.61444846
  H     17.81827901      5.28506601    -13.81206184
  H     16.62603583      0.31671608    -15.53999966
  O     16.24413457      9.50802475    -10.22815085
  H     12.87470568      6.28579727    -14.78487252
  H     15.47881260      0.80991761    -14.62652482
  O     14.52911033      5.08588248    -14.55839013
  H     12.51876639      7.58915534    -14.04029455
  H      9.82369887      5.26105535    -12.87843336
  O     15.65906865      9.73325372    -14.64627284
  H     13.80870702      0.35005400    -13.16982688
  H     11.17508950      5.81855915    -13.38951210
  O     16.25200653      7.22183925    -15.41401789
  H     13.28957725      1.50204847    -14.05280221
  H     16.10822224      6.13837218    -11.33872783
  O     13.59017667      9.76267061    -10.47832404
  H     15.12474753      0.09107818    -11.47241173
  H     16.88335473      6.29479279    -10.01050800
  O     14.55339907      6.40807243    -12.15240357
  H     14.05500600     -0.80145394    -10.79688974
  H     16.69433221      3.47822459    -13.17726567
  O     12.55392369      5.26514897    -10.57138806
  H     16.98496799      9.34026520    -13.30772938
  H     16.80111594      2.71247651    -14.51029298
  O     16.43137065      0.89783387    -14.80965798
  H     17.87187368      8.14032496    -12.92790654
  H     16.82624680      1.42731932    -11.66664023
  O     10.76826763      5.17689957    -12.77963064
  H     16.43642479      8.79880309     -9.60497052
  H     16.81375337      0.53967383    -12.92475474
  O     16.92713222      5.88543172    -10.88186157
  H     16.77568707      9.33912326    -11.01972704
  H     13.47719612      8.11341476     -9.44416243
  O     16.81696440      3.59961215    -14.13119371
  H     14.55176062      5.55750221    -13.70889392
  H     13.15755383      6.59991160     -9.37581418
  O     16.75596921      0.50821257    -11.96220992
  H     15.31740334      4.52302779    -14.56465504
  H     15.35618506      7.20396366     -8.58303131
  O     13.63360373      7.31178653     -8.93014118
  H     15.85713920      8.85869376    -15.02953412
  H     16.52353859      7.17343955     -7.56699099
  O     16.32660790      7.21757729     -8.49852623
  H     15.80751449     10.37772918    -15.33285574
  H     13.46564384      9.24622494    -12.22823697
  O     13.52844395      8.81554850    -13.09132360
  H     16.93247351      6.93106449    -14.78994619
  H     14.22572807      9.25221015    -13.59902839
          69
 Energy    -249.04030388770218     
  O     -3.19932489     -1.50514904      0.23759812
  H     -2.42405916     -1.51989717     -0.34032428
  H     -0.68887875     -0.51903850      1.99746885
  O     -1.50659867      2.41595264      1.90159079
  H     -3.85155194     -0.92339520     -0.17473400
  H     -3.35537009     -2.95546202      1.37910453
  O     -2.49928056     -2.12025623      4.41004681
  H     -0.84188580      2.61073212      2.57307989
  H     -3.18300650     -3.14094344      2.90445052
  O      2.97001974     -2.72792158      1.27661214
  H     -1.88638020      1.55848425      2.14563279
  H      1.29665877     -0.10011062      2.96164098
  O     -0.98283253     -1.45225216     -1.49625545
  H     -2.78914493     -2.21975664      5.31254423
  H      2.23746965     -0.64761380      4.02878463
  O     -2.63199474      0.30189591     -2.84001842
  H     -1.62261808     -2.54155808      4.34650688
  H     -0.14320334     -2.77866213     -0.40329467
  O     -4.81188358      0.42865922     -0.94462086
  H      2.13992267     -2.97669191      0.84789558
  H     -0.13703999     -3.86041270      0.73731838
  O     -1.79487394      3.01358144     -2.33861628
  H      3.35364461     -2.03128103      0.73071634
  H     -2.48354741     -0.71943365      3.23411766
  O      0.08516348      2.66114105     -0.40116848
  H     -0.20841407     -0.89824432     -1.32518178
  H     -2.75473407     -0.57416810      1.70437318
  O      3.87280836     -0.51507505     -0.28231167
  H     -1.53985025     -0.93704370     -2.09892342
  H     -1.14960109     -5.98054642      1.76875889
  O      1.17143151      0.15244615     -0.68406123
  H     -2.30492977      1.20858067     -2.78654144
  H     -1.86684740     -4.61345608      1.90142236
  O      0.21867823     -0.71296773      1.73380679
  H     -3.46362206      0.30337735     -2.35131991
  H      0.73984754      3.09806112      4.58740537
  O     -3.27699419     -3.62357793      2.07434692
  H     -4.42035046      1.24648555     -0.58829644
  H      1.11012395      1.81253509      3.81822997
  O      1.89133833      0.17960500      3.67754118
  H     -5.74286658      0.59597025     -1.06171612
  H      3.29577946     -3.03459112      4.40281156
  O      0.36114482     -3.13549347      0.33875261
  H     -1.60138910      3.74583536     -2.91802495
  H      2.78360560     -2.62320265      3.00391254
  O     -2.38683396     -0.12460848      2.47936119
  H     -1.05106700      2.94557264     -1.71519386
  H      0.78468527     -3.12385875      4.03636013
  O     -0.99408893     -5.04316676      1.84202780
  H     -0.47209081      2.54698629      0.38259514
  H     -0.26545037     -4.04023851      3.34739547
  O      0.66533870      2.67209866      3.73654613
  H      0.51221214      1.81020577     -0.58047947
  H      3.31959762      2.06997166      1.55937292
  O      2.60073716     -2.55582526      3.95895673
  H      3.90361742      0.13386289      0.44592913
  H      3.24428644      0.84710176      2.49102738
  O     -0.14101438     -3.39315396      4.05189047
  H      4.68112683     -0.41563415     -0.77708492
  H     -3.02240149      2.91385699     -0.88667309
  O      3.74328617      1.22199898      1.75618471
  H      2.10926422     -0.07000983     -0.71388037
  H     -2.94264637      2.72653283      0.64308222
  O     -3.54505852      2.67886279     -0.10869767
  H      0.86940074     -0.07101749      0.21099671
  H      1.53048922      3.35697172      0.68268005
  O      2.17114711      3.48775085      1.39248798
  H      0.24717567     -1.62052014      1.40263552
  H      1.67567364      3.36987145      2.21184879
          69
 Energy    -249.04024554991889     
  O     -2.60471790     -0.35711770      3.00127769
  H     -2.88920322     -0.49619018      3.91637956
  H      1.79396266     -1.26579664      2.91647910
  O     -3.94477594      1.75847044      6.32567887
  H     -2.06187149     -1.11923592      2.76239295
  H     -2.81652098     -2.66283570      5.13271729
  O      1.62551763      0.28284301      1.90628606
  H     -4.67412254      2.17689246      6.77505644
  H     -1.75680301     -3.70058209      5.54452040
  O      2.80883579      2.58193094      3.05364774
  H     -3.80276422      2.25564138      5.50023730
  H     -0.35900718     -4.54500858      7.55628998
  O      0.28097479      0.18961392     -0.58342589
  H      0.91724535      0.63487077      2.46997191
  H      0.37131847     -4.02611664      6.29597710
  O     -0.93949140     -2.57516451      2.64862330
  H      1.27358384      0.25322808      1.01001875
  H      0.00214813     -0.70304041      6.65873177
  O     -1.05302245     -2.13106684     -0.05512618
  H      2.60490857      1.75544062      2.59734362
  H     -0.62906816     -2.01647933      7.17949610
  O     -3.35903504      1.76489767      1.46739925
  H      2.21694857      3.23828529      2.66581613
  H      1.75024143     -3.42815608      4.54308859
  O     -3.45660702      3.08999560      4.02556362
  H     -0.22034784     -0.63009960     -0.43386251
  H      2.27648098     -4.85492570      4.76281498
  O     -0.82078317      3.86300569      4.08080145
  H      0.68082507      0.11214009     -1.44622862
  H     -2.21100696      1.80464106      7.19578275
  O      0.84563491      4.27823969      1.84763486
  H     -0.06663642     -2.36245873      3.00136302
  H     -1.14130225      0.78398177      7.61489641
  O      1.62028155     -1.87442086      3.64660999
  H     -1.44052975     -3.00576300      3.35792978
  H     -1.17138033      0.68658235      3.48484273
  O     -2.35263155     -3.45290347      4.82681184
  H     -1.63264873     -2.76956817     -0.46261300
  H     -0.53516182      2.07145545      3.82553453
  O     -0.39185387     -3.87397835      6.87914717
  H     -1.00377839     -2.37700764      0.88294050
  H      1.33223080      3.11441853      6.32148035
  O     -0.76639699     -1.06377386      7.12681165
  H     -3.14923052      0.95221353      1.95953401
  H     -0.09697755      2.91425120      6.90238131
  O      1.68487845     -4.20098444      5.12626223
  H     -4.12281121      1.56981333      0.92988577
  H      2.94564816      2.38233491      4.79112595
  O     -1.32248748      1.72937784      7.56328528
  H     -3.53748123      2.73925596      3.13280935
  H      3.81855592      2.47305652      6.06461534
  O     -0.34263340      1.13589979      3.68510609
  H     -2.57393643      3.48764332      4.07249360
  H     -0.47448730      1.80794906      0.06104472
  O      0.47341824      3.53691223      6.42608015
  H     -0.22737883      4.17142727      3.38733561
  H     -1.69273688      2.39324699      0.80454154
  O      2.95830786      2.20979994      5.74973217
  H     -0.34505823      3.87112168      4.92758552
  H     -3.54490032      0.00134781      5.93476797
  O     -0.80997108      2.60926316      0.48008597
  H      0.26492781      3.69312761      1.32819779
  H     -2.30819776     -0.89721589      6.16920849
  O     -3.13057457     -0.82741101      5.66162427
  H      0.96874203      5.07030850      1.33113154
  H      1.92933368      0.67129699      5.79802944
  O      1.24656683      0.01722883      5.60823318
  H      1.55190120     -1.30670205      4.42948933
  H      0.62833477      0.44852439      4.99547863
          69
 Energy    -249.04005021331918     
  O     -0.47370969      0.71760961      0.22598037
  H     -1.42422794      0.86575312      0.19120322
  H     -3.70735581      3.00291487      3.08584322
  O     -1.81925227      5.20879028     -0.30323992
  H     -0.27695000     -0.05446187     -0.32224260
  H     -2.47976641     -0.47964099      6.81611652
  O     -2.60276083      3.34157533      1.62097406
  H     -2.11335993      6.08807778     -0.52512848
  H     -3.04399707     -0.04309524      5.43987703
  O      2.58621938     -0.20738528     -0.76995332
  H     -1.88499163      4.67690244     -1.11658078
  H     -3.24167853      0.27557540      0.90054417
  O     -1.43491294     -3.04278676      0.27140382
  H     -2.44385787      4.04055374      0.97475748
  H     -3.12749764      1.84337292      0.80220746
  O     -1.16427159      0.08484996     -3.32635726
  H     -1.78623286      3.25150836      2.13302958
  H     -4.32230877      0.87855611      4.03517751
  O     -1.99861332      3.65325468     -2.50129307
  H      2.36937811      0.72870586     -0.85994766
  H     -4.02283510     -0.50715903      3.39366935
  O      1.38011629      2.40853306     -0.88740631
  H      1.83400412     -0.70060236     -1.12773009
  H     -1.82195327      1.79590448      5.82428166
  O      0.12632196     -1.40321949     -1.44711182
  H     -1.65869267     -3.96156933      0.14533358
  H     -1.59286331      3.18513102      6.45707118
  O     -0.83800998     -1.01269681      3.82859477
  H     -0.70249641     -3.01965948      0.91515611
  H     -0.07026691      4.83549757      0.41788027
  O     -2.89421202     -1.18196873      1.92188354
  H     -0.60898694      0.86106138     -3.47297442
  H      0.51258455      4.18055240      1.68079884
  O     -4.04925479      2.67703483      3.92886686
  H     -2.03301246      0.42514163     -3.08023346
  H      1.35169054     -2.31657978      1.97256950
  O     -2.27810903      0.03635127      6.04030654
  H     -1.17919317      3.33528458     -2.90014801
  H      0.07990955     -2.31752081      2.84334672
  O     -3.25804351      1.02890871      0.29412668
  H     -2.60953280      2.90681266     -2.51804583
  H      1.67198029      0.21379668      2.44265541
  O     -4.25164073     -0.07107185      4.22136082
  H      0.68070838      1.84147199     -0.52768888
  H      0.38941834      0.73769052      1.75566234
  O     -1.66918547      2.73195362      5.62019712
  H      1.34924590      3.20931815     -0.34610314
  H     -0.67462506      3.10981177      4.04670659
  O      0.75001694      4.50181716      0.80262025
  H     -0.35794647     -0.99875211     -2.18520437
  H      0.22755359      2.36278467      3.03370878
  O      0.52438280     -2.78831405      2.12502288
  H     -0.44530399     -2.05055668     -1.01858315
  H      0.83371405      2.48989846     -2.56126473
  O      0.88284621      0.74748229      2.59261678
  H     -0.23319539     -0.32944686      3.50275208
  H      1.07530446      2.73227523     -4.06950206
  O     -0.27876310      3.17720195      3.16969893
  H     -1.21506131     -0.69929907      4.65696958
  H     -3.53622627      1.16209282     -1.42686755
  O      0.40846310      2.48042929     -3.43610356
  H     -2.19849281     -1.08783037      2.58919370
  H     -4.48882540      1.13844372     -2.64508303
  O     -3.58210466      1.28849074     -2.39041254
  H     -2.56694094     -1.84508009      1.30275726
  H      2.81732513     -0.79452488      0.84740299
  O      2.83665545     -1.09562790      1.77373239
  H     -3.34337025      2.84230316      4.56394031
  H      3.74424253     -1.30680911      1.97439720
          69
 Energy    -249.03995206005180     
  O     17.79398129     11.01029018    -14.65196218
  H     17.07074395     11.64726519    -14.63956359
  H     18.12134109      7.67687811    -10.15926661
  O     15.25285604      6.84809006    -11.20296939
  H     17.99162026     10.82693682    -13.72316865
  H     12.89948930      7.88729655     -9.61167049
  O     11.84753815      8.96176663    -14.43361145
  H     14.31795585      6.88250702    -10.96651191
  H     12.09910710      7.97780404    -10.92686103
  O     13.27474963     10.82603793    -10.74844479
  H     15.33601876      6.45691018    -12.08409905
  H     14.32218849     12.27454686    -11.32841111
  O     19.39234815      7.93282677    -11.57242617
  H     12.65446605      9.48964675    -14.51934162
  H     15.77999112     12.68615873    -11.05512545
  O     12.69202740      6.77517491    -16.06795320
  H     11.98433481      8.17601269    -14.97424937
  H     15.36052672      8.54831022    -11.76630115
  O     15.59961732      5.99068908    -13.80692345
  H     13.31346110     10.41384293     -9.87557301
  H     14.72225351      9.95392450    -11.55294586
  O     14.33897969     10.18730678    -14.51006709
  H     12.51463714     10.43190886    -11.19548004
  H     17.86828154      9.52273223    -15.55295039
  O     16.07052487      9.84189422     -8.55923956
  H     20.29051210      7.62318602    -11.49720420
  H     18.53823936      8.74799269    -16.71187805
  O     13.20634611      4.72631003    -14.08142722
  H     19.01109960      7.49993526    -12.35817243
  H     12.03586183      5.78606976    -11.12719946
  O     13.47855941      9.23629027     -8.42185533
  H     12.44649734      6.56289834    -16.96553141
  H     11.65384928      4.30480840    -11.03016118
  O     17.36837684      7.63587290     -9.55967454
  H     13.59744599      7.12544964    -16.10555824
  H     17.42016115      6.41256448    -13.73807322
  O     12.60731349      7.36935996    -10.37265525
  H     15.46830989      6.68213716    -14.46793737
  H     18.21750861      7.45268726    -14.55371605
  O     15.04160777     12.82759755    -11.66032007
  H     14.83891814      5.39544612    -13.88771394
  H     10.24698690      9.42230404    -11.79376941
  O     15.36595464      9.46247082    -12.07891581
  H     14.71936579      9.87844304    -13.67259347
  H     11.38105435      9.14079690    -12.80707120
  O     17.90648306      8.65961845    -16.00320740
  H     14.63585793     11.09796396    -14.61315177
  H     17.61924392     11.49284290    -10.68327696
  O     11.80115504      5.01038263    -11.65685066
  H     16.59641008      9.08239207     -8.85548927
  H     17.95995377     12.59099221     -9.64882359
  O     18.26522200      6.87898461    -13.77983367
  H     16.45308751     10.62544801     -8.96529532
  H     14.88440930      8.76534747    -15.44074007
  O     11.18839123      9.28881169    -11.86362556
  H     12.66400020      4.80811639    -13.28475634
  H     16.12910324      8.09731280    -16.05405579
  O     17.24009447     12.07311350    -10.00050895
  H     12.85349382      5.34973989    -14.72672474
  H     15.34174183     13.59262027    -14.70872929
  O     15.20104754      7.94136643    -15.84092375
  H     14.43686408      9.42153125     -8.41850142
  H     15.34980812     12.80143481    -13.38143068
  O     15.50520139     12.72870397    -14.34039579
  H     13.17636104      9.35268078     -7.52544999
  H     17.07371067      9.99200284    -12.00515290
  O     17.98738274     10.31579916    -11.94841968
  H     16.65244399      7.22753894    -10.06704036
  H     18.55187580      9.54970935    -11.78570713
          69
 Energy    -249.03977170825624     
  O     14.48435399      9.83918019    -15.94148740
  H     14.60638720      9.42878644    -16.80562676
  H     19.50088442      5.52512705    -15.70979978
  O     14.23792817      3.88094999    -16.24432827
  H     13.77589658      9.35041145    -15.50562168
  H     19.07002427      7.34453023    -16.66919979
  O     17.86024857      6.43924836    -11.93408730
  H     14.22161856      3.84908699    -15.27997838
  H     17.56757171      7.63011207    -16.42358452
  O     16.64742028      6.63693108    -18.80966220
  H     13.89043447      4.75645113    -16.47053244
  H     16.81367900      5.94814242    -15.46381109
  O     13.94401363      5.65252691    -10.16782927
  H     17.19897464      7.07379326    -12.24876073
  H     15.43149052      6.58544421    -15.83842701
  O     14.24340017      4.24857756    -13.43567146
  H     18.70565582      6.74767594    -12.28440439
  H     12.80623768      7.72937790    -13.87867464
  O     16.04623061      8.13538174    -13.08983109
  H     16.60573775      5.71400636    -18.53625209
  H     11.56028257      8.40849574    -14.49180624
  O     17.98064168      4.51563986    -15.64436171
  H     17.37746437      7.04336621    -18.32153587
  H     16.75818264      3.06736422    -11.47573308
  O     13.73248663      2.91107699    -11.00311573
  H     14.86734107      5.67500945     -9.88766700
  H     16.59467195      3.69394670    -10.08661883
  O     18.90019867      9.54390700    -14.71527864
  H     13.74522964      4.72280011    -10.33529839
  H     13.87651268      7.14179080    -17.33770604
  O     16.40243374      3.87082984    -17.85432414
  H     14.01284875      5.16460900    -13.23287763
  H     13.14402021      7.04869563    -15.97216226
  O     20.16337172      6.23086623    -15.75406569
  H     13.95359805      3.71732027    -12.68275799
  H     20.91043238      7.93375836    -12.88940016
  O     18.33025386      7.90505233    -16.95351089
  H     16.15351332      7.66405047    -13.93406191
  H     19.65320264      8.34016832    -13.69008322
  O     16.27411628      6.74746633    -15.39906929
  H     16.15253381      9.07281202    -13.28449404
  H     16.06005328      4.11387900    -13.25972859
  O     12.46780467      8.17753603    -14.67290606
  H     17.67967188      4.10932840    -14.82001094
  H     17.34443662      4.82887328    -12.74141759
  O     16.41717999      2.88851539    -10.58876141
  H     17.50926001      4.12510316    -16.39080673
  H     17.21853988      5.88819441    -10.35509854
  O     13.66590780      6.54406633    -16.60846823
  H     14.67915467      2.79105739    -10.80675149
  H     17.22850779      5.89490583     -8.81063501
  O     20.06294074      7.61271286    -13.18746265
  H     13.28488737      2.12554696    -10.70175539
  H     15.36898988      7.79526678    -18.64011970
  O     17.01194184      4.00281039    -13.11940423
  H     18.08720744     10.02742520    -14.53025764
  H     14.35847109      8.77108560    -19.28392494
  O     16.76781785      5.54102197     -9.56746524
  H     18.77858643      9.14471496    -15.58700884
  H     14.49327818      7.38408266    -12.68963518
  O     14.62545261      8.39544528    -18.44935666
  H     16.38850157      3.13662134    -18.46266227
  H     13.64852413      6.54633605    -11.68542021
  O     13.66071429      6.89885994    -12.58706771
  H     15.59802841      3.80005970    -17.30868058
  H     16.16381542     11.61174300    -13.95069511
  O     16.34520936     10.70195802    -14.16989712
  H     20.22966440      6.58665175    -14.86105282
  H     15.70355971     10.44584132    -14.85685513
          69
 Energy    -249.03967038509887     
  O      0.70920685      1.14298195      5.29791694
  H      1.26612101      1.36660217      6.03795392
  H     -3.91108775     -0.67190338      5.61061947
  O     -0.83572876     -0.94041659      5.96300764
  H      0.19148667      0.35851736      5.56199155
  H     -2.07340728      3.53490639      1.37382654
  O     -0.88992482      0.12850878     -1.02811058
  H     -1.74900109     -0.68936278      6.16801335
  H     -0.61404529      3.01700824      1.22635781
  O      0.28473882     -3.59150057     -2.28214797
  H     -0.87015180     -1.81331719      5.55942735
  H     -2.92425481      0.48612374      1.09400683
  O     -5.27799857      2.35479736      2.87901360
  H     -0.27307818      0.72620765     -0.58625105
  H     -3.50640446      1.67123966      0.27889343
  O     -3.31350721     -3.71932721      3.33469606
  H     -1.77507697      0.36942908     -0.71828609
  H     -2.05304407      0.76773316      3.23409758
  O     -1.57597369      2.29948455      4.18450591
  H      1.13790054     -3.92674474     -2.54604549
  H     -1.54966667     -0.59239929      2.66136671
  O     -0.18651593     -1.11028075     -3.40903284
  H      0.15592939     -2.76605014     -2.77931943
  H     -0.49543108     -3.01469746     -0.77086336
  O     -6.54989187     -0.16547970      2.44100398
  H     -4.93371705      2.36666624      3.78034174
  H     -0.94313206     -1.58541993     -0.37518874
  O     -4.44737283     -1.27062534      3.94406762
  H     -5.75187067      1.52216793      2.76566977
  H      0.95713428     -0.34267421      2.54090158
  O     -3.89195879      3.38662909      0.81357866
  H     -3.38559381     -3.73569069      2.37366036
  H      1.26677029      0.79737895      3.52613573
  O     -3.47743747     -0.18696984      6.32662659
  H     -3.81711477     -2.94343646      3.62114846
  H     -4.01551793      3.27539357      5.96690965
  O     -1.20398607      3.52810702      1.79324883
  H     -0.74897573      2.01188398      4.58958351
  H     -3.09707096      2.48210429      5.00802390
  O     -3.23893489      0.74665356      0.21317150
  H     -1.37523110      2.81270396      3.38661845
  H      0.98912106      1.43087124      1.20118704
  O     -2.30686156      0.00591257      2.69784479
  H     -0.66164621     -0.72518295     -4.14120856
  H      1.50082781      2.36018625      0.07615054
  O     -0.95848093     -2.50907947     -0.08803563
  H     -0.43823112     -0.59418408     -2.62621930
  H     -1.79451723     -3.61289673      4.14550012
  O      1.37487619      0.52822274      2.60674891
  H     -6.13389821     -0.56497563      1.65531762
  H     -0.64961286     -4.27650423      4.94764104
  O     -3.98351395      2.50019601      5.41173148
  H     -7.48128799     -0.36187374      2.39089399
  H     -0.35586374     -2.17429998      1.60341862
  O      0.72223781      1.91134780      0.39577530
  H     -3.71406630     -0.81761539      3.49932645
  H     -0.30955982     -2.42756006      3.15017391
  O     -0.91699989     -3.45761424      4.53983630
  H     -5.25754644     -0.94593158      3.53566322
  H     -2.58453995     -3.15735341      0.26713650
  O     -0.14118175     -1.77638494      2.45742822
  H     -4.40815618      3.06455614      1.57612529
  H     -3.61138557     -4.24735718     -0.10071285
  O     -3.46435252     -3.50686661      0.48384536
  H     -4.40072593      4.08607811      0.41332824
  H     -4.56094796     -0.52355574      0.16095159
  O     -5.20166149     -1.22399776      0.34906590
  H     -3.70498802      0.73608029      6.16862083
  H     -4.68990691     -2.03902558      0.40690171
          69
 Energy    -249.03902188339691     
  O     12.30705595     11.29744493    -14.38092274
  H     13.10668984     11.83395067    -14.41126234
  H     19.92298534      7.42325975    -15.44483891
  O     15.58722269      6.71255163    -13.25807579
  H     12.38642400     10.66292694    -15.10832160
  H     15.60864077      9.65625129    -14.72097969
  O     17.87112996     10.05553651    -11.75752067
  H     15.34021964      7.56946384    -13.64357707
  H     14.15129187      9.16285029    -14.82863963
  O     16.60620901     10.87946274    -15.68268615
  H     15.01628676      6.59935545    -12.48899222
  H     10.49117910     10.17558427    -12.07595468
  O     12.31918945      6.57906676    -15.71615976
  H     17.99048507      9.94077187    -10.80657040
  H     11.70533663     10.42245148    -12.99893001
  O     15.37647026      8.85402069     -8.47866599
  H     16.98935757     10.43235239    -11.88344477
  H     18.17928187      6.82317725    -10.91364417
  O     13.86366591      6.79930991    -11.07712748
  H     16.66345554     10.13936279    -16.29864044
  H     18.14860706      7.62403745     -9.59917741
  O     15.28318007     10.97403329    -12.24966432
  H     17.45603761     10.92166558    -15.21578058
  H     11.66856817      8.07942717    -12.86236385
  O     16.80958538      8.30464218    -16.88516427
  H     11.65040408      5.96120800    -15.99868086
  H     12.52506446      6.88539489    -12.40410808
  O     15.57341080      6.03274996     -8.99411399
  H     12.17026212      6.73724406    -14.76609671
  H     18.72019567     10.54003651    -13.37150344
  O     15.18203136      6.26355936    -15.98662791
  H     15.34616279      7.88991722     -8.51740415
  H     19.19079299      9.79141089    -14.63984770
  O     19.14871455      7.94711347    -15.25347457
  H     14.68239406      9.16868321     -9.07221747
  H     18.05389852      8.35121528    -12.40653679
  O     14.92210435      9.16749786    -14.24759780
  H     14.36182698      6.41207270    -10.34692951
  H     17.27022616      7.10133697    -12.91128753
  O     11.37629344      9.87420090    -12.26455840
  H     13.80523583      7.74838588    -10.89506482
  H     17.03200353      9.31296762     -8.78842950
  O     18.01370928      6.74136370     -9.96674637
  H     15.16780916     11.77364616    -12.77392477
  H     18.38442470      9.85379021     -8.26448978
  O     11.93341718      7.18442493    -13.10605937
  H     15.06777728     10.25144916    -12.86330890
  H     15.46806810      8.91679842    -17.95875567
  O     18.94790850     10.66290956    -14.30306382
  H     17.65615267      8.16671949    -16.44581029
  H     14.80651363      9.41806549    -19.25187109
  O     18.15984631      7.44753689    -12.73846965
  H     16.23605204      7.57337766    -16.60141674
  H     12.75789891      9.68695312    -11.01451260
  O     17.96792172      9.45063807     -9.02131636
  H     15.65277784      5.28318150     -8.41055414
  H     14.22752605     10.13784861    -11.03363535
  O     14.65759320      9.31202216    -18.31570739
  H     16.46074160      6.20070157     -9.35889168
  H     15.02355546     13.57165185    -14.78928592
  O     13.60465705      9.56221670    -10.56738142
  H     14.21961532      6.30790795    -16.02517907
  H     15.45652460     12.10591704    -14.99796069
  O     14.86335914     12.68138608    -14.48631078
  H     15.38790465      6.18659219    -15.04490843
  H     12.58307948      8.35591120    -16.13026045
  O     12.88765721      9.27069862    -16.18705206
  H     18.84185013      7.67532129    -14.37173331
  H     13.43776818      9.34085577    -16.98040485
          69
 Energy    -249.03838635662277     
  O     12.56272331     11.25540222    -14.49591791
  H     13.35232998     11.80595551    -14.52734181
  H     15.17686707      5.84254758    -15.09992347
  O     15.62161335      6.28354709    -13.37482444
  H     12.68509103     10.56573928    -15.16467783
  H     18.71124310      9.15442146    -13.14362990
  O     18.07292703     10.55440858    -12.13724569
  H     15.08298249      6.40768484    -12.58112947
  H     18.54885045      8.62783172    -14.58364613
  O     17.55428828     11.75318408    -14.77372930
  H     16.53603766      6.14788075    -13.09711409
  H     14.45971509      8.89391258    -14.93112010
  O     12.13732240      6.51212338    -15.68443251
  H     17.11121846     10.65241082    -12.20066089
  H     15.33079092      7.95237822    -14.02340495
  O     15.53888182      9.08806770     -8.70318176
  H     18.23092743     10.26892786    -11.22910719
  H     10.54172608     10.29400783    -12.28925255
  O     14.01899536      6.86984494    -11.18790314
  H     17.61083839     10.96533039    -15.33060774
  H     11.82321485     10.44265913    -13.13953805
  O     15.33186830     10.79562996    -12.43341781
  H     17.93089460     11.49874504    -13.92294814
  H     18.10992311      7.63379397     -9.84718340
  O     16.47716505      7.17346302    -17.75282851
  H     12.04348074      6.69968374    -14.73228839
  H     18.10094671      6.45530241    -10.85328383
  O     15.47409984      6.21247368     -8.88326915
  H     11.35584030      6.03496666    -15.94927291
  H     11.69369193      8.10402987    -12.88042991
  O     17.41741797      9.18864020    -15.96475875
  H     14.80449518      9.36667269     -9.26593145
  H     12.57234914      6.92632652    -12.40984904
  O     14.88895483      5.82991934    -16.02321333
  H     15.44638635      8.13207784     -8.61004373
  H     18.95431542      5.38843148    -12.93972111
  O     18.93492273      8.41478768    -13.72507071
  H     14.42371958      6.51307902    -10.38783933
  H     18.59866442      6.89281350    -13.05000060
  O     15.21706349      8.86062916    -14.33259959
  H     13.91093032      7.81917057    -11.03127386
  H     18.60472575      9.86255267     -8.75265111
  O     11.41293872      9.92923247    -12.42087807
  H     15.27461602     10.08287368    -13.09208705
  H     17.18709675      9.45114179     -9.20704461
  O     17.91198673      6.69368056     -9.93734763
  H     15.16075024     11.61152983    -12.91733657
  H     15.11026172      9.90898605    -18.79626995
  O     11.93275757      7.19097399    -13.08234683
  H     16.93032083      6.53602632    -18.29788532
  H     15.27956086      8.46477732    -18.30428290
  O     18.32504390      6.04469150    -12.65333054
  H     15.91584923      6.66578527    -17.13835029
  H     12.76886872      9.73947189    -11.12668386
  O     18.11399428      9.52352371     -9.49743269
  H     15.51694655      5.53784024     -8.21166725
  H     14.26455970     10.08147408    -11.24050509
  O     14.62221594      9.15873334    -18.46264369
  H     16.37392124      6.30863756     -9.24640895
  H     15.92916471     12.45394107    -14.60959643
  O     13.62089955      9.59968710    -10.69728382
  H     16.64751465      9.12495023    -15.37656498
  H     15.08970922     13.73512132    -14.42230822
  O     15.04108225     12.78328434    -14.38406228
  H     17.25984905      8.53807722    -16.65681946
  H     12.68404855      8.23394240    -16.10165660
  O     13.10984545      9.09826759    -16.15673173
  H     13.93557259      5.97394933    -15.99713308
  H     13.56519810      9.15144601    -17.00886027
          69
 Energy    -249.03765288858676     
  O     11.28480946     10.25116608    -11.25712462
  H     12.01246772     10.69808453    -11.70864483
  H     15.81319404     11.70487867    -15.25084295
  O     13.62213307      7.75550156    -15.10463817
  H     10.70200534      9.91831218    -11.95031678
  H     15.72618430      8.92120385    -12.88475658
  O     17.85723365      9.42984664    -10.19084193
  H     12.98071464      8.47358695    -15.05486165
  H     16.70488446      8.62398862    -14.07008021
  O     17.31810781     10.94273821    -16.27833352
  H     14.42304935      8.06237224    -14.64675709
  H     11.25040723      8.15422061     -8.86512076
  O     11.96167793      9.95912205    -14.78319059
  H     18.46534484      9.97066440     -9.69505259
  H     11.55164335      8.89083858    -10.19390480
  O     13.52710798      5.91021657    -13.00964983
  H     18.35884913      9.05115327    -10.93642269
  H     18.83913982      4.82374137    -11.21942513
  O     15.30865828      9.68734546    -11.28372249
  H     17.80903978     11.57053840    -16.80302091
  H     17.77901089      5.89567806    -10.86552270
  O     15.40958953      9.80321456    -17.82138288
  H     16.68029370     10.51590083    -16.87885882
  H     11.11498294      7.00500548    -11.23611917
  O     18.33521550      8.74752002    -14.86302335
  H     11.15688122      9.60309926    -14.38695234
  H     11.74730030      6.25077865    -12.42493787
  O     14.88948322      7.03581641    -17.41717598
  H     12.48727621     10.35258377    -14.06900756
  H     18.97578455      8.41556709    -13.16611861
  O     17.35444012      6.45738566    -16.04410429
  H     14.40521992      5.52471440    -13.12983328
  H     18.96411378      7.25825049    -12.13335349
  O     14.95784081     12.04037216    -14.95985231
  H     13.42008729      6.51240142    -13.76045824
  H     16.97453821      5.46860942    -12.88550632
  O     15.83947934      8.41454792    -13.69686057
  H     16.17582586      9.73782231    -10.86188129
  H     16.12623652      6.60155892    -13.50728691
  O     11.66610691      8.04936034     -9.71639390
  H     14.89069099      8.86662461    -10.98403376
  H     15.88431784      6.85576931     -9.92062317
  O     18.30012673      5.51431515    -11.59537385
  H     15.25963753      8.85073556    -17.79053421
  H     17.16724696      7.68931539     -9.70643907
  O     10.93486188      6.67880620    -12.12690771
  H     14.56191617     10.22268265    -17.62646482
  H     12.43507458     11.73671324    -17.43458697
  O     19.12152240      8.20454002    -12.23403303
  H     18.10347382      9.52685323    -15.38386709
  H     12.57995637     10.74630278    -16.25776430
  O     16.26312731      5.64156883    -13.51492667
  H     18.11968467      7.95804636    -15.38467934
  H     13.97117154      6.77988085    -11.41407905
  O     16.82505800      6.78677007     -9.70988234
  H     14.36513775      7.22301870    -16.61967391
  H     13.34605605      7.47686674    -10.17395091
  O     13.06397613     11.18316206    -16.97817297
  H     14.40375564      6.38819843    -17.92177077
  H     14.13134028     10.68849581    -12.20927815
  O     14.18417972      7.24815570    -10.59613874
  H     16.58317141      6.60834580    -16.60326892
  H     14.03825783     11.56811932    -13.47847654
  O     13.50415523     11.12999166    -12.79895777
  H     17.02800691      5.97936342    -15.27079686
  H     10.21205439      8.02565589    -12.96840795
  O      9.86015249      8.85238802    -13.34486997
  H     14.36083883     11.89572267    -15.70366327
  H      8.92101423      8.72857823    -13.45130599
          69
 Energy    -249.03747974598019     
  O     18.21567595      9.87428530    -14.70737240
  H     18.43379780      8.93596418    -14.72253092
  H     13.06646998      8.61492482    -11.70119240
  O     15.09169910      4.20433015    -16.19870513
  H     17.83335829     10.03595030    -13.83163197
  H     15.74912877      8.96900107    -13.56780224
  O     12.63631752      8.05850783    -13.30222088
  H     15.75475054      4.90539474    -16.33422614
  H     15.35445198      8.43172683    -14.99393351
  O     11.58302314      7.41281229     -9.44422849
  H     15.30045710      3.50679627    -16.81423910
  H     19.49992553      6.64016489    -14.20608986
  O     12.69628169      5.76378436    -16.22994761
  H     13.55192837      8.13754935    -13.61636918
  H     18.01968293      6.72131389    -13.77705051
  O     16.40073070     11.16640730    -16.25054600
  H     12.39682576      7.12698832    -13.37608756
  H     12.14663390      9.35722218    -14.55186278
  O     16.85872588      6.21881926    -16.54205878
  H     11.48725475      7.72457619     -8.54771443
  H     12.29081826      9.45556288    -16.07472848
  O     15.44935394      8.60622233    -16.82149193
  H     12.20654981      8.02064707     -9.87190483
  H     13.47466322     11.11365323    -14.73918578
  O     11.34105186      5.04191779    -10.79012579
  H     13.48527961      5.21241839    -16.29950803
  H     14.94305527     11.53197712    -15.00456162
  O     14.16685308      4.53544349    -10.60025504
  H     12.34090050      5.60231557    -15.34729300
  H     11.77846570      5.17435405    -12.61484686
  O     14.78853547      4.26994762    -13.39555140
  H     16.80447762     11.87161114    -16.74924856
  H     13.08213207      4.94942380    -13.42124269
  O     13.42827917      8.91699448    -10.85202445
  H     17.11262952     10.74226347    -15.73731584
  H     12.26018693      8.12971842    -18.24571621
  O     15.24821858      8.29382029    -14.04493071
  H     16.41348506      7.05032305    -16.75779225
  H     12.69300117      7.31443920    -17.00510655
  O     18.65545676      7.00980616    -14.45294760
  H     17.55624391      6.44491807    -15.91675583
  H     14.30497070     12.31232401    -11.32426323
  O     12.17847393      9.99141540    -15.28142524
  H     14.52969451      8.54905462    -17.11294062
  H     14.30036482     11.54152640    -12.66501484
  O     14.22076102     11.61345472    -14.37399208
  H     15.71035070      9.53562087    -16.79830668
  H     16.06445394      6.94989967    -13.30880253
  O     12.18932264      5.32173533    -13.47521118
  H     11.37284702      5.88771358    -10.31118392
  H     16.33118920      6.49697142    -11.86214167
  O     12.75816744      8.18671646    -17.43475226
  H     10.61482302      4.54519481    -10.42177205
  H     17.10734697      9.57962562    -11.59333539
  O     14.43040123     11.44629537    -11.70225176
  H     13.20522190      4.61106144    -10.58557179
  H     16.04411149     10.60563295    -12.07908564
  O     16.57334143      6.31417962    -12.77798452
  H     14.39199711      4.23078835    -11.48816501
  H     16.84342585      8.02713895    -10.02865475
  O     16.75319978     10.02355734    -12.37711562
  H     15.47381035      4.92015522    -13.18365388
  H     18.11648186      8.55702599     -9.34566839
  O     17.56187124      8.67541788    -10.11190970
  H     14.89058542      4.08562775    -14.33764045
  H     14.98635073      6.10967739    -10.26572108
  O     15.42040527      6.97466426    -10.28827303
  H     13.75172143      9.81140354    -11.00638696
  H     14.73899932      7.63644034    -10.46779200
          69
 Energy    -249.03734297001483     
  O     16.78913737      8.13310035    -15.67718108
  H     16.15513785      7.41725503    -15.51416487
  H     20.51566906      5.78009476    -14.67656402
  O     20.67563883      7.35988548    -10.32083832
  H     17.46551561      7.77616416    -16.26602316
  H     18.71244675      3.64441270    -13.20061894
  O     14.64769425      8.96339956    -10.15808187
  H     21.35523952      7.72687565     -9.76171826
  H     19.34133938      4.90559341    -12.57772740
  O     12.98368245      9.39773626    -13.72940110
  H     20.01302508      8.06005404    -10.45254248
  H     16.02750314      9.59455793    -15.00386186
  O     18.68779287      6.75044461    -17.20335950
  H     15.16429624      9.56121105    -10.72089858
  H     15.66129409     11.09332017    -15.06150370
  O     12.38987282      6.40137309    -11.71590831
  H     13.72017358      9.11368478    -10.37116726
  H     17.29591456      6.99172903    -12.87154086
  O     18.94045083      5.12209840     -9.73260987
  H     12.87195138      8.51372012    -14.10032158
  H     17.60828615      7.98114941    -14.01325247
  O     14.87185304      6.20142241    -10.37354357
  H     13.85561332      9.70876888    -13.99795289
  H     12.46354221      6.47782068    -13.45159963
  O     20.31399832      6.42640652    -12.95050301
  H     19.33981067      6.31630384    -16.62425146
  H     11.70176105      6.33983392    -14.79117189
  O     16.69105739      5.61919494     -8.32305677
  H     19.12342236      6.90485271    -18.03737725
  H     16.11896154      8.71294688     -9.02425964
  O     16.29217334      5.52208439    -12.61742395
  H     13.18142218      6.16623531    -11.21481545
  H     16.92168781      7.52406996     -8.46220413
  O     20.34725077      5.39133031    -15.54554712
  H     12.14892383      7.29095874    -11.42655178
  H     18.06306869      3.50872693    -15.51166920
  O     18.73248537      4.17492576    -12.39412938
  H     19.56378614      5.84526817     -9.87013078
  H     18.82533750      2.17650219    -15.32421594
  O     15.59415962     10.31275862    -14.51554669
  H     18.88793177      4.64001772    -10.56728650
  H     18.05815117      8.88415097    -10.07217104
  O     17.88117935      7.71908596    -13.12707350
  H     14.83014751      7.16907153    -10.32888724
  H     18.28856014      8.63797300    -11.60950882
  O     12.52059785      6.64569434    -14.40994638
  H     15.39507422      5.91117174     -9.61626489
  H     15.51403934      5.76441146    -14.18347480
  O     16.99702002      8.45146257     -8.71429265
  H     20.66255268      6.71528298    -12.09916475
  H     14.21100654      6.17763617    -14.92300861
  O     18.73921499      3.05912882    -14.97384024
  H     19.50572071      6.94275285    -13.09508473
  H     17.51942081      5.21719107    -16.88899608
  O     18.62292356      9.10745337    -10.83087331
  H     16.70245927      5.11886556     -7.51189815
  H     16.25507635      4.91356904    -16.06651808
  O     15.14983254      5.99889407    -15.05167054
  H     17.51027514      5.39876871     -8.80195191
  H     11.31649975      9.78955599    -11.04470169
  O     17.01053652      4.49545861    -16.50147650
  H     17.04728331      4.94730111    -12.43965329
  H     12.36365531      9.35381297    -12.09924745
  O     12.04377661      9.19178570    -11.19273673
  H     15.80318705      5.68323091    -11.79861679
  H     17.14557896     10.33044542    -11.49592472
  O     16.23712204     10.56979609    -11.70983826
  H     19.94570693      4.53057895    -15.37607661
  H     16.13204895     10.47696632    -12.66394672
          69
 Energy    -249.03674867992018     
  O      2.05894892      2.29487538      0.07824145
  H      2.67729080      1.61137804      0.36673306
  H     -0.93545693     -1.98840351     -1.50902624
  O     -2.90923958     -1.19939877      2.09811614
  H      1.69353081      2.72900452      0.86063916
  H      0.65289841      1.08198020     -0.09957824
  O     -2.17507850      2.21835215     -0.52541950
  H     -3.15420623     -0.83302343      1.23702982
  H     -0.08332938     -0.27678431     -0.40477988
  O     -4.27796610      1.33924853      4.82059473
  H     -3.72254461     -1.25216183      2.61533841
  H      0.97118064      2.14624072      3.63462777
  O     -1.11802824      0.46698665     -3.68151523
  H     -1.96887964      2.65352632     -1.36091141
  H     -0.06401993      1.14846907      4.16630852
  O      3.43487373     -0.08016398      0.77690464
  H     -1.44479615      1.60561487     -0.33178496
  H      1.66936506      2.83486130     -1.64542954
  O     -1.31305564      3.23971047     -2.96563654
  H     -4.52484595      2.10257285      4.28508733
  H      1.56712534      2.15338029     -3.02818595
  O     -5.61524687      1.03548867      1.45364597
  H     -3.34850002      1.17617427      4.60396220
  H      0.61652910     -0.21326505      1.62541033
  O      0.72721607      3.55923986      2.26209074
  H     -0.16101223      0.39711951     -3.78854284
  H      1.19602409     -0.01396688      3.04486031
  O      1.72772429      0.46623950     -3.83340542
  H     -1.29601287      1.39963897     -3.51449832
  H     -2.03880222     -0.78872046     -2.93708140
  O     -3.72590197     -0.05597380     -0.34158851
  H      2.71890335     -0.35858835      1.37424353
  H     -2.91224319     -2.05616724     -3.10778068
  O     -0.10727615     -2.01108268     -1.01664071
  H      4.25459258     -0.33991510      1.18917770
  H     -2.08397533      0.13336846      3.07807383
  O     -0.13807949      0.55692564      0.08144507
  H     -0.35027888      3.22517130     -2.81058642
  H     -1.86166901      1.66669615      3.01986505
  O      0.88460434      1.34923441      4.16963621
  H     -1.49309899      3.98977534     -3.52509819
  H      2.82307849     -0.80130083     -0.91177484
  O      1.33030380      2.95429301     -2.54225187
  H     -5.66743420      0.34662697      2.12807569
  H      1.59370200     -1.55124911     -1.49337588
  O      1.22031700     -0.60061356      2.27535976
  H     -5.09791490      0.65398698      0.73273685
  H     -4.99362114     -0.11328933      4.12372981
  O     -2.50274503     -1.49665623     -2.45296543
  H      0.91890848      4.45243327      2.54091400
  H     -5.86317094     -1.39380033      4.13620033
  O     -1.79829884      0.89557033      3.59924300
  H     -0.23892063      3.50076120      2.18388738
  H     -2.11382376      2.94463288      1.08660446
  O      2.40255461     -1.07553035     -1.73350927
  H      2.27107818      0.23794879     -4.58275564
  H     -2.93024726      3.38979918      2.32284760
  O     -5.30511444     -0.85835978      3.57922300
  H      2.01954420     -0.09709805     -3.09420193
  H     -1.41803705     -2.28666839      1.82914660
  O     -2.03122626      3.22582156      2.01083499
  H     -3.41981157     -0.61285513     -1.06705850
  H      0.10858159     -2.17426396      2.01816549
  O     -0.57730581     -2.69899998      1.58651261
  H     -3.27307659      0.79416702     -0.44383543
  H     -5.42877081      3.95039705      2.69113811
  O     -4.75070304      3.28126692      2.73345727
  H     -0.28747470     -2.39008037     -0.14173145
  H     -5.07915818      2.51955143      2.22201494
          69
 Energy    -249.03671632390004     
  O     11.91296162     11.18665273    -14.25254435
  H     12.56716862     11.88968243    -14.33671505
  H     14.91667174      5.99668820    -14.93520702
  O     15.53822409      6.73166199    -13.33453642
  H     12.13455841     10.54226910    -14.93962304
  H     15.19753540     11.14523842    -17.15875036
  O     17.84282295     10.93145785    -12.64985827
  H     15.39210734      7.61688218    -13.70449044
  H     16.33898923     11.37979188    -16.15572515
  O     17.49658812     10.25950473    -15.26879408
  H     15.02722413      6.69963863    -12.51745972
  H     14.31874139      9.24638611    -14.93601444
  O     11.90222360      6.69798331    -15.48835560
  H     18.11284771     10.47674118    -11.84451476
  H     15.85523166      9.54027071    -14.79470361
  O     15.96217544      9.23287393     -9.00025452
  H     16.91971211     11.18289819    -12.50705296
  H     10.39095203     10.20878171    -11.69260696
  O     14.00386866      6.98744948    -11.04576729
  H     17.74370390     10.51305368    -14.36453652
  H     11.47485041     10.39403928    -12.78015775
  O     15.05932130     11.28787275    -12.54729993
  H     17.98443089      9.46000443    -15.49333068
  H     18.32973815      6.68932712    -11.69753313
  O     16.15350151      7.55311005    -17.34843153
  H     11.10584485      6.22970095    -15.72337145
  H     18.40302002      7.80949991    -10.63194475
  O     16.04358081      6.36405409     -9.22746871
  H     11.86325128      6.85072434    -14.52629984
  H     11.54177284      8.11643165    -12.56748758
  O     18.62999923      7.72460753    -15.82165316
  H     15.92130838      8.27190206     -8.92167175
  H     12.50957365      6.97522642    -12.21202804
  O     14.60124205      5.83073821    -15.83334732
  H     15.14862320      9.49957374     -9.44773873
  H     17.19713698      6.33090336    -13.46481871
  O     15.54065699     11.78455960    -16.52428653
  H     13.94867575      7.94692784    -10.92378463
  H     18.23699722      5.19842441    -13.63007514
  O     15.07386000      9.20114755    -14.33675942
  H     14.60376701      6.65875304    -10.36489844
  H     17.51539391      9.57344712     -9.74196506
  O     11.24440189      9.89279257    -11.97678596
  H     15.01911410     10.50306019    -13.11810976
  H     18.97397209     10.04716557     -9.55208928
  O     18.23872244      6.86476891    -10.75553219
  H     14.74050876     12.01597186    -13.09320996
  H     15.21005128      8.87611851    -17.91066209
  O     11.82344746      7.23416485    -12.83942605
  H     17.01080488      7.57016459    -16.91318476
  H     14.56341227      9.59108299    -19.12096946
  O     18.14961434      6.14723915    -13.56597088
  H     15.61672240      6.89738626    -16.87745165
  H     12.82824234      9.82992610    -10.96823062
  O     18.38584354      9.62786792    -10.17537367
  H     16.24886033      5.71250567     -8.56272439
  H     14.24169297     10.36767935    -11.24675373
  O     14.61834168      9.60676416    -18.16960714
  H     16.84217255      6.47005941     -9.77517795
  H     14.11430291     13.94603424    -14.71948535
  O     13.74500252      9.76455656    -10.67369426
  H     18.52396887      7.18944505    -15.02007366
  H     14.59700168     12.59540900    -15.29326996
  O     14.09564151     13.00547200    -14.56563752
  H     19.50534893      7.54430873    -16.15716607
  H     13.33141091      9.35835638    -16.87200808
  O     12.84256908      9.27515064    -16.04325312
  H     13.65589693      6.02044126    -15.80393091
  H     12.49235105      8.37719116    -15.97769092
          69
 Ord_Energy   -249.036530    
 O    3.55496454     -0.233069405       1.63173056    
 H    3.25212121     -0.413318902      0.745530665    
 H    2.98775268      0.476126969       1.98261249    
 O    9.44314575      -2.93056774       5.11394119    
 H    10.1487637      -3.44945407       4.73795700    
 H    8.81665230      -3.55835462       5.51636839    
 O    4.01558304       2.78796220       8.15326691    
 H    4.63841915       2.04578424       8.15904713    
 H    3.16026115       2.39022112       7.95482922    
 O    9.16382313      -1.51286757       7.64316988    
 H    9.41855812      -1.94652021       6.82029152    
 H    8.89238167     -0.618674159       7.39387417    
 O    6.43677282       2.92336774       2.73200440    
 H    5.55700302       3.02143002       3.13367248    
 H    6.51401281       3.60415149       2.06778812    
 O   0.261688501       1.01316941       4.94685888    
 H  -0.594610274       1.40755033       5.09496641    
 H   0.780355752       1.15853834       5.75600386    
 O    7.53056097      -4.42507458       6.37254477    
 H    7.50359011      -4.17161846       7.30257559    
 H    6.74307394      -4.02192640       5.97889519    
 O    4.96890116       4.55242062       6.33349705    
 H    4.95726585       5.43687296       6.68892193    
 H    4.62547541       3.96661067       7.03171253    
 O    3.47803330      -1.72364450       3.99588680    
 H    3.43861818      -1.33233953       3.11567593    
 H    2.57939768      -1.80010200       4.34879732    
 O    5.58820963      0.531588972       7.74682808    
 H    6.50138283      0.615530610       7.43693876    
 H    5.42313623     -0.391736954       7.97018957    
 O    1.97519958       1.09416687       7.08676672    
 H    1.96608186      0.259793371       7.57255316    
 H    2.71136832       1.01094687       6.45885277    
 O    2.02448153       1.70933998       2.76480174    
 H    2.63189197       2.34365296       3.16917825    
 H    1.38398790       1.47593725       3.44703650    
 O    4.12020302      0.665726960       5.38198948    
 H    4.73726606      0.558948874       6.11814451    
 H    4.00175667     -0.179954439       4.93398333    
 O    5.52002287      -2.72602320       5.44700193    
 H    6.20914555      -2.10300374       5.17207003    
 H    4.76017094      -2.55251527       4.87509537    
 O    6.36459541      0.111064889       2.30408311    
 H    6.46380329       1.06772089       2.39402723    
 H    5.45105934      -3.51193398E-02   2.03402066    
 O    1.08659077      -1.73369229       5.32022381    
 H   0.687928259     -0.869003713       5.16242456    
 H    1.38946187      -1.73295796       6.23636436    
 O    2.19290042      -1.56897998       8.03806591    
 H    3.13394356      -1.80312026       8.08429718    
 H    1.76614654      -2.04310536       8.74842930    
 O    7.40001106      -3.10348368       8.96186447    
 H    8.04008389      -2.49587750       8.54827881    
 H    7.78615904      -3.38287187       9.78761768    
 O    8.03581905      0.797138512       6.55325460    
 H    7.84414816      0.206310272       5.80795622    
 H    7.93128681       1.70141542       6.22531080    
 O    7.46368074     -0.994465768       4.54808855    
 H    7.16567898     -0.680243492       3.68141937    
 H    8.21261406      -1.59564543       4.45888519    
 O    7.39834118       3.23545170       5.44908094    
 H    7.22112799       3.13040709       4.50690556    
 H    6.64505434       3.72213292       5.80354691    
 O    4.91065836      -2.17514348       8.05299664    
 H    5.06099892      -2.39208913       7.11877537    
 H    5.67369699      -2.52822971       8.52756691    
 O    4.06957865       3.08059096       4.12207890    
 H    4.12137318       2.20152497       4.53421640    
 H    4.26934671       3.71500564       4.82160282    
          69
 Energy    -249.03652250951893     
  O     12.11841396     10.22760037    -14.71542400
  H     12.59087389     11.06541339    -14.78915061
  H     15.30474785     10.65354871    -17.41657761
  O     16.69572163      6.64144268    -12.94380454
  H     12.01721755     10.03575257    -13.77456584
  H     14.91520297      8.54923908    -14.91475886
  O     17.63840686     11.09689883    -11.65847326
  H     16.16537838      6.34383960    -12.19449874
  H     15.91136001      8.02142096    -13.83721686
  O     18.19789098     11.70981554    -16.27604033
  H     17.39259628      7.20673537    -12.58281828
  H     10.97961222      9.23566308    -11.63768685
  O     13.17354362      5.74474215    -14.81363797
  H     16.88111783     11.23678366    -12.24898364
  H     12.25735048      8.48842433    -12.08308336
  O     15.42152911     11.26510004    -13.24636991
  H     17.27756470     11.06489553    -10.76488999
  H     17.59558605      8.02076172    -10.26420912
  O     16.72223858      7.13531191    -17.44433218
  H     18.75727364     12.24981267    -16.82904995
  H     16.62039185      8.83195553     -9.39042406
  O     15.17961658      6.09704106    -10.63205797
  H     18.57371058     11.75341139    -15.37887569
  H     13.70733938      6.64348867    -11.65177830
  O     18.08393196      8.95394390    -15.78583842
  H     13.20185284      6.60247163    -15.27454932
  H     13.07614685      6.45383878    -13.05833560
  O     15.96846279      5.41565305    -15.39044740
  H     12.46474764      5.24434010    -15.21032086
  H     19.84576397     10.69592844    -13.85385175
  O     20.22687191      8.78344994    -14.08481830
  H     15.48823944     10.38790762    -13.65439711
  H     18.86370692     11.53234144    -13.01477769
  O     15.43061049     11.50348777    -16.97795409
  H     14.89250989     11.81323925    -13.83635147
  H     19.24582402      8.46563170    -12.52283224
  O     15.68429706      8.78638001    -14.38273059
  H     16.45599112      6.45706655    -16.80587520
  H     18.20461193      9.35785851    -11.81675978
  O     11.84977316      9.37027264    -12.00411160
  H     17.36948039      7.68516627    -16.98522185
  H     16.03104176     11.17518660     -8.47735256
  O     16.88942797      7.93138665     -9.61136745
  H     15.20282393      5.31808999    -10.08234407
  H     15.33444857     10.68723861     -9.77127506
  O     12.99554593      6.94202644    -12.23048108
  H     15.73409854      6.76589350    -10.19170904
  H     15.56091715      8.28274631    -17.98297866
  O     19.38493148     11.54307736    -13.82841713
  H     17.24559683      8.89332673    -15.30290229
  H     14.70118798      8.88064305    -19.12301400
  O     18.53287476      8.44861145    -11.87340250
  H     18.15713945      9.86731459    -16.09031260
  H     14.46400027     11.01119373    -11.70717708
  O     16.16507126     10.64998948     -9.26129061
  H     16.35849818      5.72634653    -14.56290121
  H     13.22660345     10.30742774    -11.13869790
  O     14.90122803      8.96874171    -18.19500801
  H     15.01970180      5.38098012    -15.22065889
  H     13.53297081     13.41550212    -15.34518391
  O     14.01918032     10.78906095    -10.87738005
  H     20.95643474      8.30555316    -14.47013579
  H     14.33003903     12.18525469    -15.84693712
  O     13.77117692     12.52038337    -15.12136991
  H     19.49399732      8.74192559    -14.72383193
  H     12.88219496      8.92271484    -15.57757637
  O     13.40951777      8.19613045    -15.94670774
  H     16.36497283     11.57588950    -16.74854785
  H     13.79378730      8.48089437    -16.78385376
          69
 Energy    -249.03609715245813     
  O     13.46664525     13.54985635    -14.50578815
  H     14.17177907     13.92671558    -15.04357631
  H     18.40621481     11.35764900    -15.38272221
  O     17.67606376      6.93907398    -13.87648267
  H     13.21920690     12.72101925    -14.93652828
  H     15.69621023      9.41127549    -19.55431976
  O     19.55840035     11.28802769    -12.04443349
  H     17.51384805      7.25943221    -14.77147069
  H     15.49764736     10.19307742    -18.23661069
  O     17.46477994     14.24899279    -14.03975852
  H     16.93504913      6.36074079    -13.65721082
  H     16.86645979     10.21405787    -12.83894331
  O     15.26930748      5.58747624    -13.15273908
  H     19.14937671     11.64405962    -11.24828939
  H     16.23863740     11.64169030    -12.74370819
  O     16.13876389      9.66675793    -10.05945753
  H     19.19273252     10.39431691    -12.11915964
  H     12.95927958     10.28113441    -16.25275352
  O     14.75616084      7.54033865    -11.34515680
  H     18.23404948     13.71242867    -14.26797718
  H     13.33022029     10.55384134    -14.78284562
  O     13.58395863     13.63433939    -11.80665705
  H     16.90815363     14.29385651    -14.82589959
  H     17.38888400      8.96930104    -11.36588898
  O     13.03524965      8.74047785    -17.21671292
  H     15.10197006      6.20582111    -12.41844739
  H     17.90621357      8.22381874    -12.66116428
  O     16.81646616      8.28280083    -16.28854829
  H     15.06397205      4.71396727    -12.83161459
  H     15.41353605     13.47843500    -11.73428815
  O     14.41415567      7.41819121    -15.11776800
  H     16.76462513     10.36456162     -9.83283922
  H     16.74421670     13.69442293    -12.54027969
  O     17.60097821     10.87177896    -15.59239427
  H     15.31178941     10.12580907    -10.27664904
  H     20.54899757     12.65593387    -14.70235757
  O     15.50544894      9.30341806    -18.62568908
  H     15.23439217      8.08370138    -10.70792876
  H     19.65138848     12.04612091    -13.60170478
  O     16.24315806     10.82596174    -13.25863159
  H     14.32257786      8.17166023    -11.93186885
  H     17.96035420     12.58062077     -9.10344315
  O     13.19791855     10.98806911    -15.63492472
  H     13.49382558     13.62038533    -12.77649864
  H     17.27874156     12.50651030    -10.48930425
  O     17.99127218      9.02068822    -12.11805088
  H     12.97786449     14.29573584    -11.48404796
  H     16.26871614     11.40767910    -16.62408489
  O     16.34525899     13.23337868    -11.78558733
  H     13.35191300      8.13491930    -16.53221069
  H     14.70167514     11.42834195    -16.58535574
  O     19.64413936     12.44134666    -14.49290768
  H     13.76444302      8.81974732    -17.84263626
  H     13.64461153     11.85091012    -11.10573746
  O     17.82007844     12.00697886     -9.85260062
  H     16.46121298      8.43616596    -17.17220650
  H     13.53903644     10.43722179    -11.68911291
  O     15.47472263     11.65774856    -17.12334407
  H     17.21168590      9.12505564    -16.02156479
  H     15.56221418     14.94068844    -16.95153781
  O     13.77391730     10.92038839    -10.88767909
  H     15.25811717      7.70875168    -15.49357430
  H     15.59671630     13.41975522    -16.68526177
  O     15.63815241     14.28970874    -16.25756142
  H     14.60913142      6.66784316    -14.54308206
  H     13.98735127      8.73710212    -13.96239021
  O     13.87697291      9.47075761    -13.34003001
  H     17.06821195     10.88636621    -14.78023734
  H     14.72382420      9.94748290    -13.30396894
          69
 Energy    -249.03579273801398     
  O     15.99218374      6.11047280    -13.27657022
  H     15.22958905      6.13484962    -12.68514604
  H     20.80969039      7.55687248    -14.44693362
  O     17.44891754     10.08980679    -11.58435018
  H     16.75176963      6.47632851    -12.80213021
  H     15.56253269     11.51898082    -16.36552282
  O     17.44438934     11.53400032    -16.22712692
  H     17.29706660     10.05406053    -10.63199860
  H     14.47670747     10.52574618    -16.84041350
  O     13.56724201      6.10169596    -16.75001719
  H     16.60039329     10.30538837    -11.99896056
  H     15.78885918      7.67081972    -14.22347063
  O     14.27443300      8.75553086     -8.87871029
  H     17.89301498     11.16375670    -15.44767693
  H     16.78791621      8.35950402    -15.15926105
  O     13.71928534      6.40999296    -11.70498085
  H     17.95349937     12.29774651    -16.48891290
  H     10.61072935      9.64116078    -13.90820384
  O     15.10223586     10.42988794    -12.97383896
  H     12.96315102      5.47498581    -17.13917965
  H     12.01252143     10.28009260    -14.00708383
  O     17.23147131      9.25180617    -17.96876440
  H     13.20519507      6.33156491    -15.87563109
  H     17.71689509      6.91508626    -10.33397575
  O     14.79210232      5.93540980     -9.15617639
  H     13.78200909      8.97334770     -9.68125544
  H     17.28737456      7.80176160     -9.15396153
  O     18.15323237      7.41712765    -16.16577553
  H     14.33018799      7.79215966     -8.85577992
  H     12.25300379      7.74095026    -14.16936282
  O     16.27827352      5.40921055    -15.97595920
  H     14.00562436      6.09531450    -10.83820174
  H     12.90515668      6.54141275    -13.44895866
  O     19.93631682      7.85727199    -14.21165167
  H     13.54161043      7.35500304    -11.59469863
  H     18.40048671     10.47776253    -13.18321756
  O     14.60897504     11.41057020    -16.47170102
  H     15.41313891      9.79310258    -13.63828723
  H     19.27844081      9.66420040    -14.14737785
  O     15.95187764      8.49764065    -14.69781640
  H     14.48199875     11.01987135    -13.41421525
  H     18.85223684      7.44918545    -12.73740364
  O     11.53300071      9.48897775    -13.71446102
  H     17.35396090     10.07605220    -17.48107572
  H     17.88232637      8.33436487    -11.92529576
  O     17.31656534      6.88536584     -9.45488333
  H     16.29080339      9.04202820    -17.89752893
  H     15.89476072      9.41197319     -8.83443848
  O     12.60843202      6.85625972    -14.31120976
  H     14.77641781      5.21991251     -8.52649035
  H     17.01767926     10.14717392     -8.06469738
  O     18.76333721     10.47661497    -14.07777653
  H     15.72547699      6.19306533     -9.26531857
  H     13.93504198      9.57856278    -11.88527595
  O     18.14908795      7.41602803    -12.07772495
  H     17.55915054      6.65211867    -16.19712230
  H     12.44457967      9.24769084    -12.04472344
  O     16.83484627      9.66460936     -8.86646403
  H     17.95292076      7.99020278    -16.91925279
  H     12.78483720     12.68796094    -14.29284259
  O     13.19097968      9.14276048    -11.44400517
  H     16.18443654      5.45571320    -15.01354602
  H     13.54649912     11.67880746    -15.18921399
  O     13.00972363     11.76562405    -14.37890686
  H     15.39721758      5.57758873    -16.32912160
  H     14.14154297      7.85419736    -17.21355962
  O     14.56862942      8.71038959    -17.10244033
  H     19.35119498      7.63883915    -14.96051275
  H     14.99660402      8.65921702    -16.23307327
          69
 Energy    -249.03575470064416     
  O     14.20012985      9.83686383    -17.26608144
  H     13.58116275     10.18217277    -17.90373957
  H     15.05473849      3.26583056    -13.12210706
  O     15.77084936      6.59435847    -12.04283431
  H     13.81914303     10.00659996    -16.38525355
  H     20.72859560      7.35628276    -11.86645199
  O     19.38772648     10.36588483    -13.12202372
  H     15.56573270      5.68598129    -12.28813286
  H     19.60111559      7.20102206    -12.91336420
  O     20.28752811      7.61443979    -16.62201832
  H     16.01216835      7.03851179    -12.87236419
  H     17.44336115      8.63652506    -17.45571613
  O     13.46832112      5.91655102    -14.85227132
  H     19.03610217     10.77851809    -12.31636209
  H     18.52528156      7.54949518    -17.45399695
  O     15.46335638     11.94746561    -10.00113766
  H     19.65610705      9.47910904    -12.85278419
  H     15.98571371      7.57579754    -15.16184766
  O     13.73186112      8.37265810    -11.47154187
  H     20.15909380      8.55501011    -16.39792778
  H     16.57900921      8.72624837    -14.28999370
  O     16.77176202     10.47557476    -14.12068818
  H     21.09849285      7.55791454    -17.11916550
  H     12.69628450      9.38119992    -14.43183332
  O     17.41907240      4.27066289    -15.00964930
  H     14.01991270      5.28729037    -14.37446658
  H     13.60930822     10.56195879    -14.04821442
  O     15.23883228      9.33428803     -9.26652857
  H     13.99965777      6.25487612    -15.58608478
  H     18.39888099      7.98962042    -10.95916496
  O     18.95966121      6.53124890    -14.44139767
  H     15.20336842     12.56652404     -9.32484654
  H     16.92663508      7.56336857    -10.99975636
  O     15.22779983      4.16966871    -13.37262502
  H     15.35568510     11.05513749     -9.62402787
  H     12.50011912      7.11347912    -14.06107985
  O     19.88595540      7.71231010    -12.13821738
  H     14.40402810      7.69423704    -11.63264135
  H     11.07679056      7.57240933    -13.66343954
  O     17.60472143      7.70910750    -17.68381505
  H     13.01945697      8.19227347    -12.09675362
  H     19.67112062     10.36885173    -15.01388080
  O     16.51071569      7.76607866    -14.37522409
  H     16.07728701     10.69705818    -13.48713813
  H     18.87508028     10.40731922    -16.34692866
  O     13.16032802     10.14608043    -14.79420022
  H     17.62777936     10.51051098    -13.67513659
  H     17.24488127     11.47566798    -10.58461155
  O     17.53862947      8.17223025    -10.56228542
  H     17.38151871      4.26871377    -15.96447688
  H     17.81126820     10.05246604    -10.72033006
  O     11.99622358      7.82094802    -13.61966846
  H     18.04668637      4.97006498    -14.77393123
  H     14.82791928     11.39605906    -11.68389766
  O     19.72380755     10.16503260    -15.95683721
  H     14.57351588      8.96809000     -9.86474023
  H     14.32409746      9.99664291    -12.10343152
  O     18.02047151     10.98404313    -10.87391840
  H     16.06685706      8.89518327     -9.49867063
  H     16.06899823     10.31033784    -17.16717509
  O     14.60170667     10.85680321    -12.45088956
  H     19.48472224      6.83956567    -15.19233617
  H     16.89366034     10.49421793    -15.89314102
  O     16.97866555     10.36296918    -16.85069900
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  H     15.96957889      7.20817087    -17.16229263
  O     15.09999075      7.20963806    -16.73272960
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  H     14.68911485      8.05167044    -16.97037785
          69
 Energy    -249.03560978377664     
  O     15.05078646     12.19582534    -11.67396933
  H     15.19970183     11.75782814    -12.52395640
  H     18.97199950      9.49082832    -12.56144701
  O     14.88956785      6.91715918    -14.81846440
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  H     17.13598553      8.03550800    -12.82830235
  O     16.36794908      5.97956593     -9.79186215
  H     15.35549108      7.27790519    -14.04590986
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  O     18.96642405      7.66223261    -12.72562971
  H     14.97709790      5.95722468    -14.77255481
  H     13.34418965     11.92955687    -11.47472674
  O     11.96495650      6.50274587    -10.15492969
  H     16.11500228      6.91259146     -9.77130220
  H     11.91158969     12.36849071    -11.08369980
  O     12.56531247      7.89359797    -13.60981946
  H     15.54607945      5.47511250     -9.80758493
  H     13.95114503      4.03711317    -13.17074750
  O     15.60658732      8.63253537    -10.09945411
  H     19.16898710      7.27537758    -13.58728274
  H     13.57156905      4.13962520    -11.66753672
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  H     12.37113480     11.03461824    -13.32422528
  O     11.08192267      5.67404121    -12.75648498
  H     12.28023481      7.40376323    -10.30507512
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  O     19.21423646      6.38754404    -15.21866583
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  H     19.21182962      4.96663180    -10.50449430
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  H     15.28081408      3.47875336    -15.17366256
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  H     13.21116694      5.30955873     -9.88281485
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  H     13.64445086      4.02563952     -9.14045838
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  H     10.30873330      5.20283841    -13.05335607
  H     16.79133493     10.75566371    -14.87493262
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  H     11.81656001      5.03279536    -12.73799605
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  O     13.89392575      4.61570423     -9.84750092
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  O     17.67431861     10.67140432    -15.27869802
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  H     17.77079087     10.78937446    -11.14912633
  O     13.02642630      8.95112431    -11.04347350
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  H     14.39148719     10.60224085    -14.15359246
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  H     15.56156245      9.76384075    -13.52142208
          69
 Energy    -249.03559078126079     
  O     -5.99441479     -1.01109876      0.69591540
  H     -6.46664775     -1.76622244      0.35623495
  H     -4.92801948      0.09956108      3.41000032
  O     -2.95001208      4.80873222      5.07440708
  H     -5.07551574     -1.09029791      0.37750440
  H     -1.24853675      2.46880145      0.21038893
  O     -7.97857587      3.42417671      0.68169817
  H     -2.97824545      4.07353662      5.69907564
  H     -1.41262539      1.38731244     -0.87557645
  O     -2.64336060      0.83828332     -2.20108792
  H     -2.17453490      4.66011110      4.52006098
  H     -5.72402804      5.33878482      1.95943153
  O     -1.34444701     -0.57189022      1.49473454
  H     -8.70437976      3.40784106      0.06292905
  H     -6.73124382      4.88240458      0.89024674
  O     -4.27717445      2.64541800      2.00386327
  H     -7.31013459      2.79956804      0.34859770
  H     -2.62903871      0.04077093      2.60446502
  O     -5.26329586      4.68468915      3.62304646
  H     -3.25345529      1.59600384     -2.16517180
  H     -2.54384984      0.84832608      3.91257744
  O     -5.96891473      1.72625047      0.06151096
  H     -2.43843860      0.69339664     -3.12088245
  H     -5.68181528      0.92025216      5.11531763
  O     -3.05348221      2.43646145      6.69433501
  H     -1.08942274      0.20027721      0.96419449
  H     -6.08916838      2.25868374      5.76010144
  O     -4.38453929      2.89087470     -1.93132333
  H     -0.68617112     -0.67152532      2.19450673
  H     -2.54139108      4.59097196      0.34587565
  O     -3.47544719     -1.06936579     -0.23460639
  H     -4.66162599      3.28439926      2.61905079
  H     -2.88201620      3.44755037      1.30788314
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  H     -3.91568708      1.90181824      2.50389296
  H     -7.60424991      3.09278863      4.56780353
  O     -0.90175726      1.62021312     -0.08952609
  H     -4.46324571      4.83986769      4.14697835
  H     -8.03796512      3.98963619      5.75681617
  O     -5.97393393      5.46149455      1.03282336
  H     -5.96303661      4.42430649      4.23317873
  H     -0.97108243      2.45149651      4.31327091
  O     -3.16853378      0.47534879      3.28000965
  H     -6.05541220      0.77505003      0.19237702
  H     -1.70778549      1.90266811      5.57052517
  O     -5.45139115      1.53542890      5.81981304
  H     -5.35631430      2.05084246      0.74193828
  H      0.07043026      4.44076017      3.23114785
  O     -2.13907312      3.96674404      0.95987389
  H     -3.07584759      2.41168262      7.64728713
  H     -1.22140671      4.05642966      2.48037792
  O     -7.27490751      3.63883778      5.30706211
  H     -3.90252664      2.07183394      6.38619716
  H     -7.94453957      2.50918927      2.35700260
  O     -1.14126926      1.65153505      4.82876164
  H     -5.01502609      2.48840690     -1.31794866
  H     -7.21914135      1.38519906      3.16220279
  O     -0.78831361      4.04162167      3.34985281
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  H      0.67969321     -1.05398076      4.42196197
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  H     -3.24014419     -0.47522980     -0.95762261
  H     -0.12236314      0.23920481      4.21238608
  O      0.29898450     -0.49888091      3.74571941
  H     -2.71581420     -1.06851082      0.36340575
  H     -3.85988490      6.27474249     -1.15754874
  O     -3.87959912      5.43966716     -0.69793401
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  H     -4.63497898      5.47921170     -0.08373063
          69
 Energy    -249.03542706841770     
  O     -2.69017888      1.09495233      3.56042191
  H     -2.59055574      1.28825063      4.50507651
  H     -4.20883749     -1.17406409      4.57399181
  O     -1.24427634      4.01028044      6.44576320
  H     -3.29490100      0.34809140      3.48351980
  H     -1.88658245     -3.19770400      8.17852606
  O      0.77208527     -1.44150110      1.59470893
  H     -1.41087099      4.85453477      6.85567839
  H     -1.34169843     -2.83904943      6.77443731
  O      3.27254155     -0.17960338      1.96921482
  H     -1.10650556      4.18077640      5.49643270
  H      0.33661136     -0.39707638      6.76393531
  O     -1.25707242     -0.80009502     -0.26356903
  H      0.52910577     -0.76396711      2.24706982
  H     -0.83009367     -0.88220143      7.64916961
  O     -2.66305185     -2.16742198      1.61122617
  H      0.22825509     -1.26209496      0.81824043
  H      0.33182426      3.01143595      7.01711441
  O     -2.35407813      3.07592823      1.70876396
  H      2.52977492     -0.76258092      1.76665484
  H      0.62447697      1.58159634      7.49989767
  O     -0.83450350      4.33719500      3.79882627
  H      3.07566415      0.64684130      1.51125808
  H     -3.24217614     -1.54149915      6.71552957
  O      1.40754994      2.85612547      3.25411907
  H     -1.83468506     -1.23993095      0.38575967
  H     -3.48181565     -0.05802271      6.36857200
  O      2.34080122      2.19708923      0.68704322
  H     -1.50131724     -1.14128539     -1.12002723
  H     -0.91150068      0.61952598      3.45945899
  O     -0.31339451     -3.23658396      5.44417745
  H     -2.03314756     -2.77187215      2.02315209
  H      0.49275626      1.29922339      3.38734699
  O     -4.38402999     -1.15928213      3.61565819
  H     -3.27184227     -1.89040664      2.30603573
  H     -0.10205082     -4.47617342      2.25672904
  O     -1.85841098     -2.50079847      7.52891134
  H     -2.53454334      2.37063009      2.35410108
  H      0.07665928     -2.94171904      2.28947117
  O     -0.32118173     -0.09893656      7.41047018
  H     -3.19970996      3.36975959      1.37879166
  H      3.41821162      1.49995010      5.22474741
  O      1.04909675      2.41144780      7.25267109
  H     -1.40427687      4.07930369      3.06741361
  H      2.44305720      2.37337168      6.07081665
  O     -3.84067344     -0.94667255      6.24605140
  H      0.01773040      3.91147679      3.61819909
  H      3.74224530     -0.23028839      3.66034919
  O      0.03682685      0.44807096      3.45052637
  H      1.84988478      2.75073072      2.40507567
  H      4.80894240     -0.60083753      4.71654093
  O     -0.46332425     -3.67529834      2.62954387
  H      2.06292321      2.76324722      3.96395075
  H     -0.66703541      0.97828250     -0.02843541
  O      3.06645604      2.39061345      5.32848725
  H      1.40615021      2.06864191      0.44295715
  H     -0.96550476      2.33582265      0.64146589
  O      3.91730088     -0.27848223      4.61710889
  H      2.72696416      2.75102607      0.01396050
  H     -2.08658273      2.37933237      6.39731180
  O     -0.29726477      1.85338633      0.13974491
  H      0.35989562     -2.54063873      5.43846025
  H     -1.61559019      0.92597215      6.63800031
  O     -2.33698466      1.45574234      6.26815902
  H     -0.45240967     -3.46951279      4.52028517
  H      2.26999816     -0.83886270      5.23455292
  O      1.33200454     -0.99754560      5.39004422
  H     -5.33164411     -1.19865872      3.51462386
  H      0.85096072     -0.47448267      4.73028157
          69
 Energy    -249.03535259916134     
  O     16.77581269     10.29910849    -14.37219381
  H     17.62731031      9.88438428    -14.57074494
  H     13.10487012     10.17371386    -10.30739174
  O     15.29911039      6.09779667     -9.86651759
  H     16.39475831      9.83190575    -13.61091732
  H     19.19275724      4.35449122    -15.78024803
  O     12.75726062      7.12957747    -10.66610676
  H     15.64331472      6.14450920    -10.77405776
  H     17.87094094      5.15632027    -15.83887509
  O     14.89175321      8.85900516    -15.85165381
  H     15.61152340      5.27618585     -9.49597954
  H     15.92666557      7.48056265    -12.31125509
  O     19.27494783      9.13352593    -14.67671421
  H     12.73473366      7.98348790    -10.21673082
  H     15.53137346      6.29713644    -13.21170573
  O     20.30418843     10.91885763    -12.74543861
  H     13.55458203      6.68829080    -10.35023807
  H     19.10910668      8.30572777    -16.32725340
  O     18.74511344      6.80612653    -13.24611830
  H     15.30559093      8.53514904    -16.66166418
  H     18.99809276      6.80376768    -16.62427371
  O     12.01119575      6.95273190    -13.26199068
  H     15.53767107      9.44154545    -15.42874679
  H     17.27487530      7.76958761    -17.69216593
  O     15.11104097     13.04808888    -12.22168361
  H     19.11057739      8.33611111    -14.15006897
  H     16.34445630      7.84884313    -18.92596942
  O     12.68421589      9.59009737    -14.18115880
  H     19.77402191      9.74469549    -14.12262260
  H     14.86344179      9.67130142    -12.04396288
  O     13.46542023     10.83623779    -11.88540512
  H     21.01908447     11.54024366    -12.63153741
  H     16.27754160      9.45471734    -11.42258479
  O     12.98346131      9.69395263     -9.46948625
  H     19.48277008     11.40246539    -12.56311307
  H     17.38205915     11.46870721    -13.04412562
  O     18.80385868      5.19683130    -15.56047806
  H     17.83776830      6.67133658    -12.93811072
  H     17.62242235     11.37117267    -11.49617253
  O     16.08743226      6.53333233    -12.45843393
  H     18.87434616      6.18492492    -13.97430638
  H     16.90956064      9.66642491     -9.56182091
  O     18.88453711      7.67468958    -17.02430626
  H     12.26346151      7.00341793    -12.32277324
  H     18.22133267      9.48467395    -10.41375251
  O     16.34609550      7.71703937    -17.98171350
  H     11.14023323      6.56566695    -13.29110855
  H     13.52460719      6.44916431    -14.20695793
  O     15.68486383      9.17340460    -12.13370274
  H     15.06754132     13.84193482    -12.75069332
  H     14.56843342      7.24175080    -15.03143224
  O     17.73638772     11.94047019    -12.27503576
  H     16.04816853     12.81265884    -12.17741679
  H     19.40989568      7.87572656    -11.79130039
  O     17.46859628     10.07096388    -10.24159606
  H     13.34675651      9.42811407    -14.86403694
  H     20.00197932      9.29516437    -11.65697528
  O     14.38645318      6.37639458    -14.63516388
  H     12.36717173      8.72028312    -13.90729112
  H     15.55375977      7.82759131     -9.03146714
  O     19.58984313      8.58065007    -11.15673663
  H     13.96122622     11.65366609    -12.03108972
  H     14.72308532      9.11429342     -8.89331138
  O     15.60309878      8.74710904     -8.74340830
  H     13.11139737     10.51900487    -12.73061770
  H     15.52772510      5.49057547    -15.79918786
  O     16.23405950      5.29743874    -16.43012516
  H     12.38637300     10.21466429     -8.93865205
  H     16.20348148      6.01543701    -17.07446402
          69
 Energy    -249.03525584530621     
  O     -1.41809768      3.68812828      2.66171072
  H     -1.04772108      2.89563498      3.06773983
  H     -0.52592227      8.31634010      0.97104503
  O     -2.99091621      5.99905742     -0.42627456
  H     -1.95910501      3.41301279      1.90760111
  H      1.95562123      1.47747842      1.40659254
  O      4.34467684      5.68835739      1.28743302
  H     -2.16765583      6.05375953     -0.93677225
  H      0.66043986      1.14203392      0.61687551
  O      1.98163681      6.89709426      2.24373034
  H     -2.86979313      6.59235809      0.32440775
  H      1.00566672      8.24689898     -0.88708883
  O     -0.53646831      5.90810891     -1.61703621
  H      4.03467024      5.79404296      0.36865565
  H      1.49358501      8.74432485     -2.27081196
  O      1.78824712      3.53349440     -0.83050191
  H      5.25740434      5.96351702      1.30288701
  H     -1.58885765      1.12412646     -4.10270627
  O      0.32413038      5.06023469      0.89490015
  H      1.81496406      6.67543337      3.16934191
  H     -1.68413900      2.51160345     -3.42173649
  O     -2.24882770      7.74549386      1.67017462
  H      2.84416223      6.53543916      2.00365549
  H      1.22892898      2.76969034      4.02404917
  O     -0.40661086      1.80793349     -0.80104176
  H     -0.25434586      5.58381011     -0.74870054
  H      2.34853702      3.32680778      3.12270008
  O     -1.35896458      6.22953798      3.72710983
  H      0.05911012      6.63427228     -1.83611411
  H     -4.03203569      5.37866004     -1.77372060
  O     -2.62612102      3.25128170      0.26116021
  H      1.12785014      2.87026920     -1.06162617
  H     -5.12496015      5.46668112     -2.86083216
  O      0.36583689      8.55368157      0.69287387
  H      1.34041229      4.09004473     -0.17093531
  H     -2.68147194      4.52144876     -3.35677655
  O      1.16323075      0.92917048      1.41479698
  H     -0.20876512      4.58244485      1.54150436
  H     -1.22337221      4.78372248     -2.93693319
  O      1.35041173      7.95770787     -1.75201472
  H      0.85311819      5.71027597      1.37340142
  H     -0.34576006      0.66286231      4.20873873
  O     -1.73226761      1.55083216     -3.26262816
  H     -2.78325293      8.44616468      2.03624490
  H      0.32126565      1.16246180      2.90259125
  O      1.87666082      3.48026531      3.95116641
  H     -1.93152127      7.21955800      2.42629041
  H      1.51178391      5.05809513      4.52575016
  O     -4.39464177      4.93331188     -2.55736775
  H     -0.77142637      1.54829079     -1.65591869
  H      1.62243889      6.09879531      5.66723024
  O     -1.77188740      4.24598323     -3.52359753
  H     -1.09418024      2.34092406     -0.37939105
  H      3.76229337      3.84394528      1.54044955
  O     -0.10932873      1.45092491      3.72842248
  H     -0.50819921      6.24026528      4.17878296
  H      2.80703927      3.11320947      0.60318632
  O      1.30248191      5.97678312      4.77789781
  H     -1.49299152      5.31078276      3.45038156
  H     -4.36026941      3.02804015     -2.12460601
  O      3.22168926      3.04731086      1.47643954
  H     -3.22753326      2.76857941     -0.32308371
  H     -3.42327375      1.81917121     -2.32535905
  O     -4.13361534      2.16003451     -1.76696173
  H     -2.75435324      4.18978938      0.07394596
  H      2.79064600      5.06349919     -1.29983700
  O      3.27136890      5.89478739     -1.18511779
  H      0.96799075      8.10616539      1.30464305
  H      2.66551942      6.60412623     -1.42933871
          69
 Energy    -249.03481527896884     
  O     -1.39724609      3.86213893      2.66543625
  H     -0.88089143      3.05079490      2.73033176
  H     -0.49804441      8.47219672      0.90963110
  O     -2.69670661      6.05426565     -0.68195951
  H     -2.07458021      3.71579182      1.98915156
  H      0.25742598      4.30598874     -2.15022840
  O      4.41242243      6.42163951      1.53845309
  H     -2.64254006      6.67480401      0.05552226
  H     -0.18735033      3.11928302     -3.02839212
  O      1.94963014      7.21297660      2.38322030
  H     -1.82151341      6.06455219     -1.09872100
  H      1.60891112      9.01381381     -2.24544139
  O     -0.09881458      5.95145363     -1.54339893
  H      4.51080757      5.47426138      1.68150484
  H      1.10534480      8.48468335     -0.87946060
  O      2.47372611      3.83637363     -0.44423048
  H      4.27971468      6.52638530      0.58344545
  H     -2.25189093      1.40279952     -2.89702955
  O      0.56064533      5.21468968      1.01019572
  H      1.81151209      6.87728519      3.27643213
  H     -1.87627362      1.01211789     -1.45910726
  O     -2.19845913      7.77711027      1.52667266
  H      2.86460234      7.01157194      2.13211494
  H      1.57112151      2.85048025      3.16342662
  O     -0.73002449      1.97636223     -0.20906644
  H      0.10765356      5.75562295     -0.61444011
  H      2.94032648      3.52388158      2.98796913
  O     -1.29044556      6.39748177      3.70055498
  H      0.40602096      6.73964207     -1.77847396
  H     -3.42757874      5.08815637     -2.19276207
  O     -2.97400605      3.54035378      0.45307718
  H      1.82445761      4.26318499      0.13736241
  H     -4.16363517      3.74476292     -2.36207200
  O      0.39780916      8.73722906      0.67490202
  H      1.97733509      3.51894984     -1.20701306
  H     -1.83431489      2.88977546     -4.99941550
  O      0.43521181      3.37035838     -2.33589643
  H      1.01928981      5.91350712      1.49703428
  H     -2.38908529      3.45859854     -3.67217691
  O      1.47645031      8.21654913     -1.74056794
  H     -0.07463261      4.80625819      1.60668603
  H      0.04807938      1.70103957      1.38997943
  O     -2.54585564      0.87721740     -2.14120528
  H     -2.79859820      8.44805726      1.84441109
  H      0.27226907      0.73288209      2.57102726
  O      2.15739796      3.50902914      3.55296967
  H     -1.86775441      7.31278229      2.31574645
  H      1.69969144      5.86312709      5.62363652
  O     -3.62825515      4.39540293     -2.83367428
  H     -0.25041304      2.42923406     -0.91603096
  H      1.61815265      4.98771552      4.35326400
  O     -1.74026114      2.83938658     -4.05183468
  H     -1.49507073      2.53028007      0.00414451
  H      4.99161823      2.95788818      1.43110837
  O      0.32218878      1.65253046      2.32119398
  H     -0.44366382      6.36600114      4.15862513
  H      3.69635107      3.55031774      0.83314570
  O      1.34401333      5.83862262      4.73931546
  H     -1.46488137      5.47639601      3.45582761
  H     -5.55044185      1.73019267     -1.29120744
  O      4.25246574      3.52715841      1.63035287
  H     -2.90135761      4.42596670      0.06763253
  H     -4.03548584      1.65212474     -1.60673245
  O     -4.74520122      2.23979718     -1.29074743
  H     -3.69013663      3.08838716     -0.00781787
  H      3.24544646      5.54425236     -1.05590712
  O      3.65302092      6.41557563     -1.12680604
  H      0.97789194      8.33698359      1.33958593
  H      2.95154579      7.02869082     -1.37583981
          69
 Energy    -249.03468950079747     
  O     14.60914246     10.60416406     -8.54848522
  H     14.69806839     10.44971309     -7.61218747
  H     11.34969045     13.61390953    -12.74141707
  O     10.99783566     11.15366338    -14.94298875
  H     15.02988550     11.46298472     -8.73391746
  H     15.76132657     14.36090435    -16.24049125
  O     15.09137398      8.91401501    -10.80193834
  H     10.86208339     11.95494197    -14.41892562
  H     16.43212179     14.81490637    -17.56083522
  O     18.44607593     13.96479160    -13.00908345
  H     11.31561763     11.43506656    -15.81149043
  H     13.09942551     14.23972497    -10.97945069
  O     12.35487932     11.25323484    -10.15203993
  H     14.19694661      8.80596219    -11.15101095
  H     12.42409753     12.81357017    -10.89049323
  O     12.53441026      9.08178810    -11.96105750
  H     14.99730977      9.43811246     -9.99706536
  H     11.63841363     14.31235503    -14.98559949
  O     13.59368186     10.39596404    -14.15722202
  H     18.25674485     13.46391619    -13.82445523
  H     12.18352801     13.78027666    -16.32513478
  O     14.53177757     15.28883361    -10.39267896
  H     19.37118694     14.19294473    -13.03213485
  H     15.37862107     12.46227767    -12.48884230
  O     10.14275270      8.95913951    -13.40118367
  H     12.31530921     10.50191491    -10.75836635
  H     13.89431455     12.95851895    -12.41557280
  O     14.77473588     14.69943263    -14.83822792
  H     13.04324056     11.03534266     -9.51240404
  H     17.41183317     13.05210818    -15.89254974
  O     14.90089490     11.59606461    -17.23242529
  H     11.65322132      8.88268906    -12.30211842
  H     17.27083093     11.72051770    -15.12302553
  O     10.72891114     13.56093586    -13.48779378
  H     13.00538641      9.48057452    -12.70798562
  H     11.96214037     12.02971523    -18.17860247
  O     16.29177610     14.05790191    -16.99924747
  H     13.94353288     11.21095895    -13.76140010
  H     13.17712155     11.87637777    -17.23868203
  O     12.51575300     13.61789245    -11.42976444
  H     12.71582557     10.60409571    -14.49682111
  H     16.41266211      9.18583127    -11.87759582
  O     12.19578801     14.54650677    -15.73822157
  H     14.47439774     16.12204721     -9.93199947
  H     17.84846836      8.77214811    -12.27428744
  O     14.58566224     12.63928824    -13.01021664
  H     15.11814714     15.43541230    -11.15614610
  H     16.62070702      9.82663369    -14.24146723
  O     17.79884919     12.52714630    -15.18112005
  H      9.61575190      8.34935666    -13.91216706
  H     15.24075523     10.16864507    -14.79993799
  O     12.23069734     12.10308898    -17.26634107
  H     10.34957159      9.69495326    -13.99775233
  H     17.56994697     12.69430857    -12.03033194
  O     17.16757118      9.41601559    -12.45083396
  H     14.77645769     13.93021524    -14.24840475
  H     17.13958687     11.19148022    -11.89661659
  O     16.18487671     10.19363642    -15.02041571
  H     13.86864314     14.78594818    -15.16823516
  H     16.97477538     15.16756682    -12.66927835
  O     16.94541532     12.09137123    -11.60633378
  H     15.38535281     11.02450725    -16.62652897
  H     15.65895159     15.50882876    -13.38884680
  O     16.14394131     15.64580087    -12.56384696
  H     15.39603626     12.42449563    -17.27079040
  H     15.32915421     13.76583642     -9.53579295
  O     15.74768031     12.94175226     -9.26495243
  H      9.88698796     13.86967271    -13.16144242
  H     16.25422660     12.63912311    -10.03330599
          69
 Energy    -249.03430405344213     
  O      1.31921079     -0.29268999      6.01037956
  H      0.85025971     -0.21597991      5.16580680
  H     -0.45446450     -2.85611619      2.42916025
  O      4.51445155     -2.23570020      8.00296154
  H      1.68791142     -1.18452425      6.06247189
  H      1.77550694     -4.58048739      3.38890696
  O      6.15367427      0.96952117      5.08581243
  H      4.82740871     -2.66044800      8.79687489
  H      1.84972080     -3.98145978      1.97539323
  O      2.68046927      3.42529533      4.14974532
  H      4.39220452     -1.29257944      8.21618585
  H      3.72772815     -3.43751757      3.31202495
  O      0.17637073     -0.14733935      3.51073107
  H      6.15777321      1.49998930      5.89190787
  H      4.32080180     -2.01066680      3.16778432
  O      1.66021986      2.30184338      0.48405795
  H      6.24706271      0.03281845      5.32345231
  H      1.05243512     -2.03213186      0.88788324
  O      3.35915713      3.58446813      6.84525510
  H      2.89825126      2.49410735      4.31062641
  H      0.43031769     -3.11880035     -0.01709035
  O      4.16992423      0.39172581      8.47420619
  H      3.17583679      3.65566557      3.35131602
  H      1.34420380     -3.84859494      5.44164567
  O      1.63487613      1.57800387      7.96283355
  H     -0.33785533     -0.96846871      3.49706084
  H      0.44439410     -5.09537383      5.59330991
  O      5.76292936      2.49885798      7.39599942
  H      0.76178944     -0.19576035      2.74446743
  H      2.81948358      0.38871234      5.17947216
  O      1.75122392     -0.41193726      1.12358956
  H      1.29419273      2.83879958     -0.21397774
  H      4.31525345      0.82315811      4.91958203
  O     -0.85739690     -2.67752773      3.28870143
  H      1.13019330      2.48319285      1.28188688
  H      0.10306462      1.75253256      3.17778968
  O      2.37813018     -4.42291513      2.65197428
  H      3.10442844      3.71063849      5.92060535
  H      1.01676477      2.99000471      3.38753666
  O      4.27515567     -2.77422970      3.75803096
  H      2.68918349      3.00935891      7.23416758
  H      5.60071961     -2.17555481      4.96974950
  O      0.69134470     -2.93446817      0.88171673
  H      4.79435670      1.06883018      8.18814172
  H      5.66780234     -1.93197382      6.48878853
  O      0.68903312     -4.40192043      4.98554699
  H      3.29497367      0.79514383      8.42030944
  H      7.13126056      1.69547758      2.08947329
  O      3.42206332      0.80165943      4.55146775
  H      0.83639429      1.71295796      8.46677642
  H      6.26946652      1.40156793      3.33607835
  O      0.32253239      2.62279257      2.82275590
  H      1.42597362      0.91933654      7.27830039
  H      3.38914456      2.96441898      1.23169153
  O      6.08643335     -1.69491131      5.65333907
  H      4.93364243      2.96622183      7.18330547
  H      4.78514608      2.79151250      1.88492781
  O      6.23345319      1.54572764      2.37514422
  H      6.31046007      3.11383046      7.87630427
  H      3.19671461     -2.70855362      5.20936342
  O      4.06300860      3.41678293      1.75301616
  H      2.66621104     -0.49640074      1.42943848
  H      3.22889123     -2.65890977      6.76160850
  O      2.63816026     -2.73353647      6.00136122
  H      1.66972160      0.48201931      0.76759642
  H      3.83485306      0.00293419      3.05008293
  O      4.23081565     -0.41781978      2.26788044
  H     -0.43523370     -3.28694013      3.90659964
  H      5.00483559      0.11898667      2.06582217
          69
 Energy    -249.03420042334113     
  O     15.96590243      9.70171581    -16.86532908
  H     15.08388080     10.02530955    -16.64260195
  H     20.82467362      9.55699706    -17.56994135
  O     15.77728383      5.43329134    -12.41283266
  H     15.87845199      9.02048704    -17.54452439
  H     16.26649251      8.36015196    -13.92862908
  O     19.65356214      8.23713459    -14.48653769
  H     15.30888973      6.27192688    -12.34055082
  H     16.56313557      8.76330190    -15.40214647
  O     14.24893345      6.33141969    -16.65225409
  H     15.94130753      5.30775367    -13.35917182
  H     13.99739268     11.07877193    -15.12436897
  O     16.75194516     10.77846723     -9.93174035
  H     18.68396578      8.22310636    -14.54235138
  H     12.87351865     11.27318205    -16.17421192
  O     17.73334462     11.76113366    -13.70795512
  H     19.97146062      8.54315979    -15.34366985
  H     17.78226062      7.32861798    -10.96437930
  O     19.84043197      5.59934746    -13.63684208
  H     14.71729125      6.70849392    -17.40558575
  H     16.59879695      8.16489071    -11.50125768
  O     14.99765166      8.22991591    -12.51891829
  H     14.92884652      5.86634392    -16.14537143
  H     13.60711011      7.44047516    -15.37022947
  O     18.97688762      4.74350519    -16.05303290
  H     17.45208990     11.37326873    -10.22699585
  H     13.31354381      8.93382663    -15.09579858
  O     16.44047450      5.51881000    -15.10971197
  H     17.06801950      9.87936224    -10.09225515
  H     19.20510356     11.42483376    -11.48348197
  O     18.21475072      5.54031169    -11.25283406
  H     18.12668421     10.92649226    -13.41850614
  H     19.69012671     12.67532097    -10.71859429
  O     20.09840145      9.19971520    -17.06669798
  H     17.98167637     12.37725515    -13.01191132
  H     19.60651913      9.30837257    -13.04784335
  O     16.90351326      8.26574857    -14.64614774
  H     19.90199180      6.53826233    -13.86541213
  H     18.65586675      9.24969006    -11.82816902
  O     13.54011124     10.66030103    -15.87776175
  H     19.34296845      5.55255170    -12.81281672
  H     13.64689179     10.81653810    -10.60421839
  O     17.42137226      8.22370119    -10.99824130
  H     14.71508941      9.01691831    -12.03753452
  H     15.19222943     10.76552340    -10.69186624
  O     13.40908134      8.07607157    -14.66683833
  H     14.37179138      8.11751605    -13.25633280
  H     18.70405513      6.21681227    -17.23262976
  O     18.91261472     12.26566109    -11.08926153
  H     19.33967743      4.98782576    -15.18252878
  H     19.05587196      7.68687870    -17.58468622
  O     19.26507042      9.82803549    -12.30821244
  H     19.36608604      3.90579172    -16.28860399
  H     15.86843821     11.71973073    -13.81504124
  O     14.37062802     10.63369638    -11.19738432
  H     17.23933740      5.11696669    -15.46930167
  H     14.67342901     11.39020242    -12.89362757
  O     18.45969328      6.95926213    -17.79783227
  H     16.63229109      6.46334712    -15.01300957
  H     17.46003101     10.72059547    -16.69393129
  O     14.90537847     11.65842492    -13.79059401
  H     18.32058328      4.86967218    -10.58298192
  H     18.17457458     11.49276533    -15.57034871
  O     18.30577886     11.12595414    -16.45179811
  H     17.33162907      5.41004534    -11.64501779
  H     16.85421992      7.28742797    -18.36305933
  O     15.95423383      7.54869701    -18.63094612
  H     19.49071002      9.93975259    -16.88367235
  H     15.90663095      7.43916947    -19.57665464
          69
 Energy    -249.03411427250748     
  O     11.95426619      6.18384077    -11.94226269
  H     12.36764681      6.62999109    -11.18957723
  H     14.48561725      5.94999478    -15.15230426
  O     17.26350699     10.13071865    -14.94534314
  H     12.57624752      5.49938548    -12.21504714
  H     16.62515530      5.71941946    -14.00418881
  O     17.39614557      8.53004247    -12.68219437
  H     16.45371486      9.85016665    -15.39778371
  H     18.13629154      5.90641547    -14.24222551
  O     16.47166832     12.53227333    -13.72601578
  H     17.08457327     10.99644655    -14.55683647
  H     14.32974603      7.81284784    -11.84185649
  O     13.50064080      7.61652871    -10.12572588
  H     17.43883994      9.09058161    -13.46814792
  H     15.59767717      8.25617919    -12.64380037
  O     14.92602350      9.43592840    -16.29088150
  H     17.53488586      7.61545947    -12.96609450
  H     14.66462905     10.12413049    -10.37973687
  O     14.00844014     11.65506275    -14.97106586
  H     16.79377550     13.42360076    -13.83617784
  H     13.34483253     10.45222767    -11.14737255
  O     16.64571271      5.30263183    -17.37096174
  H     16.31072820     12.41290090    -12.77437919
  H     14.36951825      4.52203420    -13.54528348
  O     11.02656953      8.02274237    -13.71652137
  H     13.40009718      8.57148699    -10.01230416
  H     13.81356062      3.33602439    -12.73031862
  O     16.19203325      5.28276197    -11.12591921
  H     14.27871606      7.35409653     -9.61804373
  H     13.53878579      9.53146085    -12.88687260
  O     13.45938908      7.41313321    -15.03520433
  H     14.37250496      8.72218213    -15.94841049
  H     12.03479647      9.60321815    -13.16476933
  O     15.11567692      5.22482735    -15.02624444
  H     14.53428818     10.26561956    -15.97875648
  H     16.14802649      6.35542252     -9.76821822
  O     17.45636000      5.91732732    -13.55325841
  H     14.77154783     12.06765643    -14.55062487
  H     16.33416309      6.59176550     -8.24936126
  O     14.64644052      8.11217764    -12.70253608
  H     13.49236031     11.25738525    -14.25660052
  H     18.29971841      5.70309017    -16.40816187
  O     13.74455862     10.40496618    -10.26682716
  H     16.58628561      6.24071221    -17.62870868
  H     19.10158981      6.97684237    -16.08283221
  O     13.98539056      4.27443886    -12.68833410
  H     16.64625640      4.79552467    -18.17843858
  H     16.44529960      8.75280437     -9.71235154
  O     12.79018960     10.14773549    -12.91301127
  H     11.29268984      7.34689986    -13.06631176
  H     16.97373487      9.21738768    -11.08086463
  O     16.02161393      7.00304328     -9.05053479
  H     10.08634824      7.92809607    -13.84115824
  H     17.50162164      8.28059851    -17.64414943
  O     18.98154747      6.05508741    -15.82247058
  H     15.39740244      4.90386151    -11.51903262
  H     15.98335366      8.51078435    -17.50528879
  O     16.55188508      9.53338521    -10.26773564
  H     16.79318758      5.43916519    -11.86598760
  H     15.07853516     12.07469063    -10.75378624
  O     16.64312826      7.94758589    -17.93243854
  H     12.53071594      7.57261684    -14.83410768
  H     16.41419049     11.34603403    -10.71474759
  O     15.98384838     12.13645401    -11.07202893
  H     13.93124839      7.60372908    -14.20591760
  H     18.49652385      9.35136297    -15.99017697
  O     19.03008385      8.82597323    -16.60897021
  H     15.60782273      5.13448097    -15.85218091
  H     19.76358845      9.37554665    -16.87381688
          69
 Energy    -249.03406836608445     
  O     17.13906351     12.22368220    -13.11496175
  H     16.64814053     12.82234566    -12.54017952
  H     11.02398973      9.14854855     -9.77953501
  O     11.32050277     11.51512563    -14.36152658
  H     17.51567169     11.55812607    -12.52515953
  H     15.02571750      7.28980072    -10.13619698
  O      9.66088502      9.63950481    -12.92292720
  H     11.77091811     11.04441954    -15.07357570
  H     14.41152875      7.25172073    -11.55028771
  O     13.58162718     12.59326756    -13.29979598
  H     10.75018996     10.87708236    -13.91791688
  H     12.03776241      7.20158671     -9.01424932
  O     15.36082641     11.08089798    -14.87327770
  H      8.73107005      9.84737411    -12.88287485
  H     11.61642087      7.81470878     -7.66094159
  O     15.59436662     11.15656640     -9.91463885
  H      9.99779547      9.68013417    -12.00877434
  H     14.61237824     13.37414278    -12.04486358
  O     17.21146107      7.91951553    -12.22938283
  H     14.21253560     12.10658825    -13.84915233
  H     15.15644375     14.53645590    -11.18654156
  O     14.28185929      4.99321751    -13.16314453
  H     12.70115533     12.38960342    -13.65035973
  H     13.10786373     10.83423102    -17.20607633
  O     17.95112747     10.28767256    -11.17961340
  H     15.50735068     10.12986594    -14.75837431
  H     13.92099788     10.68781770    -15.90542814
  O     13.48810181      8.32090634    -12.63381484
  H     16.07324085     11.52256502    -14.38802345
  H     12.01939973      5.43379201    -10.73414739
  O     11.50857865      4.93724341    -12.48836325
  H     15.51091175     12.06598398    -10.22894495
  H     13.36406608      5.93906425    -10.18995175
  O     10.77650660      9.76570722    -10.47739624
  H     16.41761608     10.82237894    -10.29790895
  H     15.07549622      5.35058941    -16.21650707
  O     14.95353903      6.73611815    -10.92983927
  H     16.58579188      7.40171637    -11.70950485
  H     14.55718360      5.61128995    -14.78328182
  O     11.92180748      8.04165371     -8.53587395
  H     16.77869924      8.06622124    -13.08128603
  H     13.14352244      7.10256850    -15.99821798
  O     15.28199358     13.61094571    -11.38074611
  H     14.68560520      5.39648638    -12.38685033
  H     12.66443675      8.56748960    -16.17176050
  O     13.10379915     10.41098121    -16.34987912
  H     13.35021032      4.86615093    -12.94127249
  H     11.41485974      7.44769432    -14.55686973
  O     12.44679425      5.77310404     -9.93894459
  H     17.72856486      9.41594593    -11.55174119
  H     10.48446371      8.09529992    -13.46452542
  O     14.68575531      6.01833950    -15.65875508
  H     18.82091595     10.20812484    -10.79693062
  H     13.81810474      8.55691411     -8.70324653
  O     12.35969705      7.66558290    -16.01289055
  H     12.63531843      7.99987406    -12.94754126
  H     15.02379065      9.47334729     -9.04424031
  O     11.05555787      7.34277837    -13.66097908
  H     13.34719591      9.14735909    -12.15257069
  H     14.79643617      8.39794107    -13.81679924
  O     14.76482398      8.55778912     -8.89207224
  H     11.26924223      5.77992227    -12.91226968
  H     15.40713598      7.60764325    -14.99328500
  O     15.54517370      8.38156743    -14.43560620
  H     10.84298460      4.30233070    -12.73984767
  H     13.28679229     11.36588732    -11.99300677
  O     13.23164143     10.70045162    -11.29587591
  H     11.60036058     10.22147127    -10.70444259
  H     14.03336869     10.78094686    -10.76378729
          69
 Ord_Energy   -249.034027    
 O    2.47514701      -1.26464355      -3.12694240    
 H    2.22039652      -2.13778067      -2.80423856    
 H    1.64782107     -0.790943623      -3.28429604    
 O   -1.23987997      0.928771079      0.275957674    
 H   -1.37693930       1.12292957     -0.659913480    
 H   -2.04469585       1.22177553      0.722969353    
 O  -0.940165520      -2.25608468      -1.63236439    
 H  -0.841538131      -2.05284643     -0.692587793    
 H  -0.209810987      -2.85103130      -1.84475684    
 O   0.812931657     -0.381093711       3.20005846    
 H   0.273626983     -0.930173039       2.61813784    
 H    1.58796334     -0.149597704       2.67527223    
 O  -0.893857837       3.41876912       2.97151613    
 H   -1.01452875       2.67964625       3.57892561    
 H  -0.142058700       3.17736626       2.41316462    
 O   -1.68114650       4.22240686      -1.25314963    
 H  -0.729307771       4.36734581      -1.17613876    
 H   -2.05415916       4.36773968     -0.375755727    
 O   -3.76223063       1.81652355       1.15960264    
 H   -4.15596581       1.59887302      0.304990739    
 H   -3.57844162       2.76463628       1.18479002    
 O    1.14134479       4.32616758      -1.03150856    
 H    1.73800123       5.03451300      -1.25600445    
 H    1.39952910       3.55540776      -1.57186031    
 O    1.82440102       2.08098221      -2.31144357    
 H    2.60084105       1.58867121      -2.02116895    
 H    1.17095983       1.41792357      -2.56744766    
 O   -2.81123281       4.43499088       1.37322855    
 H   -2.12037086       4.12467480       1.98742020    
 H   -3.16827941       5.23828697       1.74199259    
 O    2.68911219      0.291629076       1.09247732    
 H    3.20380569      0.330273122      0.275985748    
 H    2.14920330       1.09528375       1.09616315    
 O   -1.07546914       1.04841042       4.53030539    
 H  -0.911975503       1.00525689       5.46917391    
 H  -0.347594082      0.566051006       4.09958506    
 O   0.938858151       2.47985578       1.08211195    
 H   0.194567800       1.93564379      0.782711506    
 H    1.06764340       3.16866446      0.418039918    
 O   -2.08240104       1.74263418      -2.29930139    
 H   -2.99496174       1.49037158      -2.11785340    
 H   -1.97638083       2.66790056      -2.02658939    
 O    3.91153383      0.327832818      -1.46084857    
 H    4.82422781      0.352796525      -1.73592889    
 H    3.45871329     -0.297881514      -2.05469966    
 O    1.53124964      -3.61843729      -1.85834360    
 H    1.85208535      -4.51570368      -1.84381115    
 H    1.75247967      -3.22361755     -0.994099498    
 O   -3.35941696      -1.62268300E-02   3.18993354    
 H   -2.62611270      0.338367194       3.70613098    
 H   -3.61400270      0.675148666       2.56206059    
 O   -4.32772301E-02   6.14456199E-02  -3.00892496    
 H  -0.782165229      0.685874760      -2.97077608    
 H  -0.358154744     -0.733426511      -2.55899358    
 O    1.88997555      -2.38472176      0.517871141    
 H   0.976751029      -2.28617048      0.816655040    
 H    2.29023623      -1.52393425      0.692968428    
 O   -3.65207744      -1.64350283     -0.947699666    
 H   -2.82064009      -1.93150604      -1.34413064    
 H   -3.62830663      -1.92807877      -2.56932899E-02
 O  -0.737828970      -1.62139845       1.13734221    
 H   -1.58650243      -1.96994603       1.43830109    
 H  -0.879353702     -0.702874243      0.853217363    
 O   -3.33032823      -2.32417345       1.82605541    
 H   -3.75748825      -3.02345204       2.31263399    
 H   -3.40332460      -1.51508892       2.36617017    
 O   -4.60286331      0.854360163      -1.35922039    
 H   -5.43946743      0.814830124      -1.81459200    
 H   -4.30312204      -6.52833134E-02  -1.23741400    
          69
 Energy    -249.03396609513376     
  O     -1.78209968      4.77578782      4.06501173
  H     -1.59241906      4.06633668      4.70633649
  H     -2.39051236     -2.62854006      4.33569268
  O     -2.69522232      3.10869105      1.97336350
  H     -2.16186593      5.49780598      4.55782236
  H      0.17417047      2.47426975      2.58133386
  O     -1.00512034      2.78169277      5.73671673
  H     -1.90589362      2.54699684      2.02775511
  H     -0.53991362      1.20234485      3.13549942
  O      0.84660756     -3.54323694      1.86738200
  H     -2.57155491      3.78151493      2.65132005
  H     -1.60507616     -0.33954829      4.08662919
  O      0.35883986      0.34267180      0.07040182
  H     -1.09845155      1.86586093      5.44197474
  H     -0.14286870     -0.25882255      4.60778926
  O     -1.70135081     -1.23995130     -0.92038393
  H     -0.05674628      2.93575129      5.83383862
  H     -0.37582561     -3.63456814      4.84345019
  O     -3.97647085      0.60030208      1.73569170
  H      0.83848906     -3.70578628      2.81861663
  H      0.83077001     -4.50554407      5.26916129
  O     -3.67298854      0.57887241     -1.11622376
  H      1.41646125     -2.77659966      1.72215321
  H     -2.11834595     -4.10150956      1.00090700
  O      0.56822763      2.81385666     -1.24873585
  H      0.54995061      1.06179405     -0.54261434
  H     -0.78938593     -3.37455283      1.31042950
  O      2.13974610     -1.03323436      1.65652709
  H      0.05065789      0.77821079      0.88169221
  H      2.26288357      2.55819164      5.32118785
  O     -2.64808988     -1.41293583      3.02847706
  H     -1.75063241     -1.98958884     -0.31626498
  H      2.34872840      3.76672584      6.28315218
  O     -2.09491863     -3.26129347      5.00953990
  H     -0.94357481     -0.71503669     -0.62516172
  H      4.75745955      1.32692992      1.64654309
  O     -0.34098383      1.69791585      2.33035800
  H     -3.97858559      0.54065370      0.77246553
  H      3.33449325      1.92154312      1.55218605
  O     -0.98253174      0.22047805      4.57020396
  H     -3.70663242      1.50732636      1.92787479
  H      1.24530856     -2.03759210      4.59522608
  O      0.57812739     -3.77339391      4.71290212
  H     -2.98612822     -0.11244457     -1.10278167
  H      1.62996485     -1.10082316      3.41675477
  O     -1.72539921     -3.23623181      1.08270270
  H     -4.29000961      0.34133267     -1.80269318
  H      2.51825370      0.34276643      4.70506807
  O      1.79500388      3.35774520      5.62396496
  H     -0.38771306      2.90805106     -1.08465428
  H      3.37324731      1.21653847      3.76314973
  O      3.85863794      1.19680153      1.93758135
  H      0.72256438      3.12575397     -2.13632854
  H      1.24777412      3.96674706      3.95862659
  O      1.43733049     -1.12077450      4.36619993
  H      2.85021784     -0.38511886      1.73627037
  H     -0.03016269      4.53233981      3.30279413
  O      3.01117225      1.17246035      4.65664796
  H      1.51214663     -0.64191640      1.03080468
  H     -2.36949576      3.17757009      0.13031661
  O      0.83752956      4.15897358      3.10419021
  H     -3.18956064     -0.72444541      2.61316416
  H     -2.64265891      2.16673842     -0.99015132
  O     -2.10086528      2.93338390     -0.76498659
  H     -2.32931181     -1.98640603      2.31985957
  H      1.89981591      3.72782947      1.62475870
  O      2.37908188      3.24611719      0.93768317
  H     -2.67722239     -3.13538430      5.75515466
  H      1.77562036      3.16191083      0.18962071
          69
 Energy    -249.03387668584065     
  O     15.89688931      8.84368310    -16.38330661
  H     16.57509642      8.56738853    -15.75171222
  H     16.46407749      9.99755668    -17.57297238
  O     14.58018011     11.96857769    -14.95926822
  H     15.09480939      8.96467705    -15.86187162
  H     16.02764304     12.24075569    -11.30613424
  O     20.04468490      9.48501961    -11.23177728
  H     14.08338249     11.14388498    -14.90518101
  H     14.68325768     12.78424649    -11.79465262
  O     20.41554329     12.00636404    -12.20255418
  H     15.49619261     11.72674625    -14.74938957
  H     18.36656922     15.90466890    -13.08129160
  O     14.92697163      9.46644346    -12.17183823
  H     20.17875273     10.41327368    -11.48883259
  H     18.93857631     17.22612180    -12.52116722
  O     17.75638192      8.47170493    -14.31503696
  H     20.71167914      9.29107962    -10.57702104
  H     20.26222926     11.61582724    -15.51343732
  O     15.47915239     13.10008626    -17.39426975
  H     20.56441879     11.80136171    -13.13686029
  H     21.50148874     12.39821426    -15.00663279
  O     17.66653696     14.28886914    -16.20294388
  H     20.77914780     12.89323564    -12.06556390
  H     18.34793616      8.74861989    -11.35504127
  O     21.32456211     14.57031388    -12.34136898
  H     15.75468733      9.07933028    -11.87173307
  H     17.49145411      7.55063481    -10.90095080
  O     18.72288558     11.72286252    -16.40511255
  H     14.90432585     10.36605292    -11.81170616
  H     19.19360636     15.35693920    -15.95663634
  O     13.70811270      9.34079699    -14.58310625
  H     18.71958299      8.55831475    -14.38278231
  H     19.77130398     16.12355495    -14.75094139
  O     16.82553210     10.65865668    -18.19026238
  H     17.57099935      8.22855285    -13.40078552
  H     17.22419986     14.62707997    -14.47893966
  O     15.07395237     12.08243809    -11.26347525
  H     15.01794091     12.75703697    -16.61749993
  H     16.07999667     14.69840833    -13.42113208
  O     19.18714972     16.40552795    -12.93945587
  H     15.88751805     12.32500536    -17.79972257
  H     21.39862893     14.72236841    -15.35203065
  O     21.00459775     11.57876722    -14.89164660
  H     18.18382998     13.47507689    -16.27868573
  H     22.91650482     14.48301690    -15.52734797
  O     17.50214821      8.29653345    -11.49738296
  H     16.84769180     14.09427211    -16.68000513
  H     20.47307164      9.00242012    -13.12643215
  O     20.00667795     15.74433413    -15.60665803
  H     21.73246547     14.48227232    -13.21248392
  H     20.79112924      9.75270120    -14.43593769
  O     17.02881617     14.82105922    -13.54975526
  H     20.62933231     15.23174147    -12.44363313
  H     17.27929289     10.24558448    -14.20647541
  O     22.14189323     14.15562126    -15.07777689
  H     18.23538995     11.35019399    -17.14923264
  H     17.32859775     11.59173262    -13.39874628
  O     20.45963337      8.91504615    -14.08595869
  H     18.17111757     11.55379219    -15.62319466
  H     14.33492951     13.34701762    -13.89456111
  O     17.13958332     11.20005140    -14.25999249
  H     14.13764364      9.33790550    -13.70748628
  H     13.50505910     14.54649476    -13.37979723
  O     14.33080673     14.08463486    -13.25943649
  H     12.89897073      8.84548462    -14.49257356
  H     17.57284651     13.44277571    -12.45389468
  O     17.72607310     12.62849703    -11.95380391
  H     16.84933477     10.24364560    -19.04834035
  H     18.67693987     12.46193676    -11.95664361
          69
 Energy    -249.03323117556744     
  O     11.66678983     12.60225675    -13.28075759
  H     10.85069988     13.03984997    -13.50882545
  H     18.87211854     12.27939863    -13.60162912
  O     19.93509633      8.89568285    -10.53669172
  H     11.43520584     11.69210403    -13.02488915
  H     13.79748056      7.95728122    -15.12100362
  O     16.76113102     11.27152251    -11.04164984
  H     19.96593342      8.17745011    -11.18046945
  H     14.05566897      7.31298874    -16.50193252
  O     13.07404907      8.11101053    -13.47802509
  H     19.09329609      8.80340835    -10.07525455
  H     15.43641352      9.63226623    -13.21384737
  O     17.05585004      6.87157601    -11.85306829
  H     16.10371939     10.98686109    -11.69019597
  H     14.61060832     10.95911957    -13.40853462
  O     14.23392813      6.68719904    -11.40689216
  H     16.52166513     12.17440221    -10.79677176
  H     14.98345416      9.77193485    -16.40157439
  O     19.75319289      7.04929518    -12.76977938
  H     13.36877272      7.48552279    -12.79818166
  H     14.93316724     11.23325405    -15.90107691
  O     14.13627831     12.20511091    -14.56778525
  H     13.52630529      8.93730174    -13.26094197
  H     14.45894856      7.91316970     -8.05989800
  O     19.02378986      9.19277255    -14.41954744
  H     16.73525551      7.36377961    -12.62553112
  H     15.44419511      8.42348564     -9.13534463
  O     17.08137964      8.77839362     -9.79070996
  H     17.98158355      6.68840728    -12.04809926
  H     16.87248079     13.58458201    -13.81146921
  O     18.13474306     10.88098932    -16.44654406
  H     14.17264676      7.12360845    -10.54922470
  H     15.98515334     13.98422635    -12.60336452
  O     18.43438538     12.80083186    -14.28556146
  H     15.17603554      6.51920284    -11.53287123
  H     14.81859928     13.62289564    -10.71624891
  O     14.37010661      7.98817581    -15.90629478
  H     20.46004857      6.51047155    -13.11723791
  H     15.85372693     14.59251989    -10.09343473
  O     14.83548439     10.25625268    -12.78102299
  H     19.57471970      7.73385737    -13.43478021
  H     12.66995795     13.03741134    -11.66554185
  O     15.43314994     10.62136674    -16.45992816
  H     13.25583143     12.43310362    -14.24816111
  H     13.15118284     12.11446265    -10.53240737
  O     14.50850013      8.22934396     -8.95849570
  H     14.75916565     12.88645264    -14.26090571
  H     19.65574480     10.33641869    -11.65613775
  O     15.98356424     13.87674599    -13.56006940
  H     18.85955884      9.71634744    -15.21484025
  H     18.36454573     11.13970084    -11.87944736
  O     15.76596347     13.84901577    -10.68329252
  H     19.11663546      9.82209408    -13.68607600
  H     11.56615795      9.26294261    -12.88405450
  O     13.19586619     13.02391839    -10.85806010
  H     16.99995496      9.66610800    -10.16871469
  H     11.75508934     10.06769636    -11.59413660
  O     19.21671761     10.92539325    -12.28520445
  H     17.07322906      8.13882936    -10.51869736
  H     13.83248058     10.23749600    -11.22004882
  O     11.24993593     10.04563845    -12.41950207
  H     18.41098775     11.15940263    -17.31592068
  H     13.58851389      9.59826627     -9.83396940
  O     13.24283553     10.25230260    -10.45192663
  H     17.16478172     10.79947347    -16.47520354
  H     17.29606808      8.67197039    -14.28627855
  O     16.41101059      8.39146822    -14.01895082
  H     18.36122176     12.22300584    -15.05360644
  H     15.88740499      8.17426869    -14.79877701
          69
 Energy    -249.03303487689334     
  O     -1.56170706      4.55284226      4.87804965
  H     -1.18378737      3.83392370      5.41816310
  H     -1.85609017     -3.80327712      1.97593161
  O     -2.82367415      2.79165320      3.08030550
  H     -1.84954329      5.23063953      5.48336131
  H     -0.03811027      1.51776865      1.71000945
  O     -0.33012422      2.53937674      6.20778486
  H     -1.98718074      2.36008597      2.84767656
  H      0.24870310      2.68534409      2.71568633
  O      1.25792957     -3.36650227      0.93872570
  H     -2.58368777      3.47811729      3.71327727
  H     -0.31742733      0.82867926      3.96857302
  O      0.14009169      0.68039028      0.06972550
  H     -0.45375621      1.65208652      5.84439324
  H     -1.25422530     -0.31848873      4.35645561
  O     -2.00285897     -0.94768470      0.52632373
  H      0.60932379      2.73928922      6.10763632
  H      1.25446555     -4.39638456      4.35275495
  O     -4.69145786      0.74858121      2.96613436
  H      1.69064394     -2.50302125      0.93317667
  H      1.18447666     -2.92050959      3.90449724
  O     -4.16100693      0.80814467      0.10469533
  H      1.20200263     -3.63257954      1.86533266
  H     -0.36110421     -3.55051242      0.32787599
  O     -0.28725139      3.28553112     -0.85681831
  H     -0.67147119      0.15269616      0.11291155
  H     -1.38825452     -4.26245452     -0.58652780
  O      2.18954969     -0.69830692      1.20775274
  H     -0.03329080      1.49145268     -0.42187039
  H      2.72672963      2.48118486      5.09823356
  O     -2.51713389     -1.04449485      3.29969286
  H     -1.82770850     -1.86422709      0.27884753
  H      3.01311410      3.62173468      6.10280072
  O     -1.95223758     -3.69851844      2.93048668
  H     -2.11038434     -0.93295230      1.48762505
  H      4.59935169      1.87748934      1.06569435
  O     -0.25926289      1.87757565      2.57641430
  H     -5.49437031      0.99078568      3.42057134
  H      3.13464701      2.34015560      1.22738931
  O     -0.49498402      0.18825511      4.67698005
  H     -4.08107153      1.50030687      3.05942083
  H      1.83948444     -1.03521955      2.98258186
  O      0.82919587     -3.80877711      3.73305619
  H     -3.46348289      0.13875567      0.08999719
  H      0.96332670     -0.75606600      4.25311691
  O     -1.30920386     -3.62166224      0.11447858
  H     -4.52858925      0.75974754      0.99488751
  H      2.90763764      0.27244857      4.25400767
  O      2.34297216      3.26937203      5.52357251
  H     -0.35922610      3.68429682     -1.71985926
  H      3.54853964      1.31281237      3.30550721
  O      3.76670971      1.63938309      1.46543255
  H     -1.17792697      3.31553129     -0.46178799
  H      1.45348709      4.05765554      4.09558916
  O      1.74661077     -1.22587211      3.92803199
  H      1.45313532     -0.27643027      0.73866079
  H      0.03873356      4.58629523      3.77480626
  O      3.33878984      1.13479767      4.23111269
  H      2.87607544     -0.02261146      1.24801429
  H     -2.82332447      3.28969866      1.20698279
  O      0.88066294      4.34419144      3.37033983
  H     -3.40873596     -0.68120680      3.26318948
  H     -3.27319461      2.41236198      0.03924347
  O     -2.74258994      3.19424563      0.25174422
  H     -2.52929255     -2.01256932      3.25724432
  H      1.23722960      3.58099144      0.27904699
  O      1.98050977      3.62670442      0.89234617
  H     -1.05973866     -3.78767985      3.28856452
  H      1.65816031      4.08093072      1.68218958
          69
 Energy    -249.03297340362897     
  O     15.99821884      9.92825862    -16.77307445
  H     15.07918199     10.11192270    -16.55217283
  H     18.06487567      6.87726914    -11.19923513
  O     16.33405495      5.16144730    -13.38541988
  H     16.50744930     10.74620992    -16.64990920
  H     19.32183661      9.55311661    -17.27144535
  O     16.91208437     13.88108774    -11.33500749
  H     16.76069807      5.30473985    -14.23706454
  H     20.58325298     10.41009067    -17.52503249
  O     19.68754724      9.05758571    -14.34643885
  H     16.99379148      5.39533687    -12.72046562
  H     16.34212925      8.49706897    -13.82082345
  O     15.34371172      6.23076932    -17.29226729
  H     17.08990855     14.80565580    -11.18787767
  H     16.55906312      9.06640415    -15.26639340
  O     16.51769042     10.45970701     -8.91459986
  H     17.56243552     13.37915816    -10.81068127
  H     12.58964033     10.48705687    -16.13800162
  O     15.21517700      8.44336026    -12.36498538
  H     19.92896584      9.49215328    -15.17306453
  H     13.37840720      9.23593867    -15.67326374
  O     17.13498179     12.01118809    -13.43848869
  H     18.73083839      8.89835359    -14.39573947
  H     17.12872079      9.03974576     -9.96054532
  O     19.84705529      6.24917554    -14.06127211
  H     15.61778397      6.52770772    -18.15884425
  H     16.55859342      8.41654984    -11.25613980
  O     13.82779915      6.15359185    -13.15275334
  H     16.16482791      6.06017159    -16.80881299
  H     14.09894673      7.07793574    -16.24339384
  O     17.67818141      6.20588313    -15.74026680
  H     16.13154028     10.46270781     -8.04273781
  H     13.53145435      7.01891189    -14.80664726
  O     18.36537201      6.03097594    -11.56747829
  H     15.89954690     10.93990577     -9.49491735
  H     18.88619309     11.61617653    -10.68607639
  O     19.90206387     10.23073034    -16.88225066
  H     14.60129086      7.72961992    -12.57498288
  H     17.97144385     11.64134491     -9.45330595
  O     16.96791250      8.56121239    -14.55044792
  H     14.82884415      9.29219079    -12.62322306
  H     19.39043629      9.93588857    -12.79125608
  O     13.39675332     10.21110965    -15.71249352
  H     17.05157429     12.77371848    -12.85217759
  H     18.43438557      9.64706042    -11.60082395
  O     17.34826595      8.44927291    -10.69180005
  H     17.74255663     11.39960640    -12.99986325
  H     14.62982107     11.59855399    -11.44902910
  O     13.51938241      7.53652394    -15.61917918
  H     19.45061307      6.13347023    -13.18959608
  H     15.49210708     12.69966648    -10.81168234
  O     18.55798318     12.19509655     -9.98292164
  H     19.99849554      7.20061500    -14.14811794
  H     17.28403096      8.82772276    -17.53937895
  O     18.92764146     10.34713319    -12.04902787
  H     14.69774565      5.72216825    -13.23714711
  H     18.08456292      7.54896940    -17.20035806
  O     14.95440298     11.92537605    -10.60100786
  H     13.23551203      5.51143099    -12.77158295
  H     14.10129794     10.80858363    -14.09220461
  O     18.09884611      8.34388193    -17.74360171
  H     17.33734978      7.01173767    -15.31634822
  H     15.42436567     11.30896922    -13.42610153
  O     14.54339374     10.94800233    -13.24581133
  H     18.52879171      6.03872941    -15.30906877
  H     18.52728953     11.53934194    -16.36168431
  O     17.68320663     11.97861670    -16.20409208
  H     18.71916868      5.52875212    -10.83654801
  H     17.58052632     12.06993070    -15.24666112
          69
 Energy    -249.03295805338510     
  O     14.82447313      9.27499448    -14.07427314
  H     14.22203459      8.60985952    -14.39463636
  H     16.37819095     11.12049432    -15.92163598
  O     17.37267070     15.22061162    -16.27673106
  H     15.39427548      9.52502591    -14.82489156
  H     19.67489736     11.69794316     -9.76004760
  O     19.37829321      9.82149908    -15.88593345
  H     17.34875579     15.66137995    -17.12249986
  H     19.93957740     10.24500068    -10.19459303
  O     20.26098164     13.36251306    -10.34977591
  H     18.30800866     15.03873127    -16.08805863
  H     21.08152228     16.84526770    -13.12950698
  O     15.49113188     12.81261628    -10.86171875
  H     19.78111167     10.61586670    -15.49773985
  H     19.62148966     16.80381949    -12.63738759
  O     21.18235980      9.36883341    -11.38275905
  H     19.90889545      9.58887320    -16.64432278
  H     21.24432687     12.46764148    -11.58669035
  O     16.65454517     10.41757559     -9.73104825
  H     20.78058038     14.15911411    -10.19324254
  H     21.74552053     11.05058651    -11.94099534
  O     19.91256058     14.66298385    -15.28900699
  H     19.38382089     13.65182376    -10.64667759
  H     16.17886762      9.38429887    -12.84647163
  O     21.78106198     15.73360558    -10.32907844
  H     15.02265467     12.54749111    -11.66692620
  H     16.76363637      9.74982115    -11.43525350
  O     20.28661218     12.03533121    -14.52137853
  H     15.77702402     12.00210727    -10.42497938
  H     22.59196684     15.43031304    -13.81591742
  O     14.34587982     12.01904996    -13.28716287
  H     21.68737364      8.61114652    -11.10041253
  H     22.92729113     16.46835323    -14.91437215
  O     16.50228337     10.16438707    -16.00891967
  H     20.57886371      9.05911623    -12.08207516
  H     18.83646547     15.36978275    -13.94316250
  O     19.33649651     10.79608915     -9.68281412
  H     16.37482601     10.04119596     -8.90099412
  H     17.47242519     16.01430241    -14.11166324
  O     20.51915419     17.03013410    -12.36659595
  H     17.61524240     10.56706743     -9.66081655
  H     22.82576866     14.85481734    -11.68885688
  O     21.80788361     11.97692967    -12.20476250
  H     20.73053891     15.14906206    -15.12428578
  H     22.83208192     13.51609966    -12.45408219
  O     16.99174779      9.55357981    -12.35292879
  H     20.08963958     13.73004368    -15.10474246
  H     19.42845771      8.88675890    -14.19706565
  O     22.20178257     16.03224946    -14.47610489
  H     22.04785704     16.34266536     -9.64590678
  H     18.54787657      8.83085277    -12.93229198
  O     18.15311586     15.85477327    -13.45488226
  H     21.28750718     16.25064083    -10.99044592
  H     17.87347633     12.68100611    -12.51021724
  O     23.12732879     14.43501944    -12.50443049
  H     19.42505778     12.01835922    -14.07003627
  H     17.58768548     11.19677135    -12.91724959
  O     19.42311946      8.60106897    -13.27736971
  H     20.94592101     11.99490294    -13.81663092
  H     16.83026826     12.62700499    -14.54874282
  O     17.92465794     12.04451524    -13.23399131
  H     14.82408113     12.43336207    -14.01701868
  H     16.52633996     13.67029344    -15.66352215
  O     16.21654588     12.84907436    -15.26625636
  H     14.34107722     11.07820385    -13.49634089
  H     16.92653010     13.77440370    -11.10063100
  O     17.82362276     14.07478426    -11.31898693
  H     17.45374655     10.01141561    -16.00555464
  H     17.78073889     14.77744936    -11.97843174
          69
 Energy    -249.03286549803158     
  O      1.50418213      1.10708639      4.92008457
  H      0.84141800      0.50913665      5.30927338
  H     -2.65519324      4.07280816     -0.52111689
  O      1.26088215     -1.07501168     -3.13344642
  H      2.15492380      1.27557173      5.59707641
  H     -2.42562174      0.65967407      3.97601503
  O     -0.42767400     -0.61055134      5.73276445
  H      0.53803756     -0.92407203     -2.50336260
  H     -2.74625265      1.75549255      5.01102396
  O     -0.48041578     -0.58503144     -1.03347170
  H      0.87368682     -1.52580841     -3.87911334
  H      0.30192537      2.00341745      0.81344560
  O      2.41731132     -2.56867043      0.61515787
  H     -0.46827108     -1.28564675      5.04686337
  H     -0.27397481      2.81136674      2.02600950
  O     -4.15902099      2.98804235      2.40428463
  H     -1.24383761     -0.09922642      5.62554134
  H     -2.05506234      0.32822358     -1.41791737
  O     -3.17035746     -3.32836546      3.64165771
  H      0.15844246     -0.04633965     -0.54834471
  H     -2.87546715      1.61558019     -1.12525332
  O     -0.03038817      3.22104200      3.69610163
  H     -0.54839980     -1.41686624     -0.54508392
  H     -1.42484023      1.00022338      1.86507797
  O      3.28274741     -0.63852293     -1.36055264
  H      2.41009018     -2.01922953      1.40844086
  H     -2.61436793     -0.00146614      1.67993348
  O     -5.74632829      0.59346274      2.27217712
  H      2.79976225     -2.01676399     -0.07740293
  H      0.62579862     -2.94619612      0.44276278
  O     -4.59025497     -1.10484843      4.27382235
  H     -4.73521243      2.21429812      2.39176081
  H     -0.49315217     -2.67535367      1.46031375
  O     -2.75560828      3.22619302     -0.09239683
  H     -3.77956374      3.06855112      1.52118286
  H      0.94585186     -1.24181740      2.93660070
  O     -2.65869638      0.80117940      4.90698720
  H     -3.72629542     -2.56177563      3.87092729
  H      1.78985305     -0.05785343      3.45108778
  O     -0.48626207      2.44626575      1.15230478
  H     -3.46006149     -4.05224720      4.19044554
  H     -3.11083610      4.32456822      5.06850457
  O     -2.93506909      0.72436943     -1.49093692
  H      0.45484008      2.54793938      4.18802148
  H     -3.25275851      3.41795722      3.82242783
  O     -1.89483374      0.26180398      2.26925676
  H     -0.88082687      3.35309112      4.13289569
  H      2.24116277      0.44130307     -0.21615207
  O     -0.33722037     -2.89721550      0.53350485
  H      4.13130706     -0.50978515     -1.77571720
  H      1.62674987      0.27619662      1.19908546
  O      1.72201450     -0.70275465      2.73565028
  H      2.64370823     -0.81380830     -2.07323844
  H     -1.50819230     -2.57973636      3.43364717
  O     -2.72559649      3.57211873      4.62821342
  H     -5.18172800      0.13941725      1.62015396
  H     -1.13003107     -1.18322895      2.87210925
  O      1.55161840      0.77333542      0.37116116
  H     -6.63530178      0.57228609      1.92679873
  H     -2.22967665     -3.28618316      0.53122464
  O     -0.75574463     -2.01491733      3.21142150
  H     -3.99433244     -0.46534305      4.68753966
  H     -3.21842620     -3.38903995      1.71410336
  O     -3.16301076     -3.21194137      0.76659720
  H     -5.11216331     -0.58884293      3.64843544
  H     -3.77866506     -1.54820284      0.58675182
  O     -3.99195575     -0.60533080      0.62296434
  H     -1.89712604      3.01604428      0.31663926
  H     -3.72152358     -0.18878179     -0.20831534
          69
 Energy    -249.03270437357673     
  O     17.92708409     10.09980631    -14.87574787
  H     17.42865408     10.12559182    -14.04321002
  H     15.07935458     10.71035835    -13.41537117
  O     14.06469382      7.70339804     -9.79559122
  H     18.06274250     11.00809133    -15.16644918
  H     11.96256295     11.77630030    -11.31534892
  O     18.38032701     12.80665988    -15.38534977
  H     13.35640957      7.86899764    -10.44659881
  H     13.27232554     11.02800249    -10.97284850
  O     12.26724754      8.31900546    -11.68358490
  H     13.68663520      7.17129602     -9.10144885
  H     18.49174145      3.96072378    -12.99292656
  O     16.51063785      7.93154241    -15.85356199
  H     18.79680059     13.30342444    -16.08383436
  H     18.47644466      5.47838419    -12.70472822
  O     19.91154034      8.46530111    -13.96331989
  H     18.98874309     12.82104876    -14.62274034
  H     15.41820627      7.44293622    -10.97725110
  O     21.16681179     10.30545086    -12.37071768
  H     12.50114276      7.94121742    -12.54492425
  H     15.80624421      6.91101049    -12.40760950
  O     18.82491384      7.01586064    -11.76692763
  H     12.25624665      9.27668893    -11.78754132
  H     18.17715041      6.80618423    -15.86918669
  O     13.13682611      7.28409682    -14.09303687
  H     15.64687573      8.32106724    -16.03758870
  H     18.75229849      5.72864408    -14.93036479
  O     16.18310581     13.35061930    -13.64828153
  H     17.06344656      8.67934075    -15.58305944
  H     17.66978701     14.47149617    -11.07327622
  O     14.02813749      9.32792693    -15.91129729
  H     19.81350156      7.70576030    -14.55373734
  H     17.12480090     13.53892865    -12.18126432
  O     14.34361472     11.15712825    -13.86386938
  H     19.27322974      9.11922422    -14.28674437
  H     16.71107785     10.45566015    -11.80135308
  O     12.61871930     11.18771168    -11.67857469
  H     22.11425281     10.19556582    -12.33775150
  H     16.27709281      9.06627557    -12.31936098
  O     18.17877439      4.79661592    -13.32933313
  H     20.82696763      9.61700219    -12.96744289
  H     19.26242027     13.00680458    -12.43306616
  O     16.10780740      7.43454761    -11.65245986
  H     19.15642316      7.55888023    -12.49621859
  H     20.32324822     11.94102723    -12.82933531
  O     19.00317932      6.41006934    -15.56623342
  H     17.87876826      7.20432831    -11.66036526
  H     17.41566795     12.02811013    -10.48861009
  O     17.74113229     13.58909636    -11.42830233
  H     13.88995702      6.68130462    -14.07255957
  H     17.94529577     10.59826293    -10.11607735
  O     16.45860935      9.97342111    -12.59857726
  H     13.35077512      7.94780546    -14.75911465
  H     16.43398214      5.43193818    -13.81598567
  O     19.86537928     12.73279007    -13.13546436
  H     15.47888970     12.70774331    -13.79288562
  H     15.99597780      6.65992528    -14.65299788
  O     17.15056899     11.14823798    -10.19224911
  H     16.82443051     13.22171918    -14.35873575
  H     20.03393648      9.84304421    -10.90207346
  O     15.68986519      6.01969186    -13.99227636
  H     13.50361497      9.69316073    -16.61971040
  H     19.21909184      8.58653274    -10.57541540
  O     19.35572542      9.50153494    -10.30636560
  H     14.11712889     10.02646543    -15.24158309
  H     14.38676656      9.60572881     -9.63573591
  O     14.43521255     10.56047356     -9.76424438
  H     13.64676352     11.24163113    -13.19969482
  H     15.37397956     10.78740613     -9.79658751
          69
 Energy    -249.03258602232802     
  O     -1.03419015      0.11559342      1.14416945
  H     -1.01764440     -0.84674081      1.12040409
  H     -2.98909775     -1.53310173      4.06274532
  O     -1.27532047      5.10288520     -0.89928424
  H     -0.48029697      0.40093161      1.88446919
  H     -3.96432345      5.17605533      4.12488468
  O     -2.24641126      4.16739809      1.53846850
  H     -1.30860760      5.84878673     -1.49141733
  H     -3.03898321      4.43209509      3.13556853
  O      1.71967532     -0.97343355     -0.62053836
  H     -1.46387896      4.30886235     -1.43306139
  H     -0.50705963      0.95686415      4.43586361
  O     -3.85795695     -2.47124102      1.08131483
  H     -2.59063662      3.29138707      1.31419428
  H     -1.30479581     -0.03040220      5.30609029
  O     -2.96120846     -1.38588688     -1.41994235
  H     -1.97793623      4.59108985      0.71317949
  H     -2.50303254      1.03379581      1.12077377
  O     -1.72010300      2.78293282     -2.19904991
  H      1.41038154     -0.08794994     -0.86152016
  H     -3.56286521      1.56322514      2.11135338
  O      0.35838074      1.42142557     -0.91826388
  H      1.07076371     -1.57286330     -1.00491328
  H     -2.80538254      1.33730863      4.34584794
  O     -0.49585726     -2.52469075     -1.63618853
  H     -4.55362921     -3.12141646      1.13719459
  H     -3.77663923      2.50348560      4.07976131
  O     -1.06507920     -2.75965108      1.08384288
  H     -3.85587690     -1.99655837      1.93180504
  H     -0.99526214      2.79224656      5.46305402
  O     -1.45765648     -1.89101720      5.13221186
  H     -3.35436549     -1.71224682     -0.60039959
  H     -1.78551930      4.04006369      5.03703649
  O     -3.72277437     -1.26387188      3.49552973
  H     -3.30109282     -0.49186393     -1.53868354
  H      1.04807274      3.93508945      1.08392103
  O     -3.43577885      4.38872761      4.02194035
  H     -0.98153987      2.23363976     -1.89847395
  H      0.43993455      4.41299576     -0.24667921
  O     -1.21196267      0.90711490      5.09998404
  H     -2.52043830      2.26491404     -2.05939932
  H     -0.01515225     -2.66155816      2.54451206
  O     -3.28848237      1.60087112      1.18654258
  H     -0.14573141      0.97802329     -0.22110372
  H      1.23459785     -1.88432074      2.99057912
  O     -3.65954592      1.55633361      3.94177762
  H      0.73190567      2.23326057     -0.54315865
  H      1.42575032      0.62084325      2.74753766
  O     -0.91038034      3.74311529      5.31377210
  H     -1.35217437     -2.06047396     -1.65704049
  H      0.70694072      2.02677918      2.90938006
  O      1.13673602      3.85863767      0.12520653
  H     -0.46662387     -3.07667973     -2.41315110
  H     -0.56753219      3.91260558      2.32882844
  O      0.49595239     -2.40279622      3.32593580
  H     -0.79909351     -2.83920450      0.15850150
  H      0.03934136      3.88798254      3.74003457
  O      0.64988877      1.07879817      3.09283197
  H     -2.02964570     -2.80447942      1.10850250
  H     -3.86126618      1.41414903     -0.47229087
  O      0.26758552      3.79958713      2.80356084
  H     -1.40883789     -2.54282160      5.82633234
  H     -4.92741031      1.47831622     -1.59184817
  O     -4.01339203      1.26470388     -1.42154440
  H     -0.72031401     -2.07597176      4.52296241
  H      3.42062027     -0.82762912      2.03307882
  O      2.47284476     -0.72993602      1.99272212
  H     -3.88012235     -0.33147549      3.68452938
  H      2.22296721     -0.85172949      1.05982834
          69
 Energy    -249.03243505999390     
  O     -3.39364748      6.28181732    -10.13345767
  H     -3.51423460      5.85436876    -10.98844176
  H     -8.63740603      6.85407143     -8.20901296
  O     -7.73982189      9.90207579     -9.11501723
  H     -3.72336756      7.18462616    -10.26545028
  H     -7.43932899      8.99214539     -5.67802103
  O     -4.52671486      8.70388000    -10.97522084
  H     -7.59309890      8.96018249     -9.29275005
  H     -6.77257137      7.64803540     -5.33458202
  O     -7.44450514      8.85701325    -13.87172594
  H     -8.24214536      9.93780403     -8.29284717
  H     -6.60367961      5.01775654     -5.37817872
  O     -0.83822649      9.56119490    -12.08055987
  H     -3.93773560      8.75155403    -11.73793694
  H     -6.20725298      5.86029582     -6.60986127
  O     -3.98892092      5.78956215    -12.90643081
  H     -5.31354514      8.23427463    -11.28111781
  H     -1.25444339      8.45658096     -9.11755209
  O     -2.61433930     11.68511961    -11.41759483
  H     -7.52889458      9.50802892    -13.14915535
  H     -1.69723820      7.22898268     -9.94757282
  O     -9.05322511      9.45021478     -6.65466860
  H     -8.23326575      8.92822262    -14.40206816
  H     -3.66003345     11.55596709     -8.70501383
  O     -5.05439623     10.51772090     -8.99146494
  H     -0.87898299      8.98119170    -11.29697773
  H     -2.91808820     12.74142904     -8.04255282
  O     -7.45282287     10.62832367    -11.85043141
  H      0.08397536      9.67303687    -12.29367653
  H     -2.18168447      8.74561891    -13.05197673
  O     -1.78068178      9.43896981     -7.71509172
  H     -3.70472260      5.17178488    -13.57466811
  H     -3.55246437      8.90542504    -13.81952016
  O     -9.08333513      6.81858473     -7.35100530
  H     -3.57086431      6.64387167    -13.11741804
  H     -5.70873727      6.45263688    -12.45970147
  O     -6.64414193      8.60386433     -5.29410900
  H     -1.96193008     11.01177310    -11.64248112
  H     -6.82153462      7.50019144    -12.80766079
  O     -6.85982909      5.77790889     -5.89428585
  H     -2.53674514     11.84231938    -10.46832002
  H     -4.19322103     11.92872517    -12.09091981
  O     -1.08063659      7.96801247     -9.93695836
  H     -9.17216795      8.50932822     -6.87897569
  H     -5.11083466     12.98451581    -12.74210515
  O     -2.79242940     11.98921602     -8.61541197
  H     -9.86402143      9.73948679     -6.24475722
  H     -4.90566012     10.73641945    -13.82960791
  O     -2.98684766      8.29017657    -13.32622957
  H     -4.78240823      9.94100671     -9.72269043
  H     -5.71801035      9.54857160    -14.37039928
  O     -6.45616144      6.94837661    -12.10292441
  H     -6.01737235     10.46153373     -8.95083283
  H     -4.46715253      6.12615535     -8.62759185
  O     -5.06752409     12.06348032    -12.49665178
  H     -6.64117017     11.14785924    -11.91823066
  H     -4.79379881      7.20050374     -7.55416524
  O     -4.84397214      9.95612619    -14.39592650
  H     -7.63079288     10.48705759    -10.91325066
  H     -5.11720324      8.83137898     -6.21692945
  O     -5.10485013      6.36886190     -7.94512026
  H     -1.96368610     10.35124772     -7.96832197
  H     -4.64624087      9.42658094     -7.57422879
  O     -4.40576794      8.80518984     -6.87342422
  H     -2.57708704      9.13401332     -7.26104805
  H     -6.55059342      6.88933710     -8.99000624
  O     -7.31833264      7.17722705     -9.50226197
  H     -8.47330006      6.34265887     -6.77342620
  H     -7.13895537      6.97214031    -10.42924333
          69
 Energy    -249.03238006430922     
  O     14.57158784      9.21280320    -10.42978079
  H     14.29341516      9.91380443    -11.03491788
  H     18.20074597      2.91294603    -12.21711371
  O     16.83818731     11.05806395    -12.96011651
  H     13.79463456      8.69926705    -10.17495484
  H     11.91543557      7.35199238     -9.09118276
  O     13.13220626      4.50523123    -13.57034987
  H     17.39074308     10.89198762    -12.18922089
  H     13.27338495      6.74345927     -9.52398290
  O     17.20883652      6.50679723     -8.37590340
  H     15.91285536     10.95782641    -12.70094390
  H     18.60806975      6.71204747    -14.97221207
  O     16.34311746     12.52876704    -15.27639108
  H     12.71321255      5.31279972    -13.22073540
  H     19.88226388      7.40020500    -15.51739887
  O     15.85943683      7.47187512    -12.22574700
  H     12.43579849      3.86720119    -13.69887031
  H     14.73059323     13.02628273    -14.62639892
  O     14.02913011     10.95952610    -12.48491363
  H     17.13271043      7.46218741     -8.55110637
  H     13.80969933     14.13916864    -14.10156547
  O     18.57537107      7.91654565    -12.27291356
  H     17.51648488      6.41795690     -7.47743500
  H     12.10499270      9.42397650    -14.81457907
  O     18.63776471     10.26940149    -10.91797109
  H     16.54863715     11.76867899    -15.82723961
  H     13.44800884      8.74907402    -14.43482181
  O     17.74194574      5.25820912    -14.78705122
  H     16.63347514     12.25002500    -14.39455440
  H     12.18941851      7.60360375    -13.01529653
  O     15.07007649      5.39434129    -15.49151601
  H     15.63972835      6.54970563    -12.03864133
  H     12.20569569      6.98603423    -11.59392897
  O     17.76681144      3.75163863    -12.34651003
  H     15.42171914      8.02850085    -11.56924933
  H     14.80264747      5.25564608    -10.07048555
  O     12.57347508      7.37286642     -9.78051033
  H     13.93474760     11.81248933    -12.93284931
  H     15.46492121      5.95302488     -8.86653548
  O     19.09947377      7.55516140    -14.99627427
  H     13.50982307     10.33107589    -13.00362997
  H     16.04594222      4.31119123    -12.00684445
  O     13.93689655     13.19402331    -14.09175407
  H     18.87268190      7.81570291    -13.18523539
  H     14.54852129      4.56036682    -12.40245147
  O     12.61665846      9.10736396    -14.07415212
  H     17.61718113      7.76052956    -12.27014181
  H     18.20955227      5.87045021     -9.84526740
  O     12.09991304      6.77503794    -12.52926644
  H     18.71888827      9.42108401    -11.38965937
  H     18.79741054      6.42803797    -11.16106164
  O     14.60927687      5.70271760     -9.23385770
  H     19.52043600     10.61507679    -10.81250102
  H     15.71896067      8.66552986    -15.15272203
  O     15.23728661      4.77812533    -11.76168264
  H     16.82257134      5.23030860    -15.09033796
  H     15.31446098      7.85379433    -13.89509210
  O     18.69766987      5.62078900    -10.63957439
  H     17.79136067      4.70030122    -14.00376208
  H     16.05521730      9.22979015     -9.38452709
  O     15.01798600      8.11431281    -14.78079000
  H     14.99065867      6.35309355    -15.39388338
  H     17.54569998      9.59719506     -9.52277212
  O     16.91992323      9.12456268     -8.96226892
  H     14.38006596      5.02089140    -14.93163478
  H     17.17515291     10.07668168    -14.51899481
  O     17.21364952      9.65472602    -15.39033475
  H     18.15790471      4.37518201    -11.70711412
  H     17.90894231      8.98676821    -15.34232402
          69
 Energy    -249.03201019816288     
  O     16.61991039     10.03436077    -11.62861362
  H     16.81050180     10.82847755    -11.11196163
  H     17.89635202      4.00014120    -14.15675570
  O     17.16486306     12.10487936     -9.84947927
  H     17.44871646      9.55954126    -11.78846679
  H     14.79326497      5.95916906    -10.85027632
  O     13.55266250      6.53926333     -8.07075932
  H     17.96566541     11.72209071     -9.44531128
  H     15.67000893      6.81477569     -9.89218198
  O     14.35692842      8.93614434    -12.77383187
  H     17.33393302     13.03537530     -9.97224780
  H     18.40535017      7.94662981    -13.66653536
  O     18.79227962      8.35287795    -11.86624635
  H     14.01824682      6.44736400     -7.22739518
  H     18.03296257      6.59993775    -14.30668940
  O     20.69547068      8.77099766     -9.81913827
  H     14.16436805      6.18656781     -8.73303109
  H     17.14822572     10.58142133     -6.56897612
  O     17.99477667      5.76246415    -11.08716330
  H     14.62522752      8.73792597    -13.67980549
  H     18.08703583     10.60608590     -5.33884157
  O     11.62559058      6.80840867    -10.04393459
  H     15.12014663      9.36986060    -12.36487076
  H     16.41474643      7.99305115    -14.98718660
  O     15.78782198     11.23685257     -7.43651114
  H     19.51883529      8.58941055    -11.27823811
  H     15.46873775      8.46661585    -16.11586047
  O     12.49012461      9.49988834    -10.67525631
  H     18.48065320      7.48279128    -11.57573510
  H     16.37441213      8.98051080    -10.17294135
  O     13.81980256      9.40568451     -8.27839992
  H     20.34502647      7.95550539     -9.41624727
  H     15.35815655      8.82898209     -9.01198245
  O     17.65530572      4.80876541    -13.71300302
  H     21.64413803      8.67979135     -9.84683222
  H     19.78521761     10.19635543     -9.01438077
  O     15.40041001      5.90443554    -10.09926572
  H     17.96867453      5.33848165    -11.95409304
  H     18.96524299     10.63175039     -7.76984183
  O     18.03054014      7.55253409    -14.46432279
  H     17.10338273      5.68454522    -10.71953822
  H     15.58961678      5.78221373     -5.28771253
  O     17.96607401     10.20447231     -6.19479646
  H     10.76607655      6.47488356     -9.79878689
  H     16.11653709      6.78124254     -6.32851207
  O     15.47906080      8.11164807    -15.23104351
  H     12.20240163      6.68562705     -9.27174606
  H     12.76958378      6.42267963    -11.51029256
  O     16.14546483      8.43494692     -9.41262879
  H     16.09793250     11.58126583     -8.28241955
  H     13.80100059      7.27092859    -12.30668290
  O     19.26014377     10.91588888     -8.64376710
  H     15.01046882     10.69501916     -7.62624343
  H     18.88292749      6.78951629     -8.16468800
  O     15.30579634      6.39894456     -5.95808144
  H     13.03719153      9.42052665    -11.46696692
  H     19.05723029      6.11909720     -9.55293569
  O     13.53199208      6.36282159    -12.09733019
  H     12.05503317      8.64608731    -10.56075808
  H     17.08597111      7.90336912     -7.99607186
  O     19.53884708      6.54133644     -8.82949866
  H     13.62779880      8.49276918     -8.03288808
  H     17.75128518      8.43853613     -6.71223556
  O     17.51523110      7.62291635     -7.17254871
  H     13.32292117      9.58442668     -9.09246914
  H     14.45089281      5.59042517    -13.52358967
  O     15.07420361      5.44816453    -14.24819267
  H     16.70817635      4.95467279    -13.88958866
  H     15.12063159      6.29250672    -14.71412266
          69
 Energy    -249.03187023091303     
  O     15.78295517      8.42174162    -16.09580578
  H     16.31103065      8.35852145    -15.28714956
  H     16.44470581      9.39240021    -17.35013980
  O     20.84832170      9.88694222    -11.05131574
  H     14.92534399      8.76982306    -15.82230063
  H     18.84288242     15.98237884    -13.25664214
  O     21.14753637     12.20784648    -12.46428366
  H     21.05545053     10.74557275    -11.45961299
  H     19.53301848     17.31207687    -12.88721198
  O     13.98178011     10.74418533    -12.81075487
  H     21.62747437      9.61695221    -10.57205727
  H     19.92567998     11.53201794    -15.62462694
  O     18.11532211     10.48123603    -10.39032657
  H     21.00325314     11.90470138    -13.37300487
  H     21.29424797     12.20962374    -15.42224961
  O     17.18513940      8.60942928    -13.72424597
  H     21.53072270     13.09436415    -12.52443960
  H     16.67937335      9.66390677    -10.89908973
  O     14.52775659     11.63907832    -17.12533747
  H     14.63697945     10.30130638    -12.25834666
  H     15.55253700      8.65299699    -10.58772408
  O     17.59282046     14.40310352    -16.20740477
  H     14.25929891     11.66424727    -12.90257243
  H     14.67160999     13.27155973    -16.64952152
  O     21.97618838     14.72793005    -13.08254913
  H     18.13385404     11.35936058    -10.79623860
  H     14.10913190     14.71307579    -16.70845191
  O     18.29544798     11.74047660    -16.41699300
  H     19.01470002     10.14632247    -10.48228399
  H     19.19697549     15.31947612    -16.25171120
  O     13.41463736      9.78102687    -15.28838850
  H     18.15059061      8.67294028    -13.65301781
  H     19.98778199     16.10754006    -15.18953377
  O     16.74186479     10.04761011    -18.00902937
  H     16.79738044      8.63998695    -12.84132185
  H     17.57184750     14.72135465    -14.40056349
  O     19.68051325     16.46998384    -13.31141792
  H     14.09570948     11.02697891    -16.51579568
  H     16.54593795     14.51019905    -13.28304913
  O     20.74518951     11.47678178    -15.11328599
  H     15.25773099     11.15230817    -17.52517377
  H     21.36508001     14.51136108    -16.00334305
  O     15.90776278      9.20661486    -11.27846556
  H     17.88094982     13.49460329    -16.37961151
  H     22.76824010     14.05797686    -16.47030611
  O     14.78413148     14.17619993    -16.30265794
  H     16.63684655     14.42282673    -16.33977550
  H     20.25607274      9.24228359    -12.75522615
  O     20.07103608     15.68142123    -16.05096513
  H     22.14140628     14.50535162    -14.00796016
  H     20.25947526      9.76453853    -14.20873485
  O     17.42194112     14.87729757    -13.45577135
  H     21.24890916     15.36195329    -13.08711896
  H     17.06661944     10.42155118    -13.90962505
  O     22.07985231     13.87072667    -15.83737778
  H     17.86447082     11.16326696    -17.05851084
  H     17.65873552     11.72284772    -13.27574826
  O     19.88435265      9.08922612    -13.63238159
  H     17.83779919     11.60539933    -15.57067954
  H     15.77668262     12.55789717    -13.81208791
  O     17.11731102     11.38124195    -14.00011652
  H     13.60025225     10.10411419    -14.38957559
  H     14.85496530     13.60350713    -14.47860387
  O     15.11928141     13.24772148    -13.62114725
  H     12.52171929      9.44634908    -15.27811752
  H     18.19167986     13.55502397    -12.39281756
  O     18.47134796     12.73263314    -11.97446942
  H     16.86057900      9.57865057    -18.83007020
  H     19.42347552     12.63888315    -12.11658799
          69
 Energy    -249.03117776995504     
  O     -2.89677559      0.98949143      3.73806686
  H     -2.86858333      1.11048315      4.69834631
  H     -4.54056960     -2.17841538      6.01219670
  O     -1.50740990      3.78539395      6.87077905
  H     -3.02305543      0.04583832      3.56882599
  H     -1.87453092     -3.00290303      9.22384086
  O      0.92565366     -0.50211056      1.02818264
  H     -1.30476594      4.00836612      5.94338637
  H     -1.95733397     -3.06936835      7.67859677
  O     -1.26447502      0.02695103     -0.69121943
  H     -1.76063064      4.59740877      7.30075203
  H      0.03508452     -0.56630848      6.70404837
  O     -2.94124757     -1.74940869      3.41559819
  H      0.55763340     -0.08710727      1.82415059
  H     -0.91132362     -1.05054541      7.85268216
  O     -2.17071388     -2.10850887      0.73818398
  H      0.30245364     -0.29576472      0.31891796
  H     -3.00700264     -3.76600297      5.85719970
  O     -2.69141419      3.29388497      2.27796059
  H     -1.68950438     -0.70234696     -0.20722927
  H     -1.50159262     -3.71805651      5.50906586
  O     -0.91719986      4.27189975      4.30050912
  H     -1.43863020     -0.12331985     -1.61702128
  H      0.35519206      1.35087623      7.69279692
  O      1.42509198      2.92320775      3.68486443
  H     -2.08351159     -2.07683853      3.72070060
  H      0.08396203      2.82604865      7.35082004
  O      1.92062180      2.27160685      1.08655332
  H     -3.61196185     -2.15535675      3.97938314
  H     -3.78173813     -0.16268704      7.02268035
  O     -0.46761278     -2.86198383      4.21457656
  H     -1.37123940     -2.61510042      0.92423135
  H     -3.46290121     -1.45616423      7.80200111
  O     -4.63498737     -2.86197918      5.32397167
  H     -2.59383738     -1.97646750      1.59685154
  H     -1.09709407      0.81522804      3.42982676
  O     -1.93100273     -2.46284688      8.44052323
  H     -3.54323068      3.65867532      2.05023096
  H      0.30422998      1.50643778      3.41557419
  O     -0.52440091     -0.27140761      7.43572426
  H     -2.86117657      2.46720688      2.76046562
  H      1.03210210     -3.72285149      1.13331330
  O     -2.12841450     -3.96954254      6.20087887
  H     -1.50752546      4.05617295      3.57016677
  H      0.70943774     -2.22721111      1.36510980
  O      0.79301042      2.19859699      7.53380954
  H     -0.04622786      3.91967933      4.06733083
  H      2.08831641      1.81012157      6.43461501
  O     -4.13631298     -1.02990473      7.25720614
  H      1.76391964      2.78150617      2.78646814
  H      3.60212006      1.65314078      6.15481874
  O     -0.15342500      0.66034804      3.31262802
  H      2.01467701      2.49618442      4.31672794
  H     -1.00229397      1.82089759     -0.06366973
  O      0.41521765     -3.13420579      1.56034129
  H      1.94262473      1.31802992      0.96363413
  H     -1.38326166      2.93095417      0.93434561
  O      2.73939364      1.49448637      5.78097182
  H      1.04829517      2.54084576      0.75532431
  H     -1.89956129      0.70082804      6.77918678
  O     -0.71283610      2.66983930      0.29245743
  H      0.17062867     -2.26174738      4.62272014
  H     -2.38776789      2.16138029      6.66532638
  O     -2.63993306      1.24850454      6.47799269
  H     -0.12821784     -3.07553212      3.33582169
  H      1.83853585     -0.20378805      5.45209961
  O      1.10419016     -0.78912198      5.23471847
  H     -5.53203385     -3.18048512      5.36958182
  H      0.60960446     -0.31623993      4.54459197
          69
 Energy    -249.03103889763150     
  O     17.62566921     10.19535048     -9.95348135
  H     18.20775972     10.75561423     -9.42258627
  H     16.64710809      5.52130339    -11.70703015
  O     19.24512724     11.64112677     -8.20554149
  H     18.13839965      9.45870010    -10.31258110
  H     14.77865214      6.27378440     -7.78648383
  O     11.78589849      9.12854368     -8.20834750
  H     19.79465035     12.41506791     -8.29822949
  H     14.32275344      6.93785164     -9.14571806
  O     14.94899228     10.33892965    -10.67027506
  H     19.81512946     10.92654208     -7.86656922
  H     16.91233752      8.48338099    -13.39461111
  O     18.77395730      7.82899457    -10.89385510
  H     10.85854134      9.11666510     -8.43211453
  H     18.09319163      8.20149588    -14.35309458
  O     20.77643772      7.40544945     -9.03961971
  H     12.25760908      8.71537981     -8.95033151
  H     18.54606018      8.18053650     -5.14469941
  O     17.31588923      5.64571982     -9.97797742
  H     14.48494916     10.84242853     -9.98472021
  H     19.43842834      8.69341898     -3.99310199
  O     17.81975377     11.37230458     -5.65868045
  H     15.89168729     10.37379083    -10.45797351
  H     14.68264849      8.40395270    -13.11165804
  O     13.61769265     11.36983601     -8.50852469
  H     18.55623201      7.92033242    -11.83049912
  H     15.15082515      9.68432300    -12.39321452
  O     15.28819457     10.54373741     -6.40346118
  H     18.23404921      7.09777344    -10.55610345
  H     16.94366961      9.16005676     -8.65300768
  O     13.38949796      8.56527860     -5.91252765
  H     20.14149494      7.59251832     -9.75046479
  H     16.03511895      7.92460852     -8.33043912
  O     16.25477187      5.71287880    -12.56985270
  H     21.57043115      7.08349635     -9.46079045
  H     20.72925989      8.78924791     -7.78689014
  O     15.02167842      6.43527137     -8.70682615
  H     16.46231543      5.84134226     -9.56489710
  H     20.22497752      9.26339356     -6.39454735
  O     17.75821254      8.00734755    -13.48201464
  H     17.92014013      5.42718579     -9.25430395
  H     14.19392720      7.04867397     -5.83608810
  O     19.15650874      8.88911236     -4.88341687
  H     18.26568757     10.58807244     -5.31753187
  H     14.19427628      5.56955161     -5.37831712
  O     15.31175491      9.13235829    -13.17087859
  H     18.24204016     11.56394126     -6.50424113
  H     13.37992250      7.59026755    -11.03464752
  O     16.56982380      8.62797761     -7.94114057
  H     12.87364384     10.77599606     -8.35989621
  H     13.94717156      8.86340082    -10.34975214
  O     20.63593102      9.56156848     -7.21577387
  H     14.19658515     11.25183699     -7.74211847
  H     19.68876841      6.11305674     -8.08151030
  O     14.67245208      6.20183236     -5.90771842
  H     16.05114684     10.98194565     -6.00568431
  H     18.52315494      5.94052277     -7.08241793
  O     13.37934507      8.09014154    -10.20827180
  H     15.67122261      9.85214497     -6.96380700
  H     17.24097545      7.65889614     -6.64985699
  O     18.99663336      5.50252571     -7.80080036
  H     13.99722449      9.31829295     -5.91183281
  H     16.57574436      6.62889525     -5.73137083
  O     17.42863270      7.02828827     -5.93414750
  H     12.75540146      8.73698400     -6.61891347
  H     14.61472382      6.31160295    -12.59181151
  O     13.75043670      6.75938224    -12.63251501
  H     16.83130708      6.36684273    -12.98230372
  H     13.20991505      6.25685607    -13.23599703
          69
 Energy    -249.03050040533958     
  O     16.85617693      9.49920531    -11.89755189
  H     17.20285841     10.36185263    -11.63489028
  H     13.58829395      8.60815898     -5.68668903
  O     17.86580611     11.87285977    -10.85749273
  H     17.59311155      8.87374970    -11.94477135
  H     17.38217947      3.09342282    -13.57342429
  O     12.89463038      6.39184316     -8.22213238
  H     18.52579866     11.49535115    -10.24708387
  H     16.34115120      4.23423516    -13.48995851
  O     14.49303854      8.64194019    -13.05011766
  H     18.24616935     12.66724471    -11.22246627
  H     14.39646463      5.91847725    -10.81770769
  O     18.78605963      7.50651154    -11.77431959
  H     13.64016140      6.03293039     -8.72196238
  H     15.27263914      6.77737600     -9.86696146
  O     20.31929843      8.03605725     -9.42793506
  H     13.27625761      6.96550834     -7.54771970
  H     18.43657973      6.95342854    -13.54915207
  O     17.55429528      5.20292252    -10.71947483
  H     14.77103245      8.28709117    -13.90409263
  H     17.89167523      5.60365955    -14.03847170
  O     11.35960537      7.22783671    -10.30878224
  H     15.29961063      8.99814499    -12.64985143
  H     18.17470659     11.13608294     -5.88694339
  O     16.08567285     11.92115110     -8.56843438
  H     19.45515784      7.74725397    -11.12435280
  H     17.58332950      9.85548288     -6.51517184
  O     12.82446368      9.62095724    -10.87727425
  H     18.33483990      6.72628286    -11.41749628
  H     15.71209532      7.56465866    -16.21977587
  O     14.07345783     10.08653150     -8.48156329
  H     21.10971318      7.60593008     -9.11108809
  H     16.52674436      7.12314295    -14.98167682
  O     14.08017164      8.30356776     -6.44577661
  H     19.56783716      7.61113738     -8.97985123
  H     16.30248664      8.79730164    -10.34047261
  O     17.24745269      3.97656716    -13.24048913
  H     17.54659510      4.66740718    -11.52228883
  H     15.37159232      8.95769199     -9.11039776
  O     14.97928964      5.87080682    -10.04764773
  H     16.62296923      5.33177290    -10.48095489
  H     19.87988468      9.84456170     -9.19445931
  O     18.03804740      6.51792017    -14.31288016
  H     10.43296877      7.07773007    -10.14340956
  H     19.05250603     10.71257413     -8.21621416
  O     17.93437913     10.73888063     -6.72034498
  H     11.83910600      6.93865039     -9.51198155
  H     15.98847374      8.15824026     -6.26893253
  O     15.63122730      7.34156475    -15.29624606
  H     16.70075920     11.58530131     -7.90362886
  H     17.33564642      7.59478946     -6.79374974
  O     16.02057209      8.37380986     -9.51965104
  H     16.59330316     11.99662870     -9.38422185
  H     12.48590127      6.53683906    -11.64380771
  O     19.51644065     10.72813366     -9.06393157
  H     13.31009920      9.42085869    -11.68553360
  H     13.65920589      7.13491015    -12.46886946
  O     16.94717527      8.25305502     -6.20526544
  H     12.24020156      8.86801924    -10.72074364
  H     17.35776623      7.47428107     -8.76823195
  O     13.25415774      6.30309018    -12.17843119
  H     14.67859424     10.84223390     -8.52041651
  H     17.97531522      6.08768968     -9.03091634
  O     18.03808972      6.85616684     -8.45068088
  H     13.58491673     10.02823400     -9.31614633
  H     14.16716847      5.21907472    -13.38272033
  O     14.82075900      4.90295979    -14.02061773
  H     14.00724648      8.99968555     -7.12355616
  H     15.01011411      5.66287289    -14.58504489
          69
 Energy    -249.03038794975191     
  O     -0.84042036      5.01263741      3.78029063
  H     -0.02552723      5.46755975      3.53625187
  H     -2.25565846      2.73726408      0.59125952
  O     -0.06119896      2.34211064      3.52812882
  H     -0.61230216      4.07440965      3.83593694
  H     -1.18873348      6.51469625      1.02639354
  O     -0.36480472      3.46325675     -3.88312271
  H      0.38738570      1.58967910      3.93188267
  H     -0.28385682      6.21712173     -0.17700794
  O     -2.39526993     -1.40763598      1.71554587
  H     -0.74196486      1.98303615      2.94163802
  H      3.30822781      0.45651607      1.83795363
  O      2.08530514      3.49775484      2.09094213
  H      0.36060810      2.84637245     -3.68894323
  H      3.11183106      1.89330942      2.39712232
  O     -0.57689596      0.03092374     -2.23905394
  H     -0.29476757      3.68576228     -4.80809402
  H      0.62369361     -2.76609568      0.25104948
  O     -0.05583180     -1.85889929      2.99575508
  H     -1.59285612     -1.58414107      2.24145982
  H      1.56361567     -3.92541035      0.66084263
  O      0.48253559      0.96616845      0.13480871
  H     -3.09032881     -1.94753420      2.08205952
  H     -1.88329038      2.59397093     -3.00745279
  O      1.74332635      3.29594407     -0.64421954
  H      2.02998744      4.44186167      2.28671224
  H     -2.59077063      2.55198442     -1.63454643
  O      1.46274285      0.11917864      4.37430594
  H      1.33119635      3.08746505      2.53804088
  H      1.76344314      2.32597651     -2.20659313
  O      1.49675168      6.19804160      2.57636911
  H      0.17602355      0.47688878     -2.64538965
  H      2.29612171      1.07131252     -2.91614748
  O     -2.41361816      3.51071568      0.03159330
  H     -1.33491547      0.63049638     -2.32384748
  H     -0.78100262     -1.54626481     -1.25734452
  O     -0.33075400      6.73076944      0.64032473
  H      0.46569151     -1.20720904      3.47917013
  H     -1.46175711     -1.92956601      0.08191829
  O      3.35290957      0.99086098      2.64186229
  H      0.53714900     -2.27731277      2.35954135
  H     -2.08224185      5.38591800      2.61131027
  O      1.39283224     -2.99863269      0.80396207
  H      0.07840755      0.58854321     -0.65956589
  H     -3.43008088      6.06446687      2.26932402
  O     -2.43383092      2.04165568     -2.43879486
  H      0.88525304      1.80715907     -0.12014371
  H      4.37393165     -0.40984909     -2.45237713
  O      1.61399440      1.75517799     -2.97507967
  H      1.04388098      3.93054196     -0.85604765
  H      3.28790390     -0.34310776     -1.36826861
  O     -0.80948371     -2.22104203     -0.56644620
  H      1.98646144      3.43226813      0.28184781
  H     -1.12061998      4.34716111     -0.93012989
  O     -2.67687579      5.62940211      1.87889504
  H      1.84261593     -0.03053428      5.23624598
  H     -0.44427848      4.52538805     -2.32113701
  O      3.46270562     -0.16817912     -2.30593678
  H      2.19250209      0.39045738      3.78885894
  H      1.93562228     -0.04306204      0.34728099
  O     -0.42473422      4.82711742     -1.40549070
  H      1.98274751      6.98497024      2.80717225
  H      2.43430276     -1.48816142      0.53908509
  O      2.73848006     -0.58710343      0.37148379
  H      0.89910525      6.44064369      1.84618024
  H     -0.92424669      1.17190481      1.11898681
  O     -1.75715912      1.30785735      1.60154502
  H     -2.62951807      4.23741355      0.62988294
  H     -2.16142824      0.43545771      1.67425036
          69
 Energy    -249.03022963018984     
  O     -1.26302292      1.25685389     -1.85715433
  H     -0.74262105      2.06470278     -1.79446019
  H     -1.89660599     -0.08397487      4.10857769
  O      0.40476377      3.56829756     -1.42163081
  H     -0.69369032      0.54569884     -1.53001406
  H      1.22723892      0.46339017      2.65048266
  O      5.03128231      1.23081582      2.81779609
  H      1.26772071      3.14962289     -1.26135116
  H      1.46296653      0.52973409      4.17253405
  O      1.03080657      1.45822355      1.26586903
  H      0.54439277      4.23104519     -2.09379220
  H      3.73686604     -2.00521771      2.37292599
  O     -3.51962168      0.66617191     -0.48314883
  H      4.93848085      1.85729529      2.09028747
  H      2.74580280     -0.85671479      2.65870929
  O     -2.56701052      1.92711528      1.80712897
  H      4.59074842      0.41620871      2.54762142
  H      5.14020243      2.59537370      5.67957412
  O      0.24261658     -0.64281972     -0.44210002
  H      1.72922577      1.71435297      0.65088173
  H      4.67107923      2.04030970      4.31156261
  O     -2.07596765     -1.53162236      0.77124762
  H      0.43850930      2.21538012      1.33836779
  H     -3.23477991      2.09946305      4.82134422
  O      2.76750536      2.30992711     -0.75736092
  H     -4.28076697      0.61829940     -1.05457371
  H     -3.18504600      2.68400406      3.39954659
  O      4.61524828      3.42161437      0.99016627
  H     -2.75926482      0.90450505     -1.04430350
  H     -0.04742381      4.45747541      4.31775252
  O     -1.51086372      4.60923801      5.45485080
  H     -2.15029782      1.18921879      2.27598147
  H      0.22473399      4.12008092      2.83044995
  O     -1.50283090     -0.23692099      3.24002969
  H     -3.01053333      1.55256810      1.03571096
  H      2.60860143      2.19458216      5.28219833
  O      1.31276698     -0.09011820      3.44603965
  H      0.44450550      0.06144843      0.19043940
  H      1.31541564      2.74284673      4.62217773
  O      3.53708891     -1.09879538      2.15001998
  H     -0.51083533     -1.12363079     -0.07106631
  H     -1.88012604      1.05122174      6.13870580
  O      4.40159456      2.57925879      5.07757552
  H     -2.68941628     -0.90934293      0.36243302
  H     -3.02070443      0.04241463      6.41936400
  O     -3.31264695      2.92460465      4.32658408
  H     -1.95333720     -1.22475034      1.67958388
  H     -0.93723955      3.05605693      6.45566796
  O      0.64622982      4.19907550      3.69763298
  H      3.46395559      2.72189750     -0.22893394
  H      0.20331702      2.03393390      6.32081797
  O      1.66124535      2.03623401      5.18749043
  H      2.97882137      1.36816935     -0.85873711
  H      3.28115396     -0.68588105      0.26367740
  O     -2.58179266      0.51994254      5.72074269
  H      5.37318074      3.96456990      0.78792973
  H      2.10449729     -0.67395835     -0.72557178
  O     -0.67118316      2.16464215      6.71265046
  H      4.14684722      3.85741995      1.72507911
  H     -0.36753144      3.79747138      0.31213717
  O      3.02878094     -0.40447537     -0.62356755
  H     -1.94373814      5.38288497      5.80535161
  H     -1.36491328      3.18498929      1.36376663
  O     -0.57294492      3.73371208      1.25283335
  H     -2.19977191      4.07289654      5.02190613
  H      2.45087485      4.51472852      3.32739237
  O      3.40283750      4.47546313      3.16828818
  H     -0.54763941     -0.29824718      3.36828954
  H      3.77425117      3.97290543      3.90395147
          69
 Energy    -249.03021890800065     
  O     -2.03922874     -2.47211207     -1.31484496
  H     -1.53090031     -1.78327455     -0.84944886
  H     -1.50480530     -6.81179506      1.62079927
  O     -1.02965123     -0.20381995      6.86735968
  H     -2.13425019     -2.18090813     -2.21805385
  H     -0.78805777     -4.04039856      1.54369017
  O     -1.68637326      0.08672516      2.58269514
  H     -0.42448674     -0.92761566      6.66187784
  H     -0.69529723     -4.88371009      2.83070286
  O      1.93573279     -4.83655860      5.64193030
  H     -1.84008762     -0.61896469      7.18831534
  H     -2.97103449     -3.86590753      4.74712287
  O     -3.55095495     -1.48589362      7.37414772
  H     -2.50960854     -0.42390481      2.60336124
  H     -2.41924455     -3.85957179      3.30426745
  O      0.38760251     -2.46816765      5.92759896
  H     -1.72540912      0.70941346      3.31916085
  H      2.24873744     -5.21119448      2.27602672
  O     -0.68059632     -6.07951769      5.86561978
  H      2.69700070     -5.09727711      6.15614640
  H      3.02858538     -6.43462730      2.79711098
  O     -4.28297734     -0.03836264      5.19798539
  H      2.10764061     -5.12083123      4.73063492
  H     -4.22870795     -1.71706637      1.87633791
  O     -0.58766358     -0.66202916      0.07891484
  H     -3.89318389     -1.00079556      6.60171833
  H     -3.78450922     -2.23434242      3.25091384
  O     -0.39341502     -6.63524346      3.19399539
  H     -4.18147864     -1.36149988      8.07826424
  H      2.14499457     -3.27145993      0.89100502
  O     -4.37092615     -5.29872519      1.74163984
  H      0.40571074     -2.11464247      5.02491969
  H      1.23136334     -4.40244711      0.37828715
  O     -1.99409253     -6.62157235      0.80946232
  H      0.99036816     -3.22024218      5.92877961
  H     -0.37281818     -1.01430702      3.11562533
  O     -0.85905190     -3.98805707      2.50564844
  H      0.20510179     -5.70549424      5.94558103
  H     -0.06216296     -2.53420429      3.03370700
  O     -3.24069071     -3.87513078      3.82083960
  H     -1.28676749     -5.37884144      6.13785427
  H      2.69893308     -0.75785116      1.32160189
  O      2.35179084     -5.80723205      3.03990267
  H     -3.58697920      0.62282574      5.10204912
  H      1.50223834     -1.45296917      2.01245500
  O     -4.00588965     -1.42371555      2.77132209
  H     -4.35945799     -0.46644297      4.33465910
  H     -1.04312163     -5.33208373     -0.00649226
  O      2.04858115     -4.23039483      0.86783993
  H      0.32335982     -0.87544448      0.30950260
  H     -1.05501950     -3.91823133     -0.69206087
  O      0.30366181     -1.67814396      3.31009145
  H     -0.98716133     -0.28304170      0.87313559
  H     -1.73157884      2.44277211      5.25469227
  O      1.99870076     -1.38994101      1.17838861
  H     -0.59542636     -6.58179122      4.14105717
  H     -1.50672703      0.96399623      5.65080860
  O     -0.51158449     -4.54330599     -0.19767771
  H      0.56227634     -6.53985475      3.10487685
  H     -1.26768392     -3.24688417      6.20088609
  O     -1.88562297      1.54656405      4.96838043
  H     -4.06839782     -4.86200553      2.55490251
  H     -2.67564013     -3.02064815      6.79914552
  O     -2.12329764     -3.67416441      6.35217715
  H     -5.20460725     -5.71433685      1.95042011
  H     -4.37137278     -3.64475374      0.68142404
  O     -4.32950301     -2.72987996      0.37907453
  H     -2.84218875     -6.25419656      1.08849806
  H     -3.58858339     -2.67810853     -0.23682503
          69
 Energy    -249.02973994808033     
  O     11.83482974     10.81671051    -15.23724484
  H     11.33910944     10.34992957    -14.55362663
  H     17.99318433      9.06793780    -12.82980266
  O     16.54125660     11.21047763    -10.74276196
  H     12.17180075     11.63218192    -14.84701302
  H     15.24441188     12.40406687    -16.68479371
  O     17.38681185     11.59167483    -14.65875034
  H     16.34915744     10.55397047    -10.06126065
  H     16.10091905     12.70779238    -15.44892360
  O     13.08324878      6.67340774    -16.82782775
  H     15.70508455     11.40676134    -11.18460022
  H     15.92441377      9.08592873    -13.72156647
  O     13.68756844      7.93420495     -9.30077928
  H     17.96262247     11.47629651    -13.89499991
  H     14.88132132      9.46289548    -14.85199685
  O     13.98541299      6.90996954    -12.84592725
  H     16.63677531     10.99418348    -14.50573279
  H      9.61411501      9.00632820    -13.16418546
  O     14.19176992     11.44734267    -12.27609149
  H     13.02701679      6.05535380    -17.55054786
  H     10.85082846      8.29232954    -13.76207382
  O     17.66330485      9.89875176    -16.87012596
  H     13.89124282      6.45227420    -16.32618692
  H     17.17526985      7.43447929    -11.42630211
  O     14.75345335      5.56015805    -10.52175896
  H     13.25555623      8.37874905    -10.04432036
  H     16.81344165      7.80906481     -9.96726025
  O     17.83882799      7.46845987    -15.68413301
  H     13.91087273      7.04868190     -9.61217455
  H     11.95161974      6.76696134    -15.28433140
  O     15.24252316      6.30532018    -15.28324949
  H     14.20853705      6.34428990    -12.09603384
  H     12.39730242      6.73770663    -13.81558249
  O     17.48941761      8.26702154    -13.03019041
  H     13.68616180      7.75131430    -12.47598621
  H     19.47295601     10.95340685    -11.83815976
  O     15.28526123     12.96359234    -15.90020830
  H     13.79198382     12.15126275    -12.79895839
  H     17.92881230     10.95322132    -11.70921500
  O     15.35908788      9.78268025    -14.07693913
  H     14.60361031     10.84609821    -12.91971332
  H     16.20655181      9.25527057     -7.91152099
  O     10.54251525      9.11976988    -13.34848919
  H     17.75894905     10.54377570    -16.15579867
  H     15.17465205      8.77609873     -8.95666805
  O     16.98920110      7.06264631    -10.55301623
  H     16.92170198     10.21915891    -17.39692679
  H     14.71245410     10.36935717    -17.45229351
  O     11.62511871      6.86955582    -14.38319548
  H     14.91932176      4.66216569    -10.25049406
  H     14.86661866     11.03301217    -18.84128625
  O     18.67113099     10.73528783    -12.30427240
  H     15.61280416      6.02219501    -10.51843255
  H     11.94216259      9.19028812    -12.12105718
  O     16.05631246      9.17552241     -8.84988590
  H     18.52920164      6.97155299    -16.11523552
  H     13.20920398     10.01465339    -11.76474167
  O     15.26671506     10.97340838    -17.97786783
  H     17.76955467      8.31750133    -16.15572739
  H     13.90037360     13.13168932    -14.85099881
  O     12.77110308      9.16347888    -11.62826299
  H     16.12319804      6.67813501    -15.39709762
  H     12.82194567     14.06486566    -14.25561472
  O     13.13928340     13.16597221    -14.24353811
  H     14.93868567      6.52197901    -14.39027047
  H     13.49838302      8.45902689    -16.59353244
  O     13.79858521      9.34870576    -16.37812160
  H     17.76517404      7.94991615    -13.89984379
  H     13.04965013      9.84925676    -16.01492590
          69
 Energy    -249.02971856876891     
  O      1.51981323      1.37998660      3.89314190
  H      2.22451223      1.67937712      4.46077037
  H     -4.40638317      3.46913259      1.38505509
  O     -0.62903250     -2.23053841     -2.90297711
  H      1.01182470      0.71623718      4.39573672
  H     -2.90514934     -0.06723880      7.04986620
  O     -0.05946457     -0.48374027      5.05524946
  H     -0.37399946     -2.97530893     -2.34574930
  H     -3.17979156     -0.31630766      5.54897774
  O     -2.16115724     -0.80854368     -1.04571623
  H     -1.31406202     -1.76155477     -2.40466426
  H     -2.11258369      3.33428461      0.38855638
  O      0.25496017     -4.04636515     -0.81872210
  H     -0.88578078     -0.25414685      5.49714892
  H     -0.83922788      2.51400725      0.02350528
  O      2.04541120     -2.02158164     -0.48562519
  H     -0.29438512     -1.05889438      4.31478637
  H     -3.52749846      0.62328297      0.88475644
  O     -5.05525637      3.27988135      3.07913456
  H     -1.41703271     -0.21641097     -0.86494078
  H     -4.19632849      1.71160223      0.02789398
  O     -0.92986422      2.60278280      3.16709747
  H     -2.95551108     -0.30221747     -0.83300972
  H     -3.12124962      0.12406588      3.06676355
  O      1.35330697     -0.37011598     -2.73167567
  H      0.72184385     -4.87257635     -0.91081143
  H     -2.03556865      1.20016248      2.69616260
  O     -6.19086344      0.60690205      3.43608832
  H      0.92851392     -3.36341000     -0.64804827
  H     -1.29110795     -3.57705506      0.11668988
  O     -4.12602651     -0.95017587      4.22273544
  H      1.97897039     -1.46129978     -1.26875837
  H     -2.11992390     -2.28114653     -0.00548320
  O     -4.07372279      3.53042112      0.47482745
  H      1.97245700     -1.42290255      0.26897302
  H      0.66664045     -0.76795212      1.89410708
  O     -2.60986489      0.16645630      6.17316298
  H     -5.65430367      3.88714483      3.50779949
  H      1.59709955      0.40460524      2.26525049
  O     -1.16395846      3.26210591      0.54220423
  H     -4.36383401      3.07294704      3.73353332
  H     -2.27327981      2.80315783      4.34948660
  O     -4.08386930      0.75773113      0.09960415
  H     -0.04469400      2.29382995      3.38844813
  H     -2.96118889      1.91412483      5.40422788
  O     -2.54424405      0.44892449      2.36330372
  H     -0.91811205      2.94232896      2.25866764
  H      0.49143690      0.66018984     -1.39545805
  O     -2.00611695     -3.07990037      0.53300097
  H      0.65881087     -1.02823746     -2.91446767
  H      0.47557971      0.61138037      0.15214515
  O      1.35996013     -0.18814287      1.54346627
  H      1.75449754     -0.15148729     -3.56811274
  H     -1.07822295     -2.29120338      1.94837278
  O     -3.09466209      2.69161660      4.85177014
  H     -5.89071502      1.49441869      3.21549442
  H     -1.37151900     -0.87703598      2.47094118
  O     -0.01693439      0.92695089     -0.61920273
  H     -6.29665104      0.12609182      2.60026290
  H     -4.59443132     -3.85819557      2.31084088
  O     -0.75805631     -1.62307355      2.56414381
  H     -4.92786794     -0.42872296      4.05042460
  H     -3.46809574     -3.07518154      1.61104867
  O     -4.23165915     -2.98135164      2.20216375
  H     -4.13639301     -1.70985019      3.62941165
  H     -5.45402201     -0.35920706      0.64136987
  O     -6.04917624     -0.94059616      1.13558272
  H     -4.47993399      4.30135005      0.08583478
  H     -5.50958392     -1.69022624      1.41017907
          69
 Energy    -249.02938476270018     
  O     14.33777632      9.17885303    -10.84575212
  H     15.19969036      9.58212764    -10.66971825
  H     15.65438945      5.54762972    -15.32164827
  O     13.52119321     10.66343918    -16.73603837
  H     13.92101127      9.68980508    -11.55240860
  H     18.21561245      3.26176796    -10.95123670
  O     16.39385116     10.85487714    -13.16632830
  H     13.25961260     11.40187564    -16.17276775
  H     17.98551757      4.40944450    -11.96074639
  O     13.64231847      4.51155320    -13.23767963
  H     13.23801696      9.86381343    -16.27165539
  H     20.05393748      7.56487119    -15.03894558
  O     17.19319732      8.28723685     -8.23012605
  H     15.44101107     10.67966429    -13.18195233
  H     18.62645343      8.14977032    -14.95712770
  O     15.91909735     12.88215564    -15.07334673
  H     16.67797351     10.76327898    -12.25038821
  H     12.77937895     13.60201732    -14.72914213
  O     15.63754301      7.25842520    -12.40627297
  H     14.34211835      4.40338011    -13.89058605
  H     14.16410139     12.92528142    -14.87996628
  O     13.62008006     10.45325469    -13.20303711
  H     14.08028120      4.55046283    -12.37634401
  H     13.89683765      8.03948451    -15.18879205
  O     18.26624254      8.04153319    -12.03095846
  H     17.74934822      7.62479810     -8.67907349
  H     12.46875616      7.80379608    -14.64948359
  O     17.03414716      9.98949104    -10.51625119
  H     17.52418116      8.36411542     -7.33921673
  H     16.28035055     11.20099884    -18.18121559
  O     18.08624912      4.91554172    -13.63981247
  H     16.22798989     12.32885107    -14.34281199
  H     15.20604186     10.83874532    -17.12859762
  O     15.75746965      4.58433692    -15.23212239
  H     16.11125369     12.38105466    -15.87523307
  H     10.94604465      6.18685418    -13.32866687
  O     17.85976502      4.14289391    -11.03255597
  H     15.13042490      7.91622624    -11.91390190
  H     12.39090619      5.73055452    -13.58194062
  O     19.20769159      7.45126323    -14.61278333
  H     15.48207012      6.40857693    -11.97394959
  H     14.38349878      7.71021995     -9.60091741
  O     13.21040053     12.75366765    -14.78263508
  H     13.37183545      9.73913559    -13.80812112
  H     15.55158274      7.36136004     -8.67899345
  O     13.04055804      8.46947161    -15.05903595
  H     13.35181670     11.27959787    -13.62207802
  H     16.04814310      4.60392410    -10.83699544
  O     16.15827812     11.00274908    -17.25675442
  H     18.75293656      7.88866067    -12.84679188
  H     14.99406234      5.56346046    -10.18116244
  O     11.74684847      6.42910779    -13.78574378
  H     17.36913830      7.70093023    -12.17800798
  H     18.67757766      7.07426271    -10.51720827
  O     14.76321793      6.98493881     -9.08779120
  H     17.57072853      9.39435465    -11.06335586
  H     18.42086519      5.65363825    -10.01065267
  O     15.15636455      4.96151154    -10.92426804
  H     17.08313577      9.61130181     -9.62897722
  H     15.53797057      7.25241717    -14.13879299
  O     18.64800534      6.54105100     -9.71023591
  H     18.48066893      5.71395499    -14.00639811
  H     16.18387655      7.99809418    -15.33154733
  O     15.55524782      7.30181924    -15.11022560
  H     17.32582185      4.70855697    -14.19821969
  H     17.07115650      9.92581119    -16.08012232
  O     17.39148593      9.39977973    -15.33601196
  H     15.58975868      4.20821866    -16.09276746
  H     17.12813704      9.86933937    -14.53053869
          69
 Energy    -249.02917898595427     
  O     10.55114754      9.89696494    -13.61708108
  H     11.46069093     10.16473944    -13.82853924
  H     16.98749305      4.83053712    -16.70334693
  O     14.48497720      6.10480757    -14.58389158
  H     10.00116627     10.66240639    -13.76593781
  H     18.32518801      6.27972969    -13.49988916
  O     16.41833083     10.79911010    -10.60630630
  H     13.96867464      6.76127489    -15.07591212
  H     18.57170400      7.40363957    -14.52943215
  O     16.94933218     10.26694330    -17.02703002
  H     15.18099870      5.77532198    -15.16592526
  H     16.18796464     11.67845958    -14.29572442
  O     13.18538953      8.16723125    -15.84757555
  H     16.18973681     11.35487089     -9.86489064
  H     15.93978806     11.24809649    -15.74855682
  O     14.90325706      6.78808701     -8.60502142
  H     15.58586079     10.41735966    -10.93766122
  H     15.41743114      7.43201729    -13.78875551
  O     13.11819394      5.41760042    -12.29788869
  H     17.26990428     10.58716955    -17.86534561
  H     16.56315574      8.49732107    -13.89426015
  O     14.27720144      9.55229792    -11.69499516
  H     16.43195141      9.46137621    -17.21197387
  H     11.18739682      7.90605056    -11.02626178
  O     15.55011632      8.00727667    -17.35160221
  H     13.26467568      8.94966281    -15.28704369
  H     10.42775144      8.68377147    -12.13639448
  O     15.41958366      4.84847191    -10.71239015
  H     12.26742428      7.86696693    -15.76999301
  H      9.62616559      5.08230758    -12.78472146
  O     18.07708045      9.23341282    -14.67875216
  H     15.02289234      6.60349178     -7.67734627
  H     10.28208611      6.43326045    -12.40837422
  O     16.67378909      5.60074318    -16.23715717
  H     15.68513789      7.29090757     -8.89454354
  H     18.27473521     12.19379935    -12.84079131
  O     18.51892919      6.44341536    -14.43220973
  H     13.60470965      5.59291922    -13.11674614
  H     17.27953769     11.24554659    -12.14079911
  O     15.50838990     11.63785501    -14.97753819
  H     12.18790289      5.33747102    -12.54139128
  H     16.83876914      5.73122590    -11.44997685
  O     15.87612358      8.14079756    -13.31816252
  H     14.86707429      9.04190030    -12.27703236
  H     16.89144026      7.02840800    -12.28617968
  O     10.35914752      7.94094825    -11.52396055
  H     13.74829378      8.90909934    -11.20517280
  H     16.99362051      9.01112830     -9.94213246
  O     10.37992244      5.63826247    -12.96370683
  H     15.94065900      7.17370236    -17.06437283
  H     17.37188977      7.55304125    -10.30556846
  O     17.66847427     11.47340773    -12.99938131
  H     14.66952268      8.05886609    -16.95486438
  H     13.50524492      7.28060571     -9.71581910
  O     17.44464554      6.40520783    -11.79312627
  H     14.61372231      4.86930016    -11.24433356
  H     13.01823078      6.78304235    -11.10133526
  O     17.06769332      8.12152181     -9.58385786
  H     15.22084218      5.36311388     -9.92134884
  H     13.93045508     10.93727341    -14.48220647
  O     12.93042427      7.50366173    -10.45874006
  H     18.08649661      9.98646237    -14.07441193
  H     13.50375623     10.16180655    -13.21713509
  O     13.20798359     10.41686522    -14.10247296
  H     17.79452766      9.57470625    -15.53795577
  H     10.45261761      8.28635267    -14.68530003
  O     10.63050505      7.47270986    -15.17431659
  H     17.37583214      5.85653990    -15.61257727
  H     10.52952802      6.75705458    -14.53546299
          69
 Ord_Energy   -249.029175    
 O  -0.590363801       8.80643463      -15.3025789    
 H  -0.794852614       9.72648525      -15.0582705    
 H  -0.946970999       8.67139435      -16.1772614    
 O    5.48308849       11.8371344      -10.0538158    
 H    5.17598343       11.0959263      -9.51881313    
 H    4.73796940       12.4485807      -10.1055117    
 O    2.05405259       6.42088604      -12.3278408    
 H    1.22997856       6.44823647      -11.8260422    
 H    2.72588611       6.83089304      -11.7699366    
 O    4.51907110       9.24162579      -14.9423838    
 H    5.06901217       8.80160713      -14.2829924    
 H    3.66065121       8.79769993      -14.9215603    
 O   -1.36852217       11.2738657      -14.4653740    
 H   -2.10170770       11.0530748      -13.8760567    
 H  -0.897117913       11.9945230      -14.0329905    
 O  -0.295241445       12.9652758      -8.71663094    
 H    4.56184894E-02   13.7197819      -9.21241283    
 H   0.466897994       12.4051132      -8.51947784    
 O   -1.89629114       7.94727993      -12.9095497    
 H   -2.42690253       8.73046207      -12.7200193    
 H   -1.45674253       8.12465858      -13.7499542    
 O    1.90962291       11.1005173      -8.77071571    
 H    1.33943081       10.4533958      -9.21031094    
 H    2.72542548       10.6263533      -8.56690121    
 O    2.63900638       12.4204063      -12.9455948    
 H    2.92851114       12.7065744      -12.0669575    
 H    3.41020131       12.3527250      -13.5227976    
 O  -0.448800236       6.74399424      -10.9687757    
 H   -1.00130749       7.12566185      -11.6754436    
 H  -0.955850363       6.04186773      -10.5704508    
 O   -1.31337917       11.4078455      -10.7359791    
 H  -0.782889187       10.6096554      -10.5967150    
 H   -1.13564157       11.9877615      -9.98253345    
 O    2.11686254       9.79961205      -12.3273239    
 H    2.32398009       10.7075691      -12.5776796    
 H    2.05267072       9.27143383      -13.1338024    
 O    3.96735978       8.19724369      -11.0253077    
 H    4.75563526       8.14369011      -11.5828552    
 H    3.36599636       8.81862545      -11.4631729    
 O    4.82178116       11.9033737      -14.5793037    
 H    4.69153738       10.9573441      -14.7769928    
 H    5.16854334       12.3048849      -15.3714399    
 O   -3.43715884E-02   13.0728359      -12.6448498    
 H  -0.410465121       12.4393492      -12.0162830    
 H   0.880205512       12.8118019      -12.8338337    
 O    2.01002359       8.09681606      -14.5127382    
 H    1.11687958       8.25800705      -14.8401356    
 H    1.98077440       7.38030720      -13.8592253    
 O   0.737396777       14.8549061      -10.6406422    
 H   0.557235777       15.7744904      -10.8185987    
 H   0.404610634       14.3517780      -11.4018908    
 O    4.29796410       9.59172440      -8.67313862    
 H    4.71583796       9.05608749      -8.00354195    
 H    4.19466448       9.02856922      -9.45883751    
 O    6.52228642       10.9494886      -12.4498549    
 H    6.03018904       11.4114828      -13.1370449    
 H    6.22160864       11.3074856      -11.6010780    
 O   -3.19830871       10.4528427      -12.4398127    
 H   -2.60673976       10.8343163      -11.7673416    
 H   -4.08622885       10.7065783      -12.2025404    
 O    6.14850569       8.31037998      -12.7629595    
 H    6.35990620       9.25281620      -12.6220789    
 H    6.97770596       7.85226917      -12.8669281    
 O   0.400826424       9.32325172      -10.2922287    
 H   0.985536397       9.48127365      -11.0516405    
 H   0.101195671       8.41014194      -10.3596840    
 O    2.99732018       13.1716337      -10.3074989    
 H    2.34895587       13.8849249      -10.3359909    
 H    2.60117126       12.4587908      -9.78399944    
          69
 Energy    -249.02893220452745     
  O     16.07510338     11.65167999     -9.58920180
  H     16.24422028     12.08392023     -8.75603145
  H     14.16459000      7.93486599    -13.97033758
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  H     13.18860861      6.46424915    -10.99379360
  H     17.51932862      7.35602806    -14.75170465
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  H     17.64667222      9.72613367    -13.55642604
  H     18.04983036      6.06051673    -15.40332863
  O     14.42596631      7.41473465    -10.06508152
  H     17.15791962     10.87191287    -12.61948385
  H     15.92535766      8.96188304    -12.54835078
  O     14.87216551      9.75203199    -16.06238973
  H     17.98288459      9.02878818    -16.03838210
  H     14.95836050      8.03817252    -11.73419129
  O     14.29924206     11.67401435    -14.17790404
  H     16.58254075      9.38870795    -15.46927378
  H     13.24852772     10.20237607    -10.46146468
  O     15.99091870      5.82500697    -17.95975872
  H     16.14271525     12.27634790    -11.30313277
  H     14.44234366     10.63856574     -9.58728068
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  H     16.70432770     13.34968824    -12.26023935
  H     14.38319424      3.29166563    -13.00176787
  O     16.91091543      5.52306254    -12.01766862
  H     14.18326363      8.30264141     -9.76027597
  H     14.61252848      4.57983362    -13.82167354
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  H     13.66176168      9.64639459    -12.39873161
  O     15.00050878      5.48591510    -15.32259366
  H     14.68740426     10.52902511    -15.51461975
  H     12.14094904      9.49171404    -12.55631031
  O     17.55520883      6.39558174    -14.64459884
  H     14.33522505      9.03369472    -15.69823736
  H     17.10371359      6.28845296    -10.47424622
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  H     17.54519301      6.12486875     -9.00120929
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  H     13.62886075     11.27940362    -13.60399987
  H     19.07190043      4.97105116    -17.59707184
  O     14.48307089      4.23743949    -12.92187182
  H     15.80140463      6.74842932    -18.16885117
  H     17.68178149      5.65051846    -17.53335351
  O     12.82445373     10.13048439    -12.32110652
  H     15.49896012      5.61853411    -17.15425744
  H     17.53218855      8.55646637     -9.74016791
  O     17.11912141      6.72789432     -9.60432368
  H     11.69829140      7.18190271    -12.55650775
  H     17.77680947      9.58155390    -10.86967607
  O     18.58945556      5.67908408    -17.17947211
  H     10.33756401      7.65716500    -13.12173112
  H     15.33321173      9.08060328    -19.19578739
  O     17.65692173      9.49671881     -9.91231561
  H     16.09446403      5.04925349    -12.21373037
  H     15.38467717      9.10298647    -17.65413266
  O     15.71907855      8.64206499    -18.44114651
  H     17.24622721      5.83605874    -12.86740082
  H     18.69025602      7.56984130    -17.59188643
  O     18.50933050      8.51387288    -17.68283946
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  H     17.63600040      8.57689698    -18.09085031
          69
 Energy    -249.02829743201409     
  O     10.97423250      9.54961779    -11.91925464
  H     10.23984622     10.12760249    -11.72747285
  H     16.13820989      4.63302543    -17.23805720
  O     14.61798185      6.58185563    -14.72051038
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  H     18.39586554      6.79378835    -14.62737089
  O     16.58890521     12.01391469    -11.31115538
  H     15.14188842      6.07086970    -15.34729426
  H     17.77904176      6.16212891    -15.89856355
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  H     15.13600801      7.36207568    -14.46656984
  H     15.20127368     11.26642979    -15.81405729
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  H     15.82133202     11.48136163    -11.58026257
  H     14.01523697     10.71023802    -16.62438484
  O     15.81573288      8.04573998     -9.45489151
  H     16.25545248     12.87271992    -11.06453854
  H     16.31362097      9.40884921    -14.47334974
  O     13.71547972      6.17659473    -12.13443181
  H     19.05190290      9.02722508    -17.73714874
  H     15.52087171      9.26811586    -13.14966753
  O     14.54053037     10.36749935    -12.06975174
  H     18.41383064      8.17484588    -16.61408766
  H     19.03735323      9.35236341    -11.00495504
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  H     20.52488943      9.13313623    -11.37687106
  O     16.33073583      5.73066342    -11.08952161
  H     11.70238351      7.52931265    -14.77235852
  H     10.88460356      7.74392566    -12.65110881
  O     16.95908373     10.72775864    -15.51457654
  H     16.01828765      7.22280810     -9.91568460
  H     11.81576115      6.51869536    -12.71673672
  O     16.21075786      5.40491239    -16.68388953
  H     14.88065993      8.21272291     -9.62189943
  H     17.89185280     11.59955943    -12.63212293
  O     18.47181283      6.75891986    -15.58862012
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  H     18.95790326     10.51684339    -12.86822741
  O     14.24749774     11.35566340    -15.94562949
  H     13.96829612      6.25150035    -13.06629009
  H     18.62792831      7.73488350    -12.43025566
  O     15.97728827      8.76591463    -13.83525963
  H     13.87829592     10.46707463    -12.76717544
  H     17.26266847      7.74867306    -13.15823270
  O     19.63920353      9.08588634    -11.72567146
  H     14.18077619      9.73015303    -11.43809459
  H     17.14164109      9.25679913     -9.66292585
  O     11.06508599      6.93970250    -13.15290255
  H     15.03733226      8.24812588    -17.92945409
  H     17.42144952     10.67129164    -10.23221579
  O     18.48154483     11.23284868    -13.30355108
  H     16.59252033      8.24534440    -17.86887246
  H     12.76804934      9.28291391    -18.32536215
  O     17.95337244      7.15978431    -12.81566029
  H     16.77206444      4.94351073    -10.77938392
  H     12.92908002      8.70547478    -16.90328717
  O     17.84931227      9.87718652     -9.89199798
  H     16.94193102      6.16769749    -11.70561298
  H     13.36037125      7.64272854    -11.11325398
  O     13.39984684      9.16282184    -17.61960395
  H     17.56133528     10.99257950    -14.80111752
  H     12.37826955      8.81079659    -10.84206720
  O     13.22856217      8.44011596    -10.57774747
  H     17.46657575     10.21473724    -16.15572031
  H     13.10765554     10.87918238    -14.66211031
  O     12.58394088     10.34996814    -14.04082221
  H     16.04169897      6.18067471    -17.25109043
  H     12.48597422      9.48669363    -14.46541228
          69
 Energy    -249.02811688257657     
  O      1.57930310      1.65071974      2.64082957
  H      1.90952793      0.79454554      2.94999563
  H     -4.40436263      0.52830355      5.15152996
  O      0.88844999      2.05509134      0.07522833
  H      1.06933031      2.01494769      3.37207183
  H     -0.92200012      1.92441534      0.47540798
  O      1.24864939     -5.09853542     -1.74979655
  H      1.17683389      1.89936387      0.99468423
  H     -2.41022221      1.45038380      0.25947745
  O     -1.52666035     -2.60710560     -3.89051910
  H      1.35415433      2.82915396     -0.22969954
  H     -0.58714840     -5.21887067     -2.38915794
  O      1.22343960     -2.64066334     -2.93704879
  H      1.32032735     -4.21710212     -2.15776808
  H     -1.89252712     -4.71472246     -1.76271789
  O     -2.36933679      2.88613309      3.39046515
  H      1.98834130     -5.60817981     -2.07009340
  H     -1.08216686     -0.43024489      3.17117851
  O     -1.76885754     -1.24989205     -1.45087581
  H     -1.57275955     -3.50553244     -3.51527598
  H     -1.38044905      0.17965912      1.77801341
  O      0.87804267     -0.43865420     -1.23536174
  H     -1.86008134     -2.66326017     -4.78154358
  H      0.75610779     -4.80539475      0.06210416
  O     -4.56770105     -0.47390736      1.85298035
  H      1.28778652     -1.83905237     -2.40071879
  H      0.73459486     -3.55904332      0.98449542
  O     -0.72395271     -3.99289181      3.47628275
  H      0.38085603     -2.57365851     -3.40126549
  H      0.05297225     -2.94192359      4.62651935
  O     -2.98115300     -2.73475626      2.24863494
  H     -2.19287508      2.60634184      2.48078567
  H      0.77177448     -2.82087288      5.98854746
  O     -3.82685507      0.64810483      4.40104717
  H     -3.01239639      2.25592146      3.73775062
  H      0.31884216     -1.44922043      1.56696308
  O     -1.77192075      1.77001493      0.90791541
  H     -1.82749071     -1.59101009     -2.35432335
  H      1.19664993     -1.39817278      0.29688432
  O     -1.50179202     -4.99628709     -2.60219879
  H     -2.53258206     -0.68917824     -1.26767299
  H      0.09397248      3.18963565      5.41006109
  O     -1.14795615     -0.63974021      2.23119417
  H     -0.06577549     -0.65947161     -1.27717326
  H     -0.90129772      2.73240821      4.31337345
  O      0.38619429     -4.45992802      0.88320196
  H      0.94677458      0.45106493     -0.86903860
  H     -0.70798725      0.72831045      5.04614244
  O      0.45170732     -2.30882366      5.25047073
  H     -4.39498541     -0.01275361      2.68187852
  H     -0.63163515     -0.83316469      5.20681305
  O      1.10280968     -1.83916135      1.14985636
  H     -4.21159792     -1.36395017      1.98337287
  H      2.05905190     -1.31676317      2.64940580
  O     -0.09835623      2.47909439      4.80439108
  H     -0.29420820     -4.32697588      2.67910585
  H      1.76765006     -1.36722189      4.15473892
  O     -1.21285187     -0.09398775      4.98307739
  H     -1.59707640     -3.69082492      3.19632062
  H     -1.25858006     -4.02507914      0.21616549
  O      2.28292058     -0.89548287      3.49160502
  H     -2.35174524     -1.99549607      2.23365194
  H     -1.95659229     -2.86762084     -0.55423613
  O     -2.10202071     -3.74297332     -0.16839170
  H     -2.85667431     -3.20182604      1.41016306
  H     -4.56038336      0.84723003     -1.00897288
  O     -3.80429852      0.47029952     -0.56715799
  H     -2.95868347      0.29985219      4.66347773
  H     -4.12275854      0.12765550      0.28855189
          69
 Energy    -249.02721795595266     
  O     17.59586405     10.72101479    -16.51795528
  H     17.43695570      9.93288395    -17.03121360
  H     17.60719072     13.71350222    -17.99423354
  O     19.19072572     17.66985482    -14.14644769
  H     17.65557350     11.45969132    -17.15020896
  H     13.87126553     13.55644132    -10.80730868
  O     20.29603226     11.43548108    -15.77120201
  H     18.31543887     17.30082704    -13.95797297
  H     14.45480599     13.81270928    -12.21685083
  O     16.85743900     15.46800741    -11.12094852
  H     19.48936950     18.11541994    -13.34349234
  H     20.50767281     16.31955894    -14.06771225
  O     14.87027970     16.04283351    -15.77531368
  H     19.40162669     11.09131446    -15.87735287
  H     21.45283491     15.57789009    -15.03491932
  O     16.74208823     11.74833991    -11.83407153
  H     20.30835989     11.93766198    -14.94431088
  H     18.20312239     14.18205485    -11.18199609
  O     14.20844859     13.87382170    -13.94758836
  H     16.79014596     15.88971433    -11.98890123
  H     19.57111991     13.84287724    -10.55514697
  O     20.77827549     12.97328760    -17.94215279
  H     16.07402820     14.91040319    -11.03270941
  H     16.56400554     11.36359989    -15.12811507
  O     21.37263391     15.50915073    -16.81800863
  H     15.62474142     15.80452551    -16.33914863
  H     16.37426625     11.67837827    -13.59071709
  O     18.82634142     16.91613084     -9.74905705
  H     14.23437062     16.47661613    -16.33862062
  H     19.32325813     18.24004113    -17.34101716
  O     20.16254512     13.17882066    -13.59928906
  H     17.55535379     12.17403489    -11.53593301
  H     19.21153919     17.58202611    -15.94892869
  O     17.95333758     12.83843859    -18.20495038
  H     16.02349566     12.31275092    -11.52187731
  H     21.66749980     15.93568849    -10.91417580
  O     14.68697279     13.71023088    -11.27628748
  H     14.34773099     14.58455471    -14.58145935
  H     21.88705628     16.17934693    -12.43156206
  O     21.22479435     15.67338523    -14.09809333
  H     14.75058397     13.12882905    -14.24781487
  H     20.86860133     17.94475887    -11.61614172
  O     18.89395376     13.50513796    -11.15422628
  H     20.68250979     12.40767943    -17.15406266
  H     20.52998506     19.44217332    -11.41688841
  O     16.09830355     11.91733771    -14.49004652
  H     21.42780350     12.55501289    -18.50167247
  H     21.02170989     14.83591962     -8.66370259
  O     19.17456939     17.40484804    -16.90366012
  H     20.64440546     16.10994152    -17.01223572
  H     20.04011115     15.67433582     -9.51996858
  O     21.95781867     16.59162944    -11.55923039
  H     21.16253881     14.66949504    -17.24600906
  H     17.18188065     13.33687395    -14.63499952
  O     20.15754448     18.60811058    -11.69094027
  H     19.13757645     17.57288190    -10.38266100
  H     18.66215095     13.76262325    -14.40726575
  O     20.70027137     14.95755510     -9.55316453
  H     18.05015075     16.49444982    -10.14386285
  H     17.85451143     16.08732772    -17.14702023
  O     17.80603103     14.06901957    -14.72880235
  H     19.77379733     13.20585911    -12.71450513
  H     17.50986565     14.84341969    -16.29448345
  O     17.23104378     15.35445032    -17.07279780
  H     20.64044971     14.01062559    -13.73007360
  H     17.18403737     15.53661955    -13.99406229
  O     16.79569877     16.38630341    -13.72388487
  H     18.91467733     12.93577017    -18.23553574
  H     16.02725415     16.50327477    -14.29232736
          69
 Energy    -249.02712848868970     
  O     13.82375014      4.68252451     -9.82561960
  H     13.84790094      5.49626978     -9.30664627
  H     12.59179731      8.07978377    -14.95201998
  O     15.74596401      8.37853358    -16.22014116
  H     14.72832814      4.53208693    -10.12493631
  H     16.10939425     10.45056638    -11.11775213
  O     18.32977875      8.85724208    -13.04386640
  H     15.60074163      8.36358940    -17.16329979
  H     17.05160325      9.45339451    -11.89176478
  O     15.42598898     12.14217472    -11.02326652
  H     14.87356620      8.47569110    -15.80466740
  H     15.00036327      8.66133719    -12.02546119
  O     11.24626245      6.85997706    -14.80839400
  H     17.94209039      8.12484909    -13.54209713
  H     13.56388227      8.20963868    -11.67205674
  O     18.66738113      5.07512560    -12.69398915
  H     18.80838736      8.44831363    -12.30811709
  H     12.38955959      4.44767143    -10.78009095
  O     12.55431587      4.66513287    -13.95402092
  H     15.41810470     12.31296428    -11.98412564
  H     11.05976091      3.67164666    -10.90155589
  O     16.61204336      7.30974741     -9.61287197
  H     15.73939960     12.93723180    -10.60192103
  H     14.68737586      6.50150528    -12.80812243
  O     12.75597169     11.07853831    -11.23824044
  H     11.70908771      6.03386697    -14.57508115
  H     15.44457166      5.23948338    -12.33386760
  O     15.28699178     12.38679568    -13.68589980
  H     10.51043475      6.61466481    -15.36272871
  H     16.63027981      9.90118982    -15.41114519
  O     12.68304724     11.27482949    -14.13593312
  H     18.24587638      5.59429551    -13.39715284
  H     17.63197641     10.13347578    -14.26877291
  O     13.34701170      8.67463467    -14.85404440
  H     19.28407685      4.48687369    -13.12369316
  H     16.39967417      6.26675250    -14.02347143
  O     16.33839559      9.52174035    -11.24235092
  H     13.47211175      4.90776499    -13.76722344
  H     16.81390004      7.19187892    -15.17968981
  O     14.24827169      8.14757932    -12.34918072
  H     12.17878335      4.42082685    -13.09821641
  H     19.16340504      6.47766915    -11.43124799
  O     11.57953560      4.35719526    -11.31269724
  H     16.54285411      8.11989220    -10.13998505
  H     18.49263186      7.27606882    -10.29883568
  O     15.01850327      5.63912936    -13.10288290
  H     15.79512402      7.27092035     -9.10077763
  H     11.00162033      6.12171941    -11.67694113
  O     17.02584669     10.59018297    -14.86591034
  H     12.64369201     11.16696450    -12.19198858
  H     10.87872176      7.08650813    -12.86974441
  O     17.17089371      6.67328505    -14.44930087
  H     13.61170390     11.47830231    -11.04100047
  H     17.26659733      4.72129350    -11.40121927
  O     19.22162253      7.30072711    -10.93016381
  H     15.92175265     11.81650724    -14.14537106
  H     16.55307484      5.68668412    -10.42451888
  O     10.81244683      7.04050175    -11.91033714
  H     14.40721278     12.09014610    -13.94496008
  H     13.41438539      7.71305437     -9.09943351
  O     16.46786512      4.83023084    -10.87256278
  H     12.87568628     10.38484899    -14.46976355
  H     13.70429803      7.39361431     -7.61542422
  O     13.99106468      7.20200453     -8.50484160
  H     11.95540550     11.61181368    -14.65341237
  H     11.72348475      8.08103498    -10.79054451
  O     12.41227937      8.53445049    -10.28092506
  H     13.69594789      8.52786193    -13.95938134
  H     12.43493263      9.46877801    -10.53842944
          69
 Energy    -249.02697011710751     
  O     13.93736771      8.62777380     -9.34632308
  H     14.39737598      9.45061818     -9.59328068
  H     15.05992588     11.05199044    -14.21413079
  O     16.64427070      4.98676028    -13.40644836
  H     13.36766956      8.83995275     -8.61236488
  H     16.20714415      6.77374526    -13.37451913
  O     11.65776966      8.26318873    -14.06368386
  H     15.95021768      4.76017928    -12.77385441
  H     16.59715289      8.29044412    -13.25909124
  O     17.99186622      7.59385621    -10.57960251
  H     17.48760375      5.08319284    -12.94564226
  H     15.08184592      5.86985046    -10.55929626
  O     12.65637929      5.53677290    -13.90638042
  H     11.35115369      9.17594277    -14.11453738
  H     15.00390895      7.10172388     -9.62512317
  O     13.84865430     11.00245600    -12.81629477
  H     12.29206030      8.25073971    -13.32833102
  H     20.00038519      5.32644626    -12.34890652
  O     13.06720565     10.95228534    -16.41561107
  H     18.46628213      6.97108967    -11.13970995
  H     19.23641927      6.38589269    -13.18184351
  O     16.11790482      4.98316577    -16.14304020
  H     17.17008145      7.15221377    -10.31774958
  H     13.89885539      3.91446740    -11.52762818
  O     15.55446999      8.45272031    -15.97262168
  H     12.92213689      5.38283406    -14.82132907
  H     13.70288867      5.03426009    -12.56981123
  O     13.48071096      5.31643506    -16.63808221
  H     12.14016479      6.35027136    -13.91949442
  H     17.84832893     10.07997174    -12.59465851
  O     17.77794556      7.18568988    -16.91527574
  H     13.77725779     10.07155436    -12.55665498
  H     17.17852061     10.37864511    -13.97713045
  O     15.66532078     11.05056537    -14.97087278
  H     12.99175632     11.22398358    -13.19892316
  H     18.80641049      7.38134413    -15.32018934
  O     15.86118281      7.67440727    -13.36777527
  H     13.96853050     11.12613266    -16.12145931
  H     18.82390764      8.40814609    -14.16701788
  O     15.59173706      6.40288124     -9.93867199
  H     13.02995865     10.02209873    -16.67364158
  H     18.60853998     10.64596828    -10.24851376
  O     19.15570582      5.75889032    -12.43911955
  H     16.32845676      4.88055751    -15.20433928
  H     17.95903101      9.29486348    -10.64410073
  O     14.30274921      4.70482581    -11.87825265
  H     16.75790528      5.61441673    -16.49088438
  H     12.43664897      8.12891863    -15.71280041
  O     17.75709014      9.76801176    -13.50444914
  H     14.64442664      8.31731465    -16.26500193
  H     13.01615972      7.13302819    -16.74359935
  O     19.18765262      7.55848798    -14.45239598
  H     15.60876022      8.10334936    -15.06979062
  H     14.77348993     11.12152752    -11.12520560
  O     17.90537966     10.26225507    -10.76542269
  H     13.19753002      4.61180051    -17.21487334
  H     16.11435917     10.71705912    -10.45687916
  O     12.89751469      8.07480524    -16.56360490
  H     14.43559702      5.19060581    -16.49217983
  H     11.92817270     11.13629660    -15.09187280
  O     15.17198441     10.84712992    -10.28997596
  H     18.05903962      7.49591341    -17.77246618
  H     10.69083141     11.75577351    -14.40141751
  O     11.39246891     11.12218383    -14.27834280
  H     16.99530623      7.70978703    -16.67018624
  H     14.37662744      8.01278770    -12.46719161
  O     13.53868548      8.33814063    -12.10415601
  H     15.64517675     10.16293484    -15.35976696
  H     13.60000484      8.33625123    -11.14264023
          69
 Energy    -249.02688235366901     
  O     13.61162315     13.36989439    -14.43401706
  H     14.18148877     13.77776515    -15.09558240
  H     18.12317374     11.28287584    -15.74918672
  O     17.65328559      7.23272197    -13.75582451
  H     13.19980779     12.61909372    -14.87998659
  H     15.30688470      9.06904352    -19.58591465
  O     19.38057412     11.85938552    -12.63950587
  H     17.46476071      7.41684349    -14.68284261
  H     15.16385325      9.93053997    -18.31239487
  O     17.49383603     14.38793768    -14.81173897
  H     16.92655827      6.68014528    -13.44245664
  H     16.90849764     10.26273939    -12.86949779
  O     15.32271522      5.82314732    -12.86352734
  H     18.65288296     12.42052242    -12.33944117
  H     16.42640415     11.73365481    -12.95900688
  O     16.60131071      9.33717997     -9.79909053
  H     19.13746124     10.95371243    -12.40409093
  H     12.66252593     10.18901629    -16.27992444
  O     14.75071319      7.37937995    -10.72897262
  H     18.20757660     13.80854362    -15.10546365
  H     13.16337390     10.57398148    -14.88120085
  O     14.21307213     13.49225578    -11.77331447
  H     16.80475729     14.34530836    -15.48516748
  H     17.75871007      9.23162423    -11.25446688
  O     12.78729190      8.52831264    -17.06813840
  H     15.11139774      6.35114030    -12.07273059
  H     18.12030469      8.53994457    -12.62164767
  O     16.65584345      8.14809928    -16.33556092
  H     15.27387595      4.90698437    -12.60474039
  H     11.68438207      9.22904338    -11.12086020
  O     14.33505333      7.40146803    -14.95449474
  H     16.91162307      9.42048574     -8.90081945
  H     12.97196933      9.43107621    -11.95756421
  O     17.29776328     10.78678120    -15.79874572
  H     15.94238904     10.04230394     -9.93125214
  H     16.08859817     13.56982865    -12.02233285
  O     15.17514718      9.01722840    -18.64233344
  H     15.43797618      7.95100349    -10.36540710
  H     17.11940238     13.83392657    -13.16384329
  O     16.24791389     10.83969462    -13.27836463
  H     13.95212992      7.91997742    -10.76017688
  H     20.41824985     12.50237377    -15.57933311
  O     12.90645201     10.95149629    -15.73564847
  H     13.97038483     13.42782721    -12.71360435
  H     19.55253383     12.19018339    -14.33550016
  O     18.23451736      9.34102062    -12.08801434
  H     13.69775623     14.20881883    -11.41075659
  H     15.92949059     11.26392136    -16.80908449
  O     12.63452214      9.27060050    -11.05747768
  H     13.16143870      8.00377124    -16.34707997
  H     14.36356176     11.30716599    -16.76708083
  O     16.97571913     13.35457748    -12.33143901
  H     13.48466336      8.57460343    -17.73246759
  H     14.47431921     11.92417607    -10.70582890
  O     19.51741503     12.39086054    -15.28928806
  H     16.24621606      8.23092598    -17.20478714
  H     13.82436900     10.56712190    -10.36294667
  O     15.13674494     11.48127180    -17.32549908
  H     16.99201376      9.03343003    -16.13086478
  H     15.04012495     14.76505177    -17.33058945
  O     14.58778993     11.12798336    -10.17429458
  H     15.15087785      7.64224066    -15.41729298
  H     15.25410873     13.26972078    -17.00937949
  O     15.30761097     14.16471585    -16.63853685
  H     14.57811819      6.74885163    -14.28577788
  H     13.96422160      8.84668374    -13.95211672
  O     13.79717836      9.66675461    -13.46614627
  H     16.89539198     10.82703789    -14.91758135
  H     14.64938391     10.10976163    -13.33606615
          69
 Energy    -249.02683358150051     
  O     12.75072462      2.75559333    -17.96301086
  H     12.03952225      2.44925778    -17.38913048
  H     13.05011497      0.29602956    -19.51951774
  O     16.84362685      4.36885464    -18.72087948
  H     12.76025156      2.16461467    -18.72824723
  H      9.71404800      2.09546123    -19.92469379
  O     12.48442425      5.36718645    -18.78624177
  H     17.02496335      3.53233416    -19.18779727
  H     11.11171879      1.72454425    -20.49052080
  O     12.49964788     -0.18947133    -15.69147734
  H     17.67551838      4.82692300    -18.63599200
  H     16.87835990      1.28895002    -19.28911821
  O     14.69877053      2.35346737    -21.42188614
  H     12.56786109      4.45633757    -18.46399997
  H     16.29938479      1.96234861    -20.55806178
  O     13.71814652      2.20943717    -14.63350924
  H     11.73859903      5.36609088    -19.40408250
  H     14.70017754     -0.42535804    -18.07610977
  O     10.96491733      5.75550701    -23.16375382
  H     11.76670902      0.39637003    -15.94762392
  H     13.34839339     -0.57649716    -17.35767183
  O     14.66509566      4.97564736    -20.43485984
  H     12.11634273     -0.89783678    -15.17920787
  H      9.17834328      5.08192015    -19.06662960
  O     10.65681953      1.71413542    -16.38488879
  H     14.63703516      3.25655882    -21.07760407
  H      9.36480557      5.21266033    -17.54069319
  O     10.99383613      2.89119686    -23.35881537
  H     14.42495457      2.38847897    -22.34739339
  H     15.99321668      1.24443979    -17.31295103
  O     10.35433216      5.03690474    -20.53401360
  H     14.38194248      2.49148961    -15.27616696
  H     16.97239577      0.08488617    -17.01585580
  O     12.69969131      0.99935612    -20.08658100
  H     13.43907803      1.32755910    -14.90968651
  H     14.39629132      2.83066854    -17.28646944
  O     10.30641942      2.23215004    -20.67245884
  H     10.72448700      6.46606541    -23.75155079
  H     15.80470947      3.48290362    -17.39327226
  O     17.05578734      1.96447484    -19.95460156
  H     11.93825376      5.73647339    -23.12529120
  H     12.27906191      3.23341569    -14.52199921
  O     13.77782358     -0.67362926    -18.21631503
  H     15.44537978      4.92316426    -19.87082205
  H     11.20119333      3.92365785    -13.65476970
  O      8.77318238      4.85539435    -18.21902167
  H     13.92231096      5.21712659    -19.86260104
  H     13.75466996      2.33266311    -24.82798757
  O     16.34579991      0.40725719    -17.65936751
  H     10.68540394      2.43119835    -15.73665355
  H     12.67797543      2.70105790    -23.77833398
  O     15.28464145      2.84116981    -16.89569779
  H      9.91959330      1.85962191    -16.99160354
  H      7.77169922      1.88187936    -18.31553647
  O     11.41780826      3.68519077    -14.55272036
  H     10.65160062      2.56901066    -22.51549419
  H      8.64703083      3.15823023    -18.23866252
  O     13.63404601      2.71931547    -23.96524293
  H     10.83326354      3.84333967    -23.37067050
  H     13.78785116      4.58004619    -23.44405446
  O      8.67575323      2.18398869    -18.29210344
  H     10.37710247      4.07190375    -20.61063730
  H     14.08008348      5.40847148    -22.17313487
  O     13.65730405      5.44731666    -23.04103986
  H     10.48367415      5.39240144    -21.42103045
  H     11.46874774      5.75465788    -17.17742834
  O     10.77941039      5.71550263    -16.50224981
  H     13.43010216      1.37060949    -20.60101118
  H     11.08708638      5.09808876    -15.82939356
          69
 Energy    -249.02643915525837     
  O     -6.43194518     -2.01373291      6.83729308
  H     -5.75278239     -1.32938433      6.85261715
  H     -7.17953459      0.52195933      2.80303109
  O     -6.77355658     -3.44233273      4.50620693
  H     -7.28434543     -1.57342491      6.93149167
  H     -3.96493619     -0.12679065      5.80797921
  O     -5.71706253      0.66377401      0.17480417
  H     -6.55892929     -3.06018539      5.37265786
  H     -3.58939148     -0.07040409      7.30780482
  O     -6.29877921      1.66254341      5.74194996
  H     -7.66775717     -3.14024977      4.32651054
  H     -1.95771866      4.20561023      0.59382087
  O     -6.77189469      5.25079817      0.34722879
  H     -5.79643933     -0.28992125      0.06540642
  H     -3.32762011      4.51073190      1.24963298
  O     -9.17389857     -0.98536061      6.82315544
  H     -6.57746026      0.95800097      0.51449553
  H    -10.74367978      3.69854252      4.08889175
  O     -3.46240924     -0.25540407      4.14951193
  H     -6.51217989      1.08397147      4.99097279
  H     -9.34530628      3.43035470      3.49503253
  O     -5.21462522      3.30397032     -0.74222541
  H     -5.60754458      1.20436434      6.23549284
  H    -10.07166368     -0.16785254      3.19484254
  O     -9.04237369     -1.56947808      4.09817253
  H     -7.05324122      5.85429088     -0.33516378
  H    -10.39687338      1.33883217      3.09613802
  O     -6.34615430     -2.11473435      0.26348709
  H     -6.26945997      4.54294506     -0.09521641
  H     -5.64482605     -2.64258862      3.39743722
  O     -3.98565709      1.69450211      2.15460391
  H     -9.72124501     -1.15092676      7.58607516
  H     -5.43812248     -2.15862649      1.92721837
  O     -6.87457199      0.05086598      3.58793314
  H     -9.16981644     -0.02167220      6.68204876
  H     -8.97390736     -2.05968122      2.26939374
  O     -4.32914070     -0.03656684      6.70773521
  H     -3.51368574      0.47093406      3.51587998
  H     -9.57798785     -1.40312778      1.03758828
  O     -2.82729657      3.84555930      0.74358775
  H     -3.88621808     -1.00418780      3.70708144
  H     -9.41280215      2.14291846      5.55063489
  O    -10.08281298      3.01897957      3.97445834
  H     -4.32916170      3.47198973     -0.39565264
  H     -8.06041499      1.78161755      6.20492645
  O    -10.33749799      0.52524459      2.57785309
  H     -5.37775479      2.36278381     -0.60162664
  H     -5.26965849      5.59162446      1.55875721
  O     -5.14832609     -2.02551178      2.83599985
  H     -8.25127022     -1.02020506      3.96836491
  H     -4.79926834      4.91070260      2.85608812
  O     -8.89857793     -2.02326476      1.30585340
  H     -9.24132553     -1.51160886      5.04112186
  H     -5.71562038      2.94486384      4.58416796
  O     -9.01800052      1.66063800      6.28468441
  H     -6.29383242     -2.83201827     -0.36351422
  H     -4.99137532      2.78766102      3.22415978
  O     -4.50251341      5.48134523      2.13340755
  H     -7.25923212     -2.10449794      0.59799320
  H     -7.97623668      2.34861246      1.72158751
  O     -5.49750922      3.41015673      3.76629360
  H     -4.53849963      1.26396187      1.48832878
  H     -8.86785146      1.07721926      1.68293244
  O     -8.00966064      1.43345772      1.41445847
  H     -3.44516166      2.34458619      1.68836106
  H     -7.08543164      3.80236082      3.04638593
  O     -7.90217095      3.97050839      2.55148429
  H     -6.19621109     -0.58471208      3.32250749
  H     -7.65332959      4.50540448      1.78662339
          69
 Energy    -249.02635408267633     
  O     13.84936655      6.66471790     -9.24588318
  H     13.14395747      6.12208273     -9.61789301
  H     13.62911495      7.98488833    -14.45556728
  O     15.28950817      7.20427176    -16.77923529
  H     14.68357435      6.25281210     -9.50639833
  H     17.19312398      9.37734145    -13.35957855
  O     18.30262552      8.52848136    -14.47308660
  H     15.02903589      6.84658106    -17.62460078
  H     16.14779683     10.52413029    -13.31718512
  O     11.12306444      6.21067134    -14.46619748
  H     14.47149202      7.45846358    -16.31886940
  H     13.71468863      8.31324083    -12.33382263
  O     19.00079673      5.00474732    -10.53828729
  H     17.89625055      7.65418735    -14.56860668
  H     15.15468986      8.58704710    -12.85521744
  O     12.71467756      4.35388085    -12.89646135
  H     19.15121828      8.40338498    -14.03161528
  H     12.14995982      4.75482565    -11.28958369
  O     16.76692652      8.73823565    -10.27417536
  H     10.91481116      6.60491751    -13.59864864
  H     11.35663775      4.37286038    -10.01810634
  O     12.42464464      9.35505017    -11.54419268
  H     10.29355663      5.93145315    -14.84448154
  H     21.46820216      8.18365453    -12.92161763
  O     19.32601781      5.32307307    -13.22232241
  H     19.50317774      4.25598787    -10.22919252
  H     20.20019164      7.96281309    -12.06036984
  O     15.42232360     11.56460927    -14.70087762
  H     19.09791261      5.02917696    -11.50712505
  H     15.71551649      5.38971474    -11.88230709
  O     12.83601328     10.59870430    -13.98850560
  H     12.25558964      4.89910046    -13.54584525
  H     14.92325083      6.29751698    -12.82555492
  O     13.12685585      7.97057984    -15.28578760
  H     13.64959265      4.59980903    -12.93149642
  H     17.33077347      9.41015067    -15.80467903
  O     16.51736016      9.79507792    -12.80524563
  H     15.95844271      9.01489618     -9.82665055
  H     16.12212482      8.93526115    -16.61910492
  O     14.42858174      7.95071437    -12.87356295
  H     16.74554608      9.17564728    -11.13798016
  H     16.48707414      6.33744614    -15.54508927
  O     11.82069896      5.09256681    -10.43767732
  H     12.55519707      9.96733258    -12.28497325
  H     16.44800640      5.75272924    -14.11054018
  O     20.55664599      7.90908309    -12.96563545
  H     12.99058508      9.59935706    -10.80318797
  H     18.59639545      8.23666780    -10.29385074
  O     15.30761747      5.40758323    -12.75715488
  H     18.60630264      5.43635972    -13.85464906
  H     19.35349302      6.89047173    -10.34387016
  O     16.58720504      9.73031765    -16.33433503
  H     19.84415180      6.13733614    -13.25430255
  H     11.20518907      8.01657738    -11.78059185
  O     17.04490772      6.06864017    -14.80548478
  H     15.79326962     10.95343100    -15.36267137
  H     10.99299676      6.54447708    -11.35704095
  O     19.45458413      7.83959051    -10.48979272
  H     15.64729626     12.44666088    -14.98485922
  H     16.53035078      6.88428334    -10.29898240
  O     10.71210201      7.21229601    -11.99435492
  H     12.75432102      9.84041718    -14.57859018
  H     17.25323548      5.51499277    -10.22744678
  O     16.38179248      5.92908962    -10.24099466
  H     13.66818198     11.02209658    -14.23336179
  H     13.95875702      9.70363509     -8.41856731
  O     14.16128874      9.34062042     -9.27705216
  H     12.38160229      7.37546282    -15.13029926
  H     13.98395249      8.38197543     -9.22376647
          69
 Energy    -249.02567822476135     
  O     13.49647162     11.55657555    -16.88300411
  H     13.93477511     11.74207447    -16.04627722
  H     16.16274270      5.19416561    -17.48777760
  O     14.79071206      7.29687331    -12.88516406
  H     12.57413491     11.38612691    -16.65158615
  H     17.41201832      8.76611602    -11.17146173
  O     15.12892852     11.33789438    -11.35767813
  H     14.96502889      7.95568570    -13.57570356
  H     18.24433678      9.99558571    -11.56926980
  O     17.27782288     12.02609921    -14.22114602
  H     15.12202064      7.66791620    -12.05583774
  H     17.75215886      9.29755924    -16.42497200
  O     13.84837857      7.79742774    -17.01637755
  H     16.05534551     11.59551710    -11.26286677
  H     18.32502158      8.94794418    -15.00588758
  O     12.49973076     11.66494206    -10.55418462
  H     14.93345069     11.40155072    -12.30200153
  H     14.71733301      8.68805373    -15.65270454
  O     12.15057796      8.23870937    -12.92936481
  H     17.55791723     11.25106718    -14.72999229
  H     16.11781326      9.20629249    -15.16139634
  O     14.43281500     11.54939681    -14.11383985
  H     16.31885846     12.07243837    -14.30351143
  H     10.05388570     11.35076651    -15.90452818
  O     16.72059165      6.02054581    -14.50792067
  H     14.50429695      7.09175105    -17.09579818
  H     11.15355541     11.05286154    -14.86176167
  O     11.80663186      8.86832263    -10.19321759
  H     14.04146443      8.44562653    -17.70691708
  H     13.59322217      7.08745810     -8.19583328
  O     18.94313150      7.66939183    -13.81306147
  H     12.38167610     12.33787542     -9.88840129
  H     13.07737741      8.15078640     -9.18183013
  O     16.03699997      6.06508207    -17.12118771
  H     13.45560741     11.59084006    -10.71111626
  H     12.22579932      7.92975259    -16.12140471
  O     18.23670408      9.03245777    -11.60120015
  H     11.81916025      8.06598419    -13.82333849
  H     11.19596057      9.03343447    -15.80689286
  O     17.85128577      9.61751165    -15.51536021
  H     13.01531304      7.81252544    -12.86507390
  H     17.74001181     11.98467324    -12.55183160
  O     15.18671525      9.10676386    -14.92067140
  H     13.50826100     11.48468202    -13.83975649
  H     18.48535690     12.56220112    -11.32254909
  O     10.92941820     10.98439526    -15.80487727
  H     14.69532792     10.65373397    -14.39117027
  H     15.39918860      9.54060945    -10.81605282
  O     13.87085618      7.83700923     -8.71533017
  H     16.03330867      6.27026422    -13.87659743
  H     15.12200575      8.32735369     -9.87753727
  O     11.45187708      8.13311698    -15.57843595
  H     17.51187391      6.50892862    -14.24968835
  H     16.83336838      7.69634297    -17.75297661
  O     17.87210398     11.88375034    -11.59103626
  H     11.80290610      8.55432831    -11.10760820
  H     16.36927515      9.07839333    -18.26356410
  O     15.66764243      8.63542613    -10.61559611
  H     11.94680445      9.82077397    -10.23889395
  H     11.89747000     11.33862422    -12.31553311
  O     17.13813402      8.59362524    -17.93906543
  H     19.83387980      7.34727382    -13.70406945
  H     11.97879466     10.01179775    -13.11348162
  O     11.86649686     10.97197535    -13.20655597
  H     18.71162663      8.13772509    -12.99013143
  H     14.48403413     10.20416020    -19.57010850
  O     14.66891266      9.89093649    -18.68849969
  H     16.29174162      6.01246066    -16.18215154
  H     14.28822925     10.54428624    -18.07548985
          69
 Energy    -249.02506316338096     
  O      9.73796401      9.18282078    -12.33162758
  H      9.73709597      8.21280781    -12.23757280
  H     17.13554025     11.05554196    -13.14387402
  O     14.38399960      7.63314584    -15.56755720
  H      8.96511618      9.50524108    -11.87658458
  H     15.43500636      7.96022492    -14.12179426
  O     13.02215347      9.88304970    -14.78858065
  H     13.88223877      8.45218977    -15.44448093
  H     15.68060818      8.51959036    -12.66814431
  O     14.69870470      5.13895477    -10.39146299
  H     15.01669889      7.75382584    -16.28622536
  H     10.91854245      6.38679831    -11.96394505
  O     13.16077142      5.45528604    -14.42183799
  H     12.91788186      9.71976820    -13.83967321
  H     10.01261160      6.17271481    -13.18282845
  O     15.18522187      9.51147902    -11.20796377
  H     13.57517214     10.66687231    -14.89281067
  H     18.46230748      6.23373521    -11.99634361
  O     16.80201438     10.60204323    -16.35361653
  H     15.29922227      5.88317705    -10.20723513
  H     19.38581944      5.91120117    -10.80040176
  O     15.33227301      4.16119639    -13.03991898
  H     14.61027935      4.64793124     -9.57904978
  H      9.87065622      5.66413860    -15.74310453
  O     18.23546130      9.66847934    -14.13535336
  H     13.61862398      6.16254828    -14.90086355
  H     10.46643134      6.96161571    -15.14891089
  O     16.47539048      7.95851202    -17.40376041
  H     12.23780925      5.49012091    -14.70274681
  H     19.51964973      8.28312579    -11.63254670
  O     18.44866880      7.19738274    -15.69009579
  H     15.59101737     10.29254680    -11.61351089
  H     19.97165232      9.66638296    -11.13611931
  O     16.37731814     11.48125466    -12.72935047
  H     14.23485409      9.55529494    -11.37703695
  H     16.86500566      5.06706159    -13.34691008
  O     16.09364683      8.09408729    -13.42880170
  H     17.43703772     10.38391075    -15.65718574
  H     17.00414968      6.59969086    -13.38540478
  O     10.00387354      6.47598814    -12.26650774
  H     16.66208191      9.78386446    -16.84392480
  H     17.21714016      7.14929720    -10.34616247
  O     18.88194422      6.61332440    -11.20488849
  H     14.58179055      4.44603044    -13.57645928
  H     15.98406005      8.09710657    -10.29580841
  O     10.45544719      5.99123821    -15.06466407
  H     15.11106478      4.39010568    -12.12839473
  H     15.53051119     11.52610394    -15.62478165
  O     19.77533454      9.16996176    -11.92760326
  H     17.46224007      9.12540276    -13.90785196
  H     14.73942021     12.85096525    -15.49496949
  O     17.51924821      5.77671334    -13.41227527
  H     18.87290206      9.56871421    -13.41397108
  H     12.94362501      6.13747828    -12.76654297
  O     16.33292452      7.25289847     -9.97798038
  H     16.62564157      7.63237922    -18.28701729
  H     13.38057135      6.04699966    -11.28044998
  O     14.84271939     11.98513899    -15.10873187
  H     17.20000795      7.61597773    -16.85018564
  H     11.60930127      9.39505066    -12.07074982
  O     12.78454487      6.50439017    -11.88479125
  H     18.23764841      6.55192031    -15.00223381
  H     12.67314152      8.27664266    -12.00967592
  O     12.55996189      9.23602931    -12.10457401
  H     18.65184646      8.01792440    -15.22655889
  H     10.10588982      8.98341812    -14.21834075
  O     10.46802471      8.71908950    -15.07335532
  H     15.80568710     11.75131062    -13.45898935
  H     11.31075692      9.18479133    -15.14920596
          69
 Ord_Energy   -249.025040    
 O    3.01371837       2.18679738       1.96886861    
 H    3.72941995       2.22314739       2.59915161    
 H    2.55303574       3.04285741       2.01754904    
 O  -0.295873880       5.10444260       3.92697024    
 H  -0.616249144       4.23448515       4.20078850    
 H   -1.01841676       5.50732756       3.43297458    
 O   0.135493875       4.09220076      -3.54441762    
 H  -0.166887611       3.17479753      -3.48204255    
 H   0.625728130       4.15496063      -4.37578964    
 O   -2.51222157       5.90010643       2.17714214    
 H   -3.30071092       6.24313116       2.59213305    
 H   -2.64631271       4.94118500       2.08553386    
 O    3.14007497       1.99596345     -0.849999785    
 H    3.21516252       2.01876760      0.111678928    
 H    2.90823221       2.88957977      -1.14592636    
 O    1.54875624      0.923656702      -5.15949345    
 H    1.74266863      0.203693002      -5.75409460    
 H    2.31647348       1.00955892      -4.56603193    
 O   -2.68244481       3.16683459       2.07288837    
 H   -2.29030156       2.82350492       2.88808060    
 H   -3.06701279       2.43149996       1.57733333    
 O    1.49061000       4.44037819       1.93888354    
 H   0.837699890       4.07017756       1.32367504    
 H   0.995076895       4.73298025       2.71620393    
 O   -1.18781459       7.05612612      -9.35238972E-03
 H   -1.62622714       6.68419743      0.771932006    
 H   -1.42803597       7.97959042      -4.52019311E-02
 O   -3.49143720       1.10244191      0.404507995    
 H   -3.29635668       1.49722576     -0.464914262    
 H   -4.28194427      0.580521882      0.295286477    
 O    1.80089176       3.76348042      -5.70405817    
 H    2.66235971       3.95000839      -5.30991983    
 H    1.70519650       2.80257344      -5.68229246    
 O   -1.73242772       4.85393333      -1.70214593    
 H   -1.59376359       5.70852613      -1.27878416    
 H   -1.09217548       4.76842880      -2.42585206    
 O    4.13123226       4.16012526      -4.06001282    
 H    3.59028053       4.36381292      -3.27787185    
 H    4.86086082       4.77402258      -4.05606556    
 O    3.68496060       1.38647604      -3.54360437    
 H    3.59100986       1.41985667      -2.58259892    
 H    3.99945450       2.26319432      -3.79839110    
 O  -0.488755673       3.39298773      0.325204819    
 H   -1.19852221       3.22354794      0.956771076    
 H  -0.876398623       3.90009522     -0.400221378    
 O  -0.966831863     -0.183959484       1.05579913    
 H   -1.85093415      0.145168096      0.861042857    
 H  -0.422895908       7.24349096E-02  0.297392666    
 O   -2.89307356       2.27275133      -1.96055627    
 H   -2.67794561       3.21265650      -1.90638697    
 H   -2.24293995       1.88662231      -2.56174397    
 O    2.39315200       4.46780443      -1.94539142    
 H    1.59038520       4.31330585      -2.46249938    
 H    2.20137787       5.18915701      -1.33001256    
 O   -1.27186370       2.45490551       4.36456442    
 H  -0.575146079       1.92955315       3.92721891    
 H   -1.47757041       2.01152706       5.18253851    
 O   0.539372087       1.02001667       3.03316140    
 H    1.37670612       1.27980685       2.63879752    
 H    4.79847789E-02  0.516113639       2.36615443    
 O  -0.601233721       1.40665555      -3.38913774    
 H  -0.202254966       1.19326770      -2.53051853    
 H    3.30795385E-02   1.13579261      -4.06430340    
 O    1.63997138       6.34845400      -9.83296707E-02
 H   0.727804124       6.65803337     -0.100467749    
 H    1.72549319       5.80783081      0.699589193    
 O   0.512448668       1.11728132     -0.905680537    
 H    1.46651268       1.26127040     -0.923628032    
 H   0.135988072       1.88860452     -0.454999447    
          69
 Energy    -249.02456801300247     
  O     12.33817685     13.15865097    -12.84100461
  H     12.05699721     12.29034511    -12.49773663
  H     20.61031053      8.44245352    -14.17763516
  O     20.31788922      8.30930646    -10.98659612
  H     11.54535190     13.66278405    -13.00164016
  H     15.61914218      9.57035668    -12.87184870
  O     17.63369366     11.33172323    -11.22803583
  H     20.12595795      7.46305621    -11.41100822
  H     15.01585919     10.98729685    -13.03616445
  O     12.53042888      8.21809225    -13.01381654
  H     19.53721897      8.52237228    -10.46290231
  H     13.93746747     10.34797621    -14.99992729
  O     16.96187764      6.94631736    -11.86660870
  H     16.81548107     11.01084577    -11.64247248
  H     13.27212321      9.01460074    -14.56929411
  O     14.27970751      7.34896587    -11.07711844
  H     17.50834313     12.27991582    -11.10197208
  H     15.32448255      8.29657898     -7.78030112
  O     19.53068232      6.04918562    -12.55893615
  H     11.88390509      7.52115378    -13.10139723
  H     16.14443568      8.74490202     -9.00915791
  O     14.36005397     12.00612026    -14.39888090
  H     13.16024975      7.91891929    -12.33498340
  H     22.16200647     10.08167251    -12.88233648
  O     18.05766859      9.39290239    -15.58889629
  H     16.65709887      7.33159050    -12.70341538
  H     20.94574583      9.36752849    -12.24790408
  O     17.68088400      8.86318452     -9.95079518
  H     17.79510201      6.50107521    -12.06128274
  H     17.58350292     12.63973825    -14.13638803
  O     15.85426756     10.19039652    -17.09512503
  H     15.15195220      7.02585182    -11.33901098
  H     16.83777891     13.60357179    -13.20126509
  O     20.09044481      7.74432155    -14.59484341
  H     14.41825154      7.76239651    -10.21823600
  H     17.11305226     14.86340732    -10.92890122
  O     15.37889137     10.36929323    -12.38826271
  H     19.71270257      6.59100655    -13.34852479
  H     15.92803887     13.88186788    -11.09571811
  O     13.82211896      9.41811855    -15.25293159
  H     19.93698427      5.19997272    -12.70809316
  H     13.61178117     13.50073611    -11.44595009
  O     15.24286877      8.66884647     -8.65452125
  H     15.19127686     12.50603915    -14.38429269
  H     14.17906762     12.58936367    -10.34165592
  O     21.24828704      9.85576685    -13.03452227
  H     13.67606281     12.52542192    -13.95761743
  H     19.79458136     10.91218986    -13.58111564
  O     16.80152411     13.20211094    -14.07896055
  H     18.31047357     10.12734787    -15.01093811
  H     18.49999864     11.27444307    -12.84316209
  O     16.86191052     14.03539588    -11.32847424
  H     17.39778803      9.71388856    -16.21859950
  H     11.95991880      9.87935779    -12.25988633
  O     14.28931631     13.45338771    -10.76150353
  H     17.72673955      9.74962986    -10.33865966
  H     12.40726731     10.70386044    -11.04247569
  O     18.91262132     11.28052654    -13.71844295
  H     17.43220394      8.23854546    -10.64992800
  H     14.44085488     10.55444496    -10.87123299
  O     11.81130068     10.71619990    -11.80474519
  H     15.08785623      9.83830676    -16.62051513
  H     14.32498209     10.13623971     -9.39247461
  O     13.97731024     10.75647722    -10.04199564
  H     15.62518950     11.09290884    -17.31188980
  H     16.81845785      8.57195559    -14.59439582
  O     16.07216227      8.23721808    -14.07700449
  H     19.39937380      8.20175476    -15.09227624
  H     15.27109467      8.48106555    -14.55652528
          69
 Energy    -249.02452159342971     
  O      4.35861245     -1.61751383     -0.99237933
  H      3.79243134     -1.33976215     -1.72289287
  H      2.19004109     -1.97986222      3.88653048
  O     -1.93607395     -2.59693480     -1.81239975
  H      4.05773249     -1.13676047     -0.21289618
  H      4.73376749     -7.48441135     -0.52117125
  O      2.16410625     -5.14437342     -2.24161865
  H     -2.57062230     -2.48686695     -2.51533169
  H      4.96710627     -6.03850677     -1.03345762
  O     -1.86224953     -4.53920324      2.81237898
  H     -1.06720672     -2.71890439     -2.23805351
  H      3.16651626     -4.06198227      2.72631542
  O      3.24718690     -0.13472842      1.31559764
  H      2.53072141     -5.85556348     -2.78176567
  H      2.75727092     -5.23094745      1.79534267
  O      1.89172263     -8.83017941     -1.42564118
  H      2.89124194     -4.80509599     -1.70042270
  H      1.00481062     -6.04209530     -1.18913496
  O      1.86947019     -6.79348229      1.72436752
  H     -2.73956917     -4.85929165      3.00680559
  H     -0.34053024     -5.98999040     -0.42579630
  O      0.50805052     -2.98205004     -2.92463821
  H     -1.75408701     -4.58461745      1.84733959
  H      0.98731251     -6.04315878      3.21124012
  O      1.22172110     -0.40513764     -0.56750101
  H      3.73737810      0.62190452      1.62765875
  H     -0.24242632     -5.18019160      3.58366251
  O      2.37687229     -0.83083677     -2.94387525
  H      2.81187536     -0.51879375      2.09692761
  H     -0.40964498     -4.05277402      0.26344411
  O      1.02760198     -3.06125766      0.56762477
  H      2.33982590     -8.46704633     -2.20033591
  H     -1.70641228     -3.94193223     -0.55068289
  O      1.90535595     -1.17726214      3.43208003
  H      1.21148458     -8.18527715     -1.18843209
  H     -0.00981190     -2.32918168      1.88034486
  O      5.08070816     -6.97259727     -1.26105604
  H      2.52930433     -7.46694151      1.51753517
  H     -1.15941314     -2.72165219      2.82157652
  O      3.17886166     -4.35825821      1.80953777
  H      1.30153553     -6.72363395      0.94346631
  H      3.99261102     -9.50620833      0.91355598
  O      0.40992401     -6.56137610     -0.62647249
  H      1.14019533     -2.26945971     -3.07422629
  H      3.03781846     -8.81964638     -0.09265490
  O      0.63295171     -5.44838674      3.88597683
  H      1.03981626     -3.76670415     -2.73632999
  H      4.10826027     -7.27703409     -2.67450487
  O     -1.27244305     -4.47846802      0.12374448
  H      0.30277255     -0.30309441     -0.28148853
  H      3.89202397     -7.60230421     -4.17390696
  O     -0.64113379     -1.96678192      2.52261513
  H      1.81899179     -0.15439888      0.14839483
  H      3.02145802     -3.94745137      5.31833302
  O      3.66507051     -8.65497992      0.63501451
  H      2.40238848     -0.05087563     -3.49211769
  H      1.86454130     -4.30568862      4.35499617
  O      3.43057865     -7.39806683     -3.36559432
  H      1.90569950     -0.58541304     -2.12516874
  H     -1.68405209     -1.22796363     -0.45348025
  O      2.61443627     -3.69867134      4.49300424
  H      1.23004570     -2.28639335      0.03165414
  H     -1.34145395     -0.96665312      1.03768322
  O     -1.40309223     -0.54623763      0.16999403
  H      1.84272834     -3.40303777      0.95480715
  H      4.47464070     -3.39845197     -0.86779132
  O      4.33727373     -4.33644848     -0.67312201
  H      0.95876019     -1.29030998      3.27673276
  H      4.05200658     -4.37283096      0.25061768
          69
 Energy    -249.02440141462807     
  O     11.65570536     10.18275961    -15.32116589
  H     12.13527402     11.01803468    -15.26651647
  H     19.70767876      8.33005735    -14.85181546
  O     16.32195500      6.79816777    -12.81945837
  H     11.28516933     10.01000797    -14.44743966
  H     15.22145670     10.58938610    -17.22374481
  O     17.14349045     11.19834519    -12.16864694
  H     15.51602050      6.84419883    -12.28637704
  H     16.13169211     11.33466320    -16.22170109
  O     17.40693710     10.71356977    -14.93366121
  H     16.98197028      7.36915178    -12.39927280
  H     14.67316485      8.61175804    -14.91178595
  O     14.20393329     10.16086223     -8.76746681
  H     16.21433198     11.28999159    -12.42209749
  H     15.71493220      8.16990599    -13.84042272
  O     14.05035921      7.24332590    -11.35687750
  H     17.14892047     11.22802709    -11.20001305
  H      9.81559448      8.98018261    -12.62089946
  O     14.48615210     11.14713646    -13.04064918
  H     17.51023413     11.07795673    -14.04623105
  H     11.16424946      8.34793675    -13.04004715
  O     17.36250826      7.69970134    -17.12912308
  H     16.75469652      9.99960484    -14.84258949
  H     18.20520036      8.32618350    -10.16567538
  O     15.31387798      7.51439150     -8.93791998
  H     13.68835714     10.09086545     -9.58812309
  H     18.88555731      7.95908017     -8.82769094
  O     19.41428409      9.50492064    -16.31683850
  H     13.62712433     10.54998133     -8.11474316
  H     12.84131025      6.86394517    -12.82238688
  O     17.65153759      5.82183131    -14.99811719
  H     13.67633338      8.13375174    -11.36745099
  H     12.60514040      7.17153678    -14.33325798
  O     19.61680248      7.72866471    -14.10264676
  H     14.46108857      7.15354789    -10.48335798
  H     18.81690345      8.36319999    -12.64087131
  O     15.34493463     11.43360658    -16.77234537
  H     14.75749527     10.33736345    -13.50217498
  H     17.87824228      9.48894200    -12.06844471
  O     15.40101579      8.92101168    -14.35655137
  H     14.08983259     11.72308194    -13.70512998
  H     17.36184852     10.07067049     -9.21355733
  O     10.73405985      9.18291077    -12.77740975
  H     17.40635555      7.01313342    -16.45241787
  H     15.98362379     10.74501508     -9.18625127
  O     18.06563267      8.26710792     -9.20504618
  H     18.12377344      8.27275221    -16.97780852
  H     14.98145709      8.69659719    -18.91159036
  O     12.16052510      6.99304504    -13.49447174
  H     14.92820038      8.37521872     -8.73066992
  H     15.88078641      8.40117330    -17.68875101
  O     18.22111593      8.59872216    -11.91407594
  H     16.26721228      7.66136998     -8.96913799
  H     12.09489808      9.70374649    -11.62868222
  O     16.90316822     10.88832166     -9.44209657
  H     18.74538234     10.02591358    -15.83841064
  H     13.47331958     10.39632546    -11.80124526
  O     15.05456089      8.83364882    -17.97053735
  H     19.99226600     10.12652872    -16.75090623
  H     14.05223379     12.13969339    -15.84858010
  O     12.93846087      9.86796889    -11.18964037
  H     17.11385310      6.06314142    -14.22492169
  H     13.18279736     13.37030154    -15.49380714
  O     13.36793261     12.47075029    -15.23872126
  H     17.66659597      4.86860011    -15.03345764
  H     13.78258977      8.22982107    -16.71188779
  O     13.29486475      8.07101551    -15.89478165
  H     19.09255294      6.98700306    -14.42901998
  H     12.66895561      8.80662725    -15.78739797
          69
 Ord_Energy   -249.024231    
 O   -3.18132210      0.197286814      -3.36270666    
 H   -3.41202164       1.12113559      -3.17883635    
 H   -3.73091102      -7.46250600E-02  -4.09573507    
 O   0.965556860       2.18351626      -2.74262977    
 H   0.251087248       2.77737093      -2.47511697    
 H   0.514578581       1.36770749      -2.99860716    
 O    3.62365532      -1.71402502      -1.59549844    
 H    4.45350790      -2.06447744      -1.90791368    
 H    3.25141478      -1.21024251      -2.33847952    
 O  -0.904040098       5.12627363      0.440870166    
 H   -1.03850842       4.66660261     -0.399318308    
 H   -1.74576819       5.07091522      0.909370840    
 O    2.35026693     -0.483370215      0.494571209    
 H    2.87573409     -0.983980894     -0.144190073    
 H    2.41066575      0.456498384      0.251928061    
 O    1.07332635     -0.479372650       2.88571858    
 H    1.58049381     -0.536369145       2.05722499    
 H    1.65041840     -0.784839690       3.58130717    
 O   -4.22374535      0.800821781      0.773003876    
 H   -4.19532204      0.509110093       1.69134951    
 H   -4.23841619       1.85739193E-02  0.200913727    
 O   -1.63817453      -1.45185888       2.71570277    
 H  -0.717138469      -1.17126548       2.76564932    
 H   -1.72673762      -1.97186959       1.90796113    
 O   -1.53619897       1.44785297      0.257142663    
 H   -1.09446180       1.68945348       1.08167565    
 H   -2.46164036       1.25978315      0.460565895    
 O    2.44237828     -0.214758322      -3.59337115    
 H    1.51613975     -0.464441299      -3.71549296    
 H    2.40618777      0.729934812      -3.41135836    
 O   -1.30770898       3.39163423      -1.70414817    
 H   -2.12631178       3.33348370      -2.20755887    
 H   -1.36821270       2.70946789      -1.01576722    
 O  -0.150256872       2.05181670       2.61841440    
 H   0.467523187       2.73511147       2.32607412    
 H   0.342806906       1.23840880       2.77882576    
 O    1.35772479       4.11895275       1.50053966    
 H   0.566019297       4.54504585       1.12416780    
 H    1.92020595       4.81785011       1.82255697    
 O   -1.79856372      -2.77061272      0.174481034    
 H   -1.46287799      -3.63093376      -6.41143471E-02
 H   -1.15680134      -2.11598396     -0.154652610    
 O   -4.65824175       3.27152610     -0.338182658    
 H   -4.26097775       3.86582518      0.308601439    
 H   -4.64950991       2.39534163       7.57156909E-02
 O   -3.39963150       4.75132179       1.75596833    
 H   -3.84670687       5.42569447       2.26123238    
 H   -3.19253230       4.03152895       2.37842488    
 O   -2.71574235       2.73578238       3.43987608    
 H   -1.78019595       2.54292488       3.28535461    
 H   -3.14442348       1.87749112       3.53301525    
 O  -0.174823359     -0.769318044     -0.623222828    
 H  -0.652957499       2.05208100E-02 -0.328220338    
 H   0.727424741     -0.711052656     -0.285347193    
 O   -3.94908738      -1.27122402     -0.972642601    
 H   -3.61700773     -0.868633270      -1.78360212    
 H   -3.26474237      -1.86889458     -0.647084057    
 O   -3.85282016       2.87203526      -2.86057711    
 H   -4.30797863       3.47979999      -3.43732595    
 H   -4.19373560       3.03197193      -1.96024489    
 O  -0.365350097     -0.288775653      -3.32598329    
 H  -0.273017764     -0.546653271      -2.39575267    
 H   -1.30495417     -0.123506971      -3.45859289    
 O    2.30633426       2.08978677     -0.279853731    
 H    1.87612355       2.17727447      -1.14144123    
 H    2.02579474       2.83849812      0.257051200    
 O   -3.75581503       6.98544905E-02   3.43999767    
 H   -2.98544478     -0.487415999       3.22759485    
 H   -4.26471424     -0.402053744       4.09342098    
          69
 Energy    -249.02407512236226     
  O     12.07002299     11.32804987    -14.33455613
  H     12.73656309     12.01797574    -14.24714669
  H     15.37649274      6.30690808    -15.48344581
  O     15.93546146      6.81135719    -13.78816880
  H     12.36783429     10.76463761    -15.06356334
  H     18.72211417      8.70641200    -13.14072369
  O     17.23538745     10.58304993    -10.61395815
  H     16.84542588      7.06259824    -13.58332753
  H     18.75301648      7.81886376    -14.38966905
  O     17.70285758     10.71428529    -15.16534679
  H     15.41088415      6.85320733    -12.97632576
  H     16.55339043     11.94670700    -15.99413948
  O     12.29390538      6.97556723    -16.07025329
  H     17.40237709      9.62446132    -10.61747196
  H     15.43989054     11.76652500    -17.03559448
  O     15.23945696      9.36156413     -8.81676234
  H     16.48977023     10.77610524    -11.20178383
  H     14.59291860      9.49220758    -15.08308629
  O     14.26240389      7.10931653    -11.58765785
  H     18.16002540     10.83423571    -14.32342936
  H     15.50960047      8.49057889    -14.31399346
  O     15.15923489     11.15111547    -12.39785719
  H     16.87210365     10.24899657    -14.97142805
  H     10.14129661      9.94174241    -12.27512111
  O     16.49520535      8.20190963    -17.72863332
  H     12.19361442      7.00665375    -15.10116739
  H     11.38270638     10.32622649    -13.11736757
  O     15.72806460      6.70612187     -9.23029074
  H     11.56510722      6.46104682    -16.40601201
  H     18.13113350      7.54872502    -11.50404696
  O     18.93492212      8.48020625    -16.19764411
  H     14.47420897      9.52423479     -9.38679561
  H     17.24234792      7.31823123    -10.24471764
  O     15.04948522      6.28434403    -16.39329509
  H     15.94361829      9.91875502     -9.16607547
  H     11.64926503      8.01805601    -13.06987057
  O     18.54463194      7.80734345    -13.44688189
  H     14.69346231      6.77925984    -10.79020517
  H     12.77312714      7.00070889    -12.77555683
  O     15.74538968     12.35394306    -16.33405417
  H     13.97725250      8.00999492    -11.37652935
  H     18.45846708     10.69027923    -11.92187653
  O     15.35264203      9.42600657    -14.49207618
  H     14.89560487     11.96331106    -12.84512029
  H     19.91009429     10.85014025    -12.41484360
  O     11.05035345      9.70799287    -12.44073686
  H     15.22245077     10.48130081    -13.09677103
  H     14.88270983     10.44773421    -19.18074602
  O     17.88198095      7.91564154    -10.64997803
  H     15.98277198      7.48108801    -17.33035533
  H     15.54764682      9.58417592    -18.08210413
  O     12.06029473      7.20634651    -13.39224479
  H     17.35332705      8.18951756    -17.29485697
  H     12.50238713      9.71607291    -11.29242695
  O     19.03797653     10.58143391    -12.69348314
  H     15.71707686      6.18933370     -8.42961499
  H     13.94270238     10.27806335    -11.40403640
  O     14.95726391     10.34537680    -18.23604569
  H     15.55671985      7.63061775     -8.97251830
  H     14.78093290     12.90129336    -14.97074058
  O     13.37912257      9.67972790    -10.89168015
  H     19.73884498      8.66441265    -16.67798455
  H     14.23438626     14.10844689    -14.17680530
  O     14.28195141     13.15611731    -14.17441726
  H     18.56365270      9.33870142    -15.92992445
  H     12.83602964      8.72030941    -16.30504773
  O     13.15927570      9.62758363    -16.22906890
  H     14.09669654      6.41835851    -16.33310971
  H     13.66607468      9.84590246    -17.02166160
          69
 Energy    -249.02373750980200     
  O     11.76086394     10.29976047    -11.17999628
  H     11.02342753     10.70548087    -10.73333952
  H     16.94163230      5.56865847    -15.72139339
  O     13.56988012      4.89208194    -14.01201796
  H     11.77849013      9.36358507    -10.90733366
  H     14.43674268      5.65967669    -10.60840201
  O     15.08255311     11.68399668    -14.37734487
  H     14.34098727      4.95035151    -14.58780471
  H     14.71504310      6.40198033    -11.92338511
  O     13.98363571      6.59422783     -9.03174419
  H     13.91630428      4.89945758    -13.10809474
  H     12.57234238      7.27673706    -10.08566124
  O     16.52883411     10.99794717    -10.02515457
  H     14.49073660     11.21559092    -14.97734481
  H     11.83768718      7.17029929    -11.45395135
  O     11.73060180      9.30404489    -13.90397580
  H     14.82638612     11.41467818    -13.48424172
  H     18.88539582      5.20643014    -13.15982096
  O     17.75299037     11.64378848    -14.65233238
  H     14.71277534      7.24033731     -9.02977762
  H     20.36866558      4.78724672    -13.22488969
  O     14.42212017     10.71571613    -11.84413690
  H     13.89808001      6.27542667     -8.13742328
  H     12.72450354      9.79905668    -15.21662578
  O     17.54694371      7.34993389    -11.30147331
  H     17.21197739     10.89675960    -10.71270077
  H     12.83663167     10.20270120    -16.70740318
  O     18.65735817      6.19893410    -16.03794271
  H     16.81418788     11.71469612     -9.46448033
  H     12.25655297      5.98582555    -13.61710365
  O     17.10816175      4.98681392    -12.77077992
  H     11.67038655      8.35488297    -13.73335418
  H     10.73121330      6.08426799    -13.42709755
  O     16.06853725      5.49789423    -15.31010975
  H     11.68339532      9.73594065    -13.04448078
  H     15.18401339      8.13004916    -14.25791736
  O     14.67193111      5.51482409    -11.53104331
  H     16.78162258     11.69620446    -14.58639143
  H     14.64098578      8.74409644    -15.57935575
  O     11.88344466      7.67349752    -10.63183821
  H     18.04506447     12.44380833    -15.08023665
  H     16.17694529      9.24530677     -9.29955365
  O     19.76746878      5.49446192    -13.44627379
  H     13.52088303     10.68611166    -11.49784951
  H     16.69489276      7.88814455     -9.78006968
  O     13.35216402     10.03969182    -15.92264923
  H     15.03870318     10.89237760    -11.12222633
  H     18.97401391      8.51394876    -13.82732067
  O     11.54786483      6.55252631    -13.26877360
  H     18.25143417      7.78435982    -11.79911033
  H     19.79319829      7.40619132    -13.13132957
  O     15.29795468      8.13751102    -15.22104817
  H     17.42368341      6.48849652    -11.71989154
  H     15.99541277      7.99079528    -12.08876790
  O     16.09116287      8.29858845     -9.14371927
  H     18.54353988      7.15428969    -15.94873670
  H     14.80698789      8.97929814    -12.25138996
  O     19.47928273      8.31208731    -13.02427637
  H     19.18634418      5.92985051    -15.27813579
  H     18.92401212      9.98630677    -12.22586750
  O     15.12318493      8.09921044    -12.49184968
  H     16.77528577      5.14335985    -13.66805405
  H     18.15966175     11.14482649    -12.87619875
  O     18.36455085     10.74453679    -12.02146580
  H     16.31982032      4.92735036    -12.21528277
  H     17.98747750      9.86423428    -15.20869287
  O     17.98047230      8.90292004    -15.29542245
  H     15.69895586      6.39253646    -15.35729723
  H     17.04745506      8.64508235    -15.30621997
          69
 Energy    -249.02346824109554     
  O     11.24054237      8.55866125     -9.05341595
  H     11.79933270      8.86336525     -8.32864484
  H     10.62137419     10.61949494    -11.63867175
  O     13.39187822      9.12725133    -17.05953547
  H     11.01056006      9.34309961     -9.56907717
  H     12.77181394     12.52950594    -13.40301234
  O     12.09265252      6.71497683    -10.83792340
  H     12.65403668      8.55259332    -16.78600459
  H     13.21455591     11.16532678    -14.05608506
  O     14.07816497      9.51671389    -14.34269769
  H     13.81364633      8.70232988    -17.80121545
  H     16.76413715     11.21770709    -10.50447396
  O     13.25343423     12.09252453     -8.21170905
  H     11.74516867      7.32700068    -10.16410298
  H     16.47208239     10.60920589    -11.91160362
  O     11.63524517     11.36077646    -16.66749466
  H     11.78668050      5.84279773    -10.60445714
  H     15.81957470      8.49709236    -11.98277891
  O     11.95368444      8.00688583    -13.34097370
  H     13.41480728      8.93405394    -13.94411396
  H     15.57629750      9.18628704    -13.33898903
  O     15.52417314      8.92581274     -8.09899452
  H     14.00045454      9.40535532    -15.29847496
  H     13.97763499     13.91468206    -11.79658872
  O     13.76887312     10.66174096    -10.60896296
  H     12.57556711     12.63094805     -8.63781347
  H     12.52608296     13.69265622    -11.31813891
  O     12.95746939      9.65738419     -7.03611038
  H     14.08130073     12.59768488     -8.20913769
  H     14.24939423      8.90043103    -10.59129266
  O     15.78537781     14.05109010    -11.25168342
  H     11.96170720     11.72077792    -15.83073054
  H     13.85172593      7.41139892    -10.67673641
  O     11.01146335     10.78550528    -10.77008277
  H     12.29231050     10.70996368    -16.94425396
  H     11.08791787     10.91537205    -13.61493231
  O     12.53627321     11.85379929    -14.05396394
  H     11.33545891      8.74594533    -13.25203691
  H      9.85587008     10.17362977    -14.19328260
  O     16.39653178     11.41378201    -11.37660572
  H     11.96451415      7.52502122    -12.50617612
  H     16.27841069     12.57349457     -8.47327738
  O     16.24914733      9.03618526    -12.65956232
  H     15.29805752      8.44876051     -8.90953199
  H     15.72057838     13.70942586     -9.36020677
  O     13.08519092     13.71248660    -12.10211737
  H     14.68754276      9.09260200     -7.65006481
  H      8.65489553     10.16564174    -16.53543238
  O     14.60837133      7.99912430    -10.57620136
  H     14.58770248     10.98595478    -11.00282031
  H     10.15078197     10.49924930    -16.31583917
  O     10.35962093     10.31496563    -13.38374856
  H     13.68527698     11.10300141     -9.75310026
  H     18.08955964     10.72335277     -8.40282803
  O     15.65847926     13.31472435     -8.48141222
  H     12.74387459      9.72163230     -6.10835224
  H     16.63179159     10.21226413     -8.45800791
  O      9.41634173      9.93513402    -16.01069495
  H     13.03324117     10.56854101     -7.36942597
  H     11.05624588     12.45202649    -10.15662264
  O     17.21919182     10.94158425     -8.72533710
  H     16.05997556     13.13025393    -11.41038873
  H     10.50662328     13.83025607     -9.71333446
  O     11.31078940     13.32833712     -9.81829134
  H     16.40322787     14.60714621    -11.71985970
  H     10.52756165      8.35229901    -16.09614893
  O     11.27101516      7.73713945    -16.06548144
  H     11.97431539     10.70752021    -10.86709025
  H     11.49014752      7.63677987    -15.12884470
          69
 Energy    -249.02246652814495     
  O     13.96860602     11.70477258    -16.10311477
  H     14.60390207     12.18726352    -16.64664251
  H     20.57794941      8.04838378    -14.01267296
  O     18.97172290      7.76985059    -10.71752096
  H     14.47299783     11.00279111    -15.66350117
  H     17.02788920     13.06894024    -15.87556482
  O     15.93853168     10.49730636    -12.36731341
  H     19.16205012      7.63833722     -9.79187181
  H     16.76416084     13.29975829    -14.36826428
  O     12.72483660      9.30957748    -16.99842998
  H     18.00971952      7.88433332    -10.79023397
  H     14.64783578      7.81023027    -19.04865139
  O     16.13689599      6.26639330    -13.47091145
  H     15.68788191     10.20999816    -13.26275319
  H     14.10066966      8.57720680    -17.82304119
  O     13.44474796      6.13933999    -12.94150596
  H     16.13182966      9.69439474    -11.86578032
  H     14.24755154      9.17130509    -14.60654799
  O     18.79431564      5.92161740    -12.93379005
  H     12.98991757     10.22437389    -16.83358101
  H     15.63632633      8.88328884    -15.21507093
  O     12.73078273     12.67244393    -13.84904093
  H     12.48655901      8.94965626    -16.13458553
  H     17.62100918      9.82193179    -17.38436504
  O     18.56430863      8.97889859    -15.96369130
  H     16.15584129      6.59770891    -14.38011879
  H     16.29348150      9.55354661    -18.13687189
  O     16.28519830      7.99012499    -11.24536684
  H     17.04167349      5.98253047    -13.27149761
  H     13.40278545      7.29909158    -11.38685048
  O     16.10968818     12.74972900    -17.54653713
  H     14.39910707      6.09271308    -13.12140733
  H     13.19963116      8.78947173    -11.05049913
  O     20.52533202      7.38696153    -14.72787468
  H     13.12366818      5.24095610    -12.93153727
  H     19.78600811      9.89494790    -13.07602200
  O     17.45833198     13.10425519    -15.01510562
  H     18.97584494      6.42650131    -12.13183805
  H     19.95348293      8.81601245    -11.97690361
  O     14.90821760      8.21056942    -18.22316906
  H     19.37231927      6.29359639    -13.61103081
  H     14.53218946     13.19790197    -13.24919656
  O     15.11850547      9.56181685    -14.76841185
  H     12.05930741     13.32110386    -14.04474893
  H     15.68418635     12.39250193    -12.63357016
  O     16.97027103     10.22123500    -17.97552303
  H     13.10292740     12.38669505    -14.70072579
  H     14.00092112     10.45947767    -12.12481394
  O     13.58913474      7.97182290    -10.71910695
  H     18.47171164      9.64282835    -15.26448375
  H     12.77873705     11.20650139    -12.67266815
  O     20.38607761      9.21337822    -12.74276272
  H     19.29375125      8.40555406    -15.69711353
  H     17.65154303     10.70554656    -13.24293923
  O     15.47199046     13.24096611    -13.04266591
  H     16.26202563      7.44035693    -12.04145433
  H     18.19863681     11.66572279    -14.31443912
  O     13.04184050     10.39454569    -12.21906793
  H     15.39238153      7.96893395    -10.87159854
  H     12.57832693      9.13028157    -13.51955705
  O     18.37258852     10.82060637    -13.87030580
  H     16.31636974     13.30264556    -18.29505867
  H     12.79170970      7.63060291    -13.86546738
  O     12.60714366      8.49696540    -14.25092341
  H     16.46103174     11.86269520    -17.74568996
  H     17.19102812      7.84210204    -16.03854525
  O     16.34549832      7.37154478    -15.97902691
  H     21.42159222      7.15440643    -14.95528521
  H     15.86932165      7.50458760    -16.80835779
          69
 Energy    -249.02212798091705     
  O     12.53601835      6.11935008    -11.90214972
  H     13.20482183      5.47444962    -12.16059126
  H     14.74963669      6.09074245    -15.18302827
  O     17.09867299     10.40912048    -12.80592840
  H     12.95586219      6.68794207    -11.24127865
  H     17.64996238      7.57543232    -14.52523030
  O     17.51591808      9.26360062    -15.24303513
  H     17.40741296     10.08105591    -13.66189836
  H     18.37986952      6.27408814    -14.92264335
  O     15.60265098     12.79003359    -13.00856541
  H     16.69132202     11.27261186    -12.95568276
  H     15.62509532      9.31147261    -12.76065218
  O     13.91767543      7.91613752    -10.29009533
  H     18.12992870      9.11223463    -15.97516920
  H     14.65864918      8.38453923    -11.94923348
  O     14.99119475      9.49954718    -16.47038165
  H     16.64183696      9.39761945    -15.63227099
  H     14.68127731      3.42664362    -12.65697516
  O     13.93710824     11.52646993    -14.93624280
  H     15.29043330     12.58751902    -12.10725784
  H     14.89683080      4.62754097    -13.60413257
  O     16.71063957      5.50597288    -17.66483529
  H     15.92287480     13.68801878    -12.99244616
  H     13.29708037      9.71709225    -12.95402674
  O     11.21818884      7.58888141    -13.73973478
  H     13.51801391      8.76750034    -10.07402880
  H     11.83913486      9.32327171    -13.26402208
  O     16.81078287      6.03202410    -11.67569200
  H     14.75343463      7.82758297     -9.81398560
  H     16.69906831      6.96632698    -10.21990066
  O     13.73525830      7.53320663    -14.99825585
  H     14.64869108     10.30547216    -16.05670329
  H     16.97820874      7.05427399     -8.70040666
  O     15.41636947      5.38856236    -15.13987975
  H     14.49306390      8.76943001    -16.07617228
  H     19.78193891      5.04102146    -16.81494831
  O     17.75633065      6.64446195    -14.28503186
  H     14.50480370     12.03221777    -14.34042393
  H     18.33856169      5.56641412    -17.01212247
  O     14.83741136      8.75750153    -12.82114541
  H     13.23131262     11.17677787    -14.38048682
  H     16.88175245      9.34033697     -9.75985324
  O     14.66534117      4.38015375    -12.69351197
  H     16.46862641      6.37143019    -18.01826553
  H     17.18570724     10.26521114    -10.95574599
  O     12.38983154     10.06212916    -12.97604116
  H     16.13709878      5.34940715    -16.90339080
  H     15.94110585      8.50270454    -19.40270880
  O     16.53319642      7.49579253     -9.41860476
  H     11.63010365      7.02762723    -13.05588844
  H     15.77367051      8.71629832    -17.88418705
  O     19.18236482      5.73473845    -16.55456997
  H     10.34850269      7.23532482    -13.90234495
  H     14.06472961     11.55816423    -10.33766906
  O     16.94338199     10.26618559    -10.01857803
  H     16.08726720      5.44171233    -11.91480898
  H     15.60253495     11.45896712    -10.22070554
  O     16.24823495      8.19562194    -18.55292784
  H     17.23984285      6.27793466    -12.50512692
  H     19.16843021      7.55869663    -17.21557252
  O     14.88118096     12.03263534    -10.52328236
  H     12.80230766      7.50185985    -14.75938806
  H     18.10359246      8.37571235    -17.97264817
  O     18.91882186      8.45839266    -17.46125788
  H     14.19791727      7.90611232    -14.22849115
  H     11.72578208     10.68568342     -9.82887605
  O     12.53973954     10.40524719    -10.23993355
  H     16.23789818      5.80637897    -14.83914395
  H     12.37188032     10.36098774    -11.19642715
          69
 Energy    -249.02195353760166     
  O     11.91536693     11.69263347    -15.18828695
  H     12.55617328     12.35199664    -14.90355431
  H     14.87297003      6.34410269    -18.30419602
  O     15.83158696      7.68252172    -13.41070536
  H     11.74453535     11.11622978    -14.42905047
  H     18.79411855     10.75428202    -13.28807690
  O     16.67054489     11.51312269    -10.97351426
  H     15.58607393      8.49251777    -13.88584396
  H     18.50004497      9.33085642    -12.76133397
  O     16.64079547     13.10344809    -14.83742194
  H     16.38368763      7.96402295    -12.67135047
  H     17.33478157     10.36597598    -16.56077104
  O     12.93251588      8.14149864    -15.97488487
  H     15.88300842     11.50291727    -11.54208189
  H     16.00585410     10.67042149    -17.33795115
  O     12.82000289     10.19772244    -10.49515772
  H     17.35531541     11.96481929    -11.48063347
  H     14.16345790      9.40017440    -15.19602293
  O     13.07802732      7.39050331    -13.31174995
  H     16.64629238     12.44488166    -15.54666726
  H     15.44711437     10.27243682    -15.38511817
  O     14.41912976     11.37592188    -12.48585545
  H     15.71875149     13.34319649    -14.69479195
  H     12.02721605      9.06459544    -13.17920556
  O     16.84348328      7.01132684    -15.94527926
  H     13.53437498      7.68709340    -16.58037022
  H     11.71142430     10.13341696    -12.13205247
  O     12.91319664      7.38099082    -10.58458455
  H     12.47074209      8.81022344    -16.49683794
  H     15.34808139      8.83982172     -9.10159578
  O     18.68738601      9.16017836    -16.10539866
  H     13.46672529     10.47474662     -9.83417048
  H     14.68062572      7.64958642     -9.81208711
  O     14.83894583      7.10857402    -17.73614093
  H     12.80662182      9.23095489    -10.46213263
  H     17.78483693     12.79446688    -13.58503814
  O     18.88910216      9.81719584    -13.49823704
  H     12.86776368      7.49048894    -14.25004967
  H     19.10125392     13.23851592    -12.90370297
  O     16.58272658     10.96858830    -16.61802438
  H     14.04689796      7.38160702    -13.26858527
  H     17.16506708      9.72370855    -11.21989829
  O     14.85862862      9.87809714    -14.72873936
  H     13.78854982     10.93997882    -11.90007933
  H     16.84010737      8.33760747    -10.64518406
  O     11.56379224      9.90134005    -13.05576030
  H     14.53573406     10.82043895    -13.27219932
  H     15.71365889     11.09398185     -9.50373326
  O     15.51888869      7.95421143     -9.44507763
  H     17.52786814      7.68464533    -16.04503527
  H     15.26434474     11.22023706     -8.03129693
  O     18.42010413     12.57204356    -12.87973577
  H     16.55246304      7.06332461    -15.02537051
  H     14.81826960      8.95114913    -18.27149988
  O     17.34666212      8.78206103    -11.34053524
  H     12.91059993      7.29306815    -11.55261522
  H     13.84224916     10.13721655    -18.14863533
  O     15.07812851     10.76256794     -8.84738810
  H     12.30628726      6.72513114    -10.24998763
  H     14.04961504     12.83480615    -13.41709765
  O     14.75788499      9.91107999    -18.35445258
  H     18.79199310      9.37163796    -15.15964224
  H     13.56049965     14.28715895    -13.62652379
  O     13.88773559     13.51919715    -14.08947499
  H     19.56522287      9.10718739    -16.47388239
  H     11.98400921     10.88365585    -16.69242334
  O     12.04564425     10.32313169    -17.48802378
  H     15.58814489      7.03328984    -17.11738196
  H     11.27870614     10.51782896    -18.01929503
          69
 Energy    -249.02153273846727     
  O     18.13659332      9.44309096    -17.35269955
  H     17.77804280      8.96868301    -16.58577876
  H     15.35881898      6.18264914    -16.91661713
  O     14.22488776      6.50409121    -13.81090072
  H     17.58675440     10.22797118    -17.44244013
  H     16.37837749      5.41736573    -11.34744403
  O     19.72676182     13.31138341    -11.95166236
  H     14.63120540      6.13780394    -14.61072490
  H     17.10166141      5.78395951    -12.65851386
  O     19.74679822      7.62148059    -14.00030779
  H     14.88429849      6.39247125    -13.11732542
  H     19.82614052      9.56869055    -16.48076715
  O     15.06936028      7.07095670    -18.50545663
  H     19.86277147     12.75103064    -11.17738560
  H     20.27403995     10.29718366    -15.20528437
  O     16.97947537     11.43247194    -10.24128601
  H     18.78919240     13.54174260    -11.94342235
  H     18.01774339      7.82516362    -14.71451701
  O     15.59021623      9.82565434    -13.79712812
  H     20.14299259      8.18226765    -14.68431076
  H     16.71324975      7.27667280    -15.39167705
  O     19.43240781     11.45189729    -13.97135981
  H     19.74004657      8.14858220    -13.19151116
  H     16.13731539     12.36477781    -17.63665046
  O     18.34510388      5.28070534    -13.80812157
  H     14.44409698      6.92259650    -19.20940300
  H     16.42654633     11.89201401    -16.19691770
  O     13.16119184      8.82831903    -14.67303890
  H     14.83597777      7.92446519    -18.09753918
  H     16.23386283      9.24404286    -12.22956250
  O     18.14790297      4.74552817    -16.64407815
  H     17.90320050     11.41302010     -9.95956070
  H     16.61676302      7.91220803    -11.54518776
  O     15.64056723      5.81884409    -16.06663417
  H     16.76921210     10.53126517    -10.51591927
  H     13.94790699      9.23458465    -16.37647430
  O     16.44276391      6.09712661    -12.01443172
  H     14.67641375      9.60350411    -14.01041984
  H     14.97190793     10.12561090    -17.13515952
  O     20.49755914      9.55723446    -15.78683381
  H     16.15337805      9.20722891    -14.29162377
  H     19.77960256     10.57437631    -10.59590828
  O     17.18302690      8.07733607    -15.13089746
  H     19.70176876     12.15637777    -13.36399360
  H     20.47274244     10.99661952     -9.28027354
  O     16.23887673     11.58315473    -17.09837072
  H     18.53942173     11.67452668    -14.26130622
  H     18.44505860      9.27145120    -11.78787621
  O     16.69983944      8.87033754    -11.46674792
  H     18.99941783      5.99605734    -13.80757493
  H     19.36535118     10.15893918    -12.69124258
  O     14.40540026      9.34990687    -17.21785562
  H     18.30459210      4.98121528    -14.72264227
  H     16.33420481     14.23026780    -11.58610447
  O     19.81688270     11.26941169     -9.91637560
  H     13.47491369      7.96555365    -14.34341143
  H     16.81513317     12.77954805    -11.35386573
  O     19.36575294      9.50629290    -11.97386186
  H     12.23921721      8.89435446    -14.44100207
  H     16.28761812     11.37747953    -14.17977758
  O     16.83917126     13.52429231    -11.98122317
  H     18.56208198      4.00537905    -17.07981570
  H     16.73908994     12.77467986    -13.68785118
  O     16.73898060     12.19141422    -14.45676089
  H     18.18263874      5.48959800    -17.27180145
  H     16.97673653      6.88118510    -18.58986937
  O     17.92129369      6.83436722    -18.39480282
  H     16.41383925      5.26799445    -16.24247050
  H     18.17031025      7.74187524    -18.17712614
          69
 Energy    -249.02151875167385     
  O     -2.94765093      3.80516848      3.82367881
  H     -2.85450095      3.44894009      4.71562885
  H     -1.27455328     -3.88295749      3.54061882
  O     -2.72173656      1.97360757      1.78929655
  H     -2.15313147      4.33060283      3.67046593
  H      0.42471984     -1.36800473      2.19493580
  O     -2.23909281      2.76677777      6.40658716
  H     -2.78522167      1.09324017      2.18020825
  H      0.54055312      0.14714214      1.90558667
  O      1.97378459     -2.68407980      0.33947154
  H     -2.94526708      2.61265459      2.48153711
  H     -0.54874238      0.59043833      5.03331504
  O      0.96255190      0.82500082     -1.84446331
  H     -2.48829721      3.08044146      7.27152291
  H     -1.81433044      1.05287119      5.79007518
  O     -1.09248385     -0.73789673     -0.75046768
  H     -1.34136236      3.10403992      6.23009322
  H      1.86587709     -2.21291204      3.82397406
  O     -2.51713759     -0.57862361      2.94732363
  H      1.95372896     -2.80633619      1.29926907
  H      0.78713840     -3.25821427      3.45271129
  O     -0.38678705      3.15625697     -1.63481310
  H      1.11441852     -2.99125546      0.02871622
  H     -0.97387463     -2.47153653     -0.61211824
  O      2.95346860     -0.15092122     -0.05675563
  H      1.73131681      0.54572400     -1.33499013
  H     -1.08890424     -3.95643164     -1.02519647
  O     -0.20667703     -2.10137726      6.20265861
  H      0.26004050      0.20217368     -1.61038168
  H      0.13329198      4.10182907      4.84081443
  O     -2.21263268     -3.31016331      2.21903441
  H     -0.72040236     -0.64039961      0.13929631
  H      0.69631258      2.76432076      5.37105629
  O     -0.64875708     -4.13258628      4.24435799
  H     -1.76102213     -0.04721239     -0.86549387
  H      1.16667037      2.10965138      1.58399681
  O     -0.04556965     -0.61340718      1.81841947
  H     -1.64754275     -0.59206616      2.51460732
  H      2.26146592      1.02707983      1.24780967
  O     -1.41152515      0.29191010      5.35476498
  H     -2.32613814     -0.33125130      3.86220513
  H      1.41970433     -1.64735565      5.82603760
  O      1.44729068     -2.65973860      3.07823460
  H      0.14917825      2.35475603     -1.77852744
  H      2.94267222     -1.56814200      6.10592139
  O     -0.78936251     -3.38306693     -0.32369071
  H     -0.29055434      3.69645521     -2.41392613
  H      1.50602020      1.29269584      3.74648319
  O      0.23423848      3.57017639      5.64040596
  H      3.87724091     -0.24913561     -0.27415923
  H      1.69079186      0.34903258      4.96555486
  O      1.78650916      1.46909994      1.96319658
  H      2.60122360     -1.05125884      0.05682724
  H     -0.26510253      4.36269692      2.44423895
  O      2.27575085     -1.35732688      5.45835361
  H     -0.48429405     -2.80850914      5.60698203
  H     -0.15162218      5.83102263      2.90899396
  O      1.21742124      1.13045050      4.65515823
  H     -0.75982696     -1.33285365      6.00539295
  H     -2.87351874      1.71014558     -0.04796616
  O     -0.35634160      4.94983880      3.21221123
  H     -1.79211277     -3.31677688      1.35129678
  H     -2.06053405      2.13910214     -1.28717374
  O     -2.68821508      1.48020085     -0.96975260
  H     -2.50813286     -2.40728608      2.39679705
  H     -1.10167917      2.66838352      1.37293572
  O     -0.27843117      3.12406729      1.13924269
  H     -0.79802736     -5.05545508      4.43065990
  H     -0.28701084      3.25038020      0.18169904
          69
 Energy    -249.02128654095262     
  O     16.74774336     10.27495275    -17.03012886
  H     17.59011834     10.71231232    -16.85422695
  H     19.91792624      8.10149415    -15.42806758
  O     15.48968000      5.22027126    -13.59850472
  H     16.02579690     10.81787346    -16.68809581
  H     16.80406113      9.02123459    -15.67743015
  O     18.84451469     13.73212798    -11.84094609
  H     15.77060394      5.34645673    -14.51946127
  H     16.51069278      7.54432722    -15.32300767
  O     14.24545545      6.93313075    -17.86651558
  H     15.23924583      4.30272016    -13.51381152
  H     13.92195274     12.17696380    -16.06716779
  O     17.07304050     10.87881749     -9.08932987
  H     19.23081173     14.54090125    -12.16734333
  H     14.90184118     11.76540491    -14.94671151
  O     15.36845399      9.38499627    -12.81121912
  H     18.79193845     13.12215121    -12.59483470
  H     16.30238054      8.93984625    -11.37295364
  O     18.52984732     11.75835145    -13.78040450
  H     13.48041391      6.56592475    -18.29996685
  H     17.18243341      7.75075826    -10.93172372
  O     19.22707226      7.71546034    -13.75541834
  H     13.92052908      7.62458572    -17.25965271
  H     13.41635259      8.30852952    -15.23081834
  O     13.58682407      7.42447798    -13.66274464
  H     17.01038995     10.04049727     -9.57734191
  H     13.77022993      9.65502699    -15.92293919
  O     16.22297156      5.90446530    -16.16751212
  H     16.76167256     10.70136148     -8.20508079
  H     18.85561368     11.47621775     -9.54810188
  O     17.58012585      6.26493319    -11.89193045
  H     15.39366782     10.33911787    -12.94570059
  H     19.50510924     12.49412730    -10.50356564
  O     19.98295570      8.41713222    -16.34045990
  H     15.86269465      8.99300929    -13.54847333
  H     18.43594163      9.39080011    -11.53706184
  O     16.80019405      8.38592943    -14.95066096
  H     18.87613443     11.54975951    -14.65540778
  H     19.57395818     10.40112590    -11.26897432
  O     14.54254111     11.49925574    -15.80956761
  H     18.76527872     11.02888281    -13.18659556
  H     17.09298179     13.36291816    -11.10770516
  O     16.95517812      8.66535376    -10.71106343
  H     18.38208657      7.96067083    -14.16474957
  H     16.43090653     12.27709273    -10.24194858
  O     13.45068436      8.76353272    -16.08654249
  H     19.42601694      8.41377345    -13.11597836
  H     18.85947537      5.96802262    -18.49933614
  O     19.68508854     11.69485718     -9.99320810
  H     14.06333645      8.12320526    -13.19251741
  H     17.82993738      7.10739871    -18.29013585
  O     19.20634461      9.81210567    -11.94247995
  H     14.13140597      6.63514175    -13.56883283
  H     15.75463603     12.44893736    -12.55016672
  O     16.24150523     12.95743380    -10.89981536
  H     15.50211970      6.15869016    -16.76091402
  H     16.71784021     11.95717435    -13.65157905
  O     18.43892413      6.50115894    -17.82948050
  H     17.04294289      5.96423649    -16.67463250
  H     19.63132932     10.10732562    -16.37324855
  O     15.77982310     12.07287293    -13.44220832
  H     16.87023865      5.88351537    -12.42189145
  H     20.00913186     11.51011675    -16.90454363
  O     19.37064096     11.04701695    -16.36872904
  H     18.25085807      6.56459641    -12.51853870
  H     15.73399273      7.78409010    -18.67574969
  O     16.59416842      8.18043693    -18.86373841
  H     19.51954284      7.76302718    -16.87607516
  H     16.63614165      8.98538014    -18.32813309
          69
 Energy    -249.02099553723841     
  O     18.74629910      6.17778622    -10.04496633
  H     18.05406590      5.50173825    -10.07995930
  H     15.88422630      8.86302010    -15.20689981
  O     16.45480832     10.43260753    -14.41101475
  H     18.47267426      6.75970730     -9.32914093
  H     12.47517892      4.07010562    -14.03177279
  O     13.06686505      6.57972548    -11.99259266
  H     16.81302742     11.21893190    -14.81398655
  H     13.95570139      4.12453036    -13.60108130
  O     11.67502188      4.13689820    -15.72144066
  H     17.11332173     10.12448694    -13.76198496
  H     16.06044159      7.70295048    -11.23210451
  O     14.05095913     10.40571035    -12.84317428
  H     12.94681559      5.69870390    -12.37425457
  H     16.00742911      6.14623127    -11.11786866
  O     16.60469319      9.19479626    -10.26818012
  H     14.02375063      6.71438031    -11.90260677
  H     19.27458068      6.70245438    -11.64080108
  O     18.17820620      9.54110622    -12.54150478
  H     11.66412541      5.08372263    -15.94974750
  H     20.44719916      6.81917955    -12.63852507
  O     14.40496112      4.04701883    -16.65646335
  H     10.87289612      3.76009784    -16.07217584
  H     13.43163556      8.54942559     -9.61065843
  O     17.27364573      7.68706228     -7.99884797
  H     13.54139590      9.74154662    -13.32605487
  H     12.99554877      7.22632129    -10.26913399
  O     11.89093674      6.76044804    -16.38473202
  H     14.86758112     10.52005518    -13.34249911
  H     14.45837368      5.69744649     -7.29086667
  O     14.46122980      6.75348866    -17.64121846
  H     16.85811832      8.78882492     -9.43016305
  H     14.31962762      6.66119907     -8.49227833
  O     15.58961465      7.97817907    -15.45719313
  H     15.75589043      9.63896839    -10.14065543
  H     13.88766668      8.05375962    -14.62149349
  O     13.04921755      4.14680723    -13.26022675
  H     17.70370626      9.51243553    -11.69885002
  H     12.93592043      7.63575586    -13.46069825
  O     15.77231271      6.89853342    -11.67961112
  H     18.69872087      8.73079194    -12.58373904
  H     13.64851362     11.07616724     -9.81226388
  O     19.51789097      7.00541365    -12.53340026
  H     13.47375072      3.94469820    -16.42398537
  H     13.99454064     10.34243845    -11.12883871
  O     13.23970011      7.62359967     -9.42104777
  H     14.47516752      4.91643845    -17.06872726
  H     18.06721190      6.44708010    -13.64815065
  O     14.95482151      6.12259370     -7.98518171
  H     17.54922583      7.88646317     -7.10726662
  H     16.61329735      6.53088142    -13.16775469
  O     13.01149911      8.20456894    -14.24089434
  H     16.48428220      7.12666455     -7.92859964
  H     15.92904539      4.02652769    -10.53567967
  O     14.03334895     10.27488374    -10.15664090
  H     12.66841121      6.79723772    -16.95587090
  H     15.81493946      5.00326416     -9.30735841
  O     17.16027675      6.29731902    -13.93603077
  H     12.09855938      7.33246785    -15.63360733
  H     15.55527823      3.07549352    -12.53385548
  O     16.37257506      4.73628528    -10.04654964
  H     14.90609921      7.22733563    -16.91849663
  H     14.19431131      3.12012333    -11.86825211
  O     15.12196201      2.94301280    -11.67761283
  H     14.82317217      7.09276207    -18.45579279
  H     16.30157710      4.66733190    -14.19938884
  O     15.71920580      3.89923600    -14.24162447
  H     16.17990520      7.35395897    -15.01126542
  H     15.36625160      3.85990265    -15.14297180
          69
 Energy    -249.02075927743783     
  O     17.02247982      8.58594675    -10.39936971
  H     16.62936730      7.85045290     -9.90968819
  H     12.07469587      7.60972042    -15.56104729
  O     10.96162365      8.98325257    -12.69825773
  H     17.60216286      8.18181807    -11.05551722
  H     15.70082722      4.88459927    -12.95404951
  O     12.70902477      3.63349475    -12.66102123
  H     10.55880460      8.13065241    -12.49379289
  H     14.60326097      5.88123421    -13.36033652
  O     14.58854879      5.82807242    -16.22073730
  H     11.34484774      8.89911345    -13.58107306
  H     14.47215777      8.20468958    -12.68953488
  O      9.84466193      6.39853127    -12.04401956
  H     13.50875265      4.06024497    -13.00227481
  H     13.32192002      7.70398640    -13.60784733
  O     15.19455200      3.90469101     -8.27352993
  H     12.39819739      4.15638989    -11.90906003
  H     15.77758356      9.45602287    -11.33896831
  O     12.56507724     10.04410436    -10.76585528
  H     14.79712517      5.40418493    -15.37769191
  H     14.33087779     10.01592745    -11.55092253
  O     16.92949771      5.07272953    -11.56826468
  H     13.63361026      5.74808342    -16.34004088
  H     13.39298470      2.25786401    -11.59179188
  O     14.97406170      8.51166240    -16.25714098
  H     10.41452887      5.90859694    -11.42812929
  H     14.69241012      1.95449457    -10.80805675
  O     12.50317011      2.98714182     -8.76561329
  H      8.95520180      6.32945238    -11.70361978
  H     12.92906737      8.25514339    -10.16943999
  O     11.73959177      6.00270645    -16.42839753
  H     14.27073654      3.63037791     -8.31343836
  H     13.40527389      7.25898738    -11.23108008
  O     12.39891174      8.37240032    -15.06278448
  H     15.66113272      3.34879845     -8.90997831
  H     11.37773263      4.25700692    -13.78968687
  O     14.95195242      4.99510772    -13.55103168
  H     12.14110494     10.79888075    -10.36696624
  H     10.33152560      5.36959938    -13.58042785
  O     13.93789553      7.43080534    -12.91713249
  H     11.96758680      9.72324718    -11.46574494
  H     12.19444317      5.85254375    -10.25115172
  O     15.14437800      9.77089833    -12.00497026
  H     16.46454990      5.52526013    -10.84767830
  H     11.86048144      4.40011300     -9.77874420
  O     13.74575358      1.76830650    -10.83580618
  H     17.50245972      5.73318347    -11.97818582
  H     17.26270500      2.03225091    -10.49496388
  O     13.17808937      7.33214573    -10.28974377
  H     14.91518123      7.53906242    -16.28296086
  H     16.71499198      3.40691733    -10.93247078
  O     10.73272259      4.80829126    -14.25367918
  H     15.22161984      8.79604112    -17.13330882
  H     15.51038180      5.55419112     -8.90227189
  O     11.65373335      5.07106357    -10.44105192
  H     12.91258312      2.46199239     -9.47806461
  H     14.77032471      6.70022182     -9.65152138
  O     16.47395305      2.56932505    -10.50403533
  H     12.04961908      2.37232141     -8.19516467
  H     17.79760947      7.81538393    -13.22171244
  O     15.64405516      6.33955356     -9.45189325
  H     11.34441324      5.52684235    -15.67538843
  H     19.24282724      7.39840130    -12.87388211
  O     18.33157210      7.25278485    -12.63288978
  H     11.20962331      5.79551282    -17.19304987
  H     16.27331648      9.44107998    -13.45362648
  O     16.79095918      8.94285206    -14.10096513
  H     13.23203583      8.62680554    -15.48096473
  H     16.20907395      8.80224213    -14.85672624
          69
 Energy    -249.02064267534990     
  O     12.32073797      9.56701934    -12.58960876
  H     13.16318349      9.56576449    -12.11113373
  H     15.45054144      5.98630047    -17.83154156
  O     14.17837906      6.61010124    -14.93575285
  H     12.41368446     10.20017391    -13.31654771
  H     17.20605117      7.29214564    -16.51658340
  O     17.08224394     10.24532506    -10.42330316
  H     13.27402289      6.94398821    -14.88009355
  H     17.83658778      8.48354971    -15.77170861
  O     15.16952659     11.44911725    -16.33934405
  H     14.74104201      7.23619948    -14.45066131
  H     13.56087292     11.25088641    -15.24739879
  O     11.62663218      7.62342571    -14.48547769
  H     17.55812262      9.54094613     -9.96437682
  H     12.26064766     10.51242723    -15.59026106
  O     16.53009376      6.09525712     -9.74801831
  H     17.63184661     10.49276151    -11.17663672
  H     16.54057099      7.61783262    -13.29611309
  O     14.05942230      5.09581941    -12.55881542
  H     15.21985482     12.20755385    -16.91553598
  H     15.46088747      8.57328585    -12.65077860
  O     14.67469631      9.26931867    -11.20683727
  H     14.89231635     10.69543754    -16.89238898
  H     10.55896092      8.17212182    -10.20357066
  O     14.28230592      9.31007160    -17.72779774
  H     11.87857628      8.30554299    -13.84603384
  H     11.51952945      8.48422902    -11.37141819
  O     16.76121132      4.44396530    -12.08206341
  H     11.34330312      6.85522226    -13.96982476
  H     19.26123059      8.02484623    -10.99847039
  O     17.16561519     10.10932247    -14.90557964
  H     16.66200716      5.46599635    -10.46695305
  H     19.38064395      8.97444251    -12.20891625
  O     15.52229160      6.77766741    -17.30343278
  H     15.58831157      6.30823012     -9.75283424
  H     11.11817609      6.23577728    -11.91831191
  O     17.96071264      7.54742165    -15.97253812
  H     14.11430785      5.52970613    -13.42113528
  H     12.10368798      5.23571107    -12.55659677
  O     12.69596939     11.01587597    -14.89205706
  H     14.93506725      4.72478981    -12.39175427
  H     18.22499720     10.55265375    -13.53791476
  O     15.80127172      8.21360870    -13.47933424
  H     15.47201888      9.67820023    -10.83861353
  H     19.31993264     11.43989946    -12.90764296
  O     11.24204330      7.79083154    -10.74963992
  H     14.50294382      8.43533132    -10.74999806
  H     18.60897443      6.96109179    -12.91540172
  O     19.53987387      8.06657891    -11.92228837
  H     14.72594654      8.45526790    -17.67407350
  H     18.05702259      6.71901270    -14.36458453
  O     11.22312919      5.61972882    -12.65466015
  H     13.35679927      9.16033339    -17.49586301
  H     18.79830349      7.85794953     -8.45664329
  O     18.74767910     10.69696995    -12.73195648
  H     17.26818292      3.63917251    -12.15105089
  H     17.73984491      7.29907846     -9.43553564
  O     17.96642534      6.45563623    -13.43744254
  H     17.22665540      5.11604776    -12.61145743
  H     11.52292838      8.50738598    -16.01585684
  O     18.41196848      7.99377379     -9.31750705
  H     16.62077217      9.46789879    -14.42196839
  H     10.75585957      9.10977541    -17.21401278
  O     11.60558298      9.10204979    -16.78053329
  H     16.55259337     10.66104251    -15.40588438
  H     12.93486505      7.05308156    -10.26319816
  O     13.85211636      6.75897619    -10.31110007
  H     15.02212855      6.61622622    -16.48478319
  H     13.91263122      6.19249025    -11.09511488
          69
 Energy    -249.02048080710961     
  O     11.73209685     10.38287906    -14.40208532
  H     12.26491357     11.18476734    -14.44203984
  H     15.77688348      5.93687018    -15.22199484
  O     16.22605181      6.85651481    -13.64376817
  H     12.06904817      9.80806010    -15.10413950
  H     17.87605604      7.48188207    -13.63128507
  O     17.05776995     10.63248649    -11.00771678
  H     15.86971390      7.66244281    -14.05307119
  H     18.93863655      7.99187642    -12.64979462
  O     17.34243919     10.71580513    -15.88134577
  H     15.73173105      6.73723065    -12.82410948
  H     14.72076254     11.06607717    -17.45178149
  O     12.62406643      5.99138081    -15.67628362
  H     16.61808286     10.39252381    -10.17853437
  H     15.86689586     11.56503726    -16.56446649
  O     15.60028868      9.53554374     -8.93308816
  H     16.34223725     10.83517691    -11.62743280
  H     15.92836701      9.66034640    -15.22277411
  O     14.70374327      6.82972316    -11.30779329
  H     17.90305842     10.01922588    -16.24136109
  H     14.49201268      9.03140286    -15.23968413
  O     14.89212965     10.97933555    -12.70578263
  H     17.74189836     10.95977464    -15.03257357
  H     10.23455525      8.99271903    -12.01998603
  O     16.46741638      7.71237931    -17.69997593
  H     11.96880018      5.34044439    -15.91233443
  H     11.33000858      9.44965234    -13.01398090
  O     16.83202462      6.92511860     -9.44162184
  H     12.56344892      6.11323013    -14.71118695
  H     18.16195320      9.24696569    -10.90289674
  O     18.92290280      8.38881715    -16.34184011
  H     15.93214922      8.63147680     -8.90306323
  H     19.54859337      8.83321927    -10.36919032
  O     15.43847132      5.71383208    -16.09936465
  H     14.77745946      9.49565422     -9.44133947
  H     11.95113431      7.23655557    -12.75578795
  O     18.73325007      7.93605947    -13.58904706
  H     15.37654510      6.71567941    -10.62680307
  H     13.20842350      6.40951339    -12.41534319
  O     14.95676774     11.76262978    -16.82892760
  H     14.32667066      7.71097646    -11.16698747
  H     18.14071938     10.97082128    -12.58084016
  O     15.28342791      9.16400883    -14.70282792
  H     14.46053075     11.68416229    -13.20097715
  H     18.65400893      9.86319678    -13.51129493
  O     11.15444690      8.87984103    -12.24263792
  H     15.04164481     10.27285800    -13.35334416
  H     15.25180062      8.81629476    -18.21568442
  O     18.75643880      8.48663090    -10.77464281
  H     17.33944714      7.87461112    -17.32761809
  H     14.41753133      9.37162934    -19.39412109
  O     12.45963962      6.46022609    -13.02154525
  H     16.10363733      6.95998602    -17.20820495
  H     12.66310191      9.21209641    -11.21254747
  O     18.56422886     10.82233586    -13.43368352
  H     17.23728188      6.27859698     -8.86828037
  H     13.97451103      9.97948314    -11.49530385
  O     14.51223045      9.40885741    -18.44647298
  H     17.55253393      7.37404318     -9.91021395
  H     13.36518602     13.50037363    -14.72796716
  O     13.56143647      9.34905790    -10.88776057
  H     18.94232086      8.16790209    -15.39711006
  H     14.04245189     12.30373294    -15.43051506
  O     13.57014751     12.57509677    -14.62317827
  H     19.81014399      8.25665237    -16.66786210
  H     12.82799463      7.75775173    -16.15667830
  O     12.97707224      8.70924881    -16.23343943
  H     14.47844645      5.70247236    -16.00810034
  H     13.38328796      8.89105013    -17.09074582
          69
 Energy    -249.02029727482579     
  O     10.98911367      9.52289925    -11.88060227
  H     10.25714015     10.10035323    -11.67807330
  H     17.04535066      5.72570015    -16.26761256
  O     14.57129509      6.64286273    -14.77637910
  H     11.47042447      9.93161248    -12.61866855
  H     18.38855668      6.69361175    -14.61521498
  O     16.56511744     11.98236752    -11.23012994
  H     15.08597123      6.12058710    -15.40182611
  H     18.51845111      7.37432727    -16.00591452
  O     18.31311572      8.92049618    -17.15509876
  H     15.11187446      7.40200661    -14.50683403
  H     14.05586485     10.64672423    -16.59250230
  O     12.24237763      7.90062804    -15.39119790
  H     16.21684002     12.83164170    -10.97132241
  H     15.24156453     11.22381833    -15.79195451
  O     15.83207913      7.97526626     -9.45476492
  H     15.80887057     11.44587920    -11.52237679
  H     16.34570823      9.41504504    -14.45614930
  O     13.73267045      6.16515738    -12.17437167
  H     17.46981613      8.60308614    -17.52802770
  H     15.53897494      9.25196143    -13.14321965
  O     14.54792412     10.32585217    -12.05007465
  H     18.89697493      9.08313806    -17.89146799
  H     19.04624213      9.34303738    -10.96070776
  O     15.94597018      7.92488095    -17.99840165
  H     11.63410147      7.52156300    -14.74232302
  H     20.53785433      9.14270559    -11.32718058
  O     16.35881521      5.71030656    -11.15836943
  H     13.07858186      7.42639473    -15.25850674
  H     10.87902943      7.71430235    -12.60714266
  O     17.02089212     10.74112251    -15.46056337
  H     16.03761704      7.16797061     -9.94100735
  H     11.80898649      6.48996346    -12.70119724
  O     16.20842830      5.40966349    -16.65582437
  H     14.89655310      8.14465976     -9.61720976
  H     17.88577922     11.61216134    -12.54579880
  O     18.41062696      6.52230660    -15.56517576
  H     14.54880134      5.87621507    -11.74720201
  H     18.96953552     10.54865891    -12.79035275
  O     14.28501282     11.29238845    -15.91342751
  H     13.96677164      6.26574857    -13.10844058
  H     18.66192702      7.75836856    -12.43421828
  O     16.00090319      8.76120809    -13.83359772
  H     13.88257481     10.43234112    -12.74347315
  H     17.29960708      7.76095917    -13.17220857
  O     19.65487493      9.09691064    -11.68297533
  H     14.19130531      9.68275975    -11.42248399
  H     17.14635447      9.20282168     -9.63110302
  O     11.04250021      6.90811958    -13.11168334
  H     15.06935193      8.30949846    -17.88110624
  H     17.41107419     10.63081334    -10.17286408
  O     18.48735986     11.26583751    -13.21737187
  H     15.90887750      7.02528859    -17.65089622
  H     12.75774985      9.26090341    -18.30897725
  O     17.99983783      7.17998882    -12.83520586
  H     16.79864559      4.91812854    -10.85887271
  H     12.87530371      8.67807121    -16.88517216
  O     17.84736241      9.83597505     -9.84526472
  H     16.97783740      6.16320997    -11.75464619
  H     13.37496388      7.60288254    -11.11661049
  O     13.37557635      9.10970192    -17.59693566
  H     17.59916824     11.01603381    -14.73132231
  H     12.39393820      8.76576118    -10.81886002
  O     13.24407851      8.38846236    -10.56357683
  H     17.55059747     10.22067892    -16.07722720
  H     12.44438565      9.48465429    -14.44511079
  O     12.58194407     10.33896953    -14.01320379
  H     16.36853120      4.53081613    -16.98727794
  H     13.12504461     10.85008118    -14.63311331
          69
 Energy    -249.01966219597031     
  O     13.16300624      2.02042131    -11.52669066
  H     12.93126602      1.21137884    -11.07618561
  H     17.02885077      7.23025173    -13.19451329
  O     18.26908560      5.16287978    -11.60584078
  H     13.73222617      2.52186569    -10.91888962
  H     10.43936591      6.72693037    -13.62243116
  O     14.15643890      8.18062944    -11.28582675
  H     17.97474319      4.24463197    -11.58651239
  H     11.17054392      8.01492627    -13.20224601
  O     14.31736570     10.58820000    -15.20159268
  H     18.01526390      5.51918358    -12.46724631
  H     14.38867922      5.24483765    -12.73162776
  O     17.70543125      7.02372946     -9.73727786
  H     13.74186776      8.18753714    -10.41650809
  H     14.49376366      4.86356334    -11.22751087
  O     14.97751009      3.49369777    -10.06459456
  H     14.23416566      7.24108285    -11.52231042
  H     14.52083776      2.11952383    -12.91828050
  O     17.23256944      2.53988169    -11.47400136
  H     14.46045338      9.86888075    -15.84429736
  H     15.22782786      3.12729808    -13.85934037
  O     12.82161480      8.79880688    -13.63286870
  H     14.02957971     11.34961839    -15.69835044
  H     12.32909527      6.85773975     -9.48015815
  O     14.78720382      8.42995606    -16.77661974
  H     18.45916851      7.15782479     -9.16821294
  H     12.34639480      7.70374232     -8.18732207
  O     16.98956378     10.10010099    -14.28386874
  H     17.94835058      6.31363798    -10.36003143
  H     17.22104491      8.17508432    -11.15511365
  O     17.56784256      8.15530199    -16.08326121
  H     15.83022953      3.18261987    -10.39426510
  H     15.84268604      8.56480093    -11.70677003
  O     17.21810174      6.53036893    -13.83544170
  H     15.13454224      4.21657414     -9.43760595
  H     16.08139577      6.30215424     -8.98430636
  O     10.47772490      7.39777762    -12.93029711
  H     17.76149880      1.74977980    -11.40477506
  H     14.56313128      6.37245860     -8.66128686
  O     14.12253585      5.50745099    -11.84231497
  H     16.62065663      2.40607977    -12.22058133
  H     12.40934630      5.73980485    -11.25279143
  O     15.34467521      2.28839902    -13.39037974
  H     13.27724995      8.68035188    -12.78778569
  H     11.09388932      6.53262896    -11.47873047
  O     12.90216806      7.37753154     -8.89023539
  H     13.26588404      9.51513130    -14.10196885
  H     15.85806760      5.41657810    -14.23309880
  O     16.78660908      8.56556768    -11.92301401
  H     14.24836270      7.69775322    -16.44913225
  H     14.41471442      5.42893175    -14.82253700
  O     15.33204971      5.79084978     -8.65469061
  H     15.71155903      8.18648168    -16.64486443
  H     11.06100829      4.37482154    -11.82622646
  O     11.56075146      5.96841354    -10.84234691
  H     16.97524689      9.70799948    -13.40035246
  H     11.79223146      3.09320910    -12.25658110
  O     15.06572013      4.87676592    -14.36824283
  H     16.08777100     10.38436224    -14.47813865
  H     10.91970533      4.60178731    -14.03307901
  O     11.10874603      3.71628262    -12.53046118
  H     17.43995432      8.91105877    -15.48010475
  H     10.10884008      4.80337521    -15.33269614
  O     10.79207933      5.19468629    -14.79464070
  H     18.30489871      8.37226357    -16.64765571
  H     12.33778055      6.09063068    -15.28794799
  O     13.15264792      6.60533569    -15.35031669
  H     17.44264242      6.97312223    -14.66332417
  H     13.05292294      7.34688613    -14.73554791
          69
 Ord_Energy   -249.019516    
 O   -5.06640911      -3.43155813       2.48492455    
 H   -5.49599743      -4.06487656       3.05346084    
 H   -5.25021935      -3.70679355       1.56749892    
 O  -0.878290117      -1.44192708      -3.13671947    
 H   -1.61495626      -2.00811076      -3.39614415    
 H  -0.329180807      -1.95727098      -2.53235030    
 O   -1.05598652       2.55822682       2.07875893E-02
 H   -1.88532794       2.87017012      0.398758352    
 H   -1.29342318       1.95327508     -0.697260618    
 O   -3.15871096      -2.99744678      -3.89691353    
 H   -3.32641315      -3.69323134      -3.24243641    
 H   -3.15314317      -3.42509985      -4.75107718    
 O  -0.238860264      -2.34075212       3.25876784    
 H   -1.03865278      -2.58269215       2.75955939    
 H   -3.60462293E-02  -3.07595801       3.83057547    
 O   0.996755481      -1.31746042      0.912491858    
 H   0.677675962      -1.70333505       1.73726583    
 H   0.984862030     -0.362207651       1.04696369    
 O   -3.50574350      -5.02047157      -2.00992393    
 H   -2.74318671      -4.85169220      -1.42520976    
 H   -3.54145789      -5.96344519      -2.14837742    
 O   -4.17871428       1.69051707      -3.19759989    
 H   -4.25712538       2.44287372      -3.77779555    
 H   -4.62354803       1.93054521      -2.36380386    
 O   -3.58093476       3.16803455       1.25445116    
 H   -3.53307223       2.32307243       1.73532569    
 H   -3.71990609       3.84850502       1.90809917    
 O   -5.79591608     -0.631289601       2.62970328    
 H   -4.95917988     -0.151884943       2.71192288    
 H   -5.57457447      -1.56933856       2.62214065    
 O   -3.35961795      0.703819096       2.38611293    
 H   -3.25703073      0.193508685       1.56882751    
 H   -2.53682041      0.614636838       2.88841414    
 O   -3.12714267     -0.824629366       8.63211527E-02
 H   -2.65393329     -0.310327202     -0.579817474    
 H   -3.99977660      -1.03590238     -0.271822363    
 O   -2.42348051      -2.89412093       1.73731709    
 H   -3.28466034      -3.13459659       2.10004091    
 H   -2.57997227      -2.16330647       1.11884487    
 O   0.834593952       1.43473434       1.56672144    
 H    1.56617713       2.04111218       1.64208341    
 H   0.171732709       1.86659217      0.998203576    
 O   -5.30272818       2.30714607     -0.822147787    
 H   -4.72836733       2.67704296     -0.140054017    
 H   -5.94250250       1.74956524     -0.363677382    
 O   -5.45248938      -4.02956104     -0.111286171    
 H   -5.62316179      -3.13329172     -0.440826893    
 H   -4.84346247      -4.42560816     -0.742331207    
 O   -7.06112862      0.514381826      0.530503392    
 H   -7.98972225      0.624447465      0.715629220    
 H   -6.65839863      0.125571713       1.32819176    
 O   0.705011070      -2.87410545      -1.26405025    
 H   0.819680870      -2.27817106     -0.501635194    
 H    1.57724822      -3.17581463      -1.50442457    
 O   -5.66460180      -1.42829025     -0.935170114    
 H   -6.24804068     -0.773060441     -0.536625326    
 H   -5.59378386      -1.24823809      -1.88453293    
 O   -5.15094042     -0.949496984      -3.55862784    
 H   -4.42960691      -1.56530321      -3.73616791    
 H   -4.77740669      -5.85966595E-02  -3.56116080    
 O   -1.45495355      -4.46737862     -0.381813049    
 H  -0.688244402      -3.97382402     -0.698725581    
 H   -1.77133858      -4.00334501      0.404296786    
 O   -1.90418112      0.731019139      -1.87114954    
 H   -2.63008690       1.07718933      -2.40467048    
 H   -1.47149348       2.53975894E-02  -2.37490058    
 O  -0.910659254      0.413785607       3.57224774    
 H  -0.281077325      0.825177372       2.96566486    
 H  -0.659977734     -0.517085373       3.61505461    
          69
 Energy    -249.01943713293301     
  O     11.96864593      6.58627268    -15.80337885
  H     11.86707552      5.69495329    -15.45005737
  H     14.17783953      3.35017933    -12.96766395
  O     11.06616956      9.41609807    -10.84798570
  H     12.91389251      6.73016893    -15.93495297
  H     12.27812092      5.99175641    -12.25618208
  O     16.65219866      6.30548002    -11.74363741
  H     11.93368595      9.07975448    -10.57260604
  H     13.72419515      5.54949464    -11.98271459
  O     14.17803290      3.79135262    -11.18255497
  H     10.73285993      9.93612567    -10.12042004
  H      9.57796586      8.60946625    -15.77660909
  O     17.35350887      8.38175359    -15.69989451
  H     16.33628870      7.21799709    -11.68162464
  H     10.81500220      7.78825422    -15.34494456
  O     11.72237718     10.24046887    -13.52547828
  H     16.49886176      5.88209668    -10.89122401
  H     18.38623793      6.72719191    -12.32697154
  O     16.21953087      5.23724693    -14.30549268
  H     14.88762170      4.03716389    -10.57732428
  H     18.93732212      8.02510211    -12.93142652
  O     11.75173608      4.21076375     -9.77135091
  H     13.36198331      3.79621339    -10.66553719
  H     13.17917634      9.24058101    -13.64447093
  O     18.03747022      9.66707818    -13.39235118
  H     17.89488422      7.58267175    -15.71271767
  H     13.56479623      7.77568566    -13.24198446
  O     13.61953704      6.04393317     -8.53611507
  H     16.45424772      8.08588494    -15.88686770
  H     16.51637862      4.68340863     -8.62585718
  O     13.53245961      8.27126199    -10.26167626
  H     11.42891813     10.09746773    -12.61742573
  H     15.17759008      5.38200509     -8.97257045
  O     14.13316965      3.40753383    -13.93201847
  H     11.12361247      9.73130427    -14.08877155
  H     16.62723975      9.33732703    -12.17683500
  O     13.18241171      6.32079460    -12.18335454
  H     17.08627734      5.31938675    -14.72150765
  H     15.16738798      8.93123220    -12.45809249
  O     10.15240808      8.43277542    -15.03671277
  H     16.31995418      5.57998289    -13.40583794
  H     19.57695745      5.52559796    -15.60562965
  O     19.14235802      7.08942531    -12.80908105
  H     11.15925428      3.62502542     -9.30679813
  H     19.03574918      6.30470550    -14.38153306
  O     13.89964324      8.59493049    -13.63466182
  H     11.29707318      4.47350331    -10.59049486
  H     10.06588738      8.12126099    -11.85071881
  O     15.97796000      4.97947484     -9.35455147
  H     17.75094561      9.27454994    -14.23695409
  H      9.74341836      7.80133578    -13.32894196
  O     15.83600680      8.98139426    -11.75496272
  H     18.43766837     10.50609198    -13.60467425
  H     15.21395230      6.43624390    -15.32113988
  O     18.79454791      5.93874338    -15.25162923
  H     12.89995861      5.49945521     -8.87886497
  H     14.47723359      7.77721675    -15.09007387
  O      9.66873879      7.45894459    -12.42845127
  H     13.54480315      6.90579235     -8.96704333
  H     11.26959372      3.30268682    -15.20184080
  O     14.76453280      7.15887598    -15.78135587
  H     13.37843396      7.54994227    -10.89360152
  H     12.52306032      3.76256342    -14.42045670
  O     11.60344035      3.99862240    -14.64171392
  H     14.35519550      8.68773186    -10.54696698
  H     10.88288343      4.60766077    -13.03819549
  O     10.71064112      4.98955010    -12.16809457
  H     14.88376154      3.95847176    -14.19039201
  H     10.21180595      5.81566236    -12.27597427
          69
 Energy    -249.01929860963781     
  O     14.71796764      5.09818911     -9.03271159
  H     14.61588651      5.97955521     -8.65699555
  H     16.62181085      9.77728379    -12.68688276
  O     15.28004473      7.20211801    -16.61548596
  H     15.61215300      5.08605805     -9.40147494
  H     13.73582789      7.77491169    -11.63184487
  O     17.70607000      9.20553758    -13.98721174
  H     14.96310610      6.75854650    -17.39851315
  H     14.96027343      8.50379735    -12.23949783
  O     13.94197930     11.61643855    -12.76090724
  H     14.50205360      7.37843379    -16.06091847
  H     13.67574923      4.70588839    -10.46874519
  O     10.72026701      7.90047351    -13.58872116
  H     17.52849374      8.27318206    -14.17919106
  H     13.99793463      4.64888110    -11.96607900
  O     19.88246925      5.39400968    -10.98781137
  H     18.61946298      9.25781963    -13.67837730
  H     21.06261728      9.56177910    -12.91177564
  O     16.88301426      8.31145001     -9.82776267
  H     13.92890130     11.31518262    -13.68879231
  H     20.07553952      8.80953056    -11.98540229
  O     11.72373742     10.05374896    -11.82998861
  H     13.88864820     12.56829607    -12.77775731
  H     15.17302321      6.20249784    -12.58848447
  O     19.80874625      6.26326995    -13.55813742
  H      9.80510274      7.91635041    -13.85986529
  H     16.22928487      5.30202499    -11.91811595
  O     13.90896630     10.59831133    -15.23161818
  H     10.79488962      7.21697475    -12.90369387
  H     16.06500787      9.01371330    -16.61579859
  O     13.22114308      7.85352606    -14.87744708
  H     19.87065495      5.62181108    -11.93501070
  H     16.90774406      9.79069024    -15.59248771
  O     16.02364080      9.90883677    -11.93544813
  H     20.57383159      4.74924337    -10.86696732
  H     16.63753189      6.66797425    -15.42273922
  O     14.34915226      7.76758541    -12.37512801
  H     16.61661290      8.93714797    -10.51639363
  H     16.69892583      6.03294525    -14.01055019
  O     13.26538534      4.61071733    -11.34183743
  H     16.13291958      8.23003981     -9.22578054
  H     19.80857965      7.24485953    -10.44934881
  O     20.27186067      9.02980759    -12.91398941
  H     11.40582882      9.51233187    -12.56105939
  H     18.75493115      8.31367428    -10.08366277
  O     15.66317953      5.37252240    -12.70012565
  H     12.44001248     10.60451529    -12.17037719
  H     10.31407051      5.48679057    -11.13409455
  O     16.33478542      9.90461828    -16.36285121
  H     18.97384350      6.26046590    -14.04417037
  H     11.80822802      5.46054023    -11.52706934
  O     17.21294972      6.53490849    -14.66023508
  H     20.07008649      7.18906359    -13.47890918
  H     17.07923759      6.51340214    -10.22248804
  O     19.65809270      8.19759424    -10.40597661
  H     14.75936781     10.51549649    -15.68727959
  H     18.09669837      5.37965739    -10.51567609
  O     11.00307494      6.01224179    -11.53245542
  H     13.55777187      9.70159147    -15.18341913
  H     13.76759278      7.99154402     -8.96305525
  O     17.16023801      5.56008262    -10.37082685
  H     13.68241036      7.81891519    -14.02475140
  H     14.20633775      8.26610868     -7.50648092
  O     14.50618351      7.90368753     -8.33653361
  H     12.28498619      7.81364351    -14.65209483
  H     11.93496140      7.31435373    -10.48661604
  O     12.51801538      8.03034888    -10.21004341
  H     15.38179858     10.59108100    -12.16817323
  H     12.21132155      8.83493895    -10.65831967
          69
 Energy    -249.01866756383328     
  O      0.79366463      0.25620541      2.58672409
  H      1.33265298      0.03657316      1.81390212
  H     -2.87336534      4.70664535      1.42428270
  O     -2.90585523      0.11797311     -3.41346542
  H     -0.11898971      0.30953627      2.26671543
  H      0.85993737      3.51706524      2.01440090
  O     -0.54457011     -1.10370730      4.66719139
  H     -2.67352739     -0.81891551     -3.40520762
  H     -0.39432642      3.95198542      1.23572716
  O     -4.50614366      0.02509328     -1.15974754
  H     -2.13426901      0.57671094     -3.05617648
  H     -3.48951549      1.36238055     -0.45367167
  O     -2.24554344     -2.63642283     -2.84472997
  H      0.04753650     -0.66643067      4.03951641
  H     -2.02059867      1.73706877     -0.77230019
  O     -0.10514740     -1.58367570     -1.25742578
  H     -1.33713288     -0.55722385      4.72158579
  H     -2.32958012      0.26076045      2.57176862
  O     -3.84250029     -2.30085928      3.63825680
  H     -4.11686335      0.14882173     -2.03770720
  H     -2.17718189      0.77146704      1.10250893
  O      1.19919715      2.71072604      3.68291971
  H     -4.22477182     -0.85497189     -0.87624837
  H     -2.86802041     -2.61266695      0.07619723
  O     -0.72521519      1.10006844     -1.83795108
  H     -2.38905203     -3.42117122     -3.36814984
  H     -4.39820635     -2.80294373      0.14407277
  O     -5.51603315      1.11973080      3.48970419
  H     -2.82564707     -2.71028371     -2.06871018
  H      1.44146062     -0.74382718     -0.40727162
  O     -3.00660861      0.44700417      4.26085894
  H     -0.65580112     -1.99186433     -1.93579621
  H      1.95664585      0.70055582     -0.25642410
  O     -2.26779915      3.98143904      1.55684615
  H     -0.43056841     -1.93914440     -0.41699961
  H     -1.91069435      3.22733214      3.27283268
  O      0.54954685      3.77911135      1.13862054
  H     -3.02030345     -2.80457356      3.68198216
  H     -0.66574568      2.82262454      4.08220987
  O     -2.75438727      1.92043745     -0.16659580
  H     -3.63328590     -1.41825101      3.96173065
  H      2.20949157      2.99968674     -1.41479840
  O     -1.84176332      0.13867292      1.74739640
  H      1.13855772      1.80795597      3.32343901
  H      1.22441716      2.94655163     -0.22303456
  O     -3.67306162     -2.61111942     -0.46330354
  H      1.93623644      2.71960449      4.28748371
  H     -0.92378983     -2.69511085      4.07797092
  O      1.98626102     -0.17508704      0.14997526
  H     -0.50934878      0.18547081     -1.60657843
  H     -0.88325234     -4.24186438      4.13182297
  O     -1.62900882      2.77715102      4.07935861
  H      0.06939419      1.62048877     -1.66692794
  H     -1.56421706     -1.52838044      1.31675856
  O      1.57551956      2.43868043     -0.97629108
  H     -5.76959987      0.73905027      2.63225343
  H     -1.24526812     -2.94516270      1.85956743
  O     -1.25409964     -3.50698189      3.65166130
  H     -6.29930624      1.54034437      3.83387890
  H     -6.19370713     -3.47586255      1.90576522
  O     -1.37145750     -2.44193400      1.04815579
  H     -3.92644656      0.68738718      4.06416377
  H     -4.96370041     -2.65125268      2.35491959
  O     -5.55545730     -2.83548669      1.60300595
  H     -2.51821790      1.28447078      4.32543097
  H     -6.07146186     -1.03054224      1.27719439
  O     -6.15792012     -0.08132453      1.12468767
  H     -2.52290170      3.28719142      0.92606330
  H     -5.73243382      0.08616266      0.27464750
          69
 Energy    -249.01863092961128     
  O     15.98298720     11.19469690    -10.18540719
  H     16.01882567     10.33682744     -9.74876784
  H     14.41721689      7.60927836    -14.10941697
  O     12.66768661      6.01750880    -11.73123231
  H     16.38692863     11.06699323    -11.05592836
  H     16.50286296      4.89454473    -15.19745487
  O     16.61962867     10.84246560    -12.88157691
  H     12.87405499      6.76709708    -11.15516347
  H     15.27747105      5.66847200    -14.62453067
  O     17.62259778      9.22713621    -14.85237179
  H     13.46243077      5.47187327    -11.75513141
  H     18.76692070      6.53877951    -13.95790475
  O     14.83639343     12.80731920    -13.83177000
  H     17.11263615     10.39323956    -13.58147668
  H     17.27119112      6.20199446    -13.78444006
  O     13.44009885      8.31436387    -10.36314968
  H     16.12233664     11.56385221    -13.28900969
  H     14.38814664      8.60148131    -11.95846914
  O     15.37085157      8.83066439    -16.51220725
  H     17.70815950      8.41166942    -14.33679234
  H     15.33504560      9.51452438    -12.80840118
  O     13.76809022     10.89660028    -15.64633949
  H     16.84108612      9.13187729    -15.41393364
  H     15.26384227      3.66570732    -11.56346446
  O     17.61867346      5.08575845    -16.57977456
  H     14.40359719     12.72391097    -12.96191922
  H     15.44542380      4.62441040    -12.76074467
  O     11.47279417      6.85850639    -13.99769779
  H     14.99863365     13.73685139    -13.96884313
  H     13.04230598      9.44138955    -13.42196162
  O     16.76590801      6.75694406    -10.91220523
  H     12.88684188      9.10422605    -10.39867246
  H     11.73677294      8.73450656    -13.83910967
  O     14.15363967      7.01506110    -14.83200228
  H     14.18496911      8.47432257     -9.76931625
  H     16.27632568      7.91812883     -9.72064801
  O     15.96962062      5.02806317    -14.40041352
  H     14.84833179      9.62794512    -16.34148849
  H     16.28197772      8.33841874     -8.23150869
  O     17.96584468      6.80740322    -13.48991348
  H     14.91922772      8.11485220    -16.04277324
  H     19.91452183      6.90129324    -15.87334722
  O     14.65772074      8.82942610    -12.85653089
  H     13.02923664     10.54269967    -15.13829353
  H     20.92790638      5.86412984    -15.33254202
  O     15.13816266      4.57049820    -11.83959915
  H     14.13273766     11.60791818    -15.10402777
  H     16.78196235      7.47988926    -19.09133528
  O     12.11270728      9.60365785    -13.65082436
  H     17.40382118      5.81067744    -17.17958203
  H     16.43193798      7.96781909    -17.66966537
  O     15.90446828      8.55199054     -9.08044655
  H     18.48663504      5.29588995    -16.21347431
  H     13.05004493     11.84827066    -11.19891364
  O     20.00603280      6.10548990    -15.31894302
  H     11.84169982      6.51738196    -13.16107966
  H     14.53890535     12.05791136    -10.84386679
  O     17.06036171      7.43033756    -18.18011720
  H     10.71459983      6.32069645    -14.20673918
  H     18.74013288      8.03517985    -17.43426588
  O     13.80689008     12.41792225    -11.36872287
  H     17.29732590      6.89211570    -11.70643828
  H     18.94379063      8.81286003    -16.13210703
  O     19.41971533      8.30376523    -16.80345251
  H     16.19710736      6.00287117    -11.10728902
  H     11.73543191     10.22237813    -11.99803166
  O     11.72249237     10.47566065    -11.05956882
  H     13.20619191      6.87148446    -14.72912326
  H     10.81611619     10.67644269    -10.83976054
          69
 Energy    -249.01861751599381     
  O     15.31978628      8.98206630    -15.77594209
  H     14.41903429      8.62601262    -15.82367035
  H     20.34173462      4.16991451    -16.12640650
  O     13.86376602      2.79827849    -15.82333174
  H     15.70827173      8.59401233    -14.98738171
  H     18.86423667      7.70107653    -15.81305481
  O     19.71489370      4.87149533    -17.55738346
  H     14.68580399      2.55772278    -16.28917032
  H     18.09743618      7.87084118    -17.16910203
  O     17.46254128      3.95205229    -19.03926786
  H     13.22968418      2.11150692    -16.01042454
  H     17.16979219      4.61997479    -15.44664611
  O     13.49127385      6.75573002    -10.35363792
  H     18.99562033      4.50401128    -18.08539505
  H     17.43282114      6.03330338    -16.03983678
  O     14.48128563      4.01230094    -13.32962281
  H     19.45994704      5.78066392    -17.34647101
  H     13.28944881      6.84016192    -16.22654722
  O     16.40955548      7.35602245    -13.56356188
  H     17.53479339      3.65325943    -19.94256040
  H     12.95951157      7.32611615    -14.81238164
  O     17.93541484      2.89953708    -14.99394757
  H     16.91563855      4.75752264    -19.05822569
  H     15.75522784      4.04045600     -9.98960241
  O     14.08526376      3.95217998    -10.51741233
  H     14.45472987      6.89973538    -10.38212205
  H     16.94080100      3.80536109     -9.01903199
  O     19.06749756      8.09613523    -13.96063510
  H     13.13703443      7.36575266     -9.71262985
  H     15.15589506      5.47317120    -16.38850683
  O     16.21216956      2.29305202    -17.05282676
  H     14.23878919      3.55828631    -14.14524054
  H     13.96293360      4.52724207    -16.60122120
  O     20.58019520      3.78856898    -15.26091726
  H     14.12268278      4.90958802    -13.37692646
  H     19.93850680      4.95521966    -13.91509898
  O     18.66911759      7.28091523    -16.65943004
  H     16.47415724      6.61015282    -14.18090106
  H     18.68370566      5.03565489    -13.01572780
  O     16.77973467      5.49151475    -15.57731381
  H     17.27659498      7.78187025    -13.58676531
  H     17.15499699      3.93023873    -11.61306894
  O     12.93927506      7.59920047    -15.73861976
  H     17.71087885      3.08165370    -14.07087922
  H     16.25102877      4.00817827    -12.86598670
  O     16.70361384      4.21428799     -9.84629214
  H     18.88106607      3.06625219    -15.09221267
  H     16.38767379      6.99479819    -11.61701153
  O     14.29671275      5.40097864    -16.83256589
  H     13.71190631      4.83312795    -10.38744684
  H     16.52473870      6.05957936    -10.38906872
  O     19.46809336      5.52534435    -13.29397099
  H     14.10720051      3.81271679    -11.47396726
  H     16.16326269      7.06142257    -18.76054927
  O     17.17430244      3.95866717    -12.57676252
  H     19.68070314      8.67442015    -13.51591953
  H     15.19766463      5.92415709    -18.36079086
  O     16.19174399      6.91922824    -10.67625254
  H     19.28182597      7.18400880    -13.68543093
  H     13.44797046      6.77720615    -12.22384463
  O     15.89712088      6.16312065    -18.98542362
  H     16.58552198      2.81353800    -17.77353316
  H     14.57056619      7.04941582    -13.25533169
  O     13.67858073      6.68939860    -13.15715632
  H     16.85597730      2.34612792    -16.33119756
  H     16.19640983      8.88469102    -17.24784598
  O     16.74925828      8.74837449    -18.03933382
  H     21.42546694      3.36215075    -15.36849851
  H     16.70442854      9.55225223    -18.54943979
          69
 Energy    -249.01859113752045     
  O     11.58426679     11.34139373    -11.90819633
  H     12.49529255     11.52448415    -12.16331577
  H     17.95519293      4.45089504    -16.01255876
  O     13.30027750      7.47570201    -15.03699881
  H     11.10789850     11.15441410    -12.72816667
  H     17.23726220     10.97735877    -14.28558752
  O     14.74746866      9.37579511    -11.22728753
  H     13.00881652      6.90818668    -14.31175033
  H     17.39043755     12.51025354    -14.41531464
  O     18.36006020      7.94473334    -16.53123456
  H     13.80142156      6.95837555    -15.68666798
  H     15.21065063      8.45457964    -12.72769619
  O     12.91122501     10.16878070    -15.11488852
  H     15.59741033      9.29548951    -10.77554499
  H     14.79049764      7.90632080    -14.12535157
  O     15.13409783      6.21508200     -9.79416889
  H     14.69257305     10.19796989    -11.73256433
  H      9.92967413      9.68124904     -9.76143043
  O     12.58596725      6.16295248    -12.67137893
  H     17.65738367      8.22610707    -17.13172313
  H     10.95870183     10.09128527    -10.84205279
  O     16.08127276      8.69225029    -18.06339509
  H     18.18372248      7.01414984    -16.34610157
  H     18.14437131      6.79651989    -12.40678798
  O     14.74501410      4.42468221    -11.79442963
  H     13.01546639      9.20469564    -15.13736989
  H     18.52696966      8.24317269    -12.77786100
  O     17.87635736      9.33137372    -14.22115740
  H     11.97460830     10.33135642    -14.95545686
  H     10.28217738      8.30745094    -11.98136246
  O     15.01747098      6.36059500    -16.82377102
  H     15.81318724      6.89834825     -9.78912546
  H     10.90882558      7.24658733    -12.91258373
  O     17.50652982      5.28060653    -15.87137667
  H     14.28500620      6.68007980     -9.79860722
  H     16.37050168      6.50867051    -13.35822427
  O     16.74298689     11.81237020    -14.35645369
  H     12.63918013      6.70869639    -11.87234917
  H     16.18966626      5.09266856    -12.77834459
  O     15.54442885      8.06318971    -13.54418565
  H     13.21769554      5.45029220    -12.52396114
  H     17.63663471      8.14409911    -10.68008603
  O     10.56768328      9.33020482    -10.37637164
  H     15.76580205      9.45920715    -17.55345827
  H     17.60715689      8.67483533     -9.22853728
  O     18.55300043      7.59887085    -12.05803236
  H     16.02922502      8.93746641    -18.98340862
  H     15.74888548     11.20937642    -15.91720413
  O     10.26853775      7.96527788    -12.88501905
  H     14.91697204      5.01613851    -11.03861389
  H     14.33886662     10.64295667    -16.17800631
  O     16.81812897      5.65424443    -13.24678708
  H     14.62620394      3.54969463    -11.43400945
  H     12.01360134      8.18799861    -10.18161098
  O     17.04744579      8.43762566     -9.96305608
  H     17.02303939      8.91870327    -14.01290077
  H     13.47880351      8.34953397    -10.64823643
  O     15.20258622     10.78688047    -16.58856296
  H     18.17776511      8.91758779    -15.04377711
  H     15.11599298     11.69564308    -13.39101492
  O     12.82606182      7.69642081    -10.34519466
  H     15.32743102      7.13239760    -17.31648034
  H     13.80523932     10.95604041    -13.72697078
  O     14.27563536     11.41139154    -13.01164037
  H     15.81403808      5.89319309    -16.54752063
  H     10.23688780      9.44442164    -13.83940094
  O     10.26549628     10.33302915    -14.23765342
  H     17.31596538      5.33790190    -14.92016317
  H      9.41906298     10.47752855    -14.65135735
          69
 Energy    -249.01828434969610     
  O     13.69432923     13.65827502    -14.37996232
  H     14.40756335     14.00055637    -14.93034669
  H     14.45840303      6.67273788    -14.72245125
  O     17.59257237      6.89011625    -14.04227662
  H     13.39239341     12.84465194    -14.80492496
  H     17.09851664     10.64686172    -14.68640403
  O     19.26953937     11.27985353    -11.98355579
  H     17.42681286      7.22303272    -14.93182406
  H     18.43208907     11.12770490    -15.31378328
  O     17.69514680     13.95678941    -13.88326727
  H     16.84936790      6.30826666    -13.83964375
  H     15.56276341      9.64786797    -19.59109325
  O     15.16933320      5.47309206    -13.46560557
  H     18.53668766     11.79383495    -11.63130755
  H     15.45163183     10.33702316    -18.21271082
  O     15.80960234     10.76571388     -9.71222452
  H     18.99144396     10.35258589    -11.95507429
  H     16.86227236      9.82401254    -12.75490415
  O     14.57202243      7.22066195    -11.49766706
  H     18.45345722     13.45457609    -14.20482148
  H     16.32896565     11.28507449    -12.64182204
  O     13.99120563     13.64295016    -11.69976998
  H     17.12935392     14.12283305    -14.64628345
  H     12.95993210     10.46344277    -16.16490102
  O     12.93069716      8.98462272    -17.22019611
  H     14.94459814      6.02782561    -12.69619306
  H     13.34647340     10.62568558    -14.68355342
  O     16.59452726      8.19678077     -9.76257377
  H     14.94502784      4.57574197    -13.23642153
  H     17.68059764      8.42693736    -11.25226842
  O     16.69527846      8.23764182    -16.43359994
  H     16.25204139     11.49150488    -10.16121899
  H     18.01658920      8.03218069    -12.73305913
  O     14.26748592      7.47114117    -15.22967664
  H     14.89256994     10.78680832    -10.02831026
  H     15.76920565     13.13703478    -11.55222283
  O     17.59620057     10.69376250    -15.51806131
  H     15.22046688      7.52710885    -10.85163303
  H     17.06368779     13.28051775    -12.38603657
  O     15.39539535      9.48049877    -18.66680209
  H     14.19668797      8.00694680    -11.90746446
  H     20.72576643     12.22467336    -14.67285262
  O     16.25747468     10.46847296    -13.15165427
  H     13.85347193     13.68508643    -12.66298125
  H     19.69960433     11.79208695    -13.59859398
  O     13.24764708     11.11589761    -15.50886613
  H     13.55675088     14.40429589    -11.32416663
  H     16.31130139     11.38871989    -16.51168676
  O     18.09928974      8.73186071    -12.06720960
  H     13.22645959      8.32522376    -16.57711885
  H     14.75284199     11.51157469    -16.46699650
  O     16.66761982     12.79123715    -11.64595998
  H     13.64700075      9.05341834    -17.86187467
  H     13.41749197     11.89851872    -11.20832242
  O     19.79330514     12.10340163    -14.51746169
  H     16.32968511      9.13114379     -9.67438754
  H     13.26908524     10.45490441    -11.73842304
  O     15.53766031     11.71559284    -16.99792692
  H     16.80498553      7.88517347     -8.88669869
  H     15.89226858     14.97361305    -16.78417582
  O     13.33722526     10.97671599    -10.93051674
  H     16.33377557      8.46187525    -17.29910185
  H     15.79401106     13.45005161    -16.54268005
  O     15.90292469     14.30749847    -16.10081059
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  H     13.83312975      8.70163837    -13.94711322
  O     13.77405429      9.40965911    -13.28974681
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  H     14.66435193      9.79459758    -13.22044145
          69
 Energy    -249.01815364923260     
  O      1.36199532     10.88290898      1.23017551
  H      1.65071452     10.06903106      0.79299878
  H      1.41407484      3.34475122      2.16894744
  O     -0.29202471      9.10989400     -1.65776726
  H      0.57385206     11.16759892      0.75136385
  H      0.21990794      5.54572066     -4.02364425
  O      0.50527819      9.84080777      3.59008370
  H     -0.64883214      9.92119324     -1.27578201
  H     -0.04459013      4.84622155     -5.37513823
  O     -2.01027383      9.88557320      2.19782437
  H      0.40772178      8.82653805     -1.04924643
  H      0.89800531      3.31415926     -3.52348231
  O      1.69933130      8.32771198      0.12084304
  H      0.87968157     10.28899167      2.81012335
  H      0.56945382      2.07646280     -2.65705309
  O     -2.18775358      7.21032778     -0.94866351
  H      0.85402978     10.28299632      4.35881492
  H      0.59491094      5.48812349      2.83875730
  O     -2.29084741      7.09271982      1.79173568
  H     -1.25892855      9.91279387      2.80318115
  H     -0.45346787      4.36519235      2.70383493
  O     -0.70866840      4.91687598     -0.64441350
  H     -2.27314802      8.95791626      2.14741051
  H     -5.50071447      4.00002482      1.00187633
  O     -2.00975458      4.15327848      1.67493018
  H      2.26046647      7.71531440     -0.36891256
  H     -4.49306335      4.45487828     -0.07025877
  O     -0.70036713      1.73704809      0.69595808
  H      1.31596466      7.85276586      0.87158676
  H     -1.45852005      4.02126545     -3.44205781
  O      0.80231944      6.99842149     -3.26402417
  H     -1.59470442      6.44447412     -0.88927928
  H     -1.80219352      2.76997453     -2.57358794
  O      1.84718062      2.66099127      1.62426753
  H     -1.64463833      7.94095662     -1.26729547
  H      1.84756070      3.54927420     -1.50216704
  O     -0.05730863      4.70620520     -4.43190384
  H     -2.35836240      7.20374683      0.83008590
  H      2.05468111      3.59529639      0.05555555
  O      1.28461257      2.67230251     -2.91416532
  H     -2.42543170      6.15615867      1.96191258
  H     -3.53024353      4.65908437     -2.11790258
  O      0.46422787      4.53808842      2.95432526
  H     -1.14475036      4.44270923     -1.36610487
  H     -3.61014528      6.05084354     -1.46444869
  O     -4.56969195      4.02937573      0.80108489
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  H      0.53962687      8.08218442      2.93376006
  O     -2.05863398      3.68187542     -2.76394093
  H     -2.94404068      4.02862141      1.44695697
  H     -0.49423698      7.23418105      2.15586637
  O      2.00810091      4.13330807     -0.74376437
  H     -1.54937066      4.44242384      0.87017303
  H      3.94972145      6.40526487     -1.78153902
  O     -4.11192314      5.23763024     -1.60669918
  H     -1.26599484      2.40073868      1.10629891
  H      2.73160891      5.63539005     -1.21372588
  O      0.44443512      7.29254536      2.38579076
  H      0.19224019      1.92359958      1.01225443
  H     -1.26098068      0.31480771     -2.06984871
  O      3.03791453      6.50645444     -1.52148814
  H      0.36107700      7.77244726     -2.89464641
  H     -0.89891967      1.36751015     -0.99686252
  O     -0.98285721      1.21955150     -1.95572002
  H      1.60801177      6.87855932     -2.74688377
  H     -1.56695406     10.76004588      0.73223774
  O     -1.20394636     11.23328220     -0.03768016
  H      2.45621829      2.19779613      2.19244534
  H     -1.74710188     12.00680409     -0.16311841
          69
 Energy    -249.01795842190830     
  O     11.45764706     10.50117296    -13.83247601
  H     11.88787213     10.20787753    -14.64749466
  H     19.89476719      7.70722024    -13.62304901
  O     16.58474743      7.27163186    -14.16711082
  H     11.88527641     11.33106818    -13.59145428
  H     15.54941634     12.64143216    -15.20494672
  O     17.25277332     11.04616531    -11.17318975
  H     17.46444746      7.46110441    -13.82088255
  H     14.37805025     12.60627146    -16.19518607
  O     17.03086174     11.52268886    -15.12286539
  H     16.05957550      6.89712293    -13.44550908
  H     15.64245971      8.81986316    -14.21301006
  O     13.04313297      6.84540492    -16.48769466
  H     16.30644645     11.09200246    -11.36223007
  H     15.78375439     10.32962104    -14.55809177
  O     15.33282036      7.69083390     -8.72762466
  H     17.34781259     10.54455078    -10.35468134
  H     10.36551468      8.20007423    -11.99254100
  O     14.96679351      6.44230709    -12.09797876
  H     17.05314986     11.04064151    -15.96748143
  H     11.30894156      9.11533140    -12.80796834
  O     14.55150681     10.92774459    -11.88426886
  H     17.78991982     11.26723017    -14.59032606
  H     18.78338054      7.49779558    -11.33648535
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  H     12.55781929      6.18460437    -16.97371405
  H     17.97208188      6.63063670    -10.33347595
  O     16.46067153      5.53025699     -9.90739691
  H     12.93880594      6.62998401    -15.54300103
  H     12.17249763      7.01003407    -13.34201201
  O     15.84597618      7.49112390    -16.87402495
  H     16.02411467      8.36399208     -8.69676339
  H     13.50957040      6.24988245    -13.27328850
  O     19.11513584      7.99064046    -13.15002713
  H     14.65363773      8.02591705     -9.32948229
  H     19.69862903     11.39129321    -13.05557698
  O     14.64923850     12.96694556    -15.34253795
  H     14.55816623      7.20740399    -11.66739521
  H     18.36310677     10.89520541    -12.44821078
  O     15.17355837      9.66371011    -14.21135191
  H     15.46059754      5.97571702    -11.41353097
  H     18.19530739      9.57099418     -8.16874420
  O     11.27218286      8.30509336    -12.26819125
  H     14.74771046     10.42916583    -12.69484513
  H     18.04652789      8.67387913     -9.42199478
  O     18.61258289      7.35012894    -10.39915811
  H     14.00019227     11.66789056    -12.16189333
  H     13.56810593     10.78458945    -17.13646708
  O     12.74095415      6.40676471    -13.83597451
  H     15.75591455     10.58667733    -17.67003563
  H     13.42449813     11.59975365    -18.44249315
  O     18.99562759     10.75872285    -13.17963561
  H     16.34681684      9.20800516    -17.29222930
  H     12.77776395      8.44307951    -11.18546351
  O     17.62534810      9.38966151     -8.91170062
  H     16.03552367      6.24597198     -9.39851287
  H     13.96272103      9.43216605    -11.07590859
  O     13.99078653     11.46630426    -17.68696172
  H     16.43824473      4.75004942     -9.36038442
  H     12.67574326     13.72844020    -13.00969756
  O     13.65541946      8.55678046    -10.80007258
  H     16.18781874      7.29476297    -15.99127896
  H     13.57069568     12.92558092    -13.98112383
  O     12.98066873     12.84767560    -13.20941055
  H     14.92081595      7.22278085    -16.85014265
  H     13.77941299      9.60404335    -15.34114121
  O     13.02918787      9.57982753    -15.95644898
  H     19.10251715      8.96062842    -13.18719519
  H     12.93425416      8.66094764    -16.23579733
          69
 Energy    -249.01787444495011     
  O     14.77438044     11.25559578     -8.59152612
  H     14.81593520     11.08662334     -7.65328648
  H     11.24408919     13.42291120    -12.14780247
  O     10.69204088     10.78896255    -14.23157679
  H     13.83312411     11.33340018     -8.81837638
  H     14.94816789     13.45497929    -15.68830951
  O     15.17516107      9.29231408    -10.65206943
  H     10.65511951     11.59530326    -13.69421937
  H     16.47187524     13.29587809    -15.68921603
  O     17.69759549     14.07716799    -14.42452616
  H     10.69795445     11.06195919    -15.15756346
  H     13.29157937     14.41507220    -10.80225227
  O     12.18862967     11.41410915     -9.54291311
  H     14.24662156      9.05005541    -10.75870327
  H     13.29512071     13.15404566    -11.67845114
  O     12.40524655      9.14910404    -11.20557753
  H     15.18956520      9.92935124     -9.92832081
  H     10.66271521     13.91272456    -14.32998368
  O     13.24672576      9.87598586    -13.67613753
  H     17.54077710     13.41654004    -13.72628936
  H     10.93095448     13.44552750    -15.78147708
  O     14.83873071     15.51152552    -10.62501219
  H     18.63785368     14.23408789    -14.44914893
  H     15.19488748     12.32455649    -12.76851474
  O      9.74665970      9.09276051    -12.23216106
  H     12.32990929     12.22922866    -10.04862368
  H     13.93793389     11.45903772    -13.11453298
  O     13.71262460     14.33165003    -14.73673027
  H     12.26832535     10.66370161    -10.15042412
  H     10.57495631     11.74547278    -17.63811119
  O     13.69364211     11.29076580    -17.28026866
  H     11.48345110      8.92986923    -11.38024529
  H     11.97981150     11.62777646    -17.00756580
  O     10.49114614     13.05281735    -12.62716387
  H     12.78036429      9.35662481    -12.07725317
  H     16.21566528      9.37630061    -12.05076799
  O     15.66483544     12.90550021    -16.04245203
  H     13.92360117      9.87282150    -14.36538436
  H     17.46896526      8.78815799    -12.73532833
  O     12.74278200     13.66940839    -11.06753281
  H     12.40190322     10.17203068    -14.04181338
  H     15.61664859     11.07507773    -15.45008313
  O     11.00532886     14.20087526    -15.18650291
  H     14.90657105     16.37088949    -10.21771288
  H     16.01387411      9.89068562    -14.52015648
  O     14.23670840     12.34462110    -12.87641144
  H     15.13176969     15.61793626    -11.54823136
  H     16.89933927     12.53537021    -11.60192472
  O     11.04155353     11.78729240    -16.80713252
  H     10.00867473      9.61451759    -13.00875045
  H     17.10494494     11.29406821    -12.55336752
  O     16.82042063      9.48407148    -12.80689673
  H      9.09111779      8.46740362    -12.53101494
  H     10.23974099     11.44447423    -10.04089122
  O     15.46005482     10.13648025    -15.27143360
  H     13.81448990     13.62807128    -14.07818553
  H      9.42713510     10.59882312    -11.03881910
  O     17.04405403     12.25593771    -12.52088567
  H     12.77034891     14.40388958    -14.93703156
  H     14.87833257     15.40673893    -13.79171597
  O      9.45888874     11.46137325    -10.60725607
  H     14.32394612     12.00499729    -17.11597574
  H     16.39773433     15.30064159    -13.61354114
  O     15.60835655     15.69083549    -13.22318145
  H     14.12136122     10.52632998    -16.88204622
  H     15.83855930     13.95771722    -10.15543369
  O     16.33353575     13.13365722    -10.06611558
  H      9.95762388     12.60543887    -11.95453177
  H     15.80479292     12.54794214     -9.51105387
          69
 Energy    -249.01759649951651     
  O     14.84734476      8.56537205     -9.53875301
  H     15.24865749      9.42292792     -9.77245703
  H     13.64067351      6.41601159    -15.38323701
  O     16.14480409      4.96131823    -12.95590444
  H     14.55081215      8.63754322     -8.63523566
  H     19.27894214      6.69008103    -16.67259572
  O     14.97723471     12.67178588    -12.22431016
  H     16.31978701      4.77583407    -13.89286105
  H     18.83926993      6.89740408    -15.20433415
  O     17.19498197     11.63255201    -13.75730521
  H     16.97977800      4.94836008    -12.47399843
  H     14.68182245     10.75037381    -14.94608003
  O     10.87593097      7.97830589    -15.56167787
  H     14.36297229     12.08230516    -12.69410905
  H     15.63337857      9.90993631    -15.85604209
  O     17.47267199      7.50073601    -10.19626437
  H     14.58151272     13.53929094    -12.22272012
  H     15.98992356      6.77253734    -13.17277434
  O     12.58242883      6.56716766    -13.86077491
  H     16.58248430     12.14759026    -13.21891061
  H     16.00850151      7.89892133    -14.25838209
  O     13.41957601     10.83093267    -13.54097138
  H     16.69779015     11.41997821    -14.55792492
  H     19.08771546      4.86330798    -10.95778821
  O     13.00025457     10.35941539    -17.31644566
  H     11.27612148      7.80694069    -16.42247736
  H     18.13735745      6.08587443    -10.95729427
  O     16.44472460      4.76395523    -15.65246480
  H     11.35038139      7.41848981    -14.93108184
  H     14.43505630      4.45762442    -12.68859131
  O     16.17219861      8.22387776    -16.02938857
  H     17.75477160      8.23491353    -10.75704518
  H     13.40576493      3.31641919    -12.72800501
  O     14.14439347      6.37458059    -16.20830273
  H     16.57291517      7.71089848     -9.92138511
  H     17.13405357      8.80677526    -12.60604219
  O     18.51416967      6.71497179    -16.10383932
  H     12.76283989      5.70994960    -13.44883564
  H     17.76630885     10.20725994    -12.83289342
  O     15.28965251     10.80269342    -15.69708118
  H     12.82284620      7.23724127    -13.20782081
  H     18.99778401      8.07303511    -13.15831502
  O     15.91221231      7.72526049    -13.31353452
  H     13.43272050     10.03347228    -12.99248272
  H     19.13641577      6.56185299    -12.89607773
  O     18.51489370      5.38208211    -11.51604271
  H     12.59303271     10.82538847    -14.03997221
  H     12.70221663      8.70326847    -17.79795186
  O     13.48349930      4.26540193    -12.66979713
  H     12.32845274     10.59143997    -16.66374485
  H     12.21011538      7.70173956    -18.87005951
  O     17.82947214      9.40681941    -12.28960124
  H     13.84511119     10.60933768    -16.92112471
  H     16.77065223     10.43698939    -11.00162236
  O     19.30011061      7.24777045    -13.55506563
  H     15.63516704      5.19201270    -15.96231102
  H     15.67674297     11.51479108    -10.92553258
  O     12.46416750      7.77151668    -17.95394176
  H     17.17737446      5.33795842    -15.90785826
  H     10.27900583     11.05348873    -15.13341122
  O     16.08642962     10.79797808    -10.42560738
  H     15.46206037      7.58552716    -16.19345977
  H     10.97986878      9.67837928    -15.24215741
  O     11.13557673     10.63531928    -15.14181900
  H     17.01516414      7.77812471    -16.18117667
  H     13.84474394      8.46465210    -11.15631573
  O     13.62810733      8.48605611    -12.09500651
  H     13.57677133      6.74281429    -16.89788444
  H     14.44756003      8.23059360    -12.55141897
          69
 Energy    -249.01749242010686     
  O     -1.36185805      2.21681905     -3.48064950
  H     -1.62607861      2.79596689     -2.74630690
  H     -5.25011536      1.42283566      2.45838259
  O     -5.77315625      3.27973033     -0.03455478
  H     -1.49532585      2.71843703     -4.28185059
  H      0.35996692      2.81427019      1.36926883
  O     -2.31162065     -1.35567755      3.17390399
  H     -6.00883894      2.78642615      0.76196035
  H      1.11897236      2.59263955      2.69807703
  O     -0.44234318     -0.54564206     -0.58143451
  H     -5.05306696      3.86888842      0.21762359
  H      0.80111206      2.66584669     -0.94108162
  O     -3.04605811     -0.13850903     -3.13456270
  H     -2.76135442     -1.67875812      2.36921043
  H      1.64730091      3.63690171     -0.08563596
  O     -3.57287749     -2.10276899      0.93922362
  H     -2.44892367     -2.01292003      3.85008018
  H      3.01020642      0.19920393      0.89798247
  O     -2.32611560     -2.28675167     -1.64089096
  H     -0.25353049     -0.61787069      0.36470316
  H      1.93370430     -0.24248080      1.92625285
  O      0.90394831      1.23046615     -2.09180650
  H     -0.99567882     -1.28330666     -0.86709803
  H      3.00102473      1.54271816      2.71562836
  O      0.05016449     -0.28310263      2.10219249
  H     -2.44458325      0.58911523     -3.32469433
  H      3.46747898      2.43290447      3.89454025
  O      3.37028743      0.87495773     -0.87962200
  H     -3.81783680      0.26708402     -2.71159639
  H     -5.29610882      1.90025102     -1.15257395
  O     -3.50566205      1.13285595      2.60923592
  H     -4.42971736     -1.66897091      0.80789111
  H     -4.03398660      1.06283054     -0.93003232
  O     -6.18640912      1.57859419      2.24701498
  H     -3.20076964     -2.24278473      0.06274695
  H     -2.78422562      2.82252766      2.88202296
  O      0.24997666      2.51806233      2.28385039
  H     -2.35068753     -3.08243227     -2.16540363
  H     -1.36851905      3.36561945      2.68294476
  O      0.73773281      3.41053865     -0.32735842
  H     -2.61041613     -1.55821447     -2.22240712
  H     -5.66441570     -0.17463638     -0.32259005
  O      2.85502529      0.03568386      1.83632444
  H      0.45680885      0.53454224     -1.58126047
  H     -6.16703171     -0.02511171      1.11227995
  O      2.95728764      2.44178236      3.08964235
  H      0.26057423      1.54533774     -2.73691178
  H     -1.81960064      0.65251739     -0.20695961
  O     -4.84816170      1.09807720     -1.45488660
  H     -0.70166211     -0.67148562      2.56629270
  H     -2.25676840      2.14079121     -0.34217209
  O     -2.29082773      3.64373762      2.75406857
  H      0.00285290      0.67792968      2.21370043
  H     -0.93419623      3.81314442     -0.86075000
  O     -5.89769637     -0.68549984      0.46435168
  H      4.02679968      0.49979161     -1.46230510
  H     -2.42393038      4.24668899     -0.65178891
  O     -2.49870871      1.28962102      0.04393105
  H      2.56174289      0.97823552     -1.40635258
  H     -3.06051608      4.51837445      1.46156599
  O     -1.83500100      3.71979082     -1.20700399
  H     -3.14832970      0.31493412      2.97221546
  H     -3.64377754      5.84217248      0.91328421
  O     -3.48421455      4.92953092      0.68674843
  H     -3.17845957      1.18684497      1.69653005
  H      3.34731488      3.24790902      1.38069329
  O      3.36737437      3.46165549      0.43917141
  H     -6.63897212      1.70234658      3.07736251
  H      3.53656683      2.62557517     -0.01355965
          69
 Energy    -249.01741543950578     
  O     -4.36102950      4.59133792     -1.26516934
  H     -4.07970859      5.11139124     -0.49010619
  H     -1.31710192      0.48673049      3.91735946
  O      2.20236632      1.44683315      4.68278838
  H     -5.16671063      4.98703111     -1.58584461
  H     -2.80614844      4.29577692     -2.36399474
  O     -1.07364391      3.40728218      0.64491043
  H      1.26923874      1.20409215      4.60156024
  H     -1.66930770      3.28146232     -2.70814926
  O     -0.98468264      1.64420254     -2.38431663
  H      2.26166947      2.36294390      4.38662543
  H     -3.46146824      1.50864519     -0.44395886
  O      0.76065549     -0.18315395      1.65482799
  H     -1.04644713      4.34035287      0.39913565
  H     -3.97866596      2.99334415     -0.46226664
  O      2.12854849      3.95179984      3.18328454
  H     -1.93915955      3.04680973      0.41306810
  H     -0.90273317     -0.88599447      1.16395267
  O      0.02512291      5.92328238     -2.46100554
  H     -0.23019976      1.59817962     -1.78643901
  H     -2.27749816     -0.83610121      1.86587506
  O     -3.42192436      5.90372737      0.91276616
  H     -1.61401727      0.98385252     -2.06958411
  H     -2.19843062      4.41299373      3.56569422
  O      3.32272230      2.22346109      1.41070534
  H      0.33102744      0.23922760      2.41398712
  H     -3.25097132      5.22153225      4.35636949
  O      1.98312665      4.48121522     -0.99078563
  H      1.65096774     -0.40278785      1.95393577
  H      0.33294376      3.79125196      3.38706617
  O     -0.73704655      6.18830477      0.22176586
  H      2.59147945      3.33586544      2.59230080
  H     -0.79466063      3.50578634      2.36629702
  O     -0.45918115      0.92780768      3.91868076
  H      2.08490247      4.77728987      2.68626646
  H     -3.41270007     -0.76763455     -1.68998856
  O     -1.96527627      4.19737458     -2.82191954
  H     -0.69981044      5.30185767     -2.66233830
  H     -2.54866429     -0.46958001     -0.44001126
  O     -3.58441850      2.30465346      0.08841447
  H      0.15209447      6.46131540     -3.23681536
  H     -3.42161875      0.61840098      3.30602144
  O     -1.84743750     -1.03164402      1.02459766
  H     -2.51455343      6.17426182      0.71305676
  H     -3.58575427     -0.71095900      4.08434132
  O     -3.11297418      4.74220063      3.54285514
  H     -3.40070869      5.53886633      1.80484480
  H     -3.85393746      3.01764394      3.13520649
  O     -0.61703299      3.62955204      3.31252020
  H      2.63533115      2.10493648      0.74514616
  H     -3.98064088      2.18012251      1.84659486
  O     -2.94710837     -0.07123467     -1.23544843
  H      3.46843306      1.35282345      1.80110781
  H      0.92505078      1.05865009      0.29771971
  O     -2.98307701     -0.22292410      3.53019928
  H      1.74551073      3.54939020     -0.94363555
  H      0.27078100      2.43489073      0.05637373
  O     -4.06003806      2.13465350      2.81057803
  H      1.36726602      4.89582582     -1.60940261
  H      3.99869943     -0.80360346      3.20994431
  O      0.97616939      1.84694197     -0.26061937
  H      0.09832662      6.24340854      0.70233464
  H      2.99524343      0.31516162      3.58131884
  O      3.31854169     -0.24172782      2.84980047
  H     -0.51501015      6.22932891     -0.71875115
  H      2.57170247      6.71633788      1.18354742
  O      1.91023122      6.03181257      1.25074737
  H     -0.62207795      1.86940793      3.76502455
  H      2.03414003      5.45058245      0.47790164
          69
 Ord_Energy   -249.017303    
 O   -1.89784217       3.29032087      -2.78727841    
 H   -1.68057489       3.53049564      -1.87417495    
 H   -1.15261090       3.57151341      -3.33238983    
 O    2.22760344     -0.304123998       2.66260886    
 H    1.92622817      -1.20159435       2.46992731    
 H    2.34558630      0.134084269       1.80920768    
 O   0.168403357      0.900330603       3.94366741    
 H   0.371676773       1.13095427       4.84611702    
 H   0.964272439      0.474443346       3.57422328    
 O   -1.32587957      -1.48740184       3.23111987    
 H  -0.957941413     -0.646614373       3.52501297    
 H  -0.567659080      -2.01315999       2.95095563    
 O    3.24432302       3.34604859      -1.00590861    
 H    4.01503134       3.88959599     -0.867940366    
 H    2.48053360       3.94762325      -1.06937540    
 O   -3.52975798      -1.29296970      -2.59470391    
 H   -2.75458574     -0.731013358      -2.73285007    
 H   -3.26841545      -1.98764563      -1.97866952    
 O   -4.25098038      0.779528260      0.754456222    
 H   -4.20982361       1.73657358      0.868729532    
 H   -4.72833729      0.627054691      -7.31919184E-02
 O   -1.36207163       4.01894045     -0.119985998    
 H   -2.27595615       4.01070404      0.188933596    
 H  -0.871015489       3.44901919      0.490322173    
 O    2.24177980       1.96604609      -3.31435752    
 H    2.72864079       2.38384867      -2.59268165    
 H    1.97505200       1.09805059      -2.98860288    
 O   0.989744425      -2.77339339       2.05697155    
 H    1.26824057      -3.68526959       2.04495883    
 H   0.581086159      -2.59069037       1.19356954    
 O    2.13940763       1.10072148      0.211536735    
 H    1.80029380      0.606083333     -0.546346247    
 H    2.62880921       1.85643399     -0.138982922    
 O    1.10745609     -0.317388177      -2.00270367    
 H   0.271336496       3.22294794E-02  -2.34915328    
 H   0.850133121      -1.11122406      -1.51909864    
 O   -4.60294342       3.13476586      -2.02181673    
 H   -4.89454317       2.21643090      -2.08292198    
 H   -3.74593139       3.19130230      -2.46579242    
 O   -3.26890312E-02   2.23786068       1.50445473    
 H   -3.45488600E-02   1.90697920       2.41157746    
 H   0.768113792       1.89985979       1.07697225    
 O   -1.43849099      0.566093802      -2.56209326    
 H   -1.50759220      0.508763015      -1.59502041    
 H   -1.62235868       1.48701620      -2.78344250    
 O   -2.81827188      -3.22677279     -0.605924785    
 H   -3.21049666      -4.09537125     -0.589805961    
 H   -3.12058210      -2.76715994      0.199755624    
 O    1.04220116       4.88517189      -1.37943506    
 H   0.835607588       4.72834158      -2.30953526    
 H   0.218687788       4.74918413     -0.894422829    
 O   0.515878260       3.94726944      -4.04101419    
 H    1.10943687       3.19681072      -3.86047578    
 H   0.754792809       4.28674221      -4.89926481    
 O   -1.55308008      0.350399673      0.161779091    
 H   -2.48191881      0.414221197      0.416817397    
 H   -1.06502461       1.01097798      0.667396128    
 O   -3.56126189      -1.86364889       1.60924697    
 H   -3.95666742     -0.994554937       1.47847140    
 H   -2.82393360      -1.73862088       2.22602177    
 O  -0.293814778      -2.07932615     -0.250403166    
 H  -0.684510291      -1.22663069      -3.92070011E-04
 H   -1.04758060      -2.63796806     -0.477519304    
 O   -4.09416008       3.64153314      0.583046019    
 H   -4.69480467       4.28223228      0.954918265    
 H   -4.34616995       3.52836442     -0.352404356    
 O   -5.43939304      0.419150591      -1.77830648    
 H   -4.79127026     -0.220357776      -2.12402129    
 H   -6.30182838      0.102325849      -2.03273034    
          69
 Energy    -249.01722573080451     
  O     16.94293234     10.42946693    -11.39825046
  H     16.27419857      9.95575240    -11.91246399
  H     13.01979821      9.84830264     -9.76848414
  O     14.91142608      6.71130484     -6.38343267
  H     17.78221180      9.96879713    -11.54733514
  H     19.32933806      4.25061798    -12.42788780
  O     12.65198177      7.34000257     -8.02990025
  H     14.91713158      6.20276316     -5.57672091
  H     18.02802920      5.06778651    -12.61193861
  O     15.16381950      8.68711974    -12.63909039
  H     15.12717833      7.62744539     -6.13341780
  H     16.13656080      7.46522345     -9.03016591
  O     19.33967280      9.06081357    -11.49656393
  H     12.82647444      8.27306692     -8.21449546
  H     15.86155849      6.35572269     -8.00907374
  O     20.52143347     10.81802690     -9.64438801
  H     13.35787725      7.04817269     -7.44196665
  H     19.29505515      8.17769977    -13.12121205
  O     18.80131215      6.76856388     -9.99780294
  H     15.08053003      7.87778150    -12.11440489
  H     19.20590724      6.66975588    -13.38954236
  O     12.13004832      6.53734303    -10.56048802
  H     15.57540173      8.42080997    -13.47100694
  H     16.61612502      7.78232180    -15.76909465
  O     16.01940481     13.14738243     -7.81313966
  H     19.88785905      9.64908846    -10.96416828
  H     17.52545401      7.66109417    -14.52338333
  O     12.62724649      9.25810754    -11.43269853
  H     19.13530815      8.28608788    -10.95100384
  H     16.59894080      9.44223822     -8.40093895
  O     13.93434855     11.53485119     -6.77475487
  H     19.70303702     11.31587883     -9.47916434
  H     16.33440018      9.61570825     -9.92885337
  O     13.38824329      9.93008919     -8.87789364
  H     21.23633007     11.44897965     -9.62053535
  H     17.59380777     11.57331308    -10.04344591
  O     18.93964779      5.10623345    -12.26978002
  H     18.90813107      6.12559951    -10.71080376
  H     17.35798639     12.46581396     -8.79544795
  O     16.23845517      6.50977992     -8.88226609
  H     17.94977363      6.58556319     -9.57833751
  H     14.95092899     10.05215946     -5.98861065
  O     19.12054673      7.53026546    -13.81785691
  H     11.33078084      6.02061890    -10.61070088
  H     16.39999103      9.55000165     -6.08452988
  O     16.59960577      7.64476676    -14.82592902
  H     12.26702948      6.75632442     -9.62083747
  H     15.28634230      6.22301113    -10.41145185
  O     16.00932940      9.19162847     -9.12436813
  H     15.77094791     14.05315148     -7.64197476
  H     13.87240038      6.25095782    -11.06158257
  O     18.02686486     11.94389212     -9.26190520
  H     15.31369257     12.60360954     -7.43458821
  H     20.32154040      9.19554038     -8.54737586
  O     15.51665584      9.30246203     -5.77558407
  H     13.42286640      9.18909915    -11.97582625
  H     19.67604693      7.79320495     -8.64107457
  O     14.81804542      6.25433242    -11.25641344
  H     12.34465679      8.35071404    -11.26381984
  H     17.95340255     10.75672064     -7.72550694
  O     19.95194999      8.47819168     -8.01824274
  H     13.14529735     11.79222447     -6.30427466
  H     18.57501713      9.39070941     -7.33018305
  O     17.82406986      9.98152262     -7.16673627
  H     13.64188667     11.01715411     -7.54618277
  H     15.79824223      5.46516732    -12.57632271
  O     16.42608524      5.22161352    -13.27158498
  H     14.31605691      9.65438963     -8.94453262
  H     16.39491771      5.93963456    -13.91479920
          69
 Energy    -249.01680277304507     
  O     18.50811112      9.98343865    -11.06815672
  H     17.75027588      9.50731763    -10.68858701
  H     14.76960514     10.92456274    -11.66669347
  O     13.46966859      6.77635606     -9.40676647
  H     18.60414949     10.78897362    -10.54676051
  H     19.48321199      3.47072075    -12.56367878
  O     18.55462082     12.05547456     -9.17624475
  H     13.14241755      7.48741162     -9.98776424
  H     18.88281535      4.70009266    -11.84464333
  O     12.73833320      8.71731886    -11.11971231
  H     12.71315187      6.24715406     -9.16782396
  H     14.78138114      6.25787704    -10.69218411
  O     17.44913057      9.43041782    -13.58653706
  H     19.10613878     12.80645665     -8.97398739
  H     15.45410133      6.48619766    -12.10616649
  O     19.91495941      7.68214730    -10.41831454
  H     18.64119486     11.43178172     -8.43152434
  H     20.42616531      5.89192933    -12.91830498
  O     20.05275154      7.85383546     -7.66894782
  H     12.78422033      8.62427566    -12.07850234
  H     20.68832184      7.15205254    -12.07736096
  O     18.13293267      5.48006134    -10.45244332
  H     13.24965912      9.51181743    -10.91279019
  H     15.44141408     10.44893668     -5.71289753
  O     13.27566261      8.54631876    -13.92497311
  H     18.13809321      9.02840564    -14.13084475
  H     15.70176308     10.75074966     -7.20690947
  O     15.74834103     11.91357318     -8.48949359
  H     17.87031245      9.70400030    -12.76009794
  H     19.99075085      7.61088131    -14.26136538
  O     14.99044105     10.85665546    -13.45855412
  H     19.49868075      8.51435284    -10.68619053
  H     20.02056705      8.21658093    -15.68487954
  O     14.64937031     10.72261517    -10.72714978
  H     19.24911582      6.98137239    -10.47760055
  H     16.27889967      8.35125662     -9.18640558
  O     19.27708151      4.39459622    -12.67986137
  H     20.93206606      7.67712469     -7.34289103
  H     16.17166096      7.81713445    -10.61777198
  O     15.59278825      6.16260076    -11.20510641
  H     20.10123656      7.81123617     -8.63872148
  H     17.71462415     10.05106563     -6.83874612
  O     20.80474036      6.77977274    -12.96043217
  H     18.10400113      5.48606334     -9.48425847
  H     19.06050394      9.39443135     -7.26602351
  O     15.77388423     10.06368060     -6.51931084
  H     17.22644977      5.63663147    -10.75377338
  H     14.81129358      7.32058716     -8.12087400
  O     19.43556157      7.98677379    -14.96784946
  H     14.08717058      8.01079084    -13.93510349
  H     15.52940985      8.36738742     -7.18626716
  O     16.39214495      8.60717501    -10.10982240
  H     12.79387387      8.32944532    -14.71918721
  H     16.23798022      8.05951253    -13.61191637
  O     18.59879663     10.23681507     -7.17395805
  H     15.25456822     11.64429938     -9.27724415
  H     16.25915347      6.60840395    -14.13680496
  O     15.63472559      7.53226164     -7.66267565
  H     16.64555280     12.10153817     -8.78796690
  H     17.11850353      6.40182868     -7.63033805
  O     15.68569590      7.27248801    -13.72672946
  H     14.35156016     10.18913304    -13.73519969
  H     18.65492124      6.53233163     -7.56246176
  O     17.94272976      5.91326750     -7.76213955
  H     15.86456922     10.48366664    -13.63386385
  H     18.28449298      6.42939569    -14.93754410
  O     17.69270110      5.70324617    -14.70243141
  H     15.25121642      9.99263676    -10.52196947
  H     18.18089528      5.16572034    -14.06710393
          69
 Energy    -249.01675254278780     
  O     12.04264747     11.50176238    -14.08779954
  H     12.40295438     10.89407030    -14.74888797
  H     18.45202568      7.71968873    -15.21912979
  O     15.71327074      6.93487210    -13.20075599
  H     12.65602349     12.24424323    -14.04124845
  H     14.87252301     12.18351175    -16.99695871
  O     17.93481129     10.90401918    -11.49317143
  H     15.11598561      7.00963567    -12.44568077
  H     16.07790548     12.32419342    -16.05314305
  O     17.35650292     11.13822022    -15.52648690
  H     16.59433648      6.75132520    -12.85136946
  H     14.70733764      9.55087609    -14.77810333
  O     12.25862846      7.07990255    -15.61974247
  H     18.48765249     10.88412742    -12.28326402
  H     15.63801722      8.65045508    -13.90091192
  O     15.20831398      8.67828520     -8.74709788
  H     17.07931748     11.26137371    -11.76294183
  H     11.48609611     10.65773010    -12.72034384
  O     13.97492429      7.34741722    -11.07552695
  H     16.74860329     10.53216369    -15.07418007
  H     10.35728910     10.42009604    -11.68648835
  O     15.30958920     11.55049431    -12.35566614
  H     18.17423091     11.12752426    -15.01703593
  H     16.84946306      8.50949834     -9.71980226
  O     16.85857372      9.60636977    -17.80363653
  H     12.09963204      7.19692815    -14.66553082
  H     17.75742845      9.33556058    -10.66844598
  O     17.40254104      7.05395786    -16.69011133
  H     11.50599798      6.60779187    -15.96567597
  H     11.54672466      8.38542302    -12.66072294
  O     14.99949188      6.22097075    -15.75566510
  H     14.67960779      9.28207381     -9.29395173
  H     12.50882045      7.24160725    -12.31146041
  O     18.99063802      8.05419505    -14.49282006
  H     15.13086290      8.99522096     -7.85047838
  H     19.38411894      9.69266067    -14.10073783
  O     15.24899602     12.75104768    -16.31647350
  H     14.35406430      7.19262347    -10.20756923
  H     20.47774180     10.76968317    -13.89964383
  O     15.49884035      9.54861662    -14.22276275
  H     13.86913967      8.31161677    -11.10569372
  H     18.06919604      7.28245116    -11.44933996
  O     11.22543709     10.12447899    -11.94604745
  H     14.93436991     12.30274418    -12.82732906
  H     18.75195217      5.92095578    -11.73625608
  O     17.60713759      8.44688398    -10.30977780
  H     15.37734694     10.82842201    -13.00055744
  H     14.21198720     10.78237068    -19.08740654
  O     11.86325153      7.52709717    -12.96873044
  H     17.04194958      8.70832772    -17.50312245
  H     15.28366738     10.24487589    -18.10850406
  O     19.53560862     10.62808744    -13.87048612
  H     17.18821243     10.18559705    -17.10221019
  H     14.28427207     10.65867795    -11.19139373
  O     18.26671708      6.62978284    -12.14815562
  H     16.52035043      6.75170559    -16.41135242
  H     12.81873613     10.17431280    -10.98773439
  O     14.40360883     10.66118527    -18.16186509
  H     17.78371103      6.34171264    -17.19809078
  H     14.02904981     14.44105570    -13.95608000
  O     13.71986416     10.08468921    -10.65331080
  H     14.06553522      6.44240355    -15.82645024
  H     14.48020535     13.27172311    -14.86166840
  O     14.07192168     13.49009738    -14.00405655
  H     15.22477605      6.35077168    -14.82156994
  H     12.86383470      8.79798853    -15.90437080
  O     13.23121619      9.68804772    -15.83589439
  H     18.79000170      7.51603961    -13.71684276
  H     13.55126023      9.96345606    -16.70502766
          69
 Energy    -249.01660445153260     
  O     17.76738039      8.58831908    -12.05263787
  H     18.37810867      8.85051757    -12.75235831
  H     13.66852962     12.93831946    -14.29162993
  O     12.56413677     12.32894238    -10.85418646
  H     18.16705548      8.76382353    -11.19179110
  H     14.96045749      7.07806901     -8.01261471
  O     18.86434704      9.49676050    -14.44639877
  H     12.24335925     12.67591016    -10.02557001
  H     15.17653308      7.28012030     -6.49385700
  O     11.43509341     11.24957125    -13.23885439
  H     13.09789488     11.54508423    -10.64187924
  H     13.81816351      9.23081447    -10.75634813
  O     15.90690097      6.69430350    -12.66398110
  H     18.05598294      9.05623108    -14.76355308
  H     14.74910570     10.34444710    -11.25383111
  O     18.64091908      9.11666182     -9.50501406
  H     19.56197824      9.24090361    -15.04460673
  H     18.25023107      7.32281613     -9.04798816
  O     19.97650104     11.48524235    -10.11781196
  H     11.69119362     11.64046222    -12.39431987
  H     17.08309444      6.81258711     -8.19188001
  O     16.14683712      9.98653172     -8.58777804
  H     11.94282290     11.72024189    -13.91210491
  H     16.91031291     12.94498900    -11.08189903
  O     11.96473134      8.64949602    -13.73459269
  H     16.06053073      5.94239458    -12.07873401
  H     16.40742587     12.12051899    -12.29410643
  O     16.55217309      8.15696535    -15.09851442
  H     16.57821323      7.34902418    -12.41270727
  H     16.98732009      5.45165322     -9.96414318
  O     14.29718779      9.81865296    -14.88071972
  H     19.21787703      9.88116531     -9.62745700
  H     16.75709935      4.00515932    -10.45876974
  O     13.30812037     12.44072532    -15.04863658
  H     17.79323174      9.45100212     -9.17418695
  H     16.51158870      9.82970352    -12.45540735
  O     15.50842786      7.53648215     -7.35006937
  H     19.78001152     11.59541831    -11.06544892
  H     15.34640068     10.22786477    -13.42515168
  O     14.14469390     10.11161831    -10.53133247
  H     20.80830608     11.92218269     -9.95694890
  H     18.42938585     12.33313391    -12.62726354
  O     17.76556872      6.52239419     -8.81007043
  H     15.42678001     10.05496658     -9.23011574
  H     19.08333302     11.14844687    -13.38774981
  O     16.75091993     12.99112990    -12.03641956
  H     15.93184564      9.22459702     -8.03474806
  H     12.89125610      7.89708764    -12.31287815
  O     16.43233684      4.89763674    -10.54245163
  H     11.69021262      9.55694071    -13.50940358
  H     14.30828245      7.32543476    -12.03100486
  O     15.82429142     10.48683568    -12.62810310
  H     11.23435336      8.24549026    -14.19587148
  H     18.27879045     12.21648578     -9.49322605
  O     19.24310938     11.81752992    -12.71399097
  H     15.77122793      8.71552800    -15.21012400
  H     16.91794018     11.72662776     -8.96405536
  O     13.49345521      7.63394162    -11.60687509
  H     16.30870908      7.50092251    -14.43389434
  H     15.09316636     13.62912199    -12.55349277
  O     17.35777541     12.48014333     -9.37583218
  H     14.00079533     10.72099796    -15.06163805
  H     13.64443468     13.35205264    -12.08747442
  O     14.16673481     13.69307400    -12.82318503
  H     13.52757634      9.33255840    -14.55859402
  H     14.85938848      5.62097545     -9.70382377
  O     14.18964112      6.19026960     -9.30436595
  H     13.18483556     13.06810820    -15.75555044
  H     13.78303443      6.66461677    -10.04139645
          69
 Energy    -249.01648669942142     
  O     -6.30191282      3.59131962      0.07467013
  H     -5.66090235      3.76861006      0.78726824
  H     -4.38010120     -3.32996517      1.86756390
  O     -2.74187011      3.02664455     -2.91304105
  H     -6.89441097      4.33772469      0.04925875
  H     -1.27646563      1.73045273      1.94430224
  O     -6.13897957      0.99885513      1.20022079
  H     -2.03529790      3.37466515     -2.35706419
  H     -1.54624785      0.43220416      2.74968668
  O     -2.47977857     -1.63603691     -0.54090301
  H     -2.36162076      2.28348708     -3.39943310
  H     -1.63454371      3.22617108      0.25320320
  O      0.18687851      0.95966067     -2.05098917
  H     -5.24894493      0.86583711      0.83253271
  H     -2.73560174      2.18524483      0.59588482
  O     -3.38103467     -1.19322687     -3.12287899
  H     -6.44150389      1.83814011      0.83357929
  H      3.39708199     -0.91878477      1.26545844
  O     -1.68717158      0.65016095     -4.10565625
  H     -1.57732826     -1.44322191     -0.25031187
  H      2.48715860      0.32863415      1.37987225
  O     -0.50369234      3.48519071     -1.13929296
  H     -2.95492483     -2.04712907      0.19223284
  H      1.83471934      2.49143704      1.65029280
  O     -0.02330628     -0.65702771      0.23270829
  H      0.02647137      0.34646210     -1.32101574
  H      0.91831874      1.50099387      2.41339727
  O      2.80673611      1.56911377     -1.27311603
  H     -0.40999960      0.74307842     -2.77689906
  H     -4.37222216      2.56437519     -2.44920964
  O     -6.28308246     -1.52863204      0.04003554
  H     -4.32273933     -1.02122498     -3.01103155
  H     -5.56578555      2.73022327     -1.44210636
  O     -4.18874429     -2.46296468      1.51859055
  H     -3.05094159     -1.48442818     -2.26074381
  H     -3.73598490      0.20528937      3.49386723
  O     -0.84691269      0.95578945      2.33274736
  H     -2.31105125     -0.03320143     -3.80166451
  H     -3.45873407     -1.10130536      2.71246659
  O     -2.21904409      2.92200217      0.95910898
  H     -1.50657529      0.47193505     -5.02465365
  H     -6.77337014     -0.41580024     -3.25934037
  O      2.73712230     -0.41395540      0.79872096
  H      0.30088100      3.78852900     -0.70161145
  H     -5.82660675      0.52883318     -2.48582918
  O      1.84264632      1.71367907      2.22037542
  H     -0.28891300      2.60136846     -1.47545238
  H     -4.07789343      1.22230696     -0.90285827
  O     -5.17321301      2.14198967     -2.09893916
  H      0.92553730     -0.76791814      0.36652155
  H     -3.27541238      0.01607496     -0.30354835
  O     -3.04150700     -0.41857448      3.24978374
  H     -0.33525355     -0.09975189      0.96210746
  H     -3.65485317      3.67717528      1.77349519
  O     -6.07243495     -0.40353492     -2.61177528
  H      2.95251787      0.84322428     -0.65385836
  H     -4.67995576      3.18792223      2.81200512
  O     -3.69510339      0.85839293     -0.09387519
  H      1.97842629      1.35433156     -1.72515600
  H     -5.61734148      1.25807227      2.89521513
  O     -4.54028888      3.85055384      2.12662373
  H     -6.45927784     -0.70004244      0.50714509
  H     -5.79771787      1.41644018      4.42284928
  O     -5.15437942      1.47978437      3.72066404
  H     -6.22490308     -1.28187153     -0.89044903
  H      2.37424887      3.03148971     -0.38181450
  O      2.00614152      3.75487604      0.15723053
  H     -4.96440991     -2.19510991      0.99501514
  H      2.66570497      4.44359522      0.17747401
          69
 Energy    -249.01607215324390     
  O      9.86663967      7.38425009    -10.48718606
  H     10.71200846      7.82521330    -10.64245072
  H     11.34593783      8.23686922    -13.63309187
  O     12.37135067      8.52931139    -10.78768544
  H      9.20837541      8.07357534    -10.34066113
  H     11.46517318      3.43710930    -10.69168067
  O     11.84102565      6.34428823    -13.89031484
  H     12.79767768      7.68329817    -10.97991551
  H     11.54875554      4.47260818     -9.57900506
  O      9.60403708     10.16385376     -7.92046539
  H     12.39383917      8.66975174     -9.83124010
  H     14.07518920      4.88320261     -7.03619470
  O      6.82220521      5.35148398    -11.78492569
  H     12.30614046      6.02316395    -14.65909153
  H     14.36531182      5.01221121     -5.52182660
  O      6.84843032      6.10374844     -7.53420844
  H     12.43707221      6.21683963    -13.13343567
  H      8.47809634     10.78403217    -13.39338279
  O     14.38848934      4.10333540     -8.56825071
  H      9.06408815     10.00365205     -8.71413426
  H      9.57668514      9.80891640    -12.94134157
  O     13.34622182      6.00703274    -11.58675343
  H      9.39172151     11.04395487     -7.61973014
  H     10.97700830      6.04165036     -7.29309547
  O      9.43535128      5.64458815    -12.57193520
  H      6.25485847      4.96069747    -12.44516715
  H     12.20172054      6.14627880     -6.34046588
  O      7.79340361      4.16120794     -9.36783907
  H      7.69174876      5.47145927    -12.20094552
  H      9.44100701      4.80967624     -8.85889190
  O     15.63500945      6.26817314    -10.02229705
  H      7.55702377      6.67503588     -7.18913069
  H     10.11492749      6.12755766     -9.28087716
  O     11.18658454      9.10910620    -13.25704397
  H      6.21322293      6.00784375     -6.82890065
  H      9.66176413      7.33674098     -6.38632191
  O     12.10109537      3.96400197    -10.19135580
  H     14.92692275      4.70496062     -9.09604386
  H      9.00390636      8.60049768     -6.96509493
  O     13.92831791      5.44202978     -6.25203096
  H     13.62480754      3.88104962     -9.11787521
  H     11.88054527      8.05674972     -7.52127692
  O      8.71445177     10.18157017    -12.69326571
  H     12.89741897      5.27183075    -11.14345284
  H     11.34617201      9.41859416     -8.00117085
  O     11.37243979      6.57374016     -6.58355840
  H     14.21891116      6.08526668    -11.18000406
  H      6.40068116      7.05894748     -9.11940552
  O     10.23319516      5.34369668     -8.72251633
  H     10.16014751      5.81148577    -13.18389421
  H      6.39141526      6.83720635    -10.64409259
  O      8.80509845      7.74088567     -6.57678992
  H      9.56473596      6.26688781    -11.83873581
  H      9.10575226      3.11667437    -10.66142334
  O     12.11960026      8.84250134     -8.03460727
  H      7.41389069      4.70909370     -8.66626626
  H      9.66069464      3.89099689    -11.85928013
  O      6.29051939      7.51365136     -9.96393839
  H      7.40856958      4.49862992    -10.18744683
  H      7.36457156      8.92115675    -10.07530365
  O      9.75657088      3.06280522    -11.36883508
  H     15.33844691      6.83769104     -9.28942682
  H      8.25262142      9.82114153    -11.01954961
  O      8.12217148      9.52508700    -10.10610919
  H     16.55719763      6.46287882    -10.16536512
  H     13.93474066      8.24420432     -7.90946339
  O     14.70662596      7.66582390     -7.88620226
  H     11.68377304      9.11696396    -12.42730011
  H     14.51237777      6.99270383     -7.22127321
          69
 Energy    -249.01575901976071     
  O     -4.89953521      4.27109513      1.71691543
  H     -5.73923116      4.47680299      2.11957051
  H     -4.03701274      4.06493759     -2.27054376
  O     -3.09080238     -2.64119998      1.18797656
  H     -4.22968947      4.80181116      2.18509225
  H     -1.64962935     -1.69566723     -2.01617900
  O     -1.04460075      3.71889692     -2.76423987
  H     -2.16146518     -2.79605867      0.93875069
  H     -0.55731648     -2.19115919     -2.99563777
  O     -3.29146365      1.25159672     -1.39502497
  H     -3.45294469     -3.48639643      1.44106189
  H     -1.45082372      2.82858570      4.49260546
  O      1.45711733      0.75173461      4.23387799
  H     -0.75450198      2.82150981     -2.55423415
  H     -1.31122820      3.45780013      3.08786805
  O      0.91030137      5.01088132      3.22957428
  H     -1.97205057      3.64040854     -3.01832273
  H     -0.81692300      6.31036845      0.83217340
  O     -1.27108318      2.98968951      1.34462017
  H     -2.32731139      1.23384669     -1.48337756
  H     -0.53265798      7.73316505      1.36423228
  O     -1.36816206      1.05957599      4.92304306
  H     -3.61089925      1.93124650     -2.00176259
  H     -4.23168022      2.55456117      1.43122121
  O     -3.30381524     -1.55388800     -1.47407764
  H      2.08392689      0.60487833      4.93882244
  H     -3.71071394      1.57658381      0.31734180
  O     -2.51006315     -0.31289178      2.66914084
  H      1.78637560      1.50561593      3.72098865
  H     -2.50159384      5.02907509      3.54048806
  O      0.19751186     -0.67891029      2.16786595
  H      0.50790252      5.69706446      2.68503068
  H     -2.27491435      6.19303234      2.56377356
  O     -3.92262436      3.43780087     -3.00836391
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  H      0.07518257      1.24377803     -1.02695930
  O     -0.69198215     -1.68443684     -2.19894527
  H     -2.10445611      2.50415000      1.28545659
  H     -0.46283786      0.16265031     -2.00248420
  O     -1.36976481      3.67343383      4.03248662
  H     -0.55401662      2.40541603      1.07118310
  H     -3.08118533      5.21979064     -0.68642401
  O     -0.66044470      6.82920758      1.64036220
  H     -1.83791569      0.52346483      4.27115571
  H     -4.41994782      4.83761803     -0.02353942
  O     -3.73609573      1.74127388      1.27201711
  H     -0.42818417      0.90931147      4.76906871
  H      1.51560288      1.95367073      1.13102569
  O     -2.96703581      5.67649916      2.99071785
  H     -3.47421283     -0.60218922     -1.45108155
  H      0.70942416      0.62736407      1.06002048
  O     -0.51564079      1.10046031     -1.77890768
  H     -3.39833238     -1.87830495     -0.57065706
  H     -0.39195022     -2.44288420     -0.44976204
  O     -4.01951767      5.07385637     -0.86802976
  H     -2.81778280     -1.13492818      2.26658241
  H     -0.07314155     -2.12949284      1.03347089
  O      0.91602498      1.44134476      0.57587808
  H     -3.00495993      0.40197725      2.24406548
  H      3.28111611      3.11662904      2.46621779
  O     -0.47570020     -2.78591108      0.44821411
  H     -0.74257239     -0.52331401      2.34790369
  H      1.86626734      3.65023951      2.78608539
  O      2.37356789      2.84476234      2.57707216
  H      0.68755395     -0.36221103      2.93608354
  H     -1.24834760      4.38187279      0.23102218
  O     -1.22987295      5.12144410     -0.39578018
  H     -4.51611597      3.71313348     -3.70104742
  H     -1.04968470      4.74023030     -1.26650597
          69
 Energy    -249.01569110667350     
  O     13.66674022     13.36485741    -13.93237838
  H     14.39836073     13.72617858    -14.44372630
  H     18.62596873     10.56646527    -15.31159601
  O     17.24722072      6.45733800    -13.92179144
  H     13.29604534     12.67479076    -14.49907980
  H     14.99948006      8.92201347    -19.46924440
  O     19.54371853     10.49202196    -11.68540630
  H     17.13287267      6.78569028    -14.82052093
  H     14.20595324      8.95845294    -18.14067610
  O     18.01412308     13.56130468    -14.26060757
  H     16.45186956      5.94722173    -13.72387984
  H     16.63143058     11.01235463    -12.75701706
  O     14.70211349      5.26639906    -13.34093189
  H     19.69954750     10.82357499    -12.57716315
  H     17.01601287      9.49220864    -12.66618575
  O     15.60801343     10.52890164     -9.59345463
  H     19.16691630      9.60559301    -11.77554221
  H     14.06605807     11.14690945    -15.92776573
  O     14.13670473      7.13307278    -11.47040442
  H     17.32409352     13.78456600    -14.89508999
  H     13.37287298     10.50963024    -14.69855301
  O     12.77370109      8.78591011    -17.15471290
  H     17.54766086     13.37929259    -13.43141719
  H     17.43945305      7.96944164    -11.13019280
  O     16.20169187      7.89991049     -9.71489982
  H     14.38124352      4.40002866    -13.10764295
  H     17.79708428      7.51652248    -12.58802049
  O     16.52253958      7.84313044    -16.38486272
  H     14.47496420      5.86292410    -12.60429436
  H     17.15397104     12.56964203    -11.20211509
  O     14.06401809      7.32220801    -15.13528611
  H     14.99832937     11.02723562    -10.14895112
  H     15.72170434     12.55237606    -11.83034629
  O     17.78512485     10.15453537    -15.53718175
  H     16.44405011     11.01337775     -9.58622251
  H     19.25723747     12.35989100    -14.33689644
  O     15.08537473      9.09780858    -18.53630206
  H     13.94108475      7.95749066    -11.93006155
  H     20.72210386     11.94838423    -14.62300236
  O     16.49805540     10.14498420    -13.15803709
  H     14.81331814      7.34420263    -10.81464796
  H     18.69786101     12.25810159     -9.18559286
  O     13.21104828     11.04589502    -15.48623796
  H     12.67475010      9.61558996    -16.66972384
  H     18.69469538     11.35700763    -10.44670347
  O     17.97158020      8.18369806    -11.90637046
  H     13.04056184      8.13645561    -16.48919957
  H     15.48307991     10.69162889    -17.58626162
  O     16.65488848     12.72207794    -12.01500369
  H     15.95476476      8.83860606     -9.62779181
  H     16.46789663     11.00479347    -16.44143338
  O     19.87612174     11.60612420    -14.34663912
  H     16.33902640      7.56774233     -8.83166631
  H     13.80058768     10.97823497    -12.06186969
  O     18.12423489     11.84571385     -9.82523694
  H     17.07772258      8.58834929    -16.11185156
  H     13.79691229     12.48375121    -12.35586875
  O     15.68021926     11.33699074    -16.89667822
  H     16.12551489      8.11587639    -17.22087791
  H     15.54445087     14.58705361    -16.61072149
  O     14.01582478     11.83215094    -11.66960232
  H     14.92742076      7.50308018    -15.53511707
  H     15.70191732     13.07169734    -16.36833977
  O     15.74406190     13.94051514    -15.93729519
  H     14.16441151      6.51292137    -14.61969024
  H     13.85586066      8.64730821    -13.90479170
  O     13.90173024      9.38207430    -13.27486259
  H     17.28202540     10.13547696    -14.70671344
  H     14.83595172      9.64838794    -13.23762373
          69
 Energy    -249.01555838106776     
  O     13.62396128     11.66144199     -8.52680205
  H     14.30572670     12.30730104     -8.78738538
  H     11.79111157     14.00635205    -13.37825006
  O     11.19194131     11.23357669    -15.27088907
  H     13.66188857     11.58660007     -7.57724829
  H     13.52572906     14.76082763    -11.52464428
  O     14.28777811      9.48322870    -10.33357504
  H     11.18599700     12.11248164    -14.86537146
  H     12.52044442     13.55865635    -11.31010236
  O     18.78264705     13.25350424    -12.88731578
  H     11.48393986     11.35101444    -16.18344015
  H     12.20127456     14.21497055    -15.55380268
  O     11.69705178     12.12485101    -10.49241552
  H     13.42908469      9.37084285    -10.76290116
  H     12.65659985     13.50410543    -16.84126812
  O     11.89294838      9.65990376    -11.78115270
  H     14.15136630     10.16240972     -9.66394104
  H     15.41821068     12.22845905    -12.39429394
  O     13.42541756     10.14746385    -14.00991277
  H     18.49562594     12.75419301    -13.67484958
  H     14.06559481     12.98892656    -12.59737957
  O     15.05905758     15.68039545    -11.02356367
  H     19.72562243     13.37019535    -12.95888779
  H     17.04453190     12.61101687    -15.27379637
  O      9.56287705     10.21266938    -13.16013227
  H     11.77112753     11.28700905    -10.97440299
  H     17.21467762     11.13604667    -14.86305577
  O     15.40338485     13.59777934    -15.32364906
  H     12.24479857     12.02054727     -9.70422493
  H     13.34145790     11.48510636    -17.50437626
  O     14.98099223     11.21184402    -16.92562944
  H     10.99886839      9.66715239    -12.15010399
  H     12.31311671     11.61811554    -18.65225306
  O     11.10459253     13.75274367    -14.01313412
  H     12.48414717      9.72306190    -12.54636622
  H     15.73678574      9.24884425    -11.28573106
  O     12.89029153     14.17722646    -11.95647274
  H     12.67531904     10.45874728    -14.53324524
  H     17.03295498      8.42646654    -11.45317778
  O     12.88677957     14.21711013    -16.23279955
  H     13.85752299     10.93301588    -13.63633507
  H     16.36834386      9.40291316    -13.73000921
  O     14.67023443     12.34768037    -12.99183780
  H     15.14414930     16.60471124    -10.80518285
  H     15.10161927      9.71341971    -14.51089795
  O     17.69686946     11.96684367    -14.97057379
  H     15.63306915     15.52197897    -11.79426155
  H     17.63511174     12.34009063    -11.78195392
  O     12.43872787     11.77862562    -17.72098061
  H     10.00523932     10.43531218    -13.99085352
  H     16.93265698     10.97611088    -11.45682704
  O     16.57117686      9.19173724    -11.78666001
  H      9.30855942     11.05779579    -12.77155600
  H     10.12304613     12.62540495    -11.31733614
  O     16.06552883      9.66638273    -14.60717330
  H     15.16334731     13.11707927    -14.51437797
  H      8.68293329     13.17740200    -11.36579244
  O     16.89371652     11.93108259    -11.31734374
  H     14.57940770     13.95730451    -15.68463438
  H     17.42837112     14.61498486    -13.05021452
  O      9.38144797     12.82397698    -11.91163085
  H     15.40734808     10.53723209    -16.38870922
  H     16.22956402     14.81825811    -13.99519691
  O     16.63252623     15.14453072    -13.18235485
  H     15.17663264     12.04790152    -16.48400159
  H     15.38262144     14.21986133     -9.84633724
  O     15.50016472     13.36869748     -9.41047746
  H     10.33862104     13.54720653    -13.46428558
  H     16.06870774     12.84754301     -9.99616024
          69
 Energy    -249.01539096676697     
  O     14.03843474      4.52406328    -12.09660858
  H     13.61615006      3.65905928    -12.02925126
  H      8.94969867      9.02767551    -12.03780133
  O     14.33318679      5.50293573     -9.54048804
  H     13.41803079      5.07951611    -12.58569427
  H     10.95611827      4.71237582    -12.40275174
  O      8.21432369      5.11421840    -13.33043856
  H     14.38042916      5.15869111    -10.44446624
  H     11.08465880      3.21985241    -12.01535109
  O     14.19795890      8.37391612     -9.40320478
  H     13.39731613      5.70566194     -9.38502395
  H      8.58562719      6.07048888     -9.47784733
  O     12.29595629      8.10088954     -7.24313453
  H      8.88677971      4.55731864    -12.91777408
  H      7.50978309      6.90481617    -10.21086101
  O     12.53049821      2.09976137    -11.71782034
  H      8.69627198      5.71060932    -13.91761016
  H     11.72618733      6.79977228     -9.96149235
  O     14.11032895      3.82173535     -7.41496166
  H     13.75716659      8.44029001     -8.54756979
  H     10.96395438      5.62591359     -9.25798614
  O     11.87881091      6.10569242    -13.10766138
  H     14.50286408      7.45830083     -9.46308559
  H     10.48627423      6.87253197     -4.41253348
  O      9.72468089      9.09731222    -10.31009728
  H     12.07038457      7.44198007     -7.92051843
  H     10.00329876      7.07418067     -5.86676648
  O      6.64610157      6.76786550    -11.85529232
  H     11.96419614      7.72480979     -6.41951747
  H     13.10788630      2.57204287     -8.47551763
  O     10.03776013      2.54578270     -7.69044464
  H     12.75258812      1.23332724    -12.04742357
  H     11.64663147      2.09757085     -8.59016134
  O      8.50852091      8.71657297    -12.83814345
  H     12.55308417      2.04591663    -10.74553566
  H     10.72851854     10.93007538     -7.43821567
  O     10.45692718      3.95043992    -12.07177003
  H     14.30598256      4.42759870     -8.15005343
  H     11.17845800      9.45826183     -7.59461883
  O      8.14445943      6.93292902     -9.48428767
  H     14.94469969      3.61620361     -7.00089267
  H      9.61364313      3.81805062     -8.94747384
  O     11.70305247      6.23822506     -9.17398720
  H     11.25131094      6.43121820    -13.76402220
  H      9.80967497      4.27375812    -10.43661304
  O     10.74180683      6.74620890     -5.32270610
  H     12.02607959      6.83991815    -12.49185056
  H     11.34071532      8.57206307    -10.96429028
  O     12.51052986      2.04238246     -9.01628520
  H      9.93367257      9.59409766     -9.51035540
  H     12.87874769      8.34458580    -10.68945426
  O     10.45820394     10.08348694     -7.78403723
  H      9.20857996      8.32846285    -10.02448699
  H     11.32929008      5.04287397     -5.88374936
  O      9.53137568      4.56274815     -9.55514266
  H      5.72774508      6.62551189    -12.06760859
  H     12.45404653      4.15903030     -6.50429528
  O     12.12432723      8.07290112    -11.23205041
  H      7.15681935      6.10873569    -12.35968856
  H      9.35825007      7.76596173    -14.04443771
  O     11.55190689      4.14666939     -6.16132546
  H     10.53288405      3.11378683     -7.07029776
  H      9.70782723      7.51783378    -15.53069743
  O      9.75559260      7.12652787    -14.66266660
  H      9.50241898      1.95861319     -7.16439465
  H      9.20822537      8.72038774     -7.13797130
  O      8.82201330      7.86854204     -6.90198174
  H      7.76966559      8.17497560    -12.53287159
  H      8.46597945      7.50710296     -7.72424189
          69
 Energy    -249.01514743335878     
  O     15.30269382     10.35954678    -14.51325445
  H     15.82357431     10.34146398    -15.33086831
  H     19.33766062      4.47692828    -15.70791930
  O     13.85106011      4.47226698    -16.51592370
  H     14.42591894     10.03261836    -14.74078717
  H     19.24416321      7.64499634    -16.74723058
  O     17.69044760      6.23945501    -12.05553752
  H     13.74801403      4.39711069    -15.55893776
  H     17.97691058      7.63273175    -15.86533360
  O     19.83914021      6.34295685    -17.99196116
  H     13.80865331      5.41976206    -16.70859401
  H     16.85341929      5.74235613    -15.59232496
  O     17.13764318      6.05047606    -18.88083823
  H     17.12616586      6.97972860    -12.33253514
  H     15.72155298      6.76269992    -15.97168462
  O     13.57109910      5.99650378    -10.39945334
  H     18.52971078      6.37177126    -12.51099471
  H     12.96083408      8.30085808    -14.15933241
  O     13.74561041      4.60361024    -13.69973705
  H     20.60803798      6.34037479    -18.55568990
  H     11.94335414      9.21447650    -14.87786876
  O     16.13460157      8.12352673    -13.21491973
  H     20.04535024      5.77028640    -17.23143698
  H     16.00799948      3.06491208    -11.61991599
  O     17.60335742      4.02749595    -15.70886058
  H     16.78030931      5.19878364    -18.60463208
  H     15.90875239      3.69693722    -10.22956933
  O     12.99670643      3.32097531    -11.29504865
  H     18.06216344      6.07605448    -18.60495387
  H     14.54017895      7.69255491    -17.54443222
  O     15.96524599      3.58837248    -17.91532617
  H     14.48548047      5.89341206    -10.10903566
  H     13.65422052      7.83893435    -16.25788858
  O     20.21191907      4.89671159    -15.73153361
  H     13.25520190      5.10486103    -10.59163620
  H     20.65249869      7.46681037    -13.36784417
  O     18.82536251      8.08623301    -15.99770433
  H     13.63893678      5.53941233    -13.48008510
  H     19.55502193      7.44235669    -14.44975702
  O     16.54093748      6.64685731    -15.47421117
  H     13.36354331      4.10249783    -12.96799025
  H     15.51518506      4.22424760    -13.42898021
  O     12.82245593      8.85102254    -14.94939471
  H     16.28901102      7.58161872    -14.00520155
  H     16.87381273      4.74012562    -12.86083993
  O     15.62926487      2.92699025    -10.74073322
  H     15.93858974      9.01627694    -13.53467230
  H     16.89951941      5.78147736    -10.49490985
  O     14.13924926      7.21166610    -16.80875957
  H     17.18275445      3.79895055    -14.86745980
  H     16.80163167      5.83087486     -8.95574952
  O     19.91939744      6.95004034    -13.69542076
  H     17.05622720      3.70899011    -16.43730581
  H     16.22950721      7.52648151    -18.88835444
  O     16.42928540      3.96832880    -13.23664817
  H     13.90527853      3.07101125    -11.04850219
  H     15.53291760      8.62922042    -19.72122444
  O     16.35707813      5.50978124     -9.73679792
  H     12.42493011      2.62076591    -10.99319670
  H     14.45973536      7.59516730    -12.88940173
  O     15.69443774      8.33876336    -18.82760165
  H     15.73404518      2.83951620    -18.45774456
  H     13.43994202      6.93216967    -11.92495551
  O     13.54975434      7.26855496    -12.82604034
  H     15.15522545      3.85642151    -17.44308612
  H     17.66194182      9.54222059    -16.54110973
  O     16.86213918     10.01779764    -16.79579692
  H     20.24681860      5.46895779    -14.95734882
  H     16.48326384      9.51608307    -17.52723450
          69
 Ord_Energy   -249.014755    
 O    7.13457537       4.81666517       4.97306395    
 H    7.88323116       4.76137733       4.36909866    
 H    6.84720755       5.74243259       4.96174192    
 O    2.38806033       6.99581575     -0.132461116    
 H    2.90046358       7.48003817      0.529460013    
 H    3.00817847       6.76207542     -0.832409978    
 O    6.43476772       2.56767106     -0.664009869    
 H    6.10022449       1.67333984     -0.811656296    
 H    6.84379292       2.56046176      0.214145228    
 O    3.29716325       7.46915340       4.62684727    
 H    2.86279917       6.61897039       4.43294430    
 H    2.80132771       7.87222195       5.33440495    
 O    5.22502279       2.59045698E-02 -0.683666766    
 H    4.34857893      0.102502972     -0.265608251    
 H    5.16539907     -0.688066185      -1.31292772    
 O    4.30224609       6.06602383      -2.09399915    
 H    4.25741529       6.26243258      -3.02632833    
 H    5.23790312       5.88298035      -1.89473605    
 O    6.84040594       5.30195522      -1.44430494    
 H    6.83986330       4.34758186      -1.29312563    
 H    7.22450447       5.70028496     -0.653492153    
 O    6.21583939      -7.17280433E-02   2.02211070    
 H    6.78457260      0.707567871       2.07019782    
 H    5.98189688     -0.161405325       1.09034789    
 O    4.03147316       7.87496614       1.96323037    
 H    4.32489061       6.95890903       1.81701779    
 H    3.67561865       7.89477158       2.86090302    
 O    2.81687188       2.45357037       3.67516565    
 H    3.10377836       1.53301859       3.72915888    
 H    2.50731325       2.57755399       2.76493001    
 O    3.85028100     -0.157875627       3.37929726    
 H    3.83723927     -0.933617711       3.93377972    
 H    4.73628616     -0.119192608       2.97717881    
 O    1.92943716       2.83862162       1.04101312    
 H    2.64360690       3.11025095      0.442902744    
 H    1.36330557       3.61426044       1.12731576    
 O    6.17727423       7.40422392       4.70989561    
 H    5.21259594       7.41739750       4.74543285    
 H    6.42222834       7.91044378       3.92847729    
 O    6.62275314       8.77775574       2.14984107    
 H    6.72934532       9.71752834       2.02734876    
 H    5.68081999       8.58159256       2.00790834    
 O    5.39670849       3.44055319       3.43035960    
 H    4.53808880       3.11479926       3.71895432    
 H    5.88187122       3.86807752       4.15325499    
 O   0.757313788       5.38124657       1.35304415    
 H    1.31748748       5.94089890      0.787739813    
 H  -0.138311833       5.68837261       1.23716390    
 O    2.88440251      0.208588123      0.695353746    
 H    3.09654188      -1.83325391E-02   1.60923803    
 H    2.39966536       1.04280734      0.739626169    
 O    4.94005299       5.33543873       1.54734159    
 H    5.05195379       4.71377277       2.28048491    
 H    4.54209089       4.84712076      0.818240225    
 O    3.93681431       3.75339627     -0.555662453    
 H    4.79072571       3.30267739     -0.622294962    
 H    3.93047404       4.46214628      -1.21041584    
 O    7.43318701       2.46680331       1.92312300    
 H    8.14756966       3.06003332       2.17874265    
 H    6.66488075       2.74333453       2.44960761    
 O    9.04768753       4.64261961       2.74354672    
 H    8.57113743       5.26343584       2.16742373    
 H    9.96812344       4.89100218       2.71245527    
 O    7.49451590       6.28840876       1.15304315    
 H    7.38862801       7.20720720       1.42784119    
 H    6.62306070       5.88056421       1.28141677    
 O    2.03210235       5.18777227       3.92131710    
 H    1.57326221       5.27204704       3.07617044    
 H    2.25448608       4.25432444       4.01727247    
          69
 Energy    -249.01475473529769     
  O      0.50079290     12.72622320      1.88677056
  H      0.35086204     13.64598693      2.15767315
  H     -1.23020293     12.12066103      2.46446196
  O      0.92838764     15.14149518     -1.60185328
  H      0.27898677     12.67239213      0.94185067
  H     -0.16535641      9.28979168      2.30118882
  O     -2.48494281     11.69488997     -1.38869478
  H      0.58516921     14.30471931     -1.25326117
  H     -1.09796573      8.27149736      2.99208281
  O     -3.76145411     12.90993344      0.79813186
  H      1.55991235     14.91797496     -2.30186145
  H      2.85635820      8.17040864     -0.99123570
  O      3.84809931     12.39218387     -1.56472128
  H     -3.04700980     12.08140841     -0.70549468
  H      3.75673895      7.00416404     -1.42959181
  O      4.04877694     10.83003562      1.70773810
  H     -2.24972566     10.79817885     -1.10417136
  H     -0.17183312     12.70474848     -4.30585411
  O      5.33045682     10.12655411     -0.77692912
  H     -3.21796215     12.45729014      1.46816013
  H      0.58243478     12.18033430     -5.54920689
  O      1.40157720     10.09895256      1.88318739
  H     -4.64987212     12.94573041      1.14239727
  H      1.30481015      9.34557332      0.17904110
  O      0.04049415     12.64359632     -0.77275245
  H      3.60553177     12.78954879     -0.71626946
  H      1.35602964      9.63256254     -1.35485074
  O     -1.70196172     13.17923190     -3.63519606
  H      4.45438206     11.66616239     -1.36957412
  H     -0.68407849      9.02244988     -0.68591993
  O      3.11572615     13.44779539      0.94590780
  H      4.55812620     10.53409312      0.94442653
  H     -1.60952786      9.13093250      0.52118870
  O     -2.08710806     11.68302634      2.53482061
  H      3.92288947     11.77880277      1.58117632
  H     -1.74963857     16.61661454     -2.74501555
  O     -1.09415843      9.02386283      2.40569475
  H      6.25241788      9.89436333     -0.85397236
  H     -0.69195838     15.66238352     -2.14269412
  O      3.77845822      7.91847032     -1.15988828
  H      4.82105018      9.31573283     -0.94896700
  H      1.81594213     15.87436751     -0.24820382
  O      0.70033024     12.42047874     -4.63412720
  H      1.05134247     10.99676280      1.97213674
  H      2.71607509     16.97785857      0.35674661
  O      1.25304808      8.93021395     -0.69312487
  H      2.36449327     10.19208005      1.91901734
  H     -2.73901687     14.51058166      0.55808926
  O     -1.58309188      9.26540888     -0.43304239
  H      0.59936058     12.06391308     -1.30530799
  H     -2.09337457     15.42980690     -0.49908151
  O     -1.63552729     15.75062466     -2.36075171
  H     -0.87398595     12.39753966     -0.96533669
  H      2.43407644     11.47093473     -2.16737576
  O      2.31012206     16.13631182      0.54761836
  H     -2.08593204     12.59366101     -2.96795516
  H      1.30010425     11.39093646     -3.24120261
  O     -2.12870139     15.24910517      0.44643511
  H     -1.77896851     14.07208575     -3.27853454
  H      2.07603426     13.60270013     -3.97354023
  O      1.60379548     11.02938711     -2.39900039
  H      3.03862108     14.40746851      0.87795751
  H      3.22191185     13.59882390     -2.92878285
  O      2.66498588     14.17687749     -3.46702985
  H      2.27327835     13.15546269      1.31662047
  H     -0.73240926     15.41855870      1.59968515
  O      0.04040535     15.35685143      2.18351256
  H     -1.88995076     10.73980717      2.57748623
  H      0.76967184     15.79535596      1.73242861
          69
 Energy    -249.01463574667861     
  O     13.87087258      4.97112080    -10.12832172
  H     14.83581991      4.99464649    -10.19614963
  H     12.57661721      7.10019493    -15.09509378
  O     15.58489103      7.44440095    -16.85816544
  H     13.55152684      4.63522897    -10.97342445
  H     15.36750744     10.79957201    -12.04619478
  O     17.85112999      9.40167626    -13.78552186
  H     14.70012416      7.48701100    -16.45994413
  H     15.34492063      9.28117761    -12.38923037
  O     14.25849895     12.19200891    -12.49154572
  H     15.46351602      7.18508408    -17.76842281
  H     13.65967663      7.86133768    -12.56064117
  O     11.63184481      6.14306939    -13.87342487
  H     17.20277074      9.67586124    -13.12095309
  H     14.90409437      7.04219582    -13.04111827
  O     19.34875112      5.33785928    -10.61108279
  H     18.70538585      9.36610821    -13.33927793
  H     14.21282023      4.50091056    -13.06705974
  O     16.13560763      8.21472664     -9.84075276
  H     14.30852269     12.11567256    -13.46339185
  H     13.40674875      3.18262721    -13.09604865
  O     11.94147907     10.49530503    -12.62893479
  H     14.27759185     13.12233266    -12.28619394
  H     20.95033298      9.47070201    -12.09055673
  O     19.70358192      6.27035780    -13.13323659
  H     12.11341714      5.36563926    -13.56509565
  H     19.75798557      8.74968678    -11.41548095
  O     14.28472440     11.79253032    -15.14375077
  H     11.58754855      6.73117109    -13.10662781
  H     16.38468935      5.80120501    -13.77914222
  O     11.94417877     10.19106535    -15.49994421
  H     20.02225919      4.70311684    -10.38377186
  H     16.11145371      5.40883092    -12.28942700
  O     13.22243223      7.73092676    -15.44706997
  H     19.49653259      5.58832223    -11.54118845
  H     16.94818225      9.98038735    -15.32789421
  O     15.86532465      9.97833715    -11.95480313
  H     16.07970041      8.89788337    -10.52540231
  H     16.11206490      9.28743288    -16.41947141
  O     14.50070012      7.91849529    -13.03774276
  H     15.23403852      8.07171151     -9.52838586
  H     16.90830908      6.94684579    -15.59084316
  O     13.35501320      4.10119592    -12.84243872
  H     12.67110610     11.10625600    -12.47164190
  H     17.56265307      7.72593909    -14.42706001
  O     20.16457041      8.96338784    -12.27446749
  H     11.84259006     10.44587763    -13.58769250
  H     19.15662404      7.16959964    -10.01343797
  O     15.73547315      5.40589763    -13.18223262
  H     19.97827279      7.17958204    -12.95604667
  H     18.05945159      8.23094383     -9.77460791
  O     16.31812051     10.14833214    -16.04121743
  H     19.01520253      6.32584573    -13.80693683
  H     16.46504764      6.48656318    -10.33600744
  O     17.44917656      6.83793457    -14.79943865
  H     15.01585806     11.27297296    -15.50976578
  H     17.52287593      5.35772687    -10.50875106
  O     18.99922021      8.12094307     -9.96453827
  H     13.47310820     11.33443966    -15.38993134
  H     13.01373594      7.48198807     -8.36959376
  O     16.58059885      5.55479984    -10.57382835
  H     12.35346458      9.31383794    -15.57004075
  H     13.51499683      6.55720738     -9.50461516
  O     13.41983652      7.48862027     -9.23287090
  H     11.18974327     10.18945493    -16.08389745
  H     12.40797736      7.88060365    -10.80779010
  O     12.07769497      7.93309239    -11.71158852
  H     13.77598848      7.95375565    -14.68217895
  H     11.94342157      8.86892144    -11.93426830
          69
 Energy    -249.01430000448210     
  O     -4.39951941      0.12821499      3.59485309
  H     -4.09559147      1.04347299      3.65918651
  H     -2.90529646      1.24626906     -1.48723559
  O     -0.07690363      3.21854048      2.50937514
  H     -3.61758166     -0.43421719      3.50658695
  H     -5.23516970      3.85405222     -0.40000771
  O     -2.18777249     -1.40204786      3.02090247
  H     -0.81729669      3.42530200      1.92111818
  H     -5.42841477      4.31790465      1.06675064
  O     -4.21728382     -1.56129642     -2.39223610
  H      0.30103844      2.38825053      2.19516479
  H      1.74742054      0.34608387      1.55616338
  O     -2.36868739     -2.99072357     -0.72682609
  H     -1.84690061     -1.18591111      2.14279289
  H      0.24693917      0.07362335      1.32067989
  O     -4.85347965      0.52897835      0.88528803
  H     -1.56419778     -1.00695264      3.64802555
  H     -6.37531325      4.43266394      3.48807674
  O     -8.10656894      0.96135519     -0.97168976
  H     -5.03048863     -1.58353028     -1.87064391
  H     -5.22587616      3.45123483      3.17695314
  O     -3.56626043      2.79725097      3.49754130
  H     -3.55893883     -2.05056038     -1.88464743
  H     -3.21508658      3.95318622      0.74140057
  O     -3.87008259      1.04332727     -3.06325348
  H     -2.01870283     -3.83990991     -0.98400859
  H     -2.37661291      2.69817631      0.43249012
  O     -6.36790764     -1.22577753     -0.60803210
  H     -2.90176145     -3.14002957      0.07571826
  H     -7.01625108     -1.36119791      2.75905021
  O     -6.60430937     -2.85849307      1.59868482
  H     -5.63614649      1.09136200      0.94050810
  H     -6.19311303     -0.31964379      3.53199247
  O     -2.64210354      1.20772192     -0.56074495
  H     -4.65160465      0.27474053      1.79502910
  H     -0.71461972      3.03468374      4.11210080
  O     -4.87328500      4.43136237      0.28899414
  H     -9.00642188      1.18530390     -1.19363704
  H     -0.77701616      3.36492750      5.62439811
  O      0.87377994      0.59038917      1.85248694
  H     -7.96060129      1.25850066     -0.05511525
  H      0.18137470      0.26527522      3.63596000
  O     -6.09013041      3.76711579      2.86644423
  H     -3.18084451      2.98128855      2.62757338
  H     -0.66148644      0.95302062      4.72312176
  O     -2.43605609      3.45463576      1.03118403
  H     -2.84035213      2.84734479      4.13192167
  H     -7.05828003      2.42604067      2.02962332
  O     -7.08563565     -0.51098510      3.20829218
  H     -3.99344674      0.09108394     -2.89918275
  H     -7.38359892      0.90296683      2.16687756
  O     -1.17013191      2.82027538      4.94789570
  H     -3.64260396      1.13908048     -3.98395980
  H     -3.29885488     -2.72753781      2.24621148
  O     -0.36162879      0.08976455      4.41515956
  H     -5.72992526     -0.69292922     -0.10596754
  H     -4.70354921     -3.13400357      1.71056661
  O     -7.37836792      1.65294391      1.54993689
  H     -7.06647014     -0.61262313     -0.86854573
  H     -1.37671235     -1.57562625      0.01000138
  O     -3.75683791     -3.24674784      1.57213055
  H     -6.60432620     -2.36669453      0.76054386
  H     -1.58407408     -0.04505928      0.07733089
  O     -1.08905840     -0.77947671      0.47227609
  H     -7.18826523     -3.60417707      1.48029974
  H     -6.61736030      2.08436546     -1.55281657
  O     -5.82128210      2.62108622     -1.62785563
  H     -3.44725293      0.99548567     -0.06025926
  H     -5.20236544      2.11222315     -2.16478584
          69
 Energy    -249.01419962325878     
  O     13.10820663     11.83477113    -15.03884952
  H     12.98383341     11.02547870    -15.55596834
  H     13.33921717      6.34949521    -15.33812856
  O     14.97421268      6.69169185    -12.72176755
  H     14.01150412     12.12174615    -15.21094287
  H     14.89425597      8.23838229    -13.71817917
  O     18.26116955      9.70247031    -12.19677239
  H     14.50970755      7.09407077    -11.97618751
  H     14.20862341      9.14427738    -14.79351499
  O     16.81605391      9.80004355    -16.00517513
  H     15.92210013      6.72116540    -12.53248450
  H     11.23549792     11.93579189    -12.51778182
  O     11.60431612      7.19751736    -15.06017962
  H     17.52817274     10.29367689    -12.41735632
  H     12.39132167     11.55821180    -13.47062988
  O     15.80587463     10.19799693     -8.69326119
  H     18.42013892      9.79912702    -11.24954542
  H     17.65499616      6.85398886    -10.51132804
  O     13.65618435      8.09284990    -10.72628447
  H     17.71342886      9.68032680    -15.65730489
  H     17.97821820      7.92966304     -9.45809846
  O     16.03204410     11.22537003    -12.88724881
  H     16.20140592      9.51806044    -15.30925638
  H     11.68107011      9.45381794    -12.69442588
  O     16.37810726      7.08340627    -16.73029872
  H     11.58561151      7.60998033    -14.17754542
  H     12.22409511      8.21988129    -11.95462321
  O     15.11369947      7.42015263     -8.43757154
  H     10.76676837      6.75747701    -15.17591665
  H     19.16433460      8.24559497    -14.88385211
  O     18.50508023      6.40386996    -15.06091130
  H     15.48814779      9.31453747     -8.46870420
  H     19.05987344      9.42232474    -13.88635432
  O     14.26128956      6.07223858    -15.30602268
  H     15.18705894     10.54790069     -9.34736355
  H     17.87892809      7.92655055    -12.35489563
  O     14.92351171      9.10199559    -14.14531380
  H     14.03519612      7.78497348     -9.89371543
  H     18.02022796      6.67211364    -13.25789339
  O     11.97689433     11.34367890    -12.61615270
  H     13.86446025      9.03554555    -10.79131542
  H     17.48884968     10.02987279     -9.12983813
  O     17.55372330      7.07045158     -9.57572254
  H     15.56085550     10.45613167    -13.25282156
  H     18.98122387     10.23918993     -8.77701810
  O     11.64784482      8.48964193    -12.68065462
  H     16.09076513     11.85113135    -13.61662726
  H     15.07409545      7.70685390    -17.99640869
  O     19.21483852      9.20669988    -14.81618804
  H     16.48172056      8.03069315    -16.56140903
  H     14.67505111      8.49559904    -19.24901735
  O     17.70316339      6.97474773    -12.39860949
  H     15.61964829      6.74590296    -16.22200909
  H     14.88079311     11.09723268    -11.49605893
  O     18.39915018      9.80925705     -9.39765856
  H     15.97847618      7.20643822     -8.83229683
  H     13.34851258     11.09993553    -11.36129959
  O     14.36339360      8.23578049    -18.38490342
  H     15.00211816      6.84307121     -7.68727613
  H     16.34918163     13.05822907    -16.00970558
  O     14.15967580     10.86296257    -10.89419038
  H     19.01275497      5.67543091    -15.41066595
  H     16.27273441     11.52927097    -15.81010598
  O     15.92419678     12.37889389    -15.49232290
  H     17.77738458      6.55637120    -15.68517706
  H     13.44455383      8.99669485    -17.00603676
  O     13.01252050      9.30876356    -16.19899828
  H     14.49730787      6.08990588    -14.36703590
  H     12.40876207      8.61124966    -15.91172557
          69
 Energy    -249.01398627129163     
  O     11.38287310      9.18585701    -12.80559430
  H     11.13249757      8.28696256    -13.06160774
  H     15.61623461      6.59442005    -10.27727554
  O     17.24999259      9.31324991    -10.20413431
  H     11.88988117      9.52072297    -13.55276477
  H     13.58332360      3.23467964    -14.37934908
  O     15.54003731      5.81639170    -14.91956357
  H     17.74611293      9.86516095     -9.60611827
  H     14.10874177      3.70122173    -12.99852652
  O     16.61735087      2.15733640    -12.86161806
  H     16.33851030      9.65894479    -10.21661609
  H     14.25053775      8.03859741    -13.01665951
  O     17.50408651      9.05986590    -13.08862618
  H     15.18903557      4.94971924    -14.66849458
  H     14.52837036      6.65686879    -13.67714452
  O     14.85565864      9.74838969    -13.17782791
  H     16.32172231      5.97022315    -14.36988249
  H     11.89091276      9.02038651    -11.09717831
  O     14.70314215     10.16621112    -10.46436204
  H     16.28629947      2.04253772    -11.96211646
  H     11.43796130      9.13896750     -9.62860717
  O     11.80593829      2.94812500    -15.02311850
  H     15.88281678      2.53691537    -13.36137985
  H     12.80527860     10.34059064    -15.96690164
  O     15.66182873      2.31047868    -10.15393290
  H     17.57035734      9.21576115    -12.13789521
  H     13.22248440      8.88530120    -15.66521939
  O     18.80594893      3.75235289    -12.61533570
  H     17.65152133      8.11264678    -13.20594113
  H     12.92469867      6.66399349    -16.43306532
  O     17.68744868      4.09189538     -9.98471702
  H     14.38509459      9.89816475    -14.00557898
  H     14.39334903      6.83668012    -16.00519531
  O     16.57483962      6.61071358    -10.39587907
  H     15.79475984      9.57773376    -13.34736858
  H     17.12983534      6.34306129    -12.15119130
  O     14.37806227      3.50812158    -13.90909915
  H     14.70873980     10.15493068    -11.43419356
  H     18.07372791      5.42761522    -12.96403209
  O     13.99398338      7.10660361    -13.01212890
  H     13.85637672      9.78341439    -10.21229625
  H     10.76486403      5.37316109    -16.89334918
  O     12.16771047      8.86342103    -10.17767954
  H     11.48773324      3.21045917    -14.13834066
  H     11.60691896      4.53197004    -15.91207377
  O     13.00869854      9.74106478    -15.25374995
  H     11.49824996      2.05943203    -15.17889885
  H     13.19157593      7.21764747    -10.10292940
  O     13.63183189      7.31522017    -16.36001672
  H     16.38842182      2.94419922    -10.01099797
  H     13.89184329      6.67899494    -11.35321345
  O     17.52484605      6.21894986    -13.02612845
  H     15.70101380      1.68051190     -9.43963872
  H     11.29219334      6.26232223    -14.53066146
  O     11.46790222      5.43050388    -16.24987810
  H     18.06078141      3.14552134    -12.77494790
  H     12.26716800      6.71786046    -13.41672784
  O     13.77732769      6.51373172    -10.40092919
  H     19.59042180      3.31723204    -12.93749986
  H     11.07734142      4.83164443    -12.80163700
  O     11.33741681      6.50860412    -13.59977407
  H     18.22270853      3.98884255    -10.78063429
  H     11.88226782      3.79067777    -11.99308555
  O     11.13264617      3.88777962    -12.59561691
  H     17.34750908      4.99782849    -10.00845700
  H     13.62728101      4.74084242    -10.82061895
  O     13.58956135      3.86686839    -11.23295046
  H     16.86655240      7.51825131    -10.24008341
  H     14.23376024      3.30514844    -10.78410254
          69
 Energy    -249.01382184440706     
  O     11.48467189      9.45333009    -13.16910615
  H     12.19719778      9.75987822    -12.59752796
  H     14.03733373      3.85957675    -10.10365536
  O     10.69208434      4.32474344    -11.04909252
  H     11.90973246      9.16033281    -13.98402185
  H     16.71297240      6.35129539    -12.84826067
  O     17.59657026      6.69134886    -11.27623599
  H     11.58091956      3.98385105    -10.88631358
  H     16.25964764      5.59246415    -14.15723023
  O     16.25631937      4.07529100    -15.06957792
  H     10.57702898      5.07760218    -10.45609639
  H     13.04940654      5.83606821    -13.29988279
  O     15.41290266      4.46901571     -8.90081121
  H     17.78773503      7.58343394    -11.60184536
  H     14.52600737      5.99409673    -12.86154117
  O     15.96762683     10.00079687     -9.77538075
  H     16.91485291      6.80783139    -10.60123629
  H     10.25455637      8.32929615    -12.49420769
  O     10.41058252      6.81327144     -9.66983328
  H     15.34745676      3.85296036    -15.30233757
  H      9.65911226      6.90755190    -12.69589016
  O     15.19503975      8.92881685    -13.83865953
  H     16.54318028      3.39794659    -14.44260583
  H     17.11595266      9.67646739    -11.31479833
  O     13.45934190      3.33510413    -15.39106429
  H     15.49961672      5.43509507     -8.94234624
  H     16.85759992      9.38153725    -12.80278662
  O     16.88455898      2.21337272    -13.01279832
  H     15.50412667      4.22843514     -7.98151062
  H     13.17611442      6.84196464    -11.16027056
  O     14.05078019      2.09354529    -13.06242028
  H     15.97863419     10.81755555     -9.28287953
  H     12.16439066      7.20546321    -10.02770820
  O     13.42790727      3.68498650    -10.82843202
  H     15.18852097     10.03538826    -10.35723681
  H     17.64466952      4.82086838    -11.10007810
  O     16.09259833      6.35655790    -13.58790921
  H      9.80031531      7.08695141     -8.99131685
  H     16.71836942      3.96329967    -10.22666836
  O     13.63027130      5.83839116    -12.53106734
  H     10.08055836      7.17849494    -10.51318842
  H     14.65439388      7.22663586     -9.63262849
  O      9.67053413      7.66382815    -12.10008985
  H     14.46862325      8.87533486    -14.47035655
  H     15.84347648      8.13309049     -9.27908353
  O     17.53025479      9.32674621    -12.11348928
  H     15.56447152      8.03245871    -13.80563178
  H     10.15039565      4.77448209    -12.63926626
  O     13.05183227      7.37827202    -10.36179452
  H     13.25069562      2.66416637    -16.03635557
  H      9.05052976      4.66441757    -13.72057992
  O     17.34768081      3.91304213    -10.95510432
  H     13.60245251      2.87195258    -14.54536721
  H     13.50195971      8.95779420    -11.11556721
  O     15.57400687      7.20803283     -9.32268088
  H     17.07334453      2.81209432    -12.26847482
  H     14.34013765      9.47492537    -12.32743755
  O      9.85353477      5.12804498    -13.49762053
  H     17.56017241      1.54077249    -12.99966273
  H     12.70958449      8.58026535    -16.34662439
  O     13.86568385      9.75522188    -11.52954402
  H     15.01334138      2.02399157    -13.01840505
  H     12.63679365      7.44387968    -15.30426459
  O     12.87988735      8.37579012    -15.43006785
  H     13.77848716      2.50167691    -12.23056378
  H     11.30292432      5.53212872    -14.50673910
  O     12.15802954      5.75428990    -14.90193051
  H     13.53783595      4.41811715    -11.45548545
  H     12.59142168      4.92671607    -15.15408345
          69
 Energy    -249.01361690420259     
  O     10.57891333     12.72602581    -10.73050861
  H     11.27461446     13.16238226    -10.21760675
  H     14.87956100     11.61138370    -14.79304040
  O     13.66216342      7.83821687    -16.44582305
  H     10.51180825     13.20701795    -11.56200740
  H     16.30657729      9.61747252     -9.31214004
  O     10.33318786     10.05101631    -10.80944461
  H     14.09070829      7.25861710    -17.06979807
  H     16.08471396      8.58711906    -10.43118218
  O     13.88679371      8.23630557    -13.67440225
  H     13.77326506      8.74552119    -16.78123366
  H     13.96838141      8.30153653    -10.58559950
  O     12.75074522     14.09999640     -9.61012753
  H     10.39593924     11.02302480    -10.75224897
  H     14.40006975      7.71581129    -11.93933037
  O     13.73434783     10.42396844    -17.31982058
  H      9.47903553      9.80854395    -10.46322725
  H     13.98363399     14.53717035    -12.96783765
  O     11.45141572      9.56594739    -13.36556820
  H     13.87420394      7.97128443    -14.60214467
  H     12.42231044     14.40183022    -12.81251842
  O     14.99054439     10.35246716     -8.07869200
  H     13.03679599      8.66547578    -13.49603506
  H     12.03132001      9.73401605    -10.02713540
  O     13.87252883     11.65409832    -11.69851624
  H     13.58663422     13.72508962     -9.31127453
  H     13.28935996     10.43808180    -10.55404214
  O     16.89658697     13.29473042    -11.84334358
  H     12.94104760     14.40689096    -10.50811679
  H     17.46775071     10.11595165    -11.33678171
  O     10.67492658     14.00468135    -13.34455067
  H     12.80058135     10.63151164    -17.44818051
  H     18.71873050     10.29912040    -12.22907290
  O     14.45940216     12.31140014    -15.31940060
  H     14.08836041     11.12904564    -16.76293902
  H     12.68762394     12.13871511    -14.96699442
  O     16.72584122      9.22730683    -10.08582434
  H     11.57475424     10.44512182    -13.74735508
  H     11.37642417     11.66558935    -15.65929692
  O     14.61184731      7.70992941    -10.99761730
  H     11.03973647      9.68219680    -12.50108298
  H     15.34307666     12.04767703     -8.89811254
  O     13.26807354     14.34387876    -12.35132161
  H     14.80457582     10.05585003     -7.19165350
  H     14.84172701     12.36712471    -10.31203240
  O     12.98480631      9.78495505     -9.90305904
  H     14.21752227     10.11637085     -8.61926059
  H     16.34979277     10.40954373    -13.18460542
  O     17.82199581     10.59790035    -12.10737714
  H     14.46515132     11.31317807    -12.37958514
  H     15.06027899      9.61022255    -13.62090290
  O     11.74147360     11.99021260    -14.82574787
  H     13.57196766     12.53183182    -11.96519687
  H     10.21181999     10.86946431    -17.88124031
  O     15.31045866     12.75243471     -9.55533795
  H     17.30497587     12.42702436    -11.95029413
  H     10.79995538      9.92719459    -16.80103442
  O     15.50369793     10.46941763    -13.64449769
  H     16.47846102     13.27678497    -10.97262253
  H     16.11339805     15.25120615    -14.18304580
  O     10.88493069     10.80832445    -17.20967453
  H      9.99656825     14.47240675    -13.82404138
  H     16.09476043     14.07037311    -13.18605251
  O     15.60154458     14.49344084    -13.91315481
  H     10.97403125     13.27316010    -13.91197647
  H     11.77548554      8.06438597    -16.10968086
  O     10.91305624      8.44396386    -15.89881373
  H     14.85055574     13.13497614    -15.00762971
  H     10.95971165      8.70415379    -14.96829712
          69
 Energy    -249.01360502072825     
  O     15.82687849      9.70038547    -16.53093474
  H     14.95295083      9.95280171    -16.21229762
  H     19.67998579      8.77039466    -16.97584236
  O     17.28560654     13.35573903    -11.22394490
  H     16.21872717      9.11493584    -15.86364109
  H     17.95090861      8.17648716    -14.47123609
  O     19.75009670      8.39963924    -14.07374014
  H     17.25998626     14.27703275    -11.46899146
  H     16.92131694      7.07764178    -14.82748563
  O     14.47854446      5.69278209    -16.45711939
  H     17.29249323     12.84554207    -12.05300538
  H     12.66858308     11.00980868    -15.61756381
  O     16.47433488      9.87292571     -9.18648994
  H     19.98560370      8.91577302    -14.85523796
  H     13.70191693     10.69369758    -14.51232065
  O     15.05874730      8.34385084    -12.74050615
  H     19.58741965      8.99211042    -13.32721825
  H     16.27027428      7.93250476    -11.49629824
  O     17.32481480     11.65890622    -13.36776807
  H     13.79527856      5.15049769    -16.84213536
  H     17.35196027      6.85604099    -11.30360345
  O     20.03452626      5.66978025    -13.75147279
  H     14.02979719      6.35520307    -15.90134056
  H     13.81903637      7.65152444    -14.00160111
  O     19.17843213      4.81030905    -16.16637110
  H     16.66319372      9.04460591     -9.64407496
  H     13.18472980      8.46149904    -15.12892936
  O     16.72659453      5.23843439    -14.88747492
  H     17.29606184     10.37666753     -9.20987394
  H     18.30227753     12.27315416    -10.16680486
  O     17.61513700      5.20590125    -12.24668981
  H     14.82582448      9.28119907    -12.73111658
  H     19.38885703     11.97975451     -9.10654089
  O     20.09979143      9.56046979    -16.58649731
  H     15.76280133      8.24638819    -13.40265321
  H     18.94770551     10.33574007    -11.13650354
  O     17.01358562      8.01960652    -14.63663466
  H     17.80170771     10.94884036    -12.91762600
  H     18.21173390      9.04249645    -11.58233164
  O     13.32798372     10.37420976    -15.35169648
  H     17.59257189     11.64941930    -14.29869596
  H     15.30881429     11.10160983     -9.93850827
  O     17.08413523      7.73296777    -11.00729464
  H     19.35347376      5.47396583    -13.09807580
  H     15.59147205     12.47603221    -10.56313095
  O     13.35379271      7.55607937    -14.84299796
  H     20.05087389      6.63519354    -13.83514667
  H     19.08601306      6.46295490    -17.14003685
  O     18.79250933     11.56221568     -9.72301495
  H     19.68031932      4.07178922    -16.50001297
  H     18.00515625      7.33682675    -17.81052604
  O     18.77047069      9.76909634    -11.89625839
  H     19.58733006      5.07425887    -15.32171804
  H     15.53225123     11.29158017    -13.27494842
  O     14.89481371     11.82398038    -10.43395282
  H     15.93942909      5.26331325    -15.44741347
  H     14.51320969     11.35669742    -12.11763757
  O     18.93531909      7.32510683    -17.54123926
  H     17.48657409      5.00520778    -15.43869752
  H     17.21478772     10.90543511    -16.31998962
  O     14.61404974     11.09165101    -13.04380051
  H     17.21313993      5.19234464    -13.13105335
  H     18.75088547     10.84749262    -16.23916518
  O     17.98835884     11.38039216    -15.98471990
  H     17.37616708      4.38073158    -11.82979193
  H     16.00551193      8.25986276    -17.71134954
  O     16.21051072      7.38632814    -18.07297151
  H     20.85619320      9.76354072    -17.12979667
  H     15.60840653      6.77793222    -17.63142319
          69
 Energy    -249.01353978831889     
  O      9.85904200     12.11368772    -11.53752746
  H     10.03993422     12.30438844    -12.46629368
  H     15.91369328      9.27689823    -11.35639936
  O     14.09568309      8.86956651    -17.17869906
  H     10.30475912     12.79441425    -11.01932529
  H     14.75768834      8.26098054    -12.96246333
  O     14.33770910      9.18587699    -14.40475343
  H     14.56954872      8.49258311    -17.91455425
  H     15.35109533      6.97363439    -12.34617946
  O     13.07268200     12.28638896     -8.45159218
  H     14.20011787      9.83774691    -17.24024047
  H     12.75688174     14.75504303    -10.70572040
  O     14.24683733     11.56800356    -17.08490315
  H     14.30446910      8.92462071    -15.33408545
  H     13.41743974     14.43917492    -12.04750125
  O     11.54693099      9.42760983    -14.01500840
  H     14.68411657     10.09001109    -14.38205529
  H     12.28082962      8.50234011    -10.41651607
  O     13.38307029      9.56308980     -7.74434935
  H     13.07370681     11.37072076     -8.14164983
  H     13.68839427      7.92533809    -10.67517712
  O     13.61317450     11.30502658    -11.03651569
  H     13.92447142     12.67244895     -8.20529794
  H     16.78005196     12.81304891    -11.81389063
  O     16.02690978     13.82871130    -10.65310519
  H     13.34987342     11.92199930    -17.04687629
  H     18.09974451     12.47179162    -12.54612785
  O     11.30763115      9.79026086    -11.28914012
  H     14.67368267     11.78417373    -16.24496485
  H     10.90496688     12.31075675    -15.21479823
  O     13.19670559     12.99317632    -13.18122641
  H     11.36459919      9.39604463    -13.06612014
  H     11.01037267     11.18572643    -14.17029749
  O     16.14570149     10.08830338    -10.88753220
  H     12.50515245      9.35107337    -14.11308754
  H     16.17437610     13.46707376     -7.16531360
  O     15.02076528      7.84141102    -12.12596586
  H     13.27042026      9.00374510     -8.53308846
  H     15.94573332     12.13691727     -7.92821945
  O     13.54491746     14.93898281    -11.22842438
  H     13.01457151      9.07502893     -7.01247978
  H     16.02392266     11.94800434    -13.87679344
  O     13.03079867      8.06570145     -9.98580527
  H     13.45542952     11.74133241    -10.19007843
  H     14.53360082     12.30740194    -14.07496032
  O     17.19826538     12.18332568    -12.43166860
  H     14.48232500     10.89092233    -10.97699184
  H     10.92430049     12.46193747    -17.79054769
  O     10.81279827     12.12882289    -14.27190002
  H     16.00154776     13.62935511     -9.71125238
  H     11.29459967     11.16241796    -17.03643243
  O     15.70917262     13.08223323     -7.90291767
  H     15.20294708     14.29812149    -10.84919492
  H     15.23147239     10.02506917     -7.90017087
  O     15.26864578     11.80200449    -14.45736317
  H     12.15378535     10.26005001    -11.22178185
  H     16.21424916     10.24525917     -9.06775813
  O     11.41139917     12.12977785    -17.04071992
  H     10.63582737     10.48681949    -11.28057693
  H     10.72158739     14.42352737     -9.13792517
  O     16.08264495     10.42084280     -8.12490691
  H     12.33690422     12.78392471    -13.56754355
  H     11.82727034     13.34954130     -9.20627094
  O     11.26207395     13.92500208     -9.74720663
  H     13.31434661     12.41857246    -12.40824845
  H     12.16966910      9.07507156    -17.03806457
  O     11.29315031      9.41063179    -16.81413348
  H     16.60654177     10.68702501    -11.48946434
  H     11.20220092      9.28300920    -15.85934901
          69
 Ord_Energy   -249.013382    
 O    5.01172161       1.21279168       8.27380180    
 H    5.67284727       1.47837067       7.62081861    
 H    5.00042295       1.88232279       8.96582985    
 O    4.76334381      -2.06208539       10.5877571    
 H    5.29237318      -1.48613656       11.1524792    
 H    5.18445683      -2.02628160       9.71916294    
 O    4.79562807       3.16067863       10.2736692    
 H    4.09697437       3.61770940       9.78286171    
 H    4.36807251       2.57210946       10.9090576    
 O    6.05814981       1.56135596E-02   12.1224823    
 H    6.31052113     -0.116871446       13.0339823    
 H    5.21510935      0.496746153       12.1380568    
 O    7.06262445       1.59513915       6.40026617    
 H    7.61145020      0.871781945       6.72258615    
 H    6.45800686       1.25586510       5.72186375    
 O    2.40268421     -0.666144133       10.3142538    
 H    3.12733746      -1.29192293       10.4591923    
 H    2.39728999     -0.469163150       9.36797333    
 O    4.38099670       4.67785549       6.57219601    
 H    5.31211662       4.60007668       6.82628250    
 H    3.87426329       4.75229597       7.38890266    
 O    1.41747403       2.38551402       7.09118319    
 H    1.86259389       2.64241552       6.27407217    
 H    1.74549091       1.49493432       7.28917408    
 O    3.14253807       2.94675803       4.93799162    
 H    2.98115873       3.37202907       4.09951401    
 H    3.64309573       3.58582592       5.47988033    
 O    8.48037434     -0.437047720       7.84277105    
 H    8.35546875       3.26142088E-02   8.68885040    
 H    9.39700603     -0.694346189       7.80283546    
 O    5.87942219      -1.41955829       8.06128216    
 H    6.83066463      -1.31369889       7.93773174    
 H    5.55295038     -0.528407037       8.26339722    
 O    4.08166075      -1.73528266       5.98770618    
 H    4.76182508      -1.74745691       6.68264675    
 H    4.03431320      -2.61883307       5.63208055    
 O    7.78337494E-02  0.672010362       11.1500168    
 H  -0.208275303       1.15820754       10.3670435    
 H   0.781960130       7.31510818E-02   10.8650665    
 O    1.22235656       2.37632608       12.9085875    
 H   0.763446510       2.41267300       13.7434216    
 H   0.739485323       1.74022281       12.3481169    
 O    2.65607572       2.48409491E-02   7.63697052    
 H    3.46174431      0.530790567       7.83960390    
 H    2.92291260     -0.658604443       7.01187086    
 O   0.745061755       4.24025249       10.7420111    
 H   0.163111344       3.68437696       10.2079983    
 H   0.934001148       3.73123837       11.5388470    
 O    6.99534512       4.20425892       7.33996201    
 H    7.14639044       3.34528232       6.91948080    
 H    7.26383591       4.09562826       8.25802898    
 O    2.72506952       4.23378420       8.84074879    
 H    2.31621838       3.59986067       8.23764229    
 H    2.07150435       4.40341854       9.53472614    
 O    7.46401358       3.66258049       10.1474838    
 H    6.50135279       3.56183934       10.2513628    
 H    7.72922897       4.37679195       10.7216988    
 O  -0.612460196       2.40812612       8.96701336    
 H   -1.47060251       2.52150297       8.56489182    
 H    3.51845585E-02   2.42731118       8.24395084    
 O    5.01543379      0.748076499       4.79578733    
 H    4.32470560       1.42175913       4.83469343    
 H    4.61769056      -8.33975971E-02   5.07603502    
 O    7.98480701      0.874098301       10.1574631    
 H    7.35633326      0.562279642       10.8189964    
 H    7.91090441       1.83693719       10.1478529    
 O    3.59519696       1.27779627       11.9155617    
 H    3.18315339      0.624583244       11.3302031    
 H    2.87478971       1.70954561       12.3912315    
          69
 Energy    -249.01330827520346     
  O     20.26845043      9.19564136    -14.61935711
  H     19.77542286      8.70338055    -15.28417869
  H     20.53270130      6.40242582    -13.30091377
  O     20.99853031      7.06185922    -10.03601551
  H     20.57136856      8.52704396    -13.98424349
  H     15.36825108      8.58672918    -15.75206957
  O     15.04257192      9.44991338    -11.23903946
  H     20.41424967      6.31990577     -9.80012872
  H     16.49891181      8.76789717    -14.71090976
  O     13.63299669      9.24916872    -15.82945320
  H     21.75476020      7.00545316     -9.45756937
  H     18.90568413      7.26626402    -12.32382796
  O     18.72433938      7.39977581    -16.27751555
  H     14.79534509      8.51325382    -11.27119546
  H     17.56687604      8.01877953    -12.51043490
  O     12.62907953      6.65724525    -15.08302241
  H     15.59333826      9.58959514    -10.45954613
  H     15.90028710      5.36660944    -13.88171989
  O     17.21741693      7.04055285     -9.42260407
  H     13.24795042      9.90539155    -16.40410429
  H     15.60603259      6.69497469    -14.63529297
  O     14.13628176      6.83506566    -11.71804939
  H     13.44777911      9.53417334    -14.91631892
  H     17.86627573      9.79641226     -9.49759541
  O     19.20518255      5.12825102     -9.39363924
  H     17.81505817      7.66808495    -16.06826816
  H     16.95670334     10.40825736     -8.40521401
  O     15.34169233      5.05403722     -9.89271931
  H     18.76767403      7.30820035    -17.22679543
  H     18.95095869      4.92425698    -14.10528945
  O     17.29144863      3.31428703    -10.63138250
  H     12.88688629      7.48782862    -15.50183828
  H     19.41036195      5.94662678    -15.16304301
  O     20.70111333      7.21308620    -12.79487427
  H     13.45920686      6.22590050    -14.83541355
  H     12.41814595      9.14044363    -12.99064313
  O     16.22174911      8.23352009    -15.47256144
  H     17.07389537      7.94508381     -9.12783277
  H     13.68085796      9.88642991    -12.52623369
  O     17.96316988      7.23472067    -12.11256695
  H     17.47197094      7.10055684    -10.35737226
  H     19.55620966     10.00090431    -11.03936530
  O     15.19151387      5.96030218    -14.16340151
  H     14.53756692      6.53722533    -12.54696929
  H     19.98727131      8.80511436    -10.14434571
  O     16.95372113      9.82007653     -9.15563043
  H     13.20209396      6.98605503    -11.90779028
  H     19.66971593     11.76574855    -12.87245027
  O     19.73686032      5.31608618    -14.50897267
  H     18.52048643      5.78537730     -9.19714744
  H     19.72188090     10.33357558    -13.45886411
  O     13.03093238      9.84515231    -13.23814865
  H     18.73657672      4.40282425     -9.81960028
  H     17.55985422      5.58552598    -12.71016212
  O     19.47221120      9.61906083    -10.15673399
  H     14.78303909      5.53820459    -10.51324705
  H     17.37888130      4.10008569    -12.31578392
  O     19.35459896     10.87633109    -12.73656941
  H     15.93896173      5.73038436     -9.54218251
  H     11.83804206      7.10212403    -13.58137153
  O     17.39059434      4.70032413    -13.07075530
  H     17.09631593      2.41825016    -10.37076176
  H     10.66851417      7.15689385    -12.56683468
  O     11.56486290      7.44612408    -12.71140058
  H     16.53389400      3.85905181    -10.34902250
  H     17.67677179     10.15485425    -13.02239319
  O     16.92489392      9.58558376    -13.22691409
  H     20.97095609      7.00351410    -11.89376112
  H     16.25617996      9.67826516    -12.53389332
          69
 Energy    -249.01272181230502     
  O     15.75356147      9.19929519    -16.36536741
  H     16.48023071      8.91791949    -15.79095369
  H     16.44009454     10.23389709    -17.62753448
  O     14.51192761     12.38905583    -15.25490851
  H     15.02879431      9.40427233    -15.76436344
  H     19.65689566     16.57123413    -13.42796544
  O     20.02453653      9.62331658    -11.31334556
  H     15.44466676     12.19044727    -15.08411792
  H     18.41264179     15.98652696    -12.73491038
  O     19.86312883     12.21504297    -12.13610616
  H     14.03756974     11.61312753    -14.93692523
  H     20.07286922     12.13301255    -15.55188110
  O     15.41992381     10.37941418    -12.00924124
  H     19.97390346     10.56886758    -11.53676692
  H     21.20897381     12.80791394    -14.71957022
  O     17.74209489      8.90394921    -14.45002062
  H     20.73474709      9.52907588    -10.68336595
  H     18.38607064      8.84753731    -11.46733398
  O     15.13133854     13.04950715    -17.89159551
  H     20.05957110     12.13710968    -13.08149582
  H     17.48442766      7.62915487    -11.17189819
  O     18.18475273     15.04217598    -16.10003083
  H     20.30492521     13.01369324    -11.81920932
  H     15.53159701     14.70816750    -17.63022379
  O     21.08178017     14.62683118    -11.49250806
  H     16.07357527      9.70887559    -11.77842757
  H     15.41796849     16.19918937    -18.02793905
  O     18.61903282     12.37508929    -16.68829938
  H     15.86534441     11.22842365    -11.89082721
  H     19.55073508     16.03411764    -15.60820536
  O     13.86411306      9.87476404    -14.21914665
  H     17.54610365      8.63490905    -13.54588490
  H     20.48600718     17.24527997    -15.83416746
  O     16.85681473     10.80879119    -18.29374105
  H     18.70700907      8.96872756    -14.51014883
  H     17.47942328     14.94850726    -14.32699215
  O     19.29587027     16.33989885    -12.56271812
  H     14.76766086     12.78649400    -17.03389057
  H     16.07462799     15.17949842    -13.75673386
  O     20.66993821     12.00757545    -14.80370665
  H     15.70919897     12.32580887    -18.15841524
  H     21.81284221     14.48966070    -13.30753062
  O     17.51347707      8.46005697    -11.64073960
  H     17.38096012     15.32152766    -16.55816315
  H     21.46451081     15.14517224    -14.65284475
  O     15.76061956     15.61569933    -17.35670361
  H     18.38683782     14.14414574    -16.39681670
  H     20.48759231      9.27690559    -13.24838208
  O     20.29530436     16.53298362    -15.22960816
  H     21.53252294     15.03142749    -10.75675947
  H     20.66545792     10.17935290    -14.48546195
  O     16.99575183     15.03570775    -13.49545757
  H     20.41886592     15.27025187    -11.80416644
  H     17.25754007     10.69197163    -14.53111987
  O     21.92240331     14.39096256    -14.26064956
  H     18.08961934     12.16346151    -15.89935471
  H     17.12249258     11.99460867    -13.68706226
  O     20.45171046      9.27603635    -14.21061912
  H     18.20027688     11.87861887    -17.39929250
  H     14.39036805     14.21572709    -14.84025069
  O     17.11838651     11.64645703    -14.58669348
  H     14.39530966     10.04799482    -13.42188911
  H     14.84667550     15.46341244    -15.60852546
  O     14.55837177     15.16330665    -14.73854400
  H     13.07360474      9.42927075    -13.92615035
  H     18.05080441     12.53834022    -11.92173212
  O     17.10048118     12.68648671    -12.02015603
  H     16.95316617     10.27957981    -19.08130770
  H     16.99793350     13.56603224    -12.41338158
          69
 Energy    -249.01266346910342     
  O     15.86170999      8.46912148    -16.10996862
  H     16.24897701      7.65181803    -15.75549162
  H     20.42847237      4.65882180    -16.08929769
  O     13.71656347      4.79179041    -17.15863412
  H     16.18333441      9.16710924    -15.52870610
  H     18.51048272      7.58577223    -17.68755043
  O     18.08599964      6.23550460    -12.60715962
  H     12.89768757      4.50427758    -17.55246978
  H     19.71923391      6.66129554    -17.39707216
  O     20.18765241      4.94389782    -17.95728508
  H     13.52779154      5.64309699    -16.72795678
  H     17.57152844      6.25088151    -14.35564388
  O     17.51190706      4.74173672    -18.39112572
  H     17.87838352      5.32784694    -12.34661191
  H     18.04855119      6.53191412    -15.80857982
  O     12.57366568      6.16359061    -10.72315030
  H     19.04128269      6.32382905    -12.71305902
  H     14.11699359      7.75013286    -16.02621508
  O     14.81229833      4.04700437    -13.43774935
  H     20.69625135      4.54389796    -18.65705104
  H     13.42139784      6.99553633    -14.88955206
  O     16.13562103      8.10235779    -12.24583262
  H     19.24953756      4.77508035    -18.15817992
  H     16.29273761      4.13604151     -8.56708773
  O     18.29109606      2.93539482    -14.50763333
  H     17.14396566      5.62682130    -18.50043863
  H     15.82955071      5.21335532     -9.57575471
  O     13.61906239      3.66010610    -10.88950934
  H     16.99046767      4.31697441    -17.70062873
  H     15.19678476      4.17386729    -16.47437181
  O     19.52972284      8.82812157    -14.67491148
  H     11.68284077      6.19228668    -10.38607091
  H     16.45075444      4.78755325    -15.75939261
  O     20.39204627      4.62797271    -15.12787299
  H     12.84043287      5.22662229    -10.74262964
  H     21.58976664      6.49611620    -12.91522924
  O     19.23306084      7.42762691    -17.06672304
  H     14.51207140      4.96709645    -13.40208533
  H     20.67493090      5.88062906    -14.00291213
  O     17.28435311      6.27679594    -15.27715864
  H     15.09017193      3.87655046    -14.34389086
  H     16.32770929      3.80001129    -12.49847462
  O     13.37926880      7.15552278    -15.84259204
  H     16.86048227      7.45971069    -12.30595899
  H     16.91208845      3.78724528    -11.07001506
  O     16.05642456      4.27096920     -9.48076131
  H     16.39732208      8.84952992    -12.79482717
  H     15.56759679      7.40068180    -10.56289558
  O     16.03051839      3.95319550    -16.02771715
  H     17.98651610      3.03317139    -13.59663692
  H     14.27803087      6.74223783    -10.03698385
  O     20.74017934      6.59051000    -13.33618591
  H     17.51811090      3.07430207    -15.06691489
  H     14.66763697      7.21583789    -12.87544614
  O     17.15582057      3.71319265    -12.00090708
  H     14.41293534      3.70414417    -10.34165182
  H     13.33957440      6.58634633    -12.37221848
  O     15.22121133      6.84214048     -9.85577815
  H     13.93210366      3.59172824    -11.80148312
  H     18.02233487      9.61325356    -14.27888053
  O     13.91245480      6.67393337    -13.14411773
  H     19.50995487      8.46213410    -15.57047192
  H     17.29975376     10.94418624    -13.96868332
  O     17.14969186     10.01311991    -14.10947041
  H     20.00814619      8.17910920    -14.14653449
  H     16.43132996      8.00716658    -19.30428459
  O     16.81642704      7.58229225    -18.54187658
  H     19.70050846      3.98808905    -14.90158110
  H     16.38699754      7.97070016    -17.76172156
          69
 Energy    -249.01265896655627     
  O     14.84130057     10.22525101     -9.25811851
  H     15.48114640      9.69168001     -9.75015196
  H     13.58590128      6.55072693    -11.49472732
  O     17.50754491     12.37764397    -13.17380210
  H     15.22773837     11.10291541     -9.15420041
  H     11.56234387      8.86208548     -9.92373677
  O     11.47626129     10.67794675    -14.96210083
  H     17.74606112     11.90925504    -12.35327431
  H     12.15090029      7.94720311     -8.83899712
  O     13.32630265     11.72300366    -13.09455539
  H     18.29349786     12.82385710    -13.47657444
  H     14.44327285     12.98738715    -12.21542401
  O     15.62821614     10.65616709    -14.29741881
  H     11.45395131      9.71900680    -14.80133119
  H     15.96274171     13.21357341    -12.35745572
  O     16.08174590     12.72621108     -9.33546013
  H     10.58864068     10.93685542    -15.19658262
  H     13.06830873     10.46380282    -16.05978150
  O     16.70617090      8.60496517    -10.60585420
  H     12.61166446     11.50697386    -13.70559335
  H     14.58317123     10.37871598    -15.77979277
  O     13.59570534      4.59228170    -13.63933042
  H     14.12463869     11.32277164    -13.46943087
  H     16.12449058      5.48420490     -8.98275179
  O     17.96455512     11.13954700    -10.80867533
  H     16.33264407     11.25212535    -14.01393395
  H     15.01561702      5.98947324     -9.93516694
  O     13.37982480      8.08755784    -12.40359073
  H     15.83386877      9.77751188    -13.94940364
  H     10.26135884      5.18319001    -10.02644558
  O     11.00694496      5.65576555    -13.44805514
  H     16.13044492     13.48053218     -8.75505324
  H     11.00262392      6.53243891    -10.17031475
  O     13.66140903      5.70422725    -11.02686750
  H     15.70968097     13.04059587    -10.17924862
  H     14.89935270      6.56625214    -15.76048806
  O     11.39815057      8.04410380     -9.44150987
  H     16.55348295      8.41437715    -11.54182995
  H     16.13193804      5.63411963    -15.77117873
  O     15.19956460     13.42603007    -11.80561388
  H     16.50137804      7.79353057    -10.12374451
  H     13.79782973      8.43211722    -16.67192713
  O     13.89939813     10.12992017    -16.41796317
  H     13.75428156      4.82969488    -12.71584753
  H     13.31892847      7.26729594    -17.57666987
  O     15.72790205      6.27585593     -9.33745509
  H     14.28364770      5.03695772    -14.14538284
  H     12.29933688      7.68703730    -15.35507633
  O     10.89700947      5.64669179    -10.56454388
  H     17.67528322     10.22538254    -10.69173369
  H     11.31284080      7.15139269    -14.26964102
  O     15.54176762      6.11137843    -15.19211389
  H     17.45115436     11.66868198    -10.18505720
  H     14.42623903      7.32032731     -8.28518465
  O     13.64976293      7.46902503    -16.70493379
  H     13.07525594      8.80178137    -11.82833647
  H     14.11996203      8.81808782     -8.22983216
  O     11.69917344      7.95720252    -14.65053077
  H     12.77313749      8.02764666    -13.15127211
  H     15.02742487      8.13160757    -12.92541390
  O     13.77054797      7.95349813     -7.97368741
  H     11.83770911      5.17881312    -13.59380833
  H     15.98873748      7.39713643    -13.88535445
  O     15.94643716      8.11359312    -13.24241947
  H     10.85821341      5.65015951    -12.49521202
  H     12.76259936     10.84267663    -11.57610924
  O     12.58250840     10.22400587    -10.85636920
  H     12.76134893      5.49598196    -10.74562879
  H     13.32990967     10.28669985    -10.24292999
          69
 Energy    -249.01236155923368     
  O     14.40857212      9.46686574    -10.46350074
  H     14.16936095     10.03026262    -11.21294230
  H     11.55025871      7.68307981     -9.39348724
  O     13.03060254     10.70233306    -16.35160588
  H     13.63297510      8.96128902    -10.19217652
  H     18.44262123      8.25245534    -14.92550024
  O     16.87669001     10.57590761    -13.53863167
  H     12.87596462      9.96612409    -15.74534761
  H     19.00843599      8.31941235    -13.49167104
  O     13.66471626      4.71681198    -13.40902565
  H     13.02857133     11.49974022    -15.80737975
  H     14.46455425     12.91215604    -14.90163120
  O     17.13266908      7.10570324     -8.29351154
  H     17.47573651     10.18648008    -12.89267757
  H     13.27335865     13.83437325    -14.54076144
  O     16.10376449     12.56013949    -15.42371563
  H     16.84671007      9.96008641    -14.28649690
  H     13.42778026      9.43691267    -13.76823382
  O     15.86088437      7.62845906    -11.99420385
  H     14.27099502      4.68499827    -12.64845139
  H     13.74793402      8.10958170    -14.50561080
  O     14.18924750     10.81526886    -12.85361108
  H     13.42377402      3.81695038    -13.61277361
  H     15.48585135     10.67645617    -18.38814970
  O     18.37426557      8.95042160    -11.71328821
  H     17.32070848      6.91574145     -7.37765825
  H     14.59122075     10.59580038    -17.12597853
  O     17.78608830      5.41248643    -14.16240278
  H     16.23675287      6.77010100     -8.46775679
  H     12.22946442      7.56772026    -13.06764423
  O     18.06664041      4.11850144    -11.81731000
  H     16.03830048     11.97904305    -16.19170759
  H     12.47972578      6.08295972    -12.74235108
  O     12.39813847      7.62319646     -9.82553708
  H     16.54229759     12.04145489    -14.73645183
  H     14.84768780      5.53591884     -9.67390419
  O     19.07745005      7.83980033    -14.32468682
  H     16.76290062      7.96250719    -11.92501966
  H     13.86994699      6.60107312     -9.13650990
  O     13.53892047     12.92074464    -14.59659250
  H     15.31233169      8.20453869    -11.44645018
  H     16.31743611      4.52398031    -11.42324259
  O     13.03926208      8.73466954    -14.31171344
  H     15.13854528     10.75000299    -13.03878399
  H     15.62645910      5.90591119    -11.51058162
  O     15.51278033     10.57534770    -17.44052539
  H     13.86703306     11.59810050    -13.31602599
  H     18.64883153      5.70147306    -10.89193758
  O     12.06313488      6.88415023    -12.40557156
  H     18.72933650      8.11480937    -11.36733331
  H     18.30148399      6.66012465     -9.72482227
  O     14.66693041      6.10580830     -8.91481948
  H     17.98981609      9.39512893    -10.94029072
  H     15.43795045      7.15943043    -13.63929188
  O     15.45887338      4.96175532    -11.35937297
  H     18.36466760      6.18784703    -14.23238038
  H     14.61348932      6.05068548    -14.34227114
  O     18.84651305      6.56664402    -10.51741302
  H     16.91635428      5.71800997    -14.43093890
  H     16.08602121      9.77722437     -9.70802040
  O     15.16779546      6.82304489    -14.51179086
  H     18.01447436      4.53400295    -12.69852461
  H     17.10916857      8.90571414     -8.96655770
  O     17.02259605      9.72287850     -9.47401512
  H     18.63861703      3.36090750    -11.90148200
  H     16.18856157      8.08865861    -15.47077640
  O     16.78278404      8.81916983    -15.68375319
  H     12.22858825      7.33105895    -10.73903702
  H     16.37306162      9.34397386    -16.38367423
          69
 Energy    -249.01212615719550     
  O     17.29260656     11.67344407    -14.96224812
  H     16.71711876     11.49802535    -14.20988585
  H     14.20824522      7.18086703    -18.71850223
  O     14.51480420      8.04409289    -15.63842344
  H     16.70439348     11.90632729    -15.69178507
  H     17.56341025      6.52379745    -15.31172541
  O     18.02122745      5.23180851    -11.84546923
  H     15.44138040      8.18149942    -15.38272853
  H     18.67210809      5.47577401    -15.08124749
  O     18.95393108      9.06028305    -18.34546419
  H     14.12166857      7.55757921    -14.90257403
  H     18.59688708     10.54885268    -15.42130307
  O     16.29900251     10.04789629    -18.61460246
  H     17.30573809      5.04966080    -12.47357570
  H     19.16150755      9.63904951    -16.57430356
  O     14.69025236      6.77302579     -9.74271131
  H     17.66534200      5.03723380    -10.96952240
  H     17.26918292      8.11371627    -13.80498983
  O     14.02103447      6.79509711    -13.23049128
  H     18.57626377      8.16351093    -18.29053858
  H     17.76108541      8.74356242    -15.12863228
  O     17.90242611      8.01949372    -12.05950415
  H     19.62344584      9.03597825    -19.02400763
  H     14.60896235     11.07893716    -13.74251281
  O     17.69378880      6.67125552    -18.14548103
  H     17.23121215      9.80101837    -18.58016016
  H     14.87804727     12.04297517    -12.56310294
  O     12.71991511      5.30042914    -11.23312707
  H     15.80174163      9.22154011    -18.59468586
  H     15.17511980      3.74380762    -12.25820952
  O     20.24916306      8.39688446    -13.41055394
  H     13.91152331      6.35633115    -10.13174904
  H     15.38576897      3.76630400    -10.73127862
  O     14.97520995      7.53744928    -18.27791853
  H     14.87003106      7.55505725    -10.28099579
  H     14.26017687     11.25283023    -15.93934200
  O     17.83807653      5.62208618    -15.54411756
  H     13.43179625      6.32203171    -12.63103042
  H     13.93899443      9.82160676    -15.45123915
  O     19.15261134      9.77770407    -15.61986151
  H     14.44678647      7.49351129    -12.71099838
  H     19.42839342      5.33552340    -13.00071360
  O     17.09145181      8.15648702    -14.75277891
  H     17.95857175      7.07285629    -11.87713574
  H     20.76793715      4.88164173    -13.61800486
  O     15.17101269     11.22652719    -12.96093231
  H     18.76866325      8.29055483    -12.39872088
  H     15.30585984      5.50287862    -13.58671771
  O     14.75930333      3.50641160    -11.41794626
  H     16.75016046      6.84691322    -18.24974122
  H     16.48880080      4.93206665    -14.43125356
  O     13.79874644     10.75617922    -15.25082281
  H     17.78570614      6.15884906    -17.33185609
  H     16.70606538      4.59794855     -8.61104104
  O     20.03151674      5.47434170    -13.74970641
  H     13.36491534      4.57215556    -11.28417590
  H     15.91295142      5.53975466     -9.54762791
  O     15.95145421      4.78425854    -13.64278453
  H     11.87155869      4.90803893    -11.04743039
  H     16.25415180      8.54465820    -11.70211570
  O     16.53470383      4.78967498     -9.52897826
  H     20.31553088      7.47083506    -13.66924106
  H     15.19879312      9.61915731    -12.05179039
  O     15.30387262      8.73559864    -11.67813123
  H     20.01854317      8.89612128    -14.20691330
  H     15.32270690     12.87600859    -17.65489210
  O     15.45384796     12.11064988    -17.10213146
  H     14.72683084      7.67607979    -17.34790499
  H     15.75039391     11.38980815    -17.68640721
          69
 Energy    -249.01212166366111     
  O     -0.30031290      0.99743607      1.96257963
  H     -0.75279553      0.17582339      2.19181708
  H     -1.51895077     -2.05639205      2.29110935
  O     -2.49972510     -0.78049096     -0.49743065
  H     -0.01182598      1.39555249      2.79456468
  H      3.78954572     -0.06016391      2.98686167
  O      2.45839883     -1.98734608      1.28391560
  H     -1.71272899     -0.63179905     -1.03551782
  H      4.73081125      0.52269347      1.92187574
  O     -3.98693150      1.13490159      0.69547447
  H     -2.36759055     -1.63185688     -0.06446487
  H     -0.92120500     -3.20062181      0.37677419
  O      2.60686027      2.95337459      0.66142763
  H      1.98372372     -2.08028558      2.11886108
  H     -2.14954785     -4.05404503      0.77900135
  O     -0.02150004     -0.52582933     -1.89234377
  H      3.27942189     -1.52175650      1.51022774
  H      2.19616196      3.61414300      2.36977976
  O     -3.29352622      0.61809746      3.44263729
  H     -4.86286527      1.12704369      0.31906208
  H      1.49001918      4.82201477      3.03556243
  O      0.28722976      6.10762613      2.45783216
  H     -3.47882931      0.44096325      0.23720757
  H      3.53956327      3.24838859      4.07409844
  O     -2.27007419      2.63725619      4.93823636
  H      2.33694589      2.05740040      0.41775199
  H      4.74480179      2.56026304      3.42877737
  O      0.42324420      2.06714906      4.39403203
  H      1.92301146      3.55000555      0.32158468
  H      0.40812269      5.19376375      0.74207254
  O      0.54691661     -2.98804543     -0.51109079
  H      0.18608912     -0.16194753     -2.74918419
  H     -0.36852189      4.02538431      0.11122183
  O     -1.33905477     -1.38488527      2.96241088
  H      0.57191567     -0.09483011     -1.25429997
  H      1.78835138     -1.13132299      4.15578437
  O      4.34328569     -0.30286429      2.23376101
  H     -3.59001884      0.80580076      2.54354855
  H      1.52990001     -2.60252433      4.53746981
  O     -1.76546777     -3.18579858      0.86325205
  H     -2.71861092     -0.15595685      3.38310837
  H     -2.66075917      2.49366432      0.58235026
  O      1.98227433      4.01344282      3.22481152
  H     -0.54296248      5.65247921      2.69122408
  H     -1.25385082      2.27654403      1.14447007
  O      4.25576234      2.62603084      4.25801541
  H      0.14383131      7.03822101      2.60386358
  H      0.88593121      0.66934412      0.75936502
  O      0.45293343      4.52963785      0.04344402
  H     -2.67192542      1.91746940      4.41902226
  H      1.99041786     -0.36873725      0.46544035
  O      1.28585536     -1.92626486      3.90910193
  H     -2.75766740      2.69083962      5.75577073
  H      3.31371595      1.08670880      4.54779735
  O     -1.81958571      2.94229774      0.72414366
  H      0.89524413      2.85200740      4.07628604
  H      1.79597730      0.90729882      4.52539632
  O      1.57347010      0.42870112      0.11654439
  H     -0.45554248      2.32753062      4.69422188
  H      5.82998787      2.75245609      0.99813317
  O      2.62524324      0.41033865      4.46580180
  H      1.30217397     -2.74348602      0.04180571
  H      4.29757788      2.64325180      1.15845543
  O      5.14727142      2.35053172      1.52894076
  H      0.40815572     -2.25446980     -1.12228513
  H     -1.98562485      4.10540049      2.15235143
  O     -1.92376119      4.64901135      2.95028173
  H     -0.49100746     -1.60591414      3.36837258
  H     -2.10276429      4.05462489      3.68736811
          69
 Energy    -249.01174304662382     
  O     16.46232164     10.17442194    -15.21813907
  H     17.28445019      9.67876943    -15.34793134
  H     14.45661725     10.42521950    -12.35279671
  O     15.24743792      6.89313265     -9.44039010
  H     16.70918925     11.09834703    -15.09762272
  H     13.22614958     10.81406209    -10.64104352
  O     17.50691202     12.70658393    -14.46452162
  H     15.56565278      6.79049275    -10.35335478
  H     12.53227621     11.28351431     -9.34083280
  O     12.66081765      7.81608964    -10.21530937
  H     15.57940181      6.14769580     -8.94685367
  H     18.73529469      3.96860402    -15.06673498
  O     14.39372217      8.39512902    -15.78906184
  H     17.40712131     13.52246775    -14.94774909
  H     17.41439524      4.76490513    -15.18670137
  O     18.88160030      8.85519510    -15.27327559
  H     16.95673497     12.78577577    -13.66340070
  H     15.94864000      7.80772441    -12.18705614
  O     19.81980637     11.18332774    -13.99305070
  H     12.70014887      8.75294887     -9.98628480
  H     15.32153157      6.49275630    -12.68706781
  O     18.52929396      7.00592820    -13.22567883
  H     13.48049440      7.42824402     -9.88628239
  H     18.56765505      7.62456295    -16.63104195
  O     11.71026894      7.15168784    -12.65770856
  H     14.71461705      7.86664501    -16.53092582
  H     18.42643063      6.10171577    -16.51587093
  O     15.98042402     12.77147508    -12.25882412
  H     15.06424332      9.07423500    -15.63214689
  H     16.57697420      6.82141617    -17.57408470
  O     12.29069799      9.53446246    -14.18105361
  H     19.36750514      9.61422029    -14.93026317
  H     15.49314640      6.60765772    -18.65698848
  O     13.69150031     11.01996700    -12.33061718
  H     18.76889659      8.23079624    -14.53975576
  H     16.17085606      9.72256185    -13.47322352
  O     13.05991719     10.58104040     -9.71143114
  H     20.58941804     11.74803294    -13.99888804
  H     16.51736674      9.98485794    -11.96454911
  O     18.37488356      4.85106906    -15.04608261
  H     19.04983194     11.75967238    -14.11800264
  H     18.16368938     10.41335263    -10.87702414
  O     15.97934821      6.84253585    -12.07213620
  H     17.67639982      6.91324345    -12.77893630
  H     16.87992534     10.52778527     -9.97175559
  O     18.26582772      6.84311985    -17.11295021
  H     18.61335046      6.22170255    -13.78371675
  H     14.17676814      7.04476091    -14.56417252
  O     15.61827766      6.72967270    -17.71963588
  H     12.03141933      7.38287426    -11.76781152
  H     13.19385439      6.46200673    -13.52105462
  O     15.95705247      9.47448658    -12.56531343
  H     10.84418024      6.76914793    -12.54550233
  H     19.21008096      8.52427785    -12.14674609
  O     17.37937703     10.94824441    -10.68925891
  H     15.10833557     12.36071093    -12.29973201
  H     19.61957468      9.97272159    -12.48295265
  O     14.03562848      6.29774913    -13.96335828
  H     16.48840281     12.27440105    -11.59961789
  H     15.59634429      8.73285450     -9.02360514
  O     19.39287694      9.38486749    -11.75214612
  H     12.90236899      9.20357581    -14.85055543
  H     14.79420396     10.04369840     -9.09967599
  O     15.68018489      9.69093046     -8.95031706
  H     11.99986658      8.75692760    -13.68839992
  H     15.07480345      5.14016252    -14.97147761
  O     15.71739942      4.78709025    -15.60133217
  H     13.08428078     10.66328239    -12.99401971
  H     15.60579155      5.31680122    -16.40031924
          69
 Energy    -249.01170231652804     
  O     -1.13368803      4.65547734      3.25504910
  H     -0.99267893      4.27055213      4.13019442
  H     -4.03337061     -4.59413219      4.28550565
  O      1.48633481      0.50947578      2.68333873
  H     -0.70182879      4.06047763      2.62940036
  H     -1.75812414      2.15690994     -1.11076901
  O     -2.12687137     -0.26930700      4.01410944
  H      2.38388484      0.25009589      2.49142808
  H     -0.52395068      2.10179584     -0.19655364
  O     -3.80779553      0.11762753     -0.13097750
  H      0.92240484     -0.25325913      2.46830448
  H     -2.81131495      5.07520969      3.22203505
  O     -2.43290308     -3.48972626     -0.56255850
  H     -2.35737372      0.46382687      3.42193245
  H     -3.91600286      6.13125564      3.47206968
  O     -0.38665895     -1.42611935      2.19440771
  H     -2.94372863     -0.76236179      4.14695511
  H     -4.49311915      4.11879946      2.00312343
  O     -5.54238420      0.99198065      5.25197592
  H     -3.82597367      0.95451928     -0.61252073
  H     -5.35045488      2.81939984      1.76032018
  O     -6.30481282      1.52476865      2.51943949
  H     -2.97370128     -0.32511669     -0.33745421
  H     -1.05394204      2.17552762      1.79274564
  O     -1.01051145      3.37238637      5.78545343
  H     -2.00751069     -2.61958369     -0.62569765
  H      0.47006440      1.94033319      1.97199783
  O     -1.27539227     -0.96863213     -0.42654574
  H     -2.27155720     -3.92986692     -1.39407894
  H     -4.01956232      3.06962918     -0.24573315
  O     -5.64263554     -1.05892978      1.51849691
  H     -1.00382077     -1.05158414      2.83916482
  H     -4.08286856      3.24372441     -1.77946382
  O     -3.76695240     -3.98043497      3.60485135
  H     -0.56704210     -2.37714485      2.17379702
  H     -5.00468304     -1.27915202      3.19184561
  O     -0.91450064      1.70677878     -0.98764351
  H     -4.87578237      1.70196115      5.25897100
  H     -5.00037047     -0.66795997      4.61355867
  O     -3.77496137      5.20495335      3.29713295
  H     -6.13009827      1.16473093      5.98315882
  H      0.69329627      0.87470088      4.41356663
  O     -4.68263547      3.41010716      1.37601606
  H     -6.25940751      0.64541274      2.12210453
  H     -0.70860033      0.46951580      4.90121116
  O     -0.17981459      2.55586109      1.61192446
  H     -6.14223651      1.39046881      3.46036768
  H     -2.85747370      3.08672891      5.46982373
  O     -3.64946009      2.75106994     -1.08716412
  H     -0.64007990      3.68440496      6.60666579
  H     -3.90494169      3.79937887      4.60189664
  O     -4.67073590     -1.41148539      4.09290205
  H     -0.57534401      2.52415248      5.58755016
  H     -4.13089770     -3.60780499      0.38154833
  O      0.07104633      0.99220797      5.13988893
  H     -0.91699254     -1.07867129      0.46558564
  H     -4.55199007     -3.92530454      1.82688373
  O     -3.78045900      3.04673806      5.19145461
  H     -1.03421651     -0.07950068     -0.72774317
  H     -2.11629087     -4.02848249      2.63710046
  O     -4.89710084     -3.65920360      0.96595388
  H     -5.04250703     -0.61263492      0.90247695
  H     -1.70291913     -3.97708184      1.15286698
  O     -1.35030096     -3.97464316      2.05163647
  H     -5.58287886     -1.99720308      1.28917759
  H     -3.35104983      2.24976274      2.04281845
  O     -2.72026731      1.52107884      2.05754470
  H     -4.09283907     -3.10742255      3.87781710
  H     -3.00378132      0.93355157      1.34540959
          69
 Energy    -249.01073020634766     
  O     16.68245718      3.16496614     -7.16641178
  H     16.64761677      2.21261719     -7.17378468
  H     15.74129469     11.12137390    -13.69452562
  O     19.53554913     10.67965025     -9.12619501
  H     15.81665888      3.47700312     -6.84683019
  H     17.20107955      6.21770551    -10.60336365
  O     14.39380591      4.34366329     -6.28584108
  H     19.14905128     10.72576662    -10.00898415
  H     17.04030555      7.74723716    -10.71124089
  O     13.60669598     10.40536123     -7.42227062
  H     20.00561898      9.83859493     -9.08072714
  H     18.99898297     11.50557199    -12.34346538
  O     20.79569804      8.10055885     -9.21628955
  H     14.24920200      4.97366199     -7.00660222
  H     17.68227436     10.73444889    -12.14501696
  O     15.09376090      8.00240239    -12.68525009
  H     14.63582291      4.88026334     -5.52149013
  H     17.57309658      4.41871279     -5.99695702
  O     14.55317942      6.31261588     -8.26941281
  H     13.92096639      9.66340092     -6.89155909
  H     18.35119282      5.74255565     -6.10377495
  O     17.24227618      8.89190198     -6.97139083
  H     14.38688244     10.89467364     -7.71471723
  H     11.28076798     10.40995347     -9.61857065
  O     15.84246256     11.63497059     -8.69385051
  H     21.73796236      7.95983568     -9.25956892
  H     12.62452197     10.32330979     -8.85265303
  O     18.11153880     11.57162045     -7.02906744
  H     20.46310535      8.05046953    -10.13084763
  H     16.65714772      8.89096848     -8.72459544
  O     14.73591976      8.10452302     -6.16459108
  H     15.41295271      8.90600691    -12.79582007
  H     15.45540612      8.73238942     -9.72860538
  O     15.98231798     10.75635914    -12.84613071
  H     15.85504442      7.49189393    -12.37601411
  H     19.62678297      7.18073090     -8.08473610
  O     17.26611944      6.95487960    -11.22345115
  H     14.16615584      6.80709497     -9.00506878
  H     18.36013562      7.57508915     -7.28425278
  O     18.60590487     10.78438490    -11.85561053
  H     15.41840728      5.99435822     -8.56037863
  H     17.75442216      5.80520901     -8.51687858
  O     17.83832382      5.19803027     -5.49281555
  H     17.48181100      9.81411058     -6.82217405
  H     16.99358491      4.45657747     -8.50920956
  O     12.21551477     10.26606138     -9.73612921
  H     16.38039395      8.71393945     -6.57058987
  H     13.17033413      8.73726569    -10.17709483
  O     16.36053553      9.06152136     -9.62921004
  H     16.06237962     10.79399241     -9.12489440
  H     14.10929661      7.97679068    -11.18093002
  O     18.91087345      6.82127427     -7.54831743
  H     16.57528984     11.82536386     -8.09804503
  H     19.40574446      9.03941894    -11.87456759
  O     17.08128837      5.29034355     -8.98654115
  H     18.62293693     12.15668925     -6.47805137
  H     18.92090423      7.59739197    -11.65177074
  O     13.80889704      8.01973996    -10.26076354
  H     18.68524586     11.30211689     -7.77146513
  H     16.40856486      5.84555949     -4.69783002
  O     19.71848894      8.14483522    -11.69433606
  H     14.61717844      7.50513479     -6.91806181
  H     15.61237871      6.03402034     -3.38601481
  O     15.55331995      6.13501054     -4.33223366
  H     14.92720541      7.53723524     -5.40709945
  H     14.80476358     11.96460642    -10.20186291
  O     14.28863943     11.78154222    -10.99925621
  H     15.35808442     11.12958112    -12.19847147
  H     13.49530486     11.32645849    -10.69277027
          69
 Energy    -249.01063284490166     
  O     15.46759324     10.39239333    -15.82460148
  H     15.84612738      9.50037830    -15.82873686
  H     14.81606011      5.46942382    -17.17891714
  O     13.95946196      6.27155158    -15.84964096
  H     16.07833776     10.93378139    -15.31216671
  H     19.21150964      5.95928201    -16.37047429
  O     18.59324968      7.04960952    -12.30104548
  H     13.94043510      5.98455644    -14.92548593
  H     19.63138277      7.25949707    -17.07153452
  O     18.73969936      8.69647244    -17.91243223
  H     13.22791914      6.88382668    -16.00174400
  H     16.44885461      8.08124424    -14.46047930
  O     16.34324848      7.71011243    -18.73503047
  H     19.36280042      7.23280366    -12.85308758
  H     15.46623217      7.35702045    -15.46006301
  O     14.77570259      7.26046927     -9.53531285
  H     17.97424409      7.78387507    -12.44008347
  H     13.43963108      9.29640916    -13.49030000
  O     14.40163618      5.69095161    -13.21170424
  H     17.87046071      8.34368805    -18.17149811
  H     13.95191377     10.03933681    -14.75740595
  O     16.74498533      8.96317762    -12.85376380
  H     19.09233074      9.12489918    -18.68867801
  H     16.82959054      3.96514256    -11.80970818
  O     17.49826591      5.34428731    -16.01150152
  H     16.06861033      6.80559436    -18.55474406
  H     17.03163848      2.76733385    -10.85431198
  O     13.98373045      4.71495938    -10.68258949
  H     15.56024428      8.26153893    -18.59075681
  H     12.35931511      8.79864873    -15.56482639
  O     19.22193673      9.90783505    -15.37208065
  H     15.69839427      6.96640136     -9.63996297
  H     11.11647163      8.36466587    -16.38038431
  O     15.40234848      5.09635031    -17.86040888
  H     14.68187290      7.55290289     -8.63263310
  H     20.44181918      7.23178387    -14.97051505
  O     19.95890550      6.56030501    -16.49054669
  H     14.08328933      5.28173991    -12.39423218
  H     21.56897722      7.71513925    -14.02815507
  O     16.33936234      7.76256469    -15.36609897
  H     15.33698694      5.45784606    -13.28480005
  H     17.66447961      5.64044018    -12.95113064
  O     13.16030013      9.69180295    -14.32475450
  H     16.89138662      9.87307205    -13.13921461
  H     17.28598301      4.88135256    -14.25180292
  O     16.64040575      3.63502334    -10.91489525
  H     15.84349170      8.87029171    -12.51761030
  H     17.85575497      6.57257999    -10.62750118
  O     12.05840677      8.24125830    -16.30621259
  H     17.22655450      6.25582742    -15.81177364
  H     17.14036738      5.31009551    -10.11279980
  O     20.62154057      7.70386499    -14.13709969
  H     16.90214353      5.04885051    -16.70946192
  H     14.28669748      8.05250139    -11.15860655
  O     17.11866230      4.92074403    -13.30134454
  H     14.12891953      5.52797356    -10.18278680
  H     14.21692711      7.39765785    -12.55061620
  O     17.27210624      6.24863845     -9.92940173
  H     14.81788409      4.22905101    -10.64322180
  H     17.77932380     12.25683341    -13.82712506
  O     14.19741860      8.25424926    -12.09887381
  H     18.99722910      9.53294118    -16.23350876
  H     18.12321128     10.92574059    -14.54642473
  O     17.42102662     11.40809497    -14.06918478
  H     19.71964486      9.22936018    -14.90198761
  H     13.36550716      8.93544296    -17.61812948
  O     14.14750432      9.29040659    -18.05437381
  H     14.87810555      4.48458031    -18.37022095
  H     14.55538538      9.87805696    -17.40391566
          69
 Energy    -249.00990541784225     
  O     12.02243490     11.01627090    -15.16212788
  H     12.65291891     11.74286727    -15.08965949
  H     14.50249670      5.70152669    -15.64593941
  O     15.46215619      6.96518269    -13.03223958
  H     11.74957735     10.77712108    -14.26777275
  H     18.62208768      6.63444101    -15.16491465
  O     17.18653913     11.33929575    -11.25243769
  H     16.35705964      7.08309703    -12.68727723
  H     17.46123544      5.67255520    -14.88149948
  O     17.74500073     10.03536583    -15.12327711
  H     14.84932183      7.04717744    -12.29155720
  H     15.67905338     11.06493527    -17.26956299
  O     12.64816767      6.32565927    -15.55339536
  H     16.45066218     11.54797903    -11.84318912
  H     16.72876489     11.31597968    -16.17195075
  O     15.75205233     10.02707433     -9.26483653
  H     16.78534402     10.95448294    -10.46078036
  H     14.49696547      9.14441571    -15.11778372
  O     13.84161921      7.38512822    -10.86287678
  H     18.20211378     10.08861713    -14.27453295
  H     15.24530915      8.44566287    -13.94623316
  O     14.93741513     11.50609311    -12.89442140
  H     16.84648775      9.71918779    -14.93770071
  H     11.34439314      9.00507956    -12.80453743
  O     16.41337804      7.43754569    -17.49596339
  H     12.78967342      7.22678617    -15.89365159
  H     10.21748728      9.98974278    -12.41668339
  O     16.47502112      7.25232298     -9.72261185
  H     11.92203276      5.95806912    -16.05192320
  H     12.46146938      7.12302484    -12.23050429
  O     18.98538820      7.98866304    -16.44453451
  H     16.00372918      9.09886782     -9.33769524
  H     12.18225444      6.90367223    -13.74542849
  O     15.44996289      5.73132042    -15.46874440
  H     14.87421440     10.10030728     -9.66006362
  H     19.86130836     10.21705555    -12.37399333
  O     18.27202167      6.02620697    -14.50100477
  H     14.62524104      7.23363117    -10.32049783
  H     18.36206621     10.45977977    -12.07231007
  O     16.00106248     11.73191360    -16.64988453
  H     13.69679217      8.34419935    -10.87338213
  H     18.38981511      8.19229003    -12.21703225
  O     15.18876264      9.26367485    -14.45765696
  H     14.65179628     12.18598234    -13.51425086
  H     18.24833936      6.77302699    -12.84074430
  O     11.14325610      9.94461340    -12.64293161
  H     15.02359206     10.69663506    -13.42164784
  H     15.55441959      8.81434114    -18.05208205
  O     11.85728911      7.34088936    -12.95032892
  H     16.05579413      6.82888394    -16.83576702
  H     14.98828080      9.60739953    -19.25614192
  O     18.98373462      9.91500329    -12.59174449
  H     17.34210789      7.56098088    -17.26823082
  H     12.56201258     10.14915796    -11.40836910
  O     18.03472185      7.30761937    -12.05980553
  H     17.08832620      7.23955540    -10.47422701
  H     13.98750517     10.67657849    -11.58544219
  O     15.04068004      9.60432135    -18.30419273
  H     16.85865464      6.69018598     -9.05299946
  H     14.06536183     13.90638538    -15.37639800
  O     13.43437243     10.14384019    -10.99564216
  H     19.79101197      8.28165041    -16.86178478
  H     14.78924426     12.57758317    -15.69357159
  O     14.11514148     12.98858378    -15.12334835
  H     18.58869605      8.76570418    -16.01376190
  H     13.67992649      9.16783975    -17.12508406
  O     13.14847722      8.87814717    -16.37380970
  H     15.49558748      6.10761975    -14.57591038
  H     12.66436154      9.64327739    -16.02389077
          69
 Energy    -249.00988794803351     
  O     17.21291699     10.57589551    -10.97634135
  H     16.85279083      9.99975608    -10.28015623
  H     18.10440525      5.66962496    -13.36975170
  O     16.06575337     12.48512536     -9.36363704
  H     18.10761767     10.24737946    -11.12429836
  H     15.54875055      6.12868917     -9.10392045
  O     12.24220222      6.95081690     -8.53462684
  H     16.51679335     11.94204004    -10.03228299
  H     15.44866718      6.40392349    -10.65828594
  O     15.40078960      9.48206528    -12.80859314
  H     16.07712452     13.38322010     -9.68614154
  H     19.60726947      8.76961784    -12.79072374
  O     19.60708276      9.18234947    -10.94726054
  H     12.89665691      6.29670330     -8.26761009
  H     19.43085517      7.41089120    -13.49548237
  O     19.99565289      9.99166688     -8.26573802
  H     12.42391316      7.70682221     -7.96015968
  H     16.67550518      8.40935172     -6.02519536
  O     18.72916127      6.57291411    -10.44354983
  H     15.88541008      9.29825847    -13.62321393
  H     16.32898738      9.14872078     -7.32904323
  O     11.91883418      7.40705200    -11.20653161
  H     16.02671726      9.91502775    -12.21242173
  H     17.91723529      8.66751111    -14.50568402
  O     12.93392625     10.07679602    -11.55112320
  H     19.86628244      9.53013780    -10.08488162
  H     17.20025336      9.03189559    -15.82835957
  O     13.86169121     10.66433695     -9.06134126
  H     19.28138260      8.28429268    -10.78096172
  H     16.03137647      8.05726524     -9.40055313
  O     13.58425133      8.89421713     -6.96960992
  H     20.77477866     10.35254994     -7.84972317
  H     15.20358991      9.37525926     -9.14153904
  O     19.02233303      5.58327097    -13.05482684
  H     19.24446402     10.52457514     -7.95282442
  H     17.23630170     11.84735347     -7.91930867
  O     16.05316545      6.30834724     -9.90886687
  H     18.91810230      6.13029257    -11.27939478
  H     17.32868265     10.77486303     -6.81100393
  O     19.40408699      8.36488877    -13.64362401
  H     17.78821304      6.42838104    -10.26121786
  H     14.42424108      7.14050660     -7.29440782
  O     16.32982185      9.24409778     -6.36197285
  H     11.05666077      7.09789879    -11.47268714
  H     15.61276360      6.24379941     -6.89851422
  O     17.04708709      8.71812086    -14.94132965
  H     11.98998626      7.24509977    -10.24994669
  H     14.83521051      7.81041232    -12.32154849
  O     16.08595670      8.97846756     -9.11991647
  H     12.49962167      9.21661891    -11.49853762
  H     13.59472335      6.98392197    -11.88753981
  O     17.85327437     11.40018647     -7.32964050
  H     13.70978899      9.95726395    -12.11485822
  H     19.12446305      6.91716797     -8.65731728
  O     14.81222896      6.26667404     -7.43927606
  H     13.46086529     10.54975791     -9.93689281
  H     19.47281120      8.18399226     -7.85308174
  O     14.52970426      6.91432045    -12.11485100
  H     14.48159769     11.40104927     -9.11047410
  H     17.95993221      6.78521786     -6.62780674
  O     19.17445037      7.27197105     -7.75990275
  H     14.40312177      9.08835806     -6.49592741
  H     17.63193654      6.08322138     -5.28899156
  O     17.24149820      6.58278472     -6.00082066
  H     13.51555547      9.59398890     -7.63705134
  H     16.60911174      6.91500557    -14.42389545
  O     16.50909399      6.07385523    -13.96037968
  H     19.37365155      4.78665147    -13.44289426
  H     15.75977276      6.19074317    -13.36290025
          69
 Energy    -249.00956868262941     
  O     11.98925108     11.13968121    -14.06553901
  H     12.65344455     11.83774122    -14.05966387
  H     14.97098646      6.02720870    -15.30542328
  O     15.60438161      6.59808928    -13.63790961
  H     12.23376430     10.55645185    -14.79829514
  H     15.18757008     11.41028894    -17.03177171
  O     17.38457752     10.16583029    -11.00946178
  H     15.48106685      7.51454403    -13.93472314
  H     16.36614679     11.54373246    -16.05357712
  O     17.59320677     10.36249188    -15.34209657
  H     15.13784231      6.53320509    -12.79639849
  H     14.48051529      9.27000473    -14.98513671
  O     11.95380522      6.80538783    -15.69754535
  H     17.00551651      9.89026900    -10.16289729
  H     16.01460999      9.58157615    -14.82619325
  O     15.88290400      9.13721082     -8.91762295
  H     16.64407812     10.53894514    -11.51001052
  H     10.28773259      9.88676407    -11.73989912
  O     14.18322815      6.77529966    -11.25523450
  H     18.11176837     10.62088754    -14.56583383
  H     11.43883994     10.19553685    -12.72691592
  O     15.13859972     10.99174365    -12.38475246
  H     18.02716297      9.59398937    -15.73077877
  H     18.32147660      7.19976608    -12.19897867
  O     16.08822866      7.83673629    -17.65134799
  H     11.14792093      6.36800232    -15.95804990
  H     17.94962570      8.39392415    -11.28545816
  O     16.37697279      6.35025680     -9.55586252
  H     11.94604478      6.84980822    -14.72366999
  H     11.60917815      7.89596913    -12.66620167
  O     18.62715811      7.90637018    -16.25848049
  H     16.02318622      8.18385567     -8.95768717
  H     12.65295397      6.79126462    -12.40626242
  O     14.63288114      5.97602997    -16.20906166
  H     15.01791268      9.28797055     -9.32183361
  H     18.54498011     10.71957527    -12.26814091
  O     15.55120604     11.97789326    -16.34265343
  H     14.00879468      7.70583527    -11.05051838
  H     19.74650417     11.52885937    -12.77646593
  O     15.24803363      9.16611110    -14.40827051
  H     14.84601895      6.48544139    -10.61594942
  H     17.29905010      6.37446287    -13.84971201
  O     11.16250786      9.61001268    -11.99843560
  H     15.13872674     10.28917139    -13.05381007
  H     18.52356933      5.43153610    -13.89695524
  O     18.15950438      7.45015434    -11.28476267
  H     14.86192911     11.78978125    -12.84786230
  H     15.15757960      9.22525984    -18.03726771
  O     11.94697341      7.05817042    -13.00701561
  H     16.96933710      7.81736129    -17.26617829
  H     14.46497699     10.07155038    -19.13267478
  O     19.03041380     10.97102819    -13.06972542
  H     15.57955076      7.14032947    -17.20840774
  H     12.71114961      9.52593232    -10.94775503
  O     18.26391338      6.34586067    -13.98534964
  H     16.80454422      5.72139458     -8.98130056
  H     14.13322779     10.06035721    -11.19930333
  O     14.57536062      9.99297259    -18.18935922
  H     17.05848566      6.68274228    -10.16800133
  H     14.21498373     13.90460958    -14.22533988
  O     13.62312048      9.45600068    -10.64059727
  H     18.54998002      7.35987539    -15.46028530
  H     14.67064680     12.63385939    -14.97654610
  O     14.21055488     12.95242527    -14.17940408
  H     19.47775442      7.71059288    -16.64444686
  H     13.37677485      9.58085622    -16.85163048
  O     12.95201021      9.40120109    -16.00327060
  H     13.68808959      6.15449896    -16.13092483
  H     12.58165190      8.50913531    -16.02143353
          69
 Energy    -249.00900254230868     
  O     11.56235213     10.31603586    -10.66056726
  H     12.37727225     10.69924434    -11.00883723
  H     17.96043413      6.18525597    -17.57760716
  O     13.08028146      7.84053743    -15.22557212
  H     10.94279677     10.28556237    -11.40104990
  H     16.39506100     13.22580312    -13.51249657
  O     17.78831630      9.25901992    -16.89279903
  H     12.97778461      7.08963969    -14.62551702
  H     16.58416584     11.72200194    -13.81632027
  O     12.32963601     10.28634977    -14.29271091
  H     13.50769434      7.54501416    -16.04332780
  H     14.74148022      8.31448206    -14.62424859
  O     15.78063210      4.84957535    -11.00193867
  H     16.98142439      9.61546402    -17.28789179
  H     16.04564131      7.55213172    -14.26382524
  O     12.89291739      5.86949376    -13.26854483
  H     17.88636058      9.71062265    -16.04544650
  H     10.90386589      7.78235730     -8.86858287
  O     15.30426792      8.76275894    -11.52916357
  H     12.53614490      9.41303922    -14.66068957
  H     11.45692183      8.72090499     -9.96890768
  O     15.26750901     10.10880419    -17.87405697
  H     11.43898082     10.22520401    -13.92888464
  H     17.42606227      6.67145217    -12.55548023
  O     15.06281509      4.01471189    -13.48251848
  H     15.02042275      5.39011273    -10.74146420
  H     16.84260988      7.66004718    -11.49474521
  O     17.57257130     10.32576380    -14.26950410
  H     16.52865826      5.45674574    -11.03416316
  H     11.15431337      6.62912449    -12.77822906
  O     14.65448011      7.36147612    -17.40396599
  H     13.15835002      6.18259120    -12.39072019
  H     10.69789826      7.24388106    -11.43758159
  O     17.42262121      6.57153871    -16.89146978
  H     13.49655944      5.14686576    -13.47391121
  H     20.19184946      9.00791065    -12.16370324
  O     15.92175396     12.40334044    -13.60843166
  H     15.39253890      8.60322690    -12.48219360
  H     18.80629343      8.34717666    -12.12663215
  O     15.60628840      8.41180389    -14.20981691
  H     14.85585706      9.61523798    -11.47819937
  H     16.30504327      5.26238107    -14.11750781
  O     11.35587595      7.78763695     -9.70766347
  H     14.90694653     10.64350538    -17.14470856
  H     17.17121859      6.06162943    -15.15506936
  O     17.56965093      7.04566585    -11.67280759
  H     15.07554369     10.58440625    -18.67815754
  H     14.83269896     11.96267692    -15.13881816
  O     10.47077166      7.17561962    -12.37405847
  H     15.05588255      3.06528072    -13.56967148
  H     13.50328281     11.22051873    -15.36838429
  O     19.30253668      9.09188216    -12.49826065
  H     15.32671350      4.21225425    -12.56453263
  H     12.92467728      7.00258532    -10.25094393
  O     16.92304028      5.99718928    -14.22254645
  H     18.24000826      9.97429895    -13.66329717
  H     14.24664548      7.45784794    -10.93496571
  O     14.27686497     11.57767717    -15.82531985
  H     16.84950044      9.67873653    -14.29877805
  H     13.35677777     10.78283342    -12.85402452
  O     13.70200719      6.68425328    -10.72460003
  H     14.81480068      8.28570990    -17.64007585
  H     14.57381227     11.64940597    -12.47880700
  O     13.88044410     11.09608343    -12.10047696
  H     15.52638389      6.97497305    -17.26863429
  H     10.07040995      8.82509055    -12.82161213
  O      9.92542370      9.77951617    -12.95272585
  H     17.62292781      7.52540450    -16.88451745
  H      9.00023304      9.89342653    -13.15163173
          69
 Energy    -249.00899681457662     
  O     -6.35922261      3.23966374     -0.25992085
  H     -6.59680014      2.59395645     -0.93597223
  H     -1.18331172      1.59445770      2.71878451
  O     -3.23687049      3.58528282     -2.84736486
  H     -5.90732983      3.97972148     -0.68929027
  H     -2.52617457      2.85378559      0.38703935
  O     -6.60469479      3.12098806      2.50132204
  H     -2.27806638      3.51708990     -2.74760201
  H     -2.04591625      4.29587547      0.62884634
  O     -4.00440775     -1.79143311      0.75677454
  H     -3.56551954      2.68522293     -2.73739509
  H      0.16543689     -1.43944268      0.23863375
  O     -1.29185344      0.27205411     -2.31149997
  H     -6.89584258      2.21433800      2.65205694
  H      1.53570870     -0.80812761      0.50971362
  O     -3.96591654      0.90236017     -2.11468764
  H     -6.67912996      3.26211723      1.54718322
  H      2.57781412      1.18111885      1.88023349
  O     -0.59747383      2.94982144     -2.08011537
  H     -3.87550231     -2.73604229      0.79870233
  H      1.06790640      1.13952180      1.55580581
  O     -1.57852017     -0.60785361      0.33007693
  H     -3.13397596     -1.40312971      0.56341766
  H     -5.70938818      0.94588162     -2.22484021
  O      1.25019703     -0.89892157     -2.58700318
  H     -1.06024378      1.21294030     -2.27307667
  H     -7.09922415      0.91853006     -2.90711397
  O     -7.20782632      0.34260240      2.67707220
  H     -0.48901180     -0.19814759     -2.56555491
  H     -3.19268119      1.24771709      3.60598200
  O     -4.40622320      0.14571601      2.76025275
  H     -3.92671903      1.15399413     -1.17812646
  H     -3.03982718      2.77344257      3.68518049
  O     -0.61878277      1.50424623      1.93762421
  H     -3.10122287      0.53521123     -2.33762288
  H     -6.69866378     -0.14620184     -0.57678941
  O     -1.73981598      3.41884611      0.36193253
  H     -0.94177438      3.19449351     -1.20692449
  H     -5.74944347     -1.05611939      0.24570421
  O      1.10726642     -1.54492384      0.05362274
  H      0.32643548      2.69017100     -1.95441824
  H     -4.83964616      2.35617768      0.35970643
  O      1.94947732      0.90642458      1.21730897
  H     -1.48295055     -0.28051319     -0.57561105
  H     -4.13364427      1.32996371      1.29026987
  O     -6.66440968      1.05532935     -2.06943169
  H     -1.30073390      0.10094902      0.92625937
  H     -3.61277767      5.19748200      1.84936972
  O     -2.55738020      1.94768777      3.81146463
  H      1.76578060     -1.50548276     -3.11096253
  H     -3.80116830      5.55386952      0.34803613
  O     -6.63630956     -0.67608421      0.22606924
  H      1.26488699     -1.23135302     -1.67174458
  H     -4.94898437      6.04365188     -1.83148639
  O     -4.02857138      1.84573823      0.48297467
  H     -7.93405813     -0.12491957      3.08041342
  H     -4.17933202      4.70457635     -1.89454327
  O     -3.18526830      5.61245469      1.08810357
  H     -7.09890807     -0.02287941      1.78052679
  H     -4.46791915      4.78140037      4.13299825
  O     -4.76705447      5.24722968     -1.33897467
  H     -5.36050599      0.20936700      2.89434388
  H     -5.12054202      3.84298695      3.09680644
  O     -4.27771914      4.24896827      3.36359045
  H     -4.25596467     -0.63190699      2.20804346
  H      1.94832236      1.54334382     -0.61323514
  O      1.83474827      1.75280981     -1.54828078
  H     -0.85951103      2.24814057      1.36556800
  H      1.77079970      0.90172818     -1.99775047
          69
 Energy    -249.00899460255874     
  O     19.45896557      9.74568911    -15.00843036
  H     18.52337457      9.70060452    -15.23648105
  H     20.65260473      8.54488665    -15.45159991
  O     21.31851631      7.55542566    -12.72119509
  H     19.51918669      9.90173486    -14.05871441
  H     19.29866207      4.25977041    -14.85345490
  O     16.58214802      7.20527237     -9.83377060
  H     20.89552399      6.72566452    -12.45947042
  H     18.34824187      3.27726788    -14.13285436
  O     13.69583876     10.46250115    -11.44368124
  H     21.43375881      7.52041573    -13.67831459
  H     16.06908645      9.36329564    -12.85381658
  O     16.71788493      9.52634626    -15.89674498
  H     16.03037783      7.87990856     -9.41131856
  H     15.71631592      9.60914786    -14.34121741
  O     11.94777591      8.22063285    -11.73466644
  H     15.95275650      6.65075574    -10.31954872
  H     18.45713856      6.13476770    -12.93078502
  O     18.27384001      5.01429077     -9.71544095
  H     13.55517044     11.40502682    -11.49282267
  H     17.66816058      7.46443708    -12.99150134
  O     14.53821458      5.75344843    -11.03133765
  H     14.25204289     10.22541785    -12.20399051
  H     14.39433095      7.92155230    -13.47836224
  O     19.82590768      5.29357268    -12.06287973
  H     16.71733308      8.60776516    -16.22017134
  H     14.38230599      6.44519574    -13.96109451
  O     16.30562288      3.61950939    -11.31813473
  H     16.53945182     10.07829113    -16.65459637
  H     18.71053328      6.27640749    -15.00581983
  O     16.50460818      2.81480235    -13.89486462
  H     12.44392667      7.75731254    -12.42369242
  H     20.00096230      6.49359553    -15.82193658
  O     21.29039099      7.81920096    -15.58008159
  H     12.39086665      9.07261224    -11.63153065
  H     14.33883478      9.52784670     -9.83894242
  O     19.25396083      3.60981212    -14.13966541
  H     18.51952583      4.79444320     -8.81984006
  H     13.86400510      8.29267902     -9.06070945
  O     15.32999830      9.53310007    -13.46043810
  H     17.75351696      5.83314250     -9.66707314
  H     20.56880225     10.44927590    -11.73474634
  O     17.79801297      6.62339790    -13.44240375
  H     13.84427389      6.00182445    -10.40796515
  H     20.50726552      9.00790870    -12.29933807
  O     13.91539896      7.08518310    -13.40540398
  H     14.32811933      6.18803009    -11.86947025
  H     16.38562664      5.83354334    -14.20149703
  O     19.20110705      5.95552806    -15.77863746
  H     19.38795708      5.07723530    -11.23199110
  H     15.81798532      4.44628434    -14.55077583
  O     14.58071523      8.93794230     -9.11509583
  H     19.70865224      4.56154222    -12.68935676
  H     17.65648700      6.58740958    -16.67667464
  O     19.98887998      9.82169335    -12.15645464
  H     15.59651524      4.27144743    -11.22393031
  H     16.21654490      6.36740808    -16.20650494
  O     15.66193940      5.38944610    -14.67354055
  H     17.02169360      3.93493596    -10.75729894
  H     12.20795099      7.37289993    -10.22902926
  O     16.76332040      6.95006962    -16.74967614
  H     16.43784654      3.04824382    -12.95080381
  H     11.77139442      6.64321422     -8.93470528
  O     12.53654560      6.92457741     -9.42831023
  H     16.18781728      1.91958513    -13.97959266
  H     17.24427702      8.35455202    -11.08843300
  O     17.41776635      8.89340847    -11.87175352
  H     21.97242918      8.14901120    -16.15866545
  H     18.31201703      9.25564390    -11.82578195
          69
 Energy    -249.00872979004222     
  O     15.16299732      7.04392514    -17.50759014
  H     14.49753361      6.37069986    -17.32971606
  H     14.42923333      6.28877236    -11.34342213
  O     13.54498510      5.59638341    -12.75939263
  H     14.72902263      7.90189790    -17.39645194
  H     13.53121736      8.78096920    -13.12613054
  O     17.11000856      5.08550947    -10.63222718
  H     13.57649975      6.47805713    -13.16669828
  H     14.64649958      8.27948160    -14.10075214
  O     13.58474649      4.74086544    -16.64419747
  H     12.61984524      5.32513993    -12.75293382
  H     16.00076722     10.17958102    -15.01096197
  O     10.48289886      9.85607420    -13.17495061
  H     17.82508680      5.71772378    -10.77627625
  H     16.24502892     11.55042549    -15.68122630
  O     13.88465790      9.48374577    -16.98276472
  H     16.31670811      5.61555768    -10.48202771
  H     10.21040341      4.39028675    -12.95556754
  O     19.05641443      7.00499844    -11.51106877
  H     14.17947498      4.49853239    -15.91681302
  H     10.86745762      5.37681026    -13.95301636
  O     11.64385198      8.60353097    -15.46446465
  H     13.63499645      4.03111463    -17.28145584
  H     10.41519590      8.24202618    -12.09766725
  O     17.26698346      3.36395355    -12.73063836
  H      9.93638010     10.63090982    -13.06944829
  H     10.59898047      6.70833179    -11.99370080
  O     18.89635109      5.50563480    -13.76336897
  H     11.33667320     10.05786249    -12.75359080
  H     14.65497591      4.71816655    -13.82752555
  O     16.96937187      6.19701085    -15.66994238
  H     14.31972234     10.11634530    -16.40154158
  H     15.92880139      3.84571758    -13.92999310
  O     14.86028008      6.79524907    -10.63914507
  H     13.01300153      9.31853883    -16.60174133
  H     11.24634119      6.79851956    -15.67527579
  O     13.75520316      8.10166163    -13.77558105
  H     19.96673431      7.14699840    -11.26658542
  H     11.97375950      5.46705510    -15.99405336
  O     15.60611003     11.05543185    -15.17267906
  H     19.06373064      6.51870837    -12.35555277
  H     12.23568527      8.40370841     -8.91277330
  O     10.78775608      5.14663759    -13.00861908
  H     11.08436208      9.08509540    -14.84492614
  H     11.85889992      7.92157420    -10.33562090
  O     10.60931608      7.52599191    -11.48113832
  H     12.43356979      8.36345190    -14.95233442
  H     16.69444903      7.76505466    -14.86006744
  O     15.26120158      4.30038165    -14.45823921
  H     17.16238457      3.92350859    -11.93992980
  H     16.63919575      8.53494709    -13.48957939
  O     11.18972882      5.83912014    -15.57180641
  H     17.54853744      2.50604070    -12.42427006
  H     13.76006028     10.54005098    -11.97277754
  O     12.59309410      8.24756533     -9.78294345
  H     18.39734283      5.80369275    -14.53575963
  H     12.89135042      9.56312695    -11.10253760
  O     16.42685435      8.58786892    -14.43163856
  H     18.47067290      4.68659730    -13.48199844
  H     15.49942554     11.19335048    -13.22961946
  O     12.91720850     10.06340907    -11.92727058
  H     16.46808232      6.51813497    -16.43641574
  H     15.98178317     10.33675490    -12.02718247
  O     15.40288872     11.06898256    -12.27703746
  H     16.40710308      5.53621260    -15.24378797
  H     17.61249924      8.16013643    -11.56180177
  O     16.76058690      8.59550894    -11.69575093
  H     14.15255090      7.27955572    -10.19811251
  H     16.08753724      8.01307508    -11.31708282
          69
 Energy    -249.00860789666439     
  O     14.53367805      6.17378229     -8.68886026
  H     15.32570300      5.79505217     -9.08989187
  H     13.61794963      7.83967328    -14.13139669
  O     15.02560589      6.52626519    -16.45705827
  H     14.69360049      7.12369250     -8.64647987
  H     17.31101995      9.19451683    -13.32249067
  O     18.28716454      7.96771857    -14.28660440
  H     14.66750279      6.09669382    -17.22962940
  H     16.46398885     10.47255397    -12.93382301
  O     15.55681072     11.87064252    -13.50602377
  H     14.26905239      6.86560127    -15.94760204
  H     13.93966878      8.56517986    -11.92907457
  O     11.14034017      6.41083596    -13.32128678
  H     17.77491485      7.14465101    -14.31355379
  H     15.29789781      8.64828925    -12.67066438
  O     18.61320891      4.87439906    -12.26518819
  H     18.91708312      7.86715603    -13.56340156
  H     12.16140145      5.07125644    -10.49450398
  O     12.51486305      4.19009320    -12.15915657
  H     15.45441038     11.74863071    -14.45936283
  H     12.89253770      5.82009570     -9.34996032
  O     17.40345016      8.33611395    -10.30791033
  H     14.66489388     11.86050251    -13.13971137
  H     20.48070336      7.79541647    -11.42075471
  O     12.79862370     11.54157058    -12.64452007
  H     11.50418061      5.58503231    -12.97664024
  H     18.95798492      7.82575787    -11.17923182
  O     15.17086022     11.19796544    -16.23872530
  H     10.96927139      6.96281489    -12.54963354
  H     15.52739290      5.39544681    -11.52521809
  O     12.71267181     10.37058651    -15.08122366
  H     18.12137946      4.96655056    -13.08990927
  H     14.70270656      6.39842932    -12.36949530
  O     13.06186308      7.57681740    -14.88110127
  H     19.10971114      5.69602243    -12.16219387
  H     17.32221539      8.66381898    -15.76812785
  O     16.79544307      9.61762977    -12.62434282
  H     13.40702441      4.57034239    -12.23724282
  H     16.08323996      8.09944191    -16.49222616
  O     14.47990680      8.13871493    -12.60472141
  H     12.59881569      3.25382356    -12.31857344
  H     16.22889240      5.80727982    -15.17155783
  O     12.03506279      5.71453896     -9.78785557
  H     16.71488507      8.58484433     -9.68015136
  H     16.11104228      5.50523472    -13.66665964
  O     19.64451954      7.53520878    -11.80046048
  H     17.20671130      8.84782442    -11.10957742
  H     11.24301701      7.09651709    -10.37903469
  O     14.92610512      5.45970928    -12.27925934
  H     12.69891689     11.10102921    -13.50836190
  H      9.95517404      7.95202985    -10.47096283
  O     16.60049577      8.90381879    -16.36182128
  H     12.22060143     12.30035956    -12.65796543
  H     17.02407920      6.50156733    -10.25447954
  O     16.75278513      5.63948649    -14.37888058
  H     15.70555594     10.38683255    -16.30381566
  H     17.47767522      5.14625081    -10.84074739
  O     10.84410809      7.87781208    -10.80789124
  H     15.35602782     11.71061211    -17.02101700
  H     14.93878391      9.57533908     -8.08784600
  O     16.81931693      5.55630540    -10.26164865
  H     12.71052465      9.40612935    -15.12539904
  H     14.34559385      9.25095865     -9.47464664
  O     15.05051039      9.01225627     -8.85063367
  H     13.49302463     10.66017292    -15.57131855
  H     12.22825573      9.04230420    -10.69915664
  O     13.04598389      9.56052481    -10.69193968
  H     12.29563319      7.13622864    -14.48606197
  H     12.93515811     10.30374447    -11.30109033
          69
 Energy    -249.00857206774089     
  O      0.31786231      0.24019134      3.52486035
  H      1.02748860      0.03991385      2.90654758
  H     -3.64166213      2.63228205      1.21120520
  O     -1.44572761      0.24053756     -3.29477862
  H     -0.51964381      0.18178767      3.03643844
  H     -3.35573418      1.30548340      6.66962008
  O     -1.18507141     -1.16076132      5.41437864
  H     -1.30197379      0.75999670     -4.08193187
  H     -2.84713610      1.68155325      5.25754657
  O     -3.64887207     -0.43582564     -1.62347800
  H     -0.92775254      0.65676435     -2.58629238
  H     -1.74293491      1.58812515     -0.31923562
  O     -0.58061182     -2.36530486     -2.37928845
  H     -1.84109818     -0.49565044      5.65423393
  H     -3.12058784      0.92840126     -0.51591159
  O      0.69735288     -1.44733964     -0.13815582
  H     -0.52217838     -0.69086885      4.88958722
  H     -2.30828307      0.55520374      1.48604167
  O     -6.23851886      0.98934363      2.15878819
  H     -3.04968220     -0.19570632     -2.33961939
  H     -2.88322840     -0.16227476      2.74232468
  O     -4.28060151     -3.09251715      3.17770630
  H     -3.33412732     -1.28519158     -1.27915938
  H     -2.20386387     -2.85735897      0.13577785
  O      0.13491872      3.02416027      3.14589063
  H     -1.36387372     -2.70536409     -1.92544833
  H     -3.63614723     -3.21717271     -0.30189205
  O     -0.08157976      1.12277059     -1.03624599
  H     -0.87410050     -1.58788310     -2.86858587
  H      3.17660285     -0.54917010      1.69780975
  O     -4.39915051     -0.38481235      3.75171012
  H      0.43391120     -1.82672519     -0.98887572
  H      1.86817724     -0.62527632      0.87465008
  O     -4.16155493      2.96448345      1.95476563
  H      0.13645669     -1.87279628      0.52755628
  H     -3.09039278      3.02239755      3.42299960
  O     -3.10655821      0.93311978      5.82875007
  H     -7.16606382      1.20117417      2.21997050
  H     -1.59623399      3.09862934      3.82768046
  O     -2.64540580      1.57690658      0.02190627
  H     -6.13750121      0.39064395      1.39705703
  H      2.43026152      3.09018951      0.56006794
  O     -2.09981444     -0.07691637      2.18402828
  H     -4.40222980     -2.16802111      3.43829416
  H      2.02031596      1.66720627      0.99826250
  O     -2.78539661     -2.90575933     -0.63626925
  H     -3.42545811     -3.35365545      3.53631327
  H     -1.48616204     -2.69987027      4.65548761
  O      2.36937948     -0.07872789      1.50488442
  H      0.26122289      2.11203947      3.44306966
  H     -1.32989664     -4.23540279      4.73304948
  O     -2.48290305      2.93130369      4.17083024
  H      0.53200045      3.05108091      2.27146779
  H     -1.19241657     -3.02590916      2.40711552
  O      1.68090888      2.50429546      0.64351872
  H      0.51318137      1.73112863     -0.58039146
  H     -1.53365591     -1.66519216      1.76575470
  O     -1.62568816     -3.52991167      4.16442602
  H      0.13039564      0.23652434     -0.71017762
  H     -5.81676549     -4.19616140      0.67432115
  O     -1.13506304     -2.53209929      1.58200727
  H     -4.09130736      0.08709425      4.53660966
  H     -4.88094213     -3.37121092      1.59118306
  O     -5.20576175     -3.46451773      0.67656308
  H     -5.07732777      0.14547587      3.31369780
  H     -5.73538254     -1.67311439      0.31358463
  O     -5.86022514     -0.73866229      0.10711782
  H     -4.93041482      2.38540465      2.01026908
  H     -5.23427407     -0.54251450     -0.60093864
          69
 Energy    -249.00832804629809     
  O     -0.82534795     -0.06711982      1.50161583
  H     -1.50712734     -0.42458929      2.09509553
  H     -1.96124507      4.27801469      5.23482914
  O     -4.88255624     -3.53344713      3.44581848
  H     -1.19179467      0.76613958      1.17716789
  H     -1.48848566      2.20591104      6.06116291
  O     -4.88421752     -1.47946371      1.52431456
  H     -4.08578289     -3.96773422      3.11972241
  H     -0.92300913      1.05168004      5.19457419
  O     -3.80951530     -1.56308402     -1.08836032
  H     -5.11563145     -2.90383785      2.75037708
  H     -3.47895068      3.86494895      3.53018118
  O     -2.23099159      2.28759383      1.00125859
  H     -4.57898775     -1.64307802      0.62314076
  H     -2.27688629      4.71610648      3.06876228
  O     -4.05716391      1.11566909     -0.76584585
  H     -4.09129756     -1.35104913      2.06896183
  H      0.03548011     -1.28732352      6.72373803
  O      1.07630260     -1.75063239      5.09639100
  H     -4.11607122     -1.81502533     -1.95514214
  H     -1.00775255     -0.19845641      6.99257882
  O     -1.14867029     -3.11208703      4.28934209
  H     -3.83480813     -0.58974998     -1.05453693
  H      0.07518321      3.72499278      4.67915463
  O     -2.40393350     -4.46698412      2.20388867
  H     -1.71315451      3.08848690      1.14831633
  H      0.65009848      2.52839706      3.89272105
  O     -4.24846784      2.25652168      2.97714541
  H     -2.87615187      2.24206538      1.72157518
  H     -2.20748028     -1.74292934      3.63813023
  O     -0.80800874      4.55242365      1.81881269
  H     -4.83932262      1.20816550     -0.20896273
  H     -3.12227287     -0.49589007      3.86559065
  O     -1.35110775      4.03912939      5.95597052
  H     -3.35113143      1.58307542     -0.29847079
  H     -5.75169998      0.07789703      1.41820032
  O     -1.53436552      1.25232228      5.91766892
  H      0.33715723     -2.28393517      4.75489781
  H     -7.04481757      0.91304421      1.25740523
  O     -2.89793883      4.59007174      3.79670532
  H      1.84067632     -2.32053091      5.11660667
  H     -3.32535155     -2.76157050      6.51292089
  O     -0.69670565     -1.05721367      7.30747550
  H     -1.61882938     -3.24783473      5.12913735
  H     -1.90399915     -2.40514667      7.03294345
  O      0.58079450      3.49284271      3.89084203
  H     -1.49652224     -3.72603449      3.63253832
  H     -5.76987362     -2.35785163      6.26163790
  O     -2.70606662     -1.04663544      3.19177724
  H     -2.12055515     -3.81403251      1.53900432
  H     -4.95154869     -2.63062096      4.98104757
  O     -6.09354078      0.97751943      1.27632307
  H     -2.25763297     -5.32770406      1.82000915
  H     -1.15470867     -1.77763947      0.66781719
  O     -2.44246631     -3.11908736      6.65726850
  H     -4.23066281      1.68119325      3.75502719
  H     -2.30290613     -2.28128911     -0.21855542
  O     -4.98144457     -2.09468113      5.79284070
  H     -4.97230454      1.94444889      2.42077030
  H      0.75543340     -0.10257365      4.31695668
  O     -1.61223721     -2.57990983      0.38647759
  H     -0.23785379      4.18285310      2.51737211
  H      0.06388821      0.44333541      3.03912904
  O      0.37294410      0.69079545      3.92103419
  H     -0.31219479      5.24846237      1.39690925
  H     -3.20519547      0.71336325      5.54220799
  O     -4.02912356      0.47343591      5.09018742
  H     -1.40972045      4.73030548      6.60955570
  H     -4.38420858     -0.33833050      5.47364248
          69
 Ord_Energy   -249.008163    
 O   -1.99570239      -1.11268675     -0.114731200    
 H   -2.79953456     -0.582339406     -0.146594539    
 H   -1.41598415     -0.751998127     -0.806835830    
 O  -0.403545201       8.33232701E-02  -2.01934886    
 H   0.556245327      0.141182587      -1.93574333    
 H  -0.785744965      0.959509134      -1.88652849    
 O    2.42518640     -0.200497121      -2.12152004    
 H    2.36460757      -4.52239886E-02  -3.07485628    
 H    2.24869347      -1.13436401      -1.93272412    
 O   0.329106718      -1.86947215       1.08448184    
 H   0.227479249      -2.42534471       1.85371828    
 H  -0.567624390      -1.64882338      0.779668927    
 O   -1.87930405       2.77150154      -4.14251661    
 H   -1.96435726       2.69499135      -3.17906022    
 H  -0.946391523       2.94950652      -4.31013823    
 O   -2.63915300      -3.12469411      -2.01889658    
 H   -2.44861603      -2.60888696      -1.22646523    
 H   -3.22709203      -2.56114173      -2.54156804    
 O   -5.06118488       1.06770062      -6.23455572    
 H   -5.13004780      0.980593204      -7.18173313    
 H   -4.18417883      0.728638530      -5.98601818    
 O  -0.315667510      -3.75051379      -3.24110031    
 H  -0.321025550      -4.65192175      -3.55154705    
 H   -1.17522836      -3.59612465      -2.80864811    
 O   0.915833235       3.10032153      -4.22989845    
 H    1.10675144       3.17553067      -3.27817583    
 H    1.39854240       3.80315518      -4.65882254    
 O    3.33523703       1.53355587     -0.320933133    
 H    4.28363895       1.50559378     -0.234119430    
 H    3.09112978      0.866628885     -0.990715325    
 O  -0.459588557      -1.20420718      -4.46425629    
 H  -0.497379601     -0.738149047      -3.61331105    
 H  -0.366802692      -2.13678551      -4.23903322    
 O    1.61157775      -2.69133377      -1.39080215    
 H    1.17285836      -2.52763796     -0.547400832    
 H   0.963880002      -3.10192657      -1.97691178    
 O   -6.05402184       2.22004914      -2.20121479    
 H   -5.55255461       2.63102746      -2.92804980    
 H   -6.69985199       2.86181164      -1.91792214    
 O   -1.98862696       2.31498861      -1.46403909    
 H   -1.56753409       2.62288952     -0.651634991    
 H   -2.74075174       1.75221753      -1.23270357    
 O   -6.52161884      -1.52253397E-02  -4.00260830    
 H   -6.18599796      0.346775740      -4.83311939    
 H   -6.52735186      0.720217466      -3.37762308    
 O    1.09796858      0.906534016       1.30123830    
 H    1.94047606       1.05804622      0.853137672    
 H   0.916516006      -3.82508188E-02   1.25043678    
 O   -4.67380476       3.17666578      -4.34788656    
 H   -4.89266682       2.58864760      -5.08178997    
 H   -3.70908546       3.21552539      -4.32488585    
 O   -2.61872458      0.308508456      -5.22294998    
 H   -2.34518099       1.16656232      -4.86707926    
 H   -1.85753751     -0.282906026      -5.14735651    
 O    1.43901205       3.25953746      -1.55591726    
 H    2.17538977       2.77229309      -1.16539955    
 H   0.790471494       3.35083365     -0.849390745    
 O    1.85531271      0.414038986      -4.72904444    
 H    1.51115739       1.31283879      -4.65550327    
 H    1.08999717     -0.164751709      -4.84442806    
 O  -0.405802041       3.06068277      0.670323670    
 H  -0.460366875       3.63572335       1.42846549    
 H    8.05371404E-02   2.26545882      0.954122722    
 O   -4.09366989      0.558727026      -1.05209112    
 H   -4.05154467      -6.98564798E-02  -1.78897572    
 H   -4.83312416       1.14332914      -1.26206672    
 O   -4.10381031      -1.11831939      -3.28312254    
 H   -5.02226353     -0.912808776      -3.50998044    
 H   -3.55415440     -0.664143205      -3.93392134    
          69
 Energy    -249.00791898136049     
  O     -9.04808019     -3.01218839      6.22689473
  H     -9.19897685     -3.65098110      6.91937649
  H     -7.06728578     -0.47947089      4.17080017
  O     -9.00117910     -1.80596253      2.01401332
  H     -8.33513937     -2.42759700      6.54017393
  H     -7.07015646     -0.40779208      7.24184444
  O     -8.22539493     -3.99986123      3.65924669
  H     -8.58472856     -1.24100077      2.68440297
  H     -6.39410052     -1.40188538      6.28422865
  O     -5.61141732      0.77544264      0.91434794
  H     -9.94494495     -1.62097760      2.07813815
  H     -1.47182056      2.71348850      2.69625468
  O     -7.14590223      1.52930411      7.32688006
  H     -8.50296260     -3.72196116      4.54052154
  H     -2.89084125      2.94411760      2.11765390
  O     -5.70049565      5.19653237      2.04084233
  H     -8.61673504     -3.36147171      3.04951898
  H    -10.02878385      2.70691447      4.89606432
  O    -10.82981268     -0.95958383      5.46318580
  H     -6.46116999      1.21298547      1.07613933
  H    -10.96214891      3.94380285      4.88508511
  O     -5.50079079     -1.26594218      4.74194930
  H     -5.82942650     -0.13694715      0.69040398
  H     -9.89308913      1.68251312      1.82035522
  O     -4.05428686      3.16435249      0.83360899
  H     -6.64882396      1.94650334      6.60291210
  H    -10.79140110      2.32919092      2.87638883
  O    -11.57778724     -0.89528942      2.66882938
  H     -6.88701185      1.97635125      8.12889668
  H     -6.50091931     -3.65114703      3.16620310
  O     -4.45032574      0.93272605      3.47478880
  H     -5.96025834      6.03296820      1.66179205
  H     -5.86258939     -2.83987886      2.01936845
  O     -7.83972921     -0.05201602      3.77944722
  H     -6.47365013      4.85674874      2.52065692
  H     -7.54093451     -1.84319856      0.93536716
  O     -7.05455434     -1.33670733      6.99147316
  H    -10.29714253     -1.73680437      5.67755649
  H     -6.76882473     -2.33425480     -0.30648787
  O     -2.39079454      2.78280844      2.93909352
  H    -11.11731569     -1.04951005      4.54707498
  H     -8.76705930      1.33134395      6.41988407
  O    -10.30984295      3.47769621      4.36894488
  H     -4.95641581     -0.56076166      4.36917221
  H     -9.96889898      0.51784556      5.77115441
  O    -10.78932143      1.66214188      2.18058627
  H     -5.46967527     -2.01584814      4.12778495
  H     -3.37343242      4.05241821      3.99788901
  O     -5.67392533     -3.23503269      2.87669613
  H     -4.56821865      2.35890737      0.69000924
  H     -4.54174591      4.96482828      3.60684662
  O     -6.67004639     -1.84031709      0.50456454
  H     -4.67118081      3.84429500      1.13271263
  H     -5.48590093      1.97196283      4.60240590
  O     -9.42544396      1.32092146      5.71582882
  H    -12.45750974     -1.04087711      2.33095182
  H     -5.24820344      3.41301460      5.08220347
  O     -4.07896397      4.59784676      4.37001266
  H    -11.35613448      0.03476186      2.48256512
  H     -7.88271686      2.65751160      2.24140273
  O     -5.85957037      2.66539890      5.16363578
  H     -3.65202133      1.46531773      3.37777039
  H     -7.92024188      1.13067608      2.45606876
  O     -7.99308231      1.81952839      1.77487462
  H     -4.83334201      0.83352322      2.59209841
  H     -8.60772824      3.96203531      3.81285594
  O     -7.69293279      4.00122774      3.50727695
  H     -8.36351647      0.34936287      4.48221819
  H     -7.14792814      3.51944338      4.14671146
          69
 Energy    -249.00790929097275     
  O     10.71648883      8.38523898     -8.85274313
  H     10.61406850      9.09555631     -9.50925604
  H     13.36080220     12.41824709    -13.26413215
  O     12.29842619      6.97714090    -10.82563158
  H      9.83736508      8.13444436     -8.57972013
  H     18.26888483     11.63475340    -11.35441586
  O     14.59649758      9.58756592    -14.15917874
  H     13.20221551      7.21374355    -10.56763026
  H     17.17917295     11.16124682    -10.36258653
  O     12.16840167     12.33145381     -7.14988051
  H     11.72948968      7.31294270    -10.12513548
  H     15.99975777      8.88242404    -13.01153087
  O     13.10173423     11.09885249    -15.94889022
  H     14.20646370     10.04329743    -14.91909546
  H     16.95760203      9.49223574    -11.96533532
  O     12.37442920      8.15853149    -13.28478664
  H     13.89773359      9.01824229    -13.80591988
  H     11.14937889     15.24418958    -11.66136673
  O     15.40069049      8.76651327     -7.56974267
  H     12.24129520     12.86064859     -6.35940085
  H     11.30997531     13.94194592    -10.84219120
  O     13.50378488     10.51224344    -10.61166758
  H     12.97543990     12.49287178     -7.67112497
  H     15.46258341      8.16702883    -10.87310079
  O     12.80453241      9.52305534     -7.27639560
  H     12.27409092     10.65653045    -16.17372047
  H     15.12964269      8.18781506     -9.33137558
  O     14.44702195     14.22080756    -10.99609100
  H     12.85704479     11.79504095    -15.32697908
  H     11.30748252     11.20442576    -13.50144699
  O     10.76514469     10.39448609    -10.70371391
  H     11.78936311      8.92593906    -13.24506517
  H     10.49059653     10.22760074    -14.38157943
  O     12.46518913     12.61401649    -13.56791739
  H     12.30756954      7.68757158    -12.44169321
  H     13.96006144     11.75978280     -9.36028730
  O     17.39809579     11.24936890    -11.30758218
  H     15.64880287      8.22414205     -6.82586658
  H     14.37773776     13.24447005     -9.47720064
  O     16.52258319      8.67173114    -12.22750814
  H     14.47638604      9.03794486     -7.42307551
  H     15.87973768     11.71432467    -12.19153133
  O     11.67310270     14.45060625    -11.58893208
  H     13.99720533     10.93653708    -11.32335914
  H     14.92001900     11.04937874    -13.21303616
  O     14.76213856      8.05721095    -10.21299439
  H     13.90393028      9.64494058    -10.46100051
  H     10.90405428      8.80890534    -16.14320327
  O     10.71391948     10.43946568    -13.46722344
  H     12.09867626      9.07573816     -7.75943058
  H      9.91607144      9.73090413    -16.89594758
  O     14.26952398     12.52055205     -8.84446861
  H     12.51522260     10.43476788     -7.15614086
  H     15.91076368     11.67482617     -8.63628882
  O     15.01674963     11.81073128    -12.61820301
  H     13.52464091     14.41693636    -11.20925001
  H     16.34472864     10.24522150     -8.28054961
  O     10.57278671      9.72215721    -16.20488102
  H     14.73738325     13.57835013    -11.65204628
  H     10.57642796     12.05762205     -9.93543369
  O     16.64407497     11.05011050     -8.71986752
  H     11.73499257     10.44168651    -10.66436426
  H     11.09190154     12.79723865     -8.68792723
  O     10.70079424     12.93906506     -9.55705282
  H     10.53173783     10.37908083    -11.64029115
  H     12.20976384      6.57923999    -16.11198015
  O     11.62944670      7.25487281    -15.77131117
  H     12.12188184     13.29354462    -12.97347618
  H     11.92756771      7.43461414    -14.86400071
          69
 Energy    -249.00785397979857     
  O     13.56250760     11.10854304     -8.51350496
  H     14.24717746     11.76148677     -8.74972253
  H     16.22181893     13.81377495    -17.71148627
  O     11.47213071     11.63553122    -15.46835085
  H     13.59523176     11.00269829     -7.56692873
  H     13.46541632     14.52446163    -11.17797351
  O     14.29175070      9.06015090    -10.41769610
  H     11.33475980     12.38128625    -14.86631516
  H     12.50232941     13.27307773    -11.11906534
  O     18.49260267     13.21789663    -13.20056313
  H     11.88070960     12.00070085    -16.26232070
  H     11.81956422     14.78770080    -15.06524926
  O     11.73068158     11.70739791    -10.52526392
  H     13.53290213      9.07757620    -11.01687514
  H     12.47480468     14.46967686    -16.42363137
  O     12.22895928      9.57614044    -12.23565195
  H     14.08443362      9.67837815     -9.70821972
  H     15.43996258     12.30439565    -12.52196246
  O     13.73704422     10.37383088    -14.41773800
  H     18.14688859     12.76915060    -13.99451089
  H     14.04833573     13.01112699    -12.56863541
  O     14.96219416     15.41176931    -10.51513479
  H     19.43697897     13.28331631    -13.31210388
  H     16.87500584     12.22493459    -15.98847866
  O      9.89271045     10.09142588    -13.62076862
  H     11.92760961     10.98746641    -11.14450601
  H     17.14773010     11.01980535    -15.05788364
  O     15.04365158     14.66738525    -14.84847122
  H     12.23747160     11.52072662     -9.72512469
  H     13.86195036     12.94702729    -17.45061991
  O     10.97830772     13.78031557    -13.70019724
  H     11.35182890      9.55529196    -12.64262550
  H     12.74056321     12.83115975    -18.50314608
  O     15.65156902     13.31667673    -17.12884647
  H     12.84220223      9.76701574    -12.95959911
  H     15.83737694      9.00230208    -11.19937541
  O     12.83151638     13.99356354    -11.67527294
  H     12.95480525     10.69801756    -14.88076012
  H     17.21607763      8.31202375    -11.31301769
  O     12.46514316     15.11392238    -15.70598522
  H     14.13034856     11.14911642    -13.98546356
  H     16.52212772      9.25974328    -13.54603507
  O     14.70908058     12.55092412    -13.10246665
  H     14.99723261     16.28584206    -10.13577723
  H     15.43607454      9.65423624    -14.56302469
  O     17.47527371     11.89616407    -15.31434625
  H     15.59100439     15.40696486    -11.25907147
  H     17.53344685     12.23737303    -11.97238976
  O     12.89968839     12.91287359    -17.56537140
  H     10.31382298     10.51056432    -14.38301379
  H     16.91710297     10.86470265    -11.52182265
  O     16.70413662      9.04597220    -11.64216792
  H      9.53702390     10.81248715    -13.08785656
  H     10.11946051     12.13524528    -11.28570896
  O     16.38841743      9.51326338    -14.46630294
  H     14.96084435     13.89301776    -14.26989905
  H      8.61410740     12.47964248    -11.28104852
  O     16.84469979     11.82439062    -11.43593951
  H     14.14884566     14.95781317    -15.07896971
  H     17.34530306     14.70926649    -12.77830698
  O      9.35976397     12.33276657    -11.85784182
  H     10.24882470     13.40518818    -13.19375851
  H     16.11901634     15.32358783    -13.46631197
  O     16.64347514     15.35905809    -12.65453614
  H     11.66576412     13.97080174    -13.04404858
  H     15.29120667     13.79041826     -9.58825351
  O     15.42086605     12.87676909     -9.31102652
  H     15.51600468     13.86724660    -16.33685189
  H     15.99455498     12.48034408     -9.98272767
          69
 Energy    -249.00784184923026     
  O     12.07789491     11.40191219    -10.67632658
  H     12.52558129     10.57912861    -10.42427074
  H     15.15796635      5.85146675    -17.79931431
  O     13.74252536      7.30795177    -15.34797110
  H     11.15329976     11.25920079    -10.48557055
  H     17.30219335      7.07038968    -17.04258347
  O     18.13141063     10.25358890    -11.06074957
  H     13.40639366      6.63459298    -14.74142536
  H     18.59947484      7.26810348    -16.19962866
  O     17.86495771      9.96974789    -17.98372398
  H     13.24119967      8.12081630    -15.19048641
  H     14.42927132     12.22213275    -14.57825250
  O     12.47538798      9.68778111    -14.73589730
  H     17.18845326     10.28830598    -11.30041901
  H     14.32018196     11.87335905    -16.07247265
  O     15.11549965      6.90163889     -9.43438110
  H     18.31543638     11.04226478    -10.55694226
  H     15.16188065      8.12398734    -14.51454944
  O     12.81668459      5.52171702    -13.43734466
  H     18.58267538     10.25369575    -18.54231242
  H     16.32209671      9.18027448    -14.59651176
  O     15.52882539     10.07197372    -11.83032834
  H     18.06771120      9.05972098    -17.69664038
  H     18.18206976      6.46104761    -13.43269102
  O     15.11913959      9.33607701    -18.29554267
  H     12.55914685     10.07834117    -15.61590013
  H     16.83978199      7.18742847    -13.29736503
  O     14.98829579      5.39550205    -11.87167894
  H     12.83939385     10.34392279    -14.12428681
  H     12.10092419      7.14527653    -12.74984747
  O     17.12982040     10.61728122    -15.34961141
  H     16.01836088      7.16777011     -9.68731252
  H     11.92477612      8.60282495    -13.22724394
  O     15.45322013      6.64603996    -17.36124035
  H     15.18198821      6.49487658     -8.57435095
  H     18.91254848      9.87363755    -12.76090410
  O     18.18191451      7.46717767    -17.04599459
  H     12.36015381      4.68561330    -13.41808059
  H     18.52650867     10.11561270    -14.23648449
  O     14.91942175     12.23900480    -15.41108385
  H     13.59958737      5.43168064    -12.86297265
  H     19.45941050      8.04515343    -14.22684484
  O     15.90964905      8.50400902    -14.04053977
  H     15.63904321      9.47683458    -12.58749027
  H     20.47932777      6.92513625    -14.54199351
  O     17.36338883      6.46024323    -12.92473702
  H     14.84076757      9.69454545    -11.26538410
  H     17.62364830      7.12255563    -11.20105491
  O     11.89734067      8.03783818    -12.44550039
  H     16.02626373      9.66620849    -18.29623503
  H     17.87907189      8.45514499    -10.47085063
  O     19.16407538      9.66248548    -13.66735551
  H     15.18893952      8.39704874    -18.08800957
  H     12.64974306     11.24356275    -17.91354226
  O     19.54873492      7.13206634    -14.55770489
  H     15.84853205      5.60688901    -12.25853922
  H     13.83376975     10.29250780    -17.62385522
  O     17.58540071      7.54726291    -10.33297516
  H     14.96449200      5.83499943    -11.01359060
  H     13.92216042      8.23789410     -9.96568961
  O     13.14313746     10.83709223    -17.20602768
  H     17.40849257     10.48898083    -16.26414871
  H     12.87807038      8.58344139    -11.07911491
  O     13.43618130      8.96097489    -10.37925694
  H     16.41162313     11.26737187    -15.35297084
  H     12.94903513     11.73120903    -12.27895186
  O     13.56001837     11.62867401    -13.02057470
  H     14.81564280      6.82690437    -16.65014529
  H     14.34499126     11.20490329    -12.64529212
          69
 Energy    -249.00774964284358     
  O     12.86756862     13.20409864    -15.26446038
  H     12.08955602     13.73559705    -15.41448999
  H     14.56339602      7.21735857    -16.17337594
  O     16.69376074      6.25622524    -14.09304422
  H     12.76413410     12.40052973    -15.80098090
  H     16.37466412      9.87737836    -14.49032377
  O     18.24366547     10.20938875    -11.54488353
  H     15.81846677      5.87947332    -13.94280958
  H     17.74433996     10.50755978    -14.84787493
  O     16.68962869     13.46558752    -13.67077273
  H     16.67816043      6.62062951    -14.98673044
  H     16.18270356      9.15625977    -19.81592590
  O     14.00086716      5.31557405    -13.75875567
  H     17.53418492     10.40316624    -10.92196120
  H     15.73615417      9.79397688    -18.48003735
  O     16.03398568     10.53896890     -9.66634862
  H     18.21180272      9.26006701    -11.71884149
  H     14.88743894     10.67269473    -13.03453940
  O     13.24032854      6.81999584    -11.64236217
  H     17.46975088     12.90375850    -13.72611304
  H     15.26068409      9.26259654    -12.43460039
  O     14.31296465     12.39724079    -12.93589309
  H     16.42259495     13.65930231    -14.58195955
  H     12.73851333     10.14689944    -17.28210916
  O     12.98293852      8.61930529    -18.25140726
  H     13.68407548      5.83701743    -12.99962948
  H     12.73277515     10.27285901    -15.74924148
  O     15.56666525      8.11864826    -10.93399839
  H     13.76286116      4.40847218    -13.58611089
  H     18.70390600      6.77899912    -11.76030624
  O     16.33070547      7.65656849    -16.52311564
  H     15.13923628     10.79994532     -9.95059661
  H     17.58923000      6.99370511    -12.80826162
  O     13.64254508      6.97702063    -15.99466060
  H     16.15962439     10.90399262     -8.79456929
  H     11.96490133      9.21025882    -12.80894417
  O     17.01947231      9.98319602    -15.20706883
  H     12.60335224      7.54223095    -11.63776746
  H     10.75742032      9.35422509    -11.85668874
  O     15.75615803      8.96269492    -18.98525919
  H     14.05957990      7.20187752    -11.29394898
  H     18.66999727     11.12077284    -12.95427024
  O     15.13668947      9.76148691    -13.24946900
  H     13.73923731     12.68430788    -13.65464574
  H     19.76662878     11.81295518    -13.80034943
  O     12.81803098     10.79020288    -16.56317610
  H     15.17379944     12.82274042    -13.08040462
  H     14.62400749     11.01931148    -17.00274390
  O     18.01780202      7.38574214    -12.02611888
  H     13.04898129      7.93339554    -17.57391673
  H     16.09151185     10.78868448    -16.53465010
  O     11.70538118      9.24453788    -11.87269497
  H     13.85288459      8.65319941    -18.66724037
  H     12.91825748     10.47465362    -10.93219117
  O     18.84564149     11.56735779    -13.80246876
  H     16.42401733      7.77097468    -11.21257883
  H     13.72945977     11.71834150    -11.35407888
  O     15.54883266     11.10718272    -17.27152662
  H     15.73376084      8.85547775    -10.33206907
  H     15.67135893     12.96912915    -16.72692745
  O     13.56020621     11.11815681    -10.61239742
  H     16.23673788      7.91863449    -17.44632565
  H     14.63432552     13.75748421    -15.92536579
  O     15.55660487     13.77452223    -16.20815271
  H     16.65895526      8.44155196    -16.05803992
  H     12.93380491      8.29863229    -14.95530447
  O     12.77435214      9.07364964    -14.40040709
  H     13.67226768      6.29798351    -15.30855322
  H     13.63138532      9.29228704    -14.00086023
          69
 Ord_Energy   -249.007263    
 O    3.05967855       10.9555321      -9.65921021    
 H    3.61821485       11.7434053      -9.66274357    
 H    2.22535205       11.2247992      -9.24971199    
 O    1.86984539       6.49391413      -9.61686897    
 H    2.28108311       7.13711309      -9.01720047    
 H    1.09194267       6.12904835      -9.18039417    
 O   -1.59677017       8.22176552      -7.79927969    
 H   -1.27991593       7.34387064      -8.04105186    
 H  -0.855633914       8.68889523      -7.39448786    
 O    2.16846967       8.38648033      -13.3595285    
 H    1.55080414       8.20699120      -14.0770416    
 H    2.46024823       7.52746916      -13.0168171    
 O  -0.941122770       10.6968832      -10.3433075    
 H  -0.446408808       9.89104557      -10.5629053    
 H   -1.81991291       10.4226799      -10.0575600    
 O    2.58603835       10.9300900      -12.4308052    
 H    2.59985137       10.0519619      -12.8339701    
 H    2.75150704       10.8222885      -11.4835825    
 O  -0.744627953       5.68539047      -8.79758739    
 H   -1.09735596       4.83955193      -8.53263569    
 H   -1.03120124       5.83599091      -9.71489334    
 O   -1.33430338       9.59418297      -13.9154110    
 H  -0.970291555       10.4219685      -13.5851908    
 H   -2.00522494       9.29634190      -13.2836437    
 O   -1.29549170       6.39024830      -11.3957815    
 H  -0.736596406       7.17939520      -11.3137255    
 H  -0.957621515       5.90450716      -12.1582003    
 O    4.27687502       13.4972343      -9.92515469    
 H    4.08314323       13.5805092      -10.8763552    
 H    5.12361717       13.9093275      -9.77868748    
 O   0.729655743       14.4624043      -12.1717386    
 H   0.186232477       15.1029539      -12.6236010    
 H   0.369997859       13.5871763      -12.3927107    
 O   -3.30878377       9.55528641      -9.41265678    
 H   -4.06241274       9.85397434      -8.91145420    
 H   -2.74656773       9.04566193      -8.80085373    
 O   -3.50019187E-02   5.32598734      -13.6595469    
 H  -0.168786317       4.57957029      -14.2388496    
 H   -1.93734802E-02   6.11664009      -14.2233171    
 O    2.75817943       8.57892609      -8.13553524    
 H    3.03166270       9.33300495      -8.67410755    
 H    2.06016278       8.90721989      -7.55616713    
 O    2.50655556       5.88958073      -12.2940540    
 H    2.36338234       5.98524904      -11.3414001    
 H    1.68970227       5.53395414      -12.6611509    
 O   -3.41764912E-02   11.8570766      -12.6525583    
 H   0.875768363       11.5234480      -12.6450377    
 H  -0.446783394       11.5451899      -11.8328009    
 O    6.19830899E-02   7.68366957      -15.1392212    
 H    5.67227602E-02   7.85573196      -16.0767956    
 H  -0.487354547       8.37556076      -14.7235708    
 O   -3.09450722       8.48181152      -12.0607977    
 H   -2.65773892       7.64187670      -11.8713779    
 H   -3.30109429       8.85810661      -11.1971922    
 O   0.661133587       11.8139505      -8.43801880    
 H    3.39534916E-02   11.4874277      -9.10053349    
 H   0.888284147       12.7254601      -8.67196369    
 O   0.511431456       8.47682571      -11.0553751    
 H    1.02776527       7.89853668      -10.4778862    
 H    1.00843978       8.55503082      -11.8791637    
 O    1.53024137       14.2135229      -9.41283607    
 H    2.48510218       14.0943995      -9.48982143    
 H    1.21216798       14.3787842      -10.3090267    
 O    3.44668198       13.5866737      -12.5086555    
 H    2.58753085       14.0261097      -12.5026579    
 H    3.25389028       12.6475592      -12.6458960    
 O   0.560723364       9.73051929      -6.69341993    
 H   0.617223859       10.0126209      -5.78363895    
 H   0.587737262       10.5370750      -7.23750448    
          69
 Energy    -249.00694995352774     
  O     19.41995328     10.04895423    -14.53018602
  H     18.75424530      9.74262081    -15.15550243
  H     20.41387388      4.71321656    -13.48320020
  O     21.44004765      6.72526475    -11.30955005
  H     19.99532879      9.28708473    -14.36260376
  H     14.26475167      9.43849587    -14.66781656
  O     15.24014273      8.28068835    -10.45939229
  H     21.00310932      5.92048716    -11.64249197
  H     15.64489498      9.35712833    -13.96932274
  O     12.57441736      9.89147736    -14.04419741
  H     22.24792103      6.44115178    -10.88958780
  H     18.89637826      7.42827611    -13.22973467
  O     17.43339407      8.92142480    -16.32228626
  H     14.80514852      7.49558239    -10.82427018
  H     17.53311853      8.09386840    -12.87480583
  O     11.76259542      7.13381296    -14.17717757
  H     16.08451572      7.95765881    -10.11595098
  H     15.25545353      5.83319123    -14.37344799
  O     17.71419845      7.06421855    -10.12147023
  H     12.06277700     10.68637397    -14.16834389
  H     14.75424197      7.29983646    -14.48006221
  O     14.09489585      5.97748002    -11.53864243
  H     12.65596637      9.75869157    -13.08217863
  H     19.88872922      5.62690122    -15.73591716
  O     16.36904147      4.63528105    -10.51337611
  H     16.58839020      8.98558048    -15.84824322
  H     21.27329914      4.96791559    -15.94363784
  O     17.78233243      3.23568460    -12.33110650
  H     17.29320752      9.32483123    -17.17665849
  H     12.21533049      8.51383694    -11.28310092
  O     20.70012774      7.73194347    -13.79781059
  H     11.90566691      8.08327236    -14.27596474
  H     13.58106965      9.13822402    -10.93723236
  O     20.29778069      4.58019429    -12.53432923
  H     12.62487762      6.72715333    -14.34255073
  H     19.66041165      9.44343320    -10.67953625
  O     15.16129712      9.09628280    -14.77003733
  H     18.43568334      7.64677731     -9.84949097
  H     20.45665571      8.13230842    -10.45388034
  O     17.99818133      7.24919610    -12.92772545
  H     17.81455115      6.98676857    -11.08136254
  H     19.27075150     11.69398693    -11.79881495
  O     14.47580806      6.39698844    -14.27686578
  H     14.24522813      6.09639713    -12.48737017
  H     19.19286619     10.60306064    -12.89400992
  O     20.71048009      5.36305714    -15.28366444
  H     13.14911383      6.10211349    -11.39488182
  H     17.27790150      5.86800542    -13.75460058
  O     12.74671287      9.31357653    -11.38896012
  H     15.52149940      4.98770799    -10.81475547
  H     17.13739309      4.33233351    -13.71550738
  O     19.87004090      8.76787107    -10.02375336
  H     16.86586194      5.39194425    -10.17454892
  H     17.77163631      5.72348969    -15.73426148
  O     19.00813730     10.79050998    -11.95575872
  H     17.68206429      2.30127078    -12.17192540
  H     18.07770706      7.10337764    -16.36133756
  O     16.90427106      5.10982192    -14.23479665
  H     17.27426757      3.69416847    -11.63666598
  H     11.41459965      6.85472572    -12.47572288
  O     18.36991104      6.18506759    -16.33954360
  H     21.09226582      7.49896936    -12.94620577
  H     10.53966998      6.43270203    -11.26875106
  O     11.39331941      6.78494448    -11.50399187
  H     20.81274211      6.96594593    -14.37570379
  H     17.29724704     10.12130799    -12.18951604
  O     16.53652210      9.61207527    -12.49476647
  H     19.46771836      4.10175291    -12.42468799
  H     16.07189168      9.24885529    -11.72721747
          69
 Energy    -249.00694329162786     
  O     16.71865266     11.18334021    -11.61084763
  H     17.21081150     10.93584214    -12.40730419
  H     16.05658623      7.53221737    -16.40459043
  O     14.61795560      7.04984272    -15.28243543
  H     16.93807942     10.52620695    -10.94303802
  H     16.85598572      3.88322459    -12.26023408
  O     14.06184224      5.54712656    -10.92877043
  H     14.46584089      6.22471040    -14.80198251
  H     17.27426281      2.84892076    -13.33693868
  O     18.48354782      6.69914265    -10.35430112
  H     13.85779167      7.62593004    -15.12176364
  H     16.93560966      7.30590049    -13.15041772
  O     16.52745569     10.74595143    -16.40917725
  H     13.11350834      5.45942217    -10.77344206
  H     15.67665067      7.69005567    -13.97810398
  O     10.52706772      7.85833786    -11.69658118
  H     14.28711167      6.48466397    -10.84004417
  H     15.11373615     11.67005452    -12.09891994
  O     12.54953699      8.76777398    -14.58745756
  H     18.51496890      6.55044539    -11.31609479
  H     14.10780974     12.84056644    -12.18167718
  O     14.85521044      8.17571062    -10.88671158
  H     19.32573084      6.40728382    -10.01186559
  H     11.39360763      4.89186369    -12.65945583
  O     19.05593757      7.77054324    -15.08100450
  H     16.60348201     11.40973007    -17.08913991
  H     12.46010232      4.71838460    -13.75868730
  O     10.28496515      7.13210804    -14.46804206
  H     15.65090614     10.86203902    -16.00050877
  H     13.53942265     10.27968580    -15.09905079
  O     18.38554798      6.18279732    -13.01512690
  H     10.30396546      7.71642786    -12.62496365
  H     14.19095076     11.38775996    -14.24513730
  O     16.86456467      7.90761795    -16.77786664
  H     11.19647671      8.55544681    -11.68332120
  H     17.15490009      5.17886403    -10.35854830
  O     16.96476843      3.74323575    -13.21891884
  H     11.72579220      8.27291698    -14.67583592
  H     15.68470146      4.75727472    -10.58967473
  O     16.21076255      7.94099473    -13.21250177
  H     12.61906939      9.02093062    -13.65589261
  H     15.19953005      4.35775673    -13.65590333
  O     14.22711736     11.92283286    -12.41201933
  H     15.30599450      8.12707874    -11.74716176
  H     14.24835865      5.11026871    -12.70600544
  O     11.51642926      4.86479153    -13.61664610
  H     15.50864241      8.52603960    -10.27246536
  H     10.64199715      5.07993139    -10.17025344
  O     14.16002976     11.01847327    -15.13581271
  H     18.94225680      8.65052796    -14.70451991
  H     10.98161911      6.31120005    -11.04518425
  O     16.59773741      4.43464679    -10.60823102
  H     18.36872489      7.70414416    -15.76226864
  H     13.10705703     10.47786163    -12.03898185
  O     14.35299481      4.81763483    -13.62344921
  H     10.71152998      6.28480216    -14.24604509
  H     13.42012848      9.08205788    -11.46874882
  O     11.27370309      5.41428910    -10.80096687
  H      9.55107192      6.93037995    -15.04175207
  H     17.47220233      9.29453648     -8.73658310
  O     12.73158734      9.59751721    -11.91319457
  H     18.00561460      5.33585375    -13.27530417
  H     17.67580665      8.27024172     -9.87388876
  O     17.19332447      9.07371894     -9.62232163
  H     18.73646922      6.63948431    -13.79695701
  H     17.46038700     10.45804169    -14.80803199
  O     17.79121104     10.13644808    -13.95913810
  H     16.73352198      8.86407816    -16.77176613
  H     17.21323600      9.39598850    -13.71798152
          69
 Energy    -249.00678397358948     
  O      1.38968556     -0.65551713      5.07729163
  H      1.01429021      0.22786310      4.96772395
  H     -4.04186694     -2.07469446      3.78500543
  O      1.93453239     -0.78096126     -2.74802802
  H      0.72914543     -1.14865822      5.57823747
  H     -1.49749894      0.82448667      1.60895128
  O     -0.80116418     -1.85066493      6.49744874
  H      2.24495857     -0.58344152     -3.62718924
  H     -1.05085163      1.05940047      0.14684328
  O     -0.03167365     -0.09589788     -0.84547223
  H      2.68618537     -0.64211144     -2.14432629
  H     -3.38706269     -0.45442186      5.50247970
  O      1.46378058     -3.31167942     -1.41453460
  H     -1.49601422     -1.17469936      6.41538519
  H     -2.77567919      0.89896206      5.88104554
  O      3.52632257     -2.96128257      0.61938739
  H     -0.72619403     -2.04856533      7.42798837
  H      0.69344519      3.83985850      1.73582716
  O     -3.68652929      2.23108494      2.38310964
  H     -0.39958739     -0.96281890     -0.61907273
  H     -0.12268244      2.53062678      1.58565544
  O     -3.74902027     -3.78368166      3.17130787
  H      0.54366232     -0.23157463     -1.60797236
  H     -1.01665580      0.23999499      3.62933515
  O     -0.08282352      1.67109612      4.44595027
  H      2.14315019     -3.27893332     -0.72987279
  H     -2.34696446     -0.55038290      3.38463441
  O      3.82192688     -0.50372890     -0.81236024
  H      1.63642502     -2.55738576     -1.99069936
  H     -0.63542271     -2.72019945      0.74257722
  O     -5.05879757     -0.12003910      1.54239725
  H      4.13054665     -3.64336927      0.90266579
  H     -0.19229858     -3.02823962     -0.70315544
  O     -4.08009910     -1.12648270      3.96916594
  H      3.21640708     -2.51625027      1.42565838
  H      2.34927822     -0.69967563      2.15298003
  O     -1.40802361      1.50760565      0.92462199
  H     -4.26652301      1.50786813      2.11442101
  H      2.22741972     -1.24471695      3.60353685
  O     -2.80406800     -0.02619350      6.14692822
  H     -2.94350638      2.18230422      1.76702259
  H     -3.09042903      3.37011390      5.28496904
  O      0.64808611      2.93214445      2.02474316
  H     -2.91343306     -3.87034085      3.66528524
  H     -3.09299878      2.46312362      4.03488805
  O     -1.49142493     -0.32152851      3.00287655
  H     -4.21290043     -4.61038733      3.27033118
  H      1.27265264      0.36022287      0.39622730
  O     -0.91588221     -2.65077029     -0.18289772
  H     -0.91510961      2.08716707      4.70697179
  H      1.70213407      1.48558785      1.37049119
  O      2.49211338     -1.48438926      2.70245160
  H      0.26104043      2.17961469      3.70032572
  H     -1.21817125     -3.20494307      5.23205758
  O     -2.69768745      2.58320735      4.91606330
  H      3.35229186      0.05094096     -0.17457663
  H     -0.82842010     -3.51950123      3.77431140
  O      1.98284556      0.64729871      0.98868042
  H      3.89633562     -1.36813478     -0.38787149
  H     -0.57463777     -1.79019690      2.63382494
  O     -1.40896518     -3.79951424      4.49698063
  H     -5.89605185     -0.17088063      1.08895636
  H      0.87016120     -2.32404336      2.50671406
  O     -0.05509117     -2.58042686      2.41607906
  H     -4.49751072     -0.82256157      1.16561763
  H     -2.71024913     -2.38727618      0.29175414
  O     -3.55038615     -2.22966905      0.74061645
  H     -4.56095355     -0.72604019      3.23419908
  H     -3.58499309     -2.85346621      1.47633469
          69
 Ord_Energy   -249.006775    
 O   -4.79578638       3.62024307       10.4024830    
 H   -5.02281380       2.67268491       10.3906908    
 H   -5.35856152       4.03038120       11.0539427    
 O   -3.02786922       1.12928450       8.48367023    
 H   -3.83287001      0.959184706       8.98768234    
 H   -2.55014682       1.80320835       8.98205185    
 O   -6.73452377       9.84525234E-02   8.10096169    
 H   -6.72623920      0.809753954       7.44524574    
 H   -6.32845736     -0.664721310       7.67364359    
 O   -2.04444337       2.96324396       10.3850527    
 H   -1.44841087       3.61508489       9.99501801    
 H   -2.91816759       3.36126494       10.4812098    
 O   -1.30232418      0.464040726       11.4248695    
 H   -1.56497455       1.36494768       11.1899271    
 H   -2.10322595      -7.17023835E-02   11.4001589    
 O   -1.95964968       3.77776742       6.85320377    
 H   -1.55242050       2.94273758       6.58498383    
 H   -1.37553394       4.17342043       7.51149893    
 O   -6.03619242       3.64774060       3.94871736    
 H   -5.23959255       3.48071170       3.42946172    
 H   -5.88417196       4.49268818       4.38989925    
 O   -6.21654797       2.19845200       6.26959562    
 H   -6.30654716       2.61001801       5.39724922    
 H   -5.72395658       2.83154202       6.80925608    
 O   -2.19066811       1.21607542       3.94532299    
 H   -2.59774184       1.92211282       3.43050599    
 H   -2.87963128      0.899604976       4.54674435    
 O   -5.10677433      -1.86562085       6.74028158    
 H   -4.67958975      -1.07989764       6.35857010    
 H   -5.33393860      -2.43569303       6.00965023    
 O   -4.03303957      0.535240114       5.95064735    
 H   -3.57085872      0.778809607       6.76489401    
 H   -4.82180214       1.09469223       5.92179012    
 O  -0.229491249       4.53685141       8.95221615    
 H   0.319368690       3.75948381       8.73265076    
 H   0.363395333       5.27402163       9.06460094    
 O   -4.62827826       4.10724163       7.61885977    
 H   -3.71049380       3.91205668       7.37694836    
 H   -4.70707560       4.01417017       8.57483006    
 O   0.824549794      -7.03064427E-02   9.83953953    
 H   0.104592077       9.79563817E-02   10.4740362    
 H    1.50058293     -0.551755309       10.3084574    
 O  -0.567752957       1.42253256       6.11883020    
 H  -0.711253285      0.581377625       6.57073212    
 H  -0.989799201       1.34902513       5.24932241    
 O   -3.47416043       3.42312908       2.66323662    
 H   -3.14201832       4.09641933       3.28352022    
 H   -3.25816846       3.72916317       1.78595638    
 O   -3.70344663      -1.14744723       11.2148542    
 H   -3.53854823      -1.61924505       10.3782740    
 H   -3.88131142      -1.81332135       11.8740864    
 O   -2.73019218       5.23482370       4.55233479    
 H   -3.55664396       5.62612343       4.86169767    
 H   -2.35929561       4.76736355       5.31267214    
 O   -3.23279428      -2.33291197       8.82882690    
 H   -3.90344334      -2.28100967       8.13670349    
 H   -2.41697001      -1.99255979       8.43865204    
 O   -5.25712538      0.950962663       10.2060223    
 H   -5.87578773      0.608894527       9.54069614    
 H   -4.83913040      0.207563028       10.6585836    
 O   -1.09417212     -0.752945364       7.88392639    
 H  -0.362008959     -0.655724585       8.50634766    
 H   -1.77754581     -0.126690239       8.17346954    
 O    1.04557848       2.29060817       8.24328899    
 H    1.06669593       1.51094782       8.81099606    
 H   0.637596071       2.01151586       7.41144466    
 O   -5.29371452       5.89401579       5.62078810    
 H   -5.78696489       6.64840555       5.93230629    
 H   -5.12205887       5.33133268       6.39446020    
          69
 Energy    -249.00651619318268     
  O     12.46620026     12.53741574    -12.96349158
  H     12.20768318     13.41252421    -12.68466033
  H     16.49205368      5.88425335    -13.82980284
  O     18.96880984      9.32480493    -12.20911861
  H     13.32401425     12.62826390    -13.41014358
  H     13.38299330      9.82242988    -16.64280468
  O     15.50298788     10.00216411    -11.22523202
  H     18.86780023      9.62829855    -13.11866387
  H     12.27443071     10.83315965    -16.31293639
  O     11.08530202     10.94483006    -14.95034478
  H     18.68731761     10.06048214    -11.65159104
  H     16.56267091      9.93579581    -14.28715996
  O     14.00379718      8.31274196    -15.41551150
  H     15.66483654      9.06078809    -11.06349410
  H     15.64155265      9.91708955    -13.02402850
  O     14.67611377      6.28776308    -13.52779586
  H     16.27441416     10.50827579    -10.94606987
  H     14.07751095     12.02416020    -17.07748637
  O     18.40250565      6.80480880    -11.39698420
  H     11.12592474     10.06217223    -14.55939584
  H     14.45471156     13.35982599    -17.76636260
  O     14.89813659     12.57803666    -14.28831441
  H     11.44676407     11.54319213    -14.28584243
  H     12.72234386      8.39273076    -10.63060232
  O     18.47126516      7.52720063    -15.83631656
  H     13.15631029      8.35436519    -14.95021353
  H     13.85379053      7.36816641    -10.39909124
  O     15.66144430      7.26633477    -11.07250258
  H     14.59876800      8.92059956    -14.94343751
  H     17.95016289     10.60125012    -15.66649182
  O     17.03127336     11.10276188    -17.03250429
  H     14.50585877      6.91970197    -14.23805447
  H     18.48791521      9.24004760    -15.18093856
  O     17.45177170      5.91421293    -13.93172226
  H     13.81023369      5.98852040    -13.22329541
  H     17.98168497     11.93492688    -13.92685791
  O     13.03088612     10.67909630    -16.89882508
  H     19.13032057      6.46184452    -10.88574427
  H     16.70424535     12.75328107    -13.64692486
  O     15.64463042      9.91898744    -13.99010458
  H     18.65426685      7.70099565    -11.68464457
  H     18.16553254     12.15118580    -10.19845278
  O     14.70535241     12.77102285    -17.06039603
  H     15.09103435     11.62958112    -14.23601370
  H     17.74881433     12.00650372    -11.68395836
  O     12.89317414      7.47191516    -10.39457606
  H     14.83349020     12.78936029    -15.22957902
  H     12.55283823     10.94520760    -11.95715175
  O     18.31063065     10.14470223    -14.88571754
  H     19.15450473      7.06210502    -16.31238017
  H     13.72902803     10.11082704    -11.41682757
  O     17.59698313     12.57812192    -13.32183855
  H     18.11840105      6.90893856    -15.17265984
  H     16.91336252      8.03673355    -16.86649554
  O     17.82057749     11.53196370    -10.83556432
  H     16.59589284      7.02747339    -11.03585734
  H     15.38625059      8.23323084    -16.77737480
  O     12.77962820     10.07523372    -11.60675978
  H     15.33431510      6.95937644    -11.93072247
  H     11.71303637      7.58822262    -13.37572643
  O     16.16397180      8.46612023    -17.29740208
  H     16.67391448     10.23343195    -17.27135816
  H     12.16501008      9.01356120    -12.97786807
  O     11.81261858      8.48636433    -13.71072892
  H     16.30661981     11.73051050    -17.11845876
  H     11.47536741      5.22591900    -12.23038788
  O     12.06875349      5.93130678    -12.47282609
  H     17.81374136      6.10926123    -13.05858536
  H     12.28998386      6.41171096    -11.65434670
          69
 Energy    -249.00648280610380     
  O     16.56545188     10.13760903    -15.71890012
  H     16.48329277      9.24680468    -15.34325983
  H     17.26235442      4.89895114    -16.05334197
  O     15.51481400      4.50500045    -13.19692734
  H     17.41804764     10.14751105    -16.16855594
  H     16.87055764      4.87970061    -12.19698834
  O     16.85645793     12.97503257    -10.89714168
  H     14.66925185      4.97358624    -13.20444299
  H     17.83697518      4.35793900    -11.11054920
  O     19.33291211      8.31871030    -14.13654873
  H     15.80479236      4.51190061    -14.11893341
  H     18.83687511      8.80959014    -17.10272808
  O     15.26214372      6.75796818    -17.73756117
  H     16.87424391     12.65308973    -11.80876713
  H     19.79073006     10.02052153    -17.26295908
  O     16.53146311      9.84354125     -9.00187388
  H     16.02258490     12.66114824    -10.52509280
  H     17.56164220      7.76212627    -14.32686243
  O     14.90437723      8.14260859    -12.38054520
  H     19.40088784      8.86365015    -14.92930906
  H     16.51054370      6.74939003    -14.86038558
  O     16.90296483     11.43189610    -13.26348355
  H     19.22849072      8.89543912    -13.36638406
  H     13.75828711     10.41461703    -14.34445845
  O     19.48741279      5.57640251    -13.87104118
  H     14.89341592      6.61633539    -18.60666694
  H     14.69517626     10.27878792    -15.56127546
  O     13.30018804      6.18013590    -13.53666319
  H     14.53872404      7.09541751    -17.18463574
  H     16.22017812      7.82933701    -11.24615361
  O     19.05828821      4.95471378    -16.45122368
  H     17.35245018     10.34450179     -9.08036730
  H     17.34112735      6.79889375    -10.98022690
  O     16.35039764      5.06804797    -15.78317241
  H     16.68757797      9.00722260     -9.45949022
  H     13.35977723      8.51358441    -15.79521657
  O     17.67807918      5.09528008    -11.69482796
  H     14.61540683      9.06248391    -12.42294339
  H     12.23803805      7.60610927    -16.34230966
  O     19.16651263      9.61717864    -16.66638331
  H     15.46611176      7.97412854    -13.15335418
  H     19.43025161     11.99906438     -9.21576202
  O     16.61896105      7.63655877    -14.49995681
  H     17.48942357     10.81620193    -12.80155942
  H     18.15827416     12.11470744    -10.09157073
  O     13.79525269     10.10077370    -15.25644930
  H     16.83703578     11.11931814    -14.17446426
  H     18.85705439     10.29261944    -11.14501711
  O     17.05295914      7.69380055    -10.76678579
  H     19.59115757      6.53861585    -13.89861845
  H     18.10211335      8.97931120    -11.48362856
  O     13.16869025      7.61922819    -16.13026312
  H     18.91691477      5.38417059    -13.11769885
  H     13.98858866     11.75228568     -9.12471568
  O     18.79558742     11.48570458     -9.70744467
  H     13.70627701      6.87205192    -12.99474049
  H     15.21589027     10.89530550     -9.51102419
  O     18.61913734      9.70234483    -11.87009303
  H     13.24382432      6.55900475    -14.41958273
  H     17.17916993      7.23475519    -17.72302680
  O     14.58077124     11.55372169     -9.84507105
  H     19.27482934      5.13458947    -15.51749269
  H     18.50446905      6.53349024    -17.34261707
  O     18.13619420      7.34848613    -17.70777183
  H     19.65299468      4.27098123    -16.74615508
  H     15.17693803     11.10481330    -12.81271628
  O     14.27863532     10.84920841    -12.55340273
  H     15.90847311      5.49407308    -16.52775455
  H     14.19066533     11.11159006    -11.62891945
          69
 Energy    -249.00636268571537     
  O     19.70486796      9.24110227     -8.31423884
  H     19.61044848      8.63605529     -9.06602368
  H     18.25756358     11.14696186    -10.06142492
  O     18.06708249      5.36116211     -9.72550448
  H     19.06214457      9.95197210     -8.45114687
  H     21.11743696      9.96560413     -9.30507293
  O     18.74256662      4.89401723    -13.33012177
  H     18.55392314      6.15202914    -10.00587566
  H     22.27604578      9.41006154    -10.13188836
  O     19.95892037      7.42979441    -14.17971694
  H     17.44248639      5.17375560    -10.43585975
  H     18.82880963      8.63187431    -13.35449366
  O     23.13436072      7.67319172     -9.97251436
  H     17.87132947      4.96425550    -12.91783730
  H     18.74172602      9.90636805    -12.44802217
  O     16.33245302      5.26166014    -11.90779928
  H     18.94710058      5.75443695    -13.71119479
  H     20.17874175      4.23591232    -12.59462021
  O     21.68503490      6.31157714     -8.16176609
  H     20.42187752      7.46820066    -15.01303614
  H     21.37085994      3.25214688    -12.67410771
  O     14.44620180      5.88288472     -8.05000913
  H     20.62561331      7.24534778    -13.49595251
  H     13.38557339      6.38269872    -11.07400994
  O     21.59932335      6.74933551    -12.08530334
  H     22.63075468      7.20846964     -9.27763281
  H     14.11420378      7.63499529    -11.59225176
  O     19.36035488      7.63133457    -10.58554120
  H     24.05375774      7.61591826     -9.72735525
  H     16.50711977      8.16523185     -8.54220236
  O     19.62803744      7.37048881     -6.37089589
  H     16.21988313      6.22444009    -11.91249363
  H     15.16178035      8.84900179     -8.90070448
  O     17.85885677     11.05456832     -9.18954946
  H     15.53118056      4.90293658    -11.50643027
  H     16.03592895      8.28161827    -10.82861800
  O     21.68000757     10.16396477    -10.06715873
  H     21.05327057      6.57966513     -7.48813781
  H     16.65012289      8.47074304    -12.23838038
  O     18.26435176      9.11646409    -12.73785213
  H     21.34682330      5.48535532     -8.54002287
  H     19.86067388     12.11327797    -11.79451394
  O     21.04372560      4.01415680    -12.20387157
  H     15.33417351      6.08716979     -7.72944307
  H     20.40830907     10.85246433    -11.09283027
  O     13.27511469      7.33060792    -11.21909794
  H     13.99291233      6.73176912     -8.12419157
  H     17.42027284      6.13503950     -8.27610019
  O     16.10637571      8.84381166     -9.10288542
  H     21.54741119      5.78348236    -12.06239559
  H     17.88123957      6.88326398     -7.00701673
  O     15.95534227      8.00682358    -11.75374405
  H     22.25025954      7.03737233    -11.43215085
  H     13.20972956      8.10073992     -9.64036590
  O     19.63939371     11.21349734    -11.56738477
  H     18.87619265      8.13462673    -11.25141424
  H     12.57030622      8.95558217     -8.51798766
  O     17.11019179      6.70831359     -7.55709976
  H     20.16722835      7.31750308    -11.01260815
  H     19.62404386      4.40373903     -9.41251485
  O     13.34325535      8.44359469     -8.73824116
  H     19.84783900      7.69911441     -5.50268124
  H     20.78419810      3.95865751    -10.30865306
  O     20.54990969      4.12411512     -9.38852691
  H     19.67881082      8.12970233     -6.97989244
  H     13.47749724      3.87339266    -10.31007163
  O     14.01035334      4.65259678    -10.44400276
  H     17.17261445     10.37409366     -9.25191024
  H     14.19208465      5.02117980     -9.56087164
          69
 Energy    -249.00635404693935     
  O     -1.02812956     -1.75990805     -1.45643930
  H     -1.13593076     -1.55805762     -2.38190108
  H     -0.14201163     -6.43121833      1.18071880
  O     -3.29814321     -0.64507736      6.83844505
  H     -1.85360888     -2.18757438     -1.16394834
  H      2.05416568     -4.17151682      4.91852863
  O      1.98783422     -0.38334620      2.10750364
  H     -2.46637681     -1.13447898      6.79708998
  H      1.13293097     -2.95248479      4.94083268
  O     -2.05253834     -0.11379746      2.71275980
  H     -3.99785107     -1.30974205      6.80133082
  H     -0.20189506     -4.53236906      2.66636875
  O     -5.16531048     -2.73545521      6.30473708
  H      1.25770278     -0.20818402      1.48503150
  H     -1.58632286     -3.84505404      2.54051323
  O     -1.02684687     -2.21382056      6.25636327
  H      2.54615019      0.38928928      2.10322378
  H     -3.37373670     -4.86469843      2.02868772
  O     -0.54175326     -5.82633726      5.39860226
  H     -1.32719849     -0.54692163      3.17850311
  H     -3.68670189     -3.40340958      2.47206047
  O     -5.63459421     -1.03991839      4.01100674
  H     -2.57424263      0.35819670      3.37614081
  H      3.91419669     -5.29627474      3.48362632
  O     -0.19398801      0.03160280      0.58173573
  H     -5.78128236     -3.23273528      6.83699510
  H      2.98693545     -4.27297155      2.78355487
  O      0.54508766     -6.18634871      2.91490793
  H     -4.45331448     -3.34799517      6.05652818
  H     -4.80764060     -1.56184441      2.49834863
  O     -3.17834033     -5.71227262      0.39660089
  H     -0.29794951     -2.74096623      6.59288065
  H     -3.37207063     -1.21160982      2.04885543
  O     -0.52544495     -6.26187405      0.30921709
  H     -0.68672298     -1.81845734      5.43938912
  H      2.10395809     -3.32312253      0.86594773
  O      1.39483589     -3.71913351      5.46214397
  H      0.09575728     -5.11146241      5.53443915
  H      2.60900572     -2.14809295      1.72145544
  O     -0.63588262     -3.68865963      2.47825678
  H     -1.41554532     -5.44150522      5.52449639
  H     -0.10718314     -2.30533439      3.33407803
  O     -3.32294096     -4.24980929      2.77191622
  H     -5.09944503     -0.27181665      4.24539485
  H      0.86089984     -1.07870472      3.37935724
  O      3.02894302     -4.94244223      3.49052820
  H     -5.58153425     -1.63703394      4.76710174
  H      0.05384400     -3.58508611      0.78520577
  O     -4.12361358     -1.78725854      1.85113603
  H     -0.48507279     -0.52899110     -0.14775253
  H      0.09530045     -3.02563209     -0.65435212
  O      2.74867823     -3.08566642      1.54656213
  H     -0.94170659      0.11112013      1.18778763
  H     -3.87899808      1.87719948      4.99232274
  O      0.16022589     -1.53325484      3.86337693
  H      0.11498896     -6.25552884      3.78151700
  H     -3.50975603      0.47063569      5.52360210
  O      0.52463541     -3.65195266     -0.06011712
  H      1.45828922     -5.91777713      3.07501689
  H     -2.30683654     -3.49661640      5.68521231
  O     -3.67343063      0.98829419      4.71496471
  H     -2.23805407     -5.95910172      0.34036184
  H     -3.08913740     -4.24875748      4.55062748
  O     -2.95863217     -4.18855975      5.50974644
  H     -3.67493148     -6.43461732      0.02161839
  H     -3.25356515     -3.91954878     -0.31133937
  O     -3.24494210     -2.98083338     -0.53041192
  H     -0.07950016     -5.47050569     -0.01999283
  H     -3.67557185     -2.52437817      0.20519007
          69
 Energy    -249.00634696266036     
  O     17.45266363      9.51695964    -14.09863238
  H     17.84455899      8.68370100    -14.38799761
  H     14.16372471      4.18463144    -14.14400249
  O     14.17172949      4.31178836    -15.96740618
  H     17.53076785      9.55267098    -13.13222214
  H     14.26588164      9.56321472    -10.08863009
  O     12.68835132      8.99215872    -12.81321284
  H     14.14616572      3.62042403    -16.62352908
  H     13.31569475      8.85164481    -11.08154468
  O     12.62004330      6.16924776     -9.86884739
  H     14.89622477      4.91153406    -16.22073995
  H     15.75528767      8.82320748    -13.96959700
  O     11.93888698      6.03845834    -15.44688143
  H     12.16768372      9.41770683    -13.51141122
  H     15.34969234      7.37332076    -13.64348982
  O     15.93764702     10.82571135    -16.08704654
  H     13.53569744      8.73458809    -13.21542848
  H     17.61010618      6.45464700    -14.07239848
  O     16.11523545      6.05997657    -16.64691776
  H     12.91238115      7.08813987     -9.80131698
  H     19.03682138      6.40772993    -14.66804945
  O     15.33774419     11.11755885    -10.26689245
  H     13.34572412      5.64403642     -9.51332804
  H     11.68850720      9.67545254    -15.72155694
  O     15.03506398      4.78623327     -9.04981176
  H     12.65759806      5.43766385    -15.67844434
  H     12.33574209     10.97143212    -15.16613614
  O     14.62709240      8.40798399    -16.71481636
  H     11.87276077      6.02373718    -14.48482145
  H     14.58046598     11.77051668    -15.57221638
  O     14.69187540      2.82972563    -10.91868812
  H     16.58478625     10.51758743    -15.43900133
  H     13.76139271     13.07448440    -15.70832068
  O     14.16050669      4.30176757    -13.18533591
  H     15.56101566     10.03209613    -16.49068186
  H     12.23108953      6.06959458    -11.63749532
  O     13.78902655      8.73864905    -10.24532533
  H     15.65126802      6.88736692    -16.83977629
  H     12.27938992      7.15906738    -12.72114145
  O     15.00273305      8.21556112    -13.95980917
  H     16.88905464      6.30218316    -16.12671367
  H     11.80239040      7.46288201    -16.43238778
  O     18.18100732      6.81648556    -14.77290354
  H     14.88037224     11.39918934    -11.08036449
  H     11.20404279      8.13747387    -17.68995281
  O     11.68982539     10.28095976    -14.96983603
  H     15.39106468     11.88287403     -9.70110493
  H     13.38959029     10.80516704    -12.56742873
  O     13.78404102     12.23445517    -15.25809199
  H     15.20817485      4.40770186     -8.19167128
  H     13.94448469     11.95980364    -13.40301551
  O     12.22360613      6.20309015    -12.59748773
  H     14.95409057      4.04450023     -9.67360207
  H     16.30626668      6.33399528    -12.02378178
  O     11.82636329      8.26876570    -16.97975383
  H     14.66742578      8.30938265    -15.75057045
  H     15.67024375      5.30344460    -13.00538769
  O     13.92663836     11.60319855    -12.50719538
  H     13.69119029      8.40705986    -16.94734807
  H     17.09710449      8.57300212    -10.96839197
  O     16.35352280      5.98034675    -12.92378176
  H     14.33768145      1.94743994    -10.99615468
  H     16.76718124     10.07156575    -10.96128402
  O     17.35966346      9.41741971    -11.35311377
  H     14.49030331      3.27434113    -11.75778871
  H     15.24530403      7.61834205    -10.38827483
  O     16.02523163      7.04544570    -10.41561886
  H     13.47475351      4.95255775    -12.97315471
  H     15.81343534      6.27938216     -9.86782250
          69
 Energy    -249.00632371581253     
  O     11.52663667     10.66386742    -10.93930733
  H     11.53660302     10.63408874    -11.91500423
  H     15.05858293      5.58535221    -12.61996054
  O     13.99739784      6.74495033    -15.63220495
  H     10.76991287     11.18319080    -10.68407604
  H     11.94822418      8.87194171    -10.65164693
  O     15.76826720     12.19975611    -12.71483288
  H     14.53176882      6.36279742    -16.33818491
  H     13.04349368      8.14118082     -9.83352423
  O     14.35229237      8.77600782     -8.76755320
  H     14.17807661      6.22624989    -14.83424649
  H     18.79725563      5.52658708    -15.40128978
  O     11.70095390     10.45557065    -13.58865640
  H     15.13647688     12.14243143    -13.44107186
  H     19.72817283      4.37366804    -14.94823910
  O     18.22133276     11.07137794    -12.91221444
  H     15.28365344     11.95657356    -11.91483948
  H     14.37159223     10.77020210    -14.97774178
  O     14.34729475     10.97592210    -10.62917636
  H     15.24104128      8.40119200     -8.79807743
  H     13.96120237     12.04138580    -15.75931444
  O     16.19936367      6.42049734    -11.48775973
  H     14.42566690      9.64981255     -9.17226439
  H     11.62907323      7.13238667    -13.65492051
  O     18.28988544      6.78501855    -16.49996249
  H     11.66749854      9.54644239    -13.92198575
  H     12.36670378      7.45465545    -14.95763214
  O     16.23845980      3.99672271    -15.12207831
  H     12.40179580     10.91261096    -14.06505319
  H     14.65499315      8.35685585    -15.22283947
  O     15.85016923      5.51244682    -17.33583634
  H     18.86315759     11.77697042    -12.92627854
  H     14.86648989      9.04266778    -13.85179311
  O     14.44952035      5.24048062    -13.28851570
  H     17.34725531     11.49433105    -12.84057098
  H     11.21223502      5.33892152    -11.84258586
  O     12.40654378      8.02669414    -10.55603716
  H     13.38356986     11.03220905    -10.67173760
  H     12.05264526      6.59678367    -11.52635998
  O     18.95179006      4.86768996    -14.69888800
  H     14.58931260     10.21209471    -11.17655764
  H     17.51497375      8.25060292     -9.69480275
  O     13.97482344     11.65447722    -14.88739187
  H     16.39633549      6.68023791    -10.57972598
  H     17.53038213      7.44705318     -8.37390749
  O     11.68480095      7.78654135    -14.36036638
  H     17.01300034      6.55246032    -11.99759430
  H     18.74419850      6.19568354    -13.42608094
  O     15.01791547      9.14845426    -14.80490067
  H     18.14231616      7.62453834    -16.04544935
  H     18.22229272      7.64745015    -13.58948602
  O     11.91800123      5.88670300    -12.17739527
  H     17.44585449      6.51077777    -16.87959239
  H     15.26521288      7.93851072    -11.91921152
  O     16.96924731      7.70385888     -9.10111797
  H     17.13644913      4.18468525    -14.82304070
  H     13.80925300      8.42507653    -11.75772532
  O     18.46785538      6.97775229    -12.93392464
  H     15.63627293      4.27714150    -14.42050550
  H     18.66926802      8.26107065    -11.56880170
  O     14.65971273      8.65280063    -12.15442745
  H     15.74383670      4.99187607    -18.12759071
  H     18.37611173      9.76682092    -11.50472417
  O     18.48681795      8.98403293    -10.95322598
  H     15.98066531      4.88534475    -16.60019717
  H     16.80241902      9.04105754    -14.83582673
  O     17.76444102      8.97262742    -14.74883396
  H     13.56374986      5.32767805    -12.91481600
  H     18.03541134      9.72971850    -14.21436829
          69
 Energy    -249.00626865710484     
  O     10.31110701     10.51421417     -9.96056249
  H     10.88302652     10.90298293     -9.28675277
  H     13.82284075     11.65315843    -14.90650385
  O     14.48705138      7.83865412    -16.61043502
  H     10.61640013      9.60996478    -10.09874079
  H     16.97142791      9.91019775    -10.96827655
  O     11.42366675      7.90291105    -10.53385621
  H     15.03190785      7.56540238    -17.34354804
  H     16.94643136     10.98196077     -9.84881305
  O     14.85593512      8.06888112    -13.84852811
  H     14.04173722      8.66052672    -16.88585205
  H     16.99604284      7.43285256    -11.51271939
  O     12.04636341     11.88659771     -8.12104636
  H     12.35063844      8.10088014    -10.31460420
  H     15.88257168      8.05438626    -12.38393419
  O     13.06795336     10.04080691    -17.32515548
  H     11.18681287      7.11323167    -10.05338325
  H     13.26123275     14.20480238    -12.85258065
  O     12.14167687      8.13376174    -13.27225129
  H     13.92579343      8.06756192    -13.57475992
  H     11.92481379     13.43181257    -12.92805117
  O     14.12270044      9.98931572     -7.63475899
  H     14.86047070      7.91645738    -14.80219741
  H     13.80389119      9.57934937    -10.60084363
  O     13.52149940     11.11664372    -11.41793994
  H     11.61350389     12.50226926     -7.53357197
  H     14.80592697      8.40073793    -10.50782600
  O     14.81954315     14.60673275    -11.70379667
  H     12.70680274     12.39718666     -8.61822357
  H     16.15283526     12.19441251    -13.18379007
  O     10.98792135     11.94563303    -12.19355249
  H     12.14003636      9.77658647    -17.32192893
  H     16.95833600     12.15750989    -11.88651524
  O     13.07904378     12.06302354    -15.37391650
  H     13.11564119     10.85197959    -16.80133206
  H     11.74024480     10.97529340    -14.81441572
  O     17.28945943     10.78707571    -10.72921035
  H     11.79281257      8.01440029    -12.38240148
  H     10.64774742      9.97625013    -15.26794562
  O     16.32347802      8.10977502    -11.51945054
  H     11.76047579      8.94878202    -13.63041862
  H     14.93608083     12.73610694     -9.09630495
  O     12.53883972     13.97089294    -13.44519307
  H     13.33494550     10.54724944     -7.65599381
  H     14.37338471     13.72149760    -10.18330788
  O     13.98279911      8.74294312    -10.14015026
  H     14.07567206      9.43572392     -8.42660722
  H     15.04192304      9.92193774    -13.90135453
  O     16.59342234     12.76772937    -12.54359887
  H     13.81582000     11.79178978    -10.79457476
  H     14.49534077     10.99723064    -12.93813772
  O     11.04194858     10.38660284    -14.48940235
  H     12.63325427     11.36938151    -11.70519802
  H     10.85494101      8.17109595    -16.53824292
  O     14.12902306     13.07559797     -9.50609926
  H     15.49890500     13.98873574    -12.03243356
  H      9.68150177      8.71768484    -17.38853549
  O     14.95943824     10.87381545    -13.78093832
  H     15.14681662     15.48727795    -11.86732026
  H     16.75676703     11.81799775     -7.48030178
  O     10.42316533      8.98519683    -16.85319892
  H     10.58903428     11.50263559    -11.43029538
  H     15.50987610     11.01497640     -7.92749892
  O     16.18878643     11.64545902     -8.22662750
  H     10.80194995     11.40788780    -12.97554308
  H     11.89978406      7.16270932    -14.87551224
  O     11.87019170      6.92052434    -15.81135215
  H     12.86313340     12.85708984    -14.86488673
  H     12.76769703      7.05463999    -16.13996372
          69
 Energy    -249.00610282018550     
  O     -5.45286090      2.26179974     -1.82992950
  H     -4.69815602      2.09483542     -1.24357426
  H     -6.66446675      1.17027097      0.87854542
  O     -2.30326077      2.58242439     -4.06730707
  H     -6.17006174      2.52521082     -1.24220131
  H     -0.78596405      3.38722683      1.02929943
  O     -6.99334365      3.03776325      0.35126200
  H     -2.83325161      1.78381600     -3.97253716
  H      0.52377102      3.06219327      1.80192920
  O     -2.69612103     -1.02160828      2.53637611
  H     -1.48413117      2.43137252     -3.58032049
  H     -2.24143429      3.02915745     -0.41471046
  O     -0.35513191     -0.22484523     -1.12099907
  H     -7.78255360      3.52120412      0.57980620
  H     -2.10304889      4.56340055     -0.63171874
  O     -4.33400504      0.48393338     -3.59955166
  H     -6.24236760      3.55608244      0.69236750
  H      3.02289334     -0.71291235      2.25642112
  O     -3.00767117     -0.81967607     -1.50940636
  H     -3.20482203     -1.39129020      1.80670325
  H      2.51118034     -0.25891113      0.86665796
  O     -0.07458289      2.29056573     -2.26930546
  H     -1.85140763     -0.71139463      2.17964730
  H      2.41410464      1.80639923      1.63086215
  O     -0.36774695      0.25758157      1.61924266
  H     -1.21743373     -0.58972394     -1.35825083
  H      2.39034227      2.74514174      0.41285070
  O      2.45161276     -0.26445509     -0.88404120
  H     -0.38170147     -0.05775684     -0.16730303
  H     -1.89617845      3.54910569      2.78204874
  O     -4.04469723      1.33941814      2.53610577
  H     -4.85374248      1.09924469     -3.05479772
  H     -2.61432423      4.23210479      3.96630929
  O     -6.25854440      0.37917199      1.24654607
  H     -4.86397288      0.28093079     -4.36655526
  H     -5.18376341     -2.54547123      0.64847434
  O     -0.44105933      3.07926501      1.88118614
  H     -3.63992560     -1.24371616     -0.91264899
  H     -5.32412776     -1.00890840      0.69338452
  O     -1.59902713      3.75295631     -0.49890783
  H     -3.48540454     -0.50999675     -2.29020614
  H     -3.09921958      0.78765106     -0.55339935
  O      2.41235831     -0.12108353      1.82618639
  H     -0.56655659      2.88862651     -1.68688511
  H     -3.59199799      1.52772363      0.73741667
  O      2.22449772      2.71415172      1.36334888
  H     -0.19216497      1.39384304     -1.92175821
  H     -3.31530493      6.79511194     -1.08025864
  O     -2.77008724      3.75509320      3.15492445
  H     -0.47214554      1.20994168      1.74613316
  H     -3.67108991      5.42367038     -1.70770932
  O     -4.71611468     -1.73436541      0.46571203
  H      0.55347754      0.04894815      1.82298220
  H     -3.41368746      3.92345034     -3.47715933
  O     -3.30472003      1.65189025     -0.17660412
  H      1.52370980     -0.42122180     -1.10805141
  H     -4.71798417      3.77550225     -2.68321591
  O     -3.39252168      5.86600039     -0.88366951
  H      2.63776240      0.63802829     -1.17267508
  H     -4.37156665      5.02745622      0.50487631
  O     -4.10501166      4.43467635     -3.03198626
  H     -3.52494325      0.54322899      2.72652462
  H     -4.16482318      4.29496622      1.84699290
  O     -4.82426079      4.50091095      1.17593710
  H     -3.60794451      2.10531021      2.92264503
  H      1.64815975      2.51971614     -1.85194204
  O      2.55404587      2.53230089     -1.49986445
  H     -5.58487193      0.71705404      1.85733557
  H      3.07936453      3.03716092     -2.11548415
          69
 Energy    -249.00603579255429     
  O     13.97937059     11.40027396     -8.47042155
  H     14.07173454     11.15938426     -7.55218950
  H      9.89293581     12.96157383    -12.84698561
  O     10.72363733     10.85781729    -14.77650788
  H     14.17986929     10.60050256     -8.99055387
  H     16.82281786     13.74468361    -17.04553291
  O     14.37769017      9.22170827    -10.02452342
  H     11.16304081     10.99523601    -15.62556685
  H     15.84016920     13.75351866    -15.84896450
  O     18.02696598     13.65186889    -13.76420645
  H     10.66468884     11.72441060    -14.34536582
  H     13.28309939     13.19362416    -12.18274226
  O     11.63458805     11.85741971     -9.99913310
  H     15.04989386      9.10850342    -10.70625325
  H     13.17793453     14.48308475    -11.33223931
  O     11.76945178      9.31560455    -11.14348568
  H     13.51983468      9.03363299    -10.42613866
  H     11.94421688     13.25230902    -16.34454907
  O     12.99943715      9.81626103    -13.56582410
  H     18.94781399     13.85395659    -13.91364770
  H     11.27367793     13.95167227    -15.13936833
  O     14.56286076     15.56750348    -10.69880146
  H     17.63086926     13.49497565    -14.63640322
  H     15.22208051     12.02517146    -12.73341298
  O      9.44984320      9.38192685    -12.79889826
  H     12.32955665     11.74902810     -9.33858914
  H     13.95714194     11.34141365    -13.34298385
  O     14.42560551     14.25134018    -14.97566986
  H     11.94461221     12.56298924    -10.58589452
  H     12.17059450     11.24737860    -17.91624948
  O     14.93200840     11.00530856    -16.48357486
  H     11.69531021     10.19274935    -10.73699469
  H     13.24007864     11.29806246    -16.80456690
  O     10.54226227     13.30735497    -13.47643263
  H     10.93627271      9.16023348    -11.60437854
  H     17.34965169      8.69398503    -11.61509297
  O     16.66921842     13.36487096    -16.18372359
  H     12.66574283      9.57893222    -12.69121221
  H     16.74272668     10.08588312    -11.90194687
  O     12.65623436     13.77338966    -11.72291422
  H     12.23836472     10.13536725    -14.06602506
  H     15.95145297      8.98928370    -13.76655180
  O     11.85728620     14.10201296    -15.89429462
  H     14.53306445     16.44360600    -10.32448182
  H     14.52926697      9.15594818    -14.28758190
  O     14.36950353     12.19324248    -13.15174874
  H     15.08630903     15.62831416    -11.51839823
  H     16.57590413     12.32200848    -11.14112904
  O     12.30108862     11.46899399    -16.99772253
  H      9.82711003      9.82754473    -13.57553189
  H     17.35671274     12.44632202    -12.50140054
  O     16.55406442      9.13160360    -11.90934905
  H      8.78104664      8.78478350    -13.12492927
  H      9.85830949     11.93649191    -10.81830919
  O     15.44633017      9.05355928    -14.58368179
  H     14.39399319     13.49130198    -14.37348925
  H      9.10167003     11.05423975    -11.82649701
  O     16.86759260     11.84069710    -11.93316645
  H     13.53723676     14.35086716    -15.34269209
  H     15.33857830     15.27829844    -13.73158126
  O      9.15996769     11.95438484    -11.48541239
  H     15.19679826     10.29344939    -15.88177546
  H     16.73910517     15.02644922    -13.15827585
  O     15.94359783     15.55283679    -13.02770458
  H     15.59700045     11.69333844    -16.39555910
  H     15.16119115     12.61731009     -9.31330583
  O     15.79547500     13.14357911     -9.81574090
  H     11.28586133     13.59992830    -12.93116760
  H     15.37025133     13.98817496    -10.00588387
          69
 Energy    -249.00599220461268     
  O     10.54979184     10.10559127    -11.26542600
  H      9.74561459      9.88086496    -10.80482333
  H     10.43380947     11.65953115    -17.00531005
  O     14.55941623     10.81336530    -12.65670800
  H     11.14572100     10.51126898    -10.61032232
  H     14.71672950     13.32289360    -15.72170434
  O     17.01204216     13.15160758    -13.95881988
  H     15.47197628     11.05315001    -12.44623120
  H     13.73597376     14.49591036    -15.58308243
  O     10.92247803     11.77937534    -13.49390487
  H     14.34795975     10.03819355    -12.12596316
  H     17.65373982     10.67191204    -15.81720999
  O     12.21935769     14.84280772    -16.66126807
  H     17.36240624     12.69053514    -14.73262750
  H     18.68705648     11.48345684    -16.63595938
  O     15.15227869     11.95460531    -16.86718678
  H     16.22783686     13.62252457    -14.25936000
  H     13.43896036     13.60660144    -11.11836256
  O     14.55265648      9.67912405     -8.86018647
  H     10.68340102     11.25921345    -12.71686371
  H     13.41064242     14.58642554     -9.92247278
  O     13.24445028     13.15710569    -12.82025377
  H     11.67986953     12.32706590    -13.24484733
  H     16.09059675      9.23707873    -15.30040818
  O     14.35302257      9.88546648    -15.25466136
  H     12.03407977     15.63038832    -17.16623448
  H     17.15696840      8.87750162    -14.25173369
  O     17.19391724      8.61405971    -12.35094161
  H     12.44082434     14.14383040    -17.30451642
  H     15.52131715     11.28093239     -9.28267319
  O     12.27590038     11.22418575     -9.52476996
  H     16.11370712     11.89487673    -16.83118228
  H     15.19156402     12.70256097     -9.77304094
  O     10.73128262     10.91344679    -17.55835042
  H     14.81820227     11.20283505    -16.35412382
  H     11.29427946      9.89116690    -16.06694032
  O     14.46305190     14.04805436    -15.13229235
  H     14.70304886      9.08526370     -8.12929810
  H     11.39210898     10.37299688    -14.60724295
  O     17.85648794     11.55551070    -16.17400223
  H     14.56062784      9.13845285     -9.66900270
  H     13.70408748     12.42188293    -17.91752367
  O     13.57210965     13.67637292    -10.15783496
  H     13.63729180     13.56919582    -13.60072735
  H     12.21978884     12.02666143    -18.12756313
  O     17.04603461      9.16240272    -15.16562685
  H     13.68178541     12.29475448    -12.72417394
  H     11.62740245      8.81752749    -12.17064767
  O     15.92027301     12.08476222     -9.63851463
  H     13.41121395      9.69901219    -15.35307861
  H     12.04760982      8.52279213    -13.61548774
  O     11.61532797      9.63510911    -15.19364921
  H     14.46016253     10.23246075    -14.35709843
  H     17.24022701     12.03961620    -12.57754377
  O     12.85552119     12.74057234    -18.25590067
  H     17.95783975      8.18587154    -11.97166185
  H     16.87625021     11.67052964    -11.08565994
  O     12.23881999      8.28917413    -12.70032125
  H     17.29093430      9.56621898    -12.17064494
  H     10.77296694     13.69845159    -16.04184060
  O     17.19541098     11.31888369    -11.93116634
  H     13.00541169     10.68050686     -9.20267622
  H     10.29597440     12.64441925    -15.01023370
  O     10.13926326     12.98477140    -15.90196747
  H     12.64285056     12.10487174     -9.66795276
  H     13.79070078      8.14402813    -11.80847814
  O     14.54753714      8.36144674    -11.24142989
  H     10.01707143     10.71462573    -18.15836881
  H     15.37233399      8.26113238    -11.73218165
          69
 Energy    -249.00580977413424     
  O     12.71238477      9.67210867    -15.63516618
  H     13.26895060      9.04527573    -16.11790748
  H     16.14054959     10.56851382    -17.97527498
  O     17.39926386      6.68985750    -13.46834849
  H     13.20114565     10.50286102    -15.61867532
  H     15.99608306      9.49622233    -14.24466568
  O     18.08274588     10.80318622    -12.15854869
  H     18.16994044      7.08348981    -13.04216098
  H     17.09376890      9.21432152    -15.29996922
  O     18.48814611     10.04536124    -16.08722877
  H     16.99592229      7.40124140    -13.99278182
  H     12.07163707      8.87723920    -14.25004287
  O     14.37620994      5.22110571    -16.06296220
  H     17.98214286     10.89797533    -11.20279976
  H     10.84224518      8.47014443    -13.40113625
  O     15.23957302      9.46702632     -9.34211913
  H     17.20278993     10.91385166    -12.54589708
  H     18.41603874      8.96517510     -9.39275039
  O     15.24655138      6.61123425    -11.75862056
  H     19.20951987     10.16180101    -15.46103550
  H     19.01316302      7.97914261    -10.41460379
  O     15.52756010     10.91039519    -13.18353147
  H     18.63357206      9.24033259    -16.61209116
  H     12.72668694      6.72404340    -13.63061951
  O     18.30219634      7.78235295    -17.56236669
  H     13.95617217      4.41783026    -16.35777823
  H     13.94473269      6.05829091    -12.95930907
  O     16.23072922      6.78077102     -9.12981776
  H     13.99147122      5.43381302    -15.19341370
  H     19.52326437     10.79754359    -13.31500272
  O     17.25490526      5.62716730    -16.09069645
  H     15.45113241      8.54396628     -9.15393729
  H     20.90444617     11.24336527    -13.83621190
  O     16.30051636     11.25139960    -17.31320222
  H     14.67961856      9.45418156    -10.12906641
  H     18.74096132      9.06538589    -12.17562320
  O     16.34328181      8.81762784    -14.83481721
  H     15.54836098      6.54293864    -10.84532428
  H     20.03758045      8.63163679    -12.83182416
  O     11.79138254      8.39769129    -13.44919297
  H     16.02910526      6.55287122    -12.32651982
  H     16.73722256     10.34994559     -9.36270290
  O     18.60993105      8.03062805     -9.53888326
  H     14.89041749     10.37024947    -12.69315160
  H     17.69075170     11.36375472     -8.68581899
  O     13.31560091      5.96280751    -13.68691382
  H     15.07233610     11.36110383    -13.90612036
  H     15.38618134      8.50061994    -18.20284588
  O     20.24213876     10.56215200    -13.92511160
  H     17.97955192      6.99123161    -17.10645955
  H     15.54644892      8.66938186    -19.73142753
  O     19.34010501      8.30644984    -12.25764471
  H     17.59073187      8.07156817    -18.14484024
  H     14.44647773      8.24445466    -11.83249142
  O     17.63402731     10.73041916     -9.39604604
  H     16.28600858      6.16255032     -8.40621299
  H     13.13311806      8.92200259    -12.28759006
  O     15.94897913      8.88847127    -18.89514663
  H     17.12383676      7.14808529     -9.25596787
  H     15.07811747     11.73219562    -16.18343644
  O     13.96638168      9.08632447    -11.82956146
  H     16.31940309      5.39853503    -16.12867225
  H     14.12648484     12.86257755    -15.72956753
  O     14.39994258     11.97212226    -15.52574435
  H     17.43209737      5.80609289    -15.15823116
  H     15.20436263      8.19837748    -16.07520891
  O     14.56944857      7.90967466    -16.75001989
  H     17.13925184     11.00500158    -16.89810343
  H     14.43710656      6.96272014    -16.61941289
          69
 Energy    -249.00578515044370     
  O     11.97609176     10.35324369    -15.41741290
  H     12.42686641     11.16616482    -15.16717515
  H     16.89760150      7.10434300    -15.22485264
  O     16.47227136      7.24196621    -13.46376286
  H     12.54388478      9.91543914    -16.06893597
  H     20.61039058     10.10513902    -13.03424964
  O     16.00839838     10.31771552    -10.69445714
  H     17.05125038      7.62135111    -12.79056158
  H     19.41902519      9.67464802    -13.92245808
  O     16.21164881     11.94866123    -14.76010842
  H     15.71710821      6.85796916    -12.99745272
  H     14.65495218      9.20398302    -15.27728850
  O     14.34691326      6.15188173    -16.78381829
  H     15.55389965      9.76884425    -10.03847959
  H     15.61862971      8.68223688    -14.16203646
  O     14.40895431      8.56499169     -9.26210637
  H     15.31047640     10.60670752    -11.29860622
  H     11.37694579      9.05683156    -14.40344719
  O     14.25470925      6.38096184    -12.03541780
  H     16.71697448     12.08527369    -13.94427837
  H     10.13883709      8.21882589    -14.01711424
  O     13.90457441     10.81795222    -12.44895789
  H     15.89421110     11.03223537    -14.72734753
  H     18.80446236      5.98421384     -9.62693356
  O     17.89581353     11.48572774    -16.87290529
  H     14.06066015      5.42831689    -17.33479244
  H     17.99730059      7.07963765    -10.34527660
  O     15.26020645      5.80689426     -9.47142115
  H     13.84326853      6.08735075    -15.95186853
  H     13.37506382      6.07177112    -13.64810721
  O     18.91867311      9.20464643    -15.50729827
  H     14.69435144      7.64541656     -9.21029512
  H     12.25368297      6.85752241    -14.35402109
  O     16.96123990      7.18421546    -16.18863362
  H     13.64149305      8.56367954     -9.84796354
  H     18.40164866     11.36218842    -12.60785612
  O     19.66532046      9.97984358    -13.03070349
  H     13.71113193      7.15825896    -11.83920961
  H     17.16732597     11.52730177    -11.70068689
  O     15.11890832      9.44850917    -14.46766752
  H     14.56679506      6.04568664    -11.18658363
  H     17.26963522      9.12389337    -11.16491481
  O     11.08069135      8.28891499    -13.88350750
  H     13.61766610     11.61129208    -12.91041202
  H     18.62084061      8.96479985    -11.92863076
  O     17.91624721      6.29666248     -9.77665056
  H     14.28343230     10.25040903    -13.14140987
  H     16.62699980      8.64569766    -17.40881663
  O     12.92251425      6.17663215    -14.49500080
  H     18.27338741     12.27852333    -17.24425140
  H     16.84971999     10.14108268    -17.71833128
  O     17.64951081     11.94008314    -12.42769905
  H     17.30295511     11.76294740    -16.15415195
  H     11.94808255      8.41877111    -12.20868560
  O     17.93942691      8.48190526    -11.44453119
  H     16.22327392      5.92608805     -9.54107465
  H     13.00076037      9.43010345    -11.74339618
  O     16.30336171      9.38064924    -17.94711134
  H     15.11141929      5.13331193     -8.81310112
  H     14.47530663     12.56270835    -14.68647127
  O     12.59914824      8.57884066    -11.51422630
  H     18.65271346      9.96611220    -16.03823748
  H     13.35712926     13.62637349    -14.69437326
  O     13.52471655     12.69944282    -14.54328479
  H     18.37285520      8.46479643    -15.79656131
  H     14.61421694      9.22524473    -17.40675724
  O     13.82860235      8.92720505    -16.92244860
  H     16.16583083      6.74403275    -16.51422962
  H     13.85049170      7.96319334    -16.95909842
          69
 Ord_Energy   -249.005600    
 O   -2.64918423      -1.46498311      -2.26406097    
 H   -2.21330237     -0.901430607      -1.60580826    
 H   -3.25883842      -2.03001571      -1.77642870    
 O   -2.45760441       2.73913074       2.28726315    
 H   -2.87083721       1.93562758       2.62213135    
 H   -2.62444806       2.74759650       1.33399713    
 O   -4.22054005      -2.94591117     -0.462944984    
 H   -4.74668694      -3.73597288     -0.547318757    
 H   -3.38451195      -3.20620871      -3.32567804E-02
 O   -3.65663242      0.256115496       2.99755764    
 H   -4.25992012       9.60434899E-02   3.71806383    
 H   -4.13006592       2.13958398E-02   2.17765474    
 O   0.996212304      0.100455821      -3.73948765    
 H   0.615661561     -0.777112424      -3.55001450    
 H    1.56801963      -5.01722982E-03  -4.49485302    
 O    1.99932373       1.74059772       2.90495253    
 H    1.31515145       2.41513634       2.81701612    
 H    2.65786219       1.94129860       2.22680759    
 O    3.57228780       2.41055775      0.661759853    
 H    2.82792997       2.88209724      0.259396940    
 H    3.72185373       1.65402579       9.43306014E-02
 O   -3.53825808      0.796648264      -3.61097598    
 H   -4.18629980       1.10692108      -2.96967411    
 H   -3.27247238      -7.56509081E-02  -3.28613853    
 O   -5.10222769       1.62245131      -1.30658817    
 H   -5.77564144       2.29799843      -1.28083444    
 H   -4.27515268       2.04068184      -1.01018381    
 O   -2.66864538       2.55360007     -0.481640071    
 H   -2.20635748       1.69984806     -0.477997690    
 H   -2.13682413       3.16425991      -1.00460374    
 O   -4.86621141     -0.422593057      0.684437811    
 H   -5.01849699      0.198175222      -3.76943201E-02
 H   -4.70850086      -1.28682196      0.284862518    
 O   0.652867496      -3.65448594     -0.704374135    
 H    1.13265693      -2.94495797     -0.240516573    
 H    1.21917307      -4.42178869     -0.689449310    
 O   -1.39079607      -1.11326909       2.09530544    
 H  -0.560891986     -0.967949688       2.56746387    
 H   -2.10315537     -0.653995156       2.55722904    
 O  -0.112487040      -2.25340414      -3.06334209    
 H   0.186993584      -2.78188324      -2.31426477    
 H   -1.05003238      -2.07631278      -2.90167904    
 O    1.90221655      -1.60239315      0.540747464    
 H    1.77895784     -0.800819576       1.31992800E-02
 H    1.70891404      -1.36209440       1.45372581    
 O    1.33091617      0.630799830      -1.02197993    
 H    1.26177120       1.56822574     -0.796546817    
 H    1.30971146      0.538032770      -1.98394179    
 O   -1.84073436      -3.46989632      0.678091168    
 H   -1.02826059      -3.60540104      0.176361144    
 H   -1.67220533      -2.71549892       1.26006901    
 O   -1.35017490      0.137117937     -0.390631914    
 H   -1.36944997     -0.299134403      0.471628338    
 H  -0.423056662      0.258283406     -0.630363286    
 O   -1.08467233       2.07048941      -3.76401043    
 H   -1.95234680       1.63956976      -3.78411794    
 H  -0.417564929       1.38005269      -3.83631158    
 O    1.07029545       3.31469488     -0.287832111    
 H   0.687928617       3.46232462      0.587966561    
 H   0.447851449       3.67575669     -0.931301534    
 O  -0.931797206       4.11037207      -2.07312226    
 H   -1.07044327       4.92771673      -2.54268694    
 H  -0.961183012       3.39381337      -2.73662901    
 O    1.15092099     -0.783831179       3.18895864    
 H    1.46417868      0.136314750       3.11953616    
 H    1.54857385      -1.15055716       3.97392535    
 O    5.09777889E-02   3.70831299       2.31662989    
 H  -0.850935876       3.34568286       2.36767459    
 H    3.39449309E-02   4.54942942       2.76605415    
          69
 Energy    -249.00547741263847     
  O      1.04883861     -1.73697174      6.16116674
  H      1.56474866     -2.55289437      6.13816394
  H      5.58053317     -3.62387874      4.65347823
  O      1.19926764      1.69824663      6.98036509
  H      1.34914446     -1.25611930      6.94361603
  H      5.63183685     -2.72160298      7.41396160
  O      5.40046341     -1.14755736      1.54305928
  H      2.03724560      2.13996899      6.79519030
  H      5.35212156     -1.39113523      8.15833828
  O      2.30628538      1.29763511      2.34481279
  H      1.40287144      0.99806889      7.61120969
  H      4.94253887      0.01953988      6.68934851
  O      1.09259907     -2.38008102      1.28306808
  H      4.55511000     -1.00692306      1.09808048
  H      4.47115387      1.28447875      7.40326354
  O      2.80932071     -3.92722785      6.23944032
  H      5.38747385     -2.04163108      1.90260810
  H      3.95208372      2.73193234      5.59007565
  O      5.20212586     -3.80246528      2.69542041
  H      1.34604460      1.42990165      2.37385486
  H      3.96049833      3.74576240      6.75543969
  O     -1.30464803     -1.30210411      2.30898885
  H      2.50972908      0.75986025      1.57041912
  H      2.99174177     -3.76526773      9.82749435
  O     -0.99612837      1.73857686      5.38221719
  H      0.25686909     -2.03861440      1.62782568
  H      3.89336734     -2.97978559      8.84391217
  O     -1.36611676     -1.05196112      4.99223182
  H      1.47752094     -2.92502049      1.98005274
  H      2.01605581     -0.89136822      4.82322483
  O     -0.39121482      1.41378959      2.60999494
  H      2.76332325     -3.88226625      7.20256236
  H      2.45655359     -0.04025749      3.56824443
  O      5.46205020     -3.24576610      5.53078907
  H      3.72719170     -3.71557988      6.01320911
  H      2.48478491     -3.84787726      4.31676901
  O      5.42326684     -2.34664166      8.27883822
  H      4.24975365     -3.75045085      2.88331736
  H      2.63408145     -2.48875247      3.60172451
  O      4.70223102      0.36152237      7.56460793
  H      5.33231565     -4.58367160      2.16266383
  H      3.54278503      2.22150016      3.32649557
  O      3.77118268      2.83585281      6.54166678
  H     -1.35330514     -1.29212400      3.28205779
  H      5.05567044      2.08744363      3.56830344
  O      2.97668536     -3.26192449      9.01781593
  H     -2.17350308     -1.54006208      1.99556853
  H      7.31578907      1.08085494      2.69818580
  O      2.68957982     -0.78238753      4.13946312
  H     -1.59075505      2.38688517      5.75067898
  H      6.09181925      0.17641332      2.41527560
  O      2.57810626     -3.44653726      3.44523229
  H     -0.20424460      1.73854345      5.94797111
  H      2.22927440     -1.25611353      0.62507107
  O      4.26333621      2.52880616      3.89445288
  H     -1.36775425     -0.10558465      5.18387183
  H      2.76610730     -0.50391966     -0.61576125
  O      6.43627786      0.87482213      3.00185456
  H     -0.58652451     -1.40267831      5.44490430
  H      3.08154300     -0.25057412      8.14538530
  O      2.88919332     -0.60570705      0.32446830
  H     -0.61781315      1.59765638      3.53083448
  H      2.33482810     -1.44680825      8.77529680
  O      2.20202443     -0.56764953      8.40131116
  H     -0.74604748      0.53793672      2.41512954
  H      5.77894337     -0.06968164      4.43833626
  O      5.24897340     -0.57874237      5.06165281
  H      5.44844704     -2.28640178      5.37997296
  H      4.34366660     -0.60436214      4.71276131
          69
 Energy    -249.00537432565841     
  O     13.75476661      8.21425206    -11.02029097
  H     14.32081192      8.68826832    -10.39583094
  H     16.00236372      5.81853314    -16.24692775
  O     14.48653368      4.85638272    -13.24556429
  H     13.38023650      8.83668255    -11.65990384
  H     16.82575051     10.16692044    -15.18506062
  O     16.78909877     11.11782978    -11.01965619
  H     13.97504360      4.98693416    -12.43638496
  H     17.78374593     10.95154165    -14.26870411
  O     18.88088097     10.33440353    -12.83739756
  H     15.24478727      4.30229387    -13.01452403
  H     15.29535543      6.53351692    -13.16538454
  O     11.77275283     11.83386903    -14.75203328
  H     17.57121115     10.89972576    -11.53852337
  H     15.02362560      7.79468926    -12.31661807
  O     16.12100846      5.01777488    -10.04845308
  H     16.13234347     11.43704264    -11.65420105
  H     13.41827410      6.49913957    -10.81111138
  O     15.05370833     11.74721438    -13.09526890
  H     19.81419897     10.47657582    -12.70035707
  H     12.56094805      5.33090859    -10.27016761
  O     15.07309149     12.35408173    -16.50025859
  H     18.71890449      9.38731925    -12.68442719
  H     17.24699897      2.73005369    -12.46476352
  O     14.28933916      5.75670129    -15.88042723
  H     11.99424962     11.48008290    -15.62326555
  H     17.43023856      4.18854599    -12.94918766
  O     16.30472546      8.50375927    -15.41929491
  H     11.98952147     11.13381719    -14.12339838
  H     18.22089352      7.58347253    -11.34107302
  O     13.53156841      8.53897801    -15.66424990
  H     16.42752681      4.48790046    -10.79421947
  H     17.31890128      7.63534761    -12.57637200
  O     16.95855722      5.96573199    -16.36577382
  H     15.17526430      5.14023914    -10.18646562
  H     18.45823027      6.17984198    -13.39393915
  O     17.05836886     11.06323465    -14.89516410
  H     14.61933415     12.54335027    -13.42457862
  H     17.91936066      5.60111256    -14.73539703
  O     15.58926366      7.44051929    -13.01214417
  H     15.73646184     11.51334319    -13.74128227
  H     16.96199431      8.01127734     -9.46254609
  O     13.34909542      5.52964274    -10.76869535
  H     14.68883036     12.97640430    -15.86964453
  H     17.12965957      6.50092458     -9.72689042
  O     16.84480413      3.59399147    -12.44651965
  H     15.86450895     11.99788377    -16.07772060
  H     13.72239431     11.34860949    -17.00776911
  O     18.24236599      7.72691002    -12.29997467
  H     13.84011223      6.60940738    -15.83594460
  H     12.68008642     10.97485353    -18.08866140
  O     18.30012096      5.36144844    -13.88208062
  H     14.21151364      5.35660353    -15.00279006
  H     15.52795829      9.82207648     -8.45437004
  O     17.61543242      7.33872166     -9.68184975
  H     16.04922357      8.18227638    -14.53909693
  H     16.05999994     10.05427059     -9.88873953
  O     12.91695400     10.82769515    -17.17692733
  H     16.66317928      7.73976583    -15.88620751
  H     12.89587637     13.16864174    -14.53344506
  O     15.59692022      9.41698619     -9.31491857
  H     13.22818146      9.23123703    -16.26507131
  H     13.30075521     14.64354423    -14.28598886
  O     13.65493287     13.77210035    -14.43794050
  H     14.49903740      8.57940720    -15.68145642
  H     13.18817081      9.27846959    -13.96865666
  O     13.05582514      9.80409478    -13.16725071
  H     17.19529865      5.57549466    -17.20286191
  H     13.77002957     10.45837698    -13.13006079
          69
 Energy    -249.00536849927744     
  O     22.96740746     12.26201424    -13.84902721
  H     22.78830833     11.83045629    -13.00616093
  H     18.06192782     12.43537465     -8.53550473
  O     17.89971392     15.36065302    -10.54498801
  H     22.55131426     13.13402228    -13.79207262
  H     17.20993500     18.09257316    -13.33199618
  O     15.30384701     12.04558223    -13.21964760
  H     17.90352269     14.59712343     -9.95768548
  H     16.41815488     18.90739646    -14.38096150
  O     20.73662281     13.09216154    -10.05479654
  H     17.55456233     15.01267399    -11.38354879
  H     19.67526098     15.57251720    -11.01428621
  O     17.36509707     10.86119231    -11.52239098
  H     15.44798590     12.29749401    -14.14945461
  H     20.73223005     16.60288455    -11.47222376
  O     21.80248700     11.30843377    -16.14401943
  H     14.36745660     11.89381395    -13.12140457
  H     18.88782710     10.24481248    -12.18877961
  O     19.85815505     15.47236623    -15.84138506
  H     20.91214106     13.95686695    -10.44511362
  H     19.68639242      9.78235112    -13.46803187
  O     17.78827958     17.95715402    -11.68047971
  H     21.29327864     12.44935576    -10.50980023
  H     21.04308041     12.58881705    -17.02764494
  O     21.35525341     14.52565171    -13.68775438
  H     16.64711054     11.19265808    -12.07304340
  H     20.81501629     13.28746868    -18.38946396
  O     15.89277572     12.95612886    -15.72765511
  H     17.52106948     11.52018300    -10.83353909
  H     19.98410500     17.24317140    -15.20647129
  O     19.59529926      9.50661138    -15.32415549
  H     22.29412734     11.60196939    -15.36097538
  H     18.89970222     18.20285535    -14.68552720
  O     18.12891986     12.72415546     -9.44240193
  H     21.22960721     10.59358153    -15.85261505
  H     17.10680049     15.06670730    -14.33646701
  O     17.02076373     18.17494957    -14.28403610
  H     18.90294390     15.41998080    -15.69285477
  H     16.97473497     16.44532039    -15.00966075
  O     20.60146027     15.66590481    -11.27863596
  H     20.09079493     14.78389659    -16.47593927
  H     20.42293085     18.25261906    -13.07097536
  O     19.77239928     10.13691060    -12.57423437
  H     17.72047444     17.14682743    -11.15991681
  H     21.18369671     19.08562131    -12.01156175
  O     20.49650102     13.25025515    -17.49162863
  H     18.72686999     18.18247936    -11.70004898
  H     21.28390915     10.60595673    -11.80393033
  O     19.85467036     18.06281905    -14.71260495
  H     21.12503451     14.98011544    -12.86588823
  H     22.56187457     10.29919247    -10.98803167
  O     17.11878795     15.50985252    -15.19877714
  H     20.90445333     14.96921739    -14.41893977
  H     19.50485660     11.88269018    -13.18052565
  O     20.60552636     18.33525187    -12.11752954
  H     16.14361088     13.88829884    -15.71717409
  H     20.07134093     13.26495327    -13.64313816
  O     22.08784674     11.00233894    -11.42537274
  H     16.69227505     12.48650036    -16.00295043
  H     18.69666010     12.22643303    -15.25089877
  O     19.28356429     12.70597188    -13.63015520
  H     19.33882121      8.74150743    -15.83340090
  H     19.02537745     12.33766162    -16.75497496
  O     18.44521214     11.88997963    -16.12677403
  H     19.09777183     10.25994620    -15.68343488
  H     16.36986663     13.50593905    -12.83346049
  O     17.10848403     14.12607557    -12.81477990
  H     19.08104672     12.80516776     -9.63626527
  H     17.90192780     13.61081778    -13.03214524
          69
 Energy    -249.00534753898336     
  O     17.05364161      9.49782881    -11.99250248
  H     16.97996150     10.45394786    -12.10231179
  H     18.30241284      2.95060849    -11.08314455
  O     17.16842846     12.27932328    -11.79553389
  H     16.27586394      9.05594956    -12.36116068
  H     16.74189592      6.31175154     -8.84357815
  O     14.93207449      7.90524725    -12.77314379
  H     17.44446549     12.97402495    -12.38738184
  H     15.85142404      7.56280697     -8.94422346
  O     19.23642510      7.98895375    -11.31966530
  H     17.88548490     12.15962077    -11.14394408
  H     19.06382004      6.62670287    -12.56602155
  O     20.65275266      9.61271874     -9.48445838
  H     14.68716818      7.31440848    -12.04582444
  H     18.69297122      5.13414617    -12.47687035
  O     18.46474388      6.08270492     -9.39852178
  H     15.36265252      7.34747196    -13.43375419
  H     17.28664251     11.31950117     -7.15975399
  O     11.77677751      7.43866089     -9.87524615
  H     19.82516672      8.55203616    -10.80441232
  H     17.61096507     12.76171459     -6.71169145
  O     15.44134283     12.73245531     -9.53595789
  H     18.49569238      8.54460133    -11.60583232
  H     16.47661640      5.90840319    -15.27943614
  O     12.80628289      9.46680729    -11.70928960
  H     20.23310906      9.11030496     -8.76227326
  H     17.26655587      6.05531199    -13.95768598
  O     13.63427860     10.70645309     -9.41365571
  H     21.58907030      9.62350802     -9.30446780
  H     16.44782705      9.36557354    -10.29688001
  O     12.48109442      9.00781691     -7.65992831
  H     18.70295447      6.74677367    -10.06211015
  H     15.19845428      9.76066182     -9.44969893
  O     18.10751569      3.88307123    -11.12030298
  H     18.41149566      5.24370141     -9.87284806
  H     19.58784491     11.13260785     -9.73503270
  O     15.84522281      6.62968508     -8.67648773
  H     11.98815453      7.91298236     -9.05595807
  H     18.55386807     12.01533770     -8.99216551
  O     18.77332357      5.87108695    -13.09453271
  H     10.88798529      7.10472940     -9.77697581
  H     14.03132478      8.23799091     -6.70227638
  O     17.43039142     12.22570922     -7.47995260
  H     16.07276162     12.63626060     -8.81263750
  H     15.17790604      7.26754275     -7.00562084
  O     16.37447133      6.08559960    -14.34834067
  H     15.95371248     12.65251218    -10.34994762
  H     13.26520312      6.45626039    -10.46574716
  O     16.02123633      9.25560041     -9.43952487
  H     12.33958048      8.76841523    -11.23456827
  H     14.71637693      6.21047795     -9.97985018
  O     18.98304466     11.87607682     -9.84553236
  H     13.48595843      9.02129779    -12.23132208
  H     19.05414859      7.33236056     -8.05014758
  O     14.85768549      7.89625898     -6.34358736
  H     13.33532059     10.43984643    -10.29634984
  H     18.57197906      8.57459411     -7.25147688
  O     14.12744526      6.12976789    -10.74557057
  H     14.15348107     11.52126633     -9.47524028
  H     16.30813563      9.06695905     -6.47112667
  O     19.35216746      8.14755555     -7.62707577
  H     11.90971022      9.46726258     -7.04894353
  H     16.75628684      9.52205207     -7.86155578
  O     16.99212743      9.58072639     -6.92092408
  H     12.89255954      9.68952351     -8.22185324
  H     15.79885992      4.79279523    -13.02205070
  O     15.65020898      4.28937410    -12.21254114
  H     17.19916048      3.96599133    -11.46210254
  H     15.02143595      4.80830461    -11.69300620
          69
 Ord_Energy   -249.004471    
 O   -8.78611183       1.19734275       3.85364819    
 H   -8.23944950       1.97702801       4.03377914    
 H   -8.52918053      0.522566020       4.49278927    
 O   -10.4736109       2.80682039       2.23163414    
 H   -10.4514942       2.32522774       1.39715362    
 H   -10.0501270       2.22942281       2.87908268    
 O   -7.71417856     -0.902405202       5.40470171    
 H   -7.47595501      -1.36993575       4.58344650    
 H   -8.11494064      -1.54601896       5.98280096    
 O   -3.83962250       1.12303793       1.67917359    
 H   -4.65488100       1.08535182       1.15570498    
 H   -3.26580596       1.76115572       1.23989141    
 O   -5.41727543       6.80957651       2.43405247    
 H   -5.63262987       6.92706394       1.50052249    
 H   -6.24330139       6.65738773       2.91010380    
 O   -6.95117426      -1.94812977       3.01307058    
 H   -7.41241932      -1.43578815       2.33545256    
 H   -6.00908375      -1.76262951       2.91572714    
 O   -4.52287245       4.54844141      -1.22920585    
 H   -5.03383923       3.84353614      -1.64559591    
 H   -3.80273056       4.11591434     -0.756689489    
 O   -6.48523617       3.66545773       1.48591614    
 H   -6.88775969       3.53886509       2.35531187    
 H   -5.62029457       4.06173372       1.64148736    
 O   -2.53741622       3.34165049      0.479926020    
 H   -2.94201875       3.87122583       1.19277012    
 H   -1.61787999       3.59227753      0.439557642    
 O   -7.16818333       3.38627720       4.16744518    
 H   -6.23440790       3.15738750       4.27736139    
 H   -7.28379679       4.33890295       4.27617931    
 O   -8.32399940      -6.05743490E-02   1.41548002    
 H   -9.00673008      0.260665029      0.812220335    
 H   -8.47818470      0.385771066       2.26237941    
 O   -8.72734356       3.05723715      -1.66705656    
 H   -7.85473347       2.82506704      -2.00260663    
 H   -8.61642170       3.90913677      -1.22211862    
 O   -5.03030586      0.134007126       5.44676924    
 H   -5.94290018     -0.151158735       5.57575321    
 H   -4.68211174     -0.430041075       4.74488163    
 O   -4.16565228      -1.24406946       3.05406427    
 H   -3.95858240     -0.443078041       2.54604030    
 H   -3.42055607      -1.83182573       2.95315051    
 O   -5.75203276       6.85818720     -0.432835072    
 H   -5.47160864       7.57093000      -1.00100827    
 H   -5.28180075       6.06031227     -0.734229624    
 O   -3.88454533       4.59760666       2.43053842    
 H   -4.32572174       5.45386219       2.54098225    
 H   -4.03539515       4.05562353       3.21513605    
 O   -9.59221077       5.43243408       2.22166467    
 H   -9.22147560       5.51371765       1.33427835    
 H   -9.98156643       4.54679823       2.26921177    
 O   -7.71657515       6.13110447       3.99877310    
 H   -8.07470989       6.73011589       4.64823627    
 H   -8.44121933       5.91906071       3.38018513    
 O   -8.06215572       5.28443146     -0.131346777    
 H   -7.42986774       5.97470903     -0.360540062    
 H   -7.56668520       4.67511415      0.438899517    
 O   -6.00009680       2.30699968      -2.22544599    
 H   -6.04082012       1.81885600      -1.38496971    
 H   -5.72414684       1.68404198      -2.89338017    
 O   -4.53490591       2.48042154       4.13026905    
 H   -4.66404390       1.75224650       4.75640202    
 H   -4.32329798       2.05353189       3.28930259    
 O   -10.1685457       1.27609205     -0.212678522    
 H   -9.66832924       1.90781915     -0.758946419    
 H   -10.9489021       1.04389548     -0.709263444    
 O   -6.19392872       1.24715114      0.284799844    
 H   -6.90619802      0.687895119      0.621429384    
 H   -6.33560848       2.12915134      0.666191638    
          69
 Energy    -249.00372376822676     
  O      0.32814549     -5.98462415      0.87350259
  H      0.99060315     -5.91905472      1.57184265
  H     -0.03781516      0.01873011     -1.66769990
  O     -2.39772401      2.54402232      0.40568433
  H     -0.44971321     -5.52203519      1.21111744
  H      0.76656454     -5.68827750     -0.76722169
  O      2.84159238     -1.00884968      3.16725093
  H     -1.49002135      2.49181518      0.73023149
  H      1.26147785     -6.26996949     -2.11316620
  O     -2.22159242      2.17328044     -2.27934043
  H     -2.90073399      1.89457363      0.91270438
  H     -0.54455025      0.73291692      2.19404304
  O      0.38955030     -1.21555663      4.66635568
  H      2.06807403     -0.98780096      3.74347383
  H     -1.96826725      0.21557678      2.57157887
  O      3.01501495      1.20635707      1.38680331
  H      2.87202956     -0.17518954      2.68121099
  H     -1.36830454     -3.41817019     -1.91855439
  O      0.00639173     -4.04567615      4.17270150
  H     -2.55427941      2.92109147     -2.76773594
  H     -0.85252968     -4.85196880     -1.88229670
  O      2.08666895     -5.27505202      2.96165773
  H     -2.36470666      2.36457266     -1.33500526
  H     -1.31418294     -3.53132530      1.63189887
  O      2.21565156     -2.94528565      1.37413869
  H      0.22568940     -0.87127561      5.54135939
  H     -2.52485123     -4.45464838      1.41470203
  O      2.79378492     -0.06507606     -1.01520141
  H     -0.16956413     -0.70582208      4.05616558
  H     -3.00918520     -4.39996179     -0.73894624
  O     -3.65033649      0.47294818      1.94009595
  H      3.79010446      1.76235080      1.37451863
  H     -4.42047333     -4.90080757     -0.35707756
  O      0.22896507      0.94875421     -1.65601440
  H      3.01396827      0.71289708      0.54648052
  H     -2.12482720     -1.01204631     -2.21907809
  O      0.95675964     -5.46754536     -1.69786820
  H     -0.72443156     -4.16241626      3.55024645
  H     -2.81875149      0.35396802     -2.36551177
  O     -1.02522525      0.10095398      2.74851205
  H      0.08962693     -3.10080372      4.34561601
  H      0.49364258     -2.34719219      1.25559665
  O     -1.66593245     -4.33399568     -1.86892819
  H      2.70514420     -5.65594106      3.57814908
  H     -0.62346164     -1.32900303      1.68477977
  O     -1.73252756     -4.34565056      1.95274665
  H      1.37252511     -4.87067844      3.48820709
  H      2.21081001     -2.89606407     -0.42311349
  O     -3.70359189     -4.34768372     -0.05808657
  H      2.55033991     -2.26842611      1.98170772
  H      1.82130418     -3.76440985     -1.63108271
  O     -2.99105077     -0.59101800     -2.27349322
  H      2.24563372     -3.78523234      1.84695586
  H      1.22594289      1.73880543      1.25678310
  O     -0.42474937     -2.07770821      1.11073247
  H      2.02108882      0.37354835     -1.39593335
  H      0.24903839      1.48981648      0.09376412
  O      2.07923862     -2.86720525     -1.38442701
  H      2.71383691     -0.99768963     -1.24475452
  H      0.43127624     -2.11663498     -1.71664557
  O      0.29261203      1.78371711      1.01561931
  H     -3.78377511     -0.25786906      1.30782617
  H     -0.61521821     -1.82522461     -0.63191701
  O     -0.45739725     -1.75631579     -1.58790913
  H     -4.47488467      0.58924711      2.40382115
  H     -3.72942948     -1.17626617     -0.73429341
  O     -3.96693426     -1.48710214      0.15196237
  H     -0.51485846      1.44770885     -2.01560881
  H     -3.94102941     -2.44868506      0.12525822
          69
 Energy    -249.00340538939724     
  O     13.93198994      9.29959086    -10.08976804
  H     13.39834684      9.63152045     -9.37230858
  H     13.68850921      6.42706730    -15.70199452
  O     16.04897137      4.90258103    -13.34146663
  H     14.36281161     10.07322585    -10.49481387
  H     17.83581088      5.98666362    -16.28359560
  O     14.92571224     11.43148623    -11.45490720
  H     15.22717710      4.66230956    -12.89982690
  H     19.09558941      6.48598445    -17.03230514
  O     17.30510402     11.27342769    -13.06845610
  H     16.03676105      5.87125520    -13.38869766
  H     15.84801744     10.04594736    -15.69689127
  O     11.03104332      8.16133558    -15.82019246
  H     15.78508749     11.43990828    -11.89166232
  H     16.21440873     11.12098123    -14.65070546
  O     17.73024649      6.86227738    -10.03621096
  H     14.28001597     11.54291993    -12.16655476
  H     15.00737944      8.01884024    -13.21842313
  O     12.62414286      6.45031123    -14.17261832
  H     18.05339350     11.86294168    -13.01030326
  H     15.98882180      7.93934657    -14.42961079
  O     13.33011139     11.25634691    -13.76448780
  H     17.59784068     10.41814767    -12.70952750
  H     14.58389903      7.53169659    -10.14349332
  O     13.42246462     10.62009831    -17.28200096
  H     11.46987134      8.05915685    -16.67446316
  H     15.84859716      6.66023028    -10.20933575
  O     16.50559009      4.88059598    -16.09329887
  H     11.40743995      7.48390847    -15.24533186
  H     18.99040627      5.66476648    -12.57333802
  O     16.23570303      8.37452618    -16.17025223
  H     18.03539869      6.18798662    -10.67163967
  H     17.68143197      4.86257968    -12.41461467
  O     14.21470878      6.50263870    -16.51018252
  H     18.20006891      6.70244340     -9.22236654
  H     14.02347142      5.50058798    -11.35804396
  O     18.47043671      6.72356260    -16.35247512
  H     12.79850586      7.27981192    -13.69989280
  H     13.17760415      4.20937097    -11.41449569
  O     15.58249070     10.91122400    -15.34939917
  H     12.83353679      5.76188690    -13.53185020
  H     17.17540177      8.37984128    -12.60335293
  O     15.86519971      7.68327096    -13.50677954
  H     12.52962691     11.24071040    -14.30351548
  H     17.95994512      8.29606136    -11.28631669
  O     14.88997698      6.63370502    -10.31790828
  H     14.08675740     11.17718759    -14.36524506
  H     19.12733169      7.73055623    -13.25106529
  O     18.48580345      5.12390676    -11.94797660
  H     14.20225024     10.84874698    -16.76411303
  H     19.22095811      6.96252090    -14.59227763
  O     13.58903073      4.87219269    -11.96306625
  H     12.65931153     10.84831654    -16.73543740
  H     13.00967268      9.03383544    -17.91889897
  O     17.91107285      8.78568241    -12.11527152
  H     15.67971115      5.29490227    -16.37500807
  H     12.48902276      8.17175809    -19.09451764
  O     19.57659968      7.00244561    -13.69663871
  H     16.39165730      4.70248783    -15.14911135
  H     11.06716685      9.89228141    -15.54582989
  O     12.67841694      8.15046502    -18.16045488
  H     15.52808849      7.74700011    -16.37847409
  H     10.32612288     11.24856222    -15.62591550
  O     11.18695733     10.85789604    -15.50298326
  H     17.07621301      7.92248638    -16.32226455
  H     13.41661907      8.78782183    -11.81320651
  O     13.34750741      8.67524212    -12.76859928
  H     13.66911286      6.95487478    -17.16604818
  H     13.29839878      9.56260193    -13.14833314
          69
 Energy    -249.00315585934220     
  O     -3.29942200     -1.01312374      0.41336056
  H     -2.72587178     -0.95789555     -0.36412885
  H      0.52623903     -0.04078215      0.18349042
  O     -1.21617061      2.83461076      1.96804300
  H     -3.92311216     -0.27728542      0.32768214
  H     -2.66393847     -2.59021366      1.05676279
  O     -0.49325263     -0.87202960      4.64237901
  H     -2.03743343      3.26075723      1.69572208
  H     -2.87746902     -4.04275302      1.52336696
  O      1.75010895     -2.80969995     -0.34480040
  H     -1.43031796      1.90657885      2.14643645
  H      1.90485746     -0.46497546      2.15143331
  O     -1.71237360     -0.80183958     -1.91668845
  H     -0.32523404     -1.75692743      4.28738904
  H      2.44507039     -0.10181199      3.55914882
  O     -3.25884879      1.33062387     -2.66090860
  H     -1.08008055     -0.45300482      3.99953154
  H      0.08371835     -3.27010853     -1.03761091
  O     -4.62910644      1.32080073     -0.12492926
  H      2.30169800     -2.13861941     -0.76796543
  H     -1.30317137     -3.50672794     -0.41185376
  O     -2.10321608      3.69774319     -1.53741779
  H      2.19511565     -3.09230446      0.46504076
  H     -2.37870548     -0.19002113      1.77971429
  O      0.40333343      3.07159123     -0.30348805
  H     -1.45674914     -1.73222078     -1.83464412
  H     -0.85363713     -0.16089154      1.94787145
  O      3.14352976     -0.58766442     -1.50465017
  H     -0.89723159     -0.28388120     -1.84256097
  H      1.37495022      2.25759580      3.86113107
  O      0.59217591      0.63786906     -1.53886042
  H     -3.63160387      1.22028149     -3.53225514
  H      0.37584032      2.99403325      2.92724005
  O      0.55632532     -0.61507200      0.95864612
  H     -2.74210176      0.52820039     -2.47747749
  H      2.79395552     -2.31027636      2.51587632
  O     -2.20031173     -3.41171542      1.28732136
  H     -4.29759454      1.37535475     -1.03062346
  H      3.34355285     -3.73807582      2.74364105
  O      2.68350107     -0.52883451      2.72740252
  H     -4.36519930      2.14776518      0.29462136
  H     -0.73180833     -3.32738957      2.55527007
  O     -0.85899907     -3.31610977     -1.24706492
  H     -2.40163725      2.90786482     -2.00635809
  H      0.78824568     -3.38120396      2.86449805
  O     -1.67894865      0.16405400      2.34088119
  H     -1.17939665      3.55472290     -1.29744196
  H      1.83393918      0.83061406      5.90193672
  O      1.29697533      2.97348406      3.22039328
  H      1.27280116      3.31753535      0.03407897
  H      0.83610534      0.16125961      4.92546928
  O      2.68911227     -3.24187624      2.25853839
  H     -0.16745895      2.96975089      0.47325267
  H      3.60010902      1.79973541      0.73512689
  O     -0.07858243     -3.25048583      3.26153277
  H      3.47543897     -0.05684519     -0.75745220
  H      3.62961953      0.41919846      1.42464112
  O      1.61878321      0.74138296      4.97786780
  H      3.83696633     -0.61083191     -2.15861801
  H     -4.03732988      4.66750758      0.83432968
  O      3.89006583      0.88651693      0.61986232
  H      0.60807516      1.54717857     -1.20714181
  H     -3.06836275      3.88999923     -0.08980215
  O     -3.54290986      3.85554067      0.76083613
  H      1.49666892      0.32320241     -1.65825114
  H      2.33635572      3.31693786      1.89365209
  O      2.83616143      3.48385599      1.07247171
  H      0.77765473     -1.48796059      0.61122152
  H      3.32729474      4.28968657      1.20863314
          69
 Ord_Energy   -249.003006    
 O   -1.63108516      0.919684291      -2.84513068    
 H  -0.876784384      0.912030876      -3.44758582    
 H   -2.30448723      0.337734371      -3.22873211    
 O   -1.36994648      -1.17513847      -5.82672977    
 H  -0.753961921     -0.471026629      -5.59092760    
 H   -2.05987597      -1.16310763      -5.15072918    
 O   -2.47825360       1.86415493      -8.19269085    
 H   -3.33441186       2.16991901      -7.86600447    
 H   -2.55007601      0.907469571      -8.28946209    
 O   0.232006848       1.05403996      -4.97100878    
 H    1.18191743       1.12725639      -5.01679611    
 H  -0.130630687       1.81900907      -5.45042372    
 O   -4.61743736       5.41303253      -7.74146748    
 H   -4.93851709       5.92554569      -6.97782421    
 H   -4.88968658       5.88391256      -8.52500725    
 O   -5.99562120       4.30942726     -0.604636312    
 H   -5.10968113       4.53999901     -0.299207211    
 H   -5.96564198       3.35930109     -0.773613751    
 O   -1.92844927       5.64582014      -6.67160940    
 H   -2.77005434       5.54567814      -7.13259888    
 H   -2.07246566       6.33451796      -6.01260138    
 O   -2.84714508       2.14505744     -0.629991591    
 H   -2.27341795       1.67843843      -1.24950004    
 H   -3.75074816       1.91248560     -0.886116803    
 O   -5.43475866       1.67745638      -1.60857463    
 H   -5.63747168      0.744146407      -1.74462128    
 H   -5.44358349       2.08142066      -2.48538041    
 O   -5.79578829       5.41823530      -3.12566662    
 H   -4.84114695       5.54965448      -3.03423500    
 H   -6.08967161       5.13922024      -2.24667954    
 O   -2.66967058       7.51017475      -4.61841774    
 H   -2.25931072       8.29955482      -4.27524042    
 H   -2.70986152       6.87114143      -3.88591838    
 O   -4.90899754      -2.10166499E-02  -6.55455351    
 H   -4.30332851     -0.453498334      -7.16887474    
 H   -4.95092678      0.908335745      -6.82012272    
 O   -5.44921637       2.90340447      -4.22351456    
 H   -4.47806978       2.91660285      -4.21451759    
 H   -5.73662186       3.77646756      -3.92145491    
 O   -5.92507219     -0.947311461      -2.52839112    
 H   -6.46463251      -1.67590868      -2.23413563    
 H   -6.39450645     -0.526533246      -3.27225518    
 O   -2.78782940     -0.980113089      -8.12737656    
 H   -2.20886850      -1.10981178      -7.35463333    
 H   -2.59009314      -1.67909718      -8.74413395    
 O   -1.00287461       3.10842586      -6.28707647    
 H   -1.44012702       2.63448501      -7.01223516    
 H   -1.15747666       4.05212784      -6.43892384    
 O   -5.28879595       6.81915522      -5.52876806    
 H   -4.45118284       7.20684099      -5.24357605    
 H   -5.67681646       6.41840553      -4.74075079    
 O   -3.57573891     -0.616737306      -4.11080885    
 H   -4.01695538     -0.338356316      -4.92549562    
 H   -4.27769136     -0.866061032      -3.49857354    
 O   -2.73207068       3.13999057      -4.09546900    
 H   -2.37060165       2.42081475      -3.56158686    
 H   -2.20820403       3.18005776      -4.90583229    
 O   -6.89808893      0.431028783      -4.64811802    
 H   -6.38782692      0.119930267      -5.40898323    
 H   -6.59889603       1.33715463      -4.50352955    
 O   -4.92675829       2.74536347      -7.01602030    
 H   -5.19048309       2.84903336      -6.09331989    
 H   -4.87065840       3.64368153      -7.36928225    
 O   -3.15899801       4.76132727      -8.66379365E-02
 H   -2.97125530       3.81474400     -0.227580994    
 H   -2.78226495       4.99434519      0.757353365    
 O   -2.98958492       5.54927063      -2.75514722    
 H   -2.97996640       5.36934423      -1.80632246    
 H   -2.81997681       4.71183538      -3.21137428    
          69
 Energy    -249.00283749980156     
  O     14.06220601      9.24827545    -10.47619911
  H     13.84873377      9.85420435    -11.20029138
  H     18.74325389      3.41326360    -11.76833878
  O     13.08468332     10.69420438    -16.34634490
  H     13.32785671      8.62991044    -10.37509134
  H     11.45156738      6.99558867     -9.78640749
  O     16.49199160     11.09531779    -13.22138110
  H     12.91355609     11.45989265    -15.78486686
  H     12.94058915      6.58477559     -9.90197875
  O     14.15474696      4.79119194    -14.13723234
  H     13.92778837     10.87357921    -16.78311429
  H     13.96303079     13.04111430    -14.66561676
  O     16.60364899      6.93354995     -8.13565542
  H     15.57213264     10.94883558    -12.96190415
  H     12.58995954     13.70427155    -14.39588937
  O     15.65796032     13.04834528    -15.09414270
  H     17.03694919     11.02809647    -12.42966525
  H     13.21803149      9.27851665    -15.28510474
  O     15.80571481      7.54200767    -11.87654581
  H     13.44215548      5.34861358    -13.77055592
  H     14.21569537      8.20317310    -14.75051698
  O     13.73624350     10.71300215    -12.75935112
  H     13.73786399      4.13340110    -14.68645837
  H     16.16640333     11.21386218    -18.13153745
  O     18.49347941      8.11055427    -11.85492136
  H     16.73695752      6.94066156     -7.19093271
  H     16.15255452     10.56780276    -16.72501464
  O     18.16332677     10.64645418    -10.97287966
  H     16.55786768      7.86514368     -8.41606714
  H     12.54797741      7.31245720    -13.58391249
  O     18.58861934      6.22819231    -13.88398078
  H     15.74119743     12.56265747    -15.92501942
  H     12.26878635      6.72629787    -12.17117377
  O     18.19163606      4.18291097    -11.87858437
  H     16.09150267     12.49987712    -14.42610090
  H     15.06476788      6.10482753     -8.86859909
  O     12.24088828      7.13233372    -10.30360172
  H     15.64588749      6.61884531    -11.63992419
  H     14.68266737      5.19412227    -10.05810245
  O     13.03534411     12.86236610    -14.42625177
  H     15.20343611      8.09714341    -11.36816878
  H     16.38412822      4.44485717    -11.75024596
  O     13.38078601      8.64621596    -14.56767432
  H     13.39465938     11.49937072    -13.20188366
  H     15.02705631      4.62391047    -12.49805784
  O     15.71441130     11.22835962    -17.29269425
  H     13.58885799      9.96874978    -13.36227405
  H     17.94187004      6.26585082     -9.28361861
  O     12.35639536      6.49509841    -13.10265327
  H     18.75955790      7.58616441    -12.62180442
  H     18.71943127      6.81019413    -10.49975552
  O     14.31360667      5.70820886     -9.32631384
  H     17.53611383      7.96803153    -11.77645688
  H     15.31235521      6.21695255    -14.61391617
  O     15.47120442      4.74500726    -11.64959865
  H     18.42172617      9.76588342    -11.29934786
  H     15.82861534      7.29783377    -13.63647090
  O     18.59681430      6.02488687     -9.95002129
  H     18.97033983     11.12278484    -10.79397262
  H     15.52811574      9.51896526     -9.42934490
  O     15.81804102      7.03822567    -14.57289620
  H     18.47192576      5.45706330    -13.31401284
  H     16.99855865      9.96966663     -9.58489545
  O     16.39769101      9.49065169     -9.00404751
  H     17.73116026      6.38984675    -14.29148269
  H     16.58604701      8.60939038    -15.31479599
  O     16.82347574      9.51832627    -15.52599452
  H     18.39155250      4.78257240    -11.13577125
  H     16.80478044     10.00916352    -14.69207484
          69
 Energy    -249.00271330612654     
  O     15.10220575     10.19444530    -15.93917746
  H     14.29747825     10.35842661    -15.42708788
  H     18.28069829      6.28698710    -11.78340569
  O     16.20867087      4.74993114    -13.75567017
  H     14.86014030      9.75762161    -16.76400688
  H     19.46744408      9.66640578    -16.13735729
  O     17.26902285     13.10567055    -10.52044945
  H     16.54802710      5.03115443    -14.61250594
  H     20.08230367     10.47560580    -17.30277857
  O     19.49796840      8.68840806    -14.65022602
  H     15.33096376      5.14259903    -13.68898833
  H     16.32114289      8.22697915    -13.75182077
  O     14.53561831      6.43796151    -16.51460951
  H     17.26642646     14.05076559    -10.64686862
  H     16.21250178      9.05474629    -15.06581213
  O     17.39204366      9.34404747     -8.51080110
  H     17.23837317     12.70498709    -11.40642292
  H     12.24024087     11.22274464    -14.08890841
  O     15.27497474      7.95465053    -12.28692718
  H     19.78544168      7.76759299    -14.68715672
  H     13.52092191     10.71631732    -13.40466059
  O     17.21274887     11.67075756    -12.85950693
  H     18.52870324      8.66770338    -14.57359544
  H     16.72926254      7.76418607    -11.26891039
  O     19.85596230      5.90707785    -14.72725488
  H     14.46785191      7.17454574    -17.13389876
  H     17.48993845      8.17244470     -9.97330839
  O     13.73931108      6.27034209    -13.90309591
  H     15.46100229      6.16691922    -16.53793655
  H     19.31456316     10.70214397    -10.48103915
  O     17.36522116      6.19105541    -16.05386638
  H     18.06482321      9.97735760     -8.81977868
  H     18.60374555     11.91108305     -9.84251266
  O     18.50323940      5.61491792    -12.43819948
  H     17.59107577      9.15426999     -7.59767373
  H     18.60783876      9.01220369    -11.68425973
  O     19.25582402     10.15128092    -16.95297952
  H     14.94544066      8.86007643    -12.19758075
  H     19.45010390      9.42154562    -12.92392327
  O     16.77076933      8.43276187    -14.58029746
  H     14.62345685      7.42532055    -12.76403073
  H     15.96957597     11.92836020     -9.69048402
  O     13.00699959     10.67285522    -14.22784780
  H     17.86210315     10.99622389    -12.61748111
  H     15.95293382     10.51502316     -9.08253292
  O     17.59742592      7.75777078    -10.83778464
  H     17.28515599     11.81916173    -13.81303029
  H     17.57207393      7.46985582    -17.52623375
  O     19.12048008     11.12306840     -9.63194703
  H     20.58069205      5.29021062    -14.77119542
  H     18.07296364      8.91072100    -17.78222581
  O     19.09060542      9.74731737    -12.09083041
  H     19.42905516      5.78036508    -13.85791194
  H     15.55234452     11.00548063    -12.45137316
  O     15.38609679     11.18846884     -9.47743378
  H     12.85419436      5.91836134    -13.85543536
  H     14.78153756     10.81368873    -11.12665932
  O     17.46031629      8.23629597    -18.10083039
  H     13.94551784      6.37667063    -14.84798051
  H     18.00160361     11.38238989    -16.10752751
  O     14.72908107     10.65694063    -12.08044281
  H     17.09282445      6.96306700    -15.52784635
  H     16.49469306     11.37749461    -15.79984161
  O     17.32409235     11.83155002    -15.59105897
  H     18.25528059      5.96840513    -15.75350157
  H     15.75674738      8.54571899    -18.30790124
  O     14.79079298      8.67246270    -18.27134260
  H     17.66487258      5.23942866    -12.74550525
  H     14.49475785      8.80951095    -19.16685282
          69
 Energy    -249.00221366094257     
  O     12.58883522     12.06837578    -14.37770951
  H     13.46405279     12.38862583    -14.62183438
  H     17.94581670      6.41183233    -13.80947951
  O     14.77794925      6.64352143    -13.27227053
  H     12.42222468     11.29685961    -14.93839502
  H     15.44478410     11.62744995    -16.61198905
  O     18.32717543      9.60330085    -12.85288333
  H     15.67992041      6.30520933    -13.26485985
  H     16.11063140     10.32844116    -17.12743637
  O     16.76118253      8.71067411    -16.50222312
  H     14.79506221      7.49999566    -13.72921987
  H     13.94479194      9.26947496    -14.98708051
  O     10.88060826      7.59898685    -14.78796028
  H     17.52408606     10.13902155    -12.88906507
  H     15.44545655      8.95126278    -15.28246439
  O     16.20052573      9.50578122     -8.96453685
  H     18.48692782      9.42357670    -11.91829593
  H     12.11713004     11.68049796    -12.76254935
  O     13.63321013      7.64210390    -10.98481479
  H     17.46871213      8.29375563    -16.00136760
  H     11.19867404     12.01487356    -11.56394134
  O     15.85906571     10.92244555    -12.94184904
  H     16.20565453      8.02282051    -16.90788979
  H     17.99268384      7.22842992    -10.40346853
  O     14.81470882      7.13083709    -17.52114914
  H      9.97606423      7.30190999    -14.83442298
  H     17.53357241      6.14830153    -11.41065295
  O     15.32337202      6.77024700     -8.91721236
  H     11.02273283      7.92237116    -13.87942037
  H     12.04764593      8.18416230    -11.78485900
  O     13.17935441      6.03191186    -15.53620456
  H     15.52642480      9.95919567     -9.48825450
  H     11.43946748      9.54618721    -12.17406948
  O     17.47004057      5.75383740    -13.27886189
  H     15.84866713      8.62417979     -8.78812096
  H     18.63285348      8.44945001    -14.05719515
  O     15.50984230     11.04537705    -17.37752599
  H     14.03002410      7.22511226    -11.76448407
  H     19.67155121      7.80153987    -15.00762801
  O     14.79118392      9.05148873    -14.57735575
  H     14.08659132      7.27908359    -10.21510922
  H     17.76347490      9.26097829     -9.68984314
  O     11.85734405     11.39620147    -11.86772273
  H     15.37680129     10.85703282    -12.10838331
  H     19.30007354      9.26264152     -9.51979317
  O     17.51196123      6.39401302    -10.47909836
  H     15.46969748     10.24280941    -13.51710637
  H     14.18849430     10.15195391    -18.09171251
  O     11.35892406      8.59697298    -12.32264142
  H     14.28930217      7.83151247    -17.92428187
  H     13.23710829      9.82286589    -19.26696214
  O     18.76581257      7.74048378    -14.71555595
  H     14.23622173      6.69016784    -16.88134459
  H     13.41723794     10.82406492    -11.02897467
  O     18.60152297      9.00347940    -10.11480388
  H     16.09488463      6.55153573     -9.47092566
  H     14.04444341      9.42212570    -10.86665160
  O     13.46937428      9.56039025    -18.38059715
  H     15.28528002      6.11588858     -8.22524019
  H     15.59352317     12.13782791    -14.22546831
  O     14.22473664     10.36847725    -10.76067462
  H     13.69842059      6.06424187    -14.72241088
  H     15.78970864     13.50956903    -14.90746963
  O     15.33054584     12.67715398    -14.99018665
  H     12.34856477      6.47265769    -15.32353711
  H     11.78283835      8.98480621    -15.58360426
  O     12.36906592      9.71295102    -15.82613359
  H     17.65759544      4.90109385    -13.66554967
  H     12.61114661      9.61946132    -16.75652139
          69
 Energy    -249.00188537634216     
  O     13.34169526      2.90222162    -14.29531768
  H     14.01908256      2.50444548    -14.87358476
  H     19.25299802      4.00091426    -17.01301518
  O     18.63951796      6.43925642    -12.68081653
  H     12.68186599      2.23221603    -14.13934618
  H     16.57644261      6.23049854    -16.99295566
  O     18.13204141      4.32768012    -18.28352848
  H     18.22782741      5.57196937    -12.55977007
  H     17.00725805      7.60955385    -17.52279661
  O     15.66570148      2.88433685    -18.59548425
  H     18.00751779      6.98869519    -13.16599141
  H     15.19200582      5.28001918    -15.57298131
  O     15.39289225      7.58819223     -9.85412693
  H     17.36906493      3.75236119    -18.41642661
  H     16.56802192      4.58376657    -15.26082473
  O     14.67125762      4.42275113    -12.29980840
  H     17.78414874      5.22941738    -18.27669941
  H     11.87835828      8.00682260    -14.17879294
  O     16.69639192      7.75966661    -14.18468320
  H     15.44192726      2.41622914    -19.39584106
  H     13.12054575      7.31960823    -13.58414551
  O     17.54375594      3.07382780    -14.77557185
  H     15.16294583      3.71841592    -18.61135601
  H     16.65645193      4.23969832     -9.32198945
  O     14.98593368      4.76042397     -9.51979716
  H     16.34700235      7.39245700     -9.88716757
  H     17.81721867      3.47856516     -8.63509494
  O     20.16195046      8.64136980    -16.32416525
  H     15.27969144      8.29639414     -9.22605167
  H     13.20652920      4.41080391    -15.37769030
  O     15.27876539      1.99066171    -15.91835756
  H     14.56299974      5.36545881    -12.48519656
  H     12.98550694      5.95216176    -15.37622470
  O     19.80658896      3.80760358    -16.23419402
  H     14.16848561      3.92170813    -12.95224070
  H     20.15663842      5.45573832    -15.36301028
  O     16.74795699      6.72770436    -17.80882187
  H     16.95062667      8.36419225    -14.89068942
  H     19.84532134      6.31446359    -14.10874923
  O     16.13848770      5.42723551    -15.44230094
  H     16.51041167      6.90745179    -14.61406187
  H     17.60361366      3.85989981    -11.23774151
  O     12.43191567      7.23497024    -14.26265412
  H     17.62623909      3.26951028    -13.83212203
  H     16.44778804      4.10415359    -12.24108236
  O     17.61270269      4.05715408     -9.36424317
  H     18.39152850      3.25480258    -15.20074926
  H     18.35094698      6.83119744    -10.86958382
  O     13.39186143      5.22241074    -15.86598805
  H     14.99108846      5.72561865     -9.50533323
  H     18.02424806      5.92853197     -9.66402670
  O     20.31581893      6.31303991    -14.95220635
  H     14.73254094      4.51916752    -10.42150308
  H     15.11415384      5.92658966    -18.41809840
  O     17.40456622      3.96234896    -12.17570481
  H     21.04967603      8.93232267    -16.51110868
  H     13.91584261      5.31031718    -17.65608150
  O     17.99574656      6.84315233     -9.97042863
  H     20.25109983      7.80180340    -15.83952041
  H     15.30780863      7.53469649    -13.06290893
  O     14.39791410      5.28242310    -18.49427961
  H     15.37133722      2.22537913    -16.84948430
  H     14.79306010      7.43422206    -11.59423435
  O     14.56715387      7.24049069    -12.51248211
  H     16.12378409      2.21504174    -15.50262108
  H     18.48703057      9.02006204    -16.46315564
  O     17.52395934      9.16338845    -16.50519091
  H     20.54658669      3.29164435    -16.54320731
  H     17.39114003     10.06146967    -16.79603884
          69
 Energy    -249.00169282129264     
  O     15.33217422      3.02282705    -10.71343622
  H     14.51445533      3.46404214    -10.43740591
  H     12.68154869      8.07934754    -12.97000741
  O     12.95200844      4.29643667    -10.03804563
  H     15.08096162      2.12724760    -10.96925060
  H     13.75279149      6.67015600    -16.42748891
  O     15.83840942      3.71031254    -13.38666644
  H     12.80275602      5.01756454    -10.66376237
  H     13.59822880      5.98193215    -15.05457443
  O     16.25848674      7.38552498    -13.99643747
  H     12.98600072      4.70857393     -9.16602252
  H     16.44711484      8.34798084     -8.09206064
  O     12.30036313      7.84438110     -9.49431475
  H     15.70927483      3.53918424    -12.44441671
  H     17.08384865      9.67526665     -7.60977574
  O     12.22546887      2.63086610    -12.29750858
  H     16.65231957      4.22542851    -13.48685473
  H     15.83067926      6.39005068    -10.86259312
  O     14.30096785      0.65042375    -11.88609649
  H     15.91660545      7.24268097    -13.09940519
  H     15.16503992      7.80334402    -10.92338583
  O     17.13851175      9.77638191    -12.81929280
  H     15.52679272      7.21956583    -14.59976735
  H     14.92610949      6.47668253     -7.67520528
  O     18.39035596      8.55332050    -10.66349045
  H     13.03594064      8.46063592     -9.62752018
  H     16.24577808      6.15028995     -8.40327924
  O     12.71153485      6.38749461    -11.94219903
  H     12.16812019      7.41139772    -10.34509373
  H     12.75297147      6.66370117     -8.29531899
  O     14.45668493     10.77172874    -12.48807373
  H     12.26517484      3.07385939    -11.44128391
  H     12.53363684      5.92328344     -6.95395386
  O     12.97729224      8.74956934    -13.59608115
  H     12.82527704      1.87908942    -12.21836473
  H     18.51724291      5.51896046    -12.78225294
  O     13.88090399      6.80237750    -15.49130872
  H     14.20890143     -0.27146763    -11.66082566
  H     17.54960480      6.08157336    -13.84552740
  O     16.76069255      9.22394301     -8.38456335
  H     14.77998241      0.68727785    -12.73244918
  H     12.77256074      3.85494015    -13.56142857
  O     15.29623355      6.97835599    -11.40953852
  H     16.94406764      9.01374600    -13.38137796
  H     14.20992679      4.32722811    -13.84796596
  O     15.84251113      6.75932222     -7.76802014
  H     16.29983524     10.24324559    -12.73535583
  H     15.79980997      2.03405225    -14.03315045
  O     13.08207437      5.93799331     -7.73416914
  H     18.00709174      9.04350362    -11.40583607
  H     16.26344677      0.85333500    -14.90556455
  O     18.03992092      5.28761292    -13.58772189
  H     17.91073303      8.82396911     -9.87381905
  H     17.68838426      5.33648625    -10.24872404
  O     13.27919441      4.56237550    -13.98486320
  H     13.63901727      6.59985688    -11.73633672
  H     16.47323802      4.34405358    -10.10224992
  O     15.67498843      1.08359438    -14.19196557
  H     12.74472655      5.77532338    -12.68884639
  H     18.93871768      6.95461623    -10.94342048
  O     16.81699191      5.21069414     -9.85073168
  H     13.92270195     10.08592108    -12.92631516
  H     20.11200248      5.94800332    -10.86673997
  O     19.18543223      6.02018982    -11.07809504
  H     14.08531691     11.61207014    -12.74338293
  H     14.59107772      9.97079745    -10.82283034
  O     14.56766131      9.34212896    -10.09027558
  H     13.26182243      8.24493730    -14.36767940
  H     15.32397174      9.49659342     -9.50982741
          69
 Energy    -249.00154338040494     
  O     17.53410743     10.35152536    -18.07653643
  H     17.62250943      9.63906447    -18.72077579
  H     20.45475858     10.28469253    -16.29362004
  O     14.93215649      6.03755270    -13.52859535
  H     17.26017692      9.91412254    -17.25488013
  H     15.85285975      9.43567712    -15.47967441
  O     17.58936511     13.18179198    -12.17969657
  H     14.31101196      5.31385818    -13.51375534
  H     17.37256732      9.30721092    -15.14379782
  O     15.06772103      7.42206130    -18.47115149
  H     15.21484163      6.14735906    -14.45235170
  H     15.96989662     11.39276592    -18.05202599
  O     14.85344278     11.08317816    -11.07774716
  H     17.91926436     13.07016313    -13.08059588
  H     15.17117700     12.20922804    -17.00724924
  O     14.88758031      8.71137464    -12.61696250
  H     16.65523971     13.40560838    -12.27173095
  H     16.66283639      8.70390272    -12.06356531
  O     18.15519983     12.45549288    -14.84933430
  H     15.26945682      6.93159243    -17.66266771
  H     17.70097660      9.44348777    -11.18992925
  O     14.23641231     10.06167376    -14.94310412
  H     14.48856624      8.14744767    -18.20902181
  H     13.98988690     10.42853182    -17.79509371
  O     18.56724165      5.40975338    -15.47270350
  H     14.73614138     10.22590181    -11.50659444
  H     12.59370064      9.80980341    -18.04591861
  O     16.02665069      6.42468605    -16.02663790
  H     15.74150358     11.06911252    -10.69957965
  H     18.07529016     11.42155371     -9.58887211
  O     17.76738673      6.12785850    -12.96550006
  H     14.59536340      9.19149551    -13.40583776
  H     17.71448384     11.85859838    -11.02669935
  O     20.58046827      9.47108667    -15.79319535
  H     14.79169733      7.77384998    -12.82295244
  H     19.39882040      9.64073312    -14.48838068
  O     16.69000265      9.06524516    -15.78539232
  H     18.29290732     11.57036991    -14.47271860
  H     18.45120292      9.41067799    -13.21956100
  O     15.09935701     11.76864651    -17.86396075
  H     18.70969431     12.48437767    -15.63633837
  H     14.69345515     12.55075424    -12.01784800
  O     17.58451407      8.67719650    -11.76598793
  H     13.80601070      9.86652355    -15.78505375
  H     14.11749960     13.98114221    -12.14133635
  O     13.43204382      9.64840443    -17.62038358
  H     14.56655210     10.97171109    -14.98886060
  H     18.86801189      7.50266008    -18.01602691
  O     17.64120728     11.12901410    -10.38589671
  H     18.39431179      5.68889902    -14.55602444
  H     19.20558907      6.71486766    -16.72617881
  O     18.58919027      9.91357346    -14.02849507
  H     19.06566573      4.59836441    -15.41952486
  H     16.35938599     12.55240551    -15.09085423
  O     14.73706713     13.37398940    -12.53685020
  H     16.28729792      7.35875252    -15.96192812
  H     15.08394811     12.95810659    -14.31352712
  O     19.52496901      7.40629935    -17.31824319
  H     16.84804486      5.92027166    -15.96745069
  H     20.05895902     12.35444064    -17.91550880
  O     15.39242873     12.57260192    -15.14358959
  H     16.81478265      5.98175828    -13.01155356
  H     18.92012674     11.36240048    -17.58821076
  O     19.64519892     11.88029001    -17.19875973
  H     17.87624583      6.94220716    -12.45836000
  H     17.66439552      7.55351016    -20.31552075
  O     17.56960291      7.91474792    -19.43835193
  H     20.28626999      8.74833599    -16.36886293
  H     16.65980675      7.71939423    -19.15247006
          69
 Energy    -249.00115606464840     
  O     10.93483217     10.80934925    -12.10066653
  H     11.69568965     11.24995029    -12.49618336
  H     15.82084186     13.18375884    -15.56678661
  O     13.63504519      7.81149340    -15.04139093
  H     10.43539253     10.42349102    -12.83215747
  H     16.39826990      7.94324419    -13.54347084
  O     17.39653395     10.66620362    -10.63809312
  H     13.51338281      7.07383128    -14.42867070
  H     15.02622593      8.45858074    -14.07339671
  O     17.71518132      7.98020606    -16.19396775
  H     14.12406710      7.54212293    -15.82837684
  H     10.94472710      9.51814615    -10.91836707
  O     12.04223123      9.97546630    -15.45321482
  H     17.56020075      9.82160543    -10.19841631
  H     10.36913137      8.90070725     -9.62039305
  O     15.88869239      6.48194418    -10.23004767
  H     16.45886720     10.67282427    -10.87030245
  H     19.35955900      8.86712294    -12.40839343
  O     13.31249542      6.15448513    -12.87703281
  H     17.79517605      8.89438087    -15.89650495
  H     18.90586806      7.93651617    -11.27118770
  O     14.79099494     10.30697438    -11.63081452
  H     16.87871545      7.93407834    -16.67422624
  H     10.64588776      7.53522320    -11.86474641
  O     15.13195759      7.93039521    -17.41672976
  H     11.14493720      9.77896515    -15.16149719
  H     11.42167618      6.64275931    -12.85562472
  O     15.82219554      4.87783905    -12.63290367
  H     12.56450074      9.17384606    -15.28515475
  H     19.92948127     11.36592675    -12.39313910
  O     17.44938342     10.51512040    -14.79045478
  H     15.05409610      6.96699940    -10.28953990
  H     18.56007061     10.82509154    -11.91479761
  O     15.46645550     12.33178442    -15.32382686
  H     15.89456463      5.86460846    -10.96949977
  H     18.25842977      6.96319765    -13.25340421
  O     15.79915120      8.69977697    -13.54667912
  H     14.08832243      5.58296004    -12.82461467
  H     17.70763440      6.92719285    -14.71881184
  O     10.92179176      8.71073926    -10.37332859
  H     13.41434305      6.80707824    -12.16713388
  H     17.23177761      7.48454661     -9.81656820
  O     19.25404844      7.93834177    -12.17226088
  H     14.22084472     10.86524380    -12.17322566
  H     18.31464282      7.82979049     -8.76948168
  O     10.59761515      7.12971351    -12.74054788
  H     15.24036348      9.71823075    -12.26077663
  H     14.67789738     11.16205306    -16.64398828
  O     19.20919511     10.79311132    -12.64173000
  H     14.84730551      8.86199884    -17.38336867
  H     13.34829044     10.40062633    -16.72569081
  O     17.58387834      6.56795862    -13.82816095
  H     14.99046084      7.63370462    -18.31202705
  H     13.98603428      8.82144612    -10.98763233
  O     17.98520985      8.07274322     -9.63055656
  H     16.47939282      5.41911984    -13.10469845
  H     12.68089553      8.16764506    -10.47513980
  O     14.21294339     10.48682951    -17.15100203
  H     16.12313606      3.97430804    -12.68598245
  H     14.00619885     12.02729526    -14.07722845
  O     13.58360509      7.97277786    -10.75321084
  H     16.84125056      9.88490828    -14.37260367
  H     12.81511878     11.07502888    -14.22300444
  O     13.27156018     11.64312633    -13.58441852
  H     18.14267956     10.68395697    -14.13919784
  H      8.75358595      9.12670759    -14.38872228
  O      9.67064472      9.25787576    -14.16440208
  H     16.22773118     11.75398510    -15.14612309
  H      9.97327234      8.44207620    -13.72656381
          69
 Energy    -249.00103295722187     
  O     -2.09893195      2.08942384      0.33492319
  H     -2.29430094      1.49350536     -0.39805745
  H      0.43206651      0.57592786      3.20450930
  O     -1.00841241     -2.53813882      6.97644491
  H     -1.14407017      2.23270891      0.30582466
  H     -2.37191614     -0.55381078      1.74092616
  O     -0.93998639      0.27471941      4.46963650
  H     -0.54871173     -2.50528466      6.12718033
  H     -2.67756773     -1.94624134      1.08660053
  O     -2.09083055      0.11436902      7.02188699
  H     -1.35837069     -1.64967597      7.11527900
  H     -4.93277670     -2.06790127      3.23903828
  O     -2.62272668     -4.69745621      6.63257126
  H     -1.27025882      0.38644720      5.36975963
  H     -4.59655428     -3.19417210      2.22558963
  O     -0.30802166     -2.42781308      4.23960290
  H     -0.76536017     -0.67354505      4.37465479
  H      0.88229406      1.62634427      1.09745478
  O     -1.22977167     -4.58175966      1.35031549
  H     -2.98754613     -0.14483038      6.73816049
  H      1.33918592      2.91905666      0.37916684
  O     -5.09733552     -3.37269667      6.01888172
  H     -2.19503269      0.68650899      7.77692377
  H     -6.01753329      0.25257197      3.12484131
  O     -2.22790534     -0.23085046     -1.37818748
  H     -2.05780587     -3.93523746      6.85313775
  H     -4.46948061      0.23833159      3.12936100
  O      0.50292992     -2.23266460      1.57329232
  H     -2.44364554     -5.37172026      7.28203567
  H      2.33949580     -2.52734868     -1.42203098
  O     -0.83046233     -4.01725030     -1.43657589
  H     -1.04990331     -3.03752695      4.11486290
  H      1.19196609     -1.49364492     -1.28324903
  O      1.01329648      0.52267698      2.43461276
  H      0.18940673     -2.43818671      3.41368982
  H     -2.22373924      0.82977099      3.30268630
  O     -2.00620625     -1.26119006      1.19523206
  H     -1.58679734     -4.69843391      2.24281314
  H     -2.65438069      1.45454359      1.90989333
  O     -4.72534541     -3.00900024      3.16509825
  H     -0.55631363     -3.89565328      1.43566768
  H      0.70686316      0.82494730     -1.01687031
  O      0.74705711      2.17549900      0.30468292
  H     -4.33005343     -3.89150661      6.29008808
  H     -0.41522012     -0.00294181     -1.67405731
  O     -5.26069923     -0.24670423      3.42104620
  H     -5.12372338     -3.41598274      5.05515950
  H     -3.52317649     -3.20634759     -2.94563452
  O      1.48068203     -2.39061868     -1.03177840
  H     -2.64314504     -0.97637393     -1.82484396
  H     -2.31416719     -3.26108874     -1.98122180
  O     -2.94058398      0.90848422      2.65777170
  H     -2.08651850     -0.53799386     -0.46907417
  H     -4.82398385     -0.40259774      5.28551786
  O      0.54546663      0.06085487     -1.58326760
  H     -0.37124789     -1.83587401      1.41013970
  H     -4.74891248     -1.59510560      6.25029062
  O     -3.17249976     -2.82869185     -2.14323754
  H      0.95254947     -2.30895616      0.72234374
  H     -2.43298907     -4.59361691      4.78973643
  O     -4.51155367     -0.66096011      6.15903016
  H     -0.92390098     -4.44236060     -0.57560515
  H     -3.17686424     -3.81247207      3.67218408
  O     -2.35603874     -4.28237975      3.87902055
  H     -0.01487097     -3.50248364     -1.39356419
  H     -2.91373112     -3.94102196      0.77190729
  O     -3.70033377     -3.40705399      0.58860547
  H      1.01964636     -0.40236209      2.16659076
  H     -3.70519841     -3.23351360     -0.36100621
          69
 Energy    -249.00102319178347     
  O     17.74792143      8.72095714    -12.99050534
  H     17.99746081      8.62796771    -12.05939214
  H     16.51282173      9.54134654     -8.27866704
  O     11.80106912     11.27867016    -11.03867551
  H     18.38789232      9.32187695    -13.39135940
  H     13.96418145      8.75924734    -10.68625295
  O     11.02089939      9.36752657    -13.00729296
  H     12.58158804     10.72650542    -10.85723675
  H     14.47095520      9.90050445    -11.59105659
  O     16.16550431      6.45227694    -12.76093851
  H     11.47775935     11.58421630    -10.19528172
  H     18.46544709      7.33684751    -10.45605945
  O     19.17226472     11.03637635    -10.96916421
  H     11.24576257      9.83938811    -13.81840008
  H     18.00836206      8.48389477     -9.53700985
  O     15.70223391     10.91461123     -8.90408547
  H     11.14852492     10.00518891    -12.29449286
  H     16.11641076     12.92726298    -11.95396435
  O     11.83051522      6.80948861    -12.65391760
  H     16.71799415      5.95559381    -12.14531024
  H     15.55048293     11.85172520    -12.90713505
  O     16.27119318     10.87976207    -16.70498814
  H     16.69383537      7.22545645    -13.00617676
  H     17.11797507      5.70271503     -9.95661910
  O     13.97537153      6.86515548    -14.56643859
  H     19.38146771     10.99318615    -11.91166219
  H     18.21721100      4.70162550    -10.39075860
  O     14.24287105      9.41612273    -15.52040262
  H     19.10214519     10.12306475    -10.66856471
  H     16.23002880      9.65659154    -13.05254458
  O     11.93504588     10.95998291    -15.18090667
  H     15.06430576     10.54031682     -9.52792595
  H     14.95042104      9.86445115    -13.91649663
  O     16.98596259      8.73133598     -8.01674365
  H     16.16585255     11.61814728     -9.37334582
  H     18.85514605     11.37462810    -14.15055335
  O     14.01061387      9.72069087    -10.75667567
  H     11.51533161      7.72302914    -12.77491915
  H     20.28647745     10.80797556    -14.31733039
  O     18.51083407      8.29448303    -10.34114489
  H     11.06331732      6.24567263    -12.70441975
  H     16.94223000     12.69471861    -14.17130784
  O     15.62528941     12.81100959    -12.77594605
  H     15.56273466     10.32219616    -16.34730843
  H     17.14383939     11.90217110    -15.48942078
  O     17.81287123      5.53396561    -10.61937108
  H     16.30814768     10.68722144    -17.63846593
  H     13.22729601      6.82328343    -11.44155507
  O     15.37038366     10.09665547    -13.07871658
  H     14.74544023      6.58916295    -14.05382123
  H     14.76815668      6.82588329    -11.59321176
  O     19.50579479     10.75328793    -13.77400880
  H     13.21633403      6.77356450    -13.97792427
  H     17.59791277     13.59483638    -10.02488302
  O     17.61363110     12.36294627    -14.77845101
  H     14.10633919      8.48545378    -15.28696013
  H     17.92233107     12.19821590    -10.60041449
  O     14.05117164      6.95888338    -10.95621445
  H     13.39511651      9.87723756    -15.48439171
  H     13.78062731     12.88384123    -13.13586769
  O     17.19616283     12.81595471    -10.40192053
  H     12.28270029     11.63057523    -14.56437135
  H     12.48722542     12.33934854    -12.47999327
  O     12.85206287     12.67930327    -13.30646141
  H     11.41393336     11.42657631    -15.82866738
  H     15.09755702      6.47646380     -9.48946126
  O     15.84525293      6.27207461     -8.91086166
  H     17.30811233      8.87530769     -7.13097862
  H     16.12663868      7.10753750     -8.51693793
          69
 Energy    -249.00053046841526     
  O     15.43865027     10.39098364    -15.16564099
  H     15.97031405     10.91077426    -15.77884956
  H     17.45109320     12.92102450    -16.67321132
  O     17.85029390     14.73617862    -16.98946934
  H     15.16691661     11.00344940    -14.46410360
  H     18.14649654     11.58518467     -9.78448707
  O     21.26123049      9.71585253    -15.22653743
  H     17.53814406     15.28330154    -17.70528357
  H     18.70540439     10.15519917     -9.97326141
  O     18.75374725     13.28707709    -10.22759489
  H     18.76661558     14.48116475    -17.20340841
  H     20.82047922     16.66334340    -12.52573310
  O     14.98415036     12.01072289    -12.91514736
  H     21.28486084     10.46819429    -14.60886312
  H     19.35269520     16.46430446    -12.95050158
  O     20.32124876      9.29978290    -10.55134818
  H     22.13480386      9.33096408    -15.22263228
  H     20.30341335     12.42872497    -10.60728337
  O     15.65847716      9.90936555    -11.05472352
  H     18.20522660     13.44846650    -11.00997564
  H     20.98472904     11.03550127    -10.63082863
  O     19.94378470     10.93575617    -17.37879124
  H     19.06279654     14.14840169     -9.92296684
  H     16.42948040      9.35160974    -14.08500083
  O     21.22218473     14.30837475    -14.72647639
  H     15.62333460     12.71266293    -12.74578274
  H     16.52895485      9.21504276    -12.54441353
  O     19.87939343     15.80756643     -9.71532973
  H     15.12626864     11.35538542    -12.22040550
  H     20.36164363     12.84410775    -17.40257042
  O     20.98666478     11.82976098    -13.54884934
  H     20.11552046      8.97309994    -11.44472316
  H     20.79849923     14.01519124    -16.48980828
  O     17.44299868     11.97370134    -16.48748477
  H     20.64572352      8.55246667    -10.05539299
  H     23.38983302     16.42407509    -12.89270425
  O     17.90544154     10.64965747     -9.76077082
  H     16.43454988     10.18429780    -10.53488401
  H     22.55544452     15.40718823    -12.07604343
  O     19.90964763     16.80857187    -12.24087152
  H     15.04566986      9.50779492    -10.44474075
  H     19.53173739     14.98617128    -14.43703592
  O     21.13677092     11.97304696    -10.80381945
  H     20.03675960     10.38129502    -18.15086832
  H     18.22884253     15.29670866    -15.19404210
  O     17.00861784      9.05107289    -13.36676604
  H     20.37757357     10.46694072    -16.64957271
  H     22.06953167     13.59450061    -10.61813933
  O     20.37591423     13.80547700    -17.33560536
  H     21.21155466     13.43503336    -14.30922556
  H     21.55725073     14.97061978    -10.15020974
  O     22.57403561     15.93101141    -12.89746204
  H     21.77800637     14.87959901    -14.18212499
  H     20.12406107      8.74816361    -13.84928845
  O     18.64889871     15.37012486    -14.32966561
  H     19.81418326     16.21184534    -10.59937454
  H     18.73991520      8.49567050    -13.20530175
  O     22.29507638     14.53347960    -10.59435942
  H     19.69764566     16.49708133     -9.08264505
  H     17.91242735     10.63673466    -13.64105940
  O     19.69417236      8.42618938    -13.05189615
  H     20.02796928     11.70903303    -13.65600782
  H     17.99340364     11.67657900    -14.79085109
  O     18.33966548     11.45790763    -13.91477108
  H     21.15599901     11.89018236    -12.60027444
  H     17.65138744     12.81427113    -12.98101074
  O     17.33867070     13.63115201    -12.56251995
  H     18.23356220     11.59652848    -16.89431249
  H     17.68236628     14.34442406    -13.11488644
          69
 Energy    -249.00040082870277     
  O     17.47516187     11.04353118    -14.45070895
  H     16.67299218     11.57731387    -14.50363947
  H     15.91215767     12.82603508    -11.46991039
  O     15.10644650      6.75817927    -11.18423079
  H     17.57097996     10.77867476    -13.52978894
  H     14.89108566      8.48392249    -11.72954039
  O     11.72503769      8.57296281    -13.45423135
  H     14.16271067      6.55787102    -11.23099289
  H     14.38998709      9.95862544    -11.50583040
  O     13.42130205     11.09811674    -10.47053975
  H     15.50386900      6.43966060    -12.00771972
  H     17.78630391      9.69995826    -15.49405935
  O     13.59969541      5.89035890    -16.64737421
  H     12.42007242      9.06878476    -13.90629974
  H     18.59160487      9.04034393    -16.64083529
  O     16.07039825      6.04834149    -13.65829446
  H     11.46606437      7.84749069    -14.04288867
  H     12.02887089      5.05587307    -12.38032902
  O     13.94328899      9.88284707    -14.56124232
  H     13.63537859     10.66558487     -9.63268319
  H     11.33879313      3.68150089    -12.53228846
  O     14.30521177      4.11379652    -14.49046633
  H     12.52149418     10.84418177    -10.71325251
  H     17.71391226      6.96385629    -13.37373996
  O     14.14170239      9.50028073     -8.29112566
  H     13.67104961      5.76526513    -17.59035580
  H     18.38531641      8.00149998    -14.27905772
  O     16.39850148      8.40366750     -9.36392457
  H     14.23852969      6.58264889    -16.40829625
  H     10.06946361     10.41671925    -11.39298276
  O     11.83368435      8.10702614     -9.32894578
  H     15.82368145      6.69923109    -14.32811115
  H     11.14336388      9.53856855    -12.07337420
  O     15.04551794     12.90953858    -11.89173679
  H     15.57160006      5.24778489    -13.87683116
  H     12.12877609      6.98193099    -10.67410883
  O     14.88487330      9.37718233    -12.09765912
  H     14.32852665      9.66592472    -13.69463804
  H     12.21252744      7.24967614    -12.20273046
  O     17.92711640      8.86662195    -15.97987288
  H     14.17997586     10.80379152    -14.72022802
  H     11.37618881      5.57563962    -14.38828892
  O     11.86555058      4.32454065    -12.99989078
  H     13.50251623      4.06977442    -13.95637405
  H     12.03554048      6.21306696    -15.62232648
  O     18.36856233      7.67460438    -13.37192376
  H     14.05279954      4.57720277    -15.29904025
  H     17.68219359     11.43341346    -11.05381137
  O     10.93700262     10.04071201    -11.26671601
  H     14.97280679      9.11860108     -8.62353626
  H     18.40877999     12.71722888    -10.62585888
  O     12.35927973      6.57756054    -11.52371472
  H     14.27896822      9.68579224     -7.36565315
  H     14.82953095      8.56728077    -15.42265608
  O     11.33121047      6.34108432    -14.97436487
  H     16.03281476      7.67494494     -9.88864025
  H     16.23247031      8.14683319    -15.95235056
  O     17.54005287     12.34972985    -10.76998294
  H     16.99879989      8.86743634     -9.95429861
  H     14.87656421     13.31216968    -14.99721860
  O     15.34295820      7.82119016    -15.76378600
  H     12.59819810      8.50966314     -8.89947619
  H     14.99249317     12.68078743    -13.58948624
  O     15.01301621     12.48449307    -14.54477399
  H     11.42047319      8.80410473     -9.85430775
  H     16.62505534      9.69124394    -11.90988125
  O     17.58362800      9.77395341    -11.78574039
  H     14.42822520     12.41087101    -11.34219865
  H     17.98646946      9.02702511    -12.25331881
          69
 Energy    -248.99986723354385     
  O      2.00577472     -0.67635697      4.28703039
  H      2.22335767      0.15753804      3.85786434
  H     -2.53710340     -1.09384559      4.58775570
  O      1.98511616      2.90348988      5.32133086
  H      1.37211879     -1.12858969      3.71176371
  H      0.47712601      1.05995611      0.38523528
  O     -2.20772569     -3.65545401      7.28172043
  H      1.11935972      3.19981710      5.63009230
  H      1.01845475      1.18710029      1.82644278
  O     -0.75085308     -0.44094360      9.84808045
  H      2.45532850      2.59134968      6.10321823
  H     -2.48646752      1.42676803      5.47392362
  O      2.12107524     -4.58784890      5.86408409
  H     -1.25710044     -3.57135369      7.44471746
  H     -2.32794850      1.96938390      4.04491396
  O      0.07395042     -1.73317232      2.61098754
  H     -2.61674780     -2.94753757      7.79167660
  H     -2.48963218      0.12535334      2.75085391
  O      0.26505254     -4.22304392      3.93133600
  H      0.02727269     -0.99810558      9.96982060
  H     -1.43285238      0.98537576      2.03227274
  O      3.65593857     -2.17446696      5.98746982
  H     -0.43532327      0.35367305      9.39766877
  H     -1.19093535      3.13857759      5.85174917
  O      2.99575016      1.98423186      7.84736783
  H      1.48377087     -4.48221089      5.13441835
  H     -0.88122504      4.46341084      6.58755780
  O      3.43796857     -0.81587365      8.37897850
  H      2.44622728     -5.48258713      5.81603442
  H      0.36084690     -1.51128427      6.85616654
  O      1.62864782     -2.04066005      9.93178246
  H      0.16242369     -0.99474138      1.99709291
  H      0.88877216     -0.58610566      5.71829905
  O     -2.46019625     -1.55506459      3.73969843
  H     -0.80343966     -1.64969324      3.01504477
  H     -3.11991555     -4.93779788      4.55969720
  O      0.34315227      0.75564124      1.27996424
  H      0.30486742     -3.45616414      3.34645019
  H     -2.43825234     -4.03258523      5.61364769
  O     -2.31475430      2.23614486      4.97358728
  H     -0.66447709     -4.31845408      4.17366834
  H      0.31477384      0.76262607      7.54171964
  O     -2.29424882      1.02611219      2.46225274
  H      3.18349548     -1.63978312      5.33501100
  H     -0.08187769      2.26395756      7.64344608
  O     -0.53368937      3.59390273      6.41103551
  H      3.25879851     -3.05126773      5.93218270
  H     -2.24993423     -1.03921607      9.16840305
  O      0.26425005     -0.63892751      6.45200386
  H      2.05961435      1.84696207      8.07440844
  H     -3.77565710     -1.20784396      9.34553672
  O     -2.49765669     -4.22258994      4.65942990
  H      3.35106247      2.58273095      8.50081824
  H      1.11744508     -3.69655447      7.12646716
  O      0.30739092      1.53092733      8.13664228
  H      3.58753058     -1.30164359      7.55342883
  H      0.91974639     -2.91396285      8.47295559
  O     -3.06372326     -1.33886876      8.72526951
  H      3.40956276      0.11795737      8.14893449
  H      2.18944074      2.25725484      3.75665674
  O      0.49655005     -3.16668849      7.64259909
  H      2.06744750     -2.39487499     10.70001362
  H      3.22896163      2.06764574      2.62918351
  O      2.35797257      1.80030416      2.91216313
  H      2.30764193     -1.57274500      9.41022402
  H     -2.80360757     -0.57923559      7.02941733
  O     -2.44621302     -0.25956905      6.19392456
  H     -2.59302563     -2.48979338      3.94010613
  H     -1.48619642     -0.38978641      6.24292421
          69
 Energy    -248.99961411358561     
  O     -6.81270774      2.02968168      0.36244385
  H     -7.25732467      1.49832043     -0.31014009
  H     -4.24656028     -0.32778201      3.29817658
  O     -4.16582506      2.76756818     -3.18605615
  H     -6.48054267      2.82784296     -0.07457405
  H      0.15916906      1.95609999      1.95115841
  O     -3.75214849     -1.23445864      1.84778709
  H     -4.53815347      3.04449385     -4.02013242
  H     -0.88365401      0.81548128      1.94154657
  O     -1.26542133     -0.67868972     -1.62585741
  H     -4.55007036      1.89711565     -2.98634463
  H     -1.62661114      2.50335191      0.86437524
  O     -5.13826493      0.33601485     -2.34042257
  H     -4.12842181     -2.01881646      1.43073593
  H     -2.65831780      3.61163675      0.51569933
  O     -4.86538391     -3.21568773      0.24338222
  H     -3.94488071     -0.48975207      1.25337935
  H      0.77241118     -0.94061031      1.10007777
  O     -3.69858094     -2.06018373     -1.90945197
  H     -0.34450999     -0.88537732     -1.82935514
  H      1.85182737      0.15279420      1.01805597
  O     -1.56133449      2.01869610     -2.33405738
  H     -1.41930755      0.22817374     -1.92535659
  H      2.51221171      2.68061762      1.12963044
  O     -1.10261147     -0.81190574      1.17252408
  H     -6.09128605      0.24313665     -2.21023192
  H      1.56028742      2.10215334      0.05736933
  O      1.52906141     -0.95893085     -1.87183977
  H     -4.75560188      0.46091105     -1.45718486
  H     -7.65435228     -0.55818191     -0.85912214
  O     -7.05335569      0.20631883      2.49437922
  H     -4.44137198     -2.85573797     -0.55705144
  H     -8.68378997      0.00921799     -1.86884247
  O     -4.56269722      0.30158809      3.96845428
  H     -4.85508220     -4.16492474      0.15813474
  H     -3.73198704      1.95290172      3.55705480
  O     -0.74158359      1.73275448      2.21953926
  H     -2.80805866     -1.69067547     -1.84216236
  H     -2.32890519      2.40259029      3.09636898
  O     -2.17520301      2.85970237      0.15192149
  H     -4.24727546     -1.34484451     -2.25420405
  H     -6.49218799     -2.21263302      0.39057730
  O      1.68985610     -0.78130945      0.83720907
  H     -2.33778109      2.28722355     -2.83624522
  H     -7.19209094     -1.09747210      1.22260624
  O      1.76664293      2.09859031      1.00926685
  H     -1.71533522      2.36923608     -1.44094831
  H     -5.10912954      1.33386113      0.38392237
  O     -7.80239609      0.13558085     -1.53017526
  H     -1.95948307     -1.09683839      1.51367714
  H     -3.57388604      1.60222878      0.22354060
  O     -3.22120447      2.72318813      3.28048119
  H     -1.19773895     -0.75178407      0.21105020
  H     -3.71812102      3.98058809      2.15988374
  O     -7.25266599     -1.62258657      0.40999478
  H      2.15925062     -1.55738398     -2.26280461
  H     -3.81870867      5.49505775      1.86770445
  O     -4.25075626      0.91549411      0.22505106
  H      1.67443545     -0.98227369     -0.90878483
  H     -4.89325986      4.35124760     -0.13977894
  O     -3.84425607      4.63780340      1.45095252
  H     -7.05134483      0.97208473      1.90346836
  H     -4.91203446      3.75459208     -1.57842194
  O     -5.47121073      4.07661894     -0.86288288
  H     -6.29293957      0.31385471      3.07521891
  H      0.31204293      2.04629861     -2.01149136
  O      1.19170516      1.88193765     -1.64893061
  H     -4.50157716     -0.14135204      4.81168577
  H      1.39671554      0.96383320     -1.86607210
          69
 Energy    -248.99960009025051     
  O     12.60622932     11.55287420    -14.65616459
  H     12.57601049     10.78784163    -15.24859171
  H     20.07582742      8.42315832    -14.80854684
  O     15.40451960      6.58955524    -13.20161482
  H     13.44721952     11.98872592    -14.83129683
  H     16.59090805     10.18630134    -16.99588108
  O     18.05596935     10.06583934    -12.11945914
  H     15.30459463      7.42608057    -13.68453937
  H     15.32908745     10.37369183    -17.82977060
  O     11.72758920      6.80479149    -15.20156879
  H     14.90660199      6.71162465    -12.38280921
  H     15.25741279      9.72281256    -13.92409113
  O     15.54468426      9.78615284     -8.64697637
  H     18.17119113     10.16739828    -11.16586755
  H     14.32365861      9.09623362    -15.01541626
  O     13.94940745      7.40108904    -10.97026681
  H     18.05069321      9.11340951    -12.28164415
  H     11.94279556     10.99756387    -13.14549046
  O     15.70238900     11.13538895    -12.89529820
  H     10.90121845      6.34991966    -15.33837060
  H     10.80713779     11.11446523    -12.10215560
  O     15.65957179      6.64803448    -17.77550639
  H     11.72754136      7.11217830    -14.27561370
  H     18.07432881      7.15146243    -10.64991245
  O     15.48738632      6.90201804     -8.68635750
  H     15.43219518      8.83569404     -8.52368221
  H     18.19368212      8.17813951     -9.50551905
  O     17.19920258      8.52878245    -16.27222622
  H     14.95137306     10.03313454     -9.36966539
  H     12.43810628      7.51379887    -12.06181040
  O     14.32986204      5.72641365    -15.63068186
  H     14.38689455      7.11198192    -10.16023057
  H     11.62431883      8.72188262    -12.57614061
  O     19.43949615      7.71077023    -14.82937918
  H     14.02364457      8.36685453    -10.98631866
  H     17.16389294      6.91151739    -12.74884933
  O     15.97591922     10.86248356    -17.30988217
  H     16.60916703     10.86040690    -12.68081623
  H     18.58846678      7.26585996    -13.27338610
  O     15.13590559      8.96647320    -14.51230716
  H     15.70909123     11.74896280    -13.63789823
  H     18.61857224     10.61606404     -8.62657233
  O     11.58393256     10.60958437    -12.32753584
  H     15.18120488      6.28731988    -17.00569320
  H     17.23255936     10.06078357     -9.02759839
  O     17.97235673      7.25797078     -9.69357444
  H     16.05907610      5.90625273    -18.22183703
  H     13.93716007      8.82635940    -19.45589346
  O     11.76282214      7.77530553    -12.70129553
  H     15.50724832      6.26400944     -7.97880904
  H     14.72053520      8.09068711    -18.34488227
  O     18.03318035      7.23914731    -12.48267552
  H     16.39291153      6.95304489     -9.04398867
  H     13.12588569     10.40187261    -11.29270703
  O     18.17148819     10.09130672     -9.28471295
  H     16.82794231      7.84188723    -16.83804686
  H     14.63054864     10.58859866    -11.59303757
  O     14.21272873      8.89385605    -18.54485526
  H     16.52672737      8.70060782    -15.59369718
  H     15.51287126     11.98285617    -16.01854246
  O     14.00827343     10.20262453    -10.95851729
  H     13.41241102      5.99915063    -15.50976324
  H     15.46441450     13.45507002    -15.55820772
  O     15.25287016     12.56603860    -15.28490691
  H     14.75132942      5.83550283    -14.76704090
  H     13.19956622      9.10432531    -17.00273102
  O     12.82324238      9.20647490    -16.12025437
  H     18.71056132      8.02653783    -15.38579499
  H     12.37519562      8.38187355    -15.88962306
          69
 Energy    -248.99944419194964     
  O     14.04352762      9.89522541    -10.83317277
  H     13.90837715     10.37753604    -11.65995420
  H     16.64588785      3.25345504    -10.62715224
  O     13.75447580     10.38862161    -16.89820821
  H     13.34181489      9.23299173    -10.74698959
  H     12.08592078      7.36967234    -11.55216807
  O     16.86368155     10.91416714    -13.50379514
  H     13.62452252     11.24607674    -16.47433115
  H     13.03121312      7.02461730    -10.38765153
  O     13.84602250      4.91560682    -12.73698608
  H     13.40031395      9.73294340    -16.28391380
  H     18.79946022      7.18286607    -13.18260461
  O     16.21641889      7.17431185     -8.13157509
  H     15.90523476     10.86545462    -13.38562980
  H     18.49147726      7.49064589    -14.65182891
  O     16.50111419     12.58700080    -15.74902574
  H     17.27162452     10.93211470    -12.63013231
  H     14.78335043     12.86841552    -15.53817384
  O     15.69515865      7.90674472    -11.94392111
  H     14.04755069      5.11972044    -11.81598525
  H     13.49375948     13.72632141    -15.50918236
  O     14.02811813     10.86614085    -13.40235139
  H     14.70108380      4.84889042    -13.17868734
  H     12.47905011      8.04142177    -14.31883743
  O     18.43603448      8.07294095    -11.55861566
  H     17.03404660      6.84135437     -8.54483029
  H     13.92277338      8.13468944    -14.84098366
  O     18.09313733     10.81379214    -10.94906833
  H     16.32014856      7.07131993     -7.18912892
  H     16.49421200     10.31991322    -18.52437334
  O     16.61371534      5.02175963    -13.62721692
  H     16.59493341     11.93791753    -16.45757572
  H     15.43986406     10.31949799    -17.39227569
  O     16.83836660      4.14730403    -10.90341993
  H     16.78008267     12.13318759    -14.94181496
  H     10.98153904      6.11984291    -13.48487146
  O     12.40322937      7.68567622    -10.69653054
  H     15.53791754      7.77646343    -12.88680033
  H     12.49062992      5.97356309    -13.18537064
  O     18.70189810      6.76620354    -14.04953422
  H     15.16125815      8.64854332    -11.63174346
  H     15.13238505      6.32082947     -9.39045432
  O     13.82085488     12.83939897    -15.38906487
  H     13.66214610     10.09286112    -13.85592175
  H     15.12436262      6.62697548    -10.90118406
  O     13.09063244      8.63085204    -14.77314042
  H     13.86258630     11.62585781    -13.97364239
  H     18.52470265      6.85077875    -10.19695756
  O     16.39432415     10.37459170    -17.57777871
  H     17.47978344      7.98082729    -11.69524717
  H     18.06140157      5.39672237     -9.98479803
  O     11.76856151      6.61902107    -13.28024123
  H     18.57087922      9.00636475    -11.36202157
  H     16.19557041      7.87154290    -15.00969720
  O     14.80683768      5.98897037    -10.23777272
  H     17.45732892     10.52121452    -10.27107301
  H     15.81387779      6.46656050    -14.44975672
  O     18.33136626      6.19251555     -9.51344723
  H     18.62928200     11.49290306    -10.54866833
  H     15.41127681      9.99770494     -9.64342251
  O     15.45960880      7.33407435    -14.68316662
  H     17.41160096      5.53316304    -13.84195105
  H     16.24557576      9.02369267     -8.78282023
  O     16.25544903      9.90185931     -9.17750219
  H     16.78566707      4.63796396    -12.75959518
  H     17.25494860      9.40862737    -16.23620875
  O     17.53570270      8.99152516    -15.41206723
  H     16.10373766      4.69886578    -10.59278419
  H     17.40246851      9.64735132    -14.71179969
          69
 Energy    -248.99908950859970     
  O     14.77438264      4.48279982     -9.77148142
  H     14.93823044      5.34714930     -9.36932393
  H     14.77291765      7.91553259    -17.21745007
  O     12.25263674      4.81651819    -10.98301529
  H     13.91688111      4.55581016    -10.21277402
  H     17.12356898      5.60942944    -15.52585824
  O     16.58934889      3.56028792    -11.69500114
  H     12.08471813      3.86386448    -10.99459563
  H     15.87494622      4.72133321    -15.29609826
  O     18.92143330      5.98504137    -14.95991393
  H     12.64029730      5.04596342    -11.84268398
  H     15.94878613      9.57577817    -11.02857147
  O     12.82407450      9.14901766    -12.10406005
  H     15.99485107      3.93757605    -11.03088064
  H     16.06039764      8.05250456    -11.19461723
  O     12.29159449      2.07519666    -11.04230699
  H     17.33485647      4.16575034    -11.79457278
  H     16.66265078      6.35271559    -12.50158364
  O     14.31447456      1.87145102     -8.98673785
  H     18.98808578      6.92684983    -14.71796284
  H     16.01599308      7.58335948    -13.20534390
  O     18.95613468      8.51874818    -14.01580046
  H     19.67164005      5.78648551    -15.51409423
  H     13.73705084      0.16320828    -13.60979355
  O     18.97204421      8.13417933    -11.14701746
  H     12.57394775      8.54762409    -11.39514012
  H     14.59570195      0.88063252    -12.54122057
  O     13.61095726      5.45786752    -13.23404012
  H     12.65699657      8.69346298    -12.94293382
  H     11.37350817      7.51148198     -9.45470646
  O     16.26201589      9.08971763    -14.24312625
  H     12.72352454      1.72464185    -11.83043558
  H     12.10506027      6.43842630    -10.28823971
  O     14.83908633      7.81559275    -16.27152182
  H     12.87651603      1.86272176    -10.30462422
  H     18.69560397      6.37529151    -11.80752966
  O     16.19217931      5.50900015    -15.75499121
  H     14.26688600      1.75521551     -8.04136007
  H     18.65603951      5.61635851    -13.16780493
  O     16.33535933      8.78964831    -10.62461848
  H     14.53384701      2.80568809     -9.14144152
  H     14.71495001      2.54616432    -14.01015900
  O     15.86284379      6.88994453    -12.54776312
  H     19.08040904      8.51482510    -13.05983914
  H     15.74406132      3.45418150    -13.31239885
  O     13.90442979      1.01505203    -13.21479229
  H     18.05283598      8.83708146    -14.16302430
  H     16.24721175      1.75119293    -11.41672573
  O     12.17079720      7.34899984     -9.95361781
  H     19.56558796      8.41032047    -10.45308383
  H     15.34077212      1.05607182    -10.39425641
  O     18.37041905      5.57848696    -12.24466110
  H     18.08430413      8.43304417    -10.88918218
  H     12.78978279      6.85939379    -14.10032451
  O     15.20990386      3.36746190    -14.11660005
  H     14.34813363      6.01537609    -12.94139354
  H     13.25304113      7.84590251    -15.16968842
  O     15.78010992      0.92123295    -11.24315359
  H     14.01654980      4.68254549    -13.64015164
  H     15.37980354      7.76534004     -9.30508401
  O     12.60162120      7.73444138    -14.46841839
  H     15.77730528      9.71782736    -13.69266372
  H     13.92461438      7.27718971     -9.17892451
  O     14.82930125      7.08733846     -8.89693443
  H     15.70851953      8.81555486    -14.98626687
  H     14.17173437     10.15550875    -12.19264826
  O     14.99888840     10.66903263    -12.27377412
  H     15.28145799      6.96211428    -16.11210809
  H     14.75732849     11.58979776    -12.23693760
          69
 Energy    -248.99885402938088     
  O     10.90058561     10.68952667    -11.62970308
  H     11.58276193     11.03127980    -12.21937872
  H     15.99219166      6.50748116    -16.67828285
  O     13.60478268      6.98471377    -14.36323329
  H     10.35223792     10.09946603    -12.16300528
  H     15.58807452     11.32555609    -15.63071020
  O     17.43730429     10.27982581    -10.66196953
  H     14.33230316      7.59417810    -14.15659256
  H     14.85616290     12.55856722    -16.20469211
  O     18.52271453      8.54693479    -16.84766285
  H     13.73751626      6.71575167    -15.27978164
  H     15.45521607      9.20086307    -12.97716468
  O     11.71895400      8.97420804    -14.73006383
  H     17.60159429     10.95353835    -10.00580612
  H     16.15605480      9.21216772    -14.35981408
  O     16.54933707      7.63462444     -9.92509812
  H     16.54089177     10.43755560    -11.00399314
  H     10.80192490      9.51028972     -8.67076100
  O     13.43232752      6.13887149    -11.74430440
  H     19.04735433      8.45460649    -17.63792191
  H     11.14348047      9.77730510    -10.15793974
  O     14.88376169     10.34751696    -11.66321423
  H     17.96032336      7.75335957    -16.78719843
  H     18.82400177      7.28729335    -13.89604810
  O     16.10136643      5.29209769    -11.21418072
  H     10.89034187      8.81379471    -14.26358088
  H     19.31850056      8.12358830    -15.08586395
  O     17.07629706     10.43603954    -15.37543116
  H     12.30036421      8.22148309    -14.54693126
  H     11.59778650      6.52822660    -11.36547140
  O     14.18433046      6.84001351    -17.10102816
  H     15.63218974      7.90998781     -9.78720619
  H     10.88119490      7.57909086    -10.48562151
  O     16.92560011      6.41214134    -16.45498165
  H     17.02983192      8.43697357    -10.15700411
  H     19.08984332      9.60138884    -13.43888101
  O     14.71180244     11.72949037    -15.75505669
  H     14.27353856      5.70491807    -11.55512913
  H     18.37704144     10.40268937    -12.32336403
  O     15.67570499      8.65094448    -13.73825043
  H     13.44003912      6.34575112    -12.69054705
  H     16.88207011      5.82735712    -12.87621879
  O     11.26617812      9.15110503     -9.42156042
  H     14.44964582      9.70029351    -11.08783631
  H     16.69873611      7.16855844    -13.60932035
  O     19.47091053      7.95865751    -14.14786952
  H     14.21531811     10.71223365    -12.25793379
  H     12.66787201      9.34438139    -16.29904594
  O     10.74774973      6.96037823    -11.21479998
  H     16.35020894      6.10379807    -10.73518781
  H     13.87216219     10.22779440    -16.65458111
  O     18.71243661     10.46839971    -13.22356890
  H     16.43222164      4.55949971    -10.70087787
  H     12.99455645      8.62801809     -9.71395691
  O     17.17878955      6.32697547    -13.64366589
  H     17.66218627     10.59092952    -14.61572315
  H     13.66080390      7.59582064    -10.66929345
  O     13.39102951      9.44140082    -16.93452997
  H     17.55695681      9.86925518    -15.99203477
  H     12.54931691     10.38072819    -13.93870178
  O     13.83922290      8.34887242    -10.08725586
  H     13.76900566      6.44427450    -17.86286940
  H     13.56876244     11.48919178    -14.24822371
  O     13.00598093     11.13993944    -13.54629157
  H     13.96297844      7.78821063    -17.12248105
  H      9.93363254      7.92497207    -12.42018800
  O      9.54790655      8.57514683    -13.03475283
  H     16.97659831      6.20743526    -15.51131546
  H      8.62486108      8.35631372    -13.12701961
          69
 Energy    -248.99838081159567     
  O     -0.42712082     -0.44440594      2.76800013
  H     -1.06210497     -0.91064987      3.32651126
  H     -4.30175437      0.08539210      3.09335854
  O      1.43274910      2.91968159      2.18343076
  H     -0.76647717      0.44863509      2.61718946
  H     -4.73898303      3.65448004      5.60975582
  O     -0.56510662     -2.39438240      8.12967711
  H      1.57033586      3.41209951      3.00029240
  H     -4.31307970      2.16799268      5.62893421
  O      3.38251072      0.41577098      7.72636380
  H      2.15544252      2.28503909      2.10532522
  H     -0.97606352      2.55610127      5.99315436
  O     -0.08834847     -3.42173666      5.43068552
  H     -0.24299687     -2.77452071      7.30463043
  H     -2.21150986      3.25376498      5.35861649
  O     -2.15428931     -1.77299562      4.53763404
  H      0.08325629     -1.73439449      8.40770636
  H     -4.01421628      0.06634016      6.50726795
  O      2.11544132     -1.46697776      2.21053505
  H      3.90926705     -0.22111777      7.22883392
  H     -4.79690071     -0.00623614      5.18192600
  O      3.53632552      0.99080736      1.87325609
  H      3.27796506      1.18354670      7.14869718
  H      0.32825171      4.03191346      4.95572571
  O      4.86305628      0.90868065      4.23721439
  H     -0.81467795     -2.90533514      5.04619436
  H      1.18883913      5.29656013      4.75683353
  O      4.70415286     -1.39073948      5.95961480
  H     -0.32851695     -4.34027927      5.32538563
  H     -2.96971533      1.92052857      2.50204077
  O     -2.42871365     -0.66746886      7.07505792
  H     -2.98445800     -1.58974871      4.07897205
  H     -4.05738411      2.29366582      3.51779922
  O     -4.52548184     -0.80646564      3.41586503
  H     -2.24358751     -1.37294222      5.41511611
  H      0.64516350      0.12844079      4.15321101
  O     -4.05842261      3.05472341      5.31557147
  H      1.18785973     -1.19158869      2.22847110
  H      1.65907885     -0.59429742      5.05340926
  O     -1.24853013      3.19336907      5.31647536
  H      2.61926939     -0.66669381      2.01651317
  H      2.43627095      3.09452161      5.46120182
  O     -4.70315688      0.50893696      5.99164370
  H      4.15049583      1.13842451      1.15791730
  H      2.30005851      1.56448297      5.34697190
  O      1.22216035      4.34302698      4.73946765
  H      4.06465330      0.94958882      2.68949801
  H      1.93473856     -0.00102532      8.57255734
  O     -3.88974824      1.74436448      2.74293561
  H      4.94721072      0.11374143      4.77576290
  H      1.19385454     -0.05036826      9.92822311
  O      1.15597656      0.22426414      4.96658160
  H      4.31515672      1.51745984      4.75295909
  H      2.37996000     -2.09379728      3.83689394
  O      2.89017866      2.26869433      5.65984565
  H      5.34019501     -2.08860826      6.09361832
  H      1.61159538     -2.76573049      5.02134192
  O      1.07331312     -0.17836279      8.99076493
  H      3.91956446     -1.79958213      5.55479080
  H     -0.28347023      2.48640621      2.31759597
  O      2.41374574     -2.28291396      4.79000235
  H     -1.81710900      0.08144155      7.04708665
  H     -1.20236445      2.51966180      3.56152889
  O     -1.15207611      2.21049206      2.64753012
  H     -1.95950160     -1.35945892      7.56187980
  H      0.14109925      0.82216490      6.27777267
  O     -0.37701618      1.19519154      7.00905309
  H     -5.21957182     -1.13577969      2.85138481
  H      0.05333313      0.88167115      7.81365279
          69
 Energy    -248.99835476467555     
  O     13.50272760     12.98873584    -14.01990507
  H     14.09306445     13.45932350    -14.61939581
  H     14.18849169      8.00494839    -14.66289956
  O     17.58239510      6.88848585    -14.03145299
  H     13.11774484     12.27878371    -14.54948918
  H     16.96555545     10.52224805    -14.78612031
  O     19.56071823     11.05544860    -12.07086762
  H     17.47068373      7.11976510    -14.95870411
  H     18.27623070     10.89747594    -15.50101418
  O     17.68931674     13.95693696    -14.65219392
  H     16.84798714      6.29963217    -13.81403712
  H     15.79928230      8.65209133    -18.09785551
  O     15.21689218      5.41683927    -13.39216726
  H     19.15163796     10.17807533    -12.09241963
  H     15.52161945      8.82996382    -19.60640387
  O     15.75178339     11.04129402     -9.78620462
  H     19.61899903     11.35871231    -12.98382829
  H     16.44296324     11.59514232    -12.83272005
  O     14.28911411      7.29131987    -11.68436302
  H     17.35162738     13.86999484    -13.74839311
  H     16.87421476     10.09220676    -12.72449090
  O     14.06271571     12.83375030    -11.36257057
  H     16.90945279     14.05205481    -15.20999004
  H     13.81173411     11.09282882    -16.17112505
  O     12.78314544      8.53773372    -17.29711820
  H     14.86512335      6.02624375    -12.71689099
  H     12.68022719     10.06882714    -16.27141145
  O     16.20461066      8.37997349     -9.90128371
  H     14.99153862      4.53377184    -13.11457770
  H     17.44183517      8.52279273    -11.31061481
  O     16.65793576      7.98212329    -16.64063311
  H     15.12982003     11.55231449    -10.31645771
  H     17.88326131      8.09372886    -12.75266287
  O     14.32540372      7.28205821    -15.29273619
  H     16.59541692     11.51063245     -9.81693318
  H     15.76239712     13.36832586    -11.82471669
  O     17.43182985     10.45205562    -15.63335836
  H     14.00784303      8.04565916    -12.21977116
  H     17.25336928     13.18299764    -11.41302114
  O     15.25068854      9.13010059    -18.74250755
  H     14.89756445      7.64031738    -11.02185257
  H     18.94956159     12.77619088    -14.77309579
  O     16.28478564     10.71111816    -13.17997555
  H     13.35796588     13.27574884    -10.89576750
  H     20.38473421     12.37402415    -15.19363289
  O     12.98819955     10.82019121    -15.74502193
  H     13.80814964     12.83251967    -12.30279383
  H     18.79673571     11.90313635    -10.77957149
  O     17.95136888      8.79221572    -12.08419167
  H     13.48078019      8.71241096    -17.93923510
  H     18.87818387     12.73463980     -9.47538471
  O     16.66958026     13.38176210    -12.15665920
  H     13.18701399      7.94383545    -16.64869565
  H     15.26748912     10.80824706    -17.84995299
  O     19.58542516     12.03717466    -14.79777484
  H     16.35266130      8.06017855     -9.01523360
  H     16.14869559     11.18308205    -16.64133270
  O     18.26654117     12.37947028    -10.11399833
  H     15.98851309      9.32685586     -9.82530916
  H     15.26965463     13.16228029    -16.59066105
  O     15.38438194     11.47393834    -17.16191242
  H     16.99207969      8.81447574    -16.27336514
  H     14.91308770     14.65772622    -16.73659314
  O     15.23014960     14.00788988    -16.11352357
  H     15.84726675      7.74957318    -16.16124039
  H     14.71103370      9.88265802    -13.33958436
  O     13.89661879      9.39111844    -13.52111842
  H     14.53528287      6.50285453    -14.76489735
  H     13.43695407      9.88944774    -14.20864361
          69
 Energy    -248.99732550410192     
  O      0.51566382     -2.57363448      1.70730674
  H      0.31790344     -1.62457688      1.65173666
  H      3.61466917      0.89377586      1.94920556
  O      3.11830874      2.43469723      1.38691003
  H      0.57834274     -2.76061848      2.65240792
  H     -1.98981834     -4.38375419      0.73938352
  O     -0.71409401      0.72569299     -3.71921069
  H      2.41930425      2.25730658      0.74176039
  H     -1.00391621     -3.25310782      1.12351921
  O      2.62648888     -1.60267177      0.10417963
  H      2.78433907      3.14529799      1.94745245
  H     -1.81750573      3.70643158     -3.77671338
  O     -1.33303056      3.18324433     -0.31340482
  H     -1.43569898      0.08661676     -3.75328125
  H     -1.42246197      2.28087349     -3.32474038
  O     -1.71792961     -1.27398365     -0.89556425
  H     -0.02514574      0.31452864     -3.18008317
  H     -3.92018928      1.24877661     -1.38740895
  O     -2.38193132     -2.09183102      3.44780749
  H      2.01075486     -2.14262305      0.61620354
  H     -3.48442103      2.03494305     -2.63514642
  O      0.91378867      1.65328710     -0.11035022
  H      3.07856120     -1.05444657      0.75561583
  H     -2.47402517      3.09628619      4.90054266
  O     -2.60823478      0.59265416      2.94427503
  H     -1.54586263      3.30786291     -1.24592198
  H     -2.15019645      2.00593963      3.85484054
  O      0.32059338     -2.49124445      4.50366391
  H     -0.48187878      2.71692989     -0.28498006
  H     -0.87404246      0.32507934      2.32695633
  O      1.87373594      4.38454850      3.00869564
  H     -1.91516130     -2.06181774     -0.37501544
  H      0.60791633      0.16320980      2.77571899
  O      3.80461172     -0.01095425      2.25956685
  H     -2.20243076     -1.32756040     -1.73125313
  H      1.56497584     -0.96234107     -1.24349078
  O     -1.92957366     -3.44334130      0.88832266
  H     -1.52730835     -2.24806836      3.86829617
  H      0.02133269     -0.86613704     -1.42538717
  O     -1.92386236      3.07619375     -3.06924908
  H     -2.37442797     -2.59608146      2.62616559
  H     -3.61063322     -1.40248558     -3.96301637
  O     -4.07987918      1.33551866     -2.33655663
  H      0.61312567      1.16129862      0.67013430
  H     -3.51139442     -0.16409177     -3.03818962
  O     -1.80416641      2.80561126      4.28673951
  H      0.99035373      0.99792065     -0.81478833
  H     -1.00384618      4.06287511      1.30407725
  O      0.02058483      0.15527384      2.00874935
  H     -2.91060808      0.71336208      2.03236023
  H     -1.17688023      3.88394263      2.83717498
  O      0.86793367     -0.55709809     -1.77953335
  H     -2.66553725     -0.34659889      3.17247974
  H     -2.46683585      0.22533130     -0.11566301
  O     -3.04037166     -0.96260390     -3.33902727
  H      0.55346054     -2.94839117      5.30740974
  H     -2.40882356      1.76914177      0.10214862
  O     -0.69632268      4.37957607      2.16287089
  H      0.84231828     -1.66946729      4.49004530
  H      2.53908849     -0.15604867      3.60924576
  O     -2.95064256      0.97990140      0.24986725
  H      2.14253788      5.27804805      3.20420199
  H      1.56701408      0.70356836      4.50149997
  O      1.76166753     -0.19244004      4.18215726
  H      0.96965876      4.43734565      2.64869467
  H      0.02843543      2.47695777      4.70711915
  O      0.98016901      2.32922122      4.76948121
  H      4.75226075     -0.07600409      2.34599997
  H      1.38644209      3.03428245      4.25023206
          69
 Energy    -248.99720522258082     
  O     -1.92914110      3.05599687     -3.61181270
  H     -1.93495164      3.55009914     -4.42740543
  H     -4.70512211     -0.29914156      2.10819845
  O     -5.09168146      3.14281840     -0.06630184
  H     -2.39144334      3.60386058     -2.95064093
  H     -0.79750548      0.30817241      2.11450460
  O     -3.44783606     -1.18792775      1.09372210
  H     -5.91944277      2.67126960      0.08178118
  H      0.32856105      1.27219398      2.51201420
  O     -0.35849507     -0.84405552     -1.51593842
  H     -4.41197634      2.45046477     -0.07007263
  H     -1.13102380      3.70896016      0.47758760
  O     -3.58060114      0.85703876     -2.95097458
  H     -3.38626385     -0.33966706      0.62343658
  H     -0.75738925      2.32970317      1.13751546
  O     -4.37874004     -2.27660053     -1.32704671
  H     -2.53643833     -1.43910839      1.28602927
  H      2.61206515     -2.49177557      2.07174057
  O     -2.47261515     -1.73334562     -3.12454298
  H     -1.04343376     -1.20691135     -2.09093921
  H      2.25139992     -1.69812014      0.79189248
  O      0.11754215      1.89514268     -2.02943584
  H     -0.24759373      0.08694526     -1.74940938
  H      2.26213008      1.33993335      1.07374215
  O     -0.67678177     -1.30922295      1.23017579
  H     -3.17380325      0.00678680     -3.16558186
  H      2.16117749      0.13057362      2.01622136
  O      2.35381823     -1.28519648     -0.90722380
  H     -3.03531766      1.55594834     -3.33117753
  H     -2.98058538      1.97951509      4.57853176
  O     -6.98820163      1.19822936      0.53889035
  H     -4.09842302     -2.07426643     -0.42546585
  H     -2.19441205      1.70195740      3.28357304
  O     -5.22640843      0.42637133      2.48118039
  H     -5.09338256     -1.65298508     -1.52555216
  H     -6.40001604      0.33117263     -1.09804316
  O     -0.63508994      1.16987379      2.52438975
  H     -2.47686693     -2.37912953     -3.82531221
  H     -5.40609080      0.36944872     -2.28794249
  O     -0.88134939      2.79395718      0.29937439
  H     -3.15304787     -2.00988120     -2.48117035
  H     -2.35394256      1.77265801     -0.11999935
  O      2.07008016     -1.77872416      1.74587123
  H     -0.18913258      2.25365651     -1.17922403
  H     -3.24091055      1.06147040     -1.19882120
  O      2.05039092      1.08978337      1.98049899
  H     -0.46263562      2.27488218     -2.69866105
  H     -2.56006108      5.08122697      1.24743579
  O     -3.05128371      2.00198948      3.62628501
  H      0.19816680     -1.59485467      1.51822032
  H     -1.56346205      6.23362431      0.96166863
  O     -6.09272222     -0.16196092     -1.86783415
  H     -0.61312667     -1.14966113      0.27668726
  H     -4.00309477      4.10728776     -1.28178774
  O     -3.12574409      1.20825546     -0.24908631
  H      2.62077564     -0.35821057     -0.94940502
  H     -2.73266510      4.92741623     -1.01180526
  O     -1.84868354      5.37981155      0.65007095
  H      1.44341697     -1.29860087     -1.23415163
  H     -4.38976962      3.96051822      1.44485704
  O     -3.22813750      4.49049225     -1.71416832
  H     -7.88283917      1.05717000      0.83654575
  H     -3.57597602      3.55611830      2.69728105
  O     -3.80471253      4.30534780      2.13408370
  H     -6.40452656      0.91265014      1.26436621
  H      1.79921557      1.72402214     -1.36164244
  O      2.61665058      1.55970910     -0.86462373
  H     -4.58073040      1.00314419      2.90317625
  H      3.26932252      2.16544867     -1.20820445
          69
 Energy    -248.99711075879824     
  O     14.98010155     11.78927062    -12.79613635
  H     15.73740209     11.19711279    -12.71299313
  H     11.26166206      6.21459971     -9.11111582
  O     18.43809731      9.05947357     -8.84833557
  H     14.90074516     12.23894891    -11.94525348
  H     12.43579835      7.29579331    -12.31378148
  O     15.65981720      5.66662342    -11.69903932
  H     18.87742685      9.01237987     -9.70603677
  H     12.27232952      7.15667244    -13.83027822
  O     12.64742714      5.22528952     -9.50827716
  H     17.68123869      9.64943184     -8.96737004
  H     12.01560353     11.49168784     -8.74213146
  O     18.38162350      6.08709675    -11.00531105
  H     15.49795012      5.93265234    -10.78108837
  H     11.62714239     11.76822395    -10.18367342
  O     17.87360803      6.48835966     -8.21100104
  H     14.91755087      5.10336509    -11.94732352
  H     14.17684321      8.11071362    -14.54695232
  O     16.93884358      9.81936061    -12.10972062
  H     13.52449908      5.50994969     -9.21943558
  H     13.53695586      8.26653037    -15.94586700
  O     14.70395078     12.84339328    -10.14626621
  H     12.77436386      4.82267427    -10.37417649
  H     19.05584250      7.65062616    -11.41409428
  O     11.36809675      9.45249460     -8.57870104
  H     18.28126751      6.07725630    -10.04472439
  H     20.24796847      8.51360173    -11.89473202
  O     16.12088551     10.49534556     -9.51178824
  H     17.52784504      5.81192729    -11.36153753
  H     14.81890572      7.19786647     -8.87156902
  O     13.56007368      8.54673755    -11.55604857
  H     18.34950359      6.21718163     -7.43086910
  H     16.07958057      6.31522146     -8.63659236
  O     10.48911942      6.77542136     -8.92306558
  H     18.07811034      7.43035092     -8.35388767
  H      9.96492449      7.45368685    -10.62715780
  O     12.00564361      6.75490789    -12.99469325
  H     16.62756207     10.01542777    -11.21410810
  H     10.38294981      7.40121087    -12.10765223
  O     12.17476209     12.10961274     -9.46197035
  H     17.83879994      9.48258537    -12.01525231
  H     11.29863498     10.60606408    -12.05450769
  O     13.33744695      8.26869489    -15.01318153
  H     14.82552977     13.75906377     -9.90865598
  H     10.31300343      9.63325050    -11.37236663
  O     19.36891092      8.56588492    -11.52995378
  H     13.79366317     12.60895982     -9.89361748
  H     12.83151433      3.63119388    -12.67269897
  O     15.19642132      6.31889560     -9.02474055
  H     11.01632717      8.55317643     -8.55987730
  H     12.69548901      5.16916225    -12.56621106
  O      9.82833317      7.88135196    -11.48235757
  H     11.18125173      9.77884323     -9.47029945
  H     12.77274778      9.87149233    -14.02439917
  O     10.77879354     10.47358336    -11.24991920
  H     15.72933983     11.36635100     -9.64998063
  H     13.43586100     11.03943031    -13.23116509
  O     13.17486656      4.39727097    -12.22005610
  H     15.40600534      9.91966149     -9.20359560
  H     13.87840511      8.69029735     -9.87243939
  O     12.62511317     10.51281768    -13.32094075
  H     13.16145111      9.31439614    -11.98734767
  H     13.16651268      9.04818048     -8.56645347
  O     14.02998725      8.80136962     -8.91816331
  H     14.30641630      8.28713400    -12.11075203
  H     16.10562731      8.53314190    -13.04283654
  O     15.54148473      7.83871688    -13.41399101
  H      9.90807786      6.26111269     -8.36828454
  H     15.68827167      7.03000180    -12.90284510
          69
 Energy    -248.99702420299735     
  O     -4.24792983      0.36564587      3.71174724
  H     -3.96631363      1.28939908      3.66867185
  H     -2.88565519      1.25570058     -1.47678735
  O      0.20733298      3.36304720      2.07322679
  H     -3.46086038     -0.19019841      3.63002709
  H     -5.13082489      4.65138024      0.87587866
  O     -2.09404850     -1.24405649      3.14110237
  H     -0.62880165      3.51977056      1.60204533
  H     -4.96443942      4.10481166     -0.56317367
  O     -4.35987079     -1.47688407     -2.24547766
  H      0.77277090      4.10635352      1.87901724
  H      0.69731717      1.52263477      1.98646755
  O     -2.49496401     -2.91412491     -0.62211657
  H     -1.75571230     -1.04881037      2.25512522
  H      0.30771916      0.11202414      1.46727339
  O     -4.78644901      0.68927901      1.00216423
  H     -1.40178279     -0.97539742      3.75796290
  H     -6.13256588      4.86929343      3.24153791
  O     -7.87180548      1.17382239     -0.97858762
  H     -3.68877524     -1.97160302     -1.75934752
  H     -5.05669869      3.79608789      2.97259877
  O     -3.45343433      3.03232187      3.32016723
  H     -5.14691307     -1.47452071     -1.68542465
  H     -2.96020635      4.12718847      0.54566110
  O     -3.83338417      1.05086826     -3.05433694
  H     -3.01262812     -3.00339511      0.19923945
  H     -2.24980541      2.77718764      0.30312478
  O     -6.39924003     -1.09921293     -0.33862494
  H     -2.17392838     -3.78575093     -0.83883667
  H     -7.19265721      0.42253995      2.88133419
  O     -6.66380595     -2.62910092      2.00534013
  H     -4.52323612      0.42573306      1.89300257
  H     -6.02458234     -0.12997652      3.71076368
  O     -2.61496161      1.26134570     -0.55165356
  H     -5.57705120      1.23004352      1.12804395
  H     -0.75147331      1.71011253      4.71019335
  O     -4.57427945      4.70343771      0.09187930
  H     -7.45109116      0.31268101     -0.81977528
  H     -0.52400989      2.93014919      3.80396750
  O      0.86214236      0.57883965      2.10667479
  H     -8.65982564      1.00437202     -1.48879271
  H      0.41149319      0.12852667      3.72750222
  O     -5.87989114      4.18239390      2.62912118
  H     -3.08170064      3.17597877      2.43883815
  H      0.71116349     -0.40127448      5.15194363
  O     -2.21620671      3.58113880      0.84087835
  H     -2.69104516      2.95563372      3.91325245
  H     -6.91287422      2.78453424      1.93600065
  O     -6.92175701     -0.33791875      3.41190182
  H     -3.57213698      1.07368987     -3.97069826
  H     -7.60120716      1.91568020      0.80947926
  O     -1.04940294      2.61312420      4.55030660
  H     -4.03312227      0.12166228     -2.83956670
  H     -3.33579820     -2.50945607      2.38314008
  O      0.00957422     -0.08236052      4.59078952
  H     -6.62676772     -1.74938736      0.33664048
  H     -4.76883913     -2.88575785      1.89670245
  O     -7.22292678      1.90160921      1.69596132
  H     -5.73597537     -0.52700490      0.07986392
  H     -1.56707445      0.00202128      0.13859219
  O     -3.82928050     -3.01163199      1.72267679
  H     -6.80335670     -1.83142788      2.54763016
  H     -1.41686354     -1.53055798      0.09904006
  O     -1.10394194     -0.74014644      0.55460861
  H     -7.22340368     -3.30959466      2.36929142
  H     -6.43671265      2.31821697     -1.54141889
  O     -5.64014399      2.83881277     -1.69249859
  H     -3.41458389      1.08399786     -0.02962259
  H     -5.05394903      2.27807148     -2.21441711
          69
 Energy    -248.99690030552449     
  O     16.21993516     11.54616871    -16.75329514
  H     16.27880716     12.50841803    -16.64717637
  H     17.79090022     13.14099194    -10.36814697
  O     17.47472806     16.89521895    -16.49979356
  H     16.37057351     11.37143214    -17.67977355
  H     20.83909943     18.51960530    -12.33828133
  O     21.18423288     11.78358361    -15.96167117
  H     17.80323765     17.13788769    -15.61688382
  H     19.80597780     18.30041247    -11.21970687
  O     18.62556221     14.91415318    -10.32923207
  H     16.98294103     17.64580462    -16.82372500
  H     21.11325607     13.72351195    -12.22654027
  O     14.92075862     14.24931835    -13.77668619
  H     20.52985410     12.25624284    -16.50690145
  H     20.75261134     12.74327693    -11.09279011
  O     20.06198287     11.00443505    -11.11659566
  H     21.82657116     11.41593985    -16.56286878
  H     16.91334840     10.97299287    -15.17830542
  O     15.49098206     11.79150437    -12.37410323
  H     19.42689841     14.50266861    -10.68730440
  H     16.60935878     11.05860425    -13.65289435
  O     19.40593457     13.26000114    -17.37668969
  H     18.05294861     15.14515826    -11.07696166
  H     19.20352775     16.33962607    -17.23157023
  O     21.03839831     16.41024789    -14.74777989
  H     15.04104202     13.38459321    -13.36125697
  H     20.56734560     16.14699257    -16.55663686
  O     19.75934139     17.29638593     -9.58030777
  H     15.32664476     14.18930589    -14.64765303
  H     23.40285758     18.15556886    -12.74889743
  O     21.19550988     13.77032524    -13.99710917
  H     20.07171777     10.76177976    -12.05964898
  H     22.49304555     17.13016380    -12.03012776
  O     17.53029624     12.25498377    -10.64379511
  H     20.39327199     10.24973700    -10.63684612
  H     18.90178384     17.92274410    -13.35820760
  O     19.91702965     18.67744185    -12.10140703
  H     16.18690876     11.98073423    -11.71914816
  H     17.96575212     16.68594130    -13.47051768
  O     20.95329854     13.66966977    -11.27223285
  H     14.79164879     11.34075402    -11.90740794
  H     21.87193467     15.22994552    -10.77840106
  O     17.30237357     10.86860243    -14.29847140
  H     18.49305611     13.36222896    -17.09886315
  H     21.43858629     16.57026954    -10.15242119
  O     20.06956576     15.93371473    -17.35702176
  H     19.73740996     14.16706007    -17.47102582
  H     19.02245096     10.35916774    -13.98381321
  O     22.55277304     17.72715948    -12.79776002
  H     20.14860877     16.68768289    -14.48759046
  H     20.41805421     10.76933126    -14.50557065
  O     18.47825693     17.32201616    -13.98901051
  H     21.65250771     16.88773530    -14.17550244
  H     19.39200140     13.48391545    -14.03278156
  O     22.15646835     16.14226530    -10.63571401
  H     19.48922805     17.58561618     -8.71255726
  H     18.17053389     12.50252183    -14.04067711
  O     19.96274785     10.37602888    -13.75287471
  H     19.28151052     16.46911837     -9.76034868
  H     17.40334335     13.97321092    -15.39065385
  O     18.42927056     13.43247697    -14.03600586
  H     21.22051600     14.67011342    -14.35329735
  H     16.93908414     15.10654009    -16.34558414
  O     16.80303816     14.17698933    -16.12599254
  H     21.37786068     13.14146733    -14.70561865
  H     17.66966994     14.63944016    -13.01422544
  O     17.15115896     15.34675820    -12.59677408
  H     18.35202923     11.76570284    -10.77482256
  H     16.23886935     15.16539377    -12.85660715
          69
 Energy    -248.99658989487330     
  O     15.12228569     10.30184627    -16.00511467
  H     15.63125160      9.59028526    -15.58711478
  H     18.84455095      6.57079318    -11.96651502
  O     16.08326633      4.98384851    -12.87744211
  H     14.44780032     10.56681744    -15.37002368
  H     18.43441481     10.57245569    -17.41776696
  O     19.33847091      8.48875849    -15.47607250
  H     15.97612591      5.12124961    -13.83039071
  H     19.46948192     10.28866802    -18.53363293
  O     13.24833790      6.59422512    -16.44968593
  H     17.00516235      5.17842037    -12.67578395
  H     17.54467856      8.32739844    -15.07780009
  O     19.05614026     10.28394835     -9.56453759
  H     19.64765141      9.06764282    -14.76836893
  H     16.30961925      7.37572895    -15.09709648
  O     16.08425743      8.48397107    -12.15473847
  H     19.32721150      8.98924878    -16.30287284
  H     13.10315235      9.77603500    -13.92682124
  O     17.96480988     11.98092432    -13.76075057
  H     12.52449591      6.19576188    -16.92427921
  H     12.38365807     11.14470832    -13.98701067
  O     19.40128621      5.75286857    -15.16594544
  H     13.65138761      7.25222037    -17.04776983
  H     18.84920136      8.87523191    -10.62769919
  O     14.11419778      6.51570882    -11.87301598
  H     19.18099001     10.52821276     -8.65151433
  H     17.73373652      8.33632099    -11.57283193
  O     17.82741666      5.23310647    -17.29830123
  H     18.57390542     11.02129751     -9.97559424
  H     13.01224809      7.54076025    -14.81293680
  O     15.71808992      5.69328139    -15.52957290
  H     15.38305840      7.86268363    -11.92840655
  H     13.28086301      7.47409861    -13.28838924
  O     18.83260519      5.67524476    -12.34025564
  H     16.24610367      8.39670918    -13.10830830
  H     20.70373357     10.28629688    -12.76385131
  O     18.96752884      9.87240873    -17.83867899
  H     17.11877610     11.69763764    -13.38548270
  H     19.50206475      9.34423467    -12.54459500
  O     16.61747555      8.24911010    -14.82097192
  H     18.60166762     11.28018310    -13.57256893
  H     16.79289384     11.96973581    -11.13633976
  O     13.24571337     10.74017539    -13.94112097
  H     19.22543472      5.63907673    -14.22587066
  H     18.07277499     12.53445572    -11.70641468
  O     18.67820676      8.26678343    -11.36189810
  H     19.50464298      6.70730713    -15.29832075
  H     17.45314794      6.92335739    -18.15618193
  O     12.95149041      8.04482217    -13.99264965
  H     14.78785417      5.89062416    -12.19868545
  H     17.77025214      8.42957665    -18.33664190
  O     19.90837581      9.95802856    -13.17738766
  H     13.66042924      6.08504640    -11.15411902
  H     14.73985035     11.19698313    -12.86155033
  O     17.67230622     12.27352122    -10.87074842
  H     18.43721292      5.34973438    -16.54717556
  H     15.74144266     10.24247701    -12.19512033
  O     17.12020272      7.74559346    -18.53354564
  H     18.14779258      4.48950466    -17.80148781
  H     17.71921879     11.92245797    -15.62002610
  O     15.57122937     11.17873641    -12.37470070
  H     16.33019917      5.45673490    -16.23812841
  H     16.58723072     11.31115503    -16.45868013
  O     17.48011221     11.67801275    -16.52322701
  H     14.85319831      5.88881347    -15.91268016
  H     14.61706421      9.18090649    -17.39860570
  O     14.49327689      8.40549352    -17.96149860
  H     19.35180804      5.13120433    -11.75164895
  H     15.37966929      8.15416344    -18.26029365
          69
 Energy    -248.99650449800396     
  O     17.66183914      7.84837704    -16.03278813
  H     18.25202897      8.01048807    -15.28850901
  H     17.94630555     10.60304407    -17.59596641
  O     14.84962039     10.27740453    -11.46636882
  H     16.85931514      7.47210907    -15.64946840
  H     14.39692059     10.38331348    -19.01852197
  O     17.43095089     15.39900428    -14.09668792
  H     14.41572671      9.78759812    -10.75749267
  H     15.63003526     10.36955965    -18.07813125
  O     15.25940934      7.23337923    -14.63143755
  H     14.17582050     10.44553244    -12.14280090
  H     18.31702294     13.99534357    -13.03918573
  O     13.49250123      8.53641761     -9.73198310
  H     16.53462986     15.35491425    -13.72903507
  H     18.81733202     12.53830595    -13.10773603
  O     14.96175507      6.56533445    -10.89811043
  H     17.70863869     16.30982712    -14.02217693
  H     13.66874422     14.00533592    -13.88726343
  O     16.18530965     11.48044679    -14.46732062
  H     14.53889644      6.75127050    -14.20872104
  H     13.65402470     13.25290222    -15.22053839
  O     12.91791913     10.71510046    -13.43485388
  H     14.87733198      8.04225340    -15.00740987
  H     18.24853701      8.45840540    -13.11361235
  O     16.61203078      8.31334459    -12.46309770
  H     13.32220056      8.39961011     -8.80443077
  H     19.72271740      7.99161604    -13.15243692
  O     18.96178078     11.21190962    -14.38100573
  H     14.01901978      7.77652304    -10.03927569
  H     12.52755084      5.44837319    -13.26172719
  O     14.39616162      9.66113794    -15.52129327
  H     14.39157002      6.24959358    -11.61115906
  H     12.68031189      6.92385573    -12.82193084
  O     17.25386946      9.96062312    -17.78240248
  H     15.68078099      7.04255755    -11.33151960
  H     15.22632874     14.24970098    -12.42281052
  O     14.68651904     10.61479525    -18.14127198
  H     15.98374383     11.93235348    -13.64031696
  H     14.51530842     15.60219496    -12.16859413
  O     18.52982896     13.22865164    -12.49354013
  H     17.14222987     11.35500503    -14.49130930
  H     16.63892253     13.78361500    -16.75056974
  O     13.19755731     13.31903744    -14.37129187
  H     12.88572904     11.65371376    -13.66726142
  H     17.57428474     14.53405004    -15.78691757
  O     19.08182602      8.52848758    -13.61130977
  H     13.29463560     10.26980357    -14.20726499
  H     16.87760449     12.82624031    -11.93114533
  O     13.17337905      6.13011152    -13.09723071
  H     16.15135214      7.93695345    -13.22885261
  H     15.63676092     11.90565730    -11.56244996
  O     14.93480923     15.07877329    -12.84699043
  H     16.08061040      9.05534431    -12.14579383
  H     15.45794724     12.46153021    -15.81739276
  O     17.55984560     14.04761385    -16.61935181
  H     19.18660053     11.36850654    -15.30731106
  H     14.80186084     12.24792439    -17.19918815
  O     15.90971740     12.76657626    -11.90369005
  H     19.12142137     10.28341254    -14.16987947
  H     12.11464817      9.22291312    -12.61851390
  O     15.00006908     12.92307461    -16.53842915
  H     15.08858032     10.22306890    -15.13751362
  H     12.31064939      8.48540863    -11.27678587
  O     11.95989491      8.38105279    -12.16966790
  H     14.34227323      9.89644866    -16.45498795
  H     18.64239483     12.72968993    -16.94317287
  O     19.20181869     11.94067276    -17.06378508
  H     17.42147729      9.19214614    -17.21690263
  H     19.91158349     12.19199111    -17.64852158
          69
 Energy    -248.99645220741780     
  O     17.06068868     10.04865423    -13.91576366
  H     17.61965214      9.33071526    -14.24002941
  H     14.73135177      3.53010728    -11.98072777
  O     15.21576117      4.29603974    -16.38792806
  H     17.14368494     10.06286378    -12.94892723
  H     14.06978997      4.88321101    -13.53155807
  O     12.45439401      8.49901581    -12.76325258
  H     15.46453852      3.68633143    -17.07712657
  H     15.03893358      4.23325966    -14.55930066
  O     12.91756800      5.85184684     -9.04027096
  H     15.72087726      5.11520188    -16.53852856
  H     13.89066648      9.21236833    -10.00151229
  O     12.80999910      5.87228002    -16.17208593
  H     12.00522311      8.86490085    -13.54079089
  H     13.05883485      8.36707709    -11.00456195
  O     15.21809667     10.92931112    -15.86441744
  H     13.39236663      8.42054829    -13.01246416
  H     15.59292410      8.98474530    -13.66326464
  O     16.44711458      6.69735385    -16.70445904
  H     13.06676215      6.76511726     -9.32046364
  H     15.52616029      7.46292853    -13.42432007
  O     14.63849882     10.93389964    -10.03076756
  H     13.79210337      5.48275327     -8.86731646
  H     17.88722894      7.08197743    -14.05818192
  O     15.56551423      4.72208394     -9.04524575
  H     13.50837990      5.22412018    -16.32486619
  H     19.25236989      7.39972319    -14.71522469
  O     14.08406773      8.29362694    -16.25861914
  H     12.52042729      5.74241736    -15.26027805
  H     12.41279879      9.25304788    -15.68645404
  O     11.78046653      4.31517800    -10.96364072
  H     15.93552935     10.73740451    -15.24482393
  H     12.05161526     10.61859162    -15.08576990
  O     14.46894513      3.29752533    -11.08027450
  H     14.90916704     10.08321137    -16.20898956
  H     13.87634706     11.84765454    -15.24882635
  O     14.90882631      4.40734155    -13.61852362
  H     15.72706156      7.33927681    -16.70927226
  H     12.93397122     13.07328361    -15.32267804
  O     13.57965088      8.31813773    -10.19229869
  H     17.13385658      7.05783176    -16.13156733
  H     12.10779650      5.19591958    -12.55940348
  O     14.98792805      8.23135973    -13.64444876
  H     14.12202880     11.18464522    -10.81857342
  H     12.33981121      6.62740288    -13.10231782
  O     18.32564521      7.62570798    -14.73639592
  H     14.53892551     11.63936979     -9.39736553
  H     12.75875904     10.43285594    -12.39015132
  O     11.77336848      9.69433074    -15.11534553
  H     15.99917348      4.14798159     -8.41995183
  H     13.13606940     11.75244345    -13.07881556
  O     13.06885277     12.24324533    -14.87411806
  H     15.24065676      4.15691108     -9.76943908
  H     16.66543963      6.49253232    -12.00607384
  O     12.43771552      5.69285248    -13.31999044
  H     14.39131731      8.26730967    -15.33860287
  H     16.24289504      5.50139365    -13.14288109
  O     13.12914078     11.30592465    -12.22320753
  H     13.56849641      7.48103351    -16.38251246
  H     16.88479191      8.85966056    -10.86463327
  O     16.83080872      6.23839700    -12.92542525
  H     12.10973252      4.88434129    -10.24472378
  H     16.25976172     10.25697635    -10.76252497
  O     16.97507037      9.76466904    -11.18492566
  H     10.97591176      3.91099522    -10.64994597
  H     15.24478963      7.50831335    -10.39518906
  O     16.12307554      7.10347181    -10.41497480
  H     13.52000575      3.46858737    -11.03802118
  H     16.06303285      6.31097241     -9.86611535
          69
 Energy    -248.99633519401993     
  O     14.39986112     11.38502961    -14.44271206
  H     14.57427534     12.24630277    -14.07085999
  H     15.94133810      4.16490469    -17.54397812
  O     13.38601794      5.40978716    -16.35844826
  H     15.25590762     11.04886909    -14.74803190
  H     19.60092481      5.55806402    -17.16077952
  O     18.04613690      6.10590116    -12.38700985
  H     13.95753100      5.12779784    -17.08089296
  H     19.88588143      5.36840784    -15.65695617
  O     19.36848939      6.98653386    -18.42368647
  H     13.06809830      6.29515924    -16.57398421
  H     18.06000786      7.70639396    -15.82465384
  O     16.72999623      6.82362510    -19.00032172
  H     17.47381579      6.86601145    -12.57041576
  H     19.14027400      8.02126608    -16.86877074
  O     14.15639363      6.23775610     -9.80943540
  H     18.84768941      6.23563759    -12.90651053
  H     16.01979306      7.11723700    -16.24139710
  O     13.96812280      4.99673900    -13.71930959
  H     18.43094674      6.91413827    -18.68024934
  H     16.69317638      5.76239831    -15.83148861
  O     16.27363673      8.04303245    -13.25609686
  H     19.86307302      7.11128931    -19.22881600
  H     12.99757564      8.60130454    -13.55536315
  O     17.04210825      3.96604461    -16.18992076
  H     16.24145412      6.00288343    -18.86288969
  H     13.24806048      9.95561543    -14.28218827
  O     13.43433380      3.83070263    -11.22642714
  H     16.22148391      7.51445526    -18.55352261
  H     15.81906836      1.72557544    -10.76124004
  O     16.69046259      9.99096302    -15.19189064
  H     15.07600759      5.92257273     -9.86689004
  H     14.93991172      2.95077083    -11.11483574
  O     15.33726265      4.44852238    -18.25278230
  H     14.01274112      6.50106321     -8.90450264
  H     12.59577625      8.47304845    -15.87227428
  O     19.59869929      4.90316681    -16.45068222
  H     14.87501946      4.66752107    -13.69866734
  H     11.81066883      8.41890999    -17.20578682
  O     18.83461512      8.26944279    -15.98705094
  H     13.71375797      5.09282548    -14.64862063
  H     19.79337880      7.34054899    -14.76052728
  O     16.58485009      6.68668917    -15.58647025
  H     16.30311015      7.48372382    -14.05084930
  H     21.06154706      6.96451482    -13.96134252
  O     12.73319091      9.13763526    -14.31295018
  H     15.39763969      7.92398495    -12.86613765
  H     17.13186887      4.67180035    -13.11916097
  O     15.85415816      2.61293263    -11.10664875
  H     16.89357777      3.77786301    -15.25291475
  H     16.41072877      3.35730562    -12.72102229
  O     12.60730098      8.11534608    -16.77993065
  H     17.98329378      4.16845710    -16.30776561
  H     16.50348358      4.25782721    -10.32722885
  O     20.18500753      6.66118654    -14.18691923
  H     13.50479751      4.61415521    -10.66746746
  H     17.25073385      5.52980751    -10.77360862
  O     16.60061271      3.94142005    -13.46565639
  H     13.42807657      4.16043505    -12.13660427
  H     15.66276160      9.15065266    -16.64692245
  O     16.65634308      5.18254135    -10.09620385
  H     16.52582336      9.43431285    -14.41359245
  H     14.35848280      8.46038530    -17.15930745
  O     15.31647747      8.50948649    -17.27880458
  H     17.54942539      9.70878618    -15.52518492
  H     13.80343233      7.12148165    -11.42282031
  O     13.75032349      7.38571535    -12.34882297
  H     15.14113695      3.67218798    -18.77171228
  H     13.76794793      6.56590542    -12.86753856
          69
 Ord_Energy   -248.996140    
 O    1.58549321      -2.65766788      -5.06534386    
 H    2.23289680      -2.38259125      -4.40251589    
 H    1.54016650      -3.62139297      -5.03340912    
 O   -3.32305813      -2.05165505      -3.28937173    
 H   -2.40437460      -1.90881073      -3.56624031    
 H   -3.35876489      -2.97207069      -3.00457191    
 O    2.88427401      -4.83028173      -2.47881961    
 H    2.34936833      -5.13394880      -3.22270012    
 H    3.22007132      -3.95832443      -2.72659397    
 O    1.34024763      -5.44449329      -4.78443336    
 H    1.56160104      -6.12756586      -5.41190386    
 H   0.373652041      -5.32739830      -4.82725906    
 O   -1.68561745      0.780506730      -5.30967617    
 H  -0.976788521       1.05414116      -5.90596676    
 H   -1.76674008       1.43494511      -4.60447931    
 O    1.76696610      -4.40618610      -5.98758794E-02
 H    2.17744684      -4.64198112     -0.911775827    
 H    2.12275004      -5.00218439      0.593364835    
 O   -3.60387087      -1.16990614      -5.93052483    
 H   -3.04485273     -0.387461841      -5.82640696    
 H   -3.76385665      -1.48931921      -5.03200245    
 O    3.08255458       1.02269375      -1.03035212    
 H    2.88746381      0.144294411     -0.678281724    
 H    3.68645120      0.881745696      -1.76979828    
 O   -2.79645467      -4.72126484      -2.57708788    
 H   -3.30415630      -5.41424179      -2.16365051    
 H   -2.10749149      -4.45950317      -1.93959475    
 O   -1.81580245       2.39077091      -3.02173662    
 H   -2.01451755       3.29627085      -2.79650021    
 H  -0.925696731       2.20574284      -2.67643738    
 O    2.11192656       1.20629013      -4.57205153    
 H    1.59966385       1.19893396      -5.38746262    
 H    1.49022770       1.30341613      -3.84033966    
 O  -0.675119162      -1.45783770      -3.94709325    
 H  -0.929631174     -0.698968112      -4.48853970    
 H    6.01487309E-02  -1.90911818      -4.37830830    
 O   0.536037147       1.10584211      -6.94931841    
 H   0.497624487      0.151333645      -7.14745092    
 H   0.729895890       1.55211306      -7.76870918    
 O   0.611313820       1.48077881      -2.14072704    
 H    1.47931111       1.52185941      -1.71266544    
 H   0.213870227      0.658249080      -1.82921863    
 O    4.45713425      0.425995857      -3.50190520    
 H    3.65536189      0.732061207      -3.96582031    
 H    5.20000172      0.851908088      -3.91968632    
 O    3.35355020      -2.08845735      -3.00111556    
 H    2.91233253      -1.90542114      -2.15974045    
 H    3.87192869      -1.30216682      -3.21177649    
 O    2.10262251      -1.62819016     -0.527146339    
 H    1.18399596      -1.37313342     -0.693409562    
 H    2.07147741      -2.53787756     -0.206244767    
 O  -0.900545120      -3.82584071     -0.862549961    
 H   -3.47085781E-02  -4.12422705     -0.559721887    
 H  -0.850652158      -2.86365962     -0.888115585    
 O   -2.96522427      0.132417291      -1.50069046    
 H   -2.78335452      0.911865234      -2.03700233    
 H   -3.28133368     -0.555440307      -2.10377955    
 O   0.374210656      -1.55549932      -7.29112196    
 H  -0.443311989      -2.06715274      -7.28871441    
 H   0.931612968      -1.94809675      -6.60376501    
 O   -2.04101157      -3.08570528      -7.05212069    
 H   -2.63673162      -2.40830517      -6.68710899    
 H   -2.48335886      -3.45253158      -7.81398726    
 O  -0.502499878      -1.00156868      -1.28881443    
 H  -0.471669286      -1.22945511      -2.23359871    
 H   -1.37372243     -0.606424332      -1.13454056    
 O   -1.28615880      -4.93715239      -4.99135017    
 H   -1.85637581      -4.85749722      -4.21758890    
 H   -1.58742166      -4.29616308      -5.64627743    
          69
 Energy    -248.99591429405649     
  O     -0.59965174     -1.56092544     -1.30199222
  H     -0.25556250     -0.81730891     -1.81954988
  H     -2.45275459      6.76276486      1.25457976
  O      0.31914319      0.72205885     -2.56235300
  H      0.16115320     -2.01494167     -0.92575264
  H     -2.84259583      1.88175632      3.82990345
  O      4.30277408      3.03784515      2.17837810
  H      1.22112011      1.05970404     -2.53408702
  H     -1.36810707      1.78899554      3.36703190
  O      0.48209053      0.78834735      1.06510942
  H     -0.21195142      1.37563382     -2.08528190
  H      4.18662405     -0.04589600      2.72728871
  O     -2.91280523     -1.22310220     -0.00787508
  H      4.50170499      2.08973743      2.07272239
  H      4.10050201      0.11769467      1.19887907
  O     -3.17788855      1.48717782      0.72458605
  H      5.13650817      3.47862764      2.32273946
  H      3.19107223      2.56432779      3.65587997
  O      1.78731743     -2.65797337     -0.09928981
  H      0.00551261      1.21541116      0.34011698
  H      2.70212487      1.24508735      4.29562398
  O     -1.28406433     -1.08318918      2.29583499
  H     -0.06134794      0.06005855      1.39115757
  H     -3.89824356      3.18459980      1.15162519
  O      2.96026078      1.78102533     -2.10624532
  H     -2.10281507     -1.35368692     -0.53661033
  H     -4.15329665      3.81386502      2.53424169
  O      2.71136036      3.60509551     -0.12724226
  H     -3.54974627     -1.86001448     -0.31920400
  H     -0.55552601      5.04971690      0.96484421
  O      1.26177649     -2.15546308      2.67405551
  H     -2.84855183      1.42391697      1.63234359
  H      0.23757459      3.89994091      1.62713749
  O     -2.09529424      5.91856233      1.51590971
  H     -3.22160193      0.58193723      0.39094318
  H      0.37241497      2.01936135      2.33629201
  O     -2.20869630      1.31086264      3.37864493
  H      2.24970911     -1.80460089     -0.16860277
  H      1.02011159      2.59211257      3.61575769
  O      4.63053270      0.35891702      1.97129210
  H      2.35103443     -3.31002237     -0.50817973
  H     -2.99785978      3.92905928      4.38882475
  O      2.56880031      2.20200690      4.29993323
  H     -1.89674042     -1.26164341      1.57117078
  H     -4.27599538      3.59496736      5.19838023
  O     -4.04694358      4.02767073      1.59894856
  H     -1.67389950     -0.37585750      2.82746111
  H     -0.79604715      4.12290208      3.82891905
  O      0.15915986      4.41801362      0.81445834
  H      2.86541634      2.48215415     -1.43558178
  H     -1.62423543      5.29456291      3.26650731
  O      0.24384241      2.67333857      3.04116472
  H      3.56928767      2.10903601     -2.76181823
  H      2.04659668      0.21370629      0.36327841
  O     -3.80447101      3.38203874      4.39788567
  H      1.87964756      4.01195860      0.14298436
  H      2.97261959      0.43421394     -0.85997890
  O     -1.48447061      4.75855418      4.05807221
  H      3.22911765      3.46476542      0.67537727
  H     -0.62715588      3.16328577     -0.31711186
  O      2.82551231     -0.13716514     -0.09609809
  H      1.45860619     -2.45322577      1.77814713
  H     -1.81653997      2.15324124     -0.30720044
  O     -0.97871503      2.36873300     -0.73860883
  H      0.32903145     -1.90172332      2.66599522
  H      3.28144248     -1.14957672      4.84098126
  O      3.01150286     -0.62452500      4.09148013
  H     -2.82492099      5.27496489      1.46708015
  H      2.37375486     -1.16591067      3.59464126
          69
 Energy    -248.99571273000365     
  O     16.04499488     11.59999975     -9.53130207
  H     16.19367078     12.03566441     -8.69599545
  H     14.20177491      7.90429925    -13.93747928
  O     12.57363223      6.03628373    -11.70003967
  H     16.61065204     10.80520481     -9.53922021
  H     15.10030685      5.38940158    -16.30289235
  O     17.53713736      9.88109561    -12.50061664
  H     13.11321576      6.45239503    -11.01211275
  H     14.30632373      6.16082368    -15.20588393
  O     17.56517034      8.90256626    -15.04578741
  H     13.13789080      5.37254972    -12.11246345
  H     17.96803969      5.88566697    -15.37408279
  O     16.35589912     12.43086229    -12.17651168
  H     17.70488475      9.60710602    -13.41310529
  H     16.51083672      5.87574508    -14.86347880
  O     14.32591479      7.38620760    -10.03410012
  H     17.22119233     10.79302200    -12.52124019
  H     14.92787208      8.00721086    -11.68147487
  O     15.03382535      9.66444084    -16.02616551
  H     17.49902663      7.95621214    -14.84947456
  H     15.94013437      8.90387208    -12.47081864
  O     14.43660480     11.61977310    -14.18031332
  H     16.69882044      9.19227477    -15.36373005
  H     13.22061367     10.20109087    -10.47858300
  O     15.91821054      5.79334658    -17.84255949
  H     16.18057921     12.21573695    -11.24631951
  H     14.39624482     10.61364012     -9.57027759
  O     11.27711821      7.89962989    -13.16412741
  H     16.78402280     13.28425397    -12.18283333
  H     14.29220592      3.26521192    -12.97153469
  O     16.82329392      5.45451122    -11.93381514
  H     14.09263839      8.28033525     -9.74029447
  H     14.53332989      4.51833591    -13.84081640
  O     13.62221878      7.70746014    -14.69277117
  H     15.18386839      7.14791010     -9.66537915
  H     13.68525480      9.64089776    -12.39827806
  O     14.81000451      5.35129286    -15.38014081
  H     14.85333804     10.45008418    -15.48955060
  H     12.16662269      9.51636918    -12.59982926
  O     17.40994899      6.14707164    -14.63050096
  H     14.46316678      8.96507908    -15.67643379
  H     16.99109633      6.21431031    -10.38339196
  O     15.08570954      8.46125039    -12.51925825
  H     13.73466779     11.25028475    -13.62788174
  H     17.39095565      6.03373622     -8.90061738
  O     13.64036232     10.01834787     -9.62729590
  H     15.07787510     11.98309509    -13.55953653
  H     18.76320512      6.65156393    -17.34523682
  O     14.42367165      4.20934613    -12.92541552
  H     15.82936509      6.71565237    -18.11252331
  H     19.48107262      5.28592782    -17.46796968
  O     12.85642125     10.14346483    -12.35177105
  H     16.86264614      5.64959708    -17.70493273
  H     17.74760185      9.49657103    -10.73254658
  O     16.99390111      6.64912730     -9.51103956
  H     11.67994634      7.20803221    -12.60610438
  H     17.44424078      8.47225707     -9.61712633
  O     18.70796427      5.70908302    -17.10527504
  H     10.34492153      7.70812196    -13.20999714
  H     15.39397946      9.05263528    -19.18024612
  O     17.59282971      9.41060929     -9.78011474
  H     17.19117925      5.73359221    -12.78122759
  H     15.51281744      9.06192740    -17.64145243
  O     15.82827271      8.62148870    -18.44830738
  H     16.00616852      4.98941184    -12.14974576
  H     17.71990602      8.51403607    -18.07823824
  O     18.56025466      8.37339184    -17.62403908
  H     12.72025929      7.76785103    -14.35757811
  H     18.41020978      8.69571258    -16.72430074
          69
 Energy    -248.99544998147573     
  O      9.90672914     12.71340024    -10.93749227
  H     10.02435465     12.67984978    -11.89458767
  H     13.41785977     13.41520063    -12.65340840
  O     12.30871112      7.60803432    -15.64056608
  H     10.59470840     13.29988088    -10.59066731
  H     16.13042732      8.85979250    -10.59322835
  O     10.58842423      9.38732861    -12.56697980
  H     11.37106197      7.83001540    -15.57644707
  H     16.95001618      9.60164699     -9.52717352
  O     13.14086690      8.41540421    -13.14315558
  H     12.72740177      8.36321782    -16.07376678
  H     14.16601637      9.34635789    -10.62261971
  O     13.05884408     13.03031073     -7.54631596
  H     11.49438098      9.04965996    -12.61895015
  H     13.93857112      8.10925494    -11.49533685
  O     13.53156714     10.06993966    -16.49550144
  H     10.35172986      9.51870699    -11.64191572
  H     14.91796582     14.47757227    -11.62675492
  O     14.06400727      8.75508931     -7.90795287
  H     12.89240501      7.96260245    -13.96131356
  H     14.28815559     15.79356749    -12.14833015
  O     13.77027352     11.09578932    -10.56209759
  H     13.73182097      9.13605044    -13.39944017
  H     17.07888513     10.45232140    -11.81463431
  O     12.02858600     10.66641618     -8.48774493
  H     12.73720543     13.30588998     -6.69159907
  H     17.99259966     11.02284733    -12.92077072
  O     16.29119206     13.49145533    -11.24653434
  H     12.60764704     12.19609992     -7.76179737
  H     10.57761182     11.12465865    -13.19693214
  O      9.70286530     10.21776569     -9.98785986
  H     14.12046711     10.24866343    -17.22474859
  H     10.63189799     11.87306636    -14.54037742
  O     13.21060281     12.50742795    -12.90399391
  H     14.02826727     10.26338247    -15.68382955
  H     14.76028275     12.73857855     -8.27235584
  O     16.94034381      9.37361890    -10.46291569
  H     13.28425892      9.32382370     -7.91799805
  H     15.90319398     11.68106599     -8.34758261
  O     14.34379848      8.39228363    -10.66713697
  H     14.12428975      8.38832187     -8.80179489
  H     15.59485345     10.66777690    -13.62796743
  O     14.07400990     14.92452766    -11.82052256
  H     14.45259382     11.58259069    -10.08247965
  H     14.19251612     11.31008799    -13.71917986
  O     17.10259531     11.05635566    -12.57820496
  H     13.53255345     11.60817055    -11.34413465
  H     11.74804901     10.79002167    -16.33752684
  O     10.60686491     12.01202800    -13.58313379
  H     12.59912896     10.82037746     -9.25883445
  H     10.36932644     10.23419948    -15.94330296
  O     15.51616223     12.44432131     -8.79702968
  H     11.16486442     10.43886114     -8.85029429
  H     16.93835303      9.75665205     -6.93967130
  O     14.73473618     10.57835402    -14.05425257
  H     16.17174466     13.20408461    -10.32997794
  H     15.60095607      9.55723927     -7.69294242
  O     10.83850198     11.05249521    -16.15057414
  H     16.57533976     12.71422818    -11.74092157
  H     12.39325397     13.95741377     -9.13388420
  O     16.44225645     10.04862225     -7.69944472
  H      8.80967960     10.04633526     -9.70169195
  H     12.71134248     14.56076747    -10.52027276
  O     11.98999167     14.26518424     -9.95256175
  H      9.72881140     11.14590816    -10.29201238
  H      8.80549385      8.27994999    -15.08376271
  O      9.69195544      8.63214568    -15.08380672
  H     12.27724330     12.45196745    -13.15094900
  H      9.90485531      8.85287420    -14.16201043
          69
 Energy    -248.99543784429326     
  O     13.17505235     14.72332534    -12.51048318
  H     12.64029056     15.51315246    -12.51899147
  H     13.78402236      9.34565298    -15.54824062
  O     16.76854134      9.26129556    -16.95930750
  H     13.40011612     14.52829552    -13.43607613
  H     16.17386058     10.82372823    -17.60385725
  O     14.75882647      8.81060512    -11.43112035
  H     17.39088720      9.25601198    -16.22455517
  H     16.59582159     12.30593134    -17.68105855
  O     17.95578103     14.61607162    -13.08926634
  H     16.05654760      8.65741474    -16.70991309
  H     14.26236137     12.07901326    -17.41899359
  O     14.68225915      7.78501254    -15.75988157
  H     13.94275471      9.11116223    -11.85963322
  H     12.81383570     12.39105867    -17.87455038
  O     13.99695277      6.19141574    -10.73002454
  H     14.55139613      7.96363872    -11.01837239
  H     12.64688213     13.01416868    -11.76699671
  O     15.25410767      5.34142023    -12.99384142
  H     17.19864072     14.51378958    -12.48377193
  H     13.54994973     11.93004739    -11.17683435
  O     15.33036598     11.75666367    -14.03518338
  H     18.57929113     15.18791201    -12.65009113
  H     18.40092707     10.40275817    -14.46618389
  O     12.41122798      9.68033073    -12.67305412
  H     14.09004247      7.03822536    -15.61085764
  H     19.38739297      9.21456660    -14.52684557
  O     16.32942962      7.89638454    -13.53996620
  H     15.26076864      7.82383435    -14.98197914
  H     12.60019958      6.13771934    -14.08996758
  O     17.99492608     12.14663765    -14.42556723
  H     14.47734598      5.79101444    -11.47686413
  H     12.44329126      5.06590604    -15.19463074
  O     13.38805127     10.16119347    -15.21065963
  H     14.03975129      5.57101464    -10.00791470
  H     16.99115840     15.11199107    -14.68197877
  O     15.85964849     11.70790439    -17.84640443
  H     14.57142987      5.30177202    -13.67527905
  H     17.00810770     14.66163974    -16.14988609
  O     13.35830478     12.26737377    -17.10210733
  H     15.79108743      6.11686843    -13.20767677
  H     15.33058304     10.56268819    -11.08869037
  O     12.63206270     12.11808246    -11.41305003
  H     14.93372009     12.60529259    -14.27229251
  H     15.41075013     11.59950654    -12.22148563
  O     18.46084888      9.43948599    -14.56930347
  H     14.74803615     11.08312491    -14.40806592
  H     13.73208113     13.53911087    -15.76637461
  O     13.05799421      5.69532258    -14.82795853
  H     12.64423420      9.86812377    -13.59310300
  H     14.85379660     14.52119073    -15.26663828
  O     16.48922669     15.15838817    -15.50550184
  H     12.31837069     10.53287015    -12.22401893
  H     11.96397571      7.88360154    -12.65176965
  O     15.42034836     11.50900649    -11.25556129
  H     15.87270110      8.30978881    -12.79360122
  H     12.50600163      6.64862167    -11.90290054
  O     14.04319137     14.05275656    -15.01121892
  H     17.09765616      8.43181898    -13.76771658
  H     15.75601947     13.32747709    -11.21017015
  O     11.97283745      6.91631906    -12.66080378
  H     17.04587798     11.95292043    -14.34663370
  H     14.92710582     14.51245668    -11.74833735
  O     15.81926822     14.25106286    -11.49156069
  H     18.14531085     12.94333442    -13.90124768
  H     18.11905635     12.82183525    -16.11493126
  O     18.06429885     13.28338077    -16.96782593
  H     13.27278109     10.78508485    -15.93686741
  H     18.93926668     13.26985344    -17.34784507
          69
 Energy    -248.99538173521071     
  O      9.76567085     12.68869847    -11.02836036
  H      9.67596944     13.37580679    -10.37316952
  H     15.84019870      8.96981464    -10.34763096
  O     13.50712452      7.40040645    -16.27862675
  H     10.43345374     13.00555729    -11.65976947
  H     13.59739796      8.48635258    -10.39442310
  O      9.80330895      9.98465578    -11.18015589
  H     13.92420535      6.76129074    -16.85009833
  H     14.12745611      7.81177731    -11.66971807
  O     13.56035381      7.94221041    -13.51178542
  H     13.64746954      8.27385785    -16.68630084
  H     14.52217393     14.47843144    -11.84253502
  O     13.68046034      9.88385527    -17.38867945
  H      9.73445897     10.95289509    -11.10270002
  H     14.63354523     14.67961153    -13.36577224
  O     11.22740732      9.46359769    -13.57359412
  H      8.93514500      9.63045941    -11.00623995
  H     12.77831082     10.41245809    -10.50463398
  O     13.58891534     10.42807666     -7.53358164
  H     13.60894875      7.61424684    -14.41857240
  H     11.41669602      9.74864458    -10.20598863
  O     13.52243856     11.48967856    -11.67702779
  H     12.72652207      8.43210653    -13.44741024
  H     17.36254842      9.92557023    -11.68928629
  O     17.25551568     12.96268093    -12.69319122
  H     14.08044610     10.61435596    -16.89872230
  H     18.45746478      9.61033297    -12.73981434
  O     11.72942669     13.34954423    -12.80015239
  H     12.76893555     10.15116095    -17.55852950
  H     12.71461821     11.89617491    -15.27774733
  O     14.47932411     11.92702756    -15.61568702
  H     11.41792197     10.30768538    -14.00498293
  H     11.34865822     11.50231769    -15.89238283
  O     16.60939121      9.54605578    -10.22300271
  H     10.71299692      9.64272205    -12.77834053
  H     14.73168469     12.60852318    -10.96128911
  O     14.35514547      8.00695959    -10.75274999
  H     13.40826630      9.73376546     -6.90438782
  H     15.64765365     12.84707452     -9.75759230
  O     14.03838969     14.79647058    -12.61519059
  H     13.07616346     10.20487839     -8.32736608
  H     14.66674512      9.36193263    -13.57108560
  O     12.32708370      9.80227370     -9.89811486
  H     14.06312448     11.06693454    -12.35791686
  H     16.00739623     10.13429774    -13.29209084
  O     17.69108756     10.15303658    -12.58002634
  H     12.90208308     12.09585284    -12.10123920
  H     10.72533733      9.64802252    -16.98252324
  O     11.77025716     11.80598887    -15.07968280
  H     17.52465181     12.03697722    -12.68222553
  H     10.19941594     10.59397093    -18.09002144
  O     15.39134383     13.22428673    -10.60659232
  H     16.70473177     13.08931844    -11.90800560
  H     15.08602818     11.24497686     -7.99502129
  O     15.09578922     10.22783464    -13.59499703
  H     12.47147421     13.97345414    -12.79273083
  H     16.47335591     11.76438920     -7.55697247
  O     10.86463332     10.51092667    -17.41270153
  H     11.66166022     12.94930905    -13.67779527
  H     16.46090835     13.73102803    -14.02183753
  O     15.91856336     11.62721363     -8.32091878
  H     14.75247734     11.30232762    -14.92452142
  H     16.46621611     14.82004446    -15.12144178
  O     15.91376500     14.16588319    -14.70201330
  H     14.95090869     12.74888663    -15.43842120
  H     10.76698337      8.51655940    -15.12106650
  O     10.74840619      8.17469149    -16.02602073
  H     16.37566219     10.20816870     -9.56505646
  H     11.60280936      7.74429173    -16.15434850
          69
 Energy    -248.99516880678721     
  O      0.91156709      0.32994318      3.17347743
  H      1.11544213      1.25666870      3.35019838
  H     -3.12854901      0.14796225      3.06541921
  O     -3.16554210     -0.17210302     -2.82989406
  H      1.29241699      0.09064383      2.31490399
  H     -2.28758216      4.97574218     -0.24107004
  O     -0.53672272     -1.25488244      5.00728985
  H     -2.28576158      0.22076488     -2.77210937
  H     -2.09417324      3.49942428      0.18538722
  O     -4.44098039      0.17086882     -0.41161858
  H     -3.02494392     -1.12499129     -2.75636555
  H     -3.17091668      0.39705297      5.10729184
  O     -2.67934895     -2.90405923     -2.11084912
  H     -1.15544843     -0.61720575      5.38307917
  H     -3.09618633      0.55640969      6.64318614
  O     -0.15361168     -1.90891992     -1.05849809
  H      0.07207500     -0.75382521      4.44795866
  H      0.86689257      3.52341461      1.85663599
  O     -3.45073731      3.59210323      2.77294216
  H     -4.16567595      0.13726158     -1.34038063
  H     -0.15642647      4.06101533      0.82853934
  O     -4.34612547     -2.70050424      3.08590518
  H     -4.26052523     -0.70826815     -0.05090713
  H     -3.00444958      1.28752186     -0.24305129
  O      1.04028386      3.09440523      3.65953249
  H     -2.95823306     -3.72802415     -2.50326421
  H     -1.57585104      1.44926888     -0.83040231
  O     -0.51761796      0.67915212     -2.03763192
  H     -3.14936613     -2.82904393     -1.26398184
  H     -0.77983834      0.46794968      2.54053128
  O     -5.40228809      1.67830506      1.70302773
  H     -0.83487114     -2.33946615     -1.58745776
  H     -1.72230538      0.93924267      1.38102915
  O     -3.97107951      0.07554670      3.54415885
  H     -0.40704871     -2.09654350     -0.14064538
  H     -2.79083895     -2.36962111      0.68346657
  O     -1.98805876      4.42334484      0.47673925
  H     -2.99645416      4.00247651      2.02628759
  H     -4.17809722     -2.61854980      1.24967696
  O     -2.56804861      0.57532015      5.84894458
  H     -4.11230128      3.00415931      2.39367997
  H      1.80751526      0.53528195      0.04358116
  O      0.72834840      3.68736568      0.91553572
  H     -3.52344835     -3.06494013      3.43492975
  H      1.31263583     -0.91717129      0.02514682
  O     -2.19126621      1.80364201     -0.17347290
  H     -4.32572993     -1.76340441      3.32271138
  H     -2.18527375      3.16281796      3.99453714
  O     -1.64380393      0.33445895      2.12800506
  H      1.56681188      3.59220474      4.27882006
  H     -1.79295303      2.16111529      5.10504759
  O     -3.72213300     -2.41689091      0.42099798
  H      0.13363082      3.06534691      4.01959918
  H      2.45867318      2.51106887     -1.41617482
  O      1.72801417     -0.25775040      0.58890136
  H     -0.34560404     -0.21686252     -1.71148086
  H      1.36000367      2.69387395     -0.34181761
  O     -1.46420037      2.90258290      4.58643609
  H      0.27517584      1.19830455     -1.85082102
  H     -1.34962224     -4.23759478      4.37252110
  O      1.69164813      2.09338488     -1.03392903
  H     -6.32343612      1.90598038      1.59982863
  H     -1.25340745     -2.69430135      4.36924571
  O     -1.66423204     -3.45775736      3.92354367
  H     -5.15466816      1.16834544      0.91462973
  H     -1.29105070     -1.35182569      1.70006705
  O     -1.15694113     -2.27719910      1.44328186
  H     -4.59754921      0.62068329      3.05566966
  H     -1.24139775     -2.80492452      2.24612315
          69
 Energy    -248.99511415626336     
  O     17.78368703     10.04434558    -14.82380122
  H     17.88317921     10.91118181    -15.23240220
  H     14.86945948     10.75051483    -13.37903909
  O     14.06935024      8.04535433     -9.47030069
  H     17.28179910     10.15927123    -14.00119876
  H     11.73766386     11.86073710    -11.30649743
  O     18.02904208     12.67679811    -15.69572695
  H     13.33797954      8.11869250    -10.11266619
  H     13.08767836     11.20793605    -10.92601308
  O     12.19789300      8.40460976    -11.35358060
  H     13.73484241      7.56133619     -8.72082157
  H     18.47658870      5.71102167    -12.22360526
  O     16.37547767      7.76858318    -15.55747125
  H     17.21660988     12.96724417    -15.24140630
  H     18.53170918      4.17239003    -12.34843104
  O     19.81665030      8.52986375    -13.84564555
  H     18.07207760     13.15069117    -16.52124760
  H     15.40468808      7.74844458    -10.66323555
  O     21.00376927     10.63639952    -12.56729962
  H     12.42639935      7.95663310    -12.18209400
  H     15.77560752      7.09084933    -12.04362197
  O     18.80256238      7.35379744    -11.46592017
  H     12.14022168      9.34647083    -11.54743375
  H     18.06102025      6.66142717    -15.51939445
  O     13.05348526      7.18301463    -13.67887557
  H     15.49883031      8.12216081    -15.75313943
  H     18.68473145      5.70510584    -14.48463801
  O     15.86365923     13.33702692    -14.22103981
  H     16.91964441      8.54783983    -15.37279900
  H     17.54688792     14.78491865    -11.54233389
  O     13.84957199      9.08218052    -15.69155960
  H     19.71841489      7.71431299    -14.35535130
  H     18.18537260     13.58772490    -12.28769938
  O     14.10058571     11.12190601    -13.84080332
  H     19.14855137      9.13433473    -14.20493085
  H     16.54141604     10.71689991    -11.80654283
  O     12.41636681     11.27465528    -11.63016805
  H     20.69711970      9.84989366    -13.04918570
  H     16.16091279      9.26828394    -12.18349098
  O     18.18645495      4.95829198    -12.76443438
  H     21.95557093     10.57960010    -12.52836911
  H     20.02634227     12.18553372    -13.04818094
  O     16.07209043      7.70638447    -11.35927362
  H     17.85270432      7.52987650    -11.37292455
  H     19.15062735     12.84837502    -14.14522479
  O     18.90243838      6.30846119    -15.20595965
  H     19.11386805      7.80344261    -12.26458526
  H     17.78707245     11.10204193    -10.20040060
  O     17.38429603     13.88690597    -11.81967389
  H     13.82703831      6.60970991    -13.61499236
  H     17.13672232     12.44547537    -10.69076500
  O     16.29897795     10.15176883    -12.55064776
  H     13.23687420      7.79014145    -14.40519598
  H     16.41533215      5.47915680    -13.28412535
  O     19.48155532     12.95663575    -13.24513199
  H     16.20763298     13.53791047    -13.34198373
  H     15.92314586      6.59884559    -14.23620910
  O     16.95327667     11.59001514    -10.28157625
  H     15.17076218     12.67352302    -14.11442651
  H     19.14567952      9.10068709    -10.50789522
  O     15.64828033      6.01873950    -13.50942654
  H     13.90932086      9.84676368    -15.09496638
  H     19.89422232     10.33663350    -11.01900016
  O     19.24215766     10.04905098    -10.36875303
  H     13.29730570      9.34838887    -16.42276021
  H     15.21809353     11.17348763     -9.79569099
  O     14.29325449     10.90578873     -9.71109469
  H     13.41760883     11.23517128    -13.16694660
  H     14.29669553      9.96634866     -9.49274671
          69
 Energy    -248.99478760831201     
  O     13.96281671      4.54304749    -16.87394763
  H     13.96439037      4.32156745    -15.93172355
  H     19.45603256      5.04609121    -15.23317600
  O     17.23797892      6.34716959    -11.70815508
  H     13.60554207      5.43704723    -16.91546120
  H     19.63711274      8.30900393    -16.78251526
  O     20.06496585      6.67683938    -17.68363114
  H     16.74485040      7.06914446    -12.12611908
  H     18.51526452      8.25785676    -15.74437883
  O     17.29193258      6.40210299    -18.54469467
  H     18.16797663      6.48903060    -11.92513792
  H     17.34541159      6.20322868    -15.35995750
  O     12.86010134      5.99982983    -11.28332774
  H     20.83989924      6.45891094    -18.19471277
  H     16.59181950      7.41469721    -16.01574345
  O     14.06457360      4.36292715    -14.10528717
  H     20.19474710      6.28530423    -16.80109551
  H     12.24478504      7.63867613    -16.65266540
  O     15.93073502      8.28752402    -13.14977647
  H     17.04701031      5.48584670    -18.36818636
  H     13.17431819      7.23694587    -15.48772189
  O     17.77613650      4.39886951    -15.39855056
  H     18.22288216      6.48728208    -18.30589291
  H     15.16771504      3.77373760    -10.35711236
  O     12.53732598      3.26032318    -12.09223215
  H     13.65779074      5.95270600    -10.74192996
  H     14.19172841      2.89362260    -11.15250649
  O     19.42086913      9.48685056    -13.43830738
  H     12.59356568      5.08368422    -11.42842507
  H     20.64078481      6.93589472    -12.04794788
  O     16.39494971      3.79287325    -17.76093446
  H     13.89795236      5.30839670    -13.98526007
  H     19.70370461      7.87651046    -12.83829018
  O     20.23871130      5.61434161    -15.17235631
  H     14.94967484      4.19016036    -13.75617383
  H     16.84595476      4.75626219    -12.57285977
  O     19.18872793      8.84655932    -16.12170349
  H     16.38888267      7.88069810    -13.90565241
  H     16.15909449      3.40645599    -12.25064183
  O     17.13196947      7.13824732    -15.26176053
  H     16.15489941      9.22509857    -13.16747607
  H     16.06322176      5.89680940    -10.41954164
  O     13.08727697      7.23596554    -16.45559696
  H     17.35952718      4.05228178    -14.59786536
  H     15.55172478      5.94503005     -8.96401564
  O     15.10500544      2.94154919    -10.84377495
  H     17.31126146      4.05943865    -16.17277614
  H     16.09897425      7.59615995    -17.92387308
  O     19.84504462      6.94944430    -12.57485797
  H     13.00517497      3.56817146    -12.88729455
  H     14.72736741      7.85338560    -17.18168877
  O     16.55686281      3.92188909    -12.96719988
  H     11.83292696      2.69109177    -12.39081699
  H     14.31748828      7.58655715    -13.52303572
  O     15.33580738      5.62459356     -9.83662759
  H     18.62173987     10.01544398    -13.33757791
  H     13.14568000      6.81377700    -12.86516194
  O     15.61299050      8.19926855    -17.33877004
  H     19.53180573      9.37111155    -14.39351773
  H     16.83215701     10.79593376    -14.55484256
  O     13.51087145      7.08916874    -13.71951528
  H     16.31879223      3.02433342    -18.31976677
  H     16.67383067     11.77934118    -13.37116314
  O     16.87518369     10.87246482    -13.58390874
  H     15.48972357      4.04665216    -17.50495692
  H     16.32754840      9.82012589    -16.69879892
  O     16.90323123     10.46495272    -16.26665723
  H     20.16085713      6.07164135    -14.32862028
  H     17.79386557     10.10113869    -16.36488284
          69
 Energy    -248.99447260280525     
  O     14.33015803      9.59706198    -10.44055179
  H     14.15143949     10.22314336    -11.15542293
  H     13.31817707      8.13623549    -10.03324235
  O     13.09902339     10.54186258    -16.24656892
  H     15.05108420      9.93828245     -9.89509301
  H     19.51086757      7.00414302    -15.34531556
  O     16.63627829     11.02374276    -13.53353362
  H     13.02400584     11.38447308    -15.78119593
  H     18.25256939      7.87575484    -15.13262623
  O     13.74678215      4.74985258    -12.92250717
  H     12.84037442      9.86485745    -15.60870687
  H     14.25228437     13.01149583    -15.01918328
  O     16.81898565      7.51589043     -8.41941190
  H     17.19753290     10.98570590    -12.74566451
  H     12.97001753     13.82458857    -14.71349845
  O     15.89945161     12.78867323    -15.57866471
  H     15.71889736     10.94746162    -13.24211978
  H     12.30465228      8.07735350    -13.55816320
  O     15.88338814      7.84431273    -11.97589550
  H     14.43675349      4.82360171    -12.24855806
  H     13.59215341      8.23018301    -14.39290102
  O     13.89934353     10.91624916    -12.82203276
  H     14.21965671      4.54373403    -13.72944852
  H     15.46256187     10.59605088    -18.36532326
  O     18.64941270      8.00319330    -12.08012725
  H     16.07091223      6.90960435     -8.40785411
  H     14.66128124     10.50637634    -17.04595995
  O     18.14236148     10.65126646    -11.28474234
  H     17.52828256      7.04361909     -8.87802969
  H     10.92854274      6.18011332    -12.53381372
  O     16.65315204      5.23528539    -14.10910826
  H     15.89285418     12.16671531    -16.31564002
  H     12.44599180      5.92534708    -12.67710437
  O     12.91559512      7.26190710     -9.93173841
  H     16.31163653     12.31252420    -14.84313226
  H     14.27905924      5.09773428     -8.06538763
  O     18.74553039      7.11320973    -14.78569129
  H     15.33576218      8.43611242    -11.44655921
  H     14.00058857      6.17244049     -9.14626424
  O     13.33695865     12.94537387    -14.69176637
  H     15.53803717      7.82689508    -12.87647931
  H     15.94877713      6.16101231    -11.44225701
  O     12.79336685      8.70143605    -14.10625926
  H     13.47191471     10.15307909    -13.23831245
  H     15.57851181      5.15197438    -10.33804499
  O     15.55952383     10.57254447    -17.41709086
  H     13.62943779     11.69286187    -13.32678712
  H     17.83330011      5.54027697    -10.44674458
  O     11.77977242      6.60957835    -12.49080697
  H     17.68097167      8.01344335    -12.01117151
  H     18.77805555      6.71574551    -10.72496109
  O     14.68798153      5.59261883     -8.76986865
  H     18.84843290      7.70835236    -12.97523120
  H     15.80615653      8.09510693    -15.06754017
  O     15.96844956      5.21456962    -11.22083148
  H     18.52994882      9.79091257    -11.49518640
  H     15.58489606      6.63744448    -14.56521039
  O     18.54713899      6.05553001    -10.05627113
  H     17.67475716     10.53562247    -10.44900266
  H     16.70682808      9.21090832     -8.70161976
  O     15.15694636      7.49792189    -14.67286278
  H     16.64945574      5.06969673    -13.15967413
  H     16.75244696     10.63938707     -8.10847838
  O     16.59874414     10.15613371     -8.91588704
  H     17.46245172      5.72750412    -14.30193998
  H     16.70712725      9.64457802    -16.30287012
  O     17.14291177      9.23071504    -15.54691457
  H     12.46101364      7.07581092    -10.76046026
  H     17.05694820      9.84975871    -14.80442916
          69
 Energy    -248.99413317432698     
  O     -9.38469282      0.73731014      3.80575414
  H     -9.77388203      1.36249452      3.17908782
  H     -5.94845697     -0.38128964      3.25145964
  O     -5.84729901      2.38441420      6.57976988
  H     -9.83384439      0.84427140      4.65435694
  H     -9.82932953      0.63773090      6.84110574
  O     -8.26215288      4.97627398      5.29369247
  H     -6.35414901      2.43335882      5.75299098
  H    -10.25917340      2.10560156      6.57594586
  O    -12.85831159      2.07362796      5.20476345
  H     -6.46096782      2.60009384      7.29717176
  H    -12.56792878      4.44244097      3.09203843
  O     -7.38064883      2.58999954      4.31311945
  H     -7.97731136      4.10757501      4.96589290
  H    -11.34230890      5.36650575      3.21498078
  O     -7.86558019      2.60880945      8.44887490
  H     -7.50243225      5.55863583      5.17497705
  H    -12.91056802      2.33477016      3.48108705
  O    -10.02220229      3.84676525      7.06148892
  H    -12.12254730      1.60150911      5.61503933
  H    -13.70916730      2.28106936      2.15703411
  O    -12.55438893      4.74536555      6.19379940
  H    -12.88054661      2.93930384      5.63214753
  H     -8.16279082     -0.27719543      2.86399320
  O     -7.01436889      5.81877606      1.94182895
  H     -8.02021813      1.88339927      4.16439789
  H     -7.57810925      0.03651586      1.49043210
  O     -3.92814910      2.00375410      2.88876573
  H     -6.97200878      2.79960403      3.46352477
  H     -8.76344410      5.49001790      2.33203996
  O    -10.18821244      2.62214738      1.88729270
  H     -8.12590673      1.68141768      8.40830707
  H     -9.24453865      5.13605195      3.73745680
  O     -5.18740637     -0.18980955      3.82132510
  H     -8.63040279      3.11135931      8.13903357
  H     -6.75044313      2.54053923      1.23249573
  O    -10.42783388      1.18623421      6.32048478
  H    -10.89939603      4.21010818      6.89013094
  H     -5.39654184      2.71167320      2.01575342
  O    -12.24392088      5.23374808      3.53818012
  H     -9.40742953      4.33524060      6.49301178
  H     -7.58768322     -0.31958302      7.36176808
  O    -12.89884360      2.60118540      2.54385727
  H    -12.43622817      5.00737985      5.26305087
  H     -8.57104728     -0.93061768      8.38081084
  O     -7.44231680     -0.51989644      2.26477664
  H    -13.18523633      5.35223051      6.57175245
  H     -5.75111866      0.63704491      6.67061147
  O     -9.53608005      5.16600419      2.81624302
  H     -6.59200945      6.10269911      2.76146303
  H     -5.09913332     -0.69791124      7.10075629
  O     -6.24564829      3.12504560      1.81155684
  H     -6.68197603      4.92345664      1.78594961
  H     -4.68401903      3.51689822      5.62940329
  O     -8.44359753     -0.18579061      7.79725009
  H     -4.34369415      1.19909191      3.24951933
  H     -4.09689404      3.40639374      4.21134347
  O     -5.87003732     -0.32976712      6.67439247
  H     -3.08383029      1.74060478      2.53284870
  H     -8.32438927      1.56945896     -0.55660994
  O     -4.30835483      4.03904593      4.90764999
  H     -9.92115064      3.50290834      2.18907748
  H     -8.88796550      1.93359084      0.83398972
  O     -8.11017257      1.57699171      0.37308834
  H    -11.14827796      2.57231853      1.98136902
  H     -5.37159033      7.02413446      4.86779384
  O     -5.85946730      6.26199999      4.56700140
  H     -5.47348714     -0.35176469      4.72430998
  H     -5.26621372      5.49670447      4.66716588
          69
 Energy    -248.99390515037879     
  O      9.78343422      6.06352793    -13.19636246
  H     10.41484482      5.67343905    -13.82896108
  H     16.07733057      7.16248710    -13.49668652
  O     13.09595081      3.73518359     -8.74134662
  H      8.92474709      6.03220675    -13.60981149
  H     13.58955088      5.01566201    -12.12941173
  O     16.71174802      8.53438354    -12.50707123
  H     12.49666569      4.46240323     -8.53703824
  H     14.54125634      6.18208328    -12.39958444
  O     16.66242331      7.53369418     -8.72192450
  H     13.97413964      4.13006681     -8.83678904
  H     10.86421853      3.84165269    -11.01117553
  O     11.97876471     10.94818215    -13.14415918
  H     16.11755267      8.66905574    -11.75594610
  H     10.13212250      5.06215960    -11.64343602
  O     11.17294256      5.88271994     -8.58445869
  H     16.65346039      9.33160544    -13.04911602
  H     16.69908669     11.44682216    -14.52764661
  O     13.11426053      7.54783965    -14.88391271
  H     16.88282491      7.96561770     -7.90045652
  H     15.38459151     10.62962377    -14.50603129
  O     16.16866483      3.77374597    -13.63408787
  H     16.09377819      8.14812977     -9.21615888
  H     13.06775161      6.91861961    -10.77391681
  O     14.46019901     11.30371542    -11.73037942
  H     11.70757261     10.03082215    -12.97297606
  H     12.11872201      7.14621473     -9.57071182
  O     17.39236394      4.31413017    -11.31407440
  H     11.18501679     11.47693024    -13.12553865
  H     17.99762922      7.49295356    -11.58554098
  O     15.42765485      5.07400569     -9.41878214
  H     10.78991013      5.44208127     -9.36617245
  H     17.98252273      7.08717155    -10.11178217
  O     15.48398490      6.53005788    -13.92675462
  H     10.47810851      5.94652803     -7.93489003
  H     14.82101736      9.91346934    -10.68169812
  O     13.98308129      5.79268398    -11.71481634
  H     13.97189943      7.19213741    -14.60449646
  H     14.14341395      8.59708217    -10.20724248
  O     10.32445067      4.61447253    -10.81074376
  H     12.62390743      7.78545800    -14.08561239
  H     13.15937897     10.61768721    -14.61949913
  O     16.18286140     10.85007469    -13.99287422
  H     16.73638115      3.24080593    -14.18420391
  H     13.61805589      9.31671114    -15.29338598
  O     12.61493932      7.60669924    -10.25728554
  H     16.64035321      3.90985154    -12.79139583
  H     11.97198335      1.53095267    -10.70513910
  O     18.39997145      6.88010778    -10.95649695
  H     13.58994298     11.26079947    -12.14556744
  H     12.57805645      2.83280754    -10.13301697
  O     14.99688816      9.04215065    -10.29618761
  H     15.09655493     11.30049232    -12.45612055
  H     10.77703593      7.60864821    -12.83180071
  O     13.83483942     10.25437264    -15.20560626
  H     16.78030110      4.35068803    -10.56948080
  H     11.79544225      8.12398993    -11.78049648
  O     12.22870167      2.41817905    -10.94259103
  H     17.88354926      5.14743154    -11.27045973
  H     12.20059861      5.89002453    -15.05282267
  O     11.43197430      8.29662315    -12.66075000
  H     14.96224688      5.34086230    -10.22583124
  H     12.26458416      4.49502047    -14.37761115
  O     11.67527647      5.10801429    -14.83813892
  H     15.85092601      5.86776045     -9.06944001
  H     13.06307409      2.98956953    -12.49080635
  O     13.35259528      3.54332975    -13.22839576
  H     15.87607550      5.64899720    -13.91914960
  H     14.30798267      3.45654250    -13.34400725
          69
 Energy    -248.99387174494916     
  O      0.11321279      3.19496207      2.66663336
  H      0.87903554      2.60740945      2.64930415
  H      1.34002439      1.42446651     -0.61202066
  O     -3.13530503      4.79556048      0.68025087
  H     -0.62279889      2.74763634      2.22687699
  H     -0.86001855      4.50891656     -2.41721470
  O      1.33075669      7.63905437      1.22740454
  H     -2.62596335      5.16810829     -0.05549792
  H     -0.31984018      3.05546080     -2.33689110
  O     -1.42794411      5.71684684     -1.26829937
  H     -2.97338322      5.36800724      1.43972371
  H     -1.20943154      8.56972630     -0.62541136
  O      2.78432804      4.21184915     -0.69659620
  H      2.00431900      7.36724874      1.86110877
  H     -1.52682996      9.18402512     -2.01168742
  O      0.47364613      5.06009904      0.57707498
  H      1.69800877      7.67579668      0.33073077
  H     -2.39119718     -0.59159002     -3.06191024
  O     -2.39694104      6.51091897      2.81461186
  H     -0.72786094      5.50683080     -0.62750300
  H     -2.68667831      0.91632704     -2.84908301
  O     -0.41395191      1.62018848     -1.14706036
  H     -1.36996992      6.65925956     -1.46643109
  H      3.35984209      3.35355468      2.23521523
  O     -0.00718071      5.69240010      3.84796730
  H      2.72309430      4.55431978     -1.59432625
  H      3.57301885      4.27542707      1.02184013
  O     -1.97577830      2.30564183      1.08715010
  H      1.96371539      4.49143142     -0.26070852
  H     -4.49607250      2.31802648     -0.76466388
  O     -1.27085179      8.52313383      1.10096901
  H      0.70948674      5.93406873      0.91835677
  H     -4.22206551      3.81255091     -0.54786166
  O      2.23797280      1.49937820     -0.26347445
  H      0.35535308      4.46527453      1.32713957
  H     -3.54600904      2.87485068     -2.73709625
  O     -0.41798582      3.81317062     -2.93005549
  H     -2.95350116      6.76575340      3.54670900
  H     -2.16719782      3.04122341     -3.43612337
  O     -1.07284249      8.46284226     -1.58539812
  H     -1.54103986      6.25135372      3.19887692
  H      2.82561911      0.88178837      2.80165053
  O     -2.47564649      0.07999946     -2.39131603
  H     -0.99071537      0.98537391     -1.58704525
  H      2.39537008      1.51023228      1.45236407
  O      3.67769411      4.22795321      1.98144137
  H     -0.89089304      1.92296473     -0.36173409
  H      1.11673339      4.74653452     -3.16836617
  O     -4.52710318      3.17464199     -1.20522970
  H      0.02538696      4.75598996      3.60246705
  H      2.24553499      5.29248177     -4.06799600
  O     -2.96746398      2.50508256     -3.42181245
  H      0.89354445      6.01985197      3.75299879
  H      3.13107998      5.63284540      2.84852078
  O      2.44796667      1.66586043      2.41358201
  H     -2.64570447      1.64731299      0.86832453
  H      3.43446879      6.71880218      3.90533999
  O      1.92671532      5.28269988     -3.16881669
  H     -2.38889345      3.17464461      0.97048571
  H     -4.48344064     -0.14500218      0.19525662
  O      2.77318537      6.42683392      3.28375392
  H     -0.33424050      8.32666293      1.25874657
  H     -3.43535781      0.28894597     -0.85462718
  O     -3.89046335      0.56360513     -0.04223136
  H     -1.76106100      7.91031114      1.65939860
  H      1.79956239      6.90638472     -2.08242218
  O      1.70042425      7.66738049     -1.49974734
  H      2.54237760      2.38126477     -0.51916342
  H      0.81089009      8.00989527     -1.65665251
          69
 Energy    -248.99323964382364     
  O     16.18950316     10.70708586    -11.38621154
  H     15.49187119     10.16803970    -11.78307090
  H     12.86701696      9.75270601     -9.10807375
  O     15.26877724      6.26873370     -6.44679680
  H     17.03103755     10.36293098    -11.72060549
  H     19.06754096      4.93534711    -13.02271240
  O     17.11094682     12.79217535     -9.84403628
  H     15.36375758      5.64013205     -5.73639110
  H     17.68070721      5.61658461    -12.95025730
  O     12.79741622      7.11839096     -7.59917184
  H     15.45659757      7.14755345     -6.06892926
  H     16.15474070      7.60512730     -9.04704851
  O     14.43304430      8.85810960    -12.44698883
  H     17.01037481     13.64477692    -10.26181929
  H     16.04512369      6.34522326     -8.16607539
  O     18.62955821      9.61983870    -12.04178366
  H     16.68709812     12.14583558    -10.43198471
  H     18.46016641      8.79731579    -13.67112721
  O     18.67653401      7.28632998    -10.41569016
  H     12.95083501      8.06740547     -7.70199867
  H     18.52644771      7.29432853    -13.95702175
  O     11.94025021      6.44077451    -10.06215211
  H     13.58489390      6.76039093     -7.17395750
  H     15.43107956      8.15231616    -15.79960719
  O     16.94102419     12.20599319     -7.06431558
  H     14.49143405      8.02410344    -11.95854457
  H     16.56658241      8.12283599    -14.74955357
  O     12.19121692      9.25008447    -10.71648846
  H     14.73974037      8.66299657    -13.34127413
  H     16.66249596      9.54837967     -8.33354411
  O     14.37349815     11.20434649     -6.17117619
  H     19.11822645     10.30086605    -11.55712726
  H     16.13247805      9.83927247     -9.79202084
  O     13.37471208      9.80360442     -8.28613292
  H     18.61680369      8.82828494    -11.48719934
  H     18.91000613     11.95262023     -9.98168362
  O     18.62825918      5.73873188    -12.75660111
  H     18.75443833      6.70257982    -11.18223014
  H     19.83492752     10.75819588     -9.62050655
  O     16.31961819      6.64722677     -9.03967383
  H     17.90257393      6.98876674     -9.91745586
  H     15.26481447      9.54108565     -5.59440779
  O     18.27076018      8.13599080    -14.35199244
  H     11.16185459      5.89184684    -10.03222600
  H     16.66205001      9.00411565     -5.93099351
  O     15.60583665      8.01911143    -14.87191883
  H     12.19765704      6.61904175     -9.13888489
  H     15.11845867      6.36819701    -10.38486453
  O     15.98570774      9.32784749     -8.98711961
  H     16.90087396     12.48832431     -7.98684361
  H     13.61645679      6.29248960    -10.80268879
  O     19.67172212     11.44267475    -10.28111514
  H     16.04013668     11.99235078     -6.78968946
  H     20.95007457      8.71512447     -8.56087388
  O     15.81489825      8.75275639     -5.53438666
  H     12.85226153      9.25271149    -11.42021808
  H     19.64453422      8.36278722     -9.30592032
  O     14.51695519      6.37290045    -11.14150239
  H     11.96012185      8.32238945    -10.58336619
  H     17.78422725     10.65353506     -6.97554315
  O     20.06556196      9.02771192     -8.73724939
  H     13.71218798     11.64926440     -5.64679159
  H     18.76131642      9.52736618     -7.50282843
  O     17.94406429      9.69652404     -7.02303614
  H     13.90392299     10.78410570     -6.91185332
  H     15.42413889      5.73462103    -12.58871237
  O     15.99372098      5.59582035    -13.35865378
  H     14.29572268      9.61596713     -8.52488762
  H     15.77494136      6.30490825    -13.97473959
          69
 Energy    -248.99316440662909     
  O     12.22134556     11.15129721    -15.05991488
  H     12.03947544     10.23641042    -15.31941359
  H     18.07816106      4.94939438    -15.24812614
  O     14.79897209      6.84174965    -12.01260754
  H     13.00649302     11.42136455    -15.54784549
  H     13.55839970      8.51418051    -14.56673224
  O     17.99349675      9.69865093    -13.41652731
  H     14.55903950      7.49363337    -11.34102891
  H     14.51660594      7.93943844    -13.47618915
  O     15.69271317      9.09415189    -16.64424847
  H     15.76103054      6.86127905    -12.10843748
  H     11.95732956     11.40025457    -13.36294199
  O     10.92491037      6.84062849    -13.47118722
  H     18.68562849      9.96988994    -12.80400930
  H     11.08163123     12.09130360    -12.29343773
  O     16.91017247     11.21171532     -9.92660068
  H     18.35216285      9.35011440    -14.24643253
  H     18.87559063      8.73663821    -10.36182299
  O     14.12880139      8.84740647    -10.22717206
  H     15.42502226     10.01712855    -16.72390151
  H     18.16554560      7.47069799    -10.87353476
  O     15.62563270     10.97350339    -13.71749536
  H     15.35487200      8.80404398    -15.78208176
  H     12.40815443      8.65163725    -11.04886546
  O     14.93977499      4.94418486    -15.75381593
  H     11.17383246      7.49132128    -12.78960044
  H     11.63152476      9.65146167    -11.92045864
  O     16.35911703      8.76931961     -8.51664132
  H     10.04083953      6.55110459    -13.26238282
  H     17.49414202      8.71114145    -16.23877685
  O     13.28360235      5.25149108    -13.65676858
  H     16.07173676     11.45226817    -10.33906315
  H     18.16241757      7.47159496    -15.64156607
  O     17.53427687      5.70698297    -15.04272952
  H     16.70583909     10.47790952     -9.33332038
  H     17.56142691      6.53538336    -13.36129645
  O     14.44782327      8.57574095    -14.19616083
  H     14.80072646      8.75656126     -9.54022210
  H     17.57894810      7.99937523    -12.85275504
  O     11.80546358     11.48028624    -12.40399379
  H     14.24375566      9.73235969    -10.60214321
  H     18.45716025     10.83106035    -10.69107793
  O     18.42908215      7.93333104    -10.06686919
  H     15.08793524     10.17337386    -13.83815767
  H     19.98282568     11.07742271    -10.74876232
  O     11.66692887      8.72213379    -11.66218556
  H     16.53112117     10.65209316    -13.59935600
  H     14.14402646      6.37114117    -16.79129676
  O     18.30863227      8.40894063    -15.81228514
  H     14.72591287      4.11418311    -16.17366784
  H     14.42701112      7.79655476    -17.28500152
  O     17.48235206      7.07850388    -12.56823209
  H     14.32923954      5.03618108    -14.99933925
  H     13.49571395     11.57407959    -11.55424308
  O     19.29456743     10.49686274    -11.06178645
  H     17.09556458      8.39010558     -9.02887472
  H     14.89596557     11.35521371    -12.14844215
  O     13.73594062      7.12269062    -17.23679523
  H     16.49965158      8.52040785     -7.60717693
  H     15.16151003     11.63966162    -15.30134273
  O     14.41672769     11.42435974    -11.30835279
  H     12.42130932      5.68139968    -13.63290688
  H     15.11807298     12.64516158    -16.47614617
  O     14.80564594     11.78888102    -16.19504344
  H     13.80877572      5.68674627    -12.96852891
  H     11.51772432      7.81567219    -14.95375384
  O     11.98797384      8.42260376    -15.53820101
  H     16.63015546      5.47520281    -15.30679273
  H     12.45967265      7.90789075    -16.21047217
          69
 Energy    -248.99286767825708     
  O      0.31724620      0.82457305      2.68767525
  H     -0.58927464      0.64808402      2.39603735
  H     -2.51670800      3.18776760      0.49214097
  O     -2.41685506     -0.25566580     -3.67581006
  H      0.91324791      0.41838183      2.03996027
  H     -2.74314635      1.97254471      5.02999791
  O     -0.60977331     -0.55504001      4.90698710
  H     -2.36108712      0.07397124     -4.56925390
  H     -2.29888476      1.88716738      6.50805440
  O     -4.20224154     -0.36635576     -1.46264924
  H     -1.68647398      0.15250336     -3.18174894
  H     -0.47716403      3.59211088      1.26640714
  O     -1.68270512     -2.87413694     -2.64512567
  H     -0.12009408     -0.07844108      4.22108093
  H      0.43859704      2.51536557      1.89124084
  O      0.13497918     -1.75610260     -0.87658043
  H     -1.25619367      0.07332122      5.24580570
  H     -1.82940900      1.48720523     -1.03922729
  O     -3.24532882      2.93661456      3.67283523
  H     -3.77938129     -0.31937848     -2.32866374
  H     -3.31316491      1.10544332     -0.82556876
  O     -4.09043687     -2.74660461      3.77791781
  H     -3.92516621     -1.21270297     -1.07992373
  H     -3.09381211      0.36369510      2.22586958
  O     -0.46157660      0.72780538     -1.96703486
  H     -2.36264999     -3.02934346     -1.97532473
  H     -2.32194577      0.74084302      0.94466688
  O     -4.78434041      0.80518973      2.83594762
  H     -1.97921952     -2.10451771     -3.14441084
  H     -2.70069205     -2.74106579      0.21183855
  O     -4.66722208     -0.45956217      5.38181239
  H     -0.33278406     -2.24952319     -1.56503166
  H     -4.20019927     -3.08415279      0.14825040
  O     -2.34207552      3.91069643      1.11747935
  H     -0.29489612     -1.99561619     -0.04285539
  H      1.96378971      0.67239133      0.04163100
  O     -2.58496242      1.35687754      5.76853939
  H     -3.91435658      2.32168604      3.33535053
  H      1.45732758     -0.77972271      0.06566563
  O      0.42565431      3.25442602      1.26727439
  H     -2.85205003      3.33718362      2.89068794
  H      2.31990873      2.88105369     -1.24443685
  O     -2.62719525      1.72826873     -0.54762097
  H     -3.14787213     -2.92284674      3.88686282
  H      1.19895073      2.72212316     -0.18882360
  O     -2.25753000      0.23245188      1.76281911
  H     -4.29621546     -2.02461135      4.38288337
  H     -1.01903346     -2.16295723      4.41310921
  O     -3.44448093     -2.84159577     -0.40016544
  H      0.27171003      1.32245445     -1.76394630
  H     -0.75699852     -3.68134726      4.55411938
  O      1.89122113     -0.10633977      0.60554450
  H     -0.24874631     -0.12743412     -1.56302980
  H     -1.24161102     -2.70411945      2.23810660
  O      1.59942979      2.31624003     -0.97942335
  H     -5.30368609      0.40839886      2.12098381
  H     -1.71633227     -1.41830461      1.52399583
  O     -1.27769238     -3.04065817      4.07772089
  H     -4.94360867      0.30434146      3.64315970
  H     -6.11523459     -3.87749292      1.66244936
  O     -1.37811292     -2.31457333      1.36812574
  H     -5.28989576     -0.39525025      6.10234774
  H     -4.99113507     -3.03971135      2.31590164
  O     -5.49601031     -3.17244676      1.49355556
  H     -3.93572979      0.14283117      5.59154899
  H     -5.55569503     -0.34555705     -0.08739951
  O     -6.01289938     -0.46041981      0.75462256
  H     -2.75868250      4.68960709      0.75589920
  H     -5.94096778     -1.39870548      0.97310290
          69
 Energy    -248.99280856167164     
  O     13.30966091     11.72533780     -8.63092775
  H     13.32846328     11.81059993     -7.68167792
  H     11.46951742     13.69652880    -13.51862042
  O     11.24979780     10.90874711    -15.40366234
  H     13.97981041     12.34018234     -8.98236785
  H     13.35195088     13.27767109    -12.61748103
  O     14.03170707      9.28739638     -9.99545135
  H     11.36194247     11.09590892    -16.34330241
  H     13.29415673     14.67014160    -11.95164322
  O     18.45764023     13.02711042    -13.26031786
  H     11.12862496     11.76408473    -14.96751176
  H     12.16676551     13.42770028    -17.03570215
  O     11.44658251     12.10453189    -10.67416899
  H     13.83039247     10.06165034     -9.45693890
  H     11.77210134     14.01125851    -15.67124831
  O     11.87726331      9.51664415    -11.78157651
  H     13.27470230      9.17340538    -10.58467333
  H     14.10255625     11.23562690    -13.49910812
  O     13.37595613      9.70228450    -14.10746795
  H     19.39796898     13.13829054    -13.36848263
  H     15.20482168     11.97921842    -12.66385425
  O     14.78199174     15.66420425    -11.41307602
  H     18.13617915     12.54742256    -14.04575058
  H     16.62968409     12.48412709    -15.62501140
  O      9.64452387      9.67276281    -13.40130783
  H     11.96569223     11.97031530     -9.87119442
  H     16.85643293     10.98023036    -15.39600649
  O     14.98430885     13.49183373    -15.57337637
  H     11.89819016     12.79926927    -11.17569322
  H     11.69536999     11.61382628    -18.91999258
  O     14.49888078     11.30292801    -17.40638158
  H     11.06784943      9.36621133    -12.29087224
  H     12.84489281     11.51929765    -17.88602920
  O     10.79123744     13.38162322    -14.13508123
  H     11.78381241     10.40391624    -11.40965701
  H     15.64442670      9.15024071    -10.67869220
  O     12.74099959     13.95240638    -12.27805078
  H     12.96229471      9.48775982    -13.26067770
  H     16.99902734      8.42198046    -10.70343016
  O     12.42036896     14.09075006    -16.38209650
  H     12.67402683     10.07633208    -14.66109998
  H     16.01219835      8.56102687    -15.59518018
  O     14.45432058     12.10155193    -13.26077680
  H     15.37363538     15.46578631    -12.16068547
  H     14.89722013      9.45447961    -15.01524865
  O     17.30251172     11.83569127    -15.38159039
  H     14.88393232     16.59307675    -11.22421742
  H     16.69915244     10.89734873    -11.39130687
  O     11.90352806     11.74539229    -17.99947051
  H     10.08379814      9.96624726    -14.21085630
  H     17.35306273     12.18302813    -12.03179949
  O     16.53368814      9.16638817    -11.07469474
  H      9.28240639     10.47410531    -13.00365370
  H      8.34734745     12.50662686    -11.63078677
  O     15.69078123      9.45907926    -15.57589941
  H     14.80408341     12.98604380    -14.76397256
  H      9.85058163     12.16773244    -11.52507207
  O     16.59683406     11.85019377    -11.53460711
  H     14.13461366     13.84585985    -15.87594415
  H     17.13469044     14.43468707    -13.39884612
  O      9.10102841     12.22151123    -12.14157737
  H     14.92119913     10.57252742    -16.94000137
  H     15.92244367     14.68263560    -14.31885730
  O     16.36943249     15.00766477    -13.52852475
  H     14.70289123     12.09077974    -16.88754502
  H     15.03203980     14.19791829    -10.18149790
  O     15.15396672     13.36356802     -9.71611816
  H     10.05723704     13.08865604    -13.58239484
  H     15.73223898     12.82914432    -10.27979878
          69
 Energy    -248.99205847211942     
  O     10.22779625      5.41458111    -13.52455600
  H     10.72565908      5.49642518    -14.34690919
  H     16.68915063      5.69818889     -9.98467943
  O     15.11611720      2.59145462    -10.16532465
  H     10.42771347      6.21316653    -13.01802927
  H     15.62869357      8.61284788    -13.30075682
  O     15.89037547      9.69622449    -11.87382988
  H     15.44241668      2.06614581     -9.43844404
  H     16.39940466      7.51326482    -14.07770300
  O     16.97147112      7.30284113     -9.29564211
  H     15.62705065      3.41934663    -10.16274148
  H     14.97483978      6.52912407    -12.98069931
  O     10.59063619     10.25978191    -11.62978017
  H     15.40225266      9.30607957    -11.13301816
  H     14.25428299      5.13914166    -12.95751348
  O     12.49890823      3.79766599     -9.95659625
  H     15.47111753     10.54050696    -12.08158671
  H     10.75357285      3.93986901    -12.75342029
  O     12.83540492      8.09547224    -14.52009221
  H     17.54487989      7.73968871     -9.93704934
  H     10.56635222      2.42535368    -12.49602109
  O     15.64206615      2.47854473    -12.99719971
  H     16.15056018      7.81326169     -9.27306492
  H     13.68187600     11.58522524    -12.99149366
  O     12.95618448     10.90700684    -10.13012819
  H      9.65999497     10.37180898    -11.45505965
  H     14.50817089     12.86377760    -12.71263201
  O     17.97793413      6.75882458    -13.69220309
  H     10.73458043      9.31071758    -11.78829693
  H     12.69031543      5.60351451    -10.06250938
  O     18.03958463      4.07625533    -12.61829966
  H     13.34068802      3.32818235     -9.99282648
  H     13.55274446      6.29624169    -11.12856430
  O     16.47105552      4.93573206    -10.53830106
  H     12.00898552      3.52396851    -10.74218379
  H     17.54340600      9.06755974    -11.64480335
  O     15.53039166      7.93083206    -13.98054673
  H     13.79948348      8.07211261    -14.42949507
  H     19.06071931      9.22089674    -11.39941450
  O     14.66624148      5.81669719    -12.40746955
  H     12.58874175      7.30505324    -15.01499763
  H     13.91922517      7.90280616     -9.82769194
  O     11.19303909      3.13960366    -12.41415365
  H     16.48427905      2.94755438    -13.02819110
  H     13.94334295      9.45177418     -9.69332893
  O     14.38196726     11.96286376    -12.42855771
  H     15.43881149      2.36236678    -12.06004729
  H     12.48488939      9.92963568    -14.19501521
  O     12.93031518      6.47465179    -10.40628571
  H     12.09828807     10.71877689    -10.53044517
  H     11.66200678     10.71163105    -13.14665345
  O     18.36439042      8.57303498    -11.47891806
  H     13.44374123     11.40623259    -10.79585908
  H     11.86001105      7.83588734    -12.97820481
  O     14.50498729      8.66262844     -9.70856085
  H     18.23888466      7.28364111    -12.92440650
  H     11.78409339      7.28001546    -11.51755303
  O     12.36082619     10.80517035    -13.80682705
  H     18.03840402      5.83426290    -13.42607045
  H     12.70854983      4.92606740    -15.11667938
  O     11.26751484      7.69050453    -12.22621760
  H     18.87123982      3.68768429    -12.35632032
  H     12.19575925      5.26830233    -16.53380475
  O     12.19189315      5.57110492    -15.62911900
  H     17.60052233      4.37407866    -11.80317710
  H     12.72117132      3.48022609    -13.41073650
  O     13.45946952      3.80636648    -13.94284011
  H     15.84014108      5.24712912    -11.20649310
  H     14.23103392      3.25514709    -13.74176773
          69
 Ord_Energy   -248.991989    
 O   -6.57661629      0.644025922       5.22498846    
 H   -7.53508759      0.741412044       5.25340271    
 H   -6.35733604      0.420686364       4.30770350    
 O   -11.7184610      -3.52396297       6.27492142    
 H   -12.6275740      -3.61015463       6.55152369    
 H   -11.7264709      -3.47896624       5.30313492    
 O   -7.49656153      -2.55594468       4.10450459    
 H   -7.50639105      -2.57599664       5.06923866    
 H   -7.35050154      -3.45782518       3.79296398    
 O   -9.94387913      -5.78342104       3.53774023    
 H   -10.4336843      -4.94883060       3.56719160    
 H   -10.0068808      -6.09458685       2.62648177    
 O   -6.97430086     -0.793018699      0.167784169    
 H   -7.88076878      -1.12493384      0.149045631    
 H   -6.41410589      -1.54343534      -6.41867891E-02
 O   -4.29043961      -2.57457852       2.37194467    
 H   -4.77756500      -1.74588287       2.49169493    
 H   -4.15481758      -2.91419744       3.26121616    
 O   -5.34785700      -3.19004154      -6.41499236E-02
 H   -4.64480019      -3.31219363     -0.696527243    
 H   -4.92273426      -3.04529595      0.800078332    
 O   -5.54791832      -5.54814529       5.34013176    
 H   -4.98046017      -4.76701403       5.34496355    
 H   -6.07832909      -5.51233101       6.14579868    
 O   -9.95749760      -1.34437931       6.88487387    
 H   -9.09861469      -1.77564025       6.99695063    
 H   -10.5962801      -2.05073547       6.73738813    
 O   -9.46074486      0.725317895       5.21553421    
 H   -9.97436714       1.49341631       5.45090294    
 H   -9.68656635       2.68029291E-02   5.85690069    
 O   -7.24650908      -5.17279720       3.25372744    
 H   -8.13441467      -5.47699213       3.48545003    
 H   -6.62604713      -5.44324827       3.94553947    
 O   -9.72056293      -1.26959836       3.22742534    
 H   -9.73510456     -0.463212878       3.75401855    
 H   -8.94199944      -1.76294911       3.53131628    
 O   -9.44892025      -2.16524601      0.579449892    
 H   -9.55716705      -1.77236962       1.45786440    
 H   -8.86732101      -2.93300986      0.674763799    
 O   -9.73144245      -5.57513428       6.34214258    
 H   -10.4099703      -4.89936399       6.46116972    
 H   -9.80134010      -5.84961414       5.41912746    
 O   -3.95237541      -3.17450142       5.21656179    
 H   -4.33495903      -2.41808271       5.68581104    
 H   -3.02367043      -3.18863297       5.44163275    
 O   -9.89522266      -6.15836334      0.714944065    
 H   -9.81552792      -6.88349581      0.100455239    
 H   -9.11576366      -5.59275866      0.581052661    
 O   -7.33538389      -5.28622055       7.54444027    
 H   -7.32372856      -5.79594374       8.34987450    
 H   -8.20310211      -5.44081163       7.12695360    
 O   -6.11908722     -0.520831525       2.77827072    
 H   -6.45195293     -0.463722646       1.87114882    
 H   -6.59491587      -1.24572980       3.21285534    
 O   -11.4488993      -3.39194512       3.56218338    
 H   -11.7312584      -3.58824015       2.65712309    
 H   -10.8989611      -2.59714890       3.50431919    
 O   -7.73065090      -4.44557905      0.682028532    
 H   -7.48210382      -4.72284698       1.57813954    
 H   -6.92985868      -4.08055973      0.286526620    
 O   -11.6929731      -3.90021825      0.878028154    
 H   -11.0574331      -3.22095442      0.612322271    
 H   -11.2481012      -4.73955631      0.712684989    
 O   -7.45448256      -2.57294846       6.91199112    
 H   -6.61796761      -2.10115075       7.00440979    
 H   -7.33506298      -3.48059821       7.21976185    
 O   -5.09701872      -1.05566788       6.68976688    
 H   -5.61110258     -0.411974400       6.16690207    
 H   -4.65868330     -0.558391154       7.37520552    
          69
 Ord_Energy   -248.991852    
 O  -0.538461566      -2.56792307     -0.540576756    
 H   -1.22362673      -1.90460753     -0.721850097    
 H  -0.268832356      -2.86659384      -1.41658890    
 O   -5.19645405       3.57007146      0.689780056    
 H   -5.04003859       4.01599216     -0.152176529    
 H   -5.48244381       2.67802286      0.455409020    
 O   -1.49763405       1.35285056       1.47729623    
 H   -2.24239206      0.738111138       1.41500735    
 H   -1.87442338       2.18114686       1.80127168    
 O   -2.54087925     -0.863437295      -1.32089186    
 H   -2.22426629      -8.16120505E-02  -1.79145038    
 H   -2.89711666      -1.46808112      -1.98392594    
 O   -5.59469509      0.966809452     -0.332951307    
 H   -4.95196009      0.522889495      0.238547206    
 H   -5.13091040       1.25104666      -1.13562024    
 O   -4.34207439       4.57918978      -1.85314286    
 H   -4.50947762       5.40354729      -2.30199099    
 H   -3.46348166       4.65980291      -1.43959153    
 O   -4.40188885       1.87646806      -2.69505548    
 H   -4.47501040       2.82419395      -2.52807355    
 H   -3.45703506       1.70283067      -2.82477379    
 O   0.693035960     -0.462833464      0.893146932    
 H   0.306101114      -1.27745211      0.544927776    
 H   -2.69662496E-02   7.19600394E-02   1.24874175    
 O   -2.85966396       3.76387000       2.07849431    
 H   -3.73247409       3.67019129       1.65647328    
 H   -2.99677086       4.25390196       2.88498116    
 O   -4.41132832      -2.91173100       1.97075665    
 H   -4.81222868      -3.24449372       2.76909876    
 H   -5.06488752      -3.02493024       1.25557041    
 O   -7.14136457     -0.976816118      -1.47577953    
 H   -8.05572510     -0.712936521      -1.54262280    
 H   -6.67513704     -0.257804990      -1.01530659    
 O   -4.26139069      -4.72411060      -1.81717467    
 H   -3.62719703      -4.65354204      -1.07958329    
 H   -4.38459635      -5.65383577      -1.98903263    
 O   -2.59223080      -4.32990980      0.270861298    
 H   -1.80288470      -3.80092907       9.82900709E-02
 H   -3.08831668      -3.87450051      0.962016344    
 O   -5.20988131     -0.731517375      -3.59840631    
 H   -5.93411732     -0.902582049      -2.98470974    
 H   -4.96720219      0.192146763      -3.45618963    
 O  -0.275961816       2.51880336     -0.764227390    
 H  -0.669475853       2.09061217       1.08108697E-02
 H   0.539860845       2.04413891     -0.962859631    
 O   -3.25141788      -2.62488413      -3.35881376    
 H   -3.95432281      -2.00079966      -3.59874773    
 H   -3.66068459      -3.38027287      -2.91580367    
 O  -0.484849989      -2.95655942      -3.38161540    
 H   -1.44659138      -2.84384465      -3.46375036    
 H  -0.229061916      -3.58811188      -4.04965687    
 O   -3.63292980     -0.376545429       1.08926535    
 H   -3.87596941      -1.20751321       1.51401806    
 H   -3.27424765     -0.598684132      0.213179007    
 O   0.384297967     -0.213492021      -3.57001090    
 H   0.187027574      -1.15542734      -3.51080728    
 H   0.961041152       3.59931006E-03  -2.82603645    
 O   -6.04065990      -3.22251606     -0.160092056    
 H   -5.56102896      -3.74141979     -0.817062795    
 H   -6.46537113      -2.49574614     -0.631987154    
 O   -1.72128797       1.33101332      -2.79882979    
 H   -1.26982749       1.86387539      -2.13012981    
 H   -1.03221428      0.824957073      -3.25438261    
 O   -1.99228072       4.70427275     -0.493846327    
 H   -2.21965408       4.53591394      0.428945512    
 H   -1.28299844       4.07938528     -0.694996953    
 O    1.84674644      0.704189241      -1.26282144    
 H    2.78700662      0.808684766      -1.14342797    
 H    1.51099408      0.251459330     -0.468294233    
          69
 Energy    -248.99153558566840     
  O     12.06924893      8.16169974    -14.57171056
  H     13.02340366      8.00713313    -14.47269212
  H     19.37540705      7.84701605    -16.78534954
  O     16.80860397      7.26539479    -12.61372189
  H     11.99595429      8.98590140    -15.06704984
  H     15.54869377     11.37113249    -16.05299333
  O     16.48823317     11.58976661    -14.31109213
  H     17.32501833      7.99492636    -12.98280085
  H     15.26947871     10.13436560    -16.92416132
  O     14.07534857      4.75181655    -13.48071589
  H     16.38358202      7.57533425    -11.80182557
  H     15.41171544      7.73632428    -13.75127422
  O     15.60024264     11.79929173    -10.09255783
  H     15.60596884     11.33367871    -14.00172977
  H     15.21647027      8.27638792    -15.20283346
  O     15.49213956      8.19050280    -10.37739561
  H     16.82687999     12.18164991    -13.62795038
  H     11.63620186      8.18636907    -12.80748593
  O     14.00462174     10.70015933    -13.51486362
  H     15.02291954      4.58391146    -13.46533489
  H     10.60079517      7.98605751    -11.68091903
  O     15.90940203      8.41724148    -16.91024561
  H     13.87151070      5.21200587    -12.65362727
  H     18.41626433     11.47832518    -11.61636866
  O     17.46566956      9.79991472     -9.21611601
  H     14.77589273     11.32492298    -10.25389148
  H     18.73482158     10.11656141    -12.25688497
  O     17.45797190      5.46526360    -16.02000501
  H     16.18511702     11.16970488     -9.65201269
  H     14.23700537      6.78487066    -10.77935884
  O     16.95369283      4.66082865    -13.37676928
  H     16.17699075      8.64080574     -9.86753066
  H     12.81351525      6.85757707    -11.35637721
  O     18.60070875      7.89209085    -16.23144109
  H     14.80335370      8.84759745    -10.55169536
  H     18.40147176      8.91085774    -14.68300158
  O     14.93435509     11.01582923    -16.70595927
  H     13.32594504     10.90208847    -14.16948827
  H     17.56829916     10.09909193    -14.10897305
  O     14.80969649      8.21782693    -14.32912357
  H     14.32477416      9.81053710    -13.74043376
  H     16.58925733     12.60276279    -11.31178378
  O     11.51669234      8.19934874    -11.84371878
  H     15.57184036      7.56579247    -17.22070612
  H     17.38597655     13.86378062    -11.71760939
  O     18.80342782     10.61322459    -11.43131887
  H     16.86094131      8.31784690    -16.78002411
  H     14.78379063      5.35670115    -18.24578072
  O     13.54873343      6.25414605    -11.19714252
  H     18.01405916     10.03461138     -9.98651210
  H     14.23212778      5.76476737    -16.86059462
  O     18.14033475      9.35635395    -13.86785726
  H     18.04884553      9.75777544     -8.46342294
  H     13.67375644     10.40191456    -11.81308314
  O     17.23507233     12.95191624    -11.95195635
  H     16.61258935      5.45811620    -16.48544699
  H     12.71383994      9.49191452    -11.04101983
  O     15.00362318      5.83649499    -17.45204375
  H     17.29992329      5.08174894    -15.14785233
  H     11.79040166     11.36869431    -16.25583907
  O     13.48023257     10.06515812    -10.92367212
  H     16.94517544      5.57453627    -13.04044851
  H     13.24895578     10.86111005    -16.21109155
  O     12.36924772     10.76074011    -15.80393632
  H     17.41277324      4.13215785    -12.72925210
  H     13.28092499      5.28809231    -14.95996156
  O     12.91475957      5.67685129    -15.77227499
  H     18.27247965      6.97938237    -16.12831659
  H     12.37978364      6.42518735    -15.49236286
          69
 Energy    -248.99101163347564     
  O     -5.70517736      8.21710718     -7.63912505
  H     -6.09156302      7.34273320     -7.51683129
  H     -9.53574066     11.87960215    -10.08166583
  O     -7.01196745      9.99034892    -12.99724792
  H     -5.25063651      8.18102036     -8.49685390
  H     -7.04484189     13.28605798    -11.31567395
  O     -4.30066744      8.07483930    -10.00485411
  H     -7.34673580     10.88856227    -13.10044487
  H     -7.34523904     13.40147198     -9.81391110
  O     -6.08943592      5.38611268    -12.58943625
  H     -7.42886331      9.63484119    -12.19676245
  H     -3.49457040      9.19508768    -13.16914125
  O     -1.78767793      6.84067590     -7.30464697
  H     -3.37380084      8.25677487     -9.80222061
  H     -2.55947346      7.97796373    -13.22876460
  O     -6.45059487      5.52002225     -7.81185272
  H     -4.32050897      7.17853748    -10.36360679
  H     -8.00095712     11.85454751     -8.43808072
  O     -1.55305480      8.47112745     -9.56800135
  H     -6.48754418      4.71248900    -13.13367618
  H     -8.90119253     12.87159927     -7.69933240
  O     -8.12121806     12.58749093    -12.77304419
  H     -6.02481978      6.18936502    -13.13926669
  H     -3.01326160      9.71989046     -7.05475524
  O     -4.49886066     10.11754204    -11.85952320
  H     -2.31082969      7.56447680     -6.91366368
  H     -4.17039367      8.73501781     -6.76086367
  O     -5.81659507      7.62281177    -14.02880034
  H     -1.18877625      6.53502326     -6.62832024
  H     -3.12773974      5.58905518     -7.94618968
  O     -2.39090600     10.94178285     -8.42555384
  H     -5.51488245      5.28274097     -7.94241682
  H     -3.75247090      5.06806816     -9.26117621
  O     -9.74099322     11.43591238    -10.91436315
  H     -6.83974553      4.82854374     -7.28366979
  H     -7.04250485      6.05435542    -11.06307337
  O     -6.64795997     13.52618933    -10.46922876
  H     -1.50392908      7.88096496     -8.80168954
  H     -7.16194215      6.08967442     -9.51615103
  O     -3.17877409      8.49390521    -13.75578821
  H     -1.69678194      9.36660779     -9.23519482
  H     -0.63047734      6.72354124    -12.17519668
  O     -8.61175984     12.60121443     -8.56664403
  H     -8.59887315     13.12200485    -13.40197882
  H     -1.43302584      7.55034069    -11.14794128
  O     -3.26129137      8.95921430     -6.51603663
  H     -8.78265069     12.21222780    -12.16350223
  H     -3.03841952      5.89040116    -11.50001867
  O     -3.82807600      5.02805982     -8.29672482
  H     -4.51771464      9.35226408    -11.26567233
  H     -4.52137126      5.39027635    -11.66408704
  O     -7.47782408      6.50168879    -10.32809597
  H     -5.35289940     10.13657727    -12.31455569
  H     -6.48340570      9.77415300     -8.05768087
  O     -1.51611831      6.98311156    -11.93114074
  H     -6.31299133      8.42402106    -13.82297673
  H     -5.99936840     10.98219582     -8.91720617
  O     -3.79853107      5.52032235    -11.03497647
  H     -4.88400425      7.88023934    -14.06674828
  H     -5.20318418     12.57090709     -9.99003177
  O     -6.77794078     10.57233900     -8.51649274
  H     -1.84412426     11.68404519     -8.17825884
  H     -4.49679095     11.31464835    -10.56880986
  O     -4.59024280     11.85471659     -9.76853647
  H     -3.16725849     11.31471632     -8.87686745
  H     -7.63847147      9.60759790     -9.89514748
  O     -8.11062773      9.15547079    -10.60497399
  H     -9.37308888     10.54487738    -10.83213129
  H     -7.95748770      8.20551732    -10.49503101
          69
 Energy    -248.99098750915772     
  O     10.06530567      6.43113480    -12.83443480
  H     10.45761540      5.74325134    -13.38559561
  H     15.95640585      6.78675304     -9.35263998
  O     13.01351328      5.30532483     -8.16888344
  H     10.48549430      7.25444967    -13.10573912
  H     16.08923955      4.98498195    -13.99079999
  O     16.69507895      8.25381953    -13.68691739
  H     12.51037715      6.12876049     -8.20723168
  H     16.07500468      6.55318035    -13.84888143
  O     17.07299103      3.45039149    -13.87638303
  H     13.91736732      5.52939779     -8.42206285
  H     13.48902377      4.96002469    -11.71268855
  O     16.72356559      8.47502556     -9.74872144
  H     16.19794059      8.67987433    -12.97639572
  H     14.61299810      5.77141269    -12.39669314
  O     13.59396786     10.72985953    -13.85068995
  H     16.24180239      8.50706332    -14.50474845
  H     10.36345745      4.97239116    -10.02854381
  O     11.37686825      7.59104589     -8.66559262
  H     17.66179491      3.74780646    -13.15700080
  H      9.94384518      6.03622778    -11.08335603
  O     13.16907764      6.64928271    -15.04327615
  H     17.61713962      2.99161562    -14.50978350
  H     12.39703922      8.04046255    -10.12424152
  O     15.21598290      2.47711046    -11.90965345
  H     17.08646259      9.13101995     -9.15771221
  H     13.24346793      7.23864329    -11.16175291
  O     18.47898100      4.33515122    -11.77869021
  H     16.19385020      8.95774155    -10.40357047
  H     17.98830073      7.51678730    -12.49951088
  O     16.73458847      3.48016054     -9.66808576
  H     12.89913797     10.05669489    -13.74712758
  H     17.93204007      7.53773861    -10.96900066
  O     15.52629131      5.92484857     -9.32650856
  H     13.15279995     11.55012254    -14.05652994
  H     14.73423300     10.15147665    -12.39394811
  O     15.52285115      5.76188865    -13.91384294
  H     10.81920956      8.10152755     -8.08578591
  H     14.33691158      9.08245990    -11.36421853
  O     14.03976761      5.74576402    -11.61814957
  H     10.79073342      6.99890904     -9.17527489
  H     14.46992914      9.62951933    -15.19877638
  O      9.97581081      5.84755632    -10.13337275
  H     12.55355811      5.91131874    -14.95743624
  H     14.26068464      8.18915489    -15.69926081
  O     12.91567787      8.12253239    -10.93236493
  H     14.01586961      6.31200475    -14.71411554
  H     12.09692165      4.07641128     -9.01965522
  O     18.36191838      7.10083272    -11.71194829
  H     15.79970943      2.69424910    -12.64663466
  H     11.21200074      2.81056391     -8.94150954
  O     15.09829307      9.57232561    -11.71403706
  H     15.69811911      2.73193507    -11.11364739
  H     12.35226267      7.92385265    -14.02031689
  O     14.89876412      8.91276581    -15.68277097
  H     18.51199072      5.30266777    -11.73416209
  H     12.17604424      8.43054013    -12.55399549
  O     11.53549135      3.47660433     -9.54264107
  H     18.01065804      4.03521353    -10.99136937
  H     11.90517988      4.02165457    -13.56899727
  O     11.90944887      8.58976072    -13.47216490
  H     16.92997998      3.06155248     -8.83333446
  H     11.10339389      3.76562854    -14.86458576
  O     11.49537554      4.45653547    -14.33610198
  H     16.34715304      4.34659643     -9.46194786
  H     13.52099783      2.95242187    -12.04591196
  O     12.64858034      3.37626335    -12.09128146
  H     15.02632198      5.84107906    -10.15479845
  H     12.22262136      3.29173331    -11.22825342
          69
 Energy    -248.99095252939196     
  O     12.28405151      9.64647830    -10.52456658
  H     13.03336419      9.15753807    -10.88836673
  H     14.54439642     11.05161768    -13.14513393
  O     12.14547753      6.70420441    -13.00122511
  H     12.53357741      9.96881848     -9.64870821
  H     13.95075137     14.27070855     -7.57093484
  O     11.71133377     11.90808593    -11.86167205
  H     12.10540138      5.94459397    -13.57600607
  H     13.43240647     15.07514426     -6.35727776
  O     13.16543135     10.70495601     -8.12620423
  H     12.04799325      7.49226968    -13.56666422
  H     10.71480999     12.70940599    -10.56299096
  O     15.65052194      8.52096285     -9.37353614
  H     11.80837233     11.05823679    -11.40025507
  H      9.38073286     12.57336946     -9.78910408
  O     14.28819620     15.05486252    -11.14256344
  H     12.61139886     12.23616256    -11.96664809
  H     10.45160970      8.49592011     -7.82929206
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  H     13.26609806      9.87057726     -7.64930065
  H     10.68040062      7.46136689     -8.95399114
  O     14.47367821     12.39528088    -11.96734652
  H     12.47373506     11.24021913     -7.72017451
  H      9.03690040     10.42875187     -8.24113099
  O     15.28951052     13.93501462     -8.66750075
  H     15.00410371      8.28138050     -8.69924836
  H     10.11379560     10.87693795     -7.24767733
  O     10.45263145      7.63635328    -10.88284883
  H     15.27038683      8.23629352    -10.21542245
  H     13.70383962      7.58366290     -6.54843660
  O     12.03893785     15.21634882     -9.63560543
  H     14.49392919     15.91628217    -11.49560499
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  H     13.44336063     15.14238134    -10.66499147
  H     14.56589881     11.21638810     -9.05744429
  O     13.14789902     14.52504475     -7.08240047
  H      9.14039542      8.82119284    -11.43532775
  H     15.72235773     10.37929569     -9.58258666
  O     10.19630711     13.08859879     -9.83941249
  H      9.02658661      9.96173046    -12.47646690
  H     12.86401598      9.51777936    -14.25725987
  O     10.95128196      7.69784480     -8.06027123
  H     14.48400850     13.34736612    -11.80766052
  H     11.32302270      9.63677516    -14.29003825
  O      9.63521920     10.10012292     -7.55977077
  H     14.81287142     11.97313539    -11.16221484
  H      9.64770995     11.60482009    -14.32919320
  O     13.53107737      8.06559155     -7.35277902
  H     15.50697983     13.02445160     -8.90645061
  H     10.62147148     11.37774543    -13.14759117
  O     15.36757749     11.27747079     -9.60148610
  H     15.10128174     14.38407860     -9.50009718
  H      7.11047389     11.35431409     -9.56003753
  O     12.05341310      9.01766630    -14.41139599
  H     11.03374041      8.38804901    -10.67896374
  H      8.21455161     10.66477491    -10.39613286
  O     10.05212752     10.92615494    -13.79436116
  H     10.91229448      7.14302710    -11.57120587
  H     14.47271073      8.79775805    -12.49449568
  O      8.05595826     11.28628903     -9.66315362
  H     11.29239252     14.61294096     -9.74178659
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  O     14.27375094      8.14603218    -11.80990534
  H     12.33766941     15.10695408     -8.72404114
  H     10.85183018     12.70310320     -8.15924266
  O     11.22037433     12.47287102     -7.29323929
  H     15.28534089     10.36740252    -14.31234112
  H     11.83679921     13.18106233     -7.06767679
          69
 Energy    -248.99089141746407     
  O     -7.07219133      2.60936646     -1.03549559
  H     -6.24587350      2.85011373     -1.46613881
  H     -6.02186365      0.03205200      3.01645863
  O     -4.68102941      2.66942349     -2.82212500
  H     -7.00511235      2.86904804     -0.10762601
  H     -4.11882670      0.11327735      4.15491094
  O     -7.05308007      3.01905755      1.76740730
  H     -4.83357599      1.71614769     -2.70440703
  H     -4.79631171     -0.99698543      4.99817880
  O     -3.39626063     -1.82848836      1.88851996
  H     -4.94365741      2.87935308     -3.71579959
  H     -0.00305353      1.94846088      2.19994610
  O     -1.30971485     -0.35431063     -1.57520884
  H     -7.81098855      3.35991281      2.23693406
  H     -0.86837610      0.67316088      2.07784799
  O     -5.17645351      0.05802936     -2.13365370
  H     -6.95697602      2.08672896      2.03000339
  H     -2.05275402      2.35741431      1.39119462
  O     -4.97177918     -3.24800946      0.05267889
  H     -3.96641151     -2.42594753      1.38763441
  H     -3.36358011      1.89867562      0.70225462
  O     -3.48106726     -2.12067081     -1.90758081
  H     -3.85893373     -1.56148527      2.69362870
  H      1.85005538      0.55466477      0.96123992
  O     -2.02965010      2.36835617     -1.80981301
  H     -1.61328829      0.55586443     -1.69522201
  H      0.94879425     -0.69422737      0.95052523
  O     -0.92164103     -0.87824958      1.14451341
  H     -0.38792307     -0.37929458     -1.86255143
  H      2.15720090      3.13293246      1.42059319
  O      1.45933337     -0.16699170     -2.03786136
  H     -4.87542337      0.18257281     -1.21848020
  H      1.24459132      2.56315937      0.30979983
  O     -6.57572766      0.39677514      2.31507713
  H     -6.13497172     -0.04949723     -2.09377184
  H     -8.73651558      0.12481020     -2.12009550
  O     -4.68956311     -0.67787754      4.10658865
  H     -4.41540171     -2.90669499     -0.67090969
  H     -7.70278324      1.01847322     -1.39208670
  O     -0.83736402      1.55350622      2.48142279
  H     -5.05434454     -4.18809226     -0.08569596
  H     -3.64426378      2.29573721      3.78987427
  O     -2.75511034      2.64778727      0.79266656
  H     -4.10764632     -1.44401610     -2.19983176
  H     -2.29535966      1.54180227      3.71086915
  O      1.80481726     -0.35831467      0.65043464
  H     -2.64179170     -1.65113792     -1.81867385
  H     -6.54140106     -2.16266276      0.34876372
  O      1.52302041      2.44552021      1.23561474
  H     -2.22615993      2.57272912     -0.88132116
  H     -7.54591275     -1.11345304     -0.20280535
  O     -7.92063052      0.09796287     -1.62775108
  H     -2.83799052      2.57348984     -2.29079266
  H     -3.91764274     -0.32347710      0.87982286
  O     -3.17098094      1.51577073      4.11474193
  H     -1.08842613     -0.69480420      0.20878655
  H     -5.18432210      0.52811748      1.06494094
  O     -7.27468541     -1.58569237      0.59445032
  H     -1.69743958     -1.34671319      1.47902847
  H     -3.85889640      3.50721838      2.06364130
  O     -4.39857702      0.42893474      0.51248277
  H      1.67864913     -0.30150869     -1.09795930
  H     -5.33755944      3.54685415      2.48236830
  O     -4.44149782      3.63629719      2.82456660
  H      2.13760643     -0.60249040     -2.54608812
  H     -0.16740368      2.61487009     -1.62567212
  O      0.76461053      2.54282963     -1.38227878
  H     -6.92116831     -0.34377411      1.79168912
  H      1.06821472      1.70257018     -1.74756042
          69
 Energy    -248.99073486322860     
  O     13.71117947     13.12712361    -10.94946133
  H     13.91799644     13.57705046    -11.78242907
  H     13.18257695     14.71873742    -16.01642094
  O     12.19347940     11.73240974    -15.54002361
  H     12.80544319     13.37514112    -10.72881560
  H     16.05318944     11.75327198    -17.10024072
  O     13.53881931     10.36258534    -11.25907254
  H     12.77208362     11.22660641    -14.94975008
  H     17.26077696     10.96978422    -16.50045078
  O     18.26038211     12.34772373    -12.61870923
  H     11.29726623     11.61258639    -15.20386927
  H     13.78343427     14.55080021    -13.92047090
  O     10.97529764     13.68054496    -10.77079621
  H     13.58799794     11.32461288    -11.14797663
  H     15.00768811     13.64814864    -13.63721981
  O     10.78905771     10.95868008    -11.67293496
  H     14.40098416     10.02135571    -10.99184282
  H     15.42861093     14.78456516    -16.92209724
  O     13.96326128     10.30574848    -13.99842865
  H     17.73909842     12.54512021    -11.82651127
  H     14.56310998     15.36442496    -18.06166846
  O     16.65468189     15.28989967    -11.80716712
  H     18.49053228     13.18923920    -13.03163636
  H     16.70131151     12.17142853    -13.59345493
  O      9.78560073     11.54492527    -14.12927360
  H     10.41200998     14.20646236    -10.20971708
  H     16.24554064     12.18710944    -15.07205851
  O     17.05877590     14.59972042    -16.29653070
  H     10.80625707     13.96585079    -11.68701278
  H     18.14356903     10.50486851    -12.87597888
  O     17.45027825      9.21944566    -15.79705091
  H     10.78730442     11.81915919    -11.23440438
  H     17.62733340      9.45278899    -13.88237149
  O     12.58388445     14.48143592    -15.29778827
  H     11.65150413     10.56819567    -11.48554507
  H     14.31457202     12.85003454    -17.57544523
  O     16.94959892     11.84981089    -16.74610806
  H     14.69502103     10.94118372    -14.02585778
  H     13.45034893     11.78322360    -16.89772603
  O     14.47637997     14.37344098    -13.27436267
  H     13.73681059     10.19379705    -13.06822821
  H     16.73670188      9.62957318    -11.50192169
  O     14.54408364     14.75520121    -17.32769808
  H     16.67729485     14.58508255    -11.15205581
  H     16.59428528      9.12141844    -10.05090543
  O     15.92392029     12.21836189    -14.16296020
  H     15.83376125     15.15352802    -12.30401624
  H     14.42689024      9.39611142    -15.53146500
  O     17.74163266      9.62695199    -12.94172941
  H      8.94217153     11.11908413    -14.25567934
  H     14.54292011      9.89629191    -16.97992923
  O     14.22967799     11.89459945    -17.46085406
  H     10.12505171     11.24749609    -13.26571361
  H     16.44319899     11.66423915    -10.41364510
  O     16.24534604      9.75682025    -10.67117478
  H     17.23685025     13.68054082    -16.54150373
  H     15.49423718     12.86004351    -10.53109243
  O     14.80118707      9.17470978    -16.39763485
  H     17.51608480     14.74948105    -15.46187813
  H     10.13294030     13.39497478    -13.71490320
  O     16.43299239     12.62643988    -10.49885028
  H     16.51135926      9.08967074    -16.02050945
  H     11.14199632     14.51267143    -14.04259616
  O     10.49187269     14.22979404    -13.38782404
  H     17.93166721      8.50714079    -16.21090763
  H     17.85160771     15.16812206    -13.08258188
  O     18.47671568     14.92707919    -13.78932263
  H     12.43731686     13.52633680    -15.37879107
  H     19.19463625     15.55406290    -13.74605103
          69
 Energy    -248.99073323504911     
  O     14.43701322      9.84358345    -10.72967246
  H     14.26674224     10.37729377    -11.51825523
  H     13.41056361      8.53075114     -9.97150255
  O     12.94645974     10.23043798    -16.50682841
  H     15.26763062     10.14301078    -10.33883637
  H     18.62812368      7.82342480    -13.42055588
  O     16.78276673     10.61788814    -13.98517734
  H     12.98275958     11.12119088    -16.13605527
  H     18.09732248      7.55932372    -14.83794141
  O     13.70437819      4.79476358    -12.36814740
  H     12.68047475      9.65261844    -15.78107018
  H     14.44357005     12.69019325    -15.62285628
  O     16.94571414      8.07842513     -8.25412254
  H     17.30961979     10.24104901    -13.27195942
  H     13.25883917     13.65752641    -15.37528994
  O     16.04122806     12.24007979    -16.19224851
  H     15.86934541     10.67542815    -13.66964797
  H     12.24506925      8.11617754    -13.47013489
  O     15.62553922      7.71379604    -12.14298213
  H     14.45759143      4.83953397    -11.76914256
  H     13.41334996      8.10511941    -14.47037643
  O     14.07520985     10.88240003    -13.24151496
  H     14.06950661      4.54517720    -13.22621916
  H     15.18041233      9.91946302    -18.75952424
  O     18.00369963      9.04912198    -11.93008757
  H     16.19759532      7.47420972     -8.19615788
  H     14.45201364      9.99748108    -17.39711692
  O     17.32933537      4.70111284    -13.35725712
  H     17.62961950      7.60056634     -8.74681925
  H     10.97028079      6.35152128    -12.15477504
  O     15.10667588      4.38379870    -14.81325469
  H     15.91825690     11.54955524    -16.85582033
  H     12.48097008      6.05106499    -12.27180260
  O     13.01269129      7.67921308     -9.74212337
  H     16.48606683     11.81313429    -15.44794641
  H     14.42377519      5.69456414     -7.71783839
  O     18.51222488      7.13057788    -14.07867598
  H     15.06552797      8.36757702    -11.70673816
  H     14.13206359      6.67484690     -8.88045610
  O     13.54113296     12.75453471    -15.26112704
  H     15.29312973      7.53238757    -13.03102041
  H     15.74227453      5.48910619     -9.94733594
  O     12.68308357      8.65340481    -14.13985293
  H     13.55572596     10.11988351    -13.53803004
  H     15.94658245      6.22080554    -11.29522666
  O     15.32916439      9.97260924    -17.81918743
  H     13.82873351     11.62396169    -13.80710525
  H     18.63783824      7.45253200    -10.76175007
  O     11.82827912      6.76858701    -12.18489048
  H     17.19622650      8.52246628    -12.06050185
  H     17.90676092      6.16087647    -10.35944482
  O     14.82885595      6.14252575     -8.45553642
  H     17.83511769      9.58769894    -11.14600980
  H     15.57332550      7.58526898    -15.24592400
  O     16.12761416      5.38717145    -10.82746399
  H     17.06964567      4.78130396    -12.43293488
  H     14.91368551      6.20425624    -14.89975685
  O     18.59356929      6.77685823    -10.07722886
  H     17.81732757      5.50568340    -13.58831900
  H     16.95901410      9.58740808     -9.06672596
  O     14.84441965      7.15859265    -14.77566090
  H     15.95936609      4.42347719    -14.33961689
  H     17.30936893     11.09627476     -9.10151997
  O     16.98844388     10.37737190     -9.63894509
  H     15.16942992      3.67087240    -15.44181963
  H     16.45471899      8.98613488    -16.69742553
  O     16.88545496      8.61600294    -15.91666991
  H     12.53594461      7.38849468    -10.52801811
  H     16.89405283      9.32764736    -15.25870598
          69
 Ord_Energy   -248.990677    
 O   -1.37365758       5.03745489E-02   2.60437392E-02
 H  -0.780029476     -0.608097911     -0.367054790    
 H   -2.25445962     -0.215354323     -0.257827699    
 O   0.384481579       2.75601482      -3.64026999    
 H    1.14805782       3.34421182      -3.57546759    
 H  -0.131077364       2.82084274      -2.82544947    
 O    3.85249925      -2.22422171      -3.01329565    
 H    4.41789675      -1.44239700      -3.01265836    
 H    3.22350526      -2.08800745      -3.73231196    
 O    2.65599442      -2.53105068     -0.514396250    
 H    1.72382104      -2.43258500     -0.750159025    
 H    3.14013314      -2.51074672      -1.35258245    
 O   -2.91669703       1.25256324      -3.15118337    
 H   -2.39693308       1.84021878      -2.59115982    
 H   -3.21930790      0.536322832      -2.57956266    
 O    3.44002509       1.06737709      -1.00559473    
 H    4.17823315      0.751630068      -1.54334617    
 H    3.38534856      0.526693523     -0.207617894    
 O   0.111950211      -1.78056097      -1.36403525    
 H  -0.555431247      -2.23553705      -1.88795066    
 H   0.498319119      -1.07714605      -1.91062427    
 O   0.475910902       3.70811915      0.727807283    
 H   0.263273865       4.28376102       1.45742404    
 H   0.597028136       2.81569886       1.10170853    
 O   -2.32421827      0.421416521      -5.67526388    
 H   -3.12992811      0.476197451      -6.18252563    
 H   -2.53096461      0.762870193      -4.78726435    
 O    2.79299307       3.75642157     -0.920041919    
 H    3.07054162       2.82892632     -0.884926975    
 H    2.02598929       3.83005905     -0.341009527    
 O    5.31532764      0.247011155      -2.89625025    
 H    6.25952101      0.327624470      -2.99892116    
 H    4.90887642      0.836365342      -3.55816245    
 O   -1.10956037       2.54280019      -1.30516779    
 H  -0.660945237       3.10017610     -0.657497883    
 H   -1.15486479       1.66725242     -0.895579815    
 O  -0.896999240      -1.92326975      -4.96685362    
 H   -1.33088601      -1.12452793      -5.29146004    
 H    5.61523400E-02  -1.77366877      -5.01246023    
 O    2.49666476      0.765495181      -6.69686651    
 H    1.61088836       1.15785611      -6.58739471    
 H    2.68709159      0.769757271      -7.63076687    
 O   -2.08233571      -2.90278888      -2.79638314    
 H   -1.68319893      -2.57590914      -3.62492609    
 H   -2.13834763      -3.85147595      -2.87346721    
 O    2.98413682     -0.532450378       1.23822367    
 H    2.88264942      -1.30913115      0.656874478    
 H    3.53168750     -0.806274295       1.96881890    
 O    1.85770786      -1.30072892      -4.86501455    
 H    1.71495008     -0.726221025      -4.09633303    
 H    2.14427590     -0.717182636      -5.57771969    
 O    6.96678907E-02   1.81772971      -6.21270037    
 H  -0.764245868       1.33567655      -6.17734098    
 H   0.150441140       2.23998117      -5.34481001    
 O    1.32389224      0.302119166      -2.67816901    
 H   0.966918290       1.11618078      -3.05272985    
 H    2.05442309      0.552040637      -2.09715629    
 O    2.76983786       4.21092319      -3.55257368    
 H    2.83482742       4.12278366      -2.58328867    
 H    2.98231626       5.11534119      -3.76518965    
 O   0.685094774       1.15890718       1.60751748    
 H   -7.32917488E-02  0.709917426       1.21085036    
 H    1.43727863      0.561136365       1.52551877    
 O    4.09112883       1.90187681      -4.63598967    
 H    3.65619755       2.70374751      -4.32346201    
 H    3.56350708       1.55730736      -5.36698484    
 O   -3.59064651     -0.965641618      -1.47656548    
 H   -3.11031055      -1.67347538      -1.93634474    
 H   -4.46022701      -1.30577803      -1.28023696    
          69
 Energy    -248.99044466337847     
  O     18.15030317     10.21043009    -15.14991319
  H     18.51083953      9.39926162    -15.53010875
  H     14.59922315      9.51111065    -14.05724943
  O     16.51966090      7.84075204     -9.52970725
  H     17.20212469     10.18832503    -15.32604225
  H     18.37335513      6.84732820    -12.96117266
  O     12.73735411      9.16830256    -10.84074615
  H     15.75041248      8.17869501     -9.05439898
  H     17.27512517      7.94825308    -12.81288595
  O     15.33440657      9.84708219    -15.74757350
  H     16.22719492      7.03336405     -9.97781935
  H     14.40437432      6.05308892    -13.65029422
  O     11.68917100      6.55114882    -11.33975197
  H     12.23060701      8.36173915    -10.99901017
  H     14.04179331      7.46190599    -13.08936065
  O     19.81107122      4.76272358    -10.35421779
  H     13.22233989      9.34179209    -11.65756538
  H     19.67971932      7.79562781     -9.89719055
  O     15.41139626      5.59905052    -10.78121914
  H     15.51532540      8.96896126    -16.12777047
  H     18.31748097      7.43562612     -9.24828378
  O     20.10535080      6.25901524    -12.71383715
  H     14.92361267     10.36339718    -16.43667651
  H     18.27772813      7.51296589    -14.95840753
  O     17.47283200      3.93716119    -11.70109549
  H     12.40895836      6.44229675    -11.98546375
  H     19.22346877      6.70083188    -15.84073445
  O     17.67739452      3.35125669    -14.30153106
  H     10.90292585      6.19123690    -11.74163977
  H     13.73938254      9.25949457     -7.82142560
  O     19.83169009      4.89080162    -15.19815737
  H     20.40327814      4.28705237     -9.77909833
  H     13.58521793      8.92587536     -9.32411069
  O     14.38792236      9.23966833    -13.15645156
  H     19.59658517      5.60145436     -9.90346211
  H     20.01506373      9.43011797    -11.78924472
  O     17.54396833      7.17973081    -13.32943658
  H     14.95324951      5.91885809    -11.56840019
  H     20.44335689      7.94976456    -11.91118296
  O     13.87011974      6.51378751    -12.99021577
  H     14.73484885      5.53500112    -10.09072896
  H     19.28334736     11.71379250    -12.59464195
  O     19.24098399      7.16273137     -9.30897186
  H     20.17390089      5.74760856    -13.52785755
  H     18.73378387     10.63365767    -13.55607768
  O     18.72048417      7.52037700    -15.82312313
  H     20.09678061      5.64389208    -11.96790176
  H     16.39180740      6.09826509    -14.12987910
  O     14.04162259      8.66633152     -8.50382917
  H     16.74505601      4.46587347    -11.34717307
  H     16.29739015      4.65384859    -14.64706429
  O     20.41197587      8.69954994    -11.30227788
  H     18.24894710      4.14378139    -11.16679516
  H     17.00412505      7.43909685    -16.63366592
  O     18.98803344     10.80797775    -12.63256647
  H     17.60859497      3.54269007    -13.34615929
  H     15.79658983      6.66268504    -16.10855422
  O     15.81759414      5.48734085    -14.62309560
  H     17.47050563      2.42696073    -14.41009959
  H     12.62682896      6.05934011     -9.72071288
  O     16.03963583      7.39810212    -16.68567526
  H     19.07796735      4.33589839    -14.94048009
  H     13.50568998      6.79705840     -8.69718491
  O     13.29874222      5.91908825     -9.04100971
  H     20.43532326      4.32672267    -15.67609625
  H     16.76738470      8.94885881    -10.93362909
  O     16.74348560      9.37195193    -11.80313104
  H     15.20136042      9.35997881    -12.64128823
  H     17.51417667      9.94166736    -11.91189618
          69
 Energy    -248.99021921458296     
  O     -3.62813903     -0.23370541      3.57615795
  H     -3.16101575      0.56114582      3.86160843
  H     -3.63570368      1.54279363     -1.64029959
  O     -1.06540056      3.64975864      2.13548962
  H     -2.95318455     -0.82081920      3.20851000
  H     -6.13260215      3.89440744     -0.25616305
  O     -1.52396610     -1.56459502      2.37122204
  H     -0.60360052      4.46670554      2.30644477
  H     -6.26127412      5.40067865      0.07291992
  O     -4.67406117     -1.35412461     -2.36193664
  H     -1.77186072      3.85976626      1.49936958
  H     -0.03538965      2.14170894      1.56141013
  O     -2.26719579     -2.59168407     -1.43786936
  H     -1.43664183     -1.10098217      1.52451936
  H     -0.02476136      0.78346142      0.81331373
  O     -4.68290465      0.82002118      1.25012910
  H     -0.87238816     -1.17195892      2.96414646
  H     -4.62568299      3.17105423      5.62796654
  O     -6.04294665      2.89127829      2.52711707
  H     -5.24113914     -1.37244459     -1.57794695
  H     -3.49845744      2.86273122      4.63438889
  O     -8.45191700      0.56621669     -0.07002605
  H     -3.84735569     -1.78201819     -2.11069398
  H     -3.90569760      4.39773385      0.34770191
  O     -4.89164747      1.25458993     -2.98425415
  H     -1.80771155     -3.28621485     -1.90255378
  H     -2.96074383      3.30802232     -0.19247946
  O     -6.21153626     -1.08470103     -0.04687797
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  H     -6.18401898     -1.96153149      3.09877505
  O     -5.82529591     -3.21118659      1.63876961
  H     -5.21132737      1.54766026      1.60430675
  H     -5.40313603     -0.84467106      3.79608418
  O     -3.11272177      1.61241555     -0.83335253
  H     -4.28350707      0.38839398      2.01603062
  H     -1.22090930      1.34075463      4.27941005
  O     -5.79587040      4.60593129      0.31906142
  H     -5.47569044      3.09882625      3.28264151
  H     -1.69383146      2.56544651      3.47174811
  O      0.44086199      1.30571758      1.47996608
  H     -5.97673697      3.60983644      1.88696869
  H      1.03981377     -0.04295637      4.32062492
  O     -4.37022644      3.27666857      4.71359041
  H     -9.39148088      0.51093989     -0.21779655
  H      0.39514715      0.53679679      3.03587489
  O     -2.98075867      4.12961039      0.31903740
  H     -8.32232852      0.66142612      0.89314808
  H     -7.37942795      1.61220069      2.64601064
  O     -6.29751810     -1.18099717      3.65254216
  H     -4.82944159      0.29197547     -2.84500474
  H     -7.42939181      0.10182829      2.97434668
  O     -1.95236635      1.96288523      4.18441419
  H     -4.82002449      1.40348941     -3.92301380
  H     -2.53362794     -2.95979650      1.61183315
  O      0.20251503      0.10823762      3.89092835
  H     -5.65655124     -0.43921796      0.41758301
  H     -3.97774653     -3.43473720      1.29265373
  O     -7.91968396      0.81729655      2.54434594
  H     -7.06833570     -0.65560801     -0.16144767
  H     -1.47059548     -1.06857666     -0.66292484
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  H     -6.45286116     -3.91185958      1.47679333
  H     -1.85545571      0.40546682     -0.41177530
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  H     -7.32497036      1.89357059     -0.84626690
  O     -6.70417786      2.54867433     -1.18684440
  H     -3.68894919      1.34411821     -0.09829632
  H     -6.14666285      2.09831078     -1.83260429
          69
 Energy    -248.98972949320961     
  O     -4.63049295     -6.21551319     -2.54572350
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  H     -7.41805071     -1.11307295     -1.94832175
  O     -6.22780187     -0.49113238     -4.89883997
  H     -3.93440341     -5.81611589     -1.99977703
  H     -6.46443350      0.16006335      0.12535726
  O     -3.25553359     -1.74665137     -2.67725689
  H     -6.85945566     -0.53057455     -5.62925617
  H     -5.75853271      0.00973723     -1.24406311
  O     -2.87973271     -6.83103230     -4.66036418
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  O     -1.84900991     -4.19088692     -5.05213106
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  H     -8.07634984     -3.09153280     -3.24111600
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  H     -4.13261246     -0.06585032     -2.65494280
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  H     -7.46348713     -4.74959760     -2.12839646
  H     -5.34226531      0.43687839     -3.46104255
  O     -5.66790741     -4.70091934     -4.64522827
  H     -7.57564114     -5.37022721     -0.71753550
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  O     -4.18529514     -3.23340622     -7.89103580
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  H     -8.20974400     -5.55415830     -9.03763728
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  H     -8.64533427     -4.04386607     -6.94067667
  O     -6.25490590     -0.47125694     -0.55725818
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  H     -8.69486528     -2.61688430     -6.37003007
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  H     -4.74245869     -3.24758891     -4.95683014
  O     -8.12866359     -3.99924339     -3.58401345
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  H     -3.84226713     -2.14415735     -4.30607363
  O     -4.85449732      0.57737600     -2.63894691
  H     -5.69067523     -3.63197290     -1.03922810
  H     -7.12576968     -3.15507863     -8.89786439
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  H     -5.75358741     -2.48850365     -8.68361192
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  H     -5.61188903     -5.39170611     -6.30607307
  O     -4.17533301     -2.48304148     -5.15050108
  H     -5.24627836     -5.24258914     -3.96516920
  H     -4.83480614     -6.29669957     -7.31426387
  O     -6.68043222     -2.29834902     -8.87664051
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  H     -2.12323333     -4.37810620     -1.44193014
  O     -5.53376468     -5.63479146     -7.24072854
  H     -4.64819966     -4.06939638     -7.73150972
  H     -3.48761933     -4.14416769     -0.75146962
  O     -2.84908917     -4.82791981     -0.99397421
  H     -4.11665226     -2.80254693     -7.02909876
  H     -0.00592322     -3.27372756     -2.53196083
  O     -0.95259291     -3.36833064     -2.59785198
  H     -7.29791137     -1.07047442     -3.48553674
  H     -1.14030243     -3.71293304     -3.48762080
          69
 Energy    -248.98938261114188     
  O     -1.33479809      0.29161688      0.57282019
  H     -2.17510171      0.74960518      0.69120249
  H     -1.82859947     -1.95575862      6.32357422
  O     -1.69361473      4.81730791     -1.47799015
  H     -1.49683444     -0.66002288      0.60116706
  H     -3.94614114     -0.17895126      3.96985678
  O     -2.15949872      4.12349570      1.16653209
  H     -1.86291059      5.49350287     -2.12800315
  H     -4.06608557     -1.50632189      3.17120529
  O      2.02041353     -0.64371943      0.20032808
  H     -1.86698218      3.96071448     -1.90960267
  H     -3.75706241      5.23717495      3.79827821
  O     -4.18662961     -2.34995020      1.45343081
  H     -1.28640061      3.80013178      1.43269216
  H     -2.90869259      4.44645619      2.77542656
  O     -0.56824487     -1.11097777     -2.72686384
  H     -2.06883261      4.47993449      0.27366706
  H     -1.01387916      0.18488186      5.09305848
  O     -4.60543630     -0.31293554     -0.50480748
  H      1.72108955      0.00895941     -0.44480207
  H     -0.19750886      0.83840556      3.94757638
  O     -1.93719001      2.34151962     -2.53065964
  H      1.62954588     -1.47610568     -0.09014083
  H     -3.67226484      1.62195127      2.03601549
  O      0.42010820      1.16100560     -1.39977958
  H     -4.60227234     -3.20869483      1.42156053
  H     -3.21666935      2.61308150      0.94977904
  O      0.49319339     -2.86477401     -0.97194536
  H     -3.24897406     -2.48488473      1.23123829
  H     -2.52060448      1.43219850      4.09847143
  O     -1.52307296     -2.49377003      0.90976700
  H     -0.11023600     -0.30526031     -2.45207588
  H     -3.52327396      2.59315369      3.92528382
  O     -1.64680690     -1.53361366      5.48873754
  H     -1.49979583     -0.87108013     -2.80539190
  H     -1.43005269      4.16066575      4.45495568
  O     -3.90038826     -1.14101763      4.04789040
  H     -4.43051109      0.49096011      0.00426621
  H     -0.59246547      2.92114765      4.82416277
  O     -3.22344274      4.45336758      3.69529226
  H     -4.57312424     -1.03692489      0.13094342
  H      0.14467451      4.26863165     -0.98474551
  O     -0.81484516      1.02805337      4.66638924
  H     -1.08036376      1.97488429     -2.28020921
  H      0.86594734      3.73953765      0.27369546
  O     -3.64303759      1.75619307      1.07845136
  H     -2.50054271      1.57637090     -2.69199020
  H      0.35563107     -1.38907307      3.03591056
  O     -3.43080671      1.63637415      3.83866442
  H     -0.20148821      0.88241954     -0.70722294
  H     -0.58036431     -2.08165350      4.04678495
  O     -0.52430079      3.85435854      4.57998243
  H      0.71357169      2.06145341     -1.19388926
  H      1.39428719      0.10431583      1.76046342
  O      0.90586068      3.75440028     -0.69249754
  H      0.11276922     -2.30328479     -1.67176724
  H     -0.09766320      0.44081093      1.82660315
  O     -0.10824394     -2.21408423      3.21476379
  H      0.91447986     -3.60136482     -1.40666280
  H      0.64554188      2.38410977      2.12452479
  O      0.71847200      0.46360011      2.35364259
  H     -1.05132994     -2.48877272      1.75825762
  H      0.20338980      3.62360997      2.93691240
  O      0.38226276      3.30709566      2.03871437
  H     -0.88100583     -2.74529003      0.23437416
  H     -3.87708961     -0.36490079     -3.55561022
  O     -3.26399221     -0.16034952     -2.85399466
  H     -2.49432573     -1.46596691      5.01192447
  H     -3.75680567     -0.25197364     -2.01984845
          69
 Energy    -248.98924818167512     
  O     15.05592665     10.43999744    -12.73350230
  H     15.30506126     10.35622059    -13.66193736
  H     17.23968067      1.93063177    -11.61692085
  O     18.99446481      6.34618010    -14.78688493
  H     14.20349920      9.99479396    -12.63394960
  H     18.40166038      5.24608954    -13.42169663
  O     12.75341107      3.98669727    -11.28571268
  H     19.89104943      6.44206523    -15.09747790
  H     17.54762063      5.41799533    -12.13785982
  O     14.26441035      1.73382178    -10.61815542
  H     18.71805626      7.21950383    -14.45710580
  H     14.40981835      4.11571433    -14.05168042
  O     16.78590082      5.29219769    -16.31010349
  H     11.92059476      4.46748517    -11.22686856
  H     14.15216916      5.54372108    -13.55450780
  O     15.12631423      7.44974134    -15.97699332
  H     13.09883791      4.14796350    -12.17741602
  H     14.32065439      7.68684500    -12.92936352
  O     18.16701516      8.75835705    -13.85239995
  H     13.61157130      2.41675114    -10.82400067
  H     15.65006843      6.93491852    -12.61489453
  O     10.61727530      5.83512405    -11.41974894
  H     14.82764394      2.11202526     -9.93228456
  H     16.32321871      9.80825467    -11.71583162
  O     16.13973071      3.14061207     -8.93310703
  H     16.50442335      4.52684687    -15.79395886
  H     17.40200445     10.06113816    -10.63781957
  O     16.07271361      9.95502878    -15.38880971
  H     17.58304229      5.62297602    -15.87650875
  H     13.32280982      7.56538146    -16.29457385
  O     15.89112794      1.03252129    -12.68249427
  H     15.66806513      6.71072691    -16.28704257
  H     12.11651733      7.59394350    -17.24567056
  O     17.72751996      2.54446834    -11.05486890
  H     15.08671813      7.34314011    -15.01274103
  H     11.69163197      6.97967596    -14.77181666
  O     17.91842983      4.75919920    -12.74338327
  H     17.52473657      9.22216855    -14.40389707
  H     12.23138507      5.82176969    -13.92057968
  O     13.70717077      4.70371910    -13.74771467
  H     17.92756467      8.96255588    -12.94179397
  H     16.67432608      3.84863015    -13.75351384
  O     14.97478999      7.07272714    -13.28849807
  H     10.83938542      6.12480395    -12.32046954
  H     15.98861198      2.47415174    -13.88662868
  O     17.06954437      9.40120987    -11.24031983
  H      9.66543762      5.84096074    -11.35720211
  H     15.98621178      6.30368229    -10.59322347
  O     12.35601979      7.63908682    -16.32319482
  H     16.55174274      2.84954237     -8.12412595
  H     16.82532648      7.58215013    -10.99918602
  O     11.60521353      6.56001665    -13.90405828
  H     16.77173516      2.95579780     -9.65119935
  H     12.34392654      8.11374414    -12.96397409
  O     16.05594358      3.34287967    -14.30168081
  H     15.72841854      9.10769052    -15.71717286
  H     12.80918709      8.35378584    -11.50257189
  O     16.69163277      6.64002020    -11.16419191
  H     16.09356111     10.55105256    -16.13322309
  H     13.32254583      6.78785090     -9.75565917
  O     12.89854027      8.67812053    -12.41291772
  H     15.84320447      0.09305895    -12.83777921
  H     11.88158229      6.84667715    -10.31152040
  O     12.61661274      7.39497540    -10.00946395
  H     15.25154324      1.23198840    -11.97550896
  H     15.17518190      4.68789058     -9.33418408
  O     14.65357060      5.38177367     -9.75843837
  H     17.94757220      3.29732618    -11.62063172
  H     14.00462284      4.91669810    -10.30585493
          69
 Energy    -248.98844445753033     
  O     14.94143890      9.78720583    -15.88343336
  H     14.61082299     10.20855620    -15.08060175
  H     17.10955213      6.43474744    -15.22085344
  O     16.11018111      4.98937062    -13.05365636
  H     15.62790231     10.37144076    -16.24264275
  H     18.45338205      5.19142516    -10.94114305
  O     16.55547865     13.76144593    -11.67128020
  H     15.22266424      5.34349330    -13.17776637
  H     17.43788445      5.54949514    -12.04764954
  O     19.42401666      9.10046728    -14.39438753
  H     16.49626778      4.97305785    -13.94106436
  H     19.26797950      9.12365291    -17.38995561
  O     16.16114419      6.18411252    -17.97051405
  H     17.25908924     13.44869080    -11.08795953
  H     20.19062988     10.33204556    -17.67659112
  O     16.34098542     10.75367796     -9.46229722
  H     15.74436542     13.35369322    -11.34365683
  H     16.36807959      8.07395584    -13.76656493
  O     15.06604450      8.31387744    -12.43353453
  H     18.51419677      8.76954951    -14.46598816
  H     16.29547257      8.67341061    -15.17611205
  O     17.13951469     11.99834573    -13.70817013
  H     19.63498945      9.48155820    -15.25456843
  H     17.67410396      7.57570324    -10.95325969
  O     20.14246189      6.52410647    -13.61665999
  H     16.47306566      5.80843410    -17.12887840
  H     16.41549436      8.38717596    -11.31993422
  O     13.65220885      6.31888989    -13.78268489
  H     16.03494063      5.45088792    -18.56874438
  H     14.62952700      6.87523667    -16.98771241
  O     19.93802165      5.50366929    -16.09950390
  H     16.63500510      9.88616584     -9.76715761
  H     14.21867501      8.16679785    -16.26230605
  O     17.21038028      5.52223538    -15.53796713
  H     17.11205191     11.33118634     -9.53005466
  H     18.78915805     11.71349958    -10.85751177
  O     18.21600404      5.87615019    -11.56231596
  H     14.80734292      9.19983815    -12.72607578
  H     19.41575641     12.62857621     -9.78081738
  O     19.56301479      9.98643576    -17.04757560
  H     14.45901597      7.67195503    -12.82161790
  H     19.20767819      9.99538070    -12.84835326
  O     16.84950418      8.12925228    -14.60137042
  H     16.95057978     12.76070377    -13.14158045
  H     18.28980448      9.71349836    -11.62708996
  O     17.25836602      8.43830687    -10.84141627
  H     17.72662769     11.42616333    -13.19905302
  H     15.00568392     11.57505974    -10.25982574
  O     14.02228976      7.22004399    -16.32475233
  H     20.01993607      7.46379999    -13.81347478
  H     13.66025223     12.32969905    -10.15188709
  O     18.58462402     12.37321532    -10.17244439
  H     19.53051006      6.30906712    -12.90346596
  H     17.88452321      7.17948813    -17.98860947
  O     18.81352090     10.40073741    -12.06422167
  H     13.77426959      6.59822712    -14.70769856
  H     19.22305963      6.83092466    -17.30080979
  O     14.35474782     12.09687123    -10.76224406
  H     12.75682517      5.99889434    -13.71160248
  H     15.48741843     11.25854403    -13.49617694
  O     18.77509930      7.50780281    -17.82382129
  H     20.63132771      4.87711842    -16.28651079
  H     14.34036719     11.33259007    -12.47254670
  O     14.61165161     10.89746204    -13.29058352
  H     20.09895327      5.84202184    -15.19947331
  H     17.19781272     11.67998167    -15.54528367
  O     17.09493318     11.33778102    -16.44487864
  H     18.15157512      5.38169698    -15.70187871
  H     17.94144697     10.94865735    -16.69003255
          69
 Energy    -248.98842813308778     
  O      0.36693543      4.86886020      7.02439556
  H      0.17851550      5.80303371      6.87026466
  H     -0.88179490      3.83234104      3.08755264
  O     -1.77726825      1.40507042      7.66051329
  H     -0.41687445      4.39408406      6.70906905
  H     -2.79223399      4.87286983      3.22436567
  O      2.05779649      4.04404087      5.00396658
  H     -2.53421291      1.33402010      8.23777137
  H     -3.90622023      5.73094495      2.58415279
  O      1.64921652     -0.68728547      6.67658159
  H     -1.92785845      2.18682312      7.10110048
  H      4.43941912      2.79731624      3.34503128
  O     -1.04931551      0.82202729      3.48565694
  H      1.61290056      4.38219768      5.79245289
  H      3.97738431      1.47066191      2.71578095
  O      3.14442881     -0.06172324      3.28928138
  H      3.00435345      3.95123042      5.16930861
  H      1.24162401      4.44006906      3.48413231
  O      4.01224942     -1.52187604      5.54510852
  H      1.51896265      0.07041507      6.08167215
  H      1.13443306      4.08464636      1.97699098
  O     -0.61628915      6.92431495      3.49187546
  H      1.96406757     -0.31185791      7.50795168
  H     -1.87462714      3.50337929      5.17023520
  O      2.07399151      2.93256068      0.88644285
  H     -1.14579756      0.14715973      4.17240774
  H     -2.47834648      4.45619819      6.23787041
  O      2.79822908      0.82625148      8.76587059
  H     -0.46608990      0.50302499      2.78017620
  H      0.68590842      3.39032780      8.16958020
  O     -0.49445505      7.40303048      6.16123778
  H      3.55053437     -0.68210101      3.90349657
  H     -0.11175724      2.07386045      8.30853887
  O     -1.72486431      3.44120950      3.35868727
  H      2.53673887      0.47693061      3.82194597
  H     -1.39432361     -0.02511885      6.44900969
  O     -3.21759014      5.74737046      3.24368609
  H      4.25605018     -2.42219112      5.74273050
  H     -0.21998361     -0.94916863      6.12985595
  O      4.18469682      2.39378186      2.50880725
  H      3.14122887     -1.37026094      5.95130372
  H      1.58216211      2.30179478      4.93285017
  O      0.71114801      4.58416790      2.68556234
  H     -0.07002873      6.21938700      3.11872694
  H      0.50754777      1.29062160      4.41260816
  O     -1.97683726      3.63568247      6.12189645
  H     -1.52893065      6.67430843      3.30225947
  H      1.69037235     -0.00671452      2.03768379
  O      0.71571072      2.50618077      8.55418872
  H      2.38356333      3.08483639     -0.00285613
  H      1.18701951      1.21510116      1.26485919
  O     -1.09339802     -0.68869189      5.81444688
  H      2.86588984      2.79168989      1.43638697
  H      4.60429570      0.21791233      6.21887422
  O      1.35695631      1.36665190      4.86548178
  H      2.98816617      0.69584452      9.69079784
  H      4.07340654      1.06297081      7.38984695
  O      0.90829377      0.35464610      1.60056785
  H      2.07732716      1.48060813      8.71848136
  H     -3.27393286      6.11808636      5.13573780
  O      4.65569991      1.09279723      6.61976913
  H     -0.29135006      8.32028738      6.32324879
  H     -2.30866296      6.67230737      6.20386524
  O     -3.09849919      6.12988545      6.08613350
  H     -0.47040750      7.27707429      5.19525870
  H      5.56495349      3.83580620      5.39935745
  O      4.75189657      3.38683776      5.18381608
  H     -1.61629339      2.47945389      3.32267108
  H      4.74528583      2.55913062      5.69713054
          69
 Ord_Energy   -248.988144    
 O   -8.90441418     -0.501044333     -0.578248262    
 H   -9.37530327      0.219340235     -0.142453983    
 H   -8.03993034     -0.142480537     -0.815303922    
 O   -4.44603682      -2.41998315       4.43760347    
 H   -4.83542347      -2.13804007       5.27575111    
 H   -4.93714666      -3.19626689       4.14875031    
 O   -6.35075569      0.687781274      -1.04269862    
 H   -5.94805050      0.877485931      -1.88562751    
 H   -5.75242996       7.63264000E-02 -0.575542152    
 O   -8.35739136      -3.36427331       4.44163179    
 H   -9.14720535      -3.46510863       3.89043140    
 H   -7.95463228      -2.53093982       4.15418291    
 O   -8.16501904      -2.43818927       7.05994177    
 H   -8.74980831      -1.67347312       7.12708712    
 H   -8.36199665      -2.86579585       6.21528339    
 O   -10.1200676     -0.371222287       2.95713210    
 H   -10.0921516      0.246643186       2.21392560    
 H   -10.0652056      0.175384700       3.75172687    
 O   -5.57218122      -1.65978837       6.93494749    
 H   -6.48519850      -1.99028552       7.01132822    
 H   -5.11321259      -1.94996762       7.72034597    
 O   -8.06180000       4.16022444       3.06706142    
 H   -7.68227720       3.74886346       3.85633445    
 H   -7.65209389       3.71206117       2.31568956    
 O   -7.44777060      -1.10819173       3.09436870    
 H   -7.15795183      -1.67524481       2.36721635    
 H   -8.37070656     -0.863677144       2.94048262    
 O   -7.14097357       2.43427944       5.09252834    
 H   -6.56377745       1.97470140       4.46557713    
 H   -6.95833826       2.04472017       5.95939970    
 O   -7.07768726       2.29185987       1.15317667    
 H   -6.56530523       1.86065793       1.85261226    
 H   -6.79351091       1.88260007      0.326792300    
 O   -9.59426308       2.67041903E-02   7.27268076    
 H   -9.75715923      0.556478322       6.47583580    
 H   -10.2907934      0.242813483       7.88845205    
 O   -9.77671051       1.54761958       4.97013950    
 H   -10.2432766       2.20154691       4.43583775    
 H   -8.84928036       1.83025169       4.99286032    
 O   -3.43433833     -0.543411016       2.77280068    
 H   -2.50058627     -0.452893198       2.94124675    
 H   -3.76129127      -1.24055088       3.37042952    
 O   -5.73975372      0.993037045       3.21590447    
 H   -4.85472631      0.633374810       3.09440565    
 H   -6.34006643      0.229793921       3.23981214    
 O   -9.79557610       1.63303781       1.06762373    
 H   -8.85583019       1.86881137       1.10694385    
 H   -10.2545109       2.28313589       1.61239088    
 O   -10.3861685      -3.15281177       2.61576748    
 H   -10.4855881      -2.20019841       2.75583577    
 H   -10.0317469      -3.24018860       1.72285450    
 O   -6.83160830      0.922596157       7.36260414    
 H   -6.30892420      0.130611390       7.18921232    
 H   -7.73583174      0.614216626       7.49679184    
 O   -9.10417461      -3.13110971       3.38448212E-02
 H   -9.45226288      -3.59475756     -0.723354042    
 H   -9.07737637      -2.18674302     -0.206193745    
 O   -6.57025385      -3.00916505       1.20843077    
 H   -7.41891766      -3.20103502      0.787385821    
 H   -6.39573097      -3.68421888       1.87563038    
 O   -10.6742973       3.46946979       3.07654405    
 H   -9.76536942       3.82400250       3.07193255    
 H   -11.2631092       4.21898651       3.07850337    
 O   -6.12018967      -4.60682106       3.50513506    
 H   -6.02682543      -5.52923536       3.72830772    
 H   -6.94907761      -4.30007696       3.91184688    
 O   -4.80844641      -1.05031347      0.318219423    
 H   -5.35597277      -1.81209207      0.554886878    
 H   -4.26488829     -0.861707866       1.09181321    
          69
 Energy    -248.98770109294878     
  O      3.53628518     -7.32680040      2.79139300
  H      2.91277555     -7.84250470      2.26258150
  H      4.48482481     -4.72873118     -2.12035649
  O      3.02058943     -1.88196393     -0.80660606
  H      3.11785669     -6.46382960      2.91628495
  H     -0.64712640     -1.36618319      0.05987671
  O      0.78136662     -7.42414224     -2.80221706
  H      2.73293496     -0.97324546     -0.65704666
  H     -0.07906103     -1.60570166     -1.36293438
  O     -0.45646026     -4.71644809      2.14259791
  H      2.30146474     -2.32816918     -1.27432579
  H      3.47404021     -2.38711332      0.89623094
  O      2.29804632     -4.83547001      2.45711841
  H      1.37163528     -8.09002998     -2.42914772
  H      4.60836859     -3.04477857      1.70797298
  O      5.32548572     -3.31216988     -1.48070692
  H     -0.04176043     -7.47979035     -2.30209201
  H      1.33224391     -5.45109189     -0.44866184
  O      5.78770080     -6.90025115      1.36505624
  H      0.47701210     -4.77011405      2.39617242
  H      2.82771979     -5.64781502     -0.85426131
  O      4.78160505     -7.89992253     -1.18302947
  H     -0.68367971     -3.77760075      2.16465982
  H     -0.51558600     -4.77671904      0.32938839
  O      2.53524214     -9.35973301     -1.59182333
  H      2.31994946     -5.15805214      1.54092380
  H     -0.92371431     -5.62151625     -0.91361495
  O      0.86530441     -3.04863679     -2.17607660
  H      2.77884720     -3.99955007      2.43223978
  H      1.74986897      1.46305774     -0.48646987
  O      1.70056549     -5.13045530     -3.94272464
  H      4.59606420     -2.69869847     -1.31209119
  H      0.94484318      0.14130697     -0.40940689
  O      3.95886814     -5.52291055     -2.29835187
  H      5.67545440     -3.55268124     -0.61486955
  H     -1.40723434     -7.47757826     -0.24230221
  O     -0.40028669     -0.92203988     -0.76053929
  H      4.99427210     -7.06768751      1.90506507
  H     -2.46451219     -7.64063381     -1.36111379
  O      3.77096376     -2.57555736      1.79972290
  H      6.46657154     -7.48449612      1.69483971
  H     -0.86186688     -6.61663961      1.84285344
  O      2.19948014     -5.72660481     -0.12675710
  H      5.13937669     -7.60461455     -0.33957862
  H     -0.03433814     -7.84547132      1.38019797
  O     -0.43466730     -4.83915875     -0.63262447
  H      4.59301547     -7.09223763     -1.68455250
  H      1.90210261     -8.86639064      0.14391391
  O      1.78034472      0.57180166     -0.15074158
  H      2.75607738    -10.21107834     -1.95948269
  H      1.90413426     -7.38427525      0.52074337
  O     -1.57660371     -7.33807196     -1.19193653
  H      3.37694682     -8.88803371     -1.45360791
  H      5.97228680     -5.08422524      1.23186197
  O     -0.93190867     -7.48665791      1.43185938
  H      0.32660543     -3.63113696     -1.61649799
  H      6.97082782     -3.94415591      1.51554626
  O      1.70581965     -8.26688030      0.87234267
  H      1.16074246     -3.60676646     -2.90399508
  H     -1.44545073     -1.42598017      2.44466412
  O      6.09116430     -4.12274377      1.18931793
  H      1.62989046     -5.21202051     -4.89029778
  H      0.06728444     -1.55274623      2.15964070
  O     -0.80519987     -1.92945813      1.94675354
  H      1.33752302     -5.95220214     -3.56433625
  H      1.75145970     -0.19642412      1.60884462
  O      1.64111285     -0.79917373      2.35542319
  H      3.30603443     -5.31951570     -2.97710790
  H      2.42923842     -1.35718777      2.35963334
          69
 Energy    -248.98717344833750     
  O     -7.43477484     -2.60982953      6.35572576
  H     -8.05200687     -1.96399948      6.71952267
  H     -4.22995597      0.49299815      1.76141004
  O     -9.83053821     -2.35681043      2.64219249
  H     -6.54541502     -2.27433008      6.52062475
  H     -6.73078877     -1.10539942      3.44357739
  O     -8.00593837     -4.02369895      4.12063048
  H    -10.00442233     -1.62782516      3.25213805
  H     -8.03046286     -0.43025358      4.00652859
  O     -5.27631249      0.32922478      0.26269558
  H     -9.28872053     -2.98608486      3.13238532
  H     -4.37729063     -1.61725775      5.81750563
  O     -5.92055996      0.87066253      5.99521654
  H     -7.82015225     -3.54797957      4.95067225
  H     -4.11638620     -1.90938755      7.31481162
  O     -5.74605260      5.03554757      1.09414217
  H     -8.17105595     -4.93262831      4.35621506
  H     -2.58604056      1.98886118      2.03736707
  O     -9.36065951     -0.67727453      7.22103770
  H     -5.44047066     -0.59174166      0.03215702
  H     -1.21203969      2.55350012      1.61059796
  O     -3.83147299     -1.61723607      4.17797367
  H     -6.11962007      0.66798969      0.60211630
  H    -10.25888028      3.24676693      4.36489970
  O     -4.36448986      3.00942239     -0.09490664
  H     -5.44916619      0.14158136      6.41304800
  H     -8.84022230      3.01411899      3.81465217
  O     -9.81910473     -0.21647678      4.47254412
  H     -6.32355701      0.49359587      5.19516496
  H     -6.05737640     -2.64498551      1.79939127
  O     -6.23408122     -2.34440606     -0.02796140
  H     -5.79897403      5.76965799      0.48767484
  H     -6.65466535     -3.25515914      3.11566584
  O     -3.75289183      0.72641095      2.56996819
  H     -5.30453689      4.31194299      0.61422131
  H     -8.50637839     -0.38973311      0.61397704
  O     -7.10917513     -0.27469224      3.75926565
  H     -9.00803659      0.23072724      7.22557852
  H     -9.15039914     -1.71164474      1.09702761
  O     -4.77311397     -1.57950681      6.70799333
  H     -9.93547058     -0.75505203      7.97772061
  H     -8.73282769      2.22536627      6.13765940
  O     -2.13560676      2.77736243      1.68974679
  H     -3.66971815     -0.80911635      3.67557492
  H     -7.44373761      1.58592115      6.69988998
  O     -9.51625798      2.64782586      4.40698330
  H     -4.48899080     -2.10914428      3.66590279
  H     -4.35185540      4.96861730      2.51572518
  O     -5.98583753     -2.65444696      2.76196926
  H     -3.52125847      2.98213797      0.37453071
  H     -3.04418583      4.17446399      2.68510197
  O     -8.67358515     -1.30505854      0.35785955
  H     -4.66355792      2.09310598     -0.14724741
  H     -4.65789241      3.35529120      3.96115895
  O     -8.35676901      1.81746014      6.92630994
  H     -9.79416894     -0.42347230      5.41593395
  H     -5.30379841      2.20335064      4.86338667
  O     -3.69757752      4.69470864      3.17075121
  H     -9.80654699      0.74555489      4.39170647
  H     -7.69677508      2.03348086      1.69820266
  O     -5.25271671      2.59223260      3.98167478
  H     -7.15061565     -2.01442750      0.03829074
  H     -7.44197181      0.61839815      2.24414925
  O     -7.64339653      1.10936874      1.43213210
  H     -6.20977391     -2.94831186     -0.76463176
  H     -6.74255820      3.16879718      3.23543721
  O     -7.48660896      3.56564577      2.75256576
  H     -4.32862685      1.32683114      3.06670008
  H     -7.07887620      4.20305873      2.15460225
          69
 Energy    -248.98712248750059     
  O     13.55626599     12.02898253     -8.69346685
  H     13.57486040     11.97480648     -7.74142225
  H     13.44014264     13.24567675    -12.57514727
  O     11.05996206     10.93676578    -15.28314335
  H     13.68125677     11.12100568     -9.02704236
  H     11.91784062     13.97832324    -15.73228462
  O     13.77198520      9.56234050     -9.75451699
  H     11.42205660     11.01907000    -16.17427257
  H     12.45267593     13.21648958    -16.96022837
  O     11.45587067     12.52453656    -10.50659617
  H     11.03729921     11.82965278    -14.91119039
  H     15.13438044     11.65481451    -12.70799577
  O     11.50371400      9.80872168    -11.40200920
  H     14.53474736      9.23014575    -10.24184299
  H     13.87932540     11.08040572    -13.43738444
  O     12.94398537      9.59073207    -13.76293024
  H     12.99322863      9.42492788    -10.30984105
  H     16.82960252     12.78290485    -14.78619283
  O     14.99619639     15.67739582    -11.44929410
  H     12.04925668     12.39701903     -9.75643500
  H     17.54159593     11.43207013    -14.78493672
  O      9.36489328     10.10514886    -13.12190079
  H     11.93774620     13.10210209    -11.11794021
  H     13.34172411     11.24460465    -17.49849226
  O     15.06639095     13.51108256    -15.31189211
  H     11.51681446     10.72518771    -11.09602056
  H     12.27416988     11.19959116    -18.61714481
  O     15.01994080     11.21257039    -17.00393125
  H     10.69478479      9.72290651    -11.92788481
  H     16.86601081      8.41748521    -10.69400198
  O     10.90705406     13.52730174    -14.15483074
  H     12.49224659      9.55524711    -12.90829126
  H     16.43641233      9.74317889    -11.36818500
  O     12.90750887     14.01181547    -12.30610592
  H     12.30902120      9.96163120    -14.39046303
  H     15.71857990      8.46324246    -12.96785073
  O     12.60715175     13.99304140    -16.40808466
  H     15.60172435     15.54186050    -12.19943460
  H     14.56112314      8.74744800    -13.94535494
  O     14.34677765     11.89418968    -13.21051191
  H     15.08739589     16.58842475    -11.18331665
  H     17.67975241      9.17990283    -16.03385334
  O     17.54485474     12.29970093    -14.35586962
  H      9.80524452     10.25952560    -13.96789748
  H     16.53164243      9.30226465    -15.00415688
  O     12.40364214     11.41464333    -17.69739751
  H      9.11313734     10.97844118    -12.79719069
  H     16.51290215     12.09735323    -11.20816235
  O     16.14642109      8.83707047    -11.15929134
  H     14.25364488     13.82892164    -15.73293408
  H     17.16124032     11.77133125    -12.61981582
  O     15.49115185      8.48460658    -13.90482224
  H     14.79311811     12.91590869    -14.59507201
  H      9.86236257     12.69366507    -11.39103384
  O     17.09274291      9.80732280    -15.62038564
  H     15.11741016     12.05673615    -16.54612785
  H      8.40581362     13.17416182    -11.56653074
  O     16.74731803     11.39274320    -11.83322092
  H     15.70096982     10.64104513    -16.63231715
  H     17.33097431     14.51772544    -13.58324264
  O      9.13757144     12.77633864    -12.03225005
  H     10.15243820     13.37474025    -13.57433619
  H     15.98716254     14.75764079    -14.27249890
  O     16.57663768     15.11058386    -13.58976078
  H     11.62660365     13.80327674    -13.56775602
  H     14.99145704     12.90679858     -9.61622830
  O     15.73978056     13.24777286    -10.12127946
  H     13.52248517     14.69044082    -12.00716791
  H     15.48004494     14.11331322    -10.45687837
          69
 Energy    -248.98680805087270     
  O     15.92096343     10.31481994    -16.67748868
  H     15.21265649     10.80394162    -16.24085082
  H     17.68890214      6.35695934    -11.63271095
  O     15.35000217      5.33859689    -13.85002832
  H     16.29692976      9.71910722    -16.00859552
  H     19.44342271      9.95965265    -17.04457604
  O     19.03989337     13.30878680    -11.34036396
  H     16.10399057      5.33533464    -13.24715983
  H     20.68674931      9.44751610    -17.81397739
  O     19.79778451      8.10683155    -14.74884317
  H     15.70621427      5.47207730    -14.73736072
  H     17.92937312      8.51261069    -14.67434963
  O     14.43892728      7.92510656    -17.24647584
  H     19.47385001     12.56169572    -10.89089700
  H     16.52619672      8.63602669    -13.96896520
  O     17.51793982     10.03008180     -9.01305882
  H     19.54726602     14.08876529    -11.13373977
  H     13.41283259     10.53244483    -15.09721668
  O     15.56709304      8.83436745    -12.43378131
  H     19.95472523      8.39240666    -15.65606613
  H     13.06678739     11.98843897    -15.49342240
  O     18.21435584     11.85612305    -13.62987963
  H     19.64147973      7.15069988    -14.74934155
  H     17.66171484      8.58157002    -10.16598564
  O     18.94267348      5.51428585    -14.62796406
  H     15.05546442      7.22197541    -17.01856586
  H     18.38481781      8.52347828    -11.52909862
  O     13.48821145      7.04877743    -12.92186602
  H     14.96140710      8.73863548    -17.26109754
  H     13.35877764      8.45905052    -15.85980875
  O     16.62509836      6.22367035    -16.22233020
  H     17.11227999     10.76931687     -9.50159561
  H     13.04810792      8.24739901    -14.35851950
  O     17.60866428      5.50015394    -12.08061252
  H     17.23418735     10.11413721     -8.10671086
  H     19.27797931     10.66969783     -9.63636051
  O     19.90046965      9.15777848    -17.35875950
  H     14.82305193      8.22097338    -12.48334889
  H     19.98815869     10.46024115    -10.98152186
  O     16.97640063      8.55390833    -14.81867200
  H     16.22335816      8.49271525    -11.81379778
  H     19.75019444      9.05006798    -13.26217432
  O     13.77296418     11.43616349    -15.16944675
  H     17.26288194     11.76441412    -13.47585604
  H     18.98387403     10.35522818    -12.92134964
  O     17.77524725      8.03434815    -10.95384967
  H     18.54018867     12.48333488    -12.97231989
  H     16.07373653     12.01373636    -11.26062157
  O     12.95223899      8.87269338    -15.08390106
  H     18.19775374      5.54267382    -15.24034172
  H     17.33510413     12.68203476    -10.68855172
  O     19.98258007     11.02173971    -10.19281348
  H     18.55823894      5.43787885    -13.74578536
  H     18.67413010      7.92066654    -18.04415166
  O     19.41839125      9.58550674    -12.52784891
  H     14.09058957      6.37476372    -13.28561855
  H     17.56594192      7.70156345    -19.08233247
  O     16.57292188     12.14305486    -10.44359929
  H     12.79128133      6.58275722    -12.46834056
  H     14.88682035     11.63266705    -13.69621976
  O     18.01294964      7.28265090    -18.34880026
  H     17.10892261      6.42378154    -17.03726559
  H     15.48241175     10.57126259    -12.74325577
  O     15.52028774     11.51110151    -12.97931931
  H     16.68941850      7.02911127    -15.68185695
  H     18.51979459     11.54864942    -15.47685443
  O     18.53347735     11.27503027    -16.40257604
  H     17.82353832      4.83432710    -11.43049329
  H     17.61290684     11.09318259    -16.63738374
          69
 Energy    -248.98657333531651     
  O     11.84873129     13.06669031    -12.67228138
  H     11.00191653     13.48519205    -12.54518557
  H     18.04816356     13.27157729    -16.87152380
  O     19.68684944      8.16837664    -10.73043640
  H     11.72232715     12.11214880    -12.51710522
  H     13.61837477      8.38626420    -14.29280631
  O     17.49281051     11.60701543    -12.12308623
  H     20.00814579      8.49887219    -11.58879767
  H     12.69495152      9.31629339    -15.06371788
  O     13.34507710      7.47434172    -11.50134112
  H     20.44063354      8.14694802    -10.14666968
  H     15.26642585      9.89627003    -13.76516448
  O     16.05025555      7.04433752    -11.81365527
  H     17.32588387     12.52317429    -11.87474320
  H     14.71392485     11.36980086    -13.82754001
  O     18.58259246      6.02415777    -12.30700445
  H     16.70022632     11.31962860    -12.60818465
  H     14.17549894     10.48130081    -16.65497366
  O     13.71500874     12.64717352    -14.71183062
  H     12.85708245      7.66453523    -12.30738829
  H     12.79729678     10.50057364    -17.35299685
  O     17.74426703      8.66662033    -15.66482333
  H     13.57998600      8.33612791    -11.13399745
  H     20.30580788      8.16110116    -13.80922597
  O     17.11555984      9.33077563    -10.53723964
  H     15.10339053      6.98752136    -11.62471388
  H     20.08234880      9.67611921    -13.65437387
  O     15.91521520     10.49416701    -16.85540972
  H     16.39016669      7.82707881    -11.35727846
  H     15.22801782     13.67807008    -14.62918816
  O     19.51162659      6.67747005    -14.76712097
  H     19.03198037      6.60238975    -11.67893534
  H     16.24854797     14.18217906    -13.58056734
  O     17.67090292     12.67682101    -16.22875328
  H     17.63983096      6.18983755    -12.16632720
  H     16.64073387     14.93323971    -11.12770372
  O     12.72192849      8.75362383    -14.28041802
  H     12.99530446     12.85045251    -14.10032897
  H     15.59584951     13.81622574    -11.35657144
  O     15.22371220     10.74284553    -13.30232744
  H     13.39173848     12.02443560    -15.37558148
  H     14.15020743     12.10210702    -10.64894087
  O     13.21576421     10.54848111    -16.49721744
  H     18.13710259      9.42848496    -15.21444322
  H     13.32071814     13.14084126    -11.43413288
  O     20.48675764      8.90958343    -13.22761914
  H     18.33434539      7.92161520    -15.49570302
  H     18.49140093     11.17817432    -13.57091319
  O     16.10995207     14.06293715    -14.52680396
  H     17.97893420      8.90789468    -10.43854851
  H     18.60285752     11.54977373    -15.06853597
  O     16.44245173     14.17747523    -11.67409138
  H     17.29308410     10.14613677    -11.02797805
  H     12.07814677      9.84965601    -12.96164796
  O     14.10216046     13.03688795    -10.87750563
  H     16.44607425     11.28773242    -16.71498365
  H     12.47235086     10.26940958    -11.53024681
  O     18.89029282     10.90546388    -14.40975664
  H     16.49839781      9.75837468    -16.63251910
  H     15.17356670      9.84369465    -10.38404995
  O     11.82409655     10.42487143    -12.22480615
  H     19.97413819      5.94097583    -15.15739880
  H     14.56293801     10.33682401    -11.70397617
  O     14.33939499     10.11793731    -10.78256824
  H     19.15296274      6.36492228    -13.91674264
  H     15.67923332      7.69544818    -13.46407904
  O     15.41993152      8.14722754    -14.27868759
  H     17.14245357     13.22140092    -15.61769072
  H     16.21504337      8.23969707    -14.81890718
          69
 Energy    -248.98633292079239     
  O     18.10946503     15.13639244    -15.93180479
  H     18.84694782     14.81492242    -16.46460094
  H     17.48940843     10.50929693     -8.90579551
  O     21.42289335      9.79519627    -15.31538152
  H     18.50489675     15.57647233    -15.16876968
  H     20.90407593     16.75165290    -10.86887158
  O     19.32757868     13.35749191    -10.04051733
  H     22.22825728      9.40919774    -15.65216406
  H     20.87509965     18.24424634    -11.27735576
  O     15.26290388     13.40653155    -12.95816051
  H     21.68351241     10.58379089    -14.80959286
  H     20.89308246     12.66536653    -10.76517680
  O     19.98138304     10.05229784    -11.33340081
  H     18.85061162     12.57700652     -9.73410704
  H     22.42732753     12.83835302    -10.84519413
  O     16.13277527     10.94260451    -11.71803279
  H     18.80468045     13.71075954    -10.77520068
  H     17.84560318     10.63864122    -13.92192652
  O     19.79318496     11.55059912    -16.90780802
  H     15.43476013     13.45987265    -13.91291308
  H     17.96036361      9.11419364    -13.91019812
  O     21.58579518     14.70248026    -14.79867477
  H     14.41369991     13.81530117    -12.80910663
  H     20.21137234     13.17248793    -17.16417380
  O     21.07499525     15.53158727     -9.63118862
  H     19.30679945     10.23052247    -10.66520756
  H     20.65183335     14.25335935    -18.18239522
  O     21.85467888     12.10416585    -13.90152517
  H     20.72734746     10.63921936    -11.14999359
  H     22.42978027     16.47807654    -12.40260503
  O     17.09214302     11.14773875    -16.44088056
  H     16.42230293     10.41117175    -12.47319383
  H     22.73964153     15.45588284    -13.51235498
  O     17.89015648     10.94237844     -9.65472490
  H     15.75262123     11.74388701    -12.09412154
  H     19.85077483     16.54958802    -12.93633540
  O     20.89365097     17.35892175    -11.63047379
  H     18.85000636     11.36239018    -16.79408141
  H     18.86848633     15.35195939    -13.07575273
  O     21.70348121     12.25050225    -11.09440947
  H     20.28147889     10.85486110    -16.45686167
  H     23.44520936     14.82173302    -11.32285876
  O     17.31450651      9.83005743    -13.99335581
  H     21.31526740     14.55814141    -15.71446923
  H     24.41992796     14.36824620    -10.20869257
  O     20.41714416     14.12075426    -17.26841916
  H     20.83417674     15.12718316    -14.35941599
  H     20.22292183      8.74229947    -14.21821106
  O     23.08857781     15.83623035    -12.69594549
  H     21.93427736     15.11150098     -9.76053160
  H     19.80876334      8.76022674    -12.73871731
  O     19.42239624     15.96910303    -13.57679995
  H     20.42482485     14.81684951     -9.61749190
  H     19.31654715     11.20830102    -12.64821850
  O     23.51954660     14.28813707    -10.51084287
  H     21.87347797     12.14984227    -12.93603346
  H     19.93830099     12.02205610    -13.79314291
  O     19.61094859      8.34257425    -13.58761032
  H     21.85913699     13.01165313    -14.23538164
  H     16.67607169     14.20218303    -15.73963063
  O     19.10546077     11.85202844    -13.34007834
  H     16.65143715     11.95847451    -16.16485364
  H     15.29519758     13.90545903    -16.36699640
  O     15.86876456     13.66476373    -15.64310034
  H     17.01502476     10.53742396    -15.69486060
  H     16.96142930     13.96842100    -12.41417146
  O     17.91348988     14.06104981    -12.30225572
  H     17.22240430     10.94907388    -10.36469623
  H     18.31437627     13.27766492    -12.71511586
          69
 Ord_Energy   -248.985764    
 O    2.37902212       4.39966917       2.19829583    
 H    2.58687115       4.93940783       1.41497719    
 H    2.97850800       4.67774963       2.88719225    
 O    1.20953035       8.12094307     -0.690754175    
 H    1.53167510       9.01960754     -0.700943887    
 H   0.491168886       8.09060669      -3.84815186E-02
 O    9.05778185E-02  0.486595064      -2.47129583    
 H   0.446993202     -0.401466489      -2.61350942    
 H  -0.590523422      0.393474251      -1.78958249    
 O  -0.246434614       6.85234785      -2.83617783    
 H   0.352835685       7.31816196      -2.24193931    
 H   -1.01250684       6.63001204      -2.28932238    
 O    2.08864141       1.69331098       1.46398532    
 H    2.24800658       1.67152095      0.509130120    
 H    2.25091696       2.59831643       1.75963891    
 O  -0.312931329      -2.20091200      0.237906545    
 H   0.464874804      -1.81981635      0.683419168    
 H  -0.548958302      -2.98631859      0.724718869    
 O   -2.05216146       6.16896009     -0.809328318    
 H   -2.80438018       5.63352060     -0.523822248    
 H   -1.80823374       6.76209211      -8.85208473E-02
 O    2.86205411       5.87757015      -2.52832193E-02
 H    2.77622199       5.30727100     -0.801395118    
 H    2.35388184       6.67155600     -0.227192357    
 O   0.626268923       4.80394793      -4.37924194    
 H   0.768344223       5.09793615      -5.27474356    
 H   0.296336204       5.57328510      -3.87916756    
 O   -3.99760675       4.32744884      -9.24693979E-03
 H   -4.94979191       4.35371876       3.58168110E-02
 H   -3.76894236       3.56332207     -0.568503261    
 O    1.15548003      -2.03796077      -2.25531626    
 H    2.04487443      -1.84998274      -1.93073905    
 H   0.628305793      -2.24022055      -1.47146106    
 O   -1.11969733       2.81594896      -3.31363964    
 H  -0.563838840       3.42418194      -3.81504893    
 H  -0.637108326       1.98050451      -3.21753240    
 O    3.58090425      -1.00507915      -1.07978034    
 H    4.50971746      -1.03674889      -1.29368711    
 H    3.29486728      -8.50476474E-02  -1.21063077    
 O    1.95818329      -1.11641908       1.27266324    
 H    2.61201978      -1.20870054      0.568136334    
 H    2.00761890     -0.191431403       1.54664850    
 O  -0.359375298       3.93223500     -0.867582917    
 H  -0.699889898       3.51354647      -1.67151189    
 H  -0.863310099       4.74602079     -0.746490657    
 O   -2.32005358       3.94091582       2.31517458    
 H   -1.80883205       3.16190243       2.05313063    
 H   -2.96356869       4.07440710       1.61024904    
 O   -3.29143214       2.23256898      -1.58578801    
 H   -2.93902516       1.41931665      -1.20167041    
 H   -2.71504641       2.44565964      -2.33070302    
 O    2.42736721       1.48539579      -1.33313870    
 H    2.51311207       2.39647651      -1.64085448    
 H    1.59691060       1.15135098      -1.70383322    
 O  -0.866025984       7.86484289       1.14167011    
 H   -1.32049656       8.46217918       1.72870409    
 H  -0.590646386       7.09546614       1.67739129    
 O  -0.198196590       5.69183397       2.49567986    
 H  -0.945322752       5.07456160       2.51469517    
 H   0.608442485       5.17155027       2.43172765    
 O   -1.77402449      0.127903312     -0.429234356    
 H   -1.42342138     -0.735988140     -0.180120915    
 H   -1.42635882      0.764651895      0.215379864    
 O    2.11913347       4.13042498      -2.06316972    
 H    1.30311942       4.10383654      -1.53582811    
 H    1.83160055       4.34397507      -2.95789003    
 O  -0.642416954       2.06343651       1.13846195    
 H  -0.561769128       2.75215960      0.459688991    
 H   0.259649128       1.84741783       1.40282965    
          69
 Energy    -248.98543522201552     
  O     12.57350102      9.87106728    -16.54693001
  H     12.91551651     10.74722492    -16.33071085
  H     16.24475118      6.62148462    -16.48035570
  O     16.44945223      7.74963498    -12.81010158
  H     11.77039525      9.77554041    -16.01212486
  H     18.90924409     10.09123434    -13.91018428
  O     15.74402513     11.88385886    -11.37359297
  H     16.16681862      8.41472570    -13.45869783
  H     18.48145793     10.18864362    -12.41617677
  O     16.20048549     12.85568513    -15.82928926
  H     16.83719403      8.25707639    -12.08712136
  H     16.77280641     11.34933922    -16.54892766
  O     13.56089673      7.52511648    -15.38138260
  H     16.33749521     12.42499982    -11.90816741
  H     16.32286879     10.07863246    -17.36726001
  O     12.07132285      9.66436625     -9.54843529
  H     14.99503120     11.67400737    -11.95076433
  H     14.79681708      8.87300616    -14.95644711
  O     13.74564911      7.14521321    -12.63182727
  H     16.55106890     12.99075051    -14.94017717
  H     15.95734277      9.84791547    -15.33849859
  O     13.78844970     11.16610261    -13.17369707
  H     15.23898883     12.82531204    -15.75570318
  H     10.96300134      9.44438155    -13.83071897
  O     17.47712342      6.82083202    -15.26405163
  H     14.13413513      7.07311967    -16.01534975
  H      9.69673945      9.12191348    -14.63834263
  O     13.78758361      7.36157038     -9.78984519
  H     13.11083287      8.24337009    -15.84710826
  H     16.30294215      8.02764865     -7.95765853
  O     19.06368938      9.15444744    -15.58215914
  H     11.45536083      9.88343798     -8.85467645
  H     15.27472642      8.01696562     -9.11277816
  O     15.50973484      6.55602070    -17.11636126
  H     12.88392428     10.17287262     -9.37383124
  H     18.10455539     13.77531380    -13.14322676
  O     18.78793831     10.70162737    -13.17407574
  H     13.55067318      7.10162502    -13.57831952
  H     17.99287172     12.23860665    -13.27630989
  O     16.99118986     10.42887729    -16.76066709
  H     14.70427515      7.27554009    -12.57991000
  H     16.80269697     10.37700884    -11.09733661
  O     15.41051152      9.53378975    -14.60907626
  H     13.09753596     10.58243054    -12.83694406
  H     17.05512465      9.19973836    -10.13074778
  O     10.54635344      9.55214018    -14.69972876
  H     14.41677270     10.60726646    -13.66124330
  H     15.04309536     10.16002322     -8.83502487
  O     16.02905813      8.50442173     -8.73657562
  H     17.18492676      6.91820270    -14.34852404
  H     14.89778974     11.36908986     -9.78182627
  O     17.47732770     13.06598095    -13.26023213
  H     18.11033572      7.53632325    -15.40405063
  H     14.07132478      9.40517982    -17.74544863
  O     17.36124783      9.59897734    -10.95466189
  H     13.72268788      7.11420134    -10.72057340
  H     15.11549132      8.27231425    -17.89419021
  O     14.44799781     10.87912609     -9.08100612
  H     13.10619213      8.02969110     -9.64552154
  H     11.86767695      9.43685612    -11.35892947
  O     14.94218084      9.19876370    -18.10509971
  H     19.87333976      9.25228043    -16.07726730
  H     12.55926970      8.51087988    -12.39912313
  O     11.95764063      9.26406392    -12.30484763
  H     18.37432472      9.63619002    -16.07410496
  H     13.43339351     12.10128583    -14.64357054
  O     13.37048154     12.45968544    -15.54524822
  H     15.64137718      5.74865413    -17.60590665
  H     12.69677416     13.13562454    -15.52693764
          69
 Energy    -248.98536796562541     
  O     16.40321635      9.51410013    -17.07371827
  H     15.68064123     10.12747019    -16.88920510
  H     17.36964531      6.79100815    -11.17696791
  O     15.25998250      5.44023280    -13.43430618
  H     16.64908649      9.12395334    -16.21720535
  H     19.99410931      9.46275510    -16.74141678
  O     18.78161663     13.69523709    -11.90362933
  H     15.94683391      5.53466564    -12.76176874
  H     21.29553764      8.82133622    -17.28578175
  O     19.84453801      7.94204839    -14.18832427
  H     15.71379620      5.37206692    -14.28236722
  H     18.00028988      8.33874820    -14.41200141
  O     14.61317549      7.20930456    -17.13641931
  H     19.14312658     13.04652297    -11.27350342
  H     16.53065786      8.62015951    -13.90795495
  O     16.91901954     10.87284609     -9.26027747
  H     19.26600325     14.50603467    -11.77543131
  H     13.73107401     10.23768848    -15.84070946
  O     15.40061325      9.11891026    -12.56626264
  H     20.17733827      8.09859945    -15.08036210
  H     13.56742592     11.55671567    -16.63507637
  O     18.24754120     11.84239259    -13.97477034
  H     19.67963022      6.99388150    -14.08249869
  H     17.21023796      9.23352453    -10.08771205
  O     18.93314025      5.38743536    -13.83705212
  H     15.21081844      6.54718568    -16.77367691
  H     18.10631966      8.94099910    -11.31022331
  O     13.34864092      7.27661254    -12.91608795
  H     15.17549552      7.96820374    -17.33391449
  H     13.48851922      8.09511615    -16.01852364
  O     16.84058965      5.86477723    -15.78022123
  H     16.59013627     11.50287574     -9.92684817
  H     13.05884936      8.25636637    -14.54637028
  O     17.32039641      5.87526382    -11.49291997
  H     16.51611099     11.11799733     -8.43157989
  H     18.75553145     11.40919505     -9.74142439
  O     20.48737884      8.62538988    -16.81969956
  H     14.65345214      8.50730674    -12.57593523
  H     19.64291155     10.96629342    -10.91387825
  O     17.06985061      8.36918385    -14.66693182
  H     15.98529675      8.89348458    -11.83203235
  H     19.66597930      9.14535645    -12.91658017
  O     14.19720405     11.04172664    -16.13769085
  H     17.28262581     11.77318163    -13.93474623
  H     18.90579608     10.49735649    -12.91608497
  O     17.41737275      8.55658679    -10.74508234
  H     18.49525685     12.58126828    -13.40507402
  H     15.80692409     12.41697385    -12.01148110
  O     13.07380092      8.71031404    -15.39468233
  H     18.27604215      5.32588266    -14.54104936
  H     16.99572676     13.17434501    -11.39680413
  O     19.53409799     11.66319888    -10.25071371
  H     18.43733552      5.47994675    -13.01395483
  H     19.04174073      7.57228825    -17.53645575
  O     19.27582488      9.81567508    -12.33796777
  H     13.96780835      6.55749578    -13.13687087
  H     17.60790630      7.98373507    -17.86865709
  O     16.19869288     12.67981383    -11.16891656
  H     12.61436102      6.87921399    -12.45616729
  H     15.01660427     11.55477810    -14.53061020
  O     18.18408520      7.21528127    -17.79985195
  H     17.34618503      6.06764673    -16.58076703
  H     15.38625323     10.73993613    -13.26766271
  O     15.48662316     11.60712397    -13.69061673
  H     16.83032348      6.70708051    -15.29486884
  H     18.75468947     11.22587306    -15.66720340
  O     18.90906558     10.80211174    -16.52183406
  H     17.45220501      5.31906438    -10.72758051
  H     18.04364166     10.52212617    -16.84323131
          69
 Energy    -248.98482443982078     
  O     17.18935986     11.11606522    -11.18759322
  H     16.38677643     11.13311339    -11.72554341
  H     17.50245073      7.11829312     -9.00645854
  O     13.23290009     11.71828352    -10.14796336
  H     17.91671642     10.82638864    -11.74761526
  H     18.16016989      5.96546520    -14.63585605
  O     14.86382184      8.20283772     -7.83680533
  H     13.74538459     11.67861404    -10.96406334
  H     16.81845186      6.06084500    -15.39092127
  O     16.43886553      5.87676054     -8.11265317
  H     13.84781857     11.93768953     -9.43816724
  H     19.69936942      8.33610679    -12.03366094
  O     13.05298905     10.11808572     -6.86459117
  H     15.38523994      7.39801132     -7.74109055
  H     19.20808330      7.56013461    -10.80178641
  O     11.40319660      9.93106219     -9.21241816
  H     15.45791501      8.87856497     -8.19488670
  H     14.80623785     12.81862976     -7.15727859
  O     15.26339101     10.42057175    -15.24064784
  H     16.61886881      5.13683032     -7.53982078
  H     14.13838018     11.43168536     -7.31873084
  O     15.00659882      5.55842992    -15.05907609
  H     15.79227700      5.57299239     -8.77614152
  H     13.56185685      7.75396233     -9.02815502
  O     14.68324215     11.08683004    -12.52153730
  H     13.63353238      9.35885446     -7.01636002
  H     12.18506796      8.23863668     -9.50502590
  O     16.37449427      7.80299327    -11.90325792
  H     12.35877054     10.04890184     -7.53172983
  H     16.95903601      8.56100170    -13.42467371
  O     15.99833602      5.11818096    -12.46810495
  H     12.02149169     10.57169828     -9.60884877
  H     17.51584871      8.07763440    -14.78811774
  O     17.90374238      7.82842723     -9.52374444
  H     10.52432730     10.25762008     -9.38477232
  H     19.11543416      6.04545937    -12.49720701
  O     17.71916520      6.40974455    -15.37140936
  H     16.04253974      9.91022607    -14.95923065
  H     19.46363792      4.60172697    -12.91853977
  O     19.68937536      7.45846601    -11.63516617
  H     15.50203951     10.86545908    -16.04974550
  H     14.18461047      8.79411506    -15.08885287
  O     14.77564003     12.04937214     -7.71950561
  H     14.55495246      6.41917105    -14.99377099
  H     13.62417533      8.11132734    -13.83402409
  O     12.84735030      7.55051183     -9.65053071
  H     14.46653428      5.00799562    -15.61978860
  H     13.88491618      5.88219014    -10.03874606
  O     17.30951040      8.87161015    -14.27403929
  H     14.27483873     10.23306346    -12.30768294
  H     14.96524769      5.12855490    -10.87814943
  O     18.77377490      5.25912246    -12.95881953
  H     14.80180399     11.07865606    -13.47755719
  H     19.93217134     10.57690813    -13.36172179
  O     13.80901746      7.96518634    -14.77320779
  H     16.89819412      7.88328267    -11.09772025
  H     18.67526355      9.68237818    -13.48607007
  O     14.60603665      5.24401172     -9.98912496
  H     16.24712138      6.85969196    -12.07414562
  H     13.33607628      8.20460804    -11.26229536
  O     19.31616466     10.05272162    -12.85565008
  H     15.59885880      5.17475764    -13.34699390
  H     14.70430133      8.29825113    -11.97244725
  O     13.76624803      8.53023249    -12.06114522
  H     16.95133828      5.01189816    -12.59499700
  H     16.11916814     10.87437463     -8.28309916
  O     16.62309372     10.17860253     -8.72170452
  H     17.61237002      8.66580660     -9.13797791
  H     16.84658139     10.52986819     -9.59939420
          69
 Energy    -248.98465068968733     
  O     17.84478319     11.00573900    -14.32965763
  H     17.13242494     11.63990280    -14.19066245
  H     16.51440509      6.25664537    -10.54866944
  O     15.25120366      6.16331337    -11.95790774
  H     18.07196040     10.66622760    -13.45219442
  H     12.91094028      6.05798087     -8.81635355
  O     11.97272498      9.42212468    -12.86894347
  H     15.45328430      5.95759025    -12.88066118
  H     13.05060697      7.45031421     -9.45308588
  O     12.49533303     11.07576466    -10.72983241
  H     14.29580680      6.30197163    -11.92468928
  H     15.79425094     11.83799111    -10.48629593
  O     19.25369655      7.29986871    -11.82038090
  H     12.77654076      9.69919552    -13.33473809
  H     14.29119041     11.86145376    -10.88977350
  O     12.39381703      7.35092424    -16.21633070
  H     11.30231340      9.27377818    -13.55188433
  H     15.62132085      7.93461180    -11.99478784
  O     15.48879120      5.81056758    -14.70478232
  H     12.23020345     10.51188464    -11.47681126
  H     16.51917799      9.21307946    -11.90706929
  O     14.35547899     10.14181152    -14.00819143
  H     11.72238171     11.57322763    -10.47507397
  H     17.82354033      9.73385774    -15.48946721
  O     16.46544471      8.73949024     -8.40780653
  H     20.13108545      6.92645569    -11.82206093
  H     18.38140567      9.17174230    -16.81935616
  O     12.74546310      5.12198371    -14.44776741
  H     18.85918429      7.09006809    -12.68639977
  H     17.32117190      6.29717670    -14.41223244
  O     13.98699268      8.97912436     -9.67435378
  H     13.29327513      7.69326556    -16.29156383
  H     18.08811516      7.54684254    -14.87537514
  O     17.21326269      6.55017222     -9.94993701
  H     12.46632205      6.52833699    -15.71700667
  H     12.28997859      7.62304521    -12.41950233
  O     12.53235477      6.62945772     -9.48031081
  H     15.35133418      6.66749231    -15.13668363
  H     12.33480471      6.58774934    -11.25779894
  O     15.15198439     12.25555671    -11.07200583
  H     14.62487785      5.38063808    -14.70773856
  H     11.08885517      8.32977041    -15.51799959
  O     15.60773630      8.89986761    -11.94984100
  H     14.82556457      9.70817528    -13.27649992
  H      9.68991961      8.96000294    -15.63044717
  O     17.79893729      8.96859820    -16.09258043
  H     14.68549405     11.04634850    -14.04842855
  H     17.69188740     11.62119162     -8.79279595
  O     18.10738914      6.82621820    -14.23307766
  H     16.78196854      7.94180848     -8.85783719
  H     17.01686424     10.24792262     -9.02220374
  O     12.47361281      6.69830862    -12.20984113
  H     15.52698778      8.80723295     -8.62716854
  H     14.77202904      8.96203884    -15.29669528
  O     10.41880483      8.83802970    -15.02904167
  H     12.21541633      4.33220078    -14.37787164
  H     15.97936222      8.51711980    -16.14740681
  O     17.27560706     11.08013017     -9.45843265
  H     12.57656787      5.64394833    -13.64450504
  H     15.46816202     12.56336784    -12.75274529
  O     15.06880974      8.28735620    -15.92536203
  H     14.58092398      8.94875995    -10.43986278
  H     15.40497767     13.55363457    -13.94037396
  O     15.58845952     12.64562429    -13.71626730
  H     13.39043313      9.71848172     -9.83997137
  H     18.06035588     10.31468942    -10.95353627
  O     18.22167295      9.90037490    -11.81116446
  H     17.97182988      6.73392650    -10.51695223
  H     18.68712803      9.06340790    -11.68295413
          69
 Energy    -248.98439771112146     
  O     12.16763096      4.13932220    -12.16723214
  H     12.93460583      3.95609786    -12.72805550
  H     13.42000749     11.25071720    -10.61941332
  O     15.46757038     10.46364030    -15.54367711
  H     11.74398616      4.92527370    -12.53496495
  H     13.95693449      9.65651796    -13.13675579
  O     18.09374474      8.07032825    -13.38554370
  H     14.73900725     10.51714773    -14.90274300
  H     13.50981492     11.10579500    -12.84128438
  O     16.33382899      9.55321549     -9.24929659
  H     15.26689769     11.08114931    -16.24261140
  H     16.77825267      8.17086387    -10.36119143
  O     10.97413180      9.36859198    -13.83584986
  H     18.76543295      7.38441811    -13.48891408
  H     17.39052842      7.74027710    -11.75318112
  O     16.82137720      3.11459038    -14.98453812
  H     17.44750482      7.93243456    -14.09297021
  H     13.83611657      7.93754607    -11.70944994
  O     11.49642219      6.74239648    -13.14872085
  H     16.75870547      9.80843722     -8.43482362
  H     15.36626725      7.98540321    -11.93338450
  O     15.90923649      4.86804389    -11.12556251
  H     16.40218833     10.31605687     -9.85417655
  H     20.63534343      5.61473012    -13.64219774
  O     13.45997535      9.85708736     -9.56370550
  H     10.41262409      9.94794943    -14.34501850
  H     19.21198300      5.14598914    -13.25298986
  O     17.87090061      5.43876725    -15.91562937
  H     11.84135936      9.79838736    -13.79839211
  H     14.20774195      7.10042315    -13.72079025
  O     16.35610162     11.58853946    -10.98970474
  H     17.16254803      3.92827145    -15.39755003
  H     14.22423405      5.62787820    -14.22162756
  O     13.50672054     11.99657016    -11.24118189
  H     16.97420754      2.40562839    -15.60300317
  H     16.82737763     10.79807416    -14.18882567
  O     13.57069034     10.44765387    -13.54607405
  H     11.13946230      7.61041396    -13.38447162
  H     17.80358283      9.93328940    -13.37672489
  O     16.83370620      7.45938090    -11.01259658
  H     12.25836816      6.61831290    -13.73155734
  H     15.44584336      7.28281541    -15.27935143
  O     14.51911030      8.17775919    -12.35067643
  H     15.12964708      4.80578610    -10.56125176
  H     16.03235529      8.66290494    -15.66301392
  O     19.71113232      5.82606665    -13.74038749
  H     16.25162367      5.76993877    -11.03462661
  H     17.73800383      3.49307708    -13.32681148
  O     13.99128257      6.53179333    -14.47766121
  H     14.38203404      9.64612173     -9.37224806
  H     17.46201853      4.15351277    -11.95897828
  O     17.40808354     10.81354069    -13.42030829
  H     13.02904623      9.02693153     -9.80345781
  H     15.12144785      4.33051576    -12.68316284
  O     16.26749380      7.73986064    -15.50994614
  H     18.59987865      5.61087008    -15.30673835
  H     15.31275384      3.61873087    -14.05001810
  O     18.16796222      3.91868308    -12.57440831
  H     17.34091601      6.24606309    -15.93433378
  H     13.07561402      4.25127946     -9.09740220
  O     14.65680760      4.04152113    -13.48271847
  H     16.74976127     11.38605387    -11.85185756
  H     12.88964628      4.47267332    -10.61917242
  O     13.37059479      4.78508527     -9.83045999
  H     15.45032254     11.87262750    -11.15176803
  H     12.81578372      6.54395063    -10.21279703
  O     12.53188479      7.38231396    -10.59877601
  H     13.03228152     12.72912523    -10.85799521
  H     12.02616275      7.16727066    -11.39555381
          69
 Energy    -248.98439684782210     
  O     14.58119095     10.03713905    -14.71790059
  H     14.97878880     10.24305857    -15.57299351
  H     19.65604373      9.96609022    -10.93076916
  O     17.34388695     15.50338265    -15.88049554
  H     14.24493856     10.86983786    -14.36525494
  H     21.48828347     16.71664998    -12.29877513
  O     19.78224566     12.99604926    -10.12597885
  H     17.26826520     16.19351135    -16.53400004
  H     19.95087854     16.63717013    -12.24573105
  O     15.31184946     12.42386252    -11.30121271
  H     18.06107730     14.91054274    -16.17718077
  H     20.79629685     12.51857822    -11.56644295
  O     20.87595509      9.51046323    -12.33779822
  H     19.01010483     13.32289476    -10.61314741
  H     21.27745280     11.31703932    -12.41430580
  O     16.39191609      9.91325431    -10.47916141
  H     20.26310704     13.76472125     -9.79724927
  H     15.94520901      9.47716115    -13.70326868
  O     18.76144575     11.02453935    -16.23572269
  H     16.09066336     12.99547438    -11.33544574
  H     16.56913301      9.43615671    -12.26914956
  O     20.91755222     14.21169155    -14.25115916
  H     15.61739929     11.57328707    -10.96307946
  H     19.22387311     12.85341107    -16.61025951
  O     21.29614778     15.29310947     -9.55017738
  H     20.32281601      9.26341098    -13.09944637
  H     19.99268680     13.92252465    -15.80809038
  O     13.87712735     12.62809264    -13.57340250
  H     21.51121154      8.80839524    -12.22334354
  H     23.75211827     16.31876581    -13.65822330
  O     16.00284732     11.00088053    -17.05217999
  H     17.34989279     10.04313862    -10.35237072
  H     23.15902890     15.32674788    -12.62710985
  O     19.04609611     10.30036677    -10.26277762
  H     16.09286096      9.35976191     -9.76287117
  H     19.49240920     15.19499819    -13.68224276
  O     20.73040551     16.84330379    -11.71387449
  H     17.89621189     10.86835754    -16.63466964
  H     18.18570171     15.83783683    -14.18845943
  O     21.35623930     12.27318569    -12.31703753
  H     18.57776163     11.35708310    -15.34280110
  H     22.74335740     13.37779993    -11.67811523
  O     16.77219317      9.37117610    -13.20994219
  H     21.03704042     13.46431564    -13.64780622
  H     22.70855110     14.48665044    -10.60955163
  O     19.34404980     13.80564950    -16.51731281
  H     21.64816471     14.82174127    -14.09110329
  H     19.21317919      9.43861905    -15.17470024
  O     22.93163763     15.95984307    -13.33247619
  H     21.04622980     15.89322770    -10.27550007
  H     18.36092687      8.88524197    -14.01186551
  O     18.75221644     15.76195139    -13.41303621
  H     21.40471778     15.83264043     -8.77167373
  H     17.39796688     11.06097855    -13.54821402
  O     23.23368947     14.14099869    -11.34214818
  H     14.36206039     12.55121924    -12.73147280
  H     17.05521122     12.35725592    -14.34955743
  O     19.24830692      8.86666450    -14.39957346
  H     12.98775896     12.89110468    -13.35351119
  H     15.09240624     13.20706245    -14.81785217
  O     17.73254299     11.93181531    -13.80580389
  H     15.91384676     11.85374658    -16.59149664
  H     16.19366897     14.09363380    -15.53780333
  O     15.81766637     13.20863884    -15.45740856
  H     15.64686617     11.12240934    -17.92915918
  H     17.80901032     13.06107629    -12.44513352
  O     17.73334446     13.76187742    -11.77719307
  H     19.33193037     11.20107925    -10.05932433
  H     17.98655638     14.57740588    -12.22696074
          69
 Energy    -248.98409658043067     
  O     18.29681508     11.26643751    -17.01468177
  H     18.68995358     10.69718280    -17.68666572
  H     16.78821727      7.49486032    -16.06929427
  O     14.80720801      5.93377583    -14.15979499
  H     17.52125081     11.69034406    -17.41501234
  H     17.75994061      5.78109097    -12.87375511
  O     16.84299219     12.91775354    -11.82568608
  H     15.56077406      5.85326773    -13.54360999
  H     16.91733972      6.75932777    -12.01367348
  O     20.79677744      8.12517465    -14.08942953
  H     14.25477550      5.16955133    -14.01973342
  H     17.70322773      9.20657593    -14.72173318
  O     16.51097101      8.16498974    -18.76767582
  H     17.34925108     12.79676595    -12.63823120
  H     17.59623781      9.81320851    -16.13716066
  O     13.80111010     10.84062777    -11.54295622
  H     15.96302010     13.20709416    -12.09776844
  H     15.59996463     12.60979090    -16.98940567
  O     14.31928008      8.56254718    -13.17710583
  H     20.67109644      8.04454752    -15.05240171
  H     15.34008695     11.60850527    -18.13549745
  O     18.00449489     12.15083004    -14.32874494
  H     21.73499354      8.20909240    -13.94098311
  H     16.59203475      9.31600392    -10.98573339
  O     19.31498147      5.68534493    -13.76711173
  H     16.39316305      7.51994317    -18.05868315
  H     15.87857266      8.61596563    -12.16979971
  O     14.65473184     10.00624197    -15.50774954
  H     15.76029308      8.76810930    -18.70237425
  H     13.42222129      9.87681500    -18.52623046
  O     18.82545537      5.30749308    -16.57459502
  H     13.82431102     10.01510545    -12.04253003
  H     14.32419027      9.90001988    -17.27136758
  O     16.44032379      6.63875895    -16.36925476
  H     14.54573638     10.80290396    -10.92918459
  H     16.49171201     11.16207098     -9.20122718
  O     16.88584742      5.91438441    -12.47825073
  H     14.34374777      7.64250220    -13.46628437
  H     16.56408812     11.62114659    -10.67737163
  O     17.24415468      9.11748329    -15.56606376
  H     14.32609590      9.09385286    -13.98637518
  H     19.42649505      9.13873442    -13.41749813
  O     15.91173519     12.33574591    -17.86295382
  H     18.26524753     11.33589635    -13.87306817
  H     18.06966463      9.23351645    -12.61399887
  O     16.68407598      8.60515739    -11.63272536
  H     18.27731119     12.02430991    -15.24681104
  H     13.44438435     13.89172405    -12.35735735
  O     14.33130440      9.93629154    -18.24253168
  H     19.20484844      5.43758527    -14.69278006
  H     13.91862550     12.41951709    -12.28747887
  O     16.27469609     10.89896370    -10.09138838
  H     19.87791833      6.46817447    -13.77323883
  H     19.89585271      6.84741844    -16.76881135
  O     18.64151547      9.67774156    -13.25480352
  H     15.55130505      9.63532714    -15.51859102
  H     19.95368778      8.24179253    -17.42711060
  O     14.11871989     13.29378098    -12.66763295
  H     14.76475457     10.95216117    -15.33524028
  H     16.24661826     12.50139178    -14.79932686
  O     20.34139558      7.70360051    -16.72777521
  H     18.74946716      4.51964537    -17.10635605
  H     14.84421697     12.97665630    -14.33052700
  O     15.33470903     12.64455109    -15.09249516
  H     17.94039369      5.70781443    -16.53432859
  H     19.35548578      9.24217691    -19.68577856
  O     19.03322001      9.20355941    -18.78890769
  H     15.80865131      6.35018981    -15.70021454
  H     18.13744316      8.82406056    -18.82977975
          69
 Energy    -248.98337432920465     
  O     13.51413361      9.78591549     -9.40859922
  H     13.29631615     10.72036048     -9.30181136
  H     12.55537273      5.04929104    -14.26623803
  O     16.32676074     13.64856028    -12.71987742
  H     14.36031560      9.76278140     -9.87813088
  H     12.15657345      8.86137374    -10.17445598
  O     10.82576892     10.87436518    -13.83839604
  H     16.95471928     14.36299381    -12.66601223
  H     11.67973831      7.37304831    -10.16187282
  O     10.13023858      8.21517531    -12.95547742
  H     16.22124458     13.31374220    -11.81276802
  H     16.13738860      6.33338585    -10.85489935
  O     12.59685706     12.14479199    -12.12418577
  H     10.60059856      9.96030112    -13.63464076
  H     14.97645979      6.59379045    -11.85210433
  O     14.72143356     11.85570016    -14.00630057
  H     11.43201205     10.85129733    -14.58916552
  H     12.52876509      5.21496614    -10.05607579
  O     13.11928397     12.52755360     -9.53943205
  H      9.19563013      8.15207190    -12.77267810
  H     11.58711473      5.18237556     -8.82919841
  O     16.05723947      9.73937913    -10.60371933
  H     10.58106566      8.25862693    -12.09507909
  H     12.77232451     11.70951257    -16.53474479
  O     15.64290571      5.34695074    -14.31299559
  H     11.87096044     11.74627194    -12.62207112
  H     13.55285559     11.40639607    -15.23614154
  O     15.91172902     12.54663485    -10.24625258
  H     13.36053960     12.11600782    -12.71213489
  H     17.40187799      7.07943825     -8.71394182
  O     13.66901577      7.70748280    -12.45730605
  H     15.11069259     11.00286596    -13.76687422
  H     15.87169920      7.24911514     -8.88928060
  O     13.00080129      4.20007164    -14.10002534
  H     15.30782867     12.54588470    -13.66478277
  H     14.26902954      4.74818907    -11.28126007
  O     11.60079630      8.21443565    -10.63271578
  H     12.88330561     12.42953462    -10.48280922
  H     13.17354867      4.17385660    -12.19006984
  O     15.65051192      5.94676754    -11.59058280
  H     12.59437748     13.24395634     -9.19555205
  H     15.97859018      6.82504498    -15.16560566
  O     12.10498527      5.76788592     -9.37527133
  H     16.06847538      9.61682572    -11.56288848
  H     16.82926573      7.58464022    -16.21010109
  O     12.88488829     11.05471336    -15.85005576
  H     16.43377571      8.94630852    -10.20425055
  H     13.22023553      9.23742687    -16.07294088
  O     16.72719329      7.28349262     -9.35564846
  H     14.80678378      4.86858583    -14.34545869
  H     14.31543313      8.14074696    -16.01730352
  O     13.39537122      4.33256035    -11.26535623
  H     15.83214587      5.47207186    -13.37237950
  H     12.37987431      7.24433532    -15.12449989
  O     16.12593745      7.69622515    -15.57626513
  H     15.00858446     12.63353623     -9.91878509
  H     11.23863871      7.17627866    -14.04254820
  O     13.36537766      8.28329905    -16.10376993
  H     16.08281746     11.59717232    -10.30094087
  H     13.93999297      8.22171950     -8.47842557
  O     11.96161992      6.68404817    -14.44955960
  H     13.17763407      7.31669115    -13.19058129
  H     13.55916220      6.72895893     -8.55692638
  O     14.25194043      7.33147553     -8.26335072
  H     13.01688211      7.94123619    -11.78737753
  H     14.89410909      8.84679995    -13.03924121
  O     15.67439048      9.34092222    -13.33650776
  H     12.59737418      3.56031795    -14.68103066
  H     16.00490576      8.86230656    -14.10561252
          69
 Energy    -248.98329010232044     
  O     12.55227611      2.40923795    -12.61824620
  H     12.52462810      3.28381310    -13.02776217
  H      8.11429771      7.85564325    -11.11643183
  O     11.48470429      1.08165416     -8.33269808
  H     11.69954935      2.00025540    -12.80895900
  H     11.81334267      5.33263006    -10.46362656
  O      8.83586474      6.66523547    -14.60222680
  H     10.99498342      1.77655921     -7.85559665
  H     11.78291108      3.86933573     -9.98420415
  O     10.95708109      5.67898248     -7.46794246
  H     11.66092907      0.38814446     -7.70259119
  H     12.79975812      6.11992463     -7.28572733
  O      9.88966083      1.42818275    -12.99301013
  H      8.90368216      5.75109969    -14.29685512
  H     14.11533050      5.77371836     -8.02012393
  O     13.15190705      2.61403475     -9.97320126
  H      9.72584290      6.91297899    -14.88437041
  H     10.16782206      0.95102791     -9.70803677
  O     12.14507599      5.09177944    -13.50006292
  H     10.54011488      6.53700510     -7.61477648
  H      8.79578291      1.61810120     -9.89850897
  O      8.23023293      8.60993989    -12.80639179
  H     11.07817369      5.30035999     -8.35285463
  H     14.66903321      9.42755155     -7.76352872
  O      7.77615125      2.95538607     -9.00913543
  H      9.71016446      1.27908749    -12.04753815
  H     13.96862814      8.06410350     -7.91144024
  O     11.07598355      8.95720871    -12.76888515
  H      9.63189104      0.63225861    -13.45037048
  H     14.26428528      3.94572318     -9.62413606
  O      9.48475116      4.17228523    -13.47116497
  H     12.67348197      1.97356555     -9.43332304
  H     15.70284055      4.50882327     -9.58131050
  O      8.14077352      7.39310180    -10.26961228
  H     12.99403141      2.42753063    -10.91316407
  H      8.78131873      4.54547940    -11.81883264
  O     11.26060217      4.67968316    -10.01447520
  H     12.02326109      5.80461871    -14.13949190
  H      9.58758603      4.70512516    -10.52099397
  O     13.72061861      6.39025810     -7.39182317
  H     12.54520495      5.51243442    -12.72500113
  H     12.85040237      7.13885192    -10.84960178
  O      9.45170068      1.06756646    -10.34328753
  H      7.61096137      9.21952873    -13.19920315
  H     13.82136618      5.92017904    -10.64549557
  O     14.04950616      8.94944815     -8.30683023
  H      8.36717085      7.89611053    -13.45468661
  H      9.17719872      3.05775054     -7.70336129
  O     14.78588367      4.75548406     -9.48961958
  H      6.83866823      3.02779299     -8.85024610
  H     10.28689090      3.94826836     -7.09406133
  O      8.68337002      4.71550621    -10.87383491
  H      7.99867541      3.61886363     -9.68496827
  H     11.30018693      8.44386172     -9.55249829
  O     13.14077528      6.29330423    -11.21934418
  H     10.11481762      8.94700098    -12.68251573
  H     12.78824941      8.86192781     -9.55285560
  O      9.99476993      3.03274174     -7.19038910
  H     11.43534527      8.93021131    -11.87351256
  H     12.02070393      7.93948188    -15.61394504
  O     12.05529202      8.60290034    -10.13204985
  H      9.53005152      3.20976769    -13.41574527
  H     11.47264881      7.99990292    -14.16773857
  O     11.56954478      7.42568019    -14.95005418
  H     10.39945043      4.49027075    -13.43643139
  H      9.51393738      8.85902824     -7.85413680
  O      9.87494271      8.13641578     -8.36094411
  H      8.23748253      6.45511774    -10.48076818
  H      9.20027943      7.88690066     -9.01861504
          69
 Energy    -248.98323331798267     
  O     10.31250264     10.68672858    -10.69711109
  H     11.04480626     11.02980408    -10.15450689
  H     13.13256569     11.05905090     -8.98220244
  O     14.64391523     10.72671548    -12.47708716
  H      9.55328643     10.62140131    -10.12392510
  H     12.68102546     11.25723475    -17.05696061
  O     16.85813064     13.16084027    -14.37581966
  H     14.45034678      9.99659779    -11.87632516
  H     11.63070611     10.72555104    -18.05786381
  O     15.78076493      7.56743479    -12.93262674
  H     15.55730302     11.00741322    -12.33012571
  H     13.79552772     13.64238381    -14.07638996
  O     10.68933400     11.71309169    -13.27901370
  H     17.08880278     12.76535434    -15.22374825
  H     13.56979707     14.51901040    -15.33583854
  O     12.12548369     15.31046767    -16.02172378
  H     15.99356532     13.56922058    -14.51657294
  H     17.82119391     11.92049602    -17.60218225
  O     14.36253430     11.73346703    -16.60381628
  H     15.35279169      7.89268119    -13.73022329
  H     17.34547937     10.93260919    -16.50872321
  O     14.71997887     10.04893706     -8.76813705
  H     16.64215497      8.00519525    -12.90145394
  H     13.47747364     13.70180715    -11.05447255
  O     13.07265415     12.93933126    -12.58644424
  H     10.42568986     11.41864578    -12.39787375
  H     13.60966723     14.90575859    -10.09227984
  O     14.60245851      9.50762753    -14.91240910
  H     11.05903279     10.94059399    -13.73029272
  H     17.80512222      9.30593687    -14.76723643
  O     18.19030835      9.11638056    -12.92312377
  H     11.63497072     16.06992974    -16.32242843
  H     16.42563249      9.32214502    -15.43707792
  O     12.38910087     11.62241108     -9.22847310
  H     11.47857485     14.59026238    -15.92785263
  H     15.71022467     11.56896412     -9.43120330
  O     11.75905085     10.96222328    -17.14243845
  H     15.28068175     11.76530636    -16.90001128
  H     15.37185450     12.98984102     -9.90900799
  O     14.19691493     13.91500361    -14.91307474
  H     14.24675306     12.49666439    -16.01695602
  H     12.72825257      9.36781862    -14.70056643
  O     17.16022718     11.79237899    -16.92745790
  H     14.95353389      9.54619084     -7.99184218
  H     11.57343792      9.88023974    -15.55963069
  O     13.73017627     13.96169743    -10.15150892
  H     14.54716426      9.40484327     -9.47659416
  H     11.12015499      9.17637696    -11.51705964
  O     17.36733399      9.43820010    -15.61695383
  H     13.62674622     12.14537856    -12.51930001
  H     11.55930417      8.68758898    -12.91283388
  O     16.09213028     12.35082876     -9.84914348
  H     12.18694823     12.63587484    -12.82223143
  H     17.00083410     11.95709699    -11.34455594
  O     11.77412435      9.51891842    -14.68706365
  H     14.50087683     10.22340210    -15.55584180
  H     17.19419169     12.21737979    -12.90067519
  O     11.64041233      8.50100808    -11.97080114
  H     14.66361111      9.94137991    -14.04539480
  H     10.82504263     12.41585524    -16.28766484
  O     17.27444283     11.56497826    -12.18713986
  H     17.92517136     10.00146655    -12.61683957
  H     10.40967242     12.73968924    -14.84296910
  O     10.49289370     13.12517237    -15.72463725
  H     19.02979363      8.92352714    -12.51405357
  H     13.24681231      8.37086507    -11.22308594
  O     14.15704381      8.46682300    -10.90294718
  H     12.77337167     12.48161373     -9.44070439
  H     14.74201468      8.00315598    -11.51940068
          69
 Energy    -248.98315277196406     
  O      9.92063101     10.29141841    -10.59113273
  H     10.63792575     10.66231421    -10.04654619
  H     12.28653097     12.22300729     -9.41415360
  O     14.51009585     10.67927070    -12.71261533
  H      9.15466008     10.22112749    -10.02807512
  H     10.45992436     10.47971928    -17.89199859
  O     16.72186154     12.71798975    -14.77827053
  H     15.37563884     11.03938189    -12.48874263
  H     11.63070226     10.93070404    -16.98542381
  O     16.44489025      7.64744463    -12.29501913
  H     13.87807622     11.40782437    -12.64397205
  H     13.49071068     14.04887722    -15.52444255
  O     10.48139175     11.51693653    -13.05275975
  H     17.24643010     13.34778832    -15.26743542
  H     13.68271812     13.27003810    -14.20932628
  O     12.03486615     14.86400676    -16.15570869
  H     15.79420866     12.97631078    -14.91187334
  H     14.06206545     13.35807282     -9.90225702
  O     13.32579296     11.24082278    -16.74317408
  H     16.28702025      7.48106476    -13.23266348
  H     13.22180122     14.63250411     -9.63156464
  O     14.41438140      9.86765802     -8.92320346
  H     15.57906701      7.77076344    -11.88497513
  H     17.99375583      9.86188065    -14.13581727
  O     12.85023647     12.85170705    -12.65977720
  H     10.72742393     10.74297802    -13.58027745
  H     17.23762309     10.85900070    -15.03910682
  O     13.90833938      9.19062511    -14.94155251
  H     10.16707159     11.17694971    -12.20624173
  H     15.23980880     11.51994709     -9.42993918
  O     18.38269627      9.53294661    -12.29239736
  H     11.61334526     15.61845756    -16.55687414
  H     16.06951205     12.29753534    -10.48606823
  O     11.97218659     11.34109821     -9.18134426
  H     11.31623221     14.26137068    -15.89789735
  H     12.11949029      9.15449034    -14.70577710
  O     10.68235128     10.70302476    -16.99257263
  H     13.62496938     10.48747637    -16.21560785
  H     10.83832121      9.62276161    -15.42309080
  O     14.09376297     13.44344773    -15.06828633
  H     13.58190668     12.02563633    -16.24465963
  H     16.55588183      7.04561212    -15.82517440
  O     13.18963336     13.77195719    -10.03972492
  H     14.26445823      9.28793089     -9.68910217
  H     16.71598155      8.45545609    -15.20281369
  O     17.58578930      9.96065876    -15.00583591
  H     14.67549484      9.30362476     -8.19963145
  H     10.79223144      8.80177984    -11.43783687
  O     15.48942234     12.40605381     -9.72108892
  H     11.97334040     12.45612551    -12.76809792
  H     11.17167466      8.38403263    -12.86786821
  O     11.16534755      9.27330986    -14.58501663
  H     12.89829987     13.25909274    -11.78679078
  H     16.96157147     12.29737098    -12.96122821
  O     16.20534525      7.62637716    -15.15552682
  H     14.17725852      9.73011828    -14.18291966
  H     17.53598769     11.14041962    -12.08414481
  O     11.32016909      8.16798621    -11.93886034
  H     14.60510296      8.54049954    -15.08249336
  H     10.18753859     12.27443376    -16.04612517
  O     16.94381824     11.90536027    -12.07811944
  H     17.70596378      8.83534391    -12.21768531
  H     10.10222837     12.64215632    -14.56012662
  O     10.11315147     13.02664855    -15.44498802
  H     19.18576663      9.18067910    -11.91920820
  H     13.04727476      8.21338132    -11.42177513
  O     13.96080749      8.45878177    -11.21745382
  H     12.76251786     10.81435001     -9.01276031
  H     14.14616242      9.25367068    -11.74212214
          69
 Energy    -248.98293897826369     
  O     15.25735633      9.24992477    -16.44034335
  H     14.36697237      9.31768511    -16.06745243
  H     19.33869910      6.15857757    -12.06341888
  O     17.30277726      4.30011052    -13.19764172
  H     15.24578003      8.58838116    -17.14231601
  H     19.94962707     10.31046001    -17.46018820
  O     15.65516195     13.12640133    -11.13212932
  H     16.35713617      4.49407505    -13.19899514
  H     18.96003236      9.17084866    -17.13383352
  O     19.47286513      9.24486336    -14.14693273
  H     17.68682629      4.77655889    -12.45193711
  H     17.77613315      8.55129520    -14.42087544
  O     15.41558852      5.26743672    -16.29681937
  H     15.79321119     12.77631306    -12.02404758
  H     16.43362465      8.53501505    -15.24197567
  O     16.15349786     10.10691497     -9.11011392
  H     14.92761296     12.61275503    -10.76129799
  H     12.03948213     10.06113072    -15.33948412
  O     15.11749751      7.66838263    -12.61856468
  H     19.20312752      9.85333414    -13.44546459
  H     13.10532742      9.80093852    -14.26370216
  O     16.18629641     11.58954966    -13.41711477
  H     19.50856394      9.70367736    -14.99500263
  H     16.41560321      7.92913350    -11.36691456
  O     20.12427157      6.62256605    -13.55096156
  H     16.36256529      5.22382020    -16.11277531
  H     17.77669397      7.36739991    -10.88946022
  O     14.56864611      5.14444875    -13.53238057
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  H     18.36817678     12.96102410     -9.39996591
  O     18.09543796      5.69624348    -15.40846900
  H     16.81007231     10.80845265     -9.20103666
  H     17.12296656     12.68555692    -10.27868307
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  H     16.51627014      9.34122851     -9.57508904
  H     17.95942107      9.63146601    -11.57970461
  O     19.28587040     10.03691382    -16.83220941
  H     14.59703489      8.48122496    -12.59597889
  H     18.33089923     11.10178848    -11.24996576
  O     16.94866295      8.07598863    -14.56385520
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  H     13.19264005     11.22948717     -9.36827946
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  H     16.92478784     11.17501544    -12.95171917
  H     14.62270402     10.72879509     -9.67985565
  O     17.19585603      8.13638246    -10.83390118
  H     16.43450785     11.65011304    -14.35039491
  H     17.44388051      7.47073113    -17.94294027
  O     17.89642840     12.26994448     -9.85601227
  H     20.04762054      7.57213973    -13.72422876
  H     18.45124430      6.83456568    -16.97574757
  O     18.29918628     10.45308956    -11.96364133
  H     19.66387128      6.19491377    -14.28136844
  H     13.75391709     10.49078229    -11.80053066
  O     13.83361449     11.14732886    -10.06905171
  H     13.76436866      4.78106115    -13.17010433
  H     14.70374695     10.67838740    -13.01296100
  O     18.33750396      7.56774328    -17.59238724
  H     14.66364520      6.03721457    -13.16068033
  H     17.75255325     11.10438979    -16.36751526
  O     13.93078182     10.18355205    -12.69765370
  H     17.66697262      6.52184657    -15.12566402
  H     16.25768167     10.76719668    -16.30913926
  O     16.90555602     11.44086223    -16.05495498
  H     17.91800507      5.05761222    -14.69951704
  H     15.16326234      6.83334854    -19.06063617
  O     15.54806610      7.14165002    -18.24491885
  H     19.39353440      5.42322361    -10.70447878
  H     15.40626405      6.44047163    -17.58329863
          69
 Energy    -248.98207900266976     
  O     18.62116123      9.92275430    -14.99801406
  H     17.86226772      9.72312126    -15.55954111
  H     20.13788179      9.03320233    -15.02250711
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  H     18.65156984      3.29525367    -14.14136529
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  H     16.10718077      9.26308868    -13.24489724
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  O     11.88896304      7.83001031    -11.93545385
  H     16.09545334      7.41128462    -10.37538289
  H     18.24873481      5.95307670    -12.79402841
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  H     16.35120731      5.55944260    -14.21209031
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  O     14.19044543      9.55543764     -9.55804661
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  H     16.30160993      5.95974232    -16.25369703
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  H     12.01374836      6.75723022     -8.89750400
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  H     18.68235428      8.82828315    -12.26689804
          69
 Energy    -248.98189916180698     
  O      1.66817855     -1.31204393      5.05166422
  H      0.74895061     -1.60314678      5.19007879
  H     -5.08152025     -0.21045119      3.43820023
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  O     -0.97089425     -1.95315492      5.12117243
  H      1.42056347     -1.90459950     -2.63372590
  H     -2.13321903      3.24954787      0.72880540
  O     -0.28628607      0.27767057     -1.11722160
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  H     -1.99466759      0.34364219      3.84152303
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  H     -2.71301295      1.38975481      4.68912247
  O      2.85990143     -3.03880411      0.07830070
  H     -1.14466466     -2.29179078      4.23616122
  H      1.01621496      1.67054310      1.68106518
  O     -3.54880268      2.75996440      3.88790347
  H      0.42802329      0.36953117     -0.47125057
  H      0.52980949      1.97488564      3.13267047
  O     -3.94115794     -3.11812726      2.38962214
  H     -0.68811500     -0.58770882     -0.95631461
  H     -2.19856428      2.75160928     -1.85867194
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  H      1.15587171     -4.46590916     -2.20523005
  H     -1.48138732      1.60941812     -1.10675702
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  O     -2.24777003      0.54112545      4.75708299
  H     -3.04039780      3.11278216      3.14256360
  H      1.71985331     -1.74358114      3.24230712
  O      0.35290111      2.14736535      2.19507515
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  H     -4.45533381     -3.86198254      2.69174872
  H      2.60104841      0.14668583      0.15466164
  O     -1.62684023      0.16463959      2.07929534
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  H      1.73022863     -0.43557537      1.29788366
  O     -1.17633519     -2.33635914     -0.61887941
  H     -0.36050402      1.17219496      5.01767392
  H     -1.35371436     -1.52244883      2.16427265
  O      1.52456096     -1.95578787      2.32038032
  H      4.56767942     -0.27102183     -1.52910490
  H     -2.13266628     -2.86352241      2.28783447
  O      1.84108711      0.33191170      0.71923255
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  H     -4.05117843     -2.37656519      0.60443578
  O     -1.24302216     -2.48821660      2.23660064
  H     -5.08230262      1.17302801      1.76097616
  H     -3.04738354     -2.10462658     -0.53333854
  O     -3.93254464     -1.88219946     -0.21587215
  H     -6.49710107      1.62789945      2.19304226
  H     -3.99040929     -0.15702840      0.16835284
  O     -3.92215281      0.74425635      0.51964892
  H     -3.87619800     -0.49219973      4.34245427
  H     -3.44828431      1.29232336     -0.11770708
          69
 Energy    -248.98098188234866     
  O     11.86082143      9.50983075    -10.92903427
  H     11.59522644     10.28313639    -11.44398124
  H     13.84899445      9.94493407     -8.13649347
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  H     12.55485333      9.79046291    -10.32283824
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  H     15.79490500     10.12811854    -12.72884604
  H     11.13457932     10.73977985    -16.04978707
  O     17.14938168      7.67164044    -13.42785343
  H     14.45083795     10.90170747    -12.79753360
  H     15.73114757     13.94641166    -13.70521240
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  H     16.73681760     13.24553224    -11.63253498
  H     15.22698508     11.41513915     -9.77474122
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  H     15.01044782     12.25129088    -11.02710971
  O     15.76649126      8.23118002    -10.04982649
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  H     16.89917128     11.52387087    -16.05865515
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  H     10.81711789     12.15347157    -13.36858871
  H     17.51391903     10.11297760    -15.93965571
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  H     11.71927143      8.68233741    -14.23875161
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  H     12.69192512      9.37800414    -15.22769217
  O     14.02958580     10.08108271     -9.06354648
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  H     17.09112212      8.01734274    -15.14658771
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  H     14.45558811     12.48103147    -16.96715992
  H     17.38043710      7.60690164    -16.60987426
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  H     14.84002293     11.20303442    -16.19671790
  H     12.63161477     13.20790730    -18.65894019
  O     15.70471441     11.95277885    -10.41777678
  H     16.48789464      8.71373654    -10.46798987
  H     12.17904568     12.45957713    -17.38229172
  O     17.67743872     11.04432251    -15.74759900
  H     15.30238236      7.78371082    -10.77149485
  H     11.74359523      8.16952636    -12.03059943
  O     11.80574971      9.43083255    -14.84138038
  H     12.83248758     12.22149321    -12.45745887
  H     11.00128920      6.90134237    -12.51696988
  O     16.98118783      8.28790601    -16.07531856
  H     14.06425085     13.04386031    -12.97264325
  H     16.85564129     10.74196412    -11.16906763
  O     12.86225137     13.05032115    -17.74743652
  H     14.63842008      9.72420357    -14.76832750
  H     17.98238268     10.57025875    -12.22479057
  O     11.71433234      7.49555173    -12.73520203
  H     15.20461945      8.96386310    -15.98648944
  H      9.52340587     14.10298844    -14.45074690
  O     17.34482530     10.08168665    -11.68574040
  H     18.47225757     11.43999407    -14.27621582
  H     11.03073481     13.97000251    -14.77743642
  O     10.23547665     13.47252722    -14.51277899
  H     19.80011711     11.79518658    -13.56177339
  H     14.56744771      8.39700368    -12.63490410
  O     14.52329423      7.44679870    -12.44148092
  H     14.62551568      9.36252268     -9.33967539
  H     13.59740563      7.21260020    -12.56327776
          69
 Energy    -248.98096166548333     
  O     19.52141385     11.59422300    -10.11489398
  H     19.52606254     12.49603065     -9.80697807
  H     18.72103542     10.72282338    -11.53366337
  O     16.96018918      6.46851889     -9.61724617
  H     19.02805288     11.07534915     -9.45239993
  H     21.09213483     10.66341917    -10.66424217
  O     18.17704825      3.52037292    -12.11245732
  H     16.49693235      7.27705752     -9.36371078
  H     21.73268921      9.28672853    -10.40079928
  O     19.44968069      5.69537668    -13.31518751
  H     17.40111967      6.09873021     -8.84195032
  H     18.17261911      7.01315818    -16.32820436
  O     21.23341168      7.69554392     -9.63087540
  H     17.98832469      2.61657064    -12.35166463
  H     18.64315678      7.85874628    -15.11712803
  O     15.94088345      4.98451699    -11.65340444
  H     17.32020409      3.95546827    -11.95736038
  H     19.30184595      3.90464407    -10.55719978
  O     22.13918154      6.28948461    -12.94011815
  H     18.98636356      6.03229229    -14.09242614
  H     20.65408136      4.46798156    -10.04044187
  O     19.54230062      7.94697689     -7.41537726
  H     19.02438469      4.87869741    -13.02578035
  H     13.28273676      6.98176300    -11.77145563
  O     22.32368870      5.22163957    -10.47390688
  H     20.44571782      7.66322406    -10.19618576
  H     14.06418682      6.53997471    -13.01240991
  O     18.97129469      7.53614619    -11.24832765
  H     21.71246572      6.87567631     -9.79425298
  H     15.76301489      8.54689326    -12.68564731
  O     18.10099421     10.09031595     -8.39497340
  H     16.25832995      5.47863225    -10.88117862
  H     16.56419070      9.77295906    -12.19453421
  O     18.33674809     10.08053644    -12.14182495
  H     15.00681110      5.20750802    -11.76524053
  H     16.62569980      7.03653403    -14.30965284
  O     21.79370071     10.07294113    -10.96164182
  H     21.23661968      6.03643177    -13.18010387
  H     16.12212594      6.31623607    -13.02690440
  O     18.14611629      7.05987839    -15.37678019
  H     22.21101115      7.23337782    -13.12581626
  H     22.91763905      9.53814826    -13.84017584
  O     19.78341124      4.15644901     -9.76216829
  H     19.20541526      7.04726024     -7.34655342
  H     22.03687694      9.48306507    -12.57248141
  O     13.52846616      6.20152505    -12.28400348
  H     20.24703418      7.90225394     -8.07684160
  H     14.70118879      8.83679137     -9.34076462
  O     15.70390700      9.33602607    -12.12770357
  H     23.18078052      4.83024019    -10.32931935
  H     15.84561860      9.08643082    -10.30656106
  O     15.92491220      7.03076681    -13.64715174
  H     22.32722098      5.58208533    -11.37941865
  H     12.50797221      9.41888553    -11.21289496
  O     22.16588415      9.09401673    -13.45625875
  H     19.15013604      6.91559443    -11.96648274
  H     13.98838457      9.09817773    -11.48684061
  O     15.65843272      8.90189981     -9.37254949
  H     18.29886634      7.14446384    -10.67584215
  H     20.45571974      9.14170730    -14.23822682
  O     13.19273699      8.77955372    -11.02925584
  H     18.57965602      9.36318899     -7.96884423
  H     19.07435722      9.63576901    -13.77666111
  O     19.52837967      9.18556611    -14.50183631
  H     17.21960883      9.76126239     -8.59704851
  H     18.38518104      4.62032451     -6.96605479
  O     18.50864824      5.27182610     -7.65069452
  H     18.58877556      9.20306677    -11.81110018
  H     19.00967114      4.83888498     -8.36597117
          69
 Energy    -248.98043826918968     
  O      1.00042936     -0.17088226      2.87512643
  H      1.31366404      0.72025559      3.07271113
  H     -2.57883034      0.49673656      6.71792546
  O     -3.15320307      0.55717587     -3.04118797
  H      1.33513004     -0.41961615      1.99972969
  H      0.94580255      2.97636925      1.70385289
  O     -0.44130064     -1.59385509      4.81587544
  H     -2.25768110      0.82860568     -2.79929648
  H     -0.29475605      3.01417802      0.77547251
  O     -4.31965490      0.64649193     -0.54125722
  H     -3.11108229     -0.40355121     -3.12286585
  H     -2.95918006      1.71679866      0.03742521
  O     -2.92682212     -2.30897309     -2.71824428
  H     -0.93437071     -0.89423223      5.25980850
  H     -1.52167649      1.80966344     -0.49165196
  O     -0.57280685     -1.79517248     -1.17619878
  H      0.17917517     -1.15742781      4.21592946
  H     -0.70764822      0.02387667      2.36611481
  O     -2.85203515      3.12084609      2.86034766
  H     -4.07223608      0.75741952     -1.47112858
  H     -1.69364486      0.75141835      1.39252815
  O     -4.39585168     -2.42213334      3.73712534
  H     -4.25266727     -0.30365549     -0.37627400
  H     -3.38255465     -2.37795162      0.28314537
  O      1.54069957      2.53677322      3.40879903
  H     -3.24395080     -3.02217184     -3.26685861
  H     -4.93418961     -2.34661398      0.30753393
  O     -0.62057805      0.94639144     -1.80227793
  H     -3.45827265     -2.32497370     -1.90436145
  H      1.92467997      0.07066809     -0.21788048
  O     -3.76570837      0.40529046      3.67906002
  H     -1.22121028     -2.04862999     -1.84442921
  H      1.07770383     -1.21264643     -0.27231482
  O     -2.11897552      0.48880771      5.88149535
  H     -0.91838883     -2.14198238     -0.34086123
  H     -1.48534197      3.00781839      4.07662295
  O      0.66060053      3.11776656      0.79133374
  H     -2.66772771      2.95850171      1.92835146
  H     -1.15683563      2.01505001      5.21183494
  O     -2.09137104      2.09958195      0.23701941
  H     -3.37308919      2.36621115      3.15532955
  H      2.68446866      2.26402964     -1.52528121
  O     -1.61565031      0.03477955      2.03339320
  H     -3.56444170     -2.90897276      3.79104403
  H      1.57687822      2.30591454     -0.44239858
  O     -4.16581756     -2.18006768     -0.25193011
  H     -4.17160660     -1.49181663      3.85530313
  H     -1.53252393     -4.47312177      4.14053163
  O      1.70617045     -0.72952867      0.27612573
  H      2.23566994      2.98677206      3.88084891
  H     -1.29954718     -2.94370166      4.17193702
  O     -0.79002212      2.74058975      4.69523011
  H      0.72347167      2.65008256      3.92945018
  H     -1.77938927     -1.61246942      1.48283638
  O      1.98231143      1.75197538     -1.13425424
  H     -0.60030317      0.00932378     -1.55980083
  H     -1.78768406     -3.07651210      1.97747920
  O     -1.82713313     -3.65134404      3.75802462
  H      0.29143752      1.25784209     -1.76186912
  H     -5.56837419     -2.50690519      2.44775685
  O     -1.84028097     -2.53401310      1.18314120
  H     -4.54730235      0.46346221      3.10757045
  H     -6.95013930     -2.93000428      1.89012855
  O     -6.16875467     -2.42430949      1.68447790
  H     -2.99403008      0.24956600      3.10952926
  H     -6.09296574     -0.47917176      1.76573706
  O     -5.78094711      0.42906365      1.85905387
  H     -2.80068840      0.48669269      5.18914024
  H     -5.42353345      0.67704853      0.99587948
          69
 Energy    -248.98030321702794     
  O     14.23058553      9.65102248    -16.50116513
  H     13.63790130      9.12681442    -15.95024952
  H     21.00532442      4.22172315    -16.29057504
  O     13.47074606      3.46522140    -16.07919298
  H     14.51205746      9.07357041    -17.21956141
  H     17.35339645      7.24080412    -16.04938868
  O     17.92562428      6.31935241    -12.10534485
  H     12.63762925      3.09875222    -16.36603293
  H     17.54487194      8.78068166    -15.97862227
  O     19.03441501      6.02742537    -18.03458273
  H     13.47862986      4.39984028    -16.35271596
  H     15.42819257      5.93485841    -15.76940868
  O     16.58006483      5.25286066    -19.32084359
  H     18.63013525      6.45390755    -12.75463180
  H     16.72883176      5.16385298    -15.37473651
  O     13.84846490      6.25962417     -9.91450489
  H     17.22140180      6.93396281    -12.35930822
  H     12.73572440      7.52990716    -14.06829906
  O     14.16228442      4.11016875    -13.39255938
  H     18.27372214      5.73218516    -18.54788407
  H     11.58569703      8.21984307    -14.83435409
  O     15.87783323      7.77497195    -13.22393076
  H     18.75301431      6.83662548    -17.58471922
  H     16.39659949      2.03324217     -9.65228783
  O     17.62849763      3.54712872    -15.38961396
  H     16.55160120      4.89516770    -20.20456399
  H     15.32524517      2.94470496    -10.30110723
  O     13.68835139      3.48101635    -10.67802451
  H     16.32700323      4.53140512    -18.71764895
  H     14.27817481      6.63134663    -17.25955964
  O     15.92919603      3.29829641    -17.55430706
  H     13.58001454      6.69278070     -9.10864247
  H     13.24694666      6.71979342    -16.09094376
  O     20.14605792      4.56072504    -16.05537588
  H     14.80956909      6.11459374     -9.84608305
  H     19.19025104      7.35768626    -14.92808759
  O     17.85246657      7.98067678    -16.43192229
  H     13.94615461      3.77295670    -14.26895044
  H     19.88090948      5.99382565    -14.81373500
  O     16.27875847      6.01570431    -15.32332407
  H     15.11816147      4.02709024    -13.26764666
  H     17.27496963      4.67508654    -12.54495864
  O     12.47984875      7.89968599    -14.92932466
  H     16.05187421      7.16619219    -13.95945121
  H     16.79455531      3.33950174    -11.91421751
  O     16.28376506      2.80890856    -10.19436684
  H     14.99845785      7.54287665    -12.90630596
  H     16.54749487      4.68709291     -9.77679610
  O     13.75539895      6.10612355    -16.63780562
  H     18.54948599      3.79527182    -15.54322772
  H     17.11302104      5.95195841    -10.45148478
  O     19.57294790      6.74524994    -14.29237010
  H     17.48412124      3.47562642    -14.43561576
  H     15.84654018      6.85367808    -18.70171547
  O     16.90058909      3.80584832    -12.75184968
  H     13.69678683      3.57981448    -11.64000572
  H     16.30948559      7.88468357    -17.66207096
  O     16.49342372      5.65036529     -9.77387079
  H     13.58674346      4.37450435    -10.32741493
  H     13.60972389      5.78156346    -12.95114452
  O     15.53709911      7.59632591    -18.16462899
  H     15.07396171      3.20026835    -17.12249121
  H     13.41015628      6.62970438    -11.67193300
  O     13.35743161      6.66272503    -12.63566715
  H     16.58422886      3.24785116    -16.84298198
  H     15.76838007      9.99401726    -15.49401648
  O     16.58859747      9.90295061    -14.98827357
  H     19.81230100      5.05113460    -16.82906358
  H     16.36321754      9.34335051    -14.23403540
          69
 Ord_Energy   -248.980270    
 O   -3.39449787       5.44082594       7.59799242    
 H   -4.34300089       5.57381725       7.71824694    
 H   -3.07564354       4.94034958       8.36323166    
 O   -2.78720474      -6.38410300E-02   7.02514887    
 H   -2.93197727     -0.918462753       7.42203140    
 H   -3.61704826      0.438338965       7.11844873    
 O    2.30964661       4.04684305       7.33469200    
 H    1.53586733       3.82970524       6.78569460    
 H    3.07811451       3.93380380       6.78171921    
 O   -2.64468050       1.17626166       4.50454950    
 H   -2.58890772      0.590499997       5.26861954    
 H   -2.84306002       2.06025195       4.85619926    
 O   -1.12386513       2.02095199       8.03277779    
 H  -0.785415471       2.50913143       7.26748228    
 H   -1.60501051       1.25343347       7.70628691    
 O   -4.77159643       1.13104796       2.79288816    
 H   -4.93141603      0.252683014       2.45560622    
 H   -3.99162221       1.07143664       3.37079859    
 O   -6.81674480       4.68303823       5.46710587    
 H   -6.19757462       5.04017925       4.81818247    
 H   -6.90042591       3.74154115       5.26056242    
 O   -2.20897341       6.63245869       3.70199060    
 H   -1.78599966       6.49220610       4.56584787    
 H   -1.98737717       7.52098513       3.43370914    
 O   -1.17110097       6.15884018       6.18754292    
 H   -1.98836482       6.02296352       6.69019890    
 H  -0.478287399       6.34810972       6.83716059    
 O   -4.93850231       1.59475040       7.09957218    
 H   -4.54112577       2.28409362       6.54718208    
 H   -5.13841486       2.00998425       7.95144749    
 O  -0.322622269       2.46976352       3.52846980    
 H  -0.709371686       3.11840200       2.92155004    
 H   -1.03377330       1.85219932       3.73847961    
 O  -0.155320853       5.01408148       10.6373730    
 H   0.341814190       4.22256756       10.3613310    
 H   0.145598173       5.23626757       11.5145435    
 O   -2.50572252       3.82504058       9.63409996    
 H   -1.80267882       4.29111338       10.1028614    
 H   -2.07183719       3.13868499       9.10533142    
 O   -3.56656528       3.52455783       5.58685589    
 H   -3.41820765       4.12787247       6.32579041    
 H   -4.02542830       4.04491901       4.91532373    
 O   -2.77212299E-02   3.56941247       5.99011612    
 H  -0.468249321       4.42788649       5.97642183    
 H   -6.30113408E-02   3.19297719       5.09803772    
 O   -4.43829823       3.56816053       1.49826026    
 H   -4.58424711       2.69504499       1.89513230    
 H   -4.87708282       3.56260371      0.650690377    
 O    1.09571040       2.83503270       9.59846878    
 H   0.378303826       2.37333155       9.14371395    
 H    1.66961324       3.17345834       8.89878845    
 O   -4.69381380       5.28384113       3.71007204    
 H   -4.68560171       4.77566433       2.88853645    
 H   -3.90902877       5.84725904       3.70327592    
 O   -5.26072311       3.08670521       9.36837578    
 H   -4.36415768       3.32269692       9.64000607    
 H   -5.65134525       3.88929510       8.99940872    
 O   -6.16150331       5.43732643       7.97096634    
 H   -6.80462837       6.06849003       8.28181171    
 H   -6.45200968       5.15621567       7.08422947    
 O   0.715556026       6.28618526       8.17876244    
 H    1.39728820       5.64697361       7.93674421    
 H   0.378518999       5.99231720       9.03356934    
 O   -6.68416023       1.93963826       4.89673710    
 H   -6.23435688       1.64796841       5.70127058    
 H   -6.12244225       1.66052723       4.16671515    
 O   -1.68528450       4.35505438       2.01391125    
 H   -2.56899405       4.08273315       1.74324965    
 H   -1.80364823       5.15229225       2.54461932    
          69
 Energy    -248.98013667318151     
  O     12.57367330      2.65667465    -12.42290221
  H     12.25000807      3.48893211    -12.79224813
  H     11.28160258     10.17250956    -13.84866700
  O     13.40189959      3.23176874     -9.86493045
  H     11.79247733      2.10198206    -12.30842432
  H      9.29659783      2.87186174    -12.11617133
  O      7.97838793      6.35281307    -12.66572888
  H     13.28261546      2.97039743    -10.78886544
  H      9.86492632      4.26996612    -12.42310204
  O     14.24439056      7.76395502     -9.47456925
  H     12.65231707      3.81224150     -9.66552938
  H     11.63426553      5.74964050     -9.90184144
  O     10.41083160      7.52024003     -6.60948784
  H      8.55163912      6.60705860    -13.39905579
  H     11.73013115      5.27010392     -8.40988750
  O     10.11611087      1.21307426    -11.91843482
  H      8.16987391      5.42174623    -12.49451880
  H     11.69227281      6.16339383     -6.51134003
  O     12.90187708      1.28111536     -8.03214865
  H     14.44022587      6.90831025     -9.05306739
  H     11.95412308      4.61409865     -6.44370140
  O     11.34930717      5.13228446    -13.10873967
  H     15.07833897      8.21406726     -9.57815101
  H     11.27674011      0.79205492     -8.86364008
  O     10.44876187      9.08032592    -10.94088173
  H     10.01526796      7.94238026     -5.85109452
  H      9.79171220      1.13306559     -8.65240327
  O      7.81310165      8.16789497    -10.66831648
  H      9.67762558      7.24347755     -7.18789694
  H     12.67356680      8.65914908     -8.73987964
  O      8.78929369      2.25953222     -7.50517005
  H     10.21485698      1.02071536    -10.96908554
  H     11.39886718      8.56655634     -7.86408510
  O     10.72165353      9.42557128    -13.65340402
  H      9.90614749      0.38532157    -12.34283873
  H     13.94059328      5.36261602     -7.62565601
  O      9.06315375      3.80856732    -12.13527633
  H     13.16292124      1.94503221     -8.69383694
  H     14.39632429      4.58057284     -8.88155652
  O     11.39443524      5.04418147     -9.28766193
  H     13.68162376      0.77023913     -7.83186013
  H      9.76749962      4.48462936     -9.29668900
  O     12.33248310      5.46851230     -6.70768907
  H     11.73475104      5.73008668    -12.45145468
  H      8.72429512      4.04657124    -10.33052746
  O     10.40463663      0.71578940     -9.26979058
  H     10.93708664      5.69904136    -13.77121257
  H     12.99538240      7.21015746    -10.72031585
  O     11.81533206      9.06803759     -8.57539974
  H      9.53377459      8.81282680    -10.78671897
  H     11.56514484      7.64236966    -11.14565695
  O     14.60731159      5.34260959     -8.32811797
  H     10.87780590      9.20266424    -10.08003078
  H     11.89657505      2.34584811     -6.80594279
  O      8.83671221      4.21893878     -9.38836105
  H      7.02064142      8.68119288    -10.80297282
  H     10.42089580      2.73110778     -6.61655394
  O     12.19804339      6.91214699    -11.17674602
  H      7.83365843      7.49587398    -11.37336399
  H     10.21901244      7.89336746    -14.36050459
  O     11.31552439      2.95800941     -6.33680894
  H      7.92395177      2.15525673     -7.11873278
  H      9.74915420      7.10598014    -15.60615053
  O      9.91443937      7.02314411    -14.67046158
  H      8.71822548      2.96751080     -8.16903729
  H      8.43913441      5.85983018     -8.60690603
  O      8.40516799      6.76583016     -8.27351214
  H     10.63761894      9.40014300    -12.68629677
  H      8.15511246      7.30579931     -9.03267766
          69
 Energy    -248.97975927606331     
  O     -1.20837820     -2.75743665     -0.31194464
  H     -0.92591902     -1.83455705     -0.30138878
  H     -1.89206299     -6.21114012      0.54865848
  O     -1.87750821     -0.40426021      6.81159521
  H     -0.52729213     -3.29233044     -0.73921044
  H     -0.33164985     -4.51776062      2.34381211
  O     -2.10952814      0.07855932      2.41002962
  H     -2.64108554     -0.95495160      7.02481926
  H     -0.91758568     -3.42276572      1.37547535
  O      1.95703888     -4.43046576      5.77824816
  H     -1.13923637     -1.01380423      6.68461931
  H     -2.29083274     -4.03109259      3.07311049
  O     -4.19624409     -2.09294542      6.98628094
  H     -2.79424785     -0.60506767      2.35572827
  H     -2.97076322     -4.24709396      4.44104428
  O     -0.00737480     -2.38127386      6.04825787
  H     -2.31487132      0.61940574      3.18339278
  H      3.73723190     -5.56449493      3.08214408
  O     -0.43058504     -6.02851109      5.41353245
  H      2.67132512     -4.60404984      6.38772907
  H      2.77208804     -4.55437350      2.42628870
  O     -4.87915491     -0.65965793      4.77819311
  H      2.30995286     -4.58748038      4.88848606
  H     -4.18988846     -2.20020837      1.47118409
  O     -0.62798608     -0.02558346      0.07523470
  H     -4.91642328     -2.09492190      7.61101941
  H     -3.81821297     -2.67216293      2.88087032
  O      0.33065431     -6.20074858      2.77857020
  H     -4.51542749     -1.62796812      6.19222975
  H      1.88751236     -4.07370036      0.25063726
  O     -3.64846645     -5.79323551      1.24319302
  H      0.71820813     -3.01456636      6.06869978
  H      2.25832899     -2.78938417      1.03802579
  O     -0.96844108     -6.37948325      0.32876658
  H      0.03921887     -1.95394571      5.17794623
  H     -0.67521682     -0.78384449      3.23403380
  O     -0.77548688     -3.66210291      2.30071039
  H      0.36749441     -5.55425213      5.67744097
  H     -0.18522454     -2.23841711      3.11496767
  O     -3.13750547     -4.25890006      3.49119143
  H     -1.16851775     -5.49314158      5.72988456
  H      1.35252189     -1.10799212      2.19183018
  O      2.92064125     -5.09292708      3.22603416
  H     -4.77757307     -1.05978738      3.90421021
  H      1.10958751     -0.63114124      0.76548497
  O     -4.08059007     -1.88720319      2.38002003
  H     -4.28666035      0.10155581      4.78716509
  H      0.06053305     -5.35262506     -0.62716697
  O      2.42923412     -3.74060160      0.97369107
  H     -0.80979404      0.72551749     -0.48412935
  H      0.90316565     -5.09632871     -1.89985006
  O      0.02593197     -1.38127796      3.52074905
  H     -1.16265321      0.09092485      0.87871523
  H     -2.75469436      2.16799834      5.19262543
  O      1.76408861     -1.07236247      1.31779046
  H     -0.03794221     -6.25924837      3.67348555
  H     -2.36180388      0.71888345      5.56159698
  O      0.63855633     -4.70534036     -1.07161655
  H      1.26279217     -5.97718476      2.87897191
  H     -3.01175756     -3.45497153      6.51000749
  O     -2.73904744      1.27576117      4.85687713
  H     -4.31662281     -6.46225127      1.37406104
  H     -1.52369095     -3.43263158      6.09441679
  O     -2.31128900     -3.99565821      6.12442914
  H     -3.54559942     -5.33743508      2.09490573
  H     -3.98109855     -4.12567144      0.25807613
  O     -3.96418450     -3.20699571     -0.03491336
  H     -0.51410978     -6.51211473      1.17329836
  H     -3.03939784     -3.03236464     -0.25982127
          69
 Energy    -248.97955817219929     
  O     14.37878675      3.20316248    -10.52671959
  H     14.65668435      2.30950958    -10.29365636
  H     16.86551663      5.48291395    -15.37373360
  O     12.57312358      3.11070553    -12.64261558
  H     13.76198795      3.11874626    -11.26900922
  H     15.78256480      9.58747910    -10.73192165
  O     16.80323984      4.24721989    -11.55041643
  H     11.90461902      3.71458646    -12.29826153
  H     14.72991556      8.97534976     -9.80587093
  O     11.27032774      7.25736424    -13.43470747
  H     13.06057246      3.61559084    -13.31225136
  H     13.96783128      7.52129928    -12.59530462
  O     14.13456797      0.73480475    -12.97921212
  H     16.99124063      5.05164265    -11.04708693
  H     14.25547348      6.35787834    -11.61528087
  O     15.31942510      0.57763881    -10.35696724
  H     15.96309913      3.90724501    -11.21488583
  H     13.73197990      4.79482238    -10.05777439
  O     16.62796937      8.14095799    -13.50657372
  H     11.54403958      6.99167637    -14.32094397
  H     12.48600471      5.60660208    -10.50848109
  O     17.62579438      9.12593403    -11.18214812
  H     11.80521641      8.02632203    -13.19631049
  H     15.63446388      0.95688148    -13.88107597
  O     14.00078193      4.73397638    -14.32574301
  H     14.41267134      0.55881823    -12.07125757
  H     16.66603758      0.42227340    -14.90312446
  O     14.88908683      9.90168885    -14.87565077
  H     13.46148107      1.42439580    -12.92762234
  H     11.08209152      5.98877964    -12.27125064
  O     14.56053519      7.81764682    -16.51728498
  H     16.17689107      0.84459288    -10.73631781
  H     10.10662614      5.27805190    -11.30657495
  O     16.81284969      6.37097790    -15.74794345
  H     15.49905444     -0.10589419     -9.71798980
  H     16.75873760      4.11373384    -13.38207851
  O     14.83907983      9.60204336    -10.53186085
  H     15.97897609      7.53893194    -13.11164236
  H     16.67288286      2.96146966    -14.41920578
  O     14.46159008      6.69489815    -12.49324613
  H     16.12226006      8.81937403    -13.97449066
  H     17.49680102      2.48110614    -11.52723104
  O     13.33884383      5.68026959    -10.06235687
  H     18.44097065      9.61101803    -11.27803394
  H     17.36525568      1.32499670    -12.53813684
  O     16.51639187      1.11259534    -14.26275190
  H     17.38444724      8.80323459    -12.06791185
  H     11.82945246      5.64885808    -16.52885869
  O     11.01051769      5.27590989    -11.61088619
  H     14.88504164      4.37983756    -14.48277569
  H     12.89442120      5.57240896    -15.40872383
  O     16.63249978      3.92055515    -14.32326378
  H     14.12068970      5.46252229    -13.69543381
  H     14.13987353      6.85717143     -9.04089034
  O     17.53277494      1.51790368    -11.60716028
  H     14.73444665      9.19725494    -15.53317487
  H     14.50068411      7.47047724     -7.66769820
  O     12.29917540      6.17578659    -15.88688905
  H     15.03000591     10.70887875    -15.36188866
  H     17.37681878      7.40129062    -10.39452917
  O     14.71744883      7.50086205     -8.59592024
  H     13.76659790      7.28461957    -16.40328045
  H     16.32856190      6.81806722     -9.45004858
  O     17.04406785      6.56606288    -10.04480854
  H     15.32110963      7.23487912    -16.36918171
  H     13.70356519      9.53565062    -13.47715921
  O     13.22243579      9.16544859    -12.72560772
  H     16.96560714      6.96881582    -15.00528315
  H     13.70543952      9.42293803    -11.92436185
          69
 Energy    -248.97938920015531     
  O     15.09008215     10.11276405    -10.74138640
  H     14.97156869     10.65249996    -11.53461376
  H     16.01984849      4.84785573    -10.32099742
  O     13.29724725     10.14423706    -16.52609844
  H     15.89135693     10.38949782    -10.27869089
  H     13.74349264      9.09170968     -9.96773344
  O     17.14576364     10.22208606    -14.21564531
  H     13.49709660     11.05153954    -16.26308118
  H     12.44763984      8.35572268    -10.35615820
  O     13.02480334      5.70119639    -12.09733762
  H     13.06169188      9.67957118    -15.71318599
  H     17.95272019      6.67202182    -14.97394829
  O     17.25044579      7.65768119     -8.69876518
  H     16.29054449     10.50425479    -13.86670610
  H     17.86220244      5.35650795    -14.16988992
  O     16.63054526     11.60488153    -16.59468074
  H     17.77779493     10.27784754    -13.48494560
  H     15.18390994     12.38721654    -15.99507101
  O     16.10427598      7.77465310    -11.87778751
  H     13.58957153      5.90584423    -12.85199464
  H     14.20302685     13.57421623    -15.82935906
  O     14.62345891     11.08151197    -13.28917011
  H     13.59530910      5.74234857    -11.31969426
  H     13.63189560      8.12499837    -14.07723860
  O     18.87258051      7.43378515    -12.03927043
  H     16.40587600      7.21674307     -8.83221258
  H     12.38479909      8.65344089    -13.32765673
  O     18.74610742     10.19013339    -11.99102092
  H     17.92076669      7.02366081     -8.98442983
  H     15.30679332      9.10641015    -18.77957571
  O     16.30505733      4.32468091    -13.53510940
  H     17.00598529     11.20233426    -15.79819172
  H     14.66942621      9.53295337    -17.43510635
  O     16.76994298      4.36415243    -10.69089621
  H     16.38236896     10.86733450    -17.16449920
  H     11.86528776      7.03857921    -11.98464857
  O     13.12756119      8.40443158     -9.67523635
  H     17.06936187      7.74504542    -11.90196877
  H     10.46206686      7.68407442    -11.88257062
  O     18.45354706      6.08419091    -14.39267245
  H     15.81894227      8.62618911    -11.52249794
  H     14.18942174      6.94941246     -9.65475286
  O     14.33428650     12.65814263    -15.60182250
  H     14.48001892     11.75260874    -13.96766725
  H     15.38607553      6.76138876    -10.60817587
  O     13.04367922      8.88541736    -13.99465907
  H     14.03798121     10.34069633    -13.50428580
  H     18.23085690      5.12786301    -10.13137257
  O     15.50297122      9.26116663    -17.85958387
  H     19.05298610      6.81637885    -11.32117851
  H     19.62325412      5.10294381     -9.45273645
  O     11.39125094      7.88840635    -11.95185750
  H     18.85881774      6.93953379    -12.87253004
  H     15.31040609      7.10001711    -13.21941112
  O     14.86798185      6.30971202     -9.92115553
  H     18.41158365     10.34896010    -11.10180416
  H     15.44801289      7.05967371    -14.75565408
  O     18.97338469      5.68532382     -9.83621139
  H     18.97729778      9.24947628    -12.01279171
  H     17.81748285     10.79627462     -8.61648170
  O     14.91255871      6.71968362    -14.02355248
  H     15.76070886      5.09101673    -13.76970562
  H     17.45412535      9.37387455     -9.09898867
  O     17.51761158     10.30465394     -9.37674221
  H     15.91948341      3.57134825    -13.97832909
  H     16.91736634      8.69332328    -15.15005859
  O     16.69681998      7.92515217    -15.70021086
  H     16.61504788      4.29433858    -11.64052198
  H     16.35881400      8.27438881    -16.53345462
          69
 Energy    -248.97907872911077     
  O     13.98548917     10.62194032     -9.19794279
  H     14.49129702     11.44340796     -9.33571679
  H     16.02382522     14.60372126    -18.05687990
  O     11.08147848     10.75390289    -15.01697868
  H     14.04117785     10.41623642     -8.26850536
  H     13.40023575     13.20959648    -12.55692818
  O     14.90619850      9.07482532    -11.43550267
  H     10.90687296     11.61965250    -14.61728360
  H     13.20890761     14.35782908    -11.55002050
  O     18.36171660     13.97933250    -13.37990718
  H     11.43752833     10.91879350    -15.89781799
  H     11.95611631     13.27623933    -16.65546234
  O     11.74651421     11.37642295    -10.75548816
  H     14.65999580      9.51042447    -10.61084122
  H     11.33810464     13.90695566    -15.38807885
  O     12.83368462     10.10919650    -12.98245571
  H     14.16794508      9.23210874    -12.03993574
  H     15.35994724     12.11389976    -12.89158379
  O     14.55149224     15.38464607    -10.77691813
  H     19.24834020     14.32296008    -13.31251013
  H     14.02658355     11.37599703    -13.32292675
  O      8.94574016      9.46514900    -13.74362865
  H     18.28636092     13.55648811    -14.25470707
  H     17.47721702     13.16602144    -16.40506272
  O     14.50991585     14.30914127    -15.24583209
  H     12.03463906     12.24468927    -11.07267602
  H     17.54835629     11.87411423    -15.57074568
  O     14.87888088     11.28896524    -17.44609686
  H     12.40572853     11.08699973    -10.11256264
  H     13.14318888     11.40706431    -17.46818319
  O     10.58944380     13.22816514    -13.79499437
  H     12.35044259     10.45083798    -12.21577998
  H     11.87804873     11.33211804    -18.35180053
  O     16.07808466     13.88195552    -17.43634189
  H     12.24120208     10.17576826    -13.74220693
  H     16.42924594      9.18491867    -12.22576592
  O     12.73190345     13.67879390    -12.04177810
  H     15.07487666     15.47564821    -11.59396520
  H     17.86170874      8.65857581    -12.49208614
  O     11.94190782     14.08075093    -16.12283962
  H     14.49476486     16.25257986    -10.38691771
  H     15.68424859     11.07208153    -14.68181474
  O     14.62022978     12.11767782    -13.51642015
  H      9.66031247      9.81158143    -14.30008047
  H     16.71154509      9.96066721    -14.43534441
  O     17.99425610     12.71720147    -15.72454642
  H      8.29049293      9.11925355    -14.34518336
  H     17.20829223     11.16908910    -12.16667668
  O     12.17840684     11.53408585    -17.46942256
  H     13.59327914     14.35909761    -15.55758563
  H     17.50934517     12.69340335    -12.38951898
  O     17.26166800      9.36911175    -12.70026495
  H     14.57129360     13.50942983    -14.70572407
  H      8.97801762     10.86541269    -12.50299959
  O     16.32992216     10.50960289    -15.13070076
  H     15.39637134     10.82681276    -16.77597930
  H      9.91724938     11.47882355    -11.43939800
  O     16.92044177     12.06516476    -11.95108247
  H     15.31532757     12.14003459    -17.57766977
  H     15.41977319     15.23769729    -13.89216504
  O      9.17640674     11.68192991    -12.02367284
  H     11.29704616     13.53104955    -13.21059719
  H     16.79014945     15.05370484    -13.20175833
  O     15.92754294     15.47339278    -13.10452524
  H      9.93864835     12.80234438    -13.21596350
  H     15.12016858     13.73728841     -9.98176871
  O     15.40940068     12.84756969     -9.75031589
  H     15.51729622     14.11924034    -16.67676533
  H     16.03453074     12.58236695    -10.43945894
          69
 Energy    -248.97885135818296     
  O     10.86240944     10.57607706    -11.78515348
  H     11.62331660     10.99257974    -12.20906796
  H     15.16903495      5.95799162    -18.15186402
  O     13.74803268      7.27909982    -15.19567097
  H     10.37727390     10.12864475    -12.49021422
  H     17.85594224      6.95889732    -15.25856701
  O     17.52992742      8.88305821    -11.22215156
  H     14.15356179      6.87289541    -15.97028308
  H     17.03656293      6.75878916    -16.55889849
  O     18.20017081      9.60649591    -17.18661152
  H     14.38519092      7.94550373    -14.88674921
  H     15.17769082     13.60863053    -15.13138034
  O     12.09364222      9.51093056    -15.15624676
  H     17.26844015      8.14680029    -10.65073665
  H     15.80840399     12.20364117    -15.00569508
  O     16.28534216      6.74802535     -9.97257448
  H     16.71900174      9.39712703    -11.35165829
  H     16.08642054      9.72205603    -14.64550716
  O     13.36549997      6.14262691    -12.69636980
  H     18.16104362      8.69914267    -16.83412019
  H     15.33228981      9.32885069    -13.34799106
  O     14.98930022      9.97023367    -11.71268249
  H     18.96112125      9.64571544    -17.75974100
  H     11.02675437      9.37841999    -10.52692344
  O     15.51081095      9.08600313    -18.10579639
  H     12.56777189      8.67094252    -15.22988001
  H     10.60348401      8.81731659     -9.14700735
  O     15.92415338      5.00174749    -12.28704399
  H     11.21773331      9.30865161    -14.80563666
  H     10.75555637      7.34217902    -11.33817428
  O     17.21775743     11.11892923    -15.06890601
  H     16.22195968      6.01695822    -10.59714519
  H     11.52981969      6.49398802    -12.37131948
  O     15.30976296      6.50795781    -17.38613001
  H     15.39573115      7.12737320     -9.94863248
  H     18.48861534     10.02476248    -12.25427530
  O     17.87840241      7.08433112    -16.21502981
  H     14.15684705      5.61273653    -12.53949699
  H     19.63512395     11.01617024    -12.49384445
  O     14.96682316     12.68976916    -14.98512890
  H     13.44397916      6.49097128    -13.59631826
  H     17.64117026      7.57727184    -12.66210785
  O     15.56685340      9.02171828    -14.23502653
  H     14.32880276     10.54074690    -12.12819036
  H     16.67663253      7.67837141    -13.83061386
  O     11.11125348      8.61475519     -9.92766381
  H     14.51301164      9.27656499    -11.23268468
  H     14.14103180     11.59463761    -16.37322219
  O     10.67067648      6.89614049    -12.19025054
  H     14.89466247      9.74883657    -17.75996338
  H     13.09377098     10.47080734    -16.43767332
  O     18.85448683     10.64824238    -12.90085833
  H     16.39991300      9.39975033    -17.91029747
  H     13.57660354      7.26690084    -11.26871390
  O     17.32990052      7.08378670    -13.43026424
  H     16.33333082      4.15863164    -12.46560732
  H     12.85885453      8.09424177    -10.16653972
  O     13.78490755     10.91039427    -16.95002707
  H     16.45148857      5.67257354    -12.75264775
  H     13.72144104     11.91564902    -13.79384135
  O     13.72685670      7.84160574    -10.50401985
  H     17.62011083     10.69566319    -15.83875633
  H     12.81423994     10.67305043    -13.92599752
  O     13.14903206     11.32387928    -13.29068913
  H     17.82171305     11.00689880    -14.31913721
  H      8.83227746      8.69643705    -14.06059220
  O      9.73241629      8.87031685    -13.79970140
  H     15.33330552      7.43124938    -17.70377374
  H     10.02860171      8.10404521    -13.27595349
          69
 Energy    -248.97883589114667     
  O     15.65757722      5.81923549    -13.16912188
  H     15.86297043      5.58833756    -14.08313742
  H     17.34801144      5.17098757    -10.57376522
  O     17.37714922     12.21248354    -12.33716484
  H     15.16675840      6.65016853    -13.19286655
  H     20.92540330     10.24464650    -15.34807167
  O     21.33647345      8.66884391    -12.53748764
  H     17.88406177     12.83077117    -12.87811107
  H     21.26039217      8.84213223    -15.85510842
  O     15.87455684      7.51211332    -17.18893342
  H     17.94261373     11.43554913    -12.21966101
  H     18.29557255      8.09880751    -14.88012118
  O     13.32658631     10.84861433    -12.19244842
  H     22.21239106      8.69300924    -12.16142358
  H     17.15606760      9.16902389    -14.90077462
  O     14.71227225      8.49072810    -12.98029057
  H     21.42625913      8.93785487    -13.46917527
  H     16.50530235     10.65461228    -16.89032337
  O     18.85651838     13.59810383    -14.28881273
  H     15.53116214      8.24955612    -16.67399001
  H     16.87202740     12.13705601    -17.05211202
  O     19.76979246      6.25370195    -12.81595975
  H     16.62575784      7.86248050    -17.69191475
  H     17.47619775      9.04804689    -11.27307239
  O     15.45362948      9.67645671    -15.36546777
  H     12.49026819     11.08255072    -11.79962048
  H     16.90953424      7.67763297    -10.85342449
  O     18.90999929      6.42756090    -15.37527176
  H     14.00971036     10.98561570    -11.51018212
  H     16.10632539     11.65605857    -10.98732637
  O     16.40174859      5.25636119    -15.84401929
  H     14.07186334      9.17110804    -12.73863535
  H     15.82929257     10.23446745    -10.46206502
  O     17.45492175      5.91969568    -11.15464340
  H     15.41258657      8.53845558    -12.31258832
  H     19.74670952      9.55578657    -12.08506727
  O     21.46183872      9.46777608    -15.14722436
  H     19.61670648     14.17295328    -14.32661192
  H     18.50064732      9.49433377    -12.98612364
  O     18.04288281      8.97789839    -14.57402960
  H     19.10796251     12.76904979    -14.73121302
  H     15.90163829     12.10389456    -13.43226580
  O     17.11454979     11.24494697    -17.34564249
  H     19.06193058      6.19090104    -12.16331427
  H     14.38791410     11.78261614    -13.47800680
  O     16.67479716      8.60814889    -10.95359897
  H     20.29783032      7.03210597    -12.60293544
  H     20.97672028      7.11105413    -17.72659497
  O     15.44644530     11.11987778    -10.52895395
  H     15.15030482      9.12649142    -14.62662006
  H     19.95952206      7.17167252    -16.56265060
  O     18.82994476      9.84672371    -12.14220483
  H     15.34607945     10.58317328    -15.04431638
  H     15.86450043     13.19954631    -15.36465190
  O     15.13262737     12.06826546    -14.02036815
  H     19.23733648      6.25030962    -14.47894702
  H     17.27621385     13.78678108    -15.46468956
  O     20.50079843      7.71549516    -17.16183728
  H     18.10618400      5.91601814    -15.52200533
  H     18.98772783     10.42496153    -15.16752437
  O     16.49987029     13.56847492    -15.99329025
  H     16.15630502      6.03850595    -16.37260885
  H     18.69701245     11.34007259    -16.34845982
  O     19.30768025     11.22588303    -15.60859248
  H     16.13279608      4.48974460    -16.34263659
  H     18.92487831      8.53347536    -18.00881773
  O     18.05437826      8.73284135    -18.37110645
  H     16.81629774      5.80410184    -11.88252065
  H     17.89401945      9.67214707    -18.22063898
          69
 Energy    -248.97869463114893     
  O     11.14324363     11.15978187    -12.35438509
  H     10.59025576     10.54907542    -12.85917366
  H     19.07481410      5.53656289    -15.12954170
  O     13.74859779      7.33269317    -14.81614879
  H     11.81778047     11.47313387    -12.96823865
  H     15.39440099     12.77572620    -16.77571561
  O     17.51860931     11.21671889    -11.22237498
  H     14.22496587      6.59291502    -15.21028509
  H     16.06191941     11.55740528    -16.10060740
  O     17.86522648      8.24385424    -17.13579605
  H     14.43512267      7.99071679    -14.61799808
  H     16.31709919      9.49211212    -14.80533032
  O     11.99394779      9.30031732    -15.48679386
  H     17.60945313     12.01698510    -10.71164959
  H     15.52791460      9.65992017    -13.48146849
  O     13.42480545      6.52867852    -12.19555875
  H     16.61375277     11.21153305    -11.57950102
  H     11.47609218     10.34468348    -10.83601508
  O     14.99857287     10.85920910    -12.21845232
  H     18.14723863      7.53500247    -16.54550540
  H     11.19966988     10.18392663     -9.32125931
  O     15.32330470      7.35363598    -18.07658935
  H     17.04419204      7.94016095    -17.54288725
  H     11.03337986      8.20596659    -11.02959382
  O     15.68263387      5.06814270    -12.93644036
  H     12.53395907      8.52274055    -15.27286425
  H     11.64910685      7.03979329    -11.82736574
  O     17.47332116     10.55589301    -15.75886010
  H     11.16186810      9.19736602    -15.01035488
  H     18.69000808      9.11083154    -13.23157685
  O     15.62573340      5.56305138    -15.89723704
  H     14.12956218      5.86880475    -12.21431018
  H     18.51977931     10.52208492    -12.66266089
  O     18.34739032      6.14631735    -15.22931114
  H     13.39249914      6.85626362    -13.10630649
  H     16.88565643      7.88209799    -13.37070635
  O     15.20565361     11.98287176    -16.27937268
  H     14.62583351     10.15745199    -11.66338427
  H     17.46646795      7.61100340    -11.96400688
  O     15.76472999      9.02322382    -14.16791756
  H     14.32486527     11.15127950    -12.84694091
  H     16.03715423      8.50536464    -10.37228822
  O     11.63599343      9.77392116    -10.06306793
  H     15.12490918      7.15600010    -18.98861270
  H     17.28298238      9.39139412    -10.55028765
  O     10.83835089      7.55250304    -11.71236248
  H     14.82436517      8.15940176    -17.85474962
  H     13.17581185      9.55332123    -16.93293089
  O     18.86425560     10.03677492    -13.42437910
  H     15.57411604      5.00163218    -13.89158010
  H     14.39778365     10.45769321    -17.16907708
  O     17.54310520      7.35097839    -12.89399251
  H     16.36392438      5.73796447    -12.80572083
  H     13.93172998      7.94154170    -11.17315103
  O     16.99835520      8.47333341    -10.46752047
  H     17.69571069      9.81745380    -16.34755854
  H     13.33245624      9.07922153    -10.30492717
  O     13.97514772      9.64499159    -17.46792803
  H     18.06369317     10.50737979    -14.99298654
  H     13.88838728     11.79399040    -14.91641836
  O     14.15834760      8.73725722    -10.67046257
  H     16.56626105      5.67276273    -15.70598839
  H     12.80375503     10.72496600    -14.67763564
  O     13.24627126     11.48262435    -14.26678476
  H     15.47711752      6.06779173    -16.70958937
  H      8.88621530      8.84109932    -13.86017075
  O      9.81146581      9.03647526    -13.73939517
  H     18.18594069      6.53304996    -14.35329069
  H     10.13962574      8.43067035    -13.05055342
          69
 Energy    -248.97856583548037     
  O     12.82787155      9.85743300    -11.28411146
  H     12.24818206     10.51943349    -11.67814144
  H     14.13084372      8.87121262    -11.98692671
  O     13.53535900      6.94456143    -14.28169432
  H     12.27158324      9.17523652    -10.88488588
  H     13.99523118     14.93360720     -8.70393776
  O     11.16900240     11.86783862    -12.27302896
  H     12.97942203      6.17003022    -14.32481173
  H     13.66281921     15.51644381     -7.30888047
  O     14.49423003     10.80878636     -9.33717830
  H     13.01763825      7.66971082    -14.66398244
  H     11.08490497     12.59127267     -9.22602539
  O     14.07774166      7.00754899     -9.79909317
  H     11.90152036     12.43074807    -12.55518252
  H      9.70203555     12.00506207     -9.57125300
  O     13.02169852     15.86736596    -12.03329154
  H     10.82358446     12.22323336    -11.44235650
  H     11.77528885     10.54670675     -7.77215155
  O      8.97197039      8.41479855    -11.20559242
  H     13.89916413     10.47020772    -10.02655476
  H     12.43579096      9.18872230     -7.52050557
  O     13.45719954     13.27016563    -12.95570856
  H     14.59752495     10.09846273     -8.69343365
  H     14.27862184      7.95349383     -8.34805268
  O     14.98618772     14.95425936    -10.14600398
  H     13.12166892      7.09733682     -9.91985888
  H     14.79813112      8.18438609     -6.90854168
  O     11.40087005      7.87719276     -9.95463113
  H     14.48263221      7.31510646    -10.61917291
  H     15.97795278     11.80590025    -11.91587894
  O     11.31872421     15.33882267     -9.99534057
  H     12.83645481     16.71977390    -12.41712251
  H     15.28930736     11.89434938    -10.53597167
  O     14.84747045      8.27808549    -12.26360425
  H     12.34420720     15.71153949    -11.35021408
  H     11.92564261      9.34122285    -16.17419944
  O     13.33963584     14.92525399     -7.98326244
  H      8.16327146      7.96694201    -11.43817177
  H     12.81367181      9.86945131    -15.02823443
  O     10.31163926     12.72242862     -9.79402492
  H      9.31319829      8.82279553    -12.02191020
  H     10.30728640     10.49152543    -13.06185131
  O     11.58958403      9.59778453     -7.74368571
  H     14.16198487     12.98682947    -12.35598104
  H     10.70512774      9.36267620    -14.02161322
  O     14.28262597      8.58290028     -7.60426795
  H     13.29906088     14.20512014    -12.77608076
  H      9.72936910     10.01424762     -8.48817002
  O     15.56900308     12.42356896    -11.29750324
  H     14.44615188     15.35879022    -10.83661440
  H      8.94900522      9.72488518     -9.78707268
  O     12.16656831      9.18062630    -15.26487841
  H     15.34318368     14.14145767    -10.52579925
  H     13.76066629     11.90266779    -14.19290465
  O     10.03512228      9.61702445    -13.37833664
  H     10.53013720      7.91516116    -10.37075916
  H     14.85114233     10.82137099    -14.22768916
  O      9.05590161     10.37075027     -9.07800422
  H     11.36682025      8.42860988     -9.15921724
  H     15.93978445      9.57681663    -12.78003396
  O     14.00318851     11.06766963    -14.61384560
  H     11.89404240     15.29938073     -9.22141242
  H     17.22386290     10.11477077    -13.45255377
  O     16.37636461     10.38257912    -13.10624280
  H     10.79627557     14.52594465     -9.97719863
  H     13.23843040     11.83484716     -8.53920415
  O     12.48240900     12.26428008     -8.11379645
  H     14.48516270      7.72596956    -12.97156383
  H     12.75876117     13.16783185     -7.91637197
          69
 Energy    -248.97849924784867     
  O     12.82046661      6.70369522    -10.87103896
  H     13.48225046      6.02814555    -11.06032243
  H     16.89301098      5.84040315    -13.89015244
  O     16.85747727     10.02792038    -16.10868208
  H     13.18137379      7.29955641    -10.20322376
  H     15.46689556      8.67241632    -11.77581818
  O     17.81124121      9.00187106    -13.69840514
  H     16.66743165     10.83582307    -15.60830730
  H     16.05524644      9.02421116    -13.14219634
  O     15.85608912     12.04282178    -14.55215975
  H     15.99750479      9.61506600    -16.26947530
  H     13.49841042      8.81075527     -8.14184816
  O     14.27184573      9.00243817    -16.48787510
  H     17.86681277      8.03609811    -13.71614302
  H     13.75806427      9.53521798     -9.48331978
  O     13.16040832     11.36311257    -15.34181272
  H     17.61749548      9.30856330    -14.59243263
  H     14.49478924      3.70948966    -11.47562112
  O     16.07538854      4.69120428    -16.99655812
  H     14.92966071     11.94962385    -14.80393843
  H     14.83997378      4.67578106    -12.62879224
  O     11.37431522      7.72384021    -12.87948308
  H     15.87107549     12.14366003    -13.59308046
  H     13.67881723      9.79799521    -12.80908875
  O     17.10651170      5.93318923    -10.98515467
  H     14.03759293      8.36232217    -15.80036790
  H     12.17742534      9.41319860    -12.89034743
  O     13.71690541      7.29024245    -14.37191981
  H     13.82970740      9.82701347    -16.25215958
  H     16.65138650      7.51359477    -10.33037865
  O     15.24225572      5.03347154    -14.34019777
  H     12.94145282     10.99144382    -14.47011567
  H     15.56821164      8.38599596     -9.59131529
  O     17.76812980      6.22035881    -13.74180393
  H     12.47257972     11.98756277    -15.55808083
  H     18.59278356      6.73586025    -16.83606160
  O     15.22011737      8.84015625    -12.69373518
  H     15.85003119      5.53832107    -17.42178574
  H     17.86259786      5.39903198    -16.61739237
  O     13.78423303      8.66784062     -9.04030158
  H     15.96038936      4.01372537    -17.65775744
  H     18.05742127     10.01012602    -12.14376371
  O     14.64933596      4.62986241    -11.67713106
  H     11.84020919      7.33252208    -12.11597470
  H     17.45281806      9.77056592    -10.75143221
  O     12.78485173     10.16319471    -12.91666704
  H     10.47337415      7.41672240    -12.84377270
  H     16.51641874      7.54255908    -18.15940835
  O     16.34889662      8.41800451    -10.15388232
  H     17.52578995      6.00970880    -11.85241887
  H     15.06547428      7.77777007    -17.69061103
  O     18.62976935      5.91192122    -16.33510007
  H     16.30654903      5.41289750    -11.12537376
  H     16.30022873     13.16308324    -11.37840953
  O     17.87897545     10.44563855    -11.29894134
  H     12.82583220      7.33436962    -14.00607454
  H     16.69162401     11.67609856    -11.52317951
  O     15.64583293      7.12781253    -18.10660117
  H     14.29063663      7.76888285    -13.75094662
  H     17.82971006      9.04053547    -17.22326872
  O     15.97274806     12.31682513    -11.67370109
  H     14.64905000      5.79543947    -14.42999363
  H     18.81697431      8.81257226    -18.38867567
  O     18.20713378      8.36285593    -17.80913967
  H     15.50809315      4.78325576    -15.23381955
  H     14.52586059     11.48625989    -10.75093653
  O     13.74585314     11.01907174    -10.42524470
  H     18.24922986      6.08634646    -14.57154783
  H     13.20490146     10.86370505    -11.20991293
          69
 Energy    -248.97848849755547     
  O     19.74833385     10.13406804     -9.65173808
  H     19.12135444     10.77188803    -10.01085051
  H     20.01186053      9.45816994     -6.51349907
  O     18.00555659      5.93651161     -9.71453645
  H     19.64375121      9.32688528    -10.18158095
  H     18.27422492     11.35459480    -11.87386704
  O     18.42530559      4.27878880    -12.91650244
  H     17.36590610      5.57544001    -10.34167750
  H     17.61539929     12.54366250    -11.13242035
  O     19.08651906      6.14591212    -14.99983748
  H     18.58599732      5.22938587     -9.40775999
  H     21.53430573     10.29754003    -10.34428652
  O     22.14998864      7.32130851    -10.49132045
  H     17.56432884      4.50980945    -12.54777938
  H     22.48741832      9.12987295    -10.62876937
  O     16.08358979      5.22536383    -11.58434781
  H     18.58382221      4.87926804    -13.65451002
  H     17.10519227      8.05723193    -13.23973793
  O     21.43631037      7.18716428    -14.20667835
  H     19.13635474      5.89897728    -15.91901360
  H     18.29034352      7.49829151    -14.09620822
  O     21.17097664      6.51983646     -8.00007688
  H     19.96462515      6.49183181    -14.75222554
  H     20.54912511      3.99700399    -10.56815948
  O     14.44477883      7.61500530     -8.55518580
  H     22.53817515      6.68002764    -11.09805824
  H     19.94258069      4.04446752    -11.99415647
  O     22.82308835      5.44732462    -12.44435028
  H     21.23558295      7.45306718    -10.78863618
  H     16.63170797     10.23383450    -10.55303246
  O     19.48989685      7.80823597    -11.11710980
  H     15.37301263      5.02340963    -10.95706362
  H     16.54715736      9.02868693     -9.57794298
  O     19.71154280      8.89507073     -7.22257023
  H     15.86975426      6.09434904    -11.94721720
  H     14.61392056      8.10780775    -12.74871043
  O     17.82158601     11.61673828    -11.05049797
  H     21.97110331      6.63203314    -13.62526506
  H     15.67456218      8.43232730    -11.66556615
  O     22.34960395     10.07157375    -10.80888147
  H     21.58444040      8.10379667    -13.94724254
  H     22.49415440     10.44281836    -13.95786204
  O     18.02183279      8.20907546    -13.49982930
  H     21.63929976      6.81304157     -8.79491295
  H     22.06211502     10.02512102    -12.53528511
  O     20.77746119      4.00824614    -11.50338159
  H     20.69434604      7.28722765     -7.66530772
  H     17.45405218      7.21316316     -8.63722011
  O     16.10712068      9.45700773    -10.32521892
  H     15.33185169      7.65725227     -8.16827384
  H     17.95706706      8.31386433     -7.67354234
  O     15.47629267      7.85833523    -12.42672176
  H     14.42931367      8.35820235     -9.16247649
  H     18.66139785      9.89227074    -13.45954920
  O     21.83350771      9.94911602    -13.47795211
  H     23.55434139      4.86756827    -12.63573821
  H     20.03763216     10.56776435    -13.36326780
  O     17.17406218      7.99328855     -8.13229902
  H     22.09126609      4.88406184    -12.12661157
  H     20.44039445      5.00651766     -8.42066124
  O     19.09425917     10.73394219    -13.25440552
  H     18.99868364      7.11867450    -10.64997157
  H     20.03419220      3.54937701     -8.08398779
  O     19.97620112      4.21904031     -8.75953842
  H     19.06422502      7.93637542    -11.97256809
  H     13.53825456      4.57067593     -9.12371579
  O     14.11667584      5.09307194     -9.67290031
  H     19.77330623      9.41745760     -8.04120727
  H     14.17732081      5.96324991     -9.24650246
          69
 Energy    -248.97838965605320     
  O     11.56763475     12.66454718    -13.54660456
  H     11.33639351     11.75340058    -13.29232599
  H     18.80493081     12.31766818    -13.61899447
  O     19.76401683      8.94823483    -10.49937877
  H     10.75705441     13.09000054    -13.81356229
  H     15.23915684      7.92901473    -15.44311202
  O     16.53973470     11.16932162    -11.25361084
  H     19.84835207      8.22762303    -11.13545719
  H     14.62534973      7.14200024    -16.62565158
  O     12.89839388      8.16327774    -13.67473489
  H     18.89915734      8.83596584    -10.08728519
  H     13.97911947      9.51900452    -13.21447017
  O     16.98151580      6.81930767    -11.98993428
  H     15.89908766     10.86888818    -11.91179852
  H     14.44228836     10.95784251    -13.61758408
  O     14.14247226      6.77205447    -11.65276836
  H     16.28601744     12.07001323    -11.01293538
  H     14.88866461     11.22070753    -16.05684983
  O     19.72341905      7.07699409    -12.72152142
  H     13.26892652      7.55669929    -13.01347472
  H     14.96938420      9.74984730    -16.53101752
  O     14.06238473     12.23744130    -14.76936442
  H     13.26882581      7.94294371    -14.53700150
  H     15.23035688      8.42798050     -9.31659709
  O     19.03308923      9.22217629    -14.36974597
  H     16.69414598      7.30989702    -12.77550941
  H     14.20180036      7.91361266     -8.28352799
  O     16.88953154      8.73807215     -9.92875458
  H     17.92367997      6.66796902    -12.12654495
  H     16.80229283     13.59765283    -13.93353992
  O     18.12533700     10.84298860    -16.44649566
  H     14.04726870      7.18951950    -10.78847308
  H     15.86925051     13.96714243    -12.75305014
  O     18.38588481     12.81654699    -14.33084150
  H     15.08019857      6.55850434    -11.72970564
  H     14.64089650     13.60240629    -10.90390693
  O     14.46856481      7.87463628    -16.03461938
  H     20.46209477      6.56144553    -13.03647569
  H     15.73101701     14.47749661    -10.23608241
  O     14.61723183     10.21999688    -13.01459014
  H     19.56528272      7.76890676    -13.38450123
  H     12.91406650     12.21038338    -10.71712281
  O     15.41841615     10.59965029    -16.57673464
  H     13.17703199     12.47817610    -14.47295307
  H     12.49705683     13.10487731    -11.89990984
  O     14.28524703      8.25454917     -9.17058380
  H     14.68684256     12.91035076    -14.44844151
  H     18.21516853     11.14148420    -11.94052688
  O     15.90460417     13.88667063    -13.71187201
  H     18.86275293      9.72354472    -15.17811935
  H     19.52498352     10.40461253    -11.61175793
  O     15.60081804     13.76116686    -10.85130913
  H     19.10262591      9.86742815    -13.64796537
  H     11.56265325     10.14537345    -11.81104566
  O     12.98898093     13.10723798    -11.07080414
  H     16.79787765      9.61385822    -10.33278383
  H     11.54544520      9.37318294    -13.13405604
  O     19.11450252     10.98829259    -12.26472763
  H     16.92375208      8.08461288    -10.64288148
  H     13.38085002      9.66969267    -10.00068905
  O     11.13662168     10.12040096    -12.67797781
  H     18.43046421     11.11692629    -17.30778643
  H     13.62185908     10.34810373    -11.36411507
  O     13.03867824     10.34897660    -10.59339046
  H     17.15732155     10.75997695    -16.50879772
  H     15.88697899      9.11643750    -13.79774382
  O     16.40293049      8.38812463    -14.16895218
  H     18.32740760     12.21380807    -15.08084217
  H     17.31022053      8.69778133    -14.28880383
          69
 Energy    -248.97825904305884     
  O     11.96573789     10.55642033    -14.39207233
  H     12.26515407      9.75375744    -14.84242330
  H     20.04125679      9.63620838    -14.25634700
  O     16.50240718      7.08326611    -12.61823279
  H     12.47794203     11.27132801    -14.78844736
  H     14.85833254     10.05549969    -17.67530140
  O     17.71385156     11.19368592    -11.97989330
  H     17.35516848      7.49618314    -12.42871440
  H     16.05668938     10.76863123    -17.03008218
  O     17.53026642     10.16022679    -16.05010592
  H     15.98525410      7.15310430    -11.80663978
  H     14.78960884      8.75778268    -14.81949982
  O     12.82898923      5.92609648    -14.16091630
  H     17.52222148     11.13495402    -11.03286252
  H     15.89345011      8.29484164    -13.81562629
  O     14.16311494      9.97416263     -9.43084636
  H     16.87117918     11.37658293    -12.42140869
  H     18.36573886      8.07667786    -10.18641114
  O     15.33092858     11.45415268    -13.30733665
  H     16.88374000      9.70123544    -15.48920467
  H     18.66171255      7.48743723     -8.78852051
  O     16.42533898      6.70258374    -17.07187650
  H     18.08530223     10.69693621    -15.47158266
  H     13.76837612      7.21536913    -11.21215674
  O     15.29042031      7.45274632    -10.07010151
  H     12.10809235      5.31196425    -14.05220541
  H     13.11091617      8.36534471    -11.99246933
  O     19.01280094      7.93993800    -16.69122446
  H     12.91079905      6.41512258    -13.32177845
  H     18.78505238     11.42817501    -13.37904667
  O     15.59867526      5.46402287    -14.74509130
  H     13.72737621     10.13641254    -10.28458986
  H     19.77437833     12.24664521    -14.23677094
  O     20.19503859      8.68732655    -14.16476565
  H     13.51833438     10.16784939     -8.75469463
  H     18.35660352      9.44666667    -11.90920109
  O     15.15708170     10.91396053    -17.35230873
  H     14.87360444     11.96801764    -13.98375697
  H     19.34538464      8.47608044    -12.61142333
  O     15.63214029      9.00357129    -14.41660311
  H     15.44238474     10.56486455    -13.68419110
  H     16.00724142     10.51539500     -9.36024685
  O     17.98663871      7.92083645     -9.30426185
  H     17.33983974      6.96794194    -16.93591123
  H     17.33859794      9.76109142     -9.19454601
  O     13.13389135      7.40342762    -11.91328101
  H     16.15904065      6.20854926    -16.28144000
  H     14.19140820      7.88359136    -18.90725441
  O     19.27689716     11.43295234    -14.21760748
  H     14.89462776      8.29098254     -9.79457819
  H     15.18144258      7.67155328    -17.73643465
  O     18.73306641      8.55686919    -11.86601713
  H     16.18612943      7.46023414     -9.70946171
  H     12.55635090     10.36615274    -12.69245922
  O     16.96517667     10.62594292     -9.40283914
  H     19.51862337      8.04474208    -17.49437060
  H     13.98163695     10.72045551    -12.28520434
  O     14.44277783      8.22447799    -18.05348186
  H     18.49763650      8.75724922    -16.57725056
  H     13.65633293     13.28678204    -15.89572892
  O     13.18544350     10.27724074    -11.96167726
  H     14.64904963      5.48842953    -14.57870957
  H     14.28967466     11.91113290    -16.20002270
  O     13.86724895     12.44395307    -15.50295222
  H     16.00448810      5.88181505    -13.97423790
  H     12.99431981      7.43501375    -15.21039609
  O     13.17278652      8.31353897    -15.57043650
  H     19.87132730      8.28754387    -14.98084906
  H     13.48428990      8.21546398    -16.47946579
          69
 Energy    -248.97809939128018     
  O     -6.92960215     -2.78015165      6.49591513
  H     -6.19111164     -2.19343444      6.69419840
  H     -3.07946122      1.71171466      2.27981371
  O     -9.44619843     -2.92699552      2.69712553
  H     -7.72427477     -2.22688416      6.49949227
  H     -6.67884636     -1.08465942      3.60080505
  O     -7.37010508     -4.21294097      4.24459868
  H    -10.10775479     -2.51306048      3.26400065
  H     -7.89166277     -0.78105795      4.53966386
  O     -5.65150883      0.67714291      0.71254555
  H     -8.82812484     -3.39342022      3.27087762
  H     -4.36862994     -0.95869345      6.05935740
  O     -6.34382467      1.23248752      5.98214281
  H     -7.18887425     -3.76317893      5.08968434
  H     -4.09632834     -1.03034551      7.58135444
  O     -5.71882559      5.14313395      0.63623753
  H     -7.35926604     -5.14934929      4.42381668
  H     -2.64402041      3.82602543      1.88790764
  O     -9.09763536     -1.12143708      6.02584536
  H     -6.53359074      0.90646895      1.02900030
  H     -1.26777670      3.36185826      1.35052656
  O     -3.78496144     -1.05210365      4.44332520
  H     -5.69209609     -0.24323297      0.42492069
  H     -9.98173638      1.46107323      4.54569738
  O     -4.41802298      2.98018745     -0.38209718
  H     -5.79971282      0.62943427      6.50284446
  H     -9.81747670      1.23689740      3.02824276
  O    -11.26211390     -1.41158051      4.29661832
  H     -6.57072814      0.73289406      5.18069127
  H     -5.76211285     -2.42207638      1.95067963
  O     -6.09003478     -2.05099689      0.15572639
  H     -5.28880779      4.39245872      0.18865161
  H     -6.19448209     -3.17582500      3.25415982
  O     -3.74154129      1.14818505      2.69975877
  H     -5.93615369      5.77919591     -0.03949268
  H     -8.96986428     -1.93012671      1.29437357
  O     -7.24252345     -0.38151377      3.94783563
  H     -9.15825549     -0.18728367      6.26215138
  H     -8.68264785     -0.45272017      0.91551670
  O     -4.78728973     -0.89610420      6.93851596
  H     -9.90766961     -1.33770717      5.54580947
  H     -8.06905510      1.66619289      6.23190967
  O     -2.18301335      3.10585113      1.42020596
  H     -3.64672757     -0.27198659      3.89053141
  H     -9.26779051      2.40855536      6.86204586
  O    -10.43043285      1.11838089      3.76332412
  H     -4.31674263     -1.65619488      3.90777071
  H     -4.18282795      4.44295750      3.37464967
  O     -5.65761880     -2.45009576      2.90985505
  H     -4.86098177      2.15875993     -0.13109129
  H     -4.40721566      5.18421318      2.04064104
  O     -8.63444958     -1.35747966      0.58672156
  H     -3.57087730      2.97788358      0.08065943
  H     -4.61229153      2.36844155      3.73771413
  O     -9.03955285      1.70637283      6.25794754
  H    -12.21241045     -1.48515377      4.29675614
  H     -5.47922098      2.56589552      4.99672305
  O     -3.72898427      4.94930131      2.68700227
  H    -11.04880492     -0.49639236      4.03828442
  H     -7.95899476      2.06900729      2.06837972
  O     -5.09744000      3.03537611      4.24625654
  H     -5.97357309     -2.55800772     -0.64243583
  H     -7.89283543      0.60922651      2.64199172
  O     -8.23319984      1.15032378      1.91016378
  H     -7.04316787     -1.85350493      0.23387096
  H     -6.83274966      4.17667271      1.81506388
  O     -7.21900588      3.57770178      2.46505617
  H     -4.39931721      0.93621317      2.02232499
  H     -6.53357457      3.43588791      3.13149643
          69
 Ord_Energy   -248.977997    
 O   -3.57826829      0.471957982       5.65157557    
 H   -4.45542669       6.74771369E-02   5.64742422    
 H   -3.45141697      0.878242135       6.51922560    
 O   -7.91242599       4.75580502       4.01874733    
 H   -8.77769947       4.97782707       4.35161066    
 H   -7.33448410       4.63225937       4.79256821    
 O   -4.12611580       6.05958462       6.47945642    
 H   -3.97950506       6.51628399       5.64375067    
 H   -3.38933730       5.43776226       6.58543015    
 O  -0.561666310       2.88574171     -0.259573817    
 H    2.66972999E-03   3.27561617     -0.921785295    
 H   -3.68460603E-02   2.83419943      0.560045779    
 O   -6.17154264       1.88332057       7.42171717    
 H   -6.34953260       1.21415365       6.75080204    
 H   -6.29563951       2.74507570       6.99936008    
 O   -2.76717544       4.60909700       3.20154524    
 H   -3.40215564       4.02056074       3.63994837    
 H   -3.01812768       5.51480579       3.41732478    
 O   -3.09941506       3.49274564      0.737897873    
 H   -2.91690254       3.93873000       1.57979274    
 H   -2.25105214       3.33799505      0.304276139    
 O   -1.75580990      0.522019863       3.65332651    
 H   -2.31613946      0.365264088       4.42576551    
 H   -2.35225201      0.628882349       2.89907813    
 O   -4.55017376       2.78376412       4.22031403    
 H   -4.21981001       1.97954023       4.63629484    
 H   -5.22811556       2.54427624       3.57631040    
 O   -6.09040689       4.27020836       5.96308994    
 H   -5.53038502       3.73117304       5.38420963    
 H   -5.51423550       4.98219109       6.27946854    
 O   -2.19773769       4.05619001       6.70571804    
 H   -2.57831669       3.30713487       7.17847919    
 H   -1.60246134       3.69322062       6.04056883    
 O   -3.83159876       7.11633921       3.80518222    
 H   -3.63504052       8.02405167       3.58980131    
 H   -4.65249395       6.88574505       3.33480716    
 O  -0.759094477       3.09360433       4.35390425    
 H   -1.37202942       3.71573687       3.93354630    
 H   -1.09666181       2.20814395       4.16090298    
 O   0.820928752       2.55561662       2.04494953    
 H   0.901365578       1.59795046       2.14016986    
 H   0.435386926       2.87022090       2.87255025    
 O   0.503911734     -0.265163988       2.34007311    
 H  -0.271126628      -6.86847493E-02   2.89555788    
 H   0.971052170     -0.980971336       2.76245379    
 O   -5.65387154       4.34890223      0.374105722    
 H   -5.88296556       4.42258883     -0.548886120    
 H   -4.72572136       4.06096506      0.412019491    
 O   -6.25646496     -0.266018569       5.42922640    
 H   -6.74585485      -1.07240975       5.57017136    
 H   -6.17433119     -0.157155946       4.46446943    
 O   -3.45969033      0.769377112       1.45173371    
 H   -3.45320654       1.71037662       1.23495007    
 H   -2.78703523      0.365484118      0.882885814    
 O   -1.19641256       7.68024325E-02   3.93914618E-02
 H  -0.544877648     -0.178798094      0.704328477    
 H  -0.960295975      0.977373958     -0.216238752    
 O   -6.77503252       2.73740530       2.39745855    
 H   -7.28844738       3.35622740       2.93172288    
 H   -6.44943190       3.23577952       1.63708282    
 O   -6.04810619       6.28283834       2.47054148    
 H   -6.74282503       5.86130953       2.99083114    
 H   -5.90624666       5.71323156       1.70520806    
 O   -3.52266264       1.85895514       8.05335426    
 H   -3.36369872       1.72100544       8.98330975    
 H   -4.48830652       1.90789807       7.93637371    
 O   -5.89470434      0.158079490       2.77773309    
 H   -5.05945444      0.216117576       2.29571414    
 H   -6.39268208      0.950856090       2.53299308    
          69
 Energy    -248.97716288415700     
  O     13.56377909      2.30918641    -10.47796929
  H     14.02925860      1.46703200    -10.40488624
  H     14.96784580      4.31415170    -15.40042417
  O     12.81021144      2.10536794    -13.15329463
  H     14.24721833      2.99671032    -10.49692106
  H     12.66046682      7.08580144     -8.88211725
  O     16.96031123      3.66801634    -12.94005948
  H     13.03177451      2.17920887    -12.21346932
  H     13.54445271      8.04691145     -9.72123240
  O     17.07443792      6.29053527    -13.98147829
  H     12.28782823      2.88755530    -13.37128953
  H     13.08048205      6.31961866    -10.99981328
  O     10.83864745      7.89586108    -11.75752687
  H     16.29878068      3.30609302    -13.54840479
  H     13.54095824      6.59846905    -12.43646814
  O     13.88678568     -0.50980521    -13.15850735
  H     17.14256344      4.56397992    -13.25063991
  H     11.04061790      4.37417094    -10.05030944
  O     15.06251267     -0.05451228    -10.74135892
  H     17.82571141      6.73266445    -14.36903632
  H     12.20322406      3.37764373     -9.75439312
  O     15.63022145      8.17807836    -12.68925293
  H     16.58200635      6.96843160    -13.48547646
  H     16.66447491      0.28626885    -13.93768568
  O     15.38248583      8.41885921     -9.84671305
  H     10.39552736      7.04465770    -11.67606046
  H     16.80422545     -0.46261086    -15.28654426
  O     12.42953635      6.23792148    -15.66248973
  H     11.37070899      7.97347846    -10.95187521
  H      9.02468579      4.79795079    -11.59673047
  O     12.98215969      8.04075162    -13.53734538
  H     13.35511515      0.29035598    -13.26942702
  H     10.42011601      4.87621266    -12.25378920
  O     14.92669721      5.26258237    -15.58523533
  H     14.59559300     -0.45245789    -13.81157352
  H     14.77293918      4.90553168    -11.15273156
  O     12.66894236      7.64120976     -9.67194817
  H     15.14113984     -0.84230237    -10.20953181
  H     16.05201926      4.07031459    -11.43048500
  O     13.45470474      5.89326945    -11.78153445
  H     14.62302395     -0.31696256    -11.57016601
  H     15.44563700      1.75830111    -14.91080289
  O     11.64601038      4.06564750     -9.36707834
  H     14.74625487      8.34252423    -13.04545247
  H     14.26678650      2.45184356    -14.17886907
  O     16.19645118      0.04749787    -14.75885106
  H     15.56726373      8.27354425    -11.73129830
  H     16.60859709      0.67183577    -11.71489737
  O      9.91703023      5.10614418    -11.45517450
  H     15.54286208      7.58164887     -9.37473481
  H     17.31120981      1.85325163    -12.44059135
  O     15.42219519      4.31344086    -10.74079245
  H     15.85106182      9.09836663     -9.36877562
  H     12.33271482      4.98570996    -12.86054169
  O     15.06020203      2.61904463    -14.70719336
  H     12.15654719      6.39078378    -16.56256560
  H     11.80014483      5.11515512    -14.30748499
  O     17.25274068      0.88981035    -12.39928850
  H     13.34450061      5.90044103    -15.69620185
  H     12.49685139      5.61169126     -6.75311662
  O     11.69040610      4.61697594    -13.48860599
  H     12.18168341      8.09041368    -12.99237373
  H     12.40640868      5.08167823     -8.20389262
  O     12.85917946      5.72430284     -7.62739096
  H     12.74967310      7.56035097    -14.34069951
  H     14.70795359      5.87005378     -8.12885176
  O     15.55274546      6.03775000     -8.56451165
  H     15.66422400      5.66154655    -15.10993201
  H     15.63974024      5.35752914     -9.24750991
          69
 Energy    -248.97713544166663     
  O     17.42924677     11.28437686    -16.59088485
  H     16.62562215     11.38754161    -16.06031251
  H     17.58293680      4.79138208    -12.68894009
  O     15.14229428      6.32491356    -13.79769464
  H     17.19571173     10.72784102    -17.34108648
  H     18.04061929      6.60955902    -17.76848280
  O     18.53775473      7.77233707    -11.56249253
  H     15.77665699      6.77000656    -14.37866460
  H     17.99023658      8.14086787    -18.04207687
  O     17.00356943      5.18323494    -17.90048333
  H     15.62322800      6.07303703    -12.99799086
  H     15.95914232      8.15960904    -15.95792169
  O     14.13574586      5.76588444    -17.79650974
  H     19.25203864      7.27381087    -11.97692208
  H     17.40868161      7.63849504    -16.04078153
  O     13.76175981      8.38941161    -12.66416543
  H     18.28484486      8.43186535    -12.22734144
  H     15.29333832     11.36639842    -14.05237180
  O     17.82247289      9.53460044    -13.53019773
  H     17.09736329      4.54971466    -17.17700108
  H     14.34698317     10.88193072    -15.14702335
  O     17.11317911      3.38839468    -15.68911087
  H     16.06152274      5.37329042    -17.96616561
  H     12.03371270      9.76339266    -15.05859334
  O     14.51648226      7.42166634    -10.07843742
  H     14.15996386      5.21791793    -16.99076241
  H     13.14200732      9.11659970    -14.20404229
  O     20.26599308      7.98503815    -15.49774468
  H     13.54522968      5.33140819    -18.40617827
  H     20.28115525      6.95528820    -14.09386935
  O     14.42955276      4.30953529    -15.55468058
  H     14.19490311      7.65835987    -13.13327142
  H     21.18987583      6.08525098    -13.19921286
  O     18.12298502      4.54007157    -13.44674133
  H     13.79321883      8.13397334    -11.73497138
  H     15.81602433      6.20093088    -10.88894549
  O     18.46781391      7.45575576    -17.55994522
  H     18.51284815     10.04230796    -13.97212806
  H     17.22642059      6.52005585    -11.43632320
  O     16.70664278      7.86893339    -15.41998368
  H     17.41887290      8.96965288    -14.20597986
  H     17.37278342      8.77216242    -10.34081405
  O     15.12878571     11.42410677    -15.00175341
  H     17.46692515      2.50319275    -15.71881049
  H     16.29582510      9.83560706    -10.65693156
  O     12.94496961      9.47999594    -15.08260221
  H     17.48218980      3.80560302    -14.89085776
  H     15.85284553      9.11817684    -18.19119815
  O     20.29005139      6.38303476    -13.30592507
  H     15.23387259      8.06845815     -9.94852930
  H     16.41229046      9.65230556    -19.52924037
  O     16.52182518      5.85373719    -11.44645894
  H     14.10252572      7.29753270     -9.22849518
  H     14.95581498      9.86104050    -12.42854427
  O     16.57367599      9.18831813     -9.99472664
  H     20.17462245      8.94156759    -15.41373784
  H     16.42078947     10.25921799    -12.73673724
  O     16.66104141      9.42057189    -18.63764143
  H     19.77916123      7.74373911    -16.29753522
  H     20.22167769     11.55184179    -15.16917347
  O     15.60678125     10.56418705    -12.30312521
  H     15.27596703      3.84658317    -15.59768379
  H     18.89818227     10.99786927    -15.75124198
  O     19.67191232     10.77419382    -15.20050712
  H     14.54271033      4.97379453    -14.85943148
  H     13.91146222      8.75972916    -16.50756590
  O     14.56178935      8.43046919    -17.14001228
  H     18.88393090      5.13423182    -13.44321765
  H     14.33530529      7.51714437    -17.36839999
          69
 Energy    -248.97713497952827     
  O     11.91560218     10.72278165    -15.93180852
  H     12.22895372     11.56035636    -15.56978663
  H     15.36787641      6.08515525    -16.06580914
  O     15.41896320      7.05186035    -13.13611364
  H     11.43236864     10.27175226    -15.22873392
  H     18.60618695      8.11346671    -13.66907777
  O     16.13397096     11.86328052    -11.58430643
  H     14.54491774      6.84660172    -12.77922130
  H     18.15795763      8.24341067    -12.18818818
  O     17.31940279     10.88758656    -13.99592057
  H     15.98336989      7.27262293    -12.38433459
  H     16.35973360     12.24252221    -15.09529457
  O     13.62503527      6.52433673    -16.72882059
  H     16.68619380     11.66968995    -12.35056633
  H     15.78491477     12.08187039    -16.51487809
  O     13.65927787      8.84099020     -9.26041721
  H     15.22272510     11.79463410    -11.90296157
  H     14.62811384      9.35780255    -15.22750181
  O     12.97218661      6.63986540    -11.94217852
  H     16.48424047     10.41843277    -14.16002413
  H     15.13806574      8.60896179    -13.95336801
  O     13.67369039     11.30111519    -12.75535576
  H     17.88901398     10.24007131    -13.55095561
  H     10.95567516      8.26809369    -14.23436728
  O     18.05785624      9.77927562    -16.52063419
  H     13.26544032      6.16650256    -17.53710934
  H      9.59944707      8.99111592    -14.06738006
  O     14.56713158      6.31628741     -9.60183157
  H     13.73221252      7.48121641    -16.87084036
  H     16.68300979      8.50613720    -10.40836118
  O     18.58306003      7.22888914    -15.39737164
  H     14.45021631      9.38843246     -9.34987049
  H     16.21516245      7.04249521    -10.36706521
  O     16.18119981      6.00623894    -15.55612625
  H     13.05011557      9.10398411     -9.96159791
  H     12.44281390      6.60561888    -15.21656775
  O     18.57935266      8.71572086    -12.91410967
  H     13.40962533      6.35178224    -11.13179111
  H     12.20078900      6.51420861    -13.68198967
  O     15.70338947     12.59959487    -15.70404491
  H     12.68992383      7.55547200    -11.79560550
  H     16.21202918     10.76401486    -10.26533516
  O     14.97545489      9.48098784    -14.33674336
  H     13.38226208     12.00142276    -13.35092011
  H     16.68006021     10.46438285     -8.82338891
  O     10.54147305      9.11215500    -13.97716709
  H     14.09484076     10.62945630    -13.31687164
  H     16.28956003     11.08285799    -18.80143776
  O     16.82223466      7.64169158    -10.82000928
  H     17.97326205     10.26907347    -15.69325360
  H     16.77919340     10.39068145    -17.50542611
  O     11.79948493      6.77831040    -14.51982015
  H     18.27181701      8.87613628    -16.25652040
  H     12.68670220     10.06449790    -11.92223994
  O     16.20859087     10.09005597     -9.56317851
  H     14.45557847      5.77351397     -8.82594259
  H     11.45102187      9.25633206    -12.31390047
  O     16.01030191     10.81349490    -17.93057215
  H     14.21613657      7.19949740     -9.38204409
  H     14.07019054     12.95270390    -15.17583851
  O     12.13904706      9.31699778    -11.63948418
  H     17.73790956      6.76108314    -15.51895225
  H     12.95132744     13.99522251    -14.94200638
  O     13.15675556     13.06819964    -14.85757952
  H     19.27210421      6.61251037    -15.63184265
  H     14.58840886      9.76865651    -17.38019267
  O     13.93486115      9.21685576    -16.93391308
  H     15.93411595      6.25357561    -14.65189856
  H     13.17658564      9.76877602    -16.68224927
          69
 Energy    -248.97689363779284     
  O     12.94017053     11.94589887    -12.44775804
  H     13.58905093     11.82783587    -11.73932098
  H     18.72884272      6.28151940    -15.13426484
  O     19.97206901      6.81670639    -11.77887978
  H     13.10847109     11.26431258    -13.11302967
  H     18.00644678     12.66396021    -15.90413002
  O     18.40163377     10.95547456    -11.81600392
  H     20.71365208      6.41943101    -11.33031764
  H     19.16175548     13.68562140    -16.01264733
  O     11.81776570      9.17787773    -12.42688073
  H     20.33376629      7.31670040    -12.53268043
  H     12.49904065      9.60529276    -14.06721312
  O     15.88974053      7.08971856    -12.51570035
  H     17.62871291     10.94149729    -12.40669889
  H     13.86544571      9.44962136    -14.78543291
  O     13.57530986      7.49312048    -10.92168097
  H     18.27763019     11.73269450    -11.25991405
  H     15.84196379     10.17562850    -13.77450117
  O     18.08149292      5.69734005    -13.62280203
  H     11.85171047     10.04761384    -12.01787930
  H     15.74855595     11.73584447    -13.67194019
  O     14.74132660     13.29387958    -14.13321072
  H     12.39464808      8.60654017    -11.90263855
  H     13.56338645     11.23378026    -15.89388296
  O     17.88731889      9.18338513    -15.92488217
  H     16.53181561      7.56819368    -11.97013640
  H     13.34144639     12.09204176    -17.16042566
  O     17.80135128      8.38827296    -10.93127957
  H     15.05550025      7.09333061    -12.03179941
  H     16.26245226      8.76585293     -9.86903817
  O     16.82343262     11.68570114    -16.72886078
  H     13.18483382      6.84318653    -10.34233671
  H     15.26123122      9.94110459     -9.84179694
  O     19.16048132      6.69932473    -15.90150893
  H     14.16657305      8.03968204    -10.37259121
  H     20.55481632      9.05034847    -14.12885934
  O     18.71330311     13.10702623    -15.40077369
  H     17.23168679      6.01765133    -13.29438184
  H     20.39130930      7.64454106    -14.74427396
  O     13.08500651     10.01991975    -14.71492544
  H     18.72566416      5.92126269    -12.93927255
  H     16.31835498     14.04239080    -13.52571144
  O     16.09931703     10.94234732    -13.25003102
  H     14.02827357     13.05835347    -13.52372211
  H     17.80228305     13.85463810    -13.88975460
  O     13.96593009     11.91395114    -16.46182863
  H     14.46217811     13.00571325    -15.01101977
  H     17.71204269     14.03454463    -10.05233632
  O     15.37021059      9.01298953     -9.59411920
  H     18.31038878      8.32744685    -16.06850976
  H     17.35966526     13.68925475    -11.51888418
  O     20.80019090      8.12316389    -14.01269951
  H     18.46493400      9.67748962    -15.32609936
  H     19.34420305     10.76736784    -13.35213718
  O     17.21685100     14.16244367    -13.18788737
  H     18.56693547      7.82318458    -11.09412441
  H     19.46936138     11.53973331    -14.68075037
  O     17.41589109     13.32537509    -10.61596550
  H     18.06672263      9.28561877    -11.17637867
  H     15.44736786     11.22650774    -11.59300914
  O     19.63080610     10.68008631    -14.27262197
  H     17.09740043     10.76539585    -16.62105762
  H     15.80898055     12.24194214    -10.50331497
  O     15.15563709     11.57087102    -10.73401960
  H     15.86013453     11.70003216    -16.72310646
  H     15.60242467      8.03884499    -14.00248052
  O     15.46192594      8.67299410    -14.71988333
  H     19.35720619      6.00273304    -16.52160180
  H     16.29102704      8.76085352    -15.20909591
          69
 Energy    -248.97678474607133     
  O     -2.22573032     -2.73214480      2.37450915
  H     -1.73623253     -2.34057116      3.11146872
  H     -2.42128220     -0.62325064     -0.95982449
  O      2.17693557      1.34137220      2.32839183
  H     -1.60995941     -2.74822700      1.63158591
  H     -0.05082104     -0.84378731      4.46447432
  O      1.44760102     -0.35263396      0.29997567
  H      1.95617299      0.73514419      1.60632413
  H     -1.52283786     -0.85346421      4.95135249
  O     -0.58999694      2.52946238      0.17726873
  H      1.66456457      2.15273515      2.21586322
  H     -1.46921255      1.50628192      2.69001936
  O      0.76350951      3.78680191      2.21181563
  H      1.16617335      0.05809303     -0.52591721
  H     -1.20598139     -0.01444777      2.77303481
  O     -4.38243893      0.53510091      4.16508301
  H      0.89248798     -1.13438063      0.40334580
  H      1.58392202      0.59931104      3.87211751
  O     -3.44538246      2.87896406      0.39809295
  H     -0.05689392      3.14310213      0.70049320
  H      2.06190495      0.50912607      5.34517417
  O      3.35257031      1.44766067      6.21021340
  H     -0.76583481      1.77719742      0.76320224
  H      3.30898554      3.87993912      4.02078325
  O     -0.36963295     -2.60393859      0.23115850
  H      1.40568268      4.18052589      2.81943709
  H      2.21850449      4.30275749      5.02138212
  O      1.50632415      3.63350477      6.68308995
  H     -0.05158708      3.65688323      2.71894083
  H     -3.81614773     -2.05862488      2.31403798
  O      0.21351339      1.00838855     -1.92929804
  H     -4.40808087      1.38325556      3.70708286
  H     -5.34916836     -2.26391049      2.24937403
  O     -1.73486639     -1.03387901     -1.50360915
  H     -4.53345177     -0.15424105      3.50658721
  H     -1.28380419      2.78600697      4.51453953
  O     -0.93413119     -1.18246597      4.26126575
  H     -3.62469169      1.93901657      0.24869879
  H     -2.46649116      3.22178541      3.56736494
  O     -1.37568031      0.70566920      2.15598256
  H     -2.50301697      2.98390310      0.22154711
  H      5.18832611      2.20013513      3.20204659
  O      1.33209940      0.28426580      4.75149053
  H      3.85121942      1.73442323      5.43328823
  H      3.67380539      1.90122262      3.13333388
  O      2.58050307      4.50022344      4.14899498
  H      2.85294668      2.22063441      6.50047207
  H     -4.91977481      3.80078230      3.05765284
  O     -4.67269089     -1.59318202      2.27973989
  H     -0.04100240     -3.38668066     -0.20464057
  H     -3.99512202      3.09721713      2.03655293
  O     -1.51148897      3.09845883      3.62895078
  H     -0.87995993     -2.10756096     -0.43384858
  H     -2.72014183      0.28081742      1.02306962
  O      4.36998059      2.30377604      3.68048488
  H      0.71247501      3.10087053      6.51589807
  H     -4.04460233     -0.48613508      0.89239673
  O     -4.23503518      3.14180924      2.97971880
  H      1.33107739      4.14477829      7.46965723
  H     -1.30029168      1.35012792      6.18778393
  O     -3.45226327      0.10246497      0.41108937
  H      0.52760434      1.50522154     -2.67999275
  H      0.09851569      1.35557327      5.52015109
  O     -0.55733238      1.92192522      5.95734753
  H     -0.07213600      1.65673988     -1.26242007
  H     -3.31366166      0.26056494      5.47475566
  O     -2.64853036      0.07592437      6.16326939
  H     -1.13835754     -0.32704923     -1.77977773
  H     -3.10552017     -0.35157821      6.88243362
          69
 Energy    -248.97668237179622     
  O      0.77405686      0.14815252      3.04534996
  H      0.75940620      1.10222035      3.18582817
  H     -2.31847333      0.03525528      7.13841725
  O     -2.73648609      0.02762451     -3.53052901
  H      1.20353086     -0.03101445      2.19455240
  H     -0.99101216      2.72014188      0.50012290
  O     -0.18784566     -1.68677995      4.91134451
  H     -1.90474878      0.26776250     -3.08726776
  H     -0.00225825      3.16220723      1.60257819
  O     -4.30823817     -0.04882029     -1.16547016
  H     -2.71153385      0.42773160     -4.39589563
  H     -1.55854482      1.07911970     -0.65559068
  O     -2.09681556     -2.69052104     -2.69988313
  H      0.29480601     -1.11179632      4.30069047
  H     -3.04998990      1.01285756     -0.31389332
  O      0.00279719     -2.03496999     -1.00220313
  H     -0.68242023     -1.09324860      5.48693462
  H     -2.01116343      0.36991825      1.49595862
  O     -4.10159622     -3.23778036      3.74315332
  H     -4.10023618     -0.95741014     -0.89839405
  H     -0.94767990     -0.07342110      2.54931335
  O      0.26981606      2.91148321      3.43078023
  H     -3.94973283      0.05237210     -2.05510964
  H     -4.48931585     -2.78888153      0.23029171
  O     -0.47963800      0.48973918     -2.02541742
  H     -2.74988943     -2.83577003     -2.00198702
  H     -2.94744893     -2.76987860      0.18469768
  O     -4.82606136      1.80353332      3.38007716
  H     -2.37260014     -1.88031286     -3.14323584
  H      1.84039558      0.44794504     -0.00591464
  O     -3.66706195     -0.55488317      4.26470959
  H     -0.39775708     -2.33497181     -0.17389403
  H      1.33209061     -1.00893083     -0.00826330
  O     -1.96268752      0.14556973      6.25992304
  H     -0.57671401     -2.37908011     -1.69828587
  H     -3.00340153      2.28711355      4.06528394
  O     -0.15928390      3.18841771      0.65071781
  H     -4.02517676     -2.32147610      4.04715280
  H     -2.07195346      1.74932611      5.17509484
  O     -2.20776956      1.36098082      0.00455060
  H     -3.20599099     -3.59269987      3.77327455
  H      1.03024224      2.53745273     -0.43092470
  O     -1.84995676     -0.22823436      2.23701525
  H      0.71882953      3.54543916      3.98396384
  H      2.27515801      2.66674709     -1.34546172
  O     -3.73863046     -2.66693757     -0.36381255
  H     -0.62121441      2.79511448      3.80633761
  H     -0.85317880     -4.67733544      4.12892298
  O      1.76870819     -0.34508734      0.53876431
  H      0.28628952      1.05222172     -1.85793792
  H     -0.89102938     -3.13548863      4.22428588
  O     -2.16871782      2.45050094      4.51853028
  H     -0.27693835     -0.38897262     -1.66922572
  H     -1.35497717     -3.29726947      2.02285460
  O      1.61248700      2.05214809     -1.04397622
  H     -5.54227561      2.41049411      3.54794359
  H     -1.62924554     -1.84721117      1.57556137
  O     -1.30541180     -3.90641995      3.79683611
  H     -5.08655552      1.28443539      2.59756059
  H     -6.52671601     -3.19855596      1.71569361
  O     -1.46875345     -2.74382804      1.24262547
  H     -4.25615498      0.19441938      4.11561884
  H     -5.15422082     -2.95956895      2.38646945
  O     -5.71755056     -2.70029816      1.63573051
  H     -3.00779444     -0.50239085      3.55210503
  H     -5.28191165      0.22728994      0.41797555
  O     -5.57168055      0.17184726      1.33724134
  H     -2.63295800     -0.19440885      5.64087684
  H     -5.67869953     -0.77026805      1.51603607
          69
 Energy    -248.97595709011443     
  O     13.66852748      8.14781675     -9.78558791
  H     14.51409777      8.62358758     -9.69438689
  H     13.71333108      7.88797002    -17.21354820
  O     15.42893769      4.79561057    -13.89647201
  H     13.19115495      8.27418443     -8.97034195
  H     18.51406905      7.24138467    -14.79534082
  O     16.06328127     11.71274437    -11.57079368
  H     14.47563344      4.67094220    -13.81064472
  H     17.89712525      5.95628381    -15.35011628
  O     18.51715978     10.38999924    -12.36769536
  H     15.64487959      4.91843419    -14.82823491
  H     16.41618915      9.67655555    -15.47964130
  O     11.12769345      9.20914364    -15.83818280
  H     16.03350453     12.64711442    -11.37746591
  H     15.09317844      9.04931016    -15.98012955
  O     13.94183366      5.46861146    -10.84621685
  H     15.42508645     11.55770213    -12.28513126
  H     15.76089325      6.56789872    -13.29374652
  O     12.38042279      7.09954296    -14.45826703
  H     18.43389876      9.57509784    -11.85218765
  H     15.01802866      7.86739219    -12.87093762
  O     14.27237884     11.08863605    -13.59019517
  H     17.76612291     10.93556957    -12.10731744
  H     17.43230974      4.87056946    -11.44810281
  O     13.67707571     11.30805920    -17.31788911
  H     11.48133812      9.08252769    -16.72683494
  H     16.21611906      4.44178775    -12.26462494
  O     16.24571012      5.59936522    -16.44135999
  H     11.39836241      8.42938688    -15.33562491
  H     13.09714776      4.96137379    -12.25993281
  O     17.76164963      8.93079364    -14.56749520
  H     14.86875793      5.18655267    -10.85564005
  H     12.19658197      3.89610910    -12.93113045
  O     14.22591429      7.48227133    -16.50243997
  H     13.90696619      6.33006956    -10.41904967
  H     17.09137917      7.77788654    -11.74245750
  O     18.59837217      6.27732094    -14.77451025
  H     12.67597073      7.68630505    -13.74398222
  H     18.43208585      7.19990220    -11.29058479
  O     15.51706260      9.89057635    -15.76510175
  H     12.35241171      6.21437417    -14.07676899
  H     18.94586295      5.81685250    -13.07781532
  O     15.88274488      7.50358217    -13.09271703
  H     14.77337874     10.68128661    -14.31297685
  H     19.96231709      5.21429818    -12.08635677
  O     16.53010785      4.54751164    -11.35479391
  H     13.45128217     11.41294486    -13.98214254
  H     13.01214251      9.85809954    -18.04431688
  O     12.71829767      4.67285160    -13.11228934
  H     14.45617040     10.95604028    -16.86307324
  H     12.40415637      9.02298003    -19.19769452
  O     17.82874791      7.93442093    -11.13271267
  H     13.09033408     11.61890948    -16.61835748
  H     16.01711546     10.29663400    -10.28991748
  O     19.10987301      5.63882800    -12.13561675
  H     15.57189652      6.29451826    -16.52361299
  H     16.71465496      8.93787650    -10.05605359
  O     12.64435678      8.98600878    -18.27615054
  H     16.35473718      5.22119198    -17.31052918
  H     11.59758086     10.79565020    -15.25986894
  O     15.98764408      9.49797055     -9.74970380
  H     18.15569774      9.52339964    -13.91154186
  H     11.18861198     12.25034472    -14.93163688
  O     11.94355268     11.67550789    -15.02467968
  H     17.09017179      8.41375952    -14.09254770
  H     13.65550712      9.57712620    -12.73768239
  O     13.40145670      8.67655003    -12.49941094
  H     13.60725964      7.29687186    -15.78062259
  H     13.39456645      8.58574360    -11.53789584
          69
 Energy    -248.97529579994787     
  O     16.07341372      5.02695421    -12.57936959
  H     16.10906431      4.80868170    -13.51857682
  H     17.83308566      5.77148363    -15.17051220
  O     16.08831480     11.59654938    -12.89381300
  H     15.17080500      4.86957892    -12.27197804
  H     14.63080102      8.05431161    -16.25353615
  O     18.44595796     11.24078054    -14.16054101
  H     16.17946008     11.08616393    -12.08098105
  H     15.79511230      9.04355635    -16.03977667
  O     10.98449011      8.00892859    -14.82408753
  H     15.26317439     11.30163588    -13.30269305
  H     16.05522543      8.37913017    -12.25715092
  O     16.44410615      7.49663127     -8.99560819
  H     18.82236356     12.05204462    -14.48918324
  H     16.09962487      6.91878744    -12.80505932
  O     13.27464418      6.94515994    -13.58533148
  H     17.59559378     11.47152822    -13.74223831
  H     14.66285265      7.15027028     -9.57172380
  O     13.79112531     10.40609091    -14.00938535
  H     11.09867710      7.61085315    -15.69505066
  H     13.61357746      7.87807068    -10.44895346
  O     12.48800144      9.75266404    -17.53184880
  H     11.71705500      7.67983796    -14.28514691
  H     18.59391756      6.31192876    -11.27046523
  O     16.20425148      4.73316455    -15.39773775
  H     16.99749252      6.92922881     -9.56328154
  H     17.29374859      5.49088729    -11.29838275
  O     17.36862381      8.86656986    -15.17126668
  H     16.77464440      7.40647010     -8.10611936
  H     13.53728870      5.66763084    -10.97770518
  O     14.03264149      6.26575810    -16.12616846
  H     13.19094235      6.22693759    -12.94610810
  H     12.80728878      4.32789346    -11.26077327
  O     18.56029869      6.37420818    -14.98410852
  H     14.06776552      7.44219303    -13.34368828
  H     18.98315811     10.14026133    -12.68317609
  O     14.85175608      8.99393714    -16.24440166
  H     12.91418117     10.66398313    -14.31854986
  H     19.29856442      8.70724297    -12.17817105
  O     15.91607998      7.83660330    -13.04203186
  H     14.18029166      9.88658205    -14.72511133
  H     20.68567318      6.65468089    -12.66343775
  O     13.81939943      7.03244652    -10.02336149
  H     13.39213634      9.63721592    -17.20512443
  H     19.36137027      6.68633117    -13.45716022
  O     17.87987991      5.98637110    -10.70963918
  H     12.01958187     10.22980549    -16.83594052
  H     17.40950757      9.62376544    -11.14359171
  O     13.42742547      4.94896047    -11.63069920
  H     16.24938607      3.94742821    -15.93775636
  H     16.46386703      8.98219612    -10.09300008
  O     18.97760887      9.57456543    -11.90159078
  H     15.46165861      5.25918341    -15.73748518
  H     11.96968244      8.07829320    -17.60265685
  O     19.77452785      6.93253011    -12.61143496
  H     17.80674889      9.68693992    -14.91512619
  H     11.19082468      6.89929262    -18.23233991
  O     16.48804764      9.59950148    -10.83517817
  H     16.88054921      8.54249884    -14.39609146
  H     13.58645596      9.77668977    -12.20420294
  O     11.73585261      7.13917406    -17.48809501
  H     13.27004006      6.41142406    -16.70000552
  H     14.55367070      9.72680537    -11.01512613
  O     13.65303678      9.50455582    -11.28045434
  H     13.73074713      6.43944668    -15.22000811
  H     10.43646691     11.16847247    -14.87305901
  O     11.22520213     10.69677453    -15.12547040
  H     18.23416996      7.25731408    -15.21214066
  H     11.05363855      9.75103450    -14.96272407
          69
 Energy    -248.97497468955328     
  O     10.40795681     12.77935103    -11.98671132
  H     10.43580617     12.52659957    -12.91785695
  H     12.58223714     12.58522723    -13.98182672
  O     14.22993888      8.82513976    -17.66823797
  H     10.09250514     12.00996221    -11.49912038
  H     15.18678551     10.04943612    -11.46237786
  O     11.35879036      8.88556736    -11.93593778
  H     13.26472809      8.95831663    -17.66003089
  H     16.66632464     10.45853555    -11.66870184
  O     14.52359585      8.97237470    -14.86669748
  H     14.42054291      8.22283722    -18.38172256
  H     14.80615589      7.91259424    -13.35913957
  O     14.46528242     11.65572122    -17.24591540
  H     11.74471606      8.13336481    -11.46950365
  H     15.55160392      8.15769167    -12.03949324
  O     11.74673433      9.29350800    -14.60706479
  H     10.70104188      9.31536811    -11.37409997
  H     13.67205916      7.04637130    -11.43323092
  O     13.15299609      8.45824954     -8.46689276
  H     14.93240615      9.84114537    -14.74717480
  H     12.82956647      5.91081603    -10.80463557
  O     13.52512049     10.65896947    -11.68877894
  H     14.53019413      8.79142242    -15.81521890
  H     16.81105038     12.64102950    -11.94925023
  O     11.53583164     10.69150832     -8.48713372
  H     14.51121261     10.72573471    -17.50059685
  H     18.24213037     12.37826108    -12.47367050
  O     15.71643075     13.60753417    -10.95436991
  H     14.96238227     11.72518195    -16.42102187
  H     11.21759061     11.02665716    -14.63116063
  O      9.66674554     10.47488168    -10.40432209
  H     11.49179221      9.04236504    -13.70909205
  H     11.16601186     12.21544867    -15.61293825
  O     13.41406166     12.77937784    -13.52791420
  H     12.70683069      9.18807938    -14.66035666
  H     13.70677376     11.56289748    -10.14853014
  O     16.10140672      9.80197030    -11.24530767
  H     13.12728138      7.86525786     -9.22742640
  H     14.52615963     11.43979604     -8.85060033
  O     14.96805516      7.53150014    -12.48554637
  H     14.04068754      8.83430725     -8.44179250
  H     16.30040160     11.70098608    -14.02279046
  O     12.93393081      6.85842901    -10.82588049
  H     12.77779848     10.05663197    -11.78068208
  H     14.82399549     12.07143348    -14.28051768
  O     17.35768490     12.02154863    -12.46429799
  H     13.44088076     11.34764525    -12.35990053
  H     12.77539212     12.14780130    -17.32969401
  O     11.04097522     11.97774605    -14.68539392
  H     12.22669862     11.35099277     -8.59855933
  H     11.66742191     12.94697402    -18.05389814
  O     13.95839670     12.04608282     -9.34298496
  H     12.00642110      9.84736939     -8.40265612
  H     15.91743245      9.81367878     -9.46649461
  O     15.57162361     11.56422785    -14.63668316
  H     15.02471109     14.18729908    -11.28180628
  H     16.42124613      9.74528653     -8.00429846
  O     11.81368657     12.29529016    -17.37346030
  H     15.27319797     13.07327631    -10.28180668
  H     12.98249838     13.59362258    -10.37391463
  O     15.64779302      9.91020476     -8.53741705
  H      8.79449111     10.40364859    -10.02628346
  H     11.83033906     13.70455163    -11.39289842
  O     12.71441780     14.04837829    -11.17772075
  H     10.28912989     10.58525379     -9.66195721
  H     11.51480903     10.37419741    -17.51317665
  O     11.59054272      9.41835658    -17.40365074
  H     13.20631329     13.34248464    -12.76972064
  H     11.46913587      9.25654303    -16.45711327
          69
 Energy    -248.97487866970818     
  O     13.62337074     13.49189509    -14.72934427
  H     14.39635115     13.88032672    -15.15500274
  H     15.85378901     10.46574057    -18.52738753
  O     19.26687827     10.68233446    -11.89837448
  H     13.34989977     12.75745329    -15.29322597
  H     16.49650508     10.10435109    -12.82838384
  O     17.65044562     14.13378299    -13.80834873
  H     18.89901811     11.09799501    -11.10928217
  H     16.14203208     11.61918941    -12.68391020
  O     15.71251620      6.43752699    -12.82469504
  H     18.76235302      9.86596553    -12.01189318
  H     13.17283618     10.36544232    -16.83304401
  O     15.85300787      9.68262816     -9.88810777
  H     18.38801726     13.53663537    -13.98540537
  H     13.34574015     10.68733075    -15.35140204
  O     14.25508586      7.46047640    -10.77181098
  H     17.14714160     14.21100555    -14.62747480
  H     16.79974180      8.92548449    -11.23841075
  O     13.57720121     13.52057145    -12.02090007
  H     15.14352025      6.73462141    -12.09201480
  H     16.89039869      7.88028431    -12.38760063
  O     13.49378772      8.72478996    -17.60254991
  H     15.94062345      5.52905637    -12.64363227
  H     11.21433130      8.84953486    -12.07926632
  O     17.05913858      8.38416551    -16.67061741
  H     16.53200009     10.32333967     -9.64794289
  H     12.61097647      9.24535762    -12.61848701
  O     14.83814010      7.54629450    -15.29152989
  H     15.05869333     10.20457920    -10.08968707
  H     15.39917503     13.39940342    -11.69792663
  O     17.59766203     10.89256307    -15.50621489
  H     14.76956493      8.11321472    -10.28092418
  H     16.80194670     13.60862800    -12.36953700
  O     15.87325919      9.61202280    -18.98914576
  H     13.44647239      7.91092054    -11.04661967
  H     20.63263914     12.25675184    -14.26864038
  O     16.04461561     10.84791022    -13.25331482
  H     13.55695251     13.48987347    -12.99353496
  H     19.58021012     11.62688219    -13.32740957
  O     13.27647540     11.10816567    -16.22078551
  H     12.99444185     14.22908265    -11.75950594
  H     17.99912917     12.38934768     -9.02897050
  O     17.28403249      8.69064578    -12.04583001
  H     13.83454669      8.17553508    -16.88514973
  H     17.22993241     12.35651675    -10.37071986
  O     12.10977599      9.03459236    -11.81018521
  H     14.24276106      8.88225911    -18.19010694
  H     16.44548238     11.48983731    -16.70032729
  O     16.33301945     13.16282884    -11.64588380
  H     16.77192402      8.66572585    -17.54742475
  H     14.89617631     11.58706946    -16.91326804
  O     19.69399547     12.14816355    -14.14288349
  H     17.39094045      9.18206966    -16.23763179
  H     13.51313821     11.88843606    -11.03897959
  O     17.74835700     11.81573113     -9.74845171
  H     15.65393727      7.78687148    -15.75896702
  H     12.94243517     10.45892979    -10.88966882
  O     15.75480799     11.82601302    -17.29452794
  H     15.10673598      7.04880044    -14.50972221
  H     15.99145427     15.04967571    -16.77689531
  O     13.58294142     11.07933788    -10.51981550
  H     17.00179255     10.88851531    -14.74118277
  H     15.94414395     13.51012659    -16.66249542
  O     15.98549192     14.33201618    -16.14756013
  H     18.41973773     11.28854017    -15.19665063
  H     14.03576261      8.88278317    -14.42052200
  O     13.69578668      9.63996063    -13.92085771
  H     16.08209332      9.79784682    -19.90110829
  H     14.46728072     10.13607718    -13.60960038
          69
 Energy    -248.97483713296748     
  O     18.19533351      8.70323316    -10.18967437
  H     17.29327478      9.04231108    -10.25731525
  H     15.81270102     11.92554249     -7.87185889
  O     14.40795564      7.50129944     -9.56652571
  H     18.16377996      7.81277456     -9.81596430
  H     18.25962833     10.96831756     -8.20879900
  O     19.94821797      3.24380838    -11.89443227
  H     13.49810408      7.29473098     -9.36959993
  H     18.89767435      9.89618233     -9.10309926
  O     21.48057083      7.22914548    -12.54995331
  H     14.82695594      7.75546922     -8.72281233
  H     19.15547740      9.55578325    -13.03310214
  O     15.63682051      8.42026428     -7.34948689
  H     20.07868170      2.30486474    -11.79465447
  H     18.91198467      8.66171577    -11.79554910
  O     17.87102836      5.21442253    -14.96265515
  H     18.99722816      3.38056932    -12.05598671
  H     20.40449278      4.37687994    -13.38859369
  O     22.54840270      9.31233256    -10.89390873
  H     22.04069751      7.87798830    -12.11023887
  H     20.93248299      5.79663407    -13.67399394
  O     17.96939544      7.09268604     -6.76933218
  H     20.64640443      7.69899351    -12.71284007
  H     17.42351917      4.17817095    -13.40694381
  O     21.83580209      7.62486254     -8.90971831
  H     16.42551281      7.94061199     -7.05265689
  H     16.82864107      4.40434655    -12.00594660
  O     20.30936767      8.77423087     -6.80373990
  H     15.88556326      9.34822250     -7.39735382
  H     15.08749961      9.12167224    -10.22820929
  O     18.18641666      6.07517464     -9.35253448
  H     18.81213231      5.21117677    -14.71102225
  H     15.71183688     10.04692242    -11.33679582
  O     16.36925678     11.17611546     -8.06859964
  H     17.82832705      4.91426220    -15.86659313
  H     16.27990666      9.25008307    -13.35124452
  O     19.11368601     10.60891042     -8.47792047
  H     22.31905590      8.73880846    -10.13970169
  H     16.99534681     10.60660713    -13.11221080
  O     19.17965453      8.64055708    -12.72870424
  H     23.45972870      9.56733304    -10.77282203
  H     20.07814849     11.24026294    -10.02109928
  O     20.43905584      5.06484043    -14.06509807
  H     18.05589985      6.59851961     -7.59727884
  H     21.17363400     10.65385492    -10.93829889
  O     17.36455727      3.79073882    -12.52449379
  H     18.77968205      7.60694404     -6.68393710
  H     17.07274958      6.69252137    -14.12039769
  O     15.64734225      9.89267392    -10.38242011
  H     21.31914821      7.90319810     -8.14446496
  H     17.71188440      7.79723984    -13.26085231
  O     16.14597976     10.15449237    -13.03852992
  H     21.44917574      6.80519470     -9.24096536
  H     19.08947798     12.07048017    -13.65991740
  O     20.45896852     11.30247874    -10.90531230
  H     20.69386741      9.16439484     -6.02231776
  H     19.37938477     11.42486419    -12.28619996
  O     16.85919419      7.40626672    -13.50696847
  H     19.92550720      9.50160354     -7.32102856
  H     15.46027312      6.41821645    -10.67935744
  O     18.81695647     11.36448020    -13.07977030
  H     19.03586480      5.82504665     -9.74126714
  H     16.30686799      6.51482490    -11.98407431
  O     16.11944349      5.95903263    -11.21380320
  H     17.48968215      5.89168864     -9.99686329
  H     20.95660973      6.10664751    -11.18044041
  O     20.66553441      5.53464556    -10.45614540
  H     16.06943614     10.82583000     -8.92580065
  H     20.50871720      4.66517631    -10.84591472
          69
 Energy    -248.97476077895038     
  O     -5.76511907     -0.18556301      0.02293644
  H     -5.95456960     -0.25529507      0.96776095
  H      0.23332092      4.73696171      2.99093946
  O     -3.63604106      0.74301833     -3.76793937
  H     -5.67019987      0.75906882     -0.15937303
  H     -1.96361377      5.02110873      1.60373207
  O     -5.99905019     -0.17788181      2.81342396
  H     -3.84954913      1.66620970     -3.59781616
  H     -2.42623303      4.95418919      0.14287690
  O      0.62737589     -0.24346981      1.61937984
  H     -4.36258485      0.22138354     -3.39144065
  H     -4.27799063      2.18022830     -0.10329538
  O     -1.27607250     -0.52064447     -0.38991374
  H     -6.69533068     -0.37746190      3.43360516
  H     -5.37154534      3.22489328      0.21357530
  O     -2.29106017     -1.69988985     -4.25522780
  H     -5.70060806      0.72811749      3.01007891
  H     -1.07852857      3.65208770     -1.70353079
  O     -3.57815410     -1.97831633     -0.03422938
  H      1.37336091     -0.76878382      1.89422932
  H     -2.60750213      3.81666695     -2.00051636
  O     -0.95879287      0.51418506     -2.87591874
  H     -0.03004545     -0.28782277      2.33970897
  H     -3.24298811     -2.75063441     -3.17561362
  O      0.73491031      2.50925231      0.80435651
  H     -2.01060979     -1.11804720     -0.19097686
  H     -3.96679389     -4.08711738     -2.89507521
  O      0.45725443      2.67840360     -2.08099938
  H     -0.61175670     -0.57368675      0.30814264
  H     -2.46281275      2.06916376      2.12327316
  O     -1.29994516     -0.30322074      3.45790871
  H     -2.87205766     -0.93491056     -4.37242600
  H     -1.69152641      2.99016023      3.08429881
  O     -0.44761762      4.28431267      2.50084359
  H     -1.48331085     -1.31063638     -3.90600836
  H     -4.39001578     -1.25053845      2.89489506
  O     -2.70461215      5.23629306      1.02475639
  H     -4.30544884     -1.33948974     -0.04531512
  H     -3.53584975     -2.00020293      1.86164607
  O     -5.14523035      2.50988004     -0.39426011
  H     -3.65928289     -2.50860412     -0.83650897
  H     -2.15658107      1.00488792      0.07040384
  O     -1.91488830      3.97712995     -1.34725046
  H     -1.02614958      0.07518528     -2.01288012
  H     -2.24367500      2.54550388     -0.16747292
  O     -3.84567844     -3.20241913     -2.56040175
  H     -1.86575873      0.64562843     -3.18521315
  H     -4.37115155      4.83599144      1.37041256
  O     -2.32784879      2.26675240      3.06340726
  H      0.71734150      2.52947640     -0.15870021
  H     -5.79325993      5.36571676      1.66530093
  O     -3.56845082     -1.74503991      2.79224781
  H      0.74220522      1.58013511      1.06662941
  H     -5.81159938     -0.69834276     -1.78296825
  O     -2.62109140      1.80932863      0.33165804
  H      0.00795992      1.88911553     -2.43205631
  H     -5.15349546     -1.76416369     -2.68025729
  O     -5.29992045      4.56824499      1.49386957
  H      1.18012983      2.87064569     -2.67242272
  H     -4.12796787      2.30577654      3.38100571
  O     -5.57276336     -0.89561595     -2.69808893
  H     -2.06165014     -0.87990588      3.30078552
  H     -5.27305792      3.11255910      2.75673460
  O     -5.09110881      2.32974989      3.28778207
  H     -1.64944807      0.59691835      3.48792702
  H     -4.85971645      3.95496476     -3.27558470
  O     -4.24657252      3.36027097     -2.85028530
  H      0.00582289      3.68032834      1.88555604
  H     -4.66747346      3.06377558     -2.02478608
          69
 Energy    -248.97466542917437     
  O     11.85226999     10.11389087    -10.99644771
  H     12.16207301     10.65599850    -11.73157566
  H     14.56988631      4.80981438    -17.47789264
  O     13.81472867      7.05730584    -14.79077379
  H     11.39518725      9.36248264    -11.39564037
  H     17.49005520      6.25584684    -15.50696228
  O     17.67993133     11.52427996    -11.35705807
  H     14.03008115      6.49719074    -15.54518804
  H     17.44234262      7.02700964    -16.85218115
  O     17.46192613      8.72523130    -17.70237522
  H     14.55799201      7.66525508    -14.65209707
  H     14.04886332     11.54799893    -16.15667237
  O     11.86269396      8.97894056    -14.63008168
  H     17.53310290     12.31970892    -10.85221671
  H     14.41127671     13.05109938    -16.05783709
  O     16.59620314      7.48229183     -9.83449173
  H     16.80409468     11.14414299    -11.54515907
  H     15.71707595      9.24417769    -13.34377154
  O     13.49474277      6.45217324    -12.13498574
  H     17.32414930      9.46587291    -17.08738523
  H     16.20862718      9.35393405    -14.81031824
  O     15.30888079     10.32772278    -11.94850815
  H     18.08587728      9.02669432    -18.35801857
  H     19.50754246      8.47782826    -12.05864589
  O     14.63439800      8.32756715    -18.05686609
  H     12.53123233      8.29687740    -14.79954614
  H     20.77403012      8.08912177    -12.86113250
  O     16.10593401      5.38560603    -11.76842647
  H     11.31966899      8.61841582    -13.92097526
  H     11.77007905      7.15481588    -12.13283345
  O     16.93876593     10.65581483    -15.86191774
  H     16.48154588      6.71226793    -10.40291078
  H     10.23710970      7.10093796    -11.97541665
  O     14.67724168      5.63854922    -17.02031289
  H     15.72072833      7.88385386     -9.76821561
  H     18.47764980     11.14191741    -13.02511238
  O     17.25947723      6.17232916    -16.44042588
  H     14.29796221      5.96676490    -11.91011890
  H     19.18991228      9.93457474    -13.66028500
  O     14.57588516     12.20148313    -15.65695003
  H     13.56336843      6.62032112    -13.08778276
  H     18.46444147      7.12055083    -13.43533826
  O     15.86482384      8.73725434    -14.15271084
  H     14.95414474      9.70839831    -11.29655167
  H     17.00143869      7.42104572    -13.83015091
  O     19.83729774      8.24326614    -12.94711060
  H     14.55344062     10.70349505    -12.42249088
  H     18.45732345      9.89417106    -10.70982506
  O     10.95552124      7.67097395    -12.24000879
  H     15.58553270      8.48746656    -18.05325061
  H     18.04663052      8.46783905    -10.26127922
  O     18.77466620     10.77963622    -13.86947010
  H     14.53147630      7.39949585    -17.81812997
  H     13.59799251      9.60986686    -17.32631205
  O     17.62765414      6.69799090    -13.66849807
  H     16.42296971      4.49492622    -11.63796427
  H     12.50251559      9.86634540    -16.25512123
  O     18.78494434      8.99398376    -10.60262425
  H     16.66908566      5.78257746    -12.45374852
  H     13.82838771      7.81134372    -10.89064898
  O     13.11359433     10.30537348    -16.85649679
  H     17.61408012     10.81860181    -15.18289218
  H     13.24984908      9.13164125    -10.32938371
  O     14.01576120      8.54082814    -10.28435462
  H     16.22175357     11.29427876    -15.76997180
  H     13.58956915     11.66282708    -14.10223255
  O     13.13518930     11.17331080    -13.40593455
  H     15.62850345      5.73938786    -16.83219360
  H     12.69526520     10.43101609    -13.84546236
          69
 Energy    -248.97466377574813     
  O     15.73059199      9.62265725    -17.25253711
  H     14.82246119      9.88180931    -17.05554781
  H     16.74337536      6.66812429    -15.17864040
  O     15.88273722      5.44033164    -12.62860462
  H     16.08002657      9.19709982    -16.45293743
  H     18.63096653      6.32614968    -10.67446757
  O     19.73772166     12.02429645    -10.45459548
  H     16.66222779      5.77037266    -12.16717338
  H     17.97457603      7.52814840    -11.38267043
  O     19.46922348      9.25677439    -14.58078100
  H     16.14160484      5.38144079    -13.56015354
  H     19.17632907     10.45091496    -17.24419337
  O     14.65805846      6.05704826    -17.11389511
  H     19.40133930     11.78449782    -11.33319424
  H     20.62085383     10.23069105    -17.75710109
  O     18.10847132     10.48467525     -8.83321738
  H     20.67339026     12.17509302    -10.56478983
  H     17.69297777      8.76968969    -14.81774694
  O     15.19119985      9.21072299    -12.78562329
  H     19.75209199      9.40683751    -15.48997547
  H     16.24135774      8.73818880    -14.22440235
  O     17.00493632     12.69060019    -14.54089619
  H     19.77971329      8.38381639    -14.29437763
  H     13.07988290      9.28267515    -16.00759242
  O     20.02609452      6.74557796    -13.74677345
  H     15.33008451      5.76682312    -16.48093915
  H     12.30568673     10.40967132    -16.73408241
  O     13.62627660      6.90323204    -12.73558153
  H     15.15257801      6.46693443    -17.83142151
  H     17.57602945      9.57593145    -10.28891292
  O     19.34199065      5.21960559    -16.05003151
  H     18.72352750     11.07135169     -9.30502125
  H     17.84097394      9.87363043    -11.78574669
  O     16.70253860      5.70187236    -15.25042572
  H     17.70960531     11.01740630     -8.14986745
  H     13.58105437      7.06828696    -16.06568447
  O     18.23395121      6.59940305    -11.49888221
  H     14.59976983      8.45531130    -12.67501219
  H     13.23538856      7.34935097    -14.57663730
  O     19.90208995      9.80263659    -17.30000042
  H     15.86251170      9.18080578    -12.09125641
  H     19.03746807     10.51743015    -13.44883149
  O     16.78724880      8.47546413    -14.97711669
  H     16.12412891     12.28058644    -14.46049797
  H     18.06274174     11.72526588    -13.37396702
  O     13.14989317     10.19504085    -16.34839350
  H     16.87435373     13.63255849    -14.46819001
  H     19.27197890      8.07127735    -17.73020897
  O     17.44738084      9.22760909    -11.18235771
  H     19.82044144      6.12923847    -14.46098423
  H     18.06593933      7.26437616    -18.27282602
  O     13.10260331      7.66882735    -15.47462330
  H     19.41102861      6.56835053    -13.02467352
  H     14.05822804     11.14120897    -14.98469874
  O     18.62565473     11.15054271    -12.84097575
  H     14.40131115      6.31650245    -12.66655474
  H     14.74759416     10.72931041    -13.66971084
  O     18.93354795      7.17728225    -17.85903756
  H     12.94225598      6.52131323    -12.19269697
  H     17.60225722     11.93993191    -16.19183628
  O     14.62332936     11.47256425    -14.27741102
  H     19.24336083      5.91174641    -16.72989463
  H     17.03430857     10.92130446    -17.19839290
  O     17.80622458     11.47341009    -17.01061337
  H     19.77538098      4.48121117    -16.46863853
  H     16.10555048      7.77722646    -19.85646002
  O     16.33213326      7.57742367    -18.95155326
  H     17.57824389      5.40625044    -15.52478763
  H     16.08685076      8.35642057    -18.42273369
          69
 Energy    -248.97453363335211     
  O     12.30011674     10.52422321    -15.31170970
  H     11.93763308     10.14553307    -14.50155341
  H     16.82084392      6.22683589    -12.87903130
  O     13.88990927      4.92550113    -13.30033416
  H     12.93402609     11.20206249    -15.04730526
  H     20.96597868      6.61250881    -13.20136996
  O     17.61911969      9.92334500    -11.59367559
  H     13.54482606      4.04629773    -13.17067809
  H     19.68068130      6.69797878    -14.05901625
  O     18.88698118     10.82930823    -16.05967845
  H     13.85814085      5.37595557    -12.43447512
  H     15.93345778     10.89862571    -17.24855577
  O     12.24870128      6.88775484    -14.59158327
  H     17.54777833     10.30348357    -10.70718209
  H     17.10895348     11.39123050    -16.37684649
  O     15.01834514      9.08410295     -8.93787758
  H     16.79677699     10.12543456    -12.06207186
  H     16.60777535      8.41267503    -15.50504664
  O     13.96028106      6.28682038    -11.01318536
  H     19.63473028     11.34719486    -16.34530562
  H     16.04594218      7.44280086    -14.43709426
  O     15.29583143     10.24261203    -13.01996083
  H     19.10274689     10.49514395    -15.16964780
  H     11.59956467      8.17699184    -13.61021602
  O     17.79410834      8.40769932    -16.93496908
  H     12.81697135      6.19234953    -14.24063047
  H     10.36587915      8.85427875    -12.96945341
  O     16.27398469      6.51758105     -9.40208689
  H     12.69371954      7.25686176    -15.36408602
  H     18.88099799      9.95607177    -12.90673489
  O     18.71686296      6.18902900    -15.41101573
  H     15.41424409      8.20617177     -8.99136306
  H     19.79258555      8.89211451    -13.54462141
  O     16.48859843      5.86995344    -13.71384775
  H     14.38283987      9.13407912     -9.66394069
  H     18.66640319      7.01855057    -12.03071209
  O     20.10657103      7.02247398    -13.24498095
  H     14.69709825      6.24773008    -10.39282336
  H     17.70669500      8.12864333    -11.55084948
  O     16.18463772     11.56272293    -16.59639549
  H     13.74863678      7.22437939    -11.12047425
  H     17.04632812     11.51533273     -8.40059085
  O     15.90445956      8.30313234    -14.85346823
  H     14.99825819     11.02881339    -13.49225464
  H     16.33263831     10.26574238     -8.94712906
  O     11.30467191      8.95573415    -13.10364368
  H     15.50621373      9.57186990    -13.68755098
  H     15.19595372      9.35297675    -19.23338043
  O     19.47310295      9.79454418    -13.65454388
  H     17.09687889      8.64196924    -17.56079941
  H     14.78980903      9.00525853    -17.78309438
  O     17.82746221      7.16694116    -11.57693027
  H     18.27185244      9.22243139    -16.72633906
  H     12.64493599      9.05445986    -11.81684168
  O     17.10958730     10.83886517     -9.06849216
  H     16.89195938      6.70756141    -10.12754923
  H     14.12843842      9.47066948    -11.87648547
  O     15.51362066      9.34986679    -18.33432843
  H     16.76068222      6.02074866     -8.74949192
  H     14.41425467     13.26967871    -14.61668996
  O     13.47186180      9.02777191    -11.31999039
  H     17.91314388      5.92138313    -14.94361581
  H     15.05603072     12.09391490    -15.39339564
  O     14.43312392     12.31868296    -14.67839078
  H     18.45244840      6.86530496    -16.04777133
  H     13.14937880      9.22117516    -16.17236537
  O     13.69047978      8.48128669    -16.49167542
  H     15.63103643      5.45524340    -13.55730185
  H     14.42636634      8.38420463    -15.86760266
          69
 Energy    -248.97414453653946     
  O     17.89283954      9.30800413    -11.48613520
  H     18.58845181      8.67191008    -11.26113564
  H     13.96377951     10.24599954    -10.58653061
  O     13.87212592      6.89941726     -7.19888272
  H     18.11601381     10.16360218    -11.09876210
  H     18.29928078      4.14451693    -10.77730214
  O     18.30801670     11.71341250    -10.09248060
  H     13.21769660      7.41651411     -7.68282146
  H     18.70108679      2.75967058    -11.32970114
  O     12.08647781      8.48256655     -8.78631814
  H     14.33219529      6.36871126     -7.86192875
  H     14.98810173      5.76243184    -10.22772677
  O     15.92078879      8.23079606    -13.07531078
  H     18.48963527     12.61637012    -10.33948161
  H     15.67498420      6.80544649     -9.32926264
  O     19.59423222      7.28845822    -10.73549195
  H     17.54633134     11.73588683     -9.48563115
  H     19.17194472      4.96113344    -12.68763147
  O     21.22254258      8.08302966     -8.60112627
  H     11.16845660      8.57995882     -8.54708105
  H     19.62750210      6.39427320    -12.38371922
  O     18.07517858      5.28520828     -9.43154623
  H     12.10518633      8.09191334     -9.67877764
  H     17.57553793      6.39877755    -15.62016009
  O     12.32149032      7.62042573    -11.34012132
  H     16.33857940      7.66076793    -13.73371073
  H     18.11479649      6.24824474    -14.17764432
  O     16.24395715     11.56570669     -8.32551492
  H     16.63782919      8.64435503    -12.57215135
  H     15.44112474      9.07023811     -9.48774694
  O     13.79551453      9.84705642    -12.42633457
  H     20.25987190      7.54259709    -10.08423920
  H     16.80250795      8.73314964    -10.15787863
  O     14.08423492     10.27021469     -9.62819345
  H     19.02845126      6.62725563    -10.31170784
  H     18.95353912      9.92008387     -7.58595915
  O     18.38654006      3.62119683    -11.59194449
  H     20.76282056      8.92012770     -8.40426937
  H     19.37199775     10.81936005     -8.76571870
  O     15.38350787      5.87888470     -9.35410610
  H     22.13442445      8.20019654     -8.35086137
  H     14.87341801      7.69081008     -5.98205949
  O     19.40768136      5.79721155    -13.11042873
  H     17.11359200      5.38438838     -9.38585334
  H     15.33310707      7.76559260     -4.51539914
  O     17.31349926      6.42433786    -14.70371413
  H     18.43168052      5.63865111     -8.60351747
  H     14.91527696      5.24029696    -12.42776070
  O     16.20108564      8.47442555     -9.44904288
  H     12.66059069      8.39475768    -11.80451030
  H     14.98189349      6.77222319    -12.27463820
  O     19.72293119     10.25150620     -8.07090349
  H     12.93410410      6.90469265    -11.55899782
  H     19.88370751      7.09558617     -7.61440083
  O     15.47228879      8.15679320     -5.37342170
  H     16.50680957     10.90096987     -7.67963189
  H     18.49386353      7.44131948     -7.05601246
  O     14.49457182      5.99037964    -11.98399791
  H     15.41328913     11.25542377     -8.71113114
  H     16.99826896      8.84633531     -7.89326122
  O     19.06204872      6.70126488     -7.29608277
  H     14.54096261      9.30172263    -12.72954301
  H     16.75702764      8.83832952     -6.35524453
  O     17.37734687      9.12110661     -7.04417511
  H     13.56340316     10.42025288    -13.15285400
  H     16.84128452      3.91040784    -12.71034995
  O     16.11452313      4.19459011    -13.27835714
  H     13.35875047      9.76267172     -9.23966110
  H     16.48932926      4.85333472    -13.87588533
          69
 Energy    -248.97380812559817     
  O     -7.55071443     -3.16344537      6.02627769
  H     -6.72712042     -2.77395759      6.33786910
  H     -7.06632267      0.34148475      2.88796206
  O     -9.42461357     -1.67497971      3.17954941
  H     -8.25511669     -2.51867773      6.19022002
  H     -4.45844056     -2.22930810      7.40796085
  O     -8.06138846     -4.11434475      3.58224515
  H     -8.63167047     -1.15102506      3.38206264
  H     -4.61201517     -1.89949707      5.90286366
  O     -5.06795818      0.54527572      0.54749063
  H     -9.15694101     -2.59633964      3.29466493
  H     -0.71152237      2.69677577      2.31585350
  O     -6.42621096      0.44754257      6.11215257
  H     -7.85040240     -3.84327480      4.49679124
  H     -2.06603448      3.21844680      2.85651150
  O     -4.95021840      5.10174816      1.74614970
  H     -8.31801513     -5.03133597      3.61745737
  H     -9.29093283      2.31099443      4.95323543
  O     -9.64895466     -1.32831426      6.07211612
  H     -5.34298331     -0.30101856      0.18059798
  H     -8.57045114      3.19434099      3.91052484
  O     -3.94024215     -1.83838908      4.31005481
  H     -5.88466143      0.98365285      0.83783528
  H    -10.10150926      0.14479630      2.43135177
  O     -3.75326540      3.06222515      0.38366590
  H     -5.95215162     -0.29122973      6.51227072
  H     -9.90765677      1.64526961      2.72907905
  O     -6.31989504     -1.91827555     -0.18912110
  H     -6.66573470      0.15708371      5.21596804
  H     -5.97626825     -2.54019320      1.54074273
  O     -3.54472419      0.56865455      2.90533930
  H     -4.57157494      4.39390103      1.19475372
  H     -6.59785152     -3.27752586      2.77197448
  O     -7.02674977     -0.35023724      3.56051667
  H     -4.98506497      5.88415671      1.20235649
  H     -9.31081562     -0.40380483      0.38094153
  O     -5.07555533     -1.89989680      6.76067865
  H     -9.84312804     -1.37926704      5.12996615
  H     -9.11296932     -1.60720662      1.27962735
  O     -1.65308399      2.55635149      2.27298625
  H     -9.53271319     -0.39161000      6.27089280
  H     -9.03783274      1.82122192      7.44707669
  O     -9.38499814      2.70375917      4.07713354
  H     -3.68489300     -1.00913045      3.88497039
  H     -8.01346817      1.11740633      6.52529423
  O     -9.97535149      0.99868937      2.00595035
  H     -4.49508701     -2.29734177      3.66553406
  H     -3.69411667      4.72465059      3.17876329
  O     -5.88531386     -2.68870111      2.48997050
  H     -4.17925166      2.20395960      0.26579281
  H     -3.66435284      3.67721134      4.30663265
  O     -8.91113698     -1.27750400      0.39411805
  H     -2.94392861      2.88773913      0.88033252
  H     -4.42803060      1.65306096      4.10167239
  O     -8.93934412      1.40686408      6.59306231
  H     -6.27737537     -2.39703056     -1.01299778
  H     -5.31799225      1.72413740      5.36542592
  O     -3.10265974      4.27781233      3.79712736
  H     -7.25243351     -1.67361903     -0.05486630
  H     -8.26288272      1.45938681      1.62315128
  O     -4.84424187      2.26710039      4.72385435
  H     -4.05766367      0.49542359      2.08849060
  H     -7.15069343      2.41831597      2.14448024
  O     -7.31224790      1.63426331      1.60159259
  H     -2.78429587      1.12931072      2.70590714
  H     -6.27631772      4.31915764      2.80512394
  O     -6.79037191      3.70784280      3.34799012
  H     -6.51042436     -1.08792952      3.20963032
  H     -6.14901606      3.23218931      3.89605117
          69
 Energy    -248.97348146190450     
  O      5.42345651      1.69878600      4.86698307
  H      5.42346650      2.44988529      5.45363977
  H      3.35054478      1.32444634      0.50854730
  O      2.28040970     -4.01337575      0.17350908
  H      4.50242686      1.56893086      4.57146862
  H      4.91308200     -2.86149796     -3.56922342
  O      7.12457047     -0.68336047      1.25931310
  H      3.22607381     -4.09217344     -0.02278866
  H      5.63486226     -1.88736413     -4.53189215
  O      6.13520233      1.71770739      2.07344890
  H      2.17752538     -3.20229084      0.69121706
  H      3.24446403     -1.73932949      1.98204017
  O      2.88001906     -5.09598112      2.83033087
  H      6.85790303      0.22559430      1.47546114
  H      1.79640346     -1.44977160      2.41635771
  O      4.28891915     -4.41829715     -3.08053333
  H      6.77946185     -0.89906889      0.38315723
  H      9.26888401     -1.43229424      3.53405209
  O      5.62853262     -1.36403220     -0.97473451
  H      6.02277795      1.78214775      3.02905339
  H      7.99763002     -1.35698945      2.66107843
  O      1.53723880     -3.87375729     -2.45403881
  H      5.26437527      1.90081516      1.69829193
  H      5.28700665     -3.16020023     -0.53189213
  O      4.90955453     -1.77066248      2.58549600
  H      3.83589459     -5.08516380      2.68253758
  H      5.34822512     -4.35600205      0.46666636
  O      2.96981487      1.27780073      3.87092856
  H      2.49260717     -4.92130741      1.96658716
  H      6.92710459     -1.12252296      4.61133853
  O      7.38157769     -4.29627137      4.32516055
  H      4.62368792     -4.49821349     -2.17559448
  H      5.90268216     -0.03653336      5.07782053
  O      3.45912316      2.05031237      1.14605940
  H      3.32900248     -4.36141734     -2.99767051
  H      3.36357914     -1.36562726     -3.27686805
  O      5.17649284     -1.93208378     -3.69751298
  H      4.81156106     -0.89118991     -0.76090810
  H      2.08820833     -2.07752599     -2.78640492
  O      2.33578734     -1.66500810      1.64777827
  H      5.62823017     -1.48509881     -1.93276464
  H      1.86752839     -1.82862729      4.49923063
  O      8.33852945     -1.64364933      3.52539743
  H      1.69413610     -3.95879797     -1.49776881
  H      0.51285391     -1.09168512      4.62298077
  O      5.02084030     -4.07983301     -0.40058265
  H      0.72710356     -4.34039057     -2.64162500
  H      5.58749413     -2.45757889      5.90077729
  O      6.08256992     -0.98516660      5.06264683
  H      5.09472441     -1.52627113      3.49946208
  H      5.44180698     -3.39011460      7.12665397
  O      2.50479607     -1.20992299     -2.86503699
  H      5.61577445     -1.37746703      2.05652292
  H      2.73103264     -3.92469978      4.20849939
  O      1.36150118     -1.05335811      4.19076981
  H      3.00369664      1.48092408      2.92796121
  H      3.58590070     -3.36513709      5.37106872
  O      5.34449513     -3.35795485      6.17766342
  H      2.40268018      0.50560403      3.98278999
  H      6.26733302     -4.62604548      2.90809795
  O      2.76201838     -3.23707260      4.89068283
  H      7.78572489     -3.45635724      4.07647955
  H      5.28148793     -3.56538205      2.39187909
  O      5.56894359     -4.48034432      2.25756957
  H      6.73185141     -4.09195370      5.00970851
  H      2.82872983     -0.42199667     -1.31231251
  O      3.16311712     -0.12070051     -0.45470799
  H      3.08784419      2.82868675      0.73793756
  H      2.76346599     -0.66957983      0.23612223
          69
 Ord_Energy   -248.973343    
 O   -2.43800020      -3.46386933     -0.960638523    
 H   -1.55932701      -3.60357046      -1.34366000    
 H   -2.64193988      -2.53340364      -1.13686717    
 O   -3.79644370       3.71294355       1.49939859    
 H   -4.32034016       3.28340936      0.811740518    
 H   -3.06699419       4.14826345       1.04023063    
 O   -2.53915763     -0.387564421       1.98011303    
 H   -2.56626630      0.395872891       2.54323721    
 H   -3.36602688     -0.394482553       1.47756732    
 O   -3.02779722     -0.874659300      -1.72457242    
 H   -2.25972009     -0.320538670      -1.90347934    
 H   -3.44419551      -1.10043764      -2.56518865    
 O   -4.85603523       2.24471402     -0.696190655    
 H   -3.98191452       2.38673687      -1.09168947    
 H   -4.86144686       1.37151217     -0.277195126    
 O   -1.43274271       4.55419779      0.109151781    
 H  -0.932463467       5.36543512      0.119875222    
 H  -0.940861046       3.91232562      0.653088272    
 O   -2.40695810       2.83233905      -1.88605297    
 H   -1.74492371       2.12537074      -1.93059874    
 H   -2.04859161       3.51347876      -1.30469823    
 O   -1.46641469      -2.99639797       1.65706861    
 H   -1.89507258      -2.17484879       1.93028843    
 H   -1.91163456      -3.27467752      0.845208526    
 O   -2.57520151       2.09301114       3.31373334    
 H   -2.81143117       2.34521675       4.20232105    
 H   -3.08383012       2.66743040       2.71378875    
 O   -6.54760408      -2.09794426     -0.822340667    
 H   -6.04582787      -2.86472940      -1.12524664    
 H   -6.79456043      -1.62097299      -1.62379611    
 O   -6.27912712       1.98277962      -3.00889444    
 H   -5.83750963       2.11000466      -2.15155792    
 H   -6.71673536       2.80564308      -3.21341825    
 O   -4.54255199      -2.04072165      -3.84547615    
 H   -5.38123417      -1.56793284      -3.77074862    
 H   -4.64355278      -2.85089517      -3.33001542    
 O   -4.86300898      -4.16123867      -1.97442365    
 H   -5.01311684      -5.10169935      -2.02301598    
 H   -3.98936701      -4.03905964      -1.56385791    
 O   -3.59765291       1.76504493      -4.22070885    
 H   -3.13937807       2.25401759      -3.52417827    
 H   -4.52816486       1.80343449      -3.97976565    
 O  -0.118157990       8.17003101E-02  0.636191070    
 H   0.401674181     -0.730277777      0.676474273    
 H  -0.969036639     -0.105841942       1.05975711    
 O   -2.36346197     -0.647156537      -4.90895128    
 H   -3.09434819      -1.26178157      -4.76849174    
 H   -2.73464274      0.235589162      -4.76326036    
 O   0.113701299      -3.31576467      -1.93264639    
 H   0.151817605      -2.61009860      -2.58985090    
 H   0.558222651      -2.99012017      -1.14021564    
 O   -4.73365259     -0.332895130      0.286262333    
 H   -4.09799767     -0.489224404     -0.432462394    
 H   -5.46832895     -0.933698535      0.105065480    
 O    8.07141885E-02  -1.17447889      -3.87339926    
 H   0.728657126      -1.14770579      -4.57267904    
 H  -0.787123084      -1.02975953      -4.29400396    
 O   -6.96558523     -0.676439881      -3.31932831    
 H   -6.76373100      0.266541213      -3.21185899    
 H   -7.77861500     -0.727171481      -3.81701994    
 O  -0.717346966      0.694958687      -1.96532750    
 H  -0.281022578      0.116675571      -2.60265470    
 H  -0.407304347      0.472381204      -1.07514846    
 O  -0.280715555       2.68377876       1.69764721    
 H   -5.14186285E-02   1.82465231       1.31994879    
 H  -0.946968079       2.50156808       2.37224674    
 O    1.01480877      -2.47684836      0.686920762    
 H   0.170810133      -2.73947382       1.09900701    
 H    1.70811629      -2.89760804       1.18818986    
          69
 Energy    -248.97307841330502     
  O     11.71739599      8.69798417    -14.49915276
  H     12.13460928      7.86862980    -14.76891245
  H     15.58820770      4.79686818    -12.88093022
  O     16.83513471      7.55889597    -12.07550199
  H     12.06466447      9.38514358    -15.07862038
  H     18.51922867      6.91791970    -15.45950364
  O     16.80127308     11.69475861    -14.14439844
  H     16.34971020      7.93566594    -11.32925521
  H     19.80355065      7.64031520    -15.93224178
  O     16.40404151      8.50646983    -16.51700489
  H     17.44298337      8.23140171    -12.41182523
  H     16.04811533     11.50971658    -15.94975873
  O     13.66637871      4.79365471    -12.73752102
  H     15.90118776     11.42480824    -13.90606879
  H     15.85171551     10.25937771    -16.81431005
  O     15.60575098     12.25040104     -9.82587440
  H     17.05991739     12.34011849    -13.47495438
  H     15.67279011      7.94124224    -13.40092333
  O     15.29163228      8.65083985    -10.05523064
  H     17.33975506      8.35480477    -16.33509832
  H     14.42968977      7.63639565    -14.30341242
  O     14.25684239     10.82185067    -13.55862967
  H     15.96040946      8.49666859    -15.65287227
  H     10.53222660      8.84938759    -11.58626754
  O     15.19500254      6.07415075    -17.05377057
  H     13.25753530      4.01128582    -12.37703932
  H     11.54388970      8.85843380    -12.75232524
  O     17.19322550     10.29462483     -8.81183641
  H     13.54041855      5.50378127    -12.08162165
  H     18.84087096     10.41439675    -11.76420467
  O     17.57433099      5.46946814    -15.45257275
  H     14.80081457     11.84701430    -10.17620102
  H     18.41754597     10.63957350    -10.28417057
  O     16.53625526      4.94052249    -12.97372024
  H     16.06979040     12.65801108    -10.56705941
  H     14.01379005      7.33381233    -10.57314355
  O     18.94801604      7.79051531    -15.53920156
  H     14.69657886      9.35392690    -10.35273814
  H     12.64233012      7.50580580    -11.25889861
  O     15.51347502     11.15373217    -16.67037213
  H     15.96053008      9.07922716     -9.50685186
  H     18.66942939      8.94750908    -14.08547090
  O     15.10268213      8.29588144    -14.09540729
  H     13.66687829     11.04043399    -14.28910417
  H     17.85213664     10.21969872    -13.70784823
  O     11.46482265      8.89013749    -11.78266280
  H     14.51771355      9.89635190    -13.69814668
  H     17.92518503     14.01844698    -11.72117916
  O     18.87422719     11.04388883    -11.03161136
  H     15.10793202      5.86684391    -17.98121068
  H     18.02885511     12.48567188    -11.53456961
  O     13.31370313      6.85151984    -11.02912041
  H     15.60166957      6.95547684    -17.00216590
  H     12.72705232     10.14490702    -11.04962897
  O     18.37604778      9.49155865    -13.34425883
  H     17.43369257     10.44792063     -7.90190372
  H     13.82816245     10.82079565    -11.86634078
  O     17.44790658     13.20270279    -11.84914528
  H     16.63198833     11.04342063     -9.08640842
  H     12.34927074     11.56993141    -16.47071304
  O     13.54083437     10.65319844    -10.95454900
  H     17.26425243      5.19272722    -14.57615360
  H     13.78276832     11.01810422    -16.31523478
  O     12.87162484     10.94014663    -15.98057784
  H     16.79405542      5.48319984    -16.01496795
  H     13.36874344      5.73220346    -14.28900630
  O     13.27319595      6.39392184    -14.98830788
  H     16.71801015      5.79012295    -12.54668761
  H     13.85307554      6.14580344    -15.71954420
          69
 Energy    -248.97267532732747     
  O     16.23304597      9.27586869    -16.37676489
  H     15.34891365      9.50318399    -16.06617000
  H     17.05303253     10.19156980    -17.60106151
  O     14.64423366     12.68047184    -15.56767500
  H     16.77454951      9.14686621    -15.58656875
  H     15.77290259     12.58053174    -11.21930575
  O     19.48362908     10.84916502    -10.75119821
  H     14.11985045     11.87124401    -15.55526022
  H     14.59378537     12.45144449    -10.23033408
  O     19.76428206     13.45985635    -11.74156766
  H     15.46718324     12.44935507    -15.11048522
  H     18.72401993     16.14074839    -12.91130564
  O     14.38331052      9.88961148    -12.67792457
  H     19.64499902     11.79319112    -10.87707269
  H     20.19841525     15.97280206    -13.32034681
  O     16.99466264      9.90021923    -10.04987416
  H     19.82934464     10.42823986    -11.54593818
  H     20.09560352     12.38685596    -15.01101435
  O     17.71977585      9.25754622    -13.97543145
  H     19.78657229     14.42332363    -11.83844065
  H     21.06146280     13.44379891    -14.44744483
  O     15.75390526     13.02622941    -18.18431657
  H     20.07730389     13.10468466    -12.58340091
  H     16.63278653      8.64120344    -11.13508280
  O     18.67692821     15.03479155    -16.16177725
  H     14.56599784     10.62502999    -12.08074265
  H     16.31971800      7.15952791    -11.46877537
  O     18.78502330     12.26458933    -16.21000032
  H     14.96839453      9.17304045    -12.40453757
  H     15.73123771     15.76334534    -16.83595507
  O     13.67982659     10.06762534    -15.28116717
  H     17.88577877     10.24805685    -10.20820855
  H     16.20281677     14.76995781    -17.90645064
  O     17.54360193     10.76866429    -18.21422246
  H     16.38059097     10.63129662    -10.18011762
  H     21.71194324     15.83463905    -15.41366726
  O     15.13842854     11.95295398    -10.83477571
  H     17.32738383      8.76276417    -13.24369187
  H     20.25717535     15.30954812    -15.43407468
  O     19.61958830     16.08814623    -12.55583855
  H     18.65226810      9.40269232    -13.77508167
  H     16.19085421     15.66548126    -14.25322484
  O     20.72117357     12.55503522    -14.28869472
  H     15.30356200     12.85628943    -17.34699253
  H     17.65238566     15.36979431    -14.63899400
  O     16.39136510      8.02750558    -11.85458796
  H     16.35075526     12.28091831    -18.31271858
  H     21.20938629      9.44048623    -13.45065072
  O     16.40016048     15.63634438    -17.51682768
  H     17.95821236     15.36325681    -16.72242376
  H     20.61632599     10.84497523    -13.67964372
  O     21.08273186     15.31722793    -14.91747833
  H     18.70757865     14.07569342    -16.28331619
  H     17.09451363     10.97568003    -14.05087563
  O     17.08029935     15.57991708    -13.88765124
  H     18.49501596     11.76266692    -16.98021098
  H     16.99696788     12.41242406    -13.42902668
  O     20.41184310      9.95557609    -13.34895559
  H     18.09840717     12.15373370    -15.53306302
  H     13.70748517     15.75665053    -15.15707767
  O     16.93214077     11.90765770    -14.24823786
  H     13.89631581     10.00076991    -14.33310305
  H     14.52685594     14.45936841    -15.33765533
  O     14.59839619     15.42115678    -15.21597983
  H     12.86502707      9.59028633    -15.41174558
  H     17.94685208     13.46075491    -11.78465279
  O     17.01262482     13.54955153    -12.01799916
  H     17.75985795     10.23995463    -18.97716099
  H     16.94944217     14.31422362    -12.60817923
          69
 Energy    -248.97228949388972     
  O     11.46039654     11.02700806    -14.04417791
  H     12.09414803     11.71275252    -13.79956439
  H     15.83682401     12.17176134    -15.77669319
  O     16.37391807      7.04340905    -14.20318037
  H     11.25977532     10.51925429    -13.24833850
  H     16.14437971     10.23008288    -14.55653667
  O     17.43794145     10.28667845    -11.12129985
  H     17.13730173      7.26623986    -13.64953971
  H     15.85055351      8.75822149    -14.12599513
  O     17.41656036     11.39637191    -15.23030700
  H     15.66251192      6.78447078    -13.60021883
  H     10.09818855      8.82626711    -11.67972496
  O     14.89458891      7.77538333     -8.75511768
  H     16.56592489     10.66649241    -11.29324046
  H     11.24312417      8.34351800    -12.60259297
  O     14.40880299      6.66553129    -12.26605938
  H     17.42493560      9.92033555    -10.22805888
  H     17.93805592      7.36649882     -9.58963563
  O     14.89464085     11.12574312    -11.93656964
  H     17.95492088     11.59758429    -14.45022213
  H     18.25241353      6.99351106    -11.04834086
  O     16.80452041      8.11772681    -16.79713869
  H     17.97004756     10.87197892    -15.81860587
  H     12.79022019      6.80749165    -13.25400702
  O     15.62723217      5.34269340    -10.11135020
  H     14.32966279      8.22415240     -9.40024603
  H     12.34845420      7.76291185    -14.38219715
  O     19.07261785      9.53397694    -16.65183333
  H     15.02633017      6.88186202     -9.09406070
  H     18.57684848     11.22435775    -12.27365040
  O     20.34984871      9.22574973    -14.19831840
  H     14.76891922      6.09323099    -11.57698710
  H     19.64756003     10.85075884    -13.31978480
  O     14.90338289     12.29349348    -16.00309103
  H     14.15728280      7.49008190    -11.82607826
  H     19.11053061      8.37745086    -13.09600583
  O     15.50771982      9.65997107    -14.10577604
  H     15.11327545     10.54577071    -12.68668399
  H     17.99117807      8.83481466    -12.12275581
  O     10.96827745      9.05505294    -11.99549779
  H     14.45062968     11.88182388    -12.33575321
  H     17.55434460      9.20049672     -7.76410366
  O     18.02570416      6.61470403    -10.18859978
  H     16.02256759      8.62735451    -17.04216726
  H     16.43178945      8.57164351     -8.62491429
  O     12.01201196      7.19066699    -13.67882337
  H     16.58698338      7.60970480    -16.00438437
  H     13.90145470      9.51343477    -16.83931939
  O     19.06113353     11.56306269    -13.03926636
  H     16.52386425      5.72131863    -10.15513910
  H     14.08236142      9.68957110    -18.36280097
  O     18.36512327      8.06220837    -12.57162755
  H     15.72178567      4.44258198     -9.81245122
  H     13.96740074      9.78047584    -11.15471607
  O     17.33036310      8.94756282     -8.65545735
  H     18.28582651      8.96405820    -16.73748865
  H     12.60592422      9.03278517    -11.14142721
  O     14.53908597      9.76976774    -17.52879153
  H     19.40258179      9.68244123    -17.53394626
  H     14.02179365     12.71949130    -14.51791916
  O     13.53019336      8.96627585    -10.87091947
  H     19.95281956      9.30609936    -15.08039699
  H     13.43160114     13.87440033    -13.68288672
  O     13.57991355     12.93204594    -13.67690707
  H     21.26982842      9.00835974    -14.32834786
  H     12.41773805      9.87140344    -15.00281337
  O     13.05794715      9.22402610    -15.33480468
  H     14.69691808     11.56140806    -16.59341315
  H     13.88625030      9.38780691    -14.85913091
          69
 Ord_Energy   -248.972092    
 O    1.76582277      -1.62356126       1.56535888    
 H    2.35303164     -0.884292722       1.36995173    
 H    1.24779701      -1.77992916      0.760844648    
 O   0.746513426       1.76568830       2.09823775    
 H    1.62889123       1.52919948       1.78462946    
 H   0.486043513       1.08939028       2.73662734    
 O   -3.70572996      -2.13946486       1.53394830    
 H   -3.32696557      -1.31036365       1.85790515    
 H   -3.49532843      -2.80756855       2.20239472    
 O   -1.86441299E-02 -0.580112100       3.47903037    
 H  -0.201473013      -1.29069209       4.10554361    
 H   0.575639307     -0.960751712       2.81510377    
 O    4.94628400E-02   3.94497776      -1.34284985    
 H   0.278244019       4.83631182      -1.59219885    
 H  -0.274304569       3.98519778     -0.424438983    
 O   -3.19250584      -2.04608417      -2.75306749    
 H   -3.74777937      -2.40325832      -3.44311619    
 H   -2.64942026      -1.35606456      -3.16506481    
 O   -2.64451289      -3.98642540       3.28044009    
 H   -2.11800408      -4.52358532       2.67614698    
 H   -2.01601577      -3.62032127       3.91418195    
 O   -4.60454464     -0.572524548     -0.663190186    
 H   -4.49038410      -1.14030397      0.109193668    
 H   -4.19241667      -1.04409623      -1.39489341    
 O   -4.05313873       2.15199494     -0.663680255    
 H   -4.33671284       1.22511232     -0.635908425    
 H   -3.93218207       2.43367171      0.249231756    
 O   -1.83848441       2.07756591      -2.18200040    
 H   -2.67071843       2.21119881      -1.69756162    
 H   -1.24556887       2.81823683      -2.00750279    
 O  -0.912639916      0.599664748       4.46258299E-02
 H   -1.20493066       1.13035297     -0.705140233    
 H  -0.296118975       1.12130535      0.573834360    
 O   -1.72197449       1.53397899E-02  -3.91158700    
 H   -1.77382064      0.352120101      -4.80283070    
 H   -1.78563309      0.786387622      -3.31897020    
 O    3.10217047      0.801894903      0.910583258    
 H    2.75822115       1.14037049       6.26116022E-02
 H    4.02284288       1.04513216      0.950557828    
 O    1.02644813      -4.00842237       2.87400293    
 H   0.435167760      -4.44180155       2.24585533    
 H    1.43683934      -3.26948285       2.40492606    
 O  -0.837226808       3.85434365       1.20618105    
 H   -1.72446036       3.60403585       1.48832512    
 H  -0.233238518       3.24424648       1.65382218    
 O    1.98522842       1.76894236      -1.33162796    
 H    1.65219676       1.08573902      -1.93240380    
 H    1.38548195       2.51920152      -1.39107502    
 O  -0.996337473      -5.18351936       1.21619666    
 H   -1.03632140      -6.07361078      0.874182284    
 H   -1.40851617      -4.61207199      0.548048079    
 O   -3.36170030       2.77405739       2.06294227    
 H   -3.09026170       1.86200643       2.25911427    
 H   -3.96152258       3.03652263       2.75696683    
 O   -2.20285201      -3.35310197     -0.458453000    
 H   -2.73132586      -2.91921377      0.229433656    
 H   -2.53204966      -3.02749157      -1.30478489    
 O  -0.465412825      -2.97547793       4.88581371    
 H  -0.213222653      -3.31084847       5.74195719    
 H   0.120094933      -3.40152073       4.23236132    
 O   0.964384198     -0.330623835      -2.84911036    
 H   0.127586409     -0.252542943      -3.31870723    
 H   0.805152178     -0.990069568      -2.15972924    
 O   -2.40968871      0.197795957       2.28463888    
 H   -1.67450392      -8.96860063E-02   2.84198642    
 H   -2.02712202      0.309863418       1.39919960    
 O   0.133556768      -1.82392001     -0.621374428    
 H  -0.602941871      -2.44442439     -0.588712633    
 H  -0.242255256     -0.953293800     -0.409132481    
          69
 Energy    -248.97192640003288     
  O     -7.78997934      3.11176347     -1.13857698
  H     -7.63468575      2.17871550     -1.37422079
  H     -0.21114754      1.39293715      2.03814487
  O     -3.81927229      3.35973138     -3.48028467
  H     -8.66079444      3.33436835     -1.45696680
  H     -3.30008259      2.48242426      0.44340745
  O     -7.01055877      2.32089190      1.44391673
  H     -3.98686548      3.75974369     -4.32909806
  H     -1.92414734      2.56853332      1.13960641
  O     -1.85658508      0.03353640     -2.04559345
  H     -4.37796554      3.82609652     -2.83110096
  H      1.23673325     -0.48162057      0.78263816
  O     -4.52660932      0.79528140     -2.50081610
  H     -7.37910649      2.76978825      0.67542078
  H     -0.02531438     -1.33065521      0.55760104
  O     -4.50094608     -1.25789257      1.04604403
  H     -6.51162298      2.95356231      1.98344562
  H      1.37524259      1.65008519      0.33907630
  O     -1.48070548      2.81165780     -2.00778211
  H     -1.01249165     -0.36298983     -2.29470821
  H      2.32493676      1.75629143      1.55543980
  O     -1.83359996     -0.87647458      0.61316611
  H     -1.70868187      0.99055448     -2.03613306
  H     -6.33820474      0.47382663     -2.15177107
  O      0.82099196     -0.80917327     -2.31689843
  H     -4.33748585      1.63526647     -2.93898148
  H     -7.23906122     -0.20600722     -1.09293026
  O     -7.55111161     -0.18383965      2.49614284
  H     -3.68160405      0.33370036     -2.42029685
  H     -2.52064090      1.72680854      3.35801921
  O     -5.03093990     -0.39454121      3.71177490
  H     -4.50428342     -0.31223658      0.82742228
  H     -3.01344259      2.05237551      4.78018548
  O     -1.15656034      1.29525973      2.20717932
  H     -5.34889226     -1.58824464      0.72894928
  H     -7.40113124     -1.11542972      1.05352273
  O     -2.50956571      3.04006167      0.53559547
  H     -1.80831024      2.97358520     -1.11026299
  H     -7.77636660     -2.34579513      0.19366326
  O      0.92129188     -1.28841825      0.35875596
  H     -2.18215945      3.08743666     -2.61018782
  H     -4.76090339      1.23787384     -0.68566481
  O      1.48361797      1.40547461      1.27584461
  H     -1.88016370     -0.55632912     -0.29860942
  H     -5.49328609      1.67360181      0.63748396
  O     -7.20380651      0.52287205     -1.72487675
  H     -2.71185004     -1.21961849      0.82531388
  H     -3.35014223      4.58089429      0.69251987
  O     -3.30436931      1.97172107      3.87329614
  H      1.35000203     -1.40792575     -2.83647695
  H     -3.45112650      6.12051367      0.82024261
  O     -7.20305858     -1.58458078      0.22120679
  H      0.92403485     -1.07634524     -1.38563142
  H     -5.01423762      4.84242218     -0.78165619
  O     -4.64746722      1.39623209      0.26045239
  H     -6.78309039     -0.29312859      3.07416500
  H     -6.21778464      4.08836867     -1.41921205
  O     -3.97394578      5.32474281      0.75896955
  H     -7.50412437      0.73091314      2.18359976
  H     -4.57835765      3.26497450      3.19588165
  O     -5.36763476      4.50359128     -1.61197146
  H     -4.49994688      0.40578210      3.78295255
  H     -4.82690729      4.45890589      2.23884903
  O     -5.26008837      3.85931461      2.85783182
  H     -4.75546699     -0.81867544      2.88827791
  H      0.30348118      2.34633669     -1.67031730
  O      1.10643540      1.89807953     -1.37397853
  H     -1.43934524      0.51073482      1.71268485
  H      1.10978861      1.04064831     -1.81719335
          69
 Energy    -248.97183448236422     
  O     18.98301356     10.28225486    -14.38272735
  H     19.43413753      9.42515143    -14.40592279
  H     19.58765959      4.11014500    -13.90291098
  O     21.69199052      7.01319095    -12.21106378
  H     19.03271462     10.58119158    -13.46870480
  H     15.45920191      9.87221340    -14.49083861
  O     15.51756826      7.96549035     -9.46341087
  H     21.16971859      7.51678071    -11.56079995
  H     15.58866676      9.68862833    -12.96106154
  O     12.88751244     10.55232903    -11.96985695
  H     22.60970505      7.17377528    -12.00872112
  H     18.45664835      7.20234408    -13.48726004
  O     16.76125236      9.86239358    -15.86428148
  H     14.89519500      8.69465276     -9.32094706
  H     17.01736477      6.58553281    -13.58491656
  O     13.89102466      7.22552102    -13.26042216
  H     15.02681535      7.24825348     -9.88761411
  H     18.20916976      7.24040347     -7.85770947
  O     18.17970272      5.35678308    -10.81622587
  H     12.09726241     10.18228283    -12.35837344
  H     17.18911142      7.59109730     -8.96283381
  O     20.37824422      4.46234145    -12.31800252
  H     13.58512491     10.42203367    -12.63124766
  H     19.44891045      5.23636160    -15.87460136
  O     15.89035519      3.95611068    -11.52225968
  H     16.73461076     10.50307239    -16.57108728
  H     20.18737823      5.64174618    -17.17449579
  O     16.44185200      3.19132244    -14.06446090
  H     17.55941612     10.05932640    -15.34159918
  H     13.44639568     10.77225807     -8.84302641
  O     20.00989929      7.72185746    -14.32594951
  H     14.15434307      8.13586840    -13.43406214
  H     13.44608532     10.25457254    -10.28939081
  O     19.10003981      4.02655144    -14.73597158
  H     14.45541708      6.68035064    -13.82961637
  H     19.83240546      9.31583788    -10.83904672
  O     14.95044296      9.85096010    -13.67243199
  H     18.21600451      5.93434122    -10.04693257
  H     19.49441428      8.13111531     -9.90772284
  O     17.65729077      6.99374634    -12.98745686
  H     18.01690562      5.93015777    -11.58263395
  H     18.69828674     11.63457683    -11.13943493
  O     18.11850022      7.35828913     -8.80035896
  H     20.93200896      5.25050090    -12.27711119
  H     18.06374839     10.28788486    -11.56255207
  O     19.66501986      5.98942452    -16.45752978
  H     19.66116065      4.62731528    -11.69097031
  H     16.14807076      6.19467833    -15.51306256
  O     13.77154390     10.06530743     -9.39429634
  H     16.71610676      4.32130730    -11.17373678
  H     15.95815691      4.89287391    -14.64266115
  O     20.16798765      8.47460293    -10.50582454
  H     15.21013695      4.60051227    -11.29711241
  H     17.01070547      8.04333860    -16.47156939
  O     18.89218423     10.80002142    -11.55861451
  H     16.22855050      3.40205352    -13.13743604
  H     17.95835801      6.83082035    -16.71807672
  O     15.76497151      5.83565167    -14.69836826
  H     16.08523743      2.32453481    -14.23799075
  H     13.14392785      5.78887454    -10.58574270
  O     17.03568556      7.11339033    -16.72836565
  H     20.68426223      7.44014558    -13.69478210
  H     13.93984694      6.48670625    -11.71402688
  O     14.02413566      6.04655690    -10.84814715
  H     20.02930820      7.13237416    -15.09122741
  H     17.07529701      8.40836664    -12.15786087
  O     16.72392813      9.17335764    -11.67404767
  H     18.23144785      3.67427270    -14.51545063
  H     16.27200810      8.82941693    -10.89522362
          69
 Energy    -248.97161070884556     
  O     16.78116799      3.30705158    -10.17869788
  H     16.79470583      3.90107079     -9.41848507
  H     17.13892242      7.38810890    -14.05354376
  O     17.66711753      9.29399709    -11.59555459
  H     15.85002511      3.18190341    -10.39384083
  H     12.61355940      6.46589950    -13.64595961
  O     13.10450600      7.48564092    -12.24593165
  H     17.50792378      8.61048761    -10.93064761
  H     12.33098486      6.31607960    -15.16858749
  O     12.35635344      7.36383231    -16.70188301
  H     17.03951762      9.99860185    -11.39629920
  H     15.96250611      5.86932708    -12.55012024
  O     15.38835011     11.04538185    -11.24746815
  H     13.92986297      6.98843017    -12.11923849
  H     14.94616460      5.12593029    -11.63205363
  O     16.71532221      7.29931588     -9.82548940
  H     12.69413574      7.53071598    -11.37485769
  H     17.71707309      3.35652013    -11.66896913
  O     11.66359874      3.90993648    -12.50512597
  H     12.80949852      8.19876292    -16.48637210
  H     18.92168849      2.86779568    -12.50642006
  O     14.96387603      6.30160291    -17.37568288
  H     11.66178163      7.57937195    -17.31859526
  H     13.21588633      8.12237850     -9.38080946
  O     16.39733780      5.14691793     -8.03431866
  H     15.29431621     11.98338413    -11.39156973
  H     11.75006577      7.82104971     -8.97735850
  O     13.81988396      9.56407721    -16.10559248
  H     15.03658483     10.60367824    -12.03890245
  H     13.75515385      4.45148526     -9.64160691
  O     16.45500421      8.69739798    -16.74745689
  H     16.79298195      6.65262452     -9.11508957
  H     13.30940660      5.83418690     -9.10486473
  O     17.01786296      8.34775298    -14.08215975
  H     16.23237049      6.84664772    -10.53361072
  H     15.37128552      9.08290180    -13.62740662
  O     12.46843305      5.81911906    -14.35251134
  H     10.94291995      3.36375378    -12.80976387
  H     13.96328905      8.87727590    -12.98801736
  O     15.32383389      5.99062166    -11.83654024
  H     11.84762661      4.53707340    -13.22204950
  H     14.82484676      9.85636564     -9.87223084
  O     18.10585233      3.35812603    -12.56161573
  H     14.05795643      6.62373062    -17.28906583
  H     15.39049526      8.51388893     -9.37480147
  O     12.47261376      7.50445661     -9.51273397
  H     15.52974764      7.07077457    -17.23700221
  H     17.59088845      4.86579025    -13.50721084
  O     13.81632030      5.04331531     -8.88316347
  H     16.46764590      4.99614775     -7.09567074
  H     16.39121949      5.22878543    -14.44286144
  O     14.54971560      9.53570714    -13.38782059
  H     15.44720431      5.13113047     -8.25204255
  H     13.18879632      3.60732360    -11.63405881
  O     14.62932747      9.10584321     -9.29933308
  H     14.70196445      9.38876967    -16.45796902
  H     14.56729019      3.04508688    -12.03947235
  O     17.11382909      5.60049208    -13.91400485
  H     13.94874252      9.70057087    -15.15778173
  H     16.42660091      2.63787494    -13.27114988
  O     14.09823513      3.49756675    -11.31922812
  H     16.73087678      8.61496592    -15.81899555
  H     15.26199079      3.09997820    -14.17543571
  O     15.48649905      2.50964347    -13.44263724
  H     17.19818841      9.06266895    -17.22097762
  H     14.06770620      4.95525103    -14.84243220
  O     14.88926142      4.61480649    -15.21946766
  H     17.38110645      8.70717364    -13.25888490
  H     14.99603535      5.06993221    -16.06784400
          69
 Energy    -248.97145704745245     
  O     11.95758849     12.38644629    -12.06064744
  H     12.15535470     11.95473663    -11.21005273
  H     14.63348377      8.96632484    -14.89183703
  O     19.70332069      6.61985761    -13.10985406
  H     11.11816237     12.82655398    -11.95143243
  H     15.18733542     11.85828389    -12.96892124
  O     18.06198708     10.61770844    -11.94071390
  H     20.38186256      6.09054378    -12.69932559
  H     15.03850010     10.40882971    -13.46678019
  O     12.50288265      8.25858351    -10.68149111
  H     20.15617731      7.34434829    -13.57746174
  H     13.29262840     12.30221872    -16.60850873
  O     18.15658353      6.16130548    -15.48487641
  H     17.19325826     10.74876982    -12.35600679
  H     13.96229922     11.30415646    -15.63430937
  O     14.24750786     13.38904837    -13.36426435
  H     18.09435980     11.24422270    -11.20884822
  H     15.93832814      7.93897753    -10.92134637
  O     17.85459664      9.86550570    -15.96503823
  H     12.09748985      7.47265299    -10.32547556
  H     15.35266470      9.06975131    -10.05033321
  O     17.42035449      7.91591584    -12.09452044
  H     13.46519152      8.14291433    -10.58695568
  H     20.54693122      8.42040003    -15.48888109
  O     16.76357570     12.42110415    -16.32917113
  H     17.34384623      6.63565394    -15.26507456
  H     20.56572305      9.53544793    -14.42144155
  O     19.53641962      7.89738686    -17.05766216
  H     18.66892962      6.13572581    -14.66676722
  H     15.90359862     14.01516610    -12.67671254
  O     18.45541773     13.69408050    -14.66038894
  H     13.44523932     13.13097718    -12.88895207
  H     17.38701713     13.95806559    -13.11228130
  O     14.02827515      9.71829552    -14.92097129
  H     14.11275168     13.14130765    -14.28880615
  H     18.02700377     13.29374353     -9.51053980
  O     15.49192330     10.95441749    -12.81585564
  H     18.39488495      9.26813898    -16.49724740
  H     17.29745089     13.24623973    -10.87522515
  O     13.96045187     12.23200666    -15.93146131
  H     18.45428056     10.28191691    -15.32906753
  H     12.40640405     10.05421943     -9.99101626
  O     15.19384884      8.16511031    -10.35078501
  H     18.19459615      7.39305431    -12.33743774
  H     13.52201841     11.07439661     -9.71994303
  O     20.82159191      8.61842311    -14.58478867
  H     17.73369078      8.81987011    -11.94708274
  H     19.13747512     10.92437316    -13.31600417
  O     16.80943014     14.04852965    -12.34399807
  H     15.80200329     12.40623375    -16.26709887
  H     19.36986336     12.05166344    -14.34173229
  O     17.57390668     12.70829829    -10.11039327
  H     17.05198231     11.49804652    -16.33908639
  H     12.15062043      9.12221998    -12.30415199
  O     12.56326314     10.99207207     -9.82488053
  H     19.79585733      7.53625167    -17.90043558
  H     11.94089329     10.56811416    -12.80647431
  O     19.57788241     11.12852713    -14.15532905
  H     19.05451962      7.19517508    -16.58417294
  H     15.28277014     10.89697234    -10.98559434
  O     12.03290191      9.65487166    -13.10147461
  H     17.82319992     13.29656186    -15.28718411
  H     16.05880661     11.57942976     -9.84484490
  O     15.33196291     10.97188861    -10.02007449
  H     18.84858371     14.44056851    -15.10544024
  H     16.74696691      8.70554614    -15.08485839
  O     16.19965284      8.04607997    -14.63110759
  H     13.27842223      9.55930308    -14.32526568
  H     16.52346177      7.98918948    -13.72165059
          69
 Energy    -248.97114244634213     
  O     13.68637620      6.31590196     -7.97856491
  H     13.52333788      6.13528868     -7.05673328
  H     12.09343218     10.47273286    -16.32121706
  O     13.72290947      5.45499835    -15.99518591
  H     12.81795940      6.31374087     -8.42117856
  H     12.17508459      8.14184780    -15.27415902
  O     16.94153891      5.79145907    -13.98869227
  H     14.54295157      5.84989319    -16.31441817
  H     12.57589625      6.62469715    -15.31586691
  O     16.29596509     10.55265124    -13.91969274
  H     14.00167684      4.73889582    -15.40933435
  H     16.67069207      8.04276668    -11.70233996
  O     10.19595644      6.91841214    -12.77838083
  H     16.82438754      6.62492650    -13.51318717
  H     15.44569394      7.93769468    -12.66435873
  O     17.45551194      4.12270368    -11.66880890
  H     16.84540204      6.01757417    -14.92355261
  H     13.39481442      8.25090399    -12.09794711
  O     11.00463460      4.53489216    -11.40469770
  H     16.41379124      9.72116391    -13.42883341
  H     13.19441338      7.48940335    -13.44795234
  O     16.97270192      7.60273569     -9.96634664
  H     17.06376494     11.09017969    -13.74441240
  H     10.95667079      7.18372353     -9.63542812
  O     13.48625690     10.98387303    -13.52215737
  H     10.38286420      6.04385335    -12.41645694
  H     11.13503432      5.67975189     -9.91176961
  O     16.41493484      1.82853910    -12.82223564
  H     10.75961415      7.02262632    -13.55705765
  H     14.04676363      4.43594016    -12.69110163
  O     15.35861391      9.16056894    -16.22093906
  H     16.85427607      4.47498358    -11.00208753
  H     13.65590546      5.85473133    -12.16785406
  O     12.61795091      9.85386741    -15.82058643
  H     17.40778768      4.71620286    -12.42968788
  H     15.96897182      7.56233218    -16.48159674
  O     12.06725327      7.29196504    -14.82947801
  H     10.74815093      3.62188208    -11.50320009
  H     16.69855280      6.59661142    -17.44475630
  O     16.39022328      8.16012181    -12.61853508
  H     11.95577399      4.58371044    -11.60443612
  H     15.37698155      2.98570530    -13.76348036
  O     13.74349283      7.54146632    -12.65390072
  H     17.80802998      7.42707868     -9.54043860
  H     15.64710258      4.47902855    -14.07131058
  O     11.31973317      6.37101348     -9.26381116
  H     16.47086155      6.76939681     -9.94960684
  H     10.21793546      8.05958905    -11.48415373
  O     13.64149096      4.90931035    -11.95180431
  H     14.44911368     10.95609599    -13.57841576
  H      9.45554942      9.04609766    -10.56558912
  O     16.27616974      6.64438855    -16.59120484
  H     13.25044564     10.63577923    -12.65173772
  H     14.91665216      5.55071412     -9.15394286
  O     14.96019099      3.79593285    -14.08830032
  H     16.85577322      2.55014772    -12.34267969
  H     14.84039102      5.09551504    -10.62178794
  O     10.30059788      8.62370240    -10.69286119
  H     17.06640506      1.13846724    -12.91454411
  H     14.18790520      8.04632000     -8.62573278
  O     15.46437882      5.31215204     -9.91352515
  H     15.74894166      9.69696886    -15.52032264
  H     15.41793052      8.60507599     -9.34398785
  O     14.51728758      8.82934610     -9.08419822
  H     14.41575393      9.36436168    -16.21092825
  H     11.95719847      9.40728045    -10.90498996
  O     12.86358380      9.66365266    -11.11827269
  H     12.85913674     10.29772636    -14.98674600
  H     13.42097375      9.47031286    -10.34941453
          69
 Energy    -248.97109891780440     
  O     -6.22506304      2.34539656      0.36699038
  H     -5.37911633      2.72708638      0.08498311
  H     -4.63498656     -0.51148189      3.20350433
  O     -5.45508486      2.11331255     -3.83645930
  H     -6.80040455      2.36995712     -0.40750529
  H     -1.14709686      0.85596872      5.24962220
  O     -5.63742173      3.17835929      2.95518319
  H     -5.39452195      1.18507015     -4.09279553
  H     -2.17354714      0.96056185      4.09826985
  O     -2.73493453     -2.78687447      1.90533966
  H     -4.56454608      2.37117249     -3.56450674
  H     -0.49171535      2.99020237      1.90624626
  O     -3.42450457     -1.35872663     -0.31601183
  H     -6.38551249      3.54974936      3.41645911
  H     -0.91040753      2.55549944      3.31567946
  O     -5.30653245     -0.75133316     -4.11513916
  H     -5.95882605      2.90894134      2.07913619
  H     -3.54525486      3.97263175      0.42808826
  O     -5.93107144     -0.48090724      0.45035830
  H     -2.94052097     -2.36591625      1.05217649
  H     -3.35296664      2.47603267      0.10762691
  O     -2.88827219     -0.29525025     -2.79122330
  H     -2.72891572     -3.72863188      1.75149548
  H      1.76981694     -0.98885184      0.26767053
  O     -2.89752278      2.51359420     -2.72106813
  H     -3.21842118     -1.08143397     -1.21825047
  H      0.40978695     -0.87803814      0.99049108
  O     -0.46461254     -1.17190989      2.44289766
  H     -4.33534211     -1.08568610     -0.12575089
  H     -0.06592352      2.34095280     -0.57647125
  O     -0.07848068     -0.15922780     -2.49314382
  H     -5.96085083     -0.77514821     -3.39338345
  H      0.40189568      1.15391191      0.30212274
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  H     -5.63381154     -1.32354436     -4.80360204
  H     -6.76752115     -0.70921022     -1.18831685
  O     -1.22589825      0.87237906      4.29880359
  H     -6.01588769      0.47973648      0.50339919
  H     -7.42083417      0.33242266     -2.10852486
  O     -0.90641751      3.31054498      2.71755878
  H     -5.77544918     -0.81417780      1.34635831
  H     -3.37276186      1.13160286      2.46947055
  O     -3.72723965      3.29961521     -0.24347660
  H     -3.64697747     -0.55403609     -3.32979018
  H     -4.42503157      1.84315181      3.36170367
  O      0.88692396     -0.63948368      0.17545221
  H     -2.90993754      0.67115088     -2.73575562
  H     -1.72172301      1.31076648      0.70924948
  O     -0.06762344      1.99842156      0.32570222
  H     -3.21598112      2.89640272     -1.88912176
  H     -2.79249745      0.19254436      0.43761302
  O     -7.09741631     -0.57655518     -2.08748787
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  H     -2.44079636      4.28039082      2.35378133
  O     -3.77145669      1.13392574      3.35514366
  H     -0.67831262     -0.49682548      3.09796925
  H     -3.98354415      4.30702450      2.52141647
  O     -2.64236599      1.05198290      0.84772276
  H     -1.23397825     -1.75040974      2.37173201
  H     -6.80215636      2.29351224     -2.73596282
  O     -3.25298403      4.70533502      2.03770222
  H      0.17095306     -0.47243272     -1.61502540
  H     -8.25424242      2.77134404     -2.50103792
  O     -7.54842646      2.26348339     -2.10994543
  H     -1.00630784     -0.39138901     -2.63237264
  H      0.60137938      2.93814734     -3.01317547
  O     -0.07982170      2.54961448     -2.47091192
  H     -4.28872138     -1.93019124      2.72150447
  H     -0.00321466      1.58223119     -2.56503858
          69
 Energy    -248.97085004524189     
  O     11.49704747      7.58076055     -9.25686495
  H     11.17938324      8.44802729     -9.56206140
  H     10.61187298     10.27611655    -11.05657156
  O     13.11848600     10.71863887    -16.97580633
  H     10.72652775      7.03914004     -9.10675291
  H     12.13144829     13.39032020    -12.20066919
  O     13.67907549      7.77634619    -11.08312186
  H     13.39806083     11.02377409    -17.83446345
  H     13.21260567     12.57515419    -12.95067338
  O     14.35398745      9.90565331    -14.60171634
  H     12.59496134     11.43607531    -16.57550311
  H     17.25404944     10.51791550    -10.74267951
  O     13.06379026     11.42341066     -6.80252186
  H     13.78633442      8.72259571    -10.88796080
  H     16.82486499      9.78013729    -12.03416747
  O     11.53716620     12.53580325    -15.70990378
  H     12.98745394      7.46829076    -10.48445627
  H     15.25788283      7.93907981    -12.30819808
  O     12.23009075      8.53941788    -13.44987836
  H     14.08574777     10.17230852    -15.48882711
  H     15.54526180      8.77520052    -13.56783914
  O     15.63322035      8.06023444     -8.82546933
  H     13.60510786      9.42142955    -14.22415573
  H     11.65796740     15.09567587    -10.38724425
  O     13.69596413     10.48271803    -10.56094123
  H     13.26074351     11.72828938     -5.92003685
  H     11.75117218     13.63898314     -9.87511462
  O     13.38291137      8.60371587     -7.33064043
  H     13.85030035     11.60989076     -7.34588271
  H      9.96322248     10.71413998    -13.59862356
  O     14.87401195     13.72980634    -10.47803396
  H     10.68947517     12.08202493    -15.62370049
  H     11.12298695     11.44136508    -12.86257895
  O     10.99039768     10.10194958    -10.18424484
  H     11.79599550     12.79369754    -14.81601079
  H     15.13949384     12.56752568     -9.13956713
  O     12.28326396     12.83787804    -12.97860111
  H     11.63014831      9.23642999    -13.14790095
  H     15.96027855     11.34691776     -8.57989924
  O     17.05864408     10.65016889    -11.67617615
  H     12.63588578      8.14609690    -12.66952962
  H     15.75020938     11.54569084    -12.35495049
  O     15.96992318      8.34477832    -12.81412947
  H     14.90672377      8.22606353     -8.20398930
  H     14.73030978     11.24611024    -13.47549188
  O     12.06406019     14.25107760    -10.56451990
  H     15.21601075      7.71349277     -9.61709980
  H      9.87424324     10.02625583    -15.65726678
  O     10.52468882     10.68106296    -12.81486403
  H     14.07051572     10.92729798    -11.33053204
  H      8.45764192     10.64745500    -15.74658396
  O     15.12177245     11.82212930     -8.52022372
  H     14.15872683     10.83642242     -9.79171767
  H     16.77834432      9.35290706     -8.84579970
  O     14.90543680     11.84435315    -12.73400204
  H     13.15268160      9.51386951     -7.11178210
  H     18.14649376      9.94885397     -8.42935660
  O      9.31034714     10.75247942    -15.33427878
  H     12.66070460      8.24997665     -7.86296283
  H     10.94279406     11.66268351     -9.14129141
  O     17.32804543     10.15781242     -8.87083764
  H     13.94783052     14.00485015    -10.48127400
  H     11.78924478     12.17776037     -7.96631147
  O     11.22958588     12.47050189     -8.69618650
  H     15.02158911     13.30043530    -11.32736614
  H     11.83007195      9.36014887    -16.49480578
  O     11.12408491      8.86331841    -16.06163126
  H     11.93986901     10.28986612    -10.26826538
  H     11.49999504      8.52673410    -15.23791723
          69
 Energy    -248.97064977959383     
  O      1.53417083     11.97684121      1.92131666
  H      1.02120670     12.02625390      2.73659322
  H      6.17122677      9.89264274      1.01158049
  O     -2.74034747      9.56969146     -1.66745569
  H      0.88155253     11.94901184      1.20215482
  H     -0.17513977      8.36209443      0.09951483
  O     -1.75262497      9.88927999      2.82448979
  H     -1.97148248      8.99136458     -1.68349601
  H      0.95127276      8.97638011      0.97697636
  O      2.71065054     13.78647806     -1.97306747
  H     -3.04944054      9.61174254     -0.75328967
  H      5.04348548     10.03506069     -1.34634079
  O      5.29646439     12.86810281      0.30313347
  H     -1.09264510      9.44408375      2.27389883
  H      3.86203201      9.82474175     -2.31582365
  O      5.26306150     12.83414134     -2.57103956
  H     -1.31468630     10.64832296      3.22590008
  H     -3.08031718     12.58803497     -1.47296222
  O      2.64463465      9.70795914      0.80031257
  H      2.76997615     13.88371683     -1.01178361
  H     -2.93875070     11.28206349     -2.26591317
  O     -0.27525292     11.54641960     -0.07278702
  H      3.59095637     13.54969038     -2.28825393
  H      2.21728494      9.54689008     -1.00683052
  O     -1.08396045     13.42553610     -3.77906110
  H      4.54339760     13.40793745      0.57366416
  H      1.61829694     10.24510554     -2.26917210
  O      2.78962926     14.14275568      0.79522380
  H      5.39031725     12.99238359     -0.64982937
  H     -0.29223961      7.09043106     -2.18293892
  O     -3.74529349     10.08150798      1.00368278
  H      5.93099522     12.98268948     -3.23449872
  H      0.51709827      8.37610186     -1.90296244
  O      5.38912521     10.16329028      0.53857393
  H      5.09272128     11.87528198     -2.54961029
  H     -3.27122627     11.89935074      0.67153679
  O     -0.00678919      8.86279081      0.90752172
  H      2.34491040     10.50871669      1.25617355
  H     -1.87265309     12.33879450      0.21383515
  O      4.75528030     10.18367570     -2.25621860
  H      3.60841444      9.74401591      0.79170701
  H      0.30196032     15.58968524     -0.29999610
  O     -3.01202607     12.24216811     -2.37080661
  H     -0.31293891     10.60848750      0.15435216
  H      0.38351804     16.71030645      0.75813793
  O      2.00247172      9.41647044     -1.94210242
  H      0.05671240     11.62733806     -0.97572735
  H     -1.94514596     13.77969073      1.65348192
  O     -0.31388485      7.91436926     -1.70240833
  H     -1.83626201     13.02001611     -3.30888671
  H     -0.72335990     14.72583372      1.73637788
  O     -2.75991271     12.67764443      0.41711174
  H     -1.38342055     13.61994497     -4.66240143
  H      0.20392141     12.27548734     -3.12305660
  O      0.45934581     15.76570546      0.64467315
  H      2.09578786     14.81312249      0.82540298
  H      1.56040408     12.48634402     -2.40070960
  O     -1.31395210     14.18009081      2.26806020
  H      2.42954810     13.37775843      1.26842148
  H      1.17782624     14.85995934     -2.14288285
  O      0.88149133     11.82564678     -2.60317583
  H     -3.08320086      9.98820749      1.71159823
  H     -0.28312614     14.71551707     -2.59611392
  O      0.29119103     15.22301524     -2.01155059
  H     -4.56529306      9.73762872      1.34784253
  H     -0.76965413     12.95589955      3.36049761
  O     -0.41911591     12.21775898      3.89311732
  H      5.38185768     11.13765150      0.53796657
  H     -0.49093783     12.47878237      4.80702155
          69
 Energy    -248.97025032293811     
  O     12.64255129      4.41500389    -10.22146768
  H     12.02664110      5.06398160    -10.58175597
  H     13.56681182      9.20702717    -13.15008046
  O     14.61565149      9.25018762    -16.08946197
  H     13.19883624      4.10967762    -10.95133669
  H     17.30103866      8.02985441    -12.39565621
  O     17.62858725      7.81121831    -14.18476423
  H     14.00983493      9.51256349    -15.38346268
  H     16.94644083      8.92076395    -11.14953997
  O     16.47498312     10.64443827    -10.69047235
  H     15.42972991      9.74518866    -15.94200715
  H     13.85478186      7.98536765    -11.20365920
  O     16.46547583      2.55919794    -13.77448402
  H     18.32217765      7.13886285    -14.18186619
  H     15.24064680      8.00197841    -11.90035781
  O     11.29958431      7.51247596    -13.51105510
  H     16.85414875      7.41319728    -14.61192631
  H     19.02819199      5.09660595    -13.37812550
  O     16.39610292      5.45400892    -10.57428039
  H     16.99614807     11.35243702    -10.32058720
  H     20.28081342      5.45066519    -14.21419962
  O     13.69936722     10.63080011     -9.79549462
  H     16.17945871     10.94158712    -11.57111182
  H     13.84881472      5.10513267    -13.26300796
  O     17.14535354      4.45074450    -15.59761365
  H     16.51778739      1.68872253    -14.15934811
  H     13.80977204      6.63957273    -13.12006683
  O     15.62577657     11.29257110    -13.16305879
  H     16.65804122      3.19466583    -14.48744743
  H     17.45379755      9.44608811    -14.90194190
  O     12.04779727     11.46360238    -11.82646198
  H     11.95801378      6.85464872    -13.77953864
  H     17.90016054     10.57565675    -15.85961352
  O     13.13736947      9.85780953    -13.72775823
  H     11.68914053      8.36832541    -13.71557316
  H     14.77595421      6.34616712    -14.96688469
  O     16.99626842      8.01277126    -11.47744152
  H     16.65218883      6.35312632    -10.82517172
  H     15.14131139      7.53778969    -15.88697755
  O     14.29088551      7.98303620    -12.06517198
  H     15.82934659      5.52756322     -9.79726489
  H     17.73052619      3.44531859    -12.61835241
  O     19.34817431      5.62829000    -14.12951746
  H     13.44941473      9.72350849     -9.57399565
  H     17.72981806      4.50908473    -11.49976018
  O     13.56563816      5.91046372    -13.71328324
  H     14.63915194     10.60885390    -10.00718863
  H     10.00981052      6.61777511    -10.74664393
  O     17.19735039     10.30647953    -15.27376427
  H     16.53970961      5.19290737    -15.73151232
  H     11.02287091      6.97768108    -11.85307006
  O     15.47582929      6.70156028    -15.53229807
  H     17.96493901      4.83394694    -15.26414651
  H     15.24985452      4.45450816    -11.63772847
  O     18.28954683      4.08920786    -12.16587413
  H     14.74970374     10.96378836    -13.39182314
  H     15.17115472      3.32585992    -12.69606222
  O     10.94325073      6.64783306    -10.94171955
  H     16.20130632     11.06608223    -13.90485354
  H     14.39663239      5.25114354     -7.68240223
  O     14.63283180      3.90371170    -12.14150219
  H     12.60644191     11.22998823    -11.06577312
  H     13.74474734      5.11512864     -9.08238910
  O     14.39351898      5.62320538     -8.56032531
  H     11.63732775     12.29582703    -11.60904275
  H     12.24432485      7.51597544     -9.93573229
  O     13.05243053      7.90321078     -9.57133120
  H     12.65227924     10.46783726    -13.15010963
  H     13.53092573      7.19812692     -9.11764507
          69
 Energy    -248.96995747566177     
  O      0.93332970     -0.25188586      2.56036871
  H      1.21227176      0.53940003      3.03421823
  H     -3.02851596      4.38746376      1.87463252
  O     -2.82383333      0.61002752     -3.57870503
  H      1.40582710     -0.28843199      1.71625815
  H     -0.61489986      3.45758829      1.89171579
  O     -0.36031758     -1.67461650      4.55378111
  H     -2.03515258      0.87605767     -3.07739781
  H      0.63656426      2.91490612      2.61195785
  O     -4.40031775      0.10375884     -1.26324959
  H     -2.81747922      1.11396807     -4.38859797
  H     -1.92094652      1.71081687     -0.66555078
  O     -2.11475336     -2.17131659     -3.12157112
  H      0.20211180     -1.33137081      3.84388132
  H     -3.36920738      1.28387753     -0.35176553
  O     -0.12075043     -1.53883336     -1.31449588
  H     -0.63920321     -0.89376226      5.04188222
  H     -1.93949566      0.59695553      1.15773705
  O     -2.92579195      2.02090013      4.39107309
  H     -4.16941757     -0.82396372     -1.10228262
  H     -0.81430582     -0.03479795      2.05438015
  O     -4.34549859     -2.98016872      3.24744464
  H     -4.05315843      0.31790576     -2.13715332
  H     -4.52106910     -2.87490526     -0.31130819
  O      1.21539715      2.04337156      4.18782270
  H     -2.76131179     -2.44758007     -2.45742900
  H     -2.98855807     -2.68110882     -0.25414692
  O     -0.69414036      1.12942928     -1.87716957
  H     -2.42346174     -1.31838760     -3.44760303
  H      1.90581484      0.67925981     -0.23926802
  O     -4.12028631     -0.16945234      3.19668703
  H     -0.47444600     -1.99244777     -0.53750410
  H      1.41982214     -0.76421227     -0.50933085
  O     -2.48993336      3.61473180      2.02806803
  H     -0.66426107     -1.84111363     -2.05690793
  H     -1.60965111      1.35870525      5.25568434
  O      0.31684985      3.24271700      1.76322118
  H     -3.48376133      1.29501438      4.07479520
  H     -1.03717338      1.02080209      6.65038922
  O     -2.63645104      1.82491689     -0.02586219
  H     -2.79276565      2.60522249      3.63655130
  H      1.00686061      2.78457463      0.23283426
  O     -1.73740648     -0.11174710      1.77917755
  H     -4.28929257     -2.02650115      3.39822823
  H      2.01431434      3.15990458     -0.87951666
  O     -3.76186590     -2.57556770     -0.82704952
  H     -3.45090823     -3.32351487      3.35309998
  H     -1.26806676     -4.59929574      3.80863105
  O      2.00571688     -0.23576021      0.04917232
  H      1.94047623      2.29969533      4.75259634
  H     -1.18507066     -3.05810481      3.88376590
  O     -0.83971132      0.97933132      5.71830441
  H      0.51707354      1.69750366      4.76762617
  H     -1.50114628     -3.21083681      1.61929677
  O      1.37587630      2.50003822     -0.62236117
  H      0.04992279      1.66515934     -1.57458392
  H     -1.65979438     -1.74924532      1.16189726
  O     -1.61570378     -3.79985202      3.42244053
  H     -0.49358358      0.20853685     -1.64957204
  H     -6.53382500     -3.78262308      1.09978012
  O     -1.53372725     -2.65418198      0.83397159
  H     -4.80354281     -0.10404510      2.51281823
  H     -5.30805354     -3.16572583      1.81525943
  O     -5.82559091     -3.15453049      0.98921848
  H     -3.26497658     -0.19718145      2.74154871
  H     -5.57238443     -0.01512202      0.24603791
  O     -5.93205376     -0.27582576      1.10270866
  H     -2.63335588      3.02032028      1.27167427
  H     -6.05573762     -1.23203837      1.04764650
          69
 Energy    -248.96949768149872     
  O      9.97737030      9.96750126    -11.20178007
  H     10.63810280     10.30429028    -10.56935392
  H     12.19296854     11.83169434     -9.58841261
  O     14.60378718     10.94552312    -12.64840620
  H      9.17926170      9.80554346    -10.70643527
  H     10.39183026     10.10012375    -18.19323207
  O     16.84568312     13.84332145    -13.76449444
  H     15.45549313     11.28277713    -12.34491316
  H     11.51803150     10.99428992    -17.62248351
  O     16.26630214      8.13970640    -13.45135688
  H     13.98014038     11.67963303    -12.59861914
  H     14.48902258     13.17908001    -15.35259462
  O     10.91554795     11.52079467    -13.32784145
  H     17.25850492     13.29549928    -14.44346285
  H     13.76156208     13.70788510    -14.06274227
  O     11.92397635     14.42724139    -16.41307504
  H     15.97629716     14.07811689    -14.11017065
  H     18.02929357     11.14574881    -14.85271726
  O     15.16348710     11.77650487    -16.37075730
  H     15.68566929      8.03270825    -12.68770945
  H     18.68463264     11.84036480    -16.06532092
  O     14.32729412      9.51719983     -8.98171594
  H     15.67992888      8.42866679    -14.16505820
  H     13.09094032     14.23190546     -9.25089552
  O     12.94481467     13.14711811    -12.59160861
  H     10.36018044     11.89106266    -14.03066414
  H     14.00170099     13.05178497     -9.66935457
  O     14.41677102      9.54177845    -14.99944686
  H     10.38548613     11.05492312    -12.67024529
  H     15.18289716     11.20843881     -9.25133820
  O     18.26432203      9.96812841    -13.44614832
  H     11.83234855     15.34323354    -16.66364120
  H     16.09661811     12.07791988    -10.15715175
  O     11.88076714     10.92122119     -9.52576053
  H     12.71769274     14.37111576    -15.85547596
  H     11.47839049     10.10361564    -14.37618958
  O     10.75507114     10.43916090    -17.37974086
  H     14.88189421     10.93590164    -15.97759731
  H     11.30627419      9.57563769    -15.81723725
  O     14.18380160     13.97560989    -14.89421236
  H     16.11669437     11.82073676    -16.23965636
  H     12.49553923     12.98049153    -17.52261715
  O     17.88978156     11.81865911    -15.53695013
  H     14.32192793      9.04404123     -9.83183088
  H     13.68399964     12.00031831    -17.50800950
  O     13.13515160     13.47123359     -9.82360942
  H     14.50766235      8.86860050     -8.30635020
  H     11.64159634      8.24835968    -13.37735520
  O     15.44282011     12.11748470     -9.44713951
  H     12.93917992     13.35731513    -11.65017745
  H     11.05004643      8.55664347    -11.99391698
  O     11.66499735      9.34688642    -14.95119911
  H     12.15561343     12.62292565    -12.80192325
  H     17.00651654     12.72408200    -12.36939762
  O     12.80594183     12.14121173    -17.88517386
  H     13.47312860      9.34829351    -15.07507371
  H     17.58030979     11.28796143    -12.21410717
  O     11.68188200      7.98661428    -12.44855468
  H     14.51758839     10.05437626    -14.18036358
  H     10.48280249     13.25036604    -15.86677098
  O     17.04308001     11.95714027    -11.77523123
  H     19.07736112      9.52250284    -13.22149685
  H     10.00912766     11.84062322    -16.26254900
  O      9.86314451     12.55037568    -15.62450752
  H     17.56696136      9.28800911    -13.44057688
  H     13.34606923      8.17101944    -11.78359787
  O     14.21513145      8.47802567    -11.48576670
  H     12.65101005     10.39868414     -9.27279705
  H     14.32530993      9.36669948    -11.85918169
          69
 Energy    -248.96945834573324     
  O     -3.75761384      4.71191766      4.15310500
  H     -3.41261713      4.64793567      3.24545036
  H     -5.25689642      3.55202804      4.18336471
  O      0.69430264      2.27280613     -0.63565684
  H     -3.73701436      5.63490177      4.39207202
  H     -4.19695859      4.90291579     -1.46258021
  O     -0.61188615      0.28717238      2.63824747
  H      1.39306224      2.59843008     -1.19750503
  H     -4.65495438      3.67672204     -0.63740504
  O     -4.28741465      0.35874173     -0.08170767
  H     -0.14424523      2.46492268     -1.09436660
  H     -6.86650021      2.21966348      2.87278249
  O     -3.26758423     -2.81890962     -1.70973024
  H     -0.12962689      0.92327754      3.17926707
  H     -8.27714181      1.88180623      2.34316257
  O     -0.10678929     -0.36550139      0.01704222
  H     -1.43043005      0.73594179      2.36928835
  H     -1.76937923      4.23782151      1.61499848
  O     -6.06253774     -0.73272014      2.82984179
  H     -4.50698458     -0.51882648      0.25589908
  H     -3.09320754      4.39492520      0.77509940
  O     -2.23824158      2.55421847      5.24103124
  H     -3.59055346      0.23855416     -0.73973708
  H     -5.40041312      1.75075601     -0.24579807
  O     -2.22544397     -0.16966902     -1.82896734
  H     -2.48167894     -2.97932095     -1.15452677
  H     -6.47331764      2.44067505      0.59649659
  O     -2.71399135     -3.41031012      2.33042787
  H     -3.29995125     -3.52203750     -2.35284626
  H     -2.85415416     -0.89611545      4.36825620
  O     -1.69421877      2.61204152     -1.85839904
  H     -0.24552561     -0.23743440      0.96723109
  H     -1.47878213     -0.95220683      3.68540574
  O     -5.87335413      2.81035568      4.18764315
  H      0.31762020      0.44991555     -0.27797953
  H      0.26211275      3.24187330      0.96453962
  O     -3.88012460      4.21397230     -0.88424267
  H     -5.80509957     -1.30312923      2.09761614
  H      0.14800293      3.36254873      2.50872200
  O     -7.34852689      1.78818943      2.14515937
  H     -6.55122763      0.01065491      2.45460382
  H     -0.60258638      2.49345595      4.60256518
  O     -2.73521025      4.32325121      1.66788597
  H     -2.74437685      3.33121415      4.96995679
  H      0.91753509      2.56581168      4.87640240
  O     -5.89242048      2.58109350     -0.15954308
  H     -2.84310549      1.80776648      5.17050044
  H     -4.84332706     -0.00379265      3.93457033
  O     -2.13912553     -1.49905655      4.13399748
  H     -1.49357413     -0.27948915     -1.20290464
  H     -3.70541022      0.94692284      3.51800410
  O     -0.07667313      3.79709815      1.67697567
  H     -2.58258051     -1.05060794     -1.99477903
  H     -4.42845091     -2.52157948     -0.16302112
  O      0.27498312      2.44042621      4.18334235
  H     -2.50834936     -2.75478832      3.01983606
  H     -4.08305723     -2.65523456      1.32936230
  O     -4.13065335      0.54703885      4.29512317
  H     -2.77383588     -4.25602704      2.76731851
  H     -1.55869607     -3.15740767      0.83798379
  O     -4.72125967     -2.25960110      0.71913758
  H     -1.99337858      1.70858840     -2.02464685
  H     -0.64995908     -2.20481978      0.01243527
  O     -1.15754637     -3.02491800     -0.03078784
  H     -2.45891832      3.11998364     -1.56491877
  H     -3.45630459      1.16439962      1.27331112
  O     -2.96333560      1.54247864      2.01355202
  H     -5.34215219      2.03478843      4.40780010
  H     -2.91219547      2.49661014      1.88659531
          69
 Energy    -248.96889717004188     
  O     14.19450815      2.90453286    -10.73665094
  H     14.26937043      1.97891036    -10.47383175
  H     14.52591891     10.67011461     -9.51981417
  O     12.06537807      3.10753120    -12.52826784
  H     13.47123860      2.94993889    -11.38022044
  H     14.15868226      6.99211983    -12.46849046
  O     16.61566762      3.19770752    -12.15093885
  H     11.54439574      3.82192573    -12.14399578
  H     14.12600658      5.80392102    -11.48403938
  O     11.55392729      7.40005417    -13.23497654
  H     12.52603334      3.49366300    -13.29016568
  H     12.47101762      5.44527871    -10.26109395
  O     12.92788289      0.43837358    -12.91185237
  H     16.95349797      4.09884535    -12.16413747
  H     13.64877137      4.46725477     -9.96533662
  O     14.45085800      0.12848769    -10.47860571
  H     15.79574128      3.19903108    -11.63535428
  H     14.89229052     -0.52925535    -15.22370583
  O     16.38524669      8.61595176    -13.69061184
  H     11.84638664      7.18194204    -14.13183975
  H     14.23178764      0.26887887    -14.07470057
  O     17.13701711      9.72514175    -11.17474882
  H     12.17905525      8.06992485    -12.93145528
  H     10.06895236      5.62909546    -11.12956004
  O     13.60872743      4.36703164    -14.38412562
  H     13.29306154      0.23757398    -12.04144274
  H     11.16236680      6.16297141    -12.08052023
  O     15.55804279      7.59261381    -16.16143175
  H     12.46397353      1.28083943    -12.82128769
  H     16.18596341      6.01999299    -12.47287934
  O     16.96711964      5.40936328    -15.34471277
  H     14.54763252     -0.55819540     -9.82500111
  H     17.50808016      6.36570981    -11.71940141
  O     14.69796660      9.84813611     -9.97115979
  H     15.25723676      0.11642601    -11.02543019
  H     16.18675865      2.94468801    -13.91055748
  O     14.45651205      6.08098038    -12.34713411
  H     16.11720938      8.42432709    -14.59973779
  H     15.63048191      1.93016780    -14.93278962
  O     13.35378923      5.38512897     -9.87171779
  H     16.75651098      7.79256831    -13.35183105
  H     16.79958121      1.28431189    -12.14471008
  O     15.03736399      0.19130906    -14.61650879
  H     17.52460426      8.92179987    -10.80455319
  H     16.18408757      0.20377471    -13.05720576
  O     10.97093962      5.48694741    -11.40478520
  H     16.98897710      9.54124225    -12.11132970
  H     13.00149496      5.82085096    -15.38011162
  O     17.15613702      6.01659146    -12.54915071
  H     13.92054189      4.99730382    -13.71654644
  H     13.66472043      7.11994990    -15.84939255
  O     15.90030910      2.85090334    -14.83128430
  H     14.36809424      3.83373798    -14.64964787
  H     14.98809229      8.09949930     -9.25854463
  O     16.55978234      0.34903650    -12.17941657
  H     16.04597561      6.77419426    -15.95891389
  H     14.60542611      6.59844582     -9.21494718
  O     12.80887315      6.73454685    -15.63269510
  H     15.78435658      7.83081434    -17.05721755
  H     16.93969916      7.11657885     -9.67715155
  O     15.32876215      7.21875062     -9.05841567
  H     16.66564702      4.49212508    -15.36622130
  H     18.46035123      6.95755578     -9.42256280
  O     17.81760253      7.14603975    -10.10096855
  H     17.23341796      5.57505452    -14.43214168
  H     14.00878880      9.20404226    -11.58320207
  O     13.84683044      8.82026746    -12.45403914
  H     15.59078415      9.91672001    -10.35543122
  H     14.67224826      8.90420347    -12.94950303
          69
 Ord_Energy   -248.968674    
 O   -8.02697849      0.115338244     -0.635451853    
 H   -7.34138870      0.790346324     -0.706527352    
 H   -8.75363922      0.531508744     -0.155196324    
 O   -3.96054435      -1.21310890       4.94320297    
 H   -4.20969439      -1.99195063       4.43134785    
 H   -4.71353102      -1.04359710       5.53044271    
 O   -5.98599768       2.09691477     -0.420618653    
 H   -5.43228054       1.46016562       6.83119372E-02
 H   -5.42850780       2.50700545      -1.07597172    
 O   -7.61990356      -4.65828180       3.81441665    
 H   -8.08033276      -4.28042221       3.04257464    
 H   -7.83928871      -5.58533049       3.84293985    
 O   -8.47771645      -2.36443901       5.20800447    
 H   -8.18542862      -3.23311234       4.90402126    
 H   -8.76760960      -1.89828908       4.41697931    
 O   -9.50560474     -0.782589495       2.88343596    
 H   -9.60584831     -0.147060782       2.16039443    
 H   -9.86074829     -0.313792288       3.65277004    
 O   -6.30693865     -0.856101632       6.35103512    
 H   -7.00384426      -1.40187991       5.96632099    
 H   -6.74578333     -0.269398928       6.97508621    
 O   -9.23247719       4.09625101       3.68883562    
 H   -8.58686829       3.89100862       2.99971366    
 H   -8.88955212       3.68438554       4.49345398    
 O   -6.69467974     -0.659113944       2.85866737    
 H   -6.22918892     -0.345343560       2.07294631    
 H   -7.64171743     -0.676565766       2.68499589    
 O   -8.18321991       2.36563659       5.67541742    
 H   -8.08092594       1.97564113       6.55273438    
 H   -7.36705589       2.17706251       5.19052553    
 O   -7.42890215       2.87275052       1.87184632    
 H   -6.91512012       2.77047229       1.06156456    
 H   -6.89162588       2.51921344       2.59487391    
 O   -9.96022129     -0.799309671       7.04944992    
 H   -10.3539429     -0.231636420       6.37322044    
 H   -9.51435566      -1.50263655       6.55889797    
 O   -10.4307566      0.909976900       4.85132456    
 H   -9.64851665       1.41461897       5.12138796    
 H   -10.9571352       1.49601889       4.29506588    
 O   -3.36761689      0.950543165       3.47470284    
 H   -3.52522945      0.159183383       4.02420473    
 H   -2.47969937       1.24109912       3.66153049    
 O   -6.03029585       1.74316931       4.02444363    
 H   -6.30764055      0.833294690       3.83501863    
 H   -5.06942654       1.72495317       3.95897460    
 O   -9.70858860       1.40075827       1.20860636    
 H   -8.92076206       1.91280043       1.44875741    
 H   -10.4503050       1.83630812       1.64484501    
 O   -8.85529518      -3.35164666       1.78281701    
 H   -8.36043549      -3.12160301      0.985562503    
 H   -9.27668381      -2.53774595       2.08179379    
 O   -7.98943615      0.819279313       8.00740147    
 H   -7.98095322      0.899602234       8.95713425    
 H   -8.72576618      0.223269328       7.78106737    
 O   -7.41956186      -2.52415156     -0.513404191    
 H   -7.64410353      -1.58008707     -0.591177523    
 H   -7.57830429      -2.91248298      -1.37063110    
 O   -4.77859926      -2.39326096      0.604655325    
 H   -4.84914064      -2.77946043       1.48862290    
 H   -5.63848591      -2.52612352      0.186616063    
 O   -11.4773521       2.76361084       2.96715212    
 H   -12.2528934       3.31473374       2.91075921    
 H   -10.7360125       3.34184980       3.22653437    
 O   -5.32611704      -3.05494833       3.28581810    
 H   -5.83073092      -2.22810960       3.22017980    
 H   -5.96786690      -3.73484182       3.51761961    
 O   -4.67158079      0.281051338       1.05367064    
 H   -4.14166069      0.485735327       1.83422816    
 H   -4.55606556     -0.656077802      0.831470549    
          69
 Energy    -248.96699922937432     
  O     -6.34195789      2.04402717      0.17424048
  H     -5.55307108      2.58999244      0.29554303
  H      0.07556729      1.04625891      3.84978794
  O     -7.13874499      1.76546289      2.85803859
  H     -6.77265457      1.98480208      1.03563027
  H     -1.27522233      4.41443050     -0.72961426
  O     -1.68652221     -1.93191899      2.62453749
  H     -7.87149322      2.10060994      3.36705963
  H     -0.90414335      4.48177352      0.77547166
  O     -2.94904488     -1.37420125      0.17771993
  H     -6.36805427      2.32480342      3.06682370
  H     -3.42029829      2.51391537      0.72548817
  O     -3.63358289      0.03109593     -3.33733430
  H     -2.40155069     -1.81330194      3.26172631
  H     -3.16756780      4.00127044      0.38095106
  O     -5.60450523     -0.64302980     -0.22349816
  H     -2.10208253     -1.88939047      1.75292822
  H     -0.77397164      1.23271585      0.95333206
  O     -1.40420115     -1.24412878     -2.17524805
  H     -3.87836505     -1.20731071     -0.03388543
  H      0.50029944      0.54149350      1.48752152
  O     -3.79406533      2.69787549     -2.32138153
  H     -2.44825433     -1.39187217     -0.64772579
  H      0.43696828      2.83898760      1.52638245
  O      0.62768777     -0.57267385      2.95554250
  H     -3.57962141      0.92723116     -2.98174884
  H      1.27062621      4.04900036      2.00839408
  O     -0.01177045      1.04339928     -1.89928666
  H     -2.85553270     -0.43945160     -3.01689330
  H     -5.25245062     -0.54737531     -3.17661095
  O     -3.86849768     -1.31149004      4.32680968
  H     -5.88909083     -0.84219128     -1.12407909
  H     -6.48669653     -1.34214320     -3.67200988
  O     -0.33237138      1.84967993      4.19773884
  H     -5.80620809      0.29379135     -0.08923771
  H     -3.24282052      0.45108009      4.26792555
  O     -1.56721677      4.74831224      0.12741509
  H     -0.85050280     -1.90975426     -2.57427072
  H     -2.08729551      1.52337371      4.21952080
  O     -3.86660012      3.33571816      0.46110104
  H     -0.86733868     -0.43359157     -2.10834777
  H     -5.84723983     -0.91133300      1.65432992
  O      0.19208454      1.20663045      0.85925364
  H     -3.81672303      2.91623419     -1.38145421
  H     -6.37461082      0.03260372      2.75441654
  O      0.38537185      3.69106351      1.99184335
  H     -4.71958012      2.59840371     -2.59065145
  H     -2.70113573      1.12644521      2.21315198
  O     -6.17764731     -0.77734608     -2.96955444
  H      1.29577118     -1.17432323      3.27178939
  H     -2.71416372      0.24809905      0.91161777
  O     -3.01342393      1.34742893      3.99575997
  H     -0.19109982     -1.09166359      2.85399766
  H     -6.62240168      2.14880009     -1.69100582
  O     -5.88831274     -0.78891342      2.61032190
  H      0.19538877      1.10894796     -0.95648992
  H     -6.52973481      1.15649342     -2.85940382
  O     -2.52999092      1.12961332      1.26128950
  H     -0.34944431      1.90781494     -2.16117848
  H     -4.22847641      2.62691795      3.59419407
  O     -6.46337981      2.09416720     -2.64382022
  H     -4.61060173     -1.17151467      3.71024570
  H     -4.52746305      3.50786501      2.36423382
  O     -4.89062146      3.21995913      3.20784078
  H     -4.21232319     -1.81228668      5.06143575
  H     -2.12574470      3.28785071     -2.55651583
  O     -1.19605054      3.56760251     -2.50344172
  H     -0.10558407      2.55825379      3.58487441
  H     -1.03132783      4.10361525     -3.27595692
          69
 Energy    -248.96688013192232     
  O     -2.19198577      5.04982156      3.28674403
  H     -1.68520291      4.64001144      2.57526555
  H     -4.13194640     -4.07323406      1.99287132
  O      1.44434547      0.59981156      0.54437816
  H     -1.84895671      4.66624454      4.10447644
  H     -0.40968808      2.75863381     -1.67492902
  O     -1.19108378     -0.45922781      3.54340754
  H      0.94403041     -0.20199580      0.74984289
  H     -0.63496668      2.62002249     -0.15260641
  O     -4.38864199      0.97460915      0.56985325
  H      0.92167186      1.07009193     -0.11634029
  H     -5.31697628      5.49345395      3.64165622
  O     -3.18269421     -2.79147529     -0.84238839
  H     -0.81804546     -0.87766364      2.75649976
  H     -3.94581311      4.86000424      3.31609783
  O     -0.40327814     -1.43545590      1.06042935
  H     -1.70668267      0.29592319      3.21821816
  H     -6.54776166      2.02128560      2.39655316
  O     -5.30111359      0.12874956      5.31708230
  H     -4.71007961      0.16339177      0.99310375
  H     -5.76422622      3.36172468      2.35480291
  O     -7.17213836      0.46047492      3.40146590
  H     -5.01801856      1.66896730      0.81383335
  H     -1.42052547      2.72250296      1.92786478
  O     -1.40263749      3.61182012      5.64841316
  H     -2.86988519     -1.88323642     -0.93797949
  H      0.08517899      3.12091216      1.90386760
  O     -2.19365001     -0.12132954     -0.66061452
  H     -2.46747886     -3.27728825     -0.41236475
  H     -2.71779520     -1.39149404      3.99075675
  O     -5.33466941     -1.13976093      2.00173024
  H     -0.57029603     -2.38380881      0.99937798
  H     -4.12790213     -1.52048776      3.33873445
  O     -3.35762746     -4.17497350      2.55868469
  H     -1.06021289     -0.99892491      0.49850727
  H      2.59828377      2.79520130      2.50315193
  O     -0.47663810      2.11908269     -0.97028067
  H     -4.78557029      0.94706262      5.32949294
  H      1.70048059      1.71919964      1.84829729
  O     -4.88694456      4.66025990      3.46670737
  H     -4.68666502     -0.58380003      5.10060137
  H      0.81769820      1.88680892      4.07203381
  O     -6.13677958      2.66327334      1.80406409
  H     -6.55469428      0.35244016      4.14861751
  H     -0.19491283      0.80538943      4.49503495
  O     -0.77536080      3.31618670      1.51054549
  H     -8.05171271      0.36380430      3.75590242
  H     -3.07841022      2.87779836      5.36168890
  O     -3.58785007     -1.80129629      4.09320613
  H     -0.80563223      2.89645844      5.36341331
  H     -4.37351668      3.27693796      4.60243300
  O      1.71943375      2.42601080      2.51852144
  H     -1.06554101      3.93328591      6.48024624
  H     -4.64262876     -3.24573164      0.00281708
  O      0.21264120      1.63394192      4.78026300
  H     -1.61305025      0.60401217     -0.91905586
  H     -5.94563756     -4.07973125      0.06057976
  O     -3.90692559      2.53162570      5.00372286
  H     -2.99533537      0.29203578     -0.30632789
  H     -1.95979128     -4.16260887      1.51608245
  O     -5.38199281     -3.51314961      0.57958913
  H     -5.56106954     -1.95410026      1.53477324
  H     -0.82196426     -4.93455503      0.80510324
  O     -1.25808233     -4.08800854      0.84435499
  H     -6.12371643     -0.74696102      2.39655902
  H     -3.29478148      1.44110268      1.93047874
  O     -2.66436274      1.65998469      2.62863828
  H     -3.41346242     -3.47366903      3.22143008
  H     -3.15822018      1.94654113      3.40631484
          69
 Energy    -248.96683676076123     
  O     -5.06243927      3.78693744      2.25181215
  H     -5.92849630      3.66475349      2.63328251
  H     -1.01111287      0.21589096     -2.24843644
  O     -2.96847258     -2.37716995      0.45650010
  H     -4.65612889      2.90497277      2.19679703
  H     -1.44814839      2.43856756      4.70774321
  O     -3.65778640      1.36697075     -0.94433786
  H     -3.41782331     -2.03759025     -0.32600236
  H     -1.27124904      3.24959210      3.40814226
  O      1.33112203     -0.11149241      4.46528626
  H     -2.04997857     -2.50229881      0.18564934
  H     -1.87653273      6.15106783      2.12056855
  O      1.27016473      5.43634058      2.27042510
  H     -3.87632190      0.51564129     -1.34233611
  H     -1.41137090      7.44877997      1.42138104
  O     -1.38560422      2.85887613      1.67714000
  H     -2.72836879      1.54032667     -1.14899484
  H     -3.80103291      1.31964907      0.84057501
  O     -1.41128611      0.64464983      4.93019829
  H      1.74179697      0.75702400      4.30431338
  H     -3.34951772      0.62359740      2.16274314
  O     -3.84768285     -1.20233502     -2.03158122
  H      1.87729133     -0.55921402      5.10596071
  H     -2.48845872      4.76280274      3.83928112
  O     -2.33264075     -0.78127076      2.61104877
  H      0.44057645      5.82810458      1.97421138
  H     -3.72530610      4.93749738      2.94200004
  O      0.42196779     -0.75513950      1.89921480
  H      1.17956121      5.28018699      3.21921675
  H     -0.26163139      1.79143970     -0.87489568
  O      2.40778492      2.32398131      3.98616662
  H     -2.19675657      2.33721765      1.73840890
  H     -1.12337518      2.94129345     -1.41685735
  O     -1.20517109     -0.71718039     -2.40259463
  H     -1.50330122      3.48441159      0.95019759
  H      0.94397914      5.03331014      5.80865763
  O     -1.34423754      3.33979297      4.37124786
  H     -0.48941360      0.36321598      4.87616384
  H      0.11776166      4.15543280      4.83682927
  O     -1.24913103      6.50993542      1.46793743
  H     -1.88527770      0.09651431      4.29310008
  H     -4.32499995      3.14889985     -0.79387184
  O     -3.76255551      1.42049977      1.80372146
  H     -4.27209509     -1.59545330     -2.78912228
  H     -4.73166975      4.08887209      0.36056487
  O     -2.95185310      5.40324811      3.28408854
  H     -2.90894236     -1.07892689     -2.26495175
  H      1.56483809      2.19572216      0.77739022
  O     -0.94592911      1.99769086     -1.52737352
  H     -2.69903044     -1.40582440      1.96730108
  H      0.05103488      2.05411620      1.09046951
  O      0.98109014      4.58675620      4.96731984
  H     -1.39228239     -0.72055477      2.39715052
  H      0.42630896     -3.06238011     -0.34678214
  O     -4.39325428      4.08030906     -0.54270966
  H      0.79525106     -0.65614107      2.78349867
  H      0.09557164     -1.83078848      0.52389041
  O      0.79625840      1.63096412      0.63222446
  H      0.61633878      0.06562964      1.42088120
  H      3.60386458      3.75628234      0.96489941
  O     -0.17680489     -2.32744717     -0.26546186
  H      1.99943888      3.08795887      4.41193521
  H      2.26550680      4.18452065      1.61505118
  O      2.80694621      3.41459958      1.36063855
  H      2.65239197      2.61720790      3.10076484
  H     -2.66220625      4.50951696     -0.60251388
  O     -1.69496974      4.55366717     -0.52871756
  H     -0.74848377     -1.21815626     -1.71453790
  H     -1.48725413      5.33419796     -0.00141190
          69
 Energy    -248.96666934165776     
  O     -1.05463005      1.98461958     -1.70114149
  H     -0.31596514      1.37610791     -1.56226513
  H     -0.48475716      5.55791566      5.74972723
  O     -0.15690680      4.62009935     -1.08605763
  H     -0.70115019      2.87617000     -1.60285356
  H     -2.48295007      0.23623632      4.42090131
  O      3.79135983      2.03291709      2.33867316
  H      0.71704991      4.80889001     -0.69873499
  H     -1.26692385     -0.08417174      3.53170013
  O      1.15250422      1.65100416      1.43863558
  H     -0.41755254      5.40397636     -1.56258567
  H      0.70684003      0.64030260      2.82262258
  O     -3.29579657      1.17816939     -0.44343623
  H      4.12051082      2.56537674      1.60248003
  H      0.47943334      0.79543065      4.34538036
  O     -2.89056561      2.27547161      2.09672398
  H      4.03871598      1.11660270      2.15576068
  H      3.46366278     -1.05646026      1.73815992
  O      1.01252802      0.26703340     -0.92337212
  H      2.04070503      1.90047798      1.72303524
  H      5.00170936     -1.20569077      1.71488807
  O     -2.28938863     -1.13130800      0.92589280
  H      0.58087092      2.42898299      1.46633779
  H      3.08488818      2.83189683      3.83702118
  O      2.15951085      5.11538088      0.22485139
  H     -4.01395368      1.16143473     -1.07003375
  H      1.97698657      2.79560964      4.92541306
  O      4.36478815      3.33668051     -0.07548200
  H     -2.50415045      1.47322307     -0.92923028
  H     -3.14899776      3.25470871      3.70222848
  O      0.05202434     -2.19270757      0.08463271
  H     -3.15954960      1.97894549      1.21801047
  H     -2.31863897      4.11728356      4.68600551
  O     -0.61257433      4.91739514      5.05316773
  H     -2.65729923      1.47693583      2.59174709
  H      1.75283554      4.60615658      3.46036110
  O     -2.23575767     -0.04480723      3.53245250
  H      1.05637174      0.74416072     -0.07829736
  H      0.53528767      4.70716814      2.47108737
  O      0.50826361      0.14467313      3.63238619
  H      0.71899073     -0.62663830     -0.71013170
  H     -3.10512842      1.17385004      6.79601175
  O      4.29366147     -0.60221233      1.50664736
  H     -2.66898522     -0.40424762      0.41802380
  H     -2.83039169      2.10551049      5.58960861
  O      2.57684902      3.37987868      4.45174149
  H     -2.38769186     -0.89110471      1.85601574
  H     -0.07611902      3.09139316      5.37068881
  O     -3.09086289      3.54121635      4.62326292
  H      2.92892187      4.53936509      0.14090777
  H     -0.69393240      1.77780200      5.85989429
  O      1.19783496      5.22460597      2.95714466
  H      2.02423067      5.28513880      1.16488561
  H      2.83712743      0.62242412     -1.11198201
  O     -2.55213998      1.28002277      6.02690965
  H      4.14194588      2.47686754     -0.47649559
  H      4.01211561      0.25943092     -0.18841070
  O      0.13309282      2.16443281      5.54481412
  H      5.17312354      3.63107996     -0.48713659
  H     -1.45737199      3.27968732      1.72201854
  O      3.76104898      0.83408522     -0.92257608
  H     -0.12809655     -3.03213674     -0.33026037
  H     -0.66080535      4.07135699      0.62423931
  O     -0.63823512      3.75722957      1.53723609
  H     -0.80404266     -1.84486862      0.39284041
  H      1.31667196     -1.98687487      1.47661139
  O      1.94970301     -1.76994965      2.17212143
  H     -0.00453290      5.16686941      4.34036317
  H      1.46414312     -1.24863085      2.82515894
          69
 Energy    -248.96632900224961     
  O     11.65092358      9.24402946    -15.55413094
  H     11.81148869     10.19421368    -15.53111906
  H     16.26971872      6.02874077    -16.06103330
  O     16.89249744      7.48113887    -13.36856194
  H     12.38105066      8.87140134    -16.06828156
  H     18.28381784     10.37245366    -12.31166105
  O     15.23425381     11.80187478    -10.98058329
  H     16.24364048      7.24422930    -12.69163232
  H     18.93997558      9.56244162    -13.45161273
  O     16.83400889     11.66340874    -14.85123433
  H     17.50523446      8.12721037    -12.99441915
  H     15.16645996     11.21530609    -17.39409476
  O     14.45512231      5.56281930    -16.23081117
  H     14.59951283     11.66865282    -11.69699348
  H     15.59624219     12.04658486    -16.17837781
  O     14.42932309      9.70609105     -9.33090808
  H     15.01227099     11.14900202    -10.30267775
  H     15.81649922      8.70624880    -14.14540570
  O     14.87259493      6.93257565    -11.56982420
  H     17.06265948     11.95607534    -13.96077849
  H     14.78660237      9.01699830    -15.27105747
  O     13.56651336     11.00526570    -13.08075339
  H     16.29918604     10.85973571    -14.74653720
  H     11.31953872      8.19845407    -14.21036789
  O     18.13062067      8.35005926    -17.48422474
  H     14.09846956      5.61959655    -15.32481217
  H     10.26809444      7.33894560    -13.46996679
  O     16.27554399      7.46848427     -9.20208347
  H     14.13152366      4.74681802    -16.60199685
  H     19.66538293      7.91295658     -9.93302061
  O     19.02840145      9.93183690    -15.22074255
  H     15.06433944      8.98940540     -9.22043591
  H     18.79437780      8.65553956    -10.95381647
  O     17.13362534      6.42975191    -15.91182019
  H     13.74572814      9.36769064     -9.92374255
  H     13.96943538      6.05140520    -12.97941744
  O     18.64446965      9.50267544    -12.53057722
  H     14.19119730      7.62099006    -11.56033757
  H     12.63066472      6.36934547    -13.67705356
  O     14.88072687     11.93424556    -16.82060699
  H     15.32287014      6.97962372    -10.71756132
  H     18.06108318     12.83161343    -11.77843565
  O     15.26323369      9.39988607    -14.52511078
  H     14.17836361     10.40802328    -13.53940667
  H     16.75810224     12.00137993    -11.67641640
  O     11.19154067      7.57584431    -13.47191801
  H     13.09596362     11.47306025    -13.77856656
  H     15.90358159      9.73435566    -19.30314962
  O     18.76507484      8.17275529    -10.11285228
  H     17.78303047      7.62534046    -16.93113991
  H     16.66609135      9.24049811    -18.05523634
  O     13.43689954      5.84433438    -13.75728033
  H     18.87243929      7.99420648    -17.96679856
  H     12.15690736      8.36905663    -12.06747481
  O     17.60577075     12.08236270    -12.15197228
  H     16.38197118      7.00997186     -8.37232527
  H     13.01677220      9.64314920    -12.01728896
  O     15.83095365      9.63315961    -18.35669308
  H     17.16540644      7.72748786     -9.49506172
  H     13.31683911     11.98378106    -16.00388234
  O     12.81952705      8.82634762    -11.53594525
  H     18.36593291     10.63701171    -15.20554586
  H     12.01958558     12.78222877    -15.75054331
  O     12.48319785     11.98721457    -15.50130529
  H     18.80046668      9.38692769    -15.98056327
  H     14.14225678      7.32411560    -16.69391532
  O     13.96024861      8.27086367    -16.75660885
  H     17.13817148      6.71549397    -14.98660766
  H     14.55444342      8.65568527    -17.41226074
          69
 Energy    -248.96629659901669     
  O     13.11526128     11.97871172    -14.54381106
  H     12.99335180     11.29520780    -15.21686534
  H     17.16968138      6.49668473    -16.65059379
  O     14.72428262      6.41534584    -13.37437493
  H     14.02205868     12.29274367    -14.63430810
  H     16.01529371     12.03082918    -13.77429223
  O     18.08246885      8.91882075    -12.66915299
  H     15.66966347      6.21684904    -13.36372294
  H     16.31113734     13.45476947    -14.30453745
  O     16.83786276     10.41441371    -16.09690897
  H     14.33628329      6.05997822    -14.18743347
  H     14.93971605      8.08705389    -14.11019206
  O     11.38231074      7.57816822    -15.39711855
  H     18.63900322      8.98135797    -13.46021315
  H     15.29533041      9.56433045    -13.77304664
  O     16.37466809      8.91789825     -9.12294658
  H     18.60922591      8.79766894    -11.87045439
  H     11.43481529     11.73090489    -11.90349092
  O     13.58558841      7.28326133    -11.07911798
  H     16.29157854      9.78486315    -15.59985841
  H     12.48471105     11.47019558    -13.00699723
  O     16.07684395     10.75637232    -12.57458199
  H     16.61902589     11.28144848    -15.73508773
  H     17.63998969      5.79633029    -11.53756952
  O     15.65762405      6.69225483    -17.67559879
  H     10.47834992      7.31045790    -15.53973738
  H     18.21762108      6.61315826    -10.36755340
  O     15.37801435      6.23553671     -9.15855446
  H     11.45103173      7.83315155    -14.45902596
  H     12.15110396      7.91784384    -12.15308015
  O     13.62512421      5.83259331    -15.78604431
  H     15.67788556      9.43618424     -9.54285637
  H     11.71872064      9.32007500    -12.61825446
  O     17.98485334      6.37624436    -16.13953109
  H     15.99873540      8.03725079     -8.99455667
  H     18.82804860      8.07370837    -15.59100264
  O     15.92071367     12.61868595    -14.54570476
  H     14.06056754      6.85708748    -10.35647686
  H     18.43015037      9.55314622    -15.60587501
  O     15.07524607      8.96118721    -14.49406989
  H     13.97412426      6.93345907    -11.89771035
  H     17.68796722      6.19461478    -14.29340164
  O     12.13296732     11.13528789    -12.16318089
  H     16.82635835     10.14208478    -12.54973281
  H     17.61598491      7.20218655    -13.12034040
  O     17.67180113      5.84411448    -10.57346275
  H     15.47729110     10.53265179    -11.85064768
  H     18.01854428      8.67064689     -9.69526419
  O     11.61747862      8.38050374    -12.81113831
  H     15.47038179      7.63475308    -17.83231391
  H     19.53720336      8.66708500     -9.39683489
  O     19.06643412      8.93224091    -15.22314397
  H     15.52338868      6.24933052    -18.51041366
  H     14.29253541      9.51775869    -17.56772251
  O     17.46753934      6.27415583    -13.35795938
  H     16.17068348      6.00713317     -9.67637131
  H     15.80232967      9.81950956    -17.57573090
  O     18.88939055      8.40768192    -10.04607660
  H     15.29813667      5.57621030     -8.47449919
  H     14.01339358      9.02249399    -10.82819033
  O     15.11649941      9.31438871    -18.03197648
  H     14.22965769      6.16865583    -16.45747717
  H     13.49503437     10.45659165    -11.07650116
  O     14.23278978      9.95828182    -10.70252342
  H     12.85176512      6.41157597    -15.77411364
  H     13.74718709      9.44183032    -15.57596925
  O     13.03760453      9.70349429    -16.18630602
  H     18.52405045      5.76118207    -16.63258419
  H     12.34048040      9.04926838    -16.06007585
          69
 Energy    -248.96628829326554     
  O      3.49933360     -0.96495721      3.22631621
  H      4.03400670     -1.23900412      3.98492348
  H      9.45390085      0.85048626      1.43586737
  O      9.07715061     -2.58495092      6.29651136
  H      3.36494507     -1.76557017      2.70720099
  H      6.65828319     -3.09894767      0.50208727
  O      6.09989851     -0.79356699      7.55805043
  H     10.04248310     -2.57031326      6.29467208
  H      6.12598305     -1.61273282      0.47328139
  O      7.26563513     -1.76532818      3.21138552
  H      8.78742609     -1.70008022      6.03976987
  H      7.53971432     -0.03753397      6.52933556
  O      7.24689613      1.03836174      3.47118828
  H      6.37848117     -1.68802583      7.82797067
  H      7.88150038      0.50237513      5.11275947
  O      7.98256744     -4.39931984      0.42301069
  H      5.62772778     -0.41658159      8.29516730
  H     10.68508391     -3.84556012      3.31197099
  O      6.04631616     -5.57655310      6.40823937
  H      7.33500603     -0.80121125      3.21704444
  H     10.34913856     -4.85549144      4.41473447
  O     10.56660363     -0.22523797      2.11374923
  H      6.77061771     -2.01490082      2.41923321
  H      7.23449823      0.54175566      0.42644456
  O      9.61900481     -2.87291163      2.16809750
  H      7.82565223      1.30146020      2.74248155
  H      5.75111833      0.55971329      0.83183283
  O      5.29058810     -1.95250624      5.12049398
  H      6.34217912      1.19360458      3.17023581
  H      4.20944960     -4.29362532      3.42500331
  O      6.98236881     -3.31105226      7.98207829
  H      8.20333949     -5.10767629     -0.17480453
  H      4.89844953     -3.61494328      4.62034650
  O      8.74788439      1.45730797      1.14332398
  H      7.65738534     -4.81086748      1.24716650
  H     10.11393534      0.15851302      5.31354429
  O      5.95765196     -2.50832316      0.80599117
  H      5.65543019     -6.38902047      6.72142326
  H     11.34087517     -0.77335592      5.20922315
  O      8.25885979      0.08010006      5.89728502
  H      5.51267817     -5.28857852      5.65021047
  H      7.80495328     -5.39544061      5.63582709
  O     11.08204022     -4.35805942      4.03122168
  H     10.77081550     -0.07911219      3.04926087
  H      8.70888269     -4.16125401      5.44780092
  O      6.38508043      0.11695845      0.25331043
  H     10.37089082     -1.16553514      2.02340930
  H      4.21743943      0.47712457      2.59959571
  O      4.73140320     -4.48051355      4.21428601
  H      9.22726535     -3.38058403      1.44839922
  H      4.07554566      1.97125346      2.22617917
  O     10.94711062      0.02901852      4.84508513
  H      8.87374272     -2.51372903      2.67190442
  H      7.72214550     -5.25281812      3.50198255
  O      8.56024261     -5.06641105      5.13523931
  H      6.07317581     -1.89596339      4.55069275
  H      6.24075200     -5.06514420      3.16914529
  O      4.70486593      1.25720670      2.27988432
  H      5.50318879     -1.53160879      5.95989828
  H     11.68511394     -3.18452151      5.17985717
  O      7.08336052     -5.32221187      2.77930031
  H      6.59177662     -4.07738017      7.54784612
  H     12.65450146     -2.74033924      6.30199252
  O     11.84063807     -2.50840280      5.86380708
  H      7.81092518     -3.13364285      7.51160328
  H      3.06489112     -3.79160096      1.10828419
  O      3.61456682     -3.46282598      1.81477512
  H      9.18020199      2.21145252      0.75307219
  H      4.43742776     -3.14248824      1.40386676
          69
 Energy    -248.96626419337613     
  O     11.79652026     10.92895170    -13.54162541
  H     12.36845069     11.70007722    -13.46232956
  H     15.29329051      6.54458262    -15.84969530
  O     15.83667373      6.78750105    -14.10322360
  H     12.04182802     10.50915029    -14.37884413
  H     19.87410686      9.49729447    -13.89425314
  O     17.57056440     10.12625136    -11.30865486
  H     16.67021208      7.06589597    -13.69849822
  H     19.56611749      8.65543246    -15.14083836
  O     17.32791032     11.07118053    -15.20005184
  H     15.26894046      6.54172807    -13.36123643
  H     15.93819432     12.24363680    -15.66205117
  O     12.13906754      6.95512948    -15.90988309
  H     17.63190561      9.26660542    -11.75622454
  H     14.71858247     12.10287315    -16.58180509
  O     16.38868932      8.41415642     -9.32209586
  H     16.70941811     10.50836545    -11.53475553
  H     14.38265695      9.56193245    -14.88774297
  O     14.53127052      6.34764253    -11.67722975
  H     17.94365136     11.19828675    -14.46804450
  H     15.39949740      8.52347204    -14.33575354
  O     15.06391725     10.92998150    -12.10938470
  H     16.61929900     10.47756016    -14.90419629
  H     10.44604974      9.13701624    -11.34342165
  O     16.02679754      8.82724324    -17.89538566
  H     12.14625039      6.82473929    -14.94447682
  H     11.46414287      9.72498801    -12.35000940
  O     17.12936815      6.02785348    -10.42036840
  H     11.40616221      6.44798004    -16.24849888
  H     11.79941358      7.47097685    -12.71621582
  O     18.67950778      9.27142036    -16.78663768
  H     15.46537167      8.57224989     -9.56045466
  H     12.90574616      6.40075745    -12.68114824
  O     14.87337323      6.62497674    -16.71749964
  H     16.89232569      9.09801090     -9.78056854
  H     18.73770526     10.90076274    -12.39190403
  O     19.91325654      8.59740060    -14.24201561
  H     15.34620340      6.05665301    -11.25246410
  H     19.83023873     11.91231387    -12.80810881
  O     15.06242011     12.61255354    -15.83850331
  H     14.33773640      7.22444324    -11.31306682
  H     18.75425721      7.79937446    -13.08657075
  O     15.20561449      9.46720789    -14.39217914
  H     14.64844324     11.75012243    -12.39675851
  H     17.99139303      6.99916704    -11.92724610
  O     11.31518934      9.00365026    -11.71165584
  H     15.08957437     10.36224002    -12.89731982
  H     14.00527183     11.01661823    -18.81608420
  O     12.16633088      6.72588763    -13.20847074
  H     15.63224625      8.01243771    -17.54731906
  H     14.90037810     10.11602355    -17.93171902
  O     19.27429520     11.21247202    -13.14065057
  H     16.93907937      8.84013478    -17.59223635
  H     12.96284635      8.89896882    -10.83500161
  O     17.93124758      7.69887450    -12.58655632
  H     17.43883793      5.40001967     -9.77304151
  H     14.28623742      9.64187000    -11.08551035
  O     14.21545487     10.81048690    -17.90962761
  H     16.90237705      6.84163402     -9.93477668
  H     14.20057400     12.90544651    -14.33695532
  O     13.90444493      8.88187656    -10.62332909
  H     19.23685087      9.70306840    -17.43135758
  H     13.61098718     13.95615542    -13.37013836
  O     13.76411687     13.02093281    -13.47403622
  H     18.21625613      9.97728110    -16.30392950
  H     12.53098258      8.75352090    -15.95793792
  O     12.78793374      9.67186221    -15.80247918
  H     13.92653549      6.64532162    -16.53860421
  H     13.15412170     10.03542979    -16.61877422
          69
 Energy    -248.96601456299794     
  O     -2.17721064      1.97900091      0.28865544
  H     -2.42823543      1.35666799     -0.40532057
  H      0.57620597      0.69132271      2.98196326
  O     -0.65390530     -2.65331783      6.73774827
  H     -1.23506750      2.14667556      0.15779927
  H     -2.40548435     -0.77377247      1.72141176
  O     -0.68655735      0.23076376      4.34891605
  H     -0.25430168     -2.60608929      5.85836470
  H     -2.85333484     -2.11992167      1.06173814
  O     -1.66464935      0.01249003      6.97426299
  H     -0.96694089     -1.76135131      6.93134777
  H     -4.95155076     -1.88462029      3.40014377
  O     -2.37065647     -4.71703066      6.41009042
  H     -0.96126645      0.31094049      5.27046753
  H     -4.81452613     -3.01847643      2.34494690
  O     -0.10398704     -2.48111435      3.98602553
  H     -0.49392373     -0.70878092      4.21316511
  H      0.84210241      1.65002186      0.76583649
  O     -4.86723161     -3.31196373      6.13588340
  H     -2.59413842     -0.19437889      6.76345644
  H      1.22667342      2.88417741     -0.08537723
  O     -2.47268573     -0.33629295     -1.35819064
  H     -1.67488064      0.57042120      7.74687481
  H     -5.86536415      0.51905531      3.41978071
  O      0.58821438     -2.00549663      1.36966159
  H     -1.76065361     -3.98734136      6.62316815
  H     -4.33845685      0.29717825      3.28398211
  O     -1.30869931     -3.99672198     -1.33101299
  H     -2.17485301     -5.42580820      7.01632669
  H      1.93972051     -2.75497143     -1.81877026
  O     -2.11204768     -5.21657292      1.17008676
  H     -0.89674386     -3.01660513      3.84335090
  H      0.88079511     -1.65550248     -1.55758406
  O      1.07681767      0.66055567      2.15823927
  H      0.33718382     -2.42270919      3.12819827
  H     -2.04547759      0.68836614      3.24407872
  O     -2.11892330     -1.50257807      1.15415203
  H     -4.08503697     -3.85242820      6.30045953
  H     -2.57568821      1.29532580      1.87971557
  O     -4.77917050     -2.82957101      3.29151254
  H     -4.98994176     -3.30277793      5.17830102
  H      0.49514136      0.70628926     -1.30194702
  O      0.64334776      2.13081983     -0.05825758
  H     -2.97278739     -1.03099984     -1.79908494
  H     -0.69036691     -0.12395784     -1.82738325
  O     -5.15597039     -0.06875021      3.66556892
  H     -2.26395896     -0.70058449     -0.48403974
  H     -3.93986091     -3.19787454     -2.93380514
  O      1.14654535     -2.56477458     -1.32577523
  H     -0.36475950     -1.85266879      1.26392151
  H     -2.77397424     -3.25839639     -1.91576276
  O     -2.80181478      0.74355115      2.64373835
  H      0.91901848     -2.26909142      0.50451810
  H     -4.56888747     -0.31398561      5.47853456
  O      0.27492843     -0.06711564     -1.83504327
  H     -1.40124524     -4.40819560     -0.46397369
  H     -4.45263634     -1.54610278      6.39040793
  O     -3.62967331     -2.83195650     -2.11001411
  H     -0.44900617     -3.55816409     -1.34569256
  H     -2.34554514     -4.47150312      4.58787675
  O     -4.19136653     -0.61743296      6.31105389
  H     -2.10273142     -6.16887637      1.23537785
  H     -3.16694847     -3.61305477      3.58688180
  O     -2.35319816     -4.12873663      3.68451707
  H     -2.09656467     -4.87876157      2.08101930
  H     -3.59019271     -4.12908519      0.72286403
  O     -4.19191937     -3.37991582      0.61086569
  H      1.03863170     -0.25899958      1.86176014
  H     -4.19659011     -3.17090917     -0.33184867
          69
 Energy    -248.96598449639339     
  O     15.44234250     11.77020002     -9.15874444
  H     15.81194528     11.93322293     -8.29511001
  H     10.17688427     12.02421073    -12.29618704
  O     11.14306681     10.38072827    -14.58364979
  H     15.74206345     12.49664755     -9.73432798
  H     14.32712187     14.27960989    -16.98680245
  O     16.11273382      9.66404310    -10.94924375
  H     11.00156761     10.63814111    -15.50330846
  H     14.86928557     14.83567357    -18.32614852
  O     17.01067256     13.20628979    -13.57981051
  H     10.95665485     11.16269644    -14.04218640
  H     13.33521891     13.25793369    -12.44755379
  O     12.83921209     11.42081500    -10.18681507
  H     15.25452606      9.29455708    -11.18780651
  H     13.16166396     14.51815749    -11.56595235
  O     13.41984059      9.12777704    -11.67365349
  H     15.93358809     10.32005144    -10.26300665
  H     10.79968888     13.08777757    -16.15227151
  O     13.84901222      9.83030171    -14.31088867
  H     17.41837746     12.40479883    -13.21361331
  H     10.55725355     13.51105236    -14.69054553
  O     14.40862803     15.91950194    -11.35406085
  H     17.03149496     13.09818497    -14.54502240
  H     15.26533897     12.66474857    -13.60277186
  O     10.81007074      8.47973980    -12.59100808
  H     12.76177104     12.24174631    -10.69428687
  H     14.19896069     11.56324558    -13.89762822
  O     13.51148529     14.46810400    -15.45160898
  H     13.65820994     11.50397957     -9.68308870
  H     16.23536797     13.19169788    -16.83496500
  O     13.56617270     11.50924226    -17.88907194
  H     13.21485302      9.93064611    -11.17053158
  H     16.44903020     11.76477894    -16.30061724
  O     10.50820276     12.58577351    -13.01173130
  H     12.57097162      8.72167858    -11.88566642
  H     11.89522866     11.45054816    -17.44703240
  O     14.82141246     14.04697210    -17.79282113
  H     12.91940061      9.99882205    -14.52139070
  H     10.43568952     11.27013531    -17.92776484
  O     12.74697495     13.68163985    -11.80158850
  H     13.86133721      9.51040783    -13.39863436
  H     18.78198092     10.42911178    -12.44486394
  O     10.84103222     13.84230076    -15.55258314
  H     14.77587623     15.95473258    -12.25586468
  H     17.30248699     10.38613793    -12.02754988
  O     14.31830546     12.49564636    -13.68741003
  H     14.34433873     16.81910268    -11.04606356
  H     15.00194408      9.91118816    -15.65621090
  O     16.77725146     12.67014679    -16.23136102
  H     10.26824203      7.73621208    -12.84291702
  H     16.05359566      9.27511962    -16.59156928
  O     10.96705794     11.42876600    -17.15225126
  H     10.85105122      9.07041817    -13.36157623
  H     10.25288559      9.91288299    -11.36084540
  O     17.94225368     10.85811492    -12.58638771
  H     12.54791038     14.40492030    -15.51366558
  H     10.98138762     10.95468181    -10.49444297
  O     15.55981363     10.07626565    -16.43453870
  H     13.79150613     13.72259809    -14.90018065
  H     14.78146037     15.43340434    -14.45674142
  O     10.14455531     10.77513239    -10.94338489
  H     14.23901304     10.94597174    -17.48892723
  H     16.12272578     14.99993505    -13.81906123
  O     15.47163386     15.71054780    -13.83827180
  H     13.97503092     12.37865040    -17.98536732
  H     16.60328042     13.64834100    -11.68345945
  O     16.21700710     13.78183443    -10.81156400
  H     11.22786729     13.10015552    -12.61940145
  H     15.63279226     14.54629601    -10.89105202
          69
 Energy    -248.96589833332087     
  O     12.41491344     10.78859115    -15.55192628
  H     12.74977715     10.01266528    -16.02682752
  H     17.53750755     10.98734675    -15.72053721
  O     15.61031890      6.46029054    -12.76019671
  H     13.13466310     11.42789331    -15.54950285
  H     14.63440237      8.66803648    -15.07709641
  O     17.48249226     10.59071101    -11.82518048
  H     16.40894132      6.87001889    -12.40211035
  H     15.31033553      7.96062031    -13.87360688
  O     12.74458331      5.97979590    -15.80287620
  H     14.87691382      6.69968884    -12.17774645
  H     11.56329368     10.21501955    -14.16560477
  O     14.36665573     10.09393106     -8.91621124
  H     16.63032110     10.85289609    -12.20598894
  H     10.20289115     10.13915976    -13.43367575
  O     13.51248341      7.34254722    -11.18305186
  H     17.41313974     10.72370280    -10.87229608
  H     17.28675453      8.77265874     -9.06840093
  O     15.09030136     11.13705107    -13.04113548
  H     12.06607833      5.39239367    -16.12439691
  H     17.55326558      7.66810603    -10.10646849
  O     17.57401141      6.53578726    -16.46641239
  H     12.42186840      6.34226726    -14.95742322
  H     11.55713336      7.99102366    -13.50540248
  O     14.63513214      7.24468112     -8.61606272
  H     13.83461659     10.19980374     -9.71647887
  H     12.37984050      7.00517543    -12.66061207
  O     15.46955836      5.38153426    -15.27619823
  H     14.33445854      9.15453101     -8.69753340
  H     18.30542552     10.61298018    -13.51770606
  O     19.16010945      7.64659246    -14.48340064
  H     13.41153406      8.30031558    -11.28166905
  H     18.80723547      9.52214654    -14.48304266
  O     16.99951989     11.27612459    -16.47944764
  H     13.80441718      7.19136991    -10.27580240
  H     18.40209978      7.67343518    -12.75508686
  O     15.20951889      8.80958935    -14.31695428
  H     14.93405280     11.79189366    -13.72810688
  H     17.71694649      8.77905744    -11.92152477
  O     11.10725006      9.84053730    -13.39008943
  H     15.13962516     10.27663772    -13.49897997
  H     16.04767874     10.55081228     -8.99417034
  O     17.22351161      7.81985414     -9.21126801
  H     17.85090903      5.96472993    -17.17872729
  H     17.25163599     11.28112100     -8.35336794
  O     11.88557911      7.08385381    -13.48605604
  H     16.80591124      6.10367795    -16.04880577
  H     16.64986845      8.05376403    -17.21451149
  O     18.56945745     10.45562660    -14.43350505
  H     15.58105707      7.36638303     -8.81498247
  H     16.40814148      9.57696157    -17.21650794
  O     17.89458401      7.82700146    -11.94974692
  H     14.58474026      6.66180152     -7.86364402
  H     12.32830783     10.07305949    -11.99866746
  O     17.01169794     10.68026505     -9.05341245
  H     14.54275508      5.49614058    -15.51578838
  H     13.80065229     10.53637382    -11.94596686
  O     16.12729961      8.75092744    -17.62847748
  H     15.53142742      5.61335054    -14.33715279
  H     14.74604415     13.43461549    -15.77109735
  O     13.10392788     10.11030605    -11.42548503
  H     18.59250339      7.25877218    -15.16837466
  H     15.49618025     12.08763824    -15.86302443
  O     14.72510042     12.52909527    -15.47138805
  H     20.04056955      7.31007204    -14.63453509
  H     13.28590060      7.62603381    -16.51663082
  O     13.56742073      8.53883337    -16.64930465
  H     17.60623266     11.65859453    -17.10931613
  H     14.40542042      8.54223582    -17.13535086
          69
 Energy    -248.96569786723393     
  O     15.71758450      5.90407591     -8.27690140
  H     14.77541955      5.73993959     -8.46784178
  H     11.97651410      6.69931352    -14.90304144
  O     12.93158408      5.61783374    -15.93300218
  H     15.85457644      5.69067523     -7.35791834
  H     16.89089446      8.59946587    -12.65646093
  O     16.52146706      6.40683643    -15.16509294
  H     13.55160971      6.11964089    -16.47571765
  H     15.44900806      8.19878287    -13.12468923
  O     15.31859612     10.95605510    -14.27461434
  H     13.46454857      4.98162892    -15.43893652
  H     13.62441760      8.22650659    -11.93306943
  O     10.98073717      5.92974018    -11.88826792
  H     16.52154210      7.16906061    -14.56900699
  H     13.12213829      7.55801603    -13.25160756
  O     16.36150945      4.58182163    -10.69535067
  H     16.03752386      6.67436512    -15.95679710
  H     12.51682466      6.17681798     -9.16489455
  O     17.94268799      8.59356357    -11.16928057
  H     15.74628752     10.13428368    -13.97956106
  H     13.32170709      5.17078268    -10.01003681
  O     12.78582320     10.90682129    -12.90069792
  H     15.99443983     11.62845888    -14.29848885
  H     19.28261324      4.72165669    -14.99559051
  O     16.89928821      2.93989274    -13.02591971
  H     11.02589600      6.40873387    -12.72930436
  H     17.92389851      5.39924911    -14.70395144
  O     13.87254851      9.60331472    -16.31701226
  H     11.74284617      5.34208528    -11.89771731
  H     14.02792025      4.59425386    -12.69468699
  O     11.37162541      9.94710257    -15.00571344
  H     15.50208653      4.71937447    -11.11398256
  H     13.84399179      5.96706015    -12.02743008
  O     11.60462744      7.27223990    -14.21454062
  H     16.27479906      4.93782083     -9.80211313
  H     14.51232462      8.12158518    -16.93962698
  O     16.30311615      8.55569588    -13.42094698
  H     18.21112842      7.66998022    -11.33339323
  H     14.94978242      7.33556127    -18.19842122
  O     13.87754408      7.63226367    -12.65305230
  H     18.72407502      9.06269585    -10.89062457
  H     15.46785838      3.61793106    -13.95235294
  O     13.19100861      5.48945221     -9.10763053
  H     13.67246679     11.01287922    -13.26684646
  H     15.36085131      5.02674271    -14.56310590
  O     18.63133322      4.85947350    -14.31266117
  H     12.88986065     10.47958913    -12.04050092
  H     17.78381913      5.51230325    -11.35074118
  O     13.78604718      5.01318530    -11.85762899
  H     16.82135888      3.29287553    -12.13109369
  H     18.68541382      5.66215336    -12.59451107
  O     14.87090126      7.27064862    -17.25043907
  H     17.59807190      3.45564178    -13.44808745
  H     10.39483304      7.59750726     -9.23017355
  O     14.83380739      4.25727803    -14.30793934
  H     14.40955483     10.13350481    -15.71570924
  H     11.04795379      6.95791317    -10.47833115
  O     18.49962584      6.04256807    -11.72890850
  H     12.96492727      9.70546108    -16.00624947
  H     15.66261460      7.64680494     -9.06690556
  O     11.22788428      7.48906026     -9.68141271
  H     11.80653259     10.31941132    -14.21662451
  H     16.39768077      8.56788976    -10.05618615
  O     15.58488463      8.48095772     -9.54472663
  H     10.62954904     10.51114723    -15.20473961
  H     12.48727991      8.78735398    -10.18624506
  O     13.18888016      9.31713318    -10.58582268
  H     11.41826148      8.14116617    -14.58731466
  H     14.01887080      9.10399258    -10.12953353
          69
 Energy    -248.96557293505842     
  O     15.52152969      9.81775585    -10.34171763
  H     15.64604948      9.95239183    -11.29339952
  H     11.07234123      8.54177761     -7.57281203
  O     18.42314272      4.37415350    -10.08825003
  H     16.22378757      9.21988053    -10.05141052
  H     16.77336709      8.15062527     -5.86019664
  O     14.69076296      6.43199847    -14.22250723
  H     18.52050146      4.87006996     -9.26514859
  H     17.98708559      8.12946957     -4.91732332
  O     12.97631775      6.16287921    -10.05875919
  H     18.25407205      5.02685020    -10.78164355
  H     13.84913550      9.03247088    -10.74943458
  O     17.11477943      7.63856206    -14.30823656
  H     14.05475986      7.14630899    -14.08729409
  H     12.88802246      7.79943800    -10.73172359
  O     16.05714807      3.05473473    -10.07933008
  H     14.63518370      5.85546280    -13.44964090
  H     16.48379374      5.89293312    -11.84889606
  O     15.70818328      9.82653166    -13.07863926
  H     12.29416616      5.77639662     -9.49351556
  H     17.44438967      6.75127280    -12.71456411
  O     15.54564507      4.44020714     -7.65220527
  H     13.66005063      6.49539782     -9.45465088
  H     14.13178134      5.39275919    -11.20661917
  O     17.30927674      7.81692848     -9.60354153
  H     16.25850056      7.17725929    -14.38161043
  H     15.18308474      4.26018590    -11.26286643
  O     14.95743380      7.01063096     -8.41709678
  H     17.53689333      7.57809530    -15.16068554
  H     14.84505103      9.52785392     -6.72447040
  O     12.95367759      7.31361563     -5.41337333
  H     16.95381226      3.43663857    -10.09635219
  H     14.31795374      8.33615820     -5.83358272
  O     10.66860980      7.87291944     -6.99205630
  H     16.15261105      2.11807850    -10.23073174
  H     11.00254576      6.14502475     -7.70127795
  O     17.65562232      7.76652121     -5.73461360
  H     16.31278484      9.19484096    -13.48631042
  H     11.91479044      4.94727063     -7.37950874
  O     12.97034901      8.72428830    -11.01052215
  H     14.83489332      9.59406407    -13.41731620
  H     14.63820518     11.77644956     -7.94355792
  O     17.36804446      6.28724959    -11.87263929
  H     15.62997426      3.89373225     -8.44338303
  H     14.85431591     10.54827907     -8.85384005
  O     14.85960586      5.03630698    -11.73615172
  H     15.31967632      5.33634955     -7.94937550
  H     18.05092991      6.50531696     -6.94619355
  O     15.10587957      8.74122502     -6.23141054
  H     17.39483482      7.34201341    -10.44393385
  H     17.30859568      5.29363823     -7.54173820
  O     11.32296257      5.30372679     -8.05278614
  H     17.72128409      7.26485463     -8.92634455
  H     14.10595286      4.40449131     -6.55927492
  O     14.44737605     10.84472723     -8.02188786
  H     14.91081666      7.57230589     -7.63429851
  H     13.24167786      3.80914020     -5.42874029
  O     18.06468455      5.87678842     -7.68403022
  H     15.75030178      7.27756242     -8.90117349
  H     12.08602692      9.41099069     -9.48473490
  O     13.28366058      4.52543997     -6.05804262
  H     13.08573518      6.36656538     -5.54153988
  H     12.67121987     10.17041002     -8.28973585
  O     11.88334578      9.70038202     -8.58618236
  H     12.13070756      7.52998816     -5.86998965
  H     12.33262458      9.12602134    -14.14326904
  O     13.11031957      8.75847863    -13.73161167
  H      9.81270162      8.21004108     -6.74106695
  H     12.94967147      8.76458654    -12.77239658
          69
 Energy    -248.96478573323856     
  O     15.78633736      9.77473938    -16.84397620
  H     16.35853080      9.34085950    -16.19626287
  H     16.60020423     10.95601306    -17.84643573
  O     14.77219604     12.89442354    -15.19464133
  H     14.96125982      9.95417760    -16.37813626
  H     15.89666357     12.57948676    -11.41762182
  O     19.47781399      9.33686573    -11.33445367
  H     15.61917577     12.50359480    -14.92704799
  H     14.68763342     13.35752017    -11.94616702
  O     20.32467898     11.86536119    -11.97831957
  H     14.16627844     12.14888370    -15.27740025
  H     20.25528527     16.27947859    -13.41919210
  O     14.50923924     10.09931381    -12.68509386
  H     19.77578731     10.25041066    -11.48008080
  H     18.99936526     15.90057298    -12.62413406
  O     17.37160758      8.92733064    -14.68839351
  H     20.04941214      8.97451991    -10.66104352
  H     20.37609653     11.75017025    -15.31738791
  O     16.09179636     14.14583372    -17.35976627
  H     20.53485843     11.74440351    -12.91668096
  H     21.61818724     12.33925704    -14.59948715
  O     18.32464606     14.84946390    -15.91794372
  H     20.81195116     12.64481029    -11.68228619
  H     17.71362025      8.85236586    -11.67476305
  O     21.61630624     14.28239634    -11.46793675
  H     15.24538465      9.56936979    -12.36543457
  H     16.67932904      7.73998372    -11.41520153
  O     18.94971087     12.18260668    -16.31256411
  H     14.57592265     10.95225350    -12.22921073
  H     19.83256508     15.74893468    -15.57436763
  O     13.52106549     10.39531795    -15.18541483
  H     17.06979884      8.62428126    -13.82451999
  H     20.90816503     16.80513505    -15.90843148
  O     17.09895673     11.61974050    -18.35601466
  H     18.33994570      8.88240027    -14.66758286
  H     17.67061512     15.04865633    -14.18530334
  O     14.93114010     12.55428650    -11.47365896
  H     15.50116434     13.79856963    -16.67819523
  H     16.43980488     15.18803514    -13.23947541
  O     19.93477595     16.11998797    -12.52220325
  H     16.40729071     13.36451967    -17.83116369
  H     22.24094037     14.10717092    -13.31965802
  O     21.04390936     11.56108620    -14.64263226
  H     17.52175680     14.83181057    -16.45791363
  H     21.83819399     14.70458544    -14.67887510
  O     16.83738003      8.52741594    -11.93213579
  H     18.70270804     13.96508866    -16.02540159
  H     20.00171871      8.94610596    -13.22585928
  O     20.67306859     16.13286013    -15.27369984
  H     22.14062283     14.67491486    -10.77530423
  H     20.54529878      9.76454853    -14.41267839
  O     17.40443414     15.15898614    -13.26182425
  H     20.98979083     14.96607894    -11.76733488
  H     17.12429839     10.73065084    -14.41002574
  O     22.31888053     13.97358646    -14.27175224
  H     18.31186790     12.01615370    -15.59853534
  H     17.28568454     11.96752642    -13.45523641
  O     20.07232030      8.95197776    -14.18653489
  H     18.48584878     11.96507051    -17.12961314
  H     14.57938120     14.16947715    -13.99327035
  O     17.11990768     11.69574234    -14.36613854
  H     13.86055545     10.24320604    -14.28382161
  H     13.86480794     15.41097015    -13.40765227
  O     14.60624410     14.82590359    -13.27535102
  H     12.64752709     10.01559050    -15.21637130
  H     18.61784221     12.49976553    -11.82450849
  O     17.69376221     12.77192801    -11.87356076
  H     17.15334315     11.29042895    -19.24912295
  H     17.67166834     13.64803593    -12.28712271
          69
 Energy    -248.96467639037442     
  O     11.47103393     10.12279432    -10.61806993
  H     11.05575880     10.97227759    -10.49278687
  H     13.68455314      3.31762817    -11.88625223
  O     10.91216310      4.22123933    -10.63529732
  H     11.51081337      9.96873277    -11.57983915
  H     15.64666150      6.71843894    -14.13491707
  O     16.76110074      5.59708671    -13.27926298
  H     10.24616255      4.74412796    -11.09899296
  H     14.85650901      8.07358520    -14.16645920
  O     13.88901875      5.36551330    -16.32108211
  H     11.52736807      3.88832511    -11.29811305
  H     13.80521410      6.64397954    -13.19071877
  O     15.11891346      3.02586807    -10.83416625
  H     16.35812237      4.81904491    -13.69116138
  H     12.30380065      6.64969352    -12.81154666
  O     16.96918038      9.80887501    -10.31263717
  H     16.60211450      5.53331761    -12.32793702
  H     10.74453096      7.18972727     -9.24430998
  O     11.78614116      5.72037737     -8.55337689
  H     14.04689421      5.60291985    -17.23114992
  H     10.63420432      8.55199178     -9.98854839
  O     14.66219156      9.57261160    -13.20499188
  H     14.22668653      6.09761039    -15.77677896
  H     18.02729965      6.95829888    -13.14197812
  O     11.55825808      4.61847899    -14.88033542
  H     15.75817766      2.31716991    -10.86412319
  H     18.61240750      7.61714793    -11.88464842
  O     18.31355490      7.47539935     -9.98011046
  H     15.62390971      3.83068053    -10.64305135
  H     13.29300973      6.38733192     -9.34282761
  O     15.21939109      3.63559079    -14.46293685
  H     17.14937404     10.09855368    -11.21508637
  H     13.64704607      6.62938198    -10.83894771
  O     13.02465362      3.64092064    -12.51879901
  H     16.00604218      9.78343365    -10.23138128
  H     17.08845744      6.09618108    -10.23937577
  O     14.90655500      7.18727992    -14.54960008
  H     11.65365826      5.27069526     -7.72344522
  H     15.54532180      5.95510980    -10.21839406
  O     13.18236176      6.39936803    -12.49564868
  H     11.48348915      5.11433786     -9.25437149
  H     17.82231497      9.32073818    -13.11083720
  O     10.15633907      7.74201770     -9.77308656
  H     14.49069852      9.48984747    -12.25620695
  H     17.99049043     10.77928907    -13.59922547
  O     18.51205938      7.73683260    -12.83708056
  H     15.56446087      9.90981747    -13.28075497
  H      9.37581447      6.76819820    -10.96865130
  O     13.97064414      6.74334630     -9.92975282
  H     12.29737677      4.82119946    -15.46950711
  H      8.10578838      6.11721559    -11.57439078
  O     16.36274383      5.51216222    -10.49190828
  H     11.92251739      4.06132595    -14.18392358
  H     13.29435469      9.77765545    -10.37209009
  O     17.39572990     10.19636125    -13.13532054
  H     18.99065249      7.57860477     -9.31683451
  H     14.15518304      8.51036951    -10.15420173
  O      9.05458560      6.15782605    -11.65772700
  H     17.82585423      8.31821863    -10.01643595
  H     12.70281036      9.61241208    -13.46053799
  O     14.19681101      9.44056050    -10.42043423
  H     14.49694181      3.46721631    -13.84751716
  H     11.40358638      8.75600561    -13.55403847
  O     11.76032455      9.60351387    -13.25627740
  H     14.81426407      4.07375263    -15.22186097
  H     10.08152389      6.74396075    -13.06282898
  O     10.77105184      6.98368037    -13.69599061
  H     13.10030929      4.60856062    -12.51743156
  H     10.94751323      6.19346765    -14.22904540
          69
 Energy    -248.96467566847514     
  O     11.42466099     10.07288327    -10.64274476
  H     11.00341928     10.91842676    -10.51090244
  H     13.69888629      3.30761172    -12.01293625
  O     10.87253856      4.17469296    -10.86076005
  H     11.50751680      9.94753235    -11.60593716
  H     15.75639018      6.77313095    -14.06932904
  O     16.83251312      5.62630163    -13.19851859
  H     10.22743772      4.71144088    -11.33796922
  H     14.96718172      8.12893636    -14.09576247
  O     14.09943393      5.48669582    -16.37121161
  H     11.51704905      3.86142717    -11.50504674
  H     13.87466480      6.67131106    -13.21101030
  O     15.08506959      2.98403103    -10.90695180
  H     16.44905452      4.86104858    -13.65100877
  H     12.35780281      6.66634222    -12.89931975
  O     16.90396521      9.74770511    -10.10138461
  H     16.63124216      5.53427335    -12.25756947
  H     10.64019715      7.10045739     -9.39081274
  O     11.65124360      5.61074322     -8.69811410
  H     14.29759174      5.75105508    -17.26583859
  H     10.56198190      8.48434526    -10.09832045
  O     14.72873127      9.59871546    -13.09970990
  H     14.41177486      6.20210609    -15.79079518
  H     18.09005927      6.98229118    -12.96428515
  O     11.70729803      4.69800662    -15.05895198
  H     15.72568383      2.27627495    -10.92941931
  H     18.61779800      7.60313253    -11.66299414
  O     18.23427180      7.40480274     -9.77878380
  H     15.58028390      3.78257862    -10.66956405
  H     13.19126938      6.30031272     -9.39920633
  O     15.34703191      3.70159289    -14.50782714
  H     17.12403424     10.06407797    -10.98584785
  H     13.61157296      6.58669782    -10.87013561
  O     13.06761438      3.64988796    -12.66443008
  H     15.93818218      9.72024806    -10.06404460
  H     17.02325589      6.03443902    -10.13352673
  O     15.03511970      7.25442480    -14.50252108
  H     11.48222391      5.13657420     -7.88870135
  H     15.48085370      5.89344749    -10.18574779
  O     13.22159958      6.40635074    -12.55206879
  H     11.38077211      5.02599698     -9.42968283
  H     17.88171893      9.34283669    -12.87197740
  O     10.07571450      7.66850325     -9.92866286
  H     14.51510353      9.48777266    -12.16242246
  H     18.07020778     10.81523027    -13.30867798
  O     18.55999610      7.75119102    -12.61496998
  H     15.63317531      9.93765245    -13.12500362
  H      9.35030388      6.73107260    -11.18640233
  O     13.89412324      6.67337823     -9.94439753
  H     12.47182066      4.91788747    -15.60819801
  H      8.10919765      6.09898068    -11.86741553
  O     16.31008711      5.45850881    -10.43553035
  H     12.04058122      4.12019432    -14.36386204
  H     13.23550353      9.71979283    -10.32591672
  O     17.45584788     10.21897601    -12.88939838
  H     18.88096248      7.48792982     -9.08313546
  H     14.08689940      8.44621833    -10.10762855
  O      9.06073398      6.14165149    -11.90702740
  H     17.74789986      8.24852692     -9.81174943
  H     12.78268783      9.64693772    -13.44125677
  O     14.13952711      9.38391360    -10.34390422
  H     14.59795824      3.51524973    -13.93060208
  H     11.48973041      8.79423132    -13.61820810
  O     11.83202363      9.63234204    -13.27968267
  H     14.97582084      4.16234800    -15.27070710
  H     10.14888702      6.76899267    -13.24673755
  O     10.86579770      7.02718750    -13.84102932
  H     13.14224768      4.61702578    -12.63085283
  H     11.06661914      6.25313908    -14.38897249
          69
 Energy    -248.96439834240286     
  O     12.66780769     11.87687435    -14.81119543
  H     12.89846883     11.12709097    -15.37667154
  H     19.14955026      7.73649068    -12.99152399
  O     15.14470123      6.42756217    -13.64483121
  H     12.09831191     11.52785847    -14.11566140
  H     17.31013512     11.26963035    -15.85335285
  O     17.05814783      9.89337897    -10.75297450
  H     15.83575904      5.96897275    -13.15273083
  H     16.16572347     12.30933924    -15.74013736
  O     18.19736891      9.92934711    -14.92269920
  H     14.50400898      6.75355481    -12.99665137
  H     16.47284126      9.27426381    -14.65219432
  O     11.96628636      7.51369371    -16.13206918
  H     16.55240790     10.39213439    -11.41268686
  H     15.52108843      8.13396033    -14.15236681
  O     15.05177400      9.62882547     -8.85564824
  H     16.53603429      9.94190412     -9.94068928
  H     11.12232714      9.71980453    -13.02458470
  O     13.56805861      7.53572160    -11.64800465
  H     18.55679910      9.17780605    -15.41389253
  H     10.16775593     10.84490287    -12.55906511
  O     15.42968335     11.11215167    -12.59081442
  H     18.59009123      9.90463888    -14.04166040
  H     16.41635338      8.05485481    -10.57995350
  O     16.59390282      7.64308677    -17.43817215
  H     12.50359218      8.31791162    -16.23980819
  H     16.46055350      6.52478230    -10.78892399
  O     18.93284917      7.53591471    -16.15370731
  H     11.29661413      7.53609250    -16.81146659
  H     12.05920229      7.66740885    -12.82333796
  O     14.50979999      6.17309107    -16.35385988
  H     14.33106127      9.88936411     -9.44606181
  H     11.56527539      7.74899462    -14.29486618
  O     18.98940847      6.87033951    -13.38552009
  H     15.12799546      8.67328017     -8.94675161
  H     18.51393822      9.63895467    -11.69339785
  O     16.69760238     11.80995038    -16.37085074
  H     14.33524270      7.30007905    -11.10719545
  H     20.02287407      9.88345538    -11.91498220
  O     15.56787580      9.07017677    -14.38395402
  H     13.41503027      8.47295729    -11.46351094
  H     17.90748848      5.85329777    -12.52707463
  O     11.07907791     10.65970123    -12.77000936
  H     15.40670610     10.36681950    -13.21168671
  H     17.53401665      4.46121697    -11.95678677
  O     15.98715519      7.22728236    -10.32596960
  H     15.36508315     11.91333034    -13.12215072
  H     15.97273682     10.83450704    -17.60660900
  O     11.38080643      8.04641480    -13.39583765
  H     16.22895949      8.47193430    -17.76423684
  H     15.59937647     10.60469134    -19.09116953
  O     19.24534889      9.50801477    -12.32078950
  H     15.85025009      7.10629472    -17.12596805
  H     14.00603428     10.65210302    -11.55958619
  O     17.21582351      5.35418502    -12.05553293
  H     18.08582678      7.51285187    -16.63743259
  H     12.46978450     10.49921918    -11.50036833
  O     15.52916417     10.22152454    -18.22136139
  H     19.60800353      7.27263724    -16.77283884
  H     14.13568552     12.76141476    -14.60343197
  O     13.28519362     10.26561389    -11.04103774
  H     14.74114388      6.11488777    -15.41633909
  H     14.89912014     14.09555490    -14.41157623
  O     15.01856366     13.15117511    -14.46266071
  H     13.59726014      6.48137140    -16.36584118
  H     14.13953002      9.88534812    -17.05444972
  O     13.62894900      9.67734766    -16.26231246
  H     18.97275240      7.00268391    -14.34142109
  H     14.28038769      9.43770250    -15.58501910
          69
 Energy    -248.96428711209927     
  O     14.10583842      3.02075944    -12.08476905
  H     14.33632699      2.09576617    -12.11549286
  H     15.40250648      8.36406027    -11.01541505
  O     16.58055303     10.71582706    -15.24640303
  H     14.91711758      3.51933885    -12.27810602
  H     14.99950000      7.47999828    -13.21468681
  O     17.92877494      9.27137954    -11.68964309
  H     17.01293532      9.87429252    -15.02127406
  H     14.38726261      8.88055731    -12.95741416
  O     11.79792173      8.90163949    -14.03864042
  H     16.88006560     10.95454351    -16.11962672
  H     12.19324244      5.48576563    -12.42501074
  O     19.02858536      4.24721366    -12.84891717
  H     17.23530954      9.08531322    -11.04067490
  H     12.78061955      4.12623577    -12.85255444
  O     12.92617432      6.42708182    -15.22406378
  H     18.74286178      8.85747178    -11.37836482
  H     19.82803251      6.99755922    -10.62868507
  O     16.30297350      5.89798873    -10.01303711
  H     12.51587809      9.54289962    -14.14188657
  H     20.97808620      8.01925632    -10.44818154
  O     13.58042798     10.34687923     -9.95819927
  H     12.12756538      8.08170145    -14.42181290
  H     15.82047255      5.71156818    -13.91970903
  O     19.85422486      6.71836550    -13.60439857
  H     19.61900702      3.58206618    -13.19175379
  H     14.75763259      6.36451325    -14.88103339
  O     14.56406137     12.29439763    -11.82465300
  H     19.34396422      5.10440313    -13.18810420
  H     17.02837858     11.58463353    -13.55920587
  O     14.09798694     10.45896319    -13.89917745
  H     12.46923819      6.17168843    -16.02149206
  H     17.49128760     10.98748879    -12.22050600
  O     15.74344680      8.62088235    -10.14206418
  H     12.62977377      5.81676188    -14.52364730
  H     16.98452337      7.67562322    -14.45666623
  O     14.61988602      8.04516791    -12.53272389
  H     16.14431668      6.84551833     -9.91134987
  H     17.66013195      8.61925422    -13.39213415
  O     12.23152604      4.85723940    -13.15985554
  H     15.48823323      5.44467401     -9.74992195
  H     18.11352103      5.59245169    -10.02083297
  O     20.21584951      7.81807302    -10.98382434
  H     12.78394217      9.99516108    -10.37241180
  H     19.09512262      4.92545005    -11.00907592
  O     15.65742150      6.44077201    -14.53568201
  H     13.88251931     11.06270825    -10.53133289
  H     10.35077046      9.55109609    -11.24787756
  O     17.10640685     11.78097849    -12.61818956
  H     19.19540399      7.29345818    -14.01291229
  H     11.37958579      9.12010893    -12.31567075
  O     17.64781826      8.36910300    -14.32922000
  H     20.11676082      7.15515435    -12.78402684
  H     17.22155472      4.41501873    -12.68062032
  O     19.05318381      5.49518165    -10.23267322
  H     15.51023097     12.16757046    -12.01820136
  H     16.28206814      5.13997492    -11.67581068
  O     11.24450424      9.23704006    -11.35904000
  H     14.43022805     13.23211813    -11.71439702
  H     13.82232967      4.01076370    -10.39214291
  O     16.29918167      4.64715705    -12.50994614
  H     14.14543591     11.13842817    -13.21343811
  H     13.31678793      5.42995391    -10.07900476
  O     13.85641925      4.70743293     -9.72716555
  H     14.88081912     10.56473905    -14.45365594
  H     11.94180062      7.49796772    -11.01967406
  O     12.55454563      6.76512342    -11.14491864
  H     15.07051471      9.22757961     -9.80762209
  H     13.30397640      7.15361933    -11.61971411
          69
 Energy    -248.96423314583714     
  O     14.98513680     12.83956476    -12.06346843
  H     14.44558128     13.49866657    -12.49153274
  H     15.36018115      9.37775156     -6.12506437
  O     18.36195182      7.09968810     -3.88506003
  H     15.61905783     13.31789977    -11.50005516
  H     19.41647626     11.29641547    -10.98659352
  O     16.61121260     13.14723370     -7.74338573
  H     18.60087302      6.22832257     -3.58089998
  H     18.21927101     11.64162322    -11.92518094
  O     15.66482229      7.29660014     -4.20656903
  H     17.39865772      7.09190497     -4.02923329
  H     20.16061306      9.88724358     -7.19440597
  O     13.53793306     10.44630420     -8.08752565
  H     16.70440264     12.29477109     -8.20137764
  H     20.02913329     11.38863451     -7.53373725
  O     19.17231473     12.96399931     -6.77080892
  H     15.74908476     13.12738638     -7.31431391
  H     17.63991130     13.42024059    -10.69665389
  O     20.53300022      9.90376038    -10.46466031
  H     15.38217583      7.57380213     -5.08845836
  H     16.75348002     13.88614250     -9.52340720
  O     17.50705240      8.41081597     -8.07093866
  H     15.36522228      7.98863132     -3.60552678
  H     18.20699222      8.71436945     -2.82624610
  O     15.62716243     10.87148305     -5.06555861
  H     13.95419177      9.68674759     -7.65865745
  H     18.22535816     10.22490584     -3.12817415
  O     14.62052664     10.42395738    -10.67577756
  H     13.77241473     10.39492578     -9.02297024
  H     16.93118495      8.42259485    -11.71589962
  O     14.06258962     12.62463138     -6.59176493
  H     18.27211691     13.11552844     -7.10401925
  H     15.91021303      7.86990159    -12.73619511
  O     15.13047504      8.59655092     -6.65000488
  H     19.61965339     13.80639644     -6.79704896
  H     16.10837106     10.69575636     -9.64474939
  O     18.67540500     11.90129807    -11.10903157
  H     20.52772839     10.11736320     -9.51385184
  H     17.57668868     11.16998405     -9.84347696
  O     20.40511055     10.55763463     -7.84523461
  H     21.44138748      9.74196354    -10.70472464
  H     18.69677767     11.87365719     -5.32422787
  O     16.88372378     13.98255444    -10.47440478
  H     17.37343569      9.30751926     -8.41820543
  H     17.39076767     11.13333157     -4.91757267
  O     17.94042136      9.57261563     -2.47348891
  H     18.14285316      8.48164795     -7.34714516
  H     19.07602126      8.13154643     -5.28217898
  O     16.14298955      8.65072061    -12.24108272
  H     15.31241031     10.57336411     -4.20133651
  H     18.94708464      9.65019785     -5.50836307
  O     16.94070362     10.86259253     -9.18272826
  H     15.01950220     11.53014502     -5.42298587
  H     18.05288808      8.00255871     -9.80060373
  O     18.34578409     11.17967474     -4.75504795
  H     15.03114879      9.74623211    -11.22953154
  H     19.10673394      8.63630582    -10.72557343
  O     19.24715925      8.82903826     -5.92612464
  H     14.62996208     11.25080332    -11.17726703
  H     14.81456076      9.75857748     -1.72637267
  O     18.31563403      8.08499989    -10.72792298
  H     13.27587745     13.14613265     -6.46116457
  H     16.18777140      9.64593647     -2.43363177
  O     15.22405134      9.65689805     -2.58085231
  H     13.81331067     11.87482085     -7.16462831
  H     16.30706734     11.76091081    -12.99548628
  O     17.05053642     11.18127051    -13.20280315
  H     15.90512424      8.39866622     -7.19501492
  H     16.75068772     10.28469286    -13.00508250
          69
 Energy    -248.96371365812803     
  O     13.82256664      7.70633180    -16.34783942
  H     14.00182434      6.98488517    -16.94383802
  H     12.12389392     12.27495353    -13.26943213
  O     11.13069280      8.79359798    -10.66782420
  H     12.85665699      7.84034577    -16.34903543
  H     15.69934510      9.07211108    -10.73924726
  O     14.14364542      8.46898914    -13.67660074
  H     10.42921288      9.17400086    -10.12223983
  H     16.28363354     10.49324430    -11.05998052
  O     12.87389108     13.97385479     -8.60542906
  H     11.82385290      9.47050608    -10.72851227
  H     15.58766651      6.61651887    -11.53653587
  O     14.08310100     10.56733017    -16.63982137
  H     14.44296289      9.38655448    -13.75780429
  H     14.73893616      7.73195589    -12.18992373
  O     11.32200248      8.75880088    -13.41324469
  H     14.11538548      8.10126475    -14.56956900
  H     12.83744963     15.66984267    -11.26428822
  O     13.37283603      9.22902231     -7.02356681
  H     12.44146787     13.14209833     -8.37260367
  H     12.93604160     14.49392546    -10.26516024
  O     13.08742243     10.76618341    -10.68473562
  H     13.78833170     13.88212406     -8.30773875
  H     13.84854496      7.45223342     -9.86796222
  O     11.94235335     11.34809914     -8.24279693
  H     14.47381441     10.84190669    -15.79932445
  H     12.37474868      7.84243870     -9.66568756
  O     15.79084324     13.74889287    -10.83432886
  H     14.13426320      9.60399528    -16.65333845
  H     16.58527542     12.52289750    -11.74216857
  O      9.48035665     10.22951851     -8.95779861
  H     12.28285815      8.66702921    -13.45785500
  H     17.91805393     12.01048941    -12.34180236
  O     12.95455257     12.50476568    -12.82371400
  H     11.08684751      8.65137063    -12.48203426
  H     10.94245103     11.43434340    -15.09524909
  O     15.78160752      9.97822337    -10.41630807
  H     13.19301231      8.71731579     -6.23942626
  H     10.90269932     10.54255045    -13.84162264
  O     15.11787742      7.42510867    -11.34839951
  H     13.32269212      8.61150225     -7.77501115
  H     16.16263932     13.88050994     -7.33259209
  O     13.09734844     14.75570384    -11.18957504
  H     13.03637839     11.38313693    -11.42598942
  H     15.61419222     12.54062810     -7.87725385
  O     13.17816270      7.58786375     -9.19012741
  H     14.01270296     10.51950599    -10.56875210
  H     14.24752838     11.64811045    -13.65093628
  O     17.00448910     11.77444312    -12.20687196
  H     12.34595944     11.22487513     -9.11701313
  H     15.75457961     11.32193493    -13.51619084
  O     10.83834908     11.46140091    -14.13608556
  H     12.36458221     10.69350616     -7.67309353
  H     12.38040306     10.97266622    -16.84343719
  O     15.61150425     13.50534170     -8.01383452
  H     15.80374565     13.68836776     -9.87026561
  H     11.23236274     11.56881437    -17.69093497
  O     14.95938995     11.09666647    -14.01187135
  H     14.93921623     14.13771232    -11.06232900
  H     15.76509679     10.48060803     -8.66454344
  O     11.41339887     11.07296559    -16.89720324
  H      8.80026441     10.88878893     -9.07489926
  H     14.89478421     10.28265758     -7.40870785
  O     15.60646595     10.82168064     -7.77300411
  H     10.25650619     10.70412352     -8.62053671
  H     11.10920266      9.21564301    -16.50586334
  O     11.19144565      8.31151671    -16.17680274
  H     12.86929403     13.34971050    -12.36788974
  H     11.05020423      8.36543466    -15.22077968
          69
 Energy    -248.96368474802884     
  O     13.98016819      9.24283218     -9.76736797
  H     14.69324816      8.58992781     -9.64486839
  H     13.53617124      6.22799427    -15.34332181
  O     14.83317771      5.18699827    -12.53962761
  H     13.41393658      9.17686290     -9.00277457
  H     17.60026977      6.28931893    -15.53269373
  O     15.93584113     12.18404599    -12.58638360
  H     15.14909517      4.68459210    -13.30727554
  H     18.79140890      5.45365554    -16.05406962
  O     18.01100299     10.98322764    -14.20848606
  H     15.45040778      5.02325003    -11.81685698
  H     16.04327346      9.26880382    -15.95753528
  O     11.13978621      8.10923991    -15.63325674
  H     16.67672010     11.88450156    -13.12535547
  H     16.65131090     10.59317438    -15.46307620
  O     16.10835584      7.58564253     -9.44555975
  H     15.14165214     11.97412150    -13.09412722
  H     15.00690456      8.31144623    -12.80280959
  O     12.70976302      6.64468573    -13.73841375
  H     18.16592086     10.23031165    -13.61390488
  H     15.53825604      6.86216550    -12.81268644
  O     13.87231983     11.12246995    -14.19329238
  H     18.86102459     11.38660370    -14.36703521
  H     17.34731083      4.42795904    -10.19934825
  O     13.61782419      9.98100760    -17.64119478
  H     11.50324118      7.79752706    -16.47160698
  H     17.62192695      5.43310237    -11.34208266
  O     15.71306851      4.08575039    -14.89871458
  H     11.51120794      7.53777591    -14.95011897
  H     18.31886258      9.11244402    -11.52914864
  O     16.28076795      7.50312244    -15.66623833
  H     16.36734856      6.74228961     -9.83385108
  H     17.35527838      8.48904948    -12.57986103
  O     14.02099938      6.00112493    -16.15048145
  H     16.88786066      8.15407475     -9.48184186
  H     18.61014117      5.80078981    -13.48891468
  O     18.18415059      5.54125815    -15.32332025
  H     13.24786331      6.01527386    -13.24072696
  H     18.75120080      7.01264102    -12.54544993
  O     15.89305950     10.22506612    -15.93324753
  H     12.84571501      7.49748608    -13.29804125
  H     18.78759118      9.85197695     -9.09278619
  O     15.78979366      7.77850011    -12.98948522
  H     14.55065970     10.79537601    -14.80172862
  H     17.46226671     10.20003873     -9.81747943
  O     16.95884044      5.14912094    -10.68787087
  H     13.04372617     11.14116705    -14.68849966
  H     12.30933059      7.38871422    -18.93449209
  O     18.24468738      8.86025391    -12.45918121
  H     14.45520284     10.15775153    -17.19522396
  H     13.01369943      8.37062677    -17.96662981
  O     18.71888332      6.04777241    -12.56242988
  H     12.93331349     10.39201016    -17.09784715
  H     16.01654589     11.61067017    -10.89317965
  O     18.17761999      9.53858916     -9.75423123
  H     15.12053508      4.58586962    -15.47681848
  H     15.28239973     10.66490900     -9.90785326
  O     12.60044753      7.49104417    -18.03263686
  H     16.60121421      4.41793701    -15.07393460
  H     11.37264805      9.84726183    -15.65447193
  O     16.08446796     11.18588968    -10.02467435
  H     16.14842157      7.64922189    -14.71597214
  H     10.77067229     11.25511746    -15.88028597
  O     11.59482014     10.78803636    -15.77396469
  H     15.51278277      6.99450279    -15.96310277
  H     13.49612456      9.19101456    -11.53190216
  O     13.37975811      9.01807611    -12.47521776
  H     13.53827954      6.39475278    -16.88768560
  H     13.50109486      9.83856875    -12.97190731
          69
 Energy    -248.96366202764830     
  O     16.73697748     10.75824404    -11.47829405
  H     15.99019224     10.20712211    -11.75203894
  H     17.47753195      5.51028755    -13.28644753
  O     14.71119414      6.22625117     -7.07816492
  H     17.55502525     10.31134036    -11.74026232
  H     16.56547438      7.53241041     -9.20194638
  O     16.86588238     13.17837416    -10.25411779
  H     15.02605740      7.05009616     -6.66225118
  H     16.05236469      6.27781174     -8.45825450
  O     14.68401012      9.03496906    -12.20839094
  H     14.73216838      5.55398804     -6.40234122
  H     18.65372165      8.69128484    -13.58839819
  O     19.06018514      9.35420934    -11.90432360
  H     16.58995691     13.88132529    -10.83651286
  H     18.47414201      7.23768975    -14.04478514
  O     20.94500611     10.61577939    -10.27569846
  H     16.76631940     12.34749146    -10.75029258
  H     17.53142938     12.33757625     -6.77699932
  O     18.89739427      6.83700744    -10.68873916
  H     14.67177417      8.15225404    -11.81327856
  H     18.55966785     12.64829575     -5.66067252
  O     12.74344464      6.75349268     -9.02287280
  H     14.89482100      8.89628997    -13.14110993
  H     15.46328605      8.59073888    -15.66851867
  O     16.02915092     12.62693089     -7.57593278
  H     19.77326962      9.82508795    -11.45560424
  H     16.60264296      8.33933387    -14.65255497
  O     12.83064920      9.50580533     -9.97759403
  H     18.96755984      8.50020822    -11.45686149
  H     17.31170320      9.41329007     -8.42854308
  O     14.44985099     10.34028522     -7.88325507
  H     20.41006958     11.31425914     -9.85669043
  H     16.82605422      9.84534242     -9.87079858
  O     18.44244790      5.52109697    -13.15316320
  H     21.82079144     10.97230678    -10.39562796
  H     19.16792294     12.39209815     -8.16710261
  O     16.54978680      6.56006596     -9.23274604
  H     18.11599815      6.62429798    -10.15907017
  H     18.58035409     12.80184912     -9.53196109
  O     18.30852473      8.15036582    -14.31129898
  H     18.83429076      6.30825645    -11.49431130
  H     16.54945568      8.76519376     -6.20630846
  O     18.43010867     12.13713265     -6.45455686
  H     13.38523689      6.59106064     -8.31396462
  H     15.10252153      9.23019026     -6.49900399
  O     15.63503564      8.33641927    -14.76594638
  H     11.90789390      6.40484080     -8.72037540
  H     13.80403031      6.42813337    -10.56518704
  O     16.66114490      9.25614532     -9.12753375
  H     16.20324615     12.88848527     -8.48840907
  H     15.34000423      6.39848065    -10.55170638
  O     19.37788934     12.46514817     -9.10633903
  H     15.36730297     11.92334797     -7.61591492
  H     19.84562647      7.76530236     -9.25056493
  O     15.62070445      8.54259469     -6.05811142
  H     13.34754536      9.47848083    -10.79129218
  H     20.52156289      9.14096046     -9.12416608
  O     14.57434618      6.42608758    -11.14438075
  H     12.74045378      8.58978675     -9.68780723
  H     18.42208079     10.28677713     -6.65248831
  O     20.14801418      8.41700892     -8.60673971
  H     15.22406039      9.94669586     -8.31579468
  H     18.99700625      9.00217752     -7.35160954
  O     18.23671544      9.36493486     -6.87142687
  H     13.73101108     10.20207745     -8.51307439
  H     15.25954700      5.83306502    -12.74978583
  O     15.76475143      5.71907717    -13.56656498
  H     18.77972435      4.71011536    -13.52436460
  H     15.61421928      6.52202518    -14.07982694
          69
 Energy    -248.96355706936311     
  O     11.66186023     11.55615422    -15.86649728
  H     11.82850880     10.82071531    -15.25174267
  H     14.53112511     10.02126900    -12.31660331
  O     14.46992754      9.96356527    -19.65589511
  H     10.86138420     11.98348894    -15.57355210
  H     17.47175692      9.13034010    -14.43716461
  O     11.43294138      7.40616698    -17.32864898
  H     14.17791155     10.08725116    -20.55548762
  H     16.65554330      7.81659965    -14.15712655
  O     12.70510439      7.31849430    -10.57198754
  H     13.66864149     10.01451468    -19.10158057
  H     14.10882234      4.83659702    -11.44424065
  O     14.48823397     11.82900411    -15.73645072
  H     11.11505815      7.25549475    -16.42947371
  H     15.19382778      4.70096422    -10.34792056
  O     17.06634447     10.60386761    -18.76970172
  H     12.02937326      6.67190208    -17.51364913
  H     14.09131962      6.10554924    -17.94615612
  O     18.04280767     10.84057216    -13.99725209
  H     13.09258874      8.10243175    -10.98571561
  H     13.58508169      4.66609598    -18.20764038
  O     12.85188694      4.24263302    -12.51662473
  H     13.42478083      6.67910737    -10.50717041
  H     15.34981217      6.40244814    -12.35512676
  O     12.24516379      9.92422825    -18.16880442
  H     14.59108453     10.88041835    -15.91154632
  H     14.78000116      6.55069509    -13.78812648
  O     14.66019964      9.05364698    -15.99275597
  H     13.54538727     12.00373519    -15.82213307
  H     11.37068408      6.56597333    -11.40299233
  O     15.02930765      7.48955159    -18.39228020
  H     17.54476823     10.88332470    -19.54775072
  H      9.94862819      5.95870391    -11.35228260
  O     14.03970443      9.20985317    -12.11961911
  H     16.15094610     10.45025862    -19.04992874
  H     12.66337090      6.18394978    -14.72917479
  O     17.09507327      8.33866245    -14.84264819
  H     18.87265248     11.19908970    -13.69505728
  H     13.60092402      5.51099993    -15.75521247
  O     14.76512882      5.33098748    -10.92030671
  H     17.82787077     11.29099677    -14.83477627
  H     17.56943396      8.91502771    -17.92441346
  O     13.50258275      5.40589455    -17.61198135
  H     12.02944337      4.70137872    -12.30459175
  H     17.55260218      8.06290959    -16.63152283
  O     15.38998733      6.94922588    -13.14934957
  H     13.11367533      4.57388940    -13.38690051
  H     12.87217486      9.41411264    -13.48891673
  O     10.70778214      6.07099820    -11.91794243
  H     11.90626370      9.05336581    -17.91166829
  H     13.16327839      9.19284271    -14.98831556
  O     13.51102341      5.72508169    -14.81946575
  H     11.97982943     10.53963951    -17.47785683
  H     10.80461860      6.72218147    -13.66462858
  O     17.58057985      8.00737380    -17.59709577
  H     14.62061580      8.53922953    -16.80493107
  H     11.44504903      7.92771554    -14.41372888
  O     12.45389749      9.40029561    -14.36018612
  H     15.50221867      8.83791631    -15.56948225
  H     16.26109931     12.14956345    -16.12547210
  O     11.05991078      7.04629782    -14.53699067
  H     14.82426981      8.23385116    -18.96880005
  H     17.23918563     11.56469519    -17.15437078
  O     17.20238545     12.00019015    -16.29491687
  H     15.96966458      7.54884644    -18.15976003
  H     16.33644826     11.25087069    -13.22178662
  O     15.39856515     11.39083896    -13.04546737
  H     14.55368273      8.47239186    -12.47775986
  H     15.01470285     11.65880767    -13.88971052
          69
 Energy    -248.96351517083301     
  O     -6.35863162      3.78545257     -0.71857466
  H     -6.71637112      3.20408629     -1.39957665
  H     -5.86103951      0.75739017      4.85231257
  O     -2.71199777      1.31586912     -4.07594658
  H     -6.60180884      3.37236270      0.11890352
  H     -0.06906475      1.70541276      2.24136408
  O     -6.41248716      2.13485197      1.62133003
  H     -2.83664070      0.94578023     -4.94624327
  H     -1.32734543      0.81903661      2.14717756
  O     -4.48301735     -1.01118696      2.12461186
  H     -3.52049305      1.11212713     -3.57849102
  H     -2.61543251      3.55282379     -0.01858222
  O     -1.56706148     -1.38596557     -0.99717682
  H     -6.28883665      1.72394282      2.48652412
  H     -1.71855179      2.57995568      0.85784600
  O     -4.89147949      0.68095217     -2.48990121
  H     -5.67010201      1.82861634      1.07168785
  H     -0.03257035     -1.39822441      2.12545454
  O     -6.24667260     -2.12859635      0.26269578
  H     -5.15802303     -1.46658948      1.60548116
  H      1.29079614     -0.61686770      2.11327390
  O     -4.28826251     -1.91735753     -1.58290414
  H     -4.91965898     -0.48874983      2.80942633
  H      2.51946568      1.69746029      1.93371772
  O     -0.96785068      1.15566911     -1.95738838
  H     -1.39620983     -0.51014036     -1.37407884
  H      1.65927506      1.07269534      0.81009670
  O     -1.78648580     -0.87699559      1.73528628
  H     -0.71419966     -1.83657633     -0.95524509
  H     -7.67829618      1.16104755     -1.58937891
  O      1.07112945     -2.29684416     -0.54654277
  H     -4.68155856      0.83804188     -1.55632367
  H     -8.29402923      1.74817397     -2.88260022
  O     -5.53789446      0.82819807      3.95868466
  H     -5.78663316      1.01424291     -2.62089056
  H     -2.46321919      2.16232023      3.46882560
  O     -1.03035996      1.72533679      2.32323928
  H     -5.54782136     -2.11014333     -0.41720804
  H     -3.67206812      3.13183014      3.46826210
  O     -2.11470410      2.72796990     -0.01245371
  H     -6.63964328     -2.99683822      0.22921831
  H     -7.47447845      0.85900905      0.60689007
  O      0.92653437     -1.50878204      2.05804964
  H     -3.34217354     -1.85468081     -1.39793971
  H     -7.30356781     -0.56137903      0.02348993
  O      1.68808085      1.26250411      1.76552124
  H     -4.51697372     -1.11222069     -2.06597245
  H     -3.50582847      1.60633903      0.17311313
  O     -7.49179444      1.71549669     -2.36886707
  H     -1.47010369      1.25379895     -2.77773486
  H     -4.18434180      0.33130839      0.79221436
  O     -3.31898248      2.32909807      3.88019095
  H     -1.33678011      1.78232912     -1.31853802
  H     -4.75890151      4.52233385     -0.48301606
  O     -7.78498858      0.26775067     -0.08917989
  H     -1.74146008     -1.05065234      0.78424936
  H     -3.81219189      5.73414328     -0.64003621
  O     -4.31321442      1.07539655      0.19247098
  H     -2.69367903     -1.06087034      2.01131543
  H     -5.37740550      3.72949653      2.26780049
  O     -3.90157355      4.88990330     -0.20523646
  H      1.60941382     -3.07158796     -0.68209111
  H     -4.33836976      4.66855370      1.65006587
  O     -4.65414294      4.32491603      2.49418624
  H      1.08095001     -2.11054548      0.40957695
  H      0.73443577      0.83578459     -1.32851434
  O      1.52000191      0.53866452     -0.84838812
  H     -4.70626172      1.33889977      3.99747098
  H      1.49302174     -0.42503646     -0.87570319
          69
 Energy    -248.96298352095715     
  O     13.26788478      6.88215273    -16.06460128
  H     13.43885773      6.41562784    -15.23272396
  H     19.58239276      6.50717078    -17.19143703
  O     18.21070991      6.40571818    -12.13476484
  H     13.15316797      7.80559630    -15.82127597
  H     18.84408136     10.30127827    -16.57784619
  O     19.07321668      7.75429806    -18.63230719
  H     17.80013922      7.27790118    -12.24575070
  H     19.36202223      9.02587927    -17.33171310
  O     16.36984202      8.06070165    -18.69723224
  H     19.02556193      6.41059744    -12.65125255
  H     17.17445328      8.25341462    -14.36753147
  O     14.20161633      7.37670988     -9.95289193
  H     18.10513992      7.83908324    -18.69454105
  H     18.08685443      8.42886219    -15.61981055
  O     13.97466064      5.83712863    -13.60974854
  H     19.40073798      7.69420317    -19.52569043
  H     13.52279357      9.25276445    -14.04020513
  O     16.89748624      8.73444727    -12.66134578
  H     15.84193471      7.26670574    -18.54283715
  H     12.45331662     10.07777812    -14.78556142
  O     16.89920252      5.40558509    -16.04411983
  H     15.99545789      8.73889310    -18.12216914
  H     15.86285666      3.72361594    -12.02533364
  O     13.08754731      4.97205201    -11.16056061
  H     14.06492071      7.71213748     -9.07082248
  H     15.72549410      2.49001465    -11.10516194
  O     20.37998100      9.41302019    -13.91482281
  H     15.04730180      6.89319246     -9.93771048
  H     20.18219063      6.31849797    -14.77381263
  O     14.84880056      5.78892002    -17.95416825
  H     13.50394517      5.49125011    -12.83745575
  H     21.28760315      6.09055817    -13.72369528
  O     19.62941817      5.92811621    -16.42279686
  H     14.85533382      5.44185836    -13.59902750
  H     17.11910356      5.23628886    -12.97909623
  O     19.39586184      9.51210726    -16.49866104
  H     15.93773023      8.77141632    -12.58420278
  H     16.67552220      4.72966483    -14.38051858
  O     17.26702777      8.02898705    -15.30296760
  H     17.25015055      9.62394679    -12.82043547
  H     16.17597845      4.95205808    -10.23536264
  O     13.24545882      9.56245860    -14.91814555
  H     17.00341888      6.33705841    -15.78671087
  H     17.18179665      6.05746870    -10.59870854
  O     15.50372787      3.41484709    -11.17609436
  H     16.22991285      5.39044508    -16.73711545
  H     16.75424376     11.06293430    -16.40888081
  O     20.44084951      6.51054384    -13.85640781
  H     13.33126475      5.75197867    -10.64682655
  H     17.35167644     12.46530959    -16.67092129
  O     16.50860083      4.63634705    -13.43282559
  H     13.81273521      4.34291522    -11.04998954
  H     14.05540968      8.21671160    -11.61811213
  O     16.45123821      5.84720917    -10.00240839
  H     20.22379946      9.49017146    -14.86762851
  H     14.09476338      7.52122175    -12.98889983
  O     17.54085744     11.61789325    -16.27643120
  H     20.46009188      8.46656157    -13.75656868
  H     18.99352133     10.53873874    -13.50261244
  O     14.11626950      8.39384781    -12.56562038
  H     14.33061139      5.19420886    -18.48939653
  H     17.95280283     11.33468629    -14.32359096
  O     18.14400364     11.00488061    -13.44025912
  H     14.23724430      6.19347145    -17.31173544
  H     14.70555735      9.79314303    -16.06049194
  O     15.53329297      9.75843087    -16.55336939
  H     18.74340867      5.54902544    -16.34209012
  H     16.08281580      9.08837336    -16.11475664
          69
 Energy    -248.96291884146410     
  O     15.89503928      9.92273114    -16.69037543
  H     14.98117223      9.62380746    -16.61790839
  H     18.01793347      6.96553836    -15.41764068
  O     17.46251677      4.76107386    -13.56031235
  H     16.29335712      9.56069049    -17.49317996
  H     19.15366168      5.30186559    -10.96789248
  O     15.88396469     11.92134635    -10.35699291
  H     16.51260941      4.70754981    -13.71229035
  H     18.25564436      5.51583332    -12.20695372
  O     18.69264380     10.15455321    -13.28534223
  H     17.84406158      5.11555761    -14.37569556
  H     18.64308319     11.99299928    -15.60440132
  O     16.51093370      6.39930876    -17.79387337
  H     16.68145628     11.35982496    -10.32585491
  H     20.11885535     12.46286555    -15.56579374
  O     14.27183338      9.55610490    -10.56114453
  H     15.99021275     12.59322406     -9.68983530
  H     16.53382984      8.00686025    -14.14749181
  O     15.29647574      7.40843299    -13.02836558
  H     18.20444364      9.47711818    -13.78369955
  H     16.74451588      8.91577301    -15.41080041
  O     16.10037445     11.54146988    -13.13535278
  H     19.11528152     10.72831437    -13.93675973
  H     13.42189756      9.34764492    -14.98084065
  O     20.32953954      7.80466314    -13.00717947
  H     16.83305508      7.19056217    -18.23980662
  H     12.45110306      9.33371443    -16.18050450
  O     14.61897472      4.92912864    -14.06182576
  H     17.21112269      6.15688147    -17.17257996
  H     17.39532793      7.13188167    -10.75549503
  O     20.99458626      7.34719778    -15.60342473
  H     14.69924895     10.40301874    -10.37795080
  H     16.15412983      7.62236798    -11.49466555
  O     18.44087626      6.16528698    -15.76815276
  H     14.94426856      8.88993929    -10.38080547
  H     14.96533447      6.34614058    -16.89548518
  O     18.72871865      5.97720078    -11.49094602
  H     14.65402727      8.11704550    -13.15618195
  H     13.87289882      7.22613267    -16.22167338
  O     19.56050444     11.69776727    -15.45735476
  H     14.92630683      6.56763146    -13.32420408
  H     17.53024354      9.34395904    -10.51012628
  O     17.19811072      8.41207145    -14.72275815
  H     16.93409681     11.05546508    -13.13795557
  H     18.37674364     10.25113226    -11.41821933
  O     13.32574129      9.06750754    -15.90597340
  H     15.95973625     11.82548645    -12.22265130
  H     20.14884557      8.69279394    -16.64626257
  O     16.65926103      7.75113551    -10.67733488
  H     19.88460364      8.65780615    -12.95452045
  H     19.68024450     10.16464926    -16.58687810
  O     14.19669416      6.32407017    -16.30450007
  H     19.81311957      7.19508838    -12.46511747
  H     14.62437620     10.42030797    -13.39671052
  O     17.95675504     10.21286471    -10.55068715
  H     13.96547176      4.24375883    -13.95709400
  H     13.78684146      9.70033115    -12.33423321
  O     19.65907589      9.36839098    -17.13058156
  H     14.44626362      5.35671492    -14.92162215
  H     16.54243281     11.54678840    -16.16329193
  O     13.88831745      9.80026938    -13.29286725
  H     20.81139151      7.49491611    -14.65826604
  H     16.55560092     12.27865736    -14.81778018
  O     16.93957026     12.30077450    -15.70390463
  H     21.89819623      7.04969714    -15.66474461
  H     18.30752286      9.05263067    -18.18345749
  O     17.50754900      8.91065201    -18.72178069
  H     19.37850370      6.37818505    -15.82719690
  H     17.72811766      9.16357921    -19.61395252
          69
 Energy    -248.96277817420156     
  O      2.12267448     -1.76325240      4.74071555
  H      1.51876395     -2.12106146      4.07595822
  H     -0.69177487      2.02346726      1.79253950
  O      3.78135101      1.05173427      6.67215443
  H      2.32312905     -0.85274687      4.47533130
  H      0.00315255      2.55902254      3.95951177
  O     -3.96625326     -2.49701985      6.50892165
  H      3.04405652      1.52546713      7.07543871
  H     -0.64624238      1.74803546      5.11408886
  O     -1.75292502     -0.99161336      9.50076872
  H      3.73919293      0.13988197      6.98362294
  H     -0.65802810     -0.03450650      0.83059403
  O      0.18864856     -2.43529778      2.89447192
  H     -3.10511145     -2.86155686      6.76531522
  H     -1.77167473      0.01015534      1.89179342
  O     -1.16287349     -4.45416319      4.41914026
  H     -4.01248380     -1.62953393      6.92397062
  H      1.52609392      3.55487670      7.52283654
  O      3.65482650     -1.84764382      7.03183719
  H     -0.97505886     -0.42679906      9.38806166
  H      0.95560762      2.58412353      6.46888656
  O      1.96348353     -2.04429991      9.30983393
  H     -1.41454934     -1.89138556      9.55264758
  H      1.42351169      1.86982460      1.59773225
  O     -0.27647941     -3.57485474      9.48530722
  H      0.50063127     -2.10061774      2.04439719
  H      2.46063951      1.08250954      2.40381153
  O     -2.19563990     -1.01654823      3.33805142
  H     -0.61151907     -1.93013053      3.10016400
  H     -0.48560352     -1.93086883      6.63473267
  O      0.96611351     -1.06416839      0.55451508
  H     -2.06326503     -4.19736957      4.18165138
  H      0.74933972     -1.36074359      5.86268873
  O     -0.21948536      2.80424548      2.13540474
  H     -0.59026139     -3.93679754      3.83930114
  H     -4.57018500     -3.64217764      3.60294292
  O      0.13915261      2.25739919      4.86733413
  H      3.15117083     -1.93942215      6.20647656
  H     -3.93951641     -2.98969770      4.85823042
  O     -1.34909187      0.53136958      1.19446286
  H      4.49227457     -2.28281753      6.88683671
  H      0.41555081     -0.20935801      7.91738688
  O      1.41348525      2.62824245      7.32361210
  H      1.59467844     -1.15051628      9.29264284
  H      0.83209876      1.19458519      8.40165673
  O      2.11769069      1.20660237      1.50741384
  H      2.58712013     -2.07483905      8.57417300
  H     -2.99682724     -0.34871131      8.44865621
  O      0.01739423     -1.12587692      6.44380925
  H      0.56758364     -3.09140246      9.44225447
  H     -4.27975029      0.50365465      8.32692609
  O     -3.76658489     -3.25223369      3.93521882
  H     -0.22034882     -4.15367878     10.24069717
  H     -1.18328841     -3.96216069      6.17867799
  O      0.58421442      0.31896017      8.71557590
  H     -2.81131402     -1.74616730      3.48238254
  H     -0.97082356     -3.73634433      7.74935479
  O     -3.63344821      0.02622849      7.81367081
  H     -2.21326654     -0.45375107      4.12314754
  H      1.70901703      1.33355082      4.43864564
  O     -1.39829305     -3.41389762      6.94747805
  H      1.45448888     -0.27967590      0.86260300
  H      3.12772110      1.03419299      4.99630012
  O      2.55080130      0.90737983      4.22928211
  H      1.33985469     -1.30650798     -0.28839712
  H     -1.21909648     -0.03803514      5.90442560
  O     -1.92711101      0.56802215      5.62809713
  H     -0.54942973      3.55738850      1.65262321
  H     -2.59454565      0.52544927      6.32256173
          69
 Energy    -248.96271844653069     
  O     17.58314979      8.49450783    -15.41501561
  H     16.62399027      8.52693210    -15.30451446
  H     16.09139924      5.99163679    -16.69393140
  O     16.80828151      1.78892954    -12.88047466
  H     17.77050607      7.66108968    -15.85884777
  H     18.46127555      1.56482110    -12.48198462
  O     20.63490641      6.29347741    -13.25065169
  H     16.70280116      2.20681698    -13.74338130
  H     19.66877080      0.77336119    -11.91509630
  O     14.14581384      3.73755312    -15.90682379
  H     16.24164056      2.25792599    -12.25521639
  H     13.70833045      7.49281429     -9.41104126
  O     17.85691288      5.62248993    -16.10050161
  H     20.31580452      5.59517748    -12.66146210
  H     12.17618809      7.57988903     -9.61001407
  O     13.75312186      4.53898597     -9.02028312
  H     20.68963015      5.89183254    -14.12481932
  H     18.69067511      4.51800631    -11.00070760
  O     16.65951807      7.67908637    -10.93837840
  H     14.41301204      4.59079752    -16.29634070
  H     19.37541043      3.38087873    -11.83869676
  O     19.62660957      2.48426851    -15.04112387
  H     13.37538479      3.43967730    -16.38183844
  H     14.43684037      4.42628301    -14.19537913
  O     17.29039025      5.12350799     -9.95492476
  H     18.80467059      5.45710750    -16.18753682
  H     15.66762291      5.04764054    -13.45476820
  O     17.36935500      5.54942716    -13.41695119
  H     17.67535375      5.62606607    -15.14566415
  H     19.38075215      7.56388315    -12.97227902
  O     20.54179925      4.91697139    -15.82594415
  H     14.15213775      4.03543828     -9.74282118
  H     18.30114429      8.38692818    -13.74789673
  O     15.13258320      6.10703930    -16.72430558
  H     13.37947183      5.33641838     -9.41300268
  H     14.31853487      6.45245967    -12.75748533
  O     19.42529639      1.59421006    -12.33304425
  H     15.87467172      7.61997500    -11.49849867
  H     13.70792489      7.36017570    -11.65323788
  O     12.96751504      7.18005386     -9.96176239
  H     17.38940250      7.96943475    -11.50369118
  H     14.98949603      3.90883754    -11.87189125
  O     19.25403828      4.33506024    -11.76547682
  H     18.69418128      2.40826199    -15.27722844
  H     16.03899780      3.98165689    -10.72746102
  O     14.72092703      4.84361946    -13.37493273
  H     19.70106525      2.13455422    -14.14505602
  H     15.88985445      3.00445953    -15.74845003
  O     18.54687158      8.04854567    -12.87529991
  H     16.97381271      5.13288908     -9.04352218
  H     17.20529987      3.78490122    -15.81698935
  O     14.25934600      7.36911602    -12.44581729
  H     17.10799758      6.00276723    -10.31755951
  H     15.90094244      4.90952895     -6.64398534
  O     15.32864394      3.43721036    -11.09662206
  H     17.98214966      4.97263933    -12.94162360
  H     15.08593346      4.97348525     -7.95955851
  O     16.83109524      2.93822001    -15.54419518
  H     17.64996772      6.45197462    -13.21362148
  H     15.81443686      7.96825664     -9.29839498
  O     15.88894999      5.29925709     -7.51362733
  H     21.31150282      4.83239815    -16.38263759
  H     15.48832762      7.11022429     -8.05848070
  O     15.19036165      7.87623149     -8.56421257
  H     20.30170705      4.01736290    -15.53935084
  H     14.55480823      8.08988478    -14.07366909
  O     14.75444975      8.36106414    -14.98383934
  H     14.93523476      6.87843392    -16.17892867
  H     14.19853654      9.11466135    -15.17050179
          69
 Energy    -248.96242341852422     
  O     13.10254009     13.37451040     -9.31823358
  H     13.40376582     12.48604239     -9.05696589
  H     12.67271845     11.68777671    -12.58088026
  O     14.38681108     11.72149108    -16.94466769
  H     12.60582078     13.72290164     -8.58247792
  H     12.39236858     13.41688687    -11.09086501
  O     17.36841375     10.06037683    -10.98604881
  H     14.29669966     12.48677308    -16.36037814
  H     12.58568928     14.15724802    -12.42720815
  O     13.61745935     15.65736609    -13.19369995
  H     14.25118933     10.94687910    -16.38169127
  H     18.05203994     14.28173294    -14.61637948
  O     14.42398754      9.71647650    -14.98688727
  H     17.74918161     10.58730675    -11.70151169
  H     19.22861298     14.89903594    -13.82255950
  O     17.66079579      7.46636611    -11.77299163
  H     17.57071922      9.13174734    -11.17435199
  H     15.16077818     11.20800755     -8.54465808
  O     17.86533805      7.61224875    -14.61974486
  H     14.54141410     15.71759004    -12.89398503
  H     14.21577287     10.33016546     -9.37377651
  O     15.57127841     12.44509979    -12.78391958
  H     13.28614717     16.55089802    -13.23284929
  H     16.01715222     11.70397151    -17.51533086
  O     14.59510497      9.36661992    -10.95287355
  H     13.89829448     10.08958026    -14.26764370
  H     17.10862627     11.56793394    -18.60581729
  O     17.15019824     10.20031971    -15.30298515
  H     14.50620757      8.76495979    -14.82843375
  H     15.98710651      7.11313637    -14.52432307
  O     17.17821452     14.05904895    -16.07701143
  H     16.79579751      7.05453866    -11.65381816
  H     14.90694987      6.88051715    -13.45484555
  O     13.30223821     10.98030262    -12.77073849
  H     17.82281306      7.46897604    -12.72500722
  H     17.72438482     11.68652679     -8.25696258
  O     12.15708952     13.39189439    -12.02689414
  H     18.50559417      7.24965063    -15.22715816
  H     17.18967726     11.09398001     -9.58145790
  O     18.46032540     14.34077730    -13.73284026
  H     17.69901131      8.52619796    -14.90189662
  H     16.13688250     15.14275392    -11.49738850
  O     14.22864809     10.98986465     -8.66804420
  H     16.47018714     12.12358906    -12.91430001
  H     16.95799286     15.25730608    -12.79395003
  O     16.98109881     11.69063156    -17.66953449
  H     15.56930413     12.95490041    -11.96366672
  H     17.95192972     11.14473937    -13.96066559
  O     15.03244849      7.10435320    -14.38548371
  H     15.50815925      9.67258774    -11.04288758
  H     18.41900086     12.51509308    -13.34532154
  O     16.99365131     11.72657440     -8.86826600
  H     14.04963872      9.86993398    -11.57496906
  H     14.38979636      6.14217150    -10.99517601
  O     16.22679026     15.65838930    -12.31158927
  H     16.20227129     10.07902127    -15.13804396
  H     14.70284483      7.62680117    -11.29288927
  O     18.19248102     11.59840576    -13.13924380
  H     17.22629397     10.66366683    -16.14635343
  H     16.21861070     13.17166758     -9.78371788
  O     14.90387977      6.71338819    -11.55967656
  H     16.25113562     14.08915008    -15.80000213
  H     14.79917840     13.77130799     -9.95953097
  O     15.69895370     13.79028831    -10.31189403
  H     17.24204408     13.32118925    -16.69341322
  H     14.95562897     13.27444698    -14.29516541
  O     14.59987453     13.78485875    -15.03763879
  H     14.15953368     11.43765227    -12.79345556
  H     14.11696996     14.50923161    -14.62511224
          69
 Energy    -248.96226029230888     
  O      1.15455492      3.43973714      2.55161450
  H      0.39403372      3.99772697      2.76875310
  H      5.33146526      3.49910197     -0.57695603
  O     -1.05452793      5.06995120      2.83278343
  H      1.76195424      3.97848001      2.01691410
  H      0.46131089      7.50097782      4.23874773
  O      2.63200965      4.97249089      4.59103280
  H     -0.91932772      5.82050727      2.23497453
  H     -0.20987563      6.11700505      4.25878055
  O      4.77658818      5.33252949      2.97461757
  H     -1.72710811      4.51460878      2.42221535
  H      4.81812919      2.25320530      2.39008253
  O      3.62301529      3.00776607     -1.05620424
  H      2.16600427      4.25192534      4.15762303
  H      6.23999935      2.13864362      2.98071398
  O      5.44901705      6.56173045     -0.70264286
  H      1.95337356      5.64658980      4.74592606
  H      1.19395263      1.30059733     -0.21806241
  O      0.46410816      8.99351898      3.04397830
  H      5.19452662      4.46544422      2.90438421
  H      1.78129877     -0.01348371     -0.78173367
  O     -2.59723790      3.37301374      1.14383926
  H      4.07413800      5.27180939      3.64234823
  H      3.75087873      7.64034367     -3.10334322
  O     -0.08097090      2.54757576      0.18471749
  H      3.23451955      3.42632252     -1.83948943
  H      4.22947037      6.83159421     -1.87104955
  O      2.72535891      8.69213755      1.58186596
  H      3.15411511      2.18154457     -0.90073879
  H     -0.43876007      7.93810260      1.78409205
  O      5.37942928      7.75508824      1.91118882
  H      5.49626447      7.04384530      0.12955783
  H      0.10956707      7.16346558      0.56757833
  O      6.07410815      3.91787981     -0.11828550
  H      5.75792312      5.66260725     -0.51750253
  H      2.47963229      2.05291078      2.50359689
  O      0.44251750      6.66202778      4.71495493
  H      1.32457877      8.94673193      2.58978404
  H      2.91462925      1.10355663      1.38300057
  O      5.66450898      2.72148683      2.49189575
  H      0.33679771      9.90225998      3.30268755
  H      3.62057521      5.02611093      1.55280618
  O      2.01186219      0.78719549     -0.31697210
  H     -1.80941644      2.95310333      0.76449221
  H      3.22505707      4.18140627      0.28900670
  O      3.47087812      6.99144097     -2.46390021
  H     -3.26326328      2.69353506      1.21668022
  H      0.61821449      5.46524147     -1.13949725
  O     -0.66500516      7.25619361      1.13841795
  H      0.01459813      3.28440171     -0.43856457
  H     -0.85929298      5.08022794     -1.35088775
  O      3.21728520      1.50653856      2.20493233
  H      0.33668851      2.81272407      1.01679532
  H      1.47847357      4.46673326     -2.72957220
  O      2.89672597      4.80211283      0.95460591
  H      2.43564326      8.16019834      0.83231811
  H      2.76427835      5.28457007     -2.99518015
  O      0.04764411      4.76743034     -1.48421339
  H      3.64792932      8.45529139      1.73552494
  H     -2.64278738      4.98160346      0.00320688
  O      2.38553910      4.39810581     -3.05444304
  H      6.12841756      8.15946400      2.34175618
  H     -1.97286226      6.37105716      0.01306150
  O     -2.37082848      5.70927589     -0.56841771
  H      5.22687553      6.90264088      2.35544816
  H      2.13583193      6.13553267      0.15141336
  O      1.68576580      6.82691781     -0.36327625
  H      6.09784167      3.49992486      0.74902183
  H      2.22915140      7.00177449     -1.14389920
          69
 Energy    -248.96216726453628     
  O     14.46188860      4.47137170    -10.36977466
  H     14.77616409      5.18489260     -9.80184961
  H     11.85390664      8.72276155    -14.20000229
  O     14.37222794      9.11905447    -16.49041131
  H     15.16125068      4.32439763    -11.01924483
  H     16.76162590     10.27446275    -11.67927391
  O     18.02033213      8.82613525    -14.42949904
  H     13.89988689      9.22825879    -17.31243724
  H     17.25162565      9.35690371    -12.86481957
  O     16.36359065     11.95629752    -11.10757332
  H     13.71244653      9.16786608    -15.77992038
  H     15.21383251      8.69665763    -12.35980868
  O     10.53481377      7.56336221    -13.72244245
  H     17.40654786      8.20816964    -14.85635756
  H     13.97689421      8.23136826    -11.55905029
  O     11.83605552      5.20829200    -13.73668297
  H     18.68569302      8.28393098    -13.99005894
  H     12.77291718      4.46506396    -10.77089947
  O     17.47805810      6.94716703    -10.88811143
  H     16.02502426     12.27636408    -11.96540582
  H     11.41260574      3.77106832    -10.53919711
  O     13.70520167     11.03870230    -10.45974877
  H     16.86248568     12.67035762    -10.72175063
  H     20.37690106      6.86787256    -12.49101853
  O     18.05749560      5.11539340    -14.54403373
  H     10.96933240      6.69322236    -13.79752606
  H     18.89089041      6.90114327    -12.07735649
  O     15.30573945     12.61390130    -13.47241428
  H      9.62915083      7.44142131    -13.99386458
  H     14.43213700      6.68741395    -13.27107467
  O     12.61281196     11.72666012    -13.05865522
  H     12.78065678      5.35282537    -13.88839743
  H     15.16041510      5.32485838    -13.27457612
  O     12.65329268      9.25410902    -14.31112488
  H     11.77420873      4.84184827    -12.84525508
  H     15.68406784     10.36846916    -15.85173794
  O     16.82902292      9.36534689    -11.99506254
  H     17.25959454      7.82652618    -11.23495328
  H     17.05812915     10.32685787    -15.16108966
  O     14.35691667      8.25878926    -12.44551395
  H     16.90436202      6.82696820    -10.12160153
  H     15.60120497      6.60583440    -15.03283796
  O     11.82473685      4.50381471    -10.98900366
  H     13.26422343     11.28952185    -11.28011877
  H     15.62654543      7.72617473    -16.08351186
  O     19.49209954      6.95846226    -12.83712284
  H     14.60663713     11.37264862    -10.53941074
  H     11.36653689      6.33043706    -10.86359553
  O     14.53918770      5.86750808    -13.77684746
  H     18.67094103      5.69553532    -14.07598404
  H     10.93254953      7.48845755    -11.77919001
  O     16.33324157     10.91792774    -15.39714377
  H     17.53278539      5.69222180    -15.11169276
  H     17.08146063      4.59031486    -13.06998693
  O     16.19298873      7.09616035    -15.62301264
  H     15.67817855     12.08256879    -14.19242700
  H     16.86159335      5.41725919    -11.78636659
  O     11.22089839      7.28598097    -10.88311859
  H     14.36610977     12.40351190    -13.42576220
  H     14.74433802      7.35533160     -9.19528584
  O     16.53899922      4.64426511    -12.27003881
  H     12.56268453     10.89365419    -13.55324643
  H     15.49182184      6.77723593     -7.97239932
  O     15.44780064      6.73904210     -8.92460312
  H     11.79126777     12.18761105    -13.21144182
  H     12.59372319      8.06114193    -10.06583154
  O     13.46710990      8.38775535     -9.80018464
  H     13.28939765      8.92997544    -13.65250379
  H     13.49528625      9.34930174     -9.91988797
          69
 Energy    -248.96191654901187     
  O     -1.63896097      4.67967435      2.31180494
  H     -1.17889685      4.15246027      2.97849902
  H      1.39038756      1.79579051      1.37237881
  O     -2.91087100      5.55434315     -1.13195838
  H     -2.22415492      4.08775846      1.81639160
  H     -0.11155452      3.69044047     -2.42102741
  O      4.47453376      6.54705215      0.73899274
  H     -2.86880128      6.20260566     -0.41866704
  H     -0.28411337      2.27249253     -1.78425230
  O      1.94002442      7.01346983      1.86812898
  H     -2.01817371      5.51518648     -1.50577419
  H      0.79895794      7.97663413     -1.37904822
  O     -0.27564774      5.35926901     -1.91091901
  H      5.26449147      7.06018458      0.59231743
  H      1.18821238      8.48256572     -2.79004091
  O      2.53092035      2.90258239      0.40962154
  H      4.12874395      6.30582667     -0.13855812
  H     -2.85566926      0.79832931     -2.82140834
  O      0.60173017      4.90021265      0.62352062
  H      2.84603734      6.96833755      1.53690685
  H     -3.83563636      0.66280580     -1.64702601
  O     -2.32891526      7.10688477      1.18046567
  H      1.90431477      6.47311747      2.67370724
  H      2.76389511      4.74373768      3.46034574
  O     -1.16692012      1.47232415     -0.40912737
  H      0.05044847      5.20492928     -1.00828852
  H      1.32186869      4.44217583      3.93094085
  O     -3.12709850      3.27249072      0.47572076
  H      0.15243921      6.16670312     -2.21824148
  H     -3.64216564      3.29906899     -3.29162513
  O      0.14089614      8.27806002      0.19385044
  H      2.75858705      2.88266069     -0.52509888
  H     -3.92980827      4.48270903     -2.33258434
  O      0.59155887      1.45528239      1.79722090
  H      1.85614326      3.59370970      0.50125714
  H     -2.08501158      2.05503664     -4.97959579
  O      0.02240898      2.74143943     -2.57514732
  H      1.10255837      5.63609410      1.00209864
  H     -1.41367211      2.38164801     -3.62789062
  O      1.15648537      7.70218081     -2.24406182
  H     -0.14506139      4.74032972      1.21269984
  H     -0.12405124      2.52992959      4.68765504
  O     -3.04527339      0.26843575     -2.03749444
  H     -2.85874540      7.63931982      1.76966468
  H      0.18896008      2.42829631      3.17621282
  O      1.97140646      5.14708958      3.84836225
  H     -2.06673144      6.31762091      1.68323463
  H      3.26381595      2.67854381     -3.04547670
  O     -4.33887069      3.73147244     -2.78133747
  H     -1.72305821      0.86305533     -0.91550353
  H      1.82594796      2.95824853     -2.55611717
  O     -2.26766943      2.21093494     -4.05598255
  H     -1.77451723      2.12859248     -0.04205345
  H      4.38986291      4.96435336      1.85934019
  O     -0.05403730      3.04640634      3.88929575
  H     -3.08096785      4.04101485     -0.11203876
  H      3.68306582      3.61344002      1.71086778
  O      2.75763915      3.19454911     -2.42218178
  H     -3.87868232      2.74656127      0.17616174
  H     -6.09049733      1.79396124     -0.89856658
  O      4.11986672      4.18365015      2.35770450
  H      0.78142924      7.97952054      0.85695504
  H     -4.96610983      2.56668735     -1.63266709
  O     -5.14504295      1.90931566     -0.93525744
  H     -0.71483243      7.94687563      0.48677448
  H      2.63028365      6.52275819     -1.92037939
  O      3.34598325      5.93371050     -1.65301527
  H     -0.03307457      1.30929440      1.07549074
  H      3.12259286      5.05018297     -1.96632720
          69
 Energy    -248.96183182912830     
  O     20.99359342     10.60800234    -16.57395411
  H     21.38030992     11.48594651    -16.40255863
  H     18.19459144     11.50391653    -17.87613273
  O     17.23686542     18.74224872    -15.48536868
  H     21.71871698     10.01275143    -16.74196961
  H     14.15071025     13.75681653    -14.55148973
  O     21.99220954     14.06264079    -13.39059570
  H     17.18953160     19.67872637    -15.65666064
  H     15.17604023     13.22531872    -13.51484350
  O     13.89237658     15.18865959    -15.72082654
  H     17.65267537     18.33437144    -16.26721110
  H     20.43570378     16.74696022    -14.17677489
  O     16.80005534     11.44142862    -16.61638025
  H     22.68715056     14.15323540    -12.74483975
  H     21.12821505     16.20942466    -15.45184011
  O     16.68750512     10.55129165    -12.87363183
  H     21.79595274     14.95697383    -13.72509358
  H     17.69597445     13.35187305    -12.69600370
  O     14.71367795     10.49572027    -14.97509384
  H     13.08336754     15.53064047    -16.09072815
  H     16.60674834     12.33613192    -12.38114014
  O     21.92311214     13.09285660    -16.05949808
  H     14.32078716     15.92301785    -15.24516347
  H     18.02478652     15.05633228    -19.34439383
  O     20.40880582     15.34439532    -17.06544458
  H     16.06201555     11.00714172    -16.17158950
  H     16.78467839     15.04389008    -18.43732367
  O     15.21226788     17.09187366    -14.36014884
  H     16.53464715     12.36270021    -16.75490900
  H     18.04751790     16.81241566    -13.04841717
  O     19.32551392     13.16559259    -13.43788108
  H     17.49966751     10.47662581    -13.39046455
  H     18.21406134     17.81067290    -14.23507724
  O     19.02105404     11.65254244    -18.35310945
  H     15.97630562     10.36832575    -13.49969214
  H     17.94608124     16.96125450    -18.13602100
  O     14.37885207     12.99429611    -14.00664384
  H     13.88871926     10.02172599    -15.02963052
  H     19.29276724     17.05139938    -17.42011243
  O     21.27596194     16.41278049    -14.52035358
  H     14.50573465     11.38933731    -14.64429488
  H     16.36183790     16.22070534    -11.19796711
  O     16.77010188     13.28980431    -12.41846705
  H     22.07175910     13.34891441    -15.14102895
  H     16.61979275     15.04740482    -12.16371738
  O     17.26112832     15.58426919    -19.08242264
  H     21.49246552     13.84772785    -16.47670104
  H     19.59637922     10.60510058    -15.32807586
  O     18.66681176     17.13041826    -13.71740721
  H     19.63582496     15.12444436    -16.52076942
  H     18.12178308     11.06395351    -15.41281313
  O     18.46752811     17.52694934    -17.54573164
  H     20.23948585     14.97071628    -17.94127897
  H     18.65789867     14.19487539    -14.73390575
  O     16.61336177     16.01666317    -12.09587135
  H     15.63532493     16.76006678    -13.55918707
  H     18.33052538     15.69630664    -14.86023944
  O     18.82831104     10.83320830    -14.79082256
  H     15.83901665     17.69443763    -14.77912825
  H     19.41753352     13.17413518    -19.07440972
  O     18.29888257     14.85884281    -15.33855732
  H     20.25598562     13.38933657    -13.32642854
  H     20.08143878     13.89226790    -20.27310265
  O     19.67091244     14.04656375    -19.42652272
  H     19.26038586     12.30203129    -13.87339668
  H     15.36157731     14.47076979    -16.58989684
  O     16.18994084     14.11883092    -16.93658130
  H     19.70881263     11.21884202    -17.83398100
  H     16.90122563     14.42532824    -16.35249035
          69
 Ord_Energy   -248.961761    
 O    4.54717588      -2.22289419       6.99481106    
 H    3.72923708      -2.67766118       7.23378563    
 H    4.78064537      -1.66333187       7.74869299    
 O    3.61865258       3.76199293       9.40707493    
 H    3.51110148       4.37926388       10.1258869    
 H    4.50693417       3.91630673       9.03725147    
 O    2.01977444      -3.19752550       7.74015903    
 H    1.65388477      -2.43512321       8.22407055    
 H    1.72943544      -3.98038816       8.20067120    
 O    6.98745966      -1.57329702       5.77968454    
 H    6.99625874      -1.55112863       4.81388140    
 H    6.17368412      -1.99935544       6.07938671    
 O   0.852927208      -2.07405615       5.34149122    
 H   0.291540027      -1.38387394       5.71681929    
 H    1.17059326      -2.58973432       6.09344578    
 O    5.99640322       4.25066662       8.20904732    
 H    5.82793331       4.53127193       7.30125332    
 H    6.76722527       3.67008972       8.18668556    
 O    5.79956102       2.57967496       4.33852100    
 H    5.56692266       3.46590233       4.63639879    
 H    5.76960230       2.01663160       5.12799788    
 O    2.73737311       4.10342741       6.68524885    
 H    2.89975643       4.08411932       7.63614845    
 H    2.47257257       3.20344353       6.45076132    
 O    6.06871367      0.973314524       6.55748081    
 H    6.47078276      0.160966322       6.21728802    
 H    6.75702286       1.47444499       7.01719999    
 O    2.12738824       1.38434243       6.44785166    
 H    2.42672944       1.24426055       7.35779762    
 H    2.58398485      0.739893317       5.89041138    
 O    7.08390141      -1.09397185       3.03104711    
 H    7.22104311      -1.59379363       2.23156500    
 H    6.24164486     -0.613577127       2.92411017    
 O    4.81387806      0.336342067       2.96082544    
 H    5.04194784       1.21634340       3.28846931    
 H    4.18558645      -3.55422013E-02   3.59607196    
 O    9.89716530       1.47056437       6.13787079    
 H    9.35568142       1.43087995       5.32862139    
 H    10.7596235       1.77987599       5.87479448    
 O    8.30930710       1.34253848       3.95819116    
 H    8.03094673      0.504735112       3.57084560    
 H    7.51541996       1.89321923       3.99422169    
 O    7.98205280      -1.47881899E-02   9.71522331    
 H    8.41975403     -0.438333839       8.95332909    
 H    8.47270012     -0.267918676       10.4922476    
 O    8.02757835       2.30571055       8.05628204    
 H    8.05917263       1.62572622       8.74189949    
 H    8.75505257       2.12937069       7.44405127    
 O    2.89256549       1.06475055       9.12978268    
 H    3.10364795       1.98606372       9.32813644    
 H    3.72360730      0.570460081       9.17202473    
 O  -0.349958986      0.189871982       6.65135336    
 H   -1.08105934      0.769738257       6.45523977    
 H   0.461717188      0.709663272       6.52256680    
 O    5.28835106     -0.265437067       8.86593437    
 H    5.44007063      0.236912444       8.04851055    
 H    6.13524008     -0.268039465       9.32606697    
 O    3.22648191     -0.718734503       4.98929548    
 H    3.76318359      -1.19025457       5.63829851    
 H    2.38890815      -1.20162928       4.93009424    
 O    9.11544132     -0.952489316       7.45335054    
 H    8.43519878      -1.30466270       6.86148167    
 H    9.51491737     -0.210461259       6.98328543    
 O    5.05226898       4.98232365       5.58894110    
 H    4.95086002       5.87168980       5.26059246    
 H    4.17743683       4.70210505       5.91503572    
 O   0.966670692     -0.981037319       8.90164757    
 H   0.367380589     -0.604156494       8.24509621    
 H    1.58045685     -0.272017270       9.13550949    
          69
 Ord_Energy   -248.961533    
 O   -8.13207912      -6.42321491      0.948722661    
 H   -7.78868628      -6.36748314       1.85498857    
 H   -7.54468679      -7.01956749      0.467832446    
 O   -3.95066094      -3.80965996       4.04800606    
 H   -4.87906790      -3.65985203       4.26678085    
 H   -3.53009081      -2.94481158       3.91323495    
 O   -9.22017479      -3.51220584       5.47323036    
 H   -9.57729149      -3.34975433       6.34195089    
 H   -9.43758965      -4.43317652       5.24391556    
 O   -4.85460377      -1.39635909       1.14138901    
 H   -4.59187984      -2.32321858       1.21769631    
 H   -5.77876854      -1.36868227       1.42256939    
 O   -2.86077619      -1.47593057       3.21674824    
 H   -2.09263206      -1.78504717       2.71169972    
 H   -3.49311137      -1.14646590       2.56863570    
 O   -9.66688824      -6.02101755       4.51104116    
 H   -8.76490402      -6.28081703       4.27677822    
 H   -10.1244726      -5.90124178       3.66982555    
 O   -9.97410583      -2.74206614       2.79302478    
 H   -9.83283234      -2.88954067       3.73641324    
 H   -10.2393332      -3.59578395       2.43058777    
 O   -4.38324881      -4.26323080       1.36042213    
 H   -4.13366890      -4.11149549       2.28449750    
 H   -3.59632111      -4.45465374      0.831858337    
 O   -3.85987377      -1.74881709      -1.45426571    
 H   -4.24749660      -1.44035327     -0.624010682    
 H   -4.49274731      -2.36280537      -1.84430563    
 O   -5.74402094      -3.70125937      -2.38771462    
 H   -6.24611902      -3.79968166      -1.56041324    
 H   -6.37928438      -3.52248526      -3.07696676    
 O   -7.47977638      -2.06469560       1.85814285    
 H   -7.35426760      -2.71560574       1.15359199    
 H   -8.40439701      -2.14257717       2.13543129    
 O   -6.83590317      -4.11644840       7.79547989E-02
 H   -7.36624432      -4.88642216      0.316812605    
 H   -5.97843552      -4.21294737      0.520690382    
 O   -4.47663736      -6.16247702      -1.60666370    
 H   -3.64043641      -5.89075422      -1.20480239    
 H   -4.85184622      -5.36927366      -2.00624371    
 O  -0.575760961      -5.49252796       1.92291927    
 H   -1.22160947      -5.76039076       2.60069942    
 H   0.245213658      -5.92578268       2.13953948    
 O   -6.72628880      -3.50747514       4.15566683    
 H   -6.92125082      -2.96553850       3.37842178    
 H   -7.48847914      -3.42733479       4.74274778    
 O  -0.865331709      -2.61448431       1.66760004    
 H  -0.945628583      -2.51830554      0.711399198    
 H  -0.678826809      -3.54730773       1.82403588    
 O   -7.05314779      -6.20399427       3.48430467    
 H   -6.21136141      -6.58707380       3.20784116    
 H   -6.88888264      -5.27811050       3.71401310    
 O   -2.26616096      -5.08068514     -0.253088802    
 H   -1.90189552      -4.28804111     -0.671239972    
 H   -1.63453853      -5.35270882      0.426205337    
 O   -1.33269835      -2.62650299      -1.17638886    
 H  -0.760939062      -2.25580311      -1.84260225    
 H   -2.21634889      -2.23981547      -1.31485569    
 O   -4.76269579      -7.00915813       2.11524844    
 H   -4.61927223      -6.10463190       1.80479479    
 H   -5.12685299      -7.48695040       1.36077297    
 O   -2.52669740      -6.16735744       3.66706872    
 H   -2.96166611      -5.36562157       3.99288464    
 H   -3.22128463      -6.69523716       3.25582099    
 O   -6.04819012      -7.90239954     -0.262095481    
 H   -6.00660992      -8.75453949     -0.688050449    
 H   -5.49743509      -7.29700613     -0.791593611    
 O   -10.5603399      -5.42227077       1.83624983    
 H   -9.77863598      -5.80868721       1.41008365    
 H   -11.3179989      -5.71741724       1.33645225    
          69
 Energy    -248.96144123538045     
  O     -0.31834570      0.72407488      2.03045000
  H     -0.25553561     -0.07504027      2.56889603
  H      4.04872698      2.09463057      1.48835091
  O     -0.87963499     -2.31986314      0.35693241
  H     -0.26956598      1.46765175      2.64531855
  H      2.29536078     -2.38321989      2.02119933
  O      3.81377488     -1.39501033      2.47009449
  H     -0.64599068     -1.73836594     -0.38242042
  H      1.78061221     -3.83116186      1.91477821
  O     -3.29621283     -1.78992005      1.43748256
  H     -0.05267365     -2.54746206      0.79237938
  H      0.73886296      4.28507440      1.31856752
  O      1.52573160      3.58838240     -0.21746667
  H      3.86002383     -0.45619355      2.22354042
  H     -0.54335726      5.03160552      1.73942551
  O     -0.11094126     -0.50495013     -1.59595282
  H      4.71626400     -1.70269678      2.51857283
  H      2.06828082      4.94709963      2.90338740
  O     -2.67010712     -0.66379508      4.01437601
  H     -3.89481115     -2.50175846      1.22996697
  H      3.46580702      4.58692550      2.37259562
  O     -2.21629005      5.24816185      0.93380008
  H     -2.42882763     -2.03460624      1.06355256
  H     -1.41674308      4.53552524     -0.66480263
  O     -2.85352005      1.99236045      4.58473961
  H      1.51837965      2.62152165     -0.18359475
  H     -1.30575907      3.30687139     -1.60267639
  O     -0.20985003      2.71075610      3.93293562
  H      0.75203035      3.85686462     -0.73465462
  H      2.49452392      0.47210607      4.81297548
  O      0.01444623     -1.42080599      3.81494067
  H     -0.72154109      0.19779853     -1.84394918
  H      2.96353521     -0.86076860      4.20099507
  O      3.74229868      1.29420625      1.93112277
  H      0.61902881     -0.06525299     -1.13822318
  H     -3.10346702     -0.04550590      0.83535599
  O      1.49654652     -2.91921406      1.90450487
  H     -2.99785206     -1.05861111      3.19797822
  H     -1.85162018      0.81153688      1.09582336
  O      0.29757399      4.69676250      2.07498355
  H     -1.76753159     -0.99788668      4.11267820
  H      2.42985491      0.89683076      0.66263500
  O      2.97527143      4.76820626      3.18321446
  H     -2.70273406      4.50892114      1.34109331
  H      0.89848155      0.76206881      0.77349410
  O     -0.87727136      4.13721365     -1.35880894
  H     -2.80279301      5.99972548      0.93723280
  H     -2.82369508      1.47819077     -2.48505464
  O      2.37831332     -0.48633221      4.86823716
  H     -3.30953492      2.07771537      5.41784716
  H     -2.37452141      1.32439746     -1.01334218
  O     -2.71064127      0.81479795      0.64541332
  H     -2.81444247      1.03940357      4.38634653
  H      1.52649883      2.32656489      4.24199660
  O      1.62532849      0.84379049      0.13461675
  H     -0.15035854      3.48538950      3.35405166
  H      2.80493640      3.14930188      4.03525446
  O     -2.08354804      1.60861538     -1.89666894
  H     -1.11981996      2.59780436      4.23176957
  H      4.67550006      4.25186608      0.07112528
  O      2.49183109      2.25329237      4.22500978
  H      0.76087668     -1.07062422      4.32453165
  H      3.20414975      3.82400809      0.27813865
  O      4.08920714      3.81537587      0.68360873
  H      0.38707745     -2.08281158      3.22176611
  H     -3.31526943      2.33098736      1.49971651
  O     -3.44813679      3.11838226      2.04457912
  H      3.27810131      1.58833975      2.73018455
  H     -3.34777028      2.81730376      2.95519259
          69
 Energy    -248.96099201727742     
  O     13.42559714      8.87805850     -9.96013260
  H     12.90760816      9.39716611     -9.35141236
  H     18.49149432      6.20028259    -15.14941789
  O     16.56509003      5.19058603    -12.74985685
  H     14.35064578      9.16808198     -9.86138789
  H     15.74044642     11.33831026    -15.11701475
  O     16.67201688     11.93993736    -13.65140340
  H     15.70854038      4.80107667    -12.53437488
  H     15.68729775      9.96811122    -15.81687652
  O     11.44644638      7.06903411    -16.29269876
  H     16.79986354      4.92116461    -13.64691901
  H     14.96160339      8.05921420    -12.83092780
  O     16.86298905      6.82732642     -8.93242092
  H     16.46327787     12.67488909    -13.07891124
  H     16.11281735      6.99160704    -12.82992673
  O     13.08701923      6.08035452    -14.18346748
  H     17.04396551     11.25638215    -13.07409560
  H     13.87130698      7.01820307     -9.93535259
  O     12.86087815     10.53251690    -14.26348123
  H     11.88115720      6.64193260    -15.54372214
  H     15.17876524      6.28827408     -9.59740227
  O     13.48150665      9.83464587    -17.74939509
  H     12.05803525      6.99125131    -17.03538653
  H     18.98022322      6.84460801    -11.50958916
  O     17.21079625      4.69174396    -15.42891336
  H     17.49192462      6.60647675     -9.64270799
  H     17.89173311      5.74935855    -11.60696651
  O     16.39537089      8.32198012    -15.63541587
  H     17.26110634      6.54074853     -8.11496446
  H     13.59384491      3.62117069    -11.68946339
  O     14.94558715      5.98208086    -16.27206386
  H     13.27914737      5.40454717    -13.52377514
  H     14.02561565      5.04729286    -11.27349352
  O     18.83109539      7.09123722    -15.01676329
  H     13.05067002      6.91627022    -13.69251873
  H     16.94813143      9.17434739    -12.32964138
  O     15.24145040     10.82655165    -15.76840132
  H     12.16875478     10.36534901    -14.91496697
  H     18.45405405      9.41688997    -12.17419952
  O     15.90813104      7.92364484    -12.97037013
  H     13.67337198     10.69035630    -14.76290225
  H     19.48193159      7.75093034    -13.52396432
  O     14.30138512      6.15613667     -9.97843192
  H     14.11399420     10.29177573    -17.17986943
  H     20.71980048      8.26606459    -12.75853457
  O     18.48235447      6.20310467    -10.98952963
  H     12.61683260      9.95179186    -17.33555895
  H     16.39951321      8.60675634     -9.35224431
  O     13.95636128      4.43473293    -12.02952840
  H     17.39897771      3.92018982    -15.95697494
  H     16.63921672      9.71627332    -10.39578421
  O     17.59681524      9.83338675    -12.03121176
  H     16.41606434      5.10463229    -15.80879354
  H     13.56233353      8.15012539    -18.14952479
  O     19.78205923      8.11516668    -12.67245574
  H     15.90179801      7.58459118    -16.01266564
  H     13.41933094      7.07529751    -19.25222359
  O     16.05909569      9.45331755     -9.67067541
  H     16.24744626      8.25833145    -14.67815282
  H     10.11608827      9.97381017    -16.47004173
  O     13.50488413      7.19024087    -18.30990559
  H     14.31537296      6.00749969    -15.53700571
  H     11.09304877      8.79707390    -16.23958875
  O     11.02914912      9.76703456    -16.29106343
  H     14.48373906      6.30465464    -17.05698015
  H     13.05444917      9.18352292    -13.20826046
  O     13.20560831      8.37463374    -12.69319303
  H     18.12738620      7.66671694    -15.34738925
  H     13.15636735      8.59723316    -11.75644182
          69
 Energy    -248.96098888062309     
  O     10.10081317      9.56594936    -11.96493782
  H     10.25369571      8.66477701    -11.62755561
  H     17.47879984      5.92753119    -14.88627938
  O     14.50746137      7.60257886    -15.52961063
  H      9.36270898      9.92220730    -11.47877363
  H     16.06378305     12.04265811    -14.90121138
  O     17.13621981      9.64647109    -10.17363645
  H     14.98944985      7.34933641    -16.32543818
  H     16.33999458     11.79786900    -13.40911870
  O     18.22057212     10.06823350    -15.42481969
  H     15.16765927      7.94505316    -14.90530737
  H     16.95062976      9.12739335    -14.44264228
  O     12.94253090      9.83740328    -15.20335182
  H     17.45849265     10.31090920     -9.57031980
  H     16.90087439      8.13381528    -13.24740954
  O     13.61749993      5.82763827    -13.65437178
  H     16.53390812     10.09618163    -10.79099564
  H     11.71201428      7.11567764    -11.11393713
  O     15.49898710     10.66380042    -12.09989470
  H     17.94611529     10.85127840    -14.92241768
  H     10.67028410      6.50251718    -12.06035023
  O     16.43509970      9.88558732    -17.51285491
  H     18.93129102      9.60291047    -14.96961099
  H     16.65904989      5.98093099    -10.35747260
  O     16.43166321      5.29985001    -13.54292437
  H     13.46386725     10.55210293    -15.58810512
  H     17.52982712      4.70618334    -10.22833805
  O     19.84563032      8.14686404    -14.15348906
  H     13.43183880      9.02166543    -15.38832835
  H     10.17006052      5.35300799    -14.35661692
  O     16.29478997      7.02902887    -17.59386729
  H     13.87052112      6.40358934    -14.39272041
  H     10.69161572      6.80285127    -14.22343774
  O     17.98797810      6.33762713    -15.60300370
  H     12.66625431      5.68880109    -13.73719186
  H     18.08778475      6.90519697    -11.55378107
  O     16.76049052     12.07357719    -14.23273728
  H     14.53347490     10.64148672    -12.07917017
  H     18.03040676      8.43496034    -11.28959645
  O     16.35648347      8.68723815    -13.81854124
  H     15.76228968      9.97589545    -12.73272299
  H     16.09952132      8.07309746     -9.70084390
  O     10.75940898      7.02585707    -11.25399772
  H     16.34887441      8.94195947    -17.68663227
  H     14.85984285      7.32139021    -10.23621636
  O     17.28970692      5.40583554    -10.82882969
  H     17.17956586      9.96604956    -16.89745149
  H     14.59371466     12.38045769    -16.92848115
  O     10.80246531      5.89382373    -13.89118778
  H     16.69116355      5.20611134    -12.61917414
  H     15.32485789     11.02437687    -16.80834914
  O     18.33109383      7.76610590    -11.91811214
  H     15.46724330      5.33082861    -13.54935674
  H     13.35556942      8.41124835    -11.79005832
  O     15.65557926      7.21786492     -9.69307109
  H     20.76514830      7.93060077    -14.02178288
  H     13.63110454      6.93223003    -12.19481782
  O     14.77547597     11.66640167    -16.32231387
  H     19.39920012      8.00650068    -13.30111559
  H     11.89621196     10.06332285    -12.19486018
  O     13.53709251      7.52983156    -11.43962597
  H     16.95465786      6.76988060    -16.92416397
  H     12.86972568     10.03840250    -13.40211720
  O     12.82970242     10.09115280    -12.43547205
  H     16.36436767      6.39917735    -18.30553767
  H     10.24706884      8.95607183    -13.79453556
  O     10.50969815      8.50917928    -14.60887015
  H     18.65986434      6.88900592    -15.19248389
  H     11.25970208      9.01016746    -14.95431329
          69
 Energy    -248.96082443649664     
  O     16.88115754      9.61665134    -11.80527890
  H     16.91240881     10.57957485    -11.74225843
  H     14.06349043      9.56266509     -6.99864252
  O     17.30713215     12.29690310    -11.18165552
  H     16.05464793      9.33569439    -12.22219604
  H     16.61845942      4.19746231    -12.68522184
  O     13.18083000      6.79317519     -7.82457181
  H     17.61197503     13.05539513    -11.67256461
  H     17.64585917      3.05015167    -12.55388504
  O     14.59641298      8.48076416    -12.86338156
  H     18.03399706     12.03294476    -10.58650625
  H     16.25742183      5.84637972     -9.65576672
  O     18.98371040      7.87191892    -11.54283283
  H     13.96184317      6.42076477     -8.25597198
  H     15.55650855      7.18632382     -9.38808765
  O     20.35827411      8.90831251     -9.27589330
  H     13.50890542      7.45641568     -7.20628200
  H     18.70707952      6.88707904    -13.08944030
  O     18.03144930      5.62089062    -10.11909391
  H     14.25087766      7.70932414    -12.39133481
  H     18.19192193      5.46352060    -13.36650954
  O     11.56472758      7.31642153     -9.95217789
  H     15.01081051      8.12476452    -13.66048659
  H     17.51676912     10.83406727     -6.58797870
  O     15.75057942     12.57976816     -8.76223674
  H     19.58899935      8.25898180    -10.90125840
  H     18.05630417     12.21960004     -6.17395612
  O     12.88722889      9.69568246    -10.82844144
  H     18.27458021      8.51739924    -11.68700375
  H     16.08951198      7.19612683    -15.83902046
  O     14.03802282     10.48807744     -8.47329314
  H     19.68667044      8.45488969     -8.73863817
  H     16.86958728      6.88691413    -14.54045460
  O     14.19464562      8.96071185     -6.24376958
  H     21.20846507      8.67133488     -8.91372744
  H     16.43573727      9.15887312    -10.13804711
  O     17.49993511      3.96777253    -12.33983718
  H     18.34607766      6.39509777    -10.60854262
  H     15.46691542      9.44720369     -8.95495914
  O     15.39669451      6.23237619     -9.45496928
  H     17.90840081      4.93104050    -10.78388026
  H     19.64250406     10.65102797     -9.39278968
  O     18.34679697      6.31939226    -13.78393169
  H     12.07254295      7.13978250     -9.13977146
  H     18.75562292     11.55702698     -8.51132415
  O     17.77688683     11.70686297     -6.92843509
  H     10.65202574      7.12567472     -9.75472229
  H     16.11173126      9.03892477     -6.05683423
  O     15.98947791      7.10691081    -14.89499253
  H     16.42901688     12.35967666     -8.11077558
  H     17.51137650      8.53521459     -6.49248665
  O     16.17169094      8.86305663     -9.25726512
  H     16.18862475     12.56496939     -9.62135243
  H     12.78244418      6.47547025    -11.12320244
  O     19.15391413     11.48184453     -9.38874643
  H     12.35253927      8.92639124    -10.59169956
  H     14.25893932      6.13918144    -10.81866938
  O     17.05566116      9.23730367     -6.01320240
  H     13.39279793      9.44464993    -11.60897710
  H     18.25196273      6.75380109     -8.48781206
  O     13.61171957      6.21108921    -11.53732367
  H     13.57205369     10.29748272     -9.30075716
  H     17.54508275      8.12251401     -8.41996367
  O     18.27360268      7.60499081     -8.03551430
  H     14.52783899     11.31756378     -8.57503297
  H     15.33279751      5.50294927    -14.01818930
  O     15.13607399      4.79456447    -13.39367714
  H     13.67359019      9.30795572     -5.52340315
  H     14.48790179      5.16421923    -12.77859734
          69
 Ord_Energy   -248.960815    
 O    1.75746942      0.316177249       11.9088860    
 H    2.52163720      0.876349866       12.0824509    
 H    2.12390518     -0.481031835       11.5003176    
 O    6.41584635       1.89121771       7.74450636    
 H    7.25477028       1.89506352       7.28977776    
 H    5.82057285       1.31780756       7.23148441    
 O    4.59724092       4.11677742       7.88766098    
 H    4.12444639       4.18109179       7.04832172    
 H    5.28282642       3.44726396       7.77767134    
 O    5.03237009      -3.67343044       7.89056444    
 H    5.35549068      -3.13059998       8.62682343    
 H    5.61697292      -4.42554998       7.82798576    
 O    2.88360906       1.58263814       4.65299702    
 H    3.48505640       1.19970703       5.30851507    
 H    1.97892570       1.39893234       4.94825172    
 O    4.22780371       1.86346054       11.9898129    
 H    3.82928538       2.42206216       11.2962894    
 H    4.47839069       2.44848275       12.7003002    
 O   0.262902170       1.01554656       5.46686506    
 H    5.54164499E-02  0.255176246       4.91185284    
 H   0.209323227      0.700184405       6.38178825    
 O    5.84207964      -2.16994405       10.1104660    
 H    5.97112942      -1.20359838       10.1137161    
 H    6.34240580      -2.51054215       10.8481083    
 O    3.76296711      -2.20382380       5.84224892    
 H    2.83977365      -2.23448539       6.13493347    
 H    4.26387119      -2.75966048       6.45098162    
 O    2.24823499      -3.68149400       8.76411533    
 H    1.73302555      -3.36238289       8.01108932    
 H    3.13487768      -3.85506034       8.42720127    
 O    1.05869138      -2.29853487       6.61044645    
 H   0.755652428      -1.56711626       7.16860008    
 H   0.643121839      -2.16949487       5.74973488    
 O   0.492979258       3.58121204       6.72224331    
 H   0.268800735       2.80407786       6.19707918    
 H    1.32639515       3.90707493       6.36434555    
 O  -0.519222796      0.930336952       10.5113688    
 H   -1.26937044      0.860083163       11.0958500    
 H   0.269500285      0.737773299       11.0485811    
 O    3.09966493       3.14321280       9.93780041    
 H    3.60794377       3.59830046       9.25135517    
 H    2.16131401       3.36554170       9.83996773    
 O   0.458280444       3.47208476       9.50721169    
 H    3.86360008E-03   2.67303467       9.79426003    
 H   0.372443050       3.52437234       8.54335022    
 O    6.04044533      0.498939931       10.2393236    
 H    5.46624947      0.977095664       10.8504763    
 H    6.17621851       1.06151807       9.46825314    
 O   0.358363956      -2.05084309E-02   8.02935123    
 H    1.26889706      0.266959965       8.19983864    
 H  -0.133980513      0.216915697       8.82318115    
 O   0.147728488      -1.46441662       4.04873800    
 H  -0.359827131      -1.82330704       3.32614541    
 H    1.05905807      -1.34889185       3.72494960    
 O    3.04878664      -1.60554099       10.3778200    
 H    3.98725343      -1.81211877       10.4387245    
 H    2.63972116      -2.33351088       9.88714123    
 O    4.50801373      0.359964252       6.54987335    
 H    4.37185097     -0.551105440       6.26095200    
 H    3.93755722      0.489628971       7.32612801    
 O    2.76715636      -1.02669442       3.44865751    
 H    2.90438938      -9.23520178E-02   3.65023398    
 H    3.25075054      -1.51775801       4.12615633    
 O    3.06300759       4.19973469       5.48517513    
 H    3.08786869       4.82907104       4.76810217    
 H    3.04278350       3.31673503       5.08140850    
 O    2.91623068      0.647081971       8.69945621    
 H    2.95490932       1.49951065       9.15251923    
 H    3.01249480      -6.23371601E-02   9.34896946    
          69
 Energy    -248.96075697861298     
  O     -0.80864261      1.73594103     -1.78329108
  H     -0.16443923      1.07739318     -1.48264324
  H     -0.92636787      0.00453716      3.68649113
  O      0.71203914      4.11866891     -1.22817072
  H     -0.35848185      2.58363442     -1.70942765
  H      0.94933306      0.62952440      3.09823094
  O      3.79186007      2.51239758      1.90561812
  H      1.63974008      3.88577454     -1.06879049
  H      1.20387740      0.51081297      4.62829720
  O      1.15118925      1.66615350      1.67624999
  H      0.71866740      4.91808456     -1.75048460
  H      3.80726897     -0.70421893      1.70178329
  O     -3.05376355      0.87710495     -0.54941053
  H      3.76729102      2.93806863      1.04013506
  H      5.34980110     -0.63147121      1.66815583
  O     -2.54730591      2.27005508      1.82945932
  H      4.16318982      1.62749356      1.78232502
  H      3.20397039      3.32393818      3.53639798
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  H      2.45422181      2.98312037      4.84822887
  O     -2.00469572     -1.29656619      1.03642484
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  H     -3.34135371      3.11233742      3.33991786
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  H     -3.77784155      0.82935313     -1.16757820
  H     -2.96550050      3.97237772      4.57628124
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  H     -2.28061898      1.20253781     -1.04472108
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  O     -1.60965464      4.96218059      5.42150780
  H     -2.84713876      1.86163252      1.00807050
  H      0.16156217      4.84336830      2.86963092
  O     -1.86341149      0.08579058      3.45899195
  H     -2.24983075      1.54501969      2.39847332
  H      2.13700886      1.43731313      6.81488471
  O      0.87301923      0.03094845      3.85871072
  H      1.04826473      0.58257513      0.22346936
  H      0.81368835      1.95171191      6.20180810
  O      4.56156962     -0.15774614      1.41644223
  H      0.82905697     -0.84491633     -0.34983145
  H     -3.95999947      0.83823203      6.22129695
  O      2.72355782      3.71250955      4.27691050
  H     -2.39463351     -0.63722010      0.45131320
  H     -3.44391210      1.90081958      5.21913454
  O     -3.60693917      3.33067916      4.24242781
  H     -2.03164046     -0.91572155      1.92516129
  H     -1.04320589      3.35436305      6.19741262
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  H      3.52118461      2.48056358     -1.01467646
  H     -1.57891357      1.91831645      6.33860232
  O      1.70778364      1.62907129      5.98537161
  H      4.14433023      3.87814451     -1.24783476
  H      2.74453733      0.44900237     -1.09832055
  O     -3.19679773      1.09659966      5.71241543
  H      0.20407886     -3.31329902      0.05942690
  H      4.08803588      0.37466475     -0.35788060
  O     -0.80353966      2.46823066      6.49831102
  H     -0.51492780     -2.08971927      0.67418210
  H     -1.22629974      3.43800965      1.44643370
  O      3.65873149      0.76771658     -1.12765416
  H     -0.85774108      5.08574495      4.81292296
  H     -0.17059949      4.05817119      0.45236977
  O     -0.40286660      3.94398384      1.38073994
  H     -1.73041174      5.78978898      5.87830792
  H      1.77579633     -2.00638068      1.63515642
  O      2.43002931     -1.62522914      2.23236004
  H     -2.34126511      0.29689776      4.26991193
  H      1.92179427     -1.17103105      2.91842841
          69
 Energy    -248.96045845852674     
  O     -0.96730346     -5.55771609     -5.41833811
  H     -0.76745345     -5.77044635     -4.49767666
  H      2.70125370     -3.99178962     -2.24935298
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  H     -0.11587966     -5.42768452     -5.85424918
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  H     -0.59973370      2.28874338     -0.82835341
  O     -2.99220090     -0.09649459     -1.68255265
  H     -1.94512419     -4.15657148     -5.81689642
  H      0.01228047     -1.54149775     -0.87486451
  O     -0.19091996     -5.68538876     -2.68631687
  H      2.05244491     -4.86197568     -7.31772955
  H      0.16283910     -2.40898281      0.38234026
  O     -2.37380298     -1.50268606      1.57851959
  H      1.10684523     -3.79041123     -6.72132298
  H     -3.64205310     -4.23951333      0.89498787
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  H     -2.24676061      0.41545406     -1.34892947
  H     -4.41981336     -3.19050518      0.06787038
  O      1.75631557     -4.06269311     -3.81761067
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  H     -5.52958725     -0.82154356      0.04956493
  O     -2.43829950     -4.09793887      2.45207578
  H     -0.91789510     -5.12750743     -2.36813795
  H     -4.13636525     -0.83909586     -0.62309783
  O      0.63403037     -1.52216629     -3.99044564
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  H     -1.03458437     -0.27019237      2.12844895
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  H     -3.23425985     -1.32390413      1.17864350
  H     -0.31171403      0.71307577      1.21639984
  O      2.98088955     -4.00212920     -1.32367257
  H     -1.76034169     -1.65457242      0.84325788
  H     -0.63607273     -4.55805440      2.01562125
  O     -0.72329776      1.36855972     -0.60682854
  H      3.20952171     -2.45921338     -0.63239629
  H      0.73754506     -3.83747366      1.98607187
  O     -0.43600125     -2.21379197     -0.34966845
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  H      1.63472010     -6.89991131      0.05159154
  O     -4.11609517     -4.10758471      0.06506438
  H      1.84875204     -4.32024687     -4.74244176
  H      0.90087217     -5.60024873      0.44716340
  O     -4.69110479     -1.27450132      0.05037567
  H      1.06175595     -4.62312496     -3.43928337
  H      1.11306656     -0.61850163     -2.52805412
  O     -0.19910804      0.20634310      2.02904369
  H     -2.41421323     -3.14452963      2.26229300
  H      1.96894302     -0.63209044     -1.20882634
  O      0.29229122     -4.67100234      1.78090436
  H     -2.75536184     -4.19110748      3.34760536
  H     -1.44194533     -3.38431565     -1.19459548
  O      1.29744752     -6.08035930     -0.30144960
  H      1.04503389     -2.39448468     -3.89899269
  H     -2.82470840     -4.10294780     -1.17811107
  O      1.18537135     -0.25901536     -1.63162823
  H     -0.31804835     -1.63710353     -3.85216558
  H     -0.71845314     -2.52272947     -6.63424727
  O     -2.04263679     -3.93534632     -1.72052953
  H      2.11749355     -1.89077413      1.22776647
  H      0.43407128     -1.81779264     -5.89907935
  O      0.21078961     -2.27356328     -6.72086670
  H      0.91947516     -1.25586836      1.98704273
  H     -2.15020949     -2.68119487     -2.98575559
  O     -2.09374160     -1.95385096     -3.62448517
  H      2.48985646     -4.72285164     -0.91232483
  H     -2.31663401     -2.32928522     -4.48519595
          69
 Energy    -248.96043364269030     
  O     12.81287569     12.00073719    -16.54799847
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  H     14.66974397      6.00336888    -15.46199654
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  O     16.21941874     11.54664692    -11.23331548
  H     15.62671828      8.45055495    -13.54048305
  H     18.44357936      9.32016516    -12.67178391
  O     16.67023966     12.74779821    -15.47433840
  H     16.38751129      8.11603064    -12.22431123
  H     16.69496295     11.31115790    -16.48558545
  O     12.98285555      8.50868306    -16.21247537
  H     16.89716105     11.97064671    -11.77348635
  H     15.83384774     10.39535220    -17.42791069
  O     12.20197653      9.67821064     -9.50554443
  H     15.41715925     11.52604512    -11.77629352
  H     14.26533170      9.26973911    -15.14417299
  O     13.18861657      7.08397305    -12.80708166
  H     17.19691016     12.69663660    -14.66703136
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  O     14.02462314     11.41744784    -12.90352078
  H     15.82655264     13.14152202    -15.22133401
  H     11.32774424     10.15827454    -14.03869032
  O     16.37637533      6.31214558    -15.20324170
  H     13.20673441      7.57221777    -16.13664734
  H     11.69240001      9.59281640    -15.41907175
  O     13.49313261      7.16365142     -9.96890793
  H     13.36140928      8.86976096    -17.02345253
  H     16.13565531      7.32489307     -8.22390455
  O     18.21944398      8.39060812    -15.97178376
  H     11.62739559      9.96685418     -8.80166765
  H     15.09484391      7.54506657     -9.34530180
  O     13.70044509      5.91942348    -15.50658152
  H     13.08079845     10.05743793     -9.32547213
  H     18.99759387     12.86343770    -12.92179043
  O     18.76671052      9.76713347    -13.46445694
  H     13.10432182      6.60577432    -13.63636550
  H     18.44983253     11.45881785    -13.26865717
  O     16.62289228     10.42285933    -16.87213993
  H     14.13309126      7.30318260    -12.74235477
  H     17.01763943      9.89649674    -11.08165029
  O     15.03378636      9.64922346    -14.69645556
  H     13.25417604     10.91350187    -12.61365495
  H     17.05441239      8.56956882    -10.28277863
  O     11.24065775     10.32967816    -14.98341190
  H     14.44907514     10.86114833    -13.57609542
  H     15.21975171      9.67532697     -8.88961023
  O     15.92679624      7.88276332     -8.96845916
  H     16.27636267      6.64140980    -14.29746309
  H     15.27445859     10.99700615     -9.68216207
  O     18.19175808     12.38219814    -13.09212526
  H     17.01414108      6.91258038    -15.60474350
  H     11.92957923      9.66237441    -11.34462225
  O     17.41692644      9.01393050    -11.05993822
  H     13.30716057      6.95679348    -10.89269430
  H     12.34507853      8.73846222    -12.51767397
  O     14.74973723     10.50551978     -9.03782823
  H     12.94216702      7.92736369     -9.75478581
  H     14.01075491     12.89819501    -13.89937408
  O     11.99444844      9.61508628    -12.30668749
  H     18.99991343      8.28777119    -16.51190113
  H     13.76741921     14.40176858    -14.16624187
  O     14.11366066     13.60471088    -14.55931964
  H     17.70059735      9.10923046    -16.37152241
  H     13.86168346     10.42981855    -19.05722279
  O     14.11198070     10.27136689    -18.15114035
  H     13.51735386      5.02863877    -15.79298809
  H     13.64469945     10.93805172    -17.61165575
          69
 Energy    -248.96013346375241     
  O     14.48644288     12.98323660    -10.56001816
  H     14.71732157     12.19982886    -10.04805683
  H     12.17756412     11.22179857    -13.80244144
  O     13.77295066     12.05334551    -17.87927625
  H     15.21576749     13.61805978    -10.52539061
  H     13.29020272     14.16628608    -15.68515064
  O     16.81135357      9.46699071    -11.37366611
  H     13.30073337     12.64728998    -17.26706928
  H     12.00384224     13.37843131    -15.35894407
  O     14.15109539     16.13217129    -12.40714291
  H     13.37800503     12.17169446    -18.73851968
  H     10.17972434     12.81644035    -13.71339029
  O     14.14684431      9.94064416    -16.09111233
  H     15.90178949      9.34739024    -11.69081421
  H     11.51011990     13.27632692    -13.07463490
  O     17.12858613      7.04730132    -12.80664889
  H     16.69545101      9.80448422    -10.48225484
  H     17.81256003     14.40009239    -14.04153074
  O     17.44776881      7.39864466    -15.48510131
  H     14.91295702     15.85954061    -11.88427916
  H     17.96908516     13.14588670    -13.16947727
  O     14.87508344     12.42941476    -13.25260598
  H     14.33839480     15.82054143    -13.30402592
  H     14.49956507     10.09695627     -8.58256714
  O     14.06162451      9.11520953    -11.70497214
  H     13.93042014     10.57635698    -16.78435880
  H     14.47021666      9.95424413    -10.11761653
  O     16.91061249     10.14554718    -15.76565725
  H     15.09910886     10.02735564    -15.93463524
  H     15.62769945     12.42701804    -17.51115108
  O     17.33682300     14.73172504    -15.86540432
  H     16.21295400      6.75596502    -12.71045784
  H     16.78062804     11.67683822    -16.81584939
  O     12.87161495     10.55442228    -13.72364509
  H     17.21909361      7.82225848    -12.23814291
  H     15.52989935      7.20699549    -15.59825119
  O     12.57381802     13.65244937    -16.08578669
  H     17.42539033      7.25884808    -14.52170194
  H     14.28362389      8.10079090    -15.74725906
  O     11.12665679     12.73850449    -13.79198560
  H     18.11917247      6.81814360    -15.83320623
  H     16.99491295     14.66527765    -11.75998512
  O     17.94872385     14.11131711    -13.13115294
  H     14.19093447     11.79415716    -13.49471095
  H     17.00684803     15.48936629    -10.45593205
  O     14.88007748     10.44517650     -9.38544797
  H     14.71689451     12.66527559    -12.32793963
  H     17.37390386     10.71681886    -12.63013952
  O     16.54102888     12.52266937    -17.21707301
  H     14.05176539      8.19600351    -12.00091730
  H     16.51262886     11.78241033    -13.34738303
  O     14.57954742      7.23714522    -15.43135649
  H     13.58099007      9.62940298    -12.36952280
  H     12.84587026     13.69227555    -11.21762531
  O     16.45366769     14.93048185    -10.99577212
  H     17.20018527      9.22595713    -15.74250045
  H     12.75188748     14.97436914    -12.03515939
  O     17.39194208     11.36805420    -13.34150675
  H     17.17680581     10.55398889    -14.92901839
  H     13.81320757      5.74437125    -12.74602178
  O     12.25398022     14.17644471    -11.80613590
  H     17.80692578     15.30804352    -16.46185944
  H     14.31857713      6.78386774    -13.77532081
  O     14.29661092      6.56207295    -12.82625718
  H     17.09933921     13.93612268    -16.37529839
  H     14.81770102     13.95138722    -14.24626172
  O     14.74842018     14.76100251    -14.77560303
  H     13.19400102     10.32284434    -14.60698937
  H     15.60688868     14.88442540    -15.19642879
          69
 Energy    -248.95993361756661     
  O     15.21728004     12.11393285    -12.30991390
  H     16.00744223     11.72547555    -11.91713834
  H     13.28682943      6.72858985    -14.37172263
  O     17.50055270      9.55958222     -7.38905836
  H     14.63437273     12.31642801    -11.56898922
  H     11.48003536     10.77934507    -11.43342575
  O     16.91384506      6.23522397    -11.31022730
  H     18.22481521      9.74639920     -7.99907232
  H     11.15517003     10.16962596    -10.05571633
  O     13.46933498      5.04983712    -10.74068493
  H     16.73171258     10.03217587     -7.73491150
  H     16.33313826      8.96294136    -15.87164570
  O     19.01344607      7.05917091     -9.61173925
  H     16.47542380      5.61570401    -11.90645318
  H     16.10410805      8.81050078    -14.35064845
  O     17.42600892      6.85466783     -7.22377139
  H     16.36201733      6.27849785    -10.51536049
  H     19.36981716      8.77224442     -9.58825726
  O     17.18644201     10.61816113    -10.86655710
  H     14.07798535      5.34138063    -10.04955273
  H     20.39357215      9.92903140     -9.48530061
  O     13.57986410     12.52996292     -9.94793424
  H     14.02014766      4.82696421    -11.50061455
  H     16.01017698      6.35643288     -8.31215209
  O     15.31856939     10.67291955     -8.77695755
  H     18.57662228      6.86196328     -8.77359018
  H     14.76426882      7.03746642     -8.93800762
  O     14.00582588      8.42037377    -11.80903541
  H     18.43523887      6.70221780    -10.29811966
  H     12.57475466     10.55740844    -13.69298053
  O     11.02955455      6.17860602    -10.94997282
  H     17.41428639      7.82903156     -7.20963276
  H     12.78012324      9.66152778    -12.47175471
  O     14.19882430      6.48438612    -14.58389413
  H     17.67319697      6.56936394     -6.34843058
  H     11.43951426      6.97221986    -12.65465997
  O     11.40346324     10.99128649    -10.49123573
  H     16.53969440     10.61964471    -10.14633904
  H     11.71959728      8.29748004    -13.42144536
  O     15.65315419      8.84821412    -15.21181819
  H     18.04228197     10.42557904    -10.46445123
  H     10.18270586      8.25892330     -8.63693927
  O     19.46001160      9.73685108     -9.48612034
  H     13.28521843     13.41513027     -9.74960269
  H     10.88693448      7.63777828     -9.86318123
  O     15.33607712      6.25757454     -8.99557942
  H     12.77967064     12.00038500    -10.11102771
  H     15.41222487      3.83561737    -13.41510259
  O     12.08780030     10.07905720    -13.00581014
  H     14.75046532      9.88982796     -8.80794733
  H     14.89834879      5.28701133    -13.57425163
  O     11.84599887      7.33781217    -13.44809350
  H     14.76814032     11.41058314     -9.06945360
  H     14.51831439     10.42996133    -14.92263043
  O     10.88760919      8.40150151     -9.26452485
  H     13.55155770      7.79808648    -12.38721048
  H     14.45654144     11.57031965    -13.88185719
  O     15.25854659      4.64502683    -12.93543365
  H     14.89973948      8.53644736    -12.15383290
  H     13.81594718      8.46507545    -10.09039781
  O     13.98111607     11.17331300    -14.62863822
  H     10.39450092      5.46977558    -11.01984630
  H     12.74912463      8.47024366     -8.97124597
  O     13.69959756      8.46203842     -9.12465215
  H     11.90384181      5.75872309    -10.84843192
  H     16.90034640      9.34812664    -12.08361721
  O     16.65151245      8.62767583    -12.67976056
  H     14.63794689      7.28011807    -14.90708792
  H     16.84505529      7.79141913    -12.23406482
          69
 Energy    -248.95992182865643     
  O     15.40508819      9.76403948    -16.14854577
  H     14.49979082      9.46373907    -15.99591398
  H     18.30364104      5.80445462    -11.64550724
  O     17.51876829      3.86322244    -14.23191696
  H     15.50348721     10.64894619    -15.77535412
  H     18.88864708     10.75268201    -15.45414849
  O     18.58631082      9.05309352    -12.66718576
  H     16.55935799      4.03757514    -14.21850594
  H     18.66595103     10.55611511    -13.93970951
  O     16.36749455      6.36153019    -18.17122339
  H     17.62712847      2.91764361    -14.28432797
  H     17.30721081      7.31603549    -15.08304030
  O     15.97055530      9.03234265     -9.07468157
  H     17.98349287      8.69983032    -13.34225022
  H     16.42247756      8.60891860    -15.13083896
  O     15.28997466      6.80890754    -12.64429432
  H     19.41075691      8.55416734    -12.73004185
  H     13.00194160      8.66337428    -14.54319996
  O     14.91412197     11.14605777    -12.52487260
  H     16.31612873      6.02917293    -19.06334709
  H     12.03159378      8.74461927    -15.74357873
  O     20.73064553      7.27548255    -12.93753290
  H     16.67065232      7.28575268    -18.23058058
  H     17.74694888      7.86991472    -11.30694842
  O     14.93016035      4.53671921    -14.21400952
  H     16.41285037      9.68929235     -9.64429834
  H     16.84797441      7.69764333    -10.06493330
  O     20.34693044      7.53749533    -15.74612341
  H     16.14266994      9.29001648     -8.17244199
  H     14.82622551      6.24628604    -17.02061928
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  H     15.87127105      6.84299172    -11.87568858
  H     16.37082033     10.92507602    -11.45289404
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  H     17.74934372     10.24035430    -11.46127529
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  H     13.87855531     10.64573879    -10.81827886
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  H     21.54309329      7.13813279    -12.45814513
  H     14.20850221      9.52942150     -9.82188958
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  H     20.13985979      6.53373497    -12.71064698
  H     20.33435417     10.18288870    -17.43480151
  O     14.13189648      6.07992335    -16.37212098
  H     14.59175182      4.96658475    -15.01303775
  H     19.92127815      9.01932144    -16.50300988
  O     17.11635205     10.68366096    -10.88400734
  H     14.92037385      5.22325431    -13.53375638
  H     13.98302554      7.99739122    -12.72368295
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  H     19.63602626      6.89983038    -15.90400292
  H     13.16812786      9.04890924    -11.93265937
  O     19.61003395      9.84685666    -16.91305516
  H     20.58755885      7.44381323    -14.81749111
  H     16.93712855     11.88641875    -14.80108302
  O     13.36567463      8.73766698    -12.82602000
  H     17.91513625      5.15898026    -15.47748881
  H     16.04867480     13.09811970    -15.18334305
  O     16.01515428     12.18905573    -14.89868270
  H     17.51284622      5.93039946    -16.78434725
  H     18.02419083      9.24825750    -17.77700076
  O     17.17476968      8.93302629    -18.10680948
  H     18.41006517      4.85114414    -12.87085609
  H     16.50477784      9.31498300    -17.52164361
          69
 Energy    -248.95973898341816     
  O     -6.19803563      3.54754125     -1.43696025
  H     -6.93815888      4.11930347     -1.61897745
  H      0.19189025      2.58016502      1.38202972
  O     -1.67828617      2.98380118     -3.77072854
  H     -6.10488449      3.50904514     -0.46621063
  H      0.28581343      2.89150045     -0.89065329
  O     -5.80843522      3.44637018      1.21005143
  H     -2.31361053      3.23410518     -3.08034281
  H      1.35410037      3.72203663     -0.13398311
  O     -2.22058711     -1.85245382      2.10462535
  H     -1.65205919      3.71456316     -4.38373155
  H      2.90703907      0.05277225     -0.12163202
  O     -1.35257659     -0.32873837     -1.00952303
  H     -5.08356531      3.91966630      1.63077003
  H      3.59926070     -1.15366614      0.55790690
  O     -3.15485989     -2.41636858     -0.36495148
  H     -5.86533427      2.57569343      1.63159852
  H      2.04287372      2.05147559      2.41162835
  O      0.17167443      1.63340379     -2.22687443
  H     -1.34031302     -1.46557529      2.01220076
  H      3.06948327      1.07853743      1.80910315
  O      0.18687995     -0.57340186      1.30471386
  H     -2.71269103     -1.28992108      2.71512738
  H     -4.95371095      1.17311235     -3.14074767
  O      2.82504553      1.20178089     -1.42854144
  H     -1.90263295      0.36466099     -0.60961425
  H     -5.93066013      1.85600935     -2.17700003
  O     -3.61709066     -0.04276599      3.80425561
  H     -1.89194989     -1.12767064     -1.00023208
  H     -2.84036675      3.15189696      2.80061006
  O     -5.84806102      0.85950383      2.20422701
  H     -3.22914852     -3.35694645     -0.49917578
  H     -1.54711767      2.26348152      2.74277895
  O      0.13337021      2.05748016      2.19515186
  H     -2.85195015     -2.28430252      0.55326745
  H     -4.53814239     -1.14033136     -0.31844204
  O      0.41029059      3.52139143     -0.16699286
  H     -0.31826048      0.86244170     -1.90921423
  H     -5.35334063     -0.01438748     -1.04381562
  O      2.92145921     -0.49532142      0.68408001
  H     -0.39435696      2.08018608     -2.87136557
  H     -3.79971816      0.91678646      0.13456575
  O      2.97733947      1.96477426      2.18095322
  H     -0.26271088     -0.52631840      0.44849883
  H     -2.88605373      1.75968335      1.07576514
  O     -5.65310918      0.99139301     -2.51450541
  H      1.13013588     -0.67585625      1.12510504
  H     -2.46114969      4.67832839     -0.56842987
  O     -2.50874567      2.24692901      2.85689100
  H      3.06578862      2.06690817     -1.07557448
  H     -1.06610252      4.62335526      0.07501712
  O     -5.08771442     -0.36003693     -0.17920595
  H      1.95634310      1.31411541     -1.83870909
  H     -4.36059586      3.67211142     -1.69808413
  O     -3.02591224      1.49764758      0.15895886
  H     -3.21051636      0.80139706      3.54036046
  H     -3.24871660      2.81568973     -1.04849401
  O     -1.93212282      5.04466387      0.15225020
  H     -3.62260567     -0.05864719      4.75827102
  H     -3.55560751      5.60907244      2.81290769
  O     -3.40773631      3.52356311     -1.69264444
  H     -5.74713733      0.33437663      1.39765839
  H     -2.92102807      4.94517105      1.56617362
  O     -3.49896456      4.78639133      2.33472668
  H     -5.20964881      0.49549937      2.82678630
  H      3.90964662      4.28861779      0.13902952
  O      3.21707872      3.64056851      0.04635570
  H      0.12838596      1.12425626      1.93409512
  H      3.22173740      3.10268293      0.85854358
          69
 Energy    -248.95969589560383     
  O     16.66240221     11.36991534    -10.13955784
  H     17.02542271     10.47072363    -10.04104521
  H     14.19841496      6.07242789    -14.92540541
  O     11.92316304      6.79817871    -11.58714652
  H     17.16396145     11.93435625     -9.55758713
  H     16.29370868      5.42736040    -13.93917103
  O     17.25346879      9.84568065    -14.76261627
  H     12.47096744      7.14656227    -10.86855856
  H     17.80516389      5.45077840    -14.24092614
  O     17.63884408      8.07145871    -12.63517118
  H     12.37771756      6.01190888    -11.91024447
  H     14.54697185      8.09230283    -11.55715551
  O     13.79316377      7.92272458     -9.87972461
  H     16.46132161      9.66519633    -15.28831953
  H     15.83729802      8.26275499    -12.42338089
  O     14.92955319      9.41124924    -16.26415023
  H     17.01169849     10.55036247    -14.14462468
  H     14.82966180     10.97434208     -9.94563861
  O     13.75475302     11.76669027    -15.40142439
  H     17.61603786      8.65579629    -13.40409510
  H     13.58675009     10.85747990    -10.84553984
  O     16.11866988      5.18131418    -17.29632722
  H     17.56044154      7.16019959    -12.95075871
  H     13.85317730      4.67824024    -13.37835712
  O     11.26224526      8.81189062    -13.26773792
  H     13.80837257      8.88304943     -9.74919610
  H     13.09331028      3.63833980    -12.52979810
  O     15.89160134      5.03488386    -11.05270796
  H     14.53418392      7.53551133     -9.39878324
  H     14.03844869      9.89522640    -12.69877079
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  H     12.55362639     10.17323131    -12.95635997
  O     14.68057730      5.23261806    -14.88576130
  H     14.51803086     10.27638947    -16.13552815
  H     16.07186238      6.03883784     -9.65872046
  O     17.16098388      5.49725006    -13.51950802
  H     14.19562513     12.60455924    -15.26921630
  H     16.31581236      6.15275780     -8.13452722
  O     14.87590866      8.32803924    -12.43381870
  H     13.54237560     11.43699520    -14.51614278
  H     17.85335965      5.38930724    -16.40810353
  O     13.91100352     10.67407546     -9.95719457
  H     16.19756773      6.11273737    -17.57184922
  H     18.79229510      6.55777852    -16.05012158
  O     13.45453103      4.52207664    -12.50687609
  H     16.05012581      4.66402566    -18.09450283
  H     17.14881100      8.12130763     -9.53799868
  O     13.40386275     10.61761165    -12.83704481
  H     11.43364684      8.08995119    -12.63453754
  H     17.75908665      8.55955849    -10.88820693
  O     16.11086283      6.66463228     -8.91219038
  H     10.31631238      8.87176243    -13.36770588
  H     17.37660162      8.03298463    -17.58009765
  O     18.59776219      5.63493518    -15.84491714
  H     15.02279785      4.83516297    -11.41956903
  H     15.88559489      8.40207514    -17.47028756
  O     17.59331767      8.85324483     -9.98071548
  H     16.48238919      5.11131536    -11.81332727
  H     15.24950044     11.50752270    -12.92725117
  O     16.49897306      7.78817084    -17.89770192
  H     12.58807676      7.99676921    -14.42587521
  H     16.45178783     11.59642702    -11.98357449
  O     16.20379457     11.62685557    -12.91769022
  H     14.01252239      7.82633779    -13.87569005
  H     18.41818054      9.00519653    -15.85004163
  O     18.90042777      8.44210899    -16.47740821
  H     15.11538458      5.11584619    -15.74009489
  H     19.70353016      8.90755151    -16.69850120
          69
 Energy    -248.95923848596036     
  O     14.00040906      6.28725514     -8.26906471
  H     13.16475128      6.07077051     -8.71979258
  H     15.17214680      8.03337784    -12.97333371
  O     13.90083129      5.40178789    -16.31389156
  H     13.88852786      6.04382226     -7.35385116
  H     13.77746350      6.28360750    -12.53780984
  O     16.98571895      6.25982851    -14.38816894
  H     14.62296400      5.95163521    -16.64248387
  H     13.07098741      7.09399321    -13.66175748
  O     15.58680886     10.83460854    -14.20058451
  H     14.31915524      4.76487691    -15.72308780
  H     11.61511582      4.98235620    -10.19615195
  O     10.32031222      5.82221432    -13.02279637
  H     16.73191250      7.04271665    -13.87818598
  H     11.16628522      6.43464139     -9.96004261
  O     11.48435953      3.78912838    -11.70503965
  H     16.84466662      6.50111711    -15.31321051
  H     17.91900965      5.64354753    -12.78994163
  O     16.84941594      8.22983720    -10.36059170
  H     16.26169062     11.47415406    -13.98963760
  H     17.48493773      5.35829173    -11.33036983
  O     12.78366268     10.71847463    -13.64079542
  H     15.82470800     10.01080275    -13.73966216
  H     14.52065718      4.20564297    -12.90323496
  O     14.80953278      9.34085219    -16.48412233
  H     10.79013743      6.17121629    -13.79276188
  H     13.24530502      4.16685130    -11.98506667
  O     12.01112973      9.51161837    -15.93052777
  H     10.22518376      6.55131004    -12.39769692
  H     15.68908420      7.89442485    -16.80480250
  O     11.94710039      6.85550511    -15.04937238
  H     11.02544715      4.47095781    -12.23044463
  H     16.57841687      7.12441661    -17.80837393
  O     16.04457218      8.45682662    -12.97752310
  H     10.94330028      3.00541104    -11.73491862
  H     16.10058933      3.21197103    -14.57641587
  O     13.64027437      7.17336178    -12.88512902
  H     17.81427874      8.16493798    -10.38367548
  H     16.05017096      4.74459143    -14.38302955
  O     11.69407978      5.72084700     -9.58175165
  H     16.51814950      7.32078510    -10.30470318
  H     20.31967504      7.35040176    -10.29623569
  O     18.25373373      5.42840944    -11.91146636
  H     13.72754580     10.88665412    -13.75277119
  H     19.18882724      6.79415699    -11.17682841
  O     14.12502236      4.55079388    -12.09228501
  H     12.67875391     10.30505273    -12.77398018
  H     11.05572801      8.37492487    -11.05008352
  O     16.15501939      7.05205502    -16.95719688
  H     15.13512445      9.93120061    -15.79323666
  H      9.56530970      8.35746534    -10.64049773
  O     15.50380763      3.94052804    -14.42268339
  H     13.84752693      9.37028355    -16.42167784
  H     15.34151926      5.76827068     -9.47041997
  O     19.50665896      7.59662780    -10.72935765
  H     12.21421066      9.97126344    -15.09510100
  H     15.29263453      5.17302297    -10.88482134
  O     10.27735905      7.80132460    -10.94576244
  H     11.37108630     10.04679012    -16.39180413
  H     14.21214231      8.13056737     -8.79523508
  O     15.88645869      5.59901539    -10.25011555
  H     12.55818792      6.32330836    -15.58143724
  H     15.28853754      8.91683319     -9.55322385
  O     14.38314523      8.97972023     -9.22066023
  H     11.89528352      7.73727298    -15.43838779
  H     12.96423123      8.43729742    -11.84399078
  O     12.61050425      9.15889642    -11.30097872
  H     16.37209164      8.45992037    -12.06764737
  H     13.19011035      9.22525139    -10.52830745
          69
 Energy    -248.95920787312542     
  O     -2.61537296      5.15630505      3.21629607
  H     -2.51191599      4.78486713      2.33214047
  H     -3.61936237     -4.34280949      2.00506745
  O      1.01161938      1.38111008      0.99162884
  H     -1.94197712      4.73777075      3.76974903
  H     -1.44593168      2.88088076     -0.37718543
  O     -1.10417669     -0.51371635      3.39138249
  H      0.81986227      0.43436867      0.94984537
  H     -0.56181272      2.99923688     -1.63915407
  O     -4.31720208      0.65961205      0.50974551
  H      0.46982862      1.78000241      0.30292560
  H     -5.29170615      5.35899276      4.91896617
  O     -2.84585825     -2.82824163     -1.27868709
  H     -1.85471368     -1.08462464      3.60081318
  H     -4.15542141      4.88324794      3.97971534
  O     -0.15979831     -1.20659387      0.88313442
  H     -0.72536149     -0.82704051      2.55726440
  H     -2.54684256      2.87778451      1.50743565
  O     -4.72094827     -0.07977955      5.44564350
  H     -3.82966222      0.90893473      1.31292883
  H     -3.48293373      3.60287971      0.51250516
  O     -6.83879243      0.40706827      3.84716257
  H     -4.74945610      1.46446117      0.20180430
  H     -5.90556589      3.49301287      3.27433726
  O     -0.91452128      3.70840416      4.97426797
  H     -2.57142986     -1.89830125     -1.24289815
  H     -6.48888863      2.07442440      3.02097669
  O     -2.11218890     -0.17278828     -0.90720894
  H     -2.83955960     -3.07654190     -2.20045180
  H     -5.69964880      3.16579787      1.00614721
  O     -5.52281612     -1.30143064      2.00028007
  H     -0.81873626     -0.84800159      0.27470708
  H     -5.94291432      3.69979943     -0.42789584
  O     -2.96022116     -4.56069505      2.68956398
  H     -0.27408748     -2.16773000      0.86465977
  H     -3.20590724     -2.91959713      3.57521572
  O     -0.88108107      2.37910269     -0.98791506
  H     -4.17477443      0.71532523      5.50701568
  H     -4.11649415     -1.74632115      3.16058271
  O     -4.96087339      4.59831333      4.44917704
  H     -4.17456719     -0.77470456      5.05760853
  H      0.00602557      0.94150932      3.80399171
  O     -2.57294674      3.57956528      0.83690698
  H     -7.65266022      0.22813195      4.31121844
  H      0.74529116      1.79494702      2.76833993
  O     -6.27603768      2.91411503      2.59647191
  H     -6.11454962      0.24259449      4.47848774
  H     -4.01504051      3.12339223      5.11348153
  O     -5.30019642      3.25939980      0.12046443
  H     -0.33539987      4.07782186      5.63517072
  H     -2.51343890      2.78689421      5.28320155
  O     -3.42258539     -2.00245495      3.78402281
  H     -0.39218438      3.04262357      4.48949882
  H     -5.10904345     -2.90638687      1.14305458
  O      0.43835879      1.79738006      3.68563607
  H     -1.64563545      0.65065077     -1.09534262
  H     -4.15278100     -3.37679594      0.01800744
  O     -3.39500386      2.39287761      5.23623265
  H     -2.92656962      0.08208502     -0.44778135
  H     -1.59641808     -3.63008983     -0.00556089
  O     -4.67055397     -3.68438299      0.77216702
  H     -6.10225991     -0.80564490      2.59048143
  H     -1.53812244     -4.12493629      1.44947896
  O     -0.98717043     -3.82004390      0.71859161
  H     -5.16102724     -0.65405256      1.37759319
  H     -3.15135349      1.82084684      3.48357106
  O     -2.83013931      1.49991708      2.63319811
  H     -3.14329868     -5.45144104      2.97625218
  H     -2.14260404      0.84938327      2.82951131
          69
 Ord_Energy   -248.958984    
 O   -2.20206189       2.46681762       2.44919062    
 H   -1.66925955       3.20738864       2.14111447    
 H   -1.68404937       2.06517863       3.15927410    
 O    2.97638750      -4.10629225       2.40837240    
 H    3.29483080      -4.99830437       2.51540852    
 H    3.69564319      -3.59709096       1.99356961    
 O  -0.138927072       4.35728645       1.69507635    
 H   0.592948437       3.88852978       2.12791443    
 H   -2.36278493E-02   5.28456974       1.88793302    
 O    4.76441574      -2.41683531       1.23879373    
 H    4.69615078      -1.64644349       1.81799924    
 H    4.40897608      -2.13829613      0.384708971    
 O    3.24277306      -1.30088770     -0.902495563    
 H    3.20596766     -0.485585153     -0.387584358    
 H    2.86799049      -1.07168257      -1.76250517    
 O    1.30365479      -3.05723667      0.306719512    
 H    1.78096282      -3.51234031       1.00813222    
 H    1.95457244      -2.50495934     -0.142488703    
 O  -0.388850719       2.82870507     -0.668977439    
 H  -0.297015131       3.48145032       3.33384611E-02
 H   0.461690575       2.75857782      -1.12965393    
 O    1.83877242     -0.271029115      -3.11710215    
 H   0.936190546     -0.498297423      -2.82916713    
 H    1.87443686     -0.427282065      -4.05710983    
 O    1.90303099      -1.95567369       3.85515237    
 H    2.21852016      -2.79008913       3.48639083    
 H    1.06167531      -1.75163448       3.42104363    
 O   -3.69285989      0.734485030      0.985146582    
 H   -4.57906914       1.08868039      0.962578237    
 H   -3.15941954       1.36335444       1.50308394    
 O    3.89149308     -0.267510563       2.89813876    
 H    3.20123458     -0.854805648       3.24310279    
 H    4.00540018      0.435603946       3.54725194    
 O  -0.613764584     -0.829156339      -2.12622690    
 H   -1.32057571     -0.168642104      -2.08006167    
 H  -0.929571807      -1.64117587      -1.70098007    
 O    2.76489472      0.994860828      0.743879080    
 H    1.85953796      0.655775785      0.638815880    
 H    3.18941617      0.530141592       1.48074520    
 O   -1.31700337      -2.89394760     -0.528727770    
 H   -1.86859345      -2.63214660      0.214749143    
 H  -0.424100101      -3.04735756     -0.179609537    
 O    1.83425045       2.74046683       2.78528523    
 H    2.17081475       2.25156879       2.02321696    
 H    2.47140145       2.60051560       3.49784589    
 O   -2.44018412       1.16562176      -1.60700655    
 H   -1.82432783       1.88114893      -1.39329648    
 H   -2.90876818      0.976051331     -0.786471069    
 O    1.74206400      0.143792763       5.75899076    
 H    1.81913674     -0.700319350       5.29437590    
 H   0.931329310      0.548497140       5.42269325    
 O    3.60958815       1.84275663       4.78991365    
 H    4.18000460       2.20995212       5.45939684    
 H    2.97965598       1.25314975       5.24424124    
 O  -0.446102560      -1.06113458       2.67267656    
 H  -0.185262397     -0.639862478       1.83918297    
 H   -1.30561364      -1.46216857       2.50176859    
 O   0.160510853      0.282710314      0.358785361    
 H   -4.45820503E-02 -0.257241756     -0.414915860    
 H  -0.142160699       1.17433774      0.139986545    
 O  -0.271849126       1.28575611       4.12093306    
 H  -0.377517521      0.436997324       3.66317439    
 H   0.425548583       1.76575983       3.65529203    
 O    2.08708167       2.25947094      -1.74661851    
 H    2.53709364       1.97378325     -0.942459881    
 H    2.03915715       1.47538936      -2.30861592    
 O   -2.93338752      -1.85968626       1.67507434    
 H   -3.22825003     -0.974233091       1.40795374    
 H   -3.71003604      -2.33402753       1.96211576    
          69
 Energy    -248.95889763292291     
  O     12.00464034      9.51776609    -12.87609896
  H     12.29055436     10.31654800    -13.33627519
  H     15.55979316      7.27961618    -17.63399037
  O     14.53192473      6.58428813    -14.93957111
  H     11.98152006      8.81625427    -13.54571363
  H     17.44049412      7.22086405    -16.54372814
  O     16.25225825     11.00046513    -10.25733312
  H     14.99509540      6.41079715    -15.76685946
  H     18.16669441      7.50225715    -15.20721569
  O     17.30304521     10.32597896    -16.78765189
  H     14.94904146      7.35708741    -14.52942616
  H     14.15307295     11.51791446    -14.45591300
  O     11.94633519      7.50764197    -14.78072536
  H     15.48746641     10.50994583    -10.59337348
  H     12.96268151     12.49769637    -14.53524642
  O     16.44089260      6.47646041     -9.70472500
  H     16.70931908     11.35029241    -11.03059624
  H     15.24451377      8.84898296    -12.72747404
  O     14.22011241      5.25327836    -12.53308022
  H     17.63703452      9.44799875    -16.52692064
  H     15.76895990      9.52594477    -14.01489482
  O     14.28502741      9.34157952    -11.28844029
  H     17.94691913     10.69645927    -17.38553667
  H     10.28223139      8.04473642    -10.45285094
  O     15.03836945      8.89463417    -17.89343520
  H     12.84666437      7.19308921    -14.95248967
  H     11.29134829      8.44705436    -11.54879047
  O     16.96881722      4.92146572    -11.84195053
  H     11.53942878      6.81566647    -14.24179796
  H     18.64608224      9.07838899    -10.98190134
  O     15.92254763     11.26903654    -14.58574796
  H     16.86997716      7.32285099     -9.52874229
  H     18.74303161      8.48436751    -12.40397480
  O     15.91660490      6.41365536    -17.35870537
  H     15.48752433      6.62794827     -9.68749298
  H     11.13629313      6.20098444    -12.11659214
  O     18.06581433      7.81815596    -16.11416235
  H     15.11643470      4.97476131    -12.30901290
  H     12.22861918      5.28386362    -12.69782944
  O     13.18464113     11.57835756    -14.40652867
  H     14.29105110      5.65232095    -13.41275241
  H     18.26006960     10.79216459    -12.39750047
  O     15.67214126      8.67344914    -13.57569598
  H     14.16274737      8.49190431    -10.84336447
  H     18.50487560     12.31277954    -12.52851706
  O     11.06678905      7.75147672    -10.91021884
  H     13.48390372      9.49541143    -11.80614416
  H     17.69148505      6.30347462    -12.93273619
  O     18.93068757      9.27572225    -11.88254793
  H     15.72384930      9.50519254    -17.60272529
  H     17.14093330      7.66671979    -13.41539254
  O     11.33201454      5.60698079    -12.85094947
  H     14.21338572      9.17020498    -17.46657759
  H     18.16452160      9.18529658     -8.45459349
  O     17.82889311     11.64331053    -12.59715240
  H     17.43030109      4.12906632    -11.58019553
  H     17.20324629      9.71216403     -9.54554564
  O     17.94079224      7.11796509    -13.38387373
  H     16.84580724      5.45485597    -11.03480829
  H     12.31157135      8.89702942    -16.04301010
  O     17.75461536      8.95373084     -9.28424343
  H     16.57913337     11.48126032    -13.90719375
  H     12.83485759     10.33320866    -15.86721831
  O     12.75219075      9.61938405    -16.50848108
  H     16.40076932     11.04051684    -15.39557596
  H     12.75564289      7.06477425    -10.31140988
  O     13.69208178      6.83386919    -10.29842080
  H     15.85971317      5.83621486    -18.11446872
  H     13.84706263      6.26949068    -11.07212594
          69
 Energy    -248.95878232520812     
  O     11.60279629     10.03562801    -14.21455547
  H     12.18004095     10.06793057    -14.98597288
  H     16.55106305      7.31968102    -16.21132065
  O     16.75826512      7.40876041    -14.35667704
  H     11.80962655     10.82281458    -13.69648615
  H     19.20500711     10.89567708    -13.17759072
  O     16.84073528     10.32739256    -10.71272194
  H     16.09845819      6.85810142    -13.91173310
  H     19.23282441     10.35772811    -14.61745206
  O     16.75571261     12.25887489    -14.45898336
  H     17.38173903      7.67670177    -13.66965291
  H     15.93990380      9.00929013    -14.30122877
  O     13.40822115      7.46121122    -17.06841949
  H     16.83056161     10.03226374     -9.79035481
  H     15.98928582     10.58472635    -14.27914316
  O     15.37595902      7.05837017     -9.24445986
  H     15.92150866     10.38080379    -11.00824741
  H     11.32541636      8.52954423    -13.39974412
  O     15.00422588      5.97559200    -12.75131382
  H     17.41339437     12.02536703    -15.12854152
  H     10.29319440      7.52937568    -12.82401762
  O     14.28100094     10.34843061    -11.76928946
  H     17.23207592     12.37230402    -13.62659476
  H     12.30493483      6.66124056    -14.12870120
  O     18.57334168     11.16693831    -16.26246460
  H     13.23893980      6.99446755    -16.23043974
  H     13.67924401      5.96759067    -14.10542728
  O     17.28420580      5.89957296    -11.06316804
  H     12.90464166      7.00961535    -17.74072839
  H     17.77368009     11.56963251    -11.53046159
  O     16.40797962     10.14324517    -17.49251581
  H     14.62165951      7.23946908     -9.81990425
  H     18.66600024     12.83305761    -11.50554178
  O     16.28981240      7.42897646    -17.13588884
  H     16.01799003      6.58009585     -9.78281787
  H     17.69899437      8.92161652    -11.59885156
  O     19.45906263     10.12995413    -13.70808242
  H     15.75225996      5.73174192    -12.19294545
  H     18.79754660      8.81532772    -12.67725180
  O     15.42016921      9.81165002    -14.16763538
  H     14.47366466      6.59570269    -12.22871397
  H     16.15226455      8.45518680     -8.49975839
  O     11.22767228      7.67161679    -12.94854869
  H     13.66807132     11.07321832    -11.93525908
  H     16.57459929      9.28200222     -7.27150047
  O     12.96784101      6.24676677    -14.69478682
  H     14.64055567     10.10004175    -12.63722759
  H     13.83613185     12.01927664    -15.65204042
  O     18.26048158     12.19888354    -12.09078336
  H     17.82726089     10.77671826    -16.75337281
  H     14.98698622     12.71545930    -14.89048917
  O     18.20948890      8.28553302    -12.11817078
  H     19.18542634     11.49511567    -16.91576354
  H     13.73001060      8.67567191    -11.33798800
  O     16.62271612      9.26071833     -8.22274226
  H     17.70533057      6.70735698    -11.40143534
  H     12.62211509      7.66170647    -11.69585004
  O     14.03425249     12.75019248    -15.05454747
  H     17.98714180      5.28075892    -10.88128819
  H     12.09606440     13.11606454    -12.53881954
  O     13.46693901      7.74960928    -11.23752671
  H     15.49494957     10.34993258    -17.28040585
  H     13.08981509     12.57136508    -13.59242889
  O     12.56673834     12.33149398    -12.80617520
  H     16.46094216      9.17435731    -17.46732315
  H     13.51187256      9.26752430    -16.64724429
  O     13.66482328     10.13295505    -16.24462386
  H     15.33142438      7.31822822    -17.15756981
  H     14.26502619      9.97748814    -15.49576864
          69
 Energy    -248.95867100042196     
  O      0.53075744      9.91024534      4.75926706
  H      0.60573226     10.52456014      5.48443496
  H     -0.03847280      3.77768312     -0.67112646
  O      0.69500882     10.23140625      1.99012441
  H      1.35054210      9.38153702      4.75412059
  H      0.89979220      6.48196071     -3.45769539
  O     -1.57703951      8.01151177      4.38648977
  H      0.55571865     10.27072387      2.94407592
  H     -0.13014929      5.40264208     -3.09086142
  O      2.83026168      4.12216287      0.49572347
  H     -0.16186582     10.23944284      1.53510170
  H     -2.18099606      9.34153173      1.02974293
  O      4.26073346      9.02114841      2.30660909
  H     -0.94642096      8.71881402      4.56794326
  H     -1.28375017      9.45282231     -0.22767360
  O      2.78672035      6.85713681     -3.25660749
  H     -1.07156789      7.19299114      4.48270329
  H      2.99725636      4.10498299     -1.38937975
  O      3.27184422      6.82760954      0.86247624
  H      3.04736613      3.81290168      1.38199768
  H      2.91500458      5.05637870     -2.61468945
  O      0.27298404      5.91188714      4.22534333
  H      1.86251883      4.11981462      0.43463148
  H      3.10884027      4.86577565      4.37091258
  O      0.14914119      3.56390674     -2.51776344
  H      3.95150289      9.72068219      1.72077522
  H      3.44593042      5.32155641      5.80267685
  O      0.36367214      3.38162766      2.97329865
  H      4.12351532      8.20005832      1.81402362
  H     -0.40807264      7.63344632     -2.14656103
  O     -1.28386623      6.45079368      0.49615019
  H      3.34746341      7.23480330     -3.93006212
  H      0.56727097      8.41636999     -1.24267378
  O      0.02987782      4.04465730      0.25376546
  H      2.71441513      7.52112001     -2.55156705
  H      2.92920980      7.53038011      4.73338068
  O     -0.04601696      6.33247898     -3.33216945
  H      2.44346314      7.00584587      1.33719865
  H      3.37353007      8.72302661      3.85883682
  O     -1.58806087      9.93540328      0.55286341
  H      3.27199430      5.88113873      0.68075886
  H      2.96173282     11.76323153      0.37659440
  O      2.79455590      4.14075297     -2.33359669
  H      0.50210429      6.46051525      3.45764775
  H      2.08816156     10.67307643      1.04100136
  O      2.98644853      5.58568574      5.00810886
  H      1.09916913      5.79735305      4.70824374
  H      0.12007794      7.08793693      1.44145664
  O     -0.37051582      8.23844484     -1.39012173
  H      1.11522175      3.69320154     -2.51915675
  H      0.81872407      8.36603445      2.00256850
  O      2.81634636      8.47804766      4.61298885
  H     -0.02956780      2.81072902     -3.07441894
  H      2.07139634      3.28730706      3.18768683
  O      2.87622555     10.82012017      0.48756610
  H      0.11931011      3.49340766      2.04503713
  H      3.37052762      2.49055603      3.46477641
  O      0.85973463      7.40220760      1.97788715
  H      0.14115052      4.20975723      3.42028865
  H      2.63959043      9.41480044     -0.72531784
  O      3.04205647      3.36209340      3.25815798
  H     -1.98428686      6.87211793      1.01019603
  H      2.77457105      7.89946575     -0.46819956
  O      2.45294761      8.55067597     -1.11100298
  H     -1.04456824      7.05009785     -0.22700255
  H     -2.53583916      8.00636270      2.93287056
  O     -3.01289210      7.97374913      2.08440373
  H     -0.48837898      4.85767164      0.34292714
  H     -3.94196412      7.92741722      2.29308344
          69
 Energy    -248.95848913755145     
  O      0.40596729      4.32471734     16.84654277
  H      0.16086310      4.23075838     15.91553251
  H     -0.95671271      5.81797530     19.37605578
  O     -1.24872465      3.88488531     11.63115785
  H      1.36218855      4.21134837     16.93561071
  H      1.58988445      2.22662837     19.88391217
  O     -2.99268341      3.19939038     17.92540499
  H     -1.27795582      4.52283098     10.92372582
  H      2.52882189      1.25108010     19.12749134
  O     -3.69859299      2.98430039     12.39965592
  H     -2.17087000      3.64004565     11.82989544
  H      0.45999601      2.09995554     14.12719632
  O     -0.69534116      1.05042685     11.70756079
  H     -2.56326830      3.94230621     18.36539476
  H      1.69317779      1.25662756     14.55789849
  O      3.06305795      3.76110591     17.38795277
  H     -2.27785676      2.56278684     17.76557650
  H     -2.31676782     -0.12296990     15.22065936
  O     -4.72283696      1.48618692     19.17160577
  H     -3.69874300      2.03236731     12.23760714
  H     -3.32949864     -0.00665159     14.04715985
  O      0.34984266     -1.68714028     17.87258779
  H     -3.66893942      3.07924520     13.36171691
  H     -2.17090523     -0.16583744     20.27416524
  O     -3.14342969      2.85649692     15.15484461
  H     -0.02857849      0.97689145     12.40432503
  H     -3.19798596      0.97504163     20.28171200
  O     -3.21613608      0.15872641     12.18413364
  H     -0.77653057      1.99474228     11.52796033
  H     -2.43227188     -2.61230913     19.65954265
  O      2.86719585      1.31268620     15.89137050
  H      3.87969272      4.22725273     17.54262107
  H     -2.74940042     -1.49014782     18.64535441
  O     -1.09552462      4.92377639     19.07526927
  H      2.88367734      3.22784334     18.18560351
  H      3.35631668     -1.02078948     18.39723185
  O      2.45301085      2.15726794     19.45530682
  H     -5.56248913      1.87796727     19.39755008
  H      1.84381636     -0.85954495     18.13686799
  O      0.92375910      1.26655791     13.96881150
  H     -4.20034284      2.17492066     18.72754035
  H     -0.67612068      3.87248093     13.42421093
  O     -3.23948159      0.08670389     15.00330811
  H      0.02804535     -1.36147102     17.02047791
  H     -1.45582736      3.35679839     14.65433785
  O     -2.33376829      0.72000912     20.62323234
  H     -0.43136074     -1.76436793     18.43268058
  H     -3.83191133     -0.51182865     16.68157324
  O     -2.09749573     -1.79312055     19.30307151
  H     -3.21156213      1.88973855     15.13915737
  H     -4.33778060     -0.02363586     18.06643407
  O      2.68173210     -0.37095228     18.21686077
  H     -3.25781133      3.12947125     16.07185706
  H     -0.55855337      3.27497947     20.06173220
  O     -0.57975201      3.64429430     14.35706055
  H     -2.29031172      0.40069516     11.99977545
  H     -0.95701332      1.83976532     20.53885110
  O     -3.94882329     -0.77523385     17.60294557
  H     -3.46960819     -0.47880919     11.52207975
  H     -0.17302272      2.57042058     17.22407848
  O     -0.21083121      2.40217905     20.27695889
  H      3.02911460      2.16977594     16.30144243
  H     -0.41911045      1.76795293     18.51596545
  O     -0.62169509      1.78878387     17.57202473
  H      2.81378728      0.68232817     16.62019645
  H     -0.63435627      0.43241887     16.42972812
  O     -0.62370929     -0.22723065     15.71699941
  H     -0.54005892      4.80463330     18.28489235
  H     -0.05714725      0.14107954     15.02689752
          69
 Energy    -248.95830825186192     
  O     16.99615689     11.78836773    -10.80449521
  H     16.50359514     11.73231757    -11.63395673
  H     17.79040089      6.67246282    -14.75753327
  O     13.31118233     12.51637895    -11.65537534
  H     17.89596780     11.50335989    -10.99848596
  H     19.41702555      9.06171914    -10.60515715
  O     13.29471391      9.03318831     -9.02700969
  H     14.10676229     12.33434304    -12.16680369
  H     18.48443446      8.28117935     -9.64866123
  O     14.66611986      6.71197705     -8.20096587
  H     13.58832081     12.75922401    -10.76411223
  H     12.76156977     12.43849727     -8.67366058
  O     11.48967107     11.20918282     -8.70376234
  H     13.65937307      8.21930375     -8.65982455
  H     13.41294702     13.79154504     -8.29632611
  O     10.91422176     11.25376240    -11.51977313
  H     14.02225147      9.67120579     -9.05331154
  H     11.36536938      9.46620378    -11.45044928
  O     16.23099945      5.54476913    -14.88805737
  H     14.54907753      6.16342301     -8.99814528
  H     12.35727881      8.72506254    -10.51528197
  O     15.54099869     11.44373154    -13.20232377
  H     14.56625485      6.13404402     -7.44965406
  H     17.17134508      9.18509653    -12.80393874
  O     16.11824563      8.19878625    -11.66681336
  H     11.98519174     10.38042414     -8.65597689
  H     18.06927747      8.88494577    -14.01215633
  O     16.60193544      5.45984901    -12.11166345
  H     11.11991308     11.23982949     -9.59512073
  H     20.09510430      5.60487984    -11.76697356
  O     16.76424393      8.46254987     -8.93241331
  H     10.26903404     11.73790330    -12.02752808
  H     19.31769353      6.85993914    -11.31170611
  O     18.55434118      7.21296393    -14.52128102
  H     11.76570049     11.71407300    -11.63643383
  H     13.92473962      7.65081804    -14.12323024
  O     19.26784169      8.19505856    -10.20773326
  H     15.36508873      5.97815382    -14.78031669
  H     13.26244605      6.33605438    -13.71455434
  O     13.55740095     12.98726101     -8.78712237
  H     16.13466463      4.91286299    -15.59538030
  H     11.32360074      5.56592888    -12.17151354
  O     11.83505286      8.63148968    -11.32716105
  H     16.34049514     11.02962037    -13.55054480
  H     11.96930754      6.93623675    -11.87327801
  O     17.72631495      9.61195041    -13.47411464
  H     14.87851489     10.73524787    -13.22604779
  H     13.60669563      5.48254260    -11.04916638
  O     19.31062046      6.11764654    -11.94225134
  H     16.24120369      7.25671113    -11.83904111
  H     15.13500689      5.22919551    -11.02097887
  O     13.85989816      6.71796113    -14.36789407
  H     16.33159468      8.34808066    -10.73840343
  H     18.93447004     10.30301662    -12.38800573
  O     12.15906931      6.02699793    -12.16015922
  H     17.55336529      5.56552937    -11.97689143
  H     20.21912781     11.09316995    -12.03918214
  O     14.34817989      5.29307114    -10.46268923
  H     16.46468301      5.36946835    -13.06423254
  H     14.71269949      8.82875901    -12.51877617
  O     19.47031601     10.64745568    -11.65172509
  H     16.38158542      9.33153618     -8.74545171
  H     13.18843187      9.08762927    -12.51633478
  O     13.98330389      9.18491681    -13.05265022
  H     16.14495092      7.80548251     -8.59030448
  H     16.00192714     11.19535888     -9.54113344
  O     15.39334451     10.87586760     -8.85412218
  H     18.90307709      6.83209850    -13.70534176
  H     14.83042235     11.63000581     -8.64482798
          69
 Energy    -248.95822711152420     
  O     12.86507307     12.11516103    -14.97298715
  H     12.65096063     11.37848518    -15.56429235
  H     15.71757975      9.48739505    -15.65162869
  O     14.04293492      6.72594831    -12.92640902
  H     13.77491469     12.35993561    -15.16934996
  H     13.65026348      9.27197077    -15.01720629
  O     17.77095142      9.25096142    -12.65198366
  H     14.99772495      6.60960683    -12.82188305
  H     14.22452774      8.24057588    -13.99291456
  O     11.08870884      7.85116172    -15.17722475
  H     13.71851870      7.20203342    -12.14999061
  H     12.18646117     11.90254087    -13.37354731
  O     16.03927181      9.93758708     -9.16795883
  H     18.29437030      9.08298307    -13.44976096
  H     11.09907668     12.36588310    -12.38004873
  O     13.24060047      8.22747075    -10.76176148
  H     18.30746301      9.22622717    -11.85202892
  H     17.07853713      6.42785374    -10.92622640
  O     15.72419437     10.97262772    -13.04835025
  H     11.55757797      7.01020208    -15.15706087
  H     17.78412841      7.36117614     -9.92571352
  O     15.04200171      6.23926162    -16.59840773
  H     11.03819657      8.16831255    -14.26213046
  H     11.71466870      8.58035688    -11.90130141
  O     14.92384402      7.33568407     -8.69294730
  H     15.35560844     10.41578024     -9.65267847
  H     11.30077752      9.88056765    -12.60148506
  O     17.45946671      5.97749691    -15.39856774
  H     15.62307119      9.11752788     -8.87366138
  H     17.90419153      9.13601900    -15.68363710
  O     12.78912851      5.53097454    -15.00736762
  H     13.51417712      9.15421167    -10.81567087
  H     18.31575655      7.70339836    -15.32723208
  O     16.26781402      9.91506188    -16.32819306
  H     13.70110417      7.85260723    -10.00105520
  H     17.04382395      7.56595240    -12.72032627
  O     14.41286629      9.05813907    -14.46517786
  H     15.12967052     10.35286182    -13.50224878
  H     17.06129709      6.30282486    -13.62012944
  O     11.80665933     11.73612770    -12.49280109
  H     16.52041673     10.46022070    -12.84519009
  H     19.18560309      9.49816160     -9.35527015
  O     17.19853340      6.59599789     -9.98195252
  H     14.80881221      6.99365712    -17.15096428
  H     17.67334589      9.51330794     -9.68018019
  O     11.16495598      8.92543823    -12.61408796
  H     14.23422568      5.96703177    -16.14554820
  H     14.74747455      8.77289409    -19.01790418
  O     18.56591807      8.62672905    -15.19752148
  H     14.80783032      6.83309283     -7.89129734
  H     15.24194697      9.14370618    -17.60035458
  O     16.77885992      6.63526616    -12.75900466
  H     15.71712152      6.98340472     -9.13471891
  H     14.67593847     11.02504371    -11.60967050
  O     18.53477550      9.15249006     -9.95993390
  H     17.88381099      5.21063325    -15.77435430
  H     13.19660049     11.29080616    -11.29761642
  O     14.56052201      8.65298242    -18.08993828
  H     16.60057286      6.06887820    -15.84844622
  H     15.79995112     12.08790316    -14.42425656
  O     14.00649889     10.93029322    -10.91526800
  H     12.44958983      4.66686367    -14.78812925
  H     16.18709618     13.35364358    -15.22502775
  O     15.73532275     12.51663593    -15.29619797
  H     13.19973893      5.88525108    -14.19843510
  H     11.88970870      9.09624189    -16.08929378
  O     12.50619059      9.77338839    -16.41502783
  H     16.18170054     10.86260405    -16.16686409
  H     13.04819462      9.37953931    -17.10669242
          69
 Energy    -248.95817287120380     
  O     -6.12517263      0.74785909      1.00053846
  H     -6.25590468      0.95033453      1.93626423
  H     -2.64739180     -0.96770236      4.18909170
  O     -6.03202018      0.94322828     -3.42460821
  H     -5.56935393     -0.04426436      0.97005533
  H      0.00963617      3.87171800      2.62254611
  O     -6.12901684      1.21629139      3.74522779
  H     -5.43266213      1.67162878     -3.19803605
  H      0.83566617      2.56678659      2.64690299
  O     -0.04553196     -0.88956304      2.12730514
  H     -6.44210134      1.17419137     -4.25524382
  H     -5.27655478      2.20254434      0.34874564
  O     -2.08759144     -1.01701654      0.20598135
  H     -5.52565889      1.97846987      3.82727125
  H     -4.60435320      2.91581985     -0.87057123
  O     -4.42226519     -1.38577873     -3.01734358
  H     -6.81787230      1.34141994      4.39173278
  H     -1.12521417      2.17835609      0.24573352
  O     -4.66181725     -1.64419529      0.97497853
  H     -0.53805666     -0.93696708      2.95566028
  H      0.41300872      2.10452743      0.19226553
  O     -1.80575166     -0.90460188     -2.59727646
  H     -0.68636839     -1.08939632      1.43187257
  H     -0.41029644      5.65872431      0.79468094
  O     -4.26405516      2.95371027     -2.73002396
  H     -2.24427776     -0.10526182      0.50287644
  H     -0.62294647      4.14469665      0.57705943
  O      1.50340393      1.22651802      1.43529768
  H     -1.92197481     -0.99218618     -0.74351149
  H     -6.72732040     -1.86819812     -1.20066808
  O     -1.79830729      1.92159371     -2.54180203
  H     -4.95616963     -1.93496948     -2.43057407
  H     -6.76662228     -3.41627341     -1.24579165
  O     -1.71157408     -0.86691819      4.44263586
  H     -4.96433490     -0.61492923     -3.22393420
  H     -1.11354966      2.32892435      3.75840986
  O      0.35528642      3.18751266      3.20915285
  H     -5.13598446     -2.13491924      0.29425530
  H     -1.79053185      0.97305086      4.16398582
  O     -4.66546034      2.90796814      0.09050751
  H     -3.74897987     -1.53066106      0.67254883
  H     -4.91628261     -0.27829760      3.80170417
  O     -0.34839958      2.53089669     -0.22042715
  H     -2.73991488     -1.10981169     -2.78465824
  H     -4.46343253     -1.36083042      2.80091242
  O     -0.81678779      4.88356847      1.17591580
  H     -1.28031531     -1.48505755     -3.14144543
  H     -3.26402235      2.02937226      0.83509303
  O     -6.17553326     -2.67157238     -1.17808803
  H     -3.36045989      2.58913369     -2.68964797
  H     -2.38014067      1.65503490      2.07897592
  O     -1.96041235      1.86824395      3.84962113
  H     -4.18859298      3.84226369     -3.06871629
  H     -4.07360872      4.32635064      1.16027886
  O     -4.30433961     -1.01505550      3.68917049
  H      0.97538163      0.45223106      1.70220384
  H     -2.73342292      4.92981058      1.63515281
  O     -2.49408349      1.52637058      1.12815930
  H      2.41466121      0.94684805      1.43401015
  H     -7.06114767      0.21813549     -1.97884654
  O     -3.67891008      4.91196939      1.82092237
  H     -1.19795687      2.18309773     -1.83162266
  H     -7.13898586      0.16893637     -0.43599272
  O     -7.44206077     -0.27386159     -1.24153483
  H     -1.73789069      0.96060268     -2.61164577
  H     -3.51616628      2.78098301      4.05536931
  O     -4.36972842      3.22054147      3.93540733
  H     -1.60272937     -1.32196788      5.27323531
  H     -4.21020067      3.91810262      3.28580249
          69
 Energy    -248.95814903415510     
  O     -4.14752229     -1.64700609     -0.77361800
  H     -4.66790273     -0.93462231     -0.38483707
  H     -1.91168443     -2.43705695      1.67766928
  O     -2.08329952     -0.70613212      1.86077866
  H     -4.30223533     -2.43832736     -0.24331612
  H      1.27015571     -1.32302329      1.80067031
  O     -5.06935613     -3.03420760      3.27088287
  H     -1.54719258     -0.30756224      2.55982174
  H      1.96757598     -0.74897189      3.04980049
  O      2.26628135     -1.59287063      4.61674585
  H     -1.92995138     -0.18400418      1.06328971
  H     -3.24428930     -2.83740785      6.06194422
  O     -4.42022388     -3.97676811      0.84477982
  H     -5.05931884     -2.07211627      3.22524964
  H     -2.51237433     -3.78189839      5.09284954
  O      0.88648931     -2.99244940      1.05086156
  H     -4.54157332     -3.27254196      4.04776205
  H     -4.43626674      0.14918228      4.78160077
  O     -2.77874781     -1.28095607      7.11624937
  H      1.46110880     -1.48295162      5.13929403
  H     -3.63240923      1.35607414      5.24805174
  O     -4.58227686     -0.24367724      2.90562218
  H      2.25973174     -2.50999387      4.31448089
  H     -2.70771415     -1.38325155     -1.69404818
  O     -1.43397155      0.91737357     -0.34220526
  H     -4.90428980     -4.77253270      0.64299524
  H     -2.12465418     -1.14024285     -3.10415090
  O      0.80631505     -1.66158764     -1.34020973
  H     -4.70977044     -3.68685301      1.73002468
  H      2.06861283      1.54775872     -0.25764804
  O     -0.54300013      0.61230230      3.71374634
  H     -0.04444506     -3.22462934      1.17991654
  H      1.53165596      0.49341110      0.73795123
  O     -1.78117110     -3.39689354      1.61257134
  H      0.95899458     -2.64660497      0.14980887
  H     -2.01697952      1.78503244      3.57200573
  O      1.56425439     -0.49571966      2.20645101
  H     -3.02922716     -1.18426544      8.03117344
  H     -3.48371080      1.43439053      3.25252016
  O     -3.38944231     -3.53227771      5.40967281
  H     -3.26278390     -0.59896081      6.61856880
  H      1.62482006     -3.79833006      2.47479602
  O     -4.06087315      0.55742052      5.57304388
  H     -3.71990112     -0.51757786      2.55420248
  H      2.44758964     -4.89229067      3.19287197
  O     -1.89955584     -1.13304673     -2.17725550
  H     -5.09752371      0.04519304      2.14182313
  H     -4.86167729      1.30623843      0.45378899
  O      1.36810303      0.91464423     -0.12323732
  H     -1.59654907      0.30415931     -1.07151383
  H     -6.33322938      0.98795380      0.09161079
  O     -2.89724947      2.17293483      3.46165796
  H     -0.47781755      1.03344803     -0.27594462
  H     -1.23463534     -3.71642816      3.31736959
  O      1.86492584     -4.15318203      3.34794784
  H     -0.10023959     -1.58166340     -1.66257303
  H      0.08054212     -4.07666672      4.04176485
  O     -5.52784678      0.59552674      0.41792176
  H      1.08198661     -0.76938465     -1.09866520
  H     -0.58388517     -2.22574060      5.10069672
  O     -0.82998222     -3.79806717      4.19332802
  H      0.23563841      0.40689644      3.18020540
  H     -1.13880104     -1.33495662      6.23663877
  O     -0.42369678     -1.40727849      5.59284361
  H     -0.52792515     -0.00687727      4.45882573
  H     -2.77416788      2.03046158      0.25221062
  O     -3.54525865      2.42423417      0.68422513
  H     -2.61405121     -3.76034013      1.29386791
  H     -3.28007015      2.59357692      1.59637334
          69
 Energy    -248.95801939900929     
  O     17.52136753      9.93976470    -14.57552856
  H     18.15984639      9.21443866    -14.59899308
  H     18.15728775      5.23056099    -15.48043036
  O     14.12104193      7.19042518     -9.28841056
  H     16.74955484      9.66944368    -15.09052185
  H     15.59038528      7.92082791    -11.93197825
  O     12.33479925      8.90617581    -10.71178520
  H     14.52104054      7.99985313     -8.92050229
  H     14.99821147      6.92587582    -10.89674005
  O     15.16912078      9.04069519    -15.72991185
  H     13.98916625      6.59140409     -8.55894479
  H     19.26197763      7.06502543    -15.85405722
  O     19.42299222      7.92382370    -14.30468333
  H     12.57476607      9.76099482    -10.33202694
  H     19.82935454      6.41338428    -17.13500606
  O     20.83245940      9.67684727    -12.63639816
  H     12.84516323      8.24465780    -10.23023401
  H     17.52638192     13.34036760    -10.45482628
  O     18.02231750      6.33431672    -12.52885484
  H     15.55714344      8.52936506    -16.45576779
  H     17.37077798     11.81021139    -10.60928519
  O     11.88463134      8.77609982    -13.34692899
  H     14.77907466      8.38245268    -15.13931833
  H     17.27480519      7.01517617    -17.23274362
  O     14.46633837     12.52559789    -11.74387318
  H     20.03780642      8.47546317    -13.80530769
  H     15.87152870      6.43398353    -17.00195079
  O     13.85309950     10.74860524    -13.87901181
  H     18.94130524      7.37734142    -13.66423437
  H     15.12506360     10.02439529    -12.68937178
  O     13.23753723     11.36391648     -9.62575550
  H     21.72609422      9.99784467    -12.55384732
  H     16.58544566      9.68437344    -13.04752988
  O     17.63821258      4.80066441    -14.78997765
  H     20.26207101     10.45693512    -12.76028366
  H     18.50620559     11.24831887    -13.72440429
  O     15.41177795      6.98108872    -11.76626156
  H     17.12700411      6.49034669    -12.20082684
  H     18.50684069     12.12713986    -12.45533487
  O     19.02788232      6.52998411    -16.63112419
  H     17.93374452      5.67107995    -13.23042293
  H     18.05777130      9.47840374    -10.14657039
  O     17.28867964     12.65819293    -11.07876848
  H     10.94711007      8.79039245    -13.51851319
  H     16.76167065      9.94848127    -10.83739182
  O     16.33748613      7.18989294    -17.38167307
  H     11.99731751      8.79670871    -12.37832847
  H     14.44269696      6.90543505    -13.28334912
  O     15.91912784      9.59451841    -12.35186632
  H     15.42561205     12.59916310    -11.67270122
  H     13.15914881      7.52934872    -13.89882390
  O     19.08696702     11.70184667    -13.09662524
  H     14.26591186     12.10855170    -12.59137959
  H     18.90694750      7.49008617    -11.21536596
  O     17.33102823     10.11270257    -10.06867932
  H     14.28931080     10.38548347    -14.66124318
  H     19.86840026      8.69392081    -11.29752641
  O     13.95198389      7.02147388    -14.11028566
  H     13.08257817     10.18719275    -13.72249185
  H     15.96803980      9.76110881     -8.88209769
  O     19.24109428      8.24561699    -10.71692412
  H     13.66888516     11.81270223    -10.37382591
  H     14.50453698     10.24155003     -8.76305956
  O     15.11867205      9.55835056     -8.46643053
  H     12.70951125     12.02136033     -9.18027992
  H     14.34655272      4.50251544    -16.09106470
  O     14.99321437      5.16028940    -15.84762578
  H     16.72687097      4.82076811    -15.10673344
  H     14.55064088      5.77482431    -15.23902787
          69
 Energy    -248.95770728559040     
  O     16.64676674     10.76140971    -12.94693822
  H     17.08831538      9.97595701    -12.60168463
  H     12.57867632      7.16305702    -14.00525451
  O     18.20926720      7.96861846     -7.90081151
  H     16.61419537     11.39209553    -12.21725575
  H     13.04079658     12.29837385    -11.61242337
  O     14.58604214      5.11776097    -10.53515035
  H     18.66862784      7.53296149     -8.62957144
  H     13.04817999     12.06272905    -10.08337166
  O     11.41352040      6.53383538     -9.25466284
  H     17.87768011      8.80387243     -8.25522812
  H     14.16224472      8.50483443    -14.74451992
  O     17.16286415      4.79007639     -9.42388357
  H     13.73134238      4.91170709    -10.93155761
  H     14.73736407      7.21339071    -14.15377275
  O     16.48646698      6.09744144     -6.95459579
  H     14.40201697      5.66237897     -9.75499503
  H     19.93235917      6.03330536    -10.39211389
  O     17.60877339      8.49603649    -11.45546010
  H     11.50254241      5.91762364     -9.99149508
  H     18.45225173      5.83307909     -9.98661458
  O     16.30143448     12.45530098    -10.67001399
  H     12.25492264      6.50626101     -8.78038212
  H     14.17600374      7.64213251     -8.46294179
  O     16.96840731     10.11627885     -9.24580131
  H     16.31915794      4.71784617     -9.88775153
  H     14.83666669      6.45431276     -7.72269291
  O     13.66406104      8.81477659    -11.62919815
  H     16.94455491      5.08236346     -8.52999329
  H     10.80078962      8.85278825    -13.29393110
  O     11.21910925      9.06916354    -10.24650841
  H     17.09629826      6.80916258     -7.22063812
  H     10.51126639      9.52028513    -11.94509007
  O     11.94338089      7.16811668    -13.27232113
  H     16.72017674      5.85296982     -6.06320213
  H     11.47075685     11.19065556    -13.12569713
  O     13.58489040     12.37828426    -10.81953057
  H     17.39347019      9.04804835    -10.69072284
  H     11.55811866     12.62767185    -13.68578871
  O     14.14441279      7.54269426    -14.84288312
  H     18.23848929      7.83523401    -11.14032359
  H     11.64836092     10.42616710     -9.19042167
  O     19.12632388      6.50375892    -10.19795237
  H     16.56721344     13.37009836    -10.62504997
  H     11.53936476     11.41679203     -8.00515775
  O     14.09064185      6.69495785     -8.28665027
  H     15.32864841     12.44832375    -10.71412812
  H     11.89348539      5.67117166    -12.26947153
  O     10.55462246      9.69479064    -12.89534956
  H     16.88715562     10.98820975     -9.65125512
  H     11.44869793      4.22567451    -11.95824102
  O     12.04328763     11.97522147    -13.18699370
  H     16.06230801      9.84464654     -9.03699569
  H     13.55942967     10.99411331    -13.85481769
  O     12.12141008     11.12103346     -8.69993764
  H     14.28217766      8.09284897    -11.81781385
  H     15.05405768     10.52243309    -13.68675881
  O     11.95818579      4.95596954    -11.61532867
  H     13.77249577      9.43851494    -12.36048800
  H     14.19137779      9.24992216     -9.93929610
  O     14.15990697     10.24729548    -13.94644539
  H     11.12938006      8.19493063     -9.83813015
  H     13.65814448     10.00729338     -8.70003481
  O     14.33269674      9.38184511     -8.98963709
  H     12.05757616      9.04213237    -10.73023318
  H     16.29275797      7.42496991    -12.09445169
  O     15.50722025      6.94992464    -12.39907268
  H     12.36667456      7.73208541    -12.61314156
  H     15.32064926      6.23054157    -11.78172998
          69
 Energy    -248.95769457674425     
  O     15.58181465      6.72702530    -13.25960590
  H     16.34050942      6.79164128    -12.66635218
  H     19.85826227      7.91964314    -13.61764709
  O     18.22471148      9.89232896    -11.18257314
  H     14.81368407      7.10916229    -12.80818379
  H     16.03357428     11.12528940    -17.23081359
  O     18.40960051      9.91497373    -15.54278673
  H     17.89467319      9.79766627    -10.27761451
  H     17.33032117     11.27139605    -16.42360238
  O     12.54807427      7.50765703    -14.83408750
  H     17.60092702     10.47235834    -11.64613141
  H     15.88873119      8.33143423    -14.09066246
  O     14.16297344     10.12537688     -9.06986748
  H     17.54204548      9.67250899    -15.17840582
  H     15.17148939      9.48132266    -14.86314139
  O     13.37849081      7.94365725    -12.15150365
  H     19.00344374     10.02393378    -14.79034651
  H     12.01592424     12.37733429    -14.37299654
  O     16.38353540     11.25232383    -12.63483922
  H     13.11542903      6.78987026    -15.13897757
  H     13.04376598     11.26331223    -14.67694722
  O     16.02031884      7.27933826    -17.38192208
  H     12.67404659      7.57022002    -13.87699181
  H     17.06043529      5.79590322     -8.79346133
  O     13.89752992      7.30567807     -9.54316837
  H     13.97594621     10.39836670     -9.98270186
  H     17.08959640      6.63732999    -10.08823735
  O     18.74880334      7.38064160    -16.52562415
  H     13.67246614     10.71615021     -8.50322132
  H     20.86132437     10.27166435    -13.00654791
  O     14.61947656      5.62005449    -15.54555633
  H     13.49473330      8.89995786    -12.08832365
  H     19.48247678      9.87031073    -12.44188974
  O     19.53680218      7.01831910    -13.75196168
  H     13.43670211      7.60262666    -11.24622934
  H     18.43470060      6.93531491    -12.34872483
  O     16.54784333     11.75597924    -16.71396231
  H     16.20762050     12.04032621    -13.16959990
  H     17.88806859      8.09898440    -11.48492858
  O     15.99546547      9.22816092    -14.42787179
  H     16.27612885     10.50110707    -13.23877796
  H     16.02225459      9.70332903     -8.85186843
  O     12.83227291     11.99131436    -14.06612558
  H     15.52055864      6.67161033    -16.82318850
  H     16.85214069      8.40928018     -8.78892849
  O     16.64348844      6.53385970     -9.23137329
  H     16.94026964      7.21785962    -17.09851224
  H     14.75552719      9.69519487    -18.95371701
  O     20.05954921      9.80124895    -13.22122256
  H     13.93139013      8.22061187     -9.23550326
  H     15.36589592      8.82361759    -17.83130142
  O     17.79255300      7.15178325    -11.65646212
  H     14.78243168      6.94755844     -9.40123409
  H     13.32434692     11.20435179    -12.42588605
  O     16.92792110      9.37041549     -8.82853050
  H     18.69039784      8.31978759    -16.27828897
  H     14.75386093     10.92317488    -11.94056975
  O     14.97587420      9.69473679    -18.02608779
  H     19.43346465      7.31416136    -17.18783863
  H     15.85103222     12.71150542    -15.28737428
  O     13.82375758     10.72959056    -11.75042575
  H     15.03100112      5.91242531    -14.71338947
  H     14.59377880     12.87892873    -14.39637016
  O     15.53294551     13.08569041    -14.45183583
  H     14.56249443      4.66862175    -15.50507858
  H     13.10702406      9.05703787    -15.45053979
  O     13.54309888      9.90009440    -15.65127419
  H     19.25588233      6.97521140    -14.67291113
  H     13.90540483      9.85995898    -16.54507159
          69
 Energy    -248.95758909705626     
  O     -9.46257721      1.42975549      3.35936393
  H     -8.71473616      1.61733110      3.95011766
  H     -9.86011775      3.04291547      2.66524806
  O     -5.61483545      0.57413204      6.58438611
  H     -9.06939571      0.96117835      2.61470636
  H    -11.80744826      1.58706697      5.53361264
  O     -7.98382839     -1.86174291      3.50930157
  H     -5.51991053     -0.13604330      5.92873334
  H    -10.53797151      1.20952380      4.72575563
  O     -7.76859577      4.32722782      6.21320597
  H     -6.30986065      0.33616590      7.20863273
  H    -11.26359236      5.78803695      6.03587797
  O    -13.17370140      2.83099187      5.37251284
  H     -8.22591781     -2.77640227      3.38622429
  H    -11.50766667      7.27616383      5.68923355
  O     -7.26568627      2.00088188      4.83292775
  H     -8.43197691     -1.56494380      4.32081761
  H    -11.57397109      4.35920761      2.88496987
  O     -7.94826564      0.21059979      8.13220946
  H     -8.17749680      4.82786828      5.49198703
  H    -11.99150167      5.32468696      4.01243262
  O     -9.42925712      2.47492323      7.51210356
  H     -6.84715947      4.61200593      6.27060823
  H     -6.85775251      0.59036984      1.88526106
  O    -11.55667976      4.42763646      7.11188946
  H    -12.91128344      3.41194166      4.63553210
  H     -7.80789108     -0.59657469      2.10629418
  O     -6.11148321      5.48407986      3.29655991
  H    -14.11698949      2.71066307      5.30671403
  H     -9.18130169      5.05805873      3.34100692
  O     -5.42127967      1.51437024      2.83866125
  H     -6.76557311      1.46312797      5.46024001
  H     -9.58741757      6.07446657      4.44244488
  O     -9.89622994      3.87865739      2.17744940
  H     -7.40927307      2.85807159      5.25228381
  H     -4.86420621      4.25582643      0.68468004
  O    -10.96755842      1.11679504      5.59091183
  H     -8.45197090      1.03178733      8.00485044
  H     -5.69827808      4.45320169      1.97400403
  O    -11.15657009      6.46130308      5.34046890
  H     -8.09632120     -0.06161004      9.03474002
  H     -8.70068828     -0.77811864      6.63032138
  O    -12.29671242      4.57329718      3.48941781
  H     -9.93706777      2.03709937      6.81141292
  H     -9.92044731     -0.43869318      5.76957817
  O     -7.68621754      0.20266406      1.57513187
  H     -8.85070931      3.13463578      7.10263072
  H     -6.23714669     -1.37080673      4.04498369
  O     -8.82914551      5.64745402      4.02442656
  H    -12.18940400      3.86422036      6.64737851
  H     -5.22368201     -0.26046366      3.71124331
  O     -5.47381121      3.81628741      1.27158022
  H    -10.87653250      3.83768658      7.45415020
  H     -4.44440344      1.84404104      5.88766750
  O     -9.17247772     -1.04716624      5.83464468
  H     -7.03978773      5.67544482      3.48395010
  H     -4.20663917      2.19721341      4.41208767
  O     -5.40695283     -0.97258974      4.33577786
  H     -5.68000341      5.38815229      4.15345225
  H     -8.00006489      1.94424162      0.53396462
  O     -4.03675901      2.50422216      5.30779333
  H     -5.32836339      2.26622011      2.23851435
  H     -7.16809413      3.23589210      0.58495444
  O     -8.04188761      2.89131905      0.36184562
  H     -6.08670602      1.76716761      3.49957871
  H     -4.63634153      4.09343670      5.71479936
  O     -5.04799804      4.95435082      5.90749319
  H     -9.33846880      3.72129443      1.40413992
  H     -4.40269111      5.46654760      6.38744019
          69
 Energy    -248.95737122491735     
  O     14.19329460      4.66291722    -10.14229232
  H     15.15336917      4.76646729    -10.19959698
  H     13.78040464      7.78578002    -14.63601820
  O     15.75270532      7.93210981    -16.63757422
  H     13.90933485      4.32390003    -10.99905439
  H     15.22093653     10.72317232    -11.89809296
  O     17.64893159      9.65532521    -13.85314820
  H     14.83892978      7.73805684    -16.39245027
  H     16.45934925      9.96944589    -12.49934030
  O     13.98866662     12.00815847    -12.27623694
  H     15.84824583      8.88989728    -16.57797501
  H     13.64917188      7.69923492    -12.52855067
  O     11.81725692      5.76898068    -13.85377243
  H     17.59511694      8.72845427    -14.13204427
  H     14.91412152      8.60266863    -12.59437124
  O     19.63322066      5.71527650    -10.75316958
  H     18.46255163      9.75005440    -13.34103488
  H     14.53914667      4.36824364    -13.08710190
  O     16.09641627      8.08369985     -9.78067154
  H     14.00622521     12.00312163    -13.25133668
  H     13.87985103      2.97979929    -13.23938802
  O     11.76606510     10.16149730    -12.47140610
  H     13.88030536     12.91540891    -12.00458838
  H     19.53312486      9.23772752    -11.37322374
  O     19.90642711      6.87812629    -13.19069462
  H     12.37032848      5.03386212    -13.56385161
  H     20.61231030     10.16442781    -11.98232660
  O     13.98757792     11.77961799    -14.95391846
  H     11.72069795      6.33508196    -13.07555650
  H     16.32495585      5.43720533    -12.26589861
  O     11.85874479      9.96660464    -15.35369821
  H     20.38336434      5.15979138    -10.56028216
  H     15.39265559      6.34223189    -13.11039787
  O     13.21099484      7.58702148    -15.39595066
  H     19.75431622      6.04926736    -11.66029551
  H     16.97584056     11.14483346    -16.62611956
  O     15.80196661      9.95890288    -11.79030627
  H     15.99353275      8.78576777    -10.44028740
  H     16.86167057     10.41140770    -15.27088864
  O     14.48748048      7.83634541    -12.99246246
  H     15.20620964      7.84811370     -9.49268374
  H     17.01996129      7.25296502    -15.53766212
  O     13.74059990      3.85365304    -12.88187095
  H     12.45910918     10.80538611    -12.28700170
  H     17.06502439      6.39697355    -14.24990589
  O     19.88200832      9.59562565    -12.20965963
  H     11.69426340     10.12297547    -13.43339002
  H     17.99466039      8.35221492     -9.74682695
  O     15.91647504      5.52442780    -13.13831611
  H     20.03475126      7.80835901    -12.96985289
  H     19.21756447      7.46991799    -10.07920988
  O     16.35762335     10.70142243    -16.04941661
  H     19.19981107      6.85380909    -13.84965800
  H     17.82073314      5.43942360    -10.55005197
  O     17.57500269      7.02767457    -14.77647509
  H     13.25117431     11.20595432    -15.20267482
  H     16.62819322      6.39978592    -10.28536519
  O     18.93226648      8.38631959     -9.97289369
  H     14.77300218     11.43605728    -15.39710801
  H     13.06549042      7.02793592     -8.35294963
  O     16.85756233      5.49319701    -10.53857079
  H     11.10367249      9.94992931    -15.93622221
  H     13.66164116      6.19342054     -9.51140766
  O     13.46278976      7.10147998     -9.21716124
  H     12.29917307      9.10462291    -15.44176135
  H     12.42085734      7.49079150    -10.76527490
  O     12.07433967      7.56605943    -11.66169843
  H     12.63780182      6.87466220    -15.07756049
  H     11.86888300      8.49864712    -11.83540572
          69
 Energy    -248.95699217972546     
  O      2.24310894     -0.72182771      4.39464509
  H      2.92849912     -0.98959438      5.00187253
  H     -3.12005729     -0.82580558      5.10931244
  O      0.26296220      1.10842562     -3.03786671
  H      1.47039574     -1.28423477      4.58423221
  H      1.53512121      4.34756335      2.61640490
  O      0.05372876     -2.24172609      4.88759948
  H      0.30889429      0.14726529     -3.10296324
  H      1.17346039      2.98583872      1.97658527
  O     -1.19634401      1.31702463     -0.65096416
  H     -0.36561904      1.29114184     -2.32441711
  H     -2.80172008      2.88965778      1.42902937
  O      0.57495757     -1.74956832     -2.67357957
  H     -0.28791126     -2.92899870      4.30595737
  H     -3.82788101      1.85114496      0.95558728
  O      2.67318616     -0.90787485     -1.15838621
  H     -0.71945609     -1.74387469      5.19056266
  H     -1.69031932     -0.18190729      3.61922257
  O     -3.67344845     -3.27644005      2.62732057
  H     -0.41442397      1.51950113     -0.12234942
  H     -1.04866106     -0.57217203      2.26157986
  O      1.11005214      1.83785085      5.10084556
  H     -1.93918084      1.81603557     -0.28249914
  H     -1.53609252     -0.41646874     -0.85455856
  O      2.58673482      1.87492959     -1.86821227
  H      0.88066229     -2.39547032     -3.30466869
  H     -0.94092802     -1.61773874     -1.63881321
  O     -4.78104353     -1.11110289      4.17523395
  H      1.33960874     -1.52136911     -2.11455270
  H      1.32462829     -1.14984837      1.48893756
  O     -1.69827714      2.89034025      2.92943071
  H      2.82152308      0.00925502     -1.41991267
  H      2.31119824     -0.61200553      2.54695000
  O     -2.19245988     -0.68544201      5.32716740
  H      2.63677491     -0.90296096     -0.19306466
  H     -1.86507408      2.44173175      4.87454896
  O      1.05586373      3.53709168      2.76825971
  H     -4.08801004     -2.64532364      3.22735841
  H     -0.64470670      1.90470361      5.62206581
  O     -3.27016706      2.57316551      0.64258858
  H     -3.84337137     -2.95431122      1.73357471
  H      1.79221947      1.96977242     -0.18902537
  O     -1.58105101      0.09998079      2.70073700
  H      1.18874892      2.42016392      4.33570707
  H      1.58937745      1.00500086      1.01314469
  O     -1.61460564     -1.37444252     -0.99098712
  H      1.51327250      1.00006809      4.84667589
  H     -2.04992161     -3.81502213      2.89323633
  O      2.12303035     -0.60964134      1.60057326
  H      1.78095870      1.67644902     -2.37903978
  H     -1.05054355     -4.99328487      2.98772438
  O     -1.61332823      1.94305475      5.65957997
  H      3.12037081      2.45369786     -2.40517955
  H     -0.49365781     -2.74798299      1.81909348
  O      1.29462351      1.84411858      0.62885435
  H     -4.69416749     -0.58297833      3.36389803
  H     -0.71596276     -1.88991194      0.51929592
  O     -1.10478965     -4.04215269      2.95537265
  H     -5.64367811     -0.92135960      4.53578461
  H     -4.64266753     -2.38614729     -0.67621085
  O     -0.21848955     -1.95387592      1.34387918
  H     -1.57829211      1.93201136      2.83822276
  H     -3.20091168     -1.90011269     -0.40615310
  O     -4.04798697     -2.11545767      0.01910123
  H     -0.81091618      3.26775071      2.90595587
  H     -3.25965685      0.13839615      2.03883103
  O     -4.19323565      0.10498345      1.77234166
  H     -2.07293995      0.24373066      5.58562032
  H     -4.26043877     -0.58977333      1.10611413
          69
 Energy    -248.95683354183365     
  O      1.08457092     -0.10967380      2.95667618
  H      1.20844648      0.83619934      3.10280842
  H     -2.46869473      0.28617339      6.82372745
  O     -3.04307838      0.28878068     -3.21203816
  H      1.43927981     -0.33243714      2.08182134
  H     -0.52248613      2.82958129      0.55032871
  O     -0.24633928     -1.69495111      4.86413330
  H     -2.14789765      0.44679856     -2.86781073
  H      0.64369553      2.99170706      1.54966284
  O     -4.28284591      0.20923826     -0.66697853
  H     -3.09582317      0.73214562     -4.05500356
  H     -1.49983871      1.39133657     -0.58298393
  O     -2.57993392     -2.51604386     -2.58145235
  H      0.34418301     -1.20495631      4.27569947
  H     -2.94698212      1.26196301     -0.10225823
  O     -0.30097025     -2.07032789     -1.06162751
  H     -0.76052308     -1.03392391      5.34133336
  H     -1.67185847      0.47163891      1.41955940
  O     -3.58850647      2.65087428      2.41069187
  H     -4.15726292     -0.73046277     -0.46268560
  H     -0.62218556     -0.13760294      2.40367735
  O     -4.13864024     -3.11825294      3.84812874
  H     -4.06275017      0.30934499     -1.60130211
  H     -4.73278905     -2.60746706      0.51776643
  O      1.00722880      2.68943718      3.33491244
  H     -3.17212070     -2.64975217     -1.82914199
  H     -3.18899166     -2.69649081      0.40205907
  O     -0.60404781      0.54622624     -1.92664051
  H     -2.83042610     -1.66539516     -2.95882926
  H      1.94376388      0.10214544     -0.19470647
  O     -3.59046915     -0.38973509      3.86174415
  H     -0.63558037     -2.41944442     -0.22368364
  H      1.23218663     -1.26209107     -0.15222429
  O     -2.03413231      0.29080526      5.97438598
  H     -0.95762602     -2.34009527     -1.72078192
  H     -2.26405619      2.62289301      3.73444839
  O      0.40981517      3.06062603      0.61447624
  H     -4.34761672      2.06236252      2.35000004
  H     -1.65957865      1.86073206      4.94441415
  O     -2.10831752      1.70247201      0.10282381
  H     -3.10546254      2.53271475      1.58451897
  H      1.39714136      2.27229111     -0.57818326
  O     -1.52521354     -0.22404353      2.06879286
  H     -3.94500662     -2.17843391      3.97860956
  H      2.54725278      2.23396552     -1.61693504
  O     -3.99541008     -2.48918727     -0.09261412
  H     -3.28057035     -3.55565294      3.87367040
  H     -0.94091875     -4.70563321      4.18766838
  O      1.79937064     -0.67349699      0.36002897
  H      1.53399127      3.26041733      3.88735679
  H     -0.96727828     -3.16121406      4.24430355
  O     -1.48637475      2.56121065      4.30554263
  H      0.10657224      2.68601516      3.71008643
  H     -1.48953205     -3.35117446      2.07070107
  O      1.83378890      1.71889055     -1.25126973
  H      0.26076946      0.97171498     -1.87921309
  H     -1.58495654     -1.89688511      1.55409685
  O     -1.39269893     -3.94028251      3.84268610
  H     -0.49031114     -0.36077061     -1.60301210
  H     -6.77044981     -3.01895141      2.04518767
  O     -1.59972833     -2.82518018      1.27112039
  H     -4.32251212     -0.06792352      3.32287193
  H     -5.35208711     -2.82520925      2.63259197
  O     -5.96598153     -2.51773039      1.94109845
  H     -2.81166549     -0.33622769      3.28495693
  H     -5.16974106      0.42014569      0.98843082
  O     -5.46049603      0.32471231      1.90561766
  H     -2.70577866      0.04382235      5.31434260
  H     -5.80385384     -0.57732826      1.95836231
          69
 Energy    -248.95655797649181     
  O     10.28285439     11.08690172    -11.55161367
  H      9.42756710     11.14266419    -11.13353806
  H     11.08624164     10.88266477    -17.45963991
  O     14.76415023     10.68790064    -12.86216673
  H     10.93727675     11.36978694    -10.88794439
  H     14.76150910     14.89456291    -15.82942281
  O     17.44846072     13.06270059    -14.24023269
  H     14.44956838     10.01199037    -12.24726171
  H     14.90268287     13.35766470    -15.74870414
  O     15.95490417      7.29742826    -12.56860830
  H     15.68278261     10.88263701    -12.63605557
  H     17.72484275     10.55154704    -16.14622887
  O     11.31714363     12.02327939    -14.00326625
  H     16.68987958     13.60888649    -14.47373889
  H     18.28860542     11.47587376    -17.24961272
  O     14.82409256     11.81055057    -16.60429397
  H     17.61707361     12.52182492    -15.02248249
  H     13.71485016     13.83470967    -11.39345412
  O     14.27693981     10.11929229     -8.97658661
  H     15.83459319      7.15671872    -13.51505125
  H     13.69143461     15.01757406    -10.39439727
  O     13.65859964     13.17964993    -13.02400065
  H     16.78884267      7.77600822    -12.48124998
  H     18.14231597      8.99222802    -14.39625833
  O     14.10837669      9.51472747    -15.24539022
  H     10.82872593     11.76232494    -13.21102379
  H     17.20689290      8.37616846    -15.45215864
  O     18.33203322      8.89906611    -12.52320749
  H     12.09830598     12.48870119    -13.67481051
  H     15.29663600     12.96388479    -10.01963462
  O     12.15720876     11.84906884     -9.75424313
  H     15.77342683     11.70200949    -16.74884697
  H     15.45250885     11.51950384     -9.51949326
  O     10.64660597     10.02869268    -17.60915564
  H     14.53307422     10.98484254    -16.19012714
  H     11.02648182      9.45298117    -15.92754596
  O     14.98663877     14.18123407    -15.23750277
  H     14.36343431      9.57711849     -8.19695991
  H     11.32934985     10.30404456    -14.66948280
  O     17.61127858     11.41627574    -16.58115869
  H     14.19008404      9.51158988     -9.73242159
  H     15.06727558      8.05952549    -15.42676827
  O     13.77981212     14.06999342    -10.45151320
  H     14.10680526     13.62111821    -13.75624897
  H     15.30089073      6.65170481    -16.02511906
  O     17.88938739      9.04702828    -15.32584378
  H     14.04223430     12.29197739    -12.93807055
  H     11.71036358     12.35283911    -15.89061849
  O     15.94350838     12.25880860     -9.90039225
  H     14.37571519      9.91121950    -14.40211713
  H     12.92229447     12.21378697    -16.84669113
  O     11.37351598      9.40419092    -15.02598078
  H     13.14876678      9.39878263    -15.22252566
  H     11.03148506      9.37061167    -11.98990698
  O     15.67113847      7.29616293    -15.42796608
  H     18.02860672      9.79810980    -12.30586691
  H     11.42516081      8.66414660    -13.29154541
  O     11.96604660     12.33565507    -16.82206072
  H     19.13573376      8.75373271    -12.03099122
  H     16.95587795     11.76778693    -11.28009736
  O     11.50621235      8.60274245    -12.33100632
  H     12.81198317     11.22944439     -9.41003792
  H     17.45203364     12.05771507    -12.75839440
  O     17.34308895     11.37704446    -12.07785895
  H     12.63352016     12.67501907     -9.90234543
  H     14.62733740      8.03417959    -11.63981950
  O     13.98704975      8.61097179    -11.19745743
  H      9.92651112     10.20567762    -18.20860451
  H     13.10694038      8.48144441    -11.58229805
          69
 Energy    -248.95600016854740     
  O     -5.62819347      1.22473470      0.51828982
  H     -4.93339494      1.80472713      0.18365349
  H      1.69766995      1.96955888      1.87401571
  O     -6.39882703      1.59922077     -3.93048561
  H     -5.80525466      1.50891683      1.42428598
  H     -0.44272545      4.15815783     -1.32840404
  O     -5.62863233      2.03217491      3.20853184
  H     -7.19807195      1.96068302     -4.30258434
  H     -1.97665513      3.94536099     -1.27421597
  O     -0.06216111     -1.26922777      2.15898879
  H     -6.67678055      1.03390883     -3.18846698
  H     -2.74514929      2.30024578     -0.13974889
  O     -2.14896868     -1.34805610      0.26838935
  H     -6.23715162      2.50460429      3.76973938
  H     -3.70576538      2.59671013     -1.32276745
  O     -4.83483809     -1.41002903      0.98430858
  H     -4.91273449      2.65259125      2.97899243
  H      1.46826980      0.80188085     -0.35455073
  O     -2.88855064     -0.75120736     -2.36622648
  H     -0.54858295     -0.95865555      2.93262917
  H      1.20355388      2.17637231     -1.02692677
  O     -3.88901538      1.81470839     -2.90066795
  H     -0.72796678     -1.47348653      1.48928202
  H      1.26715556      3.66995003      0.46826283
  O      2.05610090      0.17434359      1.29436151
  H     -2.29569589     -1.22662469     -0.67981862
  H      1.89217365      4.64543442     -0.55442212
  O     -0.48508354      0.19742040     -3.25857867
  H     -3.02925976     -1.43391324      0.65814816
  H     -4.32227641     -1.79446432     -2.03106567
  O     -1.60589480     -0.17794154      4.29529414
  H     -5.10839942     -0.49399529      0.82366639
  H     -5.19063900     -3.05867180     -2.21138219
  O      1.38192935      2.87162449      2.01145277
  H     -5.03631013     -1.88597727      0.16968819
  H     -1.23213004      1.90387560      2.02026195
  O     -1.24465909      4.14748201     -1.86588973
  H     -3.34235856      0.09514366     -2.48176809
  H     -1.29941493      1.49710916      3.50956247
  O     -3.47870813      2.87229034     -0.42114014
  H     -2.00305251     -0.60665988     -2.73197785
  H     -4.45937672     -0.92358535      2.77919816
  O      1.01732000      1.23103498     -1.09464689
  H     -3.19673045      2.12331103     -3.49807364
  H     -4.71174296      0.40055576      3.53038176
  O      1.21529193      3.98128340     -0.45310307
  H     -4.73832126      1.80909365     -3.36544805
  H     -1.67662055      0.37529622      0.39154397
  O     -5.12457676     -2.24495324     -1.71793287
  H      1.31180139     -0.36328916      1.61973901
  H     -0.60508369      1.32654931     -0.20455879
  O     -1.19531788      2.25674895      2.92371228
  H      2.84993270     -0.32255401      1.47302837
  H     -6.40190479     -0.79443581     -1.77158217
  O     -4.19243044     -0.41290719      3.55341463
  H      0.12664452      0.47022412     -2.56218736
  H     -6.58661806      0.49490354     -0.94684740
  O     -1.40231022      1.30056829      0.33772099
  H     -0.77404083      1.01622398     -3.68021876
  H     -3.58982362      3.57581506      1.39238192
  O     -6.88840208      0.03782095     -1.74270853
  H     -2.54148857     -0.29682972      4.05135793
  H     -2.74678819      3.25603939      2.64828557
  O     -3.60123003      3.60365737      2.35663014
  H     -1.52932920     -0.42548599      5.21294740
  H     -1.35880208      3.25867332     -4.92953814
  O     -1.54901913      2.72238508     -4.16462811
  H      0.54148248      2.78709857      2.48131609
  H     -1.38119435      3.27723517     -3.38178628
          69
 Energy    -248.95579857420137     
  O     15.02210507      9.53816711    -16.23029561
  H     15.81607809      9.62640633    -15.68938486
  H     19.04965887      4.61057402    -15.08420333
  O     13.60954606      3.34659469    -15.70081033
  H     14.33992179      9.14385168    -15.67447174
  H     16.89415228      7.67889822    -18.35527287
  O     18.42367445      5.61932792    -12.30419703
  H     14.28457526      2.98976126    -16.28875599
  H     17.24570305      6.16653715    -18.43622827
  O     16.39746441      4.73984339    -19.05224660
  H     13.39767934      4.22657620    -16.04323028
  H     16.63222351      6.40399979    -16.49374250
  O     14.53577610      6.48116657     -9.84699248
  H     17.80628760      6.29938051    -12.61943598
  H     16.39816668      6.51596340    -14.94768607
  O     14.26102854      4.15145507    -13.16755580
  H     19.06575668      5.50132104    -13.01312336
  H     12.13088291      8.63658236    -14.45375111
  O     16.62747876      7.38531824    -13.32795069
  H     15.55560050      5.19873934    -19.19964499
  H     13.28226249      7.78489832    -13.87415996
  O     17.50978055      3.62981310    -15.35305324
  H     16.18780508      3.94634580    -18.55004634
  H     15.33165234      2.92650008    -10.11201880
  O     13.80999295      3.73744925    -10.43179768
  H     15.45340719      6.15498868     -9.82578827
  H     16.24225999      1.85909539     -9.45654474
  O     19.06236470      7.82145085    -15.89433992
  H     14.39801977      6.96382432     -9.03635819
  H     14.44823615      5.99324922    -16.19105962
  O     15.88501995      2.48602987    -17.28836978
  H     13.96817431      3.80717777    -14.02365377
  H     13.15960118      6.78754946    -15.90476746
  O     19.75613719      5.20998277    -14.79516453
  H     15.17626673      3.86965464    -13.04457881
  H     16.75122041      2.89506132    -11.82028328
  O     17.48402935      7.00101507    -18.00137564
  H     15.70901515      7.33587090    -13.03362153
  H     17.43966443      4.09864053    -12.50782616
  O     16.19462820      5.99523388    -15.73395469
  H     16.81945343      8.27000635    -13.66342660
  H     17.64954352      5.52672014    -10.56415899
  O     12.98110392      8.25894012    -14.66678021
  H     16.98264130      4.43140654    -15.51069542
  H     16.89123782      4.42707310     -9.79171293
  O     16.25225364      2.61660393    -10.03463329
  H     17.30368072      3.33086302    -14.45613591
  H     14.50155817      7.22059595    -19.15185201
  O     13.50496429      6.04706940    -16.41307701
  H     13.88479111      4.65026732    -10.12979816
  H     13.75590656      6.21217101    -18.26854817
  O     16.91074779      3.30518846    -12.67867053
  H     13.77418370      3.78707161    -11.39802837
  H     14.05329312      5.89632496    -12.85553630
  O     17.02841203      5.38159295     -9.83948043
  H     18.64360477      7.56801950    -16.73104564
  H     14.10353110      6.82082364    -11.60823339
  O     14.11790839      6.33545593    -19.15635499
  H     19.35803289      7.00004772    -15.48805354
  H     17.92008832     10.43393876    -14.50178325
  O     14.01946010      6.82354174    -12.57010923
  H     16.10753240      1.59289567    -17.54153742
  H     18.07343188      9.03444506    -15.14799480
  O     17.44147557      9.63718546    -14.71336384
  H     16.54477716      2.76232254    -16.63227889
  H     15.47550618      9.61532552    -19.35514459
  O     15.51220210      8.83963107    -18.80223048
  H     20.57853044      4.81431939    -15.07552313
  H     15.28401804      9.12553482    -17.89990544
          69
 Ord_Energy   -248.955475    
 O    2.85924697       3.78492260      -3.10933614    
 H    3.28921151       2.96692610      -2.82262850    
 H    3.02877212       4.41320515      -2.39748025    
 O    5.77308130       1.37416518      0.136471644    
 H    5.30107784      0.594800711      0.482836246    
 H    6.70421219       1.17629778      0.185996413    
 O   -2.69796562      0.735130727      -2.33698440    
 H   -2.78500271       1.66298485      -2.58338213    
 H   -2.66477537      0.709373891      -1.37220919    
 O   0.226672009       3.04358912      -3.13468075    
 H   0.226283386       2.08063245      -3.04002047    
 H    1.13939536       3.32582283      -3.29837584    
 O   0.496509641      -1.25656044       2.72262287    
 H   0.472647488      -1.14300108       1.76493287    
 H  -0.334269673     -0.884146810       3.04306817    
 O    3.78841305       1.46740806      -1.84585881    
 H    4.61068296       1.45506227      -1.34272969    
 H    3.08618045       1.55306876      -1.18336904    
 O    2.97622919     -0.505572736       3.49440598    
 H    2.07622719     -0.812849045       3.28419495    
 H    3.20793867     -0.883144021       4.33864450    
 O    4.35169172     -0.750794649       1.02435970    
 H    3.91561389     -0.732315481       1.88509381    
 H    3.80707502      -1.29411209      0.443521112    
 O   -3.60065579       4.24683952     -0.725958467    
 H   -4.54723406       4.30820990     -0.829470932    
 H   -3.24421978       4.06900835      -1.60924304    
 O   -1.92445779      0.106664062       3.21024299    
 H   -2.77463889      -2.31981594E-02   3.62243199    
 H   -2.09291005      0.253234029       2.26475573    
 O   0.505369186     -0.627583385      -7.11996779E-02
 H    1.16670632      -1.29696727     -0.292683125    
 H   0.977267861      0.218048543       2.71964204E-02
 O    3.13265276       5.29226112     -0.651741147    
 H    3.59051251       4.71722126      -1.28119998E-02
 H    3.45049667       6.17769814     -0.496826023    
 O    2.62307549     -0.771466911      -3.01834774    
 H    3.12416959       8.90502986E-03  -2.73877406    
 H    1.73136127     -0.458561063      -3.21287799    
 O    1.78206551       1.72450101       8.42320174E-02
 H    1.33930337       2.54574084     -0.162317008    
 H    2.10521030       1.84251130      0.988033831    
 O    2.65444136      -2.25056767     -0.763327479    
 H    2.74964213      -3.18390870     -0.933245718    
 H    2.70973086      -1.79725838      -1.62466300    
 O  -0.205643564       2.45965290       3.19236803    
 H  -0.731447756       1.67857289       3.39430380    
 H  -0.688652575       2.90497184       2.48287511    
 O    2.49054551       2.17579556       2.71592140    
 H    1.56683016       2.34168386       2.96291924    
 H    2.73337412       1.31786847       3.08363128    
 O   -2.48010778       3.51093340      -3.19947815    
 H   -2.74714732       3.72376418      -4.09083605    
 H   -1.51282394       3.41892838      -3.22065115    
 O   0.591521919       4.14227819     -0.601349115    
 H   0.433218837       3.85571384      -1.51196492    
 H    1.40910459       4.65643120     -0.590702295    
 O   -1.63173601E-02  0.275203854      -2.76271319    
 H   0.198076800      -7.13805482E-02  -1.88857687    
 H  -0.983736336      0.325487018      -2.78074384    
 O   -1.55309427       3.34430790      0.883813798    
 H  -0.793583691       3.71574998      0.411561340    
 H   -2.34014893       3.71181417      0.459274858    
 O   -1.99990988      0.627728343      0.478504062    
 H   -1.18134344      0.165143445      0.256098807    
 H   -1.79209971       1.56955492      0.584469199    
 O    4.32861519       3.64105964       1.14714015    
 H    4.88927746       2.92367744      0.827657104    
 H    3.75335002       3.25108194       1.81881690    
          69
 Energy    -248.95546024985717     
  O     15.40728640      4.49723596     -9.42852803
  H     15.49611425      5.26091375     -8.84765006
  H     18.26981414      5.89954770    -13.94776052
  O     12.90152386      4.29756402    -10.66052263
  H     14.50744240      4.50786350     -9.78416761
  H     14.02781542      9.66815998    -10.64174345
  O     17.40398525      4.24739424    -11.38522990
  H     12.76611416      3.34152320    -10.62600698
  H     13.82484898     10.16452172    -12.08657622
  O     19.56634185      7.19952955    -13.55784220
  H     13.16590804      4.50632495    -11.56623369
  H     15.42014693      7.58527703    -12.65150264
  O     11.99519543      7.06488899    -13.12293498
  H     16.71221773      4.39404741    -10.72676679
  H     14.97061204      6.17545849    -12.21878281
  O     12.96811344      1.48761376    -10.65622041
  H     18.14950775      4.82403626    -11.16139213
  H     14.22989219      7.65815320    -10.55381475
  O     15.42199605      1.65782558     -9.50672729
  H     19.01426566      8.00002757    -13.49824043
  H     14.29423904      7.73885967     -9.01772492
  O     17.92450678      9.33836657    -13.40373674
  H     20.34075514      7.43759443    -14.06011776
  H     15.36677004      1.95690552    -12.71448872
  O     17.00147817     10.54028379    -10.98058890
  H     11.64965210      6.97361896    -12.22166235
  H     13.88551174      1.85630571    -12.31145112
  O     13.96828692      4.87758741    -13.23461027
  H     12.53799125      6.28646594    -13.27645862
  H     12.09540856      7.25454443    -10.09448864
  O     15.44679058      8.46598001    -14.29647483
  H     13.81219902      1.45774153    -10.17014957
  H     11.75142656      5.79028572    -10.38012505
  O     17.54434937      5.26828924    -14.03264461
  H     12.43994010      0.75871404    -10.34372114
  H     18.72729389      6.81107588    -10.52373273
  O     14.31623710     10.33910599    -11.27587737
  H     15.49987252      2.59920727     -9.30036636
  H     19.54003199      6.50233845    -11.79097730
  O     15.33125883      7.00376795    -11.88485103
  H     16.04575444      1.49510079    -10.22586988
  H     17.27606859      2.54019719    -11.72580643
  O     13.78316885      8.03381998     -9.77906669
  H     17.08130297      9.11221124    -13.82143558
  H     17.81985931      1.16728959    -12.18647963
  O     14.47771940      2.22420231    -12.97898936
  H     17.69904767      9.82673748    -12.60413525
  H     16.18779142      5.64112117    -14.98559838
  O     11.39843325      6.68704027    -10.45088067
  H     17.22031298     11.40850263    -10.65338891
  H     15.39296577      5.53660932    -16.31624808
  O     19.31180098      6.15114019    -10.92067830
  H     16.03562550     10.52463992    -11.10850699
  H     16.38186668      7.30902099     -8.65439697
  O     17.03592257      1.60758828    -11.86981562
  H     14.35170517      5.20893781    -14.05686903
  H     16.10739095      7.10532670     -7.14392702
  O     15.35841810      5.89666184    -15.43456038
  H     14.16373649      3.92677180    -13.20432185
  H     17.27440486      8.83178062    -10.28967309
  O     15.75331569      6.93457023     -8.01273819
  H     15.34901423      7.66456143    -14.82657927
  H     16.66874703      7.48809606    -10.75427160
  O     17.25469252      7.88730017    -10.09181272
  H     14.58066046      8.88727826    -14.21712260
  H     12.55804357      8.65226420    -13.47852832
  O     12.94927155      9.52301420    -13.67656563
  H     17.41572906      4.89057530    -13.15333453
  H     12.27634958     10.03178343    -14.12039813
          69
 Energy    -248.95528631885452     
  O     10.55511948     10.78756201    -12.46411184
  H     11.50573852     10.88744181    -12.61352612
  H     17.46312710      5.48661514    -13.95009391
  O     13.85127426      7.06273970    -14.95041945
  H     10.48007688     10.26260758    -11.65688123
  H     15.85460516     11.13019263    -16.18258382
  O     17.90374623     10.28866762    -11.16747195
  H     14.35353425      6.66936029    -15.67506530
  H     17.38113274     10.96329239    -16.14189013
  O     18.52992861      9.80131913    -17.15406156
  H     13.34683526      7.82231597    -15.26985105
  H     15.26912561      7.92683406    -14.18377756
  O     12.51513405      9.45817442    -15.37481310
  H     18.47650327     10.78482977    -10.58857140
  H     15.92131512      9.18620962    -13.51376687
  O     12.81230156      6.11269801    -12.59747455
  H     18.43176296      9.54778221    -11.51432575
  H     10.55268173      8.83512608     -9.41473231
  O     15.95604430     10.98964085    -13.07269902
  H     17.77515827      9.29404089    -17.50549370
  H     11.67712364      8.72874804    -10.46976857
  O     16.30116048      8.46952608    -17.91776153
  H     19.10242491      9.99447011    -17.89104563
  H     10.25516306      7.67318997    -11.78872264
  O     14.89447323      4.61314621    -11.61217552
  H     12.83307714      9.82115496    -14.53227646
  H     10.07163205      7.72825421    -13.31530809
  O     18.63350761      8.14349412    -14.89777643
  H     11.56349070      9.33634477    -15.27328833
  H     18.62613391      7.34917881    -11.97659980
  O     15.66608155      5.93590111    -16.74330035
  H     11.86791160      6.32474607    -12.60504318
  H     19.22827378      8.16931244    -13.12364033
  O     17.63476332      5.54223620    -14.89514491
  H     13.16736675      6.36750492    -13.46172677
  H     16.30632493      5.65134153    -11.87941811
  O     16.64227596     11.38370721    -15.68639473
  H     16.68379658     10.89434160    -12.44648412
  H     16.62719705      6.98287557    -12.64633364
  O     16.07601521      8.27402122    -13.78607231
  H     16.30618130     11.23519018    -13.94326601
  H     16.56287886      9.06608013    -10.46056448
  O     10.72458276      8.88810488    -10.35111181
  H     16.08501838      7.60310711    -17.55375552
  H     16.35727850      7.56043725    -10.68000097
  O     10.25837801      7.12709080    -12.58501635
  H     15.56468972      9.05737604    -17.70644423
  H     13.93110551     10.99729305    -17.80458157
  O     19.19546606      8.10797780    -12.15866224
  H     14.60461043      3.84995304    -11.11943527
  H     13.65309353     10.10508275    -16.57731793
  O     17.00279607      6.29728400    -12.06990277
  H     14.08907899      5.05441684    -11.92661578
  H     14.23218522      8.38226095    -10.67563245
  O     15.96194155      8.33710359    -10.26747272
  H     17.72087929      8.25790905    -14.58756765
  H     13.21584556      7.55682536    -11.53361915
  O     14.35087856     10.41153772    -17.17823148
  H     18.74072706      8.71973288    -15.66231384
  H     13.31501170      9.70468211    -12.26650698
  O     13.33031666      8.37224012    -11.02698054
  H     16.36313661      5.74814937    -16.08977889
  H     14.19438487     10.79020158    -12.94003816
  O     13.30364999     10.41385645    -12.92485003
  H     15.58693529      5.15725613    -17.28867308
  H     10.01191931      9.84288510    -13.83197900
  O      9.84354768      9.21970542    -14.56272696
  H     18.16561654      6.34525763    -15.00328727
  H      8.97893715      9.42634209    -14.90752576
          69
 Energy    -248.95503361949307     
  O     14.80257592      8.41856097     -9.61487069
  H     14.83153250      7.46733963     -9.75757601
  H     12.43015135      6.69150958    -15.63559763
  O     15.72403678      5.11870316    -15.90764296
  H     14.30401493      8.76421689    -10.37042957
  H     17.06322263      7.21977130    -18.50185734
  O     16.89663835     10.12319130    -10.23864766
  H     15.99226800      5.74655430    -16.58897289
  H     17.46853859      7.34062924    -17.01067615
  O     18.01060412      9.47809434    -13.80204466
  H     16.48840448      5.02405860    -15.32698364
  H     17.43721468     11.10844681    -14.31308337
  O     10.51685016     10.82784194    -13.54176161
  H     16.17309688      9.57692351     -9.89937001
  H     17.65924035     12.54568467    -14.83322278
  O     17.12014557      6.29031400    -11.98920501
  H     16.50099031     10.84593930    -10.74375921
  H     16.04973374      7.40930318    -13.03028796
  O     11.37424078      8.12526301    -13.14629279
  H     17.12446908      9.08716275    -13.74136563
  H     14.96595814      8.52714125    -12.94061883
  O     15.78401875     12.10156880    -11.89113386
  H     18.43676454      9.25638420    -12.96527062
  H     14.13061632      5.71529704    -11.18040622
  O     14.37702438     11.24281084    -15.46229494
  H     10.82678693     10.73733543    -14.46136310
  H     14.60454475      4.96920119     -9.91380854
  O     13.12636640      4.99693874    -15.13216099
  H      9.67417373     11.27264202    -13.57697967
  H     18.62139731      4.37463424    -14.04501053
  O     14.85945265      8.59738096    -16.07438142
  H     16.40936508      6.05396180    -11.37815076
  H     17.74052211      5.46978566    -13.39896608
  O     12.30515816      7.64173939    -15.74808436
  H     17.65245615      7.00275447    -11.60936976
  H     12.24036754      6.51770455    -12.48792164
  O     16.71664363      7.19871987    -17.61453562
  H     11.65838605      7.96558478    -14.05886983
  H     13.01183759      5.46555686    -13.29688560
  O     16.98602719     11.94065083    -14.53078290
  H     10.92129135      8.97729079    -13.15247926
  H     19.50240994      8.53389121    -10.71309351
  O     15.63302732      8.12828400    -13.51754620
  H     16.23787344     12.14650393    -12.74018303
  H     18.07015948      9.10998197    -10.84368969
  O     14.84664405      5.66268226    -10.52217065
  H     14.84572746     12.17306542    -12.10353710
  H     18.53801565      8.22087686    -15.11864711
  O     18.04992029      5.11079179    -14.24822489
  H     15.23940111     11.61520456    -15.24080619
  H     18.55526758      6.67707446    -15.21129295
  O     12.88338206      5.80403558    -12.40211603
  H     14.55787417     10.33112909    -15.73627466
  H     11.75375525      9.47743052    -16.07787686
  O     18.71234768      8.49031785    -11.24346325
  H     14.06059559      5.03105517    -15.40361655
  H     12.52229524     10.81665067    -15.97645301
  O     18.63531378      7.48440546    -15.73519370
  H     12.78222256      4.16422503    -15.44550533
  H     12.21885172     11.61622846    -13.05768009
  O     11.63712014     10.43174990    -15.98551079
  H     15.14871099      8.33512155    -15.18526497
  H     13.54327223     11.63777359    -13.86171817
  O     13.16471089     11.78871118    -12.98254672
  H     15.46092054      8.18887747    -16.70688964
  H     12.84925798      8.79381331    -12.32944343
  O     13.64032515      9.23547939    -11.99525935
  H     13.19321970      7.98927129    -15.92243462
  H     13.55752168     10.16673889    -12.23506901
          69
 Energy    -248.95489629117344     
  O     10.88136215     10.04029799    -11.15509919
  H     11.72955137     10.38110957    -11.46765296
  H     15.06216880     13.37903192    -13.82591586
  O     13.58027760      7.44272200    -15.13190984
  H     10.36416365      9.83738224    -11.94465528
  H     15.52841209      8.27192838    -12.66267423
  O     12.07738727      9.67375697    -14.56693203
  H     12.97945333      8.19687016    -15.04934973
  H     16.26031273      7.23195486    -13.58571948
  O     15.80662536      5.51910276    -10.30237215
  H     14.35737454      7.65943233    -14.59168151
  H     10.28801210      7.78818381     -8.98980160
  O     12.90506124      5.71398093    -13.02164031
  H     11.16742753      9.47898390    -14.31130275
  H     10.83688501      8.58998896    -10.19651538
  O     15.11141522      8.90443469    -11.01385468
  H     12.53410835      9.97829200    -13.76915855
  H     18.58136353      7.44805722    -11.77308724
  O     15.53210156     10.25671363    -17.20194713
  H     15.70510906      4.92173836    -11.05172983
  H     19.08072043      7.78330176    -13.21289443
  O     15.20533393      4.09062907    -12.73594065
  H     14.93029593      5.90882179    -10.17632346
  H     10.37604896      6.82609914    -11.44885028
  O     16.75435224     10.37714471    -14.61408274
  H     13.61619436      5.06301246    -12.96222412
  H     11.09653449      6.16297304    -12.64399602
  O     15.15049829      7.42845121    -17.40081222
  H     13.07675822      6.24529948    -13.81097894
  H     18.30675551      9.52514017    -14.76242403
  O     17.67466456      6.70083858    -16.25538636
  H     14.47024245      8.22348297    -10.75689959
  H     19.77690252      9.34654123    -15.20085409
  O     14.93882353     12.43498909    -13.87059462
  H     15.96269950      8.65420382    -10.63370079
  H     17.32233829      5.82046433    -14.75749992
  O     15.73072036      8.03869144    -13.57758026
  H     16.06085781     10.30259314    -16.39505527
  H     17.89156135      5.94691361    -13.31557134
  O     10.81387923      7.70882654     -9.78052078
  H     15.41595727      9.31725275    -17.38511725
  H     16.96339789      6.83783120    -10.20072211
  O     19.02505445      7.08471447    -12.54867032
  H     15.36038464      3.16420700    -12.90125353
  H     17.95492577      7.66447737     -9.34926988
  O     10.27459107      6.59635740    -12.38102202
  H     15.91901592      4.57943677    -13.18455950
  H     14.11864978     11.21355129    -16.55545403
  O     19.02962922      8.88009951    -14.83350210
  H     16.34188182      9.57641058    -14.25398004
  H     12.87049402     11.00836249    -15.65925749
  O     17.14993483      5.59565389    -13.83087735
  H     16.24096399     11.12837262    -14.29570966
  H     12.50691501      7.11049766    -10.12861551
  O     17.48282380      7.66251345    -10.17839105
  H     14.52236239      7.36804640    -16.66248831
  H     13.17713490      6.49039930    -11.38727379
  O     13.47697377     11.67890500    -15.99772447
  H     14.76148691      6.95421343    -18.13188996
  H     14.02461294     10.13069813    -11.79845790
  O     13.35618716      6.85569439    -10.50852827
  H     18.14392221      7.47515468    -15.92260640
  H     13.91360019     11.36959985    -12.72637356
  O     13.39878408     10.67702517    -12.29375360
  H     16.88358969      7.01434309    -16.71069566
  H      9.79051999      8.08520883    -13.16145731
  O      9.59603725      8.97940710    -13.49539493
  H     14.39751132     12.25692685    -14.66302949
  H      8.69212063      8.97273169    -13.79753810
          69
 Ord_Energy   -248.954895    
 O   -3.23053741      0.722349048      -2.72379971    
 H   -2.51162910       1.36874533      -2.66793394    
 H   -3.10919571      0.239636838      -3.55058551    
 O    2.84687567     -0.385134220      0.621849239    
 H    2.65576982     -0.370653927     -0.326302350    
 H    2.34299278      -1.13224888      0.963329017    
 O    2.55881619       2.21763778       1.37139690    
 H    3.41313934       2.61151075       1.53052640    
 H    2.71779275       1.27368224       1.18679667    
 O   0.884811401       1.77200842       3.68000531    
 H    4.66021188E-02   2.25043154       3.70886946    
 H    1.38496935       2.09618711       2.92161298    
 O    1.58827865     -0.376681447      -4.70830965    
 H   0.909101367      0.308614254      -4.84657001    
 H    2.18328691     -0.332497448      -5.45133305    
 O   -4.45648956     -0.675493479       1.64190352    
 H   -3.88200641     -0.808773875      0.870196998    
 H   -5.04264212      -1.42755234       1.68113339    
 O   -2.58882165       3.24511838       1.22522700    
 H   -2.06560826       2.45775414       1.00777316    
 H   -2.65518713       3.77254391      0.421056509    
 O   -1.22450948       2.69168353      -2.59132314    
 H   -1.75704467       3.40835238      -2.22437978    
 H  -0.458679557       2.58580279      -2.01016331    
 O  -0.526191592      -2.20041895      -4.00544167    
 H  -0.456669152      -2.30844212      -3.04832864    
 H   0.271439344      -1.73308432      -4.28365469    
 O   0.981634259      -2.47238588       1.32084763    
 H   0.543524444      -1.85749733       1.93688810    
 H    1.17762399      -3.26403451       1.81532466    
 O    1.71490836     -0.261337638      -1.93489659    
 H    1.80851626     -0.293654799      -2.89443541    
 H   0.997392356     -0.866950095      -1.69804597    
 O  -0.291832536      -2.05376220      -1.17137754    
 H   0.126352534      -2.32136488     -0.342818141    
 H   -1.16473019      -1.70507693     -0.944875777    
 O   -4.95407152       2.71727753      -1.68634152    
 H   -5.18001986       2.43661380     -0.786597311    
 H   -4.53370237       1.95989120      -2.11255813    
 O   0.896886110       2.13953090     -0.885998547    
 H    1.50022757       2.35898376     -0.165140107    
 H    1.23908281       1.33922815      -1.31406498    
 O   -2.68823051     -0.761684537     -0.474590063    
 H   -2.11239219     -0.123189867      -2.35638209E-02
 H   -2.98949623     -0.324043155      -1.28344989    
 O   -2.65568304      -7.78194983E-03   3.76889515    
 H   -3.33779597     -0.164911032       3.10449767    
 H   -2.52220392      0.945753157       3.82775760    
 O  -0.459022701       1.37356377      -4.98213005    
 H   -1.21714163      0.793827116      -5.12783194    
 H  -0.694869101       1.94588315      -4.24044657    
 O   -2.49983120     -0.647821009      -5.04244423    
 H   -1.84850812      -1.27522373      -4.68040514    
 H   -2.95399380      -1.09625661      -5.75028753    
 O   -1.03892148       1.01616395      0.756083965    
 H  -0.318476290       1.35806167      0.211615607    
 H  -0.665398717      0.520915091       1.49538600    
 O   -1.82748866       2.80629969       3.81250072    
 H   -2.17664981       3.43474436       4.44025564    
 H   -2.12611055       3.09517360       2.93440461    
 O  -0.154327855     -0.613994479       2.90243864    
 H   0.345538348      0.122437559       3.28549910    
 H   -1.04825485     -0.567748964       3.27344799    
 O   -2.96976829       4.49150753      -1.30163598    
 H   -3.22748327       5.38371992      -1.51603425    
 H   -3.74381256       3.92308474      -1.47607517    
 O   -5.16647673       2.01802564      0.989898622    
 H   -5.03610802       1.09958005       1.25274718    
 H   -4.33639002       2.46842051       1.19204390    
          69
 Energy    -248.95457155247215     
  O     -0.93695597      4.00335980      2.87058329
  H     -0.48889121      3.22224160      3.21752684
  H     -0.58052622      8.43625877      0.42953463
  O     -2.56769784      6.00601497     -0.30530585
  H     -1.66597451      3.71601402      2.30395944
  H      1.84585404      1.72959382      0.85220477
  O      4.11598612      5.95701239      0.04651496
  H     -2.49890621      6.68601328      0.37787363
  H      0.40433786      1.29876086      0.52073297
  O      2.18168401      7.30785063      1.42911695
  H     -1.74931651      6.05727239     -0.81398703
  H     -0.14562647      4.54206088     -2.41761306
  O      0.01538771      6.11296981     -1.52046622
  H      3.98604749      5.02683770      0.25430889
  H     -0.95659585      3.49273772     -3.23171233
  O      2.87445595      3.29230310      0.39534736
  H      3.79073124      6.05516709     -0.86128393
  H     -3.00329277      1.71576137     -2.86882362
  O      0.74869095      4.98224194      0.83097158
  H      2.29029374      7.14945469      2.37419383
  H     -2.34956541      1.18046524     -1.58603367
  O     -2.00682250      7.94137621      1.64819657
  H      2.96001151      6.94380516      0.97829683
  H      2.08699394      3.11216886      3.55104670
  O     -0.93306290      1.94337935     -0.56171313
  H      0.27642156      5.61223729     -0.72824022
  H      3.01020245      3.56079336      2.40716964
  O     -0.61779531      6.64980698      3.59316716
  H      0.05804365      7.04515543     -1.25429624
  H     -3.74945994      5.25006998     -1.57187067
  O     -2.77650837      3.49457878      0.88415643
  H      2.10932401      3.87458834      0.53959033
  H     -4.61366917      3.97330529     -1.62140474
  O      0.17696386      8.45150125     -0.16750100
  H      2.89772780      3.12154717     -0.55493546
  H     -2.94087439      3.44018324     -4.83820485
  O      1.13961021      1.13296374      1.12722886
  H      1.17255463      5.80554132      1.11581618
  H     -3.21054370      3.83707631     -3.36647724
  O     -0.15824207      3.61702390     -2.70236099
  H      0.18832148      4.66688415      1.54958962
  H      0.81160385      1.48623906      2.78154798
  O     -3.15403689      1.12642905     -2.11967329
  H     -2.55168772      8.60787976      2.05868551
  H      0.60682183      1.10292804      4.26953264
  O      2.74138100      3.77854124      3.30576258
  H     -1.49910275      7.51823276      2.36321943
  H      2.83666185      2.36153917     -3.04992434
  O     -4.19882913      4.64543647     -2.17635001
  H     -0.61276859      2.52026961     -1.26723664
  H      1.57192416      3.12359816     -2.59393633
  O     -2.63860558      3.30041891     -3.94471640
  H     -1.53226519      2.47607202     -0.02036754
  H      2.75837043      6.57727715      4.82364943
  O      0.65781442      1.84573639      3.67477295
  H      0.31030916      6.66924210      3.85063602
  H      2.42260078      5.44310330      3.83046000
  O      2.51851140      2.99911394     -2.41497764
  H     -0.82903732      5.71268445      3.47116133
  H     -5.75681217      1.92581767     -0.37597368
  O      2.21314965      6.36225753      4.07125322
  H     -2.71791681      4.38068746      0.49706241
  H     -4.38916494      1.85926827     -1.10024659
  O     -4.95294329      2.41368721     -0.53125736
  H     -3.59485856      3.10145524      0.55789922
  H      2.82699346      4.91766487     -2.55657832
  O      2.82289196      5.87361782     -2.42498978
  H      0.94084327      8.22352301      0.38253207
  H      1.90319805      6.10601717     -2.25904809
          69
 Energy    -248.95418287658342     
  O     10.75818050      9.05670927     -8.62262478
  H     10.61136449      9.67788844     -9.35632554
  H     13.53161186     12.20156619    -13.56026013
  O     14.00185226      9.21423016    -16.71342156
  H      9.91281549      8.92926229     -8.19833211
  H     17.10067277      9.61983529    -11.63393451
  O     11.87443553      7.25868067    -10.65069749
  H     13.49992511     10.04838550    -16.66848983
  H     17.01483667     10.67306088    -10.49920260
  O     14.56508206      8.86727723    -14.01106254
  H     14.47841826      9.22336672    -17.53890402
  H     15.82520308      8.16183825    -12.93360506
  O     12.45586165     11.42849530    -16.46007468
  H     12.81886297      7.28380617    -10.44017504
  H     16.99104274      7.18867258    -12.64510533
  O     12.00162028      8.23358912    -13.23041344
  H     11.44026394      7.73315559     -9.93403780
  H     11.89620905     15.53313331    -12.12940402
  O     15.33573199      8.50853844     -7.56653587
  H     14.49157766      8.93836244    -14.97122488
  H     11.87850758     14.23319821    -11.28786164
  O     13.46828938     10.33685627    -10.79648436
  H     13.69086326      8.61271925    -13.67793704
  H     14.92263215      7.96249800     -9.27726127
  O     13.11573109     10.03825670     -7.30942131
  H     11.54449152     11.10990382    -16.46136534
  H     15.28995810      7.75290481    -10.78764809
  O     14.79870271     13.80335411    -11.07722670
  H     12.55837817     11.94385099    -15.64951371
  H     11.30446614     11.33730661    -13.60913502
  O     10.76095310     10.75931301    -10.74718708
  H     11.50065066      9.05936648    -13.24459001
  H     10.21187251     10.52820826    -14.35709707
  O     12.67244632     12.52639385    -13.86073305
  H     11.88480670      7.83395954    -12.35707143
  H     13.77579536     11.53693933     -9.50402815
  O     17.14371522     10.56530001    -11.45356617
  H     15.57462584      8.07791009     -6.75046235
  H     14.33462261     12.96323311     -9.50575314
  O     16.44619009      7.86362657    -12.24783389
  H     14.52416404      9.01909273     -7.39082709
  H     15.86853038     11.20983124    -12.41642401
  O     12.25201197     14.64975200    -12.08510852
  H     14.01154116     10.69881597    -11.50623047
  H     14.87746276     10.56395853    -13.40885937
  O     14.55896696      7.83568079    -10.16330143
  H     13.81972458      9.46608694    -10.57068620
  H     10.41701304      9.25885711    -16.15548314
  O     10.60243269     10.68109340    -13.48851655
  H     12.29854963      9.72701490     -7.71925028
  H      9.15047636      9.97147550    -16.69119403
  O     13.95754084     12.29059550     -8.91846987
  H     13.28847966     10.92408866     -7.64877460
  H     15.76412894     11.44305082     -8.66717625
  O     15.04035796     11.37129798    -12.89967494
  H     14.01643667     14.22766763    -11.45267986
  H     16.24240765     10.03120999     -8.30262683
  O      9.92878505     10.10213683    -16.15702471
  H     15.08248595     13.16317994    -11.73597462
  H     11.02035444     12.49630131    -10.13235554
  O     16.50381798     10.83450764     -8.76822835
  H     11.71670476     10.58539618    -10.78615000
  H     12.19866676     13.10257943     -9.35514061
  O     11.41172880     13.33766448     -9.86014493
  H     10.45691226     10.73974929    -11.66300020
  H     12.38041600      8.18241705    -16.33169842
  O     11.52482303      7.90785432    -15.98098378
  H     12.47746465     13.31767579    -13.34226051
  H     11.65047813      7.81428527    -15.02584973
          69
 Energy    -248.95406913309208     
  O     16.54235013     10.05318630    -15.61257896
  H     16.67437895     10.99698327    -15.76701968
  H     18.97072399      3.98692548    -14.39788680
  O     16.80989763     12.83394161    -15.75927972
  H     17.40598229      9.62707766    -15.50549306
  H     15.83888674      7.94671580    -10.89890697
  O     14.29779121      8.47094626    -15.67426862
  H     16.25950567     13.14157515    -15.01577972
  H     15.32189230      7.17558387    -12.18397452
  O     18.87336780      8.74243292    -15.02777002
  H     16.70360523     13.46795173    -16.46337503
  H     18.56451248      7.23653275    -16.12948207
  O     20.65461523     10.63363380    -13.98112656
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  H     18.73449417      8.19022719    -14.24305583
  H     17.75432508     14.11346036    -10.91241397
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  H     21.54772397     10.92010914    -14.15153065
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  O     13.64694778     11.51722252    -12.86731654
  H     20.10011284     11.43413352    -13.96222969
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  H     17.70625265      7.22074882    -12.36233401
  H     16.22347602     10.04573210    -13.83105298
  O     18.39041637      4.73461552    -14.28216580
  H     18.59720243      6.24299607    -13.17123583
  H     18.58248825     13.07736374    -13.12836092
  O     16.09782115      7.54143637    -11.73960193
  H     12.31749137      8.83580247    -11.68333917
  H     18.34217886     12.83143404    -14.63009945
  O     18.30367713      6.36605416    -16.45826739
  H     12.64551184      7.66533666    -12.65236062
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  H     11.96836561      9.35618017    -13.88279338
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  H     19.41049392      8.56237286    -11.84167011
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  H     13.07516658     11.13284869    -13.54258889
  H     20.10869326      9.85306340    -12.29511087
  O     14.06480030      6.73448376    -13.41639289
  H     14.46514923     10.99110023    -12.87207003
  H     16.17166122      9.82232049     -9.79096760
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  H     13.17186905     10.81373681    -11.26098198
  H     14.64370051      9.56585094     -9.82419378
  O     15.49337230      9.15729878     -9.61674053
  H     12.38079985     10.74402070     -9.93576823
  H     15.50266388      5.13809956    -15.46721254
  O     15.52007377      4.73383790    -14.59064386
  H     18.42606315      5.25007178    -15.10829033
  H     16.45399673      4.63853257    -14.36899913
          69
 Energy    -248.95390690869385     
  O     -1.00550012      0.13694203      0.28720443
  H     -1.89358005      0.48108004      0.44741286
  H     -0.84574705      0.10244897      4.96634470
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  H     -1.04478803     -0.82675638      0.30046787
  H     -2.40929233     -0.65900372      3.50242948
  O     -2.63234374      3.49392446      2.02859603
  H     -2.88846581      5.33420152     -1.02581022
  H     -3.46109823     -1.41503444      2.63808904
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  H     -2.54306750      3.83690339     -1.19088962
  H     -1.74995115      1.36237433      6.97627679
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  H     -2.71075444      3.98222396      1.19857824
  H     -2.12782969      1.77417255      5.53312120
  O     -0.50907773     -0.60258475     -3.24649279
  H     -1.69238497      3.51656863      2.26073363
  H     -3.50461537      0.50555842      1.77261567
  O     -4.34757591     -0.85792638     -0.77487410
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  H     -3.26629216      1.96437955      1.29578529
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  O     -1.37914030      1.55677412      6.11926152
  H     -4.21221874     -0.07006185     -0.22717112
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  O     -3.50907034      1.08046162      0.99260407
  H     -1.32484866      2.24941459     -2.16985712
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  O     -3.38426461      2.00600667      4.36723261
  H     -2.69999381      1.69936585     -2.57904790
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  H      0.15430999     -1.97589050     -2.44583516
  H      0.39352395      2.61501132      2.49882785
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  H     -0.37553339     -2.69707275      1.21476594
  H     -3.92645352     -0.14383213     -3.80453274
  O     -3.27633499     -0.03448787     -3.11532349
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  O      2.82182997     -0.88364662      1.78483834
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  H      3.76249686     -0.88016830      1.93839777
          69
 Energy    -248.95312960261379     
  O     -0.72698558      4.49217402      1.91720016
  H     -0.94158723      4.27220842      1.00319416
  H     -5.82813006     -0.91328182      3.00427380
  O     -2.03554466      2.77920208      3.63737843
  H      0.20442609      4.25949203      2.02495331
  H     -3.30136762     -1.29615163      2.95010504
  O     -0.25953125     -1.13955909      4.68416750
  H     -1.65158193      3.54357443      3.18422647
  H     -2.14558851     -1.95602904      2.13111400
  O     -1.71056735     -2.51261617      0.48353139
  H     -1.93371976      2.05586663      2.99972223
  H      1.38068283      1.87450070      1.41748191
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  H     -1.03659763     -1.29473542      4.12553095
  H      1.48377777      0.46007670      2.03343208
  O     -3.99768599      0.42792718     -1.97087814
  H     -0.41291627     -0.29828237      5.13137819
  H     -4.57507240     -1.21766637      0.78791026
  O     -4.66487450      2.03454370      2.74624073
  H     -1.04828098     -1.92772854      0.08794584
  H     -3.40826285     -1.92601962      0.05415618
  O     -3.57816641      2.17734227      0.16743723
  H     -1.26924784     -3.34364430      0.70019034
  H      0.39130481     -2.92119100      4.19546060
  O     -1.47239098      3.66810847     -0.77121533
  H     -1.11793781      1.86753085     -1.67021090
  H      1.64579390     -3.42776407      3.45120067
  O      0.28723901     -0.87905546     -0.61179285
  H     -2.11072539      0.77580793     -2.10931834
  H      0.07175127     -4.36626716      2.24279527
  O     -1.65942201      0.88747051      1.67304225
  H     -4.59853787      0.27466726     -2.69445161
  H     -0.31930035     -5.62390712      1.42914050
  O     -4.99784668     -0.66834690      2.60408304
  H     -4.12149263     -0.30617850     -1.34163618
  H      1.20135600     -3.70994949      0.44906707
  O     -2.35617071     -1.49524888      2.95673056
  H     -4.47493061      2.23408599      1.81836920
  H      1.41065665     -2.33282330     -0.21674752
  O      1.09691280      0.96063668      1.30048599
  H     -3.92491665      2.40830290      3.23962303
  H     -1.19301580      2.01033001      4.99199469
  O     -4.25216527     -1.47350840     -0.08344456
  H     -3.85545877      1.63949022     -0.58476239
  H     -0.98760594      1.81042471      6.50987386
  O      0.74690833     -3.67247640      3.70699674
  H     -2.90856581      1.66168538      0.64874876
  H      1.07693510      2.05433442      5.02719419
  O     -0.20389210     -4.68004364      1.36284223
  H     -1.72454744      4.36493985     -1.37392738
  H      2.17662670      1.29007132      4.27669242
  O      1.87761377     -3.06589263      0.20592433
  H     -2.29892535      3.26584321     -0.45484291
  H      2.80857541     -2.85279860      1.66105489
  O     -0.67302193      1.52514539      5.65534666
  H     -0.18996994     -0.31730715     -1.23934030
  H      4.08247714     -3.15901041      2.48681002
  O      1.91718396      2.17510848      4.56984674
  H      0.68563122     -0.26438208      0.02009211
  H      1.30826000     -0.70308145      3.90020137
  O      3.21108052     -2.77761107      2.54529347
  H     -0.70943442      0.92559362      1.50286891
  H      2.61743858     -1.16893879      3.19400813
  O      2.12365150     -0.39125840      3.47972743
  H     -1.85649093      0.04302883      2.09496040
  H      2.73791419      3.99157133      2.09832867
  O      1.91779776      3.51773269      2.20786597
  H     -4.92058647      0.29784677      2.69112540
  H      1.93993690      3.11956995      3.09656587
          69
 Energy    -248.95248510663282     
  O     11.96040179     11.07473537    -11.32875449
  H     12.74524175     11.34917535    -11.82082030
  H     17.95854722      5.87750165    -17.81694762
  O     13.22470648      7.63938511    -15.31700282
  H     11.29720669     10.84714120    -11.99218757
  H     16.63468013     13.22767401    -14.87718012
  O     17.95748154      8.99990908    -17.39008321
  H     13.63123149      7.45735597    -16.17776661
  H     16.68987955     11.68170673    -14.85607095
  O     12.53428302     10.29781960    -14.88095601
  H     12.91727933      8.55572327    -15.29557269
  H     14.87089998      8.05230198    -14.70148641
  O     16.42568961      5.82778515    -10.48145781
  H     17.99433235      9.48993463    -16.55867129
  H     16.18837053      7.32089249    -14.34744480
  O     12.96603367      6.31386672    -12.90789493
  H     17.18204385      9.33033259    -17.86303466
  H     11.71340710      9.16928345     -8.81768518
  O     15.73330686      9.37870564    -11.87865660
  H     13.12662999     10.65096662    -14.20141342
  H     12.07568056      9.74633964    -10.20609902
  O     15.51138822      9.76039444    -18.60803051
  H     11.66389157     10.22583195    -14.46957659
  H     19.36431412      6.04713721    -11.80320593
  O     15.09859867      4.56185978    -12.78340255
  H     15.64788346      6.41109891    -10.48315119
  H     17.85699306      6.27080159    -11.55913286
  O     17.59471361     10.15961438    -14.84895121
  H     16.43517559      5.39824385     -9.62902357
  H     11.09042799      8.01366747    -11.07564703
  O     14.74911060      7.22355687    -17.56117402
  H     13.59439564      5.57805369    -12.91466156
  H     11.41215778      7.10948999    -12.28283309
  O     17.53909474      6.33901449    -17.09541359
  H     13.00503680      6.72702293    -13.78243071
  H     18.66312927      8.42239400    -12.31955173
  O     16.08868100     12.44645921    -14.84450569
  H     15.21493262      8.78704340    -11.32123708
  H     17.62436392      9.50293674    -12.01167994
  O     15.75600735      8.18401955    -14.34178923
  H     15.76121004      8.95076715    -12.75026331
  H     17.76048679      5.94801359    -13.82773004
  O     12.08693693      8.93712505     -9.66339915
  H     15.06239683     10.35031998    -17.97644995
  H     17.33981052      5.86079259    -15.34713909
  O     18.58707989      6.46479089    -12.16870404
  H     15.32329675     10.09928046    -19.47911880
  H     14.89334068     11.82854557    -16.19231980
  O     10.74618618      7.71260719    -11.92440958
  H     15.53951210      4.77949596    -11.95576472
  H     13.58165767     11.01802548    -16.24721996
  O     18.51646395      9.37393640    -12.36408451
  H     15.71968043      4.83574944    -13.47302369
  H     13.76897276      7.05741546    -11.46515491
  O     17.04464038      5.72617840    -14.43607251
  H     18.11289408     10.00038013    -14.04766124
  H     13.50621194      7.89956418    -10.18654926
  O     14.30858134     11.34860466    -16.79078102
  H     16.89247907      9.49040349    -14.82749550
  H     14.83640343     11.92647877    -13.52281883
  O     14.18639474      7.40693293    -10.66252914
  H     14.95535820      8.06512295    -17.98840230
  H     14.77870634     10.76519953    -12.50029367
  O     14.23807320     11.42959751    -12.95300323
  H     15.59985089      6.80364538    -17.39600551
  H      9.28733524     10.05362240    -13.49542318
  O     10.22317119      9.97141233    -13.33417324
  H     17.76051087      7.28158673    -17.19982993
  H     10.35732080      9.11736234    -12.88479556
          69
 Energy    -248.95242143534770     
  O     20.05128419     11.45402112    -18.51957213
  H     19.80599983     12.33024746    -18.87049752
  H     18.36096437     14.04393780    -18.98261950
  O     19.29680895     17.66791490    -14.08070087
  H     20.31837497     10.92304707    -19.26482454
  H     21.47300731     15.93585228    -16.91960101
  O     21.43750469     12.32081660    -13.87259606
  H     20.22590563     17.64329558    -13.82699665
  H     20.12406660     15.25297645    -16.53329162
  O     15.55395181     15.62699935    -14.20658230
  H     19.24401637     17.85844041    -15.02970830
  H     14.07516370     14.73153333    -14.95081695
  O     16.67474350     13.79247067    -18.10179940
  H     22.10400142     11.69890830    -13.59385853
  H     13.62053500     13.27064844    -14.78389831
  O     14.26198485     11.65879229    -13.94449459
  H     21.57801852     12.47659268    -14.82409076
  H     17.21170115     12.82727705    -13.54147423
  O     13.95561389     13.17659570    -17.86731797
  H     15.92179419     16.32149639    -13.64704082
  H     15.69635705     12.63161568    -13.26514790
  O     21.64597262     12.76518856    -16.54518177
  H     15.88469038     14.79066860    -13.84585894
  H     16.00297392     10.98809682    -16.60965608
  O     22.67178666     16.90953342    -16.04662288
  H     17.05361878     13.02622511    -17.64770571
  H     14.63482452     11.56498228    -17.02891131
  O     17.03405856     17.41732099    -12.59968388
  H     15.72733096     13.61938310    -18.17359315
  H     19.63388383     17.26106844    -17.22289125
  O     18.71024532     12.44103477    -14.45840591
  H     14.55738104     11.31768469    -14.80806268
  H     18.14397972     17.41151401    -16.88502879
  O     19.29175201     13.95393297    -19.22431016
  H     13.73446131     10.97381838    -13.54299140
  H     21.09743514     13.97670394    -12.96933491
  O     20.73205037     15.41927816    -17.27009846
  H     13.74915019     13.55549669    -16.99371839
  H     20.01713224     14.81601182    -12.22050999
  O     13.50488138     14.05399757    -15.33636622
  H     13.17308194     13.27547082    -18.40249704
  H     22.44886548     17.54144345    -12.60770854
  O     16.44501846     13.21623152    -13.09558733
  H     21.18163726     12.20584455    -17.17981298
  H     21.64654242     16.29013533    -13.03958986
  O     15.05382151     10.93159327    -16.43366964
  H     21.49352139     13.67010600    -16.83989778
  H     17.83940104     15.80014415    -11.87084545
  O     18.99843742     17.86509660    -16.82758945
  H     22.50018470     17.00623327    -15.09807920
  H     17.62736090     14.29092472    -12.04268402
  O     20.91819445     14.83701118    -12.57524553
  H     23.26964479     17.61506609    -16.28243227
  H     18.52426305     11.33843243    -17.43820330
  O     21.98155410     17.15571376    -13.34343700
  H     17.83596202     17.59173763    -13.12330576
  H     18.10498546     11.76115655    -16.00406294
  O     18.26894923     14.94676413    -11.74254568
  H     16.83398935     18.22042607    -12.12616373
  H     19.13534231     15.72689433    -14.57770468
  O     17.76128795     11.51173295    -16.87408287
  H     18.78517830     13.37135135    -14.73051955
  H     18.15135243     15.37884336    -15.71391323
  O     18.90925030     15.04160553    -15.21597156
  H     19.58654911     12.19461792    -14.14270140
  H     16.23689029     16.00973754    -15.86055062
  O     16.79524109     16.13150482    -16.64132853
  H     19.79104260     14.56346828    -18.66459080
  H     16.68120582     15.35812630    -17.21187450
          69
 Energy    -248.95202457425509     
  O     10.65769031      8.25518369     -9.94580598
  H     10.49270422      8.62750245     -9.06977101
  H     12.99452577      6.91477553    -12.24550715
  O     10.42518285     11.55113551     -9.04455332
  H     11.30519263      8.80593081    -10.40148476
  H     15.47549500      5.60339489     -9.59753253
  O     10.51146055     10.35151051    -13.20409534
  H      9.81724511     11.47412031     -9.78726337
  H     15.34918899      4.11944674     -9.98033615
  O     13.12144255     11.34849837     -9.22467616
  H     10.15346047     10.87518095     -8.40539144
  H      9.38754806      7.85726915    -14.80715115
  O     10.27949568      5.58155397    -10.31905319
  H      9.86289998     10.78986081    -12.64177669
  H     10.02480832      8.77656367    -13.73759199
  O     13.84992954      2.91513219    -10.16659242
  H     11.29382890     10.22263762    -12.64671493
  H     12.17583298      8.57037825     -4.86451721
  O     15.82079830      5.59293448    -12.66452697
  H     12.16075078     11.48998642     -9.13726466
  H     12.60614985      8.63226988     -6.35072727
  O     11.50236529      5.99316372    -12.76141321
  H     13.53789343     12.19725740     -9.10165057
  H     13.45927058      6.18491676     -8.93158953
  O     10.68128310      5.91732018     -6.64165890
  H     10.48672648      6.50521513    -10.09682373
  H     13.95362997      7.06466865    -10.11445057
  O     12.52607780      9.75661644    -11.42197573
  H      9.32582937      5.49057203    -10.21742197
  H      6.61781328      5.71060041    -10.27157915
  O      8.34702800      8.29739701    -11.43283967
  H     13.87675268      1.96242367    -10.19340682
  H      7.63018918      6.83880472    -10.57706758
  O     13.78526083      7.38112915    -11.93790142
  H     13.66037936      3.21689542    -11.07278015
  H     13.94313430      8.34789081     -8.12715817
  O     15.93622032      4.88299292    -10.04841327
  H     16.66761073      5.59186640    -13.10136609
  H     13.59126428      9.86385311     -8.11547956
  O      9.68459264      7.87751556    -13.90112403
  H     15.97811545      5.32979917    -11.73932544
  H      9.07603912      6.57909137     -7.18338472
  O     11.88472648      8.37122197     -5.74985860
  H     10.91298681      6.58763638    -13.23958674
  H      7.97324781      6.67269898     -8.26977525
  O     14.09955278      6.86699187     -9.17998019
  H     11.04348802      5.75088957    -11.94328688
  H     12.82560470      4.04052847     -9.07307172
  O      7.49678187      6.02150922    -10.07010179
  H     11.15921969      6.67396616     -6.27964225
  H     11.57106679      4.93212505     -9.24991417
  O     13.73792735      9.09754436     -7.55041549
  H     11.30658468      5.44516008     -7.20370686
  H     12.74025880      4.54824583    -12.83224202
  O      8.32516800      7.11260839     -7.49126172
  H     13.13021930      9.02790945    -11.62133097
  H     14.27867642      4.43887794    -12.83172680
  O     12.32914541      4.76327692     -8.67054044
  H     12.90802608     10.31447839    -10.73309504
  H      9.20803982      8.64603038     -7.45094901
  O     13.46980722      3.93706122    -12.66984213
  H      8.65639902      8.08885000    -12.32384100
  H     10.54868893      9.09725019     -6.81265691
  O      9.89401901      9.33156422     -7.48261917
  H      9.14144314      8.30682481    -10.87289896
  H      7.71838348     11.57009760    -11.24052798
  O      8.54653546     11.09502473    -11.23030385
  H     14.54644472      6.89348021    -12.27474097
  H      8.32364527     10.15178479    -11.26276831
          69
 Energy    -248.95202059198687     
  O      0.98470112      0.88517999      5.07568550
  H      0.56319509      0.04040412      5.31511662
  H     -1.52524563      1.52063262      2.13878063
  O      1.48067177     -0.28023844     -2.67845238
  H      1.53791902      1.12964301      5.81410016
  H     -3.64767808     -1.19950038      5.22264785
  O     -0.30242367     -1.42768834      5.69553585
  H      2.10479471      0.38195991     -2.35584362
  H     -3.27750595      0.29220157      5.44577739
  O     -0.74401646      0.29465631     -1.05790473
  H      0.61850469     -0.02620257     -2.32037635
  H     -3.54880564      1.00695360      0.00425487
  O      1.92455638     -2.60173922     -1.34074031
  H     -1.22901283     -1.15031498      5.75343548
  H     -2.57145526      2.15628445      0.30637076
  O      3.51943141     -0.80065130      0.34147361
  H     -0.31997899     -2.28194178      5.25162898
  H     -1.17617871     -0.79373593      2.60521738
  O     -3.15580045     -3.63868352      3.08662455
  H     -0.11819252      0.76611914     -0.49100176
  H     -2.19424313     -0.30596395      3.66990562
  O     -1.26593941      2.67477469      4.56497409
  H     -1.58213836      0.77294315     -0.99493127
  H      0.15099910     -2.63166698     -0.76009450
  O      3.25244367      1.41990642     -1.21264372
  H      2.40953917     -3.23508669     -1.86360532
  H     -0.80972056     -1.42352357     -0.64547512
  O     -5.52436744      0.28380980      3.34935465
  H      1.80332411     -1.81189825     -1.89960044
  H      1.34783184     -0.74338416      2.44281582
  O     -5.10436969     -2.12844796      4.49987161
  H      3.10039500     -0.58851180      1.18637407
  H      1.72708295      0.39708842      3.41357109
  O     -1.34360267      2.41317326      1.80439449
  H      2.99710084     -1.50221337     -0.06416149
  H     -4.27013402      2.67515886      5.56440515
  O     -2.91350369     -0.60283685      5.41331981
  H     -3.25029572     -3.48194015      2.13979740
  H     -2.93861976      2.29499929      4.88274847
  O     -3.01877901      1.69683151     -0.41659501
  H     -3.87087066     -3.16001763      3.52355345
  H      1.78897937      1.83089383     -0.07419848
  O     -1.89475096     -0.16928230      2.76359706
  H     -0.51276537      2.10835232      4.76675012
  H      1.37769225      1.17767742      1.26862026
  O     -0.70957253     -2.36195281     -0.41522080
  H     -1.25124557      2.79909556      3.60491917
  H     -1.58872489     -3.79910775      3.79007314
  O      1.93469059      0.02178617      2.54980833
  H      4.07625485      1.86817946     -1.38226401
  H     -0.48872368     -4.72815069      4.36039428
  O     -3.85020934      1.99349057      5.04620786
  H      3.46090930      0.63890328     -0.66793037
  H     -0.14435047     -2.23163595      1.30996461
  O      1.05510996      1.73288116      0.54346202
  H     -5.13536966      0.13396480      2.47566695
  H     -0.05181795     -2.72408763      2.80158852
  O     -0.66839440     -3.82612295      4.11052677
  H     -4.99953205      0.96758072      3.78114872
  H     -2.37344420     -2.89524243     -0.01784566
  O      0.14610609     -1.99521816      2.19991100
  H     -5.88456394     -2.45137454      4.94247269
  H     -3.66266789     -3.65412523     -0.39797594
  O     -3.27963404     -3.09224993      0.27170745
  H     -5.35022586     -1.28879427      4.07108310
  H     -3.28806037     -0.35716543      1.66718551
  O     -4.05971919     -0.46257541      1.08740164
  H     -0.49007773      2.36415416      1.35326385
  H     -3.97637010     -1.34498357      0.71166573
          69
 Energy    -248.95116814995683     
  O     -0.58863825      0.25105169      0.40511889
  H     -1.47307241      0.63420776      0.46086715
  H     -1.31354257     -0.08519650      4.86903535
  O     -2.24338245      4.47248503     -0.55822813
  H     -0.68299668     -0.70664624      0.34452350
  H     -2.63651132     -0.75146955      3.12716489
  O     -2.63161678      3.55521636      2.08226184
  H     -2.55217424      5.26881829     -0.98354519
  H     -3.57372331     -1.35871796      2.03112349
  O      2.63429273     -0.62708712     -0.48845043
  H     -2.37455042      3.75223531     -1.19862289
  H     -2.50287000      0.96876940      6.84242968
  O     -3.52711219     -2.41571721      0.41308404
  H     -2.59357627      4.01895382      1.23551637
  H     -2.69193318      1.51321144      5.40571380
  O     -0.95752779     -0.83620136     -2.96564072
  H     -1.72512024      3.53775012      2.42424420
  H     -3.35084924      0.57838605      1.40719720
  O     -3.37248711     -0.22572904     -1.57860718
  H      2.31215738      0.24777258     -0.74183415
  H     -3.01406613      2.07411636      1.15031907
  O     -2.49492343      2.47835639     -2.42720008
  H      2.10899735     -1.26326779     -0.98905710
  H     -3.50210885      2.51367182      3.44958091
  O      1.17345390      1.73041113     -1.08065184
  H     -3.92114056     -3.28251415      0.34991016
  H     -3.89138205      1.02179955      3.62367901
  O      0.89296218     -2.44592112     -1.86221028
  H     -2.56343294     -2.54506521      0.36593006
  H     -0.90385806      2.73215490      5.90449206
  O     -0.81427052     -2.55974294      0.34570303
  H     -0.63160443      0.01204208     -3.29021597
  H     -0.59194441      4.14929945      6.40776783
  O     -1.04839507     -0.59128027      4.09271522
  H     -1.78956136     -0.65205790     -2.51111652
  H     -0.37785888      4.26627697     -0.07246610
  O     -3.49271794     -0.65365872      2.68504642
  H     -3.59184226     -1.06314894     -1.15736250
  H      0.44956535      3.97639228      1.19286912
  O     -2.02477581      1.24647487      6.06522066
  H     -3.36981951      0.40093655     -0.83703566
  H      1.32735984     -2.15690171      2.62295522
  O     -3.15386432      1.22481867      0.71431890
  H     -1.66412917      2.30136193     -2.88756503
  H     -0.03703904     -2.05835192      3.34525414
  O     -3.77419080      1.85323857      4.09983093
  H     -2.93189765      1.62586934     -2.33720266
  H      1.63686043      0.32106259      2.61015519
  O     -0.38441991      3.52701382      5.71445559
  H      0.52716155      1.15864692     -0.63715348
  H      0.34978627      0.67382419      1.82918314
  O      0.51122356      4.04782108      0.23150390
  H      1.09478559      2.59450978     -0.65023654
  H     -0.06380515      3.62176441      3.92310418
  O      0.47816640     -2.60282214      2.73636519
  H      0.23448532     -1.88160244     -2.30872777
  H      0.37439937      2.56939429      2.88180207
  O      0.83509450      0.85509854      2.64981693
  H      1.17271668     -3.09989911     -2.49699466
  H      0.51142666      1.79167473     -2.70051911
  O      0.00345181      3.45933876      2.97267772
  H     -0.34126801     -2.68256707      1.18388084
  H      0.57486677      2.14880209     -4.20621338
  O      0.01545476      1.76300831     -3.53789372
  H     -0.19113566     -2.67561021     -0.38176767
  H      2.81500648     -0.91837939      1.21847255
  O      2.83511257     -1.04884637      2.18376391
  H     -0.39427087     -0.04356772      3.63339270
  H      3.74918875     -1.16849541      2.42600600
          69
 Energy    -248.95107013483067     
  O     12.55109366     10.95185222    -15.41269588
  H     12.80558057     10.21828279    -15.99290849
  H     15.61955836      5.69757617    -14.80395779
  O     15.70031923      6.50851740    -13.14309314
  H     13.32569034     11.51995245    -15.35612803
  H     19.40204365      7.83067108    -13.94398419
  O     17.06734228     10.53302716    -11.16023024
  H     16.39769651      6.88240069    -12.58878722
  H     20.62496010      7.60145134    -13.02545813
  O     17.13496609     10.45144183    -15.49713194
  H     14.88679276      6.56017698    -12.62167668
  H     14.53490561      8.78237561    -15.15735688
  O     12.75049071      6.09291071    -16.19113735
  H     16.26873124     10.76167444    -11.65556746
  H     15.35563481      8.02471805    -14.05891864
  O     14.25945419      9.37980622     -8.81041286
  H     16.92545551     10.81471810    -10.24576480
  H     11.60765408     10.20200540    -14.14578031
  O     13.52327124      6.94975335    -11.46579684
  H     17.76226891     10.65693904    -14.78524679
  H     10.19231533     10.01274174    -13.55535744
  O     14.82928979     10.98961743    -12.71362816
  H     16.48170595      9.83715174    -15.12236914
  H     11.57139317      7.88929991    -13.72429803
  O     17.28927662      6.53087096    -17.42424433
  H     12.08638845      5.52665591    -16.57482472
  H     12.37047517      6.80838036    -12.96708256
  O     15.58377013      6.91124804     -9.52372241
  H     12.41354376      6.37052935    -15.31952241
  H     18.27724038     10.75981475    -12.53367403
  O     18.76728450      8.00321103    -15.54807231
  H     13.65810539      9.52150855     -9.55233730
  H     19.28194251      9.83179967    -13.22235103
  O     15.48383601      5.47402832    -15.73450242
  H     14.68069505      8.52560844     -8.96464851
  H     18.29689835      7.72617942    -11.84883470
  O     19.71589602      7.88894454    -13.02334989
  H     13.29653672      7.88990096    -11.40496137
  H     17.29748015      8.75140733    -11.26808381
  O     15.15296809      8.89356807    -14.42424062
  H     14.10477014      6.77191745    -10.71648932
  H     15.56427662     10.56705071     -8.58957621
  O     11.09472784      9.71397512    -13.47737505
  H     14.85305951     11.71742900    -13.34268584
  H     16.23595700     11.74386788     -7.85886280
  O     11.90051570      6.98440654    -13.79119589
  H     14.88209610     10.18769373    -13.26032135
  H     16.50622894      8.20709883    -17.78733676
  O     18.80563542     10.66113825    -13.33848803
  H     17.55569832      5.87142126    -18.05866581
  H     16.52321798      9.65396776    -17.24938378
  O     17.46062207      7.80153616    -11.37162744
  H     16.63997812      6.10921356    -16.83220795
  H     12.13202050      9.70768467    -11.91070098
  O     16.34174037     11.15120626     -8.59747599
  H     16.30954835      7.18388848    -10.10865035
  H     13.55825483     10.22466245    -11.68061974
  O     16.04654757      9.05621347    -17.83554918
  H     15.95364512      6.29031348     -8.90080495
  H     15.31590113     13.26682275    -15.52055224
  O     12.87072682      9.66517113    -11.29086377
  H     18.33697569      8.85896299    -15.64622195
  H     15.84154506     11.82696940    -15.36919796
  O     15.09671420     12.41085064    -15.15954329
  H     18.34551275      7.42098307    -16.19180545
  H     13.26903449      7.81941631    -16.71457772
  O     13.55468101      8.74024643    -16.72317077
  H     14.54340872      5.59980377    -15.91008951
  H     14.36528681      8.81482255    -17.24965051
          69
 Energy    -248.95106095099442     
  O     13.67990319      5.20953586     -9.81046375
  H     13.97619534      5.95551832     -9.27599754
  H     12.59752959      8.93749767    -14.79406014
  O     15.63490030      8.62652669    -16.55603600
  H     14.46705135      4.87682545    -10.25878229
  H     16.38645227     10.11804459    -11.51190976
  O     18.21021061      8.78293888    -13.94857862
  H     16.16900194      9.41902921    -16.43505840
  H     17.38939265      9.28254296    -12.40129314
  O     14.97244145     11.39513382    -11.39472782
  H     14.80421032      8.80474959    -16.09159195
  H     13.98483600      8.32215817    -11.75288808
  O     11.09300726      8.09668895    -14.21862239
  H     17.69052054      8.04518773    -14.30285823
  H     15.42662531      8.42537292    -12.26595977
  O     18.59779711      3.69936701    -12.03270932
  H     19.04410509      8.41088559    -13.63324317
  H     12.22013528      5.70239540    -10.73534966
  O     12.02648646      5.36407650    -13.98360582
  H     14.91995366     11.47549049    -12.36518189
  H     11.60285458      5.70346911    -12.15661991
  O     16.98291622      7.09280594     -9.93411584
  H     15.05790168     12.28063065    -11.05148703
  H     21.35596485      7.54042770    -12.88336059
  O     13.34635594      9.32461521    -10.27254947
  H     11.33754281      7.16254138    -14.19984501
  H     20.11987729      6.99481389    -12.13015628
  O     19.04504143      5.20112549    -14.24906420
  H     10.96565261      8.35599705    -13.29878471
  H     15.18559156      5.10262294    -12.74996623
  O     14.94997586     11.47799962    -14.07638298
  H     18.74138373      4.16374361    -12.87711384
  H     14.59317162      6.46535288    -13.13479465
  O     13.51935786      9.22469207    -14.82657114
  H     18.98351874      2.83263866    -12.12479654
  H     17.99087202     11.26044843    -16.03747500
  O     16.89346655      9.29935400    -11.57115122
  H     11.80102617      4.62806139    -14.54706769
  H     17.71061301     10.14307133    -15.00718627
  O     14.55226183      8.08706120    -12.49531215
  H     12.99226956      5.34973825    -13.88082500
  H     16.37843182      7.24442662    -15.70125174
  O     11.49674902      6.06274940    -11.26849316
  H     17.02620866      7.89425605    -10.47661400
  H     16.06999288      6.20755113    -14.57995991
  O     20.41535265      7.40729560    -12.96208297
  H     16.25633562      7.23343694     -9.31552083
  H     18.70146329      6.45972176    -10.32992050
  O     14.72595985      5.56178003    -13.46539732
  H     12.44416873      9.25733593    -10.61635671
  H     19.26419286      5.22448816    -11.06282958
  O     17.28961860     10.81577741    -15.56783320
  H     13.77611931     10.10418221    -10.64780235
  H      9.97733939      8.79997015    -11.05780245
  O     16.78550772      6.65880060    -15.04480838
  H     18.27619140      5.62694568    -14.65293444
  H     11.05335175      7.70250766    -11.25784978
  O     19.49165895      6.11438167    -10.76570470
  H     19.61848532      5.91740847    -13.95281496
  H     16.41796678      5.55650413    -10.81387982
  O     10.87592150      8.65947968    -11.34468686
  H     14.33328144     10.81477566    -14.41835397
  H     16.91390398      4.24171983    -11.45858785
  O     16.11719198      4.72926723    -11.21686008
  H     15.75365611     11.38454539    -14.60115306
  H     14.13219584      8.24759089     -9.08344281
  O     14.59618946      7.61382025     -8.51105418
  H     13.93044083      8.83452462    -14.04198623
  H     14.37388470      7.84154016     -7.61163319
          69
 Energy    -248.95079015728365     
  O     17.33082734      8.19218182    -13.90255576
  H     16.61156887      8.82872695    -14.02991846
  H     12.56435228     11.82085055    -15.64097682
  O     16.99428864     11.32788959    -10.98215388
  H     18.00197029      8.64955387    -13.38160037
  H     15.37578574     10.86562807    -14.40494971
  O     15.64685779     12.55593337    -15.03812870
  H     16.06069136     11.11238483    -11.13014186
  H     14.93613068     10.13704515    -13.10985390
  O     15.66526589      7.83691731     -8.97488320
  H     17.21329107     10.96259493    -10.11566997
  H     11.88205660      9.55003823    -12.94385951
  O     15.83830846      6.36739431    -12.41895449
  H     16.20564943     12.90341849    -14.33091852
  H     12.35125540      8.47121845    -13.93991890
  O     14.40044967     10.57120239    -11.43101904
  H     16.23078540     12.24722010    -15.74444803
  H     19.22861714      8.62261228    -10.98600624
  O     15.98878045      8.95343137    -17.20792947
  H     16.20862817      7.09369443     -9.26522054
  H     18.66442085      8.71779657     -9.56044872
  O     17.45801156      5.92996438    -10.15986959
  H     14.91241590      7.85934219     -9.57949622
  H     15.58126937      6.03756134    -15.51474012
  O     17.36330486     11.28208543    -16.84533520
  H     16.37140515      6.06675879    -11.67261359
  H     14.99879124      5.94298523    -14.09559156
  O     17.30772115      6.68059005    -16.17401152
  H     16.39113614      6.99552777    -12.90625362
  H     17.26850826     12.63233011    -12.18957445
  O     19.08957663     11.54571216    -14.53062948
  H     13.56341953     10.96972008    -11.70395789
  H     17.61415080     14.09590385    -12.53939228
  O     12.82002877     12.41670305    -14.92206078
  H     14.22320142      9.64250513    -11.21851784
  H     18.27379266     10.30728319    -11.91073259
  O     15.25774132      9.99356402    -14.00858900
  H     15.10749161      8.81864629    -16.84621924
  H     19.17975904     10.36934646    -13.16253680
  O     12.00278639      8.59805669    -13.05138910
  H     16.47578433      8.14244761    -17.01078693
  H     16.73549747      9.18901055     -8.71036772
  O     19.08253085      8.10814517    -10.18115841
  H     17.90472016      5.18494185     -9.76708467
  H     17.48479915     10.09036942     -7.70077820
  O     14.74928143      6.00627653    -15.02688174
  H     18.10560575      6.65647042    -10.20269761
  H     13.88224478      7.52002764    -15.40233615
  O     17.39644579     13.25155488    -12.92705148
  H     17.66287323     11.56963499    -17.70441835
  H     14.14327363      8.99569901    -14.96606785
  O     18.95631967      9.82234203    -12.39500920
  H     16.88111332     10.44917905    -16.98722914
  H     13.11609213      8.01314359    -11.74331394
  O     17.42575083      9.87229581     -8.62702921
  H     17.42941255      7.19769800    -15.35786728
  H     14.50294297      7.32340990    -11.61126773
  O     13.58755818      8.43415223    -15.52978210
  H     18.11694308      6.19792167    -16.31939091
  H     11.24228900     11.92903436    -12.25577781
  O     13.86846728      7.88717917    -11.14672216
  H     18.60823365     12.23485566    -14.05581591
  H     12.27390643     11.83135987    -13.40549696
  O     12.00349453     11.43967721    -12.55506308
  H     18.58606884     11.38077984    -15.33650340
  H     11.57938373     10.15039935    -17.46132865
  O     12.19002525     10.45969848    -16.79689727
  H     13.76053345     12.60006931    -15.03484843
  H     12.59993928      9.66581121    -16.41998566
          69
 Energy    -248.95029986915830     
  O     -1.06733662     -5.11693289     -0.24228190
  H     -0.16019260     -5.25005075     -0.54517580
  H     -3.97817059     -3.06920126     -1.74286190
  O      0.79016262     -0.92205207      2.25598475
  H     -1.03651403     -4.43384661      0.43860611
  H      0.69477432     -2.25839289     -1.53151538
  O     -3.75254221     -1.85428326      1.28002345
  H      1.01437840     -1.12045982      3.16179258
  H      1.67470469     -3.45511684     -1.33223549
  O      3.55214946      0.16574350     -4.48310608
  H      0.14386799     -1.59278854      1.97597713
  H      3.00400717      2.64890608     -2.06890208
  O      1.53997831     -5.30697121     -1.36747650
  H     -4.12311570     -2.12908654      0.43303145
  H      2.72028317      4.17234246     -2.04090710
  O     -1.10756025     -2.63940653      1.26499168
  H     -3.72405412     -0.88965120      1.24010054
  H      3.59187554      0.63538132     -1.15164437
  O      2.40331215     -0.34803118     -0.03350560
  H      2.77626950      0.74810662     -4.57290344
  H      3.92859430      0.73012996     -2.66519905
  O      1.20608107     -4.92152561     -4.02630338
  H      4.15782405      0.40861465     -5.17911719
  H     -0.31685821      0.56705257      1.74324189
  O     -1.02989816     -1.90331216     -1.40117800
  H      2.20440950     -5.96966926     -1.19897231
  H     -0.40552007      1.44643344      0.48017910
  O     -3.47894764      0.95844757      0.82467818
  H      1.42016310     -5.26734034     -2.33401329
  H      1.07416055      2.24166896     -1.39526970
  O      2.25289789     -2.29683596     -4.18947218
  H     -0.99432958     -2.35349337      0.34609439
  H      1.20556482      0.83530495     -0.75745513
  O     -4.62529876     -2.40720863     -1.44397111
  H     -2.03699885     -2.45124967      1.46240195
  H     -0.63129273     -0.85909023     -4.28933179
  O      1.63239783     -2.50563463     -1.49836474
  H      2.24142931     -1.15356074     -0.54866839
  H      0.51723947     -1.81982842     -4.66838984
  O      2.32543962      3.32818161     -2.23910791
  H      1.99476754     -0.49775959      0.82724675
  H     -1.81055112      0.62811691     -2.99856407
  O      3.97288761      1.20999796     -1.82855474
  H      0.29450022     -4.78669151     -4.31201569
  H     -0.38267578      0.96176047     -2.54269649
  O     -0.85501800      1.23969192      1.31162170
  H      1.67416747     -4.10375547     -4.24416835
  H     -3.26695872      0.42170162     -0.94629746
  O      0.56417265      1.48920062     -1.06993957
  H     -1.59347394     -1.13221671     -1.52940308
  H     -3.72390103     -0.77870302     -1.79817330
  O     -0.43138169     -1.66821343     -4.77430384
  H     -1.52243253     -2.65997109     -1.74707232
  H     -1.82496398     -4.35584572     -5.60441542
  O     -0.91074499      0.74881245     -3.32676662
  H     -2.54221726      1.08926509      1.05978852
  H     -1.15034267     -3.22462371     -4.78944852
  O     -3.12790289     -0.01858985     -1.79537507
  H     -3.96072127      1.69333847      1.19378818
  H      1.65715644      2.50220342     -3.85101594
  O     -1.45515058     -4.15096016     -4.74979919
  H      2.78659306     -1.51144575     -4.35879748
  H      0.54594761      1.52807147     -4.30105092
  O      1.42448324      1.85647128     -4.53035197
  H      2.10721184     -2.32613292     -3.23172158
  H     -2.13045776     -4.59336260     -1.56587100
  O     -2.61894271     -4.07142900     -2.22194909
  H     -5.48590259     -2.73252478     -1.69507594
  H     -2.24981754     -4.22776542     -3.10033732
          69
 Energy    -248.95018843235914     
  O     11.09118346     11.31065183    -15.95979099
  H     11.21207949     11.58799723    -15.04219580
  H     17.30096661      9.62300695    -15.89718129
  O     14.44650348     11.81014460    -14.70378665
  H     11.78223030     10.65329830    -16.12508198
  H     15.46507410     16.61258120     -8.95962261
  O     16.57731368     10.76120871    -13.14268788
  H     14.10876875     11.09350114    -15.26092606
  H     15.58425419     16.74830881    -10.49721113
  O     12.01668294     12.50711242    -13.57097876
  H     15.13981529     11.44415481    -14.14086423
  H     16.41050265     14.00870616    -15.92862398
  O     14.63423454     10.28160717    -18.72762630
  H     16.98634247     10.17237389    -13.79051958
  H     15.41801060     12.82714980    -15.81980575
  O     11.53497888     13.65489370    -17.21115632
  H     16.01202919     10.21663124    -12.57815757
  H     13.44046005     15.37136276    -13.95362481
  O     14.85093542     13.90006350    -11.24010318
  H     11.82580877     13.41475738    -13.82982604
  H     14.29741658     14.88582956    -12.73529836
  O     11.82096542     15.06613345    -14.82618979
  H     12.89649418     12.30839632    -13.93319928
  H     17.15706546     12.39851333    -12.70376530
  O     15.45884339     17.61388781    -12.02664015
  H     14.51659127     10.00039298    -19.63056775
  H     17.18764736     13.85466134    -13.27476307
  O     16.79632588     15.17106337    -14.55218029
  H     14.39276885     11.22552588    -18.69042812
  H     13.79188481      9.07116980    -15.72140267
  O     18.10201586     17.19587002    -13.07118533
  H     11.34157433     12.78427172    -16.81624478
  H     13.80308057      9.78169348    -17.12527903
  O     17.43188552      9.02424621    -15.13925756
  H     10.89228705     13.79156210    -17.90292195
  H     14.61307783      8.68769469    -11.05928569
  O     15.71120506     16.13790871     -9.74866065
  H     15.04652694     14.59404801    -10.59835823
  H     14.11219475     10.04042939    -11.61221794
  O     16.01051026     13.29031191    -16.43264345
  H     15.70074746     13.63918002    -11.62473949
  H     16.80783480     11.66291029    -16.94040154
  O     14.26366602     15.51094655    -13.47349654
  H     11.11388597     15.70672739    -14.79187077
  H     16.26295397     10.49318189    -17.77854554
  O     17.28384457     13.32791605    -12.46964648
  H     11.76728307     14.63877925    -15.69569161
  H     14.63493985      8.45453430    -13.61071643
  O     13.36858824      9.75288118    -16.26451224
  H     16.33629054     17.64803559    -12.42776073
  H     15.68619505      8.32821262    -14.73421658
  O     14.64462796      9.25292556    -11.82654409
  H     14.93972019     17.01641883    -12.58261755
  H     13.24047589     13.21512148    -17.99672727
  O     16.96570551     10.73605290    -17.16350522
  H     17.31774835     15.90409423    -14.20413950
  H     14.77434585     13.19467361    -17.79666298
  O     14.75766568      8.16718535    -14.52358900
  H     15.88355571     15.31923364    -14.25988603
  H     18.05204241     14.63392215    -11.38391517
  O     14.06440962     12.90675320    -18.38865408
  H     18.25219672     16.62034163    -12.29937651
  H     17.48757757     15.67243161    -10.39369722
  O     18.24541005     15.48234206    -10.95987216
  H     18.87965767     17.73870587    -13.16631594
  H     13.84216441     12.33548346    -11.13997946
  O     13.31161263     11.54293345    -11.29635626
  H     18.23283147      8.53621152    -15.30816569
  H     12.67283983     11.80295128    -11.97312875
          69
 Energy    -248.94984811895125     
  O     17.07755239     10.82746577    -14.89542639
  H     17.47960837     10.52887097    -14.06841481
  H     16.46068832     12.38093396    -10.81206618
  O     15.30461910      6.27032224    -11.43215678
  H     16.46437264     11.52947107    -14.64871491
  H     15.14023981      9.23016957    -10.79304077
  O     11.58538281      8.89772494    -12.68828020
  H     14.35788525      6.37282188    -11.25964844
  H     15.42170490      8.05848403    -11.75646652
  O     13.47670408     11.95503798     -9.55237893
  H     15.38240941      5.71460768    -12.21649617
  H     16.67899084      9.44684335    -15.86885244
  O     19.11770560      7.32838703    -12.67105379
  H     12.30779120      9.48143917    -12.96809653
  H     16.84321609      8.72692270    -17.22670455
  O     13.77930138     10.32623351    -13.49873582
  H     11.32360121      8.40425015    -13.47432272
  H     12.13448160      5.91244371    -14.16155056
  O     17.32884623      9.34931282     -8.64039206
  H     12.73494127     11.39866769     -9.84992890
  H     12.46998018      5.61997511    -12.68694233
  O     15.23528893      4.79546014    -13.85475212
  H     13.10672563     12.60462218     -8.95943279
  H     16.54964986      6.02117814    -14.38006878
  O     14.67022310      9.47435911     -8.99959654
  H     18.46810304      7.04174325    -13.33947976
  H     16.97019851      7.29181795    -15.16381172
  O     17.73742506      7.04246041    -10.15647727
  H     19.95608670      6.95218431    -12.92334884
  H     11.63085670      9.44703095     -9.59515458
  O     12.44946924      7.95676415     -8.63689425
  H     14.38256563      9.87812222    -12.88572514
  H     11.36442705      9.82019597    -11.06356821
  O     15.65474636     12.72639790    -11.21362805
  H     14.15214701     11.19652523    -13.67554556
  H     12.26317733      7.49875862    -11.68577650
  O     15.38608561      9.02313501    -11.70341035
  H     17.70062008     10.09203204     -9.12854520
  H     12.45015754      7.00678662    -10.23574255
  O     16.45831106      8.63427584    -16.35914006
  H     17.55490433      8.54195200     -9.12839512
  H     10.79892799      7.37941513    -15.82322535
  O     12.58361320      5.28177733    -13.58472734
  H     14.27527443      4.95651998    -13.84612306
  H     12.23093319      7.78756744    -15.39710754
  O     17.26849743      6.65188196    -14.50610267
  H     15.34999595      3.85264294    -13.94370761
  H     18.94445767     12.03497635    -10.28547891
  O     11.48993188     10.19862784    -10.18366934
  H     15.60592777      9.44629619     -8.74440365
  H     18.15741611     10.98552277    -11.10544620
  O     12.56535087      6.74595191    -11.15748790
  H     14.38191753     10.39341767     -9.05407934
  H     13.74284733      9.27789742    -15.00024030
  O     11.40374419      7.37370568    -15.08675999
  H     18.29543029      7.07648285    -10.94196282
  H     14.59631020      8.53645583    -16.03910469
  O     18.11427010     11.56654062    -10.32587551
  H     16.89829596      6.67175733    -10.45891782
  H     14.96479299     13.59706668    -14.15374751
  O     13.69256276      8.63518982    -15.72179278
  H     13.29670676      8.43236209     -8.70944995
  H     15.39428995     12.77419466    -12.91491665
  O     15.19869890     12.71838641    -13.86829549
  H     12.37283836      7.66653651     -7.73211189
  H     18.46314993      9.03128304    -12.50445065
  O     17.93582831      9.83518832    -12.41681491
  H     14.91728269     12.47388450    -10.64477714
  H     17.04254194      9.55406724    -12.16328196
          69
 Energy    -248.94935610166948     
  O     12.28978001     12.40585137    -13.30558403
  H     11.84846880     13.24764744    -13.22528400
  H     18.77940669     12.64355481    -16.73043886
  O     19.04936486      9.44524383    -12.18493962
  H     13.17083190     12.58349761    -13.67680972
  H     14.56181062      9.72188865    -17.33514468
  O     15.46810447     10.14791099    -11.23202807
  H     18.86807621      9.55019487    -13.12945147
  H     13.35811962     10.48413721    -16.69199515
  O     11.94757935     10.46346083    -15.45835129
  H     18.71119033     10.24022519    -11.75761112
  H     16.54081160      9.91306517    -14.25993156
  O     14.13674856      7.85924443    -14.77123031
  H     15.65726373      9.22437599    -11.00765751
  H     15.60298970     10.03135806    -13.01674622
  O     14.67903952      5.95510325    -12.90876892
  H     16.24891213     10.68260588    -11.04674697
  H     15.07519842     11.94976935    -17.23366770
  O     18.46410909      6.97421408    -11.29957951
  H     11.67890242      9.68319636    -14.95924089
  H     15.29855538     13.36299532    -17.82685383
  O     14.77029588     12.60253472    -14.43882165
  H     11.95953960     11.17582889    -14.80953267
  H     12.76550997      8.61343835    -10.47018351
  O     17.95831867      7.30129978    -16.12050112
  H     13.23632040      8.02018871    -14.46257155
  H     13.91499618      7.64212708    -10.12108187
  O     15.74163478      7.44404747    -10.79171464
  H     14.64677692      8.65568495    -14.55954630
  H     18.29587846     10.52406580    -15.40828191
  O     17.37162083      6.03695038    -13.78536182
  H     14.54290279      6.59791601    -13.62408957
  H     18.21984480      8.95163869    -15.39087895
  O     18.13852809     12.23222460    -16.15516297
  H     13.79606909      5.72543317    -12.59939675
  H     17.81177775     12.84484782    -14.28689340
  O     14.13486778     10.58605578    -17.25779109
  H     19.20918126      6.60881815    -10.83080892
  H     16.43281147     13.05422580    -13.66406335
  O     15.62360337     10.03510257    -13.98329485
  H     18.72454933      7.86584070    -11.59500522
  H     18.10108409     12.36763517    -10.45491264
  O     15.59711214     12.77214199    -17.14175090
  H     15.00335630     11.66454519    -14.33574732
  H     17.66957692     12.26002784    -11.93645385
  O     12.95384026      7.73400176    -10.11752795
  H     14.93439245     12.81531948    -15.36483477
  H     12.47648176     10.97472786    -12.09092668
  O     18.25860992      9.74553017    -14.83981479
  H     18.51621829      6.72179121    -16.63274173
  H     13.67395279     10.24077614    -11.44931539
  O     17.37689955     13.06749947    -13.45694050
  H     17.73133305      6.81681310    -15.30612321
  H     16.27878059      7.83349446    -16.98446569
  O     17.77761493     11.75551291    -11.11054240
  H     16.68594266      7.24472796    -10.80099675
  H     14.84575534      7.85379475    -16.45398238
  O     12.72288060     10.16978631    -11.61879911
  H     15.36032025      6.93623743    -11.52335186
  H     11.62951918      7.48922910    -13.08371146
  O     15.38359054      8.09445786    -17.22313834
  H     17.81754336      6.29620785    -12.97034327
  H     12.03414545      8.96279844    -12.85378925
  O     11.70643271      8.34407935    -13.52343209
  H     16.46561365      5.82293439    -13.52955554
  H     11.36473893      5.33859129    -11.57039690
  O     11.98447730      5.96094332    -11.94115635
  H     17.26560310     12.40578215    -16.54326516
  H     12.26883336      6.54229764    -11.21279020
          69
 Energy    -248.94885795605393     
  O     -2.43027700     10.00084694     -8.99545201
  H     -3.36769853      9.80764036     -9.15786576
  H     -2.75054304      7.05542797    -14.35850451
  O     -6.56707663      7.60560428    -12.35737899
  H     -2.27970083      9.75723271     -8.07324570
  H     -2.71418974      5.16751956    -12.58212396
  O     -5.16970615      9.65505584     -9.25355650
  H     -6.40459108      6.84938944    -12.93281404
  H     -4.21750961      4.89623185    -12.76902147
  O     -7.39641568     12.42337247    -11.93586068
  H     -5.77652350      8.16306238    -12.42845160
  H     -0.43687722      6.36989355    -13.18980131
  O     -5.14338569     10.41821964     -6.54898708
  H     -5.30751205     10.36057359     -9.89666121
  H     -1.53667487      7.08129245    -12.37143705
  O     -2.91461131     12.65167776     -9.69153058
  H     -5.29549720     10.00621600     -8.36145608
  H     -2.94847284      8.24600904     -6.56518150
  O     -7.49379495      8.95550916     -6.67442751
  H     -7.70903565     11.49999740    -11.88455499
  H     -2.04870867      9.01454313     -5.56673693
  O     -5.52538411      5.57404227    -14.03385750
  H     -7.90657503     12.85255730    -12.61610524
  H     -6.48074261      6.53962751     -8.04135333
  O     -6.17785299      7.15857654     -9.66887255
  H     -5.05036214     11.35401588     -6.78986566
  H     -6.93271291      5.47812401     -7.01066884
  O     -8.13589085      9.85926510    -11.56669380
  H     -4.26736662     10.06504783     -6.35969934
  H     -4.29039675     12.94771549     -8.32357303
  O     -3.65810894      6.75373414     -7.05855156
  H     -2.61579266     11.76475621     -9.43107407
  H     -5.82629753     12.83843642     -8.14608526
  O     -3.59262833      7.36913759    -14.71102586
  H     -2.13253308     13.19028057     -9.78293843
  H     -4.23763753     12.08424174    -10.92635656
  O     -3.47049101      4.71848951    -12.18483940
  H     -6.71250938      9.48920184     -6.47014767
  H     -5.64632299     11.97262014    -11.62137080
  O     -1.38112505      6.48853280    -13.12570943
  H     -7.20159683      8.03700399     -6.67635801
  H     -8.34618417      9.59263248     -8.04821207
  O     -2.58899155      9.12534868     -6.34403392
  H     -5.85802597      5.08206029    -14.77988754
  H     -9.71983422     10.07414180     -8.55409894
  O     -6.49268425      6.32054217     -7.09274953
  H     -4.85985287      6.19509953    -14.38167820
  H     -7.83982009     11.65996797     -8.90766694
  O     -4.98614248     12.88250947     -7.66189156
  H     -6.44028428      7.16841067    -10.59751551
  H     -7.41106475     12.61822812    -10.02660088
  O     -4.83418505     11.49699629    -11.40482936
  H     -5.85385572      8.05275578     -9.47311367
  H     -2.64671200      7.32416031    -10.50649878
  O     -8.80129937     10.00321824     -8.80343122
  H     -8.34817923      9.75256505    -10.62997406
  H     -2.03432051      8.73830661    -10.32980932
  O     -7.32241976     12.45575760     -9.08062214
  H     -7.72211095      9.04248112    -11.86809596
  H     -3.57685668      5.42413857    -10.53623150
  O     -2.16908160      8.03009625    -10.96995568
  H     -4.59452145      6.58646346     -6.89807965
  H     -4.53503843      6.36806062     -9.76045948
  O     -3.63174012      6.02176275     -9.77615823
  H     -3.48077316      6.40306618     -7.94145178
  H     -3.52986806      8.74366489    -12.03959295
  O     -4.22938619      9.09928046    -12.60266298
  H     -3.83965986      8.11323179    -14.14342699
  H     -4.41969198      9.99217973    -12.28433297
          69
 Energy    -248.94882105968961     
  O     14.90594134     10.55856418    -15.76426590
  H     15.29181245     10.33336151    -16.62466999
  H     19.44539742      5.19685519    -15.28125945
  O     14.06595399      4.38301023    -16.08358935
  H     14.17478217      9.95338505    -15.60809657
  H     19.02198017      8.02100108    -17.41923473
  O     18.10429884      6.94576435    -11.70225964
  H     14.83260459      3.93151119    -16.45945151
  H     17.81989612      8.05494243    -16.45245309
  O     19.89370119      6.48497608    -18.03447008
  H     14.17653488      4.38491365    -15.12501459
  H     15.81124126      7.04661146    -16.00987358
  O     17.34877767      5.38045350    -18.75059037
  H     18.94140439      7.11604041    -12.14837976
  H     16.50663330      7.50624860    -14.68716255
  O     13.85838800      7.29889421    -10.13516598
  H     17.44181542      7.48939964    -12.15697476
  H     13.02537591      8.20550814    -14.28492760
  O     14.27139706      4.62734362    -13.23728157
  H     20.70987583      6.39848099    -18.51913934
  H     11.90391667      8.90519490    -15.08510336
  O     16.19474206      8.31943810    -13.09862570
  H     20.07655160      6.19751425    -17.12116037
  H     14.03267896      6.02784057    -16.65531822
  O     17.72882897      4.52918320    -15.13673433
  H     16.76179981      6.09999231    -19.01228816
  H     13.62306180      7.51802499    -16.36994814
  O     19.16088897      9.75587610    -14.50919715
  H     18.21052546      5.76900748    -18.55814521
  H     21.18827028      7.90839125    -12.97506565
  O     16.42070369      3.31295343    -17.29081083
  H     13.60370439      7.62739179     -9.27725076
  H     19.92870359      8.42528623    -13.70686612
  O     20.22841758      5.73751831    -15.45475844
  H     14.68628818      6.80881884     -9.99987953
  H     17.35439145      5.32299073    -12.21553253
  O     18.43952301      8.62067732    -16.93960854
  H     15.20496728      4.59185479    -12.96685759
  H     17.24891720      4.35634428    -13.40395185
  O     16.64517315      7.04256334    -15.52397270
  H     13.81299697      3.95939488    -12.73206023
  H     16.24076232      5.06852588    -10.42544741
  O     12.81813333      8.63574560    -15.13131521
  H     16.28036255      9.27160949    -13.23804708
  H     16.96192289      6.39669069    -10.30098242
  O     14.18085050      6.95141847    -16.91466332
  H     15.26726841      8.09915195    -12.95106973
  H     14.73886020      7.26430878    -20.03721137
  O     20.33196775      7.63823012    -13.29746520
  H     17.36154254      3.96838900    -15.82939946
  H     14.87671091      7.21073363    -18.49759607
  O     16.89289715      4.52965355    -12.52021156
  H     17.35767226      5.41506401    -15.27966804
  H     13.77492083      6.40078957    -13.04967276
  O     16.22691922      5.88936592     -9.92623954
  H     18.99536210      9.46665531    -15.41811362
  H     13.55786939      7.39247299    -11.87852492
  O     15.36820923      7.35490189    -19.32585439
  H     18.37788048     10.24847866    -14.24068306
  H     16.53836700     11.84292189    -13.41781606
  O     13.58565305      7.32667206    -12.84526120
  H     16.74198337      4.03736280    -17.85951481
  H     16.03016006     10.89316001    -14.53073425
  O     16.64871428     10.96853939    -13.77985082
  H     16.53325020      2.50548925    -17.78445999
  H     15.89922730      9.08399970    -18.64729590
  O     16.19053975      9.81621677    -18.09310245
  H     20.29844227      6.35678396    -14.71899367
  H     17.05718949      9.54430457    -17.76003092
          69
 Energy    -248.94841056152831     
  O     16.05376551     10.31509416    -16.50238138
  H     15.10624108     10.19547133    -16.38289564
  H     18.65540434      5.03297129    -11.47465673
  O     15.71346047      4.88076356    -13.33224574
  H     16.41260107      9.66908055    -17.13128484
  H     20.60379029     10.60860334    -17.23617528
  O     17.33997745     13.39005319    -10.85601338
  H     16.55505903      5.05286233    -12.89392558
  H     19.30856651     10.94694187    -16.45844137
  O     19.67790080      8.71755284    -14.40236214
  H     15.80442237      5.21180961    -14.23692190
  H     16.61598726      9.21865711    -15.14870361
  O     17.10784446     10.13349628     -9.11778377
  H     16.53831412     12.94803558    -10.54852880
  H     17.83003444      8.52727813    -14.46703324
  O     15.30321311      8.36836509    -12.30351839
  H     18.07306819     12.94631310    -10.41112893
  H     12.61402073     10.38374731    -15.87824270
  O     17.26344977     12.01547612    -13.23890194
  H     19.85226199      9.25670069    -15.18547579
  H     13.36427380      9.13462142    -15.36258912
  O     19.35720124      6.00067630    -14.73463573
  H     19.67360003      9.29476365    -13.62717039
  H     16.81668201      8.17749621    -11.40700433
  O     13.51483547      6.23340538    -12.58504326
  H     16.34074542     10.57754753     -9.50020871
  H     18.24286996      8.79789980    -11.45563965
  O     18.23758069      5.87363242    -17.20930148
  H     17.24492546      9.32606314     -9.62851177
  H     14.14781279      6.95052857    -15.56399315
  O     15.86870338      6.25203306    -15.77547914
  H     14.64921129      7.66066365    -12.34212852
  H     13.24660271      7.00917641    -14.32191119
  O     18.20559369      5.57654014    -12.11794272
  H     15.82281851      8.35055178    -13.12581801
  H     18.55259551     11.09909421     -9.37758327
  O     19.88654607     10.21589442    -16.74646769
  H     16.36345258     11.66895827    -13.25971467
  H     19.89769265     11.73845052     -8.95403599
  O     16.86699112      8.52719645    -14.52150876
  H     17.31352238     12.63922092    -12.49982066
  H     19.38976395     10.72742259    -11.36476106
  O     13.42498073     10.10167865    -15.46295207
  H     19.63092443      6.92304025    -14.62255409
  H     18.46977889     10.83286612    -12.60153065
  O     17.71554717      8.09429187    -11.05160248
  H     18.98121962      5.74436740    -13.88575247
  H     14.80852079     11.53005866    -11.25618276
  O     13.38308962      7.40848919    -15.18904520
  H     12.91653818      5.72558951    -12.04493028
  H     14.20810612     12.00097617     -9.91722671
  O     19.30588313     11.63035175     -9.69340585
  H     14.26489238      5.64969335    -12.80531878
  H     17.90178493      7.70012869    -17.72528364
  O     19.12710197     10.26600498    -12.16983957
  H     18.66706804      5.20615103    -17.73698095
  H     18.51536618      9.10942878    -17.60466789
  O     15.02570725     11.73712987    -10.33368114
  H     18.67538740      5.86819987    -16.33870800
  H     14.83034418     10.02574808    -12.66716715
  O     17.72321860      8.63402788    -17.88522102
  H     16.53808332      5.97341340    -16.41022184
  H     14.17302234     10.81786288    -13.81261989
  O     14.63885908     10.92595501    -12.97618053
  H     16.24253273      7.03382280    -15.34040481
  H     17.93521094     12.19333257    -14.96272516
  O     18.11132210     12.04663842    -15.90084545
  H     18.08623628      6.44669747    -11.70480050
  H     17.32782690     11.57616571    -16.22292493
          69
 Energy    -248.94831004864432     
  O     14.73720189      9.79763883    -17.58547652
  H     14.23566193     10.15872341    -18.31221037
  H     14.52607174      3.35409810    -13.42041238
  O     15.15479364      6.62691988    -12.12496606
  H     14.26940994     10.06150041    -16.77224520
  H     20.13428834      8.04455268    -11.30105195
  O     18.65572058     10.59377184    -12.55431216
  H     15.55132330      7.04039487    -12.90752970
  H     19.11003109      8.94053871    -12.03071386
  O     20.72231419      7.72513643    -15.68642514
  H     14.91078184      5.74124309    -12.41403838
  H     18.18190479      8.55979203    -17.32996799
  O     12.96661856      6.15172822    -14.96185938
  H     17.96694767     10.43235429    -13.22055954
  H     19.37233780      7.63756704    -17.00192487
  O     16.68254038     11.91027783    -10.93305343
  H     18.20645798     11.12999752    -11.89106397
  H     17.15534210      7.18083985    -14.43138400
  O     13.57415002      8.90857184    -11.79371171
  H     21.66156936      7.67785151    -15.84145604
  H     15.80735312      7.37700255    -15.21542783
  O     16.63719828     10.26038853    -14.30450727
  H     20.51719305      8.65298962    -15.47156910
  H     13.69936081     10.92423896    -14.55674378
  O     17.01764806      4.45851838    -15.04433999
  H     13.54319562      6.43713463    -15.68462394
  H     12.79928465      9.73562276    -14.92379969
  O     15.47982300      9.78059015     -9.80563804
  H     13.45637293      5.46905374    -14.48935798
  H     17.79492287      7.61605910    -10.67050613
  O     18.80253750      6.44645935    -14.06778189
  H     16.28770312     11.15303038    -10.46131976
  H     16.36335883      7.06116281    -10.78247724
  O     14.68042104      4.27363013    -13.62011255
  H     16.69246807     12.63770250    -10.31651613
  H     10.89673902      8.31147687    -14.00377971
  O     19.31148011      8.02256837    -11.78483658
  H     14.09505175      8.09318017    -11.82319563
  H     12.21935945      7.56713059    -14.30101763
  O     18.55053349      7.68346409    -17.50361339
  H     12.86581847      8.77757943    -12.43624832
  H     19.21506200     10.45989589    -15.79819864
  O     16.29263213      7.61609119    -14.41607322
  H     15.89120468     10.68075679    -13.86145434
  H     19.62962256     10.54134298    -14.30494808
  O     13.36717691     10.41687619    -15.30607272
  H     16.46518284      9.30567297    -14.32115766
  H     17.57304886      6.29261169    -17.67871087
  O     16.98085221      7.48761975    -10.17179870
  H     16.99901242      4.72050399    -15.97264158
  H     17.14635451      5.07306845    -18.53397571
  O     11.84521081      8.40459573    -13.97285780
  H     17.72341802      4.97829496    -14.63830224
  H     15.19390501     11.69059267    -12.20770971
  O     19.93130254     10.27145151    -15.18000340
  H     16.04456361      8.99271701     -9.80739272
  H     14.22283372     10.50387969    -12.43128645
  O     16.96069922      5.53454816    -17.72089089
  H     14.68071157      9.52862439    -10.28142911
  H     17.21656186     10.30340061    -15.93907784
  O     14.56765590     11.31426111    -12.83758738
  H     19.48726703      6.78286944    -14.65998067
  H     16.65577149     10.18348740    -17.34274152
  O     17.49293943     10.21910921    -16.86621001
  H     18.95888855      6.87509149    -13.21580492
  H     14.84704007      7.97745841    -17.16356034
  O     14.86096955      7.09797522    -16.76523425
  H     15.51068788      4.31090259    -14.12665652
  H     15.50674462      6.55243677    -17.23250118
          69
 Ord_Energy   -248.948135    
 O   0.198347285      -1.69967544       2.96728134    
 H    1.09645295      -1.83168602       2.64069366    
 H  -0.401341200      -2.01578164       2.27580571    
 O    2.37684441       1.03310728       1.39758074    
 H    1.70938063       1.22710848       2.06661344    
 H    2.63273573      0.116511203       1.55154872    
 O   -3.75799036       1.22751427       1.18027830    
 H   -2.84084249       1.51669073       1.07386971    
 H   -3.96587801       1.31443965       2.12157559    
 O   0.142181620       1.10386467       3.19425273    
 H  -0.386534274       1.30431700       3.97559333    
 H   0.148842320      0.138510495       3.11544394    
 O    2.20877600     -0.148716331      -3.03462410    
 H    2.20117164      0.607563436      -2.41654420    
 H    2.91843152       6.83483994E-03  -3.65132594    
 O   -4.32153845      -1.84428334      -1.76505744    
 H   -3.54655457      -2.14776444      -2.26213002    
 H   -5.08781862      -2.10324025      -2.27331662    
 O   -4.08633184       1.08321726       3.90872860    
 H   -3.29082179       1.26860631       4.42244291    
 H   -4.23578072      0.134221002       3.99726510    
 O   -3.91423035       1.05491340      -1.63430715    
 H   -3.99477577       1.23446417     -0.688369572    
 H   -4.09029245      0.114000499      -1.73560846    
 O   -1.70633280       1.99735689      -3.02098608    
 H   -1.22792125       2.61306500      -2.45517683    
 H   -2.52656364       1.76523006      -2.55878186    
 O  -0.576854229     -0.386368364      -3.45054984    
 H   0.383785844     -0.299426109      -3.44480920    
 H  -0.967363894      0.504041970      -3.43881464    
 O  -0.436555535     -0.337043345     -0.616525471    
 H  -0.639025092     -0.263874352      -1.55640697    
 H   0.452728361     -0.709444046     -0.567418098    
 O   -2.08815575      -2.61238623      -3.27023530    
 H   -2.10003448      -3.06798959      -4.10867596    
 H   -1.55083179      -1.80962574      -3.39783716    
 O    2.72274733      -1.81489611       1.69548547    
 H    3.52109671      -2.31531763       1.84300387    
 H    2.49231195      -1.92316484      0.756136894    
 O   -1.69616532      -1.46896708       5.04492712    
 H  -0.997693896      -1.68318200       4.41174698    
 H   -2.53299069      -1.70191145       4.62403202    
 O    2.10435963       1.84292197      -1.25118744    
 H    2.24903750       1.61244714     -0.321421027    
 H    1.39038575       2.48957801      -1.26645052    
 O    1.89302647      -1.95080733     -0.889677882    
 H    2.11512089      -1.45769441      -1.68865705    
 H    1.22850001      -2.62114453      -1.11365008    
 O   -4.25119972      -1.81486917       3.78126478    
 H   -4.27813053      -1.79545009       2.81097436    
 H   -4.97734356      -2.36709285       4.06179476    
 O  -0.209971696       3.54759455      -1.11949146    
 H  -0.273564517       4.47632170     -0.911475956    
 H  -0.555018187       3.06387520     -0.349434853    
 O   -4.13937759      -1.50562954       1.04027319    
 H   -4.30053711      -1.72076440      0.114098959    
 H   -4.00691509     -0.544761240       1.08028769    
 O   -1.62178040       1.21986818       5.39353037    
 H   -1.51841545       1.47152495       6.30731106    
 H   -1.63642871      0.245128185       5.36935902    
 O  -0.237186432      -3.65927887      -1.28509581    
 H  -0.850178659      -3.41541028      -1.98755693    
 H  -0.700972080      -3.44998527     -0.462289661    
 O   -1.08269775       1.87604809      0.855769038    
 H  -0.678794980       1.72359061       1.72036755    
 H  -0.845660567       1.11183059      0.306887805    
 O   -1.49268508      -2.37475157      0.887826741    
 H   -1.17765093      -1.64073634      0.336542308    
 H   -2.43048620      -2.20338273       1.03022015    
          69
 Energy    -248.94760120449922     
  O     -3.45774947      3.36352799      3.88271293
  H     -3.24637182      3.01211271      4.75577783
  H     -2.21671244     -2.53818816      2.36040696
  O     -2.84064477      1.78197697      1.74402707
  H     -2.77449053      4.02107812      3.69719725
  H     -0.11646652     -5.02615809      4.29400537
  O     -2.38387295      2.40719831      6.37722024
  H     -3.22751985      2.28791399      2.47353118
  H     -0.77093354     -3.89421579      3.46652743
  O      2.21670429     -2.39175953      0.15544238
  H     -1.97951440      2.18769128      1.57277444
  H     -0.90169003     -0.61651558      2.16535510
  O      0.82744424      0.95281454     -2.04691866
  H     -2.62060894      2.64504567      7.26932097
  H      0.53396136     -1.21334791      2.05867201
  O     -1.10433903     -0.76399323     -0.86135240
  H     -1.56418772      2.89024204      6.16203168
  H     -1.70475078      0.85060319      5.64615578
  O     -2.52799210     -0.74325224      2.90330486
  H      2.22937311     -2.47438272      1.11935036
  H     -0.41387554      0.60658937      4.82460248
  O     -3.23634112      1.07614838     -0.87215144
  H      1.38062314     -2.78422591     -0.11932913
  H      2.15405735     -1.85268298      3.63019903
  O     -1.02462929      2.92350645     -1.40894746
  H      1.63839759      0.75612544     -1.56512359
  H      1.19201003     -3.02328698      3.30783749
  O      3.06586557      0.16216069     -0.40307934
  H      0.19940283      0.26832505     -1.78127276
  H     -0.71921778     -3.97247692     -1.10049628
  O      0.23130582     -2.03482616      6.09135298
  H     -0.70790440     -0.60947112      0.01071934
  H     -0.77565689     -2.48191354     -0.69620579
  O     -1.81887601     -3.40261809      2.19132369
  H     -1.88896039     -0.20581503     -0.92405082
  H      0.47043789      2.92053556      5.17398356
  O     -0.09001749     -4.08639218      4.13629400
  H     -2.78564873      0.08512016      2.47577917
  H     -0.37960958      4.14276860      4.74629172
  O     -0.06170534     -0.54548709      1.69483467
  H     -2.17838957     -0.49781109      3.77317489
  H      1.00210173      0.81668228      1.67791093
  O     -1.21728158      0.17880352      5.15273244
  H     -4.14535791      1.11600650     -1.15796013
  H      2.30915236      1.23324979      0.99595811
  O      1.74698443     -2.34208942      2.90536922
  H     -3.22453561      1.34578937      0.06199637
  H      1.77520206     -1.36650124      5.65962891
  O     -0.49084389     -3.36440109     -0.40131042
  H     -0.31816563      2.33791870     -1.72299022
  H      3.29122493     -1.10506379      5.85357644
  O     -0.12185786      3.60755388      5.50797834
  H     -1.83084311      2.39738626     -1.42741160
  H      1.49291995      1.51906766      3.49339363
  O      1.67775216      1.51624788      1.66638214
  H      3.94953085      0.11528414     -0.75923812
  H      1.80338534      0.67425757      4.75410953
  O      2.56461824     -0.96301158      5.25312573
  H      2.78399506     -0.75551263     -0.24412488
  H     -0.88252294      4.39048318      2.47342982
  O      1.24773806      1.38917976      4.41934751
  H     -0.39222275     -1.32912244      5.86994454
  H     -1.08130249      5.85476009      2.92498391
  O     -1.15136266      4.95104308      3.22164696
  H      0.01987490     -2.78048860      5.51572011
  H      0.35339138      2.73352939      1.36047972
  O     -0.46925541      3.22115980      1.22912813
  H     -1.42202861     -3.37553196      1.31264832
  H     -0.64184490      3.24304946      0.27509265
          69
 Energy    -248.94737761432890     
  O     -1.99656177      3.28759267     -3.71897057
  H     -2.58791048      3.76313320     -3.11026045
  H     -4.22249661      0.14321615      2.40170985
  O     -5.39774433      2.80522500     -0.47113030
  H     -2.01125719      3.76763049     -4.54338176
  H     -0.59457865      0.84769433      2.26249640
  O     -3.15826271     -0.93107743      1.37940312
  H     -6.07076123      2.40280504      0.09256765
  H      0.44394392      1.94940086      2.53572763
  O     -0.10872042     -0.42724776     -1.31078433
  H     -4.65240220      2.18105144     -0.47670353
  H     -2.00019330      3.65223512      0.56540805
  O     -3.32016461      0.81339920     -3.20103191
  H     -3.49145955     -1.61097155      0.77850471
  H     -0.91413219      2.67423396      1.10362501
  O     -4.28136341     -2.54807246     -0.58935859
  H     -2.20239551     -1.04474256      1.47004550
  H      2.54291711     -0.91593135      0.96783377
  O     -2.26182178     -1.67175871     -2.45091087
  H     -0.13347051      0.48177652     -1.63126556
  H      2.98889322     -1.60951654      2.27848828
  O      0.02852001      2.35659433     -1.96404467
  H     -0.81501664     -0.92252707     -1.75141099
  H      2.32396260      2.11636118      1.06883364
  O     -0.40657458     -0.78009226      1.41111996
  H     -2.86119946      1.58532821     -3.54893528
  H      2.33438616      0.94978082      2.07239352
  O      2.62427812     -0.56031585     -0.73865155
  H     -3.24986611      0.87766069     -2.23448774
  H     -5.19261720      0.95960558     -3.10723226
  O     -6.93628831      1.23641298      1.24682896
  H     -5.04663026     -1.94833468     -0.66464551
  H     -6.03723669      1.81790408     -2.15655205
  O     -4.76793918      0.83895768      2.79606377
  H     -4.62533120     -3.43687538     -0.61706712
  H     -2.75896109      3.16846085      4.43079874
  O     -0.50213178      1.74865684      2.60154847
  H     -2.94342275     -2.03045383     -1.87055016
  H     -2.00052718      2.45575986      3.29145659
  O     -1.26469265      3.08281665      0.30110228
  H     -2.66846649     -0.92667605     -2.91397106
  H     -6.59974759     -0.20979315     -0.01953156
  O      2.36738563     -0.97956030      1.92464916
  H     -0.38650816      2.69023400     -1.15174467
  H     -6.31786033     -0.24223221     -1.53181375
  O      2.14956123      1.89461555      1.99135800
  H     -0.53425200      2.65487483     -2.68710515
  H     -2.47876428      1.78597689     -0.20235934
  O     -6.09430683      1.08662748     -2.78020674
  H     -0.33416457     -0.65167268      0.45219438
  H     -3.19388146      0.44638156      0.15967470
  O     -2.85495301      2.84830346      3.53663432
  H      0.48319216     -0.98425226      1.72241828
  H     -3.39862281      5.03289104     -1.16751875
  O     -6.31601635     -0.78987582     -0.73360794
  H      2.79404557      0.38390888     -0.84349239
  H     -4.41592755      3.98741362     -1.59352108
  O     -3.18597028      1.18346392     -0.46286659
  H      1.71912199     -0.68692213     -1.05811815
  H     -3.42218521      3.92801782      2.05502676
  O     -3.68627503      4.52623833     -1.92913832
  H     -7.73403728      1.25695154      1.76796691
  H     -4.29336250      3.88732718      0.77937545
  O     -3.54952576      4.34338305      1.19134395
  H     -6.19635432      1.09066478      1.86468891
  H      1.72188087      2.36258429     -1.32424406
  O      2.57146638      2.30380372     -0.85791731
  H     -4.15785383      1.51305530      3.11402295
  H      3.14777553      2.94853807     -1.26161789
          69
 Energy    -248.94655237471230     
  O     16.36110820     10.24605504    -16.80622533
  H     16.47674185      9.58651332    -16.10459555
  H     16.97327360      6.81778031    -11.25991926
  O     15.03168002      5.26314791    -13.34983006
  H     15.45377214     10.56396166    -16.73763961
  H     21.30212664     10.06174661    -16.31970077
  O     19.36023757      8.54202197    -13.77239612
  H     15.69730372      5.41339842    -12.66922381
  H     19.82791159     10.42180743    -16.01582036
  O     14.88530948      6.54201263    -17.99550461
  H     15.49663954      5.31662249    -14.19795891
  H     17.64519563      8.40804026    -14.45007830
  O     16.90919897      9.62417539     -8.46412511
  H     19.84849058      8.93381119    -14.50799992
  H     16.61059703      7.45751977    -15.12550610
  O     14.76356455      8.90552133    -12.95216317
  H     19.21424787      9.22879268    -13.10718547
  H     12.98999018     11.26191807    -16.89692967
  O     17.31948758     12.43760250    -13.40714332
  H     15.59289249      7.14223977    -18.29899653
  H     13.47671329      9.91589068    -16.31067390
  O     19.19005433      5.82309624    -13.38471368
  H     14.55573042      6.09068724    -18.76725236
  H     15.90004331      8.69821641    -11.60127616
  O     12.94589937      6.91734289    -13.74308624
  H     16.05523476      9.83928009     -8.09618358
  H     17.35547983      9.17796960    -11.35602424
  O     19.03797477      5.12981282    -15.98294993
  H     16.73169520      9.18875017     -9.31312746
  H     13.78677122      7.61181694    -16.86698663
  O     16.32459490      5.74922975    -15.74611323
  H     14.03453069      8.30091133    -13.13013264
  H     13.13702213      7.70613507    -15.46133441
  O     17.08067426      5.86922197    -11.43665992
  H     15.44382863      8.72264241    -13.62151309
  H     18.34423207     10.64556306     -8.91150429
  O     20.46959968      9.68850351    -16.04366576
  H     17.27365981     13.35462488    -13.14848237
  H     19.79931530     11.09039022     -8.68979765
  O     16.74134982      8.35227194    -14.78521761
  H     16.40367958     12.14897841    -13.56986221
  H     18.14857037     11.14940398    -12.40110307
  O     13.65967653     10.87281741    -16.34140773
  H     18.49352391      5.73440840    -12.72529529
  H     18.84880700     10.73847210    -11.06051173
  O     16.67170469      8.57617655    -11.02916384
  H     19.36070171      6.77427886    -13.45906909
  H     19.74494103      8.21501760    -17.06677743
  O     13.28566390      8.19185529    -16.28121378
  H     12.13646124      6.53356274    -13.41796719
  H     19.31864041      6.72633799    -17.01586147
  O     19.08398757     11.12397431     -9.32006856
  H     13.65265156      6.26556515    -13.58114168
  H     14.69532829     10.69180660    -13.39132712
  O     18.56523386     10.41708675    -11.92805343
  H     19.13987395      5.31821896    -15.03202976
  H     14.36234038     11.46222059    -14.67324784
  O     19.32186770      7.51270223    -17.57387525
  H     19.53992085      4.33983617    -16.16349788
  H     18.23534164     11.95160842    -15.02587118
  O     14.79048448     11.55631225    -13.81409982
  H     17.22156692      5.45743348    -15.95322989
  H     17.80717827     11.22306848    -16.30966108
  O     18.57574308     11.59816736    -15.85490456
  H     15.84996809      5.90921898    -16.57193852
  H     17.75488667      7.92835304    -18.37315532
  O     16.86792892      8.20607379    -18.64563449
  H     17.19079595      5.44624380    -10.58797759
  H     16.68931511      9.01928334    -18.15527233
          69
 Energy    -248.94639376806580     
  O     11.50700120     10.55538686    -11.71815362
  H     11.92276152     10.95761412    -12.49012284
  H     16.13686522      5.25173134    -15.82153131
  O     13.80097809      7.02777503    -14.46802150
  H     11.09733947      9.73929966    -12.03105183
  H     18.71293670      5.08347878    -15.90325142
  O     17.77262874     11.63314308    -11.74768441
  H     13.62789103      6.81586473    -13.54201454
  H     17.94654314      6.41491663    -16.07844167
  O     17.62730661      7.79006555    -17.09729895
  H     14.22098036      6.28060679    -14.91771714
  H     15.76658219     11.15735194    -16.08604387
  O     11.88507897      8.83461931    -15.06980151
  H     17.97808233     11.03213720    -11.02066666
  H     15.12271101     12.37686227    -16.78142010
  O     16.05576912      8.15149878     -9.58267311
  H     16.84495235     11.46692712    -11.96853555
  H     16.60831557      7.84134557    -13.49606283
  O     13.24534547      6.93066853    -11.73667623
  H     17.58572710      8.67709410    -16.72024423
  H     15.22732443      8.05052733    -14.17085385
  O     15.25259322     10.72486402    -12.47014335
  H     16.77723163      7.63973881    -17.53142311
  H     19.37185127      9.20423063    -12.91470362
  O     15.05069464      7.19919825    -18.13402558
  H     11.24007851      8.59523303    -14.39692911
  H     19.06409918      8.81542188    -11.45508892
  O     15.69984501      5.70122449    -11.07075543
  H     12.59738385      8.18156323    -14.96022835
  H      9.99071488      7.39235016    -12.29209666
  O     17.21878199     10.20103194    -15.64749744
  H     15.21810327      8.60864663     -9.73630006
  H     11.52980300      7.46402970    -12.27841418
  O     15.19284453      5.28316922    -16.01566657
  H     15.96501690      7.28519671     -9.99458544
  H     20.05207623     11.45268688    -13.93606030
  O     18.01688299      5.61521403    -15.52621305
  H     13.98840801      6.37564386    -11.46901099
  H     18.74781226     11.25465890    -13.12635979
  O     14.91774545     11.57970680    -16.29852754
  H     13.41397347      7.80031309    -11.34194047
  H     18.30474649      7.06292198    -12.66206096
  O     16.02767155      8.50788266    -13.88059028
  H     14.48551376     11.00771262    -12.98476161
  H     17.80103127      6.06858812    -13.76562744
  O     19.30849901      8.45141628    -12.31649424
  H     15.59172560      9.93256732    -12.91351645
  H     17.52841996      9.06332389     -9.74667598
  O     10.73089575      7.91185257    -12.59777600
  H     14.48576464      7.93938778    -17.85123236
  H     18.76835959      9.63477668     -9.02493301
  O     19.26885520     10.91222593    -13.87610137
  H     14.82619443      7.02076626    -19.04377363
  H     13.97924379     10.10760516    -17.06340578
  O     17.60976495      6.42323352    -12.88767938
  H     16.38772520      5.90878781    -11.72653434
  H     12.80499014      9.17525972    -16.70193067
  O     18.35437927      9.56066626     -9.88073222
  H     15.91052824      4.83989588    -10.71843886
  H     14.37569842      9.88530865    -11.14445787
  O     13.52612163      9.29925685    -17.33148974
  H     16.77728948      9.56459619    -15.06142503
  H     12.90217497      9.83849203    -10.73332448
  O     13.75413617      9.41146449    -10.57156631
  H     17.98253802     10.52392550    -15.15293455
  H     13.64159614     11.49043114    -14.86242559
  O     13.07073456     11.20278686    -14.13915761
  H     15.10551789      5.84674713    -16.79707388
  H     12.63551566     10.39930617    -14.45911661
          69
 Energy    -248.94635990738766     
  O     17.28469783      9.18227407    -16.85464538
  H     17.08486524      8.52935695    -17.51930576
  H     18.87883040     11.85952542    -17.55535352
  O     17.45921119     15.12479566    -15.58536651
  H     17.58483684      9.98203939    -17.32416864
  H     19.65779421      9.75796937    -11.15805130
  O     21.74798504     10.27125327    -15.49020382
  H     18.38461731     15.21146431    -15.84086203
  H     20.77377644      9.34970324    -10.16785623
  O     19.71081914     12.73512559    -10.16683276
  H     17.40832862     15.34813479    -14.64745479
  H     17.50693863     17.51024572     -9.80913695
  O     15.87286412     10.87421432    -12.45966313
  H     21.98715941     10.61891467    -14.62108085
  H     18.56756661     16.38717824     -9.88105062
  O     21.76519033     11.41695872    -12.85068748
  H     20.96487691      9.72909961    -15.32905514
  H     21.01253761     13.53959446    -11.15094435
  O     18.26917436      9.26499876    -12.06728568
  H     19.98020802     11.80931967    -10.18123955
  H     22.07997378     14.65613826    -11.13975985
  O     20.30827193     12.42570433    -16.48722823
  H     18.92629867     12.80209176    -10.73380580
  H     18.51312694      9.16104097    -15.46267140
  O     20.39233629     15.62008541    -13.48625731
  H     15.02389122     10.60325632    -12.12106262
  H     19.06294094     10.27096791    -14.53019848
  O     19.67180448     15.30987313     -9.04604236
  H     15.80470222     10.85948229    -13.43177254
  H     20.68234581     15.58923184    -16.98314777
  O     15.74371586     10.87047610    -15.14409611
  H     21.97101300     12.29021195    -12.48988051
  H     20.37539989     14.17904712    -16.42592854
  O     18.04483754     11.54379235    -17.92702859
  H     21.43835706     10.88019061    -12.11647271
  H     20.56022274     17.11217031    -12.38439308
  O     20.46278044     10.07167061    -10.70726761
  H     17.44280074      9.75641803    -12.12789972
  H     19.70571484     17.65453948    -11.22648910
  O     18.04831596     17.01372634    -10.41679034
  H     18.54929309      9.09986983    -12.97888483
  H     17.65110309     16.11319811    -12.01443272
  O     21.71917907     13.94185426    -11.67902055
  H     20.96430763     11.72392977    -16.37995605
  H     18.64840701     15.55040665    -13.04587862
  O     19.11778196      9.32356372    -14.72829971
  H     19.80325670     12.40300465    -15.65728245
  H     21.71941057     16.81494447    -10.58770649
  O     20.28304878     15.13065090    -16.24836186
  H     20.49088734     15.44125005    -14.42861417
  H     22.96044608     16.67503355     -9.67300617
  O     20.59019506     17.69243505    -11.61017475
  H     20.88951635     14.95781838    -12.98759697
  H     20.14411068     11.85333242    -13.60239525
  O     17.70864357     15.56090620    -12.80364011
  H     20.57937188     15.58940062     -9.21669143
  H     18.69721439     12.35402957    -13.31670210
  O     22.23277743     16.18699471    -10.04801029
  H     19.63738570     14.37153676     -9.27553744
  H     16.51964967     13.88856730    -16.32765203
  O     19.28531603     12.03749870    -14.01030939
  H     15.78752741     11.69002292    -15.65264053
  H     15.31242458     13.59898271    -17.24692217
  O     16.02196328     13.17772411    -16.76867929
  H     16.17542687     10.19984899    -15.68630988
  H     16.89984670     12.35279016    -12.08772482
  O     17.65245591     12.93786936    -11.93575480
  H     17.36392445     12.15992540    -17.62748518
  H     17.46289981     13.83112023    -12.25255309
          69
 Energy    -248.94619866319101     
  O     11.02506538     11.69572926    -17.10562224
  H     10.39738425     12.28084803    -17.52169065
  H     18.39591630      9.78542832    -12.78479718
  O     15.76159233      7.45505652    -13.03604080
  H     10.55957172     11.26778753    -16.36547308
  H     18.44982191     10.74167130    -14.96472935
  O     15.50719348     12.03823584    -12.39421247
  H     15.14083544      6.89834440    -12.55533971
  H     17.79927159     10.42854756    -16.32223499
  O     16.05845451     12.93336579    -14.90368722
  H     15.21661273      7.95173156    -13.66750557
  H     13.79835328      9.65151991    -14.30689483
  O     10.42304507      7.60549481    -16.10057444
  H     15.78204661     12.45558524    -13.22659847
  H     13.19637813      8.22960942    -14.39923417
  O     11.83496069     10.28717529     -9.97088556
  H     16.05444679     11.25412102    -12.26201106
  H     10.10015355     10.25517058    -14.22497463
  O     13.43638971      6.21981345    -11.88089816
  H     15.32002584     12.82225970    -15.51193061
  H      9.85049840      9.34649468    -15.44197704
  O     13.26096296     11.27725894    -13.78815992
  H     16.77407364     12.37503242    -15.24397891
  H     15.14080563      8.94058200     -9.34932010
  O     17.93125205      7.58649481    -14.86565552
  H     10.99573260      8.06128487    -16.74406189
  H     16.23598969      9.28250147     -8.30908990
  O     13.67308737      8.10220052     -9.74612675
  H      9.84460200      7.03873322    -16.60385433
  H     11.21415219      7.37015059    -14.45842674
  O     17.35123052      8.78041760    -17.24843405
  H     12.62780614     10.85398443     -9.99052734
  H     11.43688229      8.30096171    -13.22839565
  O     19.10797423      9.76334793    -13.44576312
  H     11.29544417     10.59860149     -9.24861799
  H     16.51569385      8.86999208    -12.18352810
  O     18.01351130     11.15081781    -15.72146993
  H     13.21011538      5.30160190    -11.75279108
  H     16.69765568      9.62623434    -10.84280405
  O     13.97395587      8.75428124    -14.62491548
  H     12.77993299      6.58390910    -12.49804627
  H     14.81029124     11.05725020     -9.57372578
  O      9.79019303     10.26062299    -15.13962377
  H     13.37744963     11.64765353    -14.67336648
  H     14.58755844     11.97668463    -10.78337328
  O     15.91304381      9.51001132     -9.17656541
  H     14.00210694     11.58021713    -13.24592430
  H     15.55800153      9.25020416    -17.34973869
  O     11.69881349      7.45623800    -13.62706550
  H     18.47043497      8.24071049    -14.40250327
  H     14.42607276      9.14198009    -16.30551895
  O     16.92719349      9.64826214    -11.78031558
  H     17.22438884      7.35364575    -14.25097079
  H     11.85342374     10.51283923    -13.06590486
  O     14.17103446     11.66165158     -9.96949235
  H     13.55839255      7.44601113    -10.44277906
  H     11.23883750     10.08589434    -11.71429075
  O     14.63234780      9.47060335    -17.19440050
  H     12.95303383      8.73901363     -9.83602775
  H     12.82821433     12.05468175    -16.71917482
  O     11.13807871      9.98989500    -12.66835381
  H     17.53918492      8.27820763    -16.43602464
  H     14.13417065     11.22556088    -16.78022658
  O     13.74487051     12.03347481    -16.41601027
  H     17.93230268      8.43715194    -17.92234464
  H     11.60678776      9.97141687    -17.73215734
  O     11.92591591      9.06430987    -17.81530295
  H     19.91535527      9.98277451    -12.98791206
  H     12.88888667      9.11990221    -17.75600650
          69
 Energy    -248.94599076398757     
  O     10.04820608      7.20605849    -10.49443007
  H     10.92618444      7.60272323    -10.57468636
  H     13.89825867      4.15745082     -5.45917570
  O     12.51532814      8.45404826    -10.40154499
  H      9.43777537      7.93079091    -10.31916277
  H      8.84638527     10.55178041    -13.47122789
  O     12.75646683      6.66270687    -13.65446035
  H     13.15561857      7.77052717    -10.64570926
  H      9.90173251      9.54788205    -12.95325860
  O      9.65267445      9.79632054     -7.63919040
  H     12.46987589      8.48420276     -9.43751721
  H     10.86170965      5.40021916     -7.61463938
  O      6.69024581      5.90096625     -8.39940507
  H     12.26998291      5.83182215    -13.62955035
  H     11.89700929      5.44582162     -6.46017936
  O     14.42681112      3.84972287     -8.57202968
  H     13.39370380      6.60613329    -12.93023564
  H      9.51632362      4.34827674     -9.42584433
  O     14.14836492      6.35693561    -11.18246590
  H      9.27982188      9.80177990     -8.53803538
  H     10.24073119      5.70114319     -9.59480727
  O      7.76498062      4.01796789    -10.09879080
  H      9.40193435     10.62264352     -7.23392572
  H      7.74568070      6.77045965    -12.83615293
  O     16.05979240      6.13641834     -9.15031294
  H      7.38987225      6.36136099     -7.90137421
  H      7.78430726      8.30811660    -12.94001285
  O     11.54942487      9.07835876    -12.96192866
  H      5.93288233      5.85714918     -7.82038822
  H      9.42886597      6.70319475     -6.77684757
  O     12.56467454      4.09178939    -10.70802171
  H     15.08746633      4.50808983     -8.82264749
  H      8.89222442      8.09655356     -7.15371469
  O     13.57331040      4.72922688     -6.14927884
  H     13.82847374      3.76969287     -9.32545351
  H     11.76841978      7.51020814     -7.36092454
  O      8.97040043      9.82266726    -12.86958997
  H     13.61741954      5.56861127    -10.99971181
  H     11.35159690      8.97788656     -7.58640556
  O     11.11028191      5.88080338     -6.81053028
  H     14.90880992      6.32165099    -10.58969865
  H      6.33666038      7.31269140     -9.70002409
  O     10.33315335      4.81217238     -9.21317282
  H      7.33754772      4.66766983     -9.51572050
  H      6.45208701      7.84066610    -11.15904539
  O      7.19052929      7.55779815    -12.80648559
  H      7.23149123      3.22773713    -10.06953367
  H     11.10875437      3.61861541    -13.98072267
  O      8.62280873      7.18230197     -7.00978257
  H     15.60273204      6.60458616     -8.42846317
  H     10.43739349      4.58733409    -12.97994098
  O     12.10385061      8.37553832     -7.63672986
  H     16.98751037      6.33878696     -9.06777045
  H      8.49605453      4.85468110    -11.65924299
  O      6.26550812      8.10335919    -10.24373533
  H     11.94258091      9.10741205    -12.08037696
  H      9.40041727      6.10058699    -11.76879910
  O     11.28613691      4.19027432    -13.23775864
  H     11.91323265      8.27924376    -13.36811779
  H      7.66331362      9.14795879    -10.07926159
  O      8.99743101      5.38702194    -12.28923974
  H     12.21347740      3.98392774    -11.60060399
  H      8.71008093      9.80621888    -11.02525639
  O      8.54005982      9.56440444    -10.10620830
  H     11.80368387      4.28758463    -10.14301826
  H     13.86545072      7.78394777     -7.24794518
  O     14.63980038      7.22464531     -7.10708382
  H     13.85305941      4.33643714     -6.99587864
  H     14.32012246      6.44415095     -6.63719314
          69
 Energy    -248.94570949546875     
  O     12.25237474      4.01405588    -11.90986699
  H     12.94237696      3.84179214    -12.56136987
  H     17.36833263      7.50986917    -11.92691028
  O     15.67316529     10.42993245    -15.01718562
  H     11.59481875      4.58045234    -12.34030737
  H     15.16960206      7.61145149    -12.04930063
  O     18.30916575      7.79352840    -13.42900129
  H     14.93724250     10.47940640    -14.38287805
  H     13.66901953      7.70391587    -11.67587918
  O     16.69407718     10.07985339    -10.29838449
  H     15.54160858     11.13708638    -15.64417367
  H     10.74946465      6.22699358    -13.89395353
  O     11.10665360      9.39513509    -13.61703690
  H     18.91709287      7.05043624    -13.52530530
  H     10.30496959      6.53100507    -12.45390218
  O     16.75937255      2.90191720    -14.93949508
  H     17.64815767      7.71595637    -14.13266530
  H     20.63089860      5.13886950    -13.68839714
  O     11.50564595      7.20619016    -15.39168980
  H     16.99945619     10.30549478    -11.19543200
  H     19.18256837      4.81212276    -13.24763521
  O     15.82128673      4.80941382    -11.11782865
  H     17.24941204     10.56224687     -9.69097183
  H     14.04326650      6.85096510    -13.88878110
  O     13.84269624     10.47146339    -10.34595681
  H     11.95721641      9.83984773    -13.51405980
  H     14.16337883      5.42450012    -14.45071026
  O     17.80385338      5.22714596    -15.89747996
  H     11.22290134      8.73130603    -14.30890853
  H     16.97928039     10.57971418    -13.58511203
  O     13.74018085     10.30527006    -13.09757313
  H     16.90896728      2.18762918    -15.55263775
  H     18.03022335      9.60208298    -13.04602914
  O     16.75670143      7.41050326    -11.18272766
  H     17.09115615      3.71356922    -15.36334454
  H     16.13726144      8.61135352    -15.41796404
  O     14.28467966      7.70972438    -12.42160762
  H     12.40751519      6.87287889    -15.24962167
  H     15.53536535      7.19198705    -15.25931205
  O     10.50122400      5.80833724    -13.06223884
  H     11.28195336      7.01823299    -16.29962982
  H     17.34597523      3.98572745    -11.91272681
  O     19.72645831      5.42744622    -13.77212558
  H     15.04357956      4.82781894    -10.54765763
  H     17.62303202      3.27832826    -13.25800286
  O     14.01040637      6.34092964    -14.71565516
  H     16.20430936      5.69756689    -11.07025549
  H      9.39136522      8.50947717    -11.08834759
  O     17.58499695     10.43804953    -12.84907312
  H     14.79534290     10.35646992    -10.23698783
  H     10.48744091      8.65195641    -12.17178281
  O     16.35919024      7.67211739    -15.42599796
  H     13.44659567      9.61889156    -10.12611192
  H     15.25368288      3.45839611    -14.03119974
  O     18.05344605      3.70854351    -12.50826934
  H     18.55679266      5.33969212    -15.30307303
  H     15.03361180      4.25290212    -12.71538693
  O     10.20788128      8.12766095    -11.39913231
  H     17.34042064      6.07302046    -15.90862928
  H     13.11187447      4.52915451     -8.93974960
  O     14.59005103      3.92995125    -13.51349493
  H     13.71233297     10.64300944    -12.19150856
  H     12.88737727      4.65941903    -10.46640699
  O     13.33655724      5.06138925     -9.69847452
  H     13.95329270      9.36589799    -12.97965325
  H     12.86759920      6.87767399     -9.89980694
  O     12.70374061      7.78900212    -10.17529507
  H     16.74644273      8.25255383    -10.71101227
  H     11.79223808      7.84837044    -10.49413083
          69
 Energy    -248.94560771330760     
  O     14.92070984     10.07694872    -10.77785790
  H     15.76208279      9.79488228    -10.39264998
  H     17.34382572      5.33564440     -6.89130425
  O     16.19314852      5.05702313    -11.82185634
  H     14.31397304     10.22349020    -10.03668645
  H     13.70329485      8.98350631    -11.54976967
  O     13.78224597      6.00076269    -10.79682821
  H     16.23446366      5.30100553    -12.75816203
  H     12.19140889      8.62450495    -11.47272522
  O     18.21962973      8.25785998    -13.72648131
  H     15.31443062      5.32849052    -11.52190501
  H     17.50903658      6.25358842    -11.40170467
  O     16.12568941      3.61600993     -9.34709281
  H     13.46929283      6.79216346    -11.25222824
  H     18.33093172      7.35734247    -12.12695824
  O     16.04969575      9.85464386    -13.39319808
  H     14.32039056      6.30589777    -10.04883666
  H     15.45848528      6.78407521    -14.42830331
  O     18.49917420      8.27807919     -7.27053884
  H     17.49709231      8.89741539    -13.59273613
  H     16.98314671      6.84902888    -14.26266973
  O     17.18783978      8.94591790     -9.67614792
  H     18.87000951      8.68698293    -14.27549136
  H     14.18779018      4.94619152     -6.28228863
  O     15.33176115      7.05906118     -8.81597827
  H     16.97079405      3.70097558     -8.89054974
  H     14.06910063      5.11278312     -4.74673536
  O     13.28344925      7.72965055     -7.08880410
  H     16.25062102      3.98452496    -10.22986429
  H     11.56657245      3.76323895    -10.15552421
  O     10.99885156      6.93483042     -8.53988772
  H     15.67893943     10.09890271    -12.53615598
  H     12.56494520      4.94376772    -10.09481615
  O     16.88134580      6.14324614     -6.62980733
  H     15.35874623      9.36229239    -13.85417057
  H     13.10201151      9.44979079     -8.03110178
  O     13.01364902      8.42301697    -11.93749732
  H     18.81417890      8.75031895     -6.50414695
  H     12.22420830      9.85262327     -9.22335689
  O     18.19142877      6.92790443    -11.27330843
  H     17.90947747      7.57628081     -6.94557236
  H     18.94312605      4.81226611     -8.23686313
  O     16.24334767      6.23244360    -14.32227446
  H     17.57843768      8.29186139    -10.27546663
  H     19.08170237      3.45464141     -7.50422011
  O     14.37758533      5.54800614     -5.53637265
  H     17.67877825      8.89893153     -8.84668538
  H     13.18515548      4.05268271     -8.22923032
  O     11.90115126      4.44843938     -9.58272069
  H     15.85547702      6.58464386     -8.15952645
  H     14.70948273      3.79592396     -8.25584706
  O     13.03311197     10.08675030     -8.75208885
  H     15.89088685      7.76865236     -9.15507409
  H      9.95100307      9.32655731    -10.32007303
  O     18.44797054      4.11542380     -7.76931375
  H     13.96053123      7.56469576     -7.76305752
  H     10.82120001      8.22145499     -9.67246131
  O     13.96324894      3.98278308     -7.66620807
  H     13.51286593      7.13095664     -6.37033038
  H     19.23870377      6.43330241     -9.84296631
  O     10.83802675      8.97986767    -10.28482948
  H     11.72739585      7.17839697     -7.95230670
  H     19.43855036      6.99141717     -8.41822284
  O     19.62446667      6.22958482     -8.97905120
  H     11.18354758      6.03795563     -8.84290228
  H     13.57862103      8.17490935    -13.60043499
  O     14.04537413      8.10165352    -14.44993832
  H     16.09244839      5.90654808     -6.12521718
  H     13.39396376      8.23641441    -15.13373711
          69
 Energy    -248.94527739431243     
  O     14.12873357     10.93653598    -10.01624990
  H     14.92313425     11.05914000    -10.55446430
  H     19.21192632      4.42236820    -14.46215652
  O     15.59866005      7.97394495    -15.15907169
  H     14.33575221     10.21346502     -9.41492545
  H     18.39137870     10.20246210     -9.02121789
  O     14.76916107      4.89175509    -12.09704482
  H     14.65772757      8.19389466    -15.17466585
  H     17.36466178     10.20294719    -10.17789872
  O     18.17974440      7.35921555    -11.07343215
  H     15.66758899      7.01016356    -15.11942558
  H     15.88702568      8.22295152    -13.37733222
  O     16.28973017     12.01678172    -14.07486865
  H     14.49686647      5.64954341    -11.56314412
  H     16.72971846      7.89089113    -12.09143991
  O     10.81144376      5.94694370    -13.45800949
  H     13.96226523      4.41752795    -12.33567073
  H     12.77117941     10.99178639    -11.09184271
  O     12.90357019      8.57030863    -14.95189646
  H     18.19650336      8.10005571    -10.46138356
  H     11.41292494     11.61510237    -11.49623608
  O     14.08814327      7.27425882    -10.76267298
  H     18.70228330      7.59431070    -11.86121787
  H     14.22055547      4.66650424    -15.48469887
  O     19.23405706      7.81453090    -13.49842918
  H     16.35249200     12.83579272    -14.55871955
  H     12.98294425      4.04333409    -14.81877655
  O     11.56667045      6.44278213    -16.19166595
  H     15.36326860     11.72269256    -14.14431479
  H     13.14880274     11.20638721    -13.35140385
  O     17.79286551      9.67507344    -14.99494948
  H     10.89908348      6.14237716    -14.39899209
  H     13.43595275     10.34502524    -14.58770049
  O     18.55018165      5.06478647    -14.21960680
  H     11.08817195      6.74797849    -12.99262525
  H     16.62427361      4.64710607    -11.71526538
  O     17.70443813      9.68134671     -9.42954837
  H     12.42125027      7.93268031    -15.49248042
  H     17.80301944      5.57251233    -11.32065043
  O     15.92891638      8.32302998    -12.41853512
  H     12.62247296      8.41917193    -14.03825020
  H     15.47089214      5.17316749    -13.79407065
  O     12.07247255     10.98335356    -11.77016031
  H     14.36060099      7.61103620     -9.90340439
  H     16.75224688      5.13265992    -14.67246898
  O     13.29737560      4.42892397    -15.64569103
  H     14.69978239      7.67896661    -11.40223028
  H     11.76025255      4.52629494    -13.10389979
  O     13.71017709     11.15180928    -14.13348461
  H     19.06908086      6.96477735    -13.92233508
  H     11.82458958      3.02807229    -12.72139411
  O     17.58767312      4.70904372    -11.70215480
  H     18.81747837      8.49576985    -14.04654614
  H     11.89161420      9.15934515    -12.10130767
  O     15.79618438      5.26319944    -14.70167468
  H     12.20709801      5.71681780    -16.07995414
  H     12.64934818      7.86307801    -11.70799727
  O     12.35885406      3.76349233    -13.00878192
  H     11.12287499      6.29335225    -17.02177967
  H     15.22673848      8.49080405     -7.60139071
  O     11.98814460      8.22314277    -12.31544393
  H     17.39201178     10.50457152    -14.71598925
  H     16.10781809      8.96968495     -8.77239893
  O     15.20959242      8.69298853     -8.53429897
  H     17.05063264      9.10292839    -15.23835621
  H     16.23975277      9.98332863    -11.90026196
  O     16.47412373     10.86201977    -11.55909603
  H     18.28418008      4.86156799    -13.30393508
  H     16.53260833     11.42953046    -12.33626697
          69
 Energy    -248.94497919245492     
  O     -7.80851825     -2.61061598      5.16878431
  H     -6.90291565     -2.37426773      5.40210714
  H     -2.85370606      1.74338085      1.85945119
  O     -8.36621711     -3.47764082      2.66979000
  H     -8.35666341     -1.84201552      5.37966186
  H     -7.76497954      0.04202182      4.14750282
  O     -5.50606067      1.41817504      0.13032393
  H     -8.45719774     -4.42692730      2.68713360
  H     -6.32679831      0.55431027      4.30172073
  O     -5.48258419      0.94216126      5.98839457
  H     -8.21741942     -3.19749251      3.59123811
  H     -4.55071819     -1.66018594      5.06322605
  O     -5.17268747      5.81499274      1.54694484
  H     -6.24684197      1.77561170      0.64180568
  H     -4.55390598     -2.39575039      6.42320778
  O    -10.00407794      0.95077232      1.57061242
  H     -5.82998228      0.58761134     -0.24199702
  H     -2.11276624      3.86126267      2.01141705
  O     -9.11802144     -0.15730728      5.44673046
  H     -5.32416343     -0.00227703      6.11320322
  H     -0.87676634      3.36876966      1.21968018
  O     -3.76396103     -1.29226093      3.55814291
  H     -6.26241763      1.18795924      6.50308570
  H     -8.05337063      3.80817713      4.55982624
  O     -4.20510351      3.89065103     -0.11188407
  H     -5.28662127      6.62833871      1.06292963
  H     -9.34078488      2.93924827      4.68694308
  O    -10.70377517      1.68696331      4.05641127
  H     -4.88065805      5.14524254      0.90216342
  H     -6.34726042     -1.16366044      2.64275066
  O     -6.68375716     -1.02800017     -0.40612427
  H     -9.18440734      1.45751910      1.47490910
  H     -6.71204590     -2.61972892      2.28630230
  O     -3.57415110      1.17073660      2.15197948
  H     -9.81229049      0.05774996      1.26246803
  H     -9.05815349     -2.29507275      1.39446606
  O     -6.96735648      0.25341850      3.64605314
  H     -9.78048182      0.38448977      4.99757071
  H     -9.98696410     -2.18139248      0.17194600
  O     -5.07885168     -1.82683134      5.86586528
  H     -8.74668420      0.39632535      6.14654809
  H     -8.11498236      2.09052576      8.01465122
  O     -1.81055094      3.22221775      1.34126766
  H     -4.42546795     -1.69157582      2.97414844
  H     -8.14918271      2.40118630      6.49583902
  O     -8.65484140      3.39281991      5.19110302
  H     -3.54512016     -0.44918160      3.14207458
  H     -3.65839269      5.36549715      2.68769012
  O     -6.03832486     -1.94381708      2.15579190
  H     -4.67003110      3.04663449     -0.19218568
  H     -3.43225874      4.23882172      3.70923066
  O     -9.36382839     -1.68905379      0.70317268
  H     -3.32363575      3.67320538      0.21430876
  H     -4.73157419      2.22229876      4.96076893
  O     -7.89941041      1.73008101      7.15924625
  H    -11.62126690      1.94460709      4.08247279
  H     -4.21681073      2.21502266      3.49589012
  O     -2.96710874      4.88722236      3.16192305
  H    -10.51283021      1.42372977      3.13804750
  H     -7.33671993      3.02898190      2.24340093
  O     -4.51987488      2.79306547      4.21102733
  H     -7.62967042     -1.13360039     -0.26592564
  H     -7.34811336      1.49454489      2.42485287
  O     -7.54941988      2.20253770      1.79270967
  H     -6.29024792     -1.40613250      0.39354446
  H     -5.95474246      3.78210443      3.72305458
  O     -6.69027095      4.30855473      3.37316380
  H     -4.23170780      1.17102629      1.44176523
  H     -6.29256435      4.95161419      2.77335217
          69
 Energy    -248.94489994961543     
  O      3.57322260      1.67618803     -1.65462955
  H      4.39306386      1.18924465     -1.51246485
  H      1.88145600      2.78470481      0.61202532
  O      2.13213359      0.97701699     -3.88268071
  H      3.07504520      1.61324609     -0.82647754
  H      6.65450578      0.11467683     -0.84988572
  O      4.11564816     -2.16061791     -1.77639017
  H      2.67429123      1.19806930     -3.10712689
  H      5.36475891      0.09620865      0.00683641
  O      0.69819318      4.07655847     -0.00969094
  H      1.76001799      1.80764827     -4.20124185
  H      1.41990927     -2.50663797     -3.58123727
  O     -2.64765669      2.23283752     -0.05977055
  H      3.86129458     -2.02390125     -2.69667988
  H      0.25795833     -1.85285816     -2.83280355
  O     -0.98330308      3.20357965      2.10625210
  H      4.74717005     -1.46778647     -1.53976988
  H      3.62910225     -3.46894289     -0.44472921
  O     -0.65228148      2.70155962     -2.05204715
  H      0.21979811      3.62088065     -0.71886726
  H      2.28492627     -4.09970982     -0.05132176
  O      2.58943702      4.29751415     -2.13290090
  H      0.13336148      4.00361496      0.76923175
  H      3.04271388     -2.64837434      1.57160282
  O      0.53863027     -4.27355660     -0.82304172
  H     -2.13981686      2.53403173     -0.82453312
  H      2.13313774     -1.91483224      2.61645710
  O      0.05587508      0.63906881      1.95203158
  H     -2.24750925      2.66727137      0.70288369
  H     -1.15456846     -0.31801899     -0.88082167
  O      0.16442539     -0.00563543     -2.16592090
  H     -0.60489164      2.31017819      2.16498177
  H     -2.18692837      0.46743240     -0.03628323
  O      2.32014657      1.95815168      0.84840002
  H     -1.19949765      3.46927186      2.99652707
  H      0.06691430     -2.19311005      4.13159497
  O      5.70992983     -0.00125585     -0.90097320
  H     -0.25585737      3.04871851     -2.85997016
  H     -0.08230911     -2.22732288      2.58953346
  O      0.61665686     -2.71065779     -3.08883433
  H     -0.42165832      1.76331796     -2.02246083
  H      3.88764956      1.02593346      1.41085009
  O      3.17215542     -3.91340578      0.28141287
  H      2.04712044      4.44653191     -1.34774720
  H      4.09375572     -0.44534618      1.81498907
  O      2.92221636     -1.82537483      2.07059986
  H      3.10042847      3.49623751     -1.95501779
  H      0.91728694      4.22292432     -4.87569065
  O     -1.66072656     -0.34561492     -0.05918765
  H      0.19994254     -5.12989260     -1.07447437
  H      1.60616541      3.91124185     -3.52300193
  O      0.39620101     -1.80341749      3.32684017
  H      0.58201569     -3.74534937     -1.63742411
  H      2.62464080     -1.39819548     -0.95026040
  O      4.56445587      0.34428705      1.51050162
  H      0.21377181     -0.09356725      2.55913351
  H      2.12048830     -1.16991429      0.47285847
  O      1.01206490      3.55034120     -4.20698672
  H     -0.49685022      0.28659505      1.24027311
  H     -1.28421980     -2.02719692      0.70886448
  O      1.92155739     -0.96808232     -0.44717351
  H      0.73055165      0.31634598     -2.87890776
  H     -0.39792845     -3.28118015      0.49321657
  O     -0.87178725     -2.77360212      1.16321505
  H      0.77030645     -0.32250945     -1.46898892
  H      3.29900436     -1.75362515     -5.22662078
  O      2.98906114     -1.61023778     -4.33552092
  H      1.62469304      1.38376995      1.19394380
  H      2.71035947     -0.68120796     -4.28327673
          69
 Energy    -248.94428571518537     
  O      1.85310146     -1.06878508      5.32867280
  H      2.42599187     -0.74066872      6.01712085
  H     -4.10487993     -1.83638606      3.92529765
  O      1.95877352     -0.25262452     -2.35125792
  H      1.37380374     -0.30030324      4.97083985
  H     -2.11350151      0.40988461      1.50959528
  O     -0.66653623     -2.33316546      5.89649896
  H      1.94761504     -1.21201798     -2.24600471
  H     -1.63618964      0.87699232      0.12431802
  O     -0.08184588      0.17434557     -0.55318603
  H      2.66668860      0.06575392     -1.77639855
  H     -2.97354889     -0.34979235      5.65177457
  O      1.65109068     -3.04865297     -1.60064433
  H      0.23414125     -2.01321560      5.78148556
  H     -2.02750112      0.84398990      5.86178671
  O      3.62146700     -2.20896919      0.30934872
  H     -1.20727403     -1.55103557      6.08088809
  H     -2.42101689     -0.70581961      3.41397733
  O     -3.46996988      2.46062647      2.85752272
  H      0.46782636      0.34729727      0.22362226
  H     -0.95905167     -0.15155406      3.43638682
  O     -3.90496672     -3.40501647      3.11324214
  H      0.52092579      0.13974441     -1.30829005
  H     -0.60009997     -2.77096242      0.56023982
  O      0.48521097      0.92472241      4.06787942
  H      0.76562439     -2.95189085     -1.21646363
  H     -0.63816566     -1.56101062     -0.43044880
  O      3.84515894      0.42936160     -0.27600828
  H      1.61685338     -3.80864139     -2.17691900
  H      2.19402234     -1.78462912      3.62321807
  O     -5.73618488      0.69942192      2.77453048
  H      2.99807601     -2.60004357     -0.31525273
  H      1.29040288     -2.43785050      2.54752590
  O     -4.02174471     -0.93755498      4.27891801
  H      3.20545618     -2.26108444      1.18092148
  H     -1.71737010      3.35984908      5.30508662
  O     -2.34905156      0.98620878      0.76499784
  H     -3.06240898      2.14827479      2.03782457
  H     -2.31100140      2.52564727      4.14919465
  O     -2.21913748     -0.04429453      6.17803386
  H     -4.31228177      1.99471552      2.91551822
  H      1.85601706     -0.32213347      1.94487815
  O     -1.60785976     -0.61914430      2.89731175
  H     -3.14445243     -3.83424279      3.52505225
  H      2.46201317      0.72754956      0.99040401
  O     -0.79148502     -2.51497893     -0.35619655
  H     -3.71904037     -3.34688388      2.16886236
  H     -1.47919385     -5.19754476      4.90400146
  O      2.13925018     -1.99226727      2.68256721
  H      0.85750359      1.07895797      3.18908974
  H     -1.26042918     -3.66740080      4.98463495
  O     -1.63310148      2.52719110      4.84818040
  H     -0.14889594      1.62000480      4.28812157
  H     -0.71350123     -3.63684572      2.94158916
  O      1.71273093      0.56271218      1.57683185
  H      4.74902161      0.72292078     -0.35027839
  H     -0.85877314     -2.15958093      2.50477259
  O     -1.54120559     -4.39361050      4.39632813
  H      3.87304672     -0.52377523     -0.07187714
  H     -2.57951681     -2.86089556     -0.03969771
  O     -0.40008578     -2.99078899      2.29778186
  H     -5.46676304      0.26622433      1.94388415
  H     -3.84906824     -3.67090740     -0.36185165
  O     -3.48415507     -3.04143835      0.25711624
  H     -6.67815948      0.83419305      2.72282025
  H     -3.93625108      0.11200615      0.45810049
  O     -4.72265150     -0.44697454      0.54095463
  H     -4.68971543     -0.39004109      3.85001964
  H     -4.40673050     -1.35143748      0.44255293
          69
 Energy    -248.94427623632777     
  O     17.39879008     10.97763014    -14.59666661
  H     18.07056271     11.49683765    -15.03309756
  H     15.42713128      3.97089099    -11.47248508
  O     17.39344189      4.36910010    -15.35246105
  H     17.84568396     10.19272107    -14.24479227
  H     15.10887833      5.03951063    -13.30640927
  O     12.47894729      7.81450758    -13.84471516
  H     18.01120743      3.75450063    -15.73844374
  H     16.53371594      4.60394941    -13.74926297
  O     11.97764771      5.57048396     -9.85084564
  H     17.76323168      5.26090214    -15.48241649
  H     12.23713740      8.96421335    -10.82040568
  O     14.77535794      5.14189686    -16.36056907
  H     12.18212306      8.48204772    -14.47235586
  H     12.31240864      7.97706811    -12.02057557
  O     14.88594239     10.42256777    -16.30539368
  H     13.42673797      7.99763852    -13.72624704
  H     15.08776019      9.39157526    -13.38692042
  O     18.20033855      6.94338217    -15.66312989
  H     12.75958745      5.50014126     -9.29044985
  H     15.70650791      8.00877080    -13.02145989
  O     12.18554590     10.77820581    -10.51907067
  H     12.00315929      6.46003887    -10.23100516
  H     19.52859070      8.77699540    -13.00892328
  O     14.58358523      5.31878754     -8.64077667
  H     14.19474191      5.03576024    -15.59523020
  H     18.10175998      8.21487088    -12.84536776
  O     15.61178894      7.77178278    -16.27408831
  H     15.61479775      4.73457283    -16.11553388
  H     13.16932187     10.24291413    -15.83390795
  O     12.23248060      3.69348934    -11.78647446
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  H     15.61696438     10.75650040    -15.77876336
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  H     18.47354657      7.53380568    -14.95416948
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  H     11.55993808     11.33778211    -10.06752287
  H     16.71342469      6.36052771    -12.26475071
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  H     14.76643205      4.67740749     -9.35134902
  H     16.36359559      7.42286877    -11.17829442
  O     13.37533503      5.16687192    -13.89064782
  H     14.85826761      4.91195473     -7.82381847
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  H     15.23656683      6.89413116    -16.43337977
  H     15.35515422     11.00103214    -11.90433776
  O     16.94488577      7.24027125    -11.93043758
  H     15.42729759      7.99199197    -15.34834504
  H     15.16761507      9.60901370     -9.99095907
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  H     11.52257263      3.05848790    -11.74734397
  H     14.10438817     10.70738306    -10.15289578
  O     15.05631150     10.54725163    -10.19055278
  H     12.05562140      4.35798585    -11.09614789
  H     14.93630309      6.94832658     -9.44568127
  O     15.00684774      7.71129424    -10.03293359
  H     14.02233183      3.47589021    -11.08993490
  H     14.13911452      7.81302728    -10.45035777
          69
 Energy    -248.94419570081470     
  O     14.64522958     13.41836525    -10.58178802
  H     13.82279630     13.06900599    -10.21003134
  H     12.38381834     11.01267171    -14.57326416
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  H     14.29744405     12.53317059    -17.56069273
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  H     15.70929005      8.61439105    -11.92064544
  H     11.73076335     14.40180262    -14.77448606
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  H     18.70030577     12.96037893    -13.23588536
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  H     15.86902952     15.49591516    -12.77500674
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  H     15.55623007     14.94555109    -11.36250002
  H     11.63987345     11.90732593     -9.16910222
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  H     12.53408553     11.27308932    -10.24761032
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  H     13.85518548     10.07019879    -16.11888371
  H     16.54485138     12.26166119    -18.72177575
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  H     15.89268848      6.10084286    -12.49731838
  H     16.52922824     12.73685020    -17.24832690
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  H     15.39103220      7.04734152    -13.61323472
  H     12.26906908      7.51739580    -14.37597720
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  H     15.39157516      8.12532806    -15.72569325
  H     11.53594110      6.92027522    -15.60012006
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  H     14.12830009      7.28637365    -15.45060979
  H     16.39618941     10.79403312    -10.56178847
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  H     14.65226664     12.93000120    -12.31654044
  H     17.01094433     11.21302352     -9.20866571
  O     12.42001925     12.06263291     -9.69454586
  H     13.81539663     12.25550431    -13.44692010
  H     17.51213476     11.40721300    -13.99293477
  O     16.10971496     12.12839694    -17.88428005
  H     12.64125066     10.49720747    -12.27102309
  H     15.99443243     11.61070134    -13.70858248
  O     12.21352708      7.54172939    -15.34805367
  H     13.90550487      9.91958995    -11.55618621
  H     13.52441572      7.15391338    -12.55103029
  O     16.70593870     11.55569980    -10.04556107
  H     16.05827962     10.22071310    -15.40482056
  H     12.56982419      8.29567500    -12.17196985
  O     16.67292602     10.94164223    -13.89713663
  H     15.87811160     10.55770390    -16.90291018
  H     17.56272880     14.22588502    -11.73884315
  O     12.61626370      7.46221932    -12.65805450
  H     17.84586381     13.45732124    -15.42957818
  H     17.75531991     12.82237097    -11.10802335
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  H     16.57088021     14.32438236    -15.56884783
  H     14.41184160     15.21032728    -15.07961538
  O     15.18737120     15.02501259    -14.53868037
  H     11.75784309     12.26655995    -13.85635778
  H     15.00513405     14.17384660    -14.10913409
          69
 Energy    -248.94394797894608     
  O     14.97903157     10.25661639    -16.08601146
  H     15.25074859      9.64056830    -16.78305289
  H     20.61896339      3.57356009    -16.50579275
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  H     17.65083695      7.20236866    -15.82760037
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  H     18.12461882      8.66596818    -15.59510280
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  H     15.49499060      6.25163985    -15.66445414
  O     16.39185238      5.83882874    -19.21535438
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  O     14.08586841      6.27621648     -9.66470651
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  H     13.23268389      8.22857324    -13.78982528
  O     13.91310489      4.55024614    -13.40777358
  H     18.17931978      5.83522630    -18.48099824
  H     13.69714464      9.24004671    -14.88736385
  O     16.32379609      7.73244373    -12.98752385
  H     18.91474925      6.70217063    -17.44122855
  H     14.85897195      2.83561112    -10.50558866
  O     17.19126491      3.46828277    -15.56334063
  H     16.28597806      5.59640140    -20.13186442
  H     15.72392993      1.65747609     -9.99261035
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  H     14.49141555      7.28152815    -17.08481242
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  H     13.92026226      6.66396133     -8.80956165
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  H     14.83186877      4.26001465    -13.32215498
  H     17.08345360      4.37228112    -12.61190519
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  H     16.35207664      3.09711125    -12.11134760
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  H     16.42424311      4.21838187     -9.82956106
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  H     18.14238556      3.54631682    -15.71178928
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  H     13.72596268      6.26041883    -12.74591407
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  H     13.37370974      3.93281917    -11.70714383
  H     13.74016729      6.95981334    -11.36731582
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  H     16.55280079     10.16135396    -14.96619392
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  H     16.09530277      3.53841276    -17.01322016
  H     17.03023094      9.24172665    -13.83041711
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  O     15.96853454      8.24011130    -17.82325551
  H     19.60364609      4.67094325    -16.91235518
  H     16.78591804      8.24229967    -17.30743158
          69
 Energy    -248.94340652279953     
  O      1.48470299     -2.03431420     -7.86487248
  H      1.43620821     -2.77337067     -8.49044244
  H     -1.95240266      2.86787107     -6.86814169
  O     -1.05726221      0.14435378     -6.51018854
  H      1.06724730     -1.28463264     -8.30135368
  H     -2.05826999     -1.25627507     -3.51522936
  O     -1.32417549      2.86768947     -8.60987710
  H     -1.63146523     -0.62031281     -6.38947702
  H     -3.42190647     -1.36938763     -2.79832678
  O     -3.44773897      1.63500278     -9.80745476
  H     -1.56834612      0.93896744     -6.31024912
  H     -2.44476946     -1.13801002     -9.67803897
  O      0.30541131      3.15948530     -4.63492463
  H     -0.73143277      2.12769773     -8.78482267
  H     -1.09611542     -0.36361463     -9.87879989
  O      2.60702217      1.82368433     -8.41467033
  H     -2.14423881      2.62850073     -9.06847979
  H     -4.89887211      0.55816053     -7.00435999
  O      0.24588584      0.39808540     -8.86034901
  H     -3.00244469      0.87195625    -10.19419916
  H     -6.16560340      0.58931650     -7.88856348
  O     -1.03107227     -3.16638923    -11.41673517
  H     -4.10031158      1.27970237     -9.19135203
  H     -3.31982416     -2.03176283     -7.68216406
  O     -0.07296395     -3.36076966     -5.94483414
  H      0.62240537      2.24293226     -4.56076693
  H     -4.34452022     -1.15149434     -8.42711599
  O      0.95007000     -4.11019956     -9.55859549
  H      0.55477048      3.60475494     -3.82919279
  H      3.05268210      0.52842903     -7.05464158
  O     -2.56274160     -2.19788867     -6.12637666
  H      2.14569157      2.57793730     -8.00676863
  H      2.67196024     -0.94774030     -6.85572954
  O     -2.15549804      2.65821416     -5.94504917
  H      3.25419031      2.18523244     -9.01461176
  H      1.82002134      0.28093900     -5.16531167
  O     -3.01142163     -1.07784203     -3.60851769
  H     -0.17071102      0.32038428     -7.98427114
  H      0.27919521      0.31431846     -5.30675327
  O     -1.84499655     -0.76284734    -10.34173939
  H      1.09539720      0.84966770     -8.76342644
  H     -3.84597182      0.27734669     -4.74497170
  O     -5.22879101      0.41079025     -7.90790624
  H     -1.29708948     -2.27528054    -11.13490360
  H     -3.60271707      1.61452619     -5.48641960
  O     -3.69201983     -1.84908562     -8.55938854
  H     -1.06406569     -3.17335857    -12.37000804
  H     -3.19009971     -3.57181641     -9.13318728
  O      3.03232594     -0.17689819     -6.39649985
  H     -0.28663385     -4.17257195     -6.42409471
  H     -2.17873468     -4.06968506    -10.17713023
  O      1.00503921      0.51369168     -4.69589594
  H      0.51153576     -2.85484606     -6.52741994
  H     -0.15365163     -2.37634964     -4.25739112
  O     -4.20961172      0.86401515     -5.41710185
  H      0.35157822     -3.82182762    -10.25905672
  H      0.23496790     -0.96606750     -3.76868035
  O     -2.67342820     -4.34469178     -9.39505525
  H      0.42766150     -4.67824732     -8.97903806
  H     -1.55830173     -5.07268346     -8.25528319
  O     -0.35814399     -1.70732860     -3.59172166
  H     -1.72631338     -2.67718359     -6.03671384
  H     -0.99050054     -6.36203284     -7.61782158
  O     -0.83813783     -5.42438792     -7.70186047
  H     -2.86135907     -1.95086995     -5.24268408
  H      0.21777300      3.71400396     -7.80048026
  O      1.06021204      3.76025693     -7.33062259
  H     -1.40016579      2.94041244     -5.41388454
  H      0.85594184      3.65312528     -6.39345723
          69
 Energy    -248.94301666699914     
  O     11.19161900      9.65850760    -11.54165348
  H     11.78597834     10.14748479    -12.13298922
  H     14.63259294      5.08655444    -17.59748432
  O     13.87129496      6.98616977    -15.11753269
  H     10.59396187     10.30078042    -11.16588673
  H     17.92283138      6.97895680    -16.18477011
  O     17.12798177     10.15212857    -10.20704462
  H     13.20040592      7.66561628    -15.26672655
  H     16.86842997      5.87932791    -16.39982379
  O     18.15259393      8.81524980    -16.74436614
  H     14.61260584      7.42282052    -14.67058323
  H     14.49071397     11.43209482    -15.86527056
  O     12.00405245      9.01873648    -15.20189294
  H     17.75841530     10.26773826    -10.92883864
  H     14.81515846     12.89008380    -15.45414087
  O     15.35164845      6.34642412     -9.67690960
  H     17.37630062      9.33028207     -9.76296868
  H     15.53471943      8.54271687    -12.85017846
  O     12.98498318      5.91754667    -12.69097557
  H     18.94064774      9.19742468    -17.12323106
  H     16.39154114      7.35692852    -13.43038768
  O     14.84658401      9.50653624    -11.53501474
  H     17.85172351      9.42196305    -16.04951292
  H     18.61372470      7.43728081    -10.86579449
  O     15.58529450      8.50411439    -18.00106436
  H     11.36721751      8.47797972    -14.71301172
  H     18.99089181      8.34175054    -12.05595998
  O     15.31743554      4.52652981    -11.87393710
  H     12.38318704      9.62896991    -14.55399535
  H     10.65699916      8.16484427    -12.67631896
  O     17.09794898     10.32661760    -14.67229397
  H     15.35830858      5.66156900    -10.35707286
  H     11.23356567      6.79783009    -13.08545579
  O     15.14694089      5.78384232    -17.19967151
  H     14.50121985      6.79419274     -9.76128218
  H     18.26402404     10.33341566    -13.27974544
  O     17.66609740      6.09409148    -15.89976242
  H     13.68709293      5.32100366    -12.40278901
  H     19.59661777     10.79144040    -12.64943514
  O     14.86311693     11.98691187    -15.15278052
  H     13.25883515      6.23649826    -13.56266252
  H     17.52677624      5.80364025    -14.15290170
  O     15.87309199      8.13787710    -13.66133068
  H     14.30252961      8.87703432    -11.04532634
  H     17.99979472      6.27640436    -12.72210270
  O     18.95170903      7.42174745    -11.77087818
  H     15.58961468      9.79160573    -10.98486141
  H     16.86858652      7.12687852     -9.34408985
  O     10.61160352      7.48286291    -13.35821163
  H     16.48501636      8.63892739    -17.68144463
  H     18.04453844      7.29149084     -8.35444707
  O     18.84369386     10.22164768    -12.50997131
  H     15.40790190      7.56455370    -17.87574589
  H     14.38041656      9.70299258    -17.38967314
  O     17.31202799      5.79540199    -13.20770960
  H     15.50232397      3.59195787    -11.82715081
  H     13.06052637      9.85838236    -16.57937363
  O     17.72442466      7.57088030     -9.20799069
  H     16.04725867      4.93144599    -12.37538463
  H     12.30312999      8.33182058    -10.68379146
  O     13.79381112     10.34874138    -16.96874147
  H     16.64823037      9.52215867    -14.36223081
  H     12.96297677      7.06640319    -11.28111602
  O     13.00614134      7.68807558    -10.53771045
  H     16.40904902     10.98280214    -14.83136896
  H     13.77270111     10.36175366    -12.63117617
  O     13.13062453     10.75217595    -13.24571271
  H     14.61943390      6.13833374    -16.46255349
  H     13.64556371     11.30453170    -13.84487486
          69
 Energy    -248.94301202798323     
  O     14.37283177     11.87989680    -14.18258695
  H     14.25843040     11.17604945    -14.83552578
  H     19.45091262      6.17246480    -15.51800246
  O     16.00204757      6.79032684    -13.86964395
  H     15.20365623     12.31303491    -14.41242529
  H     18.51141621     10.82653822    -16.82842986
  O     19.16128480      8.95201938    -11.83231848
  H     16.71531608      6.41262141    -13.34175470
  H     17.19152801     11.10985683    -17.57061651
  O     19.37922655      9.27403586    -16.24231245
  H     16.36715884      7.61168676    -14.23412380
  H     17.15108418      9.77059536    -14.02745938
  O     14.13943007      6.90039724    -15.94659965
  H     19.03491687      8.87346128    -10.87813949
  H     17.78907247      9.19268138    -15.32164440
  O     15.78981655      9.49903284     -9.38929690
  H     18.61335977      9.69912138    -12.11523483
  H     17.70228265      6.93898066     -9.48976328
  O     14.01467657      7.81594965    -12.23934940
  H     19.98369143      9.14291809    -15.50043479
  H     17.58887086      6.01152011    -10.71123041
  O     17.46278585     10.94221619    -12.68793318
  H     19.28177091      8.41991554    -16.68578861
  H     11.28616689      7.94379051    -14.06480022
  O     16.24483424      7.31839250    -17.82814526
  H     14.79557874      6.67648264    -15.26991035
  H     12.63843874      7.57067537    -13.43850441
  O     14.60899832      6.89619517     -9.65767618
  H     13.29295498      6.94049738    -15.47924149
  H     20.34906392      8.77308105    -13.15957711
  O     18.82272129      6.72511484    -17.25488657
  H     15.28901139      8.67404968     -9.36375730
  H     21.79958999      8.85171714    -13.68357159
  O     19.85766913      6.04568418    -14.65236888
  H     15.44842441      9.98801546    -10.14911860
  H     18.53162686      7.19302399    -12.21965743
  O     17.85550107     11.51552773    -17.00033922
  H     14.11160861      7.45043838    -11.35090565
  H     18.84485474      6.00782541    -13.15800940
  O     17.00164174      9.16692225    -14.76562756
  H     14.71372968      7.42198051    -12.78243099
  H     17.47265967      9.08042695     -9.21842569
  O     17.21597877      6.18051794     -9.83505701
  H     16.57816263     10.81405573    -12.31223536
  H     18.73132342      9.01968045     -8.32048457
  O     12.05604094      7.39549386    -14.19449293
  H     17.41358047     11.68632121    -13.30215255
  H     15.22228742     10.06468405    -17.56010549
  O     20.90446519      8.65349546    -13.94787805
  H     15.47097730      7.09187751    -17.29642548
  H     15.16709157     10.45039614    -19.05684672
  O     18.29878101      6.27314365    -12.40370966
  H     16.11441720      8.22535468    -18.12766186
  H     14.52556694      9.57665051    -12.04150189
  O     18.37946862      8.72793620     -9.15711355
  H     14.14902812      6.33645844     -9.03812354
  H     14.56328882     11.02813656    -12.59992994
  O     15.75127998     10.12919685    -18.37409536
  H     15.51872467      6.55368430     -9.72488540
  H     17.34442676     12.37782219    -15.56024857
  O     14.86953217     10.46494727    -11.87394861
  H     17.87941408      6.87545077    -17.44272298
  H     17.29520574     13.74029910    -14.83476065
  O     17.06100877     12.82044878    -14.74109009
  H     19.16767475      6.22610169    -17.99118106
  H     15.45241304      9.60127209    -15.53909338
  O     14.57615307      9.69356240    -15.94720317
  H     20.34394399      6.85884982    -14.46920220
  H     14.21432025      8.79921233    -15.96165349
          69
 Energy    -248.94244386821020     
  O     15.87744892      9.71248166    -16.32718725
  H     16.48595828      9.82446843    -15.58628431
  H     19.08941307      6.38756233    -17.61878742
  O     13.81895269      4.58611024    -14.64776854
  H     15.01721032      9.51021251    -15.94168202
  H     17.40726300      6.61356669    -16.09350170
  O     17.87424054      5.49906203    -11.78428139
  H     14.62725007      4.09429731    -14.83759557
  H     16.72028455      6.76026966    -14.69867302
  O     19.48225890      4.68610025    -18.19958331
  H     13.67294749      5.13996749    -15.42743399
  H     12.54996112      9.35522676    -15.07750086
  O     16.94694182      3.83143226    -18.22146249
  H     17.39096110      6.24612154    -12.16856651
  H     13.46158487      8.29681772    -14.41610056
  O     13.36309169      6.10037991    -10.63254347
  H     18.74516204      5.51771170    -12.19873129
  H     14.21857352      2.70466537    -11.34012616
  O     16.52647282      7.53971125    -13.03034392
  H     19.99257526      4.30599890    -18.90844076
  H     14.71971498      1.49243100    -10.51840266
  O     16.42644503      3.60798718    -15.40574958
  H     18.57606054      4.33203310    -18.27984918
  H     14.98496518      6.50942743    -16.30401279
  O     12.94951825      3.64082019    -12.11585871
  H     16.39286286      4.56203287    -18.53559265
  H     13.69831304      7.36587301    -16.31410810
  O     19.60218798      8.14174043    -14.69959927
  H     16.63363788      3.59016349    -17.34219512
  H     19.91372296      5.05063504    -14.12273953
  O     19.36975835      4.03666805    -15.43121711
  H     14.23193010      5.74388317    -10.37088610
  H     21.07372322      5.38746999    -13.15983891
  O     18.79643142      7.19510130    -17.17705906
  H     12.91979991      6.36140927     -9.83026192
  H     16.30871925      2.68895899    -12.18263506
  O     16.64808365      6.34080251    -15.56428257
  H     15.56185725      7.49064731    -13.03282987
  H     17.27188973      3.86734485    -12.44784717
  O     13.37611547      8.88941204    -15.18150552
  H     16.80124400      8.43205890    -13.27524797
  H     16.54508006      5.15623988    -10.48324132
  O     14.99342848      2.32781044    -10.88649726
  H     16.55028017      4.57105907    -15.43564828
  H     15.56328342      4.00457917    -10.17432273
  O     14.06275163      6.52549679    -16.61101209
  H     16.59184226      3.31426502    -14.49389712
  H     15.96727304      6.92058182    -18.97404975
  O     20.18811683      5.64624680    -13.40255270
  H     12.91798790      4.46579665    -11.61698719
  H     14.80674981      6.18379278    -18.30407074
  O     16.92008745      3.05358450    -12.83257250
  H     13.13413705      3.88510980    -13.03256390
  H     13.84704366      6.18334968    -13.66894214
  O     15.72769523      4.94315515    -10.01503913
  H     19.45272246      7.85157443    -15.61103600
  H     13.57778479      6.81629264    -12.27630416
  O     15.49398955      6.08059869    -18.97556429
  H     19.83452229      7.35082549    -14.19970108
  H     17.99032852     10.66740924    -13.70227325
  O     13.79931259      7.02508977    -13.19372303
  H     19.54201600      4.21566332    -16.36367947
  H     18.39837390      9.29611934    -14.29621720
  O     17.63712863      9.86957915    -14.08600311
  H     18.47483819      3.68463058    -15.39518072
  H     16.90018678      9.28638615    -19.28113931
  O     16.86364727      8.60692126    -18.61295266
  H     18.23043818      7.68763133    -17.78584560
  H     16.47747873      9.01770862    -17.81877876
          69
 Ord_Energy   -248.942215    
 O   0.627514422       4.96374130       4.77027464    
 H    1.07773948       4.33310461       4.19557190    
 H   0.419301003       5.73758554       4.23490143    
 O   -2.04461288       8.83401966       1.47442079    
 H   -1.79243779       8.36545944      0.656423628    
 H   -1.92760682       9.76531506       1.30907965    
 O    1.85988760       2.84883833       3.23813915    
 H    2.76187587       2.62374663       3.45137858    
 H    1.81757104       2.94655895       2.27015686    
 O   -4.17499781       6.99345589       1.54585350    
 H   -3.58351231       7.75499964       1.56279302    
 H   -3.99047422       6.51181984      0.724191487    
 O  -0.541444004       1.42075813       3.32389879    
 H  -0.967124879       1.37252462       4.18875933    
 H   0.328667283       1.82845879       3.42751145    
 O   -4.27514172       1.04098856       3.97329330    
 H   -3.55717945       1.17543972       4.60301495    
 H   -4.66820860       1.90643668       3.80374527    
 O   -4.83744621       2.24042988      0.457535952    
 H   -4.03653336       2.50551176      -1.64765902E-02
 H   -4.69083691       1.33010232      0.742545843    
 O   -1.45436811       7.28071833     -0.651053131    
 H  -0.846779168       6.62646294     -0.279104829    
 H   -2.24018621       6.78869104     -0.922096670    
 O   -2.44108319       3.17673206     -0.608994126    
 H   -1.72214592       2.65293670     -0.978218973    
 H   -2.21441412       3.29163098      0.328971118    
 O  -0.191949204       1.52358997     -0.993247986    
 H  -0.582703054      0.952760041     -0.305899143    
 H   0.118322097      0.946748257      -1.68618321    
 O   -3.73545980       5.62018919     -0.832153022    
 H   -3.21289968       4.80627346     -0.859881699    
 H   -4.65983152       5.33922386     -0.891969740    
 O   -2.04506350       1.48856723       5.69098091    
 H   -1.94145739       1.11731803       6.56276703    
 H   -1.98155212       2.45677781       5.78569126    
 O   -3.21161723       5.31274223       3.52286530    
 H   -3.49975300       5.97937918       2.88347030    
 H   -3.88654494       4.61811209       3.46863866    
 O   -1.66552389       3.57307172       1.95042610    
 H   -2.16172671       4.13263226       2.55744529    
 H   -1.31778765       2.82142258       2.44617462    
 O   -6.63425875       5.81023598       2.08548665    
 H   -5.84020281       6.34576321       1.92335975    
 H   -7.31415844       6.40955067       2.38342857    
 O   -1.81712961       4.15814877       5.74821520    
 H  -0.913606763       4.42621517       5.51859760    
 H   -2.39559174       4.65275526       5.15912294    
 O  -0.752938509       6.95896721       3.18460345    
 H   -1.12136078       7.71879292       2.71512723    
 H   -1.51103187       6.42724800       3.45355153    
 O   -1.32471347       8.94830599E-02   1.00075305    
 H   -2.26508212      -7.81929195E-02   1.13013995    
 H  -0.998753011      0.434390247       1.84376037    
 O   -6.25629044       4.52741289     -0.499232411    
 H   -5.94074869       3.64844799     -0.248621404    
 H   -6.58215570       4.93000078      0.313596010    
 O   -4.11188316     -0.234459147       1.59131396    
 H   -4.15468168      0.153183401       2.48444200    
 H   -4.57437468      -1.06749165       1.63113773    
 O   -5.20253944       3.51490188       2.92939711    
 H   -5.04130888       3.08884311       2.07380128    
 H   -5.84953737       4.21173525       2.76452947    
 O    1.59246981       3.17667842      0.558124423    
 H    1.22714913       4.07107210      0.514379859    
 H    1.03759742       2.62495756      -5.97814005E-03
 O    6.64027333E-02   5.48824692      0.914321840    
 H    7.31462007E-03   6.09725332       1.66055870    
 H  -0.495787323       4.74430513       1.17819262    
          69
 Energy    -248.94212686940199     
  O     16.74031139      9.75407018    -15.54758213
  H     17.49216312      9.16409538    -15.40192338
  H     13.18128491     13.08887550    -10.69091148
  O     14.45920661      8.46507269     -9.08051228
  H     15.96553748      9.20038967    -15.72020141
  H     16.50787199      4.31515719    -14.15942681
  O     16.58583879     12.41667211    -15.05806700
  H     14.45226667      8.20494608     -8.16395293
  H     17.60586557      3.33112563    -13.68998190
  O     12.43590863      9.64027197    -10.72097134
  H     14.92427838      9.32153216     -9.12850891
  H     15.66951095      8.39467963    -11.92309482
  O     14.54955878      8.10905297    -15.84251638
  H     16.72584879     12.94537664    -15.83948896
  H     15.19217889      7.70297721    -10.61411946
  O     18.77331398      8.03934101    -14.82991188
  H     16.65172852     11.48454869    -15.33456735
  H     17.94954993      5.15715293    -15.52768475
  O     20.51422254      9.93333126    -13.74467107
  H     13.03516046      9.16898697    -10.12961070
  H     18.38095479      6.58023652    -15.91897665
  O     17.92792939      6.66986360    -12.54757888
  H     12.74972738     10.55211636    -10.74751652
  H     18.83471317     11.42722860     -9.89549606
  O     11.55208436      8.46091909    -12.98021978
  H     14.79908937      7.40435034    -16.45287610
  H     18.58722500     10.16936388    -10.75253827
  O     12.82597177     10.16567151    -14.89159979
  H     14.32381206      7.67640456    -15.00617366
  H     16.42306812      5.86724130    -16.99700906
  O     14.25213457     12.03215775    -13.49988149
  H     19.47127480      8.64658581    -14.55445204
  H     15.46827506      5.57267076    -18.17861381
  O     13.59610642     12.25233177    -10.88472633
  H     18.45714759      7.59335119    -14.02973960
  H     16.32463666      9.73962508    -13.68508408
  O     17.44539330      4.24634364    -13.90283943
  H     19.90921410     10.68350993    -13.59971489
  H     15.28557365     10.53838088    -12.89939939
  O     15.52941713      7.52884788    -11.49915842
  H     21.37447511     10.30186509    -13.92435269
  H     17.99215999     12.16175970    -13.74977978
  O     18.00968220      5.76279757    -16.27702004
  H     17.82458328      5.78479946    -12.91775593
  H     18.38385842     11.68266150    -12.32726854
  O     18.21598454     11.03514752    -10.50814608
  H     17.08437530      6.90232546    -12.13228648
  H     14.36025427      6.99464306    -12.76100716
  O     15.49127090      5.89216002    -17.28096505
  H     11.84150771      8.88397484    -12.15161563
  H     12.93617722      7.26380608    -13.31879758
  O     15.92681450      9.82514477    -12.81135526
  H     10.62099565      8.27920147    -12.88595864
  H     18.98026864      7.95496301    -11.65116174
  O     18.73861603     11.90626118    -13.19744229
  H     13.36592182      9.53463948    -15.38390297
  H     19.94251538      9.06762906    -12.11172028
  O     13.76098413      6.79510365    -13.49456133
  H     12.29805619      9.63302327    -14.28345058
  H     16.47180139     10.92673179     -9.85715227
  O     19.44329012      8.74721413    -11.35048481
  H     13.70084613     11.44187576    -14.03890382
  H     15.00624590     11.43660822     -9.89805450
  O     15.61680896     10.87014397     -9.41114104
  H     15.00359908     12.30711140    -14.03831390
  H     14.97459232      4.92461984    -15.67879582
  O     14.90189311      4.59272276    -14.77589604
  H     13.81325689     12.26042624    -11.83314680
  H     14.40596243      5.26367247    -14.28603870
          69
 Energy    -248.94151809986641     
  O     12.05994743      9.65676846    -12.82579755
  H     12.34937285     10.42889490    -13.32811275
  H     16.64602677      6.63978143    -16.92630128
  O     14.38127651      6.65691075    -14.89449151
  H     11.97084675      8.93639910    -13.46941822
  H     17.86340980      8.43817900    -16.34837203
  O     16.14421090     11.25964877    -10.22716280
  H     14.82611131      6.43083466    -15.71935183
  H     18.08072020      7.35249759    -15.25795174
  O     17.22486059     10.19786812    -16.89279345
  H     14.83518400      7.42517960    -14.51668299
  H     14.18048903     11.54864629    -14.54230317
  O     11.81672107      7.59686792    -14.65679108
  H     15.44749087     10.67227424    -10.56775406
  H     13.00278742     12.53956033    -14.66451569
  O     16.46490780      6.51208019     -9.70073489
  H     15.73457225     11.83250110     -9.58427919
  H     15.25623563      8.92177235    -12.72339579
  O     14.16401427      5.37986192    -12.44571356
  H     17.68582034     10.62995798    -17.60700147
  H     15.75411059      9.56734093    -14.03750020
  O     14.33706380      9.48680476    -11.24594709
  H     16.41795940      9.80230489    -17.27521290
  H     10.29355102      8.27531211    -10.37062994
  O     15.01608596      8.98711429    -17.79450003
  H     12.70718352      7.26965788    -14.85644574
  H     11.31882736      8.63738006    -11.46589807
  O     16.94560581      5.01084690    -11.86678498
  H     11.42355329      6.91870278    -14.09118970
  H     18.92116994      8.44920960    -12.63979414
  O     15.92788053     11.26553861    -14.67649500
  H     16.93054547      7.36110121     -9.66522927
  H     20.28701697      9.09744686    -12.31991332
  O     15.80572535      6.27465733    -17.25826386
  H     15.52168312      6.70042535     -9.63934711
  H     12.16114927      5.41276592    -12.53738972
  O     17.99081931      7.49177442    -16.20947693
  H     14.19960304      5.75946196    -13.33593346
  H     11.09982234      6.36277615    -11.95191455
  O     13.21399344     11.62883741    -14.47283396
  H     15.06653109      5.09783123    -12.25422628
  H     18.30680415     10.77994353    -12.51576334
  O     15.63918298      8.72199426    -13.58644442
  H     14.21957086      8.63966396    -10.79359258
  H     17.19476592     11.54016743    -11.76953212
  O     11.08158254      7.96335894    -10.80935423
  H     13.54096704      9.63028977    -11.77506982
  H     17.10016329      7.73964574    -13.43763866
  O     19.34659488      9.20356523    -12.19963154
  H     15.13809648      8.03318891    -17.73621931
  H     17.65736328      6.38504835    -12.93061329
  O     11.26160884      5.73722051    -12.66810695
  H     14.15397803      9.18841666    -17.40227110
  H     18.40136387      9.01962648    -10.54239968
  O     17.67147901     11.50031853    -12.60851874
  H     17.36800098      4.19139803    -11.62364331
  H     17.27485822      9.76476653     -9.81475457
  O     17.90216144      7.19479521    -13.39432490
  H     16.83003097      5.52319471    -11.04388931
  H     12.18850125      8.92308950    -15.98989828
  O     17.77890432      8.94310341     -9.80954109
  H     16.57284403     11.45419990    -13.97572355
  H     12.78119342     10.33811154    -15.87361784
  O     12.64908068      9.60881608    -16.48933214
  H     16.41321369     11.00831897    -15.47137335
  H     12.76959618      7.25223223    -10.23116143
  O     13.70381306      7.01232627    -10.23139960
  H     16.02582190      5.56458767    -17.85447699
  H     13.83845794      6.42809093    -10.99399097
          69
 Energy    -248.94121268899778     
  O      0.97759295     -0.70577373      5.92529446
  H      0.44571074      0.01253622      5.53923754
  H     -1.35745294      1.38702142      1.37179607
  O      2.93280765     -1.40620848     -1.71987013
  H      1.28596564     -0.39467901      6.77225422
  H     -3.71532611     -1.22273180      4.09199994
  O     -1.14049729     -2.64259056      5.37039041
  H      2.81642347     -2.32091070     -1.43231467
  H     -3.39589136     -0.07866053      5.07061043
  O      0.58665038     -0.51399762     -0.63771120
  H      3.59668240     -1.02409890     -1.13116329
  H      1.33070992      2.00415122      2.34802268
  O      2.36298220     -3.92716177     -0.43594603
  H     -0.45161407     -2.06692736      5.71995916
  H      0.02849618      2.77030164      2.08329802
  O      3.75871227     -2.76829050      1.58132248
  H     -1.95117847     -2.11164911      5.33806209
  H     -0.85167806      1.62028586     -2.49654880
  O     -3.78500179      2.49367180      2.43856440
  H      0.19405484     -1.34744688     -0.35018120
  H     -0.52317281      0.64077095     -1.34417716
  O     -0.50679616      1.20761784      4.68698353
  H      1.39270678     -0.74324655     -1.12533771
  H     -2.28652237     -0.41739996      2.39054926
  O      4.49714901     -0.27034920      0.39117599
  H      2.86094558     -3.58061500      0.32665305
  H     -1.11463908      0.23177433      3.20604245
  O     -5.33038192      0.75328604      0.80888587
  H      2.72765953     -4.78613683     -0.63256517
  H      0.57112816     -3.47865950     -0.15599427
  O     -3.92593637     -1.25453479      2.20131077
  H      4.18534543     -1.98684375      1.20873729
  H     -0.29338933     -3.09266498      1.07854546
  O     -1.41738035      2.26402621      0.96000052
  H      3.26247735     -2.45281364      2.34837328
  H      1.25099017     -2.07956541      3.19944506
  O     -3.39220281     -1.03842060      4.98345023
  H     -2.98722455      2.58116977      1.89924107
  H      1.86257111     -1.29672400      4.37373448
  O      0.73606696      2.66178909      2.73290919
  H     -4.40586871      1.98498276      1.90396140
  H     -3.67910181      2.43791301      5.58963430
  O     -1.18690366      1.27113828     -1.67491463
  H     -1.39061488      1.54123647      4.88654749
  H     -3.44895396      2.11654429      4.09481894
  O     -1.35887472     -0.14552087      2.34943903
  H     -0.05541548      1.83213119      4.09756152
  H      2.07060024     -0.20917571      2.26207707
  O     -0.27577437     -3.09841543      0.10712916
  H      3.70877628      0.10662293      0.81786506
  H      1.49255618      0.18522562      0.86934973
  O      2.03991045     -1.58807372      3.47150285
  H      5.19615219      0.37074686      0.48904294
  H     -0.68664576     -2.87428649      3.66955640
  O     -3.20080382      1.86009597      5.00113312
  H     -4.75393550      0.53321235      0.05443528
  H     -0.71320039     -1.79511175      2.56366744
  O      2.10930980      0.45841822      1.56183933
  H     -6.21538673      0.83919413      0.46539363
  H     -2.03565390     -2.86579043     -0.10381089
  O     -0.39339165     -2.68818099      2.76518638
  H     -4.51359828     -0.59634564      1.80723069
  H     -3.40938247     -3.46490556     -0.46104479
  O     -2.98722492     -2.67544855     -0.12891739
  H     -3.65216988     -1.84388254      1.48787194
  H     -2.82867521      0.40235983     -1.38026918
  O     -3.63279890     -0.06735990     -1.12815996
  H     -1.36727026      2.11375683      0.01007325
  H     -3.36731597     -0.96496800     -0.89277743
          69
 Energy    -248.94111726410000     
  O     12.13834204     10.51599971    -15.03407003
  H     12.78810384     11.22460423    -15.06913571
  H     20.93368169      8.04238682    -14.63758546
  O     16.37004778      5.88996973    -13.76450669
  H     12.57468104      9.75779776    -15.44879960
  H     15.57342946     12.15038990    -15.50489048
  O     17.31953720      9.88678735    -11.61818719
  H     15.54921853      5.89837205    -13.25257988
  H     14.48294452     11.46059772    -16.32901520
  O     17.44247287     12.19955879    -15.66963119
  H     17.06291898      6.28982084    -13.21829672
  H     16.05785038      7.51132697    -14.48389217
  O     14.23344090      8.22307573     -9.16560203
  H     17.12709515      9.77929010    -10.67885854
  H     16.77855302      8.47718209    -15.44324080
  O     14.04051489      6.22409723    -12.30253089
  H     16.49732046     10.13267677    -12.06588593
  H      9.99993323      9.27050806    -12.98722949
  O     15.11696109     10.33347664    -13.22389132
  H     17.93240820     11.70377269    -14.98987630
  H     11.26558824      9.64646236    -13.79613022
  O     17.14789909     10.15614331    -17.66258255
  H     17.93155800     13.00476107    -15.82013768
  H     17.83564502      6.70252747    -10.66082538
  O     14.91405342      5.48190872     -9.74387200
  H     13.82596096      8.51986226     -9.99184791
  H     17.31081466      7.44846267     -9.42091951
  O     18.35047113      8.03205594    -16.46517385
  H     14.32795027      7.26636332     -9.24540398
  H     11.60179543      7.37997773    -13.95386035
  O     17.09884857      5.55798543    -16.44904079
  H     14.25616378      5.83534359    -11.44512564
  H     12.73787792      6.36634194    -13.72524273
  O     20.04183182      8.25904015    -14.37971970
  H     13.82658156      7.15177031    -12.12605786
  H     18.38263828     10.59363331    -12.97284390
  O     14.63003013     11.93740064    -15.50142144
  H     15.46574636      9.61734908    -13.77965831
  H     19.34597067     10.00705075    -14.01803597
  O     15.99009853      8.38186738    -14.89830559
  H     14.86163022     11.02083430    -13.84816677
  H     18.97862846      7.55150022    -12.99778086
  O     10.90982591      9.02725142    -13.13336953
  H     17.30579391     10.88467621    -17.04856920
  H     17.90266451      8.22309012    -12.12057448
  O     17.40563526      6.56854282     -9.80636272
  H     16.20352840     10.17819506    -17.85697148
  H     15.80419465      8.93483275     -8.97553458
  O     12.15487521      6.72953985    -14.40383475
  H     14.90200001      4.69730102     -9.20268269
  H     16.86081369      9.67356364     -8.11782171
  O     18.82220817     10.78940807    -13.81076409
  H     15.83706604      5.79292886     -9.76780582
  H     13.97108328      9.53206119    -17.39637853
  O     18.27181490      7.36254277    -12.36893359
  H     17.93521477      7.17456942    -16.63670599
  H     13.70089666     10.47913906    -18.58677812
  O     16.73075259      9.23574112     -8.95444214
  H     17.98983164      8.70525988    -17.06114910
  H     13.89450973      9.45120121    -12.22346855
  O     14.30489150     10.31455589    -17.86685436
  H     16.84034425      5.52124565    -15.51468419
  H     12.42930429      8.94739608    -12.08879030
  O     13.31593898      8.86493962    -11.71644767
  H     16.44603406      5.04599680    -16.92066385
  H     13.00706372      7.67021422    -15.68636661
  O     13.53152552      8.32026888    -16.17510590
  H     19.48544278      8.15323169    -15.17273481
  H     14.40861320      8.32447336    -15.76481178
          69
 Energy    -248.94093631834946     
  O     15.80658655     11.37900901    -15.84479115
  H     15.70083033     10.86066359    -16.64984964
  H     14.18488316      3.77952025    -17.89728649
  O     13.75066490      6.58967887    -15.71422814
  H     15.04671335     11.17444731    -15.28442104
  H     18.37913369      8.31490228    -17.85325787
  O     18.70178088      6.90905085    -12.95968072
  H     13.83664933      5.86538698    -16.34567689
  H     17.41267700      9.47291991    -18.12619238
  O     18.20575431      6.52946988    -16.90706606
  H     14.63582077      6.98009027    -15.62979057
  H     16.57205572      8.37754667    -14.80595120
  O     15.94705995      6.76449223    -18.74227551
  H     18.21800106      7.74685980    -13.03280871
  H     15.99475862      8.50321659    -16.25261100
  O     15.59717920      8.14569786     -9.67293073
  H     19.37082111      6.92413992    -13.65320017
  H     13.95351840     10.05706215    -13.39993392
  O     14.27165289      6.31161537    -13.03919648
  H     17.50505772      6.95554586    -16.38450456
  H     13.01322574     11.23515650    -13.72630400
  O     17.20233088      9.16515084    -13.27355471
  H     19.02187609      6.64220417    -16.40416783
  H     16.44697314      3.26171903    -10.11439631
  O     16.71176050      4.25349370    -15.99587418
  H     15.36093526      6.04722964    -18.47058284
  H     15.64357453      4.54770395    -10.42888954
  O     14.27058173      5.64700443    -10.31529141
  H     16.80590425      6.54185130    -18.36584312
  H     13.08561450      8.24371671    -16.27890003
  O     19.79237869      9.80751960    -15.72018829
  H     16.41770767      7.66374314     -9.88247025
  H     13.10534249      9.67184510    -15.70563677
  O     14.50444442      4.59767362    -17.52754099
  H     15.72057133      8.53302439     -8.81048524
  H     20.21932716      8.17944604    -15.35168759
  O     18.34666187      9.26503837    -18.01520843
  H     13.86786283      6.32844257    -13.91644070
  H     21.30799877      7.07864536    -15.32963300
  O     16.22054764      7.87709795    -15.55152381
  H     15.12642864      5.86942849    -13.14520184
  H     16.69218742      4.50976106    -12.42027122
  O     13.64729477     10.63643195    -14.11529986
  H     17.48516418     10.05758175    -13.50860895
  H     17.43451157      5.62307945    -13.20475326
  O     16.48376074      4.08381096    -10.59518215
  H     16.34566366      9.20751389    -12.82999425
  H     17.46662034      5.71402215    -10.29985290
  O     13.03706926      9.17691534    -16.53016165
  H     16.68814038      4.40097164    -15.04085999
  H     18.24873766      6.74694119    -11.13023103
  O     20.37246837      7.22517898    -15.21832451
  H     17.36599634      4.87121776    -16.34306810
  H     14.90319595      8.79634822    -11.26018420
  O     16.72167767      4.97106598    -13.26772463
  H     14.06408474      5.82131850    -11.24477303
  H     14.47803997      8.02607438    -12.53162936
  O     17.77038821      6.63034503    -10.29946140
  H     14.57858301      6.48885597     -9.95928035
  H     18.21012862     12.51135772    -14.12122119
  O     14.65559838      8.91479677    -12.18643424
  H     19.30935969     10.46491748    -15.20979677
  H     17.26002858     11.59624817    -14.93371111
  O     18.02565904     11.60007288    -14.33036937
  H     19.33737989      9.74890825    -16.57409016
  H     15.54622842      8.48287147    -18.29756119
  O     15.43048752      9.33420696    -17.84657392
  H     15.27680743      4.37734091    -16.97486794
  H     14.51406463      9.35379213    -17.52700214
          69
 Ord_Energy   -248.940567    
 O   -11.6301975      -1.97131813       1.63260949    
 H   -12.4523964      -2.43548489       1.76619542    
 H   -11.7989187      -1.03292704       1.83686244    
 O   -4.35947180     -0.712724805      0.710654438    
 H   -4.64120483     -0.930827737       1.61276019    
 H   -4.33756399      0.254306108      0.651923478    
 O   -4.84062767       1.99579668      0.661500752    
 H   -5.37318754       2.43471479      -9.14399978E-03
 H   -5.34721184       2.07436895       1.48276258    
 O   -6.20085669      0.347504079       5.14405632    
 H   -7.16820526      0.271394998       5.23844719    
 H   -5.84590483      0.471833050       6.01977205    
 O   -10.3669415      0.183927044      -2.19857478    
 H   -11.0348568       3.30015495E-02  -2.86197805    
 H   -10.2422295     -0.662885308      -1.73260725    
 O   -10.6085548       2.19058251       4.23993587    
 H   -9.98203373       2.74664497       3.74428988    
 H   -11.0789022       2.77374315       4.83079958    
 O   -5.37890482      -1.48986554       3.15898943    
 H   -5.62354565     -0.904150963       3.88495660    
 H   -6.16627741      -1.99730444       2.92212343    
 O   -4.73608017      -4.23632240       2.53929234    
 H   -4.61355591      -3.37309790       2.95366883    
 H   -4.56432199      -4.08621025       1.60038066    
 O   -8.88427544      0.134889126       5.21726894    
 H   -9.11405945     -0.611209929       4.64481783    
 H   -9.47334290      0.853893697       4.96037102    
 O   -10.3921986       1.73578870      0.134876758    
 H   -9.93922424       2.57918024       1.75549500E-02
 H   -10.4080143       1.27953684     -0.716637015    
 O   -11.8883410      0.659282327       2.19322205    
 H   -11.5293140       1.11887920       2.96164680    
 H   -11.5198851       1.11782336       1.42461419    
 O   -7.41174841      -3.17299461     -0.404978007    
 H   -6.51321268      -3.51121092     -0.484667152    
 H   -7.30810070      -2.21165800     -0.502609432    
 O   -9.36833763      -1.75159109       3.25446320    
 H   -8.71821785      -2.43521214       3.03610992    
 H   -10.1816463      -1.95560336       2.77723265    
 O   -7.38319969      -3.39833546       2.38348913    
 H   -7.48633623      -3.34949780       1.42307460    
 H   -6.58547497      -3.92080402       2.54155707    
 O   -6.56742382       1.97870362       2.87238765    
 H   -7.21188498       1.39815187       2.43662333    
 H   -6.32534695       1.53913140       3.69570971    
 O   -8.87995434       4.11959934       1.56332906E-02
 H   -8.04000950       3.88027191     -0.407799333    
 H   -9.13448524       4.96685076     -0.342998177    
 O   -6.88651180     -0.507267237     -0.446549952    
 H   -7.45039368     -0.195244417      0.276564419    
 H   -5.98185968     -0.519236147     -0.110318758    
 O   -7.70041847       1.16379988      -2.44841814    
 H   -8.62290382      0.904097855      -2.54397869    
 H   -7.32663107      0.517891407      -1.82841146    
 O   -6.58252811       3.32572937      -1.31184232    
 H   -6.02243805       3.77592945      -1.93937194    
 H   -6.97904015       2.56902003      -1.78217101    
 O   -4.49789286      -3.34786487     -0.203120753    
 H   -3.80702400      -3.55996418     -0.826633453    
 H   -4.36385250      -2.41798282       4.49769907E-02
 O   -8.78236485       3.67519450       2.86569953    
 H   -7.93433952       3.21845078       2.95929408    
 H   -8.84232140       3.91831756       1.93577874    
 O   -8.43717003      0.357670456       1.63004887    
 H   -8.80114651     -0.327085763       2.20460796    
 H   -9.17011929      0.817552209       1.20153677    
 O   -10.0779543      -2.10807180     -0.779696941    
 H   -9.28866959      -2.64993024     -0.670189261    
 H   -10.5737591      -2.14398265       4.76152711E-02
          69
 Energy    -248.94001185555388     
  O     11.63173718     10.49853339    -10.74496156
  H     10.94515159     10.26784394    -11.38296785
  H     17.63453043      6.14682219    -17.83834423
  O     13.13873634      7.53321470    -15.03127344
  H     12.38170480     10.81651566    -11.26459744
  H     14.79892784     12.10566932    -15.05553628
  O     17.36580167      9.21026177    -17.13371721
  H     12.61764650      8.33531848    -14.89489703
  H     15.49610396     13.36253347    -14.47761296
  O     12.01422752      9.98423322    -14.37715654
  H     14.04091011      7.76532738    -14.75675579
  H     15.54846354      8.35231681    -13.16094678
  O     16.40522267      5.35492026    -10.90888863
  H     16.53463974      9.52365245    -17.51328286
  H     16.03884424      7.23020259    -14.14049618
  O     12.98043810      5.95946835    -12.72922558
  H     17.48052075      9.68331346    -16.30085981
  H     11.64888198      8.39619287     -8.36438818
  O     15.56754046      9.14243350    -11.51410314
  H     12.63578908     10.30308331    -13.70597100
  H     11.87892780      9.10340336     -9.72174489
  O     14.76427551      9.75336933    -18.19375971
  H     11.17934321      9.82741398    -13.91931778
  H     17.78550366      6.10653576    -11.85289093
  O     15.01548687      4.05653276    -13.11013788
  H     15.69766871      5.90320026    -10.54699898
  H     18.44660545      7.41428390    -12.36501521
  O     17.23601593     10.27890920    -14.50105492
  H     15.96705491      4.76580002    -11.53438282
  H     11.37779639      6.57127236    -11.97143484
  O     14.31255355      7.15573086    -17.55606726
  H     13.57320350      5.20916119    -12.86236909
  H     11.02969807      7.35319377    -10.68874770
  O     17.12322739      6.50122588    -17.11528643
  H     12.96824902      6.45644207    -13.55928748
  H     19.08546676      9.82904103    -11.81005399
  O     15.40243937     12.42166755    -14.35660812
  H     15.20340313      8.40051639    -11.01067133
  H     18.06671604      9.72415238    -12.96745047
  O     15.61810281      8.09810109    -14.09110203
  H     16.52948743      9.14965715    -11.45341069
  H     17.00207792      5.82579505    -15.42210891
  O     11.96667384      8.25456298     -9.25183633
  H     14.57467083      9.90644012    -19.11601657
  H     17.49367695      5.84327486    -13.91548197
  O     18.37198141      6.46985510    -12.53523270
  H     14.54026291      8.82325247    -18.01274263
  H     14.02019997     10.82754522    -16.86730954
  O     10.67641728      7.08054638    -11.54438890
  H     15.05863061      3.14077653    -13.37281051
  H     12.99760987     10.90991153    -15.69814805
  O     18.32834696      9.33579002    -12.11615700
  H     15.63285024      4.54330716    -13.68435682
  H     13.76852471      6.68136540    -11.23312374
  O     16.77619634      5.58051984    -14.51651627
  H     16.68962795     11.07296675    -14.44221200
  H     13.48230268      7.41969105     -9.90096435
  O     13.69933294     11.39268634    -16.15377554
  H     16.62810678      9.52149126    -14.47774267
  H     14.33323437     11.61429661    -13.00962467
  O     14.18904574      7.03929892    -10.43708170
  H     13.81583571      7.15286628    -16.72595316
  H     14.42675617     10.38136912    -12.07962438
  O     13.80605609     11.01561346    -12.46848977
  H     15.18052366      6.77982588    -17.36990367
  H     10.08768759      8.51871005    -12.34269873
  O      9.84457842      9.38862759    -12.70793635
  H     17.27896747      7.46232679    -17.10999190
  H      8.89448483      9.39976408    -12.78372530
          69
 Ord_Energy   -248.939819    
 O   -5.98500252       1.57419121       5.56971407    
 H   -5.94175291      0.831313729       6.16531038    
 H   -6.89254999       1.92583132       5.61925602    
 O   -8.79166794       7.65847397       1.87047184    
 H   -8.21054649       8.38389778       2.12711477    
 H   -8.41939163       6.84887552       2.25438046    
 O   -7.99750662       1.79043686       1.12101102    
 H   -7.18299913       1.69569027       1.64528763    
 H   -8.12418365      0.962292671      0.664510429    
 O   -5.79200029       1.55716765       2.69725680    
 H   -5.04405880       2.15130138       2.55510116    
 H   -5.86194420       1.45112312       3.65301633    
 O   -10.8087788       5.26756287       4.52616882    
 H   -10.5412550       4.48319721       4.03187704    
 H   -11.0942059       5.90869904       3.86385274    
 O   -7.64237261       5.36558771       2.87524343    
 H   -7.28670883       5.59076023       3.74448776    
 H   -6.90051699       5.26436472       2.26401472    
 O   -7.47732496       6.62210989     -0.478248268    
 H   -8.03229141       7.04161930      0.191279754    
 H   -7.89356375       5.76504612     -0.665986121    
 O   -3.92480230       3.65918422       2.50482726    
 H   -3.09345365       4.14739466       2.50110650    
 H   -4.52258348       4.13390970       1.90664196    
 O   -2.98034430       6.29631329       5.06650162    
 H   -3.50969696       5.52593517       5.31276131    
 H   -3.60894775       7.00581217       4.88628769    
 O   -6.63146353       6.03232908       5.35118198    
 H   -7.40885687       5.82630301       5.88476133    
 H   -6.01161575       5.28896761       5.40243816    
 O   -8.62991238       4.15508461     -0.544927657    
 H   -9.51914883       4.30224419     -0.189882234    
 H   -8.29450607       3.37779737      -8.75508264E-02
 O   -11.3959770       6.98112440       2.33063912    
 H   -10.5077543       7.32266045       2.13033128    
 H   -12.0152092       7.67209244       2.11022258    
 O   -11.0040636       4.51163530      0.882766664    
 H   -11.2556877       5.35532093       1.27545023    
 H   -10.6177158       4.00161743       1.60471058    
 O   -9.41927433       3.29314494       2.97440886    
 H   -8.81488705       4.05421734       2.93329525    
 H   -9.05270481       2.64134026       2.36198592    
 O   -4.72351408       4.04557848       5.17119360    
 H   -5.06871843       3.18986297       5.45348835    
 H   -4.46731281       3.93207693       4.24432850    
 O   -3.78710222       7.29673243       1.72120273    
 H   -4.19486284       7.54636908       2.56420207    
 H   -2.99439096       6.79007959       1.93287122    
 O   -8.44307709       2.67262053       5.57877731    
 H   -8.64887428       3.49439502       6.03874779    
 H   -8.82195187       2.75948787       4.69503355    
 O   -5.65432739       8.74034500      0.155535355    
 H   -6.19256830       8.05598545     -0.263241231    
 H   -4.86838102       8.30113411      0.507184923    
 O   -1.79661703       5.54991436       2.73683190    
 H   -2.10623121       5.82727146       3.61825728    
 H  -0.843991876       5.53691530       2.76797843    
 O   -5.12803602       7.98641443       4.08140278    
 H   -5.70712423       8.62234402       3.64355874    
 H   -5.70607424       7.38211584       4.56982708    
 O   -5.56617355       5.29416084       1.04662740    
 H   -4.94202471       6.00716019       1.24688911    
 H   -6.18214750       5.64593315      0.391036838    
 O   -9.04221916       5.29620123       6.57719135    
 H   -9.47249413       5.50490141       7.40212059    
 H   -9.71865654       5.37200212       5.87985611    
 O   -6.81590700       9.60806656       2.44383764    
 H   -6.89521933       10.5581837       2.46874452    
 H   -6.39738607       9.38351727       1.59236240    
          69
 Energy    -248.93979716228299     
  O     14.61899854      9.47212893    -10.39246308
  H     14.43476619     10.17144076    -11.03500732
  H     16.97830188      4.43637826    -12.60391627
  O     13.01448635     10.89267743    -16.00847406
  H     15.39213461      9.71843515     -9.86853391
  H     12.45286208      7.14685308    -10.70634539
  O     16.79211235     10.95744043    -13.55037412
  H     13.04694555     11.70527087    -15.48808702
  H     13.45530506      8.06921481     -9.98372791
  O     13.80006140      4.94792987    -12.80109206
  H     12.77633619     10.19234275    -15.38801947
  H     18.56547447      7.10976766    -13.95731812
  O     17.30524413      6.98457503     -8.89643426
  H     17.40447188     10.83384484    -12.81123628
  H     17.93302523      7.63814799    -15.25892680
  O     16.03518704     12.87798492    -15.43972638
  H     15.89582318     10.93328479    -13.19215617
  H     14.46129294     13.17976231    -14.73605240
  O     15.97035120      7.70612925    -12.07748322
  H     14.18869007      5.03827561    -11.92128424
  H     13.27433339     14.06761882    -14.28717107
  O     14.11389036     10.99791091    -12.62453787
  H     14.54842229      4.86776713    -13.39967475
  H     12.27303471      8.31115897    -13.43987744
  O     18.74761809      7.67296692    -12.21400859
  H     16.53155307      6.48439650     -9.17879948
  H     13.52892073      8.43350082    -14.31810481
  O     18.41522220     10.35067222    -11.43102557
  H     18.06151982      6.53215182     -9.29006690
  H     15.21665789     10.91441494    -18.30762119
  O     16.29591175      4.97117217    -14.43273469
  H     15.92493249     12.30454417    -16.20751365
  H     14.50584668     10.80358435    -16.93854811
  O     17.23317316      4.25532645    -11.69378564
  H     16.46951824     12.33075112    -14.76930669
  H     10.90742655      6.31117694    -12.55114075
  O     12.99365278      7.22133303     -9.91160753
  H     15.50188696      8.36701369    -11.54943984
  H     12.43136998      6.10560664    -12.68846782
  O     18.20960115      6.82800700    -14.81198841
  H     15.58378045      7.69789135    -12.96009529
  H     15.54335275      6.33660152    -11.02150358
  O     13.57226944     13.16385062    -14.33714260
  H     13.61070985     10.29047506    -13.05464027
  H     14.37404046      6.07948000    -10.04905169
  O     12.78529254      8.94214523    -13.95801893
  H     13.86854581     11.81915117    -13.06755815
  H     18.61145795      5.00783243    -10.88995110
  O     15.37778607     10.83100221    -17.37160905
  H     19.06762509      7.00128556    -11.60071339
  H     19.99695334      4.99714234    -10.19876358
  O     11.74458024      6.76599474    -12.49358781
  H     17.78175983      7.70057894    -12.11809545
  H     15.65782751      8.11375702    -15.13570256
  O     15.18418993      5.67937930    -10.40060290
  H     18.00336866     10.22065908    -10.56906290
  H     15.29717438      6.63666725    -14.80776439
  O     19.26017445      5.56049592    -10.41913575
  H     18.73133428      9.47792418    -11.70233033
  H     17.16303751      8.74005772     -8.91645375
  O     14.98264494      7.54258844    -14.73848294
  H     17.03021871      5.59963247    -14.57252286
  H     17.23860008     10.06878139     -8.13001004
  O     17.03521188      9.70258372     -8.98696827
  H     16.40198213      4.27973657    -15.08255420
  H     16.50278294      9.71599306    -16.38599706
  O     16.93786888      9.21461017    -15.68501794
  H     16.48973397      4.54405830    -11.14613538
  H     16.99014219      9.80622011    -14.91808173
          69
 Energy    -248.93960226687921     
  O     12.46977520     10.10179896    -15.66959728
  H     12.41440262      9.32774347    -16.24256268
  H     18.26220529      6.55750838    -14.86666619
  O     15.55506712      6.14001486    -12.04050377
  H     13.30931653     10.52927595    -15.88082660
  H     16.02739198     11.31581584    -16.36262519
  O     17.64564651     10.26186318    -12.15295302
  H     16.41641781      6.55232504    -11.88263282
  H     15.28833040      9.98052453    -16.53709052
  O     17.76535296     11.71553614    -16.30186788
  H     14.90046584      6.58987228    -11.48677194
  H     13.87625878      7.55552855    -14.19924707
  O     12.65800050      6.18059574    -14.83818267
  H     16.81172779     10.47342017    -12.59803162
  H     15.13953061      7.38873627    -13.33399721
  O     14.74409148     10.73186367     -9.01743698
  H     17.61211895     10.64466800    -11.26852043
  H     11.70151944     10.01415023    -14.10242420
  O     13.68430505      7.63310900    -10.64692860
  H     18.45588555     12.29984128    -16.60182376
  H     10.43285350     10.38448004    -13.30260174
  O     15.25491963     10.59711324    -13.47430819
  H     18.20451856     11.03731220    -15.76117485
  H     17.71947099      7.82927230     -9.95024554
  O     16.88818345      5.91410930    -15.73769846
  H     13.33050872      5.51869357    -14.63598346
  H     17.57890817      9.14857739     -9.16435776
  O     14.90402934      7.98453634     -8.16462734
  H     12.17963081      6.39396130    -14.02090223
  H     12.23312014      7.20323429    -11.80512978
  O     14.87236615      4.53578563    -14.13945334
  H     14.67597460      9.85909306     -8.61152446
  H     11.39380130      8.08385480    -12.75554063
  O     18.99538674      6.94045776    -14.35463395
  H     14.19037039     10.70521717     -9.80956699
  H     18.95586792      8.87818568    -14.65169182
  O     15.15902459     10.89753411    -16.26066633
  H     13.99541934      7.66283946     -9.73331711
  H     18.59539853     10.06952780    -13.74959020
  O     14.70984671      7.97930266    -13.96379506
  H     13.63700813      8.55104737    -10.95010985
  H     17.79848153      8.48377872    -11.92777797
  O     11.26282397      9.91886404    -13.23820915
  H     15.03653479      9.65743300    -13.58767388
  H     18.38654733      7.23734610    -12.62129558
  O     17.44521281      8.19416675     -9.09997227
  H     15.27102269     10.94766879    -14.37212827
  H     17.75441481     11.76338091     -8.96031753
  O     11.61649356      7.16713570    -12.54718322
  H     16.20750209      5.39652294    -15.29370032
  H     16.44006277     11.01965851     -9.30113132
  O     18.89374257      9.83883453    -14.63977811
  H     16.42641448      6.59600038    -16.24352549
  H     15.23252688      8.07459103    -15.70556086
  O     17.91635549      7.52672219    -11.82912282
  H     14.89112359      7.58846957     -7.29783625
  H     14.45259061      7.89300144    -17.02392159
  O     17.39876600     11.04200871     -9.47193234
  H     15.83191777      7.98417487     -8.46225881
  H     14.08275769     10.56878217    -12.10730623
  O     15.33257310      8.07720675    -16.67109548
  H     15.13467475      5.00452131    -13.32780122
  H     12.58266419     10.26738431    -11.95563749
  O     13.40768563     10.32286774    -11.45811492
  H     14.92262183      3.60285411    -13.94600712
  H     12.00153139      7.25707489    -17.80022495
  O     12.56530129      7.63293642    -17.12959521
  H     19.78926588      6.49726653    -14.64333002
  H     12.51549934      7.04500125    -16.35496633
          69
 Energy    -248.93955575075410     
  O      1.02055887      0.14993091      3.06271694
  H      1.15246183      1.09540636      3.20553557
  H     -2.68058271      0.59873039      6.79939210
  O     -2.94574138      0.26398075     -3.09895410
  H      1.40596178     -0.08891174      2.20544902
  H      0.64166738      3.24029896      1.63476130
  O     -0.39106039     -1.40409923      4.92994648
  H     -2.06782224      0.59426850     -2.86634528
  H     -0.47434096      3.07564674      0.57765166
  O     -4.23448281      0.45287964     -0.67419533
  H     -2.85960979     -0.69745300     -3.10432271
  H     -2.89882990      1.53168964     -0.14614417
  O     -2.61630911     -2.55273747     -2.55089198
  H     -0.91721399     -0.73951801      5.38882346
  H     -1.44440106      1.68015858     -0.60712016
  O     -0.29449461     -1.82351631     -1.02395869
  H      0.22074162     -0.91921101      4.35904002
  H     -0.66016833      0.15221262      2.43171237
  O     -3.59344349      2.94253526      2.34113255
  H     -3.94974423      0.51851531     -1.59784919
  H     -1.66872216      0.75307958      1.39754569
  O     -4.22996428     -2.80959045      3.76874837
  H     -4.12580208     -0.47918548     -0.44057073
  H     -3.17226462     -2.46072131      0.42029855
  O      0.95527599      2.94562887      3.43348162
  H     -2.87810170     -3.32106605     -3.05252999
  H     -4.72454155     -2.37886523      0.44494924
  O     -0.44752297      0.84999997     -1.85821505
  H     -3.17083875     -2.53935614     -1.75308838
  H      2.00893897      0.30990388     -0.03363895
  O     -3.67012319     -0.08852448      3.79375344
  H     -0.91287954     -2.14591829     -1.69079634
  H      1.26743121     -1.03874792     -0.04366905
  O     -2.20568992      0.58808105      5.97201122
  H     -0.64889365     -2.14625566     -0.18241539
  H     -2.32238164      2.91139375      3.70876525
  O      0.45506728      3.30060645      0.68860279
  H     -3.09846765      2.81745750      1.52272786
  H     -1.77868116      2.15300308      4.95037575
  O     -2.06662122      1.97673834      0.07406658
  H     -4.36946269      2.37975623      2.26143122
  H      2.70888967      2.46439651     -1.41550304
  O     -1.54894949      0.06512761      2.06110645
  H     -3.37759631     -3.25296289      3.83799974
  H      1.52114222      2.49117177     -0.42051699
  O     -3.95410259     -2.30451010     -0.13089032
  H     -4.03544150     -1.86952741      3.89809684
  H     -1.05910374     -4.41279426      4.25340073
  O      1.82271728     -0.47155309      0.50210752
  H      1.46474346      3.52903219      3.98909346
  H     -1.08389363     -2.86779938      4.29285586
  O     -1.57137309      2.84668696      4.31453532
  H      0.04232959      2.95342013      3.77759550
  H     -1.59795473     -1.60547362      1.57781263
  O      2.01220305      1.92874678     -1.04705393
  H     -0.37600494     -0.06544024     -1.55052180
  H     -1.52241641     -3.05643862      2.11397342
  O     -1.49002428     -3.65024091      3.87722004
  H      0.43093503      1.23931227     -1.77237660
  H     -5.41057343     -2.53480786      2.52227811
  O     -1.61213838     -2.53783526      1.30686169
  H     -4.38844068      0.23809842      3.23892284
  H     -6.82294906     -2.71398984      1.91500651
  O     -6.00080103     -2.24406670      1.80312648
  H     -2.87509047     -0.02719257      3.24080388
  H     -5.86198159     -0.27326491      1.85405031
  O     -5.50534447      0.62353479      1.81834989
  H     -2.84828519      0.34413795      5.28254415
  H     -5.17128317      0.71504233      0.91456507
          69
 Energy    -248.93950264363235     
  O     -1.35453308      3.22475870      2.76112216
  H     -0.82572225      3.79109573      2.17593271
  H     -0.49044940      7.54827721     -0.33314844
  O     -2.98606904      5.44364215     -0.42448194
  H     -2.08983164      2.92912206      2.20954273
  H     -0.80798067      2.90719907     -2.06990765
  O      3.38171581      6.76339196      0.13734366
  H     -3.07169370      6.05650162      0.31823145
  H     -1.43264505      3.42519856     -3.39219058
  O      1.82417050      8.45756550      1.83274213
  H     -2.15751339      5.67010680     -0.86201447
  H     -2.21282134      0.84585695     -1.92426904
  O     -0.35063419      5.96859223     -1.48412525
  H      3.56726331      5.93679212      0.60755423
  H     -2.96290418      1.36135124     -3.17258719
  O      1.64277410      2.54998272      0.28228453
  H      2.95689296      7.36215988      0.76029413
  H      3.19495141      3.91795159      4.87190607
  O      0.20803344      4.76102825      1.04688911
  H      1.99049849      9.38135109      2.00006182
  H      2.19295040      3.40470342      3.80986354
  O     -2.88901587      7.23192539      1.73044697
  H      0.99410066      8.40645758      1.32534881
  H     -4.93403001      3.34763528     -1.85018447
  O     -0.91973901      1.67794899     -0.75593672
  H     -0.53760098      5.14841013     -1.96801955
  H     -4.15079111      4.67282752     -1.71730372
  O     -1.73257675      5.84712200      3.73717328
  H      0.54110360      6.22237141     -1.76391880
  H     -3.62132244      3.44161367     -3.62959884
  O     -3.06603414      2.82869155      0.63943657
  H      1.91855215      2.74021582     -0.62751945
  H     -3.35216888      3.10442568     -5.11782216
  O     -0.49886448      8.11258624      0.44746693
  H      1.17066266      3.34299626      0.58679018
  H      0.27629431      2.35331722      3.12316661
  O     -0.72413106      3.58394071     -2.75783452
  H      0.52920945      5.36863940      1.72626947
  H      1.44170301      2.01604190      2.16954268
  O     -3.01754732      0.72809759     -2.44579154
  H      0.03993988      5.26229302      0.24292014
  H      2.30972075      4.40897522     -2.29503987
  O      2.73174556      4.17096210      4.07802559
  H     -2.51190951      6.73696613      2.48001685
  H      1.19261316      3.42633823     -2.65386769
  O     -4.61178047      4.10813356     -2.35068979
  H     -3.57649431      7.78906276      2.08570484
  H      1.42260636      7.02607124      2.94805429
  O     -3.01016745      2.98561638     -4.23622709
  H     -1.59410786      2.04514262     -0.16614541
  H      1.67347577      5.63207307      3.63835117
  O      1.21858949      2.13562529      3.10060992
  H     -0.06390738      1.77564294     -0.32468477
  H      3.52501530      4.28263457      2.34871678
  O      2.08061770      3.47229287     -2.27671467
  H     -1.76124965      4.89093295      3.60482283
  H      3.22348452      3.62219223      0.99521422
  O      0.99799824      6.23381208      3.29936347
  H     -0.79206119      6.07505800      3.73712451
  H     -5.78487571      1.03680306     -0.81849903
  O      3.72681582      4.33215188      1.40649092
  H     -3.04085494      3.73492910      0.30159457
  H     -4.39709839      1.22617642     -1.48076070
  O     -5.07391240      1.66133934     -0.93100720
  H     -3.82955075      2.39808424      0.23669959
  H      2.72808428      6.53049899     -1.39985791
  O      2.27505911      6.36207987     -2.24712732
  H     -1.31761390      7.90336637      0.91512850
  H      2.74691958      6.84979690     -2.91609135
          69
 Energy    -248.93937196885332     
  O     12.90460758     11.57343385     -8.73427628
  H     12.12700300     11.72751623     -9.28735093
  H      9.60726910     12.70357208    -13.67070988
  O     11.04923750     10.58444516    -15.43456624
  H     13.49016426     12.33244175     -8.85009722
  H     16.76426958     12.08402037    -16.49394165
  O     14.16815460      9.43649257     -9.80082744
  H     11.21762423     10.78656051    -16.36348076
  H     15.65055718     13.14273232    -16.52921308
  O     17.43721874     12.49599826    -13.02871451
  H     10.84291165     11.42834364    -15.00710435
  H     12.91881878     13.04313357    -12.66563198
  O     10.92049224     11.68269584    -10.73733911
  H     14.41429957      8.78895236     -9.14561381
  H     11.77822956     13.03875558    -11.62489333
  O     12.08229268      9.31355284    -11.72556638
  H     13.71243753     10.15775217     -9.32783699
  H     11.91903760     13.13171553    -17.00851675
  O     13.26270467      9.51135233    -14.20703928
  H     17.08619231     13.38754734    -13.14377528
  H     11.30685134     13.72884590    -15.72846929
  O     14.36377769     15.14898073    -11.31424135
  H     16.98828234     12.12151293    -12.25965493
  H     13.85232317     11.10401184    -13.64582719
  O      9.65700900      9.38733068    -13.26390162
  H     10.04109211     11.76116624    -11.12522668
  H     14.73942404     11.81576805    -12.58095684
  O     14.50897323     13.88459813    -15.28064115
  H     11.30734675     10.87277454    -11.10287224
  H     17.49681890     11.43269781    -14.40140942
  O     14.38108389     10.67719249    -17.83844399
  H     12.53450969      9.30600342    -12.58234514
  H     18.48626323     10.73916242    -15.35783145
  O     10.34511890     13.01533378    -14.20753920
  H     12.77190014      9.20804007    -11.05959546
  H     12.74196661     11.17201500    -17.96897115
  O     16.21919808     12.60236526    -17.09600039
  H     13.99701075      9.25778382    -14.77827977
  H     11.50365084     11.40161102    -18.86886266
  O     12.23823714     13.60316895    -12.26115907
  H     12.52935091      9.83057325    -14.75477526
  H     15.30282807     10.69514392    -10.68451263
  O     11.99371130     13.86995621    -16.39144172
  H     13.54146047     14.78397865    -11.67050938
  H     15.51024146     12.20127254    -10.40707317
  O     14.16087791     11.96557000    -13.33906575
  H     14.99064433     15.19097844    -12.04599853
  H     15.96958245      8.18374774    -15.92868757
  O     17.55522363     10.85628545    -15.18340989
  H     10.05283417      9.63005144    -14.11192868
  H     16.23473101      9.65288027    -15.53203330
  O     11.81144695     11.46206661    -17.96891831
  H     10.39366579      9.16570719    -12.68036652
  H      7.64100730     11.67156963    -12.21580949
  O     15.70375765     11.49682008    -11.04113256
  H     13.64659381     13.99972082    -15.70381356
  H      8.85745921     10.83475580    -12.68221807
  O     15.53738424      9.01913115    -15.76595049
  H     14.41750185     13.15065692    -14.65439248
  H     16.65321765     15.82030224    -13.86287421
  O      8.58149882     11.71399113    -12.36520999
  H     14.69453894      9.99153204    -17.24109658
  H     15.59303126     14.74958327    -14.20517136
  O     16.19996728     15.05846860    -13.50982899
  H     15.00895823     11.40728902    -17.72989079
  H     15.39198863     13.99304702     -8.56997456
  O     14.92167034     13.52337922     -9.25336595
  H     11.00203723     13.34714903    -13.57811784
  H     14.71591777     14.17225019     -9.95042388
          69
 Energy    -248.93895807957443     
  O      9.85885364     12.64228605    -10.71357561
  H     10.57218763     13.07715487    -10.23508343
  H     12.54774636     12.64994095    -12.56743804
  O     13.20099578      8.55949986    -16.49493324
  H     10.14497367     12.56962131    -11.63459844
  H     16.94208269      9.86770102    -10.83967856
  O     10.50164695      8.33574029    -10.82394761
  H     13.21482588      7.92368167    -17.20469930
  H     16.55883418      9.39478586     -9.40822526
  O     13.94475684      8.72033839    -13.78205630
  H     12.27066358      8.81870957    -16.36469216
  H     14.29402790      8.01681982    -12.13440035
  O     13.81107791     11.35861115    -16.26892362
  H     11.10680181      7.87196481    -10.23451434
  H     15.27655042      8.19636411    -10.91829973
  O     11.27464321      9.45686079    -13.18001607
  H      9.96902051      8.93326213    -10.28534712
  H     13.25563017      7.20241427    -10.04656127
  O     13.51848119      8.87937758     -7.47059477
  H     14.40361057      9.57265417    -13.77389033
  H     12.57346465      6.02090483     -9.31850723
  O     13.46587241     10.46260675    -10.51700142
  H     13.76956205      8.51019843    -14.70758908
  H     16.93942734     12.13048373    -11.62418739
  O     11.66302060     10.78333922     -8.36401782
  H     14.38767451     11.40547634    -15.49595216
  H     18.25574003     11.57238885    -12.21751287
  O     15.94028910     13.41047973    -10.97173434
  H     13.71702874     10.41889637    -16.46927067
  H     10.96494272     12.37627750    -14.21866869
  O      9.10598613     10.37993223     -9.41279443
  H     10.96298307      9.01894107    -12.37471443
  H     11.03799308     11.22343049    -13.18702906
  O     13.37682422     12.67800382    -12.07002598
  H     12.19194709      9.19134640    -13.31819585
  H     15.40508290     11.53375943     -8.16552293
  O     16.66063491      9.10377136    -10.32274947
  H     13.21532249      8.14218814     -8.01419263
  H     14.46930519     11.52783935     -9.36884730
  O     14.39846008      7.87896204    -11.18364392
  H     12.86033339      9.57644771     -7.59637317
  H     14.54018057     11.81021044    -13.25921732
  O     12.58803497      6.97321736     -9.37556744
  H     13.78773835      9.57930359    -10.72553322
  H     15.96923505     11.21690807    -13.27846670
  O     17.35312803     11.33994751    -12.01403969
  H     12.74750767     10.37462759     -9.87770250
  H     11.10219530     12.97191792    -16.75259408
  O     10.96420955     12.18773259    -13.27272027
  H     10.74360965     10.59321602     -8.58954307
  H     12.20267064     12.06120848    -16.15894103
  O     14.90322203     12.12375422     -8.73886364
  H     11.81883807     11.70907683     -8.58899042
  H     16.54022490      9.57428722     -6.81568878
  O     15.13589736     11.24191563    -13.76469371
  H     15.10361915     13.42990728    -11.45098221
  H     15.16611482      9.45131717     -7.51347090
  O     11.27418029     12.33861536    -16.06098414
  H     15.71454662     13.09108242    -10.08575887
  H     13.24486792     13.19393723     -8.93371563
  O     16.05788807      9.83648574     -7.59500332
  H      8.20477790     10.43544598     -9.10733669
  H     12.67814238     13.32281182    -10.34129933
  O     12.41931893     13.35338233     -9.41103221
  H      9.28129581     11.18994248     -9.92518533
  H     10.72906992     10.45450306    -16.06874990
  O     10.72019929      9.50167325    -15.91922509
  H     13.41255382     11.85479587    -11.55101205
  H     10.73216796      9.39177738    -14.95711861
          69
 Energy    -248.93873294329157     
  O     13.69359065      4.32137806    -16.13930866
  H     13.80173437      4.22677560    -15.18511444
  H     18.77247322      7.04590487    -17.04926363
  O     18.06685172      6.37470703    -12.18631139
  H     13.46109459      5.25052341    -16.28035134
  H     15.19120924      6.86452736    -15.79368408
  O     16.06479744      6.57928814    -18.96533188
  H     18.90796666      6.54249102    -12.62950419
  H     16.12037184      7.26851393    -14.61889940
  O     14.22573049      5.84826825     -9.96699407
  H     17.67605467      5.58581782    -12.59328319
  H     11.14529365      8.24172717    -13.92407744
  O     14.10210955      4.44607679    -13.31911255
  H     16.88291315      6.86119649    -18.53994316
  H     12.55303749      7.77499860    -13.51667671
  O     16.14365404      8.19591787    -13.04830192
  H     15.91323976      5.66466373    -18.69660248
  H     16.84321026      3.89317366    -10.18678516
  O     17.38428187      4.40351298    -15.95021149
  H     15.17491714      5.86618953     -9.79343988
  H     16.82985337      3.28264101    -11.59595226
  O     13.88460981      3.11949794    -10.82714859
  H     14.00621255      4.92354669    -10.13589005
  H     12.91060568      7.51091991    -15.68302400
  O     19.29224507      9.09778286    -14.98836643
  H     13.92984445      5.36643781    -13.07631523
  H     13.58212403      7.67312072    -17.09508104
  O     15.57331534      3.90191313    -18.03147288
  H     13.88905076      3.91308591    -12.54260160
  H     20.02198021      7.79477740    -14.10161805
  O     19.79747968      5.77543572    -16.28721414
  H     16.90177082      7.71323751    -12.69139845
  H     21.26453586      7.12989874    -13.46168965
  O     18.06695620      7.69436996    -17.19470187
  H     16.43691991      9.03620823    -13.42204993
  H     17.16700249      4.01261390    -14.18117098
  O     16.09923302      6.81061001    -15.46712031
  H     16.90036403      4.04574583    -16.70323312
  H     15.91246026      4.25717509    -13.31044277
  O     12.03067513      8.12382002    -14.25796978
  H     16.92165227      5.22624631    -15.72013883
  H     17.50196324      6.04151910    -10.50717259
  O     16.60087392      3.09622637    -10.67422559
  H     13.46739270      2.34451653    -10.46144865
  H     17.63744878      6.09767352     -8.96964715
  O     13.46768601      7.07751678    -16.34566828
  H     14.84561920      2.99803922    -10.72512258
  H     14.89252228      7.86260263    -18.78476049
  O     20.34608800      6.98188149    -13.67264219
  H     18.99679163      8.70816325    -15.82039982
  H     13.88499838      8.88285894    -19.36784103
  O     16.87107170      4.12499001    -13.26900468
  H     18.58257223      9.69179036    -14.71803114
  H     13.81035694      6.73695783    -11.46677052
  O     17.09921047      5.74569257     -9.67442298
  H     14.86538624      3.99385649    -17.36694757
  H     14.54969296      7.54546661    -12.57304198
  O     14.29112930      8.59479431    -18.55483900
  H     15.33977687      3.15930913    -18.58158354
  H     16.71974355     11.43164396    -14.27283750
  O     13.72940178      7.07254724    -12.37122175
  H     19.06715970      5.14962675    -16.17357447
  H     16.61075951     10.35645367    -15.37909024
  O     16.88375978     10.51051240    -14.45678084
  H     20.06556425      6.03580877    -15.39923378
  H     15.55818386      9.62623588    -17.53078411
  O     16.34249168      9.94006296    -17.06572773
  H     17.34492890      7.44644456    -16.59234730
  H     17.04143996      9.31573697    -17.29988066
          69
 Energy    -248.93832525988796     
  O     15.45832203     10.22162698    -15.00363674
  H     16.03247748     10.65028996    -15.65060449
  H     18.87935362     11.94858282     -9.89277139
  O     18.10520936     15.39108084    -16.72059654
  H     14.84009061     10.90326154    -14.71344567
  H     22.27612977     15.96634118    -13.40366189
  O     19.64406339     13.45950267    -10.73555168
  H     18.63675934     15.54449721    -15.92495865
  H     21.56736027     16.25363196    -12.06492398
  O     15.34926651     12.92022187    -11.71864201
  H     17.23333792     15.15063911    -16.38945852
  H     20.93376133     12.25481985    -11.22809502
  O     20.62920480      9.28512177    -10.29302593
  H     20.21504797     14.21375749    -10.53955371
  H     21.45047458     10.81878906    -10.95270211
  O     16.06733154     10.42533378    -10.54793352
  H     18.96097218     13.75578551    -11.34815958
  H     16.68045731      9.64922769    -12.12879155
  O     21.11262312     13.38634043    -15.47438025
  H     15.52280191     12.07252430    -11.29012050
  H     16.46285079      9.53556373    -13.67196045
  O     21.63136329     15.41865578    -10.35084128
  H     14.75605140     12.73487041    -12.45657244
  H     18.97147995     14.07415242    -17.49163910
  O     21.11573438     10.94501932    -14.05165903
  H     20.33517257      8.97266273    -11.16810832
  H     19.57811158     13.33330289    -18.70872828
  O     13.93400590     12.53119598    -14.18476817
  H     20.99315976      8.53158327     -9.83696610
  H     22.62972193     14.10847342    -14.76139247
  O     17.40203480     11.88208035    -16.31911289
  H     15.57311768     10.00238889     -9.85068344
  H     24.04326892     14.71516158    -14.87826723
  O     18.51640335     11.08833225     -9.64792918
  H     16.93417209     10.66638116    -10.17253146
  H     20.14545039     15.84863892    -13.83664976
  O     21.56923415     16.48616724    -13.00175534
  H     20.70509950     13.25360057    -16.33842845
  H     18.84520928     14.98871843    -13.67089506
  O     21.65285866     11.63626048    -11.42409743
  H     20.53619220     14.01244522    -15.00924715
  H     22.97578921     12.92063244    -11.46000393
  O     17.10338088      9.39289247    -12.95812413
  H     22.35139662     14.85405952    -10.68746831
  H     23.51806711     13.97634952    -12.44923087
  O     19.44478971     13.26749560    -17.76687266
  H     21.95626834     15.84247791     -9.56089194
  H     20.27195304      9.23336776    -13.41082138
  O     23.33252435     14.55330099    -14.26200205
  H     21.24281587     11.72026613    -14.61402423
  H     18.87504590      8.76279344    -12.91652011
  O     19.48863895     15.31761031    -14.31026844
  H     21.42882372     11.18616979    -13.16656431
  H     19.40223037     11.39096534    -13.85439593
  O     23.44200634     13.76732652    -11.51020667
  H     14.56267345     13.14074327    -14.60594226
  H     17.98766498     10.87722424    -13.43549535
  O     19.82685405      8.63993362    -12.79485492
  H     13.06118347     12.81526462    -14.44552033
  H     16.46283730     13.29616332    -15.66163313
  O     18.47085980     11.63637065    -13.78948476
  H     18.07817704     12.20565694    -16.92422608
  H     16.52303176     14.16293028    -14.38068457
  O     16.02801763     14.02938083    -15.19743034
  H     17.84093833     11.75483591    -15.46308270
  H     17.97660152     13.13781391    -13.10244766
  O     17.64448825     13.96671060    -12.71556679
  H     19.22357313     10.44473463     -9.77905403
  H     16.82221200     13.73880511    -12.25520940
          69
 Energy    -248.93812744639570     
  O      1.04243867     -0.89948779      1.49629335
  H      0.71916788     -0.07582055      1.87609470
  H      2.24457451     -5.66292180      1.26353447
  O      2.58085079      1.61641301      4.25401184
  H      1.19571343     -0.74275674      0.55463924
  H      0.89203247      2.69326990     -2.44213019
  O      0.34988292      1.57930518      2.75315432
  H      3.11486879      0.82409425      4.38294435
  H      1.54549809      2.38532129     -1.07211041
  O      7.43534286     -1.50792878      1.60776873
  H      3.18236582      2.36631518      4.17515745
  H      2.49852328     -0.90264090     -1.48037883
  O      5.45609047      4.36125757     -0.61344434
  H     -0.41525795      1.74895269      3.29481593
  H      1.48993964      0.25945544     -1.60986762
  O      2.87789217     -2.44927919      2.71302325
  H      1.12524503      1.58807689      3.34514349
  H      4.36274791      0.32236499      0.87503211
  O      6.16316209      2.38962931      2.56794690
  H      8.09490663     -2.19083367      1.52334903
  H      4.88607676      1.69194211      1.39753238
  O      4.19293242     -1.69647806     -1.74897842
  H      7.60024383     -0.86453060      0.89382594
  H      1.20634206      2.34327444      1.33787125
  O      3.54223738      4.73916675      1.39172518
  H      5.08300676      3.68860560     -1.19634970
  H      2.63359900      2.09483404      0.77727364
  O      7.72758051      0.29047382     -0.38575369
  H      6.29880559      3.99744878     -0.31688979
  H      3.57495741     -1.47455662      3.98967412
  O      2.14705130     -3.54315414     -1.14631281
  H      2.16800739     -1.90944678      2.32503692
  H      3.85084987     -1.27021264      5.49469378
  O      2.58909683     -4.77450779      1.29266898
  H      2.78755299     -3.34101056      2.35001123
  H      5.70210801     -0.34000764      4.11409292
  O      1.53961766      2.13935837     -2.01481406
  H      6.34874667      1.58673371      3.07945582
  H      6.90625926     -0.56915880      3.16050673
  O      1.60479505     -0.62188299     -1.23910649
  H      5.58723522      2.95800180      3.09298956
  H      3.95973581      4.28377132      2.99147066
  O      4.24304078      1.27863513      0.80915952
  H      4.86190143     -1.17889453     -2.20748800
  H      4.27248712      4.65533814      4.46281329
  O      1.82297364      2.61257373      0.64607955
  H      4.42580052     -1.66647112     -0.80719826
  H      7.23040005      2.82445919      1.26815960
  O      3.97482207     -0.86918265      4.63732824
  H      2.83678236      4.15245227      1.09263759
  H      8.54398952      3.45720478      0.75040843
  O      6.54794660      0.02847438      3.82881736
  H      4.22346623      4.71350286      0.70424733
  H      5.49959544      0.89028632     -2.51930308
  O      4.23127296      3.92164507      3.85583481
  H      7.23738773      0.21518644     -1.21272230
  H      6.41866784      0.34514917     -3.63858564
  O      7.75200657      3.00751414      0.46588570
  H      7.77533114      1.23130970     -0.17555698
  H      4.37397377      1.75997655     -0.91264094
  O      6.11471620      0.17245421     -2.75106673
  H      1.52885653     -2.80601905     -1.13533491
  H      3.42222147      2.10540253     -2.08517293
  O      4.35327116      2.03559610     -1.84370111
  H      2.95933761     -3.15379055     -1.49782991
  H      4.13608814     -1.86432858      1.54994281
  O      4.73613789     -1.44353485      0.92094776
  H      2.41525935     -4.39330123      0.41580310
  H      5.64494424     -1.58024450      1.21469213
          69
 Energy    -248.93791186667147     
  O     16.29958626      9.89409840    -11.31034534
  H     16.86363892      9.26958343    -10.83663951
  H     15.19323491      8.70753489     -6.79146719
  O     18.44509895      3.78826056    -10.62996935
  H     15.92889382     10.49950381    -10.64988509
  H     12.98062171      9.14352986     -7.81856652
  O     15.07789480      5.26423450    -12.50631319
  H     19.14347821      3.31480314    -11.07515944
  H     11.85078349      8.19428365     -8.25472909
  O     13.10371716      6.53985279    -11.03643738
  H     18.26376099      4.58290994    -11.16045372
  H     15.17461029      6.78157773     -5.91527230
  O     17.58584245      7.27750296    -14.38677525
  H     14.98381956      5.49257574    -13.43970711
  H     15.88084718      7.36408223     -4.67443309
  O     15.61464921      3.14388721    -10.67346101
  H     15.96089042      5.56091654    -12.24551526
  H     13.07417866      9.77552398    -11.35470297
  O     16.81082380     10.00502399    -13.99524704
  H     13.68552475      5.99938041    -11.59008323
  H     14.53211170      9.32623058    -11.64218694
  O     18.29961110      7.31638329     -7.16837513
  H     13.16206223      7.44826105    -11.36831930
  H     17.81738713      6.48650163    -12.82036864
  O     15.42647045      4.28714684     -8.17585514
  H     17.41478041      8.22487725    -14.31453829
  H     17.83111986      6.75005845    -11.27568831
  O     17.63861152      7.90435903     -9.88347086
  H     16.78585876      6.89232863    -14.76549634
  H     14.63184126      6.00235553    -15.96515996
  O     15.23897393      6.84258601     -9.29787960
  H     16.57873867      3.19721206    -10.68219175
  H     14.64787547      7.18291039    -14.96366935
  O     14.83121012      9.03657167     -7.62028444
  H     15.31553343      3.72872570    -11.38081176
  H     11.09988933      5.72100810     -8.59188085
  O     12.07198694      9.12711125     -8.14931757
  H     17.24052171     10.82330173    -14.23036666
  H     12.21841190      6.32672941     -9.46266621
  O     15.91446265      7.34735922     -5.62750100
  H     16.66988678     10.02961163    -13.03314336
  H     14.06627331     11.33737996     -9.60732449
  O     13.60586331      9.13024331    -11.83838002
  H     17.48325100      7.31768770     -6.64486456
  H     15.01162235     10.58391158     -8.65605958
  O     17.74956925      6.06423382    -11.95138369
  H     18.99396362      7.61214696     -6.58316437
  H     14.35408417      5.09239574     -6.98161625
  O     14.98277164      6.28211941    -15.12423945
  H     15.34546674      3.79326522     -9.00355188
  H     13.14849800      6.03443955     -7.09119116
  O     11.83434598      6.33046049     -8.57074225
  H     16.36499246      4.27659781     -7.93657623
  H     11.49757971     11.50508662    -10.19238480
  O     14.99259998     11.25757566     -9.35067071
  H     16.76150005      7.50753071     -9.74065134
  H     12.08620961     10.29045932     -9.43257768
  O     13.86673763      5.78105090     -6.50226235
  H     18.06380299      7.85833038     -9.02130655
  H     18.33341598      5.42633728     -7.72056468
  O     12.24278145     10.91174334    -10.16724362
  H     15.31790915      5.97930563     -8.87016701
  H     18.36750134      4.29449703     -8.78719599
  O     18.14202158      4.49387703     -7.86872941
  H     14.51363814      6.77739933     -9.92953688
  H     15.09891819      9.32501071    -14.51281358
  O     14.26982923      8.83134286    -14.55199849
  H     14.92982979      8.29976243     -8.24206319
  H     13.86631874      8.94494620    -13.68128041
          69
 Energy    -248.93779950777449     
  O     11.89448245     10.19671446    -15.37418731
  H     12.31136099     11.06467639    -15.32644438
  H     18.17503885     10.06157731    -12.44625824
  O     17.06475571     11.54682798    -12.04283338
  H     12.48000330      9.64964234    -15.91593188
  H     16.30869805     11.93541799    -16.20416891
  O     17.45244476     11.52779469    -14.85115986
  H     17.12371902     11.30002976    -11.11038793
  H     14.79599617     12.16939387    -16.35257025
  O     13.90139254      5.99474669    -15.81008565
  H     16.11972890     11.53205842    -12.25105713
  H     14.92707364      9.26890743    -15.28469198
  O     14.32773249      9.83022523     -8.73760752
  H     18.27827129     11.05901794    -15.03181982
  H     16.20843123     10.03732053    -14.80090578
  O     14.49591326      7.24579908    -11.36301197
  H     17.42672239     11.70915944    -13.90302311
  H     10.09114687      8.90881639    -13.15115539
  O     14.41415610     11.22149856    -12.84227584
  H     13.45251087      6.19093231    -14.96587712
  H     11.31969926      9.41037265    -13.94584587
  O     17.96379763      8.25480023    -16.74545534
  H     13.55658934      5.16247692    -16.12047635
  H     17.42344325      7.44716955    -10.31293350
  O     14.73135575      7.14398857     -8.55396541
  H     15.18352839     10.20597857     -8.97813625
  H     16.56485726      7.47169366     -9.03257468
  O     19.61384786      9.82404234    -15.29497759
  H     13.76183925      9.90216709     -9.51840394
  H     13.36424882      6.75169612    -12.72716994
  O     16.44442718      6.79827100    -14.85337197
  H     14.51184079      7.04649400    -10.41861496
  H     12.11088400      7.36544758    -13.38547489
  O     18.69575599      9.27125723    -12.63605627
  H     15.41515250      7.24409699    -11.66362041
  H     17.01513516      6.70746532    -13.03567026
  O     15.58267348     11.90905279    -16.84476004
  H     13.85684307     10.78576123    -12.18519263
  H     17.74010627      7.85282231    -12.30866028
  O     15.52860904      9.40273199    -14.53921627
  H     14.76591582     10.50962111    -13.40140804
  H     17.23942186      9.59393707     -9.44364918
  O     11.04420926      8.93305313    -13.14246937
  H     17.29252662      8.67001987    -17.29930230
  H     17.59812211     10.90317906     -8.70946589
  O     17.36403236      7.83743540     -9.43121109
  H     17.50429018      7.62732748    -16.17152801
  H     16.00619432      9.80699078    -19.18913817
  O     12.75866094      6.65732468    -13.47517872
  H     14.54016251      8.09844728     -8.50796217
  H     15.80256450     10.48560434    -17.81297321
  O     17.16693443      7.08238985    -12.16046640
  H     14.32952748      6.74277054     -7.78887372
  H     13.53919951      8.79054807    -11.28038538
  O     17.05417948     10.54931731     -9.40939414
  H     19.08807451      9.22284431    -15.85321373
  H     12.20377686      9.40749551    -11.75727949
  O     15.92031876      9.62548560    -18.25694773
  H     20.50303613      9.81557867    -15.63730879
  H     13.78210336     12.19058604    -14.20305089
  O     12.96958927      9.57074511    -11.19269379
  H     16.16638232      7.69670196    -14.61077357
  H     13.17512635     13.46343057    -14.83536070
  O     13.44306325     12.56906971    -15.03216513
  H     15.65551339      6.36211247    -15.19571925
  H     14.48445209      8.87746088    -17.34820879
  O     13.83377146      8.66815343    -16.66599719
  H     19.11123233      9.41577663    -13.49382523
  H     13.85108882      7.71523361    -16.50599539
          69
 Energy    -248.93765929478502     
  O      9.83312387     12.41902698    -12.63449813
  H     10.39415392     13.20158799    -12.60387839
  H     12.23801951     12.11467770    -14.46365157
  O     14.70332950      7.92328234    -17.17668053
  H     10.01094101     11.99834162    -13.48480923
  H     16.60131826     10.85577002    -11.87643473
  O     11.56554968      8.89218967    -11.52771219
  H     15.31523092      7.50479879    -17.77545687
  H     15.16488950     10.41580833    -11.52380357
  O     14.60503083      8.65475408    -14.45985957
  H     14.72936895      8.87957934    -17.36519295
  H     14.91368132      7.82324305    -12.78504922
  O     12.99499147     13.19238327    -10.34837833
  H     10.92701760      9.46972161    -11.07910407
  H     15.68480302      8.43372608    -11.62315497
  O     14.59436998     10.62161600    -17.43837423
  H     12.04627337      8.38437766    -10.86498270
  H     12.23473835     14.14482907    -11.63337135
  O     11.81816322      8.68061770    -14.23853549
  H     14.72246727      8.27536314    -15.34017030
  H     11.76955915     15.45515079    -12.31444693
  O     13.50346426     10.09299780     -8.30894135
  H     14.91201049      9.56989659    -14.50876909
  H     14.02372192      7.57911153    -10.52857421
  O     13.47982217     10.91782875    -11.85606113
  H     12.48266635     12.95226280     -9.56637567
  H     13.33794409      6.76551551     -9.40615064
  O     11.56814657     11.98576547     -8.29634302
  H     13.16888752     12.35890666    -10.81332907
  H     16.56437644     12.90702418    -11.96472796
  O      9.98564236     10.76162119    -10.39809375
  H     14.91905422     10.99261202    -16.60728459
  H     17.82523799     12.96936906    -12.85366648
  O     13.00673802     12.56560224    -14.08440503
  H     13.65928288     10.85011283    -17.50709160
  H     11.10679816     10.27376509    -14.71312273
  O     16.10179301     10.21681017    -11.35562896
  H     12.78425905      8.68040941    -14.29456752
  H     11.00794633     11.16005364    -15.97510315
  O     15.14821512      7.66521385    -11.86161716
  H     11.60210994      8.62932639    -13.29700952
  H     16.00504988     12.76644779     -9.74311630
  O     11.85008220     14.51456539    -12.44675783
  H     14.40427590     10.42941019     -8.38544251
  H     14.84832397     13.52642853    -10.38992235
  O     13.39289945      7.63745414     -9.78873108
  H     13.48022259      9.24845944     -8.77464963
  H     14.53047311     11.88091378    -14.62695427
  O     17.00740337     12.49489733    -12.72772040
  H     12.80430016     10.23354433    -11.76386517
  H     16.00536077     11.76129582    -14.20479814
  O     10.85593418     11.15779493    -15.02200176
  H     13.30229956     11.40679585    -12.66972853
  H     11.27114741     10.92618638    -18.51967561
  O     15.80718086     13.41595814    -10.42869569
  H     11.23155379     12.10353780     -7.41247369
  H     11.70059868      9.82386388    -17.52212048
  O     15.34847915     11.38933546    -14.80280694
  H     12.23059526     11.27164772     -8.25247398
  H     16.21367856     10.67574177     -9.65235801
  O     11.70825604     10.78514070    -17.68378311
  H     10.41232704     11.24809589     -9.68532432
  H     16.92861129     10.76084390     -8.28297950
  O     16.16249876     11.06663832     -8.76267067
  H      9.85419315     11.38077593    -11.13229065
  H     12.77428393      7.89589151    -17.12176625
  O     11.85064690      8.15273973    -17.00846736
  H     12.67978910     13.35113981    -13.63027199
  H     11.69411481      8.16955476    -16.05396358
          69
 Energy    -248.93746795808994     
  O     12.45649097     11.45172110    -14.95198315
  H     13.34159229     11.83200924    -15.03275861
  H     12.77806353      5.73100439    -15.08867839
  O     14.87337889      6.69830741    -12.94239492
  H     12.39930813     10.73253061    -15.59338084
  H     13.82834414      8.96818570    -15.13509248
  O     17.74760792     10.02402551    -12.54912622
  H     15.82816864      6.72317564    -12.81022147
  H     15.37628339      8.93249751    -15.18659810
  O     16.76571459      9.08724266    -16.40992954
  H     14.68761344      7.42826950    -13.55409682
  H     11.75665261     11.10912010    -13.39954536
  O     11.25514553      6.89194682    -15.20765993
  H     16.80537141     10.26229019    -12.52840880
  H     10.56556923     11.40374565    -12.46239864
  O     15.51141791      9.86628397     -8.90014869
  H     18.03883693     10.04894193    -11.62970650
  H     17.87130608      8.00516444     -9.91138825
  O     13.30366034      7.42586384    -10.81469001
  H     17.22126298      9.85358914    -16.03788153
  H     17.65459501      6.96614750    -11.02235244
  O     15.12360314     10.66128387    -12.59696824
  H     17.27227026      8.29722925    -16.17637803
  H     11.86376527      7.71792176    -12.02268486
  O     15.58028691      5.86492731    -16.79931416
  H     10.40415324      6.48275374    -15.34143708
  H     11.25913295      8.97544630    -12.68923849
  O     15.18077511      7.02334357     -8.74126258
  H     11.24542313      7.26958867    -14.30894490
  H     17.96608147     10.82894652    -14.14961779
  O     17.88693458      6.62694444    -15.65744450
  H     14.72945516     10.16751291     -9.37935009
  H     18.67732681     11.79329023    -15.12201512
  O     13.60489936      5.24389890    -14.99486070
  H     15.35055871      8.93419516     -8.70488915
  H     17.79385426      6.95806944    -13.81076279
  O     14.61879853      8.85414491    -14.59396154
  H     13.84958052      7.12822942    -11.55926817
  H     17.69907582      8.17245582    -12.84544533
  O     11.34640441     10.86332147    -12.55113651
  H     13.80677245      7.20341609    -10.02248990
  H     17.16455539      9.98688075     -9.45873440
  O     17.55781265      7.10630853    -10.07190553
  H     14.51897321     10.56347570    -11.85322792
  H     18.62605179     10.35004322     -9.10959099
  O     11.31111794      8.01413784    -12.75614947
  H     14.84147222     10.03750393    -13.28406838
  H     15.46985935      8.68276636    -17.61423718
  O     17.93150653     11.20320460    -15.04586606
  H     15.19318370      6.55451946    -17.34730881
  H     14.88636674      8.53764911    -19.03692809
  O     17.63293536      7.20841708    -12.89298517
  H     14.87605961      5.56149048    -16.20587765
  H     12.55607756     10.53504795    -11.15762865
  O     18.08712041      9.91579166     -9.76527013
  H     16.02226487      6.95783834     -9.22742070
  H     13.24290277      9.23919531    -10.65122376
  O     14.72332989      8.32230292    -18.12147860
  H     15.23969186      6.41575453     -8.00883459
  H     15.09852738     11.95328008    -13.91749747
  O     13.27003948     10.20687653    -10.59627673
  H     17.06552762      6.26291469    -16.03868866
  H     16.02298123     12.14918448    -15.10574040
  O     15.13624228     12.35367474    -14.79923901
  H     18.60639738      6.11753413    -16.02095086
  H     12.04248286      8.27759881    -16.14441704
  O     12.54034353      9.05039435    -16.44556850
  H     14.01748695      5.57588882    -14.18607329
  H     13.16691408      8.75970546    -17.12031200
          69
 Energy    -248.93704324004619     
  O     -5.20755931      3.87517244      1.53561944
  H     -6.15535462      3.93650993      1.61731468
  H     -0.68598487      1.53169693      4.96202492
  O     -2.50115994     -1.79350590     -1.76237073
  H     -4.84270733      3.93938764      2.43807990
  H     -2.54509735      5.82023612     -0.65404963
  O      0.07496329      4.78087555      0.23640782
  H     -1.54675187     -1.94084433     -1.63007974
  H     -2.12014215      6.46158628     -2.00011440
  O     -2.01399504      2.88715521     -1.79404449
  H     -2.85847267     -2.60126006     -2.12184565
  H      1.41997597      0.21164264     -3.76215909
  O     -0.18523186     -1.49704000      4.09092965
  H      0.45329693      4.05127801     -0.27217461
  H     -0.00511439      0.35725012     -3.17296648
  O      0.47410836      5.23335235      2.95791823
  H     -0.55255537      5.21946546     -0.35044867
  H     -1.98532139      2.34023028      3.44580232
  O     -1.41261114      2.80982657      1.77602762
  H     -1.10823260      2.68617356     -1.51606587
  H     -2.66441569      1.10756681      4.10689974
  O     -2.90498188     -0.61687324      3.63030827
  H     -2.07950140      3.84964138     -1.82708591
  H     -1.14662158      5.81951203      3.29443801
  O     -1.74113805      0.50743293     -3.30753121
  H      0.13470130     -2.35901689      4.34525306
  H     -1.97846505      6.97821082      3.88095269
  O     -2.73270723     -0.60777463      0.78391620
  H     -0.05546260     -1.42335069      3.13097721
  H     -3.18290524      2.32220126     -0.52248861
  O     -0.03088928     -1.01535994      1.37904083
  H      0.95303503      4.46574046      3.29003849
  H     -4.23215115      2.59958931      0.62401912
  O      0.21357689      1.18973420      5.05970163
  H      0.51337219      5.18308723      1.99227952
  H     -3.36576496      4.87875410      3.85695568
  O     -2.01136965      5.68455715     -1.45937793
  H     -2.17436017      2.52735149      1.25369283
  H     -3.54415692      3.39360839      4.22591019
  O      0.93981203      0.29134687     -2.94216956
  H     -1.05780188      3.60829297      1.36891005
  H      0.90483230      1.70394625     -1.73472498
  O     -2.35132800      2.00847276      4.27913131
  H     -2.06894904     -1.02521512      3.88580206
  H      0.89651449      2.00444884     -0.21142911
  O     -2.04969743      6.17120832      3.37694903
  H     -2.97034974     -0.72174813      2.67239843
  H     -4.04555486      5.27471846      1.03185611
  O     -3.59129110      1.96459608      0.27932045
  H     -2.15722505     -0.21037203     -2.81421411
  H     -2.89190771      6.06410599      1.69000352
  O     -4.02756344      4.18077655      3.93722938
  H     -2.01058875      1.33452421     -2.88754161
  H      1.51160816      1.92715344      2.23628635
  O      0.68165324      2.37596874     -1.07940344
  H     -3.10260951      0.27297802      0.62759857
  H      0.08866134      1.89389701      1.65723564
  O     -3.34040494      5.90744379      0.84963632
  H     -2.78440200     -1.07716131     -0.05763249
  H      0.25952833     -1.69665974     -0.35238131
  O      0.98200549      1.53201240      1.53445786
  H      0.42143442     -0.16048364      1.42731250
  H      0.58354905     -1.22474844     -1.79343642
  O      0.17011613     -1.93319308     -1.28547439
  H     -0.96522572     -0.83783406      1.19122450
  H      2.72369592      2.95844084      4.31506870
  O      1.91922611      2.86865842      3.81144358
  H      0.16344182      0.25729835      4.81973771
  H      1.33211518      2.28235958      4.32367796
          69
 Energy    -248.93700691676889     
  O     13.17300968     13.14283355     -9.02276117
  H     12.91389598     13.59261033     -9.84706190
  H     10.72160447     12.73127217    -13.89148619
  O     15.10202662     13.27505158    -16.70590701
  H     12.71913415     13.59076809     -8.31380293
  H     19.66342642     14.24719570    -13.23320933
  O     16.84400741      9.17691534    -11.19892502
  H     14.99524130     13.62605547    -17.58607085
  H     18.39085672     13.72248007    -13.93348814
  O     14.81187225     10.66805795    -15.69012039
  H     14.52616250     13.80115830    -16.12237059
  H     13.28992779     11.23762103     -9.16562163
  O     16.92062689      7.00820583    -12.86635335
  H     16.97704481      8.35780867    -11.69799088
  H     14.45215891     10.26619829     -8.91184330
  O     17.65706683      7.56519668    -15.58858243
  H     17.32538990      9.87598299    -11.66393842
  H     16.83250160     13.35499653    -15.87534352
  O     15.55115805     12.41211868    -12.31282893
  H     14.27694939     10.78836832    -14.89377691
  H     17.80848041     12.22590992    -15.52575584
  O     14.04563642      8.99319169    -11.55996812
  H     14.85254732     11.52522826    -16.13346839
  H     14.80236904      8.80227361    -15.91597943
  O     17.55747696     10.35456213    -15.24811060
  H     17.30466443      7.15357174    -13.73950840
  H     14.55845838      7.53406633    -15.05771416
  O     13.43107494     11.06815513    -13.30031912
  H     15.98959539      6.80913436    -13.02322016
  H     16.91846628      9.92438943     -8.07436708
  O     13.54000769     14.64574557    -15.00123353
  H     16.70018604      7.60318616    -15.77328933
  H     16.59771690      9.84662329     -9.58389129
  O     11.58153902     13.05717478    -13.63926993
  H     18.04043429      6.97648157    -16.23291489
  H     16.89476108     14.49326765    -10.43082022
  O     18.81782456     13.83783446    -13.06566290
  H     16.38750159     11.99914712    -12.55586590
  H     17.78526578     14.72868148    -11.66786198
  O     13.53725855     10.30643772     -9.21832590
  H     15.61245094     12.60431644    -11.36642805
  H     17.96089761     10.84629482    -13.57669003
  O     17.68384583     13.18160061    -15.45774194
  H     15.00666124      9.09360168    -11.50849790
  H     18.46700515     12.03516423    -12.69858465
  O     14.97696972      7.85275057    -15.86743978
  H     13.69742439      9.38107532    -10.74376584
  H     13.39334556     14.79755821    -11.73106832
  O     16.38463831     10.31763709     -8.75993797
  H     16.60175424     10.44643612    -15.37698415
  H     12.12615213     13.98662724    -12.06466301
  O     17.21869448     15.17882580    -11.02856639
  H     17.76314095      9.42565727    -15.40557214
  H     13.95511355      7.60975045    -12.66756000
  O     18.03815734     11.17091144    -12.66659369
  H     13.46595441     10.27272788    -12.75592013
  H     13.45248030      6.21232520    -13.09208316
  O     12.60798186     14.39515980    -11.33647772
  H     14.14978954     11.62854427    -12.96324762
  H     15.00881412     13.12521822     -9.31867523
  O     14.06608380      6.90414890    -13.32677495
  H     12.78300166     14.18740615    -14.61821881
  H     16.19103273     12.12824356     -9.25696672
  O     15.91736266     12.98133005     -9.61717179
  H     14.04646278     14.99844107    -14.25591359
  H     15.16197756     14.15668378    -12.71780758
  O     14.98560587     15.10875340    -12.67200232
  H     12.15868336     12.28126253    -13.53597987
  H     15.70650020     15.44501655    -12.12481530
          69
 Energy    -248.93670348953168     
  O     10.39769922     10.63190935    -12.14647222
  H     11.36604879     10.63532241    -12.23076648
  H     18.43497827      6.86360513    -15.09308761
  O     14.32804579      7.45902095    -15.43683119
  H     10.14808606     11.48864646    -11.81014487
  H     17.44331389     11.76162837    -14.90292442
  O     17.31868921      9.69952688    -10.24234708
  H     14.96206604      7.83072821    -14.80069761
  H     15.94007648     11.87970128    -15.20551835
  O     18.85849431     10.92324191    -15.87711781
  H     14.85526907      7.16263806    -16.18741526
  H     16.01537314      9.24547431    -13.17453930
  O     12.87079676      9.78103474    -15.33000343
  H     16.79865671     10.17999569    -10.90929529
  H     17.06235266      8.53400486    -14.07571051
  O     12.91073899      5.97782099    -13.59321418
  H     17.54367704     10.32940563     -9.56243456
  H     10.28065697      8.85797630    -11.39724863
  O     15.81048759     10.82986256    -12.21332558
  H     19.50012623     11.34277084    -16.44369783
  H     11.39492456      7.83904464    -11.09498499
  O     16.93411798      9.67106161    -17.31892674
  H     18.22620163     10.46073855    -16.45882162
  H     10.18070270      7.00669183    -12.69207328
  O     14.90048363      4.30073273    -12.65544474
  H     13.30971418      8.92606299    -15.44782555
  H      9.39120332      6.02202880    -13.58957809
  O     18.86987632      8.50688863    -14.47036493
  H     11.92173035      9.61672052    -15.23096976
  H     18.54923100      8.60149767    -11.20866756
  O     16.31944024      6.84184628    -17.28640056
  H     13.34387809      6.43954266    -14.32609940
  H     18.50794922      7.21152983    -11.87142402
  O     17.94426340      6.04407053    -15.26221742
  H     11.95803965      6.10159061    -13.68332662
  H     16.28869455      5.39939210    -12.49267151
  O     16.60088170     12.03345042    -14.51886684
  H     16.11697750     11.35135582    -12.97185039
  H     16.59623199      6.89132959    -12.84565862
  O     16.16697265      8.46294191    -13.71603323
  H     14.84560554     10.79736002    -12.24408315
  H     16.19901517      8.16895171    -10.08237668
  O     10.43917243      7.92158562    -11.22591927
  H     16.11694180     10.15103579    -17.13389056
  H     16.13777018      6.81255750    -10.80159695
  O     10.15917053      6.58710837    -13.57159318
  H     16.71499641      8.73308236    -17.34509507
  H     14.01219702     10.83115724    -16.14859357
  O     19.04605305      8.00890409    -11.78654617
  H     14.13573147      4.79209875    -12.99405549
  H     14.30836994     11.94762803    -17.17324544
  O     16.96030690      6.09519378    -12.42851949
  H     14.54624614      3.57336557    -12.14962930
  H     14.03339728      7.62755162    -10.92787568
  O     15.64274186      7.39049181    -10.20944575
  H     19.04670255      9.38354179    -14.82748673
  H     13.19461446      7.11709103    -12.14479592
  O     14.72668189     11.33282199    -16.57525478
  H     19.11016753      8.47313589    -13.53163569
  H     13.07582774     10.15032162    -13.53080861
  O     13.22778076      7.77884694    -11.44236706
  H     16.43622907      6.28370449    -18.05049735
  H     13.16931959      9.40575371    -12.15990904
  O     13.10655428     10.28211199    -12.57299211
  H     16.90789094      6.49280458    -16.59261109
  H     10.17980646      8.31919203    -14.41343098
  O     10.27624633      9.24381351    -14.67255965
  H     17.66673548      5.74199559    -14.39287198
  H     10.14545990      9.75795758    -13.86597915
          69
 Energy    -248.93660670884373     
  O     13.32315571     11.45422127     -8.29914846
  H     13.23414616     11.27784934     -7.36602445
  H     10.06195616     13.22440306    -13.16000584
  O     11.07719085     11.08462166    -15.06112145
  H     13.47703292     10.59501830     -8.73339700
  H     13.44812119     13.04248970    -12.25928738
  O     13.61462839      9.13195030     -9.66033795
  H     11.44995731     11.27036481    -15.93242349
  H     13.46362039     14.38065181    -11.49288687
  O     18.26443809     12.40180499    -13.24347469
  H     11.00361646     11.93481526    -14.60162510
  H     12.18938314     13.66127100    -16.54790312
  O     11.36878163     12.02184734    -10.25295413
  H     14.40073598      8.85739974    -10.14659049
  H     11.61292140     14.24879097    -15.24485601
  O     11.44453629      9.49187238    -11.43331383
  H     12.86422568      9.04332223    -10.26189858
  H     15.20797799     11.67189314    -12.43416332
  O     13.04914752      9.68974399    -13.68125783
  H     19.18984363     12.41777317    -13.47480591
  H     14.02566678     11.10447676    -13.29901139
  O     14.95426662     15.28480397    -10.84510488
  H     17.82362793     11.82882035    -13.89334019
  H     12.25292344     11.78033692    -18.33030175
  O      9.35420476      9.75551082    -13.33015423
  H     11.90999397     11.88264115     -9.46634596
  H     13.34655474     11.86305214    -17.24208343
  O     14.77765060     14.08227162    -14.93117565
  H     11.85033239     12.66896289    -10.78816275
  H     16.75453395      8.15068481    -10.59482314
  O     15.04629502     12.04331590    -16.85263532
  H     11.40125472     10.37052294    -11.02609080
  H     16.29502586      9.53490590    -11.11104085
  O     10.80370882     13.50712332    -13.71351086
  H     10.65559611      9.41062495    -11.98275019
  H     15.78019058      8.34961790    -12.94295658
  O     12.87407932     13.71279258    -11.86253599
  H     12.57132294      9.51956103    -12.85753246
  H     14.66862766      8.72085616    -13.93123466
  O     12.24603766     14.41954943    -15.95522362
  H     12.41229258     10.10245446    -14.27963135
  H     16.43957278      9.89498769    -14.59314586
  O     14.55311158     11.89457156    -13.11053274
  H     15.03980477     16.19761510    -10.58361807
  H     15.89451340     11.30404709    -14.38653507
  O     12.38442239     11.87563264    -17.39056739
  H     15.58422238     15.14168072    -11.57460205
  H     16.30427423     11.85207489    -10.56932514
  O     16.04597025      8.59593462    -11.05395935
  H      9.88915704     10.16060531    -14.03263400
  H     17.28170037     11.68081670    -11.79771354
  O     15.59595569      8.45131953    -13.88466688
  H      8.69511178      9.21823696    -13.76273056
  H      9.69172304     12.21617896    -11.21289017
  O     16.62115028     10.82334364    -14.80424225
  H     14.61460325     13.36645853    -14.30217701
  H      8.98961979     11.41226604    -12.32490911
  O     16.57663237     11.26212184    -11.29094762
  H     13.91179775     14.35572829    -15.26972083
  H     16.02964360     14.70920339    -13.73154377
  O      9.06236914     12.29442319    -11.94205123
  H     15.68866124     11.46701024    -16.42557598
  H     17.23872749     14.06184528    -13.02890234
  O     16.59387503     14.77206523    -12.94699028
  H     15.06590842     12.86447203    -16.34107780
  H     14.75431498     12.50457481     -8.99742080
  O     15.53894225     12.88376339     -9.41226967
  H     11.52492741     13.71534910    -13.10387297
  H     15.29293785     13.74475945     -9.77137949
          69
 Energy    -248.93659062031409     
  O     17.76052105      8.71079620    -13.67994236
  H     16.98556334      8.98763020    -13.16634024
  H     17.75488252      5.30885079    -10.09581375
  O     12.92345794      8.52282234     -9.76187081
  H     17.44642155      8.00080745    -14.25291939
  H     15.81616792      7.04703558    -10.18475015
  O     11.39776731      8.44495550    -12.19172658
  H     12.32295439      8.44338041    -10.51502506
  H     14.27939762      7.43626482    -10.18459227
  O     16.41129482      6.70099491    -15.01573058
  H     13.10348723      9.46542029     -9.66790509
  H     19.38466732      4.77822480    -13.22444762
  O     19.37122719      7.52611372    -11.76575005
  H     10.47503146      8.25490822    -12.33628770
  H     20.79562228      4.42558143    -12.69100625
  O     19.93690234     10.08245299    -10.84393978
  H     11.89328783      7.97629598    -12.88835468
  H     17.65183537     12.00712871    -13.16926352
  O     17.56466351      7.25086202     -9.67178370
  H     15.84795136      7.34904763    -15.45845457
  H     16.60171757     12.12678688    -12.05759851
  O     12.89710768      7.28530113    -14.09866836
  H     15.87447944      6.32742398    -14.29994860
  H     17.59597798      5.24299658    -14.75008215
  O     14.81074730     11.10866087    -14.66665900
  H     18.82704180      7.88241569    -12.48296251
  H     17.46036108      3.99727262    -13.84556792
  O     14.63793809      8.70192871    -15.91337422
  H     19.70845494      6.66822041    -12.04913695
  H     14.72474538      9.64385486    -12.48496529
  O     13.06042826     10.67368191    -12.55668477
  H     19.78181196     10.57812544    -11.65609499
  H     15.28274687      8.42272561    -11.68536723
  O     17.89919858      4.48654224    -10.57641557
  H     19.92963722      9.15221185    -11.11326594
  H     19.82498107     11.16644464    -14.22359667
  O     14.97970584      6.96648609    -10.66205891
  H     18.17677610      7.31471121    -10.42092609
  H     18.75903783     10.19940693    -13.66057586
  O     20.00886011      4.92459975    -12.49067373
  H     17.68874045      8.07074143     -9.18105558
  H     16.06101158     10.44520217    -10.99851236
  O     16.74884127     12.29927401    -12.99441120
  H     13.47737572      6.58813916    -13.76328186
  H     16.88603763     10.82243241     -9.74360971
  O     18.09507378      4.51555093    -14.35721814
  H     13.41509070      7.78277275    -14.74157135
  H     14.84942013      6.03142846    -12.14834914
  O     15.53193815      9.21620262    -12.17619994
  H     15.52196067     11.55956514    -14.19134781
  H     15.19911366      4.70776803    -12.86898333
  O     19.25090816     11.01784071    -13.47610047
  H     14.05743606     11.11581606    -14.06033350
  H     18.87113367     10.03541636     -9.47476889
  O     16.22830229     11.15945239    -10.36282950
  H     14.76587721      9.56740488    -15.48600041
  H     18.61406557     10.19220441     -7.95743343
  O     14.81907349      5.58274129    -13.00756868
  H     14.35668957      8.88377484    -16.80670676
  H     13.31462307     12.10535744     -9.30608007
  O     18.20193526      9.92364710     -8.77432807
  H     13.15251809     11.04180038    -11.66909016
  H     14.51949699     11.36977010     -9.93715516
  O     13.55131274     11.35689904     -9.84745633
  H     12.39403425      9.97765176    -12.49283859
  H     16.82783717      3.68576272    -11.72204114
  O     16.32684481      3.29313133    -12.45940533
  H     18.70711070      4.61041473    -11.09134482
  H     16.12997071      2.39405096    -12.21139713
          69
 Energy    -248.93656066497135     
  O     19.52899102      9.06400758    -15.04376103
  H     19.63194068      8.10178589    -15.07788616
  H     18.51128208      3.50032298    -13.58006115
  O     16.09853711      8.64628135     -9.86050187
  H     18.71686429      9.26393913    -15.52202898
  H     16.07119739      9.72459893    -13.48411480
  O     13.46307683     11.11690392    -12.75616840
  H     15.61796332      7.88134968    -10.20859101
  H     15.86820452      9.68645808    -15.02064844
  O     16.99214871      9.34522577    -16.44225479
  H     15.43886811      9.35164739     -9.78438113
  H     17.41991634      7.70548088    -12.62835232
  O     11.78274413      8.79762888    -12.61706766
  H     14.13706785     10.70554350    -13.32203908
  H     17.66123018      6.30870566    -11.97889981
  O     18.09102910      5.41030868    -10.34461465
  H     13.31951588     11.99582050    -13.09869432
  H     14.41815433      6.61767835    -14.02971789
  O     14.36849991      6.73072866    -10.92649211
  H     16.98101454      8.37503812    -16.53933013
  H     14.46858324      8.16577899    -13.88773405
  O     20.60886224      4.98610691    -11.43403315
  H     16.97268720      9.70682721    -17.32446823
  H     17.63338693      8.15800472     -9.14881889
  O     15.69353470      4.20561948    -10.98751597
  H     12.18788562      9.66949654    -12.70415286
  H     18.59309313      7.96504800     -7.95318908
  O     16.61780538      3.03181550    -13.26186155
  H     12.38692235      8.19331381    -13.07176587
  H     13.81941273     10.68545450    -10.89530433
  O     19.32546178      6.29997377    -14.86767625
  H     18.22973045      6.14157860     -9.73115220
  H     13.27200477      9.66720096     -9.88012420
  O     19.41700519      3.76261212    -13.78414886
  H     18.96490868      5.11885670    -10.63795896
  H     19.91452426      7.80736385    -10.20828646
  O     15.39731118      9.75793240    -14.18137961
  H     14.27324995      6.93696619    -11.86720543
  H     20.43103726      8.43097386    -11.51970510
  O     17.48823112      6.76125357    -12.81261430
  H     13.57544120      7.07343938    -10.49539975
  H     20.55279260     10.72093071    -12.56648295
  O     13.97100732      7.37745633    -13.63266183
  H     21.45401495      4.64248753    -11.15547665
  H     19.88038252      9.66011611    -13.47307351
  O     18.49873285      7.79909671     -8.88787371
  H     20.66287487      5.95511832    -11.35182286
  H     16.30492675      5.92681890    -13.88630868
  O     13.96142398     10.33186152    -10.00887232
  H     15.11524421      4.97743549    -10.95557411
  H     15.88702253      4.49541344    -14.23339628
  O     20.53241465      7.66957791    -10.93655384
  H     16.53788792      4.51355759    -10.62736447
  H     17.96469822      6.45878835    -16.15896438
  O     19.99252569      9.94997281    -12.54844830
  H     16.35854850      2.11457792    -13.29533878
  H     16.47380436      6.16264358    -16.00566406
  O     15.70587422      5.41548661    -14.45480268
  H     16.24833566      3.39469576    -12.43683582
  H     11.27463432      7.94128781     -9.55824670
  O     17.10169479      6.65658677    -16.54820318
  H     18.72847092      6.53631874    -14.14138974
  H     11.86344220      8.35735306    -10.92850137
  O     12.09139359      8.14605584    -10.00467719
  H     19.51669155      5.36617381    -14.71125607
  H     18.19090169      9.74880926    -12.19477209
  O     17.26150958      9.49029037    -12.22441548
  H     19.80252429      4.09600034    -12.96444935
  H     16.93833556      9.31751176    -11.33034570
          69
 Energy    -248.93643577363278     
  O     -8.05745958     -1.98900348      6.32729947
  H     -7.11962974     -1.78986077      6.43703397
  H     -3.13061311      0.60497657      1.73068173
  O    -10.82647983     -1.81646019      3.09582383
  H     -8.55113708     -1.22657799      6.64954834
  H     -7.25002905     -0.50371726      3.26249207
  O     -8.84596786     -3.51523229      4.24325275
  H    -10.24126021     -2.48202170      3.47647954
  H     -7.45623923      0.99652686      2.86350911
  O     -5.93682147      0.57626329      0.21210232
  H    -10.68788584     -1.01945291      3.62439043
  H     -4.95373424     -1.59006584      5.55685342
  O     -5.97918262      1.18369331      5.79046882
  H     -8.58483511     -2.99424589      5.02471862
  H     -4.61503794     -1.82979489      7.04902315
  O     -4.21754764      4.84105092      0.45167646
  H     -8.93386462     -4.41952825      4.53162637
  H     -0.83884246      1.40768884      0.74615201
  O     -9.62947402      0.28652687      7.16825832
  H     -6.44322263     -0.21687000      0.00472521
  H     -1.87539908      2.35036402      1.40597187
  O     -4.56379547     -1.79219483      3.89852009
  H     -6.56946530      1.20771431      0.58838665
  H    -10.42383562      1.58587681      2.92613600
  O     -3.99595977      2.40205443     -0.74457849
  H     -6.50138484      0.93044022      5.01220704
  H    -11.25199877      2.52820475      2.02439801
  O    -10.06697853      0.59500810      4.39988382
  H     -5.62781938      0.36057464      6.15221284
  H     -7.65381132     -2.74277935      3.06215715
  O     -7.68737787     -1.63999136     -0.05299015
  H     -4.15470345      5.53805770     -0.19548578
  H     -7.22738059     -2.13877329      1.67819465
  O     -3.94378714      0.32650410      2.17027357
  H     -4.18621880      4.00024471     -0.03872082
  H    -10.35960517     -1.10765567      1.50266751
  O     -7.43968070      0.37823889      3.60652960
  H    -10.18095276      0.22339478      7.94385749
  H    -10.18635974      0.33709396      1.00876932
  O     -5.25247292     -1.42136632      6.47022409
  H     -9.03558620      1.04477888      7.30676404
  H     -7.82387735      3.29798411      7.33341817
  O     -1.77406430      1.54654841      0.86415242
  H     -4.21297724     -1.07560447      3.35363615
  H     -7.13653081      2.00704728      6.85607685
  O    -10.44814954      2.01577818      2.05488174
  H     -5.35360625     -2.09632423      3.43022731
  H     -2.92723583      4.26689436      1.75326462
  O     -6.98742140     -2.20914535      2.61013666
  H     -3.18622906      2.04769274     -0.35645627
  H     -2.96078409      3.41751570      3.03933520
  O    -10.01564050     -0.57777941      0.76689088
  H     -4.68723305      1.75324355     -0.55772574
  H     -4.80476150      2.14401864      4.69394127
  O     -7.87220128      2.34727728      7.39208855
  H     -9.13677465      0.47165160      4.15127844
  H     -4.23758123      1.72250902      3.32250722
  O     -2.37141391      3.74402269      2.34547715
  H    -10.09025313      0.54263304      5.36145934
  H     -7.22359299      2.99268901      1.86362448
  O     -4.35182560      2.48205575      3.91276999
  H     -7.85016356     -2.19128470     -0.81333907
  H     -8.63719948      2.32651249      1.63620646
  O     -7.68679750      2.20499459      1.53667043
  H     -8.54042706     -1.23237750      0.18730108
  H     -5.51522425      3.65418089      3.04831442
  O     -6.09403804      4.17528194      2.47460917
  H     -4.64543732      0.35149901      1.50472535
  H     -5.52410944      4.52304335      1.77696601
          69
 Energy    -248.93622702337481     
  O     20.95325182     10.49069933    -16.40760513
  H     21.39460500     11.34130699    -16.22992935
  H     21.94219268     17.71647633    -17.50900246
  O     16.74891040     18.62532141    -15.55724012
  H     21.64031931      9.84108598    -16.52742123
  H     14.60485855     13.06300111    -14.81384609
  O     21.92093181     14.31294808    -13.44973380
  H     16.52724780     19.54441729    -15.67863671
  H     15.69384621     12.83046618    -13.74752333
  O     13.95293386     14.56375808    -15.74184026
  H     17.31162468     18.37221225    -16.31279828
  H     20.22954603     17.02046245    -13.92812366
  O     16.83563030     11.76394108    -16.49960694
  H     22.55260379     14.38278004    -12.73927363
  H     21.24951200     17.10568419    -15.07957062
  O     16.67706841     10.60040119    -12.67039408
  H     21.67932022     15.22310260    -13.70091806
  H     17.78027542     13.42564379    -12.66210072
  O     22.03050230     12.91764424    -15.92502516
  H     13.06843546     14.74041371    -16.05041242
  H     16.76715891     12.40730937    -12.12551784
  O     20.54840956     14.80707676    -17.35406480
  H     14.25439562     15.36186221    -15.27069985
  H     18.33623661     15.12528026    -19.52271363
  O     14.96060879     16.70002765    -14.46117671
  H     16.18188286     11.78235638    -15.78755090
  H     17.11884165     15.32952162    -18.62027574
  O     19.31148726     13.29571059    -13.53076236
  H     16.74279904     12.63236430    -16.91653296
  H     17.79763497     16.83915575    -13.13007318
  O     18.99819492     11.39203877    -18.30081047
  H     17.43927128     10.50494613    -13.25674790
  H     17.87163472     17.82956207    -14.32409527
  O     21.22125617     17.41588533    -16.96136348
  H     15.93573563     10.80766020    -13.25117987
  H     18.19783256     17.21346251    -18.16206642
  O     15.12612333     12.37413245    -14.38222418
  H     22.12910829     13.33941495    -15.06384833
  H     19.36837777     17.83780593    -17.35567768
  O     21.13939271     16.80131141    -14.17090724
  H     21.58873867     13.57202326    -16.48371295
  H     16.19502207     16.26886711    -11.21483047
  O     16.88693939     13.35187741    -12.29132389
  H     19.77203910     14.86535372    -16.77745492
  H     16.54174956     15.06471870    -12.11723423
  O     17.73278606     15.80301072    -19.20022060
  H     20.25788385     14.44591024    -18.20097891
  H     19.53702544     10.57632529    -15.19582051
  O     18.39310468     17.21479810    -13.79046494
  H     15.39378391     16.49937264    -13.62272806
  H     18.11245971     11.15972878    -15.33598397
  O     18.42067546     17.89712341    -17.51291859
  H     15.50406543     17.36784539    -14.89750223
  H     18.71976909     14.31709510    -14.88376307
  O     16.43327426     16.03094512    -12.10756544
  H     20.23629173     13.54872261    -13.43112085
  H     18.41655515     15.81791431    -15.05599728
  O     18.76584199     10.85703793    -14.68773234
  H     19.25976722     12.40118540    -13.89811763
  H     19.33858310     12.81236039    -19.24706112
  O     18.43687560     14.97826013    -15.52996640
  H     19.68798586     11.02587233    -17.73417667
  H     19.93513539     13.39307772    -20.54827894
  O     19.58586491     13.64038382    -19.69640483
  H     18.18838561     11.38200886    -17.77556573
  H     15.49732480     14.49650958    -16.81113685
  O     16.35631920     14.39810406    -17.23775983
  H     21.07752873     16.47745012    -17.17577151
  H     17.03419241     14.66375361    -16.59572776
          69
 Energy    -248.93617507421180     
  O     14.79168105     11.58711901     -8.30078231
  H     15.54733818     11.94594182     -8.80024512
  H     12.82742797     14.95266635    -12.91521563
  O     10.80298040     12.81268254    -14.43510177
  H     15.03203739     11.61332516     -7.37895782
  H     14.96838558     14.73963984    -11.57845000
  O     13.74728681      9.51839996     -9.95344225
  H     11.23247797     13.60788636    -14.09151560
  H     13.67026037     14.02458164    -11.03060940
  O     18.80786314     11.23345514    -13.89195567
  H     10.93761886     12.82220146    -15.39185557
  H     13.03181256     15.08972619    -15.22901031
  O     12.90568181     13.04531954     -9.84048748
  H     12.90448301      9.88645210    -10.24865725
  H     12.79054637     14.33162136    -16.54033457
  O     11.54691495     10.89252834    -11.06921918
  H     14.11610940     10.15877148     -9.33241197
  H     15.50731115     11.71631518    -12.76453526
  O     12.55215949     10.72854403    -13.65734900
  H     18.32260227     11.08908963    -14.72524799
  H     14.55181011     12.95440653    -12.68272947
  O     16.80787996     14.94370390    -11.40404666
  H     19.71944689     11.01164626    -14.05941393
  H     16.79784655     11.84565068    -16.10427880
  O      9.24238672     11.94265497    -12.25582971
  H     12.36916737     12.34574402    -10.23718231
  H     16.68204501     10.31801132    -16.30498840
  O     15.61719046     13.24764016    -15.61775663
  H     13.49505463     12.60648661     -9.21543831
  H     12.34507578     12.31777612    -17.16884263
  O     13.86731754     11.50278651    -17.13323152
  H     10.65449021     11.20192045    -11.27050532
  H     11.16894091     12.89834335    -17.98926866
  O     12.13014978     15.15729300    -13.56149162
  H     11.95328685     10.74150851    -11.93508549
  H     14.82241099      8.74452479    -11.04780653
  O     14.06938409     14.46937234    -11.79760925
  H     11.91002050     11.35268345    -14.01473630
  H     15.71639553      7.51093192    -11.31182027
  O     13.44546351     14.86223405    -16.07135680
  H     13.37693401     11.22580348    -13.53909842
  H     14.62309523      8.42254538    -13.37078969
  O     14.80709078     12.19676272    -13.22509203
  H     17.29595799     15.73895454    -11.20695813
  H     13.48955787      9.21529160    -14.05745267
  O     17.30840226     11.02569045    -16.10736017
  H     17.16286386     14.60010388    -12.24304583
  H     15.30582605      8.30549245    -17.12413260
  O     11.56984673     12.90732467    -17.12451247
  H      9.68437603     12.25549241    -13.06009598
  H     14.90617625      8.86667000    -15.73869416
  O     15.46649233      8.35833669    -11.67030086
  H      8.37387280     11.65765502    -12.53017322
  H     17.57033106     10.79363664    -12.60488598
  O     14.18092152      8.55670573    -14.21642631
  H     15.32584668     12.83280237    -14.78872397
  H     16.48801411      9.87668177    -11.91525000
  O     15.28601761      9.10403296    -16.60409565
  H     14.96769983     13.93356650    -15.83154235
  H     18.19799431     13.07719390    -13.75503920
  O     16.83844761     10.77462651    -11.97493498
  H     14.25090595     10.62437923    -17.03085874
  H     17.08758380     13.86468676    -14.47286297
  O     17.72924056     13.92016700    -13.75478929
  H     14.48355861     12.10533697    -16.70070161
  H     16.84467856     13.39928040    -10.26780084
  O     16.79719199     12.53996323     -9.83521667
  H     11.64093925     15.89654201    -13.20858114
  H     16.88830496     11.88352081    -10.54108062
          69
 Energy    -248.93598957403910     
  O     -6.92665602     -2.89929704      6.56883789
  H     -6.12724678     -2.37305509      6.69072714
  H     -4.21711489      0.84786564      1.83845502
  O     -9.60554914     -2.60448038      2.73930350
  H     -7.66604477     -2.27554870      6.56391360
  H     -6.40985880     -1.03798798      3.68379253
  O     -7.48982396     -4.03811787      4.16440068
  H     -9.97828559     -1.86146613      3.22809704
  H     -6.42061255      0.20559668      4.63778985
  O     -5.39724193      0.46586712      0.51434590
  H     -8.95889985     -3.03116691      3.31250586
  H     -4.18333581     -1.19194378      5.93162326
  O     -5.82572371      1.20633879      6.19624429
  H     -7.27437850     -3.70679552      5.05368119
  H     -3.89168222     -1.43945706      7.43128662
  O     -6.48338329      4.96346623      0.83847732
  H     -7.64451415     -4.97538256      4.25063079
  H     -1.65043608      3.87271533      1.26722876
  O     -8.85547750     -0.96596539      5.96868625
  H     -6.25983693      0.66638870      0.90868277
  H     -3.05211286      4.11446791      1.87748581
  O     -3.63537523     -1.07460021      4.30251285
  H     -5.43889136     -0.45534230      0.23558141
  H     -9.21749768      2.11355317      5.38898251
  O     -4.82528133      3.10887991     -0.27533724
  H     -6.66781614      1.35051780      6.64677359
  H     -9.05290250      2.66263041      3.95437987
  O    -10.80389075     -0.32910652      4.11629652
  H     -5.40349886      0.42470877      6.57452071
  H     -5.65787870     -2.47144580      1.91764162
  O     -5.95670933     -2.27538979      0.09748286
  H     -6.77453228      5.58229710      0.17421980
  H     -6.18720744     -3.12289995      3.23401127
  O     -3.63858094      1.15340262      2.55269424
  H     -5.94183577      4.29614942      0.37978552
  H     -8.43226846     -0.60901349      0.74928748
  O     -6.96594209     -0.34493874      4.06352563
  H     -9.69915389     -0.89637300      5.50508681
  H     -8.94938852     -1.99407933      1.17066446
  O     -4.59004124     -1.22677738      6.81769528
  H     -8.18409172     -0.80141040      5.28464340
  H     -8.66000239      0.57364113      6.84777698
  O     -2.50591617      3.47115864      1.39073931
  H     -3.50538492     -0.28827663      3.75760870
  H     -8.90075087      1.61822856      7.96529085
  O     -9.62445142      2.12363768      4.51618622
  H     -4.16565652     -1.68245298      3.76815860
  H     -4.60830641      4.41096630      3.34841071
  O     -5.56440635     -2.47495368      2.87837917
  H     -3.96140218      3.23186947      0.13671861
  H     -5.02565611      5.22168060      2.11173840
  O     -8.50495422     -1.52441138      0.44945035
  H     -5.03490694      2.17217146     -0.16506236
  H     -4.72836942      2.23486584      3.54705952
  O     -8.44825211      1.47782742      7.13743221
  H    -10.40550046      0.55828549      4.15370657
  H     -5.39777840      2.39605505      4.93312537
  O     -4.28368768      5.05919785      2.70689146
  H    -11.72753743     -0.20300111      3.91540466
  H     -7.90769251      1.81866940      1.97651117
  O     -5.27587056      2.82962614      4.07843066
  H     -6.90757036     -2.06105890      0.15418003
  H     -7.64029093      0.42222549      2.56372494
  O     -7.83383185      0.88772732      1.73613996
  H     -5.84673274     -2.85996565     -0.64662605
  H     -7.45316349      4.04242399      2.16481161
  O     -7.71173394      3.42688702      2.86146450
  H     -3.09056588      1.85580911      2.18084776
  H     -6.89452476      3.20975978      3.33533272
          69
 Ord_Energy   -248.935974    
 O   -4.31970835      0.483145624      -5.16657686    
 H   -4.86897850       1.16889787      -5.53908300    
 H   -3.63583422      0.928712606      -4.63834620    
 O   -5.07565260      0.184691772     -0.715728641    
 H   -5.90742826      0.158852667     -0.251229852    
 H   -5.21044159     -0.279243410      -1.56279445    
 O    2.34472895     -0.851510525      0.430320174    
 H    2.15444279     -0.144377127     -0.196483940    
 H    1.71648324     -0.733536601       1.15453649    
 O   -2.28784919       1.39142835      -3.55720353    
 H   -2.59276009       1.77101028      -2.71996570    
 H   -2.06189466      0.460585415      -3.39994407    
 O   -5.22883272      -1.19770932      -3.01655793    
 H   -4.94157219     -0.760721982      -3.82718968    
 H   -4.85350513      -2.08626223      -3.00877762    
 O   -2.10280204      -4.58150482      -1.14145172    
 H   -1.28546643      -4.94648218      -1.50085711    
 H   -1.85059094      -4.13940716     -0.323062122    
 O  -0.931470931      0.916547537      0.213403344    
 H  -0.215330213      0.973929048     -0.436019957    
 H   -1.52029908      0.202249706      -7.37633482E-02
 O    1.14141965      0.867935359      -1.65605843    
 H    1.14958370      -3.12686004E-02  -2.02027440    
 H   0.989607990       1.43627393      -2.41950345    
 O   -3.11906743       2.24914169      -1.09202552    
 H   -2.39053226       1.99507225     -0.511672854    
 H   -3.85023284       1.64978290     -0.892904103    
 O   0.445558459     -0.273213178      -5.89817238    
 H  -0.471813917     -0.434126019      -6.16697073    
 H   0.449457943      0.518237591      -5.35158062    
 O   0.140865624     -0.577906907       2.26275849    
 H   0.103844821     -0.158662185       3.11875677    
 H  -0.259516180       4.28480096E-02   1.62993920    
 O   -1.67406261      -1.24934721      -3.08901596    
 H  -0.724410474      -1.39077926      -2.97456622    
 H   -1.96828520      -1.86673903      -3.76940823    
 O    1.33894932      -3.27131009     -0.444587201    
 H    1.88131499      -2.53251290     -0.131899595    
 H   0.492620736      -3.18971038       1.97663195E-02
 O    1.83919632      -2.45718765      -5.21506739    
 H    2.64937854      -2.50014496      -5.71455097    
 H    1.35132647      -1.67433250      -5.53487539    
 O   -2.43603086      -3.19688964      -4.95407772    
 H   -1.63408518      -3.74033785      -4.89720201    
 H   -3.08384132      -3.56282020      -4.34140015    
 O   -1.05465662      -2.83087897      0.919527590    
 H  -0.657355309      -2.23565459       1.56594586    
 H   -1.67712677      -2.27696180      0.420278698    
 O   0.307752520       2.06282544      -4.13053846    
 H   0.395200908       2.93156695      -4.51577044    
 H  -0.641112208       1.92401898      -3.97015166    
 O   -4.15012646      -3.87016368      -2.82400393    
 H   -3.43912768      -4.09075117      -2.19773889    
 H   -4.78234816      -4.58336306      -2.77317762    
 O   -5.96212484E-02  -4.50853491      -4.66628647    
 H   0.632351160      -3.88811445      -4.92859697    
 H   0.183647677      -4.83639193      -3.79272556    
 O   -2.63006949      -1.15835369     -0.531979620    
 H   -2.37975359      -1.26396167      -1.46247470    
 H   -3.51352000     -0.773882866     -0.504882693    
 O   -2.18339586     -0.908033669      -6.51662922    
 H   -2.95183110     -0.410765558      -6.21731234    
 H   -2.29521155      -1.79070950      -6.13513136    
 O    1.01097929      -1.66178250      -2.68865061    
 H    1.15872300      -2.30119252      -1.98139560    
 H    1.41331673      -1.98885131      -3.50270486    
 O   0.527684450      -5.38571119      -1.99762273    
 H   0.945012987      -6.21503401      -1.77583385    
 H   0.939596832      -4.70903349      -1.43560147    
          69
 Energy    -248.93565959092427     
  O     12.93147422      3.38515192    -12.22420145
  H     13.22504515      3.48608801    -11.30920641
  H      9.88670451      9.70097906    -12.09007169
  O     13.33822808      3.67991613     -9.42195688
  H     12.66768910      4.25953891    -12.53793677
  H     10.22341876      4.85890837    -12.59907765
  O      7.98487509      6.37667368    -13.73081889
  H     13.08089151      2.88057301     -8.94489527
  H      9.72863250      3.39768437    -12.52323981
  O     14.03876206      8.18547133     -8.64745427
  H     12.53347031      4.22019145     -9.48613447
  H      7.74685412      8.07078860    -10.42143990
  O     11.16725181      5.75061371     -6.77266223
  H      8.73009248      6.77981880    -14.19338858
  H      8.33614933      6.83692615     -9.72148808
  O     10.74606764      1.81407561    -12.44856288
  H      8.33180221      5.55763927    -13.35453520
  H     10.24689853      5.24100102     -9.70486308
  O     12.21273703      1.54298884     -7.97043928
  H     14.95625166      8.43281177     -8.72697980
  H     11.50719363      6.13532430     -9.96454953
  O     11.72192133      5.87518298    -12.96950865
  H     14.02002676      7.31589626     -8.20729436
  H     10.82495865      1.27565165     -9.24628396
  O     10.44529131      9.43575330    -10.33146216
  H     11.18546753      5.58292674     -7.72831591
  H     10.27135665      1.41752125    -10.68836587
  O      6.99172284      8.34357465    -12.13086809
  H     10.60002770      6.52624679     -6.67296067
  H     13.02859747      5.73711319     -7.05041577
  O      8.19457934      2.77221159     -8.44359362
  H     10.86513944      1.17146891    -13.14263774
  H     13.87768683      5.00572849     -8.11712753
  O      9.44578934      9.58102137    -12.94139478
  H     11.57873731      2.31674454    -12.38352366
  H      8.68902926      4.74119712    -10.89082491
  O      9.43124749      4.31375475    -12.48078088
  H     11.61212596      2.07483079     -7.41615399
  H      8.28121285      4.29668820     -9.44467928
  O      8.30392172      7.80377169     -9.67896184
  H     12.59054374      0.87589901     -7.40383020
  H     13.04362759      7.71456401    -10.19219504
  O     11.18250042      5.35390444     -9.50024151
  H     11.34897160      6.45242315    -13.64782493
  H     11.68867007      8.21356715    -10.75836120
  O     10.01270516      1.28991325     -9.76778888
  H     12.03107307      6.45880579    -12.26222845
  H     10.65072291      3.99865696     -6.50781020
  O     13.87936742      5.75743428     -7.51101806
  H     10.86986325      9.73753859     -9.51995912
  H      9.59637180      3.04241215     -7.11320708
  O      8.48162636      5.06114077    -10.00060911
  H      9.70026554      8.87146443    -10.07098984
  H     12.12735102     10.47467818     -7.32678564
  O     12.34928758      7.50934102    -10.82856280
  H      7.27198806      7.59094399    -12.68232460
  H     12.62621375      9.23326398     -8.09826498
  O     10.42498426      3.06508673     -6.62075735
  H      6.08563946      8.53004119    -12.36195924
  H     10.56184779      8.07445889    -15.50583945
  O     11.84311828      9.77274293     -7.90784875
  H      7.44105953      2.24015605     -8.20202379
  H     10.10276392      8.41803215    -14.06899824
  O     10.36714021      7.68723584    -14.65657902
  H      8.79875016      2.19570219     -8.94767552
  H     10.34071857      8.67586796     -7.31151329
  O      9.64142745      8.05054598     -7.08766708
  H      8.54539299      9.30952041    -12.72237984
  H      9.06615639      8.00551024     -7.86071613
          69
 Energy    -248.93565134370084     
  O     15.31727197      7.22404948     -8.29362871
  H     15.84012948      6.63676830     -8.85804087
  H     11.32513813      8.01010780    -13.03859575
  O     12.70079081      6.51262148    -15.69510025
  H     14.40836281      7.15909797     -8.60841548
  H     16.61456046     10.50611093    -13.62031092
  O     16.81951615      7.53319072    -15.27434879
  H     12.30054854      7.12395562    -15.05500443
  H     15.85727342      9.21756310    -13.21935214
  O     15.89997713     12.15820150    -14.03164746
  H     11.98479454      6.13402265    -16.19920022
  H     14.21640503      9.06329538    -11.88959314
  O     10.59683607      7.47082160    -11.49471175
  H     16.89849179      8.28571972    -14.67106683
  H     14.44534130      7.60893279    -12.39127045
  O     18.56035935      4.14514051    -11.47062566
  H     17.68178843      7.10145434    -15.30068219
  H     15.27934883      5.85204818    -11.24857209
  O     17.84227119      8.42548868    -11.13780600
  H     15.30397281     11.82717750    -14.73072591
  H     14.61783146      5.64205901    -12.64496705
  O     13.69526051     11.88014393    -12.18930249
  H     16.28642907     12.96558708    -14.35841366
  H     20.04343580      6.09986020    -15.48213232
  O     17.46905407      4.12179883    -13.95296598
  H     11.30655312      7.40326129    -10.83726690
  H     19.45621087      6.37741264    -14.07634405
  O     14.14504050     11.15205674    -15.79042244
  H      9.80959752      7.14831474    -11.06366310
  H     15.39874967      8.20296547    -16.31246322
  O     11.76813026     11.05628869    -14.18651459
  H     18.93576838      3.29629536    -11.25437902
  H     13.90791487      7.85906053    -16.45041467
  O     11.85198839      8.32136928    -13.78921894
  H     18.13741331      4.05430792    -12.34381122
  H     14.22375389      5.71506671    -14.89173979
  O     16.74123461      9.57381905    -13.40814025
  H     17.52192473      8.86438609    -11.93909245
  H     15.65623359      6.25253197    -14.68601667
  O     14.34562425      8.52518483    -12.68410866
  H     17.48706918      8.92180416    -10.39043625
  H     19.44454961      5.79918583    -11.95174787
  O     14.45040951      5.94126396    -11.74081154
  H     14.47842790     12.05729436    -12.72437555
  H     19.19336388      7.32330123    -11.90237761
  O     19.22656961      6.13862577    -14.99249168
  H     12.99133686     11.67378577    -12.81636805
  H     13.17088721      8.25993592     -9.98444050
  O     14.55642275      8.54525594    -16.63945018
  H     18.06781900      4.70374370    -14.43848454
  H     13.34935368      6.79623378    -10.50881232
  O     15.04868955      5.54481513    -14.42180527
  H     16.57707837      4.43765975    -14.14352270
  H     17.17978258      6.79810865    -10.63275309
  O     19.69158923      6.63671742    -12.36363354
  H     14.28285482     10.26299645    -16.14935168
  H     17.40252362      5.25978519    -10.58922326
  O     12.86795548      7.34594220     -9.87170302
  H     13.27906569     11.14945671    -15.36760864
  H     16.75689333     10.09517315     -8.20479423
  O     16.80431800      5.96454665    -10.31285153
  H     11.68955145     10.09428373    -14.08374865
  H     16.05751355      8.77757481     -8.62021712
  O     16.43834238      9.60794683     -8.96021265
  H     10.88739603     11.38865700    -14.34165166
  H     14.81466009      9.97061413     -9.87723949
  O     13.96811197      9.90592245    -10.33533082
  H     12.76162224      8.43111948    -13.46818552
  H     13.84201051     10.71109446    -10.86220505
          69
 Energy    -248.93545902782478     
  O     -6.43746396      2.97394091     -0.77855404
  H     -6.99227223      3.74959978     -0.81537901
  H     -7.74262820     -0.62448199      3.64241269
  O     -4.56371429      2.32790826     -2.98415139
  H     -6.36535452      2.73397786      0.15981202
  H     -3.87483011     -1.02085504      3.19356050
  O     -6.07054662      1.95411202      1.77853499
  H     -5.05701644      2.69745339     -2.24498394
  H     -5.16300042     -0.36443560      3.72395389
  O     -3.33648062     -1.79129239      1.60537926
  H     -3.62206152      2.44471928     -2.79256309
  H     -0.72589883      0.58516012      1.59082877
  O     -1.49823243     -0.35126084     -1.95782242
  H     -6.56678019      1.33928755      2.33064498
  H     -1.18370498      1.51805839      2.75979101
  O     -5.37959412     -0.10453236     -3.81407501
  H     -5.36004454      1.41775813      1.39260319
  H     -1.80778909      2.39604228      0.89721207
  O     -4.80445263     -3.38447458     -0.17047797
  H     -3.62717566     -0.96338244      1.18564594
  H     -3.06393235      3.26843571      1.10418730
  O     -3.83789014     -1.87881007     -2.20820922
  H     -3.78250556     -2.49598227      1.12148813
  H      0.97530511     -0.92218319      0.29473676
  O     -1.91232332      2.42494401     -2.18678842
  H     -0.62453881     -0.47814250     -2.34953285
  H      1.93677416      0.27437435      0.18787693
  O     -0.86948227     -0.96099183      0.69850782
  H     -1.71223580      0.58638548     -2.05670173
  H      2.22480463      2.74078485      1.09114861
  O      1.20655766     -0.46611737     -2.73657158
  H     -5.04581139      0.78807815     -3.60673101
  H      0.87589744      1.99216559      1.16209435
  O     -6.99519986     -0.31654545      3.13761912
  H     -5.64852081     -0.09366320     -4.72810424
  H     -6.67441801      1.14238473     -1.20717309
  O     -4.20923638     -0.40196279      3.85764712
  H     -4.82131623     -4.29682293     -0.44555009
  H     -6.27219955      0.00856726     -2.18781768
  O     -0.63910192      1.47605398      1.96371420
  H     -4.46847978     -2.87034502     -0.92764066
  H     -2.23455244      1.72198176      5.04349686
  O     -2.54673570      2.80807398      0.42889231
  H     -4.35726815     -1.37344660     -2.84402983
  H     -3.08970816      0.90664677      4.04861340
  O      1.81540830     -0.64108486     -0.09395275
  H     -2.99552307     -1.41182367     -2.12682609
  H     -6.25407323     -2.33765650      0.52944829
  O      1.66260467      2.13783850      0.61085626
  H     -2.12741731      2.70219083     -1.28327668
  H     -6.88272104     -1.01979840      0.05548836
  O     -6.53027095      0.19041780     -1.27558343
  H     -0.95496416      2.52570303     -2.28705550
  H     -4.75527138      0.38243808     -0.38080258
  O     -2.44809599      1.63633025      4.11773254
  H     -1.62708371     -1.40671065      1.09890284
  H     -3.60667077      1.29431359      0.21171674
  O     -6.88446007     -1.65497091      0.78570961
  H     -1.12404117     -0.75156159     -0.21217904
  H     -3.45893591      3.03363003      3.23792029
  O     -4.15715590      0.51533634      0.36392286
  H      1.51599396     -0.60418205     -1.82324989
  H     -4.79685882      3.15950019      2.49025894
  O     -3.95783070      3.61242196      2.64735455
  H      1.78492154     -0.96753057     -3.30422141
  H      1.05590761      1.45499700     -2.48229431
  O      0.83939997      2.33756952     -2.15754337
  H     -6.97528729     -0.84420921      2.31791204
  H      1.15041897      2.36170786     -1.24431590
          69
 Energy    -248.93545754044592     
  O     12.20452187      5.93382146    -12.18001748
  H     12.93124412      5.31678568    -12.32372670
  H     15.02555209      5.87877544    -14.95683636
  O     17.23471257     10.43361355    -14.85101347
  H     12.45951265      6.45182202    -11.40304134
  H     17.05032420      6.14078005    -13.89348223
  O     17.08693738      9.16267982    -12.39482362
  H     16.57768632      9.96586872    -15.38532161
  H     18.24830545      7.09120967    -14.11006888
  O     15.83529097     12.77451279    -14.21021260
  H     16.87042733     11.31148760    -14.68114976
  H     14.08172122      8.13725901    -11.81662576
  O     13.32477831      7.54526674    -10.21889158
  H     17.19309896      9.70131610    -13.19067206
  H     15.32003737      8.78170982    -12.51638045
  O     15.28829314      9.14689622    -16.47465992
  H     17.36242129      8.26769322    -12.63530322
  H     14.06601637     10.24354175     -9.66399396
  O     13.82974450     11.30550888    -15.65509840
  H     15.60144153     12.60397085    -13.28004921
  H     12.71914894     10.80789055    -10.16490735
  O     17.07547358      5.09959548    -17.17072310
  H     16.06895378     13.69691050    -14.26954499
  H     14.95780239      4.49591769    -13.34626342
  O     11.19628894      7.43874213    -14.20491905
  H     14.12241443      7.34410736     -9.71485424
  H     14.51100175      3.31017883    -12.46271442
  O     16.53275846      5.73671802    -11.03303450
  H     13.05812135      8.43642184     -9.94488300
  H     13.11565013      9.59655530    -13.22466158
  O     13.89922181      7.24965841    -15.00855750
  H     14.80200889      8.43595647    -16.03511779
  H     11.75151187      9.26801726    -13.84292897
  O     15.69707299      5.20024068    -14.79027282
  H     14.75617252      9.94769450    -16.35440934
  H     16.18228169      6.77892109     -9.69552368
  O     17.72819270      6.64540017    -13.42552332
  H     14.42941133     11.89490426    -15.18098101
  H     16.16336293      6.99399080     -8.16352926
  O     14.40493150      8.50806404    -12.64707146
  H     13.23007688     10.93643191    -14.99447922
  H     15.95860134      9.22321456     -9.51294301
  O     13.10828252     10.17198447     -9.55368135
  H     17.12383581      6.01583642    -17.48212679
  H     16.47663593      9.82162273    -10.81482960
  O     14.53917696      4.26360764    -12.49988238
  H     17.90778542      4.69715008    -17.40963266
  H     17.42417098      8.25824675    -18.68541257
  O     12.31389638     10.00753201    -13.58642736
  H     10.34957084      7.09186829    -14.47159185
  H     16.51629798      8.31759329    -17.43864592
  O     15.86394763      7.36821824     -8.98772846
  H     11.50039198      6.88907719    -13.45869190
  H     15.42354548     11.60070947    -11.04156399
  O     15.95812693     10.04121783    -10.02593686
  H     15.82466777      5.21064093    -11.42317528
  H     14.11863715     12.21459491    -11.60233958
  O     17.23544319      7.81706787    -17.86081486
  H     17.10164738      6.00045699    -11.76726435
  H     18.44745323      7.97782415    -16.32258428
  O     15.08092517     12.23862142    -11.67779249
  H     12.93639370      7.22606039    -14.99270823
  H     18.51687935      9.04871748    -15.23339187
  O     18.83966950      8.16708922    -15.46281983
  H     14.15552748      7.63397584    -14.15356604
  H     12.16247432     11.28219826    -12.35089261
  O     12.25053288     11.92990108    -11.63171391
  H     16.15884933      5.04367623    -15.62486291
  H     11.52142847     12.53875054    -11.71531159
          69
 Energy    -248.93481034896297     
  O     10.95990161     11.40397570    -15.81971221
  H     11.12988181     11.92880303    -15.02737796
  H     19.24506244     17.53414806    -13.11881492
  O     13.24021323     14.52341531    -17.03761857
  H     11.56759291     10.65155517    -15.76486585
  H     17.92333126      8.78070316    -15.63521483
  O     14.38161739     11.85703950    -14.64415759
  H     14.16371069     14.25683097    -16.93363952
  H     16.87039081      9.81923556    -16.08623932
  O     16.54752365     10.80458544    -13.14234308
  H     12.79851841     13.79699346    -17.49120657
  H     15.85806101     16.60388860     -8.77301458
  O     12.01080177     12.89113259    -13.65281164
  H     13.98242448     11.09209209    -15.08143860
  H     15.96522645     16.77708136    -10.30701178
  O     13.83468236     10.34562400    -18.53776881
  H     15.08084713     11.52953136    -14.06612426
  H     16.27443360     14.10762617    -15.83556997
  O     11.85712104     12.29048398    -18.20150988
  H     16.85669534     10.24541845    -13.86714575
  H     15.24662332     12.94683090    -15.75761889
  O     14.95987143     13.99293388    -11.08358878
  H     15.98268167     10.26778503    -12.56989780
  H     13.63039790     15.70371307    -13.70375771
  O     12.14564769     15.48706495    -14.76095952
  H     11.92663330     13.81014269    -13.93229490
  H     14.44807204     15.10259943    -12.50770943
  O     15.89726818     17.70816539    -11.80070385
  H     12.87340316     12.59023766    -13.98228619
  H     17.16821135     12.39621011    -12.65430125
  O     16.86933590     15.18463516    -14.45246828
  H     13.68333395      9.88860426    -19.36192948
  H     17.22479088     13.86238872    -13.19252284
  O     18.43102908     17.05182395    -13.00359209
  H     13.17606813     11.05689743    -18.48882028
  H     13.59529402      8.98059787    -15.37945714
  O     17.12393988      9.22164316    -15.36016887
  H     11.47142827     12.00633242    -17.35187719
  H     13.42800785      9.67523095    -16.77879339
  O     16.04510055     16.13304898     -9.58042403
  H     11.12753136     12.51961635    -18.77152653
  H     14.53383638      8.92255808    -10.94040210
  O     15.76356963     13.49033595    -16.37472275
  H     15.22188555     14.65549492    -10.43242943
  H     14.05058804     10.22282231    -11.61909447
  O     14.45956777     15.76154442    -13.21555580
  H     15.77944718     13.69120423    -11.50277908
  H     16.30461964     11.85728796    -17.10200293
  O     17.32101345     13.31631773    -12.40026788
  H     11.50499295     16.16136551    -14.96910201
  H     15.56617382     10.72289748    -17.83507635
  O     13.11342929      9.66374808    -15.86807888
  H     12.52112116     15.17990515    -15.60631021
  H     14.61240796      8.44907029    -13.43256660
  O     14.57964518      9.41582415    -11.75527011
  H     16.75217656     17.66875168    -12.24654276
  H     15.56284182      8.34809719    -14.65227925
  O     16.36713520     10.92118436    -17.33622493
  H     15.29782437     17.17303650    -12.34010045
  H     18.22229708     14.52283643    -11.31980780
  O     14.69602997      8.08019583    -14.32103935
  H     17.47920560     15.85893630    -14.12961658
  H     17.77305987     15.57586186    -10.28936538
  O     18.49734929     15.34156936    -10.88206221
  H     15.99634760     15.41679730    -14.09886766
  H     13.82445193     12.51495283    -11.15758455
  O     13.26699904     11.75923649    -11.38700894
  H     18.55501206     16.47075408    -12.23139026
  H     12.64872600     12.09182516    -12.04970657
          69
 Ord_Energy   -248.934708    
 O    1.57503474       12.0651197      -10.0293980    
 H    1.55764055       13.0085926      -10.2462664    
 H   0.683710814       11.8535614      -9.72217274    
 O    1.35387301       8.87655735      -7.05972767    
 H   0.535281181       9.37877750      -6.96600866    
 H    1.09082556       7.95126677      -7.13037157    
 O   -2.05744910       7.65613890      -7.79038525    
 H   -1.27960181       7.10670185      -7.63224173    
 H   -1.82755947       8.54218197      -7.48506594    
 O    2.98960280       9.09727383      -13.0053253    
 H    3.63965297       8.88068962      -12.3185959    
 H    2.87825012       8.30985069      -13.5478802    
 O   -1.54124224       9.53706932      -11.0127783    
 H  -0.649914563       9.15729046      -10.9548769    
 H   -2.17207384       8.83788109      -10.8062382    
 O    1.70349312       11.4779663      -12.7890091    
 H    2.26293039       10.7066393      -12.9575453    
 H    1.67466915       11.6147480      -11.8321991    
 O   0.371012568       6.21526098      -7.51218414    
 H   0.569519103       5.41109514      -7.03935623    
 H   0.606157482       6.06087637      -8.44273186    
 O   -5.87679893E-02   7.56937456      -13.9367743    
 H  -0.367655784       8.48121071      -13.9358158    
 H  -0.577346683       7.08056402      -13.2800722    
 O   0.987625360       6.01679945      -10.1683931    
 H   0.942098141       6.95886087      -10.3976793    
 H    1.78663075       5.69141197      -10.6000328    
 O   0.996807277       14.6049805      -10.9441404    
 H    1.12480927       14.5718365      -11.9003868    
 H    4.37423512E-02   14.5270033      -10.8120184    
 O   -1.51135969       13.1158390      -13.3443327    
 H   -1.43630791       12.1731291      -13.5370665    
 H  -0.671095848       13.5074196      -13.6162348    
 O   -3.17367816       7.40451670      -10.2307720    
 H   -4.11405134       7.26699352      -10.1589003    
 H   -2.82323861       7.45333099      -9.32288742    
 O    3.31754422       5.60785103      -11.6623945    
 H    3.96585369       4.92381477      -11.8140020    
 H    3.01472235       5.89900684      -12.5375690    
 O    2.88963914       9.76205540      -9.13338470    
 H    2.44886041       9.49200630      -8.31286812    
 H    2.60283017       10.6606455      -9.34596062    
 O    4.49314070       8.24100971      -10.8885584    
 H    4.05408955       8.71957684      -10.1699543    
 H    4.13633442       7.34670210      -10.8983021    
 O  -0.789996505       10.3528137      -13.5457268    
 H    7.71519616E-02   10.7253971      -13.3313351    
 H   -1.18755937       10.0945206      -12.7007113    
 O    2.40109897       6.56467009      -14.1339054    
 H    2.54834795       6.26121235      -15.0254269    
 H    1.48003149       6.88726234      -14.0976448    
 O   -1.27758253       6.10318279      -11.9198542    
 H  -0.563776493       5.88162470      -11.3097525    
 H   -1.99365187       6.44794321      -11.3731270    
 O   -1.13789427       11.6512146      -9.34476566    
 H   -1.35849321       10.9279900      -9.95257187    
 H   -1.43956792       12.4719048      -9.75405025    
 O    1.06296098       8.66162491      -10.8908329    
 H    1.64055026       9.04100990      -10.2136002    
 H    1.53965318       8.74466133      -11.7247324    
 O   -1.82472098       13.9489250      -10.7822618    
 H   -1.78336775       13.6395473      -11.7052698    
 H   -2.54114604       14.5764217      -10.7362165    
 O    1.17577505       13.9741917      -13.7486706    
 H    1.74409497       14.2382565      -14.4671545    
 H    1.45043886       13.0770655      -13.4881058    
 O   -1.15621090       10.2485371      -6.99729252    
 H   -1.16502106       10.8092785      -7.79088926    
 H   -1.44640255       10.7957382      -6.27157021    
          69
 Energy    -248.93444765148951     
  O     16.74543064     10.76559785    -11.04766593
  H     17.51479399     10.21085238    -11.24259604
  H     18.01300455      4.68876798    -13.69061084
  O     17.15819961     13.01562707     -9.60895193
  H     15.99774953     10.41889319    -11.55364677
  H     15.49002699      6.17210562     -8.53472062
  O     14.63483723      9.58403643    -12.37633550
  H     16.98450719     12.25304791    -10.18898185
  H     15.79925499      7.37148189     -9.42364114
  O     18.85659726      9.05819316    -11.45855109
  H     17.16829069     13.78986291    -10.16512544
  H     18.23319767      7.28892153    -13.90246534
  O     20.72062210      9.82437839     -9.52493742
  H     14.43058899      8.70675165    -12.02265578
  H     18.56141055      8.64182964    -13.25089271
  O     18.20228607      6.47021663    -10.64345357
  H     14.93351064      9.44738209    -13.28443730
  H     17.72830602     11.42670777     -5.03500601
  O     11.83192752      7.98982717     -9.78918558
  H     19.58212629      9.35180307    -10.89360605
  H     16.89824637     11.47576926     -6.34081322
  O     15.68625163     12.26820310     -7.30015147
  H     18.59953069      8.17718952    -11.14836199
  H     16.65742264      8.70670977    -14.61486989
  O     12.65048641     10.62196691    -10.62853384
  H     20.22397220     10.50561975     -9.03658626
  H     15.71522043      9.17227963    -15.75158400
  O     13.02528340     11.63350163     -8.11424885
  H     21.63996671     10.07347785     -9.49014378
  H     16.47246400      8.95326764     -8.24199168
  O     13.42747705      8.84923712     -7.72105203
  H     17.34798466      6.32203647    -10.21321806
  H     16.22488623      9.73573579     -9.58747838
  O     17.80613098      5.51975722    -13.27146978
  H     18.14979451      6.04641569    -11.50906840
  H     18.61591504     12.20815716     -8.68820254
  O     15.70793020      6.40424027     -9.44673894
  H     11.02203376      7.59123461     -9.48144721
  H     18.81336677     11.44351803     -7.36576590
  O     18.24543391      8.23950537    -14.07083410
  H     12.35855556      8.20342883     -8.99962886
  H     15.91974738      7.16320712     -6.59119210
  O     17.66472147     11.05440807     -5.91040656
  H     14.78565377     12.03960620     -7.55735328
  H     14.40802871      7.28174795     -6.82884989
  O     15.72484591      8.86461087    -14.84955672
  H     16.11418626     12.62128818     -8.09072260
  H     14.51883154      6.66928259    -10.76980922
  O     15.86198367      9.08173030     -8.98350850
  H     12.21965744      9.77759817    -10.44616090
  H     13.10135825      7.25636987    -10.96375985
  O     19.24068451     11.65459494     -8.20478172
  H     13.31028220     10.42943420    -11.30627219
  H     19.16152467      7.02889855     -9.06432715
  O     15.12012217      6.63827659     -6.74136367
  H     12.93101472     11.34899030     -9.04048509
  H     20.00285778      8.26038460     -8.67551851
  O     13.91076576      7.02512905    -11.43453999
  H     12.32002676     12.25413089     -7.94877356
  H     17.56021261      9.24805214     -6.37073605
  O     19.48423227      7.53481299     -8.30797934
  H     14.27856711      8.91077701     -8.18495000
  H     18.17705650      8.07559096     -7.21890732
  O     17.37128102      8.39860247     -6.78644394
  H     13.16289554      9.76681275     -7.58906389
  H     14.67056663      6.39801821    -13.01181649
  O     15.23304624      6.23221012    -13.78035722
  H     16.86253113      5.69261177    -13.44102805
  H     15.28221774      7.06935857    -14.25735282
          69
 Energy    -248.93408429465961     
  O     -2.41527649      2.45248657      5.01575107
  H     -2.56803128      1.56314409      4.66928748
  H     -4.20278063     -3.97337669      1.22488633
  O      0.29969731      5.07800189      2.92225725
  H     -3.28031782      2.87257691      5.12329229
  H     -3.60435223      2.36449823      0.98467752
  O     -0.49292319     -0.13362421      2.16141973
  H      0.84351663      5.85442835      2.82309411
  H     -2.94654549      3.71627082      1.35810702
  O     -4.60979602      0.28703617     -2.22461510
  H      0.65365636      4.40658367      2.31183778
  H     -8.29703741      3.23964635      0.25890721
  O     -1.90038301     -0.18813914     -1.78014092
  H     -0.65606411      0.53883315      1.48407223
  H     -6.87913182      2.69101409     -0.01742978
  O     -4.42036416      0.99745290      1.73057743
  H      0.28779018      0.15751065      2.64819022
  H      0.56379472      2.62061102      0.81039506
  O     -6.49310616      2.24753777      3.09481573
  H     -5.14595741      0.04584884     -2.97636520
  H      1.50388166      2.35766008      2.00506124
  O     -7.93025551     -0.21841697      1.01019646
  H     -4.97013894     -0.19425882     -1.45734216
  H     -5.40935626      3.38063385      4.12827582
  O     -2.80085882      0.01659994      3.71414567
  H     -1.48563815     -0.42104912     -2.60808191
  H     -4.23056892      4.36678250      3.98421055
  O     -5.43746299      2.80383210     -1.01068048
  H     -2.82611018      0.02038457     -1.98026381
  H     -1.54480663      4.78455264      2.89895601
  O     -5.53238686     -0.94742377     -0.01553446
  H     -5.13880259      1.42994012      2.21304213
  H     -2.36307560      3.67029471      3.57458753
  O     -4.25343764     -3.02706539      1.32911020
  H     -4.80684643      0.33409611      1.14789607
  H     -4.79292464     -2.24902934      2.98988058
  O     -3.19102546      3.15767078      0.60680347
  H     -6.98078847      2.47319939      2.29145082
  H     -4.21347885     -1.19248860      3.94083554
  O     -7.65768463      2.59909251      0.55967373
  H     -6.86489572      1.42585820      3.44420591
  H      0.33515028      3.78941499      4.38434959
  O      1.22652511      3.03665105      1.37763038
  H     -7.85304871     -0.30811209      1.96896714
  H     -0.61464690      2.79580035      5.09171216
  O     -4.75592091      3.88374486      4.63220433
  H     -7.96371975      0.72909624      0.82551353
  H      1.17967901      1.74141194      4.05852505
  O     -2.42594157      4.39216352      2.93285748
  H     -1.94070617     -0.12355839      3.29780342
  H      2.42771869      0.83465357      3.93673328
  O     -5.00885804     -1.71226440      3.76143965
  H     -3.37238131      0.36229254      3.01020614
  H     -6.51503588     -0.84298710      3.81333179
  O      0.31775810      2.98002231      4.90850709
  H     -4.65338591      3.11051216     -0.53323698
  H     -7.86193006     -0.63335214      4.54259103
  O      1.63858045      1.10725476      3.47729581
  H     -5.14980754      2.03315137     -1.51129370
  H     -1.35691403     -1.43997051      1.16129591
  O     -7.34367844     -0.33100502      3.80155783
  H     -5.18321501     -1.74014660      0.40988278
  H     -1.90618322     -1.41241883     -0.27728861
  O     -1.92182857     -1.92052303      0.54126331
  H     -6.43645124     -0.79297454      0.29964845
  H     -1.14507902      1.10823389     -0.62967398
  O     -0.89872055      1.71183525      0.07995798
  H     -3.38062677     -2.66942924      1.08250702
  H     -1.65933741      2.29439736      0.22033189
          69
 Energy    -248.93385777705947     
  O     17.64298375      8.00211651    -12.55564394
  H     18.03700668      8.37091027    -11.75528067
  H     12.44832640     10.83774082    -14.51952865
  O     18.81141118      8.01817383    -15.01209809
  H     16.93762577      8.61450568    -12.82175641
  H     14.75444175      7.90277168     -8.69660687
  O     11.39858839      8.91250331    -12.59360731
  H     19.30746715      7.22569901    -15.20021585
  H     14.74543294      8.26167496     -7.19349369
  O     15.92361567      6.00391222    -11.70959637
  H     18.43281913      7.90800155    -14.12278788
  H     14.40480326      9.73242238    -12.05332349
  O     18.47556533      9.34467668    -10.28085512
  H     11.48171323      9.23448685    -13.49874228
  H     13.81043524      8.95839858    -10.85424329
  O     19.80587394     11.35534845    -11.70947715
  H     12.12631663      9.32392450    -12.10993081
  H     18.22630310      7.89665991     -9.09451683
  O     15.99361473     10.54381873     -9.65751926
  H     16.38953834      5.43596632    -11.07911854
  H     16.99481618      7.56009054     -8.23804194
  O     11.77278599      6.39218000    -11.70887949
  H     16.57022499      6.64726357    -12.03040687
  H     16.36989960     12.54775510    -12.96711250
  O     16.73711478      9.31423504    -16.51776361
  H     17.63424364      9.78371689    -10.08992586
  H     16.43473231     12.35632021    -14.53124529
  O     13.92187166      6.27750635    -13.67679222
  H     19.04758967     10.00822607    -10.68707862
  H     17.88434144      4.08517063     -9.33442461
  O     14.31755454      8.40158916    -15.37646163
  H     20.64650120     11.79473390    -11.61315584
  H     17.59835988      5.59655406     -9.27635669
  O     12.08796646     10.12830730    -15.08135815
  H     19.71627525     11.12248822    -12.65099045
  H     15.76572300     10.57939868    -13.50804859
  O     15.25425037      8.35355218     -7.99540254
  H     15.23012695     10.45259882    -10.24209457
  H     15.19535186      9.22840547    -14.06086170
  O     13.79110043      9.81470395    -11.30460441
  H     15.80915901      9.94589322     -8.92206289
  H     19.37739694      9.79150212    -14.58340767
  O     17.83408910      7.20163714     -8.55027883
  H     10.97667851      5.87055912    -11.65900451
  H     18.86905350     11.21048688    -14.88236663
  O     15.84729031     12.37620317    -13.76629881
  H     11.51718801      7.26829517    -12.05016274
  H     17.62070755     12.34312835    -16.80670608
  O     17.37071182      4.77497357     -9.74452156
  H     15.88388595      8.93298685    -16.27281882
  H     17.16418207     10.97810354    -16.23764725
  O     15.63063435      9.64524411    -13.30413986
  H     17.41360953      8.77429520    -16.09003238
  H     14.69777969      6.82596115    -10.67890496
  O     19.47347915     10.71393924    -14.31780495
  H     13.13701229      6.22990652    -13.12062825
  H     13.15993957      6.88284452    -10.54398456
  O     17.47459663     11.86906843    -15.99250886
  H     14.65801835      6.05857541    -13.08968818
  H     18.12811350     12.21378036    -11.46632343
  O     13.97815474      7.24815600    -10.18487887
  H     13.50819773      8.92760776    -15.38426993
  H     16.81147570     12.01026799    -10.69005302
  O     17.21547294     12.52147283    -11.40059165
  H     14.14525974      7.59591534    -14.86338260
  H     13.19946110     11.53010034    -12.46782173
  O     13.14599489     11.93825862    -13.33644743
  H     11.51292804     10.54706654    -15.71651061
  H     14.04574246     12.23552859    -13.53972401
          69
 Ord_Energy   -248.933731    
 O   -5.85957336       6.48903084       5.12173653    
 H   -5.39918041       6.17924356       4.32761145    
 H   -5.31343699       7.18051100       5.51225471    
 O    1.72361624       2.07532811       9.50640202    
 H    2.33249784       1.57481241       10.0437069    
 H    2.25672936       2.71491361       8.99931240    
 O   -1.39026344       8.72059911E-02   5.47110319    
 H  -0.765646935      0.524050176       6.07357693    
 H   -1.03899503     -0.784431219       5.30327415    
 O   -5.17725611       2.68527174       5.46012592    
 H   -5.73635435       3.23569036       6.02126360    
 H   -4.83273125       1.94326508       5.98162603    
 O   -2.97215819       4.31634569       6.14837074    
 H   -3.34790373       4.94311142       6.78133249    
 H   -3.70675421       3.79649353       5.79632616    
 O   -1.80206811       5.73086119       4.06343555    
 H   -2.16271281       5.20401478       4.79472017    
 H   -1.05907536       5.23104668       3.70828652    
 O   -3.84318066      0.747292519       6.84534883    
 H   -3.39358163       1.28675807       7.51000977    
 H   -3.12615013      0.381859928       6.31326342    
 O  -0.156642377       6.05792570       7.65570688    
 H   0.626099586       6.27794552       8.17632389    
 H  -0.798641801       5.68315649       8.27392483    
 O   -1.62761939       7.75010443       5.95454645    
 H   -1.06734514       7.27759886       6.58365583    
 H   -1.64234436       7.19420624       5.16297150    
 O   -1.96593189       4.92117167       9.51112080    
 H   -2.03584480       4.01327705       9.17708683    
 H   -2.78565621       5.35714340       9.24537277    
 O   -4.22426796       5.89064217       8.15297699    
 H   -5.05497980       5.45138550       7.93061113    
 H   -4.24832058       6.76614380       7.74200916    
 O   0.246559039       3.94403720       3.35285473    
 H   0.778120697       3.86368418       2.56599593    
 H  -0.415519863       3.22815442       3.32502317    
 O   -4.17386389       8.25101662       6.65224123    
 H   -3.24341774       8.14026451       6.38358736    
 H   -4.30967236       9.18349743       6.79454470    
 O   -1.63952577       2.02870703       3.38297606    
 H   -2.56466651       2.19877982       3.16753435    
 H   -1.62308407       1.34060097       4.05820036    
 O   -4.38166094       2.60326719       2.86786938    
 H   -4.99350691       2.12441921       2.31408286    
 H   -4.75562429       2.59916782       3.76644349    
 O   0.260992140       1.51831853       7.17577505    
 H   0.477735460       2.34852648       6.72254896    
 H   0.766167045       1.51981652       7.99845266    
 O   0.886405706       3.97004747       6.08466244    
 H   0.728906870       4.03028297       5.13502836    
 H   0.441172898       4.71202898       6.51694584    
 O   -2.13873100       2.56826615       8.13603020    
 H   -1.29687619       2.15447903       7.90964413    
 H   -2.36477780       3.14406824       7.38828468    
 O   -4.38579464       5.49942923       2.99540067    
 H   -3.46625042       5.68725252       3.22839737    
 H   -4.41359520       4.55435324       2.81127191    
 O    2.04974914       6.27033663       9.40644646    
 H    1.54620433       5.66696882       9.98368931    
 H    2.41450572       6.95044518       9.96550369    
 O    2.96475363       3.96778774       7.99787045    
 H    2.39684081       3.98261571       7.21514082    
 H    2.82951570       4.81740141       8.43653011    
 O   0.538083553       4.45284033       10.7395506    
 H  -0.378928423       4.60634851       10.4736824    
 H   0.785686970       3.58122301       10.4099388    
 O   -6.51079035       4.66195869       6.96240664    
 H   -7.42872095       4.72985935       7.21012831    
 H   -6.35462475       5.32476854       6.26130867    
          69
 Energy    -248.93355415595309     
  O     17.02182732     10.18737073     -9.68713698
  H     16.29338213     10.10774415    -10.31978671
  H     12.85597694      7.30708652     -6.18659356
  O     17.60001588     11.61486331     -7.40364821
  H     17.69538983      9.53164435     -9.91761259
  H     18.04935519      6.38328975    -12.83495490
  O     12.50668149      6.04894734     -7.62597882
  H     17.78150302     12.53285647     -7.59177557
  H     16.70540563      5.67393814    -13.03017841
  O     14.81310065      9.71396966    -11.27555407
  H     17.38811667     11.19314593     -8.25281323
  H     15.22488426      6.91217763     -8.61372412
  O     18.83000295      8.15886134    -10.21063913
  H     12.22060008      6.69050185     -8.30159937
  H     14.19626209      5.78397825     -8.46069217
  O     20.74386155      8.12976083     -8.19850149
  H     11.78631234      5.43389102     -7.51317520
  H     19.59242638      8.43908899    -13.33578743
  O     17.60419471      5.70137121     -9.83846572
  H     14.07116594     10.15616563    -10.84414886
  H     18.85991980      8.24709620    -11.98826994
  O     11.91652006      7.80083394     -9.63806274
  H     14.58038542      8.77330050    -11.28786621
  H     15.66357411      9.33362387    -12.95834844
  O     15.42700381     11.15456813     -5.55655314
  H     18.36815661      7.32104926    -10.05558334
  H     17.00706500      8.74909403    -13.46571074
  O     12.62148651     10.61725951     -9.73938426
  H     19.56719028      8.19405504     -9.58753290
  H     14.83223943      9.04851175     -7.68140680
  O     13.45848561     10.24349335     -7.20545939
  H     21.67710294      8.19291087     -8.01645787
  H     16.09844533      9.08297545     -8.57397845
  O     12.89355625      8.10138657     -5.64062613
  H     20.28883317      8.68754590     -7.54104524
  H     18.78674081     10.33328761     -6.70562436
  O     17.55906621      5.59006587    -12.58808065
  H     17.58982912      5.50608572    -10.78693610
  H     18.61597074      8.90065211     -6.15904919
  O     14.99866942      6.02545786     -8.93771781
  H     16.69236202      5.67105303     -9.51977276
  H     16.14728064      8.09790075     -4.79474951
  O     18.74976470      8.20811683    -12.95275706
  H     12.00048618      8.76014504     -9.64317581
  H     15.61430726      8.35541057     -3.36764839
  O     16.07349339      8.85589765    -13.69036374
  H     12.50851210      7.49352010    -10.33931352
  H     14.41800365      6.56807702    -10.59223991
  O     15.58505427      8.52330675     -7.97865429
  H     16.22557012     11.27151698     -6.08493360
  H     14.31116899      6.65686686    -12.15511499
  O     19.27830860      9.54874856     -6.43549930
  H     15.52605644     10.33294575     -5.05981202
  H     18.58019810      5.66936356     -8.23196429
  O     15.43078036      8.51819323     -4.28977434
  H     12.91184104     10.55607653     -8.81135634
  H     19.71892520      6.52362923     -7.64626561
  O     14.00825089      7.04580175    -11.32670214
  H     11.99243723     11.33263837     -9.78339384
  H     16.71184004      7.88567977     -6.72456069
  O     19.00716833      5.92135704     -7.40170078
  H     13.07565287      9.54230302     -6.65614452
  H     17.86402534      6.88944716     -6.39897843
  O     17.30219768      7.58019248     -6.01975302
  H     14.07542652     10.73370415     -6.64280344
  H     14.69324089      6.11119948    -14.65021063
  O     15.08767136      6.32511931    -13.80926491
  H     13.72242864      8.08493560     -5.14618648
  H     15.40836797      7.24373487    -13.87080376
          69
 Energy    -248.93343562862350     
  O     14.85806612     11.59662918    -16.29113060
  H     15.32987536     12.14112509    -15.64853103
  H     16.07650523      4.83537931    -15.05440817
  O     14.46617693      6.57281491    -12.96199750
  H     15.53802692     11.09041404    -16.75067094
  H     18.46973230      5.89297788     -9.66230747
  O     15.44679999      9.75026334    -10.31225614
  H     14.79586263      6.52395980    -12.05652469
  H     18.05889434      7.24617213    -10.29207249
  O     18.37389883      9.15113078    -13.24064873
  H     14.72689326      5.79018546    -13.46712747
  H     18.07363085     10.80476674    -15.94378089
  O     13.82826429      6.30710827    -16.82466165
  H     15.46360526     10.17213869    -11.18205971
  H     17.85093631     11.82123638    -14.81529782
  O     12.73651249     10.08121874     -9.86170776
  H     14.56693517      9.94395956     -9.95928698
  H     15.96136496      8.34040830    -15.08224186
  O     11.98992044      7.64499086    -12.66380810
  H     18.61464424      9.86651286    -13.84360459
  H     15.33087063      7.89533046    -13.73808460
  O     15.06772618     10.86662758    -12.83818427
  H     17.46921512      8.91202165    -13.48974076
  H     13.26695249     11.07429038    -15.80376796
  O     17.80652500      5.48376141    -15.52362077
  H     13.22314562      6.89578929    -16.33881963
  H     11.76571840     11.33460801    -16.05040258
  O     12.39898266      7.20569708     -9.85980568
  H     13.32329009      5.93139260    -17.54112800
  H     12.24420354      8.92620781    -15.56170691
  O     18.58767848      6.38033997    -13.11209412
  H     12.47783704      9.15518067     -9.77783318
  H     11.91592167      7.79245618    -14.56952088
  O     15.14872816      4.70276772    -14.82234416
  H     12.46750680     10.35238074    -10.74837323
  H     17.30152318      9.36512562    -10.24938237
  O     17.88246704      6.28627730    -10.30237320
  H     11.84483552      7.45503559    -11.73089880
  H     18.33379711      9.15685003    -11.38185715
  O     18.47277820     11.15778999    -15.13993890
  H     12.85520829      7.24822635    -12.85883993
  H     15.27708377      7.93365825    -10.32024622
  O     15.81030919      8.61522685    -14.17222208
  H     15.33155929     10.11885821    -13.39691998
  H     16.04082315      6.59109017    -10.20754578
  O     12.37075563     10.81187154    -15.52980735
  H     14.10841451     10.80553601    -12.73769504
  H     17.35897603     10.15348335    -18.31561337
  O     12.16918492      7.96711296    -15.48401027
  H     18.09934372      5.78044946    -14.64260580
  H     16.81279743      9.16976180    -17.25756771
  O     18.15916200      8.96808013    -10.44876844
  H     18.49844276      4.92422733    -15.86592583
  H     12.19035268      9.46239004    -12.69275137
  O     15.15877449      6.97103604    -10.30310235
  H     13.34900179      7.02324345     -9.94316387
  H     12.23496142     10.67256110    -13.64734991
  O     17.01714020     10.10416826    -17.42596091
  H     12.07555990      6.64302507     -9.16022728
  H     16.36574415     13.67167664    -13.73539473
  O     12.33049424     10.42058327    -12.71996077
  H     18.34257397      6.19982435    -12.19878896
  H     15.90384083     12.20019325    -13.61504272
  O     16.34199441     12.84088643    -14.20258367
  H     18.69160622      7.34080440    -13.17391815
  H     15.46336795      7.13967959    -16.86540996
  O     16.33250827      7.54178977    -16.73117660
  H     14.63972320      5.12569759    -15.52603151
  H     16.91376777      6.85352424    -16.37947499
          69
 Energy    -248.93327066659404     
  O     12.80608196     11.90311756    -15.74228868
  H     12.14193920     11.52777333    -15.13947631
  H     17.80700646      8.46732098    -12.63502071
  O     14.96328299      7.75071649    -13.86333872
  H     13.24129830     12.63626834    -15.29306888
  H     16.59214817     10.69130046    -17.13612354
  O     16.45458056     10.88730328    -10.74968996
  H     14.89859644      8.66006912    -14.19728119
  H     17.67228146     10.09510503    -16.21182738
  O     17.13871360     12.90277202    -14.44618480
  H     15.51680939      7.79427184    -13.07303827
  H     14.15041009     10.74598475    -15.17902815
  O     12.76952047      8.02108572    -16.84109748
  H     15.69124626     11.19305014    -11.26253297
  H     15.68680486     10.50142241    -15.25461297
  O     12.89896926      9.42239165     -8.83177211
  H     17.23874828     11.18000247    -11.22954721
  H     11.34330375     10.53721565    -13.12367844
  O     12.50498783      7.48104860    -12.67126383
  H     17.18947341     12.30716462    -15.20870779
  H     10.92499046      9.73007768    -14.36710749
  O     14.33174819     11.55088681    -12.35313961
  H     16.23747320     13.23856509    -14.41836622
  H     10.11735395      7.43221371    -15.26873045
  O     15.62076643      7.52341649    -16.54992395
  H     12.73165468      8.83771239    -17.35468790
  H     11.54994876      7.90240766    -15.61197388
  O     14.04152632      7.18364056    -10.28521971
  H     13.69326335      7.74722658    -16.82966609
  H     18.02759537     12.11662370    -13.17549008
  O     18.30727920      8.34863206    -15.93774562
  H     12.37635719      9.37765059     -8.03508271
  H     19.34383694     12.07952309    -12.36626620
  O     18.40316706      8.85968530    -13.28532768
  H     13.75690321      9.80646038     -8.58267660
  H     16.38100728      9.05486244    -11.17748405
  O     17.12626582     10.87949451    -16.34876957
  H     11.83696241      7.49594427    -13.36644517
  H     15.64234501      7.71013840    -10.97655804
  O     14.89556182     10.32880676    -14.72941378
  H     13.35993528      7.49667547    -13.12901308
  H     16.06846397     10.13994303     -7.65973569
  O     11.10409930     10.62613923    -14.05429591
  H     13.56051600     11.07563798    -12.01511689
  H     15.82742905     10.63161540     -9.09555546
  O     10.86454364      7.91062725    -14.91968676
  H     14.62242252     11.07928777    -13.15016058
  H     14.58453663     10.13825846    -18.34578839
  O     18.51595192     11.62326124    -12.49255940
  H     15.35645273      7.41503995    -15.62411432
  H     15.48370398      9.01542210    -17.78612959
  O     16.36044207      8.13436312    -11.46911618
  H     16.57044754      7.68947299    -16.49576893
  H     12.33572066      9.88667467    -10.55574492
  O     15.38025148     10.41142402     -8.26245713
  H     13.42816497      7.08920662    -11.02575284
  H     12.32518135      9.12170138    -11.89923307
  O     15.50247367      9.85322953    -18.26771518
  H     13.64622522      7.84673094     -9.70772546
  H     14.27606865     13.04166303    -13.35420969
  O     12.21641903     10.00103903    -11.50623334
  H     19.14146413      7.97861685    -16.21419680
  H     14.09993689     14.53674138    -13.70494415
  O     14.31732002     13.68688595    -14.08084928
  H     18.35630628      8.45793924    -14.97081034
  H     12.16488572     10.96994115    -18.75570868
  O     12.75324363     10.56902167    -18.12133475
  H     18.50428828      9.78549455    -13.03412138
  H     12.73461306     11.12851244    -17.32627826
          69
 Energy    -248.93315938906795     
  O     14.69443134     13.40184238    -17.08468895
  H     14.34906735     13.75337406    -17.90063929
  H     13.20986806     14.65445785    -14.29543542
  O     17.82086342      9.19836769    -11.00365040
  H     14.33552836     13.95292730    -16.36544175
  H     11.37230241     14.42108978    -12.45662929
  O     16.42082262     16.52858859    -11.18447679
  H     17.21918479      8.66989157    -11.56284357
  H     12.84439073     14.46540981    -11.99263404
  O     14.26212480     10.95448782    -15.78012314
  H     18.43463812      8.58739438    -10.60518553
  H     19.16879072     14.05487515    -13.26459549
  O     16.15369247      7.90116354    -12.62220652
  H     17.06435484     15.93087255    -10.77003306
  H     18.98838127     12.68311382    -12.59503735
  O     16.42948843      7.48393461    -15.43601998
  H     16.62632319     17.40951563    -10.88120087
  H     14.19841370      9.33617621     -9.65107631
  O     15.87647742     12.65262232    -12.68950250
  H     13.87902998     11.22824192    -14.93391098
  H     13.18146707      8.33084885     -9.08651822
  O     13.51985166      8.89431630    -12.61261592
  H     14.32754539     11.74523927    -16.32777613
  H     17.39693856     11.95021612    -16.09545153
  O     16.94746714     10.25795518    -15.36984266
  H     16.32873324      7.66649052    -13.53978477
  H     16.52104833     13.09075192    -16.65842632
  O     18.68669442     14.79149672    -14.94497689
  H     15.24561183      8.23287112    -12.59353777
  H     13.85722706      9.11913970    -15.66790406
  O     13.41439191     11.63442354    -13.23412006
  H     15.47018603      7.65847049    -15.46740421
  H     13.57901563      8.28918011    -14.40471296
  O     13.82626753     14.87615920    -15.00224567
  H     16.58325383      6.69958146    -15.95453853
  H     16.45176119      9.92458771     -9.88026624
  O     12.25567530     14.16210648    -12.70575265
  H     16.67798165     12.13211317    -12.82947309
  H     15.71849504     11.21517759     -9.45888140
  O     19.23237970     13.60221533    -12.41549923
  H     16.01024524     13.52686831    -13.07592546
  H     18.60215270     14.28278509    -10.96619026
  O     13.40750556      8.81654668     -9.87469682
  H     13.41710380      9.83928481    -12.78740756
  H     18.90795416     14.68593589     -9.50443756
  O     17.41020032     12.88227323    -16.34568144
  H     13.37364325      8.77994685    -11.66209761
  H     17.81380858     10.72739161    -13.82670101
  O     13.82482421      8.21098391    -15.33720432
  H     16.01774760     10.51679851    -15.45346095
  H     18.09842825     10.44109582    -12.31330457
  O     15.69474502     10.25333187     -9.38125213
  H     16.95597248      9.29888429    -15.47144092
  H     14.66306876     15.64362952    -10.90192664
  O     18.21657661     14.67489496    -10.16085723
  H     18.27900342     14.08025683    -15.47368583
  H     14.46165892     14.25148809    -10.31427436
  O     18.15507065     11.11160989    -13.00710694
  H     19.27090179     15.26626605    -15.52939625
  H     15.82233069     12.82897385    -10.91383066
  O     13.98832981     14.97422940    -10.74764102
  H     12.84212217     12.38822893    -13.05557405
  H     16.67972063     13.51606698     -9.84002065
  O     15.86649222     13.01447597     -9.96181598
  H     14.31152038     11.93400689    -13.01641992
  H     16.33042101     15.79919559    -12.88422340
  O     16.23757311     15.27203953    -13.68709703
  H     14.65444067     15.12048298    -14.56450746
  H     17.09825034     15.23232093    -14.12363011
          69
 Energy    -248.93305441409390     
  O      0.44613726      0.23141610      4.92623273
  H     -0.25012747      0.39897858      5.55575924
  H      3.84966091      0.20034385     -0.78256598
  O      2.08547206     -2.78630765     -0.06311319
  H      0.34075940     -0.68989606      4.62753036
  H      5.59598270      2.44298812     -0.45811669
  O      5.74552642      0.02857360      2.61194950
  H      2.70682805     -2.14573435     -0.43548144
  H      6.42687942      2.79626329      0.79499704
  O      8.93227130     -0.53683379      4.47272454
  H      2.62057534     -3.42526497      0.42314204
  H      0.52468736      0.77177717      3.12690677
  O      6.59406981     -1.03374852      0.19306402
  H      4.78965666     -0.10120646      2.54192565
  H      0.34601431      0.08618147      1.74300229
  O     -0.09474348     -1.62217269      1.08305735
  H      6.09972966     -0.67757171      3.16628390
  H      6.07492998     -1.97478148      4.82155946
  O      3.21293752      0.90619647      5.20404948
  H      9.77018907     -0.48091348      4.92386764
  H      7.53225126     -1.61212226      4.34393742
  O      3.77569335      2.04447100     -0.88845464
  H      8.95688976      0.14739334      3.78285381
  H      6.43736411     -3.06998090      2.55371044
  O      3.75642538     -4.51971367      1.51427823
  H      6.32534265     -0.61734345      1.02717759
  H      6.43486668     -2.70545396      1.05394512
  O      3.89033692      3.21270605      3.90890540
  H      7.34811440     -0.51897387     -0.11576172
  H      0.03358096     -2.13252864      2.92210498
  O      3.13999006     -0.56155447      2.10143503
  H     -0.84140399     -1.83396188      0.52877896
  H      1.16062580     -2.60099689      3.85831807
  O      3.93331833     -0.73977482     -0.57503920
  H      0.68071244     -2.04500574      0.67312619
  H      3.03314634      2.99492017      2.22978891
  O      6.48999531      2.64023919     -0.15810788
  H      2.27766413      0.66948575      5.17112107
  H      1.81156279      2.25291015      1.63937804
  O      0.70786292      0.86738963      2.18317117
  H      3.69279866      0.09126888      5.38716397
  H      5.63248277      3.04446251      3.11159775
  O      6.72364041     -2.09996483      4.11957088
  H      3.39887738      2.56149750     -1.59602406
  H      6.20943961      1.70928241      2.63507307
  O      6.19154512     -3.40008862      1.67869951
  H      3.34958466      2.34670240     -0.06592938
  H      3.87385342     -2.19848708      5.00776957
  O      0.26163340     -2.24439645      3.85370499
  H      3.85286146     -5.45709950      1.37097553
  H      4.16327618     -2.13525237      6.52485244
  O      2.57132484      2.80232118      1.40500038
  H      4.65725226     -4.14582418      1.53261842
  H      7.83998062      1.56823023     -0.34226746
  O      6.38179185      2.66662943      2.64040168
  H      3.69924055      2.38490113      4.38368560
  H      9.18704166      1.16964051     -0.99151551
  O      4.37528915     -1.72124036      5.69132157
  H      3.68080120      3.92310379      4.51020358
  H      3.01504173     -2.02625860      3.07446990
  O      8.55950889      0.90988092     -0.32281250
  H      2.38588699      0.03374911      2.16690741
  H      3.22438735     -3.55392151      3.01038903
  O      2.98107601     -2.83736894      3.60840617
  H      3.34118993     -0.68004396      1.16279216
  H      8.17985572      2.00709233      2.65110900
  O      8.92337583      1.40391490      2.52116633
  H      4.87748856     -0.91403542     -0.45422131
  H      8.92030400      1.18489569      1.58225877
          69
 Energy    -248.93276112417192     
  O     17.70788587      9.36244675    -13.82311566
  H     17.26079962      9.30406038    -12.96692748
  H     15.00947744     10.05111139    -16.09105271
  O     17.72213746     15.31321283    -16.67789350
  H     17.01693080      9.56342507    -14.46808903
  H     19.09397179     10.16047752     -9.99233784
  O     22.15542990     10.27239232    -14.93483504
  H     17.49825798     15.93883022    -17.36116863
  H     18.26534373     11.45797354     -9.83349859
  O     18.56096586     13.25079030    -10.22901878
  H     18.63161175     15.01105709    -16.85929162
  H     20.19242008     17.18828586    -12.03266719
  O     15.12122738     11.58189645    -12.82026452
  H     22.01761910     11.08774013    -14.42040057
  H     18.80202941     16.74830502    -12.54045579
  O     20.83861448      9.63787888    -10.53764789
  H     23.09861618     10.15934850    -15.02323321
  H     21.17077971     11.46488853    -10.59934517
  O     16.30987208      9.40208986    -11.39383524
  H     18.02460912     13.34944375    -11.02909591
  H     20.24391736     12.70879952    -10.59053394
  O     20.39592177     11.61464290    -16.78386449
  H     18.68981217     14.13254264     -9.85900425
  H     20.38544482     13.46453837    -17.00997714
  O     20.93709053     15.06281942    -14.25322691
  H     15.41433682     10.85986869    -12.24975525
  H     20.67097268     14.68009094    -16.09594175
  O     19.19694444     15.85562551     -9.41889516
  H     15.12981698     11.21912778    -13.71399218
  H     22.07369028     16.15480709    -11.56636145
  O     21.42370832     12.47126476    -13.50083374
  H     21.32598575      8.94384112    -10.10187310
  H     22.81130334     17.33200362    -12.25062511
  O     15.60516551     10.39000485    -15.42845981
  H     20.69979856      9.34932457    -11.45739155
  H     17.92599617     15.61019524    -14.82845670
  O     18.20285900     10.49354831     -9.83232884
  H     15.84352481      8.73098319    -10.90307326
  H     17.72911471     14.91684575    -13.44687493
  O     19.25793331     17.15953081    -11.79384368
  H     16.96193606      9.79338540    -10.78502824
  H     21.02437000     15.35350322     -9.78337619
  O     21.15106941     12.41535672    -10.76607686
  H     21.07700654     11.07820353    -16.36169833
  H     21.79123807     14.13983087    -10.34265717
  O     20.25981968     14.42009354    -16.93006121
  H     19.66091750     11.59664475    -16.16242462
  H     20.98381340      9.24861609    -13.81498974
  O     22.05843153     16.75370373    -12.33479284
  H     19.99528897     15.23603362    -14.11080624
  H     19.51340161      8.89587182    -13.45406326
  O     18.20601404     15.62322844    -13.90493317
  H     21.42039147     15.67963429    -13.68973047
  H     18.53638355     10.96921416    -14.04356813
  O     21.85604031     15.09271602    -10.19903334
  H     18.87608929     16.42782399     -8.72728937
  H     19.72556038     12.00445934    -13.99042622
  O     20.41641234      8.90704289    -13.11337893
  H     19.14435932     16.36085526    -10.25039803
  H     17.58374575     12.48860617    -15.49430586
  O     18.81579696     11.86418728    -14.28181790
  H     21.33904759     13.38867131    -13.79658751
  H     17.01401002     13.56531370    -16.42510757
  O     16.88279970     12.65511777    -16.13945750
  H     21.39515054     12.46677888    -12.53461422
  H     16.35360745     12.89461831    -12.64339756
  O     17.18921513     13.38209766    -12.61713895
  H     15.98405229     11.21252008    -15.78821028
  H     17.80736276     12.86596425    -13.15338658
          69
 Energy    -248.93261687164397     
  O     12.84403077     11.65213481    -14.39309363
  H     13.55796874     11.35662266    -14.97574179
  H     15.47035008      6.10371684    -16.08904588
  O     13.79570120      6.23376209    -17.00162127
  H     13.18043608     11.55496902    -13.49226061
  H     15.50821394      7.46352518     -9.64666401
  O     13.72030436      6.09475371    -11.83163717
  H     13.63324757      6.32819084    -17.93654902
  H     15.09232659      6.41636534    -10.70219526
  O     18.01261119      5.02197000    -10.53708652
  H     13.36764421      6.99085712    -16.56368884
  H     13.93734166      9.26633862    -12.76750212
  O     12.62378206      4.60623530    -14.93666209
  H     12.79823131      5.86517041    -11.98960557
  H     14.97068753      8.50756253    -13.64204568
  O     10.71921522     10.00927150    -14.65305143
  H     13.86216611      6.93961872    -12.29011052
  H     15.50112560      9.89308879    -15.54951639
  O     14.74111296      8.96611927     -9.01673006
  H     18.66125368      5.60379576    -10.95014485
  H     14.07338649      9.63460165    -16.04277928
  O     19.62163718      6.74000308    -12.22220351
  H     17.26700064      5.58477231    -10.28361395
  H     10.44786192      5.05982819    -12.70908621
  O     12.71866760      8.27584095    -15.58359133
  H     12.91869166      5.06900402    -15.72885504
  H     11.60459637      5.33441953    -13.69253819
  O     17.35923808      3.21898106    -12.44242148
  H     13.43460312      4.31978586    -14.49372370
  H     10.90863689      7.53248427    -12.52433870
  O     18.56046200      5.17809711    -14.17148861
  H      9.96791306     10.47451143    -15.00982067
  H     10.74590657      8.97866800    -13.05177322
  O     16.14448347      6.04072042    -15.40252816
  H     11.43734496     10.66331457    -14.56224031
  H     14.63260851      4.90164083    -12.84245138
  O     15.85427975      6.76391742    -10.21926406
  H     13.83659620      9.08501848     -9.33230290
  H     15.76138444      3.85279111    -13.10959463
  O     14.11986439      8.41905199    -13.19118540
  H     15.26642621      9.65423090     -9.44240320
  H     11.65982607      9.10439365    -10.84319330
  O     14.74783499     10.32157115    -15.97478146
  H     19.29300849      6.21457728    -12.97428585
  H     11.44690649      9.84247022     -9.50445118
  O     11.14286513      5.68197532    -12.90935330
  H     20.56743692      6.80251907    -12.32231758
  H     16.51336621      7.74106220    -14.83981712
  O     10.85114431      8.45495745    -12.24814678
  H     11.91702928      8.79344261    -15.44669164
  H     16.97774083      8.59366966    -13.61721960
  O     15.02996287      4.33184957    -13.51692487
  H     13.15805844      8.25017674    -14.72009741
  H     13.20074139     10.56688514    -11.20243683
  O     12.12285232      9.54462376    -10.10828565
  H     17.63108418      2.33883760    -12.19776554
  H     14.68676151     10.93946281    -11.49369611
  O     16.54651030      8.64002086    -14.48055867
  H     17.58251709      3.80286034    -11.69502731
  H     17.01203937     11.34451465    -10.48465064
  O     13.80390552     10.89607641    -11.88231561
  H     17.85288432      5.47733353    -14.75564833
  H     16.81399536      9.95243520    -11.12517161
  O     16.34930791     10.69428654    -10.70402295
  H     18.21009855      4.41266768    -13.69835145
  H     18.28477856      7.95138058    -11.92583533
  O     17.44606604      8.41813652    -11.81782799
  H     15.76996540      5.45627328    -14.72626555
  H     16.86312463      7.82640426    -11.31915861
          69
 Energy    -248.93217901175663     
  O     13.23877521     10.12769555     -9.32311453
  H     13.02190643     11.03587799     -9.07853082
  H     10.69956859      8.24942877    -11.82549553
  O     15.35653042     14.01187249    -12.10504331
  H     14.19396973     10.10306008     -9.47626832
  H     15.23197128      5.42900243    -11.82901914
  O     11.43507355     10.15360168    -15.64117183
  H     15.54030384     13.59462957    -11.24413138
  H     15.14984292      6.95611479    -11.76718842
  O     11.21147064      7.63327161    -14.66862627
  H     15.90920456     14.78700079    -12.15767185
  H     11.41195697      6.24338473    -11.25436290
  O     12.29673747     11.57676616    -13.39073354
  H     11.33740482      9.24138754    -15.31414425
  H     12.52650503      6.25654754    -10.17552921
  O     15.05112623     11.77782015    -13.79780255
  H     10.77433512     10.27673153    -16.31730798
  H     12.30640503     13.00689837    -12.18001296
  O     12.84250397     12.87060529     -8.94100922
  H     11.81825746      6.89532426    -14.79523960
  H     13.46670094     13.93165838    -11.77574662
  O     16.02728894     10.03134305     -9.68602797
  H     10.78612299      7.49451880    -13.81316989
  H     13.31257593     10.18912236    -15.99055893
  O     15.62668482     12.83729692     -9.66355992
  H     11.91055227     11.19688130    -14.18972853
  H     14.61157987     10.77455699    -15.39139356
  O     14.19041667      8.29063969    -12.44717401
  H     13.25497415     11.61194654    -13.52975353
  H     16.82318728      6.75849077     -8.52994891
  O     13.12420252      5.53168640    -15.00055798
  H     15.20210156     12.61580141    -13.34293943
  H     16.11172701      6.81797683     -9.90135457
  O     10.17608855      7.45530769    -12.03930882
  H     15.62665814     11.13368772    -13.36097811
  H     13.15351536      4.85154048    -11.92865829
  O     15.71254754      6.20337431    -11.52002354
  H     12.35147663     13.44204249     -8.35732730
  H     13.70702847      3.45187944    -12.29055151
  O     12.14816959      5.73443675    -10.89841367
  H     12.66208205     13.17192360     -9.84989773
  H     16.69446761      7.51926361    -14.18948213
  O     12.57502656     13.66122970    -11.52190411
  H     16.29663574     10.02762621    -10.61681450
  H     17.05629662      6.91754943    -12.83172844
  O     14.27424274     10.11232483    -16.00818116
  H     16.17988786      9.13732042     -9.35739208
  H     14.38341149      6.96325211    -15.24389042
  O     16.19410699      7.26233241     -9.04015884
  H     15.89475046     11.91435388     -9.56920724
  H     14.75316884      8.47489586    -15.51087402
  O     13.75029509      4.37212357    -12.53616534
  H     14.74662893     12.89936668     -9.27215615
  H     14.25284159      7.21684092     -8.82771139
  O     17.40094483      7.48913419    -13.52787772
  H     13.30572840      8.62420842    -12.27241235
  H     13.14041047      8.26384429     -8.92961880
  O     15.00182318      7.66965091    -15.03117066
  H     14.30199648      8.12643325    -13.39477269
  H     15.58021338      9.38103710    -12.34409580
  O     13.29784451      7.31158710     -8.91819941
  H     13.01796086      4.82216262    -15.63027358
  H     17.02422524      9.17014339    -12.80212364
  O     16.44100196      9.82795776    -12.40040767
  H     13.36480712      5.11958404    -14.15557617
  H     12.26565847      9.76075614    -10.77250430
  O     11.81021386      9.55019499    -11.59964133
  H      9.30141519      7.59774403    -11.68717090
  H     11.91815681     10.30276199    -12.19703168
          69
 Energy    -248.93213126925616     
  O      2.63659047      1.84742696      2.97949785
  H      2.67277711      1.63723983      2.03044835
  H     -2.72701517     -1.85838718      0.84007801
  O      0.41086065     -2.53464531     -1.26110522
  H      3.36578487      2.43390105      3.16224204
  H     -0.76093500     -2.74576007      1.88353676
  O      0.15180928     -0.35764720      0.41381845
  H      0.33563373     -1.73977230     -0.71018713
  H     -1.22037353     -1.60722817      2.86970642
  O      0.56466924     -3.75659479      1.26672527
  H      1.14317837     -2.36085365     -1.86284596
  H     -1.85033513     -1.28075046     -5.72561979
  O     -2.97079347      0.99208176     -0.79550483
  H     -0.32898386     -0.89590848      1.05464004
  H     -2.67692465     -0.36288026     -6.66031458
  O      2.14228938     -0.87952792      3.64077238
  H     -0.29506708      0.49819686      0.37693941
  H      2.06866089     -3.27259027     -5.55760174
  O      1.20208624      2.80331648     -1.49288558
  H      0.51884917     -3.55779834      0.32154544
  H      1.89153637     -2.31327776     -4.36094401
  O      2.48722537      1.10441642      0.35658274
  H      1.45670885     -3.50019855      1.53179483
  H      1.94964734     -0.66108821     -2.93842078
  O     -1.40597486     -2.81779373     -5.03137525
  H     -3.19390005      0.13058974     -0.42453725
  H      3.00227906     -1.45970396     -2.10191553
  O      0.82363833      0.79769440     -3.28931943
  H     -2.66827280      0.81570687     -1.69736829
  H      3.50586723     -0.38301549     -0.21499681
  O      0.83295276      0.07047719     -5.93488615
  H      1.21577558     -0.86562165      3.90694780
  H      3.57423135     -1.83953648      0.26905543
  O     -3.39324552     -1.72354332      0.14537020
  H      2.39166831      0.04406588      3.51445034
  H     -1.95517093     -0.78984744     -2.90543934
  O     -1.41125545     -2.03934480      2.02771911
  H      1.40824224      3.61852594     -1.94287495
  H     -2.02091225      0.11565970     -4.16108926
  O     -2.00217455     -0.35354298     -5.98739353
  H      1.09728740      2.12337501     -2.18130645
  H     -1.70465845      1.93321911     -0.01189516
  O      1.46213295     -2.64878297     -5.16597005
  H      2.19771255      1.77237440     -0.27673104
  H     -0.29155070      2.57301885     -0.25873556
  O      2.42513203     -1.50152615     -2.87932643
  H      1.74636810      0.48253348      0.44340543
  H     -0.57210946      0.38066595      3.85560114
  O      3.74595913     -1.27563656     -0.49501992
  H     -0.44185695     -2.87360739     -5.02348056
  H     -0.99371550     -0.41562449      5.11435283
  O     -1.86692748      0.12580252     -3.20854703
  H     -1.70235837     -2.88401894     -4.11433644
  H     -1.20624334     -2.61864273     -1.94446300
  O     -0.88895131      2.23710274      0.41859603
  H      0.95430979      0.69741167     -4.24390383
  H     -2.66474690     -2.34464191     -1.51666200
  O     -0.64842288     -0.51572194      4.23129296
  H     -0.10238621      0.56440710     -3.13098325
  H      2.80616391     -2.06462929      2.54913819
  O     -2.10614515     -2.49780537     -2.28752299
  H     -0.11870761      0.03519436     -6.09752640
  H      3.80592336     -3.22917441      2.37562582
  O      3.14041318     -2.72356730      1.91510603
  H      1.11048743     -0.84962813     -5.84321405
  H     -0.52457380      2.12618018      2.23525659
  O     -0.22748998      1.91688057      3.13126381
  H     -4.22307214     -2.02978838      0.50391829
  H      0.73009152      2.03574090      3.13316910
          69
 Energy    -248.93197074075914     
  O     15.15946417     11.80398079    -12.80162707
  H     15.91173970     11.20657885    -12.71697190
  H     12.24389162      7.34021331    -13.73442030
  O     18.62174209      8.90633716     -8.90247444
  H     15.02997929     12.19000953    -11.92551184
  H     12.15530349     11.01229453     -8.80757943
  O     15.58208149      5.64800290    -11.65773412
  H     19.03411715      8.84650882     -9.77288390
  H     11.73030622     11.51291986    -10.20171589
  O     12.61378756      5.45258515     -9.39975861
  H     17.90155234      9.54516899     -8.99085162
  H     14.17207619      8.15334459    -14.44383205
  O     18.35041089      5.96423646    -11.09903670
  H     15.48047753      5.88052537    -10.72216667
  H     13.61956785      8.24477544    -15.88610888
  O     17.98885984      6.34799486     -8.27588617
  H     14.79052722      5.15132774    -11.89546296
  H     19.09832967      7.49641476    -11.50343151
  O     17.09861616      9.81033658    -12.09926727
  H     13.52308668      5.62523338     -9.12193061
  H     20.32344034      8.29980230    -12.00396935
  O     14.76877420     12.68896509    -10.10794059
  H     12.67879409      5.04686290    -10.27153882
  H     14.96007175      7.16370634     -8.85015277
  O     16.36143024     10.47445030     -9.47958120
  H     18.28935848      5.94679087    -10.13533106
  H     16.17287442      6.21742345     -8.61421077
  O     13.46152965      8.81712794    -11.43439751
  H     17.47205867      5.72896249    -11.42256287
  H     10.15537193      7.96805085    -10.48944832
  O     10.68298358      7.24541032     -8.76858947
  H     18.50881539      6.04541165     -7.53647853
  H     10.38291830      7.76583380    -11.99550857
  O     11.94925243      6.98677763    -12.88594592
  H     18.21734119      7.28472846     -8.41709661
  H     11.28359977     11.00899424    -12.34921819
  O     12.35640603     11.67138443     -9.47755212
  H     16.83219678     10.02260152    -11.19289652
  H     10.34230536     10.11204394    -11.50947089
  O     13.36376152      8.29090521    -14.96865277
  H     17.97661611      9.41391075    -12.03950285
  H     11.39296571      8.73244521     -8.00945741
  O     19.46157964      8.39423405    -11.60797967
  H     14.76119303     13.61250368     -9.87157096
  H     11.48154036      9.61938488     -6.74730792
  O     15.27365144      6.25302738     -8.96143725
  H     13.89058080     12.33472447     -9.87520405
  H     12.59125111      3.84345972    -12.56317928
  O      9.90215587      8.30461635    -11.35695463
  H     15.92832897     11.32511877     -9.62588322
  H     12.56003035      5.38688706    -12.44821158
  O     10.72230875     10.99933382    -11.56226066
  H     15.66663976      9.87520483     -9.17099238
  H     12.88569041      9.98202908    -14.09383754
  O     11.86270629      9.48291042     -7.61114093
  H     13.08346318      9.58239368    -11.88644817
  H     13.58661244     11.14412075    -13.32905336
  O     12.98936803      4.58207638    -12.11002757
  H     14.20172152      8.52516800    -11.98369516
  H     13.92633126      8.82777540     -9.75235549
  O     12.74191849     10.68204840    -13.44906157
  H      9.94290720      6.73880846     -8.44173256
  H     13.54142499      9.04974838     -8.26718881
  O     14.26859170      8.79018048     -8.84339290
  H     11.38193664      6.60346977     -8.98647840
  H     16.08772398      8.57673565    -12.89925355
  O     15.44284911      7.92928798    -13.21837090
  H     12.36318790      7.55803868    -12.22010466
  H     15.57751721      7.10223083    -12.73516082
          69
 Energy    -248.93186245842401     
  O     -1.87855748      4.09151172     -5.31692055
  H     -2.36593365      4.55679408     -5.99128997
  H     -1.75482239     -0.72329788     -3.20821327
  O     -0.37885610      3.94026385      1.03991923
  H     -2.38498489      4.18190164     -4.48932346
  H     -0.40206725      2.29315066     -3.23857413
  O      2.61072861      3.06251561     -3.73437013
  H     -0.88502766      3.12229666      0.92850137
  H     -0.46375217      3.43666368     -2.15208026
  O     -0.47398503     -1.30294225     -2.24739133
  H     -0.28086561      4.07558800      1.99052669
  H      2.06504122     -0.18549949     -4.11114486
  O      2.35071755      2.46518637      3.09470487
  H      2.49090291      2.54460733     -2.92887718
  H      2.20622739     -0.00495852     -2.59043410
  O      0.98196419      6.80913665     -2.47672549
  H      2.53755587      2.42642896     -4.45751066
  H     -0.09820235      4.71391041     -4.83810308
  O      1.10845952     -0.13997789      2.95675577
  H      0.38986231     -1.21224323     -2.67641931
  H      1.32328248      4.33114029     -4.31366897
  O      0.34188453     -0.19232978      0.25933986
  H     -0.32569226     -1.09140413     -1.31907055
  H      2.43827834      5.74511193     -1.85180328
  O      1.98803835      1.46161559     -1.37316030
  H      2.54194000      2.77590793      2.19837568
  H      3.12269534      4.50398455     -2.44437100
  O     -3.13403226      4.25073487     -2.93139430
  H      2.08988029      1.53978242      3.01769156
  H     -0.77546080      4.82754200     -0.49416638
  O      1.85444367      1.06977307     -5.57338021
  H      1.03034451      7.72075626     -2.75049146
  H     -0.31497685      5.75771171     -1.66685055
  O     -2.44703440     -0.32166060     -3.76803100
  H      0.89315302      6.27140871     -3.28605072
  H     -1.56202321      1.36998233      2.65578656
  O     -0.32620208      2.49050443     -2.29670252
  H      1.26857254     -0.84230758      3.58183201
  H     -0.83832915      2.19364300      3.74182203
  O      2.02240519     -0.66204698     -3.27435942
  H      0.29064652      0.30860516      3.23868940
  H      1.41596830      3.65836973      0.62334289
  O      0.73684200      5.07159262     -4.51873811
  H      0.67853724     -0.29568098      1.15898872
  H      2.68688148      4.08663775     -0.17348888
  O      3.06957460      5.04409353     -1.64766823
  H      1.01133124      0.29507571     -0.23707482
  H     -1.40134935      0.93475649     -4.63655149
  O     -0.95171166      5.07946469     -1.41155454
  H      1.11859814      1.77291858     -1.68096952
  H     -1.24579055      2.39310467     -5.20537814
  O     -1.13290482      1.30155365      3.51971919
  H      2.26863952      2.07707086     -0.68128578
  H     -3.01407007      0.91931772     -2.39293098
  O      2.34955682      3.45185028      0.47578932
  H     -2.49654278      4.68872934     -2.34875674
  H     -2.00183575      1.92967567     -1.85240182
  O     -0.76595926      1.59364163     -4.94856860
  H     -3.30812778      3.39133080     -2.52792942
  H     -2.40149559      1.53186397      0.04368459
  O     -2.92730869      1.64834620     -1.76841994
  H      1.96552075      0.86334094     -6.49780157
  H     -1.08504319      0.90042359      0.56369062
  O     -1.78314138      1.53547222      0.78349447
  H      0.90498546      1.22342001     -5.42867852
  H      0.27635925      4.45967960      4.52932190
  O      0.13209020      3.86041516      3.80257710
  H     -2.97257949     -1.03845627     -4.11188706
  H      0.97868322      3.40618149      3.63677921
          69
 Ord_Energy   -248.931839    
 O   -1.71329451       7.48799229      -6.93789497E-02
 H   -1.83676231       8.37811279     -0.386604518    
 H   -1.72419584       7.52901745      0.905162632    
 O   -3.98698950       6.90889597       4.12162304    
 H   -4.53598404       6.40163708       3.50675607    
 H   -3.73230338       6.30263853       4.82538128    
 O    2.07545114       5.37548447       2.08444333    
 H    1.50959098       5.47893190       1.29719996    
 H    2.97546697       5.49643040       1.79510975    
 O   -3.26081872       5.15018606      0.107960492    
 H   -2.53611135       4.50921631      0.132971495    
 H   -2.85900235       6.00656080      -7.93256015E-02
 O   -3.25769639       2.11610222       3.02808070    
 H   -2.91307712       3.00928903       2.87566257    
 H   -3.90435457       1.91674376       2.33704734    
 O   -4.95214272       1.39298368      0.976728439    
 H   -4.93925858       2.04331803      0.260297805    
 H   -5.85167646       1.38989818       1.32718241    
 O   -7.09286308       4.19888639      0.401440084    
 H   -6.49896383       3.88717866     -0.292947769    
 H   -7.38795233       3.40668893      0.866565704    
 O   -2.64124775       8.55793208E-02  -2.44228393E-02
 H   -3.47373867      0.357024640      0.387601942    
 H   -1.93905413      0.318596125      0.594299793    
 O    8.16154182E-02   4.59379721       5.84021330    
 H  -0.887346029       4.65430498       5.87867117    
 H   0.389990747       4.56567144       6.74261856    
 O   0.630702257       3.33051825       3.33176637    
 H   0.548588991       3.61908174       4.25006771    
 H    1.23463297       3.94961262       2.89817238    
 O   -1.89924121       4.49882174       2.89901185    
 H  -0.997978508       4.15448236       2.94356060    
 H   -1.84956241       5.42901802       2.64891887    
 O   -1.74375594       7.31489468       2.61032009    
 H  -0.948531687       7.27613401       3.16146803    
 H   -2.52656722       7.34048748       3.18030119    
 O   -5.21320200       5.24680614       2.16954923    
 H   -4.45008802       5.22360516       1.57847953    
 H   -5.97183037       5.04305315       1.60275280    
 O  -0.848506629       1.41199946       1.84193587    
 H  -0.178996533       1.88558340       2.35193753    
 H   -1.67325211       1.51629603       2.33983588    
 O   -4.19899511       2.37370872       5.56903839    
 H   -4.22725964       1.55779886       6.06179190    
 H   -3.84532356       2.15984750       4.68687677    
 O   -2.62923145       1.75521076      -2.16437554    
 H   -2.40345383       1.33278096      -2.98856688    
 H   -2.62740397       1.06107056      -1.48040092    
 O   0.553233385       6.81697416       4.02817106    
 H    1.16134214       6.42427444       3.38861990    
 H   0.441966414       6.15826130       4.72299433    
 O   -6.35148668       3.38914180       3.95960832    
 H   -5.72012806       3.09433722       4.62375164    
 H   -5.89972067       4.05945778       3.42729282    
 O   -2.66336060       4.73429108       5.56308222    
 H   -2.46011138       4.70381021       4.61456108    
 H   -3.22312331       3.96813035       5.74120808    
 O   -7.49337673       1.85032988       2.05561161    
 H   -8.32085514       1.46849906       2.33385468    
 H   -7.15492439       2.37308836       2.80586267    
 O   -1.19132686       3.28403521     -0.254327983    
 H   -1.58416021       2.81896615      -1.00297523    
 H   -1.04614282       2.63070965      0.442180544    
 O   0.402617931       5.56644201      -8.24552961E-03
 H  -0.233465955       6.28042221     -0.131795019    
 H   -7.45159015E-02   4.74393225     -0.184539825    
 O   -4.83751202       3.24645901      -1.12297034    
 H   -4.35499239       4.00847483     -0.767265677    
 H   -4.20179081       2.75906587      -1.66015029    
          69
 Energy    -248.93174992558272     
  O     19.59615065      9.61410944    -15.04936024
  H     20.04875889      8.80176456    -14.77559141
  H     14.21799778      9.31838182    -14.55974380
  O     21.38192896      6.80850526    -11.50163179
  H     18.82466196      9.33623746    -15.55475553
  H     17.96452969      6.81210177    -12.10440409
  O     15.50153229      9.35432252    -10.44626225
  H     20.94370984      7.58757196    -11.12446648
  H     18.90129078      7.18808967    -13.31072164
  O     12.47961308      9.67105416    -13.94858518
  H     20.90983622      6.03303342    -11.18010178
  H     14.60653501      6.45338619    -12.85438393
  O     17.25101870      8.68502273    -16.50076354
  H     14.57738365      9.61472431    -10.56865159
  H     14.70075670      7.22778562    -14.19242760
  O     11.72732550      7.10591895    -13.45090994
  H     15.97305789      9.56376483    -11.26705992
  H     17.66104485      8.78925198     -8.09642791
  O     17.58313744      6.08439696    -10.44022004
  H     11.79572954     10.18205143    -14.37398638
  H     16.87624076      8.88059368     -9.42544217
  O     14.92609224      6.66546117    -11.03152135
  H     12.12419382      8.77199016    -13.82785988
  H     21.04862583      4.58726600    -16.35926159
  O     19.79513823      4.46638533    -10.85083376
  H     16.46007662      8.77179171    -15.94609668
  H     19.69761133      5.29617866    -16.09330669
  O     20.58218737      7.24206160    -14.05175038
  H     17.04346277      9.11204358    -17.32978985
  H     12.48037532      8.82805158    -10.85978001
  O     19.15074749      3.82059757    -13.40505133
  H     11.66994334      6.97312871    -12.49694808
  H     12.73894921      9.79883278    -12.02705413
  O     15.10635830      8.98671748    -14.74014688
  H     12.56628808      6.69669776    -13.70876784
  H     19.77395009      9.72958987    -11.33639088
  O     17.98573043      7.17369160    -12.99998256
  H     17.75455894      6.82093158     -9.83903561
  H     19.20617015      8.98795891    -10.10314721
  O     14.40629319      6.39480965    -13.79952682
  H     18.34468436      5.48954287    -10.43176617
  H     19.48023408     10.55002644    -13.60523096
  O     17.68206627      8.52586100     -9.01307379
  H     15.06976917      7.60517480    -10.84906619
  H     19.73689926     11.84538662    -12.79701627
  O     20.50174791      4.94715053    -15.66674039
  H     15.76437255      6.23471090    -10.82073005
  H     15.85004077      5.26243175    -14.25690543
  O     12.86708832      9.68514923    -11.07765721
  H     19.58712088      4.19818982    -11.76451261
  H     17.23211311      5.81201262    -13.89740894
  O     19.97651106      9.05537070    -10.67771466
  H     20.18991170      3.70898281    -10.42712229
  H     17.89936705      6.87448889    -16.61515882
  O     19.31728231     10.99108120    -12.75052724
  H     21.01048516      7.08264167    -13.19638999
  H     17.58087263      5.53640970    -15.92615298
  O     16.78973000      5.05878597    -14.32176293
  H     20.68987500      6.45509604    -14.59789204
  H     13.13263239      6.69447767    -10.70475841
  O     18.15822921      5.94671501    -16.58582181
  H     18.25178959      4.04183694    -13.68217071
  H     11.84903044      6.41186673     -9.89412174
  O     12.18924855      6.91405241    -10.63034554
  H     19.71545812      4.08455639    -14.14144865
  H     17.63029435     10.28064978    -12.75460680
  O     16.89121439      9.66087749    -12.77307625
  H     15.68474180      9.33146268    -14.04214580
  H     17.28101429      8.77673034    -12.87394481
          69
 Energy    -248.93159989559956     
  O     14.36818458     12.28255722    -11.22408384
  H     14.29336406     13.03548822    -10.64410110
  H     14.34808965      7.81303341    -14.63406759
  O     12.62412975      5.97521846    -12.92318220
  H     14.85501877     11.59470789    -10.73307652
  H     16.81322773      5.44451360    -15.62040922
  O     17.33062258     10.28150309    -14.20391793
  H     13.14769675      5.18477542    -13.10923205
  H     15.44411152      6.10978009    -15.28739009
  O     16.82001728      8.72836749    -11.94408274
  H     13.25691664      6.70185116    -12.80258501
  H     17.00955683      5.95061957    -13.46275115
  O     15.67253346     12.37782130    -13.73506394
  H     16.88347853     11.10496882    -13.95706303
  H     18.46203254      6.32730655    -13.13184909
  O     13.34572953      6.22445077    -10.16057837
  H     16.83769627      9.94064559    -14.96238927
  H     15.15723846      8.34561241    -12.52127473
  O     15.77858236      9.58861554    -16.44179222
  H     17.17392602      7.84495694    -12.11618756
  H     13.72748555      8.94429263    -12.62669009
  O     13.83936476     11.54580547    -15.79023172
  H     17.06892062      9.28737783    -12.69338385
  H     13.18115599      7.86374147     -9.67520503
  O     18.28394509      5.76654925    -16.66982775
  H     15.00009834     12.18467506    -14.40024849
  H     12.63385271      8.82442959     -8.59777083
  O     11.48771209      7.23190486    -15.09709983
  H     15.21825091     12.40981373    -12.88411597
  H     14.43683423      2.94536422    -13.69303247
  O     15.65638613      4.97210161    -11.04948982
  H     14.21321054      5.82203570    -10.31634140
  H     15.04431907      4.32074500    -14.05480800
  O     14.27917366      7.46813452    -15.54072185
  H     12.83404840      6.02698841    -10.95223591
  H     11.69397830      9.13603174    -14.76340688
  O     16.06059081      5.41489011    -15.01579422
  H     15.25647419      8.79707977    -16.24676529
  H     11.97294620     10.13533801    -13.61558496
  O     17.58927239      6.20170020    -12.73231060
  H     15.17095082     10.33232816    -16.34479727
  H     19.87715365      7.60783709    -14.53549204
  O     14.28845719      8.21681750    -12.92166451
  H     13.13692161     11.01133365    -15.38028140
  H     19.39821991      6.27541802    -15.13450836
  O     13.05574478      8.80361737     -9.45257348
  H     13.40367361     12.17932499    -16.35505142
  H     16.06689766      9.66033547    -10.54212883
  O     14.43644307      3.86676782    -13.44664573
  H     18.23489575      6.70026044    -16.94412536
  H     14.76906108      9.64846443     -9.69332955
  O     11.90769878     10.05693695    -14.57726902
  H     18.66703911      5.28606451    -17.39885972
  H     18.83471220      8.82280692    -16.62596917
  O     19.77320304      6.66875406    -14.33735240
  H     11.76639333      6.73960304    -14.30602235
  H     17.37165351      8.87656805    -17.12265031
  O     15.51605454     10.19951886     -9.95756048
  H     10.67893819      6.82809269    -15.40076135
  H     20.45661629     10.11399928    -14.99533658
  O     18.21026892      8.40991346    -17.23581095
  H     16.44138426      5.37487936    -11.44088032
  H     18.97160126      9.81702894    -14.68770432
  O     19.78079306      9.44627586    -15.07927694
  H     15.26285562      4.45120781    -11.75913804
  H     13.10948009     10.99552917    -11.70649110
  O     12.59286445     10.19272361    -11.85924602
  H     13.33751261      7.32527011    -15.68243172
  H     12.59545523      9.71069972    -11.02104729
          69
 Energy    -248.93151010563219     
  O     14.46429170      5.34009619     -9.02495613
  H     13.63452729      5.51961361     -9.48502444
  H     13.48749136      8.91600641    -13.76652296
  O     14.30419063      8.34781545    -16.60693585
  H     15.07299602      5.00586419     -9.69767757
  H     16.97284151     10.35728238    -11.95819199
  O     17.87366228      8.59061316    -14.60538052
  H     13.78549252      8.26008142    -17.40260006
  H     17.56931280      9.27297663    -12.94375077
  O     16.05215151     11.86697167    -11.83712788
  H     13.68704070      8.57871123    -15.89132308
  H     14.25066996      8.66808800    -11.61550583
  O     11.67673960      6.51525964    -13.59643800
  H     17.23673842      7.88206919    -14.77561925
  H     15.57584735      8.89694731    -12.38923086
  O     18.38889315      3.68140929    -12.44840764
  H     18.73697854      8.16760549    -14.51539854
  H     13.07567800      6.12493758    -11.48137046
  O     17.45729617      7.32521490    -10.32181626
  H     15.23225723     11.79440442    -11.33541967
  H     12.64787825      7.22875948    -10.48876699
  O     13.39772699     11.54793071    -10.66805258
  H     15.79406137     12.16576089    -12.71893004
  H     21.09488349      7.16745618    -14.27730487
  O     18.32957965      4.96003743    -14.84341463
  H     11.46173285      6.49084022    -12.65738953
  H     20.04001339      6.78734301    -13.20987315
  O     15.12940161     12.50514318    -14.45229708
  H     12.54389011      6.09231656    -13.65043836
  H     15.04051990      5.44550076    -12.39541390
  O     12.72992179     11.52896686    -13.29969307
  H     18.71030374      2.78912691    -12.54355392
  H     14.53734923      6.85334741    -12.82529738
  O     12.76928847      8.92688913    -14.41947884
  H     18.34124417      4.06246049    -13.34367965
  H     16.85971962      9.89313885    -15.46895218
  O     17.26883801      9.43819329    -12.04018777
  H     16.90608836      7.52958762     -9.55826985
  H     15.52417704      9.77357937    -16.22414061
  O     14.67634168      8.56134405    -12.47713818
  H     17.43453138      8.10491875    -10.89805711
  H     15.44194281      7.07748445    -15.80556362
  O     12.44042195      6.33032666    -10.78406144
  H     13.08792188     11.53335656    -11.59207930
  H     15.45234209      6.22356774    -14.51298356
  O     20.15798455      7.06174564    -14.13728038
  H     12.96771910     12.28893526    -10.24863028
  H     19.02384351      6.56768565    -11.06640827
  O     14.41902350      5.90105558    -12.98127429
  H     17.52469828      5.42174468    -15.11050450
  H     19.33346384      5.23513903    -11.78136581
  O     16.13395090     10.41300635    -15.83825442
  H     19.01157253      5.63802015    -14.75777172
  H     16.68480569      5.78476694    -10.91593962
  O     16.01294471      6.55970267    -15.22404937
  H     15.29854559     13.30196596    -14.94797769
  H     16.94243467      4.39381933    -11.55777161
  O     19.66890239      6.12831563    -11.63531076
  H     15.49966939     11.76963050    -14.97189250
  H     15.62408629      7.82270980     -7.36153488
  O     16.25698034      4.95440050    -11.17463878
  H     12.54536040     10.69915294    -13.75623472
  H     15.11429579      6.85834842     -8.46121762
  O     15.48233703      7.74709426     -8.30155280
  H     13.48672045     11.91938518    -13.75717813
  H     13.43397214      9.80194499    -10.08336722
  O     13.50063111      8.84063284    -10.00409757
  H     12.20693401      8.16966689    -14.20434254
  H     14.18571809      8.62702838     -9.35709337
          69
 Energy    -248.93129152833626     
  O     -5.07587630      4.35655298      2.33141667
  H     -4.87265421      4.80299921      1.48841444
  H     -4.18848689      4.03165960     -3.07092811
  O     -3.70261841     -2.32001029      1.25003480
  H     -5.97374387      4.58476171      2.55622299
  H     -0.87487470     -2.23450078     -2.80959855
  O     -0.82810004      3.98036004     -2.03398971
  H     -3.85520529     -1.90497847      0.38216499
  H     -1.05946474     -2.04545206     -1.28535101
  O     -3.51520058      1.60129560     -1.06843157
  H     -4.40906389     -2.94669009      1.38221334
  H     -0.99893409      3.46811246      3.05598134
  O      1.53092665      0.34168608      4.22561920
  H     -0.71743825      3.02141393     -2.03130510
  H     -1.02126156      2.95920336      4.50063838
  O      1.45022953      4.53249532      2.60287742
  H     -1.76785316      4.12947557     -2.19342647
  H     -2.01095836      7.97256819      1.22098356
  O     -1.17787673      2.92751456      1.34570839
  H     -3.66326493      1.71938663     -0.11920419
  H     -2.27870308      6.62508407      1.93542426
  O     -1.16484708      1.17738150      4.94864162
  H     -2.56608164      1.45996764     -1.20376975
  H     -2.80045265      2.39785446      1.55408003
  O     -3.88805074     -1.18504534     -1.21776538
  H      2.15354195      0.12632024      4.91635169
  H     -4.25711738      2.74105141      1.97199922
  O     -2.63945049     -0.24905910      2.86617765
  H      1.95997126      1.00120084      3.65855615
  H     -2.12666757      5.10624389      3.71631364
  O     -0.02773411     -0.97370916      2.28559335
  H      1.05054309      4.86269407      1.78690397
  H     -3.56606217      5.24262608      3.16351517
  O     -3.69665938      4.06360481     -2.25402341
  H      0.72595452      4.41012295      3.23201905
  H     -0.17250310      1.10981094     -0.91922121
  O     -1.20769759     -1.62827356     -2.15325059
  H     -0.52226161      2.25273030      1.13243733
  H     -0.89340685      0.20790701     -1.94654400
  O     -0.89184417      3.75917264      3.97456313
  H     -0.87909932      3.74699670      0.92961371
  H     -4.09820823      5.13077973     -0.76748798
  O     -2.06237892      7.03167963      1.07565562
  H     -1.74430782      0.65001593      4.38575239
  H     -3.53850940      6.14442025      0.26455285
  O     -3.69102952      2.02320275      1.66471121
  H     -0.26848828      0.86411476      4.77928206
  H      0.50733216      0.28844137      1.12947391
  O     -2.75756721      5.73680381      3.34310278
  H     -3.93490969     -0.22006843     -1.22187057
  H      1.52576967      1.45742368      1.10022291
  O     -0.80698671      1.12271383     -1.64971507
  H     -3.06482242     -1.40147921     -1.67266785
  H     -1.91501183     -2.74907597      0.66941921
  O     -4.30149436      5.59139326      0.05535503
  H     -3.06355698     -1.00137101      2.43383388
  H     -0.51167693     -2.22657909      1.00036037
  O      0.77729539      1.07310504      0.62989855
  H     -3.06355130      0.53981725      2.49901053
  H      3.61304868      2.30378502      2.22759347
  O     -1.01193842     -2.71092058      0.33025981
  H      0.54119246     -0.69977304      3.01442348
  H      2.28152085      3.04069132      2.50691450
  O      2.69188279      2.15983543      2.42740446
  H     -0.93208373     -0.70528141      2.51157556
  H     -0.70504473      5.92695521      0.47737566
  O     -0.06449378      5.22713199      0.29423111
  H     -3.72357409      3.16803411     -1.87570281
  H     -0.23416966      4.89120546     -0.59951478
          69
 Energy    -248.93117666714795     
  O     11.07334137     10.19176049    -11.55594007
  H     11.75948967     10.79397190    -11.86646230
  H     17.84772531      7.71645244    -16.75115851
  O     13.39446780      8.00506043    -15.63056157
  H     10.55176101      9.96091284    -12.33625345
  H     16.30158026     12.03386087    -14.15386027
  O     17.11409284      9.51487677    -10.19178240
  H     13.42931577      7.28398127    -14.98903800
  H     15.91814344     13.52744732    -14.08534991
  O     18.05083152      9.46531427    -16.80086652
  H     13.88047795      7.74071200    -16.42655060
  H     16.03855567      7.85096744    -14.22433483
  O     12.08459383     10.32517605    -15.16336926
  H     16.99977650      8.60221310     -9.90107485
  H     14.89804394      8.69578305    -14.81496460
  O     16.53230681      6.71095128     -9.93131614
  H     16.30725217      9.72301375    -10.68532899
  H     11.28431224      8.66300557    -10.72961924
  O     13.72959688      6.09562084    -13.58372826
  H     18.04641835      9.99137654    -15.99296423
  H     10.76992236      7.68814077     -9.64410020
  O     14.86401888      9.65831381    -11.82451860
  H     17.32279761      9.80153530    -17.34095548
  H     18.47613004      7.72795490    -12.33676562
  O     15.75072304     10.25696902    -18.26383199
  H     11.20787207     10.07200956    -14.85329468
  H     17.63787099      6.75242692    -11.48356249
  O     17.53970246     10.73051052    -14.27985294
  H     12.53119051      9.48849605    -15.37375087
  H     11.05524061      7.00905736    -12.14231744
  O     15.03559780      7.54280019    -17.75616569
  H     15.61789165      6.78312667    -10.25204429
  H     11.81545535      6.44313118    -13.35729759
  O     17.63333469      6.76711624    -16.77932232
  H     16.53458212      6.03240302     -9.26099367
  H     19.86353606      9.80082730    -11.78246427
  O     15.54963627     12.64895054    -14.14272601
  H     14.62315762      5.88518563    -13.88953227
  H     18.37326722      9.65491817    -11.39284254
  O     15.69492846      8.75204152    -14.27418365
  H     13.83929718      6.42573792    -12.68157607
  H     17.10400213      6.20616181    -13.63807447
  O     11.35881579      7.75232104    -10.39094798
  H     14.23131198     10.34694849    -12.05985464
  H     16.88432169      6.17045789    -15.18523822
  O     18.10611305      6.83838293    -12.32366693
  H     15.21364882      9.32366253    -12.66378371
  H     14.67035556     12.03006206    -15.72671188
  O     10.97928243      6.84184836    -13.09040166
  H     15.19100018     10.75002310    -17.63819349
  H     13.39724686     11.25391417    -16.13062277
  O     18.99824965      9.61657363    -12.13905817
  H     15.68845540     10.71053264    -19.10038924
  H     14.29014148      8.09493650    -11.24969632
  O     16.44228818      6.06138901    -14.33327497
  H     16.87879485     10.02197294    -14.36197178
  H     13.12495616      7.28266416    -10.64358397
  O     14.23338238     11.59849373    -16.46978507
  H     18.13311648     10.45178330    -13.57133500
  H     13.95125645     12.06392786    -13.24075083
  O     14.02788771      7.20188280    -10.97433534
  H     15.24051052      8.44568510    -18.03316986
  H     12.79839918     11.14519210    -13.70285937
  O     13.18975934     11.56496220    -12.92128009
  H     15.87850189      7.15392560    -17.49468144
  H      8.93493174      9.02107148    -14.18809294
  O      9.83588384      9.18007104    -13.92010278
  H     18.32103747      6.34747440    -17.28973702
  H     10.22641807      8.31023256    -13.72066718
          69
 Ord_Energy   -248.930939    
 O   -4.95635509      -3.66790056       9.71686649    
 H   -5.19684649      -3.05002046       10.4020176    
 H   -4.46300697      -4.38905954       10.1479588    
 O   -7.84603262      -8.25584221       3.29100180    
 H   -8.30983925      -7.53207397       3.75067139    
 H   -8.40268612      -8.52510357       2.56595683    
 O   -6.00643015      -7.46530390       10.0693998    
 H   -6.08947086      -6.78722525       9.38695812    
 H   -6.84230375      -7.94776487       10.0784988    
 O   -1.66356707      -8.18354607       5.03861237    
 H   -2.45032668      -8.63480949       5.37352419    
 H   -1.95360732      -7.73558855       4.23576212    
 O   -5.48453188      -6.67589998       3.52751184    
 H   -6.23212099      -7.25712347       3.34913015    
 H   -5.81244135      -5.98482037       4.11577606    
 O   -4.13231373      -8.98693466       6.11530685    
 H   -5.05190802      -9.09371281       5.84023809    
 H   -4.10511398      -9.18255806       7.06263161    
 O  -0.127985835      -7.07673216       7.02699757    
 H   0.772455752      -7.37172890       6.92212486    
 H  -0.634337187      -7.46661568       6.29246664    
 O   -3.94166183      -6.28993559       6.73629427    
 H   -3.46337509      -5.74736309       6.09879303    
 H   -4.01689672      -7.18303061       6.37272596    
 O   -6.89493513      -9.23531628       5.75949478    
 H   -7.32292175      -8.54929256       6.29102182    
 H   -7.20871878      -9.09933662       4.85799360    
 O   -6.56001091      -4.61546659       5.22236919    
 H   -5.96340513      -3.86927700       5.07701635    
 H   -6.49615812      -4.82036066       6.16213512    
 O   -2.65813708      -4.71910763       4.72680616    
 H   -3.30780053      -4.01698446       4.60165644    
 H   -2.69070148      -5.31495285       3.96881318    
 O   -6.61586094      -10.6105042       8.22870445    
 H   -5.70736122      -10.4014196       8.47782612    
 H   -6.70786667      -10.3445826       7.30366468    
 O   -8.22259617      -7.28475046       7.32135534    
 H   -8.41838837      -7.81128311       8.10613441    
 H   -7.58316422      -6.60852146       7.58338737    
 O   -1.10244548      -4.31320477       6.97952271    
 H   -1.48378456      -4.39080906       6.09213972    
 H  -0.674754381      -5.16186857       7.13103342    
 O   -8.32279396      -8.99116993       9.57501507    
 H   -8.98172379      -9.45846176       10.0805311    
 H   -7.76892519      -9.66333485       9.13692284    
 O   -2.26716185      -7.19601345       8.80735493    
 H   -2.84148955      -6.78142834       8.14614964    
 H   -1.40064442      -7.23792171       8.38640690    
 O   -6.17385149      -5.47520494       7.97570086    
 H   -5.36405373      -5.78389549       7.53195190    
 H   -5.91322994      -4.74946690       8.55742550    
 O   -2.88284922      -6.76224899       2.85127401    
 H   -2.79645801      -6.87621546       1.90913367    
 H   -3.83627129      -6.79172182       3.05485988    
 O   -4.16212654      -9.25201893       8.90107822    
 H   -3.34811997      -8.73315907       8.95882893    
 H   -4.82775068      -8.70397282       9.34022045    
 O   -8.86106777      -6.22773170       4.78276062    
 H   -8.86831665      -6.59086561       5.67881918    
 H   -8.19850159      -5.52455950       4.80206394    
 O   -4.56835842      -2.65709758       5.03461599    
 H   -4.17345285      -2.65304327       5.92753553    
 H   -4.53548956      -1.75990641       4.71455526    
 O   -3.76954722      -5.85809040       10.7711582    
 H   -4.50405550      -6.48402119       10.8028469    
 H   -3.09431958      -6.27764034       10.2206678    
 O   -3.41188526      -2.81113791       7.46110868    
 H   -3.86718082      -3.06390953       8.27067471    
 H   -2.56804514      -3.28660011       7.44630671    
          69
 Energy    -248.93086929974180     
  O     12.19035787      9.66363654    -13.26419935
  H     12.45358995     10.41006862    -13.81723843
  H     15.82926530      7.09908998    -17.72887504
  O     14.72940186      6.64871874    -14.93670225
  H     12.16862668      8.89200732    -13.85139565
  H     18.56741500      7.54419557    -15.23849503
  O     16.12703433     11.60868180    -10.63344399
  H     15.22181730      6.42815073    -15.73838565
  H     19.54709180      7.38577724    -16.42099468
  O     17.15998486      9.92363138    -17.05422091
  H     15.11590382      7.45886642    -14.57336525
  H     13.03471174     12.43929821    -15.29589708
  O     12.13088350      7.47378566    -14.96169233
  H     15.68218005     12.24943032    -10.08481820
  H     14.24903690     11.51941922    -15.03666188
  O     16.52708960      7.28081110     -9.72231381
  H     15.45202309     10.97549193    -10.93167559
  H     15.90629673      9.67048003    -14.26222440
  O     14.42201899      5.52902591    -12.44059897
  H     17.73212869      9.19323697    -16.79249818
  H     15.40146142      9.09746203    -12.91552067
  O     14.37028744      9.72073045    -11.53715450
  H     16.47046046      9.53661343    -17.60963002
  H     11.40173213      8.72613361    -11.87423818
  O     15.04998852      8.65863101    -18.46580824
  H     13.04654523      7.17046619    -15.06628434
  H     10.32575724      8.40980683    -10.81369000
  O     17.23864462      5.52640993    -11.88888396
  H     11.72042721      6.82737891    -14.37213681
  H     20.49487662      9.88212711    -11.89750792
  O     15.98408582     11.31675164    -15.04473428
  H     15.56303660      7.25391944     -9.73289242
  H     19.09056438      9.60345589    -11.30774873
  O     16.23122225      6.39239914    -17.20604158
  H     16.81311491      6.63041575    -10.37486444
  H     11.29042377      6.42077118    -12.20705276
  O     18.64149007      7.59493762    -16.20430196
  H     15.33693995      5.35318922    -12.19131635
  H     12.41289382      5.46800763    -12.65830185
  O     13.27609488     11.55106571    -15.04514301
  H     14.47355734      5.84098301    -13.35690110
  H     18.42541959     11.07561166    -12.80768776
  O     15.83479544      8.85902411    -13.74374616
  H     14.25612996      8.90163792    -11.03556239
  H     17.22540136     11.79861750    -12.17378619
  O     11.14637263      8.09346800    -11.18416499
  H     13.60669583      9.79176390    -12.12556838
  H     17.38137404      8.05203409    -13.54076568
  O     19.60387481      9.64317492    -12.13719539
  H     14.77815740      8.73943541    -19.37629957
  H     18.82086870      8.25191891    -13.00727811
  O     11.51588945      5.75520918    -12.86784811
  H     14.27736596      8.89588308    -17.92361091
  H     17.52093506      8.78055762     -9.80445442
  O     17.73958299     11.72787684    -12.98838669
  H     17.84889138      4.79320610    -11.85520934
  H     17.39882221     10.30697767    -10.04509330
  O     18.24355666      7.61523989    -13.45028708
  H     17.64098624      6.19615419    -12.46447795
  H     12.50780569      8.68573436    -16.35476394
  O     18.03371976      9.58567775     -9.96976767
  H     16.44577988     10.93982559    -15.81002252
  H     13.01655744     10.14112270    -16.34545567
  O     12.94026582      9.35631843    -16.89944106
  H     16.64106697     11.57563600    -14.38106721
  H     13.95642404      6.65372142    -11.09920253
  O     13.75935821      7.28609324    -10.39056189
  H     17.10077359      6.71737021    -16.94236404
  H     12.82000607      7.49292647    -10.46060621
          69
 Energy    -248.93052550525888     
  O     12.73536690      8.91694768    -17.29356607
  H     11.79063320      8.76071915    -17.16313667
  H     17.28653782      9.27516487    -12.58764799
  O     10.78592615      9.22128254    -11.20667978
  H     12.82118197      9.86187195    -17.46795058
  H     14.92889074      6.08852587    -12.82913056
  O     13.48003295      8.21238187    -14.75950876
  H     11.62966299      8.86286772    -10.89995577
  H     14.38623655      7.38178077    -13.47277290
  O     14.28468681     12.67467065     -8.48913579
  H     10.87461807     10.18187232    -11.14835357
  H     13.57295590     13.68496963     -9.98481520
  O     12.75732864     11.79870164    -17.64429089
  H     12.64755751      8.50530506    -14.35917019
  H     12.47706678     13.46960253    -11.03139910
  O     11.04213800      9.21383040    -13.92643954
  H     13.35917564      8.31961413    -15.71466153
  H     13.72492799      9.38734888    -11.07012833
  O     14.47640756      9.94476540     -8.44325507
  H     14.24177406     11.70307984     -8.43660973
  H     13.89843159      7.86909769    -11.22505194
  O     14.15921559     10.95623954    -11.81377672
  H     14.15673440     12.99850116     -7.60131038
  H     18.40596735     10.65542272    -14.44121724
  O     16.92386417     12.97073675    -12.85516740
  H     13.09978661     12.28889614    -18.38828543
  H     17.42772282     11.47878613    -13.56517777
  O     11.54877162     11.96309471    -11.58055539
  H     13.07730434     12.24983503    -16.84663692
  H     11.92941853     12.33433879    -14.58711015
  O     13.59665036     12.83477904    -15.20654624
  H     10.85928417      9.08762192    -12.98470781
  H     10.53841675     11.93017525    -15.13232033
  O     17.05968985      8.66972010    -11.87181219
  H     11.08727979     10.16920984    -14.07296322
  H     16.72412272     11.33067610     -9.95415350
  O     14.86494957      7.03236303    -12.70288527
  H     15.41041238      9.77077006     -8.61617636
  H     15.73286449     12.47845869     -9.63108608
  O     13.22539418     14.04201677    -10.80951972
  H     14.00155355      9.36615127     -9.05343572
  H     15.85247799     10.46511801    -14.42120730
  O     13.47479619      8.53597163    -10.67555723
  H     14.44207156     10.85800685    -12.73138594
  H     14.48578836      9.70750452    -14.62898280
  O     17.60710749     10.59000408    -13.92537879
  H     14.87713854     11.38518783    -11.33476020
  H     10.86732617     11.63726712    -17.24398500
  O     11.07017046     11.97894548    -14.32526979
  H     16.17203132     13.53581289    -13.06383130
  H      9.86708437     10.55347987    -16.80556323
  O     16.33247187     12.14005674    -10.30827262
  H     16.83605336     12.76794406    -11.91144956
  H     17.95882234      9.31034302     -8.93058972
  O     14.89453562     10.56916928    -14.47682700
  H     12.45244972     11.61642221    -11.64969577
  H     17.13935559      9.23455240    -10.24100212
  O     10.00713540     11.50855741    -16.82409490
  H     11.22845041     12.06459507    -12.48757088
  H     14.07901583     14.36335027    -12.31976062
  O     17.17503397      9.64455776     -9.35772883
  H     13.87879524     13.51093527    -14.57906047
  H     14.59513643     15.49456481    -13.22980044
  O     14.52529722     14.54487792    -13.16538752
  H     14.10067495     12.03343289    -14.99075617
  H     10.29264277      8.76700039    -15.49692084
  O     10.01623488      8.66585090    -16.42377159
  H     16.34596685      8.10511393    -12.19167897
  H      9.32343437      8.01052780    -16.43286188
          69
 Energy    -248.92995877981912     
  O     19.26709438     11.75050487    -19.40402625
  H     18.74718994     12.55337588    -19.59260971
  H     21.58611548     16.05950415    -17.53213330
  O     20.33886678     18.24758603    -15.54806953
  H     19.25363191     11.22222451    -20.19771823
  H     14.71000001     13.83815430    -13.69871106
  O     22.33676651     12.44131662    -15.55853500
  H     20.15105689     17.72766969    -14.75595752
  H     14.62268922     12.31894706    -13.46143105
  O     16.23944977     14.97018972    -13.49728393
  H     19.55039862     18.20061742    -16.10806409
  H     22.42770975     14.21257240    -14.78600815
  O     16.02286405     13.44417442    -17.54448636
  H     23.07650015     11.84330475    -15.49576763
  H     22.61180658     15.71753985    -15.10306118
  O     15.81243559     10.84946871    -13.06123521
  H     22.12658043     12.53057547    -16.50624989
  H     18.50220409     12.54332110    -13.62992011
  O     13.72459944     12.28454168    -16.43641979
  H     16.78382944     14.16875691    -13.45061977
  H     17.21032129     12.03733261    -12.90979605
  O     21.59752806     12.79996785    -18.13115235
  H     16.59292966     15.53586497    -12.80943936
  H     16.45240196     10.53755868    -16.19201312
  O     22.60809500     17.11962770    -16.44359220
  H     16.67489356     12.76876329    -17.30899510
  H     14.94130085     10.82488715    -16.05238844
  O     19.58588899     12.39312600    -15.04599919
  H     15.16176298     13.09240058    -17.28741216
  H     18.31982432     17.53225504    -18.06245395
  O     17.73108166     13.94606183    -19.73959667
  H     15.78601661     10.57201568    -13.99522907
  H     17.42226425     17.31465459    -16.83826410
  O     20.90569943     15.49295598    -17.91737382
  H     15.58328025     10.08499228    -12.53993258
  H     20.91332825     15.81225867    -13.69657448
  O     14.15942045     13.06341534    -13.86563607
  H     13.80428229     12.61582019    -15.52392079
  H     19.62323520     15.87316398    -12.80250915
  O     22.39980188     15.09417286    -14.39668327
  H     12.79417939     12.26269356    -16.64246835
  H     18.77389762     14.86084432    -10.57296600
  O     17.85395768     12.75592751    -12.94339800
  H     21.42438749     13.75087243    -18.17513071
  H     18.41100625     14.13980118    -11.88495978
  O     15.65912380     10.28573911    -15.69880601
  H     20.85943127     12.37548892    -18.58326461
  H     18.50325872     11.65540860    -16.29440597
  O     18.10002209     17.90096051    -17.19947269
  H     23.30496173     17.76080128    -16.54783218
  H     18.36338897     11.38472431    -17.81687865
  O     20.04523329     16.23447106    -13.58996454
  H     21.82107801     17.60606042    -16.13118404
  H     19.45884219     15.42815020    -15.07711827
  O     18.61325286     15.00863999    -11.50183909
  H     19.42023716     13.29363076    -15.37235637
  H     18.25766498     15.25801280    -16.04843818
  O     17.87568453     11.39881467    -16.98426059
  H     20.53906672     12.26135253    -15.10210869
  H     19.34127372     16.96732101    -20.32994235
  O     19.14823985     14.94183458    -15.85503402
  H     18.06293586     14.85155168    -19.72078569
  H     19.73598537     16.16714685    -19.06624379
  O     18.98016473     16.49783780    -19.58169370
  H     17.02121185     13.89018095    -19.08693803
  H     16.31991432     15.60176815    -15.24801412
  O     16.51831114     15.79686698    -16.17302173
  H     20.27776666     15.29515914    -17.20437096
  H     16.25356589     15.02287538    -16.69027127
          69
 Energy    -248.92971495583163     
  O     -5.79068829      3.52358948     -1.77517379
  H     -5.64350856      3.17355521     -0.87960468
  H     -6.29564065     -0.56276181      0.24058550
  O     -1.39700405      2.91849633     -3.99373522
  H     -6.55012601      4.09864034     -1.72333420
  H      0.10683242      2.20834497      2.56121472
  O     -5.11285508      2.35184516      0.59996973
  H     -1.99409470      3.46013648     -3.44546048
  H     -0.90220698      1.11192453      2.17368483
  O     -3.29704405     -0.89968669      1.01743606
  H     -1.29624043      3.38005797     -4.82218019
  H     -0.75933640      2.79265309      0.77116664
  O      0.14909969     -0.66347488     -1.17358732
  H     -4.32397427      2.02981144      0.13540368
  H     -1.22373998      3.99625606     -0.10047080
  O     -2.97269501      0.68291626     -3.37812495
  H     -5.59017088      1.55608250      0.87571935
  H      2.07361259      0.30365532      2.60791626
  O     -3.87104770     -2.32597386     -1.29623712
  H     -2.43122500     -0.99857337      1.43165098
  H      2.36930402     -0.87674612      1.66462407
  O     -1.77668896     -1.81739041     -2.88266059
  H     -3.19967783     -0.13409788      0.43015101
  H      2.22829133      2.16103065      1.44027722
  O      0.53122614      1.93389024     -2.12747314
  H     -0.48293928     -1.12313194     -1.73869517
  H      2.63553650      2.82161247      2.77638465
  O     -0.61788460     -0.62964813      1.58449447
  H      0.26319373      0.22591696     -1.53896151
  H     -4.80547537      0.84130634     -3.26793688
  O      2.71218777     -1.07632250     -0.23215729
  H     -2.37806350      1.36473390     -3.71519028
  H     -5.82244975      1.83630174     -2.66824893
  O     -6.03981809     -0.18207736      1.08995858
  H     -2.49845947     -0.15743153     -3.34574303
  H     -2.50784154      3.15373026      2.37624234
  O     -0.83182854      2.05301930      2.38851542
  H     -4.78296143     -2.05504125     -1.45639964
  H     -3.93502065      3.26726678      1.76511930
  O     -0.79409137      3.13379443     -0.13370932
  H     -3.65260584     -1.98892721     -0.41594588
  H     -7.28189235     -1.58357772     -1.91743290
  O      1.98084725     -0.65317391      2.52011571
  H     -2.53998270     -2.05382689     -2.32199795
  H     -6.25911504     -0.43876231     -2.10211194
  O      1.98757609      2.24495633      2.37970078
  H     -1.63692052     -2.54818716     -3.47859080
  H     -2.18794950      1.94959564     -0.53582759
  O     -5.73482309      0.94332782     -3.02074746
  H      0.12293762      2.40844259     -1.38285692
  H     -2.96770241      1.10117743     -1.58371833
  O     -3.18885023      3.78021077      2.10420885
  H      0.04362447      2.23104104     -2.90255830
  H     -2.25548330      6.30254005      0.40118093
  O     -6.47431815     -1.22076199     -1.56346252
  H      0.22622199     -0.76569315      2.03643542
  H     -2.73746088      4.90252983      0.85209089
  O     -2.90146926      1.31007906     -0.64405717
  H     -0.42389986     -0.63096266      0.63784283
  H     -2.89317369      4.79385117     -1.63215218
  O     -2.39279310      5.41054597      0.09463581
  H      3.17124709     -1.78178644     -0.68050829
  H     -4.05219314      4.06173889     -2.32324290
  O     -3.13462360      4.33466816     -2.44563734
  H      1.81355080     -1.04563359     -0.60174123
  H      2.86211642      0.82561658     -0.25898050
  O      2.67120532      1.77209257     -0.23181746
  H     -5.15852375     -0.53609124      1.27243212
  H      2.08926107      1.93880056     -0.98293230
          69
 Energy    -248.92959052834797     
  O     -1.21119302      1.76848322     -1.29809229
  H     -0.49072015      1.12284116     -1.27897556
  H     -2.13366692      0.67485241      4.62159205
  O      4.06602189      2.22403845      1.77021689
  H     -0.90175400      2.51873570     -0.77754831
  H      1.38498730      0.54758433      4.56065276
  O      1.35447514      1.50285903      1.53132653
  H      4.33175285      1.30484722      1.63016632
  H      0.03935969      0.11975421      3.89920714
  O     -3.37327492      0.83345186      0.02092912
  H      4.19704181      2.68676443      0.93262625
  H      3.73718515     -0.94829648      1.47543214
  O     -2.47561516      2.57087354      2.05688620
  H      2.26672443      1.81263593      1.58818020
  H      5.26175644     -1.05224923      1.24889629
  O      0.90683797      0.01588284     -0.77923184
  H      1.18666453      0.99265714      2.33408588
  H      3.40810352      3.16365099      3.24261405
  O     -2.02409317     -1.19272114      1.51397333
  H     -2.63729642      1.14156955     -0.53896515
  H      2.65432192      2.97969368      4.57990913
  O      1.92838341      5.05007007     -0.07691842
  H     -4.15299746      0.82192700     -0.52717538
  H     -3.12391748      3.39015853      3.60387444
  O      4.06365158      3.33666774     -0.83034100
  H     -2.92048351      2.02736634      1.39393181
  H     -2.60907740      4.31758079      4.72824237
  O      0.13393317     -2.40595556      0.42755419
  H     -1.75418128      3.02652496      1.60357522
  H      0.30818231      4.56322861      2.35245119
  O     -1.05757936      5.26270801      5.22312319
  H      1.07630698      0.49912323      0.04473086
  H      1.44645615      4.55001355      3.40610829
  O     -1.72156775      0.47163037      3.77345943
  H      0.65613710     -0.87728649     -0.51490001
  H      2.48987431      1.51904170      6.63406586
  O      1.00089366      0.02469139      3.84540033
  H     -2.54305857     -0.59247452      0.96479855
  H      1.16237541      2.12613038      6.12080674
  O      4.51274081     -0.47610162      1.12250388
  H     -1.95923402     -0.76636531      2.37778544
  H     -3.59905093      1.34769113      6.68258786
  O      2.87926065      3.62921608      3.90279393
  H      2.66228011      4.49411527     -0.37413341
  H     -3.12835602      2.32006235      5.57167928
  O     -3.30296713      3.68224729      4.50799706
  H      2.24997232      5.53773159      0.68158975
  H     -1.17401554      2.33459169      6.49700675
  O      0.63380807      5.00872710      3.13955110
  H      3.85126152      2.42328590     -1.09555243
  H     -0.55266257      3.70053918      6.14770502
  O      1.99916757      1.71273677      5.83981212
  H      4.76192175      3.63226572     -1.40900391
  H      2.62908260      0.44521631     -1.32218993
  O     -2.86936649      1.54309373      6.10177302
  H     -0.65558555     -2.00936030      0.83864731
  H      3.95426300      0.23134689     -0.57483543
  O     -0.35084979      2.83587849      6.52743009
  H     -0.12183460     -3.27254385      0.12375056
  H      0.41802472      4.16721204      0.31918270
  O      3.55501382      0.72279722     -1.30356834
  H     -0.44865241      5.21670869      4.46426692
  H      0.29680188      2.80429878      1.04815004
  O     -0.21780213      3.56777047      0.73626730
  H     -1.01335794      6.15494005      5.55591301
  H      1.62594489     -2.05570386      1.55364509
  O      2.33397496     -1.73390825      2.12420616
  H     -1.90992300      1.22418172      3.19466538
  H      1.89957766     -1.22813431      2.82488975
          69
 Energy    -248.92946596289210     
  O      3.37807121     -4.77960044     -3.31435195
  H      3.95229464     -4.07378072     -2.96377910
  H      0.75287915      0.58588113      2.69213179
  O     -2.78440569     -2.70359403     -0.17383117
  H      3.73417919     -5.03111261     -4.16217648
  H      2.83715201     -7.71792055      0.16510782
  O      0.06624011     -6.23294021     -0.34665014
  H     -2.28064062     -3.23489304     -0.81504366
  H      1.77367801     -8.65794248      0.76154263
  O      2.78930283     -2.01082333      3.60504017
  H     -3.66104799     -2.61362491     -0.53552480
  H      3.30735300     -4.47092994      1.70961591
  O      2.22467671     -0.02799406     -0.04522997
  H      0.99341445     -6.22173298     -0.62386872
  H      4.36296757     -3.81884479      0.73417431
  O      0.01186220     -7.68679419      3.26449768
  H     -0.13043055     -7.14057911     -0.08338590
  H     -0.03717990     -5.43376458      1.30965918
  O      2.46286308     -4.82152099      3.27179743
  H      1.90157675     -1.64808925      3.70113359
  H     -0.48344527     -4.20988419      2.14614241
  O     -1.21151985     -4.19758459     -1.83184293
  H      2.69730091     -2.97123692      3.63522307
  H      3.86288943     -1.21264835      2.39963136
  O      2.79030476     -0.61844144     -2.63765471
  H      1.89992579     -0.93476999      0.06838447
  H      3.71661883     -0.42248697      1.07820546
  O      1.22561340     -3.02163525     -2.73113821
  H      1.79016084      0.51697458      0.62446136
  H     -1.58320614     -2.46909003      1.09859858
  O      1.41559504     -2.66442723      0.04996567
  H      0.94469006     -7.71672946      3.50958112
  H     -0.02695576     -2.52267546      1.08758494
  O      1.13696863      1.27720381      2.13278810
  H     -0.16796576     -6.76145892      3.04462127
  H     -0.44641910     -0.90227139      4.40848672
  O      2.68591330     -8.36152767      0.86968654
  H      1.55417326     -4.86689615      2.93744222
  H     -0.27767389     -1.43049680      2.96481231
  O      3.53664773     -4.31372901      0.78364262
  H      2.71575433     -5.73070498      3.47484369
  H      2.89608017     -7.87179621      2.54122135
  O     -0.09347914     -5.08966842      2.21258564
  H     -0.83836460     -4.95391182     -1.35895659
  H      3.48733726     -8.17482753      3.93768920
  O      4.36540041     -0.82524796      1.66646934
  H     -0.47496321     -3.77713805     -2.29112621
  H     -0.17571004     -8.48789174      1.71024851
  O     -0.80066043     -2.45599088      1.66853610
  H      2.60420195     -0.29443131     -1.73924338
  H     -0.73881299     -9.56012409      0.74600564
  O      0.13136786     -0.87310201      3.65031423
  H      2.82325853      0.14867376     -3.20338941
  H      5.32918882     -1.95462287      0.84675497
  O      2.89203921     -7.59191518      3.47433907
  H      1.65655162     -2.16345863     -2.83302205
  H      6.67376246     -2.69853357      0.64256469
  O     -0.15142874     -8.81105415      0.79150818
  H      1.87383088     -3.68497025     -3.00158984
  H      2.99611662     -5.88592688     -1.85344425
  O      5.76465274     -2.67830888      0.35801278
  H      1.25663352     -2.86943535     -0.88011403
  H      3.09759202     -5.58049176     -0.34192344
  O      2.77659410     -6.23500923     -0.98258030
  H      2.16306619     -3.20414665      0.33782064
  H      5.15109042     -2.64817088     -1.43098389
  O      4.75650700     -2.68550686     -2.31063060
  H      1.68192760      1.80547100      2.71319624
  H      4.19064866     -1.90871739     -2.39930977
          69
 Energy    -248.92935243688214     
  O     16.22916392      9.61184700    -15.35138083
  H     16.89693665      8.93318064    -15.17235035
  H     14.25449659     12.38393064    -12.96509216
  O     14.82485140      7.70849605     -8.88202731
  H     15.41849661      9.16594138    -15.62898121
  H     13.42648106     11.66796531    -10.81425176
  O     16.79899676     12.19549169    -15.98421759
  H     15.01839600      7.25368915     -8.06749415
  H     12.86213339     12.22620302     -9.48695981
  O     12.52881730      8.77622379    -10.17530929
  H     15.20468494      8.60359316     -8.80614307
  H     17.22860035      4.41952552    -13.93452454
  O     13.87365741      8.26141264    -15.87848071
  H     16.64877226     12.35380719    -16.91235763
  H     18.20824689      3.26655397    -13.66278043
  O     18.07452572      7.71983646    -14.65846772
  H     16.58076040     11.26202781    -15.81633351
  H     15.60820382      8.24543999    -11.86087932
  O     20.21381261      9.50523430    -14.35582912
  H     13.21356255      8.31065287     -9.67988976
  H     15.34828542      7.35712577    -10.60720868
  O     18.17959049      6.52998062    -12.13354073
  H     12.70371963      9.71523273    -10.03934005
  H     18.37799176     13.77329171    -11.40584914
  O     11.65312867      7.80223823    -12.54004532
  H     13.65875439      7.70950195    -16.62654612
  H     17.91185341     12.30434837    -11.53090413
  O     15.62601628     13.29379892    -13.62363593
  H     13.92246040      7.67326963    -15.10522209
  H     15.90983128      9.81586370    -13.54265469
  O     12.33414976     10.03659836    -14.19822731
  H     18.86249265      8.27837659    -14.69348588
  H     14.94380289     10.47604853    -12.52582311
  O     13.64908442     11.76908238    -12.52340851
  H     18.09534387      7.30571010    -13.78347428
  H     18.40591902     12.13027554    -15.00178005
  O     13.34677871     11.49432406     -9.85959499
  H     19.84736651     10.40730666    -14.36690926
  H     18.83977387     12.41986840    -13.55483798
  O     17.81206437      4.03465444    -13.25998641
  H     21.10515143      9.56776067    -14.68872630
  H     16.97540245     10.40698500    -11.51380054
  O     15.60699654      7.33154026    -11.53601164
  H     18.16826562      5.60241912    -12.40751582
  H     18.41008211     10.08365379    -11.02110715
  O     18.00121176     13.14345532    -12.01477327
  H     17.28331333      6.74720444    -11.83898747
  H     14.58688772      6.79525572    -12.90929609
  O     15.67929382      9.85613434    -12.60680872
  H     11.95979056      8.14055495    -11.67930463
  H     13.11124906      6.91360441    -13.31237544
  O     19.11806279     11.98119453    -14.36776668
  H     10.77007406      7.46963696    -12.40224760
  H     19.21544241      8.00779028    -11.65703629
  O     17.66309391     10.68660922    -10.89091521
  H     15.96380298     13.02067281    -14.48505008
  H     19.91815936      9.10601515    -12.47341951
  O     13.97966717      6.66030227    -13.65211266
  H     16.39629488     13.33490792    -13.04321239
  H     16.47103659     10.45204315     -9.47083832
  O     19.60667153      8.88977478    -11.58701240
  H     12.80215251      9.58116895    -14.90651197
  H     14.97979933     10.77810766     -9.18274684
  O     15.72972895     10.24711863     -8.88598584
  H     12.00363838      9.33232578    -13.62537367
  H     16.83993676      6.25992671    -15.08591416
  O     16.25402405      5.49343854    -15.03874613
  H     13.13016064     11.28380774    -13.18137987
  H     15.44314612      5.79023752    -14.60887417
          69
 Energy    -248.92901008833536     
  O     -1.78547925     10.73262647      8.21426291
  H     -2.48538169     11.36295093      8.42304233
  H     -0.86147750     11.21223346      6.79251974
  O     -5.97489937      9.13336611      3.81438971
  H     -2.19017080      9.86027078      8.13968267
  H     -3.53349795     14.09194527      7.35632215
  O     -1.11467800     14.09083735      5.18330182
  H     -5.72387083      9.19456793      4.75036474
  H     -4.08871019     14.05991620      5.91342313
  O     -4.86268691      9.40377451      6.33644204
  H     -6.82441558      8.69918297      3.78996733
  H      0.04791546     10.00009852      3.48224450
  O     -1.50620052      7.84429587      5.29928393
  H     -1.91432153     14.26662010      5.69590085
  H      1.39257647      9.39550772      3.95171077
  O     -5.13565054     10.91686065      1.60333835
  H     -0.77508475     13.23641089      5.48545412
  H     -5.71396429     10.89679529      7.08328247
  O     -4.51923863     13.57296976      2.23442042
  H     -4.33211385      8.81647150      6.88731469
  H     -5.82665083     12.28069886      6.42994759
  O     -2.79441941      8.08770070      7.66906224
  H     -4.21653148      9.97292119      5.88772695
  H     -1.56687195     14.29517762      2.05572757
  O     -3.26970916      8.49481827      3.24585851
  H     -2.14034042      7.91904948      4.57199382
  H     -1.53091847     13.65162383      3.45995259
  O     -2.92849819      9.64170972      0.71029851
  H     -0.73124615      8.33879232      5.00846037
  H     -1.80603552     16.99125155      4.56880010
  O     -0.84162699     10.81836364      2.23549429
  H     -5.04739586     11.86278137      1.78544510
  H     -0.79894962     15.83430948      4.58749671
  O     -0.56518553     11.53362771      5.92655375
  H     -5.52352662     10.50548011      2.38235157
  H     -1.19297823     16.40948686      2.49438217
  O     -3.54114231     14.57838343      6.52428775
  H     -4.60867791     14.53595104      2.21026638
  H     -0.93055544     16.62944305      0.98467651
  O      0.50000892      9.57487678      4.23436934
  H     -3.56845010     13.40933808      2.31756020
  H     -4.60609465     12.41898666      8.26625750
  O     -5.92186174     11.82100346      7.27562250
  H     -2.61979121      7.32213356      8.20930078
  H     -4.04295005     12.96580175      9.59920165
  O     -1.72131197     13.46775715      2.52871188
  H     -2.29181938      7.96697474      6.84202145
  H     -3.33809339     16.33633438      2.04102742
  O     -0.95829028     16.70850537      4.20360937
  H     -3.08577228      8.73791870      2.32992017
  H     -4.10467791     16.58228868      3.35057196
  O     -1.45828618     16.12809286      1.59988361
  H     -4.22565406      8.56310610      3.36318397
  H     -3.63545573     16.20809112      5.74492318
  O     -3.80185320     12.75547444      8.70027032
  H     -3.01796540      9.39555875     -0.20581718
  H     -4.08542038     17.68325379      5.70393295
  O     -4.21958945     16.30388122      2.43434906
  H     -3.73314476     10.13767085      0.94972358
  H     -2.22297765     11.13176555      5.19555176
  O     -3.63174635     17.01164898      5.20009117
  H     -1.09731482     11.74813250      2.30514005
  H     -2.96856520     10.22753763      4.16884901
  O     -3.09147172     10.91064803      4.83771528
  H     -1.46768683     10.41652712      1.62234414
  H     -4.99534367     13.24475053      3.96235232
  O     -4.95854073     12.91879833      4.86973911
  H     -0.06904560     10.83968878      5.47734406
  H     -4.29922998     12.20722127      4.85556868
          69
 Energy    -248.92884126629292     
  O     14.27134881      9.62078593    -10.63208441
  H     14.04037416     10.21024804    -11.36167610
  H     15.26897317      4.11603796    -15.80286924
  O     13.51044505     10.79605743    -16.50910016
  H     13.58243145      8.94313305    -10.54551705
  H     16.78921563      4.90635811    -11.03983431
  O     16.74384865     10.86025137    -13.32265555
  H     13.12313335     10.11491737    -15.94486855
  H     18.05550994      5.73303790    -11.33039970
  O     13.45907010      4.90029089    -12.95492377
  H     13.44391521     11.62036349    -16.01090190
  H     12.14569854      7.28616541    -11.35842504
  O     16.33515620      6.71763839     -8.52095242
  H     17.19451977     10.70777901    -12.47966903
  H     13.23747496      6.73577577    -10.42164442
  O     16.39188905     12.76277724    -15.35478928
  H     15.79242800     10.85277542    -13.15817275
  H     18.59829067      7.95532207    -14.89890358
  O     15.72006782      7.73495156    -12.18655866
  H     13.95245727      4.93169678    -12.12574758
  H     20.05847581      7.45084321    -14.92606415
  O     13.91657678     10.93878371    -13.00697181
  H     14.10365553      4.76600674    -13.65996123
  H     14.70476459     13.09999795    -15.00563216
  O     18.44503700      7.53695202    -11.79117607
  H     16.33741712      7.68458580     -8.56136115
  H     13.46114143     14.00451168    -14.81991888
  O     17.98197069     10.17480029    -10.95884569
  H     17.24873113      6.45957926     -8.40817834
  H     12.23368424      8.26618891    -14.06630633
  O     17.82104089      4.80128048    -14.12591486
  H     16.42276491     12.17338143    -16.11767745
  H     13.61292747      8.39427080    -14.74184714
  O     15.33835579      4.76094914    -15.10458342
  H     16.68000179     12.22709899    -14.60173429
  H     16.13087609     10.76314940    -18.29378859
  O     17.70069752      4.83287276    -11.34008717
  H     15.43068535      7.68750168    -13.10571551
  H     15.15844103     10.66561941    -17.09555324
  O     12.61573434      7.46385812    -10.53430018
  H     15.25240842      8.45360268    -11.74400125
  H     10.68096639      6.39127740    -13.19787115
  O     19.20598260      7.29544989    -14.52638582
  H     13.48426350     10.23216019    -13.50883596
  H     12.19582474      6.09323851    -13.10354511
  O     13.75130056     13.09690498    -14.80535987
  H     13.77164237     11.75645867    -13.49763366
  H     15.18992156      6.33312851    -11.24333427
  O     12.80771798      8.89085076    -14.52426365
  H     17.48764970      7.63052054    -11.92885781
  H     15.31020301      5.88451264     -9.77521632
  O     16.10013783     10.67786613    -17.34465558
  H     18.83666688      7.46870038    -12.67042641
  H     15.21600692      6.58360042    -15.08353525
  O     11.53336210      6.80802077    -13.09944262
  H     17.47901321     10.05289477    -10.14586791
  H     15.92467230      7.98857170    -15.17784412
  O     14.92157810      5.63225456    -10.62576577
  H     18.33530731      9.30048976    -11.17353902
  H     16.02907762     10.13346142     -8.03140404
  O     15.12204851      7.52745120    -14.90243879
  H     18.35351895      5.58182522    -14.31467371
  H     15.48481870      9.63248715     -9.38961824
  O     16.22362898      9.54925971     -8.76036137
  H     17.82553394      4.68942515    -13.16403570
  H     17.02319099      9.61243208    -16.15479803
  O     17.34214673      9.13139397    -15.38046155
  H     16.25029387      4.71168227    -14.76262483
  H     17.19163765      9.70861939    -14.61490109
          69
 Energy    -248.92874798411634     
  O     10.40532788      6.52957580    -11.29846280
  H     10.55090805      5.86135654    -11.97794272
  H     16.60801311      6.26160166     -9.62379199
  O     13.58686338      4.83654217     -8.29898770
  H     10.64951496      7.36622934    -11.71540071
  H     15.79067322      5.65222736    -14.52087793
  O     16.58878531      8.60705376    -13.79422131
  H     12.93666449      5.53204645     -8.45233649
  H     15.62706238      7.17541742    -14.27726894
  O     17.26793951      4.54687227    -14.20759499
  H     14.44266860      5.16847928     -8.60254123
  H     13.84365676      5.01111482    -11.84534886
  O     17.61142426      7.80960115    -10.11249041
  H     16.28095104      8.91498115    -12.93035254
  H     14.66371591      6.01787108    -12.69105994
  O     11.99361650     11.22278250    -13.57134817
  H     16.38421813      9.30127870    -14.43286015
  H     15.90162813     11.04250285    -16.28656022
  O     11.61867415      6.81898805     -8.87231762
  H     17.66491739      5.19842143    -13.60267447
  H     14.74469611     10.23578657    -15.64817539
  O     12.46913707      7.05742074    -14.62836269
  H     17.96968931      4.23907325    -14.77542673
  H     12.91875841      7.80970127     -9.79864056
  O     15.49316456      2.70133480    -12.93247219
  H     18.24953219      8.28309567     -9.58382222
  H     13.77524728      7.28101750    -10.97294749
  O     14.77117463     11.51047943    -12.88638630
  H     17.00211235      8.47611864    -10.46982421
  H     17.81107729      7.34137624    -13.17200967
  O     16.04014369      2.72035597    -10.20797902
  H     11.79826792     10.37595399    -13.13318043
  H     18.12898527      6.85083427    -11.75837912
  O     15.99900225      5.51585755     -9.61385054
  H     11.21322895     11.76413952    -13.48724282
  H     15.44276159     10.31294203    -11.71599500
  O     15.13493723      6.35400927    -14.42501968
  H     10.96705534      7.09191314     -8.23165988
  H     14.94414802      9.07254064    -10.92284969
  O     14.33158526      5.84294835    -11.80231017
  H     11.13814262      6.63056770     -9.69798481
  H     12.63344789     10.23926779    -15.08828183
  O     15.63482077     10.59753317    -15.48712343
  H     11.95579572      6.28589491    -14.35897439
  H     12.81331540      8.76003954    -15.49896552
  O     13.49706362      8.09225311    -10.51622298
  H     13.39556501      6.77430062    -14.64467152
  H     13.29658262      3.29459076     -9.01861775
  O     18.20294872      6.60226710    -12.68559968
  H     16.12445387      3.26713304    -13.38919320
  H     12.85697533      1.81237097     -8.93223924
  O     15.73812739      9.50716728    -11.26633602
  H     15.80722369      2.63199169    -12.01746498
  H     11.99007456      8.16702277    -13.26821893
  O     13.09617628      9.65861689    -15.70631508
  H     15.15431636     11.36432406    -13.75978928
  H     12.35307036      8.60475312    -11.81906432
  O     13.21211747      2.46724680     -9.52665063
  H     13.81705343     11.52098972    -13.03088014
  H     11.76384892      4.25322227    -13.05498324
  O     11.71217925      8.73339516    -12.53294656
  H     15.15435484      2.49946675     -9.89680038
  H     10.50744066      4.21801987    -13.95325744
  O     11.10153770      4.81074825    -13.49917070
  H     16.19834531      3.62732415     -9.91604890
  H     13.83448802      3.09342163    -12.55204816
  O     13.00448608      3.40664763    -12.15486294
  H     15.48557297      5.58792387    -10.43299423
  H     12.95250178      3.02559785    -11.26910732
          69
 Energy    -248.92826454291270     
  O     -6.33393310      2.90976879      0.20509764
  H     -5.41612328      3.18894788      0.06527899
  H     -4.50077767     -1.29947366      2.34809547
  O     -5.45459462      2.68700945     -3.94590739
  H     -6.82802774      3.14000872     -0.59063929
  H     -0.17476619      2.93958053      1.96280547
  O     -6.35761763      2.09652995      2.89586250
  H     -4.55083180      2.68220854     -3.60999326
  H     -1.04924487      2.57785667      3.17491304
  O     -3.25781495     -2.63457429      1.83800145
  H     -5.63870561      1.78266449     -4.23053223
  H     -3.39048855      4.03968052      0.53511085
  O     -2.56810448     -1.48844541     -0.51815532
  H     -6.47723718      2.44185227      1.99984909
  H     -3.29069801      2.55447166      0.12519351
  O     -6.14820386     -0.07886775     -4.28954039
  H     -6.14249353      1.16222752      2.80374832
  H      0.29057352     -0.82316295      1.86638426
  O     -5.96131254      0.18692111     -0.06692302
  H     -3.02561575     -2.30321391      0.95182146
  H      1.81906675     -0.94406513      1.66891943
  O     -4.27753486     -0.18750561     -2.20469246
  H     -3.37328708     -3.57791699      1.75993734
  H      0.22354718      1.95425632     -0.52912189
  O     -2.94711611      2.25793795     -2.56286548
  H     -1.66522713     -1.45481170     -0.86772675
  H      0.65534769      1.09630715      0.70442813
  O     -1.08031539     -1.10492266      2.92508559
  H     -3.16217496     -1.16680632     -1.21000773
  H     -7.36761594      0.15727316     -1.40179161
  O     -0.02389255     -1.04981651     -1.37243248
  H     -6.83703331      0.01648493     -3.60658995
  H     -7.91854328      1.35037972     -2.20712553
  O     -4.92505180     -0.44307848      2.48797903
  H     -6.51436321     -0.62350106     -4.98044686
  H     -2.64081586      1.25948970      2.40783137
  O     -0.58311961      3.30810880      2.75807774
  H     -5.62569047     -0.12150200      0.78296347
  H     -3.19303552      1.95594891      3.69917955
  O     -3.65778815      3.40869466     -0.14976363
  H     -6.10023659      1.14134917      0.02486107
  H     -1.48268482      1.39570913      0.56147713
  O      1.02142909     -0.62594726      1.25416069
  H     -4.82406407     -0.28328770     -2.99317539
  H     -2.46758670      0.21680081      0.29255923
  O      0.25227030      1.93405756      0.43587466
  H     -4.88065775     -0.05001727     -1.45672103
  H     -1.99630591      4.42820511      2.28366661
  O     -7.83856725      0.38760352     -2.21289420
  H     -3.18595863      2.80857364     -1.80195082
  H     -3.44327465      4.45601780      2.78519627
  O     -2.69404422      1.19388613      3.37595625
  H     -3.36524532      1.39410766     -2.42868076
  H     -8.10189709      3.93116675     -2.66754790
  O     -2.40223862      1.10880388      0.65101887
  H     -1.55650815     -0.33790623      3.26777969
  H     -6.79642842      3.13250472     -2.89777000
  O     -2.87605460      4.77260855      2.07260474
  H     -1.76171025     -1.73051592      2.65123554
  H     -4.56742334      3.70686632      4.98513345
  O     -7.55524434      3.24305682     -2.29765430
  H     -0.03171655     -0.17164412     -1.77235973
  H     -5.11130247      2.97114207      3.73642151
  O     -4.31180684      3.35788531      4.13537944
  H      0.44588310     -0.96902868     -0.53205366
  H     -1.17772451      1.90771517     -2.45478262
  O     -0.24089164      1.68240501     -2.33304964
  H     -4.24113321      0.10634755      2.89070750
  H      0.22165837      2.03726961     -3.08873750
          69
 Energy    -248.92815767372616     
  O     15.45297636     10.43146523    -17.28864672
  H     14.68142521     10.33934397    -16.71686465
  H     19.80737359      6.52977367    -16.13391229
  O     13.97331198      4.86644822    -15.78853025
  H     16.15822424     10.77961651    -16.73028745
  H     18.01045445      7.60352524    -16.65452659
  O     18.18366973      7.89146748    -12.08970975
  H     13.83296904      5.70553802    -16.25071741
  H     18.43743000      7.06654824    -18.01339556
  O     17.18640840      6.07024073    -18.95212263
  H     14.00945649      5.10562240    -14.85417342
  H     15.70436229      7.35736069    -15.96132682
  O     13.93177285      8.84741492    -10.41058863
  H     19.05974503      7.93674880    -12.49104255
  H     16.57906897      8.07977014    -14.89127207
  O     14.26282641      5.99048180    -13.18935619
  H     17.61950666      8.49219159    -12.60062431
  H     13.34494696      9.47290229    -14.71892261
  O     16.52586606      9.41402453    -13.63399094
  H     16.78532984      5.37786426    -18.41311260
  H     12.30843471     10.20032659    -15.60414608
  O     17.56138617      4.83757446    -15.01592407
  H     16.53559456      6.77899938    -19.02745061
  H     16.33540311      5.08906225    -10.77464765
  O     13.34023707      5.99183140    -10.58741894
  H     14.84754086      8.58483938    -10.20566169
  H     16.32580088      4.33768504     -9.42354981
  O     19.52966349      9.74309610    -15.68601029
  H     13.64802584      9.42306932     -9.70555006
  H     14.38498380      7.65712052    -17.72515377
  O     16.08052374      3.94942544    -17.23954071
  H     15.19333212      5.81642051    -12.99812899
  H     13.60333717      8.18884429    -16.49371396
  O     20.08542464      6.04134720    -15.34659236
  H     13.79152438      5.87904843    -12.35061296
  H     21.47522295      8.04409376    -13.33365270
  O     18.75746760      7.59702712    -17.27237240
  H     15.57739405      9.34587257    -13.46657923
  H     20.44012884      7.26740336    -14.18088684
  O     16.57359517      7.36969093    -15.54410442
  H     16.70937535     10.19011336    -14.17782922
  H     17.41472293      6.25410751    -12.31277050
  O     13.17298191      9.79681139    -15.61900411
  H     17.18822072      4.32698132    -15.74301969
  H     17.20927442      5.03216086    -13.25764964
  O     15.97227426      5.10137129     -9.87195362
  H     17.23138403      5.74038699    -15.15604632
  H     17.13506663      7.99743426    -10.52707275
  O     14.01706748      7.40233970    -16.86825498
  H     13.39734773      6.94098389    -10.42541242
  H     16.32347442      6.97706750     -9.70603689
  O     20.55541692      8.03028257    -13.58492636
  H     14.14789230      5.61405250    -10.21454417
  H     13.98066400      7.78122585    -13.30687603
  O     16.93538802      5.41911777    -12.41515520
  H     19.38018066      9.08036388    -16.37568969
  H     13.78753062      8.88896624    -12.24218787
  O     16.42512458      7.92205433     -9.87629124
  H     19.91295690      9.26997342    -14.93894431
  H     18.20450564     10.82140677    -15.54738865
  O     13.86515215      8.73710994    -13.19319214
  H     15.87658687      3.10381048    -17.63063768
  H     17.67686541     12.26610904    -15.36615632
  O     17.39722084     11.35744257    -15.43433804
  H     15.29589016      4.21443814    -16.72644564
  H     15.52803391      9.13469634    -18.49179722
  O     15.40065017      8.36336863    -19.07262963
  H     19.35117450      5.44226147    -15.16234285
  H     15.21096930      8.70676337    -19.94214580
          69
 Energy    -248.92810818668335     
  O     -3.56558751      1.00259823      1.12265050
  H     -3.85738013      0.21626552      0.62519576
  H     -0.37216712     -4.73391436     -1.02340320
  O     -2.95728966     -0.95507724      6.03452486
  H     -4.18421848      1.69963811      0.92312150
  H     -1.34149968     -5.45124278      0.93056847
  O      0.15710608      0.34644600      3.80144208
  H     -2.02568582     -1.21420188      6.03864541
  H      0.16177205     -5.79639080      0.98837528
  O     -3.15284213     -0.75158988      3.24766132
  H     -3.12571631     -0.72427918      5.10924508
  H      1.90436764     -0.54802965      3.71689213
  O      2.10390531     -2.93980373      5.80462027
  H     -0.13836385     -0.45966174      4.25475934
  H      2.27135194     -1.84445160      2.98403946
  O     -4.15461873     -3.40443548      6.12299806
  H     -0.01159902      1.06584016      4.40703816
  H     -0.27493539     -2.40640061      1.87294617
  O     -0.46440784     -1.93299999      5.29459336
  H     -3.37608401     -0.04350365      2.63181389
  H     -1.37523827     -1.99485052      0.85913778
  O      0.77584952     -5.24638143      4.74127524
  H     -2.43853253     -1.25263528      2.82952652
  H     -2.09341069     -3.73510698      1.90520246
  O     -5.22041556     -2.60686702      3.58503872
  H      2.76893827     -2.85771873      6.48223571
  H     -3.47195013     -4.39545289      1.65906653
  O     -0.69029419      1.06392992      1.14033638
  H      2.37028516     -2.35268865      5.07356423
  H      1.69129391     -2.70296807      0.83369783
  O      1.58217445     -5.68740041      2.20790197
  H     -4.56117244     -3.60881771      6.96057908
  H      1.57928254     -3.85212808      1.88579084
  O     -0.26564881     -4.13846681     -1.78731078
  H     -3.79135438     -2.50362300      6.19834267
  H     -5.26503377     -3.32757750      2.02643775
  O     -0.58512279     -5.70327716      0.38429759
  H      0.39445171     -2.24590934      5.60235541
  H     -5.93199765     -4.14964013      0.89549922
  O      2.53958119     -1.27275133      3.72005535
  H     -0.94604034     -2.71057689      4.97971148
  H      1.17438993     -2.97101423     -1.29928804
  O     -1.21594771     -2.20093244      1.78978346
  H     -0.16183362     -5.02285881      4.81218365
  H      1.39788815     -1.46532947     -1.03070562
  O     -2.58328050     -4.56892473      1.99077623
  H      1.26579388     -4.52621480      5.15693988
  H      0.03784296      0.49908669     -0.31960673
  O      1.48928945     -2.90023540      1.76086649
  H     -5.01666363     -2.98875175      4.44550253
  H      0.55727718      0.85247553     -1.73283438
  O     -5.13163315     -3.68760744      1.12979300
  H     -4.55959026     -1.91239821      3.44847351
  H     -1.02317204     -1.13255604     -1.17306112
  O      1.78411913     -2.34009457     -0.89559988
  H     -1.65420773      1.10710437      1.14778713
  H     -1.25339731     -2.66169290     -1.32617636
  O      0.33831417      0.11875344     -1.16513640
  H     -0.41515551      0.76496043      2.01556266
  H     -2.18321310     -4.48250985      3.78079978
  O     -1.64820903     -1.84636143     -0.99030861
  H      2.34190785     -6.26338740      2.20951281
  H     -2.66641499     -4.12810011      5.21354314
  O     -1.88005025     -4.29161731      4.67912577
  H      1.28964395     -5.60445122      3.13328147
  H     -4.57498929     -2.08476355      0.22252837
  O     -4.22461550     -1.27751420     -0.17019381
  H     -0.30649696     -4.68390895     -2.56783599
  H     -3.38186252     -1.51825767     -0.58225718
          69
 Energy    -248.92803073997231     
  O     14.73225266      4.64757626    -10.22756728
  H     13.83929546      4.51456253    -10.56795712
  H     13.34543115      8.90899955    -13.69663032
  O     14.41857070      9.16455732    -16.52196186
  H     15.34359034      4.45281914    -10.94958059
  H     17.27956204      9.34776338    -12.95232823
  O     18.07052727      8.89055119    -14.53947365
  H     13.94075773      9.24786765    -17.34349909
  H     16.73336903     10.23879012    -11.76778943
  O     16.18326697     11.82442105    -11.22719430
  H     13.75693593      9.18296634    -15.80975633
  H     13.99459759      8.20492966    -11.57172540
  O     10.59646764      7.58910302    -13.53008854
  H     17.46085200      8.25524167    -14.94682916
  H     15.24489910      8.66297476    -12.36957601
  O     11.97355281      5.05793969    -13.83319797
  H     18.74431852      8.36816369    -14.08907999
  H     12.03872430      4.50979161    -12.17172618
  O     17.62491085      7.00611803    -10.91437224
  H     15.92522781     12.27189025    -12.04406974
  H     11.56749287      3.56021286    -11.04610955
  O     13.58817288     11.15957933    -10.15845496
  H     15.36414323     11.65481610    -10.74568977
  H     20.47711254      7.02074428    -12.60201682
  O     18.14727741      5.18480629    -14.58650814
  H     10.80771270      7.46283166    -12.58683264
  H     19.00382464      7.00138978    -12.14591623
  O     15.29098156     12.81785396    -13.74077152
  H      9.64764361      7.66507896    -13.58809077
  H     15.26623377      5.35500100    -13.30297189
  O     12.94149820     11.56065806    -12.76725350
  H     11.47599572      5.88157534    -13.89203289
  H     14.48744553      6.68963006    -13.29784836
  O     12.71243693      9.20937841    -14.36934893
  H     12.90420284      5.29216100    -13.96635751
  H     17.07438007     10.37456685    -15.18411674
  O     16.86006741      9.33315007    -12.08299679
  H     17.09315824      6.90925313    -10.11632264
  H     15.68896906     10.40354633    -15.85998760
  O     14.38014465      8.23956374    -12.45530160
  H     17.36545907      7.86360452    -11.28928953
  H     15.66225293      7.75776681    -16.12210511
  O     12.08963836      4.34048522    -11.21425568
  H     13.29058289     11.27633687    -11.07933268
  H     15.65954520      6.63525875    -15.07241663
  O     19.57992749      7.06892152    -12.92404276
  H     13.09106379     11.78096627     -9.63191981
  H     11.95227467      7.54155901    -10.45456949
  O     14.62507204      5.87482327    -13.80461113
  H     17.60781018      5.74593702    -15.15580681
  H     11.51523007      6.13354539    -10.91263217
  O     16.33577614     10.95560135    -15.40333055
  H     18.75695279      5.77994775    -14.13239986
  H     16.98516754      5.48314370    -11.81077958
  O     16.23886277      7.13004659    -15.67107441
  H     15.68922330     12.16992403    -14.34880651
  H     17.19182314      4.65944386    -13.09834862
  O     11.27439178      7.06755794    -10.95312074
  H     15.43047291     13.67759560    -14.12868443
  H     15.79223154      6.54331636     -7.95517024
  O     16.65317807      4.71473778    -12.29594692
  H     12.74294106     10.83748334    -13.37354962
  H     15.27417387      5.98820703     -9.30445354
  O     15.64259666      6.77939532     -8.86712708
  H     13.68051108     12.04478457    -13.15879402
  H     13.58888736      9.33236613     -9.80978428
  O     13.48695922      8.37106026     -9.82999251
  H     11.90332267      8.70871550    -14.20557002
  H     14.24941367      7.96021664     -9.40408102
          69
 Energy    -248.92775993772352     
  O     -6.95434461     -2.40672825      6.45268075
  H     -7.73079455     -1.83400627      6.44653740
  H     -2.93546554      1.21934605      2.28575787
  O     -5.71478917     -2.41555544      3.98137385
  H     -6.25070297     -1.89129768      6.86719330
  H     -7.27599640      0.41385262      3.25446618
  O     -5.40354811     -0.30417726      0.94186324
  H     -6.24356293     -2.63607348      4.76330588
  H     -6.49333236     -0.72992737      3.98943297
  O     -6.00803975      1.49948031      6.25130253
  H     -6.15262210     -2.72637296      3.18090026
  H     -4.14906179     -0.94829691      8.06399339
  O     -5.62077941      4.40141827      0.44447840
  H     -6.17214639      0.26221555      1.12225874
  H     -4.21469309     -0.84723131      6.52141933
  O    -10.08284562      0.66725161      0.59394579
  H     -5.73173030     -1.20617815      1.01130658
  H     -1.10460760      2.61642040      1.02887449
  O     -8.99155839     -0.43969866      5.93971529
  H     -5.53822292      0.82910179      6.76322420
  H     -2.41579358      3.23077004      1.57938013
  O     -3.51847878     -1.07194029      4.95986500
  H     -6.32148438      1.04823483      5.44955590
  H     -8.63577391      3.31495993      3.78261516
  O     -4.42679130      2.06714187     -0.33819127
  H     -5.26358251      3.55603432      0.11892933
  H     -9.12682785      2.77551708      5.14895901
  O    -10.88285871     -1.33995078      4.19382662
  H     -5.78856009      4.94118869     -0.32342444
  H    -11.17975757      0.42662453      3.45583805
  O     -6.85581870     -2.77647777      1.44965903
  H    -10.62159762      0.93814288     -0.14307423
  H    -10.59821168      1.87021607      3.43831175
  O     -3.58996529      0.74994637      2.81747778
  H    -10.55461464      0.93163367      1.40676317
  H     -9.63184330     -1.05602914      1.27867725
  O     -7.00838464      0.07698207      4.11757091
  H     -9.04120457      0.39169200      6.42430537
  H     -9.87453548     -1.75627555      2.62499632
  O     -4.73088597     -0.73020960      7.34117071
  H     -8.33947546     -0.28665668      5.23562521
  H     -7.62363937      2.04090567      6.78241947
  O     -2.02745928      2.43214125      1.17855049
  H     -4.16991847     -1.68001325      4.57911701
  H     -8.65347571      2.75629278      7.68839940
  O     -9.39821982      2.93943308      4.23929814
  H     -3.38227342     -0.39902484      4.28165472
  H     -3.82070754      4.09547202      3.07385269
  O    -11.17190895      1.25223808      2.95902887
  H     -4.74213381      1.19276242     -0.07923220
  H     -4.13638967      4.64084890      1.66960038
  O     -9.36824579     -1.81968986      1.80643386
  H     -3.53609639      2.14295068      0.02755510
  H     -4.39814791      2.11987232      3.71622791
  O     -8.57331521      2.19945131      6.91835439
  H    -10.26275747     -1.06702910      4.89051009
  H     -5.07884425      2.57370955      5.02958791
  O     -3.41296875      4.49098252      2.29095239
  H    -11.54159029     -1.88850531      4.61228438
  H     -7.46693414      2.09627398      1.95626851
  O     -4.77623037      2.88834899      4.16976385
  H     -7.76452323     -2.44737929      1.57033012
  H     -8.42356034      1.08908601      1.22225773
  O     -7.55464715      1.19183037      1.62806483
  H     -6.91819642     -3.54763980      0.89208977
  H     -6.67971858      4.06125016      1.94966618
  O     -7.05188269      3.66716609      2.74940623
  H     -4.19501194      0.31593989      2.19990520
  H     -6.29461807      3.42399019      3.30201766
          69
 Energy    -248.92768685214432     
  O     11.78725327      9.52958695    -14.06787059
  H     12.17277382     10.36449133    -13.77619511
  H     19.85174092      9.01302569    -13.95620688
  O     16.85227150      6.25621345    -13.60057676
  H     12.45079248      9.10690022    -14.62637401
  H     14.96264578     11.35736021    -15.87486457
  O     16.72053990      9.30637180    -10.06325473
  H     17.73006273      6.13398534    -13.22057455
  H     15.96034820     11.75440792    -14.76128706
  O     17.52925194     11.06172365    -14.04789406
  H     16.19377180      5.99543985    -12.94109038
  H     16.33958537      7.97987327    -13.67063149
  O     14.93772307      7.56439019     -8.58137774
  H     15.93060414      9.58905398    -10.54495605
  H     16.49570580      9.52345281    -13.93160421
  O     14.79782566      5.70767447    -11.78482740
  H     17.44423346      9.81918461    -10.44439474
  H     11.16741593      8.28109172    -13.01761316
  O     14.52140415      9.95220229    -11.66185154
  H     18.23274131     10.73889711    -14.62705404
  H      9.99957235      7.45545698    -12.42396051
  O     17.34646293      8.81396142    -17.05528565
  H     17.88443165     11.07606758    -13.15032412
  H     17.57265567      7.63775472    -10.15248226
  O     15.90882887      5.11957995     -9.23547976
  H     15.57736547      8.22804261     -8.86746281
  H     17.38482453      6.13968142     -9.82453689
  O     19.42374074      9.75315640    -15.65308911
  H     14.18955475      7.64044756     -9.19095066
  H     13.53680356      5.68866135    -13.27068862
  O     16.19038594      6.40667410    -16.31982803
  H     15.17136438      5.30799471    -10.99057847
  H     12.15147557      6.34751166    -13.42346894
  O     19.97197593      8.83681537    -13.01492895
  H     14.25331026      6.44200954    -11.46554751
  H     19.23320231      9.99951755    -11.97829675
  O     15.07431692     11.92942985    -15.10628366
  H     14.98106581      9.51549375    -12.39710127
  H     19.39444099     11.25947981    -11.09336858
  O     15.86533120      8.81968194    -13.73794022
  H     14.03929519     10.69313803    -12.04519639
  H     18.94702512      6.36173473    -11.54056515
  O     10.95023030      7.51508778    -12.45578210
  H     17.05308362      7.91074481    -16.86493797
  H     19.98799381      5.43370955    -12.22277162
  O     18.01083211      6.77757118    -10.18696460
  H     16.54139702      9.32086589    -17.20167959
  H     14.56809344      8.35322570    -14.84999680
  O     12.89336671      5.98694196    -13.92520274
  H     15.53280209      5.95150711     -8.89268482
  H     13.46145140      7.27065581    -15.00449296
  O     18.74277447     10.69206850    -11.49749052
  H     15.82914553      4.47391265     -8.53915532
  H     13.55582460      8.57501279    -11.06107667
  O     19.38004599      6.14840534    -12.38933150
  H     20.09600050     10.04961849    -16.26050822
  H     12.32024502      7.64593898    -11.20251967
  O     13.85012903      8.05049151    -15.43014515
  H     18.70677610      9.37377356    -16.19404040
  H     13.83761365     11.94725757    -13.90207001
  O     13.16315242      7.74726377    -10.74534455
  H     16.48143247      6.20334451    -15.41928846
  H     12.82410290     12.74935826    -13.05050531
  O     13.16185535     11.87135912    -13.20385266
  H     15.28859517      6.72601918    -16.22100170
  H     14.31892941      9.27622129    -16.66750252
  O     14.70917029      9.99698249    -17.18891083
  H     19.83638734      7.89139996    -12.87827610
  H     14.19292993     10.06421886    -17.98899055
          69
 Energy    -248.92751535863226     
  O      0.84554642      0.17907345      3.17764628
  H      1.38140231      0.03798897      2.38350695
  H     -3.41280043      0.18517583      4.80570903
  O     -2.51077442      0.12479467     -3.42004541
  H     -0.07206325      0.23370211      2.86767166
  H     -1.94964869      1.36618454      5.65914459
  O     -0.64907562     -1.55023989      4.92550706
  H     -2.48657977      0.51191095     -4.29152610
  H     -2.30779359      0.77919689      7.04838254
  O     -4.27104846     -0.15918686     -1.20937376
  H     -1.75269932      0.48723476     -2.93145537
  H      0.48841551      3.47783385      2.41655418
  O     -1.73496342     -2.52570187     -2.55097528
  H      0.01660551     -1.07621139      4.41144723
  H     -0.88930951      3.75551185      1.77934019
  O      0.36529081     -1.60906696     -0.96286368
  H     -1.12999245     -0.87647237      5.42119759
  H     -3.21004927      1.06850720     -0.35769363
  O     -2.76538362      3.29436820      2.16032746
  H     -3.85341795     -0.03276977     -2.06938725
  H     -1.73733752      1.46625097     -0.59515749
  O     -4.40233530     -2.25876904      2.51440464
  H     -3.93982691     -1.00436416     -0.86631145
  H     -2.42780969      0.05424426      2.79335953
  O      1.17791895      2.74523707      4.00529111
  H     -2.38899244     -2.72525767     -1.87087129
  H     -1.96291546      0.61698180      1.41809631
  O     -0.44075072      0.92523364     -1.76663520
  H     -2.05548136     -1.73032905     -2.99309219
  H     -2.43416784     -2.52456375      0.24682889
  O     -5.30963669      2.16296244      2.81747111
  H     -0.19640301     -2.02396372     -1.63300228
  H     -3.88385320     -2.51881626      0.69691459
  O     -3.86898975      0.03436184      3.96856173
  H      0.04389247     -1.95889432     -0.11852214
  H      1.66674362     -0.59451395      0.07737003
  O     -2.19815110      0.54886062      6.13013127
  H     -2.65480794      2.79573705      1.33636800
  H      1.92267667      0.90710782      0.29929637
  O      0.05391884      3.71592501      1.58726119
  H     -3.67152693      3.10312302      2.43096843
  H     -1.97372066      2.91801794      3.84174776
  O     -2.48641952      1.59988302     -0.00063286
  H     -3.72737271     -2.85532041      2.86140663
  H     -0.60530244      2.83086070      4.55443909
  O     -1.69755168      0.06525492      2.16350893
  H     -4.30958875     -1.46904028      3.06857585
  H      2.01894823      3.23266884     -0.80531013
  O     -3.33744598     -2.51616927     -0.09967369
  H      1.13825848      1.80384076      3.75913920
  H      0.88476478      3.02609062      0.22484895
  O      2.04925387      0.03779158      0.69784066
  H      2.00604819      2.88081727      4.45699256
  H     -1.56239359     -2.85048635      4.15130312
  O     -1.55497439      2.72204290      4.68922258
  H      0.22007067      1.56257357     -1.46718363
  H     -1.91468101     -4.35406324      4.12807631
  O      1.37627700      2.59837831     -0.49866120
  H     -0.14380045      0.05089476     -1.47156871
  H     -1.17535969     -3.01092682      2.04345671
  O     -2.04132506     -3.53685721      3.65296208
  H     -6.13919525      2.56519313      3.06194693
  H     -1.18091834     -1.53653530      1.60839566
  O     -0.93451909     -2.42842312      1.31478146
  H     -5.51968081      1.46143039      2.17446602
  H     -5.50812806     -0.80544627      1.56052096
  O     -5.75511304      0.03820225      1.16682499
  H     -4.36457973      0.83126444      3.74210602
  H     -5.41040079      0.02237069      0.26402950
          69
 Ord_Energy   -248.927292    
 O   -9.47903442       2.78095269       3.17764974    
 H   -8.57050705       2.76446652       2.83827686    
 H   -9.44486427       3.33268023       3.96709013    
 O   -3.99992347     -0.797298372      -1.04745770    
 H   -3.87592459      -1.23503685      -1.88605785    
 H   -4.95296335     -0.819549322     -0.858943582    
 O   -8.27275276      -2.36481404       1.03449774    
 H   -9.10399246      -2.00055385       1.36226189    
 H   -7.84413481      -2.80349970       1.77851164    
 O   -8.22697067       1.42692471      -1.28258610    
 H   -8.67713070       1.59308004      -2.10670471    
 H   -8.90302849       1.45974052     -0.582155168    
 O   -6.84023666       2.69552374       2.40303493    
 H   -6.65926981       3.06703949       1.52635884    
 H   -6.55513000       1.77365279       2.36523271    
 O   -5.91339731      0.109302238       2.21723843    
 H   -5.38630629     -0.612350047       2.58937860    
 H   -6.15543509     -0.127840593       1.31073534    
 O   -8.91684341       3.99394083       5.72482157    
 H   -9.31199551       4.70264578       6.22546864    
 H   -9.15779400       3.16350269       6.17306280    
 O   -9.43549538       1.52595007       6.74645185    
 H   -8.54691315       1.15159953       6.81653786    
 H   -9.87859440       1.02215171       6.05329704    
 O   -3.85559058       2.04183817     -0.468866229    
 H   -3.82202530       1.13026798     -0.779797435    
 H   -3.51743460       2.01661682      0.435742587    
 O   -10.1810017      0.289608479       4.23638248    
 H   -10.0029688       1.17074811       3.87453270    
 H   -9.32591724     -0.168051764       4.26670742    
 O   -3.57747483       2.51483655       4.90893650    
 H   -4.48705816       2.83578253       5.01816416    
 H   -3.01815510       3.10594106       5.40764618    
 O   -6.82896185      -3.38837051       3.33630514    
 H   -5.93684101      -2.99756932       3.33239055    
 H   -6.73633909      -4.28127384       3.65767241    
 O   -6.27618456       3.16540241       5.03605843    
 H   -6.40988779       3.07724309       4.07900715    
 H   -7.07336426       3.59292483       5.37031603    
 O   -6.64744139     -0.667162538     -0.329896539    
 H   -7.24714422      -1.33072388       4.58143502E-02
 H   -7.17968082       3.47258002E-02 -0.726657331    
 O   -7.69889784     -0.871473908       4.15903759    
 H   -7.20537233     -0.443285972       3.44699669    
 H   -7.53348064      -1.81643426       4.05421495    
 O   -10.7162333      -1.11203790       1.92687249    
 H   -11.5885792      -1.49718809       1.88404059    
 H   -10.6459465     -0.677221537       2.79258871    
 O   -4.18219137     -0.265013576       5.47886944    
 H   -5.00048876      -7.96765164E-02   5.95591211    
 H   -3.80027246      0.601758897       5.30051327    
 O   -3.36305046       1.49920619       2.26572752    
 H   -4.24772453       1.11489749       2.21226406    
 H   -3.31846881       1.93294895       3.12534595    
 O   -4.49172354      -1.98639417       3.36472154    
 H   -3.77061224      -1.85500765       2.73067737    
 H   -4.30048800      -1.46948552       4.16304398    
 O   -6.32320833       3.28635240     -0.175125241    
 H   -6.95246077       2.73820901     -0.657064319    
 H   -5.44394350       2.92600036     -0.365917116    
 O   -2.71453023      -1.15196180       1.48338830    
 H   -3.06192732      -1.12344122      0.583048582    
 H   -2.67166638     -0.230685934       1.77213585    
 O   -6.76340818      0.645525396       6.30313349    
 H   -6.57103300       1.49668670       5.88548517    
 H   -7.08784056       6.27144575E-02   5.60064316    
 O   -10.0389462       1.41222835      0.726378500    
 H   -10.3154507      0.546005487       1.04776204    
 H   -9.99164486       1.98785841       1.49903405    
          69
 Energy    -248.92720352309195     
  O     11.20341187     10.74115498    -11.80569918
  H     11.86459264     11.21382396    -12.32477697
  H     16.26977492     11.84488193    -15.17538381
  O     13.63815264      7.57454709    -15.25307837
  H     10.66449746     10.25529089    -12.44412306
  H     15.50023210      9.42837166    -13.29437755
  O     17.43365175     10.95472773    -10.66501096
  H     13.92516811      7.10418284    -16.04529128
  H     16.36755469      9.45339123    -14.56771982
  O     18.16766075      8.78525756    -17.15375864
  H     14.39186367      8.10151887    -14.94084874
  H     11.52700832      9.56848363    -10.54818100
  O     12.04365650      9.79604709    -15.32300309
  H     16.56296356     10.88396454    -11.09576030
  H     11.20066233      8.99480655     -9.14709090
  O     13.85406508      6.31064707    -12.79781186
  H     17.43805735     11.77744056    -10.18331672
  H     18.14038268      7.47264991    -11.04332700
  O     15.04283661     10.44928026    -11.82910352
  H     17.89723075      7.92460781    -16.78556660
  H     19.45067917      6.70178116    -11.33100637
  O     15.52291087      8.84254733    -18.32990135
  H     18.94273846      8.62299857    -17.68521450
  H     11.99498471      6.62977956    -12.34259774
  O     17.60826292     10.65206295    -15.17074227
  H     12.55499268      8.97222506    -15.34391748
  H     11.27038865      7.52315398    -11.31680803
  O     14.71711483      6.40862075    -17.54525672
  H     11.21393009      9.57674818    -14.88357590
  H     18.90496543      8.91186667    -12.61260144
  O     17.23377994      6.42226815    -16.19150183
  H     14.78048408      6.05071829    -12.88326860
  H     18.48296789     10.29764503    -12.10521741
  O     15.48436563     12.41689292    -15.19390519
  H     13.63450904      6.69953783    -13.65818147
  H     16.32027073      7.28098885    -13.63983319
  O     15.71116318      8.93044263    -14.09325163
  H     14.67842082      9.66689808    -11.39039052
  H     17.38594757      6.49307290    -12.85564734
  O     11.68433415      8.81666501     -9.94888198
  H     14.34967345     10.87091167    -12.35394096
  H     17.19725320      9.15944172    -10.00560280
  O     18.72803326      7.15789534    -11.75395250
  H     16.42860935      8.96917179    -18.02778676
  H     16.08048767      8.09141580    -10.06207940
  O     11.15037731      7.05502368    -12.15275692
  H     14.99559987      9.56935200    -17.96533746
  H     13.23248996     10.54353535    -16.63978395
  O     18.85154985      9.83912611    -12.87109682
  H     17.89188715     10.09154640    -15.90531351
  H     14.49492860     11.41855101    -16.52903891
  O     16.61442965      6.38194732    -13.42462665
  H     18.14039119     10.41967848    -14.39261377
  H     14.12839739      7.44941718    -11.37309540
  O     17.02852456      8.21250195     -9.92183784
  H     14.38722134      5.88397180    -18.26883347
  H     13.41222579      8.28646591    -10.27354801
  O     14.02020398     10.82486270    -17.12117702
  H     14.96729607      7.27765091    -17.91322166
  H     13.99310695     12.00207811    -14.09036789
  O     14.27517803      8.08254927    -10.65671354
  H     17.08073563      6.25459155    -15.25334430
  H     12.84678678     10.97073818    -14.19697359
  O     13.27521289     11.59357492    -13.59047471
  H     16.39331309      6.26067276    -16.63821266
  H      9.01637525      8.74320830    -13.80536780
  O      9.92807370      8.97817142    -13.65512513
  H     15.78912905     13.28630862    -15.44361434
  H     10.33878625      8.22743143    -13.19021886
          69
 Energy    -248.92693726037396     
  O     14.80940363      9.64374366    -16.32929842
  H     15.60094117      9.10040071    -16.21716827
  H     16.63208173      9.83646376    -12.07623888
  O     17.25835659     10.21166145    -13.71802376
  H     14.99803814     10.48087873    -15.89005703
  H     13.86701865      7.44604508    -11.82725883
  O     14.07278630      9.82907163     -9.44550386
  H     17.14863782      9.46520100    -14.32604298
  H     14.89033678      8.57726325    -12.12132827
  O     11.34819640      6.59710499    -14.00206792
  H     16.61438527     10.88062602    -13.97923171
  H     15.02544978      4.33253824    -11.84351174
  O     19.38238776      5.53879713    -12.81419234
  H     14.82182600      9.94496791    -10.04701650
  H     13.73554560      4.17669683    -12.68534493
  O     13.07410804      4.55124570    -14.44672785
  H     14.27527522      9.02338844     -8.95819854
  H     19.81792721      8.77546094    -12.35628628
  O     17.06285304      7.12098973    -10.26324066
  H     11.71194069      7.40795263    -14.38312622
  H     19.03599393      9.71043695    -13.31675299
  O     11.84574406      9.92315230    -11.09074968
  H     11.04434390      6.84013485    -13.11937092
  H     14.97159497      6.84359271    -13.72059492
  O     19.69071309      7.26138971    -15.11248045
  H     19.64808404      6.17831583    -12.14237136
  H     14.62173790      5.59579171    -14.56599126
  O     12.55834623     11.40420619    -13.54000261
  H     19.49021426      5.99262513    -13.65884965
  H     14.28837616     11.80049139    -14.10089884
  O     12.77418691      8.92348774    -14.62322601
  H     12.40842891      5.24697498    -14.29936303
  H     15.22409189     12.85449124    -14.72579665
  O     16.16180816      9.56523990    -11.27704826
  H     12.69101212      3.92913356    -15.05897808
  H     16.45391747      7.34447891    -15.17060012
  O     14.28399253      7.95119478    -12.53567393
  H     16.87685867      6.41496208    -10.90037476
  H     17.92001605      7.73864002    -15.50008061
  O     14.07215881      4.18632966    -11.78052072
  H     16.38041761      7.09254395     -9.58133587
  H     20.24874319      7.65068509    -10.05704566
  O     19.85228655      9.20200798    -13.22191444
  H     12.11097009     10.50219508    -11.81049140
  H     18.79273189      7.46484417    -10.53646764
  O     15.33556222      6.21113027    -14.36104499
  H     12.57940976      9.92548302    -10.45681362
  H     11.08389808      8.38047346    -11.27332208
  O     15.15151296     11.92391424    -14.52446831
  H     19.83882458      7.98313312    -14.47433130
  H      9.84936560      7.50077871    -10.96228437
  O     17.01294844      8.06717912    -15.49281033
  H     20.44292004      7.25261043    -15.69855953
  H     16.29856070      5.48127708    -12.99424963
  O     19.70086965      7.63227646    -10.83799538
  H     11.77139341     11.87416078    -13.80746200
  H     17.67465689      5.11277367    -12.39958432
  O     10.71737423      7.48059837    -11.35616057
  H     12.51947890     10.53002691    -13.96784008
  H     14.64251566      6.72768243     -7.71561741
  O     16.72867675      5.14658707    -12.19511972
  H     13.27125487      8.58924193    -13.85940460
  H     14.18599705      6.85052848     -9.18868893
  O     14.83884110      7.16754087     -8.53871998
  H     13.41443695      9.07554273    -15.33398246
  H     12.23020678      6.61411371    -10.71849516
  O     13.13640185      6.37774127    -10.48839744
  H     16.58748530      8.76530585    -10.93841939
  H     13.37078449      5.53407943    -10.90705303
          69
 Energy    -248.92684230064876     
  O     13.73051493     12.08561475    -12.76531782
  H     14.42255108     12.06500535    -12.09516767
  H     17.76679622     11.26506349    -13.79675311
  O     15.54621214      6.54880117    -14.52625143
  H     14.11589331     11.66056965    -13.54439649
  H     15.59689320      8.80640778    -12.09550616
  O     15.99231526      6.58512910    -10.03753892
  H     15.80509043      5.82617842    -13.93817031
  H     16.96228518      8.76834840    -12.82551906
  O     18.75876767      8.75920153    -12.31146281
  H     15.69143037      7.35021201    -13.99686434
  H     10.61714069     11.39578954    -12.57931282
  O     11.70816492      6.11006487    -10.40973924
  H     15.61405389      7.47480657    -10.08756247
  H     12.16117054     11.33998792    -12.68627424
  O     12.85188314      6.93468434    -13.92256562
  H     15.33330634      6.01409334     -9.62282445
  H     14.86384367      3.85628360    -11.91602850
  O     14.93015192      9.09646444    -10.42748605
  H     19.22398154      8.25990844    -12.99580680
  H     13.31774479      3.78985369    -12.02763901
  O     17.75907146      7.82665128    -15.82133589
  H     18.78617058      8.22175577    -11.51020549
  H     11.78953542      9.87891715    -14.38559187
  O     11.73443850      4.65648458    -12.70941064
  H     12.43936199      5.79407829     -9.86556110
  H     12.34539080      8.50357655    -14.81118645
  O     19.86393684      7.11821385    -14.29964687
  H     11.93217995      7.00942405    -10.68450077
  H     19.09833064      6.90832976     -9.28569872
  O     19.03519405      5.14536818    -12.39706665
  H     13.74413354      6.72948467    -14.23335538
  H     17.75086471      6.78500133    -10.03372641
  O     17.91337168     11.35754720    -12.84851904
  H     12.44710826      6.10637023    -13.63782565
  H     16.13917252      5.55591094    -11.65994895
  O     16.00745387      8.72411486    -12.96390903
  H     15.19590703     10.02129468    -10.50617530
  H     17.25269698      4.84731023    -12.46086269
  O     11.35036786     10.79930435    -12.70046371
  H     14.02710378      8.99474235    -10.76688158
  H     14.00539903      4.29546662     -9.93897695
  O     14.06702224      3.51344114    -11.48660466
  H     17.56933233      8.77217175    -15.80380602
  H     13.89208436      4.28596860     -8.39429640
  O     12.25715713      9.42378926    -15.09585079
  H     16.95080485      7.35970728    -15.57379880
  H     16.36904188     10.69228022    -15.45844172
  O     18.70240014      6.94615303    -10.15253990
  H     10.91277188      4.20200735    -12.87576981
  H     17.45032395     11.25958671    -16.40590114
  O     16.29167927      4.93496528    -12.38398293
  H     11.62590131      5.14073146    -11.87054914
  H     12.02882586      9.28857204    -11.91074597
  O     13.97783407      4.86452467     -9.14723611
  H     19.13512697      7.32287165    -14.91316018
  H     12.70311296      7.98682541    -12.42228730
  O     17.32524877     10.70156051    -15.64201692
  H     20.66431071      7.10434857    -14.81709361
  H     16.23460846     12.36196897    -10.37746979
  O     12.53446703      8.51572229    -11.62859454
  H     19.07177015      5.67414890    -11.59071324
  H     16.62204363     11.59718960    -11.66056325
  O     15.92704462     11.69450247    -10.98590234
  H     19.36231341      5.72053444    -13.10015778
  H     15.16434307      9.84161628    -14.11272839
  O     14.78562179     10.43740243    -14.77694205
  H     18.37491929     10.54850836    -12.58518604
  H     13.92203248     10.08109378    -15.03053527
          69
 Energy    -248.92679282986882     
  O     12.76568218     12.44904632    -11.33970514
  H     12.84670648     13.32741449    -10.97575647
  H     18.76412911      5.21074918    -15.83952229
  O     13.16938954      8.37616338    -15.14004233
  H     13.48013181     12.35470238    -11.99140212
  H     16.66440422     11.54710876    -15.77231350
  O     18.78040473      8.92313862    -11.78612017
  H     12.88921669      9.30149338    -15.08629204
  H     15.35273399     12.10226475    -16.33716709
  O     17.13510023      7.68001310    -17.75782719
  H     12.87158519      7.94503862    -14.32755866
  H     15.85553366      9.08363757    -13.48998726
  O     12.70338961     11.10439101    -14.99835763
  H     19.01604147      8.73220523    -12.71142294
  H     14.86839114      8.55820200    -14.59570142
  O     15.29121778      5.95519983     -9.81861299
  H     19.55950879      9.29000360    -11.37624157
  H     12.46612940     10.85284289    -10.29165267
  O     12.54284981      7.42742299    -12.61922059
  H     17.46004497      7.39005287    -18.60742348
  H     11.54966569      9.61554623    -10.37224171
  O     16.17898736     10.00020350    -11.97456249
  H     17.50917472      7.07429435    -17.09956108
  H      9.39745654      8.74953165    -11.58583182
  O     14.44484214      8.77869958    -17.62371028
  H     13.01406046     11.33016607    -15.88390541
  H     10.41198983      9.73431718    -12.21494181
  O     14.21042077      5.14148620    -12.39288102
  H     13.39579713     11.37998646    -14.38043634
  H     18.86291636      9.05023445    -14.94346165
  O     17.53846567      9.88033383    -15.98201578
  H     15.46125668      5.44631781     -9.03108673
  H     19.11411962      7.54659566    -14.80894769
  O     18.27101452      6.02493867    -15.77745528
  H     16.15131348      6.09720250    -10.25551187
  H     16.19810697      6.88421471    -13.97787268
  O     16.00506421     12.24070702    -15.63953533
  H     13.22055434      7.79114213    -12.03107659
  H     15.64100008      5.54457548    -13.41532020
  O     15.79107652      8.57631684    -14.30964226
  H     11.70622629      7.81406702    -12.33255668
  H     17.25700279      6.18606948    -12.14865531
  O     12.29713308      9.99104913     -9.89002292
  H     15.58586986      9.44505466    -11.44323643
  H     18.01809074      7.24335654    -11.32708292
  O     10.32988981      8.90990693    -11.70204999
  H     17.08596439      9.70920097    -11.82314984
  H     13.66909089     11.78081494    -18.33943658
  O     19.31814127      8.39342416    -14.39859763
  H     15.29924930      8.33462824    -17.64353708
  H     14.16496990     10.50939069    -17.61052938
  O     16.42128721      5.95457775    -13.81454948
  H     13.96889178      8.44228537    -16.85187820
  H     13.67314324      8.92360271    -10.25853015
  O     17.54374092      6.40760733    -11.25241408
  H     13.49976183      5.77907244    -12.54115437
  H     14.59049638      7.62567333    -10.24153275
  O     13.96130107     11.45448180    -17.49282101
  H     14.48391155      5.26934385    -11.47649166
  H     15.26951930     11.34405496    -12.73586671
  O     14.36434218      8.42918472    -10.72489396
  H     16.89587546      9.46012039    -15.38580225
  H     15.22088106     12.20677719    -14.02673848
  O     14.72374220     11.97411638    -13.22784793
  H     17.51455070      9.34005109    -16.77931470
  H     11.27783661     11.20403812    -13.81150491
  O     10.76737841     11.24850014    -12.99168958
  H     17.59962858      5.89050262    -15.08467491
  H     11.31161866     11.76884546    -12.38735161
          69
 Energy    -248.92678012489398     
  O     17.65762769     12.12955566    -15.24796242
  H     16.80783446     12.31880781    -14.83423884
  H     13.50981494      7.35235710    -13.92330385
  O     14.75206420      7.96974108    -12.63523475
  H     18.14302417     11.58357770    -14.61359955
  H     15.92809670      4.58096798    -12.21400595
  O     18.84127734      6.09026320    -13.18952943
  H     15.13264279      8.82945402    -12.40789015
  H     16.53451847      3.63472526    -13.26284638
  O     15.89993135      6.95993250    -17.37922732
  H     15.29911910      7.30177328    -12.19668208
  H     18.01947156      9.29174172    -17.81476709
  O     13.29484014      8.17121989    -17.13515417
  H     18.66316476      5.25197410    -13.63467901
  H     17.59913796      7.81833116    -17.86359704
  O     20.16768357      9.91399898    -11.06079814
  H     18.96390489      6.75699616    -13.87971249
  H     15.68823683      8.07762610    -14.17981503
  O     16.15232177     10.37804266    -12.27097923
  H     15.00700968      7.25808873    -17.58195897
  H     15.77658003      9.08274090    -15.35661244
  O     18.88197122      8.10632006    -15.08583576
  H     16.06788648      7.30861585    -16.48943754
  H     17.55292004      8.15345758     -9.37505158
  O     13.79595851      4.23255693    -14.62250910
  H     12.46060414      8.07286637    -17.58539938
  H     17.51158650      7.07842412     -8.26101210
  O     17.55078134      9.82390255     -9.87529765
  H     13.19464618      7.74404576    -16.26372144
  H     14.79584374     11.50999485    -14.92511207
  O     16.12242259      4.38352440    -16.29197702
  H     20.18518112      8.94084093    -11.01207724
  H     14.26460943     12.74788821    -14.16584847
  O     13.10138669      6.97507640    -14.71290860
  H     21.00904022     10.22263980    -10.73631060
  H     18.53540717      2.99406185    -14.80906334
  O     15.72620418      3.81398150    -12.76695768
  H     17.01820721     10.28303045    -12.69499488
  H     17.40401631      3.97635330    -15.19302827
  O     18.37213007      8.39347324    -17.79976710
  H     15.67582424     11.03978999    -12.78599529
  H     16.86292643      6.45678935    -10.68281664
  O     16.19216433      8.30181928    -14.97118985
  H     18.99262772      8.16027413    -16.04355072
  H     17.34352313      6.20830003    -12.13906473
  O     17.64713837      7.20020997     -9.19640997
  H     17.91971802      8.16385162    -14.95744754
  H     19.71101897      6.75136540    -11.67660035
  O     14.96880520     12.10464138    -14.17536148
  H     13.17821359      3.50594035    -14.60782482
  H     19.28201828      7.07768423    -10.22840782
  O     18.03050281      3.73567583    -14.48641531
  H     14.42966138      4.07142983    -13.90045153
  H     17.43019430     11.44392930    -16.83664462
  O     16.56668479      6.18860636    -11.56123456
  H     16.95626511     10.08878499    -10.58909868
  H     17.36883539     11.63389790    -18.37077541
  O     19.98360784      7.21939085    -10.87576277
  H     18.44466647     10.00266748    -10.19357691
  H     19.30601221     10.24623671    -12.65225713
  O     17.15791341     11.02062406    -17.67123738
  H     15.27446374      4.31362577    -15.83650774
  H     18.92438116      9.55945248    -13.99846222
  O     18.72874431     10.31200009    -13.42268024
  H     16.08760602      5.20689033    -16.79497083
  H     14.23416423      9.68878635    -16.67889734
  O     14.80544207     10.37041962    -16.30077730
  H     13.29198857      6.02845882    -14.68479886
  H     15.52072046     10.56043962    -16.92420096
          69
 Energy    -248.92657346111667     
  O     17.66034283      9.67784043    -10.73222595
  H     17.68039965     10.53346398    -10.28838426
  H     19.31218336      5.30547739    -13.06356980
  O     13.12413618      6.48725776     -9.27157361
  H     17.19623419      9.07208932    -10.12926058
  H     15.34824869      5.73222379    -11.20794825
  O     17.51285036     11.89059251     -9.03623789
  H     12.67375882      6.64533680    -10.11385341
  H     16.49636069      5.30512899    -10.24285961
  O     16.01980846      8.94555937    -12.85654551
  H     13.95245873      6.04461460     -9.50944309
  H     21.09097099      7.16026206    -13.52965507
  O     19.64507391      7.77323380    -10.72189135
  H     17.56463127     12.84201445     -9.05633616
  H     20.08071033      7.29948314    -12.36797710
  O     20.35994024      7.99069221     -8.01916301
  H     16.67716338     11.66275478     -8.58877176
  H     16.46685392      8.67883475     -5.84162478
  O     18.31495957      5.29442662    -10.15324305
  H     16.59872146      8.62994170    -13.56675480
  H     16.42688995      9.66352219     -4.64969841
  O     12.41054547      7.13756171    -11.86090066
  H     16.59978813      9.25812165    -12.14883349
  H     18.59973900      7.55299408    -14.22558006
  O     15.29890009     11.07742157     -7.70822669
  H     20.00404226      7.82148327     -9.82660868
  H     17.36225878      6.83409536    -14.78169351
  O     13.55184770      9.81040900    -11.97536985
  H     19.01179322      8.50111536    -10.80312836
  H     15.37791461      8.50613877     -9.17235573
  O     13.73817494      9.26023620     -9.21122323
  H     21.20847335      8.06954637     -7.59067149
  H     16.02617987      7.15958985     -9.61011894
  O     18.69915695      4.58726975    -12.86067060
  H     19.82919192      8.75391279     -7.72890141
  H     18.13800162      9.95644704     -6.59361500
  O     15.56476844      5.56116150    -10.27966823
  H     18.70364477      6.13866711    -10.41614315
  H     18.51721607     10.75262717     -7.85374008
  O     20.18470875      6.99190138    -13.28446614
  H     18.43617408      5.24725459     -9.19327665
  H     13.40126983      6.19391029     -7.48988471
  O     16.56697023      9.61341406     -5.59159492
  H     13.15269836      6.70947372    -12.30999531
  H     13.27092246      5.31650517     -6.23793920
  O     17.72739280      7.71037983    -14.60718079
  H     12.58532931      8.08064512    -11.95699354
  H     15.31373742      7.21711252    -12.84036592
  O     16.20901594      8.01110836     -9.18888080
  H     15.61049209     10.59356420     -6.93305170
  H     15.42978055      5.82142812    -13.51066766
  O     18.84869110     10.09473138     -7.23186137
  H     14.63566184     10.52205327     -8.13743626
  H     17.88827653      6.06743878     -7.01383551
  O     13.75408751      6.05710542     -6.59693099
  H     14.40825756      9.55332464    -12.35579678
  H     19.27642285      6.46075304     -7.55167928
  O     14.93575074      6.32690618    -12.85314839
  H     13.24717204     10.56388898    -12.47513058
  H     16.37330434      7.42521881     -7.49855554
  O     18.66950675      5.71580031     -7.45872612
  H     13.39265016      8.36063022     -9.13305154
  H     15.45457072      6.67561053     -6.49748842
  O     16.32310038      7.09252453     -6.58909130
  H     13.61919776      9.52818560    -10.13258610
  H     17.38242776      4.78102890    -13.98094490
  O     16.67867517      5.02941156    -14.60761018
  H     18.56640700      4.62073374    -11.90453405
  H     16.61927360      4.32780972    -15.24980981
          69
 Energy    -248.92645427619422     
  O     10.62861580      3.56849054    -20.86121038
  H     10.73343703      2.79201434    -20.28777552
  H     10.40847339     -1.96921330    -19.59397409
  O     13.08978898      4.76741668    -20.42774488
  H     11.44848687      4.07138200    -20.78648728
  H     14.18361861      1.79228644    -19.78178691
  O     12.13548163      5.30098908    -17.87743785
  H     13.63598227      4.01478849    -20.15102056
  H     14.55366213      2.80243515    -18.66710287
  O     10.68798346      1.30548202    -19.34283362
  H     13.39328851      5.01619712    -21.30959273
  H     13.47555986      2.41967963    -16.54967760
  O     12.77395946     -1.01241569    -17.62176280
  H     12.40237505      6.16748274    -17.57734740
  H     13.24233375      3.83672712    -17.13400947
  O     13.17295674      0.35244366    -20.03853021
  H     12.46502935      5.21216844    -18.78608175
  H     10.63047438      2.53639555    -22.39609075
  O     12.85811767      3.03383242    -24.44192120
  H      9.82245031      1.03720217    -19.67598965
  H      9.91616875      1.29667368    -22.99926465
  O      8.22678624     -0.38117169    -17.49942922
  H     10.60249484      1.35282285    -18.38232592
  H     11.33251060     -1.41989595    -21.94449741
  O      7.93731996      1.01180343    -19.90581145
  H     11.95261269     -1.45576172    -17.87874739
  H     10.68154707     -2.81580056    -21.91756740
  O     14.01991351      5.04655416    -23.04408681
  H     13.13782080     -0.65912985    -18.44322192
  H     15.26429100      3.63846926    -22.49069868
  O      8.75583526      0.06820524    -22.40086814
  H     13.07308375      0.09395928    -20.96167664
  H     15.47918299      2.72752479    -21.26715293
  O     10.38208984     -2.03602987    -18.63180384
  H     12.29281417      0.64445658    -19.75364865
  H      9.92113272      2.35636953    -16.68162208
  O     14.64075533      2.62989099    -19.61541830
  H     13.47887612      2.29557955    -24.43002362
  H     10.93720426      1.26423979    -16.17653916
  O     13.90226502      3.14323190    -17.02457969
  H     12.01772858      2.67735180    -24.12314978
  H     12.75749065      0.16996940    -16.38304481
  O     10.67284037      1.89120125    -23.11367524
  H      8.85574515      0.22757396    -17.07352687
  H     13.05161748      0.58094559    -14.91917741
  O     10.61962618     -1.94016421    -21.54051089
  H      7.69521519     -0.76006009    -16.80415845
  H     11.86175791      0.53020285    -22.82823763
  O     15.66619352      2.80727196    -22.21269302
  H      7.85657795      1.95864466    -19.73565735
  H     13.29057951      0.03073729    -23.15169597
  O     10.07854052      1.40289066    -16.59507074
  H      7.84973032      0.54351539    -19.06456343
  H      7.59734768      4.50700286    -20.07573955
  O     12.67465809      0.89591429    -15.73625090
  H     13.55404603      4.37760824    -23.57787738
  H      9.00318167      3.87138912    -20.18279354
  O     12.48115901     -0.19995436    -22.67875401
  H     14.26282635      5.75098489    -23.63872382
  H     15.12839115      1.53068497    -23.27688545
  O      8.17437107      3.86216142    -19.67353765
  H      9.26333682     -0.71005170    -22.14069362
  H     15.45247219      0.57748640    -24.45069592
  O     14.73695568      0.90391427    -23.91181812
  H      8.31105048      0.36981470    -21.59703215
  H     10.48401662      4.50083654    -17.45101212
  O      9.68320065      4.01486315    -17.21607524
  H      9.59744044     -1.56027836    -18.33969304
  H      9.10366475      4.04900408    -17.98615962
          69
 Energy    -248.92601674563645     
  O     -2.20052219     -4.12943786      1.73495547
  H     -3.08319064     -4.03368823      2.11179911
  H     -3.71201732      0.04681495      1.68737381
  O      1.48826756      0.51747057      3.05358231
  H     -1.65704937     -3.48150715      2.20815503
  H     -0.21078499      0.26207773     -3.13168072
  O     -4.72225011     -3.20685809      2.74183578
  H      1.77856218      0.63497926      2.14146318
  H     -1.24935467      1.15600910     -3.85645960
  O     -2.71643109     -3.21486062     -0.90310078
  H      0.58231214      0.85666641      3.10594869
  H     -0.73141158      2.45560918     -0.17552771
  O     -1.99361064     -0.53060165     -0.83424042
  H     -5.49933397     -3.60564854      3.12427365
  H     -0.28095683      1.92547749     -1.55117225
  O     -3.18600984     -0.81043661      3.22155630
  H     -4.98385415     -2.86540404      1.86817787
  H      4.32537325     -0.69512290     -2.04609862
  O     -1.17587681      1.34495270      3.10188893
  H     -2.52012926     -2.26525914     -0.90416491
  H      3.44419826     -1.74535750     -1.33229499
  O      2.10881368     -3.27976094      1.89900061
  H     -2.51494633     -3.55079974     -0.01727138
  H     -0.99088964     -3.34854494     -1.68384121
  O      0.30815288     -1.58594304      0.43439957
  H     -1.19138067     -0.71703921     -0.33105008
  H      0.42884927     -3.99455621     -1.78222742
  O      1.96867475      0.56459422      0.25932667
  H     -1.72791685     -0.03593817     -1.61995719
  H     -2.81684448      3.54197756      0.93920827
  O      1.68698763     -1.84756710      4.27694718
  H     -2.31206610     -1.22851618      3.18187497
  H     -3.00096106      2.01353650      0.82394319
  O     -3.92566399      0.43503830      0.82569381
  H     -3.80749965     -1.54755037      3.24280520
  H      1.55796825     -6.31616833     -1.67644404
  O     -0.94498045      0.88918446     -2.99393323
  H     -1.50527133      1.91090268      2.39385292
  H      1.04226355     -5.51264883     -0.45597042
  O      0.04878587      2.24871101     -0.70355296
  H     -1.90654691      0.76052467      3.32874630
  H      0.92693990     -4.75538967      1.56894678
  O      3.44845334     -0.84447624     -1.70197351
  H      1.52379731     -2.70402597      1.38733994
  H     -0.57017000     -5.09558820      1.33879518
  O     -0.05863985     -3.16412466     -1.85591601
  H      2.13800849     -2.89468825      2.78337815
  H      3.13263844     -3.35795729      0.32414517
  O     -2.33680190      2.72019618      0.86505577
  H      0.91231487     -0.83376835      0.33863544
  H      2.82518627     -4.08840654     -0.98736454
  O      1.45777091     -5.43237382     -1.33447103
  H      0.30408726     -2.12293750     -0.37036016
  H     -4.49821217     -2.56316271     -0.29559306
  O      0.32867587     -5.36557028      1.11741847
  H      2.56555317      0.25156318     -0.43005787
  H     -4.93111380     -1.21706701      0.33437365
  O      3.31636233     -3.34239867     -0.62469965
  H      1.37815206      1.24003337     -0.11182694
  H     -0.02891640     -2.08279717      3.54096358
  O     -5.16239287     -2.15169974      0.27081735
  H      2.00344262     -1.76083510      5.17093705
  H     -0.43724149     -1.78940038      2.07728408
  O     -0.77509140     -2.09855778      2.93079722
  H      1.68958950     -0.95273487      3.88488159
  H      1.87575409     -0.86828583     -2.75974897
  O      1.00330253     -0.94557211     -3.16292536
  H     -3.26064238      0.10242367      0.20110663
  H      0.63000967     -1.77836058     -2.84165028
          69
 Energy    -248.92601323197181     
  O     12.00034374     10.77867360    -14.61350848
  H     12.09253749     10.00428505    -15.18902920
  H     20.19651703      7.58765484    -15.67175784
  O     15.96986533      6.93644074    -12.80660575
  H     12.69881537     11.38740889    -14.87308064
  H     14.71944843      9.75412118    -13.63666715
  O     17.75506209     10.78685478    -12.49695177
  H     15.58249106      7.63153306    -13.36369008
  H     14.00896834      8.81450216    -14.68216704
  O     16.07195822     10.27615295    -16.26886731
  H     15.47501425      6.96753748    -11.97874548
  H     11.53394921     10.15789310    -13.04714898
  O     12.54903764      5.90451376    -14.87061673
  H     17.92771710     11.05689168    -11.58585770
  H     10.40621284      9.96103164    -12.00873837
  O     15.67581863     10.34002930     -8.74709136
  H     17.95515542      9.84002133    -12.54167392
  H     18.63892987      8.17610614    -10.77204711
  O     14.39335390      7.42386480    -10.56804409
  H     15.68506971      9.78852293    -15.52301813
  H     18.54147707      9.32976784     -9.75489830
  O     15.06887119     11.36362570    -12.76037823
  H     16.97297015     10.52387867    -16.01041371
  H     12.96005670      7.00424437    -11.74004494
  O     16.31164710      7.54500181     -8.52308082
  H     11.95417367      5.16303412    -14.94421293
  H     11.87815758      7.90939167    -12.36067075
  O     17.11264176      7.44874908    -16.61566826
  H     12.45182621      6.25300018    -13.96559723
  H     18.99437876      9.88564888    -15.25718897
  O     15.40724353      5.75353278    -15.26837511
  H     15.81611210      9.41088384     -8.52629572
  H     18.36816406     10.91139392    -14.28825051
  O     19.43471410      7.99210150    -15.26483740
  H     14.89906507     10.36250022     -9.32108553
  H     17.60623859      7.59543600    -12.67480071
  O     14.83401367      8.98541936    -14.20961024
  H     14.98819036      7.33251675     -9.81347531
  H     18.88671529      7.97874959    -13.46952326
  O     11.31365701      9.73613160    -12.19799221
  H     14.17890232      8.36622527    -10.62874176
  H     18.42247606     11.87608513     -9.17841447
  O     18.54578683      8.36787399     -9.82922404
  H     16.02737121     11.22963874    -12.70533876
  H     17.17906230     10.97594506     -9.37279319
  O     12.28011935      7.03484994    -12.42467537
  H     14.87895849     11.88977193    -13.54504172
  H     15.08211497      9.35377594    -17.60710050
  O     18.53474813     10.73377373    -15.22372269
  H     16.54550549      7.01063452     -7.76912853
  H     15.22768017      7.89492908    -18.04533069
  O     18.44111904      8.08563644    -12.62143740
  H     17.14252558      7.75923215     -8.98444264
  H     12.79564672     10.05014766    -11.09732352
  O     18.04850785     11.20781410     -9.74612728
  H     16.50633746      6.82420719    -16.18491400
  H     14.18251148     10.66044925    -11.38705672
  O     14.59006333      8.60974537    -17.98284511
  H     16.71375372      8.32130259    -16.54840696
  H     14.98115291     11.70472941    -15.79296645
  O     13.68595913     10.14132753    -10.73675500
  H     14.44457928      5.72385009    -15.23575537
  H     14.43716208     13.14819666    -15.82443376
  O     14.38777280     12.32569566    -15.34266755
  H     15.68130075      5.93762954    -14.35891262
  H     13.24595237      8.46221320    -16.74493723
  O     12.68805830      8.46775875    -15.95437197
  H     18.65926463      7.70711614    -15.77833838
  H     12.53716970      7.55027744    -15.69293438
          69
 Energy    -248.92587987127604     
  O     13.71548055     13.49138703    -15.08808445
  H     13.19470930     14.29072059    -15.08038185
  H     13.65403659      6.40752584    -15.12638245
  O     16.20922982      6.06592139    -13.17272346
  H     13.84163684     13.23060806    -14.16052980
  H     16.54326119     10.00417326    -14.07020277
  O     19.12823086     11.01995101    -12.70211306
  H     15.37536588      5.61671807    -13.36037628
  H     18.08113942     10.20582851    -13.95095655
  O     18.02477924     13.59702602    -13.41537426
  H     16.50833388      6.41911876    -14.01990001
  H     16.83546201      8.10404184    -19.22405713
  O     13.49896631      5.16607777    -13.76500701
  H     20.01321820     10.85866951    -12.38684123
  H     15.58304063      8.44593564    -18.38193062
  O     15.34881359      9.76052186     -9.42188657
  H     18.55104497     11.05467226    -11.91748549
  H     14.19672811      9.91153060    -13.87470414
  O     12.52414081      6.94196645    -11.97621662
  H     17.57155506     13.56799179    -14.27126359
  H     14.99712200      9.38756972    -12.65819508
  O     14.25275385     12.62902131    -12.52585818
  H     18.50656286     12.76853348    -13.31868009
  H     14.71949378     11.05236497    -16.77702707
  O     13.85578464      8.62968473    -18.10425391
  H     13.10530923      4.30303093    -13.67320976
  H     13.63559193     12.00874284    -16.24015376
  O     15.05298279      7.98084224    -11.58043568
  H     13.06784171      5.74450492    -13.10959632
  H     11.73933379      9.53977717    -13.26646378
  O     16.65492659      7.45433978    -15.65479542
  H     14.53138159     10.14045976     -9.79154845
  H     10.40794872      9.74589608    -12.51151364
  O     13.86221352      7.17027627    -15.67950574
  H     15.20362187      9.66021930     -8.48477630
  H     17.01817711     13.85607053    -12.06706874
  O     17.38772933      9.86421896    -14.52669785
  H     11.95703371      7.71503209    -12.06374747
  H     16.57051227     14.70311244    -10.84801940
  O     16.55569910      8.39776306    -18.36140822
  H     13.39463370      7.29367667    -11.73453686
  H     16.75028040     10.75705082    -10.17781291
  O     14.96410071     10.09435167    -13.31881702
  H     14.60147038     11.75601331    -12.76806137
  H     17.04695989     12.17824106    -10.71256439
  O     13.76156955     11.15776703    -16.67847808
  H     14.96199060     13.11058847    -12.07972868
  H     16.66165771     10.13867580    -17.55435675
  O     11.32258698      9.50338643    -12.38867815
  H     13.64272109      9.51518765    -17.78646873
  H     16.91015707     10.57838891    -16.09745741
  O     16.42052155     13.87527357    -11.29509258
  H     13.70055180      8.03385593    -17.35804115
  H     13.39210816     11.59532939    -11.15504451
  O     17.41943171     11.29234207    -10.61943207
  H     15.64892589      7.32559255    -11.97186091
  H     12.48394557     10.35922947    -11.10341869
  O     16.54052611     10.87415051    -16.94370316
  H     15.40233364      8.33966637    -10.75882011
  H     15.60606358     13.55798012    -15.57647749
  O     13.12386495     10.86274263    -10.58606074
  H     16.75030191      7.61875349    -16.60047219
  H     16.62592306     12.66935213    -16.30964385
  O     16.54781475     13.45344277    -15.75212446
  H     16.99443665      8.24797688    -15.21462268
  H     12.92415296     10.10593105    -15.47883655
  O     12.67017949      9.48503901    -14.78192950
  H     14.82205596      7.28755234    -15.63196364
  H     12.99587097      8.61311899    -15.05055796
          69
 Energy    -248.92581811891381     
  O     -1.41268445      0.27583356      2.56652579
  H     -1.51286450     -0.56128486      3.01128275
  H     -3.06904776      3.93579922     -1.86653194
  O     -3.81901612      0.94674649     -3.32782230
  H     -0.49527073      0.56501360      2.72219978
  H      2.15395503      3.87221572      4.90630454
  O     -4.63820273      3.89328940      1.30123425
  H     -4.57451884      0.37081646     -3.41704216
  H      2.18152916      4.18425671      3.38913266
  O      1.57082740      4.05316224     -3.32714142
  H     -3.99207351      1.49430503     -2.54531641
  H     -0.04855278      4.07768908     -0.12432775
  O     -0.99733341      7.06482533      1.88222998
  H     -5.46447310      4.02090211      1.75906575
  H     -0.29084609      3.77010864      1.38922452
  O      1.13355456      1.14790843      2.90690563
  H     -4.03902019      3.43896905      1.92209775
  H     -4.27947476      2.94965166     -0.25805948
  O     -1.09841095      1.02366133     -2.78655649
  H      1.75252042      3.15271184     -3.00916031
  H     -3.10454795      2.01764581     -0.63705581
  O      2.21112553      1.77877364      0.38141785
  H      0.80332856      3.96878444     -3.90349421
  H     -2.45681489      1.85260923      2.87881995
  O      1.72804360      1.49010087     -2.40663583
  H     -1.33589284      7.88036670      2.24309043
  H     -2.16624025      3.35580143      3.07955104
  O      2.92747443      5.00032457      2.09212657
  H     -1.68533567      6.72210211      1.28342095
  H     -1.05023238      2.02021240      0.12400688
  O     -2.95562083      5.98452871      0.30551270
  H      1.60793160      1.20581768      2.06628354
  H     -1.59689669      0.72406206      0.75035192
  O     -2.61009624      4.68318612     -2.27482371
  H      1.33664311      1.96244968      3.38103076
  H      0.05884222      4.31780873      3.49822048
  O      1.68434740      3.72297660      4.09049710
  H     -1.17661328      1.01821740     -1.82129520
  H     -0.77568002      5.43276810      2.76682795
  O     -0.04513954      3.37977068      0.54226670
  H     -1.99026252      0.83123310     -3.10952172
  H      0.74372828      6.99415233      0.96440652
  O     -3.86086943      2.50153804     -1.00299514
  H      1.46910120      2.39994169      0.45181434
  H      0.90695501      6.23639753     -0.34005266
  O     -2.88100266      2.71427584      2.95752049
  H      3.01495514      2.31101070      0.32555766
  H      0.52687297      4.85362680     -2.11675342
  O     -1.58510917      1.23334775     -0.06728018
  H      1.89627488      1.41992077     -1.45799563
  H     -0.95507679      5.15603550     -1.73709350
  O     -0.75912879      4.50058283      3.01694119
  H      0.84474422      1.13716975     -2.56474866
  H     -1.39887879      3.11807521     -5.14526713
  O      1.42095254      6.66425352      0.36295731
  H      2.43084461      5.59569383      1.51564465
  H     -1.02261870      2.55873416     -3.75890949
  O     -0.03975551      5.27457992     -1.45563590
  H      3.52956397      4.51027766      1.51987553
  H      4.09787841      4.19503549     -0.51199774
  O     -1.06573133      3.37317372     -4.28762566
  H     -2.89734537      5.74745760     -0.62635541
  H      5.32813376      3.39900680     -0.01652233
  O      4.40211157      3.55019181      0.15152219
  H     -3.55120012      5.33493917      0.69995461
  H      2.82334213      6.01152017     -1.03026940
  O      3.36967498      5.40266404     -1.53875367
  H     -2.20300345      4.33542468     -3.07862175
  H      2.82545718      5.05675748     -2.25821443
          69
 Energy    -248.92567236924657     
  O      1.03652418     -4.83555386     -4.98804375
  H      0.30942520     -4.78678544     -4.35549846
  H     -2.28956157      1.19866335     -5.53000706
  O     -3.15636036      0.88791318      0.39373965
  H      0.91278097     -4.08390876     -5.58358501
  H     -0.34260659     -0.70182622      0.74450497
  O     -3.73037438      1.70984447     -4.45821195
  H     -3.79716566      0.93270407      1.09906423
  H     -1.28290378      0.53428138      0.77047744
  O     -4.13358533     -1.07773371     -3.83130027
  H     -3.34288488      0.07153271     -0.10267171
  H     -0.68685708     -2.01520655     -5.21875482
  O      0.79208795     -2.28116318     -6.20111555
  H     -3.46029678      1.99078864     -3.56530015
  H     -1.25419465     -1.28472107     -3.93496778
  O      2.13659393     -0.08838862     -2.76829666
  H     -4.44209054      2.28856860     -4.71955687
  H     -0.98062553     -2.99759132      0.13166357
  O      1.36376698     -2.71254341     -2.01623084
  H     -4.09988748     -0.13911308     -4.05692832
  H      0.40698251     -2.57228842     -0.37645605
  O      1.73859714      1.36671783     -0.38922416
  H     -3.37117452     -1.47323620     -4.27069814
  H      1.51414364      1.49861196     -5.25803908
  O      2.62269447      0.80691347     -6.52386583
  H      1.60094547     -1.98994116     -5.75521243
  H     -0.01375883      1.35625514     -5.03262686
  O      3.14818595     -1.51805236     -4.90194772
  H      0.63681966     -1.66618953     -6.92753747
  H     -1.94986095     -4.05276782     -1.59070642
  O     -0.19965364      2.39479308     -2.16368064
  H      2.13987151      0.37238364     -1.92013038
  H     -2.81771727     -4.77125147     -0.53219709
  O     -1.54802247      0.72908021     -5.93286798
  H      1.59807967      0.44907823     -3.36577272
  H     -0.06220739      0.04741166     -8.81092877
  O     -0.36334545      0.26165760      0.84982199
  H      1.47414687     -1.78123470     -2.25216892
  H     -0.44252785      0.29672265     -7.33499284
  O     -1.49373380     -1.79959306     -4.72969508
  H      2.10272052     -3.18698480     -2.41434315
  H     -0.83040762      0.51767389     -2.30008584
  O     -0.21423471     -2.45922573      0.35488741
  H      2.31857019      1.76436037      0.25378532
  H     -1.77412757     -0.64486008     -1.91323060
  O      0.81156872      1.61087308     -4.60243727
  H      1.00402871      0.95850950      0.10682286
  H      2.54146780     -4.45036052     -4.14984428
  O     -2.46059750     -3.92072363     -0.77441333
  H      2.99622944      0.01443188     -6.11734472
  H      3.92081241     -4.76320870     -3.51983012
  O      0.22992149     -0.09719210     -7.91413571
  H      1.94531999      0.50317818     -7.14016099
  H     -3.10627981      2.02958456     -1.14610872
  O     -1.05713708     -0.39397611     -2.50729029
  H      2.92199059     -0.98521794     -4.12420315
  H     -1.98369085      2.60925927     -2.02306003
  O      3.28546896     -4.06522371     -3.65342022
  H      3.39896580     -2.38449821     -4.55996012
  H     -3.79998858     -1.26050738     -2.06573777
  O     -2.94229949      2.47423554     -1.98519170
  H      0.20652724      2.32364338     -3.03912712
  H     -3.19846434     -2.22628556     -0.99033402
  O     -3.42959062     -1.30755398     -1.17144811
  H      0.48925098      2.20649414     -1.51500960
  H     -0.11716071     -3.53018420     -2.65401340
  O     -0.89661556     -3.96857672     -3.03254639
  H     -1.59388792     -0.17059984     -5.57972609
  H     -1.27584444     -3.33652036     -3.65612150
          69
 Energy    -248.92496447083306     
  O     11.22531945      5.46233801    -13.21227235
  H     10.64488798      5.08647148    -13.87004906
  H     15.84276180      5.26825174    -12.47957743
  O     16.68901231      6.51392618    -11.47639826
  H     11.99318338      5.81373173    -13.69371456
  H     15.43515871     10.67407564    -16.01322727
  O     17.63749459     10.85798295    -12.63343789
  H     17.64935217      6.55181993    -11.41969663
  H     15.93011078     10.82687803    -17.47161070
  O     15.56150406      7.74048488    -15.71338426
  H     16.43107623      7.25733656    -12.04693476
  H     16.55926329      9.38144797    -12.91493781
  O     13.19153103      3.74647153    -11.79982649
  H     16.96219495     11.54611962    -12.65443207
  H     15.08861561      8.87889010    -13.06021418
  O     14.51170594     10.99834026    -10.40380378
  H     17.98961294     10.72763729    -13.52721373
  H     10.91676094      6.30897309    -11.62148663
  O     14.92834180      7.34436340     -9.51189053
  H     15.67155310      8.53594372    -16.24594198
  H      9.90304585      6.66951997    -10.51319490
  O     14.36327295     11.19108997    -14.75092063
  H     15.80954504      7.99914914    -14.81131103
  H     18.26626342     10.05164547    -11.15369905
  O     17.21876078      5.59477626    -15.10610372
  H     13.18572292      4.16012935    -10.92310215
  H     18.87944807      8.68989729    -10.77407964
  O     16.37067602      9.62976183     -8.72156843
  H     12.43415181      4.11882978    -12.26071456
  H     12.20789236      5.76061948     -9.75227886
  O     19.25937714      7.26496455    -14.50485967
  H     13.78618698     10.36379086    -10.44499432
  H     13.68151800      5.92210530     -9.33971984
  O     15.35999154      4.74861403    -13.13784722
  H     15.16344662     10.61242200     -9.80531587
  H     18.64320980      9.09847408    -14.97382232
  O     16.04562042     10.30885606    -16.68006855
  H     15.54620623      6.96346583    -10.15230874
  H     17.68869576     10.07739990    -15.71370094
  O     16.01403877      8.60274195    -13.08062683
  H     15.39796093      8.07806979     -9.09621609
  H     20.23685796      6.61358450    -11.52074424
  O     10.82189109      6.74505239    -10.75993098
  H     14.68148212     11.74057274    -14.02433297
  H     19.41496785      7.20312706    -12.68732262
  O     18.47798478      9.48087396    -10.39973959
  H     13.83947861     10.49078873    -14.33871667
  H     15.28018272     13.44665102    -12.22315560
  O     12.98637656      5.26499446     -9.47417833
  H     16.64371853      6.24966631    -15.52657398
  H     15.03203417     12.00747065    -11.71298207
  O     18.43761690     10.03099594    -15.10618368
  H     16.65427544      5.12286825    -14.48058217
  H     14.12819717      5.82625023    -13.91540088
  O     19.44351276      7.10425563    -11.72229011
  H     16.67706066      9.93109439     -7.87051822
  H     14.05061255      6.84710165    -15.06232332
  O     15.37742689     12.52851233    -12.46092568
  H     17.15615290      9.55906420     -9.29390463
  H     12.02463613      8.16869127    -10.60698083
  O     13.51718936      6.41849835    -14.38050777
  H     18.55053219      6.62636336    -14.70127104
  H     13.53107135      8.23663295    -10.25430235
  O     12.79628915      8.74694516    -10.62740196
  H     19.97068655      7.07286584    -15.11196747
  H     13.02158599      8.98650228    -12.39179189
  O     13.26439076      9.03647163    -13.32674782
  H     14.68355422      4.24496155    -12.66155031
  H     13.23159526      8.13688167    -13.67625379
          69
 Energy    -248.92495750625247     
  O     12.49775111      9.44537782    -10.38350471
  H     13.03173130      8.85435454    -10.92875297
  H     13.92159355     10.90936099    -13.28379112
  O     11.16462656      6.84243927    -12.86550857
  H     13.07357456      9.83998946     -9.71853461
  H     14.15736891     14.82385415     -8.46951702
  O     11.00785107     11.23035031    -11.75979885
  H     10.79013850      6.22511826    -13.48845846
  H     13.91412414     15.53745578     -7.11843347
  O     14.18038501     10.65552107     -8.52115539
  H     11.16619136      7.71394450    -13.29973994
  H     10.51397593     12.28428704    -10.28568775
  O     15.77604843      7.92655150    -10.22696288
  H     11.47734951     10.55810457    -11.23604542
  H      9.58566054     12.32947085     -9.04343374
  O     13.13084406     15.26506368    -11.99625274
  H     11.70860879     11.80839367    -12.09382112
  H     11.36798401      8.47858391     -7.28544524
  O      8.75545860      9.73647820    -10.62501503
  H     14.32406774      9.83278980     -8.03750937
  H     11.23069041      7.36828527     -8.34917311
  O     13.35802973     12.51177693    -12.45385912
  H     13.54734743     11.21126977     -8.04483190
  H      9.85909321     10.38554632     -7.27692664
  O     15.08162246     14.66396974     -9.94569955
  H     15.37555250      7.91116960     -9.35075754
  H     11.25972310     10.88260574     -6.88917799
  O     10.48087920      7.56874210    -10.17235142
  H     15.10470642      7.59343626    -10.84017460
  H     14.81237116      7.59945691     -6.87658248
  O     11.55601799     15.27116573     -9.78758343
  H     13.00509878     16.06141518    -12.50489050
  H     13.49139914      7.82935880     -7.64358411
  O     14.24648713     10.02905079    -13.51924727
  H     12.50838390     15.30787114    -11.24771463
  H     15.00550146     11.50937690     -9.82185380
  O     13.53445530     14.90777842     -7.72526329
  H      9.22291251      8.90594568    -10.45646576
  H     15.92713860     11.32730953    -11.05699273
  O     10.32780670     12.77301466     -9.47435895
  H      9.33447942     10.25905662    -11.18976791
  H     12.38851466      9.55410916    -14.02914078
  O     11.76901260      7.65470677     -7.60434930
  H     13.26587049     13.47264900    -12.46059481
  H     11.12557153     10.03196391    -13.30746350
  O     10.69170202     10.10330635     -6.88024538
  H     14.01108089     12.31315259    -11.76574441
  H      7.48470316     11.15410587     -8.04742265
  O     14.44656944      8.02310951     -7.64853319
  H     15.33047208     13.75192408    -10.15003365
  H      8.42721690     10.56536380     -9.12629364
  O     15.36502616     11.96287498    -10.59952504
  H     14.55743878     14.96677157    -10.69654647
  H     17.54555847      9.69227747    -12.19044563
  O     11.45172814      9.35476086    -13.91194445
  H     11.18098536      8.23735365    -10.09410176
  H     16.40273287      9.16817099    -11.28892291
  O      8.39791283     11.10570483     -8.31629771
  H     10.61842540      7.15300393    -11.03159794
  H     13.91907984      8.36231159    -12.71880857
  O     16.63704787      9.84803081    -11.94634188
  H     10.99929010     14.48675706     -9.69076215
  H     12.95264145      7.18778637    -12.38510118
  O     13.76999864      7.62246134    -12.11298211
  H     12.13737823     15.27518493     -9.01749790
  H     11.63533865     12.50375513     -8.20828328
  O     12.30021967     12.38808036     -7.51411282
  H     15.13405055      9.97611280    -13.14057212
  H     12.74592300     13.24039287     -7.43129402
          69
 Energy    -248.92432414481459     
  O     11.60326791      9.23076700    -14.17029399
  H     11.92660242     10.10489119    -13.92012813
  H     18.26322946      9.19567212    -14.34992656
  O     16.74359332      6.02125815    -13.27412976
  H     12.15786913      8.93919294    -14.90555317
  H     15.08308712     11.41873224    -15.80963171
  O     17.05628833     10.32853169    -11.16436527
  H     17.59384368      6.28806106    -12.90382119
  H     15.81517426     12.00399939    -14.56808519
  O     17.35392677     12.00621453    -13.57289064
  H     16.18143704      5.71704287    -12.54891330
  H     15.72376061      7.52619660    -13.58288915
  O     13.76478273      5.51828204    -16.20356038
  H     16.11348196     10.26176404    -11.37760418
  H     16.03202565      8.73589878    -14.46916722
  O     14.99356954      7.43060882     -8.28938680
  H     17.54331006      9.98605632    -11.92520701
  H     11.38900786      7.95001121    -13.02496922
  O     14.89370748      5.42493993    -11.32182104
  H     17.94769901     11.26051878    -13.72948289
  H     10.39563256      7.04472838    -12.25918308
  O     14.41763130      9.97248053    -11.88761169
  H     17.16331824     11.94252146    -12.63210675
  H     18.00980431      7.56921712     -9.31134361
  O     17.29082520      8.81693258    -15.85321757
  H     13.55432243      5.39528891    -15.25988892
  H     17.67459479      6.06875776     -9.41673846
  O     16.16105644      5.05238048     -8.83493397
  H     13.38752422      4.77482215    -16.66571962
  H     13.74611645      5.15843826    -12.83602546
  O     16.59494968      6.15194330    -16.06112894
  H     15.67791201      8.10537106     -8.38342927
  H     12.46277435      5.91313881    -13.21936974
  O     18.56852913      9.42959092    -13.46122964
  H     14.34969822      7.59065631     -8.99280104
  H     18.92486808      6.88073803    -11.29900161
  O     14.95347274     11.92594998    -15.00180853
  H     15.31544940      5.11806458    -10.51061787
  H     20.02886519      6.49088023    -12.31124299
  O     15.37005169      8.38071599    -13.86151344
  H     14.42591625      6.24031772    -11.08868503
  H     17.60612305      9.78349436     -8.09619920
  O     11.32482240      7.20118660    -12.40528878
  H     14.73456086      9.42075143    -12.62287668
  H     17.19188560      9.62825415     -9.57701534
  O     18.30894022      6.73737846     -9.70019636
  H     13.82522975     10.62857087    -12.27169754
  H     14.12550694      8.30914096    -15.16518169
  O     13.13804177      5.31788428    -13.56760685
  H     17.11654361      7.87919308    -16.03658928
  H     13.52200293      7.35589840    -16.21121093
  O     19.19533643      6.94785129    -12.23246961
  H     16.73784448      9.33101968    -16.45235724
  H     13.77832563      8.55831084    -10.98348518
  O     17.22617897      9.16965586     -8.71946258
  H     15.71169657      5.86698895     -8.54144384
  H     12.63468406      7.52867575    -11.11219048
  O     13.56443400      8.28619649    -15.95682896
  H     16.10375175      4.42990613     -8.11552373
  H     13.56137449     11.81670248    -14.01841328
  O     13.44315043      7.72476586    -10.62287172
  H     16.72274711      5.95236521    -15.12211712
  H     12.41747886     12.55020337    -13.27620765
  O     12.80942561     11.69184052    -13.40929797
  H     15.68183608      5.90404337    -16.24394112
  H     14.53588959      9.48379000    -16.88875366
  O     15.18005705     10.12852210    -17.22716561
  H     18.88414645      8.61114967    -13.05916442
  H     14.95353034     10.29423076    -18.13873637
          69
 Energy    -248.92413546234360     
  O     15.15078140      9.94057075    -14.00431267
  H     14.38860439      9.37910864    -14.12076265
  H     19.45515892      9.64978355    -10.57703333
  O     17.29561034     15.84041130    -16.29407348
  H     15.45761479     10.18281194    -14.89596126
  H     20.88414551     16.71242384    -12.03515450
  O     21.30544336     10.11906241    -15.83458953
  H     17.08981729     16.51294359    -16.93691187
  H     19.37246898     16.53497344    -12.25927351
  O     19.27250139     12.80544256    -10.21147443
  H     18.04310578     15.32411181    -16.64972950
  H     20.80619139     12.12723333    -10.90529228
  O     15.07033285     12.68397040    -12.96093445
  H     21.39465132     10.84095625    -15.18875360
  H     21.63239613     10.83468692    -11.15065927
  O     21.22284262      9.03262640    -11.11822909
  H     22.15820493     10.01397118    -16.24960497
  H     16.81656953      9.56722553    -13.28597367
  O     18.93862661     11.45851479    -16.71439367
  H     19.62283796     13.58743129     -9.76778754
  H     17.90304926      9.72936111    -12.15109512
  O     20.93631316     14.76770120    -14.68280191
  H     18.58328149     13.12822857    -10.81140399
  H     20.04145041     14.46252359    -16.31769720
  O     20.40607613     15.23910082     -9.35097731
  H     15.18377175     13.07959202    -13.83659763
  H     19.28242347     13.33428355    -17.06859006
  O     21.14160914     12.11354560    -13.95058376
  H     15.01210123     11.73655892    -13.12793498
  H     22.67352931     15.50004423    -12.16103476
  O     16.10760201     10.84001972    -16.41731574
  H     21.63228782      8.25184278    -10.75578531
  H     23.33589698     16.68583301    -12.90416186
  O     18.58133315     10.05780189    -10.53600174
  H     20.95200420      8.81244362    -12.02777364
  H     19.31211939     15.34386135    -14.01965221
  O     20.03010383     16.74898492    -11.58620048
  H     18.69652413     11.69821550    -15.80779289
  H     17.96635352     15.91572474    -14.50513869
  O     21.64003275     11.79264556    -11.27003495
  H     19.72041907     10.90028899    -16.62637705
  H     22.02602224     14.66104912    -10.20654161
  O     17.76296172      9.59385381    -13.10221852
  H     21.55030069     15.30929878    -14.17116538
  H     22.51223295     13.42719689    -10.98552154
  O     19.38729927     14.29140975    -17.00867671
  H     21.11637810     13.84829855    -14.44110392
  H     20.62832610      8.94834939    -14.43876409
  O     22.53828133     16.16564849    -12.86002950
  H     20.30414603     15.77103004     -8.56633279
  H     19.36921968      8.80133440    -13.54930681
  O     18.46523091     15.69824465    -13.70968255
  H     20.19492537     15.81313541    -10.10910931
  H     18.10952692     12.66502523    -13.31796721
  O     22.69148647     14.36532994    -10.84082459
  H     20.17348375     12.08974311    -13.94765558
  H     18.14350940     11.17671978    -13.76266058
  O     20.30133208      8.55093334    -13.62490203
  H     21.42196531     11.99244275    -13.03319174
  H     16.89401656     13.06240236    -15.00574103
  O     18.36325528     12.07849442    -14.04322210
  H     17.01519397     10.81619508    -16.73977519
  H     16.40038763     14.30746372    -15.77868839
  O     16.12009622     13.45151674    -15.43331622
  H     15.92210262     11.77925667    -16.27489346
  H     16.54091526     13.43496990    -12.22763529
  O     17.44884223     13.71891660    -12.04202854
  H     18.72954866     10.97302849    -10.26667131
  H     17.65660204     14.50912953    -12.55965641
          69
 Energy    -248.92372044083282     
  O      3.30675489    -12.05301815     -6.52349794
  H      2.49445157    -11.57585406     -6.77128308
  H      0.33147041    -10.62518400     -6.52538892
  O      0.07818424     -8.21022381     -4.00789639
  H      3.65270099    -12.44367983     -7.32143775
  H      6.28024286    -10.66075028     -2.13264206
  O      0.64155745     -5.54454180     -3.31092668
  H      0.12908062     -7.27004850     -3.79569417
  H      6.64269052     -9.41588684     -1.31027151
  O      2.04930433     -8.01839322     -6.09424584
  H      0.33717154     -8.68390046     -3.20390834
  H      0.86741289     -9.34100640     -0.92054096
  O      0.34122336    -11.98186167     -3.18258479
  H      0.18141497     -4.72329961     -3.46208241
  H      1.83502450     -9.59595294     -2.11097192
  O      4.74892510    -11.77270489     -2.03076758
  H      1.46508537     -5.50307351     -3.83164551
  H      3.61576748    -13.23725813      0.95583907
  O      3.64605199     -9.81131724      0.89883674
  H      2.84364598     -8.52870938     -5.87247471
  H      2.68277975    -13.01594892     -0.25171164
  O      1.80250678     -6.33492989     -0.81771499
  H      1.42690680     -8.12629284     -5.36202263
  H      5.81484496     -8.80953427     -4.89768233
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  H     -0.19848019    -11.65636084     -3.91014466
  H      6.72651303     -8.87435146     -3.64977937
  O      5.56851022     -5.89263886     -3.87422247
  H      0.49805512    -11.21312293     -2.61216415
  H     -0.73295294     -9.60565371     -4.81404126
  O      1.14621497     -8.45849995      0.68300365
  H      4.39941784    -12.07643453     -1.18492643
  H     -1.95938854    -10.35812611     -5.37624226
  O      1.12399190    -10.53595784     -7.06777876
  H      4.21761140    -12.19717313     -2.72083870
  H      3.98169749    -10.13425027     -2.34796874
  O      6.84996521     -9.88063407     -2.12951414
  H      3.47239344    -10.74773408      0.74654669
  H      3.81564011     -8.57248114     -2.34428220
  O      0.91345476     -9.68783488     -1.81782854
  H      2.79151462     -9.36363896      0.88241698
  H      3.12679604    -12.71987827     -4.80361297
  O      3.34538629    -12.58468372      0.31387776
  H      1.35222055     -6.02559737     -1.61136572
  H      2.07552002    -12.51588085     -3.69082235
  O      6.50994011     -8.33479870     -4.42426976
  H      2.72691649     -6.47597446     -1.06944499
  H      2.69031550     -6.36437807     -5.41577930
  O     -1.02740497    -10.45085265     -5.19363153
  H      4.00941856    -10.48615553     -5.71968454
  H      3.79417199     -5.69716686     -4.55262302
  O      3.45842947     -9.39855617     -2.69509325
  H      3.89912405     -9.60810403     -4.42905426
  H      2.30403856    -13.89863445     -2.23878529
  O      2.96391600    -12.86026333     -3.86352280
  H      6.23074308     -5.22939558     -4.04689988
  H      0.96033984    -13.31286304     -1.86907685
  O      2.87122311     -5.62462022     -4.82089487
  H      5.95933608     -6.75204373     -4.11993368
  H      5.01552385     -7.36837521     -0.97985057
  O      1.69514296    -13.81547428     -1.49416953
  H      0.56238732     -8.21466839      1.39553846
  H      4.86244097     -6.54407953     -2.31046052
  O      4.38069137     -6.98977300     -1.60189741
  H      1.35563504     -7.64022449      0.19423699
  H      6.40438928     -8.28773426      0.98713140
  O      5.90008963     -8.48102602      0.20152374
  H      1.40644589     -9.61840168     -6.95891871
  H      5.11242464     -8.97820131      0.48830967
          69
 Energy    -248.92351001507780     
  O     -2.88573824     -0.52431802      3.02835314
  H     -2.66790520      0.22689134      3.59455446
  H     -5.43380466     -2.48131667      1.32321724
  O      0.71132202      3.61187215      2.55055482
  H     -3.32439758     -0.13730389      2.25385408
  H     -1.84222712      2.05248047     -0.25704306
  O     -0.95448877     -1.40620147      1.31647421
  H     -0.23260849      3.83888284      2.52366283
  H     -2.91642922      3.08889124     -0.74606504
  O     -4.47476454      0.90913468     -2.73353504
  H      1.18001460      4.42007732      2.74477238
  H      1.22273434      2.28929652      1.26912053
  O     -2.18929924     -0.76281701     -2.67214540
  H     -0.08007273     -1.30536351      1.71123399
  H      0.74907616      1.31860235      0.15438464
  O     -4.17808363      0.83893102      1.02480197
  H     -1.59341162     -1.16306799      2.00376334
  H     -4.12495352      2.40565096      4.47317986
  O     -6.36982961      0.91528509      2.78100700
  H     -5.08950501      0.43380252     -2.15955659
  H     -4.89705381      3.55928402      3.79076631
  O     -7.58871668      1.72384765      0.31273939
  H     -3.68568034      0.35584376     -2.79175738
  H     -2.10324025      3.58167589      1.52079112
  O     -2.28315402      1.89229960      4.30322278
  H     -1.81959487     -1.26651516     -3.39238093
  H     -2.82561169      4.48372471      2.54190256
  O     -4.19271785      3.48744896     -2.01886127
  H     -2.43116911     -1.40326618     -1.97700220
  H     -5.03103469      5.85290834      2.72006069
  O     -5.95975194     -0.29759600     -0.67947896
  H     -3.69117658      1.62938650      0.76720963
  H     -5.03638766      4.63422148      1.76826941
  O     -5.40730223     -2.83154367      0.41432183
  H     -4.86473793      1.06726231      1.66776177
  H     -4.51631593     -1.51473309      3.14502226
  O     -2.41665782      2.78131883      0.01948164
  H     -6.02603761      1.59390078      3.38369194
  H     -5.89837185     -0.89125448      2.92683198
  O      1.47626573      1.50805750      0.76166353
  H     -6.96460533      1.32109035      2.14276631
  H      0.75823557      0.58201250      3.80610744
  O     -5.01202942      2.73107813      4.27187700
  H     -8.48590992      1.68785227     -0.00952589
  H      0.64098345      2.11306137      3.78586439
  O     -2.00979572      3.99077791      2.39656929
  H     -7.11682409      0.97789362     -0.09368594
  H      1.59539867      0.12136389      1.82965290
  O     -4.62518767      5.00306850      2.57026910
  H     -1.36662480      1.64324225      4.49368656
  H      2.36850086     -1.01501697      2.54158325
  O     -5.42258584     -1.73277090      2.89100268
  H     -2.22165144      2.59534231      3.64289488
  H     -3.61558810     -2.59168937     -0.23462257
  O      0.41645021      1.33163772      4.30663148
  H     -4.32235866      2.57269880     -2.32945500
  H     -2.13546333     -2.23520696      0.09199949
  O      1.50320563     -0.62540354      2.44864656
  H     -4.14317889      4.03855253     -2.79491914
  H     -0.90578319     -0.05411065      0.06992608
  O     -2.75212056     -2.42285888     -0.62808590
  H     -5.94535086     -1.23624007     -0.46075998
  H     -1.19514636      0.22972935     -1.42196551
  O     -0.84005471      0.62558873     -0.61728218
  H     -5.24793941      0.09188623     -0.14277869
  H     -5.26622667      3.83117778     -0.49002699
  O     -5.74748936      3.90940911      0.34257823
  H     -5.78184190     -3.70757168      0.44912413
  H     -6.42340285      3.22152828      0.32595547
          69
 Energy    -248.92333071922897     
  O     15.44956908     11.87712761    -17.56011577
  H     14.96164389     12.57282784    -17.99318477
  H     16.50995252      4.70967925    -14.76806566
  O     16.02859324      6.21569213    -13.84183650
  H     14.80287185     11.36831863    -17.04078845
  H     19.64301446      6.80325713    -12.34498491
  O     17.55450813      9.35620147    -11.66042833
  H     16.34569456      6.29048173    -12.93271542
  H     18.45004918      6.04699788    -11.73119901
  O     19.71988371      6.00138895    -16.49937707
  H     16.48357592      6.90118940    -14.35513051
  H     20.11956405     10.76919283    -18.07463790
  O     17.23386634      5.11575137    -17.76684124
  H     18.47793688      9.16187246    -11.86118991
  H     18.69870541     10.18853315    -17.88878443
  O     14.79962752      9.79753947    -10.69303999
  H     17.24443701      9.87111241    -12.42058517
  H     18.09570849      8.25353748    -15.39643854
  O     13.60888344      7.47478049    -13.66968125
  H     19.74762957      5.36439157    -15.77295400
  H     16.75503004      8.07425355    -16.19260893
  O     16.75046921     10.57803710    -13.99892224
  H     18.94725403      5.76730304    -17.02489320
  H     13.67339933     10.44993527    -15.16514857
  O     19.58870343      4.20782408    -14.29012661
  H     17.28117607      4.43345013    -18.43141374
  H     13.49503289      9.48125459    -16.34882565
  O     13.93279175      7.03733395    -10.89285174
  H     17.07490264      4.67007455    -16.91492441
  H     13.33322922      7.43951978    -15.47801528
  O     19.90130218      8.49661198    -15.44501425
  H     15.75636007      9.74345312    -10.80450265
  H     12.49215851      7.15820643    -16.73950707
  O     16.94589144      4.03774319    -15.31110857
  H     14.49515289      8.88953902    -10.57729650
  H     20.95989765      8.98324748    -12.47056642
  O     19.27556540      5.92023867    -12.21483742
  H     14.45234143      7.00060619    -13.75362869
  H     20.06907135      8.60985157    -13.67470638
  O     19.51504718     10.43507723    -17.41685296
  H     13.79946869      8.42135836    -13.57610151
  H     15.83639599      6.72492482    -10.92472862
  O     17.13424498      8.21536139    -15.31590614
  H     16.84260965      9.74912391    -14.49256944
  H     17.00610988      7.66178666    -11.32536666
  O     13.66289750     10.40395866    -16.13050311
  H     17.13343204     11.27114779    -14.55186772
  H     16.68932488      9.03865843    -18.43629650
  O     13.31773712      7.53551209    -16.44354129
  H     20.20799764      3.53396604    -14.02278159
  H     16.53832494     10.57085233    -18.34394953
  O     20.11804869      8.59895199    -12.70385688
  H     19.47641343      4.80064758    -13.52579994
  H     15.02838173     10.42093354    -13.64576729
  O     16.75750879      6.73109664    -11.20905295
  H     13.21209788      6.59127194    -10.45422729
  H     14.16987504     10.19821405    -12.39505193
  O     17.15138509      9.87024989    -18.60265974
  H     13.67710968      7.12826786    -11.82377329
  H     16.99319209     12.21845820    -16.49570753
  O     14.12939750     10.19312278    -13.36072726
  H     19.96372027      7.62936518    -15.87748592
  H     18.44860090     11.72398193    -16.38711839
  O     17.77398071     12.23580072    -15.92593835
  H     19.87149837      9.18097656    -16.12653381
  H     14.98598734      7.44784599    -17.34665734
  O     15.87884239      7.54602690    -17.69911306
  H     17.83249160      3.94660917    -14.93895735
  H     16.27445741      6.66757688    -17.78866648
          69
 Energy    -248.92322315802156     
  O      2.03897379     -2.62069302      5.20566717
  H      2.58329832     -1.82149146      5.16246667
  H      3.17358230     -1.16066573      1.43465935
  O     -3.84740285     -2.36702154      5.96563350
  H      1.67365396     -2.79050335      4.32692957
  H      1.17171354      1.94813085      4.05815734
  O     -1.94887824      0.48859409      8.70123751
  H     -3.99621698     -1.44561300      6.20077849
  H      1.29123178      0.99966876      2.84544480
  O     -0.31701271     -5.15974531      6.94149220
  H     -3.20395527     -2.69393743      6.61260652
  H     -0.28704847     -0.29890873      1.69506204
  O      0.83078455     -2.96261001      2.76543174
  H     -1.13842283      0.87271963      8.34449046
  H      1.12739843     -0.42027939      1.09477133
  O     -0.76220426     -4.83770005      4.21605986
  H     -1.66037968     -0.26679335      9.22840444
  H     -0.75917244      3.43949096      4.82992344
  O      2.35305545     -4.17408723      7.39809564
  H     -0.42862111     -5.13797357      5.97817678
  H     -0.91745348      1.89891287      4.84538086
  O      2.97416393      0.36288693      7.97189007
  H      0.60849590     -4.96369925      7.12223461
  H      4.20500377     -0.29006366      3.37414764
  O      1.71975219     -1.99636827      9.10524913
  H      1.43713444     -2.65492740      2.08094389
  H      3.42475840      0.72356356      2.57245079
  O     -0.83061408     -1.78776317     10.00834659
  H      0.05059260     -2.39127803      2.72805330
  H     -0.78872029     -1.88895954      6.66541149
  O     -1.51493318     -1.38127931      2.62876561
  H     -0.13813341     -4.36913645      3.64961107
  H      0.51831649     -1.77785224      5.82237685
  O      2.56426901     -1.71753490      0.92022000
  H     -1.62320659     -4.44906453      4.02048437
  H     -3.46713629     -3.04387819      4.41895679
  O      1.79080934      1.38588735      3.58219460
  H      2.28632070     -3.66703528      6.56933871
  H     -3.94452186     -3.89588755      3.21989354
  O      0.49435534      0.21427642      1.45152660
  H      3.13393576     -4.71715866      7.32678604
  H      0.25131847      1.76872151      6.61856206
  O     -0.30473470      2.62881713      5.04352981
  H      3.43292026      0.97323343      8.54426461
  H      0.23200879      0.24941997      6.95018343
  O      4.05069286     -0.00422526      2.46549727
  H      2.09024314      0.73714447      7.81110212
  H     -3.21034593      0.41924290      7.47837385
  O     -0.24053235     -1.28212784      6.15007104
  H      1.95760100     -2.77784723      8.58975831
  H     -4.60792165      0.89820725      7.02421218
  O     -3.19288770     -3.42007188      3.56317811
  H      2.23364113     -1.26416884      8.74829222
  H     -1.31925703     -3.85113035      7.48726869
  O      0.44784580      1.12592470      7.31074090
  H     -0.85277801     -2.07995727     10.91564554
  H     -1.55133420     -2.72002250      8.55151247
  O     -3.84402658      0.40433642      6.73892063
  H      0.09721253     -1.84831071      9.71761859
  H      2.79149502      0.35273932      4.73482857
  O     -1.79645287     -3.02590701      7.67175526
  H     -2.13411039     -2.09893764      2.81674687
  H      3.36426130      0.01010469      6.14806932
  O      3.38346321     -0.24475111      5.21870809
  H     -1.70877370     -0.69361586      3.28030459
  H     -2.65563241      0.46558211      5.31491264
  O     -1.87465124      0.40355544      4.75045747
  H      3.02204766     -1.95844098      0.11922867
  H     -1.28841936     -0.24332178      5.17754876
          69
 Energy    -248.92299494306710     
  O      0.00622642      3.18192671      2.65598563
  H      0.74871824      2.56474856      2.66332804
  H      2.47938299      2.22791110     -0.46223922
  O     -3.13149059      4.88462659      0.56253956
  H     -0.73617656      2.75763886      2.20477216
  H     -0.77894953      4.46114717     -2.47290266
  O      1.43888335      7.55141750      1.17665389
  H     -2.95679456      5.46326510      1.31451967
  H     -0.30167196      2.98743230     -2.36591429
  O     -1.33969410      5.70283263     -1.35321656
  H     -2.59537444      5.21931698     -0.17208879
  H     -1.01506212      8.55585681     -0.75382259
  O      2.79848561      4.04563155     -0.65703280
  H      2.08556378      7.26356698      1.83088237
  H     -1.27387210      9.15705014     -2.15797964
  O      0.49002977      4.99982472      0.54763274
  H      1.82865171      7.55895997      0.28875257
  H     -3.23004159      0.22326988     -1.44462490
  O     -2.36611093      6.60011302      2.68467111
  H     -0.66499549      5.47546137     -0.69153512
  H     -2.83417506     -0.77815882     -2.55444790
  O     -0.48730497      1.58776029     -1.15664343
  H     -1.23668647      6.63812289     -1.56629903
  H      3.54468983      4.10112851      1.07873011
  O     -0.03966469      5.70276760      3.79368342
  H      2.77352075      4.37495171     -1.56145686
  H      3.26549075      3.20518230      2.29814434
  O     -2.08126885      2.35316762      1.03420361
  H      1.97768881      4.36209562     -0.24767083
  H     -4.33824979      3.89759902     -0.52927431
  O     -1.11862166      8.54215174      0.97200524
  H      0.75459398      5.86919844      0.87960918
  H     -4.22101057      3.19053210     -1.90840381
  O      2.13200190      1.36340523     -0.20216289
  H      0.33336087      4.42308082      1.30465719
  H     -2.94252104      1.81150940     -3.11069536
  O     -0.35400009      3.74244789     -2.96848320
  H     -2.92766690      6.89493713      3.39770936
  H     -2.20472222      3.12824805     -3.38307388
  O     -0.86054969      8.42576265     -1.70816288
  H     -1.53127734      6.31280782      3.09468821
  H      2.62106106      0.76592584      2.88241262
  O     -2.63396793      0.08383499     -2.19827273
  H     -1.08966596      0.96503148     -1.58140137
  H      2.24585896      1.39190718      1.51565950
  O      3.62383905      4.06279832      2.04124077
  H     -0.95870334      1.92638485     -0.38307311
  H      2.39636241      5.08719007     -4.05747559
  O     -4.72721362      3.20880936     -1.08224543
  H     -0.03885239      4.76155884      3.56514044
  H      1.22116635      4.60553759     -3.18071955
  O     -3.08553327      2.74590629     -3.30193876
  H      0.87560214      5.99241368      3.71591518
  H      3.43797252      6.59235923      3.92013375
  O      2.28098150      1.55785703      2.47601349
  H     -2.44945498      3.23860994      0.89128264
  H      3.11518975      5.50176740      2.87383603
  O      2.05258493      5.10792092     -3.16776708
  H     -2.78766294      1.72836181      0.83817123
  H     -4.99228334      0.44322056      0.43094746
  O      2.77957136      6.31637142      3.28827711
  H     -0.19489939      8.30970346      1.15500327
  H     -4.50950216      1.65688406     -0.40578505
  O     -4.23866546      0.79480434     -0.03429355
  H     -1.64647375      7.95698041      1.52569363
  H      1.00455747      7.89658668     -1.72517187
  O      1.87553804      7.52228203     -1.53956999
  H      1.24243224      1.31907214     -0.57658423
  H      1.96091785      6.75019140     -2.10976378
          69
 Energy    -248.92297063047056     
  O     14.47077300     13.29650955    -15.69675799
  H     15.10296673     12.74696125    -15.20541160
  H     13.91480030     10.32897618    -16.07938865
  O     17.08714930      8.00835152    -17.02863735
  H     14.14366144     12.74793152    -16.42000725
  H     17.07325178     11.25369271    -17.89167329
  O     15.15634015      9.84532133    -11.32836603
  H     16.39304449      7.70051445    -16.42202837
  H     16.68769585      9.75398482    -17.71163259
  O     17.40789284     15.43039858    -13.48364121
  H     17.31253165      7.26521243    -17.58375292
  H     13.31656054     11.28961762    -18.43980734
  O     15.15087229      7.39466969    -15.17252660
  H     14.88085103      9.18270718    -10.68399814
  H     14.73999684     11.08063078    -17.85924231
  O     14.20235031      7.67225707     -9.81632940
  H     14.36760380     10.08547090    -11.83640565
  H     18.23348271     12.81207381    -12.24240672
  O     15.52544217      6.03563741    -11.53928613
  H     17.92923082     16.22595560    -13.41135301
  H     19.03695860     12.70359047    -13.55637234
  O     16.19454652     11.56936347    -14.33570469
  H     17.99476100     14.68838779    -13.24480811
  H     13.77622158     13.74493867    -12.66810323
  O     12.91643740     10.47516401    -12.85482923
  H     14.55026601      6.80178091    -14.70501547
  H     13.43569677     13.32250608    -14.09881552
  O     16.77960851      8.14352196    -12.96977270
  H     14.71379970      8.25990935    -15.23159370
  H     18.21907058      8.63435948    -14.10819297
  O     18.91683726     11.59833370    -15.00621241
  H     14.70260883      7.01831587    -10.33704192
  H     18.29830032      8.55042283    -15.64458511
  O     14.18950326      9.91897636    -15.25062149
  H     14.20700143      7.36968226     -8.91272206
  H     12.80141051      5.22274815    -13.67223803
  O     16.37653179     10.60380881    -18.04500738
  H     14.86677274      5.81917458    -12.21065127
  H     12.97630966      6.61288499    -13.01713086
  O     13.82434563     11.33313777    -17.63506435
  H     16.14453515      6.64126591    -11.96920197
  H     15.94413147     14.97841412    -12.45217088
  O     18.86838329     13.28312910    -12.79953598
  H     16.25107423     11.76724243    -13.39305634
  H     15.11495138     15.34799183    -11.20438560
  O     13.16216872     13.20601921    -13.17928201
  H     17.10510468     11.55083719    -14.65534895
  H     15.96335542     14.29433602    -16.14155112
  O     18.75787812      8.89129001    -14.86843937
  H     12.87669458     11.44242399    -12.86229052
  H     17.10155404     14.91701717    -15.32206004
  O     13.43497921      5.92008288    -13.52627382
  H     13.23414149     10.21996149    -13.73243443
  H     16.02577658     12.93310233    -11.50024737
  O     15.25621164     14.65717996    -11.84792039
  H     16.22082807      7.89994830    -13.72101612
  H     16.10247722     11.37351986    -11.32835938
  O     16.88234639     14.59023477    -16.20165189
  H     16.29109683      8.79893524    -12.45511341
  H     12.34931727      8.78377601    -12.26399164
  O     16.59388130     12.16016649    -11.60382359
  H     18.86407968     11.88750199    -15.92411175
  H     12.80715011      7.81664941    -11.15176966
  O     12.32222148      7.85877168    -11.98526887
  H     18.98902723     10.63129082    -14.98326956
  H     17.79399444     13.38700782    -17.08460528
  O     18.27367839     12.66357702    -17.52722818
  H     14.94912493     10.42777172    -14.92406574
  H     18.82333837     13.06706031    -18.19392193
          69
 Ord_Energy   -248.922699    
 O   -3.48350739       2.43307829      -1.30302000    
 H   -2.90821147       3.08669233      -1.69418728    
 H   -3.58308268       2.67378163     -0.368667245    
 O   -6.56330681      -4.48080397       4.85062122    
 H   -5.61897707      -4.34278059       4.99522066    
 H   -6.62703276      -5.17184496       4.18017387    
 O   -5.74707365     -0.218539670      0.654052675    
 H   -6.28794861     -0.865087152      0.179644316    
 H   -4.85525417     -0.252019733      0.289025545    
 O   -6.49439669      -6.24990129       2.55371737    
 H   -6.66540384      -7.18233156       2.45549536    
 H   -5.52689838      -6.13672638       2.54464126    
 O   -5.75768280      -1.41342986      -2.71077824    
 H   -6.48999643      -1.65947998      -2.12935925    
 H   -5.77586889     -0.447901219      -2.77353096    
 O   -7.02143049      -3.77718067       1.30947697    
 H   -7.30946016      -3.25335765       2.07221127    
 H   -6.95763731      -4.69031000       1.61412668    
 O   -5.84380627       1.37456751      -2.57354069    
 H   -6.53575420       1.58532727      -1.93296695    
 H   -5.05291891       1.81280398      -2.24030805    
 O   -3.72085309      -4.02809906       4.96282196    
 H   -3.63351583      -3.20521164       4.45214796    
 H   -3.11144137      -3.96361852       5.69349337    
 O   -9.63890934     -0.160024017       6.02905415E-02
 H   -9.58330345     -0.176992565       1.03335619    
 H   -10.5652103     -0.146543682     -0.163961962    
 O   -2.52696419      0.562055290       2.17500925    
 H   -2.75741553     -0.192810625       2.72662473    
 H   -2.55875683      0.224372998       1.26693881    
 O   -3.64013505      -1.83435655       3.31926537    
 H   -3.78470111      -2.28696871       2.47519946    
 H   -4.41194105      -1.26762795       3.47109890    
 O   -3.85400343      -5.61044455       2.58577538    
 H   -3.69123149      -5.20142174       3.44523644    
 H   -3.83693027      -4.88379908       1.94752777    
 O   -9.33730125     -0.213909194       2.73454595    
 H   -8.86810684      0.520002425       3.14871335    
 H   -8.92989922      -1.02170491       3.07611489    
 O   -4.24910688      -3.31423736      0.999070823    
 H   -4.01934099      -3.13697243       7.99337775E-02
 H   -5.20881271      -3.42861652       1.04513764    
 O   -7.69972610      -2.33231568       3.57180429    
 H   -7.02817917      -1.63573551       3.59213710    
 H   -7.39121628      -3.04664326       4.14832449    
 O   -3.68207645       2.91803813       1.46790743    
 H   -3.24178243       3.62581849       1.93324757    
 H   -3.30164385       2.08884311       1.80875027    
 O   -6.53351259       3.17777896       1.84360075    
 H   -5.58233738       3.08483291       1.71738517    
 H   -6.95029402       2.83695889       1.03950071    
 O   -7.67367983       1.83605063       3.89421487    
 H   -7.29699278       2.38610554       3.18397975    
 H   -7.90419865       2.42427731       4.60789728    
 O   -5.87058210     -0.249283895       3.39603949    
 H   -6.40439081      0.491275340       3.70576191    
 H   -5.83529091     -0.185067803       2.42777085    
 O   -3.09876895     -0.216477454     -0.401487589    
 H   -3.13923621     -0.997895122     -0.966032922    
 H   -3.15774727      0.575748980     -0.948837817    
 O   -7.51055527       1.69735575     -0.302496791    
 H   -6.83564377       1.09583116       5.15338704E-02
 H   -8.33909035       1.20543993     -0.263111383    
 O   -3.60656428      -2.62359476      -1.69956791    
 H   -4.38734388      -2.22897410      -2.13248610    
 H   -3.18029809      -3.17832685      -2.34638095    
 O   -7.55458498      -1.92322481     -0.651250541    
 H   -8.34971523      -1.41449726     -0.447775394    
 H   -7.50450468      -2.67311573      -4.21997309E-02
          69
 Energy    -248.92252564296967     
  O     -3.00754474      3.11793916      3.93662558
  H     -2.80656129      3.36178926      3.02307354
  H     -4.14598685     -2.90132711      2.18526593
  O      0.09327288      4.80930926      1.87602591
  H     -3.95094016      3.30185161      4.05709966
  H     -2.43927655      2.77121456      0.14023039
  O     -0.80075480     -0.52888089      2.74094469
  H      0.44720512      3.93914542      1.61469707
  H     -3.10388730      1.38303198      0.16676464
  O     -4.13429274     -1.00959123     -1.82683046
  H      0.76491448      5.45189485      1.66424609
  H     -5.83846698      5.64193330      0.94921816
  O     -1.76465325     -2.02181441     -0.98932626
  H     -0.14118657     -0.05274761      3.26039646
  H     -5.53469462      4.14586272      0.70586232
  O     -4.31206524      0.70183170      1.23879193
  H     -0.67121671     -0.25171844      1.82284349
  H      1.18262798      1.90134286      2.21804408
  O     -5.69502133      3.56202343      3.77235596
  H     -4.29848002     -0.10714383     -2.11819916
  H      0.68386866      1.61074855      0.79323427
  O     -7.73928272      0.58198767      0.88051880
  H     -4.82696875     -1.21805036     -1.18254365
  H     -3.32503146      4.65165933      1.30346695
  O     -3.20618919      0.37949863      3.78691364
  H     -1.49874317     -2.70150437     -1.60321465
  H     -1.73934437      4.59694416      1.48281738
  O     -4.37559517      1.83892567     -2.36434127
  H     -2.60185075     -1.65494768     -1.32596511
  H     -4.76718522     -0.44930467      4.17646101
  O     -5.90870683     -1.38935401      0.26889340
  H     -4.79416077     -0.08585876      0.95807970
  H     -5.55165526     -1.64435373      3.60908615
  O     -5.08936112     -3.03642422      2.38875162
  H     -3.99814417      0.56023427      2.13912099
  H     -0.12870583      4.09673388      3.69943819
  O     -2.51883836      1.94944140     -0.36383725
  H     -5.69647265      4.04570585      2.93896095
  H     -1.26593634      3.40377870      4.46911863
  O     -5.26383516      4.92865442      1.21600156
  H     -6.27490477      2.79819013      3.66154425
  H      0.54973545      2.00941694      4.25166813
  O      1.05040936      2.30700924      1.35175790
  H     -7.34621032      1.33939148      0.43142849
  H      1.71761723      1.07537612      4.64751773
  O     -2.54331169      4.08737730      1.32038816
  H     -7.68677298      0.79155068      1.82281503
  H     -6.75338345      0.46324004      3.82356783
  O     -5.65245405     -0.83962970      4.12962417
  H     -3.09785319      1.32657552      3.95095405
  H     -8.03897877      1.19421206      4.26813192
  O     -0.30525390      3.51997193      4.45161032
  H     -2.35435049      0.03716681      3.48691447
  H     -1.88516890     -2.01492578      2.20845074
  O      1.03065159      1.20105700      3.99860182
  H     -4.11546127      2.22517649     -3.19679944
  H     -2.26848463     -2.47259116      0.79205028
  O     -7.34086321      1.21264084      3.61765967
  H     -3.61949806      1.93838325     -1.75898456
  H     -0.71905467     -0.57934978     -0.36056991
  O     -2.49553131     -2.58319089      1.72338255
  H     -6.66846214     -0.82533177      0.47904606
  H     -1.10815715      0.89432082     -0.15454304
  O     -0.42624002      0.23899600      0.05878916
  H     -5.78869368     -2.03278079      0.97803332
  H     -5.39536466      1.97636184      0.52201207
  O     -5.88646498      2.57764308     -0.06139529
  H     -5.19523289     -3.96171447      2.59283960
  H     -5.55378240      2.40300801     -0.95012023
          69
 Energy    -248.92242234651459     
  O     13.22607890     11.92265639    -10.00729646
  H     12.33547543     11.66403014     -9.73897881
  H     16.15706792     13.59432611    -17.97800594
  O     11.54806620     11.73549698    -15.06536807
  H     13.13228118     12.73495456    -10.52539583
  H     13.81177511     13.67658749    -12.20604060
  O     13.83862322      9.70313709    -11.60219808
  H     11.43073077     12.48547389    -14.46171075
  H     13.82817315     14.85630406    -11.21228896
  O     18.71179050     13.57772478    -13.35130922
  H     11.94433650     12.08284844    -15.87342568
  H     12.43714186     14.54005183    -16.12741236
  O     10.59216673     10.99977136     -9.61581350
  H     14.76942783      9.45635207    -11.53956849
  H     11.86298079     14.88627131    -14.73851956
  O     11.12387922      9.00664333    -11.37613290
  H     13.70251859     10.47984499    -11.04009439
  H     15.02913553     13.48436470    -13.91233639
  O     13.85948218     10.40676681    -14.27648334
  H     18.12476322     14.33887374    -13.18779947
  H     14.56124647     11.99637760    -13.71695280
  O     15.40356857     15.61514911    -10.46906001
  H     19.60184808     13.91763106    -13.37667799
  H     17.88833173     12.63668072    -14.83679783
  O      9.86462251      9.98712347    -13.75387292
  H     10.73444942     10.22021153    -10.18349962
  H     17.19094024     11.30065805    -15.21034003
  O     15.12688159     14.99242739    -14.96099907
  H     10.10728332     10.69999020     -8.85149757
  H     13.84765031     13.01127680    -17.21344851
  O     11.12242321     13.86410420    -13.34040920
  H     10.72605558      9.22799411    -12.22727441
  H     12.62966977     12.91025233    -18.15332667
  O     15.66117635     13.32979010    -17.20731103
  H     12.08185565      9.07280880    -11.49097151
  H     17.26917398      8.87643594    -11.12411045
  O     13.24703447     14.20071302    -11.61378120
  H     13.01434202     10.76886458    -14.56766428
  H     16.86500421     10.27851641    -11.63917161
  O     12.43575520     15.21874808    -15.44292686
  H     13.75015384     10.10016759    -13.36349636
  H     16.70365619      9.45168581    -13.65968809
  O     14.87673109     12.78664658    -13.26170754
  H     15.58343759     14.76029924    -10.03818921
  H     15.59706836      9.86601888    -14.63293666
  O     17.40396655     12.18753535    -15.53701786
  H     15.47600837     16.28444347     -9.79363407
  H     17.78279223     12.47483271    -12.16957205
  O     12.87968954     12.95135779    -17.23268045
  H     10.42837926     10.55111988    -14.30782550
  H     16.26030974     12.28283395    -12.25278941
  O     16.63756082      9.33302845    -11.67381027
  H      9.25098842      9.55333710    -14.34199919
  H      9.74943930     11.91806956    -11.10243630
  O     16.55419870      9.73816729    -14.56666254
  H     15.40432072     14.57882189    -15.78616066
  H      9.40135822     11.43052083    -12.51733597
  O     17.04350251     12.03078596    -11.73782592
  H     14.18905893     15.21549527    -15.06214142
  H     16.29985422     15.53378006    -13.63163293
  O      9.41000199     12.21467850    -11.95537246
  H     10.42079070     13.41412892    -12.84796441
  H     16.43374237     15.64410523    -12.09115263
  O     16.94091192     15.57348365    -12.90817676
  H     11.81476662     14.07403895    -12.69784134
  H     14.93960400     12.62175960     -9.46419296
  O     15.77523690     13.10587853     -9.46494131
  H     16.28949119     12.86078258    -16.62647816
  H     16.32225568     12.69239040    -10.14664913
          69
 Energy    -248.92229500456779     
  O     -2.58049661      4.85165589      3.78528962
  H     -2.97866461      5.71704876      3.82434596
  H     -1.33248040     -0.23277975      2.46737460
  O     -2.23896798      2.87179103      1.83568094
  H     -1.61416535      4.98432765      3.77735775
  H     -3.87567742     -0.05089278      0.31377574
  O     -2.11592527      3.20092989      6.11745950
  H     -2.49702879      3.57114955      2.44926901
  H     -3.77655710     -0.44065998      1.78669264
  O      1.90927889     -2.39196941      0.63299934
  H     -1.27790366      2.93122363      1.73224010
  H     -0.80384816      0.56610159      5.54529386
  O      1.40519166      1.84739287     -0.66980703
  H     -2.41194761      3.74590430      5.37915621
  H     -2.03864783      1.41339323      5.91727664
  O     -0.80646827      0.08242157     -0.62295798
  H     -1.16954093      3.37252959      6.20443294
  H      0.96333952     -2.56197208      3.99360371
  O     -2.86472082      0.45729912      3.13174296
  H      1.58035585     -2.64972233      1.50432241
  H     -0.19004208     -3.28657015      3.25342959
  O      3.22997920     -0.01038622      0.62831908
  H      1.18067471     -2.54882613      0.02033408
  H     -0.49740077     -2.87600561     -1.93286690
  O     -1.49498750     -2.26842581      5.89119552
  H      0.65287568      1.25783625     -0.81399465
  H     -0.57737598     -1.63203181     -1.01788043
  O     -2.45917053     -3.08544657      0.98145641
  H      2.10745701      1.27863105     -0.33180175
  H      0.93267026      2.43708498      5.92455818
  O     -1.94134387     -3.81635537      3.50652643
  H     -1.62306544      0.59037671     -0.69775160
  H      1.33934841      3.64370204      6.79555477
  O     -0.47371617     -0.43203703      2.07281292
  H     -0.67111381     -0.09069624      0.32275228
  H      0.94130303      0.46335996      2.55572424
  O     -4.00797142     -0.79130630      0.91445452
  H     -2.70359878      1.33729659      2.76397567
  H      2.42325523      0.66554983      2.17613642
  O     -1.76318336      0.52392681      5.65067380
  H     -2.58275260      0.47518763      4.05595397
  H      1.61689780     -2.63217486      6.48735893
  O      0.63258020     -2.79599209      3.11826743
  H      4.14241538     -0.16359225      0.39804930
  H      0.23028307     -2.20053948      5.94596556
  O     -0.41969300     -2.59181210     -1.02540241
  H      2.78533340     -0.87623100      0.59329000
  H      1.23283005     -0.21524034      5.69170626
  O      0.76683409      3.38123681      6.07835955
  H     -1.81376936     -2.70810791      5.09361256
  H      1.40435391      0.81064169      4.54436569
  O      1.75671661      0.91831675      2.82602591
  H     -1.79548246     -1.35000965      5.86019390
  H      0.38074549      4.42051836      2.95885339
  O      1.19232725     -2.08277692      5.83400350
  H     -3.05048004     -2.32373667      0.88574627
  H      0.45503923      4.43532659      4.50740715
  O      1.08044665      0.70691826      5.45277012
  H     -1.79047818     -3.00732886      0.29389380
  H     -2.89136095      2.14165430      0.32228798
  O      0.12243711      4.92299743      3.74370562
  H     -2.30494375     -4.68687905      3.64627824
  H     -3.59967358      2.23873701     -1.04661378
  O     -3.14857694      1.63255951     -0.46440462
  H     -2.18767336     -3.55879802      2.59911302
  H      0.81192516      2.88622183      0.72757889
  O      0.53792373      3.11220233      1.62746502
  H     -0.18102943     -1.29595123      2.38897018
  H      0.98534951      2.45772007      2.18065783
          69
 Energy    -248.92227086418856     
  O     12.36530355      9.48318947    -14.53337885
  H     12.47472412     10.42376636    -14.33978328
  H     15.45781007      5.81783694    -16.54584108
  O     16.06176069      6.22989324    -13.47155750
  H     12.91005492      9.32947496    -15.31559229
  H     19.37897559      7.75009669    -15.07546313
  O     17.64831309     10.04822290    -11.44456883
  H     15.27663015      6.14726080    -12.91582975
  H     20.82108007      7.57489958    -14.54112798
  O     17.57829568     11.69534242    -16.07176388
  H     16.80095323      6.52720196    -12.92339533
  H     15.70924747     11.86074202    -16.17484524
  O     13.64653477      6.36931589    -16.99306684
  H     17.43782795      9.93937452    -10.50921853
  H     14.51844159     10.97346259    -16.60964586
  O     14.18456407      8.62066039     -9.22099464
  H     16.83519167     10.35676703    -11.87345011
  H     15.92569172      7.86385540    -14.23656619
  O     13.70947923      6.26140003    -12.01263507
  H     18.02143008     11.29207370    -15.30591972
  H     16.87763881      8.56993243    -15.20964881
  O     15.40362572     10.66153931    -12.86682938
  H     18.12072008     12.43626400    -16.33289413
  H     17.67635562      6.76859437    -10.43379091
  O     17.00237155      9.57088247    -17.89512030
  H     13.12040807      5.82950141    -17.57738531
  H     17.19182912      7.58350304     -9.22382186
  O     14.66506406      5.79242238     -9.41843873
  H     13.20810904      6.35036674    -16.12340542
  H     12.20882176      7.51587872    -14.47004400
  O     18.18461543      7.66289629    -16.31967320
  H     13.75476665      8.83990963    -10.05697553
  H     12.80252238      6.31391673    -13.70047272
  O     16.33687576      5.64556522    -16.19069615
  H     14.21708190      7.65621719     -9.18586656
  H     18.57692622     10.50829009    -13.06305106
  O     19.95309108      7.88707488    -14.30015654
  H     13.94580499      5.94962507    -11.13031391
  H     19.37604375      9.70700634    -14.10122445
  O     14.74900509     11.85188378    -16.28134759
  H     13.60079346      7.22151217    -11.93795159
  H     18.89203958      7.42986184    -12.80706506
  O     16.07727758      8.70566380    -14.68869293
  H     15.66120412     10.05472165    -13.57951885
  H     17.99576530      8.30277592    -11.90353733
  O     17.22369110      6.68855390     -9.58424487
  H     14.74537237     11.27024807    -13.22095772
  H     15.81351836      9.21654893     -8.94749190
  O     12.45666693      6.58808813    -14.55898332
  H     17.21880178     10.34857730    -17.36260307
  H     16.85145726      9.85215061     -7.99274983
  O     18.89849688     10.53525221    -13.97251536
  H     16.05874924      9.42291930    -17.77991024
  H     14.16695156      9.55600629    -12.09160387
  O     18.21009279      7.38492315    -12.12627689
  H     14.59830101      5.08791080     -8.77971568
  H     12.84962247      9.11440304    -12.71561171
  O     16.75862534      9.42585610     -8.84064318
  H     15.60874497      6.02598039     -9.48258647
  H     12.90437716     12.99808734    -13.93241010
  O     13.38295868      9.01632883    -11.91801417
  H     17.60384632      6.88697935    -16.35865390
  H     13.77824133     12.15376116    -14.89709117
  O     13.28381290     12.13280996    -14.05660417
  H     17.90980804      8.27003381    -17.01997604
  H     14.02209628      8.19593873    -16.99423525
  O     14.27873977      9.08241809    -16.70972465
  H     16.23862509      5.66652626    -15.22750037
  H     14.91139179      8.95540940    -15.98268518
          69
 Energy    -248.92152011588348     
  O     -4.26693420      0.58341552      2.45998874
  H     -3.40127656      0.95421836      2.21454917
  H     -1.35833367     -5.01072056      1.01756028
  O     -2.97201329     -2.24528326      7.21644977
  H     -4.91852118      1.24185970      2.23216776
  H      1.87893803     -0.05266898      3.17243759
  O      0.50313752      1.35843213      3.37599085
  H     -3.30838632     -1.56791014      6.61578280
  H      2.41376664     -1.26647821      2.37082954
  O      2.32322509     -2.60283676      5.29344125
  H     -2.01542466     -2.27459027      7.08153298
  H     -0.94580898     -1.21758479      1.19646526
  O     -3.80014684     -4.67886874      6.29875553
  H      0.69206948      2.07947919      3.97261510
  H      0.31827000     -1.97630200      1.66977430
  O     -0.31843459     -2.61543862      6.24602823
  H     -0.03312227      0.71735773      3.87545653
  H     -3.07256072     -3.46930776      2.15691437
  O      1.26529118     -4.89132739      3.93806517
  H      2.37703950     -1.94777374      4.57547311
  H     -1.56847039     -3.19073588      2.12860689
  O     -4.96696386     -3.02348004      4.23247247
  H      3.16860129     -2.59417625      5.73487460
  H      1.63574576     -2.10482970     -0.00264867
  O     -1.84211272      1.52264313      1.66219490
  H     -3.56091580     -3.83372205      6.72011271
  H      1.99069757     -3.27129535      0.97193029
  O      1.87487415     -5.06832044      1.32912788
  H     -4.24335274     -5.20107795      6.96181124
  H     -4.81581227     -2.56463976      2.52968865
  O     -1.23498018     -3.54168724     -1.68161713
  H     -0.68278531     -3.37099843      5.75916504
  H     -4.38141202     -1.21857373      1.91900811
  O     -0.80003967     -5.36878729      0.31463917
  H      0.63308468     -2.61055123      6.08298303
  H      1.11817943     -1.60467453     -2.45826558
  O      2.44493249     -0.83003685      3.23296925
  H      1.66572764     -4.15882174      4.42140622
  H      0.06216148     -2.43119645     -1.67972828
  O     -0.58614706     -1.74726684      1.91849032
  H      0.36275471     -4.98313700      4.26887298
  H     -0.70195035     -1.30766817      5.08502227
  O     -2.21795157     -3.89675784      2.27058911
  H     -4.68750065     -3.71535528      4.84033337
  H     -0.86520446     -1.08872269      3.54659792
  O      1.93510691     -2.30870829      0.89288537
  H     -4.55394389     -2.21137648      4.55924253
  H     -2.18635459     -0.85376948     -0.62827853
  O     -4.47097087     -2.15980420      1.71847475
  H     -1.65307654      1.02402870      0.85466999
  H     -0.66008378     -0.66499371     -0.86363372
  O      0.72793840     -1.72186087     -1.59651915
  H     -1.01767607      1.55881484      2.15912727
  H     -3.94096257     -2.18989505      0.02273026
  O     -0.97985276     -0.67072786      4.41392340
  H      2.49562032     -5.77887961      1.19108781
  H     -4.34374267     -2.03129228     -1.45757352
  O     -1.41770244     -0.32820140     -0.36861730
  H      1.66915360     -5.05534159      2.28201880
  H     -4.05509108     -0.08556667      4.25325957
  O     -3.58890061     -2.06863008     -0.87480750
  H     -1.08275182     -4.26341748     -1.05199047
  H     -2.73102990     -0.60536589      4.80510783
  O     -3.68402440     -0.59689839      4.98130773
  H     -2.09302020     -3.16636038     -1.45759006
  H     -2.21214060     -4.88378659      5.32282568
  O     -1.42547249     -4.71868523      4.78899269
  H      0.10455779     -5.33906838      0.64709633
  H     -1.74426429     -4.46752727      3.90925747
          69
 Ord_Energy   -248.920761    
 O  -0.592264652      -3.65196802E-02  0.429275990    
 H   -1.37344027     -0.593418896      0.514264584    
 H    3.90546694E-02 -0.560512006      -8.88607427E-02
 O  -0.563801408       2.15678000      -3.91715264    
 H  -0.925540209       2.24239111      -3.02487326    
 H  -0.105693310       2.97198296      -4.15992546    
 O    4.60795927      -1.15859735      -3.32037425    
 H    3.83441043      -1.41359138      -3.83861423    
 H    4.82246637     -0.261040956      -3.60145593    
 O    3.83746624      -1.27625334     -0.650363505    
 H    2.90391803      -1.50439084     -0.743672669    
 H    4.20368576      -1.28973997      -1.54695737    
 O   -3.07337356     -0.128666922      -2.20358348    
 H   -3.04395866     -0.687742949      -1.41691756    
 H   -2.67432785      0.712336779      -1.95209622    
 O    3.55586123       2.44242024      -1.87177968    
 H    3.78159666       2.02463841      -1.03079176    
 H    4.20341730       2.17493391      -2.53732657    
 O    1.08889914      -1.40435481      -1.21344185    
 H    1.28744841     -0.601698399      -1.72448182    
 H   0.661463261      -2.00187588      -1.83656204    
 O    1.15230102E-02   4.08925104       1.55010903E-02
 H   0.495099694       3.37664247      0.473365724    
 H  -0.245553210       4.71883583      0.683776379    
 O   -2.38627481      -1.56520534      -4.39384651    
 H   -2.65454912      -1.01159513      -3.63883805    
 H   -3.16981506      -2.02097988      -4.69064903    
 O    1.80196118       4.56354666      -2.14336967    
 H    1.18115580       4.48277617      -1.41014707    
 H    2.48591876       3.89406300      -1.99539006    
 O    5.03486681       1.59003675      -4.07845592    
 H    4.30670404       1.82046545      -4.68399096    
 H    5.84032297       1.88743007      -4.49303484    
 O   -1.45217204       2.05080080      -1.28203011    
 H   -1.09726477       2.85183263     -0.877339900    
 H   -1.12898338       1.32217944     -0.732592285    
 O   -7.01698512E-02  -2.79633904      -3.39853263    
 H  -0.845463276      -2.37161160      -3.79145503    
 H   0.698900104      -2.46294093      -3.88044763    
 O    1.51837754      0.113922961      -6.92500877    
 H    1.50256789      -6.41126633E-02  -7.86123991    
 H   0.590130210      0.191774964      -6.63682699    
 O   -1.40146828      -3.89529729      -1.23101044    
 H  -0.894882500      -4.62655354     -0.883858919    
 H  -0.948370576      -3.62680173      -2.04548025    
 O    3.89693069       1.11101437      0.563587070    
 H    4.58427811       1.13228464       1.22369635    
 H    3.91080189      0.218202367      0.171792597    
 O    2.06078815      -1.39523935      -4.59505558    
 H    1.95481527      -1.02978349      -5.48122835    
 H    1.94099474     -0.643987358      -3.99287748    
 O  -0.976827860      0.345450252      -5.95112514    
 H  -0.906754076       1.03897381      -5.27832460    
 H   -1.48991966     -0.357342631      -5.53739405    
 O    1.56817317      0.709820509      -2.83666015    
 H    2.22787762       1.33684003      -2.51783371    
 H   0.842248678       1.20946121      -3.22898912    
 O    1.10153401       4.25144625      -4.70598125    
 H   0.958420873       5.08946800      -5.13690758    
 H    1.38008082       4.44609261      -3.79170084    
 O    1.23045981       1.98210478       1.18200314    
 H    2.12329555       1.65817463       1.01657486    
 H   0.631486237       1.23047948       1.07930613    
 O    2.94889712       2.24967337      -5.67376328    
 H    2.31734538       2.92698622      -5.40542889    
 H    2.45092678       1.56187856      -6.13249588    
 O   -2.74254608      -1.85597563       4.76281308E-02
 H   -3.43933344      -2.23507428      0.577326536    
 H   -2.28150654      -2.59737730     -0.380522400    
          69
 Energy    -248.92059878845407     
  O     -7.19536319     -2.01480847      6.18711368
  H     -7.32231671     -2.58576524      5.42009245
  H     -4.58368240      1.35918325      1.03545290
  O     -9.38180956     -1.48915736      3.02054628
  H     -6.29297411     -1.67551543      6.13919230
  H     -7.95352654     -0.38816225      3.36127147
  O     -7.69239973     -3.57813785      3.84363504
  H     -9.98161581     -1.13580781      3.69494965
  H     -7.40264619      0.69507832      4.34634421
  O     -6.08646689      1.38310768      0.00495075
  H     -8.98151577     -2.30354770      3.34557925
  H     -4.51007256     -0.88305699      4.93593927
  O     -5.15331970      1.94436049      5.89461725
  H     -7.09818718     -3.32876612      3.11262734
  H     -3.75450668     -1.25685790      6.23254890
  O     -5.43465075      5.82020799      0.31647412
  H     -7.76884425     -4.52833163      3.82406477
  H     -2.44846147      3.94800093      0.88235369
  O     -9.12156801     -0.41002096      7.16646766
  H     -6.84013635      1.72777780      0.49732227
  H     -1.27377637      3.37123484      0.05390054
  O     -4.70260835     -0.67909305      3.19421218
  H     -6.30627172      0.47358315     -0.23471916
  H     -9.50733148      2.42803200      3.16462725
  O     -4.69113480      3.60855970     -1.09443396
  H     -6.11530204      1.98318025      5.98480371
  H    -10.46283518      3.34878233      3.94382538
  O    -10.82367967     -0.13548632      4.90002123
  H     -4.91551694      1.01812309      6.00993889
  H     -5.44943033     -2.10339462      2.26784428
  O     -6.99904630     -1.24705675     -0.45109997
  H     -5.21245145      5.06573702     -0.25773122
  H     -6.37276557     -2.27725383      1.04562848
  O     -3.80127500      1.36315628      1.60612867
  H     -5.61926902      6.55820971     -0.25779377
  H     -9.45229458     -0.74836764      1.36719579
  O     -7.25498612      0.26771673      3.49286486
  H     -8.44468285     -1.03689569      6.85074396
  H     -9.15393359      0.66620684      0.82889738
  O     -4.58250177     -0.91344987      5.90560315
  H     -9.29314193     -0.62313501      8.07933957
  H     -8.36019768      1.06661049      6.37905083
  O     -2.19049404      3.23186506      0.27313150
  H     -5.60493764     -0.32804814      3.27994503
  H     -8.65014814      2.14256417      5.29493170
  O    -10.00517591      2.51189422      3.99115772
  H     -4.21316138     -0.04336426      2.65599530
  H     -3.60410602      4.59268861      2.66005807
  O     -6.07396116     -2.71332377      1.85194160
  H     -5.20862243      2.82773891     -0.85932558
  H     -3.91151449      5.51988865      1.46662037
  O     -9.30003712     -0.24569793      0.55243121
  H     -3.79165404      3.43668230     -0.78817930
  H     -4.32378006      2.57360371      2.94193365
  O     -7.94553722      1.72417905      5.80399614
  H    -10.68596330      0.77788406      4.62160894
  H     -4.72807856      2.86761039      4.41495021
  O     -3.18745676      5.10947835      1.95569084
  H    -10.35648072     -0.23836142      5.73934572
  H     -7.83111099      1.48414173      2.34209361
  O     -4.59628433      3.27480480      3.54751608
  H     -7.12852262     -1.65704416     -1.30269673
  H     -7.81710680      2.99472203      1.91936485
  O     -8.26305152      2.14241572      1.77322871
  H     -7.87411465     -0.94149088     -0.14952841
  H     -6.10221171      4.01404503      2.80770934
  O     -6.84534233      4.34079810      2.27995477
  H     -3.12938115      1.88724957      1.15387101
  H     -6.46509894      4.93222537      1.61993582
          69
 Energy    -248.92010462965129     
  O     11.62203107     11.43089875    -11.51749854
  H     11.95090606     12.29448446    -11.79630526
  H     13.56390942      6.88415339    -13.65840860
  O     12.84571565      9.02117102    -17.40469117
  H     12.04604006     11.22183759    -10.67279661
  H     16.29085571      9.25549197    -11.82810485
  O      9.43153765      9.71436026    -14.86672269
  H     13.70172900      8.92547898    -16.94784462
  H     15.24038501      8.33195071    -11.16816073
  O      8.50208847      9.60366368     -9.49844857
  H     13.02228684      8.93475899    -18.33717807
  H     11.03194323      7.22862366     -9.28598094
  O     12.93845020     13.76499177    -12.29495136
  H     10.18735146     10.24636723    -15.16782039
  H     10.88324065      8.11551240     -8.03845377
  O     15.15794145      8.81342794    -16.03336617
  H      8.67614163     10.00048130    -15.37524100
  H     14.23583363     12.93578186    -11.13547582
  O     13.54320229     13.03151788    -14.83162530
  H      7.99160065      8.80009502     -9.41694930
  H     14.23363927     11.92113411     -9.96990216
  O     16.80851741     11.08396570    -11.85379325
  H      8.77527803      9.64981735    -10.42805308
  H     11.68747540      7.93602323    -16.34431032
  O     13.65672685      6.61704144     -7.81229296
  H     12.74719707     14.69817659    -12.25707911
  H     10.45742058      8.12395197    -15.43341160
  O     11.78001680     10.92578809    -15.64577531
  H     13.16392390     13.56161124    -13.21995501
  H     13.94349752      7.70135396     -9.21941982
  O     13.01455535      9.90573417    -13.40024071
  H     15.38411609      9.61657380    -15.54532286
  H     13.00754296      8.07141770    -10.40023742
  O     12.65269279      7.10794172    -13.43432514
  H     15.27795065      8.08635812    -15.41021228
  H     11.76292606      7.26652760    -11.89546947
  O     15.92995619      8.36241630    -11.84589327
  H     12.86282289     12.50072354    -15.26271379
  H     10.70938187      8.28477990    -11.40053257
  O     11.01337314      7.20211701     -8.31881282
  H     14.31013177     12.44716148    -14.74424830
  H     15.95943914      6.07839604    -13.98148189
  O     14.81199507     12.40199495    -10.57558452
  H     16.11964560     11.56541763    -11.36180202
  H     15.63825255      7.38844077    -13.22162390
  O     11.14083506      7.49155059    -15.68327683
  H     17.64745814     11.41120879    -11.54107178
  H      9.46403924      9.63499258    -12.98185933
  O     13.85353302      8.28808295     -9.98496121
  H     13.79535456      5.73070063     -7.48967386
  H     10.24778616     10.38332280    -11.86765566
  O     11.34897145      7.62876443    -11.09792114
  H     12.69349160      6.72968753     -7.88558020
  H      9.83246638      9.95727806     -8.38048285
  O     15.39026755      6.84293602    -13.99170036
  H     12.21918993     10.58056902    -14.85099038
  H     10.27243517     10.35953073     -6.95486959
  O      9.60838536      9.67120178    -12.02986282
  H     12.11669302     10.39505646    -16.37999396
  H     16.01188182     11.08233785    -13.55033635
  O     10.60018998     10.02823528     -7.78764768
  H     12.57265283     10.34364491    -12.66285285
  H     14.60270058     10.56773972    -13.91539422
  O     15.39262845     10.99643421    -14.28420978
  H     12.88535511      8.95263532    -13.32731628
  H     13.35055378      9.91742680     -9.40825710
  O     12.94000538     10.76784452     -9.18976807
  H     12.12934308      7.11990341    -14.25009202
  H     12.19432598     10.57435937     -8.60837443
          69
 Energy    -248.92005371806863     
  O     16.85026268      8.26718997    -15.46595474
  H     17.58669808      8.47876999    -14.87192669
  H     15.26024094     12.32012364     -9.76994885
  O     14.17366983     11.17627284    -15.11407051
  H     16.03709111      8.31099338    -14.95332034
  H     17.96018631     16.27908335    -14.12098677
  O     19.56586582     12.82210056    -12.01742185
  H     13.97660090     10.29418594    -14.78141788
  H     18.54150815     17.67683474    -13.82527285
  O     16.05945156      9.55309938    -11.89773368
  H     15.05759062     11.36633643    -14.76344412
  H     19.64077221     11.54781492    -15.11440949
  O     18.67630666     11.14997565     -9.98099861
  H     19.77609255     12.29987941    -12.80329890
  H     20.93358208     12.22447047    -14.61448429
  O     14.91445271     11.28218421    -17.83043934
  H     20.04842317     13.65765065    -12.09892120
  H     18.70126859      9.52653373    -10.58326721
  O     17.70912206     14.16851928    -16.91022204
  H     16.86969884      9.12836527    -11.58799777
  H     18.94665634      8.00563541    -10.42283247
  O     20.80853092     15.15452233    -12.69795471
  H     15.90243318     10.31648919    -11.32667444
  H     15.07460437     12.97991021    -18.07436053
  O     18.22284036     11.56019881    -16.23450938
  H     17.76186318     11.44481833     -9.90539982
  H     14.73438943     14.26073018    -18.87498727
  O     14.42783724      8.58989662    -13.87947808
  H     19.10058280     11.75464363    -10.60753616
  H     19.28553291     15.05879751    -16.62483334
  O     17.14329855      9.51400278    -17.81778113
  H     14.56944021     11.17114372    -16.93390104
  H     19.71429542     16.06761919    -15.54619396
  O     15.90146568     11.91619057    -10.34888746
  H     15.63741440     10.65040446    -17.92143528
  H     17.09329659     14.78576790    -15.29903727
  O     18.78766732     16.77053246    -13.99499607
  H     17.92799210     13.24062860    -16.73744236
  H     15.69912130     14.87260800    -14.66800354
  O     20.29132560     11.53684826    -14.39680342
  H     16.88531698     14.17466459    -17.41296605
  H     21.23785473     14.39506557    -15.54726346
  O     18.57405141      8.65890937    -11.00803049
  H     21.27967198     14.77470549    -13.45090202
  H     22.70898586     13.93351144    -15.42469450
  O     15.16594796     13.95072431    -18.08376759
  H     20.15632673     15.76150586    -13.06865426
  H     18.95761996      8.85821698    -12.85440734
  O     20.06061377     15.48426582    -16.23176199
  H     17.95954867     10.87311913    -16.85772412
  H     19.52068208      9.79057630    -13.95204195
  O     16.62564796     15.10961100    -14.51559856
  H     17.64997546     11.47088001    -15.45612935
  H     16.68762113     10.68927486    -13.38800199
  O     21.84320791     13.82465085    -15.03998486
  H     14.93328523      8.88597939    -13.10323579
  H     16.74541151     12.23631279    -13.41163634
  O     18.94596673      9.03097198    -13.80305362
  H     13.89700480      7.85045485    -13.59383096
  H     14.00026517     13.14382619    -15.20026609
  O     16.67157267     11.45511569    -13.97316376
  H     17.49945862      8.91675940    -18.46917889
  H     14.43101434     14.12121903    -16.30185046
  O     14.22425784     14.06818389    -15.35949025
  H     17.01541351      8.99704013    -17.00015433
  H     16.82985149     14.22953767    -12.94542580
  O     16.94644956     13.60342903    -12.21927040
  H     16.17878416     12.60188810    -10.98095440
  H     17.89426224     13.41540096    -12.13211142
          69
 Energy    -248.91883867671726     
  O     19.14423601      9.99023560    -14.31063755
  H     19.67869970      9.23160570    -14.03225405
  H     20.68035891      6.90233620    -13.89042494
  O     20.58946804      7.25686028    -10.66935587
  H     18.75449759      9.74463788    -15.15792271
  H     18.95223168      3.40752749    -13.30626316
  O     15.69609671      8.61726589    -10.49038109
  H     20.65854888      6.30019478    -10.55152799
  H     20.15034399      4.24841845    -13.81822329
  O     13.06723335     10.10480340    -13.55696419
  H     19.79377297      7.53238920    -10.20172908
  H     14.91084920      8.24609149    -14.83630173
  O     17.59514585      9.07368532    -16.59141011
  H     14.85483991      9.08848578    -10.45368338
  H     15.91050553      9.21549333    -14.14987951
  O     11.43440553      7.79669498    -14.04875166
  H     16.16346676      8.96416298    -11.26808978
  H     17.83676776      6.08630080    -11.98426073
  O     17.87824929      5.23040849    -10.28312910
  H     13.84645102      9.95393809    -14.10486873
  H     18.69374515      6.88879243    -13.01804540
  O     14.40785018      6.32693772    -11.68871514
  H     12.43217557      9.42578231    -13.81819153
  H     14.18433204      6.56072025    -13.44728876
  O     20.51950591      4.40200699    -10.57343842
  H     16.76104271      9.09445233    -16.09388894
  H     13.09844951      6.96827455    -14.46549693
  O     15.73193453      3.94313702    -11.42923114
  H     17.45532909      9.60100036    -17.37453677
  H     17.18526112      8.12949063     -9.60052672
  O     17.15809837      2.97208160    -13.77069140
  H     11.48459907      7.64027088    -13.08796452
  H     18.07602590      8.18026719     -8.34352319
  O     20.32769021      7.63446072    -13.37172334
  H     10.53059204      7.64004132    -14.30707818
  H     21.42312998      5.28403841    -15.76085925
  O     19.84153480      3.70628871    -13.08159917
  H     17.89915587      6.05226484     -9.77625192
  H     19.96684457      5.78967860    -15.62654433
  O     15.36755999      9.09203795    -14.94377709
  H     18.77098230      4.86164179    -10.27258732
  H     12.90043222     10.77005266    -10.45575339
  O     17.79701030      6.59612818    -12.80146003
  H     14.81657943      5.45791805    -11.56268108
  H     13.21196714     10.07763079    -11.80130106
  O     14.02085238      6.69758889    -14.39447175
  H     14.93796018      6.99020425    -11.23295280
  H     16.88947776      5.82727197    -14.11565957
  O     18.01334277      7.79764095     -9.21564900
  H     20.32809294      4.11554868    -11.48584979
  H     15.52260977      5.72721753    -14.84542550
  O     20.73561808      5.46198292    -15.12473251
  H     21.08980707      3.74215639    -10.18963172
  H     18.28623567      7.30787684    -16.52136852
  O     13.23707032      9.96204961    -10.83435420
  H     16.14131166      3.49718823    -12.17816667
  H     17.74762554      5.96539311    -15.99745427
  O     16.42152559      5.37634515    -14.83854693
  H     16.46769607      4.28516364    -10.89973287
  H     12.19054036      8.32744947    -11.04674270
  O     18.52723220      6.38362689    -16.38674576
  H     16.85025334      3.76378215    -14.24410807
  H     12.67414223      6.91802552    -11.40076304
  O     11.88424500      7.47806319    -11.38638506
  H     16.88930746      2.21928747    -14.29184224
  H     17.77620212      9.68345968    -13.18655761
  O     17.03387231      9.23514304    -12.75647603
  H     20.58386180      7.53247216    -12.44240005
  H     17.25120649      8.28969494    -12.76052676
          69
 Energy    -248.91875366303526     
  O     20.97354069     10.45436023    -16.43954964
  H     21.41647411     11.29615172    -16.22817728
  H     21.77377018     17.77246392    -17.41389852
  O     16.33089663     18.10217267    -15.70777041
  H     21.65842531      9.79960662    -16.54309195
  H     14.66141339     14.34724886    -14.53114322
  O     21.84475338     14.26186177    -13.41146608
  H     16.11193664     19.03001754    -15.70147207
  H     15.39966279     13.49155775    -13.47188150
  O     14.63221563     15.88353220    -15.70856227
  H     17.00840252     17.97812880    -16.40014958
  H     20.01948392     16.89279207    -13.91030506
  O     16.79040195     11.46465931    -16.66393996
  H     22.46464600     14.36522228    -12.69447314
  H     21.07508445     17.05082116    -15.01695317
  O     16.52882336     10.49634094    -12.92439500
  H     21.55061611     15.15774889    -13.65631882
  H     17.70897366     13.24783984    -12.59509565
  O     14.58673809     10.93684644    -15.00971656
  H     13.77850492     16.19141493    -16.00578923
  H     16.60168696     12.23332907    -12.29303892
  O     22.07153206     12.85707943    -15.87267449
  H     15.20648418     16.66387327    -15.67098083
  H     18.34715864     14.93105407    -19.50513528
  O     20.65894852     14.74266124    -17.37531012
  H     16.00731329     11.14278368    -16.20059411
  H     17.13927048     15.05438381    -18.57088245
  O     19.28969759     13.08888370    -13.41292220
  H     16.61608733     12.39640835    -16.86211327
  H     17.69000644     16.59862489    -13.10732987
  O     19.03944791     11.32734292    -18.36528468
  H     17.34276829     10.40855315    -13.43649882
  H     17.53080141     17.43918314    -14.40865908
  O     21.06379333     17.39252763    -16.90246372
  H     15.81606450     10.48723174    -13.57514436
  H     18.09136587     16.99933484    -18.16219635
  O     14.66540696     13.48670490    -14.10032427
  H     13.69022404     10.61727570    -15.05825157
  H     19.19459991     17.68941438    -17.31324346
  O     20.95105049     16.73305444    -14.11481802
  H     14.54086212     11.86422727    -14.71158365
  H     16.52744339     16.08856079    -10.84853469
  O     16.80206065     13.17909298    -12.26069229
  H     22.11831285     13.28536534    -15.01010927
  H     16.73233538     14.91609184    -11.81885125
  O     17.69533588     15.56128282    -19.17865831
  H     21.68246241     13.51444295    -16.46572083
  H     19.52136140     10.50876155    -15.27713638
  O     18.16034489     16.92874178    -13.88738784
  H     19.90223180     14.71616487    -16.76885268
  H     18.06972048     11.02809241    -15.41461055
  O     18.25237159     17.69745774    -17.50947285
  H     20.36991900     14.37814963    -18.22104622
  H     18.81357587     14.05813104    -14.85030408
  O     16.78723690     15.88208457    -11.74273698
  H     20.20942702     13.36700569    -13.33613337
  H     18.45114937     15.53869454    -15.05824985
  O     18.74036357     10.75989595    -14.76907018
  H     19.24321506     12.21848898    -13.83570423
  H     19.41859767     12.74300257    -19.27773175
  O     18.58746762     14.70661247    -15.52976237
  H     19.71758815     10.97334141    -17.77749190
  H     20.04235600     13.32642824    -20.56649596
  O     19.68488920     13.57091385    -19.71746844
  H     18.20590004     11.27600921    -17.87988479
  H     15.69860515     14.68218261    -16.71290865
  O     16.42073839     14.17567241    -17.10026763
  H     21.01741726     16.45057178    -17.14295936
  H     17.20110777     14.36228883    -16.55248560
          69
 Energy    -248.91864390721474     
  O      2.49641773     -0.54315687      7.29690739
  H      2.38864501      0.39612339      7.07787810
  H      7.37877937      1.03890979      7.11307506
  O      1.23804099     -2.97732634      2.00818673
  H      3.36745545     -0.82204276      6.98779340
  H      4.61505646      3.54147796      5.08169853
  O     -1.34002317      0.14514432      5.20109440
  H      0.87752278     -2.14787892      1.67528336
  H      4.93593230      4.53062829      3.93662364
  O      1.15883477     -4.66529386      6.57976519
  H      0.66007067     -3.25322771      2.73319130
  H      2.18704484      1.74443088      3.51696545
  O      4.90046780     -1.31043143      6.18018068
  H     -0.43785472     -0.19767788      5.10408443
  H      2.78734067      3.11016716      3.88275707
  O      3.49886639     -3.72143269      5.62681311
  H     -1.89573938     -0.63496999      5.30956137
  H      5.92700153      0.55291241      3.71124201
  O     -0.83975037     -2.98381747      7.74299589
  H      1.29895895     -5.56596787      6.86039796
  H      5.73192304      2.08000814      3.93248328
  O     -0.52505249      1.41709560      7.59535663
  H      2.02662533     -4.32496146      6.29695492
  H      0.16249392      2.10437309      3.22712830
  O      0.46341202     -0.88668882      9.07708318
  H      4.90174625     -1.19431891      5.21871320
  H     -0.98746651      1.17233418      3.66788036
  O     -2.44251161     -2.44267208      5.64250041
  H      5.50765516     -0.64524381      6.52790924
  H      3.67325746      2.76562743      6.89979745
  O      4.90085236     -1.00589803      3.39126170
  H      4.05006862     -3.00042842      5.95327540
  H      5.16857559      2.34489953      6.94372842
  O      6.49340997      0.91681166      6.78060713
  H      3.59997609     -3.72200936      4.66655303
  H      0.80193557     -1.96930346      4.77566076
  O      4.58946175      3.65993122      4.11448861
  H     -0.11771104     -3.56209126      7.46785916
  H      1.58365014     -1.04963929      5.78444067
  O      1.96598301      2.60388525      3.90697978
  H     -0.44331472     -2.27920122      8.27111309
  H      4.10052662     -4.25655188      2.23601325
  O      6.32595564      1.33969515      4.10545898
  H     -0.36179368      0.66788846      8.17947225
  H      2.89750606     -3.31783889      2.47166834
  O     -0.55408400      1.55235251      2.89181194
  H     -0.94664734      1.05238640      6.80525258
  H      0.08543678     -0.11501182      0.25784116
  O      4.57724998      3.08635611      6.77046388
  H      1.25015578     -0.81356926      8.50899317
  H     -0.05287962      0.31336685      1.73471903
  O      1.13517856     -1.07741439      4.93018776
  H      0.76243953     -0.77504472      9.97615253
  H      0.22982522     -4.05870317      5.07660080
  O      3.78891293     -3.54542989      2.79012306
  H     -1.93896578     -2.61931288      6.45924843
  H     -1.01803925     -3.21901463      4.67881904
  O      0.35218737     -0.34657789      1.14359380
  H     -3.32888804     -2.76118914      5.78914704
  H      1.88394070      2.27661878      5.71895965
  O     -0.15671998     -3.52709509      4.36824942
  H      4.09238874     -0.52015406      3.16256689
  H      1.07743025      2.00970126      7.02942845
  O      1.97045124      2.07676552      6.66087321
  H      4.72715395     -1.91240714      3.11252918
  H      1.91863836     -0.01578156      2.11035779
  O      2.48539203      0.10285790      2.88128380
  H      6.52652488      1.09125108      5.82148735
  H      2.02898821     -0.34342786      3.61410466
          69
 Energy    -248.91859860124890     
  O     17.80952774      8.87666538    -12.37966182
  H     16.99818913      9.40437942    -12.48236098
  H     15.62202544      8.54269344     -7.32086734
  O     11.89597634     11.77961560    -11.76090285
  H     18.15289453      9.05309957    -11.49300329
  H     13.20116359     10.90199341    -10.80805795
  O     11.45594343      9.52196160    -13.45903382
  H     12.36243657     12.19832114    -12.50801907
  H     13.77121658      9.47960332    -10.46085482
  O     16.10626287      6.71304128    -11.68087974
  H     11.24843404     12.40796229    -11.45316232
  H     18.72074794      8.54197418     -8.76203205
  O     18.77269368      9.94214990     -9.99267991
  H     11.84806787      9.84421120    -14.27946174
  H     17.74192587      8.34264705     -7.59607464
  O     16.34966673     11.00305168     -9.16599435
  H     11.50226225     10.25667841    -12.83591085
  H     16.71612928     12.82591000    -14.12061363
  O     11.90291376      6.99578950    -12.62568085
  H     16.47223563      6.28871222    -10.89359873
  H     16.32104295     13.14510665    -12.64570006
  O     17.72643567      9.50978430    -15.21106383
  H     16.75590950      7.36287660    -11.97565702
  H     17.62796856      6.47967837     -8.84639540
  O     14.39815124      6.49414838    -13.96339541
  H     19.25650244     10.61180728    -10.48358659
  H     17.48687959      4.94231554     -8.95640434
  O     14.96501564      8.94166495    -15.06110693
  H     17.93369551     10.34674762     -9.71685723
  H     14.94631728     10.34218616    -11.97647030
  O     12.86612135     10.54210324    -15.73129404
  H     15.49883641     10.85477074     -9.60342920
  H     15.67473805     11.23250238    -13.02459423
  O     16.17240256      9.25827499     -6.95431417
  H     16.29706023     10.53297840     -8.32389036
  H     18.80857768     10.60532792    -12.50868285
  O     13.97107502     10.42740249    -10.46987674
  H     11.70421656      7.89369493    -12.94777946
  H     19.05369504     11.88778077    -13.29253221
  O     18.39024454      7.87932186     -8.14126497
  H     11.09187618      6.49764190    -12.67690597
  H     18.07896824     11.23905943    -15.18051369
  O     15.96526269     12.95450146    -13.52850462
  H     17.95447518      9.08210516    -14.37788018
  H     18.69082318     12.51322659    -15.80978091
  O     17.08575489      5.76450568     -9.22522972
  H     16.80465527      9.26740387    -15.37438167
  H     14.54264363      7.39185960    -11.00152402
  O     15.52519342     10.31902649    -12.74765054
  H     13.52193070      6.56048642    -13.56395035
  H     13.00728395      7.40644638    -11.21099656
  O     19.17380712     11.49381681    -12.41927294
  H     15.01772386      6.39525630    -13.22914928
  H     17.93259920     12.56281043    -11.44457436
  O     18.25545984     12.18443763    -15.02775855
  H     15.10494618      9.42661499    -14.23258155
  H     16.86784487     12.49164459    -10.32980679
  O     13.70835330      7.69394967    -10.61344527
  H     14.76605625      8.02775791    -14.80979061
  H     13.11640016     12.08342725    -14.62259096
  O     17.17079707     13.02724530    -11.07191835
  H     13.62738675      9.95038522    -15.60356527
  H     14.14501385     12.93997943    -13.83992654
  O     13.20325939     12.73493610    -13.91592080
  H     12.64575767     10.51220153    -16.65864671
  H     15.52676322      6.56919066     -8.39769047
  O     14.84386888      7.18171146     -8.09812375
  H     15.91707986      9.36258538     -6.04165042
  H     14.29033992      7.34755636     -8.87243792
          69
 Energy    -248.91849165395257     
  O     10.38849282      9.89851669    -12.15550493
  H     11.18507673     10.40485869    -12.36301912
  H     18.83265549      5.67000637    -16.10290088
  O     13.99187730      7.40127662    -15.47274585
  H     10.06333331      9.54970434    -12.99483800
  H     15.42308770     12.23187962    -14.34458714
  O     17.30856874     10.08310994    -10.24943082
  H     13.74725797      6.80117105    -14.75408561
  H     14.84097095     13.65638229    -14.18439437
  O     12.26216482      9.55730062    -15.26020863
  H     13.33081681      8.10695630    -15.49459417
  H     15.09446478      8.30346402    -14.36087616
  O     15.49695770      5.62904543     -9.87219676
  H     17.46192833      9.12148019    -10.18744261
  H     15.97609581      9.57039947    -14.08806212
  O     13.47016300      5.92130831    -13.17927804
  H     17.70156870     10.47468189     -9.47413531
  H     10.04440752      7.69918482     -9.90397768
  O     14.73555627      9.65037192    -11.31397231
  H     11.36253024      9.22283316    -15.15805283
  H     10.57940200      8.54364134    -11.08542030
  O     16.46383426     10.38520465    -17.28868875
  H     12.49087238      9.99834898    -14.42994186
  H     17.04743348      7.71445753    -13.29747228
  O     15.99129020      4.95926144    -12.62396172
  H     14.73096717      6.18669300    -10.08922556
  H     18.19772323      6.89275327    -13.95497885
  O     16.79280187     11.15289606    -14.61070701
  H     15.22670978      5.05235073     -9.16221133
  H     10.62525053      6.67590692    -12.22906461
  O     16.39909736      7.54122713    -16.91521755
  H     14.30616555      5.43610998    -13.12400360
  H     11.59141749      6.05504489    -13.25820582
  O     18.52434666      6.42729031    -15.61283468
  H     13.43810793      6.45314886    -12.37311720
  H     18.20797140     10.16915388    -11.96872965
  O     14.59519212     12.74180230    -14.29754707
  H     15.03959795      9.27990836    -12.16004343
  H     18.59954430      9.08561116    -12.98350093
  O     15.63223646      8.75612342    -13.69974853
  H     15.53235523      9.92184573    -10.84393645
  H     16.97961320      6.78649002    -10.06284077
  O     10.70841652      7.71584223    -10.58773791
  H     16.75743503     10.73572531    -18.12575752
  H     17.85068212      7.24204706    -11.25420775
  O     17.84477727      7.19741928    -13.10510848
  H     15.54219177     10.67753120    -17.16865566
  H     13.29295246     10.65279287    -16.36746336
  O     10.68587173      6.37170585    -13.14283878
  H     16.68906012      5.57631752    -12.86932507
  H     14.08031598     11.91395885    -15.98615506
  O     18.57093203     10.04028123    -12.85430962
  H     15.90365285      5.03793058    -11.66531957
  H     12.51591547      7.43124849    -10.54467649
  O     17.66397846      7.41525549    -10.32061297
  H     17.54255186     10.84896277    -14.07716826
  H     13.87274525      8.15584791    -10.81629986
  O     13.96183147     11.26932503    -16.69394979
  H     16.91626216     10.89304313    -15.53294070
  H     13.38113637     11.69542066    -13.32822276
  O     13.46080779      7.29000366    -10.68277259
  H     16.44400458      8.48660449    -17.09915343
  H     13.47884037     10.57914920    -12.26219575
  O     12.88058860     10.98780155    -12.90329030
  H     15.52417469      7.38272408    -16.53643180
  H      8.97413560      8.26820760    -15.04362419
  O      9.77822291      8.48548234    -14.58042581
  H     17.78474096      6.79729736    -16.12536260
  H     10.07613898      7.67260834    -14.13310877
          69
 Energy    -248.91815319108986     
  O     -6.27468844      1.53785973      0.83665547
  H     -5.60460052      2.14176007      0.48583871
  H      0.99474182      1.86322322      2.25163612
  O     -5.17025585      1.70455114     -3.43460304
  H     -6.32607166      1.71271592      1.78490687
  H      0.00174722      3.80595604      1.37171882
  O     -6.04864497      1.93598507      3.61155393
  H     -5.28041496      1.74814688     -4.38222082
  H     -1.32999362      4.51604170      1.02663954
  O     -0.77319985     -1.49749695      1.93424640
  H     -4.52755504      2.39503426     -3.20471905
  H     -3.88846240      3.23693204     -0.97048510
  O     -3.01070111     -1.32907889      0.20442001
  H     -5.28439671      2.53520393      3.68824360
  H     -3.58239317      2.43826474      0.32636706
  O     -3.90354904     -0.68286675     -2.38030540
  H     -6.68350796      2.21566256      4.26578785
  H     -0.15562559      2.62416363     -0.26930508
  O     -5.66925134     -1.20441430      1.00647763
  H     -1.21653409     -1.40156829      2.78621291
  H      0.44078888      1.19833219     -0.03665846
  O     -3.14978636      3.36765861     -2.63492479
  H     -1.47788233     -1.60174086      1.28183649
  H     -7.02489862     -2.47955146     -2.04317683
  O      1.25120895      0.19797171      1.28203934
  H     -3.89209361     -1.39949564      0.59666471
  H     -6.78476436     -0.98576225     -1.70668876
  O     -1.64308649      1.11139677     -2.87808844
  H     -3.16152664     -1.14045274     -0.73126996
  H     -2.02781057      1.53740391      2.66581387
  O     -2.23713613     -1.01292502      4.34341269
  H     -4.27663052      0.13677837     -2.72927870
  H     -1.85810587      0.79595084      4.00775648
  O      0.63537867      2.68130146      2.61482964
  H     -4.66926292     -1.24794952     -2.21325330
  H     -5.16893195     -1.02331214      2.80486326
  O     -0.48922575      4.22722534      0.64914309
  H     -5.86474522     -0.25802029      0.93227060
  H     -5.23092983      0.21123077      3.71978590
  O     -4.17273833      3.10841556     -0.05682200
  H     -5.99543376     -1.60837636      0.19360364
  H     -2.67972456      0.35674835      0.75246374
  O     -0.14857736      1.71620855     -0.60192542
  H     -2.57504007      2.59688175     -2.77712137
  H     -1.63944575      1.44776357      0.40756356
  O     -6.39959937     -1.87971684     -1.64614897
  H     -2.56761398      4.11566950     -2.44970343
  H     -3.33567169      5.94799338      1.24518430
  O     -1.79012943      1.66580828      3.59766334
  H      2.06136720     -0.30358021      1.24959291
  H     -3.55565244      4.44900136      0.93632337
  O     -4.82372570     -0.65876583      3.62966231
  H      0.54755600     -0.42560502      1.53603792
  H     -6.59413058      1.16631603     -2.29353266
  O     -2.43883224      1.27616190      0.92285329
  H     -1.03961760      1.21383980     -2.12761122
  H     -7.04168506      1.07032441     -0.81644511
  O     -3.07718862      5.06889358      1.51275718
  H     -2.17075122      0.32248679     -2.71898657
  H     -3.60338632      4.15430857      3.11430105
  O     -7.20095568      0.70782174     -1.69835987
  H     -2.20376471     -1.50453016      5.15955574
  H     -3.10457037      2.90524322      3.86346354
  O     -3.85922388      3.50575267      3.77933752
  H     -3.17848967     -0.92750616      4.10665944
  H     -0.62216062      5.77978657     -2.24541037
  O     -1.31136754      5.28125813     -1.81193499
  H     -0.14148496      2.40770765      3.12237137
  H     -0.92747044      4.97064543     -0.97786918
          69
 Energy    -248.91797066173152     
  O     19.30185019     11.09648857    -10.25512935
  H     19.14744924     10.81408646     -9.34454124
  H     17.89999239     11.32810605    -11.37653348
  O     19.03734874      6.55536288     -9.81953958
  H     20.23583088     11.33275861    -10.32110858
  H     22.02588632     10.49198386     -9.80785007
  O     20.14822868      4.78312526    -12.64271836
  H     19.26591706      7.24830908    -10.46039258
  H     22.80252521     11.78910267    -10.12437464
  O     20.13600635      6.55619148    -14.93437495
  H     18.54064516      5.88794855    -10.30994455
  H     18.64594126      8.43287089    -13.16783495
  O     17.51163914      4.97584833    -11.48729192
  H     19.24587330      4.71229756    -12.31041465
  H     18.44553508      9.35493909    -14.37806814
  O     21.81627993      8.07406611    -13.18695690
  H     20.09465835      5.27493789    -13.47093013
  H     14.61935320      6.24978900    -12.45269455
  O     21.63362700      9.27290903     -8.60417148
  H     20.09186591      6.35034493    -15.86464542
  H     13.51451121      6.63707436    -11.45713060
  O     14.91904344      6.59989644     -8.47232453
  H     19.43172636      7.20043101    -14.75306993
  H     16.38160264      8.88041091    -10.12293948
  O     22.33270698      6.06352298    -11.45530763
  H     16.78294924      4.57082500    -11.00207796
  H     16.27428199      9.88933818    -11.32412122
  O     19.54345243      8.55467196    -11.59030532
  H     17.11856768      5.69737203    -12.00009182
  H     16.11929096      7.78903463    -12.12853682
  O     18.97296669      9.97885927     -7.69712524
  H     22.16354303      7.41507567    -12.56431206
  H     16.84781381      7.51343820    -13.45649043
  O     17.20578071     11.21416332    -12.04252863
  H     21.38763213      7.57540103    -13.89237147
  H     21.68765183      9.89314817    -13.31396899
  O     22.08603759     11.23922501    -10.43029945
  H     21.71874369      8.31208219     -8.62852134
  H     21.70369741     11.05241589    -12.31006400
  O     18.33329301      8.44206139    -14.08698646
  H     20.78067137      9.45380678     -8.19143157
  H     16.38371489      7.61845440     -8.39986273
  O     13.87121935      5.89082178    -11.95566410
  H     15.02174416      5.75505575     -8.92712453
  H     17.83208979      7.53724388     -8.95951467
  O     15.86729597      9.11633790    -10.90542503
  H     14.25966143      7.09074848     -8.97847262
  H     12.70170448      8.85292630    -10.24209583
  O     16.26480228      7.10934756    -12.80326990
  H     22.19763587      6.14725838    -10.50641287
  H     14.19587284      8.61129100    -10.55573521
  O     21.40900146     10.81314320    -13.19577731
  H     21.60591930      5.51539480    -11.79068299
  H     19.83413409     11.08068425    -13.94090220
  O     17.17600205      8.14349552     -8.58464594
  H     20.39371440      8.46025698    -12.04242812
  H     19.02361637     11.83176552    -15.02041938
  O     13.36259054      8.16963999    -10.31636969
  H     19.49813829      9.43549878    -11.20092040
  H     20.61505832      6.39129863     -9.03794289
  O     18.95544911     11.15227650    -14.35515989
  H     18.28337648      9.33304530     -7.92867836
  H     21.62608997      5.75515190     -8.05461497
  O     21.52966552      6.44147168     -8.71000936
  H     18.73013264     10.34798577     -6.85187219
  H     14.60223044      4.76113384    -10.82712156
  O     15.11137224      4.26154630    -10.16312495
  H     17.66577855     11.25206544    -12.88778709
  H     14.66164002      3.42950034    -10.04122822
          69
 Ord_Energy   -248.917709    
 O   -5.84596634      -4.11925411      -1.18217838    
 H   -5.89733791      -4.78046513     -0.483035773    
 H   -4.95149136      -3.75467968      -1.14321530    
 O   -1.77503431      -1.11944079       4.64730787    
 H   -1.55541420      -1.22041023       5.58152676    
 H   -1.80677927      -2.01808906       4.27729082    
 O   -7.95858192      -1.53232229       1.65721750    
 H   -7.64641523      -1.54109240      0.732215345    
 H   -8.86980247      -1.25449622       1.63929343    
 O   -2.05977559      -3.56354332       3.56529117    
 H   -2.55146170      -4.18899727       4.11524582    
 H   -1.58017695      -4.07896185       2.90533400    
 O   -3.65055394      0.867570519      0.880158186    
 H   -4.35267735      0.659304440       1.51162243    
 H   -2.83349037      0.527164280       1.26282108    
 O   -6.04823828      -5.93385363       1.04718137    
 H   -6.41829014      -6.79862547      0.889645398    
 H   -5.17033863      -6.07389784       1.44552922    
 O   -5.35079718      -3.64718127       7.97972202    
 H   -5.58660984      -3.63293505       7.03658867    
 H   -6.06434059      -4.08707142       8.43457699    
 O   -2.63214421      -4.41158342       7.37973881    
 H   -2.15268970      -3.57560110       7.36693287    
 H   -3.50458431      -4.20521355       7.73950243    
 O   -6.97054386      -1.61411977     -0.815657914    
 H   -6.67608452      -2.51568317      -1.01556695    
 H   -6.25446033      -1.02801228      -1.08452356    
 O   -3.64433455      -6.22289324       2.26040769    
 H   -2.80511332      -5.90078926       1.91234410    
 H   -3.62102914      -6.08053398       3.21560717    
 O   -4.62137556      -9.11036730E-02  -1.46334863    
 H   -4.26347113      0.323431581     -0.658215284    
 H   -4.47741795      0.522991657      -2.17809439    
 O   -1.25200272     -0.199555814       2.08015418    
 H   -1.41066468     -0.437716186       3.00741959    
 H  -0.500304520      0.390336126       2.08195949    
 O   -4.21522093      -2.64829445       1.96571410    
 H   -3.47615385      -2.97115993       2.49457335    
 H   -5.00090742      -3.15155578       2.21614170    
 O   -3.61579347      -5.32385778       4.97967720    
 H   -4.39910460      -4.75826502       5.02719021    
 H   -3.16132021      -5.19893360       5.82648659    
 O   -6.67905283      -3.79746628       2.71944427    
 H   -6.63708162      -4.55294228       2.11853790    
 H   -7.21855974      -3.10210538       2.31976938    
 O   -3.51517463      -2.57447100     -0.725623131    
 H   -3.83814311      -1.74297738      -1.09579456    
 H   -3.79411507      -2.58846760      0.203921586    
 O   -4.16081190      -1.05673361       7.84585142    
 H   -4.42411804     -0.830678225       6.94242144    
 H   -4.63742161      -1.86840284       8.05998707    
 O  -0.992475688      -2.58770847      0.397095799    
 H   -1.79207492      -2.56735396     -0.149709344    
 H   -1.03087878      -1.80188537      0.952903986    
 O   -5.68269730      -3.43774748       5.25358295    
 H   -5.28489876      -2.55827713       5.17731905    
 H   -6.16544104      -3.60253739       4.43230629    
 O   -1.55194116      -1.68439567       7.39832401    
 H   -2.45255208      -1.40437698       7.64211464    
 H  -0.976128221      -1.39897847       8.10307121    
 O   -4.55524540     -0.877687454       5.07278252    
 H   -3.60659361     -0.898093522       4.88783216    
 H   -4.98629665     -0.519730330       4.28579760    
 O   -1.08165216      -5.07184839       1.45896399    
 H  -0.303700000      -5.57946682       1.24429631    
 H  -0.995754242      -4.21838856      0.996340632    
 O   -5.55347395     -0.309820175       2.55994821    
 H   -5.00605106      -1.07379019       2.31298876    
 H   -6.45416689     -0.548079967       2.31259894    
          69
 Energy    -248.91758181933574     
  O     15.44789217     10.80678933    -16.00671506
  H     15.67853666     10.27749630    -16.77890647
  H     16.58818021      4.02684700    -16.28763990
  O     14.26516695      5.81087260    -15.75899361
  H     14.52218534     10.61010589    -15.81183770
  H     18.28167486      6.71339992    -15.64786631
  O     18.08080733      7.94526780    -12.23426138
  H     13.88651499      6.47349421    -16.35632378
  H     19.46232453      6.40804502    -16.61438396
  O     19.69269192      6.68095260    -18.40957118
  H     14.72580346      5.14609111    -16.28522297
  H     19.23527805      8.58413118    -18.17343168
  O     17.07958454      6.08695518    -18.82011606
  H     18.95891044      7.90554000    -12.63427850
  H     18.96068949      9.65477383    -17.09168684
  O     14.20031164      8.80796373     -9.99295075
  H     17.58354472      8.61463967    -12.72257857
  H     15.81441125      6.82625400    -15.43754818
  O     14.26477554      6.08915820    -13.06497204
  H     20.25109004      6.38642918    -19.12365522
  H     16.52158223      8.10336291    -14.86193004
  O     16.47874838      9.63813626    -13.79471627
  H     18.78151887      6.42230143    -18.63960765
  H     12.08311247     10.24182646    -14.96881756
  O     17.62533220      4.13098647    -14.88723057
  H     16.60413889      6.91103840    -18.66609619
  H     13.23026341      9.48078779    -14.27010409
  O     13.67310950      5.97449773    -10.32223523
  H     16.67260462      5.41412284    -18.26040744
  H     16.17126721      4.33828837     -9.08492250
  O     19.13984479      9.92386807    -15.25472452
  H     13.99233853      9.38664128     -9.26450621
  H     15.23025926      5.28315370     -9.87214982
  O     16.01053451      4.07076213    -17.07101733
  H     15.12732579      8.53067927     -9.87628152
  H     14.28148333      8.29727687    -17.65919971
  O     19.17313722      6.33224970    -15.69630096
  H     14.10099114      5.88489388    -13.99621875
  H     13.20477528      8.59831692    -16.59145214
  O     18.77259156      9.41340107    -18.01038955
  H     15.17621838      5.82338476    -12.87755794
  H     21.32981251      7.58757943    -13.66932702
  O     16.61089685      7.37012141    -15.48205645
  H     16.20215715     10.17461351    -14.55545244
  H     20.05048919      7.20626099    -14.45797210
  O     12.92134061      9.81372665    -15.12773168
  H     15.66349970      9.41416916    -13.32363668
  H     16.74720310      5.12923842    -11.52158249
  O     16.16211350      5.03341964     -9.73696767
  H     18.31873178      4.74623344    -15.16126725
  H     17.34022794      6.24916260    -12.41455888
  O     13.47448044      7.95228867    -17.25623002
  H     17.34603109      4.43521320    -14.01438977
  H     17.30319246      7.95199763    -10.53505160
  O     20.40622328      7.79974691    -13.77278314
  H     13.67686903      6.91753517    -10.11939857
  H     16.65296112      6.89367107     -9.62340790
  O     16.89221864      5.39235969    -12.43953700
  H     13.68370480      5.91663509    -11.28822970
  H     14.00173827      8.94586281    -11.81947467
  O     16.72697530      7.84528324     -9.76677467
  H     19.68446023      9.30885772    -14.74874931
  H     14.08097044      7.85304515    -12.91481178
  O     14.03274716      8.81128044    -12.77508435
  H     18.35358249     10.06475957    -14.72129052
  H     17.02953791      9.05940321    -18.10279007
  O     16.15764882      8.69746567    -17.87826505
  H     15.88874346      3.17493792    -17.37488968
  H     16.29560198      8.21955676    -17.04524122
          69
 Energy    -248.91755749965242     
  O     -8.83167991     -3.16023958      6.12050305
  H     -8.09749343     -2.57136051      6.37147123
  H     -4.21374321      0.92900776      2.56080875
  O     -9.59158321     -1.87040662      2.17410075
  H     -8.91318923     -3.80557900      6.81820524
  H     -7.04219462     -0.48481243      3.76001750
  O     -8.07255986     -3.81838548      3.44825524
  H     -8.98688597     -1.24705445      2.60575143
  H     -8.32114087      0.28369583      4.21608063
  O     -4.84454972      0.93714601      0.84137262
  H    -10.48271865     -1.60499065      2.42761067
  H     -6.20708975     -1.44135250      5.92309873
  O     -7.02508035      1.28641908      7.37205696
  H     -8.32041540     -3.67594401      4.36939157
  H     -6.85024429     -0.59942994      7.04428749
  O     -4.72543265      4.79469191      4.25168514
  H     -8.68189295     -3.27603645      2.92810581
  H     -1.69849138      3.82266998      3.61362316
  O     -9.56163087      1.37778054     -0.17123967
  H     -5.73701571      1.29293551      0.99362325
  H     -3.22806462      3.97522634      3.61333420
  O    -10.82183572     -1.19850401      5.54141550
  H     -4.44163559      1.47537168      0.16403684
  H    -10.64351856      4.01368304      4.41832044
  O     -5.42574601     -1.20156674      4.29314777
  H     -6.77342854      1.72934025      8.17762019
  H    -10.32828948      2.80192520      3.50795253
  O    -11.99892362     -0.79457850      3.15787121
  H     -6.47946516      1.66256692      6.65758090
  H    -10.52921344      1.57556044      1.45460326
  O     -5.99140112     -1.63269248      0.23741836
  H     -5.56311550      4.75544476      3.77382063
  H    -11.33589232      0.87113461      2.57614508
  O     -3.92558508      0.99345401      3.48177905
  H     -4.82917411      4.10939959      4.92390754
  H     -6.47751698     -3.57577363      2.83983028
  O     -7.86177226     -0.07986528      3.44834844
  H     -9.26279880      0.45727610     -0.29880318
  H     -5.11058194     -4.15820154      2.40563198
  O     -6.77791969     -1.49710297      6.70291406
  H     -9.87035032      1.68743627     -1.01769703
  H     -9.07196823     -1.52229932      0.45020611
  O     -2.50636037      3.35776161      3.41175007
  H    -10.21453836     -1.92472841      5.72673628
  H     -7.72044991     -1.32249943     -0.25744978
  O     -9.97038846      3.36944717      4.21634652
  H    -10.31582937     -0.38618946      5.68410529
  H     -8.54111026      1.21199871      6.32044757
  O    -10.92416343      1.70712942      2.32460373
  H     -5.34792541     -1.94983732      3.68619076
  H     -9.47324724      1.92213023      5.27730279
  O     -5.58653600     -3.34026169      2.52136034
  H     -4.76435086     -0.54040719      4.05182905
  H     -6.30711340      2.75852565      4.64880523
  O     -8.66646146     -1.13514019     -0.33793601
  H    -11.64310095     -0.96197695      4.05041728
  H     -5.09236701      1.79913929      4.69396099
  O     -9.21039769      1.06700818      5.63993231
  H    -12.89584255     -1.11672802      3.15256777
  H     -7.55338681      1.10381371      2.15767567
  O     -5.70546253      2.29604493      5.25059861
  H     -5.49406389     -0.82943220      0.42815964
  H     -8.07767321      1.74427114      0.84215222
  O     -7.35633019      1.77278804      1.48220980
  H     -5.83400439     -2.23049060      0.97771063
  H     -8.19726375      3.75649871      3.72267690
  O     -7.27907820      3.74304434      3.42651999
  H     -3.30294548      1.73398978      3.50729650
  H     -7.25904137      3.15390130      2.65899204
          69
 Energy    -248.91734943329413     
  O      9.24328959     11.77678883    -11.76311588
  H      9.61568422     11.49747895    -12.60636055
  H     11.97410192     11.90002824    -13.56621710
  O     14.30412969      7.23103706    -15.67430906
  H      9.65852123     12.61882311    -11.52301697
  H     16.44439594      9.64938881    -10.33788979
  O     11.43006628      9.01884098    -10.26995328
  H     13.32983980      7.20629291    -15.68227368
  H     16.96692394     10.97290467    -10.95849558
  O     14.53741782      8.50481246    -13.18507270
  H     14.60459185      6.46029739    -16.14743369
  H     15.94575380      7.20501336    -10.64598813
  O     12.84557293     11.40310297    -10.60302160
  H     10.58382268      9.35294735     -9.94717319
  H     15.14005187      8.16899561    -11.54251287
  O     14.04905329     10.00251054    -16.43565853
  H     11.98313690      9.79787080    -10.44200140
  H     12.82299313     15.56650285    -12.72509595
  O     11.72824886      8.45136244    -12.94089662
  H     14.73485271      9.41819875    -13.44019567
  H     12.84903247     14.02500019    -12.60048712
  O     13.25194987     10.88792213     -7.12853280
  H     14.56978864      7.97506156    -13.99218060
  H     14.28719013      8.40360045     -9.18897915
  O     11.14149535     12.22807151     -8.54323433
  H     13.68583230     11.58794646    -10.16476144
  H     12.76390611      8.55374474     -9.07411825
  O     15.45424695     13.97096908    -11.05669962
  H     12.16836469     11.80083769    -10.03776549
  H     16.47204585     12.91199429    -11.97066216
  O      9.15057148     10.42073528     -9.45513533
  H     14.46793005     10.47242468    -15.70235564
  H     17.84005379     12.64594826    -12.64219591
  O     12.72830864     12.33838907    -13.15220542
  H     14.26330572      9.07096831    -16.30511431
  H     10.74032222     10.63267577    -15.00763692
  O     16.82475034     10.50993131    -10.12376034
  H     12.69287575      8.48605263    -12.99388502
  H     10.97411867      9.96647945    -13.63455859
  O     15.49646737      8.04747512    -10.64740063
  H     11.50738564      8.49000249    -12.00114681
  H     14.23508007     11.59611015    -13.76422015
  O     12.93968388     14.85449211    -12.10018652
  H     13.38857673     10.04157360     -7.59128409
  H     15.77261679     11.48131603    -13.56232994
  O     13.58262020      8.59699172     -8.56025883
  H     13.37344806     10.71469952     -6.19870220
  H     11.09444995     10.36816049    -17.57593770
  O     17.00366411     12.23808810    -12.43341266
  H     11.78360720     11.80719042     -7.95746043
  H     12.30887218     10.12772780    -16.64784298
  O     10.64828314     10.77495589    -14.05772897
  H     10.41362520     11.60541921     -8.67603737
  H     15.69297052     11.55013793     -9.23552149
  O     15.02050397     11.09343551    -14.02623986
  H     15.27497452     13.50479333    -10.22758394
  H     14.51991744     11.81007900     -8.22584448
  O     11.33712660     10.08411993    -16.69883847
  H     14.62254821     14.36753870    -11.33889912
  H     10.76032492     13.63344818     -9.82847007
  O     14.98920476     12.17054683     -8.98562456
  H      9.10693993     10.88820701    -10.31168257
  H     11.36949423     14.37450758    -11.04428450
  O     10.55390578     13.99397542    -10.70013368
  H      8.25309458     10.23550325     -9.19487154
  H     11.36535272      8.25762035    -16.03328102
  O     11.60209002      7.45123965    -15.55867186
  H     12.77473749     12.00081365    -12.24241756
  H     11.48125304      7.65687438    -14.62071533
          69
 Energy    -248.91731141616026     
  O     13.76427004      4.55009116    -16.27564221
  H     14.47823059      4.16329921    -16.79585631
  H     19.32682152      5.01056635    -15.86903894
  O     18.10677636      6.56323195    -11.95953990
  H     13.94067475      4.33473633    -15.34845761
  H     18.96167797      8.05596824    -17.61937908
  O     19.49790845      6.52618591    -18.50575685
  H     18.94125364      6.69324394    -12.42528920
  H     17.89076523      8.03773142    -16.50756059
  O     16.64978140      6.13732528    -18.87613088
  H     17.49834744      7.24418689    -12.28974099
  H     15.82400749      7.05103085    -15.78853220
  O     13.90502214      6.54427466    -10.50455709
  H     20.19867083      6.33890916    -19.12404394
  H     16.76396335      7.45901707    -14.63948684
  O     14.35998478      4.38352780    -13.54515939
  H     19.77387793      6.15685907    -17.64709263
  H     16.28755877      4.27354824     -9.99438883
  O     16.37728693      8.32800352    -13.06834090
  H     16.16392421      6.95848451    -18.74221583
  H     16.47977513      3.46306559    -11.28385725
  O     17.61129010      4.40119248    -15.63456751
  H     17.59075368      6.33764055    -18.80232201
  H     13.79905047      6.28931279    -16.19159892
  O     13.40479791      3.73838942    -10.96758278
  H     13.60382407      5.62906798    -10.57210411
  H     13.77025032      7.40422733    -15.10414001
  O     19.37484122      9.51862588    -14.52486237
  H     14.80717055      6.49254366    -10.16760700
  H     21.23079830      7.28178636    -13.28973191
  O     16.01148727      3.71817504    -17.83394275
  H     15.30453684      4.28459666    -13.36278863
  H     20.01473867      8.03364943    -13.87679886
  O     20.09902918      5.57187995    -16.02947834
  H     13.89543017      4.09380293    -12.75008975
  H     17.46452097      4.94850914    -12.61420915
  O     18.50399893      8.61859964    -16.98588534
  H     16.40969190      9.23412624    -13.40004998
  H     17.35471812      4.05321562    -13.87442941
  O     16.74576512      7.02536194    -15.50224215
  H     15.46074146      8.01639551    -13.08528881
  H     17.08173004      6.51040224     -8.87651764
  O     16.04718898      3.44002700    -10.41899837
  H     17.12184792      4.00136105    -16.36281180
  H     17.25428862      6.29765688    -10.39521236
  O     13.97293151      7.23212255    -16.03063705
  H     17.31701576      5.32532034    -15.58753745
  H     14.43196886      8.02009898    -17.53203046
  O     20.33146663      7.15977743    -13.58527105
  H     12.84706578      3.07705185    -10.56770241
  H     14.14965442      8.51733997    -18.96625084
  O     17.08480289      4.12486125    -12.94857268
  H     14.32100049      3.53134902    -10.70817137
  H     14.06137402      6.20628588    -13.42446855
  O     16.66756093      6.11944276     -9.64216319
  H     19.22688927      9.27274849    -15.45037989
  H     13.76538253      7.11836043    -12.23526865
  O     14.84895409      8.39144852    -18.32886751
  H     18.60860863     10.04814258    -14.28281200
  H     16.55539851     11.71045980    -14.04312685
  O     13.89944996      7.13305838    -13.19439468
  H     16.00389242      3.06072766    -18.52417228
  H     16.54781489     10.69941855    -15.21164291
  O     16.75255491     10.80456704    -14.26558430
  H     16.20796627      4.57248068    -18.25990811
  H     15.73904338      9.85390161    -17.42362478
  O     16.37857555     10.37848439    -16.92951706
  H     20.21897905      6.09081437    -15.22681256
  H     17.21932028      9.91982218    -17.07440120
          69
 Energy    -248.91699038928152     
  O     13.67448743     11.76484421     -8.29803477
  H     13.80697848     10.87457363     -8.67434097
  H     13.62887969     14.45617946    -11.61343809
  O     11.13725475     10.82414801    -14.84904420
  H     13.67947474     11.66460045     -7.34979192
  H     11.98619963     13.83884868    -15.49790717
  O     13.88401350      9.35835589     -9.48536723
  H     11.64319967     10.82924175    -15.67065019
  H     12.70854805     12.96855357    -16.54814790
  O     18.58855083     13.15572680    -13.31120481
  H     11.11053635     11.73963672    -14.52839634
  H     15.50368501     11.75581332    -12.67931406
  O     11.62288444     12.26138336    -10.17021431
  H     14.59858660      9.16682215    -10.11045920
  H     14.15227706     11.09340676    -13.13425742
  O     11.45442954      9.60313825    -10.98713660
  H     13.05114359      9.19655656     -9.94213792
  H     16.92175910     11.71247241    -15.87275395
  O     13.04472761      9.65978876    -13.21837377
  H     19.53117890     13.25815419    -13.41305413
  H     16.63974894     13.19904693    -15.63002532
  O     14.94357523     15.51804284    -10.88461076
  H     18.23759119     12.90309003    -14.18332208
  H     13.03255289     10.84477954    -17.88757069
  O      9.37519443      9.80313839    -12.93538163
  H     12.21514112     12.16400162     -9.41379312
  H     13.84614152     10.83162549    -16.57570697
  O     15.11541796     14.07018738    -15.00102177
  H     12.09779212     12.82229848    -10.80008277
  H     16.40565555      9.83812156    -11.41587944
  O     11.05765489     13.41017204    -13.87163381
  H     11.48082059     10.52206399    -10.67787306
  H     15.86071648      8.65218808    -12.23732240
  O     13.08761852     13.75929428    -12.00463356
  H     10.65864907      9.52007106    -11.52574678
  H     14.97748694      7.21233513    -14.12625053
  O     12.64963840     13.86539178    -16.19983562
  H     12.58967675      9.56929035    -12.37068109
  H     14.35274565      8.57506425    -13.74168345
  O     14.72621437     11.86354931    -13.24816292
  H     12.39875671     10.01486830    -13.84301337
  H     15.44642625      9.57035964    -15.26889737
  O     17.35582538     12.54779938    -15.67126937
  H     15.59078911     15.48305518    -11.61290815
  H     15.23982758     11.03962336    -14.88164290
  O     12.98327721     11.05758363    -16.95835442
  H     14.92927758     16.41732917    -10.56945702
  H     16.62266673     12.12273602    -10.89947713
  O     15.92307108      9.00262710    -11.34418992
  H      8.63941024      9.30796802    -13.28764237
  H     17.60525197     12.09919108    -12.12592357
  O     15.16780558      8.14472063    -14.05561119
  H      9.90764793     10.08911354    -13.69509285
  H      9.95662877     12.48790101    -11.16642811
  O     15.36793548     10.45727083    -15.64362834
  H     14.95675179     13.36284996    -14.36139477
  H      9.17498889     11.60339703    -12.15419901
  O     16.92642359     11.59861363    -11.65906164
  H     14.29031441     14.16344271    -15.49616182
  H     16.09190038     15.03364464    -13.75218470
  O      9.33006784     12.52068891    -11.90111346
  H     11.78988250     13.66123106    -13.29129745
  H     17.37281583     14.63729618    -12.99596882
  O     16.62404948     15.24351880    -12.97184824
  H     10.31253493     13.24014474    -13.27729512
  H     15.08281422     12.68216200     -9.17433117
  O     15.80560183     13.07383846     -9.67956616
  H     13.69817596     13.09932249    -12.35861165
  H     15.50856948     13.94653714     -9.96282522
          69
 Energy    -248.91689180403029     
  O     -1.40438368      3.56232498      3.33813024
  H     -0.83817142      3.00408730      2.77198753
  H      0.77601725      8.59525373     -0.21777186
  O     -2.84560493      6.45721383     -0.01926258
  H     -1.53704598      3.08711411      4.15353238
  H      0.34327518      4.35720520     -1.11022661
  O      4.28024566      6.59296947     -0.87291509
  H     -2.41416747      7.10631634      0.54834574
  H     -0.53012912      3.15910172     -1.55444513
  O      3.36404190      7.77906201      1.55548252
  H     -2.31428505      6.34507306     -0.82108898
  H     -0.16098388      7.19270388     -2.11029897
  O     -1.52811092      6.01557887     -2.44726755
  H      4.41554312      5.64812676     -0.73104860
  H      1.36900726      7.42411551     -2.31471447
  O      4.43217133      3.72120750     -0.88974616
  H      3.98502807      6.97246487     -0.03665388
  H     -4.51889518      1.48972633     -2.81766509
  O      0.78544585      5.50160799      0.17143995
  H      3.99072289      8.30681547      2.04488339
  H     -4.59279829      2.51662444     -1.66300248
  O     -1.54318080      8.19767590      1.78638827
  H      3.14750519      7.01442557      2.11698650
  H     -4.53383434      6.31365877     -0.68402737
  O     -1.75993195      2.18145205     -0.65849534
  H     -0.96871010      5.23002470     -2.36356123
  H     -5.90432528      6.89448876     -1.09878389
  O     -0.12649909      5.97873766      2.78806312
  H     -2.33776721      5.72266588     -2.88894888
  H     -3.89338119      3.98406431     -3.10977303
  O     -3.07329001      3.90795292      1.11419652
  H      3.81898555      3.76559593     -1.64645498
  H     -4.52932692      5.32228173     -2.69056855
  O      0.83544691      8.84603830      0.71595950
  H      5.17655989      3.19575205     -1.16976549
  H      0.96264957      2.47844199      1.40751234
  O      0.08430332      3.82867665     -1.88134261
  H      0.82716019      6.30674823     -0.35771742
  H     -0.36546027      1.95875851      0.77620028
  O      0.62327528      7.61147467     -1.72979420
  H      0.42969603      5.72823374      1.03959518
  H      2.69107523      4.99460651     -3.15568541
  O     -4.02564192      2.17827039     -2.37910278
  H     -0.68891187      8.49179217      1.41838164
  H      1.74823632      3.87123566     -2.67081286
  O     -5.37485420      6.10145929     -1.12147772
  H     -1.92566393      8.95072778      2.22850807
  H      2.73733039      4.80301819      2.54851117
  O     -3.89628104      4.92938239     -3.30380113
  H     -2.18334830      2.77594566     -0.02133267
  H      1.69291833      5.77127964      3.13547131
  O      0.08325193      2.13243395      1.61102901
  H     -2.43801054      2.00297718     -1.32143172
  H      1.94311334      4.26713866      0.75601352
  O      2.66466821      4.06066454     -2.91555521
  H     -0.72309599      6.71883744      2.62678583
  H      3.22772958      3.45676085      0.50754290
  O      2.64524403      5.62408099      3.04895074
  H     -0.64562318      5.20788093      3.05271451
  H     -5.60843533      4.25946149     -0.59238802
  O      2.48391671      3.54605835      1.11522067
  H     -2.61090890      3.82510198      1.95607193
  H     -4.68606371      3.43641365      0.31198711
  O     -5.40006752      3.35255024     -0.33626929
  H     -2.94208157      4.80843906      0.78657547
  H      3.42522916      7.37743726     -3.82347891
  O      2.90884556      6.91552374     -3.16866726
  H      1.69563963      8.53865519      1.02597023
  H      3.45586312      6.85886446     -2.36274511
          69
 Energy    -248.91673425172863     
  O     11.24957262     10.78615579    -11.49199535
  H     10.64907334     10.52315103    -12.20117219
  H     15.72989482     12.76562581    -15.24452350
  O     13.27290192      7.45921700    -14.88855797
  H     12.07519541     11.04484502    -11.91921226
  H     15.37727339      8.39467400    -12.57837211
  O     17.52836040      9.18263818    -10.27902607
  H     12.76078699      8.27673265    -14.95606819
  H     16.01065069      7.17135896    -13.35607357
  O     12.06504366      9.95775274    -14.90573582
  H     14.08622947      7.69053242    -14.41235852
  H     10.55984978      8.97753241     -8.97684013
  O     15.51423658      5.53387222    -10.16939913
  H     18.12302552      9.31066885    -11.02753243
  H     11.13797116      9.49834553    -10.31486573
  O     12.61629263      5.93434046    -12.69968007
  H     17.71020376      8.29465425     -9.94531792
  H     18.71199006      6.40763464    -11.30587888
  O     14.95709533      9.38450146    -11.14996265
  H     12.60463984     10.33922234    -14.19726852
  H     19.13472503      7.41245868    -12.39595667
  O     14.91857427      4.22961747    -12.65647265
  H     11.17092252      9.86084137    -14.55699841
  H     10.90316503      6.69823433    -12.33878848
  O     17.31588732      9.64843991    -14.66485180
  H     14.75822406      6.12839008    -10.07313392
  H     10.37082688      7.65359729    -11.24853812
  O     14.86784841      7.88099094    -17.20364483
  H     15.32948668      4.99187456    -10.94462168
  H     19.93891199      9.86638591    -12.76768797
  O     17.52550845      7.27730420    -16.14938280
  H     13.28763371      5.24265189    -12.68794972
  H     18.56969268      9.49663090    -13.37974405
  O     15.62269876     11.85707899    -14.97629835
  H     12.75933790      6.42933437    -13.52101291
  H     17.12966063      6.03069562    -14.71819860
  O     15.54211218      8.00931415    -13.44877351
  H     14.41247013      8.69560131    -10.74633316
  H     17.71465835      5.83077645    -13.28924154
  O     11.02534059      8.70387125     -9.76223271
  H     15.83307838      9.38046527    -10.73595016
  H     17.08717718      6.10126601     -9.76044660
  O     18.95298456      6.47800151    -12.23898710
  H     14.96890871      3.29718079    -12.85328645
  H     18.27703220      6.07044033     -8.77170198
  O     10.17592827      7.29555133    -12.12370977
  H     15.63950138      4.65633424    -13.14964701
  H     14.41719257      9.66462899    -17.03689325
  O     19.17449568      9.30873442    -12.64425390
  H     16.87264800     10.48853803    -14.83289350
  H     13.27792403     10.39348016    -16.28985359
  O     16.95136071      5.63436020    -13.85727045
  H     16.64944860      9.08614781    -14.23465705
  H     13.07462668      6.85157757    -11.17946922
  O     17.97559181      6.46202064     -9.58672409
  H     14.26247675      7.56460240    -16.51945424
  H     12.55968663      7.72914702    -10.00705661
  O     14.11191824     10.53877967    -16.75566001
  H     15.74382809      7.58494579    -16.93604617
  H     14.38314550     11.44448828    -13.52101526
  O     13.34201714      7.28268143    -10.35424272
  H     17.55247199      8.15785765    -15.74223367
  H     14.17214526     10.53902908    -12.27816773
  O     13.71027634     11.08646242    -12.93133399
  H     18.25799675      7.23706211    -16.76059558
  H      9.79791710      8.70171616    -13.09839348
  O      9.65858129      9.55853003    -13.54003929
  H     15.09592766     11.41963109    -15.67230810
  H      8.73559765      9.60177184    -13.77403235
          69
 Energy    -248.91669689955967     
  O     14.13846562     12.64456029    -14.07949223
  H     13.61422309     12.36071955    -13.32190866
  H     17.28683906     11.02786756    -15.24079363
  O     14.38485675      6.76636143    -13.96271919
  H     13.78707841     12.16920179    -14.84649160
  H     15.89873080      9.45610468    -15.01033947
  O     18.18405651      8.25758088    -12.15114350
  H     15.24824665      6.36125761    -13.81655040
  H     14.40794897      9.87183246    -14.97935068
  O     11.30171101      9.03540801    -15.86813956
  H     14.57861315      7.68516207    -14.21169159
  H     12.10307176     12.15978610    -11.26110238
  O     15.46428256      7.90295109     -8.82619068
  H     17.55347923      8.99175617    -12.13756245
  H     13.16704535     11.04274606    -11.32056013
  O     13.05583627      7.49071871    -11.68419370
  H     18.21566284      7.89636308    -11.25672248
  H     16.65230885      5.26547242    -11.98187408
  O     16.31909734     10.30145269    -12.30818230
  H     10.38232703      9.06858131    -16.11886462
  H     17.05109490      5.67086473    -10.55049742
  O     15.20022139      7.32356127    -18.04477873
  H     11.33075530      9.11559741    -14.89717129
  H     11.90057332      8.62604013    -12.63513321
  O     14.05749576      5.62671031     -9.83709024
  H     15.04450737      8.65164013     -9.26697928
  H     11.79358950     10.15465773    -12.80415340
  O     17.32610272      7.16241323    -16.18318186
  H     14.91193972      7.13558711     -9.02433050
  H     20.14570561      8.28157130    -14.71421665
  O     13.07806929      6.87985028    -16.43459478
  H     13.23328419      6.82304374    -11.01132634
  H     19.20816084      8.72069727    -13.57769111
  O     17.48547193     10.19921122    -15.69880977
  H     13.49440328      7.17942095    -12.49111433
  H     17.45440673      6.84345664    -13.11818821
  O     15.07018357      9.33343873    -14.52840257
  H     15.78059500      9.90693642    -13.01390644
  H     17.20921237      6.34020664    -14.55606053
  O     12.61103457     11.62331288    -11.86559061
  H     16.64010146     11.12950778    -12.68235190
  H     18.51230970      7.01187460     -8.85752524
  O     16.43715208      5.11997079    -11.05181905
  H     15.10403943      6.81521770    -18.84570585
  H     17.08947592      7.45197861     -9.27827196
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  H     14.41110828      7.14517543    -17.50250676
  H     16.26017959     10.24738669    -17.26131965
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  H     14.86930248      5.37233401    -10.31231956
  H     15.36955139      9.19606482    -17.95273008
  O     17.07409206      6.11236142    -13.62456324
  H     13.71723967      4.83469533     -9.43009074
  H     13.83383765      8.98267668    -10.98675259
  O     17.93924207      7.11290908     -9.61266856
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  H     15.02512428      9.98981085    -11.09876338
  O     15.44679296     10.14165667    -17.76788542
  H     16.61882888      7.13248281    -16.84135459
  H     17.22472579     13.31341830    -14.07934991
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  H     13.44424755      6.66555026    -15.56561853
  H     15.86377895     12.57542920    -14.09857703
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  H     12.41928326      7.56903909    -16.28736808
  H     12.62620060     10.32604684    -16.18399267
  O     13.38557627     10.91619739    -16.10964590
  H     18.29833219      9.86068367    -15.29384093
  H     14.01782584     10.70127730    -16.81299027
          69
 Energy    -248.91666127002867     
  O      3.47993243     -6.76083834      3.37847510
  H      2.86682644     -7.34792841      2.91492454
  H      1.62498994     -6.62186250     -3.31202295
  O      3.20890722     -2.01470793     -1.32087629
  H      3.08290488     -5.88105713      3.32948816
  H      3.54075856     -5.89736861     -2.66377820
  O      0.87660540     -7.78899399     -2.23914413
  H      2.85063260     -1.11908759     -1.30498122
  H      4.65606079     -5.11357508     -1.88067650
  O     -0.44636953     -4.40767501      3.06269991
  H      2.58762308     -2.54760044     -1.83626528
  H     -0.62024486     -1.71174061     -0.94839140
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  H      1.40337292     -8.39500329     -1.70408654
  H      0.12186740     -1.99030748     -2.27754696
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  H      0.06427116     -7.62013087     -1.74806232
  H      3.52119248     -2.28022551      0.48284350
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  H      0.52036142     -4.35412995      2.96715888
  H      4.58481049     -2.80851175      1.46575242
  O     -0.63563895     -2.58225528      0.87932057
  H     -0.64095344     -4.22520340      3.97912390
  H      1.46391956     -5.36085233     -0.19367674
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  H      2.27621140     -4.85350957      1.75418879
  H      2.94635003     -5.75094436     -0.48791489
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  H     -0.35045960     -3.98195184     -0.18140750
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  H     -0.70303377     -5.39584844     -0.79887272
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  H      1.64875894      1.25145446     -1.50028279
  O      4.12081300     -5.92057587     -1.89459047
  H      4.97376948     -6.70054378      2.50501508
  H      0.93461907     -0.11796047     -1.39437843
  O     -0.31490922     -1.29777619     -1.76446643
  H      6.44720488     -7.15742623      2.42411323
  H     -1.34129876     -7.10161037      0.22770851
  O      3.74956993     -2.32835257      1.42352419
  H     -0.76981673     -3.12608436      1.66457665
  H     -2.38659490     -7.34259182     -0.88960590
  O      2.28254651     -5.68290973      0.20823668
  H      0.05244143     -1.94090793      1.11800029
  H     -0.80394970     -6.14941115      2.32763689
  O     -0.06927552     -4.66964299     -0.80143516
  H      5.15987880     -7.67261988      0.41614935
  H     -0.02696629     -7.43060220      1.92485070
  O      1.71680734      0.38652036     -1.10611802
  H      4.66910087     -7.38097929     -1.01048486
  H      1.88723216     -8.72122774      0.98406868
  O     -1.48865894     -7.06285385     -0.73502585
  H      2.71658804    -10.43547729     -0.83302646
  H      1.91904461     -7.19430089      1.09097945
  O     -0.89500562     -7.00378883      1.89038720
  H      3.37405228     -9.06785324     -0.53425668
  H      5.97539748     -4.88560340      1.48452890
  O      1.69818379     -7.99719987      1.59111639
  H      0.76837668     -3.89468678     -2.09631236
  H      6.94899272     -3.69811984      1.62116797
  O      6.09524923     -3.94710918      1.27277190
  H      1.60660071     -4.17761080     -3.34301139
  H      1.49939113     -0.22328155      0.70525331
  O      1.37284257     -0.77897475      1.48463531
  H      2.12972603     -6.32883412     -4.74396726
  H      2.22822685     -1.19765751      1.64228683
          69
 Energy    -248.91638812309989     
  O     -7.87972169     -1.69998278      6.36515137
  H     -6.94730914     -1.50153259      6.49421193
  H     -4.41976911      0.40343740      1.42747031
  O    -10.48233803     -1.23205095      2.71112532
  H     -8.38047317     -0.91270893      6.62825436
  H     -7.06959650     -0.52600236      3.46079467
  O     -8.94212481     -3.04805399      4.30706604
  H    -10.03656030     -1.88401700      3.26409586
  H     -6.89632397      0.70892244      4.41068652
  O     -5.66499440      0.33674541      0.07769009
  H    -10.51675298     -0.41365081      3.22902585
  H     -4.72452446     -1.23646985      5.62871763
  O     -5.95922165      1.52280723      5.84505582
  H     -9.29150691     -3.87401262      4.63005782
  H     -4.45114394     -1.40426377      7.14374812
  O     -5.11756663      4.90680949      0.41853637
  H     -8.58744741     -2.57373954      5.08290664
  H     -0.94771094      2.29621193      0.77450037
  O     -9.36849299      0.58315526      6.85072532
  H     -6.02655890     -0.54062668     -0.08285860
  H     -2.16644750      3.02953572      1.38658651
  O     -4.30997145     -1.52169719      3.98262371
  H     -6.40548607      0.85076820      0.43463438
  H     -8.70385537      3.60022630      5.14783576
  O     -4.20687022      2.61981645     -0.76096043
  H     -5.37454991      1.94498571      5.19811936
  H     -8.33498199      3.86813433      3.67114464
  O    -10.00928459      1.06666792      4.14267499
  H     -5.54967924      0.70906036      6.16438915
  H     -6.91391074     -2.25298652      1.86883799
  O     -7.30312669     -2.01635312      0.03461184
  H     -4.84078065      4.10851003     -0.06568821
  H     -7.48314216     -2.65644082      3.26625186
  O     -3.77315268      0.53970736      2.13383862
  H     -5.21890269      5.59968642     -0.22873533
  H     -9.98903658     -0.82809367      1.13729374
  O     -7.36020679      0.37729524      3.63370958
  H     -8.96162235      1.43702715      7.03573068
  H    -10.41495406     -0.39856610     -0.28857023
  O     -5.05533542     -1.01415789      6.51827964
  H     -9.80015651      0.70218085      5.99414722
  H     -7.61162662      3.65174621      7.53562454
  O     -1.89186024      2.23747050      0.89006712
  H     -5.07551819     -1.92754103      3.55279571
  H     -7.19566139      2.55045515      6.53318428
  O     -9.07394461      3.67228332      4.25847916
  H     -4.00336220     -0.83287310      3.37920727
  H     -3.47084680      3.86946816      2.92625351
  O     -6.72856839     -2.25367956      2.81488472
  H     -3.34721069      2.45810245     -0.35217888
  H     -3.63373062      4.71442201      1.65516727
  O     -9.65316043     -0.55510862      0.26264406
  H     -4.71127629      1.80532546     -0.64053546
  H     -4.42667765      1.90522002      3.18038828
  O     -7.94554986      3.08851177      6.84229131
  H     -9.90069717      2.02771228      4.11723268
  H     -5.48594348      3.04963122      3.28469164
  O     -2.96880370      4.33599223      2.24383135
  H     -9.11102082      0.72136595      4.02418628
  H     -7.70953797      1.12893553      2.09801204
  O     -4.70599336      2.66468660      3.71129273
  H     -7.41099830     -2.73013423     -0.58959795
  H     -8.60296363      0.96800755      0.84335789
  O     -7.88785380      1.49461605      1.21462828
  H     -8.14437764     -1.53111065      0.05466682
  H     -6.35720875      4.30679872      1.69829401
  O     -6.87169781      3.80855065      2.34594573
  H     -3.02025882      0.99399107      1.73517804
  H     -7.30820690      3.09557226      1.85714336
          69
 Energy    -248.91571779194570     
  O     12.00408898     11.89027858    -15.81268531
  H     11.22471184     12.34474335    -15.50458428
  H     14.98484829     10.48199091    -12.33529915
  O     14.65354580     10.19950184    -19.63513729
  H     12.14642420     11.13682900    -15.21240314
  H     17.92841456      9.52902114    -14.53876155
  O     11.79156352      7.62707127    -17.01463814
  H     14.31546422     10.28455652    -20.52297479
  H     17.13574579      8.22892506    -14.15761407
  O     13.39663054      7.83439738    -10.39012843
  H     13.87790232     10.23693645    -19.04436333
  H     14.72979826      5.30350801    -11.18932157
  O     14.82907375     12.12936250    -15.68011440
  H     12.43115207      6.92330096    -17.17372590
  H     15.90882907      5.24717255    -10.18797543
  O     17.26662518     10.93372965    -18.87651999
  H     11.48673717      7.49016482    -16.10977762
  H     14.02620898      4.95585305    -17.79203312
  O     18.50680222     11.24912209    -14.17698005
  H     13.72657621      8.59173134    -10.89368983
  H     14.49877164      6.42604873    -17.68109572
  O     13.36627261      4.63427529    -12.07381538
  H     14.12827419      7.20720530    -10.35210725
  H     15.42171400      8.29127573    -12.72454678
  O     12.51559520     10.12513157    -18.02900317
  H     13.88527819     12.30150234    -15.76281705
  H     15.92369103      6.90995279    -12.23878991
  O     15.00980429      9.34569301    -15.88720664
  H     14.93258631     11.17702453    -15.83015434
  H     10.56334676      6.46740215    -10.81710161
  O     15.33707540      7.79949733    -18.30081623
  H     16.34588960     10.74822464    -19.11679177
  H     11.98127888      7.04203337    -11.04196384
  O     14.41808998      9.71176483    -12.18452542
  H     17.70675536     11.20539815    -19.67954786
  H     14.14188906      5.84730701    -15.40289618
  O     17.53680673      8.71826428    -14.88956453
  H     19.34900711     11.62496544    -13.93620501
  H     14.74436220      6.52010378    -14.11378982
  O     15.44000958      5.82930916    -10.77926790
  H     18.22761149     11.68545502    -15.00284282
  H     17.91894878      8.45306198    -16.69360943
  O     13.97015145      5.73502891    -17.24504880
  H     12.56177355      5.11292145    -11.83963463
  H     17.86299167      9.28584364    -18.00013852
  O     15.92120073      7.50697736    -12.99703630
  H     13.58713684      4.92327438    -12.97096352
  H     13.47664540      9.48594135    -14.92315204
  O     11.26814130      6.52324049    -11.45651958
  H     12.20478497      9.26793612    -17.70185891
  H     12.20518782      8.86345817    -14.27240189
  O     14.03511580      5.95737494    -14.45033908
  H     12.26968989     10.78096326    -17.36835716
  H     12.41457290      6.74200311    -14.29410630
  O     17.91115524      8.38466993    -17.65888481
  H     15.87947942      9.15994149    -15.50825774
  H     11.28353775      6.98825432    -13.27764914
  O     12.70578472      9.68439690    -14.36866857
  H     14.96268543      8.85843904    -16.71598676
  H     17.49103239     11.92200286    -17.28686241
  O     11.56447588      7.19415508    -14.17733201
  H     16.28760468      7.88733608    -18.12510133
  H     16.56018066     12.48228435    -16.20131164
  O     17.49328939     12.36093357    -16.42844399
  H     15.08349427      8.51087739    -18.89872698
  H     15.49092041     12.05755308    -13.87512029
  O     15.92988818     11.81632050    -13.04927602
  H     13.72505122      9.75367661    -12.85721987
  H     16.85319791     11.66623350    -13.28284308
          69
 Energy    -248.91506705750976     
  O     16.18230999     10.19574070    -16.66872368
  H     16.24665001      9.70209407    -17.49422069
  H     17.20765220      5.07623998    -12.39259036
  O     15.87811400      4.82717784    -13.49501172
  H     15.25160265     10.25560136    -16.40683935
  H     19.59967499     10.82246246    -16.07933342
  O     19.64290868      8.79684247    -13.97019999
  H     16.23994822      5.03655547    -14.36874324
  H     21.06544419     10.75625281    -16.57340236
  O     14.93982742      6.75499085    -17.50694303
  H     14.99770251      5.21508207    -13.47555868
  H     16.75120136      8.97420816    -15.41858491
  O     16.61536206     10.13129819     -9.43576023
  H     18.72812275      8.62018786    -14.24524724
  H     16.40289268      8.29081739    -14.05378510
  O     15.18149243      8.23937044    -12.72421233
  H     20.05183422      9.27478275    -14.70063394
  H     13.33481166      9.30021137    -15.61392718
  O     17.12158914     11.92742092    -13.00128591
  H     15.45115415      7.34341191    -18.07468268
  H     13.79758416     10.46982306    -14.69624656
  O     19.97242109      6.04479800    -13.74848497
  H     15.59704134      6.27023674    -16.98806242
  H     17.45688116      6.88631091    -11.03719510
  O     13.35569407      6.28698594    -13.53992845
  H     17.38112402     10.50311909     -9.88199081
  H     16.34576151      7.88156060    -11.44042921
  O     19.70152653      5.59024751    -16.40062728
  H     16.65483146      9.19083212     -9.66301580
  H     13.58769559      7.19667221    -16.55816639
  O     16.95366449      5.78474722    -15.86615161
  H     14.83585888      9.14039709    -12.78643352
  H     12.06024839      7.43547762    -16.53713144
  O     17.97829787      5.25757647    -11.82537888
  H     14.47882746      7.61453187    -12.93675606
  H     19.09611913      9.64254370    -12.43971005
  O     20.33377320     10.21563538    -16.28932996
  H     17.62190482     11.23771564    -12.53251706
  H     18.08042560      9.19132634    -11.38025401
  O     17.04692312      8.31827007    -14.77352998
  H     17.24252878     12.73693395    -12.50953916
  H     13.68619775     11.46639251     -9.51894646
  O     13.66504737     10.20518799    -15.61672178
  H     19.98377342      7.01234212    -13.72387189
  H     15.03131390     10.84252787     -9.92435816
  O     17.06469092      7.73544602    -10.80574815
  H     19.33717113      5.76407629    -13.08009233
  H     19.37499832      7.24242257    -17.30378037
  O     12.83748370      7.43917000    -15.98409930
  H     12.54121777      5.97751190    -13.15099189
  H     19.57346386      8.77890413    -17.27704345
  O     18.53940732      9.97179751    -11.72026615
  H     13.13146938      6.64838743    -14.41314440
  H     15.35769242     11.28037298    -13.10842631
  O     14.20403652     11.20924321    -10.27697193
  H     19.85076521      5.71365691    -15.44545214
  H     14.24279047     11.05783981    -12.06202567
  O     19.12332012      8.06361692    -17.74259559
  H     20.31080848      4.91635786    -16.68885006
  H     17.89528460     11.88200333    -14.74759306
  O     14.48228362     10.88908142    -12.98582660
  H     17.84727287      5.55517003    -16.14426958
  H     17.47146020     11.30153974    -16.10390110
  O     18.20566139     11.74118715    -15.64885240
  H     17.01202622      6.67972577    -15.49420452
  H     17.57993620      8.32472954    -18.49202794
  O     16.69964328      8.52016934    -18.86263360
  H     18.13399711      4.46538740    -11.31685970
  H     16.82819645      8.71213598    -19.78739061
          69
 Energy    -248.91491557116871     
  O      0.21657389      1.27616375      2.60398013
  H      0.88220557      0.94905040      1.97941686
  H     -3.06713936      4.78563704      0.00940988
  O     -2.53356635     -0.50760757     -3.46741617
  H     -0.63438901      0.91472788      2.31031840
  H      0.12908573      2.93869089      1.63776373
  O     -0.16704591     -0.43646908      4.83867804
  H     -2.19212555     -1.39757431     -3.31510512
  H     -0.83833410      3.89444270      0.89606501
  O     -4.34665046     -0.53941857     -1.38608253
  H     -1.85822025      0.08810109     -3.11727236
  H     -3.52383628      0.97082497     -0.79149866
  O     -1.59949631     -3.05404041     -2.47386326
  H      0.22155922      0.03183158      4.08783560
  H     -2.06725915      1.46467979     -0.96883379
  O      0.23957349     -1.54460700     -0.86765065
  H     -0.75885820      0.20998919      5.23485336
  H     -2.81542110      0.20642752      2.50990485
  O     -3.58604877      3.48408950      3.20320214
  H     -3.88368612     -0.47083962     -2.23407827
  H     -2.51628211      0.71364812      1.05090421
  O     -3.74179653     -2.55840818      3.84230718
  H     -3.98779465     -1.33144601     -0.96359725
  H     -2.50515723     -2.76322123      0.34884945
  O     -0.62901164      0.92656213     -1.88535329
  H     -1.59029910     -3.91208733     -2.89131769
  H     -4.01258882     -3.08773486      0.33035031
  O     -5.78998712      1.66938268      2.82503614
  H     -2.24221623     -3.10599284     -1.74722833
  H      1.48205769     -0.36028255      0.06396630
  O     -3.77978919      0.19626311      4.10704672
  H     -0.18425349     -2.09954413     -1.53262321
  H      1.88150179      1.12054005     -0.04794800
  O     -2.69491718      4.12577206      0.58930634
  H     -0.13313362     -1.83433517     -0.02112437
  H     -2.37434922      2.66598389      4.24992378
  O      0.08703745      3.63194504      0.96764837
  H     -4.38224969      2.96687576      3.03172967
  H     -0.99816003      1.99285841      4.10172400
  O     -2.88864845      1.62890599     -0.48078634
  H     -3.28805438      3.80210699      2.34230066
  H      2.07673956      3.28249185     -1.50155692
  O     -2.17879105      0.18718425      1.78533143
  H     -2.82197516     -2.80388836      3.98890738
  H      0.98926523      3.09238204     -0.41474865
  O     -3.25622278     -2.91481597     -0.24414467
  H     -3.79967420     -1.61343503      4.04591267
  H     -0.63340246     -2.08198557      4.43222481
  O      1.84109410      0.37898332      0.56900251
  H     -0.31975070      0.09037620     -1.50856885
  H     -0.42886709     -3.59984310      4.63699835
  O     -1.76865466      2.03819934      4.67790588
  H      0.09115164      1.56008872     -1.77929779
  H     -1.51618352     -1.39933441      1.54714677
  O      1.45342806      2.65291155     -1.15053910
  H     -5.84459339      1.00055069      2.11936317
  H     -0.96643764     -2.64952884      2.27926488
  O     -0.91228451     -2.96079614      4.12017849
  H     -6.68759036      1.88842953      3.06204059
  H     -5.95379710     -3.67149724      1.91434104
  O     -1.12765244     -2.27838750      1.40519816
  H     -4.54497631      0.70427976      3.80827801
  H     -4.73315296     -2.90645246      2.48114824
  O     -5.28476467     -3.03138166      1.68704365
  H     -3.12397013      0.82389120      4.44231511
  H     -5.75097051     -1.22233761      1.27240997
  O     -5.86077835     -0.31061357      0.97625323
  H     -2.84347889      3.26253132      0.16608894
  H     -5.50862735     -0.28793614      0.07783394
          69
 Energy    -248.91477343959673     
  O     12.17114237     12.07582045    -13.51629565
  H     11.83961799     11.17137526    -13.46240233
  H     20.56223309      8.40815978    -13.92833893
  O     19.81749496      7.85927576    -10.75703105
  H     12.30275781     12.36545562    -12.60462735
  H     17.72668269     12.79034791    -15.36139666
  O     17.19685766     11.08171132    -11.09356785
  H     18.94969800      8.08249933    -10.39863571
  H     18.54040409     12.57058683    -14.07470052
  O     13.11112064      7.11480556    -13.79431457
  H     19.69062571      7.07197255    -11.30203679
  H     15.90227660     10.63066016    -12.25601356
  O     16.73896009      6.60165952    -12.23735836
  H     17.89331742     11.10949704    -11.76522861
  H     14.98530817     11.06803850    -13.44135272
  O     14.09756331      6.26227105    -11.30827838
  H     17.21741101     10.20166367    -10.69206805
  H     13.97116729      8.85637747     -9.71570700
  O     19.37562031      5.83799819    -12.75522143
  H     13.33522126      6.75769711    -12.92110221
  H     14.01171843      8.21464252     -8.30895991
  O     14.62481427     12.41836612    -14.64888915
  H     12.49089208      7.83378861    -13.63769439
  H     20.72984678      8.94423684    -11.76970556
  O     17.84181613      9.39852085    -15.22254346
  H     17.59671556      6.22025073    -12.45719883
  H     22.06297099      9.64489058    -12.13177657
  O     17.07448346      8.44811710    -10.20292077
  H     16.40829636      7.05957298    -13.02366516
  H     16.85913248     14.14264640    -13.81400480
  O     16.58044802     11.64038783    -16.42821019
  H     15.01968727      6.18967938    -11.59175746
  H     16.08602500     15.46703102    -13.60580522
  O     20.06743739      7.80197452    -14.49348662
  H     14.12684248      6.80255534    -10.51222329
  H     15.69544572     13.77494088    -11.74662462
  O     18.11602423     13.25480242    -14.61062670
  H     19.62777479      6.47809334    -13.44478632
  H     16.10039943     12.56991358    -10.86751071
  O     15.18227384     10.34442003    -12.83396728
  H     19.79973573      5.01296173    -12.97389657
  H     13.76372273     12.94224783    -10.81040058
  O     14.44182115      8.21231191     -9.16033771
  H     14.99859336     13.20874198    -14.23795861
  H     12.40393751     13.35205701    -10.19587307
  O     21.17440529      9.49341110    -12.44098282
  H     13.69608725     12.35228934    -14.37878982
  H     18.56354585     10.40597706    -13.86051085
  O     16.05250986     14.53073262    -13.42901243
  H     17.47799614     10.11704389    -15.75354363
  H     19.80403667     10.59072127    -12.94210332
  O     15.44536533     13.27465565    -10.95997593
  H     17.09071651      8.83500943    -14.98376944
  H     10.57128892      9.04510219    -12.60045138
  O     12.81695959     12.71218095    -10.76874024
  H     16.26690404      8.37158997     -9.68160276
  H     11.98367386      9.45011774    -12.12633816
  O     18.96997187     10.99645244    -13.20980028
  H     16.96655138      7.82553084    -10.93866178
  H     13.93135800     10.01325779    -11.60453247
  O     11.42374756      9.34276922    -12.91192453
  H     15.81793193     11.86274803    -15.86739089
  H     13.02921898     10.88797110    -10.70548972
  O     13.25649079      9.97088273    -10.90782240
  H     16.29463325     11.74787779    -17.33214879
  H     15.48395185      8.88271287    -13.77088342
  O     15.62057939      8.07512975    -14.29096624
  H     19.35126457      8.31825200    -14.88623221
  H     14.75392831      7.64457376    -14.31559045
          69
 Energy    -248.91462359905344     
  O     -6.94122243      2.55021733     -0.41392062
  H     -6.15116098      3.11884933     -0.39058450
  H     -5.74619290     -2.12411753     -0.38015993
  O     -3.08506903      4.34924924     -2.73997884
  H     -7.68897203      3.11028562     -0.22373982
  H     -4.25160993     -2.71457435      1.37444789
  O     -5.60009232      0.60554432      1.13363670
  H     -2.23116972      4.21660320     -2.29188464
  H     -3.52499740     -3.78795407      2.22009553
  O     -2.03371805     -2.06478941     -0.52188688
  H     -2.98137583      5.09439334     -3.32568362
  H     -1.79469130      3.18482142      0.13310336
  O     -0.07171331      1.11889644     -1.78932898
  H     -4.81879137      0.54441586      0.56084707
  H     -2.57890463      1.89836838      0.47650549
  O     -3.70014820      1.61611415     -3.03323558
  H     -6.19222902      1.23646550      0.70880899
  H      2.56158277      0.62636771      2.49544086
  O     -3.12343768     -1.97997802     -3.02507985
  H     -1.23171989     -1.63318852     -0.19684091
  H      1.48496237      1.57154046      1.90814962
  O     -1.58232933      0.01443013     -3.93369812
  H     -2.45395592     -2.49102545      0.23666722
  H      0.70404397      3.59889498      1.41540166
  O     -0.83479502      3.72291706     -1.36538296
  H     -0.18363663      0.58217565     -0.99079093
  H     -0.56320221      2.79989871      1.79035748
  O     -0.13634945     -0.39133319      0.55734125
  H     -0.52210456      0.67431884     -2.51646087
  H     -5.45391470      1.08967101     -2.82991239
  O      2.43898365      2.09104396     -0.84945376
  H     -3.50368391      2.56070922     -3.03276166
  H     -6.62172919      1.34393282     -1.85330100
  O     -5.66368602     -2.12786049      0.58093005
  H     -2.97597751      1.15867075     -3.47896718
  H     -2.51961579      0.05929990      2.86160861
  O     -3.38956012     -2.96994939      1.75040135
  H     -4.07122648     -1.99174444     -2.84921516
  H     -2.44925906     -1.43200664      2.45227632
  O     -2.29776188      2.75448553      0.83698691
  H     -2.69521817     -2.16045498     -2.17421834
  H     -6.56353750     -2.39191214     -2.73643826
  O      2.11051753      0.85687817      1.68798126
  H     -2.12802064     -0.74731576     -3.66121433
  H     -6.08843369     -0.97044874     -2.36126274
  O      0.36594253      2.92241667      2.01525475
  H     -1.22571804     -0.19654358     -4.79222486
  H     -3.48091700      0.84174838     -1.35258117
  O     -6.30817601      0.74217913     -2.53841816
  H     -0.05904442      4.15994108     -0.99311333
  H     -2.94073043     -0.35985280     -0.50727778
  O     -1.91345687     -0.64180974      2.58632492
  H     -0.57944973      2.80828468     -1.56523480
  H     -4.21268348      4.22878673     -1.19096590
  O     -5.88102322     -1.91740577     -2.26812989
  H      0.71444296     -0.12972910      0.92474272
  H     -3.93374734      3.64950380      0.20363260
  O     -3.32365902      0.52288115     -0.45475442
  H     -0.75905434     -0.42311934      1.30387655
  H     -4.46737793      1.19110062      2.53730663
  O     -4.63727801      3.99643290     -0.35669808
  H      2.50760291      1.59920220     -0.02013999
  H     -3.24450772      2.12090105      2.48879168
  O     -3.68969304      1.46896121      3.04108772
  H      1.69982334      1.69410551     -1.32891398
  H      1.94135011      3.70857734     -0.39936668
  O      1.50336139      4.52735693     -0.10191696
  H     -5.80207266     -1.21394095      0.86595110
  H      2.17012993      5.20762756     -0.07719381
          69
 Energy    -248.91457416484528     
  O     13.29773669      7.48642724    -10.36776948
  H     13.49189515      8.33235429     -9.94955527
  H     14.68727979      6.82376872    -17.07828736
  O     15.57880380      4.95433072    -12.18681795
  H     13.82687490      6.81290683     -9.90918066
  H     16.24797931      9.58847316    -15.10752410
  O     14.33495477     11.16775174    -11.82432502
  H     15.59095348      4.60533375    -13.09012192
  H     16.25479095     11.05092341    -14.58436108
  O     16.84226654     11.88095499    -13.04061472
  H     15.55674680      5.92169661    -12.24562690
  H     16.03771319      8.13953887    -11.52012796
  O     11.61671899      8.13041030    -17.13645463
  H     15.17483889     11.47599297    -12.18460461
  H     14.57993109      7.71661038    -11.75248057
  O     17.61291015      6.47593101     -8.85374334
  H     13.84843672     10.78993635    -12.56858447
  H     15.83194562      5.79083951     -9.09584389
  O     12.73617812      7.35081462    -14.69521205
  H     17.27945114     12.72423738    -12.95813563
  H     15.16805006      5.08879890    -10.29049871
  O     13.30882653     10.06214472    -14.20975379
  H     17.45241949     11.21126126    -12.68213228
  H     17.43152308      5.23809753    -11.70151986
  O     14.41231345     10.40338571    -17.64176787
  H     11.84797169      7.74058126    -16.28059883
  H     18.55805756      6.24320110    -12.03760441
  O     15.49522416      4.14028712    -14.80851225
  H     12.35766288      7.93112641    -17.72073957
  H     12.66780551      6.34411054    -11.68184232
  O     16.60724535      7.87557479    -14.63690136
  H     18.23824437      6.17118301     -8.20220368
  H     13.47328822      5.23676182    -12.38079463
  O     14.83096792      6.44162066    -16.20449037
  H     17.92324742      6.15049906     -9.71897380
  H     18.74497117      9.16046676    -12.46325070
  O     15.88534649     10.47212231    -15.26283003
  H     12.61687620      6.78241475    -13.92161947
  H     17.96140092      9.63773868    -11.22055112
  O     15.44482102      7.75658732    -12.17949179
  H     12.92770193      8.24744920    -14.39014429
  H     19.73365049      7.33839782    -14.00785972
  O     14.97717469      5.50606854     -9.44048838
  H     12.70053885     10.40850792    -14.87531045
  H     18.21053315      7.59428572    -13.93781535
  O     18.23377226      5.64596710    -11.35277801
  H     14.19750386     10.17924972    -14.57543282
  H     16.02232477      9.26424908     -9.65256458
  O     12.67776802      5.77052417    -12.46205207
  H     13.54438414     10.68294195    -17.32587591
  H     17.09119763      8.12827300     -9.48096643
  O     18.42058983      9.94865883    -12.01460766
  H     15.01693417     10.52066300    -16.89619910
  H     14.30876779      7.80842020    -19.46551041
  O     19.01442816      7.49329126    -13.40009607
  H     15.27356326      4.88425426    -15.38975628
  H     14.29836555      8.77561723    -18.25854614
  O     16.84279921      8.89901183    -10.00759399
  H     15.20504616      3.35388977    -15.26468435
  H     13.94786702     10.56274121     -8.76180381
  O     14.14899914      7.85079358    -18.52673300
  H     16.13256763      7.88388586    -13.78950416
  H     14.27833667     10.44198009    -10.27059028
  O     14.30243221      9.96888677     -9.41752352
  H     16.08574681      7.34562610    -15.25315676
  H     11.01725599     11.26628053    -16.70390661
  O     11.79869965     10.76475922    -16.48932808
  H     14.07846895      6.71811112    -15.65661587
  H     11.62533786      9.84377557    -16.75611331
          69
 Energy    -248.91446571519310     
  O     14.79178898      9.26752012    -10.49240550
  H     14.39053136      9.94323267    -11.05550905
  H     13.82126197      7.84989955     -9.91990143
  O     12.19091021     10.44376225    -15.72861508
  H     15.62012350      9.60309716    -10.12739684
  H     17.43613596      8.12819765    -13.20867910
  O     16.06741075     11.56590295    -13.59911473
  H     12.08674540     11.23868048    -15.19078301
  H     17.71109451      8.86229271    -14.54727603
  O     14.19668558      4.50841223    -13.18678394
  H     12.18377934      9.70516223    -15.10672504
  H     13.16494484     13.00103549    -14.54407204
  O     17.88975483      7.12273832     -9.29684014
  H     16.82615817     11.39762034    -13.02190211
  H     11.85901204     13.55901609    -13.92714842
  O     14.66562887     13.11763640    -15.43914479
  H     15.26958426     11.26891149    -13.14276576
  H     12.35489122      7.74971927    -13.17197021
  O     15.94718863      7.48368929    -12.32163114
  H     14.82397057      4.47245115    -12.45063671
  H     13.38537080      8.13416009    -14.24985050
  O     13.61186235     10.77276863    -12.47233165
  H     14.74525105      4.60291514    -13.97324310
  H     14.15549790     10.90365769    -18.19685941
  O     18.18726115     10.73646764    -12.08793771
  H     17.11406113      6.63979276     -8.98415310
  H     13.59300299     10.67726619    -16.77478916
  O     18.47118447      5.68268170    -14.02922368
  H     18.32598476      6.55011824     -9.93690650
  H     11.42440180      5.63313288    -12.16724859
  O     16.12471845      5.05902480    -15.26927752
  H     14.64478595     12.50340021    -16.18248511
  H     12.90597597      5.54989933    -12.59279516
  O     13.44234456      6.98098350     -9.72125104
  H     15.29178766     12.73668782    -14.80564081
  H     15.24672807      5.27698055     -7.76073287
  O     18.14413346      8.44752243    -13.79028562
  H     15.52289680      8.10442989    -11.71607561
  H     14.71534644      6.14328269     -8.92844451
  O     12.36715134     12.76061161    -14.03867204
  H     15.45399116      7.48306154    -13.15266551
  H     16.05690516      5.84346183    -11.60476458
  O     12.63949587      8.47937615    -13.73360411
  H     13.25802402      9.97028499    -12.88431175
  H     15.83778622      5.04575205    -10.28894318
  O     14.40001020     10.89322530    -17.27535018
  H     13.12242748     11.51254557    -12.85207716
  H     17.87014690      4.89496595    -11.23497001
  O     12.23565929      6.13490331    -12.19799155
  H     17.98971533     10.41673899    -11.19966318
  H     19.26754765      4.32271802    -10.89915222
  O     15.49963719      5.67273138     -8.58980831
  H     18.39750473      9.95738183    -12.61885463
  H     15.43284054      8.26543053    -15.24676975
  O     16.09809786      4.95363757    -11.21413296
  H     18.53567635      6.64746354    -14.05930850
  H     15.29593452      6.70262149    -15.17843517
  O     18.82133893      5.10013862    -11.22749182
  H     18.71717393      5.44096817    -13.12941018
  H     17.61371477      8.83707490     -9.44364387
  O     14.88729133      7.53686362    -14.91749350
  H     16.32402759      4.53331813    -16.03946194
  H     17.70559870     10.21290078     -8.74308860
  O     17.37752356      9.77809850     -9.52609427
  H     16.97288076      5.22795374    -14.82181529
  H     15.82133273     10.08322608    -16.34951001
  O     16.37739059      9.73526446    -15.64110221
  H     12.99751189      6.68868006    -10.52480107
  H     16.31032847     10.38234877    -14.92145582
          69
 Energy    -248.91445170573797     
  O     17.93841136     10.60582721    -10.60747529
  H     17.54081388      9.82151517    -10.19476718
  H     20.89635465      7.29934070    -13.23452293
  O     13.98575386      6.54775910    -10.40613077
  H     17.74164361     11.33515258    -10.00470116
  H     16.60614299      6.72946471    -12.14021853
  O     17.15670532     12.22651282     -8.53889437
  H     13.93176412      7.48184902    -10.15587620
  H     16.73559923      7.16496926    -10.64565296
  O     16.74696665     10.20003398    -13.05523318
  H     14.89173150      6.38081055    -10.70701129
  H     20.58018717      9.43684030    -13.66246811
  O     20.17760563      9.01723935    -10.61710049
  H     16.25962287     11.95036037     -8.31958754
  H     22.11077787      9.61831526    -13.51478380
  O     20.07373301      8.83596983     -7.81514909
  H     17.72228810     11.84107838     -7.85592663
  H     17.08493096     10.02285175     -6.18502499
  O     19.40220772      6.32067148    -10.61287208
  H     17.19424616     10.41320389    -12.22245643
  H     16.37181545      8.66328220     -6.32885560
  O     13.64219300      7.69796766    -13.06637680
  H     15.81223522     10.39534794    -12.92119861
  H     18.89853473      8.83010498    -14.95266354
  O     14.58510937     11.06842874     -7.71129945
  H     19.45805834      9.66444594    -10.65925810
  H     18.30067622     10.00254933    -14.14277150
  O     13.94936302     10.32902595    -12.47672012
  H     20.69518829      9.12163563    -11.42419902
  H     16.76885350      8.06628333     -8.62164469
  O     14.10004893      9.33559231     -9.83098965
  H     20.24479346      8.94891319     -8.75984798
  H     15.77711709      8.80404891     -9.57681536
  O     20.43406746      6.45344449    -13.29627388
  H     19.87898736      7.90056384     -7.69408968
  H     19.21945550     10.12977833     -7.02141280
  O     16.69418010      6.39491132    -11.23637270
  H     19.61948481      7.26569951    -10.62256221
  H     19.32033106     11.24416994     -5.95748235
  O     21.35971468      9.16100204    -13.14701174
  H     18.47483500      6.22753675    -10.87523645
  H     14.30982171      5.77675206     -8.74716158
  O     16.21815782      9.59841659     -6.14008566
  H     13.56435967      7.16260379    -12.26868276
  H     14.01758445      4.83254018     -7.57278101
  O     19.10884842      9.69077558    -14.56912360
  H     14.51717274      7.50737201    -13.43444016
  H     16.53352977      8.44937925    -13.51292094
  O     16.68659743      8.48530161     -9.48741069
  H     15.11963492     10.51476541     -7.11237209
  H     17.05316155      7.24027390    -14.34083049
  O     18.72272155     10.84284184     -6.58305832
  H     14.00904232     11.58955372     -7.15796100
  H     19.86978997      5.30652536     -7.56201128
  O     14.64030842      5.48451832     -7.88484455
  H     13.28867371     10.88292924    -12.88444462
  H     19.38471987      6.03388927     -8.83423475
  O     16.35679457      7.52347841    -13.73619597
  H     13.75521933      9.41249115    -12.74634633
  H     17.62440692      6.58337244     -7.27934477
  O     19.33419330      6.03605125     -7.86398368
  H     14.14206429      9.98693443     -9.11681371
  H     16.06436272      6.43014097     -7.32345377
  O     16.78969393      7.03980832     -7.12011607
  H     14.02590004      9.80893523    -10.66957270
  H     19.26266283      6.67891770    -14.57645370
  O     18.61768348      6.93978883    -15.25812717
  H     20.16102502      6.23213997    -12.39811794
  H     18.81349028      6.42495754    -16.03601005
          69
 Energy    -248.91419476492516     
  O      4.60747443      1.95376448     -0.55351623
  H      3.99457647      1.26591958     -0.84193576
  H      0.45608322     -3.28788994      4.38814478
  O      6.28139553     -0.10601991      5.58226409
  H      4.11868725      2.49665674      0.07789386
  H      5.46620003      3.25684412      4.02049369
  O      5.94209294      4.36611283      5.38143078
  H      6.13102888     -1.05627269      5.66973779
  H      4.49800662      2.03494564      3.96730545
  O      1.49680968      4.16624462      3.64272854
  H      6.64707514      0.04342651      4.69960291
  H      4.59233178     -2.63258298      5.96611225
  O      6.88148731      0.58102912      0.02780453
  H      6.08451119      3.65512584      6.03379972
  H      5.82516268     -3.56741647      5.93786013
  O      3.16960672      3.11166083      1.60043591
  H      6.61421224      5.02369542      5.53443029
  H      4.53780108      0.33977228      5.12796004
  O      6.67318747      0.38981855      2.82251392
  H      0.83909031      4.85453624      3.58188060
  H      3.25717609      0.02890287      4.28302117
  O      5.21034385     -2.00219863      2.80995223
  H      1.01082947      3.32038356      3.64958717
  H      3.33858396      3.31679537      9.00637498
  O      2.37633241      0.41190613      7.22795189
  H      6.11430949      1.14588549     -0.17701824
  H      3.28321734      3.30194951      7.46100305
  O      2.94424908     -0.34103085     -1.02051924
  H      7.57239420      0.82408100     -0.58256056
  H      2.27159770      1.50755382      1.42333017
  O      3.06785612     -2.26770950      6.67878878
  H      2.55397710      3.60635301      2.15448777
  H      2.05004637      0.30393488      0.47446314
  O      0.94199183     -2.60292323      4.83930361
  H      3.93863358      2.95187895      2.16906157
  H      4.03635318      4.44272176      5.70774331
  O      5.11005713      2.57343332      3.43978772
  H      6.16069539      1.19476360      2.99364366
  H      2.59155463      4.20164474      5.20394419
  O      5.45135801     -2.78968311      5.53251905
  H      6.91152560      0.42874045      1.88815911
  H      5.11769614     -1.97579897      0.91268051
  O      3.68951892      0.69783687      4.82937384
  H      5.32758023     -2.40740686      3.67792918
  H      5.79853733     -1.00130300     -0.06379070
  O      3.49578585      2.76400150      8.24560683
  H      5.71634308     -1.17596673      2.81781182
  H      0.20570050     -0.90201259      5.40300241
  O      1.80238772      0.66571798      1.33446637
  H      2.76924281      0.58034262      6.35662106
  H      0.72938934      0.22126846      6.30752729
  O      3.13669380      4.25050711      5.99806740
  H      2.66161474      1.15326759      7.77303670
  H      2.28868784     -0.61270082      2.45989831
  O      5.09373934     -1.65853586      0.00134462
  H      2.64197548     -0.75475883     -1.82432298
  H      3.45794907     -1.56154173      2.91234638
  O      0.08182433      0.02965575      5.61684138
  H      3.66942038     -0.89154244     -0.67451052
  H      0.13528165      1.18331332      4.22733666
  O      2.56911989     -1.25123953      3.13077019
  H      2.86077194     -1.39776542      7.04496526
  H      0.56687092      1.29018897      2.73611334
  O      0.24365931      1.79835452      3.48729506
  H      2.30210706     -2.51324925      6.14423924
  H      5.26194168      2.30287351      7.58736315
  O      6.10245119      2.29862236      7.11237713
  H      1.49030791     -2.15714344      4.16899754
  H      6.20665089      1.42602084      6.71276255
          69
 Energy    -248.91398207783487     
  O     13.52216821     11.77962447     -8.32129215
  H     13.26140188     11.77642842     -7.40348039
  H     11.73362015     14.00273212    -12.97551405
  O     10.85849532     11.24005682    -14.72032861
  H     12.73667469     12.03385353     -8.83329661
  H     13.62953001     14.67648732    -11.32087419
  O     13.85642110      9.42500790     -9.95561457
  H     10.95821597     12.12389948    -14.33544754
  H     13.51256449     13.31446170    -12.02156040
  O     18.58492124     12.82441011    -13.00695736
  H     11.00276279     11.32784724    -15.67064779
  H     11.91945649     14.16203540    -15.22306195
  O     11.45172371     12.36621676    -10.03663664
  H     12.95349720      9.40163838    -10.29807733
  H     12.14577898     13.42789322    -16.55941748
  O     11.39587143      9.83506606    -11.26342071
  H     13.87341054     10.15984103     -9.33207557
  H     15.31506577     11.85061971    -12.35143927
  O     12.96323393      9.87178074    -13.48665080
  H     18.04496745     12.28631500    -12.39983371
  H     13.98237773     11.27566791    -12.94083375
  O     15.32434094     15.38697893    -10.89122175
  H     19.47462862     12.82095512    -12.66480873
  H     16.56835089     12.17131866    -15.29761141
  O      9.08059694     10.22966217    -12.85463450
  H     11.95230038     12.99011490    -10.58431044
  H     17.81360744     11.86453553    -14.46229532
  O     15.00008951     13.29024637    -15.19169277
  H     11.44670236     11.50948215    -10.48887800
  H     11.51490826     11.50052140    -18.26310780
  O     14.14705462     10.87372345    -16.54856678
  H     10.50753052      9.81761009    -11.63690275
  H     12.57111888     11.30135122    -17.14821987
  O     11.02355410     13.78458931    -13.59469744
  H     11.99472896      9.77947352    -12.02580190
  H     15.14493980      8.96630711    -11.04253069
  O     12.98538980     14.03616267    -11.64102128
  H     13.74397765      9.59170374    -13.98125135
  H     16.27709243      7.95373701    -11.31912251
  O     12.50875799     14.11386139    -15.98776438
  H     12.33374358     10.29023634    -14.08988311
  H     16.16505451     10.02520056    -14.65744845
  O     14.47495245     12.08631722    -12.76232134
  H     15.55858118     16.27440288    -10.63283917
  H     15.69332439      9.03890482    -13.56554046
  O     17.18350161     11.46241598    -15.07175335
  H     15.77373079     15.21640803    -11.73837073
  H     16.57272828     11.85566130    -10.66689843
  O     11.68483287     11.65961825    -17.33897606
  H      9.64473901     10.52024406    -13.59135132
  H     16.65958484     10.46019222    -11.41119338
  O     15.89937365      8.77374564    -11.62788501
  H      8.36573252      9.72722798    -13.23704732
  H      9.76381502     12.80081233    -11.00888163
  O     15.50575656      9.33993003    -14.46269774
  H     14.80025435     12.87508909    -14.33728930
  H      8.95493187     12.00169911    -12.04430176
  O     16.89477124     11.39375415    -11.45846697
  H     14.18480684     13.70965003    -15.50510022
  H     16.05259271     14.49758101    -14.01798163
  O      9.15388451     12.89890172    -11.75033535
  H     14.47992376     11.70515374    -16.18682933
  H     17.32866828     14.22933521    -13.19851587
  O     16.55552383     14.80552206    -13.25595826
  H     14.61904548     10.18303572    -16.07307142
  H     15.64971185     13.78558406     -9.86723737
  O     15.84898156     12.91893259     -9.49244797
  H     10.24507640     13.62084227    -13.04307701
  H     15.05091034     12.60991530     -9.04666431
          69
 Energy    -248.91344618063121     
  O     17.77764461      8.49875993    -12.31190863
  H     17.08070136      9.13820851    -12.52532729
  H     14.31494736      8.03469714    -14.41332587
  O     12.41679608     12.02654329    -10.94760667
  H     18.15907127      8.80267017    -11.47955043
  H     13.22157806     10.02895915    -14.96476647
  O     18.97188716      8.23348191    -14.74423174
  H     12.79154827     12.39614003    -11.76941369
  H     12.09318447     10.68187322    -15.79603294
  O     11.49886970      9.77332727    -12.41344171
  H     11.89167594     12.71455339    -10.54868389
  H     13.82319701     11.03193502    -10.33165224
  O     16.16900213      6.28680076    -11.81852889
  H     19.36670926      7.37268200    -14.85578429
  H     14.53148207      9.63762153    -10.07522225
  O     18.63541372      9.74018526     -9.96291569
  H     18.58143958      8.25025230    -13.85310253
  H     17.67256943      8.33933895     -9.03897390
  O     20.24814682     11.36963392    -11.60208429
  H     11.74499951     10.03700654    -13.30812354
  H     16.20480132      7.83909112     -8.98988212
  O     16.87070258     11.76287799     -9.10133218
  H     11.69598913     10.53410557    -11.85379990
  H     16.76323497     12.73614832    -14.35084179
  O     12.09958917      7.34905298    -11.37641524
  H     16.60693307      5.73076933    -11.15866473
  H     16.85132307     13.06191435    -12.82152636
  O     16.88920581      9.59193013    -16.15500020
  H     16.79080436      6.99249584    -12.04342157
  H     17.42317527      5.98082799     -9.22849991
  O     13.93414676      6.56755572    -13.48053038
  H     19.30791877     10.22533167    -10.46033146
  H     17.47878490      4.45942548     -9.01181435
  O     14.55660455      8.91260580    -14.74265750
  H     18.04014647     10.41884362     -9.61618682
  H     15.34467150     10.39103666    -11.83571069
  O     12.50323922     10.68418902    -14.93507576
  H     21.14350312     11.68460168    -11.50855221
  H     15.96306485     11.17713130    -13.02350412
  O     14.66265834     10.59520709    -10.13928576
  H     20.11571632     11.18795026    -12.54964989
  H     19.65837683      9.98224404    -14.47613710
  O     17.09534204      7.66309358     -8.66371760
  H     16.03982119     11.37456763     -9.42597705
  H     19.18760724     11.42183176    -14.74902515
  O     16.24036996     12.87304768    -13.55101227
  H     16.72037775     12.02372814     -8.19641330
  H     17.39537056     11.23996566    -15.98306446
  O     17.47896957      5.12785144     -9.69163890
  H     11.84488747      8.20756835    -11.75920383
  H     17.88976276     12.55400573    -16.63546724
  O     15.76148480     10.28937737    -12.69935667
  H     11.29038767      6.89047976    -11.16697204
  H     15.12799908      7.33186542    -10.70660108
  O     19.81411984     10.90275789    -14.23111204
  H     17.57335796      9.02435719    -15.77893063
  H     13.65717116      7.65533521    -10.41226087
  O     17.74913968     12.12840293    -15.79391891
  H     16.04812040      9.28564408    -15.79120279
  H     18.76268211     12.58616345    -11.49406314
  O     14.55821409      7.86015443    -10.12969066
  H     13.25015186      6.73949377    -12.82322167
  H     17.53981871     12.76236837    -10.58549676
  O     17.93606366     13.07576632    -11.40757094
  H     14.72343336      6.32302145    -12.97657662
  H     13.15334289     12.19223834    -13.94745071
  O     13.44165844     12.84247941    -13.29476054
  H     14.95613373      9.38883933    -13.99842231
  H     14.39134623     12.96867761    -13.42346037
          69
 Energy    -248.91317682563124     
  O     -1.76574305     -1.14796850      7.57692374
  H     -1.39493794     -1.08922712      8.45357251
  H      2.19340428     -3.72931165      2.26301777
  O      0.43829999     -0.69145942      3.77998117
  H     -1.10527122     -1.60135120      7.02409333
  H     -1.05859089     -1.36250948      1.36313843
  O     -1.82661982      0.90534353      3.42541631
  H     -0.01880430     -1.28373445      3.16188875
  H     -1.84779591     -2.48353102      2.11341203
  O      1.53499903     -4.45988253      5.13037884
  H      1.32488591     -0.56179269      3.42248938
  H     -3.08894861     -3.52781130      3.35842079
  O     -3.88293207     -2.65208367      6.43564719
  H     -0.99190998      0.44638410      3.59622903
  H     -3.80357794     -2.26088325      2.77154154
  O     -0.10273684     -2.41220058      5.84790896
  H     -2.20035356      1.08725320      4.30073728
  H      0.78398411     -4.06387850      0.31714900
  O     -0.32226140     -5.82839417      3.32201184
  H      2.11613035     -4.08346558      4.45100380
  H      0.08606989     -3.49201661      1.54452863
  O     -5.34635122     -0.58873655      5.45774450
  H      0.97438424     -5.08427217      4.65889201
  H     -4.69868026     -0.48168372      3.75215683
  O     -1.06455426      0.38368428      0.73580607
  H     -3.21059948     -2.18241646      6.94805978
  H     -3.37772004     -0.03038982      3.06088502
  O     -1.93861274     -2.31812868     -1.47574723
  H     -3.40363405     -3.30279906      5.91018233
  H     -0.26080136     -2.79872953     -1.38722666
  O     -4.12942553     -3.49203486     -0.05751036
  H      0.13296263     -1.73806913      5.19499632
  H      0.99192795     -3.22075854     -2.18741766
  O      2.83757575     -3.42660519      2.91521993
  H      0.53293157     -3.13631275      5.74400707
  H      2.43525417     -0.59125348      1.51417417
  O     -0.96549130     -2.14698531      1.92006136
  H     -0.28049328     -6.75790444      3.11029612
  H      3.62706574     -0.03136890      2.32789533
  O     -3.48812915     -3.15275146      2.56181732
  H      0.03136412     -5.35406708      2.55164692
  H      0.64944595     -0.14878649      0.21496350
  O      0.63896808     -4.23572917      1.25392674
  H     -4.89433431     -1.37809646      5.80702028
  H      1.27661371     -1.41229332     -0.42282944
  O     -4.19980841     -0.52142884      2.92564672
  H     -6.21265054     -0.56680693      5.85437833
  H     -3.74407011      0.04160729     -0.78344229
  O      0.68264858     -3.02704800     -1.30631444
  H     -1.38253208      0.78030958      1.55686602
  H     -3.31143680      0.98361376     -1.93547213
  O      2.86766420     -0.60432338      2.38721222
  H     -1.73588084      0.50660130      0.05274849
  H     -3.82868693      0.57109344      5.86292864
  O      1.48789975     -0.60465655      0.05942036
  H     -2.65335151     -2.79422961     -1.03556342
  H     -2.47712286      0.32409480      6.54302424
  O     -2.97831227      0.36395434     -1.29275674
  H     -2.23446162     -1.40314974     -1.54530311
  H     -1.42735227     -3.47914538      5.09856253
  O     -2.93830400      0.93136481      5.95118619
  H     -3.91053771     -3.49481281      0.89028249
  H     -1.56479140     -4.79105497      4.29894054
  O     -2.07668460     -4.09343400      4.72738466
  H     -4.65249437     -4.27259646     -0.22132232
  H     -4.81059181     -1.68574615      0.07626749
  O     -4.91746396     -0.73718844      0.21735631
  H      2.94726768     -2.48179292      2.75794725
  H     -4.77332272     -0.58443956      1.16162122
          69
 Energy    -248.91304533031519     
  O     -3.58848182      2.56479196     -1.54718292
  H     -2.99745957      2.09854596     -0.93587953
  H     -2.29882929      0.15260083      3.55660080
  O     -1.99359851      1.30072021     -3.58471197
  H     -4.34791825      1.98240607     -1.68087268
  H     -4.20148653      1.72573621      3.11111483
  O     -3.92184649      4.13912799      0.74148330
  H     -2.48659783      1.91939927     -3.03134888
  H     -5.58809602      2.38542292      3.29723138
  O     -1.13874728     -1.34378002      3.02220462
  H     -1.06983905      1.38923576     -3.32413259
  H      2.34241559      2.05839494      1.96270008
  O     -0.51326052     -0.65332527     -0.86266021
  H     -3.94595506      3.69310118     -0.11707407
  H      1.26277826      0.96069873      1.75275363
  O     -3.66159619     -0.84177704     -2.97482141
  H     -4.28550485      3.51938265      1.38358820
  H     -0.02011244      3.98338492     -0.11652369
  O     -3.09658546     -2.25526244      1.12085377
  H     -0.33784378     -1.17113387      2.50186980
  H      0.90089739      2.84446998      0.38099392
  O     -2.24848591     -2.76411098     -1.39414514
  H     -0.87217977     -1.92370994      3.73309967
  H      3.50454254     -0.03931000     -0.52542686
  O      0.60546548      1.36392962     -2.34266790
  H     -1.02153779     -1.42508998     -1.13765953
  H      3.91707558      0.44093722      0.87243649
  O      1.04728717     -0.81381076      1.37714376
  H     -1.13235397     -0.03203142     -0.44546452
  H      4.01388348      2.68453114      0.76595539
  O      3.28937762      0.83206526     -2.24276977
  H     -3.01174405     -0.18828757     -3.27503986
  H      4.91323818      2.64330278      2.02643631
  O     -2.76152797      0.97540096      3.74707401
  H     -3.18047419     -1.53925411     -2.51700443
  H     -4.93722397     -0.00933971     -2.22193061
  O     -4.93931827      2.15236089      2.63807183
  H     -3.76365254     -1.55485028      1.10319525
  H     -6.39606817      0.51497984     -2.22728973
  O      1.39127317      1.90610137      1.91175174
  H     -2.44647696     -1.99536163      1.78387089
  H     -1.18927947      3.62244541      2.08516064
  O      0.67028188      3.37253936     -0.39717722
  H     -2.17853956     -3.70054504     -1.55704748
  H     -0.18039849      2.50397785      2.46665519
  O      3.56708863     -0.32142070      0.39581398
  H     -2.58864995     -2.65783820     -0.48684817
  H     -4.95919298      0.72397998      1.45524271
  O      4.15869941      2.23075978      1.61609726
  H      0.54669187      2.11624425     -1.73636311
  H     -5.10263056      0.17910729     -0.00296051
  O     -5.57916467      0.54501504     -1.73803362
  H      0.24033584      0.59471302     -1.87793335
  H     -2.97571006      0.70273892      0.64526708
  O     -1.10894827      2.77124570      2.53120201
  H      0.52605518     -0.83350856      0.56011316
  H     -1.84557209      1.66934038      1.12600148
  O     -4.68995432      0.01619994      0.85602807
  H      1.97670741     -0.80761123      1.10402044
  H     -2.30191933      4.76458245      0.77150399
  O     -2.15000693      1.13405235      0.38466049
  H      2.33836316      0.98551126     -2.37558848
  H     -1.31743625      5.94283866      0.94867406
  O     -1.35795835      4.99716546      0.83315106
  H      3.64139795      0.55358761     -3.08441373
  H      2.55814674      3.52244736     -0.75745825
  O      3.49308558      3.28248559     -0.79532643
  H     -2.14779814      1.67958481      3.48512884
  H      3.54158274      2.51404337     -1.37919423
          69
 Energy    -248.91301497941492     
  O     12.84898643      9.76067141    -11.41834339
  H     12.46673478     10.54032321    -11.83878752
  H     14.18082122      8.80781140    -12.07965409
  O     12.98787646      6.88377080    -14.01394987
  H     12.12529091      9.23921453    -11.04404886
  H     13.40971332     14.93469664     -6.89577272
  O     11.66070524     12.10321802    -12.38944830
  H     12.94178159      6.21069637    -14.68892293
  H     13.88943974     14.47554678     -8.29352175
  O     14.39182567     10.58153014     -9.31827032
  H     12.69766204      7.71347086    -14.42564838
  H      9.70014695     11.72685457    -10.26232787
  O     14.45036019      6.74888612    -10.04172948
  H     11.24155952     12.36795941    -11.55976013
  H     10.88212187     12.14276727     -9.32559816
  O     13.34159096     15.84452839    -11.56996320
  H     12.42512077     12.66912554    -12.54898492
  H     11.71276329     10.01930269     -7.68698034
  O      8.81191386     10.23372307    -11.12812431
  H     13.83899745     10.27046271    -10.05311369
  H     12.52579377      8.71122889     -7.64759110
  O     14.00002814     13.46534539    -12.87843170
  H     14.53140213      9.82328360     -8.73729530
  H     14.88555420      7.81049770     -7.10892355
  O     15.04650374     14.61912977     -9.60447243
  H     13.60864071      6.40431083    -10.37528774
  H     14.41392695      7.63737052     -8.57279169
  O     10.75367618      8.38588294    -10.24499296
  H     14.84079354      7.20604981    -10.79432617
  H     16.15898081     11.65627885    -11.67245861
  O     11.39964329     15.05108335     -9.84612331
  H     13.21198713     16.75630692    -11.81587460
  H     15.33385844     11.69250466    -10.36580322
  O     14.88904435      8.25319882    -12.44779743
  H     12.58433544     15.59340643    -11.01075457
  H     12.08161640      9.51427956    -16.05917700
  O     13.14783525     14.43349605     -7.66325219
  H      7.86501369     10.13769671    -11.19088447
  H     12.97135152      9.97350498    -14.89016655
  O     10.28312943     12.45563126    -10.02005628
  H      9.15816383     10.20033827    -12.03807879
  H     10.53326094     11.05437070    -13.27404168
  O     11.62942649      9.05863958     -7.73811885
  H     14.60786127     13.07345521    -12.23427079
  H     10.63980603      9.77922566    -14.09841625
  O     14.38215012      8.23122596     -7.80001152
  H     13.80226415     14.35754990    -12.56705916
  H     14.09268074     12.02005723    -14.13455450
  O     15.74016898     12.25506958    -11.04245389
  H     14.59903073     15.12841832    -10.29187735
  H     15.07211578     10.84494966    -14.12043658
  O     12.29271304      9.32478106    -15.14756995
  H     15.43944228     13.85768387    -10.04874484
  H     16.06021745      9.51979549    -12.76914903
  O     10.01609725     10.28913179    -13.57393522
  H     10.97632144      8.55998176     -9.31701981
  H     17.41941526     10.05110335    -13.28317589
  O     14.24012653     11.14165500    -14.50671530
  H      9.99434552      8.93300957    -10.47466365
  H     11.48402394      6.83633876    -10.96877931
  O     16.55836729     10.32871038    -12.98102286
  H     11.89016731     14.93064502     -9.02290348
  H     12.24900386      6.38366153    -12.23443537
  O     12.06219749      6.14447847    -11.32011226
  H     10.85062296     14.26248267     -9.93942180
  H     12.47417561     12.69910894     -7.80820965
  O     12.20933962     11.82193736     -8.11077846
  H     14.43902837      7.64631668    -13.04690842
  H     12.99725594     11.43647581     -8.52074407
          69
 Energy    -248.91277441157933     
  O     10.83318925      9.49874381    -12.38410963
  H     11.35995416      9.92086534    -13.08132519
  H     17.46972217      5.68882312    -15.68882703
  O     14.51964235      6.62743681    -14.74434510
  H     10.04995362     10.03318620    -12.27543574
  H     19.95942746      6.24018265    -15.31736742
  O     16.47009989     11.91258063    -11.18252931
  H     14.22264691      6.29359890    -13.88697148
  H     18.89212860      7.32965924    -15.57052872
  O     18.36637296      8.64685410    -16.58581257
  H     15.19658453      6.05060984    -15.12483731
  H     15.44550247     11.28545541    -15.77800049
  O     12.33899206      7.93794528    -15.65812456
  H     16.72371229     11.34083985    -10.44676076
  H     14.63259765     12.34587045    -16.55275393
  O     15.46349154      7.96678809     -9.49168442
  H     15.69705774     11.49073652    -11.58372769
  H     16.79457017      8.07257967    -13.24059599
  O     13.58773403      6.14860306    -12.17854962
  H     18.00126539      9.44915178    -16.19436421
  H     15.53571893      7.94132050    -14.14072413
  O     14.51405100     10.35678073    -12.40071860
  H     17.68306167      8.29861042    -17.17406418
  H     18.88991157     10.13407825    -12.10423243
  O     16.27881013      7.46256392    -18.09319150
  H     11.67666600      7.52264089    -15.09061532
  H     18.46306430      9.55567781    -10.74078607
  O     16.14788426      5.65174641    -11.03786643
  H     13.16350874      7.47191403    -15.44114336
  H     10.81921062      7.65300243    -13.02648607
  O     17.01373574     10.70198875    -15.14972699
  H     14.56182364      8.16145561     -9.77652970
  H     11.73180184      6.41176588    -13.03800265
  O     16.60610947      5.46983883    -16.05715141
  H     15.71080912      7.14468860     -9.93129529
  H     19.04600847     12.55353680    -12.91911094
  O     19.09650215      6.53776689    -15.04116480
  H     14.40503516      5.82938108    -11.77542724
  H     17.73717372     11.93843062    -12.36642440
  O     14.55877588     11.50307940    -16.11132113
  H     13.39064944      6.98367288    -11.73073509
  H     18.48387384      7.76147454    -12.12413465
  O     16.11613747      8.57834906    -13.70197729
  H     13.81939353     10.47775615    -13.05945860
  H     18.48367588      6.75769087    -13.33034120
  O     18.95101618      9.34895279    -11.54896033
  H     15.13916426      9.72413428    -12.78747887
  H     16.63607076      9.24188157     -9.34667843
  O     10.98910077      6.82521533    -13.49276975
  H     15.49561024      8.00646102    -17.89935903
  H     17.54583254     10.04056442     -8.38752498
  O     18.45103303     11.81512002    -13.01883725
  H     16.25615891      7.28173660    -19.02953597
  H     14.26726698      9.89906946    -17.14415742
  O     18.05635994      6.97033189    -12.49043456
  H     16.85135465      6.06941417    -11.56359294
  H     13.38330803      8.63988432    -17.05190270
  O     17.30542633      9.94756098     -9.30556116
  H     16.50878516      4.83651410    -10.69788155
  H     13.65188168      9.23456861    -11.30673282
  O     14.12764771      9.02753283    -17.53104165
  H     16.69857919      9.90834109    -14.68680975
  H     12.18400569      8.84376962    -11.13512344
  O     13.07345992      8.59459729    -10.86262799
  H     17.56052969     11.17823015    -14.51209654
  H     13.13629354     10.92347332    -14.98671893
  O     12.56119635     10.40225878    -14.41327215
  H     16.48864690      6.06023270    -16.81421398
  H     12.46640334      9.54106820    -14.84994679
          69
 Energy    -248.91226061418851     
  O     15.67650957     11.98471680    -15.67505304
  H     16.53239903     12.00841384    -15.22801735
  H     14.91386726      5.26431663    -16.47464089
  O     12.59602024      6.24615573    -14.72651129
  H     15.01864790     11.72040161    -15.02359698
  H     17.64640293      8.29439379    -17.97914487
  O     18.90516921      7.73355331    -13.16955350
  H     11.77274871      5.77729160    -14.62319256
  H     17.23951040      9.80674063    -17.90287498
  O     17.12359401      6.67760282    -18.50574093
  H     13.06053433      5.83882654    -15.48174827
  H     16.65366189      8.72406349    -16.17283383
  O     14.35460071      6.64209662    -19.25190439
  H     18.36603989      6.95538247    -13.36367246
  H     16.39948708      8.88792660    -14.65035402
  O     15.85230055      8.58771460     -9.60796362
  H     18.97432423      7.74918334    -12.20208524
  H     12.68717520     11.55583932    -14.06176214
  O     14.54897024      6.62585252    -12.70455157
  H     17.09697432      6.17423643    -17.68085462
  H     13.34648418     10.25729866    -14.58069657
  O     17.03291766      9.72600569    -13.10508965
  H     16.22890954      6.63136990    -18.86463035
  H     17.84304148      4.03325103    -10.01436539
  O     16.59017082      5.72770148    -15.89665542
  H     14.13488187      7.55023675    -18.97793959
  H     16.74308762      5.09235719    -10.27322797
  O     15.17504563      5.85402706    -10.06061781
  H     13.97355793      6.51561354    -20.11662449
  H     14.34305357      8.65444234    -15.56072855
  O     19.49777151      9.63257071    -15.32605888
  H     15.71453223      9.20643916     -8.89446404
  H     12.97308104      7.97611064    -15.29440313
  O     13.99788694      5.26807749    -16.78723207
  H     15.35390383      8.92800422    -10.36825333
  H     16.23403139      5.91914277    -13.05861430
  O     17.80034047      9.12850856    -17.50778639
  H     14.51091352      7.57078900    -12.50644101
  H     17.38252787      5.15926573    -12.35362609
  O     16.08307184      8.44215427    -15.44437132
  H     13.86544023      6.44348871    -13.36011378
  H     18.33297201      6.62338478    -10.37566741
  O     13.47298816     11.01937520    -13.98825663
  H     17.43792016     10.53490851    -13.43918910
  H     17.68116874      7.99386356    -10.14430918
  O     17.64875851      4.82332733    -10.51070962
  H     17.72465639      9.04996770    -13.06182976
  H     15.78022845     11.43852322    -17.32446796
  O     13.38283012      8.80504152    -15.56843972
  H     16.37490923      6.66133798    -15.74884138
  H     15.95865857     11.83510628    -18.80887332
  O     17.11193000      5.53493486    -13.19940940
  H     16.89061387      5.40641914    -15.03814621
  H     14.08686929      9.96480397    -12.49624729
  O     18.49559854      7.57335729    -10.44218737
  H     14.81310133      5.98095297    -10.94830542
  H     15.54278504      9.51314262    -12.32373017
  O     15.88211035     11.08410273    -18.22595312
  H     15.35439424      6.74503172     -9.73373926
  H     18.76356970     11.10872151    -14.80691977
  O     14.64292142      9.37221110    -11.97992690
  H     19.03929690      9.37015870    -16.13697982
  H     18.85597764     12.52752671    -14.19238048
  O     18.23859755     11.84564236    -14.44172752
  H     19.45309526      8.89142155    -14.71059221
  H     14.48787609      9.81836886    -18.37112197
  O     13.80412505      9.13786392    -18.34701650
  H     14.02522398      5.66116698    -17.66771497
  H     13.51828411      9.07589102    -17.42663524
          69
 Energy    -248.91225886859917     
  O     18.49698671      8.61225051    -11.05177893
  H     18.66515571      7.72975651    -10.69016485
  H     12.64614002     10.83148614    -11.32629378
  O     12.04695417      7.66068166    -11.93294032
  H     18.55365130      8.54445796    -12.01463565
  H     18.46296228      3.67465979    -11.86003419
  O     12.29071713      9.41634435    -14.16858895
  H     12.05754718      8.21543466    -12.72442006
  H     16.99082546      3.88925324    -11.44158890
  O     18.18618851      8.31004462    -13.80122866
  H     12.10396632      8.27067619    -11.18825770
  H     14.96754347      7.27960896    -11.90285186
  O     18.69418460      6.10655266     -9.92572188
  H     11.68151822      9.47065449    -14.90038725
  H     13.56166559      6.67985676    -12.07238765
  O     17.91272380      7.35732095     -7.53126176
  H     13.17157641      9.26275410    -14.55304308
  H     21.06228753      4.14219753    -11.68177238
  O     16.09979428      5.11967920    -10.29446850
  H     17.91451641      9.18067551    -14.11528183
  H     20.08508030      5.04261600    -12.47728666
  O     14.76343940      8.99194385    -15.21195671
  H     17.43192712      7.72328322    -13.96227879
  H     17.94165253      9.54132923     -9.52159335
  O     16.61734048     12.28495192     -9.85363090
  H     19.31294792      5.55339423    -10.41800419
  H     17.24220733     10.81124104     -9.00371421
  O     16.95118749     10.76313967    -14.53697896
  H     17.80650214      5.75843183    -10.09501050
  H     18.97959580      5.33075776    -14.35553278
  O     15.53469557     11.30525443    -12.25433574
  H     18.36361950      6.90992284     -8.26135966
  H     19.31886537      6.78266836    -13.96036243
  O     12.81349901     11.33072568    -12.13526812
  H     17.87845038      8.29319445     -7.76692569
  H     16.71648983      8.64414546    -11.25898486
  O     17.55246881      3.46293712    -12.10126670
  H     15.78389296      5.38121065     -9.42172792
  H     15.40020687      8.75780584    -10.44090996
  O     14.50076246      6.45388425    -12.11197298
  H     15.48910109      5.50886520    -10.93783439
  H     15.72221526      9.29406307     -8.59206883
  O     20.19021893      4.52586921    -11.65787861
  H     15.47524427      9.63098510    -15.09811882
  H     14.94465941      7.96489404     -8.35967612
  O     17.47605651      9.90515955     -8.75507485
  H     15.16041515      8.12403124    -15.05913083
  H     15.43561886      6.45474014    -13.64471902
  O     19.66145835      5.88039173    -13.94819026
  H     16.37375152     13.19702337     -9.71683867
  H     16.44190910      5.77784828    -14.61601912
  O     15.75631402      8.72696283    -11.33893203
  H     16.25487985     12.03767821    -10.71785049
  H     15.15933154      5.81951079     -6.96698635
  O     14.86409641      8.86135147     -8.71090602
  H     17.24217386     11.54491086    -14.99954820
  H     16.34232551      6.61528871     -7.57422460
  O     16.02696739      6.61969933    -14.39373785
  H     16.48009445     11.06638060    -13.74224591
  H     13.26469145      9.41210234     -9.37237127
  O     15.44851492      6.27006334     -7.75612352
  H     15.61505286     10.37900977    -11.97891583
  H     11.79729547      9.82399269     -9.14561629
  O     12.43760333      9.63387138     -9.82799541
  H     14.58312200     11.48472764    -12.27154008
  H     17.35809384      3.47085637    -15.27727072
  O     17.44201743      4.22790991    -14.70422425
  H     12.56245735     10.74479250    -12.86200953
  H     17.41507546      3.89452884    -13.78914848
          69
 Energy    -248.91213207461516     
  O     16.75124159     10.54923873    -13.47087310
  H     16.46588129     10.68889408    -12.55977237
  H     14.51581275      4.60262936    -13.30630126
  O     16.73745193      4.61149210    -15.54573483
  H     17.43780714      9.86431018    -13.46480228
  H     12.30514864      9.47306355    -11.59711993
  O     12.44703409      7.53178190    -13.95983705
  H     17.23276157      3.89738828    -15.94193426
  H     12.14842013      8.11025134    -12.29216509
  O     11.57624160      6.24618681     -9.92491344
  H     17.23737117      5.42380953    -15.71950104
  H     15.47297342      9.22427891    -13.85956429
  O     14.00040489      5.13507568    -16.38483281
  H     12.00964323      7.98202836    -14.69526686
  H     15.54155507      7.75109068    -13.43038829
  O     15.62134363     11.16340686    -15.92468938
  H     13.36384975      7.84621242    -13.96398741
  H     18.38175114      7.87270096    -14.37115028
  O     18.04433185      7.01039323    -16.13113844
  H     12.35884952      6.18761065     -9.36472474
  H     17.86771636      7.76575006    -12.92701283
  O     14.18082092      5.92270065     -8.69769019
  H     11.63841574      7.09661217    -10.38186644
  H     12.18441167      9.80781346    -15.87132062
  O     15.77340273      8.40199677    -16.66835255
  H     13.49272997      4.92700751    -15.58931333
  H     12.32713411      8.55673896    -16.78511691
  O     11.59641856      4.00059596    -11.44676791
  H     14.91902692      4.93741729    -16.17237965
  H     13.94688989     11.33341085    -15.42865621
  O     14.29880301      3.89227685    -10.49793539
  H     15.76103917     10.31944173    -16.37056209
  H     12.66449778     12.19139879    -15.37527306
  O     15.43421973      4.47262353    -13.02367321
  H     16.13093989     11.11687317    -15.10203093
  H     12.61087973      5.79131539    -13.87883599
  O     12.18145356      8.52952993    -11.42008860
  H     17.27641777      7.54252406    -16.40453835
  H     12.30619316      4.47793792    -13.10736748
  O     15.06598554      8.36119112    -14.00937272
  H     18.75551305      7.22814743    -16.72914010
  H     13.14537115      7.11842515    -18.69234820
  O     18.39554752      8.32127659    -13.51929700
  H     14.29350138      5.17125673     -9.30752566
  H     13.60097707      6.54926038    -17.32846950
  O     11.74677470      8.99237206    -16.14921684
  H     14.40606358      5.60644254     -7.82712223
  H     13.86422931     11.09258915    -11.88675681
  O     13.02998900     11.35139197    -15.10563994
  H     15.47376338      8.34422277    -15.74673209
  H     13.01161219     11.13471059    -13.18166106
  O     12.81169402      4.84230003    -13.84332644
  H     15.03280603      8.10367697    -17.21081779
  H     16.12683058      5.98926272    -12.32344692
  O     13.47037774      7.37293003    -17.83272945
  H     11.50369511      4.81588429    -10.92133456
  H     15.88764039      7.25537968    -11.43450084
  O     12.96290204     11.03902865    -12.22247821
  H     10.83232841      3.46311000    -11.25669810
  H     15.75635958     11.18403146    -10.13363328
  O     16.45469392      6.87525281    -12.11869641
  H     14.82891136      3.96038057    -11.30181441
  H     15.32792065      9.79184684    -10.64303097
  O     15.56864948     10.68849119    -10.92747327
  H     13.38732633      3.77463195    -10.79510807
  H     14.60188486      7.43470877     -9.65507039
  O     14.70454293      8.12069430    -10.32687536
  H     15.95925120      4.41551331    -13.83015576
  H     13.83248226      8.24401633    -10.73151058
          69
 Energy    -248.91178114380881     
  O     10.40155269     10.23405419    -11.06218361
  H      9.62347407     10.09917332    -10.52787516
  H     11.43951645     11.82044173    -17.70680219
  O     14.53384354     10.60236057    -12.57863171
  H     11.13225244     10.43402941    -10.44980502
  H     13.64648511     14.58087827    -15.24048961
  O     17.01975623     13.53746803    -13.86128335
  H     14.34102331      9.74855316    -12.17374317
  H     14.60310021     13.38785693    -15.43522495
  O     15.63746270      7.46806756    -13.93421815
  H     15.46037137     10.81970239    -12.40111356
  H     17.80412133     11.19351609    -15.70207924
  O     10.95170870     11.90752387    -13.24160957
  H     16.16275913     13.90731881    -14.10504307
  H     18.67332319     12.00327101    -16.69239512
  O     12.13118473     15.09885480    -16.19286168
  H     17.39724575     13.19109201    -14.67898527
  H     13.73176943     13.27428307    -10.75028476
  O     15.07303638     12.07489298    -16.64071686
  H     15.05002946      7.97344855    -14.50971172
  H     13.89419003     14.09003939     -9.44682291
  O     14.68779806      9.01001041     -9.20132358
  H     16.49760563      7.88640247    -14.04015648
  H     17.34910683     10.22893812    -13.78350713
  O     13.36476397     13.03678670    -12.47266521
  H     10.64453884     11.38553985    -12.49024062
  H     16.36962127      9.75164677    -14.89269614
  O     14.39358613      9.79925533    -15.16487739
  H     11.73927092     12.38464179    -12.94527769
  H     15.51907223     12.07834128     -9.70501890
  O     12.48095805     10.79585019     -9.42771617
  H     11.76153869     15.95540368    -16.38903243
  H     15.78294438     10.57668094     -9.50424654
  O     10.68557775     11.26551381    -17.43705163
  H     11.39212948     14.53251455    -15.90592511
  H     11.26693791     10.26242831    -15.97801303
  O     14.36747237     14.09608970    -14.81922409
  H     16.03742267     12.10592179    -16.65210086
  H     11.44572183     10.63694529    -14.49107744
  O     17.85657010     12.02643540    -16.20059645
  H     14.82075500     11.24984426    -16.20405158
  H     12.58816519     13.75246551    -17.51249984
  O     13.94982931     13.20789016     -9.80526660
  H     14.88604137      8.34012376     -8.55177903
  H     13.62163749     12.62033685    -17.66230198
  O     17.30413543      9.80833167    -14.65751094
  H     14.51665952      8.54540112    -10.03861356
  H     11.14854787      8.89715261    -12.18432744
  O     16.21135372     11.40730141     -9.74484776
  H     13.70667495     13.49523867    -13.25152652
  H     11.58462645      8.70078330    -13.65031080
  O     11.64661535      9.95268962    -15.14645322
  H     13.74452339     12.14232048    -12.48547513
  H     17.03236513     11.36989264    -11.34864769
  O     12.76265234     12.92765303    -17.98185351
  H     14.46951611     10.12706570    -14.25374627
  H     17.17335670     12.14900648    -12.71241609
  O     11.65256289      8.31622481    -12.76859738
  H     13.44069904      9.74744880    -15.32391357
  H     10.17347960     12.64993553    -16.17343963
  O     17.18507852     11.27122212    -12.29984482
  H     13.18214646     10.15459342     -9.26036350
  H     10.31539408     12.90264687    -14.66021048
  O     10.17439803     13.34765453    -15.50720763
  H     12.91546815     11.65638822     -9.46658221
  H     14.70908046      7.65639381    -12.35333502
  O     14.12292743      7.98972364    -11.66050997
  H     10.21774205     11.02990046    -18.23352195
  H     13.21929006      7.98308463    -12.01396686
          69
 Energy    -248.91177934175124     
  O     11.94116737     11.31085115    -14.89769868
  H     12.71605954     11.80330236    -15.18978670
  H     18.41757509      5.75647428    -12.86850592
  O     15.17770761      6.62651565    -12.95977355
  H     11.97832432     10.45924167    -15.35708723
  H     15.01972937     11.25237606    -16.95319592
  O     18.02680957     10.78843867    -12.79565430
  H     16.12793560      6.58871913    -12.80317468
  H     15.97012219     10.04121774    -17.12553605
  O     16.78305031      8.63133373    -16.07839994
  H     14.75870952      6.97682445    -12.16058112
  H     13.83258734      8.86922598    -14.92377030
  O     11.34835297      6.51234493    -14.75547858
  H     18.38702098     10.03813971    -13.28027684
  H     14.75455648      8.10933030    -13.91084027
  O     15.72739162     10.44531160     -9.05952848
  H     18.17462826     10.61751585    -11.85658690
  H     11.53267849     10.97283663    -13.25332993
  O     13.89678542      7.87664524    -10.86068313
  H     16.05675824      8.80961582    -15.46263012
  H     10.52919559     11.18653697    -12.09597641
  O     15.41967371     11.31839388    -13.37154589
  H     16.47919532      7.88004505    -16.61126591
  H     17.90100672      7.18191009    -10.83690869
  O     15.44091104      6.66492093    -17.39429912
  H     10.54530067      5.99893219    -14.76244471
  H     18.07611061      8.46217553     -9.98995963
  O     15.46702837      7.62030404     -8.56321553
  H     11.39375868      6.95003757    -13.88582493
  H     12.27686060      7.71578202    -11.80910067
  O     14.00824111      5.53531790    -15.27915701
  H     15.03519944     10.64148675     -9.70558769
  H     11.37467456      8.80694978    -12.40794542
  O     18.00098620      6.58128462    -12.62638211
  H     15.55194611      9.55122523     -8.74179668
  H     18.16928774      8.57537041    -15.05486182
  O     15.29925834     10.57026455    -17.57553004
  H     14.32710959      7.69783556    -10.01594145
  H     19.70254678      8.65941241    -14.86148970
  O     14.63148688      8.94072896    -14.38697033
  H     13.93675486      8.83460059    -10.99447636
  H     17.36111160     10.45608454     -9.66825910
  O     11.32352790     10.71723778    -12.33675086
  H     15.10927915     10.46112297    -13.70845166
  H     18.84214063     10.84379265     -9.45088871
  O     17.79521744      7.53851555     -9.94758925
  H     16.36281995     11.22411012    -13.17323930
  H     13.37384469      8.77316528    -19.39433243
  O     11.53659614      7.85582524    -12.41279716
  H     14.79303071      7.19648836    -17.87024092
  H     14.20281146      9.37629084    -18.23532603
  O     18.88235621      8.52967569    -14.39220232
  H     14.94807938      6.19702009    -16.70287161
  H     14.43680351     10.99776032    -11.88209847
  O     18.26450674     10.33279171    -10.01200817
  H     15.51259372      7.08899016     -7.77346505
  H     12.96588073     10.76258315    -11.46138718
  O     13.61234489      8.64082982    -18.48097018
  H     16.31650421      7.51094626     -9.02856482
  H     14.84377571     12.18816009    -14.79091549
  O     13.87888417     10.67273428    -11.16111640
  H     13.07853230      5.75340288    -15.14814692
  H     14.65426929     13.43956951    -15.67857775
  O     14.45337920     12.50862151    -15.62255256
  H     14.44082802      5.76435407    -14.44594548
  H     11.92450165      7.98211454    -15.70008169
  O     12.33836368      8.80045062    -16.00250777
  H     18.34235509      7.25363420    -13.23660358
  H     12.67971720      8.66289333    -16.89547017
          69
 Energy    -248.91175328120204     
  O     10.91049210      9.32818770    -15.06761965
  H     10.92386909     10.14144056    -14.54570484
  H     17.54423474      8.09690025    -14.78601563
  O     16.07957005      8.19837813    -11.44829160
  H     11.22470557      8.61648234    -14.49804829
  H     18.68585826     10.81164196    -15.84926762
  O     17.11066585     11.20244741    -14.81198370
  H     16.50573785      8.26778431    -12.31180517
  H     19.20177924      9.45859928    -16.37113854
  O     11.77463763      9.82942946    -17.58178283
  H     16.20330861      9.05359118    -11.02068733
  H     16.37536334     11.24433898    -17.85132581
  O     13.83349511     10.54404276    -13.47351119
  H     16.55836936     11.27781917    -15.60300738
  H     15.23415063     10.37981014    -17.26295480
  O     13.83447069     14.03853675    -12.90141024
  H     17.06008961     10.28106584    -14.51558985
  H     11.32719822     12.11101036    -12.84150133
  O     13.35064819      7.70741944    -11.25669070
  H     11.44608502      9.61630135    -16.68958753
  H     11.48409274     12.56849091    -14.30973123
  O     12.18269456     14.00957386    -15.23353998
  H     11.05002686      9.68068371    -18.18327506
  H     16.11215769     11.41407508    -11.10154355
  O     16.95324487      8.13769567    -18.35612594
  H     14.52871539     11.17918008    -13.26139680
  H     16.76528438     11.22525660     -9.71150586
  O     13.35453169     10.51137933    -10.69407903
  H     13.03112342     11.03271562    -13.69520910
  H     12.44374455      7.31560913    -12.67710483
  O     18.58975106      7.62699948    -16.24833593
  H     13.19011793     13.73534089    -12.25046068
  H     11.57529703      6.28479557    -13.43303760
  O     16.95380737      8.49490432    -14.13448650
  H     13.34794161     14.12379042    -13.73063056
  H     14.02314332     12.08762682    -17.15397824
  O     19.25794010     10.41142635    -16.51729917
  H     13.12838624      8.52910883    -10.80772750
  H     12.59285040     11.52532346    -17.30860624
  O     15.66011139     11.24782135    -17.20321793
  H     14.31609253      7.73080564    -11.34582541
  H     15.30651370     13.02857391    -12.76020348
  O     11.31306143     11.79589679    -13.75410041
  H     12.53908216     13.44693761    -15.94587916
  H     16.42013476     12.09080684    -13.39979187
  O     16.11098627     10.85978590    -10.30056428
  H     11.77488350     14.76097002    -15.65465429
  H     14.36036225      8.48716199    -16.49785140
  O     11.99964930      7.13345017    -13.52541980
  H     17.24903550      8.99224335    -18.69340515
  H     13.48050897      9.06536846    -17.62788078
  O     13.08829767     12.32564713    -17.09824751
  H     16.01714878      8.24368999    -18.13871356
  H     11.37509748     13.06241983    -10.40546088
  O     15.90962897     12.28716049    -12.60160301
  H     13.47468919     10.33810897    -11.64077437
  H     12.37066409     11.97648224    -10.87517813
  O     14.37911704      8.78120115    -17.42114640
  H     14.24790557     10.62412461    -10.34319500
  H     18.41672425     11.25372473    -19.51473006
  O     11.87463893     12.76294172    -11.16043441
  H     19.10343944      6.83805482    -16.39834255
  H     18.48093296     10.72116301    -18.06228968
  O     17.90445597     10.81372119    -18.84239785
  H     17.99796671      7.72864274    -17.01538667
  H     14.14463438      9.03898250    -14.32327541
  O     14.28674946      8.17813165    -14.75089249
  H     16.04811605      8.25282713    -14.38002017
  H     13.57108933      7.61622587    -14.43428134
          69
 Energy    -248.91173429445666     
  O     13.85607367      8.30818313    -10.75717188
  H     13.73328388      9.17614694    -11.16392836
  H     16.95738351      5.13070187    -15.27611896
  O     13.64178196     11.18691501    -16.00409857
  H     14.44105353      8.38765038     -9.99211523
  H     17.51643534      3.10543447    -11.22959701
  O     16.43582361     10.83527410    -12.61385481
  H     13.41132945     11.84125915    -15.33298799
  H     16.41316704      4.13382538    -11.56446407
  O     13.83660913      4.66281036    -14.60662043
  H     13.31214539     10.34299924    -15.66913618
  H     12.07123376      6.12428176    -12.23217311
  O     15.77051583      8.19788988     -8.70457774
  H     16.79933909     10.66769561    -11.73307933
  H     12.80762088      6.79512260    -11.05753847
  O     16.05297981     13.13050549    -14.15385426
  H     15.48779427     10.65512766    -12.57036231
  H     20.24572867      7.93499468    -14.59376319
  O     15.82177428      7.27791556    -12.43901459
  H     14.17915032      4.53329329    -13.71160415
  H     18.79475379      8.45561728    -14.50231880
  O     13.65225057     10.45334853    -12.51055782
  H     14.61105598      4.78940982    -15.16532473
  H     14.31554344     13.14774681    -13.87774577
  O     18.39614736      7.84397762    -11.58726382
  H     15.66219583      8.16729333     -7.75736136
  H     12.94366565     13.81038895    -13.60332703
  O     17.42762244     10.04858304    -10.19066339
  H     16.34052553      7.44525725     -8.94154504
  H     12.46907110      8.02206576    -14.48350492
  O     18.13322437      5.12542092    -14.00932463
  H     16.24375703     12.75828268    -15.02247768
  H     13.90018732      8.42703061    -14.90556494
  O     16.28703643      5.24703115    -15.97378340
  H     16.32012401     12.44771732    -13.52076016
  H     16.37470926     11.84230682    -17.46232196
  O     17.36807691      4.03144411    -11.40593767
  H     15.11885615      7.68113259    -11.91091144
  H     15.33517827     11.36537381    -16.42277288
  O     12.42799807      5.95514970    -11.35238935
  H     15.65185903      7.46149768    -13.37080982
  H     10.93931448      5.95771580    -14.49803945
  O     19.39163003      7.74571881    -14.21270967
  H     13.38399336      9.85832418    -13.22722489
  H     12.46380632      5.72966873    -14.38381342
  O     13.36390326     12.97096050    -13.76785390
  H     13.43494784     11.34736976    -12.80051354
  H     15.24768482      5.59462185    -12.15383914
  O     13.03596303      8.78468142    -14.64857770
  H     17.48987324      7.63828712    -11.87264211
  H     13.94453677      4.98031607    -11.61517701
  O     16.28487119     11.52969137    -16.56607622
  H     18.93106543      7.84728403    -12.38646994
  H     17.42360743      5.39905752     -9.98660999
  O     11.74180168      6.34202763    -14.15416407
  H     17.93930313      9.35252777    -10.62877820
  H     18.02367283      6.79102768    -10.11878740
  O     14.81667360      4.74623292    -11.96378717
  H     16.85289721      9.58167517     -9.57404108
  H     16.26644806      8.42781388    -15.18134264
  O     17.51071070      6.23419750     -9.51510358
  H     17.99273345      4.83577728    -13.10071717
  H     15.81073686      6.97170234    -15.56188196
  O     15.52668441      7.80671494    -15.16937807
  H     18.61074895      5.96268275    -13.98033941
  H     17.24692776     10.31863708    -15.54360107
  O     17.54052010      9.69750045    -14.86450201
  H     16.62173547      4.81404392    -16.75413021
  H     17.22209730     10.05150481    -14.01857341
          69
 Energy    -248.91156448513934     
  O     16.06776423     11.66488307    -14.65471418
  H     15.67266439     12.47620688    -14.34637373
  H     20.79056693     11.23150866    -16.68055764
  O     14.35336889      5.62829063    -17.20672864
  H     15.37195461     10.98454238    -14.61090842
  H     17.29409120      7.96474712    -14.55174363
  O     16.32889765      6.73304814    -11.88484723
  H     15.19185578      5.31847441    -17.56609627
  H     17.20120645      6.74255315    -15.48818632
  O     19.44955002      8.28133151    -16.61190497
  H     14.39641034      6.59505427    -17.22618083
  H     14.20865428      9.34157514    -15.52102884
  O     17.97737460      7.30054228    -18.84055221
  H     15.53668594      7.11591128    -12.29082416
  H     14.02930060      9.05382417    -14.01624283
  O     12.66420901      6.17948964    -10.95898468
  H     17.09110035      7.26394302    -12.15122353
  H     13.87902615      3.20140892    -11.88693404
  O     13.87687936      5.13313419    -14.57822780
  H     19.92524107      7.67942787    -16.02662403
  H     14.90679996      3.70443036    -10.85909695
  O     17.98259789      5.03753598    -15.47954846
  H     18.52908583      8.24341539    -16.30926199
  H     15.20544058      8.80485209    -17.76981429
  O     12.28247522      3.92942405    -12.69933952
  H     17.40242336      8.05837084    -19.00833033
  H     15.58387899      8.15631531    -16.41662839
  O     16.99685757      4.88071352    -18.09075887
  H     18.65507051      7.61497625    -18.23020971
  H     19.12299530      7.60916689    -13.44267260
  O     20.17663502      6.42766601    -14.61275028
  H     12.39315741      5.40102229    -11.46287993
  H     18.54864890      9.04797146    -13.20852935
  O     19.93149627     10.96586402    -16.36358319
  H     13.41601795      5.89258329    -10.42625948
  H     15.88595028      3.75010571    -12.82963307
  O     16.98820845      7.68292391    -15.42253081
  H     14.73504800      4.83113287    -14.25253950
  H     16.42037231      5.19880496    -12.89445765
  O     14.16720712      9.76620043    -14.65387542
  H     13.95760345      5.25810736    -15.53466586
  H     15.66264057      5.84819597    -10.47329870
  O     14.78108433      3.06369765    -11.57120699
  H     17.64453739      4.82022462    -16.35750717
  H     15.57150685      5.47608329     -8.97659432
  O     14.83256230      8.37141111    -16.99379863
  H     17.40465095      4.64990409    -14.80509131
  H     18.18544003     11.33296892    -16.99962852
  O     18.41087938      8.10505571    -13.02375072
  H     11.51064536      3.50540147    -13.06519956
  H     16.77876978     11.47679414    -16.38757927
  O     16.32344630      4.38712348    -13.41290136
  H     12.75402227      4.34081850    -13.44418841
  H     13.86351977      6.76718448    -13.68717424
  O     15.17236457      5.31213483     -9.82718332
  H     17.33658196      5.73556907    -18.41108347
  H     13.38682973      7.20586465    -12.28422261
  O     17.24639643     11.32980091    -17.21942245
  H     17.11052663      4.25601360    -18.80244714
  H     19.13657451     10.88112808    -14.60389172
  O     13.92139858      7.48526621    -13.04188772
  H     19.45505336      5.84729204    -14.91372180
  H     17.71692155     11.04772019    -14.02969696
  O     18.59177136     10.68655007    -13.83304166
  H     20.88723821      5.85812762    -14.32987446
  H     16.01065384     10.07822345    -19.82837699
  O     16.31499633      9.59624240    -19.06415986
  H     19.85786766     10.00753419    -16.51236724
  H     16.65593445     10.25608008    -18.43295214
          69
 Energy    -248.91155960889228     
  O     18.36080296      8.78662492    -10.39316454
  H     18.25670050      7.88601634    -10.05967512
  H     17.53779286     12.29190533    -11.03216975
  O     19.60735364      3.11460903    -11.74583829
  H     17.49079010      9.19543841    -10.29277085
  H     19.45064829     10.14708481     -7.75518930
  O     21.37529489      7.02701735    -11.97316853
  H     19.66287878      2.16333500    -11.73531342
  H     19.09481012      9.96622477     -9.24063975
  O     15.85172852      9.69544693     -9.59898883
  H     18.69410118      3.34228297    -12.00025063
  H     19.98296595      9.95263446    -12.83624764
  O     17.92819465      5.63537989    -14.71369510
  H     21.99235639      7.46601203    -11.37527677
  H     19.22516126      8.99023574    -11.88039401
  O     22.81781570      8.47944867    -10.03171121
  H     20.80551447      7.72539717    -12.32843809
  H     20.26340308      4.30956466    -13.12042197
  O     16.82485697      8.17011684     -7.50502992
  H     16.08668404     10.61698533     -9.44203344
  H     20.86988050      5.72240722    -13.21808466
  O     21.03337843      7.23106785     -8.17485025
  H     16.08523107      9.20225130     -8.79475417
  H     17.29124684      4.50623582    -13.31860246
  O     19.50070932      8.75930917     -6.53131748
  H     17.88743149      5.37033472    -15.62924182
  H     16.52145670      4.37567777    -11.98362514
  O     17.70647324      6.27229089     -9.36239627
  H     18.84282459      5.47636428    -14.41846170
  H     15.14549451     10.29655744    -12.85790324
  O     17.14981207     12.18699416     -9.16217583
  H     23.75370279      8.60148963     -9.89597675
  H     16.39229367      9.82948689    -13.59884944
  O     17.83299410     12.20165733    -11.94412935
  H     22.42871353      9.36831313    -10.11730737
  H     21.28116199     11.25520335    -11.04403441
  O     19.35209753     10.63266061     -8.58374492
  H     17.06918611      7.39978767     -8.03849354
  H     20.91009010     10.94869048     -9.57677415
  O     19.67136490      9.04516650    -12.74299978
  H     17.64043714      8.42489856     -7.05933983
  H     15.93103987      8.02481523    -12.31925264
  O     20.39655836      5.04976034    -13.72514970
  H     21.68546223      7.67479308     -8.73112730
  H     15.34604114      8.55784527    -10.97258638
  O     17.16126148      3.93188063    -12.55374993
  H     20.75284385      6.45474445     -8.67402568
  H     18.10531021      8.48402771    -13.44448671
  O     15.94997376     10.62243181    -13.26173304
  H     19.80738880      8.64461605     -5.63611085
  H     17.36123869      7.31017073    -14.10968202
  O     21.63203757     10.90287534    -10.21692408
  H     20.04156843      8.16958542     -7.08793236
  H     20.65931001     12.39377262    -13.27979310
  O     15.21907080      7.90587320    -11.67547037
  H     18.52502217      5.81593550     -9.59879475
  H     19.46754668     11.97348969    -12.38535807
  O     17.22481538      8.17054813    -13.69663653
  H     16.98127530      5.86915797     -9.85445644
  H     15.29810619      6.25966785    -11.14835453
  O     20.38738187     11.75543603    -12.62651589
  H     17.02867339     12.93152136     -8.57850379
  H     14.65236633      5.06108445    -10.41208039
  O     15.46281632      5.35872034    -10.81694728
  H     17.95814373     11.73050272     -8.87301290
  H     20.05084195      4.46525449    -10.55146925
  O     20.18178015      5.30989533    -10.10322601
  H     17.14568624     11.71206220    -12.41816140
  H     20.56576980      5.90771943    -10.76113564
          69
 Energy    -248.91151146078900     
  O     -0.94742678      3.78518362      2.59015129
  H     -0.43900546      2.97024014      2.46796198
  H     -0.60477584      8.41774320      0.45066038
  O     -2.85209930      5.98993156     -0.53108344
  H     -1.77990056      3.66683609      2.11201834
  H      1.25116014      1.92878075      1.33934045
  O      4.52288973      6.59593871      0.55781978
  H     -2.01514395      5.88040824     -1.00839853
  H     -0.14812004      1.40003105      0.97604186
  O      2.11330247      7.52510202      1.63750407
  H     -2.67821407      6.61426671      0.18397390
  H     -0.28365519      3.92031380     -2.28731381
  O     -0.41010270      5.57559224     -1.69448531
  H      4.12161008      6.33522447     -0.29100634
  H     -0.50524232      2.46877048     -1.76344861
  O      2.50455984      3.08601502      0.50861830
  H      5.36881077      6.98501861      0.35410496
  H      0.79220950      8.17026181     -1.54421374
  O      0.68429326      5.17115378      0.75207220
  H      2.13403239      7.25637421      2.56472851
  H      1.12798314      8.48154782     -3.02409565
  O     -2.03160904      7.70855101      1.55179796
  H      2.97921621      7.30972612      1.26597146
  H     -3.63261169     -0.29850709     -2.55162586
  O     -1.41566585      1.61200253     -0.43876798
  H      0.00009129      5.42684278     -0.82556863
  H     -3.23171862      1.18822506     -2.71800041
  O     -0.68754372      6.34904644      3.50859419
  H      0.04574577      6.32661754     -2.09200039
  H     -3.91644720      5.21109935     -1.77599512
  O     -3.04533509      3.53135982      0.82250972
  H      2.69542736      2.99318902     -0.43024692
  H     -4.98656997      5.25743916     -2.88560641
  O      0.21463061      8.66602375      0.00920831
  H      1.88412315      3.82966032      0.56918872
  H     -3.25623784      3.36960870     -3.31226179
  O      0.43966161      1.57238090      1.72354175
  H      0.11657673      4.78845742      1.43472458
  H     -1.82837076      2.77778580     -3.42073249
  O     -0.14621082      2.98415687     -2.50092096
  H      1.10734348      5.96096766      1.10793441
  H      3.03659066      2.70917434     -3.00729827
  O      1.11746414      7.78148853     -2.37750474
  H     -2.59467184      8.33808722      1.99641453
  H      1.63971641      3.08563023     -2.46910727
  O     -3.45145492      0.50013982     -2.06407587
  H     -1.54137151      7.24261803      2.25180842
  H      2.68449087      5.56451349      3.60102402
  O     -4.38002584      4.67255992     -2.43698162
  H     -2.05142132      1.05918567     -0.90940672
  H      2.51065402      6.25801603      4.96955074
  O     -2.75459116      2.61156263     -3.63734780
  H     -1.93613129      2.29152992      0.01321706
  H      4.15038169      5.27587310      1.89997435
  O      2.59159738      3.24055478     -2.35154889
  H      0.22661851      6.36967189      3.81124297
  H      3.40353262      3.94273473      1.93984060
  O      2.14024622      6.20576157      4.09247742
  H     -0.88112966      5.41032231      3.36341237
  H     -4.98743892      3.16616457     -1.34208250
  O      3.73567439      4.65010663      2.50734868
  H     -3.83953876      3.10761108      0.46704338
  H     -4.65528319      1.68069424     -1.11987808
  O     -5.06312102      2.44885295     -0.70025919
  H     -2.98902762      4.40092976      0.40615162
  H      3.01450818      5.07970760     -2.01006938
  O      3.26947821      5.97257713     -1.74952559
  H      0.92138478      8.40715113      0.61971972
  H      2.56412796      6.56811116     -2.02874021
          69
 Energy    -248.91130947091079     
  O      9.74837575     12.70667294    -10.92198114
  H      9.94956344     12.52854015    -11.85880843
  H     13.79993734     12.25462738    -13.44253340
  O     12.64356415      9.18943377    -15.91573197
  H      8.82027733     12.91828580    -10.87436622
  H     17.01579054      9.42358167     -9.38856411
  O     11.77151943      8.19355571    -11.72460559
  H     12.62906716      8.82435603    -16.79674407
  H     16.68179664      8.63415154    -10.68516049
  O     13.92997572      8.48953368    -13.51101560
  H     12.52890943     10.15045797    -16.01124000
  H     15.12142711      7.71683372    -12.25718641
  O     12.85225463     12.87053929     -7.25006813
  H     11.48271635      8.91961121    -11.15213024
  H     14.85853070      6.99050167    -10.93432274
  O     12.11820607     11.88346630    -16.00537921
  H     12.15394599      7.52188958    -11.14825150
  H     14.68114913     14.33933135    -11.30147401
  O     13.84546490      8.79415823     -8.47374670
  H     13.17498883      8.41532893    -12.90852598
  H     14.01749935     15.68283295    -11.67960610
  O     13.86037292     10.84299907    -10.33731864
  H     13.56822590      8.63868176    -14.39356852
  H     13.44629867      7.27855775     -9.31052970
  O     11.78783912     10.19952682     -7.38103802
  H     12.62868515     13.49629421     -6.56603684
  H     13.05488441      5.78375552     -9.39451083
  O     16.11338090     13.55888765    -10.70781709
  H     12.51502514     13.24012872     -8.08738275
  H     17.45781460     10.66364830    -11.37809523
  O     11.14903073     10.38655823    -10.12683787
  H     12.64746790     12.36262336    -15.35042447
  H     18.36390228     11.39162953    -12.40156430
  O     13.16791083     12.95585427    -13.66318416
  H     11.21587750     11.99479803    -15.69524033
  H     11.41392026     12.34767305    -13.47919182
  O     17.23357787      9.34372208    -10.32185249
  H     13.93212133      9.38302619     -9.23980237
  H     10.45452661     11.12102977    -13.59167540
  O     15.54607081      7.44485522    -11.43339272
  H     13.12931145      9.16823789     -7.93808005
  H     14.55388766     12.47097610     -7.86327258
  O     13.84535043     14.74884591    -11.58935909
  H     14.36490388     11.43473950     -9.76671149
  H     15.73768343     11.45760156     -8.00184966
  O     13.24670447      6.55216963     -9.92573854
  H     14.23340670     10.90585136    -11.22432380
  H     15.84162406     11.06967737    -12.74443736
  O     17.49439309     11.40427051    -12.01189696
  H     11.37292839     10.22196631     -8.25535465
  H     14.68339801     10.08447270    -13.17425195
  O     10.48773391     12.07485859    -13.42316311
  H     12.10978152     11.09655588     -7.22766556
  H     16.63160072      9.25753283     -6.82653361
  O     15.34314948     12.25407186     -8.37778361
  H     16.64514977     12.90327781    -11.17350846
  H     15.43449981      9.26026946     -7.80761199
  O     14.89571676     10.99264280    -12.91903335
  H     15.96422758     13.20331179     -9.82054988
  H     12.59560027     14.16445211    -10.29488759
  O     16.28321593      9.68813980     -7.60298034
  H     10.58470104     11.12574804    -10.37968425
  H     11.20012932     13.53407247    -10.05976678
  O     11.99264200     13.85137631     -9.61001704
  H     12.06802009     10.68538336    -10.22059194
  H     11.13412859      9.18100989    -14.68186931
  O     10.50661932      9.35870286    -13.97192262
  H     13.33511506     13.66725647    -13.03529698
  H     10.80943217      8.83796021    -13.21671876
          69
 Ord_Energy   -248.911240    
 O   -10.1380854      -7.04700089       10.3188362    
 H   -10.0063038      -7.56693316       11.1080666    
 H   -10.6338320      -6.25498533       10.5842724    
 O   -6.73862219      -6.15603065       6.77701235    
 H   -7.16543818      -5.90456057       7.61682463    
 H   -5.79832029      -6.09178782       6.91926003    
 O   -14.1294994      -1.71055090       2.33169818    
 H   -14.1439819      -2.25620198       3.13075519    
 H   -13.8214054      -2.28815508       1.62282014    
 O   -12.2716599      -4.93458700       2.77071786    
 H   -12.7871284      -4.42156696       3.40923929    
 H   -12.4676390      -4.56403732       1.90079117    
 O   -9.89617443      -3.53153372       3.32311678    
 H   -10.6610785      -4.09232044       3.12909198    
 H   -9.22432995      -4.10345936       3.71475029    
 O   -13.2890387      -5.28112411       6.46560812    
 H   -12.3268213      -5.18140602       6.38523865    
 H   -13.4488287      -6.22676992       6.37375069    
 O   -10.6262217      -1.82760274       1.20745373    
 H   -10.1820402      -2.37124872       1.87306094    
 H   -11.0028629      -1.07958019       1.68747902    
 O   -10.7079449      -7.76548433       7.67270803    
 H   -9.88831425      -8.10752296       7.28118467    
 H   -10.5518360      -7.60161543       8.61014175    
 O   -12.8515081      -3.82727218       8.85545731    
 H   -13.2064552      -4.37153482       8.14266777    
 H   -12.1997547      -3.25007176       8.43247318    
 O   -11.6286898      -7.50233841       3.69541407    
 H   -12.1609936      -7.68892145       4.47634745    
 H   -11.9132872      -6.64455605       3.35177207    
 O   -12.9839544      -8.06579971       6.17721033    
 H   -13.4269924      -8.88747120       6.37180710    
 H   -12.1961660      -8.02869987       6.74767780    
 O   -12.0946302       3.06798108E-02   2.83644509    
 H   -12.3503942      0.944717586       2.74917841    
 H   -12.8855152     -0.503949463       2.64180470    
 O   -8.37271023      -5.43842316       4.62204027    
 H   -7.72757435      -5.57833719       5.32786655    
 H   -8.52406025      -6.29879999       4.20738411    
 O   -12.7219019      -3.39514351      0.459086597    
 H   -12.7915230      -3.50544739     -0.485018700    
 H   -11.9463968      -2.82783031      0.621268868    
 O   -7.96964407      -5.56298876       9.08451748    
 H   -8.58272552      -6.16870594       9.51170254    
 H   -8.28952217      -4.67681074       9.30838013    
 O   -11.2537003      -1.68833292       4.91485119    
 H   -11.4838486     -0.968551636       4.31506205    
 H   -10.6881847      -2.29445648       4.41303682    
 O   -8.40159893      -8.46056557       6.41016150    
 H   -7.74133205      -7.77426577       6.56889963    
 H   -8.57395172      -8.44320583       5.45983744    
 O   -11.4974432      -4.73785686       10.9925385    
 H   -11.9099836      -4.39423561       11.7805767    
 H   -12.0444202      -4.44221163       10.2418337    
 O   -8.99503899      -8.00151730       3.66654396    
 H   -9.96063709      -7.86642218       3.65062666    
 H   -8.77047443      -8.48550510       2.87696934    
 O   -9.25999928      -3.22623849       9.80698204    
 H   -9.97147179      -3.62078524       10.3227806    
 H   -9.68489361      -2.85762453       9.01966190    
 O   -10.5141802      -5.22750330       6.45053482    
 H   -10.4931183      -6.05909538       6.94098759    
 H   -9.83215141      -5.28548336       5.77158022    
 O   -10.7130260      -2.65538406       7.47603226    
 H   -10.5496006      -3.56104565       7.16976833    
 H   -10.8748074      -2.13389111       6.68067741    
 O   -13.5709591      -3.27021575       4.59964228    
 H   -13.6582346      -3.92707133       5.30307007    
 H   -12.8198061      -2.70396304       4.82734919    
          69
 Energy    -248.91116176927665     
  O     14.14230334      3.18995885    -10.60458726
  H     14.21456977      2.27295296    -10.31212827
  H     14.33482566      9.25661616     -9.83124151
  O     12.37340200      3.27125767    -12.76363881
  H     13.54792483      3.18454744    -11.36972261
  H     14.29289280      7.36839019    -12.70262434
  O     16.76135794      3.39380157    -11.68099009
  H     11.77027428      3.96062993    -12.46249525
  H     14.19033566      6.24065352    -11.64394997
  O     11.60632261      7.26767792    -13.89774877
  H     12.93965789      3.68241627    -13.43484472
  H     13.59483687      4.83841304    -10.11310351
  O     13.31336945      0.60547514    -12.91459419
  H     17.09003584      4.30360823    -11.68785940
  H     12.42810741      5.75107549    -10.59613432
  O     14.45168304      0.42481221    -10.26912293
  H     15.88267384      3.40880951    -11.27943254
  H     14.77388864      0.43217662    -13.88198700
  O     16.78173211     10.35556237    -11.67781068
  H     12.00259811      7.01023068    -14.73773634
  H     15.60749691     -0.38144928    -14.89991462
  O     14.12554256      4.58882634    -14.40892517
  H     12.15523938      7.99386673    -13.56762005
  H     11.21474008      6.19399839    -12.59310415
  O     15.80223589     10.07909033    -14.28589062
  H     13.55693263      0.44813607    -11.99396234
  H     10.10199066      5.71598844    -11.63342171
  O     15.69620924      7.76207479    -15.59288248
  H     12.83950533      1.44706927    -12.92625498
  H     16.38995540      6.24224130    -12.24199320
  O     17.43093457      5.74679505    -14.82087922
  H     15.32597642      0.40287244    -10.69955218
  H     17.52278264      6.69821084    -11.31126131
  O     14.20750087      9.96870826    -10.47042705
  H     14.46062059     -0.24338434     -9.58982685
  H     16.59497506      3.18059428    -13.48309788
  O     14.61910907      6.48950412    -12.47160724
  H     17.40914451     11.07517185    -11.67606874
  H     16.21649198      2.13670915    -14.55496808
  O     13.26825992      5.75073743    -10.11866458
  H     16.50957105     10.22903454    -12.60003194
  H     16.97835799      1.52931884    -11.61455522
  O     15.64603200      0.36661231    -14.31013341
  H     14.91613820      4.04373033    -14.51699706
  H     16.54713816      0.41136216    -12.58434886
  O     11.02502288      5.60040821    -11.84384223
  H     14.33408120      5.27804369    -13.75871633
  H     12.94144856      6.08011962    -17.02044521
  O     17.31700409      6.07085465    -12.01641377
  H     15.83560569      9.23392855    -14.77244324
  H     13.49050037      5.67417395    -15.63269657
  O     16.41823129      3.07163888    -14.42994404
  H     15.78826230     10.76896012    -14.94407256
  H     14.18473162      7.00571710     -9.21499837
  O     16.77281798      0.58485328    -11.66222465
  H     14.86480475      7.35921720    -15.86139461
  H     14.62786009      7.62001392     -7.87105016
  O     13.17416066      6.42684170    -16.16267689
  H     16.31589405      7.04440501    -15.39289056
  H     17.20294601      8.82142439    -10.61432689
  O     14.72868588      7.70379814     -8.81656734
  H     17.60327805      5.90880198    -13.88329167
  H     16.50342525      7.89363037     -9.60366456
  O     17.33104239      8.02684468    -10.08107112
  H     17.22673252      4.80708874    -14.88507463
  H     14.18358302      9.46990088    -13.49185603
  O     13.51844024      9.03509281    -12.94655115
  H     15.09273162     10.22070792    -10.76363176
  H     13.61518589      9.39264149    -12.05090041
          69
 Energy    -248.91101051642519     
  O     13.27307804      7.99114253    -10.32381831
  H     14.10271698      8.07359693     -9.84183607
  H     16.56210539      5.75561627    -16.19559506
  O     14.49487223      5.52924160    -13.23298592
  H     13.28253017      8.74117242    -10.93969038
  H     16.87671012     10.31217629    -15.13724642
  O     16.55013149     10.84205778    -10.84069613
  H     13.63909451      5.70413814    -12.82086189
  H     17.69642413     11.11630535    -14.10523775
  O     18.81405573     10.64074716    -12.64457729
  H     15.07230526      5.08955277    -12.59460638
  H     15.27851289      7.17043220    -13.10400540
  O     11.70176073     11.05944891    -15.46815085
  H     17.37912085     10.81600743    -11.33184685
  H     15.02058069      8.66003446    -12.71561320
  O     12.09283206      8.50639889    -14.28988139
  H     15.95415279     11.36981508    -11.38604382
  H     12.47468531      6.95502135    -11.46002662
  O     15.02674649     12.06004834    -12.93239325
  H     19.71718995     10.88767956    -12.46280267
  H     11.28479871      6.05359066    -11.86914625
  O     15.02668438     12.25273342    -16.54197061
  H     18.75470590      9.67773966    -12.51403350
  H     16.79443847      3.64002919    -11.37099833
  O     14.84986317      5.52108797    -16.00548842
  H     12.11001187     10.87880094    -16.32470537
  H     17.18594337      4.79819843    -12.31830170
  O     16.54923228      8.59507516    -15.56864175
  H     11.63981650     10.20470743    -15.02425365
  H     18.27835004      7.58121710    -11.33738502
  O     13.90774146      8.16892243    -16.38938752
  H     12.00017322      7.74929426    -13.70111025
  H     17.38141973      8.06824430    -12.48768737
  O     17.50052181      6.01882766    -16.21921233
  H     12.71651007      8.26751563    -14.99189259
  H     18.46129733      6.37094183    -13.15758410
  O     16.98444879     11.19479178    -14.75230721
  H     14.37813655     12.58668678    -13.41615989
  H     18.05382934      5.62917472    -14.45099096
  O     15.68379160      8.04597279    -13.05261195
  H     15.69288754     11.77790817    -13.57587359
  H     16.94177141      7.28982957     -9.64509253
  O     12.08028674      6.46040274    -12.20207766
  H     14.44631188     12.72434264    -15.93117297
  H     17.14541771      5.93197029    -10.36566704
  O     16.54776405      4.52323083    -11.63391472
  H     15.79805859     11.98659271    -16.02664362
  H     13.98689117     11.13465445    -17.40123844
  O     18.30756536      8.01307600    -12.20365630
  H     14.38235978      6.32334687    -16.27086260
  H     13.20631554     10.78026653    -18.68970444
  O     18.24810209      5.49924007    -13.51539666
  H     14.67980144      5.41461090    -15.05859140
  H     15.84505444      9.07734631     -8.33384788
  O     17.61262459      6.65514562     -9.93151795
  H     16.25263854      8.40336306    -14.66341822
  H     16.05740588      9.47616262     -9.80608225
  O     13.31422052     10.53670848    -17.77439981
  H     17.01897815      7.81019408    -15.87433914
  H     12.54906815     12.46807602    -14.86069390
  O     15.80895282      8.73661216     -9.22501173
  H     13.64385038      8.88686598    -16.97798645
  H     12.56643374     13.99285581    -14.59771056
  O     13.12205539     13.21864741    -14.62161160
  H     14.82401450      8.35824638    -16.14136312
  H     13.04594650      9.49677233    -13.08636169
  O     13.59875657      9.78384919    -12.34767072
  H     17.88008413      5.62090567    -16.99790499
  H     14.00957554     10.62737897    -12.57232894
          69
 Energy    -248.91080327195044     
  O     11.37657746      9.76087852    -11.32632117
  H     11.02588386      8.99842693    -11.80169815
  H     15.59547523      5.25517771    -16.98405434
  O     13.96264519      6.94252874    -14.78672744
  H     11.79842565     10.31935672    -11.99188714
  H     18.27623470      8.14357067    -16.87478888
  O     17.98118529     10.77157102    -10.88135296
  H     13.81616468      6.64922816    -13.87709098
  H     17.51632083      6.89817400    -16.37764709
  O     17.79462320      9.67920228    -17.86950482
  H     13.27901762      7.60212134    -14.96925294
  H     15.43200169     11.63138294    -15.43922573
  O     11.99631433      8.88273807    -14.82860570
  H     17.97909011      9.86626860    -10.51791077
  H     14.69183353     12.94853869    -15.76606763
  O     15.58625584      6.94525347     -9.07571614
  H     18.36079928     11.33654567    -10.21416669
  H     16.31520234      9.25979337    -14.50763928
  O     13.43113102      6.40828682    -12.10304751
  H     18.18448336     10.01055502    -18.67303374
  H     15.25832537      8.12615812    -14.27601338
  O     15.35799195     10.30836761    -11.79412787
  H     16.92901473      9.29600883    -18.10796870
  H     16.98422407      7.44386608    -12.98511598
  O     15.42585787      8.51188656    -18.27866474
  H     12.36812156      9.59655346    -14.28825040
  H     18.42960939      6.92992188    -12.95581347
  O     15.77865061      5.08303888    -11.35435846
  H     11.43120506      8.36345225    -14.24439181
  H     11.69136536      6.86043570    -12.51535910
  O     16.96014500     10.73666705    -15.42018721
  H     15.60861633      6.21382957     -9.70244922
  H     10.16423353      6.65806629    -12.62150306
  O     15.77422328      6.14320732    -16.68370071
  H     14.85832291      7.51196001     -9.36637857
  H     19.26491510      9.50078955    -13.62342230
  O     18.35024745      7.37558829    -16.29498149
  H     14.13757034      5.80010103    -11.85288168
  H     18.66731028     10.54128229    -12.63944700
  O     14.55301665     12.04360006    -15.49789378
  H     13.53154225      7.18188560    -11.52635195
  H     19.29131825      7.53730088    -14.85572062
  O     15.97308595      8.62544048    -13.86481393
  H     15.58672211      9.69878475    -12.51310667
  H     20.67562686      7.41046159    -14.17317971
  O     17.56778030      6.81198464    -12.53812340
  H     16.19368385     10.61789294    -11.42769141
  H     17.86486120      7.70933585    -10.89989947
  O     10.86160504      7.29020975    -12.77810785
  H     14.66497028      8.98884466    -17.91380229
  H     17.12232431      7.84473355     -9.56479812
  O     18.91284013     10.39654786    -13.56168987
  H     15.45953490      7.65698060    -17.83561120
  H     12.75355336      9.55508187    -16.44296141
  O     19.76869162      7.65694399    -14.01381632
  H     16.45971836      5.62823774    -11.78370280
  H     13.75022834     10.71020725    -16.61952597
  O     17.85378914      8.21484094    -10.07815263
  H     16.15391383      4.21303183    -11.24406786
  H     14.35466669      9.18981802    -10.77911827
  O     13.39842346      9.92567544    -17.05723431
  H     17.69697021     10.73417375    -14.78864305
  H     12.84229274      8.99878141    -10.52360658
  O     13.70437376      8.57599533    -10.40933103
  H     17.29710615     10.44587232    -16.27690068
  H     13.84941723     10.80825319    -12.70654140
  O     13.11428795     10.95624399    -13.31855547
  H     15.10390598      6.34948016    -16.01174678
  H     13.49672092     11.45171746    -14.05376078
          69
 Energy    -248.91061954581153     
  O     -2.55648203     -2.02272960     -0.06118191
  H     -1.90745181     -1.57541958     -0.62389994
  H      0.69003413     -1.29996144      0.96586041
  O     -2.40605597      2.04452225      2.39507701
  H     -3.41190633     -1.62396342     -0.26868399
  H      1.65018499     -0.36990084      2.88142596
  O     -1.23091452     -1.97734409      4.51183729
  H     -2.33749612      1.07553014      2.39987933
  H      2.76758726     -1.20867415      3.51753545
  O      3.54532845     -1.89772545      0.30774742
  H     -1.79997397      2.36788800      1.71580158
  H      0.42687221     -2.00424986     -1.10285139
  O     -0.72082029     -0.72382369     -1.77231574
  H     -0.70918395     -1.32309972      4.99028154
  H      0.38314017     -3.24382277     -0.16569025
  O     -2.92914756      0.68332697     -2.56914405
  H     -0.60365631     -2.61720107      4.14170100
  H     -2.37408265     -1.21560858      1.60576581
  O     -4.80659858     -0.49383407     -0.69510919
  H      2.71618277     -2.16965118     -0.11080677
  H     -1.92818535     -1.19063731      3.12667773
  O     -2.69960441      3.27681400     -1.32158217
  H      3.67445695     -0.96915804      0.08350870
  H     -1.39568838     -5.02016863      0.54886590
  O     -0.57794177      3.11511268      0.44575151
  H     -0.11884867     -0.02906617     -1.47143657
  H     -1.63985995     -3.49772105      0.46289879
  O      3.78047627      0.91957973     -0.26101064
  H     -1.45978265     -0.27096161     -2.20433721
  H     -0.21033988      1.70239606      4.81415815
  O      1.00231709      1.12120515     -0.58256916
  H     -2.84384390      1.58480679     -2.23444914
  H     -1.22828231      2.34649459      3.83202716
  O      0.53184311     -0.52948574      1.52613421
  H     -3.65150694      0.28328096     -2.07032824
  H      3.99101891     -3.47624800      3.02261120
  O      2.30242271     -0.36780853      3.60157375
  H     -5.73695290     -0.65877707     -0.82266037
  H      3.43984314     -2.54880877      1.91470423
  O      0.94833461     -2.52560192     -0.47605128
  H     -4.73642758      0.34806731     -0.20973244
  H      0.08082287     -3.90883021      2.33585662
  O     -2.10360515     -0.65159597      2.33859575
  H     -2.73861879      4.13199868     -1.74308014
  H      1.42276753     -3.47100902      2.98630249
  O     -0.98084303     -4.17313556      0.69409838
  H     -1.94107463      3.30118424     -0.71556257
  H      1.18606892     -0.07122172      4.95493457
  O     -0.42287579      2.51400809      4.33987692
  H     -0.02792446      2.46127159     -0.01089678
  H      0.85510263      0.08418675      6.45754239
  O      3.27691254     -2.87915282      2.81653783
  H     -0.01361305      3.50043470      1.12750281
  H      3.01419351      1.18046968      2.79668333
  O      0.50088947     -3.68229372      3.17284646
  H      3.64584279      1.30341876      0.62517429
  H      2.54742700      2.57655733      2.31743077
  O      0.46600950      0.09672739      5.58622119
  H      4.56957929      1.31816828     -0.61768861
  H     -4.01438985      2.47873428     -0.17500974
  O      3.22972481      1.90568001      2.19591841
  H      1.96115952      1.13280016     -0.68203693
  H     -3.93004405      1.99218206      1.27449009
  O     -4.46771122      1.92723566      0.47450252
  H      0.83369887      0.62100034      0.23357961
  H      0.60813421      3.37374113      3.26885194
  O      1.13053975      3.82770953      2.58182189
  H     -0.38098782     -0.56597635      1.84123302
  H      1.34338443      4.69083214      2.92746765
          69
 Energy    -248.91021439308327     
  O     10.44867137     12.05093214    -11.56341072
  H     11.17389591     12.53106823    -11.12509230
  H     13.09369822     13.87634859    -10.94828730
  O     15.12037224     10.60431992    -12.77504064
  H      9.64376232     12.29872667    -11.11685395
  H     12.64618975      9.42010929    -17.25801386
  O     17.79782488     11.27371247    -15.27393000
  H     16.01496531     10.93080394    -12.62392183
  H     11.47999729      8.76144818    -18.03370991
  O     16.49138259      7.91690148    -10.94059294
  H     14.79253573     10.23228559    -11.94480158
  H     14.87496762     12.39783313    -15.44390384
  O     11.27325647     11.87006726    -14.24022804
  H     16.95334355     11.57773379    -15.64696635
  H     14.94591437     12.60307209    -16.97067387
  O     13.74002490     13.28123633    -18.09010947
  H     18.47373571     11.54188123    -15.89240006
  H     14.18995186     14.04657024    -12.85216951
  O     14.34903260      9.57469456    -16.93166403
  H     16.31947762      7.39337535    -11.73251280
  H     14.33130430     15.55384684    -12.53389623
  O     14.54957330     11.83558659     -9.01176960
  H     15.65895843      8.34489424    -10.69918208
  H     18.50028139      8.83051291    -13.33805982
  O     13.88258848     12.71257595    -13.94753927
  H     11.41813564     10.91502053    -14.31252703
  H     17.98085986      9.42861583    -14.66195785
  O     14.40521443      8.48681129    -14.36517414
  H     10.88039910     12.02021399    -13.37163527
  H     16.83524298     12.77893590    -11.23379560
  O     18.73643298      9.30312669    -11.50323499
  H     13.52737592     13.73515930    -18.90036647
  H     15.69478899     13.81783726    -11.12525021
  O     12.53672980     13.30868454    -10.40216703
  H     12.89749811     12.93723976    -17.74624721
  H     11.50892695      9.08418108    -15.41365064
  O     11.67493193      9.34634785    -17.30686825
  H     14.46287635      9.10513205    -16.09359673
  H     12.63404537      8.82177232    -14.39759359
  O     15.38672426     12.16118025    -16.22985825
  H     14.70863586     10.45718074    -16.78458372
  H     17.01895209      7.31339961    -13.86037714
  O     14.34735079     14.68719406    -12.13679722
  H     15.21816698     12.30879877     -9.53995585
  H     16.63827844      5.81253876    -13.81777006
  O     18.16002121      8.59563786    -14.21123941
  H     14.77795713     11.96921570     -8.09557698
  H     11.58806041      9.19674839    -12.53098084
  O     16.24601481     13.21793327    -10.60688418
  H     12.95283548     12.49643130    -14.09874681
  H     11.20805862     10.29313032    -11.52332355
  O     11.71199722      9.11134764    -14.47042421
  H     14.27467346     11.95921168    -13.47879416
  H     17.82196972     11.65393803    -13.43287597
  O     16.35257754      6.67836642    -13.53953386
  H     14.96243861      7.74159902    -14.11504719
  H     18.14665049     10.92822714    -12.09084903
  O     11.68669211      9.45963819    -11.60815376
  H     14.70785335      9.24534870    -13.84382294
  H     11.27621681     12.23914151    -16.10369115
  O     17.68503754     11.68601757    -12.47712665
  H     19.43892298      9.05202731    -10.91036364
  H     11.42819349     11.23320617    -17.24935671
  O     11.44949689     12.17801824    -17.05143482
  H     17.94082849      8.81362092    -11.22333832
  H     13.26870935      9.38425222    -10.78228360
  O     14.18113026      9.45072452    -10.45950335
  H     13.14035045     12.79376490     -9.85326153
  H     14.23927843     10.20836290     -9.86353374
          69
 Energy    -248.91002321081791     
  O     13.97512516      5.36162717     -9.54727521
  H     14.83284624      5.14992509     -9.93844154
  H     16.89339037      9.47554202    -12.89141623
  O     15.65095359      8.13998513    -16.59560981
  H     13.29968745      4.98705641    -10.12562761
  H     13.53342255      7.89834111    -12.02394719
  O     18.11781140      9.09846207    -14.15871113
  H     14.76575275      8.15283436    -16.20616814
  H     14.95967635      8.28440363    -12.49763101
  O     11.20041785      6.51054676    -14.81951238
  H     15.96577466      9.04850669    -16.54104183
  H     12.29734195      4.24314070    -12.18285424
  O     19.25833647      4.80331693    -11.11496170
  H     17.81722659      8.21491243    -14.42232927
  H     11.50031651      3.51830679    -11.07430198
  O     12.84311149      4.30494895    -13.84082189
  H     18.96444675      8.99238158    -13.70761545
  H     20.05661417      8.21765888    -11.85260565
  O     16.59242381      8.06136694    -10.06331260
  H     10.99795261      6.65520310    -13.87723732
  H     21.28378101      8.81388931    -12.58381917
  O     12.77292160     11.20063396    -11.92294734
  H     10.37334017      6.30497081    -15.24734050
  H     15.84681555      5.10317913    -12.45311093
  O     19.59686755      5.83163628    -13.60458230
  H     19.84050709      4.06176523    -10.97494069
  H     14.90784917      6.12460814    -13.09476670
  O     14.33626405     10.80278126    -14.20372079
  H     19.37857991      5.08617757    -12.03953370
  H     17.21599854     11.34980942    -16.33513920
  O     13.26468416      8.37925932    -15.10977058
  H     12.39078864      5.01154008    -14.31602617
  H     17.27912912     10.24391211    -15.25721298
  O     16.14701789      9.64895738    -12.30014272
  H     13.77844966      4.54633486    -13.79180204
  H     16.70947285      7.01792132    -15.64696409
  O     14.22990830      7.67091908    -12.65241983
  H     16.46753008      8.71292402    -10.76745579
  H     16.61369134      6.07809420    -14.41364831
  O     11.97443872      4.32308348    -11.26772168
  H     15.79692745      8.09344516     -9.51805464
  H     18.45499638      7.80596812    -10.14478601
  O     20.40678525      8.46918652    -12.72661037
  H     13.26900223     11.17749666    -12.75499323
  H     19.38223711      6.61689640    -10.48082181
  O     15.40345024      5.31142393    -13.28522304
  H     12.39407409     12.07491444    -11.86868246
  H     11.10313175      5.95485159    -11.74157071
  O     16.67371052     10.76686318    -15.80969005
  H     19.99193136      6.69537046    -13.43652348
  H     11.19685437      7.49122118    -11.63958368
  O     17.23029496      6.60003686    -14.94520270
  H     18.83579761      5.99148226    -14.17851777
  H     17.44809572      4.99929460    -10.79562041
  O     19.36013755      7.57822486    -10.39378307
  H     13.85489554     10.05308722    -14.58463130
  H     16.55950355      6.24538046    -10.56044568
  O     10.78849748      6.77453167    -12.14292623
  H     15.08554450     10.96093521    -14.79126872
  H     13.94262671      7.96899701     -7.77959107
  O     16.53115197      5.29448857    -10.73888461
  H     12.47897263      7.83043234    -15.21404136
  H     13.99940338      6.97336499     -8.96529844
  O     14.09004564      7.91394691     -8.71999491
  H     13.63970038      8.10444306    -14.25815507
  H     12.90931022      8.54715387    -10.04626511
  O     12.37882781      8.67490984    -10.84224353
  H     15.52104028     10.18469318    -12.80192989
  H     12.48091909      9.59190742    -11.13623797
          69
 Energy    -248.90993104971076     
  O     16.60512543      9.87591541    -11.60067431
  H     16.74650919     10.81304368    -11.42426461
  H     13.04719052      9.64837307     -9.93965747
  O     14.65940771      4.97498031     -7.22348298
  H     17.45670506      9.45534395    -11.78970540
  H     13.69827747      7.96209465     -6.57793219
  O     17.00367078     12.50578483    -10.80378892
  H     14.88408137      5.68686576     -6.61133966
  H     12.55216628      7.34854719     -7.40459035
  O     12.03464197      5.67086207     -8.07700558
  H     13.73225932      5.11010809     -7.46032231
  H     16.33454487      4.84548435    -12.74323165
  O     14.94449142      8.22316046    -13.00075178
  H     17.16990269     13.34689763    -11.21967905
  H     17.19029735      3.75918335    -13.43143601
  O     18.86285144      8.36675859    -12.01948567
  H     17.79983056     12.28028376    -10.28719049
  H     15.78495265      6.75213019     -9.44509326
  O     20.62100705      9.44587842    -10.06609068
  H     12.12691834      5.81519619     -9.03522217
  H     15.52968418      5.39454143     -8.71514469
  O     18.34433079      5.91025343    -10.74552047
  H     11.20642175      5.21653371     -7.94770789
  H     17.33745451      6.34324855    -13.97879241
  O     12.34300896      6.16659730    -10.72794829
  H     15.60510900      7.88723454    -13.62327914
  H     17.91100263      7.72735816    -13.64856535
  O     15.42067010     11.87144035     -8.47781766
  H     15.42789907      8.88837340    -12.48695831
  H     17.57060628     11.85563118     -6.16771919
  O     12.60832377      8.86145098    -11.65529624
  H     18.67656802      7.52746776    -11.57281804
  H     16.73085741     11.46797589     -7.40783971
  O     13.42698318      9.96990357     -9.11423186
  H     19.55818094      8.79351594    -11.50463627
  H     14.92964353      8.94845697     -9.19121768
  O     12.93500761      8.18880686     -7.12193596
  H     21.57366247      9.41219477    -10.03792701
  H     16.15237351      8.98122504    -10.12936232
  O     17.22875771      4.63840790    -13.06363605
  H     20.29686458      8.72444820     -9.49606136
  H     18.68798987     11.48930409     -8.41447391
  O     15.91083024      5.79329080     -9.50832781
  H     17.52875935      5.82349486    -10.22747989
  H     19.62615711     10.93912720     -9.52525251
  O     17.25742198      7.27938276    -14.19952272
  H     18.19688110      5.37441792    -11.53314024
  H     16.07218405      7.69453649     -6.13985800
  O     17.53285059     11.24547812     -6.89945200
  H     13.07488356      5.77645866    -11.22015953
  H     15.47667552      7.34444477     -4.75979299
  O     15.76826935      8.50922944     -9.37906959
  H     12.31342713      7.09124303    -11.00128002
  H     15.17285541      5.57525805    -11.09849053
  O     19.06482329     11.68518330     -9.28104954
  H     14.66463026     11.30900218     -8.69161148
  H     14.85554161      6.47016799    -12.33290164
  O     15.29551438      7.31751360     -5.69630507
  H     15.80028644     12.16014627     -9.31610339
  H     18.84011373      7.66918323     -8.04001002
  O     14.83428075      5.55899778    -12.00873883
  H     13.38583209      8.65283527    -12.19923264
  H     19.21558644      6.77121075     -9.25331226
  O     19.56279031      7.42210603     -8.63069304
  H     11.97223850      9.26709637    -12.24073404
  H     17.50736755      9.40175628     -6.94016705
  O     17.35025954      8.47252453     -7.15279038
  H     13.11778434      9.40045661     -8.39009188
  H     16.81290499      8.47851512     -7.96106865
          69
 Energy    -248.90975054345918     
  O     12.11193342      9.97506486    -15.86792179
  H     12.48487524      9.12167754    -16.12818450
  H     16.74735278     10.21229869    -17.43121207
  O     15.10799368      6.45644322    -12.75124833
  H     12.79274674     10.63714908    -16.03615090
  H     15.28406946      9.40342820    -14.27079817
  O     17.42157010     10.38278945    -12.17606404
  H     15.24907905      7.21504886    -13.34250530
  H     14.64607249      8.28544580    -15.15482588
  O     18.33006598     10.02556022    -16.58240922
  H     14.50353836      5.88343887    -13.23440372
  H     11.27240768      9.93984884    -14.37516647
  O     12.95218404      5.50211509    -14.42522458
  H     17.37168882      9.42367739    -12.05184779
  H      9.98822910     10.26410180    -13.57313975
  O     14.39181477     10.92886505     -9.42071048
  H     17.36860773     10.78546974    -11.29949225
  H     17.33728380      8.07298815     -9.94899531
  O     13.40972016      7.70813368    -10.94956111
  H     18.76141818     10.31117594    -15.76982357
  H     17.26720108      9.40459704     -9.16746033
  O     15.13340657     11.09936382    -13.58491374
  H     18.16725345      9.08025900    -16.46069876
  H     11.14783005      8.02354096    -13.12763640
  O     17.43687385      7.38621616    -16.03242287
  H     12.35318275      6.06347412    -13.89871998
  H     11.99869845      7.27907103    -12.08520010
  O     14.50341202      8.22790179     -8.43307127
  H     12.52799508      4.65210523    -14.50791946
  H     18.78803559     10.51702261    -13.34580387
  O     19.21210994      7.56582671    -13.83856822
  H     13.87304921     10.87913360    -10.23382449
  H     20.22508314     10.97600391    -13.67776366
  O     15.85839586     10.11177102    -17.80566100
  H     14.30081881     10.06873033     -8.99151379
  H     18.15310686      7.48509849    -12.40301394
  O     15.36698791      8.48310792    -14.54141425
  H     14.06589526      7.23259473    -11.47835906
  H     16.71419524      7.06166361    -11.99534772
  O     10.85857168      9.88358390    -13.49434251
  H     13.74397791      7.77582509    -10.04730837
  H     16.09678918     11.25059762     -9.51587058
  O     17.11697999      8.45541543     -9.08774720
  H     14.41359847     10.89194201    -12.97045437
  H     17.34295332     12.02669779     -9.02446195
  O     11.45388683      7.14529377    -12.87318458
  H     15.96562230     10.96976661    -13.11102198
  H     15.61565253      8.42954609    -18.10599038
  O     19.49976824     10.44801048    -14.00242747
  H     16.94733026      7.18159971    -16.83602528
  H     15.58162234      7.25034255    -19.10758706
  O     17.46343957      7.60973173    -11.73284336
  H     16.78403966      7.80179401    -15.44707771
  H     13.25775403      9.40173680    -11.56733872
  O     17.06770147     11.30463107     -9.58221621
  H     14.39235161      7.85594338     -7.56262332
  H     12.28739451     10.29383103    -12.37124199
  O     15.51168861      7.46139968    -18.18078259
  H     15.46020846      8.23802287     -8.61737286
  H     14.63066343     11.64502061    -15.20267447
  O     13.11318004     10.31022384    -11.87175164
  H     18.71989080      7.33350823    -14.63741941
  H     14.28367233     12.74575042    -16.23021645
  O     14.28126382     11.80100644    -16.09613923
  H     19.48289905      8.48405373    -13.95622960
  H     14.07311293      7.37130404    -17.01086587
  O     13.43073959      7.55660861    -16.31241926
  H     15.28867858     10.70017264    -17.29997552
  H     13.27896175      6.75198979    -15.80014290
          69
 Ord_Energy   -248.909515    
 O  -0.455765754      -4.94241142       1.76681542    
 H   -1.03002691      -5.63593864       1.45354688    
 H   -1.02475393      -4.17786551       1.96797907    
 O    1.91393363      0.793437541       7.02542353    
 H    1.46942091      -5.03687598E-02   7.17307854    
 H    1.35684383       1.30398321       6.42629004    
 O    4.73292303       2.11034513       3.95436645    
 H    4.67114305       1.76300871       4.85308027    
 H    3.84631705       2.38475633       3.69688582    
 O    4.56492901      0.979714394       6.56182098    
 H    3.61481595      0.916738749       6.76754332    
 H    4.99333239       1.31887507       7.34318256    
 O    3.15565324     -0.932937384       3.09151411    
 H    3.42174578     -0.473562717       2.28592777    
 H    2.26237941     -0.649643123       3.32596755    
 O   0.751799345      -1.77572703       7.43044186    
 H    1.49364245      -2.30461073       7.08106565    
 H   0.567901194      -2.10568929       8.30625725    
 O    4.01282835      -2.20367479     -0.489965707    
 H    4.63412905      -2.75639892       8.75830010E-04
 H    3.13786411      -2.59157968     -0.366879076    
 O    4.73706913      -1.51721394       5.24100256    
 H    4.80591965     -0.733223975       5.79847956    
 H    4.18611002      -1.24920046       4.48743773    
 O   -1.79348147      -2.66866469       2.41972160    
 H   -1.37071323      -1.97018528       1.90342009    
 H   -1.55071712      -2.51829195       3.34205151    
 O    5.79360390      -3.64068675       1.27307951    
 H    6.49817753      -4.25920391       1.10206342    
 H    6.14195347      -2.98320007       1.90274024    
 O    6.57080221      -1.78623426       3.08089304    
 H    6.08144951      -1.78525817       3.91350293    
 H    6.57128239     -0.872377396       2.76983285    
 O   0.429802597       2.19653797       5.03910589    
 H    1.02855265       2.57192111       4.37187910    
 H  -0.326478094       2.77587342       5.09192085    
 O    2.70625377      -3.23377156       6.28626585    
 H    2.34891868      -3.79788613       5.59242249    
 H    3.46914220      -2.76593852       5.92165709    
 O  -0.490477711      -2.46373606       4.98471642    
 H   0.100918390      -3.17858887       4.70298672    
 H  -0.245792732      -2.24599504       5.89243364    
 O    1.22160411      -4.47125673       4.05432367    
 H   0.625555694      -4.81577492       3.37800908    
 H    2.03035307      -4.23912096       3.57136273    
 O    2.12944555       3.06238008       3.05718017    
 H    2.28826284       3.94423389       2.72904301    
 H    1.90130162       2.51604629       2.28236437    
 O    1.60219908       1.54067969      0.905133188    
 H    2.46563530       1.15262091      0.697568834    
 H   0.958422959      0.832956076      0.788233578    
 O    1.49911177      -3.20938563      0.550963044    
 H   0.814378858      -3.86013675      0.744188428    
 H    2.16436481      -3.34671903       1.24094236    
 O   0.575691402     -0.278839737       3.72138333    
 H   0.185776189      -1.01176560       4.21784544    
 H   0.412473202      0.537791431       4.20407200    
 O    3.34920144      -3.60933876       2.60274148    
 H    4.20534706      -3.78679895       2.19708705    
 H    3.31741023      -2.65829134       2.79190063    
 O    6.35860443      0.902160227       2.15599561    
 H    7.08724689       1.48385561       1.95624161    
 H    5.80827665       1.35750401       2.81888437    
 O    4.02724695      0.253932834      0.707410097    
 H    4.90675497      0.474998176       1.03431690    
 H    4.08179569     -0.565791428      0.192407325    
 O   -9.23680980E-03 -0.833413661       1.07512319    
 H   0.203616768     -0.611263692       1.99498177    
 H   0.551896334      -1.58184052      0.829388320    
          69
 Energy    -248.90948626955117     
  O     17.01074699     10.80511184    -17.66135473
  H     16.07978877     11.04934786    -17.61549677
  H     21.92450399      9.70778632    -16.95015118
  O     17.90114136     14.25267525    -12.13794097
  H     17.14937827     10.18784379    -16.92592554
  H     16.56325016      9.20471203    -14.85558453
  O     19.80688401      8.62074999    -14.35496764
  H     18.18062214     13.59575784    -11.47507539
  H     18.10664898      9.04206515    -15.03460846
  O     15.84091760      6.92918750    -18.76344753
  H     18.29325200     15.08386843    -11.88567433
  H     14.50991662     11.51826042    -16.17583793
  O     15.79086596     11.21763495     -9.95088872
  H     19.69243563      7.66315818    -14.38403563
  H     13.58026575     11.69198553    -17.39740569
  O     15.11927489      9.44264578    -13.63957649
  H     20.33035115      8.90281930    -15.11750988
  H     16.30534522      9.60613299    -10.78384914
  O     17.84424929     12.35407029    -14.22482927
  H     16.49267788      6.69889183    -18.07936260
  H     17.46415065      9.39313624    -11.77809399
  O     18.97025395      5.90517564    -14.32905690
  H     15.67715257      6.13340142    -19.26394149
  H     14.18604301      9.19114800    -16.97155906
  O     14.29266439      6.94114538    -14.50098540
  H     15.53551252     11.85485696    -10.64179429
  H     14.66746462      7.86176353    -17.61443356
  O     17.65991278      6.63728693    -16.72467613
  H     15.22176071     11.38352548     -9.20397180
  H     18.76435494     11.52287049    -11.06180457
  O     16.72837702      6.54297245    -12.95597913
  H     15.59667085      9.30012477    -12.81075643
  H     17.63190730     11.87588310    -10.08728089
  O     21.02368670      9.62297887    -16.64971163
  H     14.67981095      8.61452818    -13.86702034
  H     18.41955052     11.02814316    -13.13014082
  O     17.26421297      9.07980641    -15.50513924
  H     18.00357784     13.14120383    -13.69108170
  H     19.29795691      9.74861086    -13.05659837
  O     14.27091707     11.13988479    -17.03916528
  H     18.43217138     12.34270554    -14.99512458
  H     16.07665492     13.59371265    -11.99162297
  O     16.66852287      8.97259110    -11.41561125
  H     19.37080168      5.12459096    -13.95646573
  H     15.05419383     12.77681170    -12.79990675
  O     14.16705804      8.23221054    -16.87662059
  H     18.17770976      6.09797761    -13.79432462
  H     19.08475452      7.40550081    -17.77109340
  O     18.47112673     12.20012377    -10.43550808
  H     14.24062887      7.34497109    -15.38660197
  H     19.04780248      8.39738017    -18.93804337
  O     18.77355643     10.36050501    -12.52382621
  H     13.49891012      6.42410894    -14.39094965
  H     15.00499941     11.08829297    -14.19730761
  O     15.27894672     13.05710282    -11.90466906
  H     17.41664850      7.49781191    -16.34684474
  H     16.07492150     12.15226601    -14.54819510
  O     19.64206323      8.00123168    -18.28424965
  H     18.11064226      6.16890516    -16.01370882
  H     19.93955709     11.23960478    -16.55732505
  O     15.12116167     11.97941854    -14.56582682
  H     16.69899437      7.26361631    -12.31418803
  H     18.55185996     11.69125694    -17.05220474
  O     19.29911356     11.95729797    -16.49779900
  H     15.92024624      6.60241870    -13.47969776
  H     16.90258024      8.36055245    -19.59766043
  O     17.55733986      9.04410060    -19.78094134
  H     20.56401925      9.05497741    -17.29524266
  H     17.36966953      9.75275775    -19.14887197
          69
 Energy    -248.90943507909097     
  O      3.65004490     -6.56913150     -0.95299521
  H      4.16738547     -6.13053577     -0.25447958
  H      3.51054017      0.21240395      0.79903228
  O     -0.14819359     -0.68270021     -1.78003726
  H      4.17281230     -7.30715824     -1.25641726
  H     -2.13696952     -6.79859822      0.52561971
  O     -0.68206969     -4.84918027     -1.43782123
  H      0.20367714     -1.45117545     -2.26574960
  H     -0.65191047     -6.95450489      0.90127704
  O      1.13207890     -0.68710888      2.98890328
  H     -0.58563438     -0.13005673     -2.42173125
  H      2.33091057     -4.81497711      2.73329511
  O      5.17632834     -2.31554549      0.67195513
  H     -0.06300954     -5.42241172     -0.96477209
  H      0.94685990     -4.11614736      2.43088551
  O     -3.59805689     -3.90920566      0.80460282
  H     -1.54396423     -5.28206062     -1.40861061
  H     -0.99045063     -3.35227937     -0.42215098
  O     -0.46147833     -3.01885396      2.69168609
  H      0.55083443     -1.45478528      3.03468743
  H     -0.95400371     -1.80787486     -0.47378025
  O      0.71581857     -2.96570026     -2.96813777
  H      1.24132427     -0.48437071      2.04919516
  H      4.47558594     -1.72949031      3.79186016
  O      5.61721840     -2.82469202     -2.06241016
  H      5.09936703     -1.35878459      0.81442959
  H      5.15165582     -2.44094011      2.60585149
  O      3.19093936     -4.13412673     -2.33753382
  H      4.26422341     -2.61393274      0.52091907
  H      3.50994845      0.52391110      4.66317841
  O      2.57157813     -2.97580378      0.13192161
  H     -3.32199765     -4.23831778      1.66911948
  H      2.66777908     -0.33135652      3.68674761
  O      4.38294557      0.23761012      1.21620662
  H     -2.91714386     -3.27549140      0.54009894
  H     -2.00792581     -5.78345317      2.51224178
  O     -1.54299466     -6.94643965      1.27247216
  H     -0.70697770     -2.77692505      1.78498343
  H     -2.71399319     -5.51469161      3.86167739
  O      1.62871899     -4.70559038      2.08066480
  H     -1.11898223     -3.66138676      2.98636627
  H     -3.45245210     -5.25404301     -0.31586951
  O     -1.23139939     -2.55351605      0.06961151
  H      0.16313055     -3.65872948     -2.58087192
  H     -3.97161306     -6.28938897     -1.34441230
  O      4.91557894     -2.55022270      3.53438486
  H      1.61488166     -3.31620456     -2.93489740
  H      4.16785324     -5.48952893      4.43472992
  O      3.57796304     -0.12424711      3.96785717
  H      6.17138210     -2.18516348     -2.50391490
  H      4.27155391     -4.12556151      3.70567769
  O     -2.32964998     -5.08066023      3.10474885
  H      5.60645664     -2.56831398     -1.12852668
  H      1.12668294     -0.25301686     -0.44578853
  O     -3.19073632     -6.00593276     -0.87757924
  H      4.05386876     -3.69492271     -2.36870412
  H      2.03971453     -1.28720447      0.22943891
  O      3.91035970     -5.02909102      3.64118699
  H      3.34013328     -5.02994759     -2.01174733
  H      1.85545312     -6.64727991     -0.31777598
  O      1.76491779     -0.35700634      0.26809121
  H      2.64327808     -3.40284842     -0.73096111
  H      1.20568659     -5.88496068      0.85579694
  O      1.00670894     -6.45561844      0.09603176
  H      2.24743252     -3.61804289      0.77534384
  H      4.71021640     -5.29237813      1.91001014
  O      5.03948884     -5.25715858      1.00321163
  H      4.20988739      0.26196586      2.16536253
  H      5.33757772     -4.35215694      0.86653761
          69
 Energy    -248.90908375458397     
  O     -6.48000668      3.27063740     -2.06038845
  H     -6.32321075      2.91894436     -1.16764947
  H     -4.13412155      0.85871826      2.53965791
  O     -2.10396355      2.91992537     -4.13789688
  H     -7.31766959      3.72666651     -2.03081409
  H     -0.51209025      1.60981453      2.03789935
  O     -5.70971980      2.11971414      0.31183038
  H     -2.69951297      3.43084194     -3.56026695
  H      0.54154486      2.72587568      2.05506569
  O     -3.10727029     -0.31373905      1.67655289
  H     -2.17661893      3.30178061     -5.00878826
  H     -1.68569852      4.16409880     -0.26979068
  O     -0.11943034     -0.36620911     -1.20106236
  H     -5.58985183      2.05262110      1.26492761
  H     -0.80122594      3.15962795      0.52817436
  O     -3.38358150      0.59217165     -3.14779119
  H     -4.82729173      1.96810438     -0.06472772
  H      2.56137511     -0.45311554      1.08003321
  O     -4.26573124     -2.22811486      0.02594566
  H     -3.45956643     -1.06838206      1.18481715
  H      3.03317664     -0.85438005      2.49911374
  O     -2.31403299     -1.74851292     -2.04681899
  H     -2.14634674     -0.40793652      1.74388099
  H      2.40199396      2.53562557      0.53962594
  O      0.06619597      2.19040031     -2.45711886
  H     -0.12493531      0.45230658     -1.71100187
  H      2.41133885      1.60661029      1.76556785
  O     -0.37772451     -0.18848548      1.53979181
  H     -0.83769329     -0.92717787     -1.52909915
  H     -5.23360438      0.55252334     -3.33823193
  O      2.62155089     -0.45905347     -0.66378635
  H     -2.93829407      1.28443489     -3.64827565
  H     -6.36542043      1.52879663     -2.98130122
  O     -4.68729278      1.57170564      2.90289717
  H     -3.34539326      0.87345665     -2.22001284
  H     -6.19414429      0.30885724     -0.22272215
  O     -0.40750190      2.56198263      2.16654202
  H     -5.00804692     -1.66213195     -0.25624984
  H     -6.30727015     -0.28617861     -1.62789130
  O     -1.10368351      3.40005924     -0.35876351
  H     -4.61779777     -3.10638742      0.14292447
  H     -2.47101822      2.12882966     -0.45674319
  O      2.40002960     -0.31680562      2.03175903
  H     -2.96948254     -1.99267388     -1.38373148
  H     -3.04486474      0.83021816      0.19529754
  O      2.24870990      2.51846534      1.49173794
  H     -2.72336793     -1.05729665     -2.58619923
  H     -3.16677357      4.76199521      0.95167166
  O     -6.19236645      0.61106717     -3.22007854
  H     -0.29473549      2.67301805     -1.69440436
  H     -3.12724796      6.17987596      0.33999416
  O     -6.22644538     -0.53047126     -0.69426426
  H     -0.54104498      2.37886297     -3.18090059
  H     -3.65006626      4.63645279     -1.63636565
  O     -3.16892352      1.46638828     -0.51998418
  H     -0.31548670     -0.24199262      0.57297626
  H     -4.75701034      3.94433403     -2.45031741
  O     -3.12838296      5.25381053      0.11131681
  H      0.51638123     -0.32828620      1.87353330
  H     -2.07176871      3.42353333      2.48930691
  O     -3.84235737      4.24983619     -2.49841322
  H      2.81197772      0.43673609     -0.96851228
  H     -3.57242758      3.09295766      2.64544630
  O     -2.95953905      3.79612754      2.40209375
  H      1.70616773     -0.62244406     -0.93359118
  H      1.77357540      2.29012933     -1.85917772
  O      2.62703076      2.30922791     -1.39656351
  H     -5.01642311      1.26300098      3.74316982
  H      3.21028153      2.84733707     -1.92662788
          69
 Energy    -248.90880423810938     
  O     -6.08020026      0.60807818      1.23395335
  H     -6.66338137      0.31736887      0.52250600
  H     -1.04387005      0.31945897      3.44580349
  O     -5.66116819      0.99778781     -3.05212191
  H     -5.73809980      1.47160624      0.95868787
  H      0.06508946      2.93679152      2.19548859
  O     -4.90935838      0.91802578      3.79584921
  H     -6.29534905      0.74667179     -2.36986636
  H      0.10660107      4.06703751      1.16192566
  O      0.57567082     -1.22804456      1.21657866
  H     -5.27826136      1.84522258     -2.79697342
  H     -2.00099447      5.12853512      1.01212760
  O     -1.87071494     -1.00265297     -0.12021373
  H     -5.45315192      0.81823814      3.00437992
  H     -1.02824051      6.20723975      0.48381003
  O     -4.09645653     -1.13823334     -3.61704327
  H     -4.43828234      0.08265317      3.90091422
  H     -4.02583244      2.41663058      0.49452263
  O     -4.25363960     -1.54459871      1.16096443
  H      1.31321725     -1.82244649      1.11220931
  H     -4.88996431      3.18032753     -0.53670240
  O     -1.54266676     -0.29205931     -2.75453626
  H      0.83316716     -0.38575363      0.79700278
  H     -1.50422563      4.14273930     -0.98229945
  O     -4.46170353      3.48755003     -2.33742552
  H     -1.08092230     -1.21603694      0.39240840
  H     -1.06392889      3.00677976     -1.98915400
  O      1.15864417      1.10039718     -0.00235514
  H     -2.65526258     -1.30061673      0.35957702
  H     -4.98412223     -2.15614808     -0.48803525
  O      0.13624112      1.79125855     -2.62090940
  H     -4.35692158     -1.50069500     -4.46009813
  H     -4.88172121     -1.96570448     -2.02805824
  O     -0.97899137     -0.64417051      3.51078745
  H     -4.64373230     -0.34513038     -3.47353577
  H     -1.74288251      1.93425568      2.14542515
  O      0.63159726      3.34627554      1.52621585
  H     -4.01765667     -1.70243925      2.08379231
  H     -2.02180946      2.49580275      3.56273179
  O     -1.22580832      5.27531930      0.44062912
  H     -4.84279395     -0.77670739      1.16399820
  H     -3.49239177     -2.21061247      4.55647231
  O     -4.85354464      2.91627324      0.39016056
  H     -1.60696245     -0.61561862     -1.84384091
  H     -2.55587204     -1.27020226      3.75889301
  O     -1.81889763      3.46767214     -1.59910240
  H     -2.36797151     -0.56171995     -3.17223260
  H     -2.10668952      2.21257763     -0.23270909
  O     -5.48432500     -2.20412126     -1.31311170
  H     -4.63169753      4.27407754     -2.85012616
  H     -2.22874530      0.73831371      0.25106551
  O     -1.35111189      2.06125644      3.02351813
  H     -3.50657757      3.47396137     -2.15504796
  H     -4.06471842      4.27388047      1.40565074
  O     -3.47875758     -1.57081372      3.85022859
  H      0.88562656      1.32324953     -0.89771784
  H     -3.46852067      4.37868164      2.81197581
  O     -2.42912981      1.65342173      0.48486719
  H      1.05978019      1.90757924      0.52432826
  H     -6.76598734     -1.02545323     -1.20172531
  O     -3.44550356      4.78936978      1.93936089
  H     -0.45997475      1.02739954     -2.73855266
  H     -8.24934056     -0.59114918     -1.28840130
  O     -7.37145303     -0.26728805     -1.10545002
  H      0.74126139      1.78660519     -3.35738687
  H     -3.73934105      3.46731953      5.21936385
  O     -3.56574984      3.21684237      4.31609520
  H     -0.37003949     -0.91184113      2.81287014
  H     -4.09297812      2.41592496      4.14289645
          69
 Energy    -248.90872348745557     
  O     -1.77128227     -2.87449520     -1.98560676
  H     -1.38643519     -3.15500072     -1.14462780
  H      2.38246901      0.20562778      0.65638026
  O      2.40903054     -2.70492609     -0.17395050
  H     -1.15614804     -2.20673491     -2.33407698
  H     -1.60062307      0.10722679      0.74050302
  O      0.42260864     -3.76539041     -5.17293299
  H      2.47033719     -1.98720175      0.46730524
  H     -2.61412636      1.23875501      1.03741208
  O     -0.52198860     -1.08452463      1.37414234
  H      2.54742893     -2.30386128     -1.04511835
  H     -0.03061233     -0.93803988     -4.59328060
  O     -2.65783181     -0.92703908     -6.28039344
  H      0.39502526     -2.82923329     -5.41385946
  H     -0.79677926     -0.86865267     -5.93918049
  O     -0.60838329     -5.28028062     -2.99931296
  H      1.32859748     -3.93462733     -4.88433425
  H     -0.89684143      1.38330631     -0.89659996
  O      3.56768394      0.81729578     -3.40172382
  H     -0.52674532     -2.01090066      1.10472168
  H     -0.44885398      2.04350373     -2.25143776
  O     -2.42539258     -3.18222198     -4.80548195
  H      0.40572750     -0.82983240      1.45451268
  H      0.95460720     -1.27309474     -2.72606490
  O      3.00599815     -4.18402100     -4.05712360
  H     -2.68353003     -1.75837948     -5.77278266
  H     -0.05555059     -0.14509187     -2.34697594
  O      2.47462295      1.21095866     -0.74406274
  H     -3.18653970     -1.06494128     -7.06133553
  H     -0.11039476     -4.61383747      0.09132117
  O      2.69158916     -1.72970569     -2.73076676
  H     -0.17989212     -4.93869033     -3.79240369
  H      0.69107024     -3.30566523      0.03251709
  O      2.26101468     -0.40173948      1.40896909
  H     -1.10015119     -4.52579602     -2.65023384
  H     -1.20477962      3.63303171     -4.10828681
  O     -2.15009860      0.79962138      0.32989033
  H      2.81642933      1.08435641     -3.96233310
  H     -1.61009802      2.13984477     -4.02781560
  O      0.08397516     -0.96853379     -5.55715079
  H      4.34184908      1.24185406     -3.76065848
  H     -3.06870810     -0.04452759     -1.09795584
  O     -0.16018772      1.49440065     -1.51094289
  H     -2.45755411     -3.11187698     -3.84508630
  H     -2.99816058     -1.38125691     -1.84830235
  O      0.02942939     -0.99903333     -2.78861883
  H     -1.55635670     -3.55259385     -5.00471257
  H     -3.08801595      0.46512198     -3.39696364
  O     -0.19630400     -3.65944491      0.19741784
  H      3.74036340     -4.60422322     -4.49702648
  H     -2.86109959      0.36863276     -4.92900889
  O     -0.87758583      2.76795716     -3.87910066
  H      2.93419952     -4.59637839     -3.17695345
  H     -0.00598714     -6.04409581     -1.57514090
  O     -3.38572630     -0.49958521     -1.88799703
  H      1.55428800      1.40081689     -0.98061192
  H      0.03231631     -7.20335959     -0.54942345
  O     -2.82771090      0.97286205     -4.17918753
  H      2.94703292      1.13109996     -1.57878509
  H      0.68731294      1.96133541     -4.61988679
  O      0.34605137     -6.31738561     -0.70739418
  H      3.12629076     -0.92369708     -3.03754927
  H      1.03966922      0.63416663     -5.31850283
  O      1.42908914      1.43162796     -4.93575837
  H      2.90707751     -2.46307554     -3.31935213
  H      2.82886586     -4.37443580     -0.93494005
  O      2.81557497     -5.14474943     -1.51892908
  H      2.76308409     -0.04466651      2.13624770
  H      2.06067085     -5.67049976     -1.22815244
          69
 Energy    -248.90868709008663     
  O     16.43414837     11.51602864    -14.74552299
  H     16.92993075     11.29331047    -15.54882642
  H     19.85145757      5.33823085    -16.63848731
  O     13.56242859      6.27241586    -16.39130554
  H     16.71689376     12.38818114    -14.47945061
  H     19.56039557      7.89651369    -16.98532512
  O     17.93057186      7.03638492    -12.09282771
  H     13.58319637      6.20390631    -15.42672589
  H     18.46458274      8.04491057    -15.91797109
  O     19.70966583      6.49224063    -18.20602906
  H     13.36289380      7.19011979    -16.60251543
  H     16.63659278      7.97523528    -14.69306115
  O     17.06839133      6.39840070    -18.84139426
  H     18.73952804      6.94865088    -12.61857586
  H     16.34103831      7.79648654    -16.22161654
  O     13.81928226      8.01670256    -10.00397323
  H     17.49407738      7.83996143    -12.40809050
  H     13.64564322      9.95939000    -14.05473073
  O     13.82537753      6.10555628    -13.59989219
  H     18.77419099      6.41498107    -18.46693125
  H     14.57678469     10.93413958    -14.81415857
  O     16.51305217      9.11340887    -13.26084720
  H     20.22715040      6.29003613    -18.98063669
  H     15.65692208      4.27144084    -11.45327206
  O     16.97377362      4.67765141    -15.58705485
  H     16.45792220      5.70597213    -18.56086463
  H     15.55623812      3.20235849    -10.34068138
  O     12.84363825      5.50287220    -11.09506581
  H     16.63638519      7.23242169    -18.61381203
  H     13.32927182      9.60166584    -16.27112027
  O     15.16963448      4.56892015    -17.74439922
  H     14.69951554      7.60662255     -9.92217385
  H     12.40025495      9.36361792    -17.48612586
  O     19.77408391      4.88586800    -15.79049694
  H     13.61933070      8.40852724     -9.15836529
  H     20.01176565      6.12698081    -14.45477309
  O     19.23123676      8.49711463    -16.30358734
  H     13.30707770      5.83490121    -12.82745856
  H     20.01825304      7.65018833    -14.52897406
  O     16.81152449      7.42325181    -15.46539437
  H     14.70805320      5.73731684    -13.46273145
  H     16.91637314      5.63881902    -12.66907351
  O     13.71651137     10.50213955    -14.85303030
  H     16.58801516      9.98372710    -13.66704095
  H     16.57947819      4.65860691    -13.83650654
  O     15.27899864      4.08380103    -10.57578833
  H     15.58960716      9.00749783    -12.98923357
  H     16.90771103      6.84886635    -10.51180203
  O     13.20459031      9.06233722    -17.07232468
  H     16.95671252      5.64828499    -15.54097484
  H     15.94550132      5.77760253     -9.95740007
  O     20.00464243      6.92271977    -13.90139577
  H     16.38819860      4.44182437    -16.31492465
  H     18.39668693      9.96572871    -16.76405966
  O     16.31616865      4.93203779    -12.94782094
  H     13.01370271      6.33878005    -10.64418335
  H     18.28136016     11.20328251    -17.68642469
  O     16.19181716      6.70781150     -9.87854525
  H     13.56300450      4.91590721    -10.82674085
  H     13.75769027      8.61168275    -11.74578935
  O     17.81692747     10.70656421    -17.01741569
  H     14.63455238      3.88959366    -18.14516574
  H     13.79416524      7.83933365    -13.08897815
  O     13.84824998      8.72525110    -12.70045572
  H     14.55745379      5.17378212    -17.28631746
  H     14.93808165      8.92047956    -17.63850904
  O     15.87073751      8.71649170    -17.78921214
  H     18.84174994      4.64022012    -15.71973369
  H     16.39182854      9.50986105    -17.62497208
          69
 Energy    -248.90841997204814     
  O      1.41072086      0.82819728      3.99867968
  H      2.17238717      1.13458103      4.48379800
  H     -4.75083124      4.13922104      1.00406256
  O     -0.93068061     -1.42543307     -3.30628993
  H      1.02316035      0.09625096      4.51443262
  H     -1.79977945      1.16626914      5.30541298
  O      0.13808322     -1.08041530      5.39995425
  H     -1.60783883     -1.09285552     -2.69972633
  H     -2.97107613      0.20454704      5.56277095
  O     -2.43132458     -0.48674531     -1.13373313
  H     -0.64107611     -2.26530389     -2.93073225
  H     -2.25918792      3.27886880      1.00408932
  O      0.06601100     -3.62831830     -1.70252499
  H     -0.66076556     -0.62421937      5.70461560
  H     -0.98580948      2.51219905      0.54810820
  O      1.86004065     -1.70562074     -0.99044680
  H     -0.13508422     -1.97170358      5.16073609
  H     -3.54905618      0.38257167      1.19083252
  O     -3.95720727      2.59978324      3.72497194
  H     -1.68443823      0.06333533     -0.85598727
  H     -4.35194762      1.58113357      0.62885394
  O     -3.51554627     -3.06455446      4.18696411
  H     -3.21609214     -0.09872289     -0.72557120
  H     -1.77871417      0.65819746      2.77929288
  O     -1.07426777      2.13437672      3.70056059
  H      0.53612185     -4.40077166     -2.00490330
  H     -1.67192877     -0.83517108      2.33957013
  O      1.07029458      0.35751814     -2.81914020
  H      0.73970458     -2.99163981     -1.40241365
  H     -1.44425210     -3.40558919     -0.65180891
  O     -4.32715296     -0.26978206      4.21649041
  H      1.76234366     -0.99612769     -1.63785225
  H     -2.30739525     -2.14045660     -0.44408905
  O     -4.20299961      3.36759356      1.11967200
  H      1.83082055     -1.27597996     -0.12623926
  H      0.66976444     -1.08639315      1.66175441
  O     -2.10566642      0.46847990      5.89684662
  H     -3.00374908      2.59702998      3.87145867
  H      1.45177479      0.10901984      2.25014324
  O     -1.32792587      3.13232970      1.20605312
  H     -4.26699735      1.72450366      3.98478603
  H      0.28288422      0.64243162      0.24154366
  O     -4.25939320      0.62237288      0.57373898
  H     -3.83183178     -3.28656586      3.30165059
  H      0.24496190      1.02811297     -1.25987263
  O     -2.26939530     -0.08069659      2.39910348
  H     -3.87050847     -2.19147232      4.38451671
  H     -1.85450513     -3.44251337      4.46055301
  O     -2.14467138     -3.03275300     -0.10069419
  H     -0.17511631      1.80818844      3.83347209
  H     -0.75663830     -4.43998372      4.90837312
  O      1.25647195     -0.35034291      1.42584958
  H     -1.08731876      2.60012050      2.84658069
  H     -1.09320831     -2.66306720      1.35153975
  O     -0.24023732      1.10530531     -0.42899894
  H      1.42753603      0.77005663     -3.60050333
  H     -0.62462814     -2.83044496      2.84447076
  O     -0.89258574     -3.59833809      4.48249813
  H      0.36406028     -0.24507389     -3.11390899
  H     -3.60189353     -3.41803068      0.90799123
  O     -0.56912925     -2.26957006      2.06089622
  H     -3.55153040     -0.25168204      3.63111488
  H     -4.81286574     -4.33057364      1.18528735
  O     -4.35222707     -3.55822365      1.50665947
  H     -5.06108679     -0.52827930      3.63935541
  H     -5.48229887     -0.49036563      1.47365273
  O     -5.85990022     -1.12791937      2.09591294
  H     -4.20254361      3.16267185      2.07202322
  H     -5.46798230     -1.97518042      1.85532721
          69
 Energy    -248.90831663456902     
  O     13.53482817      7.06694404     -7.97655630
  H     13.35574043      7.06033073     -7.04027251
  H     12.71319990      5.93031865    -15.28852714
  O     14.20519088      4.99069268    -15.60430599
  H     12.72127398      6.76845776     -8.42171833
  H     16.00667077      8.68882608    -12.46298786
  O     17.26601556      6.44760052    -14.05080654
  H     14.91747686      5.38403438    -16.12100565
  H     14.78644782      8.12774996    -13.21475320
  O     10.15044357      6.06650373    -12.89604101
  H     14.65143364      4.49735824    -14.90418199
  H     12.87489348      7.97837470    -12.27528639
  O     17.98527181      4.74379338    -10.25159285
  H     16.68185418      7.18110073    -13.81404659
  H     12.83658551      7.00824604    -13.50460305
  O     11.41980907      4.13473525    -11.18623910
  H     17.17852391      6.33304507    -15.00625732
  H     10.76251837      6.90818037     -9.76862598
  O     16.60502229      8.26692039    -10.77785754
  H     10.53354978      5.32613914    -12.40892781
  H     11.30990521      5.47430617     -9.83946861
  O     13.28845139     10.46017971    -13.83903895
  H     10.66603564      6.16009366    -13.70742682
  H     14.62385378      4.47813322    -12.26471950
  O     17.49286636      2.58659661    -11.87011709
  H     17.16946269      5.11312175     -9.88757506
  H     13.76169606      5.74547371    -11.98550697
  O     15.32355978      8.67045996    -16.18091429
  H     18.40694120      5.46464947    -10.73332419
  H     16.09521007      7.19770919    -16.65842705
  O     12.50460294      9.10304778    -16.06370732
  H     11.30433521      3.19020435    -11.12401751
  H     16.88346286      6.27806543    -17.62582975
  O     11.99660721      6.51860780    -15.00102866
  H     12.36609111      4.29254369    -11.34843318
  H     16.41152729      3.42069898    -13.00739607
  O     15.60586996      8.63415474    -13.34092158
  H     17.49977918      7.99763787    -11.01627430
  H     16.37976018      4.83994510    -13.63204389
  O     13.34449736      7.26241548    -12.72182032
  H     16.20068123      7.47777187    -10.38567403
  H     19.79160417      7.17371596    -12.12136960
  O     11.31318025      6.27190273     -9.29669780
  H     14.19120595     10.19439760    -13.64147542
  H     18.43187397      6.70759579    -12.68640550
  O     13.99495739      4.86758719    -11.64246195
  H     12.78430704     10.25668198    -13.03663288
  H      9.88779750      7.33607278    -11.73261632
  O     16.51031194      6.32025033    -16.74995891
  H     17.71048371      3.30054283    -11.24648056
  H      8.90114398      8.22782850    -10.94068620
  O     15.84914141      4.04548078    -13.48883153
  H     17.88813412      1.79540427    -11.51578984
  H     14.91078002      6.27577835     -8.93871607
  O     18.89949706      6.94779531    -11.86950805
  H     15.50898963      8.80221596    -15.24237185
  H     14.99039863      5.50295929    -10.27858086
  O      9.82070546      7.98575473    -11.00892844
  H     14.37395756      8.80814792    -16.28222483
  H     13.93785215      8.60949512     -9.00253039
  O     15.52408326      5.96251277     -9.61434530
  H     12.70795489      9.64066582    -15.27715913
  H     15.01138876      9.15265132     -9.96686121
  O     14.11545792      9.30629522     -9.64730725
  H     11.98887235      9.65465577    -16.64630263
  H     11.30519281      9.08163729    -11.24902453
  O     12.13940005      9.47253798    -11.53368731
  H     12.09209433      7.35510122    -15.47344818
  H     12.76148997      9.48909405    -10.78918425
          69
 Energy    -248.90826228388684     
  O     -2.93295738      5.13782044     -1.69445677
  H     -2.66289440      4.22866337     -1.88599688
  H     -2.48697149      1.11657117      2.04527297
  O     -0.44478344      1.32373442      5.89845370
  H     -3.42203768      5.09705788     -0.86542372
  H     -0.86081877      7.56256512     -2.08830835
  O     -0.66511300      3.36395548      0.46063423
  H     -0.55257690      2.13370109      5.37096902
  H     -1.54399007      6.25152453     -1.63866978
  O      2.06357778      3.21392161     -1.73552516
  H     -0.68352586      1.54707742      6.79448301
  H     -1.20873153      2.25838537     -2.45626374
  O      0.36657622     -0.49090998      1.04172450
  H     -1.06037595      3.13533909     -0.39057533
  H     -2.37212482      1.73686947     -1.56462283
  O     -0.67524466      3.47388008      4.22993506
  H      0.19400227      2.92827077      0.50578729
  H     -1.26746242     -0.52751904     -1.50684881
  O      1.70083935      5.65881582     -0.48442599
  H      1.51742924      2.69701746     -2.33667589
  H      0.07333339     -0.70211151     -0.79220767
  O      2.05032555      0.65772320      4.68463754
  H      2.10612736      2.69292693     -0.92015858
  H     -3.03849700      5.54738598      1.18336413
  O     -1.31996298     -0.81669139      4.18678135
  H     -0.51864816     -0.21754339      1.31772688
  H     -4.54718550      5.78807049      1.41538382
  O      2.52089576      5.57379902      2.10647643
  H      0.75497478     -0.96985148      1.78463499
  H     -1.87326819      3.00506230      1.64221612
  O     -1.30579769      6.00038602      1.13886968
  H     -1.41198381      3.28595449      3.63434694
  H     -3.26875649      3.54950079      1.99171012
  O     -2.27875912      0.19577243      1.83547312
  H     -0.45680908      4.41341936      4.13369778
  H      0.46952885      1.22542854     -4.13574135
  O     -0.79815148      6.85046255     -1.45761012
  H      1.85913411      4.84897474     -0.99308037
  H      0.16442320      0.69493213     -2.71521854
  O     -1.93969787      2.53727956     -1.88826623
  H      0.92799342      6.07574499     -0.87662854
  H     -3.80787841     -0.32842138     -0.94759161
  O     -0.32190809     -0.62696258     -1.67107458
  H      1.28087587      0.85170719      5.23536522
  H     -2.78242219      0.08238952      0.13107887
  O     -3.92065704      5.14787176      1.08623064
  H      2.21644927      1.46499803      4.18090069
  H      2.24624876      3.90534086      2.86444907
  O     -2.60761225      2.90853264      2.27352637
  H     -0.47670966     -1.24092467      3.98583861
  H      1.04300213      3.16748379      3.50540209
  O      0.27860741      1.50489255     -3.24421209
  H     -1.11431700     -0.12173192      4.82442902
  H      1.31293149      1.02721287      0.78444698
  O     -2.96942198      0.10925394     -0.82249265
  H      3.34771561      6.04802835      2.13790935
  H      1.90356466      2.23444704      1.56938891
  O      1.94721913      3.04441727      3.18588357
  H      2.21844939      5.61207630      1.18135838
  H      1.67895691     -0.82487479      3.85716803
  O      1.70843404      1.90298820      0.68283042
  H     -0.95769253      5.11809857      0.93292827
  H      1.90518268     -2.34246615      3.64962426
  O      1.33454255     -1.61832723      3.40835098
  H     -1.11887218      6.53223716      0.35565637
  H      0.97642135      5.98375270      3.18867204
  O      0.08372785      6.01281371      3.55453350
  H     -2.06998744     -0.24001785      2.67539976
  H     -0.48470123      6.16347092      2.78636139
          69
 Energy    -248.90820211910665     
  O     12.54733543     11.13258227    -14.31877672
  H     13.22534835     10.99895401    -13.64122332
  H     15.73927922      5.22985300    -15.15135154
  O     13.77831041      5.45562127    -17.56666491
  H     12.94504332     10.84507642    -15.14898898
  H     16.15206375      7.27600200    -10.32067023
  O     13.78443642      5.87375749    -11.97329930
  H     13.61269082      5.11983632    -18.44364364
  H     15.36688580      6.42870779    -11.35657213
  O     12.85408475      3.98184923    -15.25298144
  H     13.28938106      6.29427560    -17.49157231
  H     14.18622107      7.95386598    -14.42960066
  O     10.28172662      9.99881985    -13.34258315
  H     12.91757709      5.70524501    -11.58893178
  H     13.60785947      8.71250224    -13.22311151
  O     12.43995410      7.78997587    -17.25986884
  H     13.65238988      6.57540639    -12.63074465
  H     14.39015981     10.72270934    -17.26086022
  O     15.67231564      8.37948703     -8.99355574
  H     13.67090098      3.86864832    -14.75307629
  H     14.63943099      9.58812992    -16.24215717
  O     19.27023672      8.53050576    -13.84957996
  H     13.10724848      4.42812972    -16.06951448
  H     10.52866541      5.18840159    -10.73544302
  O     10.97581468      7.74561671    -14.88478250
  H      9.56214348     10.62382675    -13.36063742
  H     10.90191193      5.48843016    -12.20776509
  O     17.67903102      4.71251795    -12.27977430
  H     11.05975009     10.45616255    -13.71055320
  H     10.92761061      9.01173616    -11.83864891
  O     18.56795851      6.01231680    -14.66806532
  H     11.78783808      7.75867762    -16.54645134
  H     11.19638711      7.63226433    -11.16920208
  O     16.01792980      5.75112869    -15.91805123
  H     12.89497453      8.63412284    -17.16211449
  H     16.09464473      4.18969390    -13.23657182
  O     16.24956999      6.75983905    -11.13282067
  H     14.85140136      8.84578924     -9.21198477
  H     14.66222370      4.73510060    -13.07633487
  O     13.49854688      7.91274948    -13.75398240
  H     16.13417289      8.93399813     -8.36908173
  H     10.66187169      6.00322643    -14.31206282
  O     13.94961837     10.14653158    -16.64075279
  H     20.07010378      8.82269240    -14.27703751
  H     11.42505185      4.65996941    -14.34365461
  O     11.07490441      5.74560349    -11.28224496
  H     19.09215445      7.63702041    -14.19093811
  H     12.96632153     10.48529738     -9.27357922
  O     11.35630019      8.58040904    -11.08988028
  H     10.52370462      8.48486096    -14.46366507
  H     12.63598094      9.30146934    -10.20755046
  O     15.24282780      4.25267777    -13.68383768
  H     11.86702985      7.74468930    -14.49949143
  H     15.88984627      7.52101302    -15.64694561
  O     10.73668251      5.14786776    -13.86928770
  H     18.17844964      4.22172292    -11.63212786
  H     16.14466751      8.63154833    -14.57670906
  O     13.36744156      9.78012623     -9.77549200
  H     17.25818675      5.45164850    -11.80813496
  H     15.26318259      9.92044136    -12.50256756
  O     15.68563486      8.43487523    -15.40452956
  H     18.36424324      5.51042263    -13.86875486
  H     14.11752006     10.16423510    -11.46690128
  O     14.35752789     10.24527387    -12.39697294
  H     17.81013372      5.89285056    -15.25346268
  H     17.69551910      8.91697328    -13.13438286
  O     16.76606754      8.93400932    -12.86160965
  H     15.34178181      5.61723488    -16.59481254
  H     16.62600851      8.17109311    -12.28526049
          69
 Energy    -248.90819222322256     
  O      1.30006959      2.23047506      3.19617020
  H      1.88596452      1.46641049      3.25604617
  H     -3.92250013     -0.04153229      2.23082981
  O      1.11126796      3.14491896      0.44283343
  H      1.29645225      2.51513872      2.27462685
  H     -2.81372630     -0.32873113      0.05353573
  O     -0.97517291     -1.52331906      4.49261818
  H      1.50891095      3.97554175      0.19358619
  H     -2.81479195     -1.74784432      0.71360994
  O      0.98023394     -3.58299450     -2.41756757
  H      0.15527171      3.23301097      0.27360078
  H     -2.05191305     -3.46903000     -1.20700921
  O     -2.16404206     -1.05059615     -3.47255276
  H     -1.55046055     -0.96784514      5.03372375
  H     -0.95487292     -3.62868959     -2.27889123
  O      0.69929713     -1.02127449     -3.24584546
  H     -0.86702375     -1.03745089      3.66332037
  H     -1.05747254      0.88304373      2.28683468
  O     -2.24302780      2.45474960      2.54493542
  H      0.95706065     -2.66329612     -2.73851189
  H     -1.59028870     -0.41066769      1.64787276
  O     -1.89448092      0.58611426     -1.22475817
  H      1.48805094     -4.08302956     -3.05069324
  H      1.23451288     -2.48820100      0.58519145
  O      0.93628116      0.74814230     -1.07430152
  H     -2.15212096     -1.91261702     -3.01829240
  H      1.05186083     -3.51000972     -0.58370437
  O      1.22532868     -4.59208557      2.83062689
  H     -2.76290319     -1.13369370     -4.20931226
  H      0.79223451     -1.98815607      4.60135755
  O     -1.57809510     -4.00095049      3.29429122
  H     -0.23589492     -0.93730514     -3.46941814
  H      1.65242672     -3.06798679      3.92403761
  O     -4.20651429      0.49580428      2.98889457
  H      0.88329316     -0.33320850     -2.59223172
  H      0.70797312     -0.53948321      1.45438824
  O     -3.14186964     -0.84112386      0.80735901
  H     -3.00729403      1.89122815      2.72258978
  H      2.22211599     -0.60721554      1.75052223
  O     -1.88673045     -3.40887619     -2.15672934
  H     -1.83767394      2.67270441      3.39389755
  H      0.01110815      2.48616900      4.35191222
  O     -0.83135897     -0.03739540      2.11467381
  H     -2.08092627      0.12297147     -2.05131477
  H     -0.54665990      3.29761731      5.54379584
  O      0.94186717     -3.38601134      0.36690906
  H     -0.93128078      0.60542237     -1.13416267
  H     -3.21075175      0.45750414      4.70291706
  O      1.70709469     -2.22906902      4.39595858
  H      1.08063829      1.62608544     -0.70275685
  H     -2.01787228      1.19732944      5.35168132
  O      1.56074088     -0.81965736      1.08220258
  H      1.24734634      0.13399340     -0.39314303
  H      3.88665617     -0.06799272      3.67930371
  O     -0.78085500      2.63502733      4.89926625
  H      1.64230400     -5.44785612      2.76807966
  H      2.55997232     -0.85598126      3.79564892
  O     -2.62463963      0.45543519      5.46940024
  H      1.16495806     -4.24446530      1.92528584
  H     -0.91693719     -3.26564354      0.51020548
  O      2.98949231     -0.09695646      3.35888626
  H     -0.68241390     -4.35545690      3.24530140
  H     -1.96097698     -3.60917887      1.57706992
  O     -1.87003407     -3.28324443      0.66925029
  H     -1.49665016     -3.18771727      3.81151534
  H     -1.88550258      3.00874486      0.87654385
  O     -1.55092499      3.15101784     -0.02197147
  H     -5.15990445      0.45882267      3.00504686
  H     -1.82985197      2.38173042     -0.53305771
          69
 Ord_Energy   -248.908020    
 O   0.443885207       2.97542167      -2.02361774    
 H   0.177198961       2.26964331      -2.62692499    
 H   0.506190360       3.77010775      -2.56786251    
 O   -3.50360632       5.51787901      -5.46486521    
 H   -3.90821242       6.26328421      -5.89976692    
 H   -4.14931440       4.78885269      -5.49936724    
 O   -3.26894116       4.53120852     -0.280188173    
 H   -3.02987242       4.88016987      -1.15004933    
 H   -2.47295427       4.10020685       5.16948290E-02
 O   -5.08822632      0.812395096      0.504593134    
 H   -5.46005726       1.67895329      0.304505795    
 H   -4.14585543      0.893184245      0.299384654    
 O   -2.49666691       1.08210564     -0.497309417    
 H   -2.73969483       1.56353307      -1.30354643    
 H   -1.85938537       1.64367509      -4.26748283E-02
 O   -2.99976158      -1.29369056      -1.80521619    
 H   -3.84669566      -1.55960286      -1.42787087    
 H   -2.71895313     -0.513928652      -1.30383623    
 O   -3.80135036     -0.953619659      -4.49894619    
 H   -3.19873738      -1.53811240      -4.97413778    
 H   -3.49912119     -0.959408581      -3.57964921    
 O   -5.60175514      -1.54678750     -0.702724457    
 H   -5.49152660     -0.711243868     -0.212197989    
 H   -6.05757141      -2.14912963     -0.121810399    
 O  -0.730766892       1.17286050      -3.85379410    
 H   -1.57437015       1.50842094      -3.51491141    
 H  -0.747447014       1.35924029      -4.80030632    
 O  -0.813743293       3.12968469      0.368454784    
 H  -0.319528878       3.09186649     -0.470974207    
 H  -0.170086294       3.25661659       1.05976808    
 O  -0.454645246     -0.752731323      -7.47859144    
 H  -0.886732697      -1.39051819      -6.89126062    
 H   0.382680118      -1.14330459      -7.71917343    
 O   -5.20513010       3.44456053      -5.48108196    
 H   -5.57015419       3.17940474      -4.62522125    
 H   -4.80978012       2.64503932      -5.84957933    
 O  -0.667610824      -1.57609618      -3.34998155    
 H  -0.561468065     -0.625391960      -3.50300288    
 H   -1.37024879      -1.65189052      -2.69101167    
 O   -3.98639154       1.04802167      -6.37968349    
 H   -4.38597918      0.603894889      -7.12508392    
 H   -3.93989277      0.395070940      -5.66251945    
 O   -3.03596258       2.34301734      -2.89321947    
 H   -2.78809738       3.27681041      -2.88482952    
 H   -3.99406052       2.30796909      -3.00706267    
 O   -2.45281696       5.10856056      -2.89584565    
 H   -2.88848138       5.34308958      -3.72582889    
 H   -1.50553179       5.22039366      -3.04649854    
 O   -1.25094616       1.73252571      -6.56199217    
 H   -2.20552492       1.58979630      -6.51556969    
 H  -0.885853946      0.940717101      -6.98088121    
 O   -1.69171488      -2.50623155      -5.64892817    
 H   -1.70287967      -3.45975089      -5.65149689    
 H   -1.24228954      -2.23044729      -4.82736111    
 O   -5.76516962       3.43832016     -0.349366128    
 H   -4.87597704       3.83182478     -0.293339819    
 H   -6.36377001       4.06335402       5.11956885E-02
 O   -6.25912046     -0.299283326      -3.17371273    
 H   -6.15229559     -0.777559459      -2.34156775    
 H   -5.55538225     -0.619637907      -3.75070763    
 O   0.258880079       5.23992205      -3.69208789    
 H   -6.69752881E-02   4.93984127      -4.56068707    
 H   0.857672572       5.96255112      -3.85781813    
 O   -5.81594896       2.40812230      -2.98861909    
 H   -6.08007145       1.47588539      -3.00717306    
 H   -5.91684103       2.74344587      -2.09015894    
 O  -0.888665795       4.46029091      -6.00298643    
 H   -1.78919971       4.80325365      -5.94765377    
 H  -0.958232582       3.53651690      -6.27786160    
          69
 Energy    -248.90761591122055     
  O     13.30386058     11.42105845    -15.90680722
  H     13.91564047     10.81398847    -15.45983801
  H     17.87696081      9.98507546    -12.06487405
  O     15.74278631      7.69598693    -12.99907362
  H     12.46693953     11.33331898    -15.43448757
  H     16.92784539     10.09367108    -17.25884370
  O     14.97292542     11.51233380    -11.21841344
  H     15.51185343      8.39145962    -13.63531145
  H     17.92101932     10.09883676    -16.04641530
  O     15.78596023     12.80266351    -15.56738671
  H     16.12472700      8.14112722    -12.23049830
  H     14.55432674      8.84335983    -15.51007625
  O     13.56601510      7.77425250    -16.65656514
  H     14.17976346     11.16480759    -11.64940192
  H     15.79736165      9.79186510    -15.42779176
  O     11.89636170     10.15589471     -9.40660968
  H     15.47433816     12.03082457    -11.85987207
  H     11.62812944     10.65279919    -13.45919690
  O     13.09421778      7.50938094    -12.22877739
  H     14.87059357     12.56639658    -15.75574547
  H     10.25643755     11.04540050    -14.05254435
  O     17.36486856      6.92217440    -15.16720939
  H     16.33202119     12.10756873    -15.96505450
  H     14.95919318      9.44677701     -8.42043851
  O     12.72935812      7.42493970     -9.51766285
  H     13.42163677      8.45305138    -17.32903304
  H     14.41628265      8.07967380     -8.86716744
  O     19.13318911      9.15493584    -14.99854809
  H     14.30665229      7.22854224    -16.95348552
  H     12.27132244      7.73827201    -15.32640883
  O     15.94909806      6.55340366    -17.43523797
  H     12.06968666      9.20841440     -9.32320900
  H     11.40338228      8.78407118    -14.59294204
  O     18.29093824     10.46085741    -12.79696773
  H     12.62908421     10.59682078     -8.95796809
  H     16.32174023     12.85404984    -13.92387121
  O     17.14804379     10.53456732    -16.42451937
  H     14.02165755      7.42813419    -12.49064125
  H     17.07261368     13.67871954    -12.85612771
  O     15.01338927      9.48547802    -14.94972580
  H     12.55330326      7.49280097    -13.03232910
  H     16.06795371     10.03869912    -11.03472404
  O     11.12773435     10.73805155    -14.28978966
  H     18.03944139      7.61105168    -15.12975240
  H     16.30284392      8.87536212    -10.05932265
  O     15.22800119      8.54236021     -8.62487570
  H     16.84955889      7.01327207    -14.35476933
  H     14.62449679     11.47504501     -9.44906464
  O     11.69997284      7.86819864    -14.55723290
  H     12.82935333      7.38054863    -10.48405458
  H     14.65888087     12.04146955     -8.01146323
  O     16.65417876     12.83518984    -13.00954401
  H     12.32516172      6.60427457     -9.24755114
  H     15.27192489      9.48652902    -18.62642097
  O     16.62229907      9.25943589    -10.88748093
  H     18.87471090      9.60790034    -14.17480057
  H     16.14023765      8.24768104    -18.30738553
  O     14.36223142     11.29803729     -8.52999828
  H     20.08608362      9.15507318    -15.02542322
  H     12.24359061     10.34175256    -11.14644945
  O     16.18303774      9.17088924    -18.58796966
  H     16.48354002      6.65289149    -16.62629346
  H     12.84845740      9.35203642    -12.17216730
  O     12.60991171     10.27987367    -12.04218615
  H     16.17330876      5.70592322    -17.80957243
  H     13.36871383     10.63411498    -17.53250601
  O     13.44233105     10.05597982    -18.31002242
  H     17.79768630     11.28316831    -12.89673641
  H     12.87949490     10.42811022    -18.98426227
          69
 Energy    -248.90741547552113     
  O     13.16097772      4.60917134    -10.64356906
  H     13.95866996      4.31216506    -11.10163807
  H     16.33543071      9.64379116    -11.84698379
  O     15.78396347      9.23125177    -16.11214315
  H     13.46528979      5.21135436     -9.95557782
  H     13.73174696      7.94897311    -11.70751707
  O     18.36334728      8.40815473    -13.84948188
  H     14.95332118      9.37398962    -15.63794420
  H     15.19384353      8.03962720    -12.20977082
  O     11.03377120      8.57753009    -14.63262507
  H     16.38275996      9.91312101    -15.78899477
  H     11.72313604      4.97163303    -11.54184561
  O     18.10137941      3.37936651    -12.74662967
  H     17.77562308      7.85194912    -14.38018088
  H     10.26728989      4.54734675    -11.83596092
  O     11.84364131      5.98581955    -14.61474820
  H     19.10246926      7.84767071    -13.57313414
  H     19.88580423      6.06293156    -12.29689336
  O     16.67698691      6.38954709    -10.26670084
  H     10.30052428      8.68342131    -15.23270871
  H     19.80635327      5.86114475    -13.82419601
  O     13.84970839     11.12189375    -10.50062976
  H     11.32587631      7.65060273    -14.71021208
  H     14.93015176      4.94896326    -13.44972270
  O     18.74659775      4.89212339    -15.10343550
  H     18.56851867      3.88595972    -12.07029170
  H     14.39290904      6.37824987    -13.53321443
  O     15.43316602     11.06927666    -12.79830322
  H     18.31600368      3.80161384    -13.58770360
  H     18.00087130     10.08403367    -14.34620007
  O     13.61122091      9.63660285    -14.35468810
  H     11.48903622      5.63213454    -13.78831384
  H     18.33358022     11.47829402    -14.92387808
  O     16.74947431      8.79319528    -11.65749823
  H     12.77891255      5.74655582    -14.61636773
  H     15.96828221      6.29951620    -15.00190305
  O     14.30118769      7.77419636    -12.46630403
  H     15.90752319      6.42754301     -9.68447715
  H     16.38413683      7.56012074    -15.81490304
  O     10.92260819      5.20841620    -12.04290284
  H     16.76530086      7.26878300    -10.66129239
  H     18.29361641      5.61127137    -10.50982619
  O     20.12560897      6.46540773    -13.14084493
  H     14.41700602     11.22662547    -11.27911919
  H     19.59248237      4.98896526     -9.95576886
  O     14.58696219      5.59779764    -14.07730168
  H     13.58916467     12.00425388    -10.24657600
  H     10.80991953      8.34442687    -12.70508209
  O     17.61489664     10.93885415    -14.60400653
  H     19.02645536      4.53898875    -15.94460689
  H     10.74367509      7.07324850    -11.83846527
  O     16.72390398      6.75179312    -15.40315663
  H     18.03287947      5.52309212    -15.29300630
  H     16.42799139      3.77309468    -12.20640558
  O     19.13691781      5.20453703    -10.76619617
  H     16.19219230     11.20588141    -13.37854586
  H     15.96889231      5.00084787    -11.39149425
  O     10.78745661      8.03775530    -11.79145888
  H     14.73436795     10.70051662    -13.35990418
  H     14.05391904      6.61136056     -7.90967331
  O     15.64216898      4.24182842    -11.89159088
  H     13.85451588      8.94643680    -13.71790501
  H     13.74818779      7.31497761     -9.25235516
  O     14.24333543      6.58280537     -8.84411825
  H     12.68555003      9.46510363    -14.56200883
  H     13.18529839      9.46314452    -10.22176898
  O     12.90233350      8.53960161    -10.16704662
  H     17.38774809      8.63810330    -12.36946672
  H     12.06470786      8.44234799    -10.64655234
          69
 Energy    -248.90725060705881     
  O     19.98349096      8.23159106    -11.20282137
  H     19.14693588      8.46564338    -10.78374090
  H     17.70260806     12.41479313    -14.70487458
  O     17.54991290     11.29507837    -11.80087325
  H     19.83209019      7.38047377    -11.63419662
  H     12.78086307      7.01065237    -16.15007221
  O     12.27337589      7.91931312    -13.19006673
  H     18.14400311     11.25004842    -12.56231694
  H     12.83705980      7.76307233    -14.79816685
  O     16.71911119      6.69137335    -12.25251370
  H     17.59717949     10.45113283    -11.33281598
  H     16.06523525     10.68249339    -12.70481677
  O     14.01521375      6.88066148    -11.29301995
  H     12.83322216      7.45204580    -12.55107633
  H     14.65842900     10.73569422    -13.39915035
  O     19.36972007      5.95620999    -12.83069371
  H     12.03142250      8.75296690    -12.77673773
  H     13.56133094      9.47490941    -16.20894713
  O     13.22443719     11.73326583    -13.97294626
  H     17.58310938      6.29861862    -12.42590158
  H     13.49022700     10.89730358    -15.60554393
  O     17.86540403      9.20451769    -15.81989572
  H     16.40279716      7.04489691    -13.09747435
  H     20.79908761      9.22918581    -12.39176358
  O     17.26883174      8.79976654    -10.52575241
  H     14.90992333      6.63300025    -11.55620387
  H     22.10164922      9.88733440    -12.90604574
  O     16.27372553     11.06923462    -17.21697863
  H     14.10742749      7.71041089    -10.80664298
  H     15.62295207     13.58401394    -14.14999070
  O     20.02500349      7.67542449    -14.82863971
  H     19.58821505      6.50495881    -13.60543060
  H     14.79539846     14.87202069    -13.92925107
  O     16.88649838     12.80181043    -15.04308288
  H     19.81982264      5.12380896    -12.94607146
  H     15.44742688     13.61022178    -11.86124387
  O     13.25019175      7.69323563    -15.67905359
  H     13.64472605     12.58515930    -13.79157132
  H     16.51533878     12.68837107    -11.23914556
  O     15.30410794     10.15492251    -12.97903973
  H     12.71165416     11.46112590    -13.20177736
  H     14.92617221     12.47886207     -9.74981945
  O     13.80706908     10.39433718    -16.36752227
  H     17.41277765      9.80327313    -16.42641716
  H     14.64910647     12.30882441     -8.24379124
  O     21.19907394      9.69723053    -13.14665310
  H     17.16783731      8.69026187    -15.38709813
  H     18.61250584     10.44597055    -14.70237209
  O     14.88047498     13.96530050    -13.64610090
  H     16.42362351      9.00797172    -10.11911395
  H     19.85023020     10.76699692    -13.83022468
  O     15.79218268     13.29380454    -11.01925050
  H     17.08723322      8.06499936    -11.13325223
  H     11.31656856     10.68937913    -11.12704458
  O     14.49381794     11.90484091     -9.09290302
  H     15.37331686     10.81234768    -16.94621402
  H     12.75461319     10.14534481    -11.18066546
  O     19.00469979     11.12265195    -14.13125365
  H     16.22488304     11.31476708    -18.13688653
  H     14.74911218      9.74149286    -11.30527503
  O     12.01634137     10.44752612    -11.73003972
  H     19.32951654      8.13960699    -15.31271778
  H     14.44307703     10.35903579     -9.88680190
  O     14.39086664      9.55188328    -10.42310496
  H     20.54165601      8.35843286    -14.38360528
  H     15.58963278      8.73221921    -13.96989007
  O     15.78815464      7.95178350    -14.51319009
  H     16.65963698     12.28564077    -15.82683504
  H     14.97763923      7.73490734    -14.98805277
          69
 Ord_Energy   -248.907059    
 O    4.74564838      -3.68039322       7.38872910    
 H    3.85400939      -3.31099081       7.33630323    
 H    4.91812325      -3.84913731       8.32654858    
 O    1.95357668      -1.02792978       9.31255627    
 H    2.31761384      -1.45530653       10.0967932    
 H    1.99245071      -1.66589034       8.58392048    
 O    1.80090547       2.88128114       7.94205379    
 H    1.13180935       2.18290615       8.07129765    
 H    1.43206000       3.68776751       8.29149628    
 O    5.22305965     -0.125384971       11.0140142    
 H    5.99406719     -0.545358181       10.6111917    
 H    4.82887793      0.443150789       10.3400908    
 O    1.40692174      -4.24691534       4.97260618    
 H    2.36024594      -4.40249014       4.83967686    
 H   0.979746759      -5.09752274       4.92257118    
 O    5.27006245      -3.70009899       10.0863142    
 H    6.02264500      -3.09707546       10.1216755    
 H    4.57235193      -3.27384806       10.5986547    
 O    5.43438005      -2.87836123       2.87448525    
 H    4.70593309      -2.23555064       2.80119658    
 H    5.62097454      -3.18628359       1.99108195    
 O   0.904018342      -1.80791080       3.59997702    
 H   0.459722131      -1.21923006       4.22086668    
 H   0.974720299      -2.66782117       4.03403616    
 O    2.02101874       1.80129516       5.32573032    
 H    2.50686836      0.980885446       5.50625753    
 H    2.01562095       2.30675435       6.14726162    
 O    7.14005852      -1.28864765       4.48333740    
 H    6.62233496      -1.85510886       3.89686346    
 H    6.90557575     -0.379531801       4.26665974    
 O  -0.253186077      0.211597562       5.32404232    
 H   0.476422220      0.845773637       5.22718287    
 H   -1.02066529      0.620443165       4.92810440    
 O    6.28434324       1.50262117       4.37898254    
 H    6.95865154       2.17840028       4.37821007    
 H    6.06640434       1.32934821       5.31081247    
 O    3.75187826       1.64779282       3.04175925    
 H    3.12831426       1.90806270       3.73136926    
 H    4.62999201       1.68508565       3.44335008    
 O    2.19077492      -2.56117964       7.07502317    
 H    1.77138078      -3.17211294       6.45870352    
 H    2.56479359      -1.83889818       6.54406071    
 O    3.43567467      -1.07083404       2.89566922    
 H    2.50377226      -1.31309342       3.00962281    
 H    3.50193715     -0.112892777       2.77132654    
 O    3.40781212     -0.578761160       5.66243315    
 H    4.23431301     -0.228370711       6.01553392    
 H    3.53149104     -0.793864489       4.72850609    
 O    4.09097052      -4.53438616       4.77999592    
 H    4.61636496      -4.03342485       4.14543009    
 H    4.46812391      -4.36376810       5.65345430    
 O    6.76744652      -1.81210935       7.13543510    
 H    6.06817293      -2.48156190       7.16596603    
 H    7.02753353      -1.70260072       6.20863342    
 O    7.30679655      -1.65737641       9.81118202    
 H    7.21972656      -1.70269537       8.84406185    
 H    8.23802280      -1.73105490       10.0048685    
 O    3.38186884      -2.05717111       11.5103006    
 H    4.04269791      -1.34463358       11.4341583    
 H    3.16317582      -2.13390040       12.4352512    
 O    3.75426698       1.07913291       8.90307331    
 H    3.15706873      0.324666351       9.01637077    
 H    3.19608307       1.82535422       8.65463638    
 O    5.58835888      0.671530485       6.88989878    
 H    6.05119610     -0.157253757       7.07975626    
 H    5.00657415      0.870580196       7.63608456    
 O   0.128409058      0.766960740       8.15907478    
 H   0.631316423       8.69316608E-02   8.62878036    
 H   -8.83769095E-02  0.408563823       7.29089165    
          69
 Energy    -248.90695747538814     
  O     16.09782865     12.03712457    -10.77870763
  H     15.90165729     11.85218704    -11.70772684
  H     17.00766725      5.97881820    -12.74881728
  O     13.22954212     12.46393800    -13.04475120
  H     16.97767800     11.66921581    -10.63219918
  H     15.71049164      9.31584579     -8.25992981
  O     12.94074522      8.67904070     -9.72438810
  H     14.10070128     12.20555415    -13.36480328
  H     15.56030357      7.77387380     -8.14875729
  O     14.15796816      6.53996414     -8.33421429
  H     13.37789839     13.01798507    -12.26414224
  H     19.30609949      7.81428898    -12.81367642
  O     11.01040042     10.74037362     -9.91882673
  H     13.22757796      7.90503221     -9.22652648
  H     18.30192334      7.73409228    -13.98774965
  O     11.11662362     10.83313890    -12.78089629
  H     13.54907758      9.39459385     -9.48970335
  H     18.97744194      9.26777677     -9.54012474
  O     13.86158984     13.79222053    -10.68344464
  H     14.35431689      6.00731224     -9.12753096
  H     18.14713991      8.38070483     -8.59911744
  O     18.66707579     10.93320444    -13.67872687
  H     13.82154721      5.93970528     -7.67486220
  H     11.88277849     11.94001093     -8.99012530
  O     16.68154848      6.82943636    -14.39593890
  H     11.50600275      9.92410397     -9.77059034
  H     11.98463009     12.91291812     -7.79074318
  O     15.84077911     11.38334275    -13.50934519
  H     10.95077943     10.83768355    -10.87711047
  H     11.90490903      9.17036341    -12.64117740
  O     16.42183575      8.39765227    -11.04021392
  H     10.42272417     11.15276396    -13.35074550
  H     12.63022087      8.45102090    -11.47352990
  O     17.13449876      5.78399370    -11.81054869
  H     11.87610036     11.43327570    -12.90122142
  H     20.49810789      6.43058205    -11.00463361
  O     16.20579620      8.48389918     -8.26500779
  H     13.36432839     13.47649432     -9.91968345
  H     19.43724244      7.36328257    -10.38162009
  O     19.03614985      8.24914903    -13.63116686
  H     14.73075636     13.37491915    -10.61850019
  H     12.04666274      5.19604221    -12.92337755
  O     19.00151670      8.43658922     -9.04464324
  H     18.82959655      9.97413907    -13.73364096
  H     12.61239475      6.59313064    -12.63306198
  O     12.49263904     12.51186383     -8.49045722
  H     19.34926110     11.35808785    -14.19201168
  H     14.03900834      5.28419768    -11.30948012
  O     12.43021845      8.39129739    -12.42074694
  H     16.02879645      7.49649652    -14.12253127
  H     15.55226808      5.25358536    -10.98251324
  O     19.64720031      6.82957785    -11.16772572
  H     16.33244287      6.40609611    -15.17589816
  H     17.72871544      9.71838516    -11.02225227
  O     12.84000731      5.65064656    -12.64946816
  H     16.78993370     11.33703406    -13.67565846
  H     18.63021957     10.70677842    -11.78862336
  O     14.67449000      5.18835576    -10.58674635
  H     15.51433474     10.47319850    -13.55966022
  H     15.48002276      8.69147789    -12.47857251
  O     18.37244561     10.43456215    -10.90003971
  H     16.66473559      7.48674282    -11.25051417
  H     14.08119916      8.62724650    -13.14212272
  O     15.02074874      8.73889974    -13.33339076
  H     16.27814989      8.43005756    -10.08603377
  H     15.13482582     11.16213651     -9.53394576
  O     14.63006394     10.71801029     -8.83734682
  H     18.05696417      5.97514107    -11.59401511
  H     13.95226875     11.34300092     -8.55166799
          69
 Energy    -248.90671655789419     
  O     18.79884345      8.35337080    -11.14311515
  H     18.80684805      7.69067067    -10.43973915
  H     15.38864402     11.01930162    -13.58374718
  O     12.13125536      7.99584425    -12.27841687
  H     18.75515690      7.86852300    -11.97902162
  H     13.30887246     10.32364037    -14.13992253
  O     19.68702535     10.89594115    -10.49108493
  H     12.27045994      8.19829883    -13.21313307
  H     13.27513500     10.96322229    -12.73717332
  O     12.84994773      8.67950314    -14.94682459
  H     12.18597950      8.83932254    -11.81177747
  H     16.44146816      2.78033315    -10.97956600
  O     18.41607729      6.88315312    -13.46115833
  H     19.05833351     11.48126772    -10.92979296
  H     16.34835247      4.26788739    -10.58439438
  O     18.57412792      6.27834397     -9.32227443
  H     19.47990967      9.99970908    -10.79505709
  H     15.08761427      7.64349729    -11.63819571
  O     17.89211417      8.17969984     -7.37063564
  H     12.32837991      8.55878036    -15.73611420
  H     13.62513609      7.14291896    -11.84743224
  O     15.79416294      5.69794694     -9.53698829
  H     13.68586640      8.20293327    -15.09190026
  H     19.20482603      5.44105346    -12.29998385
  O     15.22020111      7.39265977    -15.32364272
  H     18.27150108      7.59778262    -14.09321199
  H     18.49024847      4.30539399    -11.54239496
  O     17.54435450     12.47877838    -11.55881398
  H     17.59838731      6.36485067    -13.45973229
  H     17.36609907     11.43243678     -8.47584967
  O     17.56321456      9.04775941    -15.10611648
  H     19.00508849      5.72173433     -9.98732744
  H     16.85311365     12.02887114     -9.80219463
  O     16.30705844     10.79047082    -13.37713033
  H     17.63029351      6.07515187     -9.38007621
  H     17.06680764      8.81737850    -11.14210290
  O     13.61815858     11.08475417    -13.63124461
  H     18.32927136      7.52972599     -7.93659195
  H     15.71174446      9.34581703    -10.53358428
  O     16.68355250      3.65931120    -11.26196445
  H     18.32429343      9.02909341     -7.52049935
  H     19.35779922     10.79157526     -8.78747389
  O     14.53019885      6.85176733    -11.67412192
  H     15.54504056      6.22661270     -8.76997854
  H     19.66849225     11.16430332     -7.31830808
  O     19.30150772      4.82934253    -11.56067747
  H     15.28813474      6.06659531    -10.27826883
  H     15.25207385     10.56339224     -8.96345478
  O     16.56597685     11.71338614     -8.93680500
  H     16.01181424      7.94309234    -15.34541555
  H     14.75463905      9.12665141     -8.55378996
  O     16.14289157      9.02512520    -11.33576441
  H     15.46237467      6.59497795    -14.83758993
  H     15.41674732      5.92779871    -12.87696404
  O     19.02788172     10.72746765     -7.87332124
  H     17.56014816     13.38025626    -11.87193515
  H     16.24173168      4.63728790    -12.91127601
  O     14.61443621      9.85855974     -9.16578068
  H     17.11952717     11.95276990    -12.25476203
  H     14.91467765      7.47975212     -6.63737478
  O     16.02331359      5.41454729    -13.43581634
  H     18.00788839      9.50651261    -15.81481676
  H     16.20917516      7.87065008     -7.39234093
  O     15.26679870      7.64594216     -7.50804913
  H     17.16120147      9.72819224    -14.54100805
  H     13.30352824     10.27618442    -10.31176152
  O     12.63256836     10.49885036    -10.97753715
  H     16.25394816     10.12935280    -12.66764992
  H     11.99043650     11.05109892    -10.53720059
          69
 Energy    -248.90660242320882     
  O     18.38714057      8.36815114    -11.66265216
  H     18.31221254      8.03032613    -12.56472594
  H     12.55260927      6.60752210    -15.44860859
  O     13.28405031      7.99747510    -12.62694169
  H     18.38173705      7.60919756    -11.06890322
  H     15.56133322      5.83675431    -12.42554929
  O     12.95949989      7.45360345    -17.06216097
  H     13.81635196      7.27447733    -12.25630436
  H     14.65915435      5.10805584    -11.42518108
  O     16.77441556     10.54198659    -11.59621183
  H     12.84693350      8.43410700    -11.88635914
  H     16.58112233      3.64386990    -10.98203597
  O     15.60321307      7.02225206     -9.27245047
  H     13.63820598      8.12389891    -16.86305319
  H     17.73744032      4.63583418    -10.70108370
  O     18.16449004      6.22430862     -9.73644834
  H     12.37925393      7.83522439    -17.71529179
  H     11.51653882      9.53616918     -9.93464944
  O     11.64986829      4.22452823    -12.70922196
  H     17.39361230      9.79007423    -11.55417108
  H     12.38798254      8.27081394     -9.74494317
  O     15.17566861      5.65285137    -17.37412199
  H     17.30236608     11.33527568    -11.56021855
  H     12.50845064      5.90818512     -9.28592437
  O     15.00599023      9.14314765    -16.50280356
  H     15.47748021      7.98440095     -9.27430765
  H     13.72978170      6.74972466     -8.84095004
  O     17.23892548      7.40447415    -17.05996648
  H     15.37085975      6.70704332    -10.15901895
  H     14.64841151      8.91936121    -13.36929927
  O     17.60298238      7.64236621    -14.28362302
  H     17.28160176      6.50844517     -9.44270002
  H     15.83219757      9.87631818    -13.05093534
  O     12.53714356      6.18725476    -14.57971276
  H     18.72274037      6.21782979     -8.96254479
  H     14.11133619      9.67143583     -9.81698026
  O     14.88845607      5.98821433    -11.75005877
  H     11.80517949      4.91504223    -13.36566472
  H     15.55383658     10.06749595    -10.23831230
  O     17.45292446      3.92291592    -11.28734664
  H     12.20063695      3.47772008    -12.97547278
  H     11.32148852      3.76499966     -9.61190793
  O     12.29817611      9.09588235    -10.25657747
  H     15.01917903      5.01825632    -16.66344186
  H     11.82696068      4.30495689    -10.96990672
  O     12.77013799      6.77158750     -8.94383970
  H     14.37671633      6.19306964    -17.41450839
  H     17.15945836      4.66515288    -12.89688446
  O     15.43414461      9.33896944    -13.74675408
  H     15.81608356      8.69469889    -16.77356592
  H     17.19123407      5.93678646    -13.84901356
  O     15.03041222      9.68174757     -9.52480303
  H     15.12177263      9.35261905    -15.56579462
  H     13.76821492      3.52048765    -10.40369289
  O     12.03905048      4.24233916    -10.02122736
  H     17.81576870      7.36607601    -17.81814654
  H     14.33793881      2.88608437    -11.69311070
  O     16.73437751      5.11096510    -13.64470318
  H     16.55948885      6.71908044    -17.19078111
  H     14.01863550      2.90399730    -14.00552056
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  H     16.83835595      8.20533913    -14.09074597
  H     13.67735205      1.41790200    -13.74652280
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  H     17.63834427      7.56478226    -15.24551553
  H     15.36263465      4.53709150    -14.55044338
  O     14.54224049      4.26041229    -14.99023089
  H     12.72151628      6.88343971    -13.93273732
  H     13.87365042      4.94064000    -14.82316324
          69
 Energy    -248.90658360393428     
  O     -5.77287200      3.50711747     -2.01841918
  H     -5.67885457      3.18221472     -1.10632357
  H     -6.47755878     -0.50084152      0.12535422
  O     -1.30595998      2.69460742     -4.03698720
  H     -6.51072934      4.11184368     -2.01903649
  H     -1.18402121      1.10202371      2.20505731
  O     -5.24605359      2.39446240      0.42171275
  H     -1.91307386      3.26916467     -3.53480877
  H     -0.12065186      2.16664300      2.50115956
  O     -3.51236348     -0.89675573      1.01191305
  H     -1.19042016      3.10296185     -4.89111274
  H     -0.88621785      2.71170664      0.73277087
  O     -0.08312285     -0.77358968     -1.02023525
  H     -4.44870569      2.03461106      0.00125927
  H     -1.27222607      3.90132389     -0.19521758
  O     -2.99490013      0.53559869     -3.41348902
  H     -5.75118527      1.62156064      0.71196101
  H      2.11764988     -1.03972529      1.82770573
  O     -4.06392363     -2.38545886     -1.27194382
  H     -2.66654020     -1.01025281      1.46164445
  H      2.27509030     -1.50121120      3.29770691
  O     -1.91030876     -1.97886847     -2.81095692
  H     -3.37180707     -0.15217316      0.40657099
  H      2.06087257      1.98427258      1.41508003
  O      0.54026117      1.78395060     -2.07143868
  H     -0.67412759     -1.25123308     -1.61417485
  H      1.79393184      1.01321136      2.57387931
  O     -0.84818859     -0.69855667      1.70746762
  H      0.10029124      0.08032450     -1.43380121
  H     -5.83241262      1.79052724     -2.85143103
  O      2.49003021     -1.01203725      0.11191356
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  H     -4.82633930      0.74596953     -3.37987631
  O     -6.24008780     -0.10317054      0.97234833
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  H     -2.67574371      3.21070687      2.24750474
  O     -1.07396588      2.04849216      2.36655106
  H     -4.96052277     -2.08976527     -1.47027047
  H     -4.08023119      3.33433517      1.58588472
  O     -0.87004099      3.02516532     -0.18290754
  H     -3.85975952     -2.02321326     -0.39835065
  H     -7.42252289     -1.55519758     -2.03551996
  O      1.78438260     -0.90994454      2.73383705
  H     -2.69611206     -2.18434069     -2.26969046
  H     -6.35906601     -0.44843603     -2.22125135
  O      1.68456505      1.93348107      2.30084990
  H     -1.72705480     -2.75251312     -3.33678331
  H     -2.29233345      1.87418283     -0.58516150
  O     -5.76027307      0.88356230     -3.17018560
  H      0.09060816      2.26870022     -1.35675260
  H     -3.05411366      1.01027285     -1.63372784
  O     -3.33060888      3.84184463      1.92460932
  H      0.07600495      2.04075108     -2.87494142
  H     -2.78590074      4.89631579      0.65736111
  O     -6.61789843     -1.20358489     -1.66391802
  H     -0.02621118     -0.85967729      2.18518301
  H     -2.21253679      6.25482557      0.18765309
  O     -3.02103105      1.25341509     -0.70054988
  H     -0.62415673     -0.71621755      0.76556725
  H     -3.99752410      3.96609189     -2.52114854
  O     -2.38939685      5.36386161     -0.10110917
  H      2.76975637     -0.10932087     -0.08704139
  H     -2.84490554      4.69718158     -1.81858634
  O     -3.06906128      4.20993425     -2.62077401
  H      1.64446123     -1.11882787     -0.34523574
  H      3.49323678      2.32301060     -0.76220630
  O      2.78400021      1.77508536     -0.43404786
  H     -5.37395497     -0.47218534      1.19292669
  H      2.07673326      1.81251360     -1.09768098
          69
 Energy    -248.90655195167429     
  O     -3.40702147      2.93669042     -3.88065558
  H     -4.21940495      3.19767248     -4.30544645
  H     -0.55849166      2.83776669     -2.76256989
  O      0.15544370      4.31027144      1.38042079
  H     -3.49082863      3.18029330     -2.93905717
  H      0.80729457     -0.69383345     -4.67742968
  O      0.70203627      2.44648229     -5.62387151
  H      0.02925420      3.35517775      1.46980452
  H      2.07913484     -0.09115883     -4.07254971
  O      0.35057243     -1.26560343     -1.42743810
  H      0.61768760      4.60508431      2.17440710
  H     -1.73233114      3.82881073     -4.15224632
  O      3.76000558      4.17610711      1.64362663
  H      1.56163481      2.21398300     -5.25113685
  H     -0.28615592      3.58179646     -4.70657315
  O      3.77767134      1.33460974      2.22710833
  H      0.29080934      1.60813723     -5.86780320
  H      0.01151631      5.36186805     -3.13998395
  O      2.02454446      0.35496255      0.24927387
  H      0.77102345     -1.16790662     -2.29496506
  H      0.51892324      6.81191091     -2.98659027
  O      2.24500066      2.21113960     -1.79515666
  H      0.93853707     -0.85221271     -0.78577791
  H     -1.07521194      5.08501744      0.21417167
  O     -3.49159045      3.55015936     -1.28211216
  H      3.35729950      4.37707883      0.78891466
  H     -0.95131249      5.71802968     -1.18188834
  O     -0.51472610     -0.11701077     -5.93912233
  H      3.85805122      3.21733539      1.69454427
  H      0.92054280      1.77750255      3.22089031
  O     -2.32476251     -1.15772305     -1.51666211
  H      4.48515761      0.91884669      2.71315453
  H      1.67403374      2.94579748      3.89375217
  O     -0.42327511      2.01799287     -2.27004477
  H      3.06641546      1.51619716      2.86789676
  H      1.39626985      4.54160599      0.08310025
  O      1.42193920     -0.78401151     -3.93971938
  H      2.70288623      0.54197714      0.91001757
  H      1.64869327      5.20395340     -1.28871659
  O     -0.81315562      4.11369407     -4.08717339
  H      2.19603324      0.96143019     -0.48574352
  H      2.88571609      1.81741588     -3.38306970
  O      0.44984614      5.97771591     -2.52851827
  H      1.30106543      2.06294251     -1.96813573
  H      4.01326463      1.62222126     -4.42410867
  O     -1.59362891      5.40691657     -0.53574485
  H      2.31052690      3.08420642     -1.38613738
  H     -2.38701834     -0.15797242     -3.08719363
  O      1.66104752      1.98434572      3.80823835
  H     -2.90401681      4.27302818     -1.01402132
  H     -2.69731438      1.20144991     -3.82523778
  O      2.07216726      4.67899729     -0.59859488
  H     -3.22574174      2.78474476     -0.75831195
  H     -2.36235021      0.43132145     -0.49431924
  O      3.07164918      1.54183823     -4.29728511
  H     -0.93786928     -0.62113334     -6.62880113
  H     -1.51402530      1.67020696     -0.83143130
  O     -2.17140994      0.39079025     -3.85249569
  H     -1.17710114      0.01580710     -5.23818559
  H     -0.92333018      1.40891655      1.16873311
  O     -2.15031910      1.32091704     -0.18709582
  H     -2.69931596     -2.00267541     -1.28538755
  H      0.59492498      1.09610259      1.15109491
  O     -0.09783362      1.55205753      1.64939434
  H     -1.35415233     -1.25093949     -1.45401992
  H      2.15673979      5.55907523      4.08271508
  O      1.90209525      4.82553936      3.53023017
  H     -0.77846096      1.31486715     -2.82671512
  H      2.63622362      4.66939252      2.90869213
          69
 Energy    -248.90640988983245     
  O     11.62174475     11.10841761    -15.09738590
  H     12.08664630     11.90540345    -14.81915575
  H     18.38243776      7.98420034    -11.68021653
  O     15.86840428      7.26781336    -13.43206083
  H     12.21697733     10.65371507    -15.71075791
  H     16.11073750     12.51743921    -15.60575971
  O     16.38968255     11.46718728    -10.80843973
  H     16.33846277      7.39580405    -12.60029246
  H     15.23588625     12.45791632    -16.86337203
  O     17.31313626     11.27694268    -14.89130647
  H     14.98897944      6.95307876    -13.17791775
  H     15.35408877      8.89197379    -14.04598887
  O     13.44642568      6.98545433    -16.91969721
  H     17.14445350     11.44475137    -11.40766342
  H     14.54740765      9.73171009    -15.09845376
  O     13.71601094      8.19861632     -9.14928755
  H     15.59084431     11.54293011    -11.34818919
  H     10.92478732      9.91236546    -14.08520517
  O     13.42138722      6.62380831    -12.32409075
  H     16.53923302     10.73819728    -14.66065955
  H      9.64313842      9.28291255    -13.48786573
  O     14.07998367     11.39916617    -12.37355707
  H     17.86375804     11.31271319    -14.10227858
  H     16.72964779      8.14029097    -10.18139764
  O     17.22844315      9.67848398    -17.22651521
  H     13.08521942      6.37893735    -17.56044108
  H     16.29252873      6.70413337    -10.51549615
  O     14.69329341      5.80528853     -9.93877318
  H     12.89073382      6.91366046    -16.12223607
  H     12.42725681      6.63552310    -13.87817085
  O     16.24450587      7.24128799    -16.24794764
  H     13.21373987      8.60517704     -9.86827550
  H     11.41217448      7.67033883    -14.38047968
  O     19.01109383      8.41557595    -12.27853511
  H     14.50777015      8.73907844     -9.03014633
  H     19.54447254     11.54772074    -12.22425454
  O     15.33225900     12.91448992    -16.01990777
  H     13.16532071      7.51522741    -12.04196139
  H     18.85400409     10.17429417    -12.38322680
  O     15.07947901      9.78319958    -14.29413199
  H     13.77108075      6.17582049    -11.54510672
  H     16.28345113     10.24865002     -9.63206515
  O     10.59051524      9.18478155    -13.52904555
  H     14.43971278     10.79478858    -13.04431319
  H     16.66346307      9.76280064     -8.21224280
  O     16.91123933      7.39768770    -10.77438448
  H     13.74239453     12.15514527    -12.86709783
  H     15.38235685     11.31679195    -19.22454220
  O     11.95298098      6.92572248    -14.66891683
  H     17.45724806     10.20115048    -16.44714477
  H     16.00365222     10.60991483    -17.99388728
  O     18.71369285     11.13438936    -12.44666050
  H     16.95114278      8.80641085    -16.90986536
  H     13.07495312      9.99293112    -11.74247045
  O     16.24151824      9.48961020     -9.02215684
  H     14.53607177      5.10584755     -9.31079380
  H     11.80911246      9.19170714    -12.12243389
  O     15.24578912     11.14445401    -18.29766900
  H     14.30096363      6.61693881     -9.56525645
  H     14.00301864     13.19601835    -14.92024772
  O     12.57816300      9.18888637    -11.53777304
  H     15.33856066      7.07249244    -16.53376764
  H     13.05698752     14.23549050    -14.27916313
  O     13.26730116     13.30573030    -14.29125285
  H     16.23608366      7.12047812    -15.29030638
  H     14.03827714     10.21575250    -17.28731110
  O     13.50646737      9.75915399    -16.62244442
  H     19.12974189      7.81622576    -13.01342552
  H     13.46626903      8.82344008    -16.85700539
          69
 Energy    -248.90636431868234     
  O     12.10344736     10.12587172    -16.15643717
  H     11.73130791      9.78809722    -15.33183465
  H     20.55123642      7.07373603    -13.39139749
  O     17.31790015     10.67616708    -11.95872417
  H     12.63813387     10.89866426    -15.93527556
  H     15.91243774     10.87479263    -17.93561790
  O     18.72289547     11.07430849    -16.50332734
  H     16.52927098     10.77495871    -12.51007645
  H     16.94095747     11.50059758    -16.97453699
  O     13.52926987      5.69456809    -16.44291421
  H     17.06483955     10.91999341    -11.05702058
  H     15.89558804      7.68285963    -14.87241192
  O     14.54054334      9.02251421     -9.57320826
  H     18.87834578     10.82787991    -15.57230483
  H     16.67026548      8.63966469    -15.81498362
  O     14.22935940      6.47775133    -12.33603445
  H     19.45711873     11.62263439    -16.76581935
  H     11.36533863      7.92333770    -13.94242183
  O     15.11378697     10.66876727    -13.64506002
  H     13.31928552      5.14095271    -17.19056962
  H     10.19145363      8.84052499    -13.52703478
  O     17.87830695      8.50649054    -17.23399173
  H     13.60125458      6.60535033    -16.77470993
  H     12.42757935      6.02311027    -14.90713343
  O     15.89109567      6.53331426    -10.10589359
  H     14.96217502      8.15645796     -9.62310459
  H     12.70874405      6.20149193    -13.40375901
  O     18.36833425      6.26560684    -15.54111007
  H     14.02678566      9.11078378    -10.38705256
  H     18.59208099     10.50084113    -13.25461640
  O     15.70660333      5.88835424    -14.60969553
  H     14.74126560      6.31931170    -11.53326056
  H     19.42023046      9.33975434    -13.85069714
  O     19.70853882      7.49756916    -13.53007342
  H     13.97166002      7.41096061    -12.30101249
  H     18.35293027      7.67144202    -12.22671606
  O     16.03248125     11.58168103    -17.29165604
  H     15.44042665      9.94270303    -14.20000437
  H     17.50904952      8.84354295    -11.68778118
  O     15.91468612      8.58554237    -15.21721697
  H     14.70912068     11.31123694    -14.23841191
  H     15.67937414     10.37731084     -9.41499519
  O     11.10361068      8.85189244    -13.80584000
  H     17.23760526      8.66151377    -17.93939825
  H     16.24873419     11.55317086     -8.60332661
  O     12.02543257      6.31050964    -14.07962202
  H     18.30728741      9.35567332    -17.05940158
  H     15.43808995      9.16177549    -19.84491694
  O     19.15628179     10.25521072    -14.00083708
  H     16.35868392      5.97859897     -9.48867250
  H     14.99136320      8.87779322    -18.39058111
  O     17.63530633      7.88801823    -11.62192179
  H     16.56578413      7.00135827    -10.63460821
  H     13.97695304      9.72518478    -12.62651163
  O     16.33560108     11.09468174     -9.43395793
  H     18.24369463      6.92237693    -16.23883074
  H     12.54230026      9.13389755    -12.62863449
  O     15.71797870      9.22504512    -18.93553474
  H     17.48898542      5.99828427    -15.24209026
  H     14.69999780     12.04828656    -16.27316583
  O     13.37965020      9.13038211    -12.15083682
  H     15.01675644      5.66885405    -15.24822394
  H     13.81579461     13.18868670    -15.71542020
  O     13.96888133     12.24904933    -15.66119460
  H     15.26650663      6.00861800    -13.75545747
  H     13.17721576      8.94196907    -16.86389012
  O     13.90081954      8.33826318    -17.09047960
  H     19.26731493      7.01457324    -14.25023781
  H     14.57679326      8.45211413    -16.40491612
          69
 Energy    -248.90629095887391     
  O     12.03865376     10.89521702    -14.03766747
  H     12.50012267     11.73104086    -14.16951964
  H     14.73668545     11.72841058    -17.32434027
  O     16.31837037      6.92533573    -13.39015830
  H     12.30728728     10.32052732    -14.76787214
  H     14.49632992      9.29281063    -14.66066704
  O     17.72133927     10.95367872    -11.64246705
  H     17.12668562      7.33776909    -13.05482593
  H     15.57480215      8.53462944    -13.82727421
  O     17.08559180     10.68889487    -15.75637705
  H     15.85622233      6.55120325    -12.63010529
  H     11.02038579      9.67304446    -11.33512726
  O     12.65088488      6.46906617    -15.19100264
  H     17.49193527     10.77958174    -10.72170275
  H     11.93906813     10.07205160    -12.51092154
  O     15.28101547     11.74362731    -12.68841844
  H     16.92389589     11.33574766    -12.03826810
  H     17.64423139      7.69585300    -10.65816390
  O     16.60702393      7.05761102    -17.95913155
  H     16.49208669     10.22190095    -15.14772708
  H     16.84330079      8.42622206     -9.56453002
  O     15.00862582      6.09420909    -11.02909241
  H     17.82674610     11.02430680    -15.23036217
  H     13.51157198      6.73955717    -11.96620293
  O     18.62247724      8.38842552    -16.42620363
  H     12.69670332      6.64601551    -14.23305793
  H     12.51699580      7.89777086    -12.22477843
  O     15.37776850      5.98394675    -15.83013112
  H     11.88955411      5.91300799    -15.33170515
  H     19.70761975     10.46541437    -14.12575494
  O     20.31470026      8.61492694    -14.32472648
  H     15.20857564     10.88714459    -13.14040761
  H     18.81278093     11.29199546    -13.17795460
  O     15.03985616     12.37330943    -16.68076583
  H     14.78077102     12.37429761    -13.21704960
  H     19.17006293      8.32542954    -12.90290527
  O     15.28006933      9.40906964    -14.10893308
  H     16.16021160      6.61912642    -17.21124272
  H     18.18075080      9.21782988    -12.10716706
  O     11.90492035      9.56922943    -11.67723691
  H     16.70807080      6.40252431    -18.64385139
  H     15.64818343     10.35940558     -9.51059299
  O     17.00894359      7.55402210     -9.94408956
  H     15.02283330      5.22841324    -10.62898576
  H     16.55607064     10.64228373     -8.28937577
  O     12.82195531      7.04779085    -12.56579446
  H     15.67436915      6.62667084    -10.55834233
  H     15.93098853      9.96184752    -17.14630909
  O     19.16515495     11.26205045    -14.07704450
  H     18.04863361      7.84564097    -16.97774325
  H     15.65514895      8.67995909    -17.93344219
  O     18.44154996      8.30026381    -12.27038741
  H     18.13887032      9.21234773    -16.28491246
  H     14.51128454     11.17280127    -11.12445406
  O     16.54253299     10.22497504     -9.14630016
  H     14.42928869      6.05144499    -15.67063234
  H     13.38759775     10.23264806    -10.67724696
  O     15.25890714      9.52576684    -17.68506760
  H     15.80323219      6.23943062    -14.99954487
  H     14.12109123     12.96683318    -15.30569681
  O     14.17618084     10.68498234    -10.35875546
  H     21.20170537      8.34605667    -14.54686994
  H     13.43028469     14.13291217    -14.56249275
  O     13.66917367     13.21345830    -14.48011058
  H     19.76239483      8.44014569    -15.10818696
  H     12.92468842      8.20205776    -15.78859686
  O     13.14636342      9.13554519    -15.90177615
  H     15.86805157     12.00767338    -16.33797666
  H     13.79053548      9.21220804    -16.61935816
          69
 Energy    -248.90591990335619     
  O     15.53680649     11.70856049    -15.64550513
  H     16.36348596     11.84212866    -15.16686140
  H     15.39928484      4.83992669    -16.58083195
  O     12.90114974      6.19097745    -15.26462745
  H     15.79762359     11.44388507    -16.53615935
  H     18.33849162      7.99207222    -17.61758213
  O     18.61561213      7.75532648    -12.63471475
  H     13.33315127      6.13714404    -14.40175925
  H     17.41435100      8.60561115    -16.53990198
  O     18.22695149      6.28429352    -18.37069793
  H     13.36686005      5.57951816    -15.84827550
  H     16.20861353      8.67532869    -14.66984737
  O     15.64431614      6.29329525    -19.09505239
  H     18.11580087      6.96978256    -12.90077235
  H     15.17950543      8.33443012    -15.79118498
  O     15.18577866      8.19205189     -9.90954782
  H     18.55214694      7.79260946    -11.67057709
  H     14.03651762     11.18372866    -14.88234718
  O     14.26745764      6.38269377    -12.79253768
  H     17.31301329      6.29262835    -18.71495664
  H     12.57025240     11.54149524    -14.55021765
  O     16.61793384      9.59074050    -13.09787903
  H     18.76497856      5.84177905    -19.02044242
  H     17.45386475      5.88580058    -10.16283979
  O     16.92746066      5.58033603    -15.95670146
  H     15.25314583      7.18050852    -19.06963411
  H     17.11098466      5.07171866    -11.42054297
  O     14.36922854      5.45362250    -10.12456661
  H     15.10239684      5.73553728    -18.52799489
  H     13.20784404      9.36489414    -15.67189641
  O     19.52686912      9.57346108    -14.72890811
  H     14.70699400      8.63921464    -10.61825811
  H     13.12184715      7.81496416    -15.92045267
  O     14.54707416      4.59996769    -16.98036471
  H     14.80363856      7.30679153     -9.85672464
  H     17.04535576      5.38226869    -14.13762487
  O     18.18051929      8.79499396    -17.10619784
  H     14.14975716      5.98839006    -11.91925997
  H     16.01418969      5.89871199    -13.10423326
  O     16.07530875      8.15958440    -15.47351586
  H     14.14270823      7.33634054    -12.68310704
  H     18.25924044      8.12272397     -9.10893208
  O     13.21110748     10.83692802    -14.49806060
  H     17.02920819     10.41822910    -13.37306113
  H     16.94241311      7.99808666     -9.90775683
  O     17.04151038      5.06381177    -10.45514647
  H     17.33057079      8.97680964    -12.87366601
  H     17.05493981     11.37015658    -18.79292542
  O     13.45980520      8.65388681    -16.27130219
  H     17.51275546      5.69205171    -16.71494918
  H     17.26314434     10.16428410    -17.85028385
  O     16.92967145      5.59736510    -13.20394363
  H     16.58367823      6.46479441    -15.74648457
  H     13.58171997      9.70467040    -12.96893772
  O     17.88889414      7.76878225     -9.91327565
  H     13.94265524      4.80546567     -9.57133566
  H     15.00647965      9.33774379    -12.54554238
  O     16.61606153     10.82690634    -18.14251250
  H     15.31098396      5.20954829    -10.17440149
  H     18.52038636     12.47126474    -13.83188869
  O     14.07229590      9.14554576    -12.35743813
  H     19.38420705      8.87680792    -14.07645582
  H     18.62691326     11.04454279    -14.42202923
  O     18.00301689     11.75798461    -14.19560106
  H     19.21536241      9.23811326    -15.58015584
  H     15.23993666      9.55904102    -18.67190402
  O     14.62341144      8.82909603    -18.79181519
  H     14.53912097      3.64858391    -17.05788714
  H     14.09193134      8.79915329    -17.98330246
          69
 Energy    -248.90566855427994     
  O     -1.80480927      4.12439916      2.46426384
  H     -1.69454415      3.30995679      2.98394165
  H     -4.20975764     -0.07582653      0.98382645
  O     -4.18017697     -0.89393738      5.66903460
  H     -1.52924943      4.84572821      3.02479120
  H     -5.25183573      3.35920258      0.44414911
  O      1.15989606      2.00750853     -1.28556233
  H     -3.24947890     -0.66327946      5.84039734
  H     -6.13312301      4.07498357     -0.60596603
  O     -4.55324487      3.39400917      2.03050995
  H     -4.58487673     -1.05575677      6.51694650
  H     -3.05628692      2.18989522     -2.30540636
  O     -0.40473045      0.41745731     -3.04678351
  H      0.49891166      2.55762420     -0.82797052
  H     -3.92917888      2.86627679     -1.19454764
  O     -0.76775564      3.49802729     -0.13301233
  H      1.87176573      2.58979584     -1.53708257
  H     -1.24006129      1.13244078      3.15722315
  O     -2.76347372     -2.17659733     -1.01151504
  H     -4.63736819      2.66326234      2.65552335
  H     -2.66737948      1.47698813      3.68293752
  O     -0.58024502     -2.08224114      3.87521889
  H     -3.65686356      3.73508320      2.13339437
  H     -2.63323002     -0.47018773     -0.30492244
  O     -4.45333215      1.03762641      3.62553355
  H      0.13863815      1.00442925     -2.50619700
  H     -2.74344994      1.09227856     -0.34414448
  O     -3.31102732     -2.77935751      3.66108752
  H     -0.28797981     -0.46673067     -2.67968611
  H     -3.96108893     -0.15204483     -3.14281621
  O     -4.28882303     -3.15810934      1.17571388
  H     -1.05793455      3.74747443      0.75065997
  H     -5.11420627     -0.34382950     -2.12843352
  O     -5.02801920     -0.42717630      1.37076306
  H     -1.57053824      3.27116207     -0.62416688
  H      0.90554928     -1.06566238     -0.48303374
  O     -5.55860223      3.32478463     -0.48012835
  H     -3.25681334     -2.59678379     -0.29735681
  H      1.36639553      0.40024194     -0.33996155
  O     -3.04007188      2.55957714     -1.41357885
  H     -3.39976125     -1.80275746     -1.64535337
  H     -1.35321813      0.06610931      1.41716997
  O     -1.73122795      1.71732728      3.75349765
  H      0.23479648     -2.57051186      3.79352081
  H      0.17350204     -0.18828547      1.43958387
  O     -2.63778793      0.32994361      0.23803531
  H     -0.57119907     -1.40390898      3.17746971
  H      0.12628981     -2.91326968     -2.13362791
  O     -4.43033900     -0.81649194     -2.62596614
  H     -4.73434565      0.50264524      2.86778658
  H     -1.06401730     -2.19702310     -1.45786313
  O      1.32619396     -0.44571528      0.12618228
  H     -4.49856943      0.45524506      4.39292337
  H     -1.94540806      0.92193550     -3.62737517
  O     -0.60362087     -0.09586778      2.00867957
  H     -3.71711380     -2.20845014      4.32313277
  H     -2.81949314      1.47395053     -4.78064804
  O     -0.13406150     -2.09261645     -1.72277739
  H     -2.35848516     -2.64138896      3.74119437
  H     -1.10592942     -0.91440755      5.30297535
  O     -2.84253075      1.22439752     -3.86112342
  H     -4.85878648     -3.92280536      1.18209359
  H     -1.49715156      0.57059880      5.28179187
  O     -1.54664159     -0.22913301      5.82190804
  H     -3.91597052     -3.07728848      2.07233085
  H     -6.09935173      1.52735644     -0.88207594
  O     -6.20586296      0.57573285     -0.99417088
  H     -4.94054025     -1.38668019      1.33737661
  H     -5.98339671      0.19583604     -0.13406085
          69
 Energy    -248.90556940179201     
  O     15.47797281      4.87977316    -12.35238003
  H     15.58587341      4.52629566    -13.24396601
  H     17.44133852      6.51043815    -15.36628187
  O     15.56743145     12.09849528    -12.44137998
  H     15.55638472      5.84556226    -12.41492607
  H     15.99094854      9.45707776    -15.72084141
  O     17.81262225     11.41314903    -14.09661263
  H     16.38284919     11.92953763    -12.92843422
  H     16.57940965     10.84660226    -15.39471454
  O     10.99688997      8.33393843    -15.82270848
  H     14.85022829     11.93361494    -13.06895929
  H     16.27187717      8.01774253    -11.86506468
  O     17.55293120      6.92846391     -8.81174240
  H     18.55297584     11.99640067    -14.24205773
  H     14.84801374      8.10894863    -12.46782039
  O     12.25078168      7.01627404    -13.66271936
  H     18.16778056     10.61931438    -13.65699993
  H     17.10389548      4.97296635    -11.36772073
  O     13.70331441     11.09349230    -14.27911338
  H     11.28725986      7.84971400    -15.03823837
  H     18.45770026      5.66436212    -11.64027195
  O     13.74002204      9.97342968    -17.69345122
  H     11.46348989      7.93878061    -16.56904059
  H     12.46056504      4.52794802    -11.13688666
  O     15.60373778      4.06264255    -15.06217474
  H     18.01233031      6.59759866     -8.04522877
  H     13.68340427      4.80091561    -12.02629655
  O     16.08275641      7.77285303    -15.23041908
  H     17.69948772      6.27350807     -9.51679087
  H     19.01125203      8.34683553    -12.91069705
  O     13.88907399      6.11071671    -15.73195032
  H     12.28025537      6.24898483    -13.07321127
  H     18.26400454      9.24637475    -11.90779938
  O     17.96124078      5.70767813    -15.21883844
  H     12.54950028      7.77546618    -13.14414538
  H     20.33848331      6.23271649    -13.18996259
  O     15.87090423     10.40677440    -15.88000716
  H     12.92175394     11.17003707    -14.83891152
  H     18.94432813      6.16159648    -13.84982428
  O     15.68165284      7.62355300    -12.51944391
  H     14.44045914     10.84266505    -14.85527215
  H     16.34686654      9.54070006    -10.29956676
  O     17.92089164      5.26475335    -10.94461433
  H     13.02544516     10.44690303    -17.24951657
  H     17.24922287      8.33884414     -9.84030739
  O     12.71737291      4.87994312    -11.98549482
  H     14.54925341     10.19491053    -17.21471658
  H     12.60708477      7.24360649    -18.81839440
  O     18.72911515      9.25496511    -12.75716731
  H     14.95766192      4.72639846    -15.35791955
  H     13.18404860      8.33476775    -17.88545219
  O     19.42510841      6.48007739    -13.06609972
  H     15.32027940      3.22535161    -15.42068093
  H     14.51667996     11.19592544     -9.58834249
  O     17.10222444      8.99234701    -10.54043216
  H     16.06967302      7.78066565    -14.26108560
  H     15.11368132     11.21825177    -11.01739902
  O     12.78585958      7.44564868    -17.90416287
  H     15.32364521      7.24091859    -15.50184633
  H     10.79332972     11.47681037    -16.27766489
  O     14.80305580     10.63234072    -10.30197209
  H     13.32131268      6.39893521    -15.00247459
  H     11.28991277     10.04812210    -15.94566938
  O     11.57572308     10.96994906    -16.07976037
  H     13.51819647      6.47148468    -16.54764131
  H     13.45283964      9.84511057    -13.01434901
  O     13.38613645      9.18278433    -12.30969314
  H     17.31129416      4.99636073    -15.20751997
  H     13.70880397      9.60782465    -11.50598569
          69
 Energy    -248.90517967666065     
  O     19.23015458      7.16617125    -11.45464010
  H     18.50811329      7.61148864    -10.99279047
  H     16.92220016     13.13158870    -13.83576417
  O     17.33635481     10.89448868    -11.66006446
  H     18.81916123      6.44351720    -11.94575393
  H     12.06876726      9.20145288    -15.44848819
  O     11.34760789      9.96933275    -14.07904002
  H     17.24017170     10.05523850    -11.19044506
  H     11.98833536      8.38066778    -16.75912865
  O     15.56898543      6.78100749    -12.46305448
  H     17.92843568     10.73929254    -12.41046705
  H     15.71965450     10.56493886    -12.49573091
  O     13.34314653      7.25015085    -10.79164199
  H     11.31376670      9.61754429    -13.18237085
  H     14.28783742     10.38009709    -11.95794988
  O     17.87152412      5.37005979    -13.23348309
  H     11.80681815     10.81894665    -14.02512964
  H     14.57195749     11.49587575    -16.83539894
  O     13.10926381     12.16941604    -14.06075448
  H     15.29343017      7.24280822    -13.26820798
  H     13.32615825     10.59245731    -16.66751215
  O     17.21137296      9.14747728    -15.77922803
  H     16.28808438      6.18778907    -12.71254084
  H     14.54927374      9.09521701     -7.94561917
  O     16.85501716      8.40132266    -10.56670164
  H     13.78678169      7.66119971    -10.04027911
  H     14.22688247      9.66910826     -9.34603838
  O     16.46197513     11.60016276    -16.94260344
  H     14.04612413      6.95864927    -11.38692972
  H     20.21353306      8.05137772    -12.59142349
  O     18.93949245      7.03158676    -15.09459125
  H     18.22425048      5.91237699    -13.96204006
  H     21.60927927      8.42440181    -13.14798874
  O     17.30628084     12.78444326    -14.64738861
  H     18.04183001      4.45976943    -13.45970843
  H     16.79055615     12.59786543    -11.70224465
  O     12.59528251      8.84037736    -16.18596925
  H     13.24523993     12.12050488    -15.01780050
  H     16.98517185     14.11313792    -11.47726525
  O     14.81981435     10.34274896    -12.76262745
  H     13.78629853     11.59791053    -13.67033920
  H     14.53297821     13.41105551    -11.62614126
  O     13.61882607     11.51132355    -16.68521271
  H     16.38405805      8.81232860    -15.40423662
  H     13.26600740     13.07337980    -12.42484368
  O     14.68768990      8.95065951     -8.87787826
  H     16.97841080      9.91371646    -16.31798201
  H     19.56595100      9.92046185    -13.73201550
  O     20.67532695      8.50319654    -13.32094072
  H     16.39951224      7.88272823    -11.24664715
  H     18.25867905     10.00418823    -14.55920260
  O     16.44223766     13.47497140    -11.93528668
  H     16.21048884      8.56069061     -9.86643721
  H     10.53889037      8.69349078    -11.02193337
  O     13.59063642     13.22782021    -11.52605517
  H     16.82520595     12.07707920    -17.68485544
  H     12.02048696      8.30659787    -11.24477098
  O     18.81627182     10.49294184    -13.93578962
  H     16.70265475     12.10336915    -16.14409544
  H     12.50997799     10.32552681    -10.70826820
  O     11.35777775      9.00308310    -11.40093812
  H     19.63594847      7.51029418    -14.62889662
  H     13.32515886     11.67794370    -10.68845382
  O     13.31918242     10.75260336    -10.39869430
  H     18.36299447      7.70514626    -15.47955103
  H     14.76841267      9.07828331    -13.97603441
  O     14.83957136      8.34812182    -14.61229658
  H     17.97217132     12.13690807    -14.37820943
  H     14.07483909      8.40424712    -15.19795924
          69
 Energy    -248.90516060573282     
  O     16.40993029     12.66394041    -16.75938172
  H     16.22021168     13.56307784    -17.01417973
  H     18.04798201      5.17965211    -12.57798709
  O     15.22061600      6.60099752    -13.41918722
  H     15.84070852     12.46689301    -15.99493297
  H     18.13003170      9.75104144    -18.16524613
  O     19.02110039      8.33500517    -12.15443185
  H     15.89485576      6.40015829    -12.75569087
  H     19.45626049      9.68437539    -18.95287484
  O     17.49770579      5.77764279    -17.13774360
  H     14.77972303      7.40749837    -13.12179199
  H     17.19946362      7.21538800    -15.89440049
  O     14.68777955      5.95214164    -17.80641089
  H     18.71774896      8.99198792    -12.79980068
  H     16.28853877      7.37883079    -14.64514251
  O     14.22277554      9.03171892    -12.48056731
  H     19.65117042      7.79198535    -12.64297031
  H     15.25774667     11.84064589    -13.81500521
  O     18.07450546      9.97732174    -14.13709442
  H     17.46802610      4.97541306    -16.59810393
  H     14.13757550     11.36410554    -14.76008689
  O     17.26616969      3.57915909    -15.39308393
  H     16.62468533      5.86798018    -17.53700570
  H     13.50966192      9.35640960    -15.63565373
  O     15.23422401      7.99059965    -10.07514406
  H     14.21270800      5.44148180    -18.45625699
  H     12.11111252      9.87532161    -15.23084069
  O     19.76608488      7.28928417    -16.54489490
  H     14.58883222      5.48807703    -16.95431947
  H     21.43072428      6.56333393    -13.98745009
  O     14.65773349      4.71484965    -15.40170089
  H     14.91410303      9.71240399    -12.45916078
  H     20.24386899      6.97341652    -14.88448778
  O     18.50106035      4.78899394    -13.33506273
  H     13.65227763      9.26007743    -13.22405494
  H     16.54149750      6.80055252    -10.81966963
  O     19.08567301      9.58628022    -18.07901461
  H     17.66439588      9.25972007    -14.64063514
  H     17.80599232      7.09254611    -11.66549010
  O     16.77888478      7.86663825    -15.32131076
  H     18.48760014     10.58770375    -14.76179481
  H     16.76741707      9.23356273    -10.01107734
  O     14.81638991     12.03906815    -14.65209017
  H     17.56332692      2.67491672    -15.44359409
  H     18.12993069      9.38212369    -10.71519501
  O     13.01091925      9.79290276    -14.92449196
  H     17.70812906      3.97644905    -14.62050422
  H     16.37936562     11.10338533    -17.78647788
  O     20.48867502      6.71362422    -13.97885911
  H     14.76067156      8.34441907    -10.84466547
  H     15.72437103      9.70931757    -17.86548261
  O     17.15916428      6.40365862    -11.44487611
  H     14.58993632      7.90116869     -9.37680454
  H     16.84425598     10.69275469    -13.10335985
  O     17.45024582      9.87549958    -10.23873079
  H     19.11465414      6.66779724    -16.89630475
  H     16.58800219     10.80779594    -11.58866775
  O     16.44582090     10.24133076    -18.21910623
  H     19.60700263      8.11872102    -17.01194169
  H     18.18451114     12.09169470    -16.32884664
  O     16.18318316     10.97266171    -12.45036960
  H     15.46826386      4.19150385    -15.35936918
  H     19.17394027     11.00620956    -16.80168298
  O     19.00822394     11.64396733    -16.09570787
  H     14.71659926      5.33885280    -14.66492712
  H     15.38640317      8.45455744    -16.26261758
  O     14.59713224      8.57977911    -16.81355226
  H     19.22311810      5.39071776    -13.55698849
  H     14.47285749      7.73657142    -17.26651476
          69
 Energy    -248.90494280945239     
  O     14.31821292     10.60736272    -16.93228804
  H     13.81408322     11.25281509    -17.41985199
  H     19.81743285      7.82589108    -13.02445901
  O     15.49554984      6.20740606    -12.51335216
  H     14.04717187     10.68930434    -15.99869041
  H     17.99049588      8.96389891    -17.38742482
  O     19.53210794      9.45256120    -12.68502315
  H     15.73428585      6.82676549    -13.22184539
  H     19.22706917      8.44953061    -18.15922593
  O     12.71675281      6.56127636    -14.91799726
  H     15.09549367      5.45408014    -12.96126794
  H     16.94772002      7.23896751    -14.95007097
  O     16.33660334     11.60692865     -9.66872294
  H     18.80586612      9.81602904    -13.20737212
  H     15.53885025      7.78747085    -15.34090772
  O     14.19870862      8.39286706    -11.38075698
  H     19.35505500      9.71113741    -11.76898192
  H     14.13420032     10.92755441    -13.63661117
  O     17.22830810     10.24951352    -14.06219931
  H     13.19459096      6.97197006    -15.65217130
  H     12.95928217     10.00667501    -14.01237759
  O     16.32369015      4.70439062    -16.28435326
  H     13.20642901      5.76035921    -14.69883041
  H     18.17976305      7.18132723     -8.22947438
  O     15.38549277      9.17361967     -8.94566281
  H     15.95935717     10.77732324     -9.32152307
  H     17.86365232      7.12097566     -9.74042620
  O     18.43550604      6.34858533    -15.49199183
  H     16.18835199     12.27547585     -9.00588177
  H     11.11084390      8.52183374    -13.05384256
  O     14.42538354      4.33208201    -14.34672289
  H     14.64085507      7.58126683    -11.66500849
  H     12.25799330      7.80047583    -13.80038962
  O     19.92004227      6.87407971    -13.21636756
  H     13.38626550      8.45140436    -11.89870120
  H     18.61383837      6.36677505    -11.87974026
  O     18.44311011      8.15872543    -17.70086369
  H     16.64292696     10.62069775    -13.39016882
  H     17.10784008      6.10435475    -11.63261241
  O     16.19884920      7.76484554    -14.63739478
  H     16.87206759      9.36636164    -14.24625348
  H     18.04789998     10.72215226     -9.98227625
  O     13.53488596     10.69896099    -14.35891338
  H     16.16828463      5.18507875    -17.10383528
  H     18.51221611      9.29420617     -9.65922085
  O     17.79537534      7.67937107     -8.94585401
  H     17.14455098      5.08090456    -15.93699713
  H     17.03668500      7.13525600    -18.27999652
  O     12.05232321      8.54205142    -13.20321280
  H     16.16045444      8.59950557     -8.88288896
  H     16.26950493      6.44992162    -19.43225845
  O     17.96501575      6.18163203    -11.19230324
  H     14.86721975      8.84704818     -9.69346388
  H     15.64517318     11.28892162    -11.37109887
  O     18.78232768     10.10931780    -10.10056143
  H     18.64729529      6.97307728    -16.19635243
  H     14.98332454      9.99860463    -11.90362432
  O     16.24080974      6.62302676    -18.49420208
  H     19.02391966      6.51152177    -14.74132961
  H     17.29719467     10.46917639    -15.86803503
  O     15.29708276     10.87508818    -12.16991281
  H     15.09390707      4.43050627    -15.04714495
  H     16.22251208     10.51135755    -16.96312719
  O     17.16204317     10.35010514    -16.81975060
  H     14.21249912      3.40360127    -14.30262113
  H     14.29971306      8.77584263    -16.93977792
  O     14.35973700      7.82437294    -16.77973011
  H     20.81523735      6.64185909    -12.98508125
  H     14.91683029      7.43942613    -17.46676334
          69
 Energy    -248.90489910311027     
  O     10.94175623      9.36781761    -11.82974065
  H     11.81515052      9.75398923    -11.67775431
  H     16.01426384      6.38937035    -13.73163925
  O     11.53820852      2.92631180    -11.62228302
  H     10.92910102      9.16042137    -12.77016858
  H     14.03740759      6.19039622    -12.97881841
  O     17.28434307      6.47782541    -12.45713159
  H     12.42975107      3.10214196    -11.27690643
  H     12.51276334      6.05812330    -12.74434265
  O     14.73024205      3.81825367    -15.16211556
  H     11.28572340      2.06410685    -11.30079971
  H     10.11505802      7.90704916     -9.11909594
  O     16.34394472      4.40133818     -9.60151337
  H     16.87049850      6.66631744    -11.60250692
  H     10.72004714      8.21541007    -10.50723358
  O     16.03087594     11.38891077    -11.46073723
  H     17.76450448      7.28129416    -12.70703389
  H     18.25595773      9.23361220    -11.93882386
  O     14.19155726      9.00324275    -14.22897531
  H     15.14562890      3.37268187    -14.40095201
  H     17.77882135      9.52523445    -13.37570499
  O     11.93232436      3.64245507    -14.43247246
  H     14.97171565      3.32216836    -15.93998331
  H     12.64162714      7.57353115     -9.70030774
  O     17.66073589      9.67494036    -10.14462273
  H     16.38726257      5.36547555     -9.54856421
  H     13.50098097      7.03445174    -10.85216719
  O     15.78610737      2.74446885    -12.94204986
  H     17.03529278      4.14102032    -10.22166379
  H     17.90853055      4.84461632    -12.13476292
  O     14.04589752      3.72124868    -10.94684325
  H     16.24204872     11.32743236    -12.39998347
  H     19.06401684      3.84639605    -11.89154155
  O     15.23077255      6.43628902    -14.29954863
  H     15.14457596     11.00715587    -11.37949709
  H     15.34326096      7.38478160     -9.85549408
  O     13.36747873      6.05145663    -12.29745138
  H     14.56603883      8.11714158    -14.33924291
  H     16.75178958      8.05595266     -9.91353656
  O     10.73517746      7.58190671     -9.76703805
  H     13.25236458      8.94447405    -14.44729871
  H     15.62935385     10.09520813    -14.28555171
  O     18.35013859      8.94630870    -12.85610235
  H     12.87140126      3.64038193    -14.65166826
  H     16.52792976     11.11531749    -15.01646327
  O     13.54103015      7.57651225    -10.04724010
  H     11.84324797      3.28026626    -13.54223815
  H     10.26006428      5.97502885    -10.75821126
  O     18.11554623      3.93725405    -11.85240363
  H     18.20290155     10.13289446     -9.50763570
  H     10.46689473      4.54149124    -11.34150761
  O     16.28919401      7.20947614     -9.95639184
  H     17.07291216     10.34139802    -10.54330194
  H     13.69957658      9.14445417    -10.97645140
  O     16.43855469     10.62564586    -14.20244399
  H     15.15924639      2.95170418    -12.23606670
  H     13.88873403      9.56259382    -12.45996165
  O      9.96755654      5.36138038    -11.44246769
  H     16.64963778      3.02674214    -12.61697844
  H     10.82983430      8.90066311    -15.31694420
  O     13.69345339      9.90350624    -11.57614897
  H     14.78104893      3.90776828    -10.34570147
  H     11.23982152      7.72673237    -14.39662688
  O     11.41864115      8.66167827    -14.60568216
  H     13.83213531      4.54974090    -11.40093944
  H     10.45312366      5.92442235    -13.05067632
  O     10.97981863      6.12141548    -13.84046526
  H     15.10073755      5.57218503    -14.71127030
  H     11.24689154      5.27180895    -14.22123163
          69
 Energy    -248.90465435567182     
  O     18.95205136     10.56543659     -8.05685873
  H     19.01310505     11.38273523     -7.56940104
  H     18.43826507      8.91894296     -7.19556834
  O     17.74238960      5.29159789     -9.54247679
  H     19.75963520     10.49944773     -8.59824998
  H     17.88085811     10.18998822     -9.50764513
  O     18.16952168      3.99942941    -12.78623508
  H     17.12725249      4.95579769    -10.20363213
  H     16.59232561      9.50687436    -10.07416349
  O     18.96114603      6.65002031    -13.38688831
  H     18.18748601      6.06092855     -9.92997499
  H     21.36644624      9.31805769     -9.56292015
  O     22.69905951      5.90610765    -11.46716462
  H     17.30848212      4.06621107    -12.34475901
  H     21.06737955     10.38784810    -10.62596787
  O     15.80643864      4.53785955    -11.41421438
  H     18.13558468      3.21194789    -13.32552459
  H     16.62084677      8.67663879    -15.08747730
  O     21.50505227      7.80285832    -13.21443549
  H     18.68056374      5.73189741    -13.28981272
  H     17.37690145      9.11256168    -13.80690529
  O     20.65967606      6.58205261     -7.03830953
  H     18.23992884      7.14803684    -13.79270365
  H     19.85315580      4.04634957    -11.64562567
  O     14.19375730      4.94971521     -9.05082114
  H     23.52474385      5.43524973    -11.53542656
  H     20.51954729      4.05693399    -10.24533659
  O     21.40914869      7.46729405     -9.52351902
  H     21.99494582      5.23284308    -11.41727613
  H     13.46808140      6.98244234    -11.43271644
  O     18.91523453      7.48305523    -10.70556820
  H     15.65294481      5.41740110    -11.79790944
  H     13.20612505      6.28458756    -10.09322630
  O     18.18487653      8.06021148     -6.83776873
  H     15.18882484      4.46070146    -10.67768572
  H     14.26856388      8.21123105     -9.92449611
  O     17.46116086      9.86038385    -10.31190048
  H     22.00641236      7.17931308    -12.67565568
  H     15.49886358      7.89303316     -9.03766221
  O     21.09447486     10.23934085     -9.67302980
  H     20.66500049      7.36610936    -13.40995914
  H     15.46547197      7.62578862    -11.43405662
  O     16.91203982      8.36845723    -14.23392737
  H     21.36158790      6.69552823     -6.40163358
  H     15.82803185      7.57472142    -12.94736056
  O     20.69760339      4.13137280    -11.19581930
  H     20.99754102      6.91640459     -7.88653216
  H     21.25620552      9.46324018    -12.77754647
  O     12.94756799      7.04967676    -10.62333642
  H     14.76985977      5.52517759     -8.52127250
  H     21.64456361     10.93838483    -13.02599718
  O     15.18079026      8.47276267     -9.74426786
  H     13.76585705      4.35961575     -8.43432628
  H     16.67808068      7.17660421     -7.32915597
  O     15.37323119      7.10156887    -12.24112934
  H     21.98372207      6.96013911    -10.10875064
  H     16.67652464      6.08723118     -8.40009875
  O     21.04994012     10.38226606    -12.52888025
  H     20.53298754      7.47268775     -9.94127912
  H     19.19235568     10.38245399    -12.85307825
  O     16.08064589      6.62509905     -7.85477340
  H     18.95720351      7.27215626    -11.64721918
  H     17.90593920     10.28028054    -12.00948774
  O     18.23460120     10.29194911    -12.92020620
  H     18.44007259      8.31662871    -10.59951751
  H     20.31437454      4.83621661     -7.89037713
  O     20.02752241      4.14937673     -8.50157643
  H     18.98836657      7.52545774     -6.83797263
  H     19.14235651      4.42849277     -8.78005539
          69
 Energy    -248.90465202557624     
  O     17.53021763     11.20908449    -14.86431676
  H     17.70015000     10.91058175    -13.95987679
  H     14.49356702     12.46058114    -11.26395672
  O     15.28301801      7.16758072    -10.77539660
  H     16.73343412     11.74854286    -14.81162733
  H     14.41978521     10.16645220    -11.53568530
  O     11.80072883      8.63460478    -13.46056924
  H     14.33594435      6.98078915    -10.84860555
  H     15.03081759      8.73225979    -11.60884812
  O     13.21673512     11.27329625    -10.63892738
  H     15.69621210      6.77792437    -11.55941504
  H     17.79617020      9.72823531    -15.74353970
  O     13.74222980      5.61180084    -16.03359371
  H     11.57496030      7.83873471    -13.96626352
  H     18.45684252      8.92712378    -16.89178621
  O     16.12901040      6.22862266    -13.25137185
  H     12.47020802      9.12596681    -13.95351790
  H     11.56613415      3.96322826    -11.89733693
  O     13.96785783     10.02022651    -14.54188699
  H     13.24192903     10.96687465     -9.72293739
  H     12.32149389      5.30981920    -11.95058888
  O     15.76591759      9.19249570     -8.82078465
  H     12.34633390     11.04231833    -10.98661509
  H     18.46563995      7.96743251    -14.44786491
  O     14.56420302      3.93968669    -13.78817433
  H     14.08908212      4.96181894    -15.41221050
  H     17.84203953      7.04015722    -13.38554078
  O     13.32552782     10.06834602     -8.10260695
  H     14.33153404      6.37593669    -15.96802486
  H      9.92196705     10.66272904    -11.84710057
  O     11.36211083      8.46661556     -9.40981910
  H     15.70569965      5.37540779    -13.40296224
  H     11.04419519      9.69178400    -12.28151076
  O     15.30738186     12.82432835    -11.64037662
  H     15.83883546      6.80630974    -13.97286202
  H     12.40931808      7.50953601    -12.07860584
  O     14.95494300      9.57277006    -12.07756401
  H     14.34059353      9.79943742    -13.67059002
  H     12.12201760      7.35341171    -10.56138484
  O     17.91892616      8.83396719    -16.11051678
  H     14.21823781     10.93879095    -14.68685446
  H     11.48204645      5.53567461    -13.97545289
  O     12.19795074      4.46116334    -12.41005171
  H     15.75619720      8.43012733     -9.41395397
  H     12.15677818      6.04331660    -15.25630118
  O     18.54455449      7.68829259    -13.52708461
  H     16.31054984      9.87507457     -9.23075135
  H     17.57922101     10.89113915    -10.83821852
  O     10.74589824     10.27611162    -11.56263092
  H     13.73713767      4.06239322    -13.29545684
  H     18.06079850     11.71709060     -9.62404062
  O     12.56101914      6.93453550    -11.31662083
  H     14.73665493      3.00131338    -13.80753080
  H     14.87531984      8.59458133    -15.25547692
  O     11.42352958      6.22132835    -14.64736127
  H     13.33417633     10.38505107     -7.20365857
  H     16.25315514      8.11523565    -15.78625960
  O     17.27928185     11.36069511    -10.03959978
  H     14.21494667      9.71438280     -8.28568547
  H     15.19292792     12.72817408    -13.40800783
  O     15.40209781      7.80799060    -15.44875478
  H     11.99111309      8.95545230     -8.86384434
  H     14.89249835     13.50162501    -14.70893236
  O     15.09642070     12.63296081    -14.37189746
  H     11.00425845      9.10643353    -10.03851851
  H     16.72469989      9.86723624    -12.31687020
  O     17.68419294     10.00383189    -12.33401626
  H     16.01705665     12.46409763    -11.09694045
  H     18.08572383      9.18070299    -12.64733064
          69
 Energy    -248.90463583080185     
  O     -1.44287741      2.80249297      1.17993553
  H     -2.15927611      3.01587784      0.57277694
  H     -4.02306325     -1.57895548      0.22730746
  O     -1.61717851     -0.67079552      4.37481249
  H     -1.62869107      1.90178045      1.48748890
  H      2.18297612     -1.23806565      3.76047498
  O      2.94360896     -3.07620159      1.13138380
  H     -0.99118298     -0.01235174      4.69754570
  H      1.57343909      0.16035102      4.13097808
  O      0.25847435     -1.87485753     -2.21211652
  H     -1.89888350     -0.35244649      3.50568728
  H      0.32369100     -2.35856390      0.66945191
  O     -1.87519014     -0.41506257     -2.88926283
  H      2.09985088     -3.29989542      0.71647359
  H     -0.52415420     -3.64409546      0.59607469
  O     -3.49501859     -0.04382693     -0.64022486
  H      2.77638694     -3.12453276      2.08022626
  H     -1.10236366     -0.15499578      1.56391557
  O     -1.23531464      2.33709360     -2.41219235
  H      0.22926325     -2.49153352     -1.46951603
  H     -2.52893475      0.00351429      0.96552348
  O      0.85407430      2.60458949     -0.46359712
  H      0.89270203     -1.18903429     -1.95672031
  H     -2.51815783     -4.94864457      1.46794225
  O      4.21754377     -0.94767874      0.00362529
  H     -1.11690847     -0.98380602     -2.66477544
  H     -2.82395471     -3.45709271      1.22950674
  O      1.85588915      0.10167997     -1.11845018
  H     -2.16335197     -0.67567882     -3.76010660
  H      1.28599770      3.36090681      2.64623796
  O      0.52295365     -0.64689458      1.23500171
  H     -2.95024549     -0.25049076     -1.41266532
  H     -0.24349588      3.20322077      2.54561483
  O     -4.15794234     -2.32787525      0.82675189
  H     -3.64489995      0.90922457     -0.66893376
  H      2.39626329     -3.65594010      4.57348061
  O      2.13772127     -0.30831203      3.50251083
  H     -1.30912372      1.40014479     -2.63452018
  H      1.14034972     -3.14915218      3.82435654
  O      0.27182172     -3.22974753      0.24511257
  H     -0.41212441      2.45019037     -1.92156633
  H     -1.11883298     -3.49021369      3.03020053
  O     -1.99549211      0.17969944      1.74844728
  H      0.06297676      2.62508970      0.09347755
  H     -0.96894265     -2.31699770      4.03060963
  O     -2.12154492     -4.08053814      1.47585198
  H      1.55073857      3.01525801      0.06436441
  H      0.42154984      1.98154611      4.40519718
  O      0.49329862      3.19960719      3.17102188
  H      3.79066791     -1.72103057      0.41438304
  H      0.49661489      1.65433296      5.91408772
  O      2.11113508     -3.06852548      3.87933565
  H      4.98802555     -1.27402718     -0.45349992
  H      4.14038282      0.45549344      1.25525717
  O     -0.56911982     -3.15200216      3.74374393
  H      1.64828896      1.02981138     -0.94396102
  H      3.34369224      0.64871291      2.55555732
  O      0.41616525      1.25351385      5.05266958
  H      2.74413057     -0.10384343     -0.80073588
  H     -2.66544794      2.71210274     -1.49207667
  O      3.88352606      1.12011956      1.90463362
  H      1.10625152     -0.51881900      1.99357569
  H     -3.99060100      3.47471037     -1.24707906
  O     -3.41825875      2.80693581     -0.87939279
  H      0.98207993     -0.33765135      0.44432702
  H      3.39852881      4.19239717      1.44572064
  O      2.74243389      3.50233613      1.40348270
  H     -4.69997082     -1.98986409      1.53807043
  H      3.20372166      2.66232238      1.58222844
          69
 Energy    -248.90453515602638     
  O     13.61799412     10.40023684    -16.88699777
  H     12.97166901     10.95755267    -17.31216547
  H     14.17744451      3.57743436    -13.56447467
  O     15.67452932      6.62971805    -12.48956198
  H     13.56240497     10.58543978    -15.93178610
  H     17.15209545      8.90583887    -17.88658366
  O     18.83438848      9.49604443    -12.41666439
  H     15.74832287      7.15916633    -13.29995566
  H     18.34703448      7.93506605    -17.68439867
  O     19.93858341      7.70233898    -16.62238816
  H     15.22261113      5.81776261    -12.74717219
  H     16.80714234      7.30763887    -15.08782991
  O     12.59276101      6.67600049    -14.29150404
  H     18.24177433      9.75673651    -13.13424058
  H     15.36479702      7.81128707    -15.45453415
  O     17.76875417     11.26846962    -10.48121181
  H     18.62168731     10.08715990    -11.68421757
  H     14.15181537     11.10126807    -13.60985797
  O     14.54352699      8.79120402    -11.21569220
  H     20.79154178      7.59025088    -17.03387053
  H     12.94462625     10.15128232    -13.71290084
  O     17.13937413     10.42506724    -14.56618274
  H     19.99273183      8.50729144    -16.07869971
  H     18.56879709      6.21655206     -8.94723649
  O     16.04338692      4.65099260    -15.87763163
  H     12.95070906      6.98291671    -15.13660926
  H     18.37817643      6.76081760    -10.36879734
  O     16.55246551      9.21395465     -9.25482108
  H     13.08866012      5.87957691    -14.07094110
  H     11.22248345      8.78765786    -12.41602950
  O     18.25764574      6.12551807    -15.01756254
  H     17.35018344     10.56117581     -9.95492822
  H     12.27377329      8.00464365    -13.23885543
  O     14.36317324      4.49332490    -13.75201356
  H     18.11954532     11.90277607     -9.86296137
  H     19.01655159     10.28655644    -15.10945369
  O     17.48112737      8.01906448    -18.09583015
  H     14.94822492      7.98301126    -11.56371455
  H     19.97870952      9.73840234    -14.07077687
  O     16.11107094      7.93712382    -14.85558710
  H     13.64670187      8.81086051    -11.57109339
  H     18.63000059      7.69952883    -12.28383903
  O     13.46036728     10.79937429    -14.20970226
  H     16.60553049     10.82579631    -13.86762270
  H     17.47053517      6.65564526    -12.24766700
  O     18.16523403      6.92732521     -9.43962303
  H     16.75823436      9.54477279    -14.72505894
  H     16.27512048      6.82199082    -18.24331532
  O     12.13834616      8.79195201    -12.68066386
  H     15.84399648      5.06906972    -16.72322667
  H     15.48832624      5.84891370    -19.15575759
  O     19.89653280      9.89792318    -15.01852449
  H     16.89821440      5.00750640    -15.59849544
  H     16.31365290     11.39176822    -11.73229489
  O     18.43611594      6.74998643    -12.25130717
  H     17.08025574      8.40313745     -9.24049686
  H     15.25691341     10.30338313    -11.97809587
  O     15.54197827      6.17850042    -18.26317660
  H     15.76249400      9.02584091     -9.77729024
  H     16.71907709     10.66804656    -16.41752824
  O     15.62910408     11.11587963    -12.35345675
  H     18.92295930      6.57737903    -15.55171178
  H     15.47285283     10.51547837    -17.29085618
  O     16.43679707     10.47769779    -17.32011772
  H     18.48454642      6.24736990    -14.08615285
  H     13.76477798      8.55627243    -16.81211091
  O     13.89808727      7.63673468    -16.54741228
  H     14.93947366      4.50693736    -14.53758697
  H     14.34707514      7.16323492    -17.25956694
          69
 Energy    -248.90445347979912     
  O      0.01928306      0.62044026      1.64146784
  H     -0.22803538      0.95201921      2.51437504
  H      0.44035801     -2.13557682      2.80999777
  O     -0.58233074     -1.30578449     -1.66070908
  H     -0.06998292     -0.34096284      1.67597699
  H      4.09381271      2.12955511      3.10455101
  O      4.10087598     -1.60330332      2.63901798
  H     -0.04016401     -1.98509886     -1.24585802
  H      3.11912905      1.04335246      3.61855553
  O     -2.96216010     -0.39144976     -0.85145153
  H     -0.01677655     -0.53105836     -1.79027381
  H      1.31455720     -4.00334142     -0.53689642
  O      1.83850152      3.92042097      1.49351111
  H      4.24076911     -0.66051322      2.79803534
  H      1.82996303     -2.59030934     -0.16434969
  O      0.74790975      1.15588164     -1.74609164
  H      3.34027749     -1.84393123      3.18102131
  H     -0.64698220      4.59606160      3.43757630
  O     -2.85898661     -1.18043181      1.90101571
  H     -2.13184506     -0.78685841     -1.17829998
  H      0.69143643      3.96366827      2.98595328
  O     -2.08841824      5.34217263      2.52796276
  H     -3.64079811     -0.61137308     -1.48363638
  H      3.01445096      3.70368524      4.82314731
  O     -3.41478658      0.76490584      3.68242727
  H      1.10066446      4.27070898      0.97188754
  H      1.49938358      3.73316888      5.04048669
  O     -0.73943891      1.44407278      4.15658431
  H      2.06647067      3.06703144      1.10450492
  H     -0.93789247      3.77157909     -0.00878964
  O      3.12276501     -1.49798555      0.05875999
  H      1.46628827      1.31267208     -1.12229111
  H     -1.06051722      4.99031985      0.92503526
  O     -0.18594285     -2.10792056      2.07572020
  H     -0.01328927      1.62685321     -1.38993066
  H      1.71605360     -2.49199356      4.99767970
  O      3.83479164      1.20779660      2.98818840
  H     -2.01065592     -1.63227023      1.99767955
  H      1.76271339     -1.01944959      4.54176340
  O      1.03431300     -3.15256074     -0.21143084
  H     -2.95008253     -0.96166864      0.96543730
  H     -1.03364911      1.50413843      0.50556750
  O      0.08444227      4.04041838      3.73514057
  H     -2.70698160      6.05560946      2.65681619
  H     -2.18570822      1.26635795     -0.49180735
  O      2.32143714      3.39415530      5.41858770
  H     -2.61230338      4.53639803      2.36479061
  H      1.56988768      1.01210521      0.93924970
  O     -0.49779092      4.59033872      0.25042393
  H     -3.24965425      0.03621382      3.05621370
  H      3.05028989      1.22287686      1.33248505
  O      1.69580989     -1.93466447      4.22242552
  H     -4.12207333      0.48198780      4.25541186
  H      2.09107718      1.58247565      5.28344774
  O     -1.61662623      1.95622477     -0.12571957
  H     -1.68618203      1.26546405      4.11616663
  H      0.86180336      0.87304863      4.70439339
  O      2.43267708      1.29463679      0.59091164
  H     -0.58981331      2.39744878      4.06954513
  H      3.28196968      4.13267722      2.55889008
  O      1.79783150      0.73657744      4.91423970
  H      2.95581688     -0.55250796      0.00711702
  H      4.65737258      4.71117093      2.96196332
  O      4.02173564      4.03486556      3.18189444
  H      3.55736383     -1.63636548      0.91413042
  H     -3.44551946      2.26524493      2.55536867
  O     -3.30095240      3.00251521      1.95022289
  H      0.21483227     -2.56865165      1.32598975
  H     -2.82441958      2.63914163      1.19404753
          69
 Energy    -248.90434325796414     
  O     16.56617970      7.93078325    -12.08512029
  H     16.73012136      8.83810460    -12.38796759
  H     14.48864451     10.79267293     -7.31963400
  O     16.17068456      6.65337099     -5.75161424
  H     15.61479014      7.75024044    -12.09776140
  H     16.64589231      3.74973233    -11.91939295
  O     17.10444230     10.50877779    -12.58049472
  H     16.46598596      5.90714056     -5.23632472
  H     17.95701860      2.98842068    -12.23287415
  O     13.69958147      7.93571299     -6.30804633
  H     16.35354890      6.44241629     -6.68272366
  H     17.17992066      6.09107434     -9.08152143
  O     13.91519734      7.20074802    -11.96736670
  H     18.04661162     10.57814253    -12.37142146
  H     16.29642865      7.26710270     -8.65254528
  O     19.78833162     10.57935836    -11.70678840
  H     16.65818886     11.17387734    -12.04434966
  H     16.82004578      6.63079931    -13.51400088
  O     18.20792168      6.16663032    -10.63734720
  H     14.48019127      7.44760490     -6.01972358
  H     17.16231667      5.13095975    -13.50592206
  O     12.15845718      7.05944191     -8.32881587
  H     13.93659843      8.87055003     -6.26744576
  H     13.70441003      5.06944592    -14.85176854
  O     16.01946342     12.42968894    -10.71128681
  H     13.97857389      6.63464361    -11.18314872
  H     15.02086663      5.44904921    -14.13042218
  O     12.68293082      9.11024056    -10.27471698
  H     13.79915694      6.61090753    -12.72230452
  H     16.35168823      8.70477412    -10.33566147
  O     14.34438507     10.89792371     -9.07924317
  H     19.86463830      9.77587061    -11.16082168
  H     15.52908967      9.53333173     -9.29683010
  O     14.58042380     10.62563170     -6.36654865
  H     20.62996702     10.69815529    -12.13802355
  H     19.01365243     11.66337272    -10.32971418
  O     17.59177186      3.86217047    -12.12406496
  H     17.67260385      6.79073306    -11.15015643
  H     18.50736777     11.33686171     -8.91847801
  O     16.48716592      6.33572402     -8.45476504
  H     18.14482890      5.32140785    -11.09878664
  H     16.27469603      9.86895136     -5.82426349
  O     16.74214170      5.82174206    -14.03434101
  H     12.68635260      7.37441382     -7.57248061
  H     16.84083079      8.46229061     -5.56078142
  O     14.07548360      5.25737324    -13.99423815
  H     11.29953517      6.82568079     -7.98720751
  H     13.37316291      5.97313850     -9.20506487
  O     16.22048407      8.86820423     -9.39535372
  H     16.87945608     12.33302241    -10.26174065
  H     14.91190535      5.75826693     -9.21870887
  O     18.45565472     12.00206882     -9.61849362
  H     15.94593438     13.34477157    -10.97021183
  H     19.44116048      7.58025811    -10.19887998
  O     17.09028487      9.39174428     -5.62699568
  H     12.40336995      8.47239025     -9.60607975
  H     19.52310942      8.79053143     -9.22980175
  O     14.09653072      5.57120458     -9.70331039
  H     13.03326421      8.57960450    -11.00126559
  H     18.16400828      9.64952670     -7.08326549
  O     19.87230945      8.43076052    -10.05757776
  H     13.67889735     10.38208467     -9.56225722
  H     17.69516588      9.43988246     -8.53032576
  O     18.45833456      9.71616811     -8.00096353
  H     14.80861997     11.48449390     -9.69022889
  H     14.50052598      4.12264583    -12.47476189
  O     14.91037082      3.74210077    -11.68829529
  H     14.23537775     11.39494143     -5.91990126
  H     14.56465293      4.24437018    -10.93846212
          69
 Energy    -248.90399767629316     
  O     14.04157121      7.12803754     -7.93199168
  H     13.98193161      7.14611652     -6.98082790
  H     11.97059026      6.05401027    -14.94820620
  O     13.41955837      5.11606728    -15.45181692
  H     13.14928104      6.92760265     -8.26849033
  H     16.14428082      8.23449952    -12.66288929
  O     16.94824537      6.26051263    -14.96974786
  H     13.91164292      5.88066858    -15.78213816
  H     14.77006354      7.83079457    -13.23290134
  O      9.89230797      6.48063942    -12.24682208
  H     14.04658594      4.58958355    -14.94573548
  H     12.96574752      8.05819701    -12.11812654
  O     18.06433413      4.46903026    -10.24516324
  H     16.63300044      6.93046242    -14.34394080
  H     12.56679511      7.09053318    -13.27617749
  O     11.32961744      4.42574926    -10.82641205
  H     16.50373529      6.47117853    -15.79542821
  H     11.10642126      7.28976833     -9.39010738
  O     16.85250332      7.91807604    -11.03397956
  H     10.30462438      5.71145199    -11.83494793
  H     11.48269406      5.80063512     -9.51838354
  O     13.60308098     10.30551404    -13.91150679
  H     10.26489326      6.54425713    -13.13657920
  H     18.51942627      5.62465935    -14.18235993
  O     17.82595761      2.95246158    -12.48123369
  H     17.22033592      4.83594183     -9.94647584
  H     18.82081861      4.40667797    -13.29112360
  O     14.67546349      7.57660101    -16.17555161
  H     18.61755511      5.22953863    -10.45901109
  H     14.46150453      4.44607484    -12.40060771
  O     12.27018917      9.08666563    -15.95320602
  H     11.09180356      3.50886966    -10.71344300
  H     13.65364951      5.70079588    -11.97610220
  O     11.38103721      6.74586558    -14.60823565
  H     12.24745802      4.43993759    -11.14550415
  H     16.28781406      3.54254255    -13.36381813
  O     15.63032402      8.20505316    -13.48217752
  H     17.78456097      7.67679135    -11.10076750
  H     16.04896955      4.80492562    -14.20337386
  O     13.22686622      7.25753103    -12.59067999
  H     16.41231992      7.15990698    -10.62187713
  H     20.31915199      7.07677691    -11.19894308
  O     11.62001370      6.58604802     -8.97547390
  H     14.46223210      9.89048487    -13.78525114
  H     19.39230015      6.28756240    -12.15317374
  O     19.16580056      5.26704987    -13.55955474
  H     13.16563521     10.24907361    -13.04903756
  H     10.01273286      7.83030217    -11.15763850
  O     13.89815435      4.80133509    -11.70114793
  H     17.89465111      3.42844405    -11.63382056
  H      9.31870895      8.88922692    -10.26728814
  O     15.59060861      4.06899787    -13.77654631
  H     18.18007211      2.07926306    -12.33614199
  H     15.12631335      6.14421207     -9.04546424
  O     19.41894454      6.78544424    -11.31657497
  H     15.03811871      7.91795291    -15.34826913
  H     15.00814291      5.34053133    -10.37493549
  O     10.16952743      8.51765993    -10.48437350
  H     13.86611496      8.08397503    -16.31645802
  H     14.48337793      8.62106110     -9.02730093
  O     15.63694015      5.73557987     -9.75520262
  H     12.69502861      9.59065947    -15.23613787
  H     15.50104508      9.00013350    -10.11985455
  O     14.67468109      9.27843531     -9.70789138
  H     11.85424823      9.72348016    -16.52820337
  H     11.72735046      9.41299002    -11.00373025
  O     12.56520305      9.67517284    -11.40324512
  H     11.53824519      7.54003739    -15.13408307
  H     13.26453903      9.63226871    -10.73145968
          69
 Energy    -248.90389503024289     
  O     11.59400882      8.41612678    -15.72773717
  H     11.48550221      9.34635085    -15.48803734
  H     17.87456653     10.91628746     -9.80177006
  O     15.89353860      8.30173661    -10.88648984
  H     11.66118946      7.93961443    -14.89155094
  H     16.12044856     10.91270130    -17.41510071
  O     16.25884994     11.93516159    -14.47700724
  H     16.36447090      9.12294269    -10.70381565
  H     14.86526623     10.18775902    -16.84839335
  O     14.08159646     10.40946108    -13.59900489
  H     16.40826395      7.86185332    -11.57243316
  H     11.39061702     11.65849586    -14.26093583
  O     13.04491728     14.24773159    -14.13623252
  H     16.90191017     11.31367942    -14.10401513
  H     12.12605974     11.74930755    -15.62897370
  O     13.08418695      8.36990672    -11.01630420
  H     16.02351306     11.64157181    -15.36608973
  H     15.38641301     13.18046975    -11.44811609
  O     16.69984554      7.70925563    -17.68150948
  H     13.30970504     10.61520277    -14.14363915
  H     14.46492062     12.13593266    -10.77085366
  O     12.91734738     11.21604015    -11.23416686
  H     14.79959146     11.00120940    -13.85173191
  H     12.38641832      7.52457830    -12.37427062
  O     18.48815930      6.85564605    -15.80812164
  H     13.92187497     14.31941560    -13.73817258
  H     11.65569854      6.26109254    -12.87842015
  O     17.24571215      7.49037537    -13.33944855
  H     13.17686407     13.89110870    -15.02265548
  H     12.98487121     13.22651014    -17.51627210
  O     19.14466654      9.63774995    -15.79111502
  H     12.88424755      9.30235234    -10.87797452
  H     13.98685751     12.27523339    -16.82759310
  O     17.38414617     10.77296089    -10.60685282
  H     14.04505698      8.28623506    -10.92388740
  H     17.89971361     10.43595091    -12.34816957
  O     15.28701765     11.05483671    -16.94776158
  H     17.04921579      8.56508162    -17.95669466
  H     17.72198103      9.22787235    -13.29547793
  O     11.74981791     11.13313930    -14.98790672
  H     15.77267163      7.86432096    -17.45790015
  H     15.93383069     13.41472904    -13.60461071
  O     15.34391480     12.53665864    -10.73223831
  H     12.21455749     11.76486558    -11.59975142
  H     16.34945853     14.82685817    -13.12496750
  O     12.10643913      7.04654126    -13.17674429
  H     13.38754335     10.85617099    -12.00428372
  H     14.50860403      8.21176210    -15.79066008
  O     13.23813669     12.87277052    -16.66668752
  H     17.81489865      7.06891377    -16.47857797
  H     13.23913014      8.46576995    -16.58681409
  O     17.97293037     10.16357867    -13.27181841
  H     18.94971752      6.08172718    -16.11984309
  H     11.80994180     13.41789487    -13.22579440
  O     15.65166995     14.17849830    -13.07107881
  H     16.31252363      7.50178415    -13.60858605
  H     10.40051402     13.37735472    -12.58455648
  O     14.20172204      8.52139211    -16.65572019
  H     17.73409938      7.14292715    -14.09467662
  H     18.36992137     10.68828783    -18.67245272
  O     11.14924429     12.83271241    -12.81207610
  H     18.90159035      9.93195644    -14.90435184
  H     18.30267146     10.18341262    -17.21086551
  O     17.76718928     10.38104681    -18.00093260
  H     19.07568072      8.67425464    -15.77513818
  H     13.84584678      7.29637999    -13.79631646
  O     14.65021661      7.76568199    -14.04780779
  H     16.65837239     11.42205791    -10.61249098
  H     14.50578660      8.68683784    -13.77711908
          69
 Ord_Energy   -248.903793    
 O   -2.32147646     -0.674174249       3.24014688    
 H   -2.18830156      -1.40865839       3.85113883    
 H   -3.06618571     -0.914515018       2.67069197    
 O   -8.66153431       7.62356669E-02   2.22105837    
 H   -8.81909275      0.578158617       3.02952027    
 H   -8.70214462     -0.852581143       2.48975992    
 O   -5.86950493       3.59433842       6.21897697    
 H   -4.91680288       3.64778280       6.37229395    
 H   -5.95930099       3.18726516       5.34783506    
 O   -6.62519455      -5.45130730       4.98885536    
 H   -5.73039913      -5.11157179       4.84789562    
 H   -7.06419897      -5.38762283       4.13257217    
 O   -6.25562716      -1.89128327       7.08501244    
 H   -6.68117094      -2.74826145       7.21330833    
 H   -6.94705915      -1.21468890       7.12308693    
 O   -8.58571911      -2.44343233       3.35688281    
 H   -9.00447178      -2.50151014       4.22913504    
 H   -8.41775227      -3.33328128       3.02476668    
 O   -3.99741244       1.33177900       8.56105900    
 H   -4.94454575       1.51404250       8.58004761    
 H   -3.60669780       2.03492045       8.02741718    
 O   -5.21234798      -3.95521522       1.67754781    
 H   -4.72520733      -4.15991402       2.48727489    
 H   -5.06311321      -3.01216769       1.53222394    
 O   -7.66571045      -4.91048956       2.37253118    
 H   -6.81179762      -4.58184195       2.03774452    
 H   -8.00016880      -5.52018213       1.72031999    
 O   -3.63070321      0.928205550       5.00804758    
 H   -3.10709906      0.488227993       4.32252216    
 H   -3.74806142      0.283923268       5.71782637    
 O   -4.77410603      -1.16105103       1.94615543    
 H   -5.19543934      -1.31374931       2.80716014    
 H   -5.23122931     -0.405766904       1.55990028    
 O   -6.04537678      -1.81014478       4.30267572    
 H   -6.11568213      -1.76673400       5.26330805    
 H   -6.92915726      -2.01223397       3.96481037    
 O   -4.31859446      -4.01613808       4.34962654    
 H   -3.50291872      -3.66743183       4.72547102    
 H   -4.93492937      -3.26790857       4.31586313    
 O   -6.35425806       1.07947564       1.24387407    
 H   -7.21026373      0.692698181       1.50635719    
 H   -6.49167347       1.51687431      0.408265859    
 O   -3.68679547     -0.967844486       7.09542513    
 H   -3.67737794     -0.232665628       7.72517920    
 H   -4.56545401      -1.37034118       7.15789700    
 O   -8.22217464       4.17474583E-02   7.00030756    
 H   -7.80355692      0.705010831       7.56497335    
 H   -8.39525604      0.491888702       6.16196203    
 O   -3.08954215       3.14926958       6.52893209    
 H   -3.19164586       2.39687824       5.91992998    
 H   -2.25673223       3.56283855       6.31808758    
 O   -6.79702520       2.09726310       8.30821228    
 H   -7.11988306       2.68093848       8.99104786    
 H   -6.52783585       2.66231871       7.56248331    
 O   -5.95575857       1.97621107       3.89444089    
 H   -5.17229795       1.53602874       4.25394964    
 H   -5.99307966       1.77057707       2.95242739    
 O   -8.55032730       1.54954815       4.66595507    
 H   -7.61893511       1.67386615       4.41465569    
 H   -8.93059540       2.42192197       4.74689674    
 O   -9.45213604      -2.41589999       5.97045040    
 H   -8.96615028      -3.11040044       6.43384123    
 H   -9.21941757      -1.59202635       6.41332912    
 O   -2.16104722      -2.56636143       5.44908094    
 H   -2.63898396      -2.01402950       6.09079981    
 H   -1.34008455      -2.81821823       5.86486864    
 O   -7.68232346      -4.29839754       7.18299150    
 H   -7.83807087      -4.95831156       7.85275841    
 H   -7.32414865      -4.76401854       6.40564060    
          69
 Energy    -248.90326197750932     
  O     12.08781946      9.63711938    -12.92390801
  H     12.38439532     10.41388228    -13.41490173
  H     15.55729748      7.30202211    -17.63186804
  O     14.47100791      6.69907134    -14.86235836
  H     12.01731442      8.92176908    -13.57501979
  H     19.27613280      7.16521640    -16.32518593
  O     16.08762667     11.22401276    -10.17555938
  H     14.93781261      6.51584158    -15.68852439
  H     18.29526398      7.26344256    -15.13622408
  O     17.07282009      9.95071803    -16.68930945
  H     14.90978163      7.45114544    -14.43996937
  H     14.22642456     11.53409542    -14.55413611
  O     11.90342583      7.60903071    -14.80103798
  H     15.38868089     10.64640062    -10.52779130
  H     13.05632487     12.53026416    -14.71675420
  O     16.35009707      6.45252656     -9.69572281
  H     15.67292370     11.80997333     -9.54784926
  H     15.31173758      8.90965002    -12.63976100
  O     14.13802999      5.34201913    -12.49031748
  H     16.36028030      9.66295504    -17.27527419
  H     15.84169471      9.56183149    -13.93869235
  O     14.28480718      9.46440780    -11.22795393
  H     17.59764013      9.16427433    -16.50157247
  H     10.21288481      8.25471167    -10.55069801
  O     14.88462252      8.97162365    -18.20855333
  H     12.80858290      7.28538093    -14.93357243
  H     11.28484819      8.61612513    -11.60062970
  O     16.92143997      4.95693104    -11.84307514
  H     11.47404988      6.93086906    -14.26282185
  H     18.91964336      8.36448307    -12.53605452
  O     15.95025064     11.26413844    -14.59614906
  H     16.81405617      7.30072487     -9.63155146
  H     20.26060748      9.01733156    -12.13001792
  O     15.91291472      6.52601749    -17.17824295
  H     15.40543001      6.64043227     -9.65964212
  H     12.13722072      5.40094486    -12.68499925
  O     18.40122363      7.45779353    -16.08093946
  H     14.21285095      5.74737654    -13.36751611
  H     11.06517357      6.35662679    -12.12959734
  O     13.25606323     11.61265112    -14.54888301
  H     15.02893541      5.04248995    -12.27598905
  H     18.31175979     10.74179627    -12.41317686
  O     15.73992325      8.71720685    -13.48250543
  H     14.14552360      8.61022286    -10.79554307
  H     17.19400841     11.51159888    -11.68872795
  O     11.01420011      7.93825275    -10.96119289
  H     13.52165891      9.60975755    -11.80298137
  H     17.14975764      7.68337164    -13.38789048
  O     19.31367606      9.11943968    -12.07087132
  H     14.62259964      9.16128221    -19.10565138
  H     17.65985090      6.29933821    -12.90407819
  O     11.24975032      5.74242987    -12.84999742
  H     14.12173220      9.18950890    -17.64485237
  H     18.31131448      8.95507233    -10.44883355
  O     17.70110382     11.48195623    -12.51015033
  H     17.29709864      4.12110304    -11.57973057
  H     17.17814280      9.71011988     -9.74288866
  O     17.92699489      7.10088849    -13.37040587
  H     16.76940244      5.46798657    -11.02531690
  H     12.33686464      8.91538124    -16.09394768
  O     17.66997630      8.88100874     -9.73230553
  H     16.60944627     11.46141236    -13.91359968
  H     12.91919310     10.33671403    -15.96022688
  O     12.80274314      9.60802257    -16.58015378
  H     16.40429772     10.92104298    -15.38152259
  H     12.67457673      7.21198555    -10.32312669
  O     13.60737150      6.96899484    -10.29070558
  H     16.80446959      6.76619449    -16.89801043
  H     13.76705705      6.38797275    -11.05103802
          69
 Energy    -248.90317584450457     
  O     20.34386797     11.75470740    -17.90575343
  H     19.92146227     12.59227744    -18.14119584
  H     19.95301583     15.66364071    -18.40068943
  O     18.15501888     18.32777728    -14.46590071
  H     21.09438010     12.00432213    -17.35317814
  H     14.75853878     13.18060172    -12.87687075
  O     22.22503034     12.80062923    -15.99497222
  H     18.12946755     19.27748841    -14.38788693
  H     14.55119920     11.82360778    -13.61095725
  O     14.73217361     15.04799011    -13.09074024
  H     18.10473451     18.12550036    -15.41863525
  H     21.51454824     15.90783442    -16.86568726
  O     15.88371779     12.22300521    -16.90223282
  H     22.14065541     13.76954298    -16.04407629
  H     21.42431913     15.86986726    -15.32800166
  O     16.95336259     10.90706713    -11.78714199
  H     23.14997982     12.61372925    -15.85902704
  H     18.34248591     12.15414083    -11.79906243
  O     14.41947396     10.61041447    -15.14998283
  H     13.96419373     15.57023575    -12.87432574
  H     19.46564610     12.52516316    -12.78164353
  O     18.99253888     14.20579935    -18.17685047
  H     15.51083965     15.58394729    -12.85290712
  H     17.41587646      9.85736375    -14.95813776
  O     16.92312558     16.53093108    -12.61674626
  H     15.85830534     13.06349595    -16.41790907
  H     16.98907970      9.94087328    -13.46551169
  O     19.94526047     12.18487516    -14.47768033
  H     15.29051091     11.62625194    -16.43003389
  H     15.85864277     15.70314524    -17.08997425
  O     16.47366278     13.54912197    -19.23355667
  H     16.17228438     11.40993374    -12.08108485
  H     16.08300194     15.40247255    -18.56962420
  O     20.44834219     16.49934025    -18.34032704
  H     16.68977138     10.42357036    -11.00815976
  H     19.58579480     17.18134736    -14.19056540
  O     14.80498051     12.22279392    -12.77081502
  H     15.21947626     10.14276158    -14.84556971
  H     19.99954912     16.07209602    -13.18851138
  O     21.89889372     15.49601439    -16.08282439
  H     13.72871071      9.95708510    -15.21903075
  H     17.40866490     17.20563846    -17.44613914
  O     19.06394645     12.77818436    -11.93814927
  H     18.82985823     14.30715385    -17.22668358
  H     18.94751671     17.39372768    -17.51699295
  O     16.76322305      9.54567230    -14.31649501
  H     18.14590335     14.02450460    -18.60252930
  H     19.69672179     15.56573504    -10.72218035
  O     16.02858487     16.13010192    -17.94225492
  H     17.70069121     16.14277433    -12.19689399
  H     19.21872404     14.45411038    -11.68549752
  O     20.16604447     16.41705785    -14.07592932
  H     17.25365604     17.17358778    -13.25616885
  H     17.52786132     11.34485852    -16.54435947
  O     18.15230084     17.69575641    -17.06616556
  H     19.40035171     11.62093053    -15.04478939
  H     19.00186665     11.02040286    -16.93400839
  O     19.32789794     15.41805018    -11.58861300
  H     20.78597529     12.33091248    -14.92997708
  H     19.12254246     15.19899526    -15.02398377
  O     18.31240325     10.85025896    -16.27476420
  H     16.21178267     13.08943647    -20.02699311
  H     19.02621865     13.65675023    -15.05256325
  O     18.63303801     14.46320691    -15.41048625
  H     16.19373170     12.99566733    -18.48475344
  H     15.44820592     14.78960638    -14.76252109
  O     15.90563249     14.62118633    -15.59305557
  H     20.76324538     16.69713506    -19.21880206
  H     16.85922061     14.62979392    -15.41650896
          69
 Energy    -248.90305620167595     
  O      1.26530899      0.09253172      5.22260929
  H      0.53858278     -0.47458183      5.53603999
  H     -2.41397130      2.67134843     -0.33546417
  O      1.92231363     -1.47653923     -2.56621177
  H      1.87952686      0.17314686      5.94866489
  H     -2.29009126      0.46454497      4.06175610
  O     -0.88675512     -1.36107933      6.00020679
  H      1.66696024     -2.34848312     -2.23950055
  H     -2.68649396      1.46888335      5.16181164
  O     -0.03587139     -0.00693382     -1.14954099
  H      1.21438759     -0.88502765     -2.27710546
  H      0.80550901      1.96690667      1.31906749
  O      1.10355950     -3.78723307     -1.07061437
  H     -1.51638418     -0.65294173      5.79310473
  H      0.19016566      2.63471297      2.59292534
  O      2.89977656     -2.77362758      0.70957389
  H     -1.28691583     -2.15922940      5.64132406
  H     -2.37677141      1.56346696     -2.68801484
  O     -4.04069285      2.73973364      2.68071495
  H      0.61611570      0.28679419     -0.49927190
  H     -1.42946315      0.96282067     -1.62120623
  O      0.21187116      2.68313824      4.35512384
  H     -0.43073960     -0.81955771     -0.80184551
  H     -1.06286303      1.02134060      2.13345903
  O      3.90561637     -0.61602506     -0.89757817
  H      1.27817556     -4.71295529     -1.21824320
  H     -2.25263302      0.17164759      1.61405970
  O     -5.24500884      0.12026152      1.94428052
  H      1.73423388     -3.48869860     -0.39030920
  H     -0.50743046     -2.95376284     -0.58121572
  O     -4.36735467     -1.45232433      4.17612244
  H      3.39602508     -2.10187789      0.22564230
  H     -1.05017246     -2.44790454      0.77298009
  O     -2.40203883      3.14770494      0.50082516
  H      2.59791231     -2.34259479      1.51949341
  H      1.69327124     -0.76406388      3.61418906
  O     -2.60371747      0.52658963      4.97733500
  H     -4.48482970      1.90238884      2.51944539
  H      0.88079570     -1.71606748      2.70966070
  O      0.02726455      2.42352785      1.66009849
  H     -3.52503629      2.93604440      1.88272651
  H     -3.11733601      3.14820271      4.09515567
  O     -2.30332944      1.36930607     -1.75743054
  H      0.47094019      1.82930515      4.72068188
  H     -2.90026845      4.07926463      5.31074758
  O     -1.64411630      0.28187780      2.35365766
  H     -0.69024239      2.86801197      4.64427655
  H      2.71154539      0.36144451      0.19785872
  O     -1.17195719     -2.37541990     -0.18632171
  H      4.72493395     -0.40458512     -1.33630433
  H      1.86944553      0.00983842      1.45073961
  O      1.72014196     -1.23703354      2.77344747
  H      3.28084412     -0.90369060     -1.58677005
  H     -3.19580404     -2.73549776      4.39315452
  O     -2.57937176      3.28276727      4.89770826
  H     -4.63164716     -0.14025735      1.23801944
  H     -2.81111345     -4.16727229      4.83355354
  O      1.94416622      0.63460495      0.71427721
  H     -6.11052715      0.17508076      1.54495632
  H     -1.09771838     -1.37774112      2.55075617
  O     -2.44487558     -3.34096349      4.53124144
  H     -3.88601839     -0.73709797      4.61731777
  H     -1.33008642     -2.77710180      3.19240852
  O     -0.81025682     -2.30556710      2.53079861
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  H     -2.71436083     -1.24946378     -0.05615060
  O     -3.27365535     -0.48096995      0.11542619
  H     -1.50885081      3.03187142      0.85642851
  H     -3.07555858      0.17074811     -0.57065541
          69
 Energy    -248.90289081021530     
  O     16.95825427     11.10453062    -16.30817697
  H     17.11111164     10.42383031    -16.97178934
  H     19.37396321      5.95154811    -14.57596530
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  H     16.97373416      8.16056610    -16.05337988
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  H     14.15359487     10.40626132    -14.70817626
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  H     17.06918689      5.37849068    -17.87372008
  H     13.54551031     11.51522413    -15.59151795
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  H     14.01063954      4.40529551     -9.50256005
  O     12.54362631      6.82544529    -11.07275229
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  H     13.63722437      5.63862167    -10.36143563
  O     20.21510014      9.11180573    -14.56267742
  H     13.74156150      9.85167094     -9.62504455
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  H     14.46730595      6.31117078    -13.25021922
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  H     21.15560836      6.66955360    -12.83415547
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  H     12.82653064      7.69882244    -10.77660450
  H     14.01731237      9.59739254    -12.19043546
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  H     19.73623751      9.92256135    -14.36261409
  H     14.01814516      8.59389056    -13.36774219
  O     15.87442838      7.51457317     -9.73111479
  H     20.19683118      9.02047833    -15.52595825
  H     18.81006514     12.29205318    -14.02168184
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  H     15.95916948      4.01809657    -16.38091407
  H     18.00510119     11.35626529    -14.95799997
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  H     17.41001006      7.72576369    -18.01062450
  O     17.21431693      8.66670730    -17.86613155
  H     18.03739027      6.39223393    -15.19911218
  H     16.25919797      8.78414248    -17.98698482
          69
 Energy    -248.90286742719911     
  O     13.11622405      9.06290949    -16.78847410
  H     12.78302597      8.97842612    -15.87701670
  H     19.99491713      7.57343738    -12.19361615
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  H     16.77390201      9.58761613    -17.67745988
  O     20.24122984     10.73569808    -12.26033607
  H     16.69212410      5.27485619    -12.97438494
  H     18.28867486      9.30088897    -17.78496515
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  H     16.12540061      7.55600314    -15.31360428
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  H     20.75785701     11.26576116    -11.65873735
  H     12.27873312      7.88634344    -13.82554208
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  H     20.62836603     10.17239399    -17.22263492
  H     12.83701787      9.30127537    -13.58303188
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  H     18.35105240      8.29682392    -11.18363108
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  H     14.86727940      4.48450186    -14.48521362
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  H     12.98489228      5.71978307    -13.54819100
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  H     13.69063722      6.96389717    -11.82236135
  H     11.66901922      5.65121489    -12.73424712
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  H     17.12637102      9.78737355    -10.71013924
  O     12.34817003      8.76538979    -14.21852387
  H     17.62106894      5.45050574    -17.04861061
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  O     18.55746525      7.38542250    -10.93506104
  H     18.63176555      5.80506460    -15.94595338
  H     17.04340999      7.37973156    -18.37556712
  O     12.40840109      6.21694636    -12.93838352
  H     15.54433514      8.15135566    -10.05597430
  H     16.78335786      6.22979751    -19.38058113
  O     18.94289267     11.18663531    -14.74775505
  H     17.01803074      7.99913593     -9.66213987
  H     14.23055057      9.08813614    -11.96393503
  O     17.72344761     10.12404195    -11.39318526
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  H     13.78078168     10.49674713    -11.51183348
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  H     15.74061090     10.66864826    -15.77743452
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  H     16.98401793      2.99717941    -14.15498413
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  H     14.25997768      7.61233141    -16.70822189
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  H     15.41353538      6.69862567    -17.24939808
          69
 Energy    -248.90266178855353     
  O     15.09433192      9.58988884    -10.40607987
  H     14.68662584     10.18700850    -11.04831937
  H     14.05203502      7.34102832     -8.82264389
  O     16.70212619     10.77936234    -13.65763150
  H     14.39549759      9.15409844     -9.90222184
  H     17.89400717      6.30527541    -15.30171931
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  H     17.39684732     10.77138448    -12.99070741
  H     18.99695381      6.86655770    -16.22915911
  O     18.14528887      7.13652711     -8.59061705
  H     15.85719527     10.85341973    -13.19833052
  H     13.98242535     12.06370712    -15.44746778
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  H     14.20066469     13.47964000    -14.89895540
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  H     12.28647336      3.83060573    -12.13374034
  H     11.69756357      9.15610267    -14.08905770
  O     18.57628346      7.84471323    -12.87714704
  H     18.02148398      8.05585929     -8.88896442
  H     13.07888029      8.48889131    -13.87542181
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  H     15.68249618      8.19410770    -11.46265472
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  H     15.41100474      5.71119843     -9.42844977
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  H     17.64975135      7.73570021    -12.60736940
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  H     18.91874716      9.46588642    -12.28013953
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  H     18.78698874      6.24286211    -10.12776399
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  H     19.05941172      6.55655316    -11.61669947
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  H     14.35264006      5.94052795    -14.75128339
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  O     19.08529129      5.85027970    -10.95746254
  H     13.86211247      4.71130296    -13.97131354
  H     16.77397882      9.71708661     -9.72146339
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  H     18.30588109      4.48671164    -11.67249639
  H     18.19908836      9.98625270    -10.24294087
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  H     16.62259964      9.79273034    -15.08555738
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  H     12.83299928      8.06857105     -8.20177453
  H     17.12261529      8.53812302    -15.87120320
          69
 Energy    -248.90248799261838     
  O      0.90355843     -0.41459036      4.76488279
  H      0.09801299     -0.92518651      4.96563577
  H     -1.14513404      4.44867122      2.21939732
  O      1.98370346     -0.46038150     -2.69881626
  H      1.34705273     -0.27121634      5.59692401
  H     -2.76878724     -0.03263791      3.75062389
  O     -1.38057864     -1.75883332      5.28569941
  H      1.22477645     -0.01325567     -2.30054068
  H     -3.37534882      1.14549599      4.51894787
  O     -0.08432385      0.45455017     -0.98381814
  H      1.78438090     -1.40303903     -2.64079111
  H      0.88158248      1.37416099      2.17264493
  O      1.38956084     -3.17821295     -1.96828838
  H     -1.73867321     -2.52100183      4.81727467
  H      0.41245914      0.99983570      3.60197150
  O      3.09412717     -2.63158013      0.08120714
  H     -2.07033586     -1.07889371      5.25537452
  H     -1.30120869      1.83342313     -0.75173554
  O     -3.73495726      2.77430672      3.74686239
  H      0.58991859      0.50371338     -0.29216666
  H     -1.80867965      2.89034095      0.27358162
  O     -4.34833704     -2.81689707      2.01783838
  H     -0.47999791     -0.42491165     -0.92512037
  H     -1.23768469      0.52447112      2.25761791
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  H      1.63990823     -3.99172799     -2.39807691
  H     -2.59324845      0.21145950      1.52807876
  O     -5.77718474      1.77220046      2.00709194
  H      1.99837885     -3.05876948     -1.21715225
  H     -0.25706304     -2.62490884     -1.32400420
  O     -5.55610303     -0.74562825      3.37828036
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  H     -0.91128509     -2.46818432      0.07713851
  O     -1.48880787      3.57266065      2.05698253
  H      3.54486921     -1.81846911     -0.17878209
  H      0.88182389     -2.18466381      2.20919421
  O     -3.18323159      0.20042904      4.59489057
  H     -4.48694936      2.54701772      3.18415668
  H      1.62531605     -1.39298581      3.30132178
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  H     -3.04714407      3.10104164      3.15634710
  H      2.71266814      0.50294368      0.39574936
  O     -2.03991726      2.42038300     -0.53677311
  H     -4.18891798     -2.52851360      1.11511054
  H      1.89336837     -0.28500839      1.44954184
  O     -1.91630754     -0.14652496      2.11581579
  H     -4.85500931     -2.11459701      2.45478908
  H     -3.19933637     -3.52346258      3.08732673
  O     -1.00773644     -2.23514211     -0.85960053
  H      4.76289257      0.30368752     -1.24456536
  H     -2.77057407     -4.72822566      3.95823606
  O      1.74161430     -1.79621771      2.43252961
  H      3.32861367     -0.15204860     -1.61101030
  H     -1.27651685     -3.22002064      2.41924232
  O      1.93583499      0.55354576      0.96520983
  H     -5.15645211      1.39970653      1.35610601
  H     -1.22528293     -1.74294222      1.96241155
  O     -2.47979406     -3.87710274      3.64351388
  H     -6.47336256      2.19564191      1.51189980
  H     -2.78751619     -2.04987891     -0.86165720
  O     -0.80738760     -2.61167365      1.83630579
  H     -4.83564075     -0.49259850      3.97095048
  H     -4.18895246     -2.33167599     -1.44631983
  O     -3.73680839     -1.89384013     -0.72883781
  H     -5.81815852      0.07492021      2.94592035
  H     -3.33227774      1.32374565     -0.11508327
  O     -3.93183849      0.69952621      0.32436095
  H     -0.83751666      2.94884808      2.41792346
  H     -3.92630167     -0.14041475     -0.14943302
          69
 Energy    -248.90238386749792     
  O     18.35613239      8.73189045     -9.95052103
  H     18.83710692      9.18635100     -9.24958315
  H     18.81762966     10.95880886     -8.21080743
  O     14.33250757      8.46636372     -9.10717251
  H     17.54666194      9.23597483    -10.11570966
  H     18.91999347      8.54752767    -12.95517408
  O     19.99103610      3.39447998    -12.31115013
  H     14.98178906      7.97033649     -8.57699701
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          69
 Energy    -248.90235069495498     
  O      0.80650135      0.35096741      2.49567661
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          69
 Energy    -248.90234202735610     
  O      3.35701350      4.98888988      4.79550645
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  H     -2.91038846      6.47728768      1.20074382
          69
 Energy    -248.90129730828610     
  O     15.71815056     11.94063484    -14.02493967
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  H     14.96977133      8.33060108     -7.04610177
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  H     18.08721269      7.44576930    -14.33889465
  H     16.85679817     10.06049050    -16.32974542
  O     14.89968187      8.10972154     -7.97064163
  H     18.08827794      5.95580704    -13.93894780
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  O     13.36003984     10.27373190    -11.57783767
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  O     15.69750242      8.83510320    -16.88497842
  H     18.70874937      5.91587987    -11.91600037
  H     16.05928772      7.94752047    -17.01793044
          69
 Energy    -248.90122529254066     
  O     10.79378674     10.00427206    -13.91919580
  H     10.61819243      9.22214954    -14.45614434
  H     17.46453009      6.54138847    -15.54403865
  O     14.63744201      6.31287382    -14.42746187
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  H     16.21695943     11.54754167    -16.07335367
  O     16.84007707     11.49547772    -11.11252415
  H     15.44990960      5.97409846    -14.81985934
  H     15.41048282     12.53418666    -16.94807779
  O     17.38904908      8.27331976    -15.89491924
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  H     15.46723975      7.81653227    -13.70847092
  O     15.56688148      7.93300362     -9.23664169
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  H      9.89690577      9.54887102    -10.90805014
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  H     10.67157199      9.52368362    -12.24775181
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  H     10.70905528      7.35047862    -12.10427409
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  H     15.70822136      7.04128768     -9.57552332
  H     19.86459651     11.50556513    -12.81524069
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  H     14.14925670      9.90866066    -11.68536414
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  H     16.95395185      8.95483557     -9.21430781
  O     10.89809302      6.57126221    -12.64203793
  H     14.53627629      8.63754416    -17.16660611
  H     18.01746036      9.67991045     -8.35818054
  O     19.02696899     11.05837623    -12.91186574
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  H     13.39232399      7.72705356    -11.19716165
  O     17.68038025      6.47639880    -12.46400156
  H     16.36336659      4.63408063    -10.15612044
  H     12.36878946      8.83106967    -10.83408629
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  H     13.81096850     10.65888473    -13.87602607
  O     13.30029768      8.58753321    -10.76325422
  H     18.18090791     11.10993666    -14.57423837
  H     14.00194609     11.09535379    -15.35396069
  O     13.40503194     10.62962038    -14.75582858
  H     17.88329715     10.13506825    -15.72684540
  H      9.84996492      7.00111675    -15.61199947
  O     10.59548619      7.43241667    -15.20351743
  H     17.71471924      5.04530067    -15.84241122
  H     10.69262609      7.04548552    -14.31488743
          69
 Energy    -248.90121168405369     
  O     11.85236437     11.00237218    -10.68061497
  H     10.91507350     10.86638930    -10.55902556
  H     15.55657759      6.26651547    -18.07765307
  O     14.16604710      7.32121780    -15.41114679
  H     12.27177032     10.16467642    -10.43045270
  H     18.83484475      7.45168493    -16.00815789
  O     17.83560723      9.96475086    -10.67983826
  H     13.71569237      6.61941028    -14.92470243
  H     17.64189410      7.35987310    -17.01035318
  O     18.26826786     10.34495179    -17.53739789
  H     14.79298751      7.75290219    -14.80714495
  H     14.60360628     12.26995896    -14.16062032
  O     12.62472683      9.63417367    -14.92984235
  H     16.91315145     10.07086042    -10.97030954
  H     14.66803965     12.11830590    -15.68487547
  O     14.79616060      6.39178416     -9.54606737
  H     18.02027569     10.68942193    -10.08750049
  H     16.45933223      9.28156048    -14.28615987
  O     12.84925500      5.44836231    -13.82561167
  H     18.44755751      9.40693266    -17.33860251
  H     15.63447670      9.03564640    -13.00080118
  O     15.23914715     10.02989121    -11.53132784
  H     19.02271560     10.67922475    -18.01371957
  H     18.12519420      6.39750044    -13.37590591
  O     15.54706385      9.79193354    -18.11037586
  H     12.79775369     10.24493736    -15.65835802
  H     16.79715546      7.15231564    -13.23769858
  O     14.88525914      5.12366468    -12.11534750
  H     13.11765760      8.83374999    -15.15668654
  H     12.11757265      7.04070826    -13.09995816
  O     17.37979029     10.72943011    -14.89760423
  H     14.82287944      5.91754220     -8.71917358
  H     11.97499111      8.53742814    -13.45539906
  O     15.83457572      6.99492108    -17.52809558
  H     15.70217081      6.70880090     -9.71639285
  H     18.84211606      9.67609918    -12.27891415
  O     18.51314492      7.74998125    -16.86698893
  H     12.38460316      4.62578923    -13.94887172
  H     18.65918707     10.07444929    -13.75439662
  O     15.19354422     12.37813231    -14.91828355
  H     13.57318408      5.27490893    -13.19556347
  H     20.51862613      6.87227565    -14.22184857
  O     15.93822415      8.61642874    -13.81602436
  H     14.71454331     10.67735439    -12.02183328
  H     19.51291686      7.99510975    -13.87230557
  O     17.27048012      6.36318489    -12.93199655
  H     14.60405468      9.48263259    -11.04922137
  H     17.39277429      6.86581995    -11.13708156
  O     11.90994469      7.90691153    -12.72849447
  H     16.45649659     10.09974870    -18.00948092
  H     17.55648980      8.13580137    -10.27899237
  O     19.21336089      9.54931606    -13.15945833
  H     15.58908357      8.83379721    -18.01161528
  H     14.25517170     10.74029142    -17.43751354
  O     19.60127403      7.12137975    -14.29659167
  H     15.75363153      5.40726025    -12.43187653
  H     13.14308202     11.77845861    -17.71396781
  O     17.27108441      7.21544285    -10.24387588
  H     14.79456788      5.47406460    -11.22147028
  H     13.64392081      7.77841311    -10.03698746
  O     13.56297439     11.28127043    -17.01705680
  H     17.70438792     10.68631086    -15.80465534
  H     12.72538778      8.26369906    -11.20826928
  O     13.19446975      8.54742730    -10.40562613
  H     16.66756672     11.38602412    -14.87377146
  H     12.78136858     11.47152868    -12.19707332
  O     13.39242532     11.50550689    -12.94622342
  H     15.20133031      7.05012945    -16.79222961
  H     13.09142453     10.85023954    -13.59170889
          69
 Energy    -248.90112567630985     
  O     19.93849955      9.13444636    -14.70802037
  H     19.75048990      9.70104561    -13.95109027
  H     20.34394188      5.11345945    -13.07724408
  O     15.20174290      8.76943552    -10.56279908
  H     19.14317862      9.12403966    -15.25521498
  H     14.90518787      7.97008593    -14.67001405
  O     12.67485334      9.74155076    -14.07321279
  H     14.33441722      9.17471033    -10.68584489
  H     15.79429206      9.10007765    -14.06113798
  O     17.58051111      8.80245142    -16.38007875
  H     15.75507471      9.04764362    -11.30927278
  H     17.89635294      6.43235136    -11.76550025
  O     11.42310132      7.34205797    -14.40785368
  H     12.73856867      9.87371509    -13.11976139
  H     18.64785683      6.68009960    -13.12331928
  O     17.96909350      5.94421782     -9.91581045
  H     13.57575986      9.60657826    -14.39510272
  H     14.15284196      6.30311674    -13.25771895
  O     14.29435436      6.20462280    -11.47647488
  H     16.72949193      8.83462115    -15.91562757
  H     13.14025681      6.56091944    -14.40418376
  O     20.72773342      6.13210651    -10.20938855
  H     17.46219099      9.28714573    -17.19424262
  H     16.49529149      8.59654033     -9.37010969
  O     16.05753302      4.18814771    -10.86915769
  H     11.78804460      8.24410680    -14.35687383
  H     17.06545050      8.69310788     -7.93576471
  O     17.76944479      3.12897443    -12.95664559
  H     10.70716518      7.36727052    -15.03638827
  H     12.02615679     10.28111023    -10.70164491
  O     20.06768152      6.43543739    -14.27382409
  H     17.69997591      6.73947902     -9.43974310
  H     12.21994643      8.84661683    -11.25061257
  O     20.25806378      4.51965281    -12.31552512
  H     18.93363793      5.90661013     -9.87712573
  H     18.95374539      8.77425587     -9.76101157
  O     15.27208638      8.84975913    -14.83870985
  H     14.84813035      5.44482403    -11.24376530
  H     20.15548749      7.98641763    -10.32793862
  O     17.80637749      6.78804765    -12.65724311
  H     14.69321568      6.99631034    -11.09702900
  H     19.70005629     11.45055603    -12.11071016
  O     14.06979146      6.38358160    -14.22114413
  H     20.63262278      5.52817510    -10.96891216
  H     19.54006800      9.99479388    -11.60977634
  O     17.28600308      8.43629909     -8.82757154
  H     21.51448091      5.86162932     -9.74394244
  H     15.57632343      5.37001929    -14.50145266
  O     12.63980059      9.72290299    -11.17213956
  H     16.55598624      3.68892457    -11.52507044
  H     16.89886369      5.70479439    -13.78310008
  O     19.74409565      8.85849793    -10.30794484
  H     16.72193316      4.70574179    -10.39156683
  H     18.06290855      6.92290523    -16.47355277
  O     19.30804135     10.60966226    -12.32928149
  H     17.76330284      2.26525351    -13.36292995
  H     17.61337552      5.59326911    -15.83928610
  O     16.49377209      5.08481370    -14.41020199
  H     17.29750384      3.72228896    -13.56482021
  H     11.44226041      7.13843553    -12.48640735
  O     18.31817274      5.99873392    -16.36196793
  H     20.22255810      7.38472414    -14.38265899
  H     12.48744872      6.70109271    -11.43609128
  O     11.67724609      7.21746422    -11.55358798
  H     19.57969454      6.15639987    -15.06268705
  H     17.61553781      9.91991462    -12.57147814
  O     16.86005861      9.32693441    -12.65512022
  H     19.46747551      3.99167689    -12.47204364
  H     17.21809810      8.42344068    -12.68030317
          69
 Energy    -248.90093454113810     
  O     12.44536937     11.08565235    -15.57157678
  H     11.91472262     10.47123133    -15.04954750
  H     16.41411873      6.85788887    -15.78797883
  O     15.99744741      6.60443367    -14.06821114
  H     12.91404119     11.65841288    -14.95351144
  H     19.55810898      8.58089444    -14.20613436
  O     16.34135423      9.57736700    -10.73628216
  H     16.59703416      6.80114323    -13.33469377
  H     20.70967203      8.56884648    -13.17665015
  O     16.57496647     11.46495448    -14.38961126
  H     15.14959787      6.33048414    -13.69110436
  H     14.67027164      9.29594308    -15.24025416
  O     13.94392682      6.95974310    -17.60795497
  H     16.05186605      9.16262665     -9.91383730
  H     15.36162559      8.29050244    -14.26554258
  O     12.99750872      7.13349716     -9.50063187
  H     15.55011062      9.94244935    -11.15560924
  H      9.98235856      8.95825659    -14.50708490
  O     13.50860102      6.12395516    -12.97202324
  H     17.23527102     11.42369609    -13.68243250
  H     11.33439053      8.24652898    -14.74940844
  O     14.08623219     10.44863177    -12.12727740
  H     16.10441522     10.61752025    -14.36416913
  H     16.92825363      6.24498441    -10.67480986
  O     17.03401580     10.08244495    -16.78890521
  H     14.88275866      6.93401614    -17.35635003
  H     16.15235137      6.56038817     -9.38410712
  O     14.02113370      4.69103011    -10.63047967
  H     13.86870218      6.48877051    -18.43407979
  H     12.77085445      6.81962054    -16.13196093
  O     19.09540904      8.40951024    -15.89671551
  H     12.59462665      7.59334014    -10.24911705
  H     12.64872267      6.44086701    -14.63125322
  O     16.53795337      7.14458456    -16.70695770
  H     13.19868473      6.24230923     -9.81143340
  H     18.86908087     10.23632135    -12.59788102
  O     19.76355049      8.65887638    -13.25874869
  H     13.12027070      6.92731159    -12.59758349
  H     17.70569426     10.57088415    -11.64013634
  O     14.99053679      9.17730395    -14.33765773
  H     13.62876664      5.51081670    -12.23591649
  H     18.41320149      7.75157989    -12.36610538
  O     10.91336352      9.00448576    -14.30379103
  H     13.99397953     11.34690241    -12.46214826
  H     17.14477694      8.17742390    -11.57978341
  O     16.39019316      5.84054997     -9.98187069
  H     14.34926679      9.92033009    -12.90128578
  H     15.29111113      8.27629341     -7.61952055
  O     12.18861211      6.86857122    -15.36516794
  H     17.04156143     10.71295201    -16.05572520
  H     14.46756868      7.81412045     -8.84558891
  O     18.28618010     10.95049696    -12.31281430
  H     16.11187966     10.06184226    -17.08275218
  H     11.65711823      8.61357591    -12.62782662
  O     17.59415783      7.41808948    -11.97999157
  H     14.91015367      5.02576850    -10.41312984
  H     12.84751123      9.17662814    -11.83193507
  O     15.35070344      8.10568428     -8.55563348
  H     13.98513775      3.78667343    -10.33176769
  H     14.18377210     13.65341500    -13.83639556
  O     12.25058315      8.41679763    -11.89250681
  H     18.56413178      9.12959221    -16.26605141
  H     15.04635982     12.39573291    -14.07799169
  O     14.15474283     12.69999468    -13.83765689
  H     18.65885359      7.61087003    -16.20446663
  H     13.55144143     10.23650649    -16.67408908
  O     14.29073019      9.72570836    -17.03905194
  H     16.70214778      8.09615531    -16.68489169
  H     13.96283124      8.87516928    -17.35104303
          69
 Energy    -248.90062886614078     
  O     16.21444260      9.30347119    -15.89040176
  H     15.87467678      8.64140279    -16.48596448
  H     18.54411758     11.47403788    -16.85904976
  O     18.17800958     14.58755358    -16.16731703
  H     16.80388172      9.87713488    -16.41279328
  H     18.18519127     10.58873330    -10.06047366
  O     21.47650579     10.14621497    -16.00891376
  H     18.87337262     13.91703057    -16.17211307
  H     18.93300413     10.20180759     -8.76322745
  O     19.45524178     13.50646122     -9.97490318
  H     18.29460849     15.09496175    -15.35445425
  H     19.59419640     18.52671640    -11.66548948
  O     15.22153352     12.44587784    -12.23751918
  H     21.16837603      9.60854444    -15.25985462
  H     20.02895733     17.13100012    -11.15824611
  O     20.85276013     10.59802853    -11.68131045
  H     22.04827359      9.58211182    -16.52191169
  H     20.95969133     13.34048711    -10.99068018
  O     16.81519948     10.30523399    -11.08877066
  H     19.31417013     12.60986377     -9.64897694
  H     22.39745665     13.86432677    -11.22478313
  O     19.97464739     12.39705467    -15.82016134
  H     18.75916216     13.66413953    -10.63214577
  H     17.16805080      9.13208123    -14.31465919
  O     21.19119416     14.30177811    -14.05087453
  H     14.33428500     12.62312667    -11.93680957
  H     18.06998753     10.14640282    -13.57180851
  O     20.55733197     16.10333734     -9.84081740
  H     15.15110495     12.17267007    -13.17012804
  H     22.03895282     15.92464250    -13.55459561
  O     15.07558190     11.70791793    -14.81979936
  H     21.37423851     11.41005266    -11.61484770
  H     21.52817721     17.14594978    -12.76487130
  O     17.72125816     11.12418457    -17.21609414
  H     20.29709105     10.55053119    -10.89234252
  H     19.01744382     16.44773675    -13.12068531
  O     18.99534263     10.74739998     -9.54267347
  H     16.22890947     11.00268054    -11.40240730
  H     19.62565080     15.19116224    -13.78064258
  O     19.82919056     17.65033890    -11.95786371
  H     17.04667088      9.78193134    -11.86878609
  H     23.00823020     15.95467612    -11.56411306
  O     21.75700294     13.20844530    -11.52573253
  H     20.59028069     11.66969927    -15.99926472
  H     24.10684899     15.72542470    -10.49706144
  O     17.71612975      9.24411512    -13.52858953
  H     19.53443769     12.17878076    -14.98143995
  H     19.56986444      8.70796443    -13.75469452
  O     22.33105450     16.67276695    -13.01593933
  H     20.98405685     13.65222756    -14.73119497
  H     20.79960716      9.27385701    -13.03077476
  O     18.79304501     15.66940473    -13.64517364
  H     21.38711614     13.82007500    -13.23439702
  H     19.61453766     11.35461139    -12.83137234
  O     23.22122466     15.47430812    -10.74353782
  H     21.49432476     15.91338116     -9.97325670
  H     18.46610915     12.41089739    -12.88712566
  O     20.53056118      8.77860949    -13.81615353
  H     20.12413119     15.24759127     -9.72406511
  H     16.70252381     13.87199158    -16.67535834
  O     18.93187972     11.73846730    -13.39856699
  H     15.29952746     12.32135862    -15.53121799
  H     15.49741771     13.84155474    -17.64586455
  O     15.94061075     13.33915071    -16.96787044
  H     15.34926734     10.83587892    -15.12686709
  H     16.73576823     13.47867348    -12.10851552
  O     17.64652334     13.77631258    -11.99143403
  H     17.11401170     11.87426796    -17.26678766
  H     17.85194985     14.49273008    -12.60758173
          69
 Energy    -248.90033992470498     
  O     14.18753003      6.70937411     -9.08655504
  H     13.44952771      6.23531663     -9.49682978
  H     13.56062335      7.99652839    -14.32510406
  O     14.99192091      7.13095491    -16.73098974
  H     14.99630934      6.28042230     -9.38935986
  H     16.09831573     10.54859168    -13.38966102
  O     18.14973953      8.52865564    -14.68460522
  H     14.66625492      6.76684566    -17.55050084
  H     17.14357499      9.40640043    -13.49769122
  O     11.20896999      6.19589979    -14.00350519
  H     14.21190642      7.40756115    -16.21920276
  H     13.77988907      8.28946783    -12.20670930
  O     19.24902569      5.08001061    -10.78256040
  H     17.74126434      7.65148650    -14.72851086
  H     15.17744802      8.60109875    -12.81770813
  O     12.86557985      4.14231129    -12.86727361
  H     19.03472644      8.41500030    -14.31767836
  H     12.33041478      4.91862416    -11.18898685
  O     16.95109392      8.77784416    -10.38837503
  H     10.85002691      6.62141514    -13.21444879
  H     11.46288500      6.10122309    -10.73120060
  O     12.48901008      9.32085072    -11.35774002
  H     11.71431758      5.43723746    -13.68567531
  H     21.43741039      8.24078049    -13.40710475
  O     19.31298194      5.35043320    -13.49185900
  H     19.79627877      4.35076653    -10.50460450
  H     20.24729785      8.02102077    -12.44054108
  O     15.24802744     11.55086361    -14.73027912
  H     19.25735068      5.08527392    -11.75645260
  H     15.79528085      5.39542441    -11.83721995
  O     12.74506754     10.55345087    -13.80388873
  H     12.94540192      3.20594025    -13.03072330
  H     14.92954724      6.28667270    -12.73461467
  O     12.97739222      7.96911488    -15.09896770
  H     13.76912717      4.49783910    -12.82943937
  H     17.06602875      9.38049295    -15.94807138
  O     16.51671996      9.83393632    -12.89530327
  H     16.16418841      9.04170604     -9.89721619
  H     15.80324022      8.88372621    -16.66048701
  O     14.47145643      7.94316371    -12.78381465
  H     16.87391625      9.21762335    -11.24782139
  H     16.26847758      6.30809997    -15.56488157
  O     12.11605191      5.46157534    -10.42190924
  H     12.58757609      9.91782084    -12.11681669
  H     16.34409154      5.74408301    -14.12286075
  O     20.53042809      7.95044686    -13.37024996
  H     13.11296739      9.55134825    -10.65912887
  H     18.78578759      8.30526032    -10.54838446
  O     15.30135172      5.39104615    -12.66728555
  H     18.53707730      5.45184960    -14.05589183
  H     19.56663727      6.97516827    -10.64274373
  O     16.27908485      9.68687323    -16.41991333
  H     19.81747349      6.16958714    -13.57719897
  H     11.14619041      8.18236310    -11.45624253
  O     16.88288260      6.05216790    -14.86576313
  H     15.43872221     12.42687319    -15.05506851
  H      9.64087791      7.87411763    -11.28971200
  O     19.63232121      7.92344563    -10.81276586
  H     15.56188215     10.92576138    -15.40850459
  H     16.75399666      6.91138275    -10.38043170
  O     10.47102244      7.49013075    -11.55983415
  H     12.63303859      9.79082835    -14.38525478
  H     17.51854026      5.56242411    -10.35363236
  O     16.63719748      5.95272578    -10.31111269
  H     13.54514083     10.99465406    -14.11446248
  H     14.27216729      9.76307098     -8.38839131
  O     14.38746132      9.37231577     -9.25067748
  H     12.26460219      7.35823545    -14.85843146
  H     14.26236889      8.40928210     -9.14105531
          69
 Energy    -248.90022463952113     
  O     12.05847885     11.32277164    -14.16950488
  H     12.71717363     12.01571124    -14.05070895
  H     15.11658488      6.27539029    -15.64793898
  O     15.61973973      6.54582763    -13.91102665
  H     12.38622387     10.77929909    -14.90080193
  H     16.63976545     11.81672730    -15.65696716
  O     17.20463081     10.45337243    -10.57214765
  H     16.56345321      6.44478750    -13.73979766
  H     15.57231214     11.75769200    -16.76012250
  O     17.73860710     10.54850827    -14.79486370
  H     15.14888649      6.57365368    -13.06654328
  H     14.61529206      9.44134670    -14.87843797
  O     12.13381701      7.12275757    -16.14422232
  H     17.46395315      9.55403887    -10.83621294
  H     15.43057194      8.33889830    -14.14378833
  O     15.38475803      9.00885596     -8.86402906
  H     16.43939245     10.70822268    -11.10964017
  H     10.11404950      9.87483713    -12.16826857
  O     14.12526344      6.85130231    -11.59895461
  H     18.11403530     10.94964308    -13.99740548
  H     11.36533169     10.27094395    -12.98850134
  O     15.02472320     11.04581218    -12.18604139
  H     16.89834857     10.12260605    -14.56455182
  H     18.11534709      7.42493098    -12.04754975
  O     16.54020002      8.24705329    -17.58455018
  H     12.05850885      7.07812368    -15.17346604
  H     17.30869743      7.26136354    -10.73236196
  O     16.01158890      6.45854911     -9.55323036
  H     11.34150981      6.72897124    -16.49875788
  H     11.56478699      7.96398335    -13.07565949
  O     18.88117258      8.32511396    -15.81296845
  H     14.56535715      9.18961442     -9.34429359
  H     12.63143605      6.87723765    -12.82752668
  O     14.84384611      6.32907802    -16.57489478
  H     16.04922454      9.59600264     -9.24671466
  H     18.32280014     11.28829812    -11.73716198
  O     15.87245937     12.28543408    -16.01075414
  H     14.70024265      6.53541029    -10.89121742
  H     19.39775083     12.30136950    -12.15889754
  O     15.33037447      9.29280693    -14.24667425
  H     13.86485292      7.74744335    -11.34084385
  H     18.62068376      7.14970780    -14.45424882
  O     11.01609363      9.62457845    -12.34791569
  H     14.79874218     11.86234225    -12.64511383
  H     19.00273556      5.79312511    -13.82390718
  O     17.84407002      7.88005980    -11.24388628
  H     15.11722534     10.37001731    -12.87628872
  H     15.00707422     10.58342454    -18.99094593
  O     11.94535582      7.15677956    -13.44450852
  H     15.95476130      7.52874477    -17.29693796
  H     15.63284754      9.66585480    -17.91294363
  O     18.79094998     11.65229412    -12.50476488
  H     17.32979489      8.19197309    -17.03975531
  H     12.44908045      9.49192206    -11.15889558
  O     18.43157475      6.55008533    -13.71503122
  H     16.15284473      5.89481989     -8.79794247
  H     13.88253798     10.06041194    -11.22438453
  O     15.05707475     10.44107886    -18.04993412
  H     15.79842456      7.34469531     -9.20572625
  H     14.83845262     12.85068002    -14.71005883
  O     13.32632592      9.41266535    -10.76589601
  H     19.67271761      8.52691904    -16.30595341
  H     14.31443076     14.06581737    -13.91346108
  O     14.29190359     13.11335535    -13.94814761
  H     18.54098909      9.17171043    -15.47122672
  H     12.84162449      8.82212248    -16.21995142
  O     13.23381961      9.69262328    -16.07338905
  H     13.89601338      6.50169170    -16.54590734
  H     13.75180511      9.93483037    -16.85137897
          69
 Ord_Energy   -248.900208    
 O   -6.67478466      -12.4136229       7.39273834    
 H   -5.78798723      -12.0996990       7.60583782    
 H   -6.84985161      -12.1155434       6.48953962    
 O   -7.13190556      -5.28483343       6.34663057    
 H   -6.48018265      -5.95576143       6.09362984    
 H   -7.17122984      -5.29776144       7.31189394    
 O   -5.13961124      -9.23417091       9.63923931    
 H   -5.91184950      -9.35960293       10.2125721    
 H   -4.81789827      -8.33172131       9.77692795    
 O   -4.13088179      -11.1320009       7.94819117    
 H   -3.38223886      -11.5799484       8.33443546    
 H   -4.43098068      -10.4783173       8.60261917    
 O   -10.6719828      -7.64926243       8.40265942    
 H   -10.3561373      -7.21115065       7.60151863    
 H   -10.9160109      -8.54368401       8.13891411    
 O   -8.49740219      -10.6988792       8.50940037    
 H   -7.92017508      -11.4215631       8.22357845    
 H   -8.09661865      -9.88467503       8.16715813    
 O   -7.25143290      -10.9158525       2.09250093    
 H   -7.17586708      -11.5763655       1.40934706    
 H   -6.38097858      -10.4833460       2.16481256    
 O   -6.50053883      -7.23508930       2.88361859    
 H   -6.75254726      -6.30466509       2.97504258    
 H   -7.32348490      -7.73482800       2.81110263    
 O   -4.94250631      -9.56860542       2.54640126    
 H   -4.60196304      -9.74364853       3.43237472    
 H   -5.29266119      -8.66680241       2.56177878    
 O   -4.64118767      -6.53317404       9.84092331    
 H   -5.53900766      -6.24234343       9.61837673    
 H   -4.06086540      -5.82165670       9.58166218    
 O   -5.64232492      -7.49666452       5.50187731    
 H   -5.94696331      -7.39112711       4.58982801    
 H   -5.10803032      -8.30262661       5.50905800    
 O   -4.61910152      -10.0485830       5.36914682    
 H   -4.30347109      -10.4165583       6.20265913    
 H   -5.51066303      -10.4072952       5.23861265    
 O   -7.18809748      -11.0769281       4.94434452    
 H   -7.24924183      -11.1848803       3.98813677    
 H   -7.91142702      -10.4883337       5.20055246    
 O   -8.92858887      -8.73068333       2.75075173    
 H   -9.16527081      -9.01357555       3.64769101    
 H   -8.47403812      -9.48218918       2.35059381    
 O   -10.0927486      -6.24410963       3.23897910    
 H   -10.8520594      -6.03762341       2.69905353    
 H   -9.75262165      -7.09770823       2.92578292    
 O   -7.58852100      -4.79062271       3.54690266    
 H   -8.49430084      -5.09953499       3.42447400    
 H   -7.45149565      -4.72918177       4.50107574    
 O   -7.28348875      -6.09173012       9.02156639    
 H   -7.95711088      -6.22565079       9.69857693    
 H   -7.25534487      -6.92952585       8.53231525    
 O   -9.29275227      -7.11507702       10.6823530    
 H   -9.89291000      -6.79573441       11.3508291    
 H   -9.83115387      -7.31470966       9.89515114    
 O   -7.58359718      -9.45896721       10.8879900    
 H   -8.12944984      -8.66478443       10.9279594    
 H   -8.00189018      -10.0263920       10.2266455    
 O   -7.00641060      -8.51295567       7.68283939    
 H   -6.58667469      -8.21478939       6.86592484    
 H   -6.30175829      -8.78090954       8.29111290    
 O   -9.38144016      -9.38550568       5.39284754    
 H   -10.0217266      -9.81029797       5.97592783    
 H   -9.31698895      -8.46593285       5.68788195    
 O   -10.9683104      -10.3624907       7.49418259    
 H   -11.5779295      -11.0658360       7.69873619    
 H   -10.1255865      -10.5787992       7.93482161    
 O   -9.54843044      -6.67505598       5.98929501    
 H   -9.87604904      -6.44075298       5.11250830    
 H   -8.73359203      -6.17447710       6.12753201    
          69
 Energy    -248.89999037761544     
  O     10.06438682      6.20368496    -12.60388509
  H     10.44113630      5.70107438    -13.33488029
  H     16.22719474      5.83982110     -9.77034406
  O     13.62150447      4.16776918     -8.89493627
  H     10.40958965      7.09923580    -12.69756105
  H     15.96021371      5.64491975    -14.51032949
  O     16.79354473      8.30116583    -12.95646884
  H     13.17249458      4.98678114     -8.64846927
  H     15.90670496      7.09841083    -13.95461193
  O     17.21946871      4.27383865    -14.26239818
  H     14.49161795      4.41596842     -9.22516257
  H     13.49304012      5.02399529    -12.22507892
  O     16.62686866      7.42772145     -9.08095588
  H     16.30735359      8.58045958    -12.16818314
  H     14.45082120      6.05084770    -12.88087923
  O     12.26163516     11.19071911    -13.56454903
  H     16.76857657      9.04484872    -13.57288230
  H     10.64880224      4.22609806    -10.19882260
  O     11.94815009      6.45037844     -8.44022524
  H     17.62866959      4.80945004    -13.55738767
  H     10.14283292      5.48685528    -10.95054595
  O     12.85013633      7.24029396    -15.04661959
  H     17.92855850      3.93844726    -14.80397017
  H     16.77834388     10.92425115    -15.35669695
  O     15.57720630      2.94410826    -12.33918791
  H     17.30481143      7.82992467     -8.54376641
  H     15.43560795     10.20464832    -15.08629157
  O     14.87062890     11.38895525    -12.37092704
  H     16.22625149      8.14823284     -9.59278622
  H     12.59010293      7.51448907     -9.79657133
  O     18.02480038      5.85563603    -12.22635164
  H     11.93428781     10.31754990    -13.28758434
  H     13.28123566      7.12321173    -11.12860944
  O     15.97604713      5.07030207    -10.30551485
  H     11.50806293     11.77490234    -13.57818599
  H     15.20438223     10.07373625    -11.19308976
  O     15.38498308      6.41047782    -14.39437595
  H     11.52102092      6.68626516     -7.62158349
  H     14.47281612      8.81664075    -10.64618449
  O     13.97804327      5.84275536    -12.06484787
  H     11.27979031      5.99930980     -8.99082077
  H     13.22624013     10.41342433    -15.01350572
  O     10.29041331      5.11105654    -10.06992960
  H     12.32994288      6.42778045    -15.04577563
  H     13.41655249      8.98912090    -15.57242431
  O     16.29960220     10.43011558    -14.69684299
  H     13.77055200      6.96199945    -14.92590022
  H     12.49793798      3.15007740     -9.75422217
  O     12.94583691      7.87741459    -10.61617673
  H     16.14530589      3.27394980    -13.04725147
  H     11.65094143      1.85770438     -9.84892561
  O     15.34394764      9.22721568    -10.74454460
  H     15.83696595      3.43110077    -11.54951142
  H     12.07790228      8.13843672    -13.61197759
  O     13.79305458      9.87767369    -15.58340079
  H     15.42485433     11.21606865    -13.14143255
  H     12.03819108      8.42155832    -12.07184184
  O     11.82492381      2.68689499    -10.28607679
  H     13.96499284     11.41380296    -12.70427646
  H     11.98714893      4.21007895    -14.05196547
  O     11.60795199      8.62137731    -12.91654920
  H     17.76615767      6.76549685    -12.42681260
  H     11.06749752      4.18016444    -15.29249484
  O     11.48634026      4.76922149    -14.66938252
  H     17.48159614      5.58363293    -11.47753876
  H     13.81840998      3.09775543    -12.69448211
  O     12.88910491      3.36689862    -12.76045655
  H     15.28904423      5.37247810    -10.92030453
  H     12.44314495      3.05124656    -11.96310455
          69
 Energy    -248.89975199937447     
  O     16.32048600      9.76606908    -16.11436717
  H     15.92474867      9.29922167    -16.84676438
  H     19.22920408     11.00390371     -9.78386417
  O     21.35702245     10.15971171    -15.96093560
  H     17.12945025     10.18083557    -16.45415392
  H     20.74616564     16.80885561    -12.25530517
  O     19.71145255     12.87158280     -9.89223944
  H     21.42173188     10.89120381    -15.32109561
  H     19.24706244     16.45206868    -12.17274582
  O     15.03714240     11.84650479    -11.71528225
  H     22.19321340     10.11729344    -16.41784478
  H     21.83725683     10.97609661    -11.32944939
  O     21.45626589      9.17523868    -11.24111094
  H     18.89698326     13.00565460    -10.39890455
  H     21.08068962     12.25947649    -10.90249435
  O     16.66494934      9.48291615    -11.40285033
  H     20.01843741     13.74429722     -9.61791749
  H     17.32147618      9.08799215    -12.94649919
  O     18.75756908     11.06042231    -16.58328556
  H     14.96917815     11.78904096    -12.68501856
  H     17.18334852      9.09432121    -14.51644270
  O     20.43476465     14.72333024    -14.64740612
  H     14.15052671     11.96205567    -11.38426069
  H     18.97266477     12.99352423    -17.06216781
  O     20.74398507     15.45274693     -9.45362156
  H     21.14814024      8.91684559    -12.12810727
  H     19.53779367     14.23151207    -16.31872748
  O     21.23383697     12.15682981    -14.10823892
  H     21.92555356      8.42610244    -10.88380907
  H     22.57116302     15.64941532    -12.57727445
  O     15.01667645     11.75856898    -14.44149496
  H     16.07025724     10.23962592    -11.37745696
  H     23.06527882     16.81550438    -13.46914084
  O     18.99639204     10.10062019    -10.02829512
  H     17.42342154      9.69249032    -10.83596678
  H     17.52950006     15.07068747    -13.86120626
  O     19.98090043     16.82706357    -11.66795455
  H     18.61818813     11.38537657    -15.68315301
  H     17.90921980     14.65495161    -12.44040458
  O     21.81803513     11.93526957    -11.44126390
  H     19.62619091     10.63810667    -16.56377821
  H     22.23901435     14.86842585    -10.51844025
  O     17.80953862      9.05475064    -13.78665450
  H     19.64698292     14.91715067    -14.12124233
  H     22.66438787     13.61970544    -11.31120273
  O     18.87611587     13.94798818    -16.96324943
  H     21.13073876     15.30682936    -14.31741756
  H     20.85199651      8.96033993    -14.52316083
  O     22.30691692     16.26963275    -13.28090687
  H     20.77220836     16.02474866     -8.69136457
  H     19.56624509      8.60392479    -13.74492024
  O     18.10625891     15.31026041    -13.12493831
  H     20.41290018     15.98882482    -10.19638321
  H     18.28309971     10.79619403    -13.70040853
  O     22.81984592     14.56920116    -11.22949039
  H     21.04441089     13.08247595    -14.31853973
  H     19.47332805     11.81915975    -13.81584708
  O     20.53285474      8.56267259    -13.70651444
  H     21.52208812     12.10200590    -13.18620913
  H     17.40472115     13.91884939    -15.86729424
  O     18.51043253     11.73158506    -13.80672666
  H     15.45832313     12.55725405    -14.76229369
  H     17.36624460     13.09455841    -14.56750715
  O     16.86707570     13.74550894    -15.08109943
  H     15.33780042     11.04322423    -15.00106991
  H     16.62630497     12.76894102    -11.47013462
  O     17.53443781     13.08140859    -11.56778188
  H     19.80311372      9.71017085    -10.38393107
  H     17.92200941     12.53673877    -12.26827964
          69
 Ord_Energy   -248.899597    
 O  -0.894029796       4.27303648     -0.774775684    
 H   -1.40918612       4.25076866       4.71050106E-02
 H   -1.11465681       5.11618948      -1.18753695    
 O    2.21142721       2.62566471       2.83731031    
 H    1.93650174       3.13669467       2.05364895    
 H    3.06671691       2.25580430       2.63738418    
 O   -1.71246433       6.88401318      -1.44681191    
 H   -1.50407791       7.50774574      -2.13704443    
 H   -1.32769012       7.23797560     -0.622901559    
 O  -0.156155914       1.80867934       4.01572609    
 H   0.717795491       1.96581769       3.63579726    
 H  -0.436797261       2.64253664       4.42146826    
 O   -5.05155373       4.23493385      0.414939731    
 H   -5.67289400       4.07855463       1.13754201    
 H   -5.04032469       3.43669391     -0.129961506    
 O   -5.96980381       1.02958167       1.64150345    
 H   -5.54426098       1.13550532      0.781851888    
 H   -5.28061819      0.774546504       2.27055693    
 O   -4.54771471       3.45218778       4.41052008    
 H   -3.98550200       4.21057034       4.19932079    
 H   -5.35645533       3.55256343       3.89418697    
 O    1.57458031       5.01384401       4.35306549    
 H   0.755590081       4.78420401       4.81314993    
 H    1.90548742       4.19343901       3.96895862    
 O   -2.75058484       5.50056458       3.69721222    
 H   -2.55498862       5.00025034       2.88780499    
 H   -2.95038795       6.39912081       3.41273570    
 O   -3.27283669       7.92634439       2.39918470    
 H   -3.72486115       8.74258614       2.59482050    
 H   -3.66171122       7.57971907       1.57526100    
 O  -0.927300394       4.16767216       5.28458929    
 H   -1.50519276       3.71983361       5.91806269    
 H   -1.50079656       4.74453974       4.76017141    
 O   -4.80371666       1.75946736     -0.888192296    
 H   -3.83405113       1.70829153     -0.958923340    
 H   -5.15444994       1.42808855      -1.71080291    
 O   -1.82047057       1.33950520       1.82458341    
 H   -1.13134241       1.46919227       2.48913240    
 H   -2.60892129       1.06994140       2.31549239    
 O   -2.47932386       4.01404238       1.46589315    
 H   -2.27902055       3.07787967       1.59868038    
 H   -3.37373495       4.08103943       1.10385001    
 O   -1.91415942      0.197128281       5.41879559    
 H   -1.21010792      0.676576495       4.95033503    
 H   -1.50459063     -0.558668137       5.83197117    
 O   -2.09689212       1.69415486     -0.947116911    
 H   -1.62389839       2.52521777      -1.08304119    
 H   -1.87890112       1.41012645      -4.82868589E-02
 O    1.44435620       4.21921635      0.800882399    
 H   0.718590558       4.18989515      0.165425405    
 H    1.44496822       5.11066818       1.17054367    
 O   -4.16671467       6.88178253       5.60745411E-02
 H   -4.55402851       5.99737835       8.48732069E-02
 H   -3.42781639       6.84053659     -0.563400447    
 O   -2.85105515       2.67948937       6.60483027    
 H   -2.61496377       1.77473640       6.36893606    
 H   -3.57017541       2.92908049       6.00957918    
 O   -6.71280813       3.45773339       2.56798649    
 H   -7.65179110       3.54474258       2.70828795    
 H   -6.55436563       2.54730487       2.25632381    
 O   -3.92859507      0.856060743       3.55744338    
 H   -4.12004948       1.75669587       3.86017656    
 H   -3.35655618      0.460529059       4.22633743    
 O  -0.809032381       7.78132629      0.932941198    
 H   -6.93543479E-02   7.41592455       1.43397617    
 H   -1.54423916       7.88666344       1.54781437    
 O    1.44256699       6.70503759       2.23560381    
 H    2.21613574       7.26276970       2.27391958    
 H    1.45308733       6.16702318       3.04619050    
          69
 Energy    -248.89929960162482     
  O     13.72475815      7.11719489    -14.24169625
  H     13.92139538      6.43878234    -14.90233898
  H     18.08160556      4.80195723    -15.76212003
  O     17.89732139     11.56078691    -12.41609391
  H     14.46056991      7.74791465    -14.24889521
  H     15.04270528     12.24460824    -17.52095408
  O     17.06877091      7.68372701    -17.49541517
  H     16.93340823     11.47556353    -12.40712462
  H     15.66296522     11.08546126    -16.70733450
  O     11.98630928      9.25838886    -14.50929337
  H     18.21111681     11.03491555    -11.67009368
  H     16.21432723      9.24515291    -14.90250490
  O     16.34065088      8.49280026     -9.92690206
  H     17.26032408      6.92033944    -16.93821924
  H     15.64716900      9.56153428    -13.49227046
  O     13.60938126      6.45734519    -11.61192167
  H     16.18241824      7.53720673    -17.85145826
  H     19.43324328      8.84907216    -11.95987690
  O     15.19005734     10.96647920    -12.44205796
  H     12.52292870      8.45553828    -14.42794053
  H     19.60093419      9.13205023    -13.46626526
  O     14.37833597      7.23361186    -18.29575641
  H     11.54093755      9.36256659    -13.66055061
  H     10.41631059      5.97351727    -11.49677786
  O     16.30568490      5.85799055    -11.06571236
  H     15.45472532      8.83806079    -10.08501825
  H     11.83383798      6.53042157    -11.28383200
  O     17.06068901     10.10344438    -16.28062529
  H     16.32705154      7.57213332    -10.21545172
  H     18.73228540     11.06185665    -13.83605496
  O     14.55759500      5.36880378    -16.16816904
  H     14.47600621      6.11249606    -11.37052064
  H     19.94746861     11.26642914    -14.77302548
  O     17.39313612      5.46018324    -15.70702987
  H     13.62120895      6.61484451    -12.57036531
  H     16.90144067      7.53204827    -13.56852894
  O     14.83054013     11.54707069    -16.90622170
  H     14.67736975     10.42927118    -11.82557821
  H     18.36286607      7.27959805    -13.12648978
  O     15.84529767      8.84300463    -14.10683738
  H     14.57116841     11.34122267    -13.08862540
  H     17.86265935      9.29741013    -10.22555282
  O     19.65698314      8.43301255    -12.80320065
  H     14.01346891      7.10603143    -19.16734723
  H     19.13777920      9.88959674     -9.58624169
  O     10.89102311      6.75694261    -11.23003848
  H     13.88030345      7.96598205    -17.89079383
  H     13.62064774     10.11652939    -17.13542069
  O     19.21981448     10.67778636    -14.58896131
  H     16.76720586      6.13553117    -11.87538398
  H     12.56289153      9.31341421    -16.34715076
  O     17.52441168      6.83304672    -13.31714528
  H     16.76775018      5.09375977    -10.73089874
  H     13.72877857      8.23644865    -11.10958009
  O     18.72141377      9.70972279    -10.42505413
  H     17.17257985      9.27556474    -16.77526136
  H     12.80725608      9.45626952    -11.08522971
  O     13.07630000      9.31960075    -17.16350537
  H     17.86881162     10.29098383    -15.78704317
  H     13.90982025     11.76192909    -15.25715906
  O     13.70789732      9.17691801    -10.88281497
  H     15.50863020      5.27679982    -16.03237797
  H     12.91358006     10.89083393    -14.46488462
  O     13.46052846     11.68583408    -14.40679085
  H     14.45324802      5.91503230    -16.95900076
  H     10.27260001      9.91768275    -11.46439034
  O     11.00974976      9.42603982    -11.81776898
  H     17.48424181      5.88739209    -14.83989498
  H     10.86094740      8.49134637    -11.59168831
          69
 Energy    -248.89927823882766     
  O     13.29848517     13.57949803    -14.47987158
  H     12.97996063     12.72883394    -14.80790904
  H     18.20210989     10.97732302    -15.63934447
  O     17.68035319      6.47905051    -14.46937180
  H     14.00095390     13.84602410    -15.08394780
  H     13.84079366      8.72837450    -18.05336862
  O     19.48844743     10.74331076    -12.40936571
  H     16.95324915      6.01573255    -14.03681052
  H     14.46416021      8.65104931    -19.46921079
  O     17.44400792     13.98332216    -14.37885765
  H     17.31577630      6.86370474    -15.27657820
  H     16.93405143      9.99065045    -12.95509900
  O     15.36501057      5.58762475    -12.93832453
  H     19.17856065      9.83024946    -12.46001546
  H     16.33815239     11.44066713    -12.81332875
  O     15.61936415      9.86387854     -9.40423167
  H     19.07040143     11.09746666    -11.61127401
  H     13.70817374     11.05407041    -15.96842237
  O     15.39779825      7.82444766    -11.28830692
  H     16.82616134     13.98100140    -15.11889330
  H     13.18015539     10.47732112    -14.62133950
  O     13.64690347     13.67854248    -11.80604781
  H     18.16233244     13.37812257    -14.60134343
  H     17.17281810      8.17022260    -11.98036886
  O     12.58145889      8.49149244    -16.86193516
  H     15.39859117      6.26888816    -12.24706567
  H     17.96413890      7.78546640    -13.24924487
  O     16.37172723      8.01653303    -16.48539795
  H     15.19760966      4.75799752    -12.49780050
  H     15.48996474     13.39208070    -11.91353283
  O     14.19918760      7.26042673    -14.89101151
  H     14.89576117     10.33660867     -9.85380977
  H     16.76795434     13.52288282    -12.81240515
  O     17.36236193     10.52224949    -15.76987616
  H     15.44661973      9.92666127     -8.46795547
  H     19.53074702     11.58535425    -13.92394743
  O     14.64063676      8.92576166    -18.57370121
  H     14.80429503      8.31798012    -11.86838400
  H     20.40881385     12.22908258    -15.02009270
  O     16.26445621     10.60355296    -13.28995977
  H     15.52252270      8.38760526    -10.51214557
  H     17.21964137     10.93448245     -9.93825651
  O     12.91457506     10.94190017    -15.42528703
  H     13.20390831     14.44453208    -11.45102697
  H     17.39186617     12.21015510    -10.77585059
  O     17.89927730      8.44992342    -12.54819845
  H     13.48125749     13.67740826    -12.76584273
  H     15.98069401     11.08403799    -16.71828156
  O     16.39424950     13.08217400    -12.03361108
  H     12.43849697      9.33964346    -16.42255826
  H     14.96641617     10.61541770    -17.79013156
  O     19.50679435     12.01349483    -14.79997906
  H     12.96085263      7.91154221    -16.18811576
  H     13.45941076     10.48010735    -11.63176927
  O     17.88493002     11.54192648    -10.27705289
  H     16.83304255      8.83271132    -16.24382298
  H     13.56019089     11.93189468    -11.11729285
  O     15.15055483     11.32188289    -17.16019656
  H     15.89465818      8.20848814    -17.30136439
  H     15.28381892     13.07403487    -16.78659814
  O     13.60318398     11.00873394    -10.83792634
  H     14.48230860      6.55327328    -14.29955969
  H     15.34587277     14.57575772    -17.14234044
  O     15.39376869     13.96294202    -16.41195150
  H     14.97313048      7.51340807    -15.41639509
  H     13.89565216      8.64810750    -13.78929241
  O     13.86627454      9.41036563    -13.19337679
  H     16.91075081     10.57563620    -14.91237764
  H     14.72350980      9.86896007    -13.25568583
          69
 Energy    -248.89889928047521     
  O     10.57108108     11.33171782    -10.79330303
  H     10.38530411     10.38561847    -10.77325016
  H     11.10168719      8.34704985     -9.72588185
  O     13.74026938     10.83148518    -18.12323697
  H     10.52119266     11.60535876    -11.71712470
  H     13.50046856     11.98381650    -12.24631059
  O     12.32587791      8.14381318    -12.45815495
  H     13.69478928     11.74869280    -17.79513557
  H     12.36675168     12.77965088    -12.91312936
  O     14.59869057     10.09622095    -15.52688294
  H     14.12035096     10.86948380    -18.99644923
  H     16.90462490     11.30261270    -12.30774342
  O     12.75959605     11.07196323     -9.15651065
  H     11.64757177      8.12190059    -11.76952878
  H     15.66799565     10.45060681    -11.88053524
  O     13.52303872     13.27577364    -16.96085222
  H     13.01246156      7.50109920    -12.24703117
  H     15.45603804      8.85235837    -14.40155293
  O     11.97050336      9.74494664    -14.63608007
  H     14.40551812     10.18963842    -16.46818517
  H     16.33079092      9.02544249    -13.14485963
  O     15.07626963      7.55957929     -9.35282969
  H     14.83658374     10.97942996    -15.20937239
  H     14.81658805      5.76992854    -12.30245697
  O     13.89106904     10.35801147    -11.60957594
  H     12.00048383     11.40328961     -9.66123099
  H     15.13901690      7.24875272    -12.62253947
  O     12.43669471      8.40507819     -8.62256287
  H     13.36606001     11.78686433     -8.93752598
  H     16.60851700     13.46037958    -12.19364316
  O     15.36486383     13.94825783    -11.09029694
  H     14.10079687     13.22743775    -16.18691993
  H     18.00715176     13.59106155    -12.84788499
  O     10.44247346      8.40394552    -10.44180002
  H     12.62317542     13.38905089    -16.63223781
  H     10.64473368     12.57214585    -14.37105181
  O     13.27499889     12.85838682    -12.59844593
  H     12.88633648      9.87122657    -14.92060872
  H     11.19253634     11.21705960    -13.89531092
  O     16.63447143     10.43605330    -11.98203597
  H     11.99057078      9.07033957    -13.94481826
  H     15.37822503     12.89315680     -7.77154246
  O     15.88192030      8.36190392    -13.68712777
  H     15.57350106      6.88061289     -8.90062751
  H     15.54415966     11.72815499     -8.77617153
  O     14.68892118      6.66076863    -11.98691094
  H     14.97550874      7.26080721    -10.26952787
  H     15.91005842     12.88063320    -14.22963903
  O     17.20735483     13.07301099    -12.85895631
  H     13.57259516     10.51284352    -10.70974169
  H     14.38740304     12.82603682    -13.99485240
  O     10.81351023     12.05091555    -13.57722689
  H     13.36877947      9.63425579    -11.97330713
  H     10.75890650     12.28638894    -16.57526481
  O     15.08545477     12.57371247     -8.62116894
  H     12.55050652      9.36840947     -8.64283262
  H     10.05659500     13.66234773    -16.65302282
  O     15.07075183     12.71466606    -14.67315750
  H     13.31037650      8.03838686     -8.79692710
  H     16.60839157     10.27670448    -10.12529335
  O     10.73033266     13.17783680    -16.18274014
  H     15.28431245     13.54996805    -10.21509122
  H     15.86210146      9.33770141     -9.16949045
  O     16.29342029     10.19818602     -9.21387023
  H     14.54109200     13.74866950    -11.55644303
  H     11.88532692     10.59441883    -17.61242910
  O     11.05343481     10.63569603    -17.12495016
  H      9.65516108      7.96732588    -10.12842930
  H     11.22526548     10.18157025    -16.28755934
          69
 Energy    -248.89848994828907     
  O     15.82322931      4.98914517    -12.49410145
  H     15.98972895      4.59937702    -13.36152393
  H     17.89289692      5.12389590    -15.07226083
  O     14.78847591     11.32676854    -12.29160709
  H     16.58937488      4.80948263    -11.93430944
  H     16.21825396      9.50327348    -15.81909326
  O     17.38034741     11.42499667    -13.59537092
  H     15.64592927     11.48286803    -12.70410682
  H     16.43746443     10.89037927    -15.17824113
  O     11.28271873      7.78512030    -16.52689399
  H     14.23264409     10.92481059    -12.97472264
  H     15.56353310      8.23343653    -12.06320620
  O     16.85065594      6.67795394     -9.07813707
  H     17.79346456     10.67723686    -13.13393842
  H     15.95143898      6.82475754    -12.61556539
  O     12.90345306      7.20199366    -14.30851637
  H     18.01869802     12.13451637    -13.58622366
  H     14.26852529      7.90448099     -9.78244591
  O     13.53304888      9.96266704    -14.38151701
  H     11.88605165      7.51922861    -17.23098586
  H     13.41196216      7.24711589     -8.67573209
  O     13.98276643      9.95430212    -17.85820121
  H     11.68987401      7.47924230    -15.70341526
  H     18.66375339      4.14210694    -10.58602579
  O     16.20234181      4.08925910    -15.13353160
  H     15.89162862      6.60923411     -9.15531445
  H     18.61481882      5.45321985    -11.40942656
  O     16.52074472      7.80804655    -15.46066501
  H     17.23579104      5.99430934     -9.64022034
  H     14.07482321      5.42453342    -12.09528655
  O     14.51873244      5.99249443    -16.18028932
  H     13.17588062      8.12278532    -14.20119091
  H     13.36508609      6.25246077    -11.02069005
  O     18.50833035      5.86094193    -14.99439161
  H     12.93108689      6.77393872    -13.44112819
  H     17.59008726      8.64366855    -12.44519570
  O     15.90619427     10.42255829    -15.83212094
  H     12.80649525     10.24404760    -14.95186718
  H     18.27047644      9.30662988    -11.23366335
  O     16.05442343      7.77527130    -12.75504784
  H     14.34466801     10.08965087    -14.89324336
  H     19.29299081      7.48526218    -12.40275855
  O     14.00140730      7.04998407     -9.39978497
  H     14.71276230     10.23268707    -17.29035529
  H     19.19842129      6.28536851    -13.37815072
  O     18.08365991      4.84707792    -10.85992713
  H     13.17736649     10.28248187    -17.43876600
  H     17.46060873      8.28667811     -9.26811196
  O     13.25281579      5.90018592    -11.91056173
  H     15.58281598      4.70018883    -15.56802356
  H     18.03341095      9.58347761     -8.64510998
  O     18.33284510      9.21578761    -12.19360561
  H     16.06550169      3.23329365    -15.53160050
  H     13.70401912      8.26936199    -18.24243820
  O     19.42254663      6.53406178    -12.46787802
  H     16.33564234      7.84354731    -14.50881849
  H     13.42791420      7.20367992    -19.32776443
  O     17.68000887      9.21891271     -9.45174916
  H     15.86426745      7.20797092    -15.83656987
  H     15.92418587      9.38796269    -10.13795572
  O     13.46053504      7.33684598    -18.38430975
  H     14.18975751      6.33711058    -17.01999776
  H     14.88559033     10.06702041    -11.08228124
  O     15.05691773      9.27756444    -10.54722786
  H     13.94155300      6.34706186    -15.48553439
  H     10.78308305     10.96957256    -16.45170543
  O     11.59277218     10.47646909    -16.35604606
  H     17.99380743      6.63142740    -15.26979486
  H     11.36173038      9.53281933    -16.43160301
          69
 Energy    -248.89832777095845     
  O     13.27637138     11.12005227     -8.53903703
  H     13.33284299     11.11258271     -7.58677330
  H     17.21821973     14.53165720    -15.69530909
  O     11.25528633     11.08608825    -15.21150580
  H     13.86096797     11.83599640     -8.84407541
  H     12.88797585     12.92296668    -11.81017116
  O     13.90035371      8.86233045    -10.17276452
  H     11.63710956     11.45701738    -16.01717265
  H     12.68077027     14.31555333    -11.20587170
  O     11.03029030     11.35074622    -10.25476388
  H     11.00893756     11.83882931    -14.65300034
  H     12.41082653     13.91128825    -16.06293620
  O     11.61593590      9.10316452    -11.80664487
  H     13.10255908      8.76194555    -10.70678101
  H     11.57506348     14.24274617    -14.81521322
  O     13.34322813      9.80465822    -13.87388517
  H     13.72972708      9.59750841     -9.57091217
  H     15.01051211     11.83182669    -12.04271156
  O     14.33003459     15.36051722    -11.12254436
  H     11.32433522     12.18123626    -10.65758225
  H     13.96461419     11.28142325    -13.06250334
  O      9.66085292      9.27695977    -13.84543627
  H     11.65296277     11.20445496     -9.53194647
  H     17.36880950     12.37938048    -14.27719135
  O     14.59769285     14.50382583    -13.77498506
  H     11.38902624      9.88619435    -11.28266041
  H     17.09165844     10.90271174    -13.90911042
  O     15.14803207     11.94145505    -16.89426311
  H     10.89425538      8.97799702    -12.43457600
  H     12.39879092     12.52152570    -18.21548223
  O     10.47617811     13.23164579    -13.61750398
  H     12.70600785     10.22259031    -14.46749908
  H     13.49444789     12.22739383    -17.16246077
  O     16.70879722     13.78962420    -15.37936003
  H     12.83244163      9.47021626    -13.12355418
  H     15.47043079      8.67751759    -10.84999525
  O     12.20270073     13.52662006    -11.47817169
  H     14.50583902     16.28782767    -10.98373712
  H     16.85658012      7.99148524    -10.79020598
  O     12.33963685     14.53349323    -15.32878069
  H     14.49326269     15.18567400    -12.06377914
  H     15.09699514      9.39061441    -14.04637166
  O     14.23677869     12.06458730    -12.57024049
  H     10.17717439      9.85421244    -14.43254589
  H     16.24518970      8.95793568    -13.10806293
  O     17.59411026     11.68532793    -13.64759749
  H      9.15021627      8.69964269    -14.40740676
  H     17.42813680      9.23280341    -16.94111576
  O     12.54601239     12.42300100    -17.27901307
  H     14.52601115     13.60609630    -13.41363523
  H     16.43887888      9.32320435    -15.77017845
  O     16.36475555      8.67489474    -11.23737454
  H     13.81888254     14.63404993    -14.33781022
  H     16.58925786     10.53945380    -11.03259740
  O     16.05618356      9.26229254    -14.00352742
  H     15.62648992     11.10154710    -16.90818829
  H     17.07454330     11.68799230    -11.94670101
  O     16.55929214      9.54949004    -16.70598145
  H     15.71508901     12.57450653    -16.44022638
  H      9.39695126     11.40761264    -11.38850904
  O     16.58573434     11.49937956    -11.12998553
  H     11.08296217     13.45147419    -12.89617939
  H      8.95789414     10.68816987    -12.67812682
  O      8.84894265     11.50538141    -12.17711525
  H      9.74598804     12.75651757    -13.19644496
  H     15.68459494     12.56222565     -9.92926703
  O     15.00531348     13.03909298     -9.43011559
  H     16.00223082     14.15153883    -14.81912703
  H     14.82679100     13.84680466     -9.92262053
          69
 Energy    -248.89823645235458     
  O     16.94980520     10.32809516    -17.86763403
  H     17.14348037      9.78960259    -17.08417539
  H     21.81990555     10.36911464    -17.28549600
  O     17.31916184     14.20514675    -12.39082027
  H     16.04707244     10.65321020    -17.77757668
  H     17.43657599      7.80698607    -15.76944888
  O     20.12797121      8.99698926    -14.49712658
  H     16.40426287     13.92879789    -12.25729725
  H     18.45100013      8.86102012    -15.27000087
  O     15.32045905      6.50276077    -17.70421638
  H     17.82713806     13.73540472    -11.71693724
  H     14.55260486     11.62689544    -16.47447793
  O     16.14136038     11.13646165    -10.49043450
  H     20.55437275      9.42351106    -15.25138166
  H     13.83222055     11.93905936    -17.80570142
  O     15.20213370      9.25690560    -14.35568359
  H     19.84292762      9.66924875    -13.86239745
  H     16.02669945      9.00488638    -12.80003669
  O     17.86843482     12.56902408    -14.54805831
  H     14.91132715      5.70711864    -18.03786587
  H     16.97904919      7.94761307    -12.21546653
  O     19.98410335      6.34324523    -13.75334573
  H     15.87199553      6.23464858    -16.95069568
  H     14.19989320      7.90064270    -17.01810595
  O     19.65613017      5.26203103    -16.36517251
  H     16.23167960     10.27940149    -10.92737457
  H     13.81294282      9.40172616    -16.96406901
  O     17.06032805      5.97582767    -15.63026696
  H     15.56600747     11.67597028    -11.04751997
  H     18.95395536     12.47158844     -9.68686652
  O     17.47066055      6.20187726    -12.79511299
  H     16.06732700      9.10666572    -14.76966157
  H     17.69064871     11.94001481    -10.40955364
  O     21.00347148     10.03158197    -16.92722335
  H     14.54359096      8.92648410    -14.98271789
  H     18.09039065      9.99984961    -12.51887438
  O     17.56461080      8.75428888    -15.63590285
  H     18.20577710     11.83641603    -14.01465505
  H     18.88052176     11.22595500    -11.99021074
  O     14.32593174     11.26400396    -17.34643493
  H     17.75347678     13.30401981    -13.92860832
  H     14.77651961     12.62204043    -13.15627332
  O     16.68699252      8.85998045    -12.10513464
  H     20.15206245      7.27528239    -13.95771281
  H     13.84909743     13.30767980    -12.13045679
  O     13.69330452      8.55389954    -16.51927072
  H     20.02099975      5.88191494    -14.59998735
  H     19.14237269      7.61333059    -18.34802451
  O     18.55405565     12.37194175    -10.54624099
  H     19.82614892      6.05371177    -16.91029556
  H     20.30927541      8.32864764    -17.60800646
  O     18.79098449     10.62869303    -12.74307818
  H     20.07519579      4.52923542    -16.80685270
  H     15.13550395     11.00847777    -14.57688392
  O     14.71591058     12.92249105    -12.23564814
  H     17.05035066      5.99842454    -14.66543699
  H     16.11652247     12.19806675    -14.81667540
  O     19.95793172      7.46507229    -17.84586974
  H     17.92417182      5.63245485    -15.90144723
  H     18.33796524     11.47602190    -17.45745801
  O     15.17945242     11.95233030    -14.79816424
  H     18.41046747      6.24102721    -13.05247734
  H     18.71580646     12.27171696    -16.19238541
  O     19.07705567     11.91462987    -17.01378290
  H     17.38400706      5.47666954    -12.18124867
  H     17.30411316      8.78820460    -18.85519154
  O     17.49680328      7.86500990    -19.07010617
  H     20.34952177     10.75049721    -16.99524704
  H     16.74208352      7.36687794    -18.73765615
          69
 Energy    -248.89783034124611     
  O     -4.02581031      0.68500098      0.20434664
  H     -3.09691523      0.97837994      0.17818857
  H      1.11878791     -6.32888424      0.64387865
  O     -3.67210123     -2.12976212      6.85718328
  H     -4.52793391      1.31502668     -0.30502102
  H      1.54266656      0.82533788      3.11690098
  O      0.02763206      1.89853580      2.58438718
  H     -4.30499680     -1.71620496      6.25632638
  H      2.42852752     -0.38917961      2.76217152
  O     -4.09744862     -0.69640371      2.61080736
  H     -2.80029489     -1.78474282      6.62296064
  H     -0.59539501     -1.47660346      1.14580724
  O      1.64282999     -1.07430954      5.82861624
  H     -0.62832321      1.36034732      3.06192041
  H     -0.82452236     -1.05289074      2.63578984
  O     -3.64285874     -4.77526247      6.24483680
  H     -0.02980413      2.78183071      2.94200396
  H     -0.90260691     -3.38111485      2.21666934
  O     -1.11539900     -1.53852400      5.80070684
  H     -3.94341411     -1.60953845      2.32446382
  H     -0.57926334     -4.80692311      1.71701362
  O      1.63175070     -3.90584290      5.18653059
  H     -4.17562843     -0.15684604      1.81355892
  H      1.37430525     -1.75768045      1.82307003
  O     -5.25820230     -3.96021943      4.02286167
  H      1.85567443     -0.60824714      5.00152642
  H      2.22107669     -2.08562807      0.58926731
  O     -1.39008435      1.30418512      0.14306284
  H      2.26390432     -0.76471829      6.48306289
  H     -4.36816608     -3.66231970      2.48643947
  O      2.56664767     -4.36457981      2.63460183
  H     -3.86203231     -5.33308483      6.98626114
  H     -2.93039387     -3.76225213      1.90383164
  O      0.96628572     -5.39584497      0.76511813
  H     -3.68093728     -3.85433447      6.56232405
  H      1.20482045     -3.98218172     -0.38691118
  O      2.18327386      0.20479014      3.48367690
  H     -1.14438008     -2.45751297      5.49470917
  H      1.87036065     -3.47099529     -1.68118945
  O     -0.41117820     -1.71107608      2.06743704
  H     -0.18318448     -1.32547886      5.93717722
  H     -1.55167972     -0.38537529      4.52160885
  O     -1.21536470     -4.30100792      2.23274195
  H      0.69018409     -4.11827944      5.22650183
  H     -2.58212567     -0.08340445      3.38273080
  O      2.29035574     -1.78286334      1.49980390
  H      1.70457661     -2.97706750      5.43410889
  H     -1.58781878     -1.64106717     -0.77668856
  O     -3.78606520     -3.32825822      1.78811768
  H     -4.75126238     -4.37646458      4.73087290
  H     -0.04520615     -1.93947341     -0.88730537
  O      1.38212948     -3.18588052     -0.91206654
  H     -5.50886019     -3.09338915      4.36388837
  H     -3.58120869     -2.56430364      0.08077987
  O     -1.71204921      0.15100366      3.73181237
  H     -1.01364541      0.49845066     -0.23922103
  H     -3.70297629     -1.13555704     -0.48725213
  O     -0.69856371     -1.27505418     -0.64278602
  H     -0.82471839      1.55275177      0.88246274
  H     -6.31851523     -0.67481684      4.95831398
  O     -3.32948092     -2.00637435     -0.66765555
  H      2.29621076     -4.29218893      3.56174347
  H     -5.07082795     -0.93798625      4.08544018
  O     -5.53073337     -1.20939008      4.89703271
  H      2.67049751     -3.45864270      2.31867936
  H     -1.98919134     -4.54477660      5.41034102
  O     -1.17995530     -4.20635911      5.00899498
  H      1.57221015     -5.09755084      1.47128470
  H     -1.24066788     -4.35005452      4.05460342
          69
 Energy    -248.89774081371110     
  O      9.63661609      7.17073693    -10.46300680
  H      9.88578787      6.46249857     -9.85604421
  H     11.01063245      9.24595673    -13.23972526
  O     11.68049950      8.95551381    -10.26065584
  H      8.87809435      7.65215261    -10.11014877
  H     12.10348100      4.21447408    -11.41223966
  O     11.88304905      7.61510862    -13.93801730
  H     11.75323824      9.05996393     -9.30509839
  H     12.90974803      5.53986246    -11.19391130
  O      8.75185638      9.45290578     -7.29698912
  H     10.93047084      8.35281161    -10.38952180
  H     14.29954899      5.25645334     -7.28935036
  O      7.15577159      5.16184735    -12.33532578
  H     12.41134452      7.60645919    -14.73249929
  H     14.56720812      5.15624004     -5.76845247
  O      7.00988151      4.86054706     -8.01155366
  H     12.49587265      7.47761782    -13.19643742
  H      8.91460586     10.12646910    -12.28715228
  O     14.77042019      4.86453767     -8.92128436
  H      8.30507722      9.30827494     -8.14967529
  H      7.58987979     10.85757646    -12.55612935
  O     13.38026820      7.30187196    -11.63266373
  H      8.28988655     10.16685140     -6.86481269
  H     12.20757535      5.92542615     -6.48434168
  O      9.61285695      6.20028752    -13.00699551
  H      7.95512239      5.57269922    -12.70342364
  H     11.08053639      5.69804286     -7.52655132
  O      8.40335955      3.73650442    -10.19144628
  H      6.67357722      4.79459094    -13.07246530
  H      9.90424940      4.43735245     -9.40523397
  O     15.57401522      7.44972466     -9.89163040
  H      6.44809385      4.43747663     -7.36709012
  H     11.39513160      4.84196086     -9.62676154
  O     10.64688009      9.93615513    -12.67520540
  H      7.56277637      5.49450272     -7.52103770
  H      8.52657588      7.60890807     -6.79664672
  O     12.73228610      4.66310597    -10.82849405
  H     14.09213164      4.61220876     -9.56231927
  H      9.47239162      6.43313813     -6.50696265
  O     14.04474665      5.61557815     -6.42012431
  H     15.18935217      5.65253006     -9.28854924
  H     10.64572248      9.22002700     -7.37496776
  O      7.99151112     10.20021852    -11.99426198
  H     12.81205570      7.90712289    -11.13045335
  H     11.47788768      7.93813662     -7.20716975
  O     11.30803891      6.18314897     -6.71691478
  H     14.23809224      7.33348304    -11.19166839
  H      6.35820431      6.16444448    -10.89478885
  O     10.62462185      4.97890380     -9.05759482
  H     10.31180140      6.64932039    -13.49420003
  H      6.29583320      5.99921492     -9.36221588
  O      8.54544106      6.65381993     -6.66869285
  H      9.61693299      6.58928098    -12.11647426
  H      9.90179889      3.38622702    -11.57768910
  O     11.53789745      8.86719439     -7.47614733
  H      7.89733813      3.98360327     -9.40458832
  H     10.26242640      4.47496462    -12.59692282
  O      6.07753483      6.60363704    -10.08293647
  H      7.95002875      4.16397594    -10.92990665
  H      6.90515704      8.14781888     -9.79811159
  O     10.57745232      3.64485142    -12.21326026
  H     15.13015904      7.80530428     -9.10023818
  H      7.64272773      9.36546213    -10.47259591
  O      7.56028903      8.84765680     -9.65748038
  H     16.44043968      7.84665852     -9.92000525
  H     14.27571676      7.40442474     -7.07962643
  O     14.31210560      8.21602669     -7.60210597
  H     11.08294347      9.82153442    -11.81940833
  H     13.44220236      8.62343113     -7.51289182
          69
 Energy    -248.89745875614869     
  O     15.84226488     10.72799497    -15.66930353
  H     15.94520851     10.21718671    -16.48228268
  H     16.71181447      4.08201073    -16.28845073
  O     14.33278768      5.78298288    -15.67616960
  H     14.90284171     10.66724671    -15.44906474
  H     18.34136515      6.82549410    -15.68093670
  O     18.30137277      7.89460090    -12.11195422
  H     13.93753321      6.48195731    -16.21899766
  H     19.49200667      6.58861221    -16.70613576
  O     19.63325158      6.72713363    -18.53311556
  H     14.77243280      5.14061724    -16.24602600
  H     19.13450383      8.62246633    -18.52720474
  O     17.00267527      6.12669878    -18.80084653
  H     19.08831766      8.07283823    -12.63942722
  H     18.85886570      9.83273948    -17.59869694
  O     14.27390859      8.48123961     -9.81118261
  H     17.61271006      8.46792087    -12.48414547
  H     15.89420341      6.78012440    -15.40793810
  O     14.40590498      5.95390588    -12.97289994
  H     20.16892127      6.35499825    -19.22829421
  H     16.55362879      7.98341299    -14.66993764
  O     16.34341404      9.28975506    -13.37662505
  H     18.71313974      6.46092616    -18.71326137
  H     12.38152628     10.53244280    -14.78270395
  O     17.83204004      4.24650200    -14.95852218
  H     16.51654783      6.93439703    -18.60401845
  H     13.29566133      9.53616030    -14.03846420
  O     13.89205769      5.63532018    -10.23249968
  H     16.64265957      5.43183218    -18.23531103
  H     16.51541079      4.08665355     -9.14420328
  O     18.88080173     10.43170423    -15.86398033
  H     14.07068473      8.99956292     -9.03715925
  H     15.49574919      5.00809346     -9.85783317
  O     16.08422171      4.08294366    -17.03386247
  H     15.21973249      8.25394943     -9.75467787
  H     14.29513095      8.35788887    -17.43220552
  O     19.26902971      6.55146504    -15.76717518
  H     14.23486309      5.77885670    -13.90885543
  H     13.29564792      8.70837705    -16.31353394
  O     18.64262842      9.44830144    -18.46186114
  H     15.34152727      5.76106977    -12.81987231
  H     21.14936366      8.59731418    -14.12428588
  O     16.65633415      7.37280580    -15.40978274
  H     16.22904799      9.91007355    -14.10922014
  H     19.97240235      7.76765751    -14.69017643
  O     13.18064867     10.01796444    -14.87350023
  H     15.46623445      9.10912758    -13.01404683
  H     16.98087033      5.03920201    -11.55295192
  O     16.44432406      4.80830473     -9.76270658
  H     18.50733298      4.88435893    -15.22304072
  H     17.57750369      6.20833758    -12.37667810
  O     13.50034012      8.04290187    -16.98087252
  H     17.56145143      4.51398399    -14.07047119
  H     17.47669565      7.81068619    -10.42513085
  O     20.20096944      8.49796965    -14.08958429
  H     13.85550910      6.56659150     -9.98381331
  H     16.83308398      6.68938531     -9.58970458
  O     17.09932948      5.37073866    -12.45217107
  H     13.88891157      5.62765113    -11.20033508
  H     13.83749489      8.69148731    -11.59719784
  O     16.86022997      7.64794124     -9.69943536
  H     19.22943724      9.88087741    -15.15406820
  H     13.92899430      7.66393952    -12.75153724
  O     13.78290158      8.60288714    -12.55760213
  H     18.00939695     10.73183653    -15.59160172
  H     16.95103058      9.05589949    -18.14163259
  O     16.12006879      8.73792050    -17.75486657
  H     15.98568649      3.17640324    -17.31311853
  H     16.35454651      8.26600386    -16.93947393
          69
 Energy    -248.89716316309787     
  O     -3.13453534      4.53571349      2.13842871
  H     -3.26380506      3.74352130      2.67719574
  H     -3.51575849      0.96832729     -0.16415020
  O     -0.28842656      4.78435558     -0.68759963
  H     -3.05525824      4.23224097      1.22188129
  H     -6.43548870      3.11444179      0.58081468
  O     -0.83343390      1.15019072      3.02028733
  H      0.07064719      5.51824066     -1.17926289
  H     -7.23222798      2.11080313      1.49468993
  O     -3.68693276     -2.48186099     -0.28396771
  H     -0.31755478      5.06021424      0.24729124
  H      0.70945438      3.22071027     -0.19604622
  O     -1.22459313     -2.31737961      0.80598386
  H     -0.13854664      1.80532137      3.15438931
  H      0.59800099      1.72016900      0.16800203
  O     -4.53010433      0.77290456      1.25064031
  H     -0.82401428      0.93714182      2.07555581
  H     -2.95542436      2.90092915     -0.87891244
  O     -8.08360438     -1.10147365      1.65441757
  H     -4.32194150     -2.38123062      0.43904338
  H     -2.05603156      4.16489910     -0.78895991
  O     -3.42244086      2.06574813      3.40154617
  H     -4.03136621     -1.95847523     -1.01644499
  H     -4.74713737      4.40919739     -0.18563287
  O     -4.82178267     -0.74502276     -2.26722789
  H     -2.09440343     -2.40288446      0.37528538
  H     -4.95608444      4.80533110      1.26139117
  O     -5.38660851     -1.85149395      1.83082857
  H     -0.73050832     -3.10295600      0.58754448
  H     -4.84503965      1.33573339      4.32269369
  O     -4.38368563     -1.81132907      4.43484950
  H     -4.79109744     -0.13725859      1.43585290
  H     -5.23721043     -0.11824517      4.62317333
  O     -3.04876283      1.07071158     -1.00991232
  H     -5.32586756      1.26741152      1.00966302
  H      0.06312882      4.64574107      2.43397358
  O     -6.81680854      2.22476648      0.63261657
  H     -8.06594614     -0.28046865      2.17169451
  H     -1.38248790      5.14359696      2.17552897
  O      1.16068090      2.50103796      0.26244699
  H     -8.92237728     -1.52025242      1.83253612
  H      1.26569417      2.89979451      1.96250595
  O     -2.95196227      3.83758709     -0.64185628
  H     -3.81390153      1.61290878      2.63758890
  H      2.04642144      3.20353173      3.26468891
  O     -5.44564635      4.57969608      0.46165174
  H     -2.49391620      1.79816510      3.41175510
  H     -8.43149388      1.74883765      3.69027051
  O     -5.59691621      0.77427697      4.55907562
  H     -5.05608814     -0.95417848     -3.16763445
  H     -7.02968590      1.09747980      3.66101227
  O     -0.45267597      5.31300766      1.96633387
  H     -5.65024957     -0.51008375     -1.81332128
  H     -1.67394386     -1.80657310      2.58457563
  O      1.16652457      3.12241034      2.90679619
  H     -5.11100936     -1.93009382      2.75381596
  H     -1.48940861     -0.54896221      3.45377567
  O     -7.83077841      1.26358386      3.13073805
  H     -6.34195173     -1.71634402      1.81383734
  H     -0.76127018     -0.55461225      0.43040304
  O     -1.91702941     -1.41474517      3.43199690
  H     -3.47422768     -1.65779246      4.11749652
  H     -1.46278577      0.65220974     -0.23699002
  O     -0.70493068      0.40137131      0.30899775
  H     -4.32191819     -2.44731550      5.14221369
  H     -7.49971847     -0.57772720     -0.20802298
  O     -7.10050473     -0.06300914     -0.91619239
  H     -3.53672287      0.51868174     -1.63033452
  H     -7.06154932      0.83756879     -0.56272524
          69
 Energy    -248.89686729916065     
  O     11.86190988     11.16266079    -14.71682257
  H     12.31737091     11.95810600    -14.42001824
  H     18.24880255      8.17332162    -13.16414932
  O     16.84684678     10.51718559    -10.88972863
  H     12.48454282     10.68779705    -15.28540961
  H     16.14076886     12.78101139    -15.40455504
  O     17.46192186     11.65831464    -14.77268438
  H     17.62093389     10.76842071    -11.40794311
  H     15.18058698     12.63268159    -16.59500780
  O     12.85949539      7.17131264    -16.95625797
  H     16.07099008     10.94253509    -11.28378692
  H     15.85827524      8.96066941    -13.68048053
  O     14.09971210      7.78041469     -9.43740980
  H     16.81055288     10.96352906    -14.58051824
  H     14.95691308      9.53143172    -14.85099212
  O     13.78194379      6.77884357    -13.01448002
  H     18.10931752     11.60989129    -14.06213216
  H     11.00264684     10.03034934    -13.76705765
  O     14.54042647     11.35756194    -12.20393409
  H     12.41829139      6.70480233    -17.65990320
  H      9.71611182      9.60196863    -13.01595762
  O     17.53164302     10.27271803    -17.21399206
  H     12.29648625      7.08574601    -16.16429869
  H     12.24267168      6.75726253    -14.03660998
  O     15.35934419      5.90452059    -10.87453770
  H     13.59499226      8.27815307    -10.09410202
  H     11.08729841      7.75969239    -14.19653368
  O     17.72295176      7.62740375    -16.20430628
  H     14.68658166      8.41164321     -8.99789031
  H     20.00006186     11.15184912    -12.34788326
  O     15.25130936      6.75899134    -15.43366768
  H     13.55311584      7.62157312    -12.59634519
  H     19.13273493     10.06733109    -13.03074050
  O     18.94726406      8.49517692    -13.75425194
  H     14.24872908      6.27125687    -12.34015845
  H     16.72138508      8.76725433    -11.62087407
  O     15.31975760     13.12877355    -15.78089496
  H     14.87036920     10.81081863    -12.93657906
  H     16.32936842      7.26209036    -11.73807134
  O     15.57279812      9.75722688    -14.14252447
  H     14.14988120     12.13796410    -12.61273579
  H     16.33177429      9.99036988     -9.23502580
  O     10.60871673      9.33160628    -13.21201350
  H     17.70135352     10.80522241    -16.42486700
  H     16.04800047     10.28689942     -7.75447782
  O     11.51497340      7.00812923    -14.62363597
  H     17.60424925      9.35198784    -16.93307393
  H     15.18327877     11.53065044    -18.94434686
  O     19.10353931     10.93770649    -12.59136229
  H     15.61447986      5.14282315    -10.36331824
  H     16.04523108     10.91514875    -17.81453606
  O     16.72448013      8.00226813    -12.21140867
  H     14.89833439      6.51511789    -10.26830853
  H     13.42124756      9.93283401    -11.78146205
  O     15.93003677      9.62502522     -8.43120728
  H     16.84783044      7.32149575    -15.90894425
  H     12.08443252      9.19545748    -12.07964935
  O     15.17196588     11.29693742    -18.02059320
  H     18.12303730      6.89234399    -16.66292443
  H     14.11250488     13.33223512    -14.55714046
  O     12.94695198      9.10070224    -11.65630170
  H     14.52334370      6.80238607    -16.06460005
  H     13.20388692     14.28872833    -13.75056639
  O     13.44942487     13.37253937    -13.84398374
  H     14.83227773      6.72636272    -14.56387924
  H     14.15240833     10.23279657    -16.93280738
  O     13.71278593      9.73106609    -16.23383659
  H     18.65727421      8.24882027    -14.63949397
  H     13.41168190      8.89153046    -16.60219593
          69
 Energy    -248.89677479072489     
  O     12.04387818      6.53965266    -11.70328381
  H     12.57353528      5.79331744    -12.00675814
  H     14.27860670      6.06909970    -15.00484385
  O     17.35060026     10.05303959    -15.08357892
  H     12.55128294      6.94382987    -10.98468237
  H     16.49813417      5.65070508    -14.14273663
  O     17.60538122      8.41083807    -12.87216460
  H     16.50862973      9.81424097    -15.49561921
  H     18.01086635      5.68595243    -14.46427379
  O     16.67465112     12.49413944    -13.83318502
  H     17.23371520     10.93232353    -14.70300045
  H     14.55546112      8.05205352    -11.70181821
  O     13.80236670      7.84510216    -10.00256427
  H     17.61426235      8.97953301    -13.65417594
  H     15.79214749      8.37713435    -12.60519903
  O     14.88853651      9.44420894    -16.35104793
  H     17.62686722      7.49383410    -13.17650327
  H     14.07986582     11.14317293     -9.81297199
  O     14.16481639     11.72359655    -15.01724160
  H     16.36911938     12.25041526    -12.94237855
  H     12.96910730     10.62416655    -10.72624532
  O     16.35554167      5.40529178    -17.21861344
  H     17.10176201     13.34314058    -13.75435476
  H     14.17654166      4.64838307    -13.41764064
  O     11.14660665      8.48146220    -13.36447264
  H     14.60681675      7.57852980     -9.54072287
  H     13.59738762      3.51919962    -12.53962473
  O     16.24036191      5.32411876    -11.19641294
  H     13.62565164      8.77106563     -9.78485541
  H     13.78498414      9.74377604    -12.67104359
  O     13.43975046      7.64847829    -14.81704585
  H     14.35481383      8.77860153    -15.89591673
  H     12.28869579      9.95642719    -12.91252192
  O     14.84325061      5.28548023    -14.94484515
  H     14.57830570     10.30583252    -16.03540914
  H     16.36386899      6.42086450     -9.85087648
  O     17.37041472      5.78951511    -13.74914348
  H     14.97093953     12.13440890    -14.68146217
  H     16.72654377      6.67006933     -8.36730824
  O     14.82990827      8.32151920    -12.58767424
  H     13.69050782     11.40012424    -14.24147493
  H     19.82932122      5.40938468    -16.29501688
  O     13.30279552     10.57798154     -9.82014193
  H     16.24612939      6.25066893    -17.67140579
  H     18.93569415      6.67296331    -16.32381495
  O     13.83746493      4.44320955    -12.53027274
  H     17.27246895      5.38649547    -16.91804620
  H     16.85321907      8.80115405     -9.86672541
  O     13.09564249     10.42836100    -12.66967259
  H     10.19922262      8.43549741    -13.45800863
  H     17.44756734      9.18984014    -11.22584447
  O     16.33543546      7.08029938     -9.13373005
  H     11.40328634      7.77104641    -12.74705187
  H     15.91242992      8.33907243    -19.19775192
  O     18.96988294      5.73915477    -16.04781261
  H     15.38852953      4.99974515    -11.51133190
  H     15.68057168      8.59222377    -17.69146593
  O     17.06153887      9.56219846    -10.41925660
  H     16.78693119      5.41701683    -11.98692336
  H     16.10375636     10.91751600    -11.05906766
  O     16.18524935      8.05802061    -18.32795231
  H     12.54171371      7.87714095    -14.55467441
  H     14.76842398     11.27164720    -11.78239530
  O     15.60059012     11.64036362    -11.47050208
  H     13.98507391      7.80892310    -14.02769723
  H     17.89745291      8.24285315    -17.50434120
  O     18.63164643      8.29551412    -16.87896754
  H     15.29886979      5.20311214    -15.79552430
  H     18.38021539      8.98163752    -16.24750734
          69
 Energy    -248.89676266115680     
  O     11.25948420      8.98782537    -15.03927972
  H     11.53354312      9.91255943    -15.01735952
  H     19.47849459      8.66428837    -14.99142220
  O     16.95474928      7.29901261    -13.48433988
  H     11.85596850      8.52478298    -15.63859771
  H     14.39313100     11.11799511    -16.81240163
  O     16.28622152     11.52934532    -11.85504121
  H     17.41183845      8.00212534    -12.99626811
  H     15.06760808     12.11563513    -15.84218914
  O     16.60301719     11.78831728    -14.66370418
  H     16.27033074      6.94520102    -12.90161462
  H     15.88795044      8.55507858    -14.27376201
  O     14.48204734      8.87026152     -8.89457983
  H     16.32297325     11.44789691    -10.89351080
  H     15.12153305      9.23452494    -15.46642314
  O     14.92195609      6.56361199    -11.77512836
  H     15.37898223     11.30030079    -12.10321069
  H     10.99137418      8.04612291    -13.60910628
  O     13.77702853     10.65226482    -12.78085607
  H     16.63147464     12.03123674    -13.73186080
  H     10.04057995      7.19671326    -12.72940787
  O     17.36775811      8.87784494    -17.50398783
  H     16.24610279     10.88546726    -14.66678434
  H     17.52222200      9.49616132     -9.31894268
  O     16.25985697      6.63260793     -9.30802348
  H     13.84167886      8.77669224     -9.61313532
  H     18.21573031      8.88914138    -10.54359811
  O     18.56551796     11.30199974    -16.51510052
  H     15.00073294      8.05694628     -8.90038955
  H     12.38507375      6.41475248    -13.57521439
  O     18.58804491      7.07169617    -15.66167515
  H     14.27115641      7.26080647    -11.60876527
  H     13.85423404      6.06969078    -13.29559971
  O     19.68223985      9.51962430    -14.59368529
  H     15.38564672      6.43263546    -10.93817327
  H     18.78904795      9.59357015    -13.03471400
  O     14.27204442     11.96975648    -16.36709188
  H     13.13184236     11.12237381    -13.32105497
  H     17.57863446     10.19548800    -12.22821164
  O     15.36071359      9.31821615    -14.53501723
  H     14.29045000     10.10496706    -13.39845136
  H     16.18817262     11.48036000     -8.30892502
  O     10.95243239      7.45212891    -12.83723868
  H     17.81529682      9.70451649    -17.28486328
  H     15.55455251     10.24864308     -8.99642398
  O     17.97928634      8.70322319     -9.62402502
  H     17.78694322      8.19883415    -16.96124579
  H     14.16487713      8.54098743    -17.14128824
  O     13.19175020      6.09006605    -13.99585007
  H     16.60572264      6.00398529     -8.68048686
  H     15.60807476      9.09593253    -17.46416979
  O     18.18588266      9.44743386    -12.29113134
  H     16.94078759      7.32067740     -9.42039950
  H     13.22387925      9.32346333    -11.72275945
  O     16.24050199     10.93436469     -9.08891447
  H     17.89460219     11.58220228    -15.86982275
  H     12.20581849      8.15562582    -11.65697096
  O     14.69768153      9.34098648    -17.23203382
  H     18.85494057     12.08835574    -16.97069504
  H     12.84298116     11.85297647    -15.39070534
  O     12.98757972      8.52455520    -11.22877949
  H     17.98789207      7.03145686    -14.89755588
  H     11.51049634     12.45185319    -14.88155921
  O     12.09513670     11.70515120    -14.78438285
  H     18.97835046      6.20589893    -15.74976783
  H     13.19649683      6.78847054    -15.61534207
  O     13.05133203      7.20889094    -16.48105574
  H     19.44670188     10.17621491    -15.26022924
  H     12.65647707      6.54258080    -17.03868714
          69
 Ord_Energy   -248.896332    
 O  -0.474216938      -3.15051413      0.239895612    
 H  -0.744556725      -2.29955745      0.623492837    
 H   0.399233550      -3.02635550     -0.122940317    
 O   -6.00551844     -0.610892951       4.31278324    
 H   -5.05987358     -0.741906881       4.48043966    
 H   -6.44996500     -0.760972381       5.16040468    
 O   -4.70520496      -5.53200960     -0.328228295    
 H   -4.87676954      -6.12654638      -1.05324471    
 H   -4.05522966      -4.87999153     -0.647488475    
 O   -3.40279222      -1.28269303       4.74227190    
 H   -3.37018514      -2.05933905       5.32119703    
 H   -2.49895954     -0.967379987       4.62952995    
 O   -6.37419653      -1.01923001     -0.232104197    
 H   -6.33909607      -1.89467072      0.179822713    
 H   -6.30509472     -0.383176863      0.490275770    
 O   -1.58197320      -4.69897938       2.38856697    
 H   -1.20184612      -4.39627171       3.22809553    
 H   -1.06891286      -4.31432199       1.66992223    
 O   -6.65144062      -5.21336079       6.87644005    
 H   -6.09564114      -5.38239479       6.10255766    
 H   -7.45929670      -4.81161642       6.53257179    
 O   -5.28102207      -3.24558067       8.14745235    
 H   -5.27682209      -3.35202169       9.09508896    
 H   -5.78210402      -3.99819493       7.78284645    
 O   -2.97201109      -3.59779954      -1.13036811    
 H   -2.09485030      -3.48559070     -0.748079956    
 H   -3.31093383      -2.71224689      -1.31262374    
 O  -0.815444410      -3.60023403       4.77783203    
 H  -0.666596889      -2.65687323       4.64613724    
 H   -1.56874740      -3.67669940       5.37861967    
 O   -4.08444929      -1.01108706      -1.66657901    
 H   -4.24472904     -0.741046607      -2.56755042    
 H   -4.95187521      -1.02781546      -1.22252178    
 O   -5.84280443      0.777947009       1.92831874    
 H   -5.93720722      0.309347868       2.77317929    
 H   -6.29461813       1.61233115       2.03695345    
 O   -3.56732368      -2.71864986       2.33695388    
 H   -3.58282351      -2.28710675       3.20079708    
 H   -2.99335313      -3.49507785       2.40239739    
 O   -3.32493114      -3.62678838       6.15191031    
 H   -3.85910606      -4.19728708       5.57744837    
 H   -3.85302591      -3.47323418       6.94491100    
 O   -3.90103054      -6.23344326       2.35763216    
 H   -3.00037026      -5.87973785       2.37107801    
 H   -4.21230793      -6.10806847       1.45428240    
 O   -1.60174406     -0.979234338       1.49309981    
 H   -2.05609083     -0.219041020       1.10315311    
 H   -2.30896616      -1.60346043       1.71948659    
 O   -8.68164825      -3.65552878       5.61892557    
 H   -9.58627892      -3.75994444       5.33633566    
 H   -8.14914227      -3.53193784       4.81372547    
 O   -3.33478665      0.807633996      0.423021078    
 H   -4.13466787      0.842089295      0.961369634    
 H   -3.55597162      0.268833995     -0.348370254    
 O   -5.06509304      -5.06527138       4.55674601    
 H   -5.68286705      -4.41980457       4.19118500    
 H   -4.69737387      -5.56430912       3.81320953    
 O   -7.08354425      -1.50210488       6.67669535    
 H   -7.74767542      -2.16358471       6.44646883    
 H   -6.43729544      -1.96521211       7.22322559    
 O   -6.94658375      -3.16390371       3.56214929    
 H   -6.62799978      -2.27703190       3.77841330    
 H   -6.74402809      -3.31899691       2.62951469    
 O  -0.715103745     -0.772545457       4.09305096    
 H   -8.50256532E-02  -7.09529221E-02   4.23556709    
 H  -0.922362089     -0.778310776       3.14355421    
 O   -5.90130043      -3.42759919       1.05626059    
 H   -5.07110548      -3.13704371       1.46835375    
 H   -5.68073368      -4.21334934      0.543152273    
          69
 Energy    -248.89582776178418     
  O     17.62345925      8.46531518    -12.00089896
  H     17.05542020      9.19849328    -12.28252534
  H     15.40942586      9.26017283     -7.31041325
  O     12.45876631     12.74970177    -11.74948796
  H     18.12815340      8.79337666    -11.24577088
  H     13.74763604     11.84599517    -10.79340319
  O     19.07978990      7.72414556    -14.17031991
  H     12.90311323     12.83527313    -12.61286286
  H     13.98572091     10.36544841    -10.36596178
  O     11.72239475     10.04380596    -12.40608036
  H     11.97152676     13.55604314    -11.60700251
  H     18.39101054      8.35641384     -8.75313395
  O     15.27234596      6.98924199    -11.59355712
  H     19.46196083      6.85722451    -14.06473287
  H     17.35071323      8.44984271     -7.63227002
  O     18.93496069      9.71729624     -9.93142757
  H     18.57131837      7.91110308    -13.36106731
  H     17.12318440     12.41654817    -14.54669166
  O     20.45073590     11.39414142    -11.60244265
  H     12.00161699     10.02680585    -13.32875533
  H     17.07857928     12.90819402    -13.05352986
  O     16.84522286     11.40525842     -9.19599623
  H     11.80143710     10.96691754    -12.13472357
  H     16.68541272      6.62282211     -8.74687789
  O     17.02996148      8.87539611    -15.75546225
  H     15.39705549      6.51170408    -10.76354938
  H     16.11712813      5.19171019     -8.61041418
  O     14.75889136      8.30783437    -14.11240253
  H     16.11075856      7.45300018    -11.73314944
  H     15.28422626     10.65423483    -11.92151744
  O     12.89682638     10.10652195    -15.03948909
  H     19.57495878     10.24383632    -10.42574670
  H     16.08391173     11.17237723    -13.14232814
  O     16.15255568      9.79005741     -6.96910971
  H     18.21707393     10.31992038     -9.68189062
  H     19.86550373      9.45946628    -14.15710056
  O     14.40914408     11.23257328    -10.44952911
  H     21.32112344     11.78051893    -11.55523386
  H     19.44951509     10.83957190    -14.69445476
  O     17.84135526      7.81619538     -8.17137303
  H     20.34841665     11.04077080    -12.50397927
  H     17.61440044     10.52593604    -15.85540897
  O     16.54505654     12.74920624    -13.84849357
  H     15.98228937     11.40865102     -9.63681324
  H     18.17280474     11.67151688    -16.73199172
  O     15.94886021      6.04148999     -9.00903166
  H     16.68329976     10.98420354     -8.34215354
  H     13.89650545      8.12885144    -10.99003652
  O     15.79055505     10.37066359    -12.69278803
  H     17.74322814      8.37552577    -15.33705281
  H     12.64653997      9.05120934    -11.21173770
  O     20.06084850     10.40202339    -14.08983450
  H     16.21843036      8.59170594    -15.31832449
  H     18.85098281     12.44336930    -11.52972687
  O     18.03049089     11.40606163    -15.82686707
  H     15.08618922      9.09203775    -13.63681076
  H     17.58688188     12.52760245    -10.66272373
  O     13.27476283      8.72388290    -10.55112395
  H     14.76289835      7.60339614    -13.45669635
  H     13.53759927     11.88940200    -14.53442363
  O     17.97393704     12.84356537    -11.48708612
  H     13.50269626      9.38347275    -14.80950500
  H     14.69241903     12.84041667    -14.10654317
  O     13.73080440     12.74461639    -14.13204852
  H     12.49675282      9.87198571    -15.87360414
  H     14.73539080      7.33321780     -8.24549670
  O     14.25806480      8.13601808     -8.00262118
  H     15.95621668      9.97893968     -6.05541725
  H     13.75216755      8.37512480     -8.79069297
          69
 Energy    -248.89576262429296     
  O     -3.23289531      0.00805752      3.51874977
  H     -3.32966778      0.04964452      4.48089129
  H     -3.39207242     -3.47012533      5.37014932
  O     -3.17081757      3.14430936      6.32595059
  H     -2.77181243     -0.81430837      3.30074355
  H     -0.96526143     -3.33346450      8.92213633
  O      3.02161898     -1.88484967      2.36246755
  H     -3.72170168      3.78477207      6.76825776
  H     -0.86789592     -3.30205032      7.37822374
  O      2.15557997      0.72728020      1.61819495
  H     -3.09677543      3.43077578      5.39815881
  H     -0.00555074     -0.21434999      6.74869592
  O     -0.38432189     -0.37270282      1.38869084
  H      3.92154411     -1.89371178      2.68404318
  H     -0.81096346     -1.00833928      7.80957343
  O     -1.74399671     -2.30310932      2.94151964
  H      2.86935638     -0.98022239      2.05480171
  H     -1.36163260     -4.26889235      5.42711312
  O     -3.75629858      2.03078415      1.74526282
  H      1.96530899      1.60772339      1.27462446
  H      0.06311141     -3.71064397      5.23840364
  O     -2.86168894      3.86309821      3.74099648
  H      1.34695512      0.21911325      1.45284133
  H     -1.32832366      2.91299710      6.81447422
  O     -0.12455815      3.84308486      3.23808614
  H     -0.85591226     -1.17803785      1.62528018
  H     -0.44912381      1.75477173      7.31553696
  O      1.01529474      3.22446701      0.73890993
  H     -0.43455574      0.18718717      2.18180868
  H     -2.90440589     -2.56692533      7.34918074
  O      0.83400793     -2.57631004      3.97900172
  H     -0.84430795     -2.40641113      3.28707794
  H     -3.67683506     -1.45746552      6.61364116
  O     -3.12399451     -4.05563489      4.63933950
  H     -2.27867797     -2.96781761      3.39334721
  H     -0.58128580      2.07805930      3.54799498
  O     -1.17957664     -2.80647192      8.15722238
  H     -3.65452768      1.26358428      2.33430258
  H     -1.61970000      0.91702871      3.73121142
  O     -0.69488002     -0.13082943      7.42644777
  H     -4.62722352      1.96599659      1.36062286
  H      0.89939686      3.24408646      6.01365696
  O     -0.52263976     -4.13038219      5.88285399
  H     -3.22610810      3.34155023      3.01648098
  H      2.08689801      4.22821670      5.92467368
  O     -0.41589190      2.67055145      7.01163766
  H     -1.93156729      4.01854830      3.52531444
  H      2.61594877      2.15954838      4.61481943
  O     -3.64243600     -2.41322823      6.74531658
  H      0.34493856      3.74106715      2.40065350
  H      2.76594686      1.21153276      3.39617563
  O     -0.67962944      1.12910128      3.68808016
  H      0.52965124      3.87615110      3.94954688
  H     -1.05621895      1.06109776      0.41839284
  O      1.58490590      3.59550999      5.41704058
  H      1.29532781      3.78308258      0.01852504
  H     -2.17195723      2.09195125      0.64659019
  O      3.04925118      1.35258025      4.30888625
  H      0.16429347      2.82927030      0.47323867
  H     -3.32116584      1.28741268      6.33324478
  O     -1.32515049      1.96581377      0.20380108
  H      0.91408610     -1.78906518      4.53820061
  H     -2.31153885      0.15888602      6.63908163
  O     -3.18263495      0.33555385      6.25327152
  H      1.56707916     -2.51754078      3.35388567
  H      1.89100618      0.21181580      5.13440789
  O      1.04022622     -0.19951335      5.33519872
  H     -3.79298930     -4.73087742      4.56748879
  H      0.39482159      0.27505436      4.78705924
          69
 Energy    -248.89546873680086     
  O     14.63107209      6.09875803     -8.73625981
  H     15.33769636      5.73905303     -9.29147664
  H     13.08226989      8.34431163    -13.92934020
  O     13.80482421      7.17616212    -16.54593798
  H     13.82000015      6.02617409     -9.25191515
  H     16.50766016     10.74538958    -12.79104556
  O     17.42322508      8.43648289    -14.96985184
  H     13.18860115      7.51193841    -15.87366985
  H     17.10747920      9.48421986    -13.53091700
  O     15.58624306     12.31572239    -12.94209183
  H     13.27435882      6.84886197    -17.26814282
  H     15.23879180      8.98766169    -12.83415008
  O     10.70668220      6.67835714    -12.84419690
  H     18.34805627      8.17536523    -14.87654510
  H     14.00012129      8.74057081    -11.93905274
  O     18.89059812      4.38607222    -11.79231198
  H     16.90148870      7.62180979    -14.93937202
  H     19.93330186      7.39641926    -13.42117176
  O     17.42671372      8.26027734    -10.50416605
  H     15.15258022     12.18217821    -13.80617950
  H     20.85790125      7.63363923    -14.64034006
  O     13.10506029     11.43798293    -11.70917036
  H     15.89442412     13.21748525    -12.92405426
  H     15.38359992      5.62870212    -11.86303218
  O     18.45984505      4.97883028    -14.40556187
  H      9.94574617      6.10927710    -12.76154221
  H     14.63689003      6.76648376    -12.61692729
  O     14.29075032     11.79305026    -15.22251345
  H     11.23971686      6.52628714    -12.04855040
  H     16.18172767      9.30177814    -16.09282563
  O     11.75550357     10.91196210    -14.21920338
  H     18.71334855      4.51373919    -12.74172790
  H     14.83959240      8.81979890    -16.66245353
  O     12.29762859      8.20909571    -14.48540622
  H     19.35987864      3.56088534    -11.70697148
  H     15.21282894      6.32515946    -15.61207741
  O     16.82703359      9.84100498    -12.67580331
  H     17.23684338      8.85779207    -11.24300492
  H     15.45903699      5.82869893    -14.16615190
  O     14.40698797      8.50370413    -12.78434334
  H     16.84213480      8.51505790     -9.78068094
  H     19.56595354      6.18740091    -11.60349929
  O     19.95951774      7.43139467    -14.39447663
  H     12.57846881     11.31041942    -12.50799596
  H     19.06675406      7.59148112    -11.19928717
  O     14.67918544      5.80279442    -12.50366548
  H     13.95344074     11.78395648    -12.01074616
  H     12.69682185      7.33302165    -10.56643510
  O     15.37284732      9.60968176    -16.52178990
  H     19.02493592      5.74781857    -14.55111463
  H     13.22058730      6.08752829    -11.35489270
  O     15.90387118      6.05539844    -14.99504056
  H     17.57954922      5.23024451    -14.71340780
  H     17.40874338      5.05296415    -10.92431220
  O     19.74894305      7.13008548    -11.70325811
  H     13.38427995     11.55020902    -15.00310178
  H     16.95512200      6.50160351    -10.59363591
  O     12.53142062      6.39493010    -10.74732921
  H     14.65859580     11.06470860    -15.74528959
  H     15.50305597      8.98221174     -7.62168667
  O     16.66677963      5.57654256    -10.59870656
  H     10.85940543     11.13493834    -14.45923834
  H     15.13640461      7.75782862     -8.49600694
  O     15.41980961      8.69005311     -8.52568386
  H     11.85548654      9.95825858    -14.36895595
  H     13.13937773      9.98213529    -10.68075718
  O     13.27356352      9.08377629    -10.33952796
  H     11.68279500      7.65521104    -13.98248608
  H     13.98508825      9.10828494     -9.68797422
          69
 Energy    -248.89530049189835     
  O      0.94661530     -1.74923940      5.11011326
  H      0.69206919     -0.82083771      5.26148229
  H     -1.00968321      4.64816014      1.27533299
  O      2.39577728     -1.43753411     -2.05760283
  H      1.59070877     -1.96889613      5.77822771
  H     -3.07163875      0.39833035      5.50574520
  O     -1.77982414     -2.58631635      5.11837456
  H      3.01595155     -0.97472547     -1.46848912
  H     -2.84621610     -1.13106514      5.21066277
  O     -0.01761161     -0.16544664     -1.24007638
  H      2.86219686     -1.60885542     -2.87161056
  H      0.73798646      1.24132115      2.21929932
  O      1.15615083     -3.45046501     -0.37675183
  H     -1.88895519     -2.84077340      4.19512669
  H     -0.15491977      2.51709030      2.41175144
  O     -3.13447736      3.10041224      3.59346558
  H     -0.84329022     -2.37289315      5.21676297
  H     -2.33424109      1.75222537     -0.38605512
  O     -4.76890423     -2.88008456      1.73406685
  H     -0.59986582     -0.91688330     -1.05538621
  H     -0.93424442      1.45913428     -0.95564447
  O      0.18063428      0.82170497      5.43890501
  H      0.75047115     -0.52197341     -1.70350447
  H     -1.26138899      0.61393394      2.70681946
  O      3.84472317     -0.10534056     -0.17122661
  H      1.28911015     -3.20428256      0.54604264
  H     -2.51255414      0.00503350      3.40955745
  O     -5.45155842      1.97608262      2.31405905
  H      1.68172661     -2.83928086     -0.90748914
  H     -0.57354883     -2.96005934     -0.64666430
  O     -5.53187680     -0.54788859      3.27395217
  H     -3.93351625      2.76662532      3.16730171
  H     -1.68211134     -2.57740291      0.34605846
  O     -1.20148892      3.75231406      1.53901329
  H     -2.53150202      3.35736241      2.88635705
  H     -0.11308987     -2.65801950      2.29307240
  O     -3.39119668     -0.35830151      5.00033513
  H     -5.35675705     -3.62299524      1.62482735
  H      0.97305002     -2.25276027      3.30957830
  O      0.21864479      1.74825515      2.85953199
  H     -4.64147411     -2.48664947      0.85136455
  H     -2.61303753      2.47433516      5.14324409
  O     -1.49424106      2.17102934     -0.62367563
  H      0.31057534      1.22579007      4.56771752
  H     -2.61468938      2.63964568      6.68076544
  O     -2.01761347      0.03004966      2.57886740
  H     -0.62942331      1.21820647      5.77722666
  H      1.24270198     -0.85237018      1.58887688
  O     -1.41771210     -2.48950262     -0.57804299
  H      3.07116863      0.00551795      0.40569307
  H      0.87361458     -0.00135903      0.33933453
  O      0.82231612     -2.43037282      2.37122380
  H      4.58303955      0.27994499      0.29227889
  H     -1.97239833     -1.69194796      2.32540000
  O     -2.35415432      2.04768661      5.98031358
  H     -6.32653291      2.35207120      2.27305020
  H     -2.95714989     -2.87508925      2.11646681
  O      1.41855753     -0.01388612      1.13902864
  H     -5.55019391      1.07289530      2.66818363
  H     -3.25640518     -1.99811764     -0.86322064
  O     -2.02021664     -2.65689332      2.21128785
  H     -4.87662008     -0.52970092      3.98748717
  H     -4.03741621     -0.76585089     -0.35443633
  O     -4.13709735     -1.69422326     -0.61008548
  H     -5.35012422     -1.34446273      2.76380761
  H     -3.06162846      0.53630484      1.18398448
  O     -3.65833349      0.83806692      0.48188121
  H     -1.29237687      3.23228414      0.71979845
  H     -4.36624266      1.31099947      0.93484293
          69
 Energy    -248.89457168311472     
  O     12.25049467     11.19108409    -15.76343350
  H     12.86239742     11.85304777    -15.41887800
  H     14.68666385      5.61587157    -15.45562257
  O     14.66155041      6.27129224    -13.80534089
  H     11.72501755     10.87620282    -15.01814324
  H     17.57003509      6.26400829    -14.26322755
  O     17.10377700     10.58162136    -11.84314766
  H     15.55679819      6.35923143    -13.45473856
  H     17.57708250      7.65162446    -13.59716337
  O     17.51207226      9.47818910    -14.27446268
  H     14.02227679      6.42671708    -13.09827403
  H     16.41497790     11.27197889    -16.68805992
  O     12.53091165      6.77887141    -16.96628324
  H     17.04716381     10.10449164    -11.00696402
  H     17.01913091     11.16449208    -15.27843217
  O     13.97718605      8.78758397     -9.25875943
  H     16.19380633     10.82131027    -12.06833762
  H     14.43912607      9.07009741    -15.50071516
  O     12.66476633      6.87912673    -12.03215010
  H     16.58201289      9.27329558    -14.46758121
  H     14.70626670      7.99367123    -14.40525258
  O     14.49053451     10.95180538    -12.80567408
  H     17.53197665      9.89362209    -13.39793401
  H     10.82717421      9.08603842    -14.01006788
  O     17.99033048      8.38698909    -16.81410433
  H     13.35780877      6.27777756    -16.84669331
  H      9.72026756     10.11718153    -13.68861523
  O     14.07462479      5.96607646     -9.81103156
  H     11.98717719      6.27148581    -17.56351214
  H     17.00476861      6.52963177    -11.57576531
  O     17.68133573      5.79075581    -16.11864573
  H     13.36667316      9.15256990     -9.91164997
  H     16.74287133      7.40131952    -10.32315843
  O     14.82318677      5.47448606    -16.40600549
  H     13.89482498      7.82758103     -9.31927663
  H     11.70827732      7.17089259    -15.24933448
  O     17.41885129      6.71574200    -13.42244481
  H     12.61282197      7.82727993    -11.84403482
  H     11.69405142      7.05783311    -13.69664318
  O     16.51623554     11.74940929    -15.85475736
  H     13.01281003      6.45860000    -11.23536142
  H     17.04110866      9.30221054     -8.61890838
  O     14.84248301      8.92019471    -14.63803526
  H     14.56194665     10.21609478    -13.43453358
  H     15.70716204      9.07157138     -9.36580648
  O     10.66588758      9.99128686    -13.68617540
  H     14.38016250     11.74709328    -13.34000879
  H     15.19512497      9.78904194    -17.84707638
  O     16.56859773      6.53581110    -10.71604628
  H     17.38144476      8.90763423    -17.35123900
  H     16.02939743     10.31912446    -19.03677875
  O     11.25249604      7.46438714    -14.45297719
  H     18.02294856      8.82479030    -15.95255833
  H     11.73230929      9.81385649    -12.12128224
  O     16.67458733      9.09200249     -9.47403701
  H     14.09115128      5.19918043     -9.24542753
  H     13.20692875     10.14997273    -11.86620852
  O     16.08551396     10.07367506    -18.11681323
  H     14.98088046      6.08779555    -10.14854579
  H     15.11074363     12.55892026    -15.19358400
  O     12.46452013      9.63184274    -11.51988878
  H     18.38018895      5.26203285    -16.49511282
  H     14.40197503     13.87542194    -14.79673696
  O     14.30789842     12.92683688    -14.78245460
  H     17.81250902      6.69921492    -16.44521325
  H     13.19018258      8.48675019    -17.17943921
  O     13.65387740      9.33262863    -17.14988073
  H     15.77862522      5.51690799    -16.51366986
  H     13.07011519      9.99751020    -16.74992226
          69
 Ord_Energy   -248.894287    
 O   -5.59256077       1.94794631       2.18963194    
 H   -5.19213438       2.72945213       1.76894343    
 H   -6.28790331       2.27021861       2.75681853    
 O    2.50731087      0.426109105      0.276145965    
 H    2.12562990     -0.334141910      0.751475692    
 H    3.39109921      0.172204658       2.38384996E-02
 O  -0.903224111      -2.00246334     -0.332606524    
 H  -0.611052752      -1.14039600     -0.662129819    
 H   -1.53627551      -2.33792090     -0.979653299    
 O  -0.277308196      -2.01835370       3.75441813    
 H  -0.288822532      -2.70920563       4.41179609    
 H   -1.07118595      -2.14334202       3.20556450    
 O    1.30861771      -1.72154427       1.40186203    
 H   0.622770965      -1.99418652      0.777115881    
 H   0.912898183      -1.81481099       2.27611327    
 O    6.87770620E-02  0.478067726      -1.12169647    
 H   0.971699297      0.548096955     -0.790523708    
 H    2.87666693E-02  0.821291327      -2.02341104    
 O  -0.894473553      0.766052186       4.00605965    
 H   -1.76450908      0.724618673       3.58419514    
 H  -0.569000959     -0.140329838       4.02254868    
 O   -4.63277102      -2.17754173      0.140884206    
 H   -4.01058149      -2.31258464      0.863400936    
 H   -4.13312101      -2.34770679     -0.666883588    
 O   -2.41006255      -2.08767962       2.02641487    
 H   -1.90540218      -2.03253245       1.20083976    
 H   -2.76996827      -1.20524049       2.20636106    
 O   -4.35455751       4.08626223       1.01988363    
 H   -3.43421769       4.19440699       1.29479361    
 H   -4.34894657       4.20457697       6.30092993E-02
 O   -3.20900607      0.513976514       2.47974586    
 H   -2.78667712      0.843085051       1.67058659    
 H   -4.07579803      0.933374047       2.51950312    
 O  -0.449522436       1.55729938      -3.62891603    
 H  -0.781954408       2.40575814      -3.28223681    
 H   -1.53153501E-02   1.74916637      -4.45530748    
 O   -2.03718758       1.59338021      0.261895359    
 H   -1.24445140       1.25857937     -0.176543593    
 H   -1.84707785       2.47455764      0.606790662    
 O   0.223316327       3.12409425       3.39585114    
 H  -0.144364178       2.25363827       3.63349199    
 H   0.488421470       3.53957582       4.21200991    
 O   -4.07894325       4.15739918      -1.85415900    
 H   -4.74278259       4.48718023      -2.45471787    
 H   -4.17467117       3.18754292      -1.83690500    
 O   -1.31294549       3.86783123      -2.54040718    
 H  -0.753633201       4.23852777      -1.84669960    
 H   -2.22738838       4.05890512      -2.30046988    
 O   -1.57843673       4.10391331       1.45962203    
 H  -0.988690555       4.51340485      0.813520670    
 H   -1.02724576       3.82661271       2.20305395    
 O    1.73383200       3.05496454      0.996038675    
 H    1.30593169       3.01612830       1.86131394    
 H    2.04994297       2.16467738      0.803751290    
 O   0.339751661       4.85478640     -0.454645574    
 H   0.901121557       4.19701529      -4.87062987E-03
 H   0.857298732       5.65230989     -0.529804945    
 O   -2.92946672      -2.59323764      -2.16370654    
 H   -2.87795568      -1.74299002      -2.63638997    
 H   -3.13946724      -3.25721812      -2.81471133    
 O   -2.75438929     -0.165458143      -3.34669638    
 H   -1.97196233      0.355660379      -3.55364871    
 H   -3.31836081      0.411470860      -2.81073141    
 O   -4.11180115       1.47403443      -1.57228577    
 H   -3.38870025       1.49157286     -0.928023398    
 H   -4.86357927       1.03754783      -1.14398384    
 O   -6.01928282      0.234849721     -0.107194789    
 H   -5.61767626     -0.633830488       4.66810614E-02
 H   -5.97435093      0.721858084      0.723239183    
          69
 Energy    -248.89411107908128     
  O     11.35106003     10.79558719    -15.20656530
  H     11.01492227     11.64913575    -14.90232852
  H     18.91617392      9.89325670    -14.77096681
  O     16.07636970     12.13180829    -14.69588927
  H     12.24953707     10.73921396    -14.84407897
  H     17.23153053     11.57944724    -10.74477804
  O     11.99322775     10.54425600    -17.86083493
  H     16.70630723     11.61539277    -14.17224810
  H     18.48371681     11.08960617     -9.97629531
  O     13.85952316     10.54694604    -14.15087477
  H     15.69496467     12.82661811    -14.14500067
  H     16.13452276     11.75749788    -16.41906017
  O     14.58064257     14.00939105    -13.24098541
  H     11.22162590     10.37715362    -18.39601762
  H     16.92504281     11.17596748    -17.62974565
  O     15.76599739      8.85127732    -10.89674466
  H     11.68511498     10.62752940    -16.94242047
  H     11.64959336     13.82240586    -14.67009662
  O     13.13786234     14.65613709    -15.56687530
  H     14.61179193     11.08656875    -14.42249101
  H     11.35372183     13.22834664    -13.28212334
  O     16.96989782      7.86636458    -17.76034621
  H     14.01875745      9.63781506    -14.43791847
  H     15.67867647     13.32196010    -11.72233360
  O     13.83079654     10.74649841    -11.41232184
  H     13.84215358     13.72802656    -12.68484391
  H     15.18441199     12.00432609    -11.11697250
  O     18.13730295      6.87788491    -15.50484849
  H     14.17110169     14.33544363    -14.05419386
  H     11.16347142      8.97768289    -14.88595153
  O     16.39408663      7.90492795    -13.53950092
  H     16.54006224      9.39147563    -10.69784531
  H     10.69725213      7.74335510    -14.09942454
  O     19.34791053      9.47418978    -15.52748327
  H     15.97409710      8.38218765    -11.71516058
  H     13.02921171     12.16278428    -17.75825512
  O     17.87204267     10.84917431    -10.66632872
  H     13.32465783     14.02361390    -16.28304841
  H     14.52373010     12.49324944    -17.60485233
  O     16.05448472     11.47690697    -17.34394783
  H     13.02775252     15.50816993    -15.98150077
  H     17.22775911      9.53406593    -13.44866663
  O     10.99870128     13.30763045    -14.17639133
  H     17.50430329      8.63864724    -17.98515583
  H     17.92223096     10.52985899    -12.47838288
  O     15.89753109     12.65687046    -11.06223348
  H     16.05277165      8.16470627    -17.79358866
  H     13.59363958      9.52138148    -17.74730186
  O     11.32212511      8.02930903    -14.76200495
  H     13.79761423     10.65242384    -12.37662245
  H     15.03238077      9.97566389    -17.43365703
  O     13.63936565     12.87976078    -17.55212929
  H     14.39036225     10.02237191    -11.09809835
  H     12.14221572     13.43718449    -10.81859204
  O     17.73857242     10.35614684    -13.40957531
  H     18.48473975      6.00577223    -15.67150519
  H     12.77574501     12.19014576    -11.47015653
  O     14.46838660      9.19136119    -17.51137407
  H     17.67538341      7.15508277    -16.31657520
  H     19.25335109     10.51051418    -18.52827161
  O     12.37968462     13.05658394    -11.66116864
  H     17.04161477      7.45507389    -14.09713943
  H     18.87672617     10.05532210    -17.09721217
  O     18.51357023     10.28050761    -17.97298971
  H     15.55298859      7.83664608    -14.01346613
  H     13.13066658      7.80978810    -14.95324817
  O     14.08204623      7.95020820    -15.06149068
  H     19.10360393      8.54152479    -15.47784751
  H     14.22926934      8.27218356    -15.96282962
          69
 Energy    -248.89411070481549     
  O     -7.32178004     -3.47084278      5.77031765
  H     -6.59065566     -2.95899538      6.13124353
  H     -4.03322753      0.74525340      2.10400821
  O     -9.19218108     -2.29223477      2.84699373
  H     -8.12470234     -2.93653240      5.86643786
  H     -6.46942225     -1.16516534      3.10261157
  O     -7.41678512     -4.47200672      3.28888474
  H     -8.54476071     -1.60178643      3.06110713
  H     -6.95302732     -0.25755622      4.28232115
  O     -4.91135699      0.79260457      0.47233158
  H     -8.71700260     -3.12986252      2.92062656
  H     -4.50423207     -2.08619130      7.30818350
  O     -6.67934066      0.37744060      6.02671166
  H     -7.54343592     -5.41609645      3.30486575
  H     -4.60320294     -1.79454970      5.78977422
  O     -5.12908262      5.27924959      2.07932534
  H     -7.35342422     -4.17861873      4.21816492
  H     -0.82291732      3.08096449      2.67628362
  O     -9.99646549      1.47446768      1.12182513
  H     -5.17645919     -0.05203067      0.09481860
  H     -2.22273629      3.50751698      3.18474945
  O     -9.64650304     -1.94728792      5.64600616
  H     -5.74204628      1.18079636      0.79405820
  H     -9.62273017      1.86143969      4.48378754
  O     -3.85601739     -1.63959303      4.24826386
  H     -6.14480374     -0.35491465      6.35867267
  H     -8.86568027      2.95205943      3.69546930
  O     -3.78586730      3.41526333      0.60024508
  H     -6.08075228      1.08409341      5.74298085
  H     -5.78505147     -2.36563580      1.38804570
  O     -6.31876692     -1.62462803     -0.24222454
  H     -5.15914961      6.10547920      1.60423525
  H     -6.16796259     -3.33603994      2.55187669
  O     -3.60723356      0.83817948      2.96697186
  H     -4.70156466      4.63313858      1.48912746
  H     -9.38226036     -0.26248527      0.48273133
  O     -7.10851771     -0.48695021      3.35903095
  H    -10.69622930      1.97403903      0.70970754
  H     -9.16335882     -1.63715028      1.11782182
  O     -5.11503768     -1.84202053      6.61843741
  H     -9.97077198      1.75442205      2.05493028
  H     -9.63135429      1.24085407      6.92830568
  O     -1.75539366      2.92016920      2.56365599
  H     -9.67550085     -0.99601011      5.79761618
  H     -8.40059921      0.73263169      6.14288117
  O     -9.64810997      2.38725392      3.67506399
  H     -9.74548933     -2.06743650      4.69292982
  H     -3.94032873      4.87079667      3.54396602
  O     -5.58303368     -2.60821483      2.30038809
  H     -3.65252459     -0.77461279      3.86895638
  H     -3.90690286      3.76826594      4.61530938
  O     -8.95114962     -1.11122319      0.33375084
  H     -4.31923042     -2.12211578      3.55018407
  H     -5.83238248      2.77388993      4.36147481
  O     -9.35951791      0.88590228      6.08484275
  H     -2.99076130      3.25926536      1.12568805
  H     -4.65009890      1.76858170      4.17477343
  O     -3.35488176      4.42323148      4.16823682
  H     -4.12863060      2.54096504      0.37756957
  H     -8.16013657      1.60423382      1.21717570
  O     -5.13233765      2.29473062      4.82934831
  H     -6.30363961     -2.08339894     -1.07857212
  H     -7.23420477      0.83551023      2.19461351
  O     -7.25731225      1.56557604      1.55388194
  H     -7.25019096     -1.39773993     -0.07167219
  H     -7.11022501      2.94089825      2.64914169
  O     -7.05931056      3.63675005      3.32420668
  H     -2.86304068      1.44112357      2.84588782
  H     -6.51535332      4.33455600      2.93865210
          69
 Energy    -248.89406371746014     
  O      1.33530420      1.32878319      3.76411960
  H      0.82403001      0.87757317      4.46182400
  H     -3.01723685      3.26429021     -0.42767039
  O     -0.48781216     -1.98047868     -3.23234726
  H      2.08566373      1.73380955      4.19041857
  H     -3.01715491      2.43183553      6.09447099
  O     -0.28653847      0.22486643      5.59933469
  H     -0.27450478     -2.77230093     -2.72342002
  H     -3.27968331      1.26669897      5.11505601
  O     -2.15755766     -0.69771811     -1.37746003
  H     -1.20132273     -1.54482955     -2.74465152
  H     -1.29212100      3.09703159      1.21931916
  O      0.25708594     -3.98816830     -1.29622140
  H     -1.07269336      0.77661933      5.67041136
  H     -0.87021851      2.43134829     -0.10923573
  O      2.04733750     -2.05255196     -0.60910398
  H     -0.60096599     -0.67488871      5.42213294
  H     -3.72901515      0.54924223      0.65687694
  O     -4.07614498     -2.73896919      4.47169224
  H     -2.96641576     -0.24443407     -1.11168667
  H     -4.26661051      1.52758881     -0.43099552
  O     -1.13751374      2.50265239      3.02060639
  H     -1.42271481     -0.14041691     -1.08374448
  H     -2.17073215      1.13867071      2.34200263
  O      1.53644275     -0.22049631     -2.76938656
  H      0.71036323     -4.82073414     -1.39805824
  H     -3.31463430      0.24184327      2.90372666
  O     -6.65448380      0.29734291      2.91368109
  H      0.92239881     -3.34429649     -0.99329209
  H     -1.36559639     -3.59753130     -0.44103861
  O     -4.35658727      0.03492354      4.40112238
  H      1.92941598     -1.51818980      0.18720521
  H     -2.19359105     -2.29709574     -0.51612941
  O     -3.91630634      3.21751521     -0.79914158
  H      2.04703656     -1.42827489     -1.34503825
  H      0.51539512     -0.92241119      1.75169486
  O     -2.61850378      1.92258773      5.39319839
  H     -4.58136677     -3.43216103      4.88798154
  H      1.43141150      0.21631456      2.26348699
  O     -1.40985425      3.14196366      0.26293388
  H     -4.13004317     -2.89294633      3.51115619
  H      0.58883335      0.68495697     -1.41544572
  O     -4.27943102      0.60444260     -0.14016452
  H     -1.63242670      2.47261276      3.84954915
  H      0.47664834      0.51610174      0.11985808
  O     -2.74501858      0.38891968      2.13739602
  H     -0.24759215      2.18245950      3.21925713
  H     -1.06083254     -2.17352447      3.88506901
  O     -2.11443530     -3.13821356     -0.04076392
  H      0.83637591     -0.83609321     -3.05212360
  H     -2.20187599     -2.49004340      4.85128530
  O      1.26720756     -0.35902021      1.50800889
  H      1.99807301      0.05417962     -3.55654281
  H     -1.30448226     -2.35733379      1.40384559
  O      0.03651798      0.89788741     -0.65287215
  H     -6.56257076     -0.26128753      2.12777577
  H     -1.62519772     -1.02092215      2.11012816
  O     -1.27570446     -2.22647171      4.82703236
  H     -7.11648078      1.08071115      2.62201327
  H     -4.94750824     -2.47727596      1.35265657
  O     -0.99342151     -1.75495239      2.08970651
  H     -5.20999308      0.17429165      3.96522626
  H     -3.58848616     -3.18723507      1.14161135
  O     -4.29385688     -3.03905177      1.78423069
  H     -4.26016246     -0.91656401      4.54166387
  H     -5.51856096     -0.53955302      0.23446085
  O     -6.15122982     -1.19584696      0.57855340
  H     -3.97518557      3.92542220     -1.43418795
  H     -6.68732735     -1.47900203     -0.15767100
          69
 Energy    -248.89376729318329     
  O     11.92099432     11.25439259    -14.37690934
  H     11.47196561     10.70603534    -13.72418921
  H     19.14375753      7.32544246    -14.88093766
  O     15.70622931      6.42969911    -13.19807649
  H     12.19993480     10.64760792    -15.07951296
  H     14.91940716     11.85824235    -15.80974532
  O     17.50713526      9.90098378    -11.32261340
  H     15.46611176      7.28275820    -13.59554433
  H     15.98862233     10.90345282    -16.37867051
  O     17.32631499      9.79121122    -15.65917383
  H     16.53160101      6.56990541    -12.71545902
  H     15.86960461      9.18053704    -14.77225781
  O     13.05723467      6.71055528    -16.31854924
  H     16.65781002     10.25892993    -11.62024425
  H     14.32050493      9.04952333    -14.81513775
  O     14.43361312      8.76993203     -8.48203530
  H     17.44787847      9.80388801    -10.36359769
  H     11.61341493      9.40274371    -11.87313876
  O     13.59485338      6.58531737    -11.47619759
  H     17.63551079      8.95997807    -16.04499823
  H     10.07387058      9.37284954    -11.99809914
  O     15.07436774     10.74476497    -12.30846294
  H     17.96316352     10.05147555    -14.98209380
  H     17.29227822      7.47797829     -8.90473120
  O     14.58479116      5.93954556     -8.91687915
  H     12.68266941      6.79851000    -15.42308800
  H     17.56554259      6.58943882    -10.12688726
  O     18.09025973      7.23948599    -16.49411520
  H     12.45621410      6.15393283    -16.80768172
  H     12.48540238      6.74613532    -13.01053875
  O     15.79177640      5.92059514    -15.93391681
  H     14.38249686      7.80587751     -8.49625319
  H     11.54183006      7.84096580    -13.52016898
  O     19.59452312      7.50197504    -14.04605676
  H     13.89094438      9.06967205     -9.22260960
  H     18.60351704     10.22355282    -12.71072326
  O     15.14285462     11.32446357    -16.58197348
  H     14.35852489      6.43236091    -12.05380043
  H     19.75140943     11.00563607    -13.38617852
  O     15.09839025      8.88140955    -14.26977525
  H     13.83791254      6.25629924    -10.60272044
  H     18.64636931      7.12762973    -12.55890170
  O     10.87893852      9.38940744    -12.50968453
  H     15.06956527     10.03284030    -12.96937884
  H     17.80560440      8.07767817    -11.66596020
  O     17.20243857      6.57463102     -9.23060687
  H     14.83731457     11.54301376    -12.79560964
  H     17.34521063      9.81383322     -7.78918310
  O     12.03234808      7.06102328    -13.80304524
  H     15.54210892      6.07891116     -9.03442263
  H     16.11331788      9.24155085     -8.52934975
  O     19.11316407     10.31173783    -13.53296748
  H     14.48533660      5.18934542     -8.33718611
  H     13.78906296      9.84980929    -11.35915677
  O     18.00187960      7.14680428    -11.83703258
  H     17.27074603      6.73752329    -16.33644998
  H     13.33993631      8.36072405    -11.15842640
  O     17.07315108      9.39343473     -8.60062015
  H     18.47523861      6.89068958    -17.29371383
  H     13.33212892     12.23512319    -14.20153635
  O     13.13024373      9.28161852    -10.93671688
  H     14.89072444      6.17235803    -16.16798844
  H     14.01748114     13.62046552    -14.15924898
  O     14.19609127     12.68409939    -14.13774637
  H     15.79857339      5.87051856    -14.96764163
  H     13.13316948      8.62587489    -16.49999366
  O     13.09426380      9.52972984    -16.16944900
  H     19.59341642      8.46137933    -13.94106523
  H     13.80856116     10.06397919    -16.55046699
          69
 Energy    -248.89375248853992     
  O     11.78418709      9.52183031    -15.24790538
  H     12.25166757     10.32589420    -15.50004770
  H     19.61601197      7.96540477    -14.36306350
  O     16.31814401      7.13755743    -12.22369147
  H     12.26581147      8.78979096    -15.65679925
  H     15.49445221     10.89300895    -18.59322334
  O     17.18530535     11.46155594    -12.46591581
  H     17.04793805      7.74461826    -12.03632163
  H     15.88509970     10.26409081    -17.24692212
  O     17.05547578      9.39435002    -16.22132688
  H     15.63794215      7.28589576    -11.55324189
  H     14.57331225      8.15071164    -14.88206602
  O     13.86641487      5.35773412    -14.62119388
  H     17.11476637     11.86449728    -11.59135124
  H     15.51788106      8.02784110    -13.63043107
  O     14.47908361     11.20313750     -9.10159444
  H     16.29230976     11.43815926    -12.83725549
  H     11.31407501      9.10375758    -13.63847533
  O     14.34313325      7.78691342    -10.42958768
  H     17.68468675      9.99970436    -15.79940089
  H     10.16348113      8.82202098    -12.64342594
  O     14.63146589     11.13487349    -13.51393891
  H     16.43210157      9.11726255    -15.53293495
  H     17.62068546     10.64704341     -9.25255692
  O     15.50296058      8.72159644     -8.05583418
  H     14.80471494      5.20801241    -14.46318484
  H     18.08632055      9.35587201     -9.94588989
  O     18.50849319      7.08335927    -15.38762550
  H     13.47142193      5.64751849    -13.78340684
  H     13.24048844      6.74349075    -11.58752135
  O     16.70793719      5.21668340    -14.09459830
  H     14.70629105     10.39463430     -8.62633761
  H     12.11070608      7.19325582    -12.51895474
  O     20.14901244      8.54227984    -13.78678170
  H     13.91044937     10.93033061     -9.83446995
  H     19.39189885     10.23076213    -14.41251611
  O     15.17420617     10.73850342    -17.70817194
  H     13.96110099      8.61476416    -10.75564492
  H     18.32105896     11.25437979    -13.97549841
  O     15.21541024      8.61615085    -14.33244780
  H     14.70148609      7.97786071     -9.55452494
  H     17.88948160      9.83870192    -12.03785501
  O     11.11353090      8.83892884    -12.72284017
  H     14.20223218     11.54515587    -14.27279042
  H     19.01827858      8.81910040    -12.36552075
  O     17.80385863      9.71284707     -9.09322128
  H     14.81938709     10.22015597    -13.78241623
  H     16.95786149     13.16672547     -9.37523941
  O     12.72736772      6.46942889    -12.35716098
  H     16.37238586      9.01521478     -8.38357675
  H     15.96133466     11.99787990     -9.56331699
  O     18.80185699     10.91870642    -14.74370744
  H     15.63404951      8.41063916     -7.16452455
  H     12.38167850      9.76743052    -11.74582064
  O     18.28542784      8.99820167    -11.76324056
  H     17.99960329      7.76961055    -15.83866164
  H     13.65626178     10.58389885    -12.07826143
  O     16.84409263     12.32693260     -9.81188032
  H     17.88010044      6.42473711    -15.07070627
  H     14.00268448     11.45344624    -16.59851407
  O     13.17280303     10.16037375    -11.35536849
  H     17.07649608      4.41024471    -13.74078528
  H     13.04495283     12.63211741    -16.30870110
  O     13.37633790     11.81400933    -15.94733594
  H     16.60177622      5.82756112    -13.34377937
  H     13.76622627      7.32075087    -17.07674935
  O     13.43106325      7.46259391    -16.19537414
  H     21.05920670      8.28498813    -13.90378539
  H     13.50707235      6.61665079    -15.71719672
          69
 Energy    -248.89348586555494     
  O     17.61299933      8.96300014    -12.96274896
  H     18.23413889      8.62623053    -12.30156976
  H     13.93082470      9.43327724    -14.72656846
  O     12.22488743      7.48629578     -9.67839609
  H     16.72463761      8.89267330    -12.57728078
  H     11.32710931      8.92038889    -12.44684899
  O     17.16877640     11.53447558    -11.80042645
  H     11.74061894      7.29759168    -10.49350974
  H     11.89309821     10.08986892    -11.61937158
  O     10.99219980      7.09082329    -12.22105593
  H     12.28983256      8.44731175     -9.63126975
  H     19.23668367      4.94524447    -10.58231741
  O     16.64716925      6.84831307    -14.49416614
  H     16.55555689     12.00649159    -12.38339063
  H     18.03802348      5.34197419     -9.69094366
  O     19.20920529      8.03854281    -10.90120403
  H     17.43625558     10.74784531    -12.29439464
  H     13.86483061      6.79658960    -10.01807533
  O     18.89106105     10.57294319     -9.73372032
  H     10.18434307      6.62212009    -12.41298582
  H     14.85273198      7.42275488    -11.01796017
  O     17.21102898      6.99616633     -9.24577783
  H     11.66835045      6.74047725    -12.82788670
  H     19.91632884      5.50235803    -12.61461894
  O     12.91111936      6.19733577    -13.90979018
  H     17.07108285      7.59269118    -14.04277757
  H     21.36046137      5.47772985    -12.05795342
  O     15.21899010     12.46884707    -13.49032699
  H     16.17359510      6.32580838    -13.82849496
  H     18.13084916      5.60828650    -14.22819921
  O     14.39287162      7.88977832    -15.70842187
  H     19.76710569      7.31801578    -11.21827411
  H     18.22776695      4.31732577    -13.38951955
  O     13.82325881     10.14584769    -14.08606380
  H     18.52063628      7.64076396    -10.34820827
  H     14.58229681      9.28820143    -12.66371113
  O     11.63783365      9.83247221    -12.51365195
  H     18.43894309     11.08236215    -10.41825537
  H     15.11256808      9.52098616    -11.21541417
  O     18.45411186      4.59454834    -10.13883430
  H     19.19410023      9.75801593    -10.15907958
  H     15.79763980     10.32701997     -9.16570181
  O     14.73635761      6.66933301    -10.41625488
  H     17.13583700      7.78277541     -8.69308281
  H     15.91396519     11.15468376    -10.47784080
  O     20.46793354      5.73750680    -11.84710807
  H     16.32569915      6.82176444     -9.59848792
  H     15.81487154      4.46329520    -12.52839514
  O     18.75823443      4.99559353    -13.82730541
  H     13.65796434      5.72809921    -13.51407262
  H     15.04864713      5.62290382    -11.83256296
  O     15.07408379      8.88151986    -11.93947691
  H     13.29002580      6.76424439    -14.59038069
  H     17.77647378      9.96912964     -8.54617102
  O     15.28397708     10.72870012     -9.87851431
  H     14.71615253     11.68597624    -13.76645157
  H     17.23191773      9.79971051     -7.10517859
  O     15.24094237      5.22082592    -12.69250128
  H     14.83776937     13.20589603    -13.96022271
  H     13.47168816     10.59098460     -9.80525329
  O     17.06213073      9.57050177     -8.01509972
  H     15.23352259      7.53814828    -15.37031780
  H     12.09811436     11.02138150     -9.25459143
  O     12.52384689     10.38604202     -9.82617737
  H     14.41994418      7.79368965    -16.65738948
  H     17.59992530      3.69944635    -11.36935273
  O     17.18371234      3.28783808    -12.14834115
  H     12.95987655     10.05715571    -13.64968440
  H     17.17574627      2.34736681    -11.99381197
          69
 Energy    -248.89341412672974     
  O     17.03598325      7.77533851    -15.92941647
  H     17.64748756      7.20747108    -16.41581863
  H     17.96512624      3.21000404    -12.92712268
  O     19.96517993      6.31197716     -9.75680251
  H     16.25440000      7.23922432    -15.73529445
  H     16.35317263      9.48363607    -15.82585492
  O     15.08715779      9.52089673    -10.75776180
  H     19.56798600      7.20231890     -9.71937400
  H     14.98630286     10.06744549    -15.40654024
  O     13.22434946      9.69327818    -14.76332496
  H     20.66642780      6.29819955     -9.11125423
  H     17.92460394      7.89654779    -14.30323892
  O     18.71000727      5.85963100    -17.08704010
  H     14.73296356      8.65539994    -10.99560113
  H     18.07102941      8.58955508    -12.90374103
  O     17.53559077      4.79666348     -9.55461856
  H     14.64075375     10.18687229    -11.29983291
  H     11.90302687      6.75685726    -13.47874342
  O     14.26640210      6.87127117    -11.32496125
  H     12.46062928      9.91428866    -15.29275037
  H     13.21361977      7.09500008    -12.74020200
  O     19.92085902      5.76117470    -12.50592418
  H     13.03578085      8.83824692    -14.34868565
  H     15.91209203      7.65076260     -8.44016361
  O     15.15616658      5.90017172     -8.85378803
  H     19.23699028      5.45703975    -16.37335572
  H     15.81372931      9.03102466     -9.10060727
  O     16.35146375      5.90861804    -12.78347109
  H     19.25812562      5.85909297    -17.86714415
  H     17.44431645      3.01787248    -15.24000646
  O     19.99265498      4.58396521    -15.06915866
  H     17.62054076      4.25809969    -10.35129686
  H     18.02682493      1.61243939    -14.96034903
  O     17.98537593      3.77043455    -12.14185287
  H     18.34719643      5.31713807     -9.51269011
  H     14.96450472     11.71552061    -12.90103841
  O     15.89689681     10.30871734    -15.61505418
  H     14.39017747      6.54229943    -10.42550135
  H     13.75446576     10.86112965    -13.31804398
  O     18.26559277      7.78605682    -13.40672009
  H     15.02418980      6.53112589    -11.82707540
  H     17.96438046      8.65464578     -9.10901919
  O     12.74175691      7.20006121    -13.58404764
  H     19.43487439      6.52887653    -12.84384123
  H     18.54483117      9.24758730    -10.40841140
  O     16.28726071      8.53808595     -8.41575408
  H     20.08193146      5.93465503    -11.56946424
  H     17.42538333     10.75121396    -12.46634777
  O     18.02902619      2.51305452    -14.64739386
  H     14.81549799      5.40520896     -8.11332389
  H     16.73720168      9.79002603    -11.47151464
  O     14.13167924     11.34917811    -12.57685349
  H     16.00512880      5.48771839     -9.09595860
  H     14.09858773      6.40126687    -14.80916431
  O     18.76853927      8.70037060     -9.64780901
  H     17.01994521      6.59351723    -12.92512618
  H     15.46450338      5.91908326    -14.30217182
  O     17.58149047      9.98141801    -11.90661811
  H     16.81697834      5.10344479    -12.52727881
  H     15.88040293      4.67655566    -16.00440140
  O     14.94886651      6.07124536    -15.11194060
  H     19.46256352      3.79352749    -14.90989905
  H     17.24271627      4.66435096    -16.72434685
  O     16.57685595      4.09021135    -16.32507682
  H     20.14165899      4.98666152    -14.20373800
  H     16.48739445     11.42600929    -14.42421763
  O     16.71948928     11.99976863    -13.67132542
  H     18.72473304      4.38715637    -12.25831520
  H     17.06512857     12.80971832    -14.03592962
          69
 Energy    -248.89337208450382     
  O     12.98490729     11.72490884    -15.01203988
  H     13.12553977     11.00313236    -15.64108101
  H     18.95476831      8.31492605    -13.87354505
  O     14.93710074      6.28642211    -13.42002069
  H     13.83250928     12.17697689    -14.93407399
  H     16.51421130     10.67227801    -17.24712470
  O     17.46090606      9.44001691    -11.25307397
  H     15.78846945      6.32085013    -12.95557329
  H     17.44428165     10.38711868    -16.07153754
  O     17.80314170      8.65898501    -15.34314446
  H     14.25750412      6.49590743    -12.76602541
  H     15.05122598      7.98176849    -14.04609843
  O     12.07474422      7.15698673    -16.27104399
  H     17.21656888      8.55270818    -11.55045826
  H     14.63282469      9.07592301    -15.08504499
  O     14.21785265      9.10166781     -8.59675107
  H     16.89944196     10.06631422    -11.72974694
  H     10.68967459     11.23261026    -12.91912214
  O     13.13848358      7.24044235    -11.54092464
  H     17.66551988      8.02939803    -16.05951397
  H     12.00786891     11.11485453    -13.72057267
  O     15.64648661     10.95719971    -12.66691262
  H     16.93554139      8.74822559    -14.91934787
  H     15.82577631      6.30661987     -9.19856957
  O     16.79471668      6.97951110    -17.45971835
  H     11.28495032      6.78788230    -16.65643461
  H     16.94560059      7.31911917     -8.91863452
  O     13.90375988      6.43659865     -8.95525290
  H     11.85341467      7.39049105    -15.35036054
  H     11.42855424      8.87213235    -13.54873012
  O     14.67616828      5.96907497    -16.14501568
  H     15.16867920      9.25388758     -8.52008848
  H     11.97089442      7.55190627    -12.97551889
  O     19.36448320      8.12289219    -13.01818731
  H     13.93034603      9.54129030     -9.40817712
  H     17.20460116      6.48360046    -11.06887795
  O     16.95963199     11.10011747    -16.50796629
  H     13.31684745      8.18483121    -11.42511277
  H     18.09883794      6.92491722    -12.30668977
  O     15.22340802      8.88328718    -14.34708018
  H     13.31652889      6.82614387    -10.68802671
  H     17.74132404      9.66924552     -8.06378930
  O     11.47443431     10.70023335    -13.01868823
  H     15.69827501     11.72674610    -13.24317305
  H     17.26305632      9.38654757     -9.50697838
  O     16.77250242      6.45584010     -9.31311799
  H     15.46009806     10.20511028    -13.25471249
  H     15.72414400      9.35952542    -19.37656975
  O     11.53157667      7.93333476    -13.74629735
  H     16.03455262      6.58947669    -16.98901165
  H     16.10169993      8.49979890    -18.14848207
  O     17.21131784      6.67442844    -12.01869300
  H     17.28960680      6.25283837    -17.82861354
  H     14.26145535     10.41878156    -11.60098177
  O     17.06004643      9.23238988     -8.56781769
  H     13.96579753      7.38570983     -8.73932022
  H     12.72684744     10.29850979    -11.69195368
  O     15.67712474      9.32867455    -18.42409978
  H     13.44041895      6.01915847     -8.23411419
  H     16.13032137     12.21910763    -15.43380662
  O     13.49209469     10.01777593    -11.17431617
  H     14.79930624      5.91842733    -15.18546757
  H     15.95718395     13.67780651    -14.95485436
  O     15.64629063     12.78824210    -14.80960050
  H     13.77044150      6.27317234    -16.27157349
  H     14.21131547      9.43547067    -17.28473441
  O     13.57766936      9.48817945    -16.55900433
  H     19.04682395      8.81262196    -12.42418497
  H     13.01629522      8.70216843    -16.58891759
          69
 Energy    -248.89336293623063     
  O     10.95584555      9.80979261    -10.25486890
  H     10.31657985      9.66288076     -9.56355248
  H     11.40403559     12.35395576    -16.54005176
  O     15.00038127     10.09834291    -13.19395349
  H     11.80847758      9.99590603     -9.82016033
  H     15.61742882     13.94002047    -13.59017952
  O     17.00420754     13.20289332    -14.63685394
  H     14.95078646      9.24697770    -12.73828719
  H     14.20137064     14.55859926    -13.62292715
  O     16.61963451      7.04773231    -13.99775028
  H     14.61480412      9.96532161    -14.06693351
  H     16.03015361     11.01971663    -16.73149485
  O     11.51072608     11.83187623    -12.13235010
  H     17.78031123     13.69495064    -14.89398023
  H     15.90418654     12.30385618    -15.88344430
  O     12.86034934     15.12666709    -14.78965557
  H     17.31442267     12.43532777    -14.12712480
  H     17.70230257      9.34425853    -16.12986391
  O     15.71460952      8.77888089     -9.53057031
  H     16.08670540      7.04454800    -14.80340672
  H     16.48580370      8.75433980    -16.84651563
  O     14.25538817     12.08975129    -11.45428596
  H     16.00022967      7.12453454    -13.26067050
  H     16.07236027     11.62877640    -10.67746809
  O     13.79049467      9.64458929    -15.66070701
  H     11.16947968     11.21382726    -11.47331169
  H     17.31057522     11.04140361    -11.36609716
  O     18.66981400      8.71852388    -14.55602964
  H     12.42771230     12.01436783    -11.89113577
  H     11.49098632     10.73960982    -13.61069126
  O     13.40452218     10.43893486     -9.32321695
  H     12.64913257     16.04616405    -14.92965904
  H     10.98236640     10.67820490    -15.06685873
  O     10.53323157     11.99687943    -16.28554707
  H     12.04852661     14.70058772    -14.46037060
  H     14.57538406      8.15796949    -16.14313158
  O     14.87076900     14.19073262    -13.03262192
  H     16.23324835      8.40585301     -8.82237544
  H     14.63026445      6.84871255    -16.96488637
  O     15.42218338     11.73856437    -16.49867072
  H     16.20190284      9.55721238     -9.85409667
  H     13.03270278     13.83226687    -16.17503188
  O     17.05870760      9.53085887    -16.82326549
  H     14.45914182     12.91882773    -11.91476738
  H     13.83486706     12.68093303    -16.82645536
  O     16.83938322     11.06554800    -10.52307986
  H     14.47219564     11.36673185    -12.06454788
  H     11.63876109      8.62847998    -11.59835683
  O     11.42344606     10.15878873    -14.38160077
  H     14.20220298     10.45315340    -15.99595896
  H     11.81506477      8.66712984    -13.12197139
  O     15.14965370      7.41519978    -16.40062486
  H     12.92837989      9.85373042    -15.27606918
  H     18.12563026     10.21672193    -13.65118614
  O     12.96203270     13.09074426    -16.78972694
  H     19.48298794      8.22445199    -14.61103997
  H     16.68871828     10.62112499    -13.25011927
  O     12.08701240      8.18802026    -12.33107298
  H     17.97243382      8.08402626    -14.30658133
  H     10.44430048     13.18679773    -14.75923668
  O     17.61135919     10.92511943    -13.24434232
  H     14.13249974      9.80896390     -9.26718147
  H     10.85481203     13.15072121    -13.27106315
  O     10.66057463     13.74911242    -14.00536354
  H     13.69670685     11.12244788     -9.94145190
  H     13.80236916      7.72753233    -12.03011877
  O     14.76650884      7.64851399    -11.95328581
  H      9.98594159     12.02232326    -17.06535265
  H     15.02921290      7.90596629    -11.06094481
          69
 Energy    -248.89330243515298     
  O     14.80459391      9.56868462    -10.47111163
  H     15.59231043      9.81219664     -9.96925382
  H     14.99578205      4.21396976    -15.38954054
  O     12.86771847     10.65350368    -16.06174293
  H     14.59244808     10.25871809    -11.11361988
  H     12.47033034      7.41141613    -10.54435107
  O     16.70156132     11.01219082    -13.73375787
  H     12.85670400     11.49019029    -15.58038271
  H     13.55394458      8.32538483     -9.93536212
  O     13.48513510      4.85817578    -12.32772911
  H     12.71560928      9.96609745    -15.40005378
  H     18.12402324      8.00266570    -15.50467908
  O     17.54210148      6.96140307     -9.25422415
  H     17.31576471     10.98581850    -12.98647779
  H     19.48067896      7.35227032    -15.85107097
  O     15.78392124     12.82130969    -15.66988976
  H     15.80798695     10.96563523    -13.36850463
  H     14.20651550     13.07832839    -14.93721740
  O     16.07938933      7.75715468    -12.18130827
  H     14.06078383      4.65359050    -13.07264662
  H     12.98913362     13.92053199    -14.48194048
  O     14.08214170     10.98341770    -12.73224423
  H     14.06776974      5.01278745    -11.57181370
  H     13.59164762      8.25405980    -14.27148307
  O     18.92358436      8.10057477    -12.48744327
  H     18.15419616      6.49067862     -9.83111910
  H     12.33806898      8.20599223    -13.36959162
  O     18.34039258     10.64228232    -11.57343239
  H     16.69242987      6.51943927     -9.38708464
  H     14.31737020     10.60903305    -17.03392495
  O     17.93009637      5.03507093    -13.65365997
  H     16.26629446     12.32702867    -14.99143555
  H     14.96983288     10.72388601    -18.43168492
  O     15.24789976      4.64272485    -14.57530217
  H     15.67777616     12.20973466    -16.40796913
  H     10.79672270      6.52417390    -12.19302867
  O     13.02407977      7.53311615     -9.76476646
  H     15.65587758      8.41358731    -11.61148038
  H     12.28657066      6.13266120    -12.31943449
  O     18.77321342      7.34238723    -15.21052878
  H     17.02632465      7.93715551    -12.19696043
  H     14.40084285      6.36903062     -9.95941551
  O     13.32863857     13.03076963    -14.51738872
  H     13.75289806     11.76109724    -13.19834944
  H     15.54331773      6.41087920    -11.00269934
  O     12.85120621      8.78566725    -13.94633735
  H     13.62070083     10.21781552    -13.10571740
  H     18.64339790      5.30653076    -12.05771999
  O     15.17064742     10.65721390    -17.50216020
  H     18.97772746      7.88869820    -13.42736708
  H     19.76752163      4.93570508    -11.06494223
  O     11.67549164      6.88914637    -12.26004969
  H     19.14890975      7.29447373    -12.00503926
  H     15.66082882      7.96699837    -15.19546530
  O     15.16322494      5.87018442    -10.29428001
  H     18.71054876      9.80342928    -11.88554483
  H     15.43409061      7.45514774    -13.75243343
  O     19.11417709      5.60290523    -11.25826761
  H     18.02233273     10.45624374    -10.68273035
  H     17.39089584      8.72043641     -9.13279512
  O     15.12070957      7.36560339    -14.66937351
  H     18.18291892      5.73888549    -14.26335549
  H     17.45235877      9.95823675     -8.21157430
  O     17.25372525      9.68403376     -9.10315211
  H     17.03413362      4.77916958    -13.90138539
  H     16.36062847      9.65834347    -16.50854975
  O     16.85949182      9.21890292    -15.80883266
  H     15.15046661      5.60043431    -14.71825174
  H     16.87010528      9.82656324    -15.05192234
          69
 Energy    -248.89322822851148     
  O     -1.07454131      4.42975134      3.22224994
  H     -1.19926896      3.94242805      4.03322755
  H     -0.94970281      8.07366590     -2.71618569
  O      0.53055108     11.50958184      0.88317478
  H     -1.41146954      3.87010603      2.50365574
  H     -0.32109922      2.17603591     -4.69116809
  O     -1.51936742      9.13480995     -1.20074580
  H     -0.41179942     11.57672269      0.68545894
  H     -1.04476448      2.13152055     -3.32405498
  O      0.71646457     10.50430840      3.40146306
  H      0.85233788     10.75730893      0.36626898
  H     -1.42517920      1.01262445     -1.44575318
  O     -2.06097775      9.91666775      2.92673208
  H     -1.90426912      9.89550733     -0.74873489
  H     -2.79001832      1.67459595     -1.71223989
  O      1.09860440      9.01825283     -0.27966008
  H     -0.60298656      9.08395292     -0.88904425
  H      0.94360748      2.61953149     -2.48896641
  O     -2.66810903      6.91313096      0.01432342
  H      0.71346058     10.95258537      2.53618148
  H      1.01139880      1.96954009     -1.09596420
  O     -1.82656629      7.11696081      2.62174929
  H      1.19944404     11.06505751      4.00174331
  H      1.44706498      6.17198594      2.20237601
  O     -0.84317432      4.95021147     -0.61026155
  H     -2.10582055      8.95167542      2.93812247
  H      0.72426097      4.85615217      2.50668970
  O     -1.84027908      3.01427252      0.99373609
  H     -1.17955083     10.14379619      3.24775405
  H     -4.98830431      2.22713426     -0.51244732
  O     -0.20449377      0.99699982      0.03313299
  H      1.56809617      8.46180915     -0.91204436
  H     -4.14554721      3.44367973     -0.96244666
  O     -0.51346238      7.42017855     -3.27734092
  H      1.06961662      8.55048900      0.56717514
  H     -1.34139274      5.85840432     -3.38282282
  O     -0.41934779      2.64546169     -3.86669678
  H     -1.99201703      6.24163390     -0.16647235
  H     -1.28376478      4.29676147     -3.60834033
  O     -2.02757907      1.27931526     -2.15161587
  H     -2.37424159      7.71610106     -0.43729871
  H      1.91725852      4.12147292     -0.96317674
  O      1.48761405      2.55764654     -1.69428669
  H     -2.23006016      7.05256632      1.74253206
  H      1.92606370      5.00491511      0.35244555
  O      1.51222840      5.21346654      2.08420061
  H     -1.65762756      6.21655886      2.92158931
  H     -3.40879009      5.03877789     -2.31460847
  O     -4.09280488      2.54390935     -0.59056382
  H      0.11642640      5.03861635     -0.61628705
  H     -3.82460549      5.75949834     -1.02028512
  O     -1.79327168      5.01552793     -3.21699287
  H     -1.14742965      4.92064457     -1.52814116
  H     -0.09449962      7.65881577      2.36047509
  O      1.95181949      5.02574040     -0.61587364
  H     -1.45219857      3.69951792      0.42274499
  H      0.92722411      8.74862407      2.76349611
  O     -4.07304761      5.03693553     -1.60995817
  H     -2.69728243      2.79799690      0.60505462
  H      2.96440106      7.23103934     -2.65456243
  O      0.83177253      7.92587746      2.26789434
  H      0.02851104      0.34379112      0.68803495
  H      2.13790311      6.42295287     -1.62539843
  O      2.14724251      7.23449929     -2.16303992
  H     -0.73480056      1.67385258      0.48437546
  H     -3.03077366     11.83706149      0.57261672
  O     -2.31375823     11.20980631      0.53614709
  H      0.40502392      7.38380385     -2.98477308
  H     -2.30528980     10.74440283      1.39167766
          69
 Energy    -248.89309973715177     
  O     15.97821700      8.04342086    -17.27620870
  H     15.09438031      8.11969786    -16.89334299
  H     17.03428936      2.84926814    -15.70237532
  O     13.79357354      3.13743416    -15.89869194
  H     16.56560839      8.62626971    -16.77977262
  H     20.10461369      4.53855734    -15.42002828
  O     17.93054803      6.26603223    -11.83735172
  H     14.73712388      3.04455771    -16.12440628
  H     20.45358102      4.88748394    -13.96826207
  O     19.27182059      5.50669828    -16.81175865
  H     13.38619744      2.28950151    -16.05591777
  H     16.51187210      4.90987758    -15.89286061
  O     17.83929628      3.97467345    -18.73281986
  H     17.49133980      6.87306171    -12.45183727
  H     16.39106272      6.39474554    -16.37907356
  O     13.54036333      7.24253666    -10.68027091
  H     17.55235217      5.38799992    -11.99420964
  H     13.51927172      7.63555045    -15.12996221
  O     14.16327998      4.42013793    -13.43867249
  H     18.99743870      4.98870280    -17.57641168
  H     12.62329708      8.37339018    -16.14862694
  O     16.64688508      7.73366028    -13.76821474
  H     18.45807738      5.64958818    -16.30564161
  H     14.57371716      3.82141722     -9.96403578
  O     18.01777421      2.61295526    -14.30430945
  H     17.15400924      4.64789996    -18.90323088
  H     15.35053847      2.96973074     -8.92947600
  O     13.14522750      4.38890043    -10.82434395
  H     18.04099212      3.56692791    -19.57018976
  H     13.50511859      4.62296611    -17.04838270
  O     19.90083006      7.86089067    -15.43792929
  H     14.42764191      7.02766200    -10.33925862
  H     13.38962689      6.16233456    -17.09898899
  O     16.43796119      3.12808897    -16.41809029
  H     13.15448503      7.86265923    -10.06735446
  H     21.09838552      6.69854009    -12.28376032
  O     20.32330865      4.14293114    -14.56571378
  H     14.08015039      5.37378178    -13.56710143
  H     19.59004209      6.43433644    -12.48138574
  O     16.72171714      5.82467853    -15.67126923
  H     13.95929526      3.98386883    -14.27454823
  H     16.32518796      3.63116775    -11.28584435
  O     13.39875011      7.82163121    -16.07519809
  H     17.00109477      8.49171327    -14.24658636
  H     15.78119932      4.03208597    -12.67651006
  O     15.45801971      3.64145822     -9.59694478
  H     16.71313104      6.97898532    -14.37934730
  H     16.73190363      6.50361115    -10.36936181
  O     13.52230145      5.37983239    -17.64610360
  H     17.58699597      2.93858323    -13.50460377
  H     15.87932397      5.51454448     -9.55655453
  O     20.43343233      6.54404373    -12.95041858
  H     18.87703544      3.05677704    -14.35021413
  H     16.05004024      6.72188197    -18.65419288
  O     16.59536407      3.84526173    -12.18694041
  H     13.09180064      5.34459654    -10.70305561
  H     15.03589987      5.57536892    -18.65408628
  O     15.97640082      6.45122988     -9.77081257
  H     13.37133811      4.26516934    -11.75720664
  H     14.91243473      7.49067270    -13.50187167
  O     15.90509114      5.83161650    -18.99670402
  H     19.84929382      7.11496797    -16.05061045
  H     13.72178919      7.31056240    -12.52027770
  O     13.97652980      7.24150584    -13.44886549
  H     20.14126277      7.48412509    -14.58242874
  H     18.58462062      8.96112182    -15.58431221
  O     17.78019502      9.51232613    -15.61500082
  H     16.95190585      3.25946662    -17.22290294
  H     18.07026688     10.41757450    -15.68222240
          69
 Energy    -248.89299547009148     
  O     15.06436647      9.94622589     -9.14366451
  H     14.53992419      9.14166538     -9.23643372
  H     14.07579320      7.43382249    -15.34215341
  O     12.56187964      6.50105057    -11.82770994
  H     15.98519738      9.68560676     -9.26566604
  H     15.75119746      6.08031386    -15.32738761
  O     17.53338921     10.10162855    -12.28531249
  H     12.92292862      6.85520154    -11.00757588
  H     14.44948536      5.32190805    -14.96282752
  O     17.72148308      9.38906414    -14.94102720
  H     12.12746238      7.23338050    -12.28715492
  H     17.95388280      6.26914248    -15.42498383
  O     16.23201658     12.50647558    -12.27608008
  H     17.78152214      9.88883557    -13.19505922
  H     17.49129983      7.56931560    -14.72168624
  O     13.76646685      7.40343243     -9.36884949
  H     17.17071358     11.00125554    -12.27633005
  H     15.95039584      9.17889809    -12.47142963
  O     15.30779802     10.31883100    -16.08478206
  H     16.89565742      9.76185063    -15.27628121
  H     15.34755030      7.75674723    -12.36116813
  O     14.25562040     12.28932500    -14.37619022
  H     18.29724691      9.26391857    -15.70945873
  H     13.46532578      3.80695649    -13.13493569
  O     16.17289346      6.33184130    -18.12329525
  H     15.67578018     12.57043793    -13.06115732
  H     13.30590312      5.30909645    -12.79619518
  O     11.58333570      8.65469879    -13.31292516
  H     15.62479191     12.53356187    -11.52511610
  H     16.36906260      6.28245834    -10.56106558
  O     16.10642300      6.00835495    -12.33152092
  H     13.37714406      7.03928194     -8.57696224
  H     16.92103764      7.38780933     -9.63502546
  O     13.83186132      8.30915587    -15.01552363
  H     14.67303893      7.04990241     -9.41995095
  H     19.11246464      5.16727723    -17.52484789
  O     14.87742434      5.82979815    -15.66388299
  H     15.01451783     11.10691830    -15.61344865
  H     17.79397245      5.97967193    -17.56288262
  O     17.40991107      6.60580345    -14.70208347
  H     14.71985519      9.60155136    -15.79767128
  H     17.74884851      9.44623892    -10.66226125
  O     15.13458962      8.67267375    -12.57638212
  H     13.82356786     11.72887356    -13.70908232
  H     18.55620718      9.36668027     -9.34774407
  O     13.82726234      4.66956428    -13.31738619
  H     13.63493321     12.98047533    -14.59502175
  H     15.90266211      9.66102546    -17.64645666
  O     16.34591312      6.61315828     -9.65111992
  H     15.56146089      6.10210523    -17.41084064
  H     16.00384309      9.68737678    -19.18638826
  O     18.66130711      5.90496404    -17.12426747
  H     16.09454447      7.28375710    -18.26382676
  H     13.94000932     12.85412814     -9.53480104
  O     17.73088980      9.10880740     -9.75054325
  H     12.16090967      8.50996453    -14.07425485
  H     14.56146421     11.45331890     -9.75723875
  O     16.26534787      9.19054880    -18.41460463
  H     11.91300944      9.46734190    -12.90907554
  H     19.00376240      7.80014029    -17.31985030
  O     14.26802455     12.26658271    -10.20931893
  H     15.38063298      5.44195700    -12.62220143
  H     18.10731462      8.93853716    -17.83502042
  O     18.91276128      8.76112547    -17.33234898
  H     16.69007153      6.14019690    -13.09111794
  H     13.86399849      9.97499259    -12.29913957
  O     13.25362289     10.72767456    -12.32780375
  H     14.26823326      8.41370626    -14.15574826
  H     13.45420510     11.27514842    -11.55872632
          69
 Energy    -248.89275372595836     
  O     10.35686876      5.35729586    -12.75230721
  H     10.96705156      4.79239815    -13.23988830
  H     16.44852361      5.86501247    -13.56968589
  O     13.38367342      5.19858353     -7.67001657
  H     10.58183076      6.26532651    -12.99073222
  H     14.71597814      6.18073475    -12.41872077
  O     16.64693671      8.97764826    -13.18035574
  H     13.61963598      5.18372907     -6.74582449
  H     13.88959731      5.05670565    -11.73325307
  O     16.66591306      8.32009758     -9.55893133
  H     14.17823793      5.47229099     -8.15717318
  H     10.00125609      5.02220074    -11.08970411
  O     11.61908561     10.34379349    -14.59323913
  H     16.00312991      9.22608554    -12.49915762
  H      8.94090556      4.60171071    -10.04608383
  O     11.32042463      6.88051596     -8.79580752
  H     16.46960346      9.52177258    -13.95787042
  H     15.04213544      9.90083844    -15.71289698
  O     13.25205129      6.41449795    -15.00142643
  H     17.38668964      8.14540875    -10.17647203
  H     16.14567142     10.90545273    -16.12102572
  O     13.97674297     11.39403934    -13.30161191
  H     16.05832364      8.91746778    -10.01444982
  H     12.09960245      7.80832803    -10.12359069
  O     17.70257583      5.08258147    -12.56982891
  H     10.76760509     10.73759999    -14.76417768
  H     13.12173537      7.30613012    -11.17392782
  O     16.37652414      3.54737675    -10.51216778
  H     11.45146471      9.50007795    -14.13922265
  H     17.95738747      8.19218406    -12.25941209
  O     15.50091870      5.87510998     -9.28750356
  H     11.98761811      6.37241708     -8.31930213
  H     19.40981503      8.06221308    -11.74997469
  O     15.74597380      6.45437183    -13.88143518
  H     10.74120664      6.22713043     -9.20884662
  H     14.01891930      9.21173698    -11.04936780
  O     14.14756534      5.98344313    -11.66309684
  H     14.17534523      6.41439428    -14.70436342
  H     14.51415787     10.43713670    -11.84963720
  O      9.86241952      4.82466320    -10.14642361
  H     12.92723387      5.52114630    -14.84223704
  H     13.45993719      8.08369126    -15.92870796
  O     15.77545403     10.44492606    -15.37314486
  H     13.12591268     11.12989761    -13.67290386
  H     12.87497621      9.50129283    -15.74913447
  O     12.59854038      8.07844363    -10.90660103
  H     14.61717621     11.25144760    -14.00837265
  H     12.63015736      3.92052501     -8.86678719
  O     18.53459253      7.69327718    -11.65598154
  H     18.07011392      5.86731451    -12.14276722
  H     11.38190366      3.80722038     -9.76056205
  O     14.80862221      9.73061933    -11.25549800
  H     17.34686217      4.52174619    -11.87101709
  H     12.12604447      7.40912050    -13.91604086
  O     13.60702318      9.01200694    -16.14688301
  H     16.80124931      2.92293635     -9.92839063
  H     11.81795292      8.03139264    -12.50900833
  O     12.24736061      3.41213350     -9.59198424
  H     16.14992972      4.32308928     -9.97288771
  H     12.91094717      3.52598242    -13.34657734
  O     11.46515368      7.89552077    -13.40186699
  H     14.99561268      5.93816080    -10.11295866
  H     12.21891226      3.04900058    -14.64039271
  O     12.38383373      3.82291530    -14.10641888
  H     15.96903305      6.71893673     -9.21240599
  H     13.21718067      3.18511655    -11.02151612
  O     13.79602853      3.22869280    -11.80211533
  H     16.05287652      7.35883057    -13.73320821
  H     14.70392315      3.16643052    -11.48476049
          69
 Energy    -248.89273915182662     
  O     16.27219156     10.08811097    -15.36540567
  H     17.11344325      9.61067808    -15.41215927
  H     18.36947534      3.74749484    -14.93362455
  O     14.97508824      7.35311846     -9.26103310
  H     15.55333051      9.45133911    -15.47855114
  H     16.34651529      7.94232333    -11.97002879
  O     16.13510852     12.77064099    -14.91172739
  H     14.93648113      7.01262342     -8.37158127
  H     16.05381557      7.00909360    -10.76608007
  O     12.92403663      7.90798068    -11.21013056
  H     15.13490612      8.31131456     -9.19018518
  H     18.04941237      5.92221310    -16.33637651
  O     14.20768563      8.23858673    -15.43600682
  H     15.78556492     13.23660731    -15.66704212
  H     18.21194816      7.44375992    -16.48202349
  O     18.65222545      8.73003337    -15.19228599
  H     16.14285056     11.82632908    -15.14394693
  H     18.09282462     13.61630553    -10.22373138
  O     20.36332550     10.67053520    -14.13257865
  H     13.49921780      7.63817745    -10.48241446
  H     17.87401302     12.19965775    -10.80711694
  O     18.71589898      6.80364317    -13.17469784
  H     13.05256775      8.85817088    -11.30010580
  H     16.15317142      6.60333486    -17.29764900
  O     15.19916671     12.95273057    -12.21192927
  H     14.43340544      7.68708133    -16.19557954
  H     15.02182006      6.29446065    -18.30773480
  O     12.52843924     10.07266172    -14.15021066
  H     14.22964657      7.66131364    -14.65766991
  H     16.23162203      9.77929449    -13.55834757
  O     13.73859914     10.70966329    -11.75715130
  H     19.30197216      9.40000814    -14.94566426
  H     15.26675495      9.93037032    -12.34799632
  O     18.07087015      4.65239873    -14.89867280
  H     18.64393841      8.07919760    -14.47482711
  H     17.87013201     12.83381862    -14.15916943
  O     16.45511756      7.03412192    -11.64267816
  H     19.78241682     11.43408540    -13.96601040
  H     18.47175451     12.97968491    -12.75029991
  O     17.85487664      6.66291971    -16.92464555
  H     21.20401001     11.02170574    -14.41391741
  H     17.26290731     10.21742469    -11.43349265
  O     17.78893457     13.15024127    -10.99796916
  H     18.62197651      6.00825822    -13.71302269
  H     18.67332228      9.95862279    -10.89020884
  O     15.18839798      6.50447638    -17.39301674
  H     17.96118617      6.80477579    -12.56683532
  H     15.06750958      6.57587690    -12.75813924
  O     16.11893837      9.56904152    -12.62554575
  H     15.44324157     12.95335450    -13.14627956
  H     13.58669116      6.93402014    -12.62999546
  O     18.69113248     12.74515942    -13.66040395
  H     16.01596459     13.12529928    -11.72894743
  H     19.67934976      8.18638725    -12.17439087
  O     17.86006366     10.44813290    -10.70506296
  H     13.05360294      9.45906490    -14.68546312
  H     20.19387163      9.58757802    -12.54327780
  O     14.22862679      6.54288936    -13.23860213
  H     11.61516069      9.85543588    -14.32600934
  H     16.27748690     10.21544579     -9.68239164
  O     19.95642024      9.02831039    -11.79302549
  H     13.23805037     10.55415636    -12.57318710
  H     14.77682809     10.39577769    -10.02712804
  O     15.38077910     10.03419715     -9.36910435
  H     14.15715727     11.58158508    -11.85200643
  H     15.18633437      5.22638982    -15.92839901
  O     15.35585571      4.75693546    -15.10275402
  H     17.09730903      4.62638262    -14.90817038
  H     14.85327455      5.22803363    -14.42511812
          69
 Energy    -248.89257612547888     
  O     20.73481349     10.32319292    -16.85932954
  H     21.23191500     11.14082129    -16.67519665
  H     18.08000012     11.83700742    -17.97193269
  O     17.42124728     18.98604420    -14.92327616
  H     21.37123412      9.66445481    -17.12239395
  H     20.82196080     15.96848154    -17.49717765
  O     22.05553674     13.83340006    -13.77061700
  H     17.40260875     19.93842475    -14.95221951
  H     21.88304604     17.01927229    -17.88946598
  O     13.94661777     15.55745207    -15.41872293
  H     17.80865212     18.68554907    -15.76664944
  H     14.18527802     14.00414636    -14.40417279
  O     16.63934631     11.75029136    -16.74822105
  H     22.77495688     13.80321403    -13.14613526
  H     15.22329484     13.32337551    -13.47253079
  O     16.57648687     10.51767722    -13.08133264
  H     21.90155091     14.77284101    -13.98058119
  H     20.65876221     16.68869332    -14.04776561
  O     14.55576957     10.76045789    -15.12830324
  H     13.12742338     15.96492100    -15.68534499
  H     21.46618105     16.60927665    -15.36566468
  O     21.87596570     12.73500517    -16.37640222
  H     14.43282919     16.21554949    -14.88972450
  H     17.77943911     13.23914335    -12.78373547
  O     19.90658684     14.42709822    -17.65075831
  H     15.89708958     11.30955792    -16.31635680
  H     16.64874987     12.26102491    -12.48002829
  O     15.41593632     17.24109366    -13.93028872
  H     16.40024758     12.68629336    -16.81232614
  H     18.38849145     15.43686539    -18.69090608
  O     19.36227741     13.05662205    -13.61974926
  H     17.36529864     10.44053530    -13.63371094
  H     16.94145723     15.47895080    -18.20320946
  O     18.94269123     11.98771618    -18.38090712
  H     15.83593154     10.43092858    -13.69374727
  H     18.32360919     16.66783892    -12.90733988
  O     21.20736218     16.82370677    -17.24424486
  H     13.70274929     10.34226492    -15.20381843
  H     18.45903167     17.81638056    -13.94697721
  O     14.39399737     13.18214370    -13.94504626
  H     14.40830483     11.63280139    -14.71776330
  H     18.14725795     17.42642064    -17.72376766
  O     21.49320791     16.38226704    -14.42863747
  H     22.03046555     13.08225333    -15.48944969
  H     19.52637693     17.79785965    -17.15247971
  O     16.86651435     13.20437987    -12.46221864
  H     21.30245669     13.37150326    -16.81942640
  H     16.77288728     16.02772252    -10.96638752
  O     17.59758099     15.98457676    -18.70267996
  H     19.36919223     14.62665736    -16.86785475
  H     16.85024940     14.93047759    -12.04652821
  O     18.91356085     17.05214145    -13.56779781
  H     19.58508394     13.58683095    -18.01386817
  H     19.36889247     10.49960761    -15.60021781
  O     18.59751084     18.05092497    -17.13679578
  H     15.87153584     16.80817552    -13.19837592
  H     17.96591457     11.15909067    -15.62687725
  O     16.91969257     15.88836799    -11.89917560
  H     16.03428992     17.88311978    -14.30045951
  H     18.72244326     14.22892163    -14.79292005
  O     18.65407804     10.81803221    -15.03607462
  H     20.30772228     13.23993475    -13.58101465
  H     18.55787203     15.75969866    -14.89757296
  O     18.41304211     14.93595612    -15.37605690
  H     19.22544244     12.22131488    -14.09238849
  H     15.32648085     14.84828143    -16.43053940
  O     16.12026682     14.48012782    -16.83580723
  H     19.52742089     11.31158473    -18.01805954
  H     16.86548990     14.69399375    -16.25275205
          69
 Energy    -248.89223165639828     
  O     19.63025456     11.13462076    -10.67500434
  H     19.20982204     11.15916348     -9.80608930
  H     18.50820972     11.31030238    -12.13681937
  O     18.78759202      7.03293673     -9.39768298
  H     20.58537271     11.20731694    -10.54957325
  H     22.45033553     10.11415409     -9.98722076
  O     20.07149073      4.33807062    -11.64358191
  H     19.11323975      7.55547829    -10.15056902
  H     23.11619488     11.49944600    -10.15733777
  O     20.65718389      5.63681850    -14.15860856
  H     18.30981655      6.28669261     -9.78435672
  H     19.11041334      8.03686771    -13.21840318
  O     22.34872121      8.66616515     -9.04810512
  H     19.13933754      4.48754507    -11.44054887
  H     19.28852250      8.65505386    -14.61037971
  O     17.41189672      5.21099847    -10.95659298
  H     20.20770103      4.65756158    -12.54329486
  H     21.14447027      5.28536811    -10.51793147
  O     22.09989064      7.30834799    -12.37336221
  H     20.80332994      5.25450666    -15.02019845
  H     20.70797158      6.34582772     -9.52636111
  O     20.03624411      8.79983061     -7.54291670
  H     20.03968134      6.37753604    -14.27792183
  H     14.92953556      6.24354778    -12.91585677
  O     14.33260071      7.51471079     -9.23171733
  H     21.61345722      8.76355106     -8.42311006
  H     13.65476216      6.89494517    -12.36475884
  O     19.64250754      8.46284179    -11.54161312
  H     22.36529681      7.73539961     -9.28697354
  H     16.33163824      9.31567001    -10.93979061
  O     18.22468371     10.93343289     -8.24394544
  H     16.55771564      4.93201129    -10.60583656
  H     16.65813485     10.05783084    -12.27945189
  O     17.94495293     11.12431331    -12.90132199
  H     17.21143190      5.80114772    -11.69776445
  H     16.44115075      7.80638543    -12.60866025
  O     22.41451382     10.94747905    -10.49178856
  H     22.06174760      6.84179527    -11.52689588
  H     17.37857874      7.15146273    -13.63877694
  O     19.02360324      7.84112386    -14.16592081
  H     21.75859348      6.69412670    -13.03580096
  H     22.30468059      9.04759939    -13.00041734
  O     21.49223858      6.00983958     -9.97318615
  H     19.55177645      8.09784039     -7.99610201
  H     22.29884925     10.42686386    -12.32974674
  O     14.05026983      6.03804582    -12.56835851
  H     19.48772788      9.58767352     -7.63055727
  H     15.83158955      8.43358626     -9.06114660
  O     16.05792808      9.42397001    -11.86024842
  H     14.44596001      6.57843700     -9.43630185
  H     17.36311928      8.19437485     -9.19439079
  O     16.66433922      6.95859944    -13.02059179
  H     13.86191071      7.89543133     -9.98371755
  H     12.79793565      9.37718361    -11.92454926
  O     22.14232928      9.98534993    -13.17270112
  H     20.54709496      8.20130568    -11.75991369
  H     14.30453584      9.04776560    -11.82588196
  O     16.68439372      8.88107104     -9.17031836
  H     19.64632916      9.39921945    -11.30508424
  H     20.77781047     10.28375465    -14.24055045
  O     13.41194329      8.68443655    -11.69537621
  H     17.57473126     10.26530115     -8.52331529
  H     20.26517483     10.90680193    -15.55899040
  O     19.99514200     10.37837483    -14.81282109
  H     17.76757062     11.53858613     -7.66562507
  H     14.40306103      5.17189361    -11.07977382
  O     14.70508877      4.83136297    -10.21817410
  H     18.55318338     10.93257481    -13.62363606
  H     14.17831432      4.06009714    -10.02578290
          69
 Energy    -248.89219127087023     
  O     19.37681018      9.26354889    -15.44976924
  H     19.79337635      8.41224445    -15.24682687
  H     20.07498145      5.99060212    -15.16413622
  O     21.47950171      5.93030027    -12.29009511
  H     19.57498224      9.82605927    -14.69397448
  H     15.75599279      9.00736785    -15.28656776
  O     16.02835991      9.29181060    -10.14316644
  H     21.26675609      6.78523305    -11.87474707
  H     15.92854599      9.58379497    -13.86635671
  O     13.19202824     10.54686426    -12.99822515
  H     22.37128517      5.71762633    -12.02736165
  H     18.67570409      6.95396804    -13.53206131
  O     17.04361653      8.38971886    -16.53186976
  H     15.34591896      9.97239859    -10.08687155
  H     17.24405912      6.44682145    -13.17536042
  O     11.61338595      8.18306599    -12.72366913
  H     15.55020868      8.45443531    -10.24049606
  H     14.62576090      6.32684880    -13.46808511
  O     18.31681865      7.58605447    -10.19549652
  H     12.52820301      9.84570383    -12.97324220
  H     14.46988556      7.85095113    -13.73362681
  O     14.52583969      6.97499203    -10.51864330
  H     13.85452211     10.25886943    -13.63853235
  H     19.59463093      4.05430299    -14.88401007
  O     19.69441087      3.80775471    -13.16900732
  H     17.00258043      8.69006602    -17.43700448
  H     20.01837524      3.67622709    -16.32575379
  O     16.68502884      5.27387768     -9.96433209
  H     17.86740692      8.75112923    -16.15908743
  H     13.60921756     10.89921375    -11.32748328
  O     17.21677431      3.42803719    -11.85255877
  H     12.41765207      7.68863181    -12.95922025
  H     13.52845518     11.86118486    -10.11943187
  O     20.22948622      6.78473776    -14.63704361
  H     10.89077657      7.76823692    -13.18740885
  H     20.55132802      9.09846857    -11.82857679
  O     15.26276304      9.31170254    -14.51562926
  H     17.64930502      8.25521736     -9.99786866
  H     19.99918941      8.15841470    -10.73296201
  O     17.92636290      7.08718546    -12.94031049
  H     18.18963325      7.34126993    -11.12638281
  H     19.92997831     11.46845697    -12.69983375
  O     14.06057404      7.09315351    -13.29377620
  H     14.40912301      6.97833041    -11.47785285
  H     18.84322178     10.37046285    -12.75294566
  O     19.57113764      4.34494745    -15.81479276
  H     13.72712772      7.38106146    -10.15200709
  H     16.28494045      5.17168493    -14.56893353
  O     13.79837610     10.98341786    -10.37588748
  H     20.23357178      4.46494478    -12.71370141
  H     16.33737547      4.46106030    -13.15511407
  O     20.77709995      8.33933034    -11.27947196
  H     18.89138434      3.68158580    -12.64822663
  H     17.07084312      6.46397628    -16.30450834
  O     19.78869539     10.54596263    -12.89890122
  H     17.35540894      5.95441196     -9.83095526
  H     17.88704726      5.14322935    -16.15918899
  O     15.95859316      5.19255035    -13.65497367
  H     15.85359996      5.75515182    -10.07790251
  H     12.72197503      9.39167850     -9.95850999
  O     16.99801739      5.51786088    -16.12928825
  H     17.04030331      4.06119291    -11.13278706
  H     11.91059380      8.41454023    -10.82555428
  O     12.31100555      8.51860312     -9.95253903
  H     16.94230525      2.57130796    -11.53636142
  H     16.78172331      9.67796977    -11.73469341
  O     17.20409910      9.70607184    -12.60388893
  H     20.79635901      6.52529859    -13.89907078
  H     17.46615220      8.79364368    -12.81041354
          69
 Energy    -248.89214492530729     
  O     18.34070034     10.61840394     -7.48658433
  H     19.08262265     10.27330280     -8.00952055
  H     19.50887905      9.04373749     -9.69115917
  O     17.59199989      5.84121420     -9.34463385
  H     18.67026105     11.40235211     -7.05305955
  H     16.29937013     10.30429207    -12.91311302
  O     18.28309562      5.26347997    -13.01041215
  H     17.06639334      5.41510020    -10.03506967
  H     15.42863098     10.00558774    -14.16032666
  O     18.20953872      8.04039527    -13.22744427
  H     17.81308326      6.72209019     -9.68762632
  H     21.07998483      3.93996873    -12.51933915
  O     21.83349592      7.33631223    -11.99363710
  H     18.24861309      6.21447110    -13.18552778
  H     19.84647958      4.86915575    -12.43115190
  O     15.95170647      5.05939074    -11.44771034
  H     17.46435475      5.05022835    -12.54628403
  H     12.68338330      5.32472040    -11.29405179
  O     20.70889402      9.24998264    -13.52525835
  H     19.02042185      8.52034999    -13.44207443
  H     13.14988658      6.73045176    -11.71603419
  O     22.04518645      7.42037530     -9.13092309
  H     17.45154827      8.58988453    -13.46244864
  H     13.56473602      8.13912782     -8.94252127
  O     13.44570104      5.01377797     -8.15324955
  H     21.50525475      6.43364579    -12.09422372
  H     14.96614265      7.73561947     -8.42404580
  O     18.07121093      8.28679723    -10.43856644
  H     22.00238537      7.45138659    -11.05154114
  H     15.13319729      8.29708177    -12.30079468
  O     16.40325969     10.32396710     -9.44404376
  H     15.59940715      5.94780593    -11.60679909
  H     14.78128233      7.93812447    -10.81981375
  O     20.20932297      9.53656346     -9.23493463
  H     15.19986486      4.50327808    -11.21253839
  H     20.20796509     10.59297630    -12.26701864
  O     15.88824406      9.59021878    -13.43624174
  H     21.15925243      8.57643460    -12.98319050
  H     20.09036619     10.74761069    -10.74268407
  O     20.74141699      4.71370560    -12.07770659
  H     21.28514579      9.44290967    -14.25969499
  H     16.23556600      6.61547557     -6.56879859
  O     12.37072244      6.22555391    -11.44373132
  H     21.44443754      6.65288359     -9.11758200
  H     16.49058581      6.16757466     -8.02761506
  O     14.50320945      8.35758759     -9.00133725
  H     22.80900595      7.18013314     -8.61380595
  H     11.95910239      6.93185058     -9.89575586
  O     14.81128427      7.59532521    -11.72313454
  H     14.25508771      5.39920607     -7.79549455
  H     11.00513404      7.58232893     -8.86308158
  O     19.85292555     11.16782266    -11.57810926
  H     12.83995173      5.75287842     -8.29145382
  H     16.77034085     11.20150895    -11.00640304
  O     15.79916542      6.43299927     -7.39706121
  H     18.12512452      8.21865082    -11.40017545
  H     18.05905442     11.41857798    -11.83071592
  O     11.90216765      7.28666376     -8.98988360
  H     17.45947024      9.00060341    -10.21444518
  H     19.41379883      5.39184620     -9.23126759
  O     17.09336106     11.40491820    -11.89512232
  H     16.97183545     10.47107380     -8.67441678
  H     20.50976279      4.99210800    -10.23631665
  O     20.36954122      5.30139281     -9.33141497
  H     15.65888888      9.76956742     -9.17824729
  H     13.29231654      2.87782920    -10.52439739
  O     13.60336648      3.77759232    -10.57332419
  H     20.93073427      8.90957983     -9.10864005
  H     13.55937842      4.14100475     -9.67071145
          69
 Energy    -248.89189481431646     
  O     16.42069487     12.05689634    -12.47363610
  H     16.60019963     11.12063460    -12.30987631
  H     13.46590140      7.79393262    -12.55934339
  O     18.03799771      7.99973328     -8.41724135
  H     16.34013078     12.46829656    -11.60514265
  H     12.89997118     12.05250868     -9.13961308
  O     15.91150327      5.64229293    -10.79017314
  H     17.60332916      8.85660496     -8.50677904
  H     13.12403042     12.20811980    -10.65802184
  O     12.35512841      5.41801479    -10.04096238
  H     18.17171955      7.68310488     -9.31880058
  H     15.86025563      9.06300127    -13.82531393
  O     16.73699048      6.10654189     -6.89410842
  H     15.25735790      5.28120005    -11.39791280
  H     14.92261462      9.96604770    -14.62745387
  O     16.53089663      9.31071023    -11.90613333
  H     15.44430309      5.83631767     -9.96636866
  H     17.31662077      6.53216838    -11.04354552
  O     16.03593217     12.97928449     -9.78743097
  H     13.04677604      5.63313764     -9.40029480
  H     18.77564446      6.63092062    -11.56411210
  O     10.38174268      9.66961856     -9.90701175
  H     12.80321246      5.10238771    -10.83409256
  H     14.31069390      7.20876495     -8.39444326
  O     16.51601976     10.28316440     -9.18782192
  H     17.32563588      5.75510163     -6.23236218
  H     15.20124349      6.08086469     -7.82129428
  O     13.86858280      8.92834724    -11.25745302
  H     17.24644503      6.77838967     -7.37795717
  H     11.83464630     11.09901767    -12.44240137
  O     10.17404008      6.91120009    -10.48448562
  H     15.61149478      9.07801470    -11.70045797
  H     13.24242165     11.51129908    -12.99716604
  O     13.37148393      7.33982764    -13.41234903
  H     17.09794406      8.54989918    -11.72118959
  H     11.52541778      7.63655707    -13.35962189
  O     13.38354203     12.56543158     -9.79722644
  H     16.24554394     13.82360950     -9.39851789
  H     10.43948473      7.44857691    -12.27366475
  O     15.23143016      9.05439192    -14.55526948
  H     15.06528941     12.88687303     -9.76208870
  H     10.28159266      9.54438525    -12.91622107
  O     18.07362216      7.13717100    -11.16565213
  H     10.22676719     10.04722423    -10.77967465
  H      9.36403883     10.77357109    -13.13449873
  O     14.48262021      6.25817550     -8.44519775
  H     10.32733906      8.71194552    -10.02194012
  H     11.37725654     10.39683634     -8.70759844
  O     12.74757884     11.29709300    -12.19603408
  H     16.43699607     11.24292713     -9.25686506
  H     11.48120894     10.98105032     -7.27770764
  O     10.61657823      7.86628044    -13.12686492
  H     16.59338390      9.96291323    -10.09551564
  H     13.61938415      5.67526331    -12.89078809
  O     10.14035165     10.47679581    -12.66853383
  H     13.45410486      9.75883195    -11.53069262
  H     13.63569181      4.14517703    -13.12035020
  O     11.99042084     10.79301113     -8.06132069
  H     13.84124012      8.88383117    -10.29469720
  H     15.20280529     12.00426607    -13.70438934
  O     13.76850792      4.81725850    -12.45742354
  H     10.96657067      6.37997395    -10.28839979
  H     14.54163658     12.49046063    -15.01778589
  O     14.47535582     11.83263916    -14.33108040
  H      9.42458801      6.38857430    -10.21118068
  H     13.41635878      9.62686701     -8.22861015
  O     14.10961077      9.00967920     -8.49285110
  H     13.95557177      7.82236644    -14.01195629
  H     14.93361634      9.50574206     -8.59641900
          69
 Energy    -248.89180196893102     
  O     -2.69850323     -0.83970244      1.43510941
  H     -2.45162831     -0.08958730      1.99501171
  H     -2.05638498     -3.82222182      3.06555730
  O     -2.09077539      3.39138893      1.10741702
  H     -2.37674072     -1.63163250      1.88133731
  H      2.50762991      1.39087455      5.11345443
  O     -1.09618912      1.89111210      5.48269533
  H     -1.53827604      3.01181533      0.40637592
  H      3.80639621      2.19977248      5.34537200
  O      3.56377225     -1.39228358      1.20370568
  H     -2.98858373      3.42531782      0.75697272
  H      3.55322668     -3.80416055      3.28774286
  O     -1.33709622     -0.42864009     -0.99649929
  H     -1.87614528      2.05678941      6.00575490
  H      3.15787210     -2.61646699      2.37832615
  O     -3.48028449      0.06491062     -2.74201134
  H     -1.39982534      1.67514309      4.58468725
  H     -1.87428148      2.09316781      2.32059021
  O     -4.69948037      0.39222060     -0.16161049
  H      3.59661735     -0.46562001      1.47647183
  H     -0.82626243      0.97015406      2.61924973
  O     -2.83602680      2.68689861     -2.43348457
  H      2.85268213     -1.44651352      0.55104904
  H      0.71467541     -3.09791540      0.67330618
  O     -0.50407370      2.25063256     -0.86432537
  H     -1.79186114     -0.59901176     -0.15905651
  H      1.36142480     -3.86770774      1.83288120
  O      1.03629720     -1.43070026     -0.05586212
  H     -2.01613507     -0.38183983     -1.67974205
  H     -0.13024045     -2.32741112      3.86274232
  O      0.65876711      0.09762258      2.25628896
  H     -3.75260543     -0.16597894     -3.62549492
  H      1.42343636     -2.44099915      3.87561292
  O     -1.53827458     -3.07098775      2.78710894
  H     -3.27287352      1.01705346     -2.74787683
  H     -0.53697527      4.33777042      1.69997590
  O      3.11189028      2.04126894      4.71129818
  H     -4.41211630      0.15498389     -1.05234289
  H      0.53572150      4.35125853      2.82044192
  O      2.80876750     -3.28722214      2.99289817
  H     -4.13636060     -0.10735841      0.44351471
  H      3.22953823      1.64517910      2.91023136
  O     -1.69491609      1.32091319      2.87476625
  H     -3.44450379      2.99088090     -1.74810171
  H      2.84933655      1.97822525      1.41970049
  O      0.57137059     -3.83833808      1.28030054
  H     -1.95933578      2.67962893     -2.02644179
  H      0.43532527      0.83180473      5.77493584
  O      0.67644237     -1.91552206      4.19575480
  H     -0.65796654      1.29577559     -0.87838405
  H      1.07519641     -0.50749477      5.35054100
  O      0.39108303      4.52869651      1.87905516
  H      0.40210807      2.41140234     -0.57924592
  H      0.16100014      3.24373675      4.90531098
  O      3.15066223      1.28121878      2.01816100
  H      0.90125441     -0.91086659      0.75161926
  H      1.66409050      3.29889882      4.58681694
  O      1.27107945      0.34762017      5.75413802
  H      0.29263135     -1.19245965     -0.62314989
  H     -5.43896994      3.49234430     -0.11231288
  O      0.84060976      3.79309754      4.49813150
  H      0.70418166     -0.56355946      2.96003961
  H     -4.67611726      2.14553437     -0.11070432
  O     -4.56729499      3.11149262     -0.17316997
  H      1.51492090      0.54397753      2.21929975
  H      1.45477808      3.68855165      0.84358572
  O      1.99959886      3.13798936      0.24954427
  H     -0.84045631     -3.41375732      2.19922747
  H      2.49087414      3.73765075     -0.30663514
          69
 Energy    -248.89163052158614     
  O     20.00633885     11.67965039    -19.01943158
  H     20.65740461     12.16755842    -18.48415708
  H     17.66536946     13.92717124    -18.88165271
  O     18.71136901     17.83972025    -13.98444043
  H     20.49727434     11.20418631    -19.68421520
  H     19.76575761     15.31417765    -16.89437317
  O     22.15455677     12.88120280    -14.70409896
  H     19.67088655     17.90948245    -13.95412668
  H     19.56336468     15.24355693    -18.42725230
  O     15.84649067     14.60923179    -13.39984604
  H     18.46607749     17.87112229    -14.92031553
  H     14.37331810     11.93461980    -13.75054150
  O     16.37358957     13.24310765    -17.62748800
  H     22.96690010     12.62185437    -14.27722352
  H     14.44812366     13.46510810    -13.87075143
  O     15.57893761     10.50726335    -13.25817497
  H     21.82754460     13.66454459    -14.22809275
  H     18.23738917     12.22925571    -13.49192711
  O     13.93776390     12.10690019    -16.82172639
  H     16.45711535     13.87836982    -13.22392636
  H     16.90868780     11.74795481    -12.86258564
  O     21.67803783     13.22230377    -17.52329731
  H     16.17242122     15.36879593    -12.90097279
  H     15.07587604     10.62167077    -16.33202719
  O     21.88331862     17.52404753    -16.76494583
  H     16.97417946     12.51925994    -17.40101479
  H     16.57530788     10.26364059    -16.36798654
  O     17.16084422     16.71189985    -12.09640151
  H     15.48051348     12.90579032    -17.48213237
  H     18.69289184     17.19801618    -17.22511622
  O     19.45549333     12.03391749    -14.85019503
  H     15.32490358      9.71008333    -12.80113954
  H     17.34817829     16.97286345    -16.52037529
  O     18.49645834     14.12328054    -19.33299523
  H     15.67541283     10.27321848    -14.19912832
  H     20.43939802     14.93252840    -12.69531481
  O     20.09553456     15.66625295    -17.73698463
  H     13.87629018     12.37411485    -15.88687771
  H     21.29468879     15.98252731    -13.50795191
  O     13.94888211     12.69352364    -14.16960301
  H     13.04720099     12.08389624    -17.16077814
  H     22.17006639     18.39845627    -13.72037219
  O     17.56118863     12.45958418    -12.84004591
  H     21.89471441     13.11521805    -16.58937583
  H     21.71466383     17.68969724    -15.01835161
  O     15.74121719     10.05141508    -15.92776530
  H     21.30989448     14.10802085    -17.61931910
  H     18.55225734     13.81245547    -11.90941902
  O     18.03897829     17.63586807    -16.67415402
  H     22.21296124     18.07059511    -17.47437102
  H     18.40430178     15.33358817    -11.68799010
  O     21.07065513     15.04862040    -13.42324276
  H     21.28831757     16.88088655    -17.18172869
  H     18.59045481     11.30715766    -16.25028762
  O     21.57033393     17.73799423    -14.05734137
  H     17.69625948     17.15408587    -12.78071184
  H     18.71621670     11.15534113    -17.78514924
  O     19.04285610     14.60971899    -11.67217138
  H     16.84078473     17.39492597    -11.51364429
  H     19.59019932     14.99356294    -14.64900058
  O     18.09291298     11.08803360    -17.05138991
  H     20.41001412     12.02589012    -14.72375667
  H     18.21557515     15.04463242    -15.43430085
  O     19.10070971     14.65965455    -15.41007285
  H     19.25503634     12.94080976    -15.13906297
  H     16.12457525     15.18833641    -15.09781129
  O     16.49211296     15.45337037    -15.95124128
  H     18.96434922     13.28109132    -19.38884868
  H     16.40211263     14.70501990    -16.55803125
          69
 Energy    -248.89138493300010     
  O     14.28377294      6.49604532    -15.74131576
  H     14.45563135      5.62158893    -16.10940281
  H     20.06103549      7.08664811    -17.61548143
  O     17.50804675      7.65238074    -11.80554905
  H     15.16024268      6.90211666    -15.63138507
  H     17.53882382      7.06910601    -15.28205761
  O     20.03001437      5.19462995    -17.20980619
  H     18.32406652      7.85428645    -12.27828782
  H     16.99491132      8.51304846    -15.59393462
  O     17.52776301      4.86623998    -18.20150662
  H     16.80933165      8.22294657    -12.15155517
  H     14.77224519     10.13948186    -13.72916718
  O     14.40516545      9.22919740     -9.72335782
  H     19.15591932      4.99889489    -17.59502588
  H     14.12620820     11.47547700    -14.16540402
  O     13.95905889      6.56245635    -12.98798575
  H     20.62736668      4.52351434    -17.52731193
  H     14.32935669      5.64790826     -9.59818292
  O     16.90142092      4.03628163    -14.34680885
  H     16.77116384      4.53338159    -17.70495442
  H     14.82027635      4.49164499     -8.69209436
  O     13.11049853      6.71147527    -10.29851557
  H     17.29927144      5.76714526    -18.47020560
  H     13.71767734      8.15619206    -16.42778013
  O     19.56335263      9.56677781    -15.45461813
  H     14.23255000      9.88415188     -9.05296680
  H     13.85091498      9.60724446    -15.90709721
  O     15.34257942      3.99574134    -16.54767213
  H     15.18236934      8.72022139     -9.42816415
  H     19.79644314      8.68099443    -14.02199172
  O     18.90450873      5.94046822    -14.77195716
  H     13.91854907      6.48561578    -13.95002976
  H     20.73965050      8.28898685    -12.85797294
  O     19.80405988      8.00843007    -17.73306580
  H     14.69130982      6.00313517    -12.68999667
  H     15.87257949      5.03736089    -11.01771610
  O     16.77391535      7.57426197    -15.58568568
  H     16.59026467      4.27541494    -13.46466396
  H     16.72774943      5.98364643    -11.90572897
  O     14.59248307     10.71128192    -14.49464062
  H     17.66757172      4.60557318    -14.50088755
  H     17.02819592      7.65418190     -9.98701191
  O     15.11875212      5.15830892     -9.30435904
  H     13.19236714      6.64445013    -11.26001246
  H     16.16899157      6.75418814     -9.07166168
  O     13.65816547      9.08341107    -16.69422302
  H     13.36931483      7.61284650    -10.07158192
  H     14.79316771      9.63629451    -17.90260507
  O     19.89267658      8.09352554    -13.24904712
  H     19.74454069      9.06222480    -16.26214326
  H     15.14540355     10.51871373    -19.12578423
  O     16.15434944      5.20353985    -11.92523872
  H     18.74931705     10.05642431    -15.62299477
  H     14.65882791      8.18339155    -12.66914587
  O     16.53023914      7.64550135     -9.15776341
  H     14.95584943      3.13124896    -16.65880206
  H     14.83442305      9.21174498    -11.51508814
  O     15.52807873      9.96153107    -18.45399129
  H     15.88653239      3.95781109    -15.73871796
  H     16.60081261     10.34746222    -16.90361921
  O     15.08680807      9.01921219    -12.42766135
  H     19.40865249      6.56680129    -14.23983804
  H     16.19335598     10.62534467    -15.44318284
  O     16.94583371     10.39434182    -16.00279850
  H     19.42181673      5.71061853    -15.55570851
  H     16.94479417      7.50651296    -17.42788011
  O     17.06109344      7.60797230    -18.38445202
  H     18.91701702      7.97163699    -18.11378243
  H     16.53855901      8.38113844    -18.62491469
          69
 Energy    -248.89070437227585     
  O     -5.49301437      0.91287013     -1.01450957
  H     -4.95450266      0.12487806     -1.17559115
  H     -1.28841759      3.62133919      3.31493021
  O     -2.77258881      2.80212694     -4.43599304
  H     -6.01690518      0.71117828     -0.22910337
  H     -4.22168771      3.59319483      0.37737952
  O     -6.62731115      0.16234597      1.44739668
  H     -3.61504551      2.37137964     -4.20388529
  H     -4.60281201      2.44485506     -0.63393824
  O     -0.47246864     -1.71621443      1.26860480
  H     -2.88469018      3.17692579     -5.30563030
  H      0.59317736      1.11882716      2.72904052
  O     -1.46966153     -0.54752696     -1.08732275
  H     -6.12822370      0.75496888      2.03800566
  H      1.31038016      1.07705624      1.35686997
  O     -4.02962597     -1.45883561     -1.41061792
  H     -7.51256120      0.10568230      1.79665149
  H     -0.70341213      4.04816252     -0.45859500
  O     -1.46114224      0.34246488     -3.79796654
  H      0.08642218     -0.99427553      1.59210651
  H      0.55017226      3.44901179      0.25134956
  O      1.84485312      2.16225045     -0.13199279
  H     -0.71055094     -1.48036745      0.36347223
  H     -4.05645121     -2.05321005     -4.57526781
  O      0.40236809      1.99965439     -2.42071436
  H     -1.57250719      0.21979599     -0.50418639
  H     -3.95422619     -1.44428893     -3.15713607
  O     -2.64738208     -2.21644345      2.75623625
  H     -1.34277157     -0.20984536     -1.98112287
  H     -2.37933257      0.84050241      2.20295364
  O     -0.54202471      2.03502419      4.07019929
  H     -3.10941856     -1.21072223     -1.23680244
  H     -2.65537843     -0.41612093      3.08069817
  O     -1.68984283      4.30152169      2.76160666
  H     -4.38540597     -1.83928253     -0.59473256
  H     -4.21527171     -2.17765329      1.67861172
  O     -3.97124352      3.15294924     -0.44506480
  H     -2.14570604     -0.30379666     -4.01096292
  H     -5.52110820     -1.42033741      1.30580292
  O      0.97726291      0.52533250      2.07471973
  H     -1.83577936      1.19757881     -4.04908908
  H     -1.27722207      2.25236565      0.67345422
  O     -0.29058954      3.89966134      0.40263696
  H      2.77073554      2.27834623     -0.32958144
  H     -2.73906359      2.02849076      0.25872774
  O     -3.81872691     -1.25935927     -4.10376773
  H      1.39646059      2.00156250     -0.98159458
  H     -3.37503352      4.34685270      2.36245093
  O     -2.62120953      0.54824772      3.09616894
  H     -0.31359253      2.63282816     -2.27372728
  H     -4.67359322      5.18582926      2.32236143
  O     -4.94666803     -2.15179651      1.04913418
  H      0.02510463      1.32137262     -2.99054384
  H     -4.68836757      0.44713036     -4.00542274
  O     -1.96247190      1.57676011      0.61507133
  H     -1.84425772     -2.10897529      2.21220084
  H     -5.31165863      1.30455719     -2.88679590
  O     -4.30873215      4.33807211      2.08305931
  H     -2.49365030     -2.96420484      3.32708061
  H     -4.92303719      2.68885715      2.75184341
  O     -4.96427512      1.34657524     -3.78610134
  H     -0.34671188      1.88688022      4.99243439
  H     -4.27520256      1.34506498      3.14644156
  O     -5.12630051      1.77685949      2.98999161
  H     -1.29885331      1.46494857      3.84982899
  H     -2.55703939      3.64488465     -1.46934290
  O     -1.77057337      3.80503686     -2.01237838
  H     -1.15378504      4.32497538      1.95605962
  H     -2.05931053      3.62922529     -2.91680785
          69
 Energy    -248.89067509433912     
  O     11.81927323     10.29468381    -15.10188380
  H     12.37324372     11.08180268    -15.12551522
  H     16.06323718      5.86450448    -14.72625424
  O     16.00056474      6.59505505    -13.03080325
  H     12.24806913      9.64958125    -15.68410058
  H     16.13491843     12.46417590    -17.57045010
  O     16.74793159     10.70029717    -11.21249081
  H     15.31823147      6.56944506    -12.34650711
  H     16.60776664     11.92158327    -16.20138710
  O     17.91204851     11.77499192    -15.12295734
  H     16.72635978      7.13044700    -12.68522590
  H     14.50277145      8.69856204    -15.13195043
  O     13.11587375      5.70689073    -15.85262724
  H     16.03536384     10.92005913    -11.83150771
  H     15.29716672      8.01260437    -13.97439929
  O     15.16754464      9.65071685     -9.21218495
  H     16.31370634     10.40234087    -10.40095898
  H     10.01750006      9.02139312    -12.87363870
  O     14.01285574      6.80965496    -11.12178056
  H     18.06917640     10.82317719    -15.06255950
  H     11.24543476      9.44679328    -13.71274348
  O     14.61283728     11.02590577    -12.91388449
  H     18.09628442     12.13512062    -14.24560525
  H     18.25039567      7.39505480    -10.74580859
  O     17.53085451      7.33683626    -17.14648093
  H     12.54596160      5.00874924    -16.16373844
  H     19.02524474      6.31564081     -9.97506608
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  H     12.82392503      5.92387817    -14.94835677
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  H     12.85062394      6.37290398    -12.56620885
  O     15.95806099      5.69506800    -15.67284497
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  H     17.87102489     11.94514933    -11.92856612
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  H     19.01807188     12.96486108    -11.90352762
  O     15.14082737      8.85260133    -14.42523033
  H     13.71939377      7.73288577    -11.13637067
  H     17.59107936      9.21729169    -11.83182663
  O     10.96242370      8.91701027    -12.94530706
  H     14.79882419     10.23654782    -13.44953864
  H     18.17723915      8.59861270    -13.12802545
  O     18.21852344      6.82441833     -9.96130672
  H     14.29715493     11.69029584    -13.53377657
  H     15.69878113     10.10678273    -17.51735407
  O     12.31785727      6.43583462    -13.36815008
  H     18.05468630      6.81859334    -17.75101368
  H     16.25094541      8.66406342    -17.68758775
  O     18.38152241     12.55476866    -12.48361306
  H     16.97017248      6.71023132    -16.65310047
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  H     15.72329367      6.39004839     -8.02723466
  H     13.59293250     10.06976197    -11.74272208
  O     15.50272620      9.23919812    -17.89005877
  H     16.61618288      6.79580453     -9.22296440
  H     14.42655032     12.28857645    -15.76430527
  O     13.09507048      9.45420453    -11.18571768
  H     16.91708627      9.04770716    -14.77949930
  H     13.49599653     13.41645379    -15.27074725
  O     13.70018463     12.49168029    -15.15329220
  H     17.98271241      8.42805688    -15.69443644
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  O     13.29639053      8.43706623    -16.50802467
  H     15.00775732      5.61002445    -15.81470610
  H     14.00511608      8.65272569    -17.13365392
          69
 Energy    -248.89043211213186     
  O      1.34263892     -2.12289311     -8.45610985
  H      1.14051643     -2.94177414     -8.93359646
  H     -2.54642430      2.75483329     -6.92537407
  O     -0.92652493      0.12549760     -6.54191974
  H      0.75352543     -1.43860094     -8.80022381
  H     -0.55568982     -0.22090464     -3.08502804
  O     -3.07674160      2.80647332     -8.59072035
  H     -1.46258929      0.90225668     -6.33626249
  H     -1.55460275     -0.56963534     -1.95780159
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  H     -2.97388551     -2.03622297     -8.63002302
  O      0.55547001      3.52333831     -7.06439433
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  H     -1.95938469     -1.19905230     -9.48269519
  O     -0.32927242      2.63996479     -9.59709634
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  H     -4.59528253      0.01996609     -5.62139287
  O     -0.49604746     -0.15958757     -9.18932529
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  H     -6.06693434     -0.32709154     -5.93574447
  O     -2.16885794     -4.18631977    -10.62503271
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  H     -2.90089020     -2.52596465     -6.29650890
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  O     -5.17636580     -0.42420269     -6.26325995
  H     -2.40226688     -3.28722984    -10.33515718
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  O     -3.56772556     -2.60314257     -6.99547879
  H     -2.57396557     -4.31373481    -11.47871538
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  H     -3.19643977     -4.33835252     -7.60049801
  O      1.57937899      1.19277332     -6.13487058
  H      0.80452160     -2.96772321     -6.87013574
  H      1.59864430     -0.73682439     -3.72457945
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  H     -1.25532495     -5.64598258     -7.40553165
  O     -0.33329988     -5.85847746     -7.17262043
  H     -1.21981073      3.08633032     -6.21632437
  H     -0.31399260     -6.78080303     -6.93323760
          69
 Energy    -248.89032467494280     
  O     -8.33955900     -2.46396208      5.16808946
  H     -8.90618556     -1.68380784      5.25226971
  H     -6.99374702      0.49598172      4.10460275
  O     -8.80902700     -3.16207438      2.59421821
  H     -7.47326340     -2.21887946      5.51126195
  H     -5.08122539     -1.62851578      5.27422641
  O     -5.48245990      1.11139143      0.11172063
  H     -8.68688500     -2.95229539      3.53749990
  H     -5.19402132     -2.15529089      6.72567833
  O     -6.39553251      1.01752487      5.77935798
  H     -9.22854435     -4.01781127      2.56095107
  H     -0.82581814      2.83315813      1.54375235
  O     -4.98033081      5.48455386      1.35732794
  H     -5.74928377      0.26853809     -0.27307825
  H     -2.09475015      3.45283594      2.17933378
  O    -10.41335410      1.21777077      0.66238573
  H     -6.29680475      1.50925685      0.45395316
  H     -9.47702920      4.92884172      4.58235968
  O     -4.22919483     -1.45581713      3.78189486
  H     -5.69602261      1.57677339      5.41441611
  H     -8.36774576      4.11860743      3.88134337
  O     -3.96759917      3.47354916     -0.16012794
  H     -6.03352171      0.15277300      6.00991589
  H    -10.66616967      1.21943067      3.79891738
  O     -9.73679828     -0.06116748      4.82481754
  H     -4.65460586      4.79189813      0.75421882
  H    -10.35685595      2.71068202      3.57032811
  O     -6.61340646     -1.35326574     -0.63579451
  H     -4.99600740      6.29725462      0.85902032
  H     -7.08389712     -2.62403594      2.22638249
  O     -3.75922357      0.92375825      2.32801861
  H    -11.13345346      1.49883258      0.10471991
  H     -6.25796804     -1.91658724      1.12270607
  O     -7.39620914      0.23964912      3.26386170
  H    -10.64210134      1.48324617      1.57208331
  H     -9.18374364     -1.85226909      1.16739964
  O     -5.66139193     -1.66212351      6.05664165
  H     -3.92713211     -0.64431047      3.35563867
  H     -9.63057079     -0.50789587      0.52077706
  O     -1.77713139      2.77701501      1.55372049
  H     -4.85420775     -1.84959733      3.15551881
  H     -9.00979499      2.77206076      5.82693814
  O     -9.20363375      4.03970157      4.36743185
  H     -3.13611485      3.22812784      0.26450254
  H     -7.99210794      1.72954799      6.32996675
  O    -10.84697056      1.96299643      3.20856749
  H     -4.48361584      2.65884351     -0.22236553
  H     -3.52721636      3.98635914      3.77209213
  O     -6.27178755     -2.12579029      2.06439226
  H     -9.00733191      0.00050871      4.19044493
  H     -3.60233340      5.04333619      2.66032880
  O     -9.12476367     -1.31508417      0.36858747
  H     -9.55395706      0.60444416      5.50728883
  H     -4.48775021      2.03810931      3.57779018
  O     -8.91216218      2.01919141      6.42146357
  H     -7.54602512     -1.30820251     -0.35433446
  H     -5.56712926      3.13692404      3.81368120
  O     -2.98068250      4.56278188      3.22072597
  H     -6.58784458     -1.89078216     -1.42273084
  H     -8.67923007      1.87198942      0.91791435
  O     -4.82894989      2.66927093      4.22868108
  H     -4.35594668      0.91847101      1.56692271
  H     -7.68388883      1.38805287      2.00119568
  O     -7.79933005      2.02790828      1.27752460
  H     -2.97904920      1.42829731      2.06547608
  H     -7.22324209      3.40941536      2.22738662
  O     -6.87918270      4.06487207      2.85411945
  H     -6.95090374     -0.55105923      2.93812925
  H     -6.29531844      4.65223409      2.35787336
          69
 Energy    -248.88999229820348     
  O     12.13892997      9.92659798    -10.85060017
  H     12.25072803      9.07010387    -11.27526023
  H     15.21396662     14.49257059     -6.62294283
  O      9.89383583      7.20998037    -10.94318547
  H     12.85175980     10.01478732    -10.20450868
  H     11.50796610     13.03031152    -10.50122019
  O     11.76501982     12.28309226    -12.18469279
  H      9.16623234      6.59356420    -10.91678065
  H     10.51744457     12.53820375     -9.45728234
  O     14.18759216     10.22511066     -8.99369145
  H      9.65927039      7.88572256    -11.60353292
  H     11.15949069      8.34143235     -7.99304129
  O     14.95029232      7.32087894    -11.01126871
  H     11.92071970     11.40620997    -11.79697121
  H     10.87077159      7.46293072     -9.23997008
  O     14.72277027     15.39736424    -11.40689196
  H     12.63205230     12.60665704    -12.45754580
  H     10.18961338     10.30122822     -8.02229473
  O      9.68625302     10.84000022     -9.76246094
  H     14.22401847      9.33465508     -8.62249327
  H     11.42341845     10.66068831     -7.17505943
  O     14.40590678     12.89724407    -12.66859127
  H     13.72863516     10.80975388     -8.37508621
  H     14.37159755      7.01816741     -7.52094204
  O     16.24311521     13.79846171     -9.54348990
  H     14.77877395      7.32027147    -10.06306541
  H     13.14523490      7.46364925     -8.35303682
  O     13.00678528     15.34773463     -9.29266316
  H     14.08462882      7.21945089    -11.43337390
  H     15.29387115     10.95345905    -10.16189083
  O     14.16916958     10.35609535    -13.99269672
  H     14.87584767     16.29658360    -11.68453222
  H     16.15264823     10.62436466    -11.40650813
  O     14.70209556     14.10315377     -7.32665712
  H     14.06287311     15.43398013    -10.69162287
  H     10.27362663      9.04411210    -13.51624397
  O     11.20953779     13.19640357     -9.59601632
  H     10.49367598     10.40416970    -10.07863249
  H      9.24023012      9.95545082    -12.82671364
  O     11.43464038      7.54026426     -8.46434230
  H      9.21698459     11.11395540    -10.55778835
  H      8.55847967     12.50367173    -12.75989575
  O     10.75657772      9.97755685     -7.30896872
  H     14.52649344     13.81293799    -12.38888491
  H     10.00213603     12.05760740    -12.43144175
  O     14.11587867      7.52948337     -8.28340045
  H     14.89418710     12.35936173    -12.02682404
  H     11.94795864      8.64778597    -15.36343040
  O     15.85267276     11.35065257    -10.84729929
  H     16.26443418     12.92801172     -9.96384084
  H     12.70492449      9.46266160    -14.29325746
  O      9.49570091      9.03283983    -12.94420931
  H     15.88352063     14.39960250    -10.20668456
  H     17.06583262      8.72084035    -12.85720638
  O      9.06971257     11.78159361    -12.40438417
  H     12.26218888     14.73589738     -9.35863757
  H     15.83970114      8.45535469    -11.95129976
  O     11.93578891      8.88344534    -14.43918938
  H     13.52420323     15.04924042     -8.53441737
  H     12.25918922      7.74978783    -12.99688836
  O     16.27866547      9.12685733    -12.50476128
  H     14.89707264      9.90022745    -13.55129065
  H     11.56967190      7.11758845    -11.74737931
  O     12.42323862      7.36829594    -12.12446147
  H     14.23854135     11.28106411    -13.73003672
  H     12.23990301     12.48020461     -8.23410764
  O     12.76605410     12.07498540     -7.53012010
  H     15.31382914     13.95567516     -8.07041619
  H     13.43450540     12.73096178     -7.29394842
          69
 Energy    -248.88993066164664     
  O     17.43353476      8.07222019    -12.93756764
  H     17.87382781      8.20791642    -12.09013354
  H     13.79205163      8.13704134    -14.88014357
  O     12.49593276     11.16006365    -10.47274482
  H     16.72996360      8.73766096    -12.98609320
  H     11.15979628     11.14228550    -15.15629695
  O     18.43917759      8.35349084    -15.45444878
  H     13.24476855     10.55163362    -10.35665804
  H     12.23752180     11.39010975    -14.07286419
  O     11.24775370      9.25414506    -12.19078771
  H     12.27115823     11.49400855     -9.60810096
  H     14.87936486      9.63078902    -11.32915843
  O     15.94225285      5.73656694    -12.82151059
  H     18.81016558      7.53929786    -15.78438625
  H     14.57385463      8.47484153    -10.34938260
  O     18.52265295      8.76018827    -10.46068206
  H     18.11877471      8.17113421    -14.55418779
  H     17.75983421      7.10741446     -9.80373474
  O     19.96348042     10.76650760    -11.80956209
  H     11.34279171      9.65927409    -13.06114681
  H     16.33300916      6.50523658     -9.70402905
  O     16.75889443     10.46409332     -9.05342536
  H     11.54715002      9.92002071    -11.56025286
  H     16.48169275     12.61135755    -12.41144279
  O     11.97924347      6.69966024    -11.66522297
  H     16.48046847      5.05491754    -12.39517793
  H     16.32584642     12.65553952    -13.96956579
  O     16.29985284     10.00389702    -16.41376040
  H     16.51044743      6.51357570    -12.92102882
  H     17.67010479      3.34256063    -10.77289531
  O     13.58107563      6.57478225    -14.07732132
  H     17.94721330      9.32060931     -9.92318721
  H     17.55667644      4.86322848    -10.57658334
  O     13.97661169      9.04163452    -15.17813793
  H     19.14377432      9.36662804    -10.88694812
  H     15.57354868     10.82327544    -13.06363323
  O     11.78966771     10.69907279    -14.59439202
  H     20.85714151     11.08432525    -11.71003214
  H     14.86042889      9.59469043    -13.72114789
  O     14.63158383      9.43757312    -10.41047077
  H     19.76784754     10.78289046    -12.76359007
  H     19.16664739     10.00350689    -14.86466933
  O     17.26674690      6.31928011     -9.54520288
  H     15.95390959     10.10838244     -9.46661639
  H     18.70601978     11.47027585    -14.79593758
  O     15.83882398     12.60225935    -13.13723599
  H     16.61811020     10.45445208     -8.11018584
  H     17.30655760     12.99362078    -16.29862565
  O     17.56736183      4.16184231    -11.24962644
  H     11.18934307      6.17664508    -11.55596079
  H     16.84199749     11.56709216    -15.91637260
  O     15.39570889      9.87885110    -12.96835166
  H     11.68774526      7.61180122    -11.84167660
  H     15.04575048      6.35376652    -11.33293428
  O     19.35368249     10.85010297    -14.44051116
  H     15.46350457      9.63596434    -16.09759134
  H     13.63120874      6.62561219    -10.79875180
  O     17.22229555     12.39271887    -15.56326125
  H     16.98426205      9.35724160    -16.20325472
  H     18.46233204     11.86258514    -11.33347630
  O     14.56628275      6.69909318    -10.56557291
  H     12.97749200      6.55963529    -13.32628831
  H     17.31526775     11.80134724    -10.31688006
  O     17.63434575     12.29066546    -11.08415531
  H     14.39951229      6.16827167    -13.76044885
  H     12.86888521     12.16109898    -12.07882843
  O     13.03693527     12.47592717    -12.97508119
  H     13.16769275      9.56082315    -15.09115787
  H     13.98690424     12.64596695    -13.03347740
          69
 Energy    -248.88977506587281     
  O     13.79254518     11.50422324    -15.63694377
  H     13.02224258     12.06461084    -15.66791552
  H     18.71639867     12.50446332    -14.79144805
  O     15.54077721      5.18740236    -17.40587540
  H     13.47563676     10.58676103    -15.72583973
  H     16.30383872      8.03321350    -14.47876480
  O     17.33512976      6.78281980    -11.75389478
  H     16.48348566      5.17567598    -17.60354888
  H     17.23723204      7.01346310    -15.21932059
  O     19.00565660      9.31330750    -15.27345722
  H     15.25534488      6.09250736    -17.59590817
  H     13.63810865      8.55296639    -16.56174578
  O     18.87397884      8.17279717    -17.95189551
  H     16.70117014      7.43958898    -12.08909811
  H     13.02006996      8.31545656    -15.16208497
  O     12.95098147      5.69187647    -11.46684367
  H     18.20263919      7.05036021    -12.07357045
  H     14.65821428      2.92184434    -11.94932306
  O     14.60271245      4.78457912    -14.85850073
  H     19.42802528      8.82811656    -14.55602340
  H     15.46866376      3.69996080    -10.89204661
  O     15.57790544      8.47558809    -12.89806288
  H     18.13361049      8.89769277    -15.37575409
  H     15.54259178      8.51010374    -18.17400049
  O     18.60275697      5.68385004    -15.04417973
  H     18.18532826      8.71758723    -18.35600395
  H     15.65749796      7.91219862    -16.75696551
  O     13.13177588      3.30519667    -13.05126498
  H     19.11984336      8.61505601    -17.13199656
  H     19.44649192      6.74461585    -13.92123122
  O     18.40192120      5.49160219    -17.80570981
  H     12.89275337      4.82913839    -11.89767162
  H     20.63314459      7.10517680    -12.99900159
  O     18.03348538     11.86269309    -14.96863966
  H     13.76240128      5.67136299    -10.94610033
  H     16.54067116      3.79508526    -12.72754871
  O     16.71355557      7.81640724    -15.32716107
  H     15.41537782      4.69274289    -14.34261176
  H     17.04624825      5.26026903    -12.76280708
  O     13.04706232      8.93748503    -15.90008986
  H     14.86383274      4.84863873    -15.78815298
  H     16.19209350      5.95967663    -10.56608525
  O     15.51654104      2.95670157    -11.50710888
  H     14.72579562      8.09378633    -13.15054035
  H     15.61228068      5.69253293     -9.16359132
  O     15.08960334      7.93824919    -17.54470442
  H     15.55527853      9.43492020    -13.03114500
  H     16.84653825     11.78664900    -16.44396525
  O     19.76033791      7.38883984    -13.26126102
  H     18.58628091      5.46323842    -15.98350635
  H     15.33668207     11.59787920    -16.69123947
  O     16.90763546      4.47482137    -13.31001574
  H     18.05998982      5.04879988    -14.55374493
  H     13.78558438      6.34480627    -14.27144366
  O     15.50341834      5.47376297    -10.08656887
  H     12.46439702      2.74847815    -13.44402607
  H     13.07849332      6.72301240    -12.95374529
  O     16.19639246     11.60054786    -17.13148131
  H     13.57045256      3.77225627    -13.78241021
  H     16.47240765     11.43676553    -13.91287005
  O     13.37626929      7.08439149    -13.80108515
  H     18.57210705      6.44501224    -17.91044580
  H     14.96214139     11.30959258    -14.18573446
  O     15.64674711     11.11749181    -13.53130841
  H     18.89370796      5.04821800    -18.49190500
  H     16.65159783     10.11818437    -19.85752849
  O     16.74123340      9.73035175    -18.99129202
  H     18.47366421     11.00209339    -15.06685061
  H     16.55356771     10.43731840    -18.34690849
          69
 Energy    -248.88973331175256     
  O      0.31972766      1.46905406      2.32801587
  H      0.94819478      1.04025444      1.72791062
  H     -3.34364989      3.16911812      0.27866716
  O     -3.07171968     -0.04948731     -3.33683540
  H     -0.54059359      1.03287982      2.21706709
  H     -1.29710258      1.82010967      5.59298102
  O      0.27614361     -0.48078432      4.53646107
  H     -3.10231874      0.34319710     -4.20571815
  H     -1.41573408      1.34735438      7.06484326
  O     -4.76563324     -0.72386052     -1.13841715
  H     -2.38473163      0.42626553     -2.84036362
  H     -0.10709870      2.71332268      0.83993691
  O     -1.79057772     -2.53073354     -2.56769579
  H      0.47479980      0.16634087      3.85132415
  H     -1.22495666      3.60663954      0.25853468
  O      0.14262027     -1.31178166     -1.00052064
  H     -0.27339707     -0.02105832      5.18326128
  H     -4.02740410      0.74929876     -0.36572165
  O     -3.42961624      3.39855788      3.23487951
  H     -4.37858531     -0.50372876     -1.99444867
  H     -2.61615077      1.33372711     -0.58632075
  O     -3.25735964     -2.86202095      4.03465610
  H     -4.27834458     -1.49885455     -0.81837192
  H     -2.57906373      0.11511868      2.91132896
  O     -1.17725929      1.07388145     -1.65437635
  H     -2.36605314     -2.84866378     -1.86005801
  H     -2.68977910      0.66696738      1.44488316
  O     -5.47848503      1.36038473      3.32518571
  H     -2.26506906     -1.79813744     -2.97783479
  H     -2.53425530     -2.72803022      0.31698808
  O     -3.43348275     -0.13278787      4.51970944
  H     -0.35339290     -1.79179884     -1.67818786
  H     -3.98116979     -3.20682715      0.50777204
  O     -3.10921690      4.08396763      0.51485435
  H     -0.18992571     -1.65426026     -0.15636936
  H      1.42613811     -0.35281468     -0.12118186
  O     -1.50915053      1.05634768      6.16255451
  H     -3.35773838      3.75386123      2.34021604
  H      2.74274079      0.42719910      0.01705362
  O     -0.43207303      3.10978623      0.02359298
  H     -4.14665456      2.75511999      3.21463478
  H     -1.82265949      3.18895787      3.99332064
  O     -3.42582176      1.44079899     -0.06446109
  H     -2.30784921     -3.02571536      4.02451527
  H     -0.40616024      2.62980625      3.68457139
  O     -2.11469726      0.21053203      2.07038529
  H     -3.36408435     -1.93685108      4.29853982
  H     -0.12101329     -2.12986401      4.12750850
  O     -3.35010981     -2.92459406     -0.16607912
  H     -0.78438163      1.82810020     -1.18989858
  H      0.23496945     -3.63159129      4.22771868
  O      1.93056017      0.22207003      0.47434590
  H     -0.67357712      0.28452412     -1.41339012
  H     -0.77507505     -2.61642693      2.07911182
  O     -0.96261516      2.97872522      4.39027788
  H     -6.34382263      1.62060940      3.63146532
  H     -1.48229485     -1.34283077      1.55863342
  O     -0.39568064     -3.02311648      3.85265819
  H     -5.62097547      0.67964568      2.64402034
  H     -5.61277818     -4.03216986      2.32293651
  O     -1.09195805     -2.18553058      1.27778355
  H     -4.18298650      0.43372273      4.29775871
  H     -4.38891860     -3.20349552      2.78022846
  O     -5.03678804     -3.31887871      2.06140848
  H     -2.87407589      0.31878911      5.16516454
  H     -5.62610789     -1.53955325      1.76735593
  O     -5.83475928     -0.63463206      1.50248521
  H     -3.60302557      4.65573917     -0.06747233
  H     -5.68806778     -0.60804678      0.54986738
          69
 Energy    -248.88968168448278     
  O     15.75564568      9.85051278     -8.86726992
  H     16.03334654      9.96802405     -7.96264308
  H     14.14728875      8.06602476    -14.07438853
  O     12.75604546      6.15373623    -11.67163488
  H     16.54546760      9.58498361     -9.37281763
  H     15.59162552      5.30384246    -15.95323499
  O     17.15429801     10.42309570    -12.76522176
  H     13.23793769      6.69876820    -11.03430628
  H     14.67876293      6.16324444    -15.02525024
  O     17.43009220      9.42714376    -15.30299643
  H     13.39314614      5.49257609    -11.96545938
  H     17.47560476      7.77826686    -14.46081383
  O     15.61857079     12.75139314    -12.79244033
  H     17.38024406     10.17107883    -13.67175129
  H     16.76146223      6.39725714    -14.42748832
  O     14.60416638      7.67909940    -10.24039021
  H     16.74414279     11.29741836    -12.79834940
  H     14.65910364      8.56721408    -11.83466970
  O     14.86799187      9.60915927    -16.36556781
  H     18.03118020      9.29928119    -16.04604581
  H     15.54899941      9.50733308    -12.70031726
  O     13.88173775     11.67234642    -14.82758300
  H     16.54118549      9.53286583    -15.67230553
  H     14.98124297      3.49200574    -12.45527513
  O     16.28928001      5.41473154    -17.65454664
  H     15.24120177     12.51122837    -11.92531815
  H     15.07195736      4.69220415    -13.42349522
  O     11.24962640      7.52886790    -13.46455282
  H     15.85261137     13.67428933    -12.74357200
  H     13.14080754      9.88379314    -12.84480820
  O     16.79235420      6.39766869    -11.44893511
  H     14.86903403      8.39206456     -9.64634876
  H     11.72937945      9.37629333    -13.18334281
  O     13.70977989      7.61047237    -14.81269373
  H     15.41283948      7.23129319    -10.53135005
  H     18.58766138      6.26894128    -15.59061425
  O     15.30890736      5.42527808    -15.03854628
  H     14.53393221     10.41914465    -15.95242416
  H     18.06291312      5.73334293    -16.93354068
  O     17.52456877      6.88690945    -14.08977908
  H     14.38340520      8.88138745    -15.95254748
  H     17.67900540      9.49769569    -11.26946351
  O     14.72155706      9.01311997    -12.68855063
  H     13.16139907     11.28961536    -14.31174906
  H     17.63526876      8.05173417    -10.71881792
  O     14.94323701      4.44487697    -12.49245469
  H     14.46485360     12.09662622    -14.18627272
  H     17.11984921      8.35433103    -18.20001426
  O     12.23092685     10.18008796    -13.00574168
  H     16.19640614      6.34764025    -17.92090715
  H     15.66832313      8.65615670    -17.77066422
  O     18.83835612      6.12507109    -16.51238900
  H     16.11518681      4.88923736    -18.43076499
  H     13.65023923     11.88210511    -10.40641875
  O     17.76264457      8.97104648    -10.46056776
  H     11.73120011      7.02235478    -12.78456878
  H     14.97421808     11.27895514     -9.86458320
  O     16.20919234      8.04861762    -18.29285815
  H     10.38250838      7.13983812    -13.53456271
  H     19.74543457      8.86356180    -17.98481889
  O     14.61370534     11.97036261    -10.43011438
  H     16.23890988      5.62804033    -11.62925832
  H     19.01232046      7.73221052    -17.22234703
  O     18.92520255      8.64456032    -17.55182326
  H     17.15635450      6.64079774    -12.31341928
  H     11.08414984     12.16061415    -10.70145010
  O     11.87266270     11.62492908    -10.66553462
  H     12.78373220      7.53005187    -14.55695042
  H     11.89797911     11.12990725    -11.49999983
          69
 Energy    -248.88932444889835     
  O     -3.73945082     -1.37521058      2.57930732
  H     -2.91445814     -1.41591790      2.07231552
  H     -3.70211485      3.37611592     -0.02352906
  O     -2.05225164      2.25686851      4.51831401
  H     -3.49612922     -1.09618933      3.46810328
  H     -7.62117591      4.62890011      2.60904824
  O     -1.32846039     -1.19632719      1.24629810
  H     -1.29679189      2.30639792      3.91970782
  H     -6.96302428      3.81494306      1.46692130
  O     -3.61077340      1.75859580     -2.79343239
  H     -2.74394546      2.82743258      4.16006035
  H      0.97089535      2.48601180      2.67702652
  O     -1.08911124      0.51122606     -2.27885124
  H     -0.80351183     -1.22418752      2.05827602
  H     -0.17700966      1.83083358      1.87620234
  O     -4.90154103      0.65406593      1.07978967
  H     -1.27701342     -0.28407386      0.92900258
  H     -4.92583428      1.94995239      4.26453842
  O     -7.18943387      1.13484895      2.71446509
  H     -2.72419546      1.39309493     -2.70174865
  H     -4.57715860      0.59581525      4.90212822
  O     -7.77347241      0.86820983     -0.94377467
  H     -4.21411934      1.06896161     -2.47899122
  H     -5.20859807      3.75585255      3.10942340
  O     -4.48359770      3.98823973     -1.58001711
  H     -0.40351340      0.38807056     -2.92996360
  H     -3.90516908      3.33277382      2.41651773
  O     -5.23539634     -0.12598041     -1.58593022
  H     -1.40643258     -0.37818712     -2.03637379
  H     -5.12923378     -2.33724384      1.70761796
  O     -4.61600822     -2.86587999     -1.37764863
  H     -4.48778888     -0.03352606      1.61815679
  H     -6.55862318     -2.12732525      1.14153654
  O     -3.36991280      2.87675935      0.73271744
  H     -5.72326918      0.89572997      1.52319030
  H     -2.50413640      0.65538637      4.92117458
  O     -6.98501349      3.94093082      2.43481520
  H     -6.61693247      1.00706384      3.48719434
  H     -2.67879937     -0.45172652      6.00121291
  O      0.17385297      1.97029736      2.77149957
  H     -7.29945131      2.08821381      2.61845535
  H     -0.95648051     -0.68407120      4.24708219
  O     -5.31682979      1.16231460      4.66987148
  H     -6.98120458      0.50705879     -1.36456885
  H      0.07210443      0.17387687      3.49376436
  O     -4.30857000      3.45529903      3.28826524
  H     -8.01463305      0.21983642     -0.27329407
  H     -8.94602513     -1.31368051      1.58652292
  O     -5.76710211     -2.67434820      1.06553254
  H     -4.38167346      4.75069558     -2.14253890
  H     -7.86110281     -0.24780048      1.85672058
  O     -2.77721537     -0.27054828      5.06911692
  H     -4.17340268      3.21739152     -2.09022066
  H     -2.81779392     -2.27934502     -1.41539869
  O     -0.16321980     -0.73962856      3.70424786
  H     -5.11318038      0.11976172     -0.65633437
  H     -1.68094482     -1.85486874     -0.45672153
  O     -8.10199667     -0.99195383      1.27832478
  H     -5.06065835     -1.07212087     -1.64529052
  H     -0.96769617      1.24075959     -0.57587185
  O     -1.93280285     -1.89739714     -1.38957017
  H     -5.03273275     -2.86882394     -0.49723406
  H     -1.83840071      2.01199821      0.46228950
  O     -1.04022818      1.47253404      0.35831855
  H     -4.93591049     -3.63871373     -1.83526048
  H     -7.27659810      2.55838285     -0.48330912
  O     -6.91245075      3.40156753     -0.17689899
  H     -3.92979045      2.08729247      0.81816600
  H     -6.15226695      3.60458805     -0.73245634
          69
 Energy    -248.88910700967790     
  O     15.81351278      9.95940456    -11.74969712
  H     16.35636767      9.60174631    -11.03187360
  H     16.62708204      7.12402909     -5.50814541
  O     19.12752385      5.18392850    -10.12103632
  H     15.17256364     10.55344099    -11.33186130
  H     12.81512233      8.97037522    -12.38918926
  O     13.30797437      6.10017864    -11.05655103
  H     19.88901738      4.69987182    -10.43005482
  H     14.35595370      8.90699769    -12.24375955
  O     16.50647575      4.09537219     -9.88319104
  H     19.00199356      5.92911489    -10.73538497
  H     18.37084861      7.74256460    -12.47032480
  O     17.33683722      8.80738216    -13.74074329
  H     13.87717831      5.45162904    -11.48909782
  H     18.24261442      7.85982233    -10.94768555
  O     18.39310674      8.99969436     -7.24130088
  H     13.31561760      6.90188598    -11.60054981
  H     15.06488512      3.76134375    -12.97753532
  O     15.28982274      4.95178998     -7.58744801
  H     17.41058346      4.42450232     -9.96281971
  H     15.35646216      5.27822842    -12.97738498
  O     17.23016924      8.72138891     -9.74291144
  H     16.10069290      4.22174046    -10.74850605
  H     13.29389809      7.46874294     -5.95763143
  O     15.02243830      7.23902620     -9.14566853
  H     17.67632505      9.43784271    -14.37087042
  H     13.07794024      8.47453853     -4.80198132
  O     13.60958535      9.42996685     -8.17345412
  H     16.80634409      9.31353396    -13.10177485
  H     10.71289687      5.24207405     -9.38244443
  O     11.15681219      8.76244986     -9.37157027
  H     17.66623457      8.73884265     -6.64632168
  H     12.01961488      5.92034250     -9.85371590
  O     16.43904438      8.06269084     -5.63214122
  H     18.88203069      9.68537603     -6.79496650
  H     12.98233456     11.00323425    -10.84005686
  O     13.58351588      8.40586171    -12.54126402
  H     15.69396777      4.54387060     -8.36916522
  H     13.77339132     10.73683176     -9.54618594
  O     18.68579125      7.35645592    -11.64779707
  H     15.96085867      4.98844678     -6.89500212
  H     17.98411892      5.58599340     -6.28691212
  O     15.18567689      4.51197413    -12.40128191
  H     16.48225859      8.14203139     -9.52992811
  H     17.68454977      4.78013213     -4.99777881
  O     13.60330023      8.31280837     -5.58085429
  H     17.66067236      8.94358127     -8.90933228
  H     13.64743366      5.49212916     -6.97865903
  O     11.33675158      5.92914975     -9.16139863
  H     15.17331867      6.52612399     -8.51108177
  H     12.27057219      5.95500471     -7.49632074
  O     13.80603685     11.21564307    -10.38592411
  H     14.47121428      6.86343708     -9.84232473
  H     10.69006199     10.48873366    -11.99758744
  O     17.28125951      5.33511414     -5.65910370
  H     14.12556578      8.69532630     -8.53726620
  H     11.27915198      9.59315445    -10.87972106
  O     12.84873525      5.97695685     -6.72533924
  H     13.57099054      9.26315138     -7.22473252
  H     18.98563564      7.17080166     -7.49214804
  O     11.49237279     10.06586228    -11.70545905
  H     11.94610603      9.02621386     -8.87810785
  H     19.12238692      5.89659088     -8.37237989
  O     19.08357843      6.21157851     -7.46120385
  H     11.08222013      7.80790660     -9.26181988
  H     16.14521024      7.34712053    -13.98202193
  O     15.39448180      6.74350531    -13.93077086
  H     15.48188383      8.16787111     -5.58368933
  H     14.65267949      7.29064997    -13.63987380
          69
 Energy    -248.88909528410937     
  O     13.22571608     11.33011559    -15.14122490
  H     14.02330079     11.87115198    -15.16303013
  H     16.10376699     10.59114191    -17.81885949
  O     16.56482824      6.40327801    -13.75893148
  H     13.45826717     10.49177302    -15.56266631
  H     17.24785081      9.12027391    -15.49325429
  O     18.88102706      9.66681949    -12.24385608
  H     17.28749353      6.44181822    -13.11714441
  H     16.50776765      9.58738496    -14.21817317
  O     18.69089552      9.72563949    -16.49061633
  H     16.53165582      7.27976579    -14.17669537
  H     12.40574015     10.92728117    -13.67947589
  O     15.61681251      9.83407339     -9.13894442
  H     18.83386702      9.64557466    -11.27576193
  H     11.18752681     11.01759710    -12.72698021
  O     14.47311535      7.16370040    -12.05405547
  H     18.12507519     10.19000981    -12.54228189
  H     18.85977754      5.78093756     -9.09080414
  O     16.55684615     10.96740761    -13.07492237
  H     19.41024278      9.56170496    -15.87157535
  H     18.51070227      6.47801545    -10.42635440
  O     17.86274682      7.59487132    -17.94058620
  H     18.58866771      8.95292156    -17.07044706
  H     12.15518693      8.72807546    -13.51423204
  O     15.49689788      6.97428739     -9.51037297
  H     15.16504016      9.95029471     -9.99088148
  H     13.04939287      7.50868919    -13.23496244
  O     17.84010674      5.47045567    -16.03207852
  H     15.16341911     10.38973771     -8.50974582
  H     19.99870162      9.41518212    -13.62808927
  O     20.13691294      6.34497281    -14.45339435
  H     14.75266414      6.96838812    -11.14727478
  H     21.39182266      9.57107382    -14.27587908
  O     16.58527615     11.28365681    -17.35362694
  H     15.13673385      6.78457739    -12.64385278
  H     18.76217288      7.80926113    -12.16806869
  O     16.54154875      8.88400337    -14.87928124
  H     15.78508124     10.70971478    -12.55076749
  H     19.35298462      6.54765306    -12.85742899
  O     12.02978493     10.58823278    -12.84602617
  H     16.28398097     11.63442304    -13.71826983
  H     17.48965871      9.58761024     -9.37870003
  O     18.29992958      6.44931026     -9.47697777
  H     16.97190836      7.90124242    -18.15240628
  H     18.44481109      8.38279646     -9.37998288
  O     12.47352022      7.90531765    -13.90280858
  H     17.77517511      6.82278431    -17.36789647
  H     14.74244759      8.77980585    -17.62967595
  O     20.52380213      9.20012889    -14.41716336
  H     16.41621394      6.68772318     -9.44216039
  H     14.74057324      8.80914933    -19.17404830
  O     18.78467021      6.84293719    -12.13066651
  H     15.49337828      7.89581900     -9.22489893
  H     14.47811400      8.95812851    -11.81510182
  O     18.39881979      9.32695631     -9.57372522
  H     17.71552154      4.53871653    -16.19838246
  H     13.57949505     10.21716960    -11.95115294
  O     15.31036730      8.88260647    -18.41232173
  H     17.30566132      5.68582844    -15.25088504
  H     16.04095683     12.18691417    -15.98612453
  O     14.43671110      9.90886943    -11.63067268
  H     19.49098483      6.07599752    -15.11680701
  H     15.88713740     13.57868738    -15.32968378
  O     15.74331786     12.64795018    -15.18040043
  H     20.32765344      7.27905287    -14.60716451
  H     14.89829096      8.79256394    -15.60105785
  O     14.02275555      8.75610684    -16.01463580
  H     17.43345515     10.88398320    -17.10960964
  H     13.42471206      8.34874463    -15.37176609
          69
 Energy    -248.88900368114543     
  O     18.05618293     10.94731746    -14.41429252
  H     18.17980728     10.81070426    -13.46547548
  H     16.54269464      7.12162398     -9.95951849
  O     15.46163580      6.53880068    -11.39048471
  H     17.30358449     11.54415008    -14.49941482
  H     14.09512731     12.54602698    -11.56133147
  O     12.26190409      8.58625737    -13.96110574
  H     14.50690003      6.68796122    -11.39904424
  H     15.58928445     12.61041096    -11.14128371
  O     12.37292953     11.98116072    -11.01484816
  H     15.69021750      6.12715935    -12.23437378
  H     14.89532324      9.49998745    -11.34360309
  O     19.40309955      7.94341642    -11.15138747
  H     13.02542458      9.15756978    -14.13436617
  H     15.69847122      8.29372773    -11.85520286
  O     13.00251701      6.55764400    -15.66449905
  H     12.33826069      7.84985161    -14.58415306
  H     18.22524960      9.46101027    -15.29387546
  O     16.03471821      5.60631149    -13.94049235
  H     11.81919251     11.56130822    -11.69574122
  H     18.96240418      8.70235353    -16.42228628
  O     14.59208467      9.96419346    -14.40704507
  H     11.79857403     12.54643440    -10.50383011
  H     12.19106649      4.17241359    -11.07746071
  O     15.67931901      9.88592103     -8.57073928
  H     19.10992359      7.50773102    -11.97214349
  H     12.35490609      5.55956153    -11.71565949
  O     13.64962250      4.12780193    -14.25049990
  H     20.27595223      7.61020390    -10.96241931
  H     17.78508080      6.26967051    -13.59321595
  O     13.48844493      9.55107279    -10.11300167
  H     13.15183125      5.69640497    -15.25700891
  H     18.54349113      7.43660700    -14.25236649
  O     17.12722678      7.63831104     -9.38857749
  H     13.87841883      6.89852723    -15.88776199
  H      9.99206838     10.76905729    -13.29560339
  O     14.97726681     12.79118497    -11.86476542
  H     15.86692927      6.34204621    -14.54806433
  H     11.26439117      9.91161455    -13.27948564
  O     15.57628322      9.24424055    -11.97919320
  H     15.31360504      4.97836866    -14.06940886
  H     12.54954994      7.70360419    -12.37135385
  O     18.31072040      8.59633926    -15.73448514
  H     14.98372515      9.72166800    -13.55226447
  H     12.89547505      8.02363816    -10.89791228
  O     12.30890654      4.61080565    -11.91672805
  H     14.86710822     10.87014436    -14.58262090
  H     17.58530198     12.71406065     -9.51186120
  O     18.54036690      6.85905045    -13.47899075
  H     16.14716364     10.65808383     -8.90611468
  H     17.47007078     11.54246141    -10.51379700
  O     10.84785454     10.69249065    -12.88120471
  H     16.22980446      9.11391686     -8.77459707
  H     15.23507822      8.53523448    -15.31794763
  O     12.73462761      7.29533248    -11.51435579
  H     13.15862985      4.25205404    -13.42019884
  H     16.54538963      7.96383242    -15.88029779
  O     16.96053425     12.11822390     -9.91798173
  H     13.43080659      3.25675341    -14.57160235
  H     15.50988811     13.36801414    -14.90802272
  O     15.62316817      7.73800054    -15.70697924
  H     14.17485770      9.67205700     -9.43683182
  H     15.44148683     12.67679852    -13.52534182
  O     15.68169825     12.54416938    -14.46073880
  H     13.07668585     10.40409954    -10.28921366
  H     18.65491633      9.60309291    -11.44557285
  O     18.07437061     10.34134092    -11.66854502
  H     17.95438315      7.71270708     -9.87725701
  H     17.18717821      9.96251663    -11.78327710
          69
 Energy    -248.88874067795453     
  O     16.12917852      8.07418516    -12.30123231
  H     16.61911116      8.77468747    -11.85068019
  H     18.55471458     10.54238651    -12.56747457
  O     15.87274360     12.50404119    -11.98590846
  H     15.72646748      8.48200668    -13.08503307
  H     16.90425435      9.84757899    -16.81485114
  O     15.94310257     11.31592223    -16.11658088
  H     15.02956146     12.20598523    -12.35730734
  H     16.82300568      8.29224126    -16.81689565
  O     13.37009618      6.57201880    -15.45781294
  H     16.41050314     12.78730058    -12.73446093
  H     15.45000890      9.93571626    -14.98876349
  O     12.66344948     11.23263089     -8.80183110
  H     15.04124507     11.65582098    -16.16951002
  H     14.15387201      9.08806256    -14.85874983
  O     13.68254267      7.71554263    -11.08203145
  H     16.44892010     11.92006544    -15.55612083
  H     11.21119561      9.27740976    -12.73938907
  O     13.61138486     11.42829478    -13.14381673
  H     14.28277173      6.55033992    -15.77069444
  H     11.27614192      7.85441839    -13.31752842
  O     17.62602363      6.59700958    -14.15133277
  H     12.98497289      7.39123953    -15.79707648
  H     17.11774147      9.93668069     -7.62711521
  O     14.28380773      8.86093356     -8.57214585
  H     13.48779574     11.72455147     -8.96701015
  H     15.85278419      9.61317399     -8.45848301
  O     19.39997051      8.63296374    -15.09192881
  H     12.17791202     11.72067286     -8.14255837
  H     12.70730688      6.27863524    -13.86902087
  O     16.05293795      6.56174755    -16.36741498
  H     13.18871004      7.11321346    -11.65191747
  H     11.85227927      5.36146781    -12.96582363
  O     18.93259644     10.84340121    -13.40414428
  H     14.57266735      7.78033767    -11.45841429
  H     18.05185046     12.16648556    -14.02453542
  O     17.42591873      9.04082878    -16.90889439
  H     14.11311578     10.68023293    -13.50261023
  H     18.01331434     13.63127250    -14.52747324
  O     14.95458306      9.36058078    -14.39136469
  H     13.01842465     11.05618309    -12.47739236
  H     16.83109792     11.02834346    -11.41251315
  O     11.00559746      8.75748357    -13.52654599
  H     17.15120466      6.97815818    -13.40026041
  H     17.26694164     10.18960851    -10.18507331
  O     16.66759520     10.14717191     -8.44043948
  H     18.32868298      7.22317962    -14.36586280
  H     15.36948335     12.59513027    -10.16039263
  O     12.26357308      6.22100511    -13.00386455
  H     14.06304902      8.33236289     -9.35040229
  H     15.70521247     11.75122558     -8.91204626
  O     17.45936209     12.88233448    -14.32381210
  H     13.63631312      9.57582693     -8.54117284
  H     12.18301643     10.48836972    -10.42526043
  O     17.36979344     10.27122665    -11.14126100
  H     18.73998090      8.80912645    -15.78675434
  H     12.69381958      9.24551760    -11.20136575
  O     15.07695873     12.39550261     -9.26212381
  H     20.22754917      8.46402587    -15.53501943
  H     12.62374733     12.77822694    -15.98633101
  O     12.14964862     10.04394478    -11.28080479
  H     16.59445246      6.50532746    -15.55968211
  H     13.23912050     11.95050617    -14.83436687
  O     13.19101726     12.03373082    -15.80209210
  H     16.32065763      5.83537336    -16.92578785
  H     11.88893543      9.12505776    -15.03075872
  O     12.50565100      9.19935957    -15.77851890
  H     19.13460914     10.05781589    -13.92692856
  H     12.60302301     10.13534837    -15.97656032
          69
 Energy    -248.88836759873635     
  O     16.65862448     11.21644393    -15.40267134
  H     16.85011979     12.06625100    -15.79073447
  H     16.75088341      5.54216140    -10.42595094
  O     14.94647502      5.58519795    -13.60836285
  H     16.96406252     11.25788846    -14.47931847
  H     20.19847527      9.64924369    -11.39622433
  O     15.05944590      8.25442248     -9.78707403
  H     15.33779920      6.47459976    -13.57118883
  H     19.10341786      8.66704556    -11.86955475
  O     15.28686073      6.61631783    -17.18493828
  H     15.45122867      5.10848397    -14.27748948
  H     15.78360476      8.76693172    -13.05040162
  O     10.96130431      9.01909816    -11.11384043
  H     15.02123832      7.38320099    -10.20413985
  H     16.29487566      8.27373914    -14.45788522
  O     12.53554980      6.85234723    -14.17530456
  H     15.96952348      8.37778462     -9.47951409
  H     13.47429845     10.21692787    -14.76875039
  O     15.06230665     10.01992797    -11.92458907
  H     14.39521389      6.97402892    -17.11967143
  H     14.77739998     10.59491646    -15.53160423
  O     18.74055301      6.62313289    -15.32218552
  H     15.87494763      7.35384649    -16.96008590
  H     12.35961682      6.56282354     -9.45385302
  O     10.71547436      6.35121994    -12.17549803
  H     11.42780735      8.89108219    -10.27843362
  H     11.81718635      5.85939400    -10.70899246
  O     18.52688172      7.10728816    -12.53544720
  H     10.72639889      8.13343705    -11.41835604
  H     13.24404377      8.81247264    -16.41228922
  O     16.55075826      4.71498623    -15.74918371
  H     12.56132815      7.14735224    -15.09461852
  H     12.19376598      8.22835374    -17.38498781
  O     17.70976241      5.61572212    -10.28109018
  H     13.33359284      6.32973657    -14.01557222
  H     17.86278839      7.39603242     -9.49883448
  O     19.25371921      9.51532056    -11.41962932
  H     15.04541490      9.48230243    -11.12170957
  H     18.26618619      8.83345733     -9.88633105
  O     16.12164291      8.01092575    -13.54457683
  H     14.18519229      9.95478091    -12.32717513
  H     14.12855096      5.53463679    -10.48896163
  O     13.89130076     10.23506571    -15.64089791
  H     18.10854166      5.90429487    -15.44849608
  H     14.97359114      5.50699278    -11.79817291
  O     12.43991058      5.75666665     -9.97837411
  H     18.86622919      6.69733017    -14.36763962
  H     12.47691603      8.69337864     -7.89309343
  O     12.83358154      7.98421995    -16.72143264
  H      9.95347782      5.88471171    -12.50983527
  H     13.43671469      8.41781333     -9.07204668
  O     17.73688892      8.32362770     -9.26136891
  H     11.31101074      6.49062379    -12.93062894
  H     12.70120936      8.62346802    -13.51576497
  O     15.02689446      5.62739807    -10.84026731
  H     17.67263662      7.42119181    -12.87284921
  H     12.02638559      9.53458062    -12.47321192
  O     12.50738610      8.37155837     -8.79046557
  H     18.33340190      6.49724187    -11.81341131
  H     16.54845586     10.94870333    -12.39052224
  O     12.68095594      9.53143974    -13.18679147
  H     16.67720753      3.91689599    -16.25533547
  H     18.07326593     10.73124477    -12.33095409
  O     17.38547792     11.21902922    -12.79686682
  H     16.06962280      5.33779420    -16.32594358
  H     17.76034980      8.05682346    -15.93898015
  O     16.95834043      8.55045515    -16.16892180
  H     17.98533851      4.80518754     -9.86057185
  H     17.07954412      9.49420567    -16.01378849
          69
 Energy    -248.88808996457152     
  O     12.85886766      1.26997607     -9.20968334
  H     12.01594578      1.36657357     -9.66695141
  H     11.13673704      8.38091635    -12.82055227
  O     10.65391105      2.03522880    -10.90665269
  H     12.80742738      1.79329984     -8.39623061
  H     10.43980713      4.72115785    -13.08502779
  O     10.02186411      5.93883118    -15.99845358
  H     10.60224427      2.87328299    -10.42309527
  H     11.86041159      5.15430595    -12.67020844
  O     10.45690778      4.57479852     -9.83775795
  H      9.83906158      1.99267729    -11.42024486
  H     12.61928416      3.16379022     -6.13915560
  O     12.85263188      1.99417046    -12.66390933
  H     10.92182570      6.17189260    -15.70767976
  H     12.88789891      3.86609280     -7.48020367
  O     13.52199518      4.66740014    -13.23450367
  H      9.96390946      6.17180325    -16.92099938
  H     12.43178711      1.60069383    -15.84417724
  O     13.98310369      7.66328059    -11.13122025
  H     10.60686229      4.85889771    -10.75403642
  H     12.23132275      1.75172078    -14.32534400
  O      8.22115418      6.79493284    -13.89532173
  H      9.63739508      4.99318960     -9.54871556
  H     12.71224143      6.27236354     -8.48774150
  O      7.43036640      5.10088366    -11.82161432
  H     13.63106834      1.90991938    -12.10014141
  H     11.92548133      5.03117508     -8.98254269
  O     12.90526656      8.73711028    -13.37864452
  H     12.08252153      2.00165271    -12.07707248
  H     14.22831725      1.74233604    -10.12986164
  O      8.33812037      2.42572304    -12.55439676
  H     13.97376049      4.85492176    -12.40030551
  H     15.69026440      1.51975725    -10.58974300
  O     10.34132396      7.96438646    -12.46982567
  H     13.28832049      3.73043137    -13.19577673
  H      9.80267896      4.35759883    -15.10828927
  O     10.92727355      5.24441151    -12.43769541
  H     13.49900669      7.87011821    -10.32160763
  H     10.49370468      2.99067663    -14.80915007
  O     12.86884925      2.99931909     -7.04474185
  H     14.36023807      6.78607361    -10.99975354
  H     14.82610361      3.96057186    -10.65614290
  O     11.78220618      1.82596523    -15.18318136
  H      8.81442192      7.39178383    -13.41887208
  H     13.97229071      5.00427373     -9.90691742
  O     12.75504194      5.31167927     -8.56401278
  H      8.71133717      6.54438999    -14.68604977
  H      7.33556918      5.96549365     -8.81000422
  O     14.91974986      2.06015163    -10.74075454
  H      7.66805084      4.19590111    -12.04678785
  H      7.79850399      5.71470225    -10.26468975
  O      9.82175254      3.61330743    -14.49378217
  H      7.63041267      5.65418955    -12.59103475
  H     12.59030591      8.82420587     -8.14516785
  O     14.57155342      4.89172850    -10.65877269
  H     13.34131680      9.56700736    -13.55196420
  H     11.55819861      8.12663472     -9.06395106
  O      8.09729246      6.00149744     -9.38133453
  H     13.33758711      8.35349518    -12.59439117
  H     12.98627242      5.83138578    -14.61798359
  O     12.47844074      8.09112816     -8.74388773
  H      7.70207022      1.80754435    -12.90673978
  H     12.67988448      7.33518007    -14.63166971
  O     12.53741965      6.51908466    -15.12713999
  H      8.80649337      2.80721994    -13.31753520
  H     10.04231861      8.18801223    -10.68378647
  O      9.97160676      8.13533656     -9.71987425
  H     10.52488785      7.01160688    -12.46109957
  H      9.28308229      7.48533520     -9.53962234
          69
 Energy    -248.88800813103276     
  O     19.00543612      8.61308230    -16.00968996
  H     19.12873535      7.67093235    -15.82606390
  H     18.61790177      5.23686891    -15.52688032
  O     21.16197416      5.53943856    -13.28244320
  H     18.07024354      8.71788801    -16.21856493
  H     18.36966185      3.34997278    -12.63870859
  O     17.09259250      9.54096058    -10.17714790
  H     21.25639344      6.41591374    -12.88118181
  H     16.81989038      3.28739133    -12.58034203
  O     15.21583248     11.16709396    -11.39874317
  H     20.58559146      5.65573368    -14.04881520
  H     15.60570812      9.71295141    -15.04515500
  O     16.16535359      8.65730173    -16.52571781
  H     16.49831858      8.77736540    -10.14754358
  H     16.31055155      9.86679869    -13.69780209
  O     13.39294194      8.44432582    -13.20581635
  H     16.53335443     10.27629920    -10.47028045
  H     17.73635323      7.70156602    -12.92377104
  O     18.58585651      5.84737106    -10.41293281
  H     14.40685786     10.72992111    -11.10235748
  H     17.98267664      6.42416825    -12.05240258
  O     15.07169345      7.58684808    -10.32521263
  H     15.23800242     11.03717397    -12.35352396
  H     18.73242120      8.87185981     -9.81075247
  O     19.97296179      3.78911625    -11.65985215
  H     15.82291787      8.77732000    -17.40821429
  H     20.01045678      8.74301588     -8.95642976
  O     16.08251074      5.11175683     -9.47388113
  H     15.93547245      7.74869586    -16.26331089
  H     17.40076619      3.60154985    -14.84119948
  O     15.24440123      3.64173311    -11.57651820
  H     13.79980435      7.57018653    -13.18102840
  H     17.33513285      3.11343745    -16.30791935
  O     19.09814649      5.97256516    -15.13146780
  H     14.06174502      9.03297281    -13.58577978
  H     20.94091220      8.76223435    -12.80995436
  O     17.57965885      3.18134737    -13.16520596
  H     19.09281155      6.61425549    -10.12249836
  H     20.66359422      8.27872597    -11.36926213
  O     15.47341635     10.05028556    -14.15059341
  H     19.18700940      5.15659993    -10.72337318
  H     20.72882930     10.75302252    -14.42479842
  O     17.63307788      6.73975606    -12.89528022
  H     14.32286535      8.19708287    -10.30457620
  H     19.85505067      9.53610033    -14.81930182
  O     19.58816666      8.41728335     -9.74824379
  H     15.04220351      7.15634058    -11.18827474
  H     15.93831476      6.33464106    -12.96070427
  O     17.31069322      3.89689962    -15.76561767
  H     20.58155225      3.11175243    -11.37887789
  H     14.93785791      5.23289437    -12.50939694
  O     21.16449517      8.07800340    -12.16702110
  H     20.46333779      4.37811015    -12.26431723
  H     16.10212271      5.35472112    -15.82032723
  O     20.24999287     10.01205185    -14.06473737
  H     17.00666378      5.30487486     -9.68954720
  H     15.16669319      6.06418140    -14.82980486
  O     14.99286180      6.12175541    -12.88128915
  H     15.63114579      5.96376496     -9.53319012
  H     12.09584369      9.60817547    -10.51597409
  O     15.52433265      6.12210736    -15.72228663
  H     15.52825182      4.09249000    -10.76059634
  H     13.02518731      9.10557813    -11.65063633
  O     13.00913026      9.45320825    -10.73894985
  H     14.63718818      2.95433256    -11.31630846
  H     18.68119364      9.79202537    -13.15255263
  O     17.82120720      9.46643780    -12.86004809
  H     18.58518245      6.22359995    -14.34681231
  H     17.71621746      9.60662934    -11.91115724
          69
 Energy    -248.88745764511697     
  O     -8.45648131     -2.69355766      6.09182433
  H     -7.86706151     -2.02799390      6.46778896
  H     -4.05077466      0.61968046      2.46791653
  O     -8.73742219     -2.63390611      2.69587386
  H     -9.20271586     -2.22207144      5.70398262
  H     -7.61564961      0.22777458      4.12317629
  O     -7.39918393     -4.46169662      4.31913450
  H     -8.31679023     -3.37956189      3.14244768
  H     -6.43997613     -0.71670145      3.81777864
  O     -4.67732342      0.27362424      0.79360784
  H     -8.22862341     -1.84173713      2.93567080
  H     -6.06138139     -0.81333967      7.81339522
  O     -7.68933809      1.39536749      5.59268408
  H     -7.51171002     -5.35705809      4.62632214
  H     -5.89076953     -0.93276287      6.27933378
  O     -4.90416814      4.90518225      1.04553078
  H     -7.73595888     -3.87763537      5.02311358
  H     -0.88195175      3.00394562      3.02301085
  O     -9.64227692      0.26580107     -0.00108864
  H     -4.78348839     -0.66983761      0.62630246
  H     -2.34069529      3.51422187      3.12721900
  O     -4.90079466     -1.13603610      4.84183019
  H     -5.57571401      0.63769591      0.81389376
  H     -8.70611207      3.19436447      3.26750843
  O     -3.36309155      2.75468452      0.39092387
  H     -7.39126623      0.73227692      6.22574216
  H     -8.93872470      2.33761042      4.52638941
  O    -10.62444362     -1.64346945      4.43003987
  H     -6.90822234      1.91386933      5.34392308
  H    -10.23664385      1.36390181      2.92310839
  O     -5.42855999     -2.43786149      0.42895912
  H     -4.83307173      5.58186638      0.37761834
  H    -10.68352555     -0.08631538      3.21319299
  O     -3.74762050      0.86343848      3.35449634
  H     -4.38060644      4.14568059      0.73322725
  H     -5.22586225     -3.03932255      2.24231102
  O     -7.27958786     -0.39643806      3.46638687
  H    -10.26918465      0.64104968     -0.61288770
  H     -5.83228619     -3.76144702      3.48218383
  O     -6.54203927     -0.79315415      6.98987402
  H    -10.03967259      0.33865638      0.88708476
  H     -8.62891515     -1.35925737     -0.14168240
  O     -1.78165828      2.78891447      2.79426479
  H     -4.83263507     -1.94356251      4.30878436
  H     -8.42363772     -2.45187920      0.90935133
  O     -9.38281472      2.70533557      3.75085053
  H     -4.36243139     -0.45490266      4.41619080
  H     -4.04011493      4.90902040      2.77386039
  O    -10.58555685      0.55980465      2.50813147
  H     -2.69585696      2.73172282      1.08818178
  H     -4.25270116      4.14127681      4.09003352
  O     -5.07339028     -3.25284802      3.17071221
  H     -3.75713974      1.87305442      0.37100438
  H     -6.09553198      3.07691959      3.72568805
  O     -8.10727437     -2.14775198      0.04641322
  H    -10.08607113     -2.07448439      3.74433178
  H     -4.95773502      2.07872411      4.08927040
  O     -3.59782060      4.64702667      3.59145602
  H    -11.45768297     -2.10979482      4.45604315
  H     -8.04097076      0.90895312      0.63152043
  O     -5.54883061      2.74988010      4.45686244
  H     -5.08985637     -3.01078095     -0.25502549
  H     -7.29947841      0.58253471      1.95375156
  O     -7.25500152      1.12127753      1.14867616
  H     -6.37607448     -2.31563846      0.24180228
  H     -7.15519918      2.78170829      1.80832180
  O     -7.07447515      3.61382535      2.29932456
  H     -2.96896774      1.42124936      3.23971117
  H     -6.43456859      4.15670821      1.82332626
          69
 Ord_Energy   -248.887360    
 O    2.06257558       2.59046173      -4.02246666    
 H    2.37423468       1.73987722      -3.68409538    
 H    2.59474897       3.24912024      -3.56068969    
 O    5.34919691      -7.57216988E-03  -1.35034180    
 H    4.88745308     -0.550410211     -0.685570896    
 H    6.16615438     -0.455383629      -1.55224121    
 O   -3.50220823       1.26634181     -0.526281774    
 H   -2.98595572       1.40784717      0.283775806    
 H   -4.37361860      0.990078807     -0.253096193    
 O  -0.501592577       2.69056678      -3.02556252    
 H  -0.695640504       1.79721856      -2.71365786    
 H   0.321393877       2.64780593      -3.53599024    
 O   0.992689312     -0.548443317       3.36589813    
 H   0.651763976     -0.578961492       2.46413255    
 H   0.433822334       8.88790265E-02   3.82739854    
 O    2.83539414      0.324029624      -2.55576992    
 H    3.76326632      0.158133045      -2.35356212    
 H    2.47026229      0.733982384      -1.75706458    
 O    3.68402362     -0.428078234       3.08642435    
 H    2.72915292     -0.492394328       3.26555943    
 H    4.13444185     -0.707532406       3.87899852    
 O    3.94284773      -1.45889103      0.454517573    
 H    3.87825608      -1.17575788       1.37488437    
 H    3.11324644      -1.89776015      0.235508367    
 O   -2.75107718       5.45656204      0.269300610    
 H   -2.82593298       4.91724777     -0.536906779    
 H   -3.06619453       6.32517195       3.47497314E-02
 O  -0.743984103       1.50955915       4.21840191    
 H   -1.36165190       1.77661240       4.89469337    
 H   -1.21964216       1.55539346       3.37381887    
 O    9.69106108E-02 -0.374622226      0.644220054    
 H   0.457529783      -1.23781514      0.400948107    
 H   0.744165719      0.296413362      0.362981468    
 O    3.48529720       4.34143686      -2.20105433    
 H    4.02539444       3.76938438      -1.62742960    
 H    4.01377010       5.11172390      -2.39215660    
 O   0.843211114      -1.60612810      -2.67049932    
 H    3.45594510E-02  -1.08146024      -2.66436195    
 H    1.57131553     -0.975918114      -2.77924180    
 O    1.80392587       1.48152030     -0.230511025    
 H    1.47719216       2.34068775     -0.526294649    
 H    2.46250463       1.65075850      0.456915289    
 O    1.40419745      -2.65076160     -0.251235962    
 H    1.22905374      -2.37639356      -1.17035830    
 H    1.25079846      -3.59068346     -0.206821084    
 O    1.32728195       3.22464705       3.06497359    
 H   0.764918149       2.67249179       3.61731291    
 H   0.717453837       3.66724253       2.45830536    
 O    3.52500176       2.11469412       1.83778560    
 H    2.81824541       2.57673669       2.31606412    
 H    3.70022345       1.29465961       2.31396937    
 O   -2.87349987       3.73824668      -1.86821973    
 H   -2.10342836       3.49620032      -2.39837193    
 H   -3.19505978       2.91468096      -1.48266721    
 O   0.957240045       3.98150301      -1.06419909    
 H   0.403919250       3.63537931      -1.78013337    
 H    1.80499542       4.24480867      -1.44404733    
 O   -1.23884547      0.198264793      -1.86313903    
 H  -0.768619180      -3.15506607E-02  -1.05212390    
 H   -2.12143636      0.461604863      -1.57370436    
 O  -0.583227575       4.06410646       1.18964756    
 H   -1.13113401E-02   4.11684370      0.409888059    
 H   -1.34520686       4.63116455       1.00462198    
 O   -1.70857239       1.57546949       1.58539581    
 H   -1.10437500      0.883606851       1.28276718    
 H   -1.30050302       2.43817496       1.40448761    
 O    4.91389084       2.71750832     -0.546804428    
 H    5.14456987       1.82688487     -0.837479234    
 H    4.56485891       2.62308431      0.349511564    
          69
 Energy    -248.88691277823250     
  O     11.48384283     10.64714735    -15.23078968
  H     11.84186548     11.48601906    -14.92077084
  H     18.80092558      9.10671811    -12.96589977
  O     16.07544716      7.16021705    -13.53402916
  H     12.13501575     10.29511582    -15.85492709
  H     15.96029152     12.46629861    -15.14291645
  O     16.22934128     11.07253890    -11.43123445
  H     16.67396608      7.57004174    -12.89505660
  H     15.23565929     12.39435934    -16.50208147
  O     17.11803260     11.27510653    -14.19293205
  H     15.31373719      6.83714274    -13.03390758
  H     15.26590040      8.68665080    -14.12729093
  O     13.80581808      6.83099217    -16.99876863
  H     16.69082874     11.39408777    -12.21324025
  H     14.47379208      9.55186188    -15.16745208
  O     13.35038488      8.42061446     -8.97592859
  H     15.28821815     11.11343173    -11.66334108
  H     10.88856304      9.32936192    -14.29070161
  O     13.79896855      6.53989306    -12.08477534
  H     16.38027895     10.64523688    -14.24669720
  H      9.67156287      8.46864460    -13.87492551
  O     13.67854569     11.05518616    -12.43029401
  H     17.92752178     10.76724035    -14.02989929
  H     16.50959229      8.34446384     -8.98592078
  O     17.36855695      9.87619382    -16.88829921
  H     13.49630637      6.14889662    -17.58853991
  H     16.15021329      6.88364316     -9.31492431
  O     14.45402957      5.97925248     -9.39524359
  H     13.35320065      6.69073417    -16.14698419
  H     12.96123318      6.37769917    -13.78536649
  O     16.55085499      7.30676586    -16.27967420
  H     12.85678299      8.62443081     -9.78246810
  H     11.82753312      7.21334909    -14.40244076
  O     19.19847492      9.56891636    -13.72100289
  H     14.05303348      9.07816122     -8.90846936
  H     17.11082817      9.39580937    -11.60139617
  O     15.20678410     12.81632615    -15.63516707
  H     13.31386329      7.35768065    -11.90272309
  H     17.49407534      8.09363305    -10.85941840
  O     14.92567816      9.57017917    -14.31522507
  H     14.03920659      6.17605660    -11.22436773
  H     15.92906238     10.52796435     -9.70674827
  O     10.61666336      8.54722687    -13.77685450
  H     14.06565042     10.47789705    -13.11164344
  H     15.91197532     10.74216427     -8.18118591
  O     16.88541983      7.50814451     -9.28815779
  H     13.31721576     11.81364872    -12.90332442
  H     15.59870768     11.54360391    -18.93621410
  O     12.52717099      6.58590478    -14.62167088
  H     17.52957192     10.30230882    -16.04317910
  H     16.14904174     10.75345368    -17.72194499
  O     17.60516136      8.57159259    -11.69402608
  H     17.13637118      8.95376190    -16.69567200
  H     12.73006965      9.68260070    -11.77180140
  O     15.68398514     10.11513268     -8.86429894
  H     14.16433172      5.32340237     -8.76675323
  H     11.60126694      8.72210192    -12.20511099
  O     15.38149107     11.25521940    -18.05435329
  H     14.00724357      6.81339742     -9.15988598
  H     13.68877721     12.96610388    -14.78211228
  O     12.28672561      8.85429531    -11.53842388
  H     15.68023683      7.07052788    -16.62055872
  H     12.56084635     13.89556988    -14.27774811
  O     12.85612333     12.98918114    -14.27706611
  H     16.50924830      7.11850221    -15.33202942
  H     14.11838219     10.12654807    -17.32898283
  O     13.54397816      9.59788590    -16.76049678
  H     19.61303699      8.89787600    -14.25902365
  H     13.62878402      8.66753644    -17.00637580
          69
 Energy    -248.88672619226060     
  O     14.74880706      8.81434311    -10.20847999
  H     14.80184565      9.71500725    -10.55594424
  H     14.90146670      5.58934679    -16.01702467
  O     14.15160359     12.23861843    -15.02069398
  H     15.48927492      8.66897529     -9.60623676
  H     17.02587369      4.50773246    -12.77447949
  O     17.45538638     10.37262141    -12.68269079
  H     14.40011387     12.83374367    -14.30223448
  H     15.57806892      4.05584718    -12.53258169
  O     12.50017784      5.80277153    -13.75295380
  H     13.61137913     11.54935658    -14.61459198
  H     12.07129019      7.34155776    -10.99905018
  O     16.70123611      5.52724250     -9.86538200
  H     17.91960652      9.82829045    -12.03146080
  H     13.29485864      7.63851923    -10.12718099
  O     17.57917947     12.86123524    -13.95889106
  H     16.57328991     10.55933086    -12.33628944
  H     19.43799780      6.88181405    -15.53374036
  O     15.53378013      7.39356604    -12.48359975
  H     13.04747673      5.37198228    -13.08765828
  H     18.20123384      7.73314051    -15.17256280
  O     14.88182124     11.08503935    -11.75839658
  H     12.99399910      5.77941886    -14.58127279
  H     16.13674887     13.49795869    -13.18116791
  O     17.97958000      6.21197547    -12.36917911
  H     15.85615415      5.24944479    -10.23677612
  H     15.27005579     14.58517453    -12.49905055
  O     18.60945651      8.62648157    -10.91012164
  H     17.30910621      5.58792872    -10.61242805
  H     12.36852247      9.47039885    -13.21855049
  O     16.44942548      5.01151079    -15.61745406
  H     17.35054703     12.57818747    -14.85202088
  H     13.60887028      9.48682443    -14.13618511
  O     14.02628250      5.99365843    -16.16370110
  H     17.73231480     12.04421296    -13.46233619
  H     16.41388114     12.08012437    -17.23778917
  O     16.35160818      3.89189345    -13.08541020
  H     15.24408302      7.94327941    -11.74303989
  H     15.59959379     11.85615265    -15.94318598
  O     12.62280372      6.96530353    -10.30343833
  H     15.17394689      7.74947023    -13.30376268
  H     10.36388183      7.92770810    -12.76925494
  O     18.60733232      6.85731923    -15.06420984
  H     14.20512136     10.73769260    -12.35941423
  H     11.69621920      7.22647637    -13.11655543
  O     15.26020048     13.68001035    -12.79708230
  H     14.96228826     12.02724687    -11.94790324
  H     14.75011525      5.87809447    -11.95454750
  O     13.05234948     10.04972759    -13.57475758
  H     17.12052514      6.66976883    -12.40256260
  H     13.61700603      5.57210043    -10.97145433
  O     16.46180087     11.69477903    -16.36692867
  H     18.37327355      6.34387782    -13.23987035
  H     15.61689720      8.66528904    -15.17334047
  O     11.31062650      8.00743098    -12.68046214
  H     18.59258706      7.77458274    -11.36173450
  H     14.47757690      7.62205203    -15.47443413
  O     14.28978438      5.14102270    -11.52019296
  H     18.14147671      8.49066790    -10.07713407
  H     16.84088258      7.05437698     -8.99931197
  O     14.71554827      8.39837858    -14.95198990
  H     16.39053897      4.49860887    -14.79750820
  H     17.12745943      7.91338608     -7.74368415
  O     16.94312680      7.96798256     -8.67757171
  H     17.21082446      5.59288230    -15.51982102
  H     17.13257117     10.08073538    -15.74625864
  O     17.33675728      9.30595362    -15.20687141
  H     13.71954718      5.69303103    -17.01440128
  H     17.41399254      9.62570279    -14.29329637
          69
 Energy    -248.88660746002628     
  O     -6.09063735      1.11923920      0.91983529
  H     -5.98231341      1.37593518      1.84441652
  H     -2.24972985     -0.89149761      3.67478086
  O     -5.84631671      1.30774691     -4.02099803
  H     -5.67843420      0.24658751      0.83320220
  H      0.49908536      2.46965350      2.11554356
  O     -5.33199445      1.75172051      3.55294033
  H     -6.48503449      1.64220410     -4.64444034
  H      1.27665688      1.93813576      0.89674551
  O     -0.04968709     -1.36941373      1.35145750
  H     -6.33009291      1.12207654     -3.19521005
  H     -1.36448436      4.46188090      0.17307052
  O     -2.32401830     -0.99558986     -0.17931056
  H     -5.84015601      1.98085487      4.32671212
  H      0.01159590      3.72071214      0.27479307
  O     -4.69638068     -1.31952656     -3.69854701
  H     -4.59391583      2.38526201      3.50656111
  H     -4.16708955      2.71563205     -1.03530818
  O     -4.89392283     -1.38964685      0.69256624
  H     -0.37436089     -1.27146412      2.25401808
  H     -5.07277458      2.41104112      0.20414095
  O     -2.19978729     -0.34759338     -2.85646603
  H     -0.84084973     -1.43759315      0.79803211
  H     -6.72859521     -2.96753537     -1.89883532
  O     -3.58300277      2.07679158     -2.56739507
  H     -2.28480419     -0.96364276     -1.14329902
  H     -5.66956048     -1.95222252     -2.38906920
  O      1.54309210      0.28102815     -0.07547533
  H     -2.20102731     -0.07932053      0.11707764
  H     -0.99582425      0.90146181      3.48874835
  O      0.46226018      0.63051674     -2.64665178
  H     -3.76574777     -1.13930689     -3.51056937
  H     -1.38366241      1.66334380      2.20390903
  O     -1.29687709     -0.90812725      3.87829292
  H     -5.07593527     -0.47539314     -3.97252820
  H     -4.40625138      0.08201295      3.44780805
  O      1.05276175      2.74662505      1.37280855
  H     -3.97849998     -1.31510381      0.38179729
  H     -4.31875940     -1.10879034      2.47233385
  O     -0.70072998      3.97624721     -0.33130764
  H     -5.39611903     -1.78086601     -0.03208813
  H     -2.94148628      2.00948109      0.42578513
  O     -4.40210882      3.01344367     -0.14290952
  H     -2.68811061      0.47476621     -2.69523985
  H     -1.46482784      2.29803232      0.13160186
  O     -6.25959991     -2.17646602     -1.64721158
  H     -1.26645085     -0.10643421     -2.88220157
  H     -3.38808990      5.89702168      0.88055251
  O     -0.98394820      1.77534626      3.08124176
  H     -4.24994493      1.99037137     -3.25824048
  H     -3.57489829      4.39201781      0.57208072
  O     -3.93558382     -0.74284791      3.27934820
  H     -2.79295840      2.54118794     -2.88531091
  H     -6.94803950     -0.38492060     -1.66503930
  O     -2.05488928      1.63899060      0.51898814
  H      0.98768799     -0.31584544      0.45799942
  H     -6.90177268      0.88895139     -0.80809379
  O     -2.99557916      5.03788344      1.01477427
  H      2.44489026     -0.00208332      0.05841664
  H     -2.39137186      2.93449226      3.43821249
  O     -7.08108626      0.57105334     -1.70107109
  H      0.81615927      0.53133454     -1.74947570
  H     -3.10680354      4.07173563      2.67832013
  O     -3.21737381      3.43557924      3.39388957
  H      1.18492409      0.44590141     -3.24324229
  H     -0.91271136      3.53327028     -2.09938636
  O     -1.07998262      3.08811922     -2.94357098
  H     -1.20031023     -1.39385581      4.69282635
  H     -0.49559544      2.32184134     -2.94216846
          69
 Energy    -248.88639038070727     
  O     16.38610911      5.61467028    -12.54457861
  H     17.19710076      6.10343164    -12.33649590
  H     21.15271293      6.71577620    -14.47866737
  O     18.21442507      9.88676925    -11.85395637
  H     15.73540695      5.82358852    -11.86080232
  H     13.97955805     10.20423947    -15.17536082
  O     16.90131840      9.21497467    -15.94513201
  H     17.33600861     10.20186992    -12.11092465
  H     15.41021843     10.49250612    -15.66206450
  O     12.49993103      5.84130654    -14.99300484
  H     18.28219111     10.00593116    -10.89863019
  H     15.76118247      7.06019630    -13.54221963
  O     15.61514750      9.22640943     -8.45655984
  H     16.45411570      8.72500369    -15.23709241
  H     14.64465589      8.02132094    -14.10977867
  O     14.54708377      6.47829928    -10.68782517
  H     17.75372635      9.48421620    -15.57405554
  H     10.66794773      8.98754101    -11.88968621
  O     15.62829742     10.37635333    -12.68885523
  H     11.81912336      5.38284878    -15.47901589
  H     11.67114989      7.81758126    -12.06650045
  O     16.70348853      7.01514973    -17.52323280
  H     13.34309573      5.62614327    -15.43017029
  H     18.60414977      6.96042013    -10.16704057
  O     15.98832340      6.36834986     -8.29941771
  H     14.97676790      9.33056249     -9.17517204
  H     18.49651285      8.03833039     -9.07623376
  O     18.57298424      5.60361522    -15.89446691
  H     15.64143496      8.28210400     -8.26130091
  H     12.96459376      6.06899405    -11.64270467
  O     16.71827024      3.87868698    -14.59346174
  H     14.41043479      7.43430229    -10.75286427
  H     12.34519756      5.90722028    -13.06444893
  O     20.25668155      6.98153935    -14.29080244
  H     14.95927735      6.32186574     -9.82833631
  H     19.66909551      8.80837570    -14.49700834
  O     14.64504325     10.90085017    -15.23644901
  H     15.70080408      9.46013993    -13.00402381
  H     19.00416567      9.88544261    -13.62241924
  O     15.58587834      7.93332216    -13.90512612
  H     15.29235147     10.85699843    -13.45632620
  H     18.43503259      8.07808807    -11.99255213
  O     11.57599485      8.78734787    -12.09951068
  H     16.74987320      7.21838683    -18.45382424
  H     19.26588063      7.00476679    -12.73808902
  O     18.43360468      7.08631600     -9.22428811
  H     16.78171673      7.86045712    -17.04776578
  H     17.24178257      9.76610565     -8.80772629
  O     12.14491474      6.14124728    -12.14977868
  H     16.89298225      6.54848723     -8.61406435
  H     18.49864563     10.57072274     -8.39913235
  O     19.23107851      9.66740522    -14.53513133
  H     16.06864617      5.80530420     -7.53460238
  H     15.45476861      4.71392772    -15.69829466
  O     18.62517852      7.12910771    -12.02689350
  H     18.01804925      4.93007163    -15.48316821
  H     15.40887061      5.90060003    -16.68332451
  O     18.17446155      9.93565958     -9.03205102
  H     18.00552271      6.07175348    -16.51885090
  H     14.55479303      9.75627574    -11.38118248
  O     14.85243315      5.29315587    -16.18142811
  H     16.58583489      4.43878285    -13.80787864
  H     13.12309384      9.21327283    -11.12659888
  O     14.01526652      9.24431113    -10.76141329
  H     16.78437621      2.97898709    -14.28536297
  H     12.45612789      8.78761380    -13.78137479
  O     12.95943767      8.58094693    -14.57947778
  H     19.68163505      6.48323776    -14.89868899
  H     12.68398638      7.69567705    -14.85259144
          69
 Energy    -248.88636383342640     
  O     -4.39077241      3.02996421     -3.11152895
  H     -4.46616641      3.52049959     -3.92608295
  H     -1.05646694      1.72401406      2.73107736
  O     -5.65902085      0.47255317      2.38050593
  H     -3.43967740      2.92049988     -2.93915657
  H     -1.83841224      2.73592869      0.87945277
  O     -2.96705392     -1.78800324      1.22023631
  H     -6.27669461     -0.18902277      2.04302445
  H     -3.11207328      3.63656839      0.64414313
  O     -1.21182784     -0.17059458     -2.20030434
  H     -5.05385001      0.62123564      1.63843383
  H      1.22776123     -0.44941525      0.16003594
  O     -5.16363320      0.42160608     -2.38886998
  H     -3.25061063     -0.92562190      0.87425829
  H      2.10336641      0.81000020      0.08701578
  O     -4.90526361     -3.05433828     -0.37566872
  H     -3.56488391     -2.42290854      0.81044503
  H      2.15418989      3.26975003      0.99805432
  O     -3.55068669     -1.81611173     -2.38287130
  H     -0.31608770     -0.21348912     -2.55924172
  H      0.85779427      2.43326096      1.05348936
  O     -1.81206327      2.60397593     -2.36640716
  H     -1.50421047      0.74499233     -2.29977947
  H     -8.41013551      1.15548485     -1.16701276
  O     -0.61254030     -0.59435125      0.49580584
  H     -6.05429433      0.50753650     -2.02358908
  H     -7.05480398      1.79759512     -0.79609424
  O      1.53515619     -0.02481113     -2.85814478
  H     -4.92875033      1.28013273     -2.76242869
  H     -1.81334515      1.52490043      5.14711851
  O     -3.50824885     -0.72413841      3.73950978
  H     -4.41042052     -2.67313186     -1.12328335
  H     -2.55195906      0.65596450      4.10229453
  O     -0.62913847      1.81148064      1.86964972
  H     -5.11430254     -3.95271833     -0.61807485
  H     -7.18893248     -0.62304653      0.12309087
  O     -2.48418231      3.03529446      0.22515545
  H     -4.17175693     -1.09099207     -2.54551202
  H     -6.33208478     -1.89390044      0.35096691
  O      2.06372050     -0.11278747     -0.19279839
  H     -2.68275957     -1.39699003     -2.34519909
  H     -3.43446099      1.46170314      0.19103143
  O      1.63037544      2.64344289      0.50408825
  H     -2.02934727      2.82124658     -1.44607139
  H     -4.31444531      0.51969296     -0.67652045
  O     -7.49837587      0.94961469     -0.97670776
  H     -0.86164895      2.75697001     -2.46692302
  H     -4.72130267      5.39561164      1.63955521
  O     -2.08499112      1.50221483      4.23322521
  H     -0.84527657     -0.43003877     -0.42978742
  H     -4.60850243      3.93277507      2.13681909
  O     -6.99094190     -1.32045707      0.76055781
  H     -1.29425249     -1.18725640      0.83767075
  H     -5.63350863      3.71460759     -0.03509329
  O     -3.91314138      0.62434380      0.19403331
  H      1.82091581     -0.12966283     -1.93281835
  H     -5.50245207      3.33065479     -1.52671242
  O     -4.56664135      4.50202888      1.34630701
  H      2.16100851     -0.50031383     -3.39715408
  H     -3.71717289      2.45116091      3.74892608
  O     -6.09378398      3.28616261     -0.76563660
  H     -3.21456773     -1.26782583      2.99677556
  H     -5.08230443      2.02277764      3.16364420
  O     -4.55131427      2.79446726      3.41053492
  H     -4.36703583     -0.38136774      3.45648669
  H      1.18842680      2.78662274     -1.37998767
  O      0.92267424      2.72924731     -2.30604828
  H     -0.64328134      0.94082274      1.44199302
  H      1.22282924      1.86427627     -2.61222546
          69
 Energy    -248.88607221612943     
  O      3.74109887      1.40790011      6.27534015
  H      4.36587712      1.04556765      5.62197463
  H      1.43354446      0.04896500      3.61166094
  O      2.67018219      2.58517012     -0.78183374
  H      4.01139076      1.07822864      7.12812448
  H      3.85093330      2.53768710      0.54285406
  O      0.44357050      4.22267174     -1.18229819
  H      1.99445162      3.21004680     -1.07194696
  H      4.26915761      1.42364804      1.54848447
  O     -1.44062750     -0.59205914      2.70367603
  H      2.66314198      1.80871165     -1.36425315
  H      1.42400164     -2.08397079      1.75876118
  O     -1.42131575     -2.20650593      0.43324206
  H      0.26373098      4.95723602     -1.76329861
  H      0.45525403     -2.64545818      0.70622339
  O      3.62996424     -1.86989749     -0.33887875
  H     -0.22943683      3.54451210     -1.37161938
  H     -2.58224211      4.50816709      3.30971744
  O      2.35649050      3.49998451      3.08070409
  H     -0.48606053     -0.71973909      2.76778129
  H     -1.24631453      4.10215721      2.63998980
  O      0.14409950      4.48649514      1.70597235
  H     -1.64320485      0.01071163      3.43677804
  H      0.00984369      1.63511861      0.93142208
  O      5.45644026      0.59218568      4.32719234
  H     -1.57514320     -1.68205728      1.23552288
  H      1.46330460      1.72573479      0.33571696
  O      6.18787565      3.12535555      3.22670445
  H     -2.14201586     -2.82966206      0.37636123
  H     -1.03087319      1.35413648     -1.74692992
  O      4.17281824      4.01581285      5.08306142
  H      2.81128835     -2.22017596      0.05534740
  H     -1.75719180      2.13016888     -0.64852812
  O      1.43314505     -0.51538503      2.82565548
  H      4.11217473     -2.61921974     -0.68005656
  H      3.24658724     -0.44904845      2.37836530
  O      4.30498127      2.37595788      1.38188713
  H      2.89384717      3.85465488      3.80442512
  H      4.11866372     -0.86891689      1.17616304
  O      1.37866748     -2.65700443      0.98209786
  H      2.97873273      3.10250970      2.45856813
  H      2.98476493     -0.50807813     -1.53900475
  O     -2.03060439      3.75809179      3.10632654
  H      0.30582825      4.47025393      0.75747283
  H      1.59610119     -0.10422043     -2.05463816
  O      0.84473387      1.16371302      0.81740022
  H      0.95689459      4.20786354      2.15171465
  H     -1.87328027      0.93083015      1.63001145
  O     -1.36654388      2.23197101     -1.52900711
  H      5.11427174      0.13576088      3.54868700
  H     -2.08331262      2.45810453      1.79692455
  O      4.12313661     -0.34305325      1.98573057
  H      5.86012168      1.40680975      4.00098508
  H     -0.68064146     -1.04267349     -0.95335207
  O      2.52426067      0.16502291     -2.05484640
  H      5.57608136      2.95061444      2.49085260
  H      0.23829712      0.13158716     -0.60907205
  O     -1.92231699      1.76354827      1.14538466
  H      6.96709963      3.52345661      2.84752329
  H     -1.68731682      2.23377078      4.21691218
  O     -0.15674041     -0.34279857     -1.35684162
  H      4.95506045      3.82959684      4.54776244
  H     -0.50790555      1.42900960      4.79447678
  O     -1.45195846      1.37714668      4.59414521
  H      4.04194967      3.23392689      5.63360881
  H      1.63020944      2.16994970      4.13395649
  O      1.39707382      1.44935681      4.73728996
  H      1.25936534      0.07200893      2.06765522
  H      2.11054449      1.39748338      5.38550419
          69
 Energy    -248.88590192502261     
  O     12.24497145      2.55210494    -11.75051187
  H     12.56260296      2.75812758    -10.86147639
  H      9.17559438      3.27503224    -12.18251053
  O     12.71900110      3.25529462     -9.03725106
  H     12.21798288      3.38070121    -12.24542920
  H      8.28823760      8.62718191    -10.88214857
  O      8.22423612      6.42916417    -13.88376971
  H     12.27583537      2.65813710     -8.42118048
  H      8.56171157      7.36474024    -10.04197702
  O     14.89422106      7.06923900     -9.31266652
  H     12.09738396      3.98226997     -9.20565528
  H     10.22747372      5.50057939     -9.74008858
  O      9.74228230      1.54537269    -11.68777710
  H      9.04592215      6.57159240    -14.37109477
  H     11.68676714      5.95085157    -10.11779386
  O     11.16109075      1.84243553     -7.17774334
  H      8.35115522      5.60129081    -13.40416881
  H     11.28628586      6.22114947     -7.89991111
  O     11.71058836      5.06838266    -13.02116902
  H     15.84591008      7.11952423     -9.29576697
  H     10.60441027      7.27132867     -6.98624346
  O     11.35001545      9.04272263    -10.65066965
  H     14.63372100      6.41411434     -8.64086649
  H      9.74139771      1.63626089     -8.42900136
  O      7.75653447      8.82134077    -12.66962599
  H     10.67320239      1.83367141    -11.71405680
  H      9.22296921      1.63516928     -9.89332195
  O      7.68189567      3.91621395     -8.01015323
  H      9.68095363      0.76138350    -12.22697331
  H     12.37282295      8.19007392     -7.76732764
  O     10.52562758      9.17514836    -13.33653723
  H     10.79006606      2.65937985     -6.79681527
  H     13.63843583      8.36322685     -8.61810400
  O      9.11799958      4.22313847    -12.34785710
  H     11.39092170      1.27612333     -6.44608389
  H     13.13137919      5.70661815     -7.08031170
  O      8.69009981      8.32602137    -10.05824858
  H     11.47710011      5.61569761    -13.78131452
  H     13.62129321      4.52423344     -7.95071491
  O     11.15524723      5.45575118     -9.48112481
  H     12.19510383      5.65515568    -12.42185190
  H      8.55977943      5.07868257    -10.87477971
  O     11.32961235      6.62923144     -7.01900626
  H     10.44521176      8.80181593    -10.40990968
  H      8.09702439      5.04440343     -9.37124185
  O      8.95370192      1.75460540     -8.97453307
  H     11.84877620      9.12884996     -9.82507782
  H     13.63961757      6.86353231    -10.67309669
  O     12.83458035      8.81685218     -8.33490209
  H      7.83984832      7.94198016    -13.08073597
  H     12.36150035      7.63234374    -11.12364311
  O     13.91587041      5.31830333     -7.48375893
  H      6.98044210      9.22734272    -13.04633313
  H      9.18312764      4.21042319     -6.81917116
  O      8.45691882      5.60621484    -10.06987370
  H      6.82873104      3.68339129     -7.65383152
  H     10.43477428      5.02125553     -6.40826329
  O     12.84756016      6.80014166    -11.22145919
  H      8.07371275      3.09869559     -8.37048666
  H     11.14148848      7.23369254    -15.77289301
  O     10.01608049      4.15629559     -6.33427431
  H      9.57563559      9.21086933    -13.16868409
  H     10.81362566      7.78773480    -14.36628317
  O     10.83848522      6.97690170    -14.90616728
  H     10.94211319      9.26715092    -12.46982701
  H      9.21939114      9.38083497     -7.00612011
  O      9.31385206      8.48758891     -7.33006352
  H     10.01934417      4.51966814    -12.54505918
  H      9.02200648      8.50909008     -8.25400824
          69
 Energy    -248.88588698448791     
  O     -5.78147778      1.49526522     -1.49189368
  H     -4.89168419      1.83498829     -1.67499082
  H      0.07817264      2.80216846      3.24972317
  O     -2.71134110     -0.72809653     -4.26313928
  H     -6.20163045      2.14115119     -0.91119326
  H     -0.09783793      3.94405604      1.21190577
  O     -6.68067626      3.31312695      0.47812243
  H     -2.72836447     -0.85014284     -5.20855760
  H      0.23035012      3.35927243     -0.21291892
  O     -2.09427266      0.10193100      3.82676864
  H     -3.63633300     -0.60959660     -3.98121233
  H     -3.08588851      2.35524629     -0.77271200
  O     -2.92118125     -0.44739395      1.24269904
  H     -5.94680197      3.93445150      0.63877969
  H     -2.50159341      1.80570993     -2.08353691
  O     -2.59245224     -2.76070715     -2.20167132
  H     -7.48225133      3.82922866      0.49093711
  H      0.85065474      0.44119934      1.63130796
  O     -5.52004841     -0.63707929      0.30364328
  H     -2.82758602      0.63798277      4.15025842
  H      1.17138228      0.78711827      0.15763806
  O     -0.95778379     -1.32959222     -0.43558774
  H     -2.39488144     -0.26796159      2.98416199
  H      0.26383979      1.59225149     -1.77844153
  O     -1.09702159      0.61007664     -2.42126661
  H     -3.82863396     -0.59278721      0.94784009
  H      1.69054081      2.16357858     -1.92462672
  O      0.38426518      1.05154608      3.42684345
  H     -2.74007608      0.49917197      1.12783925
  H     -5.57048863     -3.65721033     -1.56622574
  O     -4.30648876      1.78427323      4.44914779
  H     -1.94234129     -2.41637808     -1.57397480
  H     -4.26433172     -2.83891735     -1.69448634
  O     -0.13158624      3.74123272      3.11674274
  H     -2.53958747     -2.18990651     -2.97719965
  H     -3.43197236      3.23850574      3.69770886
  O     -0.36181933      3.93922910      0.28371990
  H     -5.61849091      0.08910806     -0.32992787
  H     -2.08931003      3.89002856      3.22993138
  O     -3.20004442      2.37222891     -1.73577902
  H     -5.50498806     -1.45010710     -0.21613587
  H     -5.86019077      0.51909075      1.77268164
  O      1.10166782      0.05670701      0.78396978
  H     -0.14732144     -1.01858841     -0.01029088
  H     -6.23464661      2.01159582      1.77475777
  O      0.97729968      2.04844379     -1.30092766
  H     -1.67865023     -1.11500403      0.17605975
  H     -2.88813646      2.74870978      1.61661734
  O     -5.21531670     -2.77552989     -1.49347989
  H     -1.55485125      0.20697685     -3.17007055
  H     -1.70413525      2.74471092      0.63964227
  O     -3.04572854      3.90064829      3.10821185
  H     -1.07095076     -0.06462653     -1.72541199
  H     -2.88340136      4.28096920     -1.49604323
  O     -5.91859847      1.29675932      2.34117694
  H     -0.50747067      0.69206886      3.58903106
  H     -1.79985424      4.88055692     -0.59565454
  O     -2.47558973      2.23164114      0.91491483
  H      0.97778511      0.57516615      4.00247426
  H     -5.38708772     -1.35028223     -2.78428269
  O     -2.65210286      5.07917632     -1.00408754
  H     -4.90733870      1.58342710      3.70760771
  H     -5.57681232      0.17877697     -2.82415219
  O     -5.26411057     -0.57325730     -3.34343019
  H     -4.83477346      1.75785793      5.24240334
  H     -3.95617462      5.10325120      0.29194149
  O     -4.60664072      4.94486775      0.99091283
  H      0.41946819      4.23615047      3.71875272
  H     -4.10660214      4.76083353      1.79505232
          69
 Energy    -248.88510471335775     
  O     -0.80515312      4.19357031      3.02587989
  H     -0.36296450      3.43382774      3.42641523
  H     -0.28288280      8.26026171      0.22381869
  O     -2.90646773      5.81857113     -0.02723755
  H     -1.65138854      3.89909652      2.66639372
  H     -0.40034848      0.95539703      1.00450123
  O      4.58781099      5.81917691     -0.15908277
  H     -2.63346896      6.59809099      0.47193146
  H      1.10344624      1.30083944      0.94190903
  O      2.40985048      6.92451994      1.18876562
  H     -2.18162768      5.62298055     -0.64110994
  H     -0.79720701      3.54732819     -2.13959429
  O     -0.71911346      5.22835671     -1.55184108
  H      5.42313480      6.14509472     -0.48283383
  H     -0.96335283      2.17014669     -1.46277427
  O      2.16561324      2.46194226     -0.00743523
  H      4.04637755      5.60894211     -0.94166949
  H      0.76191900      7.68703730     -1.86162612
  O      0.71878143      4.73155161      0.72077446
  H      3.24043316      6.61582303      0.80412180
  H      0.80510273      7.84797172     -3.40250605
  O     -1.80300943      7.98803843      1.37978296
  H      2.49696017      6.92519173      2.15074253
  H     -2.75791666      2.13633048     -2.57789041
  O     -1.91764223      1.52256081      0.05424784
  H     -0.18669525      5.05752951     -0.75720809
  H     -4.04952130      2.68332375     -1.94191354
  O     -0.44126659      6.89933840      3.43886331
  H     -0.25512624      5.90049518     -2.06436936
  H      3.31302816      3.85515872      3.07534045
  O     -3.11624854      3.59683184      1.60794180
  H      2.20830649      2.44488166     -0.96939156
  H      2.10293278      3.34293090      3.89821655
  O      0.53176777      8.32897491     -0.28571685
  H      1.67225000      3.26131829      0.23401184
  H     -5.48606895      4.85200106     -1.87658546
  O      0.42799144      0.88445639      1.49537974
  H      1.30675962      5.47600334      0.90400342
  H     -4.22988314      4.95435301     -1.00089486
  O     -0.71688286      2.59389320     -2.29586756
  H      0.22360388      4.54473321      1.52817495
  H      0.66280600      1.36578179      4.60750595
  O      0.87020746      7.20454848     -2.70264872
  H     -2.23338967      8.77951965      1.69341766
  H      0.61008510      1.54984583      3.07203876
  O     -3.56947870      1.86550253     -2.13500074
  H     -1.30949225      7.62354411      2.13718976
  H      2.22147853      2.07086025     -3.50753550
  O      2.72838176      4.06958111      3.81833385
  H     -2.59081558      1.42529279     -0.63578702
  H      0.99593127      2.59417745     -2.72334369
  O     -4.81098886      4.32584409     -1.45335919
  H     -2.25364769      2.21475373      0.63624643
  H      2.88118968      7.06083636      4.68632626
  O      0.68297635      2.02532234      3.91982821
  H     -0.63040155      5.95007983      3.41215108
  H      2.48342272      5.74828909      3.96837436
  O      1.95853613      2.68669295     -2.82829569
  H      0.48678786      6.96649268      3.68960108
  H      4.46934302      4.29703672      1.01270456
  O      2.36109540      6.71669568      3.96603464
  H     -3.06193049      4.39004442      1.05043939
  H      3.61953756      3.02089299      1.01493555
  O      4.22595610      3.54134439      1.55939440
  H     -4.04461993      3.39154600      1.69566543
  H      2.28532388      5.95503476     -2.47906686
  O      2.97097933      5.30982940     -2.26889099
  H      1.22778909      7.94284473      0.26630603
  H      2.62984458      4.44398274     -2.52205858
          69
 Energy    -248.88492727886074     
  O     13.98033875      9.35276018     -9.83905001
  H     13.59325157      9.80855627     -9.09696625
  H     17.78598660      5.26284950    -14.90868266
  O     15.79310968      4.90716639    -12.57466948
  H     14.79567588      9.83470960    -10.07092004
  H     16.34693241     10.86916983    -15.53761253
  O     15.39430787     12.41624464    -12.68366974
  H     14.88827350      4.74107964    -12.28135940
  H     15.87817250      9.46363748    -15.97358118
  O     17.61256362     11.47002977    -14.27694894
  H     15.90661648      4.50935132    -13.44509020
  H     14.90201868      8.09483060    -12.75619774
  O     11.03641873      7.76379505    -15.77152006
  H     14.64031004     12.04481851    -13.15964278
  H     15.81091920      6.82158473    -12.74641644
  O     12.56338197      6.48709194    -13.75564700
  H     16.15802842     12.26579653    -13.25402059
  H     14.42878332      7.51593551     -9.79324176
  O     13.52676409     10.93300313    -14.22567697
  H     18.44092283     11.92745165    -14.39777313
  H     15.57322751      6.48381939     -9.98181733
  O     13.43920907      9.78735453    -17.67353975
  H     17.78485373     10.73899902    -13.65945283
  H     18.04698308      6.43584974    -11.01897611
  O     16.17314196      4.08469920    -15.22341905
  H     11.41295930      7.25959414    -15.03875969
  H     16.89370848      5.45218088    -11.19678401
  O     16.20932549      7.74567443    -15.67898456
  H     11.50301839      7.46844259    -16.56286586
  H     12.73828945      4.27756545    -10.95766280
  O     14.16739228      5.81642060    -15.97010339
  H     12.64034385      5.84553819    -13.03985002
  H     13.64699783      5.52719885    -10.87424774
  O     18.31074720      6.06220691    -14.79559858
  H     12.73943043      7.34670834    -13.34258426
  H     17.10075150      8.86104689    -12.62924041
  O     15.63605660     10.40238633    -15.99304113
  H     12.70927957     10.89598529    -14.73753968
  H     18.60582911      8.71455595    -12.41082674
  O     15.77120846      7.75211858    -12.99767452
  H     14.24842923     10.73473124    -14.84000416
  H     19.03189713      6.62943561    -13.25472206
  O     14.61352884      6.57601890     -9.89836532
  H     12.70558127     10.15276971    -17.16333941
  H     20.27707204      6.67011122    -12.34486412
  O     17.30850662      6.03847216    -10.54675080
  H     14.24531193     10.09360871    -17.23885414
  H     13.08239923      8.10147867    -17.92487985
  O     13.20303145      4.91534254    -11.49217135
  H     16.14633343      3.26610339    -15.71205895
  H     12.57012347      7.00576586    -18.88903769
  O     17.91232536      9.37785571    -12.50140057
  H     15.45297359      4.63975846    -15.56802345
  H     16.89447911     10.25563325    -11.08593765
  O     19.38201341      6.99042248    -12.42201133
  H     15.54025019      7.11408275    -15.96720822
  H     15.85936906     11.38160365    -11.26443256
  O     12.79334795      7.17236218    -17.97731488
  H     16.09043096      7.80374591    -14.71633687
  H     10.46333766     10.89019579    -16.00413680
  O     16.15634476     10.69386074    -10.64939247
  H     13.64167014      6.03305468    -15.18621870
  H     11.13965933      9.51634535    -15.77862686
  O     11.30947277     10.47033060    -15.87567242
  H     13.69840906      6.17608958    -16.73407562
  H     13.33188402      9.61587611    -13.02663910
  O     13.26255243      8.81636364    -12.48565280
  H     17.78348392      6.74834156    -15.22555243
  H     13.37621594      9.05918208    -11.55817711
          69
 Energy    -248.88483526916247     
  O     13.93753426      9.51434142    -10.60771678
  H     13.71225241     10.06167460    -11.37073253
  H     18.30230342      5.26184236    -11.32498770
  O     13.99343587     10.43692509    -16.55839280
  H     13.27916747      8.80576287    -10.52734107
  H     12.33781213      6.87698688    -11.35103366
  O     16.36285564     11.52490579    -12.88691897
  H     13.65716976      9.71159864    -16.01724002
  H     12.86892888      6.68840800     -9.89699101
  O     14.23756451      4.58547878    -13.57355049
  H     13.65659575     11.24368552    -16.14895847
  H     14.30792996     13.00501188    -15.09181299
  O     16.40180555      7.08015434     -8.43832268
  H     16.75394868     11.43504597    -12.00650056
  H     12.87491502     13.58398467    -15.18326021
  O     16.05744640     13.08606031    -15.17227517
  H     15.43926768     11.24746209    -12.84184388
  H     12.82563926      7.81811088    -14.15055616
  O     15.69154271      7.64635070    -11.81024153
  H     14.51059643      4.57900830    -12.64305370
  H     14.23935307      8.14695481    -14.68584121
  O     13.63273599     10.79924476    -13.02787430
  H     15.05907910      4.64548659    -14.07050972
  H     16.89506678     10.82889269    -17.80861389
  O     18.30226212      8.53242288    -11.94725616
  H     16.27480453      8.03756166     -8.45930933
  H     15.73132196     10.62915368    -16.81179885
  O     17.59178911     10.89518738    -10.51776670
  H     17.19703521      6.89296279     -8.94893204
  H     11.36160545      5.89362566    -13.44606414
  O     16.98147668      5.03597790    -14.50347973
  H     16.38497818     12.46321129    -15.83179451
  H     12.89129427      5.68155547    -13.39906795
  O     17.82478242      4.68588100    -11.93151527
  H     16.28553840     12.69635167    -14.31513723
  H     13.80356064      5.37228436     -7.80771991
  O     12.40048480      7.29479394    -10.48367057
  H     15.60960701      7.64026964    -12.77386765
  H     14.87837756      6.22694825     -8.52038222
  O     13.36220518     12.78106239    -15.02189848
  H     15.07611630      8.29406049    -11.44660781
  H     15.40742291      5.93569081    -11.27206167
  O     13.34449452      8.50729821    -14.58090143
  H     13.50264753      9.99672443    -13.55456699
  H     14.78379679      5.03586143    -10.18589676
  O     16.68186488     10.83021753    -16.87923468
  H     13.41169318     11.54148569    -13.60331972
  H     18.78497676      7.34083635    -10.71725217
  O     12.18164060      6.32009557    -13.20831605
  H     17.38767704      8.21801383    -11.85319109
  H     19.68316350      6.69951182     -9.63735845
  O     14.03683321      5.75217578     -8.65019807
  H     18.37586163      8.86547837    -12.84812377
  H     16.33557468      6.73373943    -14.64732290
  O     15.22258169      5.01029728    -11.04263675
  H     17.03970058     10.58346219     -9.79061889
  H     16.57949893      8.28572757    -14.61961223
  O     18.82233190      6.63937138    -10.04541565
  H     17.98636025     10.10548553    -10.90978374
  H     15.39413711     10.35665979     -7.90375271
  O     15.90378310      7.59485545    -14.57784096
  H     17.48368358      4.47991486    -15.09310482
  H     15.05931552      9.77177428     -9.29655874
  O     15.75542511      9.83864129     -8.61887677
  H     17.35891920      4.91109848    -13.61483928
  H     17.52760539     10.04613193    -15.38681531
  O     17.68359706      9.70581952    -14.49662249
  H     16.94311979      4.59706007    -11.54082717
  H     17.25481335     10.34285787    -13.90325711
          69
 Energy    -248.88465622337219     
  O     14.42006308     14.12811678    -13.12128191
  H     15.11847381     13.94921079    -13.76311286
  H     12.62604720     11.86988037    -14.19171034
  O     14.32508420      9.98024682    -17.36350377
  H     13.60335839     14.11120544    -13.63442438
  H     15.09521597     13.06126069    -16.30360870
  O     15.48315976      8.50661724    -11.61504829
  H     14.07325582      9.69534025    -18.23902061
  H     14.32262547     11.88370892    -16.96101224
  O     18.50656671     14.52314612    -13.49061720
  H     13.75822560      9.49727299    -16.73759536
  H     12.96703253     13.33309172    -15.66293647
  O     12.93732114      8.73791948    -15.35881454
  H     15.49194761      8.21767339    -12.53807527
  H     11.59722479     13.99149631    -15.35449092
  O     14.01788551      6.21449299    -10.88631768
  H     16.20434243      9.13991801    -11.50211340
  H     19.11542938     11.47476350    -14.07506952
  O     14.14256283      5.09457665    -13.35410118
  H     19.09418721     15.26985148    -13.56689047
  H     19.09103846     12.70288818    -13.15957308
  O     15.73014946     11.03269005    -13.85423210
  H     17.91946381     14.69915057    -12.73364931
  H     14.05928919     12.97920176    -11.58905059
  O     13.07059055      9.89555887    -11.37960564
  H     12.83218348      9.54290834    -14.83054812
  H     13.62402762     11.65753364    -10.88864008
  O     15.24624085      7.51375386    -14.26228012
  H     12.42043257      8.03874068    -14.93187887
  H     16.32647798      8.52056523    -15.36749111
  O     18.58699450     11.30544630    -15.85681283
  H     14.62567560      6.96404122    -10.95610212
  H     15.92106038      9.49859958    -16.50493419
  O     12.98076750     11.03649045    -13.86337526
  H     13.13419992      6.59895469    -10.82995253
  H     11.61788783      7.02693992    -12.95789516
  O     14.25437488     12.81214912    -16.71004748
  H     14.33357664      4.16099709    -13.34554467
  H     12.50880590      6.06767472    -13.76507250
  O     12.33420734     13.54229045    -14.95088564
  H     14.12684031      5.38929038    -12.42541868
  H     15.57777884     12.58371688     -9.97999965
  O     19.17286028     11.74246994    -13.14715074
  H     16.08375682     10.40677906    -14.49990882
  H     16.51941241     12.65147994     -8.74914973
  O     14.04180681     12.51425728    -10.74332925
  H     16.21674872     10.91833272    -13.02676879
  H     17.22156606     13.81517820    -14.61266421
  O     16.61811399      9.29641317    -15.86655747
  H     13.92853803      9.44620233    -11.41480730
  H     16.31953405     12.53932676    -14.58689125
  O     11.82882663      6.74631387    -13.85713761
  H     12.91527179     10.27982517    -12.25555762
  H     17.07418992     11.29679404    -10.87362131
  O     16.51167837     12.63531345     -9.70226916
  H     14.99875263      6.60690679    -14.04268628
  H     18.02598067     10.95577025    -12.06142170
  O     16.48577206     13.37319511    -15.05686595
  H     14.45050921      7.93277570    -14.62008329
  H     11.99675585      8.49125453    -11.16302318
  O     17.24979143     10.64843975    -11.56625293
  H     17.99080654     12.05633195    -15.92603011
  H     10.78914831      7.74284215    -10.55413830
  O     11.53614054      7.63551196    -11.13738192
  H     18.03004300     10.52054161    -15.95438356
  H     15.82063690     14.76748577    -11.91693814
  O     16.69497780     14.82780525    -11.51281553
  H     13.94922589     11.11193238    -13.86274140
  H     16.72107967     14.14702128    -10.82858878
          69
 Energy    -248.88458726401768     
  O     17.92374143      9.92770632    -14.89078771
  H     17.52157309      9.92233908    -14.00786672
  H     14.20958718     10.75259498    -14.03229200
  O     14.87907044      7.35938468     -9.48403130
  H     18.09635541     10.84481630    -15.13023150
  H     13.91315687     10.75764873    -10.30698799
  O     18.54169145     12.62270436    -15.26227131
  H     15.02234199      6.61363624     -8.90752535
  H     12.57817560     11.52918871    -10.44057106
  O     12.74664578      8.14872274    -11.24878802
  H     15.43077240      7.21698045    -10.27250634
  H     18.36078727      5.06797677    -13.35945574
  O     16.14971857      8.02871860    -15.85156259
  H     18.89975016     13.14851206    -15.97182665
  H     18.24257458      3.59870890    -13.82299991
  O     19.85671496      8.05916506    -14.48345078
  H     19.24661415     12.52518955    -14.59501303
  H     16.37464931      8.10555266    -12.05826644
  O     21.45018387      9.63308189    -12.90546267
  H     13.35858202      7.80724729    -10.58655214
  H     15.90905133      6.70747089    -12.55918340
  O     18.93438963      6.46762745    -12.31984861
  H     12.78100343      9.10859562    -11.16172902
  H     18.31799243      5.57178107    -15.56807619
  O     13.02343723      7.35449985    -13.87872683
  H     15.30752403      8.49888169    -15.83124675
  H     17.70224071      6.79678374    -16.27100896
  O     16.66271278     13.20416106    -13.18758913
  H     16.80784447      8.69015465    -15.59265811
  H     18.57219562     13.91242408    -10.76095828
  O     13.71869560      9.49132093    -15.33427174
  H     19.60595710      7.39270730    -15.13748379
  H     17.79871845     13.15024242    -11.86368288
  O     14.54538900     11.32352434    -13.32922138
  H     19.23612347      8.79118439    -14.62392986
  H     17.05535576     10.11165616    -11.67162725
  O     13.18876200     10.97690288    -10.92165697
  H     20.98606339      9.03754457    -13.51809910
  H     15.89751673     10.31815155    -12.71275343
  O     17.93450094      4.48255430    -14.00667118
  H     22.38249625      9.45410515    -13.00350839
  H     20.71733836     11.37638080    -13.09232880
  O     16.29831166      7.17216266    -11.80644420
  H     19.23196283      7.05150279    -13.03252514
  H     19.82245739     12.47791666    -12.45753896
  O     18.52649595      6.30924080    -16.15478590
  H     18.03290776      6.73196787    -12.08003810
  H     18.14345677     11.45855309    -10.37666218
  O     18.50726560     13.06792353    -11.19944800
  H     12.87843974      7.56487148    -12.94381302
  H     18.56724072      9.95629878    -10.21770875
  O     16.66443516      9.77469743    -12.48841448
  H     13.71282414      6.68207510    -13.91690320
  H     19.58844807      7.89075616    -11.04979891
  O     20.30592454     12.23304642    -13.25657359
  H     15.87259882     12.65744766    -13.28342785
  H     20.45046704      9.11817342    -11.36313753
  O     17.83301799     10.58125775    -10.11796088
  H     17.18189000     13.08249925    -13.99230287
  H     16.12110717     10.35759833     -9.44384579
  O     19.81718137      8.76790341    -10.72433601
  H     13.05593691      9.66069833    -15.99897085
  H     15.10156775      9.21949085     -9.21292085
  O     15.18502318     10.17891530     -9.28405804
  H     13.40094494      8.73232533    -14.80957971
  H     15.72887060      6.62553857    -14.75662433
  O     15.48165865      5.92468894    -14.13341368
  H     13.96304778     11.24182003    -12.56075930
  H     16.19578298      5.27697325    -14.14774983
          69
 Energy    -248.88326559600384     
  O     14.97066419      9.92388626     -9.67902188
  H     15.42177752     10.76055686     -9.50749965
  H     10.65984191      4.44435215    -12.22031468
  O     17.43685801     12.32438225    -13.73025355
  H     15.54007192      9.42918988    -10.28348072
  H     10.99956516      9.97535790    -10.90576635
  O     11.22982904     11.32754684    -14.66354592
  H     17.69858986     11.78271054    -12.96364535
  H     10.38154733      8.61615060    -10.52875038
  O      9.34364065      9.47905969    -13.49289515
  H     18.23429908     12.72167325    -14.06991663
  H     14.19767013      7.08704630    -11.50447978
  O     13.39446111     12.17607017    -13.22119033
  H     11.73738421     10.86345726    -15.34033448
  H     14.41902430      6.67832986    -10.03679446
  O     15.30875708     10.91067598    -14.88529846
  H     10.57970523     10.70416147    -14.32078013
  H     10.56478998      6.46052175     -9.20080696
  O     16.35868410     12.35461156     -9.62406721
  H      8.41796481      9.69806149    -13.55368730
  H     11.10328087      6.36874434    -10.64113326
  O     16.66157036      8.43070195    -11.43895122
  H      9.58226126      9.51401304    -12.54787657
  H     16.17723275     13.26693433    -12.58795989
  O     13.70007829      4.82286392    -12.88930577
  H     12.55591964     12.03398658    -13.68519770
  H     14.66569411     13.20127539    -12.31726535
  O     18.00243716     10.90816855    -11.48567506
  H     14.06960172     11.73545543    -13.75405981
  H     13.21703936     10.67380344    -17.36072503
  O     13.26530182      8.29010355    -12.57012162
  H     16.07226349     11.43389073    -14.61158254
  H     13.94955087     10.52230421    -16.01208974
  O     11.14385145      5.26290097    -12.14572387
  H     15.48510987      9.99654264    -14.61425581
  H     15.26488280      5.38648960    -15.97217221
  O     10.17831259      9.46293836    -10.94298456
  H     16.00273401     12.82104237    -10.40188021
  H     14.15478008      6.42097403    -15.66157062
  O     14.71595496      6.49363552    -10.93845909
  H     16.55527924     13.01883812     -8.96931837
  H     12.95603371      8.35875938    -16.34564568
  O     11.01385093      6.96118791     -9.87993243
  H     16.22480527      7.62644965    -11.12900884
  H     12.13019946      7.35276700    -15.51421774
  O     15.50396171     13.49444413    -11.93532499
  H     16.45385905      8.46435287    -12.38355615
  H     10.91152315      6.62752111    -13.42919796
  O     13.16923221     10.23532427    -16.51372744
  H     14.11629843      5.12801601    -13.70358494
  H     10.36937110      8.02780946    -13.88460297
  O     14.89771289      5.92197241    -15.27404292
  H     14.19362826      5.22999123    -12.16210384
  H     13.98374545      8.45061598     -8.85285337
  O     12.83888177      7.41770300    -16.16975936
  H     17.69440780      9.99473767    -11.41979504
  H     12.72759186      7.55704788     -9.04404000
  O     11.05260916      7.36161162    -14.03919037
  H     17.58380248     11.38377793    -10.75761333
  H     14.73646563      8.38185901    -13.52030075
  O     13.61344356      7.57855913     -8.66332033
  H     12.50885313      8.00545720    -13.09592613
  H     15.55811644      7.50731244    -14.48591833
  O     15.57967855      8.34071344    -14.00218862
  H     13.00328538      9.07490713    -12.07259848
  H     12.93693843     11.21094821    -11.77243955
  O     12.69160198     10.57426701    -11.08701107
  H     12.05953879      5.06850887    -12.41894869
  H     13.46556192     10.42635265    -10.52701653
          69
 Ord_Energy   -248.882919    
 O   0.333027750      -1.97253394      -2.04723096    
 H   0.908605456      -1.83540606      -1.27337313    
 H   0.831256866      -2.49608564      -2.66904283    
 O    1.45706117       1.30482554      0.521076262    
 H    1.80390811       1.77492976       1.28862154    
 H   0.541978240       1.05161881      0.720899463    
 O   -3.70460105      -1.87677372       3.62469506    
 H   -3.96240115      -2.69473791       4.04476213    
 H   -3.44891977      -1.27077425       4.33769131    
 O   -3.43670774       1.84220505       1.64582396    
 H   -3.64618778       2.45968509      0.936194897    
 H   -4.06678629       1.10604048       1.59979653    
 O   0.963598967      -2.00917482       2.73392272    
 H    6.83962330E-02  -2.15267920       2.38997769    
 H   0.958935678      -1.11596859       3.10759568    
 O   0.707967699      -3.38379884       5.14720821    
 H    1.43923891      -3.97040153       5.32441902    
 H   0.876608908      -3.00837421       4.26818562    
 O    2.18949223       2.69000173       2.84048080    
 H    2.86126065       3.27685237       3.17372441    
 H    1.35753775       3.20062757       2.79774141    
 O    1.88236892      -1.44603467      0.109457359    
 H    1.68744099      -1.77824903      0.994740784    
 H    1.90525782     -0.484297037      0.200615630    
 O   -1.59565413      -2.01678157       1.74697292    
 H   -2.30471897      -1.98100960       2.39863038    
 H   -1.47651684      -1.12256420       1.38866627    
 O   -3.71811604       1.02434814      -2.02244449    
 H   -2.79352283      0.833873749      -2.23531389    
 H   -4.09088707      0.192807138      -1.70754218    
 O   -1.20896626      0.478335112      0.633964777    
 H   -1.94394493       1.02249885      0.944115579    
 H   -1.26128173      0.441255033     -0.329899430    
 O   -3.77336311       3.36408758     -0.679647744    
 H   -4.46056557       3.93268394      -1.01541507    
 H   -3.80050159       2.54514122      -1.20731783    
 O   0.678592861      0.542138875       3.87253094    
 H    1.32413602       1.22255218       3.65123177    
 H  -0.192500740      0.952945352       3.77186894    
 O  -0.338413507     -0.953900814       6.03639317    
 H   -1.81948300E-02  -1.85130584       5.87196922    
 H   0.147309273     -0.387991101       5.42158604    
 O   -1.07421350       4.00156116       1.98589191E-02
 H  -0.507642686       3.61400366     -0.655388296    
 H   -1.98178041       3.86100006     -0.275733739    
 O   0.774566829       2.61146140      -1.76895785    
 H    1.49657464       3.06097960      -2.20010972    
 H    1.13989294       2.18439174     -0.974070907    
 O   -1.83619595       1.79447234       3.84785223    
 H   -2.25824380       1.24841475       4.51942682    
 H   -2.45942855       1.85167110       3.10707331    
 O   -2.87215853     -0.176329300       5.65951204    
 H   -1.97247279     -0.494645059       5.86333179    
 H   -3.27172565       7.84424916E-02   6.48679733    
 O   -1.00569129      0.487247854      -2.18849373    
 H  -0.373107433       1.21742272      -2.20431447    
 H  -0.513193786     -0.340811998      -2.25973296    
 O   -2.15406895      -2.78922558     -0.862312794    
 H   -1.94735408      -2.67818832       7.68495500E-02
 H   -1.33592665      -2.59921169      -1.33420658    
 O   -4.54742527      -1.52594030      -1.03539574    
 H   -3.69639826      -1.99816179      -1.02027345    
 H   -5.16134071      -2.08634043      -1.50325131    
 O  -0.212687850       3.84097695       2.66438365    
 H  -0.550449908       3.94553089       1.76231480    
 H  -0.844232023       3.29347014       3.14511347    
 O   -4.98836565     -0.383412868       1.53082323    
 H   -4.87356091     -0.837575853      0.686028123    
 H   -4.65971851     -0.973986328       2.21868443    
          69
 Energy    -248.88266214591357     
  O      1.78597221      0.42648851      4.79241690
  H      1.73425535      0.04665605      3.90616080
  H      0.79917328      1.73616820      0.03514471
  O      1.20829074      2.18480646      7.69306288
  H      1.12216890      1.12744673      4.85706746
  H     -4.09630879      1.72933531      2.19869816
  O      0.01413774     -4.97572020      5.97267374
  H      1.96548603      1.59208041      7.62678676
  H     -2.86701672      0.79601699      2.08968217
  O     -1.43243309     -2.45926653      8.96716635
  H      0.77415688      1.95262349      8.52252678
  H     -2.96790091      1.00780683      4.40396661
  O      4.09606754     -2.53655381      6.18625446
  H      0.64203386     -4.54016308      6.56573439
  H     -2.59796095     -0.31311642      5.10658654
  O      1.45723971     -0.84884398      2.37397520
  H     -0.86436803     -4.76812850      6.31068205
  H     -1.12596987      0.14092806      0.85533752
  O      2.88499158     -2.85084307      3.78013727
  H     -1.73396948     -1.60404393      8.62907916
  H     -1.61951609     -1.15717986      1.52717504
  O      3.02076943     -0.07035250      7.19773101
  H     -0.50646836     -2.31511376      9.18304150
  H     -1.65168768      2.51219605      2.59153391
  O     -0.23279446      1.03231542      9.87164320
  H      3.70806045     -2.61862707      5.29590525
  H     -0.46739230      2.77113938      3.53602495
  O      1.34954097     -1.24973045      9.20098138
  H      4.98092814     -2.88728720      6.13198337
  H      0.69293925     -2.08976637      6.51604707
  O     -0.82069257     -2.48434071      2.60380599
  H      1.24846238     -0.14887859      1.74282359
  H      0.75516372     -0.81094358      5.62733606
  O      0.47599694      1.21564627      0.76523970
  H      0.65789837     -1.38775846      2.46208663
  H      0.83484238     -5.56748111      3.00330371
  O     -3.28237520      1.48958786      2.63348085
  H      2.23272299     -3.55206794      3.66193569
  H      0.45521840     -4.83514044      4.31246509
  O     -2.65438944      0.64405660      5.24112260
  H      2.58260966     -2.12636558      3.21871536
  H     -0.89817864     -0.41716777      7.27885896
  O     -1.92189985     -0.32698157      1.13714753
  H      2.66258128      0.18868483      6.33380237
  H     -2.19801158      0.36925572      7.04218676
  O     -0.72963634      2.79739820      2.60619816
  H      3.57378897     -0.83419296      6.99641867
  H     -2.11975278     -3.56924048      7.76674159
  O      0.15950621     -1.40008387      6.10624689
  H     -0.78214150      1.35632562     10.58046166
  H     -3.17268583     -4.64028256      7.40671192
  O      0.73849540     -4.70110904      3.38984470
  H     -0.83004073      0.75617302      9.15428030
  H      2.61001143     -3.18906577      7.06529520
  O     -1.62303712      0.03498770      7.74008402
  H      0.88358850     -0.52519956      9.63395482
  H      1.66091959     -2.78400050      8.22493993
  O     -2.49016709     -4.08913014      7.03244891
  H      1.91690095     -0.82194079      8.54157933
  H     -1.03728200      1.70209466      5.39591912
  O      1.74314590     -3.36460107      7.45615036
  H     -0.32925249     -3.30236750      2.75104267
  H      0.17162762      2.32488647      6.18066113
  O     -0.23586631      2.23301302      5.30657267
  H     -1.39510799     -2.37722961      3.37526704
  H     -1.30904831     -1.89207788      5.33813461
  O     -2.18922163     -2.12089085      4.99133262
  H      0.11054052      1.84084873      1.41734750
  H     -2.51076238     -2.81870853      5.57215800
          69
 Energy    -248.88265602222162     
  O     15.68522546     10.38221171    -16.29281593
  H     16.03124632      9.65454845    -15.75284713
  H     17.82191757      6.43827445    -11.50827053
  O     15.64614735      4.90556427    -13.36888585
  H     14.78467940     10.54846092    -15.99408421
  H     20.70749472     10.62430919    -16.93120556
  O     19.46924111      8.69845109    -14.24372483
  H     16.42250859      5.05771848    -12.81810768
  H     19.28232540     10.83159970    -16.36423850
  O     14.33472079      6.64440075    -17.67008974
  H     15.91199134      5.11153121    -14.27708863
  H     17.66869323      8.44089094    -14.57084418
  O     17.75811075     10.69370142     -9.62180276
  H     19.75189566      9.20754009    -15.01475145
  H     16.59931416      7.46373486    -15.14879072
  O     15.10537157      8.40379473    -12.51171433
  H     19.44232745      9.29455776    -13.48287851
  H     12.30329555     10.94366622    -15.62867676
  O     17.07883599     12.19027473    -13.22923191
  H     14.89381857      7.36190827    -18.02455084
  H     13.01185850      9.61286760    -15.27830471
  O     19.58064345      5.94340936    -14.17659964
  H     13.90132549      6.23709611    -18.41456193
  H     16.53875282      8.20775862    -11.44832077
  O     13.36518764      6.29643255    -13.11148066
  H     17.01619258     11.25779064     -9.87900038
  H     17.96922402      8.79100407    -11.49218545
  O     18.95537204      5.50728980    -16.75903381
  H     17.45076379      9.78607589     -9.72042409
  H     13.42409657      7.44546281    -16.21064060
  O     16.32031991      5.81366612    -15.89594768
  H     14.43393912      7.71758080    -12.59887137
  H     13.09274867      7.29688260    -14.70279595
  O     17.97679963      5.53465782    -11.82942280
  H     15.66197937      8.35753348    -13.30673704
  H     18.32657207     10.95230413    -12.61245218
  O     19.96466895     10.16185189    -16.55278418
  H     16.95644042     12.64984290    -12.39302073
  H     18.75359694     10.56428709    -11.18855759
  O     16.72256224      8.32259385    -14.72288256
  H     16.23783933     11.72932006    -13.36078418
  H     15.15530704     11.94396589    -11.36023029
  O     13.07703386     10.58305163    -15.20434861
  H     19.06865014      5.71056774    -13.39448455
  H     15.09684572     13.01096376    -10.24904734
  O     17.42208138      8.12298508    -11.05932380
  H     19.66762132      6.90812654    -14.15721983
  H     19.12102003      8.74755208    -17.55890928
  O     13.02325399      7.89456235    -15.45663945
  H     12.69809227      5.79328197    -12.65329441
  H     18.83149406      7.22655091    -17.60629073
  O     18.89708307     10.34662068    -12.12037484
  H     14.15157200      5.72421042    -13.18417980
  H     14.69743714     10.11964752    -12.62545629
  O     15.67819821     12.38113165    -10.66843623
  H     19.23532423      5.60691761    -15.83052111
  H     13.94593305     11.03763661    -13.60740288
  O     18.62072859      8.06865644    -18.02595877
  H     19.47810674      4.80252609    -17.13130045
  H     17.81401596     12.16799136    -15.00872122
  O     14.52864896     11.04997870    -12.83932529
  H     17.16857543      5.63388267    -16.32136887
  H     17.16288210     11.45179139    -16.19394133
  O     17.98417742     11.88123454    -15.91318058
  H     15.65912434      5.99081728    -16.57702351
  H     16.89460790      8.40930022    -18.41131061
  O     15.94923191      8.61626019    -18.46037712
  H     18.29991934      5.03418610    -11.08366594
  H     15.81025015      9.34875659    -17.84698375
          69
 Energy    -248.88261855286385     
  O     -2.26544614     -2.68811633      0.09071673
  H     -2.37042983     -2.47625041     -0.84447813
  H     -3.65823108      3.58330375     -1.82783798
  O     -0.33195320      4.15387211     -1.98870960
  H     -1.33424107     -2.92162810      0.18513794
  H      0.68797083     -1.81311942     -1.23557896
  O     -2.30290861      0.73635211     -1.89166009
  H      0.00466915      4.60797004     -2.75712937
  H      0.64126085     -0.38156957     -1.83927192
  O      0.20250631     -0.07475794      4.78756612
  H     -1.27031618      3.95995464     -2.16863512
  H     -2.12541652      2.95850410      3.33436521
  O     -0.57491464      6.47662146      2.99194063
  H     -2.33502248     -0.16098725     -2.24257318
  H     -2.60607832      2.10112119      4.51809170
  O     -1.57108745      2.74225458      1.64685979
  H     -1.37948240      0.92452496     -1.66948753
  H     -2.83304994      5.58190257      0.63573128
  O     -2.68291916      0.19480351      4.61771525
  H     -0.73450342      0.13983397      4.87579166
  H     -3.76328612      5.60819467      1.85761586
  O     -2.03764926     -1.92538816     -2.67427727
  H      0.67210113      0.75274798      4.62533716
  H     -3.21471307      1.06078897     -0.39796322
  O     -2.85011266     -0.79508999      2.01160425
  H     -0.63320996      6.10043804      2.09780445
  H     -4.22889690      2.06802834      0.20763368
  O     -0.08150187     -1.12137328      2.29886354
  H     -0.30606517      7.38607881      2.88951025
  H     -2.42137432      6.02604383      3.55310509
  O      1.72378668      2.23703342      3.93954638
  H     -2.27993772      2.26459881      1.19651497
  H     -3.14964948      4.73990251      3.97387182
  O     -2.90498263      3.41366322     -2.40511308
  H     -0.75813851      2.22604495      1.57475987
  H      0.60698939      1.45199954     -0.35529821
  O      0.52995543     -1.31683752     -2.04974865
  H     -3.24641862     -0.30098719      5.20786990
  H      0.24561396      2.37525227     -1.54818706
  O     -2.40407515      3.00706629      4.26284265
  H     -2.80611556     -0.19053764      3.73526948
  H     -0.04186624      5.06346490      4.12288307
  O     -3.76248898      5.55914904      0.89071561
  H     -1.08483855     -1.76425860     -2.54230009
  H     -0.79413181      3.83510801      4.67442081
  O     -3.63086798      1.34337076      0.43072281
  H     -2.12672775     -2.41825015     -3.48509995
  H     -4.61687974      4.34329777      0.05753272
  O     -3.29724550      5.62807457      3.62368075
  H     -2.78893053     -1.53399397      1.38712392
  H     -5.92245858      3.84265697     -0.60661211
  O      0.33783985      1.45145834     -1.28482580
  H     -3.21685077     -0.04885763      1.51700708
  H      0.56573905      0.44692942      1.68091938
  O      0.08025759      4.24518799      4.61895244
  H      0.11218882     -0.89518239      3.22060529
  H      1.25607420      1.72043518      2.22724738
  O     -5.01104525      3.61115305     -0.45202377
  H     -1.03333467     -1.00571762      2.17223632
  H      1.18496518     -3.56066000      0.65155154
  O      0.82802485      1.34818526      1.44507357
  H      2.58286193      2.37321584      4.33008947
  H      0.47120679     -2.26403982      1.09936111
  O      0.62316406     -2.85506389      0.34157044
  H      1.17463048      2.99983340      4.19587129
  H     -1.18678381      4.34220735      0.99066734
  O     -0.94470519      5.19006431      0.58347471
  H     -2.78663970      2.45324662     -2.39970018
  H     -0.63151977      4.97487295     -0.30137750
          69
 Energy    -248.88256244831663     
  O     10.02043346      6.78480008    -12.08149803
  H     10.46021177      7.61156679    -12.31056924
  H     16.39113229      5.66707074     -9.99772319
  O     13.78804717      4.68576498     -8.54131497
  H     10.23592531      6.16922251    -12.79151591
  H     15.70206688      6.69784240    -14.19260607
  O     16.86691169      7.82274605    -13.41413049
  H     14.58523160      4.62964185     -9.07923711
  H     15.48975590      5.21864179    -14.62840817
  O     16.58884320      3.70819190    -14.43378841
  H     13.14405313      4.07653849     -8.92354973
  H     13.28792056      5.09727236    -12.02042467
  O     17.07593485      7.23592563     -9.51080233
  H     16.51565653      8.21966888    -12.60490588
  H     14.26990048      5.94668638    -12.86507022
  O     12.73475902     11.29997423    -13.77968828
  H     16.86674043      8.51784943    -14.08529591
  H     10.99474458      6.26175447     -9.08664793
  O     12.51544551      7.06757048     -8.18389900
  H     17.15311297      4.22384139    -13.82797364
  H     10.22381451      6.09647967    -10.42637358
  O     12.57338959      7.18929611    -14.93495307
  H     17.17104086      3.24596984    -15.03044629
  H     15.52705168      9.74003922    -15.53631384
  O     15.07288266      2.74063380    -12.21317341
  H     16.69892705      7.96814265    -10.02382587
  H     16.90890881     10.24184851    -16.01860835
  O     15.46410685     11.17923635    -12.88535089
  H     17.87845312      7.57266124     -9.12009000
  H     12.99405447      7.90027950     -9.74830057
  O     17.85097417      5.28438254    -12.63835235
  H     12.32286608     10.50944924    -13.38981662
  H     13.44999121      7.29270614    -11.10216329
  O     15.97108485      4.90871038    -10.43384766
  H     12.07489429     11.98822127    -13.76708559
  H     15.74545466      9.91102764    -11.64386235
  O     15.04004758      6.06294149    -14.50456804
  H     13.01829920      6.23540807     -8.24517120
  H     14.91505755      8.81764680    -10.91708182
  O     13.88161871      5.85744519    -11.98517608
  H     12.54491866      7.34064984     -7.27108736
  H     13.31254620      8.79445031    -15.68302764
  O     10.42356153      5.66500434     -9.58242707
  H     11.95832461      6.46166025    -14.78344471
  H     13.39418463     10.26972323    -15.24138498
  O     16.45429490      9.87033132    -15.26757365
  H     13.45804868      6.79554062    -14.89465054
  H     11.08608781      4.09668964     -9.63756607
  O     13.27599000      8.13008255    -10.64152065
  H     15.49172304      3.24899319    -11.50949363
  H     11.07168097      2.60394315     -9.21541521
  O     15.81714436      9.08526732    -11.14337931
  H     15.57442525      2.94129588    -13.01372498
  H     12.11091688      8.31459386    -13.53061819
  O     13.80688393      9.61230500    -15.81646112
  H     14.53878663     11.32014362    -13.12174471
  H     12.30278002      8.71109223    -12.02820081
  O     11.57675894      3.25456711     -9.69493539
  H     15.89369005     10.87743343    -13.69472107
  H     11.46631696      4.38836089    -13.54317459
  O     11.80804309      8.91698499    -12.83565524
  H     17.37531769      5.13887817    -11.81246195
  H     10.38050011      4.41695566    -14.64039814
  O     10.96316402      4.97579629    -14.13136938
  H     17.68849824      6.20649490    -12.88008549
  H     13.31827810      3.10977972    -12.35350609
  O     12.43205958      3.50180866    -12.32020568
  H     15.25516619      5.26956121    -10.98035081
  H     12.07296260      3.32475797    -11.44007127
          69
 Energy    -248.88214447601393     
  O     12.84451104     12.26840683    -15.35500686
  H     12.05642357     11.84355101    -14.98208695
  H     14.89236843      6.72210680    -18.86626229
  O     15.10507417      7.13486244    -13.65827098
  H     13.48865324     12.26520717    -14.64216737
  H     17.80715250      8.11222281    -12.22766928
  O     16.25810357     10.75012137    -10.94820664
  H     15.08135605      7.98957260    -14.11780601
  H     18.67301303      9.34757142    -12.56117986
  O     17.20349765     12.20701569    -14.07902608
  H     15.54993888      7.29851994    -12.81610327
  H     16.89634914     10.31807481    -17.04258776
  O     12.90155091      8.83268446    -16.87790837
  H     15.67459114     11.03904697    -11.66223551
  H     17.83907009      9.57234674    -16.02823603
  O     12.65089309      9.80438148     -9.02013771
  H     17.16152872     10.94910784    -11.22510357
  H     15.71460969      9.76746662    -15.43930997
  O     12.52277838      7.62504577    -12.74465594
  H     17.26252314     11.65013925    -14.86957730
  H     14.20880262      9.36669687    -15.61776924
  O     14.56195149     11.45628143    -13.08760177
  H     16.28435742     12.18325662    -13.79194717
  H     10.75435079      9.94391995    -14.41589943
  O     16.34710720      6.52867167    -16.09530196
  H     12.90917042      9.69987669    -17.30618644
  H     11.24797861     10.74233645    -13.20041811
  O     13.69450335      7.34940553    -10.14876039
  H     13.50417793      8.25841705    -17.37030644
  H     11.63617426      8.33975987    -15.74038816
  O     18.69457378      8.00775312    -15.48194434
  H     12.04272789      9.93847452     -8.29800134
  H     10.27995808      7.63881441    -15.49384402
  O     14.88381850      7.39152230    -18.18770795
  H     13.50196540     10.18811128     -8.74718735
  H     18.27394105     11.61304515    -12.85979082
  O     18.49655589      8.43474933    -12.82064847
  H     11.91729862      7.68774150    -13.49275937
  H     19.51426874     11.74170420    -11.93998429
  O     17.27732764     10.34769521    -16.15184523
  H     13.37836642      7.34844541    -13.10365781
  H     16.19841236      8.88752443    -11.10109314
  O     14.90438162      9.52580932    -14.97005763
  H     13.78066569     11.18917823    -12.58118917
  H     15.40539249      7.61811354    -10.73862608
  O     10.85210573     10.84101602    -14.07673123
  H     14.69692309     10.75224498    -13.74347944
  H     15.79733092     10.62063985     -7.79324808
  O     10.97516080      8.12724570    -15.05996444
  H     15.90184898      6.52504348    -15.23732471
  H     15.56803963     10.83161351     -9.29936207
  O     18.75614689     11.19407779    -12.12300591
  H     17.19866618      6.95640671    -15.94256485
  H     14.99580001     10.62526605    -18.31019327
  O     16.19243650      7.92768811    -11.21095824
  H     13.16377826      7.27845320    -10.95270218
  H     15.53090764      9.18437382    -18.46848036
  O     15.11794521     10.79570242     -8.43983888
  H     13.32169481      8.09405578     -9.66246043
  H     12.42184701     10.20755962    -10.83140531
  O     15.80311519     10.10970789    -18.43123187
  H     19.58663912      7.72713113    -15.66829962
  H     12.50344067      9.35338874    -12.11844435
  O     12.43375831     10.26361925    -11.79380068
  H     18.63149266      8.11600153    -14.51542644
  H     13.16899918     11.78629849    -16.97838636
  O     13.29042196     11.40410681    -17.86699597
  H     15.42052043      7.04944138    -17.44958344
  H     12.85708125     11.99400221    -18.47796489
          69
 Energy    -248.88199764934410     
  O     11.70774597     10.30434066    -14.94480895
  H     11.43122142      9.90033573    -14.11348844
  H     18.13901780      9.15089343    -12.70508767
  O     17.26122156     10.64890403    -11.95619220
  H     12.16797254     11.12278855    -14.72132710
  H     16.07753079     11.88695580    -15.75499539
  O     17.34510569     11.05910797    -14.75233107
  H     16.30886732     10.79493920    -12.04565068
  H     15.26717855     11.47384183    -16.99558729
  O     13.03351984      6.13910140    -16.02775540
  H     17.38715654     10.25172758    -11.08420013
  H     15.95928526      9.70473639    -14.77743567
  O     14.90601889      8.71184415     -8.65438148
  H     18.09094115     10.55706526    -15.10615309
  H     14.57321517      9.14520677    -15.25190954
  O     14.30350396      6.62365860    -11.59599791
  H     17.44078584     11.07699368    -13.79127324
  H     10.17892706      9.00041200    -12.04075583
  O     14.53336418     10.82857147    -12.53790139
  H     12.71296605      6.25080819    -15.11316077
  H     11.71369452      9.04639462    -11.86976391
  O     17.28712131      8.14211256    -17.16616830
  H     12.54341893      5.41480256    -16.40617642
  H     17.60931609      7.35272536     -9.94761374
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  H     14.22615944      8.96641443     -9.29113599
  H     17.35798837      6.23668536    -10.98511281
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  H     14.86396110      7.74846662     -8.59997660
  H     12.95052095      6.47395604    -12.83453118
  O     15.77649437      6.51863704    -15.38466259
  H     15.16494354      6.56944802    -12.03284439
  H     11.72341079      7.31948257    -13.23481125
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  H     14.41863046      6.25222728    -10.71260552
  H     16.52529420      6.08238537    -13.68694216
  O     15.27965242     12.09821059    -16.26203246
  H     14.71423201     10.12717188    -13.18490762
  H     17.45141732      7.01828131    -12.88762793
  O     15.23469820      9.10784659    -14.54772934
  H     14.12565637     11.54602080    -13.03676395
  H     16.53517161      9.13803220     -9.17199519
  O     11.00058363      8.95801743    -12.52387297
  H     16.63004150      8.73167142    -17.55474526
  H     17.96414896      9.55441457     -8.75631276
  O     17.44939361      6.40585400    -10.03761307
  H     16.80316822      7.47000795    -16.66853355
  H     14.48149244      9.53735451    -17.69423758
  O     12.25079894      6.55701075    -13.49712307
  H     15.01120806      5.09309276     -8.42288992
  H     14.99898542      9.99247933    -19.07932062
  O     16.81005641      6.29464775    -12.79078149
  H     15.94448861      5.98348862     -9.28117243
  H     13.62474960      8.25014511    -11.16155735
  O     17.43871563      9.28064055     -9.50463204
  H     20.09358019      9.23726206    -16.15339899
  H     13.67245300      9.79062941    -11.38905078
  O     15.24441497      9.92398921    -18.15983184
  H     18.60747278      8.81717692    -16.27577378
  H     13.12468195     13.49688106    -14.42314847
  O     13.21454402      9.08941685    -10.90116670
  H     14.90010310      6.22732989    -15.66182639
  H     14.02175714     12.44105493    -15.11002404
  O     13.36147838     12.57358619    -14.40559890
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  H     13.13480133      7.93249025    -16.48998466
  O     13.29885187      8.87678497    -16.60199505
  H     18.88936564      8.60339433    -13.94137627
  H     12.63757202      9.36692082    -16.08826814
          69
 Energy    -248.88166139650411     
  O     -5.32582130     -2.03309722     -0.36873085
  H     -4.95059785     -2.71499009      0.20940489
  H      1.05335819     -5.66072507     -2.18082118
  O     -0.91891672     -6.14574143      0.20165777
  H     -5.40418112     -1.23908480      0.17369635
  H      1.39606592     -2.18535886      0.18748259
  O     -2.74738815     -3.49343656      3.44645853
  H     -1.49596079     -6.90009634      0.04565142
  H      0.40240782     -2.65145763      1.29840534
  O     -3.03163578     -7.83240874     -0.76354810
  H     -1.36618716     -5.41111943     -0.25033181
  H     -1.91321364     -3.31414016     -1.04045218
  O      2.30891157     -2.98570281     -1.27134567
  H     -2.83009823     -2.53552646      3.28493792
  H     -2.82141462     -4.33254331     -1.79589163
  O     -3.70420227     -4.51297515     -3.40021887
  H     -2.91870427     -3.63467512      4.37342641
  H     -2.77900383     -6.07311894     -3.43939280
  O     -0.74392058      0.33982718      1.54994991
  H     -3.81675577     -7.26746884     -0.65828013
  H     -2.39799606     -7.21173920     -2.46579251
  O     -5.18691258     -6.15568556     -0.44373618
  H     -3.32709886     -8.72940935     -0.62956679
  H     -1.12949354     -3.91840525      2.57200844
  O     -6.17582514     -3.96803728     -2.16274399
  H      2.01763104     -3.91460073     -1.20642275
  H     -0.48628738     -4.87070355      1.53751028
  O     -3.41125510     -0.72037020     -2.08469554
  H      3.26004226     -3.00259840     -1.33979899
  H     -1.52236523     -2.25838377     -4.21298803
  O     -1.05338561     -1.77852165     -1.28903228
  H     -3.33353281     -3.73092791     -3.83647554
  H     -2.82030325     -1.58103578     -3.70586632
  O      1.38344879     -5.51784329     -1.28454330
  H     -4.60225638     -4.30734742     -3.11612215
  H      0.55193744     -6.02693800     -4.66124860
  O      0.73598504     -1.87442769      0.81878808
  H     -0.15228514     -0.39845958      1.33242417
  H     -0.62124841     -6.06184422     -3.65846283
  O     -2.38121023     -4.15386991     -0.95575524
  H     -0.19941657      1.00740249      1.96177814
  H      0.24329436     -3.76922076     -3.61093501
  O     -2.13892060     -6.78459990     -3.28985222
  H     -4.93232850     -5.53837239      0.25713289
  H      1.13007320     -2.77623207     -2.83626582
  O     -0.34248391     -4.05333323      2.03053313
  H     -5.61834460     -5.60572393     -1.10530733
  H     -3.73917034     -3.95371019      1.95499153
  O     -2.47730369     -2.23636582     -4.32908944
  H     -5.96806678     -3.23591751     -1.55926656
  H     -3.47907884     -4.12045191      0.42764393
  O      0.21874568     -5.61589022     -3.86783452
  H     -7.05357827     -3.80264434     -2.49834814
  H     -5.71132824      0.93690424      1.56256636
  O      0.34692195     -2.83066173     -3.39919050
  H     -2.55824144     -1.05545157     -1.75989380
  H     -4.39157534      0.70449277      0.78761034
  O     -4.17464886     -4.07353931      1.10402504
  H     -4.09078397     -1.19973596     -1.59478830
  H     -2.16128175      0.96837867      0.32532510
  O     -5.11006780      0.25691988      1.27076659
  H     -0.56225559     -2.10476590     -2.05727048
  H     -3.08071954      0.72223031     -0.89957195
  O     -2.98742837      1.24249826     -0.08969796
  H     -0.44895291     -1.76052060     -0.53827830
  H     -3.75972522     -0.52985564      2.39066594
  O     -2.98362864     -0.88179689      2.84140757
  H      0.68528591     -5.83378335     -0.69667130
  H     -2.21838307     -0.44465894      2.44816404
          69
 Energy    -248.88149854742534     
  O     17.82242362      8.70455334    -15.48495194
  H     16.87474170      8.82071840    -15.34267434
  H     14.98609291      7.41318610    -16.30953852
  O     16.98754731      1.93487020    -13.01036209
  H     17.90817860      8.08344315    -16.21766456
  H     18.66171613      1.84545968    -12.86310580
  O     20.84455283      6.03237393    -13.15594289
  H     16.70394284      2.12469400    -13.91708950
  H     19.89213882      1.04863150    -12.36680421
  O     14.13314092      4.27771322    -16.13528380
  H     16.34297065      2.32923985    -12.41335448
  H     11.98493577      7.53868547    -10.09594807
  O     18.52514217      4.53480749    -15.96286171
  H     20.40833908      5.54526855    -12.44010780
  H     13.07193093      6.43971086    -10.04290256
  O     13.55840983      4.86158358     -9.47913668
  H     20.98359944      5.36585523    -13.83429285
  H     18.59422977      4.53288921    -10.84692424
  O     16.83760285      7.70016255    -11.10385169
  H     14.44409192      5.13264379    -16.48459377
  H     19.37107990      3.47368958    -11.71893140
  O     17.11295543      5.14060861     -9.99128728
  H     13.32349289      4.06830129    -16.59231698
  H     14.51181831      4.74593023    -14.39549215
  O     17.85780586      6.67722476    -17.52211305
  H     19.36898936      4.14160011    -15.71018049
  H     15.80417549      5.15085698    -13.61714937
  O     17.55370036      5.43689713    -13.55503550
  H     18.14000195      4.87488180    -15.13954053
  H     19.60493714      7.40152407    -13.13851355
  O     20.81855956      3.47282704    -14.74898634
  H     13.99408254      4.25875053    -10.09484549
  H     18.56690802      8.29266603    -13.91789128
  O     15.08518796      6.67316793    -16.92063355
  H     14.18393944      4.99987551     -8.75688885
  H     13.83898904      7.59799689    -11.87741746
  O     19.63034496      1.88381783    -12.74389428
  H     17.59122788      7.89362697    -11.67844456
  H     14.50718831      6.68290286    -12.94467185
  O     12.89697441      7.36068529    -10.30920221
  H     16.05008152      7.70712162    -11.66434342
  H     14.98689278      3.99629571    -12.09903785
  O     19.26578984      4.41329103    -11.53230600
  H     16.72914414      5.21148698     -9.10955739
  H     15.92775474      4.01474186    -10.86701719
  O     14.83935013      5.06580801    -13.54718382
  H     17.04328080      6.01872324    -10.39533817
  H     17.14750276      3.19656379    -15.90281866
  O     18.77731232      7.89703677    -13.05878761
  H     18.32560996      6.68065537    -18.35321675
  H     15.61075988      3.10323061    -15.88324124
  O     14.45301325      7.59664859    -12.62215100
  H     18.14857351      5.88579686    -17.03811317
  H     15.76463033      5.68289646     -6.70950782
  O     15.25104286      3.48852987    -11.31717253
  H     18.05847453      4.93453685    -12.90309826
  H     15.51208255      6.56738759     -7.95564707
  O     16.41361834      2.63127441    -15.63255251
  H     17.86446234      6.34813182    -13.46925483
  H     15.91020537      8.11780997     -9.52013104
  O     15.62986256      5.64871306     -7.65223466
  H     21.62257972      3.04640079    -15.03679010
  H     14.39987676      7.99961096     -9.25225365
  O     15.25403064      8.07945505     -8.81009336
  H     20.43837166      2.90330041    -14.06156152
  H     14.77914358      8.44964174    -14.15461565
  O     14.99268311      8.81680441    -15.02785684
  H     16.00335563      6.68914980    -17.21848929
  H     14.50505622      9.63351542    -15.10645648
          69
 Energy    -248.88143179202910     
  O     13.53438472      9.52990242    -16.70699803
  H     13.85667687      9.64473785    -17.59680282
  H     13.40156930     12.17351049    -13.31683819
  O     12.05948647      7.25547063    -10.52604709
  H     12.95719924     10.29162368    -16.51640542
  H     17.20236336     10.60745236    -10.50044091
  O     14.56864227      9.05385464    -14.15647146
  H     13.00064342      7.33767902    -10.31475882
  H     17.12306440      9.64998611    -11.71700537
  O     12.85733113     12.84528817     -7.18209021
  H     11.64006955      8.04739562    -10.17324982
  H     17.01301354      7.28441930    -12.90739831
  O     11.82180867     11.52416463    -16.02752743
  H     14.35238743      9.18298905    -15.08829521
  H     15.87372751      8.29780798    -13.15516585
  O     12.20492021      8.16429272    -13.10862395
  H     13.76828862      8.70455802    -13.73341831
  H     11.69746952     15.23913246    -11.52755685
  O     15.21693327      9.04300352     -7.70785419
  H     13.04083289     13.38303276     -6.41662695
  H     11.79501751     13.88896670    -10.77464245
  O     13.86862565     10.60162045    -10.51604285
  H     13.67687484     12.80758929     -7.70697551
  H     15.39388695      7.81160379    -10.94973089
  O     12.59087407     10.00741989     -7.40470025
  H     10.95476463     11.12796830    -15.87641937
  H     14.47996322      8.88399836    -10.31704962
  O     14.95205206     13.91043875    -11.21961152
  H     12.05239373     11.97544637    -15.20471501
  H     10.07801321     10.32703207    -13.54109239
  O     11.22414662     10.07413789    -10.02886326
  H     11.66387135      8.95717935    -12.99336540
  H     11.24688033     11.15938301    -12.95574046
  O     12.48034298     12.43110624    -13.44654505
  H     12.15919573      7.68341579    -12.27133561
  H     15.08813569     13.13605174     -9.61576127
  O     17.18383479     10.57976053    -11.46477636
  H     14.32001696      9.33904390     -7.49809489
  H     15.81998053     12.08366476     -8.70498826
  O     16.50518567      7.97639963    -12.49065132
  H     15.12467591      8.44700115     -8.46306706
  H     15.91009310     11.29360312    -12.43269667
  O     12.16225595     14.40686049    -11.51368589
  H     14.23135274     10.90643619    -11.35492318
  H     14.91156580     10.69783281    -13.45289969
  O     14.76333161      7.95960516    -10.23702036
  H     14.18392838     11.21491794     -9.84047701
  H     10.05034451      9.20706096    -15.51340133
  O     10.62344201     10.44715510    -12.75350469
  H     12.60457291     10.94935777     -7.19311591
  H      8.64381387      9.83184036    -15.68084089
  O     15.00630924     12.59039774     -8.81894686
  H     11.95459817      9.91277791     -8.12060415
  H     16.45849766     10.11949559     -8.22458075
  O     15.08753994     11.48327762    -12.91498861
  H     14.03180010     14.18640608    -11.32731493
  H     17.87074153     10.72901739     -8.04176645
  O      9.50577130      9.98747146    -15.30485892
  H     15.12727001     13.28789881    -11.93209775
  H     11.05950139     11.96956213     -9.62401665
  O     17.09632797     10.75638832     -8.59712370
  H     12.16617322     10.24507991    -10.19974946
  H     11.68227590     12.96980515     -8.63066641
  O     11.21800132     12.90859183     -9.47545106
  H     10.79355502     10.14249460    -10.89155542
  H     12.04539615      8.34306844    -16.20388035
  O     11.28341790      7.97093968    -15.74471058
  H     12.31317734     13.17760580    -12.85621150
  H     11.58020822      7.81780056    -14.83604904
          69
 Energy    -248.88143079246265     
  O     10.89369786      9.14304454    -13.07598686
  H      9.96416754      8.93421555    -13.04074671
  H     18.25225858      8.93757596    -14.87569213
  O     16.82153049      7.83433759    -14.58602414
  H     11.35387769      8.45214032    -12.56623119
  H     13.06485496     13.85398398    -14.91932828
  O     16.29015636     11.71000413     -9.70568340
  H     16.55554888      7.51448857    -15.45719685
  H     13.04938556     12.52910740    -14.12554907
  O     16.18550274     12.29969658    -14.41852767
  H     16.20136767      8.53718742    -14.33061999
  H     15.51896969     10.63925637    -14.07276997
  O     13.71130822      6.37459207    -15.62283388
  H     16.79503087     11.90671866    -10.51594868
  H     14.84770739      9.98552134    -12.84854450
  O     16.15194869      6.56795002    -12.26046530
  H     16.27461254     12.50926411     -9.18659502
  H     12.92059356      7.43555547    -11.09943747
  O     14.24152000     10.48876053    -11.19501165
  H     16.68491296     12.16838983    -15.23508209
  H     12.69976710      6.49588599    -12.28946484
  O     17.82237887     11.52761061    -16.55259696
  H     15.31617584     12.66287908    -14.63404141
  H     13.58673637      4.33206921    -13.24767871
  O     18.30923129      7.62220052    -10.90083459
  H     13.30177574      7.24353798    -15.50086083
  H     13.81223240      5.61239060    -14.08762909
  O     15.80675544      9.79253253    -17.62082869
  H     14.44038985      6.52020169    -16.23634313
  H     17.14570310     12.22051029    -12.84273901
  O     15.96435134      7.15516535    -17.16206816
  H     16.43752653      6.97173554    -13.09498301
  H     18.23229491     11.35928495    -12.14248511
  O     18.90553463      9.64904517    -14.93524872
  H     15.41732883      5.98634864    -12.49418993
  H     19.03975478      9.08721113    -11.73740464
  O     13.50846708     13.01407938    -14.83470892
  H     14.23373655      9.58764718    -10.84525682
  H     20.27037663     10.01662621    -11.70989860
  O     15.13217803      9.81284090    -13.75494968
  H     14.88040201     10.98339612    -10.66774868
  H     17.32189542      8.62417902     -9.52095431
  O     12.27730824      7.19701373    -11.77940584
  H     18.27985220     10.86919304    -15.99806561
  H     16.61650824      9.93514590     -9.10781618
  O     13.85804999      5.24391384    -13.18591845
  H     18.48937032     11.95600797    -17.08204990
  H     13.07395265     10.26024394    -16.39517437
  O     17.61250106     12.08522872    -12.00731151
  H     17.56267466      7.20617489    -11.36263757
  H     13.42601462     11.74998237    -16.29754175
  O     19.43291081      9.87319944    -12.14615231
  H     18.81028561      6.90809520    -10.51183512
  H     15.19509597      8.19906635     -9.64450668
  O     16.66988047      8.99020324     -8.91252323
  H     14.96679960     10.24667097    -17.45773967
  H     15.07573775      7.44410362    -10.98721579
  O     13.43070398     11.00163338    -16.90441738
  H     16.50239050     10.39776748    -17.34405876
  H     11.69266983     10.88602386    -12.93083651
  O     14.55640955      7.88063006    -10.29861025
  H     16.37839415      6.73912932    -17.91262246
  H     12.93994403     11.33987936    -12.17034875
  O     12.29253847     11.63348685    -12.82661179
  H     15.87853186      8.10251147    -17.37955141
  H     13.60811640      9.26518102    -14.63271667
  O     12.82389135      8.94640041    -15.10382649
  H     19.21295707      9.78061598    -14.03178585
  H     12.08236664      9.01790096    -14.49108062
          69
 Energy    -248.88115748568853     
  O     17.53755304      9.00434565    -13.20812211
  H     16.75925582      9.06345402    -13.77498992
  H     16.67568491      6.75201617    -16.91485993
  O     16.89823171      1.79837358    -12.98785642
  H     18.19626271      8.52439443    -13.72928085
  H     18.59166048      1.77553680    -12.72427870
  O     20.96566420      5.65668079    -13.68705979
  H     16.75151405      2.13492168    -13.88248177
  H     19.80948973      1.13357714    -12.01847097
  O     14.41632171      4.44766681    -16.32100321
  H     16.28412061      2.26486951    -12.40877752
  H     13.51968811      7.45205628     -9.53472073
  O     19.09081430      3.90049224    -16.80810308
  H     20.48360470      5.41703607    -12.88271366
  H     12.97546517      6.05930064     -9.89874867
  O     13.39606917      4.24362681     -9.43757132
  H     21.08251201      4.82243996    -14.15505231
  H     18.58784690      4.73960517    -11.06071688
  O     16.29365532      7.72977372    -11.14704888
  H     13.73426802      4.33985661    -16.97706035
  H     19.35076601      3.61981400    -11.85242212
  O     17.09145426      5.23009550    -10.19998761
  H     14.86620523      5.29272292    -16.51150700
  H     15.66160901      5.25459355    -13.64531752
  O     18.50318708      6.48529698    -17.39294730
  H     18.27008466      3.50433851    -16.48442076
  H     14.44133815      4.80234965    -14.49174717
  O     17.43913519      5.31380803    -13.78712946
  H     19.77268263      3.60743575    -16.19275755
  H     19.85327722      6.83226468    -14.45423513
  O     20.90387542      2.97912003    -14.78971941
  H     13.98114088      3.89266260    -10.12825490
  H     19.01138677      7.15932601    -15.73165644
  O     15.74560830      6.75835043    -16.65938504
  H     12.79804443      3.53833912     -9.20233948
  H     14.07214165      6.60355759    -12.98653432
  O     19.55085165      1.86390708    -12.57439225
  H     16.87323318      8.20963627    -11.75627029
  H     13.40448910      7.38187625    -11.81300871
  O     12.91413092      6.99419533    -10.13079989
  H     15.45615662      7.61889985    -11.61596958
  H     15.92837904      4.06083313    -10.98758906
  O     19.24129680      4.57285103    -11.75514678
  H     16.70631905      5.22129265     -9.31271880
  H     14.92773352      4.00550041    -12.17452115
  O     14.70776246      5.07489705    -13.60601756
  H     16.88865364      6.09700105    -10.58055100
  H     15.94272071      3.44686074    -15.84194518
  O     19.09868397      7.34132700    -14.78883031
  H     18.86634448      6.71391791    -18.24444574
  H     17.07843960      3.91672767    -14.90242216
  O     13.90230150      7.49129813    -12.63616564
  H     18.74052834      5.55513308    -17.22762742
  H     14.76645917      4.99241790     -8.27496146
  O     15.23135576      3.52225501    -11.39173649
  H     18.01362899      5.00634570    -13.07484396
  H     15.39246964      6.37325640     -8.00660905
  O     16.77593555      3.16865109    -15.44284218
  H     17.89315329      6.06496171    -14.18818695
  H     15.30577653      9.00001686     -8.30259322
  O     15.55578134      5.42430793     -7.92510530
  H     21.67072857      2.43803316    -14.96624897
  H     15.62015639      8.09817267     -9.51658563
  O     15.11574434      8.14810502     -8.68693440
  H     20.43847317      2.56170563    -14.04880612
  H     14.60833587      8.40594891    -14.00528192
  O     15.10070560      8.80467173    -14.74244044
  H     15.61217416      7.48451988    -16.03846547
  H     14.60827864      9.57853447    -15.00746614
          69
 Energy    -248.88103454130152     
  O     11.98683649     11.17012664    -14.53172996
  H     12.65939347     11.85496333    -14.61893016
  H     15.00113757      5.94679195    -14.87173174
  O     15.46152332      6.85833253    -13.31155965
  H     12.19985487     10.50517872    -15.20143121
  H     15.17883650     11.00371700    -17.47569141
  O     17.40672985     10.22363272    -11.66460539
  H     15.29167003      7.69405357    -13.77722950
  H     16.31363525     11.35672194    -16.50713553
  O     17.52441812     10.37929318    -15.55559519
  H     14.91374723      6.87017435    -12.51698339
  H     15.89356036      9.61103246    -15.00400706
  O     11.97400667      6.64944562    -15.51378396
  H     17.10164101      9.97932896    -10.77973157
  H     14.37131745      9.25801953    -15.16712270
  O     16.06357024      9.49912957     -9.37036007
  H     16.66079814     10.68394247    -12.07678561
  H     10.30778188     10.36742572    -12.00809796
  O     13.90413098      7.17850771    -11.03637596
  H     17.98590005      9.54439178    -15.69766906
  H     11.45143852     10.47218344    -13.04428192
  O     15.09894216     11.29581760    -12.77006460
  H     18.03415747     10.86286926    -14.88976139
  H     18.25102289      6.67328048    -11.35610046
  O     16.30720558      7.40982586    -17.25730773
  H     11.20596603      6.13495739    -15.74699007
  H     18.90239504      5.46967625    -10.65883524
  O     15.92702358      6.62736102     -9.14093881
  H     11.89657687      6.85110884    -14.56342981
  H     11.48604339      8.21719064    -12.68907222
  O     18.62924233      7.79650479    -15.53662138
  H     16.04312710      8.55297124     -9.18527163
  H     12.43752783      7.09714898    -12.23392992
  O     14.68548752      5.74630954    -15.76367374
  H     15.17362701      9.72846987     -9.66777197
  H     18.54885166     11.11308456    -12.74503690
  O     15.49464487     11.70199333    -16.89148655
  H     14.50427304      6.88477748    -10.34061813
  H     19.39842904     12.32118482    -13.17152652
  O     15.11671020      9.25384352    -14.55368562
  H     13.83636031      8.14138628    -10.95320250
  H     17.84239180      8.60184930    -12.45070141
  O     11.17204321     10.02737319    -12.22334279
  H     14.84871405     12.04220932    -13.32452740
  H     17.11429132      7.33246103    -12.98709487
  O     18.22107746      6.12916808    -10.55436116
  H     15.02941855     10.51978059    -13.35036926
  H     15.34712645      8.64642423    -17.98238035
  O     11.77685480      7.32156017    -12.90077134
  H     17.11906773      7.46076171    -16.74440917
  H     14.72867090      9.20423361    -19.28525579
  O     18.97445129     11.53595252    -13.50808858
  H     15.74066013      6.76838176    -16.80091942
  H     12.71552754     10.01378142    -11.14943256
  O     17.98959911      7.72399732    -12.82915441
  H     15.94825255      6.14637777     -8.31750099
  H     14.13941175     10.50566165    -11.44362031
  O     14.74244663      9.32298411    -18.33967065
  H     16.74723033      6.40848864     -9.61492131
  H     14.14956115     13.90371548    -15.06652840
  O     13.62478076      9.96295845    -10.82879797
  H     18.48268380      7.73435232    -14.57863759
  H     14.63526574     12.54407305    -15.61391763
  O     14.19293037     12.97395299    -14.86020019
  H     19.51068981      7.46945670    -15.69926676
  H     12.55035607      8.28898224    -16.11524182
  O     12.89254838      9.18128588    -16.25960085
  H     13.74251913      5.94680395    -15.74681242
  H     13.40203162      9.18714526    -17.08015119
          69
 Energy    -248.88086041667270     
  O     10.88679371      8.94497075    -13.06844900
  H      9.97153972      8.70883243    -12.94391147
  H     18.84933337     10.91814772    -14.58567747
  O     16.98335991      8.19740923    -14.35138818
  H     11.41673759      8.23945422    -12.65477507
  H     12.98653158     12.38820291    -13.19599413
  O     16.36602150     11.72986346    -10.47543259
  H     16.81719296      7.97055396    -15.27549657
  H     14.43605140     12.77393887    -13.58831299
  O     16.10112663     11.90949848    -13.19333374
  H     16.18782709      8.63865398    -14.00646981
  H     14.03494353      9.37066236    -14.00710183
  O     13.84063943      6.83000636    -16.01996742
  H     16.33780039     11.88634579    -11.43439866
  H     14.48517592      9.52288906    -12.51383399
  O     17.07232322      7.20625428     -8.76841709
  H     16.33511055     12.58577830    -10.05539567
  H     12.78996273      6.32887008    -12.67321103
  O     16.06007722      6.03304071    -12.70981505
  H     16.85190721     11.77888662    -13.78527099
  H     13.12189928      7.04064279    -11.35044134
  O     14.21136739      9.89336593    -10.72976599
  H     15.55900067     11.11243386    -13.30069822
  H     18.34333271      8.29693911    -13.09040427
  O     18.37789157      6.01161322    -11.06209923
  H     14.65171874      7.10822942    -16.45955310
  H     18.96541359      7.51197242    -11.91512436
  O     15.88635839     10.56167974    -16.92656960
  H     13.35476439      7.64229483    -15.81644070
  H     13.35193143      4.33039127    -14.17329187
  O     16.27676429      7.89527547    -17.03332058
  H     17.40453353      8.05024561     -9.12743461
  H     13.72049660      5.73787854    -14.70726611
  O     17.96622537     10.88125559    -14.98122555
  H     17.32630746      7.17686529     -7.85042459
  H     19.96838987      9.75613767    -13.05363606
  O     13.51453617     12.85787989    -13.86002926
  H     16.39319506      6.68935765    -13.33312598
  H     21.22086995     10.59171522    -13.36432747
  O     14.79847654      9.47064924    -13.42578327
  H     15.28750134      5.62584285    -13.12280702
  H     17.49998671     10.28397432    -10.11431658
  O     12.45235750      6.97582442    -12.04117210
  H     14.45328308      8.98504467    -10.50156925
  H     18.34056879      9.19062891    -10.82005964
  O     18.99658876      8.36037214    -12.38149751
  H     14.94597132     10.46989198    -10.48696211
  H     13.37129904     12.17807557    -15.42419987
  O     13.67581024      5.18580906    -13.90501412
  H     18.01379823      6.26681853    -10.20590670
  H     12.89391220     12.28399491    -16.89323419
  O     20.28349956     10.54028993    -13.53134411
  H     17.61210155      5.80766121    -11.61566763
  H     15.26382441      6.84006551    -11.24567815
  O     17.96450029      9.45205130     -9.96961077
  H     15.06229524     11.00564484    -16.69467711
  H     15.49705446      7.13992287     -9.75362973
  O     13.32562662     11.70208177    -16.27358375
  H     16.58366413     10.92614433    -16.36780573
  H     11.60190961     10.57518208    -12.35276204
  O     14.84165326      7.21317982    -10.45905182
  H     16.76968309      7.66517034    -17.81621365
  H     12.78574235     10.86897547    -11.42656554
  O     12.15138512     11.29379067    -12.01950816
  H     16.09531296      8.85188828    -17.08373467
  H     12.73976355     10.07116342    -15.61705006
  O     12.66106696      9.20009703    -15.20737592
  H     17.66753418      9.97484508    -14.83660710
  H     11.93058692      9.20573502    -14.57485443
          69
 Ord_Energy   -248.880844    
 O   -7.51729918      -1.46872699      -1.49367011    
 H   -6.91641045     -0.764395714      -1.19479251    
 H   -7.57351398      -1.38910246      -2.44253922    
 O   -9.41734123      -1.76737642       3.97899914    
 H   -9.15541553      -1.13773489       4.66473055    
 H   -10.0643101      -1.32187533       3.41780138    
 O   -4.97810078      -2.52084088       4.83924818    
 H   -4.58417320      -2.31418991       3.97993207    
 H   -5.47390461      -3.33477354       4.69523382    
 O   -5.10223627      -4.47222662       1.48642981    
 H   -4.66834354      -3.62327552       1.64941907    
 H   -5.46509027      -4.74132204       2.34081173    
 O   -9.87421703      -4.37978077      0.732023656    
 H   -10.1791496      -5.13670492      0.238146290    
 H   -8.93677044      -4.24847412      0.495057017    
 O   -5.67885637       4.04750299       4.60790539    
 H   -5.41659832       4.96213531       4.54689360    
 H   -6.65274715       4.03679085       4.63434219    
 O   -8.38065910       3.86771894       4.82836723    
 H   -8.53384304       3.50771356       5.71131086    
 H   -8.86658001       3.29417157       4.22180653    
 O   -10.0272064      -1.59557080       5.55547103E-02
 H   -10.0803947      -2.54051375      0.250085056    
 H   -9.22835636      -1.47065544     -0.468021005    
 O   -6.33997059      -4.94039917       4.02935648    
 H   -6.29569149      -5.73460054       4.55628967    
 H   -7.28147268      -4.79130268       3.83635378    
 O   -7.37076712       1.09438622       1.72790813    
 H   -7.36637020      0.130928606       1.84101713    
 H   -8.13942146       1.43142402       2.20276213    
 O   -5.09208441       1.75478029       3.10930181    
 H   -5.20029688       2.58824348       3.58402991    
 H   -5.91718245       1.59267080       2.62544680    
 O   -5.76896334       2.33842921       6.93130684    
 H   -5.58724594       2.98662686       6.24013233    
 H   -5.64620686       1.47421944       6.51297188    
 O   -8.49926090      0.302729815       5.54596376    
 H   -7.54250479      0.176432058       5.45018911    
 H   -8.62303162      0.946737945       6.25269508    
 O   -8.96562195      -4.45291424       3.46525288    
 H   -9.35987949      -4.52609825       2.58909726    
 H   -9.20644569      -3.57183552       3.78468227    
 O   -11.0706291     -0.294487923       2.18929338    
 H   -10.6897736     -0.688936770       1.38464868    
 H   -12.0184326     -0.340862364       2.09263825    
 O   -7.25497770      -1.62575257       2.16200757    
 H   -7.37849092      -2.33616424       1.52113259    
 H   -7.92274570      -1.74777985       2.84815335    
 O   -5.93225431      0.527793348     -0.565879524    
 H   -6.50519133      0.896983445      0.122102648    
 H   -5.04893923      0.528273582     -0.181817338    
 O   -4.45107174      -1.84618354       2.18438458    
 H   -5.41029215      -1.70662487       2.21250272    
 H   -4.06259537      -1.06605947       1.77569771    
 O   -8.44924736       2.47476578       7.34082127    
 H   -8.69322491       2.66706562       8.24170303    
 H   -7.47526264       2.44602394       7.31099463    
 O   -5.77009296       5.73762804E-02   5.29592705    
 H   -5.44284534      0.528257906       4.51983070    
 H   -5.48155403     -0.864884138       5.23316717    
 O   -7.34688997      -3.69602489      0.174692065    
 H   -6.49593925      -4.02205372      0.503883362    
 H   -7.21278620      -3.01826024     -0.499355912    
 O   -9.51336861       1.73814249       3.36509013    
 H   -10.1586132       1.16486073       2.93312669    
 H   -9.16894913       1.23981392       4.12246990    
 O   -3.58043838      0.625406861       1.11989355    
 H   -4.00846338       1.09644914       1.85565603    
 H   -2.69995737      0.982824624       1.03866148    
          69
 Energy    -248.88060754062218     
  O     11.79536136     14.71981457    -12.75169125
  H     11.56695201     13.79005284    -12.64973942
  H     17.56818898     13.56270194    -10.05820157
  O     14.64486868     15.39291619    -15.96320901
  H     11.81358020     14.88092014    -13.70362578
  H     17.47728869     12.13651693    -13.45208479
  O     14.71038007     12.02647772    -15.12754929
  H     15.25762600     15.42768441    -15.21746725
  H     17.26033265     13.55772489    -14.05426294
  O     12.05818710     12.24668805    -15.80882876
  H     15.06770063     14.82440589    -16.62109031
  H     13.48872976     15.08093645    -12.02329494
  O     14.04537449      9.05439486    -17.79868594
  H     15.09632223     11.16123431    -15.31545621
  H     14.47028721     13.92429873    -11.89607539
  O     15.76015286     13.32516234    -17.41925277
  H     15.07148602     12.63544557    -15.78319303
  H     18.84544122     11.62195336    -16.92417355
  O     16.81807299     11.17066949    -12.02377548
  H     11.89705420     13.19970530    -15.81620052
  H     17.95378218     12.05486130    -15.73606779
  O     11.99569094     15.02086854    -15.60713972
  H     12.98769918     12.13167080    -15.54913042
  H     15.64738661     15.11011237    -13.09512882
  O     16.73925354     15.09066455    -10.23677070
  H     13.33444589      9.09278321    -17.13231678
  H     17.06005299     15.68455157    -13.34884729
  O     18.42928151     16.31567412    -12.22855778
  H     13.85083886      8.31630624    -18.36990818
  H     11.90850713     10.35295753    -15.93314655
  O     15.39647009      9.04164546    -13.28201497
  H     16.55432379     12.78428664    -17.34851546
  H     12.29714786      9.20649889    -14.97757156
  O     18.09322739     12.74191146    -10.05972777
  H     15.08206078     12.80957024    -17.88339518
  H     11.62250872     11.92813557    -13.92477757
  O     17.79648322     12.75496152    -14.12472246
  H     15.91406133     11.52482631    -12.02386243
  H     11.87043081     10.78391607    -12.93204637
  O     14.40404729     14.88527931    -11.78581748
  H     17.27665156     11.58703697    -11.28365795
  H     15.46386750      9.41200401    -16.65967339
  O     17.94086381     11.65418968    -16.62367639
  H     11.52448057     15.71735919    -16.05681987
  H     16.74986785     10.22584324    -16.28067169
  O     16.35849889     15.15729910    -13.75083297
  H     12.94592082     15.19814857    -15.73299606
  H     13.64674085      9.07710927    -13.14005154
  O     12.15126292      9.41863233    -15.90790731
  H     15.85330050     15.10192932    -10.62352429
  H     12.40999731      8.31258613    -12.62024777
  O     11.65253121     11.72524785    -12.98129254
  H     17.28138584     15.65303855    -10.80312896
  H     13.77813259     10.88245783    -18.28652154
  O     16.03410338      9.68243215    -15.92771061
  H     19.03970930     17.04741923    -12.24383846
  H     12.92844678     12.01881320    -17.69765962
  O     12.67318857      9.07448418    -13.13059753
  H     18.96232868     15.50072684    -12.22588441
  H     19.17015694     13.43387994    -12.97003981
  O     13.62482189     11.83464073    -18.33629882
  H     15.97614560      9.62112838    -12.77271097
  H     19.25812611     13.42365297    -11.43656363
  O     19.61157549     13.85873413    -12.22316819
  H     15.69932631      9.10462704    -14.19790609
  H     13.39855863     12.05798773    -12.39383570
  O     14.34580012     12.23338853    -12.43161220
  H     18.33735645     12.57110533     -9.15400434
  H     14.55945021     12.22226290    -13.37831795
          69
 Energy    -248.88031230951651     
  O     14.93530885      8.94461694     -9.48393284
  H     14.57078658      9.04607804     -8.60892056
  H     13.01489857      6.62344903    -16.68951983
  O     15.40401659      5.37228957    -12.90616779
  H     15.40154159      9.77679213     -9.69291860
  H     18.70658180      5.86012772    -16.76339231
  O     15.74481355     12.26316958    -12.61261415
  H     15.53859298      4.91262563    -13.74940591
  H     18.41199580      6.24453330    -15.29492869
  O     17.52560603     11.49070575    -14.77634693
  H     15.62324447      6.30416440    -13.06074702
  H     14.64593692     10.62742924    -15.18470099
  O     10.78118109      7.95491516    -14.85310002
  H     16.40945997     12.10706578    -13.29192059
  H     15.45016357      9.64610910    -16.11206440
  O     17.51918815      7.73887531     -9.89865718
  H     14.91560530     11.92731248    -12.97780597
  H     16.86211844      8.48199543    -13.20264697
  O     12.83601420      6.55238463    -13.41451357
  H     16.74313437     11.21113242    -15.28002350
  H     15.94735140      8.03263150    -14.36793908
  O     13.55159235     10.88509970    -13.74397675
  H     17.96729871     12.15111328    -15.30501679
  H     17.97668776      4.51467184    -11.11581022
  O     12.63764453     10.16442704    -17.23611852
  H     11.33749658      7.39036946    -14.30309298
  H     16.87110429      5.24863102    -11.90730284
  O     15.75318938      4.42076876    -15.46073867
  H     10.98083444      7.72325921    -15.76906731
  H     18.24700461     10.10246676    -13.74343880
  O     15.88680351      7.91462751    -16.17399051
  H     16.59250251      7.96937652     -9.76094111
  H     18.69562597      9.64205998    -12.31720193
  O     13.68635619      6.26444260    -16.09605256
  H     17.54684107      6.91003404    -10.39066671
  H     19.00025891      7.57621792    -13.56013988
  O     18.00030260      6.08082552    -16.16219443
  H     13.01681436      7.34977520    -12.89440615
  H     18.69860516      6.19072709    -12.94371855
  O     15.20925688     10.57468107    -15.97249953
  H     13.50702686      5.91968123    -13.13102141
  H     19.70559242     10.04052298     -9.97293371
  O     16.01960817      8.05731310    -13.40484946
  H     13.56442928     10.17571941    -13.08529993
  H     18.48939298      9.11990049    -10.24821255
  O     17.72638290      5.36812647    -11.46165980
  H     12.65086605     10.93024791    -14.08567257
  H     11.28264753      7.52002500    -18.37581406
  O     18.48147916      9.33412744    -13.20798756
  H     13.53727903     10.39966486    -16.98187199
  H     12.08762111      8.52841225    -17.51921326
  O     19.05849009      6.62503669    -13.72539319
  H     12.06666268     10.48088085    -16.52389741
  H     16.11015274     11.59053660    -10.98796891
  O     18.93550640      9.94228215    -10.52581355
  H     15.00616661      4.90150359    -15.84223551
  H     17.27464265     10.88513566    -10.25485563
  O     11.73624077      7.62014337    -17.54356030
  H     16.54799868      4.87433204    -15.76807575
  H     10.18053088     11.08582915    -14.78748906
  O     16.34509860     11.12484133    -10.17168091
  H     15.10557888      7.34517885    -16.23274135
  H     10.88097680      9.70541946    -14.82542826
  O     11.02395865     10.66368464    -14.92545774
  H     16.66303407      7.35088153    -16.28549570
  H     14.04105386      8.79759478    -11.09176077
  O     13.79769893      8.74792845    -12.02366304
  H     13.35582839      6.37731690    -15.19386792
  H     14.61988759      8.54962027    -12.50328077
          69
 Energy    -248.88023957543004     
  O     16.63011408      9.92178902    -16.66827544
  H     16.65432346      9.27031462    -15.94966552
  H     16.46710431      5.39761825    -16.28403215
  O     14.93941858      5.22985761    -13.15597602
  H     15.90115838     10.51231712    -16.45201770
  H     17.85747200      4.86300435    -11.31034502
  O     18.69223739     13.05960217    -10.97824171
  H     15.17005473      5.20500130    -14.09680800
  H     17.45860914      6.33909663    -11.49336557
  O     19.57690490      8.22928237    -14.36415938
  H     15.77855166      5.26781970    -12.68372920
  H     17.73522376      7.97249366    -14.55156876
  O     14.09042916      7.00660064    -17.63161136
  H     18.69908815     12.73627236    -11.89013925
  H     16.47447532      7.15445782    -15.00970524
  O     17.30070800     10.12973471     -9.11062736
  H     17.77106396     12.98696650    -10.69911732
  H     13.91698782     10.38090973    -15.55463512
  O     15.23029591      8.77127563    -12.57351438
  H     19.65767463      8.57994927    -13.46693001
  H     13.73319991     11.83197448    -16.05828253
  O     18.35592115     11.57247777    -13.34291981
  H     19.60753960      8.98672787    -14.96706897
  H     17.17412294      8.61131937    -10.06572369
  O     19.01982139      5.56186848    -14.49398739
  H     14.96093001      7.27790035    -17.97615975
  H     16.41555167      8.23122578    -11.36105379
  O     13.04371467      7.15394605    -13.16618357
  H     13.57557705      6.71483947    -18.37908404
  H     13.50428348      8.17802905    -16.27779373
  O     18.13386812      5.49811250    -17.05671409
  H     18.22071619     10.42131056     -9.13281916
  H     13.12856063      8.20184310    -14.77713255
  O     15.66683223      5.59809828    -15.78090953
  H     16.79012862     10.85153642     -9.49746989
  H     19.59757197     11.84353380    -10.09816329
  O     17.54627941      5.49140342    -11.95897598
  H     14.39501699      8.29567702    -12.64638520
  H     20.73547621     11.32832926     -9.18354190
  O     16.77655598      8.00513847    -14.66982793
  H     15.76875642      8.50757227    -13.33837336
  H     19.71127365      9.87093576    -11.11949858
  O     14.33745652     11.25966414    -15.59262262
  H     17.39074164     11.54294779    -13.32525286
  H     18.60477097      8.85512111    -11.49819594
  O     17.15379232      7.96958381    -10.79102624
  H     18.66628469     10.79723708    -12.85360935
  H     15.22068644     12.83533537    -10.12888992
  O     13.26894233      8.76404233    -15.54758147
  H     18.52317141      5.45805449    -13.67525533
  H     15.75878116     12.09021111    -11.36819258
  O     19.97017884     11.04780969     -9.67725916
  H     19.41343070      6.44740968    -14.45224020
  H     17.25596200      7.06397484    -17.95641465
  O     19.34039734      9.37046774    -11.85644552
  H     13.67542164      6.41211176    -13.13277879
  H     16.72459264      8.52367729    -17.88442759
  O     15.96769708     12.33746695    -10.45266609
  H     12.25045687      6.85983957    -12.72717405
  H     15.11669225     11.54555827    -13.90220832
  O     16.61428242      7.67463273    -18.33625559
  H     18.51591845      5.48507593    -16.16050824
  H     15.39342726     10.50966094    -12.79539222
  O     15.53339481     11.43823656    -13.03903798
  H     18.66021749      4.90202354    -17.58306458
  H     19.04159514     11.06072504    -15.03493292
  O     19.26512140     10.54021820    -15.81896200
  H     15.03394629      5.98558492    -16.39866821
  H     18.43054754     10.43348214    -16.29275783
          69
 Energy    -248.88007109276265     
  O     -2.17794233      4.62598691      1.36282022
  H     -1.21543022      4.59824667      1.40764206
  H     -2.19586410     -2.02631842      2.45983688
  O     -2.87339891      2.66553594      3.29381725
  H     -2.48342335      4.12919518      2.13433701
  H      1.29566568      1.21286187      0.38546177
  O     -0.68137137     -0.42168339      4.78237878
  H     -2.45914253      2.57698387      4.15838521
  H      1.36837872      0.48515136      1.78368452
  O     -1.47606624     -3.24579264      1.35695538
  H     -2.36662346      2.09170083      2.69815231
  H     -3.97722544     -1.56790560      0.21622264
  O     -1.45341648     -1.09570467     -2.11718883
  H     -0.94339606      0.42370575      5.16644826
  H     -2.82069409     -2.58313138      0.19287824
  O     -4.96659546      1.81805506      1.58796228
  H     -1.40622094     -0.71447350      4.21084233
  H      1.62292906     -2.56510153      4.63902586
  O     -2.96947736      2.55024212     -0.30355005
  H     -0.78521727     -2.82712924      0.82236112
  H      0.21558625     -2.05883299      5.01900831
  O     -0.87481204      1.70333268     -1.91056286
  H     -1.03260369     -3.88053805      1.93270351
  H      0.27942288     -4.11673335      3.80108798
  O      0.45586482     -2.00438653     -0.22650316
  H     -1.67376198     -1.44527908     -2.97733976
  H      0.07108337     -5.61998638      3.49510217
  O     -1.63726669      0.90444954      1.50766375
  H     -2.18557026     -1.34343719     -1.52479971
  H      1.50922299     -4.00345236      1.99174039
  O     -5.03415617     -0.88069290      1.68019459
  H     -4.51924966      2.12343710      0.78829102
  H      1.67769146     -3.00236913      0.82932326
  O     -2.57607507     -1.29050078      2.96170845
  H     -4.43840052      2.16831831      2.31791985
  H     -1.20366201      2.67652815      6.41802447
  O      1.04633151      0.42038866      0.87372018
  H     -2.54271354      1.88070457      0.25524471
  H     -0.48199929      2.60564247      5.04957526
  O     -3.33482214     -1.98660808     -0.36766176
  H     -2.76225091      3.39869171      0.11652362
  H      1.30766289      2.19125832      3.84572592
  O      0.74702148     -2.85921672      4.91753981
  H     -1.04315333      0.75939902     -2.01292016
  H      0.78402147      3.47968089      3.16402373
  O      0.10914006     -4.75888131      3.08832057
  H     -1.67619445      2.07854241     -1.51829729
  H      2.86942091     -2.46791575      2.84235215
  O      2.14666588     -3.41792182      1.56404809
  H      0.71907460     -1.15608386      0.16317095
  H      4.07096482     -2.22954010      3.78820773
  O     -1.22757206      2.24823084      5.56665077
  H     -0.09388160     -1.78263001     -0.98742669
  H      0.86320229      0.09405174      3.94400795
  O      0.84781573      3.02540210      4.01191975
  H     -0.71933530      0.74893953      1.25873956
  H      2.31487993     -0.34245673      3.60783985
  O      3.16670663     -1.97413058      3.62773847
  H     -1.95960934      0.10100301      1.93446633
  H      1.17728511      5.17050025      1.36745195
  O      1.69108725      0.39095141      3.53676925
  H     -5.06502784      0.09151947      1.63579053
  H      0.90589911      3.81379205      0.68593609
  O      0.70163032      4.34788351      1.46850764
  H     -5.92845415     -1.17585438      1.82858442
  H      0.51423674      2.38570030     -1.18807780
  O      1.30361345      2.72269951     -0.72347143
  H     -3.49084567     -1.19029301      2.66865726
  H      1.97360875      2.86072331     -1.38762651
          69
 Energy    -248.87978579347163     
  O     14.67062582      4.67152867    -12.52541953
  H     15.34148716      3.99403531    -12.67497913
  H     14.75539017     14.00153088    -12.33409686
  O     17.19546534     10.13289390    -14.90513560
  H     14.87854495      5.09389556    -11.68004836
  H     14.86199633     11.72008562    -13.48812969
  O     18.71505483      8.03303491    -12.00634418
  H     17.37223131      9.19149844    -15.02009097
  H     15.55903587     10.67256728    -14.41301798
  O     16.12076620     10.75838531     -8.97036622
  H     17.84915985     10.43475719    -14.26296437
  H     16.05001982      8.50173961    -11.04498863
  O     12.12449102      9.88329992    -13.71088586
  H     19.18839168      7.22334920    -11.78017069
  H     16.48928949      9.10500954     -9.68747087
  O     16.86928742      2.98756663    -12.82926741
  H     18.02533468      8.14639049    -11.33518711
  H     14.86498108      9.48517549    -12.83148470
  O     12.29027099      7.27198919    -14.90086326
  H     16.36443477     11.13964686     -8.13111111
  H     15.02692922      7.96411506    -13.06882813
  O     15.18119366      5.98990059    -10.08209253
  H     16.62207083     11.23981940     -9.65526114
  H     12.20278876      6.37194677    -11.94098761
  O     13.77218688     11.71504609    -10.35631062
  H     12.96584876     10.30925709    -13.92642078
  H     12.83180422      5.16763300    -12.65332321
  O     18.66098408      4.72755303    -13.88164924
  H     12.13843525      9.02768396    -14.15539723
  H     20.51642268      5.20696205    -10.87699223
  O     17.36891436     12.02862872    -11.00137521
  H     17.49920592      3.57164652    -13.28925444
  H     18.97245518      5.11797440    -10.92051375
  O     15.06546833     13.10234616    -12.27251739
  H     17.02291525      2.10421275    -13.15227543
  H     14.13641464      6.92580090    -14.72117653
  O     14.72484017     10.89736524    -13.97344637
  H     11.71069760      6.98279767    -15.60084500
  H     14.89896214      5.93843357    -13.79001088
  O     16.62352717      8.35104620    -10.27361099
  H     12.10676453      6.70601214    -14.12907229
  H     19.99909315     10.82575734    -12.97113330
  O     14.96980650      8.63861175    -12.37988059
  H     15.78487732      6.74702614    -10.04785221
  H     19.03678622      9.70877157    -12.50701174
  O     12.06111354      5.75007873    -12.66820878
  H     14.29936242      6.38310784    -10.06571935
  H     17.95748426      7.56964201    -13.69435211
  O     19.74926095      5.52411278    -11.34569369
  H     14.41748424     11.26180310     -9.80150075
  H     16.76358261      7.08358456    -14.57935444
  O     15.00760524      6.70939607    -14.36647346
  H     13.03622148     11.11086142    -10.51003672
  H     17.25558196      3.74663240    -11.10568368
  O     19.08051312     10.63624201    -12.79502334
  H     19.17994817      4.97694743    -13.10704897
  H     16.70710153      4.79677944    -10.11489642
  O     17.70564503      7.31070323    -14.59187474
  H     18.38622758      5.55616169    -14.29472103
  H     10.66797452     10.34196613    -10.94104242
  O     17.50787335      4.32663077    -10.37564605
  H     17.96855595     11.60163428    -11.62467731
  H     11.72499065      9.99996590    -12.01736653
  O     11.56773428     10.04837433    -11.05633728
  H     16.69064428     12.47501376    -11.52388113
  H     12.33640072      8.35717798    -10.64045987
  O     12.94114860      7.61449910    -10.75014003
  H     14.53867559     12.66613327    -11.57670321
  H     13.63492677      7.95781481    -11.33441927
          69
 Energy    -248.87964905066303     
  O      1.21113166     -1.49607546      5.21709638
  H      0.27221454     -1.74085331      5.30860994
  H     -1.78117839      4.65748765      1.92347957
  O      2.01718972     -0.47850351     -2.65055907
  H      1.65061926     -1.80109045      6.00661885
  H     -2.21603528      0.24463334      3.83404998
  O     -1.44899670     -2.00634319      5.41599929
  H      1.26562497     -0.00562258     -2.26821858
  H     -2.96401555      1.29976219      4.63819516
  O     -0.06671896      0.50429138     -0.99469730
  H      1.78730440     -1.41401050     -2.59197450
  H      0.87960090      1.73842585      1.91943806
  O      1.32480171     -3.18089422     -1.92889873
  H     -1.96064145     -2.60166954      4.85705592
  H      0.29098144      1.91819023      3.35404515
  O      3.00512224     -2.69605800      0.14577065
  H     -1.88601239     -1.14477991      5.35500066
  H     -1.29950630      1.92580270     -0.93128739
  O     -3.88602240      2.60106001      3.69334447
  H      0.58274984      0.53259855     -0.27844010
  H     -1.96086794      3.01139037     -0.02640966
  O     -4.59051433     -2.07130521      2.03660492
  H     -0.49015128     -0.36237679     -0.94651392
  H     -1.09236593      0.80672571      2.09469342
  O      0.31367328      1.23844580      4.97363165
  H      1.57247993     -3.99011531     -2.36799427
  H     -2.43782547      0.37235976      1.42700706
  O      3.95887665     -0.14591205     -0.77121507
  H      1.92529931     -3.07946045     -1.16802044
  H     -0.30609553     -2.58487009     -1.30932477
  O     -5.51666087      0.67347728      2.27609208
  H      2.63002429     -2.51693224      1.01810406
  H     -0.98369916     -2.38238502      0.07715571
  O     -1.94802810      3.73087302      1.76474200
  H      3.48681176     -1.89818941     -0.10573234
  H      0.76589928     -2.15700505      2.23945784
  O     -2.40372868      0.51979239      4.74309510
  H     -4.49781463      2.00586831      3.24207328
  H      1.64853627     -1.72442099      3.42737056
  O      0.16041404      2.14483537      2.41951139
  H     -3.32582921      2.98795438      3.01046141
  H      2.69061786      0.43548430      0.47825339
  O     -2.07253795      2.50002268     -0.83790139
  H     -4.36959532     -2.05911716      1.09811673
  H      1.83032341     -0.25898693      1.56773919
  O     -1.74731458      0.09856456      2.04190770
  H     -4.93848571     -1.19705720      2.24823126
  H     -3.55742710     -3.04982987      3.04520036
  O     -1.06195085     -2.17815656     -0.86808658
  H      0.73890000      0.38270116      5.09985098
  H     -3.31425059     -4.42955477      3.70014061
  O      1.64973682     -1.83407905      2.46853000
  H     -0.63522107      1.07550281      5.07086077
  H     -1.52930380     -3.01932492      2.39459376
  O      1.90115497      0.53818043      1.02267017
  H      4.76997109      0.22408509     -1.10799589
  H     -1.24046452     -1.56181056      1.94866002
  O     -2.89882107     -3.59143169      3.51625436
  H      3.34411708     -0.21541188     -1.52368769
  H     -2.82726067     -2.04312790     -0.89532242
  O     -0.95150919     -2.48397085      1.83950679
  H     -4.98441807      0.78605376      1.46780662
  H     -4.21212905     -2.31696582     -1.52389363
  O     -3.78156167     -1.89645785     -0.78368113
  H     -6.41309294      0.91149194      2.05039642
  H     -3.29871854      1.38144343     -0.30106694
  O     -3.82922544      0.72801512      0.17870656
  H     -1.14319831      3.25590448      2.03534175
  H     -3.82961764     -0.10136387     -0.31352506
          69
 Energy    -248.87941441298875     
  O     -5.41792926      4.03400696      2.48312934
  H     -5.26503297      4.48877962      1.63328732
  H     -4.81157143      3.98535132     -3.00066555
  O     -2.84433486     -2.40579781      1.39097707
  H     -6.34663008      4.11678683      2.67977011
  H     -0.37561259     -2.05974057     -2.82072430
  O     -1.67765339      3.97968255     -2.63987580
  H     -3.13757238     -2.06421438      0.52679041
  H     -0.49367685     -1.74008816     -1.31103910
  O     -3.72427248      1.37511785     -0.93777585
  H     -3.36138681     -3.18682496      1.56830816
  H     -1.63379956      4.24722694      6.26387346
  O      1.56526166      4.62291418      0.73425573
  H     -1.30304127      3.09925512     -2.51388804
  H     -1.58226621      3.07056752      5.26377912
  O     -1.36461865      3.28616593      1.15526290
  H     -1.28612078      4.55416518     -1.96613451
  H     -2.65056720      7.80848587      1.37847251
  O     -1.23608794      1.36066258      5.07348616
  H     -3.77373926      1.55471597      0.01143662
  H     -2.70086177      6.40977732      2.03342142
  O     -3.43964480     -1.40771640     -1.05841192
  H     -4.04901040      2.16278043     -1.38994466
  H     -2.85254157      2.51234698      1.60141603
  O     -2.22269261     -0.09270030      2.86252975
  H      1.49302940      3.70887939      0.42346267
  H     -4.32787063      2.59246008      2.09567789
  O      0.44338226      0.01451274      2.02853321
  H      1.37059875      4.58529851      1.67777206
  H     -3.96342103      4.98209035      3.25894984
  O      1.46812699      1.61270421      4.09581540
  H     -1.35134329      4.07247544      0.59525391
  H     -2.67257363      5.00043917      4.10959360
  O     -4.32278407      3.84234583     -2.19459271
  H     -0.66039336      2.71928250      0.81053552
  H     -0.90598149      0.37761268     -2.12132747
  O     -0.79835453     -1.47517798     -2.19773824
  H     -1.66044926      0.79172990      4.41787710
  H     -1.95262600      1.33645648     -1.51029066
  O     -1.62254194      4.04099563      5.33282651
  H     -0.28990555      1.30789538      4.89287596
  H     -0.22706439      4.19250761      4.05042852
  O     -2.54470104      6.87865601      1.19406222
  H     -3.66981697     -0.46857491     -1.07392397
  H     -0.30545931      3.77068856      2.57551016
  O     -3.65140355      1.98593500      1.77435622
  H     -2.63343887     -1.49169431     -1.58197046
  H     -4.00902219      5.88260625      0.35879393
  O     -3.16589679      5.49342309      3.44398183
  H     -2.79926948      0.59780767      2.50337913
  H     -4.59650418      4.84372747     -0.64036699
  O     -1.05873516      1.29962298     -1.87948300
  H     -2.49606707     -0.92692473      2.46158357
  H      0.25766239      1.69935158     -0.69924426
  O      0.32022968      3.98871131      3.28261960
  H      0.92446968      0.44145022      2.74749382
  H      0.78218733      1.20045070      0.68031801
  O     -4.75516824      5.29360510      0.19873367
  H     -0.48810626      0.00195726      2.29481984
  H      0.21472194     -1.48010985      0.92348098
  O      0.80146289      1.94487969      0.06332258
  H      1.15554188      2.47786339      3.78104210
  H     -1.01581776     -2.38888999      0.76463957
  O     -0.17225546     -2.15917459      0.35541059
  H      2.33566305      1.75076047      4.46701841
  H     -1.27733342      6.10958386      0.07849895
  O     -0.78774668      5.48597065     -0.47268329
  H     -3.37842803      3.94071829     -2.41648184
  H      0.09451072      5.35572892     -0.09312558
          69
 Energy    -248.87933698232587     
  O     -5.72592673      1.38220034     -0.37298930
  H     -5.01067011      1.63155846     -0.97849201
  H     -3.10264187     -0.61278172      3.70748406
  O     -5.53127412      0.81450000     -4.23314422
  H     -5.59625921      1.84710191      0.46217469
  H      0.51154334      2.01878595      3.09018435
  O     -5.26972892      2.47492488      2.15876506
  H     -5.16523564     -0.06944781     -4.36511532
  H      1.67074991      1.19780985      2.49799448
  O     -0.53360609     -1.69755233      2.04330737
  H     -6.31890472      0.69192640     -3.68718012
  H     -1.48892335      2.92883070      0.09480777
  O     -2.35942009     -1.38754277     -0.06355089
  H     -5.90161942      2.94200690      2.69978520
  H     -0.35587258      3.97689878      0.18583466
  O     -4.27721413     -1.76829496     -4.13025943
  H     -4.44353902      2.98758284      2.19384542
  H      1.52880147      0.55138210      0.08338564
  O     -5.09898045     -1.25936396      0.31734527
  H     -1.07505358     -1.45963549      2.80524587
  H      1.41192002      2.06160521     -0.26839061
  O     -2.33141727     -0.48157100     -2.68689035
  H     -1.13746232     -1.73458203      1.28882411
  H      1.47904559      3.21640005      1.48076452
  O     -3.86421770      1.83555283     -2.32272726
  H     -2.26926331     -1.23692095     -1.01409669
  H      2.16674178      4.36260994      0.70023287
  O      1.83845204     -0.48584182      1.58961637
  H     -3.30772634     -1.43577310      0.11967062
  H     -5.56512573     -2.16048776     -2.75671279
  O     -0.12147284      1.08807789     -3.06942498
  H     -3.51050408     -1.39885150     -3.66044176
  H     -6.76996329     -1.42075647     -2.15251501
  O     -2.24112330     -0.75601442      4.14066100
  H     -3.93246527     -2.36321558     -4.79131086
  H     -1.34411897      1.46791814      2.23231822
  O      1.42911926      2.08550088      2.79001057
  H     -5.29862539     -0.33619554      0.10655563
  H     -1.59103858      0.92470409      3.65729775
  O     -1.28151104      3.86448451     -0.06749616
  H     -5.48302418     -1.77421437     -0.40595589
  H     -4.81371119     -0.73690663      2.08318353
  O      1.20120191      1.17244510     -0.58149053
  H     -2.90426386      0.26649206     -2.46388680
  H     -4.80338636      0.68042836      2.69647686
  O      1.45548398      3.72983828      0.65212711
  H     -1.47614587     -0.08793106     -2.91109333
  H     -1.84619622      0.32640343      0.30084754
  O     -6.19867374     -2.18916678     -2.02920488
  H     -3.19456252      2.48142334     -2.57313863
  H     -0.53468719      1.11434917      0.05655497
  O     -1.30180510      1.70630733      3.17196986
  H     -4.40986441      1.62344125     -3.09744875
  H     -8.41860950      0.63484574     -2.06134676
  O     -4.56008197     -0.23624125      2.86980507
  H      0.99562648     -0.94213713      1.76619834
  H     -6.97963384      0.77931764     -1.51669748
  O     -1.42130545      1.18149036      0.43713932
  H      2.52943756     -1.12843533      1.72536598
  H     -2.34847083      3.18406349      2.76421606
  O     -7.51471311      0.37555221     -2.22066659
  H      0.45028434      1.07630799     -2.28999905
  H     -2.43475669      4.07706536      1.51160578
  O     -2.91998642      3.81416166      2.30153218
  H     -0.55662988      1.94878578     -3.06555173
  H     -1.53218865      3.77743523     -1.83646121
  O     -1.67332115      3.55557917     -2.77206239
  H     -2.42232380     -1.15624904      4.98647657
  H     -1.60843306      4.37085538     -3.26322232
          69
 Energy    -248.87888978973012     
  O     -5.71699880      2.22212139      0.69643301
  H     -5.64384318      2.45166507      1.64124156
  H     -2.75870285      6.44345869     -1.53786650
  O     -1.05454747     -1.29811443     -2.10976909
  H     -6.55423935      1.78060138      0.58414235
  H      3.23506952      1.06929420     -2.07794568
  O     -1.33928417      3.23249205     -1.37622295
  H     -0.82632437     -0.41366030     -2.44786432
  H      2.11736758      0.36069500     -1.27774000
  O     -0.56520253     -1.44712462      4.50888325
  H     -1.28458077     -1.83030411     -2.86663557
  H     -3.30465752      0.65847319      3.94822367
  O      0.83469389      5.06644501      2.07029787
  H     -1.74185072      4.10857047     -1.36741636
  H     -2.76911915      2.06878027      3.59589365
  O     -1.94140002      2.82718687      2.21587407
  H     -1.96685143      2.63925145     -0.93643830
  H     -3.41330491      5.70823010      2.56840010
  O     -3.09433087     -0.97534606      3.18804304
  H     -0.43327742     -2.03180863      5.25027204
  H     -4.49344977      6.44568231      3.38958190
  O     -0.21909511      1.16315531     -2.91170451
  H     -0.54228214     -0.53948471      4.86121245
  H     -4.02737868      1.71143142      0.19051401
  O     -2.08278394     -0.91123539      0.47978035
  H      1.00228601      4.53109220      2.85421165
  H     -2.81170372      0.70691185      0.18792650
  O      0.33896962     -1.02601308      1.89234827
  H      1.08947737      4.52955078      1.30828892
  H     -5.03816835      3.92656891      3.24729381
  O     -0.66062536      1.13231786      5.38820075
  H     -1.89012932      3.77895218      2.07248271
  H     -4.74295595      2.49636122      3.75832807
  O     -2.63398133      5.69013832     -0.96684653
  H     -2.38952185      2.43812571      1.45140880
  H      0.31423535      3.29660323     -0.57892634
  O      2.38224093      1.20978726     -1.67546191
  H     -2.29190560     -1.27606153      3.63320020
  H      1.71731492      2.64919455     -0.69392805
  O     -3.22517303      1.56344624      4.28730272
  H     -2.91863613     -1.05532488      2.24339375
  H     -4.92003401      5.25375010      1.06273545
  O     -4.34364825      5.67534687      2.84697143
  H      0.70539708      1.22623418     -2.64275383
  H     -5.30001907      4.03244141      0.20557883
  O     -3.07966452      1.62300928      0.02813375
  H     -0.65631963      1.93260479     -2.52353032
  H      0.86193849      2.14596354      1.22710309
  O     -5.37643380      3.02316084      3.25207844
  H     -1.25533312     -0.96140239      0.97997558
  H     -0.36435204      2.02011460      2.15583503
  O      1.18483350      3.25011405     -0.15672475
  H     -1.85220096     -1.14246004     -0.42931079
  H      1.18442166     -1.21622861      0.24917296
  O     -4.97786198      4.93974873      0.15123693
  H      0.12797803     -1.32002058      2.78629744
  H      0.65042093     -1.34136246     -1.18904935
  O      0.53249607      1.68173323      2.00770565
  H      0.47215984     -0.06620932      1.94949840
  H      1.11133981      2.49959250      3.48055001
  O      1.44283134     -1.13492545     -0.67872834
  H     -0.10799345      1.88313061      5.15109074
  H      2.12046395      2.95226510      4.55883466
  O      1.23040583      3.09315404      4.24183682
  H     -1.57173264      1.37307080      5.16826468
  H     -1.97761506      5.71194372      0.80830851
  O     -1.81888575      5.60017885      1.75393777
  H     -3.51758468      5.41911945     -0.65721297
  H     -0.86052124      5.55453331      1.89276973
          69
 Energy    -248.87888464836360     
  O     18.60220888      6.06964926    -10.29826194
  H     18.36569405      6.87520614     -9.82781340
  H     12.78610278      5.07914133    -16.19275971
  O     17.03808501      9.00641794    -15.89300364
  H     17.95758743      5.39494782    -10.04012151
  H     15.98884471      7.45645811    -15.88630228
  O     12.91720109      7.96308297    -12.29034439
  H     17.52319477      9.38141355    -16.62296260
  H     15.87158597      6.24110736    -14.93935892
  O     11.17055652      4.67334033    -13.42493972
  H     17.68379902      8.84017816    -15.18192500
  H     11.23551377      5.45389271    -11.89705065
  O     14.93452746     10.26905635    -14.43488483
  H     12.39501324      7.27444384    -11.86078167
  H     10.47747637      6.07475612    -10.69732416
  O     17.49345521      9.64693290    -11.59780856
  H     13.85562964      7.74304854    -12.18818183
  H     16.26924453      8.27369786    -11.97708810
  O     18.72102511      8.56301154    -13.84276554
  H     11.84097657      3.99764794    -13.58527777
  H     15.50986093      7.40900970    -10.95600965
  O     13.83552891      5.34626142     -9.91956105
  H     11.11522951      5.19536828    -14.23460081
  H     20.16233976      5.45733834    -12.94473812
  O     13.30696902      2.89770689    -14.05042453
  H     14.19068765      9.70361229    -14.67115215
  H     19.13783416      6.00898731    -11.92386968
  O     17.65177705      8.48500571     -9.02244943
  H     15.68373987      9.93392065    -14.94296579
  H     14.21339152     10.39894254    -10.73858278
  O     11.28549079      6.22749512    -15.82699932
  H     16.82485544     10.34427419    -11.62624689
  H     13.20934120      9.26412732    -10.94383457
  O     13.61999828      4.59531523    -16.14795383
  H     17.61670990      9.37718720    -10.67859128
  H     14.56185163      6.85864249     -9.27150339
  O     15.42566637      6.70532481    -15.66323021
  H     19.02581328      7.69469441    -13.55426129
  H     14.51740881      8.42807758     -9.40506446
  O     11.34662184      5.95963159    -11.07155168
  H     18.41213691      9.02028196    -13.04822381
  H     12.95073046      8.08079623    -14.04870634
  O     15.65660389      7.53150646    -11.90250675
  H     12.91824873      5.49350155    -10.18047688
  H     13.89500531      7.61977088    -15.20753451
  O     19.35898014      5.96481254    -12.87299880
  H     14.23441469      4.85133799    -10.64911695
  H     15.25353853     12.31668112    -12.06253572
  O     13.66257084      9.77061576    -10.25633160
  H     13.49351595      3.45698483    -14.82593875
  H     15.14756655     11.00009936    -12.86573969
  O     15.06703894      7.67356477     -9.13947409
  H     13.22868636      2.00281390    -14.37092746
  H     17.61319013      5.57465862    -13.37804441
  O     13.09014219      8.12124967    -15.00830266
  H     17.92577613      8.75614561     -8.15013959
  H     16.30645334      6.25857193    -12.90147635
  O     15.32543886     11.36918920    -11.98138782
  H     16.72838729      8.18559372     -8.94733794
  H     15.84745924      4.51658410     -9.21426003
  O     16.65421927      5.55797844    -13.47851517
  H     11.85285954      6.97868803    -15.58325956
  H     16.22992189      3.85922212    -10.52532845
  O     16.61064426      4.20043206     -9.70411935
  H     10.63420612      6.56178860    -16.43803646
  H     15.63519144      4.38136795    -12.58389396
  O     15.04055948      3.85523270    -12.02948970
  H     14.31160360      5.26953939    -16.11816025
  H     14.42539059      3.42986133    -12.63716985
          69
 Energy    -248.87886509294330     
  O     17.50626523      8.69020933    -15.60689713
  H     16.55734376      8.66755564    -15.43215212
  H     14.86802559      6.92594751    -16.34859701
  O     20.82499874      6.23958126    -13.18976028
  H     17.63161172      8.19311628    -16.42353578
  H     17.31663080      2.35494978    -11.33846837
  O     14.61106527      3.66892709    -16.06534770
  H     20.48898648      5.68565919    -12.47109877
  H     18.18955540      1.13459818    -10.97832123
  O     18.76693623      5.06409598    -16.21249776
  H     21.02558799      5.61335960    -13.89425091
  H     11.91194108      6.83772843    -10.23021131
  O     13.98944814      4.64272641     -9.25448087
  H     14.75847602      4.56298605    -16.42452529
  H     13.19356425      5.99689913    -10.02152383
  O     16.64407425      7.91552784    -11.34608405
  H     13.88363757      3.29246517    -16.55292241
  H     18.79854175      4.92943583    -10.85392305
  O     19.25038655      2.20981649    -14.16922665
  H     19.65899447      4.75661081    -16.00865736
  H     19.17502053      3.55548806    -11.45551487
  O     17.37809489      5.62677919     -9.96047011
  H     18.33750843      5.19272827    -15.35338856
  H     14.88118749      4.11253366    -14.30237387
  O     17.66826886      6.91352957    -17.84894082
  H     14.53479284      4.07819689     -9.81607952
  H     16.08862220      4.78305096    -13.58642277
  O     17.71706721      5.39285256    -13.64928109
  H     14.58353277      5.01142211     -8.58811652
  H     19.50149089      7.53669329    -13.27638356
  O     21.07318018      4.02037106    -15.06543224
  H     17.38994009      8.08672319    -11.93883903
  H     18.39413421      8.32419727    -14.09330761
  O     15.08409610      6.18662591    -16.92952337
  H     15.89529529      7.64585913    -11.89461514
  H     13.75986025      6.98848061    -12.00722790
  O     18.16203391      1.91570494    -11.52543985
  H     18.52047979      2.22408017    -14.80648711
  H     14.57192956      6.10417096    -13.00133493
  O     12.84574232      6.81436528    -10.42135949
  H     18.86325775      2.00504975    -13.31249244
  H     15.56417945      3.73434097    -11.86662348
  O     19.37564184      4.49712860    -11.50048348
  H     17.01021095      5.73066354     -9.07536672
  H     16.42162411      4.22878557    -10.66350045
  O     15.17138761      4.48597556    -13.46214663
  H     17.15884308      6.43289523    -10.45051851
  H     17.77323165      3.43194564    -16.34420886
  O     18.64265864      7.98017746    -13.22194311
  H     18.11570328      6.97113541    -18.68863546
  H     16.36544767      2.86857399    -16.10492607
  O     14.36836927      7.01921409    -12.75603322
  H     18.13047049      6.23335320    -17.32717655
  H     16.00895567      6.29317335     -6.71894735
  O     15.92160018      3.47190786    -11.00559503
  H     18.30562771      4.93525063    -13.03579412
  H     15.55110446      6.92601687     -8.05659011
  O     17.29762648      2.62533599    -16.10647591
  H     17.91701541      6.33316314    -13.54590566
  H     15.62240225      8.31841317     -9.81629423
  O     15.85762811      6.09993837     -7.63976336
  H     21.87769661      3.57224926    -15.31146053
  H     14.17258797      7.90582766     -9.50399485
  O     14.98593617      8.22411429     -9.09361626
  H     20.48201752      3.34258024    -14.68857357
  H     14.53011439      7.93579582    -14.26752829
  O     14.68829663      8.36241699    -15.12549103
  H     15.91802404      6.42168813    -17.35488912
  H     14.07347386      9.08969276    -15.18707870
          69
 Energy    -248.87874783779148     
  O     12.10480467      9.96678342    -14.80453930
  H     12.65491580     10.75729111    -14.83947918
  H     19.57645119      7.56708228    -14.05061155
  O     16.20522816      5.89947704    -13.08837930
  H     12.58119476      9.29756082    -15.31601762
  H     16.63052091     10.82426602    -16.16286107
  O     16.95808082     10.26422160    -10.86067699
  H     17.02825874      5.78902979    -12.59666310
  H     15.71385801     10.23233284    -17.24662727
  O     17.82600637     10.07826886    -15.00087099
  H     15.51682092      6.11348441    -12.44307890
  H     15.99391383      7.53812490    -13.87364327
  O     12.85233097      5.43893720    -15.54125768
  H     16.30394553     10.44914119    -11.55128837
  H     15.03330147      8.24748083    -14.87878822
  O     15.19098441      9.64943814     -8.80726026
  H     16.46162957     10.26656525    -10.03103501
  H     11.40680990      9.23815320    -13.40487138
  O     14.42190632      6.77143013    -11.14048768
  H     17.13198368      9.45243992    -14.73625522
  H     10.14016263      8.95785769    -12.55947021
  O     14.97202844     10.53060447    -12.74451605
  H     18.29942853     10.31768444    -14.19605088
  H     17.49723571      6.90890015    -10.38768885
  O     17.13656203      6.39434041    -17.46140852
  H     12.14644802      4.86332513    -15.82190556
  H     16.97635143      8.36444973    -10.39281081
  O     19.12887924      7.72180452    -15.80888995
  H     12.66537984      5.68076929    -14.61524018
  H     13.03330111      6.25640593    -12.32690623
  O     15.66113288      5.04236287    -15.66535522
  H     14.41039317      9.56392749     -9.37198368
  H     11.84500395      7.05891576    -12.88998747
  O     19.70316181      7.63429590    -13.09300891
  H     15.59038618      8.77324894     -8.78480089
  H     19.77616287     11.03172166    -12.18371072
  O     15.83786094     11.00707835    -16.68892671
  H     13.96863821      7.62384317    -11.07641799
  H     18.42103185     10.37401206    -11.84141761
  O     15.75937278      8.39124707    -14.25829254
  H     15.24290789      6.89259254    -10.64252815
  H     19.02113848      6.46776422    -12.07651719
  O     11.07265486      8.76904001    -12.61845563
  H     15.21158949      9.73439470    -13.24367674
  H     19.14680197      5.13441158    -11.29496119
  O     16.83814682      7.49500828     -9.99475561
  H     14.66904188     11.17575121    -13.39289377
  H     14.17834345      8.16449707    -16.90510555
  O     12.35990159      6.25239147    -13.01799579
  H     17.60411130      5.75511066    -17.99352566
  H     13.36493408      7.14117573    -16.03523681
  O     19.14237145     10.38919020    -12.49296003
  H     16.61174760      5.88749757    -16.81511818
  H     13.81022768      9.81223186    -11.54612227
  O     18.53685757      5.83189765    -11.51664653
  H     18.48203964      7.25106193    -16.34379495
  H     12.41464115      9.17734198    -11.36588247
  O     13.66164606      8.05839403    -16.09700469
  H     18.76915007      8.61182053    -15.68994368
  H     13.95931391     12.98705688    -15.09700146
  O     13.26301105      9.30851186    -10.92541850
  H     14.69707624      5.04920772    -15.67759877
  H     14.66607960     11.70744913    -15.60007916
  O     14.05387825     12.05390863    -14.92642667
  H     15.91030747      5.22434676    -14.74810440
  H     15.44267501      8.53966932    -19.11916215
  O     15.49871326      8.50961637    -18.16687398
  H     19.60477499      8.56595993    -12.86784679
  H     16.12492248      7.80062911    -17.94690735
          69
 Energy    -248.87866646391865     
  O      9.76783613     11.53746875    -11.02222818
  H     10.20439539     12.27075784    -10.57284319
  H     16.56924135     10.75625698    -11.87617682
  O     13.29101131      8.70286251    -16.94152185
  H      9.80413292     11.72717990    -11.96856335
  H     15.59107583      6.93393158    -12.54205919
  O     11.45052675      9.37011538    -10.97899584
  H     13.39692751      9.63108737    -17.18899603
  H     14.80087598      8.16668711    -13.03754064
  O     14.11315602      9.07810526    -14.36727913
  H     12.33883357      8.55565678    -16.87408385
  H     12.98300440     14.17008654    -12.04727091
  O     13.32768219     12.08340518     -8.41523713
  H     10.72513129     10.00286143    -10.87649765
  H     12.47863770     14.45414140    -10.63203377
  O     13.55691902     11.54403836    -17.17530291
  H     12.25160778      9.91549106    -11.02437589
  H     14.06790856      7.74710275    -10.65304396
  O     11.38707591      8.93429739    -13.69184025
  H     13.91634824      8.80263720    -15.27564982
  H     12.65494236      8.19807434    -10.22385308
  O     13.98974636      9.41910574     -7.72615329
  H     14.38388915     10.00415893    -14.41277235
  H     16.49331478     12.88521693    -12.24158439
  O     13.61565305     11.09739505    -11.03866220
  H     14.16265677     12.55433701     -8.28783004
  H     17.75213926     12.63343796    -13.10615352
  O     15.80324817     13.84581468    -11.00212232
  H     13.45816712     11.17958487     -8.09808889
  H     10.33550666     11.72357967    -14.79709860
  O     12.77086826     12.68283081    -13.13528550
  H     14.04987396     11.68531554    -16.35079374
  H     10.64894109     10.66560304    -13.73424442
  O     16.25277441     10.13483432    -11.20821998
  H     13.93965310     12.12893814    -17.82502843
  H     16.24470936     12.22177794     -8.27116906
  O     15.20820079      7.75904881    -12.25394126
  H     12.32953408      9.00414048    -13.89655341
  H     16.43670169     13.58514239     -7.55823233
  O     13.17140672     14.69533711    -11.25658574
  H     11.31621423      8.92300743    -12.72770131
  H     15.57801581     11.97903847    -14.20196907
  O     13.49222781      7.84660931     -9.88715564
  H     13.82943536      8.83399399     -8.48746795
  H     14.04202853     12.18608488    -14.20906008
  O     16.88583369     12.28835564    -12.90727081
  H     13.77061406      8.91460206     -6.94698472
  H     11.64346108     11.57084584    -16.81341678
  O     10.34566673     11.57770448    -13.84025693
  H     13.52575449     11.53811007    -10.18458239
  H     10.55676340     10.50177491    -16.61949599
  O     15.92313572     13.14095737     -8.22721777
  H     14.52042161     10.76612924    -11.08535973
  H     15.74879163     10.05198311     -8.12582886
  O     14.77655467     11.78255832    -14.70029309
  H     14.91787078     14.22771004    -11.09214780
  H     16.54473386     10.33866937     -9.41472809
  O     10.71669754     11.45296536    -16.57389863
  H     15.92188853     13.66809057    -10.06303279
  H     10.71800075     13.98695229     -8.79357980
  O     16.52047336     10.52247934     -8.46464033
  H     11.88609148     12.39462457    -13.39408357
  H     11.89704727     13.01262563     -8.99923670
  O     11.21327406     13.52171395     -9.46449767
  H     13.04135287     12.14367357    -12.37555143
  H     10.71992056      8.62608205    -15.33302777
  O     10.51532121      8.58580256    -16.28266817
  H     16.04764849      9.28917732    -11.62686712
  H      9.76855037      8.00004794    -16.37695691
          69
 Energy    -248.87819402590594     
  O     15.48589983     11.01298737    -13.47181720
  H     14.67084912     11.47054071    -13.70763142
  H     16.45045029      5.38810975    -15.41499546
  O     15.85048236      6.22275794    -16.87693932
  H     15.60205452     11.02486318    -12.51283714
  H     13.56115134      7.94411282    -10.14534751
  O     12.70514462      6.72472661    -12.85689143
  H     15.91913426      7.14533693    -17.14657167
  H     13.35983190      6.82294199    -11.18946120
  O     14.79660968      4.67170996     -9.39722878
  H     14.91197444      5.99799283    -16.87423213
  H     15.46078129      7.96815867    -13.95398583
  O     13.16816466      5.22460441    -16.47156310
  H     11.83248465      7.06835107    -13.07871236
  H     14.77428141      9.29953148    -13.63878200
  O     13.01765480     11.68259613    -14.71669752
  H     13.34931639      7.35481792    -13.21909522
  H     16.77956717     10.35635681    -14.69697259
  O     16.10010022      9.02177807    -17.53814570
  H     14.39798954      5.51732635     -9.66570884
  H     17.49687678      8.99992974    -14.72107801
  O     17.45751643      5.36476650    -10.21464700
  H     14.43957884      4.46219114     -8.53797029
  H      9.49312559      7.89628316    -13.84044814
  O     13.65298287      9.47220426    -16.27316935
  H     12.91175248      4.47583135    -17.00576663
  H     10.77107652      7.88795326    -14.71510135
  O     14.92031763      3.11367031    -11.79166684
  H     13.36950484      4.87425939    -15.58769670
  H     12.15255219     10.77235326    -13.26543025
  O     17.67537377      3.60054818    -12.47658226
  H     12.64906770     12.41674046    -15.20150862
  H     11.30851583      9.52361153    -12.95303849
  O     16.51008044      5.01470573    -14.52271592
  H     13.19336694     10.97938377    -15.36379785
  H     13.37785042      5.21820539    -13.49933900
  O     13.80752633      7.03102462    -10.35788443
  H     16.60468240      9.29442793    -18.29949288
  H     14.09927936      3.87404593    -13.18845983
  O     14.59377913      8.39072341    -13.91357219
  H     16.59219346      9.32343453    -16.75221291
  H     12.06566439      6.75922041    -16.33542991
  O     17.32797671      9.78938316    -15.25473958
  H     17.64262529      4.77344503    -10.95436827
  H     12.21167769      8.29189934    -16.40488867
  O     10.43480217      8.04150198    -13.81374508
  H     16.63066214      5.04860706     -9.82746236
  H     14.12399241     10.13101973    -10.32365895
  O     11.84621635     10.21198362    -12.54395637
  H     13.92953158      8.99546009    -15.47410971
  H     12.74168291      9.90945446    -10.98510782
  O     13.82728428      4.46311395    -13.90723446
  H     14.40520159      9.41245115    -16.87488932
  H     17.05054561      7.61556307    -12.66340491
  O     11.57754392      7.58494123    -16.22712571
  H     14.80472361      3.56820468    -10.94776188
  H     17.10164479      6.61210955    -13.86118577
  O     13.27635778      9.68952286    -10.20698403
  H     15.87061480      3.11518159    -11.95920430
  H     16.26242862      9.59264925    -10.79276619
  O     17.23570161      7.53483926    -13.60898770
  H     18.38587682      3.03020799    -12.75940939
  H     16.56732177     10.94790630    -10.11909410
  O     15.99783083     10.52762779    -10.75905110
  H     17.36694399      4.07287643    -13.26789874
  H     16.96888837      7.03933167    -10.61452118
  O     16.46341058      7.80574696    -10.92422842
  H     15.59937589      4.82302132    -14.25875426
  H     15.53329353      7.57159413    -10.80042034
          69
 Energy    -248.87806050588966     
  O     -1.17412914      3.68573992      2.51584562
  H     -0.50843457      3.00787592      2.34370466
  H     -0.65421162      8.38860540      0.88626405
  O     -2.86667791      5.84657646     -0.54217957
  H     -1.93607125      3.49211263      1.95172421
  H      1.52432701      2.34675151      1.06091079
  O      4.49153598      6.86736797      1.24927431
  H     -2.02307198      5.88481950     -1.01725629
  H      0.19698033      1.60278342      0.99391807
  O      1.93861340      7.31287052      2.31545382
  H     -2.78723884      6.47961347      0.18183157
  H     -0.45930481      3.01195612     -3.02749714
  O     -0.32484803      5.86071309     -1.57966059
  H      5.31881135      7.33356615      1.16594287
  H     -0.00676291      4.18463418     -2.14084835
  O      2.25492496      3.66098818     -0.43185367
  H      4.15361441      6.72376785      0.34625933
  H      0.87933323      8.40761847     -0.96456757
  O      0.53998518      5.30421600      0.93663997
  H      1.84432497      6.93937918      3.20152140
  H      1.31282509      8.91763445     -2.36240414
  O     -2.28005492      7.62884450      1.59827114
  H      2.86031747      7.21113274      2.04443721
  H     -2.63152740      1.26350481     -3.00764156
  O     -1.04555164      1.62970851     -0.38707017
  H     -0.05527891      5.71591242     -0.65683796
  H     -2.24080475      0.76795085     -1.60982508
  O     -1.25732531      6.18095459      3.67015489
  H      0.13761106      6.65510821     -1.87013810
  H      2.98990711      3.73014437      3.05671198
  O     -3.09922663      3.30266774      0.57589629
  H      1.67875002      4.23094098      0.10561375
  H      1.74642407      2.85061536      3.23688338
  O      0.21748838      8.69424796      0.61006362
  H      1.72033959      3.36298283     -1.17786698
  H     -4.41952721      3.58818280     -2.20225022
  O      0.85732440      1.93521110      1.62011186
  H     -0.05663713      4.84086656      1.53565630
  H     -3.67531807      4.92458900     -2.02854267
  O      0.16625788      3.25003714     -2.33179249
  H      0.99307653      5.99774783      1.43177852
  H     -2.68416244      3.37129134     -3.60480692
  O      1.24637727      8.13315598     -1.82542074
  H     -1.91552187      7.13549877      2.35432430
  H     -2.16502840      2.88777775     -4.97905830
  O     -2.93246752      0.70224214     -2.28194149
  H     -2.90579443      8.25141215      1.96163992
  H      1.68433555      5.05418314      4.35040264
  O      2.23844967      3.56657937      3.64755941
  H     -0.58041071      2.15661100     -1.05259431
  H      1.70152887      5.97968402      5.58862250
  O     -3.90617105      4.25185256     -2.68046451
  H     -1.75563842      2.19334919     -0.04892996
  H      4.37967546      4.98742498      1.61645062
  O     -2.03615698      2.78833978     -4.03937419
  H     -1.35654654      5.25217757      3.41414576
  H      3.69368265      3.82885942      0.87296359
  O      1.42210597      5.93385993      4.67839158
  H     -0.40501990      6.22217674      4.11760970
  H     -5.79661238      1.59969309     -1.08415101
  O      4.13622720      4.05762245      1.69933218
  H     -3.84507323      2.86943956      0.14416194
  H     -4.32443747      1.49568985     -1.55335042
  O     -4.97748343      2.08425116     -1.13374456
  H     -3.03787680      4.19255747      0.19882285
  H      2.99340622      5.42340451     -1.12279380
  O      3.35134723      6.31728263     -1.13795944
  H      0.83742952      8.36381016      1.27562654
  H      2.64703399      6.90570047     -1.43760900
          69
 Energy    -248.87802762506158     
  O     15.54412098     11.26365941    -15.27629426
  H     15.02443507     10.65928480    -14.73144595
  H     16.21518970      4.05971677    -16.15475424
  O     13.67259324      5.68472473    -15.93548279
  H     15.56080695     10.91269038    -16.17453282
  H     20.13961306      6.26116081    -15.21093823
  O     18.68375133      7.34130993    -11.98375489
  H     14.19155596      4.93805710    -16.25713796
  H     19.69558782      5.88027778    -16.65320693
  O     19.19493506      6.40843534    -18.45827206
  H     13.88411894      6.41938122    -16.52709236
  H     18.74254349      8.15433815    -17.96289794
  O     16.56683406      5.75316220    -18.57828037
  H     19.47261600      7.30381167    -12.53506411
  H     17.86622274      8.42372413    -16.73193526
  O     14.62452107      9.37881319    -10.48674201
  H     18.15471253      8.06483753    -12.36128827
  H     17.06811312      6.64299347    -15.30731998
  O     14.27389771      6.65430575    -13.44090633
  H     19.64435627      6.05757416    -19.22232422
  H     17.06990793      8.08219729    -14.67682705
  O     17.22858272      9.22016769    -13.22868951
  H     18.26266184      6.13200195    -18.53122519
  H     14.66668870      5.75690722    -10.14953333
  O     17.29290074      4.79337175    -15.01507155
  H     16.23614365      4.97283471    -18.11613585
  H     15.23785864      4.63404698     -9.24856318
  O     13.40619517      6.78204175    -10.79257419
  H     15.96630772      6.46833867    -18.33281230
  H     21.64846730      7.68997272    -13.84821756
  O     19.92853428      9.85534785    -15.36333564
  H     14.48829012     10.01557185     -9.78991848
  H     20.44366869      8.43929256    -14.45486487
  O     15.59001839      3.74655012    -16.83374460
  H     15.44378108      8.90037248    -10.26863766
  H     17.42613867      6.06070970    -12.25866732
  O     19.78702996      5.54490342    -15.75307232
  H     13.99903747      6.26600614    -14.28408732
  H     16.30962715      5.23374269    -11.57277803
  O     18.33443583      8.86833254    -17.45841194
  H     15.11326621      6.25180163    -13.18799477
  H     16.44021162      6.95472992     -9.72788284
  O     16.93430350      7.58081581    -15.48938393
  H     17.59349777     10.06823213    -13.50705566
  H     17.58625430      7.71686565    -10.41425061
  O     15.48406623      5.29370718     -9.89055841
  H     16.26766578      9.32065658    -13.19029031
  H     16.05719552     10.88134054    -18.70815106
  O     20.70894336      7.62016844    -14.00121025
  H     18.23312058      4.93606695    -15.20606335
  H     16.88033602      9.87817376    -17.86863196
  O     16.69340424      5.45132228    -12.43043293
  H     17.13962990      4.86430596    -14.06332819
  H     14.40285730      9.54786428    -12.35413216
  O     16.80967902      7.83801825     -9.85537358
  H     13.51684968      6.68178926    -11.74960669
  H     14.33002590      8.47857919    -13.46959081
  O     16.01136915     10.30594723    -17.94854274
  H     13.64147921      7.69825959    -10.60389478
  H     17.13883629     11.62633294    -14.68677286
  O     14.48806434      9.42124900    -13.30876962
  H     19.49277894      9.59080884    -16.18428860
  H     18.09907652     12.55573552    -13.90622036
  O     18.02841953     11.68731961    -14.29295128
  H     19.39463135     10.57683564    -15.01039524
  H     15.05316156      8.63864487    -17.71707296
  O     14.92162301      7.74649408    -17.38045349
  H     15.58944383      2.79431167    -16.79045339
  H     15.53630231      7.66585267    -16.63307323
          69
 Energy    -248.87798555041883     
  O     12.43371542      4.47492845    -12.77719094
  H     13.29547337      4.27501236    -13.16593592
  H     16.51668938      8.28900466    -10.31193793
  O     16.60921637     10.60531890    -14.24606216
  H     12.59880459      4.69919099    -11.85448408
  H     15.28386554      7.77251952    -11.92975522
  O     18.65700833      8.26293755    -12.59130896
  H     16.78641851      9.74840280    -14.65445861
  H     13.73397898      7.83128990    -11.86690025
  O     16.23760537      9.99615547     -9.89178459
  H     15.66466207     10.64269184    -14.04793544
  H      9.88754799      5.31112957    -14.39931714
  O     11.65663251      9.96092733    -14.77618576
  H     18.15923115      8.16229601    -13.41768147
  H     11.25422122      5.34968153    -13.67722840
  O     17.53972425      3.11030113    -14.48292054
  H     18.59508071      9.18983754    -12.33145311
  H     20.93422641      5.99567321    -12.20807164
  O     12.23773191      7.54152286    -15.80422148
  H     15.33599487     10.29920319    -10.04959958
  H     19.62444777      6.77829650    -12.44654128
  O     15.78191877      4.89963301    -10.99768125
  H     16.79968021     10.43333732    -10.54496410
  H     14.86569308      5.76171626    -14.62945214
  O     18.82742346      5.62431202    -15.08962360
  H     11.14345358     10.47012687    -15.39737326
  H     14.56364228      7.14012979    -14.03200742
  O     13.51006521     10.67722079    -10.54347418
  H     11.88409578      9.12309637    -15.22075029
  H     18.53073407     11.73232510    -11.99208005
  O     13.94766842     10.46670738    -13.27450790
  H     17.82519018      3.23875219    -13.55939126
  H     17.50243813     10.90261270    -12.79876196
  O     16.68386101      7.47233429    -10.80594657
  H     17.82313669      2.23743010    -14.74105269
  H     17.84731944      7.15660403    -15.16009736
  O     14.49009757      7.91670541    -12.46027273
  H     11.65272762      6.92013616    -15.35228242
  H     16.35831843      7.51334257    -15.01401235
  O     10.60448881      5.89190520    -14.15978872
  H     13.13650656      7.22518674    -15.63969774
  H     17.43242544      4.05522223    -11.46201731
  O     20.01964377      5.89077116    -12.45880682
  H     14.90105092      4.92888809    -10.60761289
  H     18.83637297      4.46883404    -11.98231512
  O     14.72795796      6.68592172    -14.87366946
  H     16.15606181      5.78343079    -10.86016087
  H     10.94161956      8.93755974    -13.29179318
  O     18.00341747     10.93850146    -11.96306628
  H     18.36129766      4.78058526    -15.04951162
  H     10.57352156      7.45385070    -13.11919239
  O     17.24685161      7.88931393    -14.95545562
  H     19.36648015      5.65167774    -14.29028467
  H     15.84146648      3.74435397    -14.04349604
  O     18.21317404      3.73289916    -11.93030999
  H     13.05896262     11.47472196    -10.27633756
  H     15.37244101      4.47354054    -12.76111037
  O     10.70515923      8.27705151    -12.63037832
  H     13.63070626     10.73430200    -11.50588294
  H     12.67412446      5.00663373     -9.31321455
  O     15.09479141      4.21228099    -13.65132841
  H     13.16473778     10.40334320    -13.83703917
  H     12.84422966      6.27524443    -10.17456051
  O     13.08570007      5.33677728    -10.10873422
  H     14.19515316      9.55670105    -13.04255959
  H     12.75867473      8.87410905    -10.36072183
  O     12.44320419      7.98836257    -10.57306720
  H     17.42898350      7.65534231    -11.39243506
  H     11.73801664      8.08789421    -11.23534832
          69
 Energy    -248.87783185571999     
  O     10.20832699     11.47641103    -11.64299487
  H     10.85390805     11.71258645    -10.95359466
  H     10.08971647     10.24354941    -18.24922389
  O     14.78899346     10.72584445    -12.71217066
  H      9.34517963     11.54392042    -11.24299579
  H     14.58379164     13.97081437    -14.22884559
  O     17.55348378     12.89250050    -14.05082835
  H     14.40737688     10.06577970    -12.11904768
  H     14.93617838     15.22295154    -15.07166726
  O     15.68177640      7.29528367    -12.42067750
  H     15.70042443     10.88185191    -12.43554598
  H     18.38559932     11.27692129    -17.02700269
  O     11.24907381     12.04823388    -14.19229737
  H     17.68305542     12.34833420    -14.83764110
  H     17.73506335     10.37504705    -15.95490607
  O     15.00054180     12.11482516    -16.61182310
  H     16.84398992     13.50458020    -14.27725402
  H     13.69833632     13.88204353    -11.52215014
  O     14.06036426     10.29528478     -8.89622671
  H     15.57242989      7.17159984    -13.37087630
  H     13.77245287     15.13238821    -10.61139455
  O     13.54002956     13.10439623    -13.11515735
  H     16.54183649      7.71987532    -12.31066370
  H     18.05567256      8.81353663    -14.17931346
  O     14.29826232      9.79268889    -15.23223514
  H     10.77815150     11.97009153    -13.35185730
  H     17.12321307      8.24220267    -15.26204781
  O     18.16254455      8.73410492    -12.29624227
  H     11.34054434     11.13971166    -14.51497209
  H     15.32736333     11.62337142     -9.42395907
  O     12.05706690     12.11671817     -9.76643920
  H     15.90929664     11.79387497    -16.69206328
  H     15.26646681     13.04179770    -10.01141269
  O     10.80742830     10.07592217    -17.64432561
  H     15.06049227     12.91517016    -16.07334363
  H     12.52268279      9.46542324    -15.17344390
  O     15.21479403     14.33250094    -14.87430027
  H     14.09697803      9.77647594     -8.09693179
  H     11.19353459      9.48383501    -15.97188462
  O     17.66858226     11.23914628    -16.39917121
  H     13.97134044      9.66657373     -9.63433377
  H     15.00380252      8.18317848    -15.33518586
  O     13.82326237     14.18011782    -10.60539140
  H     14.01412276     12.27946916    -12.92458613
  H     15.02240943      6.73741736    -15.88350095
  O     17.84822126      8.86344076    -15.12041655
  H     12.69678158     12.84073010    -13.50693513
  H     11.83918849     12.47485297    -16.03187172
  O     15.87509531     12.32477109     -9.79934571
  H     14.48691292     10.54842732    -15.80133356
  H     13.09916627     12.32564825    -16.92505612
  O     11.56132534      9.39992362    -15.08106649
  H     14.50415673     10.07652407    -14.32870806
  H     10.90935668      9.71414066    -12.04933954
  O     15.46920339      7.33020258    -15.28488502
  H     17.93316170      9.65347954    -12.07445656
  H     11.35954555      8.93057304    -13.29403574
  O     12.13744213     12.40038039    -16.94676212
  H     18.93699446      8.51360617    -11.78518190
  H     16.96650913     11.72301565    -11.07819890
  O     11.36548714      8.91156308    -12.32743097
  H     12.59293082     12.89797283     -9.94843000
  H     17.52089493     11.93278802    -12.54773587
  O     17.37464405     11.28613482    -11.84061368
  H     12.66526494     11.46613853     -9.39473060
  H     12.90714686      8.67290415    -11.49841988
  O     13.77922643      8.72666588    -11.07793205
  H     11.26300871     10.92667950    -17.52784417
  H     14.38736604      8.10445929    -11.50374249
          69
 Energy    -248.87778586305620     
  O     13.32644407     11.95427173    -17.05532452
  H     13.90963688     11.45707435    -17.64293674
  H     19.41883391      8.86106282    -12.42390557
  O     18.10268962      6.44502185    -14.03007743
  H     13.85301405     12.17799407    -16.27793233
  H     15.89912406     10.93435553    -15.71440658
  O     18.78527722      8.87105053    -10.60360696
  H     18.52269887      5.61841183    -14.25290159
  H     16.04567017     10.26815237    -17.10835045
  O     18.56418770     11.15232528    -14.54335529
  H     17.84748533      6.38726212    -13.09137909
  H     14.47768223      8.10007057    -12.54846534
  O     14.53510877      9.29465541     -9.50580424
  H     18.02917448      9.46527283    -10.74745902
  H     15.45788220      8.55678419    -13.64936428
  O     13.38786915      6.59417919    -12.36234421
  H     19.24171423      9.18504245     -9.82757648
  H     11.87863342     10.97730669    -16.97236939
  O     13.22114426     10.87168699    -12.93814902
  H     17.99648565     10.85232416    -15.26368257
  H     10.41068852     10.71850974    -17.39228882
  O     13.02067116      8.29454719    -17.76325495
  H     18.98178699     10.36165756    -14.17119953
  H     17.97474734      7.23015332    -11.01974099
  O     14.92792217      6.49210071    -10.11880709
  H     15.27236337      9.75824967     -9.92363695
  H     16.64038199      6.45589616    -10.94110369
  O     15.98634568      7.83732702    -15.18522618
  H     14.69976164      8.35254139     -9.63277033
  H     11.12575660      8.44461123    -12.78988244
  O     13.32637341      6.98348276    -15.19033598
  H     13.37013936      6.46043234    -13.31743006
  H     11.39803977      8.85925366    -11.32562334
  O     19.54403038      8.84903211    -13.38020088
  H     12.55413813      7.03026356    -12.12220108
  H     17.67212733     12.10872801    -13.45504962
  O     16.45555072     10.33879993    -16.23686365
  H     12.80817030     10.88218721    -12.06655500
  H     17.47134888     13.44076453    -12.68959547
  O     15.04615395      8.83104081    -12.81951792
  H     13.89607585     10.17430856    -12.90434413
  H     16.09443552      9.78995908    -11.76229610
  O     11.15762237     10.32248949    -16.95216328
  H     12.27858844      8.87674153    -17.55581343
  H     16.71372218     11.20725648    -11.64991418
  O     17.49168208      6.48099603    -11.39217367
  H     13.09890667      7.68502478    -17.02056740
  H     15.08852984      9.99026817    -19.47694577
  O     11.17524542      8.10531121    -11.88501470
  H     14.35581542      6.40433059    -10.90059965
  H     14.28671667      9.37856806    -18.30270365
  O     17.06306274     12.59822167    -12.86919367
  H     14.67381934      5.79657970     -9.51642433
  H     13.00033599      9.97273293    -10.00719648
  O     16.57545389     10.38492522    -11.16473755
  H     16.26612122      8.65954889    -15.61090731
  H     11.75173675     10.82189056     -9.67290519
  O     14.91393736     10.08354889    -18.54454351
  H     16.76611699      7.34405950    -14.89920239
  H     15.62722805     12.44213521    -14.11375124
  O     12.18275248     10.34850524    -10.37934932
  H     14.25169547      7.26775975    -15.24239675
  H     14.23504433     11.78855992    -14.10187452
  O     14.91934137     12.13523844    -14.69301317
  H     12.79102994      7.74940692    -14.93260835
  H     11.35055183      9.55254372    -15.28728058
  O     11.65639304      9.15618833    -14.46272402
  H     19.14835008      8.02411184    -13.68460727
  H     12.15985674      9.83809892    -13.99597139
          69
 Energy    -248.87777326277742     
  O     -6.13863751      1.96853439     -2.14190116
  H     -5.60267964      2.76964748     -2.20326066
  H     -5.81284054     -1.91852029      1.91904647
  O     -1.91555326      3.94269268     -2.69426847
  H     -5.76815273      1.32840089     -2.76153167
  H     -2.32798776      1.15299549      3.22612410
  O     -5.96561083      0.85839901      0.31419880
  H     -1.13028517      3.88469093     -2.13679106
  H     -1.59826812      2.05916878      2.20094595
  O     -2.83001466     -1.72398083      0.08098054
  H     -2.02327926      3.05980436     -3.07471871
  H     -1.19173712      3.17424853      0.20189136
  O      0.44903308      0.37441929     -1.13242465
  H     -6.03109230      1.54643455      0.98972924
  H     -2.43875133      2.25855748      0.24831387
  O     -2.41919442      1.26233065     -3.26508038
  H     -6.20723586      1.24831279     -0.53957782
  H      2.51755153     -0.28768819      1.44946629
  O     -3.05422926     -2.05122502     -2.67223443
  H     -3.56308860     -1.72102093      0.71039897
  H      1.83634890      0.17696973      2.74742443
  O     -0.67419752     -0.95704081     -3.33903101
  H     -2.01318756     -1.52773246      0.56276678
  H      0.23421859      1.69153844      3.39218170
  O      0.21886069      3.19829397     -0.93456539
  H      0.03562779      0.02397998     -0.33038659
  H      1.31566809      2.13312317      4.40192922
  O     -0.58051760     -0.67220209      1.25801411
  H      0.11734232     -0.13497705     -1.88101089
  H     -3.97746027      0.52482627     -3.77398062
  O      3.04379647      0.60223459     -0.18033407
  H     -2.69032555      1.20024628     -2.33394278
  H     -5.02227653     -0.05851435     -4.75193100
  O     -5.09863044     -1.33287331      1.68043240
  H     -1.73369684      0.59765856     -3.40169294
  H     -4.38004248     -0.02891094      2.94262511
  O     -1.45198970      1.41414737      2.90956782
  H     -3.04924749     -2.06230299     -1.70359137
  H     -4.65496110      1.47133364      3.14730814
  O     -1.97151020      2.95883022      0.72858517
  H     -3.79113816     -1.49543324     -2.94688553
  H     -3.03595390      0.03240917     -0.41593221
  O      1.99732391     -0.60254428      2.19903904
  H     -1.49193572     -1.43891362     -3.11797268
  H     -4.20519698      1.03891813     -0.40498279
  O      1.19085951      1.81854398      3.51001237
  H     -0.24441586     -1.44680844     -4.03475494
  H     -3.47000278      4.00054263      0.81388498
  O     -4.81799675      0.03920530     -3.82428442
  H      0.90555812      3.34204780     -0.26645708
  H     -4.52984859      4.41242806     -0.22047326
  O     -4.06265202      0.75422159      3.40630164
  H      0.24963594      2.25153623     -1.12881272
  H     -3.59812794      4.26390761     -2.30324469
  O     -3.27528718      0.94017561     -0.64361657
  H     -0.95040875      0.01609958      1.82743334
  H     -4.83299495      5.14057264     -2.59402174
  O     -4.37758062      4.32563593      0.72754335
  H      0.31001994     -0.84843057      1.59465631
  H     -5.32920276      3.39337172      1.80551080
  O     -4.54920253      4.36114647     -2.12191967
  H      3.70627763      0.44376323     -0.84781922
  H     -6.46706043      3.27871047      2.84874240
  O     -5.83572753      2.76521478      2.35257943
  H      2.17921571      0.50126764     -0.61225163
  H      1.81984286      2.72686869      1.92159283
  O      2.12222074      3.03070646      1.05731252
  H     -5.48781399     -0.61503501      1.14975977
  H      2.59774838      2.28209116      0.67578716
          69
 Energy    -248.87766624215135     
  O     -2.80315456     -5.06781825      3.37052343
  H     -2.10022992     -5.71718295      3.18177363
  H     -4.44281944     -6.81832816     -2.75239671
  O      2.11931651     -3.86294524     -4.04916141
  H     -2.76825662     -4.89300478      4.30660975
  H      4.58024417     -6.28295878      0.13362979
  O      0.48896962     -8.06233324     -0.98235852
  H      2.44566805     -3.74258920     -3.13916944
  H      3.58057559     -6.79577948     -0.92865754
  O     -6.20587587     -6.91565268     -2.10931391
  H      2.54527069     -3.20169431     -4.58749997
  H     -4.41847433     -9.75997551      0.16116905
  O      1.87223962     -6.69816913     -4.13331146
  H      0.62355447     -7.33893520     -0.35101381
  H     -4.03598433    -11.24324850      0.30089013
  O     -2.69428863     -6.29555530     -0.26168968
  H      1.35514789     -8.25004156     -1.35833416
  H     -3.49533707     -2.98669009     -0.12348275
  O     -0.48493519     -4.17457423     -3.00086510
  H     -6.21745136     -6.10177194     -1.57338713
  H     -4.27093316     -1.71993100     -0.55102948
  O     -6.08016952     -4.76447781     -0.45528932
  H     -7.01625921     -6.92437762     -2.61174509
  H     -4.29500710     -5.83705598      2.34992526
  O      3.11023812     -8.03919665     -2.16460888
  H      2.00855834     -5.74601001     -4.21167155
  H     -4.10307714     -6.26710227      0.89294850
  O     -5.66261442     -8.51065796      0.21616409
  H      0.92199162     -6.82900911     -4.00957094
  H      0.76194389     -5.17079726      0.40758873
  O     -1.62707463     -8.66638278      0.72702584
  H     -2.98022842     -6.42017383     -1.17486279
  H      2.04411387     -6.01880255      0.60922164
  O     -3.52473820     -6.56789616     -2.90719469
  H     -2.31785133     -7.12627861      0.05824894
  H     -0.61928367     -3.53371680      0.15104311
  O      3.73070623     -6.10527358     -0.26315951
  H     -0.59713171     -5.13471443     -3.06457183
  H     -0.09512129     -3.80621313     -1.28089774
  O     -3.66738036    -10.37796781      0.14677227
  H      0.32175338     -3.95928060     -3.48355235
  H      1.98156934     -3.48743415     -0.95994076
  O     -4.16034104     -2.64756401     -0.74482334
  H     -5.77103680     -5.16342690      0.36980482
  H      3.20916489     -4.42114411     -1.03101383
  O     -4.77304195     -6.18486940      1.59023348
  H     -5.51948267     -3.99455290     -0.60297159
  H     -0.10902646     -6.48585458      2.17434936
  O      1.09719691     -5.99472024      0.78977371
  H      3.55530612     -8.79921239     -2.52957118
  H     -1.17951994     -7.58088893      2.17093429
  O      0.18744141     -3.64151649     -0.36847113
  H      2.71683795     -7.55602479     -2.91522866
  H     -2.35177345     -4.69993734      0.40687239
  O      2.81058533     -3.64086990     -1.43357784
  H     -5.90102302     -8.06989038     -0.60825265
  H     -2.45047290     -4.06095985      1.80487199
  O     -0.86070095     -6.82175360      2.67856356
  H     -5.48619242     -7.80490009      0.85100445
  H     -1.74897874     -6.97840290     -3.22963663
  O     -2.28397193     -3.85185913      0.87830497
  H     -0.89717042     -8.73941797      0.09944346
  H     -0.46971703     -7.36910472     -2.42145428
  O     -0.78337570     -6.93573828     -3.22711304
  H     -2.28520301     -9.34665145      0.52281421
  H     -2.31452600     -3.78817082     -3.17877140
  O     -3.27867720     -3.86023443     -3.18564481
  H     -3.51958812     -5.61464760     -3.09621001
  H     -3.59586159     -3.37082329     -2.41759095
          69
 Energy    -248.87750820439484     
  O     16.16596361     10.96329171    -17.19563349
  H     15.50523589     11.60450248    -16.88227304
  H     14.64006017     12.53653736    -15.17164583
  O     15.43221389     10.01511852    -10.86487278
  H     16.07849926     10.91358751    -18.14401324
  H     10.89784147     12.03755448    -16.30713989
  O     13.63113839     16.08900233    -13.50300075
  H     16.18582732     10.46707964    -11.28057644
  H     11.83802040     11.38788187    -15.26509326
  O     16.39568342      8.93576335    -15.24823686
  H     14.95997233     10.70091706    -10.38379539
  H     17.92643591     14.34366397    -13.04484161
  O     16.90054748      7.59098776    -10.88474576
  H     14.25782307     15.85661847    -14.21242869
  H     16.91025794     14.35955421    -11.88336805
  O     19.13285317      7.60078325    -12.45339999
  H     13.43025784     17.01506392    -13.60527189
  H     12.18813478     12.61100840    -12.39014717
  O     14.93362938     12.19180092    -13.49334236
  H     15.67355560      8.97875559    -14.60544374
  H     12.91213375     12.00657631    -11.14286620
  O     14.46919808      8.74093817    -13.22991761
  H     16.21325766      9.56227567    -15.95796896
  H     17.69852358     11.72791959    -16.33126510
  O     18.72518042      9.86256217    -14.07348738
  H     16.28952406      6.99737058    -11.33873565
  H     18.69411062     11.37833835    -15.20783393
  O     18.07898231     14.65052406    -14.90048949
  H     16.40050392      8.39825318    -10.70891921
  H     17.03031304      7.21160132    -14.84448030
  O     12.15991553     10.10714571    -14.12827887
  H     19.86629810      7.22614241    -11.97309880
  H     18.04922517      6.71301155    -13.80208564
  O     14.40423472     12.71380197    -16.09838761
  H     18.38106933      7.63205791    -11.83502050
  H     14.16056080     12.81409762     -8.95805284
  O     11.69561939     12.18602264    -15.80702431
  H     15.73923036     11.80970203    -13.12047762
  H     14.52948186     13.20588958    -10.40461865
  O     17.79712513     14.06678817    -12.12829799
  H     14.16436405     11.84841541    -13.02011737
  H     15.00507784     13.67141877    -12.41720002
  O     12.52158021     11.78863230    -11.99475405
  H     14.70869995      9.20481594    -12.41650970
  H     14.51169135     15.09755817    -12.15001693
  O     18.38614011     12.10188259    -15.76803636
  H     14.58145956      7.79883124    -13.04796348
  H     17.60807081     12.29246183    -12.15276767
  O     17.31590151      6.42454869    -14.35966904
  H     17.92660440      9.52915181    -14.51212946
  H     17.88654001     10.91039679    -12.85401545
  O     14.22118815     12.47250725     -9.84670915
  H     19.04538756      9.13635979    -13.52455522
  H     12.31917477     14.69675748    -13.55825318
  O     14.98897227     14.36642304    -11.74088642
  H     18.81307981     15.15880702    -15.23674165
  H     11.68672603     13.51275346    -14.34211705
  O     17.29366357     11.38286219    -12.25757894
  H     18.20567739     13.73891259    -15.21870759
  H     14.83802470      5.21440591    -12.68240183
  O     11.72706004     13.93940031    -13.47800579
  H     12.90663218      9.51435992    -13.98231438
  H     15.95537095      6.08977628    -13.30328304
  O     15.22223491      6.08619036    -12.66159307
  H     12.09077476     10.60637656    -13.30027394
  H     16.29382300     15.12376695    -15.24521268
  O     15.35608114     15.27593783    -15.41613169
  H     13.45032198     12.57983448    -16.16092990
  H     15.01901575     14.45832012    -15.80488673
          69
 Energy    -248.87742816597330     
  O     -3.72178648      1.12446243      3.71422261
  H     -3.29196159      0.26573906      3.60968545
  H     -2.29718465      2.31309661     -0.43540097
  O      0.83501813      2.79829237      1.29518332
  H     -4.65259405      1.01144590      3.95716642
  H     -6.69599735      3.65981332     -0.95169724
  O     -2.27707756     -1.11213679      3.00242165
  H      0.86115767      1.86749321      1.03984361
  H     -7.29386663      5.07988829     -0.84309159
  O     -5.18327912     -1.32340982     -1.88961160
  H      0.05305984      3.18345935      0.87708455
  H      1.48339135     -0.57131231      0.43508931
  O     -3.50544729     -2.84235948     -0.45239819
  H     -2.13540029     -0.99798681      2.05274394
  H     -0.03784587     -0.35928692      0.59851923
  O     -4.74624386      1.48341747      1.14328389
  H     -1.44655300     -0.83535138      3.41668000
  H     -4.33248216      5.80762542      3.79149562
  O     -6.41335875      3.44944214      2.16458489
  H     -5.83125513     -0.97667312     -1.25977646
  H     -3.58255424      4.57065218      3.24788290
  O     -2.27487665      3.38252934      3.33060885
  H     -4.88919056     -0.56626509     -2.40865582
  H     -1.89693160      3.53939166      1.49967199
  O     -4.31472824      1.16286426     -2.99731179
  H     -3.42419121     -3.71146170     -0.83543644
  H     -2.42006158      4.34232692      0.29674592
  O     -6.75733477     -0.05103821      0.02842444
  H     -4.11563768     -2.33749881     -1.02076884
  H     -4.11147602      5.40584705      1.19816497
  O     -7.13956675     -1.33791754      2.49483175
  H     -4.32894334      1.22274050      1.97364039
  H     -4.83457734      5.04083856     -0.10329343
  O     -2.81720241      1.55824944     -0.73985386
  H     -5.32310466      2.22373532      1.37435980
  H      1.09142949      3.28673384      4.45426697
  O     -6.66664161      4.48647883     -0.43826063
  H     -5.77960362      4.04988513      2.58056164
  H      0.64464602      2.87950129      3.02863070
  O      0.83295295     -0.03015282      0.87609967
  H     -6.66334059      3.85771228      1.32475077
  H      0.21605664      0.90345156      3.93692254
  O     -4.35002802      5.14961896      3.10130241
  H     -1.38115095      3.26264022      3.67270019
  H      0.51858512     -0.07075758      2.79157581
  O     -1.72564333      3.72290541      0.56510080
  H     -2.77024314      2.56999349      3.52077900
  H     -6.65240928      1.84728403      3.36959794
  O     -3.97392568      5.29562739      0.24871153
  H     -3.87344571      1.44084799     -3.79570465
  H     -6.78761305      0.30457761      3.43943775
  O      0.39796260      2.84566520      3.97115721
  H     -3.70565973      1.34405519     -2.26116023
  H     -3.86485698     -2.05760415      2.62264959
  O      0.15631679     -0.02538460      3.68545045
  H     -7.11642093     -0.54164803      0.77596348
  H     -4.33572540     -2.61344985      1.27106954
  O     -6.45671496      1.07632701      3.91592940
  H     -6.01002077      0.44556374      0.39721105
  H     -2.25736122     -1.55110397     -0.06601185
  O     -4.64688086     -2.37196454      2.15128108
  H     -6.25402285     -1.73475344      2.40491126
  H     -2.09528809     -0.00248579     -0.16437508
  O     -1.72259919     -0.80354899      0.23017720
  H     -7.69827356     -2.00366983      2.88707541
  H     -5.95276556      1.85527212     -2.28451571
  O     -6.71517199      2.12922215     -1.76092039
  H     -3.56966807      1.51532721     -0.12698313
  H     -6.93849017      1.37324800     -1.20206736
          69
 Ord_Energy   -248.877350    
 O    1.84752297      -1.69655621      0.919408500    
 H    1.91609740      -1.19412923       9.79671702E-02
 H    1.91082680      -1.06359744       1.64568424    
 O   0.211132661       1.88587344       1.28078616    
 H  -0.477203906       1.23628736       1.06586969    
 H  -0.241504088       2.59115076       1.75784063    
 O   -2.50627899       1.44280791       4.19135618    
 H   -2.31266737       1.91736710       5.01397038    
 H   -1.87515700      0.711611867       4.13823652    
 O   -5.17014599     -0.899424613     -0.723415613    
 H   -4.98607874      -1.32661319      0.132393807    
 H   -5.99427652      -1.26253939      -1.03696704    
 O   0.246135414      0.602220416       6.56717348    
 H   0.994150341       1.05051959       6.15520573    
 H  -0.102093898       1.32988198E-02   5.88436222    
 O   -1.51818037       2.74753571       6.38076115    
 H  -0.949656844       1.99891317       6.62144899    
 H  -0.931553006       3.39269471       5.97312927    
 O   -1.46965241       3.58649921       2.70095634    
 H   -1.93601167       3.73441553       1.86399543    
 H   -1.90742850       2.85130906       3.15378904    
 O    1.68554044      0.292190522       2.92339230    
 H    2.00524330      0.850800037       3.64087629    
 H    1.23795867      0.889346421       2.30231762    
 O  -0.660187125     -0.641831994       4.17131567    
 H   -1.07971632      -1.33215237       3.64287543    
 H   0.160393894     -0.399592489       3.72062016    
 O  -0.887450039      -1.53268981      -1.41449320    
 H  -0.748619556      -2.30819392     -0.857383966    
 H   -8.05293024E-03  -1.17617178      -1.60044110    
 O   -1.80244911      0.120720237      0.712954879    
 H   -1.60220146     -0.338754952     -0.113182008    
 H   -2.64966655      0.572105527      0.618450224    
 O   -2.99831295       8.11356958E-03  -2.35865784    
 H   -3.76592255     -0.337510198      -1.88807821    
 H   -2.29078126     -0.637181997      -2.22229934    
 O    2.15294409       2.15997553       5.02048349    
 H    2.95751309       2.52683330       5.38042164    
 H    1.54951954       2.90552282       4.87475014    
 O   0.325804800       4.26363659       4.64291906    
 H  -0.306126744       4.10165119       3.92128634    
 H   0.419702977       5.21092081       4.70951414    
 O   -1.95306635       2.54442167      -2.27898908    
 H   -2.36158919       1.66262686      -2.31695151    
 H   -2.21402931       2.99563932      -3.07840848    
 O   0.712232113       2.05304456      -1.44530737    
 H  -0.159707457       2.26390600      -1.80119467    
 H   0.634587884       2.13936687     -0.484574646    
 O   -4.37428427       1.39609134      0.690659404    
 H   -4.64995384       1.19023287       1.59389210    
 H   -4.78294373      0.735135317      0.118366748    
 O   -4.93123674      0.582665145       3.31537223    
 H   -4.08214760      0.885189176       3.68168974    
 H   -5.60072184      0.808261454       3.95609331    
 O    1.69277310     -0.437081963      -1.65494549    
 H    1.39889657      0.491351366      -1.62399626    
 H    2.36593032     -0.490493000      -2.32778311    
 O  -0.121481009      -3.49213386      0.506526709    
 H   0.627073228      -2.89980578      0.708778918    
 H   0.232090443      -4.37513018      0.447178721    
 O   -1.91075039      -2.19038725       2.22776771    
 H   -1.34713650      -2.78892994       1.72258961    
 H   -1.88085854      -1.34026086       1.75928044    
 O   -2.75736070       3.61426306      0.288117081    
 H   -2.39409804       3.39205122     -0.576230943    
 H   -3.44938731       2.95350885      0.435223728    
 O   -4.65792131      -1.84055507       1.78251553    
 H   -4.82700205      -1.11496508       2.39595890    
 H   -3.76156783      -2.14241266       1.98127449    
          69
 Energy    -248.87652490621406     
  O     10.52910021      7.89331499    -12.59813566
  H     10.93616354      8.73423885    -12.84362882
  H     17.12373737      5.48831650     -9.49305414
  O     15.63711685      9.78912654     -9.91854566
  H     10.77738377      7.24879980    -13.27155560
  H     15.32188746      6.69915626    -10.17757228
  O     16.32272898      6.06413030    -14.46386496
  H     14.67591106      9.79515248    -10.07546770
  H     16.08672860      7.98519870     -9.79141267
  O     17.46426068      2.76815860    -12.65326661
  H     15.82066474     10.50322363     -9.31392535
  H     14.50519781      3.72320475    -14.77737686
  O     16.58098916      9.63411768    -12.62404914
  H     16.06881672      5.14834555    -14.28368961
  H     14.67268537      3.55413956    -13.23955880
  O     14.28109908      9.80686666    -14.09939936
  H     16.87871581      6.37737475    -13.73862576
  H     14.02205944      8.07691737    -13.59861777
  O     12.96814086      9.75511915    -10.39849368
  H     17.02698393      2.50946425    -11.83235979
  H     14.78162270      6.74710704    -13.80479651
  O     13.21319159      4.38541283    -16.03224220
  H     16.75397948      2.92821062    -13.28722445
  H     10.98956899      7.54000155    -10.96346866
  O     16.09951101      2.45345361    -10.14145812
  H     16.32060975      9.76528232    -11.70357852
  H     10.62685513      7.23586935     -9.48916615
  O     11.90209793     10.37229497    -12.97175167
  H     17.10653088      8.82549536    -12.63497001
  H     15.03291867      9.63399226    -17.52061684
  O     19.22718006      4.67902200    -11.83906599
  H     14.41927340      9.68052319    -15.04972955
  H     14.70322691      8.29291684    -16.84761943
  O     17.56815216      4.62962021     -9.49191247
  H     15.14037673      9.83271990    -13.65245155
  H     14.34660785      5.83622939    -16.73639280
  O     16.19454607      7.03572112     -9.92625932
  H     12.60127498     10.06804115    -11.23443569
  H     15.61644777      6.42934176    -16.12108546
  O     15.15360608      3.57165768    -14.07918918
  H     12.43021600      8.99481109    -10.14873627
  H     17.19198547      7.01540001    -11.47520691
  O     13.99410465      7.13315828    -13.39931016
  H     12.67886216      3.86008822    -16.62311752
  H     18.37635570      6.30411932    -12.16715888
  O     11.36103773      7.40661283    -10.07201931
  H     12.59684653      4.90166259    -15.48734540
  H     12.91583432      6.52212457    -10.48589021
  O     14.60936168      9.25595218    -16.75454311
  H     16.21112013      1.77225672     -9.48409304
  H     13.83968275      6.57912358    -11.73585743
  O     14.98774539      6.54557420    -16.84839580
  H     16.60084076      3.22929425     -9.83056282
  H     12.49785881      6.30701727    -13.93593526
  O     17.73075905      7.01328578    -12.27918439
  H     11.53702848     11.18506697    -13.31145599
  H     11.52150305      5.11804994    -13.62027946
  O     13.74281165      6.18746690    -10.85322480
  H     12.75180664     10.23499909    -13.42721838
  H     10.76988086      3.04531444    -12.18114741
  O     11.69745266      5.84742078    -14.23557754
  H     18.64583715      3.99023621    -12.20811591
  H     12.23387789      3.51594716    -12.14273997
  O     11.36772543      3.69519100    -12.54113462
  H     20.12326401      4.40665496    -12.01688278
  H     13.88786892      4.46046041    -11.23554694
  O     13.93754256      3.54291367    -11.54547809
  H     18.25206103      4.68137549    -10.17095331
  H     14.60795097      3.09754243    -11.01355044
          69
 Energy    -248.87641612986823     
  O     16.98584047      3.74599422    -15.05223238
  H     16.63449794      3.20913015    -14.33176410
  H     15.79359159     10.45297019    -15.69078816
  O     18.69887449      9.19915477    -11.29463812
  H     16.33987496      4.45266428    -15.18333827
  H     14.32889171      8.51125835    -16.32741239
  O     12.63955618     10.73227847    -11.06513884
  H     19.02759206      8.54330711    -11.92031181
  H     13.38715041      7.75950462    -17.29141747
  O     17.08015334      7.87219083    -14.51121103
  H     18.48628534      8.71150149    -10.48875668
  H     15.79525622      9.53075683    -12.28201541
  O     19.53776208      4.43165238    -14.35298924
  H     12.15694524      9.90031216    -11.11243220
  H     14.84182987      8.31495264    -12.00485509
  O     11.45206488      8.15036062    -11.71352217
  H     12.88223142     10.93641400    -11.98005236
  H     17.00310653      2.67958575    -12.29451857
  O     17.82724818      7.63781839     -9.06176871
  H     17.87224082      7.58257736    -14.04374225
  H     15.87489697      1.62271410    -12.36775075
  O     13.92876324      7.21557409    -10.84304771
  H     16.45739111      8.20951639    -13.84667597
  H     14.78142957     12.01618708     -9.13050188
  O     15.34367616      8.61379522     -8.90250504
  H     20.15027494      4.10406594    -15.00626609
  H     14.07841465     11.12094393    -10.17734049
  O     15.21955588      5.92646473    -14.96246358
  H     18.64523842      4.21226846    -14.67502373
  H     16.65253044      5.62126257    -11.38798484
  O     19.15494660      6.88067041    -12.97108963
  H     11.55716451      8.29065187    -12.67170775
  H     17.55956495      6.30471272    -10.29753482
  O     15.71207853      9.61856746    -16.16404737
  H     10.54421154      7.89581181    -11.57210032
  H     14.22778176     11.43624827    -14.03081986
  O     13.64207624      7.82272935    -16.37412161
  H     18.21355188      7.54459533     -8.19547254
  H     14.07941735     10.04036250    -13.42088048
  O     15.26525159      8.83633303    -12.69683423
  H     16.93202269      8.00226182     -8.93786550
  H     16.25606902     11.22189119    -11.08854698
  O     16.09210983      2.52092975    -12.60113001
  H     14.18951025      6.39477283    -11.28359224
  H     17.52969461     10.47949860    -11.64890924
  O     14.93257285     11.30254658     -9.74498261
  H     13.02429404      7.42965618    -11.10784601
  H     16.51620248     12.75320184    -14.63731278
  O     17.55183512      5.69416626    -11.04490769
  H     15.19229194      9.54177871     -9.11535134
  H     16.37213825     11.67850122    -13.54042935
  O     13.57061464     10.82636034    -13.68061138
  H     14.77240356      8.09572018     -9.48731986
  H     15.27008898      4.19413278    -12.30833472
  O     16.77113132     11.03792709    -11.88421333
  H     14.55624942      6.41424313    -15.46205855
  H     15.03236842      5.43737080    -13.19714745
  O     16.04106834     11.95785789    -14.41057652
  H     15.96043367      6.54329923    -14.85168216
  H     19.08549396      3.54840351    -12.66821601
  O     15.05100500      5.13387269    -12.27814204
  H     19.46033091      6.13268453    -13.49904110
  H     18.33764079      4.07262766    -11.43300873
  O     18.60873052      3.25789869    -11.88135230
  H     18.60367723      6.48929171    -12.27588540
  H     12.29568865      9.59387607    -14.22721545
  O     11.87855911      8.72679104    -14.33008952
  H     16.34627812      9.02446805    -15.73585082
  H     12.38361923      8.29492258    -15.02879775
          69
 Energy    -248.87640857063809     
  O     16.31889151      6.67662770    -13.09390812
  H     17.04673522      7.15678178    -12.67548672
  H     20.90754283      8.79559887    -14.26210118
  O     17.14557399     10.87392651    -11.48574421
  H     15.60167747      6.61299862    -12.44739648
  H     14.47141604      8.63846785    -14.79306944
  O     16.59995827     10.81823680    -15.73965233
  H     16.25637960     11.00612444    -11.84448704
  H     15.64940643      8.14785070    -13.89934046
  O     13.04574136      5.40457259    -15.63543858
  H     17.05729720     10.87053370    -10.52497254
  H     11.91831824      8.58672253    -14.42751369
  O     14.23429090      9.32894781     -8.80062123
  H     17.29509375     11.15046486    -15.14741381
  H     10.54499538      9.01245013    -13.86777089
  O     14.18765653      6.74890804    -11.32125412
  H     16.15211216     10.10615442    -15.25452549
  H     17.43470064      8.77247294     -9.00010853
  O     14.65009255     11.06001433    -12.66016078
  H     12.52622707      4.71100819    -16.03294346
  H     17.94112530      7.89603714    -10.16257365
  O     16.75613926      7.04480676    -17.69360749
  H     12.74450201      5.48859495    -14.71263757
  H     11.76443829      6.77260461    -13.20511974
  O     15.23905135      6.63750902     -8.74354251
  H     13.67673274      9.37389736     -9.58760445
  H     12.88578798      6.04469375    -12.44208866
  O     18.53364122      8.78556792    -16.36239098
  H     14.44359080      8.39527420     -8.67174342
  H     18.12322451     11.38573001    -13.01218413
  O     15.87819304      5.57798611    -15.61981576
  H     13.83337466      7.64942523    -11.33329858
  H     19.15461010     10.69666251    -13.92339865
  O     19.98225485      8.93249394    -14.07761868
  H     14.50331801      6.58385502    -10.42407976
  H     18.91487271      8.45454040    -12.63929949
  O     15.22153618      8.93267368    -14.26195919
  H     14.59233171     11.79470637    -13.28465860
  H     17.82606077      9.20531452    -11.83266088
  O     11.38155766      8.62665949    -13.61845767
  H     14.83050102     10.26847752    -13.19426812
  H     15.76772498     10.17373682     -8.74282043
  O     17.60138901      7.85737808     -9.25904886
  H     16.95950382      6.45936942    -18.41794705
  H     16.75423544     11.08541466     -7.97446394
  O     12.20908952      5.92032036    -13.12139849
  H     16.46300481      6.48513837    -16.95154124
  H     15.52348484      8.47151519    -17.69608261
  O     18.52336200     11.42549128    -13.89135170
  H     16.12867494      6.99697899     -8.91441184
  H     15.42832131      9.92455751    -17.20280377
  O     18.22899994      8.33549604    -11.97034144
  H     15.33079957      5.98511873     -8.05498397
  H     12.34049954      9.10829236    -12.04128259
  O     16.67613004     10.52547727     -8.74202866
  H     17.94724751      9.54892602    -16.30127517
  H     13.53770943     10.02184872    -11.71921693
  O     14.90394393      9.20264539    -17.56349777
  H     18.03049804      8.11545508    -16.84005738
  H     15.11161484     13.69789855    -15.01219416
  O     12.99814730      9.30022695    -11.36233984
  H     14.92630484      5.42145394    -15.61483353
  H     15.42472140     12.21619255    -15.25769321
  O     14.81732920     12.81517686    -14.79870221
  H     16.11585921      5.85479416    -14.72430524
  H     13.02197028      7.25947941    -15.90776771
  O     13.00924424      8.22232670    -15.82599607
  H     19.50596803      8.79292400    -14.91579137
  H     13.54457986      8.59210999    -16.54453153
          69
 Energy    -248.87633608322932     
  O     -2.31889424      5.20525923      2.42510982
  H     -2.36861726      6.12468152      2.67320608
  H     -1.79889054     -1.97148411      2.10078578
  O     -3.05009949      2.74341307      3.57103174
  H     -1.38010617      5.01445898      2.24281005
  H     -3.89370564     -1.76401805      0.20728858
  O     -0.46652998     -0.93544206      4.77878639
  H     -2.90591996      3.64849392      3.26343826
  H     -2.54018613     -2.42677339     -0.14074208
  O     -1.02995948     -2.93324215      0.81301370
  H     -2.60303025      2.17493261      2.92379741
  H      0.43172541     -2.63575741      4.79460919
  O      0.07255593      0.78633126     -1.17725017
  H     -1.15356459     -1.15735605      4.12987897
  H      1.84351034     -3.10302358      4.37497447
  O     -2.53071416      0.02830454     -2.17132460
  H     -0.71706842     -0.08220708      5.14942147
  H      0.28539652     -5.77326857      2.49500342
  O     -5.06234110      1.40756400      1.95046306
  H     -0.31101593     -2.31450331      0.61027735
  H      0.52612176     -4.38090041      3.12520449
  O     -3.34620052      1.83802021     -0.20727998
  H     -0.63140559     -3.69470942      1.25129607
  H      1.92177583     -4.01386196      1.42982987
  O      1.04740093     -1.16454256      0.47794380
  H      0.06095792      1.74380987     -1.06343363
  H      2.17894349     -2.65000640      0.75790909
  O     -1.58881659      1.19255519      1.81792649
  H     -0.77409611      0.54808779     -1.57346690
  H     -1.93539980      2.12568559      4.86700173
  O     -4.84792006     -1.29161706      1.84669567
  H     -2.75112848     -0.18559845     -3.07366799
  H     -1.27131479      2.20820470      6.25817110
  O     -2.21416036     -1.37660196      2.74182807
  H     -2.81566538     -0.72726296     -1.62607236
  H      0.13558194      2.12740354      4.07308813
  O     -3.30315645     -1.97322168     -0.52514569
  H     -4.61659031      1.63004233      1.11929321
  H      1.20141789      1.40888687      3.19679964
  O      0.94243913     -3.41209372      4.53414764
  H     -4.61678701      1.92050333      2.63326448
  H      3.27576701     -2.80566578      2.69686863
  O      0.38474621     -4.84909216      2.28316771
  H     -3.18531818      1.28421865     -0.98014948
  H      4.39360739     -2.57038440      3.74337553
  O      2.62187619     -3.39540540      1.18741647
  H     -2.64779010      1.61830805      0.42996025
  H      0.95897485     -0.57047323      3.68475421
  O     -1.20446271      1.78180510      5.40702344
  H      1.25289556     -0.76853524      1.33407290
  H      2.41911282     -0.91593083      3.29574207
  O      0.64854066      2.20061021      3.25884169
  H      0.77196104     -0.45632638     -0.12316410
  H      0.50550418      3.76198662      2.34325060
  O      3.46758908     -2.42425423      3.57319358
  H     -0.73915293      1.49850960      2.15514748
  H      0.28434791      4.23651961      0.89048051
  O      1.69063660     -0.31326099      3.10441845
  H     -1.72560226      0.28143459      2.10945837
  H     -2.61632702      4.80064154      0.52881461
  O      0.22830055      4.52072554      1.81106564
  H     -4.99594354     -0.33076492      1.89826464
  H     -2.97382932      3.60856255     -0.38317199
  O     -2.55711596      4.48302092     -0.37918133
  H     -5.67211637     -1.70956426      2.08110634
  H     -0.92025648      3.98024079     -0.79849041
  O     -0.00763934      3.65893293     -0.90590087
  H     -3.16234384     -1.38439145      2.56145827
  H      0.37263020      4.15658392     -1.62614489
          69
 Energy    -248.87614157162341     
  O     -6.22404714      3.39434475     -0.43213873
  H     -6.23892072      3.26371503     -1.38667823
  H     -7.22313642      0.28788579      3.52666247
  O     -1.43386810      3.52520349     -2.48607867
  H     -6.98382972      2.91429258     -0.06265073
  H     -1.29694648      0.74913855      3.70767965
  O     -8.16030222      1.77467113      0.51815403
  H     -1.78679639      4.00228627     -1.71357215
  H     -2.42066492      0.09117504      2.88230396
  O     -5.21037263     -0.97013813      0.95408683
  H     -1.01507366      4.17844943     -3.04030925
  H     -1.89935424      1.85894678      1.95897894
  O     -1.22568476     -1.12573224     -0.74891652
  H     -7.81367108      1.30110215      1.28291880
  H     -2.74137417      1.96906952      0.66432207
  O     -3.50060478      1.63239587     -2.79055001
  H     -8.07821911      1.18221504     -0.24590018
  H      0.02356454     -1.54937253      3.32023940
  O     -5.89533904     -1.93301305     -1.57697354
  H     -5.60769894     -1.36788063      0.16938141
  H     -1.19034375     -2.13247667      2.57944796
  O     -3.45348757     -1.18319062     -2.47101984
  H     -5.89636791     -0.59148893      1.51861930
  H      1.24060005      0.56782629      4.27888660
  O     -0.18498332      1.47089911     -0.86681475
  H     -0.86858436     -0.23695716     -0.88572551
  H      0.89471038      0.37542308      2.78570848
  O     -2.60631353     -1.29238065      1.70992290
  H     -0.48376579     -1.67962772     -0.47523695
  H     -6.29846302      2.80032183     -3.99903401
  O      0.95441162     -2.44879754      0.46693625
  H     -3.69952231      1.49540734     -1.84920834
  H     -5.17175118      2.18704845     -3.13550330
  O     -6.81042842      0.50196856      2.69407601
  H     -2.77478478      2.26678451     -2.82308174
  H     -4.60755121      3.02491895      2.65653125
  O     -2.21640130      0.86177144      3.43519222
  H     -5.01688012     -1.70499498     -1.93172661
  H     -3.88312424      1.84482401      3.36436104
  O     -1.90376974      2.23778012      1.07354444
  H     -6.11548508     -2.79538670     -1.91857755
  H     -7.03892195     -0.44349938     -1.79492240
  O     -0.29456902     -2.34604882      2.87850736
  H     -3.42786385     -0.27386067     -2.79340456
  H     -7.11405102      1.00342617     -2.32788928
  O      0.54103733      0.29800647      3.68963779
  H     -2.67352179     -1.28298956     -1.90889385
  H     -4.56187130      0.59135319      0.21049279
  O     -6.09932890      2.47525214     -3.12465614
  H     -0.73483210      1.72893634     -0.10748762
  H     -4.95179325      2.05684508     -0.16323432
  O     -4.75048824      2.21638542      3.16042140
  H     -0.40260026      2.10322211     -1.55797673
  H     -2.03397713      3.90084927      0.35882981
  O     -7.58214663      0.35347983     -1.79123289
  H     -3.55356475     -1.31219944      1.51856436
  H     -3.18656813      4.87747213      0.27131865
  O     -4.22717037      1.41862800     -0.15594437
  H     -2.15672241     -1.18614464      0.86051349
  H     -5.33072638      4.29277360      0.78496936
  O     -2.36506628      4.64146750     -0.17155210
  H      1.48596280     -3.22915759      0.33771814
  H     -5.22175224      5.38258777      1.87190760
  O     -4.74751046      4.65611112      1.47368105
  H      0.54987597     -2.52446979      1.35002159
  H      1.07973750      0.79515032      0.39435163
  O      1.48043402      0.29925858      1.11893758
  H     -6.09669923      1.13565927      2.89043807
  H      1.45614565     -0.62591548      0.84397566
          69
 Energy    -248.87603440922004     
  O     10.73339366      9.50895110     -9.38666594
  H     10.01687103      9.17732914     -8.85283580
  H     11.05291454     11.63856171    -11.88103630
  O     14.65088539     10.47079164    -16.82161848
  H     11.46021726      9.73536397     -8.77748345
  H     13.61085519     13.35862221    -13.98010517
  O     12.50606765      8.02629218    -11.10728052
  H     15.02091656     10.27808075    -17.67948792
  H     12.76843639     14.45719895    -13.32517680
  O     15.50192433      9.85650613    -14.19354708
  H     13.87481562      9.89013629    -16.71668336
  H     17.52029058     10.48740130    -11.53773662
  O     13.50632487     12.98121759     -7.50411218
  H     11.80863460      8.40822249    -10.56190444
  H     16.97913335     10.25693398    -12.98228644
  O     12.69211000     12.65178126    -16.65927999
  H     13.33310203      8.23446473    -10.65155886
  H     12.50550414     14.56245526    -10.28934760
  O     12.88386229      9.20593595    -13.54978720
  H     14.64561206      9.53422990    -13.87283289
  H     11.67676978     13.29094581    -10.02748108
  O     14.72619833      9.25809843     -9.89591134
  H     15.39736375      9.97960419    -15.14644651
  H     18.37949176     13.66514179    -13.41483304
  O     14.05638617     11.60076075    -11.19724837
  H     12.99081387     13.39883549     -8.21857260
  H     17.71769609     12.44639657    -12.72733977
  O     12.90325172     10.19685463     -7.93005751
  H     13.28798530     13.44505993     -6.70053155
  H     11.69200867     12.33811841    -13.79459632
  O     15.89245156     14.72928797    -11.07474306
  H     13.46240187     12.07094058    -16.66404637
  H     10.79001358     11.31116253    -14.52231440
  O     11.25995448     11.77056636    -10.94579923
  H     12.75183650     13.19943613    -15.86621626
  H     15.09756020     12.28998287     -9.94013005
  O     12.74828221     13.80426389    -14.03303992
  H     12.71309511      8.71043691    -12.73622132
  H     15.08080339     12.78056206     -8.48193254
  O     17.64104245     10.73093961    -12.46308519
  H     12.33640999     10.00069242    -13.52608670
  H     15.92042565     12.92782909    -13.48944394
  O     12.12564518     14.02543409     -9.58476238
  H     14.45352932     10.00477552    -10.45326878
  H     15.23386825     11.59890144    -13.91679997
  O     17.61425899     13.39778097    -12.91326987
  H     15.66591472      9.39223227     -9.73597932
  H     11.22730399     11.68176743    -16.56815137
  O     11.20625474     11.50827087    -13.67513729
  H     14.35024592     11.95475274    -12.04406246
  H      9.77151315     11.31990232    -16.95328459
  O     15.67343999     12.60373449     -9.22266829
  H     13.09871557     11.70508824    -11.12973745
  H     16.82630355     11.22302317     -9.40559179
  O     15.06613682     12.51864509    -13.66981936
  H     13.62016209      9.84529663     -8.47493614
  H     18.03058234     10.33647025     -9.01199164
  O     10.48669400     11.07942380    -16.37099150
  H     13.12167841     11.11555575     -7.73600256
  H     13.30775599     16.40861028    -11.75213369
  O     17.30643535     10.40759859     -9.62886417
  H     15.90066505     14.11978691    -10.32558444
  H     14.26255774     15.21400896    -11.54879840
  O     13.34359854     15.45479246    -11.76152309
  H     16.55975739     14.39332924    -11.68500781
  H     12.55464678      8.86141604    -15.34848958
  O     12.43863304      8.98360703    -16.30204927
  H     10.97531181     10.98666442    -10.45901926
  H     11.66154735      9.54685833    -16.40159612
          69
 Energy    -248.87599933669341     
  O     17.20129654      6.58762621    -13.92850287
  H     16.35444614      6.15764206    -13.75642447
  H     16.99924801      9.89759838    -14.12731526
  O     19.41167152     10.54380134    -12.06203654
  H     17.16554033      6.87011551    -14.84874626
  H     14.77604163      9.47756220    -18.30254427
  O     17.49572037     13.38539202    -14.95519908
  H     19.10857847      9.63259130    -11.99270727
  H     15.66937485      9.57385327    -19.56090454
  O     14.58933384      5.48393120    -13.54456218
  H     18.78283923     11.09756278    -11.57292164
  H     15.32995342     10.82201130    -12.71487153
  O     15.72489909     10.86152953     -9.08076935
  H     18.29946235     12.86477320    -14.82629162
  H     15.85166702      9.50903535    -12.03114074
  O     14.01433683      6.85848168    -11.28900766
  H     16.97103154     12.92034358    -15.61825841
  H     14.31971288     11.51450677    -15.78100838
  O     14.21813137     12.32679864    -12.77915368
  H     14.35370882      5.96076451    -12.72842175
  H     13.37868603     10.63370752    -14.89392040
  O     13.23553511      9.31894545    -17.47067770
  H     14.43091734      4.55884955    -13.37567493
  H     19.19770723      7.20754086    -11.58666568
  O     16.13839341      8.49301488    -10.52310347
  H     14.85155439     10.94953417     -9.50500112
  H     18.06566819      7.40530242    -12.61595254
  O     16.65356672      7.84809734    -16.50596956
  H     15.60666443     11.06996427     -8.15813441
  H     11.05649403      8.80771939    -11.72568187
  O     14.05397322      7.13501464    -15.76851656
  H     13.25800747      7.45596276    -11.27437777
  H     12.39287875      8.95546190    -12.49022731
  O     17.53644190      9.87804910    -14.93372247
  H     14.75961209      7.36392776    -10.93542206
  H     16.42577317     15.03355771    -12.49716667
  O     15.69613191      9.57261007    -18.60788983
  H     14.87183308     13.03839469    -12.75692334
  H     16.78037626     13.88058957    -13.46647543
  O     15.74205273      9.96284229    -12.87539410
  H     13.87803887     12.24994485    -13.67896085
  H     19.67220315     11.28296882    -13.56583506
  O     13.43435635     11.46389926    -15.39086985
  H     13.31143073      8.52198394    -16.92991145
  H     20.59195811     11.64859498    -14.75858926
  O     18.50484500      7.80988548    -11.84748653
  H     13.07761970     10.05384958    -16.86784695
  H     16.91851512     11.82486534    -10.20652326
  O     12.00081624      8.86644748    -11.60390843
  H     16.15596113      9.23764658     -9.90861247
  H     17.13548104     12.84917732    -11.35435140
  O     16.34909819     14.09102877    -12.61841465
  H     17.03847433      8.27794716    -10.80182538
  H     16.53983571     10.96606067    -15.94996519
  O     19.68131533     11.62631975    -14.47942366
  H     17.02818997      8.54387617    -15.94141017
  H     15.95714065     11.03929412    -17.36811269
  O     17.56909840     12.16578329    -10.83123258
  H     16.45470840      8.28609704    -17.34171669
  H     13.56053534     11.60624744    -11.22206614
  O     16.01346904     11.52786488    -16.53919391
  H     14.13511530      6.45248039    -15.08958414
  H     12.87218573     10.31776092    -10.72214073
  O     13.40076212     11.07014677    -10.43242445
  H     14.95865827      7.34870213    -16.04283682
  H     13.53870552      8.36457666    -14.57931623
  O     13.38430095      9.07745683    -13.94685892
  H     18.33637332     10.39350536    -14.78203243
  H     14.24673308      9.29434328    -13.56104798
          69
 Energy    -248.87594616924639     
  O     14.05315226      8.83942342    -10.65273444
  H     14.04663087      9.61828968    -11.23047851
  H     17.88766419      4.35456407    -12.67502685
  O     12.99478003     10.65986106    -16.19237978
  H     13.33546083      8.27686886    -10.97708948
  H     18.40254154      7.93167117    -15.30310871
  O     16.74146537     10.77502806    -13.58619663
  H     12.86532265      9.89855435    -15.61175298
  H     19.09562810      7.69562874    -13.94806873
  O     13.48819318      5.25474755    -13.10686479
  H     12.98442533     11.43589367    -15.61912554
  H     14.34405933     12.90356612    -14.78049970
  O     17.50953124      7.36273746     -8.26760894
  H     17.33811223     10.84783108    -12.83228392
  H     13.12135780     13.74438090    -14.33686861
  O     15.92622917     12.66925909    -15.49437643
  H     15.84474571     10.71511367    -13.22917301
  H     13.76166132      8.01243138    -14.49904689
  O     16.05953606      7.41000912    -12.07352599
  H     14.12538181      4.95269871    -12.44099742
  H     12.54349098      8.16737761    -13.55315118
  O     14.07531839     10.67093358    -12.72228343
  H     14.00964400      5.62008543    -13.82971941
  H     15.28168509     10.71026697    -18.43308670
  O     18.74314924      8.16908366    -12.16627539
  H     17.97045331      7.26232652     -7.43912901
  H     14.50346831     10.63000143    -17.09775112
  O     18.29461044     10.80579455    -11.24774888
  H     18.04596012      6.91288001     -8.94534909
  H     12.54826722      6.47209405    -12.31358886
  O     17.58629626      5.10161864    -14.21602201
  H     15.85489738     12.11474820    -16.28118508
  H     11.23361513      6.97387032    -11.66663218
  O     18.00347643      3.98576729    -11.77998966
  H     16.37407453     12.12211474    -14.83403202
  H     14.52972308      7.23545395     -9.31354439
  O     19.03485508      7.35844943    -14.85273516
  H     15.45081846      7.96915941    -11.57864186
  H     15.80997641      6.71649275     -8.64030555
  O     13.46218014     12.85492418    -14.36840522
  H     15.93072885      6.50972198    -11.74424938
  H     15.26353579      5.21933747    -10.29890141
  O     13.03396017      8.60293520    -14.26044131
  H     13.79650663     11.50326801    -13.12455606
  H     16.27701658      4.41793142    -11.21427812
  O     15.39505357     10.67092065    -17.48723100
  H     13.72749675      9.96667385    -13.29018812
  H     18.70326401      5.37443457    -10.69967405
  O     12.10479036      7.25331074    -11.93527764
  H     18.77174186      9.08291463    -11.86213628
  H     19.04687006      6.86376145    -10.90075061
  O     14.95047716      6.43631057     -8.98524399
  H     17.80681335      7.91496006    -12.17009746
  H     15.56157025      7.09921958    -13.74811896
  O     15.40448018      4.82793043    -11.17373140
  H     18.82855539     11.47900777    -10.83510030
  H     15.79376126      7.55133027    -15.20062895
  O     18.93512540      6.18075992    -10.22455088
  H     17.67063892     10.48331440    -10.57298970
  H     16.90725815      8.96244647     -9.01054546
  O     15.27011827      6.94164615    -14.66137596
  H     16.73359606      5.42605870    -14.51452583
  H     15.64370033      9.52816147     -9.69421058
  O     16.55261594      9.74152703     -9.46053342
  H     18.21442774      5.79203544    -14.47985830
  H     16.86265912      9.56153974    -14.96069078
  O     16.81554701      8.97318085    -15.72867317
  H     18.40827783      3.12935823    -11.88786378
  H     16.41512810      9.48919739    -16.43844783
          69
 Energy    -248.87578325591551     
  O      0.91290190      1.19529518      4.04148324
  H      1.65775741      1.41433653      4.59563538
  H     -5.15715286      3.77571437      0.52252839
  O     -0.68904050     -1.62625095     -3.27090221
  H      0.18197336      0.96437468      4.64272427
  H     -1.75941052      1.61288933      5.67233995
  O     -2.46843749     -0.68145165     -1.29553650
  H     -1.44871728     -1.31501043     -2.75927987
  H     -1.93522964      0.10643165      5.52863466
  O      0.32670153     -3.68123067     -1.51047658
  H     -0.38495810     -2.42640479     -2.82515944
  H     -2.64972225      3.20566098      0.37107428
  O      1.95504893     -1.65887438     -0.68807465
  H     -1.74883562     -0.09884682     -1.01133333
  H     -1.31075625      2.53403822     -0.07209718
  O     -4.98339003      2.46901447      3.38863648
  H     -3.26698204     -0.34725449     -0.86629585
  H     -3.72439347      0.23331437      1.10095082
  O     -2.50394081     -3.28752031      3.94747558
  H      0.84688940     -4.45673534     -1.70289476
  H     -4.59427894      1.26145024      0.35680736
  O     -1.20914215      2.68683599      2.94477506
  H      0.94281778     -3.00988603     -1.16610624
  H     -2.00825671      1.00117922      2.54696101
  O      1.22948572      0.22351832     -2.72347664
  H      1.88552003     -0.99489863     -1.38560519
  H     -1.81746643     -0.53449944      2.25805039
  O     -6.09948410     -0.04638154      4.20135929
  H      1.81049198     -1.18671280      0.14161983
  H     -1.27377412     -3.49160521     -0.60287348
  O     -3.43836822     -0.77328743      4.78522597
  H     -4.32086407      2.68726768      4.05474945
  H     -2.26619884     -2.30129370     -0.56279252
  O     -4.55745767      3.07629433      0.76841391
  H     -5.39701164      1.64523615      3.67333596
  H      0.46184518     -0.97761135      1.81439823
  O     -1.26258504      0.78534366      5.66927183
  H     -3.13190553     -3.54870848      3.26274405
  H      1.13915870      0.27345569      2.40480209
  O     -1.69004511      3.30860794      0.36563765
  H     -2.88903133     -2.51396817      4.38245856
  H     -2.67444021      4.05365073      5.41702536
  O     -4.38892946      0.31998582      0.39680728
  H     -0.33131394      2.34558856      3.14755699
  H     -2.21955965      3.08989972      4.29467413
  O     -2.46663834      0.17466151      2.35424510
  H     -1.24899466      3.00538204      2.03074519
  H      0.10843461      0.62464824      0.22556274
  O     -2.04879311     -3.14667292     -0.14135951
  H      1.61700038      0.62834094     -3.49423459
  H      0.21242880      0.88493299     -1.30015567
  O      1.03344876     -0.22592997      1.58769196
  H      0.56205525     -0.41149320     -3.04046309
  H     -1.18035851     -2.49208929      1.33356306
  O     -2.78403281      3.16553833      5.08606366
  H     -6.04116073     -0.60601837      3.40554489
  H     -1.26602600     -2.55618812      2.87961980
  O     -0.36795372      0.98542052     -0.53480650
  H     -6.96677855     -0.18588911      4.57143646
  H     -3.41065445     -3.64660027      0.94568389
  O     -0.83485937     -2.09718465      2.14412698
  H     -3.14607520     -0.42263902      3.92941831
  H     -4.46757104     -4.68385864      1.37369678
  O     -4.10752752     -3.82811496      1.59676138
  H     -4.38031164     -0.57402928      4.82400161
  H     -5.43539586     -0.90229813      1.29968549
  O     -5.79043215     -1.52409667      1.95029185
  H     -4.71229223      2.89682222      1.71377505
  H     -5.27080363     -2.33066156      1.85799271
          69
 Energy    -248.87572520094113     
  O     20.01342223      9.65401608     -9.17398053
  H     19.60893945     10.47785033     -9.46973722
  H     19.70814544      8.43527876     -6.20633401
  O     17.50817747      5.89646203    -10.12128448
  H     19.80086761      8.98817185     -9.84788463
  H     19.14210233     11.53661567    -11.26431788
  O     18.11700813      4.70809760    -13.61278539
  H     16.92059903      5.74480256    -10.87167200
  H     18.69675925     12.73310807    -10.38696087
  O     19.22112308      6.81703490    -15.19823744
  H     17.94913109      5.06794397     -9.89505763
  H     21.86237439      9.56790593     -9.69903254
  O     21.90361683      6.60059180    -10.33344458
  H     17.26469077      5.01670042    -13.28558523
  H     22.59903141      8.29361069    -10.12387080
  O     15.84724057      5.91826836    -12.35091864
  H     18.45041358      5.39790322    -14.19992850
  H     17.39798012      8.79164705    -13.28415271
  O     21.61927679      7.20830549    -14.04880873
  H     19.32203213      6.77715387    -16.14522140
  H     18.54943865      8.12350919    -14.11739335
  O     20.54077715      5.62448344     -8.10116379
  H     20.11378831      6.93751155    -14.82301133
  H     19.82043104      3.69131662    -11.12415598
  O     14.27031424      8.52622197     -9.19961093
  H     22.24533710      6.00998728    -11.01500153
  H     19.42801047      4.05082585    -12.58174635
  O     22.50382837      4.98200212    -12.52477078
  H     21.06571520      6.95219881    -10.67339905
  H     12.52186634      7.26019896    -11.56801489
  O     19.44224883      7.69032582    -11.04103189
  H     14.93028360      5.97713247    -12.05944387
  H     13.68444807      7.63419965    -10.62507096
  O     19.41614480      8.06897904     -7.03742994
  H     16.07801845      6.84094156    -12.53042911
  H     17.20436573     10.65068940    -10.27125304
  O     18.70355194     11.78110264    -10.42789343
  H     21.98779116      6.47224860    -13.54447990
  H     16.77374879      9.32582691     -9.57299874
  O     22.66381875      9.25992099    -10.13972328
  H     21.91437780      8.02310059    -13.62601970
  H     14.86068996      8.36190294    -12.36687120
  O     18.35438681      8.75851538    -13.41658896
  H     21.13615649      5.94791282     -8.79263246
  H     16.01444652      9.19380785    -11.75611293
  O     20.16910000      3.78557101    -12.01650428
  H     20.16302129      6.40317298     -7.67790181
  H     23.24325966     10.09903385    -13.14566238
  O     13.47207955      7.24603416    -11.49148099
  H     14.98241861      8.12528849     -8.68343149
  H     22.57987218      9.54995028    -11.86328161
  O     16.50834595      9.98570278    -10.22966299
  H     14.68750993      9.31823928     -9.55954250
  H     17.06456531      7.13131594     -8.92608236
  O     15.73822868      8.71439586    -12.55375949
  H     23.15784403      4.32595468    -12.74702330
  H     17.65050343      7.94767648     -7.75398938
  O     22.45570914      9.66922536    -12.82094175
  H     21.66574005      4.50529087    -12.37012694
  H     19.32523783     10.24245126    -13.05068738
  O     16.88917992      7.88359700     -8.34024222
  H     18.79436109      7.03841510    -10.74275726
  H     20.79642743     10.58539344    -12.75600827
  O     19.89882596     10.92942385    -12.68174631
  H     19.13425434      8.04265571    -11.88458977
  H     19.62892487      4.35966919     -8.84607631
  O     19.08113375      3.73664666     -9.35842098
  H     19.68603362      8.69633877     -7.73061942
  H     18.96891313      2.95780160     -8.82072208
          69
 Energy    -248.87535265469984     
  O      9.87353543      8.42834119    -11.16966070
  H     10.13138625      7.51020522    -10.97172758
  H     15.10861790     11.59594132    -12.94799740
  O     14.15887656      7.32072794    -15.30455067
  H      9.18732163      8.66376172    -10.55156158
  H     16.46639378      9.36496633    -14.20057229
  O     17.56178223     10.14662830    -10.53571819
  H     14.72584316      7.83465911    -14.70685877
  H     16.62719490      7.85333225    -13.90253482
  O     17.36271631     10.82328686    -14.86712904
  H     14.71449391      7.13938875    -16.07071839
  H     11.76938450      6.04459294    -10.82297483
  O     12.24114093      9.19131682    -14.68025164
  H     17.64570342     10.81351756     -9.85879729
  H     10.67520892      5.46504538    -11.73298667
  O     15.95877220      5.76654061    -10.38384546
  H     16.64976974     10.19906915    -10.86719950
  H     19.22925975      7.26943704    -12.15219959
  O     13.41443074      5.24563054    -13.65864747
  H     16.75512421     11.45654377    -14.45589312
  H     20.60412544      6.95259919    -12.79131524
  O     15.08680294     10.11773572    -11.70175308
  H     18.10449546     10.68202586    -14.26202301
  H      9.97008068      4.53283864    -14.06998639
  O     15.80700322      9.97730016    -16.97522073
  H     12.58827142      9.98879898    -15.09933499
  H     10.34617312      6.01359779    -13.82296219
  O     16.15665655      4.77281531    -13.08597480
  H     12.81008301      8.47053408    -14.98693741
  H     19.47069430      9.22071559    -13.02141401
  O     16.37615316      7.11261829    -17.01288914
  H     15.81778738      5.20311407     -9.62653040
  H     18.70955454     10.20166637    -12.10994353
  O     15.25967665     12.17517233    -13.70537101
  H     15.09334399      6.14444629    -10.61376539
  H     18.44636164      6.69734095    -14.16201475
  O     16.04221964      8.60921649    -13.76884105
  H     13.62924509      5.92436788    -14.31603708
  H     17.17243970      5.78562829    -14.12152625
  O     10.81740780      5.88798476    -10.87667211
  H     12.46629613      5.07636162    -13.71971750
  H     17.98459537      8.31314383    -10.57073205
  O     19.73576116      7.29511815    -12.98558980
  H     14.14882575      9.91751191    -11.59623460
  H     17.45142641      6.85738644    -10.58891635
  O     10.60524803      5.09382433    -13.63309583
  H     15.41437492      9.51360404    -12.38848272
  H     13.36294002     11.93096468    -16.54727046
  O     19.19335817     10.14105758    -12.94259570
  H     16.48577138     10.32379542    -16.37557166
  H     14.37115444     10.77737701    -16.35141912
  O     17.63192203      6.47341427    -14.62964693
  H     16.00699526      9.04244830    -17.08712606
  H     13.24382241      7.55349282    -11.45643267
  O     18.23217837      7.39869471    -10.75696089
  H     16.18807726      5.00991957    -12.15168412
  H     13.51066505      6.16394328    -12.10537383
  O     13.63670278     11.25789451    -15.92892653
  H     15.21972236      4.74977881    -13.31975591
  H     11.59353059      9.07592437    -11.55290426
  O     13.53198765      6.65131744    -11.26793665
  H     16.89610054      6.87745912    -16.22525809
  H     12.41328153      9.23849342    -12.85785803
  O     12.48877765      9.18969707    -11.89370434
  H     16.73856975      6.61011695    -17.73789931
  H      9.78384161      8.04949404    -13.06884738
  O      9.95832899      7.71270043    -13.95619374
  H     14.61032286     11.92599359    -14.37469711
  H     10.64848453      8.28054476    -14.32431978
          69
 Energy    -248.87532069260919     
  O     13.03822010     12.98979147    -15.11780012
  H     13.80999677     13.43810473    -15.48204522
  H     18.58095802     11.19854254    -14.63123400
  O     18.09369318      7.05660660    -13.47547660
  H     13.02111378     12.12294716    -15.54454990
  H     16.68772003      8.80700739    -19.53579819
  O     18.66299430     11.50024571    -10.94669365
  H     18.07103870      7.25731930    -14.41712358
  H     15.61763123      8.65539550    -18.42695381
  O     17.04160318     13.96072041    -13.93043665
  H     17.19192853      6.80989710    -13.22705021
  H     15.86072020     11.12721805    -12.64386499
  O     14.86003653      9.71344813     -9.71170064
  H     18.93609607     11.86411533    -11.79598896
  H     16.69762604      9.82506571    -12.36382709
  O     15.40451638      6.59785773    -12.59207119
  H     18.58674193     10.54275076    -11.07103522
  H     14.44300377     10.71994981    -16.41873194
  O     12.60544257     12.84822684    -12.45727414
  H     16.53152730     14.02304182    -14.74528827
  H     13.60401758      9.95182284    -15.36020860
  O     14.08531326      8.12302252    -17.77640092
  H     16.43046341     13.64099386    -13.25124400
  H     17.44725833      8.34401591    -10.80742701
  O     16.08663100      7.35148833     -9.95704951
  H     14.12794491      9.88503099    -10.32234466
  H     18.20709391      8.26608325    -12.15487863
  O     17.56482317      8.07296048    -16.12762625
  H     15.34672691     10.53749114     -9.60719994
  H     12.67677954     11.03007638    -11.89004106
  O     15.13993915      6.83483214    -15.47752182
  H     14.80251214      7.32209604    -12.79473405
  H     13.05890015      9.63143943    -12.41176346
  O     17.93769729     10.58656429    -15.00573415
  H     15.61222085      6.70228555    -11.65337530
  H     15.63535345     12.68628730    -11.12352047
  O     16.50338206      9.01100400    -18.62310380
  H     11.88637858     13.42299538    -12.20944743
  H     14.40611063     12.86049022    -12.08415548
  O     16.12570592     10.27043632    -13.00320534
  H     12.70704961     12.92466947    -13.42318930
  H     18.53806856     13.12937764    -13.70340341
  O     13.54473965     10.43950910    -16.19284687
  H     13.68033783      8.89022280    -17.35142663
  H     20.08710432     13.11070544    -13.68252204
  O     17.97598161      8.86203449    -11.42632413
  H     14.29362121      7.50553663    -17.06281859
  H     16.63925229     12.59287813     -8.75623581
  O     12.87274958     10.12889548    -11.60676358
  H     15.59185706      8.17994548     -9.81061774
  H     17.27434401     11.94113345    -10.00908387
  O     15.36761145     12.78267196    -12.04699957
  H     16.10832303      6.88943175     -9.12395147
  H     16.29760370     10.62660239    -17.67123729
  O     19.31775833     12.56027132    -13.56366192
  H     17.80817762      8.91778163    -15.72067440
  H     16.81471146     11.11995554    -16.29856215
  O     16.42781086     12.13952049     -9.56762763
  H     17.35919120      8.27936073    -17.04701418
  H     15.52942844     14.47657529    -17.08079711
  O     16.15285963     11.28973611    -16.98554943
  H     16.00700126      7.21951812    -15.68020701
  H     15.73071373     13.00306142    -16.66206706
  O     15.48159145     13.88330063    -16.33471252
  H     15.24407247      6.33079425    -14.66436792
  H     14.32654002      8.18457947    -14.52610745
  O     14.00715268      8.85236403    -13.90373796
  H     17.26845848     10.45997460    -14.31463976
  H     14.77840150      9.35931240    -13.59501756
          69
 Energy    -248.87518582119731     
  O     11.92153140      8.97074199     -9.99173059
  H     12.63854120      9.60046058     -9.79646665
  H     15.37549365     10.93458976    -14.74141474
  O     15.31529542      4.22142984    -13.54577971
  H     11.17289468      9.22921640     -9.46132581
  H     15.55457114      7.28276349    -12.02976056
  O     14.55339601     12.39433655    -11.85675341
  H     15.25979941      4.89357161    -14.24570879
  H     15.81480477      8.40561873    -13.04550710
  O     17.19906669     11.44221804    -12.45568110
  H     15.52788408      3.39656919    -13.97566272
  H     13.80719209      6.30324693     -9.71634873
  O     12.18727203      8.16233471    -16.91704083
  H     14.37490917     13.33219653    -11.86490752
  H     12.59702503      7.17324047    -10.10736809
  O     15.56934495      6.39447065     -8.95876485
  H     14.17778099     12.03497725    -12.67744166
  H     16.19390570      5.70391174    -10.65586220
  O     12.42795316      6.91529326    -14.44402567
  H     17.06352668     11.32013867    -13.40415641
  H     16.10387167      5.10217744    -12.11180925
  O     13.60375667     11.15644013    -14.13413199
  H     16.37154436     11.81126073    -12.12713495
  H     13.50249290      4.52068233    -12.82475363
  O     15.13220086     10.13693170    -17.55026914
  H     12.12390246      7.66859119    -16.08703317
  H     12.73301972      5.34330453    -11.76224841
  O     16.86274314      8.24324896    -14.56777452
  H     12.97508753      7.82899889    -17.36186594
  H     19.48405751     10.17122554    -10.69437238
  O     14.98736571      6.29189797    -15.36024287
  H     15.84301089      7.31102740     -9.13106326
  H     18.18050251     10.38166877    -11.49943719
  O     16.28430768     10.84928661    -15.06165704
  H     15.79600053      6.20454695     -8.05202562
  H     17.99873004      6.76977089    -12.18057774
  O     15.27976670      8.17649841    -12.27538302
  H     12.35881655      6.14366266    -13.86206501
  H     18.69104236      8.14398797    -12.02130536
  O     12.99849150      6.30644069    -10.24002310
  H     12.42268465      7.68792332    -13.86341636
  H     17.14141727      9.22773100     -9.99003987
  O     16.52208555      5.77529605    -11.55947714
  H     13.23027999     10.41018567    -13.64031502
  H     15.84324058      8.77657529    -10.67611551
  O     12.64235942      4.90172253    -12.62057449
  H     13.17173220     11.16101593    -14.99711900
  H     15.08125867      7.21795248    -18.78264072
  O     18.66287591      9.75036434    -10.93413692
  H     14.24985652     10.48882382    -17.38075544
  H     15.00859124      8.40454238    -17.79517136
  O     18.58847863      7.39621605    -12.62234148
  H     15.68053401     10.45849508    -16.82336053
  H     14.82877341     10.15859482     -9.53458575
  O     16.23783326      8.94375971     -9.80499032
  H     16.31254048      7.50548455    -14.85914047
  H     14.17358448     11.28655877    -10.36044790
  O     14.81513937      7.45546967    -17.89844561
  H     17.57592398      7.90230944    -14.00633510
  H     12.29511025      9.88936322    -16.75652105
  O     14.01186113     10.66274899     -9.64188489
  H     14.11809782      6.54271914    -15.01209306
  H     11.79632089     11.29172416    -17.17821291
  O     12.48026401     10.84387844    -16.68778372
  H     14.99677486      6.56830355    -16.28591384
  H     13.61926991      8.67951375    -12.49199055
  O     12.72664188      9.01976890    -12.67080076
  H     16.54116657      9.91875750    -14.94863059
  H     12.27060315      9.03555034    -11.82208008
          69
 Energy    -248.87514097014179     
  O     -2.46669161      1.38711187     -0.30272154
  H     -2.84345629      1.15725086      0.56031900
  H     -5.34334314      2.82769254      4.17865825
  O     -2.35914938      4.20222007     -0.30437816
  H     -2.50295531      2.34789518     -0.38962406
  H      1.52529062     -1.12214799      4.26831697
  O      3.56719153      0.30044487      2.15602932
  H     -2.59001457      4.36393861      0.62868727
  H      2.75851900     -0.28852046      3.89935513
  O      0.14314451      2.04586598      2.74590307
  H     -2.85706901      4.82888315     -0.82294294
  H     -0.31715701     -2.64531626      2.75797774
  O     -2.43715008     -1.11079045     -1.46207364
  H      2.89369705     -0.15533505      1.62365164
  H      0.67877828     -1.54955034      2.31231801
  O     -2.92839477      4.57166104      2.29471781
  H      4.40683757     -0.08207188      1.91226204
  H      3.19738763      2.06988901      2.73906209
  O     -0.17696239     -2.63524670     -0.47284650
  H      1.04975898      2.14390168      3.06332576
  H      2.64358012      3.54742495      2.68553654
  O     -3.48411144      0.61125754      2.15110658
  H      0.18343792      1.87014764      1.79740066
  H      0.89621073      5.06230069      2.69647249
  O      0.29625965      1.47862365      0.03624150
  H     -2.45807848     -0.18857251     -1.15774664
  H      1.97920021      6.05120877      2.21227614
  O     -3.51074699     -1.99703337      1.03855970
  H     -2.77471220     -1.11112369     -2.35459079
  H     -0.39791744      3.62611470      3.33033358
  O     -0.37627549      3.56430374      6.35711987
  H     -3.51991489      3.98661677      2.78344611
  H     -0.48873120      4.37925607      4.66998790
  O     -4.49645344      2.71190396      3.75666339
  H     -2.14185843      4.68377875      2.84409656
  H      1.79684952      1.07145571      5.51518341
  O      2.17912523     -0.51454177      4.63536312
  H     -0.59451296     -3.13413876      0.24022913
  H      2.25668880      2.44064581      5.01639080
  O      0.25971252     -1.94601509      3.08914437
  H     -0.88777927     -2.13429572     -0.89110279
  H     -2.20921319      1.22345244      5.14443694
  O      2.82810190      2.79593165      3.25952348
  H     -2.75703917      0.36970867      2.74539455
  H     -1.90491614      2.53080766      5.90787488
  O      1.64054239      5.16855708      2.08092857
  H     -3.98471145      1.29489864      2.61053902
  H     -0.84173281      0.83381573      3.55857670
  O     -0.50363859      4.51254787      3.71441759
  H      0.51732111      2.38665154     -0.21909266
  H     -0.91373418     -0.69389243      3.73065251
  O      1.72829130      2.01757396      5.70548995
  H     -0.64614621      1.35850559     -0.13913704
  H      1.12538148     -0.02085669      0.46229189
  O     -2.62492538      1.99097688      5.56213358
  H     -3.26246311     -1.78185843      0.13069908
  H      1.06111490     -1.55266083      0.26317839
  O     -1.40803818      0.11875048      3.88915414
  H     -3.65781243     -1.14940615      1.47704986
  H      0.90073024      4.57749877      0.41918574
  O      1.50305010     -0.85790381      0.77203753
  H      0.37695531      2.97263501      6.17233148
  H     -0.42623144      4.30526312     -0.34063366
  O      0.52765520      4.15550211     -0.36428665
  H     -0.24750286      3.90137754      7.23933023
  H     -2.29964473     -3.12200082      1.61644994
  O     -1.54476628     -3.69910420      1.82971259
  H     -3.85970896      2.48947738      4.46106674
  H     -1.90298268     -4.56147077      2.02142297
          69
 Energy    -248.87513067837963     
  O     16.58067216      9.87703762    -15.21406515
  H     17.36266483      9.31073732    -15.13524626
  H     18.56255507      3.58248286    -14.72117467
  O     13.84546345      7.53582326     -9.62551865
  H     15.81333939      9.30985360    -15.37288812
  H     15.28561497      7.03222625    -10.79002251
  O     16.96570934     12.56546741    -15.03734649
  H     14.22396990      8.42347840     -9.48431187
  H     15.94780128      7.89129660    -11.89431594
  O     14.43734770      8.15086686    -15.47376665
  H     13.74673323      7.13965472     -8.76392530
  H     18.48021335      6.99575675    -16.04922308
  O     18.74878712      8.26713716    -14.71290549
  H     16.83696543     12.99444354    -15.87935355
  H     17.35674599      6.36941022    -16.91741458
  O     20.64068278      9.92634320    -13.50701677
  H     16.79121500     11.61855663    -15.17484661
  H     17.91147586     11.89036579    -10.59174176
  O     18.32979989      6.41488510    -12.65848106
  H     14.32199671      7.50072377    -14.76668800
  H     18.24237886     13.31673381    -10.09432347
  O     12.12462392      7.47542184    -11.84828555
  H     14.70377202      7.64006256    -16.24915354
  H     15.34918679      5.61837992    -16.71779654
  O     15.68400595     13.16781104    -12.54568613
  H     18.56515148      7.65162886    -13.98842254
  H     15.15383804      6.00167448    -18.20510797
  O     12.74553762      9.68027301    -13.63200792
  H     19.46852922      8.83497975    -14.40985600
  H     15.32812056     10.08247779    -12.25356663
  O     14.00505888     11.18684783    -11.69112167
  H     20.15991648     10.77156912    -13.44866464
  H     16.30168135      9.70662944    -13.41069922
  O     18.01016875      4.34480984    -14.56770211
  H     21.55108766     10.14012932    -13.69237084
  H     18.52567239     12.40631354    -13.98226876
  O     15.86326805      6.98298602    -11.55877458
  H     18.26370713      5.61879193    -13.20014193
  H     18.89325964     12.49430575    -12.48783999
  O     18.22838204      6.20135729    -16.53999910
  H     17.48441383      6.51141098    -12.19709550
  H     18.44973418      9.58037962    -10.43912236
  O     17.99335868     12.81904826    -10.86868376
  H     12.67811637      7.52595160    -11.05316555
  H     17.14755486      9.98325960    -11.13959197
  O     15.46443095      6.33611460    -17.36781625
  H     11.22539559      7.36134813    -11.54895479
  H     13.24324797      6.47584680    -13.03058337
  O     16.08611060      9.52995840    -12.48940619
  H     16.43499560     13.15366246    -11.93937220
  H     14.76326052      6.36886249    -12.84686520
  O     19.22997961     12.21991757    -13.34980457
  H     16.05554195     13.04272340    -13.42721298
  H     20.11507705      8.97009552    -11.91000166
  O     17.67813407     10.15617479    -10.34636860
  H     13.22798364      9.28903511    -14.36884932
  H     19.35144788      7.67803625    -11.58036180
  O     14.04965617      6.19603099    -13.47827584
  H     12.47314380      8.94370398    -13.07068301
  H     14.55692653     10.49787486    -10.08169783
  O     19.71027768      8.48094891    -11.18295047
  H     13.45754228     10.82627785    -12.40307813
  H     15.91973003     10.03801822     -9.50196896
  O     14.96524638      9.96338579     -9.38359257
  H     14.46850468     11.97479291    -12.01492407
  H     14.75186479      4.96472908    -14.67415633
  O     15.25089119      4.51111946    -15.36749856
  H     18.15261364      4.95052890    -15.31811120
  H     16.12838544      4.33940771    -15.00481240
          69
 Energy    -248.87493665001188     
  O     10.57698538     10.49583588    -11.97698690
  H     10.22660462     11.33007611    -11.67498167
  H     14.92425779     12.04669116    -14.95826577
  O     14.14636801      7.05164512    -15.32239687
  H     11.52251801     10.63727765    -12.15043241
  H     15.43665317      8.19290240    -12.50636256
  O     12.80227316      9.47822443    -15.17393720
  H     14.70158319      6.94860510    -16.10413127
  H     16.27876544      7.03947564    -13.16418927
  O     15.13191284      5.60216847     -9.98097916
  H     14.73791645      7.36256294    -14.61684305
  H     10.31586796      8.78856953    -11.17570841
  O     12.83415824      5.61711642    -13.33681685
  H     13.22956106      8.62280214    -15.30764229
  H     10.07201295      7.34766857    -11.67263319
  O     14.72086827      8.96924327    -11.04146646
  H     11.86141262      9.31671372    -15.00829300
  H     18.21041231      7.31449387    -11.00303200
  O     16.30598522      9.78971981    -16.99476087
  H     15.15192177      4.93746302    -10.67760460
  H     19.00297512      7.49687542    -12.33490865
  O     14.91462196      3.97833921    -12.37506719
  H     14.27000930      6.03163846    -10.07785005
  H     11.06517028      6.00944565    -13.36203123
  O     17.17332055     10.04402768    -14.32456565
  H     13.47304506      4.95837233    -13.03428473
  H      9.58815258      5.60938648    -13.56295694
  O     16.08607324      7.13194442    -17.35484248
  H     13.23015628      6.06111530    -14.10028644
  H     20.18358895      8.85384069    -14.22011972
  O     18.10597422      6.24970437    -15.50008912
  H     15.46914905      8.72713134    -10.48205017
  H     18.66598032      9.12615000    -14.12375829
  O     15.32225382     12.06976776    -14.07883705
  H     14.02389570      8.31031273    -10.89222771
  H     17.75071346      5.70562104    -12.52868197
  O     15.80113989      7.86050183    -13.33623917
  H     15.55789543     10.39837670    -17.00816991
  H     17.43937292      5.50005803    -14.04006832
  O     10.28133742      7.86770224    -10.88641155
  H     16.72086982      9.91047401    -16.13008632
  H     17.12602863      7.77358711     -8.77468355
  O     18.77069513      6.86250693    -11.64512185
  H     15.07896491      3.03950292    -12.40955742
  H     16.29475564      6.90108461     -9.74376283
  O     10.15409174      6.34376729    -13.33695273
  H     15.72261396      4.41646621    -12.69975492
  H     13.42307136     11.94332012    -17.12547644
  O     19.34771070      8.44171081    -14.01523327
  H     16.66464701      9.29025291    -13.98911757
  H     13.53417196     10.76682087    -16.12746391
  O     17.09824597      5.34307103    -13.14665206
  H     16.64060487     10.83565418    -14.16489060
  H     11.95887726      7.28256747    -10.69208858
  O     16.83274558      7.71149006     -9.68054393
  H     16.15733854      6.90007306    -18.27682495
  H     12.86998184      6.54258925    -11.70650566
  O     14.04177610     11.46059138    -16.58388218
  H     16.16997772      8.10160513    -17.29961261
  H     13.17608423     10.21010685    -13.50154155
  O     12.86304307      6.97346136    -10.84195845
  H     18.57484931      7.01170695    -15.13837130
  H     13.79688497     10.15011467    -12.06293847
  O     13.24599243     10.67940751    -12.65717611
  H     17.48291010      6.57819224    -16.15887273
  H     10.13399360      8.08428182    -14.10436178
  O     10.23864505      8.99912921    -14.39417264
  H     14.62542618     11.78542210    -13.47481485
  H     10.19185794      9.54063373    -13.59583326
          69
 Energy    -248.87477821540625     
  O     13.27506214      2.97492361    -11.77148058
  H     13.06511331      2.03325876    -11.76056870
  H     19.69522675      4.80713274    -14.98381567
  O     12.57940851      3.99296305    -14.28789085
  H     13.04909337      3.29839200    -12.65623250
  H     13.33017474      8.86454462    -10.01414355
  O     16.09407427      2.87395985    -11.53049144
  H     12.07804045      4.78680694    -14.07175304
  H     12.97257850     10.36056316    -10.19204383
  O     18.73549898      6.70042166    -12.21089345
  H     13.46019361      4.30267837    -14.55535589
  H     14.55611475      7.11447203    -12.55209062
  O     13.22579707      1.27175604    -14.80940954
  H     16.43583529      3.65248448    -11.07071861
  H     14.07914283      5.93183631    -11.69084801
  O     12.98576399      0.21299168    -12.14182821
  H     15.13272440      2.97112740    -11.57778859
  H     11.98050860      5.76526502    -11.62582850
  O     17.86527152      9.25778550    -12.31329356
  H     18.83715461      6.16299997    -13.00537527
  H     12.66203176      4.50710589    -11.00838104
  O     16.23201272      9.23168197    -10.02401871
  H     18.21151258      6.17874291    -11.58949384
  H     16.02346467      0.16262325    -15.81672237
  O     15.11226968      4.90419219    -14.62923777
  H     12.87208631      2.16948439    -14.77510220
  H     14.93191600      0.95336961    -15.05880626
  O     15.77627049      8.92041848    -14.22325350
  H     12.98612957      0.85452961    -13.97242841
  H     10.64466833      6.86101824    -13.56366067
  O     16.83871462      6.83917513    -15.74313480
  H     12.59690181     -0.54955254    -11.72309364
  H     12.13516027      7.19486816    -13.34148949
  O     18.89407304      5.12044200    -14.57054385
  H     13.95177496      0.08691234    -12.12207632
  H     16.19423994      5.73841839    -11.21339219
  O     13.44530381      9.63782896    -10.59643264
  H     18.61271293      9.83147328    -12.46034092
  H     16.67528675      5.82535001     -9.75195667
  O     14.82423506      6.25095846    -12.21654711
  H     18.21081163      8.34715420    -12.29248385
  H     16.80925577      2.24427857    -14.53101125
  O     12.47989751      5.44622862    -10.86239747
  H     16.79650942      9.29302823    -10.80502087
  H     16.84937833      2.98753818    -13.16812474
  O     15.88367529      0.74746780    -15.07680248
  H     15.34556966      9.49459842    -10.29722158
  H     15.98408691      1.00137100    -11.86888466
  O     11.48223571      6.47335215    -13.32175032
  H     15.07096771      5.38735307    -13.78992522
  H     15.89109832      0.23061598    -13.20001210
  O     16.84331830      5.37545525    -10.58886388
  H     15.79604547      4.23022317    -14.52750794
  H     12.95396774      6.66598528     -9.56573516
  O     17.13161290      3.04254062    -14.09348392
  H     16.15400397      8.27239616    -14.83454659
  H     14.18914484      7.16515547     -8.77053977
  O     15.70075662      0.16194726    -12.25621280
  H     16.47335082      9.11796472    -13.58721248
  H     16.20925007      7.84612525     -8.98771278
  O     13.30247396      7.41243063     -9.05932837
  H     16.13366852      6.20529700    -15.55511645
  H     16.46846860      7.22086812     -7.59540808
  O     16.09657245      7.03718450     -8.45395833
  H     17.63971288      6.40113403    -15.43560538
  H     13.34395136      8.97073401    -12.31589944
  O     13.35831539      8.47639408    -13.14598399
  H     18.33511424      4.33975653    -14.42572580
  H     14.14989983      8.74678364    -13.64026401
          69
 Energy    -248.87472238030432     
  O     17.22465356      3.95770391    -13.89400412
  H     17.64837214      3.14854565    -14.16736535
  H     20.10514154      8.30525560    -15.29179031
  O     13.36134040     11.33134590    -11.10194021
  H     17.36334964      4.60461931    -14.60963941
  H     15.71060408     10.58225060    -14.65311075
  O     15.95949132     12.17976946    -11.98097457
  H     14.23581833     11.69600569    -11.28252652
  H     14.25687707     10.83408462    -14.13341726
  O     11.88921808      8.65572881    -15.75931479
  H     13.00540953     11.05489981    -11.95698280
  H     16.18225827      8.30617277    -13.50403427
  O     16.24287354      5.57715746     -9.48047499
  H     16.28553242     13.07609082    -12.00864550
  H     16.47304428      7.15732465    -12.48019497
  O     13.22283423      6.44866661    -14.56500381
  H     15.70001883     11.94750311    -12.88849407
  H     13.60293228      5.86423174    -11.29649075
  O     12.77725987     10.00711089    -13.53940768
  H     12.18136172      7.78804289    -15.44728359
  H     14.68651978      5.12585266    -10.49354630
  O     14.26410007     11.64283363    -17.07563049
  H     12.38012167      8.81685110    -16.57271849
  H     17.50123574      5.12160689    -12.49916771
  O     17.56567070      5.88535647    -15.75273673
  H     16.11641439      6.52305869     -9.28453112
  H     17.20184150      5.64564037    -11.05070815
  O     16.68289430      9.18162003    -15.03092496
  H     16.45735588      5.15113184     -8.65493263
  H     15.29979293      3.98973662    -13.80180296
  O     15.18387031      7.31807314    -16.35332655
  H     13.55305375      5.55294470    -14.39072798
  H     14.19321581      4.27995601    -12.76855902
  O     19.23795782      8.10833575    -14.94866913
  H     13.12990367      6.85766519    -13.69729361
  H     16.86680337     10.64653672    -11.27239754
  O     15.07026724     11.27473653    -14.42440969
  H     12.35467937      9.66989572    -14.34308938
  H     16.68644948      9.14679588    -11.58707840
  O     15.90607275      7.91872880    -12.66466529
  H     12.92102452      9.23463046    -12.97809803
  H     18.81214978      7.27841279    -12.03739615
  O     13.94163395      4.98607053    -11.09027643
  H     13.89691718     12.51312731    -17.21192105
  H     18.72586502      8.79312917    -11.75917140
  O     17.61439864      5.86739548    -11.89584152
  H     14.56944023     11.62368932    -16.15608687
  H     14.95138919      8.55124264     -9.14144281
  O     14.35044467      4.12313101    -13.71189123
  H     18.18139909      6.59469909    -15.53461034
  H     16.40206531      8.82820914     -9.59250128
  O     17.18400762      9.76860334    -11.03321633
  H     16.75794046      6.30344790    -16.07845990
  H     13.50327543      9.11946831    -18.89106791
  O     19.23045670      8.12750885    -12.24171484
  H     16.17604605      8.55608475    -15.57079303
  H     13.92768411     10.01741040    -17.70518594
  O     15.85630859      8.22363508     -9.07330669
  H     17.61371797      8.93134525    -15.07934278
  H     13.24421782      9.97489352    -10.01792310
  O     13.71190230      9.10449052    -17.96035995
  H     14.52326165      6.99154646    -15.72465443
  H     12.48263221      9.20538879     -8.91039714
  O     13.19045964      9.12545590     -9.54449593
  H     14.71209583      7.84502680    -17.01015560
  H     13.18927731      8.10778360    -11.09482693
  O     13.31959593      7.70344069    -11.96203157
  H     19.30797642      8.12641137    -13.97711306
  H     14.26795729      7.76880612    -12.17305362
          69
 Energy    -248.87469480455837     
  O     18.98383251      9.46183908    -14.92498678
  H     18.12515675      9.24629104    -15.30293404
  H     19.91828720      6.08554961    -14.62595458
  O     22.06156748      6.90986233    -12.38261175
  H     19.47917306      8.62866864    -14.89948551
  H     18.60183375      3.99265907    -14.42437956
  O     16.11660459      8.31120447     -9.72046058
  H     21.57975951      7.51810275    -11.79431420
  H     19.93650324      4.22050559    -13.67643184
  O     12.83886818     10.54893236    -12.21515110
  H     22.98859543      7.11070481    -12.28773104
  H     15.31294274      9.47227437    -14.69589198
  O     16.40176798      8.55702608    -15.96935638
  H     15.74992101      7.49718407    -10.09427173
  H     15.60725389      9.74841697    -13.20235058
  O     11.61717007      7.95337599    -12.19047803
  H     15.35310901      8.88044714     -9.54297255
  H     18.68387872      7.10399779    -13.33340692
  O     18.53647593      5.47003048    -10.64740333
  H     12.50688187     11.41733413    -12.43068581
  H     17.58422416      7.95882756    -12.61622314
  O     14.62325068      6.21803574    -10.82424751
  H     13.53832272     10.35249839    -12.85952932
  H     14.63057816      6.57672884    -13.94302464
  O     20.73633963      4.36862269    -12.03316208
  H     16.31872520      8.52194564    -16.91974079
  H     14.25022629      8.00870776    -13.53248622
  O     16.30082427      4.03412035    -11.51276971
  H     16.34549289      7.63938006    -15.65480931
  H     17.75990098      7.99076880     -9.13146006
  O     16.75036094      3.42366838    -14.12692237
  H     11.85714549      8.88825552    -12.22098891
  H     18.79133453      7.82693724     -7.99337725
  O     20.14212531      7.01092589    -14.43603962
  H     12.28629358      7.50351998    -12.72449772
  H     13.43891105     10.01811697    -10.42846793
  O     19.48051711      4.37284621    -14.51897891
  H     18.65975018      6.10399054     -9.93420754
  H     13.15333895      8.83922154     -9.48241986
  O     14.89543709      9.72181441    -13.86329374
  H     18.29013878      5.99700029    -11.42460511
  H     19.96153638      8.38391939    -10.21512850
  O     17.86539011      7.05922484    -12.81858439
  H     13.82060779      6.38713804    -10.31562585
  H     20.21170721      9.35918776    -11.39682910
  O     14.00372162      7.08223250    -13.40991374
  H     14.43413454      6.50915184    -11.72796199
  H     19.28820945     10.27647695    -13.41984568
  O     18.68567644      7.76575020     -8.93975848
  H     21.30373823      5.14571801    -12.10343032
  H     19.76213903     11.52652619    -12.63710912
  O     13.71710372      9.61548027     -9.59750394
  H     20.01592932      4.63483710    -11.44616619
  H     16.30467978      5.11107373    -14.75869154
  O     20.60255544      8.63779103    -10.88944236
  H     15.63036139      4.67208716    -11.23869948
  H     16.77321707      6.38529959    -14.03820796
  O     19.40146510     10.65103624    -12.52648940
  H     17.11872498      4.34805569    -11.10401862
  H     11.47607298      6.79866472     -9.17879521
  O     16.20380194      6.07030871    -14.75927619
  H     16.57544282      3.58955488    -13.18283386
  H     11.88508243      7.40222323    -10.54468792
  O     12.21372613      7.16463277     -9.65885955
  H     16.52917269      2.51086084    -14.28925065
  H     16.69338680      9.25357809    -11.16257903
  O     16.89058314      9.59170620    -12.04617911
  H     20.89060382      6.99977247    -13.82602816
  H     17.72833997     10.07111064    -12.03986556
          69
 Energy    -248.87443023016996     
  O      2.27103280     -0.79503176      5.57596757
  H      2.34012091     -1.17540316      4.69022112
  H      0.27313604      2.39652937      2.04882646
  O      0.68287618      2.29149529      8.05300261
  H      1.98170977      0.12256650      5.47893318
  H     -1.71321050      0.53560641      4.24034773
  O     -2.25018363     -4.63480114      5.45679749
  H      0.72338136      1.42358976      8.49052258
  H     -1.27693322      1.79539789      3.45013783
  O      2.37566024     -4.66302687      7.14552495
  H      0.99902929      2.93210812      8.68473703
  H     -0.18031386      0.59882784      0.90681941
  O      2.19271577     -1.94505496      3.06496896
  H     -2.88550426     -3.93723348      5.64718587
  H     -0.07327049     -0.94639694      1.00384241
  O      1.93777108     -4.38316384      4.48450885
  H     -1.65237933     -4.66646854      6.21856648
  H     -1.90123447      1.76540540      6.14168238
  O      2.47560010     -1.93269073      8.08258674
  H      2.28292328     -4.57732295      6.17914296
  H     -1.16056705      2.07411212      7.45957245
  O      0.56926957     -0.23718526      9.09889924
  H      3.02391627     -5.34472461      7.29992561
  H      1.83858450      2.21347198      3.63153973
  O     -1.08094857     -2.74537166      9.65173988
  H      1.26979639     -2.04178908      2.79042134
  H      2.38329514      1.62876333      2.29794205
  O     -0.47896295     -2.31895628      2.22760019
  H      2.59363388     -1.31693324      2.45187007
  H      0.65295973     -1.56290093      5.93371813
  O      2.89633286      0.07709474      1.25492083
  H      2.20393987     -3.60101096      3.98534387
  H     -0.18886919     -2.78886081      6.42644830
  O     -0.65131370      2.27473883      1.76363417
  H      1.09125014     -4.65408408      4.10946496
  H     -0.83112547     -5.75568469      2.88131121
  O     -1.40787770      1.44792365      4.34116176
  H      2.50684144     -2.87580550      7.88998801
  H     -1.24694413     -4.82400606      4.04191996
  O      0.28576966     -0.16937144      0.55500496
  H      2.59773980     -1.49508494      7.22680666
  H     -1.42110996     -1.23830091      7.13534220
  O     -1.98709752      1.72626662      7.10376261
  H     -0.25933372     -0.52248239      8.70267492
  H     -2.17914141      0.03928217      7.60601621
  O      1.89897249      2.37074659      2.67975493
  H      1.25700257     -0.85155508      8.79301542
  H     -3.39436916     -1.81201702      6.77016712
  O     -0.24079099     -1.91546672      6.01820066
  H     -0.39293025     -2.17711077     10.00682912
  H     -4.81187531     -2.27304852      6.37386168
  O     -0.62592481     -4.92278003      3.29858979
  H     -1.66065730     -2.15444018      9.15036669
  H      0.56492293     -4.56396300      7.47744609
  O     -2.09147026     -0.91407462      7.75891429
  H     -1.13568783     -1.88791200      2.79267076
  H     -0.57840467     -3.89580736      8.31302252
  O     -3.89733336     -2.30443238      6.10284661
  H     -0.53137222     -3.25892946      2.44266926
  H      0.29279882      1.61012775      5.01070289
  O     -0.36910275     -4.31950087      7.46870992
  H      3.48300881      0.11812066      0.50440939
  H      1.11800374      2.02964565      6.25512988
  O      1.19522149      1.73434931      5.33948197
  H      1.99085495     -0.00712721      0.90257898
  H     -2.90722428     -1.54758941      4.60148409
  O     -2.10566440     -1.23244584      4.17158749
  H     -0.88741807      3.04645397      1.25547662
  H     -1.37779037     -1.51724792      4.75098343
          69
 Energy    -248.87441339080769     
  O     20.00282366     11.90293199    -18.79197650
  H     20.67578934     12.51785606    -18.44689388
  H     19.37249149     16.64539721    -17.87748244
  O     18.02356918     18.19478947    -14.47852434
  H     20.42001641     11.39647232    -19.48368434
  H     14.90161207     12.92742321    -13.14432791
  O     22.70094208     13.51461360    -15.09658510
  H     18.87744374     17.85133649    -14.18175526
  H     15.31959150     11.50535351    -12.73340504
  O     15.89010340     14.51158987    -13.06368790
  H     18.04775128     18.16763553    -15.44102822
  H     23.30503398     16.90085814    -14.32703158
  O     16.44163376     12.41296195    -16.98697256
  H     22.78169763     14.43459877    -14.78912743
  H     21.90805153     16.35044423    -13.98956067
  O     16.92705354     10.61282540    -12.15685276
  H     23.52472895     13.08256595    -14.88564378
  H     18.91016415     12.94632849    -13.02509233
  O     14.59065763     10.80416307    -15.65916277
  H     15.99507399     15.43105810    -12.78733932
  H     17.82151425     12.24427409    -12.17983831
  O     21.70094570     13.73284414    -17.77649091
  H     16.71403448     14.05301506    -12.84151859
  H     17.73315346     10.01853350    -15.28396437
  O     16.53490766     17.15028020    -12.43386959
  H     15.71777266     11.86363401    -16.66111778
  H     16.20722249      9.88947268    -15.09385976
  O     20.04890832     12.77444361    -14.47259332
  H     17.26209642     11.97226684    -16.72261713
  H     16.13977487     15.85588446    -17.31217350
  O     17.90577779     13.85388799    -18.91541295
  H     17.03646524     10.21864921    -13.04092551
  H     16.73956890     15.52537188    -18.68684040
  O     19.76926949     15.77330715    -17.99683780
  H     16.97860480      9.89816084    -11.52793250
  H     19.86809415     16.35020398    -12.75417616
  O     14.65215580     11.99758944    -13.22755988
  H     14.53146665     11.26042226    -14.79997755
  H     19.74963175     16.07096133    -14.27343088
  O     22.80236336     16.09294026    -14.26968386
  H     13.73235509     10.42742152    -15.83157898
  H     17.47913901     17.50556938    -17.69829025
  O     18.21692626     13.10451864    -12.37029093
  H     22.07522239     13.69359690    -16.88898593
  H     18.12094195     18.90334982    -17.86070241
  O     17.05572800      9.65693828    -14.69728289
  H     21.21136284     14.56351435    -17.84600015
  H     18.66825697     14.79209128    -11.57968241
  O     16.36403077     16.24654778    -18.17100146
  H     16.07849103     17.86139399    -11.99167940
  H     18.03762090     16.20315645    -11.59322341
  O     20.20600735     16.62278546    -13.62007365
  H     16.99304669     17.54633840    -13.19554307
  H     19.26550477     11.26757921    -17.17749205
  O     18.20835338     18.07563271    -17.39417783
  H     20.99778701     12.91337571    -14.57127287
  H     19.30410185     11.63311010    -15.66468213
  O     18.85410541     15.72419609    -11.40554094
  H     19.62406873     13.56268332    -14.85027849
  H     17.96015539     15.04703308    -15.53554740
  O     18.82284367     11.12325089    -16.33239003
  H     17.28113716     13.40097560    -18.33129611
  H     19.27563555     15.26264204    -16.33679664
  O     18.92296479     15.02298813    -15.47070230
  H     18.60159636     13.20253732    -19.07057209
  H     16.19148121     13.97815643    -16.16013841
  O     16.15897554     14.86855205    -15.77987859
  H     19.09597660     15.19995224    -18.39381058
  H     15.93794851     14.77348273    -14.84478009
          69
 Energy    -248.87436845823424     
  O     11.84661343     10.73648531    -14.06433492
  H     12.35779360     10.60007983    -14.87586082
  H     20.78853909      9.77342397    -13.97970252
  O     16.60783302      6.93552817    -14.33848909
  H     12.33843654     11.39405695    -13.56061876
  H     16.00095527     12.25348599    -15.14469552
  O     16.93494485      9.42063856    -10.71943192
  H     15.89568114      6.44600620    -13.90427966
  H     16.58697478     12.26899054    -13.72717599
  O     13.91466108      7.66107321    -17.39866045
  H     17.29487647      7.09319142    -13.67664008
  H     15.79559732      8.55024747    -14.12674947
  O     14.43231909      6.28617864     -9.37227295
  H     16.92200021      8.86812804     -9.92795422
  H     16.16416917     10.02932956    -13.82119723
  O     14.49051586      5.79556568    -12.97546642
  H     16.01416764      9.65825457    -10.90126236
  H     11.37552765      9.12869758    -13.61399258
  O     14.36645842     10.06966531    -11.56311573
  H     13.54373947      7.23414158    -16.60471532
  H     10.20931882      8.13244045    -13.41942802
  O     16.19272818     11.08464661    -16.68342293
  H     13.48540785      7.26155406    -18.15035002
  H     18.21190622      6.26226691    -11.19289843
  O     15.63944318      4.21993147    -10.96953825
  H     13.83224563      6.74170051     -9.97758755
  H     17.61792135      6.28108627     -9.77382538
  O     18.82076416      9.85764348    -16.45857450
  H     14.72159422      5.48865112     -9.83238970
  H     13.41053630      6.18529494    -14.46793131
  O     16.67396493      8.14496750    -16.82980549
  H     14.03558599      6.45406031    -12.43123200
  H     12.23462628      7.16654265    -14.61899318
  O     19.85822929      9.56368722    -13.96872649
  H     14.84680868      5.13673582    -12.36684678
  H     17.49633415     10.60412470    -12.06360557
  O     15.87858113     12.64287903    -14.27052795
  H     14.05155500     10.96801882    -11.71313364
  H     18.46693417     10.61548832    -13.27128881
  O     15.42434909      9.42815920    -13.97514929
  H     14.65163363      9.75781888    -12.43897844
  H     17.89873589      8.29135984    -11.83639986
  O     11.16054501      8.19998648    -13.41354507
  H     16.43438403     10.14891371    -16.65315713
  H     19.02977704      8.24917555    -12.90017376
  O     17.87193016      5.68948614    -10.49325924
  H     15.22686167     11.05061804    -16.68914742
  H     16.78295749      7.60063095     -7.68893840
  O     12.86529465      6.63837268    -15.12318260
  H     16.48791133      4.67859900    -10.83202525
  H     15.85694491      7.13767008     -8.83983771
  O     17.64899413     10.99843486    -12.93241140
  H     15.79748663      3.29303753    -10.81342358
  H     12.30395360      7.76318454    -12.01154774
  O     18.42605046      7.69618427    -12.38946514
  H     18.25007275      9.11718816    -16.71425705
  H     13.47067704      8.51824856    -11.34352148
  O     16.71522235      7.55312033     -8.63867689
  H     18.28819966     10.64272017    -16.62103794
  H     13.41976983     13.43209470    -12.42699982
  O     13.05652110      7.64661115    -11.41800434
  H     15.79407977      7.96634119    -17.18161706
  H     14.39843630     12.61336548    -13.29490930
  O     13.63228515     12.54297492    -12.69846164
  H     16.73228274      7.62355254    -16.01559805
  H     13.62567024      9.34983023    -16.62265040
  O     13.65469427     10.13083446    -16.05674327
  H     19.54421730      9.63720189    -14.88722939
  H     14.25046708      9.90540402    -15.32367877
          69
 Ord_Energy   -248.873978    
 O   -1.56005621       2.47184896       5.54770422    
 H   -1.96940815       3.14509916       6.10100317    
 H   -1.25505912       2.93996596       4.75380468    
 O   -4.43318653       2.47243953      0.771042645    
 H   -4.21594477       3.02766824       1.54025376    
 H   -3.93438625       1.65012407      0.881435096    
 O   -6.77631474       1.77425015       2.30174184    
 H   -6.00448751       1.85909712       1.72929358    
 H   -6.46446753       1.41163254       3.13908219    
 O   -2.44775677       6.61642170       4.85667753    
 H   -3.23022580       6.77524805       4.31060028    
 H   -1.70377803       6.63828754       4.24380493    
 O   -4.69747400       7.13784552      0.296200633    
 H   -5.18090010       6.29965401      0.182405606    
 H   -5.06202078       7.75254631     -0.334322721    
 O   -5.82450581      0.977654696       4.88391972    
 H   -5.61258984       1.88849616       5.15763235    
 H   -6.39480877      0.610997200       5.55470800    
 O  -0.971339762       3.76827264       3.23468518    
 H  -0.675144553       4.66941404       3.05628562    
 H  -0.718553126       3.19882250       2.49578094    
 O   -6.75254917       5.40172386       4.35888815    
 H   -6.09996653       5.98709106       3.94982100    
 H   -7.26862526       5.03611279       3.62941885    
 O    1.03439498     -0.196885854       2.37427020    
 H   0.594675660     -0.118648283       3.24034405    
 H    1.96079564     -0.338286281       2.54882073    
 O  -0.482537329       6.46265221       2.77647829    
 H   -1.02442944       6.47044659       1.96454346    
 H   0.276580036       7.01240826       2.60560417    
 O   -1.97204876       6.31668949      0.559283733    
 H   -1.95789266       5.43392754      0.161248490    
 H   -2.85933900       6.66395235      0.418779790    
 O   -1.03103971      -1.69359577       1.13708293    
 H  -0.240650147      -1.28103077       1.51543128    
 H  -0.718798995      -2.33783937      0.506099999    
 O   -2.91285253       4.70137548       6.71661758    
 H   -2.84925961       5.10000992       7.58039713    
 H   -2.71255827       5.40360069       6.07110214    
 O   -2.81625557      0.379912555       1.52110958    
 H   -2.33365822     -0.431348324       1.31208766    
 H   -2.95684528      0.395057499       2.47985244    
 O   -8.01876259       4.17409801       2.12063122    
 H   -8.94544220       4.06696987       1.92209959    
 H   -7.64696598       3.27843356       2.21323895    
 O   -4.58351326       6.59992456       3.05316257    
 H   -4.28945875       5.68427277       2.92603016    
 H   -4.65653849       6.97509432       2.16840363    
 O   -3.13245797      0.486434996       4.26071692    
 H   -4.06392384      0.521261692       4.50764227    
 H   -2.68995953       1.20971358       4.72803450    
 O  -0.360708416       3.47639918E-02   4.69607258    
 H   -1.27178371     -0.227472633       4.51383495    
 H  -0.463305652      0.867842376       5.17315578    
 O  -0.502149463       1.92064667       1.23079240    
 H   -1.33234954       1.42477334       1.29891896    
 H   0.185257599       1.30364978       1.50442016    
 O   -6.02358770       4.77377558      0.158483192    
 H   -5.52672052       3.94732785      0.171299145    
 H   -6.74762154       4.65690899      0.786362827    
 O   -5.11185455       3.52588463       5.42919254    
 H   -5.75140572       4.20346308       5.15455627    
 H   -4.43591118       3.94123483       5.97752476    
 O   -2.03209329       3.70972443     -0.384409845    
 H   -1.36670876       3.12732649       2.43934011E-03
 H   -2.88088822       3.30147886     -0.182260498    
 O   -3.75635219       3.92540288       2.97317123    
 H   -4.17335129       3.69686913       3.81312966    
 H   -2.79762387       3.90756822       3.09245920    
          69
 Energy    -248.87391809999610     
  O     11.28636635      9.29758393     -9.22180110
  H     11.93822424      9.59098272     -8.57534707
  H     13.15164091     12.34950891    -14.26068118
  O     13.13354631      9.39332968    -17.37081120
  H     11.08540200     10.07911741     -9.75612486
  H     17.62458109     10.33097106    -10.74033597
  O     11.74210687      7.27988415    -10.97636159
  H     12.67085150     10.23614003    -17.21360478
  H     18.68141305     10.05985681    -11.82980130
  O     14.31585044      8.81062126    -14.88579655
  H     13.43919156      9.41313110    -18.27359841
  H     16.61081233      8.91639545    -12.56332045
  O     11.67945047     11.63078171    -16.84058331
  H     11.23820529      6.50898268    -10.72940000
  H     15.60431655      8.33830451    -13.59865392
  O     11.90724807      8.41550934    -13.55743760
  H     11.53678795      7.97239044    -10.32225484
  H     11.88625619     13.24439910    -11.41236675
  O     15.46839705      8.71140093     -8.19891712
  H     13.50845288      8.61189141    -14.38651134
  H     13.19334684     14.06584361    -11.46368328
  O     13.90642578     10.58783934    -11.15632949
  H     14.04189668      8.94785124    -15.80084300
  H     15.02608129      7.82017796    -11.40732372
  O     13.28845131     10.42240223     -7.47069777
  H     10.78621124     11.31331483    -16.66076963
  H     13.60083817      7.50780268    -10.80261945
  O     15.03604047     14.19353680    -10.76714983
  H     11.91393552     12.20304542    -16.09757631
  H     15.86182519     12.36465694    -13.11177907
  O     11.26472854     11.45420605    -10.98590903
  H     11.45766170      9.27147393    -13.50855833
  H     17.05093210     11.98903398    -12.23097944
  O     12.33040822     12.84858095    -14.38800299
  H     11.80843490      7.98736825    -12.69964900
  H     11.15085079     11.56024459    -13.88779015
  O     17.76559887     10.29912192    -11.69892942
  H     14.70639395      9.14951172     -7.80254888
  H      9.94225331     10.70223233    -14.33354702
  O     16.08516931      8.13943431    -12.78426388
  H     15.14229125      8.29493748     -9.01160079
  H     15.81564302     11.69374466     -8.96289539
  O     12.31803774     13.98501351    -11.85765971
  H     14.29316725     11.10054848    -10.43678309
  H     14.96984191     12.89597142     -9.50113535
  O     14.46685019      7.88788673    -10.61762402
  H     14.07423614      9.65591351    -10.96619691
  H     14.53103024     10.49793567    -14.25187827
  O     16.51562500     12.74237882    -12.50512455
  H     13.01301751     10.83130433     -6.65324619
  H     14.30268114     11.07926584    -12.83607983
  O     10.54635195     10.86010519    -13.59860968
  H     13.78792965     11.09549377     -7.96128901
  H      9.73688724      9.44523383    -16.13101637
  O     14.92873316     12.07527617     -8.99075597
  H     15.59864597     13.72894892    -11.41321223
  H      8.38858671     10.15566283    -16.40622885
  O     14.51495786     11.32228514    -13.75074874
  H     15.31635322     15.10519489    -10.76326282
  H     17.98252580     10.59370324     -8.27014479
  O      9.25463842     10.28570512    -16.03063610
  H     12.17519378     11.12946584    -11.06877358
  H     16.70480064      9.80452588     -8.64969518
  O     17.30777709     10.51488509     -8.93948665
  H     10.83088114     11.25015795    -11.82615142
  H     11.18181131      8.01132214    -15.25827772
  O     10.86677358      8.09592102    -16.16857589
  H     12.25459453     13.41924444    -13.61077710
  H     11.63210927      8.38580928    -16.68083689
          69
 Energy    -248.87376602249105     
  O     15.26115853      5.50371216    -14.00059564
  H     14.50642962      6.10075314    -13.94295209
  H     16.45935904      5.55767694    -12.74217355
  O     18.43069309     13.41290620    -11.36598328
  H     15.44208602      5.37115694    -14.93895061
  H     21.90991289      9.87088548    -16.66430124
  O     20.80436983      8.49819109    -14.05540847
  H     17.54251913     13.34240211    -10.99275839
  H     21.01122768      9.17995583    -15.60956978
  O     15.52844319      7.93219031    -17.27950670
  H     18.36463326     13.07791448    -12.27058272
  H     17.64321522      9.37790996    -15.38539338
  O     17.18851535     10.47386068     -9.34457304
  H     20.39099537      9.04013114    -13.37027036
  H     16.58252422      8.33220542    -15.81999414
  O     15.27761075      9.17341335    -13.10348138
  H     20.26231106      7.69880016    -14.09961879
  H     16.41140035      8.65315372    -11.79474207
  O     18.09936125     11.89749486    -13.73698662
  H     14.64731688      8.19884838    -16.97967096
  H     17.18807648      7.38956159    -11.36975370
  O     18.79628815      6.57875684    -14.18471109
  H     15.58584911      6.97014121    -17.21340229
  H     12.79882613      9.55977185    -16.06741130
  O     13.24206272      7.50673969    -13.66251131
  H     17.12721915      9.66473842     -9.86883751
  H     13.05503361      8.22980163    -15.34712586
  O     18.49926153      5.57446601    -16.77699518
  H     18.11103166     10.75483298     -9.39385027
  H     19.38028659     12.28039791    -10.42645895
  O     15.85849187      5.21020236    -16.78456668
  H     15.92569821      8.98292410    -13.79807353
  H     20.54900775     11.86284890     -9.49903676
  O     17.16346639      5.63709232    -12.07290019
  H     15.21958585     10.13683744    -13.01521776
  H     18.56860187      9.29120836    -11.86691473
  O     21.01689303      9.58346324    -16.49723344
  H     18.24015993     11.69127475    -14.66878156
  H     19.57465919     10.38096661    -11.40712178
  O     17.11811345      8.63030275    -15.07304698
  H     18.50052535     11.17416512    -13.23279562
  H     16.28745779     11.88582338     -9.87721873
  O     17.12109240      8.33902778    -11.21551058
  H     18.20925221      7.29319916    -14.47794590
  H     15.37849631     13.09056156     -9.53919222
  O     13.10802505      8.66711006    -16.21003114
  H     18.37100023      6.17698298    -13.41962505
  H     18.73867981      8.42232170    -18.38378787
  O     19.78645760     11.52655949     -9.96085265
  H     13.93780000      8.13086484    -13.38395217
  H     20.06641850      8.35172502    -17.61640822
  O     19.26902922      9.88200848    -12.17523057
  H     12.62273613      7.43787782    -12.94066959
  H     16.30373453     11.94689657    -13.26583420
  O     15.89640807     12.70130029    -10.23832953
  H     18.72710258      5.78735416    -15.86240357
  H     15.45844178     12.20303863    -12.00036469
  O     19.44195113      7.81758967    -18.12254795
  H     18.86551997      6.28940367    -17.31707956
  H     18.05108380     10.56257933    -17.10249930
  O     15.41194963     11.85681770    -12.90017431
  H     15.62043433      4.43503060    -17.28536563
  H     19.41180842     10.45934656    -16.36643404
  O     18.50153005     10.77540415    -16.27548161
  H     16.83218927      5.27789900    -16.81196301
  H     16.90100151      9.93699141    -19.40222873
  O     17.23628159      9.65536066    -18.55488685
  H     17.20646371      4.80017472    -11.61808755
  H     16.57906578      9.04287881    -18.18288359
          69
 Energy    -248.87271749334337     
  O     -3.84076522      1.54141139      4.61564368
  H     -4.12900703      2.39831909      4.95768178
  H     -3.87237167      2.28754660      0.72738440
  O      1.00541429      4.00136710      0.84988392
  H     -4.43097360      0.85929301      4.96172324
  H     -5.09831371      3.95389927      0.63120058
  O     -1.18153733     -0.40420561      1.53198104
  H      0.98542789      3.21809922      0.27117171
  H     -6.50821075      3.45374660      0.91769223
  O     -5.37029889      1.35806156     -1.51103342
  H      1.60894213      4.62324267      0.45253553
  H      0.01260508      1.40284284     -0.84769251
  O     -3.90204431     -0.91444924     -1.52107956
  H     -1.36963012      0.05063368      0.69769934
  H      1.22770895      0.99096860      0.00967581
  O     -4.53872643      1.18376619      1.93076744
  H     -0.22225858     -0.50428738      1.57317416
  H     -4.50380939      4.74500879      6.04569244
  O     -6.94175106      3.53247861      3.79605274
  H     -6.08708219      1.40020263     -0.86194044
  H     -4.29206708      4.59705583      4.51794718
  O     -8.36685140     -0.48405186      1.97806944
  H     -4.75158426      2.04862285     -1.24781453
  H     -1.58931893      3.24484748      2.34851317
  O     -1.39896713      1.73846387      3.34736559
  H     -4.50197268     -0.14840951     -1.57475601
  H     -0.75439445      4.16949981      1.42923719
  O     -7.00494203      1.62652209      0.73540001
  H     -4.08576783     -1.46446792     -2.27785263
  H     -3.07984346      4.94149142      2.54145234
  O     -6.11563608     -1.79270946      2.80335693
  H     -4.35167431      1.36361495      2.85995180
  H     -4.61379405      5.03925035      2.33060343
  O     -3.50443004      2.90504205      0.07130562
  H     -4.31422775      0.26156674      1.75388403
  H     -5.92353004     -0.83133458      6.13261000
  O     -5.89869983      4.17817382      1.12090991
  H     -6.64444395      3.82339287      2.92780100
  H     -6.50003677      0.10858152      5.04304809
  O      0.89507927      1.68424821     -0.57376402
  H     -6.24396641      3.78978366      4.41047113
  H      1.35771175      2.86225213      2.39503996
  O     -4.59656709      4.13405758      5.32013128
  H     -7.58538681     -1.01144286      2.22361748
  H      0.45170373      2.03769497      3.32819303
  O     -1.64667277      4.01345231      1.76075691
  H     -9.08253996     -1.09905731      1.84316479
  H      2.40008469     -0.64927903      1.73379274
  O     -3.90391645      5.23014563      2.95509035
  H     -1.38498067      0.96787436      2.76345907
  H      1.62091898      0.63226076      2.11935682
  O     -5.71161687     -0.40312394      5.30759694
  H     -2.17413874      1.64647543      3.91666332
  H     -7.59167827      1.89793755      4.16800446
  O      1.36266112      2.12067730      3.01238239
  H     -6.19442002      1.47492473      1.24781862
  H     -8.15909983      0.57223560      3.59255457
  O      1.61682773     -0.14524071      1.53192582
  H     -7.63324005      0.96790805      1.05225948
  H     -3.85258858     -1.38026935      0.30726072
  O     -7.81378638      0.98182922      4.39306841
  H     -5.88372334     -1.41968300      3.66274463
  H     -2.83576223     -1.26312987      1.47339596
  O     -3.76718465     -1.42494049      1.26890503
  H     -5.29812637     -1.82861531      2.29121857
  H     -2.33523957      1.63287626     -0.63910686
  O     -1.79591179      0.86931254     -0.88435006
  H     -2.82168414      3.40992878      0.53537287
  H     -2.40227434      0.21099173     -1.24569125
          69
 Energy    -248.87258659840643     
  O     14.48825415     11.76342398     -8.52743320
  H     14.47814490     11.67741153     -7.57689716
  H      9.70921797     12.80635197    -11.81589350
  O     10.75851564     11.11270894    -14.30118016
  H     13.56207621     11.75128764     -8.81810444
  H     15.18115623     12.88176313    -15.77463841
  O     15.03100186      9.55833441    -10.30636227
  H     10.54522219     11.86807669    -13.73048978
  H     16.70359572     12.95908446    -15.63557601
  O     17.67642502     14.04300374    -14.39895268
  H     10.96104521     11.47807269    -15.17084347
  H     13.18300481     14.52137592    -11.19690992
  O     11.98069474     11.65885785     -9.68806294
  H     14.96831103     10.27464386     -9.66444555
  H     13.21117728     13.15195189    -11.90860016
  O     12.35591743      9.31734676    -11.16382072
  H     14.12103219      9.31706929    -10.52312220
  H     13.96309189     11.30849006    -13.23551199
  O     13.11803113      9.82154348    -13.74450252
  H     18.59939906     14.27835856    -14.35715887
  H     15.16709074     12.22507699    -12.79646776
  O     14.58726104     15.75312614    -11.14667170
  H     17.50082040     13.45375256    -13.64323327
  H     11.25841682     12.60730449    -17.45213396
  O      9.74230381      9.55146830    -12.03175170
  H     12.12971588     10.85757674    -10.21340819
  H     12.49023980     11.78700200    -17.00041074
  O     13.66631739     13.75662049    -15.16853731
  H     12.18924087     12.42557216    -10.24613165
  H     16.29558545      9.56768087    -11.49033878
  O     13.96518677     10.93745159    -17.40070587
  H     12.73697174      9.41840859    -12.04910686
  H     17.68872988      9.01035237    -11.85972365
  O     10.18965396     13.16666075    -12.57079438
  H     11.40796908      9.20992354    -11.32691029
  H     16.64695611      9.76848576    -13.99999835
  O     15.99662020     12.40480483    -15.98622960
  H     13.44182964      9.31267446    -14.49515818
  H     16.36693457     10.71158282    -15.21357868
  O     12.66318293     13.72469319    -11.34785201
  H     12.26788649     10.22207061    -13.98636142
  H     14.46892972      7.62164101    -16.18069203
  O     14.21948300     12.20226616    -12.97005258
  H     14.85838998     15.71948580    -12.08204177
  H     15.15198450      8.88952388    -15.60096988
  O     11.72775493     12.30145270    -16.68027172
  H     14.58260557     16.67318123    -10.89730310
  H     16.76022164     12.81100580    -11.49467310
  O     17.02573489      9.64022670    -12.13060376
  H      9.39205844     10.25068931    -11.46652164
  H     17.13725954     11.46365127    -12.20995140
  O     16.45549847      9.78750661    -14.94432827
  H      9.93339942      9.96939015    -12.88075016
  H      8.67561907     11.90109916     -9.48939600
  O     14.30949722      8.52895986    -15.93754360
  H     13.76812626     13.20579567    -14.37605808
  H     10.15492193     11.73450897     -9.90073917
  O     16.98344409     12.40591881    -12.34823649
  H     12.91276536     13.40821270    -15.65693258
  H     14.66143228     15.10835121    -14.32042756
  O      9.24658171     11.76771111    -10.24170206
  H     14.76631199     11.39656529    -17.11984504
  H     16.16465832     15.17695312    -14.00204710
  O     15.31017204     15.55004228    -13.75601220
  H     14.02473444     10.05055749    -17.02352348
  H     15.58498168     14.34411123    -10.32799857
  O     16.10114604     13.57000981    -10.07030496
  H     11.01103652     13.52427211    -12.20824168
  H     15.53596411     13.02459270     -9.51030681
          69
 Energy    -248.87246374800864     
  O     12.11198098     13.08181658    -12.24036239
  H     11.30337571     13.58099938    -12.16707721
  H     12.88147836      8.31039501    -14.38400327
  O     17.61637665     11.58385985    -11.72484841
  H     11.93145779     12.19430483    -11.87866293
  H     15.43188321      9.65268763    -13.15136435
  O     12.02615504      8.16812234    -12.64631829
  H     17.45585480     12.50886341    -11.50638436
  H     14.80194394     11.08439282    -13.30656367
  O     14.37231178      7.37499094    -11.51362831
  H     16.79452738     11.24252153    -12.11051390
  H     13.27458423     11.09604922    -17.12403963
  O     17.96326886      6.75946633    -12.38327052
  H     11.37284407      7.47828880    -12.55415375
  H     13.77732843     11.35932762    -15.68399437
  O     13.89497803     12.35929599    -14.26515659
  H     12.81946261      7.86055009    -12.17175769
  H     16.98834314      8.60528673     -9.84464640
  O     18.06742758      8.93634338    -15.19898989
  H     14.92205462      7.64746728    -10.77074856
  H     16.34388188      7.86948155     -8.65496707
  O     18.44623073      9.10083962    -10.79614590
  H     14.93672980      7.44164046    -12.29426188
  H     20.56684476      8.38293501    -13.13558534
  O     16.67003747     10.85775438    -16.73532068
  H     17.16776212      6.99033802    -12.87900543
  H     20.33228260      9.89613483    -13.03887151
  O     19.87950131      6.96142149    -14.30396364
  H     18.11457898      7.50807231    -11.79155021
  H     16.80631397     13.71508123    -14.66263082
  O     18.10147951     12.96682182    -15.82159097
  H     14.62769620     12.99688954    -14.25688612
  H     16.37931760     14.14701000    -13.23267827
  O     13.50488322      8.23168404    -15.11671018
  H     13.22729161     12.65979253    -13.63690021
  H     15.91252561     13.97376190    -11.02098300
  O     15.30971846     10.50668178    -12.72300699
  H     18.44444261      9.70475850    -14.74481708
  H     17.07808223     14.98101393    -10.86079075
  O     13.80702995     10.72718551    -16.42342902
  H     18.71383637      8.22702702    -15.09789365
  H     13.61267332     13.39716248    -11.06254916
  O     16.13765104      8.38048304     -9.43433073
  H     19.30661193      9.03624784    -11.23635017
  H     14.43611426     12.43739277    -10.18301533
  O     20.61578332      9.12801182    -12.52532650
  H     18.13912016      9.99730165    -10.99355847
  H     18.97753218     11.84937291    -14.58923858
  O     16.05144308     13.98422460    -14.12511230
  H     15.71674634     10.73089782    -16.67656967
  H     18.68874617     11.36097498    -13.15020013
  O     16.78614423     14.23034718    -11.37016712
  H     17.08843753     10.07356359    -16.35657805
  H     12.64633157     10.52344459    -10.65980323
  O     14.39310893     13.35039318    -10.49864523
  H     19.23820552      6.76338644    -13.59752704
  H     11.82585188      9.80367129    -11.74847700
  O     19.19755652     11.16139346    -13.94989078
  H     20.29395218      6.13612748    -14.53957767
  H     14.95977723      9.89201575     -9.65622672
  O     11.86007354     10.60782282    -11.21642768
  H     18.50376619     13.43384967    -16.54917430
  H     14.68268787     10.51370860    -11.03288278
  O     14.43437871     10.56800972    -10.09577720
  H     17.56464507     12.25139354    -16.20933636
  H     15.07152840      7.93866725    -14.41608148
  O     15.86565971      7.95378350    -13.85867139
  H     13.49848254      9.06874271    -15.59799611
  H     16.60769265      8.29085651    -14.38065275
          69
 Ord_Energy   -248.872421    
 O    2.60230923       10.9334230      -9.44247055    
 H    3.22800756       11.6688852      -9.42278576    
 H    1.73677504       11.3156824      -9.24034119    
 O    1.12365627       6.79176188      -9.23953819    
 H    1.42923558       7.46193790      -8.60908508    
 H   0.288534909       6.43073368      -8.91987228    
 O   -2.40955329       8.62008286      -8.33090019    
 H   -2.08791494       7.71187878      -8.38253212    
 H   -1.76556134       9.12539482      -7.82067871    
 O    3.53513718       7.85506153      -12.9402781    
 H    3.27648401       7.13625908      -12.3349800    
 H    4.39498949       7.62846947      -13.2843227    
 O   -1.14793539       10.8318806      -10.8858604    
 H  -0.659827828       9.99413681      -10.9426775    
 H   -2.07866454       10.6046066      -10.7765789    
 O    2.71383142       10.4347944      -12.1975412    
 H    3.05380964       9.56236935      -12.4271088    
 H    2.65455317       10.4824982      -11.2324228    
 O   -1.49708509       5.94429350      -8.66974926    
 H   -1.81383336       5.20070124      -8.16375542    
 H   -1.69140851       5.75080538      -9.60486794    
 O  -0.876937807       9.34704208      -14.4727240    
 H  -0.560076416       10.1820164      -14.1066446    
 H   -1.57894790       9.02864456      -13.8909512    
 O   -1.93486679       5.50161171      -11.3063288    
 H   -2.30042100       6.26695251      -11.7676983    
 H   -1.17406201       5.21327782      -11.8262091    
 O    4.11473799       13.3002319      -9.73654366    
 H    4.13138771       13.2369385      -10.7086287    
 H    4.94762182       13.6781235      -9.46883965    
 O    1.24877071       14.1502132      -12.8063879    
 H   0.884304643       14.7479906      -13.4541626    
 H   0.855217338       13.2784529      -12.9789276    
 O   -3.68360949       9.73409176      -10.4227371    
 H   -3.28574085       9.31475163      -9.63646126    
 H   -4.55843973       10.0176306      -10.1741877    
 O   0.347304463       4.89119387      -12.9051905    
 H   0.490982741       5.75980949      -13.3213625    
 H   0.338659257       4.24871492      -13.6106043    
 O    1.86126733       8.87100697      -7.65738869    
 H    2.27751780       9.52774143      -8.23158169    
 H    1.07595778       9.29739666      -7.29361677    
 O    2.60563779       5.84514570      -11.3716097    
 H    2.19976783       6.11919022      -10.5362844    
 H    1.92218149       5.34900188      -11.8367624    
 O   0.324953794       11.5724411      -13.0802031    
 H    1.15433979       11.1262646      -12.8502855    
 H  -0.278981388       11.4274778      -12.3367767    
 O   0.895388007       7.39024353      -13.8235559    
 H   0.354779750       8.09403133      -14.2124290    
 H    1.81721437       7.66740942      -13.7759323    
 O   -2.47148466       8.07388878      -12.3779011    
 H   -3.05955100       8.59733200      -11.8196039    
 H   -1.60450482       8.11559296      -11.9449825    
 O   0.110582203       12.1150608      -8.83568382    
 H  -0.399362296       11.7371111      -9.56800175    
 H   0.469423741       12.9626074      -9.13610840    
 O    7.63897896E-02   8.40380669      -11.2563658    
 H   0.436137646       7.85998631      -10.5444632    
 H   0.470442981       8.09609318      -12.0808735    
 O    1.40104687       14.2655010      -9.92764282    
 H    2.33538556       14.0771160      -9.77537823    
 H    1.29716337       14.3177624      -10.8857718    
 O    3.84412193       13.0002346      -12.4202538    
 H    3.05898333       13.5079679      -12.6605215    
 H    3.57435012       12.0720100      -12.4663048    
 O  -0.531786442       10.2708349      -6.93002367    
 H  -0.696532309       10.6654673      -6.07697105    
 H  -0.324798554       11.0008917      -7.53884745    
          69
 Energy    -248.87161658567885     
  O     14.64538863      9.68497090    -11.46655818
  H     15.38231081      9.54242700    -10.85608996
  H     17.00513435      6.45812552     -6.00971160
  O     16.66431403      4.92396355    -11.18234906
  H     13.88772187      9.91859799    -10.90944711
  H     13.72265990      8.28925097    -12.15310645
  O     13.89929506      5.30199971    -11.12023510
  H     17.21907431      5.67478529    -10.92656090
  H     12.26790065      7.74168780    -12.20149935
  O     18.48370698      7.78855042    -13.45993749
  H     16.70315290      4.91144491    -12.15025070
  H     18.47047303      7.39383115    -11.65385342
  O     16.19217316      9.19844693    -13.79832448
  H     13.65176279      6.03251921    -11.70269253
  H     17.68102305      7.86724210    -10.40196829
  O     17.77240382      9.29468657     -7.10623505
  H     14.84610765      5.12876500    -11.22188881
  H     17.44911933      6.18227298    -13.82230683
  O     16.19493098      4.47389843     -8.40691641
  H     19.17775963      8.14576072    -14.00724925
  H     16.00170505      5.92035541    -14.25710986
  O     16.51916722      8.97174142     -9.57856023
  H     17.70859626      8.36744160    -13.57456335
  H     13.43845217      6.21219974     -4.56276864
  O     14.86120956      6.87440973     -9.01865510
  H     15.66860599      9.52259516    -13.05413424
  H     13.73734062      5.65064906     -5.97138011
  O     12.81682297      8.03598873     -7.59160473
  H     15.63149019      8.57043516    -14.27057174
  H     11.82129883      3.27536567     -9.75457685
  O     10.88688772      6.61631028     -9.07676805
  H     17.95106405     10.00567878     -6.49723245
  H     12.77519370      4.45552288    -10.05078633
  O     16.49053983      7.26090963     -5.86463099
  H     17.26597287      8.62199699     -6.61491986
  H     11.77016125      9.41477687    -10.27721911
  O     13.16809101      7.58026442    -12.51252271
  H     16.44785797      4.43258261     -9.33770426
  H     12.54551099      9.42376635     -8.94841229
  O     18.27309759      7.17629950    -10.73433081
  H     16.99068619      4.61085758     -7.87619472
  H     18.93978736      4.67540158     -6.21938123
  O     16.77570707      5.49198677    -13.87272644
  H     16.93871029      9.25315739     -8.75671764
  H     18.75872917      5.83938510     -7.22512391
  O     13.78519285      6.45139894     -5.41829650
  H     15.90870491      8.25366594     -9.34484309
  H     13.12870313      4.17405990     -7.76319705
  O     12.15007777      4.09660773     -9.39745493
  H     15.35545430      6.15831315     -8.60035915
  H     14.63521900      4.18823294     -7.46832130
  O     12.46100772      9.88250541     -9.79345104
  H     14.42409820      6.46599569     -9.77587406
  H      9.80755017      8.30722982    -11.51471764
  O     18.28330077      5.16338060     -6.70841367
  H     12.97802386      7.68931212     -6.70760679
  H     10.70760361      7.53766296    -10.51665951
  O     13.76795551      4.27786777     -7.04881464
  H     13.54751427      7.67772789     -8.11960790
  H     18.99191537      7.96363195     -7.81991565
  O     10.71653710      8.11489450    -11.30234545
  H     11.46860021      7.08975048     -8.46652115
  H     19.14739584      7.10845163     -9.09764613
  O     19.38446309      7.15052725     -8.16086754
  H     11.21878559      5.71219699     -9.12706741
  H     13.95916359      7.21761267    -14.06213357
  O     14.54993822      7.07810824    -14.82117833
  H     15.58158949      6.99500856     -5.68347656
  H     13.99448995      7.01343674    -15.59399191
          69
 Energy    -248.87152717379897     
  O      2.73041778      1.73312278      1.81321781
  H      1.94013949      2.00008726      2.29977560
  H      0.42336431     -4.53010517      1.76543387
  O      2.19466101      2.51470069     -0.72688823
  H      2.95949276      0.84557419      2.11249442
  H     -0.78464410     -4.42730881      3.68555045
  O     -0.45504731     -1.54468288      4.88502376
  H      2.46581767      2.24008072      0.16795976
  H     -1.19174216     -3.17910152      4.49088612
  O     -0.43566875     -3.96129756     -2.49662639
  H      2.87322340      3.09783903     -1.05533190
  H     -2.59948403      0.23708215      0.33039286
  O     -2.88259727     -0.49810705     -3.26937956
  H     -1.15282524     -1.13829211      5.41746910
  H     -2.93289343     -1.18430341      0.86606871
  O     -0.17157581     -1.45683271     -3.48357386
  H     -0.47010236     -1.07529286      4.03770668
  H     -3.21019496     -2.98506817     -1.19913310
  O      0.16239121      2.52426997      2.77538876
  H     -0.13779102     -4.59795540     -3.14077883
  H     -2.30916026     -3.43408541     -2.35623263
  O     -3.95463762     -3.69414961      3.07426964
  H     -0.27321399     -3.07978444     -2.87939380
  H     -0.31280566      0.77772744      2.66124369
  O     -1.76811828      0.96447743     -1.13900117
  H     -3.05964756     -1.37080498     -2.87411615
  H     -1.40358464     -0.17027914      2.07234033
  O      0.89743474      0.15829653     -1.49127483
  H     -3.56257813     -0.34837828     -3.92045766
  H      0.34902269     -2.89236505      0.41246878
  O     -4.09025412     -0.86877783      3.62048883
  H     -1.05176607     -1.07164610     -3.57059323
  H     -0.20402227     -3.87577001     -0.66411064
  O      0.73555381     -4.85827816      2.62485006
  H      0.31307344     -0.87401404     -2.88194478
  H      1.20662785     -2.25766236      4.49183690
  O     -1.52415362     -4.02183346      4.15101821
  H     -0.12868268      2.80440140      1.88862829
  H      1.62991734     -3.43135839      3.58625860
  O     -2.90341673     -0.24717598      1.10899834
  H     -0.18574149      3.15527786      3.39933880
  H      0.56662307     -0.94409441      1.37829588
  O     -3.12967226     -2.96566445     -2.16286385
  H     -3.09711846     -3.85553840      3.51031573
  H      2.05298153     -1.33055717      1.21416680
  O     -0.53320653     -0.14755894      2.49384346
  H     -4.56089965     -4.35331677      3.39985198
  H     -3.31476834     -0.19994400      6.64466691
  O     -0.15557175     -3.71083323      0.28613320
  H     -2.24676159      0.59114062     -1.88954506
  H     -3.23084852     -0.48237103      5.13557191
  O      1.96495023     -2.64502799      4.03249750
  H     -0.85164004      0.66833338     -1.23780079
  H      4.31801257     -1.23414781      2.51393665
  O      1.19472126     -1.37517258      0.77694454
  H      1.40891912      0.96517248     -1.35615497
  H      2.92096013     -1.55505056      3.09090269
  O     -2.69501762     -0.35204750      5.93678513
  H      1.05442739     -0.40649865     -0.72084997
  H     -3.28756640     -3.31112647      1.41225786
  O      3.39806983     -0.99056872      2.45549274
  H     -3.81133619     -0.49383553      2.77603557
  H     -1.94741082     -3.27299261      0.60656585
  O     -2.86762405     -2.97774006      0.60894930
  H     -4.14458319     -1.82128375      3.47561156
  H     -1.04964061      2.50268904     -0.27497974
  O     -0.46360432      3.10357700      0.20275694
  H      1.07444148     -5.73767131      2.47654171
  H      0.40040694      3.03142658     -0.22238673
          69
 Ord_Energy   -248.871506    
 O   -1.92397010     -0.141477123      -1.84046905E-02
 H   -2.02132511      -1.06832778     -0.222421616    
 H   -2.76228499      0.148643017      0.376575768    
 O   -6.79883909       1.95422769       1.12936723    
 H   -7.42455292       1.38203311      0.691788375    
 H   -5.93602991       1.51216960       1.08263004    
 O  -0.253730655       1.21647859       1.83359587    
 H  -0.730136275      0.652148187       1.21587193    
 H  -0.510382473      0.960149586       2.73270941    
 O   -5.80330801       4.61090469       1.01972651    
 H   -5.59942436       4.72880745       1.96050477    
 H   -6.29185486       3.78262424      0.950362504    
 O    1.85196340       2.98806381       1.45740724    
 H    1.67428958       3.28774643      0.560010672    
 H    1.26612031       2.22843122       1.58945835    
 O    4.85987812E-02   5.86267757      0.534344673    
 H  -0.824131548       6.23678780      0.328334272    
 H   0.332196772       5.28064919     -0.180509418    
 O   -2.07428908       6.98334312       3.40007329    
 H   -1.11628234       7.09842730       3.35711932    
 H   -2.22374582       6.10494423       3.76949835    
 O   -6.43550968       2.43087482       3.98781180    
 H   -6.75447321       2.26261997       3.09400773    
 H   -6.20383596       3.37010717       4.01322603    
 O   -2.55914855       4.22914267       4.12911415    
 H   -2.16410613       4.08241224       3.25256872    
 H   -1.89597762       3.96343160       4.78046465    
 O  -0.419326037       3.27323294       5.60640860    
 H   0.248430565       3.62767935       4.98952866    
 H   -5.75328097E-02   3.35653496       6.48426008    
 O   -5.24714899       4.98893690       3.71213365    
 H   -5.24642277       5.95688772       3.67579865    
 H   -4.34863710       4.72513533       3.94768643    
 O   0.867653787       3.82857633      -1.18380392    
 H    9.32982564E-02   3.25664973      -1.32379198    
 H    1.37678444       3.79735637      -1.98962891    
 O   -3.47055674       3.46189165      -6.22707717E-02
 H   -2.75984359       3.68192267      0.560470462    
 H   -4.23927689       3.98347306      0.194460526    
 O   -1.41898978       3.75099921       1.73349309    
 H  -0.802197397       4.42074394       1.41570842    
 H  -0.963062763       2.89809465       1.74149847    
 O   -5.27283478       7.24399471      0.391453624    
 H   -5.56219673       6.32606125      0.521912515    
 H   -5.89404964       7.64446640     -0.211625725    
 O   -1.36409116       2.28250313      -1.50842547    
 H   -1.45355141       1.39281642      -1.14910412    
 H   -2.15276361       2.75605965      -1.21095872    
 O   -4.14365673       1.06455076       1.12645733    
 H   -3.90453029       1.88876736      0.673398912    
 H   -3.97256899       1.19464481       2.07105398    
 O    1.30367053       4.33602381       3.84115386    
 H    1.58227241       3.88462496       3.03115797    
 H    1.19032824       5.26492357       3.61309218    
 O   -4.85063505       7.66812563       3.23915696    
 H   -5.00464201       7.71550226       2.28785849    
 H   -3.89161348       7.65545702       3.35693836    
 O   0.719582796       6.98390198       2.91004801    
 H    1.34814394       7.69655418       2.82680607    
 H   0.580685794       6.62495947       2.01502275    
 O   -2.44517899       6.90199327      0.572250664    
 H   -2.38651037       6.96897316       1.53528237    
 H   -3.36941028       7.06014061      0.355633974    
 O   -1.16227639      0.783866704       4.37390995    
 H  -0.863470078       1.54349995       4.88964319    
 H   -2.12161088      0.870628297       4.30088329    
 O   -3.80485535       1.63842857       3.82970905    
 H   -4.74454927       1.77919316       4.01866436    
 H   -3.37720442       2.49284339       3.96132898    
          69
 Energy    -248.87133326738859     
  O     18.08012174      6.97223455     -9.71165063
  H     17.64781070      6.15429239     -9.99417126
  H     15.98892674      6.76246706    -18.30928241
  O     15.61068750     10.89827456    -14.21984672
  H     17.52110802      7.34144419     -9.01873716
  H     16.31102245      7.95820154    -14.94347799
  O     13.01864614      6.37181778    -12.77970219
  H     15.76923130     11.79046546    -14.51700629
  H     15.66250377      9.32516565    -15.23080334
  O     13.19196936      3.31770267    -15.77011602
  H     16.19009881     10.75274297    -13.45001806
  H     13.62877394      3.50421082    -13.97948775
  O     13.09611911     10.08497793    -13.10199964
  H     13.24454967      5.45124020    -12.96336416
  H     14.90053930      4.01655865    -13.25640805
  O     15.36736461      9.57838774    -10.02399769
  H     13.82412281      6.78491819    -12.42652039
  H     15.37087312      8.11228519    -11.13877926
  O     17.11307028     10.44948319    -12.02209736
  H     12.99431574      4.19659590    -16.14069178
  H     15.71605173      6.58928133    -11.25243169
  O     13.82178665      4.15254129    -10.33379781
  H     12.63360483      2.69448420    -16.22689425
  H     18.76588557      7.88927009    -11.02951173
  O     15.99006908      3.94066106    -16.14643961
  H     12.83434472      9.43438124    -13.76514427
  H     20.03623977      8.45544295    -11.70414820
  O     16.14447411      8.00385155     -7.84756649
  H     13.92639337     10.45427095    -13.42486923
  H     12.30327310      7.90588465    -10.16235211
  O     12.88908381      5.80192528    -16.81750179
  H     15.61063507      9.14841422     -9.19391944
  H     12.36239019      6.71107319    -11.10837013
  O     15.57929313      6.46990333    -17.49864928
  H     14.41076941      9.71350208    -10.03302095
  H     14.25502127      5.29460629     -8.47420177
  O     15.69082344      8.40958134    -15.53570486
  H     16.54033161     10.26555045    -11.26462765
  H     13.46427077      6.55692323     -8.81583950
  O     13.97097081      3.78263615    -13.12046275
  H     17.84694826      9.82731526    -11.96026692
  H     13.84243173      8.09896169    -15.18763944
  O     15.33900451      7.34547012    -11.72237094
  H     13.20808916      4.89199364    -10.28758016
  H     12.85694062      7.37477731    -14.23214937
  O     19.09079120      8.38404470    -11.80326063
  H     13.77485460      3.83823806    -11.24900764
  H     11.95722311     10.42120534    -10.19476328
  O     12.30514276      6.94008985    -10.16995868
  H     15.08820724      3.59977499    -16.10684996
  H     12.73968137      9.88661122    -11.41701786
  O     14.15206877      6.21542734     -8.22395985
  H     15.93545717      4.76724950    -16.64142964
  H     18.05251763      7.59314846    -13.17025039
  O     12.90334577      7.97345492    -14.99490230
  H     16.28162737      8.15244976     -6.91577183
  H     16.54288031      7.35864335    -13.00204036
  O     12.60107794      9.76911586    -10.45893442
  H     15.43945016      7.33622553     -7.92571239
  H     16.66839639      4.63672422    -11.66916256
  O     17.27930052      7.24000246    -13.62488729
  H     13.75008723      6.00262093    -17.20569681
  H     15.61945793      4.57484947    -10.52277556
  O     16.47726403      4.94408697    -10.77209444
  H     12.68413846      6.55971038    -16.25535328
  H     16.96423894      5.42464198    -13.62461789
  O     16.66501137      4.50855533    -13.54712860
  H     15.65029424      7.20713285    -16.87036458
  H     16.55525404      4.19572894    -14.45762979
          69
 Energy    -248.87106028140170     
  O     13.50854952      6.49242730     -8.00638566
  H     12.68082323      6.44222808     -8.51806542
  H     12.21156402     10.47174390    -16.41514253
  O     13.78203390      5.41800305    -16.04028813
  H     13.28227827      6.29154329     -7.10216579
  H     12.64091044      6.61550050    -15.40885418
  O     16.89595105      5.79700267    -13.87718957
  H     14.62220107      5.79700135    -16.32449878
  H     12.25493605      8.13756742    -15.36673065
  O     16.33102270     10.56198259    -13.92683639
  H     14.01871443      4.72335899    -15.41126528
  H     16.59305915      8.10218952    -11.64938545
  O     10.19268119      6.64595145    -13.02055397
  H     16.77622808      6.64418447    -13.42791033
  H     15.39572899      7.93805682    -12.63898268
  O     17.36411957      4.15914383    -11.54007020
  H     16.84422324      5.99947194    -14.82083632
  H     13.65342938      6.49800570    -12.30973337
  O     10.82059369      4.48281137    -11.55264292
  H     17.10234013     11.08655817    -13.72965995
  H     13.21308507      7.38678349    -13.50425665
  O     16.90483175      7.68133649     -9.91138290
  H     16.40831955      9.73877971    -13.41350858
  H     11.05577904      5.66099632    -10.07042353
  O     13.52328955     10.97284526    -13.56748644
  H     10.78396500      6.87010909    -13.75260302
  H     10.89005119      7.18131352     -9.89929571
  O     16.36822590      1.86883626    -12.74433862
  H     10.19175956      7.40020607    -12.41902459
  H     13.94499880      4.34112101    -12.57420451
  O     15.45992308      9.12439525    -16.22547567
  H     17.32947505      4.74203005    -12.31019931
  H     12.64124351      4.55503390    -11.72208406
  O     12.71738275      9.85106472    -15.89768121
  H     16.76277741      4.52955834    -10.88373423
  H     16.06095994      7.51356235    -16.44315803
  O     12.12698981      7.28611522    -14.93195004
  H     10.54609188      5.21329808    -12.13794111
  H     16.83096710      6.53152461    -17.35724674
  O     16.32647856      8.20661393    -12.57143470
  H     10.19806996      3.77327193    -11.68215396
  H     15.31652281      3.00789663    -13.69065761
  O     13.73237292      7.38237132    -12.68935188
  H     17.74360664      7.49322772     -9.49769897
  H     15.56410469      4.50842679    -13.97264404
  O     11.23615317      6.39139606     -9.46676440
  H     16.39101495      6.85519602     -9.88647914
  H     11.25449011      9.07167097    -11.04439737
  O     13.57827808      4.77422311    -11.79034488
  H     14.48703457     10.96118386    -13.62258460
  H      9.76215260      9.36063070    -10.76362594
  O     16.36475347      6.59191733    -16.52764363
  H     13.29471351     10.61392516    -12.70042547
  H     14.80349031      5.69471179     -9.09552048
  O     14.88800124      3.81557158    -14.00778838
  H     16.78614261      2.58810775    -12.24144084
  H     14.75846424      5.12872616    -10.52340388
  O     10.37480219      8.66272354    -10.98082869
  H     17.01962550      1.17497744    -12.80070863
  H     14.12165937      8.21396025     -8.57152765
  O     15.36913029      5.42006339     -9.82898499
  H     15.83692210      9.67288230    -15.52690354
  H     15.39367455      8.72766852     -9.25210513
  O     14.50406509      8.99421315     -8.99324493
  H     14.51914549      9.33683317    -16.24379358
  H     13.19909411      8.76047048    -11.72237075
  O     12.94853354      9.53991944    -11.20153118
  H     12.93347715     10.29387657    -15.05681991
  H     13.46821149      9.49472681    -10.38681736
          69
 Ord_Energy   -248.871017    
 O   -1.56724155      0.116256863      -3.55616450    
 H   -1.52667689     -0.573255658      -4.23551226    
 H  -0.909776509      0.779918551      -3.79534721    
 O    3.34179497       2.24242759     -0.350429803    
 H    3.03365731       3.13035274     -0.569939733    
 H    2.58269739       1.79383099       3.95141505E-02
 O   -1.13746512      -1.73514724      -1.51586211    
 H   -1.26340961      -1.08319962      -2.22265720    
 H   -1.43263948      -1.31328964     -0.699727237    
 O    4.55798578      -1.65367401      -5.85199451    
 H    4.83561087      -2.29365921      -6.50384474    
 H    3.59406376      -1.73539984      -5.77718830    
 O   0.541782677       2.00547123      -3.97442317    
 H    1.17243123       1.31175137      -3.71629834    
 H   0.279003173       2.43997741      -3.15035510    
 O    1.69819069      -4.01111221      -3.92951512    
 H   0.805476665      -4.14245129      -3.58611870    
 H    2.28492570      -3.92884922      -3.16722822    
 O    2.23990006E-04   2.95411062      -1.40844750    
 H   0.331018776       2.22586060     -0.862283766    
 H   0.617820382       3.68458867      -1.28172779    
 O    2.17553902       4.71937370      -1.23195732    
 H    2.33814645       5.64154387      -1.05539382    
 H    2.37752032       4.57014847      -2.17385578    
 O    2.62031746       4.06818867      -3.81314349    
 H    3.48319769       3.71187520      -4.06082821    
 H    1.96199715       3.42072034      -4.08600140    
 O   -1.01807380      -4.00505352      -3.07416296    
 H   -1.13055372      -3.27111316      -2.44796562    
 H   -1.69286048      -4.64774275      -2.86935949    
 O   -1.06596529      -2.02078605      -5.19701052    
 H  -0.127711907      -1.92827022      -5.40061188    
 H   -1.13158965      -2.79953933      -4.63172293    
 O    1.58527362      -1.47797775      -1.00072801    
 H   0.674721599      -1.74512446      -1.18732357    
 H    2.17524600      -2.22567463      -1.15672302    
 O    1.51464832      0.967876613      -6.51130629    
 H    1.02838421       1.41439259      -5.80832243    
 H    1.45215833       2.48806309E-02  -6.32086897    
 O    2.22026277       1.62455905E-02  -3.22672677    
 H    3.09877753      0.373559982      -3.04065609    
 H    1.96208823     -0.497880697      -2.45107436    
 O    5.12581158       2.91108060      -4.42564392    
 H    5.90262747       3.37567830      -4.72411537    
 H    4.86454296       2.30430770      -5.14356184    
 O   -2.49498177       1.65995800      -1.35906637    
 H   -1.76615310       2.29594207      -1.36913097    
 H   -2.40863466       1.15756190      -2.17989993    
 O    4.28892469       1.16877735      -6.27019596    
 H    3.33896041       1.19602203      -6.45352554    
 H    4.51883268      0.237178028      -6.18435860    
 O    5.10195065      -1.72517288      -3.01961231    
 H    5.09619093     -0.801308334      -2.73385358    
 H    5.03406811      -1.71097839      -3.98145866    
 O   -1.82858288      -4.03985009E-02  0.637372911    
 H   -2.16362739      0.596995115      -2.01952793E-02
 H   -2.44059110      -3.12372893E-02   1.36803520    
 O    3.43392777      -3.43101192      -1.74783146    
 H    4.06548548      -2.83398938      -2.18984604    
 H    3.95084882      -4.03653908      -1.22330987    
 O   0.874550819      0.868455231      0.270805925    
 H    1.58819999E-03  0.624302208      0.600094438    
 H    1.23921311       5.40300794E-02 -0.105744891    
 O    1.81372285      -1.69842732      -5.33335543    
 H    1.78525889      -2.57968593      -4.92534208    
 H    1.96185184      -1.06697822      -4.61071301    
 O    4.67178869      0.989976823      -2.41667199    
 H    4.93496895       1.67939651      -3.03856969    
 H    4.29261351       1.42469931      -1.63720000    
          69
 Energy    -248.87096728802300     
  O      1.13202420      2.03958275      3.14853633
  H      0.52459699      1.86964029      3.87757380
  H      1.15508931     -4.20375874      1.86766228
  O      0.52969020      3.17459768      0.75778573
  H      1.82340868      1.36817428      3.19389781
  H     -0.31537541     -4.24881204      3.73539472
  O     -0.42933854     -1.28815078      4.60849958
  H      0.75501190      2.78452889      1.62120026
  H     -0.94709651     -3.07760318      4.51350646
  O      1.25101743     -3.44011653     -2.45770184
  H      0.85342339      4.07162921      0.77018885
  H     -2.71211217     -0.46442311     -0.53008184
  O     -1.83311645     -0.93140189     -3.81904612
  H     -0.56674159     -0.42003164      5.00332274
  H     -2.77966937     -1.97005592     -0.09279652
  O      0.95886645     -0.83930307     -3.17005548
  H     -0.64767245     -1.18038416      3.67025355
  H     -1.89965463     -3.59720901     -1.78988893
  O     -2.71826155      1.35268512      3.14820932
  H      1.88189068     -3.85830697     -3.03740101
  H     -0.65769888     -3.55292652     -2.69311062
  O     -3.32714267     -3.76768836      2.59391267
  H      1.22719104     -2.49736107     -2.70380781
  H     -1.44248987      0.20926779      2.36933780
  O     -1.90409033      0.75952748     -1.57362540
  H     -1.84722978     -1.82511445     -3.43230878
  H     -1.70437615     -0.90671335      1.36432420
  O      0.84677673      1.02644962     -1.05036226
  H     -2.32153259     -0.97759584     -4.63643983
  H      1.06891901     -2.49781828      0.51948100
  O     -4.23602741     -0.91658267      2.61956043
  H      0.06117438     -0.78335141     -3.52103972
  H      1.01166862     -3.53504991     -0.62643578
  O      1.31217797     -4.53573298      2.76684632
  H      1.04145557     -0.11666543     -2.53456725
  H      1.30063347     -1.89677730      4.50351698
  O     -1.13122538     -3.95857068      4.16029638
  H     -2.69561264      1.84407738      2.31288396
  H      2.00970355     -3.04886401      3.76938065
  O     -3.09112307     -1.07911131      0.11155272
  H     -3.34554089      0.61906944      3.06040975
  H      0.56914664     -0.65403789      1.33523410
  O     -1.61077194     -3.39997378     -2.69023138
  H     -2.56906881     -3.87175322      3.19536307
  H      2.10684403     -0.54110579      1.56200556
  O     -1.04100046     -0.57995679      1.98397042
  H     -3.97543865     -4.41556408      2.85949706
  H     -1.14161534      1.99199563      5.86858907
  O      0.80566848     -3.40641746      0.30798586
  H     -1.97947278      0.28953213     -2.41358434
  H     -1.60976296      1.49601678      4.47944194
  O      2.17270053     -2.22142855      4.23614160
  H     -0.95689839      0.84596561     -1.39564083
  H      4.05427903      0.09391950      3.15193816
  O      1.43604743     -0.80532029      0.92209350
  H      0.81256180      1.85134288     -0.55048237
  H      2.85605045     -0.81863930      3.51353958
  O     -0.87683064      1.46242214      5.12136225
  H      1.12329173      0.34940313     -0.41501562
  H     -2.47672360     -3.76861972      0.92888644
  O      3.11565354     -0.01485387      3.02730748
  H     -4.04821370     -0.87188828      1.66940345
  H     -1.07527213     -3.58192389      0.26540040
  O     -2.02294713     -3.64110901      0.08507427
  H     -4.00780118     -1.82274256      2.84880343
  H     -2.33316158      1.99606297     -0.11030380
  O     -2.25735421      2.50837051      0.70308960
  H      1.72147932     -5.39278757      2.67520668
  H     -1.34754292      2.83112897      0.71865286
          69
 Energy    -248.87093516265637     
  O      0.10612953      0.80012417      4.63479749
  H     -0.48094047      0.44901734      3.94574872
  H     -2.01794202      0.99891684     -0.04767384
  O      1.29454639     -1.34614484     -2.30481145
  H     -0.02161713      0.22536846      5.39938489
  H     -3.47474342      0.10399558      5.36823344
  O     -0.63737513     -1.10503294      6.56618895
  H      1.46661796     -1.48037752     -3.23257199
  H     -3.33430357     -1.38521241      4.99539167
  O      1.70968114     -2.91360365      0.03238557
  H      1.93817403     -0.68806725     -1.98468307
  H     -1.04865531      3.36816994      2.46288998
  O      3.85277191     -1.20071745      1.10743408
  H     -0.61305971     -1.15058050      7.51804581
  H     -0.76205033      4.44830080      1.39080433
  O     -4.77625495      0.76022739      2.03273642
  H     -1.57119660     -0.97983140      6.31465465
  H     -0.15011546     -0.51320797     -1.43378924
  O     -1.64863343     -4.60543723      3.24056322
  H      2.51591742     -2.49759301      0.36106767
  H     -0.07772488      0.42729703     -0.21560385
  O     -1.56697256      2.95451055      4.05082369
  H      1.51351453     -2.48176316     -0.80957459
  H     -1.92317199      0.27501306      1.99636744
  O      2.94756439      0.41704916     -1.07329645
  H      3.42004606     -0.66886139      1.79488375
  H     -2.20290506     -0.94657399      2.92494612
  O     -4.85322699     -1.94565279      1.12601381
  H      4.70834518     -1.44311357      1.45456554
  H      1.73713664      0.57457008      3.63819188
  O     -3.32626344     -2.33857761      3.42211982
  H     -4.93767481     -0.14349166      1.73859872
  H      1.72725110     -0.65453777      2.73952632
  O     -2.51578221      1.48850355      0.62079554
  H     -4.09571498      1.10798797      1.43831998
  H     -4.83223765      2.14453518      4.85807173
  O     -3.16891753     -0.74720862      5.70366822
  H     -1.01634313     -4.20336572      3.86300464
  H     -4.37014378      1.33728776      3.62566765
  O     -0.76985171      3.50668493      1.53922989
  H     -1.81952402     -5.48962651      3.55481328
  H      0.53408248      2.27741331      1.00021998
  O     -0.69409858     -0.06957845     -0.77290928
  H     -2.43590520      2.56871381      4.21801758
  H      1.46441529      1.13624964      1.50523855
  O     -1.52863820     -0.31111637      2.65007255
  H     -0.92347422      2.32966655      4.41203663
  H     -0.11962122     -2.56890180      5.44614258
  O      2.22017035      0.16698909      2.90895811
  H      3.42675460     -0.10385158     -0.41678848
  H      0.42161301     -2.79274925      4.01391358
  O     -4.08488682      1.67744968      4.49232369
  H      2.35498434      0.98506439     -0.56147545
  H     -0.17360498     -1.43629960      2.33151094
  O      1.07542196      1.53160423      0.71430115
  H     -5.53907466     -2.40566796      0.65082113
  H      0.84799360     -2.32524250      1.53901098
  O      0.09329104     -3.25260391      4.80077618
  H     -4.04147408     -2.01677687      0.58861115
  H      0.06845394     -4.06766521      0.33726189
  O      0.63852485     -1.95901305      2.40579680
  H     -2.81984130     -3.15570111      3.33203084
  H     -1.00475221     -4.40326251      1.40938482
  O     -0.86439681     -4.27030927      0.46328901
  H     -3.94790514     -2.29585717      2.68393669
  H     -1.92893948     -1.45176415     -0.40471137
  O     -2.54173845     -2.16952930     -0.21216426
  H     -1.99100325      2.26488219      0.85345528
  H     -1.99758302     -2.95044918     -0.03593417
          69
 Energy    -248.86991511220771     
  O     18.44489916      8.11203472     -9.71205773
  H     18.94472009      8.00032377    -10.53142360
  H     16.90357006     10.91058526    -10.35827054
  O     14.73910536      7.65635108     -8.09256881
  H     18.38389411      7.24924652     -9.28752022
  H     18.96430132      7.32097268    -12.49116097
  O     20.68834124      2.89025054    -10.15549295
  H     14.65664189      7.03735094     -8.84135652
  H     19.69335442      8.71706656    -12.26565464
  O     21.75920244      6.35770399    -10.95768445
  H     13.85155461      7.84663804     -7.79838000
  H     20.94096196      4.09336695    -12.90387314
  O     19.25260297      4.07988804    -13.37952970
  H     21.20856995      3.19219503    -10.91159472
  H     22.40841328      3.70618795    -13.20649187
  O     22.64803127      8.40634975     -9.26175527
  H     20.78981391      3.56708906     -9.47506349
  H     18.17411816      1.35450423    -11.33748761
  O     16.93829208      7.10841708     -6.44030429
  H     21.07724258      6.87557937    -11.41367134
  H     19.14505193      2.45408606    -10.84228935
  O     21.77242611      7.21796457     -6.78001081
  H     21.94243266      5.59521151    -11.51842874
  H     16.87303468      8.84992403    -10.05484113
  O     19.46324965      8.55764427     -6.30743248
  H     18.66328521      4.84332710    -13.36111505
  H     15.47368166      8.88820642     -9.41904579
  O     18.19314409      5.61472500     -8.47271632
  H     18.84768759      3.41544393    -12.80752223
  H     14.71570782      8.47363129    -13.05399680
  O     19.38033895     10.38204305     -8.40854924
  H     22.47955465      7.69943241     -9.89930139
  H     15.46928724      8.46488055    -11.70491215
  O     17.64022526     11.53185982    -10.40266564
  H     22.41230697      8.05096020     -8.39728366
  H     22.08477747      9.97339217     -9.74090146
  O     19.74537677      7.75767479    -12.12794108
  H     16.57885031      6.82618665     -5.60170068
  H     22.39630117     11.47102647     -9.96838099
  O     21.83368222      4.03066595    -12.51875274
  H     16.18092212      7.34109219     -7.00020920
  H     14.60047212      6.62481769    -11.09466101
  O     18.31480029      2.29713617    -11.32751570
  H     22.30572587      7.23817266     -5.98984728
  H     15.26449685      5.43356448    -10.38612480
  O     15.98168005      9.21938593    -10.16669343
  H     20.95061547      7.69873544     -6.57615923
  H     17.30087562      5.67751374    -11.99773710
  O     15.19415128      7.90805074    -12.45310016
  H     19.43160963      9.30931823     -6.91719679
  H     16.71150804      6.82218240    -12.83933585
  O     21.68868673     10.83219006     -9.97368320
  H     18.58681273      8.15999978     -6.31969576
  H     20.44134827     10.64160401    -11.43551002
  O     14.55901769      6.08966029    -10.29360486
  H     17.86380933      5.99153757     -7.64899081
  H     18.93526663     10.89644155    -11.60348826
  O     17.48385799      6.25108954    -12.75694082
  H     19.14182573      5.43702925     -8.39409085
  H     17.32713137      4.89047922     -9.82142438
  O     19.69358856     10.46420778    -12.01975212
  H     20.20008655     10.64251063     -8.84820424
  H     17.24490510      3.71094487    -10.83102905
  O     16.85952182      4.56602360    -10.60614692
  H     19.07670749      9.58290915     -8.86844962
  H     21.26801299      5.80659847     -7.86795964
  O     20.90606141      5.24279344     -8.56288399
  H     18.16421727     11.35503708     -9.61059311
  H     21.18127427      5.63827595     -9.40450570
          69
 Energy    -248.86944374524012     
  O     12.25981785     12.24818201    -12.96820830
  H     11.88051216     13.09489312    -12.74525527
  H     18.82977672     11.56262492    -17.09370118
  O     19.25993860      9.79994957    -11.93110046
  H     13.06453045     12.42939832    -13.48126366
  H     12.65616666      9.98261571    -17.50047176
  O     15.61300046     10.34128819    -11.20123126
  H     18.94879153      9.68690394    -12.84276115
  H     11.68837913     10.57239657    -16.43781648
  O     11.05722714     10.33117897    -14.76631909
  H     18.87389569     10.63227560    -11.63997533
  H     16.44771805      9.85307436    -14.15145975
  O     14.01567433      8.09904324    -15.05395954
  H     15.96093074      9.44713991    -11.06568386
  H     15.46113279     10.15304570    -12.99942196
  O     15.22744268      6.29526024    -13.29463654
  H     16.34748848     10.96668144    -11.19510747
  H     13.13057501     12.13260171    -17.26021343
  O     18.94810188      7.20187309    -11.28214518
  H     11.16997837      9.50328643    -14.28398180
  H     13.50789833     13.54824079    -17.76720217
  O     14.52873941     12.56326638    -14.52152249
  H     11.37061358     11.02260037    -14.17142646
  H     13.19887351      8.37401551    -10.29137057
  O     16.20092347      7.64874830    -11.01874413
  H     13.20636396      8.09250355    -14.52554755
  H     14.49830270      7.54765082    -10.18014040
  O     15.82460169     10.88967612    -17.64664890
  H     14.55351497      8.83269778    -14.71530802
  H     18.31537364      9.81017061    -15.24404084
  O     17.99328944      6.65100892    -13.98244250
  H     14.87308944      6.86736722    -13.98960661
  H     18.13862376      8.40037923    -14.50618993
  O     18.20578955     11.26118911    -16.43900516
  H     14.45720239      5.90270987    -12.86603298
  H     17.69777600     12.37865544    -14.87919557
  O     12.12777676     10.75826903    -17.28133848
  H     19.68886814      6.85064658    -10.79637711
  H     16.39815913     12.94542341    -14.27137650
  O     15.52205249     10.05763125    -13.95849435
  H     19.13784311      8.14436571    -11.44483386
  H     17.95006390     12.96367996    -11.02636583
  O     13.80363310     12.83755412    -17.20595438
  H     14.86109893     11.65460074    -14.44621421
  H     17.63913123     12.43263292    -12.44340523
  O     13.54116681      7.50545589    -10.04714788
  H     14.28539022     12.71178284    -15.44492717
  H     12.55872994     10.79405345    -11.79218776
  O     18.13841027      9.36357132    -14.40849298
  H     17.14175576      7.44178683    -10.96279309
  H     13.83665360     10.17409731    -11.20724096
  O     17.34995269     12.86932656    -14.12579909
  H     15.87982207      7.22797253    -11.82902108
  H     12.05838249      7.23800109    -12.83525879
  O     17.73245719     12.17129608    -11.51020119
  H     15.29406323     10.08846491    -17.73061455
  H     12.27437211      8.74380739    -12.54757522
  O     12.89285064     10.00465690    -11.34891524
  H     15.19448025     11.61757832    -17.58074645
  H     12.33519414      4.94478822    -11.57873688
  O     11.94333293      8.11875209    -13.20997776
  H     18.40063655      6.69588654    -13.10807597
  H     13.01108896      6.27784625    -11.17527156
  O     12.78635733      5.70647665    -11.93220256
  H     17.08458135      6.36354367    -13.82852599
  H     14.02959005      8.37302491    -16.78042003
  O     14.04576015      8.65882382    -17.71020698
  H     17.36162260     11.11660604    -16.90326559
  H     14.01572862      7.86798681    -18.24214902
          69
 Energy    -248.86940073485059     
  O     11.25626307     10.14807485    -14.40419160
  H     11.39442935     11.00225250    -13.97900105
  H     16.78208501      7.59124047    -15.35791099
  O     16.53097057      7.71139135    -13.59927260
  H     11.92828124     10.08713427    -15.09752682
  H     20.97016555      9.27874548    -13.89243630
  O     17.71511104     11.37242760    -10.93489779
  H     17.17518065      8.06911531    -12.97524445
  H     19.66224768      9.17641501    -14.68797642
  O     16.60160914     12.06856237    -13.46123582
  H     15.91834778      7.16050324    -13.09350361
  H     14.38379143     12.97202164    -15.43580872
  O     14.05706804      7.29194027    -16.82940302
  H     16.89059109     11.22723650    -10.43315179
  H     15.08230063     13.05173446    -14.06956542
  O     14.85470934      8.26700083     -8.88283267
  H     18.26566650     11.93730155    -10.39969909
  H     14.37358223      9.92654304    -14.56469523
  O     14.78849086      6.32994253    -11.97449376
  H     16.01776662     11.30161566    -13.57725628
  H     15.43762730      9.13063523    -13.74569680
  O     13.43174565     10.78008427    -11.60170359
  H     17.04262798     11.94365510    -12.61446661
  H     10.15338768      7.49083230    -13.15418890
  O     17.38834624     11.76192313    -16.12213196
  H     13.78276005      6.94165673    -15.96201969
  H     11.10391834      8.63627744    -13.57408577
  O     16.97340231      6.79547177    -10.20128599
  H     13.68508812      6.70986791    -17.48674937
  H     12.45753819      6.84364622    -14.02268193
  O     18.92735385      9.36052064    -16.37939165
  H     14.08907477      8.10838616     -9.44910445
  H     13.79016287      6.18497771    -13.63196126
  O     16.84087677      7.67864843    -16.32189976
  H     15.57102420      7.73337726     -9.24673311
  H     18.98976221      8.81081473    -12.37800360
  O     20.04281170      9.07100422    -13.80361170
  H     14.13298284      6.95205809    -11.62308020
  H     18.09655307      9.63673887    -11.41371424
  O     14.25962042     13.26935022    -14.52741665
  H     15.49858245      6.29000835    -11.32213119
  H     15.28056747     10.02315844     -9.24541080
  O     14.89886530      9.93112227    -13.75513423
  H     13.95734366     10.45187315    -12.34856616
  H     14.69424157     10.99665841    -10.28181417
  O     11.06723214      7.76254130    -13.14439339
  H     12.85132413     11.45606260    -11.96719094
  H     14.93469971     12.61664134    -17.90745453
  O     13.24423305      6.42080890    -14.39062434
  H     17.93896446     10.97538348    -16.20049156
  H     15.82087293     11.96575162    -16.81868931
  O     18.29920453      8.73696765    -11.70239626
  H     17.27373696     11.92781526    -15.17561002
  H     13.04637601      9.07092594    -11.12037592
  O     15.42636510     10.88420685     -9.66071778
  H     17.49767152      7.46484147    -10.66992424
  H     12.16902359      7.91557983    -11.61770814
  O     14.89979872     12.09703232    -17.10903372
  H     17.59581589      6.23279201     -9.74654924
  H     11.49598771     13.41961587    -12.98885530
  O     12.88626035      8.12264456    -11.00599960
  H     18.17172906      8.74543213    -16.42008877
  H     12.78276930     12.89490495    -13.66585568
  O     11.99009737     12.62451798    -13.16869362
  H     19.41097197      9.24957170    -17.19396292
  H     13.91717179     10.62706053    -16.59805962
  O     13.42995658      9.93371236    -16.13397426
  H     15.94402129      7.54042789    -16.64258029
  H     13.66169087      9.07659340    -16.51376712
          69
 Energy    -248.86930174162597     
  O     11.19398608     10.35298380    -13.49393864
  H     11.10642495      9.72259154    -14.21957324
  H     18.05789156      7.00972407    -16.41671472
  O     13.64576771      7.45917445    -14.98606351
  H     12.01162151     10.84096679    -13.64873141
  H     15.00287818      8.26757679    -14.15228493
  O     17.13422207     10.43709687    -10.49250491
  H     14.10263710      7.14446764    -15.78091659
  H     15.41945065      9.09572417    -12.89783547
  O     18.21799904      8.67604258    -16.86440603
  H     12.76460301      7.76203491    -15.23151775
  H     10.79680108      9.57061589    -11.99208406
  O     15.42722708      6.68654920     -9.73698368
  H     17.34734526      9.63887379     -9.99234538
  H      9.90718258      9.47497659    -10.72820716
  O     13.19116611      6.03674977    -12.66987656
  H     17.86218162     10.55449245    -11.11454106
  H     18.71536026      7.68153868    -10.90305643
  O     14.70029094     10.22981079    -11.68439546
  H     18.18796998      9.26269559    -16.09582116
  H     18.59091709      7.12836750    -12.34288289
  O     15.71849332      9.38539464    -18.06132602
  H     17.46764323      8.93682195    -17.41259000
  H     11.33777614      6.34040459    -12.82981686
  O     15.60387373      4.79415748    -11.88254188
  H     14.62706550      7.19092512     -9.93170391
  H     10.39885177      7.44880166    -12.31324424
  O     17.66356527     10.25762175    -14.63176930
  H     15.47154211      5.98104596    -10.39345156
  H     20.20605260     10.63910008    -12.23425149
  O     15.17457480      6.76912440    -17.11239615
  H     13.94703211      5.48708272    -12.43493388
  H     19.31876825      9.37170399    -12.19718964
  O     17.84034900      6.09116117    -16.17338402
  H     13.39768042      6.46278855    -13.51588938
  H     16.74628060      7.10632176    -13.43807724
  O     15.75774094      8.54467385    -13.61425604
  H     15.52111831     10.36447112    -11.18630342
  H     17.52687669      6.12475997    -14.34842098
  O     10.59877597      9.02719980    -11.20726661
  H     14.17931873      9.53459302    -11.26089742
  H     18.05338800      7.75895686     -8.40064897
  O     19.13132735      7.69139989    -11.77534293
  H     15.51610914     10.01785976    -17.34880738
  H     16.91987900      7.47690592     -9.41370207
  O     10.49539011      6.78237378    -13.00485230
  H     15.52918206      9.83097528    -18.88259217
  H     14.72704214     11.28465446    -15.30942391
  O     19.31334488     10.33169714    -12.36637947
  H     15.88582688      3.88434375    -11.83560898
  H     16.22401247     11.01176957    -15.54650671
  O     17.28150230      6.29615462    -13.43079582
  H     16.24733262      5.26153016    -12.44241021
  H     13.20649933      7.38575321    -11.44172914
  O     17.77108611      7.93490777     -9.29401296
  H     18.28212382     10.40386497    -13.90722558
  H     12.29486699      8.41921790    -10.74542724
  O     15.37687037     11.12097318    -16.00145324
  H     17.00139704      9.62987341    -14.30156833
  H     13.72604731     12.62746929    -13.52485582
  O     13.19811147      8.07962158    -10.76563062
  H     15.33676703      7.63298194    -17.51625869
  H     14.06057209     11.22064793    -12.98293523
  O     13.68077588     11.69835439    -13.74087879
  H     16.03460981      6.43542741    -16.83207867
  H     10.31649773      7.97674755    -15.99465239
  O     10.94424633      8.17022085    -15.30385664
  H     18.43171678      5.53083472    -16.66905824
  H     10.69777729      7.62362761    -14.53534458
          69
 Energy    -248.86930071009573     
  O     -1.81071465      2.68516583      4.80679316
  H     -2.14875767      2.35785354      3.95612427
  H     -3.13968074      4.97920960      0.24766324
  O     -1.77004280     -2.25036858      0.69062310
  H     -2.56197368      2.75431210      5.39072697
  H     -2.12078637      0.23816374     -2.63597870
  O     -2.88887961      4.69523841     -2.88114370
  H     -2.61395473     -1.87590194      0.41244061
  H     -1.36506663     -1.05830597     -2.24115710
  O     -3.62925415      1.70806992     -0.11507493
  H     -1.40635532     -1.65309298      1.36015104
  H      3.39063374      2.43979808      4.72847607
  O      1.87343781      4.88125954     -1.85260238
  H     -3.51899237      5.09360231     -3.47565508
  H      2.42030831      2.42625225      3.52212954
  O     -0.49639317      3.23383108      1.18623777
  H     -3.29259997      4.70909995     -1.99369360
  H     -0.85886938      6.13603679      1.51295122
  O      0.25910805      0.67632679      4.67811090
  H     -3.04471523      1.85077791     -0.87318151
  H     -1.21421322      5.99558285      0.00267261
  O     -4.06670558     -1.03328905     -0.57599106
  H     -3.94472173      0.79911369     -0.19988786
  H     -1.84729996      0.87574939      2.30997499
  O     -0.50603098     -0.29862033      2.22623834
  H      2.62278510      5.14280229     -2.38043703
  H     -2.95825648      1.66145104      1.54377688
  O      1.29135335      0.27817509      0.09102984
  H      2.12794135      5.00470870     -0.91997149
  H      1.15067485      3.83776265      4.60268739
  O      2.05732770      2.41126293      1.79985436
  H     -1.17346138      2.69405455      1.60965605
  H     -0.38934071      3.91755846      4.59872089
  O     -3.80449552      4.57687541     -0.32654915
  H     -0.84632208      4.13094752      1.10522680
  H     -2.32418472      2.92249561     -2.72059661
  O     -2.21795699     -0.71938767     -2.53677716
  H     -0.44968819      1.29816458      4.88343860
  H     -1.10297201      2.20541643     -2.09068228
  O      2.46723974      2.47081052      4.49328305
  H      1.07429625      1.18996888      4.72735038
  H      0.87412714      7.19762108      3.04860504
  O     -1.50710409      5.76747639      0.90084626
  H     -3.45903264     -0.97568247     -1.33676518
  H      0.55719560      5.70452507      3.29744663
  O     -2.44539068      1.63746291      2.36280227
  H     -4.81950971     -1.54347788     -0.86300305
  H      0.07259212      2.81775076     -0.44284770
  O      0.41044338      4.44269029      4.47248401
  H      0.15221796     -0.06287766      1.56028499
  H      0.99720393      3.26879273     -1.60470401
  O     -2.01084225      2.06865820     -2.39861341
  H     -0.15018494     -0.07721047      3.09966621
  H      0.45372445     -2.73222089     -1.55942150
  O      0.66151959      6.38099349      2.60411219
  H      1.02202456     -0.51725546     -0.38576010
  H     -0.55767372     -2.12117480     -0.56095463
  O      0.45163963      2.53756796     -1.29168752
  H      1.04770800      1.01950378     -0.48299095
  H      1.88321030      5.55291881      1.38478576
  O      0.09773736     -1.90363252     -1.24888159
  H      1.15453540      2.76082341      1.71943178
  H      2.50120561      4.15754646      1.14220227
  O      2.45457880      5.05416870      0.78765401
  H      2.06872165      1.60936975      1.26443782
  H     -1.33856816      5.65183687     -2.23304627
  O     -0.69853304      6.12126228     -1.68433315
  H     -3.87192192      3.64451662     -0.08776294
  H      0.16649107      5.73226830     -1.85976738
          69
 Energy    -248.86888382805932     
  O     -1.08875388      3.72618952      2.51450844
  H     -1.89241567      3.58996381      1.99494116
  H     -0.70219528      8.25978252      0.20391804
  O     -2.86783006      5.73152412     -0.84437004
  H     -0.56675250      2.91603473      2.41864357
  H      1.15733591      1.85303769      1.35856422
  O      4.43751288      6.50712677      0.58416467
  H     -2.74701556      6.37398789     -0.13446107
  H     -0.22414664      1.34418551      0.91802839
  O      1.98203506      7.45701648      1.53750215
  H     -2.00473962      5.64211160     -1.27719390
  H     -0.18357987      3.79864649     -2.51483164
  O     -0.34199657      5.40859768     -1.83995448
  H      4.07721008      6.21112378     -0.27140362
  H     -0.86702908      2.66186255     -3.31370406
  O      2.44423482      2.98581076      0.53992607
  H      5.29025193      6.89321861      0.40461468
  H      0.81204816      8.01947931     -1.69730999
  O      0.60509414      5.06339596      0.67710794
  H      2.86227992      7.23632249      1.20484523
  H      1.22000253      8.29799628     -3.16575885
  O     -2.17996261      7.53260297      1.23073161
  H      1.97004976      7.21617470      2.47259210
  H     -4.09600988      0.91050508     -1.70645319
  O     -1.28204314      1.48638911     -0.65607287
  H      0.01442067      5.28133267     -0.94496645
  H     -3.84027805     -0.55187260     -2.14490402
  O     -0.88778063      6.32692332      3.32340470
  H      0.12157108      6.16265646     -2.22243634
  H     -3.90090481      4.96384612     -2.12390495
  O     -3.02843375      3.30111600      0.58460948
  H      1.81893392      3.72738002      0.56619213
  H     -4.88994292      5.04141872     -3.30513281
  O      0.13299561      8.53223431     -0.19126278
  H      2.64847161      2.86140689     -0.39264712
  H     -2.87762239      1.60388297     -3.39042232
  O      0.31937674      1.51420821      1.69917626
  H      1.01049156      5.86635049      1.02428405
  H     -3.16000928      3.10369816     -3.58273446
  O     -0.07522143      2.87821259     -2.80058129
  H      0.01293511      4.70018365      1.34905930
  H      1.68696925      2.90567027     -2.54913879
  O      1.18945708      7.61581103     -2.50097338
  H     -1.70869813      7.12147389      1.97649377
  H      3.12970581      2.50662719     -2.92346980
  O     -3.42881255      0.30506573     -2.07653156
  H     -2.77935653      8.16828166      1.61534823
  H      2.25230882      6.28499734      4.91653491
  O     -4.35996011      4.43337824     -2.79490929
  H     -0.78634701      1.93384509     -1.35442268
  H      2.48159076      5.55500223      3.57552377
  O     -2.56467041      2.39322770     -3.85017490
  H     -1.94133269      0.93542895     -1.09656002
  H      3.27734643      3.88568431      1.98707456
  O      2.62125925      3.04279529     -2.31960116
  H     -1.06579122      5.38003187      3.21423516
  H      4.01448467      5.22377345      1.94522752
  O      1.91906243      6.21020913      4.02629066
  H      0.01300491      6.37033702      3.66124363
  H     -4.52162117      2.55099333     -0.31877374
  O      3.57733608      4.61082062      2.55000022
  H     -2.98652001      4.14378378      0.11325664
  H     -5.00622702      2.96363478     -1.71041188
  O     -5.04945752      2.24366044     -1.06891302
  H     -2.40145625      2.69966843      0.15428434
  H      3.03905173      4.89793741     -2.00284829
  O      3.29405474      5.79406376     -1.75453337
  H      0.81297577      8.29780540      0.45833716
  H      2.60774764      6.39060121     -2.07611809
          69
 Energy    -248.86872580579495     
  O     -5.77133639      4.14935972     -0.27740498
  H     -6.52586576      4.73079373     -0.24545871
  H      1.75139394      1.64087782      1.74865851
  O     -2.79323651      2.12140033     -3.82291486
  H     -5.26037176      4.30740068      0.53771447
  H      0.44509220      2.56959670     -1.65741426
  O     -4.29250511      4.43718114      1.97045518
  H     -3.11355574      2.85511392     -3.26751350
  H      1.74972429      3.02075727     -0.94894975
  O     -1.09233413     -0.32129413     -1.16214230
  H     -3.04724929      2.33296284     -4.71820592
  H      2.33350492     -0.71335509     -0.82972526
  O     -4.38376016      0.07557083     -2.51840776
  H     -4.04678414      3.58805815      2.36037520
  H      1.60904684     -1.12580853      0.48422308
  O     -2.73412136     -1.55882914      1.48818399
  H     -3.49864479      4.98191690      2.02534989
  H      3.23512613      0.23925810      1.02551139
  O     -3.25707005     -2.06461025     -1.32151459
  H     -0.64960743     -0.54981628     -0.33310250
  H      4.20019033      0.77429133      2.11248490
  O     -0.16707522      1.41291400     -2.96273296
  H     -1.78416832     -0.97830508     -1.30569077
  H     -5.56814050      2.30072655     -0.24287106
  O     -0.05576649     -0.82632520      1.31044054
  H     -3.84300457      0.72251056     -2.98624916
  H     -4.22493821      1.55274122     -0.11108789
  O      2.32911654      0.21513267     -2.57151564
  H     -4.81692409      0.55078247     -1.79643957
  H     -1.66727571      2.80702268      3.36832911
  O     -3.23695449      1.93692027      2.80870425
  H     -3.51859521     -1.11014612      1.82240942
  H     -0.22168099      2.82474069      2.82413649
  O      0.81108653      1.83898240      1.65030453
  H     -2.96295928     -1.83446546      0.59195802
  H     -5.26722306      0.40153092      1.32561432
  O      0.78458636      3.07532438     -0.90702596
  H     -3.44612918     -2.87812876     -1.78091717
  H     -5.97325153     -0.41195071      2.43410553
  O      2.47833666     -1.01716192      0.07404038
  H     -3.73385744     -1.35650983     -1.79142246
  H     -1.98358637      1.12125368     -0.32001156
  O      3.52158731      1.04166576      1.49904572
  H     -0.47217858      0.72615882     -2.34407503
  H     -2.14973867      2.67151012     -0.10142035
  O     -5.18459710      1.41746625     -0.18058327
  H     -0.96745998      1.73612291     -3.39083640
  H     -0.63825535      4.10118540     -0.60648189
  O     -0.86676392      3.34662744      3.32029565
  H     -0.95786936     -1.07915126      1.55741429
  H     -1.55744032      4.88723565      0.38553489
  O     -5.12302376     -0.08061372      2.15688898
  H      0.10307940      0.08741681      1.58528178
  H     -4.42362918      4.17260394     -1.65551701
  O     -2.48123037      1.79958672      0.14923441
  H      2.68570226     -0.19234506     -3.35796987
  H     -2.89461778      4.36065645     -1.65454396
  O     -1.54695807      4.39237071     -0.44285524
  H      1.49525266      0.63416035     -2.83534908
  H     -1.33784055      4.83719872      2.58337242
  O     -3.64466781      4.12539594     -2.22031824
  H     -3.90252318      1.24374065      2.86593120
  H     -1.32562698      6.38301371      2.48498479
  O     -1.68571258      5.59809848      2.08239209
  H     -2.85956139      1.85403081      1.91802075
  H      3.62363798      2.02551741     -0.15127732
  O      3.44001504      2.39860514     -1.02293101
  H      0.71468054      2.25552126      0.78328969
  H      3.23094725      1.64634132     -1.59138285
          69
 Energy    -248.86853828347034     
  O     18.54207243      9.27040993    -11.07164573
  H     17.76774339      9.09416401    -10.51490998
  H     15.42970011     10.00146986    -10.56929664
  O     12.80787266      6.51805970     -9.29421131
  H     18.86268795     10.15348453    -10.85580883
  H     12.24752817      9.46293822    -10.28032017
  O     19.25702618     11.82503916    -10.22602399
  H     12.90086977      7.15146609     -8.57318849
  H     13.42467836     10.45050540    -10.16299533
  O     11.64875793      8.06300977    -11.38412062
  H     12.32232178      6.97881687     -9.99140385
  H     18.43846893      4.77873449    -12.64622119
  O     17.66573167      8.13707269    -13.40424960
  H     19.71501062     12.60468811    -10.52659795
  H     17.80231115      4.39780542    -11.29763312
  O     19.81252918      6.86681782    -10.57238815
  H     18.35504113     12.10171516     -9.97998908
  H     15.29813007      6.10854051    -11.27758719
  O     20.00180109      7.92249691     -7.87066832
  H     12.32810762      7.98156807    -12.07689729
  H     14.40628240      6.18612947     -9.97730825
  O     17.76953463      5.30084818     -9.49578775
  H     10.80556083      7.95058795    -11.81470929
  H     20.54865200      5.93828389    -13.60839380
  O     13.58988350      7.85610209    -13.26231404
  H     17.96756687      8.60618226    -12.61017938
  H     19.87180297      6.37913234    -12.28994149
  O     16.72435606     12.35551985     -9.43818800
  H     18.34682136      7.47708393    -13.58033260
  H     16.92344543     11.80477989     -6.05441800
  O     15.55180352      9.90835940    -13.73081595
  H     19.10984738      6.30734176    -10.20717434
  H     17.80668435     10.98083112     -7.02465888
  O     15.04447071     10.76153801    -11.03458682
  H     19.43472325      7.74957951    -10.70695101
  H     15.90330362      7.81292850     -9.98133384
  O     12.68265524     10.07463188     -9.67219437
  H     19.29509943      7.40150788     -7.47007089
  H     16.21247229      8.70549715     -8.75505608
  O     17.70418833      4.29205828    -12.25135810
  H     20.16044852      7.52767065     -8.73485068
  H     19.65155501      9.68235349     -7.69378456
  O     15.31261067      6.18694805    -10.31558870
  H     17.81402425      5.54155508     -8.56322344
  H     19.50446443     11.00839615     -8.48656814
  O     19.70275554      6.14510591    -13.21926912
  H     16.87207943      5.54298336     -9.77302624
  H     14.96964947      8.58831580     -7.03053333
  O     16.88408028     11.18474903     -6.77785390
  H     14.13773445      8.62209428    -13.46768932
  H     16.21991314      9.49559369     -6.78509431
  O     16.25308701      8.67566523     -9.71735396
  H     14.18863532      7.09835225    -13.29095320
  H     16.34403899      6.79620275    -13.19166461
  O     19.35498640     10.60176413     -7.62617121
  H     16.06852474     11.92368176    -10.00211534
  H     16.29841005      5.29128766    -12.87659249
  O     15.93369416      8.58572263     -6.94948518
  H     16.61125680     11.99914692     -8.54945473
  H     17.68828127      6.03895505     -6.02835039
  O     15.73481940      6.05795304    -13.05811502
  H     15.61947125     10.41918762    -14.53445871
  H     17.07244298      7.18275092     -6.86100953
  O     17.73155595      6.46993676     -6.87895099
  H     16.32068148      9.31577951    -13.71592792
  H     13.01640134      9.25180835     -8.18399713
  O     13.18291616      8.69418022     -7.40198932
  H     15.18264335     10.59786184    -11.97359500
  H     12.48223576      8.87919208     -6.78162836
          69
 Energy    -248.86850144497618     
  O     15.01292404      8.31948047    -15.89093763
  H     15.23500703      8.95796428    -15.20416307
  H     20.73957991      5.76721336    -16.38498209
  O     12.95874888      6.40637330    -15.62860037
  H     15.62471785      7.58155148    -15.75083015
  H     17.79770408      8.11832180    -17.68691174
  O     17.83638590      6.10709073    -12.96120233
  H     13.49738892      7.19822219    -15.76433908
  H     19.23818513      7.52406214    -17.52906656
  O     20.43490051      6.24733996    -18.18860206
  H     12.99041700      6.23626110    -14.67753037
  H     17.23517830      6.24868091    -14.68898362
  O     18.47034606      4.40599968    -18.20370288
  H     17.83620132      5.14175013    -12.96989831
  H     17.54673984      6.75046197    -16.12615066
  O     12.87579255      4.52576280    -10.51279928
  H     18.74645154      6.42683400    -13.00629354
  H     17.28666102      2.92561304     -9.66214727
  O     14.83140556      3.57255971    -13.97935387
  H     19.74789883      5.56250939    -18.29111883
  H     16.44440061      4.06418610    -10.28264228
  O     15.65190948      7.47704391    -12.08873813
  H     20.96837533      6.22788299    -18.97776359
  H     15.63863183      5.15406150    -16.19380809
  O     18.89245321      3.23074145    -15.56080846
  H     17.57936705      4.63471947    -18.49525713
  H     14.08991278      5.20745198    -16.31827239
  O     14.27034139      2.38567274    -11.47183609
  H     18.39943749      4.01647393    -17.32470383
  H     21.17486700      7.30116660    -12.95363700
  O     18.59371793      9.17887208    -14.55371556
  H     13.27686843      3.69006429    -10.81153833
  H     20.53663978      6.58583909    -14.16993671
  O     20.68887164      5.46434854    -15.47011285
  H     12.07739020      4.29899808    -10.04439529
  H     16.54613608      3.41702926    -13.51318519
  O     18.54141472      8.00993016    -17.07418577
  H     14.79342537      3.69851497    -14.93488974
  H     17.39430947      3.18834769    -12.23952125
  O     16.90862145      6.25445261    -15.59634067
  H     14.41610671      4.36033448    -13.59720677
  H     14.57787808      5.27256723    -10.03036695
  O     16.85638767      3.20072048    -10.46723860
  H     15.69987713      8.33520275    -12.52527887
  H     15.58477245      6.30276896    -10.57419153
  O     14.86918026      4.67254458    -16.54030218
  H     16.45343033      7.00057178    -12.35786153
  H     15.39445628      4.92773176    -18.19584804
  O     20.35186966      7.17806831    -13.41811523
  H     18.40060436      3.24085179    -14.72513329
  H     15.32924654      4.84345476    -19.73860375
  O     17.45858889      3.36198548    -13.18749872
  H     19.22288250      2.34006554    -15.66325470
  H     14.25314777      6.45900494    -12.66008107
  O     15.50977199      5.52491842    -10.00759217
  H     15.14586869      2.48514824    -11.07822371
  H     13.17903724      5.47613939    -12.11691939
  O     15.84787844      5.18847341    -19.01602349
  H     14.38432641      2.58836187    -12.41038337
  H     16.05017790     10.71507448    -13.49596794
  O     13.57031581      5.82650736    -12.92589420
  H     18.60431764      8.89254884    -15.47875227
  H     17.00654001      9.59875643    -13.97437562
  O     16.09289184      9.78212144    -13.68821666
  H     19.23710790      8.62068090    -14.10461196
  H     16.01510365      7.11769748    -18.72666080
  O     16.19620073      8.03427356    -18.48655401
  H     20.11847132      4.68610784    -15.47782948
  H     15.62821106      8.24195115    -17.73249494
          69
 Energy    -248.86827620193242     
  O     16.56311751     11.15172672    -16.13737443
  H     16.59559703     10.44866268    -16.80013372
  H     15.91392396      4.15780970    -16.49111350
  O     14.26489784      6.50359229    -16.02994683
  H     15.66194197     11.14848535    -15.79324688
  H     19.34900456      5.70053921    -14.19599477
  O     17.80628334      6.91466766    -11.53028550
  H     15.11214715      6.83665642    -15.69258628
  H     19.28916003      5.78614147    -15.74172088
  O     19.87054176      6.84653332    -17.13538136
  H     14.50044541      5.75376668    -16.58854890
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  H     16.57228587      5.64759833    -12.19741102
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  H     18.98807880     11.73590671    -14.23048716
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  H     15.47423133      8.86592635    -17.68724386
          69
 Energy    -248.86797246233482     
  O      1.91827578      0.00864356      5.00621871
  H      1.61393394     -0.35590703      4.16305254
  H     -1.91191026     -2.36437321      3.96782388
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  H      3.92943536     -1.99082906      6.39411457
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  H     -2.33564660     -3.10857589      8.50447730
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  H     -3.60292166     -3.97935028      8.35949371
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  H     -1.52230559     -1.76227931      5.90813571
  O     -2.43896687     -1.95904025      5.65812078
  H     -1.17596357     -3.45616837      3.17244523
  H     -2.77277467     -2.54527082      6.34545847
          69
 Energy    -248.86770298992900     
  O     -4.18810390      3.18792606     -3.10786927
  H     -4.20378816      3.69004790     -3.91879290
  H     -4.69274656     -1.03661000      3.92053692
  O     -5.11680289      1.86056107      2.42429342
  H     -3.25364173      2.99656722     -2.91704646
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  O     -3.30763838     -1.74583889      1.21512735
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  H     -4.82019481      1.40843269      1.61977923
  H     -1.67910018      2.56557546      0.89086115
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  H      1.03752571     -0.93091714      0.07267134
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  H      2.02599973      0.24570695      0.06673705
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  H      2.32429706      2.61597521      1.10922043
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  H     -6.08962762      0.83161362     -2.00696092
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  H     -8.31497772      1.57559723     -0.98396288
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  H     -6.92106179      2.18905182     -0.72233096
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  H     -4.37644085     -0.92324111     -2.63738027
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  O     -2.29229045      2.99224036      0.27459847
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  O      1.90196473     -0.65291212     -0.26269620
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  H     -7.06156234     -0.21183382      0.27845112
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  H     -1.03945525     -0.71587104     -0.53598863
  H     -4.35986780      0.66996623     -0.72564935
  O     -2.57813036      1.23359000      3.68292439
  H     -1.57377508     -1.39686746      0.74711306
  H     -4.53202463      5.01667574      2.18284671
  O     -6.89894195     -0.96986429      0.85195507
  H      1.66462697     -0.56931680     -1.99423972
  H     -4.75759571      3.49945378      1.96268149
  O     -3.96123830      0.74505193      0.14846459
  H      1.98356248     -0.90696435     -3.47132514
  H     -5.42537359      3.97912869     -0.06391529
  O     -4.43344757      4.31697098      1.54283313
  H     -6.65667693     -0.63741551      2.54660045
  H     -5.29410596      3.61530784     -1.56272379
  O     -5.91190102      3.63541167     -0.82187239
  H     -7.24878927     -0.57582355      3.97414477
  H      1.28040487      1.49643050     -2.58172095
  O      1.06206095      2.37234673     -2.23988138
  H     -3.54472780     -1.56574697      3.05672982
  H      1.32855948      2.36648806     -1.31196586
          69
 Energy    -248.86769659172094     
  O     13.77400445     12.36827025    -14.32510741
  H     14.72582399     12.50952407    -14.27569706
  H     17.25633383     11.17237112    -15.29574061
  O     14.70406149      6.53515934    -13.64594092
  H     13.62592034     11.78201637    -15.08045141
  H     15.19632032      8.18764627    -14.24052283
  O     18.26117829      8.31235913    -11.95240909
  H     14.18587171      6.33569027    -14.43947910
  H     16.12716888      9.27806241    -14.92051046
  O     11.50157732      8.39110055    -15.97823251
  H     14.10910296      6.80332193    -12.93363187
  H     12.83785654     11.78536757    -12.98318285
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  H     18.30800654      8.16306149    -10.99974211
  H     11.67899712     12.07216461    -12.00118682
  O     13.18702752      7.44972469    -11.52379044
  H     17.89711694      7.50008328    -12.33450495
  H     17.01597828      5.38944053    -11.29839973
  O     16.40868384     10.35101829    -12.26502318
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  H     17.31671860      6.04477007     -9.93493399
  O     15.99498036      6.89766945    -17.39757192
  H     11.46521449      8.53377896    -15.01437966
  H     11.95373503      8.25483390    -12.69740082
  O     14.25230579      5.80935274     -9.51920507
  H     14.92347000      8.98641754     -9.28138218
  H     11.71424645      9.74547267    -12.99316392
  O     13.48697166      6.33543271    -16.05811263
  H     14.91449142      7.50108369     -8.86586694
  H     19.05676637      8.53651999    -13.69064035
  O     18.22820612      6.24848219    -15.78857917
  H     13.42059176      6.81628029    -10.83370367
  H     18.72478592      9.21602029    -15.04574678
  O     17.51449164     10.35093742    -15.72904359
  H     13.54269707      8.30503890    -11.24245597
  H     17.66606187      5.86697270    -13.95112511
  O     15.31079459      9.12816401    -14.42570925
  H     15.89713676      9.95323493    -12.98924072
  H     16.31646434      6.08081063    -13.24424972
  O     12.31335000     11.40681379    -12.25531257
  H     17.12336895      9.72669171    -12.08163647
  H     17.08158885      8.00606017     -9.01243545
  O     16.79641615      5.35092276    -10.35841054
  H     16.11021760      6.38295143    -18.19487799
  H     18.50488774      7.82094214     -8.43450968
  O     11.51803674      8.85699147    -13.31362773
  H     16.73882420      6.66847650    -16.81983209
  H     14.96285907     10.01498637    -17.40881834
  O     19.20266151      8.47588853    -14.64219800
  H     15.13757015      5.56557154     -9.84435621
  H     15.84570527      8.78996354    -17.72854816
  O     17.26311921      5.93505348    -13.08033464
  H     13.93480646      5.07152728     -9.00585465
  H     14.99281556     10.15628510    -11.16151672
  O     17.98631414      7.71585343     -9.22745231
  H     14.24556768      6.59278984    -16.59584376
  H     13.48793883     10.50909759    -11.11618703
  O     15.81688538      9.75331659    -17.77981050
  H     12.81930046      7.02736889    -16.14563135
  H     17.15243089     13.21764672    -13.69332847
  O     14.16266929      9.95337987    -10.70640056
  H     18.95074626      5.70793822    -16.09887100
  H     16.63346425     11.82115403    -13.27724711
  O     16.64399569     12.47093848    -14.00068968
  H     18.62827508      7.05794752    -15.41970537
  H     14.11396477      9.87605603    -15.52389829
  O     13.54680198     10.29722297    -16.19081186
  H     17.01432440     10.27238941    -16.55582331
  H     12.76414760      9.73777591    -16.25766664
          69
 Energy    -248.86726523065715     
  O     13.13983838      9.48328741    -10.52666079
  H     13.27882736     10.11447594     -9.80994187
  H     12.62697153     15.92387441     -8.65114712
  O     11.13795170      6.79644996    -12.69440639
  H     13.75534990      8.75624274    -10.37624912
  H     10.19879416     12.01549150    -12.15887985
  O     13.05783476     10.86369107    -12.90464590
  H     11.56287422      7.42245823    -13.31004115
  H     11.71757151     11.97325178    -12.48082937
  O     13.54853515     11.26889272     -8.42522525
  H     10.62381778      6.19680930    -13.22855549
  H     11.91278931      9.75123877     -5.75360749
  O     14.96064847      7.48445711     -9.79174082
  H     13.09623201     10.32427271    -12.10009918
  H     11.41687463      9.74476793     -7.22146498
  O     14.94980583     14.85471462    -12.73956351
  H     13.89687396     11.34010616    -12.93690814
  H     10.17015426      9.66443638     -9.15484626
  O     15.51760290     12.11253713    -12.58296040
  H     13.22467946     10.71910767     -7.70249413
  H     10.45240145     11.11973787     -8.70393576
  O     15.20733100     14.56105335     -9.89702727
  H     12.80502671     11.81635791     -8.72067391
  H     12.74788178      6.45817017     -7.40252767
  O     10.49748796      8.74238971    -10.77848430
  H     14.62538037      6.90190792    -10.49117360
  H     12.96811232      7.96447715     -7.21087633
  O     12.32537853     14.99897831    -12.08052536
  H     14.46774203      7.30532414     -8.97867953
  H     16.37114451     10.97199663     -9.83306182
  O     16.51180699      9.48771606    -12.87968897
  H     13.98925621     14.91893744    -12.58891749
  H     15.10002046     11.63682368     -9.25502012
  O     12.64062188     15.15233687     -9.21089949
  H     15.18244993     15.55920503    -13.33791746
  H     12.61478929      9.39088007    -13.94934349
  O     11.01490610     12.53239670    -12.11845960
  H     15.61917316     12.02461373    -11.62386706
  H     13.41339535      8.14244116    -14.35202960
  O     12.17567448      9.53829355     -6.64521636
  H     15.39789725     13.05331912    -12.76061474
  H      9.43887713     10.00219889    -11.58062477
  O     10.22735138     10.23739359     -8.37942998
  H     15.57631125     13.67735720     -9.77516480
  H      8.06292840     10.68574572    -11.56328267
  O     13.38024793      7.15801516     -7.55284361
  H     15.25540043     14.74036197    -10.84461272
  H     15.72315298      7.11211945    -14.76124243
  O     15.87853230     11.80136842     -9.80741705
  H     11.41628487      9.02432193    -10.65218604
  H     15.64920447      8.20315843    -13.67054908
  O     12.51525326      8.49231472    -14.29120985
  H     10.55261262      7.98746000    -11.37716657
  H     17.82326582      8.85267390     -9.68920389
  O      8.93368160     10.74330443    -11.94943036
  H     11.78399775     14.20649084    -12.20278792
  H     16.32282460      8.56922342     -9.93271560
  O     15.15709847      7.47139552    -14.08330695
  H     12.31589392     15.18041653    -11.13346877
  H     14.33287516      6.53559889    -12.67076178
  O     17.03184083      9.22114616    -10.07358856
  H     16.24110068     10.41246029    -12.94457077
  H     12.92768578      6.29217444    -12.08555829
  O     13.86716582      6.17753347    -11.90295624
  H     16.78503895      9.36027652    -11.96367493
  H     11.22870315     12.59637490    -10.31939817
  O     11.36549177     12.66825166     -9.36353349
  H     13.57747967     14.94361191     -9.37758025
  H     11.69111198     13.56363890     -9.20354012
          69
 Energy    -248.86679417365087     
  O     21.41242395     10.09139819    -15.48825756
  H     21.34569388     10.89315129    -14.94132182
  H     19.24840013      9.94616812    -10.42625601
  O     19.53135520     13.00634589     -9.61316433
  H     22.30220154     10.06417881    -15.83153818
  H     20.43719854     16.82543761    -12.21477207
  O     15.25230470     12.63688822    -11.98439800
  H     18.89143355     13.22248051    -10.31248413
  H     18.92065691     16.59495531    -12.18968019
  O     20.93758167      9.25910034    -10.98451097
  H     19.88745254     13.85535538     -9.32690414
  H     20.89679824     12.35088881    -10.62884657
  O     16.09071397      9.89361468    -11.47178673
  H     16.08525694     13.01412082    -11.66418572
  H     21.52994433     11.03014362    -11.10987556
  O     19.23649495     10.91288390    -17.14832291
  H     15.37103774     11.68510541    -11.89880518
  H     17.05288405      9.21858174    -14.60671832
  O     20.13873025     14.75185161    -14.80113932
  H     20.70429515      8.95105570    -11.87874559
  H     16.86299793      9.22272119    -13.04322554
  O     20.58387128     15.62500023     -9.37837654
  H     21.35923880      8.52697560    -10.54270767
  H     18.97968248     12.74572309    -17.11109932
  O     20.90210040     12.23448858    -13.86973242
  H     16.91218351     10.09287373    -10.98642172
  H     19.23456340     14.08610340    -16.35677797
  O     15.26258018     14.44428414    -14.02764720
  H     15.54804755      9.37911655    -10.87888255
  H     22.68945668     16.86533039    -13.51119090
  O     16.57372157      9.92286140    -16.25881641
  H     18.44524329     10.43108136    -16.88701876
  H     22.22480222     15.69746182    -12.60909949
  O     18.44012210     10.41291956    -10.18122475
  H     19.96490167     10.53723172    -16.63955083
  H     18.53848093     15.32681233    -14.02041875
  O     19.66607331     16.85374917    -11.63384170
  H     20.45221558     13.88337613    -14.51126829
  H     16.99043769     15.35211793    -13.77030217
  O     21.59652567     11.98936236    -11.19310340
  H     20.76474896     15.38452797    -14.42771288
  H     22.41273371     13.70210728    -11.24423818
  O     17.48335193      9.03489378    -13.76037825
  H     20.17724959     16.08471964    -10.13483168
  H     21.99854974     14.98921377    -10.51085583
  O     18.62856657     13.63648104    -16.95730008
  H     20.66032208     16.26779320     -8.67827808
  H     20.62415813      8.93280324    -14.21198214
  O     21.93449517     16.32424374    -13.29616310
  H     19.95421906     12.02530877    -13.84096833
  H     19.25010464      8.55539497    -13.59854808
  O     17.84143584     15.64979769    -13.43015126
  H     21.21901038     12.19630740    -12.95794932
  H     18.06996261     10.78206195    -13.65031111
  O     22.54656330     14.65793732    -11.23397010
  H     15.16426488     13.79632539    -13.30696060
  H     17.67032303     12.07320063    -14.41356507
  O     20.20535095      8.49860392    -13.45934856
  H     14.44884343     14.94041915    -14.06418595
  H     15.96200815     13.25345709    -15.24403156
  O     18.24295682     11.72846264    -13.71639774
  H     16.42079736     10.87379871    -16.11867481
  H     17.16138455     13.05230283    -16.23677417
  O     16.47298704     12.59399245    -15.72591079
  H     15.99901144      9.65493854    -16.97151555
  H     18.00876595     12.81176875    -12.30551733
  O     17.85606244     13.51816143    -11.65947030
  H     18.73204824     11.25038193     -9.80164282
  H     17.90025727     14.34662541    -12.15266587
          69
 Energy    -248.86646779870415     
  O     -2.71037382      4.86588323      3.46736423
  H     -2.71406855      4.22842807      2.73292067
  H      0.09042525      6.67307112     -4.49796260
  O      1.21453184     10.52149016      0.27451999
  H     -3.21842518      4.47410335      4.17338450
  H      2.47852747      3.17534278      2.60635992
  O     -1.10687766      8.11458666     -1.85967224
  H      0.42529026     10.73747622     -0.23759111
  H      1.17628816      4.01229350      2.59515322
  O      0.37795154     10.56391366      2.86162655
  H      1.37529499      9.58120355      0.11183556
  H     -1.71886173      1.47578004     -2.15790988
  O     -2.19114162     10.23265282      1.62007718
  H     -1.18944708      9.06324718     -1.70063806
  H     -2.52668597      2.60364538     -2.79542271
  O      1.06669520      7.73844800     -0.09109908
  H     -1.81488655      7.69454092     -1.34800188
  H      0.84064904      3.09861686     -2.50999066
  O     -2.90727678      6.81050981     -0.23338981
  H      0.81436673     11.21554850      3.40289893
  H      0.76705008      4.53936489     -3.10729601
  O     -2.54916645      7.51547253      2.42854059
  H      0.76238537     10.63265336      1.96873070
  H     -0.79216960      4.99377744      3.54240624
  O     -1.19572690      4.69438115     -0.48660885
  H     -2.51696871      9.38048274      1.93392902
  H      0.27653521      6.05312079      3.20725926
  O     -2.55564880      3.17063141      1.32646756
  H     -1.41228856     10.43013815      2.15609749
  H     -3.86325134      2.14333762     -1.18831006
  O     -0.15709419      1.66019467      0.88984539
  H      0.33363399      7.82752166     -0.71354944
  H     -5.27959711      1.92451738     -0.60853171
  O     -0.25809874      6.23662152     -3.72405547
  H      1.38559344      6.82700566     -0.15816050
  H     -3.05545882      4.72944050     -2.82018630
  O      1.73334995      3.41541336      2.06225650
  H     -2.29882654      6.05486842     -0.26194124
  H     -1.67172586      5.05181861     -3.49881110
  O     -2.62361530      1.75153391     -2.34412990
  H     -2.90310621      7.12370872      0.67912470
  H      1.69343112      4.60681102     -1.06386877
  O      1.34124534      3.91219631     -2.65561248
  H     -2.75361064      6.67289865      2.85124734
  H      1.76862942      4.44918699      0.50529635
  O      0.15603702      5.11879275      3.42614765
  H     -1.58473894      7.60268165      2.47304216
  H     -4.62828644      4.31428812     -1.31344518
  O     -4.51078161      2.48473961     -0.54411567
  H     -1.42102823      4.45627745     -1.39553642
  H     -4.15144052      5.78613317     -1.21719636
  O     -2.21237134      4.35160312     -3.11754463
  H     -0.24147085      4.81375404     -0.41994271
  H      0.34568649      8.68061753      2.83950480
  O      1.59376218      5.06545642     -0.21534263
  H     -2.01812193      3.70421079      0.71886223
  H      0.52700667      7.72827441      1.63166716
  O     -4.50404864      5.12233842     -1.82558947
  H     -3.31263718      2.86849636      0.80845451
  H      0.06126730      1.49643257     -0.83848197
  O      0.22738450      7.76769702      2.55181665
  H     -1.01240829      2.01613994      1.15865407
  H      0.64738190      0.63785325     -1.98077174
  O      0.14513603      1.43026702     -1.80610171
  H      0.51085667      2.19497928      1.33764698
  H     -1.85773399     11.50322957     -1.27079042
  O     -1.38634749     10.74590252     -0.93389808
  H     -0.52048562      6.94010970     -3.10821427
  H     -1.74915794     10.56274477     -0.04831971
          69
 Energy    -248.86613510326163     
  O     12.20540553     12.15066577    -13.12076567
  H     11.84881587     13.02563393    -12.99144834
  H     12.67778256     10.09899304    -16.52186129
  O     19.08808887      9.55925578    -12.87236421
  H     13.03749177     12.25379600    -13.61464136
  H     16.14619703      9.22206864    -14.93545209
  O     15.73122872     10.10028277    -11.73341433
  H     18.77310633     10.35593323    -12.43371968
  H     14.72894242      8.89767531    -14.45091646
  O     11.55063368     10.10181479    -15.06317565
  H     19.05761501      9.74049692    -13.82365473
  H     14.40199107     12.92551233    -18.02143362
  O     13.71857512      7.35477767    -14.66232136
  H     15.72933358      9.89022420    -12.68020718
  H     14.31183988     11.51905984    -17.38694941
  O     14.78948114      5.78953804    -12.65948265
  H     16.44005350     10.73778963    -11.58947116
  H     13.20749810      8.52515454    -10.21782838
  O     18.66804332      7.07725962    -11.94717217
  H     11.65024080     10.85886685    -14.47432904
  H     14.39763579      7.56424094    -10.00257292
  O     14.49616240     12.17088351    -14.59705525
  H     11.35498273      9.36096781    -14.47739250
  H     18.39261566     10.82209413    -15.96918551
  O     16.10654116      7.49685074    -10.87312731
  H     12.90876460      7.63292811    -14.21622728
  H     18.28792579      9.28444449    -15.90756268
  O     17.19582213      6.07658989    -14.17950235
  H     14.17524918      6.76638951    -14.04569267
  H     16.11986584     12.92583876    -14.03161856
  O     17.55549294     12.39501044    -16.68948567
  H     13.92598873      5.59887262    -12.27437336
  H     17.41749276     12.96627498    -14.83135386
  O     13.33505849     10.14129921    -17.23148097
  H     15.24356708      6.36988298    -12.02994093
  H     18.28584553     12.50943083    -11.09466105
  O     15.42198405      9.56858114    -14.40100217
  H     19.49960050      6.72565206    -11.64177784
  H     17.64987719     12.38378475    -12.49989852
  O     14.82641112     12.34864142    -17.39203758
  H     18.84817307      7.97774043    -12.27651232
  H     13.94100051     10.09117742    -11.49562482
  O     13.44710068      7.66170785     -9.85731402
  H     14.79606362     11.24978227    -14.54025162
  H     12.61924582     10.78706186    -11.88156660
  O     18.78966049     10.04097482    -15.57050090
  H     14.50464205     12.39094849    -15.53606443
  H     17.11520692      7.27522297    -15.50062067
  O     17.05980769     13.13601473    -13.95247546
  H     17.01817860      7.26841296    -11.09537101
  H     16.24593638      7.82047852    -16.67293777
  O     17.88604065     11.88733973    -11.69599041
  H     16.00525409      8.42741899    -11.12175570
  H     12.07245952      8.75189932    -12.46115204
  O     12.97739318     10.00306366    -11.44760625
  H     16.39432406      5.76540895    -13.74322812
  H     11.63446601      7.27184368    -12.52949180
  O     17.01789916      8.00874400    -16.12888443
  H     17.77946168      6.36462977    -13.46574612
  H     11.70079683      5.18396583    -10.91569680
  O     11.62607189      8.10077080    -13.02322914
  H     16.63416856     12.33538242    -16.98420425
  H     12.60646175      6.43068368    -10.76584158
  O     12.21226073      5.81661154    -11.41260943
  H     18.04232018     12.80444076    -17.40180133
  H     14.12953164      7.35937273    -16.36924652
  O     14.44192910      7.50266477    -17.28034972
  H     13.69438293      9.25394482    -17.33951981
  H     14.15211001      6.75122783    -17.79155652
          69
 Energy    -248.86572530244038     
  O     17.41106827      8.54981557    -14.05435058
  H     17.68724993      9.47388298    -14.08041125
  H     12.88419658     11.71904055    -14.37968252
  O     12.16505326     10.15203146    -10.04124934
  H     17.92869828      8.12706783    -13.35265161
  H     16.82939486      6.04994585     -9.83478996
  O     11.17561629      9.81782611    -12.52665816
  H     11.74067127     10.00227719    -10.90688966
  H     17.60085522      4.92656880    -10.56338762
  O     15.55742493      6.57147153    -14.76131129
  H     11.46482987     10.20322745     -9.39637871
  H     13.51654828      8.92100955    -10.35027653
  O     18.74844130      7.48780829    -11.90505444
  H     11.44842228     10.59095321    -13.03736560
  H     14.47419577      8.83264540    -11.56428666
  O     19.68198147     10.15235917    -11.68843102
  H     11.31796620      9.04345586    -13.08318465
  H     18.15240479      4.51395989    -12.65637680
  O     16.82006915      7.95099573     -9.92865655
  H     16.24969505      7.23258353    -14.61864754
  H     19.53691330      4.04890318    -12.14104426
  O     11.68319042      7.43681046    -14.02844634
  H     14.97591454      6.58639422    -13.98800163
  H     15.77332844     10.91375087    -12.05264387
  O     16.60176482     11.70886459    -15.91896265
  H     18.91871333      6.54004728    -11.96183035
  H     15.25202777     12.16815475    -11.35705673
  O     13.58520906      8.23457250    -16.02007557
  H     18.07557787      7.61543452    -11.22051489
  H     16.38240936      4.96748021    -14.17266612
  O     14.07245036     10.81164878    -15.27532168
  H     19.16481626     10.37668894    -10.90523008
  H     16.02902863      4.02782271    -13.00281092
  O     12.22923893     12.12963919    -13.78886424
  H     19.58219790      9.19595370    -11.78469235
  H     15.87863029      9.13221704    -13.34365168
  O     16.81563378      5.10455543    -10.03013075
  H     17.14980029      8.82383203     -9.68079737
  H     14.64509459      9.97991539    -13.75358056
  O     14.20228025      8.37409861    -10.75093857
  H     15.88324264      8.06581530    -10.14367624
  H     17.38332274     11.64881315    -12.94941913
  O     18.85484334      4.70101400    -12.00759236
  H     12.36365719      6.98551034    -13.50093001
  H     18.76622302     10.98557763    -13.02696965
  O     16.07022104     11.69650946    -11.56521184
  H     10.99821147      6.79427019    -14.19927519
  H     14.00240303      5.48188200    -12.20167199
  O     16.72919724      4.24796688    -13.62934569
  H     17.16832176     11.78971889    -16.68257677
  H     13.84933991      6.98717736    -11.84848096
  O     15.08428917      9.56407064    -13.00179867
  H     17.19266577     11.66425631    -15.15154510
  H     17.77938934     11.21491086     -8.87879649
  O     18.03887728     11.31416071    -13.57584700
  H     12.84493438      7.98088560    -15.45488639
  H     17.10646550     11.06588421    -10.26241345
  O     13.72415378      6.33642381    -12.55400329
  H     14.30061754      7.62759564    -15.79250229
  H     13.05349445     11.76552646    -10.69952671
  O     17.69863865     10.62843666     -9.62689672
  H     14.92624535     11.14579498    -15.58446552
  H     13.04855105     12.46553962    -12.06748809
  O     13.46857236     12.47946180    -11.19834928
  H     13.90326698      9.94875860    -15.68369571
  H     15.48959641      4.38690121    -10.90101183
  O     14.81690547      4.00434027    -11.49349453
  H     11.79387736     12.81109105    -14.29469171
  H     14.48304884      3.22213427    -11.06306339
          69
 Energy    -248.86563167643590     
  O     11.24042803     10.78932777    -14.40903832
  H     11.04337915     10.46059966    -13.52357597
  H     15.67781618     11.57629789    -16.27596202
  O     16.12853079      6.86704142    -13.71310186
  H     11.87146806     11.51377587    -14.31679486
  H     15.94024555      9.91516049    -14.68740373
  O     17.17617053     10.77086183    -11.43400520
  H     16.88382116      7.17471116    -13.19134011
  H     15.61929137      8.55496834    -13.99133299
  O     17.24960455     10.94991318    -15.52090159
  H     15.40204808      6.73497340    -13.08659772
  H     11.01238515      8.47234920    -12.44763274
  O     14.39405041      8.82602877     -8.38910340
  H     16.28503944     11.06284868    -11.66457182
  H      9.84283722      9.14242775    -11.68760984
  O     14.13895028      6.92277199    -11.77629865
  H     17.16474863     10.47739044    -10.51036419
  H     18.16733709      7.35921383    -10.61098735
  O     14.59575394     11.31752394    -12.35547564
  H     17.79299287     11.31893437    -14.81365229
  H     18.93151560      6.57738886     -9.51896404
  O     16.58138340      7.37814168    -16.48367966
  H     17.80015180     10.30916473    -15.99007981
  H     12.53783273      6.83473048    -12.77403515
  O     15.36541364      6.30695536     -9.39645704
  H     13.80525859      9.02667685     -7.66610783
  H     12.11369375      7.53656950    -14.08173117
  O     18.80591331      8.88374695    -16.61435184
  H     13.93391339      9.08377227     -9.20576524
  H     18.31668578     11.42829410    -12.60204246
  O     19.90561486      9.09375608    -13.99160105
  H     13.88094925      7.81901798    -11.52621711
  H     19.32623573     12.50336267    -13.06673179
  O     14.75054794     11.65049704    -16.54243121
  H     14.53714743      6.53659127    -10.98263754
  H     17.66460089      9.01459717    -11.96454003
  O     15.28643821      9.44669138    -14.15290230
  H     14.16518860     11.97507034    -12.91289667
  H     18.79554102      8.36823943    -12.80560223
  O     10.73638662      9.28669095    -11.98729523
  H     14.83384277     10.59536454    -12.96289093
  H     16.16576351      9.41220047     -8.68211765
  O     18.11715235      7.04220926     -9.69342963
  H     15.80597394      7.83850558    -16.82646667
  H     17.50469130      8.75640429     -9.06122554
  O     11.76695246      7.13570056    -13.27316714
  H     16.36064001      7.04513977    -15.60410233
  H     13.91962820      8.65310740    -18.36489112
  O     18.87766662     11.70944217    -13.34568310
  H     16.31918367      6.44239713     -9.45903414
  H     13.70208859      8.78009360    -16.84061645
  O     18.06923255      8.16844868    -12.19656778
  H     15.02499679      7.07260152     -8.91678797
  H     13.69458672     10.19679848    -11.26923376
  O     17.06525301      9.61112837     -8.97128364
  H     19.26363374      8.73390509    -17.43683475
  H     12.33798621      9.45526594    -11.11021656
  O     14.35189720      8.90934029    -17.55363976
  H     18.04738067      8.27192462    -16.59799440
  H     13.81715246     12.36351861    -15.21242169
  O     13.25116700      9.47918050    -10.79623079
  H     19.63003964      8.95377800    -14.90659602
  H     13.16916263     13.65369847    -14.66752078
  O     13.34871963     12.74299659    -14.44779821
  H     19.73268010     10.02477399    -13.80309497
  H     12.20605941      9.46739065    -15.11583793
  O     12.84844098      8.76859942    -15.31121474
  H     14.55160246     10.81712205    -16.98308285
  H     13.67312840      9.02123461    -14.86976835
          69
 Energy    -248.86542199821014     
  O     17.54876677      9.23400827    -15.81833255
  H     16.99697556      9.48367647    -15.06482933
  H     16.88202634     12.23488708    -17.11954599
  O     18.14576851     16.07815167    -15.78957169
  H     17.38528184      9.89982401    -16.49886978
  H     18.40055336      9.39322689    -11.27864431
  O     21.95050635     10.36799731    -15.81512270
  H     18.02891432     16.85787926    -16.32561276
  H     17.91216201     10.68576309    -10.58930467
  O     18.72979405     12.36695787    -10.12035395
  H     18.96974893     15.65041741    -16.08940117
  H     21.28753817     16.15709252    -10.97108619
  O     15.06417593     12.94847931    -13.58642053
  H     21.85158984     10.92598445    -15.02331990
  H     19.83312232     16.28526014    -11.47059881
  O     20.04414430      8.60454349    -11.82878235
  H     22.88269318     10.19587614    -15.91849249
  H     20.80129484     10.18257965    -11.24068958
  O     16.51714036     10.44255598    -13.53878965
  H     18.24360366     12.84209003    -10.80890226
  H     20.22316945     11.52876717    -10.72739531
  O     19.95931688     12.04017314    -16.91627615
  H     19.09824349     13.03871672     -9.53313473
  H     20.33683630     13.86440151    -16.70471506
  O     21.42999954     14.67888407    -13.75105308
  H     15.50693545     13.23906236    -14.40223394
  H     20.94749499     14.75274893    -15.59275429
  O     20.03588947     14.42611922     -8.72871690
  H     14.13390016     13.12619761    -13.69689168
  H     22.84890489     14.61849830    -10.97337837
  O     21.33893072     11.93375388    -13.65652642
  H     19.99476747      8.64599978    -12.80157907
  H     23.84651980     15.73662035    -11.36517041
  O     17.25393882     11.45982517    -17.55456581
  H     20.23118605      7.69737303    -11.60295973
  H     18.61613688     16.03683741    -13.94732860
  O     17.61227011      9.91911096    -11.09217852
  H     15.88193070     11.16288172    -13.47968820
  H     18.36993754     15.10376739    -12.73465782
  O     20.37917823     16.29320636    -10.67421514
  H     16.79929911     10.21858759    -12.63838265
  H     21.66553155     13.62892636     -9.38093667
  O     21.02844600     11.10379356    -11.05871022
  H     19.41858751     11.96337292    -16.11827387
  H     22.09216521     12.45532751    -10.28190430
  O     20.42394119     14.77835573    -16.40378852
  H     20.69126328     11.42575786    -16.78205111
  H     20.62470704      9.17391443    -15.04715250
  O     22.97341528     15.39869111    -11.54385734
  H     20.57556983     15.05689871    -13.49872476
  H     19.10764954      8.85749086    -15.02803995
  O     18.94644133     15.80447172    -13.07121732
  H     22.06730540     14.96995840    -13.08660461
  H     18.08501778     11.30300093    -14.15800675
  O     22.39150573     13.30232615     -9.92743206
  H     19.90923096     14.84352840     -7.88093078
  H     19.55497454     11.88501667    -14.05748041
  O     19.92424100      8.79105246    -14.51016412
  H     20.09190448     15.13975975     -9.38928994
  H     17.08817053     14.52666331    -15.78263665
  O     18.65043642     12.06655344    -14.34433687
  H     21.43224116     12.89639270    -13.68436768
  H     17.43752109     13.11467604    -15.27289167
  O     16.72772423     13.63789346    -15.67357447
  H     21.31762015     11.65363966    -12.73159906
  H     16.55571215     13.47208995    -12.51389917
  O     17.48821885     13.57757835    -12.29027652
  H     18.19439134     11.65313814    -17.66080495
  H     17.96934874     13.04640463    -12.94210987
          69
 Energy    -248.86525977017703     
  O     11.96740158     10.57420697    -14.65861082
  H     12.68913995     11.19683908    -14.80277120
  H     19.28719932      6.52804781    -14.34828994
  O     15.28481244      6.36112050    -12.84963394
  H     12.14965476      9.81389226    -15.22663812
  H     16.47896673     10.47685085    -16.36636297
  O     17.52249078      9.52317834    -15.20402481
  H     15.14348237      7.12211616    -13.43508607
  H     15.37052544     10.13078511    -17.38310394
  O     11.80377891      5.90188559    -14.93044997
  H     14.71675946      6.50558191    -12.08195262
  H     15.82338284      8.80933617    -14.78978334
  O     15.68898033      9.99195640     -9.02429844
  H     18.05783064      8.75862543    -15.44551541
  H     14.82790773      9.34587671    -13.73989853
  O     13.84352523      7.10905319    -10.58021244
  H     17.72909886      9.76164900    -14.28908812
  H     11.34842918     10.07779933    -13.11202571
  O     15.02288044     10.85074769    -12.70591390
  H     11.05356910      5.32491302    -15.04477891
  H     10.16252783     10.10911224    -12.11976801
  O     16.28769969      6.56720486    -16.86678844
  H     11.75895050      6.23814508    -14.01712939
  H     12.33017014      6.84918725    -11.73346233
  O     16.39386421      7.22400161     -9.29833708
  H     15.93395004      9.05848383     -9.01247670
  H     11.38673960      7.88196048    -12.37911858
  O     18.76290136      7.11004355    -16.00956329
  H     14.83056218     10.03451568     -9.46345402
  H     17.67885520      9.08971723    -12.19377905
  O     14.56775689      5.11175358    -15.24884512
  H     13.68471999      8.06456664    -10.62426976
  H     17.86956768     10.54634890    -11.68737590
  O     19.54390389      6.26422354    -13.45168983
  H     14.61292407      7.00180328    -10.00887081
  H     18.38823826      6.93515092    -12.24404783
  O     15.74281284     10.85602701    -16.86817821
  H     15.97292718     10.68647695    -12.62688071
  H     16.84099511      6.90993317    -12.17617849
  O     14.97867254      8.62174089    -14.36102795
  H     14.86335792     11.44968077    -13.44620107
  H     17.04848792     10.93712911     -9.67490825
  O     11.03137626      9.74042317    -12.25514772
  H     15.68106441      6.00929334    -16.35776514
  H     18.07331180     12.07769266     -9.54270311
  O     11.68097545      6.96430035    -12.43737252
  H     15.74786480      7.20154105    -17.34919113
  H     14.16957285      8.45579413    -18.96172410
  O     17.68727629     10.01459846    -12.47642285
  H     16.87598331      6.68572280     -8.67563413
  H     13.85912055      8.43636308    -17.44737318
  O     17.62995068      7.29068676    -11.76104558
  H     16.92589087      7.25380611    -10.11130726
  H     13.99360009     10.26415646    -11.40407017
  O     17.80351975     11.36462666    -10.11416625
  H     17.87629462      6.85072958    -16.32385191
  H     12.52520764      9.89003066    -11.11710351
  O     14.57144746      8.54367341    -18.10097927
  H     19.33508178      7.10779935    -16.77268170
  H     14.29576356     13.15138832    -15.27031525
  O     13.41320740      9.85548054    -10.74250617
  H     13.61770336      5.27139038    -15.22115075
  H     14.79441357     11.76252909    -15.73195297
  O     14.29183752     12.22653359    -15.03863506
  H     14.88229481      5.33617440    -14.36229791
  H     13.59463950      8.35621113    -15.41866239
  O     12.83263287      8.26054310    -16.01473558
  H     19.91807723      5.38988094    -13.53453450
  H     12.38442350      7.44688042    -15.75350999
          69
 Energy    -248.86519801085512     
  O     17.31386027      9.94740339    -10.70632203
  H     17.75199356     10.60645075    -10.15518113
  H     14.36219490     11.30313836     -4.47294178
  O     14.02302453      6.57408225     -5.89914136
  H     17.92272025      9.22225921    -10.90625793
  H     16.60633352      5.02309735    -11.31365668
  O     18.18624395     11.78646432     -8.69631005
  H     13.68727836      5.72491751     -5.62339928
  H     16.77464532      5.45927960    -12.78299082
  O     12.89681179      9.15411090     -6.28195403
  H     14.31371457      6.47496359     -6.82101517
  H     14.23057523      6.77740319     -9.24233519
  O     14.72800890      9.71506052    -11.62229419
  H     18.70573855     12.57856540     -8.80515304
  H     15.32647763      7.44774126     -8.40007298
  O     18.59622488      7.57265406    -11.24259850
  H     18.76096883     11.13150485     -8.25866263
  H     17.95530978      6.88172941    -14.64835887
  O     20.56278922      7.77917679     -9.22609992
  H     13.16359830      8.24186657     -6.11327507
  H     16.72918975      7.35258732    -13.82936888
  O     17.24253185      5.66442760     -9.66702347
  H     12.48148332      9.15832274     -7.15260290
  H     14.93136578      8.69056165    -13.15481439
  O     11.79074003      9.10954765     -8.88839486
  H     15.66088820      9.82693564    -11.39123394
  H     14.50849826      7.26052718    -13.54838093
  O     15.48063840     11.54442896     -7.77702093
  H     14.24412783     10.37117115    -11.09977406
  H     15.79340845      9.75381086     -8.06843461
  O     13.47501043     11.30378371     -9.76646939
  H     18.11299859      6.93261271    -10.70067091
  H     16.60517434      9.14791976     -9.22019936
  O     14.74523613     10.78396181     -5.17568572
  H     18.37379163      7.37601201    -12.16123981
  H     20.12013147      9.23569394     -8.19892323
  O     16.22864133      4.92054997    -12.19678402
  H     20.04136073      7.73732687    -10.03834058
  H     19.18798191      9.29862242     -6.98307411
  O     14.84916512      6.60924585     -8.52033011
  H     20.25079507      7.04087617     -8.68973842
  H     15.30677016      7.63156610     -4.90295771
  O     17.58955019      6.89970037    -13.76827041
  H     17.90093945      5.57706503     -8.96570269
  H     15.62383268      9.12205274     -4.66561839
  O     15.10053926      7.98182973    -13.79110241
  H     16.40646362      5.89839622     -9.24255364
  H     13.28538677      6.88300913    -11.31096800
  O     16.19864651      8.93220010     -8.37152376
  H     10.87122908      9.11732357     -9.14482030
  H     13.82888051      8.29187082    -10.95094506
  O     19.68886385      9.85462405     -7.59194427
  H     12.24411202      8.50934624     -9.50240204
  H     19.54568568      5.24520559     -6.96070538
  O     15.97195118      8.23058535     -4.54141501
  H     16.40698813     11.74070814     -7.96964073
  H     18.73409203      6.55509612     -7.10208030
  O     13.28773940      7.55775625    -10.62078470
  H     15.36431925     11.44814299     -6.82276397
  H     17.38903073      8.31517144     -7.15003814
  O     19.13927273      5.82370782     -7.60066818
  H     14.12206135     11.49339674     -9.07341731
  H     17.38014588      8.02188187     -5.63807470
  O     17.93455814      7.96998899     -6.42819982
  H     12.83620973     10.69441771     -9.38007473
  H     13.20590117      5.03323929    -13.13651046
  O     13.68032721      5.71674171    -12.67146588
  H     14.02028356     10.25863137     -5.56366406
  H     14.56683579      5.36164776    -12.47732631
          69
 Energy    -248.86505852801582     
  O     -6.70750476      2.68888422     -1.17199002
  H     -7.16885628      1.85279656     -1.31697291
  H     -5.96436705      0.77170922      3.03668493
  O     -4.53329639      2.18165758     -3.14397560
  H     -5.95558076      2.68940750     -1.77306101
  H     -4.71880306     -0.27718720      5.10087767
  O     -6.92135065      3.49927570      1.41695203
  H     -4.76686953      2.26924560     -4.06536270
  H     -4.26934939     -0.47047320      3.63322896
  O     -3.70032464     -1.42030211      2.21954749
  H     -4.73396467      1.26406777     -2.89052772
  H      0.00699858      2.00705784      2.05589743
  O     -1.37864383     -0.82540578     -1.25847646
  H     -6.83927443      3.27918356      0.47159289
  H     -0.93184190      0.78370733      2.15912649
  O     -5.17137796     -0.24662879     -2.06705716
  H     -7.61734943      4.14727639      1.48882020
  H     -1.94795085      2.44533838      1.12835600
  O     -5.17139775     -3.24591767      0.71800582
  H     -4.17475821     -2.18394495      1.86920309
  H     -3.14895863      3.40988961      0.89969092
  O     -3.66268128     -2.48416753     -1.40030976
  H     -3.82329317     -0.71875257      1.55892063
  H      0.83439496     -0.86183888      1.31891073
  O     -1.94021871      1.84368345     -1.98983724
  H     -0.46033412     -0.95146357     -1.52968207
  H      1.79800732      0.32377467      1.12350653
  O     -1.04972418     -0.92300415      1.51468463
  H     -1.63296351      0.06363582     -1.54188208
  H      2.22780051      2.92895438      1.14871872
  O      1.39859482     -0.88204695     -1.71313797
  H     -6.13531695     -0.24859120     -2.01272055
  H      1.31135990      2.21806034      0.12557183
  O     -6.48089239      0.87347453      2.22768614
  H     -4.84666707      0.01329652     -1.18830860
  H     -7.76990660     -0.43976753     -0.73120615
  O     -4.64885878      0.16807919      4.25999764
  H     -4.61515225     -3.03358981     -0.05396520
  H     -8.73918182     -0.15590384     -1.90416148
  O     -0.85584585      1.72207809      2.38290146
  H     -5.32205654     -4.18705033      0.69620877
  H     -3.60434713      1.77823839      4.10700750
  O     -2.58958346      2.74536308      0.47101799
  H     -2.80042856     -2.05203581     -1.34814523
  H     -2.27571009      2.31209680      3.53457539
  O      1.70750560     -0.62628658      0.97635299
  H     -4.23723236     -1.82972089     -1.82087169
  H     -6.63931520     -1.97097481      0.73156224
  O      1.57011822      2.24393929      1.06419939
  H     -2.71554074      2.02764745     -2.52954954
  H     -7.10263525     -0.61490867      1.33418050
  O     -7.89099945      0.08599448     -1.54335126
  H     -2.12415215      2.25246025     -1.12783128
  H     -5.11405412      0.78511933      0.98059921
  O     -3.11958109      2.58850520      3.91536070
  H     -1.86844267     -1.26184948      1.89513042
  H     -3.75780522      1.36180802      0.45877415
  O     -7.33388860     -1.30376588      0.69477837
  H     -1.19277529     -0.88081972      0.55729431
  H     -5.14604183      4.08827942      1.87758121
  O     -4.33652902      0.58820127      0.44129143
  H      2.05430024     -1.43588313     -2.12708244
  H     -3.90526864      3.78066430      2.76287129
  O     -4.21094331      4.28663856      1.99335995
  H      1.60226479     -0.86478378     -0.76042777
  H     -0.07040934      2.01388417     -1.81601382
  O      0.85399700      1.93390519     -1.54709441
  H     -6.69608076      1.80795045      2.10772273
  H      1.11281910      1.02846325     -1.75856586
          69
 Energy    -248.86454610941988     
  O      1.91837759     -2.45423233      4.70014182
  H      2.22815504     -1.67931999      4.21014259
  H     -0.96268407      0.38547688      0.84217731
  O      4.16132091      0.72622428      5.55279230
  H      1.25101751     -2.89568568      4.15635301
  H     -0.35918983      1.24465469      3.88425100
  O     -0.42142168      1.41147109      8.90364932
  H      4.79884569      1.40581368      5.76069370
  H      0.14098711      1.58133290      2.45714548
  O      0.44171952     -4.62820046      7.69328513
  H      3.45549869      0.81423001      6.21008144
  H     -2.18862533     -1.34967373      1.93671919
  O     -0.16384758     -3.44974658      3.21757168
  H      0.45307728      1.38085422      8.49797969
  H     -1.26405699     -1.80818029      0.78815871
  O     -0.92745642     -5.14740975      5.33394477
  H     -0.48744116      0.60224947      9.42389572
  H     -0.06822370      3.07893206      6.11646971
  O      2.92383438     -3.29008022      7.10952792
  H      0.07550934     -4.94190503      6.85182279
  H      0.77367173      2.69862436      4.88267027
  O      2.25754059     -1.25197334      9.01169581
  H      1.33355318     -4.31042118      7.51572992
  H      2.23993093     -0.58010398      1.64797025
  O     -0.19453156     -1.12479586     10.19146007
  H      0.00408739     -3.41160950      2.26812366
  H      1.18481365     -0.02843380      0.66975995
  O     -2.37066235     -1.79464685      3.77259529
  H     -0.90424910     -2.85280333      3.39689448
  H     -0.28764156     -1.55364951      6.91054268
  O      0.26267369     -2.95367970      0.50709028
  H     -0.60567767     -4.72785508      4.52564905
  H      0.74079514     -1.54794116      5.73010162
  O     -0.35495704      1.13891323      0.73138090
  H     -1.74334581     -4.68090880      5.54909700
  H     -2.50456939     -2.99842222      6.81455836
  O      0.39117941      1.60383145      3.38911203
  H      2.64558838     -3.02346555      6.21729836
  H     -3.89250639     -3.56880380      6.45099435
  O     -1.85862360     -1.09936435      1.06444022
  H      3.79437569     -3.67070834      7.02002177
  H      1.63421311      1.77223525      6.75003468
  O      0.83817825      3.02734043      5.78987219
  H      2.50860018     -1.96880612      8.41506415
  H      1.30995945      0.25993204      6.90754635
  O      1.81131590     -0.75139807      0.79898686
  H      2.35921636     -0.43721607      8.50595404
  H     -1.40842910      2.19942894      7.67986847
  O      0.18755914     -0.98768204      6.28911551
  H     -0.14603440     -1.32701672     11.12207005
  H     -2.43277481      3.27313352      7.24473097
  O     -3.05949124     -3.29574890      6.07390686
  H      0.70752883     -1.22392999      9.83589760
  H     -0.68388982     -3.35408516      8.01295908
  O      1.89980089      0.96530426      7.22024141
  H     -2.72659780     -2.32514792      4.49654136
  H     -1.06830973     -2.10127259      8.85935264
  O     -1.81673833      2.62865672      6.90700477
  H     -2.20872486     -0.91428558      4.14138717
  H      1.85391634      0.50802253      3.45348316
  O     -1.27511938     -2.58192897      8.05005698
  H      0.51524887     -3.45646977     -0.26201549
  H      3.25618023      0.21509812      4.06249319
  O      2.60181737     -0.10614736      3.42719683
  H      0.88960967     -2.21107842      0.58002350
  H     -1.86510980      1.28949079      5.59908311
  O     -1.62743785      0.57212631      4.99976053
  H     -0.69937407      1.66870310      0.01767333
  H     -0.99117792      0.01654286      5.48004311
          69
 Ord_Energy   -248.864532    
 O   -4.57490587       5.93252516       9.40659904    
 H   -4.28929901       5.01345444       9.46269989    
 H   -4.23869467       6.28507090       8.56873703    
 O   -8.22138882       6.93638802       6.94744873    
 H   -7.92667532       6.32800102       7.64031887    
 H   -8.39713192       6.41816235       6.15349960    
 O   -8.38238430       5.44992065       4.57884789    
 H   -9.13105392       5.22582102       4.03205347    
 H   -7.98209906       4.61033154       4.86491346    
 O   -4.66421509       4.50520706       5.61208200    
 H   -4.47512150       4.85522127       4.73144817    
 H   -5.53961706       4.10246611       5.58687305    
 O   -8.34909248       7.33922338       10.9247427    
 H   -8.99925613       7.41560268       11.6172113    
 H   -8.61520481       7.95488024       10.2177496    
 O   -2.75705528       2.99341750       6.80307150    
 H   -1.92787898       3.32971239       6.44080353    
 H   -3.46347928       3.50663900       6.37540197    
 O   -4.07611513       3.24996686       1.97139239    
 H   -4.20368433       3.31140852       1.02826595    
 H   -4.08868647       4.16063738       2.31551647    
 O   -3.24742413      0.704289436       5.30134821    
 H   -3.11074495     -0.107689627       5.78299570    
 H   -3.08658552       1.43250453       5.92290449    
 O   -4.07546282       5.68412781       3.14486098    
 H   -4.81747818       6.29654360       3.26531649    
 H   -3.29247642       6.06187439       3.57254529    
 O   -7.12985659       3.21022677       5.45720673    
 H   -7.03630495       2.96241689       6.38945293    
 H   -6.67280960       2.56122160       4.90075254    
 O   -6.22684669       7.21964788       3.79415870    
 H   -6.98780823       6.66133499       3.99413538    
 H   -6.11643600       7.80845642       4.55116415    
 O   -8.82744026       8.96362019       8.79834270    
 H   -8.78860283       8.33045769       8.06762886    
 H   -8.04525757       9.52105045       8.70236969    
 O   -2.00937986       6.49623585       4.75908232    
 H   -1.49111736       5.71287632       4.97836494    
 H   -2.48841953       6.74270916       5.56111526    
 O   -6.21415043       10.1616545       8.61848927    
 H   -5.87998676       11.0151138       8.88068962    
 H   -5.94336462       9.53021240       9.30890846    
 O   -5.54764986       1.64684784       3.85969424    
 H   -4.82937908       1.21989882       4.34157133    
 H   -5.12257671       2.16137314       3.16214848    
 O   -5.66062975       8.28841877       10.5219564    
 H   -6.52012110       7.97109270       10.8253508    
 H   -5.16798973       7.50221014       10.2521286    
 O   -3.89404464       6.81999588       6.88967085    
 H   -4.21084452       6.00180340       6.47700405    
 H   -4.55644512       7.49547911       6.68742418    
 O   -7.31677866       5.44517088       9.11304665    
 H   -6.37047195       5.63644743       9.18935966    
 H   -7.75267076       5.94984341       9.81089020    
 O   -3.95732713       3.15610099       9.26135349    
 H   -3.54656935       2.59376311       9.91366768    
 H   -3.44118190       3.06329513       8.44360352    
 O   -6.65368557       2.90216255       8.14095592    
 H   -5.77332878       2.84929872       8.52713394    
 H   -7.04239321       3.70499778       8.51673412    
 O  -0.655021071       3.98957014       5.25438023    
 H   -1.00906074       3.43830419       4.53284216    
 H   0.295578152       3.94840956       5.19095659    
 O   -1.82022738       2.34172916       3.43447876    
 H   -2.51513100       2.65600801       2.84236550    
 H   -2.22624326       1.64031410       3.95838046    
 O   -6.02115440       8.51937866       6.33746529    
 H   -6.01687050       9.21268177       7.00836277    
 H   -6.78796911       7.96275663       6.54137754    
          69
 Energy    -248.86449052298966     
  O     17.36433185      8.01752805    -13.93323542
  H     17.45830169      7.47027868    -14.72137796
  H     18.93843088     10.92341042    -13.99528679
  O     16.82297594     11.42298143    -11.19476426
  H     16.62845824      8.62875191    -14.09839143
  H     13.53285380     12.20662544    -14.18093551
  O     15.26735396     12.32605469    -15.10404505
  H     17.00504057     11.17368084    -10.28094488
  H     12.24739314     11.36154946    -14.07118078
  O     12.66127892      6.10763839    -15.29220974
  H     15.90978120     11.14324565    -11.37035264
  H     14.87925323      9.82961463    -13.30103149
  O     15.40257874      8.21244345     -8.95143685
  H     15.83873146     12.75756505    -14.45320252
  H     15.30249370     10.56700272    -14.57755701
  O     15.89503730      6.46097419    -12.16642908
  H     15.82809793     12.09462758    -15.85563172
  H     11.51149412      8.58850072    -13.66868289
  O     14.30952767     10.58017454    -11.71748923
  H     13.53191404      5.75367642    -15.03444922
  H     12.00860376      7.14568995    -13.82910405
  O     16.04713853      8.63350003    -17.43063565
  H     12.17561489      5.38579033    -15.68131440
  H     19.08016521      8.87723742    -10.81552925
  O     17.35470925      6.27510405     -9.78337417
  H     15.98482117      7.46265217     -9.12693263
  H     18.46975854      9.12456636     -9.42370347
  O     17.17577794     11.22100581    -16.88820351
  H     14.68827517      8.14805931     -9.59771853
  H     15.83110653      5.60531426    -15.18697605
  O     17.17160697      6.46761679    -16.25486134
  H     16.39724421      6.26942277    -11.36470999
  H     15.36744701      5.56214566    -13.70877581
  O     18.71363491     11.57073255    -14.67503034
  H     16.46104519      7.01677410    -12.72147612
  H     17.14760900     14.20113230    -12.77863583
  O     12.82555576     11.95432455    -13.57436866
  H     13.65455888     11.07163595    -12.23523526
  H     16.98757050     12.71248821    -12.39447402
  O     15.22472008      9.68515696    -14.19087601
  H     13.95731680      9.71826434    -11.45712312
  H     18.37211591      9.11292534    -12.95902567
  O     11.77032604      7.80741726    -13.16754095
  H     15.12005949      8.67323738    -17.16195519
  H     18.10788546     10.34291557    -12.04196627
  O     18.94337287      8.46894474     -9.95087087
  H     16.42267619      9.50575053    -17.25959801
  H     16.45248523      9.59239080     -8.73328880
  O     15.12470070      5.29751288    -14.60650267
  H     17.99271162      7.00727245     -9.86092579
  H     17.10534046     10.60287521     -7.76110326
  O     17.05489287     13.32601213    -13.14627249
  H     17.79132532      5.57780991     -9.30205008
  H     14.11099312      8.91936589    -15.39180533
  O     18.80821202      9.80890774    -12.44334629
  H     17.78724190     11.27100175    -16.13151661
  H     13.24385067      7.73743908    -15.92365039
  O     17.13710733     10.28229707     -8.65824051
  H     17.62245068     11.63209320    -17.62464150
  H     12.94378585      7.85490952    -11.81054615
  O     13.53459899      8.63854331    -16.12038140
  H     16.78303632      7.21427722    -16.74530868
  H     14.41434325      7.40635096    -11.57973738
  O     13.70165260      7.94982016    -11.21528864
  H     17.78178076      6.03553919    -16.84616363
  H     12.09431844      9.58202979    -15.54959629
  O     11.37674342     10.00083799    -15.04659648
  H     18.28206577     12.29150029    -14.19976076
  H     10.64603586     10.11162707    -15.65008415
          69
 Energy    -248.86417357871210     
  O     12.19016924      6.90974297    -15.48345748
  H     13.07853058      6.63730883    -15.75655260
  H     18.71243984     12.42501145    -13.75212907
  O     17.10226414      8.01737224    -12.24459085
  H     12.08790525      7.81794978    -15.78779479
  H     15.04099735      8.96683836    -17.93617626
  O     14.38284161     11.64766986    -11.91004337
  H     17.17354137      8.95823706    -12.03536878
  H     15.32811598     10.17668916    -17.03564069
  O     16.68675295     10.47216251    -15.76709072
  H     16.44883970      7.65176369    -11.63274850
  H     15.97100364      8.23623913    -13.64586504
  O     16.27176671      4.53879148    -14.47269372
  H     13.90497162     11.13262258    -12.57632007
  H     15.20020742      7.75518001    -14.92130822
  O     13.32852232     10.16805969     -9.75543361
  H     14.64047305     12.47798593    -12.33253168
  H     11.94379783      6.24166065    -13.91791178
  O     15.00393447      7.17686812    -10.61720127
  H     17.07143994     11.10863940    -15.15618449
  H     11.10676912      5.30917123    -13.00966645
  O     13.15930496      9.95190970    -13.72721671
  H     16.22800679      9.80780379    -15.22857102
  H     18.19870626      9.83785290     -8.45699702
  O     18.10987909      8.19923730    -16.71790929
  H     16.46707161      3.60584137    -14.48849263
  H     16.68153798      9.69269549     -8.65735339
  O     15.11604552      8.81286702     -8.27029689
  H     15.68390543      4.68898941    -13.71009761
  H     13.64298095      5.24544870    -12.65395395
  O     18.25020991      6.63316109    -14.41607033
  H     13.66583295     10.82476307    -10.37926525
  H     14.79421358      5.65081702    -11.71456057
  O     17.78604786     12.19821749    -13.77380231
  H     12.88649231      9.50054203    -10.29720237
  H     15.17210602     14.19469867    -14.17830152
  O     14.63274780      9.75427171    -17.55779097
  H     15.11592372      7.58082229     -9.74986933
  H     16.29233699     13.32701520    -13.58917328
  O     15.35744214      8.50894355    -14.33931377
  H     14.19728812      7.56242781    -10.99100777
  H     17.22600568     10.63846416    -10.67523198
  O     11.87890824      5.86805204    -13.01984310
  H     12.67732018      9.99657170    -14.55986755
  H     16.06525155     11.00287947    -11.65584560
  O     17.46492072     10.17123836     -8.96808823
  H     13.95603322      9.42916245    -13.91890481
  H     16.89168293      7.65356075    -17.79092803
  O     14.56423547      5.05509511    -12.43825254
  H     18.23801758      7.65318960    -15.92788246
  H     16.41302144      7.09658782    -19.15526539
  O     15.44988745     13.75512948    -13.37741422
  H     17.79587313      9.05959871    -16.41328341
  H     12.70061991      8.82142911    -12.38105708
  O     16.99659974     10.74168561    -11.60957301
  H     14.73878723      8.60785202     -7.41904644
  H     12.23515177      7.39274146    -12.01967573
  O     16.10427026      7.38551666    -18.30165507
  H     14.45853561      9.35633170     -8.74415253
  H     13.05144936      9.70066971    -16.80950556
  O     12.59701987      8.20399682    -11.64262219
  H     17.67435480      5.86001867    -14.44166242
  H     11.55577641     10.06902743    -16.92828754
  O     12.19272977      9.65570654    -16.35186380
  H     18.02587204      7.09098988    -13.59534880
  H     15.27061329      6.58864242    -16.87887061
  O     14.83816795      6.33986189    -16.05166742
  H     17.60800293     11.66709980    -12.97784257
  H     15.35744952      5.64375441    -15.62917353
          69
 Ord_Energy   -248.863663    
 O   -2.62902808      -4.09173632       5.22397906E-02
 H   -2.54407620      -4.54826784      0.885672331    
 H   -2.83015990      -3.16458821      0.263988584    
 O   -5.31846762      -1.49981594      -1.64429057    
 H   -5.34579992      -2.46614385      -1.66798687    
 H   -4.85565138      -1.24546528      -2.45923233    
 O   0.122579373       3.40189123      -4.31785250    
 H    8.89618397E-02   2.89307237      -5.13663721    
 H   0.832925498       3.01028967      -3.79469824    
 O   -2.88316345      -3.56216455      -4.10813189    
 H   -2.44389439      -3.49116611      -4.96524620    
 H   -2.18663979      -3.51375628      -3.43640423    
 O   -3.92164588      -1.02329218      -3.91470814    
 H   -3.60773182      -1.91783845      -4.10745859    
 H   -4.21494913     -0.592681527      -4.72596598    
 O   -1.66270649      0.422798395      -3.24779320    
 H   -1.88261282       1.35476398      -3.12579012    
 H   -2.46801901      -4.76476513E-02  -3.49852681    
 O   -1.44982636      -2.92807388      -6.43247461    
 H   -1.39998555      -3.34834361      -7.28713703    
 H   -1.65144873      -1.98950374      -6.59462738    
 O  -0.906577587      -3.40559173      -2.12081933    
 H   -1.37184918      -3.85918975      -1.40825582    
 H  -0.739135146      -2.51584840      -1.77633715    
 O   -1.58252692       3.20180511     -0.164973095    
 H   -1.35708463       3.92443919      0.414890677    
 H  -0.795055747       2.63085365     -0.222905323    
 O   -4.70476246       2.30622292      -3.79276943    
 H   -5.10547733       1.95917559      -2.98759055    
 H   -3.87740183       2.72716022      -3.51891923    
 O    2.03933787       1.80206454      -2.86345243    
 H    1.69699562       1.04416740      -3.36766171    
 H    2.99128938       1.74920976      -2.89912581    
 O   0.781409025     -0.125911370      -4.34148026    
 H   0.866386712      -1.08762848      -4.39079380    
 H  -0.103670180       6.52348772E-02  -3.99111056    
 O   -2.01480961     -0.300284028      -6.86280441    
 H   -1.33113301      0.376147121      -6.79372692    
 H   -2.84669828      0.126364872      -6.62504530    
 O   0.646701813      -2.84691358      -4.46851683    
 H   0.241567373      -3.19078159      -3.66244602    
 H   -7.92540982E-03  -2.95624971      -5.17014647    
 O   0.208340153       1.46967971      -6.48770332    
 H   0.897339106       1.50690269      -7.14738941    
 H   0.514585435      0.857405722      -5.79607582    
 O   -3.27639818      -1.40540063      0.286810815    
 H   -3.32519865     -0.483186901      0.581046760    
 H   -3.97745085      -1.49142551     -0.374328792    
 O   -4.71743917      -4.17916489      -1.94773257    
 H   -4.06341219      -4.32400751      -1.25305116    
 H   -4.21430683      -4.12760162      -2.77035475    
 O   -2.21369696       3.13619256      -2.90208530    
 H   -1.41926157       3.37214398      -3.40447092    
 H   -2.02532959       3.26730442      -1.96439183    
 O   -4.52295732      0.737489402      -5.98730087    
 H   -5.26491785      0.911251903      -6.56003428    
 H   -4.59436703       1.36069238      -5.24067068    
 O   -3.59012485       1.29144299      0.555327296    
 H   -4.31231260       1.40990174      -7.35313818E-02
 H   -2.93086243       1.96250653      0.343596697    
 O   0.522028923       1.53549063     -0.457265317    
 H    1.09486294       1.65545249      -1.22390425    
 H   0.178428367      0.633336902     -0.511084616    
 O   -5.77509117       1.20064938      -1.34119451    
 H   -5.73040628      0.231505871      -1.39502859    
 H   -6.65266562       1.41290724      -1.03026021    
 O  -0.829823673     -0.869175255     -0.985942841    
 H   -1.12053990     -0.369235724      -1.76469827    
 H   -1.62690473      -1.03638494     -0.466027230    
          69
 Energy    -248.86348024740309     
  O     17.49764092      9.51955650    -11.36337792
  H     17.85279464     10.16590145    -10.73439392
  H     18.19200610      3.44339620    -13.48268078
  O     14.27017887      4.88933488     -7.60732504
  H     18.21502127      8.90212488    -11.55755468
  H     14.93840753      5.71731203    -10.73075942
  O     12.23960884      6.82764991     -8.16169364
  H     14.73705641      5.05985963     -8.44258944
  H     15.67944665      6.55658149     -9.68751095
  O     15.23930566      8.89610121    -12.78832624
  H     14.26374471      3.94365869     -7.48324837
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  H     16.97011607     11.72574952     -6.43977135
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  H     16.03922076      9.18664269    -12.32304601
  H     17.32786442      7.52061928    -14.76813390
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  H     15.11971537      8.69974433     -9.60343583
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  H     21.56561317      8.86760284     -8.87314613
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  O     15.48685715      5.63859868     -9.93965011
  H     18.26582883      4.95175484    -11.36332181
  H     18.13838873     10.95465251     -8.53184823
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  H     13.13284157      6.72480691    -11.71367352
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  H     14.07758350     10.54385717     -8.82597232
  H     14.43536991      7.29206165    -12.32028326
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  H     13.88697720     10.09078448     -7.36264789
  H     18.59293953      7.11599960     -7.67401714
  O     15.00112593      6.97283415     -5.78316292
  H     14.15346567      9.56714824    -11.33612916
  H     18.95530297      6.14722595     -8.84082136
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  H     12.96473840      9.00195444    -10.53396515
  H     16.72938383      8.16041093     -7.86898719
  O     19.32903794      6.71500981     -8.15712692
  H     12.58564807      9.00165299     -5.48521913
  H     17.27269562      9.10557515     -6.80033030
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  O     15.61997678      5.23011533    -14.00763903
  H     17.12379495      4.55972052    -13.40876058
  H     15.82575601      6.02652144    -14.51340033
          69
 Energy    -248.86309595834780     
  O      1.36493622     -0.32855679      5.05911213
  H      0.62041154     -0.92645827      5.24767531
  H     -1.60275270      4.98166260      0.73363861
  O      1.48039045     -0.85397160     -2.75902284
  H      1.99492648     -0.44108718      5.76712681
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  O     -0.79420132     -1.95800150      5.30158356
  H      0.71880076     -0.37668370     -2.40368162
  H     -2.71429963      0.94032789      5.26135639
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  H      0.67003310      1.98367470      1.47171895
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  H      0.17564936      2.51344559      2.86722466
  O      2.92772991     -2.57999500      0.22053820
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  H     -2.01846567      1.44156988     -0.97755201
  O     -3.68185922      2.88202353      2.76938381
  H      0.15564206      0.48016587     -0.49083226
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  O     -3.66692810     -3.44270203      2.65872737
  H     -0.86367348     -0.60774587     -0.89610776
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  H     -2.48618343      0.29655542      1.83937312
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  H      1.77904737     -3.23049012     -0.93156519
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  H      0.72718951     -1.94694967      2.44297837
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  O     -0.02486518      2.48467502      1.91869990
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  O     -2.80637433      1.95348768     -0.74864348
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  H     -2.95432112      2.85497222      4.37318312
  O     -1.65946534      0.18505702      2.32869626
  H     -4.12977262     -4.19900624      3.00865264
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  O     -1.18300099     -2.36809676     -0.43931206
  H      0.57541539      1.43257025      4.84325125
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  H     -0.62377366      2.42755033      4.94972920
  H     -1.92049849     -2.92203368      2.50205628
  O     -2.51889415      2.78399994      5.24186605
  H      4.31050479      0.20241448     -1.63910842
  H     -1.26449782     -1.51250420      2.37903566
  O      1.61852757      0.68970625      0.67376990
  H      2.88096234     -0.36446772     -1.82790256
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  H     -4.18280982     -0.69315190      4.10888722
  H     -3.97147541     -2.69266126      0.87416385
  O     -3.94185880     -2.08737030      0.12431092
  H     -4.77310082     -0.48659323      2.69898052
  H     -4.19318746     -0.41121078      0.69424331
  O     -4.14450452      0.47828208      1.07906400
  H     -1.18717421      3.58157971      1.25126275
  H     -3.79567354      1.05096021      0.37616604
          69
 Energy    -248.86286499724491     
  O     -3.47387963      1.60878243      3.80436747
  H     -4.37433716      1.43834211      4.11763197
  H     -2.43126690      2.35267383     -0.60593475
  O      0.97666242      3.38367963      0.57587825
  H     -2.95554949      0.79432982      3.80137656
  H     -7.30753492      4.58624048     -1.08091814
  O     -1.81069308     -0.53809104      3.32691210
  H      0.82498787      3.45873744      1.53666061
  H     -6.69423571      3.17230017     -1.00489775
  O     -4.96122997     -1.75451854     -1.32416047
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  H      0.20273381      0.14153213      0.81461323
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  H     -1.72827070     -0.49943405      2.36226949
  H      1.02243265      1.45791004      0.80029674
  O     -4.65700079      1.54211702      1.27854468
  H     -0.96807908     -0.22018920      3.67380972
  H     -4.46430414      5.66232213      1.69238511
  O     -6.42848846      3.49178240      2.13981972
  H     -5.59733202     -1.36179651     -0.70966727
  H     -4.76839600      6.54246487      2.93237544
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  H     -2.01301519      3.83131930      1.12963075
  O     -4.38964466      0.56973375     -2.87857280
  H     -3.73299843     -2.49860835     -0.39123858
  H     -0.81415712      3.76616112      0.16132996
  O     -6.53718442     -0.32522092      0.48648261
  H     -2.82587406     -3.71734430     -0.08734068
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  O     -6.65956509     -1.30058702      3.11585947
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  O     -2.92705012      1.54516453     -0.79402163
  H     -5.27977909      2.25513970      1.47306882
  H      0.41660617      2.53811665      3.58034204
  O     -6.65470886      4.06520210     -0.61988447
  H     -6.69120612      3.73602965      1.24200365
  H     -0.58024231      3.67833469      3.24635127
  O      1.01324395      0.55569905      1.14163720
  H     -5.88082831      4.21930009      2.46430975
  H      0.90256403      0.55765529      2.88837138
  O     -4.63040020      5.64147960      2.65307256
  H     -2.75520366      3.11870354      3.29876918
  H      1.47603329      0.30939183      4.30501145
  O     -1.77600386      3.83701169      0.18978061
  H     -3.09059466      4.59596044      2.97193854
  H     -6.45026988      0.48229920      3.81754100
  O     -4.17290150      5.39299690     -0.00303265
  H     -3.98315928      0.72430044     -3.72705523
  H     -6.47920660      2.01087149      3.55971899
  O      0.35353955      3.42740612      3.21261793
  H     -3.79497620      0.94705708     -2.20699064
  H     -3.31765050     -1.67622159      3.15279107
  O      0.70469829      0.62431181      3.84086669
  H     -5.83487504      0.29178565      0.74503201
  H     -3.79601731     -2.45397967      1.91960355
  O     -6.18068497      1.33566828      4.18018130
  H     -6.80562821     -0.74641032      1.31056782
  H     -1.95669761     -1.34054089      0.34833309
  O     -4.08708088     -2.12199078      2.77744659
  H     -7.12861442     -1.96072310      3.61932456
  H     -1.98102263      0.17967788      0.01739217
  O     -1.52073740     -0.49787255      0.52926864
  H     -5.74145877     -1.61585961      3.02994521
  H     -6.02652746      1.23812372     -2.15784239
  O     -6.75392037      1.55160701     -1.60695310
  H     -3.61540485      1.51038534     -0.11002139
  H     -6.88957759      0.87250298     -0.93305679
          69
 Energy    -248.86260415770965     
  O     16.61579521      8.84302546    -10.09210845
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  H     14.00138508      6.90232552    -16.66190148
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  H     13.86635812     12.32480791    -13.82966327
  O     12.66203372     12.08071630    -15.28150513
  H     15.84523198      8.13548887    -14.27602322
  H     17.49626195     10.92659032    -14.66256268
  O     15.74814241      6.63763490    -11.60630601
  H     16.43043640      8.03200896    -17.25835226
  H     16.27499824     10.27380678    -13.97835495
  O     19.78725252      9.13925401    -11.57711615
  H     15.80865694      9.43926032    -17.22454778
  H     18.73282763      6.62357521     -9.93465230
  O     17.70937855     11.03797635    -11.36466898
  H     12.08646659     11.43829418    -14.82766589
  H     19.43003153      7.11381717     -8.64391094
  O     11.27161382     10.23015690    -13.87220354
  H     12.09153472     12.74727775    -15.65488178
  H     17.95707150      9.73159808    -16.50463517
  O     16.84523874      6.58091361    -14.19650209
  H     16.03800298      7.42533746    -11.12413152
  H     19.25932953     10.56744920    -16.52948529
  O     11.45192225      7.43640697    -14.51946012
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  H     18.53597444      5.21906503    -11.91003831
  O     13.31999472      7.64705416    -12.44914822
  H     19.21667485      9.90944015    -11.45033346
  H     17.23987419      5.64211231    -11.20359140
  O     13.16842508      7.38471436    -16.60517600
  H     19.63673174      8.57445892    -10.81147239
  H     14.52804726      9.60404303    -15.63149192
  O     14.45238561     12.21050656    -13.07179433
  H     17.50503326     11.05988274    -12.31031232
  H     13.69274628     10.77260562    -16.20133154
  O     16.83058387     11.06918081    -13.97984981
  H     17.13212371     11.69608059    -10.95359503
  H     16.12620054      5.47341061    -17.13730592
  O     18.92479672      7.41046957     -9.39610229
  H     11.24540956      9.30273133    -14.13622958
  H     16.20181932      6.27061624    -15.81598511
  O     18.62452604     10.16499701    -15.94297465
  H     11.68620560     10.25209650    -12.99963444
  H     19.38639581      8.42703029    -13.19591203
  O     18.15570726      5.36510635    -11.04477416
  H     17.69243915      7.05599372    -14.14101570
  H     19.05281410      8.78333234    -14.66996792
  O     14.18654007      9.98609535    -16.45598397
  H     16.48098595      6.51561427    -13.30477066
  H     13.54231424     10.91191389    -12.13027996
  O     15.82095287      6.27034148    -16.71058443
  H     12.04212229      7.36990476    -15.29150291
  H     13.35713065     10.27527925    -10.73161157
  O     19.07130862      8.05926870    -14.03403836
  H     10.70497571      6.87021874    -14.69389152
  H     15.13219509     11.95309213     -9.93109430
  O     13.01623787     10.26760910    -11.63445305
  H     13.13937450      8.52147771    -12.07361747
  H     15.13719370     12.66434190    -11.29799825
  O     15.60994497     12.60444034    -10.45752920
  H     12.63250930      7.46304648    -13.10194148
  H     15.17370517      9.69462061     -9.44258135
  O     14.41234000     10.25184745     -9.20937184
  H     13.40088570      8.31625192    -16.72419734
  H     14.23691476     10.10645589     -8.28317481
          69
 Energy    -248.86250297744607     
  O     12.80745204      9.77125109    -10.31174851
  H     12.36818296     10.45618992    -10.83323442
  H     10.83126790     10.09984393    -15.10011047
  O     15.37486618     10.81120369    -12.94222745
  H     13.50005307     10.20122625     -9.79912968
  H     15.18805507     14.22635948    -14.69513155
  O     16.96488966     14.11922312    -14.48440487
  H     16.32512172     10.91870351    -12.80828437
  H     14.26101809     13.24696807    -15.44319523
  O     15.49744221      7.12240244    -12.55046979
  H     14.93546294     11.62457469    -12.66557671
  H     16.17743209     11.99150083    -16.64308746
  O     11.67188194     11.44123266    -12.28247503
  H     17.18679668     13.40482172    -15.09329606
  H     17.51828186     12.31001945    -17.33550610
  O     11.53875176     14.19376968    -15.48279255
  H     17.38754823     13.91370485    -13.64225753
  H     15.68191043     12.43148851     -9.79803074
  O     14.37944577     11.83352567    -16.65392217
  H     15.93027716      7.65867457    -11.87426098
  H     15.14377576     13.29251514    -10.95471344
  O     16.36309863      9.22943159    -10.88962273
  H     14.55373550      7.17164446    -12.35396822
  H     17.64830496      9.13260306    -15.00029527
  O     13.90247666     13.08061497    -12.25742063
  H     11.81341463     10.69510488    -12.88256399
  H     17.82718573     10.59296619    -15.49091452
  O     14.47907096      9.55691984    -15.15043436
  H     10.96760430     11.97370874    -12.67285203
  H     18.69238214     14.12708093    -11.52655171
  O     15.15461917     10.76509588     -8.96289504
  H     11.57389353     13.63757717    -16.27043721
  H     17.33082820     13.42240787    -11.32019180
  O     10.35188839     10.75227984    -15.62789883
  H     12.45846294     14.32422627    -15.21484337
  H     12.16431254      8.53212267    -13.29482427
  O     14.25660129     14.00182357    -14.83932232
  H     13.51447928     11.93754333    -17.06873669
  H     12.84777014      9.28815011    -14.45670565
  O     17.13676136     12.04030141    -16.50267728
  H     14.36606477     10.98844597    -16.17846722
  H     16.14808846      7.38146139    -14.15158879
  O     15.90181159     13.18082690    -10.36186820
  H     17.20265191      9.61319953    -11.18562450
  H     16.71382333      6.77964560    -15.45863928
  O     18.18615428      9.92590832    -14.89263322
  H     15.71668493      9.60384538    -11.50911167
  H     11.27702691     12.09918520    -18.34407073
  O     18.09336921     13.49932508    -11.92223593
  H     13.07778903     12.57753132    -12.22799340
  H     11.22573561     11.58563847    -16.88541313
  O     12.01696570      9.20954860    -13.96535504
  H     13.96868566     13.48381813    -13.13411041
  H     12.23470480      6.85782179    -11.38098843
  O     16.45968298      7.60167574    -15.04814029
  H     14.79939377     10.01319457    -14.35291691
  H     12.80062943      8.28758223    -11.21784223
  O     11.72860119     12.14418459    -17.50563846
  H     15.08533614      8.82236029    -15.29825763
  H     18.32688783     11.67001180    -12.20002956
  O     12.76232076      7.52120174    -11.81865508
  H     15.65988022     10.15596034     -9.52763571
  H     18.34268796     10.46003740    -13.20829369
  O     18.18031934     10.72067381    -12.28811445
  H     15.35179146     10.52895672     -8.05948354
  H      9.07136341     13.44775887    -13.62545871
  O      9.84166041     12.91407449    -13.79936555
  H     10.02612557     11.41296608    -15.00426641
  H     10.43415821     13.44813366    -14.35918619
          69
 Energy    -248.86195783553282     
  O     13.62543472     11.79389688    -10.18411316
  H     12.79840201     11.95591897     -9.71438595
  H     15.43952426     12.36880133    -17.92182511
  O     10.56885545     12.14257531    -14.62522464
  H     13.47110414     11.03039211    -10.76099944
  H     13.81192054     13.17522580    -11.32730436
  O     13.26244119      9.60614004    -11.86620329
  H     10.92817261     12.91777329    -14.16861328
  H     14.27624640     13.31449405    -12.80426008
  O     11.03080262     12.17913949     -9.22309125
  H      9.89271979     11.76882234    -14.04690165
  H     12.45370658     16.42957562    -16.15510951
  O     10.59987149      9.90610494    -10.94128489
  H     13.04169244      9.88917897    -12.76714226
  H     13.50596218     15.33813242    -15.85116444
  O     12.72905604     10.45374642    -14.40800780
  H     14.17231175      9.28872336    -11.90318655
  H     13.98146842     11.77350175    -14.43052004
  O     16.67512028     14.32653598    -11.55744241
  H     10.62826472     12.72436780     -9.92296844
  H     14.59245336     13.12090371    -14.97564590
  O      8.87859842     11.15236981    -12.63322556
  H     10.61361983     12.42998612     -8.40359512
  H     16.99354604     12.15221754    -16.23391585
  O     15.12395132     14.67841417    -15.98610514
  H     10.73160452     10.55772450    -10.24146231
  H     16.32945757     11.99877267    -14.84827215
  O     13.97244946     11.52793332    -17.88968815
  H     11.48259964      9.63772309    -11.22705884
  H     12.02165666     13.93747145    -16.68905918
  O     11.62802418     14.41384487    -13.35326812
  H     12.96553829      9.92515622    -15.18018670
  H     11.25796243     12.66785889    -16.29485634
  O     16.25664122     12.89549744    -17.83353832
  H     11.92311269     10.95680621    -14.58473644
  H     16.59223921      8.49960023    -11.65579059
  O     14.00313504     13.82170830    -12.02131296
  H     16.84945738     14.98550190    -10.88927335
  H     16.24852137     10.00367090    -11.70105212
  O     12.56396668     15.56649060    -15.76410255
  H     15.71079417     14.29460568    -11.67293088
  H     16.12806740      9.17714950    -14.00413634
  O     14.64664838     12.45655906    -14.27712696
  H      9.47131471     10.62886639    -12.06437797
  H     16.67809437     10.05133349    -15.14873732
  O     17.16327322     11.86389593    -15.32692399
  H      8.02451248     10.73005942    -12.60505189
  H     13.86548243      8.17806822    -16.85918152
  O     11.84084803     13.03423947    -16.97203722
  H     15.86679733     14.80450016    -15.37556247
  H     14.75819376      9.07286443    -15.96293633
  O     16.05115753      9.14194504    -12.10889757
  H     15.47590470     14.18853766    -16.74037673
  H      9.41207741     12.79587999    -11.77204651
  O     16.16521644      9.25342586    -14.96527952
  H     13.18313158     12.02305462    -17.62458229
  H     10.41143801     13.95411195    -11.97449674
  O     13.93020720      9.04901539    -16.47766636
  H     13.91710525     10.65632240    -17.48332102
  H     17.20145574     14.52168661    -13.37463455
  O      9.88774642     13.49474844    -11.30582439
  H     11.87500013     14.91743384    -14.13882944
  H     17.54059947     13.67034759    -14.61204762
  O     17.32225801     14.56791000    -14.33081495
  H     12.44028522     14.28523107    -12.84294096
  H     15.49876719     11.64469791    -10.42763298
  O     16.36995744     11.52452402    -10.83010442
  H     16.64059952     12.96219443    -18.70281876
  H     16.65462973     12.40327725    -11.10209764
          69
 Energy    -248.86184956441969     
  O     14.43318764     11.57872253    -11.79827151
  H     13.68551725     11.48190493    -11.19901478
  H     17.04559617      8.36632409    -14.92202770
  O     18.46399208      8.50455169     -4.86637783
  H     15.13746246     11.04896264    -11.39279538
  H     19.03589304      7.68260365    -10.80736019
  O     17.54924109     14.06047901    -10.16025015
  H     18.69180285      8.47054718     -5.80650412
  H     19.92870112      8.93778289    -10.62772700
  O     15.89937698      7.61486969     -4.85825180
  H     18.40306944      9.44238332     -4.64740644
  H     17.08254392     13.38958644    -11.87770937
  O     12.56304900     10.60662863     -9.81300320
  H     17.32359905     14.92294334     -9.82045603
  H     15.88643956     12.61906856    -12.47200796
  O     18.15088333     10.52542266    -12.85508801
  H     17.08578290     13.41021085     -9.60521403
  H     16.91490145     11.06803743     -4.70429500
  O     19.87194905     12.44749068     -9.59816514
  H     16.84258324      7.84764473     -4.78137708
  H     17.87875961     11.85989194     -3.78985937
  O     17.80325360      6.69695945    -11.91524739
  H     15.73733883      6.90343839     -4.24542272
  H     13.90366153      7.88707388    -10.80999818
  O     15.83450973      8.12188554     -7.61872542
  H     11.61871042     10.72939630     -9.76307573
  H     13.35234473      8.58027882    -12.06322642
  O     16.55019539     11.98350240     -8.66888360
  H     12.70874382      9.75695439    -10.26921039
  H     16.17591087      9.18061497    -10.55017298
  O     14.41337116     10.54483299     -7.67420437
  H     17.74955564     11.40875303    -12.87981211
  H     17.13475517     10.14206737    -11.33630601
  O     16.96583528      8.37654239    -13.97095973
  H     19.02709629     10.59027925    -12.45572812
  H     18.58663707     11.49971037     -6.26862868
  O     19.56083135      8.17467097    -10.16645208
  H     19.19854034     13.09268589     -9.84272116
  H     18.81268331     10.45351842     -7.39010738
  O     16.80012223     12.88145106    -12.64820979
  H     19.64057897     12.13999687     -8.71121055
  H     18.98056546      8.46784941     -8.51668361
  O     17.84846309     11.31039890     -4.56832246
  H     18.03080781      5.83206979    -12.24917515
  H     17.64407742      8.51663029     -7.71359033
  O     13.11936667      8.33156478    -11.15733087
  H     17.48891985      7.21552654    -12.67312455
  H     15.74958399      7.48785918     -9.30990570
  O     16.47426582     10.09423664    -10.63471545
  H     15.78137323      7.80588252     -6.70854622
  H     16.37862731      7.01826149    -10.67884530
  O     18.81920635     11.40492874     -7.20015158
  H     15.31377820      8.93680039     -7.66290421
  H     20.32750704     11.25362212    -10.75267284
  O     18.59000681      8.70713329     -7.66409461
  H     16.56823712     11.30125421     -9.35982934
  H     21.44487188     10.68401985    -11.65749334
  O     15.61957501      7.44681148    -10.26874285
  H     17.31182380     11.82176790     -8.09446426
  H     14.86437120     10.54292835     -5.83769971
  O     20.52864314     10.57148813    -11.41887620
  H     13.71216872     10.56983104     -8.33664666
  H     15.35985197      9.47206904     -4.84574029
  O     15.30555932     10.42553724     -4.98653979
  H     15.09628486     11.16377929     -7.97168944
  H     14.26076393     10.17905030    -13.12260281
  O     14.18517530      9.31386813    -13.54691317
  H     17.42202598      9.17876618    -13.65919050
  H     15.08412365      8.99089704    -13.66606617
          69
 Energy    -248.86159273806726     
  O     19.10563216      8.75958372    -15.81311035
  H     19.68622309      8.23454909    -15.24212147
  H     15.53285574      8.53798957    -14.55429842
  O     21.25487787      7.64945491    -11.35886344
  H     18.99563800      9.59986200    -15.35489345
  H     18.69019219      7.14407836    -13.17013229
  O     14.94146223      9.97404131    -11.14119278
  H     20.70197826      8.45281797    -11.37319553
  H     17.40787763      6.29875940    -12.90326193
  O     12.49320942      8.86036174    -14.36824766
  H     22.07799689      7.89847525    -10.94679360
  H     15.02460291      5.38627762    -13.04422568
  O     17.30327873      6.87192894    -16.54499190
  H     14.08743511     10.31406315    -11.43569203
  H     14.57148262      6.63845465    -13.85506422
  O     11.59658757      6.42603693    -13.15984543
  H     14.79058109      9.04368535    -10.91842839
  H     16.64733893     10.06423304    -10.21849879
  O     14.43187124      7.26368893    -10.64955518
  H     12.06073171      8.04935843    -14.07174222
  H     17.44962652      8.86381494     -9.70220326
  O     17.12207193      6.95786935    -10.06068650
  H     13.32337318      8.58457015    -14.77647322
  H     20.64938466      4.47856454    -13.19764041
  O     17.97355392      4.36612413    -10.30838115
  H     17.30840914      6.80644024    -17.49721534
  H     21.42089683      3.80394668    -14.35990217
  O     20.41608625      7.18006668    -13.98290360
  H     17.93061256      7.58047103    -16.31419461
  H     12.42985670      9.96632486    -13.00558638
  O     20.49364745      4.87601524    -11.51382247
  H     12.53080906      6.15402576    -13.15172523
  H     11.81003634     11.22063749    -12.34623275
  O     15.07102415      7.87879118    -15.09434375
  H     11.09168754      5.66599537    -13.43684285
  H     19.48744708     10.28112524    -12.38920103
  O     17.81991617      7.15901565    -12.75546468
  H     14.44044608      6.82618285    -11.51198826
  H     18.98105424      9.92756505    -10.96607094
  O     14.30153557      6.01802713    -13.16337010
  H     13.50318945      7.47201436    -10.47245882
  H     18.48564259     11.88920235    -14.16156432
  O     17.52100363      9.80527993     -9.90130459
  H     17.45754885      7.14271564    -10.95172061
  H     17.82535978     10.53325728    -13.81821138
  O     20.71275437      4.41249878    -14.16854830
  H     16.15626977      7.01364907    -10.11623003
  H     17.09013908      4.37592764    -13.60591047
  O     12.38269966     10.47726840    -12.17785131
  H     17.67182515      5.26388171    -10.08663281
  H     17.07529245      4.31452673    -12.02572660
  O     19.73833799      9.85165123    -11.56544407
  H     17.78983006      3.81834867     -9.54935252
  H     17.84572314      5.27040804    -15.60514291
  O     18.67170097     10.96208803    -14.03573392
  H     20.84877644      7.40075834    -13.14783206
  H     18.96397299      4.44006177    -14.90214264
  O     16.58232331      4.58865484    -12.80607137
  H     20.60920520      6.25161811    -14.16469321
  H     11.86693835      8.90183278    -11.12698035
  O     18.01681827      4.47672736    -15.08346663
  H     19.67468785      4.67706559    -11.04447094
  H     11.55457209      7.44829829    -11.51548602
  O     11.78440483      8.01107814    -10.76473080
  H     20.70943927      5.79808176    -11.32541957
  H     15.94703325      9.73587546    -12.60460625
  O     16.48808766      9.48583036    -13.36518650
  H     15.74001573      7.49021365    -15.67006635
  H     16.98597489      8.68897240    -13.12232513
          69
 Energy    -248.86156322181114     
  O     -3.84491272      4.67442756      2.01423265
  H     -3.90807303      4.98352463      1.10172382
  H      1.23633088      2.81525424      3.81645849
  O     -2.99895260     -2.56034812      1.39352810
  H     -3.04837490      5.07932892      2.37563673
  H     -3.11874455      3.21696195     -2.79616506
  O     -1.22394408      3.07804590     -3.14805107
  H     -2.12191769     -2.85561093      1.12077834
  H     -4.02230380      2.38082578     -1.88242399
  O     -3.57296362      0.84228701     -0.88295182
  H     -3.47960959     -2.38275012      0.57542814
  H     -0.93632827     -2.35252025     -1.13216571
  O      1.64605619     -0.12454705      4.41670274
  H     -1.07372702      2.20268843     -2.74995889
  H     -2.31787956     -2.05214824     -1.74485130
  O      0.76383496      5.44610213      1.07644891
  H     -0.79693157      3.06933148     -4.00058503
  H     -0.84054334      2.45174896      4.30593948
  O     -0.99005174      2.66734995      1.07415676
  H     -2.63207889      0.84336919     -1.10668277
  H     -0.71014969      2.99013739      2.84625641
  O     -1.05116739      0.82243715      5.03154108
  H     -3.66656282      1.20163307      0.01140044
  H     -3.87757193      2.80963531      1.89259897
  O     -4.12730215     -1.82979352     -1.12685765
  H      2.28608209     -0.43652856      5.05002298
  H     -2.60222682      2.12484602      1.42172268
  O     -2.34365456     -0.29611046      2.80702552
  H      1.90002882      0.78742402      4.18371528
  H     -1.35527341      6.35598879      3.81584009
  O      0.30381936     -0.69999456      2.05554623
  H      0.20285029      5.34582779      0.29442703
  H     -1.06417434      4.87564607      3.48555915
  O      2.11334892      2.43016128      3.67886406
  H      0.15364187      5.64697463      1.79561595
  H     -0.12557989      0.83455806     -1.23052842
  O     -3.97591754      3.22362952     -2.35248349
  H     -0.29597769      2.09085339      0.73556665
  H     -0.99575341     -0.22546644     -1.97173656
  O     -1.36972460     -1.95383047     -1.89764559
  H     -1.04719784      3.42329014      0.47581298
  H     -4.35782516      6.12915510     -1.11325219
  O     -0.57544620      3.21863981      3.77801765
  H     -1.60065009      0.34879837      4.39092430
  H     -3.99794637      4.63868164     -1.31815483
  O     -3.53149898      1.94376548      1.64113615
  H     -0.18209087      0.40769513      4.99234456
  H      0.95855849      0.45473170      0.80284627
  O     -1.31198101      5.73231773      3.09472336
  H     -4.96743692     -1.99751406     -1.54553647
  H      1.69159537      1.79109922      0.40040902
  O     -0.87729785      0.72548389     -1.82821416
  H     -4.03746240     -0.86412834     -1.05435072
  H      0.33311256     -3.65996937      0.73421017
  O     -3.83763544      5.41554108     -0.75327727
  H     -2.68424575     -1.10823732      2.40472094
  H      0.02253580     -2.18597933      1.07707423
  O      1.08394195      1.10484635      0.09558403
  H     -2.88520251      0.43762649      2.48901883
  H      1.91583524      4.10936458      1.06302369
  O     -0.26657811     -2.94320500      0.54222562
  H      0.82561385     -0.60369992      2.86281222
  H      3.36191604      3.71081833      0.69930574
  O      2.53516449      3.35919076      1.02022909
  H     -0.61567464     -0.49907465      2.28782430
  H     -1.06610350      4.23139968     -1.67594121
  O     -1.11356437      4.72717266     -0.84906348
  H      2.39525454      2.73938730      2.81093849
  H     -2.00918048      5.08504425     -0.78891454
          69
 Energy    -248.86148475496270     
  O     -4.89288742     -0.74915553      6.06138080
  H     -5.24672431     -0.33436372      6.84331168
  H      0.71770151     -7.44721067      1.90951882
  O     -0.12371699      0.26847801      0.62237335
  H     -4.82378786     -1.70269785      6.25358372
  H      1.28097032     -0.08906701      3.58936374
  O     -4.62856415     -1.91611776      1.58102328
  H     -0.96049278      0.15048733      1.09379476
  H      2.38809367      0.84726347      3.05007221
  O      0.43402432     -0.72121962      4.95594472
  H      0.55342192      0.33101241      1.30603210
  H     -1.38506379     -2.02237122      1.87182419
  O     -4.59113646     -3.43042015      6.32168179
  H     -5.30192253     -1.61598598      2.20905630
  H     -1.13545465     -3.09454084      0.77158974
  O     -2.35891789     -0.95027746      4.86618662
  H     -4.42897792     -2.82330420      1.84540878
  H     -1.45387767     -4.26489728      2.56917143
  O      0.78985214     -3.41122451      5.91280222
  H      0.63801270     -1.59505287      5.30929533
  H     -1.08426610     -5.75118469      2.71291380
  O     -6.18020762     -4.34127082      4.14280048
  H     -0.52818428     -0.64123833      4.99148181
  H      0.84847015     -2.60833068      1.89145471
  O      0.14658641     -1.29682237     -1.57195604
  H     -3.67419214     -3.63373004      6.09271288
  H      1.95472094     -1.58388827      2.24011816
  O      1.80890996     -4.64562126      3.72469033
  H     -5.14090809     -3.83765580      5.63979675
  H     -3.47642581     -4.97891367      2.42946454
  O      0.70427883     -5.53627128     -0.68784668
  H     -2.25260242     -1.90501836      4.98550356
  H     -4.34816917     -4.66434742      1.17469579
  O      0.47759630     -6.52354077      1.93668015
  H     -3.19604586     -0.71672904      5.28501414
  H      1.53869400     -2.51951589     -1.09185260
  O      1.76280035      0.17841698      2.78521404
  H      1.16865000     -3.89457499      5.15712345
  H      2.15510395     -2.96513577      0.24426897
  O     -0.93365452     -2.85635751      1.68600342
  H      1.31394761     -3.63999041      6.67595528
  H     -3.17709843     -0.89727147      1.83842181
  O     -1.74343693     -5.10005538      2.97341888
  H     -5.57154868     -4.54599622      3.41252002
  H     -2.34348165     -0.53700940      3.09353566
  O      1.80897289     -2.49975844      1.97525961
  H     -6.89195707     -4.97404796      4.08925529
  H     -0.91483029     -2.79300528     -1.29513294
  O     -4.36858616     -4.74795747      2.13926653
  H      0.05911746     -0.72036563     -0.79121558
  H     -0.76496743     -4.30946930     -0.97127949
  O      2.06583422     -3.21873625     -0.68593512
  H      0.13486271     -0.72416412     -2.33419217
  H     -6.43874521     -2.43338943      3.87257901
  O     -2.33565731     -0.51413914      2.12689061
  H      1.41233907     -5.33677243      3.18503379
  H     -5.91906948     -1.10962650      4.45542113
  O     -1.38727598     -3.57231139     -0.96901953
  H      1.95994358     -3.89963577      3.12542136
  H     -1.92707281     -4.27301225      4.58846115
  O     -6.35365140     -1.49028335      3.68288523
  H      1.27264403     -4.74358900     -0.69686677
  H     -1.04115235     -3.63110990      5.67914652
  O     -1.95126117     -3.69450012      5.36248739
  H      0.94987286     -6.05817757     -1.44795056
  H     -3.24341223     -3.78106271     -0.74112505
  O     -4.16458311     -3.87612027     -0.46525430
  H      0.55169196     -6.19183192      1.02847075
  H     -4.42664332     -3.01598145     -0.11393642
          69
 Energy    -248.86117770004495     
  O     12.57806638     10.60819658    -15.06666717
  H     13.20389658     11.31301425    -15.26720692
  H     16.83684965     10.94722144    -17.23272130
  O     18.28535436     10.85069647    -12.18606637
  H     12.86232741      9.83328049    -15.57227949
  H     15.15595602      8.90920280    -15.27816054
  O     18.12884258      9.98172081    -16.27947730
  H     17.46177317     11.13791232    -12.60604906
  H     16.38349535      8.09686162    -14.83745577
  O     14.06452659      5.96309862    -14.82275864
  H     18.31008631     11.23205979    -11.29872523
  H     10.95744234      9.90178410    -12.47577632
  O     15.52729177     11.40139973     -8.92926179
  H     17.35342756      9.68150794    -15.78045090
  H     12.09980716     10.10892166    -13.49976209
  O     15.08583430      8.17660506    -10.60417250
  H     18.86118117      9.94721305    -15.65407882
  H     18.38100219      9.93836481     -8.77971552
  O     15.84687096     11.30541366    -13.40608192
  H     13.58480361      5.13956757    -14.85405902
  H     17.43516116      8.88068484     -8.18208860
  O     17.42436597      7.66947274    -17.77231925
  H     13.79663603      6.40979220    -13.99887897
  H     12.74981543      8.06137130    -12.62477039
  O     15.51659610      8.71920453     -7.92793334
  H     15.45318615     10.57494828     -8.43625580
  H     13.93188440      7.42692032    -11.87125893
  O     16.83467207      6.34414520    -15.40264030
  H     14.96440005     11.29467910     -9.70868080
  H     19.40007607     10.13635043    -13.40669653
  O     18.65102146      7.05580996    -13.51633338
  H     16.01417154      8.11510504    -10.87240075
  H     20.82048707      9.81583977    -13.91990087
  O     15.96666258     11.21844381    -17.55632372
  H     14.78155472      9.06582150    -10.83890562
  H     18.08594572      8.35346736    -10.24684480
  O     15.98260936      8.97259836    -14.78247641
  H     15.88690561     10.42330721    -13.81084863
  H     17.92993156      9.12179077    -11.57713880
  O     11.89375215      9.77916196    -12.60583075
  H     15.47884321     11.88699186    -14.08164815
  H     18.49005797     12.50597681     -9.07888188
  O     18.31525683      9.00042788     -8.56129339
  H     17.25787339      7.07709268    -17.02425337
  H     17.19579015     11.69235770     -9.31485750
  O     13.30527197      7.27387441    -12.59016875
  H     17.87710524      8.43601628    -17.39842652
  H     14.96285321      8.50092911    -19.59599196
  O     19.89526431      9.65806157    -14.09235403
  H     15.29610536      8.41457591     -8.82433132
  H     15.94507532      8.27225216    -18.42052089
  O     17.79033945      8.25953166    -11.16376088
  H     15.02322927      8.17159095     -7.32291952
  H     13.31615465     10.48547222    -11.65902543
  O     18.14479120     11.74051989     -9.53074630
  H     15.97854324      6.04385593    -15.07722012
  H     14.73651041     11.00443153    -12.01572129
  O     15.10189444      8.69199811    -18.67269414
  H     17.47465140      6.39386465    -14.67462705
  H     15.09438975     12.10457934    -16.34496875
  O     14.17005560     10.72977846    -11.28053586
  H     18.35307914      7.29420820    -12.62784576
  H     14.47215544     13.44541903    -15.89182958
  O     14.62447052     12.54594348    -15.61467781
  H     19.16894323      7.81056586    -13.81670285
  H     14.09513488      8.39869819    -17.16371308
  O     13.68741988      8.37856984    -16.28725532
  H     15.60880137     10.45314781    -18.02060079
  H     13.75443922      7.48204307    -15.93488180
          69
 Energy    -248.86075321061310     
  O     -1.05033669      0.27112584      0.71869808
  H     -1.91873690      0.67039228      0.86231822
  H     -1.39830082     -2.54313619      5.82165668
  O     -1.94244703      4.95719424     -1.13889162
  H     -1.15119469     -0.68756168      0.68022750
  H     -3.78779199     -0.61450201      3.86274706
  O     -2.44056565      4.19319868      1.50206960
  H     -2.15931425      5.65112156     -1.75518127
  H     -3.79717779     -1.83474499      2.89716701
  O      2.12633541     -0.79509555     -0.37975833
  H     -2.06315671      4.11276487     -1.61137563
  H     -4.82992482      4.59941053      3.73644297
  O     -3.88760663     -2.54125087      1.11269375
  H     -1.54340460      4.08639468      1.84591327
  H     -3.56139676      4.17527274      2.98221816
  O     -0.61478493     -0.73521549     -2.97407726
  H     -2.35308853      4.55393722      0.61032651
  H     -1.04171050     -0.14248192      5.05960062
  O     -4.43788581     -0.29721672     -0.53634794
  H      1.72873808     -0.00285281     -0.75978843
  H     -0.42508165      0.96951201      4.19500979
  O     -2.01552030      2.54333123     -2.31981978
  H      1.65969864     -1.54098533     -0.77595039
  H     -3.54984266      1.37203752      2.19255379
  O      0.41734876      1.33200271     -1.32826194
  H     -4.24074133     -3.42472919      1.03933707
  H     -3.13894318      2.48597734      1.20412587
  O      0.45238944     -2.78622595     -1.60668923
  H     -2.93587798     -2.60327824      0.91917763
  H     -2.73445462      1.16449750      4.35845609
  O     -1.20936517     -2.52677651      0.63041755
  H     -0.17264647      0.02629276     -2.57692883
  H     -3.88275892      2.17427498      4.06413487
  O     -1.24827697     -2.03170720      5.03102431
  H     -1.55297228     -0.51104245     -3.01535395
  H     -0.10350315      4.40254527     -0.73915730
  O     -3.61362957     -1.56391329      3.80338829
  H     -4.21614314      0.43349275      0.05768174
  H      0.66407613      3.96342160      0.51483840
  O     -4.09539809      3.99105412      3.77003001
  H     -4.35191023     -1.09935816     -0.00791202
  H      1.14681942     -2.03966473      2.75875922
  O     -1.06633131      0.80919631      4.89848157
  H     -1.16446047      2.16395549     -2.07101316
  H     -0.09015145     -2.42087679      3.62284249
  O     -3.41523536      1.56302582      1.25293564
  H     -2.56429281      1.79594601     -2.58326226
  H      1.39600225      0.60273052      2.65934813
  O     -3.62587198      1.24627459      3.98359838
  H     -0.11818091      0.95673955     -0.60889315
  H      0.01233771      0.84806122      2.01668195
  O      0.68090277      3.92161838     -0.44938563
  H      0.66261218      2.23135130     -1.06566557
  H      0.42544223      2.92638590      2.52351703
  O      0.38475741     -2.62767842      2.80716369
  H      0.04323276     -2.10823487     -2.17567122
  H      0.58505663      4.34305925      3.11887437
  O      0.63523868      1.19505097      2.67395321
  H      0.74458077     -3.49023252     -2.17886326
  H     -3.99403238     -0.02849619     -3.61728116
  O      0.23342350      3.86711291      2.37051067
  H     -0.64503196     -2.64295356      1.41251059
  H     -3.74438106     -0.06927854     -2.09155149
  O     -3.32601742      0.11359623     -2.95211828
  H     -0.67639645     -2.72097638     -0.14958117
  H      3.47612600     -0.94271655      2.48252965
  O      2.55171544     -0.79671544      2.30137170
  H     -2.11576604     -1.92514196      4.59889430
  H      2.44987754     -0.81083847      1.33227169
          69
 Energy    -248.86062493903322     
  O     17.88375628      9.08612304    -12.61227579
  H     18.28913213      8.72392465    -11.81498737
  H     14.38436303      8.84537343    -15.02591524
  O     12.10160224      6.93124264    -10.30777894
  H     16.93832543      9.15991943    -12.40907429
  H     11.60599157      7.96998356    -13.28369599
  O     18.04825715     11.62451074    -13.70024695
  H     11.83716596      6.58376815    -11.17022850
  H     11.64204950      9.26566448    -12.44970592
  O     11.58909059      6.11083234    -12.97356775
  H     11.88100060      7.87087853    -10.32177461
  H     16.98362046      4.56465942     -7.57931956
  O     17.30540019      6.91807441    -14.26759658
  H     17.15965964     11.75767971    -14.05144740
  H     17.16542562      6.00901150     -8.07390109
  O     18.67290551      8.01239293    -10.16755670
  H     18.09239451     10.69927394    -13.41498905
  H     13.87304779      6.82008421    -10.37908426
  O     18.17889906     10.73930565     -9.30465565
  H     10.97273700      5.46568707    -13.30937813
  H     14.94900042      7.66984524    -11.11702389
  O     16.44428364      7.61712372     -8.47052632
  H     12.47288749      5.83541236    -13.27596040
  H     15.26243433     12.58656651    -12.54680419
  O     14.05902093      5.44918683    -13.86228631
  H     17.63889610      7.69537356    -13.80073842
  H     16.26782778     12.86232597    -11.41219100
  O     15.28704746     12.05019210    -14.38532140
  H     17.03484464      6.29968877    -13.57579335
  H     14.75179107      9.29037378    -12.86924448
  O     15.11994560      7.32872721    -15.76162713
  H     18.90174067      7.10039668    -10.38090662
  H     14.84638822      9.81567071    -11.39735313
  O     14.05964723      9.60548948    -14.52665744
  H     17.91453514      7.94215926     -9.56988930
  H     18.75310278     13.53699977    -11.26247113
  O     11.71832099      8.92693613    -13.35007129
  H     18.23572654     11.40985079     -9.99761896
  H     18.20977660     12.39763964    -12.15700331
  O     17.56746528      5.12506931     -8.08475460
  H     18.57665310      9.93255705     -9.64950834
  H     14.64461978     10.71826449     -9.32882632
  O     14.82384988      6.90574105    -10.53450317
  H     16.18097933      8.49615803     -8.17844631
  H     14.47102720     11.65257646    -10.57469342
  O     15.32554952     12.77819586    -11.60275506
  H     15.81519289      7.34006273     -9.15632998
  H     17.19359046      5.12400300    -11.67744904
  O     15.20109129      9.17153296    -12.02300201
  H     14.82865058      5.23504087    -13.32177451
  H     15.81137166      5.79326134    -11.54426989
  O     18.17432929     12.77920602    -11.26145156
  H     14.37119721      6.04200378    -14.55655331
  H     16.71689598     10.55006038     -8.42742307
  O     14.09961247     10.88690239    -10.10697473
  H     14.82969293     11.19877906    -14.48529587
  H     15.90279792     10.78728791     -7.13098953
  O     16.37195541      5.28889446    -12.15378035
  H     14.96085063     12.61529526    -15.08165428
  H     12.49644732     10.18840955    -10.39849101
  O     15.87283616     10.35292653     -7.97941335
  H     15.96547653      7.20560681    -15.29066266
  H     10.96779035     10.29059751    -10.21318406
  O     11.65213760      9.75577342    -10.60824599
  H     15.27709018      7.10216866    -16.67422033
  H     18.37398526      5.05736673     -9.66031788
  O     18.75139526      5.16228614    -10.55120758
  H     13.16647208      9.40185787    -14.20583152
  H     19.49925440      4.57243346    -10.60460476
          69
 Energy    -248.86043025442552     
  O     -3.17187952      3.42789928      3.14042619
  H     -2.61247033      3.58097910      2.36633665
  H     -2.72551851      1.34936990      0.10757022
  O      0.76140625      4.30363921      2.07666565
  H     -4.06022079      3.67538255      2.85563303
  H     -6.27127058      3.57058043      2.26588230
  O     -1.26072109     -0.59024566      3.27743801
  H      1.00749661      3.36529347      1.98045839
  H     -5.53966425      3.71510140      0.92053429
  O     -3.92364030     -1.18607353     -1.78409532
  H      1.56477335      4.80920965      1.98890797
  H      1.19650056      1.36387011      2.92679252
  O     -1.88415946     -2.32212278     -0.39651610
  H     -0.63276156     -0.14749523      3.86156060
  H      0.88809409      0.98832062      1.46362588
  O     -4.10837181      0.74452119      1.01553150
  H     -0.96073489     -0.42005388      2.37303094
  H     -2.31041918      4.95405336      0.83158394
  O     -7.62378444      1.04712954      0.28437013
  H     -3.91821746     -0.29776964     -2.15600703
  H     -0.87268072      4.40130179      1.20310020
  O     -3.60781786      0.79179582      3.78089952
  H     -4.72223148     -1.25158682     -1.24036283
  H     -4.47638259      5.51539589      1.32062070
  O     -3.68715176      1.60248258     -2.59309817
  H     -1.60298529     -3.09551790     -0.87890950
  H     -4.11519181      6.94561036      0.89514561
  O     -5.96262636     -1.15114496      0.11122543
  H     -2.59182902     -1.90976950     -0.92313059
  H     -5.31866862      0.27396338      3.97444348
  O     -5.74405784     -2.51381286      2.55278427
  H     -4.67301444      0.00926729      0.74558159
  H     -6.19755060     -0.86627820      3.43724084
  O     -2.02683973      1.77049535     -0.42040276
  H     -4.00988271      0.70880390      1.97312329
  H     -0.15778050      3.91736119      3.73461032
  O     -5.59232693      4.08762345      1.81400881
  H     -7.03747384      1.65552436     -0.18437762
  H     -1.58320985      3.55618309      4.19225433
  O      1.33053808      1.64703055      2.01352794
  H     -7.70344928      1.41696666      1.17165431
  H      0.06415289      1.91586761      4.69714799
  O     -1.73721129      4.17411489      0.83806843
  H     -3.40710866      1.73151387      3.66680694
  H      0.97703789      0.98257648      5.52784424
  O     -3.75181586      6.06893942      0.99186629
  H     -2.78096699      0.30085334      3.68764122
  H     -7.04145963      1.44532807      3.26026990
  O     -6.24001035      0.01658871      3.82050459
  H     -3.31906537      1.90769756     -3.41847820
  H     -8.22652824      2.41647888      3.45206244
  O     -0.65438927      3.49868812      4.44895598
  H     -2.98908020      1.70079613     -1.92232250
  H     -2.44277135     -1.97941668      2.73220616
  O      0.51172906      1.05090049      4.69866496
  H     -6.65965822     -0.47919998      0.15802318
  H     -2.69733667     -2.52909411      1.32001197
  O     -7.46078886      2.25110583      2.90777927
  H     -6.02514719     -1.70351654      0.90000990
  H     -0.74904303     -0.96813021      0.25968251
  O     -3.05136223     -2.52362138      2.21767061
  H     -6.02415795     -3.37101791      2.86229338
  H     -0.86138818      0.56497845      0.20875575
  O     -0.38327946     -0.15945681      0.63928807
  H     -4.77285456     -2.54688719      2.47991588
  H     -5.00339818      1.99699960      0.09068145
  O     -5.41392468      2.61990472     -0.53216629
  H     -1.89210251      2.65736231     -0.05683503
  H     -4.98328826      2.44647408     -1.37541317
          69
 Energy    -248.86042356014786     
  O     20.56575155     11.70649037    -18.64816715
  H     21.21848161     12.27744457    -18.20579207
  H     20.25025215     15.53847446    -16.96260038
  O     17.20483027     18.38693408    -15.32970599
  H     21.04669407     11.17214143    -19.27459464
  H     14.46431196     13.22560049    -14.36386848
  O     15.51723411     14.75865115    -14.26137245
  H     17.15475178     18.17863678    -16.26959222
  H     14.70476138     11.83748844    -13.74926772
  O     16.61210899     12.50510042    -17.79946578
  H     18.10559417     18.18030272    -15.04349556
  H     22.42626134     14.83171734    -14.64248701
  O     16.16066435     10.96455375    -12.82399919
  H     15.47985031     15.64655078    -13.88420660
  H     23.19076333     13.71560613    -13.89942983
  O     14.51588021     10.97775458    -16.72876970
  H     16.25844809     14.30332784    -13.83578592
  H     18.37592730     13.17431103    -13.43364616
  O     22.24675052     13.40391358    -17.37216565
  H     17.36026060     12.09495838    -17.34242659
  H     17.11631928     12.55841908    -12.77324678
  O     22.22505293     16.59523788    -15.16137161
  H     15.83483043     11.98135087    -17.56964286
  H     15.96517367     10.08248525    -15.80779217
  O     15.80020398     17.34629993    -13.25850113
  H     16.41071597     10.51942818    -13.65403127
  H     17.49776918     10.21037167    -15.69514076
  O     19.77849469     12.96016692    -14.58414880
  H     16.06534760     10.28309472    -12.16417904
  H     16.21919321     17.80445466    -18.60721197
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  H     14.30889216     11.48053896    -15.92025277
  H     16.59371135     16.60938170    -17.70320320
  O     20.98885761     15.89491380    -17.48013836
  H     13.69649594     10.60102496    -17.03716050
  H     20.49851462     17.12760576    -14.38102225
  O     14.15875464     12.30899120    -14.39051208
  H     22.43005443     13.39811936    -16.42735285
  H     19.23352116     16.88294816    -13.47373421
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  H     21.88980629     14.28404132    -17.55948785
  H     17.36272815     16.53231287    -12.42628078
  O     17.57711007     13.39174192    -12.93351546
  H     22.88312352     17.27989934    -15.25395525
  H     18.02658407     15.14404666    -12.32913251
  O     16.71599353      9.86744712    -15.24107185
  H     21.84781812     16.44896084    -16.04798467
  H     19.40646154     11.27847530    -17.27397643
  O     16.90783501     17.46703702    -18.03834064
  H     15.24935395     18.01139258    -12.85514811
  H     19.17266901     11.76694297    -15.81967489
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  H     16.24331860     17.76897869    -14.01643221
  H     17.98551143     15.13299003    -16.28710053
  O     18.20332606     16.09026629    -12.25126071
  H     19.43760128     13.71709888    -15.09109463
  H     18.96087470     15.90790469    -15.33661357
  O     18.78361568     11.24719546    -16.53659049
  H     20.71270837     13.14068994    -14.43706444
  H     18.48521942     16.83591730    -19.05017996
  O     18.86978934     15.12988017    -15.90369998
  H     17.81186590     13.29229572    -19.09426597
  H     18.97937733     15.46780683    -19.57390136
  O     19.23058959     16.39978620    -19.47703973
  H     19.30388281     13.03682363    -19.31582388
  H     16.32060874     14.18323857    -17.27339964
  O     16.26042371     15.07246590    -16.89707366
  H     20.57147459     16.19990298    -18.29743287
  H     15.90201137     14.98711654    -16.00249672
          69
 Energy    -248.85991664344334     
  O     -0.65819491      3.36580071      1.56324318
  H     -1.49215257      3.75125948      1.27315926
  H     -4.65556915     -1.52379303      2.78687522
  O      0.03155006      0.03925819      4.80387063
  H     -0.90250317      2.56701295      2.05514515
  H      1.74209167     -0.43899137      1.93201921
  O      1.61338746     -3.49694053     -0.20212384
  H      0.08691275     -0.90867975      4.61346388
  H      2.62782148      0.20931268      3.03595125
  O     -1.85180299     -1.67529651     -1.92079039
  H     -0.64578437      0.39736095      4.21621175
  H     -0.05393607     -3.88388949     -0.47147123
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  H      2.09865805     -2.84829473     -0.72527104
  H     -1.10518446     -4.95703684     -0.84195525
  O     -3.82365633      1.12221858      1.02521756
  H      1.95486298     -3.43630529      0.69867460
  H     -2.35593161      0.97980877      2.19557939
  O     -2.18299485      2.86632286     -1.78023733
  H     -1.65789461     -2.52604747     -1.51357348
  H     -0.90149827      0.45610361      2.14064162
  O      0.49597199      2.48988380     -0.87263231
  H     -1.02198701     -1.17486559     -1.90433923
  H     -2.47266306     -2.32407669      1.86197893
  O      2.93337363     -1.44983190     -1.72921536
  H     -4.30764478      0.21401405     -2.22996720
  H     -1.51890744     -3.24651564      1.02853848
  O      0.43475050     -0.19499453     -1.56309024
  H     -2.98258542     -0.41266063     -1.74240274
  H      2.12998399      2.77370687      3.04077220
  O      0.13502311     -0.59827509      1.18573460
  H     -3.73334173      0.81411105      0.11129726
  H      1.10612712      3.51813591      2.14846873
  O     -4.08625516     -1.49321606      2.02039756
  H     -3.77319825      2.08450640      0.98055270
  H      2.73610766     -2.16997370      2.44012997
  O      2.64293889     -0.40504001      2.29283204
  H     -2.56703292      1.98392692     -1.86172460
  H      3.41180536     -3.50637237      2.82320273
  O     -1.00957641     -4.04773506     -0.57237183
  H     -1.23138221      2.74932958     -1.66730452
  H     -0.50516446     -2.76295441      3.33799377
  O     -1.51065707      1.00649174      2.65865484
  H      1.42240359      2.74858271     -0.79594019
  H      1.00366556     -2.91540926      3.56585743
  O     -1.57772580     -2.68748293      1.81280816
  H      0.08691587      2.73485962     -0.03043619
  H      2.73121412      1.60098762      5.19794238
  O      2.05188570      3.39083541      2.30373887
  H      3.36465837     -0.79719520     -1.14759968
  H      1.45903754      0.95850170      4.59580777
  O      2.61624547     -3.13500978      2.44959141
  H      3.53175253     -1.61509340     -2.45256857
  H      3.73381735      1.33863048     -0.13543586
  O      0.18977823     -2.63581370      3.99844679
  H      0.51690008      0.75549490     -1.40398404
  H      3.56907298      0.13363891      0.81500862
  O      2.28221860      1.43272270      4.37418366
  H      1.31260687     -0.56275639     -1.72453936
  H     -3.76679891      4.66862184      0.34624317
  O      3.91513036      0.39533356     -0.04999918
  H     -0.40639047     -1.37628051      1.38136728
  H     -2.90629289      3.59969758     -0.37142855
  O     -3.24859721      3.88277799      0.49651443
  H      0.19899307     -0.51115776      0.22743338
  H      2.82424672      3.24121582      0.76467411
  O      3.15032211      3.12912952     -0.14772911
  H     -4.11559200     -0.57729112      1.70809969
  H      3.68936522      3.89116601     -0.34160063
          69
 Energy    -248.85939096094600     
  O     17.18306560      8.20485242    -14.04533844
  H     17.47907150      9.09200143    -14.28187797
  H     12.77102122     11.42579157    -14.77168454
  O     12.30221789     10.85867922    -10.13238523
  H     17.73709146      7.91823964    -13.30348958
  H     16.86365255      6.65187011     -9.36628499
  O     11.11382376     10.15838485    -12.43260868
  H     11.80927374     10.57669648    -10.92665833
  H     17.56375078      5.37990299     -9.89565851
  O     15.18798620      6.27696704    -14.24388606
  H     11.65299872     11.06078604     -9.46442845
  H     13.56897164      9.50699128    -10.24257785
  O     18.64452701      7.56525407    -11.81957564
  H     11.37065372     10.80280170    -13.10188948
  H     14.43150062      9.12014528    -11.46496602
  O     19.65649021     10.17630893    -12.23445760
  H     11.25162973      9.28269198    -12.82214047
  H     19.32365945      4.11291614    -11.40949392
  O     16.87711182      8.49332867     -9.86329158
  H     15.93706759      6.89007469    -14.25537190
  H     17.92572769      4.54051583    -11.92060217
  O     11.71083761      7.68563187    -13.53622067
  H     14.69932772      6.41379826    -13.41700906
  H     15.33920346     12.40834624    -12.01632094
  O     16.27794267     10.95361893    -16.44289775
  H     18.79154934      6.62060245    -11.69125975
  H     15.75603195     11.00883663    -12.46005886
  O     13.34599901      7.44067696    -15.94003605
  H     18.02516451      7.85399945    -11.13324139
  H     16.03607412      4.75794965    -13.38424955
  O     13.80394891     10.18242960    -15.51628277
  H     19.21043833     10.57868317    -11.47909782
  H     15.78017070      4.08700965    -12.01868910
  O     12.23832011     12.05342924    -14.25585882
  H     19.52784688      9.22558530    -12.11841669
  H     15.72475090      9.00033879    -13.36098797
  O     16.82908723      5.68714062     -9.34961307
  H     17.24955503      9.38283284     -9.82009087
  H     14.45589563      9.75211052    -13.84684982
  O     14.21571752      8.86243030    -10.55294897
  H     15.92869038      8.60373889    -10.02373469
  H     17.30175585     11.46324756    -13.60415943
  O     18.68039634      4.81502989    -11.36923465
  H     12.27814469      7.18452738    -12.93527559
  H     18.65948090     10.74770123    -13.64805582
  O     16.12019452     11.86086107    -12.17694901
  H     12.11533189      7.59814405    -14.40515525
  H     13.91472300      5.71477496    -11.36537439
  O     16.42458692      4.16022604    -12.73459748
  H     16.75173799     11.16309423    -17.24403250
  H     13.81126362      7.26303259    -11.32350254
  O     14.97045256      9.52603264    -13.06334202
  H     16.92364930     11.03310497    -15.72345499
  H     17.99872360     11.85317602     -9.56020245
  O     17.89680841     10.98373467    -14.19657816
  H     14.01630180      6.96747232    -15.41941305
  H     17.23020178     11.46261893    -10.84311448
  O     13.67902647      6.48970924    -11.88950155
  H     13.11854684      6.87324602    -16.67242629
  H     13.18460268     12.25648438    -11.16978747
  O     17.85843434     11.13774323    -10.17552516
  H     14.64617898     10.45120129    -15.91421684
  H     13.13130112     12.67018988    -12.65058625
  O     13.59331895     12.84072216    -11.82027152
  H     13.61710030      9.27370494    -15.78372058
  H     14.37591538      3.71092129     -9.82085941
  O     14.72965914      4.35079010    -10.43229029
  H     11.80231582     12.62267822    -14.88533606
  H     15.43806842      4.82913695     -9.96457503
          69
 Energy    -248.85872673332938     
  O     12.45816129      9.94779352    -15.59006603
  H     12.44483751      9.15087497    -16.13438606
  H     18.91741918      7.92480566    -15.22060839
  O     15.86370487      6.01684623    -12.04418292
  H     13.27789421     10.40788574    -15.80293133
  H     16.07185653     11.18247867    -16.25910671
  O     17.59524148     10.48465045    -11.95754106
  H     16.67598742      6.52754727    -11.92419790
  H     15.22374002      9.92040377    -16.47357716
  O     17.94694811     11.38211794    -16.34900762
  H     15.16094705      6.45874949    -11.54341062
  H     14.15293152      7.15414269    -14.32246973
  O     12.75089795      6.00225326    -14.72745804
  H     16.75406296     10.48196759    -12.43806978
  H     15.44865642      7.03994368    -13.49659923
  O     14.54213975     10.46717298     -8.88817488
  H     17.43622149     10.78757624    -11.05602494
  H     11.66815988      9.87798249    -14.02665386
  O     13.81796392      7.39364742    -10.74254071
  H     18.45643392     12.02897876    -16.83021018
  H     10.39574684     10.25612351    -13.23518002
  O     15.29395889     10.21548972    -13.42840557
  H     18.44210734     11.19107357    -15.53232495
  H     17.79376771      7.88756519    -10.01147643
  O     14.95525175      7.69760464     -8.21436343
  H     13.29596666      5.25625795    -14.44005176
  H     17.51910656      9.12818890     -9.13523408
  O     18.09394492      8.50732695    -16.66285646
  H     12.23031047      6.29441897    -13.96262392
  H     12.27301143      7.03664385    -11.81292852
  O     14.49590454      4.15485083    -13.61623256
  H     14.54521258      9.56525282     -8.54491892
  H     11.38393323      7.96030644    -12.67951099
  O     19.42067290      7.72967009    -14.41041973
  H     14.05712495     10.43852691     -9.72468727
  H     19.51786281      9.67816873    -14.20169700
  O     15.17942568     10.83058847    -16.14504745
  H     14.09899515      7.39400422     -9.81854840
  H     18.79453998     10.70084205    -13.31491976
  O     15.00070036      7.58560719    -14.15376566
  H     13.71585324      8.32198027    -10.99580003
  H     17.86763383      8.68456772    -11.91022138
  O     11.23129650      9.80260426    -13.15989512
  H     15.18816577      9.26848553    -13.60746816
  H     18.56233241      7.59294684    -12.73538147
  O     17.46869911      8.16366654     -9.14656323
  H     15.25555689     10.63551889    -14.29553391
  H     17.45876592     11.71388003     -8.66880682
  O     11.59529565      7.03540388    -12.50117931
  H     14.97870705      7.22571153     -7.38662369
  H     16.20707439     10.90919834     -9.09815451
  O     19.31092998     10.61703558    -14.12904743
  H     15.87747222      7.78496937     -8.51633186
  H     15.34897576      7.87794875    -15.88647970
  O     18.04791201      7.73328431    -11.93068194
  H     17.18825068      8.24654471    -16.87438733
  H     14.46086597      7.83375133    -17.14068589
  O     17.16193169     11.02231274     -9.25363564
  H     18.09522570      9.47175452    -16.68605454
  H     14.09328283     10.25593585    -12.09882349
  O     15.33354649      8.10058147    -16.83130832
  H     15.04704222      4.69146345    -13.02525548
  H     12.57594258     10.07787766    -11.90566165
  O     13.41471181     10.09025401    -11.42849828
  H     14.58198079      3.25542154    -13.31028943
  H     11.96998686      7.08188593    -17.65532259
  O     12.57922078      7.45283308    -17.02268408
  H     20.18335411      7.22580727    -14.68386658
  H     12.57859566      6.85914905    -16.25081422
          69
 Energy    -248.85857767968619     
  O     14.54216874     11.24189892    -16.72415189
  H     13.99190647     11.86523281    -17.19039385
  H     18.64727221      9.04023035    -17.52374558
  O     15.63678710      4.75052829    -12.71011134
  H     14.03957178     10.95202103    -15.94122687
  H     17.77732572      7.99093285    -14.77666699
  O     17.27806624     12.59585822    -10.72308291
  H     16.57299402      4.71882827    -12.47294308
  H     16.43173613      8.30556890    -15.50766286
  O     19.58760935      8.32378270    -14.76913445
  H     15.33909134      5.63816671    -12.47744645
  H     13.11443024      9.21652449    -14.74124624
  O     17.39535381      9.36951425     -9.10375897
  H     16.51773421     12.23299797    -10.25347068
  H     13.60694162     10.26901133    -13.71897792
  O     15.20717590      7.63110868    -12.58014609
  H     17.18409614     12.29177152    -11.63774568
  H     16.75359022      7.49712839    -11.53582669
  O     17.05685714     11.18247828    -13.12311493
  H     19.59102984      8.83542762    -13.94780949
  H     17.98818256      6.57316094    -11.40997614
  O     19.40748980      5.54486837    -14.65390841
  H     19.57268493      8.93145048    -15.51892359
  H     14.02807549      6.44604132    -15.28135109
  O     17.86890227      5.00756036    -17.04291880
  H     18.17212483      9.91589079     -9.27625157
  H     13.96593908      7.38343418    -14.08755900
  O     15.72147222      5.35159830    -15.38968094
  H     17.48563993      8.59697311     -9.67630825
  H     20.14481223     11.65215273     -9.60161212
  O     18.44658678      4.96275198    -12.18694192
  H     15.81927343      7.73740863    -13.32985915
  H     18.74007194     11.75647893    -10.24452577
  O     19.11965641      9.79443168    -17.12732965
  H     14.92262762      8.52060409    -12.32655543
  H     19.43031270     10.05223864    -11.55916119
  O     16.82287571      7.86304743    -14.74423964
  H     17.77322721     10.57809776    -12.89288064
  H     18.66630305      8.74697398    -11.89823867
  O     13.23342696     10.16237008    -14.60464602
  H     17.12876647     11.36665802    -14.07076669
  H     14.73640945     11.08188777     -8.68678697
  O     17.63727090      7.43499823    -11.15110363
  H     19.62715263      6.48477473    -14.72133679
  H     15.95478719     10.35652620     -9.30489905
  O     13.61957482      7.26841391    -14.98236657
  H     18.98645472      5.30703233    -15.48726591
  H     17.80696108      6.78332316    -17.78314395
  O     19.46462727     11.14084843    -10.03077423
  H     17.04244302      4.99170780    -16.53061705
  H     16.76619457      7.92667560    -17.84388834
  O     19.15060239      9.48808625    -12.29074741
  H     17.87381123      4.21899167    -17.58015213
  H     14.67393740     10.54050027    -11.23602555
  O     15.22192628     10.96793832     -9.49934932
  H     16.16161083      6.19727590    -15.21203878
  H     15.47310675     10.61257061    -12.56035052
  O     17.68226414      7.69921039    -18.05677204
  H     15.63973535      4.92673172    -14.52328821
  H     17.83141409     10.96661888    -16.33812646
  O     14.64878714     10.28457505    -12.16562090
  H     18.99799046      4.28535868    -11.80407405
  H     16.36160014     11.47265167    -16.22743616
  O     17.23102304     11.50572534    -15.81057284
  H     18.80141571      5.14312156    -13.07568180
  H     14.58460952      8.13073352    -16.42077807
  O     15.24890601      8.55681321    -16.97650947
  H     19.72612249     10.11805320    -17.78840418
  H     15.00594759      9.49015677    -17.03160280
          69
 Energy    -248.85814353053982     
  O      1.16386339      4.69022766      4.05233264
  H      2.09751733      4.55370279      3.85283719
  H     -1.16432876      3.72794861      0.70198330
  O     -0.18736124     -0.96467885     -3.92826977
  H      0.77419472      3.80582857      4.09452836
  H      1.91529997      6.07991759      1.34050469
  O      0.20077542      2.09490180      3.73692832
  H     -0.37511902     -1.59168530     -4.62117861
  H      2.50760131      5.27552095      0.17597488
  O      0.84652427      3.73245286     -3.71761349
  H      0.40494294     -1.41019837     -3.29401059
  H      1.42752085     -1.42845345      2.03153874
  O      2.65109224      1.67977243      2.40962120
  H     -0.03716299      1.24190679      4.11768863
  H      2.24427338     -0.25517933      2.64683202
  O     -1.72021428      0.35544312     -1.98719668
  H     -0.42194063      2.24219235      3.00985323
  H     -2.23157444     -0.85586970     -0.71249483
  O     -2.65121656     -0.10175150      2.46109321
  H      1.16604285      2.82441424     -3.86738030
  H     -3.12698694     -2.05435251     -0.34093146
  O      0.24973750      0.89191908     -0.09819783
  H      0.93190163      4.19681861     -4.54568753
  H     -0.81308241      3.33378353     -2.84031904
  O      2.85312419      1.84698350     -0.34449870
  H      3.17369612      2.45492445      2.65437727
  H     -1.47041298      3.62245716     -1.48102116
  O     -0.47429759     -0.59394826      4.31079933
  H      1.78949172      1.80473375      2.83235383
  H      2.38970279      0.80690735     -3.48850151
  O      3.79503725      4.18574326      2.97370295
  H     -1.28580925     -0.05547551     -2.74569950
  H      1.01144236      0.48534677     -4.09788954
  O     -0.83816836      4.46563509      0.16434986
  H     -1.80125764      1.30762458     -2.15444331
  H      0.44795936      5.73162683      2.84470586
  O      2.74591924      5.72929860      0.99510159
  H     -1.96499699     -0.38195450      3.08005530
  H     -0.21139180      7.08011660      2.47296788
  O      1.77735526     -1.07154527      2.85957601
  H     -2.57433612     -0.66429376      1.68097285
  H      2.29758111     -1.38765181     -2.09624176
  O     -2.38395906     -1.53787324     -0.03758799
  H     -0.30536295      0.79570289     -0.88367665
  H      1.21568338     -2.03646985     -1.19742257
  O     -1.54577653      3.07180903     -2.26972996
  H      1.10518609      1.25698313     -0.34804886
  H      3.38942214      0.67205342     -1.51342431
  O      1.67154694      1.18364050     -4.01079044
  H      2.53470706      2.72681581     -0.59338265
  H      4.51163075     -0.07612439     -2.27078875
  O      0.15635999      6.28458032      2.09742949
  H      2.83800850      1.77908722      0.62114616
  H      0.78619275      4.25502874     -0.63289076
  O      1.52829291     -1.97096973     -2.10884557
  H     -0.48246168     -1.10517079      5.11569273
  H      1.46204644      4.14231139     -2.02289234
  O      3.56460102      0.02238573     -2.21636761
  H      0.33942552     -0.83540902      3.83396799
  H      0.44199310     -0.80336610      0.34955311
  O      1.64547197      4.19946951     -1.07734951
  H      4.63593673      4.53316305      3.25834606
  H     -0.51306859     -1.98910983      0.40999891
  O      0.42122868     -1.76520850      0.48587782
  H      3.49647253      4.74447023      2.23360506
  H     -0.84349666      1.74664910      0.99160672
  O     -1.48229337      2.20291297      1.56218754
  H     -0.60368421      5.16804682      0.78337849
  H     -2.07557874      1.51410695      1.89334596
          69
 Energy    -248.85740910452830     
  O     -5.75402378      1.22530287      6.45520074
  H     -4.98245659      1.80081203      6.39707609
  H     -4.41360671     -0.81570424      1.90615695
  O     -7.99113009     -2.26327909      4.61164784
  H     -6.30577561      1.46583146      5.69331201
  H    -10.61941214      2.26277785      4.43526475
  O     -8.00942211      4.14320475      6.03874868
  H     -8.01417131     -3.21503392      4.57023742
  H    -10.45763797      1.00144609      5.37237928
  O    -13.35861151      3.10396478      5.65153902
  H     -7.09115348     -2.01124171      4.88687266
  H    -11.74645469      5.84918412      5.85139939
  O     -7.32216133      2.06686907      4.37736363
  H     -7.83520110      3.37691970      5.46974068
  H    -12.18880320      5.74738273      4.37779933
  O     -7.94841131      0.91928982      8.11247709
  H     -8.65385090      3.85308021      6.69316576
  H    -13.27665414      3.91540427      4.10009180
  O     -9.95567938      2.90769758      7.59846114
  H    -12.60975073      2.50095195      5.52659371
  H    -13.85029181      4.46179141      2.77039320
  O    -11.95244641      4.83585247      7.49542845
  H    -13.08463527      3.69868544      6.35928885
  H     -8.01892281     -0.91153529      3.23578740
  O     -6.69015413      6.17248013      2.93692161
  H     -7.65409095      1.28421003      3.92193997
  H     -6.80786002     -0.23706850      2.56462487
  O     -4.04504580      2.05729890      3.09130279
  H     -6.89277446      2.60512605      3.69754662
  H     -9.97305813      6.04474576      4.35618734
  O    -10.40679600      3.42534606      2.95785078
  H     -7.12835392      1.06330762      7.61222656
  H     -8.74454710      5.21515731      4.82112790
  O     -4.93908245     -0.43215262      2.60302383
  H     -7.69970380      0.46408052      8.91376996
  H     -6.39232248      4.43114198      2.33722026
  O    -10.92302183      1.84233878      5.24886144
  H     -9.33020657      2.25930365      7.94185596
  H     -7.01196688      3.11859222      1.73513075
  O    -11.62949496      6.25159524      4.98213636
  H    -10.31888415      2.52863976      6.78019235
  H     -9.01705126     -1.06281857      5.56969444
  O    -13.05265396      4.40650684      3.28922252
  H    -11.23661702      4.19911956      7.65160775
  H     -8.93828479     -0.03784598      6.73010847
  O     -7.76150220     -0.14890611      2.70525667
  H    -12.17756401      5.20417348      8.34660102
  H     -5.19792586     -1.08184013      4.35050138
  O     -9.11664518      5.69764241      4.06776613
  H     -6.63097657      7.00607889      2.47787522
  H     -5.50484261     -0.52282247      5.75407564
  O     -6.25572044      3.48400013      2.22085109
  H     -7.60070830      6.10113770      3.27328931
  H     -2.94700961      3.43068030      6.12076988
  O     -9.47824976     -0.32487134      5.98535241
  H     -4.71978132      2.63063579      2.69834851
  H     -4.34349512      3.88282400      5.63457001
  O     -5.52121818     -1.33119834      5.22688376
  H     -3.87430764      2.39895740      3.97585550
  H     -9.22795103      2.59337158      1.75755718
  O     -3.76947241      3.10624261      5.76383898
  H    -11.32752544      3.71268611      2.90866345
  H     -8.36455764      1.32363858      1.59719705
  O     -8.49029771      2.21846711      1.25686839
  H     -9.90636655      4.19163654      3.26882625
  H     -6.33472310      4.88710903      5.78234458
  O     -5.49618169      5.15949700      5.38359395
  H     -4.57318246      0.45482470      2.77203196
  H     -5.73518301      5.59408479      4.55770132
          69
 Ord_Energy   -248.857376    
 O    3.61590695       2.48516178       1.48658490    
 H    3.07820845       3.24882245       1.76067960    
 H    4.43145132       2.53235126       1.98002648    
 O   0.134105086       4.71655321       4.22847652    
 H  -0.706172109       5.01595688       3.86394930    
 H    1.19227096E-02   3.78234982       4.44376850    
 O  -0.628367305       4.28386021      -3.19314599    
 H  -0.722917438       3.32120562      -3.16235971    
 H  -0.287683666       4.48909616      -4.07607126    
 O   -2.45205402       5.17804861       2.89039779    
 H   -2.45891356       4.21130991       2.78089809    
 H   -3.23094940       5.40431261       3.39281130    
 O    3.22226167       2.56648874      -1.31799233    
 H    2.79552317       3.42283249      -1.47506988    
 H    3.46883512       2.52842975     -0.385833055    
 O   0.989386559       1.54883683      -5.38502026    
 H    1.82969403       1.72152054      -4.92317724    
 H    1.18277979      0.923377454      -6.07844067    
 O   -2.14353585       2.48142195       2.55659795    
 H   -2.48017454       1.72979176       2.05179954    
 H   -1.56152844       2.15494442       3.25715518    
 O    1.83105075       4.44613266       2.07640553    
 H    1.16447806       4.00129986       1.53140724    
 H    1.38714075       4.63951254       2.91370368    
 O   -1.42381275       5.88095617      0.359008908    
 H   -2.05490303       5.63653851     -0.330532610    
 H   -1.85449433       5.76728296       1.21674311    
 O   -2.90491581      0.465528190      0.813249826    
 H   -3.60380197     -0.181112707      0.761507690    
 H   -2.94640994      0.986935019      -8.72537959E-03
 O   0.650397241       4.41575003      -5.60878944    
 H   0.723456264       3.45626950      -5.69340467    
 H    1.53445733       4.72660160      -5.37524176    
 O   -2.88959932       4.86064243      -1.80066037    
 H   -3.55019999       5.24824905      -2.36990762    
 H   -2.08824277       4.74656773      -2.34261227    
 O    3.17376733       5.09115601      -4.42633677    
 H    3.78534722       5.82077646      -4.47935915    
 H    2.76775122       5.12990999      -3.54309535    
 O    3.28651714       2.25301242      -4.11805439    
 H    3.40336752       3.18690753      -4.33417702    
 H    3.39073014       2.19884419      -3.15915537    
 O  -0.270995855       3.33662939      0.610800564    
 H  -0.616424620       4.21261787      0.395460516    
 H  -0.868341625       2.96007800       1.26913428    
 O  -0.119920619     -0.355922312      0.943353415    
 H   0.227887362       9.37059596E-02  0.159804836    
 H   -1.07002735     -0.199666366      0.925616086    
 O   -2.96918368       1.95743454      -1.44879270    
 H   -2.35478067       1.70755875      -2.15261555    
 H   -3.03825283       2.91737390      -1.48162186    
 O    1.86181390       4.91925049      -2.01730990    
 H    1.74300194       5.54353142      -1.28695667    
 H   0.983330309       4.68665934      -2.34518576    
 O  -0.255028486       1.88851571       4.50987005    
 H  -0.238091409       1.37193632       5.31051159    
 H   0.438965321       1.52655768       3.92738724    
 O    1.52423120      0.872309148       2.79272437    
 H   0.998660445      0.362623364       2.15675783    
 H    2.24254894       1.28547752       2.30580497    
 O  -0.849701226       1.51133621      -3.24305010    
 H  -0.313503772       1.40853083      -4.03865719    
 H  -0.262780070       1.35052288      -2.48582959    
 O    1.33334386       6.47679901      0.155099124    
 H    1.64502621       5.94647837      0.899950981    
 H   0.368700624       6.47408724      0.220127955    
 O   0.735287547       1.38476837      -1.04527259    
 H   0.347664118       2.07315254     -0.482229888    
 H    1.65330410       1.64235926      -1.19230127    
          69
 Energy    -248.85706145761466     
  O     14.98836757     11.57532829    -11.25697043
  H     15.79718064     11.18183892    -11.62740953
  H     16.44702015      8.67281893    -15.99927473
  O     14.81208377      7.92115280    -15.43897679
  H     15.26369006     12.18607666    -10.57816308
  H     16.44099293      3.50258296    -13.88735106
  O     14.13010692      5.15813006    -11.74930717
  H     14.56345492      7.00272580    -15.26036249
  H     16.75493385      2.98487873    -15.31375527
  O     18.26992289      4.78660348    -11.13523042
  H     14.12043177      8.47895327    -15.05517131
  H     16.94539359      7.14929358    -13.23443704
  O     16.74595651     11.73194498    -15.05241592
  H     13.19138106      5.13735689    -11.52575671
  H     15.75963047      7.89820587    -13.90021898
  O     10.93135705      7.92857381    -11.36085709
  H     14.54366163      5.85736586    -11.22663898
  H     11.34789999      5.34677580    -13.32272357
  O     12.96203598      9.40738314    -14.00232324
  H     18.35550022      5.14478723    -12.03074633
  H     12.34040422      5.46618297    -14.49830555
  O     15.40811166      7.36619072    -10.59621689
  H     18.23713992      5.55998741    -10.56307067
  H     13.70843371     11.09617637    -14.14999752
  O     19.46782464      8.01150158    -14.81585513
  H     17.00227225     12.56345278    -15.44206439
  H     14.37553764     11.96716891    -13.07471650
  O     10.47733232      8.16949466    -14.19322500
  H     15.81574726     11.82570010    -14.77905557
  H     16.92693233      3.67972960    -11.70845980
  O     18.12064861      5.85742191    -13.71755932
  H     10.65430101      8.12769850    -12.26370142
  H     15.40934342      3.79861640    -11.95019409
  O     17.30101903      9.12354852    -16.03898826
  H     11.73359825      8.44437105    -11.20316821
  H     14.95383462      4.77648030    -14.79824065
  O     16.55857799      3.77470014    -14.81808307
  H     12.06888108      9.07368863    -14.15503916
  H     14.22016988      5.35734832    -13.57116042
  O     16.28908057      7.84561796    -13.09559238
  H     13.15190551      9.27545200    -13.06292819
  H     10.75001452      4.79251000    -10.81851249
  O     11.42428918      5.63253596    -14.24179461
  H     15.66603923      7.53619730    -11.51891689
  H     11.17478096      6.20342332    -11.29596587
  O     14.24272505     11.89307098    -14.02726062
  H     16.24190504      7.34028788    -10.11430875
  H     19.47070652      8.44497878    -12.83247885
  O     16.18829908      3.28164924    -12.19301624
  H     20.22620862      8.15033344    -15.37675306
  H     18.68072584      9.49801397    -12.05442024
  O     14.22942489      5.35863913    -14.54040246
  H     18.70820728      8.41917738    -15.26917358
  H     13.86288190     10.07943474    -11.12610958
  O     11.35795004      5.25156550    -11.39140921
  H     10.78668730      7.25049254    -14.29182518
  H     14.06190761      8.56407005    -10.88674799
  O     19.28645685      8.75347711    -11.93863296
  H      9.68796777      8.25471976    -14.72027845
  H     18.68380081      7.53053077     -9.05077869
  O     13.43586227      9.21964335    -11.22492279
  H     17.69090720      5.20246219    -14.28126029
  H     18.59153448      7.82639625    -10.56072967
  O     18.15146735      7.36652837     -9.82542852
  H     18.67282115      6.44140063    -14.25272354
  H     17.13717287     10.91264376    -13.40819682
  O     17.12303242     10.43632163    -12.56840209
  H     17.12225781     10.04496682    -15.81456735
  H     16.84559097      9.52758893    -12.76708956
          69
 Energy    -248.85690263001339     
  O     18.02604865      8.88985577    -10.91125532
  H     17.68124784      8.12470462    -10.43280975
  H     18.54544947     10.17903077     -9.81888349
  O     14.11858361     10.16740128    -10.81764995
  H     17.30922748      9.30687515    -11.40632733
  H     20.12334251      9.63437870    -13.13833529
  O     19.26011439      3.20651425    -11.44503814
  H     14.70426907     10.31531686    -10.05214894
  H     19.23399807      8.80576160    -12.17216627
  O     21.45954765      6.85828236    -11.78165114
  H     13.32867370     10.67756605    -10.66196399
  H     20.13192758      4.17679423    -12.90826126
  O     15.85856058     10.57360416     -8.81075607
  H     19.15116514      2.26081787    -11.40360993
  H     20.94629930      5.47348934    -13.00786921
  O     22.78695937      8.46455684     -9.87988816
  H     18.42419237      3.57365227    -11.78796808
  H     17.37689394      5.25727879    -12.86124244
  O     16.72284046      8.41733715     -7.34471274
  H     22.05033736      7.32582229    -11.17939290
  H     16.33742232      4.71647867    -11.84210212
  O     20.76774032      7.48801407     -8.12892809
  H     20.95231737      7.54168339    -12.24376018
  H     15.46104649     10.38323854    -12.04923760
  O     19.36743065      9.47932692     -6.95071687
  H     16.72341312     10.97222530     -8.93535614
  H     16.17584850      9.66453433    -13.23410092
  O     17.28057112      6.67197253     -9.47033744
  H     16.02099822      9.80490124     -8.24166366
  H     15.64073262      7.96557262    -15.08828793
  O     18.29631661     12.19372697    -11.82831197
  H     23.69843892      8.67076439     -9.69167391
  H     16.76190189      7.50300378    -14.13656007
  O     18.78186834     10.94390658     -9.26713318
  H     22.33908017      9.30899560    -10.06850783
  H     21.28072763     11.02366999    -11.32098661
  O     19.80634953      8.74368328    -12.95439397
  H     16.89047566      7.72593727     -7.99999468
  H     20.60292478     10.89914365     -9.94426591
  O     20.39941479      4.86760645    -13.52581029
  H     17.59301787      8.73416257     -7.07423651
  H     14.80572292      7.69431977    -12.71378909
  O     17.07334639      4.45998729    -12.41076387
  H     21.51958045      7.79013429     -8.65375246
  H     14.17210428      8.40555999    -11.49063588
  O     16.28268689     10.34545955    -12.55825214
  H     20.40558823      6.72759558     -8.59909971
  H     18.78282785      7.41878342    -13.64968984
  O     15.96061588      8.04984584    -14.19298258
  H     19.75047910      9.64634733     -6.09375754
  H     18.95841080      5.92724791    -13.94396098
  O     21.43468699     10.75053280    -10.40853729
  H     19.86986082      8.74268935     -7.34383417
  H     20.91519045     12.09173826    -13.67316379
  O     14.30619527      7.54317035    -11.90235497
  H     18.10824852      6.19687659     -9.62946753
  H     19.76435136     11.79809455    -12.67922010
  O     18.28734189      6.62385277    -13.89407555
  H     16.55086322      6.13613920     -9.80243390
  H     14.73618840      6.11744505    -11.05434283
  O     20.59415088     11.44630863    -13.04982653
  H     17.55779805     11.65171788    -12.13906113
  H     14.35566884      4.88449699    -10.19560118
  O     15.09217906      5.32888051    -10.60577672
  H     18.41397941     11.98678783    -10.89328843
  H     19.64685766      4.65607325    -10.32298260
  O     19.76999364      5.54283607     -9.96273866
  H     18.98550431     10.58490677     -8.39309338
  H     20.32015679      6.01357149    -10.60519145
          69
 Energy    -248.85610501849669     
  O     -2.03981714      4.89702101      4.19605300
  H     -2.35541157      5.65997418      4.67245663
  H     -0.97876920     -3.29760137      2.87358153
  O     -2.90912035      3.37231866      1.98517585
  H     -1.85610971      4.20734385      4.86049479
  H     -0.18565856      2.53925295      2.86322799
  O     -1.27193186      2.97742589      5.95632376
  H     -2.77974880      4.01187500      2.69435222
  H     -0.94927181      1.27688543      3.37382892
  O      1.82393930     -3.48102146      1.13589831
  H     -2.21186352      2.71047075      2.11315833
  H     -3.17196156     -0.81541056      1.43277191
  O      0.24095599      0.53171587      0.38032438
  H     -1.34794229      2.04891645      5.69697776
  H     -4.30310550      0.15802584      1.83951379
  O     -1.93656734     -1.15402657      0.11539651
  H     -0.32741669      3.12635335      6.09047481
  H     -1.94738668     -0.24865951      4.87528397
  O     -4.96477697      1.76686593      1.12925974
  H      2.05974820     -2.55238331      1.29233635
  H     -0.40342720     -0.12926567      4.76799279
  O     -3.31654401      1.02661391     -1.12800529
  H      2.40433665     -3.99408863      1.69381555
  H      0.07194163     -3.61997836      0.97041599
  O      0.79552095      2.90614958     -1.01940897
  H     -0.12074942      0.96683479      1.16984989
  H     -1.15030246     -4.49613041      0.61466515
  O      2.23367243     -0.81381330      1.68260566
  H      0.47874612      1.23731455     -0.23170659
  H      2.14360599      3.74638915      6.52201420
  O     -3.19391423     -1.56515860      4.54392864
  H     -1.63264004     -2.04432620      0.32820403
  H      1.93004944      2.53418736      5.58518770
  O     -0.88615443     -3.07428541      3.80694035
  H     -1.15342406     -0.58540833      0.14813111
  H      3.33124096      2.09366452      1.97705831
  O     -0.72936012      1.79088962      2.58562644
  H     -4.30417189      2.40020011      1.45772273
  H      4.76716032      1.57252850      2.22357016
  O     -3.81343688     -0.61959474      2.12903203
  H     -5.80063005      2.22522525      1.10992257
  H      1.41639753     -1.03247611      3.34336883
  O     -1.21420346      0.37824877      4.91560799
  H     -2.90295050      0.19984229     -0.84971626
  H      0.42859120     -1.90508192      4.15068110
  O     -0.90045427     -3.64700698      0.97127777
  H     -3.99962497      1.21082563     -0.47181083
  H      2.08974831      0.27192623      4.83808694
  O      1.54808209      3.38385515      5.87225383
  H     -0.14676518      3.13452560     -0.91470364
  H      3.08203358      1.19676613      4.09919873
  O      3.84827694      1.37139802      2.37834805
  H      1.02711755      3.10967481     -1.92132243
  H     -0.25371866      4.59496114      3.52984794
  O      1.01733509     -1.13793690      4.21683689
  H      1.54653304     -0.37440019      1.15873387
  H      0.99270571      3.98121372      4.21175500
  O      2.58690919      1.09547899      4.92157379
  H      2.89806907     -0.14310838      1.88007019
  H     -2.20297743      3.56753503      0.17865537
  O      0.59608689      4.17485969      3.35072634
  H     -3.98198089     -1.83541586      5.00595369
  H     -2.31793084      2.54137392     -0.96117557
  O     -1.83295026      3.33181826     -0.67847267
  H     -3.47379844     -1.23457195      3.66949622
  H      1.84619865      3.26511608      0.50498403
  O      2.35107737      3.35097892      1.32276203
  H     -1.72161086     -2.67028518      4.07387608
  H      1.76902355      3.77604541      1.96627630
          69
 Ord_Energy   -248.855743    
 O    1.55991220      -1.34162068       2.06759191    
 H    1.10632253      -1.62275147       1.25817096    
 H    2.14767766     -0.622185528       1.80840147    
 O   0.815610051       2.30057478       2.50036669    
 H   0.398158461       1.61228395       3.03277421    
 H    1.59737182       1.89642775       2.10162067    
 O   -3.87270522      -1.94179440       1.59682310    
 H   -3.72794747      -2.48941278       2.38222504    
 H   -3.49175453      -1.07613981       1.80173075    
 O  -0.385818779      -3.58010493E-02   3.61002851    
 H   0.273779958     -0.497754544       3.07142019    
 H  -0.632152557     -0.647379577       4.31427050    
 O   0.143926680       3.35278559      -2.13946414    
 H  -0.127724856       3.44596839      -1.20902300    
 H   0.388873488       4.22319269      -2.44294047    
 O   -3.00416970      -2.66751051      -2.57927203    
 H   -2.40776038      -2.10512686      -3.09759021    
 H   -3.52349472      -3.16506553      -3.20765543    
 O   -2.98241138      -3.46958709       3.70722747    
 H   -2.41978860      -2.99641109       4.33219814    
 H   -2.39955258      -4.09380770       3.25849676    
 O   -4.52296638     -0.796695530     -0.925368726    
 H   -4.07498598      -1.40758669      -1.51999950    
 H   -4.49434996      -1.21190965      -5.41893505E-02
 O   -4.00818253       1.88824296      -1.41395128    
 H   -3.89360976       2.32366657     -0.563313723    
 H   -4.28793764      0.978782713      -1.22454977    
 O   -1.80292952       1.44806695      -2.89892459    
 H   -1.15953791       2.15487003      -2.76549459    
 H   -2.63971162       1.70417130      -2.47622514    
 O   -1.06259334      0.566614866     -0.303992182    
 H  -0.729726195       1.41645563       1.06150601E-02
 H   -1.40933228      0.732783020      -1.18814838    
 O   -1.37418056     -0.953276217      -4.04598141    
 H   -1.28475118     -0.858826697      -4.99129057    
 H   -1.54835069      -6.24426492E-02  -3.69196773    
 O    2.92051625      0.951141536       1.13550520    
 H    3.85242915       1.15095317       1.16757882    
 H    2.64187837       1.07616222      0.210389256    
 O   0.723348796      -3.49962544       3.67269921    
 H    1.16587734      -2.83348656       3.12924480    
 H   0.196537107      -4.04220676       3.07280111    
 O  -0.660364270       3.27420521      0.452506602    
 H  -0.127248585       3.05515957       1.23331952    
 H   -1.58472753       3.32335806      0.724648178    
 O    2.09577799       1.30748057      -1.41959512    
 H    1.51999915       2.01053810      -1.73510039    
 H    1.84302294      0.509442508      -1.90664399    
 O   -1.13125920      -4.96889496       2.05106187    
 H   -1.47628713      -4.51797771       1.26341569    
 H   -1.13239431      -5.90231419       1.85227907    
 O   -3.37519693       2.96835828       1.22073233    
 H   -3.98259020       3.41096735       1.80814433    
 H   -3.19206834       2.09668994       1.61121619    
 O   -2.17955041      -3.44859433       8.56520026E-04
 H   -2.44478774      -3.31064653     -0.916194260    
 H   -2.78013420      -2.91939449      0.548513591    
 O  -0.971890569      -2.18895912       5.33053589    
 H  -0.319537699      -2.70048809       4.81667471    
 H  -0.797058642      -2.36525273       6.25106525    
 O    1.19232166      -1.03584123      -2.63587809    
 H   0.944896042      -1.49653387      -1.82171512    
 H   0.403100699      -1.05591464      -3.18622756    
 O   -2.56300163      0.466226548       1.98731017    
 H   -2.13399053      0.408682764       1.11921346    
 H   -1.86572337      0.317841262       2.64106441    
 O   0.130549088      -1.88865900     -0.191821605    
 H  -0.248390958     -0.995580256     -0.234319121    
 H  -0.613420665      -2.49727869     -0.117651343    
          69
 Energy    -248.85532751921707     
  O     15.27633798     10.43803224    -14.44707831
  H     14.39399602     10.10596986    -14.64346488
  H     19.23285316      4.54842309    -15.71763939
  O     13.68817441      4.55614595    -16.45274698
  H     15.76985611     10.41628537    -15.28135673
  H     19.13283773      7.70377811    -16.79740713
  O     17.78697537      6.37278289    -12.02871177
  H     13.65600228      4.47921756    -15.49093085
  H     17.89659346      7.70864379    -15.87211852
  O     19.68450073      6.38480338    -18.04485874
  H     13.67019719      5.50638537    -16.63596170
  H     16.77474476      5.82736195    -15.54933398
  O     16.95662473      6.09131546    -18.83934148
  H     17.20194743      7.10027336    -12.29615647
  H     15.63491244      6.84827530    -15.90272832
  O     13.66185994      6.05974375    -10.28130996
  H     18.60721965      6.50826848    -12.51679633
  H     11.91490869      9.28928234    -14.68491632
  O     13.85785097      4.66955382    -13.63446936
  H     20.43686697      6.37054506    -18.63028574
  H     12.95612629      8.36215283    -14.01930301
  O     16.15538176      8.21459772    -13.15630653
  H     19.90755372      5.81742006    -17.28509928
  H     15.99580506      3.76337576    -10.21589812
  O     17.49022087      4.11624701    -15.64825083
  H     16.60907562      5.24185789    -18.54482100
  H     14.78747909      2.99212591    -10.78279939
  O     12.99126365      3.45947216    -11.29813993
  H     17.89051297      6.11758369    -18.59682621
  H     13.56998645      7.92005839    -16.14400786
  O     15.81185968      3.63411004    -17.81787935
  H     14.58622064      5.95809596    -10.02324018
  H     14.41768542      7.77082537    -17.45674065
  O     20.10943261      4.95845230    -15.78186440
  H     13.34114443      5.16817932    -10.46588600
  H     20.69354728      7.56661306    -13.49411746
  O     18.74249921      8.15535396    -16.03872188
  H     13.72197951      5.59880151    -13.40340567
  H     19.54039971      7.53561232    -14.51693481
  O     16.46613297      6.73270884    -15.42533084
  H     14.79756209      4.48012747    -13.49858044
  H     16.99610470      4.84640492    -12.77602413
  O     12.78762955      8.92084864    -14.79742018
  H     16.27870361      7.66881856    -13.94949136
  H     16.33582431      3.52100073    -12.30932622
  O     15.74922880      2.96416523    -10.69937443
  H     15.94644854      9.10528993    -13.47350708
  H     16.99835523      5.87272265    -10.46881093
  O     14.03480501      7.29144293    -16.71057680
  H     17.12149232      3.88649522    -14.78296549
  H     16.91911688      5.84795552     -8.92850476
  O     19.93859335      7.05302910    -13.77345591
  H     16.91835430      3.77680658    -16.34754911
  H     16.06468991      7.57890552    -18.84025659
  O     16.52999807      4.06023766    -13.08931649
  H     13.19702083      3.80981056    -12.18103990
  H     15.35929992      8.68026288    -19.66752958
  O     16.45766021      5.57709381     -9.71894115
  H     12.19620482      2.94036257    -11.38672735
  H     14.49517161      7.65972402    -12.79368207
  O     15.54165717      8.39863027    -18.77508408
  H     15.58253086      2.87818131    -18.35128025
  H     13.50028965      6.98232463    -11.81335240
  O     13.59219289      7.31680911    -12.71709638
  H     14.99727789      3.91705111    -17.36304770
  H     16.36117865      9.58461500    -17.50102947
  O     16.75920667     10.08743366    -16.78062919
  H     20.18214153      5.54160967    -15.01845300
  H     17.56718516      9.61364969    -16.54946321
          69
 Energy    -248.85528910357664     
  O     16.63837439     10.64532431    -11.08399532
  H     15.88263329     10.36639878    -11.62140753
  H     13.13832736      9.94997040     -9.07174218
  O     15.60044578      5.00202475     -7.40674595
  H     17.41315322     10.14654423    -11.37391974
  H     12.56119783      8.58539642     -5.64577892
  O     16.43522792     13.11548296     -9.98690590
  H     15.77280551      4.20034706     -6.92170174
  H     13.31852764      8.97501838     -6.93626167
  O     13.10869394      6.16080796     -8.19171271
  H     15.73597178      5.74344069     -6.78678101
  H     16.25664645      5.81198706     -8.91106801
  O     14.52185125      9.66366570    -12.52624107
  H     16.49559757     12.25307856    -10.43475903
  H     16.35687195      7.30601051     -9.33877440
  O     18.87215531      9.09355220    -11.65516416
  H     16.18170778     13.75284010    -10.64921475
  H     16.54575566      7.44997917    -13.14333644
  O     20.42418754     10.74376772     -9.98818272
  H     13.04196339      6.85564320     -7.52579883
  H     17.84238991      8.29654112    -13.09178934
  O     19.19060847      6.69051808    -10.21983804
  H     13.89023837      5.64822309     -7.95381489
  H     16.63166846     12.02220697     -6.58186795
  O     12.53403448      6.63666460    -10.80103474
  H     14.76769060      9.78638563    -13.45424460
  H     17.50222458     12.38341995     -5.35285705
  O     15.21703453     12.28953500     -7.54491184
  H     14.71001688      8.73762636    -12.31322006
  H     15.53694759      9.48467116    -15.96256785
  O     12.42944884      9.51564120    -10.65403995
  H     18.98807447      8.24688938    -11.20315176
  H     16.26718754      9.05558560    -14.67861687
  O     13.68762478     10.03650362     -8.27945887
  H     19.47214810      9.70740315    -11.21007471
  H     16.39611889      9.61416503     -9.59682714
  O     13.22041639      8.27955075     -6.26321539
  H     21.27093949     11.16730039    -10.10225477
  H     16.71881408      9.11088404     -8.13748194
  O     16.55868251      6.39703700     -9.61599312
  H     19.86027101     11.37423195     -9.50510780
  H     18.06643130     12.79406021     -9.09710722
  O     17.21297430      7.88070139    -13.69318980
  H     18.26239599      6.49910258    -10.00229427
  H     18.49570524     12.24982606     -7.72450846
  O     17.49054341     11.86033476     -6.14968690
  H     19.56838170      5.88450000    -10.56214843
  H     16.50853452      7.83444715     -6.00979174
  O     15.63563454      9.70139804    -15.03942246
  H     12.72624123      6.45117030     -9.86454293
  H     14.97555971      7.61883085     -5.87528250
  O     16.14367679      8.98872001     -8.90562140
  H     11.78696494      6.09369556    -11.03904975
  H     15.64088232      6.70088770    -11.16682932
  O     18.81880791     12.42791619     -8.61558196
  H     15.51577579     12.65579700     -8.38687154
  H     14.19057905      6.78601784    -11.66258310
  O     15.82904136      7.16983606     -5.83374133
  H     14.58168301     11.59449766     -7.75975469
  H     20.16477831      9.31845106     -8.73207683
  O     15.10211031      6.97886295    -11.91994325
  H     12.33434188      8.55645436    -10.69834192
  H     19.73953616      7.84412981     -8.78626456
  O     19.89559258      8.57617714     -8.17756390
  H     13.05223495      9.73803618    -11.35949833
  H     17.70107795     10.04036054     -6.36436190
  O     17.69876007      9.11282065     -6.63104248
  H     14.53785928      9.62234168     -8.49404642
  H     18.54040801      8.91903983     -7.07186148
          69
 Energy    -248.85509184580638     
  O     16.87473767      3.65701235    -15.31863658
  H     16.61516208      3.11622332    -14.56251825
  H     19.50836579      5.92245296    -14.17211242
  O     18.26916115      9.62687995    -10.74653169
  H     16.25310535      4.39613884    -15.34217843
  H     14.82676597     10.19351640    -15.13849249
  O     12.92790668     10.55443298    -11.71907506
  H     19.01932338      9.49742624    -11.34468289
  H     15.72595009      9.04477120    -15.64369149
  O     17.03045531      7.95063070    -14.72883825
  H     18.26602520      8.89926822    -10.11358773
  H     12.44984282      7.54912329    -16.23717214
  O     19.51048224      4.21490284    -14.92131553
  H     13.50437279     10.89765097    -12.41747207
  H     13.61959304      8.33107946    -15.59483524
  O     12.09510842      7.98595392    -12.81461993
  H     12.55628700      9.73819447    -12.06733768
  H     15.48283813      8.42512349    -11.89050317
  O     17.84681681      7.38565783     -9.08206140
  H     16.70927814      8.34231484    -13.90068919
  H     16.82393318      9.22736263    -11.77223876
  O     14.24841366      7.18861388    -11.18390905
  H     17.89383087      7.57358196    -14.52323156
  H     16.22061089      1.48947058    -12.49283171
  O     16.34521322     13.29744026    -12.66842382
  H     18.58122155      4.02699842    -15.14454910
  H     17.29360369      2.60476494    -12.54596040
  O     15.31817004      8.27397231     -8.88511377
  H     20.04234382      3.83413053    -15.61485972
  H     13.77703583     11.41003671     -8.80377191
  O     15.21021871      5.90980164    -14.93223614
  H     11.18234659      7.70960660    -12.76988061
  H     13.79605435     10.75754937    -10.20198943
  O     19.31884959      6.73073541    -13.68122054
  H     12.37545128      7.87142145    -13.73600115
  H     17.08052418      5.60921859    -11.68552774
  O     14.87354861      9.47490555    -15.78631879
  H     18.21131781      7.19470106     -8.22215681
  H     17.94982475      6.31785226    -10.59803845
  O     12.96504241      7.62428774    -15.43821151
  H     16.93336392      7.69646077     -8.94060022
  H     15.34112582     10.44802990    -13.13303016
  O     16.10109270      8.98991888    -12.36825091
  H     14.57942681      6.33955690    -11.50834168
  H     15.36845649     11.98226568    -13.38342926
  O     16.37399973      2.38459587    -12.78152649
  H     13.45808796      7.40819857    -11.69125579
  H     17.39367564     11.22861320    -10.39754280
  O     14.31253408     10.87650455     -9.38594067
  H     16.54926118     12.89246359    -11.80747860
  H     15.96795420     11.62756721     -9.95868040
  O     17.98666633      5.82326003    -11.42530607
  H     16.56937742     14.21969279    -12.58583352
  H     15.62957535      4.05215653    -12.37995242
  O     14.88730275     11.16975954    -13.59518594
  H     15.02284076      9.19079378     -8.94151939
  H     15.33596081      5.31011554    -13.23758208
  O     16.79258145     11.98065271    -10.31387760
  H     14.84393731      7.80965931     -9.58984370
  H     19.26343725      3.51852113    -13.12616357
  O     15.44515038      4.99752608    -12.32699861
  H     14.37879460      6.34366386    -15.14847475
  H     18.70447900      4.12956910    -11.82862006
  O     18.88400679      3.28737028    -12.26927477
  H     15.88660799      6.60549400    -14.92108711
  H     20.64937201      9.66951815    -13.25813987
  O     20.25759139      9.11073821    -12.59068864
  H     18.86906343      6.45806856    -12.86620184
  H     20.03926086      8.27666058    -13.03418470
          69
 Energy    -248.85491722530497     
  O     14.16383191      0.69577069    -10.88651915
  H     13.21922188      0.86906640    -10.99329307
  H      7.93719519      4.80421374    -13.83602596
  O     11.54868908      1.65400196    -11.39303144
  H     14.46896291      1.25769842    -10.16268189
  H      9.84983349      6.43761964    -11.27846105
  O      9.23052711      5.34118963    -14.86011491
  H     11.43525176      2.21420497    -10.61235350
  H      9.89730206      7.97974590    -11.32113367
  O     16.35471412      3.63571230    -11.40456165
  H     10.72641337      1.75056979    -11.89255128
  H     10.21131445      4.21677637    -12.26440214
  O     11.05193555      3.58466482     -9.44948568
  H      9.82088620      6.08763324    -14.67811233
  H     11.45166817      5.15619364    -12.32657665
  O      9.41361946      2.56242027    -12.95236162
  H      9.79301262      4.63021880    -15.18381743
  H     15.66270020      2.35926896     -8.16006380
  O     12.95961259      2.62285502    -13.66174141
  H     16.15076547      2.97990840    -12.08113955
  H     14.62002856      3.29483038     -8.80893250
  O     12.98271778      5.39865626    -13.28060198
  H     16.11125638      3.22473215    -10.56521406
  H     10.93093719      2.49441001    -16.20884236
  O     13.19952094      8.10078498    -10.46985466
  H     10.95822477      4.12674732    -10.25036696
  H     11.64382566      2.81657815    -14.87793879
  O      7.41336106      5.33421260    -10.57696656
  H     10.22407830      3.68648115     -8.96521273
  H     13.27753415      5.49626821     -8.29145939
  O     11.21864408      9.07298856    -12.05828471
  H      8.55938390      3.01140690    -12.99192807
  H     12.60885121      4.23892381     -8.90786759
  O      7.28712923      4.36022495    -13.25979623
  H      9.77959671      2.59434493    -13.84691136
  H     15.03948313      1.10819845    -12.33179379
  O      9.42433042      7.23662099    -10.92989336
  H     13.85272359      2.25736981    -13.63469274
  H     16.02039348      0.82042534    -13.49652087
  O     10.68117397      4.91562483    -11.79558098
  H     12.51619733      2.32717119    -12.85402750
  H     15.32874003      5.12385715    -11.27742282
  O     15.21636235      2.54763618     -8.98212800
  H     13.59638481      5.57610796    -12.55381813
  H     14.17362395      5.37354578    -10.28701259
  O     10.81472519      2.93427467    -15.37023468
  H     13.07772624      4.46406584    -13.50245150
  H      7.90661535      3.94473500     -7.75813511
  O     13.46536617      4.64766806     -8.71169955
  H     13.01644787      7.89001701     -9.54685767
  H      8.09825954      4.60237221     -9.14416033
  O     15.45242773      1.49153285    -13.12814909
  H     13.81053522      7.41762482    -10.77387422
  H     12.76850280      7.69207266     -7.02209719
  O     14.60307487      5.73160415    -11.07509565
  H      7.29477207      4.97101678    -11.46217667
  H     11.68474706      7.03507944     -7.91217527
  O      8.56957327      4.28514439     -8.35231745
  H      7.93537201      6.14006428    -10.69794344
  H     11.89519835      6.68749185    -14.07706303
  O     12.64552419      7.16316958     -7.80552360
  H     11.32217953     10.01768552    -12.13367515
  H     11.13698825      7.94167413    -13.61411463
  O     11.14325589      7.25658638    -14.29185656
  H     11.95618935      8.75437918    -11.50759693
  H      9.80614749      7.05831860     -9.14017272
  O     10.02020408      6.77893767     -8.23859061
  H      6.46247022      4.34907561    -13.73833307
  H      9.53058211      5.96120094     -8.10052147
          69
 Energy    -248.85491664280070     
  O     15.52138943     10.35719831    -16.33208126
  H     14.63746093     10.34721766    -15.94570712
  H     20.78827910     10.16922828    -16.60908370
  O     17.05925533     13.21951278    -10.75835301
  H     15.47530808      9.95285507    -17.20877845
  H     16.30966919      8.42309943    -13.85789250
  O     19.50107594      8.29632787    -14.27312971
  H     17.11339206     14.14891473    -10.96422242
  H     16.38105492      9.15253246    -15.24012352
  O     14.80431941      6.71190641    -17.31844169
  H     17.11265189     12.74135360    -11.60422447
  H     12.29399454     10.59410372    -14.91341335
  O     16.81998286      9.64913001     -8.46809546
  H     19.60938504      7.33854906    -14.23822314
  H     13.53877549     10.51387766    -14.00218581
  O     15.37942704      8.35617073    -12.28354405
  H     18.54696173      8.44258930    -14.39446032
  H     16.60734074      8.00876576    -11.12259335
  O     17.18235409     11.59399012    -12.95897691
  H     15.00086213      7.44698836    -17.91046247
  H     17.17450526      8.25790747     -9.70984836
  O     19.20809967      5.47806872    -14.19905291
  H     15.66224256      6.36437358    -17.04110443
  H     13.26569922      8.22422901    -14.98443879
  O     14.35310589      5.87932692    -12.94129782
  H     17.54414298     10.22715395     -8.76888386
  H     13.82752109      7.07159050    -15.86179262
  O     17.39805819      6.30311862    -16.25563624
  H     16.87157314      9.61987099     -7.51618044
  H     19.00171576     10.76028297    -10.35635780
  O     17.22449204      5.57956263    -12.35381427
  H     14.87467856      9.17587639    -12.32526294
  H     18.27563342     12.03588295     -9.88260371
  O     19.87868542      9.92737665    -16.45157511
  H     14.81047793      7.59234280    -12.44413560
  H     18.44641662      8.94927504    -11.41151831
  O     16.81130904      8.49598190    -14.67864521
  H     17.74857692     10.89468118    -12.60611063
  H     19.32288109      9.22339898    -12.65623442
  O     13.14959044     10.18009143    -14.82821468
  H     17.44136020     11.74196573    -13.87998563
  H     15.62095513     12.12745924    -10.06238737
  O     17.34431211      7.78043472    -10.53050205
  H     19.74138340      4.70370634    -14.04278555
  H     15.46849458     10.75366794     -9.39327065
  O     13.39573566      7.27189098    -15.01710606
  H     18.50397998      5.47220827    -13.52486670
  H     18.04721423      7.51760869    -17.53532818
  O     18.73454469     11.24781204     -9.56513177
  H     13.70099296      5.25542706    -12.63439604
  H     18.79976208      8.86739037    -17.61988089
  O     18.91831624      9.64643572    -11.88972258
  H     13.98354941      6.29704184    -13.74171456
  H     15.38859489     11.19059596    -12.82539653
  O     14.98758622     11.41511010     -9.90394172
  H     17.08506006      7.03668281    -15.70194335
  H     14.44896572     11.12595480    -11.60706123
  O     18.19629635      8.28869661    -18.09979639
  H     18.03686617      5.83379288    -15.70936550
  H     18.54062162     11.23425081    -15.94718982
  O     14.48598997     10.95783435    -12.56038504
  H     16.28845856      5.60014154    -12.58398030
  H     17.00572763     11.39747366    -15.96937474
  O     17.81942046     11.77535685    -15.60637827
  H     17.34241703      6.20340881    -11.62570429
  H     16.62572828      8.78782228    -18.62296227
  O     15.69312668      9.02757919    -18.77812103
  H     19.87436709      9.35043263    -15.66964890
  H     15.60741803      9.21914600    -19.70766293
          69
 Energy    -248.85483778706990     
  O     10.61247355      9.00002929    -10.42741009
  H     11.28966300      9.48423612     -9.92173338
  H     13.40310121      9.99742069     -9.01479617
  O     14.32676017     10.43541079    -13.07003486
  H      9.94503609      8.72727748     -9.80373412
  H      9.04030474      9.12323350    -16.98206132
  O     16.23401334     13.43989711    -14.71355887
  H     13.65016693     11.10337283    -12.91028242
  H      9.55125059     10.25090329    -16.05307048
  O     17.27389272      8.78557197    -12.82726293
  H     14.18107329     10.03669567    -13.93739417
  H     13.13234402     13.11959299    -14.14079141
  O     10.63625793     10.46411889    -12.80624883
  H     16.57358904     14.30515495    -14.93271408
  H     12.62952776     13.65152735    -15.49330595
  O     10.95875130     13.65267886    -16.33042536
  H     15.27032714     13.49410114    -14.81207407
  H     16.86342732     10.46794159    -16.22500247
  O     13.98981093     11.43948391    -16.98614041
  H     17.30378981      9.73559279    -12.65100935
  H     16.70591625     11.98509429    -15.94693472
  O     15.17964299      9.34654563     -9.10014010
  H     16.52068056      8.43582994    -12.33399226
  H     14.18993569     12.72163600     -9.98895726
  O     12.50171589     12.45862843    -12.61147466
  H     10.99116261      9.79712288    -13.41268457
  H     13.22062487     13.80372725     -9.45053389
  O     14.05629727      9.12286586    -15.50087413
  H     10.50177481     10.01545923    -11.96244542
  H     16.22342223     11.92085708    -10.84085261
  O     16.75137712     11.58064051    -12.59841864
  H     11.06601346     12.93595861    -16.98226537
  H     15.68495614     11.10064013     -9.64200374
  O     12.52821945     10.38901370     -9.12765814
  H     10.50724715     14.36378751    -16.77783357
  H     10.93563955      8.68294840    -15.29905577
  O      9.83105403      9.49166486    -16.59620172
  H     14.95480400     11.41438968    -17.06652696
  H     12.43476909      8.60923661    -14.92501503
  O     13.43250687     13.39968874    -15.01848151
  H     13.78975697     12.09917698    -16.30840036
  H     17.03872591      8.66746620    -14.55705290
  O     16.70417496     11.32129393    -16.64708397
  H     15.65488055      8.76687360     -8.51079622
  H     17.36767715      7.98954113    -15.90671912
  O     13.26063171     13.01736292     -9.98795102
  H     15.06361935      8.86407321     -9.93709468
  H     12.32490798     11.38758934    -17.78638131
  O     15.75275367     11.99459339    -10.00039366
  H     11.76535880     11.82924961    -12.61245116
  H     10.92837827     10.73394757    -17.61547159
  O     11.54087008      8.49567362    -14.57072879
  H     12.69054399     12.71437966    -11.69968810
  H     11.65897285      7.74203714    -11.46547799
  O     16.82734190      8.66598280    -15.50650637
  H     13.97153559      9.87704319    -16.10216965
  H     11.96384865      7.50454724    -12.95205236
  O     11.37991648     11.51675857    -17.95198514
  H     14.97342512      8.82493190    -15.54823897
  H      9.84293159     12.39471613    -15.28470032
  O     12.23641749      7.24973963    -12.06171047
  H     16.78519715     12.29973653    -13.23799431
  H      9.67191131     11.34807924    -14.14903633
  O      9.31841793     11.63722169    -15.00126629
  H     15.89473200     11.15162296    -12.76337429
  H     14.60180741      9.03826917    -12.02958815
  O     14.76855088      8.21811157    -11.53907030
  H     12.67988503     11.31332504     -9.35688361
  H     13.96624399      7.69293811    -11.66537474
          69
 Energy    -248.85462931109060     
  O     19.02951983      8.63191511    -11.65752999
  H     18.71951065      7.71802757    -11.57927854
  H     13.82915221      5.61800285    -16.81558194
  O     14.61402031     11.27459708    -15.36743074
  H     18.66180796      9.10456332    -10.90224089
  H     15.00520334      8.27288935    -15.46593371
  O     13.06447412      7.24581110    -11.62155176
  H     14.44925684     10.36129458    -15.65358835
  H     13.90920152      7.89682490    -16.49806057
  O     12.22030386      3.77879865    -14.25422907
  H     14.29929052     11.84159621    -16.06734367
  H     13.55861004      5.56564278    -12.05366206
  O     13.31256330     10.89882235    -12.80146613
  H     13.98653877      7.54667384    -11.69786136
  H     13.32090936      4.26180830    -12.85583890
  O     15.77141958     10.71971920    -11.30533335
  H     12.59876853      7.66480034    -12.35470572
  H     15.71075071      8.97079875    -11.65164702
  O     16.91915369     11.41618825    -13.68592878
  H     11.84515182      4.63638059    -14.52510040
  H     16.33864318      7.52179381    -11.54782369
  O     14.58696119      4.45317169     -9.52781123
  H     11.51917384      3.13643880    -14.31888525
  H     19.56928027      9.31548968    -14.68956689
  O     14.53345509      4.33995919    -15.85080276
  H     13.71726742     11.18346035    -13.63026647
  H     18.88440665      9.07464648    -13.32304261
  O     17.66944802      9.83140998     -9.41592286
  H     14.02964042     10.89054239    -12.15576227
  H     13.21075286      7.15888587     -9.84883966
  O     11.39509393      6.20664950    -15.14249235
  H     16.41839300     10.61490405    -10.59796394
  H     12.74238424      7.32921606     -8.38738720
  O     13.33154810      6.32367975    -17.26685646
  H     16.24079031     11.05130852    -12.08880266
  H     16.65522947      6.78399728     -8.60086128
  O     14.20666878      8.60013481    -15.90894595
  H     17.56403637     10.75746378    -13.97040410
  H     15.31515840      7.54072934     -8.65651446
  O     13.93200981      4.69311555    -12.24613997
  H     16.20943881     11.41008540    -14.34046844
  H     12.42647368      9.43739239    -13.41563696
  O     15.60620936      8.04180022    -11.89969242
  H     14.36620734      4.37369186    -10.46586180
  H     12.88069940      8.55389677    -14.58232754
  O     18.71792199      9.27255043    -14.26314427
  H     14.11707461      5.23415028     -9.20972931
  H     16.25712163      4.69713812     -9.17553338
  O     13.47120543      7.02422125     -8.92214133
  H     13.79307226      3.99214684    -15.33723859
  H     17.58338467      4.31985262     -8.46834237
  O     16.26651970      7.66583674     -8.55848784
  H     15.25863807      4.45802994    -15.22656053
  H     17.22317727      8.21212722    -14.56203991
  O     12.22116586      8.61012554    -13.87752537
  H     17.16840154      9.07067594     -9.07124028
  H     16.04290578      7.91354881    -13.60737546
  O     17.17403908      4.98557125     -9.01344853
  H     18.08253104     10.24938417     -8.66486117
  H     17.37995085      5.65677540    -12.20343754
  O     16.37996958      7.74635811    -14.50186958
  H     11.92345316      6.30320467    -15.94496536
  H     17.60503050      5.69373874    -10.65663835
  O     17.71432298      6.19452617    -11.47467744
  H     11.48335483      7.03962731    -14.66240060
  H     15.50884977      4.95952836    -13.17044281
  O     16.32250600      5.05357194    -13.68921072
  H     13.24838004      6.06088336    -18.17944870
  H     16.33679370      5.94787315    -14.06113982
          69
 Energy    -248.85440166782035     
  O     -3.98523548      2.24513128     -3.59474114
  H     -4.29804899      1.41370049     -3.19592954
  H      0.01336366      2.18298047      1.97527648
  O     -3.54247898     -1.58541740      1.85149965
  H     -4.16623363      2.18849865     -4.52975282
  H     -3.12813242      3.63315311      0.42637705
  O     -1.13476913     -0.73642189     -1.47395701
  H     -3.65865346     -0.78754827      1.30905097
  H     -1.97401175      2.72266578      1.02062685
  O     -4.95656266      0.11232587     -2.21144788
  H     -4.08758142     -2.25694505      1.42504528
  H      0.91800022     -0.69837625      1.28893366
  O     -5.22754197     -3.03845313      0.17312296
  H     -1.34183242      0.17098968     -1.73865983
  H      1.90829381      0.47477013      1.19274679
  O     -3.53552861     -2.23534157     -1.79609123
  H     -0.19728382     -0.87104814     -1.66304263
  H      2.34605026      3.06081050      1.25226863
  O     -1.58836084      1.95523466     -2.12381706
  H     -5.90561313      0.28549775     -2.17412418
  H      1.49017115      2.35615126      0.17330326
  O     -0.95879563     -0.74653301      1.31376213
  H     -4.62975285      0.27375370     -1.31100052
  H     -7.48372392      0.31255620     -0.86208041
  O      1.68092007     -0.77968878     -1.66785796
  H     -4.61293801     -2.81884444     -0.55068874
  H     -8.43088401      0.98026686     -1.88354337
  O     -6.16847994      0.76675082      2.36776758
  H     -5.50087324     -3.94127371      0.03379748
  H     -3.46166579      1.36838471      4.08683007
  O     -4.30121961     -0.38470282      4.19457917
  H     -2.65113686     -1.86316552     -1.68867502
  H     -2.30659894      2.16528131      3.44334995
  O     -0.87565139      1.90092138      2.22420393
  H     -4.07418834     -1.50666752     -2.13524362
  H     -6.59037966     -1.60002278      0.32137618
  O     -2.52271930      2.90406209      0.24576585
  H     -2.29215799      2.12773383     -2.75823790
  H     -6.95919594     -0.34758698      1.15921051
  O      1.82325918     -0.47315640      1.03210552
  H     -1.88134445      2.34869211     -1.28647466
  H     -4.89123161      0.81096394      1.01049436
  O      1.66681825      2.40307286      1.13012140
  H     -1.73794364     -1.21183884      1.63971945
  H     -3.61941195      1.46029310      0.37555819
  O     -7.52507730      0.96271797     -1.58715642
  H     -1.04425003     -0.72863820      0.34908932
  H     -4.74762433      5.66881618      0.26497628
  O     -3.16027650      2.26164510      3.88253067
  H      2.36964902     -1.33009945     -2.02970308
  H     -5.09929243      4.27049849     -0.29805037
  O     -7.21238911     -0.86702219      0.38149903
  H      1.82315617     -0.74507422     -0.70460326
  H     -6.42906552      2.60287584     -1.51699777
  O     -4.16707670      0.66569957      0.38623928
  H     -5.68485460      0.34688712      3.08870730
  H     -5.19939077      3.09934484     -2.30371996
  O     -4.62127369      4.73534429      0.41199619
  H     -6.08592003      1.72395771      2.50766134
  H     -4.63454329      3.09182316      3.19464172
  O     -5.81086651      3.33852489     -1.59732460
  H     -3.98120025     -0.91137506      3.44324135
  H     -5.22621813      3.90128188      2.01274671
  O     -5.46473152      3.34250682      2.75972443
  H     -4.32128330     -0.96417792      4.95182735
  H      0.25326697      2.12516092     -1.83418257
  O      1.16458112      2.04471159     -1.52307281
  H     -0.94134450      0.97040651      1.96453892
  H      1.42781605      1.13646969     -1.71593326
          69
 Energy    -248.85398966779672     
  O     12.18226864      4.18572539    -11.70456745
  H     12.87972073      3.99197704    -12.34452766
  H     17.35316261      7.58061845    -11.83227661
  O     15.58895860     10.45306220    -14.92988027
  H     11.45741050      4.59266335    -12.19424616
  H     13.66721548      7.77718132    -11.52270474
  O     18.27168751      7.84003825    -13.35275192
  H     14.84929820     10.49644756    -14.30118679
  H     15.15488167      7.66980767    -11.93650601
  O     16.66047127     10.17942125    -10.24512677
  H     15.43822400     11.13664232    -15.57863518
  H      9.30221525      5.12309943    -13.43486665
  O     11.07432436      9.60435745    -13.82821478
  H     18.87425544      7.09129579    -13.43864466
  H     10.51335919      5.98662017    -13.86000142
  O     16.64395467      2.92487432    -14.74334339
  H     17.60301536      7.74995722    -14.04789194
  H     20.57297040      5.16139108    -13.58910626
  O     11.30500265      7.00719916    -15.03215706
  H     17.21988408     10.66775906     -9.64618303
  H     19.13010762      4.84730324    -13.12268422
  O     15.81907867      4.89098347    -10.93593067
  H     16.96691055     10.38748338    -11.14600582
  H     14.01039021      6.88091081    -13.75330696
  O     13.80650287     10.57663367    -10.29849443
  H     10.54530070     10.36397140    -14.06034362
  H     14.13099384      5.44825549    -14.28634507
  O     17.71495443      5.21486098    -15.75377835
  H     11.94731785      9.94110560    -13.57136487
  H     16.92628483     10.61788555    -13.53625475
  O     13.62129585     10.30576747    -13.01380512
  H     16.98068724      3.72583515    -15.18340321
  H     17.98672218      9.65183890    -12.99413318
  O     16.75151996      7.48933867    -11.07901461
  H     16.76654196      2.20232853    -15.35282537
  H     15.48458056      7.20148285    -15.14934920
  O     14.26098653      7.76801884    -12.28614315
  H     11.23391496      7.92445170    -14.74114022
  H     16.07501145      8.62149060    -15.33542019
  O     10.11710364      5.50080125    -13.11492723
  H     12.24579092      6.78244491    -15.01396587
  H     17.55740920      3.31804664    -13.09162146
  O     19.66934952      5.45607288    -13.65942975
  H     15.05254737      4.92165987    -10.35097565
  H     17.31733700      4.04594685    -11.75020131
  O     13.99204870      6.35997662    -14.57297590
  H     16.20204178      5.78020618    -10.91684532
  H     10.60415108      8.51242097    -12.29247411
  O     17.54114847     10.48960369    -12.80534274
  H     14.75920327     10.46720690    -10.18638759
  H     10.28441948      7.03861248    -11.99712095
  O     16.30528985      7.68519265    -15.32673918
  H     13.41037867      9.73431366    -10.03773295
  H     14.98572081      4.30864005    -12.49793722
  O     18.00872104      3.75320855    -12.35723717
  H     18.47630750      5.33710266    -15.17240805
  H     15.15914871      3.48789700    -13.80338376
  O     10.49365213      7.87985381    -11.57296862
  H     17.25941916      6.06464460    -15.78376766
  H     13.10717751      4.65873689     -8.73556743
  O     14.51234291      3.96579003    -13.27025462
  H     13.88067477      9.37909217    -12.88394288
  H     12.87269360      4.80801323    -10.25803436
  O     13.36192644      5.17339224     -9.49712825
  H     13.61855097     10.66540894    -12.11502045
  H     12.91759845      7.02081339     -9.68913006
  O     12.72888451      7.91315075    -10.00315021
  H     16.73295522      8.34101375    -10.62527667
  H     11.86439708      7.89387345    -10.44564279
          69
 Energy    -248.85350402045680     
  O     13.13632452      8.58143906    -11.48658555
  H     13.14604412      9.36077491    -12.05772253
  H     18.82776991      4.77886845    -12.08097920
  O     14.59901557     11.52658504    -16.73108182
  H     13.42485774      8.83332228    -10.59818242
  H     10.97240203      6.24136932    -11.81523737
  O     16.11082389     11.11077312    -12.57995587
  H     14.13463725     12.11477699    -16.12250482
  H     12.24899800      7.03537829    -11.49069664
  O     15.09632509      6.36383606     -8.90244127
  H     14.28242593     10.63826863    -16.52663746
  H     18.95731657      8.23082347    -12.18380247
  O     16.16497050     13.43151084    -14.11421910
  H     16.22348887     10.93914758    -11.63392163
  H     18.98199066      8.85926709    -13.59391120
  O     15.59045375      7.46324332    -12.31300307
  H     15.20946014     10.86241305    -12.81650101
  H     14.44682445     13.33311596    -14.39517790
  O     13.44306251     10.55469729    -13.40944997
  H     14.64277758      5.65668228     -9.37511133
  H     13.02776842     13.92928579    -14.55948387
  O     17.80022179      8.10835648    -10.75130477
  H     16.03744802      6.14980857     -8.92044871
  H     13.13853499      8.36709640    -16.17011310
  O     16.39626488     10.37817285     -9.96928131
  H     16.66639428     13.12045303    -14.87707674
  H     14.54117184      8.56060616    -15.54507071
  O     19.60422808      5.56775387    -13.62129051
  H     16.25171251     12.73328947    -13.44806758
  H     17.66145538     12.32674720    -17.19456288
  O     17.02841780      5.38211100    -14.80664981
  H     14.74464163      7.83529082    -12.03757747
  H     16.33135717     11.82128677    -16.58785202
  O     18.28091362      4.44747003    -11.35855438
  H     15.71730658      7.66973035    -13.24835157
  H     13.20874691      3.64158895    -10.03666431
  O     11.85017100      6.15085401    -11.45398785
  H     13.47346512      9.99688088    -14.19942636
  H     12.97201557      4.96803876    -10.79685933
  O     19.40525942      8.19197574    -13.04044008
  H     13.33142362     11.46176637    -13.72180969
  H     15.67215255      5.66380346    -12.32764100
  O     13.51741955     13.11225652    -14.58949607
  H     17.92542558      7.39153453    -10.11900425
  H     14.99533165      4.39916526    -11.77910545
  O     13.69912339      9.00896374    -15.74289428
  H     17.02342496      7.87526388    -11.28351089
  H     18.07362253      5.28147940     -9.86884774
  O     17.26282538     12.01956840    -16.38481107
  H     15.63908777      9.97084358     -9.53405487
  H     18.50164792      5.56926193     -8.40888289
  O     13.65885807      4.38604656    -10.42755826
  H     17.01601337      9.65323751    -10.13750259
  H     16.74029050      8.57205129    -14.93227215
  O     15.69116426      4.69506287    -12.37575878
  H     19.57891586      6.52386926    -13.43408434
  H     16.43595353      7.02523159    -15.07917307
  O     17.88532583      5.83204611     -9.08670289
  H     20.46653189      5.38173911    -13.98225496
  H     14.51314824      7.99512461     -8.88050571
  O     16.04292615      7.91014969    -15.03737684
  H     16.51253710      4.95903056    -14.10861193
  H     13.77269866      9.08800528     -8.07338718
  O     14.16331795      8.90407632     -8.92344776
  H     17.94136435      5.38835675    -14.49016751
  H     17.75106005     10.65283048    -15.18901626
  O     17.77276188      9.99292737    -14.48603585
  H     17.38087361      4.40062570    -11.71091000
  H     17.25449442     10.36131913    -13.75374437
          69
 Energy    -248.85331052648360     
  O     20.26000470      9.25046336    -14.18490072
  H     20.50202473      8.38515495    -13.83069334
  H     19.74289462      3.71001689    -13.75410285
  O     15.06942501      8.75784762    -10.61386226
  H     19.57885879      9.10060866    -14.85103552
  H     14.94919979     10.07428842    -14.72575834
  O     13.21033160     10.66028831    -14.37109386
  H     14.73307290      7.95495235    -11.03685030
  H     16.20347003      9.64934673    -13.91349674
  O     18.12631747      8.93097046    -16.12610510
  H     15.75604627      9.12096258    -11.19423083
  H     17.79729439      6.55399835    -11.75529867
  O     11.95797884      8.25857260    -14.65159888
  H     12.69726406      9.84788760    -14.53272190
  H     18.81348081      6.87531062    -12.88875242
  O     17.82657550      5.81616717    -10.08455086
  H     12.72987101     11.37466500    -14.78165599
  H     14.97094536      7.92590304    -14.75311721
  O     13.96252739      6.55218401    -11.96845627
  H     17.28525909      9.17917075    -15.71064242
  H     15.14569903      6.38405464    -14.76081596
  O     20.30045675      4.98739560    -10.84417400
  H     18.22303289      9.49719792    -16.88935985
  H     16.10722811      8.23016859     -9.22063967
  O     15.64950067      4.49210142    -10.98838204
  H     12.75046848      7.71922360    -14.78914333
  H     16.46492874      8.14355410     -7.72874845
  O     16.65046527      2.89140098    -13.14950105
  H     11.60507863      7.99149250    -13.79410111
  H     19.85961214      5.21052541    -15.62462807
  O     20.63470977      6.65561044    -13.11439755
  H     17.53127414      6.51517120     -9.48531029
  H     21.18152889      4.42126256    -15.79307959
  O     19.31970782      3.32550975    -12.97637109
  H     17.05458686      5.26988165    -10.30325435
  H     13.56149114      9.74699575    -11.14631780
  O     15.78219459      9.59055616    -14.78574771
  H     13.03027135      6.77913179    -11.86091982
  H     12.97902594     10.37307684    -12.43760337
  O     17.87780384      6.91057766    -12.65085823
  H     14.17398381      6.72184093    -12.89698635
  H     20.00401416     11.47555566    -11.87941214
  O     14.49187251      7.09061707    -14.66993238
  H     20.83711645      4.73150333    -10.09872407
  H     19.73456906     10.44645560    -12.99394645
  O     16.74761584      7.85806702     -8.59356794
  H     19.44025862      5.27000340    -10.48618431
  H     16.50382892      4.43337825    -14.14801930
  O     20.55700867      4.72936543    -15.14241555
  H     15.00208244      5.12469156    -11.32741090
  H     16.99517441      5.87388677    -13.84053153
  O     12.74034917     10.04007609    -11.56479942
  H     15.87532187      3.89723170    -11.71298000
  H     18.43283665      7.06544698    -16.29969851
  O     19.30351758     11.01489446    -12.33206629
  H     16.47659381      1.97198738    -13.33111893
  H     17.78520821      5.76322771    -15.79022636
  O     16.56114694      5.32427112    -14.51222366
  H     17.61627359      2.98387240    -13.05841417
  H     11.78319001      8.57566296    -11.71606590
  O     18.54721841      6.10849120    -16.27731197
  H     20.68268914      6.15840234    -12.28775593
  H     10.59045844      7.65346034    -11.36376916
  O     11.38100826      7.70571593    -11.89344760
  H     20.72305571      6.01204277    -13.83092590
  H     17.78121816     10.11639526    -12.26712627
  O     17.02747979      9.51748235    -12.36418827
  H     19.67830385      3.79797775    -12.21585383
  H     17.37514988      8.61985376    -12.47427759
          69
 Energy    -248.85325092979957     
  O     -7.27451979     -3.22917560      6.06792004
  H     -6.52364761     -2.69857527      6.35542390
  H     -2.80717210      1.17908798      2.62757348
  O     -9.37355525     -1.97586351      3.27690379
  H     -8.07071606     -2.71702303      6.27241388
  H     -6.55256727     -1.02722940      3.05119236
  O     -7.73694130     -4.23600138      3.62985057
  H     -8.63523255     -1.34982441      3.37601531
  H     -7.22275313      0.36263372      2.73544153
  O     -5.13018565      0.65935759      0.48788038
  H     -8.98056537     -2.85574681      3.33756552
  H     -4.44932274     -1.67014850      7.42193158
  O     -6.65411518      0.65552324      5.87221132
  H     -7.52594850     -3.93492611      4.53481738
  H     -4.62969870     -1.57713025      5.88669645
  O     -4.49494405      5.17489512      1.41038979
  H     -7.87597977     -5.17750889      3.67692693
  H     -0.60021827      2.52306657      2.25746215
  O    -10.08302520      1.37697804      0.95966285
  H     -5.43439204     -0.18552643      0.14082653
  H     -1.94063568      3.14358743      2.72471194
  O     -9.62024638     -1.73889488      6.18085330
  H     -5.92776676      1.11815961      0.79699956
  H    -10.43128083     -0.36349855      3.43343231
  O     -3.95280928     -1.65936828      4.30466668
  H     -6.14411905     -0.01765325      6.33912195
  H    -10.21736432      0.86982170      4.32952105
  O     -3.51287715      2.97438823      0.12976419
  H     -6.81425413      0.29573003      4.98357268
  H     -5.94674499     -2.46045453      1.47294550
  O     -6.44282769     -1.79423693     -0.20015950
  H     -4.18570197      4.41772099      0.88213789
  H     -6.42305020     -3.26108584      2.72947045
  O     -3.60829033      0.68585266      2.84469344
  H     -4.43965872      5.94269930      0.84817320
  H     -9.41247239     -0.36713954      0.49118517
  O     -7.15269326     -0.34914492      3.38658503
  H    -10.78672876      1.89929617      0.58518026
  H     -9.24390694     -1.61837105      1.36381889
  O     -5.09642410     -1.51085313      6.74051749
  H    -10.33647207      1.17759344      1.87928224
  H     -9.58369922      1.82582584      6.63862216
  O     -1.54542267      2.45625226      2.15771905
  H     -9.74422501     -1.89448869      5.23766462
  H     -8.39448464      1.04256065      6.04309138
  O    -10.60817886      0.58326893      3.49478717
  H     -9.61440276     -0.77918772      6.27777206
  H     -3.44967833      4.72587552      2.95613219
  O     -5.78254297     -2.61066878      2.41218049
  H     -3.71490394     -0.83479086      3.85928518
  H     -3.57354694      3.75387008      4.14751673
  O     -9.02113214     -1.24902236      0.50123873
  H     -4.47016673     -2.15394124      3.65610112
  H     -4.47872890      1.81980684      4.00889844
  O     -9.36253082      1.12401749      6.03117875
  H     -4.04917432      2.17176881      0.10002066
  H     -5.46568424      1.95076475      5.19073305
  O     -2.93508566      4.26350537      3.63047337
  H     -2.74397273      2.76230732      0.67400318
  H     -8.30356705      1.74240048      1.29652116
  O     -4.89165166      2.46001761      4.60688030
  H     -6.43753366     -2.24543585     -1.04039446
  H     -7.18242036      2.56975534      2.02684222
  O     -7.38177578      1.73440314      1.57593481
  H     -7.37236572     -1.58106594     -0.00308121
  H     -5.95156876      4.46624418      2.37459961
  O     -6.56934740      3.93996999      2.89763861
  H     -4.12355918      0.61366291      2.02966903
  H     -6.03346659      3.49454755      3.56888362
          69
 Ord_Energy   -248.852585    
 O   -2.11578794E-02   8.45120525       2.41803908    
 H  -0.331559479       8.41819859       3.33146000    
 H   0.676244259       7.78783417       2.35138655    
 O   -2.25407839       7.67502165       1.03494930    
 H   -1.45124471       8.07726097       1.39506841    
 H   -2.06482053       7.30454969      0.160138935    
 O  -0.959515512       8.09121418       5.12932920    
 H   -1.12537074       8.81074238       5.73364687    
 H   -1.73277593       7.50471640       5.17622328    
 O   -4.94708252       7.08391714       1.29550111    
 H   -5.07859182       6.63736725      0.451580882    
 H   -4.05346441       7.45412588       1.24914491    
 O   0.324173182       1.38386500       5.03350687    
 H   0.546869099       2.21194434       5.47763491    
 H  -0.572263777       1.17101097       5.32317543    
 O   -1.14785516       3.64464808     -0.614817560    
 H  -0.630589604       3.94721627      0.144507602    
 H  -0.897618234       2.72095156     -0.737677515    
 O   -2.18276834       3.86889386       6.15080929    
 H   -2.40136337       2.94495130       5.98740625    
 H   -1.22881269       3.88489366       6.30255985    
 O   0.234218165       4.18956137       1.77035820    
 H  -0.531491697       4.64855814       2.15478110    
 H   0.162545636       3.26403022       2.03548074    
 O  -0.478038788      0.897327244     -0.288103372    
 H  -0.310241193       1.04459345      0.658584177    
 H   0.186509997      0.284354180     -0.592160225    
 O   -4.91530275       5.64591599      -1.20609868    
 H   -5.52665377       5.52507544      -1.92839968    
 H   -4.65241861       4.75808239     -0.910897076    
 O    1.88204050       6.28313398       2.37978435    
 H    2.71509457       6.25729561       1.91611886    
 H    1.37853801       5.50089550       2.09745002    
 O   -2.08386850       6.27609205      -1.33255506    
 H   -3.03376627       6.13462973      -1.43120730    
 H   -1.69071686       5.39857101      -1.25404608    
 O    1.11879158       6.14512634       5.11384583    
 H    1.47503424       6.19719410       4.21896553    
 H   0.459208816       6.84575415       5.18374825    
 O   -1.96663725       5.46094322       2.64429498    
 H   -2.08336830       6.22997999       2.06795907    
 H   -2.19501042       5.73066044       3.54217196    
 O   0.647858262       3.83975291       6.42662334    
 H    1.12712777       3.88791323       7.24993896    
 H   0.855968416       4.65557814       5.93817377    
 O   -3.29350209      0.534819841      0.254138827    
 H   -2.38045049      0.514191151      -5.71412295E-02
 H   -3.64956284       1.38223267      -4.35324609E-02
 O  -0.321568519       1.52506101       2.39276218    
 H    7.46566802E-02   1.41609383       3.26986504    
 H   -1.27741134       1.47786713       2.53108549    
 O   -3.08693147       1.26255202       2.90100694    
 H   -3.51094341       2.13227296       2.86395454    
 H   -3.23945093      0.842690468       2.04265404    
 O   -3.90469766       3.30438137     -0.188225627    
 H   -2.95676684       3.44682932     -0.328296512    
 H   -4.07892466       3.45821667      0.751662195    
 O   -4.12103748       3.78338218       2.54518986    
 H   -3.30662727       4.31022501       2.51868105    
 H   -4.76904869       4.35109377       2.97530127    
 O   -2.98824310       6.24249220       5.11044025    
 H   -2.78572083       5.39799166       5.54675484    
 H   -3.87972379       6.19451046       4.74508858    
 O   -5.46166134       5.98306036       3.70704007    
 H   -5.31234026       6.42343664       2.84924555    
 H   -6.34753990       6.20579767       3.97916746    
 O   -2.48811412       1.06954110       5.56120062    
 H   -2.98044610      0.380333304       5.99982595    
 H   -2.75234699       1.04776728       4.62586784    
          69
 Energy    -248.85240070235858     
  O      0.99381167      4.24765059     15.03025987
  H      0.45243513      3.66125402     14.48599355
  H      2.53047486      0.05491634     16.73849881
  O     -1.67916986      1.63120213     11.10588536
  H      1.85611342      3.82345112     15.11310245
  H      0.47622868      5.09382595     18.70164468
  O     -2.19579760      4.29296495     16.85196561
  H     -1.68993718      1.90260992     10.19239412
  H      0.01785156      4.11868878     19.81897019
  O     -4.11143325      1.76712452     12.32192897
  H     -2.58932615      1.72775372     11.44028008
  H      1.86515603      3.39299570     18.70250419
  O     -1.66217117     -0.90988436     12.46724693
  H     -1.58195758      5.03717615     16.84868045
  H      2.30545653      1.88651719     18.47720581
  O      3.41527721      2.91630959     15.65812587
  H     -1.63343853      3.51162663     16.97993171
  H      0.08424178      0.78177266     14.06252561
  O      0.05488350      5.90330185     16.95462328
  H     -4.31152249      0.87318947     12.62638322
  H      1.18326964     -0.10879430     14.71702237
  O     -3.85967220      3.79900670     18.95969631
  H     -3.90134215      2.26585026     13.12423658
  H     -2.86755404     -0.00313569     16.20084754
  O     -0.14827093     -0.93719476     19.07083852
  H     -0.91240794     -0.82409636     13.07220393
  H     -4.03293388     -0.16974199     15.18866261
  O     -3.17143998      2.73494722     14.77611630
  H     -1.59805989     -0.15334347     11.87190425
  H     -1.61991313      1.97919781     20.43066297
  O     -4.18842021     -0.87717899     13.46165179
  H      4.30813544      3.24936459     15.69266573
  H     -2.27872171      3.25470466     19.85966344
  O      2.59140136      0.16926619     15.78366355
  H      3.07141192      2.93123987     16.57107859
  H     -2.71131949     -0.20494123     21.30522006
  O      0.78084620      4.59916003     19.47306097
  H      0.32452140      6.79473653     16.75100638
  H     -2.95829334      0.39809185     19.90184689
  O      2.26134937      2.76669920     18.08010085
  H      0.42488909      5.33335545     16.25449865
  H      2.95860549     -0.48910900     19.19294043
  O      0.33201966     -0.13342888     14.25640412
  H     -4.51379480      4.47535420     19.11494724
  H      1.45776051     -0.31017773     18.87860183
  O     -3.76703538      0.29584448     15.99106744
  H     -3.35535659      4.06753568     18.17303309
  H     -0.83209867      2.25942257     12.67994435
  O     -1.42668789      2.86521975     20.09656636
  H     -0.53202274     -0.90790520     18.18279145
  H     -1.49176528      2.52374583     14.04763046
  O     -2.27512297      0.22830687     20.57629896
  H     -0.83458616     -0.60775634     19.66206317
  H     -4.11781622      0.69384069     17.77561149
  O      2.34310691      0.05833531     18.71237283
  H     -3.40980530      1.92805299     15.25557166
  H     -4.16857314      1.90615866     18.74018289
  O     -0.63415258      2.43708723     13.60815731
  H     -2.97318780      3.41374041     15.43186783
  H      0.43156011      2.43578466     17.48795401
  O     -4.10302906      0.94460846     18.70855946
  H     -3.27630373     -0.96243031     13.12884991
  H     -0.78377628      2.34878718     18.44272630
  O     -0.50792146      2.22199527     17.52364344
  H     -4.65486171     -1.66078402     13.18343180
  H     -0.93828016      0.60886901     16.90841804
  O     -1.16071949     -0.27211659     16.56805626
  H      2.95188945      1.05340947     15.64186281
  H     -0.65406725     -0.37928560     15.75230171
          69
 Energy    -248.85219332380018     
  O     13.96447502     10.47896581    -11.77004200
  H     14.24040684     10.83337014    -12.62621118
  H     15.35228175      3.74013175    -14.88917269
  O     16.01973700      9.88640968    -17.52691346
  H     13.11130322     10.03318464    -11.88628844
  H     14.90000982      4.22441242     -8.82401318
  O     17.64010553     10.40043913    -13.29077901
  H     15.97845367     10.81720839    -17.27505960
  H     15.46711276      4.84706532    -10.12235818
  O     12.55053165      5.47637381    -13.52003651
  H     15.30322814      9.45292585    -17.04537136
  H     11.70296589      8.54096353    -13.02883224
  O     15.05028923      7.80247098     -8.85366999
  H     17.72808107     10.63774015    -12.36036445
  H     12.07616826      8.03318438    -11.62404890
  O     18.61878833     11.61717127    -15.63127468
  H     16.72442968     10.56726448    -13.55339527
  H     18.57675125      6.74064271    -13.01526668
  O     15.25764424      8.02489013    -12.16983719
  H     12.68428848      5.71068937    -12.59331763
  H     18.25503585      6.86519188    -11.51301251
  O     15.04747738     10.97384772    -14.26207729
  H     13.33228765      4.97607759    -13.78480482
  H     17.07720314     12.29978892    -16.11913035
  O     17.43783990      8.10275166    -10.38298858
  H     15.15407317      6.84422660     -8.76159944
  H     16.14376303     13.40179593    -16.67903347
  O     17.83447060     10.89619479    -10.51972068
  H     14.29849293      7.87985306     -9.44905067
  H     14.77383291      8.05183281    -15.40704798
  O     16.26616818      4.59581137    -11.61661075
  H     18.79167207     10.83498505    -16.16971788
  H     13.28405392      8.46812036    -15.48164140
  O     15.04842421      4.34048709    -14.21319803
  H     18.43242435     11.28168529    -14.74321534
  H     19.02378124      8.89975294    -17.90722508
  O     14.94268415      5.03590756     -9.32146406
  H     16.06642868      8.01820131    -11.64237679
  H     17.67494531      9.34098990    -17.29181929
  O     11.81629873      8.82368438    -12.11305158
  H     14.85286001      8.89676597    -12.07369944
  H     11.99525381      6.87775577    -14.39004911
  O     18.42793122      6.22332451    -12.21580126
  H     15.31847939     11.62312364    -14.92250871
  H     10.89682809      7.57952098    -15.22406540
  O     16.15316530     12.50862737    -16.34681477
  H     14.70828535     10.20878284    -14.74908113
  H     13.63164645      5.94680430    -10.38219985
  O     14.17715116      8.75199713    -15.71043111
  H     16.73117432      8.01076082     -9.73087454
  H     13.96525505      6.99931278    -11.46533793
  O     18.60433162      9.13637662    -17.08434926
  H     17.71054128      9.02875699    -10.37632481
  H     15.60635568      7.24770627    -13.71081722
  O     11.72580900      7.73051322    -14.77692583
  H     18.40754834     11.49033643    -10.04273158
  H     16.80461073      7.18995154    -14.67746053
  O     13.22969524      6.58365902    -10.98516542
  H     16.96339516     10.92989752    -10.08460732
  H     14.79996911     10.70887804    -10.17911982
  O     15.88572889      6.90932318    -14.57685743
  H     17.07030731      5.08727523    -11.84108607
  H     15.23751353      9.84344706     -8.97270673
  O     15.38286036     10.69131367     -9.40378542
  H     15.83904565      4.38131361    -12.45198463
  H     18.18837704      8.80647939    -14.01346009
  O     18.41519080      8.00367381    -14.50622337
  H     15.39702641      5.22060971    -14.43955584
  H     18.61111188      8.29112712    -15.40667743
          69
 Energy    -248.85182795730194     
  O     17.07663171     10.66444671    -11.40595828
  H     16.51715997     10.32456943    -12.11540381
  H     13.34016106      9.60076258    -10.17724099
  O     14.61274045      6.42605264     -6.60456193
  H     17.90643125     10.16478956    -11.43068614
  H     18.08302532      4.38552586    -12.67970831
  O     16.95045286     13.00989753    -10.02235937
  H     14.55550424      5.84927591     -5.84799103
  H     17.00882417      5.26354718    -11.99154861
  O     12.73406423      7.06840812     -8.66162450
  H     14.81377297      7.31673169     -6.26406303
  H     16.24506546      7.55052855     -8.97788840
  O     19.29917783      9.04950614    -11.38205331
  H     16.76492177     13.73889363    -10.60938120
  H     15.81554873      6.40181274     -8.03422286
  O     21.04146657     10.38384128     -9.65485359
  H     16.95440241     12.20593809    -10.56837933
  H     18.51311346      8.28768078    -12.93941294
  O     18.82389767      6.64822678    -10.01368017
  H     12.92451160      8.00978823     -8.77153805
  H     17.88440179      6.91227543    -13.22174575
  O     12.78469321      6.24924349    -11.25021675
  H     13.29481298      6.76762070     -7.93741963
  H     17.48802232     12.50226576     -6.50544921
  O     16.00510660     12.78792130     -7.33003104
  H     19.98977149      9.52028709    -10.89939911
  H     18.48292442     12.69457353     -5.33116351
  O     13.30435175      8.99428395    -11.86847618
  H     19.11244458      8.24282312    -10.87961401
  H     15.49241066      9.69183977    -14.34758108
  O     13.72507979     11.13202018     -6.93166293
  H     20.50037541     11.13195673     -9.34446902
  H     16.40275830      8.75814838    -13.52064993
  O     13.53673143      9.72404026     -9.23763105
  H     21.94321666     10.69095463     -9.68914699
  H     16.79461290      9.53304691     -8.34419833
  O     17.92118342      5.26012834    -12.33772396
  H     18.69919174      6.08912610    -10.78999293
  H     16.57039772      9.78879967     -9.88053225
  O     16.32896293      6.59684699     -8.82596563
  H     18.00021859      6.57603522     -9.50829815
  H     18.67123102     12.68402441     -9.23996730
  O     17.88115633      7.83336284    -13.51150710
  H     11.98207402      5.78094301    -11.46376340
  H     19.22022437     12.38558674     -7.83587903
  O     18.36853788     12.25223788     -6.16722206
  H     12.73311471      6.47071529    -10.30251762
  H     14.72312313      9.69099332     -6.09357768
  O     15.66021791      9.38526310    -13.45972660
  H     16.18295221     12.85569225     -8.27636414
  H     16.16015132      9.12225500     -6.05115062
  O     16.23381600      9.32638657     -9.10470303
  H     15.20793665     12.25547926     -7.22216434
  H     15.72288464      5.77242185    -10.34266148
  O     19.46119158     12.39172623     -8.77099543
  H     14.09152961      9.07227742    -12.41996427
  H     14.56438017      5.63205392    -11.34531804
  O     15.24294377      8.93114262     -5.80902698
  H     13.12246613      8.04922108    -11.78811108
  H     20.40682879      8.99234542     -8.48488516
  O     15.49105555      5.40800402    -11.20868507
  H     12.88319436     11.41694146     -6.58503101
  H     19.69060254      7.63257131     -8.59687741
  O     19.93116326      8.32761872     -7.97187432
  H     13.54198301     10.68242236     -7.77502454
  H     18.05967786     10.45501369     -6.53239060
  O     17.77455306      9.57983236     -6.81958966
  H     14.49058060      9.57044609     -9.14701523
  H     18.55571850      9.09688335     -7.12789246
          69
 Energy    -248.85180769365419     
  O     15.06546237      9.21281290    -11.09922506
  H     15.91304292      8.87186404    -10.77735209
  H     14.18846344      7.74755508     -8.89270193
  O     19.55302187      4.56542660     -9.71787916
  H     14.50895025      9.27847566    -10.31237471
  H     12.08643863      7.91302420     -9.60774010
  O     16.34567112      4.29361946    -12.13828807
  H     19.24296261      5.13048304    -10.44555207
  H     11.39024531      6.56134657     -9.86010439
  O     13.85366530      4.97950592    -11.20877172
  H     20.33648546      4.11980960    -10.03143928
  H     15.37341547      7.74468053     -5.91649749
  O     18.18084867      7.28824557    -14.17757572
  H     17.04087036      4.91110050    -11.87562435
  H     16.57834882      6.80931024     -5.63411327
  O     17.00505125      3.21815020     -9.53950566
  H     16.19909845      4.47419132    -13.07881290
  H     13.87902196      8.06269848    -11.92383891
  O     16.09198643      8.97803620    -13.78214462
  H     13.62991941      5.78814512    -11.69070375
  H     12.45089340      7.50887486    -11.66734212
  O     18.33953000      8.60006174     -7.47763472
  H     14.68193930      4.63957274    -11.57513890
  H     18.46748541      6.51695961    -12.52937550
  O     15.55868644      4.20448502     -7.40682287
  H     18.78268738      7.66701478    -14.81273704
  H     18.06892187      6.85460465    -11.06501562
  O     17.26086910      7.95159131     -9.95042562
  H     17.48587353      7.95237224    -14.01969350
  H     16.85883511      5.92506806    -14.63320551
  O     15.24881173      6.30712909     -9.19286814
  H     16.69824299      3.36711433    -10.44177323
  H     15.33597136      5.92951148    -14.81854437
  O     13.63734119      8.52883064     -8.72818922
  H     17.90335784      3.56923229     -9.51577069
  H     12.91212697      7.94458842     -5.27947725
  O     11.45388734      7.46633083    -10.18792278
  H     15.74663266      9.24226001    -12.92144313
  H     13.27636645      6.83802330     -6.29623453
  O     16.33667456      7.70317309     -5.90641102
  H     15.36842732      8.53239663    -14.24173796
  H     11.22768582      3.95603648     -9.60045897
  O     13.20155796      7.47062858    -12.27889828
  H     18.74026378      9.37040800     -7.08451879
  H     12.51133644      4.68413306    -10.05320513
  O     18.43557704      6.15991779    -11.63355850
  H     17.58815802      8.35120512     -6.90777993
  H     17.76859017      4.67449770     -4.69677243
  O     16.08898897      5.34422306    -14.67190694
  H     16.03775827      3.74321832     -8.11197975
  H     18.11361336      5.31173286     -6.06636151
  O     13.48912643      7.74571107     -6.01186904
  H     16.18705864      4.40100301     -6.70087001
  H     12.51216365      5.05053180     -7.68956958
  O     11.77983533      4.71171118     -9.41385907
  H     17.69283395      8.28840816     -9.15620973
  H     13.84095774      4.73778676     -6.97868437
  O     17.38007849      5.07533862     -5.46923740
  H     16.58154168      7.32358806     -9.65168619
  H     19.08698696      6.82422873     -7.39359229
  O     13.00780182      5.21964109     -6.87971096
  H     15.38887092      5.66204244     -8.48858258
  H     19.39857302      5.46449812     -8.07759312
  O     19.26108776      5.89072542     -7.22284822
  H     14.78560105      5.84443664     -9.90204505
  H     13.60480999      7.34693363    -13.98275989
  O     14.01452601      7.33343956    -14.86516988
  H     13.49860867      8.52246644     -7.77464220
  H     13.31634976      7.49369484    -15.49477908
          69
 Energy    -248.85153142451139     
  O     16.85214397     11.46145465    -17.38190144
  H     16.71121515     10.54859763    -17.65738557
  H     16.70368635      5.39663564    -13.24550879
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  H     15.26385942      6.77026983    -14.29045859
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  H     15.81867893      5.86505617    -15.42328928
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  H     17.33875054      8.70107468    -15.96810619
  O     16.06797791      9.62188337     -9.45878778
  H     17.49161505     12.71658717    -11.35019443
  H     14.69361106     11.88808541    -14.82540068
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  H     20.35670071      9.21601612    -12.88864068
  H     13.99888925     12.83896915    -15.82534353
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  H     16.21195211      8.11508434    -12.21441575
  O     19.22722062      6.67810951    -14.19159223
  H     15.62178410      8.82677405    -17.27872787
  H     17.04889055      6.92656335    -11.69659786
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  H     14.12869200     10.25553074    -16.26778655
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  H     16.92066271      9.98618995     -9.19029304
  H     18.16298620     11.72492705     -9.51860053
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  H     16.14684178      8.72297307    -14.20737688
  H     19.11860668     11.25418003     -8.39456104
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  H     18.32059846      8.95821451    -11.58814921
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  H     19.02687327     10.02013083    -10.70695028
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  H     18.25252651     11.02309388    -12.48619770
  H     15.05938756     10.91654362    -10.04985947
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  H     18.66416869      7.41510656    -14.47586419
  H     13.85733157     11.86907500     -9.84565209
  O     18.58852921     10.94307136     -9.12306680
  H     18.70502854      6.14669923    -13.58048363
  H     18.66918804      8.67340114    -18.06592847
  O     19.01080087      9.63557131    -11.59271383
  H     19.29573450      5.96402247    -15.92215024
  H     20.02795178      8.90862925    -17.36408553
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  H     16.07374461     11.52637752    -13.11150038
  O     19.55468548      8.31649169    -17.96277785
  H     16.18533333      5.11332781    -17.81164624
  H     14.78696368     11.52987754    -12.24737683
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  H     18.19001618     11.54317153    -16.20202289
  O     18.78255958     11.43099794    -15.44374562
  H     17.33647812      4.38720572    -12.25321964
  H     19.62462342     11.07830818    -15.75697009
          69
 Energy    -248.85152315526727     
  O     15.87034896     12.03362087    -15.09014446
  H     16.72391570     12.11040609    -14.64685129
  H     17.23731155      5.53504840    -14.63592179
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  H     14.81919911      8.52113273    -18.56414707
          69
 Energy    -248.85133688003907     
  O      0.56669725      0.02777498      5.30073806
  H     -0.37669866     -0.20710068      5.29742974
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  H     -4.69556091      1.35011555      4.44743743
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  H     -5.04530082      1.29156980      5.95261683
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  H     -1.90543009      1.37084264      3.15047429
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  H     -0.98594652      1.43746095      1.92672606
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  H     -1.56826676     -2.25157745      2.95434915
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  H      4.43326567     -0.61985772     -1.42786531
  H     -1.16171392     -0.83858083      2.45757531
  O      1.67839438      0.42917852      0.61263591
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  H     -4.03146299     -1.44603042      0.97938180
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  H     -4.79496748      2.67391354      2.63046707
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  O     -3.86681723      0.38551558      0.77411683
  H     -2.22975663      2.98772790     -0.37660720
  H     -3.10164192      0.55820882      1.34474181
          69
 Energy    -248.85132693349394     
  O     15.93487166      3.92673482    -14.69334301
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  H     11.48601607      5.63673209    -12.77048719
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  H     13.68339689      6.74378106     -7.56002783
  H     17.19550661     10.03879228    -12.49523609
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  H     17.19737128      7.22947234    -16.10094156
  H     16.15937062      9.50107631    -13.51744250
  O     12.10651010      5.65322616    -13.50908467
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  H     15.42274618      5.59694114    -11.97849067
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  H      9.68417726      5.70015132    -10.91729666
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  H     10.86314960      6.69200237    -10.77410606
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  H     14.72850900      7.95879939     -9.58516502
  O     15.18511320      8.39728610    -10.31531033
  H     13.52631408      4.74300987    -12.82356830
  H     14.51590790      8.88714115    -10.81261501
          69
 Energy    -248.85130801651837     
  O     15.90666145      9.85708770    -14.97095563
  H     16.70226112      9.40186516    -15.27385769
  H     16.68559450      4.36339990    -18.45197962
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  H     15.87236011     10.67258205    -15.46880757
  H     20.23208758      5.01074376    -16.14091273
  O     17.81206372      4.62593815    -11.77249687
  H     14.58373659      3.91088754    -17.33981015
  H     21.22990251      3.89226339    -15.74997527
  O     19.72171280      6.24769445    -17.24648584
  H     13.06300466      3.62608676    -17.42959284
  H     17.69283174      7.46913815    -15.73680403
  O     17.75397007      5.72986345    -19.24618364
  H     17.39609729      3.95982126    -12.33764267
  H     18.67313541      8.44188715    -15.04005558
  O     13.58932101      5.01816070    -10.22484980
  H     17.42042840      5.47632213    -12.01996913
  H     15.93601944      6.21821725    -15.89010208
  O     14.08823626      3.99541497    -14.12360824
  H     19.37145015      7.05793946    -16.86109165
  H     17.04780449      5.17155802    -15.51636772
  O     16.76952496      7.00500182    -12.77398500
  H     19.11804254      6.00794768    -17.96152049
  H     13.64653702      7.65413370    -13.97015466
  O     17.74608204      3.45991361    -15.66343650
  H     17.30991385      6.55914133    -18.99415690
  H     14.35962573      8.81586576    -14.71403647
  O     13.06724222      2.70287089    -11.84053629
  H     17.90994407      5.77739494    -20.18610935
  H     14.44595090      1.70324581    -11.41558129
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  H     15.13913673      0.39940363    -10.94876671
  O     16.19386763      3.71243817    -17.93781833
  H     13.21751951      5.30366495     -9.39460371
  H     14.08325254      7.30011192    -16.19813416
  O     20.41630399      4.31352328    -15.48541058
  H     14.05567929      4.88205461    -13.73733069
  H     14.07574731      5.94785354    -16.99604636
  O     18.18368497      8.29955059    -15.86217608
  H     13.89867351      4.05927682    -15.06636114
  H     19.41184549      5.26450783    -12.54364130
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  H     17.49095773      7.64169731    -12.79318195
  H     20.24053938      5.23727987    -13.85019692
  O     13.61925064      8.19548579    -14.76891904
  H     16.71543888      6.63882074    -13.67275020
  H     16.17510703      2.11429210    -12.67337113
  O     15.30935610      1.29938014    -11.21194282
  H     17.39481903      3.07087483    -14.85029597
  H     15.62819616      3.19079658    -13.64351693
  O     14.52390009      6.79544311    -16.90073128
  H     18.69049490      3.61894009    -15.54694874
  H     16.69747955      4.09023136    -10.33858603
  O     20.05882670      5.76176756    -13.06151641
  H     13.06232157      3.46239777    -11.24458985
  H     15.82132404      2.83876262    -10.15135400
  O     16.43997647      2.74866382    -13.34973828
  H     13.26541996      3.06599480    -12.71485762
  H     15.78603766      7.66604043    -17.88256854
  O     15.95722038      3.73777120     -9.82751696
  H     19.81173116      8.89955934    -12.74967265
  H     17.14730547      8.33930581    -17.59110388
  O     16.59724858      7.99364128    -18.30154509
  H     19.62427085      7.43124168    -13.20546560
  H     14.99868773      6.68510534    -12.56721061
  O     14.08292841      6.37971139    -12.64451164
  H     16.77240245      3.46854495    -17.20116882
  H     13.83941807      6.00422423    -11.78940290
          69
 Energy    -248.85107478786804     
  O     12.39726713     10.18454912    -14.93189841
  H     13.11674846     10.80274180    -15.10140351
  H     19.02515109      8.10919379    -14.56178092
  O     15.99989739      5.86227191    -12.66783892
  H     12.65371822      9.35537743    -15.36067638
  H     16.75163510      9.56801085    -16.77584000
  O     17.39838131     10.36062320    -10.95711748
  H     16.93270650      5.87767662    -12.41643287
  H     15.53864239      9.35823057    -17.67551425
  O     12.48838355      5.32353324    -14.89614717
  H     15.47729688      6.19807257    -11.92630185
  H     15.66473298      7.33089804    -13.65732533
  O     15.46578708     10.15742406     -8.96884129
  H     16.82697432     10.50478519    -11.72430019
  H     14.74915463      7.98832058    -14.74517676
  O     14.35995112      7.04270763    -10.75469066
  H     16.82468982     10.41971188    -10.17990984
  H     11.68740137      9.68643958    -13.44141796
  O     15.57146948     10.58696971    -13.05078001
  H     11.74686283      4.73693841    -15.01549364
  H     10.46935824      9.68708399    -12.48559840
  O     16.67648685      5.81001945    -17.19818287
  H     12.38172750      5.73441100    -14.01769998
  H     18.28915818      7.16490478    -10.65440808
  O     15.82111196      7.32783281     -8.38439950
  H     14.73757057     10.11486931     -9.60418207
  H     17.83585235      8.61850534    -10.37307149
  O     17.69024991      8.17249217    -15.88892171
  H     15.53600376      9.26803608     -8.60297033
  H     12.89958470      6.61126131    -11.86472052
  O     15.27681681      4.79077167    -15.12927943
  H     14.18229162      7.97976145    -10.92227880
  H     11.84808443      7.49698371    -12.56642384
  O     19.54440283      7.95324273    -13.76421995
  H     14.76441133      7.00592971     -9.87912118
  H     20.44900688     10.87750762    -11.94052219
  O     16.00866869     10.03654395    -17.17940313
  H     15.59264080      9.68930406    -13.41987766
  H     18.98835289     10.42513524    -11.80964389
  O     15.52567231      8.12554745    -14.18860629
  H     15.33802720     11.16289968    -13.78639988
  H     19.05441234      6.71447177    -12.71141652
  O     11.34684565      9.33260017    -12.59968464
  H     17.23725814      5.11802998    -17.53839982
  H     19.40832076      5.37762177    -12.01469848
  O     17.95232786      7.74976180     -9.96674233
  H     16.18247460      5.42640614    -16.45007102
  H     13.75783162      7.68308054    -16.80035718
  O     12.21849227      6.60590762    -12.54902693
  H     16.64069784      7.43155323     -8.90420461
  H     12.97640507      6.91266885    -15.68533155
  O     19.78263070     10.33924045    -12.36016624
  H     16.06718918      6.92019892     -7.55923542
  H     14.30854274     10.12303944    -11.81957043
  O     18.72611994      6.03877974    -12.08912865
  H     17.54225565      7.35939895    -16.38436662
  H     12.84511150      9.68133841    -11.55444812
  O     13.33569821      7.77313790    -15.93736176
  H     16.96716972      8.20766447    -15.24179571
  H     14.80492431     12.64595739    -15.83472906
  O     13.72000967      9.74067668    -11.15321069
  H     14.31473124      4.84930976    -15.09734258
  H     15.19350085     11.17667946    -16.10901304
  O     14.73405625     11.76268381    -15.48229054
  H     15.57818409      5.03251649    -14.24210835
  H     14.66971365      7.38575959    -19.20322794
  O     14.85344512      7.59634659    -18.29101383
  H     19.68049467      8.81085495    -13.33644880
  H     15.51343366      6.95473069    -17.98129196
          69
 Energy    -248.85068152705298     
  O     19.91560274     10.74548175    -10.43810511
  H     19.55568159     10.56543073     -9.56040015
  H     18.87669285     11.11081448    -11.91808806
  O     19.53005913      4.50114203    -11.14190669
  H     20.86725819     10.88941088    -10.35376168
  H     22.83133792      9.97023316     -9.90708194
  O     20.61879312      5.35324411    -13.72182503
  H     19.84099674      4.73908007    -12.02140208
  H     23.36985099     11.41164394    -10.07978465
  O     22.87293657      8.46697145     -9.06796274
  H     18.71263753      4.99456585    -10.99276433
  H     19.31473453      7.81082284    -12.97347323
  O     17.14759091      6.00236295    -10.68940272
  H     20.07130639      6.12734848    -13.93513972
  H     19.48431082      8.48131037    -14.35250113
  O     22.39039529      7.07829211    -12.35283783
  H     20.59456419      4.77860231    -14.48285478
  H     20.72598562      4.72848510     -9.81611027
  O     20.24459156      7.56092648     -8.56340364
  H     23.30366207      7.66372784     -9.38221807
  H     20.93076992      5.78261288     -8.71081627
  O     14.18348803      7.81266168     -9.12391605
  H     21.99792937      8.18980228     -8.76502608
  H     13.59795319      7.44004577    -12.35257789
  O     23.66135143      5.94357068    -10.14090679
  H     17.18914615      6.84719812    -10.22379534
  H     14.74368566      6.66833060    -13.03631987
  O     19.95474064      8.06562290    -11.31051211
  H     16.28960007      5.61154555    -10.47646135
  H     16.30885809      8.71556101    -12.58569707
  O     18.65201207      9.84482394     -8.06575347
  H     21.93166539      6.38550455    -12.84454514
  H     16.87438803     10.15833833    -12.37933164
  O     18.33772838     11.07963492    -12.72076190
  H     22.89867005      6.65305054    -11.64991800
  H     16.81386941      6.59048160    -12.38862940
  O     22.71116093     10.80209390    -10.40095551
  H     19.72563639      8.27638936     -8.18007341
  H     17.41978000      7.19961285    -13.67585263
  O     19.16920381      7.67637643    -13.92453278
  H     20.05447565      7.58198768     -9.51350760
  H     22.53307256      8.83046686    -12.90695593
  O     21.35131689      5.02623466     -9.13785518
  H     13.80268608      8.30065849     -9.86582249
  H     22.57235204     10.21068161    -12.22244991
  O     13.87546627      6.55624936    -12.62452887
  H     14.18267047      6.88467079     -9.39090800
  H     15.88349880      8.34845669     -9.24937558
  O     16.16663134      9.55062667    -12.11935429
  H     22.86237639      5.53434202     -9.75733046
  H     16.64198505      9.01624678    -10.42490333
  O     16.58392051      7.01454549    -13.22941958
  H     24.38911647      5.35757764     -9.95594253
  H     14.42144332      9.44449089    -11.76941616
  O     22.40751871      9.77646927    -13.06703632
  H     20.85021837      7.80049113    -11.56593418
  H     12.95756211      9.93968388    -11.78015925
  O     16.76442787      8.61181168     -9.55529318
  H     19.96753606      9.01122744    -11.10890769
  H     20.51239238     10.61413965    -15.45291530
  O     13.50637431      9.19268637    -11.55605560
  H     18.26074968     10.25013142     -7.29679674
  H     21.04810935     10.06270290    -14.11042563
  O     20.24990519     10.15023997    -14.66262298
  H     17.92935150      9.41049190     -8.55524993
  H     14.17778741      5.61141005    -11.17345293
  O     14.45734402      5.22109390    -10.32574735
  H     18.94207187     10.84939455    -13.43535367
  H     14.00659200      4.38535242    -10.24218683
          69
 Energy    -248.85001168479994     
  O     16.84025902      7.01893541    -13.88215855
  H     17.63213227      7.25632788    -13.38172359
  H     12.58092118     12.70162126    -14.05674578
  O     12.73532308     10.96757496    -11.01801902
  H     16.98738602      7.22576841    -14.81776598
  H     18.06222355      8.27309324     -9.17482105
  O     17.09531760      7.95186848    -16.43218569
  H     12.25372557     10.14141369    -11.15058325
  H     18.54312988      6.81316952     -9.33051318
  O     14.72415514      5.81874898    -12.55834531
  H     12.80392794     11.39331043    -11.88135016
  H     15.33195445      9.62395642    -11.61415316
  O     18.90041680      7.89776863    -12.23245694
  H     16.28601306      8.37793357    -16.73721330
  H     14.37424132     10.32453345    -10.62268371
  O     19.59832707     10.10840672    -13.80190678
  H     17.78097258      8.63010860    -16.48083461
  H     19.76374028      4.87354030    -10.63051137
  O     17.89129897      9.74944404    -10.37261614
  H     14.55088410      6.37642170    -11.78696580
  H     18.25480357      5.18251059    -10.78193740
  O     11.69338993      8.25774731    -11.17549544
  H     15.46607597      6.20782799    -13.04728491
  H     16.04085461     11.07478052    -13.53485228
  O     14.84709609      9.61199199    -17.21025971
  H     19.11515507      7.08432358    -11.75863400
  H     15.15079536     12.32053601    -13.53067912
  O     12.57903699      7.33840925    -13.73353798
  H     18.52108590      8.50650170    -11.58226570
  H     16.23397554      4.93053397     -9.92328739
  O     13.27871527      9.67604317    -14.90826073
  H     19.48316306      9.28157850    -13.31466990
  H     15.95966994      4.83365620    -11.43807737
  O     13.18909944     12.10084836    -13.63279172
  H     19.28072825     10.80902041    -13.22114748
  H     14.75409363      9.40778120    -13.85650891
  O     18.03032522      7.40132583     -8.76160707
  H     18.16611627     10.56547899    -10.80578412
  H     16.03973445      8.57773632    -13.56168067
  O     15.17922000      9.79024975    -10.67016007
  H     16.92222806      9.78282356    -10.34863466
  H     19.22229441     10.12108412    -15.47882827
  O     19.13612467      5.58818930    -10.69228454
  H     10.93731694      7.94263279    -10.68565933
  H     19.74984224     10.20413780    -16.93026567
  O     16.07232650     12.04475002    -13.59077003
  H     12.47829273      7.86295554    -10.75829650
  H     17.40744814     11.16841195    -16.42949216
  O     16.60404852      4.61056588    -10.75524177
  H     14.63846336      9.71547519    -18.13509619
  H     16.41759518     11.87331267    -15.47533045
  O     15.56963512      9.39010060    -13.33954967
  H     15.41404990     10.36483391    -16.96123606
  H     14.52578512      8.18046744    -10.29644458
  O     18.95196965     10.12422085    -16.41472446
  H     13.25164967      6.69646115    -13.47454744
  H     14.55073369      6.83802848     -9.51521100
  O     16.53024486     11.57295083    -16.38467915
  H     12.15569832      7.62312719    -12.91373598
  H     18.68638538     12.90237412    -11.83720444
  O     14.09197985      7.31765573    -10.21505963
  H     12.94872458      8.81328844    -14.61086483
  H     17.55291505     12.14276936    -12.56043222
  O     18.37188873     12.02708938    -12.05081745
  H     13.71694748      9.57128179    -15.76276331
  H     16.54119400      6.54360072     -8.44964496
  O     15.73581184      5.99852950     -8.38920083
  H     13.14665043     11.26602414    -14.13105841
  H     15.67093162      5.70175492     -7.48572255
          69
 Energy    -248.84980195088013     
  O     -6.30170017      3.23034981     -1.94084392
  H     -6.23377116      3.06065499     -0.99080152
  H     -3.65391570     -0.31669240      2.50458729
  O     -2.30638055      3.19224245     -4.05026790
  H     -6.41344011      2.36034719     -2.33958042
  H     -0.59665700      2.65672038      1.46882347
  O     -5.69947770      2.43205113      0.66580272
  H     -2.31324487      3.58646617     -4.91770446
  H      0.74079560      2.30904796      2.18563721
  O     -2.63189962     -0.91362164      1.13737032
  H     -2.88145506      3.74180018     -3.48343487
  H     -1.82171120      4.21192654      0.04177789
  O      0.19467788      0.01679139     -1.53732898
  H     -4.87462063      2.07013904      0.30507672
  H     -0.88345685      3.25159300     -0.77758741
  O     -3.53510738      0.90672743     -2.98657939
  H     -6.15790930      1.69337298      1.08210242
  H      2.45526013      2.17725296      0.74274186
  O     -3.66862069     -2.69565829     -0.73329954
  H     -2.90018010     -1.61750829      0.53279718
  H      3.30895080      2.68891235      1.91548399
  O     -1.93141969     -1.36747339     -2.59159688
  H     -1.66876955     -0.90892915      1.19894398
  H     -5.27730835      0.61984486     -3.03836288
  O     -0.15535903      2.71045165     -2.29662373
  H     -0.47669316     -0.53567820     -1.96416369
  H     -6.58422994      0.19827314     -3.74928479
  O      0.08937215     -0.40807492      1.28815911
  H      0.12396088     -0.15410761     -0.59108716
  H     -1.69703428      2.32101618      3.25081057
  O     -6.59853903      0.04535266      1.83370774
  H     -3.12571791      1.64000599     -3.46099932
  H     -2.34123959      2.66716695      4.60753414
  O     -4.22564566      0.15857071      3.12531859
  H     -3.45817519      1.10520149     -2.03955207
  H     -6.12775141     -0.59893738     -1.37091541
  O     -0.21814334      2.17885254      2.22479752
  H     -4.50416890     -2.19275960     -0.73492054
  H     -6.20243168     -0.78709817      0.16972525
  O     -1.33211570      3.38098472      0.07066074
  H     -3.90355504     -3.61932134     -0.71973634
  H     -3.05453919      0.62484044      0.20805848
  O      2.46157282      2.30530297      1.70657298
  H     -2.48320507     -1.91687760     -2.02325289
  H     -2.61650518      2.09184717     -0.13089541
  O     -6.23583253      0.50523212     -2.91573484
  H     -2.49682463     -0.63215206     -2.86491736
  H     -2.97269361      6.52263919      0.29535333
  O     -2.54754378      2.43136005      3.70536484
  H     -0.81145669      2.86555006     -2.98655105
  H     -3.48178719      5.17414962      0.86026872
  O     -5.91149397     -1.20306608     -0.65045293
  H     -0.11423582      1.75475893     -2.13714495
  H     -3.68053272      4.97177372     -1.59113849
  O     -3.29300780      1.41978158     -0.28565362
  H     -0.02779616      0.48523286      1.65056718
  H     -4.79043016      4.15017652     -2.30001457
  O     -3.02894703      5.59055860      0.10418073
  H      0.89559093     -0.75002756      1.66765819
  H     -3.63595267      3.66161089      2.69258589
  O     -3.92257983      4.56189463     -2.42776618
  H     -7.30847680     -0.17957888      2.42864345
  H     -4.82094703      3.65346816      1.70125728
  O     -4.17358735      4.23104844      2.13126417
  H     -5.78109299      0.06702946      2.36437063
  H      1.71591304      2.53339906     -1.48234419
  O      2.26971904      1.89906311     -1.01226013
  H     -3.72987180      0.94333174      3.38326570
  H      1.84597846      1.05495190     -1.21463790
          69
 Energy    -248.84941574894043     
  O     19.02508785      8.53815649    -14.21984514
  H     18.96120223      9.01493893    -13.38391905
  H     14.18503977      4.51832566    -14.24056621
  O     14.44250426      4.72245463    -16.08605998
  H     18.94009140      7.59902766    -14.01261950
  H     13.01375559      9.06016434    -11.49096389
  O     12.83456036      8.89989941    -13.27239772
  H     13.86143850      5.49975223    -16.17378228
  H     13.75937189      9.87899964    -10.40903531
  O     11.67595109      7.10959659     -9.30898304
  H     14.18945308      4.11445875    -16.77636843
  H     15.89831994      8.31199428    -14.44872964
  O     12.71418016      6.81877356    -16.10185863
  H     12.59858662      9.31857321    -14.10854842
  H     15.75982321      7.45106327    -13.15353099
  O     17.01189242      5.93626295    -16.29767847
  H     13.75704976      8.61495697    -13.38545975
  H     19.02440939      5.05253802    -13.48555955
  O     14.99107653     11.27916000    -10.45231429
  H     12.14552300      7.87759360     -9.66159736
  H     17.68496384      5.75569168    -13.17067929
  O     13.77118971      5.24976494     -8.64403624
  H     12.34958241      6.53850502     -8.91996152
  H     12.21055812     10.26086156    -16.53900214
  O     16.89860553      8.64996868    -15.94837590
  H     12.78042856      7.77869786    -16.15026195
  H     13.60865009     10.15113501    -15.89173647
  O     10.43568151      5.55038764    -11.14408237
  H     12.21942606      6.62668298    -15.29358394
  H     15.50831369     11.10932151    -14.81188636
  O     12.80961324      3.95421637    -10.82597425
  H     16.17480818      5.46546349    -16.20580318
  H     15.83552252     10.13115489    -15.95055269
  O     13.94836935      4.67601075    -13.31824427
  H     17.52394105      5.75731212    -15.49975803
  H     11.18350264      6.11469634    -12.73796304
  O     13.27127993      9.05995190    -10.55767779
  H     14.87883565     12.20617237    -10.25881410
  H     12.04618052      7.27814831    -13.31519571
  O     15.44979085      8.24943998    -13.59407780
  H     15.34739535     11.22030153    -11.35567172
  H     17.09403779     10.77651163    -12.66947720
  O     18.44331478      5.75018536    -13.77851451
  H     13.47574339      4.71644236     -9.40417050
  H     15.87943725      9.93892285    -13.09861860
  O     12.72995476      9.73390721    -15.93773739
  H     13.88089729      4.65061944     -7.91096096
  H     15.41599210      5.41540651    -12.58882036
  O     15.21004296     10.82179191    -15.68101935
  H     16.89691629      7.73811881    -16.27250083
  H     15.93599875      6.29939224    -11.40799058
  O     11.74760596      6.37134723    -13.47725525
  H     17.71440043      8.74993190    -15.43347341
  H     18.18423585      9.78037212    -11.10481014
  O     16.15939469     10.84635720    -12.90225074
  H      9.52931473      5.38405613    -10.90032979
  H     19.44471031     10.58229818    -11.50120803
  O     16.18068667      5.90863357    -12.25789323
  H     10.80397324      6.15189609    -10.47189302
  H     16.57438721      8.53244098     -9.77819404
  O     18.69255145     10.11974730    -11.86202112
  H     13.26541036      4.01917189    -11.67474424
  H     16.38811287     10.05716943     -9.84247626
  O     17.06086969      9.36597002     -9.81408564
  H     11.93730193      4.34493463    -10.96270716
  H     14.86646901      6.50784428     -9.42027250
  O     15.28113836      7.17803148     -9.97833207
  H     13.19009755      5.27880973    -13.34387926
  H     14.58425807      7.80397287    -10.22167875
          69
 Energy    -248.84931131678582     
  O     17.69227398      9.97419937    -11.44489336
  H     17.18655530      9.69289283    -10.66589842
  H     16.63175743      4.78098731    -13.07317942
  O     14.08426691      6.45686783     -7.07355718
  H     18.29490389      9.24499889    -11.64917688
  H     15.04369041      6.33362090     -8.65243763
  O     12.19739165      8.15649317     -8.39054747
  H     13.89277285      5.78503243     -6.42457572
  H     14.98624786      6.66599058    -10.18362485
  O     15.35316534      9.45184538    -12.84848211
  H     14.55683734      7.16985997     -6.60754457
  H     18.97331050      7.20791223    -13.41341521
  O     19.41330711      7.79508804    -11.71672976
  H     12.71051102      7.48428337     -7.93010376
  H     18.30316184      5.88649634    -13.81030851
  O     21.12708115      8.69370837     -9.66628725
  H     12.74360719      8.95751009     -8.36632927
  H     18.19971113      9.73053255     -6.81257894
  O     18.05549408      5.74670102    -10.39814550
  H     15.59086784      9.00854767    -13.67247466
  H     17.36969540      9.92910832     -8.09142068
  O     11.61286612      8.40495326    -11.01006477
  H     16.18428222      9.73157328    -12.43941080
  H     17.09550703      7.53863714    -14.76366635
  O     15.47157270     11.37060799     -6.50175782
  H     20.13043363      8.06450026    -11.13126892
  H     16.27901078      8.05885742    -15.96967846
  O     13.33905133     10.73903510    -11.25603356
  H     18.92514772      7.09906014    -11.25158424
  H     16.16812122      8.15120161     -9.26585526
  O     13.89161023     10.32028071     -8.60859025
  H     22.06006893      8.88549527     -9.63129277
  H     15.43065410      9.49603995     -9.06113378
  O     17.50126858      4.41717270    -12.82564034
  H     20.66058027      9.54700128     -9.61188063
  H     18.99769106     10.84323892    -10.30453656
  O     15.57630304      6.43203292     -9.45081474
  H     17.93088219      5.18034050    -11.16993719
  H     19.10499934     10.93254041     -8.76898385
  O     18.53553988      6.75936439    -14.14976205
  H     17.17132551      5.92214593    -10.04235109
  H     15.36306668      9.38410962     -6.00621814
  O     17.88636097     10.40978950     -7.42252577
  H     10.68841312      8.27261785    -11.19927673
  H     16.44334342      8.28786977     -5.87252732
  O     16.22444812      7.88079328    -15.03457787
  H     11.72718543      8.27455962    -10.05065163
  H     14.56337116      8.03673141    -11.98903110
  O     16.29734465      9.10654864     -9.24045579
  H     15.51990550     12.09983084     -5.88873460
  H     13.18749334      7.56171123    -11.45689237
  O     19.62808069     10.95576782     -9.58105946
  H     16.38116760     11.18974234     -6.79077722
  H     18.98017136      6.41860983     -8.88241620
  O     15.48941129      8.44110576     -5.86148820
  H     12.65838453     10.05419075    -11.27061727
  H     20.03923734      7.51645509     -8.64477107
  O     14.09599601      7.27653750    -11.61280102
  H     14.00996439     10.44961461    -11.88739964
  H     18.68219539      7.60927596     -6.75818779
  O     19.38936101      6.96055802     -8.19692139
  H     13.73525410     10.71234061     -9.48184002
  H     18.85029455      7.75779912     -5.22929441
  O     18.32881206      8.05824506     -5.96867494
  H     14.28490430     10.95435675     -8.00066885
  H     15.43624884      6.32611915    -14.20067557
  O     15.19324122      5.62522043    -13.58327565
  H     17.50650303      3.50546137    -13.10433325
  H     14.70144946      6.06805447    -12.87867276
          69
 Energy    -248.84929812896365     
  O     11.58553020     12.14261522    -13.28459082
  H     11.35758357     11.50228846    -13.98414454
  H     19.26943659     12.67082342    -15.69308348
  O     18.86478982     10.60664215    -12.91938516
  H     10.82178361     12.70030534    -13.16308408
  H     13.14055522     10.77937478    -17.51899253
  O     15.41976108     10.26173883    -11.78428922
  H     18.86449853     11.02422081    -13.78854780
  H     11.97113145     10.24185684    -18.37423725
  O     11.06970497     10.22407173    -15.11472271
  H     18.39468973     11.21443693    -12.33564746
  H     15.75253132     10.25121781    -15.23780539
  O     13.83719019      7.76001210    -14.77591762
  H     15.42915010     10.23645676    -12.75490766
  H     14.70850988      9.28436265    -14.59724234
  O     14.88953383      5.99090685    -13.02183198
  H     15.66506730      9.37671651    -11.48324707
  H     14.19576778     12.42856339    -16.41297468
  O     18.58593873      7.97590044    -12.35623533
  H     11.55147016     10.08716258    -15.93920031
  H     15.20116350     11.58767427    -17.22943815
  O     14.08949501     12.65303874    -14.52161738
  H     11.06834567      9.38668235    -14.63483132
  H     14.32595426      7.74299616    -10.24183482
  O     16.90533530      7.82320429    -17.04858385
  H     13.77338836      7.59967182    -15.72776022
  H     13.04974825      8.59332155    -10.44920574
  O     16.06451334      7.65954588    -11.12558669
  H     12.95548689      7.85928896    -14.39563139
  H     16.85192327     13.20198440    -13.04501206
  O     17.20681555      6.75464451    -14.55091978
  H     14.57072650      6.61711012    -13.69369541
  H     15.79300549     13.32258413    -14.16407840
  O     18.60377715     12.07521283    -15.35914574
  H     14.09079004      5.66896324    -12.59068200
  H     16.47924560     11.61286558    -11.43636862
  O     12.50227226     10.04950178    -17.60492304
  H     18.69543203      8.91886738    -12.57171986
  H     17.14194550     12.64870172    -10.49628731
  O     15.18643874     10.11545909    -14.46889121
  H     19.44250219      7.65815686    -12.08187628
  H     13.59777259     10.22471748    -11.67042323
  O     14.33425579     12.01440925    -17.27452280
  H     13.23562420     12.65025437    -14.07585095
  H     12.23956632     10.84969387    -12.05921028
  O     13.36933491      7.74749094    -10.11009773
  H     14.40337242     11.73510343    -14.49707118
  H     17.47251124     11.01917185    -16.37052392
  O     16.73204040     13.44545090    -13.97139101
  H     16.99564218      7.44136028    -16.15780139
  H     16.91256065      9.65534695    -16.92634047
  O     17.15157024     12.31517789    -11.38933574
  H     17.41644331      7.26653329    -17.63113064
  H     11.89358613      8.75950425    -12.69454762
  O     12.64114008     10.08151297    -11.63493501
  H     15.65837113      7.05079571    -11.76108709
  H     11.62584866      7.24141872    -12.82644705
  O     16.70248315     10.58375149    -16.75896136
  H     16.98900017      7.73497817    -11.39428230
  H     12.65312383      6.45187834    -11.06063616
  O     11.53974388      8.08238235    -13.29144539
  H     16.50013250      6.29057847    -14.08720469
  H     11.83198345      5.15265945    -11.23417071
  O     12.31732956      5.81579457    -11.71782737
  H     17.72879557      7.18449412    -13.86253091
  H     13.57230156      8.48557927    -17.63222610
  O     14.00894684      7.63677033    -17.47718133
  H     17.93329161     12.62583893    -14.91294372
  H     14.96138473      7.78943847    -17.48007415
          69
 Energy    -248.84911672669557     
  O     -7.85448489     -1.62613608      6.48118832
  H     -8.59427231     -1.02106891      6.61227937
  H     -5.93172814     -2.85157171     -0.26926856
  O     -9.76091934     -2.79830525      2.69479711
  H     -7.04667973     -1.13881225      6.68248443
  H     -4.41625969      1.02402615      1.84321034
  O     -7.71115420     -3.53010107      4.57260822
  H     -9.11752541     -3.15756011      3.31607490
  H     -3.29132897      2.04271648      1.87644327
  O     -5.33716559      0.58973844      0.27626055
  H    -10.11780711     -2.00970048      3.12673028
  H     -7.09918208     -0.41136805      3.34675609
  O     -6.85125028      1.87428267      5.65368817
  H     -7.80229806     -2.86993056      5.28424990
  H     -7.37963501      0.87167047      4.19763676
  O     -5.18565909      5.01254601      0.54599222
  H     -7.63244894     -4.38035065      4.99632029
  H     -4.87269133     -0.30691422      6.05760452
  O    -10.16860741      0.69281686     -0.09504497
  H     -5.49192382     -0.35759158      0.18746676
  H     -4.79586883     -0.22512536      7.60170685
  O    -10.13517206      0.10669418      6.70811150
  H     -6.20355127      0.99031245      0.44752795
  H    -10.19646708      4.81726458      3.37120244
  O     -4.10773011     -0.48016391      4.51756326
  H     -6.26484622      2.45466154      5.14373126
  H     -8.92029514      4.08301009      2.92056794
  O     -3.69221011      2.75690802     -0.27407169
  H     -6.31071642      1.26548623      6.16889197
  H    -10.98081687      0.97116920      2.86673308
  O    -10.31063588     -0.35552130      3.93999997
  H     -4.65867345      4.26264294      0.23299466
  H    -10.70528229      2.46835926      2.59528415
  O     -6.14141709     -2.10185460      0.28023361
  H     -4.55618288      5.66687917      0.84264730
  H     -6.56068703     -2.55743645      3.53147139
  O     -3.81658880      1.48153721      2.45115807
  H    -10.75071722      0.89063195     -0.82316158
  H     -6.03865808     -2.06253254      2.13881585
  O     -7.66999035      0.36326187      3.42926732
  H    -10.59577332      1.04114300      0.70914378
  H     -9.17205733     -2.20931998      1.11236499
  O     -5.40206189     -0.18666384      6.86720055
  H     -9.95055928      1.03264617      6.46557282
  H     -9.31276724     -1.01456099      0.13403080
  O     -9.77262151      3.96145259      3.36921125
  H    -10.76913880      0.13054294      7.41951026
  H     -9.65448406      3.06814416      5.08339201
  O    -11.11824430      1.68086749      2.22296189
  H     -3.85587161      0.22417819      3.90981544
  H     -8.51922943      2.43419632      5.90662231
  O     -6.02416924     -1.88684262      3.08734031
  H     -4.69161317     -1.06449565      4.01212153
  H     -4.83144568      2.74149565      3.43471611
  O     -8.78921982     -1.80021974      0.32102596
  H     -3.15311283      2.62477216     -1.05031755
  H     -6.05479562      3.67367545      3.29407327
  O     -9.47563878      2.59727843      5.90392110
  H     -4.26290515      1.97355592     -0.20498122
  H     -8.56440205      1.33251629      0.51755758
  O     -5.39625618      3.35261448      3.92314000
  H     -9.38875380     -0.12178042      3.74905417
  H     -7.78578599      1.15033160      1.85815625
  O     -7.76531042      1.58948079      0.99234462
  H    -10.40942739     -0.28249464      4.89608891
  H     -7.52684200      3.24649622      1.57430014
  O     -7.37115678      4.10656392      1.99423719
  H     -7.11108590     -1.98946742      0.24605074
  H     -6.69548599      4.54785904      1.46190639
          69
 Energy    -248.84909288280443     
  O     18.01868585      8.80555269    -10.06860819
  H     17.69616049      9.43680980    -10.72802695
  H     19.39370061     11.99716608    -10.46300109
  O     14.56619260     10.08499129    -12.19047321
  H     18.08213996      9.24870037     -9.21251727
  H     19.04889999      9.94028498     -7.47395568
  O     19.57500374      3.31836362    -12.57700829
  H     14.57215344     10.25521158    -11.23035736
  H     17.66304785     10.67540710     -7.61116118
  O     21.59120964      6.61019718    -10.72319968
  H     13.79733664     10.52251991    -12.54557721
  H     19.58099801      8.75829291    -10.92055557
  O     14.80566781     10.36975379     -9.51486609
  H     19.48254611      2.37440252    -12.66980545
  H     19.91652043      8.77033544    -12.42542101
  O     20.39329842      6.63733449    -15.19914336
  H     19.08083971      3.72353161    -13.31256847
  H     21.04800223      4.50130769    -12.97851571
  O     21.62447667      7.22215700     -7.96714900
  H     21.76570507      6.76109302     -9.78687908
  H     21.77742757      5.69437143    -12.33612769
  O     15.67224369      7.69735215     -9.07815950
  H     21.25058640      7.44878086    -11.07005936
  H     18.94401357      5.32506798    -14.93415131
  O     19.20934352      6.02426797     -7.90430094
  H     15.42961387     10.97015318     -9.09151263
  H     17.79476741      5.29869207    -13.91473581
  O     17.05210191      7.42565563     -6.64105671
  H     15.02550125      9.47626426     -9.21882655
  H     16.38536362     10.31689160    -12.40675251
  O     16.80626622     12.10851675     -8.39598732
  H     20.95248415      6.62767208    -15.97138215
  H     17.77201423      9.84857265    -12.96079344
  O     18.46200735     12.23767609    -10.51908981
  H     20.88540683      6.17989008    -14.49378284
  H     21.12994120      9.05691599     -7.93262751
  O     18.08595164      9.82962750     -7.41940022
  H     20.75623100      6.78552581     -7.88378059
  H     20.99289503     10.41399965     -8.67641382
  O     20.31093036      8.87498091    -11.54992501
  H     22.18250261      6.85430549     -7.28669922
  H     14.65047976      8.15864551    -11.97827228
  O     21.60914755      5.25966753    -13.18258824
  H     15.93783744      7.45438637     -8.18459279
  H     14.93532686      7.27072639    -10.75247330
  O     18.30596075      4.73583282    -14.51579607
  H     16.49447521      7.94507356     -9.52934314
  H     19.31216908      7.96378212    -14.41029054
  O     17.34157997     10.40952706    -12.30310788
  H     18.95969305      5.72128210     -8.78702308
  H     18.19109376      7.77801081    -13.36705486
  O     20.75099438      9.94292885     -7.87048466
  H     18.42445306      6.40294650     -7.49346858
  H     21.93093942     11.57894058    -10.80806526
  O     14.83465232      7.24962011    -11.71402917
  H     17.41463225      8.30914792     -6.83239945
  H     20.93418993     10.39932184    -10.89953522
  O     18.75245006      8.44815791    -13.79136903
  H     16.85286035      7.40415155     -5.70888326
  H     17.80497313      6.15023483    -11.81354121
  O     21.14677738     11.21115816    -10.40819864
  H     16.62058307     12.97928231     -8.05525962
  H     16.40245866      6.66708889    -12.30280686
  O     17.30576724      6.46002746    -12.57999177
  H     17.40267276     12.22464239     -9.15823519
  H     19.90403554      5.77979775    -10.68377784
  O     19.04636905      5.33333697    -10.65323367
  H     18.09044582     11.72573320    -11.25144988
  H     19.15535901      4.52995710    -11.17840857
          69
 Energy    -248.84862560532986     
  O     10.50730300     10.57162385    -12.19930111
  H     10.13042767     10.10491256    -12.95551281
  H     17.89993181      6.74848853    -14.08054718
  O     13.98724675      7.11151176    -15.10818393
  H     11.34648990     10.94027620    -12.50515191
  H     15.16260078     13.50211967    -15.02846409
  O     17.53945472      9.91483495    -11.18457509
  H     14.62382304      6.84743529    -15.78153836
  H     15.55652179     12.01358036    -14.88568075
  O     12.27001070      9.30239999    -15.23758127
  H     14.48382576      7.70746969    -14.52117777
  H     15.19763616      9.14868546    -12.73370393
  O     15.09867193      6.20257407     -9.45413676
  H     17.61792403      9.10720687    -10.66190455
  H     15.93810199      9.34376715    -14.07543509
  O     12.90739284      6.15249672    -12.73658726
  H     16.60344827     10.15223497    -11.16077147
  H      9.98876984      8.97881161     -9.49841580
  O     14.69727911     10.14839064    -11.32776495
  H     11.35318097      9.08827701    -15.02555394
  H     10.52680132      9.44985379    -10.87235497
  O     16.25084611      9.60494888    -17.32782703
  H     12.76653970      8.47472911    -15.28461691
  H     11.09203189      6.51716093    -12.54264805
  O     14.94130660      4.57579282    -11.61016882
  H     15.95099585      6.65356614     -9.48161417
  H     10.24277010      7.39009409    -11.59143163
  O     16.78116812     10.74605111    -14.94550434
  H     14.42828184      6.86436388     -9.67615134
  H     18.45739757      9.79314517    -12.68673177
  O     16.27728073      6.77802526    -16.74476653
  H     13.21855637      6.39350162    -13.61997277
  H     19.81675964     10.05527497    -13.37402235
  O     18.24472157      7.20129866    -14.86239849
  H     13.51792070      5.48638599    -12.39735618
  H     16.37875927      7.22013573    -12.88645659
  O     14.80124413     12.62675441    -14.91736908
  H     14.18143710      9.43202162    -10.93075565
  H     16.21526670      5.75041661    -12.37503136
  O     15.50293370      8.68302171    -13.52220289
  H     14.09987217     10.62390447    -11.92317106
  H     18.48680522      6.87754997     -9.78608656
  O     10.55695513      8.72579590    -10.22044317
  H     16.17058353      8.64773064    -17.26072758
  H     17.48921161      6.96732325    -10.96530678
  O     10.21318714      6.90249787    -12.42372978
  H     15.35321152      9.97004377    -17.36916749
  H     13.16022433     10.33550761    -16.51744453
  O     18.94145348      9.70916010    -13.52782698
  H     14.99153306      3.64782375    -11.39838948
  H     14.03844899     11.59044881    -16.44278299
  O     16.85965281      6.44475644    -12.55646000
  H     14.98370939      5.06441742    -10.76734986
  H     12.31173033      8.21001819    -10.31438391
  O     17.68022639      7.30053652    -10.07135998
  H     17.62975094     10.50685428    -14.55627653
  H     13.11007125      7.38979776    -11.35879193
  O     13.78798642     10.86548368    -17.02638235
  H     16.71909570     10.35836346    -15.83486006
  H     13.56632723     11.82378528    -13.78873591
  O     13.20345486      7.93843912    -10.56748998
  H     16.60995112      6.17403129    -17.40405650
  H     12.80497766     10.49068155    -13.94273940
  O     13.02830826     11.18479275    -13.30474596
  H     17.00564152      6.92856620    -16.11707528
  H      8.83957626      8.63795720    -14.72103861
  O      9.68326796      8.78377469    -14.30216603
  H     18.56806689      8.04712241    -14.53194640
  H      9.81913546      8.05182508    -13.67404098
          69
 Energy    -248.84850966429104     
  O      1.48185882     -2.91016871     -3.74334021
  H      1.35717193     -1.97238752     -3.51228338
  H     -2.97134215     -0.62393278      2.60477631
  O     -3.69859549     -3.18248131      0.32302396
  H      1.88931112     -2.92889632     -4.60543740
  H     -3.50880897     -0.04119793     -0.74481199
  O      0.01608312     -0.05858520      1.69272229
  H     -3.23655795     -3.86473812     -0.17728922
  H     -2.26223244     -0.93245902     -1.00083502
  O      1.08511807     -0.35988677     -2.89986867
  H     -3.65760057     -2.38222987     -0.22010897
  H     -0.32013890     -1.74826575      2.40327950
  O      3.14937320      2.15914441      0.98573998
  H     -0.15852561     -0.37324439      0.78936506
  H     -1.41654715     -2.71384180      2.89374750
  O     -2.45240583     -1.10090477     -3.81663430
  H      0.96992256     -0.10849563      1.83978678
  H      3.19938653     -0.86135606      1.37456558
  O      2.47244941     -3.51965965     -1.15860009
  H      0.48202995      0.29815649     -3.26847185
  H      2.62665567     -0.98372832      2.81580364
  O      0.34176128      2.59941584      0.62644778
  H      1.81530949      0.08814125     -2.44666638
  H     -4.52758784      2.04669441      0.44413094
  O     -1.27066477     -3.55973069     -3.30377989
  H      3.07390960      1.32854326      1.48353629
  H     -3.42357992      1.14028404      1.03710329
  O     -2.07511357     -4.96642337     -1.17038655
  H      3.81519524      2.68168041      1.42606644
  H     -3.94563644     -2.84676457      3.42626480
  O     -0.47133977     -1.16771254     -0.72401104
  H     -2.90341890     -1.01504899     -2.96493843
  H     -3.44706031     -2.78133570      1.96148049
  O     -2.71362824      0.28009260      2.38774458
  H     -1.95998743     -0.27976753     -3.92355793
  H      2.08158926     -2.57390107      4.84278507
  O     -3.22076305     -0.87421676     -1.13588222
  H      2.19265782     -3.41282083     -2.07572607
  H      1.14957489     -2.54722624      3.62134296
  O     -0.46785705     -2.64978554      2.72289512
  H      1.67300564     -3.71856101     -0.65175437
  H      4.93352042     -2.02790824      0.00579733
  O      2.76811118     -0.36532439      2.08495258
  H      1.30277292      2.64581765      0.68103536
  H      3.48834669     -2.36342596     -0.42832821
  O     -3.75811154      1.53399837      0.21201465
  H      0.11402401      1.78386160      1.08764434
  H     -0.14259507     -3.55313398      1.09802088
  O     -3.24627079     -2.50632005      2.87573623
  H     -1.70677368     -2.73311146     -3.55772841
  H     -0.67832010     -4.28386959     -0.18333290
  O      2.01903192     -2.26332772      3.94293715
  H     -0.33481783     -3.44165148     -3.49795473
  H      3.16497156      1.28905272     -0.75105901
  O      4.04821354     -1.67539886     -0.02483583
  H     -2.27464182     -5.85692980     -1.44465246
  H      3.55719372     -0.16333563     -1.05306270
  O      0.05889839     -3.77638070      0.18105646
  H     -1.82645802     -4.47399791     -1.97578581
  H     -0.84721190      2.57929780     -0.74620305
  O      3.17308135      0.62819095     -1.45212289
  H      0.05915758     -0.90008039     -1.48486741
  H     -2.33477060      2.19344627     -0.88086947
  O     -1.54742404      2.40905954     -1.39233344
  H     -0.28500899     -2.09749412     -0.53946117
  H     -0.97034692      2.04790729     -4.43271240
  O     -0.90313290      1.35704871     -3.77961859
  H     -1.75440274      0.26405679      2.27950196
  H     -1.15871894      1.75414223     -2.92637571
          69
 Energy    -248.84850612070178     
  O     11.80266142      9.87643925    -15.45003519
  H     12.38746617      9.23243491    -15.87358545
  H     15.85117130      5.68683448    -15.26421383
  O     16.36792038      7.28344310    -12.65250403
  H     12.24105097     10.73094945    -15.53321218
  H     20.58922454      9.66700006    -13.97114295
  O     16.34625946     11.16196869    -11.24114260
  H     15.62292244      7.20754399    -12.04101333
  H     19.65277946      8.49862563    -14.35462189
  O     17.51035835     10.24032869    -15.58969595
  H     17.01438901      7.87842712    -12.24873380
  H     15.31559987     10.55381562    -17.77752858
  O     13.96495917      5.44126413    -15.46116077
  H     15.72006005     11.43408958    -11.92199192
  H     16.24069264     11.13379691    -16.69548692
  O     14.56532182     10.38328261     -9.22389018
  H     15.81124861     10.97252161    -10.45665105
  H     15.60047247      8.47513643    -13.77974173
  O     14.17092064      7.31120201    -10.99624977
  H     18.27407736     10.13394100    -15.01285233
  H     14.72692434      8.77562152    -15.04780525
  O     14.28419049     11.39777965    -13.17958461
  H     16.74098623      9.91022653    -15.09690763
  H     10.03545345      8.60362817    -13.18099747
  O     17.35596483      7.90354272    -17.11554950
  H     13.53267419      5.72708304    -14.63451877
  H     11.23803128      9.10820605    -14.01365142
  O     15.37099632      7.68602904     -8.49320062
  H     13.55732054      4.61638823    -15.71093175
  H     18.11513847      8.52016635     -9.91823517
  O     19.42212965      7.00009209    -15.30334251
  H     14.79593820      9.51909333     -8.86477776
  H     18.67619559      8.65001986     -8.49556815
  O     16.72772085      6.03326856    -15.06177372
  H     13.83573845     10.22642804     -9.83804255
  H     12.09630133      7.06887850    -13.28118421
  O     19.68167741      9.37450468    -13.93293650
  H     14.52840070      7.31973399    -10.09999142
  H     13.23205870      6.51517759    -12.40642628
  O     15.43204279     11.31158101    -17.19363846
  H     13.75649471      8.17556313    -11.13816751
  H     17.52273272      9.92249977    -11.50063805
  O     15.29649278      9.17058611    -14.37626965
  H     14.64479956     10.58882186    -13.57819865
  H     18.70741184      9.30273137    -12.33069662
  O     10.98829537      8.61721400    -13.20988211
  H     13.92340580     11.89802535    -13.91856367
  H     16.06908622      8.41066820    -18.19080821
  O     18.00403875      8.20537925     -9.00663907
  H     17.48170072      8.74017793    -16.64302004
  H     15.34963167      8.60328536    -19.54891768
  O     12.75795357      6.36794115    -13.23483559
  H     17.08632994      7.25380775    -16.44996329
  H     13.31133327     10.39339765    -11.99966551
  O     18.10766062      9.15031664    -11.59300078
  H     16.32051404      7.83219861     -8.64550095
  H     12.12765617      9.40153299    -11.94382679
  O     15.27234099      8.77658037    -18.61471232
  H     15.29067475      7.26012145     -7.64382901
  H     13.08336612     13.12573308    -16.07022487
  O     12.86918752      9.74605440    -11.43157985
  H     18.68762416      6.43423637    -15.03329861
  H     14.08772863     11.96800598    -16.25637923
  O     13.34528052     12.28202431    -15.71116851
  H     19.15440198      7.30128630    -16.17883728
  H     14.15509946      8.24606960    -17.23980017
  O     13.69547729      8.06950349    -16.40931057
  H     16.65305717      6.40246562    -14.16797972
  H     13.75624131      7.12471370    -16.22008132
          69
 Ord_Energy   -248.848389    
 O   -4.74124098     -0.574129522      -4.97483492    
 H   -4.30148315      -7.82201998E-03  -4.31807804    
 H   -5.55888319     -0.140483573      -5.20757389    
 O   -4.67320299      -2.40545154     -0.662996292    
 H   -4.70852566      -2.58883834      -1.62021136    
 H   -5.36026573      -2.92562747     -0.255697787    
 O    2.07959771      0.651842356      0.613310277    
 H    1.52859569       1.22685647       7.01345801E-02
 H    1.53287697      0.422836959       1.37571979    
 O   -3.27239895      0.755974650      -3.07437921    
 H   -3.70301914      0.729724109      -2.20747995    
 H   -2.60937023       4.75694984E-02  -3.09178591    
 O   -4.61673403      -2.90855908      -3.30500674    
 H   -4.65843534      -2.20714283      -3.96563959    
 H   -4.00909138      -3.58224511      -3.63296843    
 O  -0.850617111      -4.63258886      -2.06174135    
 H    9.13985074E-02  -4.44828987      -2.15623808    
 H   -1.18674850      -3.98719859      -1.43006766    
 O   -1.64625728      0.298388422      0.459951848    
 H   -1.68672037     -0.590757132       8.49287733E-02
 H   -1.09867668      0.837683499     -0.130797431    
 O    4.28405404E-02   1.72009552      -1.22642493    
 H   0.485407263       1.01244211      -1.72163928    
 H  -0.409089237       2.24785876      -1.89454591    
 O   -4.29560947      0.438637435     -0.556628585    
 H   -4.54026031     -0.494782269     -0.520088255    
 H   -3.47823787      0.521539748      -4.78548184E-02
 O  -0.142988220       1.08969128      -5.51579857    
 H  -0.500791013       1.69973266      -4.86388874    
 H  -0.896300018      0.612640142      -5.89608669    
 O    8.96819308E-02 -0.179827467       2.53658319    
 H  -0.187002197      0.152323499       3.38665819    
 H  -0.601219714       6.84025437E-02   1.89905763    
 O   -1.40404332      -1.26536047      -3.05781507    
 H   -1.42446291      -1.79676402      -3.86353564    
 H  -0.500551641     -0.936294198      -2.95163083    
 O    2.25373030      -1.87904096     -0.529078901    
 H    2.42751598      -1.00295007     -0.156035438    
 H    1.59962857      -2.27683640       6.74922168E-02
 O    2.12530851     -0.307863384      -5.16208649    
 H    2.83763885       9.42109674E-02  -5.65071869    
 H    1.32049561      0.208598167      -5.35856724    
 O   -1.31784558      -2.82777810      -5.37789392    
 H   -1.78020966      -3.61788607      -5.07721281    
 H  -0.364297897      -2.99658155      -5.32252741    
 O   0.277226388      -2.70178342       1.18052959    
 H   0.230507433      -1.95157707       1.78712142    
 H  -0.529659390      -2.66927481      0.651003063    
 O   -1.41014326       2.73554301      -3.45742011    
 H   -1.79694426       3.57494926      -3.69460368    
 H   -2.14591956       2.10902262      -3.34998918    
 O   -2.68536782      -4.88515186      -4.04955387    
 H   -2.02130914      -4.86298561      -3.33734822    
 H   -2.83546042      -5.80312204      -4.25912333    
 O    1.37232578      -3.05765581      -5.00370121    
 H    1.62489700      -3.33850551      -4.11638689    
 H    1.71716642      -2.16336966      -5.12177324    
 O   -1.89456534      -2.35753679     -0.615799129    
 H   -2.85116577      -2.45841336     -0.523092568    
 H   -1.72757506      -2.01416755      -1.50937569    
 O   -2.24897695     -0.448911697      -6.44612360    
 H   -1.90426397      -1.32861114      -6.23214102    
 H   -3.15124273     -0.450491011      -6.11084557    
 O    1.14267898     -0.377817512      -2.57875490    
 H    1.59707737     -0.939462304      -1.93836880    
 H    1.64091897     -0.356483161      -3.40505838    
 O    1.94649327      -3.95779181      -2.32453418    
 H    2.59940434      -4.64212132      -2.19081426    
 H    2.15637040      -3.25472641      -1.68964100    
          69
 Energy    -248.84833486670993     
  O     15.38483346      5.05839279    -16.52742869
  H     15.60729473      5.99771274    -16.57086366
  H     17.39330091      4.59423524    -13.41310245
  O     18.50302274      6.15081792    -10.19209085
  H     14.45723377      5.03240081    -16.26071001
  H     16.62297962     11.19651139    -16.95961040
  O     14.63349542     10.84586609     -9.61062424
  H     18.35269457      5.84457823    -11.09540290
  H     17.29785597     10.47692198    -15.77128928
  O     18.80397530     10.20588733    -14.74762925
  H     18.59502385      7.11171793    -10.22718747
  H     16.66125537      8.17995866    -12.82535400
  O     16.69746918      3.47897487    -14.74939596
  H     14.90826692     11.11559475    -10.49754252
  H     15.37628932      8.05487454    -11.93791698
  O     13.09636729      8.63351895     -9.43938854
  H     15.44044719     10.69425420     -9.10431874
  H     13.20416189      4.62405467    -14.58026637
  O     16.41817298      5.25662678     -8.72469034
  H     19.71335578     10.36614693    -14.98547708
  H     11.97883063      4.73879010    -15.51692884
  O     13.74135857      7.31174863    -11.80334807
  H     18.67954086     10.57154969    -13.85250745
  H     17.13530723     10.25600104     -7.21211081
  O     18.37495250     11.10984578    -12.25771539
  H     16.29766428      4.03937927    -15.43882621
  H     16.36340113      9.12421261     -7.93349343
  O     15.32842266      7.73076932     -7.87778079
  H     17.09998494      2.73917293    -15.19640835
  H     15.50822011      5.02864953    -10.33824929
  O     15.72154022      7.80916425    -16.15776034
  H     13.59297701      9.46934184     -9.51653106
  H     16.03031767      5.18598167    -11.78490035
  O     17.58325801      5.29533538    -12.77673199
  H     12.24871124      8.85185249     -9.06125489
  H     15.81452124     10.23084339    -12.12315672
  O     16.48898515     10.51481630    -16.30505981
  H     17.21517147      5.57335647     -9.18900152
  H     14.99284900     11.18060641    -12.99920784
  O     16.22992330      8.49546495    -12.02155428
  H     16.70220141      4.57331456     -8.12341316
  H     17.94548740      9.35522275     -9.49930969
  O     12.80215912      5.16108188    -15.28673702
  H     14.14961373      6.46647827    -11.56547088
  H     17.54079977      8.77409348    -10.87295902
  O     16.89137611      9.93146478     -8.07474826
  H     13.42583425      7.73375916    -10.99353785
  H     13.12623722      6.97057037    -14.85421906
  O     15.22598683      5.05897208    -11.25993378
  H     18.52368532     10.47216659    -11.54786684
  H     13.52801887      7.69067048    -13.55755223
  O     15.56827093     11.16423988    -12.22315178
  H     17.43832946     11.34922812    -12.21471735
  H     14.38109571      4.05226060    -12.59161347
  O     18.30773033      8.99785476    -10.32048184
  H     14.51535738      7.89829878     -8.36914816
  H     14.98320656      3.44048354    -13.86347089
  O     13.48746601      7.80117536    -14.51856477
  H     15.64904058      6.86083044     -8.14524687
  H     14.88978394     10.64928033    -15.19114595
  O     14.14353171      3.66977556    -13.44621829
  H     15.93592074      8.71895649    -16.39485234
  H     13.78860414      9.76157043    -14.57878576
  O     14.15859101     10.65226424    -14.56224411
  H     14.93655797      7.83945064    -15.58844524
  H     17.03063825      7.60299307    -14.94718518
  O     17.68889428      7.64272031    -14.23833221
  H     17.71690758      6.09936939    -13.29834608
  H     18.21098457      8.43893199    -14.38887814
          69
 Energy    -248.84831752110728     
  O     18.46789820      9.50067185    -10.40449409
  H     18.59882555      9.79095775     -9.49446765
  H     12.33632673      9.40952918     -9.79964887
  O     13.09903930      6.30990685    -10.10109685
  H     17.59638470      9.07180204    -10.38528713
  H     19.78737170      5.25719081    -13.00582810
  O     11.80274556      8.51040384    -11.35780934
  H     13.21668417      6.62546402     -9.19792687
  H     18.64024647      4.74782769    -12.10519890
  O     17.64370998      9.71213501    -13.05075783
  H     12.59262915      6.99650608    -10.55452752
  H     15.52543746      6.43618938    -12.16973744
  O     19.96300084      7.18990047    -10.52250450
  H     10.95020002      8.51898331    -11.78453013
  H     14.61729593      5.98134760    -10.95872701
  O     19.84012894      7.40028038     -7.67628432
  H     12.45425466      8.77575672    -12.03131452
  H     20.82172944      6.86794595    -12.01848497
  O     17.97827941      5.23790750    -10.37396804
  H     18.03851437      9.75496943    -12.16955032
  H     22.08260701      6.54647033    -12.85502243
  O     13.66266593      9.21570661    -13.18767301
  H     18.28213880      9.26826139    -13.62925051
  H     17.54067077      9.11821245     -7.39674140
  O     16.69849202     11.98725617     -8.11644977
  H     19.50806073      8.04399608    -10.54647762
  H     17.79501003     10.61327214     -7.65891098
  O     15.48984214     11.41391442    -12.91649078
  H     19.27522879      6.50801584    -10.49292398
  H     20.01486174      7.68806960    -14.03522871
  O     15.03527419     11.00445750    -10.14358883
  H     20.09714510      7.34436115     -8.60552037
  H     18.75894181      7.40467834    -14.87124287
  O     12.75451561      9.77763839     -9.00979425
  H     19.46053500      8.28060709     -7.55308247
  H     16.08325191      8.20647024     -9.11730304
  O     18.96774799      4.74652514    -13.01321802
  H     17.91552903      5.17271077     -9.41441234
  H     15.77394109      7.61469391    -10.51759601
  O     15.52007291      5.99131185    -11.31138731
  H     17.08794931      5.44598250    -10.69786928
  H     16.65324771      6.89730675     -7.36958769
  O     21.13361644      6.62255169    -12.90711764
  H     14.15333970     10.04368060    -13.13468213
  H     15.27018077      7.64110174     -7.29874698
  O     18.24162048      9.75706046     -7.58863457
  H     14.31568169      8.54710464    -13.43381294
  H     16.35743103      6.95310459    -14.18299642
  O     19.30777834      8.12105358    -14.52960897
  H     16.10085639     11.71762731     -8.83080175
  H     16.46938350      8.25499354    -13.34992223
  O     15.99678586      8.42961371    -10.05458730
  H     16.29005092     12.74440738     -7.70412705
  H     18.64607015      6.13440758     -7.50106413
  O     16.22511139      7.76298910     -7.38956017
  H     16.28699669     10.86758019    -13.02572157
  H     18.10705222      4.82555661     -6.87330899
  O     15.86792842      7.53668084    -13.58886218
  H     15.60192521     12.17449946    -13.48111111
  H     12.77770111      7.49487063     -6.83658478
  O     17.90863857      5.49680864     -7.52105024
  H     15.31467545     10.07485124    -10.13674581
  H     13.19968616      8.43488323     -7.98908691
  O     13.44008719      7.61996621     -7.51144514
  H     15.13440383     11.30091426    -11.05525103
  H     18.02400100      5.40091076    -14.32649218
  O     17.57120156      5.87899557    -15.04463934
  H     13.45817197     10.35323299     -9.33474578
  H     17.49275035      5.27106088    -15.77447144
          69
 Energy    -248.84784212472417     
  O     12.95273928      5.79291217    -15.12254663
  H     13.67426063      5.17817059    -15.30282670
  H     19.45592470      9.35314034    -13.82412339
  O     17.13206071      5.99628974    -12.36272186
  H     13.34315820      6.67490417    -15.18054925
  H     15.73097065     10.97590671    -14.37109364
  O     15.24157493     10.43847073     -8.71576944
  H     18.09166743      5.97891787    -12.25479253
  H     14.21627172     11.19078955    -14.34715351
  O     19.13435550      7.77655571    -14.52533912
  H     16.94576376      6.10750619    -13.30559535
  H     16.65992710      8.67994594    -10.81056145
  O     15.24751228      4.05944549    -15.19221671
  H     14.70395407      9.62657841     -8.71787279
  H     16.58902206      7.68968889    -11.99128668
  O     13.99781476      8.01635371     -8.63098452
  H     14.98244862     10.93370247     -7.94215487
  H     12.16701921      5.24893705    -13.65618608
  O     15.35147610      5.09955790    -10.50422803
  H     18.30683690      7.39275874    -14.84091646
  H     10.96106297      4.54463282    -12.99150891
  O     13.60161978      8.75283072    -12.26785926
  H     19.47546697      7.16698332    -13.85911152
  H     16.84392201      9.47412783     -8.90909284
  O     19.88752728      6.26206103    -12.19224096
  H     15.00087500      3.80605065    -14.28502657
  H     17.19635226      7.96392970     -8.81540855
  O     16.33592981      6.37292705     -8.29032985
  H     15.37432067      3.24883943    -15.67814712
  H     13.43852756      3.82026602    -12.67843770
  O     16.60810829      6.51460043    -15.01199202
  H     13.49471994      7.53292218     -9.29782653
  H     14.74804623      3.82700595    -11.87482182
  O     19.65222199     10.15923683    -13.31331121
  H     14.72227571      7.43185415     -8.37663907
  H     17.93294646     10.83194516    -13.11313762
  O     14.93700884     10.89671447    -14.91694706
  H     15.98611607      5.38894899    -11.17930375
  H     16.72654989     10.04529127    -12.57618070
  O     16.27491036      8.54956908    -11.68574759
  H     14.53318509      5.60259172    -10.63240312
  H     19.71817265      9.27743065    -11.57819213
  O     11.84457345      4.86066620    -12.82270798
  H     13.31891911      9.66545071    -12.40397720
  H     19.06833358      8.78540982    -10.25038318
  O     17.48652312      8.80801787     -9.18792079
  H     14.53249766      8.76636630    -11.99510973
  H     15.89138999     11.76331714    -11.70004643
  O     14.34361938      3.48223625    -12.67875150
  H     20.66866406      5.76443744    -11.96906099
  H     15.22160448     11.48444749    -10.32483170
  O     16.98689427     10.90354980    -12.94338341
  H     19.90851927      7.07969364    -11.66155801
  H     14.60870662      9.10730380    -15.13284398
  O     19.78170691      8.61590043    -10.87806822
  H     16.03414960      5.83778521     -9.04437546
  H     14.06448656      8.25981996    -13.98406269
  O     15.14802245     12.00834815    -11.13093636
  H     16.54252584      5.76274704     -7.58688668
  H     13.11740186      7.33940559    -11.36705183
  O     14.39985116      8.19496309    -14.88870872
  H     16.22711809      5.65037467    -15.21503830
  H     12.46491758      5.94134947    -11.41441367
  O     12.97181954      6.53325168    -10.84623050
  H     15.87689760      7.15002630    -15.01935567
  H     12.35279875     12.09001146    -12.68928645
  O     13.06415099     11.46001797    -12.76057140
  H     20.39754504     10.57675341    -13.73697255
  H     13.76441058     11.75273872    -12.14911496
          69
 Energy    -248.84763907347676     
  O     12.04601004      6.18839357    -15.39402110
  H     12.61773404      5.42086568    -15.51935924
  H     19.06566809      9.68772473    -11.41814111
  O     16.57647405      6.23224113    -12.54658637
  H     12.60814012      6.96356278    -15.52341258
  H     16.49652001     12.23638553    -13.70945701
  O     16.34935507      9.51801065     -9.51101926
  H     16.30767401      6.06390204    -13.45889413
  H     14.97091005     12.06268175    -13.74196537
  O     19.94178341      8.17997982    -14.05219147
  H     16.47765962      7.18660631    -12.41462835
  H     16.24981165      9.15688115    -11.27201053
  O     13.89042977      3.97550688    -15.31755160
  H     17.24790666      9.17223237     -9.44883253
  H     17.17061320      9.37214990    -12.48763109
  O     14.52953213      7.51388859     -9.11688926
  H     15.73020090      8.82049070     -9.24288121
  H     10.00921197      5.74015811    -12.99118574
  O     14.54496761      5.26825730    -10.91462146
  H     20.70621289      8.05407113    -14.60729491
  H     11.28250792      6.01923708    -13.82360049
  O     13.70595405      9.34015963    -12.88837240
  H     19.15954051      8.09803682    -14.62859599
  H     12.21969326      4.39099112    -12.73567708
  O     19.19362204      6.66093357    -11.72529152
  H     13.61453516      3.85402746    -14.39060364
  H     13.58509068      4.15489599    -12.06585297
  O     15.92278787     10.11912498    -16.24704808
  H     13.85381942      3.11704275    -15.72984463
  H     18.44759784     13.25764199    -12.34016253
  O     15.70136002      6.10366424    -15.18058496
  H     14.78924537      6.62323424     -9.37869394
  H     18.29947451     11.71810940    -12.35474249
  O     18.97634067     10.10285559    -12.28642362
  H     13.72886172      7.67246305     -9.63433786
  H     19.70511875      8.50016039     -9.19599926
  O     15.76416917     11.98670957    -14.28551409
  H     15.31607604      5.51436695    -11.44533754
  H     19.08899485      7.84081247    -10.45232294
  O     16.33517040      8.97729818    -12.22021216
  H     13.89425594      5.97392101    -11.04823640
  H     16.41918237     12.26850764    -11.06500733
  O     10.95443516      5.84504541    -12.92336976
  H     13.51409881     10.27019681    -12.71832200
  H     15.86073544     11.23258301    -10.05983791
  O     13.00326907      3.82883222    -12.76587430
  H     14.65346344      9.22278198    -12.71655351
  H     14.53820781      8.90489315    -15.83329353
  O     17.80386992     12.55443873    -12.37145662
  H     18.31860519      6.32947841    -11.97284203
  H     13.75155869      8.63890491    -14.53401309
  O     19.03453018      8.61608606     -9.86400858
  H     19.55552297      7.05403203    -12.52843277
  H     12.95404148      8.07400748    -11.82124582
  O     15.63923165     12.03855818    -10.54540525
  H     15.96155329     10.59270706    -17.07427375
  H     11.96878410      6.88401333    -11.73768917
  O     13.94320592      8.27421465    -15.41088725
  H     15.87206981     10.79142236    -15.54489994
  H     14.29423344     12.08061644    -11.64362280
  O     12.64035123      7.36694411    -11.24049791
  H     15.18676991      5.29621729    -15.30158463
  H     12.98255186     12.73441385    -12.14331778
  O     13.63429695     12.07423069    -12.36115062
  H     15.07206625      6.83736074    -15.24013081
  H     17.14126660      7.25765967    -15.51269362
  O     17.73379874      8.01822910    -15.57135572
  H     19.40103555      9.51793272    -12.92803290
  H     17.18117369      8.76860266    -15.82046334
          69
 Energy    -248.84744979151463     
  O      8.25405230     -9.41083208     -4.86554362
  H      8.31140568    -10.34687115     -4.65154048
  H      4.35341701    -11.79037168     -3.16092344
  O      5.50518980     -9.09592177     -4.76553918
  H      8.81969371     -8.95070165     -4.23205781
  H      5.19359659    -11.52329619      1.48735721
  O     12.60232104     -8.81916790     -0.35998926
  H      6.46988590     -9.08832443     -4.86084256
  H      4.94302260    -12.89434929      0.79136423
  O      7.48004460     -8.56785505      1.12570344
  H      5.24268710    -10.01346186     -4.88382098
  H     10.22596893    -10.16646582      1.52232936
  O      7.07822932     -8.14543587     -1.55753081
  H     12.24921190     -7.96427392     -0.63782083
  H      8.77278517     -9.86040851      1.07464238
  O      6.79482290    -10.86025986     -1.62296170
  H     12.10160302     -9.47744485     -0.85975973
  H      8.68721140     -8.05829773     -2.30184538
  O     10.61783383    -10.46474752     -1.56786603
  H      7.35143180     -8.30193260      0.20248210
  H     10.12717983     -7.49378140     -2.23238743
  O      7.73669930    -12.18732202     -3.85225667
  H      6.63204000     -8.92659537      1.41200805
  H      7.11388936    -12.61867175      0.82972454
  O     11.07939066     -6.47081046     -0.98052059
  H      6.29393864     -7.75140848     -1.95592392
  H      8.54798744    -12.02803267      0.62857638
  O      6.95315941    -14.23140573     -1.80390499
  H      6.97019549     -9.10913872     -1.61969859
  H     12.32669958     -9.26751089      2.82733071
  O      9.85496418     -7.02964566      1.39246553
  H      5.86090076    -11.07746331     -1.74418421
  H     12.10215667     -9.03688817      1.31222513
  O      4.14870715    -11.61575263     -2.23372043
  H      7.15094783    -11.43992739     -0.93672762
  H      4.32620108     -6.63292050     -3.20881379
  O      5.46776576    -12.44884477      1.46647923
  H     10.24777077     -9.68400727     -2.00539926
  H      4.93073084     -8.01360051     -3.56328710
  O      9.48576474    -10.51230728      1.00979259
  H     10.19561871    -10.53097630     -0.70107290
  H      5.00504724    -12.48876145     -5.62957952
  O      9.57547109     -8.14551904     -2.68144248
  H      7.48050573    -11.65786690     -3.08016788
  H      6.10706877    -12.12211910     -4.60998158
  O      7.89714811    -12.63598550      0.25650607
  H      8.67561959    -12.40730719     -3.75350366
  H     11.18037363    -13.03547429     -3.42976802
  O     11.65001646     -9.13528256      2.16952140
  H     10.59946881     -6.60094142     -0.14296440
  H     10.53693629    -11.85073326     -2.68443648
  O      4.69054944     -7.42465272     -2.82359381
  H     11.32600125     -5.55047933     -1.01579055
  H      4.27627021     -9.34175230      2.22652492
  O      5.17259377    -11.98249556     -4.83859038
  H      7.22898996    -13.76297494     -2.59657734
  H      4.44843518     -9.45850681      0.69544741
  O     10.36338643    -12.55460673     -3.33118742
  H      7.43813625    -13.81483400     -1.07430343
  H      4.00976032    -14.81336856     -0.67640238
  O      4.87746358     -9.64407818      1.54984645
  H      8.97931497     -7.43622881      1.41308920
  H      5.31557004    -14.14903464     -1.17491382
  O      4.43327455    -13.96865216     -0.80302117
  H     10.45004798     -7.66242677      1.81386323
  H      3.69218891    -10.06150050     -1.36171592
  O      3.70542598     -9.23537738     -0.85904827
  H      4.11315959    -12.46632731     -1.77479758
  H      3.94990148     -8.54810740     -1.49003674
          69
 Energy    -248.84742734414186     
  O     14.93922173     10.16890021    -15.88322177
  H     15.38398956      9.84276672    -16.68035571
  H     18.93629224      8.81451402    -16.00120595
  O     17.76072223      5.81161497    -11.78633983
  H     14.43098346     10.93283044    -16.15010323
  H     17.48772306      7.16931415    -15.84928747
  O     20.04536498      6.12563442    -17.70635003
  H     18.60480951      6.08528920    -12.17170610
  H     17.34560712      5.70608545    -15.36887955
  O     17.76100513      4.50611542    -18.31563915
  H     17.12630234      6.49463401    -12.05012167
  H     13.07280198      7.74488125    -14.27168532
  O     13.44252108      5.44940451    -10.18266381
  H     19.34963309      5.58307946    -18.09649375
  H     13.67933223      8.77504881    -15.26437179
  O     14.17829635      4.32450983    -14.11318913
  H     19.61871231      6.95883396    -17.45779074
  H     15.73311917      1.16449146    -10.86294459
  O     16.03907540      7.60581540    -12.93622143
  H     17.80532733      4.25212720    -17.37867521
  H     14.82043144      2.31124080    -11.36262964
  O     18.10193111      4.02749137    -15.61079525
  H     17.66799278      3.69589941    -18.81162600
  H     13.80251226      6.66456437    -16.06449166
  O     13.28251228      3.04581184    -11.76772552
  H     13.07213558      5.65744584     -9.32919230
  H     15.27815972      6.19293146    -16.04416618
  O     19.42301985      9.44254667    -14.36307409
  H     14.37833985      5.22374783    -10.03410134
  H     19.76644182      7.65588404    -13.60330018
  O     20.71804254      5.00794158    -15.33446928
  H     14.17810155      4.71984322    -14.99457796
  H     20.23757538      6.22311944    -13.94177330
  O     18.62107425      8.30842776    -16.76280632
  H     15.09544761      4.12067873    -13.88512288
  H     17.15892411      4.39687401    -12.74055261
  O     16.91581829      6.56995136    -15.35440265
  H     15.11719856      7.34708985    -12.81137094
  H     16.53036913      2.98514195    -12.59292926
  O     13.05214300      8.04703056    -15.18922471
  H     16.32813256      7.25071741    -13.79137469
  H     16.72475080      5.08174890    -10.40854135
  O     15.74472261      2.06364066    -11.17821331
  H     19.02485500      4.23981421    -15.41579787
  H     16.03604132      3.71932419    -10.19365822
  O     14.39464206      5.96047502    -16.36995949
  H     17.68132647      3.72757117    -14.79220655
  H     15.17853146      6.34488098    -17.99928903
  O     19.90166078      6.77851602    -13.22831981
  H     13.16502468      3.81647349    -11.19839368
  H     16.52833387      5.94817774    -18.61762069
  O     16.79675010      3.64950504    -13.24002018
  H     13.41068353      3.39541990    -12.66056753
  H     13.64997243      5.84430398    -13.22332043
  O     16.02834042      4.63963505     -9.90445210
  H     18.52829579      9.73002873    -14.10451153
  H     13.34277664      6.37295819    -11.80702172
  O     15.85033901      6.63360343    -18.63358083
  H     20.02606164     10.11904283    -14.06672865
  H     16.22563346     10.22913126    -14.48434694
  O     13.45718118      6.65185325    -12.72384110
  H     20.58438418      5.42679088    -16.20378446
  H     16.56435414      9.29011328    -13.31938713
  O     16.87352108     10.08109427    -13.78598872
  H     21.58456804      4.61023915    -15.34794755
  H     16.38390364      9.70185393    -18.97651083
  O     16.33074111      9.24405371    -18.14130274
  H     17.93217776      8.80740272    -17.21658969
  H     16.14118064      8.31035219    -18.34933596
          69
 Energy    -248.84731938722041     
  O     17.61073971      5.46985914     -8.94070982
  H     16.75494763      5.03242693     -9.05412398
  H     17.08039572      7.03739962    -15.21727347
  O     18.29648781      8.36540268    -14.79466483
  H     17.41075110      6.31026493     -8.51288567
  H     11.74369692      6.02912488    -14.76081219
  O     13.18839789      7.64267507    -12.60777056
  H     18.60712762      8.10157106    -13.90909179
  H     12.18534339      4.71418530    -14.10386313
  O     16.10903061     10.13551430    -14.11617072
  H     19.05795628      8.69333902    -15.26538138
  H     15.33071315      6.20729372    -10.62894184
  O     17.28564664      8.74466352    -10.50856704
  H     13.98702738      7.29920430    -12.17469062
  H     16.09060457      7.49823039    -11.08257129
  O     19.05065941      7.63752933    -12.31669922
  H     12.68332402      6.89186095    -12.94074462
  H     18.54920418      5.17185931    -10.38627104
  O     12.01500486      4.66559284    -11.24693519
  H     16.91245451      9.64269821    -14.32075226
  H     19.73875552      4.42258962    -11.02765377
  O     13.16539022      3.16564297    -14.56742973
  H     15.40207254      9.65162235    -14.55858461
  H     12.24297741     10.14474487    -10.77217559
  O     16.64488919      7.96928605     -7.88979046
  H     17.17471073      8.61236057     -9.56048932
  H     12.99133490      8.96258798    -11.42879442
  O     12.27812999      6.86205698    -16.40000573
  H     16.77102800      9.52407177    -10.77328363
  H     13.69431084      8.63752501     -9.23259448
  O     14.31377596      4.81052919    -16.37743021
  H     19.15123352      6.73881070    -11.98532908
  H     13.44331967      7.26364864     -8.57531446
  O     16.37317282      6.37899238    -15.23797549
  H     18.51912608      8.10474637    -11.65525644
  H     13.88662969      8.12290373    -14.20304056
  O     11.75625659      5.56040446    -13.91715152
  H     12.84358746      4.23652666    -11.50077150
  H     14.99094648      7.58367847    -15.15196989
  O     15.46191276      6.81961895    -11.36310945
  H     11.64604135      5.00506479    -12.06946322
  H     14.75054376     10.45267535    -11.22387967
  O     18.99665408      4.98531700    -11.23119833
  H     13.64856891      3.67771863    -15.24098183
  H     15.77999513     10.58986221    -12.38264427
  O     13.04850572      9.63498379    -10.72967329
  H     12.81173942      2.39636583    -15.00610820
  H     12.24077245      5.33534685     -9.65620077
  O     14.00454276      8.04722864     -8.53515881
  H     15.68912562      7.99862450     -8.07579225
  H     11.89313720      5.26339393     -8.15099610
  O     14.25083786      8.20615838    -15.09685860
  H     16.77235790      8.39477184     -7.04614901
  H     16.29361805      5.67866139    -12.42434844
  O     15.66008620     10.69575595    -11.42614873
  H     11.84475864      7.34823176    -17.09625561
  H     17.56222224      4.80623069    -12.43440762
  O     12.52783718      5.61677863     -8.76906318
  H     12.95273823      7.45325916    -16.02157622
  H     14.20727813      4.86663877     -9.16774621
  O     16.71870011      4.93625893    -12.88434592
  H     15.10117297      5.30513456    -16.11352058
  H     14.84887595      4.05862645    -10.33531640
  O     15.04720200      4.61911515     -9.57365428
  H     13.62816930      5.46664610    -16.55180222
  H     14.02573735      3.20915660    -12.91779300
  O     14.47001156      3.48416889    -12.10554288
  H     16.52738968      5.79798324    -14.47963778
  H     15.29333527      3.89962919    -12.40122075
          69
 Energy    -248.84711557104777     
  O     10.70317237      8.84627100    -12.20163937
  H     11.57009023      9.26144654    -12.11784288
  H     14.03813775      4.41569855    -10.96894370
  O     11.97422077      4.03795183     -8.89828650
  H     10.71738390      8.39167409    -13.05222724
  H     15.56907232      4.96036301    -14.34027362
  O     17.25615050      7.22797874    -12.82727801
  H     11.83498773      3.30215680     -8.30680087
  H     15.99551358      6.32216065    -13.73320756
  O     16.88373226      4.85762441     -9.62567097
  H     12.82481910      3.88055939     -9.33897091
  H     14.09155718      5.68072195    -12.84604432
  O     15.53393152     11.32967376    -12.06171041
  H     17.09285425      8.05475253    -13.30360246
  H     12.59524259      5.42592253    -12.50266394
  O     11.92042370      6.87753716     -8.42306407
  H     17.00098133      7.37521929    -11.90693186
  H     10.02958139      8.06739044    -10.79102403
  O     13.79226742      8.20574916    -14.55659884
  H     16.79067066      5.82003530     -9.73342033
  H      8.87862248      8.06367876     -9.76061836
  O     11.90349766      2.52291238    -14.00088972
  H     17.37835583      4.72053492     -8.82124169
  H     13.62739824      6.91952191    -10.93182193
  O     17.34552515     10.14038177    -10.26452775
  H     14.73505049     10.77377063    -12.04033771
  H     13.18858362      7.43949545     -9.53142005
  O     16.42435986      3.28473562    -14.11983374
  H     15.23798666     12.22885821    -12.17802619
  H     17.66180036      4.53036713    -11.35672612
  O     14.26302567      2.14493847    -12.65626264
  H     11.92417165      5.91318334     -8.46540587
  H     17.91856459      5.49030913    -12.53040786
  O     14.34105077      3.77636083    -10.30353647
  H     11.11172810      7.16254816     -8.86917924
  H     15.54376413      7.58441587    -10.09926648
  O     15.26806021      5.86220504    -14.18016078
  H     12.86476372      7.98061849    -14.70273158
  H     16.85938728      8.42042512    -10.04506298
  O     13.45808184      5.62441947    -12.11860823
  H     14.27396495      7.36632660    -14.55441675
  H     15.49906563      9.19195346    -14.46766402
  O      9.67304061      7.60139701    -10.01444920
  H     11.54118278      1.66625940    -14.21050949
  H     16.17001092     10.20571260    -13.52223963
  O     13.78923230      7.60890138    -10.27000269
  H     12.73488799      2.35213504    -13.52744523
  H     10.63525816      4.54210834    -10.18436998
  O     17.95052902      4.55747258    -12.27648192
  H     16.73712905     10.60739954    -10.85630106
  H      9.81141538      5.80039622    -10.52953356
  O     16.51091159      7.52151909    -10.11912909
  H     18.20258059     10.53746269    -10.40364672
  H     13.57181967      8.94865415    -11.40558548
  O     16.35711244      9.48845249    -14.13894785
  H     17.02604468      3.66416524    -13.45411419
  H     13.59179804      9.10019047    -12.95877175
  O     10.01704585      4.90545778    -10.82940087
  H     16.96885880      2.82352011    -14.75239245
  H     11.03051650      6.52143384    -14.23250438
  O     13.45430892      9.58210057    -12.13024998
  H     15.02032361      2.47085869    -13.15881046
  H     10.47091634      7.37948051    -15.39079198
  O     11.06934093      7.40108247    -14.64837412
  H     14.32759033      2.54452157    -11.78082043
  H     11.28285793      4.13797152    -13.64211900
  O     11.03421374      5.02489401    -13.34302459
  H     15.20911262      4.07514423    -10.00851280
  H     10.57013126      4.94060938    -12.49559534
          69
 Energy    -248.84686731067751     
  O     -0.21008662      0.74656753      2.01759871
  H     -0.14714002     -0.01705797      2.60807736
  H      0.28194084     -2.13040524      3.38645667
  O     -1.30092995     -2.54222351      0.60088954
  H     -0.15273605      1.53745664      2.56864429
  H      3.40732272      2.10645218      2.73479187
  O      4.69439516     -0.67070586      2.83298860
  H     -0.87736747     -1.99973596     -0.07942438
  H      4.06057661      2.54799213      1.38596178
  O     -3.51683611     -1.65742204      1.82061328
  H     -0.59183588     -2.95856272      1.10347416
  H      1.57294454     -2.99449800      1.81728182
  O      1.48714879      3.35161233     -0.54371595
  H      4.51665194      0.22000021      2.48471426
  H      1.12982034     -4.37936679      2.34857028
  O     -0.06270183     -0.84837164     -1.25130100
  H      5.63861646     -0.73748772      2.94899727
  H      0.61598762      4.22394348      0.90045088
  O     -2.53649458     -0.40814335      4.21454252
  H     -4.21883079     -2.29225239      1.71171044
  H     -0.76968473      4.84625961      1.16134004
  O     -2.42926347      4.98100076      0.27810305
  H     -2.72613960     -2.03306647      1.38793384
  H     -1.51030899      4.10989239     -1.14495580
  O     -2.64331368      2.28675229      4.52880128
  H      1.56124146      2.40226248     -0.39204730
  H     -1.34785384      2.77544264     -1.90887433
  O     -0.04478057      2.95779200      3.71126136
  H      0.68981412      3.49096518     -1.07722131
  H      2.51432176      0.65924770      4.69581620
  O      2.80682271     -1.96442251      1.16783873
  H     -0.68125074     -0.20501255     -1.61837405
  H      3.27225489     -0.56219762      4.15924693
  O      0.08589791     -1.31505213      3.86328078
  H      0.68841226     -0.33902954     -0.92837288
  H     -3.10848880     -0.04921065      1.04294719
  O      3.85857544      1.78249856      1.94356047
  H     -2.96331029     -0.85027681      3.47127771
  H     -1.78751980      0.75215466      1.12757468
  O      0.83127787     -3.48388703      2.21678022
  H     -1.64294287     -0.77660919      4.25550424
  H      2.61537544      0.99591917      0.79928346
  O      0.05995195      4.60537469      1.59138793
  H     -2.86550816      4.34746118      0.87544967
  H      1.10516067      0.64984108      0.88097925
  O     -0.93444666      3.63443014     -1.75711217
  H     -3.00344790      5.73925317      0.21436062
  H     -2.84463210      0.79056957     -2.47960595
  O      2.50699904     -0.30579167      4.68669542
  H     -3.09878441      2.46333639      5.34774382
  H     -2.38167476      0.94712067     -1.01092689
  O     -2.66567512      0.74430451      0.71710941
  H     -2.62643985      1.31802484      4.42512278
  H      1.61010047      2.70598967      4.15500190
  O      1.87662123      0.63732919      0.28916123
  H     -0.06391432      3.62446773      3.00369842
  H      2.85451094      3.21145486      4.91868641
  O     -2.10379849      1.05094785     -1.93756041
  H     -0.93471993      2.83487817      4.06152587
  H      4.54155513      4.48999933     -0.34327433
  O      2.55181861      2.52954414      4.32432847
  H      3.52264471     -1.65203389      1.73525715
  H      3.16241482      3.84762460     -0.11631240
  O      4.06117673      3.91582500      0.24687336
  H      2.47916547     -1.18050738      0.71308043
  H     -3.31113307      2.28696690      1.45272912
  O     -3.49354952      3.11448333      1.91983877
  H      0.92059008     -0.99679817      4.23924728
  H     -3.28947626      2.93384821      2.84403934
          69
 Energy    -248.84672879138265     
  O     -8.04196453     -2.74491443      6.32484068
  H     -7.10704498     -2.51042583      6.47559348
  H     -7.64740966     -0.03239229      4.31754783
  O     -9.47792427     -1.80512504      2.60865777
  H     -8.36657489     -3.12033453      7.13976913
  H     -5.48935746     -0.98190303      6.96835558
  O     -8.24433248     -4.01704518      3.82465714
  H     -9.28936293     -2.68018024      2.96370454
  H     -5.18011539     -1.85685089      5.73716428
  O     -5.15720714      0.73122189      0.49045664
  H     -8.71370676     -1.26639167      2.86716785
  H     -2.24319282      3.25295994      3.12440882
  O     -5.80792046      0.89785646      7.20892546
  H     -8.37663653     -4.94732005      3.99275440
  H     -0.88221607      2.81668668      2.52754361
  O     -5.17572931      5.13963154      2.24863396
  H     -8.16096209     -3.58887138      4.69130006
  H     -8.74391914      2.72713961      4.27635574
  O     -9.95330600      1.34889994      0.14442280
  H     -5.38713663     -0.14841878      0.16952659
  H     -9.17429410      1.54642798      5.17456502
  O     -4.86336228     -1.61289502      3.99921183
  H     -5.99414094      1.12886666      0.77821214
  H    -10.46215614      1.22947059      3.26744109
  O     -3.94126149      3.30842541      0.63706668
  H     -5.48830299      1.33257535      6.39883301
  H    -10.58609131     -0.21785574      2.70698263
  O     -6.23307636     -1.80512327     -0.22886408
  H     -5.57212452      1.46580982      7.93758998
  H     -6.08124363     -2.86673716      1.36054284
  O     -3.70891382      0.61067185      2.85850536
  H     -4.79253965      4.50784479      1.61403002
  H     -6.73772782     -3.57590357      2.58391099
  O     -7.31437354     -0.30492976      3.45265300
  H     -5.25542607      5.97244896      1.79117224
  H     -9.26821040     -0.40532468     -0.19394805
  O     -5.51654408     -1.89040353      6.64656004
  H    -10.54335503      1.91452595     -0.34448887
  H     -9.18129171     -1.58024133      0.79085385
  O     -1.82148882      2.66560311      2.47181480
  H    -10.38814673      1.15212850      0.99599577
  H     -7.48184112      0.41718714      6.54849663
  O     -9.49229604      2.16332506      4.50280034
  H     -4.29694556     -0.94332138      3.59462795
  H     -8.35060651     -0.81338605      6.17824665
  O    -10.87436693      0.69309698      2.57371135
  H     -5.07123487     -2.29038485      3.33779053
  H     -3.90231296      4.66954399      3.60415517
  O     -5.89458535     -3.34111776      2.18031479
  H     -3.12563939      3.10369907      1.11133997
  H     -3.85794411      3.50909295      4.60817997
  O     -8.88104095     -1.28090446     -0.07847345
  H     -4.33011968      2.45622408      0.40405130
  H     -4.64909858      1.51530771      4.18889210
  O     -8.26555205      0.13917836      6.05502087
  H     -7.18589002     -1.60246691     -0.22341765
  H     -5.81982136      2.51483171      4.43577889
  O     -3.30524629      4.17785355      4.18299895
  H     -6.05951704     -2.27288380     -1.04234353
  H     -8.34406602      1.59154248      0.99941495
  O     -5.07999947      2.05821944      4.86240558
  H     -4.19732719      0.62349988      2.02223661
  H     -7.52920098      0.92147543      2.15998167
  O     -7.52143178      1.63411992      1.50115366
  H     -2.94478689      1.18751202      2.74356739
  H     -7.26429064      2.86749887      2.74577622
  O     -7.06704014      3.44278110      3.50177925
  H     -6.47918726     -0.76337042      3.60498483
  H     -6.52499894      4.15771048      3.14661602
          69
 Ord_Energy   -248.846573    
 O    1.30146313      -2.43853807       1.35242331    
 H   0.656588256      -2.36131573      0.632202923    
 H    2.07282043      -1.93063033       1.07476449    
 O    1.98279905       1.06059122       2.39578438    
 H    1.49491596      0.445840567       2.95618725    
 H    2.51429701      0.515406430       1.80034363    
 O   -3.91964102      -1.05236113       1.98314846    
 H   -3.89345193      -1.80669701       2.59058785    
 H   -3.17889690     -0.483268231       2.23575187    
 O   0.350155056     -0.998616159       3.55006266    
 H   0.675299823      -1.50570130       2.79029107    
 H   -2.73249391E-02  -1.64327323       4.16039276    
 O    1.10223043       3.25425434      -1.80849767    
 H    1.00319302       3.22488952     -0.840995789    
 H    1.64210415       4.01562977      -2.00657082    
 O   -3.89371586      -1.08993042      -2.08789635    
 H   -3.28414941     -0.633884668      -2.68198013    
 H   -4.29655647     -0.418636769      -1.52631593    
 O   -3.38688159      -3.25553632       3.51481605    
 H   -2.61388469      -3.15982771       4.08450747    
 H   -3.16195750      -3.95745063       2.89189553    
 O   -4.98376179      0.592009544       4.14128192E-02
 H   -4.69653225      -5.84849971E-04  0.756083667    
 H   -5.93503857      0.645437598       9.94912833E-02
 O   -3.00538754       2.53357220     -0.413850516    
 H   -2.73446417       2.89500332      0.439269751    
 H   -3.76039052       1.95144045     -0.254692882    
 O   -1.53484046       2.70918012      -2.79477668    
 H  -0.636882365       2.92075515      -2.51149154    
 H   -2.10919189       2.84302831      -2.02907896    
 O  -0.907832623      0.662679970     -0.125726581    
 H  -0.172912762       1.25970018       5.99255897E-02
 H   -1.63151181       1.21688497     -0.443283677    
 O   -2.07930756      0.255084306      -3.82162905    
 H   -1.87422085       1.14916444      -3.49735284    
 H   -2.28192067      0.342881471      -4.75012207    
 O    3.26051497     -0.600125670      0.481948823    
 H    4.18804979     -0.730170310      0.304091901    
 H    2.87839842     -0.190822646     -0.316156596    
 O   -1.85880996E-03  -4.52647018       2.73232579    
 H   0.552273214      -3.93389368       2.20657301    
 H  -0.769575477      -4.74803686       2.19057560    
 O   0.657679200       2.84771729      0.840105176    
 H    1.18217349       2.29655385       1.44302964    
 H  -0.138804749       3.11776376       1.30974674    
 O    2.14795685      0.559047461      -1.68277514    
 H    1.87272131       1.46775985      -1.83578360    
 H    1.58088112       3.92867997E-03  -2.23886681    
 O   -2.48583817      -4.99324703       1.38600826    
 H   -2.74224782      -4.29542971      0.759888709    
 H   -2.83756447      -5.81041479       1.04146039    
 O   -1.89116526       3.20459580       2.13329601    
 H   -1.86452889       2.27568817       2.42155910    
 H   -2.13263369       3.72449136       2.89553952    
 O   -3.17397499      -2.80846357     -0.108973578    
 H   -3.45822144      -2.34958673     -0.913971901    
 H   -3.41189384      -2.22852826      0.627001345    
 O  -0.859727979      -3.15927958       4.90180254    
 H  -0.656200349      -3.60833287       5.71792364    
 H  -0.515544415      -3.71803808       4.17983723    
 O   0.379884571      -1.05089605      -3.08004069    
 H   0.103361338      -1.59465206      -2.33024526    
 H  -0.427707225     -0.631232858      -3.39926958    
 O   -1.69434488      0.499883801       2.50349021    
 H   -1.42300284      0.477983624       1.57279861    
 H   -1.02153087       3.75837996E-03   2.98884916    
 O  -0.542305708      -2.01498961     -0.609940827    
 H  -0.637667358      -1.05400658     -0.514166713    
 H   -1.42210221      -2.38669658     -0.478885353    
          69
 Energy    -248.84656181180344     
  O     13.28705741      7.85327049    -16.71692283
  H     14.10747060      7.58070863    -17.14551764
  H     18.10956478     10.45932967    -12.16174451
  O     17.28852547      6.94704287    -13.33196141
  H     13.52407091      8.59655633    -16.14574548
  H     15.18512645     11.94819304    -10.63307925
  O     15.74987419      6.98001082     -9.40113070
  H     17.26806309      7.41247055    -14.17735966
  H     13.77018822     11.48516560    -11.01559737
  O     15.83599734      6.82571090    -17.56977502
  H     16.76484549      7.50487872    -12.73637389
  H     16.59133255      9.24951532    -11.51110980
  O     13.82636105      5.09317248    -10.25773477
  H     16.58516760      6.61081347     -9.71803248
  H     15.80986991      8.09230584    -10.81369604
  O     15.64733322      4.74001273    -13.59553604
  H     15.06250521      6.33295095     -9.61061474
  H     11.40310098      5.46113863    -15.85598383
  O     13.33354136      8.66257470    -12.44862334
  H     15.54503660      6.00458756    -17.13408423
  H     12.55309890      6.49370140    -15.90974987
  O     18.01001587      5.94837809    -10.80631519
  H     16.15413930      6.57936136    -18.43407570
  H     15.23430474      4.53851468    -15.39076675
  O     16.32006958      3.77412615    -11.02980922
  H     13.07088422      4.71049155     -9.81776304
  H     13.90545496      4.84833479    -16.08753672
  O     15.27528026     12.14012521    -13.91448905
  H     13.53185205      5.33802927    -11.14997686
  H     17.13035641     11.10000910     -9.97559202
  O     16.73646502      8.55279570    -15.52428535
  H     16.28698698      5.46663094    -13.56916301
  H     16.98823667     12.06336553     -8.77436999
  O     18.05633563     10.28991631    -11.20886303
  H     14.80150811      5.12565555    -13.33069219
  H     20.55725708      7.93066472    -10.40274909
  O     14.50811462     12.02761293    -11.31638834
  H     12.87727712      9.15559886    -11.75701350
  H     19.14372334      7.33491266    -10.44314275
  O     15.89628115      8.59198833    -11.63726146
  H     14.27467591      8.68120470    -12.20386317
  H     15.30036064     10.11004480     -8.74934497
  O     12.24551066      5.68156517    -15.46738666
  H     17.57262052      5.08487537    -10.78473684
  H     15.02211285      8.58832734     -8.68357816
  O     14.83508117      4.66177970    -16.26324109
  H     17.92260727      6.25890989    -11.71940434
  H     14.53038073     10.59927254    -14.63370988
  O     16.49427908     11.47970240     -9.34430440
  H     15.48812818      4.03513465    -10.62009365
  H     13.82046769      9.35130975    -14.05774897
  O     19.63351611      8.17064527    -10.40378319
  H     16.16623857      3.89565089    -11.97761836
  H     13.18303104      6.88715121    -12.69926242
  O     14.60682604      9.45531169     -8.59608422
  H     15.16224290     13.03684923    -14.21873539
  H     12.76666548      5.76833392    -13.68608466
  O     14.23716802      9.70679173    -14.85517324
  H     14.99294347     12.12269398    -12.98274894
  H     13.24586539      9.89093428     -9.60495626
  O     13.17864790      5.92702916    -12.82694433
  H     16.56319515      7.99470545    -16.29233866
  H     11.80212083     10.43506618     -9.72105070
  O     12.56696208     10.19256076    -10.23566065
  H     15.87895481      8.92299904    -15.26941671
  H     17.60212715      9.98384529    -14.52036858
  O     17.75577782     10.69973007    -13.89258597
  H     18.68547247      9.59542386    -10.96681084
  H     16.97157226     11.26158005    -13.93970592
          69
 Energy    -248.84618873816771     
  O      9.48975219     10.00521415    -10.59981247
  H      9.57307576     10.21879227    -11.53581638
  H      9.85797034      7.27712299     -9.08112671
  O     13.89235182     10.06403813    -17.10755994
  H      9.71982993     10.80667975    -10.10798888
  H     12.40376258     11.65781794    -11.47547051
  O     12.62436432      7.77754185    -11.30849266
  H     13.01559368      9.65383080    -16.99295662
  H     11.23506222     11.90180443    -12.46461087
  O     14.61368910     10.05673609    -14.39993596
  H     14.21600154      9.79199876    -17.96167146
  H     16.34112158     10.50707262    -11.43665757
  O     13.03654012     12.23740415     -7.98708087
  H     11.89545395      7.61402740    -10.69760002
  H     16.07026226     12.03472967    -11.21895993
  O     12.64138040     12.50452607    -16.21946433
  H     12.89026072      8.70073383    -11.16244648
  H     17.24693979      8.76999743    -13.11985460
  O     12.16282301      8.74313558    -13.83678058
  H     14.44048277     10.97485978    -14.14560159
  H     15.83199026      9.36521873    -13.29962788
  O     14.98743222      8.35654510     -7.92956041
  H     14.50341171     10.00627662    -15.35858000
  H     15.75772550      7.96831048    -11.21147912
  O     13.33532826     10.38401228    -10.70725762
  H     13.98418820     12.05236387     -7.89627749
  H     14.38551046      7.39465444    -10.81657324
  O     12.44155647      9.52943000     -8.15823226
  H     12.63424883     11.36588512     -7.86596874
  H     15.03284428     13.90234581    -11.18858966
  O     13.59200713     13.90153409    -10.22946294
  H     13.13765537     12.73236697    -15.42303704
  H     16.32746047     14.53889785    -11.75419821
  O     10.54497361      7.84283180     -9.42132480
  H     13.13421805     11.78871579    -16.63882993
  H     10.00045724     11.02594044    -14.18802989
  O     11.91411490     12.35468001    -11.94627502
  H     13.01279822      9.17940660    -13.98123723
  H     10.86039176      9.97378063    -13.45353069
  O     16.03157994     11.16466401    -10.80213531
  H     12.25603704      8.22253017    -13.02805388
  H     13.23002819     12.62809297    -13.17095335
  O     16.48483198      9.08217563    -12.63783604
  H     15.15731768      8.04354530     -8.83498447
  H     14.68747301     13.14183375    -13.23264937
  O     15.29588690      7.50116280    -10.50701430
  H     15.37382788      7.71264319     -7.34163230
  H      9.47811299     12.11097841    -16.48851364
  O     15.76369886     13.77336263    -11.82226390
  H     14.26508850     10.64401793    -10.68654082
  H     10.96209463     11.99280818    -16.06605641
  O     10.21684943     10.68384105    -13.31204136
  H     13.04448498     10.26115553     -9.79324298
  H     15.91111605     11.24466047     -8.93693615
  O     14.00710250     12.68933857    -13.74496184
  H     13.25423209      9.03440317     -7.98518139
  H     15.49314410     10.24870723     -7.85421924
  O     10.08352353     11.58275123    -15.97512482
  H     11.77251339      8.90523535     -8.46321412
  H     10.84501723     12.56410663    -10.31453213
  O     15.61535052     11.19127028     -8.01839898
  H     13.43266251     13.41850519     -9.40752175
  H     11.20669220     12.47402848     -8.83107783
  O     10.47403764     12.36351917     -9.44696151
  H     12.90794725     13.60241973    -10.84005991
  H     10.83157948      9.84620161    -16.43692617
  O     11.43036296      9.09388788    -16.51971535
  H     10.10168625      8.59721652     -9.85429681
  H     11.58217507      8.78133159    -15.61638917
          69
 Energy    -248.84597298052518     
  O      4.30214535      3.43469687      5.68695057
  H      4.82524678      2.78172262      5.18893536
  H      1.82475521      1.19752571      4.23438285
  O      2.34988404      1.53346250     -0.93235835
  H      4.69951352      3.50433185      6.55081368
  H      3.66933089      1.96879911      0.14899612
  O      0.13913533      2.89305836     -1.89636093
  H      1.67444834      2.03923937     -1.40034070
  H      4.26269130      1.33964045      1.44578255
  O     -1.88355582     -0.08844387      3.60501884
  H      2.39924296      0.64521177     -1.31683832
  H     -2.63297119      4.55819738      2.21657599
  O      3.39168915     -2.27636956      0.84266331
  H     -0.12718400      3.32252496     -2.70471658
  H     -1.26804290      4.07128720      1.67032049
  O      0.68017346     -2.05752874      1.40289516
  H     -0.43581679      2.11370920     -1.78779729
  H     -0.10781033      0.97561519      1.22392599
  O      2.46200355      3.98457842      2.09883953
  H     -1.25888281     -0.76937532      3.86773903
  H      1.29780857      1.02291938      0.52052785
  O      0.08485520      4.29803500      0.64594711
  H     -1.59967041      0.73031912      4.04419338
  H     -1.01140691     -0.22137421     -1.43136624
  O      5.75276337      1.74152496      4.11415224
  H      2.45076952     -2.30090257      1.08215265
  H     -1.70675773      0.82968583     -0.53934602
  O      6.32806014      3.54765609      1.97478349
  H      3.70803815     -3.17667388      0.87760175
  H      3.44957717     -0.00865203      3.05931095
  O      4.52110890      5.24655988      3.43609035
  H      0.70308032     -1.09139416      1.29724956
  H      4.10245823     -0.88779964      1.96428412
  O      1.83575579      0.34592065      3.77922655
  H      0.46364461     -2.21693690      2.32946647
  H      2.88381062     -1.52931030     -0.90642064
  O      4.24441851      2.14283126      0.90762960
  H      3.07837337      4.60345256      2.51755432
  H      1.53080591     -1.46330177     -1.64553583
  O     -2.02507727      3.82446367      2.23265958
  H      3.01352134      3.31301687      1.67832890
  H      0.41381454     -2.30927793      5.03840097
  O      0.80790484      0.66976845      1.27155189
  H      0.16801745      3.88159104     -0.21812081
  H      0.89991879     -1.12242316      4.17283447
  O     -1.34763967      0.68057636     -1.42742198
  H      0.94100525      4.23489687      1.09161395
  H     -2.02954734      0.64937907      2.00571917
  O      4.25820211     -0.12981799      2.53873404
  H      5.36390179      0.99302044      3.64571127
  H     -2.08469918      2.11647572      1.50219881
  O      2.42695579     -1.10414605     -1.64179837
  H      6.10662239      2.32736812      3.43229070
  H     -0.78587614     -2.76469136     -1.48443659
  O      0.32885302     -1.91060940      4.17636077
  H      5.62351438      3.09451989      1.47923099
  H     -0.04761576     -2.15851851     -0.27129959
  O     -1.93230605      1.20678451      1.21750239
  H      7.03901219      3.70531435      1.35924449
  H     -1.38843767      2.96539446      3.82513923
  O     -0.25977436     -2.01771735     -1.20786220
  H      5.23758212      4.81520809      2.95282298
  H     -0.13479317      2.65912134      4.66943765
  O     -1.04952394      2.39050882      4.52297860
  H      4.46873247      4.78616266      4.28280183
  H      1.89005658      3.32618515      3.72988397
  O      1.74671811      2.96175242      4.61550989
  H      1.44394565      0.51162138      2.90638386
  H      2.54424617      3.16220477      5.12068459
          69
 Energy    -248.84515339641467     
  O     13.18248034     11.76368061    -13.35427852
  H     13.09123893     12.70037286    -13.50960214
  H     12.54654424      7.53859207    -16.30172349
  O     14.28263796      6.34619738    -13.88035596
  H     13.48348211     11.36648974    -14.18886577
  H     18.92772234      4.23411703    -15.11864170
  O     18.36995345      7.83694987    -11.99811467
  H     13.83338954      6.40229120    -14.73844383
  H     19.14603421      5.67750705    -14.59448653
  O     19.80584512      8.80080711    -16.26146243
  H     13.77727177      6.84391564    -13.22270287
  H     17.39285511     10.89839953    -16.29081562
  O     11.45161621      9.08422609    -15.97787697
  H     18.33140450      7.86071285    -11.03412065
  H     17.84850841     10.76841752    -14.80630317
  O     15.46137683      9.06301952     -9.18150974
  H     17.75209839      7.14654570    -12.28039409
  H     15.22554142      7.75853748    -14.47201347
  O     13.21980484      7.98147639    -11.90549439
  H     19.27990027      9.59609972    -16.06390289
  H     16.33974957      8.10153106    -15.49054037
  O     17.18071063     10.04830617    -13.18195825
  H     20.50184656      9.07130233    -16.85418746
  H     16.38639149      5.49025385    -10.97656851
  O     15.26751639      7.96578674    -18.03285435
  H     10.59703357      9.18157265    -16.38866030
  H     16.85406891      6.21638752     -9.69763216
  O     13.79471619      6.73299339     -9.47579824
  H     11.31644734      9.17818799    -15.01769824
  H     11.86001879      8.89800711    -12.77252772
  O     17.52621076      7.15728433    -16.55602572
  H     15.24690967      9.59562613     -9.95899279
  H     11.79792528     10.37311968    -13.19880053
  O     13.24322692      6.87464533    -16.34970761
  H     14.80784672      8.35334470     -9.15650163
  H     19.65243681      7.38568935    -13.28202120
  O     18.47294952      5.04470294    -14.90696608
  H     13.28854549      7.50624671    -11.06762560
  H     20.10190236      7.69964695    -14.73406422
  O     18.16547214     10.87162389    -15.71356300
  H     13.83072513      8.72990369    -11.84679482
  H     17.27741794      5.32844299    -13.49003590
  O     15.73392101      8.48937885    -14.84617652
  H     16.64328899      9.51213805    -13.78928614
  H     15.84164117      5.82877108    -13.17413041
  O     16.19172350      5.60174173    -10.03593039
  H     17.72681318      9.40728770    -12.70664178
  H     17.04317700      8.32154113     -9.18048043
  O     11.35129317      9.52501951    -13.30532182
  H     15.45894908      8.90867760    -18.00289728
  H     18.36059206      7.97532919     -8.44537030
  O     20.11129052      7.01834989    -14.05014710
  H     16.07157876      7.54326876    -17.70034730
  H     15.69819295     11.51681734    -18.14290480
  O     16.71991851      5.68913555    -12.79062088
  H     13.31218199      6.20799992     -8.84341655
  H     15.11835636     10.81520487    -16.89481954
  O     17.86721881      7.80559245     -9.24299987
  H     14.61820332      6.25079031     -9.67344247
  H     15.71017108     10.26201683    -12.13087573
  O     15.88202654     10.84074625    -17.49440988
  H     18.32611520      7.69898825    -16.56655960
  H     14.28990563     10.88382939    -12.11890906
  O     14.86222672     10.25428534    -11.66467678
  H     17.75092156      6.34754723    -16.08161994
  H     13.06639254      9.97394737    -15.88831009
  O     13.90381747     10.38976250    -15.64433689
  H     13.89478332      7.21014181    -16.98170186
  H     14.50677419      9.68018318    -15.36937510
          69
 Energy    -248.84484786862046     
  O     13.00782002     10.92186774    -15.37746609
  H     13.59377688     10.19937705    -15.09962979
  H     19.03319858      6.57225847    -13.36305411
  O     15.18685431      6.80918957    -13.12194346
  H     13.56435361     11.71049277    -15.40128662
  H     16.73588665     10.73189385    -16.64011487
  O     17.64644063     10.28900160    -11.78274992
  H     15.96150119      6.99088602    -12.57503894
  H     17.68989009     11.11298351    -15.49020810
  O     12.30954940      6.81731450    -16.09881929
  H     14.41857866      6.99113854    -12.56444730
  H     15.05943472      8.29696421    -14.15563538
  O     14.83478102     10.04192780     -9.04000595
  H     17.71561450     10.58339841    -10.86282624
  H     15.42565638      9.09741227    -15.45049348
  O     13.18507813      7.59707556    -11.35149077
  H     16.84106500     10.69615182    -12.13489698
  H     10.38773929     11.11163008    -13.49702564
  O     15.34853045     11.26802845    -12.92586092
  H     11.59719146      6.26029269    -16.40374755
  H     11.76715415     10.79098505    -14.12204102
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  H     11.30857360      8.69820867    -13.56951167
  O     15.18764981      7.21981391     -9.39899578
  H     14.91397544      9.07992789     -9.04670547
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  H     18.49005162     10.24557834    -13.35821216
  O     14.92725730      5.76371315    -15.67886184
  H     13.72615361      7.33278256    -10.59723809
  H     19.75543690     10.50433585    -14.20049760
  O     19.15299167      6.18419351    -12.47811476
  H     13.19088038      8.56599586    -11.35275286
  H     17.90792661      7.04210029    -11.58640439
  O     17.05368861     11.48069111    -16.11510740
  H     15.24882250     12.02147846    -13.51775027
  H     17.35073679      8.49502208    -11.43895777
  O     14.99738385      9.15678957    -14.58721364
  H     15.29090960     10.48227662    -13.49590656
  H     17.59376159     11.54533817     -8.39465654
  O     11.18470803     10.60463876    -13.36543979
  H     16.30181678      6.24189708    -16.59137894
  H     16.47067073     10.73948149     -9.07070781
  O     11.56321668      7.77247234    -13.65866540
  H     17.34404299      5.95500146    -17.70104723
  H     16.38807622      8.30178787    -17.30982048
  O     18.84360830     10.22691240    -14.26273331
  H     15.93541062      7.30847556    -10.01575859
  H     15.05864799      9.11123954    -17.49768943
  O     17.15496460      7.56424970    -11.27103329
  H     15.43848112      6.56284917     -8.75510279
  H     12.43566329     10.55641283    -11.92429854
  O     17.38916644     11.04137362     -9.17697527
  H     18.18463220      7.17982379    -15.63058673
  H     13.96559494     10.76445129    -11.86123137
  O     15.98372505      9.17275879    -17.21451997
  H     18.69422326      8.37907210    -14.78060627
  H     15.09051122     13.85861801    -15.42885303
  O     13.21261459     10.39720386    -11.37544020
  H     15.06173559      5.96055191    -14.74109976
  H     15.75355354     12.46639622    -15.55951747
  O     14.99210225     12.94425734    -15.17985725
  H     14.03597227      6.07010394    -15.88464649
  H     12.98851036      9.81709053    -17.00611582
  O     13.25241031      9.07718258    -17.56616848
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  H     12.90896928      8.28652953    -17.12925341
          69
 Energy    -248.84483991974059     
  O     -5.47595788     -1.55597711     -4.61688453
  H     -5.25312211     -2.33181399     -5.14487294
  H     -2.46622194     -2.91152752     -3.55446040
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  H     -4.86728953     -0.86294243     -4.90964273
  H      4.49314687     -4.25416867     -1.42796587
  O     -2.84206178     -0.71850043     -1.13083508
  H      1.57846620     -2.88802126      1.49858588
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  H      1.27445081     -4.69647819      0.32040967
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  H      0.78429590     -5.03769034     -1.10062946
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  H     -3.64505447     -1.21084716     -1.34400147
  H      0.62457957     -0.97480725     -5.49023454
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  H     -0.40047844     -2.74959745      0.49685763
  H      1.48761191     -0.81419758     -4.20728946
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  H     -0.06180791     -4.26658956     -2.95880403
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  H      0.59138256     -2.45528976     -7.54942177
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  H     -2.80365460     -1.15346904     -6.67490980
  H     -0.76547554     -2.20528132     -6.85477234
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  H      0.63865223     -3.38745210     -5.15694631
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  H      1.49669143     -3.11867542     -3.90385719
  H     -4.49266390     -4.74431482     -6.09829863
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  H     -3.77560423     -3.92412202     -5.00205948
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  H     -2.76990047     -0.41146509     -4.78124613
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  H     -1.93641076     -0.93102404     -2.76373092
  H     -3.09925189      3.47765983     -4.42742351
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  H      0.33350618      2.21563793     -2.35344482
          69
 Energy    -248.84482818249444     
  O     -1.17225408      2.70434197      0.70154158
  H     -2.06688332      2.88380847      0.37703348
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  H     -0.05484557     -2.55355479      1.80050650
  O      2.37536126     -3.53929074      0.81602396
  H      1.09829635      1.42206232      4.11319638
  H     -0.35758904     -3.66813421      2.82799692
  O     -2.88266682     -1.07914060     -1.01964734
  H     -0.34997981      0.90428076      4.00881729
  H     -2.53145337      0.57842051      2.16735465
  O     -4.02447171      0.22877720      1.15196926
  H      1.48257293     -3.71854405      1.14145729
  H     -1.03600942      0.11227858      2.19301591
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  H      2.85824619     -3.18335114      1.57113042
  H     -2.96644889     -2.53069293      0.33264985
  O     -0.32272816      1.64046009     -1.73494701
  H     -1.93246321     -1.23499092     -1.12686701
  H     -2.01014677     -3.31538811      1.25966749
  O      2.32810555     -2.39137835     -1.63077951
  H     -3.09248984     -0.39901547     -1.67126843
  H     -1.18733080     -4.11762122      5.28823831
  O     -0.14642145     -1.11441351     -1.35181214
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  H     -1.58295935     -2.90223427      4.41799473
  O      0.20119286     -0.79469475      1.37230489
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  H      1.83607985      3.28685538      0.00265350
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  H     -3.01264556      1.43935713     -3.61568127
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  H     -1.96753112      1.41821425     -2.47732277
  H      4.26520275     -2.58207552      3.65706455
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  H      0.55018396      2.02180998     -1.89202635
  H      0.67324916     -2.37498912      4.79173589
  O     -2.91697905     -2.98855865      1.17778582
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  H      1.09287475     -0.88303352      4.70823515
  O     -0.84553589     -3.49192567      4.65553322
  H      2.65583094     -3.02074019     -2.26733781
  H      2.11982955      2.84507197      2.35667568
  O      1.50103072      3.50180861      0.88018732
  H     -0.06510960     -0.17743966     -1.58140677
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  O      3.53041406     -2.28808603      3.12647738
  H      0.68093415     -1.56231829     -1.56716842
  H      3.03395578     -0.65587799     -1.30572176
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  H      3.18446268      0.18520588     -0.02451660
  O      2.44397882      2.39208434      3.15590379
  H      1.11030765     -0.51090679      1.53305907
  H     -3.60603473      2.28493855     -1.19506224
  O      3.23960959      0.23077915     -0.99036228
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  H     -4.02567543      1.92442443      0.23723160
  O     -3.73114738      2.66053975     -0.31513100
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  H      2.68423231      1.75692321     -1.51671105
  O      2.28163048      2.61216412     -1.75803368
  H      3.20898247     -0.71589363      2.25271806
  H      2.89844417      3.05825876     -2.33123307
          69
 Energy    -248.84472749734255     
  O     14.35826885      9.53193723    -10.62465446
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  H     13.01795236      7.17294375     -9.53570516
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  O     16.65364390     10.84874505    -13.54622713
  H     13.12079936     11.42388904    -16.01983979
  H     19.51041882      6.95633862    -15.15574676
  O     13.64082826      4.81218325    -13.59002733
  H     14.00347685     10.53700477    -16.91538614
  H     14.41105914     12.97229613    -15.14437564
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  H     13.15047558     13.84308167    -14.92082659
  O     16.07582715     12.67348931    -15.61960089
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  H     12.93564721      9.31859991    -15.21544801
  O     15.92542015      7.56527618    -11.89840280
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  O     13.91054995     10.92286397    -12.94757970
  H     13.11853705      4.12007747    -13.98551244
  H     16.20527669     10.32127586    -18.34146957
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  H     16.26216498      9.88160326    -16.86056778
  O     18.38442354     10.65398223    -11.31643337
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  H     16.03088196      4.46040735    -11.22751476
  O     12.99487721      8.77491768    -14.41576958
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  H     14.70829508      4.74447990    -12.03163420
  O     15.84642695     10.50694380    -17.47750716
  H     13.55343525     10.15619767    -13.42198683
  H     18.05363504      6.48747185     -9.24897719
  O     12.06318658      6.79207538    -12.64852163
  H     18.95672109      7.86884380    -12.84386334
  H     18.80667738      6.75900442    -10.56871110
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  H     17.68523015      7.84370267    -11.93837560
  H     14.73473583      6.16976813    -14.38291462
  O     15.20163651      4.96205626    -11.23288069
  H     18.58301309      9.72023581    -11.50994356
  H     15.48253548      7.25506971    -13.58384548
  O     18.64251856      6.08337677     -9.89820034
  H     19.22172854     11.10061459    -11.21925361
  H     15.80564377      9.84884715     -9.58027421
  O     15.18268999      7.01811171    -14.47680406
  H     18.08512994      4.58425614    -10.63370590
  H     17.28327817     10.22485047     -9.79881283
  O     16.67256282      9.86097577     -9.14866203
  H     18.16902204      3.05510926    -10.78602037
  H     16.30165466      8.18016317    -15.26349081
  O     16.90049334      8.90205681    -15.50463305
  H     11.60328323      7.77478617     -9.34478859
  H     16.85409724      9.56503453    -14.79783836
          69
 Energy    -248.84399585303919     
  O     -7.00720485     -3.32463200      5.99323660
  H     -6.18585868     -2.90705434      6.27679010
  H     -6.78631436     -1.81638651     -0.09199507
  O     -8.97530726     -2.31020705      2.95455253
  H     -7.71916669     -2.71640767      6.24014250
  H     -3.97764899      0.87178208      2.13496619
  O     -7.21179195     -4.41877155      3.57026778
  H     -8.29997327     -1.63780975      3.14372429
  H     -3.02812078      1.82762008      2.90010267
  O     -4.75563441      0.65621320      0.47632479
  H     -8.55352200     -3.15604066      3.14689091
  H     -6.25274623     -1.17402777      3.07379483
  O     -6.53483590      0.21861146      5.99911257
  H     -7.12750651     -4.07268149      4.48016844
  H     -7.01013656      0.11792760      2.62865352
  O     -6.09596756      5.05964638      1.72231817
  H     -7.26382015     -5.36751045      3.63956233
  H     -4.03019740     -1.91729179      7.34474783
  O     -9.78273996      0.89513621      0.32890620
  H     -4.91352568     -0.22955695      0.13546953
  H     -4.19934300     -1.68569735      5.82277791
  O     -8.83859185     -1.30489445      6.58173666
  H     -5.63664235      0.98622060      0.72273143
  H     -1.40374274      3.88522647      2.72781672
  O     -3.52054178     -1.44120119      4.25617030
  H     -5.88043528     -0.39996561      6.34955940
  H     -2.89475901      4.04399487      3.11590112
  O     -4.22683371      3.47643672      0.49031100
  H     -6.69987753     -0.05273184      5.08143473
  H    -10.23542304      1.03153357      3.52559349
  O    -10.62464680     -0.64209769      4.39921285
  H     -5.48458187      4.48936861      1.22333233
  H     -9.38661793      2.29801535      3.18854924
  O     -5.82691765     -1.94235458     -0.20343489
  H     -6.25503462      5.82787058      1.18009920
  H     -5.42316188     -2.51757323      1.51818733
  O     -3.63077042      1.08199972      3.01315077
  H    -10.35842958      1.37540515     -0.25973977
  H     -5.90430673     -3.34219210      2.75880584
  O     -6.91806308     -0.52542465      3.34215943
  H     -9.99724199      1.18898296      1.23349182
  H     -9.00935632     -0.83075634      0.14314924
  O     -4.68332760     -1.79531368      6.66158521
  H     -9.50409663     -1.02797375      5.94293477
  H     -8.74754760     -1.98644030      1.11626464
  O     -2.27144580      3.51969712      2.58111966
  H     -8.13644439     -0.64203401      6.53006334
  H     -4.88871422      5.06101432      3.25510841
  O    -10.10829394      1.73705715      2.87977575
  H     -3.45580608     -0.55202426      3.88376806
  H     -4.67558352      4.04806747      4.39154974
  O     -5.30117303     -2.64558562      2.46752332
  H     -3.99921209     -1.96876862      3.60281637
  H     -4.88146868      1.90475276      4.12368704
  O     -8.50112094     -1.64396612      0.24716952
  H     -4.34322446      2.53972749      0.29148055
  H     -5.82453383      1.75324211      5.34081240
  O     -4.25635935      4.78966625      3.93136092
  H     -3.45969799      3.52437010      1.07527349
  H     -8.03535213      1.23410007      0.84158851
  O     -5.47436906      2.39581316      4.70985699
  H    -10.16249171     -1.30993358      3.86563625
  H     -7.36200695      2.10817646      1.93636588
  O     -7.20333422      1.39705864      1.30064663
  H    -11.53280163     -0.92899087      4.46883330
  H     -7.28227179      4.01665297      2.74793262
  O     -7.67201423      3.28455508      3.24466966
  H     -5.71002248     -2.43842364     -1.00967077
  H     -6.98164362      2.98010905      3.85213268
          69
 Energy    -248.84346282095032     
  O     10.28613680      5.95957734    -13.83072948
  H     10.50557697      6.69651302    -13.24510668
  H     15.80873123      5.24202985    -11.24278465
  O     14.79604516      2.54926731    -10.48658988
  H     10.83613261      6.07781912    -14.61477211
  H     15.88225026      8.74094948    -13.09074371
  O     16.06905196      9.67596421    -11.56853796
  H     15.07602287      1.92331007     -9.82262366
  H     16.59093224      7.64183253    -13.93437126
  O     16.74725621      6.96895222     -8.81992406
  H     15.36980817      3.32857926    -10.39610030
  H     14.29798771      5.36238519    -13.06532558
  O     10.88458274     10.55925127    -11.40106467
  H     15.53497654      9.25734380    -10.87990635
  H     15.10965784      6.69518658    -12.93956341
  O     12.24695326      3.88432061    -10.30547530
  H     15.73414533     10.57470551    -11.67571143
  H     10.67410095      4.39590274    -13.16424744
  O     13.11022852      8.54210042    -14.42238310
  H     15.97671369      7.54055618     -8.97903912
  H     10.39190592      2.87707172    -13.07280538
  O     15.43653712      2.57887122    -13.29889227
  H     17.00533791      7.10954593     -7.91247175
  H     14.99350942     13.01633138    -12.08558414
  O     13.22601338     10.86784286     -9.76518342
  H     10.96273342      9.62737234    -11.66924347
  H     14.07654474     11.84095447    -12.50376459
  O     18.04194187      6.67198487    -13.58955095
  H      9.95582082     10.73135498    -11.27049738
  H     12.57471036      5.66100675    -10.26665101
  O     17.91274187      3.90225193    -12.67906956
  H     11.78279555      3.71342431    -11.13491023
  H     13.54808302      6.38551660    -11.21455054
  O     16.36009889      4.81629485    -10.56544905
  H     13.05913541      3.36524962    -10.34346716
  H     17.66318933      8.69293412    -11.29630104
  O     15.75730704      8.12533379    -13.82805171
  H     12.83794743      7.82366534    -15.00532935
  H     17.92514874      7.57197752    -10.29604168
  O     14.72969064      5.95989440    -12.44220495
  H     14.06573759      8.44149103    -14.29567552
  H     14.07679621      9.32692258     -9.43422195
  O     11.04327858      3.54372468    -12.87056245
  H     15.17282532      2.41240433    -12.38516209
  H     13.91872665      7.80931879     -9.74643895
  O     14.75435359     12.12126524    -11.86236921
  H     16.32164739      2.96067447    -13.24948878
  H     12.04031375     11.08602650    -12.83988587
  O     12.89535781      6.53917803    -10.51333501
  H     12.37269791     10.78560318    -10.20880068
  H     12.86569763     10.36300293    -13.92806198
  O     18.26084026      7.95479599    -11.11307588
  H     13.76338366     11.41865530    -10.34758706
  H     12.03333147      8.21152598    -12.97830960
  O     14.55784857      8.48758090     -9.48575620
  H     18.24523540      7.07534828    -12.73103710
  H     11.84982142      7.51588124    -11.58994785
  O     12.76817133     11.20393666    -13.46349517
  H     18.02932128      5.72163844    -13.44147675
  H     12.83006772      5.45989856    -15.31284382
  O     11.39521417      8.03045062    -12.27224106
  H     17.50338679      4.22134246    -11.85817530
  H     12.44320343      5.95754507    -16.72361671
  O     12.37714822      6.17161846    -15.79623705
  H     18.76788904      3.55109383    -12.44019104
  H     12.65081376      3.88104696    -13.74152642
  O     13.44234615      4.19775957    -14.19690981
  H     16.53440252      5.48020488     -9.88837065
  H     14.15199189      3.56029928    -14.02422484
          69
 Energy    -248.84341841537645     
  O      1.88195213     -1.49926001      4.44514140
  H      1.84128719     -0.53455917      4.45392514
  H     -1.46033747      1.79741726      1.87377217
  O      2.48106449      1.24734265      7.35317375
  H      1.39512181     -1.80626381      3.66777659
  H     -1.16064203      2.20866957      4.11754426
  O     -3.08976534     -3.82756732      6.62034490
  H      2.61356093      0.36430287      7.73222832
  H     -1.66384901      1.09194083      5.07324578
  O      1.45920794     -5.37266559      6.02659193
  H      3.12773231      1.81739954      7.76429197
  H     -0.99036097      0.00135686      0.66905863
  O      0.33929572     -2.33282582      2.32177000
  H     -2.25314373     -4.03444953      7.06138695
  H     -2.17729574     -0.50059843      1.51003793
  O      0.01001081     -4.71054920      3.84086861
  H     -3.40036190     -2.99880194      7.00098303
  H     -0.62244959      2.15313402      6.82404599
  O      3.04512687     -3.03867305      6.40706011
  H      1.74632101     -6.27840682      5.94849615
  H      0.64053030      1.86685920      7.66039652
  O      2.96154503     -1.28134895      8.43695791
  H      0.96651384     -5.16355809      5.21181839
  H      2.45956258      2.55211302      1.86715927
  O      0.48544937     -2.37152703      9.49256964
  H      0.60825918     -1.75246610      1.60001750
  H      1.81939748      1.66396243      2.95463793
  O     -2.36737081     -1.88150195      2.81330086
  H     -0.59632454     -2.14710072      2.49192124
  H      0.47505159     -1.70179698      5.61957103
  O      0.95021375     -0.31280046      0.46032855
  H      0.24369639     -4.00360305      3.22730813
  H     -0.37232949     -2.61903616      6.55400035
  O     -1.03652041      2.52015101      2.36135841
  H     -0.95301689     -4.69292465      3.90492447
  H     -2.96181358     -4.19094453      4.93127820
  O     -1.06809347      1.85023817      5.01308084
  H      2.59504094     -3.88754775      6.32821377
  H     -3.45994461     -5.08469621      3.77246638
  O     -1.86898222      0.24606321      0.98080176
  H      2.77205916     -2.52214959      5.63444940
  H     -1.00240996      0.52351881      8.34666228
  O     -0.29872442      2.07096714      7.73220923
  H      3.67233570     -1.48493313      9.04044367
  H     -0.83777002     -0.84962772      7.66893246
  O      1.82479972      1.85218494      2.00116660
  H      3.01355348     -1.93757883      7.71770316
  H     -4.45733992     -0.92927576      8.24197960
  O     -0.31913252     -1.73725511      6.16320418
  H     -0.16201077     -1.66235128      9.37989209
  H     -2.92363785     -0.90478143      8.05292115
  O     -2.82606885     -4.40658889      3.99101860
  H      1.32292857     -1.99984490      9.19252904
  H     -0.12619298     -3.64903499      8.36013028
  O     -1.24147495     -0.40992013      8.43312886
  H     -2.61945992     -2.77069479      3.09168262
  H      0.18971251     -4.65804554      7.19926249
  O     -3.75781304     -1.21404052      7.65986522
  H     -2.52371267     -1.31411637      3.58240375
  H      2.00590608      1.31060173      5.55253363
  O     -0.50591105     -4.13026128      7.60939886
  H      1.35998564     -0.27548234     -0.40079948
  H      0.65602736      1.43585521      4.79528514
  O      1.60248974      1.25801840      4.67768155
  H      1.29395843      0.43981564      0.96694030
  H     -1.75181242     -0.98920003      5.46034487
  O     -2.55166450     -0.50633188      5.19175210
  H     -0.10720461      2.48020836      2.11734865
  H     -3.18106204     -0.63775483      5.90895238
          69
 Energy    -248.84337452407686     
  O     -4.05804169      0.99089484      1.14231146
  H     -3.88736467      1.04112468      2.09187131
  H      4.12019158      2.22015438      2.29893894
  O      3.96043611     -1.66079789      3.79338066
  H     -3.79346468      1.84556920      0.78024730
  H      4.40137910      2.54841675     -1.69031793
  O     -1.67988972     -0.30027108      0.62133417
  H      4.15768918     -1.97256022      2.89124311
  H      2.87271250      2.78042120     -1.71450046
  O     -1.03883275      1.77281971     -1.18281289
  H      4.56061604     -2.11281763      4.37932196
  H     -0.03368192      0.94012509      3.13053723
  O     -2.81484555      3.46107760      0.21908665
  H     -1.26410186     -0.14604190      1.48111113
  H      0.02724931     -0.62418294      3.25122016
  O      4.47262491     -0.54761130     -0.84257122
  H     -2.59674309     -0.00510854      0.70266110
  H      1.48548140     -0.47247703      0.25426005
  O      3.21836194      0.18653703     -3.28724070
  H     -1.67274450      2.43782255     -0.88569721
  H      2.97856940     -0.10145245      0.07623901
  O      2.05286821      4.43243072      1.44344734
  H     -1.19686369      1.01045814     -0.60734079
  H     -0.48981504     -1.39876536     -0.09385149
  O      4.28027574     -2.50980612      1.23405849
  H     -2.39659516      3.50435348      1.09744633
  H      0.38214823     -1.36872348     -1.37639817
  O     -1.75874888      3.40361524      2.73323292
  H     -3.28784674      4.28058029      0.10034340
  H      0.57154815      2.47004126     -0.80070087
  O      1.66584508     -3.60050372      0.93985346
  H      4.09023385     -0.46063197     -1.72570404
  H      1.77078545      1.80333131     -0.10340005
  O      4.47833762      2.93664434      1.75644737
  H      5.00212498      0.24773103     -0.69119006
  H      3.47673428      0.08238476      3.43423034
  O      3.64700068      2.66156096     -2.28217118
  H      3.50186647      0.09948410     -4.19390891
  H      2.71643870      0.57692324      2.18162643
  O     -0.56388294      0.13339110      3.12819168
  H      3.37428645      1.11272095     -3.02924599
  H      6.62505741      2.21527099     -0.42565299
  O      2.15979399      0.16446057      0.51734142
  H      1.82852235      5.32783459      1.20526515
  H      5.30759979      2.32728783      0.37673796
  O      0.32028051     -1.75244674     -0.48938103
  H      1.81094708      3.86647558      0.68871927
  H      1.69910499      1.98272635      3.36150581
  O      1.47545716      2.63540114     -0.50224806
  H      3.43528842     -2.94379568      1.05490732
  H      1.26316377      3.27891031      2.67464043
  O      3.10133699      0.86918744      3.02341351
  H      4.46041950     -1.93610318      0.47973849
  H      2.04174610     -1.89820895      3.61765630
  O      5.70841240      1.95306866     -0.42854076
  H     -0.84188034      3.20077574      2.95429672
  H      1.22371394     -2.62200517      2.54645418
  O      0.92866675      2.55059269      3.21450438
  H     -2.28782540      2.75183747      3.21098622
  H     -3.34588295      0.82047394      4.69179938
  O      1.14156299     -2.01649566      3.29268612
  H      1.16511316     -3.00530973      0.35447299
  H     -2.18887750      0.66566462      3.67955065
  O     -3.03803432      1.11266497      3.83784168
  H      1.37533239     -4.48721645      0.74290215
  H      1.33895671     -0.01692756     -2.96773464
  O      0.42764729     -0.25449692     -2.75738580
  H      3.77021940      3.58653568      1.68346162
  H     -0.02555052      0.54610497     -2.46971163
          69
 Energy    -248.84325787808939     
  O     14.57991815     11.15792104    -15.47873704
  H     15.33065853     11.23147280    -14.87846973
  H     19.59465622      7.61254984    -16.68743339
  O     13.52011525      5.69369039    -14.18237496
  H     14.95827585     11.02374074    -16.35576449
  H     16.19576022      7.50277571    -16.39120262
  O     17.59403184      6.18950290    -12.32360068
  H     14.38100270      5.25459642    -14.14199092
  H     16.82644261      6.25491629    -15.73056634
  O     19.86677029      6.42269331    -18.07217043
  H     13.40064823      6.05483491    -15.06768859
  H     12.92659961      8.93359830    -13.95365990
  O     17.26605676      5.85467295    -18.60249271
  H     17.16870851      7.03681766    -12.52034064
  H     13.32021309      9.95361342    -15.05370656
  O     13.54498706      6.54859723    -10.06329945
  H     18.47627399      6.23248415    -12.71028307
  H     14.71934467      1.99467319    -11.25940230
  O     16.26419933      8.46078487    -13.21859752
  H     18.94866354      6.23739384    -18.34190311
  H     14.03113197      3.34694625    -11.57390083
  O     17.08365041      4.48317878    -16.15067166
  H     20.39589530      6.39699344    -18.86440923
  H     12.82941156      7.94039537    -15.99048878
  O     12.66332101      4.42184432    -11.79501432
  H     17.08768054      5.23618910    -17.87977912
  H     12.11319609      6.99524462    -16.98719603
  O     18.13609100     10.61708232    -16.32341251
  H     16.57934328      6.53108713    -18.54552119
  H     19.84829157      7.18425485    -14.43233323
  O     19.81852009      4.58437828    -15.84054089
  H     14.42733212      6.13605365    -10.05582957
  H     20.88733676      6.82861809    -13.34513972
  O     19.28134935      8.07149565    -15.89625324
  H     13.32324364      6.74321627     -9.15688746
  H     16.53130463      4.97003129    -13.21503574
  O     16.67394670      7.20127385    -15.60740393
  H     16.34440357      8.03702106    -14.08815001
  H     15.63306836      3.72583862    -12.98713938
  O     12.72922050      9.21188557    -14.85543481
  H     15.34966527      8.34794260    -12.92323297
  H     15.69670780      4.37658895    -10.53493589
  O     14.89420422      2.90181560    -11.49300049
  H     16.64810482      4.22345520    -15.32851520
  H     16.61281009      5.58478421    -10.82171206
  O     12.95818259      7.17521451    -16.58259765
  H     18.03772376      4.37410251    -16.01682905
  H     15.44077842      8.79196844    -18.00767525
  O     20.05130226      6.55770812    -13.71771937
  H     12.78613709      5.14450283    -11.16662610
  H     14.45811022      7.64683717    -17.56607997
  O     15.93372698      4.35100499    -13.65780044
  H     12.76359858      4.81335701    -12.67329866
  H     13.56084955      7.58032569    -11.61054901
  O     15.93591347      5.25603268    -10.21626729
  H     17.81866175     10.85202645    -15.44148632
  H     13.58799119      7.13445708    -13.09253436
  O     15.33281905      7.83458733    -17.93271483
  H     18.68063489      9.82853106    -16.20961920
  H     16.72580210     10.14035796    -13.51305295
  O     13.66534308      7.90742320    -12.51174945
  H     19.98945830      5.14106282    -16.61125713
  H     17.09922781     11.55519356    -13.01080305
  O     16.92684016     11.04763221    -13.79945881
  H     19.99064406      5.13549278    -15.06825105
  H     16.04422582     11.20100153    -18.63907033
  O     15.95402762     10.56675986    -17.93259617
  H     18.35101696      7.81658446    -15.79166717
  H     16.78284995     10.59593347    -17.42105341
          69
 Energy    -248.84319184510741     
  O     10.18556411     12.37009733     -9.60326301
  H      9.23609219     12.42767900     -9.52117937
  H     14.02540770     13.29558838    -11.31145191
  O     11.67083549      9.88462971    -16.72453300
  H     10.38859885     12.62110690    -10.51713797
  H     15.56143973      7.83174320    -11.73925293
  O     10.49778762      8.84180569    -10.38400664
  H     11.39115253      9.47703356    -17.53921559
  H     16.44243210      7.86857480    -10.48479146
  O     12.94570696      9.20966655    -14.30569287
  H     10.86910920     10.22514359    -16.28782988
  H     13.45520357      8.15093992    -12.92056959
  O     14.12993348     12.18174256     -7.85044795
  H     10.92663386      7.97862265    -10.32985824
  H     13.76872529      8.71347969    -11.51565951
  O     12.95916224     12.34662914    -15.98929944
  H     10.88255002      9.37306470     -9.67889737
  H     15.35190347     14.89703286     -9.79429905
  O     10.68965161     10.09075670    -12.82814892
  H     13.60017503      9.91991926    -14.22909616
  H     15.79411663     13.47209212    -10.20608978
  O     13.35496996      7.97200548     -8.16688355
  H     12.55390016      9.28560027    -15.18360102
  H     12.72196847      6.91646862    -10.96001828
  O     13.83112687     10.27542927    -10.68533374
  H     14.30244550     12.91029344     -8.45749512
  H     12.01618033      5.61409817    -10.50469956
  O     12.01544822     10.59684738     -8.57700251
  H     14.86657568     11.56913760     -7.98605829
  H     17.92704043     10.19448531    -13.21512211
  O     17.01050221     12.28843966    -10.62791691
  H     13.69593178     12.07576390    -15.42679423
  H     16.89149965      9.54649665    -12.27482150
  O     13.65048679     12.72497082    -11.99407848
  H     12.61457376     11.53508471    -16.38241689
  H     10.78722286     13.19796712    -13.12028702
  O     16.45164512      8.04990395    -11.43129206
  H     10.56071939      9.61323159    -11.99650733
  H     10.81322102     11.81173425    -12.43060826
  O     13.72002812      7.88939752    -12.02916551
  H     11.48440873      9.74489064    -13.25348878
  H     15.31442807     10.32762421     -9.57333318
  O     15.02471383     14.01594819     -9.95474331
  H     12.87961710      7.41233741     -8.79548558
  H     16.20289552      9.48832777     -8.63878225
  O     12.14116165      6.53183938    -10.27971189
  H     12.86577263      8.79944252     -8.11607820
  H     14.39845375     11.89952587    -13.37004353
  O     17.09441023     10.35479535    -12.77678453
  H     13.81347536     11.10302776    -11.18182395
  H     15.59752127     10.98223352    -13.71387948
  O     10.89811791     12.76506008    -12.26499553
  H     13.15417776     10.35136839     -9.99986526
  H     11.59550192     13.22066113    -15.30853078
  O     16.00499942     10.39526016     -8.89473819
  H     11.32880358     11.21733395     -8.86628596
  H     10.61128236     14.40863374    -15.41242645
  O     14.75813618     11.31391442    -14.05434218
  H     12.71397533     11.14786617     -8.18805514
  H     16.37842269      7.00260479     -7.94435024
  O     10.77795303     13.59883893    -14.93772679
  H     17.08642953     11.75983401    -11.42984877
  H     15.08964159      7.72617992     -8.39589016
  O     16.04137452      7.62972735     -8.57842992
  H     16.85211711     11.64500299     -9.92102969
  H      9.80880114     10.59402120    -14.40336003
  O      9.63767347     10.96509529    -15.28081748
  H     12.69441070     12.85950072    -12.03087041
  H      9.84318476     11.90511860    -15.20916495
          69
 Energy    -248.84312328413074     
  O     14.54049667     10.33515418    -15.52546466
  H     13.83170382      9.70111818    -15.38404698
  H     16.08906669      2.28104013    -17.93324783
  O     14.07805774      3.92208316    -16.15239943
  H     14.94962666     10.12698340    -16.38009611
  H     17.39319290      7.86432762    -16.31705096
  O     17.94730279      7.00465042    -12.11568502
  H     14.18139500      3.98652966    -15.19410381
  H     18.64243804      7.68232642    -17.20377204
  O     19.23246556      5.99695933    -17.88857507
  H     13.80821782      4.80283406    -16.44767909
  H     15.29787361      6.75513435    -15.98222096
  O     16.68504858      5.55569823    -19.16032648
  H     18.36316321      7.61918885    -12.73956896
  H     15.95985240      7.32641909    -14.69230015
  O     13.78491259      5.93044092    -10.29216572
  H     17.83385625      6.14784204    -12.55217726
  H     11.54529530      8.66117396    -14.94899098
  O     14.44786135      4.43403277    -13.41336959
  H     20.12273069      5.68445744    -18.02771013
  H     12.62197598      7.82603795    -14.22351202
  O     15.63272793      8.17781606    -13.06506265
  H     18.86785103      5.48688088    -17.14526298
  H     16.79902323      4.53024352    -10.14067487
  O     17.80194617      4.68101233    -15.93169612
  H     17.58422391      5.76316266    -18.88105753
  H     17.11940952      3.81316514    -11.46129526
  O     14.15223206      3.14468738    -10.92642512
  H     16.46574155      4.71449714    -18.74024562
  H     13.16091468      7.23375358    -16.34313447
  O     18.69437261      8.91410812    -13.97839718
  H     14.69473947      6.17009414    -10.07828086
  H     13.90777678      6.95871376    -17.70145241
  O     16.17075726      3.18611530    -17.64698686
  H     13.78649313      4.96984670    -10.38572349
  H     17.62387257      4.41501009    -14.09184778
  O     18.14020071      8.34196570    -16.71245926
  H     14.01387780      5.28682517    -13.27973022
  H     16.29407894      4.53684851    -13.31347068
  O     16.13610917      6.85068355    -15.51285555
  H     14.25132434      3.89889504    -12.63362638
  H     17.15966187      6.69067450    -10.52939561
  O     12.43589388      8.32905187    -15.03451297
  H     16.40394458      7.77663418    -12.64347774
  H     16.98187322      6.86561167     -9.00734263
  O     16.79099386      3.66236161    -10.56417787
  H     15.84449559      9.10794689    -13.21297789
  H     15.45418383      6.77406228    -19.28084821
  O     13.68480833      6.59031865    -16.83670428
  H     17.30754239      4.05116913    -16.47327073
  H     14.43071863      7.51698617    -20.17242379
  O     17.25707750      4.52637957    -13.20686792
  H     17.20161537      5.42459771    -15.75449560
  H     13.23854238      6.64466328    -11.88336143
  O     16.62972264      6.40652951     -9.76638519
  H     13.86099901      2.31395166    -10.56163455
  H     14.09122566      7.45307738    -12.87798812
  O     14.74821773      7.44537238    -19.27624325
  H     15.10476304      3.22034492    -10.73617420
  H     16.42166333     11.63393723    -13.35131136
  O     13.26423358      6.94771293    -12.80189443
  H     18.69545564      8.74214904    -14.92845873
  H     15.78574667     10.69440098    -14.40260033
  O     16.46561921     10.75018830    -13.70503746
  H     18.06861077      9.63989503    -13.86235857
  H     15.51466341      8.95221461    -18.39286591
  O     15.87754350      9.64506773    -17.82916948
  H     15.37239439      3.39149706    -17.12521310
  H     16.75265433      9.33903839    -17.55792033
          69
 Energy    -248.84312089471609     
  O     -7.65325149     -1.50990363      6.06373030
  H     -6.69176039     -1.59799738      6.09656077
  H     -4.32583196      0.79429343      1.11155280
  O    -10.56787637     -1.34264703      2.69075126
  H     -7.85401842     -0.60128612      6.31342887
  H     -6.56354186      0.66385290      4.04842322
  O     -8.62197286     -2.97123749      3.99069211
  H    -10.49542316     -0.48421954      3.12598760
  H     -6.92924031     -0.38991995      2.96008541
  O     -5.64525531      0.99479367     -0.16402676
  H     -9.97223209     -1.93348285      3.16692464
  H     -4.48988988     -1.62107240      5.02791756
  O     -5.46794214      1.07314714      5.61346576
  H     -8.32320359     -2.44802761      4.75591784
  H     -4.14033867     -2.08247450      6.46472264
  O     -4.89573482      5.55708367      1.01865300
  H     -8.85860949     -3.83304322      4.32376514
  H     -0.84420203      2.70906976      0.56840202
  O    -10.00436477      2.23777744      0.79014394
  H     -6.10639691      0.16994405     -0.35416667
  H     -1.96848539      3.36749767      1.40493308
  O     -4.12997800     -1.51646950      3.35472051
  H     -6.27891274      1.55708938      0.30782757
  H     -9.01306636      2.74715221      4.42955179
  O     -4.20575170      3.42373326     -0.55730182
  H     -6.23998585      1.22527171      6.17381164
  H     -7.80969026      3.72880871      4.39147156
  O     -9.82822440      1.31403517      3.49333579
  H     -5.12810691      0.19381741      5.82268830
  H     -6.85334376     -1.94114859      1.32611712
  O     -7.20564059     -1.38115065     -0.41273194
  H     -4.71448379      4.81284146      0.41736974
  H     -7.34079253     -2.48915378      2.72122198
  O     -3.63934239      0.79793966      1.79315448
  H     -4.93399982      6.34076006      0.47656481
  H     -9.86946444      0.41064153      0.24855500
  O     -7.14141026      0.48903609      3.29788730
  H     -9.05297233      2.40250526      0.91129098
  H    -10.03368034     -0.91508035      1.01407034
  O     -4.78515865     -1.59792023      5.95738880
  H    -10.37377622      3.01765560      0.38485119
  H     -8.29682343      1.57445317      7.68708911
  O     -1.77643226      2.66233608      0.76067594
  H     -3.83736679     -0.74620154      2.85187229
  H     -8.13616725      2.04700514      6.22604745
  O     -8.40400760      3.25515500      4.98323936
  H     -4.93008336     -1.83271513      2.91124064
  H     -3.12579666      3.96898275      3.13024170
  O     -6.61630047     -2.05158001      2.25541253
  H     -4.70370112      2.59903827     -0.61343820
  H     -3.31828171      5.06105634      2.06792544
  O     -9.66205324     -0.52923401      0.20676823
  H     -3.32177902      3.17092648     -0.26215968
  H     -4.11480099      2.02470677      3.08497495
  O     -7.92883121      1.32324857      6.84399814
  H    -10.02106377      1.64146687      2.60478219
  H     -4.61742940      2.19096320      4.53935923
  O     -2.64084882      4.54527093      2.52138583
  H     -8.93411150      0.93893233      3.46604821
  H     -7.28134209      1.70665702      2.04400814
  O     -4.30020316      2.68238124      3.76940418
  H     -8.11405171     -1.07071593     -0.23787807
  H     -7.06401053      3.22285722      1.88870519
  O     -7.36318777      2.43880198      1.41152749
  H     -7.25147831     -1.95150789     -1.17536117
  H     -5.68504065      3.79349890      3.41269826
  O     -6.39945294      4.37418247      3.10645444
  H     -2.89479822      1.29504857      1.43167733
  H     -5.98741725      4.96434336      2.46247882
          69
 Ord_Energy   -248.843033    
 O    1.03567791       5.93969536       3.48675251    
 H    1.31953120       5.01941252       3.43077064    
 H    1.00495875       6.28378201       2.58760953    
 O   -1.28515506       7.39544392      -1.59703720    
 H   -1.22976506       6.48060274      -1.92956126    
 H   -1.12683737       7.96866894      -2.34232140    
 O    1.67588031       3.13659334       3.60368109    
 H    1.53395343       2.66511369       2.76287341    
 H    2.53268409       2.87159920       3.92762852    
 O   -3.64178324       6.44360685     -0.308992147    
 H   -2.93914127       6.91396189     -0.772965133    
 H   -3.63604760       5.53593779     -0.650021017    
 O  -0.941317797       2.60815144       4.42295647    
 H   -6.87116990E-03   2.80103803       4.27034330    
 H   -1.24851513       3.13113499       5.17442989    
 O   -4.46640158       3.04847240       5.24785948    
 H   -3.71868157       3.47790527       5.67873907    
 H   -4.70615768       3.60657835       4.49539471    
 O   -5.41703224       1.73185503       1.54812813    
 H   -4.59112215       1.61416101       1.05667043    
 H   -5.31619167       1.23280013       2.36896515    
 O   -1.26896918       4.76076317      -2.23125744    
 H  -0.816163003       4.43219900      -1.44169033    
 H   -2.16172171       4.39587259      -2.17947268    
 O   -2.87839484       1.81399560      0.364249527    
 H   -2.23688436       1.09525526      0.412873089    
 H   -2.63271427       2.43523192       1.06420088    
 O  -0.938537657      -8.84865001E-02   1.02499831    
 H   -1.31402218      -5.90296797E-02   1.92483401    
 H  -0.783109546      -1.00581443      0.817523479    
 O   -3.78039551       3.84123588      -1.33245301    
 H   -3.39315510       3.09322596     -0.857937753    
 H   -4.73764086       3.74337435      -1.23200250    
 O   -2.11693978       4.28487968       6.31797314    
 H   -1.87306952       5.08545446       5.81735039    
 H   -1.97480869       4.48315477       7.23942900    
 O   -2.34487128       6.59738636       2.18431759    
 H   -2.86628437       6.64434528       1.37323308    
 H   -2.19906473       5.65241146       2.33123040    
 O   -2.23811674       3.76844692       2.27138281    
 H   -1.80682504       3.37088203       3.04051352    
 H   -3.17097902       3.92806292       2.48072839    
 O   -6.04835844       6.07042885      0.973644614    
 H   -5.25514364       6.32807255      0.475185633    
 H   -6.59658241       6.84822226       1.04058599    
 O   -1.34834731       6.37259388       4.81804991    
 H  -0.449855655       6.25547600       4.47258186    
 H   -1.85904431       6.69640827       4.06828880    
 O   0.118008561       6.90443277      0.879020631    
 H  -0.169984385       7.22390032       1.55956196E-02
 H  -0.678948700       6.93090200       1.43011832    
 O   -2.02256250      0.215156674       3.47265077    
 H   -2.96420503      0.265044600       3.67197609    
 H   -1.61428142      0.979304790       3.90278959    
 O   -6.40278435       3.56106067     -0.477079064    
 H   -6.29052973       2.86042142      0.177602991    
 H   -6.48380852       4.38415623       1.92195307E-02
 O   -4.79092741      0.619644761       4.08216476    
 H   -5.30347061       3.97172496E-02   4.63971090    
 H   -4.67528009       1.45156050       4.57588720    
 O   -4.91504908       4.18895292       2.73378372    
 H   -5.32942772       4.91221380       2.24998069    
 H   -5.19919252       3.36369562       2.31256247    
 O    1.09049034       1.92551315       1.26737821    
 H   0.732578754       2.68006206      0.778177559    
 H   0.469611704       1.19869483       1.14346576    
 O  -0.210842684       4.19120073      0.318199456    
 H    6.06985912E-02   5.10511589      0.478496701    
 H  -0.930202961       4.02390099      0.940321445    
          69
 Energy    -248.84275209459386     
  O     18.28839566     10.80061293    -14.27046227
  H     17.59784244     11.47003872    -14.34333368
  H     17.18170775      7.37402353     -9.80976963
  O     14.70188511      6.80882098    -11.63140356
  H     18.33060051     10.56089253    -13.33515436
  H     11.05654532      9.20866038     -9.15204630
  O     12.28212466      8.75838559    -14.28468754
  H     15.00486242      6.38854012    -12.44789912
  H     12.49901643      8.66418572     -9.03844501
  O     13.82669120     10.92120591    -10.45763419
  H     13.74655633      6.93608896    -11.70834234
  H     14.80023787     12.35119620    -11.26899082
  O     18.78302762      7.33857194    -10.87158521
  H     12.95140245      9.43469720    -14.43877315
  H     16.26870341     12.70389710    -10.99029193
  O     12.97623681      6.92900409    -16.28985199
  H     12.38280733      8.12457967    -15.00979909
  H     14.82246426      9.96126416    -11.63434246
  O     15.53361677      5.83642117    -14.07321246
  H     13.03330064     10.40561732    -10.27633548
  H     15.17612254      8.49941882    -12.03737499
  O     14.65313311     10.29041889    -14.67599122
  H     14.45717049     10.71418868     -9.74978170
  H     18.35669575      9.30592426    -15.15330942
  O     15.78152582     10.15740337     -8.64412787
  H     19.58822038      6.89706245    -10.61600892
  H     19.07646880      8.45622543    -16.22653752
  O     13.27911635      4.39408371    -14.90050235
  H     18.56149559      7.01934685    -11.76628527
  H     11.51655774      5.82127803    -12.64106709
  O     13.86057614      8.21116086     -7.98497163
  H     13.88762257      7.24215531    -16.36151720
  H     10.36419734      4.94007139    -13.14295214
  O     16.28322123      7.49134079     -9.48101053
  H     13.03340553      6.03446956    -15.93527091
  H     18.31333614      7.20747727    -14.11712517
  O     11.84309692      9.02495793     -9.66007821
  H     15.51456503      6.58541862    -14.68763753
  H     17.30113439      6.17683661    -13.58480978
  O     15.55000386     12.85113597    -11.61639843
  H     14.83733059      5.23042610    -14.35442839
  H     12.07120755      7.94595025    -12.76912544
  O     15.40061518      9.42542848    -12.19414328
  H     15.04053736     11.16947738    -14.73744636
  H     11.85124655      7.96950140    -11.21059877
  O     18.37890792      8.42932516    -15.57700568
  H     14.94050817      9.94901376    -13.81384449
  H     18.43704662     12.39574374     -9.56889523
  O     11.31611700      4.98746193    -13.09622373
  H     16.47058817     10.78593080     -8.88763576
  H     17.88311704     11.26575308    -10.47217478
  O     18.14233663      6.60618874    -13.38210495
  H     16.05183763      9.28525438     -8.97202667
  H     15.24683788      8.80991096    -15.54527196
  O     12.02091990      7.39781528    -11.96674276
  H     12.57418900      4.55635106    -14.25016902
  H     16.56157909      8.09126920    -15.91646987
  O     17.63300179     11.95635224     -9.83299137
  H     13.14130207      3.51465419    -15.24237804
  H     15.90567813     12.77784240    -13.33733980
  O     15.60535981      7.97177894    -15.87226835
  H     14.51828404      7.59347632     -8.32295002
  H     16.07555164     13.55604927    -14.66069342
  O     16.12157360     12.68223821    -14.28172886
  H     14.36654550      9.02796720     -7.87840778
  H     18.41509973      9.09606733    -11.32758750
  O     18.03445050      9.93776041    -11.60506952
  H     15.70969343      7.17426790    -10.19542816
  H     17.10836918      9.76043440    -11.83784918
          69
 Energy    -248.84251124849496     
  O     -8.01994676     -3.60368418      5.63072339
  H     -7.27616723     -3.04685526      5.92237471
  H     -4.51929108      1.35382514      2.38249341
  O     -9.61040274     -1.47550611      2.40216444
  H     -8.00752197     -4.38211387      6.18266372
  H     -7.88432488      0.05106200      4.66501199
  O     -7.89630763     -3.65976943      2.80675804
  H     -8.85509559     -1.11640474      2.89644118
  H     -6.72908402     -0.60181354      3.83571422
  O     -5.39406649      1.66843615      0.84531413
  H    -10.38998865     -1.13313761      2.85695999
  H     -5.89214111     -1.19619444      6.81440076
  O     -5.95665127      0.63088236      7.42389702
  H     -7.91866653     -3.71395738      3.77120927
  H     -5.47010621     -1.85289894      5.48970365
  O     -6.01349872      5.56340094      3.04344336
  H     -8.62014999     -3.06861207      2.56437698
  H     -1.46642350      3.64172954      2.82175239
  O    -10.09843012     -1.73141300      6.23199583
  H     -5.43459147      0.81933693      0.38249340
  H     -2.94446233      3.76726766      2.37535762
  O     -5.01593186     -1.29936099      3.82383767
  H     -6.29640750      1.81902274      1.15910248
  H     -9.53995435      2.71410185      4.41131323
  O     -4.21223354      4.18435554      1.24913718
  H     -5.56801720      1.03526981      8.19514813
  H     -9.63598774      1.60877980      5.46059410
  O    -11.45724694     -0.24941025      4.07416780
  H     -5.82997099      1.25357607      6.68695051
  H     -6.39116538     -3.27690210      2.03106130
  O     -6.03760690     -0.80787367     -0.14978493
  H     -6.12481886      6.51074165      3.05713652
  H     -5.09107791     -3.76705153      1.34982060
  O     -4.07784195      1.23075530      3.23648824
  H     -5.36855576      5.34701326      3.74030652
  H     -9.23148331     -0.83156949      0.78221850
  O     -7.60337493     -0.19903440      3.77570302
  H    -10.59880788     -1.41497619      5.47104335
  H     -9.55603800     -0.47955042     -0.68866963
  O     -5.92073854     -2.02782998      6.32895150
  H     -9.49765406     -2.42124864      5.92206154
  H     -7.76036204      0.49097805      6.91275766
  O     -2.36158039      3.46458607      3.09654205
  H     -4.53816559     -0.48922793      3.59965226
  H     -9.05373241     -0.31099670      6.50539844
  O    -10.14538203      2.05544979      4.76642135
  H     -5.05804807     -1.86265876      3.04082730
  H     -4.70391640      3.89314072      5.21236024
  O     -5.54693565     -2.98264334      1.64403719
  H     -4.89922211      4.67901103      1.71186030
  H     -3.46441197      4.32835163      4.40955196
  O     -8.90332431     -0.36205676     -0.00325831
  H     -4.62057542      3.36235280      0.94333506
  H     -6.52859126      2.65594278      4.82789992
  O     -8.54490176      0.50058378      6.35591480
  H    -11.03237012      0.60775229      4.25607552
  H     -5.19969205      1.89043427      4.55062801
  O     -4.22096849      4.67084943      4.90249283
  H    -12.39467309     -0.11283231      4.18430781
  H     -8.40852836      1.14913277      1.06586278
  O     -5.73558132      2.29486340      5.24721751
  H     -5.85796033     -1.57300188      0.40989329
  H     -7.85469485      1.03075080      2.50348268
  O     -8.00120134      1.65741502      1.77582149
  H     -6.99815676     -0.72563090     -0.18969256
  H     -7.33102663      4.29364827      3.50806804
  O     -7.83575928      3.51729387      3.77959553
  H     -3.35697658      1.87078494      3.26551957
  H     -7.94989266      2.97329202      2.98558265
          69
 Energy    -248.84226843498590     
  O      9.84303804     11.79731315    -13.01398514
  H     10.32050319     11.46590301    -13.78581502
  H     13.45593888     12.00201305    -12.99751575
  O     15.91622786      8.54691958    -16.68358176
  H      9.79654923     11.07266236    -12.37995242
  H     16.46280959      9.76955118    -10.91957990
  O     12.26209431      8.66229163    -11.58373780
  H     15.92750606      9.46620865    -16.98276241
  H     16.04894089     10.52379544     -9.63175314
  O     15.67660043      9.22134351    -14.04990165
  H     15.04089623      8.20590387    -16.90718235
  H     16.14678888      8.42791433    -12.55925417
  O     11.51979485     12.04155215     -9.82605009
  H     11.38129077      8.93871008    -11.30285047
  H     17.12774851      7.47455584    -11.84117833
  O     15.72521206     11.36297951    -17.13193773
  H     12.79573471      9.47370819    -11.60642511
  H     13.21257692     14.06298241    -12.84843524
  O     12.96225818      8.53430170    -14.24417574
  H     15.79928860     10.17869405    -14.09426620
  H     12.14049378     14.60549790    -11.89897268
  O     15.04667010     10.09608135     -8.12983337
  H     15.86802150      8.87383851    -14.93439131
  H     15.01383723      7.88899091    -10.36970647
  O     13.63528243     11.05883100    -11.50420746
  H     11.17288567     12.81132579    -10.29541248
  H     13.49573028      8.08726043    -10.27538659
  O     15.10722386     14.43995591    -10.35920310
  H     12.22198108     12.33720354     -9.22686283
  H     16.34463506     13.54683881    -11.55477267
  O      9.95795912      9.99658924    -10.74106421
  H     16.21452705     11.96738917    -17.68481805
  H     16.85431067     12.11184871    -11.51735485
  O     13.35597467     12.50650355    -13.82059414
  H     15.88229772     11.64006543    -16.21383930
  H     11.85642808     10.91907413    -15.97383671
  O     16.31112919     10.64998339    -10.55242700
  H     12.62979197      8.38852176    -13.34894398
  H     11.93479825     10.03468527    -14.71979604
  O     16.40618843      8.07956167    -11.68869784
  H     13.88533185      8.81043657    -14.15207930
  H     14.35567137     13.21493542     -9.09871639
  O     13.07302984     14.69336496    -12.12806950
  H     15.29104749      9.76514883     -7.26943763
  H     14.28100772     11.84618271     -8.34826511
  O     14.29492600      8.01571356     -9.73782538
  H     14.70307561      9.33648711     -8.63347934
  H     15.01477359     12.23570580    -14.33921112
  O     16.87777040     12.91698557    -12.05341478
  H     14.53098260     11.01408179    -11.14950215
  H     16.41641319     12.35784974    -13.70274715
  O     11.52017456     10.83461663    -15.06948128
  H     13.05880554     11.47719688    -10.85163067
  H     12.96860342      9.73089714    -17.43627951
  O     13.79900290     12.65998803     -8.53703885
  H     15.37213692     15.30800574    -10.06413412
  H     13.83136793     11.00271656    -17.38479123
  O     15.94286483     11.98056606    -14.45747652
  H     14.37078975     14.57398556    -10.98278389
  H     10.18408328     13.26446992    -12.13372055
  O     12.91852987     10.69520940    -17.43660180
  H     10.49246677     10.69240658    -10.31800431
  H      9.62422254     14.54468443    -11.46982847
  O     10.39786992     13.98989289    -11.51882500
  H      9.22467681      9.81981520    -10.15749294
  H     12.61257698      7.12612964    -17.18388668
  O     13.15046537      7.86832358    -16.92030199
  H     12.67737849     12.05198535    -14.33313210
  H     12.99751434      8.00064766    -15.96959155
          69
 Energy    -248.84191395416724     
  O     16.67992549     10.21621301    -14.79660621
  H     17.24699159      9.44901769    -14.96196024
  H     13.23304475     11.83912373     -8.87619957
  O     14.67492926      7.09538795     -9.19666102
  H     15.81853041      9.98841603    -15.17144070
  H     16.35910499      4.44429609    -14.87869876
  O     12.53234188      8.67281778    -10.24526816
  H     14.75455525      6.48622150     -8.46823281
  H     17.01747489      3.12438028    -14.44020908
  O     14.36366715      9.05473032    -15.77203421
  H     15.14594745      7.90890442     -8.93860820
  H     15.50017348      8.12296404    -11.98326813
  O     18.23589113      7.96013465    -15.30729054
  H     13.15607321      8.03659839     -9.87563984
  H     15.19875924      6.98911889    -10.96772342
  O     20.44394329      9.44527376    -14.40200634
  H     12.81814839      9.53503811     -9.92049164
  H     18.93300463     13.08561958    -10.83092362
  O     17.80160523      6.37957886    -13.09048733
  H     14.88924737      8.59932757    -16.44086428
  H     18.23802482     11.71991066    -11.03713848
  O     11.50557344      8.39716237    -12.73903711
  H     14.10428921      8.36786048    -15.13886960
  H     17.03133623      7.61869409    -16.61137342
  O     16.04209732     13.46731014    -12.77444696
  H     19.08455478      8.38721940    -15.13649254
  H     16.63377845      7.44419001    -18.09344889
  O     12.66456321     10.64547220    -14.07379750
  H     18.06617247      7.36721120    -14.55917585
  H     16.10963587      9.99607385    -13.12357684
  O     13.88787590     11.93161155    -11.99674238
  H     19.99478768     10.30312837    -14.30141869
  H     15.04410737     10.50716025    -12.11863526
  O     13.65157263     11.16865419     -9.41024668
  H     21.34044992      9.63158659    -14.66722639
  H     18.09119595     11.33541367    -14.36277463
  O     17.10768648      4.07123902    -14.38249901
  H     17.67269662      5.50201334    -13.47867014
  H     18.82382330     12.03600742    -13.19187912
  O     15.43323317      7.15990777    -11.88716360
  H     16.98024848      6.60201047    -12.63041524
  H     17.09046530      9.99010293    -11.11875720
  O     18.37397734     12.59870189    -11.43086459
  H     11.85380184      8.49021716    -11.83427680
  H     18.52128249      9.43881714    -10.90557571
  O     16.27643720      7.49315338    -17.21021059
  H     10.57569528      8.20283612    -12.65649703
  H     14.26172079      6.98313718    -13.24577071
  O     15.73859552      9.85041644    -12.24256071
  H     16.35379903     13.64888581    -13.65945657
  H     12.81503584      7.38743560    -13.60898425
  O     18.94553041     11.69725876    -14.08652281
  H     16.82858646     13.22323432    -12.26581185
  H     18.99471829      7.54341662    -12.21650685
  O     17.87485381     10.06855270    -10.55297186
  H     13.17390699     10.24552518    -14.78817770
  H     19.92699187      8.67614991    -12.67612641
  O     13.63281361      7.03498304    -13.98037019
  H     12.18487133      9.91885041    -13.65486123
  H     16.64258320      9.70059228     -9.16692342
  O     19.49460403      8.30739350    -11.89800176
  H     13.39903484     11.59583554    -12.76351519
  H     15.18182305     10.13751789     -8.87446335
  O     15.85081278      9.47423782     -8.66223980
  H     14.56292555     12.55494939    -12.30106106
  H     15.43840460      5.99242293    -16.32552258
  O     15.07158546      5.33405225    -15.72410474
  H     13.70072537     11.52306617    -10.31518721
  H     14.46185722      5.81418123    -15.14832100
          69
 Energy    -248.84178569117262     
  O     17.16081072      4.35682638    -13.83835243
  H     16.22561048      4.13524653    -13.89490781
  H     19.36286425      8.36119454    -13.99473462
  O     13.25955610     11.23189346    -11.05682785
  H     17.37464294      4.86726231    -14.63402955
  H     15.66386700     10.64492270    -14.61974163
  O     15.80885264     12.22319995    -11.91349982
  H     14.11476489     11.64435906    -11.22745215
  H     14.20008677     10.81326314    -14.09331524
  O     11.85444793      8.52555968    -15.70727145
  H     12.92151544     10.95208957    -11.91797005
  H     16.26383336      8.38180487    -13.51128609
  O     16.34838740      5.56615728     -9.49871927
  H     15.57416141     11.98584950    -12.82639038
  H     16.62350451      7.26678090    -12.46840437
  O     13.36607705      6.36452561    -14.58506033
  H     16.10867607     13.12883853    -11.93281021
  H     13.81928337      5.79064769    -11.38562989
  O     12.75919266      9.90430711    -13.50896217
  H     12.20844271      7.67110186    -15.42755099
  H     14.91833269      5.04227558    -10.60997265
  O     14.11944973     11.69613151    -16.99953165
  H     12.31823303      8.74500951    -16.52385614
  H     17.65532039      5.37604167    -12.51603781
  O     17.70348390      6.07511705    -15.94501594
  H     16.19537687      6.50708180     -9.29778279
  H     17.41637357      5.78791511    -11.02170473
  O     16.69685575      9.30029424    -15.03176960
  H     16.63967436      5.15510185     -8.68922004
  H     13.97105006      2.97547874    -13.76631760
  O     15.22451880      7.44712292    -16.40454630
  H     13.30459937      6.76609690    -13.70956212
  H     14.28031918      4.14501011    -12.80053710
  O     19.28418959      8.34326764    -14.96539912
  H     13.63770799      5.44952411    -14.43341306
  H     16.70907153      9.22900970    -11.56863266
  O     14.98991077     11.29949314    -14.37572601
  H     12.32396984      9.55777486    -14.30154789
  H     16.79013991     10.72753839    -11.21371045
  O     16.00081560      7.97804209    -12.67560089
  H     12.95849580      9.13232058    -12.96483807
  H     18.94121064      7.50384340    -12.04148112
  O     14.19044054      4.91438941    -11.23096838
  H     13.81418679     12.58892872    -17.14169291
  H     18.77676618      9.00841710    -11.75112500
  O     17.82308601      6.06313228    -11.85103495
  H     14.44710556     11.66774957    -16.08788547
  H     14.96611248      8.49384401     -9.14911739
  O     14.31408669      3.86475037    -13.73316393
  H     18.28535372      6.78855112    -15.65921221
  H     16.40691752      8.83784969     -9.58431855
  O     17.15112864      9.86416890    -10.98408557
  H     16.88344505      6.49005691    -16.24031383
  H     13.38646009      9.19502742    -18.85109151
  O     19.30442024      8.37727726    -12.25322189
  H     16.20967623      8.67408041    -15.58824065
  H     13.78366127     10.08272546    -17.64805650
  O     15.88256555      8.20086540     -9.08175664
  H     17.63616951      9.08323649    -15.08824303
  H     13.19753050      9.84419039    -10.01388092
  O     13.58105367      9.17075780    -17.91760129
  H     14.61068902      7.04679031    -15.77289092
  H     12.47047110      9.01668924     -8.92533162
  O     13.17508890      8.97909397     -9.56676959
  H     14.69492503      7.96506002    -17.02336369
  H     13.27415781      7.98729016    -11.11922031
  O     13.44749747      7.59437116    -11.98437765
  H     20.15545188      8.51012977    -15.31424885
  H     14.39084606      7.73220605    -12.18660515
          69
 Energy    -248.84142919009696     
  O     14.42472968      9.12939547    -10.32848943
  H     14.36352568      9.95729520    -10.82536422
  H     15.39922937      3.74642860    -12.76758187
  O     14.51918211     12.10163286    -15.41970710
  H     15.29518972      9.11432643     -9.91293455
  H     11.92839359      7.55027036    -11.18202296
  O     17.16143800     10.19485918    -12.12443579
  H     14.61346877     12.75992874    -14.71947264
  H     12.96420131      8.09110689    -10.18460366
  O     12.39001317      5.80853295    -14.22848484
  H     13.87606681     11.45886739    -15.09662619
  H     19.69202587      6.65714965    -14.74553184
  O     16.58486275      6.30482089     -9.40563039
  H     17.28542320      9.74519820    -11.28059687
  H     18.42507213      7.52629496    -14.57904120
  O     17.66647550     12.65153894    -13.46955571
  H     16.24821690     10.51696924    -12.13246454
  H     16.11829717     13.46056860    -13.22764005
  O     15.12247559      7.22875304    -12.39287528
  H     12.79494864      5.27094133    -13.53306139
  H     15.18115783     14.65305027    -12.91031386
  O     14.53222665     11.21650185    -12.08120967
  H     13.00174878      5.78990898    -14.97274119
  H     12.37872818      9.45047300    -13.70693161
  O     17.53094481      5.90460032    -11.99939564
  H     15.69157345      5.94202702     -9.39411324
  H     13.71070210      9.42780454    -14.48327801
  O     16.68742153      4.88108517    -15.43738969
  H     17.00688304      5.99522446    -10.21993610
  H     17.30429240     11.78592782    -16.90417397
  O     14.38847432      5.93202634    -16.30684932
  H     17.63384778     12.32629016    -14.37804709
  H     16.15464416     11.65172363    -15.87862412
  O     16.30239835      3.54958513    -13.04900691
  H     17.69376510     11.86288220    -12.91182628
  H     10.41631030      7.97893486    -13.10961924
  O     12.29381456      7.40129048    -10.30348308
  H     14.83891000      7.86424294    -11.72601164
  H     11.71302307      7.22771086    -13.47970028
  O     18.77874179      6.62817015    -14.47085786
  H     14.97846282      7.61522030    -13.26508452
  H     13.42696266      4.93250858     -8.63014929
  O     15.18569037     13.73020270    -13.14793422
  H     13.97560953     10.82522419    -12.77128354
  H     13.22692183      6.04620187     -9.68280832
  O     13.05725768     10.02404999    -14.08295639
  H     14.66064582     12.14344485    -12.31128266
  H     14.31076351      5.60304030    -12.30021471
  O     17.09895873     11.46685347    -16.02940325
  H     16.70821890      6.39531921    -12.15658253
  H     13.79114599      4.68242293    -11.19833307
  O     11.36542150      8.00875906    -13.01254138
  H     18.10404771      6.11197553    -12.74528034
  H     15.88468659      8.50297085    -14.98539098
  O     13.82606392      5.33265748     -9.39841228
  H     16.54467162      4.29782872    -14.67637729
  H     14.78176707      7.51847057    -15.52818833
  O     13.90154064      4.73514593    -12.15424506
  H     17.44128011      5.43449542    -15.20893789
  H     16.98314444      7.98766601     -9.45853087
  O     14.94288309      8.29297035    -14.97330784
  H     14.22235754      5.65179515    -17.20243313
  H     17.58674405      9.23067219     -8.76623236
  O     17.12027085      8.94831474     -9.54841058
  H     15.21455789      5.49728767    -16.02373704
  H     17.52955518      9.88136854    -15.20080069
  O     17.59629086      9.10402583    -14.63117279
  H     16.84659467      4.19869732    -12.58425208
  H     17.48907831      9.41354257    -13.71852670
          69
 Energy    -248.84118307108736     
  O     -7.52952973      2.72049966     -0.31773345
  H     -6.69871354      3.05049926     -0.70149072
  H     -5.41829044      0.41456152      3.24628697
  O     -4.04429635      2.17300083     -3.61639719
  H     -8.14511308      3.44901898     -0.33219910
  H      0.01196635      2.16636611      1.81864293
  O     -6.34638264      1.20030746      1.71375314
  H     -4.43696497      1.35567975     -3.25828842
  H     -0.90470380      0.91674348      1.78844029
  O     -3.36006860     -1.58822828      1.97204115
  H     -4.26039386      2.20456372     -4.54414119
  H     -2.03324250      2.68667575      0.94358063
  O     -1.19866979     -0.68158484     -1.59497153
  H     -5.59466759      0.91887965      1.16703643
  H     -3.45315115      3.27683730      1.08811595
  O     -5.08501046      0.03793861     -2.34590023
  H     -6.91826883      1.70922747      1.12367905
  H      1.93123049      0.51701259      0.99246218
  O     -4.98249193     -3.12238643      0.31742707
  H     -3.85893276     -1.16919011      2.68885038
  H      0.96525842     -0.67814712      1.07532036
  O     -3.57143500     -2.25393978     -1.83740815
  H     -3.93139689     -2.22717049      1.52702150
  H      2.33022550      3.11012339      1.13571725
  O     -1.75450680      2.06164767     -2.01329808
  H     -0.26795476     -0.76991360     -1.83758749
  H      1.44188464      2.43469718      0.06324466
  O     -0.90946250     -0.74956611      1.17597773
  H     -1.44510707      0.23639669     -1.77227101
  H     -7.80825129      1.06026902     -1.32188832
  O      1.60537420     -0.61829432     -1.91553591
  H     -4.73675094      0.17901620     -1.45233734
  H     -7.70227675     -0.44036326     -0.98619654
  O     -4.71814979     -0.01410447      3.75343834
  H     -6.05026519      0.03870522     -2.26482881
  H     -2.33693626      2.27673128      4.94097649
  O     -0.86793676      1.84789222      2.05679298
  H     -5.17288059     -4.05390963      0.24161795
  H     -2.02831228      1.99013038      3.45564661
  O     -2.79605901      2.99246232      0.43209522
  H     -4.47587269     -2.87351725     -0.47644959
  H     -6.52024034     -1.96150171      0.50445773
  O      1.85448189     -0.42313270      0.79106014
  H     -2.70064748     -1.84148248     -1.78071603
  H     -7.04987376     -0.66006001      1.14768100
  O      1.64019791      2.46318414      1.01704980
  H     -4.15044844     -1.57537400     -2.21126987
  H     -3.59667716      1.29045464      0.31717855
  O     -7.73003405      0.18780952     -1.72414208
  H     -2.44888000      2.14776198     -2.67903723
  H     -3.74662161     -0.20338158      0.77315550
  O     -2.74564393      2.06288531      4.10527637
  H     -2.08818411      2.48316652     -1.21080387
  H     -4.82469842      3.18489084     -2.20069630
  O     -7.28421272     -1.37337939      0.54583139
  H     -1.68224017     -1.18177838      1.56555677
  H     -4.34801237      3.58179295     -0.79698613
  O     -4.12924770      0.49252741      0.22357466
  H     -1.03751937     -0.75880134      0.21667650
  H     -5.31080873      2.76547210      2.28304488
  O     -5.12667352      3.55144687     -1.35987799
  H      2.27696939     -1.15098654     -2.33228150
  H     -4.04908727      3.05198338      3.12422458
  O     -4.59923507      3.40375207      2.41162613
  H      1.78893989     -0.62713436     -0.95890809
  H      0.10471620      2.24270330     -1.85974911
  O      1.03575593      2.17248395     -1.61180120
  H     -4.07383144      0.67385931      3.96240849
  H      1.30870742      1.28118556     -1.86287453
          69
 Ord_Energy   -248.840973    
 O   -8.83650684      -2.00827408      0.169038475    
 H   -9.15939522      -1.77540886     -0.708660603    
 H   -8.21514797      -1.30177534      0.403643936    
 O   -5.02163315     -0.980005383     -0.953587651    
 H   -4.21578741     -0.460247219     -0.832840443    
 H   -4.89514208      -1.80127466     -0.460257024    
 O   -3.80565810       2.33667183       1.54469597    
 H   -4.68076563       2.67545533       1.30937970    
 H   -3.46639204       1.80463183      0.816553175    
 O   -7.00136185       1.71816107E-02  0.712457061    
 H   -7.36159420      0.804505348      0.286493748    
 H   -6.28280973     -0.303504676      0.150394559    
 O   -4.19067955       2.78776598       5.62610960    
 H   -5.05224895       3.18495989       5.40433550    
 H   -4.05951262       2.92093253       6.56092453    
 O   -2.89398098      -1.18237567       1.96871316    
 H   -3.25809550     -0.700939715       2.72229409    
 H   -3.52018952      -1.88054335       1.73869967    
 O   -6.67910528     -0.117715091       3.40876222    
 H   -5.76100969      0.109298229       3.60622215    
 H   -6.77563286     -0.123487592       2.44251370    
 O   -9.56415462     -0.715118825      -2.21193719    
 H   -10.1902723     -0.826335907      -2.92234731    
 H   -9.91109085      -2.11729994E-03  -1.64449072    
 O   -10.3026314       1.31017518     -0.556734383    
 H   -10.4908981       1.33737051      0.386925012    
 H   -9.48379517       1.81775534     -0.670020759    
 O   -2.70332479      0.418524295     -0.201309025    
 H   -2.66332412     -0.166951567      0.578397632    
 H   -1.82714689      0.447011322     -0.576168716    
 O   -6.90306902      0.443861753      -2.59289956    
 H   -6.24296236     -0.142097101      -2.20247149    
 H   -7.74260807      -3.24994512E-02  -2.56199837    
 O   -10.5597210       1.38900626       2.32105064    
 H   -10.4615221      0.426151037       2.43396807    
 H   -11.4045954       1.62347472       2.69703722    
 O   -6.30044985       3.53232980       1.24799395    
 H   -6.06046629       4.37761974       1.64727247    
 H   -6.92092371       3.10826993       1.85952950    
 O   -4.07144356      0.690546513       3.75783706    
 H   -3.97805381       1.25101221       2.97165203    
 H   -4.03784704       1.29096437       4.51258993    
 O   -4.64803123      -3.13625407      0.838436604    
 H   -4.27934933      -3.99354243      0.639825821    
 H   -5.53436184      -3.29770851       1.20682478    
 O   -3.17089701       4.33514786       3.40851545    
 H   -3.21062684       3.66870785       2.70770621    
 H   -3.34476686       3.85787058       4.22887754    
 O   -7.14685249      -3.54563022       1.76662731    
 H   -7.45358610      -3.26905322       2.63787723    
 H   -7.78980303      -3.19205141       1.13618195    
 O   -8.09725094      -2.30980062       4.16524220    
 H   -8.01264763      -2.49727774       5.09612703    
 H   -7.56523132      -1.51408172       3.98672390    
 O   -7.77122116       2.31801152     -0.769029856    
 H   -7.31788874       1.85216308      -1.48807716    
 H   -7.15236568       2.87180567     -0.278767645    
 O   -8.01494598       2.31401038       3.11726928    
 H   -7.58724356       1.47180855       3.32651496    
 H   -8.91635227       2.10350800       2.84457803    
 O   -5.43445063       5.71986008       2.80723643    
 H   -4.56660795       5.33056021       3.01794243    
 H   -5.30387735       6.66010046       2.72247696    
 O   -6.50732279       3.96983743       4.82230616    
 H   -7.14438868       3.42854190       4.33747101    
 H   -6.25226831       4.67774677       4.21799994    
 O   -10.1932554      -1.28098917       2.51921058    
 H   -9.60751820      -1.68076348       3.17248774    
 H   -9.88624668      -1.60387981       1.66105700    
          69
 Energy    -248.84068222421979     
  O     15.12250755     13.37326430     -9.66625628
  H     15.99606451     13.50416188     -9.27597217
  H     12.86974301     14.02818529    -13.96168165
  O     14.62765917     11.75518540    -16.20546173
  H     14.74188253     12.59686118     -9.23711261
  H     20.88327816     13.59227387    -12.80109960
  O     17.15571159      9.24301347    -10.96753780
  H     15.56279935     11.58559020    -16.37295379
  H     19.48188861     13.98157342    -12.27145981
  O     16.44198029     16.46709166    -12.07631643
  H     14.25344164     10.94120495    -15.84846766
  H     13.60467649     10.68549077     -7.87957444
  O     17.13457358      7.37358402    -13.11292430
  H     17.60000211      9.96844365    -11.43324619
  H     14.22506827     10.37050781     -9.26099778
  O     15.80920844     12.60081950    -12.28945856
  H     17.20754264      8.47984184    -11.55458316
  H     17.79378257     11.38727952    -17.51539204
  O     14.35561886      9.52274453    -10.79878386
  H     16.32563031     15.92087692    -12.87349837
  H     17.77110514     12.15810847    -16.17579055
  O     17.86051438      9.51023254    -14.57247186
  H     16.56706161     17.36465725    -12.37503383
  H     13.74077902      8.86412136    -14.38788964
  O     18.32862540     13.53581921    -15.28118024
  H     17.67735445      6.62037566    -13.32793248
  H     12.57192018      9.13932665    -15.35770711
  O     13.44888135     11.24848688    -12.73804244
  H     17.39936440      8.09430662    -13.71491875
  H     17.27913904     10.12578081     -9.30999753
  O     13.78541898     14.25175510    -15.64444360
  H     15.03536579     12.09458141    -12.57192790
  H     16.22984528     10.74364043     -8.37057802
  O     12.54770049     13.77213495    -13.08996336
  H     15.61546920     12.91494145    -11.39696679
  H     18.29269444     14.33722297    -10.28427537
  O     19.95178561     13.43753279    -12.92997699
  H     15.31810605      9.47884686    -10.89834097
  H     17.82703891     15.40880991    -11.31154269
  O     14.30844269     10.93455232     -8.47245140
  H     14.01035518     10.15554382    -11.44842880
  H     17.37113381     11.79036390    -12.42621648
  O     17.40068147     11.38962178    -16.64656684
  H     18.04800559     10.15251637    -13.87351875
  H     18.90954465     11.93977443    -12.57590555
  O     13.35754354      9.53110047    -14.98404091
  H     17.68113903     10.03434245    -15.36012529
  H     14.19465970     14.72646373    -10.56057864
  O     17.17373559     10.74076438     -8.57250202
  H     17.56604376     14.02430637    -14.94245809
  H     14.67553473     15.86540821    -11.46038390
  O     18.54871663     14.81000537    -11.08547390
  H     18.96688580     13.51305773    -14.55889457
  H     14.21136584      8.20223491    -12.25875214
  O     18.20509787     11.29524111    -12.45024600
  H     13.31958039     10.74761743    -13.55090244
  H     15.27695730      7.55984171    -13.16570810
  O     13.88759920     15.36864243    -11.21497192
  H     13.00727895     12.10782225    -12.83079462
  H     18.13584510     13.65358267     -7.89864518
  O     14.34363189      7.80606535    -13.12799785
  H     14.05480784     13.34352337    -15.87619280
  H     17.67107698     12.41815987     -8.70108916
  O     17.77867488     13.38511690     -8.74167248
  H     13.37288045     14.62282974    -16.41922983
  H     15.96378179     13.94827685    -13.46837185
  O     16.05971012     14.68027702    -14.09793861
  H     12.94622546     14.38527662    -12.45482798
  H     15.28492971     14.65413733    -14.67322012
          69
 Energy    -248.84037652885098     
  O     12.10864133     11.88633415    -12.36965697
  H     11.85725509     12.76913233    -12.11072624
  H     17.96144315      6.29845168    -13.70554441
  O     19.21908404      9.41763541    -12.65992773
  H     12.81730078     11.97862932    -13.02948458
  H     12.76494873     10.30485027    -16.80999699
  O     15.78472279      9.76479828    -11.68271571
  H     18.79121869     10.20811735    -12.31624703
  H     11.73053259     10.72274972    -15.74010960
  O     10.75035193     10.17172912    -14.28338257
  H     19.33324133      9.56155855    -13.61127213
  H     15.86247963      9.57840766    -15.19043632
  O     13.59470381      7.44239999    -14.96691932
  H     15.74355778      9.62998934    -12.64308742
  H     14.74273437      8.77464521    -14.50141005
  O     14.90886947      5.73378467    -13.22593097
  H     16.43410269     10.46201034    -11.53653586
  H     13.33515765      7.87396443    -10.20561130
  O     18.80843041      6.82692807    -12.10954949
  H     11.03348160     10.79911081    -13.60730655
  H     14.55770530      6.93463873    -10.20885103
  O     14.03306994     11.91501342    -14.33746801
  H     10.89481742      9.30059186    -13.89398443
  H     18.93215157     10.53575294    -15.77305677
  O     18.04236002      7.52733211    -16.68491724
  H     12.84888817      7.64228147    -14.38345317
  H     19.00622692      8.99743456    -15.85731895
  O     16.19744108      7.09435468    -11.14155188
  H     14.11933857      6.77547950    -14.50353944
  H     15.74523072     12.68923273    -14.14172085
  O     17.72319310     11.85282624    -16.52308987
  H     14.08896994      5.40437699    -12.83850449
  H     17.09140815     12.54386548    -14.87961388
  O     17.43845458      6.08559645    -14.48944644
  H     15.35524307      6.21942744    -12.51574817
  H     18.10734230     12.43587847    -11.22733901
  O     12.39763902     11.06820601    -16.35370330
  H     19.61946640      6.46350166    -11.76560437
  H     17.40644530     12.15412873    -12.57698884
  O     15.39793536      9.46919618    -14.35357330
  H     18.97415049      7.77306378    -12.28101584
  H     14.02134756      9.65237680    -11.29961549
  O     13.61249738      6.97025776    -10.00725849
  H     14.51707054     11.08224994    -14.24947639
  H     12.65587817     10.35851255    -11.43583041
  O     19.36616338      9.76270987    -15.39409702
  H     13.46952934     11.79362428    -15.11723694
  H     16.83721843      8.83307036    -17.02474240
  O     16.69941547     12.79351770    -14.03381087
  H     18.52098808      6.94729690    -17.27114146
  H     15.37364013      9.31540811    -17.30176850
  O     17.75280508     11.73577150    -11.76831371
  H     17.80463594      6.99780232    -15.90266379
  H     12.18809626      8.41313244    -12.35033245
  O     13.06842721      9.52237585    -11.18565202
  H     17.12352739      6.90061357    -11.33156969
  H     11.78683918      6.94426519    -12.62939202
  O     16.25728983      9.60838722    -17.04615865
  H     16.09801100      8.05034324    -11.26378801
  H     11.97228795      4.61029507    -11.43843807
  O     11.72854857      7.83996137    -12.98243171
  H     17.14312669     11.12628957    -16.80785067
  H     12.82502096      5.85591362    -11.09288446
  O     12.45006138      5.33697244    -11.82855304
  H     17.89280041     12.38706328    -17.29530994
  H     13.57859133      8.14233513    -16.60164932
  O     13.64845392      8.64577626    -17.43077001
  H     16.57279994      5.81118689    -14.16580741
  H     13.18217919      8.14567089    -18.09616414
          69
 Energy    -248.84015886550355     
  O     12.80983285     10.43573303    -12.72052396
  H     13.30651884     10.72255119    -13.50322569
  H     16.36615714      7.06504845    -16.46509065
  O     15.04780266      7.44412298    -17.75617281
  H     13.39559026     10.50340886    -11.95697981
  H     14.49223019      6.73594657    -10.13938643
  O     13.77305659      5.30526504    -12.80263748
  H     15.21858642      7.43364151    -18.69591529
  H     14.71466416      5.78360951    -11.33327976
  O     17.70175261      5.06584709    -10.78945082
  H     14.43239979      8.17536016    -17.59568336
  H     13.27132901      8.59751360    -13.16272249
  O     13.76885891      5.06879356    -16.62066767
  H     12.86573490      4.98502370    -12.74616672
  H     14.52534630      8.21496646    -13.96630681
  O     10.29073654      9.59511427    -13.27911599
  H     13.71004748      6.22393747    -13.11064134
  H     15.08474139     10.40186448    -14.73614121
  O     13.18151490      9.47583683    -17.25669743
  H     18.25417778      5.85001923    -10.88633008
  H     13.97588421     10.55887910    -15.78922970
  O     19.13014158      7.46140309    -11.57994538
  H     16.81261285      5.38934717    -10.58583579
  H     10.39893896      4.18272345    -12.75657299
  O     11.54286087      8.29042904    -15.42960608
  H     14.16219111      5.83034010    -17.05934405
  H     11.03879262      5.06110594    -13.85960739
  O     17.94413347      3.70528504    -13.12137166
  H     14.44069378      4.74431661    -16.00733751
  H     11.00366391      6.57780234    -11.96067740
  O     19.04931143      6.20488891    -13.98500582
  H      9.60783600     10.21774006    -13.04449050
  H     10.67913541      8.08187441    -12.08965703
  O     16.87911473      6.83559090    -15.68138482
  H     11.14059357     10.00023834    -13.02731173
  H     15.02570123      4.74880927    -13.93981822
  O     15.17189616      6.22578376    -10.60506052
  H     12.69750372     10.00383459    -17.88746571
  H     16.44454928      4.14766393    -14.13792220
  O     13.65663644      7.89116548    -13.69617464
  H     12.52124093      9.06870824    -16.66934409
  H     12.09101456      5.23614253    -15.93732616
  O     14.31632678     10.94201906    -14.97432768
  H     19.15097307      7.06735846    -12.47087530
  H     11.16432970      6.42693296    -15.63039113
  O     11.00818525      4.90171922    -12.89839801
  H     20.02243824      7.72753627    -11.37614464
  H     12.42257978      7.74149179    -10.30119804
  O     11.09193244      7.42913624    -11.51501755
  H     10.94683113      8.74617499    -14.82235714
  H     13.51486331      8.77209030     -9.91590761
  O     15.70914032      4.56523918    -14.60200310
  H     12.30436329      8.01689004    -14.89279428
  H     16.53586360      8.29552510    -14.68089114
  O     11.24640542      5.47205898    -15.52536981
  H     18.34046957      2.85104087    -12.97333181
  H     16.37672030      8.86710229    -13.23338666
  O     13.19161408      7.88549692     -9.72894533
  H     17.83122549      4.11871148    -12.24632688
  H     14.98099819     10.91319467     -9.96395498
  O     16.16131781      9.02108203    -14.16299293
  H     18.44762024      6.49497471    -14.68217174
  H     15.36305377      9.72526176    -10.87252781
  O     14.62507990     10.29299974    -10.59579915
  H     18.79192998      5.29708382    -13.77892406
  H     17.48333391      8.25721474    -11.42267107
  O     16.54634250      8.48946638    -11.44740708
  H     16.46186076      6.04646389    -15.30244806
  H     16.05614669      7.69300740    -11.19287174
          69
 Energy    -248.83997753485082     
  O     11.72899893      5.24393674    -14.45814525
  H     11.65453627      5.84080632    -13.68923023
  H     16.28793124      5.25993765    -13.21614177
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  H     10.84272694      4.99854145    -14.70703182
  H     19.49244616      9.72082971    -12.36470483
  O     16.43580177     10.59812161    -11.43452623
  H     16.47351266      7.05357787    -12.20738067
  H     19.42223801      8.45192610    -13.23720659
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  H     17.43436257      6.35300494    -11.21978924
  H     16.77684169     11.65455470    -14.70982580
  O     13.65274290      3.84492665    -12.82617780
  H     16.40014508      9.82431954    -12.02149283
  H     17.69015189     10.89023072    -15.69247863
  O     13.78313169     10.06655842    -10.53652424
  H     17.25871313     11.05169455    -11.65483005
  H     17.04628023      8.38517687    -13.79571184
  O     14.00978949      5.96988447    -10.83096081
  H     17.03872940      8.77471596    -17.09330165
  H     15.50894905      8.69874642    -13.67423881
  O     15.12638800     11.67259428    -13.94258363
  H     18.02181525      9.69057858    -17.85308552
  H     12.54190495      6.58692575    -11.77472027
  O     17.82787296      5.40766725    -15.84088958
  H     12.92478506      4.16495994    -13.37335675
  H     11.76256505      7.80469195    -12.33453530
  O     14.36445410      7.89278647     -8.77611415
  H     13.65808642      4.40367169    -12.03896244
  H     16.82869271      9.48702521     -9.89920394
  O     18.55461209      7.93986402    -14.79713416
  H     14.67237281     10.37202276    -10.75193777
  H     17.61352592      8.21177199     -9.53363570
  O     15.91981792      4.82955033    -14.00165608
  H     13.89001259      9.34735214     -9.90176341
  H     19.39810371     12.29345830    -12.42217566
  O     19.68065633      8.77478704    -12.36339618
  H     14.92608074      5.98873191    -11.14022656
  H     18.51257022     11.52217874    -13.42985650
  O     17.70303523     11.50649815    -14.95316926
  H     14.00579830      6.53370217    -10.04760545
  H     19.68208798      6.74675631     -9.94939846
  O     16.31191740      8.49153757    -13.17806537
  H     15.37708179     11.49370546    -13.03084936
  H     19.23832142      7.72279443    -11.06578266
  O     11.77760149      6.84110165    -12.30999325
  H     14.66776849     10.87800485    -14.24853498
  H     14.70755606      6.00641896    -14.88122521
  O     16.88708343      8.77875205     -9.24705978
  H     18.30445521      4.63597149    -16.13502279
  H     13.20415764      6.08070358    -15.21444291
  O     18.86462301     11.50956398    -12.52034473
  H     17.15523333      5.09806451    -15.20919646
  H     11.38033764     10.36049866    -12.54865304
  O     18.91398509      7.13221697    -10.36143030
  H     15.29797023      8.15182651     -8.87997992
  H     12.61789037      9.83776234    -11.77953834
  O     14.05117281      6.51633387    -15.37413438
  H     14.18142364      7.89577232     -7.84010772
  H     13.88027103      8.25508703    -14.83827742
  O     12.00677445      9.64278147    -12.51294666
  H     18.41396339      7.03809217    -15.11219846
  H     13.22477454      9.26253782    -13.84430292
  O     13.95879290      9.14202646    -14.46181907
  H     18.41882249      8.52185505    -15.55631076
  H     15.27683865      7.09091756    -16.71361475
  O     16.10676501      7.28219147    -17.16768214
  H     15.16930669      4.30728500    -13.68414630
  H     16.71307404      6.58550048    -16.88625606
          69
 Energy    -248.83919451917001     
  O     11.92570576      8.70095085    -14.67967517
  H     12.70518823      8.32668698    -15.11340419
  H     19.56200826      8.93228174    -13.52733834
  O     17.19690638      6.70552091    -12.21194752
  H     12.12614823      9.63256091    -14.53510287
  H     15.26640352     10.78759806    -16.39338673
  O     17.41765618     11.01575443    -14.13043188
  H     17.49457716      7.07243045    -11.36376361
  H     15.92951119     11.43690360    -15.16238178
  O     14.69968206      4.91046505    -15.47836902
  H     16.36122591      6.27117804    -11.98860875
  H     16.44774839      9.44189448    -13.87063120
  O     14.28276295      8.38029636     -8.50943605
  H     18.20727583     10.68298991    -14.57880678
  H     16.37932401      8.05760985    -13.14460254
  O     14.79894319      5.80474173    -11.10181951
  H     17.66631709     11.16630890    -13.20992699
  H     10.22795612      6.70356907    -12.91581537
  O     14.08423527     10.07107390    -12.06758842
  H     14.51174123      4.13917635    -16.00591679
  H     11.38542814      7.52183091    -13.53895556
  O     17.98384839      8.09659871    -16.57663431
  H     14.16228890      4.83582174    -14.66884804
  H     17.05034353      8.52444421     -9.76888297
  O     15.66405010      6.04365110     -8.41220818
  H     14.86655193      9.07252523     -8.84480473
  H     17.07900735      7.10259540     -9.17603822
  O     19.63101402      9.69635762    -15.24018044
  H     13.64398197      8.21403849     -9.21652882
  H     12.48060442      5.46994007    -13.13776192
  O     17.33459583      5.91184288    -14.98255715
  H     14.17291556      6.54331598    -11.06152933
  H     13.79269265      5.03641171    -12.44783780
  O     19.39042133      8.70250886    -12.60396273
  H     15.11246461      5.67956331    -10.19788965
  H     19.02259635     11.44033044    -11.01576154
  O     15.11739775     11.42670627    -15.68662713
  H     14.69315709      9.55759181    -12.62172619
  H     18.74606824     10.10807875    -11.74891516
  O     15.86338963      8.71031078    -13.63380371
  H     13.58799203     10.63357301    -12.67252847
  H     16.79998567     10.48947923    -10.44295538
  O     11.17075454      6.83910955    -12.87746182
  H     17.74119794      7.30463966    -16.07390808
  H     15.31179000     10.18372235    -10.69387321
  O     17.58036540      7.71737508     -9.72601545
  H     17.17875388      8.46190780    -16.95766509
  H     14.87593578      8.00175141    -14.95405071
  O     13.23830648      4.87921795    -13.22436977
  H     15.61823285      5.60287915     -7.56857474
  H     14.41408285      6.71180239    -15.69743610
  O     18.33401401     10.93568966    -11.44183766
  H     15.14007001      6.86186156     -8.33245941
  H     13.23051252      8.66725977    -11.33023479
  O     16.01836096     10.09107956    -10.03945643
  H     20.40785896      9.89751301    -15.75334091
  H     12.20711258      7.51070219    -11.48487146
  O     14.32200616      7.67206113    -15.67919749
  H     19.08180823      9.09503382    -15.77803612
  H     13.63753056     11.42984566    -14.77360591
  O     12.90570513      7.85463733    -10.91558235
  H     17.39453430      6.03572994    -14.02859189
  H     12.37603146     12.20737550    -14.33216741
  O     12.83761758     11.38093952    -14.21943461
  H     16.48966867      5.47381228    -15.14246651
  H     15.00684997      8.66400784    -16.95388302
  O     15.51702390      9.26317435    -17.52649135
  H     18.89000351      7.88249374    -12.60981726
  H     15.16690052      9.16700173    -18.40870622
          69
 Energy    -248.83900173420005     
  O     15.82809973     10.75259408    -16.07728182
  H     16.20639182     10.57560654    -15.20747683
  H     13.95248129      4.99444331    -16.33418555
  O     13.01368483      6.00393679    -15.31146004
  H     16.53525022     10.50050793    -16.68791191
  H     19.03888992      6.27394831    -17.37789254
  O     18.45834156      7.33148499    -12.48287944
  H     13.36318108      6.14953894    -14.42110582
  H     18.53408027      5.40858989    -16.20217140
  O     18.27577069      7.01233484    -18.97406524
  H     12.52629727      6.80384153    -15.53740370
  H     18.13801415      8.65447282    -18.00077558
  O     15.64310206      6.44088027    -18.64247845
  H     19.21885328      7.21290180    -13.06729296
  H     17.45062403      8.61022427    -16.64019452
  O     15.19028610      8.54526862     -9.63682988
  H     18.01358190      8.13230305    -12.78500695
  H     15.57241523      7.72988167    -16.01183893
  O     14.18936176      6.56069964    -12.85689818
  H     18.53636714      6.82908481    -19.87242544
  H     16.58928264      6.64927655    -15.52886632
  O     17.13475566      9.51333469    -13.75146438
  H     17.33516003      6.76824773    -18.90093785
  H     13.75935220     10.04219633    -13.67477645
  O     16.94416230      4.83398807    -15.49432580
  H     15.16798702      7.22221849    -18.32710729
  H     14.07605617     10.70557420    -15.03573073
  O     14.05935330      6.10811120    -10.07274584
  H     15.27847763      5.69703867    -18.14940829
  H     16.93461619      5.38221728     -9.85971877
  O     19.51688822      9.81833800    -15.01889687
  H     14.72338737      7.69316451     -9.71093946
  H     16.82557516      3.89717765     -9.43205120
  O     14.54681489      4.45008434    -16.88285145
  H     14.87388772      8.96553675     -8.84116738
  H     12.35717052      9.20993340    -15.37093946
  O     19.28944646      5.92648082    -16.51442224
  H     15.04500477      6.11033047    -12.88200347
  H     11.05846288      8.87896543    -16.14480212
  O     17.89826546      9.21283447    -17.25285943
  H     14.36703287      7.50525028    -12.75653542
  H     21.37778752      6.89115944    -14.38200561
  O     16.36666489      7.58573518    -15.48256701
  H     18.00508989      9.77978187    -14.08657504
  H     20.07504963      6.72275864    -15.19905537
  O     13.35991663     10.34653661    -14.50139333
  H     16.82118909      8.78871490    -14.32261911
  H     17.31131337      5.91789150    -12.68522365
  O     16.46555851      4.54490833    -10.03142152
  H     16.80871111      4.77402593    -14.53817827
  H     16.58333358      4.80512962    -11.88963856
  O     11.93393206      8.55400168    -15.95366238
  H     16.13135918      4.56043817    -15.93877003
  H     16.89701140      7.63487470     -9.71284743
  O     20.46893331      7.17532168    -14.43124980
  H     14.75522781      5.44708611     -9.97107375
  H     18.04079195      7.17934053    -10.65093563
  O     16.65889695      5.20656610    -12.76388430
  H     13.89903734      6.17362320    -11.02434513
  H     15.66455467      9.45955082    -12.71096512
  O     17.61555350      6.99675863     -9.80255211
  H     19.13654297      9.71208411    -15.90192866
  H     14.91909541      9.15490229    -11.37867787
  O     14.79465527      9.27500487    -12.32834027
  H     19.97534052      8.98976715    -14.83093102
  H     14.79369650      9.39066182    -16.98356727
  O     14.41065028      8.55830258    -17.28711965
  H     14.05433586      3.67328316    -17.13347378
  H     13.50558132      8.52897782    -16.95273625
          69
 Energy    -248.83899031033997     
  O     12.75122496     13.74256845    -15.08444536
  H     13.45639503     14.27390820    -14.66910425
  H     14.19034430      8.75658492    -14.95286880
  O     17.11600022      7.73001660    -15.49947924
  H     12.01247784     14.33004902    -15.22016380
  H     16.22678897      9.71617204    -17.80136749
  O     14.34720978     10.78630398    -11.42205011
  H     17.62512503      8.02396646    -14.73545932
  H     17.15469669      8.87267455    -16.89267131
  O     17.50573023     15.36296633    -14.84309406
  H     16.29116347      7.37706805    -15.14451335
  H     14.48867319     11.18994753    -17.67403516
  O     14.66797672      7.23664934    -14.12784091
  H     13.73392280     11.00630626    -12.13895826
  H     13.89391399     10.27254543    -18.77128826
  O     12.66955445      9.38439114     -9.65775642
  H     13.81244420     10.42326671    -10.70556716
  H     18.10173625     14.15300418    -13.47388357
  O     13.96372358      7.14510626    -10.48748188
  H     17.49195305     14.84759821    -15.66846597
  H     18.60564715     12.70383800    -13.37280690
  O     15.94002428     11.53717558    -14.60796168
  H     17.95157173     16.18246824    -15.04182585
  H     19.28555396      8.59803685    -12.83449539
  O     12.58720493     11.28842098    -13.56233830
  H     15.12348847      7.65281007    -13.37893933
  H     18.59586521      9.71570009    -13.64921680
  O     15.90073656      8.53241483    -12.01423808
  H     13.83728690      6.89399259    -13.77612288
  H     11.55290017      6.03666572    -12.87695376
  O     18.64411037     11.21382855    -14.57847512
  H     12.43202039      9.38003257     -8.73494412
  H     11.88975948      7.52548364    -12.62863231
  O     13.96915291      9.65141987    -15.24262981
  H     13.12381460      8.54161048     -9.83896056
  H     15.34842749     12.31864315    -11.72091348
  O     17.14954373      9.55269077    -17.58294297
  H     13.41417222      6.80479370    -11.20457450
  H     16.61170528     13.13453474    -12.23705338
  O     14.39036081     10.26436902    -17.95721303
  H     14.75914236      7.49710278    -10.91015328
  H     16.43952713     13.56004749    -17.20062962
  O     18.29321109     13.44694843    -12.84183056
  H     15.31170534     10.80881751    -14.69426556
  H     17.91548325     13.09423251    -17.23936534
  O     18.44218192      8.87696568    -13.18265313
  H     15.72896701     12.05403801    -13.81932168
  H     15.28954945     12.36465224    -16.06966705
  O     12.27968859      6.64473279    -12.77200900
  H     12.55984822     12.14827242    -13.99554248
  H     13.99772538     13.13020228    -16.39000548
  O     15.64436381     13.06820157    -12.25015793
  H     12.98206520     10.67639196    -14.20396299
  H     11.62731385      9.28641849    -11.28322376
  O     17.35022890     13.86558615    -17.10704296
  H     15.46314447      9.37837344    -11.84444806
  H     11.58813343      9.91942839    -12.68838701
  O     14.76729159     12.72358368    -16.80570750
  H     16.80052148      8.70895403    -12.31420046
  H     15.65553952     15.28411006    -14.31046400
  O     11.32760099      9.13562616    -12.18859189
  H     18.95310703     11.32473655    -15.48467930
  H     15.00896319     14.43168648    -13.21447340
  O     14.80026585     15.04431811    -13.93662046
  H     17.67874829     11.32119390    -14.61926554
  H     18.31636768     10.79649128    -17.47907553
  O     18.95812216     11.52081956    -17.35388074
  H     14.04403510      9.69624492    -16.20287641
  H     19.65628108     11.38142126    -17.98748169
          69
 Energy    -248.83873524331290     
  O     15.14629541     11.41367177    -18.00112759
  H     15.84739354     10.81859248    -18.29265533
  H     17.53404832      9.57310710    -16.85878978
  O     19.54041365     10.64216335    -14.11820228
  H     15.40520902     11.72158178    -17.12254227
  H     14.25049728      9.73416910    -13.47541079
  O     13.47316110      5.11166345    -13.69901187
  H     18.96697557     10.33333903    -14.83951382
  H     13.97603402      8.41014934    -12.68907730
  O     13.68987080     10.50441988    -10.17572917
  H     20.35362423     10.93906418    -14.51815236
  H     13.62795695     10.58081794    -18.23516863
  O     12.58257808      7.28184568    -12.15074025
  H     13.25370448      4.18441655    -13.71387628
  H     12.33452088     10.38657346    -19.06350250
  O     13.40877494     11.10294869    -14.34717515
  H     14.34325461      5.19336276    -13.26332046
  H     16.14926099      8.05940937    -10.35444689
  O     14.71530657      7.81439617    -18.36532927
  H     13.47472512      9.62694155     -9.83279355
  H     14.90796847      7.30191832     -9.88018860
  O     13.09876670      7.79954876     -9.53249338
  H     14.64536091     10.51038994    -10.30308034
  H     11.17403459      8.99038727    -14.28251912
  O     16.64929884      7.70101856    -14.35261288
  H     11.86571691      7.77681154    -12.57648734
  H     11.05092735      9.77507164    -12.94784825
  O     14.23667781      6.93472169    -15.72102013
  H     12.76489468      6.48976913    -12.66940917
  H     18.15932334     11.70672077    -13.22832580
  O     18.52627040      8.73384169    -12.29154699
  H     12.95414329     10.45058736    -14.89973230
  H     16.97920393     11.52777769    -12.25478941
  O     17.63187387      9.77989297    -15.92121814
  H     12.83754740     11.31674463    -13.59829490
  H     16.32355986      6.16930036    -13.21045698
  O     14.66960457      8.99299046    -13.02196634
  H     14.53721511      7.36869131    -17.52712617
  H     15.87446761      6.08085894    -11.73269457
  O     12.85645871     10.00024192    -18.36556479
  H     14.00480071      8.45782277    -18.47946678
  H     17.23466028      9.60656140    -11.37877017
  O     15.78157315      7.17456858    -10.27009690
  H     12.84290066      7.55780510    -10.44025804
  H     15.73699007      9.65941126    -11.75285153
  O     10.82569966      8.94257317    -13.38191788
  H     12.47842247      7.37479613     -8.94604771
  H     17.45471743      9.05244845    -19.38670759
  O     17.30828511     12.08219151    -12.97091008
  H     17.05622993      8.34782371    -14.94406482
  H     16.21898412      8.67919211    -18.53295405
  O     15.85757697      5.60943961    -12.57910565
  H     15.96849078      8.17594895    -13.84502453
  H     11.35659820     12.02039717    -11.67363609
  O     16.38401215      9.98412201    -11.10549142
  H     15.09624958      7.16906658    -15.34884322
  H     12.50936651     11.03939084    -11.36756198
  O     16.99284101      9.26907736    -18.58150673
  H     13.88815637      6.23232456    -15.15800437
  H     14.96611748     11.64328322    -14.99893010
  O     11.86120217     11.30112869    -12.04490687
  H     18.03856374      8.19395052    -12.92242943
  H     16.36765639     12.07157375    -14.50978786
  O     15.86882645     11.81995885    -15.30067741
  H     19.04195242      9.34833887    -12.82994284
  H     12.95255501      8.30482122    -15.73663840
  O     12.31776396      9.03116854    -15.80317988
  H     16.98346186     10.47007976    -15.71077212
  H     12.36625414      9.36055539    -16.71021307
          69
 Energy    -248.83869420861532     
  O     14.63633411     10.06528604    -10.70247438
  H     14.52084423     10.48040281    -11.56963415
  H     17.61110846      3.02842320    -10.84108617
  O     12.85237545     10.08494765    -16.53046220
  H     15.47066000     10.36961654    -10.32784879
  H     13.34200366      8.99840278     -9.98283406
  O     16.96934712     10.49808565    -14.22333690
  H     12.95658819     10.97279695    -16.16674435
  H     12.33447041      7.93586894    -10.47691729
  O     13.22450553      5.19245071    -12.60964617
  H     12.78982149      9.49020700    -15.77137674
  H     14.54322131     12.47486009    -15.80230276
  O     16.89720649      8.15007903     -8.46238637
  H     17.59208731     10.52190169    -13.48925854
  H     13.41567123     13.50139742    -15.52854727
  O     16.07639336     11.95982333    -16.46598182
  H     16.08264026     10.58985547    -13.84607127
  H     13.70819704      7.83384105    -14.32050248
  O     15.65150761      7.64148204    -11.74584492
  H     13.76194498      5.09451061    -11.81020935
  H     12.44707826      8.18426619    -13.49359368
  O     14.33336760     10.82217836    -13.31593901
  H     13.83460897      5.46051116    -13.30805019
  H     14.98166442      9.49259048    -18.85626450
  O     18.38299553      7.60512716    -12.14282631
  H     16.06321095      7.71205969     -8.26363945
  H     14.28669393      9.78811700    -17.50567343
  O     18.68045128     10.43912402    -11.95138470
  H     17.49836944      7.46603334     -8.79401108
  H     10.65908683      7.01872938    -12.14789737
  O     17.52899986      5.15411626    -13.23812003
  H     15.87839439     11.25057769    -17.09138184
  H     12.10320399      6.47514600    -12.27279151
  O     17.32241036      3.93631110    -10.81054264
  H     16.55649665     11.54178334    -15.73798588
  H     13.98095031      6.61048056     -7.24930952
  O     12.79489371      8.25472956     -9.69225691
  H     15.39580468      6.87762871    -11.21079563
  H     13.76312207      7.30906889     -8.61441694
  O     13.67534223     12.59747928    -15.37556702
  H     15.25799917      8.42751018    -11.35233820
  H     15.72825665      4.76255813    -10.40734450
  O     13.04166605      8.51746170    -14.17731970
  H     13.88023886     10.01668427    -13.60658971
  H     14.78404670      5.64312947     -9.50873489
  O     15.15284098      9.70006697    -17.94179037
  H     14.04902726     11.53156465    -13.90531775
  H     18.21509379      5.40496569     -9.90436977
  O     11.57611785      7.27876782    -12.11013131
  H     17.42599062      7.64139227    -11.98052092
  H     18.65968601      6.74532539    -10.49907215
  O     14.39373562      6.78007346     -8.09162899
  H     18.67182109      8.52143658    -12.18291847
  H     15.62424839      7.07644653    -14.89084228
  O     14.92232165      5.29537912    -10.39854605
  H     19.49308472     10.92370118    -11.82469711
  H     15.32327045      6.97965342    -13.36100260
  O     18.53484187      6.28052649     -9.66010205
  H     18.18702988     10.49656348    -11.11775192
  H     17.12095357      9.67469847     -9.16602359
  O     15.13471749      6.57029234    -14.22163058
  H     16.75634085      5.43160528    -13.74053184
  H     17.30801145     11.18433665     -8.88216427
  O     17.20206857     10.55170855     -9.58797200
  H     18.00689179      5.96858384    -13.02646011
  H     16.06112724      8.66084477    -16.64411797
  O     16.44713046      8.25014775    -15.86151138
  H     17.41349019      4.29063358    -11.71368371
  H     16.74871099      8.97659342    -15.30002269
          69
 Energy    -248.83865546877658     
  O     -1.98758251      1.92515042      0.61794152
  H     -1.15527560      1.46744610      0.40064139
  H     -3.09875098     -4.87127936      2.02128476
  O     -1.60697189      0.36263598      6.00680010
  H     -1.92795440      2.80041134      0.24516794
  H      2.03932486     -2.13148608      2.59386211
  O     -1.84687791      0.84255084      3.21951444
  H     -1.76553292      0.70664398      5.11841689
  H      2.11372592     -3.60800654      2.13890096
  O      2.25517016     -3.65620050      5.34281583
  H     -0.81328926     -0.18498451      5.93676642
  H     -0.82471237     -2.36245078      0.52271028
  O     -3.45212504     -1.34171291      7.00900733
  H     -1.03611853      0.33706408      3.07758649
  H     -0.20797007     -3.46527619      1.41683522
  O      0.29894051     -1.63233827      5.42083760
  H     -1.96433844      1.37416199      2.42195488
  H     -3.57663978     -2.39121872      2.86813597
  O     -0.09492929     -5.25253259      4.94794771
  H      2.43112274     -3.44431662      4.40824900
  H     -2.27422063     -3.04264824      2.34525104
  O     -5.58961459     -0.84650744      5.25502471
  H      3.09836218     -3.83583973      5.74925576
  H      0.88710536     -4.80970331      0.20926926
  O      0.26464739      0.47771668      0.19356430
  H     -2.82548516     -0.66569382      6.69122337
  H      0.59709855     -5.49737500      1.59053514
  O     -0.40843736     -6.61853873      2.64174925
  H     -3.42837616     -1.30967497      7.96188091
  H     -4.76904855     -0.66846926      3.66082385
  O     -2.33612464     -4.80782581     -1.12060270
  H     -0.49841587     -2.18350696      5.39760195
  H     -3.41094462     -0.15688665      3.08682786
  O     -2.85513575     -5.62580603      1.46911569
  H      1.03803660     -2.23716892      5.55508511
  H      0.55914276     -5.06456601     -2.32219081
  O      2.51090748     -2.95788064      2.73612503
  H      0.73353382     -4.79644879      5.13698093
  H     -0.66139985     -4.74389910     -1.41990699
  O     -0.79769304     -2.69959196      1.42646598
  H     -0.80215029     -4.65120757      5.21594879
  H      0.51634392     -0.98979972      3.73651622
  O     -3.05470726     -3.20355006      2.89770811
  H     -4.91197150     -1.03616937      5.92078744
  H     -0.00774933     -1.44943315      2.34650384
  O      1.04734531     -4.75720948      1.16077028
  H     -6.38967912     -1.26590634      5.56300442
  H     -1.39747670     -1.89013203     -1.52046403
  O     -4.19617474     -0.68317674      2.88225437
  H      0.11681398     -0.28835195     -0.37802884
  H     -0.07543909     -2.70235061     -1.44860775
  O      0.29567529     -4.58909949     -1.53946470
  H      0.56053498      0.13714966      1.04593498
  H     -3.47619641     -1.47378949     -1.01675756
  O      0.49751567     -0.75285297      2.79826015
  H     -0.33204563     -7.55234894      2.81918416
  H     -3.80026456     -1.98167149     -2.43893018
  O     -0.47560956     -1.85206903     -1.22780430
  H     -0.30994640     -6.16187656      3.49701065
  H     -2.56421486     -2.72631026      6.01811146
  O     -3.21848573     -2.12243170     -1.69662747
  H     -2.58779511     -5.12431910     -0.23997172
  H     -2.41703164     -3.25554004      4.56146325
  O     -1.98966072     -3.22957704      5.43127605
  H     -2.78192983     -3.96503379     -1.25939501
  H     -4.08028571     -0.45013281      1.05493846
  O     -3.78417201     -0.25888768      0.15513521
  H     -2.08207451     -6.02188786      1.88765043
  H     -3.23400919      0.53017349      0.22260581
          69
 Energy    -248.83860477355034     
  O      2.74984625     -1.17217543      7.17155803
  H      3.51610928     -1.49509886      6.67972893
  H      5.52181099      1.05973013      5.54694885
  O      0.27935163     -4.62225778      2.99859584
  H      2.52463989     -0.29351945      6.83033728
  H      4.18285194      1.51201743      2.78795845
  O     -1.54755662     -0.99698960      6.20607200
  H     -0.05397696     -4.76839932      3.89486729
  H      3.92100195      2.43989353      3.98308192
  O      1.57969901     -5.41473689      7.62923508
  H     -0.22217598     -3.88083898      2.64128248
  H      1.85847825      1.70971002      3.33545425
  O      4.77736773     -2.12162123      5.57009515
  H     -0.68951289     -1.33546246      5.90577846
  H      1.23206571      0.30774159      3.32330867
  O      3.47856905     -4.61266947      5.89278392
  H     -1.99353050     -1.75548814      6.59969259
  H      5.98482240     -0.00196150      1.69959053
  O     -0.13204872     -3.57773489      8.99211333
  H      1.86221639     -6.24019143      8.01439382
  H      4.97279342     -0.83561240      2.51192969
  O     -0.17839513      0.71687563      7.98704788
  H      2.30589824     -5.11439773      7.05349161
  H     -0.79045314      0.56999603      3.56324447
  O      1.34317479     -1.24207479      9.50220892
  H      5.33488121     -1.32944696      5.59504526
  H     -1.70947387     -0.27748270      4.47064030
  O     -2.29045262     -3.48382636      7.37725309
  H      4.50716188     -2.21732488      4.64710564
  H      4.40323837      3.29211004      6.38679094
  O      4.02240388     -2.34207329      2.84781061
  H      4.04105134     -3.82900938      5.92105383
  H      3.43758691      2.11968754      6.10446088
  O      6.02592825      0.29133728      5.25132699
  H      3.31716513     -4.79239212      4.95833333
  H      1.49829689     -1.99470483      6.10813892
  O      3.60198731      2.21609532      3.10010737
  H      0.34554660     -2.77852137      9.24793200
  H      0.54076682     -3.11169022      5.55105877
  O      1.07364881      1.21676899      3.61643210
  H      0.52352393     -4.18699998      8.63068498
  H      3.17671671     -5.77553297      2.63474659
  O      5.40012829      0.03386477      2.45315917
  H      0.19400395      0.09736372      8.62485929
  H      2.02373466     -4.82092058      3.01337535
  O     -1.52971182     -0.05045958      3.54870236
  H     -0.78128646      0.20143729      7.43364812
  H     -1.28259102     -1.47339458      2.53248002
  O      4.30889879      2.48892831      5.88101899
  H      1.88438092     -0.99514785     10.24806293
  H     -1.53067122     -2.16658278      1.17559252
  O      0.83169157     -2.19867991      5.44056252
  H      1.92755682     -1.25535719      8.72410598
  H     -1.13363055     -4.39842169      6.19846058
  O      2.98394981     -4.96145323      3.09302919
  H     -1.56873978     -3.49045090      8.03368770
  H      0.23323766     -5.12173946      6.36782733
  O     -1.01347154     -2.22544993      1.97457510
  H     -3.07450896     -3.79057448      7.82425618
  H      1.12772015      1.25046624      6.89250893
  O     -0.37024625     -4.74141688      5.71594256
  H      3.14367433     -1.93059536      2.80206505
  H      1.52111214      1.28191244      5.37614218
  O      1.87345067      1.30395926      6.27705320
  H      3.85071461     -3.29029200      2.81625168
  H      1.27776677     -1.72512211      3.81322086
  O      1.48604775     -1.42802767      2.91176773
  H      5.94788523      0.28375282      4.28878037
  H      0.73288673     -1.69152323      2.37047869
          69
 Energy    -248.83852080040958     
  O     16.06388042     13.11519890    -12.16021108
  H     15.71948266     13.74123715    -12.79121264
  H     14.27927758     11.72903910     -6.25762077
  O     18.43596409      6.88096123     -4.76102040
  H     16.45627143     13.63722052    -11.43615283
  H     15.38282597      8.28793485     -7.47462269
  O     16.07700868     13.37552235     -7.82705639
  H     17.46359742      6.91700101     -4.80467005
  H     13.98303512      8.91606655     -7.63888167
  O     15.72037907      7.13830048     -4.75484107
  H     18.66163110      6.01009632     -4.44502471
  H     19.18018270     11.29821343    -11.01735080
  O     13.27643492     10.16548340     -8.93843238
  H     16.41459421     12.53157849     -8.16378055
  H     19.93143899     10.51899740     -9.87265363
  O     19.83069957     13.91994790     -9.20502922
  H     15.19932597     13.17914317     -7.47637598
  H     16.68195796     14.24064688     -9.30885020
  O     18.61444925     13.36772721     -6.64358180
  H     15.18533214      7.42075056     -5.50651975
  H     18.09843107     14.42470589     -9.87892370
  O     20.49567559      8.85374267     -9.24782168
  H     15.55048359      7.77856304     -4.05164981
  H     18.49006296      8.48614818     -3.63754948
  O     16.97938406      8.41149498     -8.19514778
  H     12.38930926     10.10822897     -9.28801354
  H     18.40017340      9.98543592     -3.97204717
  O     15.42890535     10.53499463     -5.39028149
  H     13.85107677     10.37537237     -9.69095381
  H     16.42265885      8.30111358    -13.18874953
  O     15.03508789     10.76034719    -11.04381780
  H     20.68511129     14.27490598     -9.43645512
  H     17.17963858      8.46412982    -11.84962440
  O     13.75217990     12.22746019     -6.89886306
  H     19.80889860     13.00466087     -9.53312581
  H     16.33666181     10.96603956     -9.75961048
  O     14.53411304      8.42135223     -7.02181492
  H     17.69474734     13.52873861     -6.89852040
  H     17.83869412     11.17984588     -9.38368093
  O     19.52747508     11.36065684    -10.11322092
  H     19.13630144     13.61574731     -7.41443866
  H     18.46035653     11.74195244     -5.92567475
  O     17.16552495     14.46560473    -10.11754686
  H     20.15224521      8.75754762     -8.34320559
  H     17.26025304     10.79638646     -5.62320459
  O     18.29727199      9.34831213     -3.25051420
  H     21.39621698      8.53887707     -9.23108288
  H     19.18297856      7.94470998     -6.07685528
  O     16.60078696      8.92084446    -12.48655664
  H     17.75742415      8.33297791     -7.63018186
  H     19.03475280      9.46175028     -6.38623052
  O     16.95850878     11.01279350     -9.02166439
  H     16.93227832      9.34872141     -8.44424441
  H     19.05654549      8.05791111    -10.34313305
  O     18.22557496     10.85195898     -5.62729505
  H     15.38019041     10.22948122     -4.47604123
  H     17.64497974      7.83692533     -9.80971651
  O     19.35514846      8.61883414     -6.74672471
  H     15.12873987      9.79819835     -5.94079006
  H     15.33283182      9.48243854     -1.97505039
  O     18.17574274      7.78183412    -10.61745850
  H     15.25037659     11.60831135    -11.45723163
  H     16.58103337      9.34266485     -2.88165180
  O     15.60832749      9.28841736     -2.86634895
  H     15.47056201     10.07279103    -11.56651378
  H     17.55807127     11.96720824    -12.49669198
  O     18.22808290     11.27197692    -12.51033987
  H     13.51380723     11.59299354     -7.58384961
  H     17.74222250     10.44719104    -12.63151334
          69
 Energy    -248.83839119842597     
  O     16.69137018      6.95737357    -12.29745548
  H     16.54828518      6.53268322    -13.15171102
  H     15.02949960     12.53590892    -11.44416484
  O     12.31080498      7.51735199    -11.04072578
  H     16.24149221      7.81558698    -12.35015722
  H     15.85664358      9.92736750    -12.98925059
  O     13.63483726     11.22665505     -8.70390233
  H     13.18169349      7.21138833    -10.75207574
  H     14.45011159      9.31176244    -12.73032832
  O     19.17247031      9.52517749    -14.56231067
  H     11.83563562      6.74780841    -11.37997426
  H     15.90507398     10.28108303    -15.60286914
  O     12.42951157      5.31357954    -14.68467145
  H     12.84746409     10.78546415     -9.07163750
  H     15.38629526     10.41938414    -17.05011081
  O     15.98951101      5.98370477    -14.81613802
  H     13.40217279     11.52764429     -7.82999729
  H     14.20030523      4.94243633    -10.88442895
  O     12.72968959      9.08131160    -13.27245941
  H     18.71346335      8.85746239    -15.10319073
  H     12.89947230      4.47982511    -11.57213070
  O     17.85218243     10.61264302    -10.32356801
  H     20.01900649      9.67836556    -14.97344533
  H     17.20891545      7.09525031    -15.67891741
  O     14.66669718      3.67496517    -13.95359448
  H     13.15887046      4.68920488    -14.57943196
  H     16.94797637      8.46180122    -16.33824466
  O     15.45855359      9.27523459     -9.58533489
  H     12.81325813      6.11304128    -15.06504904
  H     11.50130956     10.53692021    -10.79360944
  O     18.96088096      8.59639836    -11.85817946
  H     15.63927385      5.11268639    -14.59229210
  H     11.74896662      9.11135248    -10.24958830
  O     14.09724832     12.52362912    -11.20092255
  H     15.22571050      6.55677373    -14.97858820
  H     15.06702390      7.42580504     -9.76183367
  O     15.35151229      9.36606581    -12.39010031
  H     12.52248234      8.51427741    -12.51497487
  H     15.53917578      6.57542887    -10.94458923
  O     15.52543244      9.78754479    -16.34847985
  H     12.36559837      9.95678483    -13.08953729
  H     11.59597139      5.29489438    -13.14703786
  O     13.82346256      4.24015216    -11.42925476
  H     17.14519618     10.15165640     -9.85683093
  H     10.39801213      4.81609796    -12.29073320
  O     17.65289973      7.86472598    -16.06028384
  H     18.33800879      9.92758153    -10.80727430
  H     17.35201658     13.37672420    -11.69999683
  O     11.57510685     10.02355935     -9.98002592
  H     14.84125160      2.74137227    -14.03559976
  H     17.26460018     11.88165954    -11.30940851
  O     14.86126244      6.61930465    -10.25300377
  H     14.44334079      3.83799504    -13.01976472
  H     14.34151104      8.38557364    -15.83211489
  O     11.25067472      5.23883032    -12.23787641
  H     15.39571947      9.38714652    -10.54709677
  H     13.37746588      8.17340486    -14.65312837
  O     16.89228141     12.56520726    -11.89801766
  H     14.86029318      9.92055152     -9.18996483
  H     11.32732099     12.29770158    -12.69955987
  O     13.83902404      7.70680917    -15.36661006
  H     19.13887194      8.87937776    -12.76242128
  H     12.68199893     11.96156145    -12.02897904
  O     11.86914683     11.57278471    -12.40081877
  H     18.29969989      7.89575292    -11.93260694
  H     16.85904219     11.64130208    -13.48919118
  O     16.80465745     10.97412449    -14.18656362
  H     14.04798755     12.18604772    -10.29721165
  H     17.67672875     10.56089738    -14.26497442
          69
 Energy    -248.83830936447706     
  O     11.76950747     10.68318932    -14.15272847
  H     12.48204682     11.28820353    -14.38702621
  H     14.57019948     10.03857693    -17.16748177
  O     15.52083969      6.33748305    -12.94749552
  H     11.97766759      9.83752277    -14.57165319
  H     15.85834535      8.94569767    -14.86000403
  O     17.29930835      9.92036201    -15.56762624
  H     15.36869315      7.14639686    -13.46218010
  H     15.02641192      9.38455780    -13.63921596
  O     15.82288615      9.84830727     -8.85190699
  H     15.02013676      6.45048467    -12.12984516
  H     11.26535404     10.26625927    -12.54118043
  O     14.10422050      7.07769299    -10.69869610
  H     17.88346546      9.31314709    -16.04031677
  H     10.20249384     10.25810934    -11.41536766
  O     15.17823363     10.91155133    -12.65607644
  H     17.67895403     10.10232446    -14.69905061
  H     18.45928158      7.47989129    -10.86611473
  O     16.11358177      6.91243612    -17.28435723
  H     15.87930923      8.90629168     -8.65165351
  H     18.51106382      8.66397538     -9.88804699
  O     16.11818867      6.98340114     -8.71502802
  H     15.00726314      9.95526912     -9.35974145
  H     12.49954814      6.99663705    -11.87577366
  O     18.58133808      7.97344058    -17.10240094
  H     13.95081973      8.03395928    -10.69467382
  H     11.44204985      8.07780925    -12.14130785
  O     16.22048842      4.96148196    -15.20973574
  H     14.72206237      6.91320350     -9.97513449
  H     17.95292625      9.16618813    -12.78172538
  O     18.89337408      6.09684424    -14.97529905
  H     16.13484705     10.78113893    -12.71602400
  H     18.07702523     10.41135388    -11.88449277
  O     15.00819017     10.84720270    -16.87904600
  H     14.88871398     11.50497153    -13.36158188
  H     18.55787549      6.93988636    -13.41579624
  O     15.13867012      8.66978283    -14.28003222
  H     16.02125019      6.21940164    -16.61816969
  H     17.22458238      6.97181056    -12.64196703
  O     11.06027613      9.91832729    -11.65443950
  H     15.25586121      7.34165020    -17.37884955
  H     17.30808632     10.39720819     -9.60233638
  O     18.44291808      7.70284869     -9.92480484
  H     16.29587680      6.43240386     -7.95744107
  H     18.60801940     11.22325386     -9.47225865
  O     11.81079077      7.25934150    -12.49701758
  H     16.97724848      7.16110094     -9.13841204
  H     13.03264599      8.26640912    -18.24006360
  O     17.86947426     10.13228214    -12.78579536
  H     17.69723091      7.59230619    -17.26255434
  H     13.14787522      8.20604405    -16.70080756
  O     18.11076426      7.35625838    -12.66605649
  H     19.02689825      8.00809965    -17.94431621
  H     14.18053956     10.28541590    -11.33111339
  O     18.16678552     10.58249807    -10.02358105
  H     15.95918973      4.04397402    -15.20015965
  H     12.73785625      9.94154039    -10.86496370
  O     13.65192627      8.35231690    -17.51909501
  H     15.92435688      5.34277967    -14.36631293
  H     14.00571018     13.22230035    -15.05734302
  O     13.66953038      9.84762228    -10.63353491
  H     18.08394128      5.58857407    -15.10861023
  H     14.36691375     11.81715709    -15.59455757
  O     14.04908543     12.30197378    -14.81195168
  H     18.93639005      6.71623132    -15.71434387
  H     13.50197038      8.30035969    -14.79097330
  O     12.57996345      8.10193084    -15.02117087
  H     15.87820473     10.58811416    -16.54264016
  H     12.20968426      7.67047064    -14.23834063
          69
 Energy    -248.83811927441877     
  O     -8.47893586     -1.31788558      6.55193101
  H     -9.20070907     -0.67917503      6.50925983
  H     -5.50359183     -3.16007888      0.34644356
  O     -9.79609269     -2.74061579      2.59409706
  H     -7.69157851     -0.84022020      6.83894568
  H     -4.04217672      0.88012232      2.26412422
  O     -8.15349857     -3.39747906      4.85792568
  H     -9.29484465     -3.07459646      3.34659869
  H     -2.75249591      1.57497592      2.73247582
  O     -4.84099845      0.29478383      0.74402257
  H    -10.18557143     -1.90910037      2.89847765
  H     -7.17584449     -0.42630447      3.52071578
  O     -7.14916491      2.07883121      5.59762052
  H     -8.31339350     -2.66971990      5.48671383
  H     -7.51344996      0.94639318      4.19334652
  O     -4.77575705      4.77580520      0.38107849
  H     -8.19798908     -4.20699305      5.35923197
  H     -5.41236713     -0.14434968      6.51474526
  O     -9.53767055      0.50777543     -0.47965379
  H     -5.01541224     -0.65246037      0.70257606
  H     -5.57802004      0.07396116      8.03868651
  O    -10.67371686      0.51166866      6.26369711
  H     -5.71054799      0.72584397      0.75804574
  H     -9.99222225      4.90798674      2.60063420
  O     -4.42692642     -0.48999395      5.14033291
  H     -6.45547645      2.57718838      5.13823299
  H     -8.69539270      4.09514199      2.42783334
  O     -3.49482237      2.42540526     -0.43835024
  H     -6.73657973      1.49985940      6.24796819
  H    -10.84090250      1.05545069      2.26810732
  O    -10.43553358     -0.19077760      3.55019973
  H     -4.31300053      3.97906700      0.07869549
  H    -10.45844715      2.51535465      1.93095121
  O     -5.76905795     -2.36053031      0.79182978
  H     -4.09353088      5.40235049      0.61169260
  H     -6.79203714     -2.57526831      3.94506880
  O     -3.60703231      1.27465057      3.03581215
  H     -9.97424944      0.66964275     -1.31108243
  H     -6.01051679     -2.20580294      2.63497412
  O     -7.71525718      0.37094429      3.44407875
  H    -10.08003775      0.93320865      0.20991896
  H     -8.90667847     -2.31260617      1.10183768
  O     -6.05572043      0.07376075      7.21393322
  H    -10.39710481      1.40259895      5.98062695
  H     -8.81900504     -1.20300756      0.02304318
  O     -9.61489785      4.04122210      2.73546662
  H    -11.40610199      0.62916264      6.86229725
  H     -9.78925717      3.29517642      4.50933579
  O    -10.82911628      1.70905007      1.55426254
  H     -4.05720661      0.14626519      4.51808649
  H     -8.81514160      2.70429260      5.54408655
  O     -6.15244925     -1.96275821      3.55761914
  H     -4.95218740     -1.10207085      4.60425226
  H     -4.73246732      2.67923964      3.65236238
  O     -8.37357457     -1.98672864      0.36042658
  H     -3.17110344      2.19912493     -1.30763361
  H     -5.89383552      3.62159008      3.25527468
  O     -9.75332743      2.89024739      5.38220930
  H     -3.93225068      1.62745682     -0.10394409
  H     -8.03258621      1.12790247      0.36083560
  O     -5.35518221      3.32796325      4.00126505
  H     -9.48322320     -0.01157209      3.50153001
  H     -7.51333888      1.02687765      1.82981334
  O     -7.31740467      1.39171025      0.95146991
  H    -10.68675626     -0.02942668      4.46663689
  H     -7.13352202      3.09040684      1.42228690
  O     -7.02262247      3.98633978      1.77583591
  H     -6.71368257     -2.22317220      0.58471028
  H     -6.30883864      4.39126588      1.26404914
          69
 Energy    -248.83800636688855     
  O     -8.56733291     -0.85623172      6.17351969
  H     -7.63222617     -1.04929403      6.31941318
  H     -8.31147776      0.59598731      3.28945932
  O    -10.07876195      0.16243972      2.96875356
  H     -8.66807264      0.10103635      6.23124716
  H     -5.38065382     -1.54263809      5.51670056
  O     -9.55096531     -2.36927757      4.16452837
  H    -10.00062004      0.00636809      2.01240182
  H     -5.24521544     -1.79690026      7.03813973
  O     -5.33535710      0.63582361     -0.01580633
  H    -10.10143697     -0.70459440      3.38666698
  H     -0.45192213      1.38755613      1.37298981
  O     -6.00821907      1.36004087      5.69024008
  H     -9.22814132     -1.86979182      4.93714727
  H     -1.52417926      2.35056043      1.93828900
  O     -3.80109615      5.02378589      0.84700107
  H    -10.13919281     -3.04159152      4.49687155
  H     -8.98124672      3.59531613      3.64691270
  O     -9.38736800      2.66453473     -0.18798309
  H     -5.89065368     -0.12760966     -0.21053792
  H     -7.52771027      4.12584649      3.80012468
  O     -4.82701596     -1.81567592      3.90319847
  H     -5.92935358      1.32299316      0.32397642
  H    -10.38347106      2.01531475      2.79803143
  O     -3.35280364      2.62372905     -0.38989171
  H     -6.83067897      1.68024900      6.08249993
  H    -10.13418309      2.95782673      1.61071905
  O     -7.16137354     -1.52363683     -0.19588332
  H     -5.84228124      0.47346194      6.03555808
  H     -8.04059960     -2.31986904      2.99060635
  O     -3.73693761      0.20832026      2.25420243
  H     -3.59749487      5.73245937      0.24233463
  H     -7.19763681     -1.05972456      2.72183101
  O     -7.34836616      0.65036565      3.19711638
  H     -3.68886443      4.19363458      0.35040091
  H     -8.84292668     -0.54091010     -0.00677661
  O     -5.75286693     -1.31797108      6.38909840
  H     -8.50903647      2.65311481      0.23145989
  H     -9.62367933      0.79770165     -0.03937994
  O     -1.39143753      1.54317101      1.40924031
  H     -9.34705688      3.29983866     -0.89768758
  H     -9.08093347      2.49831511      7.03492660
  O     -8.28073296      3.78429541      4.29060845
  H     -4.36060703     -1.15590840      3.37288358
  H     -8.52510430      2.70318551      5.60958285
  O    -10.27190931      2.94691930      2.56417519
  H     -5.59437810     -2.08279819      3.38128846
  H     -2.76543238      3.37951193      3.36802428
  O     -7.26958573     -2.00426853      2.50441599
  H     -4.02086031      1.92828375     -0.43866625
  H     -2.55563242      4.35351945      2.19879932
  O     -9.65943149     -0.11506266      0.27595683
  H     -2.60568718      2.23113071      0.07872025
  H     -4.12779031      1.65804223      3.34118568
  O     -8.59875595      2.05956273      6.33912396
  H     -7.18688495     -1.80112513      0.73586196
  H     -4.79877835      2.12785112      4.65552665
  O     -2.08186498      3.77082079      2.80435248
  H     -7.14926077     -2.32134678     -0.71947685
  H     -7.19354576      1.80505508      1.86011596
  O     -4.26007686      2.42797662      3.91070684
  H     -2.85804655      0.51044196      1.99171111
  H     -6.62857629      3.21472773      1.58441180
  O     -7.02598439      2.44746526      1.15331847
  H     -4.30147702      0.29521377      1.47350332
  H     -5.31150159      3.71851552      3.19004488
  O     -5.83813984      4.37296741      2.70526851
  H     -6.96154370      0.91038038      4.03941218
  H     -5.22115639      4.78990807      2.09065107
          69
 Energy    -248.83771834895430     
  O     12.56487686     10.86638089    -14.81862271
  H     13.05824656     10.25293711    -15.37540912
  H     14.30304228      5.74016707    -15.68134457
  O     15.82936547      6.32236198    -12.96884895
  H     13.14546652     11.62479931    -14.68264856
  H     19.45722425      7.56881415    -14.37638096
  O     17.40766643     10.42007658    -10.69446473
  H     16.64955758      6.02689091    -12.55530630
  H     19.55674485      8.43699864    -13.09624863
  O     18.11754635     10.19621042    -15.09142396
  H     15.20433396      6.55737824    -12.26915954
  H     15.35644443     10.65561076    -16.53137599
  O     12.68331471      6.77542648    -15.85312529
  H     16.66223300     10.64495735    -11.26908826
  H     16.74001534     11.07215708    -15.97869527
  O     15.11901854      9.90521528     -8.78009671
  H     17.40212567      9.46255083    -10.52229799
  H     16.73411177      9.18558891    -14.33950823
  O     13.95452489      7.17304293    -11.08596174
  H     18.57667868      9.48609576    -15.56020685
  H     15.97664288      7.98417481    -13.65165204
  O     15.30305833     11.03289685    -12.42873933
  H     18.59925623     10.36275947    -14.27093093
  H     11.62725275     10.22923307    -13.51047380
  O     16.61906441      7.29622702    -16.96179568
  H     12.45406684      6.88484165    -14.91253229
  H     10.26883114     10.16969443    -12.76905842
  O     15.17860296      7.18961788     -8.53778679
  H     11.92206716      6.38987546    -16.27844691
  H     16.78434874      7.42718884     -9.53661257
  O     19.13936396      7.86445410    -16.21758458
  H     15.90905029     10.25162041     -9.20750542
  H     17.81926735      7.00929588    -10.60814039
  O     15.20212497      5.41855538    -15.54458067
  H     14.39765855     10.01324043     -9.41647917
  H     12.66549775      6.99694731    -12.49853572
  O     19.55442130      7.52752085    -13.41715325
  H     13.75206169      8.11980467    -11.07722794
  H     11.67974450      8.03939416    -13.06197547
  O     15.91327953     11.42035226    -16.34167789
  H     14.28829350      6.97863264    -10.20220875
  H     20.16918416     10.76832554    -12.28807126
  O     15.88876502      8.88834506    -13.97957757
  H     15.10016311     11.76364751    -13.02334574
  H     18.73171126     10.37884015    -11.88739781
  O     11.15970328      9.83098876    -12.75381913
  H     15.45858181     10.25206688    -12.98453379
  H     18.84506030      4.91623633    -11.78362277
  O     17.49643057      7.75896951    -10.09586636
  H     16.21583069      6.53214729    -16.52047893
  H     18.82356573      6.32289444    -12.43430991
  O     12.08458468      7.18244809    -13.24575164
  H     15.92263454      7.95679510    -16.99166113
  H     13.96758006     10.37177279    -11.47197644
  O     19.39826475     10.29382172    -12.58938864
  H     15.13905025      8.16327295     -8.51056753
  H     12.48135137      9.93698861    -11.43268886
  O     18.32572216      5.71128375    -11.86074556
  H     15.04901859      6.88436588     -7.64433042
  H     14.60702259     13.78527608    -14.62636139
  O     13.30802174      9.90336758    -10.93749218
  H     19.73714345      7.65097333    -16.92857884
  H     15.10315002     12.42484014    -15.17560908
  O     14.59374963     12.84702258    -14.45996190
  H     18.24651907      7.60972532    -16.51555228
  H     14.82036801      8.94984147    -15.39832512
  O     14.30376518      9.03123657    -16.21762451
  H     15.41005969      5.61581826    -14.62050111
  H     13.70916741      8.26938727    -16.23612575
          69
 Energy    -248.83764067420623     
  O     -1.17760140      4.17425957      3.71857633
  H     -1.93208310      4.32607180      3.13790195
  H      2.28814502      8.39816847      0.72226068
  O     -2.41924232      7.15611354      0.97587253
  H     -0.61338300      4.95526095      3.63046338
  H      0.30018519      3.46208826      0.66593888
  O      3.42519619      5.32193213     -0.22411346
  H     -1.85956037      7.76783253      1.46800031
  H      0.19939335      2.22555788      1.59866844
  O      3.60900397      7.46700795      1.51630123
  H     -1.96918946      7.00778333      0.13180739
  H     -2.38117137      4.00419083     -3.16969080
  O     -0.91408616      6.52718714     -1.25939467
  H      3.74837685      4.42464797     -0.08766018
  H     -1.92511981      3.80986465     -1.70198576
  O      1.92457474      1.95386972     -1.27327458
  H      3.26526141      5.45036085     -1.17173885
  H      1.15168035      8.91157110     -2.83628524
  O      0.75096991      5.17853362      0.56088279
  H      3.67933290      6.74734441      0.87125674
  H      1.30112507      8.39464532     -1.38536668
  O     -0.46341733      8.67089633      2.36579937
  H      3.55800499      7.02979283      2.37253271
  H      3.38027976      3.03738426      2.06438795
  O     -2.50604662      3.02334111     -0.14813434
  H     -0.29845962      7.09634932     -1.73849656
  H      2.23386000      2.86560370      3.09594482
  O      0.58022472      6.25553546      3.10095452
  H     -1.20058353      5.81398037     -1.84451312
  H     -4.64608261      3.68363536     -4.36917838
  O     -3.30173327      4.78351596      1.88372804
  H      1.21232122      2.01974728     -0.62098074
  H     -4.07913908      2.72783853     -3.30584065
  O      1.52368728      8.78030416      0.26520669
  H      1.63553969      2.47058025     -2.03386118
  H      0.34675065      1.41519848      4.05547046
  O      0.04764266      2.52466160      0.69447204
  H      0.20627410      5.67993650     -0.05873383
  H     -0.11252995      2.81796064      3.58672547
  O     -1.66461757      4.19733158     -2.54923266
  H      1.67552367      5.26165892      0.28895927
  H      0.80749059      3.21356248     -4.28520521
  O      1.10630336      8.12318941     -2.30275433
  H     -0.08173126      7.84816239      2.71848889
  H     -0.02998603      3.77195669     -3.11638397
  O      3.05845493      3.33540951      2.92349416
  H     -0.47980279      9.29724194      3.08486717
  H      3.76354909      5.85287251      4.67447314
  O     -3.82813375      3.34925056     -4.00995493
  H     -1.63840262      2.71765456      0.15333936
  H      3.22008995      4.94585741      3.54630168
  O      0.51836749      2.09566650      3.41062306
  H     -2.84025643      3.62512923      0.52915761
  H      4.77798926      2.09591367      0.11121821
  O      0.87567290      3.57073623     -3.40235445
  H      1.46294552      6.18505561      3.48535663
  H      3.29950386      2.32338861     -0.28486240
  O      3.21836580      5.85683927      3.89281576
  H      0.63670070      5.88428954      2.20597266
  H     -4.33360215      0.79336866     -1.62037730
  O      4.00632884      2.61625040      0.31790176
  H     -3.00457089      5.65937637      1.57594636
  H     -3.70526620      2.11990493     -1.16503475
  O     -4.30411955      1.72596449     -1.81964286
  H     -4.19610332      4.89400412      2.19617515
  H      2.01175513      5.05458481     -3.05188506
  O      2.62388590      5.75171429     -2.78658043
  H      0.82120422      8.84342268      0.91987107
  H      2.11259785      6.56811191     -2.71725819
          69
 Energy    -248.83749591906911     
  O      9.83101167     10.03559638    -11.59146359
  H      9.03011381      9.86964741    -11.10223580
  H     10.48540071     12.84992716    -16.51893325
  O     14.67499096     10.35968632    -13.14909055
  H     10.57280628      9.90178243    -10.97326096
  H     14.28797621     13.52949062    -13.39330453
  O     17.40033839     12.99278110    -13.90778596
  H     15.59125999     10.53378911    -12.89964513
  H     14.02971317     14.45663217    -14.60926515
  O     15.87293177      7.34451085    -11.23894485
  H     14.61815414     10.26800429    -14.10903797
  H     18.52509888     11.78856606    -17.07438763
  O     10.98178010     12.02047537    -13.17957661
  H     17.61377268     12.69322662    -14.79965805
  H     17.57484992     10.88960831    -16.24465644
  O     12.67951986     15.11232923    -15.60186856
  H     16.54795048     13.44404028    -13.96447716
  H     14.08357984     12.07761663     -8.56735698
  O     15.09520654     12.60873506    -16.61050931
  H     15.82724302      6.53702269    -10.73301323
  H     14.70106241     11.05316196     -9.54640242
  O     13.45376520     12.51907773    -12.04831077
  H     14.96484579      7.53812908    -11.53290922
  H     17.18569995      8.85561925    -14.93289453
  O     14.29762302     10.04437164    -15.85993420
  H     11.80548420     12.25740461    -12.73068429
  H     16.04085842      9.35686920    -15.85203660
  O     17.70329829      8.19420364    -13.20221961
  H     10.50878044     11.39418051    -12.61674181
  H     15.96497902      9.06585037    -10.19152737
  O     12.02357923      9.63160072    -10.07316390
  H     12.78230253     14.81190566    -16.51293184
  H     16.55379116     10.40745178    -10.63834612
  O     10.83317351     12.23705392    -17.17923298
  H     11.80165643     14.81321764    -15.33354692
  H     11.45484299     10.86402334    -14.58975971
  O     14.70089519     13.90237394    -14.18193756
  H     14.95950370     13.03247415    -15.74899220
  H     11.28687322     10.83850844    -16.11814465
  O     17.77147658     11.81151460    -16.49147019
  H     16.03783996     12.41836726    -16.69360703
  H     13.84892529     13.30908450    -17.66523580
  O     13.93609761     11.63847936     -9.40072285
  H     13.58391512     12.40311810    -11.10034873
  H     13.39534322     14.01795770    -18.96198732
  O     17.00300726      9.31704157    -15.75855068
  H     13.85097415     11.73540066    -12.46244062
  H     11.21595888      8.79497126    -14.27427481
  O     16.02647002      9.99212117     -9.93941303
  H     14.50893703     10.91786047    -16.21795423
  H     10.53009649      8.74561441    -12.89923322
  O     11.59354469     10.30835885    -15.36808316
  H     13.33648000     10.01559192    -15.75283330
  H     17.43522826     11.62590478    -12.80199131
  O     13.09351855     13.73808580    -18.10169761
  H     18.46526648      7.62103985    -13.15035934
  H     17.66964709     10.07140508    -12.66127176
  O     11.09979471      8.24027937    -13.49137333
  H     17.06759701      7.86526683    -12.54765397
  H     10.39872002     13.27462385    -14.28174175
  O     17.27894112     10.84770951    -12.24517604
  H     12.55393436      9.06492024    -10.64944912
  H      9.33616776     14.32574409    -14.67637357
  O     10.16066585     13.93523188    -14.95428593
  H     12.61269207     10.32934991     -9.76384836
  H     12.63893769      8.03403905    -12.57607399
  O     13.44037141      8.18663360    -12.05572427
  H     11.56267494     12.70555118    -17.60301785
  H     13.86345404      8.97487579    -12.43149360
          69
 Energy    -248.83745253360746     
  O     17.70069502     10.77381016    -18.58879501
  H     16.86016695     11.04447838    -18.18153729
  H     17.43843990      5.45349211    -14.92306372
  O     15.93286339      6.07127552    -12.29778381
  H     17.75983135     11.23430691    -19.42203507
  H     17.25791610      6.36921857    -11.21444833
  O     17.47251012     12.47899680    -13.18411582
  H     16.03699347      5.74398303    -13.19925244
  H     17.97282003      6.02372955     -9.88734615
  O     21.53222607      9.19087045    -12.82740856
  H     15.35220717      6.84134608    -12.33808060
  H     21.22762321      8.48430288    -16.07380298
  O     15.88196042      7.06759960    -16.90716647
  H     17.99282692     12.99241017    -13.81763530
  H     20.81722879      9.94389042    -15.84408887
  O     13.57763645     11.26360108    -12.35760699
  H     18.03444054     11.73228677    -12.93171596
  H     18.32948563      7.99018446    -14.83886951
  O     14.75116197      8.65527146    -12.28453297
  H     22.41472674      9.40174234    -12.53535675
  H     17.05639628      8.88536566    -14.87296851
  O     19.08272673     13.44141772    -15.18351423
  H     21.54822406      9.20620379    -13.80157925
  H     14.51442853     11.06379481    -17.59922860
  O     20.13856773      6.70240439    -12.49788287
  H     16.00120757      6.31265004    -16.31896661
  H     15.29126712     11.76076969    -16.47559499
  O     15.25688872      9.00465700    -14.98676219
  H     15.52815484      7.76751466    -16.34199265
  H     17.74467178      9.65825167    -11.35851388
  O     18.98595474      6.25018845    -14.90616449
  H     12.78765092     11.64667405    -11.98639283
  H     17.34264666      8.42470485    -10.53768999
  O     16.52902141      5.10452047    -14.91394346
  H     14.32044037     11.54382081    -11.79080363
  H     16.40223588     12.25909449    -11.64153903
  O     17.97071829      6.64633653    -10.60990098
  H     14.18259523      9.43423767    -12.26727598
  H     16.22944290     11.05331906    -10.69163586
  O     21.43266194      9.26284442    -15.54187512
  H     15.53897326      8.88828009    -11.77060682
  H     19.87860823      9.99745143    -12.52021051
  O     18.01351529      8.89693889    -14.74970251
  H     19.87019639     13.93378037    -15.39990991
  H     18.58578332      9.70436503    -13.31279036
  O     15.33915662     11.50815761    -17.40997725
  H     19.19659861     12.56245146    -15.58017772
  H     16.00623928     12.05069343    -14.19404171
  O     17.04365611      9.30679229    -10.78895637
  H     20.63350959      7.53022740    -12.48690780
  H     14.51891778     11.69365760    -13.96191506
  O     15.81476310     11.87891312    -10.97347383
  H     19.47463626      6.75161879    -11.79921502
  H     20.96496280      6.58256092    -17.77624434
  O     18.93948591     10.20861743    -12.56210066
  H     15.04048967      8.75149335    -14.07887008
  H     19.67588463      7.40481704    -17.53400524
  O     15.19273606     11.78571239    -14.64683336
  H     15.23042999      9.96983858    -15.00171774
  H     18.80709118     10.19256099    -15.74944704
  O     20.48932802      7.07127457    -17.11036057
  H     19.46443932      6.33244941    -14.06596313
  H     18.82105960     10.89485033    -17.12603689
  O     19.25024850     10.88546761    -16.26158854
  H     19.59550532      6.41406241    -15.63571497
  H     18.00619343      8.87902491    -18.40194655
  O     18.18501682      7.95967258    -18.17973401
  H     16.59351360      4.16641732    -15.07612472
  H     17.37016555      7.61088298    -17.78834589
          69
 Energy    -248.83695564227608     
  O     14.60808174      8.68673733    -16.52450316
  H     13.97589486      8.25755566    -15.93558636
  H     15.21718005      3.40256264    -16.89480299
  O     14.38947482      4.94533347    -15.98744181
  H     15.25024005      9.12900158    -15.95724444
  H     20.00672617      4.83571964    -17.02744645
  O     18.41754565      5.98999661    -12.16273018
  H     13.74859828      5.61543603    -15.72099165
  H     19.47938538      4.04566469    -15.81522355
  O     19.44741565      5.20688015    -18.80336148
  H     15.26954693      5.31051805    -15.79080920
  H     17.07901294      7.13536806    -17.94661987
  O     16.90540400      4.47589977    -19.33488050
  H     17.72548737      6.61383060    -12.43093712
  H     18.55091989      6.64047419    -18.04750725
  O     14.41349854      6.15961377     -9.73528666
  H     19.15906988      6.15256058    -12.75814038
  H     16.79508087      6.49168739    -14.62630077
  O     14.63593078      3.98420033    -13.26477543
  H     19.98557035      5.15386934    -19.58840339
  H     17.32130271      6.37489837    -16.09069379
  O     16.41770982      7.56279650    -13.16960880
  H     18.56918332      4.85708256    -19.04169944
  H     11.88828977      7.20594977    -14.87817232
  O     17.85574000      3.30549060    -15.27948428
  H     16.31384236      5.23167767    -19.26047230
  H     13.12867344      6.97777511    -13.98511147
  O     14.14320291      3.38577047    -10.51724145
  H     16.56997629      3.81458346    -18.71039355
  H     16.78741143      1.89350817     -9.38254838
  O     18.88659777      8.74121136    -15.45106488
  H     14.17496729      6.56409769     -8.90562138
  H     15.75660983      2.82175931    -10.07198468
  O     15.91909252      2.87766007    -17.29588590
  H     15.37457917      6.00195634     -9.70490512
  H     21.27113692      6.73820542    -13.98208599
  O     20.13860904      4.70079285    -16.08166513
  H     15.57192724      3.78925853    -13.10885217
  H     20.28649330      5.92579742    -14.84959989
  O     17.96839213      7.25908816    -17.58846804
  H     14.50739068      4.05650647    -14.21598394
  H     17.20405017      3.05636542    -11.69400995
  O     16.88482293      5.89308188    -15.37704854
  H     15.52434699      7.32241025    -12.89452047
  H     17.72922855      4.31060292    -12.44452613
  O     12.83507890      7.08681351    -14.90419909
  H     16.38847891      8.42827311    -13.59684041
  H     17.64553366      5.74399342    -10.44180839
  O     16.70788027      2.67241404     -9.92597695
  H     17.55870148      4.22722297    -15.35417671
  H     17.06543166      4.54752733     -9.66088018
  O     20.34182054      6.60351268    -14.15245119
  H     17.75854192      3.09233872    -14.34328553
  H     15.03322295      7.48374210    -17.79866027
  O     17.29569677      3.45351576    -12.56784452
  H     14.12782114      3.45614269    -11.48074777
  H     14.91575899      5.96285882    -17.74287004
  O     17.05283720      5.51145753     -9.71586601
  H     14.07378234      4.28953236    -10.18540942
  H     13.98720000      6.53352153    -11.48437028
  O     15.29634441      6.67473633    -18.26705753
  H     18.65811279      8.32673990    -16.29640239
  H     14.17355024      5.62479042    -12.72420355
  O     13.93883111      6.52526755    -12.44857438
  H     19.39731431      8.08652148    -14.96173377
  H     17.42765318      9.53123597    -14.99305348
  O     16.54628465      9.85417124    -14.72736102
  H     16.61860272      2.82860085    -16.62968495
  H     16.62561693     10.79489376    -14.59530450
          69
 Energy    -248.83679531077780     
  O     14.57836793      8.70508026    -10.37118283
  H     14.16071858      9.51567423    -10.69043058
  H     14.17144152      6.76146333    -17.17722769
  O     16.48976200      5.21157521    -13.05702843
  H     15.40893089      8.95598802     -9.93844531
  H     17.86486626      7.78627409    -15.48372898
  O     13.66433822     10.94256595    -11.65864888
  H     15.60381843      4.91625766    -12.81085935
  H     18.23453347      6.30845847    -15.57944833
  O     16.17150957     11.79310824    -12.90151730
  H     16.61989012      5.01650331    -13.99337277
  H     15.26630703     11.33634898    -14.52434580
  O     11.06365871      7.15450183    -16.25278730
  H     13.24824825     10.44591593    -12.37686590
  H     15.38880446     10.09217555    -15.42892619
  O     17.49344396      6.33270979     -9.16209004
  H     14.47904422     11.30576415    -12.02509172
  H     15.33665633      8.13226586    -11.95120424
  O     13.01299028      6.62758236    -14.26070176
  H     16.53102816     12.63876326    -12.64235033
  H     16.09318162      7.00149449    -12.73658912
  O     12.83383765      9.40708392    -13.87562309
  H     16.83400458     11.12802554    -12.65481769
  H     14.51599047      6.94622759    -10.00363741
  O     12.92434795     10.25298810    -17.24661699
  H     11.61890434      6.83180339    -15.52967870
  H     15.66000502      5.98958633     -9.63791589
  O     16.87865552      4.87198206    -15.82480531
  H     11.64586079      7.22606341    -17.01918698
  H     19.17745121      6.59998485    -12.04178327
  O     16.15323648      8.49705850    -15.40683479
  H     17.99093585      6.16325283     -9.98181437
  H     18.01653469      5.57524371    -12.08956728
  O     14.66693670      6.36441818    -16.44971544
  H     17.97032008      5.90216536     -8.45741224
  H     13.31431067      4.08151658    -11.97811088
  O     18.61033213      7.17554814    -15.39590660
  H     13.23425925      6.07621865    -13.50195923
  H     14.12393514      5.24095660    -11.35019333
  O     14.83193064     10.86520983    -15.24478022
  H     13.03031449      7.55483803    -13.98226248
  H     17.18955210      9.06512125    -12.35236098
  O     15.86746621      7.94008718    -12.73560077
  H     12.00867745      9.59053233    -14.34269025
  H     18.70305654      9.28243550    -12.49393626
  O     14.75200234      6.00713735     -9.96172335
  H     13.52867068      9.87894793    -14.35614594
  H     19.50631768      7.67869975    -13.98806067
  O     18.72417716      5.92183757    -11.52848378
  H     12.09999898     10.25704180    -16.74381785
  H     20.85121325      8.04780350    -13.32068470
  O     13.84223766      4.84489142    -12.19626989
  H     13.59817750     10.62078343    -16.66034417
  H     17.34889481      8.23196516     -9.30488616
  O     17.89416641      9.71375475    -12.19563463
  H     16.97549502      4.10089504    -16.37782988
  H     17.56406761      9.40948849    -10.28773983
  O     19.91496656      7.97453816    -13.15500251
  H     16.09050877      5.34661657    -16.13983842
  H     13.06389851      8.66058001    -17.94531153
  O     17.13368972      9.16116168     -9.46078245
  H     15.64760710      7.82073434    -15.87452131
  H     12.96097756      7.77259011    -19.20716129
  O     13.06195708      7.73837833    -18.25979100
  H     16.01275520      8.33887521    -14.45922524
  H      9.71475089     10.00826291    -15.51426298
  O     10.63138946      9.76045993    -15.59499956
  H     14.09266003      6.38915160    -15.66844450
  H     10.65240724      8.81747751    -15.83782062
          69
 Energy    -248.83666635938766     
  O     -3.81005755     -1.71677641     -1.84012366
  H     -4.27239822     -1.95777293     -2.63909769
  H     -1.44715035     -3.91212005      2.06955661
  O     -2.24407931     -1.03814985      1.64118669
  H     -4.00235011     -2.41456531     -1.18797520
  H      2.23829411     -0.48978037      2.39541497
  O     -5.73380301     -3.35323492      2.42739278
  H     -2.04463092     -1.96305514      1.45304135
  H      3.75396466     -0.73212522      2.57367420
  O      1.80401593     -2.30170195      5.02494408
  H     -3.20315737     -0.95346966      1.71948260
  H     -3.84473757     -3.25069940      5.10757732
  O     -4.23063141     -3.62693204      0.02385059
  H     -6.55165307     -3.78212792      2.66387845
  H     -3.00487596     -4.10591416      4.15189658
  O      2.13758297     -3.67623572      1.62002615
  H     -5.08982010     -3.57436893      3.12422413
  H     -4.00369686     -0.52856225      5.26950371
  O     -3.30620754     -1.93354988      6.37405565
  H      1.79360805     -3.23871502      4.79438488
  H     -3.21780160      0.43360917      4.37825589
  O     -4.98568311     -0.66293379      2.10689621
  H      2.23215000     -1.85795673      4.28176225
  H     -1.90990135     -1.63414089     -1.83104867
  O     -0.86134166      0.66186735     -0.05824063
  H     -4.83196653     -3.59960093      0.77648303
  H     -0.79744425     -0.71508764     -1.29579243
  O      0.43710930     -3.61121799     -0.65502638
  H     -3.35267717     -3.79423712      0.39652021
  H      0.33310144      0.74606981      2.73000160
  O     -1.37929975      0.60041735      3.64835643
  H      1.61882790     -3.58944600      0.81215084
  H      0.51771438      0.71819833      1.21046729
  O     -1.71029802     -3.72805092      1.15758112
  H      2.42588842     -2.78801849      1.86876383
  H     -3.48727692      3.08921013      3.05415141
  O      2.90319450     -1.15767883      2.63993791
  H     -2.38184706     -1.83118696      6.08787516
  H     -2.70650722      2.84064255      1.75423048
  O     -3.91460926     -3.86317256      4.36533861
  H     -3.29276931     -1.99038637      7.32604147
  H      1.74799081     -4.55225251      3.05101998
  O     -4.11430552      0.15730931      4.59943663
  H     -5.34694810     -1.55338817      2.19827013
  H      1.99470788     -5.74376943      4.01078512
  O     -0.95226997     -1.56141135     -1.73623345
  H     -4.80337795     -0.33433806      2.99954285
  H     -4.31994065     -0.15261382     -0.90230355
  O      1.00301978      0.65466509      2.04341240
  H     -1.42248447      1.43785077     -0.16533644
  H     -4.86388219      0.21790445      0.49567996
  O     -2.62636797      2.84373146      2.71948337
  H     -1.37299393      0.03961560      0.48426364
  H     -0.28562746     -4.46037727      3.92625792
  O      1.49586536     -4.93825309      3.91077894
  H     -0.01171223     -2.85687231     -1.07711036
  H     -1.04455664     -3.15597022      4.27127671
  O     -4.57618663      0.59442660     -0.34763052
  H      0.63126418     -4.23355436     -1.35157904
  H     -0.93269749     -0.76258955      4.78191989
  O     -1.13914945     -4.01688089      3.84146651
  H     -1.64139005     -0.02830607      2.95426554
  H      0.13247014     -1.77378494      5.31038369
  O     -0.81727443     -1.58442540      5.27702632
  H     -1.71017300      1.47054804      3.37838276
  H     -3.06722511      3.32522850     -0.73021567
  O     -2.87943401      2.65953820     -0.07444450
  H     -0.93263630     -3.78949849      0.59029936
  H     -3.53058640      1.94406145     -0.20054872
          69
 Energy    -248.83640938104503     
  O     15.34494867     11.95573002    -15.58342692
  H     16.27130439     11.96501222    -15.31974071
  H     17.22342729      9.30717859    -16.68584483
  O     13.41044147      6.17154964    -14.79732638
  H     15.34239223     11.77747457    -16.53273365
  H     16.53208356      8.71786268    -14.71920382
  O     18.91845847      7.49528566    -12.62258826
  H     13.73328499      6.22086313    -13.88733935
  H     15.26993403      8.53820315    -15.62905828
  O     18.61198274      7.37299608    -17.91894316
  H     14.14408295      5.82851518    -15.32336380
  H     14.06840755     11.28942272    -14.60012880
  O     16.21629402      6.56793758    -18.91261490
  H     18.29440710      6.75331397    -12.65118261
  H     12.67926745     11.48779149    -13.94741099
  O     15.99476969      8.67359696     -9.69685619
  H     19.02104745      7.70004676    -11.68416643
  H     17.97257655      6.15280712     -9.70654605
  O     14.59243087      6.58472882    -12.27056499
  H     18.91601762      7.04577911    -17.05975339
  H     17.40564745      5.20438412    -10.77353370
  O     17.31800658      9.60515786    -13.33212600
  H     18.52777629      8.32906247    -17.81867729
  H     13.28326231      7.80984860    -15.49320832
  O     15.81249534      5.71410753    -16.29101591
  H     16.33617047      6.17984431    -19.77505190
  H     13.25291093      9.36532314    -15.27328230
  O     14.83124431      6.05629545     -9.49553077
  H     17.10057865      6.83384891    -18.59921204
  H     18.88758613      5.61874953    -15.21564686
  O     17.61140671      4.14547980    -15.01121412
  H     15.54934609      9.05168543    -10.46595632
  H     19.37167977      6.88416888    -14.48879794
  O     17.74015242      9.94897516    -17.20092708
  H     15.51783715      7.85801064     -9.49921885
  H     17.22300465      4.86000558    -13.37095915
  O     16.20945330      8.32711725    -15.53994266
  H     14.51535938      6.33190205    -11.34202701
  H     16.21124682      5.78049920    -12.59788241
  O     13.36876105     10.84422492    -14.08847224
  H     14.65091557      7.55084279    -12.28485744
  H     19.12267791      8.43405933     -9.16451504
  O     17.44014101      5.35602141     -9.81758399
  H     17.97792690      8.93480419    -13.10392739
  H     17.71827843      8.30472464     -9.79598418
  O     13.46076120      8.66956178    -15.90653490
  H     17.74588116     10.32695900    -13.80725851
  H     15.35031931     11.78577327    -19.12999845
  O     19.32056226      6.46917235    -15.35640445
  H     16.06011645      6.58531750    -15.94114726
  H     15.10682330     10.40584591    -18.47172056
  O     17.10380434      5.40772376    -12.58612759
  H     15.83005670      5.81715070    -17.25019866
  H     14.26452068      9.88727144    -12.73730216
  O     18.63677652      7.98530473     -9.85129513
  H     14.37836713      5.56035761     -8.81934982
  H     15.75628198      9.51919964    -12.54436888
  O     15.54992698     11.26698247    -18.35607071
  H     15.74580759      5.72209370     -9.52684298
  H     18.94864091     12.18715973    -15.17185359
  O     14.86494924      9.36740513    -12.19178769
  H     16.93734019      4.62218772    -15.52726686
  H     18.17792787     11.03907588    -15.86773621
  O     18.20101784     11.60343343    -15.07529764
  H     17.67171697      3.26562260    -15.37253893
  H     13.98442954      8.70479445    -17.67337881
  O     14.44458128      8.82577193    -18.51649668
  H     17.10184084     10.43651075    -17.73686027
  H     14.99338610      8.04594481    -18.65795450
          69
 Energy    -248.83625891068340     
  O     14.88709064     10.35097393     -9.56045643
  H     15.39063770     11.17073292     -9.47993962
  H     10.47714229      8.84547043    -10.27602204
  O     17.77064740     11.94110814    -13.63932978
  H     15.43835880      9.73440054    -10.06272057
  H     13.12702248      7.06235922    -11.44192471
  O     11.50727948     11.14077077    -14.74232597
  H     17.95619394     11.49917159    -12.79085042
  H     13.89900988      6.21730273    -10.38802504
  O      9.52814624      9.34725355    -13.49223380
  H     18.61059339     12.21851704    -13.99477131
  H     10.68764977      6.84181016     -8.71309520
  O     13.65228506     12.14290739    -13.36892663
  H     12.02489414     10.67520198    -15.40985281
  H     11.80547541      6.95976390     -9.77240348
  O     15.59347418     10.49613900    -14.62729522
  H     10.84773488     10.52460188    -14.40658086
  H     16.49675318     13.11982672    -12.76270050
  O     16.47026424     12.64448103     -9.70437696
  H      8.60889372      9.57981073    -13.59123005
  H     14.97007527     13.19437293    -12.57268361
  O     16.53591926      8.49166519    -10.88424880
  H      9.73248632      9.41618972    -12.54259085
  H     13.76745860     10.87600235    -17.27089133
  O     12.36939944      5.19765675    -13.39323916
  H     12.83102050     11.95133119    -13.84661988
  H     14.36884662     10.37547118    -15.94099110
  O     18.10536123     10.81201736    -11.19931690
  H     14.32181959     11.55669776    -13.74666731
  H     14.84991065      7.08922405     -8.71838667
  O     13.14963162      8.47216609    -12.54536755
  H     16.38791950     10.99074897    -14.38954033
  H     15.79609217      5.86376197     -8.64805943
  O     10.24882709      9.55060158    -10.89175244
  H     15.69262369      9.60405034    -14.26647509
  H     15.19635902      5.07803949    -15.49770113
  O     13.06540999      6.28130415    -10.86877570
  H     16.19041760     13.01652129    -10.56048110
  H     14.29989382      6.33704611    -15.55882072
  O     11.23822020      7.47204922     -9.17248439
  H     16.66655538     13.38163054     -9.13304127
  H     13.47636692      8.38104700    -16.61611827
  O     15.80981269     13.48766186    -12.19366397
  H     16.28418290      7.73680426    -10.33857122
  H     12.52136424      7.45696805    -15.85118388
  O     13.63053767     10.25376721    -16.56011544
  H     16.32081491      8.26360069    -11.79987194
  H     11.46648049      6.65062903    -14.06397343
  O     15.39341597      6.48100198     -9.25286316
  H     13.20540900      5.25958228    -13.87200768
  H     10.57420117      7.96554096    -14.14238816
  O     14.79382504      5.75098813    -14.95524518
  H     12.58387912      5.36441720    -12.46642695
  H     14.08554014      9.10476253     -8.43050528
  O     13.30166454      7.45227185    -16.42637337
  H     17.69771295      9.94810937    -11.05299983
  H     12.86291562      8.15639058     -8.30597189
  O     11.36103240      7.52062701    -14.47865873
  H     17.68145063     11.41824378    -10.57928352
  H     14.74910495      8.19144835    -13.12117549
  O     13.77866974      8.27900371     -8.03021065
  H     12.51762076      8.27069049    -13.24773893
  H     15.53286038      7.16488473    -13.96411756
  O     15.63743884      7.97603146    -13.45325326
  H     12.89587957      9.29483564    -12.11081004
  H     12.98855465     11.40664813    -11.85793989
  O     12.67420069     10.83945791    -11.14090469
  H     11.01436960     10.14401487    -10.90044258
  H     13.40971878     10.72091093    -10.52502208
          69
 Energy    -248.83611473060779     
  O     13.99002126      4.89598846     -9.63924872
  H     13.32447827      4.60379637    -10.27424886
  H     13.81034117      8.48298663    -14.04075801
  O     15.90427696      8.41003851    -16.24807365
  H     14.85406095      4.69541343    -10.01937658
  H     17.08810113      9.49069378    -11.92789191
  O     18.42203044      8.96682971    -13.07171242
  H     15.78054648      8.35799240    -17.19264976
  H     16.05609414     10.44564797    -11.21164600
  O     15.20679303     11.99919151    -11.22894458
  H     15.01746731      8.46306975    -15.85209389
  H     13.58007600      8.17669692    -11.74158102
  O     11.31653638      6.83856129    -14.73467434
  H     18.05653542      8.21154406    -13.55263000
  H     15.02740619      8.65459278    -12.04651478
  O     18.80645809      5.20138697    -12.61434760
  H     18.89200279      8.59144893    -12.31288063
  H     12.29276232      4.16054714    -12.42224565
  O     12.84655843      4.47964269    -14.05783489
  H     15.26781012     12.29796616    -12.14584169
  H     11.47571069      3.32733173    -11.40775033
  O     16.68882630      7.43684436     -9.56557769
  H     14.27604840     11.79431530    -11.07771363
  H     15.59597324      5.29798419    -12.31384386
  O     12.43573219     11.18630198    -11.14989299
  H     11.14059871      6.86006162    -13.77593479
  H     14.79204263      6.51317450    -12.83316458
  O     15.31279906     12.55249372    -14.02434556
  H     10.46649012      6.81360541    -15.16617045
  H     17.66205976     10.21052324    -14.25436258
  O     12.86205216     11.14488375    -13.83736866
  H     19.44117756      4.61507259    -13.01982834
  H     16.68152417      9.94240593    -15.41150711
  O     13.49132899      8.58456096    -14.95263784
  H     18.38705619      5.69539965    -13.33652965
  H     16.95568758      7.23823465    -15.17343430
  O     16.36071467      9.53133521    -11.29456443
  H     12.35192747      5.21453038    -14.43882657
  H     16.54243453      6.31771633    -14.01237676
  O     14.28864401      8.13686617    -12.39488240
  H     13.72272773      4.83015154    -13.83831474
  H     18.57359250      7.45363539    -10.26185355
  O     11.98684207      4.12756172    -11.49876792
  H     15.88404470      7.42514217     -9.03551239
  H     19.25653389      6.64455337    -11.37955403
  O     15.16704598      5.65968294    -13.10001588
  H     16.60158967      8.21578506    -10.13706263
  H     11.31644787      7.36554706    -11.42240486
  O     17.04099388     10.64294536    -14.85467908
  H     12.52413513     11.13959443    -12.11936094
  H     11.21324822      5.86045788    -11.75317673
  O     17.31153767      6.73389191    -14.43249049
  H     11.74693018     11.82176461    -10.97044906
  H     16.65058177      5.81042608    -10.37509094
  O     19.29632809      7.48136664    -10.90004538
  H     15.95651218     11.88805339    -14.32807259
  H     17.39468344      4.84828698    -11.33242124
  O     10.93922786      6.73649421    -12.05117636
  H     15.55230347     13.37523838    -14.44246756
  H     13.86594848      7.21126932     -7.50201613
  O     16.58265763      4.95228430    -10.82340870
  H     12.98326839     10.32805443    -14.33493696
  H     13.96738498      6.42032097     -8.82890967
  O     14.04222080      7.30950428     -8.43435283
  H     13.66118937     11.66861202    -13.98388691
  H     12.40340141      9.44037028    -10.51174618
  O     12.38230535      8.47924821    -10.40928188
  H     12.71879970      8.00982493    -15.02434179
  H     12.92846203      8.22432920     -9.65481030
          69
 Energy    -248.83600276564869     
  O     -2.11303202      9.77241631     -1.27049134
  H     -3.02944663      9.75742416     -1.53594425
  H      1.42156872      8.93901999     -0.35609698
  O     -1.08356108      4.97604860     -0.10485191
  H     -1.97932668      9.00207273     -0.69041924
  H      0.78316102      5.37020006      2.56768461
  O      1.93465254      8.69940026      2.67037099
  H     -1.67319651      4.24904270     -0.28438559
  H      0.30123364      4.85920414      1.18375299
  O      2.17487402      9.79586330     -3.66113214
  H     -0.64407951      5.19937208     -0.94740130
  H      1.93959905     10.43937009     -1.97696980
  O      2.74814993      6.22993161     -1.28466292
  H      1.79325707      8.41096586      1.75364550
  H      2.54382607     10.89990985     -0.59346476
  O      4.43866722      7.61419846      1.64159809
  H      1.25969781      9.37763904      2.82530020
  H      4.04884069      4.11061433      1.24665100
  O     -0.07083401     10.60027181      2.88656469
  H      2.43582151     10.14546673     -4.50828325
  H      2.70194931      4.86647297      1.34622236
  O      5.47218362      9.30881746     -0.23964543
  H      2.90632669      9.23121342     -3.34922197
  H     -1.63207244      7.85008720      1.32815646
  O      0.61582991      6.63792164      3.97941470
  H      2.22164699      6.88058496     -0.79214085
  H     -1.49890944      6.73338070      0.23536957
  O     -0.29431513      8.38347282     -3.11314210
  H      3.15499011      5.66825352     -0.61619716
  H      2.89479482     11.66162795      3.51792890
  O     -1.59527476      8.22569510      3.05648704
  H      4.22465476      6.68863377      1.46498676
  H      3.09430159     10.19316941      3.09768783
  O      1.26077910      8.10583403      0.10904839
  H      3.70918034      7.96015405      2.16498548
  H      1.31306788     13.61670429      4.31385207
  O      1.03683550      4.83376209      1.80754708
  H      0.30800794     11.36178012      3.34196475
  H      1.46815309     13.12165613      2.85478311
  O      1.75481548     10.55889065     -1.03781456
  H     -0.25527432     10.88500145      1.97894548
  H      3.79495223     11.40759451      1.40380205
  O      3.63237413      4.94917860      1.06793922
  H      5.12734254      8.69620936      0.43369126
  H      4.50313062     10.88457866      0.14079070
  O     -1.51651751      7.68750321      0.37971555
  H      6.42324573      9.28660284     -0.16379951
  H      0.82483552     12.87425957      0.73630169
  O      3.54079283     11.04628230      3.14834324
  H      0.92340548      6.50122469      4.87262047
  H      2.37235222     12.90051532      0.75245975
  O      1.39448962     12.83009810      3.78204342
  H      1.16622438      7.34138451      3.59824984
  H     -0.04009517      6.63424851     -2.66674846
  O      3.84416157     11.52281605      0.44227891
  H      0.49021274      8.88778132     -3.35843206
  H      1.12617676      5.77985943     -2.12311692
  O      1.58838273     13.32777173      1.11675567
  H     -0.85354891      8.97145311     -2.59463559
  H     -1.17098504     11.06524987     -0.21972215
  O      0.18307408      5.75425027     -2.32950158
  H     -0.98229537      7.61784818      3.48686522
  H      0.35265897     11.17447792     -0.22885495
  O     -0.43600982     11.46769378      0.25639513
  H     -1.19355473      9.10287415      3.12380139
  H      4.62789458      8.66921859     -1.83059342
  O      4.11422416      8.29465245     -2.55551700
  H      0.30751891      7.95528466      0.13208789
  H      3.71231196      7.48650535     -2.20623522
          69
 Energy    -248.83545647250168     
  O     -0.88100611     -3.82023176     -6.97274903
  H     -0.05782515     -3.32754306     -6.85482375
  H      2.06811752      1.85535778     -4.30223395
  O     -2.70839878      2.51882582     -0.64225684
  H     -1.58580133     -3.20158416     -6.74257215
  H     -3.02192725     -0.72386270     -0.40308348
  O      1.18398150      3.43520682     -3.78848241
  H     -1.78137648      2.76611183     -0.81273245
  H     -2.68924697      0.70996729      0.06764578
  O     -0.92063615      2.60790367     -5.27791672
  H     -3.08305180      3.21375196     -0.10658755
  H      0.29141485     -1.01135096     -5.58104404
  O      1.36282487     -2.39154877     -5.98444361
  H      1.45207472      4.32258158     -4.01442656
  H     -0.44735663     -0.20276684     -4.44115732
  O      0.46609591     -2.73882861     -1.91178181
  H      0.41605297      3.22252690     -4.35016053
  H     -2.91617736     -2.41131342     -2.40658636
  O     -1.75996380     -3.49565000     -3.46417732
  H     -1.70266825      2.56493134     -4.70701201
  H     -2.39662808     -0.97784308     -2.28112692
  O     -0.38194887     -1.68295713      0.61264426
  H     -0.76942225      1.70641263     -5.58222318
  H      2.40621328     -0.16917084     -3.16669351
  O      4.06292691     -2.71161198     -3.64351833
  H      1.48093553     -3.02428775     -5.26193538
  H      3.12199611     -1.46964791     -2.71951582
  O      1.66413422     -4.27333194     -3.92561424
  H      2.22173896     -1.98189487     -6.14079249
  H     -4.18186673     -0.65475588     -3.36002960
  O      0.87497594      0.49732924     -0.64386570
  H      0.14456848     -2.52905672     -1.02685825
  H     -3.91583076     -0.67361634     -4.86083393
  O      2.25057718      0.96526704     -4.62797974
  H      1.09102739     -2.03632530     -2.14092808
  H      4.42116168     -0.60813337     -6.58276651
  O     -2.63973446     -0.21671758      0.32846147
  H     -1.00489174     -3.18918406     -2.94138835
  H      3.38356734     -0.17781131     -5.52206362
  O     -0.19869931     -0.19994924     -5.38121031
  H     -1.48270299     -4.31589145     -3.88734393
  H     -1.56624532      0.89171822     -2.96809144
  O     -3.14113925     -1.55035487     -2.03483073
  H     -1.21707995     -1.18205261      0.57923135
  H     -0.42002980      0.32614579     -2.06300628
  O      2.45702253     -0.81877121     -2.45457918
  H     -0.31548671     -2.04834272      1.49087527
  H     -0.86746524     -6.51226512     -5.19095864
  O     -4.33370567     -0.14762430     -4.16891652
  H      3.41918926     -3.41777135     -3.78541752
  H     -0.72772593     -5.07687824     -5.75554341
  O      3.79192442     -0.94728057     -5.95063220
  H      4.13341461     -2.23450097     -4.47915742
  H      0.33350641      3.22059742     -2.04962502
  O     -1.00751069      0.11959088     -2.79804165
  H      1.29103063     -3.87839295     -3.12457790
  H      0.34769737      2.21491645     -0.88216343
  O     -0.60072940     -5.62649554     -4.96119513
  H      1.00368954     -4.89705561     -4.25292336
  H     -3.06438514      2.29376790     -2.50311316
  O     -0.09690827      3.00882555     -1.21446480
  H      1.58793326      0.09235066     -1.15784248
  H     -3.53094160      1.39078808     -3.70611635
  O     -2.90609755      2.07976623     -3.42987431
  H      0.51840083     -0.19270499     -0.07116995
  H     -2.31581695     -2.40037118     -4.89565005
  O     -2.52404810     -1.85935962     -5.67211089
  H      1.40923904      0.63118560     -4.96974897
  H     -1.83235132     -1.18809243     -5.71668905
          69
 Energy    -248.83532325148326     
  O     -3.78448276      5.36561385      2.41749211
  H     -3.52720993      6.28455966      2.23513575
  H     -0.36738464      7.66629772     -4.79589525
  O      2.07361544      9.89628464      1.37742983
  H     -4.57514160      5.40469925      2.95023801
  H      0.89185450      2.42194458      3.42246159
  O     -0.00602644      8.37734741     -1.62345450
  H      1.54323008     10.34808946      0.70949598
  H     -0.09921034      3.53244086      2.99511757
  O      0.53125843      9.94992737      3.60849838
  H      2.08761834      8.96680997      1.10878527
  H      0.03836833      5.43276448     -3.59580484
  O     -1.55918391     10.48387843      1.71711034
  H      0.07898712      9.29017783     -1.32075301
  H     -0.33096815      3.91335816     -3.44971803
  O      1.53064774      7.26205553      0.55570470
  H     -0.86197653      8.06080928     -1.29498840
  H     -2.29513663      2.81567979     -3.19844213
  O     -2.33279258      7.19837203     -0.75807182
  H      0.93590746     10.38670798      4.35243571
  H     -1.05275367      1.92515207     -2.93009414
  O     -2.74696843      7.85918337      1.83430964
  H      1.17161733      9.98620124      2.87427057
  H      1.34745699      2.21861288     -1.57593178
  O     -0.76643158      4.96115400     -0.58549579
  H     -2.14032052      9.71564210      1.76181190
  H      1.54370296      3.59217301     -2.22586650
  O     -3.03558179      3.68485626      0.24786032
  H     -0.94975143     10.39947236      2.46176686
  H     -0.74224218      5.70299249      3.30012896
  O     -1.21563926      1.56766557      0.77308576
  H      1.08637641      7.47705975     -0.27350603
  H     -2.06068856      4.91020080      3.17447015
  O     -0.58717574      7.12893657     -4.03871421
  H      1.73486811      6.31642160      0.55773715
  H     -4.70017978      3.29202916     -2.52206525
  O      0.50412090      2.84378561      2.66029528
  H     -2.83789838      7.03047189     -1.56581456
  H     -3.63687253      3.62111027     -1.45214846
  O      0.26551247      4.61481242     -3.14134537
  H     -1.78029306      6.41338719     -0.61785849
  H      1.88918917      3.93993165     -0.07428894
  O     -1.44225564      2.54622996     -3.56043464
  H     -1.85984275      7.69337118      2.18772057
  H      1.40529098      3.91249729      1.40967709
  O      1.92715110      2.98999900     -1.57280778
  H     -2.69520567      7.70535021      0.87673467
  H     -3.43266687      5.43891892     -3.04966221
  O     -1.13536412      4.82812107      3.42791980
  H     -0.46936920      4.81829229     -1.49499830
  H     -2.45516533      6.50540633     -3.62210145
  O     -3.81687655      3.63504822     -2.40615202
  H      0.00588991      4.81571038     -0.02655042
  H      0.07072688      8.17506404      3.23148146
  O      1.66804824      4.49748507      0.68928970
  H     -2.19676282      4.09678963     -0.01821092
  H      0.41245904      7.29546031      2.00274826
  O     -3.30109737      6.38701210     -3.17425523
  H     -3.38704455      4.21583149      0.97176411
  H      0.04448573      0.00080507     -1.65875655
  O     -0.16674752      7.35861173      2.77531819
  H     -1.95341247      2.18314330      0.68083782
  H     -0.50799360      1.12542648     -0.75382555
  O     -0.10310666      0.94226011     -1.61965561
  H     -0.62545627      1.94523043      1.43704611
  H     -0.04744520     11.80045335     -0.74931889
  O      0.07521341     10.91370399     -0.42090872
  H     -0.30326760      7.62489121     -3.25303197
  H     -0.56693764     10.79186579      0.30140839
          69
 Energy    -248.83523787323739     
  O     11.91907606     11.73814157     -8.92235225
  H     12.71571259     11.80365903     -8.38176454
  H     12.50355180     11.93618825    -13.84896696
  O     11.67266190      8.31178256    -16.60298135
  H     12.00958813     12.40567978     -9.61619196
  H     17.53608460      9.47769674    -11.73495210
  O     11.04692989      9.37042629     -9.85113343
  H     11.75873769      7.80068823    -17.40303103
  H     16.50449781      8.71965716    -12.59940434
  O     12.97987734      8.48145793    -14.11462690
  H     11.98901723      9.21059263    -16.80365335
  H     14.67035109      7.88334011    -11.58025012
  O     15.46672773     13.99408195     -9.06989173
  H     11.31535858     10.23124157     -9.47953391
  H     14.38569213      7.77419282    -13.08225447
  O     12.48877348     10.91282780    -16.83253581
  H     10.41539823      8.99229344     -9.24550980
  H     13.12807982     14.04600983    -11.30232387
  O     10.92897291      9.65409871    -12.63665024
  H     12.57689037      8.25066201    -14.96010222
  H     12.08611637     13.09304658    -11.96754878
  O     15.73451552      9.66755961     -8.36147800
  H     12.26430850      8.77379848    -13.53075535
  H     12.87075705      8.84654291    -10.02616395
  O     14.37418788     11.25589823    -11.45509512
  H     16.11165593     13.41212563     -9.50031974
  H     14.02278570      9.67889462    -10.62899871
  O     14.36441822     12.06270527     -7.50545604
  H     15.10550242     14.53075853     -9.78205297
  H     16.95971752     10.61528070    -13.80779849
  O     16.49887528     13.68194508    -12.88313677
  H     11.69797269     11.42285130    -16.61255061
  H     17.38573571     11.18095008    -15.18414316
  O     11.65182499     12.25539978    -13.51656534
  H     13.11362020     11.06897122    -16.11519032
  H     17.44177105     11.45334155    -10.31495266
  O     17.19292226      9.40146255    -12.63096896
  H     11.12618346     10.58488072    -12.80713387
  H     16.04307971     11.80232571    -10.86977137
  O     15.08023074      7.64904318    -12.42380473
  H     10.90315236      9.53290103    -11.67953958
  H     14.96531076     11.10574742    -14.50439624
  O     12.49720324     13.33570077    -11.12566426
  H     15.32009640     10.46962384     -8.02284893
  H     13.77539159     10.08874330    -14.28991154
  O     13.81749320      8.83196510    -10.20207025
  H     15.05766377      9.23005813     -8.89648136
  H      9.32625825     12.51365944    -16.20617339
  O     16.74147749     11.28002663    -14.48869684
  H     14.36208508     11.16609365    -12.41340435
  H      9.77252388     11.16197517    -15.59276505
  O     16.88716666     12.19106397    -10.59132443
  H     13.74256886     11.95259411    -11.23190722
  H     17.21440466      9.66531373     -9.28464407
  O     14.01330231     11.02699256    -14.35378161
  H     14.73076012     12.79888251     -8.02621761
  H     18.71631651      9.32110605     -9.41684821
  O     10.07244066     12.05995617    -15.82458055
  H     14.39851398     12.33540467     -6.59161141
  H     14.64497872     16.05975737    -11.85253223
  O     17.99165389      9.74533208     -9.86728482
  H     16.57756969     13.00656288    -13.56425053
  H     15.23477568     14.66022834    -12.13261871
  O     14.57019754     15.14097225    -11.60845221
  H     16.82047721     13.24854438    -12.07804488
  H     10.13055969      8.95474301    -15.62677086
  O      9.53895566      9.50037810    -15.09364089
  H     11.06586848     12.34119217    -14.27854413
  H      9.86306097      9.43567995    -14.18481069
          69
 Energy    -248.83515912626478     
  O     12.09138376      8.43754195    -15.70474626
  H     12.87788844      8.69402798    -16.19954875
  H     18.03432080      7.99800193    -15.20924834
  O     17.46064477      8.11619370    -13.44972321
  H     11.74644607      9.24943036    -15.31388670
  H     17.68977496     12.56870004    -12.13948485
  O     15.13582737     10.44384983    -10.65708458
  H     16.93217047      7.38753620    -13.09497720
  H     18.49421734     12.24623967    -13.41719311
  O     15.56010921     12.52805865    -14.32613252
  H     17.72706142      8.65945469    -12.69687643
  H     16.14115636      9.21670705    -13.99178595
  O     15.74053290      6.80672794    -17.19256689
  H     15.02845865      9.67220757    -10.08144152
  H     15.58994890     10.67415638    -14.24047690
  O     14.69123830      7.99212902     -9.50312549
  H     14.42397467     10.37115685    -11.30921333
  H     12.08408666      6.97549323    -14.77136563
  O     15.80044171      6.18583372    -12.35515506
  H     16.44468529     12.68766121    -14.68330023
  H     11.36205296      5.64925460    -14.43163678
  O     13.21531537      9.94088579    -12.59594765
  H     15.57703171     12.77107916    -13.39226859
  H     19.84088409      7.81451625     -9.70549584
  O     18.16897473     12.57647412    -15.28408169
  H     15.42703868      6.34424590    -16.39454654
  H     18.57694291      8.52299806    -10.22088495
  O     16.79181182      6.02002862     -9.71852006
  H     15.77451374      6.15720920    -17.88990353
  H     13.89606018      5.69844074    -14.75063839
  O     17.36785135     10.56723406    -16.88850904
  H     14.06969459      7.65502601    -10.16164879
  H     15.28518541      5.65576800    -14.09341077
  O     18.14375832      8.03731640    -16.16953369
  H     15.39438967      7.33438318     -9.45307038
  H     15.61185544     12.10771799    -11.13229818
  O     18.48834683     12.13041794    -12.45933383
  H     16.18120263      5.98931232    -11.49077957
  H     15.62765183     13.63867895    -10.93535369
  O     15.36230194      9.73485506    -14.23018144
  H     14.93616095      6.58829982    -12.18550616
  H     16.91180461      9.95578987    -11.04257706
  O     12.13702931      6.16683397    -14.23043588
  H     12.50149210     10.33668885    -13.10718741
  H     18.20297483     10.57284910    -11.65565764
  O     18.88965417      7.74945407     -9.72371567
  H     13.94766244      9.79586006    -13.21830856
  H     13.80259729     11.12270672    -16.54809599
  O     14.83598245      5.60026774    -14.94600244
  H     17.94024911     11.84632298    -15.88808108
  H     14.15365957     12.22200094    -15.51731126
  O     15.87159638     12.94769103    -11.54626190
  H     18.71330051     13.18065026    -15.78173914
  H     13.15932114      8.20057902    -12.08585169
  O     17.83650997      9.77229211    -11.25179344
  H     17.57964802      6.58992889     -9.68628135
  H     12.78340581      6.78926122    -12.57474761
  O     13.44027362     11.88175418    -16.07539326
  H     16.93831997      5.31143783     -9.09736189
  H     10.63077625     11.47863546    -14.59833272
  O     13.25323354      7.26021098    -11.87547079
  H     16.45560415     10.35905576    -17.10222483
  H     12.09433742     11.37188300    -15.09140090
  O     11.42288901     10.95421303    -14.52182500
  H     17.77402351      9.71349205    -16.66937481
  H     14.96541092      8.49820353    -17.11618456
  O     14.60727128      9.34755214    -16.82589989
  H     17.41444020      7.52636231    -16.54063650
  H     14.87320416      9.43996547    -15.89508438
          69
 Energy    -248.83501921272668     
  O     13.80250245      0.96568166     -8.90657546
  H     13.12445996      1.18400094     -9.56647443
  H     11.23448493      3.84232228    -13.90651609
  O     12.00650642      1.72809558    -10.86802323
  H     13.46127204      0.23513079     -8.39636331
  H     12.36278337      5.77376565    -12.99981158
  O     13.54409439      4.76545490    -16.07566551
  H     11.66318024      2.60938424    -10.66194453
  H     13.27041693      4.52402929    -13.19722004
  O     17.23856265      3.46256095     -9.69369202
  H     11.39907361      1.34173608    -11.51129685
  H     14.48313826      4.10804928     -8.43977754
  O     11.15979274      4.34460475    -10.58144549
  H     13.14406932      3.92429616    -16.32734574
  H     14.58486813      2.57716550     -8.25265628
  O     10.34163126      0.95286890    -12.99676135
  H     14.16004972      4.56085832    -15.35954964
  H     13.36122852      0.72984466    -14.02792479
  O     14.25595516      1.54918163    -12.64416635
  H     16.51967134      3.45727594     -9.03494489
  H     11.86737208      0.39172478    -14.12337280
  O     14.91233431      4.01590582    -13.71795124
  H     18.05405075      3.57449644     -9.21279831
  H     13.47129784      6.28267566     -9.35289848
  O     14.87935472      7.82176569    -11.91531043
  H     10.34472886      4.84404027    -10.69856681
  H     12.66138305      5.01067980     -9.72372842
  O      9.53068928      5.90081652    -14.23608096
  H     11.65491545      4.48497120    -11.40781357
  H     16.58776713      1.80146014    -10.41456334
  O     12.48635225      7.57352488    -13.21677467
  H      9.45746891      0.60050738    -13.05821348
  H     15.41058152      0.89808517    -10.00304411
  O     10.59697572      3.30227077    -14.40027818
  H     10.33936462      1.80215307    -13.47157494
  H     12.41654846      1.60991558    -15.92812930
  O     12.39229940      4.81096380    -12.91836329
  H     14.99317852      1.29403533    -12.07021968
  H     12.00924781      1.91376275    -17.38864865
  O     15.05222028      3.40622149     -8.09296739
  H     13.50065221      1.69654610    -12.06168785
  H     16.33193816      4.64291536    -10.84314039
  O     12.67326549      0.45022544    -14.64898129
  H     15.30632115      4.46490825    -12.95657242
  H     14.88965409      5.18000977    -10.72388518
  O     13.53100698      5.32255082     -9.44324338
  H     14.77157827      3.09739442    -13.44552907
  H      8.13148950      6.16050073    -11.39235323
  O     16.08491108      1.02257844    -10.68281830
  H     15.32389412      6.97530903    -11.77784843
  H      9.21921240      6.04004005    -12.47849427
  O     12.15484357      2.32169153    -16.53934036
  H     14.46620865      8.03627782    -11.06937446
  H     12.43304290      8.13883608     -9.94896257
  O     15.66406045      5.16455875    -11.30430787
  H      9.68404096      4.95893819    -14.39003078
  H     13.29878819      8.81671751     -8.85916283
  O      9.07011461      6.04469718    -11.51699098
  H     10.20721133      6.34883883    -14.75622898
  H     11.82256354      7.34072655    -16.65804830
  O     13.29439024      8.10562248     -9.49383091
  H     12.41476542      7.52985824    -14.17687173
  H     12.44958660      6.12708193    -15.93758072
  O     11.83527377      6.87450846    -15.82638674
  H     13.40685136      7.71995946    -12.95000695
  H     10.28380201      7.45799056    -11.00917783
  O     11.01953882      8.07575741    -10.95020280
  H     11.03434267      3.03275884    -15.21803165
  H     11.47221832      8.01184305    -11.80582846
          69
 Energy    -248.83499560918253     
  O     12.10476304     10.67037661    -15.17243987
  H     12.76641834     11.36845858    -15.21665477
  H     15.78864328      5.83580128    -14.86489632
  O     15.93949117      6.70767001    -13.26080792
  H     12.39612477      9.98019103    -15.78641214
  H     20.60630880      6.32361897    -13.24499155
  O     17.56443493     10.64902938    -12.16463780
  H     15.20216146      6.72760269    -12.63578473
  H     19.66296104      7.34921752    -13.90210312
  O     18.74026202     10.91430724    -14.63486428
  H     16.70502499      7.04651394    -12.78029161
  H     15.99555286     10.19433461    -15.67024587
  O     12.76969391      5.93087731    -15.89475864
  H     16.64407291     10.81988230    -12.41021914
  H     17.23803515     11.09781678    -15.74225722
  O     15.24771895      9.75457469     -9.07264277
  H     17.66018815     10.95976082    -11.25189902
  H     15.46130726      8.13970273    -14.26508076
  O     13.99646957      7.00855033    -11.28645349
  H     18.38773114     10.83900077    -13.73183157
  H     14.43578243      8.74942490    -15.27962922
  O     14.92440189     11.02234444    -12.93004524
  H     19.56890442     11.38208171    -14.56601900
  H     10.20653560      9.66642210    -12.88498457
  O     17.27607486      7.05513792    -17.33349786
  H     12.13147228      5.27446609    -16.16088081
  H     11.46535128      9.92917775    -13.74353325
  O     16.21921203      7.09895059     -9.54468771
  H     12.52755015      6.20686009    -14.99187527
  H     11.73021304      7.67949139    -13.30316462
  O     19.00581556      8.12572450    -15.32362683
  H     15.55084245      8.83913749     -9.11348721
  H     12.71443220      6.69856521    -12.64377238
  O     15.60267430      5.60455521    -15.78600954
  H     14.47328462      9.80364614     -9.64635586
  H     17.78864042      8.84019764    -11.78581755
  O     19.96118920      6.99562207    -13.04536120
  H     13.74364604      7.94220302    -11.22945814
  H     18.66821771      7.56468699    -12.00094150
  O     16.36310514     10.96879316    -16.12725700
  H     14.65968254      6.87354462    -10.59857982
  H     17.61935221     11.88511745     -8.77601186
  O     15.15638242      8.95883459    -14.67203021
  H     14.67515324     11.74890551    -13.51098600
  H     16.64282333     10.82561902     -9.31565122
  O     11.13316374      9.45429150    -12.96045071
  H     14.94069807     10.23310963    -13.49777434
  H     15.84309704      9.88758298    -17.67343783
  O     12.14492956      6.81519322    -13.41418801
  H     17.69860241      6.47105318    -17.95856334
  H     16.11724970      8.39908747    -17.92730351
  O     17.85517393      7.89670217    -11.59127630
  H     16.67560065      6.50363208    -16.80025889
  H     13.87125607     10.24965258    -11.69503858
  O     17.43767160     11.34099497     -9.53677515
  H     16.67709366      6.51372850     -8.94717476
  H     12.44996674      9.66233848    -11.63479847
  O     15.48744818      9.10782936    -18.11659464
  H     16.86138449      7.36288683    -10.22668767
  H     14.29363885     13.44868225    -15.59174130
  O     13.28259227      9.70801529    -11.14853270
  H     18.40368238      7.83529371    -16.01823572
  H     15.03865666     12.09545421    -15.63126678
  O     14.29930309     12.57167812    -15.21720401
  H     18.87729641      9.07325378    -15.20445202
  H     13.92494813      8.72032084    -17.29977476
  O     13.21227324      8.60192164    -16.65320001
  H     14.64281387      5.62745001    -15.87606034
  H     13.02019464      7.66064073    -16.56619681
          69
 Energy    -248.83484108994332     
  O     18.66079271      9.62031926    -15.75907997
  H     17.98815799      9.02527839    -16.10784740
  H     15.25207286      8.81991649    -14.16608007
  O     20.17728116      8.05576633    -14.07866346
  H     19.29857268      9.05543174    -15.29581878
  H     18.57374730      7.44335544    -13.41878320
  O     15.79908531      9.14422837    -10.33895417
  H     20.34562571      8.55683753    -13.26614284
  H     17.22030400      8.01233545    -12.93977024
  O     12.24112004      9.19080774    -13.65298159
  H     20.63248502      7.20744396    -14.05957704
  H     14.54172410      6.70285010    -13.83143312
  O     16.70197676      7.67601987    -16.56473587
  H     15.54013367      8.21021721    -10.35753250
  H     15.17250257      5.33448566    -13.45737838
  O     11.75271139      6.52498500    -12.69167367
  H     16.68925139      9.19151591     -9.96940282
  H     18.75475954      8.19446308     -9.78824637
  O     18.95794875      6.62358051    -10.51264993
  H     11.61856053      9.87392895    -13.88784407
  H     18.94178915      9.29399507     -8.71648531
  O     14.81243528      6.53872285    -10.56822631
  H     12.55446798      9.39748361    -12.75403507
  H     19.97861893      5.35210093    -14.95599124
  O     16.90736718      4.84477335     -9.76635788
  H     15.94890751      7.86139544    -15.98165641
  H     21.46696300      4.93581922    -14.96845483
  O     17.86029869      3.04675583    -11.55084519
  H     16.34724268      7.62548277    -17.45021561
  H     12.65197239      8.81300553    -10.59978899
  O     20.31069640      4.56483417    -11.70086162
  H     11.74968885      7.39215689    -13.11557834
  H     13.95439661      9.61457409    -10.75093801
  O     14.67634368      8.30739436    -14.75713818
  H     12.59834430      6.12457311    -12.93972982
  H     19.50488873     10.44732193    -12.48141022
  O     17.76694123      7.21799229    -12.93551857
  H     18.48138837      6.85877020    -11.32346074
  H     19.56198414      9.67054758    -11.15147710
  O     14.42421224      5.91938440    -13.27786942
  H     19.59242783      5.94418127    -10.78142164
  H     18.39704981     12.25773178    -13.97844561
  O     18.53470545      9.11576022     -9.56093934
  H     14.72750359      6.32738832    -11.50883432
  H     18.44502149     10.80467406    -14.51464668
  O     20.79279689      5.33175163    -14.42199924
  H     13.91319413      6.63938694    -10.23201713
  H     17.19171394      5.55697124    -13.32445654
  O     13.04358334      9.56456582    -11.06367416
  H     16.11150682      5.35750586     -9.95760952
  H     17.18438772      4.04259709    -12.95154738
  O     20.04202952      9.82723761    -11.97152591
  H     17.64083019      5.46936409     -9.84766184
  H     17.82465858      5.00309481    -15.13414055
  O     18.31600441     11.34596285    -13.71326144
  H     17.73249739      2.14400105    -11.27308783
  H     17.92046264      6.20060553    -16.08792091
  O     16.85838097      4.68480606    -13.59354730
  H     17.47509402      3.61261146    -10.85676419
  H     11.39145752      6.73626125     -9.49100723
  O     18.41158326      5.43457855    -15.77174989
  H     20.50421664      4.76408644    -12.62532707
  H     11.86635526      6.80475722    -10.96427579
  O     12.09000991      7.06207567    -10.05123161
  H     19.57771090      3.93658994    -11.70463599
  H     16.93067336     10.28276650    -13.17176410
  O     16.28581493      9.58683043    -12.99522555
  H     13.77994798      8.60994130    -14.56713557
  H     16.09764777      9.56512779    -12.04685953
          69
 Energy    -248.83472553061057     
  O     12.87478278     12.66134902    -10.36617094
  H     12.41162159     11.82329695    -10.25458034
  H     12.76432419     11.01959401    -15.09378958
  O     14.41408614     13.16549581    -17.55017616
  H     13.65123310     12.64340034     -9.78254367
  H     12.88257911     15.81677436    -16.67563725
  O     15.40062254      8.97213779    -11.88781948
  H     14.19527843     12.27271029    -17.24865587
  H     13.50266212     14.39916025    -16.71455678
  O     15.38948051     15.27974333    -11.69100689
  H     15.34324097     13.29079827    -17.32317679
  H     11.85097225     14.24818500    -13.29499742
  O     14.08617366     10.68246893    -16.29856542
  H     15.74656382      8.20320244    -12.35752694
  H     11.99543193     14.28981009    -14.83026100
  O     16.16953050      6.80178050    -13.47869828
  H     15.98594115      9.71866108    -12.07168251
  H     16.56653554     14.12907682    -10.99776748
  O     16.66154483      8.11817776    -15.79517940
  H     15.47269527     15.17254544    -12.64815507
  H     17.91768126     13.93131912    -10.27853138
  O     14.23529823     12.28066276    -12.79098553
  H     14.43848321     15.30331926    -11.53585461
  H     11.06991348      9.61776891     -9.77109069
  O     12.67618233      9.06512403    -12.53470068
  H     13.98007509      9.76769126    -16.59003596
  H     12.05269750      9.63141772    -10.96332136
  O     16.69798083     10.87994671    -15.25257012
  H     14.95552364     10.73950600    -15.87761034
  H     13.71129175      7.58850996    -15.97377621
  O     16.96381498     13.49769407    -16.23500907
  H     16.75394992      6.05801020    -13.36162124
  H     13.59315889      7.39246301    -17.50501454
  O     12.22359139     11.13873597    -14.30005428
  H     16.43193234      7.24232820    -14.30700310
  H     13.67627292      9.70540519     -9.37110401
  O     13.11951256     15.07454716    -16.12638597
  H     16.80119236      9.06621658    -15.66663546
  H     14.97085729      9.31450198    -10.09459330
  O     11.57786155     13.80533456    -14.10708142
  H     15.84305214      8.03259779    -16.29921956
  H     15.12034679     11.40346463     -8.97481010
  O     17.19676944     13.45673759    -10.68503305
  H     13.83769133     12.42480401    -11.92322641
  H     15.93005018     12.64660939     -9.45059022
  O     11.85766981     10.04034920    -10.10332658
  H     13.55844390     11.86505954    -13.33942946
  H     17.12239420     11.96369375    -11.88739862
  O     13.98217999      7.95007216    -16.83704790
  H     12.45044873      9.75977827    -13.17135945
  H     15.82280823     11.63519114    -12.62849238
  O     14.63250337      9.65994621     -9.25796783
  H     13.62754135      9.11151171    -12.35295994
  H     12.51360809     14.21446802    -11.08599646
  O     15.15405432     12.37243899     -8.95095622
  H     16.82729996     11.00128615    -14.30163728
  H     11.88522373     15.62436833    -11.11823349
  O     16.74098424     11.33541629    -12.51026514
  H     16.92898729     11.71852608    -15.67086216
  H     14.30441205      6.79229609    -13.98455541
  O     12.46772233     15.04073043    -11.59889785
  H     17.69804873     14.09381548    -16.35703403
  H     13.02506900      7.61197837    -13.72011700
  O     13.43825241      7.00949070    -14.35137858
  H     16.41744464     13.86423867    -15.51772608
  H     14.47619275     14.75510952    -14.88219391
  O     15.19892921     14.40927323    -14.34281690
  H     11.85563175     12.03564524    -14.29910756
  H     14.83297808     13.68969314    -13.80644631
          69
 Energy    -248.83459138444857     
  O     13.53062082     12.04685054     -8.55961242
  H     14.31110689     12.48612895     -8.94442285
  H     12.54010203     13.68087956    -11.45803797
  O     11.20773821     11.21402740    -15.36472247
  H     13.60418796     12.13068573     -7.61290356
  H     12.27310351     14.22550290    -15.71981770
  O     13.89501881      9.57338580     -9.98130462
  H     11.23907541     12.09690014    -14.96988655
  H     12.79418532     13.46286406    -16.95106786
  O     11.60094110     12.40145419    -10.54973524
  H     11.59749510     11.29725316    -16.24438430
  H     15.30161522     12.00802962    -12.58652278
  O     11.71406844      9.88283250    -11.72059964
  H     13.08649813      9.52704874    -10.50876062
  H     14.00047271     12.86334824    -12.74059384
  O     13.27605711      9.92072881    -14.00446788
  H     13.79870809     10.34965240     -9.41817637
  H     17.11996323     12.78488062    -14.74675109
  O     15.19676469     15.65616130    -11.16007160
  H     11.65696647     11.53562961    -10.98326730
  H     17.74414340     11.38993778    -14.78161222
  O      9.46324504     10.43834540    -13.22341973
  H     12.14835686     12.33908108     -9.75687993
  H     13.59455209     11.47982348    -17.51579390
  O     15.41269497     13.66077575    -15.28428251
  H     10.83253595      9.91139377    -12.11787541
  H     12.54455184     11.50386604    -18.65055023
  O     15.27852118     11.39853616    -17.03674215
  H     12.32365766      9.80767247    -12.46887570
  H     15.40894979      9.17850502    -10.71958911
  O     11.19099482     13.79263077    -14.18558066
  H     12.55327487     10.23328507    -14.56285286
  H     16.71441129      8.35586949    -10.62097271
  O     12.98904484     14.21330883    -12.13061930
  H     13.76594848     10.71458022    -13.73628941
  H     15.91491218      8.65681378    -12.97971200
  O     12.97086442     14.22599663    -16.38700207
  H     15.31426130     16.56524360    -10.89714998
  H     14.80500055      8.92451464    -14.01992725
  O     14.53933968     12.17704314    -13.15448494
  H     15.78726200     15.50574246    -11.91917342
  H     17.85310727      9.19739293    -16.14751952
  O     17.76471486     12.22705640    -14.29680074
  H      9.92916581     10.58394297    -14.05799054
  H     16.73836021      9.35174548    -15.08446303
  O     12.66413009     11.68092976    -17.72133105
  H      9.24270096     11.31679979    -12.89217597
  H     17.31604163     11.81354066    -12.56154134
  O     16.26717060      9.01153848    -11.14968095
  H     15.09527460     13.08753383    -14.56718181
  H     16.79406594     10.74294258    -11.53712326
  O     15.71637761      8.61328634    -13.92206547
  H     14.62138238     14.01353500    -15.71824103
  H     10.07292772     12.91368994    -11.45411681
  O     17.28817036      9.83869026    -15.72527292
  H     15.93068853     10.78226121    -16.68505275
  H      8.65758929     13.51311710    -11.59254760
  O     16.87379431     11.69085347    -11.70950879
  H     15.41030354     12.21989019    -16.54766707
  H     17.54129706     14.51182410    -13.27154823
  O      9.36337487     13.10488330    -12.08845555
  H     10.40387430     13.66708652    -13.64299445
  H     16.26630781     14.79934304    -14.06643519
  O     16.78342665     15.09770287    -13.30435055
  H     11.88304898     14.03782270    -13.55374186
  H     15.55073123     14.10893218    -10.12768057
  O     15.64288168     13.23426093     -9.73309026
  H     13.64528256     14.77925242    -11.70773668
  H     16.17184643     12.71146673    -10.35126233
          69
 Energy    -248.83455979306609     
  O     14.38889745     12.28164123    -14.88124693
  H     15.21966428     12.26669152    -14.39089110
  H     18.73024029      5.62731398    -11.24701963
  O     14.61611583      6.22610992    -13.90450119
  H     14.45989963     11.62589064    -15.58447913
  H     17.96335800     10.14558816    -15.53627641
  O     16.23136281      8.02078122    -10.05090868
  H     15.05163351      5.87672458    -13.11153462
  H     17.94636207     11.19407666    -14.40545691
  O     18.80370005      8.49277684    -13.18606977
  H     15.18469894      6.06053245    -14.66655882
  H     16.22513442      8.87186440    -14.46136114
  O     14.14601916     10.16971950    -16.84982326
  H     16.02382820      8.86993183    -10.46134117
  H     15.50469693      7.80280828    -13.60598248
  O     12.02615174      8.59840192     -9.47127917
  H     15.59343379      7.88897139     -9.33773454
  H     12.85321982     12.13672993    -14.08445033
  O     12.39003509      7.69020872    -13.17995800
  H     18.98163552      9.25249404    -13.75580828
  H     11.46423608     12.72858505    -13.73869638
  O     15.50365821     10.30901300    -11.54737105
  H     17.83754000      8.43455103    -13.16296341
  H     13.78255433      5.94382056     -9.21307674
  O     16.50508291      6.12435692    -16.02664911
  H     13.38879453      9.87036757    -16.31554193
  H     14.32523725      5.25444789    -10.47689901
  O     11.27379297      6.29070068    -11.01229811
  H     13.79776458     10.41308134    -17.70401620
  H     11.85814073     10.34344981    -14.76299564
  O     18.54281182      5.92296283    -14.27481834
  H     11.60865364      7.85876921     -9.92965363
  H     12.07271627      8.82414598    -14.61649440
  O     18.49966066      4.77101764    -11.65355650
  H     12.22913116      9.24781493    -10.15843969
  H     18.06358469      7.58206079    -10.30227832
  O     18.53302592     10.63049652    -14.92440875
  H     11.91167976      7.18461727    -12.51103496
  H     19.03639284      7.78183249    -11.48321737
  O     16.02901424      8.60948049    -13.55215817
  H     13.12101853      7.13327281    -13.48305337
  H     15.97536955      6.48834551    -11.06445009
  O     11.98981376     11.93583077    -13.67932435
  H     15.69760063      9.70568257    -12.28628050
  H     16.69689070      5.20505383    -11.55335265
  O     13.54885419      5.31236740     -9.90484118
  H     14.53908731     10.34433593    -11.49329546
  H     14.09975533      7.65020854     -7.25974799
  O     12.04266089      9.54007974    -15.26481059
  H     17.26904719      6.01560812    -15.42993051
  H     13.40023696      7.98303493     -8.60030575
  O     18.89459778      7.26349186    -10.67804142
  H     16.61450812      5.49036447    -16.73044943
  H     12.68516502      9.25350363    -12.24704286
  O     15.83660804      5.63983744    -11.51048763
  H     12.06546421      5.86080595    -10.64096398
  H     12.41523811     10.77910487    -12.30041745
  O     14.17279738      7.54081132     -8.20389716
  H     10.55434706      5.67238333    -10.91845169
  H     17.09832221     12.89469368    -12.77892032
  O     12.74518085     10.07213523    -11.73233657
  H     18.56060502      5.38985533    -13.47197669
  H     16.32945022     11.57703142    -12.54680671
  O     16.70823286     12.15061435    -13.23264112
  H     18.79881660      6.81328981    -13.99655076
  H     15.73944579      9.34791088    -16.54603325
  O     16.58330579      8.98944698    -16.23661077
  H     19.04286596      4.11037123    -11.23335171
  H     16.55100914      8.02848594    -16.32529954
          69
 Energy    -248.83443033685825     
  O     16.28818458     10.73522078    -14.10532942
  H     16.94718622     10.23115889    -14.60331094
  H     13.62679048      9.36417675     -9.42845859
  O     15.96050019      5.42687433    -10.31680445
  H     16.14216433     10.24922241    -13.27846724
  H     18.63552719      4.23583744    -16.35790919
  O     13.29051241      6.42310598    -10.33945343
  H     16.06984485      5.80448280    -11.20694346
  H     17.51679745      5.27833509    -16.18365471
  O     14.26009971      9.36220249    -15.43252079
  H     16.39066395      4.57591212    -10.32375312
  H     15.99476022      7.61211514    -12.38722613
  O     18.23199354      9.23689708    -15.48135473
  H     13.36539824      7.17428402     -9.73845112
  H     15.43534701      6.57906317    -13.40256358
  O     20.08872341     10.87892681    -14.13655903
  H     14.13765977      5.96421606    -10.28820185
  H     18.01227299     12.83282889     -9.57199578
  O     18.56006219      6.95720111    -13.94660497
  H     14.74118852      9.16710673    -16.24581892
  H     17.76081169     11.42465445    -10.16011310
  O     12.04393890      6.69916130    -12.72892272
  H     14.85381769      9.94454130    -14.93689302
  H     17.01937871      8.92188840    -16.78107189
  O     14.94210484     12.71101410    -11.22394169
  H     18.33345083      8.40795540    -14.98926792
  H     16.50345211      9.08003248    -18.22795418
  O     12.41540617      9.49808056    -13.18765214
  H     18.94862531      9.81365469    -15.18864866
  H     15.04024870      9.60559515    -11.46808072
  O     13.51341364     10.38757359    -10.84362978
  H     20.90633599     11.33053626    -14.32734940
  H     16.57543877      9.42793081    -11.21238504
  O     13.77115820      8.71257330     -8.72049734
  H     19.48432928     11.53897420    -13.75328292
  H     17.44391944     12.02438322    -13.44820752
  O     18.39634345      5.01417974    -15.86319975
  H     17.71659152      6.81352538    -13.49462507
  H     18.05826654     12.53687857    -12.12496351
  O     16.10068819      6.70514649    -12.71432257
  H     18.65422641      6.23616766    -14.58536908
  H     17.61271873      9.00439673     -9.55618207
  O     17.58757612     12.37354557    -10.29185841
  H     12.47902922      6.58449911    -11.86529952
  H     18.63010834      9.33263419    -10.73282882
  O     16.27240573      8.72781217    -17.37179423
  H     11.20586311      6.24746302    -12.67592484
  H     13.34191430      6.56175920    -14.04855419
  O     15.86306122      9.27258070    -11.84619935
  H     15.05055727     13.13457141    -12.07400795
  H     14.12681262      7.60009004    -14.89147563
  O     18.19268380     12.51502001    -13.07972059
  H     15.83320756     12.63454552    -10.85366169
  H     19.36011648      8.08722075    -12.68498087
  O     17.98918040      9.70627405    -10.10762604
  H     12.88660425      9.54025894    -14.02719349
  H     19.88182930      9.52964091    -12.73595570
  O     14.10418599      6.66766239    -14.63155715
  H     12.19926266      8.56683045    -13.04933820
  H     16.41261499      6.94772338     -9.23417640
  O     19.61575112      8.83274422    -12.12566244
  H     13.90324112     11.26746389    -10.94723632
  H     15.61464489      8.14271279     -8.69008198
  O     16.51209823      7.80717072     -8.80732003
  H     13.03625542     10.15960766    -11.65629895
  H     15.24620740      6.03280954    -15.99770454
  O     15.94709593      5.96304719    -16.65850918
  H     13.28737606      9.02311163     -7.95933446
  H     16.04970648      6.85161989    -17.01992394
          69
 Energy    -248.83439683996184     
  O      1.74660968     -1.72594365      5.26818894
  H      1.88092649     -0.79402107      5.04831555
  H     -0.40614486      1.23635851      1.24153794
  O      2.50852583      2.02179782      7.21088704
  H      1.31337311     -2.14850181      4.51223403
  H     -0.46959040      2.13209694      3.37192276
  O     -4.10293508     -2.80704757      6.35252164
  H      2.45151208      1.25156832      7.80499856
  H     -1.35332527      1.39979270      4.42343323
  O     -0.13379676     -0.71103319     10.17082952
  H      3.15363036      2.61333996      7.58875398
  H     -0.08586276     -0.86403484      0.59438261
  O      0.36695118     -2.76155210      3.13304244
  H     -3.34040446     -3.19069325      6.81183162
  H     -1.48633757     -0.88793142      1.22945024
  O     -1.03078064     -4.72409561      4.72023469
  H     -4.17771621     -1.89625809      6.65439755
  H     -0.47095657      2.60437668      6.10850382
  O      2.72740484     -2.69363532      7.62218350
  H     -0.43455879     -0.51530661     11.05476824
  H      0.63883886      2.55392901      7.17333220
  O      2.29501243     -0.14689076      8.79517869
  H     -0.72409341     -0.23688559      9.56226135
  H      3.51122087      1.35514911      1.93670359
  O      0.33234074     -3.35009137      9.06685375
  H      0.87770644     -2.48723887      2.36184749
  H      2.51957414      0.88400499      3.02251305
  O     -2.21544563     -1.77217054      2.71946798
  H     -0.52247216     -2.39737483      3.01235295
  H      0.10937466     -1.44222242      6.04390851
  O      1.73076029     -1.55298721      0.98307316
  H     -0.43710217     -4.20733394      4.16312986
  H     -1.11966343     -2.18868564      6.64354238
  O      0.04782804      1.97900825      1.66834209
  H     -1.91728293     -4.56512613      4.37048681
  H     -3.88785986     -3.46693480      4.74815165
  O     -0.61107221      2.01023374      4.32285253
  H      3.46680974     -3.28074459      7.48715660
  H     -4.39499893     -4.42102130      3.64176092
  O     -0.92986121     -0.39928832      0.60823383
  H      2.42531563     -2.41427714      6.74105371
  H     -1.21286726      1.36304740      7.89289946
  O     -0.31289707      2.65981955      7.06104745
  H      1.51384448     -0.29337713      9.34210053
  H     -1.26040826     -0.15197431      7.57899044
  O      2.73867946      0.81316595      2.07810058
  H      2.54794441     -1.01359332      8.45438540
  H     -4.82716211      0.51212223      7.53131698
  O     -0.79460080     -1.32517675      6.35368662
  H      0.14504571     -2.51795877      9.51758357
  H     -3.30975747      0.23989885      7.60922670
  O     -3.66109033     -3.86463487      3.88821113
  H      1.17401201     -3.21885071      8.61351811
  H     -0.98387298     -3.79822082      7.92214309
  O     -1.59300805      0.52333517      8.19244639
  H     -2.77267724     -2.51517934      2.98342100
  H     -1.34180705     -4.26168394      6.45286090
  O     -4.12252783      0.00868875      7.13097479
  H     -2.40856837     -1.05801634      3.34314496
  H      2.23971124      1.37043593      5.52250159
  O     -1.66578862     -3.79034626      7.23558104
  H      2.29327352     -1.84271907      0.26861390
  H      1.01799790      1.30436519      4.56601772
  O      1.92389361      0.98373251      4.69580148
  H      2.12468524     -0.74046332      1.33817573
  H     -1.89098110     -0.48078812      5.25049372
  O     -2.53922803      0.05598768      4.76462836
  H      0.98117454      1.74894976      1.64623856
  H     -3.27202464      0.17309036      5.37776880
          69
 Energy    -248.83403680261927     
  O     16.89382082     11.08907826    -14.51355011
  H     16.61934470     10.85849064    -13.60947113
  H     15.55567929      4.44853056    -15.20584152
  O     15.03874905      5.00343646    -16.79972297
  H     17.49505248     11.82616720    -14.43682771
  H     13.42850473      9.04987718    -10.20883666
  O     12.36930609      7.32979791    -12.60631667
  H     15.34314963      5.85368990    -17.13956268
  H     12.86850926      7.80095722    -10.91606321
  O     14.83516892      6.03910934     -9.32326140
  H     14.08609189      5.07583043    -16.66296057
  H     15.02801452      9.03163613    -13.12121906
  O     12.28562280      4.91524467    -15.90227121
  H     11.63934365      7.83240138    -12.98658708
  H     15.46160585      7.66932836    -13.69080807
  O     14.10730920     11.40129631    -15.26157205
  H     13.18679836      7.69055554    -12.98633441
  H     17.52197846      7.91766416    -14.94545610
  O     16.01696661      7.55053929    -17.65734227
  H     14.29021909      6.80490950     -9.57954174
  H     17.36534058      9.41393005    -15.31781902
  O     17.13405237      6.02744869    -10.89835710
  H     14.79424746      5.98161145     -8.37229688
  H     10.77056889      8.49885927    -14.77865210
  O     13.91190188      8.79487602    -16.27470711
  H     12.49926274      4.78878263    -14.96316930
  H      9.57693884      9.07744711    -13.98216522
  O     14.20592058      3.76961495    -10.95284085
  H     11.77503641      4.15303218    -16.16686709
  H     12.96184987     11.18905489    -13.86523697
  O     16.89237642      3.41448087    -11.98664624
  H     15.05406899     11.41263104    -15.08219263
  H     11.73552799     10.34347505    -13.42622848
  O     15.64303433      4.32695716    -14.24855785
  H     13.96253908     10.60210752    -15.78644748
  H     12.75051310      5.63326174    -12.99845421
  O     13.31151878      8.09894125    -10.10900910
  H     16.63626969      7.90381436    -16.99314619
  H     13.31762167      4.30409890    -12.43151211
  O     14.71696918      8.28264495    -13.64426218
  H     16.40413428      7.71929940    -18.51212209
  H     12.24934790      8.08608819    -16.29704563
  O     17.57197398      8.54396671    -15.68018710
  H     16.33966946      6.06664786    -10.34565057
  H     11.62330488      6.69500207    -16.08770867
  O     10.52052840      8.94730236    -13.95014255
  H     17.20834641      5.11079929    -11.19149037
  H     13.34193071     11.61127897    -10.20113122
  O     12.40551661     10.95725437    -13.10718344
  H     14.58262930      8.41333175    -16.85293967
  H     13.13612024     10.92306703    -11.57267774
  O     13.05115590      4.74743003    -13.24956795
  H     14.19779309      8.62256472    -15.36460878
  H     17.10726235      6.57592992    -12.70023684
  O     11.40935602      7.63401562    -16.12784823
  H     15.09951372      3.49363888    -11.18756669
  H     16.57819009      5.85584286    -13.95941996
  O     13.62636093     10.87116972    -10.72974789
  H     14.31681369      4.51202760    -10.34522751
  H     16.59573637      9.74279701    -11.52379699
  O     16.97399758      6.68248543    -13.64963711
  H     17.42324636      2.63303627    -12.11723288
  H     15.24735597     10.54335928    -11.52483906
  O     15.98669253     10.25511364    -12.07475260
  H     16.51593091      3.64390738    -12.85408071
  H     18.65481913      8.85048101    -10.29517620
  O     17.76261556      8.72443095    -10.61009060
  H     14.76498589      4.48801332    -13.87532241
  H     17.62917607      7.76559020    -10.64838905
          69
 Energy    -248.83383993672669     
  O     17.09622838     10.19166486    -10.54831869
  H     17.44195617     10.85498178     -9.93841038
  H     14.08944140     10.74771317     -4.19249577
  O     14.37133556      6.13340080     -5.93965708
  H     17.79147303      9.55813851    -10.77085271
  H     16.97085087      5.30865023    -11.54841976
  O     17.78989215     11.95565827     -8.41986214
  H     14.23267229      5.22619206     -5.67942551
  H     17.10753839      5.89290076    -12.96801860
  O     12.89669641      8.54897959     -6.13464377
  H     14.62451580      6.11917623     -6.87757986
  H     14.40749961      6.56865877     -9.29586506
  O     14.53091480      9.75135828    -11.45670138
  H     18.47377053     11.35001562     -8.07972133
  H     15.42685296      7.30145699     -8.41296978
  O     18.70683233      8.02126453    -11.18645569
  H     18.18433201     12.82311609     -8.45637585
  H     18.09995321      7.62498865    -14.65079517
  O     20.85960552      8.41058761     -9.50794551
  H     13.28902382      7.67303742     -6.02892398
  H     16.83794943      7.87035524    -13.79101409
  O     17.50221038      5.87567136     -9.86807700
  H     12.47581948      8.55624828     -7.00240276
  H     14.86677378      8.88089076    -13.05467818
  O     11.76232973      8.56189721     -8.73607487
  H     13.98261875     10.29547697    -10.87262990
  H     14.64069205      7.44305716    -13.56391234
  O     15.13112847     11.35631835     -7.48161712
  H     15.44835471      9.95204509    -11.22461187
  H     15.61434653      9.63079993     -7.92005442
  O     13.13242925     11.01286864     -9.46137120
  H     18.26537048      7.30092813    -10.71162427
  H     16.46051888      9.20767338     -9.12746231
  O     14.52035476     10.34753796     -4.94355472
  H     18.48858931      7.91139777    -12.12102165
  H     20.13830481      9.63752601     -8.23843495
  O     16.62766731      5.23628397    -12.44979033
  H     20.16919986      8.29199956    -10.18124076
  H     19.16920787      9.49594340     -7.04891482
  O     15.04711133      6.42354155     -8.58781853
  H     21.69751988      8.34667646     -9.95947277
  H     15.54455741      7.29696954     -4.90636627
  O     17.75822916      7.55119660    -13.76393132
  H     18.20183699      5.87702897     -9.19696725
  H     15.64598044      8.79609796     -4.56489988
  O     15.13943021      8.25032578    -13.73573715
  H     16.66019192      5.95847169     -9.40402461
  H     13.82167326      8.17122379    -10.89582388
  O     16.09846334      8.88418755     -8.29351330
  H     10.83982419      8.46317330     -8.96113673
  H     13.46212869      6.73911915    -11.36974161
  O     19.61127577     10.14732988     -7.61216500
  H     12.26426575      8.07187660     -9.40727638
  H     19.01265235      6.86574228     -7.34933933
  O     16.12118189      7.95861581     -4.50480337
  H     16.03153744     11.65724950     -7.65812018
  H     20.10141187      6.92566264     -8.43082658
  O     13.38063228      7.35049042    -10.62739261
  H     15.03370203     11.17427695     -6.53728817
  H     17.41555641      8.40690852     -7.12301007
  O     19.46234440      6.33251279     -8.02095513
  H     13.76198479     11.23454181     -8.76183944
  H     17.54329427      8.05737055     -5.63259261
  O     18.05924585      8.16369923     -6.44230947
  H     12.58583045     10.29789950     -9.11630121
  H     13.59244457      5.05476424    -13.33990234
  O     13.99423619      5.75301033    -12.83042917
  H     13.86931706      9.74771812     -5.35398122
  H     14.91973218      5.49055676    -12.67457806
          69
 Energy    -248.83375103623820     
  O      4.03590338      1.37301678      0.55740003
  H      4.09788536      2.10974803     -0.06292192
  H     -1.23401279      4.33208459      0.38936264
  O     -0.48805798      2.59431299     -2.20571018
  H      3.60726789      0.65694013      0.06329206
  H      0.51588583     -0.94906183     -3.09951765
  O      0.28776244      0.78616349     -0.23125281
  H     -1.36230684      2.23293746     -2.38898985
  H      1.67565443     -1.42226102     -4.00171323
  O     -1.21717560     -1.03593476     -2.76522999
  H     -0.59136855      3.36147039     -1.61941257
  H      1.88424276     -1.63785341      2.25514647
  O     -3.39326502      1.42570413      0.27267845
  H      1.16828855      0.44145426     -0.42477628
  H      1.64371173     -2.88977485      1.39579513
  O     -2.93650429      1.22506990     -2.40793863
  H      0.04540121      1.41197549     -0.92559791
  H     -1.40674198      2.87514862      2.10858961
  O     -0.11496687      1.57869381      2.30894682
  H     -1.81631730     -0.27960209     -2.78410322
  H     -2.44296828      3.88169534      2.65459877
  O      4.56257041     -0.63150012      2.48391976
  H     -1.33136379     -1.41756699     -1.88502657
  H      3.00042074      2.05931593      1.90535196
  O      3.41309203      0.58749691      4.61587036
  H     -3.27073753      0.71574837      0.91415125
  H      2.82521896      1.99935450      3.43515885
  O      1.09483716     -0.65834654      3.61119210
  H     -3.09662340      2.22510838      0.72445054
  H     -0.27137348     -4.57500021      0.65305278
  O      3.69280787      3.36991402     -1.36481213
  H     -3.13099744      1.26984086     -1.45491943
  H     -0.40987361     -3.03430039      0.61438370
  O     -0.65734676      4.55300846     -0.34904118
  H     -3.74573825      1.44606024     -2.86163075
  H     -1.72605331      0.32178824      2.40539268
  O      1.48237473     -0.92831580     -3.20899161
  H      0.73252702      1.99729701      2.52037099
  H     -2.08715036     -1.13303371      2.76567871
  O      2.27804130     -2.18052498      1.55676125
  H     -0.03859656      1.30566724      1.37870780
  H      1.97312878      1.00083856     -3.16739320
  O     -2.14176201      3.45514450      1.85548511
  H      4.58626386      0.06060014      1.80853123
  H      1.15828292      2.26691731     -2.85653589
  O      2.48710193      2.42799115      2.64078374
  H      3.98560541     -1.32265984      2.13795049
  H     -0.30071067     -1.93647870      3.70327251
  O      0.01680618     -3.77340673      1.08184049
  H      3.94807468      0.57944986      5.40446989
  H     -0.75053898     -3.08248226      2.78799098
  O     -2.37529522     -0.37074136      2.23988747
  H      3.92193639      0.12889171      3.92209473
  H      2.32571139     -0.90948692     -1.54952132
  O      2.06017170      1.94556709     -3.00824502
  H      1.83408409     -0.28756967      4.10933621
  H      2.49437316     -1.28973991     -0.01867089
  O     -1.06954148     -2.47151663      3.46170874
  H      0.64526592      0.08777471      3.19541801
  H      2.53137607      4.14555254     -0.04943961
  O      2.64449729     -0.60872787     -0.68975852
  H      4.24333125      3.93584803     -1.89951736
  H      2.14448179      3.92330270      1.42536971
  O      1.92567410      4.43994395      0.64232291
  H      3.13613627      2.86010338     -1.98007381
  H     -0.61854231     -0.77257848     -0.18048849
  O     -1.16974421     -1.55136943     -0.00924345
  H      0.24027528      4.60490987      0.01448118
  H     -1.74749770     -1.27938155      0.71445213
          69
 Energy    -248.83340058731108     
  O     16.84887185     13.81313882    -17.41873878
  H     16.80393939     14.60601978    -17.94514408
  H     18.89962925      9.53695364    -18.45441422
  O     17.03384353      6.37552819    -10.50132956
  H     17.78959209     13.55922928    -17.36445591
  H     16.93777151     10.51808270    -16.11721060
  O     19.37122120     12.87153677    -17.22809192
  H     17.16658062      7.32081687    -10.67540300
  H     16.83812090      9.81631958    -14.71595803
  O     16.06213284      6.83469507    -17.44804686
  H     16.94777173      6.29313209     -9.55493322
  H     17.17512154     10.82632373    -18.27136861
  O     17.51222915      8.99041063    -11.28028935
  H     19.85923434     12.79590036    -16.39979686
  H     16.33732612     12.01453798    -17.74850295
  O     16.12351182      8.53622314    -13.63078719
  H     19.37613375     12.00233083    -17.64805967
  H     20.40206834     10.82956537    -14.77251754
  O     18.66687111     13.07811266    -12.93201551
  H     15.57556755      6.25839347    -18.03139240
  H     19.02303181     10.16517215    -14.95314236
  O     20.76912381      6.11159700    -13.12015423
  H     15.49716823      7.61067572    -17.28448160
  H     18.18770872      6.73872812    -15.14991893
  O     14.84734290     11.95782855    -12.83804388
  H     18.43852202      8.91583920    -11.56297562
  H     16.81584572      6.43150926    -15.80328709
  O     18.30150973      5.13380336    -12.65396731
  H     17.32990540      9.92203145    -11.11100727
  H     20.35834949      7.86263174    -12.44713862
  O     14.59313896      9.06158131    -16.98269839
  H     16.49005737      7.74242912    -14.04299112
  H     20.06818965      9.24017599    -13.07581570
  O     18.93508344     10.46636354    -18.74350974
  H     16.57343054      8.67095982    -12.78620070
  H     20.01222764     12.82587836    -14.01291429
  O     17.30129929     10.49529473    -15.22389561
  H     18.25806452     12.57667322    -12.21902322
  H     21.47115969     13.14462017    -14.41658050
  O     16.34199863     11.05320120    -17.83614318
  H     17.93900439     13.29181868    -13.53334055
  H     16.68017621     12.20533265    -10.27058023
  O     19.95994751      9.97371556    -14.79339169
  H     21.45008245      5.50968957    -12.83427670
  H     16.12744281     11.78208641    -11.64893312
  O     17.28893201      6.43157049    -14.96203724
  H     19.91470998      5.69550475    -12.90175746
  H     20.00121256      8.25440624    -15.30826699
  O     20.03655740      8.74906818    -12.24450324
  H     15.28828641     12.49735101    -13.51013081
  H     20.32832959      6.83019809    -14.79327806
  O     20.69480542     12.66316888    -14.68911271
  H     14.38501998     11.26264775    -13.31860190
  H     13.00624887      9.23416599    -13.92805718
  O     16.89794496     11.71174021    -11.05760554
  H     17.80624901      5.42338593    -13.43048334
  H     14.55111764      9.20104032    -13.98729530
  O     19.90060608      7.31196957    -15.51202632
  H     17.83431993      5.48295375    -11.88182382
  H     16.83905750     12.19761061    -14.83765512
  O     13.76413030      9.69229349    -14.28463472
  H     15.06310352      9.81397481    -17.36848834
  H     16.53838218     13.51301612    -15.59263875
  O     16.53640131     13.11262308    -14.71675153
  H     14.23136382      9.35686503    -16.13979980
  H     19.19471626      7.60806316    -17.19898828
  O     18.67684905      7.90931897    -17.95740549
  H     19.30132313     10.45986726    -19.62431223
  H     17.79883001      7.52244976    -17.86145369
          69
 Energy    -248.83333539667217     
  O     15.37525294     12.02280792    -12.23288199
  H     16.14199806     11.56504117    -11.86827765
  H     11.61863693     11.23739599    -11.30293321
  O     17.45171658      9.18652140     -7.35523582
  H     14.88111046     12.35192143    -11.47163444
  H     15.62909258      8.64840031    -14.28347123
  O     16.23661202      6.11405124    -11.10276177
  H     16.76071293      9.77894253     -7.67838677
  H     14.69104825      9.65292094    -14.97044087
  O     12.51878303      5.13305152    -10.27928245
  H     18.15618619      9.22338494     -8.01230874
  H     19.15764383      8.01870788     -9.72887116
  O     18.71353692      6.26437892     -9.95810639
  H     15.69467362      6.24708113    -10.31284911
  H     20.27293632      9.06391478     -9.50612108
  O     16.97425687      6.45579838     -7.57634187
  H     15.70097224      5.56946567    -11.69750717
  H     15.35561548      6.23846240     -8.27508470
  O     17.24759583     10.41402539    -10.80724888
  H     12.16513731      4.37557298     -9.81759800
  H     14.17790838      7.14435120     -8.74911302
  O     13.96553144     12.77472891     -9.86848874
  H     13.23645668      5.48110469     -9.72307688
  H     11.40638804      9.69907193    -13.29143292
  O     10.63565434      7.24922805    -10.84718449
  H     19.22567964      5.48540292    -10.16119403
  H     12.52070521     10.76732006    -13.59249054
  O     15.42919113     10.66208623     -8.70684747
  H     17.86690662      6.16685734    -10.42697563
  H     13.80679806      7.55266622    -14.42820375
  O     13.72389007      8.71644794    -11.62102257
  H     17.09098442      7.39409477     -7.36141057
  H     13.35146434      7.45605049    -12.96197105
  O     11.62209073     11.53697090    -10.38303686
  H     17.66159041      6.25517377     -8.21849972
  H     11.53271765      7.55934721    -13.85526321
  O     15.01312003      8.74541745    -15.02464426
  H     18.05319285     10.02333785    -10.44859754
  H     10.06109700      7.66942407    -14.32317343
  O     19.32655650      8.96186377     -9.57501193
  H     16.62208574     10.47460879    -10.06955563
  H     10.60814477      8.51833659     -9.65707558
  O     14.57014607      6.26393350     -8.84133540
  H     13.10159594     12.34929799    -10.01682830
  H      9.93434117      9.12544954     -8.40314123
  O     11.90888119     10.43521115    -12.92168700
  H     13.78704637     13.66392619     -9.57442284
  H     13.63703119      4.79086195    -11.81570685
  O     13.21761262      7.06075008    -13.83629635
  H     11.27204940      6.53272855    -10.73155526
  H     13.93739224      5.44796107    -13.16719457
  O     10.67508600      7.97702003    -13.66151643
  H     10.59361720      7.44596716    -11.78940843
  H     14.54199521     11.63734102    -13.70588524
  O     10.67996355      9.22379353     -8.98870177
  H     14.98254612     11.47198710     -8.98222001
  H     14.09980437     12.11295937    -15.10935877
  O     14.28933677      4.81518165    -12.52731799
  H     14.74545404      9.97678387     -8.68977376
  H     13.53328201      8.72700763     -9.89398235
  O     14.01697586     11.39257626    -14.48999991
  H     14.61996329      8.79543983    -11.97484374
  H     12.51288890      8.93007447     -8.74804951
  O     13.44317635      8.75338565     -8.92591680
  H     13.17236055      9.39930962    -12.02424981
  H     16.74398016      9.16384588    -11.99971816
  O     16.33817019      8.49582042    -12.56865372
  H     11.23888436     10.81820939     -9.86729184
  H     16.37982971      7.65106780    -12.10026255
          69
 Energy    -248.83333211438185     
  O     10.94751789     10.25251426    -14.73040640
  H     10.80768252      9.54389230    -14.09055433
  H     16.00875317      6.95245931    -16.27836656
  O     16.10992236      6.89183938    -14.48290304
  H     11.32518277     11.00002884    -14.25167274
  H     18.33589085      9.08410035    -13.24911071
  O     16.44415382     10.83935943    -11.09500599
  H     16.87661452      7.26344630    -14.02675240
  H     18.82501276      7.98780914    -14.22766521
  O     16.61971090     11.06109263    -15.33002882
  H     15.50929821      6.51664687    -13.82421274
  H     14.99149893     12.06529093    -15.75907983
  O     13.14005576      7.03350547    -17.28673111
  H     15.52759329     10.81331977    -11.40076185
  H     13.67666941     11.46377281    -16.29731758
  O     14.46471345      7.23263572     -9.25528111
  H     16.52020463     10.18243889    -10.39232321
  H     14.06802718      9.36484942    -15.17800184
  O     14.18946802      6.06141180    -12.70294799
  H     15.94188083     10.44479589    -15.00899045
  H     15.14204797      8.42552410    -14.51716611
  O     13.89845873     10.55876858    -12.20335823
  H     17.24443938     11.16495445    -14.60179503
  H      9.78004152      7.53895169    -12.95647476
  O     17.53615302      9.50480884    -17.39283712
  H     14.11304938      7.05186007    -17.32133369
  H     11.12523943      7.35820167    -13.70022987
  O     15.74018944      5.04369818    -10.62756331
  H     12.84731248      6.53885500    -18.04768224
  H     18.03906197      7.26192227    -11.76900862
  O     19.32273788      7.82948184    -15.96817298
  H     13.79791570      7.54651752     -9.88160444
  H     17.49188053      7.57417780    -10.35430294
  O     15.84233148      7.17643111    -17.20690465
  H     14.79444330      6.39710934     -9.60788144
  H     12.51671118      6.54053734    -15.54250164
  O     18.36590807      8.12944728    -13.38705509
  H     13.76921617      6.80980316    -12.25549908
  H     12.90036068      6.09383302    -14.10227687
  O     14.05355368     12.25265017    -15.88153144
  H     14.66074254      5.56505924    -12.02182513
  H     19.00521675     11.46657126    -12.76925050
  O     14.71730887      9.28965609    -14.46553405
  H     13.37490497     11.29531345    -12.53987495
  H     17.60948948     10.96119758    -12.32497660
  O     10.63661639      7.93752898    -13.08667700
  H     14.21275815     10.07786264    -12.98680029
  H     16.93249749      8.93594554     -8.24144187
  O     17.72215384      6.85335871    -10.95378417
  H     17.66720729     10.03421884    -18.17563734
  H     15.84481675      8.29254183     -9.13103943
  O     12.16139975      6.35928483    -14.66516664
  H     17.22199258     10.10890467    -16.69938295
  H     13.19686903      9.02650596    -11.55426724
  O     18.25595668     10.95154454    -13.05553260
  H     16.50298376      5.63476718    -10.76880346
  H     12.00675324      8.07706111    -11.82835744
  O     16.66988609      8.80949865     -9.14948839
  H     16.08809780      4.21074889    -10.32253412
  H     13.03560256     12.47567087    -14.44880438
  O     12.84923142      8.14388397    -11.36217980
  H     18.76626598      8.41586183    -16.50107441
  H     12.13690794     13.36444334    -13.55922416
  O     12.45862095     12.47311492    -13.66434997
  H     19.34100760      6.99710767    -16.43737164
  H     12.12799247      9.87133441    -15.99296356
  O     12.92299809      9.74300134    -16.53648553
  H     16.35975782      7.97000325    -17.38090313
  H     12.88411496      8.85865687    -16.91756708
          69
 Energy    -248.83326481267920     
  O     10.70306041      9.44622420    -15.17159468
  H     10.45513092     10.35275847    -14.95454782
  H     16.31724317      9.26712167    -11.34328394
  O     15.39028841      7.74844111    -11.98820296
  H     11.19365492      9.47438468    -16.00186094
  H     17.10370463     10.43173808    -16.87151603
  O     16.40490977     11.60093702    -14.28307730
  H     16.14089029      7.25795804    -12.34235584
  H     15.65362361      9.89926088    -16.86754491
  O     12.19196984      9.50919256    -17.64535401
  H     14.85414821      7.95755612    -12.76834971
  H     10.38816920     12.39564797    -13.60417674
  O     13.75636993     10.98284179    -13.88259715
  H     16.99062974     10.91518598    -13.94033499
  H      9.15797984     12.47288620    -14.53955428
  O     13.20797635     14.71724331    -13.30611227
  H     16.30791483     11.42841097    -15.22988455
  H     15.15993635     12.31759226     -9.27813769
  O     12.76548582      8.28901423    -10.90756651
  H     12.67469803     10.35347385    -17.70499804
  H     14.39490328     11.72028047    -10.48278702
  O     12.54175536     13.00465748    -15.42474678
  H     11.74571394      9.39174291    -18.48031993
  H     10.67803709      6.84369057    -13.39869695
  O     17.16582824      7.20160745    -16.21028385
  H     13.29205358     11.61270465    -14.44531497
  H     10.99042831      8.25805506    -13.94055252
  O     12.96983662     11.00616727    -11.23352716
  H     14.69818117     11.19910811    -13.93254336
  H     14.58217980     11.60859660    -17.49691755
  O     17.56368486      6.74613649    -13.55825575
  H     14.07336155     14.36732076    -13.02742539
  H     13.32138741     12.33304458    -16.94858169
  O     16.92510508     10.00611173    -11.20048159
  H     13.26688283     15.66711863    -13.24996889
  H     17.92125784      9.79149783    -12.63031022
  O     16.18089519     10.71160712    -16.90620779
  H     13.65438489      7.96765859    -11.10621211
  H     18.04244267      8.56688444    -13.54396998
  O     10.04734652     12.13431591    -14.47900225
  H     12.20007511      7.99544850    -11.63283313
  H     15.99294058     13.05492030    -13.17010959
  O     15.24608409     12.09883013    -10.20243688
  H     12.79057938     13.68976686    -14.78984619
  H     15.55085675     13.20438084    -11.69785033
  O     11.27595444      7.57991984    -13.30105815
  H     11.62054473     12.77505718    -15.24359012
  H     13.83386995      8.60824506    -17.21583358
  O     13.65131709     11.78811032    -17.67678355
  H     17.75343655      7.94751262    -16.38114854
  H     14.40948250      8.23985047    -15.84128528
  O     18.20664167      9.51857978    -13.51744360
  H     16.29345790      7.47144942    -16.52622757
  H     11.86315937     13.63587992    -12.45227021
  O     15.57353245     13.66271333    -12.54737070
  H     12.82488865     10.07918380    -10.99697929
  H     11.71220063     12.29543604    -11.70180255
  O     14.65250511      8.35737601    -16.77353697
  H     13.23309725     11.01456172    -12.16646539
  H     19.62958235      9.84467224    -16.44194326
  O     11.21658645     12.97075766    -12.18452389
  H     17.36133926      6.79911524    -14.50899511
  H     18.63926348      9.67348552    -15.26922653
  O     18.72191837      9.63456673    -16.23707612
  H     18.15418703      6.00554927    -13.44616701
  H     12.96536026      7.89816041    -13.93966160
  O     13.81727759      8.27746018    -14.18890250
  H     16.40997480     10.71982074    -10.81045165
  H     13.72720606      9.24091491    -14.11405169
          69
 Energy    -248.83302955553273     
  O     17.70403853     10.56817683    -15.13824726
  H     16.86984565     10.94172641    -15.44610847
  H     12.02823021      9.22400786     -9.39322503
  O     15.12038441      7.11794908    -10.93155825
  H     17.73859058     10.74319667    -14.18839325
  H     13.72119266     12.13182741    -12.87665605
  O     13.08238401     10.90101759    -11.58465156
  H     15.57800819      6.52071407    -11.53971107
  H     15.00827933     12.95561995    -12.75604868
  O     18.93625851      8.99530438    -10.77227662
  H     14.17157380      6.96668887    -11.04125298
  H     14.40589285      9.87740063    -12.28594892
  O     13.80106939      4.90259203    -15.27649406
  H     13.67083979     11.11108661    -10.84274652
  H     15.18555779      8.55719044    -12.02895921
  O     16.33668462      5.57026461    -12.87060806
  H     12.38763019     10.33415002    -11.23259265
  H     19.22043910      7.97502657    -16.08987253
  O     14.38935793      8.96499566    -15.17443915
  H     19.81218205      8.92307972    -10.40367662
  H     18.23046829      8.93000936    -15.38304192
  O     14.96034519     11.32996915     -9.57738886
  H     18.85746456      8.29433360    -11.44572031
  H     12.37795599      5.02614476    -11.44610882
  O     14.63621934      3.34548324    -12.96817916
  H     14.06382546      4.28243201    -14.58690533
  H     11.51660608      3.76767303    -11.61742833
  O     13.29796233      9.56023320     -8.20491404
  H     14.59742302      5.40429471    -15.49622449
  H     18.68913476      7.44780809    -13.63705990
  O     16.42851951      9.01533571     -9.38136853
  H     16.17076829      5.97430745    -13.73532185
  H     17.94047510      6.50101368    -12.67852940
  O     11.41346156      9.10120960    -10.13763061
  H     15.85646097      4.73332971    -12.86104531
  H     12.39710266      6.96461394    -12.42920543
  O     14.34642761     12.65887655    -13.39132852
  H     14.52983712      9.82608546    -15.58111694
  H     11.97827299      7.55540480    -11.03600655
  O     15.15962733      9.34856761    -12.58134030
  H     14.70131175      9.06322346    -14.26026336
  H     12.97026548      7.82836911    -14.57797494
  O     18.51669274      8.00129678    -15.44707894
  H     15.44846638     12.02691981    -10.02907388
  H     12.81486648      6.29689654    -14.56549338
  O     12.42126882      4.06032998    -11.53448000
  H     15.54061999     10.55081889     -9.53373873
  H     16.97525280     13.78434658    -11.25874027
  O     18.64577501      7.15988076    -12.71705839
  H     13.85575951      3.55922474    -12.42850465
  H     16.84900401     12.31088659    -11.71774775
  O     12.41723977      6.81525083    -11.46782443
  H     14.76964157      2.40388280    -12.89857008
  H     15.41056106      7.48533165    -15.41961907
  O     12.49106791      7.10937575    -14.15031895
  H     13.81483838     10.30973676     -8.53726596
  H     16.89082363      7.06462607    -15.53303373
  O     16.35414015     13.06720029    -11.35563207
  H     13.95212922      8.92315710     -7.91852166
  H     14.83262872     12.02669388    -14.95879971
  O     16.00074477      6.71770427    -15.39935712
  H     15.96831217      8.28642160     -9.82236052
  H     14.87352337     12.24228935    -16.48765047
  O     15.12324076     11.63125864    -15.79951792
  H     17.32696115      9.00236543     -9.73144045
  H     18.08480131     10.26813888    -11.80300811
  O     17.48709278     10.79894107    -12.34340309
  H     10.53765359      9.27971788     -9.80417090
  H     16.67212801     10.28099423    -12.44658447
          69
 Energy    -248.83296772287474     
  O     11.61330308     10.92956733    -15.22548073
  H     12.04783758     11.72638962    -14.90148634
  H     15.97328044      6.49603759    -15.27012455
  O     15.64549810      6.99973515    -13.58778316
  H     12.22005705     10.53505948    -15.86767826
  H     18.82599294      8.35763950    -14.39546528
  O     16.41302865     10.85552800    -11.43669554
  H     16.26382796      7.33195289    -12.92332648
  H     18.48451799      8.46894273    -12.88057726
  O     17.32605750     11.05145820    -14.18329287
  H     14.83257623      6.78113939    -13.11341811
  H     16.23223427     12.40667513    -15.05000323
  O     13.38723299      6.93623500    -16.99410903
  H     16.90569646     11.11698183    -12.22109116
  H     15.50291619     12.36299586    -16.40872147
  O     13.78963616      8.65874479     -9.06247599
  H     15.47904208     10.95948029    -11.67876526
  H     15.19475140      8.63344627    -14.23657085
  O     13.42190799      6.58668538    -12.00280106
  H     16.51164779     10.53578601    -14.30913143
  H     14.50310721      9.58737379    -15.27026602
  O     13.87251405     11.03229228    -12.46648256
  H     18.01532945     10.40494900    -13.96018637
  H     10.88113026      9.72515527    -14.22509737
  O     17.85583731     10.24880755    -16.90438259
  H     12.91480289      6.35084980    -17.58044327
  H      9.57057755      9.04266865    -13.76658291
  O     15.33063544      6.61407098     -9.87273721
  H     12.95445872      6.86496159    -16.12360489
  H     12.55031965      6.54997087    -13.72610424
  O     18.54849058      7.60928398    -16.16364005
  H     13.13006989      8.87540194     -9.73210275
  H     11.55761771      7.55462997    -14.32814977
  O     16.11542271      6.44223525    -16.22797999
  H     14.31397339      9.45657628     -8.90289915
  H     16.87224547      9.00990512    -11.40282965
  O     18.91638412      8.92040014    -13.61590800
  H     13.00253331      7.43400498    -11.79063885
  H     16.62318616      7.57183724    -10.87388871
  O     15.50962495     12.80431648    -15.55117531
  H     14.01117263      6.39412162    -11.26322936
  H     15.96650193     10.91786631     -9.65496299
  O     15.01004719      9.55645497    -14.45019173
  H     14.20548984     10.46180782    -13.17928660
  H     15.93886592     11.46103637     -8.21865053
  O     10.51946549      9.00068930    -13.68307737
  H     13.56056525     11.83713313    -12.89565694
  H     15.76692482     11.60659098    -18.84490602
  O     12.17517126      6.85024152    -14.56208460
  H     17.83671673     10.64603027    -16.02599102
  H     16.43154802     10.82337454    -17.68713406
  O     17.12753064      8.08480931    -11.51877788
  H     18.12992488      9.33393406    -16.76329141
  H     12.80012326      9.80518807    -11.71646806
  O     15.52386552     10.82671022     -8.79785138
  H     15.49276280      5.99870865     -9.16298236
  H     11.52234511      9.03217250    -12.08316187
  O     15.59413474     11.21809227    -17.99154652
  H     14.78813050      7.33557773     -9.50255536
  H     13.99754853     13.05391109    -14.70394394
  O     12.23843505      9.06696381    -11.43713873
  H     17.68362441      7.17010979    -16.24774431
  H     12.95337697     14.04465662    -14.13836144
  O     13.16519710     13.11738918    -14.20252894
  H     19.19235124      7.02074603    -16.54916673
  H     14.21968739     10.16635346    -17.35886936
  O     13.55295595      9.72050599    -16.82021580
  H     15.24622549      6.57283064    -16.62015519
  H     13.52582662      8.78308191    -17.05214843
          69
 Energy    -248.83281273584788     
  O      1.13380706      1.05908271      5.00480446
  H      1.74822226      1.19311845      5.72218754
  H     -5.53424350     -0.69053433      3.49321582
  O      1.41602278     -0.83503777     -2.72961675
  H      0.53202545      0.34513883      5.28375674
  H     -1.53767357      1.64122012      2.01536373
  O     -0.62688754     -0.86467849      5.73534409
  H      1.71436611     -1.65477372     -2.31588878
  H     -0.61034466      2.42901351      1.07597287
  O     -0.83551225     -0.30077202     -1.09104518
  H      0.53598908     -0.66556131     -2.36752114
  H     -3.31394852      1.07672033      5.15883696
  O      2.29360905     -2.99781302     -1.03700661
  H     -0.67583660     -1.78311083      5.44767771
  H     -3.95391687     -0.33277310      4.91116118
  O      3.38669186     -0.92154155      0.34878396
  H     -1.51951218     -0.50943522      5.61810549
  H     -2.39652671      0.00945770      3.33966612
  O     -4.09403014      2.71878229      2.40070956
  H     -0.31044356      0.35472392     -0.60854110
  H     -1.31355069     -0.72041730      2.48592987
  O     -3.41884961     -3.19013397      3.41001928
  H     -1.75469839     -0.16779150     -0.83791443
  H     -0.54200449     -1.99262845     -0.50999472
  O     -0.79793850      3.07451424      4.37559483
  H      2.95235410     -3.66886558     -1.19400841
  H      0.51532964     -3.11178384     -0.46038616
  O      2.90945337      1.14191907     -1.59977759
  H      2.71644275     -2.31220119     -0.48918688
  H      1.66473235      0.52444068      3.28581719
  O     -5.54272469      0.36668091      2.11544486
  H      3.39150222     -0.18110792     -0.27034945
  H      1.19401031     -0.67369477      2.43485378
  O     -5.40347536     -1.27088023      4.26445913
  H      2.96776174     -0.58901634      1.15311830
  H     -3.59095390      3.57789018      5.82401420
  O     -1.35912110      2.53327452      1.67514467
  H     -3.99073819      2.88592604      3.34609450
  H     -2.42826385      3.03533110      4.95581791
  O     -3.12029444      0.13875314      5.03345161
  H     -3.20798744      2.82827797      2.03228389
  H      1.53392505      1.58773154     -0.39877908
  O     -1.98643238     -0.02905655      2.46675659
  H     -4.13626441     -2.61273960      3.68997943
  H      1.14285611      1.09266950      1.01861445
  O     -0.36925870     -2.87733339     -0.15326406
  H     -3.36918119     -3.13380264      2.44465256
  H     -1.90861646     -3.38713623      4.18890132
  O      1.75679894      0.11641499      2.41733698
  H     -0.11424692      2.43658346      4.61164394
  H     -0.90814767     -4.32902308      4.90334523
  O     -3.37369526      2.92207898      5.16757619
  H     -0.87939585      3.04003823      3.41286449
  H     -0.24405887     -2.58638259      3.13215379
  O      0.80391039      1.54339451      0.23014147
  H      3.43819652      1.63326671     -2.22209464
  H     -0.11319850     -2.41390144      1.57497155
  O     -1.00567221     -3.44804096      4.55382957
  H      2.41702382      0.47456920     -2.11077964
  H     -2.22978355     -3.08808938      0.31495906
  O      0.01662559     -1.97950854      2.42845815
  H     -5.10976007     -0.01964284      1.35024700
  H     -3.35357181     -2.04032128      0.29242022
  O     -3.11888315     -2.90456683      0.64492653
  H     -5.11854047      1.23046139      2.23928515
  H     -2.94976448     -0.03289817      0.98681916
  O     -3.40879668     -0.02428240      0.12647074
  H     -6.26998690     -1.49052968      4.59550018
  H     -3.67165738      0.88262945     -0.02936602
          69
 Energy    -248.83279684565412     
  O     -1.37941816      4.62578044      4.81777158
  H     -1.07562972      3.96674471      4.17292382
  H     -0.66731524      3.01822219     -0.61995619
  O      0.80741873      1.25120134      1.29148023
  H     -0.59116233      5.01589680      5.18705040
  H     -4.27659998      4.51969344      6.12186042
  O     -1.76779786     -1.12922986      3.40154682
  H      0.66569553      1.63259025      0.41684771
  H     -3.03721317      4.22609113      5.24810169
  O     -4.08563345      1.01096288      0.12564071
  H      0.55935505      0.32032922      1.21565102
  H     -1.33619315      3.63353305      1.43351325
  O     -2.86732591     -2.37839763     -1.64137683
  H     -2.19643565     -0.28747591      3.18108861
  H     -2.57529544      3.93553961      0.56051649
  O     -0.41834998     -1.28701434      1.00860257
  H     -2.49759312     -1.75268205      3.49914774
  H     -4.93139748      3.71734565      3.84696149
  O     -5.16760010     -0.87824730      5.64873235
  H     -4.22905337      1.96446148      0.08407928
  H     -5.76049592      2.59400303      3.19455370
  O     -5.85929583      0.77688092      3.46246113
  H     -3.28677722      0.78118103     -0.37036764
  H     -0.12761536      2.16796808      2.48452814
  O     -1.73569962      0.14010886     -0.99969559
  H     -2.21399063     -2.92513497     -1.18631300
  H     -1.61952599      2.15455775      2.95989639
  O     -5.48282888     -1.03306636      1.34031162
  H     -2.52529618     -1.47656158     -1.60220634
  H     -5.00116919      4.40363122      0.08273727
  O     -3.45991255     -4.25700810      1.46220929
  H     -0.51099151     -2.18955872      0.68062577
  H     -4.79103246      3.70411210      1.44458465
  O     -0.12867375      2.42588613     -1.17544939
  H     -0.83988720     -1.27469779      1.88076230
  H     -4.64405643     -1.93675889      2.73778746
  O     -3.94142735      3.93071810      5.44960745
  H     -4.53073273     -0.17437295      5.87413260
  H     -4.56333252     -2.03267963      4.27968959
  O     -1.61093968      3.89881206      0.54873988
  H     -5.60358007     -1.12435028      6.45979222
  H     -0.57464871      1.40383348      4.69101692
  O     -5.42267048      3.48910086      3.04871330
  H     -5.91407492      0.15943138      2.72063950
  H     -0.98604297     -0.06996782      4.78186391
  O     -0.77750674      2.63126267      3.03513112
  H     -5.77650291      0.24009165      4.26002575
  H     -2.54065212      1.02728345      5.91844925
  O     -4.44673342      3.77375028      0.53581329
  H     -1.28944639     -0.33948128     -0.28539107
  H     -3.66660665      2.09218212      5.92412535
  O     -4.23306519     -2.42889444      3.46400038
  H     -1.17575373      0.89583100     -1.21534154
  H     -5.78154125     -3.54755160     -1.15433519
  O     -0.83692197      0.72198371      5.31717259
  H     -5.55154112     -1.76867706      0.71959085
  H     -4.42238153     -2.82825056     -0.97985079
  O     -3.48339406      1.16159465      6.09078194
  H     -5.02848737     -0.32493846      0.85926687
  H     -1.92285384     -4.04280866      0.65246542
  O     -5.21782819     -3.13332351     -0.50675728
  H     -4.13813156     -4.01710756      0.81810619
  H     -0.67108016     -4.67589213     -0.00021538
  O     -1.13946365     -3.85230806      0.10541008
  H     -3.69327135     -3.78577331      2.27227364
  H     -3.32682696      1.12871890      1.77090561
  O     -3.08392741      1.19228820      2.70379941
  H      0.32871422      2.97600957     -1.80510956
  H     -3.91476499      1.19284256      3.19120159
          69
 Energy    -248.83279284248721     
  O     13.99654863      9.72559888    -10.82703392
  H     13.82478759     10.23557636    -11.62986115
  H     17.34125984      4.68429833    -11.97689791
  O     13.76829034     10.38653508    -16.87219046
  H     13.34793299      9.00641980    -10.77850559
  H     12.20235307      7.11868298    -11.67125143
  O     16.64612014     11.06538326    -13.41662106
  H     13.42523429      9.69423004    -16.29338752
  H     13.13639665      6.81321381    -10.48704479
  O     14.22589014      4.81276820    -12.88190716
  H     13.55911326     11.22215936    -16.43600875
  H     18.88051504      7.42086710    -13.04107813
  O     16.19990446      7.12469186     -8.32386869
  H     15.69145759     10.94691006    -13.33630070
  H     18.57626335      7.82310977    -14.49713082
  O     16.26444673     12.77200246    -15.60709034
  H     17.02429947     11.03797694    -12.52606567
  H     14.52873298     12.90203030    -15.42884802
  O     15.80392412      7.89259826    -11.98115562
  H     14.35489908      4.99270611    -11.94027220
  H     13.17265935     13.65056392    -15.41772963
  O     13.81320967     10.79291026    -13.34826570
  H     15.10830656      4.79072264    -13.26351536
  H     12.57432182      7.86241675    -14.39666483
  O     18.51914092      8.08233883    -11.36682913
  H     16.13544436      8.08163250     -8.43407189
  H     14.00615196      8.10865317    -14.89563603
  O     17.69023789     10.71743749    -10.89866827
  H     17.11740596      6.88902264     -8.50758004
  H     16.54410906     10.59257053    -18.41861134
  O     17.03105672      5.04297287    -13.92920695
  H     16.44672502     12.15042174    -16.32200632
  H     15.47039421     10.45026434    -17.31434816
  O     17.35246172      4.59089426    -11.01932586
  H     16.54567432     12.32410456    -14.79625880
  H     11.26460432      5.77035283    -13.60911258
  O     12.48178099      7.44506775    -10.80726631
  H     15.66553580      7.79763929    -12.93018841
  H     12.78198105      5.76527831    -13.31790508
  O     18.80064058      7.06781376    -13.93882493
  H     15.23257972      8.60083160    -11.65739504
  H     15.21597049      6.19145557     -9.50377627
  O     13.56788767     12.79013311    -15.31050026
  H     13.62420433     11.55268374    -13.91226958
  H     15.19778940      6.54522807    -10.99842036
  O     13.13207780      8.52384266    -14.82089838
  H     13.52546109     10.00725750    -13.83526973
  H     19.46505894      5.74671933     -8.84882492
  O     16.42347653     10.57251771    -17.47304152
  H     18.71153715      7.50800117    -10.61620464
  H     18.34596097      5.53927405     -9.89750542
  O     12.00485377      6.34171167    -13.41876529
  H     17.56532445      8.01649280    -11.53371953
  H     16.01721210      6.55218457    -14.65911892
  O     14.88857059      5.87903409    -10.36089633
  H     17.13179408     10.55796211    -10.12950487
  H     16.31089732      8.03749904    -15.01942695
  O     18.75174076      6.19119697     -9.29918559
  H     18.17997673      9.89404970    -11.03102125
  H     15.54018803     10.52766225     -8.12696301
  O     15.60957676      7.41617429    -14.77074634
  H     17.35293015      4.33986876    -14.48922010
  H     15.12207652      9.92340801     -9.48578226
  O     15.83333650      9.94284634     -8.82213573
  H     17.71858507      5.73698940    -13.92771221
  H     17.31698769      9.66131831    -16.11694433
  O     17.58020404      9.25218870    -15.28298982
  H     16.47406836      4.86203562    -10.72153886
  H     17.35164561      9.88345918    -14.58313520
          69
 Ord_Energy   -248.832764    
 O    7.68382740       3.64570498       2.25227785    
 H    8.28514385       3.14966965       1.68434787    
 H    7.55814219       4.50535154       1.82236600    
 O    6.30505037       5.67925215      -1.59827292    
 H    5.86897039       6.49512386      -1.87239039    
 H    5.60869598       5.00668430      -1.55599892    
 O    2.13029242       4.31763220       4.19041252    
 H    2.29368997       5.25812244       4.35702276    
 H    2.92160940       3.83586121       4.45312881    
 O    4.26118851       3.75977540      -1.53540099    
 H    4.69026375       2.96275496      -1.86860275    
 H    3.94791579       3.56112981     -0.640792668    
 O    2.65152788       6.03682518      -1.86842108    
 H    1.95860231       5.98175240      -1.20151734    
 H    3.11076856       5.18572903      -1.85952246    
 O   0.784741521       3.75948048       1.96472168    
 H    1.22713983       3.98246264       2.80682635    
 H   0.133160740       3.09321427       2.16446042    
 O    2.57728386       7.54707289       1.57254493    
 H    1.84465098       7.13127375       1.10569310    
 H    3.27091718       6.87103605       1.62817585    
 O   0.661747992       5.93288469      0.221867517    
 H  -0.254591107       6.15310097       6.85421228E-02
 H   0.666872323       5.17297268      0.824770808    
 O    5.85994005       1.58985984      -2.31568599    
 H    6.62939501       2.18890476      -2.31207037    
 H    5.90338516       1.08951175      -3.12632608    
 O    7.18395185       6.01000738      0.979089439    
 H    7.19080305       6.92007399       1.30210388    
 H    6.97001886       6.00199747       3.55955288E-02
 O    6.79896784       8.52196407       2.14439821    
 H    7.31054497       9.31574917       2.27451229    
 H    6.05083227       8.75950623       1.56619287    
 O    4.62050056       7.88000965      -2.13215637    
 H    3.85934043       7.27672863      -2.04930449    
 H    4.48827457       8.37960911      -2.93368363    
 O    5.44465351       1.97400653       2.30774784    
 H    4.71816015       2.38623333       1.81761897    
 H    6.19932985       2.58282399       2.28316617    
 O    4.49397755       2.76481271       4.79533195    
 H    4.47641659       2.05477047       5.43354940    
 H    4.80778074       2.37953377       3.96123672    
 O    4.58596039       5.64925289       1.94049621    
 H    4.72937298       5.98139334       2.83642578    
 H    5.43474579       5.74835730       1.49245512    
 O    7.90615749       3.35325146      -2.06977248    
 H    8.39113235       3.11920190      -1.26873291    
 H    7.55036116       4.24172211      -1.94501245    
 O    4.71411896       8.99374962      0.496039271    
 H    4.72423363       8.69121361     -0.419669181    
 H    3.88865685       8.66058826      0.874011695    
 O    6.81987953      0.613584697      0.214200854    
 H    6.25942659      0.915509164      0.940719903    
 H    6.36371374      0.839048624     -0.605814934    
 O    3.42616773       3.37326574       1.04758823    
 H    3.80161929       4.18959093       1.41929817    
 H    2.49802232       3.35459733       1.30227017    
 O    2.68064237       7.01770735       4.39302206    
 H    3.63050079       7.14207554       4.52936935    
 H    2.49684477       7.37386990       3.51513505    
 O    6.70133018       4.62655115       4.73756456    
 H    5.96471643       4.02298260       4.89254856    
 H    7.17844105       4.26800632       3.97818422    
 O    5.46456337       7.01667213       4.23336363    
 H    6.00544119       6.25868654       4.50522852    
 H    5.99252701       7.56964922       3.64668489    
 O    9.05314732       2.16376090      0.291282177    
 H    8.31726456       1.52533460      0.263502717    
 H    9.85978031       1.65530944      0.302042633    
          69
 Energy    -248.83260201748362     
  O     11.56588394     10.05257251    -14.89221740
  H     11.99438721      9.49080361    -15.55345416
  H     15.40801756     10.29751453    -15.27061163
  O     16.01360004      6.67863064    -13.19050312
  H     12.05165165     10.88452182    -14.89449836
  H     15.20977983      8.12285727    -13.96422348
  O     16.90394975     11.03381772    -11.91435047
  H     16.72743830      7.25411323    -12.87967980
  H     14.14173894      8.66709851    -14.95939792
  O     13.05668664      5.66737468    -15.86862707
  H     15.39852957      6.56250007    -12.45527604
  H     10.01154228      8.62367962    -12.56085463
  O     14.78518767      9.07167155     -8.57540150
  H     17.18870652     10.12881793    -12.12042363
  H     11.15935637      9.15504063    -13.44814215
  O     14.18998780      6.58760031    -11.11245296
  H     15.95724655     11.08953784    -12.10569301
  H     17.55329828      7.46366741     -9.45684657
  O     14.21609656     10.94441775    -12.55768555
  H     12.56327256      4.90449214    -16.15783501
  H     17.96303684      8.94286641     -9.42683541
  O     17.29808071      7.93747453    -16.75696707
  H     12.82491702      5.81054369    -14.93302175
  H     11.84254031      6.98112651    -13.11938211
  O     15.89932757      6.61835965     -8.85789818
  H     15.48487758      9.71089198     -8.76077861
  H     12.98910716      6.14194533    -12.53509069
  O     15.94706653      5.74735155    -15.77866253
  H     14.09984769      9.19641790     -9.24452255
  H     17.19272386     11.41974996    -15.09475926
  O     19.24084964      8.99135202    -14.81360938
  H     13.82442160      7.47723470    -11.00498859
  H     17.68484787     11.48099453    -13.63405552
  O     15.51840617     11.03530818    -15.89173494
  H     14.75719232      6.43332068    -10.34715666
  H     18.23797468      8.27483792    -11.53671320
  O     14.76838534      8.92310669    -14.27111834
  H     13.82838346     11.60036483    -13.14642080
  H     18.56308341      8.54034749    -13.08397291
  O     10.95911837      8.60631155    -12.66925699
  H     14.36321223     10.15526068    -13.10816815
  H     17.45043296     11.42259708     -8.74256065
  O     18.24852425      8.07336340     -9.73431939
  H     16.89304039      7.11354778    -16.44309889
  H     17.04185710     10.90380592    -10.13892831
  O     12.39425069      6.20845765    -13.29184138
  H     17.95275510      8.20356311    -16.10522816
  H     15.52713672      9.22441779    -18.98533051
  O     17.98837790     11.40586261    -14.54739007
  H     15.48416799      7.47858174     -8.66130632
  H     16.08970847      8.76615892    -17.61707948
  O     17.87717023      8.49579149    -12.40792948
  H     15.85977474      6.10378738     -8.05580279
  H     13.45969688      9.87110635    -11.31958081
  O     17.07488265     10.67197519     -9.19596755
  H     16.04379474      5.93216254    -14.83221096
  H     12.22991799      8.95542232    -11.31421283
  O     15.35659282      9.24656257    -18.04828406
  H     15.00169216      5.62238000    -15.91238254
  H     14.10364363     11.99034196    -15.29090318
  O     13.03754314      9.15479781    -10.82406726
  H     20.13850671      9.09442491    -15.11920537
  H     13.22477530     13.25390300    -15.14905392
  O     13.32295852     12.35634604    -14.84203957
  H     18.85591291      9.88504993    -14.76940176
  H     13.83212324      8.60650849    -17.12119097
  O     13.13617567      8.38103658    -16.49098267
  H     15.49319711     10.62709715    -16.76566278
  H     13.08487146      7.41776863    -16.42296275
          69
 Energy    -248.83255737541333     
  O     17.79150583     11.39495004    -12.80956946
  H     17.01681069     11.87924487    -13.12116942
  H     15.14054599     12.64170332    -10.46804589
  O     14.79212494      6.55022106    -11.26382899
  H     17.54843724     10.99711797    -11.96727019
  H     13.96853688      9.74904200    -11.44392503
  O     12.38139802      8.42993884    -14.45691214
  H     13.94555200      6.34673202    -11.68389840
  H     14.63680530      8.33793317    -11.64955050
  O     12.63691218     10.69836976    -10.66723246
  H     15.48566090      6.36908148    -11.91404977
  H     18.62273642     10.23223313    -13.78669879
  O     15.38912034      6.33665681    -16.71614684
  H     13.11874345      9.05014741    -14.53660780
  H     19.84586530      9.79316864    -14.62945508
  O     16.66885469      6.22525121    -13.25355749
  H     12.39873217      7.87639609    -15.24827807
  H     12.76805961      5.19101885    -15.35314938
  O     14.65739868     10.07995335    -14.44141225
  H     12.53726892     10.16064376     -9.87395519
  H     12.70896791      5.06371841    -13.82354169
  O     12.53253122      8.71572703     -8.61389995
  H     11.93416095     10.44311478    -11.28511286
  H     17.98867542      7.18417987    -12.24600317
  O     15.66292891      4.15108399    -14.85753188
  H     15.59340519      5.54020108    -16.21158618
  H     18.85297976      8.37710115    -12.66950640
  O     15.12588770      7.96879583     -8.91805774
  H     15.89293393      7.04986658    -16.29993144
  H     10.63341636      8.83063327    -11.81392358
  O     10.82140040      7.42279330    -10.43507706
  H     16.62747086      6.95312976    -13.89055736
  H     11.22837720      9.24659790    -13.17872353
  O     14.48874495     12.74720043    -11.17434088
  H     16.42917661      5.42720397    -13.74067774
  H     12.39192147      7.11341895    -13.17495187
  O     14.69024902      9.27458438    -11.87797887
  H     14.71505948      9.76059698    -13.52438480
  H     11.76653477      6.63324794    -11.83247515
  O     19.02333240      9.48167591    -14.26226337
  H     14.84546444     11.02391254    -14.38932623
  H     13.66664005      6.58499177    -16.71891007
  O     12.99294331      4.60094436    -14.62299131
  H     13.46679229      8.44932845     -8.68125491
  H     12.32493379      6.61769292    -17.48965070
  O     18.52339820      7.90705541    -11.89381015
  H     12.37889820      8.93182498     -7.69741772
  H     17.20498088     12.53902693     -8.87371909
  O     10.80821328      9.59172484    -12.37967362
  H     15.84289637      3.22435685    -14.98946605
  H     16.72072190     11.26175198     -9.57511480
  O     12.36150302      6.37626391    -12.54664964
  H     14.70064665      4.23613657    -14.73202520
  H     15.97110061      8.95271903    -14.99475920
  O     12.70007843      6.65185433    -16.61389046
  H     15.85004478      8.55040005     -9.16661416
  H     17.50504349      8.68884461    -14.97198181
  O     16.43046480     12.12876945     -9.25165020
  H     15.06841689      7.31185892     -9.62924430
  H     15.34779350     13.56498947    -14.07877081
  O     16.64959246      8.28348109    -15.16080546
  H     11.40505634      7.82666297     -9.77432671
  H     15.04157958     12.75415473    -12.79776276
  O     15.41376862     12.69396441    -13.69743978
  H     10.08810436      7.04191652     -9.95704739
  H     17.62694445      9.06875428    -10.85323817
  O     17.00926358      9.71999981    -10.48872427
  H     13.75789129     12.15405512    -10.95826938
  H     16.18562531      9.62872314    -10.99331598
          69
 Energy    -248.83201667950738     
  O     15.83761672      4.99056720    -12.43650679
  H     16.03715283      4.64728678    -13.32037322
  H     18.02186297      6.76600346    -15.41587950
  O     14.73493049     11.29444165    -12.29750802
  H     16.59832655      4.81153921    -11.87238986
  H     16.39391814     10.83506463    -15.17980797
  O     17.33272661     11.38945260    -13.60626745
  H     14.18114996     10.88156117    -12.97605734
  H     16.19183915      9.43802722    -15.80198758
  O     11.25367442      7.73141896    -16.52510872
  H     15.59091066     11.45034028    -12.71230524
  H     15.51892702      8.21743233    -12.04065248
  O     16.87551147      6.69930507     -9.07630934
  H     17.74860570     10.65034029    -13.13394418
  H     15.91864124      6.80520179    -12.57811647
  O     12.88509580      7.13366599    -14.32127381
  H     17.95060565     12.11616300    -13.57103960
  H     13.41972051      7.17964949     -8.66282570
  O     13.49314651      9.91068167    -14.37783302
  H     11.84746342      7.47136416    -17.23959952
  H     14.25770034      7.87070711     -9.76277033
  O     13.93721119      9.94032679    -17.87183224
  H     11.66734909      7.41223639    -15.70995744
  H     18.73179508      4.17017603    -10.63359937
  O     16.45419495      4.30625797    -15.01843446
  H     17.28137824      6.02195444     -9.63160998
  H     18.65167476      5.48157446    -11.45283702
  O     16.54027739      7.74468091    -15.40523052
  H     15.91888153      6.60358367     -9.15484629
  H     13.36210403      6.20790697    -11.01856154
  O     14.55968237      6.03949652    -16.23541614
  H     12.92055079      6.70125976    -13.45621741
  H     14.07572836      5.38226734    -12.09051794
  O     18.73537980      6.11273627    -15.31751850
  H     13.14386774      8.05702599    -14.20561548
  H     17.53416077      8.63163776    -12.41684362
  O     15.87329148     10.35367255    -15.83294095
  H     14.30173456     10.03394771    -14.89450355
  H     18.24086248      9.30455465    -11.22568673
  O     16.01982078      7.75622104    -12.72279095
  H     12.76351379     10.18431209    -14.94835816
  H     19.25277322      6.37548893    -13.52535742
  O     14.01616602      7.00587818     -9.38724811
  H     14.66729805     10.19975152    -17.29574380
  H     19.23382862      7.50878494    -12.47388683
  O     18.15612889      4.89887721    -10.84980520
  H     13.13157693     10.25195297    -17.43981698
  H     17.99222005      9.62414826     -8.63775029
  O     13.25286796      5.85917215    -11.90968204
  H     15.77874231      4.76322288    -15.53892377
  H     17.44920622      8.31522692     -9.26272202
  O     18.29262755      9.19187002    -12.18410501
  H     17.28546418      4.76387915    -15.18801781
  H     13.33331973      7.20075417    -19.37469632
  O     19.40439374      6.56708921    -12.59084140
  H     16.32861983      7.80009289    -14.46019978
  H     13.63700691      8.25914049    -18.28808014
  O     17.65680059      9.25023753     -9.44772055
  H     15.87215302      7.16586560    -15.79994437
  H     14.83779245     10.05153019    -11.06837535
  O     13.38807874      7.32863059    -18.43155478
  H     14.19024214      6.35615003    -17.06879622
  H     15.88528477      9.39198473    -10.12086011
  O     15.01780641      9.26921751    -10.52576177
  H     13.95486337      6.32876584    -15.53437955
  H     11.32931438      9.47251892    -16.42443035
  O     11.55297937     10.41822032    -16.34841167
  H     19.28488233      6.18656881    -16.09413032
  H     10.73810056     10.90436175    -16.43465716
          69
 Ord_Energy   -248.831741    
 O    1.09782839      -2.15481806     -0.153465226    
 H   0.248545066      -2.55063677       7.56038427E-02
 H    1.17292464      -2.23765254      -1.11662352    
 O   -1.31945601E-02   2.46134377      -1.18585420    
 H   0.627736866       3.18031549      -1.25522482    
 H   0.230984256       1.89041770     -0.444814622    
 O    2.17347240     -0.296602249      -6.13995647    
 H    1.24236703      -8.09213668E-02  -5.99319506    
 H    2.65452123      0.534464180      -6.04679585    
 O    3.17200732      -2.45892525      -4.90210247    
 H    2.82318687      -1.68721366      -5.38622904    
 H    3.17873025      -3.18867874      -5.51552582    
 O   -2.10402918     -0.251271874      0.152528137    
 H   -1.27536118      0.124818720      0.466893196    
 H   -1.98443174      -1.21013165      0.166487053    
 O    3.81956148       1.09018779      -2.99946713    
 H    3.86050439       1.42289805      -3.90593147    
 H    4.24190331      0.223322466      -2.97149062    
 O    1.18002582      -2.21603274      -2.89318275    
 H    1.81026363      -2.42560029      -3.58840466    
 H    1.06638503      -1.25214493      -2.89857483    
 O    3.39390945      0.965176761       1.30030155    
 H    3.84272742      0.914383650       2.14013076    
 H    3.60693717      0.144683421      0.819505334    
 O   -3.59413743      0.568947434      -1.98217285    
 H   -4.50700998      0.465237230      -1.72602260    
 H   -3.05995917      0.302589685      -1.21359324    
 O    3.77222037       2.81291723     -0.822154582    
 H    3.67589450       2.25310612      -4.29179706E-02
 H    3.88432360       2.21212578      -1.57300806    
 O    3.52987432       2.14196658      -5.56605244    
 H    4.08433247       2.65545201      -6.14679909    
 H    2.84507608       2.74704242      -5.22387505    
 O   0.656932712      0.520060778      0.675679326    
 H    1.51705587      0.776941597       1.02885759    
 H   0.781427205     -0.376860768      0.333766460    
 O   -2.52825546     -0.999474883      -4.13263178    
 H   -1.85094965     -0.491670728      -4.59508276    
 H   -2.90135479     -0.415114045      -3.46109772    
 O   -1.05113065       3.28652978      -5.20439005    
 H   -1.51923466       3.16491866      -4.35729456    
 H   -1.62041664       3.81069613      -5.76062250    
 O   -1.48344672      -3.09495068      -2.67047334    
 H  -0.547449410      -2.92833614      -2.83889627    
 H   -1.95242596      -2.44163203      -3.21008968    
 O    4.77931547      -1.54434216      -2.82974815    
 H    5.66482019      -1.88927293      -2.92199636    
 H    4.25544405      -1.92528880      -3.55232882    
 O  -0.354548723      0.541109741      -5.25559711    
 H   0.124962799      0.547460675      -4.41257381    
 H  -0.640477896       1.45141578      -5.39794874    
 O   -2.20164394       2.85702229      -2.82113767    
 H   -1.47711539       2.79595137      -2.18211484    
 H   -2.79335213       2.12826896      -2.59867883    
 O    1.06647277      0.519947231      -2.87697601    
 H   0.629424095       1.16194928      -2.30454516    
 H    2.00279069      0.754464626      -2.90577340    
 O    1.86854756       4.46284485      -1.73263013    
 H    2.61134124       3.93999362      -1.37828684    
 H    1.96269631       5.34791613      -1.39144111    
 O    3.77565098      -1.34188724      -7.67201632E-02
 H    4.08863878      -1.46621048     -0.978197515    
 H    2.90037179      -1.75257492      -2.97467299E-02
 O    1.65903163       3.75387955      -4.51062822    
 H    1.69618583       4.04204416      -3.59127641    
 H   0.727189124       3.64930201      -4.74076128    
 O   -1.57716131      -3.03303671       1.38752097E-02
 H   -1.61476874      -3.09845209     -0.959390998    
 H   -2.04311562      -3.78841615      0.359953433    
          69
 Energy    -248.83128506045000     
  O     15.50872212     11.75864853    -16.14653022
  H     15.23022598     12.66103966    -16.29096056
  H     19.99545835      6.15437724    -16.85167695
  O     13.83699510      5.11043404    -15.75400537
  H     16.26969922     11.79735306    -15.54726218
  H     17.86209902      8.38589882    -16.85610276
  O     18.52785359      7.66070997    -12.20008858
  H     13.79330291      5.97848788    -16.18385805
  H     18.94593797      8.17722366    -17.93853687
  O     19.49009177      6.54812869    -18.65625635
  H     13.91756197      5.29799615    -14.81251805
  H     15.77807131      7.60429436    -16.12122807
  O     16.88252989      5.89457039    -18.97479896
  H     19.32911943      7.67823593    -12.73526358
  H     16.67634079      8.16221266    -14.96858587
  O     14.63125627      8.73601971    -10.15239513
  H     17.90036701      8.26417133    -12.62735105
  H     13.59294354      9.56979030    -14.46843934
  O     14.20729202      5.90420826    -13.02334078
  H     19.96238982      6.32369999    -19.45301364
  H     14.15877244     10.51359911    -15.56717909
  O     16.68431688      9.21350430    -13.50016378
  H     18.56608954      6.26723218    -18.78985752
  H     14.27383468      7.79768196    -17.76795173
  O     17.51685232      5.00763647    -15.36407904
  H     16.44420344      5.22591749    -18.43472529
  H     13.77578213      8.41852293    -16.40899885
  O     19.61324258     10.15288653    -15.25999399
  H     16.23574318      6.58776283    -19.15136167
  H     21.61315329      7.70245558    -13.79109880
  O     15.73325196      3.91732334    -17.25160176
  H     15.38423181      8.12605818    -10.08794992
  H     20.49102065      7.15776194    -14.70160461
  O     20.07162646      5.98261709    -15.90607104
  H     14.45932461      9.03648563     -9.26410940
  H     17.48535430      6.13705130    -12.52057347
  O     18.48602873      8.85640517    -17.43211482
  H     15.15498596      5.72746049    -12.89549227
  H     17.11982694      5.08168706    -13.57633957
  O     16.67407079      7.60724664    -15.75951637
  H     13.74298130      5.41897470    -12.34458300
  H     17.51176735      7.34784112    -10.63643959
  O     13.49480243      9.83663781    -15.39222550
  H     15.75737271      9.15445554    -13.23099499
  H     16.59575788      6.14103668    -10.59066887
  O     14.08838782      7.60911454    -16.84086662
  H     16.90429222     10.13064292    -13.69494846
  H     17.16102514      9.85746333    -18.18487289
  O     20.69264635      7.81695005    -14.01319416
  H     17.00675570      4.47722269    -15.98618942
  H     16.00316692     10.76901588    -17.72619862
  O     16.87644194      5.40738043    -12.69838543
  H     17.23419539      5.92656772    -15.50378031
  H     14.14393690      8.83684255    -11.87570691
  O     16.77036845      6.97154127    -10.13991082
  H     20.02929512      9.42945431    -14.77719044
  H     14.02730579      7.77477420    -12.99128501
  O     16.31940138     10.24336897    -18.46883878
  H     19.31400296      9.76969880    -16.09718968
  H     18.39802603     11.20297701    -14.69099503
  O     14.05883364      8.72834336    -12.83495319
  H     15.46005140      3.04120972    -17.50890042
  H     17.99873728     12.39183317    -13.78080994
  O     17.64186136     11.72340317    -14.35911372
  H     15.00862950      4.29241188    -16.71812242
  H     15.48919112      8.88647379    -19.14922659
  O     15.04236097      8.06791246    -19.43206650
  H     19.26523833      5.50469140    -15.66781594
  H     14.61509517      8.25954791    -20.26245222
          69
 Ord_Energy   -248.831055    
 O   -5.05069590       1.21633732     -0.644984722    
 H   -5.48883343      0.844892919      -1.40632355    
 H   -5.62655830       1.92863166     -0.309664965    
 O   -3.70724010       1.02242661       5.58360291    
 H   -3.12067914       1.78571117       5.65498018    
 H   -4.59948206       1.36300528       5.72464323    
 O   -2.95571661       5.24889135      0.119663283    
 H   -2.53264666       5.42014074      0.975027144    
 H   -2.34752417       5.57108927     -0.558096766    
 O   -3.08106732     -0.498424977       3.42286706    
 H   -3.32282686       2.47599999E-03   4.22321081    
 H   -2.73274088      -1.33574891       3.71728611    
 O   -6.28120089       2.24640822       5.85011768    
 H   -6.95429659       2.07812452       6.50420237    
 H   -6.10675430       3.20495272       5.86828136    
 O  -0.888854086       5.93812704      -1.65685356    
 H  -0.534768820       5.03352880      -1.57258642    
 H  -0.742209375       6.20961380      -2.55853415    
 O   -3.55229899E-02   3.42237473      -1.13932121    
 H  -0.839976192       2.93815303     -0.910908580    
 H   0.506623745       3.46633267     -0.341499060    
 O   -2.97879982       7.19500446       4.28334904    
 H   -3.81707788       6.90078735       3.89878678    
 H   -2.96980643       6.83685875       5.17807722    
 O   -5.72998190       4.89815092       5.79385996    
 H   -4.93919516       5.23079109       6.23526430    
 H   -5.73372507       5.30689669       4.91828108    
 O    1.51714027       3.90987229       1.22767794    
 H   0.979627252       3.76026654       2.02222180    
 H    2.40362000       3.62935734       1.44205892    
 O   -1.51930225       5.85679293       2.39758086    
 H  -0.804665446       6.32129908       1.93883264    
 H   -1.92705297       6.43440580       3.05777717    
 O   -1.88574111       1.70425308       2.19282222    
 H   -2.09369659       1.81802368       1.25478923    
 H   -2.23941255      0.863295138       2.50653219    
 O   -6.41453695       2.14264512       3.03718448    
 H   -6.17514277       1.25911140       2.71391678    
 H   -6.52306366       2.09594059       3.99362850    
 O   -5.62142706       5.86297703      0.388766527    
 H   -4.67851305       5.67039108      0.247814044    
 H   -5.85429668       6.56253576     -0.216376796    
 O   -3.14923906       5.67462158       6.73732519    
 H   -2.76954889       4.88159657       6.32203770    
 H   -2.73139477       5.76631641       7.58965397    
 O   0.556210697       6.60847187      0.754303098    
 H   0.133459210       6.54390287     -0.111013211    
 H    1.02540362       5.77303982      0.874809206    
 O  -0.271258414       3.59200191       3.31622219    
 H  -0.732098222       4.40383768       3.04547954    
 H  -0.764530838       2.84811759       2.93447304    
 O   -5.19246864       5.85869646       3.19153094    
 H   -5.50876284       6.01381540       2.29574609    
 H   -4.67437172       5.03903484       3.14079452    
 O   -2.28630066       3.48487830       5.32116747    
 H   -1.43798375       3.49920678       4.86260796    
 H   -2.95840025       3.52388668       4.62176514    
 O   -6.56311321       3.16975737      0.435419828    
 H   -6.32941532       4.10470009      0.420412749    
 H   -6.66857719       2.92142367       1.36445248    
 O   -3.94367814       3.41119099       3.09295344    
 H   -4.78216410       2.92955518       3.06335711    
 H   -3.27119756       2.84549975       2.69636798    
 O   -2.59024239       2.48612070     -0.330600500    
 H   -2.81383276       3.41368866     -0.166954622    
 H   -3.41225767       2.02250624     -0.536170244    
 O   -5.44239235     -0.134446785       1.88717449    
 H   -5.21116590      0.187395319       1.00755572    
 H   -4.61733627     -0.352996826       2.33820558    
          69
 Energy    -248.83104021155077     
  O      1.50966929     -1.49304290      4.97001514
  H      0.61739662     -1.86740431      5.08588030
  H     -1.96628416      4.67985299      2.24328797
  O      1.50490234      0.21066166     -2.81939135
  H      2.03341266     -1.80402753      5.70425645
  H     -2.17756441     -0.13597253      3.97657720
  O     -1.04687217     -2.36028677      5.27052104
  H      0.74437675      0.53732223     -2.32003740
  H     -2.97261088      0.89223596      4.80124639
  O     -0.49089883      0.74354578     -0.87190619
  H      1.40737161     -0.74953438     -2.83596072
  H      0.68156553      1.85799602      2.02658813
  O      1.26147993     -2.61169120     -2.31813728
  H     -1.43906799     -3.03199466      4.69926260
  H      0.13625776      1.87454268      3.49825346
  O      3.08653181     -2.09228614     -0.36958199
  H     -1.67579201     -1.62944843      5.31389601
  H     -1.95442829      1.87698335     -0.50580773
  O     -3.76998819      2.38691093      4.12534346
  H      0.22739211      0.79394361     -0.22684957
  H     -2.56686433      2.88664045      0.50614252
  O     -4.17324262     -3.25447581      2.08609745
  H     -0.79022422     -0.17537706     -0.87719211
  H     -1.10004889      0.64814304      2.27499662
  O      0.20374442      1.05654112      5.06230932
  H      1.55512569     -3.34362161     -2.85403761
  H     -2.44813800      0.01368508      1.78673942
  O      3.59373960      0.63158912     -1.12924479
  H      1.91990454     -2.50181703     -1.60841059
  H     -0.36877954     -2.30024720     -1.50062991
  O     -4.93244977     -0.90315655      3.37012682
  H      2.81769818     -2.04430614      0.55680770
  H     -0.89593796     -2.32244859     -0.03987822
  O     -2.18413789      3.75268092      2.18592086
  H      3.42886156     -1.21759011     -0.59280392
  H      1.09646378     -2.05904711      1.96390308
  O     -2.52823232      0.03383914      4.86618528
  H     -4.65963581      2.30062914      3.78516521
  H      1.95114003     -1.56147877      3.14281138
  O     -0.03733315      2.17121592      2.59119183
  H     -3.28195721      2.89309052      3.46101057
  H      2.42061504      0.91484877      0.29552644
  O     -2.78051998      2.29406937     -0.22435337
  H     -4.10675640     -2.97243055      1.16800744
  H      1.79837008      0.01759551      1.39930584
  O     -1.62520823     -0.16095330      2.26414516
  H     -4.54235396     -2.50612717      2.57817640
  H     -2.85942097     -3.93578787      2.93996127
  O     -1.11205381     -2.04054523     -0.94254105
  H      0.74153320      0.25510705      5.07340212
  H     -2.16433243     -5.17990574      3.54535411
  O      1.93430110     -1.62237812      2.18027378
  H     -0.69986841      0.77057814      5.23972476
  H     -0.99824188     -3.27200494      2.22299985
  O      1.69928641      0.86049405      0.93350144
  H      4.31284381      1.12597389     -1.51213372
  H     -0.96049958     -1.74125767      1.94345382
  O     -2.04973740     -4.24741390      3.38550457
  H      2.90863825      0.54710268     -1.81675428
  H     -2.89149552     -2.13697117     -0.80795201
  O     -0.57891259     -2.59555706      1.67917000
  H     -4.26830055     -0.64603826      4.01697607
  H     -4.30243411     -2.40579424     -1.37923278
  O     -3.83768619     -2.14310734     -0.58832491
  H     -4.73239256     -0.39875788      2.56721250
  H     -3.73788741      0.98665479      0.46479463
  O     -4.05356972      0.21203530      0.95490667
  H     -1.35757570      3.26022694      2.33729322
  H     -4.07840709     -0.53521419      0.34425205
          69
 Energy    -248.83097091520028     
  O     16.60534591     10.49613449    -14.98493098
  H     16.31370507     10.23882295    -14.09443892
  H     13.67707984     11.59475676    -12.07577945
  O     15.27745312      7.48462118     -9.59521574
  H     17.44748950     10.04320245    -15.12338002
  H     18.91256413      4.31309613    -15.84340940
  O     16.54992332     13.16046539    -14.30968966
  H     16.06807940      8.02917750     -9.45401044
  H     18.45995610      5.75730693    -16.17017449
  O     12.78780433      8.33057536    -10.83699825
  H     15.19349485      6.92493222     -8.82611530
  H     15.62253196      6.90334806    -11.36016755
  O     14.56191975      8.86548568    -15.95720472
  H     16.54922924     12.25409262    -14.66050902
  H     15.24295928      6.71958278    -12.88410771
  O     18.94424461      9.01392112    -15.00014351
  H     16.41954522     13.74288568    -15.05376582
  H     17.60639286      7.38915847    -17.47716098
  O     20.38775667     10.53326261    -13.12549687
  H     12.89751512      9.24554209    -11.13996983
  H     18.70689338      7.95414331    -16.53630151
  O     18.45026543      6.79189126    -13.37157673
  H     13.58463302      8.10819292    -10.34618424
  H     17.16909162     10.73307551     -9.96986313
  O     11.67879908      7.31506144    -13.09355632
  H     14.89258942      8.40331483    -16.73748749
  H     16.56405989     10.77472000    -11.36867292
  O     14.89235180     12.94343441    -11.94640794
  H     15.25401000      9.48614309    -15.69140821
  H     15.43881201      7.03440946    -18.83145848
  O     12.28849529      9.78943965    -14.50897555
  H     19.53545280      9.56977141    -14.47733070
  H     15.62928983      6.47017916    -17.40193323
  O     13.27431021     10.71631150    -12.11516837
  H     18.73681101      8.25046006    -14.44058000
  H     15.85650566      8.71435399    -12.43830054
  O     18.34008884      5.01616900    -15.54815668
  H     19.80044106     11.28390967    -12.92345782
  H     14.87329483      9.93986461    -12.39941278
  O     15.96566419      6.88500072    -12.26049610
  H     21.27989268     10.86861183    -13.10378317
  H     18.13982397     12.18578719    -11.76139331
  O     18.48971152      7.22070422    -17.12748548
  H     17.56770878      6.76676183    -12.97090659
  H     18.03932337     12.86666815    -13.13925878
  O     16.91541545     11.34549598    -10.66570627
  H     18.48145599      6.08114321    -14.02277258
  H     18.20046683      8.94533962     -8.46291687
  O     15.72977328      7.26757343    -17.95374071
  H     10.81229711      6.95859147    -12.91888724
  H     18.24206400      8.78860219     -9.99849079
  O     15.79234613      9.66987508    -12.54154840
  H     12.03140775      7.62987445    -12.24142988
  H     13.22255440      6.76676009    -13.90867864
  O     18.66993956     12.51059715    -12.50275189
  H     15.38618936     13.12473770    -12.75526279
  H     14.28140284      7.45409747    -14.81400464
  O     17.64775824      8.94114375     -9.24046821
  H     15.53949484     12.59118546    -11.32222765
  H     19.11213252      7.84148918    -11.97759193
  O     14.11546923      6.67367416    -14.26457026
  H     11.95142867      8.96382545    -14.14022200
  H     19.71605961      9.25050018    -11.86495084
  O     19.30076501      8.55008488    -11.34849403
  H     12.98562708      9.53862838    -15.12874049
  H     16.43121148      5.02177405    -15.86641953
  O     15.54488611      5.20024979    -16.20336384
  H     12.88000988     10.57761295    -12.98930865
  H     15.02240532      5.54080080    -15.46487758
          69
 Energy    -248.83093088175775     
  O     -7.58533841     -2.58028942      6.30638169
  H     -6.76288366     -2.15737124      6.58062385
  H     -2.93387954      1.60321441      2.44908175
  O     -9.61076204     -2.61853803      2.35213988
  H     -8.25085137     -1.88116641      6.24830782
  H     -6.70272687     -1.13653625      3.46835894
  O     -7.82532065     -4.07863893      4.07139739
  H    -10.30685601     -2.18601779      2.86028443
  H     -7.97679089     -0.64917588      4.24096693
  O     -5.36430943      0.59050079      0.66706051
  H     -9.09049099     -3.14631758      2.96857540
  H     -4.65519417     -1.23232345      6.11030206
  O     -6.42151858      1.08809969      5.97091411
  H     -7.73790385     -3.59982314      4.91559127
  H     -4.53140216     -1.43403393      7.63996814
  O     -5.85453785      5.15428379      1.15762416
  H     -7.94200342     -4.99976075      4.28830566
  H     -2.58196725      3.84312636      2.23524572
  O     -9.38169030     -0.56460242      5.56266662
  H     -6.25434287      0.85402254      0.93554778
  H     -1.20574156      3.43024077      1.65909418
  O     -3.92587252     -1.25087840      4.53508750
  H     -5.42452285     -0.33015876      0.38588701
  H     -8.02429845      2.01544850      5.62280194
  O     -4.39775582      3.16257898     -0.00227111
  H     -5.99837867      0.42416556      6.52665157
  H     -8.41733005      2.89632375      4.43854848
  O    -11.48869566     -1.01034469      3.78196808
  H     -6.60771062      0.63106295      5.13454971
  H    -10.06980513      1.78143936      3.78722520
  O     -5.92001658     -2.13233064      0.11913563
  H     -5.37674050      4.45540535      0.67562779
  H     -9.78267752      1.35307436      2.34944227
  O     -3.57959054      0.97268306      2.79249722
  H     -6.04469455      5.84263350      0.52597042
  H     -5.77794036     -2.55554141      1.93090548
  O     -7.21594374     -0.35969098      3.72182751
  H     -9.31861208      0.39689239      5.56601729
  H     -6.40747889     -3.24330934      3.19154579
  O     -5.14990986     -1.20966528      6.95028373
  H    -10.18133303     -0.78926919      5.06829302
  H     -8.90132587     -1.74945155      0.97523201
  O     -2.11379877      3.15069858      1.73470257
  H     -3.68556524     -0.48849424      3.99427309
  H     -8.43743232     -0.32469863      0.58204592
  O     -8.79164077      2.31610159      5.11551876
  H     -4.43799069     -1.83255990      3.95670189
  H     -4.10642825      4.30407790      3.70488465
  O    -10.48478589      1.38708985      3.00867950
  H     -4.72748913      2.25738400      0.06455866
  H     -4.40695990      5.18511523      2.47999413
  O     -5.74909569     -2.60146951      2.89491802
  H     -3.53899052      3.15876679      0.43857391
  H     -4.47814346      2.13946841      3.86082424
  O     -8.44028823     -1.24148674      0.28840881
  H    -12.44160065     -1.03209951      3.79153404
  H     -5.36523955      2.30385259      5.11764210
  O     -3.69723129      4.91462810      3.07481311
  H    -11.22811144     -0.14063033      3.42758342
  H     -7.74341871      2.13497591      1.99909713
  O     -4.95828940      2.79178810      4.39073197
  H     -5.76257624     -2.65455218     -0.66230872
  H     -7.71894774      0.63830173      2.38737586
  O     -7.93426837      1.24891135      1.66059624
  H     -6.85986711     -1.86938216      0.10299819
  H     -6.93918907      4.22577969      2.37564739
  O     -7.24868812      3.56521672      3.00786208
  H     -4.19039982      0.78169535      2.06657375
  H     -6.45894631      3.28947785      3.49727863
          69
 Energy    -248.83079506479402     
  O     12.77141255      9.73095821    -11.67524647
  H     12.05806291      9.23632584    -11.24938124
  H     14.31943986      8.84973003    -12.16446418
  O     13.40355417      6.72514454    -13.96066982
  H     12.42539565     10.59231198    -11.95496738
  H     13.38564682     14.86906605     -6.95395496
  O     11.70296715     12.14399018    -12.39373007
  H     12.81522347      6.43807973    -13.25188759
  H     13.86275762     14.43573918     -8.36127000
  O     14.32693513     10.56669369     -9.53629521
  H     12.97341371      7.48417120    -14.37903798
  H     10.82544604     12.17224335     -9.40245705
  O     14.31072474      6.72175251    -10.23477259
  H     12.43845350     12.73353206    -12.60096718
  H      9.65743550     11.76314008    -10.35590582
  O     13.31521666     15.91118398    -11.59197260
  H     11.25751869     12.44763080    -11.59269709
  H     11.67348040      9.97904535     -7.88474828
  O      8.80313357     10.24461508    -11.24460410
  H     13.78170406     10.24910400    -10.27097671
  H     12.50071794      8.68044643     -7.85200557
  O     13.96895719     13.56778965    -12.98268608
  H     14.47991853      9.80814081     -8.95845940
  H     14.35363055      7.61383629     -8.76183805
  O     15.00835593     14.61449167     -9.67033906
  H     13.49741266      6.38067365    -10.62517620
  H     14.90893002      7.82816260     -7.33200153
  O     10.70910178      8.34635225    -10.45130429
  H     14.76865200      7.17656182    -10.95300312
  H     16.16438700     11.73638862    -11.82554186
  O     11.36997775     15.08106166     -9.87960397
  H     12.55540847     15.65233535    -11.04040518
  H     15.30928778     11.71930594    -10.53690683
  O     15.06409859      8.30637123    -12.46045717
  H     13.18523727     16.82543269    -11.82889312
  H     12.98166462      9.96016500    -14.79360939
  O     13.12640666     14.37370902     -7.72613707
  H      7.85114907     10.19685679    -11.28104631
  H     12.39164118      9.28722678    -13.56205676
  O     10.21972761     12.49778173    -10.08533644
  H      9.11649680     10.30398394    -12.16572040
  H     10.46870156     11.23889304    -13.39102546
  O     11.60473325      9.01960969     -7.97252256
  H     14.59488781     13.16269882    -12.36479022
  H     10.50655288      9.96720431    -14.22625518
  O     14.35334022      8.22099031     -7.99937622
  H     13.77827180     14.45197595    -12.64503638
  H     14.12698268     12.14437241    -14.33904153
  O     15.72329101     12.30805570    -11.18454596
  H     14.56516233     15.14976165    -10.34075243
  H     15.12642350     10.98817909    -14.32469689
  O     12.34509149      9.28017460    -14.52595360
  H     15.40997618     13.87445330    -10.14204546
  H     16.16758399      9.62257043    -12.89815391
  O      9.90731618     10.51384193    -13.70606025
  H     10.95132588      8.52369749     -9.52817161
  H     17.45763087     10.21411535    -13.51126669
  O     14.29711701     11.27597997    -14.72282830
  H      9.96721638      8.91903510    -10.68105213
  H     11.29391871      5.32431176    -11.47426101
  O     16.61396162     10.45332217    -13.13546495
  H     11.86783047     14.93055349     -9.06579345
  H     11.35491029      6.83858322    -11.18197666
  O     11.84859477      6.09573418    -11.56624454
  H     10.79809666     14.31020983     -9.98003958
  H     12.95537381     11.41844255     -8.67990750
  O     12.17743715     11.78720345     -8.23752796
  H     14.67835128      7.67572835    -13.08769622
  H     12.44826347     12.65505794     -7.91269794
          69
 Energy    -248.83067546928709     
  O     12.07003007      7.44304980    -10.61045208
  H     12.66229469      8.02342026    -10.10571826
  H     15.01364887      7.53048774    -17.02773184
  O     15.61658586      5.40331888    -12.30980233
  H     11.26147658      7.37475891    -10.10763698
  H     19.11882825      7.15354620    -13.44301362
  O     14.42612436     11.35386484    -10.98320001
  H     16.22166641      5.29978015    -11.56622548
  H     19.97853506      7.08584363    -14.72808412
  O     17.05465188     12.04416768    -11.97532463
  H     16.10389186      5.24321666    -13.13314353
  H     16.36755383     10.48663766    -14.63680952
  O     12.06586651      8.85890767    -16.84016581
  H     15.33283874     11.63023954    -11.15743314
  H     15.13834590     11.35640044    -14.18310209
  O     17.33712050      5.56195645    -10.08604562
  H     13.95472806     11.50399311    -11.81251689
  H     16.02634516      8.35801841    -13.36660330
  O     12.76608642      6.96586038    -14.85607933
  H     17.49192992     12.89157571    -11.96715776
  H     15.56422932      7.20452633    -12.42461918
  O     13.38804406     11.40082120    -13.64098750
  H     16.78245454     11.87956994    -12.89404471
  H     12.54640470      5.91887772    -11.87869345
  O     14.84846429     11.26843965    -17.08760953
  H     12.13875671      8.12443964    -16.21734796
  H     13.78834336      5.24185349    -12.47358274
  O     16.90602006      5.30290340    -14.72686313
  H     12.81766791      8.77052679    -17.43920289
  H     17.49621207     10.36425683    -11.26987029
  O     16.85792272      8.78285336    -14.90659133
  H     16.92663920      6.33114360     -9.65227712
  H     16.76667441      9.01745381    -11.49137377
  O     15.19204016      7.02195543    -16.22669821
  H     17.58426638      4.95520659     -9.39326831
  H     18.58128233      6.55126327    -11.18879710
  O     19.08104106      7.16222773    -14.41658991
  H     12.70234518      6.21947033    -14.24471031
  H     18.66127742      8.06428105    -11.45038274
  O     16.06666584     11.39124123    -14.46042381
  H     12.80390806      7.73508597    -14.26980035
  H     15.39008974      8.21281364     -9.11785773
  O     15.57082372      8.16559363    -12.53569687
  H     12.89435558     11.57654930    -14.45046528
  H     16.82634004      8.49769629     -9.55886871
  O     12.83409353      5.34925909    -12.59919073
  H     13.15014297     10.49691086    -13.37694901
  H     14.74087034      8.89410157    -19.20614162
  O     17.49714480      9.43761495    -11.00811408
  H     13.94323250     11.48436082    -16.82820608
  H     14.74311688      9.70463786    -17.88824378
  O     19.03692214      7.21441612    -11.71978197
  H     15.39244363     11.43653846    -16.31011587
  H     14.00009708      9.98254155     -9.94963126
  O     16.28618302      7.86436865     -9.06426005
  H     17.71403243      5.82820146    -14.68418452
  H     13.58874773      9.69127977     -8.49491549
  O     14.55375623      8.83058541    -18.27346267
  H     16.32951779      5.75468266    -15.35720297
  H     12.03529734     10.54587182    -16.37192947
  O     13.76030796      9.26802634     -9.33351771
  H     16.28408706      8.20165776    -15.42709540
  H     11.39868582     11.94572864    -16.53872476
  O     12.14922503     11.49134655    -16.16584814
  H     17.70162483      8.32535262    -14.79616768
  H     12.46887481      8.41960595    -12.14589469
  O     12.96044108      8.86232891    -12.84661689
  H     14.35030476      6.93388933    -15.75602931
  H     13.89768424      8.65699267    -12.69239058
          69
 Energy    -248.83055625502908     
  O     11.32628445      9.93385039    -12.35238534
  H     11.71349667     10.58525940    -11.75847091
  H     19.10591788     11.76768098    -13.86112879
  O     16.69163881      8.04969439    -14.81267246
  H     11.61038241     10.18787366    -13.24293181
  H     14.30436542     13.02985995    -13.61531362
  O     17.60045109     10.12509211    -10.94945037
  H     16.28139961      7.31074552    -14.34219985
  H     12.96861118     12.34216694    -13.95100369
  O     16.09818730     12.58142877    -14.09111921
  H     17.48530559      8.29914159    -14.31869379
  H     15.48622198     10.88992444    -13.82258103
  O     13.19248059      8.86499420    -16.71062113
  H     16.63513902     10.11218411    -10.87557594
  H     15.61221207      9.34499678    -14.07308909
  O     16.44463875      6.17712155     -9.71415820
  H     17.93784586      9.46911772    -10.32566616
  H     11.53652257      8.22778944    -12.25657199
  O     15.51850169      6.12120176    -13.26213468
  H     16.82656472     12.65024098    -13.46030450
  H     10.90324574      6.82619373    -12.08833043
  O     14.83371124     10.01922186    -10.95443553
  H     16.47860587     12.40714153    -14.96192912
  H     19.33524308      7.38871553    -12.35113355
  O     17.23992867     11.71197338    -16.51533942
  H     13.18150149      8.12338200    -16.08457891
  H     19.25204023      7.09563625    -10.84635253
  O     17.55428372      4.71504072    -11.92891473
  H     14.11727825      9.03276673    -16.91188507
  H     12.60268590      7.02082893    -13.97073801
  O     16.13518201      9.24369655    -17.17463649
  H     15.60387661      6.51210974    -10.05477546
  H     13.96722647      6.45620505    -14.36580572
  O     19.37712031     11.21804541    -14.60745888
  H     16.76371950      5.54669776    -10.37123304
  H     18.62188143     13.11097961    -11.67598582
  O     13.37609412     12.98641546    -13.35444804
  H     16.18949309      5.53045874    -12.89929913
  H     18.05142971     11.67596963    -11.73162553
  O     15.09014495     10.02732710    -13.63665305
  H     15.09513450      6.55045730    -12.50471792
  H     18.32271063      9.30384958    -12.47783960
  O     11.73046759      7.27309118    -12.24630489
  H     14.16402827     10.68303315    -10.75225493
  H     19.12246195      9.64645350    -13.76624595
  O     19.41744656      6.67829080    -11.70026797
  H     14.88180975      9.97759799    -11.92493614
  H     17.67655296      7.36040194     -9.40336205
  O     13.18287577      6.88341759    -14.72874898
  H     16.82742331     10.87412784    -16.77921653
  H     18.75061884      7.92360098     -8.44272249
  O     18.24094920     12.46519958    -12.26597715
  H     17.33523134     12.22996840    -17.31172524
  H     14.42252378      8.23813049    -10.91637003
  O     18.76560941      8.91427576    -13.24355269
  H     18.27594310      5.36884255    -11.90214579
  H     13.34526276      7.21575844    -11.36704660
  O     18.41484940      7.99306963     -9.33234399
  H     17.96198438      3.85568549    -11.99081296
  H     12.40085190     12.61455933    -10.33803238
  O     14.25282307      7.29496659    -11.04534794
  H     16.30401482      8.66940380    -17.91838513
  H     13.00886528     12.40008604    -11.74356290
  O     12.80597397     11.95877635    -10.89887705
  H     16.35053699      8.73208527    -16.37465012
  H     12.58565637     10.14520789    -15.53070942
  O     12.59648256     10.65785067    -14.71213338
  H     18.74202635     11.38933107    -15.31276852
  H     13.42316059     10.38894729    -14.28321109
          69
 Energy    -248.83050444144649     
  O     16.04853352     11.50401102    -12.80499337
  H     16.32369520     11.15613258    -11.94116860
  H     13.77599824      6.84344900    -14.66134150
  O     16.04302732      9.36895796     -6.77992554
  H     16.61649451     12.24969412    -12.98495291
  H     12.69025405     11.80479752    -10.91530304
  O     16.06475172      5.60310083    -10.32209185
  H     15.71451566      8.47883457     -6.60666843
  H     11.68646386     11.44453657     -9.80411574
  O     12.54253379      5.05086102    -11.12563734
  H     15.38405487      9.80937451     -7.33435550
  H     16.14138101      9.80994275    -14.08479101
  O     17.64579946      6.43276721     -8.15531640
  H     15.78049501      5.16689850    -11.13559237
  H     16.40929136      8.47091812    -13.42238704
  O     15.47946006      6.54786983     -6.51401582
  H     15.27403831      5.70642600     -9.77175461
  H     17.52344155      9.33856837     -7.69589786
  O     16.63653802     10.37736045    -10.30858110
  H     12.88295266      5.23038337    -10.24122450
  H     19.04549629      9.57518799     -7.85719099
  O      9.81467451      8.99299539    -11.88572535
  H     13.31092580      4.86071687    -11.67811788
  H     14.26987492      6.07745303     -7.88193225
  O     14.34414133     10.41140676     -8.75872199
  H     17.27401649      6.07767027     -8.97460086
  H     13.33179613      6.79629201     -8.87944716
  O     13.52857624      8.40609395    -11.93768863
  H     17.96242375      7.32264454     -8.34856186
  H     14.18580236     11.36826455    -12.74946087
  O     10.45991472      6.25557599    -12.36451444
  H     16.29843814      6.45443330     -7.03409266
  H     13.36524625     10.14981547    -12.28533802
  O     14.69311512      6.55030619    -14.58351199
  H     15.62000088      6.08010964     -5.69470067
  H     11.75266730      8.42602623    -14.35644857
  O     12.46030310     11.98955550     -9.99546997
  H     17.33252708     10.09770773     -9.70036523
  H     11.46448829      7.03552302    -13.71893661
  O     16.23348746      8.87535011    -14.28639500
  H     15.82345579     10.44505559     -9.78506150
  H     10.85368149     10.85142681    -14.74036789
  O     18.27030781      9.26663792     -8.31935852
  H      9.99680073      8.05109318    -11.99492289
  H     11.90662662     10.63413566    -13.62882165
  O     13.80549334      5.96493528     -8.72022817
  H     10.17928167      9.43618370    -12.66078576
  H     10.11133188      9.70324626    -10.34196472
  O     13.28399798     11.07167370    -12.57725062
  H     13.82422137      9.60771658     -8.89342028
  H      9.59427238     10.16904029     -8.95878628
  O     12.10488354      7.53435401    -14.24387220
  H     13.77670963     11.12970876     -9.07172719
  H     15.09813398      3.80872400    -13.14129770
  O     11.16804266     10.21565503    -14.10269337
  H     14.47338604      8.20080690    -11.93078996
  H     14.87606486      5.31868806    -13.37480191
  O     10.38671883     10.05556793     -9.47641253
  H     13.14278146      8.00026399    -12.72193280
  H     11.79458074      8.85014433     -9.30049735
  O     14.90639664      4.62682691    -12.68997558
  H      9.78095873      5.59401711    -12.46997481
  H     12.85138666      8.31092897    -10.31062238
  O     12.59884211      8.32283073     -9.37335077
  H     11.18475976      5.83144275    -11.87129847
  H     16.29882474      7.18484378    -11.14811738
  O     16.26020792      7.98782845    -11.68162581
  H     15.23719752      7.34811274    -14.63573435
  H     16.46083018      8.74778376    -11.12102109
          69
 Energy    -248.83045497264578     
  O     17.49176460      7.01923805    -13.38255926
  H     18.02903298      7.14129011    -14.17549671
  H     14.50488597      8.36222140    -16.32624594
  O     13.77974919      8.98749004    -11.87576141
  H     16.76115376      6.41059414    -13.56182091
  H     14.36087986     11.73342628    -14.66037697
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  H     14.43255966      9.01507971    -12.59253958
  H     13.35744899     12.33939201    -15.66317905
  O     11.91283702      9.74320659    -13.81313630
  H     14.29460960      9.03396917    -11.06084027
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  O     15.22156708      5.43150574    -13.55361667
  H     19.95091939      7.59370598    -15.80664019
  H     14.44904942      6.58863753     -7.46105703
  O     18.00651305      7.90799211    -10.84284728
  H     19.37966625      8.68648677    -14.86806223
  H     17.58882893      6.34939128     -9.94725006
  O     19.26151331     10.42436950    -11.12450111
  H     12.43914049      9.59570233    -13.01458947
  H     16.44038369      5.93365142     -9.01293313
  O     15.62114012      8.99520141     -9.81851282
  H     12.39568496     10.40266560    -14.32416560
  H     16.63981379     12.08863202    -14.15104685
  O     11.36812875      7.21005633    -14.61613312
  H     14.42138229      5.80805673    -13.15955333
  H     15.90117271     10.85826049    -13.58909231
  O     17.58634092      9.92868367    -16.83383359
  H     15.52874996      4.77497168    -12.91414130
  H     16.49037456      4.44717008    -10.73486601
  O     13.91927810      6.77135032    -15.81352020
  H     18.56117248      8.69391627    -10.90239095
  H     16.36894873      2.98439955    -11.21935488
  O     14.93758021      9.22486114    -16.42882104
  H     17.89004686      7.56798668    -11.74295617
  H     16.42214994      8.44856850    -13.58934269
  O     13.62249071     11.51928819    -15.25320646
  H     18.39066467     10.85115578    -11.03080088
  H     15.51354581      9.06805102    -14.69315926
  O     14.80746534      6.73541238     -8.33229717
  H     19.84673275     10.85351039    -10.50595741
  H     19.16697713     10.87040147    -14.30407867
  O     17.14591581      5.57865589     -9.56678182
  H     15.29225628      8.33103219     -9.19969496
  H     19.54991431     10.21943187    -12.95482280
  O     15.87696052     11.82947428    -13.61765874
  H     16.43150033      8.62071766    -10.19415120
  H     17.90307335     11.36899582    -15.91959244
  O     16.01201808      3.85932644    -11.34688278
  H     11.49111273      8.14709433    -14.37818681
  H     18.51615904     12.78793492    -15.83339431
  O     15.75669735      9.12463415    -13.76011432
  H     10.46839944      7.11517891    -14.91556236
  H     13.16516527      7.32656484    -12.11457610
  O     19.61653098     10.11237715    -13.91126583
  H     18.08019405      9.17323347    -16.49457042
  H     12.23776729      6.55323219    -13.08259747
  O     18.10487996     12.10438054    -15.31138393
  H     16.65492066      9.66583497    -16.83342162
  H     16.21032912     10.74683349    -10.47472847
  O     12.87863149      6.43719839    -12.37200318
  H     13.01881458      6.83321869    -15.46957898
  H     16.32932976     11.67952354    -11.71792560
  O     16.75642071     11.42509342    -10.89146388
  H     14.40765110      6.20871588    -15.20235851
  H     14.37770498      4.48793752    -10.49614858
  O     13.67339008      5.02391766    -10.11286943
  H     14.32097258      9.92501786    -16.18724043
  H     13.24751533      5.46361059    -10.86198794
          69
 Energy    -248.83023757068310     
  O     -1.58810874      4.55944806      4.10727292
  H     -0.99125506      4.01095275      4.63332057
  H     -2.83718378     -3.59496828      2.72465769
  O      0.96598398      1.69818550      0.98461945
  H     -1.43757838      4.30965846      3.18685023
  H     -3.11918711      4.45191768      4.90371006
  O     -1.38093649     -0.46724690      3.22810159
  H      1.66412199      1.81218876      0.34466602
  H     -4.11155012      5.02273109      5.94653298
  O     -4.91620606      0.48541115      0.63287255
  H      0.49699540      0.88107936      0.74511945
  H     -3.89279274      3.24932718     -0.22907109
  O     -3.16026701     -2.45967925     -1.33698863
  H     -1.96937125      0.29443704      3.10824205
  H     -2.37879199      3.33842800      0.01926001
  O     -0.56721406     -0.55112797      0.60009082
  H     -1.94934480     -1.19184047      3.51429679
  H     -5.02033716      3.38679693      4.20180473
  O     -3.95137311     -0.63185483      6.18367120
  H     -5.28382875      1.37481292      0.55645100
  H     -5.69959153      2.00556083      3.86452404
  O     -5.98740077      0.33453915      4.39790902
  H     -4.22570887      0.38965947     -0.03853522
  H     -1.89008590      2.70509400      1.91179408
  O     -0.08235986      2.72833178      5.67146394
  H     -3.15411628     -1.49460418     -1.37248221
  H     -0.45300269      2.89839943      1.36009812
  O     -2.72812852      0.34381410     -1.00963749
  H     -3.92228552     -2.73020396     -0.81081665
  H     -5.56075882      3.16221196      1.74303992
  O     -5.52376334     -1.56412068      2.31413344
  H     -0.85992060     -0.56068232      1.52415736
  H     -6.38008251      3.71778960      0.55672589
  O     -2.77999518     -4.15081180      1.93597828
  H     -0.52814941     -1.47501041      0.32319281
  H     -4.10532588     -2.00534843      3.38739741
  O     -3.93828408      4.26270998      5.39803176
  H     -3.46535411      0.21204036      6.18683781
  H     -3.51824571     -1.81622264      4.80311574
  O     -3.03708795      3.06795261     -0.63448995
  H     -4.10579883     -0.85989006      7.09685332
  H      1.07431522      1.33317748      2.88969040
  O     -5.38662359      2.84553761      3.49169487
  H     -6.00705911     -0.34940062      3.71655709
  H      0.15632139      0.40323489      3.70069908
  O     -1.27157689      3.36655269      1.56326972
  H     -5.37649636      0.01074329      5.07069711
  H     -1.79670706      2.01422865      6.05199670
  O     -5.60628972      3.20337763      0.77219043
  H      0.59076204      2.89383395      6.32608623
  H     -3.21943293      2.59249607      6.01836574
  O     -3.35853946     -2.24952147      3.95489719
  H      0.31361206      2.13612036      5.00789689
  H     -4.25434545     -3.93934432      1.01139737
  O      0.87028246      1.05184951      3.78832262
  H     -1.95452478      0.10143690     -0.48330715
  H     -5.50759612     -4.47390439      0.27772229
  O     -2.72402043      1.78170240      6.18186551
  H     -2.76881311      1.31231911     -1.03068015
  H     -0.40539819     -3.88710567     -0.57261653
  O     -5.04298952     -3.67260335      0.50478147
  H     -5.35421475     -0.81681935      1.71932482
  H     -1.68896719     -3.02061781     -0.59911737
  O     -0.89435371     -3.23606036     -0.07635635
  H     -5.54398036     -2.34037840      1.74187610
  H     -3.76013945      1.99647382      3.05921800
  O     -3.10362974      1.52066352      2.53775765
  H     -2.02590165     -3.84444500      1.41917788
  H     -3.60705377      1.09490791      1.83223270
          69
 Energy    -248.83017195748539     
  O     16.13701286     12.05923697    -11.99497659
  H     15.54735866     11.90285926    -12.74326722
  H     12.55419085      7.70894105    -12.62572204
  O     17.27400359      8.29287347     -7.41443720
  H     15.57146710     12.30945168    -11.25567654
  H     14.82143831     11.51225650     -9.24254846
  O     15.53967524      5.34612107    -11.36291263
  H     17.95099796      8.23979366     -8.10162933
  H     14.38786509     12.97348884     -8.99468121
  O     12.00117844      5.01198104    -10.23746961
  H     17.01011374      7.38061649     -7.24669221
  H     14.21560983      9.66825607    -14.62340681
  O     17.90731115      5.44396044     -9.78124095
  H     15.13183376      5.49094500    -10.49546400
  H     14.91552163      8.36989736    -14.20373199
  O     16.69498376      5.46447216     -7.35268537
  H     14.83242954      5.02722099    -11.93616043
  H     18.38927091      8.71684938    -10.27420830
  O     17.18660997      9.67754711    -11.12941882
  H     12.34181448      4.82634256    -11.11982102
  H     19.84812000      8.37854763     -9.89575109
  O     10.87896589      9.09255110     -8.75372122
  H     12.77452812      5.13154900     -9.66979853
  H     15.05495492      5.53753558     -8.23985210
  O     15.65742735     10.01368216     -8.78605439
  H     18.29628469      6.32104737     -9.89058739
  H     14.02612886      6.60434144     -8.70210458
  O     13.37325356      8.65011506    -11.34916916
  H     17.22968346      5.34499631    -10.46226766
  H     11.71365161     11.22941639    -11.39558723
  O      9.90106292      6.66618414     -9.88855688
  H     17.04453091      4.80546452     -6.75911537
  H     13.11738500     11.72690335    -10.87731134
  O     12.27604564      7.31085328    -13.46637560
  H     17.18902806      5.38153224     -8.18898903
  H     10.57819138      7.90534080    -12.82216927
  O     14.37881202     12.27767266     -9.64720089
  H     16.97418212     10.55154703    -11.48450326
  H      9.84228336      7.64512910    -11.48856730
  O     14.24553128      8.72165330    -14.80568412
  H     16.74796921      9.02392037    -11.69444174
  H      9.95940209      9.83494523    -11.52557156
  O     18.94346034      8.11215374     -9.75210820
  H     10.58974176      9.73387822     -9.41158353
  H      9.18362827     11.09865751    -11.08128548
  O     14.33440995      5.69853261     -8.85988915
  H     10.51188104      8.24642668     -9.04554520
  H     12.97048350      4.15520314    -13.53958624
  O     12.64552706     11.34080528    -11.62745408
  H     16.11540470      9.88479494     -9.62855471
  H     12.83208614      5.64170040    -13.14184945
  O      9.89586513      8.25545006    -12.23659345
  H     16.16909196      9.50537309     -8.13895492
  H     13.49324965     11.46649387    -13.19223685
  O     10.03614971     10.67455821    -11.03552621
  H     13.35488929      8.43725907    -10.40878173
  H     13.75801994     12.16407373    -14.54543347
  O     13.16653092      4.77874518    -12.84479567
  H     13.12496501      9.57733904    -11.44500751
  H     12.59462828      8.66203240     -8.50451457
  O     14.09601365     11.49475008    -13.95424740
  H     10.65331249      6.05778599     -9.99969513
  H     14.15268719      8.95906838     -8.56168552
  O     13.47583151      8.27157522     -8.60335029
  H      9.18189952      6.14609325     -9.53948592
  H     14.90346652      8.19312357    -12.14141166
  O     15.72517422      7.85816829    -12.53466036
  H     12.82738584      7.74721978    -14.13159119
  H     15.80519212      6.95074994    -12.21455464
          69
 Energy    -248.83006555025725     
  O     14.18668396      7.61233721     -9.59195682
  H     14.02108367      6.71653149     -9.90965667
  H     13.36442434      8.22450879    -16.03916989
  O     15.86550308      5.28865326    -15.86171828
  H     13.85946521      8.19924859    -10.28923937
  H     17.54687048      7.54471121    -18.13817650
  O     17.67072791     10.35082163    -10.86444710
  H     16.24017419      5.94334889    -16.46388149
  H     17.77582907      7.52256759    -16.60595425
  O     17.89270854      9.58236669    -13.49171687
  H     16.53163561      5.15789189    -15.17710771
  H     17.27045488     11.30454441    -14.01957424
  O     10.65916306     11.01700781    -13.61927311
  H     17.34726344      9.56648870    -10.40532184
  H     16.52792970     12.34834693    -13.17944892
  O     16.54980766      5.98661959    -11.65718738
  H     16.93276334     10.96963909    -10.92538807
  H     15.88248959      7.28590314    -12.82995907
  O     11.35295310      8.24368633    -13.46239509
  H     17.05731483      9.09471903    -13.47817851
  H     14.83272005      8.42068173    -12.78095277
  O     15.62138669     12.33623890    -11.40633177
  H     18.02561045      9.86948711    -12.57652631
  H     13.42325724      5.26759865    -11.64081109
  O     14.46158162     11.35734878    -15.32881529
  H     10.98811757     10.96544385    -14.53613513
  H     13.70186942      4.25448806    -10.50678273
  O     13.15701586      5.17001590    -15.66186488
  H      9.82911312     11.48486023    -13.64989902
  H     18.52123990      4.44146425    -13.67108419
  O     15.06022271      8.72466686    -15.91595039
  H     15.71116245      5.58298950    -11.39380148
  H     17.49889462      5.40653588    -13.03072138
  O     12.45027053      7.90182242    -16.00896019
  H     16.79918012      6.60918934    -10.96131747
  H     11.89219339      6.47044342    -13.03526293
  O     17.10157032      7.42746200    -17.30416671
  H     11.70993974      8.14793384    -14.35864056
  H     12.67272987      5.43298238    -13.86758067
  O     16.77422043     12.13173391    -14.08550580
  H     10.94506935      9.11685303    -13.42555556
  H     18.63088852      8.32736335    -14.61728218
  O     15.54825584      8.04851425    -13.31389114
  H     14.76383091     12.16656617    -11.82679771
  H     18.60725084      6.77915633    -14.69221902
  O     14.02055969      5.06313899    -10.89849286
  H     15.52386747     13.15123288    -10.91823738
  H     11.90228207      9.76880570    -16.24027896
  O     17.93268296      5.16682982    -13.86617768
  H     15.28490723     11.76629984    -15.02277785
  H     12.69678791     11.06390727    -15.95390870
  O     12.40531946      5.65638349    -12.96705496
  H     14.70112438     10.45880475    -15.59716645
  H     17.24030981      7.78101639     -8.72138981
  O     18.78450557      7.57532237    -15.20691756
  H     14.12798754      5.21092788    -15.72031883
  H     15.90351687      7.84699367     -9.50079241
  O     11.80167459     10.71006215    -16.05221352
  H     12.88800416      4.40050402    -16.15721260
  H     12.36418041     11.58845869    -12.94688144
  O     16.87243390      7.88561928     -9.59542702
  H     15.24456383      8.39644680    -15.02197230
  H     13.72072893     11.56325730    -13.69134010
  O     13.31683941     11.66092880    -12.81466627
  H     15.74208446      8.36841889    -16.49670972
  H     13.46322687     10.00311114    -12.05561496
  O     13.44366900      9.06363265    -11.83584919
  H     12.53089058      6.94080040    -16.01861699
  H     12.70755332      8.68778456    -12.33813859
          69
 Energy    -248.82962039841647     
  O     18.35948655     11.50360578     -9.40702545
  H     17.83921488     11.00614574     -8.75589515
  H     17.12749269      9.80186243    -11.96631054
  O     16.85919908      6.12464560     -9.57697312
  H     18.14271563     12.42509294     -9.28447455
  H     20.98919632      9.68158964     -9.08706524
  O     19.16035532      3.54182427    -11.64078484
  H     17.16244707      5.73336236     -8.75015861
  H     20.19601923     10.92903547     -9.51633467
  O     20.26402920      5.95090574    -12.55235669
  H     17.60748984      6.62747286     -9.93750431
  H     19.60506525      7.22246851    -15.80320848
  O     20.59054793      8.00320070     -8.48227221
  H     19.42129252      2.63492547    -11.77618249
  H     19.64439096      8.04510857    -14.48907668
  O     16.61707590      4.77866385    -11.96520572
  H     19.42437436      3.77674130    -10.73188740
  H     20.78921535      4.77833705     -9.05587315
  O     22.58805780      6.91810102    -11.37934885
  H     19.89808732      5.07523651    -12.37649515
  H     19.37103636      4.58764551     -8.46556112
  O     18.47779103      7.87645965     -6.71384751
  H     19.97581776      6.24246052    -13.42652433
  H     16.01306731      8.32019419    -12.80743839
  O     22.34177914      5.85443984     -8.92012602
  H     21.25639276      7.30611748     -8.49152494
  H     14.59957907      8.82043247    -12.45041093
  O     18.95478566      7.56729873    -10.66415122
  H     20.01625728      7.84353208     -9.24853621
  H     16.85100115      6.21239000    -13.11527409
  O     16.78433244     10.02442615     -7.67457481
  H     16.56283899      5.20713245    -11.09800668
  H     17.64084471      7.03088791    -14.18405318
  O     18.05841282      9.99219918    -11.78158694
  H     17.41181543      4.23429896    -11.93238316
  H     23.04028317     10.29955375    -12.03081126
  O     21.05783208     10.50564028     -9.59065750
  H     21.84958784      6.53510308    -11.87390463
  H     21.86470782     10.04297544    -11.06189821
  O     19.36934939      7.19415059    -14.88055479
  H     22.55684371      7.86764733    -11.54570238
  H     15.85297936      7.64534930     -9.46277552
  O     19.96229481      4.29398707     -9.16876749
  H     19.29273545      7.98876895     -7.22610125
  H     15.44587643      8.75200392    -10.44924788
  O     15.53868024      8.99798320    -12.30159454
  H     17.89935321      8.59966949     -6.97722935
  H     12.12508606      8.01714302    -13.09682544
  O     16.80451406      6.97566094    -13.71053661
  H     22.50371884      6.21884146     -9.81019999
  H     13.35045106      7.09583090    -12.99640120
  O     22.30250908      9.71715093    -11.86823140
  H     23.18859923      5.59231797     -8.57026534
  H     19.34871132      9.74907786    -13.05189867
  O     15.52709820      8.55448523     -9.50848727
  H     19.41367531      7.04567100    -11.33520463
  H     20.87734402      9.54255244    -13.09140863
  O     13.01781647      7.97855395    -12.76467065
  H     18.65636629      8.38871016    -11.07477359
  H     18.21921599      6.17647237     -6.96153870
  O     20.07454161      9.45121443    -13.61816296
  H     16.14763554     10.31648067     -7.02739067
  H     17.79104339      4.78649171     -6.43354738
  O     18.09332680      5.24379680     -7.21339995
  H     16.29149251      9.50378603     -8.33736583
  H     14.80254958      5.09136153    -12.91033980
  O     14.31515722      5.64286654    -13.53307891
  H     18.10152369     10.58274715    -11.02084308
  H     15.01439021      6.16169639    -13.95301422
          69
 Energy    -248.82921437761127     
  O     11.80428531      4.32912373    -13.34450904
  H     12.60251020      4.23262829    -13.87687107
  H     15.15161597     10.50599133    -11.74865065
  O     15.48425888     10.90093012    -14.68502516
  H     11.32117556      5.09589190    -13.68623028
  H     16.83486704      7.22176638    -11.39672560
  O     17.83916212      8.12056846    -12.58212877
  H     15.81119688     11.79797757    -14.70675006
  H     16.16553489      7.34073740     -9.99665689
  O     15.98070409      8.69092216     -8.74048990
  H     15.01852407     10.81176584    -13.84148094
  H     14.78035960      7.35932766    -11.75210535
  O     11.60532590     10.09451293    -13.14977545
  H     18.51274346      7.44092665    -12.71412437
  H     13.23672173      7.47671006    -11.68524219
  O     16.90617080      3.72166640    -15.60764925
  H     17.38576430      8.22911253    -13.43047720
  H     10.18115084      7.15263152    -13.37043446
  O     12.03971231      8.62323103    -15.54354361
  H     16.15036511      8.78674888     -7.80750980
  H     10.91373854      7.27657449    -14.71277993
  O     15.17792952      4.38639195    -11.65714165
  H     15.05465790      8.95405678     -8.88789600
  H     20.32662723      5.61088565    -12.88152633
  O     13.45254600      9.41118801     -9.42469397
  H     11.77447511      9.68850091    -14.01113667
  H     18.85388352      5.13997090    -12.93753211
  O     18.15205585      6.13418759    -15.66859879
  H     12.45611301     10.40668400    -12.82283063
  H     14.20542681      6.04117421    -14.86677587
  O     16.77265020     10.26579442    -11.03193304
  H     17.19336155      3.17976223    -16.33735439
  H     14.03368878      7.24842610    -13.92423510
  O     14.27904202     10.38984799    -12.15701407
  H     17.33113496      4.59133322    -15.71731654
  H     16.26320613      9.28562324    -15.03610800
  O     16.20485634      6.79900163    -10.79480286
  H     12.08418762      8.93359026    -16.44434047
  H     15.70997188      7.84340768    -15.05282051
  O     14.00372761      7.65891904    -12.24270977
  H     12.81243129      8.04879736    -15.40835072
  H     16.88351048      3.86237154    -12.35435086
  O     10.48939966      6.63970894    -14.12683398
  H     15.57935141      5.18764569    -11.28867834
  H     17.45286027      3.62620337    -13.76811440
  O     19.44543226      5.89465573    -13.10904052
  H     14.30032595      4.32206718    -11.26318286
  H     10.50200101      9.04082511    -12.30083283
  O     14.12291208      7.00282222    -14.85990638
  H     12.89265243      8.65218838     -9.64146970
  H      9.11396281      8.76557650    -11.67265333
  O     16.53040103      8.35662668    -15.03709138
  H     13.54221344      9.92028384    -10.23635760
  H     15.21950084      4.01285930    -14.89609944
  O     17.70655050      3.81635934    -12.85596447
  H     18.72407640      6.10560795    -14.89183518
  H     14.71987504      4.34294669    -13.46613298
  O      9.94636650      8.35409851    -11.88907015
  H     17.64833235      6.95553960    -15.59592055
  H     12.04704713      3.69920402    -10.28757643
  O     14.44864057      4.30609139    -14.39511177
  H     16.64607762      9.83412763    -10.17840427
  H     12.15034605      4.36630443    -11.68172159
  O     12.43698433      4.43585926    -10.75089610
  H     17.27479554      9.63945199    -11.57036380
  H     12.05480187      6.23465168    -10.43048714
  O     11.99603164      7.19825400    -10.39666804
  H     14.16168916      9.43090298    -12.25309156
  H     11.18676057      7.48039339    -10.84483649
          69
 Energy    -248.82913654763900     
  O     14.93799244     10.59596476    -10.54989063
  H     15.84334032     10.42329471    -10.26496676
  H     17.92123565      4.97074806    -16.77778850
  O     14.22305195      7.21268693    -14.67913640
  H     15.00732654     10.86678991    -11.47590573
  H     19.37938222      9.30836607    -12.72714022
  O     16.52411780      4.86659216    -11.80749488
  H     14.91973200      7.62603799    -14.14442517
  H     18.70328705     10.67144627    -13.02035108
  O     20.08609388      7.74766075    -13.56679121
  H     14.45803378      6.27784919    -14.70605651
  H     16.35067075      7.97941506    -12.39930499
  O     14.12072282      9.89641539    -15.55257148
  H     15.92506751      4.29147283    -11.31564686
  H     16.02887402      9.28236202    -13.18722087
  O     12.80320017      5.56226237     -9.92690896
  H     16.50177325      5.72503707    -11.35882505
  H     13.55021365      3.41609488    -12.16654142
  O     12.17907451      7.82405545    -12.92395465
  H     21.02983676      7.61008883    -13.58059729
  H     13.79338893      3.88931578    -13.60979008
  O     16.32363623      7.36204309    -10.69045933
  H     19.68355409      6.88288565    -13.36971741
  H     11.79331695      9.46288223    -13.67011356
  O     16.83067474     10.31099312    -16.38426349
  H     14.13846609      8.93387871    -15.46360858
  H     11.44909461     10.95426589    -13.54004657
  O     11.11434444      5.31910105    -12.24109136
  H     13.24775910     10.16275155    -15.22779764
  H     18.55222068      5.11153404    -14.17406696
  O     17.95389142      7.90737845    -15.39373048
  H     12.10941698      5.48832057    -10.59389451
  H     18.16217711      5.08140106    -12.68720603
  O     17.62782251      5.21258017    -15.90303331
  H     13.10368338      6.47984135     -9.96527790
  H     16.05793141      4.72961466    -14.98171443
  O     19.01110357     10.09654529    -12.30957692
  H     12.85254581      7.56948312    -13.57258920
  H     15.73586503      4.77380496    -13.47164925
  O     16.26022260      8.34979716    -13.28473250
  H     11.68800879      7.02074273    -12.71128451
  H     13.90641814      4.23880683    -10.19893465
  O     13.09816667      3.62357314    -12.99423821
  H     16.83582029      8.09400448    -10.32424038
  H     14.43843820      2.84873726     -9.77493975
  O     11.77200053     10.30169374    -14.15716420
  H     15.38531008      7.58222349    -10.58484674
  H     17.57693605     11.29434829    -15.14925377
  O     18.87868416      5.31847984    -13.29048667
  H     15.87701634     10.20717508    -16.26874181
  H     18.22850776     12.61217487    -14.66602792
  O     15.33288307      4.67834539    -14.34787093
  H     17.22519380      9.44112401    -16.23710428
  H     13.15934391      8.11558803    -11.37445732
  O     14.46788203      3.49238617    -10.47746007
  H     11.78104128      4.69741113    -12.58499395
  H     13.99768569      9.06981828    -10.47186275
  O     17.89717018     11.77111122    -14.36245178
  H     10.26460684      4.90249716    -12.35619321
  H     18.15126405      9.89581491    -10.81034950
  O     13.67839151      8.15923647    -10.56041681
  H     17.32706907      8.04295480    -14.66437888
  H     18.19509444     10.01389607     -9.26924342
  O     17.64408061      9.73344768     -9.99506283
  H     18.82314682      7.93952578    -14.97535595
  H     16.22071521     11.43036514    -13.59364075
  O     15.40784553     11.01395823    -13.27960906
  H     17.70021767      6.17976555    -15.84007993
  H     14.90305250     10.74442362    -14.05890991
          69
 Energy    -248.82909784876898     
  O     11.89789946      4.01505529    -11.97149382
  H     11.33707466      4.62292112    -12.47216753
  H     11.66349490     11.85250477    -10.95812039
  O     13.99750941      9.81456287    -15.67928500
  H     12.63460614      3.75934916    -12.54021439
  H     13.48615451     10.75898626    -12.49036701
  O     17.73354248      8.12216136    -13.19990809
  H     14.07850479     10.09957028    -14.75256292
  H     14.26903725      9.44040085    -12.65904154
  O     16.47656251      9.70719668     -9.45018875
  H     13.96103667     10.60780032    -16.20786837
  H     17.21990746      7.50187740    -11.55625774
  O     11.05613966      8.50605538    -12.02440228
  H     18.42543289      7.46394965    -13.34584931
  H     16.76376703      7.98089689    -10.14477400
  O     16.63626474      3.07193891    -14.82652688
  H     17.11022746      8.03403595    -13.93481130
  H     13.70637224      7.72835286    -11.21843985
  O     11.97576426      7.94714794    -14.67630939
  H     17.03692619     10.17840422     -8.83872658
  H     15.22262000      7.61623464    -11.51902443
  O     15.67392529      4.65810024    -10.85929431
  H     16.63451787     10.09228772    -10.33149742
  H     10.68092118      6.42063729    -14.03049733
  O     13.60656000      9.98871390     -9.25486506
  H     11.26899378      9.41708263    -11.79055881
  H     10.25565497      6.71641668    -12.61141323
  O     17.57784265      5.45071736    -15.75908449
  H     11.38953026      8.37404171    -12.92425315
  H     18.93981244      5.22016356    -13.10535912
  O     16.84351778     10.53487807    -12.00678904
  H     16.83116719      2.37754027    -15.45007382
  H     20.33857486      5.74392035    -13.51142767
  O     12.12811425     11.07228447    -11.24795152
  H     16.92142517      3.90731646    -15.23757232
  H     14.11256608      5.28727072    -13.86863811
  O     14.19246058     10.34533795    -13.00118083
  H     12.63213572      7.24536353    -14.54218742
  H     14.12075089      6.72671061    -13.27630909
  O     16.79486727      7.21575168    -10.73388445
  H     12.44901375      8.63065316    -15.16038754
  H     15.29209330      7.10612187    -14.94422689
  O     14.36633742      7.81094041    -11.91818362
  H     16.08896094      5.52397224    -10.73709140
  H     15.41227678      8.47730941    -15.62410475
  O     10.33927996      5.98956366    -13.23972342
  H     14.85459227      4.67280677    -10.34936917
  H     17.54792936      3.49637721    -13.19199353
  O     19.40592541      5.92428536    -13.59129120
  H     13.23911557      9.09303568     -9.26962439
  H     17.26136018      4.06999841    -11.78876615
  O     14.02173828      6.21878982    -14.09743361
  H     14.56546774      9.89283100     -9.26874836
  H     14.89402078      3.95607622    -12.39325837
  O     15.93524001      7.72724006    -15.32214520
  H     17.04191481      6.25293323    -15.79448456
  H     15.11557220      3.33349615    -13.79846731
  O     17.96272269      3.93172114    -12.43621542
  H     18.30165227      5.64378995    -15.15026083
  H     12.78427549      4.17788668     -8.96811250
  O     14.43620439      3.65066614    -13.19035295
  H     15.97153242     10.63722058    -12.40951630
  H     12.58706705      4.45448101    -10.47935997
  O     13.05896151      4.75178410     -9.67857743
  H     17.27568189      9.81172991    -12.48086172
  H     11.84474954      7.68771271    -10.54980671
  O     12.51108640      7.50332432     -9.87137399
  H     12.65392358     10.75962562    -10.48868103
  H     12.60446042      6.54876564     -9.76276357
          69
 Energy    -248.82867360838696     
  O      1.07131400      2.34722909      2.48215677
  H      1.37389887      1.46088651      2.26328978
  H     -1.31935677     -2.90151937      3.83886351
  O      0.35302006      3.39467933     -0.05998145
  H      0.87834093      2.77753844      1.63857984
  H     -5.17163810      0.46393996      4.58899146
  O     -0.76263554     -1.30521086      4.49378429
  H      0.52227607      4.24253156     -0.46118945
  H     -4.17081824     -0.47615641      3.88456359
  O      1.63520554     -3.32348934     -2.27725683
  H     -0.61396436      3.27023448     -0.05339031
  H     -2.90457801     -0.81693099     -0.24347228
  O     -1.83628513     -1.35196537     -3.61751431
  H     -1.09982214     -0.69511419      5.16229206
  H     -2.65064696     -2.24378832      0.32740613
  O      0.96474849     -0.87863425     -3.19457506
  H     -0.97538175     -0.89889725      3.64108742
  H     -1.47918323     -3.81583333     -1.39751158
  O     -2.76363555      2.15580505      2.66156079
  H      1.47146036     -2.43514730     -2.64318033
  H     -0.26987689     -3.71648525     -2.34822454
  O     -2.03401429      0.31904172     -1.38021549
  H      2.29944988     -3.73126979     -2.82597269
  H     -1.69719655      0.72494110      2.20932846
  O      0.74924628      0.75646565     -0.93617075
  H     -1.70515288     -2.20991573     -3.17549677
  H     -1.92991294     -0.64135599      1.52178341
  O     -3.97742970     -2.01824785      3.05971137
  H     -2.36388324     -1.51881453     -4.39380372
  H      1.35132231     -2.16165267      0.72783718
  O      1.17489410     -4.55214686      2.81726121
  H      0.04676438     -0.93724363     -3.48634309
  H      1.47760554     -3.16318023     -0.47013422
  O     -1.53724766     -3.69425077      3.32480448
  H      0.97968486     -0.22928030     -2.47763604
  H      1.02536378     -1.65208137      4.19067540
  O     -4.27398230      0.41106931      4.27061677
  H     -3.38706216      1.62438510      3.17474810
  H      1.79578158     -2.83771352      3.59899589
  O     -3.17594051     -1.43834879      0.44549118
  H     -2.14946084      2.55980166      3.28979905
  H      0.40593031     -0.31325864      1.65592440
  O     -1.23353832     -3.67050114     -2.31950705
  H     -2.07339878     -0.16351984     -2.21582450
  H      1.70107910     -0.88707426      2.30677749
  O     -1.28443417     -0.12694343      2.02168615
  H     -1.09510701      0.42325486     -1.17296841
  H     -0.03652549      2.71949694      3.79426740
  O      1.22951493     -3.08076615      0.45996363
  H      0.71064677      1.70303571     -0.74790711
  H     -0.46343212      3.73815976      4.87439389
  O      1.86184409     -1.89072722      3.76354615
  H      1.09893311      0.33379752     -0.14103048
  H     -2.77597325      0.66210547      5.45914966
  O      1.36097861     -0.43735069      1.51717571
  H     -3.89452102     -1.83197356      2.11345338
  H     -1.48690726      1.50871918      5.50048341
  O     -0.73943771      2.94056611      4.43001956
  H     -3.33453937     -2.70884311      3.24987020
  H     -0.57489117     -3.40503967      0.43719265
  O     -1.92167294      0.74623406      5.90212514
  H      1.65967165     -5.37289194      2.77455685
  H     -1.67115786     -3.75116323      1.45476927
  O     -1.51253888     -3.63248047      0.50872689
  H      1.26097998     -4.13254028      1.94542370
  H     -2.58689656      2.63940623      0.87407466
  O     -2.27893060      2.81520074     -0.02543580
  H     -0.70240898     -4.17462936      3.26365075
  H     -2.39786360      2.00030080     -0.52955874
          69
 Energy    -248.82866579168115     
  O     14.71820696      9.72542698    -10.46463224
  H     14.51130438     10.22938803    -11.26546323
  H     17.73090821      4.33409119    -12.36154907
  O     12.87359084     10.55727043    -16.25667375
  H     13.91700083      9.26089629    -10.19603324
  H     12.16480012      7.73027541    -10.68610316
  O     16.95738727     10.71223007    -13.83857991
  H     12.95733760     11.37941131    -15.75759876
  H     11.71365009      8.34153007     -9.34267991
  O     13.38000119      5.18281008    -13.02560455
  H     12.81422822      9.85039086    -15.60097260
  H     14.49744731     12.83871971    -15.13448490
  O     17.12077914      7.24789129     -8.13621478
  H     17.59989771     10.65356144    -13.12234504
  H     13.34893240     13.78737852    -14.71059799
  O     16.05023279     12.47629890    -15.83959943
  H     16.07666151     10.72120396    -13.43962618
  H     13.75687333      8.01919403    -14.37299761
  O     15.87779881      7.54844586    -11.85753528
  H     13.94863930      4.94648635    -12.27911486
  H     12.45494662      8.18728677    -13.55478137
  O     14.27612017     10.81880532    -12.93162545
  H     13.96646604      5.57077884    -13.68775772
  H     15.05434812     10.39658022    -18.61193762
  O     18.62730035      7.62469276    -12.30924459
  H     17.28111194      7.14485553     -7.20121234
  H     14.33086594     10.45455703    -17.24524218
  O     18.77419291     10.37440802    -11.69335635
  H     16.19640359      6.98681153     -8.28774428
  H     12.20041364      6.32356274    -12.53023384
  O     17.72525467      5.40179998    -13.75403036
  H     15.88466705     11.87005892    -16.57310686
  H     10.71465723      6.75388587    -12.50273600
  O     17.69794697      3.85481158    -11.51356845
  H     16.53112564     11.96258735    -15.17586718
  H     14.71938170      5.79173509     -9.36161499
  O     12.48630819      8.10482665     -9.85147818
  H     16.83606789      7.63909357    -11.95449372
  H     13.83212034      6.98826831     -8.97524114
  O     13.61836598     12.87344904    -14.71411646
  H     15.55084051      8.29460972    -11.34404257
  H     16.01216863      4.47222681    -11.05842075
  O     13.04770289      8.64173461    -14.16360957
  H     13.99642500     11.60451312    -13.41731247
  H     15.46894300      5.91189517    -11.22408012
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  H     13.85267031     10.05998528    -13.35820163
  H     18.48922070      5.24989041    -10.41070424
  O     11.59519570      7.04722634    -12.28211071
  H     18.84922301      7.14167506    -11.49587762
  H     18.26200713      6.39584233     -9.38714913
  O     14.56356537      6.44550790     -8.66409227
  H     18.84691868      8.55237791    -12.17369425
  H     15.42801179      7.09452604    -13.51727060
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  H     19.51451018     10.92741344    -11.45884955
  H     15.68638558      7.43385576    -15.01969778
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  H     18.28756923     10.18915184    -10.86948314
  H     16.38158178      9.87461657     -9.73286505
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  H     18.16135001      6.20198389    -13.42496907
  H     17.35083706      8.92842248     -9.00516313
  O     17.31466379      9.75029671     -9.50818261
  H     16.92231399      5.70358880    -14.18845178
  H     16.77732870      9.37708640    -15.13793073
  O     16.49309561      8.73816828    -15.80544851
  H     18.08660075      2.99817082    -11.66747378
  H     16.11644541      9.25478325    -16.52729083
          69
 Energy    -248.82843276576870     
  O     16.04488316      9.30512883    -16.99051135
  H     16.48367437      9.55625039    -16.16952047
  H     19.17324591      3.50443276    -14.92575023
  O     17.66336439      5.92284813    -11.70348592
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  H     19.22304804      5.99880067    -17.54592017
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  H     18.54361788      5.87409492    -12.09459996
  H     17.67254554      6.17901397    -16.02903943
  O     13.06790163      6.80563920    -11.06028374
  H     19.92028486      3.81237286    -18.67624860
  H     16.90065138      6.43818605    -14.69748162
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  H     18.51745146      4.00294296    -18.05508288
  H     13.95061759      3.40419168    -10.39346393
  O     16.29352538      7.57502515    -13.35930880
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  H     14.53548547      2.55166428     -9.23972504
  O     17.37488754      3.18551589    -14.69799660
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  H     15.42203779      6.43034530    -16.18390014
  O     12.68344097      3.98838579    -11.46032298
  H     13.92481305      6.60449655    -10.64399104
  H     14.07494483      6.96552676    -15.66544026
  O     19.51672479      8.16247464    -14.81106152
  H     12.61851917      7.41634498    -10.48211032
  H     20.09084145      5.19891725    -13.88468551
  O     15.16952294      2.53230526    -16.15939818
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  H     20.96959302      5.81301701    -12.77636448
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  H     14.90391246      3.87040660    -13.33982198
  H     15.88937014      3.27941429    -11.38182425
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  H     15.35457126      7.41989767    -13.52720717
  H     16.82060093      4.35816866    -12.00039232
  O     17.00422317      5.81874892    -15.43153956
  H     16.54446099      8.43995906    -13.70591060
  H     16.27092786      6.06065769    -10.36460524
  O     14.76280750      3.20770594     -9.89236002
  H     17.25389354      4.10650794    -14.98811592
  H     15.26844355      5.06681704     -9.74588685
  O     14.63175091      6.92399648    -16.45113954
  H     17.10958947      3.14842889    -13.76858973
  H     16.18840875      6.82848568    -19.16633193
  O     20.10439644      5.86597201    -13.17609653
  H     12.63461950      4.94090234    -11.30880143
  H     15.04269666      6.38031534    -18.24479547
  O     16.33719443      3.54115866    -12.19432141
  H     12.98844508      3.88440862    -12.37140258
  H     13.80004941      5.78726656    -13.90035288
  O     15.41887913      6.00556403     -9.91524273
  H     19.45140427      7.75756913    -15.68807447
  H     13.34219776      6.88073993    -12.90822843
  O     15.57356257      6.10373256    -19.00292177
  H     19.73921668      7.44746167    -14.20437346
  H     17.68481343     10.68242040    -14.21505139
  O     13.67114075      6.74389021    -13.80533387
  H     15.01603543      1.59828424    -16.28486955
  H     18.22345343      9.28881981    -14.62817503
  O     17.41540867      9.82866333    -14.54216516
  H     16.00428889      2.61459277    -15.66533156
  H     17.57864077      8.92874686    -19.75856524
  O     17.44392999      8.29734768    -19.05764737
  H     19.98610222      4.05358558    -16.09585556
  H     16.94194326      8.75408681    -18.35713894
          69
 Energy    -248.82810618390369     
  O     -2.28166865      3.90718055      2.87512230
  H     -2.05422930      4.55962501      3.53224203
  H     -4.52686013     -1.59304626      0.96813759
  O     -4.26342119     -1.53939859      5.44316470
  H     -2.08993471      3.03540881      3.26351576
  H     -6.53773847      3.77234382     -0.39042695
  O      1.00802529      2.67167536     -0.68704384
  H     -4.67418768     -1.79909984      6.26343932
  H     -5.50265583      3.10966596      0.54408831
  O     -4.92953177      3.00582339      2.19370851
  H     -3.35901732     -1.25014921      5.66004884
  H     -4.19121935      3.57198766     -1.30220959
  O     -0.14587371      1.22112138     -2.83811755
  H      0.14653551      2.92124450     -0.30931506
  H     -3.14567600      3.23280299     -2.40460764
  O     -1.46528511      3.27044739      0.26605424
  H      1.53891294      3.46344489     -0.70938530
  H     -2.87752445      1.05899616      3.66341266
  O     -2.11372979     -2.34316098     -1.38399043
  H     -4.09537650      3.43223279      2.42060289
  H     -1.43072824      0.81773284      3.13450283
  O     -0.49832117     -2.36016520      3.75533288
  H     -4.96865199      2.20237963      2.72776006
  H     -2.21245759      1.56194619      0.18031185
  O     -4.62098975      0.52682681      3.55130455
  H      0.01157542      0.30456094     -2.58040900
  H     -2.75037863      0.41810239     -0.73702903
  O     -3.15856301     -3.23340820      3.38060384
  H      0.30578293      1.76232977     -2.17934005
  H     -4.44933542      0.03124979     -2.04081759
  O     -3.80557481     -3.28364669      0.75607727
  H     -2.10585213      3.57489585     -0.39788284
  H     -3.27759546      0.55071953     -2.93095015
  O     -4.76261051     -0.66697216      1.10241377
  H     -1.73299776      3.59851590      1.13191010
  H      1.43723473      0.95863470      0.01202822
  O     -5.78931594      3.18062597     -0.38351817
  H     -2.67906563     -1.68128687     -1.80901474
  H      1.17679361     -0.49980906     -0.41796775
  O     -3.30758250      3.78393561     -1.62915294
  H     -2.61774119     -2.69674990     -0.64349919
  H      0.16951068     -0.20100518      1.47807393
  O     -1.95630859      1.34909909      3.74906136
  H     -0.54086344     -1.67393495      3.06613619
  H     -1.36416467     -0.15060086      1.28946864
  O     -2.53357727      0.65272644      0.17472706
  H      0.34594783     -2.79308820      3.66041241
  H     -0.49716127     -1.77700489     -1.64484614
  O     -3.54007467     -0.15082068     -2.32400429
  H     -4.65609104     -0.13497168      4.25162822
  H      0.82740328     -2.06568472     -2.38291618
  O      1.47688821      0.04515687      0.32250082
  H     -4.75565732      0.05155047      2.71633898
  H     -2.49097056      2.22689792     -4.69641899
  O     -0.67163066     -0.34318249      1.93641130
  H     -2.22362370     -3.04160473      3.52997504
  H     -1.64703047      1.77553864     -3.47886967
  O      0.37680627     -1.40644685     -1.86119550
  H     -3.64081447     -2.73719639      4.05148371
  H     -1.68282419      0.13999875      5.23163120
  O     -2.54163510      2.04022543     -3.76299052
  H     -4.31766953     -4.06907772      0.57922360
  H     -1.17524083     -1.30875250      5.20027758
  O     -1.69183392     -0.68736386      5.73001138
  H     -3.55536121     -3.32016131      1.69639672
  H     -5.76204253      0.00867332     -0.35469970
  O     -5.96031850      0.45770989     -1.18763374
  H     -4.00072813     -0.14364004      0.80594260
  H     -5.97730596      1.39899034     -0.97269917
          69
 Energy    -248.82802480593367     
  O     10.76374482     11.07290507    -10.59280700
  H     10.66684632     10.11844295    -10.68410379
  H      9.90409167      7.86248705    -10.12877051
  O     13.51727185     10.85252180    -17.89599492
  H     10.68722782     11.43633390    -11.48408323
  H     13.67662594     11.82390189    -12.12017000
  O     11.89245694      7.25889970    -12.90771551
  H     12.59336936     10.71475490    -17.61967466
  H     12.48832669     12.62814568    -12.68672285
  O     14.62914382     10.24518371    -15.37004348
  H     13.58010816     10.57231486    -18.80472421
  H     16.00462646     10.54842480    -11.77953157
  O     13.00353064     10.79783713     -9.02640329
  H     11.43328181      6.48815068    -13.23303418
  H     17.19772391     11.44247548    -12.21131208
  O     13.34054864     13.39648217    -16.56092920
  H     11.43264697      7.54381038    -12.10006781
  H     16.70224261      9.19213340    -13.24257964
  O     12.07036133      9.66144347    -14.38995454
  H     14.88974691     11.12341714    -15.05725525
  H     15.74787111      9.07900131    -14.45031678
  O     15.43633917      7.45493054     -9.40492388
  H     14.37153054     10.34982109    -16.29447360
  H     15.16863831      7.73841067    -12.70657775
  O     14.20899494     10.25925796    -11.49608229
  H     13.60055036     11.51152310     -8.77853341
  H     13.69708320      7.28447863    -12.37617951
  O     12.72118847      8.09043411     -8.78725138
  H     12.22586622     11.14143714     -9.49252729
  H     18.07662827     13.84774497    -12.67347354
  O     15.44319280     13.84997253    -10.86073579
  H     14.04035824     13.35440130    -15.89604039
  H     16.71054305     13.54613498    -12.00774131
  O     10.70951904      8.10828285    -10.57741435
  H     13.48038544     12.63270499    -17.13393351
  H     10.70561688     12.47237017    -14.07914069
  O     13.40878961     12.70956342    -12.41229478
  H     12.02612682      8.81678390    -13.92961503
  H     11.28452791     11.11282808    -13.63022701
  O     16.96428762     10.55302745    -11.92018470
  H     12.99228733      9.81990517    -14.63793434
  H     15.58197694     12.64902046     -7.59963435
  O     16.25184734      8.55479847    -13.81302014
  H     15.96250227      6.67848618     -9.22901451
  H     15.79719241     11.53761635     -8.65380840
  O     14.55471063      7.49760637    -11.99324368
  H     15.17221213      7.40478882    -10.33991978
  H     14.50502211     12.86378007    -13.79974088
  O     17.33002556     13.25617982    -12.70306648
  H     14.23792902      9.31787577    -11.70010310
  H     16.01601030     13.02609382    -14.06473396
  O     10.89677918     11.93764109    -13.29910335
  H     13.84808701     10.34955200    -10.60378008
  H     11.66370500     13.39229744    -16.03806928
  O     15.28873753     12.34467607     -8.45460385
  H     12.80896434      9.05244753     -8.69856859
  H     10.25923890     14.03504763    -16.10314285
  O     15.17717550     12.83668755    -14.49884242
  H     13.62099432      7.75867031     -8.87877213
  H     16.24394906      9.20490290     -9.14279033
  O     10.73131316     13.27079361    -15.78366356
  H     15.40675941     13.40171131    -10.00709738
  H     16.95853228     10.21494542    -10.05873858
  O     16.64309087     10.08256266     -9.15440027
  H     14.63027564     13.61113882    -11.32727545
  H     11.26681078     10.15268043    -16.00266911
  O     11.02807115     10.60476230    -16.82423559
  H     11.42552238      8.04329235     -9.91860334
  H     10.75373548     11.49093290    -16.55738862
          69
 Energy    -248.82788245328092     
  O      3.71389601     -4.76906321      5.18896278
  H      3.32519090     -4.43595886      5.99306698
  H      2.76354477     -8.32804373      3.99558527
  O      5.07242956     -7.92649161     -2.71614181
  H      4.42477055     -5.38368045      5.44872810
  H      3.25544243     -9.26226339     -0.67153491
  O      4.44361163     -6.64968099      1.08624441
  H      4.46495056     -7.17900551     -2.77509484
  H      3.30840348     -9.36016918      0.86946137
  O      5.37571871    -11.69448424     -0.19972221
  H      5.75050126     -7.68900816     -2.06892158
  H      6.82509275    -10.47185217      0.26753646
  O      6.53478869     -9.33183353      3.24286895
  H      4.30100500     -5.85836970      0.54912338
  H      7.29066956     -9.72235082      1.52656671
  O      5.26517584     -9.34047638      5.78832961
  H      3.93686481     -7.37734693      0.69693004
  H      4.23577453     -3.07900218      2.46114774
  O      6.52815366     -6.58570875      2.94448441
  H      5.56801821    -12.58148412     -0.49434418
  H      4.51359804     -3.75068383      3.82621262
  O      3.23706389     -5.75895646     -2.68276553
  H      4.91019841    -11.25150249     -0.92726259
  H      1.87242206     -6.39325492     -1.46551198
  O      2.63415994     -6.57794088      3.31582075
  H      6.64647786     -8.37682637      3.12453889
  H      1.74491368     -7.48391145     -0.39043706
  O      7.01385263     -4.52399827     -0.36763949
  H      6.25887099     -9.45323900      4.15950564
  H      5.27905356     -4.30853055     -0.55371795
  O      4.22748835    -10.39167074      2.04248913
  H      5.17541325     -9.96414407      6.50334681
  H      3.89300955     -3.73661845     -0.04606852
  O      2.99875597     -9.21067893      4.31147206
  H      4.40290647     -9.30462698      5.33483127
  H      3.38530082    -10.53616221     -2.82802485
  O      3.00540114     -8.80303657      0.13862384
  H      7.01433224     -5.76997677      2.77303344
  H      4.41481132     -9.45579178     -2.40831395
  O      7.42123753     -9.77798263      0.57112207
  H      5.76756615     -6.57703607      2.34723259
  H      8.08577116     -3.43650937      2.81711702
  O      4.93984271     -3.32151716      3.07427817
  H      3.62580815     -5.21261136     -1.97690924
  H      6.56895879     -3.70524371      2.64401341
  O      1.33664544     -6.67048231     -0.71313191
  H      3.05703582     -5.17344581     -3.41422661
  H      5.56652581     -7.46989067      5.83083241
  O      4.31474800     -4.41012369     -0.59242507
  H      3.26388919     -6.54781488      2.58416232
  H      6.05811360     -6.51824462      4.72683096
  O      3.96594702    -10.27251049     -2.11937400
  H      2.94795751     -5.95008499      3.98060800
  H      6.00236359     -7.14010574      0.03965190
  O      7.45887334     -4.01649271      2.39384548
  H      7.16111124     -5.46962117     -0.50333943
  H      7.11647350     -8.17391335     -0.21087555
  O      5.68805970     -6.53642481      5.62066229
  H      7.28876874     -4.32734180      0.53664237
  H      1.50913290     -5.50511120      2.17666601
  O      6.74336527     -7.34425503     -0.54298133
  H      4.55651119    -10.99737761      1.36738186
  H      1.18633551     -5.49595739      0.66642306
  O      1.26396295     -4.92610917      1.44584622
  H      5.01420669     -9.99240859      2.44254692
  H      2.24553283     -3.53367341      1.29877233
  O      2.88632958     -2.80575899      1.18984970
  H      3.22133176     -9.73107501      3.52924767
  H      2.38125918     -2.00350032      1.09280085
          69
 Energy    -248.82786185990574     
  O     18.06405981      8.97030484    -13.53140984
  H     18.45261644      8.82421210    -12.65689508
  H     18.07018850      6.06105229     -9.59306610
  O     11.70740530      9.58317493    -10.74672760
  H     18.39793133      9.81741958    -13.85228570
  H     14.62907109      8.95882332    -11.68550029
  O     11.26711609      8.96863347    -13.32692659
  H     10.92784682      9.44219630    -10.21664547
  H     13.39154974      8.85363184    -10.74241760
  O     16.69284504      6.70284740    -14.35779668
  H     11.48249667      9.31738010    -11.65822260
  H     20.44147870      5.46016578    -10.58034420
  O     19.01195309      8.67359573    -10.95974521
  H     11.69994105      8.23626767    -13.77948401
  H     19.16151087      5.57403324    -11.44434797
  O     19.13669076     11.46707751    -11.27156004
  H     11.42967134      9.76670781    -13.84814438
  H     15.30791289     11.29855011    -12.40011986
  O     16.62378512      8.91645269     -9.53809585
  H     15.98453482      6.62908778    -13.70250853
  H     14.25220250     12.28175945    -11.84991579
  O     12.71028342      6.80212799    -14.49513857
  H     17.24036274      7.46395842    -14.11021423
  H     17.32289847      4.57312968    -12.12757600
  O     14.20582118     11.19696521    -15.81614551
  H     19.36402352      7.78198400    -10.85123974
  H     17.71389162      5.41431741    -13.35881315
  O     14.75569238      8.43171715    -15.57659819
  H     18.18756238      8.71927763    -10.45309535
  H     15.03288505      9.40372842    -13.93804133
  O     11.83259551     11.43062550    -14.57372170
  H     19.30101955     10.52909739    -11.10370790
  H     16.36345004      9.44980714    -13.16223527
  O     17.16438840      6.11509072     -9.26242349
  H     18.38330635     11.69533511    -10.71413099
  H     19.01582172     11.65767381    -13.01194125
  O     14.26715410      8.48763946    -10.91666571
  H     16.66986822      9.87707992     -9.45307430
  H     19.68691726     11.99932587    -14.36378683
  O     19.64501108      5.97046650    -10.69730500
  H     15.76587335      8.72634605     -9.94541747
  H     17.17483414     12.30232516    -14.43310922
  O     15.20677237     12.14097236    -11.93202418
  H     12.33455352      6.01033120    -14.87236429
  H     15.91521943     12.69829390    -13.65002162
  O     18.07997513      4.89036906    -12.63564570
  H     13.31125113      6.51830559    -13.78529599
  H     14.39861183      6.98516845    -11.89385153
  O     15.41812516      9.63722604    -13.08604496
  H     14.48420996     10.28536966    -15.96196903
  H     14.89195390      5.51947217    -11.99097336
  O     18.90843001     11.60525224    -13.97872552
  H     14.96345471     11.68318327    -15.45917272
  H     16.57408813     12.43495217     -9.07415332
  O     16.26280483     12.59431374    -14.54466852
  H     15.50138747      7.84072187    -15.41354113
  H     16.17124957     11.94986814    -10.48613566
  O     14.52530493      6.24717428    -12.50797508
  H     13.96624159      7.91661776    -15.36646994
  H     12.18742901     11.35211760    -11.38495477
  O     16.74393236     11.75659636     -9.72288339
  H     12.68772883     11.37649101    -15.03700892
  H     12.22062186     11.97951464    -12.79072020
  O     12.47511288     12.13359650    -11.87144433
  H     11.25967945     11.95891608    -15.12322155
  H     16.25606760      5.00281896    -10.25580684
  O     15.84781476      4.39555711    -10.89947165
  H     16.96142104      7.05504383     -9.18337528
  H     15.60510021      3.60821625    -10.42000888
          69
 Energy    -248.82750115562544     
  O     12.17757956     10.58191586    -14.74426162
  H     12.40805896      9.77293422    -15.22639483
  H     16.50361798     10.80829138    -17.04740366
  O     16.21256173      6.68475268    -12.89350676
  H     12.77472509     11.25914206    -15.07649237
  H     14.62426349      8.69246198    -14.88628324
  O     17.54655928     10.95888686    -11.78233513
  H     16.98999407      7.14963484    -12.55393106
  H     15.63508315      8.13744653    -13.83955689
  O     17.45025125     10.12356378    -15.80060889
  H     15.64683647      6.49649302    -12.13513260
  H     11.86593176     10.07612300    -13.11021420
  O     12.67006748      5.78914619    -14.77700599
  H     16.82040360     11.22311224    -12.36648033
  H     10.79680978      9.91303590    -12.00769387
  O     15.30802439     11.45224473    -13.34719524
  H     17.18810298     10.98817296    -10.88732587
  H     16.39021130      8.93597675     -9.39645417
  O     16.75696855      6.32347470    -17.38729394
  H     18.09777926     10.50849415    -15.19256044
  H     17.28527827      7.99406737    -10.22783731
  O     14.64367525      6.39383154    -10.55151219
  H     16.77919783      9.66089645    -15.27660959
  H     12.30278695      7.95329642    -12.29608289
  O     18.85237545      7.72145579    -16.08183397
  H     11.92832755      5.19395642    -14.83980998
  H     13.23386997      6.87151060    -11.69047839
  O     15.45049467      5.37079948    -15.22806170
  H     12.62312277      6.20607417    -13.89666042
  H     18.87094224     11.04382111    -13.13423005
  O     20.25285527      8.14145572    -13.80032438
  H     15.00349929     11.95816256    -14.10687060
  H     19.79831701     10.04382336    -13.86175766
  O     15.83898057     11.12208462    -17.68848154
  H     15.26792149     10.52166176    -13.62186832
  H     19.01038084      8.12931790    -12.43742890
  O     15.40229305      8.91578270    -14.35994336
  H     16.87130618      5.60713482    -18.00674892
  H     18.00675081      9.16979420    -11.87348820
  O     11.71057426      9.73094086    -12.21258152
  H     16.28012242      5.95408733    -16.62175620
  H     15.22636977     10.85849374     -9.87529274
  O     16.57937295      8.00480389     -9.56826985
  H     15.28241710      6.99513163    -10.12923158
  H     15.97522202     11.35727945     -8.61532143
  O     12.59020067      7.03700027    -12.38971087
  H     14.59848217      5.61709367     -9.99956541
  H     15.58888691      7.75743652    -17.86772330
  O     19.33962546     10.88680782    -13.96473388
  H     18.43038814      8.59123129    -16.10915561
  H     15.23616896      9.26598339    -18.01471176
  O     18.25287420      8.23414623    -11.84815882
  H     18.23196173      7.13390281    -16.52741068
  H     13.11794966     10.55662679    -11.24902344
  O     16.05539606     10.77827846     -9.36816194
  H     14.49257808      5.40908198    -15.12308079
  H     14.33960631     11.30263344    -11.79548692
  O     14.86755213      8.37640529    -18.04069041
  H     15.81760382      5.72977323    -14.40828243
  H     13.97651772     13.27031529    -16.12542137
  O     13.90523695     11.03813180    -10.97228139
  H     19.78705726      7.90021340    -14.62140792
  H     14.71268678     11.96633289    -16.49054506
  O     14.20037390     12.40372708    -15.79326708
  H     21.13719964      7.79359653    -13.87429149
  H     12.92820697      7.40338082    -15.65761364
  O     13.15267478      8.30171647    -15.92656970
  H     16.31988533     11.48736535    -18.42702756
  H     13.66017320      8.26246008    -16.75113108
          69
 Energy    -248.82736195267549     
  O     14.37413412      6.16292563    -13.09762587
  H     13.90996881      5.64797586    -13.76663464
  H     18.77694906      4.66000616    -14.49204936
  O     18.00450814      8.92160784    -12.05324539
  H     14.63154766      6.98418731    -13.55283993
  H     17.48997637     10.09015604    -16.45090518
  O     18.96883492      8.90989267    -16.48008305
  H     17.56598220      8.05973026    -12.03201130
  H     16.51511336     10.73793638    -15.45183736
  O     11.24492846      7.44823018    -15.27508454
  H     18.06908889      9.22129732    -11.13759450
  H     14.27991423      8.72529653    -14.92166574
  O     15.25573253     10.32977322     -9.32668180
  H     19.71054414      9.00708292    -17.07109271
  H     15.54279919      9.11238798    -14.11681657
  O     13.11243917      7.85708451    -11.30835699
  H     19.33542994      8.69977722    -15.60265257
  H     11.38319878     10.18836205    -13.21290805
  O     16.34207842     10.60094753    -13.52584856
  H     11.77230379      6.64148463    -15.24768712
  H     12.29034102     10.60323497    -14.37332727
  O     14.62529124      6.52931051    -17.30656406
  H     11.01136095      7.66905354    -14.36385690
  H     17.24490871      7.78141942     -9.19160198
  O     14.17545272      7.71208434     -8.73417986
  H     14.85263096     10.56624682    -10.17339897
  H     16.84812884      6.62015691    -10.13163964
  O     17.00961192      6.96025754    -15.89758901
  H     14.78518130      9.54613771     -9.01868752
  H     10.00612252      8.30709520    -12.03300319
  O     13.08257703      5.23604041    -15.43955260
  H     13.41301460      7.74108203    -10.39822073
  H     11.54601821      8.20156934    -12.09308704
  O     18.51255320      5.50043795    -14.12720837
  H     13.52489883      7.17128318    -11.85166936
  H     19.57033937      7.15183011    -14.00674564
  O     16.63327415     10.53020383    -16.38736643
  H     15.58301784     10.72235533    -12.93665447
  H     19.29794666      8.49114835    -13.30560575
  O     15.05609546      8.36034891    -14.47628859
  H     17.01364198     10.12691040    -13.01530650
  H     17.52041057      5.91882013    -12.60505436
  O     11.95044710     10.90546792    -13.51875041
  H     14.52822097      7.43835800    -17.61411456
  H     16.02073297      6.15658828    -12.30142325
  O     16.72722558      6.96804595     -9.23767729
  H     15.52586849      6.48857116    -16.95809772
  H     18.37682218     10.13312240     -8.75030343
  O     10.75312471      8.39562302    -12.61988708
  H     15.07943713      7.37646154     -8.87429871
  H     16.95108704      9.94961111     -9.32712700
  O     19.79546084      8.08933724    -14.03152753
  H     13.88137969      7.37020581     -7.89438691
  H     14.67593673      9.81546507    -18.77105070
  O     16.91410303      6.31411742    -11.96633268
  H     17.64892158      7.59898784    -16.23790754
  H     15.37471859      9.79434099    -17.39370049
  O     17.86256489      9.60523754     -9.35447957
  H     16.32825721      7.46840184    -15.43055159
  H     13.36845998     10.83444468    -12.40510815
  O     14.68362033      9.36593477    -17.92993965
  H     13.59919131      5.68648804    -16.13113178
  H     13.86321731      9.55911962    -11.71341340
  O     14.09656275     10.48319115    -11.87190742
  H     12.78295727      4.41416963    -15.81998420
  H     13.34924150      9.55162707    -16.63270387
  O     12.90633809      9.55158596    -15.77694500
  H     17.94516149      5.93122222    -14.79034429
  H     12.26579687      8.82282311    -15.75445563
          69
 Energy    -248.82734529255112     
  O     12.41046135     11.76043022    -16.72987308
  H     12.85163238     11.33624643    -17.47591534
  H     17.72803911     10.03483437    -16.17010087
  O     16.74038954      5.54467325    -14.43773645
  H     13.11489383     12.02100372    -16.12142994
  H     15.43735088     11.01743912    -16.15478667
  O     19.56386278      9.32004952    -13.33186451
  H     16.51635849      6.27120120    -15.03194035
  H     15.23360951     10.36414367    -17.54530889
  O     14.30030750      4.70703251    -13.69987799
  H     17.32815675      5.92152845    -13.76547255
  H     14.64778911      9.40922099    -13.06210371
  O     15.96016968      9.79393757     -9.83576705
  H     20.50784038      9.42305815    -13.41717032
  H     15.12405183      8.01239125    -12.55771133
  O     14.52612976      6.54573514    -11.58297695
  H     19.19112012      9.40243220    -14.22767693
  H     11.14188107     10.69161566    -16.19586891
  O     13.29419910     10.60352870    -12.95820398
  H     14.19576550      3.76058851    -13.73821073
  H      9.63196903     10.35438578    -16.15865052
  O     12.14474792      8.21449418    -17.49967121
  H     15.21706300      4.90475365    -13.97059067
  H     18.76717319      7.65151191    -12.73609075
  O     16.73767156      7.05825558    -10.08107950
  H     16.25135487      8.87468789     -9.79411747
  H     17.86402974      6.98617272    -11.67233265
  O     15.82022074      7.93525800    -15.62743070
  H     16.50526283     10.19999060    -10.52259694
  H     11.82289340      8.07200530    -12.00926399
  O     13.27043262      6.82291906    -15.29542267
  H     13.65707919      6.91599860    -11.36404820
  H     12.45795953      8.67977726    -10.73375062
  O     18.32214577      9.39705024    -15.75634569
  H     14.40098144      5.84998112    -12.23885606
  H     17.12926057     13.65916707    -13.01461275
  O     15.85453014     10.43962259    -16.80997900
  H     12.64238605      9.95493394    -13.26154079
  H     16.95723660     12.13176156    -12.97522009
  O     15.37947028      8.77800374    -13.08710134
  H     13.24538511     10.64363588    -11.99450877
  H     18.19070728     10.20514361    -12.46540932
  O     10.49571257      9.99815875    -15.96949100
  H     12.47563139      7.59135584    -16.84099066
  H     16.67911269      9.89476730    -12.51871348
  O     18.27560421      6.84792749    -12.53311085
  H     11.46884605      8.73650593    -17.04931755
  H     13.68971414     10.04356208    -19.59877550
  O     12.18096109      7.84876150    -11.13991259
  H     15.93067129      6.78915289    -10.55403181
  H     13.21328588      9.36228160    -18.29468863
  O     16.70629774     12.93161517    -13.46322689
  H     16.88361274      6.40896422     -9.39717292
  H     13.01102583     10.85560998     -9.45353500
  O     17.32768580     10.53337575    -12.18425367
  H     15.79294036      8.74671698    -16.15280130
  H     14.25516292     10.12837106    -10.01286444
  O     13.75134808     10.09263992    -18.64861334
  H     15.73838480      8.21658751    -14.70007406
  H     14.06661238     11.59814104    -14.23487490
  O     13.31322774     10.31287706    -10.17687673
  H     14.12997782      7.22060995    -15.49458890
  H     15.29329825     12.49953838    -14.49694647
  O     14.55306091     12.05700922    -14.93494765
  H     13.46167074      6.01572951    -14.80374648
  H     12.18865327      7.94701843    -14.31114910
  O     11.63370914      8.58457626    -13.83981237
  H     17.78844579      8.59591902    -15.71881929
  H     11.11485774      9.04813609    -14.51001390
          69
 Energy    -248.82730650058681     
  O     12.10019230     14.08284092    -13.14268500
  H     11.32722080     13.55041458    -12.91656091
  H      8.96234981     12.79430787    -12.20047795
  O     14.40162948      9.75663344    -17.70143710
  H     12.40039649     13.80129016    -14.01313590
  H     14.47775710     12.72000983    -14.04924457
  O     11.26485816     10.28456945    -13.16227093
  H     13.53776858      9.98621239    -17.33668865
  H     14.51930352     11.89680281    -12.73496257
  O     14.89829609      8.69204748    -15.19138190
  H     14.95060751     10.53804348    -17.55416268
  H     16.07286567      8.90445825    -11.45928614
  O     13.12920766     12.56090849     -9.54051866
  H     12.06921613     10.47960261    -12.65370492
  H     14.87762882      7.97809612    -11.85993095
  O     15.96061651     11.99349118    -16.74481848
  H     10.63633316     10.98116275    -12.94165218
  H     14.23946174      6.09297007    -13.48498820
  O     12.54867563     10.31401563    -15.57299095
  H     15.57597884      9.30481053    -14.87418857
  H     14.35138965      7.55478436    -13.97290811
  O     11.31799686      8.72008050     -9.42979527
  H     14.83259347      8.82500111    -16.14735995
  H     15.87245862     13.56516261    -12.16749246
  O     13.54202307     10.83885827    -11.71096059
  H     13.29501732     13.43282851     -9.92186303
  H     15.33080736     14.53282045    -11.12694513
  O     10.59964359     11.47622955     -9.82650243
  H     13.86037452     12.32994465     -8.95448479
  H     12.39255595      7.45269561    -12.40290281
  O     17.00110874     11.71852818    -10.21275693
  H     16.67415408     12.47036461    -17.16373751
  H     11.34416613      8.58126594    -12.47462463
  O      9.87104997     12.50689512    -12.21977586
  H     16.35534522     11.52193182    -15.99468036
  H     17.48388477     10.48164693    -11.28542197
  O     15.06039742     12.42653113    -13.33894637
  H     13.31857892      9.78172910    -15.33446984
  H     18.54912468      9.40890834    -11.61337180
  O     15.18726850      8.61626906    -11.20511893
  H     11.95443067     10.26519130    -14.81110277
  H     15.41666518     11.45107399     -7.09175192
  O     14.08956659      6.99725166    -13.22016011
  H     11.42163503      8.34520310    -10.32198651
  H     14.78528955     10.55467758     -8.18626563
  O     16.13620543     14.07164966    -11.38501668
  H     10.74400140      8.12586849     -8.95224810
  H     16.16960261     11.30261968    -14.00943481
  O     11.60131921      7.79422072    -11.97297110
  H     14.08642090     10.08034430    -11.46582383
  H     17.24511323     10.26780379    -13.65118223
  O     17.69492921      9.73708807    -11.88111698
  H     13.38791621     11.37344200    -10.92082965
  H     14.21015827     12.87632213    -16.07678105
  O     15.18654051     11.42706224     -8.01642122
  H     11.42632320     11.92260376     -9.59323581
  H     13.01866351     12.05874664    -15.56326504
  O     16.74808861     10.62349345    -14.39661105
  H     10.76407312     10.53626700     -9.68683842
  H     13.11123317      8.96930610     -8.86815625
  O     13.42571060     12.93860390    -15.52076941
  H     16.78277223     12.59312376    -10.56663327
  H     14.50758714      8.78093178     -9.49843934
  O     14.05463568      9.07728006     -8.69691822
  H     16.45599328     11.60345685     -9.42709916
  H     12.99821646     14.68275737    -11.75143599
  O     13.44016432     14.96840071    -10.93206908
  H     10.07772917     12.16646121    -11.32968586
  H     13.12908507     15.85140779    -10.75075572
          69
 Energy    -248.82722113127471     
  O      5.85628463      1.26351531      4.61941313
  H      5.95818551      1.95002566      5.27347859
  H      3.24197230      1.40910044      0.46175936
  O      2.58653261     -3.98344033      0.19099344
  H      4.90492788      1.21116367      4.41091045
  H      4.57102510     -2.67382683     -3.87489742
  O      6.94649940     -0.56464632      0.75662853
  H      3.53149572     -3.98955076     -0.02012644
  H      5.05338511     -1.68078201     -4.96115487
  O      6.19143096      1.83781254      1.80961640
  H      2.40863587     -3.15841422      0.66588848
  H      3.29143235     -1.65569543      1.85952655
  O      2.64131204     -5.15735241      2.80771867
  H      6.75977126      0.33811323      1.05717115
  H      1.84695291     -1.36968955      2.33376873
  O      4.24829531     -4.26141674     -3.20506234
  H      6.55406131     -0.67462335     -0.11816036
  H      5.36393490     -2.87361493     -0.82918120
  O      5.35205735     -1.12074520     -1.42328081
  H      6.18155626      1.71771799      2.76683228
  H      6.04416425     -4.06035961     -0.07877372
  O      1.54074787     -3.96637326     -2.32983154
  H      5.27599157      2.00425970      1.55230631
  H      7.83565678     -5.43194544      1.14797891
  O      4.97073262     -1.81188900      2.32027265
  H      3.60500849     -5.14974208      2.87796308
  H      6.69811420     -4.71629501      1.91343937
  O      3.27985268      1.13029050      3.83936950
  H      2.46324606     -4.90936786      1.89299661
  H      7.21989028     -1.66573282      4.01285255
  O      8.24320625     -2.16062052      2.60717415
  H      4.68690113     -4.28473088     -2.34390703
  H      6.41760392     -0.49007112      4.69671598
  O      3.41647824      2.08761130      1.13471554
  H      3.30119413     -4.28733425     -3.01735152
  H      2.90401083     -1.28493841     -3.42601552
  O      4.67992064     -1.72884520     -4.08574515
  H      4.54626009     -0.68548328     -1.11117681
  H      1.80374830     -2.11112490     -2.74050507
  O      2.37009402     -1.59413737      1.55674586
  H      5.25385510     -1.23256275     -2.37661961
  H      1.76811881     -1.76228189      4.41290888
  O      5.27216554     -3.80890757     -0.59734343
  H      1.82379997     -4.01671472     -1.40040848
  H      0.48504662     -0.89921407      4.47937189
  O      7.35803292     -4.60775673      1.20652604
  H      0.76252627     -4.51157154     -2.41021116
  H      5.74312276     -2.79435895      5.45647081
  O      6.51661052     -1.44903284      4.64603649
  H      5.32088427     -1.62171512      3.19954500
  H      5.60178515     -3.83775158      6.59132879
  O      2.10302390     -1.20607133     -2.89346938
  H      5.61314900     -1.43587064      1.70375835
  H      2.45405434     -3.92545644      4.16280210
  O      1.34780403     -0.94825837      4.07751298
  H      3.21751142      1.42869150      2.92344185
  H      3.39607416     -3.34758378      5.24508110
  O      5.26253019     -3.59434340      5.73425074
  H      2.60537109      0.45194295      3.96111278
  H      5.41986009     -4.37464000      4.02574936
  O      2.53293724     -3.23225324      4.83479711
  H      8.11770104     -3.02171842      2.19539534
  H      5.16433615     -3.61740228      2.70647349
  O      5.38210574     -4.49073880      3.06817428
  H      7.96847573     -1.52759949      1.92633322
  H      2.52387977     -0.31730428     -1.40138576
  O      2.92336072      0.01521208     -0.58420884
  H      3.01166425      2.89206667      0.81885209
  H      2.62950084     -0.55683835      0.14076158
          69
 Energy    -248.82704157121645     
  O     16.54766137     10.05396373    -11.69388624
  H     16.52140190     10.89402649    -11.21601336
  H     14.02996348     10.50860427     -7.61738473
  O     13.28092913      6.72152716     -7.90233491
  H     16.11195052      9.42864253    -11.09054872
  H     18.78519717      5.37529664    -12.99532050
  O     16.30284263     12.01579304     -9.78828677
  H     13.89986356      6.24016031     -8.46631227
  H     18.16957284      4.98394737    -11.63977101
  O     11.10886935      7.33326856     -9.62390164
  H     12.48690541      6.85334175     -8.43572785
  H     14.78013483      5.70474583    -10.78038692
  O     15.09929113      8.58661663    -13.53079826
  H     15.50586379     11.81239712     -9.27757988
  H     16.05888797      5.71301343     -9.90476201
  O     18.73318506      8.38868920    -11.49495624
  H     17.04093903     11.85091812     -9.19159418
  H     20.25721617      7.26671998    -14.06691674
  O     19.91375204      9.10821713     -9.13031010
  H     10.17498108      7.21116551     -9.47588877
  H     19.22252501      7.55527159    -12.95469386
  O     17.85678560      6.07427580    -10.11829064
  H     11.28555990      7.05663436    -10.54122803
  H     18.36466591     11.56343816     -7.06264995
  O     11.72924695      6.82195990    -12.20472789
  H     15.63854870      9.18158012    -12.99125490
  H     17.63005115     10.34576490     -7.66811849
  O     12.54727535      9.42682137    -13.06851251
  H     15.68952444      8.13879458    -14.15450656
  H     16.54217246      6.13924684    -14.86690627
  O     12.69147256      9.60130134    -10.23873237
  H     19.25267083      8.68213498    -10.73233016
  H     17.73005955      7.09517273    -14.67595306
  O     14.01959135     11.16985015     -8.31706753
  H     18.03342431      9.04049119    -11.63757484
  H     15.15910806      7.53694833     -9.91160791
  O     18.28420448      4.67992362    -12.54903578
  H     19.68265279      8.37315432     -8.54987333
  H     14.37078735      8.88271169     -9.94758894
  O     15.09237268      5.73215755     -9.86399264
  H     19.48302422      9.88421183     -8.74919015
  H     13.76936234      8.09829271     -6.92815233
  O     19.39594204      7.01421742    -13.74488026
  H     18.07217174      6.86795202    -10.62881608
  H     13.56200063      8.86449334     -5.60264563
  O     18.25645753     11.06107775     -7.86710518
  H     18.19441902      6.23355766     -9.22881300
  H     14.66296546      6.90152236    -12.80082405
  O     16.82213256      7.05277107    -15.00148086
  H     12.57473731      6.37297895    -12.34069377
  H     14.87306895      5.39109215    -13.08424901
  O     15.25597078      8.49665559     -9.91536675
  H     11.83982085      7.69226477    -12.60753390
  H     18.78407613      6.63074362     -6.72445847
  O     14.05988805      8.87420905     -6.41538209
  H     13.44894508      9.15750329    -13.31582254
  H     17.88566715      7.64055868     -7.47821882
  O     14.38843955      6.01508016    -12.52895432
  H     12.26196374     10.05946034    -13.72262025
  H     16.20464709      8.80792499     -8.41939426
  O     18.63523441      7.02947581     -7.57796345
  H     12.08007270      8.91119269     -9.95189224
  H     15.81380849      8.87812919     -6.93934174
  O     16.57953927      8.86922766     -7.52717606
  H     12.62005319      9.65572166    -11.20006317
  H     16.03937269      3.57037741    -14.51111462
  O     16.07056335      4.42292198    -14.08638859
  H     13.43799580     10.80001382     -8.99544058
  H     16.86145658      4.42746585    -13.51711159
          69
 Energy    -248.82671000861063     
  O     -5.59229130     -3.45972575     -6.49866090
  H     -6.27359464     -3.39143774     -5.81235360
  H    -11.29596732     -3.17277367     -6.78209027
  O     -8.68794767     -3.06580066     -0.85859700
  H     -5.35664924     -4.39504367     -6.51380937
  H     -8.14885586     -1.99789527     -4.77524156
  O    -11.83879748     -2.21759385     -2.74267002
  H     -9.38423221     -3.72216182     -1.00694281
  H     -8.58911233     -0.90252295     -5.78830226
  O     -6.95321462     -2.62594607     -8.73720623
  H     -8.92518371     -2.30449775     -1.40408883
  H     -5.21618106     -5.22929579     -2.99936263
  O    -11.55456278     -3.68195431     -5.16339013
  H    -12.59445306     -1.73990631     -2.40934392
  H     -3.83199806     -4.79185257     -3.51619263
  O    -10.42037888     -6.13087390     -4.21166268
  H    -11.06518751     -1.64811187     -2.59922017
  H     -4.86870859     -6.98583375     -6.34334907
  O     -6.02853218     -0.25847738     -3.53140544
  H     -6.36245784     -2.40335700     -9.45221485
  H     -5.04641357     -6.03650959     -5.13383856
  O     -4.80088894     -2.05945741     -1.74251609
  H     -6.39638531     -2.87364539     -7.98070965
  H     -4.64152995     -0.97985764     -4.68803008
  O     -8.22949940     -6.00016619     -5.87037521
  H    -11.68309969     -3.13135459     -4.38227513
  H     -4.51332761     -2.15631541     -5.69099579
  O     -9.00325501     -1.01576982     -7.51965569
  H    -11.21697446     -4.52904037     -4.84949182
  H     -8.95329940     -0.13728759     -1.98139654
  O     -2.77238343     -3.20148809     -3.34289059
  H     -9.63074746     -6.18121526     -4.77430486
  H     -9.16781869     -0.85377824     -3.33178788
  O    -11.10586360     -2.92554350     -7.70517552
  H    -10.84846006     -6.98218207     -4.27261018
  H     -7.29710765     -3.96893870     -1.60332840
  O     -8.32634288     -1.04894673     -4.87012803
  H     -6.39898188      0.27767683     -2.82005405
  H     -5.87064713     -3.50012702     -1.94556972
  O     -4.49897135     -5.48466063     -3.59506734
  H     -6.78500215     -0.49706669     -4.08728098
  H     -9.70467671     -4.12299362     -8.04660106
  O     -5.38394383     -6.25039505     -6.02343639
  H     -5.18709353     -1.45111701     -2.38990237
  H     -8.22728034     -4.02985594     -8.45557462
  O     -4.00660714     -1.56730472     -5.11619188
  H     -3.99519830     -2.41376205     -2.13694959
  H    -11.23884339     -3.91619310     -2.03857731
  O     -9.49869759     -0.79936973     -2.42121825
  H     -8.48582280     -5.59294313     -6.71492962
  H    -10.56393359     -5.21934444     -2.50815987
  O     -6.50685680     -4.21289099     -2.10354523
  H     -7.29347434     -6.22458660     -5.92807187
  H     -5.93419812     -1.60247589     -0.28941587
  O     -8.89586244     -4.64449362     -8.13078223
  H     -8.29614191     -1.45915989     -8.00359398
  H     -7.38968463     -1.98693632      0.05434137
  O    -10.72920617     -4.67586196     -1.72879525
  H     -9.77826876     -1.58506908     -7.61276513
  H     -7.91175092     -4.42992224     -4.98512274
  O     -6.71809847     -1.30575928      0.19262706
  H     -3.13180990     -2.60488003     -4.02464809
  H     -7.20942525     -3.85086697     -3.71464561
  O     -7.57182699     -3.62252494     -4.58099068
  H     -1.82531078     -3.09278793     -3.35087216
  H     -7.43222883      1.65751449     -0.80995549
  O     -7.46808861      0.83527399     -1.29084203
  H    -11.94544994     -2.87014748     -8.15312021
  H     -7.19168108      0.13469603     -0.67250877
          69
 Energy    -248.82650028287446     
  O     10.52592978     11.80823166    -10.23227748
  H     11.36524788     12.11301739     -9.84378600
  H     10.55701243     10.36332584    -16.83395823
  O     14.60979259     10.67358963    -12.75528420
  H      9.84908118     11.96341527     -9.57895400
  H     14.31137125     13.25935853    -14.54276125
  O     17.12041130     11.83726432    -15.17337644
  H     15.56630459     10.76824505    -12.68361688
  H     14.08641377     13.22548500    -16.06152381
  O     15.42680916      7.23798279    -12.28172698
  H     14.33137097     10.08288287    -12.04297574
  H     14.35324737     15.43956312    -10.91245825
  O     10.77016115     12.35253978    -12.97402954
  H     17.73468336     12.28530598    -15.74944077
  H     14.03137176     14.08637201    -11.59166536
  O     12.56344307     13.33014109    -17.14442368
  H     16.26481050     12.28963438    -15.28036184
  H     17.55677701      8.73486529    -14.38353004
  O     14.96848762     10.70469079     -8.91020362
  H     16.33115239      7.57641703    -12.29229120
  H     17.08707300      9.88965909    -15.29597513
  O     13.42851419     13.12687127    -12.92131987
  H     15.18847879      7.11943796    -13.20844205
  H     15.86812105     13.33875568    -10.51665306
  O     13.38992090      9.47215631    -14.93793100
  H     10.79815934     11.44582907    -13.31427000
  H     16.03975864     11.95800223     -9.85697534
  O     18.00621570      8.46964361    -12.54720101
  H     10.58237048     12.27694220    -12.03023644
  H     10.26382018      9.83890220    -14.73718767
  O     12.89696252     12.62782836     -9.22038836
  H     11.75924789     13.31362843    -16.59537492
  H     11.71644829      9.57273035    -14.28271731
  O      9.66005059     10.38034560    -16.45163594
  H     12.40871853     13.97145070    -17.83299895
  H     15.11327291      6.52752384    -15.77707107
  O     14.77078176     13.15403849    -15.38600540
  H     15.21674034     10.25944596     -8.10411115
  H     15.79365920      7.82249032    -15.26763942
  O     14.37997943     14.49592856    -10.78003180
  H     14.62534330     10.02120709     -9.51220220
  H     12.46099455     11.43447763    -17.34792750
  O     17.13957468      8.92895318    -15.23308703
  H     12.47834957     12.96132336    -12.97302280
  H     12.74355675     10.15613755    -16.52757951
  O     16.48594805     12.60458482    -10.41953974
  H     13.85047435     12.26098922    -12.80462211
  H     11.04086518      9.24770702    -12.14429212
  O     10.81859398      9.73283493    -13.95529245
  H     13.86920398      9.95848914    -14.25347666
  H     10.98569878     10.03142707    -10.81994013
  O     15.02573712      7.23483167    -15.14409731
  H     13.85205346      8.63279753    -15.05447030
  H     17.39335653     11.53388925    -13.34687768
  O     12.24188676     10.49710853    -17.28160820
  H     17.84353835      9.42162620    -12.42228577
  H     17.17072384     11.73574156    -11.78613609
  O     11.30127723      9.20970380    -11.21495545
  H     18.85306517      8.28065262    -12.15190359
  H      9.91956342     12.22534494    -15.94863590
  O     17.38983182     11.09938725    -12.48432233
  H     13.56885567     11.96263470     -9.02681812
  H     10.37873027     12.99354661    -14.69770140
  O     10.29399331     13.06646417    -15.65731017
  H     13.36100775     13.35142583     -9.65847366
  H     13.00736858      8.90066345    -10.84842825
  O     13.96433880      8.92941563    -10.69652495
  H      9.07973372      9.97466065    -17.08933623
  H     14.39983864      8.21956664    -11.19106394
          69
 Energy    -248.82630909514958     
  O      1.23257637     -0.57183210      3.18669010
  H      1.36570014      0.38395472      3.16577415
  H     -3.32965668      2.62971937      2.76651684
  O     -4.01607696     -0.15504769     -2.16846700
  H      1.32934805     -0.89583522      2.27696113
  H     -2.34246049     -0.01822871      6.02211838
  O      0.36832513     -1.94696022      5.43417391
  H     -3.77909721     -1.08336279     -2.28591380
  H     -0.85928748     -0.51877425      5.91617794
  O     -6.33854081     -0.19916148     -0.76366876
  H     -3.22395456      0.28111232     -1.82896834
  H     -2.59160374      0.76895989      2.05721040
  O     -3.42305958     -2.96681184     -2.05890947
  H      0.74899193     -1.51127289      4.65342768
  H     -4.06329214      0.83087195      1.57077052
  O     -1.24631704     -1.96787045     -0.59043657
  H      1.10318844     -2.27236841      5.94873619
  H     -1.68250102      0.00544155      4.01904174
  O     -4.46440737     -3.19967831      5.13157542
  H     -7.04430337      0.14422790     -1.30492156
  H     -0.59567363     -0.31425009      2.97878801
  O      1.17930281      2.25455684      2.85927443
  H     -5.51788564     -0.10169295     -1.27951713
  H     -5.39787492     -2.98472734      0.61890474
  O     -1.74648716      0.78891767     -0.77796517
  H     -4.16374393     -3.04262930     -1.43120680
  H     -5.94997394     -2.07802914     -0.49641817
  O     -5.63178880      1.28015725      4.38319858
  H     -3.53910155     -3.65812070     -2.70512033
  H      0.47879234     -1.56503911      0.09665021
  O     -4.03388275     -0.49008052      5.94732827
  H     -1.43309069     -1.01990059     -0.66034435
  H      1.16130127     -0.19161867      0.24409650
  O     -3.42399300      3.05038484      3.63131060
  H     -1.89017009     -2.41232909     -1.15563849
  H     -0.96873504      1.92471723      5.17431794
  O     -1.42689102      0.25728349      5.85341955
  H     -3.51602327     -3.37997485      4.99711315
  H     -1.71551318      2.93526338      4.28360018
  O     -3.19769087      1.24511434      1.46745438
  H     -4.79228964     -3.87971033      5.71412291
  H      0.86916041      1.95633245      1.06097197
  O     -1.54915375     -0.21410766      3.08832968
  H      0.41986452      2.42678631      3.44686552
  H      1.35449795      2.33262882     -0.35358048
  O     -5.53059465     -2.93230234     -0.33637678
  H      1.87908749      2.83072686      3.15651395
  H     -1.84409135     -3.43859417      3.60644364
  O      1.22003931     -1.11422958      0.52107403
  H     -2.31257268      1.01253814     -0.02131984
  H     -1.08528820     -3.08717970      4.90276799
  O     -0.83180180      2.67306364      4.57800653
  H     -0.88943341      1.18682619     -0.59191522
  H     -1.82641941     -2.51920308      1.05558050
  O      0.79824618      1.71998515      0.12308388
  H     -6.49681934      1.61331667      4.61095234
  H     -2.00671743     -1.77452431      2.39743154
  O     -1.83666637     -3.58596039      4.56245021
  H     -5.71964048      0.85398070      3.51503520
  H     -3.93244615     -2.66980297      2.15988371
  O     -2.16850480     -2.62056888      1.95157295
  H     -4.61898716      0.10229858      5.45948621
  H     -4.91678357     -2.88304270      3.32707704
  O     -4.87271722     -2.63608941      2.39613452
  H     -4.26429538     -1.39000688      5.68896438
  H     -5.41105769     -0.93476376      2.13616757
  O     -5.65943208     -0.01876279      1.94164638
  H     -4.15674212      2.58178923      4.04550363
  H     -6.00217139     -0.00468534      1.03896158
          69
 Energy    -248.82616824987161     
  O     16.65495504     11.14085201    -11.07293293
  H     15.83028089     11.17877927    -11.57766406
  H     17.22383972      7.13868186     -8.59483822
  O     12.46905070     11.39114089    -10.57585603
  H     17.30191569     10.74632588    -11.66649279
  H     19.69473633      6.98414631    -13.86142223
  O     14.15675304      7.73222420     -8.57229055
  H     13.09499851     11.38996946    -11.31090080
  H     18.53319779      7.03931846    -14.86657635
  O     16.10211796      5.73258588     -8.12563532
  H     12.96833907     11.58931649     -9.77512725
  H     19.35280607      8.82397709    -11.43463825
  O     12.10946357      9.38690290     -7.53649226
  H     14.74193648      7.00109394     -8.34219558
  H     19.11907453      8.11689318    -10.08437005
  O     10.68363908      9.42932922    -10.03272090
  H     14.71812924      8.50751182     -8.71448173
  H     13.52678275     12.28430531     -7.30351860
  O     16.26730075     10.65995385    -14.75434494
  H     16.18009619      5.11456055     -7.40445484
  H     13.06657862     10.85862674     -7.69562755
  O     16.96845557      5.99870602    -15.21120209
  H     15.99346962      5.20572428     -8.93934801
  H     12.97315763      7.35583902     -9.86579427
  O     14.33393068     10.97694496    -12.65873517
  H     12.76013594      8.69717352     -7.72647678
  H     11.63437984      7.88458502    -10.43842082
  O     16.49201859      7.61170877    -11.56160945
  H     11.48327432      9.36170075     -8.27086235
  H     17.43597148      8.83638163    -12.48707258
  O     17.41330816      5.17622967    -12.55405167
  H     11.28891616     10.14972154    -10.28810687
  H     18.54980166      8.89771952    -13.56021767
  O     17.63345138      7.91479962     -8.99900586
  H      9.80217743      9.72313078    -10.24506714
  H     20.04439287      6.71537488    -11.70192571
  O     19.26025123      7.56070792    -14.50237145
  H     16.93645735     10.29676830    -14.15215735
  H     20.94157401      5.51440156    -12.08419241
  O     19.74444684      8.19686653    -10.81904503
  H     16.72843951     11.24199693    -15.35375152
  H     15.49849610      8.91720933    -15.11747845
  O     13.66154661     11.58922614     -7.94197741
  H     16.29545254      6.70197567    -15.17506055
  H     14.62981879      8.00432975    -14.23780023
  O     12.31439000      7.21153716    -10.56318355
  H     16.79327068      5.49326501    -16.00042866
  H     12.73940700      5.50218519    -11.03170311
  O     18.03381489      9.44573659    -12.94896552
  H     14.13717301     10.02903080    -12.58583605
  H     12.38788108      4.10614976    -11.56470627
  O     20.11312728      5.94004170    -12.28721726
  H     14.84295206     11.07193786    -13.47121002
  H     16.32617361      4.49227393    -11.17219473
  O     15.17647158      8.01243950    -15.03579321
  H     16.82514868      7.70657818    -10.66143784
  H     14.84166449      4.40364104    -10.72838903
  O     13.11596963      4.63597128    -11.24947790
  H     16.76468290      6.74059251    -11.87923376
  H     13.33349760      7.87721208    -11.93790612
  O     15.75384062      4.36901963    -10.40580997
  H     17.21789446      5.33643727    -13.48686898
  H     14.86748723      8.00989540    -12.12230084
  O     14.01203719      8.24935784    -12.51177623
  H     18.36263476      5.31667945    -12.43732099
  H     15.18107719     10.60081309     -8.36817847
  O     15.81708217      9.98707584     -8.75398315
  H     17.10722240      8.68635652     -8.74380635
  H     16.15184202     10.41232021     -9.55927778
          69
 Energy    -248.82576181265782     
  O     16.78376192     10.21078072     -9.18203456
  H     17.06458325      9.36226966     -9.56460298
  H     15.25196639      5.42584843    -15.55723879
  O     17.04206615     10.42151872    -15.25451531
  H     17.42853352     10.43478586     -8.51547411
  H     16.66511170      5.99075985    -14.24413807
  O     17.27617525      8.76682319    -13.06381203
  H     16.87831554     11.25850798    -14.80104089
  H     18.10518647      6.13255781    -14.81591976
  O     16.27712205     12.67694544    -13.76880246
  H     16.19025672     10.12758948    -15.60838423
  H     14.43535245      8.31084800    -11.82089050
  O     14.59127732      7.17068656    -10.41875327
  H     17.32422939      9.38348834    -13.80484330
  H     15.47546130      8.93121412    -12.78919057
  O     14.54014944      9.63388014    -16.31502988
  H     17.43316757      7.88056011    -13.42297835
  H     14.00825035      8.67518122     -9.36299236
  O     13.79936190     11.93455776    -15.03136228
  H     16.65256627     13.55317173    -13.73720731
  H     14.94519847      9.80718273     -8.91685649
  O     16.08492015      5.63436560    -17.14125924
  H     16.09821399     12.41914233    -12.84736657
  H     14.15887990      3.99291638    -11.91739350
  O     10.89582455      9.09931259    -14.23084991
  H     15.54072784      7.34627492    -10.34715115
  H     14.72891452      4.99763255    -12.93665024
  O     17.47722674      5.27725870    -11.35757494
  H     14.50432486      6.32603841    -10.87808478
  H     12.53547178     11.23181031    -11.90887608
  O     13.24575620      7.73981273    -14.73023565
  H     14.07052429      8.93977879    -15.83331697
  H     13.29622526     10.16372462    -12.71238555
  O     14.91410209      5.54976886    -14.65749535
  H     14.20143112     10.48251952    -15.99267331
  H     19.68241577      5.90325894    -16.85879553
  O     17.57937131      6.20257905    -14.00957289
  H     14.60174055     12.31101593    -14.65025754
  H     18.71336856      7.10542653    -16.73750506
  O     14.53020046      8.86734468    -12.60476816
  H     13.26939364     11.64541861    -14.27631070
  H     17.53667828      6.93259266    -10.60586501
  O     14.01237685      9.56611769     -8.99261684
  H     15.86522366      6.45026883    -17.60768354
  H     17.40829123      8.28742313    -11.33951950
  O     14.66620071      4.79833935    -11.98830823
  H     17.04161929      5.66125423    -17.01838469
  H     15.22198141      8.76979383    -17.69132690
  O     12.56274247     10.79639843    -12.76838137
  H     10.21157276      9.58096759    -14.68931596
  H     15.29954411      8.44504773    -19.19995317
  O     18.84353162      6.17072204    -16.49445825
  H     11.35547780      9.75096794    -13.67754844
  H     14.79483023     12.02698412    -10.90096334
  O     17.34855879      7.87175219    -10.46515279
  H     16.57391975      4.94632592    -11.41681494
  H     16.16717606     11.42055382    -10.57034416
  O     15.68212578      8.22655213    -18.35397683
  H     17.70741205      5.50483086    -12.26984711
  H     18.00439937      9.38420681    -16.51947182
  O     15.71241767     11.99496099    -11.19661164
  H     12.33621674      8.05932908    -14.65659343
  H     17.43326451      8.59089536    -17.70846086
  O     18.23121468      8.71546863    -17.17796740
  H     13.71737762      8.09334605    -13.95910402
  H     12.57125285     12.32989255     -9.54600674
  O     13.00981285     11.78362078    -10.19244283
  H     14.25296158      6.25449727    -14.71627687
  H     13.27526418     10.96585101     -9.73415538
          69
 Energy    -248.82575912752617     
  O     15.83240983     10.90212115    -15.80403314
  H     15.23799382     10.43503532    -16.38480162
  H     18.77753023     11.20390186    -17.08219377
  O     19.01769368     14.24556664    -16.97930849
  H     16.58587255     11.19536913    -16.34974534
  H     16.89374321     11.23160640    -10.32506721
  O     21.88761468      9.24296235    -14.26350999
  H     19.92409802     13.99550507    -17.19715471
  H     16.96006358     11.10510940     -8.78406033
  O     18.85397801     13.60642661    -10.46335801
  H     19.08527781     14.79306502    -16.18797662
  H     20.21193382     18.31613777    -12.37349107
  O     19.89960975     10.02418325    -10.37822160
  H     21.14500392      8.92577809    -13.71557745
  H     20.26626816     16.93101978    -11.68678350
  O     15.99520351     11.04309295    -11.79445364
  H     22.52589348      8.53600658    -14.29261436
  H     20.51424833     12.84713140    -10.53806877
  O     20.47407212     10.83840822    -16.17739179
  H     18.34627535     12.90297225    -10.04059764
  H     22.01230097     13.17357777    -10.35615333
  O     22.02907188     14.13974331    -14.67962865
  H     18.45258234     13.76169527    -11.33093889
  H     16.87533971      9.88809546    -14.49945969
  O     20.28360242     15.99801085    -10.21133544
  H     20.53732340     10.74504722    -10.31404243
  H     18.13013217     10.38804975    -13.76131121
  O     21.93055844     11.85329850    -13.16985913
  H     19.06781057     10.38560731    -10.04993240
  H     22.12958690     12.89157555    -18.06055482
  O     15.41105148     12.93655090    -13.94805720
  H     15.68457757     11.74895592    -12.36991782
  H     21.29066781     12.23918911    -16.93574315
  O     17.95990943     11.69479072    -17.21914719
  H     16.46971359     10.43361827    -12.37727965
  H     22.71089993     15.35566619    -13.46013383
  O     17.47175161     11.35004617     -9.55020746
  H     21.00638513     10.18204099    -15.71368491
  H     22.11301222     16.56394616    -12.71731147
  O     20.36500443     17.39017554    -12.54050878
  H     19.94033779     11.25907248    -15.48340763
  H     19.77396704     16.25534538    -13.89118889
  O     21.39909805     12.45207247    -10.54401642
  H     22.04497385     13.86501433    -15.60365936
  H     20.41489834     15.00522580    -14.53211078
  O     17.45742713      9.68658622    -13.75916938
  H     22.05430335     13.33019906    -14.14708343
  H     22.97149815     15.19340064    -11.14353436
  O     21.65027419     13.08307902    -17.25874890
  H     21.17264171     15.65282649    -10.06569301
  H     23.70364525     15.05909197     -9.78776291
  O     22.86043613     15.95397665    -12.71546538
  H     19.69774676     15.22900263    -10.18917118
  H     18.94027012      8.69161607    -13.06344473
  O     19.58843407     15.50704303    -14.47279238
  H     22.06476972     10.92870322    -13.41014119
  H     19.85992916      8.98240434    -11.85404785
  O     22.90932336     14.80775910    -10.25113310
  H     21.84246906     11.94054189    -12.21017563
  H     20.12831812     11.80871460    -13.52018022
  O     19.82206880      8.52752450    -12.70947090
  H     14.58897772     13.37330002    -14.15860821
  H     18.76098088     12.55158435    -13.58639764
  O     19.24058351     11.77580976    -13.89876829
  H     15.53682239     12.24527645    -14.61774699
  H     16.98732108     13.77981179    -13.39121163
  O     17.84122400     13.98866113    -12.99448618
  H     18.20601129     12.63098560    -17.16843865
  H     18.33331291     14.59186415    -13.57048411
          69
 Energy    -248.82546986464484     
  O     11.46723815      9.16384481    -12.90020531
  H     11.69192687      8.98781926    -13.82516424
  H     14.61510313     12.01339114    -14.98810682
  O     16.55114191      6.64726064    -14.60537183
  H     11.75906213     10.06567561    -12.72680974
  H     14.07490267      8.78707661    -14.59197182
  O     17.36404736      9.67497355    -11.16467376
  H     16.31200071      5.87951870    -14.07224289
  H     15.42325896      8.06154999    -14.30243158
  O     16.28185762     11.20838075    -14.85344391
  H     17.28565553      7.08399424    -14.15257128
  H     11.80999412      7.74660852    -11.96613049
  O     12.75622216      5.94479901    -16.09535247
  H     16.44940316      9.94364635    -11.34043628
  H     11.22088109      6.62637403    -11.08038028
  O     14.70545206     10.13302365    -11.73273230
  H     17.32011940      9.05376854    -10.42838775
  H     17.45443271      6.40118599    -10.54935383
  O     15.55761528      9.35280206    -17.84430646
  H     16.82025185     11.02848730    -15.63267011
  H     18.17603359      6.50643555    -11.90800717
  O     15.90923585      4.56128994    -12.80117112
  H     15.83227149     10.37748506    -14.63578167
  H     14.14520775      5.08881543    -13.18077429
  O     18.09906662     10.37435894    -16.87692924
  H     12.17069467      5.27410317    -16.43560196
  H     12.87961527      5.89682287    -12.79813756
  O     15.32275394      6.71463086    -17.11627173
  H     12.94782971      5.70703489    -15.16919953
  H     17.62383414     11.52784861    -13.60270908
  O     19.84948981      9.89645709    -14.72882597
  H     14.75054341      9.61355261    -12.55161493
  H     18.16665829     10.98816036    -12.26384494
  O     13.66238240     12.15959623    -15.06880998
  H     14.02836124     10.80209499    -11.88027105
  H     18.06571374      8.58253930    -12.48357567
  O     14.92699418      8.87402898    -14.14689729
  H     16.44697596      9.61149879    -17.58709140
  H     19.03373602      8.50401375    -13.68824922
  O     12.02872783      6.92467627    -11.49045620
  H     15.48430584      8.40331034    -17.65908716
  H     16.86460243      7.57992048     -8.33219217
  O     17.74487700      5.88239809    -11.31058602
  H     16.53298392      4.99175650    -12.19028479
  H     15.86586858      7.66699420     -9.51212105
  O     13.29285193      5.39539039    -13.51179439
  H     16.18381991      3.65028409    -12.87018644
  H     12.80690136     10.78134652    -18.21300166
  O     18.42552811     11.46482716    -13.06305195
  H     18.57697629     10.91547268    -17.50258064
  H     14.05679319     10.13759105    -17.56720159
  O     18.47722850      7.97038370    -13.11136952
  H     18.73952540     10.11673928    -16.19651809
  H     13.51624475      7.48030916    -10.45836915
  O     16.81265277      7.61482670     -9.28317351
  H     15.85763648      6.63319952    -16.31448006
  H     14.34236054      8.76746824    -10.56628329
  O     13.18099025     10.52170491    -17.37572340
  H     14.44797363      6.38921987    -16.87443223
  H     12.93672987     11.95314931    -13.49833147
  O     14.25835505      7.94731495    -10.05950708
  H     19.42132151     10.52321984    -14.11518167
  H     12.19776354     12.59765023    -12.30362758
  O     12.60118052     11.78619434    -12.59916966
  H     20.79094498     10.01852557    -14.63862865
  H     12.59805128      9.24911753    -16.18076021
  O     12.44435761      8.64183850    -15.44583677
  H     13.40300775     11.69228291    -15.87127358
  H     12.47904196      7.73660448    -15.78141411
          69
 Ord_Energy   -248.825439    
 O   -2.09145498      -1.92122960     -0.566562533    
 H   -1.31811535      -1.63974369      -6.09976798E-02
 H   -2.28228784      -1.20691049      -1.18400562    
 O   -2.52830243      -2.12805367      -4.17714405    
 H   -1.63009620      -2.35364795      -3.88785005    
 H   -2.76516318      -1.33494258      -3.68622136    
 O    1.80017674       2.75718641      -4.76616764    
 H    2.00228930       3.63531351      -4.45511484    
 H    2.58365655       2.20529318      -4.57700443    
 O    4.19197369      -3.42234945      -1.45110023    
 H    5.06307220      -3.73580456      -1.22269511    
 H    3.72467208      -4.17035389      -1.86707497    
 O   -1.50473607      -4.48141050      -1.40270901    
 H   -1.85959709      -3.64754176      -1.05908298    
 H   -2.00877881      -4.74479389      -2.18723226    
 O   0.318158239     -0.476126522      -6.10471725    
 H    1.90739892E-02  -4.55211699E-02  -5.29396152    
 H   0.672909796      0.221931636      -6.66956139    
 O    3.45971441      -1.23433816      -3.04708672    
 H    2.63922405     -0.962886155      -2.61086941    
 H    3.82010889      -1.95738769      -2.51978397    
 O    3.92407656       1.17154312      -4.41486788    
 H    4.10702515      0.831671596      -5.30288839    
 H    3.89481115      0.395547539      -3.84126210    
 O    1.57433069       1.69884789      -7.35438251    
 H    1.38305116       2.35132837      -8.02368546    
 H    1.64759207       2.17220592      -6.51036453    
 O   -1.49362804E-02  -2.85504651      -3.13504219    
 H  -0.454512656      -3.43359280      -2.49780273    
 H   0.530395985      -3.41359663      -3.70234799    
 O   -2.60047197      0.190129280      -2.56666780    
 H   -1.81758201      0.572497189      -2.99511123    
 H   -3.22216749      0.904231012      -2.44714403    
 O   0.994896233     -0.627879858      -1.96790326    
 H   0.819543839     -0.675263405      -1.02133930    
 H   0.636043489      -1.44045508      -2.36340213    
 O   -1.50116599      -2.53317952      -6.72188425    
 H  -0.830779493      -1.83923531      -6.68775082    
 H   -2.06219339      -2.35719442      -5.95314837    
 O    2.72867274      -5.42871618      -2.49066710    
 H    2.31347609      -5.22198200      -3.33957958    
 H    2.01767230      -5.64088106      -1.87406182    
 O  -0.889975071      -5.11731911      -6.18029356    
 H   -1.08000827      -5.68632555      -6.92165375    
 H   -1.10517347      -4.20967817      -6.46202850    
 O   0.711790562      -5.72591400     -0.479298621    
 H  -0.128184557      -5.33850193     -0.781470418    
 H   0.490118235      -6.51745558       4.19599982E-03
 O    1.97091651      -3.31982279      0.368972987    
 H    2.76611066      -3.27544045     -0.174979836    
 H    1.55661881      -4.16817236      0.167329207    
 O   0.370811790      -1.18148255      0.693724155    
 H   0.947660983      -1.96582127      0.635651946    
 H   0.514149308     -0.797874033       1.55424654    
 O   -2.67408061      -4.91775274      -3.85384893    
 H   -2.09612727      -5.14837265      -4.59016037    
 H   -2.88488722      -3.98247409      -3.98365951    
 O    2.55328488      -2.08703804      -5.58100653    
 H    1.75714779      -1.55912781      -5.73733330    
 H    2.91065216      -1.81458366      -4.72349501    
 O  -0.219251439       1.02698839      -3.74121428    
 H   0.265031844      0.507017851      -3.07853222    
 H   0.383684933       1.71345377      -4.04890966    
 O    3.95124722       2.46530995E-02  -6.96159601    
 H    3.20573735      0.538940609      -7.29138041    
 H    3.57836890     -0.810415387      -6.64901161    
 O    1.47739244      -4.51708460      -4.80497980    
 H   0.733540356      -4.80059338      -5.35171556    
 H    1.91556978      -3.76953769      -5.23738909    
          69
 Energy    -248.82539855603170     
  O     15.05078351      9.73546671    -16.59417601
  H     14.96451316      9.10273819    -17.32283958
  H     20.36833940      4.00230404    -16.51291126
  O     13.07451599      3.83100976    -15.85243384
  H     14.71626218     10.56791921    -16.92365606
  H     17.58555185      6.51133567    -16.48808874
  O     17.94584575      6.08527474    -11.93376836
  H     12.20470732      3.51279515    -16.08211646
  H     18.91119941      7.29100389    -16.66331577
  O     16.36442037      5.80250918    -18.84676581
  H     13.12444308      4.75569929    -16.15524433
  H     15.25777651      6.18052307    -15.86885326
  O     13.96168874      6.69455598     -9.68957514
  H     18.75906529      6.11488713    -12.45638333
  H     16.38234382      5.22002049    -15.37685719
  O     13.87768098      4.53861451    -13.21509730
  H     17.36526351      6.76401678    -12.30816084
  H     13.18196424      8.17770068    -13.97420047
  O     16.23755979      7.78173403    -13.25494067
  H     17.19129212      6.02334555    -18.40136717
  H     13.74358769      8.98817955    -15.18295574
  O     17.13397050      3.52339418    -15.25127088
  H     16.04747335      4.97558831    -18.45341749
  H     14.84763701      3.20939115    -10.13638470
  O     13.32412432      4.00918032    -10.49743758
  H     13.76748313      7.17384999     -8.88872696
  H     15.74332748      2.11770042     -9.50047401
  O     19.72865208      8.53940218    -15.56654396
  H     14.88686664      6.39689758     -9.62077052
  H     13.75820002      6.83448665    -17.38668048
  O     15.46762401      3.52229199    -17.48597674
  H     13.60642535      4.20212314    -14.07659090
  H     13.19231259      7.09818163    -15.96136374
  O     19.71785386      4.39175307    -15.93402857
  H     14.80188065      4.28820247    -13.07721389
  H     19.96102791      7.08485138    -14.29200745
  O     18.39768588      6.55351457    -17.01707887
  H     16.23795149      7.21695820    -14.04467736
  H     20.01629989      5.55475170    -14.40494368
  O     16.12983187      6.14976719    -15.45903321
  H     15.35445667      7.70476041    -12.87349225
  H     17.05065713      4.57975151    -12.37575674
  O     12.99535393      8.46273268    -14.87922567
  H     18.07491964      3.68173096    -15.39766721
  H     16.34667233      3.34296091    -11.75692262
  O     15.76807440      2.90719130    -10.03355938
  H     16.98757318      3.45257000    -14.29755643
  H     16.36259240      4.71025331     -9.59647709
  O     13.48882450      6.40236669    -16.56889349
  H     13.33484037      4.11139878    -11.45909206
  H     17.10470042      5.87521224    -10.28108105
  O     19.99672327      6.27665825    -13.76619079
  H     13.37729541      4.90483935    -10.14102906
  H     15.30496557      7.13867842    -18.79269118
  O     16.52758183      3.79298996    -12.59071985
  H     18.90730400      9.00659572    -15.32738091
  H     14.29213053      8.03186401    -19.54490067
  O     16.47623877      5.66803016     -9.57607496
  H     20.40122701      9.20572640    -15.67653418
  H     13.68173516      6.30309663    -12.75976766
  O     14.65841465      7.86045706    -18.68142279
  H     16.10499451      3.34899917    -16.77900390
  H     13.67345260      7.15969497    -11.47018387
  O     13.66052914      7.21542545    -12.43364249
  H     14.60990996      3.48829915    -17.04920411
  H     16.63553332      9.74201738    -15.56191409
  O     17.36320082      9.65770216    -14.93471223
  H     19.30787406      5.12605245    -16.42279545
  H     17.00882015      9.12897087    -14.20515571
          69
 Energy    -248.82509453114679     
  O     15.95091597      8.88755872    -15.74124792
  H     16.36770006      8.95518078    -16.61145114
  H     18.16178316      6.54578317    -16.33558672
  O     13.56963904      5.74802621    -17.74184043
  H     16.55068991      9.28203616    -15.09563939
  H     17.12080852      6.16457646    -14.30117693
  O     17.75420755      5.91750980    -12.55122975
  H     12.71514966      5.68421911    -18.15917568
  H     16.37552695      7.11713585    -15.29586552
  O     18.36117552      4.70313713    -18.63552188
  H     13.49040648      6.41764638    -17.03817789
  H     14.24475927      8.17586924    -15.79520959
  O     12.43726035      6.20950152    -10.67711038
  H     17.40163195      5.02682360    -12.41944528
  H     13.46873600      7.28554713    -14.81483580
  O     14.33475862      4.08551545    -13.57397290
  H     18.69867743      5.82452961    -12.72464574
  H     16.03462487      3.62606176     -8.85933014
  O     16.15048571      8.01533876    -12.02980356
  H     17.52187392      5.11453319    -18.89398924
  H     15.62567238      4.83413420     -9.73265954
  O     18.84121668      3.28040646    -14.28076031
  H     18.13649900      3.95580729    -18.07047467
  H     14.63003726      4.56872746    -16.79436225
  O     13.20799478      3.62753328    -11.03442896
  H     11.55987937      6.31136374    -10.31950125
  H     15.81384251      4.90410831    -15.85321302
  O     19.76736008      7.94692627    -14.62096732
  H     12.59950145      5.25285459    -10.76536282
  H     21.15557136      5.06914107    -13.09150456
  O     17.49868580      2.67708602    -16.73750290
  H     14.53149827      3.97525850    -14.51246691
  H     19.87582781      4.62336511    -13.83381497
  O     18.83743851      6.80488887    -16.98023830
  H     14.19283985      5.03278290    -13.43247226
  H     15.88959548      3.53906367    -12.81532482
  O     16.76708830      6.23949987    -15.19539586
  H     16.59334627      8.73066141    -12.49676119
  H     16.49732591      3.39335779    -11.40188441
  O     13.50104611      7.56079765    -15.74022768
  H     16.74809482      7.25429048    -12.12352357
  H     14.19402010      6.53596906     -9.97171392
  O     15.77525888      3.87195314     -9.74336405
  H     18.14445452      3.13167430    -13.62875943
  H     15.52509937      7.16629578    -10.41898212
  O     15.26847121      4.17283480    -16.18876723
  H     18.46431436      3.06012826    -15.14066085
  H     15.17547962      6.08061619    -18.72612098
  O     20.33504925      5.39403623    -13.45221695
  H     14.02270753      3.54950298    -10.52280523
  H     16.31219991      7.10427373    -18.90106677
  O     16.71755214      3.36785966    -12.34225954
  H     13.48143260      3.61134847    -11.96231393
  H     14.60810351      7.28049000    -12.74804477
  O     15.14437097      6.53168336     -9.79981726
  H     19.60145331      7.66382658    -15.53108572
  H     13.24129698      6.70339241    -12.29580243
  O     16.03958109      6.21007814    -19.13407419
  H     20.08550960      7.15259304    -14.17635183
  H     18.52130638      9.04209173    -14.02118902
  O     13.82795411      6.79928952    -13.05642019
  H     16.64906143      3.12401422    -16.58517469
  H     18.20005510     10.47986637    -13.55872254
  O     17.79770149      9.63816084    -13.75737722
  H     17.29420329      1.78928818    -17.02218537
  H     17.73480391      9.22431078    -18.83890741
  O     17.27677343      8.69359023    -18.19222203
  H     18.87641691      6.07408500    -17.61450034
  H     17.92820922      8.06903459    -17.82735857
          69
 Energy    -248.82500965342649     
  O     15.10104510     11.46027398    -10.42545709
  H     15.75649652     11.46713001    -11.13710663
  H     16.55310602     10.31468664    -15.82105742
  O     14.98727622      7.65892464    -15.15101644
  H     15.43741132     10.83963115     -9.77001975
  H     18.14109592     10.18503073    -11.22623480
  O     15.00244740      5.20638832    -11.26109522
  H     15.13267527      6.74688801    -14.86677171
  H     18.58381319      8.71309415    -11.04565240
  O     18.38635451      7.05420444    -11.99068116
  H     14.08168796      7.90304371    -14.91473949
  H     16.91035108      7.95335182    -12.54604547
  O     15.89763862     11.89400567    -14.96368699
  H     14.84724593      6.10680528    -10.93914173
  H     15.78559687      8.22656479    -13.61086060
  O     10.87629610      6.18443430    -11.92584618
  H     14.15297265      4.74846542    -11.25785860
  H     13.49311992     11.43857931    -11.04307188
  O     12.47168614      8.42993814    -14.30951921
  H     18.55036113      6.58168283    -12.81533721
  H     12.10574845     12.12280774    -11.09712864
  O     14.69864626      7.84705948    -10.51740589
  H     18.18115820      6.37719956    -11.32817434
  H     13.90530143      4.49368596    -14.35519859
  O     19.01366801      7.94257794    -15.74259818
  H     14.99703351     11.62436911    -14.70735291
  H     12.80713301      4.04211634    -13.37524972
  O     11.00707844      6.09782066    -14.79730501
  H     15.80777592     12.70414560    -15.45839204
  H     13.13071468     11.28702010    -13.27822172
  O     18.40790306      5.65368811    -14.45202246
  H     11.23044440      7.05288512    -11.69106974
  H     13.05083652     10.23571507    -14.39709969
  O     16.81687760      9.46627482    -16.19373037
  H     10.75020236      6.19436725    -12.88270887
  H     17.63730590      4.58549567     -9.46231769
  O     18.42328376      9.53680464    -10.56715984
  H     12.41373709      8.46799905    -13.34415137
  H     16.65462315      4.97990839    -10.57935539
  O     16.11651860      8.47212772    -12.73914461
  H     11.89561507      7.70818437    -14.59022543
  H     16.58154997      5.25490960    -14.17991049
  O     12.60775557     11.39234433    -11.44806582
  H     15.14650810      8.12330397    -11.33463861
  H     15.49192029      5.22322544    -13.06798473
  O     12.96546400      4.27951672    -14.29746196
  H     15.16871776      8.28595497     -9.79910800
  H     11.86791888      4.80748556    -11.56120344
  O     13.42410801     11.09821214    -14.17770054
  H     18.25469947      8.51815849    -15.93979465
  H     11.99067022      3.36911463    -11.00318165
  O     17.58034560      5.04679119    -10.29477936
  H     19.78392420      8.50298199    -15.78022347
  H     12.22520511      9.57090423    -11.44188510
  O     15.63100860      5.19270805    -14.02495187
  H     11.71356219      5.43294991    -14.70814375
  H     13.05409354      8.31450452    -11.08779375
  O     12.46876520      4.04495740    -11.47563390
  H     10.41930905      5.78627880    -15.47990165
  H     16.62633149      9.46122217     -7.92770741
  O     12.23909985      8.60871736    -11.51944401
  H     18.61494743      6.45078741    -14.97273264
  H     17.12030165      9.42775433     -9.39197961
  O     16.32535209      9.39587327     -8.82970671
  H     19.01397914      4.97475434    -14.73770664
  H     16.75498903     11.51284370    -13.31144658
  O     16.96585259     11.07293741    -12.48039096
  H     16.11105961      8.84179171    -15.97208792
  H     16.64256150     10.16377339    -12.58989528
          69
 Energy    -248.82452506662844     
  O     11.03840186      9.85998167    -15.82825332
  H     11.09601513     10.58839442    -15.19311198
  H     17.17852040      7.05406508    -14.61247229
  O     15.38432584      7.79591323    -11.36683420
  H     11.14780831      9.04781929    -15.32152161
  H     19.19222113      9.49282966    -14.52208468
  O     16.43475896     11.74197906    -14.20403941
  H     15.82972239      7.51302973    -12.17561702
  H     19.35628510      8.35088548    -15.53708704
  O     12.49286299     10.68262606    -17.96225385
  H     15.86614159      8.56837685    -11.04668190
  H     16.26123702     11.02505581    -10.92627309
  O     14.04348481     10.34755738    -14.29435227
  H     17.03959986     11.04735679    -13.90475095
  H     17.11716931     10.43864270     -9.78288985
  O     13.53296795     14.38973250    -12.02564344
  H     16.48426403     11.76826701    -15.16854959
  H     15.88986116     10.71600804    -17.17816580
  O     12.98969484      8.83464594    -12.19670387
  H     11.95233934     10.34877044    -17.22419617
  H     17.30024297     11.35042794    -17.23590310
  O     12.86546444     14.36969722    -14.81893045
  H     11.91084585     10.75902118    -18.71403808
  H     11.90336837     11.82788175    -13.13234037
  O     17.49355272      8.22512376    -18.11930462
  H     14.85352253     10.86908795    -14.25468058
  H     11.97161899     12.80954886    -14.33903821
  O     12.63814694     11.54139854    -11.47905655
  H     13.29915415     10.95302015    -14.39267037
  H     11.02171747      6.84759205    -13.90019446
  O     18.37891664      6.75679026    -16.00983045
  H     12.84474550     13.81738634    -11.67450729
  H     12.00811289      7.92852218    -13.40488016
  O     16.53244211      7.39455210    -13.98040848
  H     13.36502050     14.44833460    -12.97610639
  H     14.83790391     12.58991179    -16.91545288
  O     19.62315626      9.26065044    -15.35509692
  H     13.73492059      8.36996122    -11.78863158
  H     13.38233479     12.20907761    -17.23209233
  O     16.76328659     10.24126645    -10.64680431
  H     13.38495807      9.40658921    -12.87256472
  H     17.41731359      8.87778032    -13.43449673
  O     16.39068782     11.51429481    -16.95727580
  H     13.30976424     13.89164310    -15.54201821
  H     17.69407371      9.83083658    -12.23916528
  O     11.70813233     11.91906982    -14.07619318
  H     12.50085349     15.16274962    -15.20425359
  H     14.92150834     13.22037050    -11.73290114
  O     11.61330963      7.53269049    -14.20056252
  H     18.01952407      9.03419137    -18.11143008
  H     15.79194193     12.28489813    -12.60484934
  O     13.92629862     12.89264384    -16.82228497
  H     16.56984393      8.50860601    -18.12394202
  H     14.66741063      8.63988313    -16.97041039
  O     17.91839030      9.66162837    -13.16178440
  H     12.58629951     10.57690841    -11.46281891
  H     14.08266762      9.69808074    -17.92782510
  O     15.40543078     12.38325602    -11.72227097
  H     13.58158654     11.74268072    -11.54671323
  H     19.74914758     11.00713774    -18.01020046
  O     14.89845082      9.23644116    -17.69685373
  H     18.76520238      5.93966625    -16.31348255
  H     19.26469071     10.20838382    -16.77606644
  O     18.97144332     10.64075607    -17.59846602
  H     18.02805740      7.21137570    -16.79678814
  H     13.32546248      7.50982451    -15.13691508
  O     14.17374069      7.88385613    -15.39712966
  H     15.70290348      7.48919061    -14.46852695
  H     14.15575732      8.79978454    -15.06810060
          69
 Energy    -248.82371382169674     
  O     11.12584397      8.13287007    -14.68870808
  H     11.76728722      7.57457191    -15.15034899
  H     17.06011477      6.12878122    -15.46791056
  O     17.09116282      7.56966039    -12.85512153
  H     11.28647309      9.03677255    -14.98416393
  H     18.55311085      9.80237968    -14.94987197
  O     16.38631008     11.59395845    -13.38065241
  H     16.32281609      7.94891266    -13.31249941
  H     18.16119815      8.98285054    -13.69785699
  O     16.07222868     11.42034355    -16.26980943
  H     17.29618768      6.76444374    -13.35228157
  H     13.13377456     10.34187402    -16.78270328
  O     14.42711622      4.49351698    -14.53254949
  H     17.12535284     11.00797394    -13.60739346
  H     14.63961060     10.60461438    -17.01031603
  O     14.78305808     10.43533743     -9.30232539
  H     16.50525105     11.80568878    -12.44639021
  H     14.57295082      9.19960668    -14.20039976
  O     15.18343721      6.97561958    -10.85898359
  H     16.15509090     11.65378829    -15.33833150
  H     14.30272809      7.78278915    -14.77887742
  O     13.78875936     10.69674055    -13.44616034
  H     16.89759498     10.98128507    -16.50732591
  H     11.10756282      7.68516395    -13.03348381
  O     16.58848099      7.65854981    -16.59347058
  H     14.02328584      4.80296588    -13.70060396
  H     10.30598547      7.24898572    -11.78279930
  O     16.32425136      8.12324591     -8.56658010
  H     14.26656123      3.55463238    -14.58090986
  H     17.78653348      8.63267462    -11.34820517
  O     18.35947559      9.72967222    -16.81340337
  H     14.12784919     10.06147160     -9.90634182
  H     17.67993100     10.02017825    -10.67141189
  O     17.11577406      5.54151387    -14.70331869
  H     15.21474721      9.67925304     -8.88521342
  H     12.53126457      6.04214589    -12.23621272
  O     18.42338682      9.86093563    -13.99464765
  H     15.90699932      7.09370158    -11.48817011
  H     13.96595272      5.88558777    -11.69976598
  O     13.87960715     10.10515735    -17.34434225
  H     15.52105949      7.22604788     -9.99001256
  H     16.02534810     11.36088878    -10.13358043
  O     14.98892411      8.35802684    -14.41734512
  H     13.61532949     10.19841611    -12.63492218
  H     17.09924099     12.47232331    -10.07526701
  O     11.18883708      7.41879213    -12.09949783
  H     14.66996574     11.09275567    -13.38557373
  H     14.13456090      8.53960149    -17.95080310
  O     17.92109357      9.09886661    -10.51527080
  H     15.93115381      7.54494638    -17.29117728
  H     14.05600620      7.53573059    -19.13058534
  O     13.31047646      5.47663051    -12.28135646
  H     16.09856138      8.01004517    -15.83373803
  H     13.99018553      8.36132758    -11.16700324
  O     16.77312731     11.75651427    -10.61474391
  H     16.79835358      7.82305964     -7.79636764
  H     12.49496400      8.57628145    -11.46949003
  O     14.30796610      7.61476661    -18.21549026
  H     16.98847520      8.46225284     -9.19571858
  H     12.55807082     10.83450347    -14.68127915
  O     13.31339144      9.04568722    -11.26410220
  H     17.79142471      8.94052975    -16.82915204
  H     11.42238392     11.60080340    -15.39919922
  O     11.90056978     10.77549451    -15.39701255
  H     18.98954030      9.63426012    -17.52245225
  H     13.54430661      6.86784880    -16.68710902
  O     13.21299694      6.67256091    -15.80119494
  H     16.24901516      5.12094957    -14.63781664
  H     13.60657000      5.84303363    -15.50091786
          69
 Ord_Energy   -248.823669    
 O   -2.21917176      0.275920272       4.24964714    
 H   -3.04029465      0.789940119       4.18649149    
 H   -2.31062484     -0.293898642       5.00940132    
 O   -7.08283329       2.65618730       3.42340207    
 H   -7.70769978       2.05986500       3.82840967    
 H   -6.19783640       2.31230783       3.62384367    
 O  -0.525689721       2.51150084       3.86868429    
 H   -1.01023555       1.70144975       4.06000757    
 H  -0.698879361       3.13268781       4.59207153    
 O   -6.64382315       3.81115508      0.849486887    
 H   -6.15313339       4.60415030       1.10497653    
 H   -6.89134550       3.37110543       1.67078090    
 O    1.54864240       2.96446538       2.08204365    
 H    1.28594661       2.41790366       1.33442128    
 H   0.957363844       2.71037340       2.80579805    
 O  -0.553794920       3.90497613     -0.758672774    
 H   -1.44053721       3.92899013      -1.15435708    
 H  -0.253065288       2.99147201     -0.678483725    
 O   -1.92519736       7.52360868      0.288296133    
 H   -1.04780936       7.21197081       3.27030905E-02
 H   -2.08360004       7.19225359       1.17986166    
 O   -6.43543673       5.39277077       4.10324383    
 H   -6.83097887       4.53524876       3.90406299    
 H   -6.20533657       5.78211641       3.25027871    
 O   -2.59360242       6.17014217       2.74515033    
 H   -2.30588675       5.33581734       2.33541059    
 H   -1.87132919       6.47497892       3.31162882    
 O  -0.341846824       6.70478535       4.26321793    
 H   0.261770010       6.34385681       3.58666611    
 H    8.13551992E-02   7.47630787       4.62924099    
 O   -5.19078207       6.11571932       1.56700051    
 H   -4.34946966       6.18534040       2.03586078    
 H   -4.99971342       6.39987373      0.663654864    
 O   0.374085188       1.35373223      -5.83535694E-02
 H  -0.287834048      0.879465938      0.474188834    
 H   0.870656013      0.687805355     -0.527154565    
 O   -3.69670773       1.88740826       1.15388513    
 H   -4.24022102       2.03541899      0.372603536    
 H   -3.09453559       2.64129186       1.25135028    
 O   -1.80624962       3.79603314       1.74265194    
 H   -1.29678154       3.34191418       2.42861390    
 H   -1.26016486       3.87536740      0.950649142    
 O   -5.30514765       2.49302697      -1.06140268    
 H   -5.86596584       2.98357940     -0.431874841    
 H   -5.88854265       1.98657715      -1.61908066    
 O   -1.56762803      0.121915549       1.41282630    
 H   -1.63362980      -3.52924690E-02   2.36006832    
 H   -2.36315203      0.630395472       1.19818854    
 O   -4.40728807       1.95704925       3.80444288    
 H   -4.22252369       1.92846727       2.85175371    
 H   -4.15345573       2.83201170       4.13437796    
 O    1.18821335       5.70911789       2.29787207    
 H    1.06129289       6.01930285       1.39483988    
 H    1.40516436       4.76775408       2.23109818    
 O   -4.18074322       6.78773069     -0.997615635    
 H   -3.35568261       7.12706518     -0.604914129    
 H   -4.47931957       7.44306850      -1.62273037    
 O   0.555404723       6.35646391     -0.409195602    
 H   0.216715634       5.46329212     -0.597714543    
 H    1.18654740       6.56282425      -1.09368122    
 O   -3.11647248       4.20015097      -1.63113654    
 H   -3.85405231       3.58476400      -1.54441905    
 H   -3.48693991       5.07627153      -1.46861517    
 O   -1.23387384       4.40072918       5.71450901    
 H  -0.883394480       5.22528172       5.35388041    
 H   -2.19285917       4.44379377       5.60542297    
 O   -3.88300085       4.55108643       4.71073389    
 H   -4.79532385       4.87507629       4.69949865    
 H   -3.41115761       5.10254717       4.07459021    
          69
 Energy    -248.82352733782511     
  O     12.01949461      4.99176872    -13.59430536
  H     12.90241835      4.61430362    -13.69938365
  H     15.77976718      8.51607562    -10.42484463
  O     17.83976243      9.89983262    -13.93109105
  H     11.91095763      5.14481728    -12.64862138
  H     14.87740601      7.68586522    -12.01264565
  O     18.48443400      7.45572388    -11.50945618
  H     17.91584255      8.97213336    -14.18956817
  H     13.40306365      8.00831646    -12.36239176
  O     15.79503276     10.41088854    -10.82947491
  H     16.89806384     10.11827726    -13.94993256
  H     10.34152824      6.46324679    -15.78880605
  O     13.05464337     10.62008643    -15.43944645
  H     18.26001275      7.34313722    -12.44709781
  H     11.40895197      6.17069906    -14.71141134
  O     16.90403082      2.42671989    -13.42541924
  H     18.66589800      8.39266970    -11.36894514
  H     20.05423428      4.87133140    -10.36969391
  O     13.38420163      8.10168553    -16.39037162
  H     15.51535335     10.54300742    -11.74848182
  H     19.03524022      5.83705722    -11.01434561
  O     14.74727646      5.04349222    -10.82177493
  H     16.75747038     10.47102844    -10.84063759
  H     15.10311374      5.64708482    -14.64067343
  O     13.17735473     10.26065100     -9.85496581
  H     12.83006210     11.21166938    -16.15251065
  H     14.82027057      7.08433010    -14.20443189
  O     18.84687220      4.53219621    -13.72649686
  H     13.22029892      9.74770581    -15.84233170
  H     19.30660814     10.90198577    -11.28882340
  O     15.09071914     10.39513238    -13.53303455
  H     16.92232948      2.61138120    -12.46814033
  H     18.38646736     10.21317480    -12.32840529
  O     15.90503314      7.56316612    -10.51130988
  H     17.01208192      1.48522702    -13.52812212
  H     18.28359954      6.19866911    -14.16103851
  O     14.28382462      7.90602512    -12.74201717
  H     12.57903715      7.63603210    -16.12873733
  H     16.96398975      6.92684864    -14.51185072
  O     11.06947151      6.85578337    -15.31416347
  H     14.11274755      7.55275166    -16.07297624
  H     16.15496265      3.79393766    -10.68752957
  O     19.24532404      4.89879790    -10.87480899
  H     13.79430755      5.16285757    -10.72283537
  H     17.70483282      3.79303760    -10.72968972
  O     15.22193915      6.56428105    -14.91901116
  H     15.15225520      5.88776971    -10.58097852
  H     11.71665703      9.81695137    -14.25997396
  O     18.59793677     10.27068939    -11.37675018
  H     14.10093519     10.40669014    -10.10797307
  H     11.01583650      8.44639401    -14.30382867
  O     17.85910215      7.06934955    -14.17571153
  H     12.93207704     11.01015197     -9.31723848
  H     15.40137883      3.51253772    -13.63431251
  O     16.92656935      3.23110128    -10.83516556
  H     18.21869824      3.80215503    -13.78460300
  H     14.78035414      4.51818936    -12.63690858
  O     11.12640793      9.23961452    -13.76254817
  H     19.11970835      4.55778706    -12.80173460
  H     11.29189031      5.38193372    -10.17360364
  O     14.72421906      4.19368485    -13.54683391
  H     14.44912351     10.68396386    -14.19199163
  H     11.89347691      6.59105522    -10.92732948
  O     11.97207764      5.63007740    -10.79457643
  H     14.81376536      9.49744599    -13.29113396
  H     12.26944160      8.99532014    -10.78281741
  O     11.89646212      8.29532961    -11.33660537
  H     16.82051876      7.44198502    -10.80034634
  H     11.50505550      8.70038218    -12.12648516
          69
 Energy    -248.82286819200471     
  O      2.91711588     -0.79365941      1.28935623
  H      2.85663256     -0.04936494      1.90188988
  H      7.24441911      0.76272850      1.05471854
  O      8.84130064      3.30470848      0.72823036
  H      2.41787252     -0.52483141      0.50166723
  H      3.53623229     -1.99066914     -3.54932555
  O      2.86429957      1.51480328      2.92079710
  H      9.75339482      3.47823104      0.94754487
  H      4.10103175     -1.51073091     -2.19345768
  O      6.57632793     -3.26680217      0.93025053
  H      8.64496862      2.40564590      1.04218713
  H      4.38831147      5.25558607     -0.76627292
  O      4.40315975      1.47308563     -3.50047180
  H      3.70899688      1.82175640      3.30122077
  H      4.59796111      4.06131858      0.18704847
  O      8.73311618     -0.77397414     -2.33400932
  H      2.17186329      1.82397819      3.49801645
  H      2.93228012      6.14949236     -2.80394367
  O      3.89932571      2.46644703      0.51208514
  H      6.88043411     -4.16668339      1.00403658
  H      4.00796819      5.04438088     -2.92330939
  O      6.97518665      1.36289006     -2.50210560
  H      7.35351444     -2.72051420      0.70912977
  H      5.49593441     -0.24443748     -0.20124836
  O      1.80120164     -0.00470658     -1.13876860
  H      4.17491577      0.53489971     -3.49405568
  H      6.27207013      0.88973719     -0.91687279
  O      5.34172386      4.20859418     -3.71898348
  H      3.73620239      1.90403849     -2.94621493
  H      5.69021600     -2.26923353      2.26811130
  O      5.23758081      2.38452204      3.78196723
  H      8.14461489     -0.01407648     -2.46359809
  H      4.40377209     -1.42759740      2.42250918
  O      8.04841717      0.83037601      1.59408739
  H      9.32385062     -0.77734088     -3.08316647
  H      7.88123537      3.77554345     -0.82395091
  O      3.67436899     -1.21255295     -3.01489648
  H      4.59649409      1.81289595      0.35673679
  H      6.44635446      4.29155496     -1.03194191
  O      4.99080888      4.90015293     -0.10375130
  H      3.46345663      2.22909230      1.33790340
  H      8.59218265     -0.81292610      0.79215067
  O      3.28931599      5.38466331     -2.36071788
  H      7.14605829      2.26786761     -2.20410766
  H      8.70976946     -1.40239918     -0.63055423
  O      5.87082300      0.63498425     -0.07498904
  H      6.10946552      1.36220485     -2.93476324
  H      2.55361684      3.62017310     -2.04313733
  O      5.23827463     -1.64596315      2.85136518
  H      2.26840191     -0.46404407     -1.84599121
  H      2.96090562      2.58981334     -0.97139996
  O      7.20792290      3.92007986     -1.50092894
  H      1.82480059      0.92732140     -1.38878129
  H      5.31208291     -2.46705371     -0.12752191
  O      8.61669916     -1.64350076      0.30242973
  H      5.08741095      3.28852314     -3.86275624
  H      4.02204419     -1.61478587      0.11252729
  O      2.50970175      2.68225309     -1.82619467
  H      6.11041191      4.18778468     -3.13596388
  H      6.02183597      4.71206491      1.52665867
  O      4.67704788     -1.87695742     -0.55263613
  H      5.69972903      3.07322234      3.28271785
  H      7.37342229      4.03861445      1.79352971
  O      6.54961607      4.29837927      2.22054941
  H      5.87276199      1.67936656      3.94886675
  H      6.29829551     -0.53186195      3.66450914
  O      6.92702513      0.10631885      4.04788421
  H      7.78662333      0.62252174      2.49964732
  H      7.22251933     -0.26086691      4.87651194
          69
 Energy    -248.82275917059155     
  O     -5.58276936     -2.27929545      5.27682305
  H     -6.41276106     -2.60099207      4.88310731
  H     -4.76958285      0.64575564      0.89084256
  O    -10.37269843     -1.86505571      3.59129509
  H     -5.24140111     -2.99293644      5.80979294
  H     -8.31748639      0.35428506      3.66404350
  O     -7.83869759     -3.11958013      3.98348300
  H    -11.26199403     -2.16996032      3.75758791
  H     -6.78996374      0.41390568      3.88581105
  O     -6.08528577      1.12463176     -0.33319481
  H    -10.26147811     -1.04549460      4.10096893
  H     -1.03445078      1.99561240      0.29769078
  O     -5.73082731      0.47777814      5.41848895
  H     -7.50894115     -2.92438425      3.09523774
  H     -2.02059731      2.74187613      1.23072780
  O     -4.53661377      5.34093486      1.13387039
  H     -8.74775245     -2.79868551      3.97559183
  H     -7.49836875      3.97834101      4.42922805
  O    -10.32413348      2.25077500      1.40412381
  H     -6.65474079      0.40331292     -0.62090562
  H     -8.99192777      3.57870272      4.60224439
  O     -4.29026339     -2.07235172      2.60896465
  H     -6.63539101      1.68640990      0.23593303
  H    -10.62158956      2.76274632      2.99032522
  O     -4.28795629      3.29778309     -0.65638579
  H     -6.43942284      0.78171321      6.00008429
  H    -11.49438872      3.50070256      4.03520770
  O     -9.78694008      0.50891319      4.84684033
  H     -5.65597418     -0.48328446      5.49880200
  H     -7.09782011     -1.13436702      2.16939036
  O     -7.88450996     -1.08761724     -0.67774395
  H     -4.51004011      4.64442285      0.45353159
  H     -5.91086111     -2.08582426      1.85555759
  O     -4.05736975      0.52037591      1.53296003
  H     -4.50489580      6.17457744      0.67225675
  H     -9.48606276     -0.72177727      0.39631075
  O     -7.46939934      0.32870241      3.20481106
  H     -9.38946686      2.46467578      1.27976835
  H    -10.18098022     -1.07015032      1.74003231
  O     -1.95878965      2.09008587      0.50920414
  H    -10.40381691      1.30622238      1.20707684
  H     -8.06789980      1.84523240      7.63794476
  O     -8.15156310      3.66693579      5.06849857
  H     -4.53224861     -2.04493113      3.54078613
  H     -7.98166980      2.37103964      6.18218799
  O    -10.69944651      2.98460555      3.93715416
  H     -4.09231105     -1.16610353      2.33072578
  H     -3.01176596      3.34018850      3.11218303
  O     -6.84448185     -1.91941587      1.65971871
  H     -4.92498105      2.57466063     -0.71903469
  H     -3.07944187      4.50719072      2.11094609
  O    -10.21834220     -0.48437524      0.97695820
  H     -3.44444627      2.88546265     -0.43226280
  H     -4.71550870      1.63982749      4.46145555
  O     -7.95686544      1.56540004      6.73350682
  H    -10.19950259      1.33161639      4.54802241
  H     -4.29173270      1.60410169      2.97242601
  O     -2.47420583      3.86560001      2.50337306
  H     -9.23039124      0.73781884      5.60171396
  H     -7.55141297      1.72275502      2.08322732
  O     -4.36723831      2.18446806      3.74406477
  H     -7.92474565     -1.75759859     -1.35574438
  H     -7.11687969      3.20330469      1.99507894
  O     -7.55514437      2.49930111      1.50225302
  H     -7.47614512     -1.50181205      0.10404038
  H     -5.66833373      4.76974193      2.51159866
  O     -6.14577150      4.23065791      3.15435975
  H     -3.26501574      0.92021829      1.15158010
  H     -5.53243746      3.52888252      3.42260773
          69
 Ord_Energy   -248.822708    
 O    1.71938825       4.80635881       7.77092934    
 H    1.47074807       4.19900513       8.47694111    
 H    1.59613025       4.33372021       6.93585873    
 O    2.88888931       1.17866802       6.60560226    
 H    2.36460495      0.381434560       6.47173357    
 H    2.42366552       1.92886472       6.20813894    
 O   0.937990129       1.45690799       3.55452943    
 H   0.514319062       1.48984611       2.70059872    
 H    1.70758164      0.869897723       3.45754814    
 O    2.14659190      -1.58061600       9.13005733    
 H    3.07155275      -1.29598653       9.20756626    
 H    1.99829197      -2.21957445       9.82313442    
 O    6.65861702       3.08261466       5.85365629    
 H    6.32373524       3.31074858       6.73349190    
 H    7.52698851       2.68567371       5.99371529    
 O    5.50234652      -1.36047232       6.50367785    
 H    5.18755960      -1.12921369       7.38710260    
 H    5.46341610     -0.551760793       5.96719408    
 O    4.15762997       5.94533014       7.58681393    
 H    4.10183907       6.88458014       7.73836088    
 H    3.25857329       5.58660316       7.70379543    
 O    8.17234993     -0.810175955       7.30263186    
 H    8.00851822     -0.757465124       8.25248814    
 H    7.34640741      -1.13029706       6.91913033    
 O  -0.301491499      0.413920939       6.00948048    
 H   0.236494362     -0.391510487       6.03854132    
 H   -4.43222784E-02  0.850887418       5.19117403    
 O    4.73553848     -0.597879946       9.15532207    
 H    4.41454983      0.316300690       9.19877625    
 H    5.62358570     -0.591081262       9.53372192    
 O    5.69204903       3.74643278       8.40470123    
 H    5.00201130       3.12741661       8.68338966    
 H    5.24936962       4.58206511       8.21033096    
 O    3.71048641      -2.62059045       4.84129047    
 H    4.00566101      -3.47147727       4.52811432    
 H    4.41080093      -2.27667236       5.42171001    
 O    1.20164657       2.93259954       9.86533642    
 H   0.697340071       3.14907289       10.6444616    
 H   0.783467412       2.14591289       9.46908569    
 O    7.38474512     -0.283589274       10.0150595    
 H    7.85851574     -0.475901335       10.8196602    
 H    7.55812359      0.652577758       9.80470943    
 O    4.33605337       4.58198643       5.05451250    
 H    5.17898130       4.11697578       5.10792732    
 H    4.31758595       5.16343832       5.82548141    
 O   0.230765581      0.684363127       8.75606441    
 H   0.798296511      -7.96018913E-02   8.89808655    
 H   -4.53536995E-02  0.663853288       7.82799721    
 O    5.12586689      0.931456625       5.05998230    
 H    5.71488905       1.67487204       5.23650503    
 H    4.33443689       1.07096958       5.60489225    
 O    8.99937820       1.70077121       6.61886072    
 H    8.73893356      0.777226269       6.78277111    
 H    9.89764881       1.67997217       6.29974937    
 O    3.16803455     -0.141787037       3.36991310    
 H    3.24685526      -1.04767859       3.68616319    
 H    3.92983341      0.315823287       3.75233269    
 O    1.69027746      -1.44528270       6.37979889    
 H    2.31731224      -1.94959617       5.84855700    
 H    1.84826589      -1.66002846       7.30826664    
 O    1.86574578       3.39775610       5.35094929    
 H    2.71352291       3.79411030       5.09242105    
 H    1.51643980       2.89237595       4.60733604    
 O    7.91258192       2.24892139       9.22387695    
 H    8.39392853       2.17529655       8.39076900    
 H    7.18644524       2.86464071       9.05587292    
 O    3.69791055       1.94265640       9.07052422    
 H    3.40313601       1.69323707       8.17845917    
 H    2.92528915       2.31508040       9.51140690    
          69
 Energy    -248.82261767137328     
  O     15.30588433     11.06420131    -16.88310571
  H     14.53379405     10.72997550    -16.41183489
  H     19.93629942      6.96413578    -16.18788353
  O     14.30849959      5.04507867    -16.14854611
  H     15.93818746     11.33536020    -16.20667137
  H     18.04192617      7.90875505    -16.60076392
  O     18.10445243      7.87158998    -11.93369731
  H     14.21464406      5.91562239    -16.56099223
  H     18.50675656      7.33263842    -17.95036791
  O     17.57884188      6.08894116    -18.89898163
  H     14.24954278      5.20276954    -15.19773767
  H     15.91918523      7.52775860    -15.92432909
  O     13.69014162      8.40188151    -10.41420020
  H     18.97210746      8.00530578    -12.33287534
  H     16.67774774      8.18450052    -14.73019360
  O     14.36442649      5.83407044    -13.42493592
  H     17.50313512      8.47767653    -12.39433213
  H     13.24762288      9.34506969    -14.69852209
  O     16.39874760      9.40950254    -13.39710411
  H     17.20584399      5.34323682    -18.40908818
  H     12.17194849      9.96674595    -15.61745048
  O     17.85758215      5.01262216    -15.09526336
  H     16.83673169      6.54102365    -19.30275632
  H     16.35417214      4.85961430    -10.94060676
  O     13.30618969      5.55083177    -10.89431314
  H     14.61211820      8.18855993    -10.18269895
  H     16.32074185      4.00127382     -9.65467226
  O     19.32559892     10.08064639    -15.44552844
  H     13.33286268      8.90066783     -9.68438325
  H     14.98352714      8.11501440    -17.67335315
  O     16.48362581      3.96926119    -17.32122379
  H     15.29169783      5.70516401    -13.18857497
  H     13.87086070      8.34260988    -16.61064246
  O     20.23358823      6.46914548    -15.41515488
  H     13.85456536      5.62148645    -12.62920334
  H     21.35413002      8.40688321    -13.17071027
  O     18.70626284      8.02310305    -17.30070213
  H     15.44887176      9.26160631    -13.30675361
  H     20.42958734      7.59999105    -14.11179516
  O     16.74485414      7.51718356    -15.42303434
  H     16.55747394     10.26307150    -13.81889423
  H     17.43987339      6.21728033    -12.31281092
  O     13.09332905      9.72065973    -15.58080739
  H     17.50098344      4.49004342    -15.82234273
  H     17.38641313      5.05555905    -13.34775738
  O     15.94062791      4.77412695    -10.06396185
  H     17.45129470      5.89130570    -15.18143958
  H     16.96534278      7.77776018    -10.41421967
  O     14.42542907      7.66776268    -17.01916395
  H     13.28423418      6.48165467    -10.64197286
  H     16.16854626      6.64658607     -9.73572429
  O     20.44623467      8.31312364    -13.44820837
  H     14.10980935      5.19183494    -10.49536384
  H     17.11793631      8.90560819    -18.29926920
  O     17.02329664      5.36518495    -12.50747517
  H     19.25331696      9.49126129    -16.20677182
  H     15.92707115      9.86121905    -18.08839608
  O     16.22041162      7.60684183     -9.82417954
  H     19.72733224      9.56276896    -14.73763987
  H     13.95792229      7.60634580    -13.38582437
  O     16.20883138      9.06535829    -18.56876293
  H     16.30133401      3.08703146    -17.63318400
  H     13.63067668      8.59847204    -12.24251033
  O     13.76837396      8.53796668    -13.19690041
  H     15.66243652      4.29958223    -16.91199773
  H     18.00317548     11.14076989    -15.08872128
  O     17.20748114     11.64616355    -14.83981921
  H     19.54904178      5.80291644    -15.26669581
  H     17.49565675     12.53082463    -14.63175019
          69
 Energy    -248.82258671259751     
  O     17.97332666     11.49867008    -17.66900383
  H     17.07660226     11.47446549    -17.28975787
  H     16.42567085      5.28147585    -13.53570613
  O     15.48691388      5.39885981    -14.99551677
  H     17.94145235     12.10421348    -18.40482183
  H     22.30607940     10.12877236    -15.27283448
  O     16.81462500     12.96517679    -10.39489882
  H     14.71845186      5.98155873    -14.97070426
  H     21.15721024      9.48568770    -14.45974594
  O     20.59460015      8.65442292    -13.05742429
  H     15.86107366      5.49896756    -15.87949455
  H     17.96693659      9.70878541    -14.98402572
  O     15.37085983      9.72556523     -9.64428244
  H     17.21285159     12.73105772    -11.24639097
  H     16.91923857      8.78658978    -15.69066518
  O     15.17327017      8.95866702    -13.41416720
  H     15.87318595     12.78303219    -10.49838759
  H     15.30082145     11.46334569    -15.53458959
  O     17.72817048     11.75561651    -12.73115962
  H     20.00257460      8.99922349    -12.37778854
  H     15.36628314     10.34672840    -16.61553136
  O     18.97870047      6.69042850    -14.18570222
  H     20.16875992      7.85213997    -13.39107402
  H     16.61808756      6.80701866    -11.67658133
  O     13.53710641      7.47010640    -14.98112645
  H     15.63842048      8.91445430    -10.09366731
  H     15.88125525      8.12041143    -12.01373458
  O     19.03213692      6.51217733    -17.00919498
  H     16.17849966     10.07805325     -9.24934314
  H     15.79720640      7.68936948    -17.26526935
  O     16.48560201      6.00096563    -17.61239183
  H     16.01576200      8.86820368    -13.88715926
  H     14.69458893      8.16380526    -16.30249060
  O     16.98041729      5.27934415    -12.73471128
  H     14.99654935      9.90767973    -13.38749327
  H     18.28363112     11.22459866     -8.10625421
  O     21.36563204      9.97501140    -15.27685165
  H     18.22800803     11.76859857    -13.55899495
  H     17.53832878     11.74142320     -9.36103907
  O     17.46389627      8.89081385    -14.89908412
  H     17.99936345     10.95618600    -12.25936475
  H     18.47382928      9.93856091    -10.39741715
  O     15.55314231     11.28033857    -16.44622048
  H     18.44195152      7.46042272    -14.43559536
  H     17.87768092      8.82134401    -11.28841066
  O     16.41051398      7.68234940    -11.32951728
  H     18.40893823      6.12713348    -13.65075841
  H     13.37366534     12.07915083    -10.39556459
  O     15.43614672      8.47704229    -16.83694473
  H     14.02448879      8.00055187    -14.32611789
  H     14.53863859     11.06618495    -10.44719562
  O     17.86014057     10.93955737     -8.91103674
  H     12.60853246      7.58205123    -14.79724788
  H     19.16152856      9.88149235    -17.67797784
  O     18.55501660      9.51102874    -11.25934891
  H     19.16752953      6.44059189    -16.05619359
  H     20.36727737      9.40541980    -16.84026398
  O     14.17530893     11.86660714    -10.86640348
  H     19.31520151      7.40326632    -17.26237446
  H     16.02069088     11.76169053    -13.32343711
  O     19.75994100      9.13928343    -17.54203782
  H     16.42954861      5.46196375    -18.39611608
  H     14.61129539     11.88553107    -12.72041954
  O     15.07803298     11.69499148    -13.54429850
  H     17.43430396      6.14717453    -17.43817236
  H     18.69947588     11.55928463    -16.00057686
  O     18.97848997     11.35672794    -15.09855492
  H     17.02327439      4.37522029    -12.43410851
  H     19.87312769     10.99396716    -15.14387721
          69
 Energy    -248.82245231046477     
  O     -7.17867653     -3.29998170      5.13758579
  H     -7.92654030     -2.81935128      5.51161213
  H     -5.70017526     -1.16165000     -1.58711144
  O     -9.48129319     -2.69202343      1.44431740
  H     -6.38515988     -2.86996067      5.47958935
  H     -4.53921809      1.71830970      2.09523987
  O     -7.22051159     -4.08026578      2.54573429
  H     -8.77126602     -3.22125109      1.82645512
  H     -3.67255644      2.56622991      3.06210735
  O     -5.22192415      1.76410366      0.38496170
  H     -9.83981675     -2.16062704      2.16622990
  H     -6.73394568     -0.78405471      2.63753861
  O     -7.00306288      0.13137133      5.85628821
  H     -7.21986429     -3.84323857      3.49063516
  H     -7.14297415     -0.04827156      3.95222373
  O     -6.85539866      5.76787334      2.54619067
  H     -7.15275486     -5.03034619      2.50042532
  H     -4.49869504     -1.46347354      5.24990927
  O    -10.26069777      1.37899517      0.09212480
  H     -5.24191906      0.92882154     -0.09311718
  H     -4.27473292     -1.97028395      6.69698189
  O     -9.16682968     -1.49714651      6.17379131
  H     -6.14787195      1.91781229      0.63792036
  H     -2.15753256      4.70315296      3.33233300
  O     -3.89694187     -0.89594969      3.76458628
  H     -6.70380469      1.03520644      5.68376045
  H     -3.65261388      4.67144218      3.73619740
  O     -4.93698076      4.55218202      1.00872384
  H     -6.22991561     -0.42331278      6.02703082
  H     -8.03009960      4.38623205      3.15587729
  O     -9.98501724     -0.82919211      3.54558557
  H     -6.23106233      5.33876172      1.93439967
  H     -8.17404368      2.98075326      2.56018275
  O     -5.92257222     -0.81024991     -0.72901157
  H     -7.08126190      6.60917708      2.15802303
  H    -10.57964722      0.90066340      3.13252674
  O     -4.23263354      1.78169288      3.01062411
  H    -10.90756483      1.81249054     -0.45766234
  H    -10.10066733      2.38021666      3.14744546
  O     -7.35783934     -0.15278785      3.01809125
  H    -10.54514254      1.51090123      1.01429572
  H     -6.09381779     -2.74741350      1.92762722
  O     -4.95249069     -1.74716848      6.06557988
  H     -8.45564625     -0.83284046      6.13912381
  H     -5.64877402     -1.65072870      0.89308871
  O     -2.99810292      4.31347957      3.10962464
  H     -9.57025477     -1.42459142      7.03487325
  H     -8.92753081     -1.59851544      0.12999646
  O     -8.38275607      3.50838198      3.34758797
  H     -3.90889095      0.04660199      3.55263201
  H     -9.23459965     -0.18770255     -0.40383936
  O    -10.73488894      1.77503373      2.74799263
  H     -4.35577571     -1.33802855      3.03676505
  H     -5.44444549      4.28837243      4.97109320
  O     -5.57775985     -1.93870638      1.81226808
  H     -4.17416526      4.53510465      1.60073865
  H     -5.69587752      5.49623355      4.05647785
  O     -8.60843398     -0.91494384     -0.47837353
  H     -4.98309831      3.67078395      0.61926739
  H     -5.58488629      2.25291245      4.19072327
  O     -5.06013551      5.12711479      4.68306257
  H     -9.07787347     -0.62915658      3.26505071
  H     -7.01662046      2.85172144      4.38824143
  O     -6.22597750      2.54453127      4.85550247
  H     -9.91187615     -1.11594646      4.46324144
  H     -8.57625680      1.75366109      0.72085108
  O     -7.77066226      1.89198458      1.23310538
  H     -6.89664287     -0.81095154     -0.67383989
  H     -7.66179065      1.12833748      1.82297905
          69
 Energy    -248.82211473488226     
  O     12.34383353     12.20089428    -13.59084474
  H     12.29183822     13.13618226    -13.82219492
  H     16.74300628      9.16645857    -16.86421466
  O     12.32263930     14.78951315    -14.71166484
  H     11.67216511     11.74397685    -14.11973471
  H     17.44229101     15.04259327     -9.89138582
  O     14.60019666     11.86818793    -15.18063729
  H     13.13777242     14.77053890    -15.23592199
  H     17.00232883     15.11678607     -8.40789199
  O     16.68220830     10.50299837    -13.85056720
  H     11.61960207     14.53223747    -15.32023011
  H     14.74245457     13.53324477    -15.83344432
  O     10.62371895     11.12528024    -15.39954991
  H     15.31505265     11.42480873    -14.71105012
  H     15.41448523     14.90673895    -15.64845708
  O     13.86086430     10.89706277    -17.65178365
  H     13.83557198     11.90897423    -14.58948680
  H     13.37230400     15.43204365    -13.26117345
  O     10.68630242     13.65927583    -16.77184387
  H     16.14944903      9.97013169    -13.24334007
  H     14.91960494     15.51491065    -13.26606884
  O     15.08967593     13.55127668    -10.99413130
  H     16.90542358      9.92597701    -14.59207472
  H     16.44562499     13.12019281    -12.16335106
  O     15.71794045     17.22859860    -11.03231608
  H     11.05431046     10.41697480    -15.89289379
  H     17.15199770     12.15642051    -13.15695276
  O     16.50639113     15.34252343    -14.22164669
  H     10.58389820     11.90055207    -15.97418449
  H     12.79391655      8.71671693    -16.02434310
  O     17.89066610     17.23871925    -12.67279462
  H     13.19475479     10.21946802    -17.48307002
  H     11.66536770      8.19115820    -16.94128643
  O     16.86491553      8.71189573    -16.01313696
  H     14.13361583     11.22334695    -16.77919155
  H     14.98242540      8.33161563    -11.63728792
  O     16.67381731     15.14942319     -9.30193988
  H      9.98633981     14.05274370    -17.28644081
  H     14.42031037      9.73620432    -11.96087503
  O     14.71617637     14.45418454    -16.13778827
  H     11.47232436     13.62841022    -17.34564778
  H     16.76191567     10.59807747    -18.99164452
  O     14.14030453     15.55747962    -12.69209878
  H     14.63625707     14.21593652    -11.53249894
  H     15.45941047     10.33815171    -18.21482214
  O     17.17967422     13.04861682    -12.79143481
  H     15.54913624     14.02660728    -10.29108279
  H     14.28470024      8.48651681    -14.08409843
  O     12.09388307      8.98969298    -16.64471774
  H     15.95466873     16.62188212    -10.31941389
  H     15.04808375      8.36849583    -15.41143366
  O     14.89051809      8.96986129    -12.33903720
  H     15.01374484     16.79213088    -11.53020891
  H     13.27838057     12.60209245    -18.17625961
  O     16.36761722     10.01910732    -18.34440069
  H     16.80372970     14.51078039    -13.82347961
  H     13.66284808     13.99765634    -17.64905983
  O     14.16785021      8.30014959    -15.02358942
  H     17.04445305     16.04581028    -13.83888322
  H     18.30581403     14.16894153    -11.76161628
  O     13.00681171     13.52986517    -18.18338941
  H     17.12544852     17.34525083    -12.07899711
  H     18.55216261     15.69199499    -11.71743409
  O     18.61676174     14.88522890    -11.19113015
  H     18.27133061     18.10427664    -12.79217392
  H     14.18467815     11.94271755    -11.12513412
  O     13.69179082     11.16891382    -11.42557623
  H     17.45697886      7.98189180    -16.17615775
  H     13.09600698     11.49670674    -12.11499674
          69
 Energy    -248.82203791169570     
  O     14.16578304      8.87705071    -10.58967496
  H     14.74527004      9.22644480     -9.90143032
  H     17.37823474      4.32328990    -12.87472738
  O     13.82634807     11.04690577    -16.28948825
  H     13.97650955      9.57949667    -11.22709435
  H     20.25503167      7.71268746    -14.83709950
  O     16.69365715     11.09852125    -12.85932923
  H     13.55327572     11.72032735    -15.65387902
  H     18.98406484      8.57409819    -14.70412914
  O     16.29106539      6.56557561     -8.12565748
  H     13.49928933     10.20994697    -15.93766827
  H     12.93507096     13.74716248    -14.06448928
  O     16.09420983     13.27997901    -14.50088956
  H     15.76880276     10.82623358    -12.81728039
  H     14.36168966     13.17786948    -14.26303125
  O     15.84403723      7.52229792    -12.38121627
  H     17.10931020     10.86638069    -12.01621182
  H     14.25875930      8.56731643    -14.98622682
  O     13.89092971     10.52385701    -12.77746838
  H     16.89752297      6.20795078     -8.80022132
  H     12.99520865      7.77198933    -14.64695845
  O     18.52024378      7.72607371    -11.73988740
  H     16.43572636      6.05625754     -7.33261120
  H     16.52418651     11.85392927    -17.75311666
  O     17.83883862     10.17385068    -10.56148118
  H     16.42322554     12.65865910    -13.83488762
  H     15.52440632     11.34710795    -16.69133689
  O     17.82188391      5.21152861    -14.27343915
  H     16.31319838     12.88081488    -15.35129330
  H     12.22469189      5.25900662    -14.43170377
  O     15.53171038      5.58817464    -15.79848023
  H     15.30793717      8.04486035    -11.77169443
  H     13.46971244      5.52862404    -13.56461092
  O     17.04078437      3.84458126    -12.09451185
  H     15.47020308      6.63228828    -12.37410235
  H     13.80893867      7.11622117    -10.03536398
  O     19.39208999      7.73721035    -14.42961652
  H     13.62084085      9.86057646    -13.42911313
  H     14.66951151      6.21284367     -9.14507471
  O     13.42372665     12.93473370    -14.16069556
  H     13.62554915     11.38187218    -13.13005085
  H     15.29915560      4.51327920    -12.12452138
  O     13.30991536      8.66892315    -14.80181583
  H     18.98468686      7.71696997    -12.58404788
  H     14.25091978      5.33875950    -11.29540598
  O     16.45153498     11.60795269    -16.83453883
  H     17.57725346      7.63884364    -11.95530770
  H     18.29518343      6.32307090    -10.56559041
  O     12.98348765      5.83206755    -14.34977830
  H     18.22212260      9.34934503    -10.89240344
  H     17.63463741      4.93534211    -10.66995519
  O     13.93472499      6.19458015     -9.76867671
  H     17.29758064      9.93089416     -9.80241799
  H     15.97295932      7.96405373    -14.10222139
  O     14.50575011      5.05898762    -12.18912416
  H     18.31726410      6.02666117    -14.39387758
  H     16.66199853      8.86220740    -15.16480369
  O     17.91312640      5.60839844    -10.03759527
  H     17.05725968      5.25430722    -14.86772831
  H     16.14900388      8.36204702     -8.33110211
  O     15.96472731      8.21145551    -15.04070629
  H     14.63731924      5.50570455    -15.45197737
  H     15.94295710      9.73855069     -7.65948327
  O     16.03461058      9.30994829     -8.50725735
  H     15.72704553      6.53486161    -15.73206428
  H     17.63874179     10.61389894    -15.77265001
  O     18.01812268     10.08386311    -15.05978628
  H     17.30217308      2.93371680    -12.19939479
  H     17.64923570     10.43913713    -14.23524465
          69
 Energy    -248.82159167541766     
  O     17.54985369      8.16784921    -13.80465701
  H     16.79384378      8.72404255    -14.05078392
  H     18.61878448     11.39734676    -15.46612786
  O     16.88851903     11.62015769    -11.22766180
  H     18.14837772      8.73392107    -13.30220670
  H     13.78888956     12.28235807    -14.43330764
  O     15.58085741     12.32360818    -15.26177535
  H     15.98658474     11.33465806    -11.44657467
  H     12.49264724     11.45001200    -14.36387574
  O     12.86424515      6.11506731    -15.34735352
  H     17.02747034     11.37982489    -10.30392966
  H     15.50225545     10.59598519    -14.68479673
  O     15.38113843      8.42723001     -9.00065917
  H     16.12250956     12.77807537    -14.60171126
  H     15.00717749      9.92162416    -13.39895861
  O     15.98090394      6.58141367    -12.14597672
  H     16.17644134     12.06281230    -15.97715870
  H     11.70004067      8.69547493    -13.89248550
  O     14.40439979     10.75925676    -11.86012747
  H     12.39080419      5.38161542    -15.72981184
  H     12.16969280      7.23599899    -13.96610039
  O     16.40014453      8.70321129    -17.41937829
  H     13.72822531      5.77064293    -15.05659321
  H     19.13256245      9.07022244    -10.79711717
  O     17.35586202      6.46274636     -9.71372767
  H     15.96338097      7.66944339     -9.13708769
  H     18.46000618      9.31582373     -9.43323689
  O     17.45849272     11.17905859    -17.01722500
  H     14.69455352      8.35772224     -9.67586136
  H     16.05361997      5.62554669    -15.11275735
  O     17.54126043      6.51671742    -15.96048264
  H     16.44343286      6.40262500    -11.31781207
  H     15.50774255      5.63095043    -13.66541852
  O     19.08691136     11.62453428    -14.65431509
  H     16.57012883      7.13943936    -12.67384094
  H     17.15541258     12.83808350    -12.49672424
  O     13.04354642     12.06285937    -13.86046191
  H     13.78415059     11.23261268    -12.43462250
  H     17.37933822     14.29365222    -12.96388348
  O     15.37797522      9.73200552    -14.26950351
  H     14.03564627      9.90608297    -11.59398461
  H     18.22501486     10.56555827    -11.97649678
  O     11.91825688      7.93237452    -13.34624473
  H     15.45996358      8.64686121    -17.20567583
  H     19.18047788     10.55569843    -13.18886111
  O     18.93953253      8.65366469     -9.94723365
  H     16.80523377      7.91403215    -17.04035018
  H     16.43585090      9.79998244     -8.76870221
  O     15.31198376      5.33968958    -14.56677584
  H     17.78506322      5.79275106     -9.18893434
  H     17.08216902     10.80685851     -7.78797651
  O     17.28131500     13.39920503    -13.28057058
  H     17.99222419      7.19361195     -9.81483242
  H     13.50462269      7.70604851    -16.02770907
  O     18.94620127     10.06682238    -12.38630810
  H     17.79894080     11.48232503    -17.85534203
  H     14.35199013      8.90627208    -15.50319165
  O     17.12613569     10.48299576     -8.68342750
  H     17.10869764     10.28431921    -17.17150719
  H     13.03646025      8.02701681    -11.94797050
  O     13.81910574      8.59231187    -16.25153697
  H     17.66537188      7.09351101    -15.18578090
  H     14.49122195      7.57337692    -11.64627168
  O     13.77221311      8.13659596    -11.32782758
  H     18.37853092      6.08839980    -16.12120724
  H     10.95041379     10.15644068    -15.96207225
  O     11.65517216     10.05467832    -15.32688148
  H     18.57812901     12.33972594    -14.25161831
  H     12.37959564      9.59694699    -15.78383341
          69
 Ord_Energy   -248.821564    
 O   -7.21051073       5.01997805       1.19683909    
 H   -7.12444735       5.20084524       2.15133452    
 H   -7.94483566       5.53833866      0.880448341    
 O   -3.95394230      0.375617743       2.85723686    
 H   -3.83091879       1.33781755       2.91413832    
 H   -4.42976475      0.132481545       3.66029048    
 O   -2.77048421       6.51092625       2.07616448    
 H   -2.40068173       6.88894987       1.26815391    
 H   -2.11939549       5.85621405       2.37900043    
 O   -5.04632425      0.645237744      0.347068787    
 H   -4.66108274      0.441932887       1.21634138    
 H   -5.26825619     -0.191131234      -5.56893200E-02
 O   -5.27267838      0.281981170       5.36121941    
 H   -4.53849125      0.758650422       5.79207993    
 H   -5.59016943     -0.360302061       5.98957825    
 O   -1.51660979       7.07072878     -0.370990545    
 H   -1.59374070       6.23162031     -0.859537303    
 H   -1.51512671       7.76586771      -1.02386117    
 O   -1.54528081       4.66197157      -1.65117610    
 H   -2.17819071       3.96497226      -1.43865979    
 H  -0.673698723       4.27797985      -1.49087572    
 O  -0.374302477       3.92681241       5.23100710    
 H  -0.312458754       2.97414684       5.37022638    
 H   -1.28885746       4.15812063       5.44728565    
 O   -3.21792746       1.67844594       6.40334654    
 H   -3.26234961       2.63329816       6.26599598    
 H   -2.31253910       1.42277944       6.18504620    
 O   0.872167766       3.49799919     -0.679031193    
 H    1.54009974       2.88000083     -0.963674426    
 H   0.307777345       3.02739120      -4.18032706E-02
 O  -0.800629616       4.71809101       2.66151118    
 H  -0.517079473       4.48262596       3.55626369    
 H   -8.05358067E-02   5.16275692       2.19128942    
 O   -3.26261187       2.69306016     -0.498827308    
 H   -3.84390950       1.93553352     -0.368470609    
 H   -3.71870875       3.44683766      -9.06099230E-02
 O   -6.51644897       2.58515573       4.24782181    
 H   -6.24361038       1.78288496       4.70752001    
 H   -6.86187506       2.32474732       3.37786818    
 O   -4.28771973       6.73758554       4.38926840    
 H   -4.25092363       7.62462521       4.74003220    
 H   -3.75977206       6.74113274       3.57407594    
 O  -0.574927986       1.08709657       5.53772926    
 H  -0.728521466      0.812884927       4.61625242    
 H    8.81102309E-02  0.500223696       5.89128399    
 O   0.879549503       5.93153381      0.849777222    
 H    1.03807819       5.16895199      0.278287292    
 H   0.183926508       6.44247627      0.418202817    
 O  -0.963133633       2.45666718       1.08863139    
 H   -1.76702356       2.48257422      0.552379787    
 H  -0.982265532       3.22143912       1.68462157    
 O   -3.14737177       4.32945013       5.42842293    
 H   -3.32103443       3.86315489       4.59513807    
 H   -3.52251077       5.20686150       5.30446053    
 O   -1.13172209      0.383133382       2.97865343    
 H   -2.07606316      0.189563766       2.92546225    
 H  -0.965513527       1.04633737       2.29545617    
 O   -6.75953722       5.36034918       3.83324361    
 H   -5.94667816       5.80752277       4.09595203    
 H   -6.72247314       4.46071005       4.18645763    
 O   -4.03191280       3.10233784       3.11771250    
 H   -4.90714073       2.98083138       3.51719403    
 H   -4.16034937       3.63148665       2.32221413    
 O   -4.47893858       4.70170879      0.856622219    
 H   -5.41968536       4.91517544      0.896071255    
 H   -3.97148943       5.43488979       1.22827649    
 O   -7.18628597       2.15685320       1.62331295    
 H   -6.51572132       1.71582294       1.08956265    
 H   -7.24182510       3.06869841       1.31244564    
          69
 Energy    -248.82139434821045     
  O     -1.35648534     -1.08912391      2.07726209
  H     -2.04718838     -0.81849078      2.70343686
  H     -3.88151262      2.45922595      2.23844860
  O      0.66824418      0.10966041      5.80940957
  H     -1.46091215     -0.52319063      1.30307294
  H      0.72707635      1.67549590      1.73511946
  O     -6.73599151     -1.00457978      4.86412663
  H      0.25385164     -0.76945820      5.73465427
  H      1.43772036      2.46105156      0.60507428
  O     -5.61141580     -0.81434992      2.26461033
  H      1.42924393      0.00496658      6.37463439
  H     -1.89675667      4.84767085      5.13655230
  O     -4.67206336     -2.92375686      0.64254863
  H     -6.54434132     -0.92056677      3.92133164
  H     -1.61717474      3.95273812      3.90952628
  O     -1.73508647      0.85786846      0.12646099
  H     -6.33750861     -1.84386891      5.12243055
  H     -0.65654937      3.45047485      1.76737341
  O     -3.85530136     -0.76148948     -0.80525016
  H     -4.81786594     -0.64071595      2.79371237
  H     -2.19029118      3.59749964      1.75086358
  O     -0.99133629     -3.58446400      3.05931089
  H     -5.42523969     -1.61174919      1.75386127
  H     -0.76740684      1.20204645      6.31241407
  O     -0.58813481     -2.26535836      5.57377007
  H     -5.11673470     -3.50823044      0.03342840
  H     -1.56452507      2.49278259      6.00331763
  O     -3.21830587     -1.67014268      6.20595411
  H     -4.28434586     -2.21128584      0.10460575
  H     -3.29788546     -0.74387274      4.61757768
  O     -5.25259779     -3.40746322      5.42162950
  H     -0.89937305      1.32902759      0.22626999
  H     -3.48316027      0.64593303      3.92486928
  O     -3.68144982      2.49461439      1.29010780
  H     -2.40725300      1.41710077      0.54508200
  H     -6.76001043      1.25954662      0.07665185
  O      0.58061650      2.26673795      0.97349266
  H     -4.56666641     -0.12989803     -0.64044623
  H     -5.85251157      0.42696607      1.01281728
  O     -1.87522267      3.93867413      4.84818901
  H     -3.03694888     -0.27176739     -0.65339440
  H     -2.89539317      1.02569656      7.37883059
  O     -1.38870316      3.92694985      2.17735035
  H     -1.06949375     -2.72052838      2.61609463
  H     -3.64236644      0.77664711      8.71220512
  O     -1.53338953      1.72272289      6.58332778
  H     -0.35333628     -4.09144157      2.56389675
  H     -6.13559782      0.56055978      5.61578703
  O     -3.32629972     -0.29391987      3.76422459
  H     -1.49803774     -2.12297637      5.87285607
  H     -5.10904604      1.11447072      6.63584561
  O     -5.85079979      1.02846017      0.24763254
  H     -0.64971461     -2.80201795      4.77617077
  H     -2.84940485     -3.89740845      3.19360857
  O     -3.66625039      0.58210491      7.77946844
  H     -3.46052617     -0.98441327      6.84165806
  H     -4.06866857     -3.62125406      2.29386693
  O     -5.70182761      1.37123373      5.92009351
  H     -3.96424775     -2.27230438      6.09080667
  H      0.08689076     -0.11527237      2.74279386
  O     -3.81401122     -3.91567169      3.17651318
  H     -5.58777051     -4.23275755      5.76135602
  H      0.80903449      0.47441393      3.96744021
  O      0.77237732      0.51350491      3.00545343
  H     -4.76659183     -3.61812477      4.60362710
  H     -4.72506030      2.12142339      4.68117754
  O     -4.06985085      2.36604706      4.00865051
  H     -4.46328590      2.15485192      0.83982745
  H     -3.41359159      2.94465171      4.41316015
          69
 Energy    -248.82123537347974     
  O     10.35728794      9.90704416    -12.32588405
  H     11.15836799     10.41649305    -12.50519259
  H     16.03596716      6.50443206    -17.94056510
  O     14.05858839      7.34613467    -15.53762569
  H     10.06066519      9.56213739    -13.17745194
  H     18.80168356      8.28680344    -15.67578032
  O     17.38074528     10.28211874    -10.93415584
  H     13.41456140      8.06769405    -15.56918479
  H     17.88387571      7.21450741    -16.29176036
  O     18.77719565     10.26132045    -15.62979963
  H     13.81420665      6.77053342    -14.79819229
  H     15.65063217     12.15052315    -13.97458710
  O     12.36400428      9.51261018    -15.33713379
  H     17.51764707      9.32097783    -10.84033619
  H     15.06377759     13.57119650    -14.14975241
  O     15.52993168      5.83326099     -9.84798708
  H     17.89774070     10.69730877    -10.24928307
  H     16.10020353      9.45594715    -13.94407233
  O     13.43721415      5.91289932    -13.24374440
  H     19.52036560     10.64518894    -16.08748178
  H     15.15464332      8.29119562    -14.42191859
  O     14.65520281      9.57643175    -11.37356770
  H     18.04616200     10.20399008    -16.27561340
  H      9.89111234      7.69689249    -10.10241940
  O     16.68952634      9.94467128    -17.26334427
  H     12.55014636      9.98015220    -14.51077379
  H     10.48736624      8.54286850    -11.25325561
  O     15.76696202      4.67386764    -12.50574176
  H     11.45073954      9.20552627    -15.28058095
  H     16.90049291      7.30234200    -13.38548508
  O     17.03855040     11.09896544    -13.64022890
  H     15.35407338      5.36814198     -9.03366693
  H     18.12989399      6.73600465    -14.10823210
  O     16.19871039      7.14225170    -17.24986101
  H     14.70830924      6.29182744    -10.08938053
  H     11.56483764      6.05978907    -13.39535681
  O     18.66942713      7.33418566    -15.74289615
  H     14.20118090      5.33227593    -13.11065079
  H     10.55928555      6.67762982    -12.40343334
  O     14.83645265     12.64502624    -14.17097875
  H     13.37850258      6.43498950    -12.43317691
  H     17.80858674      7.21706056    -11.57801035
  O     15.68384802      8.62463467    -13.68792981
  H     14.95996688      9.14360161    -12.19009693
  H     16.96945033      7.02804976    -10.30436110
  O     10.58507701      7.71074004    -10.75589225
  H     15.45285858      9.95139203    -10.98666049
  H     13.55823188     10.60487112    -16.31647867
  O     17.60277504      6.64025484    -13.30458777
  H     15.84499383     10.39076937    -17.10490393
  H     14.45091607     11.76384733    -15.84335492
  O     10.65638875      6.37925188    -13.31597969
  H     16.49200854      9.01021353    -17.39531764
  H     13.75062600      8.12412910    -10.85401365
  O     17.62841057      7.60380387    -10.70885877
  H     16.48450470      5.21297091    -12.86750049
  H     12.38741765      7.39825982    -10.62986945
  O     14.30860298     11.15378677    -16.57627090
  H     15.74584710      4.88642464    -11.56538132
  H     13.43859513     11.67721511    -13.37126808
  O     13.33684234      7.25713905    -10.73125188
  H     17.27593217     10.84099036    -12.73972405
  H     13.43921094     10.53292997    -12.33853148
  O     12.88430973     10.98563150    -12.98896529
  H     17.75772764     10.85785522    -14.24075169
  H     10.09399148      7.68900150    -14.32006941
  O      9.82293753      8.50726703    -14.77481623
  H     15.41230711      7.13924094    -16.67954391
  H      9.03077173      8.30387859    -15.26404836
          69
 Energy    -248.82122308178430     
  O     16.48657729     11.24019198    -14.51667949
  H     15.86570785     10.81861660    -13.90977035
  H     13.81379482      3.80670447    -17.35537805
  O     14.06483375      7.05206198    -15.86624297
  H     16.41961193     10.77726343    -15.36246079
  H     19.07483350      5.43122051    -15.10512928
  O     18.27034959      6.18544192    -11.92801343
  H     14.01250780      6.17020917    -16.26001604
  H     18.49777903      5.53227677    -16.56136438
  O     18.57018716      6.31976603    -18.12184237
  H     14.98272783      7.16613746    -15.57009894
  H     18.28480688      9.38654333    -17.47767835
  O     15.86525638      6.31179886    -18.77964316
  H     18.04922550      7.10797834    -12.13977254
  H     19.50092167      9.72214136    -18.37012053
  O     15.14343154      9.00049451     -9.78139059
  H     19.03498420      5.98648844    -12.47824381
  H     17.06039527      7.85007509    -14.31287000
  O     13.89644905      7.18679787    -13.09841623
  H     18.84146001      7.24310904    -18.08930917
  H     17.24759031      6.69227087    -15.33685419
  O     17.61412488      8.66208290    -12.72325038
  H     17.65593823      6.31238666    -18.44427241
  H     14.90688328      4.08574241     -9.18728441
  O     15.95625703      3.92189311    -15.05027901
  H     15.37138890      5.64719222    -18.28346972
  H     15.61137501      5.40032361     -9.60644546
  O     13.28379427      7.09809800    -10.35359403
  H     15.35274815      7.12381556    -18.70805408
  H     14.06931085      8.15673719    -17.27953692
  O     20.20563895      8.60420775    -15.08947241
  H     14.42613093      8.35348272     -9.91134554
  H     13.45361540      8.98737276    -18.43009981
  O     14.32210788      4.56177452    -17.07386769
  H     14.93720178      9.47959248     -8.98263595
  H     21.25349286      5.87487455    -13.90108944
  O     18.30738720      5.23971509    -15.65519439
  H     14.55581507      6.49685465    -12.93020398
  H     20.31802381      7.03376738    -14.31222345
  O     19.18773379      9.11165959    -17.70714139
  H     13.70134836      7.14714947    -14.04213671
  H     15.38349912      4.85800766    -11.64706485
  O     16.71500300      7.47147077    -15.12957989
  H     16.73478853      9.04094209    -12.58854121
  H     16.62903260      5.43706243    -12.36223291
  O     14.88402338      4.79038846     -9.82856452
  H     18.20338174      9.38577496    -12.96538013
  H     17.47329068      6.48594946    -10.22579013
  O     14.28155092      8.67453338    -18.07523632
  H     15.79347457      4.23799197    -14.15308972
  H     16.46299380      7.50049903     -9.62124717
  O     20.33838361      6.14320873    -13.91788176
  H     16.83941927      4.24200288    -15.28573093
  H     14.59194801      8.86768725    -12.80253993
  O     15.72009315      5.13909521    -12.50693226
  H     13.28413953      7.12716064    -11.32054943
  H     15.05927040      9.64297076    -11.55394300
  O     16.85711802      6.62948230     -9.49515726
  H     13.65980510      6.24120627    -10.11554133
  H     18.16587708     11.08738394    -14.04475651
  O     15.06246079      9.66584369    -12.52049245
  H     19.94790837      8.71796372    -16.01242399
  H     19.43684009     11.61882995    -13.33876256
  O     19.05476988     10.83917280    -13.73229625
  H     19.91958720      9.40842681    -14.64034802
  H     16.70418721      8.83789714    -16.25689187
  O     16.61756793      9.60922219    -16.84099092
  H     14.90648992      4.25557176    -16.35515879
  H     15.83374306      9.44958282    -17.38032747
          69
 Energy    -248.82098635236542     
  O     15.81490548      9.88548039    -16.49315088
  H     14.89212929      9.85001363    -16.22269480
  H     18.91977255      4.55054795    -11.76861453
  O     16.23002556      4.55750125    -13.39937099
  H     16.28897950      9.33306458    -15.85164816
  H     19.25523427      9.88681256    -17.19990229
  O     16.53575236     13.21608175    -10.87246502
  H     16.11254667      4.56055561    -14.35679994
  H     20.54263258     10.74238601    -17.26805341
  O     19.80504474      8.94733000    -14.32771300
  H     15.39061981      4.86655917    -13.03759162
  H     18.02299596      8.53080786    -14.51064268
  O     15.59517498      4.87761397    -16.16962994
  H     16.45869842     14.15207238    -11.03771825
  H     17.28747467      7.50080689    -15.37889167
  O     16.79951304      9.37530556     -8.91008896
  H     16.69999944     12.79259775    -11.73279597
  H     12.48339788      9.95747146    -15.30144490
  O     15.49708463      8.04976794    -12.58080002
  H     19.92269428      9.55051001    -15.07298883
  H     13.66230603      9.95967208    -14.30658095
  O     16.99963768     11.72561098    -13.13354098
  H     19.69831662      9.46451056    -13.51800318
  H     16.85911350      7.84319506    -11.47803536
  O     19.76109259      6.13966191    -14.64164044
  H     15.16368283      4.23446966    -16.72646993
  H     18.07311063      6.91125771    -11.26964809
  O     13.85448793      5.89649760    -12.57829099
  H     14.92820749      5.55449984    -15.95700160
  H     13.61349422      6.38460576    -14.40672752
  O     17.91907673      6.36187529    -16.67530379
  H     16.78492774      8.93425722     -8.06377149
  H     13.60767631      7.63677720    -15.30504092
  O     18.51523356      5.32661983    -12.14916540
  H     17.14349864      8.73247105     -9.55116310
  H     17.92395928     12.24457590     -9.96161394
  O     19.83727153     10.47508699    -16.68504865
  H     15.09758576      8.92790968    -12.56997973
  H     17.98084473     10.87225264     -9.27070177
  O     17.14189755      8.19850842    -14.72649870
  H     16.05046764      8.00606534    -13.37750408
  H     18.98624284     10.63692124    -11.17976229
  O     13.33180891      9.55653484    -15.12620037
  H     17.66217869     11.11808280    -12.77914912
  H     18.57612723      9.21983406    -11.64382629
  O     17.67525242      7.73585696    -10.96503294
  H     17.22547578     11.90504002    -14.05801441
  H     15.38182222     10.46051326     -9.68088754
  O     13.74130202      6.68264581    -15.31663206
  H     19.40441675      5.84848313    -13.79506059
  H     15.29704560     11.88209666    -10.25861546
  O     18.53366496     11.55252857     -9.67573081
  H     19.94966712      7.08238556    -14.53152053
  H     18.05818314      7.94481163    -17.65080486
  O     18.93118347     10.06244348    -11.95679850
  H     13.26457174      5.89320411    -11.82949435
  H     17.18997177      9.21966077    -17.70992398
  O     14.79092701     11.06671107    -10.14316094
  H     14.41594361      6.68841624    -12.49479908
  H     14.37959286     10.75737792    -11.87463727
  O     18.05335337      8.86361507    -17.95427954
  H     17.19296675      5.73253829    -16.58864848
  H     15.32701198     11.00985307    -13.06472143
  O     14.48110255     10.60234261    -12.82554255
  H     18.61469102      6.12863852    -16.03995840
  H     16.88335490     11.37110018    -16.12988443
  O     17.56388421     11.96009112    -15.77471136
  H     17.70093701      5.02647476    -12.59166094
  H     18.40331095     11.60437267    -16.08923190
          69
 Energy    -248.82058266603605     
  O     15.42689833      9.60989934    -16.17090740
  H     15.90861944      9.22624824    -15.42559094
  H     12.49307873     11.17457881    -15.01433664
  O     15.35310916     13.33859082    -15.24616803
  H     14.72344238     10.15056794    -15.79282143
  H     17.03249135     10.09096231    -18.84040137
  O     19.65156725     10.25229900    -10.37257449
  H     16.02466354     12.71697356    -14.92260249
  H     16.44939908     10.25578024    -17.41866871
  O     20.29448552     12.47171277    -11.85180409
  H     14.53130408     12.83744230    -15.20172630
  H     16.36302711     12.88623460    -11.07829232
  O     14.09335936     10.80551173    -12.33199984
  H     19.91712540     11.07787557    -10.81029415
  H     15.28692853     13.14958873    -10.00014295
  O     16.86352693      9.97787024     -9.95995973
  H     20.36083192     10.01727333     -9.77863130
  H     20.41299738     16.11492976    -14.55552768
  O     16.87805888      8.87934057    -13.85292099
  H     20.49519940     12.03101351    -12.69179808
  H     19.06327149     15.97949545    -13.82415159
  O     16.51302217     13.47338100    -17.83492751
  H     20.82940597     13.27470102    -11.81093889
  H     20.37722959     11.20852767    -14.99065614
  O     18.90747550     14.07082401    -16.66609245
  H     14.40827847      9.92976011    -12.07712191
  H     21.61186625     11.94107818    -14.40614081
  O     21.68905461     14.86069720    -12.06354470
  H     14.55173163     11.42918478    -11.75692562
  H     15.92867667      8.88131864    -10.91204741
  O     19.01882974     11.35297882    -16.16598471
  H     16.47861069     10.85847315    -10.05203559
  H     15.07256814      7.60030159    -11.07755249
  O     13.43399529     11.29329350    -14.91623321
  H     17.81900820     10.07787350    -10.05141936
  H     20.35429903     15.02328535    -16.46219645
  O     17.06367215     10.64648178    -18.06630430
  H     16.36365997      8.59907183    -13.08628509
  H     21.44913365     15.99766249    -16.95679550
  O     15.64104545     12.47459136    -10.57376801
  H     17.81610510      8.82357271    -13.61355280
  H     18.04554043     14.67735078    -15.12206143
  O     19.99035584     16.20804069    -13.69080269
  H     15.98329212     13.49013603    -17.02618657
  H     16.60514811     14.67102140    -14.60559387
  O     20.97758936     11.22993896    -14.23190119
  H     16.64574083     12.53831244    -18.03576608
  H     22.37886352     13.99203223    -13.68356301
  O     15.36975236      8.38157826    -11.53510039
  H     18.10004244     14.04738740    -17.20031191
  H     22.11020142     14.18362245    -15.17987754
  O     21.14855267     15.51631249    -16.19053843
  H     19.11064018     13.14363733    -16.48080626
  H     19.54922846      9.32062406    -12.08905128
  O     17.49628965     14.96785047    -14.37964440
  H     22.18019442     15.47072447    -11.52034384
  H     20.10944057      9.66352551    -13.47747407
  O     22.45332462     13.55036180    -14.53761837
  H     21.05754922     15.39084087    -12.58279426
  H     17.00342049     10.68344602    -13.93351150
  O     19.50235548      9.06983103    -13.01848100
  H     18.38986639     11.43582179    -15.43030303
  H     17.39509686     12.07603653    -13.32346282
  O     17.20810684     11.60471157    -14.14184717
  H     18.50424346     11.02301202    -16.91201600
  H     18.62788545     13.15525847    -11.93789380
  O     17.70679449     13.42047108    -12.06374658
  H     13.63994793     11.12504670    -13.97904987
  H     17.67074278     14.03973255    -12.80603178
          69
 Energy    -248.82044206718817     
  O     14.65154772     10.85769676    -12.96987030
  H     15.58375741     10.87758076    -12.71512804
  H     14.40692313     13.86626659    -16.04680773
  O     17.50486187     12.24496993    -14.54682227
  H     14.34907179     11.77425849    -12.99040981
  H     18.33914907      9.99282070    -17.08731221
  O     15.51138718      7.65049298    -11.55393211
  H     17.62978731     11.57085040    -15.22496974
  H     17.52792916      9.39575795    -15.91351285
  O     11.25721731     12.45445979    -13.15456874
  H     16.78025161     12.79952932    -14.86235854
  H     14.68201906     12.98316145    -10.00157340
  O     12.89083029     14.19386455    -16.98827278
  H     15.19674276      7.34186112    -12.41368761
  H     14.35005078     14.43182850     -9.56929317
  O     14.99446463     11.11848110    -16.94449042
  H     14.80674532      8.19378273    -11.18421641
  H     17.76012520      8.21865940    -13.86363951
  O     13.83153123     13.50608897    -12.98078531
  H     11.26282437     11.58143355    -13.57044353
  H     16.58568051      7.62147610    -14.65697772
  O     13.88093056      9.38127884    -15.08067183
  H     11.31266043     12.31567445    -12.19758213
  H     16.21922830     11.38675493    -10.50849757
  O     18.05886345      8.44377201    -12.01059667
  H     12.77391122     13.44841761    -17.58922978
  H     14.94462611     10.72887143     -9.92396601
  O     11.86083339     12.01080645    -10.51310232
  H     12.09958432     14.20690033    -16.43546191
  H     10.84065357     10.34446924    -15.23864526
  O     10.46262643     11.35463740    -16.67187436
  H     15.89003294     10.75750167    -16.93887346
  H     12.14013508      9.69978240    -14.70368999
  O     15.07028263     13.47275705    -15.46041390
  H     15.01552237     11.91995769    -16.39877713
  H     14.31846974      6.23789224    -14.56363857
  O     17.57943411     10.14636135    -16.53183153
  H     12.90422960     13.24716254    -13.08026824
  H     14.41993908      7.78095160    -14.59397598
  O     14.11466445     13.75127764    -10.19368235
  H     13.97111253     13.72913098    -12.05167859
  H     13.55715183     11.42228418    -17.96607412
  O     17.40954643      8.11292986    -14.75661489
  H     14.18249289      9.87758296    -14.30126661
  H     12.84651007     11.52233999    -19.33387867
  O     15.54395245     11.47584413     -9.82043707
  H     14.20278290      9.87854111    -15.84173125
  H     11.12910097      9.02840426    -12.88723213
  O     11.24500329      9.96085560    -14.44653857
  H     18.67910506      7.99178435    -11.44506595
  H     10.34284245      8.38102707    -11.73702357
  O     14.83278840      6.97376704    -14.24192868
  H     17.16918494      8.13240742    -11.76137257
  H     17.46288426     11.57865608    -12.88266125
  O     12.72758778     11.68110704    -18.40061595
  H     12.31483327     11.16205787    -10.46478438
  H     17.66154682     10.25936786    -12.05513428
  O     11.22707691      8.59758683    -12.02367339
  H     12.52359530     12.67186583    -10.27605353
  H     10.73046874     13.47646264    -14.52719052
  O     17.23815042     11.12695338    -12.05410487
  H     11.18022861     11.39593668    -17.31644014
  H      9.83640653     14.54964162    -15.18472896
  O     10.52652008     13.91700083    -15.36874000
  H     10.35849131     12.25502893    -16.34009855
  H     13.87843759     10.05056639    -11.59426343
  O     13.50084963      9.58613189    -10.82928547
  H     14.70737180     13.56574112    -14.56885007
  H     12.70036443      9.14358360    -11.15074441
          69
 Energy    -248.81974968865018     
  O     12.14036560      9.54403971    -15.50222945
  H     12.74066033     10.29284949    -15.59353052
  H     16.35759625      9.69978775    -16.89207761
  O     15.77346571      6.57326795    -11.90039877
  H     12.60452266      8.77490012    -15.85859980
  H     16.10546934      8.09036215    -14.42595753
  O     17.25047891     10.91306284    -12.09625767
  H     15.50039851      7.11160970    -12.66020797
  H     15.13152267      9.14753067    -13.75360371
  O     13.21567979      4.90900533    -14.78121406
  H     15.06302164      6.67231928    -11.25452061
  H     11.35432837      9.10542396    -14.01465104
  O     13.76496917     10.88831908     -8.97435663
  H     17.03403695     11.30902049    -11.23888106
  H     10.01428949      8.90619643    -13.26837860
  O     13.57416047      7.24263183    -10.35066278
  H     17.45199011      9.98472710    -11.90948045
  H     17.81084714      8.70489067     -9.67127538
  O     14.68297995     10.78558739    -13.07572766
  H     12.86119945      5.36517308    -13.99618738
  H     18.41909342      8.76252473     -8.25311753
  O     14.90140390      8.35022238     -8.20393090
  H     12.72734589      4.09455195    -14.86545664
  H     11.73772920      7.09544619    -12.85907977
  O     17.43062843      7.05545116    -15.33925490
  H     13.09335661     11.39106054     -8.51993118
  H     12.64218749      6.42503024    -11.80814325
  O     16.05396468      4.95680454    -14.19746192
  H     13.35362734     10.54364572     -9.78408176
  H     19.06004360     11.74858751    -14.65022471
  O     19.26272840      8.37794086    -13.75415805
  H     13.32513555      8.10127787    -10.71928010
  H     18.04744219     11.09016876    -13.68918584
  O     16.35938453     10.57484946    -16.48802005
  H     14.00273913      7.44739917     -9.50702394
  H     18.50153405      8.21879950    -12.14541839
  O     15.23496396      8.22980348    -14.02919276
  H     15.57973240     10.97844753    -12.77008137
  H     17.19945355      7.61734181    -11.52237910
  O     10.95897743      8.81846532    -13.17231294
  H     14.50635540     11.25509217    -13.90020658
  H     16.94364736     10.74024188     -9.15077328
  O     17.64780802      9.00293472     -8.76030790
  H     15.84978940      8.48291287     -8.32172955
  H     15.57266442     11.41010496     -9.34338655
  O     12.21818159      6.28222539    -12.66342801
  H     14.50522058      9.22388862     -8.31258681
  H     15.92604027      7.69839921    -18.51945977
  O     18.43940157     11.02680709    -14.57645705
  H     17.01470279      6.23872418    -15.01945871
  H     15.13681735      7.69237248    -17.18908758
  O     17.89803789      8.27348801    -11.38980277
  H     17.08322148      7.23676369    -16.21920169
  H     12.08221769      9.52529197    -11.87644884
  O     16.51108781     11.50960527     -9.54475828
  H     16.03987552      5.28434510    -13.28762335
  H     13.48766262     10.17159243    -11.93303028
  O     15.98026787      7.94710704    -17.60029389
  H     15.12736120      4.85210088    -14.44360423
  H     13.92489204     12.52377523    -16.07386557
  O     12.82611899      9.80234865    -11.32803436
  H     19.16570556      9.26981089    -14.10520531
  H     14.88625367     11.31064234    -16.01168575
  O     14.06669564     11.68645912    -15.64096530
  H     18.74476370      7.81464317    -14.34839668
  H     14.21969520      7.66100826    -15.33250675
  O     13.75063251      7.31212344    -16.11014846
  H     17.13055918     10.64071128    -15.91150315
  H     13.47236593      6.42471079    -15.85394115
          69
 Energy    -248.81958955074055     
  O     21.19904837     11.93070583    -18.73727226
  H     21.58500176     12.74754045    -18.37100858
  H     18.07563267     12.88395955    -18.90995277
  O     16.23497025     17.88570665    -13.46936269
  H     21.87148924     11.52420756    -19.27623468
  H     19.30577035     18.54061127    -17.72942447
  O     22.37053791     14.89661601    -14.89887315
  H     15.89172250     18.76482747    -13.33771177
  H     19.24548639     17.03329624    -17.38762798
  O     14.22923587     13.78625028    -14.15391399
  H     16.24973582     17.72791006    -14.43128405
  H     14.85439814     12.03035786    -14.02846302
  O     17.05834219     12.24943242    -17.49527497
  H     21.84605264     15.71697219    -14.88457942
  H     15.25006705     10.78542627    -14.86581625
  O     17.38828021     10.23851035    -12.65679839
  H     23.17671870     15.08206576    -14.42424278
  H     20.34618682     17.51724518    -15.56119333
  O     15.77924915      9.95266188    -16.50429091
  H     13.29626591     13.97621561    -14.09976539
  H     20.19576021     17.06762766    -14.10031893
  O     21.99967295     14.26790571    -17.63796706
  H     14.66583814     14.32798047    -13.47170264
  H     18.43388823     11.70442561    -12.20999298
  O     19.40875797     15.34047749    -17.67271869
  H     16.62346253     13.02586283    -17.11666916
  H     19.59296829     12.56535057    -12.76217647
  O     15.49723232     15.36563171    -12.38082636
  H     16.53043751     11.47819843    -17.25652060
  H     18.76702646      9.98424198    -15.66401245
  O     20.49687540     12.85216237    -14.31359796
  H     16.57725113     10.59084088    -13.06645943
  H     18.02170187      9.61682360    -14.35599614
  O     18.75654602     13.33670203    -19.42790891
  H     17.11027270      9.59276336    -12.01199937
  H     17.92846889     17.18164607    -13.17392197
  O     19.10829969     17.92763736    -17.02560858
  H     16.61046646      9.64411786    -16.09819243
  H     18.57107278     16.04608961    -12.33662758
  O     15.20157920     11.13267720    -13.96673977
  H     15.38376067      9.19855873    -16.93263477
  H     16.26091002     16.40767548    -16.30416515
  O     20.83955312     17.15314592    -14.81776110
  H     22.29394930     14.44255130    -16.73693792
  H     17.31411266     17.54491638    -16.45580346
  O     18.96297940     12.49146711    -12.03243037
  H     21.15954602     14.74072675    -17.72210370
  H     18.13113417     14.82048557    -10.16352788
  O     18.12809174      9.36725223    -15.28253500
  H     19.11199737     15.03597591    -16.80380956
  H     18.33082646     13.95091569    -11.42670686
  O     18.72641370     16.64556749    -13.07852894
  H     19.09938313     14.71349874    -18.34216199
  H     18.72352408     11.78604054    -16.81018873
  O     16.44720602     17.33063848    -16.09035447
  H     16.29152560     15.10478383    -11.89924456
  H     20.17440307     11.48671731    -17.26950919
  O     17.98613486     14.80427271    -11.10549940
  H     15.66336653     16.25827165    -12.70914833
  H     18.57533525     15.38715103    -14.45243794
  O     19.57904238     11.44669816    -16.51048894
  H     20.30421792     12.31124511    -15.09340774
  H     19.13042997     13.97642114    -14.77100335
  O     18.52389893     14.65863200    -15.08331768
  H     21.20877400     13.46809366    -14.52710438
  H     15.35819266     14.25976594    -15.55048544
  O     16.04136318     14.49288260    -16.19135860
  H     19.54759348     12.78756341    -19.37040367
  H     16.88588746     14.50386374    -15.71099933
          69
 Energy    -248.81947253145788     
  O     11.52949190      3.43866148    -12.31791791
  H     11.29809628      3.48979840    -11.38111647
  H     19.63443898      6.49187852    -15.63637748
  O     17.46519428      4.37939860    -10.17734444
  H     11.47383324      4.34744767    -12.62923190
  H     17.54742737      6.42382558    -12.28084760
  O     14.41185522      8.31761561    -11.54624721
  H     16.84548086      3.64183901    -10.19215389
  H     18.28123733      5.85972593    -13.51908236
  O     15.77326633      9.55515623    -15.53905781
  H     17.66543086      4.60988757    -11.09382231
  H     14.05585382      5.16250673    -10.78612644
  O     17.37080975      6.74225056     -8.86468370
  H     13.85839640      8.60536364    -10.81143526
  H     14.64832522      5.08166692    -12.23761869
  O     13.82452007      4.33403410     -9.15519211
  H     14.38196891      7.34563929    -11.53227705
  H     14.63362230      2.80869877    -12.91563067
  O     15.48381920      2.27919873    -10.05367618
  H     15.85492746     10.42134433    -15.92928241
  H     13.19992359      2.57923839    -12.37284413
  O     13.68947249      8.18677313    -14.22517912
  H     16.51363232      9.45853180    -14.91304425
  H     13.44500098      7.96411234     -8.81938591
  O     16.64837066      7.01993561    -16.58180118
  H     18.08033169      6.78003465     -8.22850308
  H     12.59057748      9.24376288     -8.63519480
  O     11.06169485      4.06981508     -9.57486699
  H     17.40653392      5.85702181     -9.27113456
  H     11.11250264      6.70983773    -11.32252320
  O     17.87714107      9.07704026    -13.88210878
  H     14.35230793      3.54507376     -9.33427872
  H     11.54133400      7.33963563     -9.97792700
  O     18.87688080      6.65840781    -15.08238702
  H     12.88862581      4.10322837     -9.21647517
  H     17.30855951      7.69399198    -10.48315749
  O     17.80307295      5.60083766    -12.72123437
  H     15.72230339      1.40024954     -9.77208850
  H     16.20998515      8.22374885    -11.43467547
  O     14.12986150      5.62367595    -11.62949020
  H     14.99119429      2.18376659    -10.88932075
  H     15.54612477      6.87798319     -8.37889444
  O     14.09862682      2.22564439    -12.35795945
  H     14.28907062      8.73174673    -14.75085348
  H     14.32890775      5.93184953     -8.41709989
  O     12.80187293      8.55300676     -9.25710198
  H     13.94885125      8.33232729    -13.30334973
  H     12.23613731      7.06858797    -13.55882282
  O     10.97393190      6.66356230    -10.36944966
  H     16.35359942      7.92156137    -16.40457358
  H     12.64655201      5.99175305    -12.54550914
  O     17.15049047      8.00004136    -11.38448180
  H     15.88720320      6.45961821    -16.37815147
  H     15.19818284      4.72737734    -14.32673765
  O     14.59648585      6.83951432     -8.21584721
  H     10.97120440      5.01418416     -9.79949323
  H     16.40115732      4.65612656    -13.33732943
  O     11.89363942      6.30665867    -13.07453471
  H     10.31828837      3.84438099     -9.02212208
  H     11.74712291      5.18228187    -14.62289693
  O     15.55711056      4.24562252    -13.56890750
  H     17.71377111      8.83124113    -12.96209936
  H     11.74486035      3.67504061    -14.87081038
  O     11.91212953      4.51415836    -15.30265786
  H     18.36044885      8.33753948    -14.27054294
  H     13.55476788      5.27357687    -15.66329281
  O     14.37373742      5.77430377    -15.54982986
  H     18.10462813      6.72295002    -15.67319773
  H     14.14123225      6.59375883    -15.09064463
          69
 Energy    -248.81939534038372     
  O     16.57945167      8.82593521    -16.93626120
  H     15.69144572      8.51922084    -16.70174682
  H     16.70060973      2.18145865    -15.70471272
  O     13.67190326      2.90950516    -15.74625506
  H     16.88157871      9.36798525    -16.19966695
  H     21.15019853      3.31025621    -15.15665484
  O     17.95415242      6.03340071    -11.73517083
  H     14.50423649      2.44816745    -15.95736440
  H     20.03410876      4.02395983    -15.95831424
  O     19.32315875      4.47603750    -17.48161347
  H     12.95953060      2.31476841    -15.96399178
  H     19.30155257      7.57984832    -16.38916651
  O     16.75214564      3.69843710    -18.52556004
  H     17.52563775      5.17419180    -11.85417368
  H     17.93781700      7.70408921    -17.11936905
  O     13.49581286      7.05702429    -10.57436931
  H     17.47696222      6.65867866    -12.30270100
  H     17.24413511      4.74463604    -15.08784477
  O     14.17351180      4.22655204    -13.31771846
  H     18.50800416      4.12539714    -17.85851889
  H     17.62507704      6.01855559    -15.92167640
  O     16.59057237      7.62059310    -13.51969755
  H     19.21144681      5.43800641    -17.47163286
  H     14.17419286      6.86772954    -16.62023591
  O     17.73060629      3.05586256    -14.48553216
  H     16.58593597      3.69493861    -19.46540689
  H     13.87979743      7.54320467    -15.26873772
  O     13.14172702      4.21752425    -10.70363785
  H     16.06795196      4.26102156    -18.12733942
  H     14.56632450      3.66204470     -9.84147637
  O     20.22003647      8.48036227    -14.97524765
  H     14.39550870      6.86471092    -10.25450608
  H     15.32431288      2.85630780     -8.75772505
  O     16.08857544      1.89168100    -16.39714229
  H     13.13202434      7.71473722     -9.98762008
  H     15.52673448      5.34815069    -16.42415080
  O     20.35038326      3.82014042    -15.05891529
  H     13.93862501      3.77192870    -14.13457832
  H     14.30839405      4.41850435    -16.67536007
  O     18.69442857      7.11318153    -16.97401353
  H     14.05987911      5.17813646    -13.45323836
  H     20.22902354      5.38859767    -13.98667411
  O     16.94428233      5.61974315    -15.36252487
  H     16.70601522      6.95577161    -14.21806184
  H     19.47296095      6.10977658    -12.83311602
  O     14.11209390      7.72794711    -16.18623180
  H     16.95773213      8.45174243    -13.84010191
  H     16.31217689      3.41758103    -11.15128098
  O     15.44846623      3.47544035     -9.47141935
  H     17.44855366      3.12950563    -13.56306494
  H     15.73961963      3.83255648    -12.52795522
  O     14.84213911      5.11748179    -17.07367701
  H     18.68433578      3.19360146    -14.53712744
  H     16.73805479      6.33889774    -10.26538050
  O     20.13450741      6.23075016    -13.52668894
  H     13.07896215      5.17395464    -10.58725384
  H     15.86746033      5.36153246     -9.46023233
  O     16.56164378      3.61138167    -12.06219641
  H     13.36067092      4.09180279    -11.63757885
  H     13.63171420      7.10432870    -12.46514772
  O     15.96647443      6.29455603     -9.68772353
  H     21.13290153      8.73459609    -15.07927987
  H     14.84833985      7.29606062    -13.39156998
  O     13.92479369      6.99972664    -13.37865066
  H     20.21046763      7.68743537    -14.40699677
  H     18.73338194      9.48233342    -14.69071525
  O     17.86501249      9.89813736    -14.56486986
  H     16.37609301      2.33690534    -17.20311688
  H     18.02349765     10.77292177    -14.21902441
          69
 Energy    -248.81894420071001     
  O      1.47597776     11.91285243      2.11140050
  H      0.87694516     11.91001730      2.86732750
  H     -4.64618727     10.65561518      0.30736375
  O     -1.02731959     15.70046712     -0.69655181
  H      0.90719245     11.92832759      1.32343220
  H      5.22261121     11.11349795      0.83788187
  O     -2.27647402     10.29105835     -2.25793564
  H     -0.65662468     15.48334402     -1.56376207
  H      6.03104843      9.92857043      1.41908770
  O     -2.22061359     10.23297869      2.31009598
  H     -1.61515594     14.96926737     -0.46885641
  H     -0.35586580      8.48423411      0.03796666
  O      2.56632903     13.78446763     -1.93442980
  H     -1.72341662      9.51807782     -2.09926912
  H      0.72375214      8.95615291      1.05674727
  O      5.12162945     12.82311668      0.49172396
  H     -2.77591871     10.45739133     -1.44865357
  H      5.08979099      9.97875459     -1.00137393
  O      5.13535748     12.74567776     -2.37470439
  H     -1.55018130      9.64097688      1.94074875
  H      3.99592047      9.62223083     -2.02125098
  O      2.52470088      9.55443423      1.08738381
  H     -1.75173464     10.82126081      2.91291340
  H      2.28679078      9.25283851     -0.73846569
  O     -0.10740663     11.63314800     -0.07691610
  H      2.55227309     13.92788179     -0.97792118
  H      1.85848811      9.95640127     -2.06103115
  O     -1.13392004     12.22637486     -3.79753270
  H      3.47008028     13.53863127     -2.17037512
  H     -0.47601638      7.22959341     -2.21150596
  O      2.62471703     14.10622851      0.86254473
  H      4.34973811     13.36064426      0.71084516
  H      0.51667379      8.35851790     -1.85272903
  O     -3.73604583     10.89129118      0.14770397
  H      5.24472885     12.91587186     -0.46111528
  H     -2.99110634     12.68928640      0.14928401
  O      5.26418946     10.14135151      0.89422428
  H      5.82291030     12.90566750     -3.01552354
  H     -1.47186170     12.81214333      0.06084037
  O     -0.22668254      8.93185268      0.88360433
  H      5.03135135     11.77987859     -2.30804649
  H      0.07249312     15.98411701      0.58289281
  O      4.84487602     10.07010765     -1.93144737
  H      2.21972312     10.37254692      1.50744150
  H      0.73237631     16.97650683      1.56950256
  O      2.14445073      9.10677607     -1.68453925
  H      3.48831080      9.60900735      1.09264690
  H     -1.71499228     14.00754527      1.84089846
  O     -0.41266692      8.08072099     -1.78486144
  H     -0.29636537     10.72645299      0.19672196
  H     -0.56079643     14.91007720      2.32071642
  O     -2.27820060     13.33388976      0.19580282
  H      0.31635705     11.59079693     -0.94250219
  H      0.46764197     11.71465904     -3.11513074
  O      0.66524723     16.04993140      1.35538184
  H     -1.61820934     11.58234850     -3.25109919
  H      1.72198141     12.29534904     -2.37790665
  O     -1.22043377     14.27753052      2.62702947
  H     -1.53842744     12.20815261     -4.66111086
  H      0.99628197     14.51523502     -2.75593313
  O      1.21307551     11.48885199     -2.54418733
  H      2.03459600     14.84773923      1.04943774
  H     -0.34486529     13.96446075     -3.30116100
  O      0.10971749     14.77332658     -3.04004263
  H      2.29443089     13.36228181      1.38591321
  H     -0.88331305     12.86774598      3.53984622
  O     -0.65075637     12.01218059      3.94723694
  H     -3.24321714     10.65757579      0.95465658
  H     -0.75309026     12.11771222      4.88900701
          69
 Energy    -248.81884016502204     
  O     -8.19870455     -2.73811474      6.69459300
  H     -8.96210086     -2.43092746      6.17497763
  H     -4.68748946      1.70687321      3.17973202
  O     -7.68433651     -2.41888024      2.47321427
  H     -8.54032631     -3.35457217      7.33782060
  H     -6.62537380     -0.11593760      4.34590327
  O     -6.42553494     -3.65662033      4.64022959
  H     -8.62729909     -2.52640860      2.30810268
  H     -7.44944541      0.45696716      3.12066969
  O     -5.02318840      1.13467987      1.53371685
  H     -7.62222969     -1.62961127      3.03377549
  H     -7.31107720     -1.14376156      7.21939703
  O     -7.85146772      2.14718815      7.21063729
  H     -6.91300422     -3.40327389      3.84364889
  H     -6.08707149     -0.34076311      6.74090193
  O     -6.05670292      4.91377468      1.52765869
  H     -6.97476607     -3.38269753      5.38414553
  H     -3.10203216      4.01636844      2.27062060
  O    -10.29909726     -1.77203353      5.25592894
  H     -4.86900512      0.18972414      1.38539324
  H     -3.55241768      4.83609117      3.50009860
  O     -5.02391917     -0.28768341      5.28357580
  H     -4.47081496      1.69413942      0.97883030
  H    -10.44630340      2.02443319      4.18406151
  O     -3.90464685      3.53923426      0.53468637
  H     -7.46341315      1.25843241      7.31900873
  H    -11.65942675      2.90930079      3.80666996
  O    -10.51410283     -2.18253769      2.42394954
  H     -7.97214595      2.49957283      8.08817268
  H     -9.41413720      0.64268689      1.45064072
  O     -5.04741490     -1.59575627      1.57467497
  H     -5.73126180      5.34805862      2.32624342
  H    -10.66495245      1.14622469      2.17800408
  O     -4.45622408      2.06337051      4.05065526
  H     -6.92896199      4.58023976      1.77060890
  H     -3.29720738     -3.19718132      4.23718126
  O     -7.49538655     -0.06985868      3.93055014
  H    -10.23738137     -0.81188364      5.33692270
  H     -4.83858726     -3.05780202      4.30953205
  O     -6.82078830     -0.32759462      7.37300362
  H    -10.40959387     -1.95974929      4.31562799
  H     -8.87498367      0.56388306      4.81053166
  O     -2.91231788      4.17655192      3.20405596
  H     -4.64317720      0.53064057      4.93480999
  H     -9.16141751      1.42242996      6.05802881
  O    -10.81579600      2.59763987      3.48938846
  H     -4.56089851     -1.03542765      4.88663283
  H     -5.28042109      6.50184460      4.66597946
  O    -10.33038223      0.40832536      1.65745650
  H     -3.63084631      3.92714066     -0.29240721
  H     -5.70859614      5.02305414      4.54570127
  O     -4.01561992     -2.59589404      4.06236195
  H     -4.71192618      4.01153517      0.80794226
  H     -7.00852027      3.07663222      5.80031347
  O     -9.59191213      0.98366376      5.31562412
  H    -10.49117415     -1.25825623      2.11643915
  H     -5.88541874      2.93248185      4.72588312
  O     -5.18320760      5.72251105      4.12446092
  H    -11.20918353     -2.61566265      1.93592560
  H     -6.77132948      1.31571647      1.37977022
  O     -6.61218018      3.49836348      5.02930015
  H     -4.57359558     -1.95473091      2.33514186
  H     -7.91064872      2.24434329      1.89525279
  O     -7.72270624      1.36190273      1.54683139
  H     -5.94988132     -1.92788123      1.65985069
  H     -9.22622707      3.50922852      3.01531440
  O     -8.31729140      3.75665172      2.80556609
  H     -3.78663922      2.74244407      3.89625988
  H     -7.80013601      3.67040898      3.61971919
          69
 Energy    -248.81881892017236     
  O     16.47411440     10.53057874    -15.64046298
  H     16.12798790      9.73017002    -16.02645229
  H     17.70684620     12.70494477    -17.49978336
  O     18.47483366     17.66941456    -14.63772973
  H     17.04479587     10.94062585    -16.31448139
  H     14.60551916     12.48717674    -10.95988554
  O     21.17375235     11.71806996    -14.58163133
  H     17.78895250     17.03475420    -14.38601326
  H     15.24143093     12.72151278    -12.34907948
  O     16.70170588     15.34460417    -11.19324824
  H     18.49443565     18.34109290    -13.94492493
  H     20.14005034     16.94234583    -14.48747132
  O     14.83026464     14.71154805    -15.80949343
  H     21.25601281     12.50319149    -14.02232779
  H     21.23308804     16.17355947    -15.26569916
  O     18.00634642     11.78031007    -11.28790065
  H     20.34262666     11.30026378    -14.31329822
  H     18.42025784     14.66968694    -11.00627547
  O     15.06242816     12.45468606    -14.06946399
  H     16.63608828     15.58862457    -12.12850051
  H     19.79941176     14.97414433    -10.38268475
  O     20.90111189     12.52522703    -17.12412970
  H     16.17313914     14.54235885    -11.10242212
  H     19.62970491     16.29694880    -17.26415990
  O     21.26432126     15.30828881    -16.95912095
  H     15.64307697     14.60622063    -16.33510616
  H     18.64422650     17.18759154    -16.47828739
  O     18.00919841     17.63205017    -10.18399679
  H     14.16146190     15.05181418    -16.39738107
  H     21.32652064     17.57374824    -12.81842750
  O     20.86286736     14.10205346    -13.17263246
  H     18.56008180     12.53110114    -11.04014187
  H     21.09490551     17.52699169    -11.28150343
  O     18.08510508     11.81671636    -17.43433936
  H     17.09479488     12.09297599    -11.23481123
  H     19.66893323     18.98686079    -12.24618908
  O     15.36504603     12.86677944    -11.39413888
  H     14.88243877     13.19129612    -14.66549506
  H     18.82355888     20.28256401    -12.30524594
  O     21.02834101     16.56356929    -14.40757110
  H     15.48828887     11.77320510    -14.60339758
  H     20.78455313     16.76722686     -8.82768101
  O     19.30940872     14.30906299    -10.88218043
  H     21.45174162     11.97402105    -17.67516682
  H     19.58817269     17.00135106     -9.78395655
  O     18.75420733     16.70098274    -17.30609019
  H     21.02887067     12.21446646    -16.20848746
  H     18.35731710     11.14641074    -12.90837511
  O     21.17273240     18.12151240    -12.03793165
  H     21.09635212     14.35457930    -17.00809251
  H     17.83070616     10.64188215    -14.30658000
  O     18.76918913     19.33410347    -12.38922102
  H     21.99253179     15.48333119    -17.55213078
  H     18.34611662     12.77734594    -14.33566002
  O     20.46808571     16.58752686     -9.70906734
  H     18.09127326     18.23296378    -10.93424127
  H     19.30537682     13.95386713    -14.15712735
  O     18.59446990     10.99146645    -13.83621889
  H     17.42926308     16.90989630    -10.46147827
  H     17.71425943     15.24508557    -17.22279646
  O     18.44207327     13.72002871    -14.51943571
  H     20.37558208     14.15757656    -12.33871237
  H     17.74292107     14.12631421    -16.15400926
  O     17.28450720     14.41985107    -16.95730599
  H     21.02204526     15.00130293    -13.48770191
  H     17.27070142     14.97172863    -14.03487613
  O     16.65618464     15.71214473    -13.90230878
  H     19.03290882     11.96056224    -17.33637250
  H     15.89779317     15.53543179    -14.46988626
          69
 Energy    -248.81863347797747     
  O     12.55318575     11.63659144    -14.30063934
  H     12.79250777     11.07039001    -15.04836107
  H     18.29056571      8.11854299    -12.49519374
  O     15.20645666      6.51175824    -13.41240373
  H     13.32790533     12.17658121    -14.11073838
  H     16.32204135     11.17862691    -16.31246081
  O     17.89771493      9.80850814    -11.70441302
  H     15.87566091      6.31744518    -12.74709020
  H     16.22141772     10.50302144    -14.93552739
  O     12.24222033      7.31087255    -16.38175889
  H     14.36599901      6.53600225    -12.93472771
  H     15.31175567      8.23831720    -13.98415576
  O     14.67233093      7.87669652     -8.82067368
  H     17.00981082     10.19043154    -11.73767095
  H     14.53763459      9.29283334    -14.84005966
  O     12.98397635      6.67606648    -11.75203903
  H     18.37174181     10.14803103    -12.47793916
  H     11.64929341     10.74222931    -13.13373684
  O     15.28574885     10.74585827    -11.97694743
  H     11.55609687      6.89027440    -16.89278128
  H     10.33307346     10.61102181    -12.33140525
  O     16.84772542      8.07796227    -17.19117684
  H     11.90356528      7.39301180    -15.47150816
  H     17.02700729      6.69738289    -10.52305857
  O     14.36895958      5.32623944     -9.69093405
  H     15.58898182      8.13057708     -8.98529078
  H     16.02028935      5.54650947    -10.66286854
  O     19.10068041      7.96130354    -15.43957164
  H     14.12325447      8.45709551     -9.36451287
  H     11.22656786      8.51351405    -13.45592419
  O     14.94852411      6.32034440    -16.20600383
  H     13.31751209      6.07966225    -11.07148184
  H     11.84748949      7.14648887    -13.13893041
  O     18.51289585      7.26498449    -12.89009915
  H     13.09208866      7.57544627    -11.40823245
  H     19.11831510      9.72057620    -14.64357507
  O     16.52105340     11.31339138    -15.37833469
  H     15.18594422     11.62783686    -12.35212217
  H     18.22575280     10.96578832    -14.62668614
  O     15.22782142      9.18036318    -14.17377980
  H     15.20505821     10.13285840    -12.72874437
  H     17.66081607      8.85793556    -10.23479104
  O     11.16527600     10.17843146    -12.50342654
  H     16.21582381      7.40870648    -16.88875443
  H     18.14808512      8.28335832     -8.88826067
  O     16.78486157      5.95183340    -11.08940316
  H     17.61518021      8.02458176    -16.61072527
  H     16.11772102      9.51398706    -17.68339212
  O     11.40005702      7.64438371    -13.83590369
  H     14.12295101      4.71703978     -9.00040145
  H     15.78917996     10.52995268    -18.80775594
  O     18.94232113     10.53025740    -14.14794227
  H     14.45085843      6.20610267     -9.27817037
  H     13.96753915      9.85204299    -11.11358996
  O     17.42989285      8.24636697     -9.51575089
  H     19.90156348      7.52091840    -15.71372021
  H     12.44824023      9.63000776    -11.25809511
  O     15.65759071     10.35347860    -17.88122291
  H     18.87885856      7.60688497    -14.56024263
  H     15.60873599     12.48031502    -14.36265497
  O     13.23277057      9.30812009    -10.79574880
  H     14.02302175      6.56520845    -16.31878247
  H     15.32553174     13.87471338    -13.75838556
  O     15.04851753     12.96260419    -13.73091855
  H     15.07752417      6.21612855    -15.25383203
  H     14.09878107      9.99979357    -16.90629501
  O     13.42659791      9.82789157    -16.23452933
  H     18.08865981      6.60371413    -12.33317440
  H     12.99644478      8.98669761    -16.43648916
          69
 Energy    -248.81831542550267     
  O     14.14926489      5.05064029    -16.13029485
  H     14.09405234      5.93546883    -16.51871445
  H     18.57912267      7.26009986    -17.94708726
  O     17.92886205      7.88856971    -11.99833507
  H     14.09631061      5.19066793    -15.17647168
  H     15.92788308      7.53085445    -16.04031926
  O     17.46853753      6.21767224    -18.92452254
  H     18.83040089      7.95206224    -12.33552944
  H     16.66196476      8.15640287    -14.81907584
  O     13.61457279      8.48258502    -10.43584395
  H     17.39880407      8.52547035    -12.50140403
  H     13.06976617      9.22714134    -14.75673360
  O     14.22431490      5.82179134    -13.40629578
  H     17.06696216      5.47513931    -18.45636612
  H     11.91050270      9.73463198    -15.62938147
  O     16.36354641      9.47508952    -13.58565101
  H     16.74668817      6.79470201    -19.20040418
  H     16.21943058      4.89344105    -10.91717493
  O     17.68323681      4.94241493    -15.09524825
  H     14.53106423      8.26000482    -10.19158207
  H     16.17479003      4.05263818     -9.62062292
  O     13.17775705      5.63638561    -10.85778990
  H     13.26547608      9.01925985     -9.72945489
  H     14.64756905      7.91401707    -17.90006913
  O     19.59477084      9.86822714    -15.35913390
  H     15.14851204      5.67499702    -13.16829288
  H     13.81731462      8.35158726    -16.63996235
  O     16.31933114      4.04321959    -17.38636226
  H     13.71191112      5.64886161    -12.60288786
  H     21.30743283      8.04474379    -12.93527794
  O     20.16502864      6.22216255    -15.27332609
  H     15.41558165      9.31300752    -13.48598246
  H     20.38192146      7.34441848    -13.95825062
  O     18.86243758      7.85966097    -17.24054704
  H     16.50653767     10.19856091    -14.20834269
  H     17.27572838      6.22166839    -12.34242508
  O     16.74048085      7.49605335    -15.51666239
  H     17.33166587      4.44597781    -15.84279721
  H     17.22266629      5.03075222    -13.34732107
  O     12.83438191      9.49774360    -15.65882112
  H     17.33214722      5.84247202    -15.20120492
  H     16.84162019      7.82185051    -10.46063099
  O     15.81331628      4.83158431    -10.03520589
  H     13.17508322      6.57466937    -10.63274069
  H     16.07017666      6.70609183     -9.72750944
  O     14.39402823      7.66523744    -17.00307016
  H     13.98080228      5.27567067    -10.45968258
  H     17.87961335      9.36770836    -17.94537658
  O     20.42185781      8.05175664    -13.28952829
  H     19.56034435      9.23734522    -16.08936730
  H     17.05400157     10.49640151    -17.31008680
  O     16.87703123      5.35434457    -12.50482194
  H     19.89882766      9.36762481    -14.59290193
  H     13.91336058      7.62048324    -13.39824484
  O     16.13049659      7.66472567     -9.82589320
  H     16.12364274      3.19081309    -17.76604912
  H     13.62334406      8.64611430    -12.27546074
  O     17.17783480     10.00497590    -18.12969872
  H     15.50313512      4.34871439    -16.94921856
  H     18.15240605     10.85502885    -15.43102529
  O     13.76757187      8.56296653    -13.22671494
  H     19.42716024      5.60805478    -15.15759993
  H     17.42892107     12.22257707    -15.48812240
  O     17.27997853     11.28093873    -15.52358413
  H     19.95203634      6.71190617    -16.07652134
  H     16.07487759      9.00704364    -19.04659118
  O     15.51844817      8.32415308    -19.46322708
  H     18.15766121      7.79564451    -16.57392280
  H     15.26784053      8.65770019    -20.32031608
          69
 Energy    -248.81767938502492     
  O      2.04740112     -8.35639170     -4.59383201
  H      1.86335850     -8.50900168     -3.65556874
  H      1.26792092     -8.80346932     -1.10867871
  O      1.01301022     -5.80339044     -4.62783890
  H      3.00215972     -8.24249528     -4.65097293
  H      4.72651387     -7.04303010      2.87839102
  O      2.20648483     -7.68243527      4.59303937
  H      0.89475380     -5.70064487     -3.67273962
  H      4.81185303     -6.10127098      4.10150947
  O      1.11581180     -5.57401039     -1.83998133
  H      1.23381978     -6.73519805     -4.77165102
  H      0.52030455     -4.04456889     -5.00543775
  O      1.13818607     -4.54440805      1.94440451
  H      2.16374597     -8.40349079      5.21479104
  H      1.35979158     -2.77380045     -5.23649068
  O      3.82177913     -4.92070096     -2.12387362
  H      3.14900216     -7.53321802      4.39498816
  H     -0.38507741     -9.61995124      0.69418232
  O      3.66724215     -4.98983500     -4.90124499
  H      2.05419288     -5.34882592     -1.91912651
  H      0.79128831     -8.66593800      0.97106103
  O      4.37985990     -7.61065878     -1.64771162
  H      0.72251549     -4.85221925     -1.33686407
  H      1.65875618     -7.51069926      2.84042375
  O     -0.23083765     -1.75489764     -2.73636990
  H      0.71581130     -4.06896110      1.21908628
  H      1.23696307     -6.37411930      1.86485730
  O      4.84639974     -7.47870358     -4.47343135
  H      2.08550925     -4.35246350      1.87554120
  H      0.12270059     -2.69791411     -1.15957431
  O      3.24699541     -2.24979579     -5.22890045
  H      3.85453236     -4.86567563     -3.08771781
  H      1.47010084     -2.98216951     -0.46080456
  O      1.70853900     -8.29534378     -1.80252621
  H      4.12634368     -5.80353769     -1.87702185
  H      4.38320302     -7.17973193      0.19505704
  O      4.73179721     -7.02871531      3.84482018
  H      2.74229417     -5.28027677     -4.88990118
  H      3.24187683     -7.08526256      1.24822480
  O      0.47471378     -3.07900072     -5.00532948
  H      3.65572235     -4.04700755     -5.11042853
  H      3.55641839     -3.45285308     -1.16634151
  O      0.49058599     -9.38801306      0.39528944
  H      3.47218048     -7.95451021     -1.66177255
  H      3.60216291     -3.00216076      0.29939476
  O      1.49346023     -7.30563248      1.91035164
  H      4.70861248     -7.69368906     -2.55086664
  H      1.63852886     -1.23639511     -2.74089161
  O      0.52891265     -3.21472167     -0.45272740
  H     -0.06106284     -2.25811959     -3.55258479
  H      2.94431695     -1.57091417     -1.99423644
  O      4.15772080     -6.83118482      1.06524926
  H     -0.95411706     -1.16309621     -2.92642583
  H      1.36798300     -4.66257234      3.84892379
  O      3.29851664     -2.72797127     -0.57515017
  H      4.53476823     -6.59099006     -4.71403887
  H      1.78721337     -5.81179017      4.78946237
  O      2.59967827     -1.19510286     -2.81512295
  H      5.54212285     -7.69808529     -5.08886590
  H      4.20465629     -4.05547455      2.64927797
  O      1.78331842     -4.85016849      4.70098032
  H      3.59076060     -1.56318037     -5.79422484
  H      4.10455358     -5.02577967      1.43574893
  O      3.91065000     -4.12481620      1.73294766
  H      3.09154916     -1.84256248     -4.35760804
  H      3.48318381     -4.39028392      4.65364727
  O      4.43198740     -4.24779208      4.48394016
  H      1.36871420     -7.39068441     -1.74935650
  H      4.75240933     -3.66424610      5.16595746
          69
 Energy    -248.81697439714716     
  O     14.66794064      9.95950352    -10.51442073
  H     14.55218310     10.44515833    -11.34410853
  H     12.36410646      7.86906127    -10.29346314
  O     13.11318986     10.20237588    -16.33612444
  H     15.48394631     10.24504323    -10.08838448
  H     18.88921002      7.04684026    -13.78742090
  O     17.01954530     10.71199502    -13.87831776
  H     13.12987541     11.08464420    -15.94512854
  H     18.41557323      7.32838215    -15.22057423
  O     16.85305585      7.72312209     -8.55228412
  H     12.89771802      9.59694019    -15.61545204
  H     14.56076886     12.68879155    -15.42999030
  O     16.15619896     12.31208361    -16.04308198
  H     17.59579427     10.72002911    -13.10638362
  H     13.34496575     13.60745457    -15.14919584
  O     15.75042369      7.73311408    -11.89109199
  H     16.10669030     10.69810382    -13.55768293
  H     13.71181049      8.03359604    -14.33157008
  O     14.32315227     10.82698963    -13.08246039
  H     16.00067366      7.32249388     -8.35218047
  H     12.56172103      8.04809172    -13.30974513
  O     18.52771711      7.78478808    -12.09947214
  H     17.36543874      7.04756056     -9.02149311
  H     15.34856942      9.92430554    -18.59828421
  O     18.64756689     10.58489155    -11.54611152
  H     16.03828066     11.63041082    -16.71709932
  H     14.62252080     10.03189883    -17.23724716
  O     16.83180003      4.88005608    -14.03153341
  H     16.62134387     11.87903563    -15.31435446
  H     11.46720972      6.16380739    -12.02237082
  O     16.59872833      3.92009016    -11.53738486
  H     15.38360068      6.93878009    -11.48219862
  H     12.95152463      6.26674910    -11.61841239
  O     12.71521156      8.27940966     -9.49461951
  H     15.37951505      8.48379783    -11.41322375
  H     13.92022705      6.17334424     -7.40691326
  O     18.85670788      6.66504047    -14.67553773
  H     13.83885399     10.04371779    -13.38271989
  H     13.67684080      7.14948684     -8.58606316
  O     13.66734675     12.71729499    -15.04157634
  H     14.03481127     11.56387850    -13.63475756
  H     15.11340490      4.84600928    -11.04642940
  O     12.96396595      8.56644231    -14.01477468
  H     17.56013668      7.73822851    -12.05035438
  H     14.43305811      5.68253140     -9.90828665
  O     15.49723294     10.04630309    -17.66436294
  H     18.75256248      8.70565692    -11.93356502
  H     17.72469442      5.14290186    -10.53255814
  O     12.18054941      6.78671494    -11.89973237
  H     19.43627285     11.09088598    -11.36396198
  H     18.50620272      6.44626255    -10.78193476
  O     14.28942401      6.47991171     -8.23060257
  H     18.15954625     10.51266484    -10.71031676
  H     15.89176184      7.63160403    -15.08073516
  O     14.42140210      5.49414643    -10.85657941
  H     16.12113183      5.46957257    -14.30837759
  H     15.44218298      7.37546024    -13.62152384
  O     18.19287948      5.85530919    -10.08338437
  H     17.64197382      5.34409655    -14.28883109
  H     17.08858549      9.35021038     -8.97175824
  O     15.22969242      7.17239492    -14.54623950
  H     16.71196078      4.22608158    -12.45677818
  H     17.24399837     10.78233280     -8.40534074
  O     17.16656397     10.29179873     -9.21936971
  H     16.82230302      2.99358314    -11.52809215
  H     16.68827288      9.09737345    -16.56165487
  O     17.17127929      8.70144297    -15.82583952
  H     13.33261346      8.96208837     -9.79654490
  H     17.21360082      9.37755846    -15.13402451
          69
 Energy    -248.81697275612453     
  O     -1.12469509     -1.09197556      2.82458167
  H     -1.13012673     -0.70657336      1.93921707
  H      2.20672612      1.48109582      1.35603931
  O      0.49359334     -0.54952983      6.60225932
  H     -1.93077425     -0.77834073      3.26774453
  H      0.03892647      6.06709882      3.54802004
  O     -6.40493138      0.89452921      2.69752902
  H     -0.13117729     -1.27599577      6.42607815
  H     -0.15060903      4.77942247      2.72550396
  O     -5.46367363     -1.69067985      3.11199920
  H      1.14008450     -0.88841358      7.21585045
  H     -0.59551565      3.72535277      4.56990009
  O     -4.03782083     -3.36932421      1.32360828
  H     -6.22449972      1.32330144      3.54045602
  H     -0.40593358      2.17570134      4.57529723
  O     -1.10328260      0.37214032      0.45622002
  H     -6.27189473     -0.05322215      2.84594332
  H      0.25093026      3.14750255      1.23851545
  O     -3.48237786     -1.09068810     -0.02539774
  H     -4.70664171     -1.14766558      3.38585349
  H     -1.21825524      3.54371436      0.98116863
  O     -1.34360944     -2.49899165      6.15924464
  H     -5.12354068     -2.29933284      2.44452861
  H     -0.85157184      0.73558572      7.11145117
  O     -3.88919060     -2.34979600      7.49326371
  H     -3.79647596     -2.58419914      0.79912312
  H     -1.37606276      2.04341240      6.49921483
  O     -4.61446300     -3.43089371      5.14988159
  H     -4.33210160     -4.03189314      0.70422227
  H     -3.48792127     -0.08774471      4.94512779
  O     -2.82305745      2.50211572      0.94278654
  H     -0.21163187      0.69828927      0.62376164
  H     -3.38034744      0.82462897      3.70415077
  O      1.26964277      1.54120804      1.52593384
  H     -1.69437000      1.12473597      0.61414238
  H     -5.65584501      1.12853254      1.12624581
  O     -0.04366558      5.12130772      3.62966875
  H     -4.11619661     -0.36570273      0.03931351
  H     -5.89520678      1.40721258     -0.37389783
  O     -0.95614956      2.89448555      4.91307262
  H     -2.60789063     -0.68262417     -0.02464013
  H     -3.17536108      0.72409629      6.93202381
  O     -0.34808295      3.90289299      1.19504712
  H     -1.57440345     -2.95170270      5.34081265
  H     -4.05858032     -0.55916488      7.05428619
  O     -1.56948142      1.37647030      7.17279634
  H     -2.15036877     -2.46378184      6.68736553
  H     -6.16289133      2.60625641      5.84189581
  O     -3.35650362     -0.09827522      3.98831871
  H     -4.16797820     -2.86871274      8.24253461
  H     -5.12124121      1.46695856      5.81430557
  O     -5.21752682      1.18356622      0.25907759
  H     -4.24135587     -2.78870929      6.69665132
  H     -1.70265713     -2.74963175      3.28852216
  O     -4.01802682      0.32189591      6.66409558
  H     -5.14208439     -2.87975791      4.55828762
  H     -2.83462382     -3.64114713      2.80059000
  O     -5.59760207      2.10642132      5.25815266
  H     -3.78635840     -3.57635294      4.67326310
  H      0.00824208      0.00710438      3.63852405
  O     -2.25015955     -3.50252773      3.55741112
  H     -3.00879236      2.64935088      1.88308182
  H      0.73345532      0.31801271      4.95697875
  O      0.58038063      0.66204495      4.06839995
  H     -3.64578605      2.16488453      0.56862444
  H     -4.13221923      2.69349647      4.20360738
  O     -3.36945205      2.66918762      3.61430259
  H      1.13917942      1.28415783      2.45318885
  H     -2.56633009      2.81902616      4.13552270
          69
 Energy    -248.81694661786105     
  O     13.63129860      7.64688001    -10.68828235
  H     13.03162378      8.36958587    -10.90975903
  H     15.60579762      7.92223224    -17.29979431
  O     17.01410949      5.36455297    -13.03892101
  H     14.12981154      7.91466377     -9.90396696
  H     20.25000096      9.07214979    -14.40183057
  O     12.16449942      9.81063158    -11.60830701
  H     16.19687521      4.89927477    -13.25153305
  H     19.34661264      8.58099934    -13.24643286
  O     14.61657677     11.38634936    -11.82896718
  H     17.46250724      5.59106049    -13.86899447
  H     14.62334202     11.36469424    -13.64397903
  O     12.35542575      7.34855083    -17.52435917
  H     12.25784255      9.54867732    -12.54054640
  H     15.45566919     10.57697837    -14.67787510
  O     16.32117538      5.82068111     -9.16440515
  H     11.29976119     10.20152744    -11.51444031
  H     16.15561829      6.96730467    -12.65341155
  O     13.73660019      6.62750186    -15.11826262
  H     13.81103903     10.92174982    -11.57590922
  H     14.93890733      7.68992096    -11.99489272
  O     12.67443974      9.12554072    -14.21198418
  H     15.34365925     10.93336615    -11.38384183
  H     13.84150501      5.79460365    -10.74686056
  O     13.54501606     10.87710335    -17.15041268
  H     13.09564459      7.73265541    -18.01187867
  H     14.23569612      4.66236550    -11.71042966
  O     18.22041006      6.25826873    -15.30559484
  H     12.74366374      6.91891326    -16.75132706
  H     19.27688380      5.03740069    -10.81192510
  O     16.73844097      9.33579892    -14.60354988
  H     15.64483081      5.36945659     -9.69140210
  H     18.05825275      5.50521980    -11.64194993
  O     15.97915894      7.50961821    -16.51154301
  H     17.14693640      5.75416847     -9.65671603
  H     14.09903414      3.64130732    -14.06323535
  O     19.41599954      8.64957598    -14.21595221
  H     13.40550730      7.42526361    -14.68587678
  H     14.12315422      5.18322278    -14.14598386
  O     14.63262069     11.07520868    -14.56799466
  H     14.55191307      6.87361139    -15.58106496
  H     16.29587847      9.30496780     -9.85373124
  O     15.71318909      7.82006931    -12.55743253
  H     12.03292837      9.26197513    -14.92138318
  H     16.37460300      9.02501904    -11.36617402
  O     14.23628292      4.91177035    -10.78032605
  H     13.38393715      9.77175251    -14.34756390
  H     18.37219926      8.97451690    -11.13898060
  O     18.60248989      5.71054858    -10.86145009
  H     12.64201140     10.59687885    -16.95964012
  H     18.95833185      7.54347126    -11.21486904
  O     14.43170170      4.42185511    -13.62693923
  H     13.93964196     11.11254321    -16.29941110
  H     15.76931494      7.37303749     -8.70530811
  O     16.64002521      9.66023821    -10.68336932
  H     18.72140625      7.03208427    -15.01786207
  H     15.27900319      8.37292137     -7.62782618
  O     19.07109402      8.44465690    -11.54195097
  H     17.51230635      6.58733816    -15.87519942
  H     14.81374595      9.08687844    -19.45427724
  O     15.38583586      8.26014719     -8.56782661
  H     16.34112488      8.82937049    -13.87675524
  H     14.27034211      9.60339152    -18.09983485
  O     14.58936146      8.81165008    -18.56961559
  H     17.69499812      9.24962635    -14.51344064
  H     11.43803955      8.71048066    -16.91709013
  O     11.08762249      9.51072141    -16.48534655
  H     16.25118480      8.22602481    -15.91727650
  H     10.18387108      9.60700920    -16.77169676
          69
 Energy    -248.81681953089677     
  O     -2.87213912      0.73387158     -0.02949763
  H     -2.96333094      1.10247065      0.85312128
  H     -2.45607339     -5.49995423      1.33008244
  O     -2.43413687     -1.12914575      6.97025462
  H     -3.44735204     -0.04293005     -0.00928957
  H      2.43781204     -2.08374900      2.94476843
  O      1.36233334      0.65674504      1.47879935
  H     -2.85553995     -1.97564659      7.16263041
  H      2.22045313     -2.38392582      1.44308158
  O     -3.48272645      0.19359389      2.84595215
  H     -3.09069981     -0.61604329      6.48199541
  H     -0.20807909     -2.98377965      1.41265035
  O      2.06143302     -2.85011521      4.63775829
  H      1.99859427      1.36611846      1.49126926
  H     -1.62208652     -2.70266301      0.87468532
  O     -3.56785269     -3.77355816      7.03734776
  H      1.84894594     -0.16455630      1.67745194
  H     -2.25101180     -3.78107948      2.49456844
  O     -0.36575584     -1.77004965      5.29676668
  H     -3.76065652     -0.43046264      2.16355473
  H     -3.76135193     -4.09150634      2.75379108
  O      0.73582595     -5.23424554      3.77868128
  H     -2.52300933      0.09451008      2.93595915
  H      0.88798859     -3.30955326     -0.43228521
  O     -5.34924327     -2.55060422      5.16713023
  H      1.23831744     -2.43404008      4.94627414
  H      1.12820192     -4.50566369      0.55437228
  O     -0.29542862     -0.09465293     -0.73905029
  H      2.67440572     -2.81631577      5.36839742
  H     -5.47584080     -3.05733485      3.52867054
  O      0.64697246     -6.16141268      1.22889972
  H     -2.84679602     -4.07725913      6.46041218
  H     -6.25685874     -3.87804146      2.47384914
  O     -2.09446390     -5.74331173      0.46719077
  H     -3.65700029     -4.42225325      7.73063806
  H     -0.11772085     -1.61202331     -1.48693749
  O      2.52378600     -1.70493683      2.06215214
  H     -0.50049492     -1.20126814      4.52577434
  H      0.19785087     -2.43360665     -2.76249470
  O     -1.08038935     -2.66453741      1.67443700
  H     -0.99596141     -1.48061489      5.97243810
  H     -0.06911250      0.17209420      2.55323324
  O     -2.86653267     -4.43797607      2.85565171
  H      1.31069222     -4.49606860      4.01406953
  H     -0.90611214     -1.13056025      2.48788438
  O      1.27413690     -3.56076679      0.41716384
  H     -0.04626475     -5.13149029      4.33346800
  H     -2.41568726     -4.18612046     -0.39140743
  O     -5.46328509     -3.36543020      2.60441736
  H     -5.12894991     -1.61639100      5.27443706
  H     -1.75879289     -3.04397007     -1.22461742
  O     -0.05627116     -2.51749990     -1.84780677
  H     -4.82793862     -3.02544248      5.82528277
  H     -4.93961850      0.92502763      5.55892224
  O     -0.78192086     -0.30794887      2.99013207
  H      0.28634000      0.21435090     -0.03598734
  H     -4.13147262      0.19574432      4.46080889
  O     -2.51178110     -3.25887102     -0.66075572
  H     -1.17837171      0.24914296     -0.54325519
  H     -2.08437760     -4.43690150      4.43676723
  O     -4.45480482      0.12447680      5.37614159
  H      0.67149135     -5.87843167      2.16118866
  H     -1.15282276     -3.45860036      5.22015414
  O     -1.55997403     -4.33660017      5.24720197
  H      1.10772090     -6.99507775      1.18392495
  H     -3.76201027     -2.21483745      0.15865602
  O     -4.26222709     -1.62230196      0.73867251
  H     -1.17310525     -5.97244631      0.63826334
  H     -4.78403906     -2.19062703      1.31862528
          69
 Energy    -248.81649693329240     
  O     14.21225467     11.60663460    -16.32651883
  H     13.85357079     11.18778292    -15.52426295
  H     17.81788540      8.67168594    -17.67276048
  O     16.12601867      5.81948438    -13.23702423
  H     13.67428866     12.37598937    -16.49448820
  H     15.26770563      7.88379120    -15.43509355
  O     19.16773729      8.76358532    -12.59429430
  H     15.40832966      6.23157231    -12.73741282
  H     16.09620209      7.27656825    -14.27368632
  O     15.25404322      4.97925448    -17.18438679
  H     16.92740384      5.88083663    -12.69617339
  H     13.79481968     10.39584723    -13.32628046
  O     16.06299980     10.14827836     -9.39878922
  H     19.75792511      8.51266522    -13.31487504
  H     12.83209369      9.51277292    -14.14283008
  O     14.18940488      7.41718656    -12.03880057
  H     18.50198716      9.35174170    -12.98072990
  H     17.95865019      5.93090908     -8.36752164
  O     17.17067634     10.23697766    -13.80205134
  H     16.05461556      4.82098370    -16.66117804
  H     16.92979464      6.69878456     -9.23344909
  O     15.33232836      7.37182129     -9.44006546
  H     15.11493079      4.18501385    -17.69476695
  H     11.45381099      7.34282086    -14.31210361
  O     18.19456247      7.39432038    -16.42623800
  H     16.98578786      9.87522541     -9.55133905
  H     12.82815789      7.44474826    -15.01269859
  O     17.46276769      4.80948747    -15.49930300
  H     16.07876031     10.80132952     -8.70466646
  H     19.72491818      7.73150275    -15.50023909
  O     19.84079177      5.08207081    -14.11202791
  H     13.47437466      7.39698427    -12.68638372
  H     21.20775992      8.16327334    -15.44260862
  O     17.50370107      9.43863780    -18.17649990
  H     14.53159349      8.32368910    -12.05092179
  H     18.70674748      7.06665590    -12.09459978
  O     16.04518883      8.02646488    -14.88279522
  H     17.25408190     10.84821434    -14.54598366
  H     18.34571636      6.12778587    -10.91056221
  O     13.23066050     10.38952884    -14.11101516
  H     16.71545627      9.45911269    -14.16439196
  H     18.88622899      9.11049785    -10.75295473
  O     17.86842345      6.44681863     -9.16376530
  H     15.44623746      8.32411813     -9.32656460
  H     18.47448159      8.24479278     -9.54132401
  O     12.35058934      7.64317769    -14.18832583
  H     14.82612152      7.25962790    -10.25444928
  H     14.42865196     10.14767945    -17.48115538
  O     20.49587336      7.80918283    -14.91500610
  H     17.47159425      7.76001660    -15.89187280
  H     15.57665338      9.35576455    -18.13592969
  O     18.49143480      6.15108180    -11.86420272
  H     18.07612020      6.44077701    -16.34082446
  H     15.84922031     10.25317667    -12.57463156
  O     18.54777393      9.15672769     -9.84955067
  H     18.34634727      4.71839240    -15.11431284
  H     15.35388962     10.22345436    -11.10142174
  O     14.62661828      9.33928334    -17.97240272
  H     16.88983181      5.04360896    -14.75413525
  H     17.28735992     10.92549743    -16.90754581
  O     15.07735953     10.08397891    -12.01497124
  H     19.45436941      5.28281476    -13.24802383
  H     16.10402474     11.66229859    -16.25710977
  O     17.06343532     11.55179668    -16.20979061
  H     20.26556446      5.90238267    -14.38615858
  H     14.27607596      6.43220884    -16.73031761
  O     13.85034031      7.24607957    -16.42623036
  H     17.98186324      9.43718831    -19.00265583
  H     14.02412159      7.94379381    -17.07716324
          69
 Energy    -248.81626813110955     
  O     -7.47583341     -2.75317014      6.29322976
  H     -8.17636345     -2.14133498      6.54750082
  H     -8.25485013     -0.65949585      3.98064003
  O     -9.30948690     -3.02971946      2.23964566
  H     -6.63628749     -2.32271606      6.49554211
  H     -4.50749832     -1.47484294      5.83536211
  O     -7.53786512     -4.33846440      4.09135609
  H     -9.72057711     -2.39021568      2.83857263
  H     -4.26302545     -1.77670375      7.33355081
  O     -5.52798562      0.54252075      0.39224199
  H     -8.80896240     -3.61994543      2.81510195
  H     -2.49833609      3.60972282      2.05369750
  O     -6.21435173      0.89729895      6.02321180
  H     -7.55626530     -3.80650608      4.90716374
  H     -1.16420022      3.13981202      1.42119709
  O     -5.65178762      5.15025611      1.07424389
  H     -7.46519615     -5.25035947      4.35925285
  H     -9.73936361      4.40502422      4.81447519
  O     -9.65256917     -0.94317868      6.87148881
  H     -5.81867397     -0.33006593      0.11802805
  H     -8.58695299      3.70399024      4.06443293
  O     -3.91358014     -1.40764362      4.21217831
  H     -6.30446376      0.93431862      0.82217698
  H    -10.20051980      2.16946492      3.61296402
  O     -4.40318736      3.09264820     -0.19023682
  H     -5.71569579      0.18835382      6.44573076
  H     -9.70524902      1.42084090      2.37284299
  O    -10.04124715     -1.07139968      4.09160829
  H     -6.63201217      0.49076203      5.24554706
  H     -6.43622174     -2.26454358      1.89791220
  O     -3.70071693      0.86131864      2.53076849
  H     -5.77341627      5.88184083      0.47510795
  H     -6.42590461     -3.23848347      3.11323947
  O     -7.35223668     -0.33933012      3.84569425
  H     -5.24866732      4.42904182      0.55801912
  H     -8.27497281     -2.14019792      1.07380923
  O     -4.92676614     -1.48272218      6.71585115
  H    -10.23543747     -1.05414439      7.61799961
  H     -7.94490536     -0.67763173      0.74971882
  O     -2.09074755      2.92752328      1.49024016
  H     -9.38856275     -0.00587349      6.85896360
  H     -7.84958364      1.47516316      6.60434783
  O     -9.35567188      3.54911802      4.63701659
  H     -3.69369410     -0.61526227      3.70771882
  H     -9.03648613      2.29485700      6.05858120
  O    -10.41647204      1.43628318      3.02339932
  H     -4.51231761     -1.91124101      3.64222627
  H     -3.99180525      4.08121584      3.61068454
  O     -5.94673855     -2.51019732      2.69459966
  H     -3.53614362      3.02173785      0.22904284
  H     -4.22052750      5.01613433      2.40912126
  O     -7.61397540     -1.57253370      0.64151463
  H     -4.77524051      2.20230600     -0.17833057
  H     -4.57100126      1.98771239      3.67522126
  O     -8.80089724      1.62277216      6.70738226
  H    -10.08046189     -1.06807760      5.05543519
  H     -5.35000815      2.12671816      5.00730212
  O     -3.53611432      4.67424783      2.99691414
  H    -10.33013837     -0.20329734      3.77163732
  H     -7.63732788      2.23940425      2.04539735
  O     -5.00831689      2.62742457      4.25512885
  H     -3.02141252      1.45484907      2.18617631
  H     -7.63122966      0.75906029      2.49877893
  O     -7.80472755      1.33826084      1.73773788
  H     -4.29108555      0.65804200      1.79308817
  H     -6.42554332      3.36705427      3.46374652
  O     -7.15927998      3.75702143      2.96324823
  H     -6.82381878     -1.08281658      3.53056862
  H     -6.76266685      4.33903042      2.30307619
          69
 Energy    -248.81569847533854     
  O      0.76746900     -0.14308281      2.54372352
  H     -0.16608801     -0.19994533      2.28690639
  H     -3.36732418      0.47334313      4.70177863
  O     -3.75661261     -0.33593836     -2.93527436
  H      0.87704639      0.75515781      2.87972685
  H     -2.60555696      3.15368436      0.51094519
  O     -0.29187875     -1.68384269      4.69691260
  H     -2.90643361      0.07166210     -2.72275983
  H     -2.83885161      4.66859012      0.29113276
  O     -5.06318949     -0.17035071     -0.50529692
  H     -3.57710082     -1.28415955     -2.94080722
  H     -0.44364271      3.64721021      0.63227704
  O     -2.93472538     -3.06215718     -2.43616454
  H     -1.04358843     -1.10324208      4.87921045
  H      0.61466921      3.04267474      1.57190014
  O     -0.73264108     -2.23839285     -0.97277540
  H      0.24471095     -1.22448178      4.03881927
  H     -3.75736803      1.00338305     -0.04611656
  O     -2.05577925      3.13572979      3.43683185
  H     -4.77987734     -0.10860020     -1.42985235
  H     -2.30336255      1.18702183     -0.54440017
  O     -4.00015996     -2.68012011      4.51472194
  H     -4.85817038     -1.07848432     -0.24610650
  H     -2.32608560      0.43432564      1.50537896
  O      0.59915744      2.53837594      3.40297762
  H     -2.09482799     -2.81588931     -2.01266870
  H     -2.27751090     -0.16811200      2.96043143
  O     -1.26667270      0.42687011     -1.77897511
  H     -2.73107759     -3.75810817     -3.05626368
  H     -4.07829919     -3.05539743     -0.87390010
  O     -4.52084824      1.81507865      4.04918283
  H     -1.12038761     -2.55606546     -0.14514402
  H     -3.55654560     -2.93638857      0.56751816
  O     -2.74439728     -0.26105434      4.72673784
  H      0.14022095     -1.88701782     -0.73823843
  H      1.37670849     -0.70820805      0.85110784
  O     -2.30486765      4.04258955      0.77242418
  H     -2.89223692      2.71580163      3.66678281
  H      1.53627139     -0.05751553     -0.53327891
  O      0.44391126      3.26975872      0.64976601
  H     -2.19906613      3.56831101      2.58505658
  H      0.97999106      2.24930234     -0.64190257
  O     -2.94298469      1.49701823      0.11449631
  H     -4.62827558     -2.78052508      3.78980944
  H      1.86000242      2.10934921     -1.90658691
  O     -1.95039571     -0.26152727      2.05533757
  H     -3.25367941     -3.26117539      4.32298567
  H     -1.00238317     -3.20509368      4.23503021
  O     -4.36355295     -2.88188524      0.03017168
  H     -0.35549127      2.70491891      3.50077553
  H     -1.09208426     -4.74852638      4.29948698
  O      1.48660742     -0.91157837     -0.08769928
  H      1.02989933      2.99524285      4.12069795
  H     -1.79515893     -3.38768220      2.19279029
  O      1.21961934      1.64939914     -1.37087409
  H     -0.41513048      0.88150645     -1.76500626
  H     -2.00617572     -1.94699742      1.64502366
  O     -1.50067961     -3.97902252      3.91347380
  H     -1.10111626     -0.48054556     -1.48790661
  H     -5.42008216     -2.86142983      1.48979186
  O     -2.01188006     -2.88662064      1.39870441
  H     -5.21728418      2.23382669      4.54881451
  H     -6.68625681     -3.19523786      2.30689751
  O     -5.86421524     -2.71107074      2.33977307
  H     -4.95715878      1.25999178      3.37917595
  H     -5.82241087     -0.76750845      2.42037969
  O     -5.71393698      0.17145718      2.22978256
  H     -3.26448816     -1.08143293      4.73274189
  H     -5.64135011      0.22294876      1.26872914
          69
 Energy    -248.81565409649460     
  O     13.92999507      7.52248616    -16.67025729
  H     13.17878225      7.88092616    -16.16636117
  H     10.46325730      5.65796667    -10.50806672
  O     11.37274528      9.34923854    -10.96475820
  H     13.67770120      7.55993694    -17.58820843
  H     17.04965410      4.89542883    -12.56471869
  O     15.36085830      6.39744430    -10.07778408
  H     10.99607039      8.46459318    -10.88984092
  H     16.91398781      5.77783112    -13.82128962
  O     14.23993168      2.35368079     -9.89056583
  H     11.89892186      9.47887127    -10.16609470
  H     14.70744949      7.23875855    -11.55532007
  O     13.01655423      9.52390060     -8.62967585
  H     15.55154516      5.57312242    -10.54746544
  H     14.54999650      8.56125578    -12.36444478
  O     12.21114159     10.58640094    -13.23450671
  H     16.18264145      6.88581561     -9.95046637
  H     12.00385911      9.20112547    -14.52986331
  O     15.62406017      4.09717071    -11.57737787
  H     14.43918707      1.58391771     -9.36476973
  H     11.76497895      7.68396115    -14.44855950
  O     12.27787832      2.65203981    -11.97739667
  H     13.66068645      2.92144039     -9.35070865
  H     17.99341371      8.06763805    -10.78127352
  O     14.92312967     10.35974109    -12.51886385
  H     12.88848602     10.15399671     -7.92567132
  H     18.29219829      8.14178263     -9.26735228
  O     12.47806355      3.94179106     -8.57278601
  H     13.88707219      9.71506563     -9.02300931
  H     16.41691141      8.38499452    -14.61713693
  O     10.31659715      3.79182540    -10.46011629
  H     11.87984601     10.14576304    -12.43081357
  H     17.46135766      8.82179962    -13.58860995
  O     10.78876097      6.56595701    -10.54870582
  H     11.68181748     11.37133648    -13.35179971
  H     12.92972262      7.65471222     -8.57170543
  O     17.54111150      5.49402017    -13.13982153
  H     14.96281942      4.20114978    -12.27697986
  H     13.82341528      6.56751061     -9.20289679
  O     14.39067977      7.61057806    -12.38729987
  H     15.28025243      3.42423924    -10.97589132
  H     16.16701343      9.44272599     -9.80026510
  O     11.91480159      8.40834596    -15.07134672
  H     12.73823070      3.12449186    -12.68170392
  H     15.26571796     10.26690476    -10.74548951
  O     17.58132610      8.11667936     -9.90380671
  H     12.95604656      2.40677074    -11.33578857
  H     19.56884478      7.85398941    -12.75243910
  O     16.78356373      9.16299870    -14.18451678
  H     14.05926544     10.54997114    -12.90641211
  H     18.31775909      6.94538628    -12.66523581
  O     12.96339807      6.71329978     -8.78041779
  H     15.54600621     10.10811309    -13.21673880
  H     12.80310143      6.96286928    -12.80416877
  O     15.39399691     10.01589530     -9.81870595
  H     12.64270167      4.88885722     -8.47626497
  H     11.46074828      6.45501709    -12.24171845
  O     18.67471188      7.82003488    -12.42186799
  H     11.65833715      3.86596184     -9.07687290
  H     15.09919754      6.90992362    -13.90447538
  O     11.99687826      6.47642318    -13.04309577
  H      9.53329728      3.24881300    -10.48695258
  H     14.97928400      6.83046063    -15.46741009
  O     15.49265897      6.52462597    -14.70373755
  H     10.95781821      3.38721892    -11.07100183
  H     14.33645237      4.89866741    -14.25081425
  O     13.74285986      4.43905075    -13.64867345
  H     11.53966219      6.60674966     -9.93798570
  H     13.03377547      5.07410269    -13.45869148
          69
 Energy    -248.81529874629751     
  O     17.25828835     10.00404079    -16.44641036
  H     16.42883174     10.49218323    -16.36475769
  H     16.30892676      5.84871690    -11.52664033
  O     14.33406415      4.78129978    -14.00132545
  H     17.97482781     10.55335357    -16.10475315
  H     20.45096728      8.19508050    -15.93869970
  O     16.02569689     12.15714390    -10.87650996
  H     13.80599270      5.59447942    -14.10579159
  H     20.27153931      8.32628705    -14.41590140
  O     19.30181402      7.41158086    -13.12538825
  H     13.71714212      4.05709094    -13.94258450
  H     16.76608020      7.06739856    -15.10438551
  O     15.32446582      6.86453625    -18.22712815
  H     16.15606849     11.50518235    -10.17689251
  H     17.12693985      8.57764192    -15.28804717
  O     15.00240194      8.50547555    -12.86569525
  H     16.84593714     12.14347715    -11.38536511
  H     14.79517796     11.24247207    -15.03660219
  O     17.87964505     11.29158195    -12.90657090
  H     18.50213802      7.56859548    -13.65335740
  H     14.25793754     11.89651912    -16.33008173
  O     19.01792401      4.63235541    -12.91033909
  H     19.35813011      6.45795560    -12.99545596
  H     17.04636145      7.98037113    -10.90388072
  O     13.06489191      7.11758692    -14.30585732
  H     15.04372551      6.57323677    -19.09041621
  H     16.01471553      8.02316630     -9.78837056
  O     18.91227520      4.90125714    -15.75435039
  H     16.20651548      7.26443595    -18.33642032
  H     14.20523971      8.04619496    -17.21724169
  O     16.21535797      5.53042845    -15.93429637
  H     15.69373721      8.26098593    -13.50048561
  H     14.00319371      9.39468432    -16.47987437
  O     16.47639143      5.10432918    -12.11627563
  H     15.28802553      8.17446273    -12.00689363
  H     17.53257888      9.77415453     -9.71868877
  O     20.54131686      8.81532600    -15.20477522
  H     18.44683789     11.36247348    -13.68319359
  H     17.34354682     10.22102605     -8.25874400
  O     17.02083932      7.87344613    -14.63583222
  H     16.96957613     11.20890590    -13.22098982
  H     18.89577114      8.52993753    -11.77267450
  O     14.76637303     11.15755270    -16.00529992
  H     18.09448752      4.74957649    -12.62108951
  H     18.24521431      9.92850213    -11.79107119
  O     16.25209244      7.52922832    -10.57614566
  H     19.38562168      3.93260096    -12.37785413
  H     20.79434307      6.44765465    -17.73494206
  O     13.61244948      8.52712048    -16.62711085
  H     13.13160683      7.56953230    -15.15940456
  H     19.71564532      6.12571695    -16.67606939
  O     16.86697134     10.05450706     -9.06927276
  H     13.59370010      7.65120925    -13.69745474
  H     14.93134005     10.24862565    -13.10938401
  O     18.42057698      9.16582147    -11.22030571
  H     17.95907205      5.00753775    -15.88465462
  H     15.14877211     11.63486489    -12.44400328
  O     20.10849262      6.84429780    -17.20387408
  H     19.02883026      4.72555849    -14.81385819
  H     19.90679743     10.40603025    -15.23159767
  O     15.04783755     11.19316233    -13.29776226
  H     15.52653282      5.19496226    -15.34666448
  H     20.08222388     11.91275702    -15.55081004
  O     19.44915519     11.26764424    -15.24858539
  H     15.79923491      5.88278220    -16.73149741
  H     18.57415956      7.60311569    -18.00658292
  O     17.75776322      8.01444779    -18.31401613
  H     15.70826422      5.01376337    -12.69274394
  H     17.62443568      8.79426400    -17.75660362
          69
 Energy    -248.81433058623858     
  O     20.36335409      6.84719202    -12.35527735
  H     21.19105973      6.47623360    -12.06172836
  H     18.21885932     13.86949192    -15.97869442
  O     18.54217867     10.84959294    -11.89104375
  H     20.56943956      7.44333013    -13.09781984
  H     12.76957374     10.54147317    -15.05367369
  O     12.38006687      9.31545483    -11.86702830
  H     17.63959811     10.74518264    -12.23892053
  H     14.19976767      9.97060560    -15.02293584
  O     16.19833185      6.91468617    -12.53187320
  H     18.50553871     11.62559188    -11.32131299
  H     15.72207974      9.82978414    -13.19643155
  O     14.10553285      7.32740375    -10.68246996
  H     12.59628280     10.14584599    -11.42670175
  H     15.44519272     11.32025220    -12.87459264
  O     18.29581960      5.72011382    -13.99623628
  H     12.96819511      8.64593316    -11.50068782
  H     16.91093027      8.40197410     -9.76883817
  O     14.22889653     12.65365008    -13.25128729
  H     16.89223061      7.38888609    -12.05063591
  H     15.96206817      9.53366679     -9.31214621
  O     17.59679851      9.28625235    -16.05333573
  H     15.42202002      6.91587847    -11.95869130
  H     20.42753487      9.31717663    -14.58023924
  O     18.25802757      8.19775636    -11.08685385
  H     13.67456565      6.67263527    -10.13835241
  H     20.30779248      7.93168916    -15.25061257
  O     16.07407708     11.63030007    -16.51977599
  H     14.76926557      7.76465073    -10.11962289
  H     15.79203896     13.62835994    -13.03503015
  O     19.05486111      6.91649137    -16.30999528
  H     17.48035263      5.97593546    -13.54631126
  H     17.18195756     13.70160846    -13.69902435
  O     17.94579492     13.19807489    -15.35849664
  H     19.01172619      5.94393338    -13.38824496
  H     18.12981647     13.91179614    -10.04725823
  O     13.69321452     10.76844680    -15.23360195
  H     13.66973694     12.47104042    -12.48632943
  H     17.36504463     13.48497548    -11.32437279
  O     15.94108273     10.54312702    -12.58624999
  H     13.92955786     12.09018014    -13.97997954
  H     13.93467512     11.72867761    -10.32645281
  O     16.08298540      8.57596704     -9.30110562
  H     18.05908878      8.47178004    -16.28592620
  H     12.52845848     12.33515667    -10.10940545
  O     20.75751466      8.41047750    -14.54300988
  H     18.20543935      9.80574345    -15.50920259
  H     19.18351055     10.86953917    -13.57869951
  O     16.71123880     13.88322843    -12.87665985
  H     19.01815317      7.68943052    -11.39652297
  H     19.01008249     11.72167035    -14.85310115
  O     17.71899907     13.16498909    -10.47325674
  H     18.44067969      9.12102235    -11.30989883
  H     10.46715355      9.42936950    -14.43539314
  O     13.07032469     11.87380996    -10.74496383
  H     16.53712026     10.78283300    -16.55926796
  H     11.61605825      9.65006566    -13.43515889
  O     19.34932956     10.87673583    -14.53247680
  H     15.18059941     11.43615668    -16.21024152
  H     15.72140653     10.88951839    -10.83838010
  O     11.26363386      9.93390717    -14.29633221
  H     19.21498463      6.27219154    -16.99379122
  H     16.33037329     11.98043811     -9.93814887
  O     15.64913722     11.29716862     -9.95915283
  H     18.73411399      6.42814247    -15.53023269
  H     15.60130961      7.92627501    -13.92745312
  O     15.38373116      8.65149824    -14.52733350
  H     17.22787512     12.69872428    -15.78900056
  H     16.15646367      8.80153234    -15.09151712
          69
 Energy    -248.81413939612901     
  O     13.70331904     10.64307790    -10.74068969
  H     14.64579507     10.81728555    -10.91714241
  H     18.14272249      6.86338672    -14.50731456
  O     14.75697098      5.12961562    -11.91868934
  H     13.39724391     11.33684783    -10.16316358
  H     14.90921293      7.50707728    -16.21183702
  O     16.78829948     11.26252669    -14.25298578
  H     15.38468243      4.89939516    -11.22181354
  H     16.23282168      8.28649502    -15.97984034
  O     10.96212966      8.19542947    -16.30802299
  H     15.09869207      4.79034332    -12.76051491
  H     15.23204805      6.84066959    -12.46357952
  O     16.05092845      7.20391817     -8.73851009
  H     17.18452297     12.05237994    -14.61443068
  H     14.71261479      8.26861480    -12.83623477
  O     11.99820271      7.15409051    -13.90987746
  H     15.92442052     11.16287155    -14.68504855
  H     12.99413095      7.38912808    -10.27416768
  O     14.37475805     10.60568185    -15.46275209
  H     11.25748082      7.53456296    -16.94618773
  H     13.51969985      8.82787906    -10.03685414
  O     13.67042720      8.73806235    -18.65077591
  H     11.15536996      7.82194569    -15.43791489
  H     17.41671279      5.08766573    -10.50355178
  O     15.77489443      4.56716221    -14.37024316
  H     16.19944481      6.29101857     -9.00817041
  H     17.10025505      3.91418909     -9.54608740
  O     17.38748715      8.48634231    -14.55404716
  H     15.13878308      7.41821035     -8.98696873
  H     13.11197209      5.57459116    -11.55982317
  O     13.84416071      6.12065144    -15.75342398
  H     11.91335862      6.65860322    -13.08678552
  H     11.74212570      5.29083704    -10.89851711
  O     18.34778849      5.92398686    -14.37118473
  H     12.38556420      8.00742459    -13.65970448
  H     16.67118382      8.25651885    -11.45734466
  O     15.42715219      8.26932830    -16.51020384
  H     14.74646296      9.78822042    -15.82965025
  H     16.97794113      8.15155038     -9.95114622
  O     15.50162581      7.71879647    -12.75904081
  H     13.57857627     10.78323504    -15.97952564
  H     18.30531314      6.93842483    -11.26526945
  O     13.52689417      7.93137879     -9.68323937
  H     14.42592780      8.61793066    -18.05803765
  H     18.50953017      5.95092731    -12.44395942
  O     16.70649330      4.65902171     -9.99182128
  H     13.15243403      9.45597578    -18.26744648
  H     12.79944587      7.21676165    -18.42859502
  O     12.22541958      5.94435475    -11.39794265
  H     15.16751707      5.04846382    -14.94860101
  H     12.08876649      5.92082866    -18.89045033
  O     17.32567508      8.50155349    -10.78667918
  H     16.64186906      4.98041612    -14.45520395
  H     16.52008259     11.14044767    -12.33538670
  O     18.51413995      6.01961521    -11.48298206
  H     17.42685645      9.44293947    -14.45052794
  H     16.79862896     10.23632978    -11.10908207
  O     12.32187218      6.42718176    -18.11730389
  H     16.71510871      8.17717343    -13.92164856
  H     11.39549390     11.16090154    -17.33759043
  O     16.29664828     11.00860549    -11.40792176
  H     13.33656239      6.04491717    -16.57130351
  H     11.62646813      9.75303312    -16.74098385
  O     12.07715494     10.56136652    -17.04634985
  H     13.22607199      6.42008448    -15.07158247
  H     13.64466950      9.94898369    -13.90696507
  O     13.31294734      9.41813851    -13.17198643
  H     19.10511996      5.72668468    -14.91775498
  H     13.34330507      9.94620021    -12.36332470
          69
 Energy    -248.81406217675141     
  O     14.11653896     11.97450140    -16.44551449
  H     13.80170206     11.53105378    -15.63788644
  H     15.97653141      4.60644176    -14.70283113
  O     15.69395444      5.69585701    -13.20763242
  H     13.62114618     12.78536459    -16.52241036
  H     17.63802047     10.20085322    -19.48785765
  O     19.15374080      8.43868016    -13.14098691
  H     15.11463034      6.31418288    -12.74139393
  H     17.44877812      9.01269166    -18.52132826
  O     17.84322267      7.34571330    -18.18408802
  H     16.55623097      5.72151460    -12.77065153
  H     16.09242968      7.01654937    -14.40901201
  O     15.69673094      5.44853695    -17.79663617
  H     18.53426606      9.14358086    -13.38511209
  H     15.60109068      7.73140740    -15.69006977
  O     16.44436480     10.23220516     -9.70314118
  H     19.40254323      8.03337156    -13.98087700
  H     13.89076008     10.64509796    -13.47448962
  O     14.14341190      7.70245886    -12.12951320
  H     17.13652550      6.69364901    -18.10844300
  H     12.95001748      9.76022583    -14.31776229
  O     17.20108009     10.10580139    -14.10596554
  H     18.40835479      7.22128792    -17.41107248
  H     18.34074767      7.27276414     -9.72602673
  O     19.06363664      4.41853763    -14.43089110
  H     15.94950673      4.97529089    -16.98395833
  H     18.34119723      6.09590154     -8.71653751
  O     15.38276603      7.73111859     -9.55477738
  H     15.49616201      4.78331352    -18.45009429
  H     11.65622318      7.58927406    -14.64282717
  O     18.98313759      7.01549695    -15.61306778
  H     16.02327372      9.36536319     -9.55737132
  H     13.06400183      7.68810087    -15.26897879
  O     16.40109882      4.21830250    -15.48032474
  H     16.28140604     10.75475741     -8.92226459
  H     18.21808803      5.92638631    -11.27706142
  O     17.18553705      9.93354501    -18.69192480
  H     14.54657120      8.58302325    -12.16191941
  H     18.57064887      6.80092699    -12.51268812
  O     16.32403745      7.69800313    -15.05272411
  H     13.48991117      7.68855877    -12.84010088
  H     18.14160016      9.44421977    -10.18679261
  O     13.28699048     10.65864544    -14.22913710
  H     17.21390977     10.72861545    -14.84630714
  H     19.09287626      8.82586361    -11.25112759
  O     17.95008550      6.39998107     -9.53111461
  H     16.84366359      9.27419796    -14.45575789
  H     14.22432314     10.53385316    -17.64425526
  O     12.54842084      7.87847694    -14.46696726
  H     19.78758098      3.82077064    -14.26192358
  H     15.32666500      9.81467208    -18.44493611
  O     18.30326372      5.91150044    -12.23860352
  H     18.84875611      4.84501064    -13.58420089
  H     15.61371876     10.42110320    -11.36514995
  O     18.86713616      8.81969075    -10.31264744
  H     16.13303591      7.12484300     -9.56574909
  H     15.95640356     10.29912067    -12.87531759
  O     14.40595960      9.73960207    -18.16285355
  H     14.86226975      7.56077403    -10.35019145
  H     17.11972849     11.06854830    -17.15208368
  O     15.22763863     10.27510808    -12.23592049
  H     18.04997562      7.23811820    -15.46262502
  H     16.01240207     11.82982114    -16.39880410
  O     16.95131784     11.60535279    -16.36773358
  H     19.09328755      6.09521273    -15.34529243
  H     14.13802581      8.26790830    -17.27635810
  O     14.08801152      7.48383715    -16.70540190
  H     17.32981183      4.12917648    -15.23689191
  H     14.51697171      6.75021439    -17.16224670
          69
 Energy    -248.81400719475465     
  O     14.94566390     10.26574118    -16.03040621
  H     14.45308773     11.03676110    -16.30658048
  H     18.81162422      8.76351739    -15.94587201
  O     17.58038733      5.95077560    -11.79610063
  H     15.36248702      9.90773292    -16.82845926
  H     17.03136044      5.78123322    -15.38851927
  O     19.77971071      6.18493765    -17.76090098
  H     18.43320469      6.17435313    -12.19486400
  H     15.67709237      6.43325651    -15.77452688
  O     17.47859439      4.58118649    -18.29867014
  H     16.97702082      6.65741052    -12.06928441
  H     13.67239771      8.92408193    -15.35490217
  O     13.27382029      5.78759941    -10.13294641
  H     19.06788867      5.64443098    -18.12571133
  H     13.02356141      7.96859658    -14.31277082
  O     13.95020488      4.54309751    -14.02162098
  H     19.35789900      7.00236135    -17.46096695
  H     15.41236529      1.39934102    -10.75406299
  O     15.93182561      7.80696065    -12.96487922
  H     17.37254322      3.76886796    -18.78906990
  H     14.53583688      2.56800587    -11.26701099
  O     17.83302852      4.12515392    -15.59209649
  H     17.52385200      4.33286042    -17.36031781
  H     14.33464403      6.08516526    -17.30069568
  O     13.01830879      3.34939228    -11.65735183
  H     12.92346255      6.02440947     -9.27852218
  H     13.56232153      6.74664744    -16.10401435
  O     19.43475658      9.45227159    -14.36917813
  H     14.20133665      5.52556378     -9.99201520
  H     19.67826004      7.67280704    -13.62449384
  O     20.49281945      5.01927290    -15.41326829
  H     13.92261596      4.87583603    -14.92949699
  H     20.06678128      6.22221253    -13.99499908
  O     18.32990387      8.29681654    -16.63989893
  H     14.86653611      4.31204745    -13.82065849
  H     16.94421024      4.52822213    -12.71276384
  O     16.55037459      6.61792939    -15.40229193
  H     16.16511474      7.41211977    -13.81910817
  H     16.27320399      3.14009233    -12.53534285
  O     13.02706669      8.21667562    -15.24633891
  H     15.00587497      7.58846789    -12.79780791
  H     15.80226951      3.95414434    -10.14534009
  O     15.45315827      2.28917455    -11.09250906
  H     18.76547973      4.31388621    -15.42184162
  H     16.53393105      5.28748371    -10.39490504
  O     14.03091181      5.94777337    -16.39314095
  H     17.42563061      3.83571107    -14.76287453
  H     16.13324228      5.91525851    -18.63855905
  O     19.74341581      6.77651661    -13.27533528
  H     13.16168752      3.67764954    -12.55642177
  H     15.69313190      7.40185562    -18.62968047
  O     16.56726636      3.77796089    -13.19686527
  H     12.92899018      4.13467754    -11.10344637
  H     13.49629503      6.10578214    -13.17840655
  O     15.82954502      4.87938458     -9.87353812
  H     18.54482600      9.78653039    -14.15240658
  H     13.20175692      6.68157497    -11.77880227
  O     15.36902702      6.49946338    -18.72473782
  H     20.05333295     10.13105176    -14.11345039
  H     16.26066053     10.34274552    -14.62622538
  O     13.33161071      6.93330341    -12.70132685
  H     20.35018421      5.44736821    -16.27604354
  H     16.53806711      9.45232741    -13.40898038
  O     16.88610152     10.20824086    -13.90536454
  H     21.34188458      4.58712646    -15.45427914
  H     17.13454069      8.95382688    -17.73449291
  O     16.34866298      9.21910646    -18.24375855
  H     17.69594088      7.71371857    -16.19144986
  H     16.66436419      9.66222779    -19.02792811
          69
 Energy    -248.81376717091371     
  O     16.69048869     12.01604274    -15.62501783
  H     16.94216696     11.79113202    -16.52937969
  H     17.92667072      8.84979014    -16.54084652
  O     12.61130312      7.08186134    -15.71510262
  H     17.46378688     11.85391756    -15.07233998
  H     15.71439714      8.79813480    -15.75210007
  O     17.64218573      7.29732784    -11.57305901
  H     11.78278264      6.71426861    -16.00972007
  H     16.70146257      8.93698105    -14.54730101
  O     18.19785540      6.33157472    -17.86623281
  H     13.31982074      6.55941070    -16.13571246
  H     15.03911342     11.86792713    -15.11234356
  O     15.89949221      6.67156971    -19.25617102
  H     17.04962066      6.70063525    -12.05538742
  H     13.66323849     12.56532471    -14.99082837
  O     13.98208784      8.23704920    -10.44759496
  H     17.31716638      7.30060790    -10.66627665
  H     15.83874145      3.85171882     -9.70642195
  O     13.69009097      7.29669627    -13.12858739
  H     17.98044226      5.96847235    -16.99929871
  H     15.75802807      5.38572085     -9.76775811
  O     16.99310719      9.64755612    -12.87689613
  H     18.51828279      7.23152197    -17.70902896
  H     13.44894659      8.69763850    -16.13426012
  O     17.09902796      5.83146472    -15.25580197
  H     16.76324669      6.53030275    -18.82803572
  H     13.92456314     10.17489643    -15.87071244
  O     20.21994356      9.28570434    -14.88267737
  H     15.92660041      6.20453272    -20.08715760
  H     18.81811785      6.38076566    -14.28927191
  O     14.67456581      5.77806105    -16.85395344
  H     14.05877720      9.06730554    -10.93570506
  H     19.00290858      6.97280736    -12.88596751
  O     18.64939300      9.00550162    -17.16985568
  H     13.67808952      7.61440215    -11.11913497
  H     15.69353814      5.07480504    -12.00939551
  O     16.56572143      8.50898756    -15.40199364
  H     13.22245198      7.18079111    -13.96374034
  H     15.05687760      6.14470463    -12.95217788
  O     14.10509465     11.72960772    -14.86793016
  H     13.89077181      8.24038195    -13.05023188
  H     15.33646776      7.56789020     -9.57127051
  O     15.55885296      4.57628955    -10.26098523
  H     17.34171118      8.89357895    -12.38230016
  H     16.19713174      7.48652950     -8.28831181
  O     14.08244470      9.37813307    -16.39239833
  H     17.70971320     10.26155289    -13.07867589
  H     17.50716120     11.80142782    -19.05238498
  O     19.44326563      6.86247552    -13.73799253
  H     16.90955087      6.78294214    -15.32605965
  H     16.63407956     10.62205815    -18.55966805
  O     15.83013535      5.57470141    -12.82555899
  H     16.69964741      5.54433439    -14.42224499
  H     14.10200111     10.66682193    -13.29596258
  O     16.11013286      7.13265545     -9.16912955
  H     19.85790048      9.19415773    -15.77418278
  H     15.28540563      9.93367968    -12.64018750
  O     17.34699599     11.23550624    -18.30231249
  H     20.06564958      8.43492177    -14.44794336
  H     19.44351076     10.66174805    -14.24422961
  O     14.31817896     10.01448575    -12.62146314
  H     14.99240509      6.05878294    -17.72149671
  H     19.51654455     12.02861115    -13.52070628
  O     18.90700587     11.39290524    -13.88449480
  H     15.46282191      5.62827696    -16.32017138
  H     14.83692971      9.44665428    -18.05576119
  O     15.39525965      9.45206176    -18.84581409
  H     18.38723805      9.78698703    -17.66881479
  H     15.56619842      8.52667133    -19.05760574
          69
 Energy    -248.81353485208433     
  O     13.94497199      9.70759424    -10.88765021
  H     13.83295312     10.28956107    -11.65047799
  H     15.43462735      4.13512057    -15.86787499
  O     14.22920060     10.79474786    -16.80951424
  H     13.23095575      9.05108226    -10.87954224
  H     16.20255409      4.64877268    -11.02044196
  O     16.83797579     10.81441077    -13.13084878
  H     13.70229570     10.15334268    -16.31682686
  H     17.54811607      5.37172936    -11.08032173
  O     13.34281852      4.98577767    -13.24338925
  H     14.11801193     11.63552240    -16.34804366
  H     11.89920546      7.41544491    -11.84132320
  O     16.08152762      6.95617838     -8.81436272
  H     17.14465096     10.64006378    -12.22950145
  H     12.80527415      6.84527806    -10.73058244
  O     16.94874548     12.67039408    -15.22874140
  H     15.87321813     10.84796331    -13.12000932
  H     18.81688181      7.83332941    -14.16523565
  O     15.51646401      7.73256206    -12.19582417
  H     13.70224363      4.98178568    -12.34841445
  H     20.23822482      7.31165565    -13.85979245
  O     14.00162936     11.01520195    -13.29518243
  H     14.07817937      4.82564165    -13.84719734
  H     15.24378359     13.08771544    -15.17407359
  O     18.00041856      7.26532981    -11.11998923
  H     15.87026725      7.88438710     -8.64968564
  H     14.02811560     14.04620901    -15.22458301
  O     17.67545419     10.07364323    -10.61689997
  H     16.90649681      6.97618300     -9.30920854
  H     12.42044062      8.38649452    -14.55666529
  O     17.83315762      4.72291506    -13.93206409
  H     17.08595568     12.05743021    -15.96064637
  H     13.88270581      8.45931809    -15.03902112
  O     15.46190110      4.77130423    -15.15862560
  H     17.06966682     12.14407304    -14.42526429
  H     17.11368213     10.58153735    -18.11229784
  O     17.12345751      4.52581796    -11.27235161
  H     15.37991778      7.70050692    -13.14964910
  H     15.94872316     10.56523823    -17.09610857
  O     12.23572251      7.59040555    -10.95359330
  H     15.02116973      8.47344448    -11.82541347
  H     10.69353185      6.59309402    -13.88416230
  O     19.31741806      7.18543281    -13.64247133
  H     13.62846632     10.31818774    -13.85471904
  H     12.16481972      6.23020508    -13.57467189
  O     14.27116351     13.12894627    -15.13646316
  H     13.98895048     11.82602910    -13.81742792
  H     14.79048400      6.34662082    -11.33537290
  O     13.07069463      8.98311497    -14.94476378
  H     17.11834365      7.44708825    -11.48816464
  H     14.87388334      5.96219229     -9.86248987
  O     16.91844771     10.52824343    -17.18050410
  H     18.59548780      7.22850494    -11.87927573
  H     15.43209702      6.59390866    -15.14128408
  O     11.54040154      6.97291286    -13.66322759
  H     17.04222406     10.07736698     -9.88850579
  H     16.23559350      7.94807415    -15.08244535
  O     14.47064033      5.68590459    -10.69827794
  H     17.97224512      9.15917298    -10.69444122
  H     15.21826860     10.32324830     -8.02813751
  O     15.36630794      7.54231904    -14.97182903
  H     18.40550063      5.49677834    -13.90368677
  H     14.93322007      9.80297634     -9.45789160
  O     15.56739099      9.76732823     -8.71975407
  H     17.61504841      4.51379001    -13.01076181
  H     17.59116921      9.46622126    -15.82276081
  O     17.73640047      9.00045348    -14.98920399
  H     16.34079584      4.69587828    -14.74330566
  H     17.45957674      9.60855818    -14.28490821
          69
 Ord_Energy   -248.813446    
 O    7.80092764       3.20416141       1.66714442    
 H    7.34085798       4.01847458       1.91463149    
 H    7.13882780       2.51436448       1.54103470    
 O    6.18840075      0.865380287      -1.88058937    
 H    5.40324402       1.25667453      -2.28752542    
 H    6.92983246       1.19716883      -2.39972520    
 O    1.93133652       2.62313390      -1.00239325    
 H    1.80737376       3.56475663      -1.23070025    
 H    1.06876504       2.21899271      -1.01563644    
 O    8.31867409       2.24647760      -3.21982670    
 H    8.44293690       2.67295814      -2.35198355    
 H    9.15145111       1.84008002      -3.44845819    
 O    3.82854009       5.56845379       1.84776151    
 H    3.77126026       4.63567591       1.60171473    
 H    3.52677441       6.08799267       1.08915603    
 O    3.12149739       7.24614477     -0.271757782    
 H    3.21796036       8.07578850      0.210981816    
 H    3.85628939       7.19656467     -0.901325166    
 O    4.11976576       2.50732279      -2.81450009    
 H    4.68022013       3.14332104      -2.34328222    
 H    3.31844568       2.41544890      -2.28242612    
 O    6.72464800       7.90744734       3.86314654    
 H    7.30616522       8.28456306       4.51727295    
 H    6.70924425       8.52334118       3.10809302    
 O    5.58274555       6.39618731      -4.66509962    
 H    5.73445272       6.87328911      -5.47641373    
 H    6.38315487       5.86840916      -4.49547052    
 O    9.21264172       6.19675398      -1.72560275    
 H    10.0255871       6.69534683      -1.72693360    
 H    8.59115696       6.67534065      -1.15077198    
 O    8.42795467       3.63689852     -0.916572511    
 H    8.35569572       3.47950077       3.64593193E-02
 H    8.81059170       4.50971556      -1.06540561    
 O    3.99364400       3.03395057      0.815759599    
 H    4.57503462       2.26807642      0.905884743    
 H    3.24575472       2.78754711      0.253877550    
 O    1.78664756       5.19253302      -1.72229695    
 H    2.09829021       5.95875645      -1.22833180    
 H    2.21890259       5.21527767      -2.58962202    
 O    6.50840902       9.40863609       1.60133255    
 H    6.84240150       8.81996918      0.911842227    
 H    5.56478977       9.52105141       1.43130434    
 O    5.62154341       4.21953773      -1.16380453    
 H    6.54750252       3.97169590      -1.05672741    
 H    5.12407112       3.87642312     -0.410046697    
 O    5.97649956       1.09001541      0.831588209    
 H    6.05708122      0.220669538       1.21562684    
 H    6.09447336      0.981082261     -0.128869876    
 O    3.86579490       7.77782631       3.56976485    
 H    4.78676128       7.80271435       3.85647845    
 H    3.74869061       6.92391396       3.12912655    
 O    5.28833914       6.81714821      -1.91636336    
 H    5.35822248       5.87720442      -1.67918599    
 H    5.33729267       6.85674047      -2.87786984    
 O    7.82660198       5.01158333      -4.00512266    
 H    7.92913389       4.06148911      -3.87880874    
 H    8.32752323       5.43702269      -3.29891443    
 O    3.19480968       4.89039326      -4.10630178    
 H    3.51274586       4.00320768      -3.89659834    
 H    3.97102642       5.39135504      -4.38097286    
 O    3.63574529       9.45055676       1.43225384    
 H    3.08021736       10.2047472       1.61215830    
 H    3.64752221       8.91071415       2.24338222    
 O    7.30122328       7.29936504     -0.124981612    
 H    6.57990456       7.23509169     -0.769456148    
 H    7.09051180       6.70231485      0.607463419    
 O    6.58612537       5.72308779       2.08760786    
 H    6.74541378       6.36040735       2.79534078    
 H    5.62480354       5.65225792       1.99656951    
          69
 Energy    -248.81266128936630     
  O     15.68922961     11.38002823    -16.29606889
  H     15.86221711     10.95248348    -17.14171441
  H     19.13737026      5.54766500    -16.79490892
  O     13.17310778      6.00925822    -14.58243603
  H     16.55112247     11.54393351    -15.89534324
  H     17.60785658      8.96507734    -18.14794946
  O     18.76034176      7.85938569    -12.14568529
  H     13.49830498      6.28517917    -13.71544573
  H     18.34883605      7.59005808    -18.07671549
  O     18.28616099      5.80485545    -18.51803843
  H     12.79114699      6.79059043    -14.99869984
  H     16.75041808      8.41615254    -14.76477111
  O     15.62313741      5.42791240    -18.15541421
  H     18.19627871      8.53293761    -12.55535507
  H     17.30425383      7.98777885    -16.15176070
  O     14.66206283      8.49819431     -9.75890171
  H     19.45013307      7.66106201    -12.78959227
  H     13.78292342     10.34491504    -13.94841037
  O     17.06407370      9.60759995    -13.40676570
  H     17.33824273      5.61438542    -18.39912942
  H     14.24247525     10.82722312    -15.35260648
  O     16.83332877      5.09379123    -14.78089230
  H     18.56192044      5.34176356    -19.30439637
  H     12.65331389      9.13838933    -15.53290783
  O     14.33733755      6.88273353    -12.17177912
  H     15.23841957      4.84833128    -17.48675500
  H     11.34164005      8.56671311    -16.12569672
  O     19.84757603      9.68989187    -15.74138456
  H     15.19480683      6.28370218    -18.02071400
  H     20.16083909      6.66867979    -14.85080630
  O     14.48569060      4.07324223    -15.92843341
  H     14.33019309      8.52222641     -8.86557429
  H     21.47914377      7.07295771    -14.15719174
  O     19.36226703      5.48626296    -15.86028182
  H     15.57674700      8.17116822     -9.70407487
  H     17.56351613      6.44568958    -12.15134277
  O     18.29065630      8.46843964    -17.67859997
  H     16.19894304      9.78566787    -13.01697943
  H     16.88416142      5.34549131    -12.99098788
  O     16.63953244      7.77936388    -15.48173203
  H     17.38720300     10.40920419    -13.83634246
  H     16.95970304      6.56214533    -10.28795839
  O     13.49543688     10.45392319    -14.86213488
  H     16.71996087      6.02743936    -15.02096805
  H     17.87189790      7.76614007    -10.35010738
  O     12.24813726      8.34571681    -15.93274758
  H     16.08318265      4.61844514    -15.15525333
  H     15.43986403      9.14650006    -18.31211053
  O     20.57045081      7.33880662    -14.27553077
  H     14.23414675      7.26195181    -11.29135408
  H     15.67386137     10.05226646    -19.54655479
  O     16.87885509      5.76105677    -12.11835875
  H     15.21225923      6.46603869    -12.18282650
  H     14.52509573      9.63696892    -11.38222000
  O     17.16539715      7.38027026     -9.81692183
  H     19.41741342      9.29105423    -16.51136915
  H     14.42125242      8.71846086    -12.58266597
  O     16.04384176      9.80175563    -18.70413744
  H     20.15205153      8.95374827    -15.19829495
  H     18.84324072     10.99521836    -15.23129256
  O     14.51132114      9.65420513    -12.34589004
  H     14.01614105      3.25124157    -15.81840663
  H     18.66468856     12.45498468    -14.74446632
  O     18.18759323     11.65132309    -14.93096566
  H     13.97004449      4.75572079    -15.46004276
  H     13.72551262      8.04207639    -16.98158350
  O     14.60474956      7.92168042    -17.35888840
  H     18.54897834      5.19223743    -15.42591324
  H     15.22552757      7.87310215    -16.61466933
          69
 Energy    -248.81264563018112     
  O     10.91896156      9.22747993    -13.25901903
  H      9.98851887      9.05593977    -13.14227631
  H     19.35708601      9.79099732    -14.01701675
  O     16.93510386      7.84506751    -14.43790280
  H     11.39211043      8.60647888    -12.67615785
  H     13.07736062     12.47391323    -14.46917931
  O     16.28280817     12.13488362     -9.94932031
  H     16.68834447      7.44422175    -15.28029345
  H     14.51277505     12.73478619    -15.00265065
  O     16.28766814     12.13504367    -14.60054004
  H     16.29044014      8.54963271    -14.25637545
  H     14.27961185      9.48422638    -14.33580614
  O     13.80782166      6.32118540    -15.38161649
  H     16.83736928     12.24992478    -10.74253191
  H     14.81584327     10.09020400    -13.00098068
  O     16.22769028      6.77575717    -12.01732495
  H     16.21568862     12.98872413     -9.53089894
  H     12.76137841      6.71339213    -12.14766710
  O     14.29777874     10.76574498    -11.40331356
  H     16.84911469     11.96776604    -15.36709029
  H     12.94574378      7.77493126    -11.06051796
  O     17.90283343     11.20990808    -16.71479671
  H     15.86454257     11.28854806    -14.38839901
  H     13.67148228      4.46349511    -12.86067407
  O     18.34349119      7.96007229    -10.69750644
  H     14.55224308      6.40774924    -15.98792431
  H     13.90429888      5.67633462    -13.79427710
  O     15.72206414      9.57655312    -17.56533704
  H     13.37656975      7.18796661    -15.37949687
  H     18.35925454     11.54484256    -12.25540430
  O     16.06943527      6.97344681    -16.96029013
  H     16.52392596      7.11104164    -12.87779064
  H     17.26481761     12.31410337    -13.04247312
  O     19.06313356      9.56343731    -14.90565570
  H     15.49654293      6.17596190    -12.21274127
  H     19.12825220      9.31968834    -11.65750551
  O     13.58245530     12.72404474    -15.25774455
  H     14.28316116      9.90654663    -10.96045635
  H     20.37723952     10.22368159    -11.69779221
  O     15.08073756      9.74940353    -13.86578021
  H     14.91735146     11.31761718    -10.91149863
  H     16.58104548     10.42788271     -9.17747588
  O     12.32788452      7.47113125    -11.73794693
  H     18.55625755     11.63403484    -17.26425832
  H     17.30507707      9.09138132     -9.45311468
  O     13.94594846      5.37646207    -12.86728319
  H     18.38552215     10.63157192    -16.09646470
  H     13.33779911     11.61344959    -16.52800246
  O     17.73518637     12.27711168    -12.19866024
  H     18.81875534      7.29104663    -10.20868521
  H     12.69040965     11.27690727    -17.89371259
  O     19.54574972     10.05232815    -12.13543301
  H     17.61123308      7.49997726    -11.13991626
  H     15.10389389      7.76673746    -10.86611436
  O     16.63191768      9.50342003     -8.89988378
  H     14.89607408     10.06671489    -17.47747613
  H     15.18056296      8.64190164     -9.59557532
  O     13.21895841     10.90846301    -17.19158550
  H     16.43779255     10.17894119    -17.32884076
  H     11.67381752     10.99944076    -13.08754923
  O     14.56248421      8.26078472    -10.23602715
  H     16.50570030      6.54498752    -17.69117481
  H     12.91343159     11.53105136    -12.36559528
  O     12.24109151     11.77513890    -13.01629064
  H     15.91619767      7.89863258    -17.22762789
  H     12.80879291      9.57269118    -15.97903411
  O     12.80931155      8.90426558    -15.28232227
  H     18.38972115      8.87970082    -14.77732348
  H     12.06840992      9.07249401    -14.68547516
          69
 Energy    -248.81247545389823     
  O      3.96359228      0.13703694      0.97944097
  H      3.32612476     -0.50364421      0.62780061
  H      1.14709395     -3.00977676     -2.92786301
  O      0.50099522      1.85196089     -2.30563067
  H      4.29287146      0.63254122      0.21968313
  H      0.02186126     -2.53790978      2.49583829
  O      0.13311251      0.37836591      0.05978325
  H      0.37049330      2.60777561     -1.71737250
  H      0.82807200     -1.42009102      3.17336922
  O     -1.44900694     -1.25835151     -2.52014533
  H     -0.30892549      1.73387707     -2.81781840
  H     -4.87278027      1.56673498      0.72821210
  O     -2.52089717      2.96447054     -1.33835606
  H      0.24687846      0.84037602     -0.78033715
  H     -3.49653296      1.61970062      1.43687701
  O     -2.00621151      1.38681503     -3.46620547
  H      0.83487475     -0.28178124      0.12216364
  H     -0.07397636      3.35897590      0.60569134
  O      0.16849140      2.11633702      2.15522761
  H     -1.88417170     -1.24238427     -1.65817301
  H      1.04903982      3.88258903     -0.27792846
  O      3.69266059     -1.32864075      3.38428077
  H     -1.67575962     -0.41954435     -2.93955594
  H      3.06899851      1.97144362      3.40950353
  O      3.15150771      0.81462024      4.96885982
  H     -3.00909374      2.51729845     -0.63492302
  H      3.25982399      1.50812305      1.95401358
  O      0.54421329      0.11319781      4.15459884
  H     -1.75364458      3.38754485     -0.93692583
  H     -2.06353562     -2.06826446      1.40489355
  O      4.44967645      1.62980627     -1.33854481
  H     -2.41142028      1.72889479     -4.25852298
  H     -2.39289335     -3.43672961      2.04305799
  O      1.08445098     -2.25948828     -2.34238424
  H     -2.28766245      1.96448381     -2.73297309
  H     -2.54519626      0.99442178      3.36678750
  O      0.92292729     -2.22213368      2.63902957
  H      0.12039248      1.47917852      1.42324706
  H     -1.66263181      2.08312458      2.71132587
  O     -3.93841543      1.44244795      0.58543911
  H      1.10907215      2.29493975      2.29949770
  H      1.91366144      0.82829558     -2.70646505
  O      0.08825656      3.74058159     -0.26416298
  H      2.92167610     -1.86583598      3.17545102
  H      2.23980059     -0.67457332     -2.68255661
  O      2.91361459      2.23430746      2.49531817
  H      3.95458149     -0.90004543      2.55695094
  H     -2.15618078     -1.35965959      3.55591892
  O     -1.83309398     -2.66935422      2.13295514
  H      3.43070141      0.01611241      4.48476022
  H     -1.25947080     -0.42645304      4.38169161
  O     -2.57765958      1.81435169      2.85129209
  H      3.65378668      0.83869854      5.77851642
  H      1.61109237     -2.01287675      0.98368222
  O      2.64541533      0.19433700     -2.75849825
  H      0.35646691      0.81280023      3.51584074
  H      1.70262029     -2.04220189     -0.60520122
  O     -2.18239015     -0.60658782      4.15670269
  H      1.36398371      0.36445314      4.59659876
  H      2.95984565      3.36695256      0.89981777
  O      2.03194509     -1.62686552      0.20145147
  H      3.85437748      1.08799155     -1.88704256
  H      3.37335100      3.04755916     -0.54310296
  O      2.82867586      3.64364076     -0.01549368
  H      5.21244091      1.82853297     -1.87513181
  H     -2.98560849     -0.13494318      0.26038238
  O     -2.33029012     -0.83357531      0.14256097
  H      0.18080964     -1.91050945     -2.43575954
  H     -1.46400885     -0.39588758      0.13377263
          69
 Energy    -248.81245482098780     
  O     17.66458673     10.46929680    -10.07676198
  H     16.76166505     10.16946558     -9.92288006
  H     13.37444129      8.03025845    -14.43705656
  O     12.80039669      6.48709059    -10.82314620
  H     18.18380021      9.66673652    -10.21029766
  H     14.44668298      6.33268272    -15.31904242
  O     18.43166942      9.08949292    -13.37408909
  H     13.45200678      6.58515840    -10.11855403
  H     13.27588417      5.78433673    -14.47045597
  O     17.19505645      8.85854564    -15.81943723
  H     12.46605931      7.37244952    -11.01291747
  H     16.28415656      5.91412960    -16.44998105
  O     17.94339562     11.62987735    -12.60559834
  H     18.19886214      8.97193899    -14.30383347
  H     16.61002644      7.14170060    -15.56681676
  O     14.87718808      6.95416357     -8.90406256
  H     18.35916462     10.03794284    -13.17306501
  H     16.71865604      8.67338590    -12.84566533
  O     14.97418657     10.59608262    -15.53051838
  H     16.48842659      9.50057564    -15.67269954
  H     15.89443230      7.38418979    -12.56576998
  O     15.41010495     12.60737661    -13.60872420
  H     17.28657151      8.76059224    -16.77820603
  H     15.34090264      9.06895033    -11.02410413
  O     13.57035016      6.98396217    -17.95098869
  H     17.11634314     12.01532688    -12.91277859
  H     14.92452805      8.67895455     -9.58494654
  O     12.37034103      9.22803362    -11.45894329
  H     17.82794885     11.40220169    -11.67073301
  H     12.87329704      3.97208789    -12.69847021
  O     16.02645099      5.56133296    -12.84544025
  H     14.91837416      6.64403674     -8.00357645
  H     13.06212851      5.39635191    -12.12167485
  O     13.55151674      8.85459733    -13.96497570
  H     15.67657624      6.62530636     -9.35467930
  H     16.80635465      5.77644752    -11.15131631
  O     13.48609983      6.38092571    -15.19924666
  H     15.16991016     11.35930758    -14.97380079
  H     17.77000687      6.76663797    -10.45864284
  O     16.27434401      6.23439674    -15.53923773
  H     14.37267150     10.03257131    -15.02021619
  H     15.93567311      5.02966941    -18.92483244
  O     15.85375845      8.34972751    -12.56455170
  H     14.85041667     12.32993648    -12.86294380
  H     15.06606784      6.12506249    -18.25890874
  O     14.99364431      9.42800202    -10.19039191
  H     15.34050315     13.55774810    -13.66271111
  H     18.93358276      8.36086389    -11.83364721
  O     13.29659474      4.81005613    -12.86420558
  H     13.32637067      6.78253521    -17.03764241
  H     20.00541492      7.96162551    -10.79629775
  O     17.04994977      6.14529651    -10.29201520
  H     13.72691118      7.93568406    -17.99324744
  H     14.56010035     10.12451537    -17.22301523
  O     15.96371015      5.74729394    -18.29823150
  H     12.63960355      9.12721833    -12.38480087
  H     13.95558542     10.42840979    -18.60986961
  O     19.06404262      8.06277080    -10.91708198
  H     13.18908456      9.31839075    -10.95289562
  H     16.71461662      7.51459771    -18.58155617
  O     14.36681108      9.73942288    -18.09293382
  H     15.13037962      5.20127607    -12.82041088
  H     16.07832421      8.91604728    -18.54204570
  O     16.92634399      8.45436593    -18.51918623
  H     16.25992257      5.66121840    -13.77891616
  H     14.42539774     11.16036984    -10.90013304
  O     13.91755315     11.71939417    -11.50199923
  H     14.37248329      8.71037114    -13.46683146
  H     13.08946731     11.24384382    -11.62157687
          69
 Energy    -248.81206003482123     
  O     17.00350850      7.99018210    -15.70854989
  H     16.60293423      7.26371772    -16.18035579
  H     18.24689310     11.23224515     -9.85731080
  O     15.35252257     11.03292395    -13.80698476
  H     16.59103762      8.79367280    -16.05945936
  H     19.94814349     16.58041130    -14.26189591
  O     21.47791618     10.86892288    -11.73886398
  H     15.07339222     11.95891314    -13.82639059
  H     19.19062934     16.67010903    -15.59423298
  O     21.06497936     13.42025775    -12.94415878
  H     15.46704232     10.75068966    -14.72437123
  H     20.35381914     11.94536237    -15.89171413
  O     15.63556041      9.93236444    -11.28035470
  H     21.45713222     11.79007727    -12.02523817
  H     21.43339381     11.18172890    -15.09400955
  O     19.72586769     10.04797451     -9.83411685
  H     21.59145780     10.34696994    -12.54178896
  H     18.64087265      8.87016569    -10.81520709
  O     19.06550190      8.47257586    -13.91980463
  H     20.15786052     13.43497953    -12.60309181
  H     17.19810533      8.82076749    -11.35209273
  O     17.48939324     14.23998446    -16.65779846
  H     21.05397987     12.96630849    -13.79960266
  H     14.65525021     13.29423747    -15.95092853
  O     21.69068685     15.94780287    -13.75110025
  H     15.44747893     10.27247933    -12.16934321
  H     15.77883080     13.48276293    -16.96724808
  O     18.61608451     11.72906538    -16.40333398
  H     14.80718700      9.60916070    -10.93301001
  H     19.78616901     16.48897537    -18.16343741
  O     16.06779989     10.50111869    -16.49674811
  H     20.36904360     10.35053833    -10.49905951
  H     20.32746577     15.51474021    -17.08945907
  O     17.48064829     11.79980689    -10.01631013
  H     20.22560372      9.83068211     -9.05146643
  H     17.60991347     14.37161093    -13.25211470
  O     19.07797305     16.75814958    -14.63990352
  H     18.72984613      8.29236577    -13.02712382
  H     17.76684141     15.66347633    -14.10347925
  O     21.18649865     12.05887319    -15.41134212
  H     18.38690147      8.21478000    -14.55932676
  H     21.82131887     15.17997289    -15.49971924
  O     18.05408000      8.37912520    -11.40518116
  H     17.39553485     14.45828408    -15.71984562
  H     21.64322592     13.77280814    -16.10956396
  O     14.95413119     12.99886763    -16.81827459
  H     18.12892619     14.86238312    -17.02597547
  H     22.19338781      8.80417153    -14.49552926
  O     19.53541065     15.99828936    -17.38575681
  H     22.35750325     16.36426122    -13.21146626
  H     20.70312740      9.06436606    -14.17889768
  O     17.18168285     14.91071550    -13.93233100
  H     21.51834732     15.07404673    -13.35981319
  H     17.16827305     11.04741347    -13.73695822
  O     21.67947790     14.71146588    -16.33227421
  H     18.25997241     12.61272546    -16.57737423
  H     18.47465483     10.19278058    -13.73567679
  O     21.57556344      9.48895761    -14.25152138
  H     18.47145207     11.54968967    -15.46005674
  H     14.04428321     14.30212418    -13.59456525
  O     18.13266779     11.09420569    -13.78033253
  H     16.98450687     10.79279842    -16.60081466
  H     15.54077711     14.23737020    -13.96835635
  O     14.69893257     13.75326003    -14.01906650
  H     15.53389233     11.27138453    -16.74174013
  H     18.10167724     12.91257484    -11.30279112
  O     18.44443794     13.22789845    -12.14969455
  H     16.79591753     11.21795329    -10.36640368
  H     18.41224747     12.45730716    -12.73952128
          69
 Energy    -248.81200552595379     
  O     17.41791692      7.27695607     -9.89086435
  H     18.05542091      7.29592099     -9.18115137
  H     15.01782182      4.08374561    -13.66245953
  O     11.48440095      9.23264626    -12.04047135
  H     16.61411205      6.86639972     -9.52996443
  H     13.83601422      7.68797892    -13.76096499
  O     11.91672052      3.98675620    -12.41365210
  H     11.81266612      9.17302053    -12.95003239
  H     15.35991544      7.38785342    -13.54753683
  O     13.97100213      5.77256870    -16.44098930
  H     10.67858968      8.70481953    -12.01699562
  H     16.60726428      8.80035338    -10.69157137
  O      9.42398695      7.20305074    -11.85095390
  H     11.82677945      4.73951461    -11.81039436
  H     15.12985541      9.15125417    -10.90870842
  O     16.64139232      3.55026541    -12.93644658
  H     12.71046143      4.12616069    -12.95222388
  H     12.46612461      1.54432147    -10.29363457
  O     15.93581630      7.59467486    -16.81521182
  H     14.04790167      5.20100513    -15.66635340
  H     12.42545403      2.86708836    -11.09090292
  O     12.57173723      4.65220386     -8.43639068
  H     13.06018042      6.09209147    -16.44715464
  H     13.96293827      7.61513097    -11.64953369
  O     11.34861239      6.83304677    -16.20418333
  H     10.08553695      6.75916732    -11.29199225
  H     12.84155137      8.55580945    -11.12479495
  O     14.74047220      9.96988255    -15.71462242
  H      8.61603168      7.23615128    -11.34470642
  H     10.70794737      4.91446952    -13.60542893
  O     12.59666504      8.74669965    -14.55609908
  H     17.12332320      4.37704024    -12.74793494
  H      9.85353739      6.18102553    -13.39303223
  O     14.19168764      4.51573073    -13.91223149
  H     17.29265509      2.90510962    -13.19661984
  H     11.74456188      5.57183572     -9.72791099
  O     14.46954725      7.15555097    -13.25782512
  H     15.23333952      6.92822200    -16.70842883
  H     12.20139098      6.72930686    -10.65146903
  O     16.02484431      9.45429443    -11.09801471
  H     16.30145334      7.46966168    -17.68668377
  H     14.51579156      3.22671094    -10.44638878
  O     12.81287112      2.43238125    -10.31304640
  H     12.69908571      3.81376999     -8.89777545
  H     15.74829467      3.64155899    -11.28810380
  O     13.56395754      7.97341696    -10.83889871
  H     13.43187869      5.08923381     -8.42209281
  H     17.11108139     11.24050151    -13.46824591
  O     10.23099701      5.60984819    -14.07365020
  H     10.92242098      6.36030290    -15.46642697
  H     16.36948392     10.15239315    -12.65967166
  O     11.52726592      6.04718056    -10.54251789
  H     10.69106736      6.92455507    -16.88844875
  H     15.10752486      5.35843451     -9.67090042
  O     15.27284585      3.82389415    -10.46997257
  H     15.16695880      9.24119462    -16.18324681
  H     14.45921076      6.79199806     -9.65654222
  O     16.60741497     10.43604218    -13.56046714
  H     15.34376168     10.22812007    -15.00668609
  H     17.68228639      6.55451926    -13.05927888
  O     15.00674723      6.17656906     -9.15233075
  H     13.25291871      9.28024297    -15.02943238
  H     17.75332944      6.33667778    -11.52846491
  O     17.84687455      5.88899556    -12.37682432
  H     12.14078516      8.18388629    -15.19314542
  H     17.04007534      8.71265107    -14.06257325
  O     17.04200904      7.76638729    -14.25905171
  H     14.27563622      5.44283483    -13.63704008
  H     16.77988650      7.66318740    -15.18367300
          69
 Energy    -248.81197618288383     
  O     13.56942767     11.27450792    -14.16243907
  H     14.01231378     10.97323849    -13.35756629
  H     15.75224542      5.05929116    -14.90318937
  O     14.49463463      5.52412235    -17.72718926
  H     14.09751431     10.95505696    -14.90386875
  H     13.52642054      7.59783044     -9.66693682
  O     13.03791533      5.76488093    -12.17470603
  H     14.43287076      5.25689281    -18.64024194
  H     13.55251083      6.29534763    -10.48681119
  O     16.52921268      6.40778552    -10.42186766
  H     14.19188688      6.44862052    -17.68396262
  H     14.87860465      7.87169405    -14.10754773
  O     12.92173215      4.12623946    -15.72266106
  H     12.07636134      5.79611077    -12.24153258
  H     14.15284773      8.62656366    -12.98221491
  O     10.96958715     10.50568838    -14.10395704
  H     13.38212857      6.52391056    -12.67079957
  H     15.83931723     10.77114971    -16.77494794
  O     13.66141444      8.09279714    -17.47544261
  H     16.78702881      7.29842859    -10.67393956
  H     15.71825353      9.51976794    -15.87467988
  O     18.77344105      8.12044822    -13.36808441
  H     15.62812211      6.48460181    -10.07155422
  H      9.54239659      5.60954558    -12.12120051
  O     11.88919542      8.17171274    -15.35532909
  H     13.55809271      3.98525076    -15.01184895
  H     10.33518546      5.92779177    -13.41292052
  O     17.04719307      4.14319511    -11.77632757
  H     13.41165268      4.54490219    -16.43991536
  H     10.85827104      9.38202144    -12.57746671
  O     18.45791608      5.49250097    -13.80558256
  H     10.39570632     11.22976502    -14.33798272
  H     10.63764883      7.93677216    -12.04799662
  O     16.27906925      5.48307325    -15.59786773
  H     11.88143628     10.84872824    -14.12627936
  H     15.57977252      4.05444095    -12.96320711
  O     13.91078089      6.71467115     -9.69129589
  H     12.92294424      8.10106192    -16.84923220
  H     14.17670960      4.68927518    -13.05450357
  O     14.05664320      7.89354895    -13.60475906
  H     14.18443889      8.86839794    -17.24798605
  H     11.02903010      6.54388456    -15.28649794
  O     15.21051037     10.23010081    -16.30291936
  H     19.63593358      8.37592479    -13.68454511
  H     11.40058813      5.04504606    -15.29522723
  O     10.26042372      6.13492179    -12.46271571
  H     18.71493993      7.15181719    -13.46835344
  H     12.37448205      9.81218617     -9.20287610
  O     10.92112366      8.82356745    -11.79368735
  H     11.43614358      8.96870389    -15.05742246
  H     12.07391242      9.15565922    -10.57159304
  O     14.85209708      4.22681142    -13.57275792
  H     12.63223658      8.04549838    -14.74642286
  H     16.43513907      7.22901142    -15.33158180
  O     10.69646406      5.66513583    -15.05775099
  H     17.28585690      3.46428133    -11.15134084
  H     17.26261718      8.24163092    -14.49413104
  O     12.78318629      9.35359128     -9.93177357
  H     16.85797056      4.94832043    -11.25920215
  H     15.54613529      9.73542910    -11.63121890
  O     16.47902008      8.15466011    -15.04721444
  H     18.08428736      4.96520244    -13.08718480
  H     14.06931246      9.85087959    -11.13464130
  O     14.65639378     10.00693767    -11.88761816
  H     17.85036541      5.38887080    -14.54996830
  H     17.85211142      9.49831075    -10.60632406
  O     17.27033552      9.09327128    -11.24677116
  H     15.76570248      5.42527037    -16.41356611
  H     17.83108387      8.78653689    -11.97654570
          69
 Energy    -248.81167259948077     
  O     15.08941639      6.32725901    -13.33582985
  H     14.97948489      6.46933909    -14.28237566
  H     20.56058700      9.63485468    -16.18611504
  O     18.56339408     11.75769999    -11.97125474
  H     14.80410370      7.13548311    -12.89036924
  H     16.89849103      9.33343653    -14.60166602
  O     21.34793513      7.61035841    -13.77162987
  H     18.92212210     12.33702937    -12.66010421
  H     17.75337074      8.16148928    -15.18922402
  O     14.57207818     11.32465414    -10.66716605
  H     18.94935670     10.88397884    -12.12264920
  H     16.71574686     12.57169660    -16.63563068
  O     14.86445047      8.77863779    -11.93384386
  H     22.27687622      7.43563588    -13.64732159
  H     16.23529583     11.20432647    -17.17646176
  O     19.23248185     13.15275455    -14.23812243
  H     21.25650732      8.01759181    -14.65211506
  H     18.14101248      8.46795929    -11.38473320
  O     19.22906737      5.68523062    -14.05031932
  H     14.00272435     11.66801082     -9.98417262
  H     17.37525702      7.16882360    -11.08131929
  O     15.28181615     10.12855340    -14.30537333
  H     15.43722778     11.14728121    -10.25229589
  H     15.10694499      9.72954158    -16.04370168
  O     17.76787319      6.56527906    -16.14661883
  H     14.57072606      9.57054619    -11.46823359
  H     15.02857413      8.42921293    -16.82803450
  O     15.06121651      6.61886532    -16.21401623
  H     15.73778180      8.56300779    -11.57279640
  H     17.20534911      9.78689873     -9.95282498
  O     17.28080909      5.50619487    -11.95289509
  H     19.41047767     12.40717123    -14.82926469
  H     17.66637683     11.19204176    -10.39274351
  O     20.97799040      8.76311351    -16.20789411
  H     18.44338758     13.57018489    -14.59877888
  H     20.18202450      8.67948051    -12.75696765
  O     17.79255528      8.97967314    -14.68057002
  H     19.96627462      6.27632780    -13.85553032
  H     18.78074104      9.06802757    -13.25983341
  O     16.91667895     11.87805796    -17.27785552
  H     18.67636934      5.63782995    -13.26072642
  H     16.89555796     12.17078154    -12.56233402
  O     17.38819635      8.11409506    -10.88794308
  H     15.04217892      9.57332669    -13.55087372
  H     15.40116283     12.18238022    -12.14716469
  O     15.20914001      9.37158423    -16.93788599
  H     15.52489746     10.98365580    -13.92926171
  H     19.65401785      7.16377282    -19.05796227
  O     17.05824044     10.72929159     -9.79998691
  H     18.30115651      6.15168008    -15.44917079
  H     18.69757859      8.21645324    -18.44816947
  O     19.37829033      9.14283348    -12.49718841
  H     18.34924436      6.78750911    -16.88373577
  H     16.12694859     14.65795450    -15.20728481
  O     16.00400609     12.39756768    -12.86889481
  H     14.70351271      5.88015868    -16.70100189
  H     16.26729711     13.37925112    -14.35364897
  O     19.35883041      7.53500248    -18.23075491
  H     16.03055965      6.52232066    -16.22876783
  H     18.78913479     10.24563321    -15.50535721
  O     16.52738916     13.79159401    -15.19374549
  H     16.49530609      5.73008819    -12.48409310
  H     18.55825062     11.33430178    -16.55357289
  O     19.24239158     10.95223762    -15.98939012
  H     17.10003260      4.66613134    -11.53854954
  H     16.62299897      9.22308006    -18.15397249
  O     17.41373829      9.37220079    -18.69201147
  H     20.53824740      8.29090694    -16.92448395
  H     17.55866679     10.32027812    -18.62718032
          69
 Energy    -248.81162058776872     
  O      6.68777526     -6.17747038     -1.36664724
  H      7.14707069     -5.34744227     -1.17600996
  H      7.43214685     -6.04947588      1.67103874
  O      5.80088554    -12.20790042     -3.12036496
  H      6.44805306     -6.59232768     -0.52504436
  H     10.56589441     -8.79696283      1.71609245
  O      9.10507282     -7.59880506     -1.29544796
  H      5.43990961    -11.35314046     -2.85006958
  H     11.16577379     -9.85822255      2.67007686
  O      8.49705523     -8.83312290     -4.52400273
  H      6.02465645    -12.67013922     -2.30250927
  H      5.01512436    -10.87785481      0.91292047
  O     10.32614569     -7.17653235      1.13592611
  H      8.30876433     -7.05521007     -1.33195081
  H      6.42172089    -11.00837532      1.49878749
  O      9.18074726    -12.28498724     -1.76301471
  H      9.62668280     -7.40035624     -2.08343854
  H      5.38331391     -8.90582382     -2.76826163
  O      6.18683729     -7.49068359      1.04973584
  H      7.65321907     -8.43516427     -4.28120632
  H      6.16270483     -9.77501809     -1.75418594
  O     12.47292728     -8.62649852     -2.22715844
  H      8.38856322     -9.78695665     -4.44138199
  H      8.25314852    -12.16990295     -5.17621463
  O      7.77677094     -9.73698440      1.58965466
  H      9.96444084     -7.35782333      0.25388121
  H      7.29070088    -11.90348243     -3.99390343
  O     12.38528118     -6.23101355     -0.56389251
  H      9.69948446     -6.56557106      1.54597441
  H      9.88182904     -7.77057666     -4.07563756
  O      4.06392311     -9.26580255      0.29435443
  H      8.44383851    -12.76325046     -1.35940051
  H     11.25242003     -7.70027136     -3.32164853
  O      8.22181491     -5.50647733      1.77773023
  H      8.97611558    -12.18633040     -2.70372607
  H      8.31633435    -10.72386912     -1.38485639
  O     10.58156708     -9.74888702      1.92431368
  H      5.35560271     -7.95884691      0.90589901
  H      8.35244231     -9.16520292     -1.28388094
  O      5.69672530    -11.52610460      1.12104997
  H      6.80672404     -8.17303000      1.34604525
  H      5.69771628     -6.84531865     -4.34959435
  O      5.27900290     -9.62238280     -2.13093060
  H     12.02461106     -9.32384247     -1.71776818
  H      6.26312794     -6.93339358     -2.91311997
  O      8.18191330    -11.71740065     -4.33928750
  H     13.31598814     -8.98607562     -2.49191912
  H      9.15762768     -4.29893759     -1.22157676
  O     10.51410816     -7.17014830     -3.65148877
  H      7.76936834     -9.84574387      0.62444730
  H      8.30180695     -3.10505750     -0.74306713
  O      7.79720162     -9.94750410     -1.14865206
  H      8.70030818     -9.80033908      1.85617169
  H      6.57300051    -14.18937160     -0.32175280
  O      6.05740858     -7.45375906     -3.70872543
  H     11.81700044     -6.49677932      0.17085561
  H      6.36908582    -12.69056738     -0.01817144
  O      8.35009788     -4.05719234     -0.73207528
  H     12.51380726     -7.02709976     -1.09357136
  H     11.00751801    -10.38812656      0.15827172
  O      6.75438080    -13.31497800     -0.65754083
  H      4.39653779     -9.38297641     -0.61236521
  H     10.62319197    -11.24920220     -1.07263751
  O     11.22482064    -10.56048756     -0.76540113
  H      3.11337380     -9.21224756      0.23470962
  H     11.26306531     -5.12727483     -1.53420938
  O     10.56653788     -4.77754872     -2.10941977
  H      8.26619831     -4.93682134      0.99916820
  H     10.51926750     -5.40543904     -2.84036323
          69
 Energy    -248.81159235562194     
  O     12.10012840     10.17502704    -15.61715523
  H     11.91545534      9.22208717    -15.57707452
  H     19.81722348      6.80734550    -14.64159819
  O     15.30712069      6.35537548    -12.43097185
  H     12.93997089     10.24366749    -16.07950173
  H     14.78288821      9.11777217    -15.78730675
  O     17.62485689     10.27256520    -11.84614577
  H     16.17201621      6.70811059    -12.17868058
  H     15.50050083     10.30472084    -16.46092185
  O     16.69200999     11.51379248    -15.65164233
  H     14.64115249      6.75168908    -11.85139554
  H     14.87748529      7.63167355    -13.69073746
  O     11.98544693      7.49763434    -15.08068637
  H     17.57958170     10.53092947    -10.91775455
  H     13.59894598      8.08803838    -14.44424813
  O     14.63656346     10.50553269     -8.83242236
  H     16.77985955     10.50454370    -12.25807794
  H     11.51398012     10.45789981    -13.96109325
  O     13.47417084      7.70656308    -10.86364948
  H     17.43624277     10.98936419    -15.30366078
  H     10.35565418     11.00021100    -13.09823895
  O     15.30523569     10.80001306    -13.26769644
  H     17.05938858     12.33167452    -15.97526183
  H     17.38383342      8.76725945     -9.03876471
  O     17.05108117      6.05189620    -15.85286128
  H     12.33196447      6.68307892    -15.46983838
  H     17.47935921      7.55347152     -9.98563161
  O     14.59930936      7.67906593     -8.30744655
  H     11.59817467      7.31673152    -14.21252800
  H     11.01627011      8.56907141    -12.59196459
  O     15.27025487      4.42691492    -14.35085846
  H     14.11313293     10.61157119     -9.63839511
  H     11.85059792      7.50864175    -11.84995486
  O     18.99351433      7.22288563    -14.39993228
  H     14.49683533      9.59728989     -8.53743006
  H     18.79819008      9.11413698    -14.54166843
  O     14.85684206      9.60488737    -16.62412054
  H     13.47263460      8.65526178    -11.05381622
  H     18.47243721     10.21701041    -13.51970272
  O     14.50033483      8.34996578    -14.20941708
  H     13.75439508      7.60936309     -9.94484707
  H     17.69513113      8.47046555    -11.84960908
  O     11.15694938     10.48412840    -13.05638260
  H     14.99117686      9.92916341    -13.56058743
  H     18.26336532      7.29875368    -12.67490926
  O     17.19459714      7.82249673     -9.10359021
  H     15.67538656     11.22792494    -14.04791337
  H     17.68674550     11.30644776     -8.46608533
  O     11.12617068      7.61647474    -12.47922681
  H     16.49898967      5.41163211    -15.38718595
  H     16.35382277     10.71322260     -8.98497010
  O     18.64281409     10.06238658    -14.45901608
  H     16.49825726      6.42884331    -16.54723204
  H     15.23316528      7.13688473    -18.71576810
  O     17.75746339      7.50390513    -11.87896169
  H     15.53886483      7.64557234     -8.56283946
  H     15.07836417      8.04195578    -17.47431406
  O     17.32095674     10.69898110     -9.10299187
  H     14.51053198      7.16798746     -7.50786602
  H     12.53702445     10.56463556    -11.83190015
  O     15.21768337      7.12473582    -17.76182928
  H     15.24559858      5.05009100    -13.60428511
  H     14.06241313     10.74319437    -11.95897095
  O     13.36413427     10.49028065    -11.33868201
  H     15.30034638      3.55003477    -13.97729684
  H     13.96772330      5.96831026    -16.82794265
  O     13.39158719      5.45638028    -16.24690650
  H     18.30256561      6.81345187    -14.95094004
  H     13.97499918      5.01399202    -15.61828814
          69
 Energy    -248.81154424615471     
  O     12.31107528     11.25746423    -14.72137682
  H     13.03103943     11.89292790    -14.63772633
  H     20.45297895      9.01022490    -13.60226480
  O     15.76366558      6.72798015    -13.32151580
  H     12.60153081     10.61478581    -15.38388619
  H     15.79193227     11.25932399    -17.25161303
  O     17.44613536     10.10410767    -11.14407991
  H     15.61622328      7.61325167    -13.69211830
  H     16.88453952     11.17772163    -16.19144111
  O     17.78412568      9.60041956    -15.70729233
  H     15.08365541      6.61702772    -12.64479236
  H     16.22965407      9.38885673    -14.81594016
  O     12.62257818      6.64086783    -16.08942910
  H     17.28134724     10.05915835    -10.19376485
  H     14.68830300      9.26417208    -15.04504327
  O     14.31060378      8.89236165     -8.44991480
  H     16.69964601     10.57585814    -11.53348234
  H     10.26816487     10.12264016    -12.61716014
  O     13.73180652      6.84571239    -11.43025593
  H     17.64622372      8.92180597    -16.37883132
  H     11.55109002     10.37045245    -13.44582827
  O     15.15713605     11.11407675    -12.43626820
  H     18.50281643      9.29823138    -15.13292428
  H     17.71378536      7.04043584    -10.23892827
  O     16.94308857      7.67817419    -17.64044980
  H     11.95069774      6.08848428    -16.47918120
  H     17.36060086      7.82726729     -8.96102604
  O     14.81333275      6.09860220     -8.96690264
  H     12.36110014      6.78589725    -15.16079304
  H     11.58422301      8.03874728    -13.31651328
  O     15.42857513      6.14032382    -16.03483054
  H     14.34762664      7.93052098     -8.51944957
  H     12.49457212      6.90000562    -12.81578481
  O     19.70380141      8.59581332    -14.02399760
  H     13.88213882      9.20544930     -9.25859392
  H     17.84700879      8.49941212    -11.74569046
  O     16.17559895     11.74963355    -16.51733460
  H     14.02868007      6.46330201    -10.59559323
  H     17.31545844      7.21157114    -12.46550464
  O     15.38411056      9.21529855    -14.37854014
  H     13.65656948      7.80001775    -11.28289995
  H     15.97353775      9.42761271     -8.36566519
  O     11.15741724      9.80762506    -12.75489546
  H     15.00412543     11.89786046    -12.97389712
  H     17.14616125     10.06889619     -7.58762910
  O     17.36118882      6.94146141     -9.34530433
  H     15.22769160     10.38801607    -13.07779746
  H     15.86368465      9.01274348    -18.24136160
  O     11.92674304      7.16778283    -13.55037330
  H     17.58024403      7.11375182    -18.07028391
  H     15.21052520      9.80164989    -19.39846898
  O     18.08250112      7.59614779    -12.02001420
  H     16.40412770      7.10365154    -17.06565524
  H     12.51771080      9.69628813    -11.48660272
  O     16.92811573      9.61691839     -8.39786755
  H     14.79905991      5.33826177     -8.39262020
  H     13.98247479     10.18440457    -11.40894788
  O     15.24969182      9.73611650    -18.44736054
  H     15.75037048      6.32617414     -9.10884853
  H     14.70478477     13.87432328    -14.67686674
  O     13.34052873      9.59215018    -10.99293586
  H     14.46889612      6.21282087    -16.10124874
  H     15.19507994     12.53219423    -15.25872205
  O     14.64190335     12.92944730    -14.56381774
  H     15.62699271      6.17034176    -15.08871298
  H     13.08506186      8.39450087    -16.38760525
  O     13.39703119      9.30906428    -16.38422593
  H     19.20910588      8.16245330    -13.30974506
  H     13.93055328      9.44772677    -17.17604824
          69
 Energy    -248.81141218332132     
  O     13.51579123      7.04492067    -14.06734415
  H     14.29752437      7.61611414    -14.04060576
  H     17.60142692      4.65778548    -16.09910253
  O     17.93317871     11.21761689    -11.90064037
  H     13.63292521      6.43083207    -14.80542406
  H     15.46312345     11.14008995    -16.24579309
  O     16.66185703      7.78526698    -17.42572355
  H     18.26538532     11.04461505    -12.78817376
  H     14.88049451     12.40162910    -16.92462980
  O     11.86344301      9.26742668    -14.03372697
  H     16.96976658     11.11406356    -11.93490787
  H     15.61735059      9.26642622    -13.15889766
  O     16.28862828      7.65973652     -9.72979499
  H     15.75533565      7.71272161    -17.75236233
  H     16.07822654      9.06722269    -14.62594891
  O     13.45450705      6.12826602    -11.51122542
  H     16.84732406      6.95588644    -16.96947370
  H     19.15960490      8.31563800    -11.90876936
  O     15.24578159     10.59563202    -11.99353570
  H     12.37245612      8.44298550    -14.05663697
  H     18.70421151      7.33194647    -13.00682140
  O     13.92021162      7.53785166    -18.13925300
  H     11.46248287      9.30534040    -13.15780626
  H     10.25332529      5.79238454    -11.30381659
  O     16.09824511      5.28393333    -10.96584872
  H     17.05268190      8.22769406     -9.89351858
  H     11.70484498      6.25730976    -11.09822515
  O     16.82243952     10.06351979    -15.97675765
  H     15.49776584      8.20413957     -9.80980842
  H     19.98439302     10.55054786    -14.61322983
  O     14.11379331      5.46587393    -16.21466077
  H     14.29414269      5.69413162    -11.32640788
  H     19.22269393      9.42797494    -13.87396338
  O     16.97314562      5.35728185    -15.93804961
  H     13.45441266      6.37394760    -12.45062562
  H     16.68939575      7.12346267    -13.48463485
  O     14.65172567     11.66264199    -16.36710604
  H     14.72802789     10.03259058    -11.40439412
  H     16.83029288      5.86466192    -12.57612860
  O     15.77154538      8.59902699    -13.84008568
  H     14.62313355     11.06007763    -12.57518109
  H     18.38179663      9.95834640    -10.80358264
  O     19.33755114      8.03507556    -12.81521869
  H     13.47845721      8.24601252    -17.63746814
  H     19.21776923      9.45338902     -9.60386326
  O     10.77748904      6.51801578    -10.97379116
  H     13.50777778      7.51558031    -18.99856626
  H     13.36089163     10.31839906    -16.66429276
  O     19.10851124     10.24783281    -14.38679254
  H     16.21254950      6.11348713    -10.46461948
  H     12.31982216      9.48065861    -15.88997247
  O     17.18037447      6.29441397    -13.36548731
  H     16.39400844      4.57547435    -10.40073979
  H     12.84474345      9.09905225    -10.65866660
  O     18.60970357      9.16821761    -10.28095836
  H     17.66342296     10.16027820    -15.51226617
  H     13.71007887      7.85133671    -10.84187803
  O     12.77893719      9.55125051    -16.73523756
  H     16.86725144      9.28727717    -16.55861411
  H     13.85757416     11.74492480    -14.64841520
  O     13.74136913      8.76717385    -10.53103273
  H     13.99327214      6.09163716    -16.94158861
  H     12.87418993     10.83670537    -13.88195001
  O     13.46825190     11.59250173    -13.77897882
  H     15.06403414      5.30813143    -16.15486712
  H     10.82786567      8.27739179    -11.15519993
  O     11.01735226      9.22172406    -11.29439203
  H     17.09135774      5.63071583    -15.01329148
  H     10.32133452      9.71100142    -10.86302929
          69
 Energy    -248.81136848688351     
  O     11.44247711      9.53757470     -9.36779494
  H     11.24741509      8.59297510     -9.40496891
  H     18.35414280      7.88257814    -16.88762783
  O     13.53321491      5.85656083    -15.64990182
  H     10.98272680      9.92969721    -10.12117719
  H     15.36593179     12.57811649    -13.69713856
  O     18.63354474      8.91050220    -11.14995375
  H     13.02442505      5.26230249    -16.19396960
  H     15.74944914     11.20455733    -13.10265508
  O     16.41306632     10.55261706    -16.25180387
  H     14.26911726      5.33839112    -15.27398525
  H     16.19086391      7.21856982    -13.09185739
  O     12.89872080     10.25947928    -13.13877536
  H     18.55798262      7.98555754    -10.88795064
  H     16.24466646      8.76857735    -12.95194982
  O     15.91956459      5.74252830    -12.04121155
  H     18.97863610      8.89404018    -12.05395290
  H     10.45506242      6.07933966     -9.56789559
  O     12.68649460      7.53155677    -13.57117378
  H     15.91293591      9.73199471    -16.36772227
  H     10.63074522      7.00384983    -10.79770999
  O     16.31927741     10.19980089    -11.77353191
  H     16.04284950     10.97515083    -15.46868161
  H     19.50085417      6.76449853    -13.56066161
  O     15.61023644      4.56426497    -14.53842546
  H     13.64413678     10.72340344    -13.53630474
  H     19.07444660      5.36569441    -14.03865438
  O     18.97852594      9.67755297    -16.47770287
  H     12.89507654      9.34320677    -13.45505530
  H     10.06500946      8.65311654    -12.22948575
  O     15.31001021      7.99785084    -16.14324528
  H     15.15477010      6.04505321    -11.53228828
  H     10.93185976      7.57646031    -12.90332372
  O     17.83832605      7.07201094    -16.96044772
  H     16.70741427      5.79347761    -11.48507898
  H     19.19481405      8.98009506    -14.75195301
  O     15.28804141     11.63770932    -13.84196800
  H     13.08734184      7.20576993    -12.75412350
  H     18.11170414      8.31279613    -13.88084387
  O     16.30260440      8.04187347    -13.58483894
  H     12.94415104      6.93934187    -14.28773901
  H     18.63927469      4.12002773    -16.20371457
  O     11.03536826      6.72883237     -9.95527352
  H     15.60385452     10.02831145    -11.14644188
  H     18.13195414      5.57838902    -16.12673916
  O     19.46015083      5.83630735    -13.29047375
  H     17.14514178      9.83710608    -11.41993107
  H     18.83973839      5.89514172    -11.67634763
  O     10.15648766      7.69830583    -12.33806310
  H     15.71723516      4.84092823    -13.61767174
  H     18.91241361      5.53755945    -10.17139732
  O     19.05628237      8.52752520    -13.91259706
  H     16.49520824      4.55839538    -14.92242250
  H     12.81406757      6.68975376    -10.55194253
  O     18.23049457      4.75289954    -15.61892729
  H     19.48738946     10.23816629    -17.05655526
  H     13.84661883      7.82120794    -10.76837515
  O     18.41267636      6.03801642    -10.81071540
  H     18.08832466     10.06900561    -16.41890981
  H     13.14924785      9.68959970     -9.97162144
  O     13.65516895      6.89604627    -10.97823515
  H     14.62613407      7.32058197    -16.15840849
  H     13.57346192      9.90926001    -11.43920676
  O     13.90847187      9.64568864    -10.57016579
  H     15.63969743      8.02335168    -15.22926338
  H     11.27759661     10.52887332    -12.39192168
  O     10.43582203     10.50960120    -11.90676899
  H     16.92120862      7.33577344    -16.80443802
  H      9.94989644     11.28735254    -12.16936037
          69
 Energy    -248.81126039954205     
  O     14.37647216      2.35520052    -15.80454415
  H     15.29675748      2.24796158    -16.10952565
  H     20.37635980      5.53904170    -13.96393507
  O     17.52252837      6.61249259    -11.90493534
  H     13.93856882      1.52099940    -15.95038846
  H     17.02202160      6.81579141    -16.80613578
  O     19.64941663      6.02020733    -17.09926988
  H     17.01110278      7.09398473    -12.57129802
  H     17.27769815      8.32734912    -16.97663978
  O     18.39904642      3.83277678    -18.52092788
  H     17.27620194      5.67853009    -11.97538347
  H     15.73055578      5.27062548    -16.10246121
  O     13.11247427      6.73133090    -10.73734350
  H     19.40785051      5.20309853    -17.55336430
  H     16.99487534      4.89216888    -15.24976501
  O     14.26276317      3.83894312    -13.37212340
  H     18.92430119      6.62648154    -17.30685964
  H     12.71878610      6.49727941    -15.07548666
  O     16.06600989      7.75905206    -13.95936412
  H     17.63859899      4.37677447    -18.79343118
  H     11.70741624      6.99853723    -16.12143112
  O     17.97244611      3.54116886    -14.42991153
  H     18.76233927      3.45562558    -19.31871031
  H     14.75659319      3.67590540     -9.80389327
  O     13.27301916      3.86096026    -10.72944133
  H     14.01388522      6.74348392    -10.36818921
  H     15.65516023      3.08035320     -8.69150023
  O     19.87361417      8.29167734    -15.24716177
  H     12.58492530      7.31086253    -10.19430346
  H     14.19817603      3.90996524    -16.80758600
  O     16.94771768      2.24601579    -16.59636444
  H     14.02757332      4.75680215    -13.56316990
  H     13.59102095      5.34613429    -16.84234059
  O     20.35452926      4.83002554    -14.61725908
  H     14.25479715      3.34074961    -14.19761220
  H     20.68900809      7.16551939    -11.99799448
  O     17.29269029      7.48982418    -17.45114350
  H     16.46497609      8.50530858    -14.42142122
  H     19.22296865      6.87006153    -12.38671648
  O     16.45835407      5.62525943    -15.57447600
  H     16.21489560      6.97779801    -14.51935418
  H     16.47825555      3.75188775    -11.09948671
  O     12.38682516      6.34557351    -15.97429259
  H     17.65185984      3.56373136    -13.52059108
  H     15.84606332      3.90004670    -12.50671262
  O     15.64719103      3.70705012     -9.40939743
  H     18.86938809      3.90676246    -14.44671499
  H     16.35132922      6.71502791    -10.39404635
  O     14.32178644      4.79837574    -17.16410850
  H     13.04215596      4.79709747    -10.68263569
  H     15.73117032      5.63049047     -9.49082620
  O     20.11748031      6.99717453    -12.74305251
  H     13.48769758      3.69493243    -11.65768237
  H     16.56229873      6.29328768    -18.75338169
  O     16.68261462      3.95440515    -12.01957986
  H     20.00247235      7.57353650    -15.87668035
  H     15.50287731      5.18929513    -18.56625880
  O     15.64240763      6.55406307     -9.75884326
  H     20.01548126      7.91103731    -14.37058204
  H     14.40477160      7.10925677    -13.63016194
  O     16.27231047      5.43788235    -19.09692592
  H     17.41651908      2.68903913    -17.31189349
  H     13.34590408      6.69361305    -12.56904479
  O     13.59533018      6.59575999    -13.49650971
  H     17.38054795      2.55214794    -15.78422877
  H     18.39703332      9.19540585    -15.41000825
  O     17.51688025      9.59721574    -15.53141453
  H     20.20441958      5.24865047    -15.47612690
  H     17.65321975     10.53580948    -15.62562377
          69
 Energy    -248.81083637917516     
  O     -8.56069126     -2.43288062      5.65007025
  H     -7.74589383     -2.18204587      6.10061434
  H     -6.68529380     -0.79626083      3.38883962
  O     -8.50429875     -3.55193599      3.17406708
  H     -9.07286081     -1.62304442      5.52332121
  H     -5.66441845     -2.16680393      7.62272308
  O     -5.10078746      0.70280199      0.82586682
  H     -8.57146804     -3.19373703      4.07648126
  H     -5.36926903     -1.65666427      6.19306164
  O     -6.57727423      0.98039205      6.20936299
  H     -8.88032297     -4.42789278      3.20160527
  H     -1.88715765      3.14552813      3.00765361
  O     -4.51292569      5.19575055      1.59398337
  H     -5.94571845      1.14804127      0.98912318
  H     -0.56762136      2.44759648      2.59573650
  O    -10.66208094     -0.11935564      0.47833934
  H     -5.32001171     -0.16135949      0.45779548
  H     -9.16880321      3.39739679      4.86854675
  O     -9.65357463      0.03004001      4.79137823
  H     -6.36916122      0.16576907      6.68182690
  H     -8.33611997      4.03903557      3.73981558
  O     -4.29838739     -1.58573727      4.82660056
  H     -6.70476564      0.70301970      5.28656822
  H    -10.15252358      1.01871022      3.24180208
  O     -3.45339513      2.96165395      0.46456366
  H     -4.45885104      5.93551265      0.99520369
  H     -9.95369108      2.51583430      2.94642129
  O     -6.01772111     -1.83054053      0.05015297
  H     -4.16488720      4.42090834      1.11680118
  H     -5.84554402     -2.31879289      1.85197446
  O     -3.62825957      0.68057187      3.23464364
  H    -11.38882425      0.14292353     -0.08100704
  H     -6.77638039     -2.95774164      2.91669248
  O     -7.10889985      0.01513493      3.69000497
  H    -10.58063119      0.57389939      1.15145755
  H     -8.75442516     -2.44984200      1.55367568
  O     -6.03684025     -1.66334271      6.90387534
  H     -9.59119959      0.76561781      5.41418760
  H     -9.34511004     -1.35411202      0.61977091
  O     -1.51508350      2.39738744      2.50651535
  H     -8.78127495     -0.04240410      4.36971704
  H     -8.09945576      1.87747352      6.45863540
  O     -9.23755054      3.80475067      3.99644590
  H     -3.94902150     -0.79818372      4.39160701
  H     -9.19886435      2.54120771      7.32093614
  O    -10.13963207      1.66429754      2.52295525
  H     -4.77696703     -2.05864293      4.13025927
  H     -3.49000932      3.89333662      4.34059330
  O     -5.95851781     -2.45584801      2.80048812
  H     -4.00467068      2.16813900      0.44290978
  H     -3.37264944      4.82502387      3.12008012
  O     -8.60675675     -1.96809112      0.73287529
  H     -2.69161484      2.73931381      1.01387664
  H     -4.41793277      1.93826685      4.28292777
  O     -8.98786926      2.27082744      6.43074080
  H     -5.86565803     -2.35923654     -0.72804266
  H     -5.32811930      2.17797580      5.50795343
  O     -2.85249781      4.38267651      3.80254572
  H     -6.97978629     -1.84090424      0.21584475
  H     -7.16192785      2.66592515      2.10364237
  O     -4.81108203      2.63263031      4.83303260
  H     -2.80614027      1.13354273      3.00764239
  H     -8.40223147      1.79124652      1.76165511
  O     -7.44792068      1.86418995      1.64088062
  H     -4.14660894      0.62096332      2.42010208
  H     -5.97637630      3.55696360      3.77608131
  O     -6.53657924      4.01070453      3.13033474
  H     -7.17532608      0.61683302      2.93819212
  H     -5.94316860      4.53512417      2.57821549
          69
 Energy    -248.80993956903998     
  O     13.38688261      3.93254966    -11.66593977
  H     14.30809094      3.92542275    -11.95609190
  H     13.17752560     11.18885376    -13.47758161
  O     15.82446892      9.04974598    -15.37084874
  H     13.36635562      4.42816913    -10.83849142
  H     12.52894051      9.24950669    -14.83154612
  O     18.50627626      8.48527456    -12.41792928
  H     15.79501940      8.09458110    -15.26583279
  H     13.59283719      9.11849121    -13.70454774
  O     15.66826891     11.00805371     -9.64508470
  H     14.92375087      9.35943827    -15.20316222
  H     17.10244431      8.61726273    -11.33179820
  O     11.26940828      8.09407249    -15.44332084
  H     18.46989939      7.78620446    -13.09061489
  H     16.16658029      9.39236111    -10.32558766
  O     18.86960628      4.16097024    -12.70210228
  H     18.34683096      9.30850565    -12.89480077
  H     14.97430613      8.27478248    -11.96055610
  O     12.82114983      5.88268175    -15.46876860
  H     15.81855984     11.45767916    -10.49766539
  H     13.50712980      7.78680162    -11.91676386
  O     16.14829856      5.94426100    -10.05722779
  H     16.01962224     11.57538535     -8.96485613
  H     10.89437201      3.68761545    -13.53795314
  O     12.94019959     10.38800165    -10.39865858
  H     10.67543692      8.09615839    -16.18868732
  H     12.13582111      4.23891199    -12.79997981
  O     18.26096379      6.47347948    -14.27633691
  H     11.83202821      7.30267136    -15.53378027
  H     15.61165097      5.50479032    -13.74329871
  O     15.94530691     12.04607752    -12.11017832
  H     18.98621503      4.79911628    -11.97482683
  H     14.96601387      6.89591863    -13.69402973
  O     13.20440594     11.92867615    -12.84698625
  H     19.59778845      3.54832829    -12.65174622
  H     16.97618288     10.06884420    -14.51880740
  O     13.26442366      9.70648107    -14.40452802
  H     12.38000608      5.30748124    -14.82898203
  H     18.11239370     11.10804039    -14.63546206
  O     16.29316670      8.56435558    -10.80319419
  H     13.74436239      5.93364323    -15.19489385
  H     18.05604965      6.00322821    -10.34423593
  O     14.23734250      7.98389975    -12.51520838
  H     15.27632190      5.77576077     -9.68123899
  H     18.93375925      6.95902518    -11.18392678
  O     11.44293148      4.46209252    -13.44712364
  H     16.17145964      6.89260393    -10.25931907
  H     10.76705271      7.56966812    -13.61791804
  O     15.40099431      6.27090350    -14.29611053
  H     13.79694808     10.57308097     -9.99618884
  H     10.85892926      6.19293528    -12.94866486
  O     17.56521496     10.64746610    -14.00353991
  H     12.91283173     10.93428914    -11.19283933
  H     16.98330026      4.09602151    -12.53640291
  O     18.91805502      6.08629774    -10.77317379
  H     17.30792227      6.39141430    -14.40231365
  H     16.10798930      4.93426080    -11.57972924
  O     10.68577059      7.12622141    -12.76660381
  H     18.54896287      5.63426357    -13.89597606
  H     12.97412767      6.38516305     -9.74495503
  O     16.07481184      4.37323313    -12.37000968
  H     16.48855461     11.60540003    -12.77470330
  H     12.99900681      5.44200828     -8.52011777
  O     13.42507914      5.61530856     -9.35562837
  H     15.04321641     12.08199819    -12.45377799
  H     12.37279814      8.67290541    -10.46606445
  O     12.23142055      7.72285788    -10.59365174
  H     12.60809560     12.59582842    -13.17705481
  H     11.56408008      7.58456957    -11.28334675
          69
 Energy    -248.80991714466359     
  O     -1.42892870     11.85032074      0.71932187
  H     -0.76116318     12.24923127      0.13791156
  H     -3.40202941     12.41012209     -2.68195559
  O      0.69686901     15.06063383      0.97358242
  H     -2.16940251     12.47145964      0.73753647
  H     -0.41760594      7.80926038      1.35193597
  O      0.72356543     13.95443764     -3.43031324
  H      0.88537729     14.71856039      1.85628358
  H     -1.41222784      6.69458910      0.94867555
  O     -1.54901787     15.21861467     -2.61841853
  H      0.66788587     14.29838934      0.37482597
  H     -3.22908211     10.03378535     -3.56704109
  O      3.13147645     10.87443608      1.31191072
  H      0.41424403     13.11830371     -3.81209462
  H     -2.37318141     10.31467160     -2.31288624
  O      0.61595964      8.52053848      2.55322854
  H     -0.04830809     14.52166665     -3.28540498
  H      1.51295651      8.04627680     -1.46128314
  O      3.19123566      8.07724143      1.35833597
  H     -1.57038850     15.62741936     -1.74479261
  H      0.76229367      7.24522976     -0.38260614
  O     -1.46709234      9.67750812     -0.93991360
  H     -2.28456660     14.59444340     -2.63371360
  H      1.64358037     10.19769735     -2.06871248
  O      0.50485383     12.96246756     -0.81553741
  H      3.28765446      9.92261445      1.35536190
  H      0.18072040      9.68175231     -1.87923830
  O      3.32968449     13.90055111     -2.57296366
  H      2.25604448     11.02757415      1.69615309
  H      0.29254502     10.78074921     -3.73868884
  O      0.62167207     11.33733533      2.50958426
  H      0.57182949      9.47706145      2.68351003
  H     -1.13191399     11.30540161     -3.93808154
  O     -3.68907223     13.31080575     -2.46725661
  H      1.52877294      8.32546925      2.30772654
  H      2.53711388     15.26037287      0.30023934
  O     -0.90043753      7.41939033      0.60023470
  H      2.70950528      7.80975164      0.55506764
  H      3.42596225     14.72831899     -0.84326770
  O     -2.81023640     10.73505225     -3.07319956
  H      3.86151747      7.41693280      1.51121005
  H      1.54255881     14.23307107      4.30492351
  O      1.63717290      7.39064700     -0.76259051
  H     -1.36724116      8.85652882     -0.44231324
  H      2.38364586     13.74165571      3.09934100
  O      0.97725993      9.58678388     -2.41977126
  H     -1.51087992     10.39985086     -0.29547544
  H     -1.76040730     17.05700823      0.38505962
  O     -0.21444309     11.48063818     -4.17142844
  H      1.26878738     12.37665560     -0.88824369
  H     -0.80042130     15.84841884      0.45392723
  O      3.44737852     15.04033637      0.06877799
  H      0.39150688     13.35276800     -1.69043315
  H      3.15368528     12.20530150     -1.72225099
  O      1.47319900     13.86961754      3.42661055
  H      2.42977329     13.98460317     -2.93336993
  H      3.04492864     11.28098214     -0.44187858
  O     -1.64639332     16.15767075      0.08832989
  H      3.92825972     14.15718510     -3.26996548
  H      3.82223566     12.51408219      1.96506682
  O      2.74131911     11.41582020     -1.35096500
  H      0.83344552     12.17032851      2.94818740
  H      3.86971567     13.99490279      1.50571146
  O      3.86799878     13.42271819      2.28801101
  H     -0.16243138     11.49835336      1.96550379
  H     -2.81885498     14.65440564      0.33665316
  O     -3.30035160     13.81750517      0.33897153
  H     -4.50909768     13.45390728     -2.93533010
  H     -3.53413913     13.64964505     -0.58246230
          69
 Energy    -248.80969765217901     
  O     17.04637372      9.85677016    -15.53932603
  H     17.37840245     10.59826031    -16.03898957
  H     17.11323256      6.69801118    -10.68906528
  O     15.54356616      6.12638168    -11.67401937
  H     17.20911804     10.05450199    -14.60066768
  H     12.81339365      7.05287146     -7.64533143
  O     11.51221006      8.52351941    -12.35611353
  H     15.59108568      6.05730710    -12.63859699
  H     13.39684099      8.05466624     -8.66894057
  O     12.74327205     11.56350243     -9.35843549
  H     14.60630288      6.07032476    -11.43997116
  H     15.26442987     12.19493518    -11.29718494
  O     19.37985511      8.01242007    -12.61838835
  H     12.10913893      9.19452312    -12.71629174
  H     13.79656555     12.16485074    -10.82862135
  O     12.42341353      7.06481663    -16.25950920
  H     11.03664173      8.12273133    -13.09395136
  H     15.42729195      7.91371101    -11.72847535
  O     15.50407979      6.26984971    -14.44837059
  H     12.07089213     10.88066241     -9.53310178
  H     16.11663242      9.26019111    -12.09859836
  O     13.49270913     10.24916226    -13.19854312
  H     12.35590832     12.17398250     -8.73661977
  H     11.17481093      5.57252114    -13.67006757
  O     17.28718251      9.65395833     -9.07538036
  H     20.31900478      7.86376057    -12.68817390
  H     12.12740086      5.24384970    -12.50279594
  O     13.52486284      4.54977364    -15.39508143
  H     18.97551163      7.65012771    -13.42727230
  H     17.26750023      6.75971003    -14.75960337
  O     14.49684548      9.37465041     -9.13435822
  H     13.12052680      7.70618940    -16.06544670
  H     17.82955645      8.08754417    -15.29090955
  O     17.84462018      7.22016974    -10.33681240
  H     12.81969817      6.19250270    -16.14404370
  H     11.42466132      8.72627060     -9.25050917
  O     12.69160964      7.39979082     -8.52515746
  H     15.11252668      7.12373046    -14.68016624
  H     11.08352020      9.16565096    -10.68496761
  O     14.35923668     12.33940977    -11.59443014
  H     14.92120387      5.59095434    -14.81093433
  H     12.41671255      7.11672354    -11.58754162
  O     15.30414130      8.87111775    -11.75412954
  H     14.09186455      9.67029915    -12.69705391
  H     12.72140268      6.53613118    -10.19232348
  O     11.79068044      4.90517424    -13.34244917
  H     13.66476169     11.12598272    -12.83267389
  H     11.06041955      7.15493964    -15.18068835
  O     18.08931779      7.25558981    -14.87723661
  H     17.55187898      8.80058028     -9.44956018
  H      9.53061164      7.17784522    -14.94215971
  O     11.07065362      9.46180448     -9.76369140
  H     16.35700836      9.55124621     -8.83719177
  H     17.61142110     12.54913539    -10.30888819
  O     12.80479467      6.35277082    -11.13576678
  H     13.47596655      3.66254702    -15.73954277
  H     17.22796414     11.06901726    -10.07618701
  O     10.37019187      7.12739443    -14.49368902
  H     12.91497914      4.59328514    -14.63617758
  H     14.05154353      9.33547864    -14.66575492
  O     17.14320841     11.81515425    -10.69796983
  H     14.78182107      9.22649284    -10.04935809
  H     15.31301493      9.15544906    -15.54129957
  O     14.46657053      8.75075273    -15.31563781
  H     13.97486455     10.18701210     -9.13153929
  H     17.54341711     10.81154352    -12.16310169
  O     17.58193135     10.14715687    -12.86384669
  H     18.43071598      7.38830649    -11.08457069
  H     18.28796450      9.51752413    -12.66237566
          69
 Energy    -248.80945861884641     
  O     17.48004379      8.44781406    -12.96613656
  H     17.90308616      8.45106636    -12.09634515
  H     16.36280569      7.45841704     -6.51602787
  O     11.87781321     11.01477343    -11.17380633
  H     16.66923829      8.98056311    -12.89797525
  H     14.38220863      9.55100893    -11.44536847
  O     11.09076786      9.17866100    -13.22828222
  H     12.60460544     10.45365445    -10.85609251
  H     13.77673343      8.39813547    -10.60875151
  O     15.89207451      6.12667197    -12.57068802
  H     11.43776250     11.35896851    -10.40058662
  H     18.82164832      7.36318552     -9.64814946
  O     18.71108042      9.00196948    -10.52442502
  H     11.35895169      9.63450307    -14.03516733
  H     17.98468965      6.87623195     -8.45719715
  O     16.37824938      9.75802862     -9.22993452
  H     11.25156665      9.79794828    -12.50657066
  H     15.97170259     12.64533591    -12.18185620
  O     11.59820336      6.54910641    -12.91810032
  H     16.36105636      5.54561407    -11.95733779
  H     16.25556359     12.68156880    -13.71573171
  O     17.15821289      9.70777714    -15.59826918
  H     16.49127123      6.85517554    -12.77537899
  H     17.65180426      3.84675683    -10.52115211
  O     13.92524797      6.58211379    -14.59608015
  H     17.91047798      9.30769070    -10.06768304
  H     17.76405106      5.32361385    -10.07246268
  O     14.42514879      9.11733578    -15.48549860
  H     19.11776624      9.77536640    -10.92568357
  H     15.29314833     10.86649755    -12.98131728
  O     12.10011300     10.69373163    -15.42669292
  H     15.51453431      9.64142178     -9.64992816
  H     14.83109370      9.62494310    -13.80394379
  O     16.48243017      7.56938231     -7.45542075
  H     16.41723369      9.10836430     -8.51604223
  H     18.47078612     10.17954381    -12.83639908
  O     13.97478932      9.34388891    -10.58787870
  H     10.79264482      6.05620998    -13.04726807
  H     18.64561082     11.61296068    -13.32102659
  O     18.57329563      6.56844976     -9.15762509
  H     11.37467507      7.49091125    -13.02979954
  H     18.06534576     12.78022034    -15.59269678
  O     15.55111903     12.66681519    -13.05596550
  H     16.21873968      9.51503147    -15.73359677
  H     17.51231386     11.38766723    -15.20642986
  O     17.19603790      4.68413166    -10.53869828
  H     17.44889449      9.09079022    -14.91862052
  H     14.40507931      6.48608014    -11.55292312
  O     15.16496275      9.90984264    -12.94270521
  H     13.10210879      6.49275539    -14.10076152
  H     12.85523186      6.53118880    -11.56839698
  O     18.83787328     11.03243539    -12.57381990
  H     14.62525331      6.27850393    -14.00472196
  H     17.67132952     11.81439814    -11.28358347
  O     17.70733708     12.27884561    -14.86501561
  H     13.60360881      9.61024793    -15.59886239
  H     16.73591871     11.47811254    -10.10290315
  O     13.62594706      6.63601076    -10.99694000
  H     14.20629075      8.19420927    -15.28163270
  H     12.48261713     12.07594922    -12.65686256
  O     16.94082295     12.15983318    -10.75255674
  H     11.58451309     11.12349358    -16.10371201
  H     13.72885634     12.66761281    -13.35637194
  O     12.79795016     12.44407492    -13.49128800
  H     12.35877499     11.38372613    -14.78823435
  H     14.43741312      5.97511328     -9.46973126
  O     15.09827532      5.68168480     -8.82804197
  H     15.91936627      6.90446125     -7.89168682
  H     15.75044687      5.18945825     -9.34124624
          69
 Energy    -248.80856056506906     
  O     -3.15606358      3.81568570      4.12029669
  H     -2.76077851      4.23242535      3.34374243
  H     -1.35479171      2.81548957     -1.49860038
  O      0.79408690      1.58007195      0.66397570
  H     -2.49076721      3.16259612      4.38060072
  H     -2.23270618      4.14441601     -0.01562310
  O     -1.51678295     -0.28284834      3.29623313
  H      0.36732816      1.85009958     -0.15721328
  H     -3.49976397      3.66321726     -0.74843571
  O     -4.36772205      0.31545989     -0.28990367
  H      0.59689876      0.64000641      0.76869086
  H     -4.70051770      3.30167100      3.19375610
  O     -2.54144226     -3.05300569     -1.11821710
  H     -2.16776580     -0.93987947      3.57427803
  H     -5.67476597      2.09766431      2.91230388
  O     -0.21541304     -1.02687558      0.98359782
  H     -2.00275115      0.37608334      2.77250399
  H     -0.77455181      3.93757504      2.08710239
  O     -4.84514888     -0.39572477      5.86843005
  H     -4.67487410      1.20894940     -0.48637573
  H     -2.01744838      3.12127233      1.69468924
  O     -6.18550350      0.52046002      3.49607486
  H     -3.54833007      0.13566950     -0.77345260
  H     -6.04769729      3.41029747     -0.56364930
  O     -1.83606113     -0.28856470     -1.17721030
  H     -1.79067661     -3.36914046     -0.59920654
  H     -5.29167921      3.03779874      0.73012610
  O     -5.25214343     -1.43178650      1.65465521
  H     -2.34657304     -2.13176201     -1.32806491
  H     -4.18421826     -1.75441250      3.10593858
  O     -2.69708972     -4.17059032      2.38523112
  H     -0.18294799     -1.98866134      0.91626642
  H     -4.03270145     -1.54321595      4.63577790
  O     -0.66155222      2.18552802     -1.76398389
  H     -0.60483263     -0.82157672      1.84641317
  H      0.84054078      2.58175008      2.08380641
  O     -2.57341503      3.89133742     -0.88585541
  H     -4.29934252      0.38702349      6.05532661
  H      1.65026566      3.56328266      2.96255414
  O     -5.24493533      2.87482865      2.51937500
  H     -5.26193663     -0.63993383      6.69105653
  H     -0.31404304      2.44712701      4.24520063
  O     -1.66766186      4.02587559      1.73325195
  H     -5.82808079      0.21219143      4.33699303
  H     -1.08551905      1.12116716      4.35485198
  O     -5.23778348      3.02256232     -0.24090447
  H     -6.02586911     -0.18884715      2.85969280
  H     -3.66218279      2.66153356      5.89057362
  O     -3.63012223     -1.97203989      3.87097831
  H     -1.30163055     -0.54732369     -0.41152693
  H     -2.41469143      1.79336288      6.00366167
  O      0.78377739      3.18176081      2.85006807
  H     -1.43328796      0.51804486     -1.52178560
  H     -3.97867819     -3.55789764     -0.24376008
  O     -0.99006233      1.99448865      4.76309810
  H     -5.21562950     -2.30397716      1.24295946
  H     -5.20539521     -4.49510056     -0.14123445
  O     -3.33832929      1.84747994      6.28782734
  H     -4.98517316     -0.80673896      0.96472443
  H     -1.25685851     -3.96586468      1.42589086
  O     -4.68993987     -3.86055534      0.34919942
  H     -3.43300655     -4.20962846      1.76129057
  H      0.04664381     -4.55747772      0.83669774
  O     -0.53641013     -3.80486080      0.78975123
  H     -2.95071666     -3.51227850      3.04529861
  H     -3.25130471      1.03484402      1.01790342
  O     -2.90873998      1.49887704      1.79018029
  H     -0.25349818      2.54128920     -2.54903857
  H     -3.67864246      1.91810661      2.19697673
          69
 Energy    -248.80839890308570     
  O     -7.55781444     -2.28457236      6.51200681
  H     -7.93043801     -1.45963113      6.84512521
  H     -4.52771627     -0.59707538      0.91531951
  O    -10.70020842     -2.28195011      3.44341824
  H     -6.60550108     -2.15093780      6.43541275
  H     -7.34438830     -1.14411818      3.20086293
  O     -8.71548538     -3.94017151      4.70483609
  H    -10.56558931     -1.47778378      3.96638491
  H     -8.34929264     -0.18469058      3.91645644
  O     -6.01412719     -0.61199303      0.03593742
  H    -10.13423644     -2.94420972      3.85434769
  H     -4.57650656     -2.11453405      5.18898650
  O     -5.47074274      0.63973838      5.10972902
  H     -8.33982871     -3.35636775      5.38887129
  H     -4.05009674     -2.23544443      6.64095353
  O     -4.30639780      5.46574604      1.52793244
  H     -8.85887687     -4.78760979      5.11697230
  H     -2.84678433      3.12964301      2.95714997
  O    -10.21639831      1.54496153      0.91079883
  H     -6.63080551     -1.35111668     -0.02464440
  H     -1.78455425      4.05720648      3.56785826
  O     -8.73928566      0.19121368      7.35650533
  H     -6.54099256      0.14988247      0.31266290
  H     -8.04579155      4.89749316      4.29411244
  O     -4.41526924     -2.42511459      3.50470861
  H     -5.14681827     -0.14425139      5.56919557
  H     -7.28083340      3.79568499      3.53406037
  O     -9.92773924     -0.00595183      4.81132059
  H     -6.18599083      0.34070671      4.52520190
  H     -9.57988609      2.97073063      3.75941157
  O     -7.97126624     -2.67884367      0.12327277
  H     -3.95128557      5.87441635      0.74267538
  H    -10.39882944      2.19398626      2.69508655
  O     -3.71057953     -0.55095966      1.44382113
  H     -3.55578209      5.02969822      1.96542528
  H     -7.37079430     -2.95069990      1.84325050
  O     -7.50050954     -0.22562600      3.45485639
  H     -9.24358159      1.53844867      0.93357494
  H     -7.63571488     -3.36861225      3.33398557
  O     -4.75126663     -1.86167650      6.11482930
  H    -10.47049857      1.98637283      0.10400002
  H    -10.42189654     -1.70101558      1.77641769
  O     -2.37335475      3.96640698      2.82262850
  H     -9.11475852      0.39388469      8.20908190
  H    -10.30042591     -0.40393584      0.92974484
  O     -7.99451913      3.95164606      4.17298479
  H     -8.23628185      0.97691359      7.07668730
  H     -6.55371614      1.79014312      6.02943110
  O    -10.35577300      2.41064698      3.63515821
  H     -4.08972657     -1.80752166      2.84076736
  H     -7.59396771      2.88084836      5.71176825
  O     -7.02657598     -2.90544886      2.74415521
  H     -5.29432755     -2.69760561      3.20214588
  H     -3.82713722      0.95369499      2.49469887
  O    -10.15085729     -1.35384511      0.91220722
  H     -9.65785394      0.07860735      5.73227423
  H     -4.39124843      1.35614782      3.88602533
  O     -7.30227419      2.27663779      6.40366095
  H    -10.17068762      0.87232494      4.48017956
  H     -7.01159926      2.20236513      1.49083476
  O     -3.95282602      1.70019286      3.09443482
  H     -8.78057028     -2.18776218      0.36114066
  H     -7.52401573      0.83484144      2.02719597
  O     -7.51563543      1.41537809      1.24869947
  H     -8.22007963     -3.31178465     -0.54403245
  H     -5.31283318      2.82609946      2.60756334
  O     -5.99445385      3.45455836      2.33164528
  H     -2.98959596     -0.72938660      0.84533913
  H     -5.52782134      4.22422178      1.97786140
          69
 Energy    -248.80833676324113     
  O     -8.88689949     -2.06255867     -8.42908225
  H     -8.34752015     -1.41883449     -7.95098751
  H     -9.81068341     -3.92403753     -3.07139209
  O     -5.35745819     -4.22551973     -1.81376545
  H     -8.28059300     -2.77353516     -8.66921983
  H     -9.66427111     -1.65567194     -3.50459861
  O     -8.74903504     -5.52382382     -0.71176336
  H     -6.14276798     -3.77702428     -1.47025576
  H     -8.43443896     -2.55266390     -3.86273111
  O    -11.12290035     -2.15861211     -6.87260342
  H     -5.54937823     -5.17016538     -1.75229816
  H     -4.71707932     -3.56076080     -6.38585730
  O     -7.78288564     -6.36187263     -4.02107288
  H     -8.39683551     -4.64717874     -0.51133476
  H     -4.59035941     -2.30956384     -7.25904289
  O     -7.12513618     -0.03490929     -2.90941347
  H     -7.98018999     -6.06291843     -0.93294909
  H     -6.56453808     -4.47823616     -9.62369781
  O     -4.57641712     -0.75728041     -4.01642196
  H    -10.35302528     -2.15201457     -7.46754169
  H     -6.13259490     -3.79917641     -8.30475418
  O     -8.07748229     -5.35077924     -6.59520957
  H    -11.89603922     -2.08412732     -7.42743974
  H     -7.99691403      0.96397404     -4.12906932
  O    -10.65197746     -0.64275144     -4.53608136
  H     -8.57575537     -5.90079391     -3.71835917
  H     -8.55810767      2.23376202     -4.81165884
  O     -7.33256916     -0.59750127     -6.61467910
  H     -7.72770589     -6.17541895     -4.96582525
  H     -8.17149318     -2.65742709     -1.53906371
  O     -4.62570809     -0.39769115     -6.82797839
  H     -7.73857513     -0.77989780     -2.97305363
  H     -7.24207181     -2.07242915     -0.44623848
  O    -10.03630270     -4.86096812     -3.08264387
  H     -6.83688309     -0.00490761     -1.98775513
  H     -4.66484516     -2.56942726     -4.30523703
  O     -8.95008962     -2.18936018     -3.12371283
  H     -4.47799783     -0.51709778     -4.94624628
  H     -5.01134064     -3.89492972     -3.58758776
  O     -4.78118641     -3.25352631     -7.29933953
  H     -5.45136124     -0.45947233     -3.73348684
  H    -10.63800786     -4.88969896     -4.93370590
  O     -6.90488797     -4.07728110     -8.82803453
  H     -7.78774934     -5.05001995     -7.46258495
  H    -10.90432804     -3.92335899     -6.12248974
  O     -8.50751086      1.28450530     -4.89157220
  H     -9.04067085     -5.24851044     -6.52128875
  H     -6.11762734     -7.73422103     -1.72063867
  O     -7.61817512     -2.89428032     -0.78091085
  H    -10.85224517     -1.11022448     -5.35893426
  H     -6.82981698     -6.71716739     -2.64668831
  O     -4.88893924     -3.49794606     -4.46042788
  H    -10.09551745      0.10906605     -4.76713215
  H     -4.33183286     -2.65111844     -1.46671463
  O    -10.65514796     -4.82718395     -5.89725257
  H     -7.77974724      0.08723598     -6.10321237
  H     -4.02497596     -1.36050953     -2.26155191
  O     -6.37146791     -6.81852853     -1.79068749
  H     -7.41895974     -1.43679412     -6.13435094
  H     -7.77740827     -3.78074021     -5.70809976
  O     -4.09173809     -1.71968890     -1.36769266
  H     -4.34366245      0.26465032     -7.45362917
  H     -6.57655809     -3.19000795     -4.93410345
  O     -7.47739968     -2.99779843     -5.22926054
  H     -5.59905163     -0.40620629     -6.84085973
  H     -5.39204186     -0.87109102     -0.58544261
  O     -6.21762274     -0.44383121     -0.29107328
  H     -9.77126285     -5.19443915     -2.21181030
  H     -6.01938716      0.01809330      0.51858779
          69
 Energy    -248.80819248662851     
  O     12.42951161      9.75554681    -14.66070139
  H     12.80541897      9.10399002    -15.27180647
  H     14.86739623      5.14215822    -15.65653779
  O     15.82260854      6.24559718    -12.85652538
  H     12.73737935     10.60287784    -15.00378890
  H     19.08739686      6.87555983    -14.93907818
  O     17.97692172     10.25172011    -12.16166121
  H     15.07379295      6.51909057    -12.31039616
  H     20.38637729      6.26087016    -14.37161758
  O     18.20073964     10.70540060    -16.01127883
  H     16.62818685      6.57782196    -12.43558575
  H     16.70194539      8.00972861    -15.20880564
  O     12.93553911      5.44783272    -15.69897024
  H     17.76868978     10.54936330    -11.26684023
  H     15.81897604      7.66252645    -13.99656943
  O     14.53214693     10.42361265     -9.57608511
  H     17.31665564     10.62942254    -12.75663239
  H     17.35422859      8.89295425     -9.27443618
  O     13.72038891      7.39083498    -11.46188631
  H     17.50067329     11.01091426    -15.42853002
  H     17.61152165      7.62754364    -10.11489850
  O     16.00042388     10.95590974    -14.03674246
  H     18.92252427     10.42285927    -15.42898927
  H     12.48639862      7.00784936    -12.81045008
  O     17.50443782      9.05329580    -18.02019109
  H     12.26793373      4.82915197    -15.98322489
  H     11.84632105      7.90466569    -13.88520239
  O     14.55654517      7.65057011     -8.81173664
  H     12.57293233      5.91083397    -14.92287761
  H     19.45031105     10.01013353    -13.34824108
  O     17.83193677      6.91182057    -16.19216597
  H     14.18276959     10.40779505    -10.47661663
  H     20.02467564      8.82005561    -14.14153475
  O     15.81110040      5.17925828    -15.46654268
  H     14.39973185      9.53549180     -9.22145476
  H     18.74726910      7.18049192    -12.60719098
  O     19.71283385      6.91313033    -14.19562465
  H     13.90159492      7.36479892    -10.51432507
  H     18.03604831      8.42666329    -12.03231355
  O     15.96884419      8.33662449    -14.67251816
  H     13.83150021      8.31284021    -11.73630617
  H     16.24534012     10.75826458     -9.52225984
  O     17.21146754      7.93855940     -9.29271865
  H     15.35132857     11.40850799    -14.59100216
  H     17.46321156     11.48216236     -8.89681542
  O     11.98577776      6.98519231    -13.63744736
  H     15.99241419     10.01718311    -14.29849116
  H     15.74261476      9.84692286    -17.94083640
  O     19.98230049      9.78336383    -14.12268908
  H     17.80975978      9.67541968    -17.33307742
  H     14.36705932      9.37864923    -17.45040128
  O     18.12824939      7.46828167    -11.92499765
  H     18.02037018      9.23385168    -18.80207280
  H     14.68887501     10.41218164    -12.73235773
  O     17.21768609     10.81220869     -9.52910893
  H     14.40436892      7.20842322     -7.98119803
  H     13.25983448      9.95154837    -13.02931597
  O     14.85361993     10.16256539    -17.74496229
  H     15.52107957      7.67229043     -8.94874426
  H     14.34110597     11.33516926    -16.55887146
  O     13.90115524     10.04939488    -12.31173355
  H     17.12431004      6.25059221    -16.11981114
  H     13.81643961     12.73822624    -16.16973739
  O     14.04022074     11.88357017    -15.81113359
  H     17.68888937      7.47150373    -16.96490245
  H     14.55492785      8.07637078    -15.81146640
  O     13.77399784      8.02231145    -16.38277232
  H     15.86194833      5.37071778    -14.51875359
  H     13.45662754      7.11377221    -16.33058947
          69
 Ord_Energy   -248.808151    
 O    1.40039706      -1.07037091       2.30042887    
 H   0.981573820      -1.38471758       1.48461795    
 H    2.06314659     -0.423618495       2.03067350    
 O   0.834903717       2.59635115       2.25618005    
 H   0.370187640       2.01593852       2.87064910    
 H    1.63602424       2.12380743       1.99412823    
 O   -3.90759015      -1.47543716       1.47110891    
 H   -3.50513482     -0.613726676       1.64541996    
 H   -3.86070204      -1.96312857       2.30671406    
 O  -0.496067584      0.479247153       3.65811944    
 H   0.153439447      -6.36089966E-02   3.18611407    
 H  -0.828615606      -7.03204796E-02   4.37784719    
 O   0.684481502       3.15033197      -2.50798297    
 H   0.308134049       3.35744691      -1.63496220    
 H    1.02743840       3.96842265      -2.85944557    
 O   -2.77183509      -2.66494918      -2.54805231    
 H   -2.11103868      -2.15030527      -3.03794527    
 H   -3.19661236      -3.23583317      -3.18506408    
 O   -3.29063368      -2.85152149       3.76943016    
 H   -2.75215268      -2.35221076       4.39539623    
 H   -2.71549749      -3.55011678       3.43477345    
 O   -4.46088362     -0.727481604      -1.20854306    
 H   -4.45293188      -1.00624371     -0.283615619    
 H   -3.96758318      -1.39805865      -1.69492483    
 O   -3.31138611       1.66326511      -1.84734643    
 H   -3.42443538       2.28577209      -1.12071824    
 H   -3.84582114      0.877557516      -1.64958835    
 O   -1.29750538       1.47951698      -3.74175072    
 H  -0.601307690       2.04548430      -3.38737822    
 H   -2.09324336       1.66415775      -3.22279072    
 O   -1.04974031      0.656657696     -0.490286738    
 H  -0.585866272       1.48970830     -0.341215998    
 H   -1.77036846      0.860441506      -1.10009587    
 O  -0.943609476      -1.17696166      -4.02927351    
 H  -0.721491158      -1.33388305      -4.94413090    
 H   -1.06877637     -0.214933291      -3.93920994    
 O    2.99842143       1.02137899       1.29472768    
 H    3.93612647       1.17754436       1.36669385    
 H    2.78302336       1.04813492      0.344374865    
 O   0.384777814      -3.05420709       4.01756716    
 H   0.880412877      -2.45309138       3.44464493    
 H  -0.122297287      -3.63585615       3.43787527    
 O  -0.404307395       3.38453531      -2.54840199E-02
 H    4.99531217E-02   3.21680641      0.815853357    
 H   -1.34157312       3.50294900      0.165796563    
 O    2.33098626       1.10297418      -1.31666791    
 H    1.86281109       1.79586411      -1.79277229    
 H    2.10250020      0.269462734      -1.75320172    
 O   -1.42151690      -4.61286068       2.42303038    
 H   -1.68488443      -4.23346996       1.56893587    
 H   -1.45327806      -5.56116486       2.32079053    
 O   -3.20919204       3.24176550      0.560531676    
 H   -3.83154678       3.80561733       1.01267231    
 H   -3.06815386       2.46590257       1.12983763    
 O   -2.23976398      -3.26659346      0.158987135    
 H   -2.40828109      -3.18991613     -0.787721276    
 H   -2.83040023      -2.63800716      0.602491438    
 O   -1.34476292      -1.53347075       5.44397783    
 H   -1.24981213      -1.65592480       6.38478327    
 H  -0.687376320      -2.11369729       5.01676130    
 O    1.46840513      -1.30906856      -2.40068913    
 H   0.710583925      -1.27540755      -2.99415708    
 H    1.11593974      -1.64518404      -1.56466413    
 O   -2.51419139      0.908777654       1.83424091    
 H   -1.89228737      0.802539825       2.56677032    
 H   -2.00444007      0.735029578       1.02822530    
 O   0.109963924      -1.76672626      -4.56009014E-03
 H  -0.256531328     -0.895244002     -0.226067424    
 H  -0.641082287      -2.36497378       7.77738690E-02
          69
 Ord_Energy   -248.808029    
 O    6.92285013      -6.21474171      0.981498122    
 H    7.30049229      -6.11845732       9.51227024E-02
 H    7.64137793      -6.03675270       1.59983516    
 O   0.604394495      -4.48927498      0.479785293    
 H   0.788274348      -3.98492503       1.28203559    
 H    1.35719693      -5.08227825      0.341602147    
 O    7.95494032      -2.93740964       2.94671369    
 H    7.29771042      -2.51737404       3.51190209    
 H    7.97166300      -2.41953278       2.13122582    
 O    5.34823608      -5.02187920      -3.79654956    
 H    6.06250095      -4.41231775      -3.57256484    
 H    4.55530214      -4.64893246      -3.38899136    
 O    5.37124157      -2.38663864     -0.655571520    
 H    5.19031906      -3.03931046       4.08930294E-02
 H    4.92823029      -1.55479085     -0.438976675    
 O    1.71325803      -1.04655254      0.378886521    
 H    1.51255476      -1.54472888       1.18171287    
 H    1.35074902      -1.55755949     -0.354467839    
 O    1.23015809      -2.70388722       2.61711884    
 H   0.693629086      -2.58461094       3.39592981    
 H    2.14950609      -2.80899549       2.92279053    
 O    5.94275522      -1.39699733       4.27747774    
 H    5.96223450     -0.757814467       3.54278350    
 H    6.04818106     -0.894293487       5.08076429    
 O    9.67090321      -2.35149693      -1.31726205    
 H    9.89899349      -3.18565321     -0.866936028    
 H    10.4786196      -2.00631285      -1.68718100    
 O    4.13790989       9.67872981E-03   9.79861990E-03
 H    3.24155974     -0.325791210      0.192917749    
 H    4.03576803      0.781586170     -0.541155100    
 O    9.11303425      -5.31886768       2.50381565    
 H    9.56917763      -5.62824535       3.28126407    
 H    8.70800209      -4.46220922       2.73390937    
 O    3.80424595      -2.99106216       3.31798816    
 H    4.49267006      -2.45717907       3.72901773    
 H    4.23821211      -3.50876570       2.62587309    
 O    7.27634239      -3.38268781      -2.46403289    
 H    8.10756016      -2.95077467      -2.23125839    
 H    6.59712887      -3.00571370      -1.88755441    
 O    6.14172602      -7.49233055      -2.98871064    
 H    5.79668474      -6.65198851      -3.34062576    
 H    6.14506578      -8.11414719      -3.71123004    
 O    7.79690075      -1.44088352      0.558604121    
 H    6.99396801      -1.78246295      0.145637125    
 H    8.51855755      -1.63310838      -5.25389202E-02
 O    6.08835888      0.201781809       2.08555532    
 H    6.82029772     -0.180947110       1.58328474    
 H    5.34109688      0.221261591       1.47553551    
 O    10.0852070      -4.73938799     -0.127081007    
 H    9.51491642      -5.31040478     -0.660303712    
 H    9.86954403      -4.93361568      0.792995334    
 O    4.87638330      -4.36061335       1.14722419    
 H    5.62831402      -4.96677876       1.18777287    
 H    4.13925457      -4.85580826      0.763296425    
 O    2.95252609      -5.78970194     -0.250219941    
 H    3.53205609      -6.56264257     -0.324214667    
 H    3.09554791      -5.24013281      -1.03209436    
 O    8.00384808      -5.94328403      -1.57154560    
 H    7.73063087      -5.07412148      -1.89798832    
 H    7.50894833      -6.59476328      -2.08293867    
 O    4.89764786      -7.70832777     -0.409777731    
 H    5.58104324      -7.37437963      0.184960410    
 H    5.29703760      -7.73935127      -1.28794074    
 O    3.36645007      -3.79155993      -2.22066808    
 H    2.48478436      -3.40574884      -2.13272834    
 H    3.97518897      -3.22407794      -1.73318720    
 O   0.787941813      -2.83609605      -1.63717651    
 H   -1.13354204E-02  -2.81061220      -2.15586281    
 H   0.631518781      -3.46268535     -0.905555546    
          69
 Energy    -248.80755644831174     
  O     16.11452428     11.49427534     -9.57288846
  H     16.64027854     10.68432094     -9.70152002
  H     14.10428730      7.91777054    -13.84831451
  O     12.09923805      6.59243838    -11.66924174
  H     16.51451770     11.97159530     -8.85112726
  H     14.95982917      4.99955958    -15.81433265
  O     17.45157313      9.89767954    -15.12467065
  H     12.62298796      6.94464361    -10.93475126
  H     14.32651736      6.08998561    -14.89307745
  O     17.65261139      8.55878646    -12.68585297
  H     12.59575285      5.83207916    -11.99196375
  H     16.51877722      5.78643402    -14.31611061
  O     16.78509816     12.53302820    -14.47204316
  H     16.62149083      9.63169566    -15.54854322
  H     17.88459647      6.41825915    -14.67859446
  O     13.89869555      7.72495547     -9.90774047
  H     17.36514783     10.83963545    -14.93199293
  H     14.61043209      8.19054345    -11.55623424
  O     15.05414186      9.23666559    -16.37618367
  H     17.64532061      9.13130166    -13.46461384
  H     15.85716560      8.58809983    -12.41460705
  O     14.15979880     11.62019660    -15.33866860
  H     17.61652283      7.65167609    -13.01993167
  H     14.34928248     10.85240142     -9.60109296
  O     15.29690698      4.83135712    -17.53798547
  H     17.11447165     13.41573316    -14.61818762
  H     13.21031939     10.65902463    -10.62180143
  O     11.28422915      8.64542603    -13.25279894
  H     16.37728486     12.52752306    -13.58678159
  H     14.16701512      4.63225205    -13.38971494
  O     16.33148888      5.30115021    -11.38295707
  H     13.73891165      8.65455423     -9.68368813
  H     13.57253119      3.51574006    -12.50220947
  O     13.57421945      7.68251252    -14.62759354
  H     14.70124699      7.42844710     -9.46414753
  H     13.90799322     10.02566634    -12.58984588
  O     14.83491523      5.26531177    -14.89212601
  H     14.51277292      8.62776880    -15.85530571
  H     12.41136608     10.18559020    -12.87819940
  O     17.36256545      6.07748555    -13.94218429
  H     14.69037158     10.11650432    -16.20139952
  H     16.43628313      6.19887341     -9.90598725
  O     14.89426355      8.55664785    -12.40351262
  H     14.98981690     12.05590548    -15.10971712
  H     16.70125970      6.19088135     -8.38143403
  O     13.48888569     10.43044782     -9.72908174
  H     13.74509180     11.38230889    -14.50177426
  H     17.19569798      8.38841914     -9.59910525
  O     13.83688309      4.43279001    -12.49677182
  H     15.72052967      5.68811062    -17.72007116
  H     17.70970103      9.02764924    -10.90512848
  O     13.20800050     10.69372818    -12.68226369
  H     15.10202062      4.44634456    -18.38743551
  H     17.31341817      7.31480015    -17.30649110
  O     16.41860617      6.74854886     -9.10113241
  H     11.51561103      7.90984128    -12.65563968
  H     15.94751754      8.00487568    -17.46946335
  O     17.50156826      9.22011856     -9.98081576
  H     10.33872282      8.61388845    -13.37049921
  H     14.58514539     11.99268691    -12.28167485
  O     16.48792646      7.27561031    -17.80273353
  H     15.46278370      4.98212180    -11.65721430
  H     15.73078574     12.15530233    -11.25843472
  O     15.44388363     12.40928882    -12.14461907
  H     16.82134410      5.46920109    -12.19636520
  H     18.38824842      8.45686502    -15.71059642
  O     18.70234254      7.57891338    -15.98374580
  H     12.67658408      7.95299962    -14.40824562
  H     19.63003975      7.67157629    -16.18744818
          69
 Ord_Energy   -248.807343    
 O   -2.47188830       4.94756937      -5.34757233    
 H   -2.27195930       5.75223970      -5.81774807    
 H   -3.42049241       4.97721624      -5.12613058    
 O   -1.92423534       1.27255630      -3.61393261    
 H   -2.12181044       1.44151950      -4.54777908    
 H   -1.84510958       2.14495730      -3.20589042    
 O   -2.71847057       2.17525601      -6.08374929    
 H   -3.68154860       2.10951877      -6.09205055    
 H   -2.52769852       3.11552429      -5.97156954    
 O   -3.08125925      0.512434244       2.69802904    
 H   -3.19676137       1.36869168       3.12395930    
 H   -2.87390947      0.732129872       1.77706110    
 O   -6.79661751       1.02901554       1.13051653    
 H   -6.35352659      0.302339047       1.60532141    
 H   -7.70141411       1.04572666       1.43057573    
 O    1.06483114       1.20819187     -0.815035641    
 H   0.683928728      0.486548454      -1.32741964    
 H    1.08578515      0.929450095      0.110168487    
 O   -4.67609787       3.75164604      -1.96312666    
 H   -4.80796051       3.66568780      -1.01101494    
 H   -4.76509428       2.86148453      -2.33594918    
 O   0.925047874      0.682582319       1.99750447    
 H    1.67110634      0.440856189       2.54074383    
 H   0.288790226      -5.05592115E-02   2.05627680    
 O   -4.52164459      -2.49558544      -1.49044003E-02
 H   -4.49243975      -3.43584704     -0.171220973    
 H   -3.63968086      -2.14700770     -0.230199397    
 O   -2.71566749       1.32499695       2.13486701E-02
 H   -1.98677099       1.94565129     -0.112278618    
 H   -3.51666737       1.85399175      0.122458890    
 O   -5.55088329       2.11334133      -5.57380438    
 H   -6.29301739       1.62407911      -5.91867733    
 H   -5.33736706       1.72519529      -4.70694828    
 O  -0.698065698       3.08347392       2.29975843    
 H  -0.673147619       3.33575678       1.36452675    
 H  -0.142661303       2.29809666       2.35614467    
 O   -5.89698744     -0.322077066      -1.24783778    
 H   -6.28860664      0.151214674     -0.504725099    
 H   -5.50056648      -1.12092483     -0.880345106    
 O   -4.72378111       1.21786511      -3.13391948    
 H   -3.77335119       1.05927312      -3.18040085    
 H   -5.12116003      0.612681329      -2.49007440    
 O  -0.311361641     -0.663364649      -2.56016898    
 H  -0.870908678       1.64981708E-02  -2.97568202    
 H   0.182685271      -1.07782006      -3.26292634    
 O   -3.27232122       3.30505562       3.10609984    
 H   -3.33363223       3.92653441       3.82621884    
 H   -2.33318830       3.27497482       2.84400320    
 O  -0.712402999       3.23436046     -0.441571534    
 H   -1.04879439       3.62763929      -1.25598717    
 H    2.23180003E-04   2.61723685     -0.670869708    
 O   -5.07596970       4.75130796      -4.59085321    
 H   -5.07911921       4.58108425      -3.63944364    
 H   -5.37195969       3.93048024      -5.00574017    
 O   -4.84434128       3.00063634      0.728546500    
 H   -4.38527441       3.19198775       1.55652010    
 H   -5.56757402       2.38866162      0.923237205    
 O   -2.00944471       3.95539260      -2.74748659    
 H   -2.92155075       3.97663522      -2.42203474    
 H   -2.01389265       4.37190342      -3.61723685    
 O   -2.13717723      -1.28069115     -0.548397303    
 H   -2.39476109     -0.356878340     -0.395725876    
 H   -1.48541999      -1.25668001      -1.25873029    
 O   -5.38909674     -0.980468273       2.25016379    
 H   -5.11717653      -1.61082590       1.57201397    
 H   -4.58229160     -0.526588976       2.53272247    
 O  -0.992869675      -1.24446082       2.06886053    
 H   -1.30846322      -1.41815245       1.17290938    
 H   -1.70788288     -0.761791945       2.50612450    
          69
 Energy    -248.80720574736779     
  O     12.09767072      9.28322589    -10.80115807
  H     11.28136887      9.69580180    -11.10083985
  H     14.36161932      7.89309246    -12.92708171
  O     12.59470355      7.41995796    -12.82535070
  H     12.34100395      8.63121886    -11.47202875
  H     11.96950305      8.53850439     -9.14269849
  O      9.58736819     10.03823129    -12.00322263
  H     11.93543352      7.81274613    -13.41184513
  H     12.00062597      8.83744861     -7.63064354
  O     14.48263621     10.23035624     -9.85273638
  H     12.21297369      6.64514451    -12.39128261
  H     11.78618190     10.78278792     -5.87743235
  O     15.89289273      7.81327399    -10.13233167
  H      9.03883863      9.44527465    -11.47424339
  H     12.49976352     11.17592643     -7.18570509
  O     12.74320616     15.57507710    -10.60118028
  H      9.84368333      9.59581619    -12.82062085
  H     13.21591934      6.86825899     -8.88063845
  O      8.22375651      8.70163951     -9.93609908
  H     13.63248013      9.95896275    -10.23085999
  H     13.15708226      5.87085242    -10.05326322
  O     12.61055278     13.18254346    -12.12056649
  H     15.04966633      9.45064961     -9.85279280
  H     15.37185906     11.79447334    -12.47963724
  O     15.01949901     14.14883664     -9.53286796
  H     16.68744665      7.47001205     -9.73291238
  H     15.01969903     11.50141977    -11.00280268
  O      9.99707419      6.55042563     -9.45433500
  H     15.16886185      7.21076318     -9.88335538
  H     10.51439539      8.99365497    -15.21307933
  O     11.47409210     13.99760886     -8.78277498
  H     12.24666022     15.12006929     -9.89696547
  H     11.43651524      9.80510972    -14.26928626
  O     15.25058522      8.27069377    -12.87505068
  H     12.46658929     16.48694969    -10.58727996
  H      9.93345933     11.65006792    -11.26824443
  O     11.99404975      8.11686521     -8.26890122
  H      8.68165190      9.36143326     -9.38195317
  H     11.15565740     12.58596648    -11.18315135
  O     11.85647282     10.55745179     -6.80210852
  H      7.29838114      8.75148520     -9.71128636
  H     10.29710201     10.59895183     -7.93636630
  O     13.76422128      6.30281304     -9.44335353
  H     13.49297197     12.83487812    -11.92728569
  H      9.86094611     11.27303144     -9.25274126
  O     15.18810124     12.21815412    -11.63275129
  H     12.61220954     14.08846726    -11.78773523
  H     12.41355274     11.89454405    -13.51302593
  O     10.83883610      9.03417428    -14.31769777
  H     15.26785617     13.58654333    -10.27874533
  H     13.47268415     10.97989676    -14.15273632
  O     10.34987845     12.32495752    -10.71482178
  H     14.37601125     14.77335744     -9.88856308
  H     15.96432405     10.70105535    -14.73383570
  O      9.59719689     10.61307023     -8.59762206
  H     10.61060164      7.00926317     -8.86391017
  H     15.35252590      9.81722725    -13.61960674
  O     12.52098873     11.12972621    -14.09172052
  H      9.30796856      7.19411119     -9.65734500
  H     11.43550647      4.42637112    -11.30153765
  O     15.33992106     10.70870127    -14.01365643
  H     10.90230549     13.48535372     -9.37082011
  H     10.99694095      5.74012989    -10.61148799
  O     11.65296474      5.35078897    -11.21782268
  H     12.15934655     13.38170038     -8.49303795
  H     13.93802437     11.46097894     -8.64913588
  O     13.63165792     12.20881716     -8.11549629
  H     15.56708304      8.09027766    -11.98240822
  H     14.16162802     12.95895745     -8.42181668
          69
 Energy    -248.80665095019555     
  O     13.07470798     11.54773741    -15.23523892
  H     13.86977018     12.04373733    -15.45866902
  H     19.72468389      7.59007846    -13.54487739
  O     15.82820052      6.85569426    -12.79160506
  H     13.18466739     10.67379017    -15.63687634
  H     16.01779842     10.07115983    -17.92413565
  O     18.48790376     10.52863112    -12.06948345
  H     16.22782184      6.22475062    -13.40246759
  H     17.25343347     10.35864819    -17.06455339
  O     18.19961050      9.23422780    -15.94117436
  H     16.54024698      7.19026486    -12.22389008
  H     15.04667096      9.01021046    -15.08253171
  O     11.90640078      7.22163759    -15.01836662
  H     17.75733380     10.93832956    -12.55339738
  H     15.77706063      8.24454630    -13.93461880
  O     15.96678383     10.91088737     -9.13492385
  H     18.59804093     11.01988182    -11.24191048
  H     11.25381238     11.95201529    -12.70984631
  O     14.07635129      8.15395707    -11.07305932
  H     17.39530815      9.13175594    -15.40703334
  H     12.33768062     11.43535815    -13.68746695
  O     16.28268000     11.46082743    -13.45839163
  H     18.93591263      9.33665295    -15.32916808
  H     11.67814932      9.44114711    -12.66194432
  O     17.17213180      6.89213481    -17.04758253
  H     11.21715715      6.56921206    -15.10428363
  H     12.38495280      8.25833238    -11.97491814
  O     15.89173571      8.04604410     -9.01098166
  H     11.78103694      7.63101625    -14.14509938
  H     19.63296567      9.86523490    -13.23719130
  O     17.42865071      5.38775899    -14.59072230
  H     15.96038357      9.96846978     -8.93126488
  H     21.03062834      9.82217520    -13.89844574
  O     19.31168442      6.78830223    -13.20336928
  H     15.35978388     11.02086011     -9.87933826
  H     17.28049680      7.99387500    -10.31521706
  O     16.52453639     10.79057966    -17.53254833
  H     14.55905088      7.63548823    -11.73324801
  H     17.98416591      8.86869386    -11.39639308
  O     15.82682497      9.01565608    -14.51137384
  H     14.22261991      9.09313950    -11.26612352
  H     18.73069680     12.52371645     -9.08589828
  O     11.96720978     11.32533665    -12.79234557
  H     16.08888418     10.57607924    -13.81153276
  H     17.58280325     11.55296072     -9.41832649
  O     11.68032059      8.47826073    -12.59613992
  H     16.12496863     12.06842239    -14.18928869
  H     15.12886365      7.97246595    -19.23469080
  O     20.16382859      9.42546315    -13.92385335
  H     17.16918295      6.30117652    -16.28673882
  H     15.89202794      7.72399434    -17.91392040
  O     17.77385906      7.95909250    -11.14307084
  H     17.69990729      7.65533460    -16.77159999
  H     13.53398932     11.13089290    -11.83708871
  O     18.48073829     11.82201675     -9.67987735
  H     15.15889283      8.01312208     -9.64972082
  H     15.05329117     11.18649238    -12.14032199
  O     15.23089815      8.29559594    -18.34366704
  H     15.66253987      7.45570507     -8.29790143
  H     15.91613897     12.07148108    -16.50670642
  O     14.40309604     10.90216114    -11.48347586
  H     17.65779540      4.46166144    -14.59728056
  H     15.74400990     13.59164846    -16.29306299
  O     15.60013329     12.74532821    -15.87838906
  H     18.16554703      5.85290009    -14.15462271
  H     14.03822051      8.69251338    -16.98926922
  O     13.62238399      8.99392745    -16.17266370
  H     18.90678050      7.05448633    -12.36705900
  H     13.00879269      8.31321837    -15.85732767
          69
 Energy    -248.80661866981274     
  O     19.67173693     10.29950668    -12.85964859
  H     20.02114297     10.68760744    -13.66936784
  H     18.78395592     14.67553444    -14.52240449
  O     14.77274455     15.78981885    -12.89850310
  H     19.36162139     11.04185940    -12.32212388
  H     14.46365397     10.91603662    -12.45889297
  O     20.54171617     14.20690946    -12.04327748
  H     14.21547380     15.22309130    -13.46467333
  H     13.88876583     10.86803014    -13.90022992
  O     17.14596953     11.98160123    -18.02171586
  H     14.31004470     16.61644966    -12.79142728
  H     17.83159291     12.41308219    -12.33636470
  O     20.17361919     11.72474384    -15.34140092
  H     21.29610160     13.90045699    -11.54596797
  H     17.87362683     12.39215460    -10.79280839
  O     15.46527645     10.10292765    -11.27156018
  H     19.80206753     13.63083741    -11.79111420
  H     13.08088074     14.28556187    -17.83711158
  O     16.20287058      8.51494213    -14.69697712
  H     18.08321031     11.96411435    -18.25129660
  H     13.90870248     13.06868622    -17.35612855
  O     19.99044818     12.21969236    -18.17467490
  H     16.95445574     12.88475714    -17.72654124
  H     18.38977728      9.13268382    -12.50846137
  O     13.39364134     14.01426191    -14.38885059
  H     20.02892192     12.63833564    -15.05428813
  H     18.03885489      7.80491200    -11.80560325
  O     16.44574545     12.23239134     -9.60915704
  H     20.28959420     11.76766764    -16.29866258
  H     16.67226831     14.72892059    -16.17356007
  O     17.68937067     10.57083861    -15.72533168
  H     15.82335630     10.70219235    -10.60613105
  H     15.57287410     14.52397345    -17.23468129
  O     19.70762898     14.41890528    -14.65382403
  H     16.20482364      9.56133550    -11.57488260
  H     14.23179254     12.93131275    -11.74540279
  O     14.06467040     11.46219743    -13.15841525
  H     16.61462700      8.37810631    -13.83671538
  H     14.73827405     14.37969543    -11.61963349
  O     18.43075994     12.46282014    -11.57667782
  H     16.78682399      9.14005428    -15.15332088
  H     16.85336696     13.93338233    -14.18311484
  O     13.73911958     14.01619600    -17.20192745
  H     19.84495211     13.16414547    -17.97989616
  H     16.33653857     15.35410791    -13.86116413
  O     17.65123121      8.55484653    -12.24996531
  H     20.61902223     12.17969245    -18.89040237
  H     13.18769934      9.03460679    -15.46676806
  O     16.52940757     14.56405361    -17.11720185
  H     13.48197635     13.99841839    -15.35023931
  H     14.67959411      9.19568129    -15.08497844
  O     14.63733982     13.55320457    -11.13194810
  H     13.50091626     13.10961450    -14.07551531
  H     17.03026453     11.62761042    -14.42434660
  O     16.97611676     14.87252822    -14.39678697
  H     15.79465758     12.77779679    -10.08771679
  H     15.80819791     11.98254843    -13.53057209
  O     13.86830071      9.68544768    -15.31436774
  H     16.30192409     12.38444042     -8.67926756
  H     19.62516805     14.76861265    -16.49154368
  O     16.70770398     12.24540903    -13.75546020
  H     18.59527016     10.85108224    -15.53913307
  H     18.43068701     14.87064908    -17.46435798
  O     19.38748115     14.74956217    -17.42966576
  H     17.43393946     11.00524969    -16.54954898
  H     14.28481713     10.79437687    -16.81759127
  O     14.39417684     11.42888903    -17.53554178
  H     20.12490687     14.45908506    -13.78213914
  H     15.32254615     11.41966602    -17.80105499
          69
 Energy    -248.80660026345339     
  O      3.08878074     -1.07520874      5.67942482
  H      2.62387131     -0.22737146      5.69922426
  H      5.48898777      1.43450656      2.24271491
  O      0.45660648      0.16762819      8.16558506
  H      3.42891015     -1.21961868      4.78639030
  H      1.27698981      1.70356255      1.38716077
  O     -0.47018720     -5.09229534      3.70672425
  H      0.99733616     -0.46570694      8.65463669
  H      0.52260122      3.04295268      1.21952821
  O     -2.12115280     -1.16643336      8.21514395
  H     -0.44524452     -0.15939262      8.25232432
  H     -0.45562153     -0.03419204      3.33085881
  O      3.26050212     -5.25354815      6.42458763
  H     -0.20031187     -5.14665221      4.63493739
  H     -0.25735373      1.47701575      3.14964343
  O      3.96835478     -1.64316541      3.10822518
  H     -1.23383614     -4.50645514      3.68643903
  H      2.24799281     -0.43504328      0.68213174
  O      3.69088002     -4.35865119      3.91527659
  H     -2.97064038     -0.87495790      8.53628845
  H      3.23101332      0.66761709      1.12248082
  O      3.62360309     -2.77695626      7.78954262
  H     -2.14695340     -1.09526139      7.24655162
  H      2.17541730      2.58482577      3.16105060
  O      1.79870445     -1.92428344      9.56265852
  H      3.79643860     -6.02808296      6.57263556
  H      2.48812998      2.10543674      4.58918205
  O     -0.37124374     -3.44741168      8.53424101
  H      3.45782949     -4.94385244      5.52171825
  H      1.48515159     -1.89974831      5.48310164
  O      1.97232028     -2.25541536      1.22906509
  H      4.35847590     -0.79658626      2.85644906
  H      0.61527664     -3.18972306      5.61013608
  O      4.67101158      0.95982147      2.36118057
  H      3.28720549     -1.83616081      2.44882486
  H      1.66503179     -5.79272315      1.50413122
  O      0.76149450      2.38016793      1.86201233
  H      3.95480341     -3.45911414      3.68741410
  H      0.88677322     -5.01210639      2.58439385
  O     -0.59143080      0.81821833      3.77085974
  H      3.03585614     -4.62148761      3.25686572
  H     -1.63163438     -0.24366681      4.99393745
  O      2.37811249      0.52086825      0.69371731
  H      3.55950206     -3.65175918      7.39000650
  H     -0.93298532     -1.49071153      5.56398706
  O      2.90017860      2.44122058      3.78196072
  H      3.55312032     -2.14121739      7.06212605
  H     -2.43974231     -2.38117910      4.35154866
  O      0.63352303     -2.29179458      5.25708366
  H      2.50016350     -2.24147087      8.96547426
  H     -3.51065098     -3.13259969      3.53258908
  O      1.66784664     -4.98039570      2.00432181
  H      2.18175990     -1.87611624     10.43409064
  H      0.14404138     -4.46208990      7.15392579
  O     -1.79759383     -1.04936785      5.49916140
  H     -1.06010938     -2.77570088      8.47992669
  H      1.40676607     -5.07461608      6.45412097
  O     -2.56854854     -3.04307542      3.65392495
  H      0.37953938     -3.00231504      8.94905912
  H      0.69825184      1.02229033      5.14310336
  O      0.47740972     -4.84440511      6.32708808
  H      1.97080361     -3.21798245      1.28948911
  H      1.07977603      0.89375114      6.64927806
  O      1.42064672      1.13401599      5.77418189
  H      1.14783453     -1.98812908      1.66555418
  H      0.18697667     -2.00784452      3.55825149
  O     -0.23557894     -1.74240440      2.72348384
  H      4.10418637      1.51213253      2.92966698
  H     -1.09068149     -2.18549907      2.72146787
          69
 Energy    -248.80594878908391     
  O     15.62629737      5.00079117    -12.27109957
  H     15.84217920      4.65584639    -13.15109539
  H     17.97053698      6.60230932    -15.33048202
  O     14.83671830     11.47861367    -12.45159789
  H     16.37999960      4.83120443    -11.69329709
  H     16.25998769      9.33904409    -15.81077339
  O     17.46689622     11.32295233    -13.69692202
  H     14.28091814     11.01381174    -13.09308364
  H     16.50814757     10.74953668    -15.23659885
  O     11.25866069      7.80958632    -16.53190348
  H     15.70884973     11.54790765    -12.85655067
  H     15.51290456      8.29202062    -12.01722407
  O     16.86227034      6.83004960     -9.04039015
  H     17.83127605     10.58177160    -13.18681839
  H     15.84122631      6.82967048    -12.47051448
  O     12.84768965      7.17688746    -14.28661373
  H     18.11855339     12.01972504    -13.66672274
  H     14.27325525      7.94477202     -9.88390344
  O     13.57269774      9.90567752    -14.41373634
  H     11.85205420      7.52081202    -17.23608579
  H     13.63948468      6.60110256    -10.28450594
  O     14.03106711      9.88761614    -17.90334078
  H     11.65623802      7.49535815    -15.70773957
  H     18.53110706      4.11912271    -10.48779670
  O     16.27683976      4.26311468    -14.81894488
  H     15.90112040      6.78259896     -9.15454805
  H     18.49878553      5.40147089    -11.35511323
  O     16.53309893      7.64365684    -15.36217455
  H     17.24321344      6.10244961     -9.54357123
  H     12.45751031      4.91858527    -11.72648671
  O     14.49173286      5.99532363    -16.18709195
  H     13.15050726      8.08828968    -14.17025199
  H     13.92240515      5.33556687    -11.99720029
  O     18.64700639      5.91483325    -15.20626962
  H     12.83812781      6.74677385    -13.42381254
  H     17.50653165      8.59561805    -12.40082620
  O     15.96936845     10.26227738    -15.87074498
  H     12.86121934     10.21090685    -14.99143069
  H     18.23052898      9.29163869    -11.23311576
  O     15.94838651      7.76192721    -12.69776899
  H     14.39098007      9.99749965    -14.92164632
  H     19.16126144      7.40260220    -12.39903828
  O     14.14018965      7.03332228     -9.58524867
  H     14.76888270     10.12822503    -17.32848711
  H     19.16118161      6.24114064    -13.42142337
  O     17.97029315      4.84080495    -10.75917971
  H     13.23808839     10.24557053    -17.48431465
  H     17.42473547      8.43063737     -9.26184392
  O     13.01651582      5.67514962    -11.88901376
  H     15.64191633      4.71477614    -15.39197303
  H     17.94165808      9.75902429     -8.65650349
  O     18.28789813      9.12900431    -12.18483705
  H     17.13746917      4.65762424    -15.00182514
  H     13.33481549      7.14548413    -19.34966515
  O     19.30048083      6.45272616    -12.48957668
  H     16.30439876      7.73310257    -14.42335193
  H     13.67175983      8.21548317    -18.28406255
  O     17.65081497      9.35722193     -9.47007232
  H     15.84975162      7.08404713    -15.75747164
  H     15.88681600      9.55246460    -10.18813578
  O     13.38871599      7.29186076    -18.40916704
  H     14.14571806      6.31568893    -17.02937683
  H     14.90384990     10.23777254    -11.18375444
  O     15.04615890      9.44327416    -10.64918213
  H     13.89625100      6.32750136    -15.49792487
  H     10.87209855     11.01509804    -16.47966906
  O     11.66421563     10.49173455    -16.39785792
  H     19.21323777      5.94333472    -15.97376102
  H     11.39659349      9.55718667    -16.46359134
          69
 Energy    -248.80574788443025     
  O     14.07229553      9.77030577    -10.89770625
  H     13.91844013     10.32331011    -11.67382556
  H     16.03231642      3.85012892    -14.94100270
  O     13.80438995     10.41400709    -16.89616758
  H     13.34222915      9.13407001    -10.83228567
  H     11.89744107      7.46821510    -11.67752264
  O     16.70428375     10.96072414    -13.45692860
  H     13.41246594      9.76837397    -16.29375420
  H     12.91304889      7.06259095    -10.59214055
  O     13.44613470      4.89732365    -12.87535578
  H     13.65025277     11.27779721    -16.49372110
  H     18.77066908      7.94672953    -14.60970222
  O     16.18703110      6.79506133     -8.52382062
  H     17.05454669     10.99524413    -12.55580955
  H     20.20969110      7.38387287    -14.58263721
  O     16.46967713     12.62622151    -15.70275187
  H     15.74090109     10.91863323    -13.39451018
  H     14.74126825     12.91219482    -15.53720989
  O     15.81380124      7.88586385    -12.07256645
  H     13.76470051      5.09544175    -11.98287453
  H     13.45025174     13.76757382    -15.54002386
  O     13.88331595     10.91976952    -13.39742197
  H     14.23097921      4.71476669    -13.40307979
  H     12.38400306      8.09311252    -14.38550308
  O     18.50948800      8.19627108    -11.59476960
  H     16.17957487      7.75501247     -8.62120899
  H     13.84762167      8.17358246    -14.86792692
  O     17.69165393     10.76147984    -10.88464223
  H     16.97452535      6.47851523     -8.98307410
  H     16.57342637     10.33104204    -18.42271118
  O     18.05162797      5.08187439    -12.87765862
  H     16.59607485     11.96374037    -16.39209123
  H     15.49627416     10.30493120    -17.31354176
  O     15.87013035      4.61996626    -14.40230829
  H     16.70354961     12.18475169    -14.87356405
  H     10.69770195      6.29829175    -13.58016001
  O     12.26965830      7.74425793    -10.83227422
  H     15.58393173      7.71843020    -12.99463437
  H     12.19375656      6.04204704    -13.28450487
  O     19.36923513      7.34713176    -14.13274659
  H     15.23577447      8.58279020    -11.73476928
  H     14.96558465      6.55510623    -11.12389040
  O     13.77453763     12.87925757    -15.42192115
  H     13.53159902     10.14226544    -13.85576016
  H     14.91351745      6.08929264     -9.67506026
  O     13.02279947      8.68044519    -14.80636998
  H     13.73551198     11.67493429    -13.97887543
  H     18.58909785      6.77851746    -10.52937811
  O     16.45670638     10.33043676    -17.47653145
  H     17.55308469      8.10630634    -11.74955929
  H     19.27947012      5.71627912     -9.64238410
  O     11.52939567      6.74007156    -13.42997129
  H     18.94480105      7.99894714    -12.43197793
  H     15.58776301      6.39498541    -14.78231831
  O     14.46416377      5.98399746    -10.52347915
  H     17.13189655     10.54209752    -10.13072649
  H     16.18198330      7.83060526    -15.04993670
  O     18.46658337      5.91318796    -10.10282830
  H     18.18240959      9.94797192    -11.06674680
  H     15.59353274     10.14976968     -8.09869218
  O     15.39236355      7.34064597    -14.78662530
  H     18.55194082      5.79005510    -13.30141379
  H     15.19722500      9.76615046     -9.53979150
  O     15.90896251      9.70012239     -8.87963819
  H     18.11905144      5.22877246    -11.92741801
  H     17.27722660      9.43399182    -16.09996462
  O     17.54197230      9.04732059    -15.25533876
  H     16.63772160      4.71527676    -13.81056897
  H     17.30630951      9.69159760    -14.56888119
          69
 Energy    -248.80568731211366     
  O      9.92829137      9.89459546    -12.13594172
  H     10.89682529      9.92675791    -12.06562568
  H     17.64245634      6.86677761    -16.45714412
  O     14.39494398      7.52520536    -15.52494747
  H      9.59264204     10.65505806    -11.66837339
  H     16.96654561      8.62566936    -13.95489742
  O     17.27824835      9.90587203    -10.39708007
  H     15.00332222      7.77641916    -14.81219148
  H     15.81798769      9.00120075    -12.98566788
  O     12.89167686      9.78315846    -15.01488116
  H     14.92446850      7.50548983    -16.33135446
  H      9.77308252      7.99742709    -11.82868837
  O     14.63555853      5.58382838    -10.13913134
  H     16.58455780     10.24266273    -10.98660451
  H     10.87474737      6.95275851    -11.58062642
  O     12.84078364      5.75693690    -14.08145468
  H     17.41794489     10.57438960     -9.73024196
  H     19.66454931      5.40094474    -11.47841659
  O     15.28917006     10.62181470    -12.16595662
  H     13.36457394      8.98668496    -15.29463904
  H     18.40458619      5.87386343    -12.24052464
  O     16.81649845     10.23548839    -16.46064360
  H     11.94363637      9.61162340    -15.11291443
  H      9.37511302      5.68276256    -14.70240420
  O     14.88220366      4.29797035    -12.72275262
  H     14.56137642      5.10420669     -9.31830059
  H      9.94408289      6.47624304    -13.50080891
  O     18.57488585      9.12410936    -14.65282512
  H     15.43341331      6.13735956    -10.06807953
  H     19.40883201      7.94339560    -11.85216419
  O     16.27664804      7.79935444    -17.54610607
  H     13.35674436      6.31022267    -14.68573542
  H     18.76539026      9.28926551    -11.47291845
  O     18.34229937      6.64644911    -15.83104877
  H     11.91244503      5.84120239    -14.32986423
  H     16.74581738      6.59457284    -13.37611371
  O     16.14523716      8.29999888    -13.55665820
  H     15.29374246     11.09116127    -13.01045541
  H     16.39900307      5.08943008    -13.25225537
  O      9.94688182      7.04809661    -11.83754439
  H     14.36984838     10.36883207    -12.00017010
  H     16.96172849      8.05609668    -10.05062372
  O     19.02120418      6.10313424    -11.52352206
  H     16.19767949     10.74933606    -15.93190346
  H     17.64275670      6.71842960    -10.40031883
  O     10.07783963      6.27369057    -14.44430153
  H     17.54412208      9.99847373    -15.86525904
  H     14.13380649     11.04402452    -14.93661879
  O     19.42334161      8.88783302    -12.05264670
  H     14.13349799      4.63592479    -13.23105507
  H     14.63480989     12.49937470    -15.08953117
  O     17.12239062      5.70447529    -13.43734306
  H     14.77127574      4.63076223    -11.82350052
  H     12.82525735      6.56871626    -12.46691303
  O     16.86545140      7.10021100     -9.97299593
  H     18.69632672      8.25977884    -15.07578658
  H     13.36635129      6.55377529    -11.01020018
  O     14.89363209     11.63263611    -14.78487266
  H     19.00945367      9.10564029    -13.78862091
  H     12.75335937      8.74057373    -11.94014949
  O     12.75471444      7.00449703    -11.60469583
  H     16.46365108      8.70451056    -17.23615080
  H     12.75588793      9.68927405    -13.18103467
  O     12.69136445      9.66897422    -12.21480673
  H     16.36388282      7.81020163    -18.49533277
  H     10.15952680      8.14705336    -14.87251144
  O     10.25328320      9.10758127    -14.89878110
  H     17.92832572      6.14497504    -15.11601266
  H      9.96833081      9.42392842    -14.03281672
          69
 Energy    -248.80544616419064     
  O     -8.23103587      0.51189955      3.08320385
  H     -8.75766951      1.31695886      3.06774496
  H     -7.60985068      4.46116855      0.45741784
  O     -3.12530526      1.83020321      4.36191577
  H     -7.33124050      0.78003643      2.83289700
  H     -3.40667943     -0.78604576      2.49921733
  O     -9.32790715      3.14086195      2.97873488
  H     -3.25326997      2.34839567      3.55439032
  H     -3.19720288      0.00051012      3.81918497
  O     -6.75036497      1.58698771     -0.41943866
  H     -2.77250935      2.44381375      5.01853891
  H     -6.69856674      3.16229174      4.90735629
  O     -6.31741160     -1.22141228     -0.63967747
  H     -8.98119090      3.37685711      2.09938663
  H     -7.96204214      3.66234183      4.12519017
  O     -3.97624967      6.06839280      5.20887574
  H    -10.25237348      3.37452432      2.98193103
  H     -5.15576829      2.76802073      7.06120824
  O     -2.47323230      3.82590941      6.27492493
  H     -6.70822584      0.67738953     -0.73389228
  H     -5.35002157      4.21306111      7.54325690
  O     -7.05017740     -0.52368727      5.40578991
  H     -6.48906718      1.53419043      0.51398946
  H     -4.36840163      4.13053570      2.49957157
  O     -4.66095413      3.43590629     -0.57603942
  H     -6.72215393     -1.48631188      0.20736854
  H     -3.99638724      3.34276914      1.21606693
  O     -3.98038507     -0.41677211      0.77400179
  H     -6.48879516     -1.92622186     -1.25789590
  H     -7.10740209      6.13656205      7.04828637
  O     -7.30401596     -1.81888017      1.80076629
  H     -3.37373866      5.37375429      5.50068029
  H     -6.78062022      5.06083492      5.98839511
  O     -8.24954026      3.74907002      0.57098210
  H     -4.72566142      6.04010934      5.81806326
  H     -6.14022924      0.98074590      5.59557555
  O     -3.37131662     -0.87864346      3.46156679
  H     -1.71091435      3.90646300      6.84245055
  H     -4.85038294      1.72339248      5.10869728
  O     -7.17788661      3.95028316      4.60654026
  H     -3.24095499      3.67867756      6.85656231
  H     -1.81448881      1.82953152     -0.92705724
  O     -4.78252879      3.44074133      7.65036890
  H     -6.54064782     -1.24869514      5.02353476
  H     -3.29446619      2.23797495     -0.85144162
  O     -3.90777553      3.34430309      2.17651930
  H     -7.63210108     -0.21799212      4.69605703
  H     -5.16500553      0.58906464      1.80392135
  O     -6.39787607      5.60517699      6.69642562
  H     -5.08760860      4.28189460     -0.39448629
  H     -5.21671724      2.04922567      2.29452278
  O     -5.69398230      1.83918647      5.56262721
  H     -5.37599694      2.78773334     -0.66398577
  H     -5.22909078     -3.29161163      4.27173324
  O     -2.69196262      1.48187776     -0.78521192
  H     -4.66630375     -0.79513035      0.21069326
  H     -4.73246265     -1.90029135      3.81950332
  O     -5.76427474      1.27160213      2.13749530
  H     -3.46714018      0.19427006      0.22613467
  H     -5.89342117      5.70488852      1.31628976
  O     -5.52851871     -2.44622259      3.94773575
  H     -7.81688776     -1.10036932      2.19350901
  H     -6.18817304      6.59047987      0.08349850
  O     -6.12353673      5.68329167      0.37142209
  H     -6.70668594     -2.12461984      2.49534268
  H     -4.87543651      5.82370714      3.69261558
  O     -5.47764725      5.47296251      3.01937238
  H     -7.89165778      2.98903321      0.09319777
  H     -6.13796488      4.95039836      3.49629869
          69
 Energy    -248.80527501243120     
  O     11.70455861     10.94645271    -14.16178331
  H     11.33678366     10.55556893    -13.36123546
  H     15.94361618     11.56096962    -16.34691148
  O     16.26339326      6.90667121    -13.71986127
  H     12.08325212     10.20622819    -14.65633401
  H     15.83877451      8.63109607    -13.96729060
  O     17.50784623     10.76371051    -11.42945496
  H     15.54005181      6.79349532    -13.08631584
  H     16.18872761      9.98199783    -14.66468858
  O     17.50699101     10.94674695    -15.55335818
  H     17.03172756      7.19026649    -13.20380452
  H     11.17710662      8.55686267    -12.37161096
  O     14.86838635      8.76235998     -8.51779195
  H     16.62286224     11.09732461    -11.62547439
  H     10.06111439      9.20269916    -11.51385793
  O     14.32561662      6.96692201    -11.72858813
  H     17.52153672     10.46549091    -10.50708996
  H     18.30641410      7.24495549    -10.66753843
  O     14.95080364     11.44433401    -12.30867797
  H     18.06989150     11.29480089    -14.85067581
  H     19.12994473      6.47891144     -9.60834470
  O     16.62631434      7.40707292    -16.51000115
  H     18.02275696     10.27354218    -16.01672565
  H     12.28936484      7.64216211    -14.02784622
  O     15.61539968      6.07729305     -9.38036640
  H     14.99967654      7.82296840     -8.68859665
  H     12.70290804      6.92977656    -12.72418759
  O     18.93412848      8.78474641    -16.64106823
  H     14.32085669      9.08638844     -9.24624703
  H     19.66500739     12.40688819    -13.12975538
  O     20.07173372      8.95996809    -14.03172296
  H     14.70202685      6.54828528    -10.94534879
  H     18.63078715     11.36927555    -12.63563537
  O     15.02565521     11.62709644    -16.64529750
  H     14.10058478      7.87264755    -11.46933489
  H     18.96633935      8.29448775    -12.81615523
  O     15.53609241      9.53652909    -14.10949275
  H     15.14835606     10.71147863    -12.91786595
  H     17.88661593      8.99017381    -11.94573684
  O     10.91294435      9.37203162    -11.90655978
  H     14.53021042     12.11131505    -12.86177108
  H     16.55648197      9.40477090     -8.72942518
  O     18.26471077      6.84030442     -9.78368448
  H     15.86801958      7.90396697    -16.83982904
  H     17.87632250      8.69941409     -9.06741259
  O     11.93508982      7.23185041    -13.22623345
  H     16.40868806      7.08851707    -15.62449473
  H     14.68924086     10.02546775    -17.32078435
  O     19.18840713     11.62358910    -13.39164792
  H     16.55497408      6.29287974     -9.49295185
  H     14.35281623      9.15856170    -18.55552069
  O     18.24750568      8.12702523    -12.18861480
  H     15.57663623      5.28026195     -8.85702601
  H     13.96313212     10.27630173    -11.29494080
  O     17.47594335      9.57033770     -8.98889364
  H     18.13994622      8.22003939    -16.62588207
  H     12.59680377      9.55178657    -11.12667575
  O     14.54583162      9.11073009    -17.62295615
  H     19.38302384      8.60774085    -17.46303988
  H     13.22735929     13.70636076    -14.49981091
  O     13.52754840      9.52428388    -10.87265859
  H     19.94576363      9.89983004    -13.84846752
  H     12.87589172     12.21314778    -14.30813931
  O     13.61604128     12.84176544    -14.39498454
  H     19.77711878      8.82580310    -14.94156115
  H     13.37520235      8.76009728    -16.17692305
  O     13.11215921      8.78298410    -15.25033290
  H     14.54432469     12.05782129    -15.92955875
  H     13.90561862      9.08263514    -14.78177341
          69
 Energy    -248.80512710776327     
  O     15.14104802     11.73372816    -16.32153839
  H     14.67025566     12.56308959    -16.34867100
  H     18.29249490      8.08454135    -18.05095457
  O     14.43904818      4.88968527    -15.94130020
  H     14.54511990     11.08965527    -15.89834666
  H     16.62194898      8.58120938    -14.58745124
  O     18.26989120      7.97666853    -11.60374925
  H     13.98440940      4.07174236    -16.12302427
  H     15.81364402      7.94376677    -15.76991246
  O     17.49652126      6.65535554    -19.11571909
  H     15.33684833      4.80326851    -16.31033703
  H     13.50231005      9.54554481    -14.31044361
  O     13.96431753      8.22430700     -9.92178986
  H     17.63062165      8.56986633    -12.02993362
  H     13.61634808      9.06045793    -15.76799780
  O     14.60815209      6.03638573    -13.33695247
  H     19.04620370      7.98362538    -12.17981420
  H     16.14771973      3.86697607     -9.28893707
  O     16.49437831      9.46970547    -13.00988639
  H     17.81971530      6.36747592    -19.96682293
  H     15.25421790      4.83421065    -10.10366821
  O     18.33342270      5.92313059    -14.83186611
  H     16.63585508      7.07581526    -19.27090055
  H     14.44062507      7.66261833    -17.62179229
  O     13.72632592      5.47121594    -10.71007599
  H     13.62937408      8.69829168     -9.16545751
  H     14.17002408      6.62850212    -16.48776368
  O     19.66431189     10.26936934    -15.52264370
  H     14.90070367      8.02929196     -9.73630803
  H     19.66368871      7.23254384    -14.19832362
  O     16.93824509      4.81716880    -16.96332423
  H     14.51212989      5.59868362    -14.18937138
  H     19.95202759      8.74741180    -14.28297738
  O     18.33297480      8.83211741    -17.44587053
  H     15.51941970      5.89072996    -13.04316070
  H     17.56955269      6.37923850    -12.06092698
  O     16.69834223      8.08793483    -15.41469267
  H     15.54406839      9.37999527    -12.87227683
  H     16.94116858      5.07059683    -11.52249798
  O     13.52968687      9.85528732    -15.22454592
  H     16.70098984     10.33064112    -13.40283752
  H     17.23834685      7.72394685    -10.06446277
  O     16.17480571      4.62915377     -9.86027161
  H     17.75642392      6.67416703    -15.04302775
  H     16.52590264      6.50384843     -9.44645454
  O     14.22567046      7.57237835    -16.68585212
  H     18.02623816      5.59383412    -13.97583237
  H     15.80768528     10.85099069    -17.80012546
  O     20.06240024      7.97163470    -13.72203503
  H     13.63944364      6.37186400    -10.37311286
  H     17.01696613      9.96562270    -18.18331989
  O     17.17204611      5.53784143    -12.33374206
  H     13.87231516      5.56568433    -11.66129000
  H     13.78321958      8.61945064    -11.73738022
  O     16.53502818      7.46845632     -9.45213699
  H     20.46934996     10.69938323    -15.80336675
  H     14.06991131      7.75663560    -12.98779874
  O     16.17611843     10.31061461    -18.51099729
  H     19.32055848      9.79099027    -16.29462601
  H     18.12185007     11.24360104    -14.85376905
  O     13.85488257      8.65658884    -12.69945176
  H     17.17074230      5.37490683    -17.71355549
  H     16.66750243     11.69566444    -15.17849798
  O     17.31509369     11.60681663    -14.46805795
  H     17.54492649      5.05984618    -16.24871992
  H     14.45143751      8.16540847    -20.07601405
  O     15.07131094      8.02804768    -19.36486700
  H     17.74866773      8.59981339    -16.70310222
  H     15.41648754      8.90599353    -19.11304549
          69
 Energy    -248.80510657351854     
  O     12.03821736     10.91990164    -15.57134852
  H     12.59574222     10.26378610    -16.02174603
  H     15.54841245      5.96512810    -14.76630978
  O     15.73854592      6.87343799    -13.18827333
  H     11.92721087     11.63710235    -16.19002948
  H     19.79302356      7.67873723    -14.26600137
  O     17.40098137     10.41400379    -11.30837249
  H     16.54818185      7.05938275    -12.69359008
  H     21.07742727      7.50155939    -13.42031566
  O     17.64304103     10.12057191    -15.68657372
  H     15.00174171      6.89841304    -12.56258964
  H     14.68922851      9.18063316    -15.15576978
  O     12.66322101      6.43991468    -16.09826044
  H     16.60993806     10.78135387    -11.72269092
  H     15.45669628      8.44119952    -14.01430956
  O     14.10342381      9.51168932     -8.68836399
  H     17.24314711     10.41273949    -10.35548808
  H     11.39150810     10.31996569    -14.05631882
  O     13.59386190      7.20113738    -11.46402178
  H     18.24477949     10.43447132    -14.99601437
  H     10.13401686     10.18154726    -13.16582914
  O     15.09722487     11.32950027    -12.64433476
  H     16.83940660      9.83923231    -15.22729923
  H     17.06105285      8.24284608     -8.83893394
  O     17.17693573      6.33370036    -17.51479063
  H     11.99681423      5.89195395    -16.50391095
  H     17.40748783      7.29527412    -10.00160993
  O     14.40534261      6.65625010     -8.84686934
  H     12.33703092      6.66752249    -15.20867054
  H     11.48200171      8.08408172    -13.53211930
  O     18.99386114      7.65437528    -15.78453164
  H     13.64341518      9.74803552     -9.50458501
  H     12.38643763      7.02705114    -12.87449732
  O     15.36041421      5.63207543    -15.65477867
  H     14.07474346      8.54826620     -8.63400878
  H     18.71955965     10.65390505    -12.67593454
  O     20.18229384      7.82608089    -13.38390353
  H     13.46344506      8.15787663    -11.39756710
  H     19.71038294      9.73289246    -13.40568973
  O     15.27840358      9.30843811    -14.40242118
  H     13.80189544      6.88892176    -10.57495356
  H     18.75856005      7.64376011    -12.24273569
  O     11.05172345      9.92926870    -13.23266667
  H     15.06655905     12.16259081    -13.10778323
  H     17.74288478      8.64339045    -11.62778676
  O     17.01336223      7.32075887     -9.11912284
  H     15.13867483     10.63006567    -13.32204953
  H     15.78164678      9.98941296     -8.59346831
  O     11.82681947      7.19093273    -13.64492918
  H     17.30681267      5.61077255    -18.12196281
  H     16.94613868     10.63411878     -7.80317051
  O     19.25820492     10.58265764    -13.47401353
  H     16.52861832      6.03273501    -16.85219279
  H     16.49845293      8.08068761    -17.82851962
  O     17.93839009      7.70110714    -11.73627428
  H     15.36404678      6.80973990     -8.93343177
  H     16.72374785      9.50201072    -17.27927779
  O     16.74380884     10.14117767     -8.59371741
  H     14.29402248      5.95022055     -8.21655099
  H     12.32056991      9.99889820    -11.87018757
  O     16.12569018      8.97185928    -17.82138127
  H     18.57346993      8.52477785    -15.82076267
  H     13.77470259     10.49569537    -11.69255709
  O     13.08490492      9.95711912    -11.28179653
  H     18.47870628      7.09513313    -16.37562965
  H     13.32155227      8.10050169    -16.58988426
  O     13.65859310      9.00259897    -16.65839886
  H     14.42930939      5.81899290    -15.82049542
  H     14.47298300      8.99193225    -17.18548867
          69
 Energy    -248.80468861109057     
  O     17.06853010     10.83796637    -14.98123561
  H     16.48286761     11.55479275    -14.71136673
  H     16.68206393     12.38351005    -10.90638582
  O     15.12372629      6.52013943    -11.39766844
  H     17.52035375     10.55010161    -14.17660237
  H     14.98304348      9.72628095    -11.27814418
  O     11.54996258      9.06141881    -12.77942691
  H     15.18913887      5.93203289    -12.15968913
  H     15.31076686      8.28775080    -11.81459909
  O     14.11525249     10.84473536    -10.08689925
  H     14.18051190      6.62786935    -11.21217503
  H     16.76530745      8.67510025    -17.23766182
  O     19.01305314      7.23334278    -12.69758970
  H     12.24587527      9.65288700    -13.10301256
  H     16.60002018      9.43606307    -15.90409551
  O     13.70296970     10.47828164    -13.78964875
  H     11.27955164      8.53231811    -13.53912660
  H     12.28044083      5.79897298    -12.58375249
  O     16.98217589      9.27990967     -8.74676155
  H     14.30753859     10.47951626     -9.21644729
  H     11.97429370      6.02710865    -14.07806928
  O     15.03629794      4.89613390    -13.71859780
  H     13.15568633     10.79288482    -10.20332919
  H     16.84007156      7.27055166    -15.17133657
  O     14.54929016      9.39474108     -7.67350382
  H     19.83143547      6.81260196    -12.94534969
  H     16.38438286      6.03519609    -14.35090343
  O     17.60163521      7.01809737    -10.19289837
  H     18.35037798      6.97231906    -13.36368749
  H     11.48219585      9.57543485     -9.63475970
  O     12.21256612      8.10331402     -8.51255333
  H     14.08582791     11.35495705    -13.90283433
  H     11.26622239      9.92795369    -11.12408885
  O     15.84102606     12.69000599    -11.26420616
  H     14.33428189      9.98024067    -13.24661328
  H     12.15255097      7.73636066    -11.65391158
  O     15.37023665      9.23060238    -12.01311160
  H     17.40431367     10.01977986     -9.19492753
  H     12.30244899      7.27612184    -10.17992223
  O     16.36053135      8.61820162    -16.37578183
  H     17.25852733      8.47559345     -9.21151591
  H     10.66965757      7.42273592    -15.81246714
  O     12.39092364      5.41142747    -13.46141032
  H     14.07646716      5.05788839    -13.71438714
  H     12.12187556      7.83373942    -15.46690953
  O     17.13288432      6.61872348    -14.52283463
  H     15.15023675      3.94908611    -13.73606173
  H     19.08371537     11.72783529    -10.16748383
  O     11.41713522     10.31461588    -10.25077802
  H     15.45185359      9.27864306     -8.02625275
  H     18.23577259     10.85499753    -11.12175494
  O     12.41631168      6.99136251    -11.09425830
  H     14.64585305      9.81897473     -6.82465063
  H     13.58743312      9.38593053    -15.24557238
  O     11.30685016      7.43969025    -15.10391252
  H     16.73272517      6.73716861    -10.51199488
  H     14.47423066      8.54309771    -16.16703381
  O     18.20345743     11.38849372    -10.30840892
  H     18.16546373      7.04104103    -10.97423565
  H     15.50210408     12.81131456    -12.96244297
  O     13.55696688      8.68043900    -15.90772624
  H     11.79306593      7.72612556     -7.74262740
  H     15.12382354     13.71225364    -14.16063822
  O     15.27416047     12.80508016    -13.90980876
  H     13.04824121      8.49280468     -8.21018935
  H     18.46771892      8.98365965    -12.59573500
  O     18.00198642      9.82660937    -12.53191267
  H     15.16405952     12.16232025    -10.81750354
  H     17.06944100      9.61716013    -12.35779243
          69
 Energy    -248.80466356943305     
  O     12.24662909     12.27738861    -13.06183526
  H     13.09374634     12.42294168    -13.51573309
  H     16.71389550      5.74479441    -13.54189319
  O     18.90200558      9.60880343    -12.47169058
  H     11.87951723     13.13920492    -12.88126716
  H     13.25290921      9.92879403    -17.55304437
  O     15.53399653     10.19677676    -11.36190149
  H     18.73710930      9.80067687    -13.40112785
  H     12.17255068     10.59632175    -16.65799615
  O     11.32441414     10.41620043    -15.08077152
  H     18.60196641     10.38348315    -11.98070074
  H     16.37750629      9.85670170    -14.45784531
  O     14.11820152      7.63254225    -15.01024719
  H     15.55491256     10.05935438    -12.32329274
  H     15.02694023      9.07399340    -14.40942609
  O     14.92346068      5.96543216    -12.94645625
  H     16.23153706     10.82977739    -11.16004578
  H     13.74642259     12.09090209    -17.34151744
  O     18.58012503      7.16227856    -11.34412393
  H     11.34595074      9.58357854    -14.59294021
  H     14.23256367     13.47922790    -17.83332513
  O     14.62148711     12.43708096    -14.44915076
  H     11.52486955     11.09962752    -14.43118776
  H     12.85311504      8.36389879    -10.39645551
  O     18.64662753      7.54201189    -15.65997628
  H     14.51559176      6.98072797    -14.41740683
  H     14.05025782      7.41943168    -10.15711809
  O     15.84446695      7.50963109    -10.79072821
  H     13.27326951      7.87195414    -14.60333315
  H     17.55468085     10.43628033    -16.00861507
  O     16.42724194     10.75298701    -17.30455399
  H     14.03016804      5.69444784    -12.70409416
  H     18.31500837      9.23400948    -15.39097072
  O     17.64914492      5.89715522    -13.72264993
  H     15.24069270      6.51548090    -12.21454565
  H     16.46521892     12.74507380    -14.04633548
  O     12.72688941     10.72870268    -17.44187101
  H     19.36683280      6.94515987    -10.85133044
  H     17.73830591     11.93686197    -14.38220170
  O     15.49770985      9.83886970    -14.05952136
  H     18.73365102      8.03448124    -11.75026989
  H     18.14469824     12.60750206    -10.71383821
  O     14.41400577     12.78941096    -17.20189477
  H     14.85504657     11.49834631    -14.38019857
  H     17.64426162     12.28871357    -12.14441220
  O     13.08529144      7.46838235    -10.12009275
  H     14.53448194     12.64171628    -15.39021341
  H     13.73009540     10.11232932    -11.33964434
  O     18.02437042     10.14248384    -15.21021563
  H     19.25228240      7.03576956    -16.19477628
  H     12.47299162     10.80165079    -11.89715188
  O     17.40198771     12.65168461    -13.82903365
  H     18.27858939      6.92091791    -15.00966625
  H     12.21225051      8.78982582    -12.75453862
  O     17.75356614     11.92206207    -11.24804972
  H     16.78665023      7.30525275    -10.83178717
  H     11.84485605      7.31326156    -13.04112467
  O     12.77780665      9.99184726    -11.46957707
  H     15.77356423      8.46483638    -10.93417139
  H     12.47565134      6.29738453    -11.26400458
  O     11.90292491      8.18655249    -13.44636389
  H     15.85885852      9.98455306    -17.44415339
  H     11.65201633      5.05996181    -11.69932275
  O     12.22858767      5.74410911    -12.02792655
  H     15.84567635     11.52094717    -17.34200102
  H     14.43684676      8.15046461    -16.68330812
  O     14.59588207      8.55257468    -17.55296767
  H     18.02573961      6.22922843    -12.89756581
  H     14.67594780      7.83297298    -18.17446719
          69
 Energy    -248.80378438450958     
  O     12.65267536     11.69242365    -16.03643799
  H     13.37141364     11.90731948    -15.43489695
  H     18.31976044      8.80964092    -12.26323548
  O     15.28988540      7.34665690    -13.05872644
  H     11.93523544     11.38088295    -15.46379908
  H     17.28345263     10.52108312    -16.26853542
  O     16.46532014     11.51384662    -11.76949295
  H     15.20893771      8.00587807    -13.76643781
  H     16.79750549      9.50852362    -17.38799213
  O     17.10104802     12.04389635    -15.34221323
  H     15.84137109      7.75033202    -12.37468018
  H     14.24536635      8.83507510    -15.61047253
  O     12.86224505      7.97183407    -16.56767922
  H     17.33439477     11.73967404    -12.12234181
  H     15.76096144      9.23572606    -15.62902436
  O     12.72960712      7.88504755    -12.18113251
  H     15.84286849     11.59824576    -12.50456071
  H     11.40174990     10.79617112    -13.33264966
  O     14.60820537     11.59301729    -13.88044157
  H     17.76311903     12.04232708    -14.63777633
  H     10.85421453      9.68935793    -14.24975460
  O     16.41529526      6.05010640    -15.29778307
  H     16.24894475     12.14307389    -14.90424248
  H     15.46841370      8.41140859     -7.91747154
  O     12.76039447      7.68547281     -9.43426543
  H     13.48230589      7.32212840    -16.92628251
  H     14.36656055      8.25256365     -8.98997280
  O     18.74953245      7.66047620    -15.35893625
  H     12.78127726      8.68922772    -17.21180983
  H     11.71135219      7.80258315    -15.23823214
  O     14.91708136      6.37101992    -17.53270945
  H     12.12641084      7.76330066    -12.92403547
  H     10.38186951      7.20717070    -14.72055601
  O     18.99526416      9.08558007    -12.89587081
  H     13.60746209      7.59575507    -12.46990216
  H     19.74597806     12.16930214    -12.95190009
  O     17.30859733      9.60103974    -16.57056685
  H     13.90355082     11.43666285    -13.23462259
  H     19.01133022     10.81139345    -13.08306729
  O     14.97284747      9.16943018    -15.07390292
  H     14.75774930     10.73448844    -14.30950085
  H     16.62590970      9.71944198    -11.39596597
  O     10.91462141     10.64649530    -14.15420627
  H     16.01323338      6.29059765    -14.45304958
  H     16.33217742      8.64199587    -10.33018463
  O     15.23791374      8.64661236     -8.81259484
  H     17.27565524      6.48843087    -15.30830617
  H     14.67385347     10.43301490     -9.37564542
  O     11.11150617      7.77027478    -14.47397111
  H     12.68083577      7.69230960    -10.40171642
  H     15.18546650     11.49642204    -10.35858207
  O     18.89968617     11.77747762    -13.14845873
  H     11.89783355      7.91917664     -9.09909742
  H     14.72358445      9.46826650    -18.54142625
  O     16.74789424      8.78106132    -11.18982511
  H     19.55134070      7.48001025    -15.84364943
  H     15.37484032      8.08059678    -18.34165992
  O     14.41432708     11.23990283     -9.83487595
  H     18.28861200      8.37533071    -15.83426880
  H     13.20661365     10.96691708    -11.17234704
  O     15.56593490      8.99810562    -18.57311481
  H     14.94780687      5.55877000    -18.03115093
  H     12.78227678      9.75508034    -12.03854365
  O     12.76123597     10.72029743    -11.99545550
  H     15.46331471      6.23106487    -16.73833705
  H     12.47191253     10.56677832    -18.95496238
  O     12.97238060     10.18815381    -18.23742699
  H     18.91093885      8.51634007    -13.66984813
  H     12.87955419     10.79621435    -17.48068025
          69
 Energy    -248.80368420489526     
  O     15.72273706      9.52431729    -16.02500089
  H     14.85346740      9.87770939    -15.80085318
  H     16.68625831     10.24905528    -17.31310405
  O     14.59794788     13.11309476    -15.50701617
  H     16.15835120      9.33490802    -15.18641031
  H     15.94868349     12.87578364    -11.17987831
  O     19.56962348     12.42305522    -11.79470451
  H     13.96683382     12.38975523    -15.41586780
  H     14.98639247     12.61638786     -9.99855865
  O     14.42598031     10.27093866    -12.64474262
  H     15.41647552     12.79258736    -15.09806387
  H     19.14281277     16.36288537    -13.10922854
  O     17.67734132     10.46979611    -10.98676973
  H     20.21176798     13.08912439    -11.51707849
  H     20.56930136     16.41265006    -13.68257423
  O     17.08879629      9.48512239    -13.45134191
  H     19.87568312     12.07857219    -12.64528861
  H     20.02929771     11.80356377    -15.03394326
  O     15.70867541     13.16153150    -18.14499907
  H     14.65135514     10.94323034    -11.98957543
  H     21.28759360     12.21597683    -14.21428330
  O     18.98454508     15.01713518    -16.25899545
  H     15.24888708      9.80850747    -12.84268192
  H     16.08166552     15.92113822    -16.88073493
  O     21.32341268     14.54987182    -11.35119997
  H     18.40889728     11.08677837    -11.12592419
  H     16.39516738     14.83834425    -17.92505543
  O     18.76974830     12.26850943    -16.23940713
  H     16.92100437     11.00041643    -10.71065027
  H     21.78147661     16.53099579    -15.99215737
  O     13.26115242     10.69357085    -15.05147615
  H     17.29132565      9.72830096    -12.53304402
  H     20.52975028     15.65496225    -15.75347673
  O     17.22391627     10.70844323    -17.98161145
  H     17.93225886      9.19843561    -13.83279430
  H     16.63844795     15.90967063    -14.30100900
  O     15.38095075     12.20522381    -10.76360812
  H     15.23165763     13.10274631    -17.30735355
  H     18.05561484     15.46222801    -14.71589432
  O     20.07072088     16.42995163    -12.85453992
  H     16.21889521     12.34660402    -18.20884909
  H     22.13769382     13.94573396    -13.01571292
  O     20.58023234     11.55781247    -14.27699691
  H     18.25859182     15.33901734    -16.81502038
  H     22.07892534     14.43075577    -14.47250508
  O     16.70644167     15.68779423    -17.57521749
  H     18.98719608     14.05300538    -16.32907482
  H     20.29475519      8.30623170    -14.33589263
  O     21.35557247     15.97233489    -15.34737954
  H     21.78508054     14.95383271    -10.62165307
  H     20.06232756      9.82625839    -14.31358478
  O     17.52704998     15.75169597    -13.95848211
  H     20.85115019     15.26359279    -11.81686023
  H     16.91764164     11.26135834    -13.99181637
  O     22.30083887     13.66727736    -13.92490937
  H     18.40007421     11.72870740    -16.94763564
  H     16.98301480     12.73508947    -13.48840697
  O     19.60965602      8.96922748    -14.36567647
  H     18.08996978     12.29205923    -15.54688597
  H     14.17060665     16.30283993    -15.13312850
  O     16.88126340     12.18401881    -14.27354641
  H     13.58789387     10.55335777    -14.14412572
  H     14.76735034     14.88807143    -15.30348997
  O     14.99481905     15.82789271    -15.20396238
  H     12.40453898     10.27861284    -15.10431229
  H     18.06701353     13.40569754    -11.89606162
  O     17.19715791     13.81087169    -12.03236569
  H     17.38421791     10.08070202    -18.68125085
  H     17.30903777     14.56865288    -12.62263839
          69
 Energy    -248.80353200232213     
  O     17.14195787     10.27899543    -12.54995122
  H     16.80886035     11.09727588    -12.16217238
  H     12.44500118      7.89160811    -10.84618066
  O     16.32681760      8.80197971     -6.89864855
  H     17.48849182      9.77154024    -11.80509179
  H     12.80074791     12.43005510    -11.50697768
  O     15.14686740      5.43492679     -8.87829716
  H     17.17810979      8.41968815     -7.14334489
  H     13.54438274     11.80629893    -12.70581212
  O     12.02775183      8.12825306     -7.95379129
  H     16.21961596      9.59211638     -7.44303246
  H     15.18424428      6.66809557    -12.69204461
  O     17.83250827      5.09016664     -8.40678191
  H     14.80455663      5.93366874     -8.12460451
  H     15.11454456      7.41434152    -14.02642265
  O     14.32490894      6.98659434     -6.69861767
  H     14.39108544      5.09969406     -9.38168104
  H     18.46350052      6.68946627     -8.06203171
  O     17.65913687      8.98264590    -10.10993410
  H     12.36535405      9.00765542     -8.17362292
  H     19.58311413      7.57381959     -7.46209692
  O     16.12749117     12.53298297    -11.09954227
  H     12.74150024      7.69615349     -7.46995397
  H     14.26063507      9.88405668    -14.14879176
  O     10.38264089      9.68535175    -11.66303612
  H     16.87482020      5.12300820     -8.56406355
  H     12.69866317      9.85259889    -14.02545494
  O     15.93194928     10.82225027     -8.85866474
  H     18.13641667      4.28052259     -8.80929733
  H     12.94040024      6.59495068    -13.40292432
  O     13.80511804      8.96725699    -11.19499396
  H     15.01704748      7.67049501     -6.73729830
  H     11.77766983      6.73099824    -12.37440946
  O     11.69738733      7.35290021    -10.53834067
  H     14.27818947      6.69526489     -5.79136058
  H     10.55187809      8.84281943    -15.10837127
  O     13.59939380     12.50763369    -12.04133144
  H     18.17065807      8.54879305     -9.41708646
  H     11.38614381      8.06161918    -14.06293242
  O     14.72723373      6.67451835    -13.54439392
  H     17.05036751      9.59169610     -9.66595310
  H     10.53351737     12.50770597    -10.22288512
  O     18.73725212      7.60911059     -7.90083740
  H     16.47308817     13.41775222    -11.18324908
  H     10.92078235     11.17217607    -10.89676710
  O     13.50359192     10.25905668    -13.68018401
  H     15.20606576     12.56218840    -11.41520720
  H     12.95201364      4.56540017    -11.39145963
  O     11.97385680      6.61217658    -13.31055217
  H     10.62550555      8.86882230    -11.21165754
  H     12.46601296      5.65286726    -10.42933009
  O     11.11401695      8.95337243    -14.34674642
  H     10.52428901      9.51770280    -12.60240147
  H     16.39381894      9.18463003    -15.40743983
  O     11.28031810     11.96412086    -10.45907234
  H     16.08409861     11.49012380     -9.53956573
  H     16.36267569      9.50446188    -13.89496208
  O     12.99162065      4.84162264    -10.47663148
  H     14.96897801     10.74264350     -8.79161943
  H     13.44834895      9.94818004     -9.78101044
  O     15.85705491      9.10068088    -14.62405859
  H     14.55597736      8.35990275    -11.20075559
  H     12.53144637     11.10197846     -9.33196662
  O     13.19156165     10.47859077     -9.00756950
  H     13.74599519      9.40036553    -12.05454451
  H     15.62439780      6.52827839    -10.28294264
  O     15.84703590      7.10098447    -11.02732864
  H     11.64370020      7.51688407     -9.58389969
  H     16.55709846      7.68823863    -10.73727511
          69
 Energy    -248.80347114027290     
  O     17.94158037      4.92272653    -11.16755296
  H     17.35328347      4.19199173    -10.95149516
  H     11.24037256      7.39041239    -13.66329723
  O     14.13889205      8.44113394    -11.67479060
  H     17.84206003      5.10696416    -12.11102444
  H     14.75149155      5.49094068    -10.75401531
  O     14.41532842      9.67297588    -15.99192218
  H     13.84979117      8.66723823    -10.78322765
  H     14.69896756      5.21434675    -12.30542386
  O     18.28180945      7.44650541    -10.20439302
  H     14.22906869      7.47312742    -11.67786643
  H     14.65830924      2.90434918    -12.99390190
  O     15.12987516      5.00046147     -8.99321156
  H     14.29372546     10.52034440    -16.41150311
  H     13.33809881      2.39096049    -12.38756559
  O     16.09844897      2.75900752    -10.36648553
  H     15.31357387      9.67234040    -15.61429341
  H     14.44846193      8.28115540     -8.72372783
  O     12.87595560      8.22015161    -14.13584414
  H     19.19594920      7.56756411     -9.96142093
  H     13.31966925      9.24679928     -8.29089522
  O     15.10986569      7.10635916    -17.07828422
  H     18.18344172      6.51330504    -10.46608920
  H     12.01460522      5.63830859     -9.45998492
  O     16.93120379      9.44682905    -15.00691589
  H     15.35234152      4.10605287     -9.27459963
  H     12.73786085      6.76933704     -8.70592990
  O     17.72125229      7.01301153    -16.34128244
  H     14.18562200      5.06684053     -8.78106809
  H     17.36228309      8.21949114    -11.62792772
  O     17.42982305      6.00588073    -13.74539927
  H     16.50286558      1.93740161    -10.09948093
  H     15.91772151      8.52743980    -12.12047820
  O     10.56029206      6.77526646    -13.35652000
  H     15.43736790      2.53447845    -11.04392084
  H     16.82381184      7.65736779     -9.00707158
  O     14.34112137      5.75058866    -11.58875184
  H     13.31314825      8.79665923    -14.77495124
  H     15.78294650      6.62334356     -8.55692855
  O     14.29336495      2.28553984    -12.34248663
  H     13.27834966      8.39860833    -13.27404440
  H     11.16799139      5.89949768    -11.89820142
  O     13.53783309      8.56783882     -8.92383209
  H     14.81546140      8.00142119    -16.86821498
  H     12.57828356      5.46915429    -11.39802770
  O     12.52412078      5.82884612     -8.66181291
  H     14.49822521      6.51939122    -16.61452962
  H     14.59356501      4.81623156    -14.44724481
  O     16.83286704      8.41451863    -12.41123215
  H     16.96600324      9.21020605    -14.06961749
  H     16.04943133      4.87891167    -13.89929688
  O     16.01011563      7.56408404     -8.50021541
  H     17.34739405      8.71654967    -15.48017660
  H     11.47326349      3.70932980    -11.97612542
  O     11.62923053      5.30454992    -11.28945596
  H     16.80160503      6.98451174    -16.66204013
  H     10.85913039      2.29053042    -12.02443267
  O     15.22466480      4.37615791    -13.86051537
  H     18.28177289      6.86408455    -17.09768386
  H     11.14549583      3.73652088    -14.10428674
  O     11.44017949      2.88457335    -12.49354210
  H     17.17445980      6.82182021    -13.29134563
  H     10.42003860      3.81756887    -15.46490755
  O     10.99529150      4.30228099    -14.87748678
  H     17.65505490      6.25982203    -14.64909874
  H     12.54869912      5.23510979    -15.30073988
  O     13.36091312      5.75276899    -15.34719807
  H     10.55938527      6.04268106    -13.98298553
  H     13.19481810      6.58771716    -14.88451415
          69
 Energy    -248.80333826541971     
  O     13.62235083     10.07546594    -10.59822825
  H     14.18418939     10.59995209    -11.19647284
  H     13.46416876      6.34890558    -15.27326375
  O     15.47928918      5.02361775    -12.38473698
  H     13.27491723     10.68152500     -9.94893778
  H     19.30245484      6.61032921    -15.73715957
  O     15.02622031     11.44127993    -12.49787410
  H     16.20876357      4.84258969    -11.77907231
  H     18.23318080      7.47392430    -15.02862668
  O     17.84223246     10.89234678    -12.74098776
  H     15.77643742      4.84078593    -13.28980421
  H     14.80560443      8.04616552    -16.23990738
  O     10.78417965      7.68342809    -16.10441961
  H     15.97637979     11.35088203    -12.63179948
  H     15.99217597      9.01926310    -16.00227071
  O     16.79527726      7.04145312     -9.15411728
  H     14.60892055     11.36018000    -13.36493471
  H     15.50034464      6.83321106    -12.76671725
  O     12.16917880      6.46603854    -13.95914898
  H     17.80085500     10.16765012    -12.09033712
  H     14.63087778      8.11921109    -12.94097922
  O     13.62131549     10.71842053    -14.90177655
  H     18.54507639     11.47371096    -12.46343760
  H     13.58320185      6.75811231    -10.34608165
  O     13.14738887      9.29867426    -18.38092863
  H     11.19082478      7.25061408    -16.86535805
  H     13.91511179      8.24084190    -10.03443046
  O     16.28124138      4.91037206    -14.97165586
  H     11.09332884      7.19460352    -15.33090439
  H     18.23808574      5.29782698    -11.22169742
  O     17.28903342      8.94951818    -14.70750868
  H     17.06273404      6.18594494     -9.50731219
  H     18.22079610      4.00598759    -10.36965323
  O     14.09356395      6.37285165    -16.00790418
  H     15.83486891      7.09625939     -9.27696711
  H     13.83410848      5.08505258    -11.80989395
  O     18.62887146      6.58719588    -15.06165986
  H     12.27429442      5.89348644    -13.19138516
  H     12.64475972      4.49420021    -11.01803145
  O     15.13000740      8.93936042    -16.42821766
  H     12.34123368      7.36032601    -13.62127010
  H     16.73063445      8.41026131    -11.76297593
  O     15.53045081      7.77550598    -12.97625587
  H     14.20114291     10.15489674    -15.43439215
  H     17.34461690      8.24485466    -10.36160471
  O     14.09316360      7.33202918     -9.76531762
  H     12.78756505     10.76937705    -15.38752184
  H     18.62617439      7.32521993    -11.91661399
  O     17.67006575      4.71887482    -10.68125366
  H     13.95226363      9.27749918    -17.84396415
  H     18.95418476      6.48121066    -13.17552121
  O     12.92091364      5.25787774    -11.51897903
  H     12.49993421      9.78378702    -17.85488153
  H     12.66798316      7.60578151    -18.42048868
  O     17.47646776      8.68928772    -11.21155164
  H     15.57706314      5.38332666    -15.43642759
  H     12.24968464      6.27801512    -19.09931884
  O     19.02023918      6.49470881    -12.21393684
  H     17.09038502      5.42153836    -15.08836814
  H     10.47314121     10.81269768    -16.55961968
  O     12.40643878      6.68285813    -18.25093543
  H     17.59363322      9.70857448    -14.19735263
  H     11.05739469      9.41361713    -16.25750021
  O     11.29263423     10.34341600    -16.42788115
  H     16.63146338      8.49827752    -14.14997973
  H     13.09554152      9.54613247    -13.63980709
  O     12.91318229      8.86505532    -12.97768845
  H     13.57164034      6.32153904    -16.81873716
  H     12.96981947      9.28293446    -12.10951015
          69
 Energy    -248.80328490879913     
  O     16.03335677     11.20034249    -15.72321402
  H     15.96198093     12.15144045    -15.70479246
  H     15.75666347      3.34709033    -17.95105826
  O     13.56065327      5.27300112    -15.97091793
  H     15.13328133     10.84361383    -15.60247132
  H     20.26867658      6.30837181    -15.10292060
  O     18.07282688      7.34568573    -12.24130261
  H     13.50726515      6.14188272    -16.39245108
  H     19.13128485      5.47582584    -15.71764901
  O     18.59200800      7.94398038    -17.30517641
  H     14.23593939      4.79233306    -16.46313509
  H     16.54524006      8.03580336    -14.94739568
  O     16.76811007      6.21421410    -18.87861488
  H     18.98065656      7.26937118    -12.56308894
  H     16.73705197      6.56520042    -15.45903331
  O     14.23837781      8.39251852    -10.03149917
  H     17.69164295      8.12131487    -12.67042536
  H     13.61669543      9.26681217    -15.86872545
  O     14.07354044      5.94784994    -13.36290721
  H     19.20002588      7.26584053    -16.97145597
  H     13.72283979      9.58084224    -14.35764142
  O     16.80802342      9.43348619    -13.71818234
  H     17.76299462      7.81379908    -16.81539611
  H     15.63725935      3.71314144     -9.45400244
  O     17.43963680      4.88051289    -15.27888207
  H     16.16463863      6.89890064    -19.19482241
  H     14.84963149      4.81988759    -10.19855793
  O     13.40452968      5.69668889    -10.65262667
  H     17.54120178      6.68416575    -18.55045967
  H     14.20669225      8.04759221    -17.90910769
  O     19.46751488      9.38669620    -14.93046238
  H     14.04490648      8.94173868     -9.27676361
  H     14.84576303      7.67499643    -16.55197836
  O     15.78617922      4.12669073    -17.40233213
  H     15.12581896      8.01706726     -9.88857846
  H     20.31187420      8.15126949    -13.99394916
  O     19.92553907      5.98240407    -15.94208603
  H     13.81798675      5.66049309    -14.25086548
  H     21.48270747      7.55598849    -13.17433750
  O     16.41399754      7.44505395    -15.69660108
  H     14.94684620      5.57892106    -13.17764127
  H     16.39204401      4.64595298    -11.78048963
  O     13.68050066      9.99153469    -15.23026719
  H     15.95683048      9.19957888    -13.31270360
  H     17.14860889      5.78702643    -12.50879550
  O     15.74051650      4.45789118    -10.03951147
  H     16.61450884     10.13086040    -14.36125605
  H     17.25743350      7.28095683    -10.52798675
  O     13.99629594      7.84717116    -16.98994613
  H     16.85563520      4.45178127    -15.91781439
  H     16.45842969      6.22153958     -9.74210568
  O     20.59699434      7.37530117    -13.47885962
  H     17.13548036      4.68578495    -14.38232888
  H     17.65697541      9.44494512    -18.01188563
  O     16.62330272      4.98626549    -12.65332662
  H     13.50039885      6.61348919    -10.36840413
  H     16.65743542     10.44649569    -17.38185806
  O     16.65590103      7.16595596     -9.78159536
  H     13.43321685      5.71872209    -11.62001880
  H     14.22195639      7.70754689    -13.07412023
  O     16.91427887     10.02908186    -18.21280399
  H     18.62383444      9.54519025    -14.49310400
  H     14.24141862      8.67492741    -11.86086228
  O     14.36393858      8.63132969    -12.81692071
  H     19.25304809      9.02885742    -15.80086598
  H     15.73754565      9.08989147    -19.10310205
  O     15.11979042      8.45388468    -19.50707601
  H     16.11924622      4.84950371    -17.96305762
  H     14.83833557      8.82951890    -20.33665539
          69
 Energy    -248.80308755919665     
  O     19.78812172      9.87383376    -14.51649378
  H     18.93359783      9.74847701    -14.94612562
  H     19.58631170      4.08040131    -13.90116578
  O     21.80401133      7.00741246    -11.23821864
  H     20.11513703      8.98576605    -14.30896604
  H     18.88618989      6.99106673    -12.88056030
  O     15.48357961      8.73234462    -10.38186535
  H     21.38564033      6.15203243    -11.02520416
  H     17.73557111      7.87143568    -12.34590198
  O     14.26151305      9.56031345    -15.05852708
  H     22.71564010      6.94414194    -10.96763209
  H     14.45763347      6.34943303    -14.49114229
  O     17.06797102      9.19818192    -15.12497762
  H     15.17269679      7.84335969    -10.60692751
  H     13.88656414      7.69259430    -15.00224774
  O     18.04876056      5.79894018     -9.90299830
  H     16.17449449      8.62672888     -9.71526534
  H     18.55835889      8.59220655     -9.20130129
  O     14.48168029      6.26595597    -11.30042447
  H     13.71445632     10.20171665    -15.50514536
  H     17.89252829      8.61544903     -7.80520381
  O     20.49761585      4.72915998    -10.74754047
  H     14.06995761      9.64800716    -14.10812207
  H     19.12366132      5.66889816    -15.64787804
  O     15.97007357      4.02771457    -10.40872155
  H     17.12463450      9.32809309    -14.16563623
  H     20.31932567      4.88264498    -16.23725651
  O     16.61960691      3.03642961    -12.84021180
  H     16.14092689      9.36941182    -15.32670865
  H     12.94182076      8.81959298    -12.36187307
  O     20.51590282      7.31720861    -13.69301235
  H     17.92810836      6.56295334     -9.32919124
  H     14.14275530      9.45842765    -11.64528444
  O     19.44081911      3.63341846    -13.05925184
  H     18.06629688      6.15223826    -10.80636170
  H     19.94550998      9.66979042    -10.76919448
  O     18.02852531      6.95522522    -12.43955560
  H     14.97687117      6.06663509    -12.10565444
  H     20.60979450      8.30267607    -10.47721813
  O     13.64027152      6.79292972    -14.75109008
  H     13.58185540      6.47159404    -11.58443964
  H     19.81100785     11.90733040    -12.05944188
  O     17.74880121      8.35670382     -8.71179412
  H     19.69572858      4.98676746    -10.27497093
  H     19.71773285     10.65112623    -12.95936924
  O     19.94214363      5.19282083    -15.41843375
  H     20.19827354      4.26974516    -11.54644393
  H     16.73823256      6.09421785    -13.28544187
  O     13.55425595      9.56567373    -12.40080189
  H     15.28449473      4.69433372    -10.54093730
  H     16.14486073      4.66957296    -13.50459161
  O     19.97914637      8.94539068    -10.13218157
  H     16.73958791      4.52732696    -10.09950037
  H     16.96085467      6.09220145    -15.29175649
  O     19.56954645     10.98537762    -12.05578659
  H     16.30669542      2.14402634    -12.96093971
  H     17.49858450      7.47054627    -15.68964929
  O     15.99220356      5.60896383    -13.67479950
  H     16.39811027      3.29227064    -11.92602717
  H     12.55799453      6.93656205    -13.38713545
  O     17.61767073      6.52423665    -15.84894813
  H     21.08252271      7.16105935    -12.92619679
  H     11.20160108      6.81345889    -12.64639961
  O     12.10483525      7.09700356    -12.53873546
  H     20.52690731      6.53988406    -14.26549259
  H     17.87832866     10.15986108    -12.11395104
  O     17.15951759      9.57775089    -12.38801431
  H     18.50836587      3.39102196    -13.03079431
  H     16.55742267      9.43531359    -11.64598747
          69
 Energy    -248.80301393300812     
  O     -0.96711636      2.74292746      2.50483984
  H     -0.99765759      2.06364975      3.17370575
  H      0.44383026      8.48929066     -0.37732089
  O     -2.84742879      5.98351934     -0.13007709
  H     -0.34090577      2.43557991      1.82294161
  H      0.00692887      1.77982782     -0.27319742
  O      4.09365576      7.21643505     -0.23581163
  H     -2.53442743      6.56146971      0.57485324
  H      1.47959866      2.05853855      0.12204928
  O      2.82869612      8.64802052      1.90459336
  H     -2.35455896      6.19699804     -0.93491652
  H      0.31976281      4.68421722     -1.20457939
  O     -1.58577351      6.39828251     -2.60701258
  H      3.75421714      7.81784943      0.43641865
  H     -0.44057697      3.50680674     -1.90015629
  O      3.19539615      2.44717400     -0.63883360
  H      4.03297413      6.33248221      0.15196299
  H      1.35209148      7.75904001     -2.40775681
  O      0.77007231      5.58158541      0.28333565
  H      3.24639273      9.30009945      2.46054547
  H     -0.20111229      7.64905986     -2.38983964
  O     -1.76658282      7.50532659      1.98000079
  H      2.74744000      7.83468865      2.43533297
  H     -4.19769168      2.54612670     -2.53160664
  O     -1.46313189      2.09189549     -1.44337207
  H     -2.30704653      6.13246970     -3.18948544
  H     -3.55301813      3.46603901     -3.57994039
  O     -0.13019287      5.38052063      2.92904477
  H     -0.98836374      5.63648466     -2.53577384
  H     -5.40580978      4.56944858     -1.34668453
  O     -2.96452980      3.32176497      0.60169014
  H      3.79681929      1.75911610     -0.91075641
  H     -4.51435087      5.77579692     -1.00161448
  O      0.36985904      8.39680138      0.58622898
  H      3.08992914      3.04314714     -1.40283167
  H     -4.41734216      5.46113463     -3.17078297
  O      0.60058087      1.89266918      0.48103262
  H      0.71655662      6.54088597      0.19642442
  H     -4.35143938      5.67450335     -4.70206553
  O      0.06681145      4.31149743     -2.06382917
  H      0.45387892      5.38544198      1.17466361
  H      2.96908096      5.11523889     -2.75737599
  O      0.54629812      8.18046395     -2.08504407
  H     -1.01669832      7.89893158      1.49709176
  H      1.77821409      4.16106101     -2.63329388
  O     -3.51494331      2.57476027     -3.21353546
  H     -2.20684782      8.21757785      2.43639593
  H      1.64106351      5.96446519      3.26462630
  O     -5.21624852      5.48216573     -1.59847379
  H     -2.07069993      2.11298736     -2.19691877
  H      2.98033178      5.65291105      2.56822251
  O     -3.84561394      5.36854677     -3.95366733
  H     -1.96591047      2.47124751     -0.70910612
  H      2.48110133      5.06674158      0.64103117
  O      2.74577270      4.18119274     -2.67594502
  H     -0.51066435      4.49322258      2.89536690
  H      3.48514145      3.91260167      0.52231220
  O      2.55471839      6.26734459      3.18222250
  H     -0.82308182      6.02811592      2.74676585
  H     -4.47349266      2.85557993     -0.26280041
  O      3.35940003      4.77521026      0.93217683
  H     -2.37711826      3.13719118      1.34347218
  H     -5.79471204      2.07967488     -0.46598531
  O     -5.22175690      2.72654606     -0.86960872
  H     -2.87844766      4.26104928      0.37669978
  H      3.48655221      7.13927700     -1.86218094
  O      3.09066810      7.02641110     -2.74494156
  H      1.22067210      8.60425545      0.99176542
  H      3.66846961      7.47035622     -3.36097307
          69
 Energy    -248.80279549103705     
  O     13.38445717     13.03425417    -12.94743375
  H     14.12786917     12.92711365    -13.56467377
  H     17.73770370     10.43537324    -16.99048727
  O     16.34120137     10.36426987    -11.53601683
  H     13.26067637     13.97258001    -12.82752183
  H     13.02183986      9.89219467    -17.08598146
  O     11.68985346     11.24965347    -14.47596373
  H     16.13933525     10.21590895    -12.47279186
  H     12.23541594     10.87559670    -16.16462019
  O     13.51018093      8.20102048    -14.23747390
  H     17.14457923     10.90093384    -11.50556912
  H     16.43404251      9.32209123    -14.49882720
  O     14.13619178      6.25193330    -12.35939583
  H     11.47074176     10.59465860    -13.80192318
  H     14.91449223      9.31543243    -14.17115825
  O     18.12081978      6.70504808    -12.80939632
  H     12.18303060     11.93386951    -14.00893749
  H     13.74106614     12.02465019    -17.34087313
  O     15.36285352     12.52438236    -14.78352905
  H     13.76295169      7.44587098    -13.69085252
  H     14.19154046     13.31422623    -18.07348787
  O     16.28591169      6.38223852    -16.60692331
  H     12.82818393      8.66838535    -13.73873896
  H     13.71622470      9.39340207     -9.86965085
  O     16.13575306      7.67546031    -11.01027821
  H     13.31546213      6.32171263    -11.85770581
  H     14.65167919      8.16581660     -9.83454166
  O     16.14934306     10.38359484    -17.61533026
  H     14.80713457      6.74210237    -11.86025871
  H     18.22854598      8.93204055    -15.59931535
  O     16.03890288      5.25269199    -14.15429725
  H     19.04349981      6.53749127    -12.63298318
  H     17.34957091      7.64223569    -15.72044399
  O     18.61626337     10.42695309    -16.56532577
  H     18.08831929      7.30488858    -13.57353901
  H     17.25200112     12.61046595    -14.60163307
  O     12.62900045     10.77063445    -17.04442954
  H     15.46562604     11.56941314    -14.64602121
  H     18.40176523     11.76656449    -15.18313088
  O     15.71387101      9.85786183    -14.14641249
  H     15.07265672     12.65392376    -15.69560643
  H     19.15943710     12.55670952    -11.45414457
  O     14.47420918     12.66220034    -17.43936140
  H     16.54150626      5.72444750    -17.24849739
  H     18.52292343     12.09486626    -12.77612500
  O     13.79285466      8.49036461     -9.53564151
  H     16.12488500      5.90959750    -15.77008570
  H     14.63857881     10.77657185    -11.15420640
  O     17.80736430      8.22205084    -15.09641076
  H     16.87014448      7.27084031    -11.48712648
  H     13.50557403     11.71768068    -11.59025130
  O     18.18984582     12.40558403    -14.49350476
  H     16.25316980      8.63098858    -11.12536679
  H     12.40697521      9.87796898    -11.90655002
  O     18.59975849     11.88293619    -11.83021660
  H     15.50729570      9.70452551    -17.37162050
  H     11.61774920      8.54549165    -11.88531612
  O     13.68358621     10.92148784    -11.07432314
  H     15.65204076     11.20790194    -17.67674230
  H     12.52792936      7.50066012    -10.22693401
  O     11.76278897      9.34787914    -12.39947259
  H     16.80788825      5.56309800    -13.66061000
  H     11.29245596      6.56734321    -10.18003705
  O     11.89792837      6.99896947    -10.77649447
  H     15.28316097      5.41377419    -13.57398072
  H     13.89545285      8.29529135    -15.99024417
  O     14.25928467      8.37193942    -16.88530976
  H     19.25726286     10.59245478    -17.25129814
  H     14.87918778      7.63697448    -16.96031536
          69
 Energy    -248.80258925298295     
  O     15.62973264      8.67006808    -17.21013670
  H     16.29307690      9.00800198    -16.59705261
  H     19.81751122      4.72401520    -15.62172832
  O     13.95187807      3.14526891    -15.73330458
  H     14.81033544      8.60024754    -16.70531670
  H     18.66431255      5.29478229    -17.65736593
  O     17.83511764      6.21664462    -11.67510660
  H     14.69717491      2.70377813    -16.15553205
  H     18.11059134      5.82579630    -16.34218894
  O     17.48329161      4.33153725    -18.72041935
  H     13.85748909      3.98329484    -16.20934435
  H     15.73235501      5.62675635    -15.86682999
  O     13.57393151      6.96379036    -10.56973431
  H     17.32884667      6.78008074    -12.28119403
  H     16.53073227      6.33357937    -14.72918755
  O     14.07230762      4.25856806    -13.23046526
  H     18.73960769      6.20269689    -12.01078994
  H     13.31265125      7.77439057    -14.82939806
  O     16.39147181      7.65966620    -13.47080495
  H     16.83330304      5.03494306    -18.84125443
  H     12.36756278      8.54708601    -15.77702471
  O     17.43193650      3.13552711    -14.56751332
  H     17.05614452      3.64598371    -18.19314898
  H     14.34573491      3.80885482     -9.86202876
  O     12.73011537      4.24030018    -10.82169786
  H     13.17741152      6.08392019    -10.51829213
  H     15.56170460      4.62357062     -9.38663187
  O     19.56376550      7.93607169    -15.21558453
  H     14.44169335      6.88407700    -10.15504380
  H     13.67704467      6.46675527    -16.54336947
  O     16.41733773      2.23631405    -16.94976011
  H     14.95276625      4.07762377    -12.87493497
  H     14.54145174      5.89256900    -17.69727462
  O     20.00913397      4.24981749    -14.80079585
  H     13.99121163      3.78890634    -14.07301647
  H     21.21034311      6.23448819    -12.66172699
  O     18.92038091      5.79940412    -16.87482499
  H     15.43011941      7.59728578    -13.39579709
  H     20.24858625      5.46690154    -13.59722490
  O     16.56931771      5.62990853    -15.38814947
  H     16.63111763      8.42976152    -14.00090800
  H     16.17054389      3.54180313    -11.15672128
  O     13.20893306      8.09895430    -15.74023853
  H     17.13057161      4.00916851    -14.86677264
  H     17.06246859      4.54179921    -11.93376885
  O     15.26832965      3.72602899     -9.58950866
  H     17.17506862      3.08561296    -13.63806430
  H     16.62239655      6.90347210     -8.74026211
  O     14.10700368      5.66498312    -16.86415148
  H     11.90964316      3.75456525    -10.84116032
  H     16.83521790      6.39989952    -10.18356932
  O     20.31316467      6.22279747    -12.98508616
  H     13.11192325      4.17946369    -11.71392873
  H     15.76636354      7.35937828    -18.38883981
  O     16.55540681      3.72426403    -12.02537963
  H     19.47737768      7.27152818    -15.91430733
  H     15.53255921      6.91874251    -19.85152767
  O     16.18747030      6.45600638     -9.46231075
  H     19.84768053      7.46083069    -14.42696924
  H     13.81910222      6.06199199    -13.38899076
  O     15.67188175      6.58315113    -18.96947283
  H     16.66511277      1.34317620    -17.17860642
  H     13.58269529      7.17304511    -12.34195896
  O     13.70926087      7.01913511    -13.28989874
  H     16.84682427      2.43128456    -16.09953771
  H     18.24335497      9.03412460    -15.23183192
  O     17.43363932      9.57736623    -15.20531620
  H     19.23715270      3.68889897    -14.65320414
  H     17.71255921     10.48540290    -15.12587757
          69
 Energy    -248.80258684758260     
  O     14.56818511     14.38236593    -11.92800647
  H     13.68324726     14.13566078    -11.62178295
  H     12.47295927     11.51838159    -15.44765982
  O     15.43438701      9.26431248    -17.77950984
  H     15.12798716     13.62682895    -11.70000526
  H     14.03281013     12.30220652    -17.46213639
  O     14.70850887      9.74999534    -11.45134219
  H     15.59933141      8.98290732    -18.67527281
  H     15.56230936     12.47259197    -17.61438777
  O     17.08371970     15.34295263    -12.96147155
  H     15.22099853     10.21445027    -17.82037295
  H     11.86778227     13.61267999    -16.86165932
  O     13.72968073      8.50093514    -15.71449820
  H     15.29244805     10.50649073    -11.31524308
  H     13.02865934     13.68370543    -15.84333276
  O     13.58526240      7.31705745    -10.61332651
  H     13.83094147     10.10821466    -11.64595873
  H     19.56842383     12.81768359    -12.57389026
  O     14.54204303      5.78414811    -12.64232325
  H     16.26582195     15.16254918    -12.48149173
  H     18.43781869     12.47685157    -13.57389590
  O     15.12689708     11.96785294    -14.23259230
  H     17.66156290     14.58080620    -12.82950085
  H     12.09457633     12.36006433    -11.47353332
  O     12.12989748     10.64988346    -12.11288790
  H     14.37733725      8.41175721    -14.99832624
  H     11.46272495     13.40012045    -10.53688603
  O     15.57373621      8.21130517    -13.64985886
  H     14.23743632      8.67224666    -16.51758652
  H     16.81403225      9.07606976    -16.43237288
  O     17.76057843     11.66358655    -14.98637727
  H     12.67565094      7.52051676    -10.86373711
  H     16.88530148      8.70052086    -14.93871056
  O     12.62282145     10.82875686    -14.78988213
  H     14.07367136      8.14495932    -10.72554858
  H     12.60818675      7.33871181    -14.72778361
  O     14.81951899     11.88726453    -17.82745051
  H     14.23223683      6.24157735    -11.83953365
  H     12.97757588      6.32261351    -13.63230345
  O     12.55680908     13.09334300    -16.45484863
  H     14.87696758      4.93542089    -12.36725124
  H     16.74832892     15.74523761    -14.61303241
  O     18.63939245     12.94622736    -12.74512066
  H     14.34560969     11.43373143    -14.41317374
  H     16.65579910     16.76031867    -15.77878335
  O     12.14433817     13.28757833    -11.19502148
  H     14.88013348     12.87716624    -14.44525232
  H     17.09233588     12.30273296    -11.83954704
  O     17.41034213      9.04325227    -15.67412017
  H     12.22566307     10.74669530    -13.07335592
  H     15.77296741     11.97586635    -12.57064626
  O     12.23732400      6.82043007    -14.00213834
  H     11.67123569      9.81378810    -11.96222137
  H     14.82714383     15.07414000    -15.05516495
  O     16.42252758     15.87223693    -15.52257251
  H     15.37168253      7.31191865    -13.36143830
  H     14.15462695     14.59400238    -13.73091765
  O     16.16546779     12.08536220    -11.68763668
  H     15.34303415      8.79104267    -12.91163601
  H     11.43883646      7.62307421    -12.66838170
  O     14.10368367     14.54311235    -14.69604130
  H     17.84920978     10.73922214    -15.25807830
  H     10.22095574      7.69611138    -11.71848732
  O     11.09382571      8.05112097    -11.86390836
  H     16.81732445     11.77160582    -14.78941815
  H     17.40108370     12.88676708    -16.39092412
  O     16.93549491     13.46531583    -17.00897013
  H     12.90364814     10.01651678    -15.23529332
  H     16.83790765     14.31487248    -16.56464955
          69
 Energy    -248.80239075211770     
  O     17.82653590      3.82212309    -15.29768292
  H     17.39821396      3.20723466    -14.68959875
  H     15.76519934     10.36829393    -16.00385067
  O     17.92118429      9.59753362     -9.48929220
  H     17.16473242      4.49672261    -15.49980961
  H     14.61990027      8.28130117    -16.61481680
  O     13.25376881     10.79015256    -10.71064111
  H     18.50406953      9.50920486    -10.25423416
  H     13.62394755      7.53097577    -17.53180319
  O     17.38972930      8.03051082    -14.55948611
  H     17.52925644      8.73125289     -9.32394333
  H     15.87846861      9.38721174    -11.86862150
  O     20.13476054      4.58982712    -14.08730917
  H     12.49088388     11.32519573    -10.50647111
  H     15.06143538      8.08216920    -12.21029888
  O     16.42686946      7.20692355     -9.04038629
  H     13.32137735     10.76179428    -11.67933437
  H     17.44647967      2.62022303    -12.59136153
  O     13.67159078      6.82946860    -11.99541876
  H     18.17759486      7.69714975    -14.11678354
  H     16.52440518      1.41979493    -12.91856161
  O     17.61154698     11.47870458    -13.10242563
  H     16.79336192      8.33219409    -13.85437014
  H     16.67269639      5.53545803    -11.80147119
  O     13.98189715      8.20010714     -9.65634849
  H     20.88535235      4.28325780    -14.58873378
  H     17.07530563      6.27000541    -10.48357679
  O     15.90076205      5.87422141    -15.40480077
  H     19.33958970      4.33432441    -14.58914290
  H     14.23160136     11.16462453    -14.00247584
  O     19.34767554      6.98534328    -12.86308497
  H     16.39498111      6.84376900     -8.15858780
  H     14.41906260      9.85195756    -13.24170782
  O     15.85442499      9.48724539    -16.38474792
  H     15.54684668      7.58456452     -9.21654704
  H     15.16476677     11.05315324    -10.56018045
  O     13.98982818      7.53838491    -16.65139843
  H     14.13043343      6.02286615    -12.26204750
  H     16.64205774     10.61497882    -10.20141925
  O     15.68830533      8.73256755    -12.55200270
  H     13.19002531      7.16737984    -12.76581766
  H     15.81717199     12.82895611    -15.31502889
  O     16.67380135      2.34044232    -13.11442514
  H     18.31398748     10.85251032    -12.90351204
  H     16.42584258     11.79391007    -14.34305688
  O     17.42368153      5.82062403    -11.26289979
  H     17.05701596     11.48239626    -12.30668988
  H     15.65035363      3.90751263    -12.92447161
  O     13.75875399     10.53149498    -13.45011621
  H     13.67384529      9.08122811     -9.89267467
  H     15.49118342      5.18766059    -13.78444600
  O     16.07307208     11.01916565    -10.87440126
  H     13.71915563      7.62598711    -10.39278581
  H     19.40503193      3.73818143    -12.49161162
  O     15.69008719     11.95243027    -14.96228198
  H     15.17896806      6.27652539    -15.90086519
  H     18.39487396      4.22220037    -11.43790768
  O     15.36378738      4.82800873    -12.89384595
  H     16.48063036      6.60441878    -15.13968826
  H     12.78020144      8.97793066    -14.06227630
  O     18.80141734      3.42548299    -11.80670484
  H     19.75375267      6.23032772    -13.30551850
  H     12.99100526      7.82758628    -15.06233249
  O     12.58820430      8.04394662    -14.21225782
  H     18.67210044      6.62447471    -12.26752148
  H     19.54445891      8.65887793    -12.25686361
  O     19.52334563      9.56342549    -11.90604366
  H     16.53685505      9.04386808    -15.86149759
  H     20.43378694      9.83837488    -11.81743568
          69
 Energy    -248.80217356810891     
  O     -6.14392476      1.66800706      0.38893457
  H     -6.39012698      1.94740002      1.28042184
  H     -3.93824893     -0.72491728      4.19753888
  O     -5.21095886      1.50184683     -3.91844375
  H     -5.83484139      0.75343053      0.46714226
  H      0.18057464      3.08647266      3.16780868
  O     -6.51304586      2.29653455      3.07713501
  H     -4.48708320      2.05460054     -3.58510648
  H      0.62148058      1.61494641      3.34000523
  O     -1.07433950     -1.48562130      2.66580021
  H     -5.36142789      1.76384229     -4.82419003
  H     -0.03628214      3.48031349      1.06386632
  O     -2.70678215     -1.20422875      0.39426353
  H     -5.74111212      2.86702608      3.24707450
  H     -1.03684927      4.51730872      1.62757105
  O     -4.43455910     -1.16217054     -3.20030620
  H     -7.22737276      2.63422341      3.61031215
  H     -4.86856565      2.82290084     -0.10679910
  O     -5.44044067     -1.02380735      0.66358963
  H     -1.69944905     -1.33445374      3.38476165
  H     -3.79897756      3.23817145     -1.17592106
  O     -1.90283157     -1.40303719     -2.29790603
  H     -1.61177359     -1.55810704      1.86590904
  H     -0.93020383      1.64921489      0.55711055
  O     -3.12275996      3.01457940     -2.90258943
  H     -2.64731367     -0.26386311      0.63092692
  H      0.51637050      1.18470291      0.78539794
  O      1.09569414      0.10237686      2.22339345
  H     -2.36485242     -1.30371742     -0.50177838
  H     -7.07471188     -0.85169309     -1.84692638
  O     -1.15788670      1.32838247     -2.28845156
  H     -5.19889458     -1.49880211     -2.71722153
  H     -7.53852988     -2.32978190     -1.87104152
  O     -3.06718262     -0.84460464      4.61738907
  H     -4.68303167     -0.28214844     -3.50724527
  H     -1.49492148      2.00451526      3.99308762
  O      0.21282531      2.35537544      3.80309296
  H     -5.90626625     -1.42361271     -0.07935474
  H     -2.59517786      0.92370901      4.28400822
  O     -0.13561562      4.18675977      1.71500015
  H     -4.49438351     -1.19303103      0.54320724
  H     -5.81895503      0.51501182      3.37936589
  O     -4.07337390      3.35444584     -0.25895890
  H     -2.80671407     -1.35780451     -2.65894427
  H     -5.51214344     -0.70811501      2.49251496
  O     -0.02773691      1.73831041      0.21186042
  H     -1.46884087     -2.13612225     -2.72606265
  H     -3.12841704      2.09803924      0.74473992
  O     -6.78388658     -1.77123922     -1.70619906
  H     -2.39524973      2.39656952     -2.69860040
  H     -2.58224084      1.57706776      2.12094082
  O     -2.44153733      1.80455488      3.92495476
  H     -2.72292875      3.78710781     -3.29370589
  H     -3.33634596      4.59298007      0.78616980
  O     -5.43769804     -0.37018505      3.39500338
  H      0.34366839     -0.48910871      2.40476505
  H     -3.02596419      6.05861681      1.17007032
  O     -2.59100413      1.41926599      1.16697342
  H      1.88624357     -0.40630762      2.38193582
  H     -6.65230330      1.18570351     -2.70198394
  O     -2.87954460      5.15346785      1.43530481
  H     -0.63802392      1.48496251     -1.48770707
  H     -7.02008141      1.27549175     -1.20402395
  O     -7.28693957      0.87649487     -2.04404337
  H     -1.33134467      0.38027843     -2.32632921
  H     -3.64382536      3.11493172      3.78682191
  O     -4.30385107      3.76616585      3.50318017
  H     -3.22425791     -1.25688649      5.46256268
  H     -3.84164503      4.35696428      2.89951430
          69
 Energy    -248.80198790430401     
  O     16.33802210     10.21581496    -10.29039603
  H     15.47234450     10.03090345    -10.68906417
  H     14.21457688     10.90926830     -6.66263968
  O     14.48221273      4.96497486     -6.38650957
  H     16.96054337      9.53815786    -10.58163118
  H     14.10932077      7.75882674     -4.82798980
  O     16.83104284     12.54852244     -9.00060643
  H     14.91580778      5.47415399     -5.69056800
  H     12.78476694      7.53968527     -5.58506339
  O     11.94357217      6.20728203     -6.62364613
  H     13.57095494      5.28532859     -6.42281862
  H     16.90604892      3.70440508    -12.20778586
  O     13.88793534      9.52542454    -11.18234052
  H     16.68952248     13.29165697     -9.58096957
  H     17.10682581      5.21210933    -12.41556498
  O     18.11499889      8.16644351    -10.93123310
  H     16.63437427     11.74634925     -9.51613680
  H     15.47697537      7.01406045     -8.41713134
  O     20.19097825      9.35160936     -9.48759712
  H     11.95455773      6.52028515     -7.54530093
  H     15.13948652      5.57679092     -7.91799046
  O     18.01203860      5.73282178     -9.61077070
  H     11.08233865      5.82524687     -6.47663973
  H     18.40219305     10.78803275     -4.48009374
  O     11.98469153      7.16801663     -9.16376830
  H     13.91955032      8.55954146    -11.15499167
  H     17.86863043      9.78203267     -5.52738846
  O     15.65983158     11.93875417     -6.45760757
  H     13.20248141      9.78675343    -10.55451720
  H     16.35295639      7.43612925    -13.60007828
  O     12.00016353     10.01881041     -9.12504251
  H     18.06541029      7.33148877    -10.44113447
  H     17.05414122      7.45196731    -12.22510412
  O     13.55036757     10.25068888     -6.91420090
  H     18.88906657      8.62543943    -10.57974530
  H     14.87563353      9.20649417     -7.61882975
  O     13.31456531      8.21061761     -5.13453808
  H     21.09796493      9.58250684     -9.67028230
  H     15.91623481      9.26477020     -8.76672607
  O     17.50620145      4.42364723    -12.02056397
  H     19.82798526     10.06345884     -8.93071616
  H     18.85916077     11.12533838     -7.01494703
  O     15.46934394      6.08052292     -8.67462998
  H     17.96997483      5.14425942    -10.37508413
  H     18.42140792     11.82231264     -8.31349869
  O     18.03013892     10.72499519     -5.35598550
  H     17.12134972      5.76160651     -9.22856410
  H     16.11268548      6.49913307     -3.67829126
  O     16.43787038      6.94965859    -12.78310873
  H     11.91586386      8.13095322     -9.18355273
  H     16.40724224      7.20788838     -5.01874409
  O     15.63100012      8.74595726     -8.00535560
  H     12.59744965      6.92548526     -9.86705979
  H     14.60404786      6.40127604    -10.20392172
  O     19.12583988     11.28675836     -7.92778882
  H     16.00373297     12.24471817     -7.30622417
  H     14.84076708      6.70087071    -11.69683300
  O     15.71624157      6.75633664     -4.50706656
  H     16.42062358     11.58080870     -5.98516723
  H     19.07399644      6.53935494     -8.30602720
  O     14.16477445      6.71405149    -11.01048556
  H     11.24874884     10.60273512     -9.06554040
  H     19.82250152      7.88413229     -8.25734950
  O     19.47329351      7.17925521     -7.70008367
  H     12.52605779     10.15538200     -8.31735534
  H     16.83956941      8.38569174     -6.76192292
  O     17.49431776      8.14114977     -6.08989293
  H     13.42390760      9.62342849     -6.18543301
  H     18.24638270      7.75230164     -6.56076097
          69
 Ord_Energy   -248.801910    
 O    1.72607827       3.84161210       2.63637090    
 H    2.39825177       4.01239491       3.29199219    
 H    2.06897640       4.17216206       1.78747272    
 O    2.52518940       7.55017662     -0.264734417    
 H    1.69803345       7.77692175      0.191102058    
 H    3.14385629       8.25283909      -8.10653120E-02
 O  -0.196079165      0.476660430      -2.59237075    
 H   -1.03297150      0.607578158      -2.12365746    
 H   -7.15984032E-02 -0.480559796      -2.65011334    
 O    1.41490293       6.72657728      -2.81710553    
 H   0.496370882       6.77840662      -2.51707125    
 H    1.93209469       7.06795025      -2.08002734    
 O   0.907811046       1.29466915       1.71075630    
 H    1.24676764       2.09965611       2.11962533    
 H    1.32760608       1.20672786      0.840509713    
 O   -1.98647416      -1.84504175      -8.52757320E-02
 H   -2.53594422      -2.53240061      0.282345980    
 H   -1.26226807      -1.69618189      0.548553228    
 O  -0.990508854       6.78965759      -1.38213587    
 H  -0.757822454       7.29351187     -0.595016360    
 H   -1.88855612       6.44174767      -1.25537348    
 O    2.41596532       4.76893282      0.172735095    
 H    1.56668997       4.54892540     -0.245886564    
 H    2.56605458       5.71081734       3.15082893E-02
 O    2.12933421       4.39958048      -4.03548908    
 H    1.88613677       5.25170183      -3.63149047    
 H    2.51774526       4.59999084      -4.88318729    
 O   -3.28426266       5.47453976     -0.850439906    
 H   -3.27758980       4.68950319      -1.42021549    
 H   -3.28501368       5.15979052       5.89968003E-02
 O    3.59227285E-02  -2.22987008      -2.13864708    
 H  -0.702887237      -2.23046923      -1.51678073    
 H   0.833570778      -2.26168585      -1.59581685    
 O  -0.297011375       3.08819413      -3.45033884    
 H   0.520251155       3.45961690      -3.80391097    
 H  -0.166439593       2.13623190      -3.32770205    
 O    2.27817249      -1.81785417     -0.372998327    
 H    2.27836728     -0.862069786     -0.552770317    
 H    3.18754125      -2.10298038     -0.405227661    
 O   0.172815964      -1.41306388       1.50998986    
 H   0.376623482     -0.504257739       1.76721346    
 H   0.928275168      -1.70312572      0.982687593    
 O   -3.02591994E-02   4.20075750     -0.929773211    
 H  -0.413586140       5.08241940      -1.02779973    
 H   -9.38092023E-02   3.77345586      -1.79477453    
 O   -2.90674090       4.43941593       1.85753310    
 H   -3.62970710       4.12052917       2.39191079    
 H   -2.44525933       3.65540671       1.51171601    
 O   -3.00043082       3.22026420      -2.46106100    
 H   -2.17829084       3.25479984      -2.96569586    
 H   -3.03997302       2.33013129      -2.09165931    
 O    1.93372452      0.874164879     -0.845051527    
 H    1.18065059      0.776234031      -1.44462204    
 H    2.50283551       1.56764376      -1.20750046    
 O    9.15971398E-02   7.98414469      0.997637212    
 H   -9.60538089E-02   7.19284678       1.53556049    
 H  -0.338143080       8.71863747       1.42781019    
 O  -0.452517420       5.75785398       2.40090203    
 H   -1.31359470       5.33723259       2.28144932    
 H   0.188634351       5.05481482       2.55117774    
 O   -2.52354050      0.744627118      -1.08279979    
 H   -2.20235109       1.32726705     -0.378563255    
 H   -2.48144317     -0.157462135     -0.740862489    
 O    3.33849669       3.00335312      -1.83186901    
 H    3.00178075       3.42950273      -2.62953591    
 H    3.20795679       3.64250278      -1.11931419    
 O   -1.38378859       2.49121714      0.746572554    
 H  -0.673443615       2.00146246       1.17968631    
 H  -0.955716312       3.11252141      0.136501342    
          69
 Energy    -248.80173992926427     
  O     14.00669191      4.68938081     -9.70205634
  H     14.91427842      4.56157244    -10.00128603
  H     13.90896169      8.50736951    -13.98817784
  O     15.90776458      8.30985779    -16.25758084
  H     14.00259309      5.53272522     -9.23301323
  H     17.14709204      9.51586750    -11.86188020
  O     18.40413173      8.91540528    -13.06676979
  H     15.76031137      8.27160198    -17.19914687
  H     16.07164763     10.45412010    -11.18592097
  O     15.09216271     11.92098394    -11.34477484
  H     15.03227549      8.38855999    -15.83913410
  H     13.66918814      8.23680543    -11.67534117
  O     11.53262716      6.77137874    -14.44959164
  H     18.01567317      8.16161669    -13.53110262
  H     15.13328879      8.66188379    -11.96137815
  O     18.83848066      5.15319655    -12.63951607
  H     18.89295371      8.53739880    -12.32118571
  H     12.14977964      4.37394321    -12.26238391
  O     12.92786880      4.31391864    -14.01458069
  H     15.19607036     12.22036647    -12.25770976
  H     12.56414363      4.59148345    -10.78475898
  O     16.73587320      7.38627645     -9.55506627
  H     14.15516289     11.72145231    -11.23709729
  H     15.56481180      5.26771763    -12.24332103
  O     12.27759104     11.16832981    -11.38064235
  H     11.92143856      5.88858427    -14.40195807
  H     14.77638357      6.49826627    -12.75840067
  O     15.32684538     12.50642909    -14.12039495
  H     11.13342856      6.92696216    -13.58580449
  H     17.65548834     10.13673001    -14.27644121
  O     12.83844837     11.15029015    -14.02880644
  H     19.48785772      4.59681911    -13.06331388
  H     16.68881018      9.85551124    -15.44257538
  O     13.56155690      8.55453937    -14.89239768
  H     18.39079603      5.64473790    -13.34642223
  H     16.91339187      7.15944621    -15.14786859
  O     16.45277266      9.56462899    -11.19270369
  H     13.75136816      4.73283249    -13.70978603
  H     16.49187784      6.27167495    -13.96114622
  O     14.38829554      8.15629727    -12.31284840
  H     13.17821164      3.54651025    -14.52190431
  H     18.62125383      7.39214528    -10.27354601
  O     11.81804927      4.64769793    -11.39982634
  H     15.90486359      7.34861364     -9.06703530
  H     19.29533355      6.59172803    -11.40267727
  O     15.10600753      5.62359160    -13.01599623
  H     16.67732929      8.19809706    -10.08252131
  H     10.95853357      6.11036150    -11.55038747
  O     17.04343876     10.56230333    -14.89069264
  H     12.41232520     11.13781997    -12.34545931
  H      9.60095366      6.85505430    -11.58492560
  O     17.26302995      6.66646300    -14.39565173
  H     11.62989998     11.84947872    -11.21770181
  H     16.70810476      5.76854084    -10.37206160
  O     19.33492645      7.42745692    -10.92131236
  H     15.96551761     11.82930710    -14.40616357
  H     17.44469579      4.81132716    -11.34232945
  O     10.53817246      6.97655330    -11.71200551
  H     15.59754858     13.32555802    -14.52637101
  H     13.75117895      7.52082016     -7.66080268
  O     16.63728041      4.91381201    -10.82592762
  H     12.99200400     10.29952272    -14.45803293
  H     13.46608205      7.79081184     -9.15285237
  O     14.05699189      7.32054211     -8.54265476
  H     13.64874847     11.66216406    -14.15089178
  H     11.68907800      8.05729671    -10.81682045
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  H     12.79578741      7.96212256    -14.90185795
  H     12.31363463      9.48579752    -10.66493479
          69
 Energy    -248.80165874445146     
  O     -4.40300902     -2.31836970     -0.05187575
  H     -4.61773490     -1.82846983     -0.85415921
  H     -0.00090618     -2.93463016      2.26114896
  O     -1.31845383     -0.71226583     -1.98254309
  H     -4.20461523     -3.23323793     -0.30085169
  H     -6.11127535     -2.68181655      0.46057345
  O     -3.34393425     -1.97024732     -3.54104853
  H     -0.68113617     -0.10879887     -2.35687881
  H     -7.42922451     -2.79716645     -0.33504954
  O     -5.51718393     -0.84608051     -2.18579994
  H     -1.81545269     -0.20801059     -1.31633314
  H     -7.88813063     -5.44595754      2.27672689
  O     -6.22229425     -6.53461221     -0.63220629
  H     -2.60934449     -1.53954927     -3.08829524
  H     -7.15957984     -4.42705103      1.36808512
  O     -4.73299894     -1.84609449      3.86051970
  H     -4.13729061     -1.51192486     -3.23368119
  H     -0.86166467     -2.46601044     -1.46318880
  O     -2.46291569     -5.38696347      1.56245882
  H     -5.64581362     -0.12753958     -1.55330743
  H     -0.59676995     -3.31123677     -0.20298541
  O     -2.78598881     -1.37771593      1.90859212
  H     -6.32978124     -1.36791670     -2.22029369
  H     -3.90461614     -4.83540757      2.64142995
  O     -3.98558455     -4.89340203     -0.67188389
  H     -6.57198677     -6.28792478      0.23185520
  H     -5.45202451     -4.85146001      2.68557774
  O     -5.57565778      1.03106412     -0.07310892
  H     -5.67534769     -7.32971481     -0.52883082
  H     -2.62262101      0.07986568      0.74049338
  O     -6.42117479     -4.90210268     -2.92293797
  H     -4.77935146     -1.82739953      4.81245903
  H     -3.64239574      0.86058876     -0.10122825
  O     -0.71835938     -3.14984314      1.67088228
  H     -4.72464540     -2.78567469      3.59961235
  H     -0.33195575     -5.92792439     -2.94215043
  O     -7.06176267     -2.85166874      0.55610369
  H     -2.94766067     -5.21348492      0.73850813
  H     -0.93409438     -4.85479581     -2.00758481
  O     -7.08694226     -5.30672726      1.77751577
  H     -1.79636514     -4.69443677      1.64482056
  H     -5.90466368     -0.87487508      2.69329880
  O     -0.64898720     -3.35839427     -1.16463614
  H     -3.34761685     -1.70801914      1.18551959
  H     -6.89764597     -1.26429258      1.58872477
  O     -4.67249311     -4.43369256      3.06802784
  H     -3.33587688     -1.41590642      2.69942476
  H     -3.47456457     -3.73731163     -3.53278354
  O     -2.70677445      0.63461840     -0.04694345
  H     -4.76736736     -5.45706175     -0.61236706
  H     -2.74719652     -5.10197282     -3.30232000
  O     -1.12777692     -5.68829671     -2.47384817
  H     -3.77311511     -4.82120448     -1.61159260
  H     -1.94849436     -6.89335771      0.46559553
  O     -6.47616179     -0.50385481      2.00991543
  H     -5.97132108      1.89535229      0.00690905
  H     -1.66241996     -6.92191648     -1.04769762
  O     -3.61369492     -4.68971174     -3.40234099
  H     -5.87755176      0.51658788      0.69563448
  H     -8.50301488     -2.58916291     -2.67530152
  O     -1.90724872     -7.48062634     -0.30016002
  H     -6.45455338     -5.56283340     -2.21756957
  H     -7.23948131     -3.46057771     -2.48390896
  O     -7.69350679     -2.65367727     -2.17623144
  H     -5.50759364     -4.88566556     -3.23593721
  H     -3.53159138     -8.23611956     -0.37315871
  O     -4.43701506     -8.58786258     -0.38284859
  H     -1.40518081     -2.47407931      1.80150585
  H     -4.34787739     -9.53596113     -0.42761982
          69
 Energy    -248.80158242631779     
  O     13.46386984      4.37031949    -16.50106198
  H     12.61015052      4.19758017    -16.89031225
  H     21.01008636      4.36940058    -15.71631272
  O     17.86081382      5.81228423    -11.69286923
  H     13.67533827      5.30209237    -16.68687558
  H     17.48862722      7.46741505    -16.43612753
  O     19.38620163      5.86361547    -17.97998180
  H     18.64439390      6.02698231    -12.21737438
  H     18.42748824      8.66949535    -16.34945676
  O     17.18826412      4.94533099    -19.54012002
  H     17.22058542      6.50206628    -11.93013691
  H     16.89449388      5.54055682    -15.27878567
  O     13.49354802      6.10252316    -10.04798783
  H     19.02698475      6.72149740    -17.71346971
  H     16.49742838      6.75892604    -14.37295660
  O     13.97080964      4.37270831    -13.72562434
  H     18.72863297      5.48360412    -18.57483943
  H     13.90375544      8.28269693    -15.62866990
  O     16.13434483      7.62344155    -12.70992068
  H     17.18031105      4.45350674    -20.35682762
  H     13.55322719      8.26264056    -14.12723882
  O     17.55141722      3.82754683    -15.34353375
  H     16.72926344      4.39698525    -18.87891333
  H     15.39911704      1.55891169    -10.10099542
  O     13.06650508      3.50017657    -11.20593415
  H     13.16615238      6.45796522     -9.22599189
  H     14.55248243      2.69864564    -10.72012192
  O     18.79771327      9.38386119    -14.60959878
  H     14.41075689      5.81904251     -9.88357555
  H     15.08039240      6.72659778    -16.24234461
  O     15.97161730      3.49747180    -17.60379671
  H     13.82377194      4.26459145    -14.67263482
  H     14.76558545      7.17016214    -17.68499863
  O     20.15998746      4.79314292    -15.63401850
  H     14.88477910      4.13024832    -13.52566939
  H     19.40987541      7.55736500    -13.94349079
  O     18.01485203      8.07279595    -16.98196071
  H     15.19359722      7.40029823    -12.67240455
  H     19.88829311      6.12792852    -14.29111736
  O     16.54260923      6.43958901    -15.28096494
  H     16.19378009      8.53909110    -13.00264519
  H     17.04548249      4.37181160    -12.41604604
  O     13.87244627      8.83514373    -14.83653943
  H     18.49436940      4.03517091    -15.36525603
  H     16.26641157      3.07504583    -12.07369713
  O     15.46172018      2.41402970    -10.51687039
  H     17.30267678      3.59361526    -14.43839369
  H     16.76306814      5.38576701    -10.20358922
  O     14.34710706      6.92110354    -16.84836869
  H     13.21522001      3.71233406    -12.13806402
  H     15.91833245      4.15928554     -9.81069743
  O     19.68750241      6.72071879    -13.55644768
  H     13.03786814      4.35044769    -10.75010265
  H     16.38400839      6.65848708    -19.25975598
  O     16.55775446      3.63081613    -12.80595233
  H     17.89032346      9.67646989    -14.43265568
  H     16.72147149      7.89373459    -18.41204159
  O     16.00737260      5.10990875     -9.66899223
  H     19.37023821     10.10345330    -14.35205867
  H     13.57778411      6.04963653    -13.15506454
  O     16.02123113      7.49711273    -18.94657193
  H     16.55123882      3.50143652    -16.82851099
  H     13.35150666      6.75200147    -11.79543550
  O     13.46877137      6.91839478    -12.73989452
  H     15.08725543      3.69333674    -17.27605391
  H     15.33416643      9.69732604    -14.41466813
  O     16.13154317     10.11229558    -14.03746928
  H     19.94019280      5.15738292    -16.51112882
  H     15.86097252     10.97349859    -13.72879580
          69
 Energy    -248.80128987562352     
  O     15.15181114     12.30482460    -15.09798733
  H     14.69940412     13.10663829    -14.84779913
  H     16.15529501      4.98223616    -14.95951258
  O     16.11278208      6.10039564    -13.47063051
  H     15.11499688     11.71243435    -14.32903770
  H     20.31581557      5.46117113    -13.10953209
  O     19.17958455      8.41229569    -11.92696841
  H     16.68325009      5.95403455    -12.70649601
  H     19.10321999      4.96535516    -12.30638444
  O     18.03491120      7.71853827    -17.63056076
  H     16.55611566      6.76729950    -14.02084033
  H     17.53590525     10.84553998    -19.09905665
  O     15.65410208      6.17379113    -17.87208599
  H     19.88530023      8.02492527    -12.46023730
  H     16.48572149     10.46893881    -18.02605992
  O     15.39711286     10.68287488    -10.21459810
  H     18.80023325      9.12164069    -12.46671999
  H     17.49507929      8.85860375    -14.57802475
  O     14.10303958      7.98669069    -13.34465946
  H     17.88083885      8.62477341    -17.92968653
  H     17.56587211      7.96888335    -15.86568381
  O     17.96968445     10.28223012    -13.54093636
  H     17.24698227      7.20134269    -17.84503186
  H     15.40109747      7.14467731     -9.69515857
  O     19.08154822      3.88513018    -15.44706380
  H     15.29065169      5.64928993    -18.58007202
  H     15.84424081      6.30495155     -8.47365933
  O     14.15391203      8.09729808    -10.49139728
  H     15.88878606      5.55458049    -17.15553803
  H     21.95060688      7.34164496    -13.75724834
  O     20.06188742      6.48734745    -16.11863730
  H     15.28442668     11.34284734     -9.53627467
  H     20.67648701      7.00754184    -14.56378554
  O     16.36934239      4.59152987    -15.81727329
  H     16.23147625     10.21808313    -10.02001268
  H     18.30982293      6.84946891    -11.52516294
  O     19.76813539      4.68276852    -12.94802187
  H     13.90191706      8.04696764    -14.28610394
  H     17.32571422      6.12585305    -10.56466739
  O     17.42429565     10.38170323    -18.27301866
  H     14.74394304      7.26115420    -13.27741665
  H     18.26235769      8.98952178    -10.36502085
  O     17.09740943      8.10844049    -15.03401848
  H     18.12362255     10.87195525    -14.29380384
  H     17.22231360      8.34687671     -9.42056794
  O     16.17098181      6.74329617     -9.25462290
  H     17.05085590     10.40926976    -13.26853586
  H     14.85841126     11.25828409    -16.64837868
  O     21.01786254      7.16447971    -13.66519550
  H     19.50835840      3.05472212    -15.64122670
  H     14.61922611      9.77653563    -17.00165069
  O     17.88557465      5.99802156    -11.33974691
  H     19.29255328      4.09544661    -14.51952672
  H     14.84079195      9.66763594    -13.11627548
  O     17.59489013      9.19344854     -9.69779774
  H     13.96012975      8.02000877    -11.43382871
  H     15.24393911     10.69853594    -12.02165811
  O     14.87899242     10.62830123    -17.37917888
  H     14.41889629      9.01410020    -10.34735436
  H     17.88303689     11.35369675    -16.64109443
  O     15.22914158     10.54189570    -12.97537823
  H     19.47545788      6.91618110    -16.75387682
  H     17.01012475     12.12167168    -15.63282045
  O     17.91333325     11.82221077    -15.79888698
  H     19.73211209      5.58592277    -16.01328091
  H     14.68602925      7.45011270    -16.79150990
  O     14.54261255      8.14657400    -16.13975222
  H     17.27991903      4.28013396    -15.74112298
  H     15.40014107      8.24109682    -15.69511111
          69
 Energy    -248.80127029332772     
  O     13.75878912      7.35388699    -16.26261282
  H     14.23807593      6.82373808    -16.89384368
  H     16.57269781      9.30030902    -10.80370117
  O     10.53810093     10.01220204    -10.80939732
  H     13.65254434      8.23603021    -16.66102894
  H     14.44877214      8.58811179    -10.40848026
  O     14.05700550      7.90655372    -13.51444273
  H      9.67896352     10.07840816    -10.40119232
  H     14.82800604      7.93103103    -11.75455100
  O     13.61706612     14.52087617     -9.58106613
  H     10.71084156     10.86609759    -11.24569424
  H     13.13675093     14.61175035    -12.85490210
  O     13.22648797      9.81314912    -17.32981559
  H     14.05163813      7.58024048    -14.42322876
  H     12.82723611     14.67908581    -11.32939686
  O     11.44946797      8.82651073    -13.22214116
  H     13.14893313      8.18579018    -13.32420606
  H     12.23828554      9.80192521     -9.99671916
  O     14.02372570     11.94940437     -8.09256458
  H     13.78209915     15.29541703     -9.04765494
  H     13.54763734     10.45584238    -10.48520220
  O     13.98741751     11.63240517    -11.77665905
  H     14.48040515     14.22737670     -9.91911959
  H     17.65572295     10.59151724    -12.33322004
  O     16.76074940     13.57849434    -13.23356971
  H     12.26354992      9.83788065    -17.39381993
  H     18.65183324     10.56706057    -13.51875843
  O     11.21280274     12.21879338    -12.25285355
  H     13.48209850     10.63300648    -16.88899028
  H     12.06993422     11.49101296    -15.08516550
  O     13.71337539     12.00991119    -15.57748258
  H     11.08312120      9.05950082    -12.36197527
  H     10.78077621     10.77242921    -15.56520455
  O     17.24352730      9.99999564    -10.79113776
  H     11.40681606      9.62760362    -13.76431266
  H     16.30174932     12.84697270     -9.93415529
  O     15.17717070      8.17405523    -10.88866133
  H     13.68333408     12.74162206     -8.52079025
  H     15.21813305     12.70549479    -11.03878039
  O     12.42342858     14.63378738    -12.20508349
  H     13.63808399     11.19332973     -8.55793035
  H     16.11635710     10.47237735    -13.78779142
  O     13.17726730      9.88397063     -9.79365802
  H     14.39019152     11.20386818    -12.54346167
  H     14.89241445      9.47999395    -13.80244307
  O     17.80128843     10.90028612    -13.24775767
  H     13.09161407     11.90185506    -12.01176721
  H     10.47894057      8.83374059    -16.58924129
  O     11.21029835     11.15452561    -14.79090255
  H     17.19966465     12.72830863    -13.35096733
  H      9.62165717      9.59983898    -17.62717619
  O     15.84130583     13.33070677    -10.63083968
  H     16.56839969     13.63336527    -12.28656026
  H     15.76502151     11.73617071     -8.28027513
  O     15.16958121     10.39242489    -13.95927613
  H     11.48080121     13.14963986    -12.23669540
  H     17.20411836     11.69899512     -7.71560856
  O     10.36449955      9.69126554    -17.03731663
  H     11.08620036     11.95928966    -13.17624604
  H     15.27797211     14.14409660    -13.96092625
  O     16.70565358     11.69456670     -8.52812907
  H     13.89614996     12.90211598    -15.26157357
  H     14.59577860     15.26373650    -14.77662929
  O     14.42142075     14.45074102    -14.30785511
  H     14.28401348     11.41996272    -15.05858530
  H     10.99761459      7.74506525    -14.72007006
  O     10.95827855      7.43771552    -15.63577678
  H     17.11130420     10.49526385     -9.97676339
  H     11.87001951      7.23040024    -15.87695142
          69
 Energy    -248.80109197518752     
  O     15.76211623      9.04349114    -16.66875878
  H     16.39733286      9.30966648    -15.99427407
  H     18.89361537      3.31398740    -14.95263443
  O     14.15377989      5.68395120    -16.05544139
  H     14.93038940      8.88221598    -16.20986001
  H     18.20660153      6.89193899    -17.79301637
  O     17.76013573      5.55955671    -11.80788743
  H     15.10662007      5.78595799    -15.89946756
  H     19.16047624      5.68921783    -17.49606070
  O     19.51555586      3.88085389    -17.93106028
  H     13.77351460      6.56711291    -15.98005584
  H     17.50492810      6.13425511    -15.98607442
  O     13.70952485      7.02922046    -10.01183218
  H     18.64762828      5.51054744    -12.18186461
  H     16.80330657      6.45902837    -14.62639052
  O     13.76530944      4.73794653    -13.45982215
  H     17.33991297      6.32748459    -12.22546941
  H     12.46826955      8.76508877    -15.44147453
  O     16.53956474      7.57751345    -13.17774584
  H     19.96399703      3.63623247    -18.73716734
  H     13.39779137      8.11660521    -14.39117601
  O     17.01976663      3.15034252    -15.01508442
  H     18.64369553      3.45576862    -17.95684757
  H     14.59390379      2.24305130     -9.39653034
  O     12.72278766      4.43837179    -10.85036418
  H     14.55596201      6.57849330     -9.83933616
  H     14.00917216      3.41462532    -10.22354749
  O     19.65758889      7.88042227    -14.89526215
  H     13.49905322      7.52770140     -9.22697826
  H     15.84788927      4.22544546    -18.32527592
  O     16.98401290      2.71686815    -17.70647904
  H     14.57394398      4.27948389    -13.19376614
  H     14.73366946      5.14167614    -17.79282442
  O     19.80217847      3.62075485    -15.07308714
  H     13.81178574      4.88726711    -14.41351560
  H     21.08645297      5.47954249    -12.86513289
  O     18.85897420      6.54053061    -17.16364701
  H     15.58919279      7.65127131    -13.02739101
  H     20.10297537      4.87664036    -13.89206008
  O     16.83001363      5.83647483    -15.36268149
  H     16.86264323      8.40445170    -13.55849597
  H     15.70117936      3.11854893    -11.61704531
  O     13.30559637      8.31946222    -15.33593485
  H     16.96920907      4.11289855    -15.14472078
  H     16.68851632      4.14448868    -12.23523241
  O     14.83618750      2.97195581     -9.96062738
  H     16.67258833      2.99270467    -14.12908163
  H     16.70603289      5.62160377    -10.24500113
  O     15.30045517      4.98221199    -18.55875860
  H     12.88075870      4.48031433    -11.80370884
  H     15.69135597      4.66530650     -9.58707433
  O     20.20604229      5.57394360    -13.22082283
  H     12.87917303      5.33097556    -10.51870935
  H     16.37007265      7.99619907    -18.05711018
  O     16.06143617      3.43841666    -12.45245242
  H     19.50126619      7.46047979    -15.75478789
  H     16.23048685      6.60123112    -18.73702894
  O     15.97853436      5.58655316     -9.61041842
  H     19.86354060      7.16644480    -14.28257064
  H     13.76362536      6.48192051    -13.01496520
  O     16.80054734      7.37888324    -18.66652928
  H     16.59574832      1.88423269    -17.96468576
  H     13.69830311      7.45034261    -11.80960918
  O     13.79038703      7.42030910    -12.76992464
  H     16.92492144      2.76441134    -16.73656392
  H     18.44317570      9.08705093    -14.70333636
  O     17.67232807      9.67149298    -14.57677487
  H     19.91445807      3.70117427    -16.02671263
  H     18.01166054     10.55582312    -14.47169484
          69
 Energy    -248.80086100999910     
  O     11.12917558     10.87383738    -11.82115613
  H     11.95812932     11.25490142    -12.13437606
  H     15.16923472     12.31163973    -15.55297553
  O     14.08785049      8.00079331    -15.20440849
  H     10.64925349     10.58759737    -12.60901522
  H     16.46470111      9.27471025    -13.89603310
  O     17.75258263     10.05135748    -10.62808498
  H     14.62137139      8.20697474    -15.98139466
  H     15.73027724      9.04913784    -12.54622291
  O     16.06213020      9.04222922    -16.93974844
  H     14.67168629      8.21479675    -14.45897757
  H     11.03411938      9.51539444    -10.72655813
  O     12.41085931     10.18377803    -15.19728378
  H     16.79791455     10.17985376    -10.71362563
  H     10.44368736      8.84965859     -9.45898173
  O     15.68529021      5.98139751    -10.37143828
  H     17.86761288      9.16150547    -10.27156267
  H     18.66014184      6.81069396    -13.04651299
  O     13.10474176      6.34389549    -13.20955317
  H     16.52102423      8.19446866    -17.03027280
  H     19.32200155      8.18128057    -12.75082439
  O     15.02638821     10.04227109    -11.18302246
  H     16.59525589      9.55769293    -16.31801780
  H     10.56896685      7.64057516    -11.81398180
  O     15.24801701      4.56795179    -12.61938221
  H     12.89966950      9.34751453    -15.21006140
  H     11.31439419      6.85750079    -12.91927689
  O     17.34406962     10.49694245    -14.86751613
  H     11.50217609      9.98639671    -14.94185018
  H     20.08203637     10.59939820    -12.67856725
  O     17.33418381      6.60021190    -16.72118646
  H     16.50568017      6.45618732    -10.19176242
  H     18.72356687     10.18695713    -12.06296596
  O     15.60121563     12.71493405    -14.77663874
  H     14.96718728      6.62662794    -10.33037906
  H     16.56450070      5.51784249    -13.58693267
  O     16.00232121      8.61394435    -13.36168396
  H     13.75473912      5.64279936    -13.07795570
  H     16.74735908      7.04573648    -13.70386934
  O     10.97420409      8.67796223    -10.23185956
  H     13.36435866      6.81648176    -14.01288920
  H     18.60551783      7.22826494    -10.83934110
  O     19.27926732      7.26352314    -12.45818359
  H     14.51246172     10.60760364    -11.77586202
  H     18.79129818      6.98990291     -9.32222238
  O     10.49137235      7.32366014    -12.72250364
  H     14.46787930      9.29048344    -10.93974273
  H     14.91613237     10.58789915    -17.05277646
  O     19.25880354     10.16072203    -12.87738858
  H     15.43784388      5.01350363    -11.77231275
  H     13.59239515     11.02540495    -16.38523878
  O     17.14010469      6.19558156    -13.95972821
  H     15.20595304      3.63322425    -12.43686989
  H     13.38838357      7.31176519    -11.64160589
  O     18.16837750      7.30498873     -9.97253779
  H     18.09292247     10.48081407    -14.25580930
  H     12.66780212      8.01488601    -10.46125036
  O     14.40068365     11.36324381    -16.79515009
  H     16.87141363     11.33189673    -14.75335930
  H     14.29733949     12.07082416    -13.50818931
  O     13.53520963      7.74774718    -10.79044623
  H     17.29422244      6.38696576    -15.77606411
  H     13.19165846     11.04391077    -13.79776016
  O     13.62235453     11.53195481    -13.07999836
  H     18.00178636      6.02868079    -17.09203040
  H      9.02270740      9.57649973    -14.42083955
  O      9.91720348      9.59156111    -14.09198288
  H     15.74207644     13.63430756    -14.98670702
  H     10.07583445      8.73171076    -13.66246416
          69
 Energy    -248.80077020477407     
  O     17.12214188     11.70460123    -17.01944474
  H     17.52239816     11.36596723    -17.82864447
  H     18.36175274      6.59626902    -16.86125582
  O     16.52860431      5.53129092    -14.31826296
  H     16.16957031     11.78237790    -17.19179801
  H     18.13097419      6.10319996    -13.35718513
  O     16.04488067     12.49009453    -11.47889424
  H     16.37740123      4.60228646    -14.47521381
  H     18.51480057      7.19791622    -12.34563163
  O     20.85070659     10.22204547    -15.04857423
  H     16.80214749      5.91541114    -15.16772260
  H     19.53491531      9.69185008    -18.16854402
  O     16.23379312      8.23400803    -18.73580484
  H     16.41928710     12.62918118    -12.35572628
  H     20.22328481      8.44390661    -17.56984779
  O     14.03893830      9.37481620    -10.92262251
  H     15.08888986     12.42176937    -11.60100897
  H     17.19520916     10.09363610    -16.15210119
  O     15.28694184      7.45931981    -12.64056371
  H     21.67668231     10.69726594    -15.08715519
  H     17.71809939      9.53139278    -14.80870631
  O     16.82007883     12.41218855    -14.28127356
  H     20.61509948      9.99850052    -15.96686720
  H     14.08473265     10.81628644    -17.49758989
  O     20.84742775      7.32533445    -14.70329992
  H     16.59191662      7.58630886    -18.11550934
  H     14.15388682     11.82287618    -16.33448806
  O     14.60308812      8.87288643    -14.91412800
  H     15.34855049      8.44737972    -18.41684232
  H     17.29326705      9.17545058    -10.87348114
  O     20.17128620      6.57056527    -17.18121923
  H     14.81712536      9.62439636    -10.40695483
  H     17.99215795      9.29286336    -12.24727458
  O     17.44466190      6.77184910    -16.61289070
  H     14.30681811      8.62222674    -11.46360087
  H     12.86778085      8.51560395    -17.65294802
  O     18.88554832      6.53222455    -12.93946075
  H     16.08556750      7.88434884    -12.29111007
  H     13.94134346      8.80018483    -16.57821523
  O     20.23152198      9.40899825    -17.56476073
  H     15.59604145      6.69901012    -13.14867758
  H     16.68754688     10.72781369     -8.90167516
  O     17.21390108      9.30160002    -15.59828705
  H     17.09489637     12.39703830    -15.20724542
  H     16.38978341     11.18496967    -10.35010163
  O     14.38961867     11.70103076    -17.26476349
  H     15.88758814     12.14962542    -14.30053748
  H     19.42072106     10.45797780    -13.95659858
  O     17.58922645      8.66011921    -11.63254214
  H     20.91422004      8.28389594    -14.64941260
  H     18.05542023     11.19322423    -13.68505866
  O     13.73229130      8.89763901    -17.52242073
  H     20.21024176      7.04268743    -14.02947745
  H     13.45971879     10.91344653    -11.51008818
  O     16.44701304     10.40717193     -9.76652165
  H     14.66457356      8.36156641    -14.09826676
  H     12.49053574     12.11287939    -11.36623808
  O     18.59146479     10.41951548    -13.46054798
  H     15.52049588      9.03566554    -15.18488915
  H     13.71708689     11.73054669    -13.60775734
  O     13.27147794     11.81606669    -11.82497886
  H     20.46551305      6.77556360    -16.27294809
  H     14.23191093     10.61861553    -14.55784135
  O     14.14337051     11.57780046    -14.45943740
  H     20.78313113      5.93031317    -17.53270716
  H     17.39353043      9.49436686    -19.09504744
  O     18.05681928     10.19730202    -19.21456858
  H     17.42310613      7.67620413    -16.25912303
  H     18.08064445     10.39683893    -20.14665824
          69
 Energy    -248.80065936592081     
  O     12.82550360     11.90405969    -13.43400045
  H     12.89173731     11.41772433    -14.26762528
  H     18.52079942      7.40722945    -14.87107595
  O     14.85396866      6.35247177    -14.00064352
  H     13.64627773     12.40473049    -13.35712738
  H     17.33623086     11.74239858    -15.47576142
  O     18.77705964     10.71288708    -15.20477885
  H     14.20369737      6.35362567    -13.28597334
  H     16.06574044     11.70304163    -16.36023209
  O     11.56326178      8.06738279    -15.85778838
  H     15.70814998      6.20751235    -13.57116870
  H     14.61850216      9.49922655    -14.80476768
  O     16.40876452      7.58292681     -9.92012475
  H     19.25933568     10.40524161    -14.42909845
  H     15.11806627      8.13772252    -14.23189943
  O     13.35494554      6.52105528    -11.65702318
  H     18.45798305      9.90976710    -15.63859608
  H     11.09314587     10.74347468    -11.08736424
  O     16.02858402     10.59383052    -12.23368772
  H     11.49397994      7.98627558    -14.88880782
  H     12.13469722     10.90578920    -12.22173709
  O     15.66270589      8.03965425    -18.25153153
  H     10.68626688      7.93187387    -16.20629405
  H     11.45449196      8.75248374    -12.65301268
  O     15.43338837      4.91276971    -10.54310476
  H     15.62240312      8.12391147    -10.08160298
  H     11.95016954      7.29727275    -12.64608672
  O     17.47457898      8.38749874    -16.07442108
  H     16.08878386      6.68479646     -9.78656855
  H     20.94599848      9.62268141    -12.61685375
  O     13.95986348      6.73869448    -16.62277398
  H     13.89636756      5.87132719    -11.19344122
  H     19.46344163      9.45103846    -12.21535550
  O     18.97491161      7.06555561    -14.08946859
  H     13.66148447      7.39296227    -11.36388385
  H     17.82641280      6.39781120    -12.95006208
  O     16.48761762     12.18237081    -15.64241794
  H     15.86551814     11.50926213    -12.48660580
  H     17.02518911      6.85905675    -11.69916708
  O     15.37105478      9.05598319    -14.39374044
  H     15.89324205     10.05921334    -13.03157407
  H     17.79625519      8.82130431    -10.42867289
  O     11.76860465     10.27740624    -11.57221876
  H     15.82662807      7.49838740    -19.01892779
  H     17.51456744      9.96751572    -11.40948151
  O     11.44173819      7.93364480    -13.16416508
  H     15.04061227      7.54470487    -17.68640183
  H     15.30005606      9.80520118    -17.98955704
  O     20.07961786      9.43815555    -12.96941248
  H     16.06655252      5.15284828    -11.24128069
  H     15.04520927     11.19711844    -18.60683040
  O     17.09344829      6.16121720    -12.36143852
  H     15.64393600      4.02035646    -10.28058044
  H     13.33271542      9.48693993    -10.92687869
  O     18.23308239      9.46723463    -10.99430278
  H     16.78077600      8.68023281    -15.46271303
  H     14.82065505      9.63693344    -11.29750134
  O     15.04393470     10.71739569    -17.78140543
  H     17.02550569      8.18976698    -16.90132033
  H     15.78301198     12.80865398    -14.20884659
  O     14.19517411      9.06514489    -10.82802486
  H     14.31222517      6.45657840    -15.76753136
  H     15.71640441     13.97658791    -13.19578969
  O     15.40210775     13.09145292    -13.35638420
  H     13.09250557      7.11698768    -16.43505864
  H     12.61244654      9.59326765    -15.86789052
  O     13.21929993     10.32374200    -15.69145913
  H     19.45914806      7.81603489    -13.72212283
  H     13.72424151     10.50695182    -16.49376176
          69
 Energy    -248.80036811426996     
  O     16.33583848     11.87912418    -10.73247474
  H     16.00503065     12.06462634    -11.62113625
  H     15.41108744      7.30772427     -8.49291197
  O     12.93433449     13.01864888    -12.15646569
  H     17.15189377     11.37655528    -10.85899190
  H     19.63740119      7.47470536    -12.41787723
  O     12.81245232      8.60724302     -9.69162303
  H     13.69636868     12.83130941    -12.71606724
  H     18.89699515      7.76457176    -13.72732851
  O     13.95083482      6.17210968     -8.85774747
  H     13.30477554     13.38133490    -11.33919431
  H     18.79631444      8.88798714     -9.78624057
  O     11.13383025     10.83260779     -9.24391731
  H     13.09311296      7.74602195     -9.36152151
  H     17.96134397      8.02820843     -8.81417547
  O     10.85007555     11.33543608    -12.05539702
  H     13.53027547      9.23004825     -9.50431108
  H     12.26628075     11.79407068     -8.30899355
  O     14.30036786     13.77675320     -9.85493649
  H     14.12057732      5.78705753     -9.73691657
  H     12.67801398     12.47203004     -6.97921219
  O     17.62366987      6.66219938    -14.75697169
  H     13.62803526      5.46606673     -8.30464930
  H     11.56461415      9.64772833    -12.34419752
  O     15.35601745     12.19579900    -13.38250484
  H     11.54859222      9.96100155     -9.29316494
  H     12.33717223      8.69390987    -11.39908612
  O     16.11949709      8.20839747    -11.34792685
  H     10.93805608     11.07409887    -10.15726178
  H     20.25791863      5.66595661    -10.63847802
  O     17.04940947      5.69395589    -12.19017120
  H     10.10009656     11.76713468    -12.45519413
  H     19.30817601      6.82768552    -10.26589008
  O     16.10820431      7.97395742     -8.53740011
  H     11.59486475     11.96346788    -12.10776883
  H     14.95201576      8.28451058    -14.44092208
  O     19.49359711      8.16065832    -13.08164632
  H     13.87215548     13.35341168     -9.10053613
  H     14.29843809      6.90896497    -14.50698290
  O     18.84255678      8.12110082     -9.20045677
  H     15.11809915     13.28843267    -10.00827036
  H     12.01624356      5.92008717    -13.75060824
  O     13.00705362     12.21261564     -7.83533348
  H     16.70025004      6.94652434    -14.87752501
  H     12.46603667      7.22674721    -13.06542104
  O     12.08760614      8.83624002    -12.32583650
  H     17.89979342      6.27460774    -15.58343672
  H     13.86854998      5.56074680    -12.05229161
  O     19.51098053      6.16771265    -10.95296781
  H     15.89275868     12.36238775    -14.15263440
  H     15.32755353      5.23753710    -11.64701889
  O     15.02919290      7.42168286    -14.87028311
  H     15.11877658     11.25163717    -13.39768275
  H     17.50214715      9.39160743    -11.33617706
  O     12.78188465      6.37304239    -13.40415689
  H     16.41605190      7.35554845    -11.69009295
  H     18.86416925      9.56276653    -11.99006890
  O     14.41237201      5.21084813    -11.33682579
  H     16.06316697      8.11573515    -10.38914562
  H     15.17024999      9.14101858    -12.50056393
  O     18.28860245      9.95815724    -11.32154603
  H     17.88835384      5.72685655    -11.71035322
  H     13.71309949      9.43823792    -12.93715040
  O     14.63655306      9.60098242    -13.16706761
  H     17.25337151      5.89464310    -13.11339404
  H     15.33314196     10.88578534     -9.57480942
  O     14.82443680     10.38141029     -8.92463873
  H     15.68795576      8.84513567     -8.47648236
  H     14.28244102     11.01060130     -8.43268528
          69
 Energy    -248.80019186121245     
  O     12.56718912      3.75286112    -12.63991378
  H     12.06926540      2.93247790    -12.55945632
  H      9.12860558      7.05513950    -14.92091756
  O     10.94364510      1.51423480    -11.89154410
  H     12.26018699      4.31067599    -11.90768184
  H      6.96595181      4.23630641     -8.40530994
  O      9.08111354      5.27999190    -11.83670126
  H     10.61981483      0.74444147    -12.35307045
  H      7.50563868      2.97455414     -7.72139714
  O     15.30752304      6.79171034    -10.60334926
  H     10.17463992      1.91615392    -11.45427108
  H      9.93943966      5.66673818     -6.64302983
  O     14.16695076      5.46696287     -8.29273397
  H      9.07933104      5.77121416    -12.66682965
  H      8.40284853      5.78497696     -6.77877448
  O      8.90900131      2.85432046    -10.57180138
  H      9.97425338      5.37465484    -11.46722727
  H     11.61414736      5.54432845     -9.79598598
  O     10.56316935      2.98557711     -8.29034869
  H     15.29623333      5.91277877    -11.02670175
  H     12.02892328      6.30169967    -11.09356067
  O     12.05845071      6.18915402    -14.05794420
  H     16.20885841      7.10091105    -10.63607831
  H     11.19230097      4.64691931     -7.98831062
  O     11.52318285      9.68533062    -10.62750917
  H     14.46366794      4.57101194     -8.49932347
  H     12.45864115      5.56556917     -7.89007658
  O      8.11053806      7.26366544    -10.15378770
  H     14.54921775      6.02880026     -8.97648579
  H     12.18347225      1.47098684    -10.39805447
  O      8.70420603      2.76544590     -6.20685453
  H      8.88091731      3.66964353    -11.09370803
  H     11.96401216      2.03569528     -8.98912084
  O      9.47370872      6.98661929    -14.03475394
  H      8.17365199      2.90062862     -9.94283356
  H     14.34721686      4.04002847    -12.09420569
  O      7.11037989      3.29190642     -8.54261588
  H     10.00697636      2.98494504     -9.08200834
  H     15.16941303      3.73252619    -10.82602668
  O      9.10737478      5.44698785     -6.20967356
  H      9.99060264      2.76835813     -7.54401928
  H      7.30905434      6.58793893     -8.75047933
  O     11.57817260      5.51443171    -10.75636274
  H     12.25797125      5.28884033    -13.77252259
  H      6.17237490      6.58000149     -7.70617847
  O     11.48790763      5.56495150     -7.89516477
  H     12.48412658      6.77281425    -13.41423601
  H     13.82385254      7.49482278    -11.41095692
  O     12.62950863      1.62432941     -9.55808705
  H     11.66487600     10.56444941    -10.28694206
  H     12.57128520      8.44247073    -11.45702865
  O     15.14565895      4.29261338    -11.61307691
  H     11.18139475      9.14853218     -9.88890932
  H     14.15339114      2.38709302     -9.31510651
  O      6.96524539      6.11978745     -7.97114234
  H      8.27532082      8.01335362    -10.74375136
  H     15.59099770      2.26649976     -8.75903097
  O     12.97216162      7.65155233    -11.84057508
  H      8.34761410      6.48382578    -10.67456045
  H      9.63496674      7.76944574     -9.16023452
  O     14.98242632      2.87652372     -9.16689916
  H      8.83076572      3.72443776     -6.08542755
  H     10.85935598      7.27034181     -8.36685489
  O     10.45897795      8.06041785     -8.74803596
  H      8.62203802      2.38308142     -5.33803924
  H      9.24314343      8.42712063    -12.75791076
  O      9.05886304      9.03124472    -12.02743830
  H     10.40497305      6.71303916    -14.11689356
  H      9.91291299      9.33268574    -11.69665323
          69
 Energy    -248.79990924581480     
  O     17.95616441      5.24208314    -16.23700412
  H     18.55647893      5.14602615    -16.97190811
  H     18.01821667      6.21178581    -11.94924344
  O     17.40858336      6.02603234     -8.92442804
  H     17.98349522      6.17790774    -15.97412164
  H     18.83501082     10.52594174    -14.20125860
  O     13.70536157     11.11563620    -10.55164594
  H     17.51540807      5.74713781     -9.84968472
  H     17.48787348     10.73947425    -14.94130898
  O     19.75987792     10.26757265    -12.50950136
  H     17.93622691      5.42889807     -8.39961750
  H     16.11454749      9.66938986    -11.89581992
  O     17.46982321      3.79492748    -13.81402490
  H     14.00233083     10.86732809     -9.66712653
  H     16.98691956      8.38858471    -12.11408610
  O     11.86544712      8.96903338    -11.04440230
  H     13.01746345     10.48140997    -10.78575646
  H     16.01207542      5.36873740    -16.31166200
  O     14.52153196      5.79993479     -9.11419129
  H     20.64944516     10.59282146    -12.39915828
  H     14.81630466      4.88394875    -15.48330386
  O     13.80709969      7.72718442    -12.61055181
  H     19.24479936     10.59645310    -11.75199817
  H     15.52408337      9.65101450     -8.33962851
  O     18.16155790     11.06494361    -10.47253914
  H     17.74295567      4.22483014    -14.63400898
  H     14.91699092     10.56580199     -7.25206779
  O     12.88871984      8.00695197     -8.76235855
  H     16.54216439      3.56302962    -13.94478588
  H     14.35686683      6.07466362    -12.17384862
  O     17.72675079      7.81809382    -15.35750510
  H     12.16683287      8.57878337    -10.20182819
  H     15.70871464      5.37424473    -11.81517549
  O     17.57979531      5.41998984    -11.60746845
  H     10.91330374      8.99019336    -11.01460775
  H     15.69922856     11.37902629    -13.04785156
  O     18.39883275     10.44343945    -15.05824596
  H     15.46209712      5.86035683     -8.91478327
  H     15.07054348     11.44027550    -11.61014193
  O     16.16093671      8.71588066    -11.73654801
  H     14.47305154      5.47713090    -10.02246924
  H     16.55866409      8.74740808    -10.00442602
  O     15.08796169      5.56241225    -16.11431974
  H     13.06044375      8.13226265    -12.15383370
  H     17.17919364      7.92035385     -8.87046641
  O     14.71010049     10.10096405     -8.05890462
  H     14.61688079      8.09327451    -12.21721916
  H     15.27895966      9.89935587    -14.98782176
  O     14.75616122      5.23336398    -11.90740316
  H     17.38720345     11.37074643    -10.96733090
  H     15.07232234     11.32742577    -15.52796848
  O     15.90538412     11.43995461    -12.10789135
  H     17.85258242     10.37385936     -9.87528325
  H     14.88316737      7.26491613    -15.57188864
  O     16.90630723      8.81565313     -9.10102882
  H     13.45892974      8.68453768     -8.38188012
  H     14.47318443      7.98561409    -14.26581006
  O     15.52923138     10.82795771    -14.85448441
  H     13.42334741      7.20182669     -8.82898920
  H     14.00204363      2.87286922    -13.97520480
  O     14.94419808      8.11047683    -15.10193874
  H     18.06758508      8.72342567    -15.40826146
  H     14.57347471      4.12775121    -13.27655021
  O     14.61573537      3.59388434    -14.08852566
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  H     19.10967765      8.53360588    -12.60694675
  O     18.57241150      7.73979351    -12.72217926
  H     17.63549244      4.75318813    -12.30848828
  H     18.34461475      7.68423503    -13.66130094
          69
 Energy    -248.79987422074555     
  O     -1.05609679      6.21010571     -2.13960320
  H     -0.38532794      5.91781066     -2.75236978
  H     -5.33548854     10.66615841      3.53713544
  O     -5.65983532      3.78496059      6.41070835
  H     -0.60369679      6.41401700     -1.30538072
  H      1.07054763      6.95418066      0.48890181
  O     -4.54510411      7.47423531      4.81936752
  H     -5.28597932      4.58806368      6.81651434
  H     -0.27073397      7.72879467      0.44041345
  O     -2.99727776     10.37841511     -0.97641402
  H     -6.31086809      3.44395745      7.01744516
  H     -5.95124973      6.54385942     -3.46139296
  O     -5.60828894      5.09137012      3.90861341
  H     -4.74722785      8.31710039      4.39764817
  H     -5.89459993      6.99240650     -1.98283364
  O     -6.75886489      7.47841998     -0.55356870
  H     -3.58864789      7.34354107      4.73636922
  H     -1.77833160      8.78483399      3.87596566
  O     -3.92345933      6.55139953      0.86719441
  H     -2.91290785     11.20096889     -1.45049692
  H     -2.86386000      9.78014582      3.42143796
  O     -2.98514332      8.28710199     -2.67984835
  H     -2.98693251      9.66576778     -1.64101484
  H     -3.48286383      5.84099870      7.23591303
  O     -1.81168062      7.05033983      4.61622328
  H     -5.77532558      4.57505905      4.70602495
  H     -4.56759669      6.68478501      6.54317564
  O     -6.42983235      5.37219513      1.28458744
  H     -5.28312862      5.95590015      4.19960714
  H     -4.15925645      4.15759549      3.17625522
  O     -3.00429107      3.07333442      5.58084620
  H     -6.27033117      8.18157915     -0.10842527
  H     -2.71580020      4.26356209      2.60984691
  O     -4.81563140      9.87914968      3.39617926
  H     -6.82186547      6.75030773      0.08144171
  H     -4.33918458      3.71210113     -0.30038278
  O      0.14798027      6.86271196      0.26635072
  H     -3.69736920      6.09313366      0.04657959
  H     -4.30843821      3.22256903      1.16469380
  O     -5.35087109      6.70817710     -2.73922972
  H     -4.77687863      6.18238166      1.13351084
  H     -4.16877898      5.49994699     -1.97514245
  O     -1.92769040      9.56983182      3.33270698
  H     -3.81488337      7.80178257     -2.77291295
  H     -2.64279197      5.29922843     -1.74434829
  O     -4.42366501      6.05608553      7.26356309
  H     -2.29423592      7.62641331     -2.55477072
  H     -1.05944319      4.88559086      7.31733767
  O     -3.41245909      3.63661731      2.84515037
  H     -1.68265037      6.55113040      3.79656887
  H     -2.12135420      4.38985101      6.30658722
  O     -4.87110477      3.28249744      0.38157122
  H     -1.66401966      6.44429109      5.35263865
  H     -1.65505323      9.65826076      0.17755432
  O     -3.51658149      5.02706557     -1.43910091
  H     -6.04836878      4.56645189      0.90142299
  H     -1.32314616      9.36349669      1.66388815
  O     -1.73300310      5.18564338      6.71315607
  H     -6.36076766      5.27539050      2.24398222
  H     -4.41078147      8.27426566      0.80378399
  O     -1.04736193      9.18278773      0.75259255
  H     -3.91713162      3.12904374      5.88954393
  H     -4.26534761      9.68181333      0.17155610
  O     -4.81914804      9.15335566      0.75967179
  H     -3.04995059      3.10303762      4.61590879
  H     -0.95466817      5.99695755      1.57907893
  O     -1.67142420      5.75811669      2.17549657
  H     -4.88722342      9.65951907      2.45181243
  H     -2.47891212      6.12319588      1.77780010
          69
 Energy    -248.79986971937586     
  O     10.50066357      9.89493206    -10.66725920
  H      9.77119789      9.79534271    -10.06225849
  H     13.13821664     11.32982550    -10.08398099
  O     15.03419451     10.28739896    -13.09012676
  H     11.27948091     10.14545752    -10.13658296
  H     10.93762137     11.53443918    -17.81140826
  O     17.41307972     13.50842139    -13.92290936
  H     14.90599472      9.44251644    -12.63626123
  H     12.17494416     11.82803680    -16.93490199
  O     16.76341873      7.19526240    -13.42380929
  H     14.76524139     10.16538078    -14.00727893
  H     15.71530323     14.11091783    -13.33715205
  O     11.31190093     11.72079774    -12.64474216
  H     18.21494697     14.02147812    -13.85723912
  H     14.28557008     14.50454114    -13.77717725
  O     13.15081035     14.71447046    -15.26071303
  H     17.56444056     12.68934279    -13.42174426
  H     17.02203410     11.30576627    -16.26533329
  O     13.89093801     12.36379897    -16.65695799
  H     16.38426375      7.24536860    -14.31054600
  H     16.86053716     12.67206660    -15.56275573
  O     15.12421356      9.07480504     -9.23589415
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  H     18.29316355      9.46507589    -15.21140442
  O     13.88303066     12.23807857    -11.54912315
  H     10.88430216     11.17193382    -11.97459700
  H     17.18398712      8.95889856    -16.13927416
  O     14.02244725      9.75913645    -15.62540080
  H     12.16975835     11.97918550    -12.28416072
  H     15.56293213     11.90181675    -10.41690758
  O     18.91144356      8.84140911    -13.46670227
  H     13.01384031     15.57694054    -15.64452536
  H     16.91498551     11.31470192    -10.84327938
  O     12.77645662     10.67877047     -9.46742431
  H     12.27084160     14.36238696    -15.03809578
  H     11.41655823     10.46476394    -13.97581096
  O     11.23823692     11.56973923    -16.90676798
  H     14.86153715     12.31161005    -16.66441706
  H     11.18934317     10.27439721    -15.49051211
  O     14.83052529     14.30801429    -13.00525881
  H     13.67573435     13.17936351    -16.18706007
  H     15.08985425      8.39140465    -15.94226469
  O     16.54487926     12.14701794    -16.30630843
  H     15.53311765      8.73336643     -8.44494097
  H     15.43504366      7.11306723    -16.74042161
  O     17.80698942      9.68476720    -16.01391134
  H     15.62804960      9.86764637     -9.49278271
  H     11.39175658      8.60252546    -11.77133925
  O     16.30422997     11.37666789    -10.09646219
  H     14.16879436     13.06569003    -11.96564351
  H     11.71414844      8.48231770    -13.26594337
  O     11.43665213      9.80417171    -14.68460855
  H     14.25480209     11.51861975    -12.08410797
  H     18.18635454     10.39532851    -12.81439821
  O     15.74891323      7.68378138    -16.04373328
  H     14.06382458     10.64124518    -16.01699399
  H     16.70260589     10.82944276    -12.81948367
  O     11.93489663      8.11430831    -12.40247691
  H     13.12587862      9.64967407    -15.27892141
  H     10.75231204     12.84799409    -15.52301456
  O     17.59723466     11.12363650    -12.58239591
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  H     18.17141952      8.21069300    -13.39525459
  H     13.65364132      7.88196581    -11.94222882
  O     14.60640631      7.90810806    -11.76370501
  H     13.50043196     10.07271078     -9.27104381
  H     14.73875935      8.18873158    -10.84980440
          69
 Energy    -248.79980798196618     
  O     -5.22284512      4.63919374     -0.39771314
  H     -5.65060835      3.79381762     -0.56084060
  H     -5.51223806      1.78956106      3.59030547
  O     -3.94864763      2.55443834     -3.27548202
  H     -5.22080761      4.77921250      0.55796628
  H     -3.57917683      0.87219995      4.33811407
  O     -5.01070271      4.93514819      2.41123496
  H     -3.51736646      3.27162155     -2.77368359
  H     -4.49301452      0.39115002      5.49387959
  O     -4.51256397     -1.13925233      2.33425767
  H     -4.11050009      2.88755322     -4.15389385
  H      0.39989318      0.14202724      1.28144061
  O     -2.95289119     -1.54851964     -1.59766664
  H     -5.41327524      5.60937010      2.95287719
  H     -1.05993460     -0.30535371      1.49528538
  O     -5.75893587      1.78506636     -1.21336852
  H     -5.37963041      4.08169587      2.69837017
  H     -1.11814345      1.83388359      0.73427873
  O     -6.96566852     -1.59452324      1.06682029
  H     -5.39960755     -1.35877925      2.02238255
  H     -2.61699114      2.09368562      0.50356309
  O     -5.70569035     -1.10867186     -1.26182396
  H     -4.58679789     -0.66727480      3.17352591
  H      0.80571659     -2.35118469      0.34586254
  O     -1.91958211      0.95666454     -2.15984339
  H     -2.61606150     -0.66752486     -1.81815297
  H     -0.63739239     -2.72754060      0.72128604
  O     -2.15626439     -1.69040864      1.07930266
  H     -2.31243259     -2.18321763     -1.94300081
  H      2.63745515     -0.46776212      0.08729324
  O     -0.73112531     -3.13930115     -2.28831670
  H     -5.13284167      1.60193734     -0.49362317
  H      1.32461460     -0.53629503     -0.72832406
  O     -5.85145964      2.42045328      2.94347574
  H     -5.23426389      2.04418637     -1.98194241
  H     -2.12852665      2.38693910      3.55254558
  O     -4.47898451      0.56135304      4.55629186
  H     -6.54015134     -1.50786189      0.19308538
  H     -1.40601458      1.06114728      3.24521935
  O     -0.43844281      0.41710435      1.67163682
  H     -7.57666117     -2.32370123      1.00726082
  H     -7.43978801      0.25167683      1.13678802
  O     -1.73221751      2.41281785      0.26054575
  H     -5.78671275     -0.16430092     -1.43674597
  H     -7.15274289      1.45530499      0.22484007
  O      0.15709256     -3.06294391      0.28219911
  H     -4.78315506     -1.34366880     -1.43004166
  H     -4.15642666      0.42010747      1.28637732
  O      1.70129937     -0.63063170      0.16496217
  H     -1.78101337      1.47119198     -1.35393105
  H     -4.62656149      1.84016717      1.63372628
  O     -2.05596828      1.46214764      3.83242062
  H     -2.56746416      1.44038262     -2.68659236
  H     -2.25806912      3.85078662     -0.98050499
  O     -7.48774443      1.21550851      1.09636197
  H     -2.94852612     -1.65354063      1.63110447
  H     -3.60297384      4.59125033     -1.17209857
  O     -4.14233662      1.33151009      0.97056971
  H     -2.45930187     -1.64794377      0.16174376
  H     -2.03386846      3.69119778      1.79373094
  O     -2.78410686      4.33493349     -1.62629018
  H     -0.53547670     -3.95683937     -2.73745854
  H     -3.16695139      4.40909519      2.55896265
  O     -2.31533491      3.97047222      2.67159702
  H     -0.38343809     -3.22392164     -1.38201957
  H     -0.26783257      0.06500591     -2.35932825
  O      0.48660967     -0.53188287     -2.27478088
  H     -6.53303987      1.99161140      2.40265429
  H      0.13933487     -1.41715152     -2.43990497
          69
 Energy    -248.79976980095682     
  O     16.73030682      9.44696247     -9.76226551
  H     17.48437850      8.89549574    -10.03380041
  H     15.73478151      7.12652196     -8.01259688
  O     17.80771089      5.21647576     -9.95521954
  H     16.47818510      9.11884035     -8.89192241
  H     20.44230910     10.38189509     -9.26444847
  O     20.46866921      5.33885740    -12.76197311
  H     18.47027996      4.82653619     -9.37285674
  H     20.68744009     11.90318267     -9.34446488
  O     20.38096678      8.03505789    -12.69273705
  H     17.87423431      4.83882309    -10.84315219
  H     18.19633190      9.99119635    -13.08854421
  O     20.43287421      8.76297679     -8.40666377
  H     19.61134953      4.89936189    -12.77884860
  H     18.19097622      9.96364209    -14.63549717
  O     17.72235630      4.56488871    -12.61684830
  H     20.83420566      5.21934001    -11.87148761
  H     21.96649775      6.06226389     -9.88821288
  O     22.31978315      9.42399358    -11.31219340
  H     19.71970859      8.42671546    -13.27264502
  H     20.94278303      5.03330684     -9.37671656
  O     18.81245413      6.99396275     -6.91742598
  H     20.43951304      7.08100740    -12.86350515
  H     13.84176297      6.00043856    -13.91207270
  O     13.71739327      4.48071683    -10.96549917
  H     21.30855452      8.38171869     -8.55527229
  H     15.33525459      6.14811282    -14.24438939
  O     22.85350702      7.66695607     -9.32527476
  H     19.85581797      8.38036496     -9.08878189
  H     15.07866642      7.10346031    -10.54813553
  O     18.81318913      7.78691540    -10.38879265
  H     17.45297732      5.44921592    -12.90913679
  H     15.50079043      8.55746396    -10.81067839
  O     16.09495903      7.84771886     -7.46858122
  H     16.96911700      3.98653658    -12.78458888
  H     16.15436547      7.33309986    -12.58690824
  O     20.49013748     11.13504413     -9.87555703
  H     21.71378563      8.94143346    -11.89539008
  H     17.21144600      7.85336161    -13.59362103
  O     18.20357309      9.40260241    -13.86445507
  H     21.80098130     10.14383931    -10.93613875
  H     16.18390107      5.57926035     -9.43032200
  O     21.44911959      5.29308324    -10.15456936
  H     19.39010005      7.69423150     -7.24894966
  H     14.67138642      5.29458167     -9.67577771
  O     14.55990116      5.59552807    -14.41464602
  H     17.90806841      7.29606588     -7.05966385
  H     13.53571886      7.27152612    -12.05535254
  O     15.02386419      7.81518123    -11.20227682
  H     13.24755519      5.15083677    -11.47619841
  H     12.04645967      7.33670960    -12.46305858
  O     16.70858072      7.07210805    -13.33525270
  H     14.23166022      3.97664083    -11.60818486
  H     17.56314655     10.62951925    -10.97027606
  O     15.28707351      5.87624141     -9.20709446
  H     22.75870866      8.28039854    -10.07677799
  H     19.02281282     11.07741591    -11.11219814
  O     12.81897418      6.77801645    -12.48882524
  H     23.78151669      7.63864926     -9.10913609
  H     19.80706352      3.98513611     -7.30665852
  O     18.20951034     10.94648048    -11.61500532
  H     19.35549056      7.83431682    -11.18644990
  H     19.39157229      5.45778229     -7.54112575
  O     19.69073084      4.64432005     -7.98529523
  H     18.51899075      6.87567330    -10.26808427
  H     15.02066853      2.51085859    -13.61050006
  O     15.23610876      3.29951036    -13.11940687
  H     15.49019991      7.96549765     -6.73966738
  H     14.96727198      4.05643779    -13.67095397
          69
 Ord_Energy   -248.799362    
 O   -1.01832795       1.74457836       2.72745848    
 H  -0.611621201      0.888988972       2.83958578    
 H   -1.96829438       1.63597560       2.92113113    
 O   -5.10396004       4.72871685      0.629771173    
 H   -5.51641130       5.39098835       1.20408976    
 H   -4.69857931       5.18005371     -0.126751274    
 O    1.89472282       7.23786211      0.490595847    
 H    1.76685286       7.03284502       1.42492390    
 H    1.37899685       6.57916355       3.80764995E-03
 O   -2.36466479       9.72576714       3.86480141    
 H   -1.46547425       9.61911869       3.50216508    
 H   -2.49217963       10.6558104       4.02737808    
 O   -4.97526979       2.04227185      0.712799072    
 H   -5.75286245       1.64848936      0.326983213    
 H   -5.10126591       3.00790715      0.678520322    
 O   -2.87544107       5.26507378       2.24653196    
 H   -3.56363106       4.96352959       1.63915730    
 H   -2.96717358       6.22656870       2.28878641    
 O   -3.37741280       7.96948862       1.89986002    
 H   -2.79634070       7.98591805       1.12681746    
 H   -3.06383967       8.63323593       2.52465701    
 O   -2.25242376       2.09895229      -5.45687787E-02
 H   -1.77951145       1.98057294      0.772701144    
 H   -3.19102287       2.00573468      0.158073813    
 O   -3.85903096       4.02341986       4.51524162    
 H   -3.48403835       4.46374226       3.73610497    
 H   -4.47733498       4.65960550       4.89075422    
 O   -5.85353804       6.70868397       2.38436127    
 H   -5.78384876       6.55613708       3.33375788    
 H   -5.10582733       7.28166437       2.16161680    
 O   -1.73824382       3.85516477      -2.07106185    
 H   -1.90716076       3.20054078      -1.37058353    
 H   -1.66966057       3.37139130      -2.88986087    
 O   0.840163827       6.58254099       3.11531329    
 H   0.574035645       6.49626780       4.03939819    
 H   0.490312129       5.78908873       2.68651032    
 O   -3.63243961       5.89701986      -1.35835028    
 H   -3.08408141       6.65034533      -1.10906780    
 H   -3.02611494       5.22736502      -1.69863153    
 O   -5.29913568       6.31036234       5.21596813    
 H   -5.83762169       6.62019539       5.93902254    
 H   -4.42714357       6.73523235       5.31459665    
 O   -2.83281255       7.42192030       5.42006969    
 H   -1.98095441       6.97919226       5.50276661    
 H   -2.66596556       8.25403881       4.95944738    
 O   -1.21513760       3.52886891       5.22405434    
 H  -0.982439339       2.91211486       4.52649498    
 H   -2.17094183       3.66456175       5.13936663    
 O  -0.352592945       4.35748100       1.92692792    
 H  -0.385117412       3.43380284       2.19396877    
 H   -1.25563288       4.69893169       2.04253078    
 O   -3.66271734       1.59899235       3.18086076    
 H   -4.21437788       1.66802204       2.39199996    
 H   -3.88313603       2.36183810       3.73416400    
 O   -1.79234203E-02   5.46954918     -0.557441890    
 H   -9.07437578E-02   4.99938297      0.286992878    
 H  -0.492684245       4.93477535      -1.20431614    
 O   0.522292495       9.52049446      -3.70473787E-02
 H    1.00778592       10.1494684     -0.563296199    
 H    1.10653067       8.75065422       9.18542221E-02
 O  -0.297807157       6.06219101       5.65245485    
 H  -0.573992550       5.13932323       5.51383591    
 H   0.125988483       6.09345341       6.50700235    
 O    1.14198802E-02   9.25602055       2.74961996    
 H   0.183829367       9.47494888       1.82666814    
 H   0.303503036       8.34255791       2.87125444    
 O   -1.67803872       7.74123621     -0.308519065    
 H   -1.05334485       8.47584248     -0.320161521    
 H   -1.13292718       6.94298220     -0.357448339    
          69
 Energy    -248.79925955548026     
  O     12.38699882     12.79721936     -8.96469534
  H     12.02352482     13.24429219     -8.20556974
  H     16.60806515     12.93261482    -18.39515877
  O     13.02092518     10.08947118    -15.05726777
  H     12.95059556     13.44216356     -9.43118275
  H     12.86457185     13.26091869    -13.42433588
  O     14.09975573     10.51882657     -9.09176582
  H     13.70885882     10.08455922    -15.73961938
  H     12.30439170     14.65040500    -13.05172186
  O     17.73008457     14.18051932    -13.30442399
  H     12.37108093     10.77372767    -15.26350117
  H     11.47609870     13.81439646    -17.92380302
  O     11.29982812     11.83597075    -11.38511620
  H     13.68919012     10.04731019     -9.83002192
  H     11.60890975     12.96207533    -16.65256624
  O     12.99119244      9.61373676    -11.50779460
  H     13.53614867     11.28402483     -8.92487112
  H     14.87278796     12.30224689    -13.03698161
  O     13.30432714     16.16726437    -12.55899951
  H     18.59402668     14.56824030    -13.19448318
  H     14.02732270     11.38986346    -14.01164781
  O     11.73797970      8.21925590    -13.57172685
  H     17.82240350     13.47293826    -13.96841932
  H     17.54261828     12.33671485    -15.99503806
  O     14.57286725     13.83160594    -16.09311918
  H     11.50455729     12.56442133    -11.98810899
  H     17.68939916     11.28502698    -14.88098674
  O     15.21972072     10.10379225    -16.66571737
  H     11.52519212     12.14497210    -10.49920591
  H     17.27384097     10.55432655     -9.26001248
  O     10.98567570     12.07799737    -15.21857080
  H     12.44080391     10.40991744    -11.51220859
  H     15.75783915     10.69560072     -9.54224099
  O     16.48020613     12.54563963    -17.53354124
  H     12.54895510      8.97985238    -12.08531983
  H     14.74143514      9.52327112    -12.09092809
  O     12.04011721     13.75125506    -13.27338253
  H     14.08501442     16.04294106    -13.12842441
  H     16.12768766      9.85851409    -11.51403822
  O     12.11101369     13.50104247    -17.28500999
  H     13.08650349     17.09452328    -12.59317248
  H     16.55693030      9.51279412    -13.78300694
  O     14.29251705     12.29378778    -13.80813595
  H     11.71759661      7.37031247    -14.00415285
  H     17.63693474      8.75448302    -14.58746570
  O     17.91364765     12.19413868    -15.11540089
  H     12.23774117      8.82120123    -14.15376883
  H     16.29483881     12.22488231    -11.04287041
  O     16.64527156     10.78465044     -9.93764930
  H     13.71551743     13.79160691    -16.54043315
  H     16.63087327     13.34037763    -12.09751042
  O     15.68384740      9.52441795    -12.30231551
  H     14.52343368     13.25924728    -15.31195977
  H     10.30572046      9.54797881    -13.40187819
  O     17.08091663      9.52915328    -14.60356200
  H     15.87094803      9.82826066    -16.00636079
  H     10.16305317     10.84572197    -12.58744077
  O     15.91656352     12.90199310    -11.61682017
  H     15.60045845     10.87806523    -17.09472684
  H     15.13849996     15.18283599    -14.94542582
  O      9.82808003     10.38523957    -13.36870595
  H     11.26020318     12.77125356    -14.59989151
  H     16.23436681     15.26028910    -13.86591488
  O     15.43020580     15.69173639    -14.17663421
  H     10.43219225     11.47361617    -14.70369245
  H     14.68177462     13.94050924    -10.76862013
  O     13.97239706     14.46098561    -10.36588463
  H     15.80207557     13.07889152    -17.08222770
  H     13.71944223     15.11659780    -11.02521570
          69
 Energy    -248.79909072115584     
  O     13.66682219      8.69594866     -9.84935646
  H     14.12015023      9.53201793     -9.68011705
  H     13.98385815      6.75699557    -17.12429624
  O     15.11091696      5.14511496    -13.03530717
  H     14.28315163      8.00250587     -9.58503189
  H     17.66212198      5.21788833    -15.29829441
  O     15.45328702     12.05369022    -12.09305922
  H     15.49696111      4.77272146    -13.83764511
  H     17.79563176      6.74288821    -15.32101538
  O     17.75616389     11.45244505    -13.69918673
  H     15.41019035      6.06595022    -12.96837746
  H     16.04839374      9.71568833    -15.64184972
  O     11.29390324      8.03721384    -15.97547181
  H     16.26273097     11.90451273    -12.59609901
  H     16.50067661     11.05844424    -15.04752070
  O     15.79745850      6.83922136     -9.10287466
  H     14.72231551     11.80138836    -12.67312257
  H     16.26145550      8.24886606    -12.04967600
  O     12.79719504      6.43634615    -14.11747991
  H     18.47813817     12.06581801    -13.81218546
  H     14.84170603      8.16943315    -12.66911743
  O     13.60290578     10.98708233    -13.89687907
  H     18.14131803     10.64288131    -13.32018406
  H     16.34884323      5.01397315    -11.60442950
  O     13.71968430     10.39659241    -17.47767037
  H     11.63665211      7.40837969    -15.32916318
  H     17.75104520      5.64224167    -11.44885110
  O     16.03324866      4.23715069    -15.58819931
  H     11.78111392      7.87737656    -16.79334353
  H     18.98860737      8.31727661    -12.61625806
  O     16.40807629      7.99643559    -15.43621466
  H     15.85096858      6.42862403     -8.24392517
  H     18.28815758      9.25181722    -11.63244589
  O     14.39688833      6.28650832    -16.38966841
  H     16.20865266      6.21922875     -9.73122436
  H     20.02674095      6.03393921    -12.46501324
  O     18.27547020      5.93376971    -15.09587921
  H     13.37321863      5.80339297    -13.67160434
  H     18.86858156      6.16905937    -13.47719350
  O     15.81106435     10.65421384    -15.58749737
  H     12.79311685      7.22274135    -13.54828875
  H     16.49063322      9.75811157    -10.10258735
  O     15.75621357      7.87421927    -12.77818511
  H     12.81427141     11.02517225    -14.45206600
  H     16.71764416      8.25147831     -9.86077454
  O     17.01177912      5.27147710    -10.95070833
  H     14.35288757     10.83689125    -14.49122484
  H     12.88578984      7.85715974    -19.16982254
  O     18.78093156      9.24562898    -12.46715426
  H     12.95877359     10.66888373    -16.94961373
  H     13.36277387      8.78686191    -18.02789214
  O     19.13895324      6.37012262    -12.56403557
  H     14.50190935     10.59510008    -16.94683208
  H     15.28533174     11.75136275     -8.96585602
  O     17.01377775      9.00048194    -10.39338576
  H     15.45024096      4.89726725    -16.00068405
  H     15.30052092     11.47774091    -10.48922318
  O     13.07671003      7.87895173    -18.23627915
  H     15.84728188      3.40255912    -16.01084414
  H     10.62899134     11.14743538    -15.79863811
  O     15.26392262     11.05221038     -9.61295890
  H     16.24510365      7.99554958    -14.47888893
  H     11.34844406      9.77901957    -15.73687354
  O     11.48663404     10.74237364    -15.70316107
  H     15.72326124      7.44592368    -15.83737333
  H     13.20809027      9.50705364    -12.90182129
  O     13.09813201      8.62731761    -12.51798046
  H     13.80485845      6.36403974    -15.62636901
  H     13.16528179      8.68356522    -11.55271049
          69
 Energy    -248.79852363969451     
  O     13.01121221      7.23953844     -8.70418262
  H     12.93074675      7.42638000     -7.77208110
  H     12.60163251      6.32827829    -15.43495055
  O     14.06827736      5.42175309    -15.89921548
  H     12.29446866      6.61941091     -8.93122962
  H     16.07878517      8.66123072    -12.40285940
  O     17.13563547      6.74880652    -14.53843572
  H     14.70762656      5.93390892    -16.41014157
  H     14.79070865      8.16251140    -13.11263656
  O     10.08323076      5.85262282    -13.13126147
  H     14.59002489      4.86227061    -15.31298987
  H     12.80017961      7.06170673    -13.50904161
  O     17.76542920      4.64560298    -10.08983553
  H     16.89973747      6.85644768    -15.46885020
  H     12.86493401      7.73008327    -12.09424740
  O     11.49910999      3.83292493    -11.64735824
  H     16.67752683      7.44388554    -14.05078507
  H     11.12084875      4.96757825    -10.17373055
  O     16.84457641      8.10375319    -10.94191905
  H     10.53406041      5.09547886    -12.73826871
  H     10.36422481      6.29490376     -9.98544210
  O     13.16542489     10.43818943    -12.91439762
  H     10.61465747      6.13446127    -13.88833882
  H     18.67116843      6.08360979    -13.75380322
  O     18.00764271      3.22579098    -12.39688584
  H     16.91592660      5.04365707     -9.85984063
  H     19.01673010      4.75984323    -13.04443011
  O     14.99482040      9.32372758    -15.92726644
  H     18.38277944      5.38253117    -10.18233668
  H     14.71255024      4.42345323    -12.65471172
  O     12.22112268      9.64045923    -15.36005413
  H     11.41806666      2.88407167    -11.70015836
  H     13.79368364      5.59324312    -12.23198650
  O     11.87969775      6.83590793    -15.03093414
  H     12.44075790      4.04182545    -11.77051763
  H     15.64841990      7.96603642    -16.77347611
  O     15.56029547      8.74324092    -13.21919995
  H     17.75675793      7.79845514    -10.87158532
  H     16.36643981      7.28776219    -17.96882961
  O     13.34800190      7.17743126    -12.72105774
  H     16.30279443      7.41183757    -10.54028433
  H     16.61776435      3.77051417    -13.51230089
  O     10.96433619      5.68132197     -9.54309992
  H     12.74563276     10.04849227    -12.13537277
  H     16.33306620      5.14528269    -14.14373940
  O     19.34934792      5.64861519    -13.21822055
  H     14.07955757     10.13362294    -12.89739569
  H     19.46889007      6.48302730    -11.68593166
  O     14.06260848      4.69061518    -11.99207401
  H     17.88796169      3.67377626    -11.53988610
  H     20.28108603      7.17944306    -10.56810528
  O     16.03090183      7.12744629    -17.09150890
  H     18.39083086      2.37339133    -12.20892465
  H      9.69131421      6.99753157    -11.90883402
  O     15.93559343      4.27973100    -13.96906404
  H     14.04423784      9.47927600    -15.88104407
  H      8.64417986      7.85198394    -11.15179394
  O     19.40770939      6.87329642    -10.79561799
  H     15.29304675      9.26140359    -15.00964076
  H     14.56875213      6.41149601     -9.36917898
  O      9.56005084      7.58882612    -11.14442950
  H     12.48650765      9.96610865    -14.48173989
  H     14.88341632      5.45134453    -10.54019099
  O     15.29130847      5.98098233     -9.84061663
  H     11.64240108     10.30097630    -15.73248600
  H     11.14907609      8.50648208    -10.94152108
  O     12.06031450      8.82435871    -10.87372567
  H     11.95563065      7.76008288    -15.29842666
  H     12.44062729      8.43057285    -10.07832562
          69
 Energy    -248.79846284230962     
  O     11.20734719      7.87646749    -13.99298095
  H     11.63320408      7.51536649    -14.78187310
  H     19.94052573     11.28623914    -15.30037099
  O     16.92831731      6.50848501    -13.75962639
  H     11.32817459      8.83248809    -14.02203073
  H     14.44897737     12.23019287    -15.13555896
  O     16.35657488     10.70795246    -12.25681570
  H     16.61517134      6.20420680    -12.89658590
  H     14.06508328     10.98770646    -15.91207039
  O     15.28137824      9.63279555    -16.25774091
  H     17.49671738      7.27784515    -13.60869907
  H     13.98017990      7.47219014    -14.67971430
  O     13.74446458      4.13085292    -15.35669840
  H     15.42792324     10.43823955    -12.22582593
  H     15.40238377      7.42264795    -14.03094172
  O     15.76787703      8.37834944     -8.66894104
  H     16.65771135     10.76814219    -11.34153114
  H     11.45295137      6.90033718    -12.56431506
  O     15.75905973      5.86420772    -11.31767871
  H     15.24787040      8.99170743    -16.97551352
  H     10.76957878      6.04517601    -11.47318924
  O     13.77880434      9.73456844    -12.28819072
  H     15.10784824      9.11670819    -15.45659397
  H     18.48385318      9.20316359    -10.14904986
  O     14.92500140      7.32518732    -17.84878010
  H     13.46721204      3.23724708    -15.53818183
  H     18.85085162      8.49966400    -11.46640774
  O     17.67100012      6.32409327     -9.32850452
  H     13.73782353      4.23593584    -14.38762685
  H     14.44862528      4.86227659    -12.21113089
  O     16.10368997      5.49360385    -16.23410903
  H     14.97457875      8.13357432     -9.16371062
  H     12.93518486      5.10776018    -12.39123602
  O     19.26723243     10.66999581    -15.02435789
  H     16.36730832      7.62496867     -8.73733137
  H     16.28843844     10.99086088    -15.41437882
  O     13.68058010     11.74344730    -15.44383919
  H     15.09608136      6.52020422    -11.05944781
  H     16.55398657     11.45580203    -13.95385855
  O     14.61694415      7.97141092    -14.15408865
  H     16.43382195      5.87490682    -10.62767242
  H     17.55276881      9.44056647    -12.87161993
  O     11.62153937      6.33105557    -11.79263674
  H     14.05526701      9.07089692    -12.94413797
  H     18.74815450      9.37544408    -13.84783779
  O     18.91801595      8.41856274    -10.50556146
  H     13.01134091     10.17693345    -12.66614122
  H     17.31279124     11.14700344     -8.87460895
  O     13.67324547      4.57289804    -12.70847983
  H     15.07459098      7.10579946    -18.76421047
  H     16.62708851      9.80155468     -9.21160117
  O     16.67029600     11.70421717    -14.88252285
  H     15.43278042      6.68220247    -17.31996267
  H     12.96974241      7.16706917    -10.78052896
  O     18.25488858      8.85890269    -13.19617673
  H     18.19143346      7.02630798     -9.75994914
  H     13.75298679      8.46875140    -11.02199794
  O     17.18196828     10.51461312     -9.57597502
  H     18.28037839      5.80868168     -8.80774900
  H     12.35145474     11.12855921    -14.47589243
  O     13.74773029      7.65864220    -10.49104672
  H     16.53633197      5.78646520    -15.42027728
  H     10.97804668     11.35858499    -13.80740272
  O     11.68947105     10.72819971    -13.88524297
  H     15.38732084      4.90917965    -15.95663889
  H     13.40201350      6.99282255    -16.71401714
  O     12.85273280      6.72026334    -15.96834199
  H     18.42853581     11.15688869    -15.05666296
  H     13.04522362      5.78466586    -15.81421204
          69
 Energy    -248.79835340817903     
  O     -5.17852435      3.47131725      3.20922625
  H     -5.88932970      3.35072139      3.83249345
  H     -0.76524185     -1.09750141     -3.82588903
  O     -2.03633485     -2.13819438      0.71060344
  H     -4.44828313      3.90217999      3.69091263
  H     -0.79248040      3.25688550      3.35234470
  O     -1.81292032      4.74595144     -1.88158301
  H     -2.33930908     -3.03745544      0.80484344
  H     -0.38483787      2.40986299      4.56614718
  O     -3.77370598      1.82105330     -0.97045541
  H     -2.58887670     -1.73108343      0.01989503
  H     -1.97945459      6.33862840      1.64997733
  O      1.72262923      5.13868559      1.22297888
  H     -1.52912733      3.84484290     -2.08561667
  H     -2.51653372      7.62224946      2.32525655
  O     -1.13893320      3.04678990      1.65842670
  H     -2.77624527      4.71482630     -1.83808259
  H     -3.74107008      1.70836737      0.83213979
  O      0.25202624      0.64428712      4.38331930
  H     -2.87061297      1.88198538     -1.31556159
  H     -4.19820195      2.23565049      2.24002640
  O     -3.39162213     -0.95735191     -1.34225085
  H     -4.20247361      2.65465288     -1.19941274
  H     -2.86613406      5.45725181      3.70589747
  O     -1.73477893     -0.21123175      2.76231615
  H      2.18994866      4.35368926      0.91407544
  H     -2.24282997      4.25752341      4.46195795
  O      2.52222846      2.05576983      3.30479258
  H      1.76125402      5.09748070      2.18660689
  H     -1.18071551      1.18899139     -2.59089014
  O     -4.65228405      4.43300968     -1.49015278
  H     -2.02669696      2.66448254      1.65330402
  H     -0.55021957      1.88106963     -1.36055975
  O     -1.12935200     -0.63498487     -3.07664932
  H     -1.15508071      3.90784629      1.22152831
  H      1.90212612      5.26760822      4.81497242
  O     -0.63140339      3.30680209      4.30995835
  H      0.36236972     -0.02654800      5.05182665
  H      0.84271710      4.30190214      4.23549255
  O     -2.64094833      6.67799225      2.27913651
  H     -0.43605752      0.31676834      3.77584903
  H     -5.07701639      4.68204132      1.75720868
  O     -3.54181929      1.69977408      1.77909228
  H     -3.70907197     -0.05352457     -1.22006658
  H     -4.13202584      5.85460662      1.44152816
  O     -3.06761455      4.73909880      4.32030382
  H     -2.73482775     -0.90976940     -2.04873815
  H      1.40609646      1.86146665      0.16299593
  O     -1.20163330      1.99900318     -2.06745283
  H     -2.41472716      0.42303566      2.49924370
  H     -0.04116922      1.96772642      0.71055179
  O      1.71379956      4.70118432      4.07118173
  H     -1.78913240     -0.92696711      2.11847805
  H      0.36860580     -0.26884484     -0.38935854
  O     -4.82550768      5.30170622      1.06178888
  H      1.79097308      1.50681900      3.61342969
  H     -0.45284362     -1.56137830     -0.18161166
  O      0.51162643      1.51612432      0.05723047
  H      2.36387242      2.93983403      3.65923574
  H      3.89474987      2.40619988      0.45041213
  O      0.19299973     -1.14362429     -0.76440876
  H     -4.74031579      4.77602497     -0.58273205
  H      2.88990057      2.33935727      1.62724532
  O      2.99539840      2.60535377      0.69539997
  H     -5.35119803      4.82914314     -2.00331403
  H     -1.13260679      5.37080018     -0.37060166
  O     -0.89529721      5.58151028      0.54473253
  H     -0.58397598     -0.87336085     -2.30396384
  H      0.06225123      5.50284903      0.66803703
          69
 Energy    -248.79822087410071     
  O     18.09312662      6.85840666     -9.53285412
  H     17.64077583      6.08122860     -9.88887460
  H     15.82451319      6.75289562    -18.19772106
  O     15.66060827     10.57327335    -14.10773253
  H     17.49463932      7.24079201     -8.88103265
  H     17.03598700      7.82808223    -14.88392340
  O     13.32207692      6.88700010    -13.33603894
  H     15.78822070     11.44659932    -14.47019975
  H     16.19403735      9.09006100    -15.15547840
  O     13.01329401      3.52285602    -15.91775738
  H     16.27099292     10.49499006    -13.35260066
  H     13.41443715      3.78520155    -14.13326221
  O     13.15062276      9.71313073    -13.10690660
  H     13.33468493      5.92118610    -13.39135126
  H     14.66267974      4.21139214    -13.30597572
  O     15.39895480      9.52597195    -10.02503160
  H     14.13472745      7.12253044    -12.85782166
  H     15.48417121      8.06383718    -11.15740548
  O     17.26462081     10.31045308    -11.94426819
  H     12.91428732      4.48065784    -16.06948031
  H     15.71974750      6.51834737    -11.25161607
  O     12.40116101      4.10509061    -10.81531053
  H     12.31574154      3.09088322    -16.40221079
  H     18.89368080      7.79619529    -10.76304458
  O     15.86514376      3.92751944    -16.11022825
  H     13.07259975      8.78799864    -13.36926952
  H     20.20593473      8.40015680    -11.31487941
  O     16.06902576      7.96398737     -7.81771297
  H     13.98381556     10.03135139    -13.47810357
  H     12.21989819      7.93917640    -10.45910040
  O     13.00252100      6.23039672    -16.15050185
  H     15.62373075      9.10682539     -9.18400698
  H     12.53961454      6.93852248    -11.57262110
  O     15.54928385      6.51034855    -17.31792042
  H     14.44692059      9.68538546    -10.04034103
  H     14.22973718      5.37055615     -8.63596854
  O     16.52743945      8.28559066    -15.56751169
  H     16.66368895     10.16156851    -11.20074925
  H     13.46269593      6.55550930     -9.26029111
  O     13.69818964      4.14162270    -13.28153457
  H     18.00130411      9.70071467    -11.82198366
  H     12.00112494     10.50850202    -10.24581475
  O     15.48040664      7.30785297    -11.75591216
  H     12.12887143      5.02254180    -10.69804121
  H     12.77182748      9.86012465    -11.42281467
  O     19.27682202      8.30086274    -11.50322729
  H     12.78727164      4.04245154    -11.70157955
  H     13.69880989      3.67000399     -9.75988125
  O     12.25290453      6.99400105    -10.65208827
  H     14.95374528      3.61406308    -16.14679065
  H     14.40566930      2.75579060     -8.72778296
  O     14.08436941      6.32088082     -8.56017767
  H     15.85805106      4.78168810    -16.56152278
  H     18.39626318      7.35617024    -12.89366251
  O     12.62118611      9.81665781    -10.45995770
  H     16.08064329      8.06843580     -6.87051102
  H     16.87196431      7.18951761    -12.87129011
  O     14.49099470      3.57935688     -9.19928171
  H     15.34022550      7.35034347     -8.02759276
  H     16.54598702      4.52532482    -11.60093501
  O     17.66286160      6.98134529    -13.39418876
  H     13.83819909      6.40405956    -16.60614978
  H     15.84581952      4.34578983    -10.21259375
  O     16.46883017      4.89024685    -10.70937600
  H     13.07716325      6.64834170    -15.28572648
  H     17.00054448      5.24506699    -13.51698291
  O     16.50428509      4.41575008    -13.48076269
  H     15.91941616      7.17993664    -16.71408320
  H     16.39023517      4.13642952    -14.40170696
          69
 Energy    -248.79821859071006     
  O     -4.53592281      0.49121250      1.39412007
  H     -5.14008728      1.22650313      1.33888815
  H     -0.36595325     -3.71919887     -1.04520716
  O     -3.76453216     -2.18664792      5.51342323
  H     -4.30578113      0.38724688      2.33516601
  H      0.48973606     -5.21716726      0.63580454
  O     -0.98712081     -0.00845027      3.80761948
  H     -4.00188896     -3.10595376      5.68102837
  H     -1.01883790     -4.94560132      0.75847351
  O     -3.75832740      0.14742280      3.94158706
  H     -2.81739466     -2.11957858      5.69957720
  H      2.13206654     -0.07482562      3.42484052
  O      1.83501197     -2.60430120      5.65370798
  H     -0.28655269      0.61892140      3.59879561
  H      2.38157451     -1.44501431      2.78335932
  O     -4.05831383     -5.07270297      5.35342315
  H     -0.95315981     -0.68554057      3.11234685
  H     -1.34649373     -2.69144506      1.84468052
  O     -0.93883774     -2.09002323      5.62536600
  H     -3.94102175     -0.54196348      4.59058756
  H     -1.32077664     -1.30943749      1.10478503
  O      1.26494157     -5.16271704      4.45218398
  H     -2.79413785      0.23383477      3.92104937
  H     -3.04493962     -4.04993158      2.24729193
  O     -4.63974565     -3.46859416      3.07076612
  H      2.09247016     -1.99023281      4.94284430
  H     -1.79062013     -4.53262846      2.99496462
  O     -2.14898636     -0.05967334     -0.00356188
  H      2.48457581     -2.50925234      6.34556176
  H      1.91923484     -1.95369440      0.39425331
  O      2.08796284     -4.99669114      1.73314507
  H     -3.10044751     -5.08304330      5.18396685
  H      0.84718223     -2.16825903      1.48193117
  O     -0.44155737     -2.91568719     -1.58169704
  H     -4.24571139     -5.82928786      5.90229735
  H      2.12236252     -1.19214218     -2.08991662
  O     -0.31280047     -5.09823249      0.11598243
  H     -0.00767586     -2.28464853      5.79170754
  H      0.86499743     -1.81654984     -1.43756188
  O      2.48765054     -0.95182024      3.60845152
  H     -0.93851657     -1.30679296      5.05582287
  H      0.95783879      1.29496611      1.86634482
  O     -0.89401578     -1.84026533      1.78959900
  H      1.57634670     -5.16628886      3.53837784
  H      1.47198387      2.37353156      2.84659204
  O     -2.12291569     -4.29891941      2.11674634
  H      1.56813736     -4.33382297      4.84381240
  H     -0.46450322      0.72978703      0.10493827
  O      1.78414406     -2.31530894      1.27832197
  H     -4.33662183     -2.75884074      3.65118158
  H      0.94202212      0.28400002     -0.31896047
  O      1.62137252     -1.21982686     -1.27998455
  H     -4.70103604     -4.22951977      3.66114502
  H     -3.81184164     -2.27356397     -0.83961183
  O      1.17938217      1.46754316      2.79937975
  H     -2.45718021     -0.67132553     -0.68481890
  H     -3.71864796     -2.21069923     -2.37900322
  O      0.47404246      0.92495387      0.22944252
  H     -2.93434402      0.23795887      0.47376395
  H     -1.29695817     -3.80065570      5.04603663
  O     -3.19843973     -2.13567842     -1.58304236
  H      2.92356814     -5.30637174      1.39168614
  H     -0.48803325     -5.06445616      4.68524984
  O     -1.39062179     -4.72229471      4.76702793
  H      2.05041307     -4.04077015      1.55843250
  H     -4.88096092     -1.27658301      0.82859444
  O     -4.88332053     -2.20166323      0.54931628
  H     -1.38228405     -2.72046085     -1.64228774
  H     -4.94300907     -2.71747209      1.36184317
          69
 Energy    -248.79809339221035     
  O     -1.74857859     -3.01041854     -0.16711011
  H     -1.37247102     -2.12820047     -0.26952181
  H     -1.40250825     -6.73343265      1.77892040
  O     -1.29856386      0.31736353      6.43164335
  H     -2.66126422     -2.90128897      0.14107829
  H      2.78834671     -4.39940967      3.45507236
  O      0.79762307     -1.79323238      3.27196899
  H     -0.70606169     -0.44591580      6.41882930
  H      2.28313535     -2.96078483      3.74834033
  O     -1.21886427     -0.00380193      2.49400916
  H     -2.19061365     -0.04860131      6.45619059
  H     -1.02389209     -3.61112255      1.45585670
  O      1.94467371     -4.16432453      6.60529625
  H      0.23158287     -1.03606466      3.07195479
  H     -0.44747786     -4.70935958      2.43480111
  O     -3.76793639     -1.12610945      6.29513465
  H      0.28793611     -2.57107980      2.98490832
  H     -3.59054359     -4.64777057      3.31163905
  O      0.16106217     -2.06686629      6.02893822
  H     -2.01159256     -0.46835907      2.79460622
  H     -2.17497373     -4.02151228      3.36493892
  O     -0.30918101     -5.64726756      5.66320618
  H     -1.10393856      0.77645818      3.05719633
  H      2.37029798     -5.46140770      1.43640527
  O     -0.66583365     -0.42163061     -0.14627606
  H      2.35178264     -4.02612658      5.73022675
  H      3.37858400     -6.43076851      2.10054706
  O     -0.03369013     -6.38148519      3.00262482
  H      2.65359181     -4.32753262      7.22074529
  H     -3.31970952     -2.34335670      3.55068917
  O     -4.40148082     -5.46170966      1.86603999
  H     -3.31417848     -1.97321792      6.44022655
  H     -3.70076946     -1.08574336      4.32822349
  O     -2.08454919     -6.64458479      1.09921857
  H     -4.50771942     -1.10703931      6.89719404
  H      1.75912280     -3.74132457      0.09941480
  O      2.81537032     -3.68258434      4.10189661
  H      0.79744573     -2.70156249      6.38136598
  H      0.96174407     -4.97377748     -0.41375823
  O     -0.74463068     -3.79221109      2.36139682
  H      0.39746003     -1.93123631      5.10238170
  H      1.58386678     -1.84008030      1.43535464
  O     -3.00992065     -4.09988315      3.85182597
  H      0.48523843     -5.24500843      6.03735342
  H      0.98303890     -1.38065160      0.11080164
  O      2.63841436     -5.85925225      2.28584839
  H     -1.04400066     -5.15113722      6.03510944
  H     -1.16873400     -4.50023849     -0.88241206
  O     -3.47796019     -1.39378790      3.44242992
  H     -0.88233694     -0.20132365      0.77669507
  H     -0.94166092     -5.50133352     -2.04034123
  O      1.77247158     -4.70737381      0.03238945
  H     -0.84176420      0.35886330     -0.66487860
  H     -0.52365359      2.81894020      4.59955312
  O      1.66066000     -1.95783826      0.48233991
  H      0.91273827     -6.35215027      2.81452551
  H     -1.01001352      1.45354149      5.11962475
  O     -0.78297131     -5.36462863     -1.10956327
  H     -0.15151148     -6.21553547      3.95073378
  H     -2.57133394     -3.75322448      5.52275247
  O     -0.86897683      1.97861173      4.31262309
  H     -3.59781857     -5.91951925      1.55884255
  H     -1.42074626     -2.99500417      6.25861010
  O     -2.25883486     -3.46174662      6.39442120
  H     -5.11244684     -6.09486857      1.81920568
  H     -4.41129014     -3.62513402      1.26513871
  O     -4.21746781     -2.73116382      0.95375120
  H     -1.63452419     -6.33359749      0.30476738
  H     -4.16295017     -2.16663079      1.73367593
          69
 Energy    -248.79801450125220     
  O     14.55879989     11.14720056    -10.68623492
  H     15.18978225     11.25326872    -11.41185179
  H     18.72165584      9.61884625    -10.84023389
  O     15.11947571      7.37791349    -15.33912318
  H     15.03896411     10.69470314     -9.98330172
  H     17.00712284      7.84772268    -12.95560080
  O     14.88700474      4.96595011    -11.31446735
  H     15.21375320      6.48243120    -14.98502860
  H     15.67092313      8.05483906    -13.70809675
  O     19.18275930      6.45881331    -10.67744644
  H     14.17842927      7.51536192    -15.50026684
  H     13.02900178     10.67365754    -11.33014083
  O     15.10939418     11.47159293    -15.36469687
  H     13.93526916      4.80993821    -11.30820403
  H     11.52588061     11.01018211    -11.45447340
  O     15.09346737      7.56526836    -10.46105860
  H     15.01640220      5.84687666    -10.93068637
  H     12.22416468      5.08648263    -13.38050774
  O     19.30989351      9.00662569    -14.99671989
  H     19.05399053      6.67218806    -11.61822252
  H     13.39627246      4.91474938    -14.36464853
  O     12.30558449      7.58861367    -15.53754864
  H     20.11969261      6.31777752    -10.55586109
  H     12.64062129      9.27555210    -14.77424167
  O     18.60227031      6.94012632    -13.30814464
  H     14.81102249     12.25798149    -15.81296854
  H     12.66599608     10.20749139    -13.53686771
  O     16.89068024      9.38775901    -16.13483781
  H     14.31068025     10.99720664    -15.06827959
  H     18.06190256      4.88485086    -10.92239056
  O     18.03955779      4.25793437    -14.00241725
  H     15.44378450      7.87393215    -11.31122200
  H     16.64162115      4.32912471    -11.20101822
  O     18.44993538      9.16039002    -10.03189610
  H     15.40214772      8.18495961     -9.79089962
  H     16.19271091      4.57993653    -14.22416199
  O     16.14131674      8.27099328    -12.89278146
  H     19.98712329      9.23530223    -15.62715827
  H     15.16506493      4.97102502    -13.14057564
  O     12.19244534     10.39289082    -11.74428694
  H     18.45428037      9.17943387    -15.43027347
  H     11.35212699      4.67600593    -10.98467181
  O     12.46846047      5.17674351    -14.31054193
  H     12.27540554      6.73593293    -15.06895341
  H     12.07211071      6.00246910    -11.33270050
  O     12.95304255     10.13016873    -14.45521240
  H     11.76543679      7.48757038    -16.31726466
  H     19.21537034     10.00371627    -13.28912052
  O     17.58344074      4.15717597    -11.33789666
  H     18.45579843      6.08577531    -13.73242174
  H     18.13699577     10.82807497    -12.57569673
  O     15.29291472      4.90165191    -14.09808469
  H     18.93944054      7.56960770    -13.95988234
  H     12.16388856      8.55957009    -11.28018800
  O     12.05066020      5.04465403    -11.51792641
  H     16.34255664     10.16235565    -15.96015057
  H     13.28595347      7.66926678    -10.72825231
  O     19.00700371     10.42333188    -12.44832193
  H     16.31310858      8.62579379    -15.98882442
  H     16.23849487      9.76497893     -7.90233210
  O     12.35469372      7.66095016    -10.99123404
  H     17.92041359      4.12281523    -13.04317506
  H     16.97522208      9.50771556     -9.23876999
  O     16.09480490      9.61260087     -8.83184322
  H     18.53110335      3.51011199    -14.33019951
  H     15.95481319     11.33988223    -13.70126514
  O     16.31216149     11.05204524    -12.85315626
  H     18.68488659      8.23349461    -10.14628547
  H     16.25452652     10.08352512    -12.85134062
          69
 Energy    -248.79795894089449     
  O     13.17374026     13.27260293    -13.63590660
  H     12.78021234     12.46530236    -13.98710021
  H     14.34330984      6.61941111    -14.43439926
  O     17.58218669      6.97884639    -14.59672276
  H     13.65394776     13.67668468    -14.36940184
  H     16.59386650     10.59311098    -14.99447944
  O     19.41285199     11.45361728    -13.02242949
  H     16.94137891      6.35970088    -14.22675375
  H     17.64317786     11.16173399    -15.98050522
  O     17.11969423     13.96195314    -14.37795483
  H     17.19826995      7.28249919    -15.42740175
  H     14.52002293      8.80860039    -17.88142608
  O     15.41958702      5.45848576    -13.47560862
  H     19.22506840     10.51032932    -12.90944289
  H     13.00015471      8.96207527    -17.68335089
  O     16.74749335     10.73667196     -9.84451199
  H     18.78504814     11.92398911    -12.46587111
  H     16.99905094      9.81346278    -13.06963990
  O     15.12154074      7.18599777    -11.42717125
  H     17.77787890     13.51114702    -14.92044715
  H     16.42603495     11.23999394    -12.80516310
  O     14.30085229     13.52110034    -11.19771609
  H     16.33083893     14.06727967    -14.92252141
  H     13.22140336     11.08134693    -15.51935444
  O     11.79985247      8.39314032    -16.24540903
  H     15.35239946      4.54803325    -13.20236946
  H     12.08073761     10.06768083    -15.33101109
  O     17.48542285      8.17848336    -10.20836289
  H     15.32674957      6.00565570    -12.67372990
  H     18.24495849      8.48347656    -11.88610240
  O     15.92973011      8.12019027    -16.68731414
  H     15.77793477     10.72540387     -9.87677319
  H     18.25544203      8.13375837    -13.41499281
  O     13.90893690      7.40683826    -14.78625359
  H     17.01330898     11.47234820    -10.40345669
  H     14.70767087      9.76272002    -12.93333040
  O     16.81876396     10.66421555    -15.93451467
  H     14.58444708      7.94720119    -11.66956126
  H     13.24592348      9.91637983    -13.41198754
  O     13.75148169      9.31630525    -18.17366176
  H     15.89472283      7.52394883    -10.95728340
  H     16.07020183     13.08374407    -11.57947503
  O     16.25949497     10.40699077    -13.26411621
  H     13.86387075     13.46057654    -12.06631258
  H     17.03830128     13.27607611    -12.76697153
  O     12.55134807     10.78292167    -14.88694149
  H     13.96514895     14.30557021    -10.77207815
  H     19.91680210     12.44555669    -16.03213149
  O     18.45747605      8.82377744    -12.76420243
  H     12.49586940      7.92083543    -15.75725382
  H     19.29835039     11.96744574    -14.69646901
  O     13.80627038      9.42206324    -12.79844432
  H     11.05929378      7.79622498    -16.31652766
  H     14.11966462     10.93300968    -17.45395008
  O     16.91550988     12.78200156    -11.93902019
  H     17.25965261      9.10815520    -10.02017274
  H     15.30599061     11.34062086    -16.54926122
  O     19.08668458     12.26690497    -15.59917244
  H     17.89891005      7.83080727     -9.42286987
  H     13.76521513     10.36456292    -11.08085604
  O     14.42048801     11.61256062    -16.83439348
  H     16.29637224      8.99288263    -16.48143865
  H     13.98994868     11.78540281    -10.53261751
  O     14.01999877     10.85048317    -10.28895519
  H     15.24937288      7.93324053    -16.02574791
  H     14.45112169     14.82500779    -16.52160418
  O     14.68163808     14.14947514    -15.88852717
  H     13.89073313      8.05416486    -14.06876315
  H     14.55499409     13.29352685    -16.33296501
          69
 Ord_Energy   -248.797638    
 O   -8.01468277      -2.46169090     -0.521607101    
 H   -8.57075787      -1.67545760     -0.455943406    
 H   -7.11077976      -2.13373065     -0.594920278    
 O   -4.56052923     -0.833457172       6.00052547    
 H   -5.12812138     -0.233673453       6.49896097    
 H   -4.90553761      -1.72286749       6.14491653    
 O   -5.42759657      -1.21923971     -0.626321673    
 H   -4.78260994      -1.40368879      -1.30357277    
 H   -5.02083635      -1.46529543      0.224763632    
 O   -8.40045738      -3.33881187       6.16824055    
 H   -8.60955620      -2.41354513       6.35202503    
 H   -8.70647240      -3.51266932       5.26735163    
 O   -8.57440281     -0.528558135       6.36606073    
 H   -9.30958843       9.35178995E-02   6.30684757    
 H   -8.12499714     -0.525514543       5.50538683    
 O   -9.77603817     -0.895715117       2.65349412    
 H   -10.0569592      -3.96903306E-02   3.00103426    
 H   -9.61843300     -0.747141063       1.71005821    
 O   -6.42962313      0.773974895       7.47358990    
 H   -7.20542574      0.255710840       7.19997406    
 H   -6.40700245      0.750393748       8.42797470    
 O   -8.25178337       3.44615936      0.743948698    
 H   -8.05714512       3.56383491       1.68369555    
 H   -7.64140177       2.76435018      0.433230519    
 O   -7.34420109     -0.599683344       3.89565372    
 H   -8.15575409     -0.696257472       3.37827706    
 H   -6.84367371      -1.41941619       3.79063082    
 O   -7.75381947       3.13998652       3.51368380    
 H   -6.96431923       2.61700678       3.31378055    
 H   -7.76784897       3.24702644       4.47517395    
 O   -6.69977999       1.09898150      0.310693115    
 H   -6.30501175       1.18963850       1.18953919    
 H   -6.22076702      0.383864164     -0.127187505    
 O   -10.4573517       1.53701222       6.04522228    
 H   -10.4868116       1.66072750       5.08144045    
 H   -11.3267555       1.74734104       6.37633371    
 O   -10.2014599       1.81183851       3.33279443    
 H   -10.5629015       2.03018570       2.46531916    
 H   -9.33286667       2.24079967       3.38055038    
 O   -3.39128828       2.30524596E-02   3.70893478    
 H   -2.48453474      0.251843154       3.89384389    
 H   -3.77552915     -0.294758290       4.54597950    
 O   -5.73365736       1.35664129       2.91595769    
 H   -4.83603048       1.08155024       3.13114643    
 H   -6.31398535      0.678872943       3.29993272    
 O   -9.26051807       5.65329986E-03   8.38679224E-02
 H   -8.37661839      0.395115167      0.168017700    
 H   -9.88279629      0.740910649      0.115593717    
 O   -8.97374535      -3.52738643       3.39482856    
 H   -9.38471985      -2.67881322       3.18568683    
 H   -8.98982811      -4.04118443       2.57261658    
 O   -7.93096495       2.97613573       6.26563072    
 H   -7.31532669       2.35074115       6.66508961    
 H   -8.80450726       2.57555413       6.34915495    
 O   -8.82128239      -4.64784956      0.918098032    
 H   -9.02493858      -5.35361004      0.311058819    
 H   -8.51978016      -3.90175915      0.371928006    
 O   -6.18397617      -3.10837030       3.48917317    
 H   -7.10704899      -3.37768960       3.38315892    
 H   -5.91464281      -3.34815407       4.38470411    
 O   -10.7385569       2.39711761      0.619916558    
 H   -9.88032627       2.86058617      0.596440434    
 H   -11.3495035       2.91962314      0.107992627    
 O   -5.69786358      -3.44950747       6.24508667    
 H   -6.67053175      -3.45307088       6.30475092    
 H   -5.38899899      -4.20836353       6.73273754    
 O   -4.39131784      -1.84808612       1.77569175    
 H   -4.98225546      -2.39418054       2.31277061    
 H   -3.97007346      -1.23116636       2.38469338    
          69
 Energy    -248.79763445095011     
  O      9.31803043     11.38038630    -11.26830465
  H      8.36841658     11.46425032    -11.21129036
  H     10.14502479      9.92446600    -10.31375529
  O     13.83231628     10.38673372    -17.93385599
  H      9.53108075     11.33821983    -12.21447852
  H     11.98014917     13.16709255    -12.14424419
  O     12.11186333      8.19523716    -12.01282643
  H     14.33689906     10.42134642    -18.74152247
  H     11.54175061     12.31649470    -13.36637290
  O     14.33146508      9.90398261    -15.20062921
  H     13.66031810     11.30836390    -17.66580960
  H     16.56989419     11.31578403    -12.25255193
  O     13.19697764     11.91235974     -9.27905414
  H     11.52593775      8.39814778    -11.26698727
  H     15.34667840     10.44124341    -11.90545833
  O     13.24179038     12.82951537    -16.91381186
  H     12.81462147      7.60838674    -11.71139280
  H     15.16997242      8.58423433    -14.12293738
  O     11.73062446      9.14237561    -14.53684971
  H     14.27775810      9.95254933    -16.16345138
  H     16.09982444      8.85326681    -12.94706162
  O     14.57074660      8.47099402     -8.94202977
  H     14.49093323     10.80414004    -14.88586057
  H     14.91046932      7.25687388    -12.09091854
  O     13.57624487     10.59209635    -11.71157220
  H     12.90473348     11.26735088     -8.62460615
  H     14.67908205      5.92336589    -11.34236381
  O     12.39164161      9.64432447     -7.84254150
  H     13.35280119     11.40347598    -10.08946190
  H     10.63522022     10.49544687    -14.11083170
  O     16.50339250     13.19894316    -12.36263984
  H     13.73548938     12.90520117    -16.08606866
  H     10.04928605     11.75822117    -14.78634179
  O     10.57134121      9.12255318     -9.98818179
  H     12.30455600     12.82860942    -16.68703499
  H     16.24716234     12.02406213     -9.43574389
  O     12.30033996     12.75205544    -12.95834389
  H     12.63587546      9.41390335    -14.74562953
  H     14.87867853     12.69984570     -9.49122249
  O     16.31457154     10.42169755    -11.99803532
  H     11.77763364      8.66518264    -13.69646981
  H     13.75499610     12.77767286    -13.92341881
  O     15.64035299      8.13739343    -13.40781320
  H     15.35968952      9.02349010     -9.00042402
  H     15.28864386     12.88843458    -13.82245828
  O     14.48016198      6.85567852    -11.31444839
  H     14.57250447      7.90094740     -9.72005370
  H      9.77808671     12.72486854    -17.15810977
  O     10.13419401     11.30735624    -13.93662864
  H     13.06371080      9.78266201    -11.82756602
  H     10.58126577     11.43719471    -16.85173820
  O     15.80541426     12.82696309     -9.73571631
  H     13.12940969     11.30051345    -12.19334422
  H     16.76011755     10.17183708    -10.30201539
  O     14.57745196     12.62960931    -14.41788316
  H     12.30250917      9.36701409     -6.93497192
  H     17.76496106      9.87641805     -9.16401651
  O     10.38431628     12.33687592    -16.53220434
  H     13.16425290      9.17342948     -8.20584716
  H     11.86128377     13.01244685     -9.97166572
  O     16.86396178     10.14003231     -9.33516450
  H     16.20913151     13.16035299    -11.43479206
  H     10.49799992     12.79800583    -10.66258628
  O     11.21321629     13.43689188    -10.55143542
  H     17.16448291     13.88497640    -12.40669175
  H     12.01483378      9.86501178    -17.58437896
  O     11.12562186      9.80841611    -17.21231105
  H     11.09270901      9.36350570     -9.21277997
  H     11.22672032      9.39017513    -16.34608329
          69
 Energy    -248.79720885979060     
  O      3.74311165      1.28138202      6.73906282
  H      4.38012171      1.45783300      6.02362025
  H      3.11852840      3.13417393      6.66446729
  O      1.49155535      3.49656095      0.22761331
  H      4.24301186      0.92847866      7.47028958
  H      1.97310080     -0.01656496      2.36188210
  O     -1.34238141      3.39154720      0.23180892
  H      0.53753135      3.56710985      0.10150370
  H      2.29565279     -0.21955292      3.85050978
  O     -0.28483259     -2.47787275      1.73415262
  H      1.86495136      3.02178489     -0.53313659
  H      2.68414958      3.76539270      1.55193382
  O     -1.61882498     -1.62688739     -0.43528016
  H     -1.96830518      3.95778233     -0.21223743
  H      3.73306620      2.81726091      2.21037529
  O      4.84857301      0.43785271     -0.57851022
  H     -1.72862324      2.49675829      0.22978311
  H      3.03616908     -2.25678580      0.24515826
  O      0.79585095     -0.31509307     -0.97442108
  H      0.62926519     -2.77854215      1.74435140
  H      2.33592667     -1.32417370     -0.76493817
  O      1.24671176      3.23709077      4.26062974
  H     -0.42093092     -1.99097313      2.56092334
  H     -3.63725413      0.96517642      3.88434209
  O     -1.09466892      2.68490152      2.97695652
  H     -1.16346293     -1.97304447      0.35589660
  H     -2.29573818      1.49406673      3.31950047
  O      5.42147396      1.97446919      4.71006264
  H     -2.13587491     -2.34344288     -0.79147612
  H      0.09138826      1.29268125      1.98745107
  O      4.73851997      4.73147045      4.37015153
  H      4.31461745     -0.37791951     -0.56275197
  H      1.19598919      1.87078989      1.08120858
  O      2.81173290      4.00517515      6.38311831
  H      5.60811666      0.25769574     -1.12634341
  H      3.96441922      0.57299448      2.42409290
  O      2.59221253     -0.45951883      2.96353632
  H      0.77718418      0.11149900     -0.10462412
  H      4.79663327      0.99963727      1.18680678
  O      3.24795930      3.64708956      2.32853166
  H     -0.03021705     -0.80825846     -1.02855157
  H      3.37252293      1.43909310     -1.34871946
  O      3.19600297     -1.69357669     -0.52092931
  H      1.63466303      3.59742980      5.07061132
  H      1.90002706      1.08162845     -1.62773300
  O     -2.88563188      0.71853699      3.35165778
  H      1.91101848      3.34747647      3.56791137
  H      2.94683010     -3.63184156      2.49224128
  O      0.86480878      1.04970996      1.46947186
  H     -1.14918218      3.14837486      2.13304690
  H      2.61568433     -2.12537897      2.37152794
  O      4.60297522      1.22731641      2.10438979
  H     -0.31742256      3.00083324      3.45916584
  H     -2.21323892      0.06065340      0.12555652
  O      2.53085486      1.81461996     -1.63329191
  H      5.35766626      2.93586243      4.64860579
  H     -2.73030670      0.74024032      1.41065934
  O      2.54386532     -2.98432142      1.91965287
  H      5.29816691      1.64688584      3.80991532
  H     -1.46739757     -0.42853203      3.90802368
  O     -2.45849860      0.91491366      0.50169662
  H      4.21229921      4.47041022      3.59512394
  H     -0.05504108     -0.45331588      4.55494533
  O     -0.67008139     -0.96137799      4.01436165
  H      5.19739483      5.53297322      4.13230839
  H      1.30069338      1.48286930      4.88084073
  O      1.44982136      0.60091683      5.24990406
  H      3.51589188      4.36613584      5.82881364
  H      2.16700545      0.70917836      5.88758052
          69
 Energy    -248.79713973746010     
  O     15.83829743      4.94109997    -13.00066749
  H     16.59879668      4.76669749    -12.43247108
  H     18.42059978      7.72523741    -15.30959230
  O     15.43850445     11.83500803    -12.53623004
  H     16.11103121      4.86308304    -13.92666397
  H     14.75079827      8.31949683    -16.25580064
  O     18.17907084     11.08092117    -13.15749631
  H     16.34229581     11.67879268    -12.82883878
  H     15.94971847      9.29463681    -16.15003516
  O     10.79780373      7.80859374    -15.46746595
  H     14.86846051     11.65287562    -13.29440886
  H     15.88276836      6.84423750    -13.08175429
  O     15.67249962      6.23115684     -9.83675066
  H     18.15785860     10.37954014    -12.48325024
  H     15.08940199      8.18286989    -12.90614287
  O     12.55986155      6.62254428    -13.60969518
  H     18.89424161     11.66772799    -12.92568515
  H     18.43323516      5.44363823    -11.54613788
  O     13.70344624     10.85335366    -14.61604074
  H     11.09480745      7.40899633    -16.29411771
  H     18.42374624      4.13099944    -10.72653873
  O     12.73627323      9.57245770    -18.03365837
  H     11.26506498      7.33716006    -14.76533706
  H     14.36403283      4.86954926    -12.09754841
  O     16.53121179      5.14389309    -15.60294068
  H     16.41353424      5.72073241    -10.18696591
  H     13.30381967      4.10713170    -11.26640022
  O     17.40345075      9.15096361    -15.02210126
  H     14.88377450      5.91000168    -10.28641673
  H     17.18142502      8.51278181    -12.02570129
  O     14.14083128      6.62266754    -15.95773999
  H     12.72996813      5.97832815    -12.91508856
  H     17.54652282      8.94330570    -10.59117005
  O     18.85650229      6.85675612    -15.31307263
  H     12.78951836      7.48306569    -13.22146727
  H     18.96119091      7.49760082    -12.11201842
  O     15.03771394      9.22285430    -16.45643995
  H     14.21385495     10.34622450    -15.26275947
  H     19.18853619      6.68734151    -13.41614380
  O     15.95339259      7.80448154    -13.11859781
  H     12.80228914     10.89066472    -14.96159572
  H     16.53662272      8.77555887     -8.16249755
  O     17.85654115      4.80740244    -11.08606100
  H     13.62087400      9.57497409    -17.64183132
  H     16.12764923      7.84150896     -9.32535514
  O     13.58926229      4.98271252    -11.51692686
  H     12.16792577     10.01953287    -17.39405757
  H     12.30399901      7.87008175    -18.04852720
  O     17.88484481      8.91981032    -11.49476574
  H     15.76236746      5.67449237    -15.85649362
  H     11.82195200      6.55167468    -18.70257010
  O     19.27367505      6.65012254    -12.45613996
  H     17.30407747      5.72010389    -15.61590813
  H     14.82912635     10.91104866    -11.06303232
  O     16.46268927      8.73103331     -9.11197062
  H     17.73699867      9.91573813    -14.53729069
  H     15.11912652      9.85521411     -9.95593165
  O     12.10141164      6.93293839    -17.87512543
  H     16.83099669      8.66356359    -14.40526532
  H     10.34281379     10.94949399    -15.73125451
  O     14.41339363     10.28415938    -10.45033206
  H     13.48778187      6.58060091    -16.66852108
  H     10.98893498      9.54941971    -15.61436463
  O     11.17498404     10.48846524    -15.79406824
  H     13.64788231      6.57069283    -15.12719393
  H     13.49254786      9.64155694    -13.28228329
  O     13.48339935      8.94850027    -12.60880843
  H     19.54465628      6.89651328    -15.97329185
  H     13.68719725      9.36694074    -11.75909638
          69
 Energy    -248.79697812231186     
  O     10.07252908      6.59987566    -12.89759213
  H     10.51517642      7.41137022    -13.16792676
  H     15.92502934      6.67112217     -9.33746593
  O     12.96636085      5.46623079     -8.06638118
  H     10.45918793      5.89901289    -13.43692099
  H     16.09678588      6.53702199    -13.81152355
  O     16.77172201      8.21315525    -13.63200324
  H     13.87365798      5.55147165     -8.38627627
  H     16.07268517      4.97282429    -13.98140621
  O     17.03244325      3.42161235    -13.90258538
  H     12.56551208      4.73034398     -8.54532138
  H     13.43675943      4.96274403    -11.73968908
  O     16.72186530      8.35262560     -9.69412949
  H     16.26959061      8.64035944    -12.92563397
  H     14.58157024      5.76897077    -12.39431367
  O     13.75900586     10.77779073    -13.82241799
  H     16.33969832      8.48487657    -14.45537269
  H     10.38159021      6.50969004     -9.72895110
  O     11.48379959      7.66724544     -8.62540700
  H     17.62282740      3.69012335    -13.17322054
  H      9.99666466      6.08398176    -11.17031657
  O     13.21635660      6.71549861    -15.06072955
  H     17.57134179      2.96918161    -14.54496509
  H     12.39831186      8.09138673    -10.15438371
  O     15.14666089      2.44173377    -11.97050730
  H     17.09028964      8.99003985     -9.08638189
  H     13.21281451      7.25605319    -11.19138577
  O     18.44275244      4.22828947    -11.77578468
  H     16.21572763      8.85874158    -10.34993034
  H     18.02985580      7.42972172    -12.43862618
  O     16.66145061      3.36886894     -9.69724226
  H     13.03686788     10.13006655    -13.74584590
  H     17.94227067      7.42183534    -10.90960839
  O     15.47368674      5.81948202     -9.33191265
  H     13.35438533     11.61710761    -14.02644533
  H     14.83816016     10.13529687    -12.34733754
  O     15.52473718      5.76126246    -13.88954636
  H     12.01650731      6.90513032     -8.33333782
  H     14.37809522      9.06137711    -11.34978008
  O     13.99277702      5.74239763    -11.62718719
  H     11.17455593      8.10830776     -7.83929511
  H     14.36840462      8.23137485    -15.68776014
  O     10.05843017      5.77106979    -10.25595270
  H     12.57994973      5.99526858    -14.97655709
  H     14.61512368      9.65915591    -15.16794258
  O     12.90661705      8.14988203    -10.97120900
  H     14.04892493      6.35723876    -14.71786531
  H     10.87545962      4.32742905     -9.85313591
  O     18.38208820      6.99387859    -11.65187614
  H     15.73979239      2.66275353    -12.69876743
  H     10.87536487      2.94321091     -9.15648075
  O     15.16450872      9.53149641    -11.66958458
  H     15.62906892      2.66686232    -11.16578695
  H     12.22322001      8.51747644    -12.59715501
  O     15.02859376      8.93402635    -15.65293568
  H     17.96134110      3.92261230    -10.99863918
  H     12.41556875      8.02130843    -14.06383882
  O     11.43638365      3.56498691     -9.61267220
  H     18.49605753      5.19374091    -11.71084031
  H     11.86562424      4.10249044    -13.60555633
  O     11.98784768      8.70019045    -13.51979975
  H     16.84315586      2.93709933     -8.86612513
  H     11.05466054      3.90640855    -14.90497674
  O     11.47273720      4.57022527    -14.36172920
  H     16.27855159      4.23570642     -9.48427521
  H     13.46318031      2.95151621    -12.10486986
  O     12.59737015      3.38915451    -12.14453072
  H     14.97086629      5.76960960    -10.16109739
  H     12.17702842      3.31286412    -11.27815629
          69
 Energy    -248.79665479345823     
  O     -3.24908622      4.42898804     -2.29212615
  H     -2.65845316      3.65509776     -2.25006879
  H     -1.55634563      6.19268368      0.21294674
  O      1.58074666      1.67659585      5.79785032
  H     -3.87717495      4.25677766     -2.98893781
  H     -0.82756070     -0.54728499      3.70294157
  O     -0.81452312      3.13952661      0.61556127
  H      1.61616617      1.97138302      6.70438486
  H     -1.57409297      0.67707160      3.10338978
  O      1.28610836      2.87618045     -2.33065526
  H      1.13228296      2.37748366      5.29541705
  H     -1.69760056      7.28964225     -2.13176183
  O      0.58117637     -0.47296910      1.04236543
  H      0.08494375      2.79488694      0.57036166
  H     -2.09635549      5.80854620     -1.95342908
  O      0.36632525      3.53617257      4.17938642
  H     -1.23054307      2.86898160     -0.21151213
  H     -2.28807282     -0.09344353     -0.30818203
  O      1.21179788      5.50799236     -1.22526845
  H      1.89144281      2.50587244     -2.96785860
  H     -0.76609397     -0.32126451     -0.41105968
  O     -4.10623968      4.47885595      0.48269459
  H      1.49771758      2.46894346     -1.47101266
  H     -4.47670418      3.12395961      1.53063752
  O      3.51351386      1.10985975      3.78230437
  H     -0.15069707     -0.39890846      1.67257020
  H     -5.44577542      2.45882172      2.53505303
  O      0.57032824     -0.83718096      4.80609771
  H      1.31284362     -0.86362550      1.53678810
  H     -1.54724700      2.66226812      2.17016158
  O      2.46876909      5.85492124      1.16697356
  H     -0.47649527      3.15376955      3.89798301
  H     -2.87737898      2.47441123      2.92821708
  O     -1.64303878      5.75035528      1.06511346
  H      0.33814838      4.47581390      3.94404886
  H     -0.57036383      2.57017416     -2.27057307
  O     -1.41027349     -0.26822309      2.98252677
  H      1.26630739      4.65514749     -1.67314209
  H     -1.55734504      1.48651385     -1.73001332
  O     -1.45211262      6.48247963     -1.68522045
  H      0.34055736      5.86524587     -1.43161764
  H     -3.92682528      0.70602593      1.36851103
  O     -1.53346609     -0.02952116     -0.91409943
  H     -3.37420778      5.00545952      0.83050047
  H     -2.86043454     -0.32587106      1.77446592
  O     -4.57662282      2.38065832      2.15062592
  H     -3.95667280      4.43099604     -0.46734407
  H      1.76270294      3.35352633      2.96113982
  O     -1.91972101      2.47190995      3.04535774
  H      2.98862217      1.26522494      4.57831349
  H      2.60946776      4.19085049      1.96599657
  O     -1.49107063      2.40826742     -2.03144986
  H      3.36665853      1.88882505      3.23050920
  H      1.31177228      1.03133595      0.44941301
  O     -3.46810025     -0.08361090      1.06144675
  H      1.27538082     -1.10864987      4.20570740
  H      2.08130788      2.31698233      0.91728088
  O      2.50714656      3.30850611      2.34454619
  H      0.87853224     -0.02409741      5.22461722
  H      3.32250593     -1.92467473      2.83742032
  O      1.65829613      1.88856431      0.16090653
  H      2.02035787      5.74687838      0.31013593
  H      3.02188542     -0.43260091      3.11340582
  O      2.62967980     -1.27027226      2.80885366
  H      3.16693751      6.49046129      1.03147223
  H     -0.45523244      6.08028402      2.49348881
  O      0.31598870      6.04449417      3.07516914
  H     -1.27085225      4.86285533      0.93763505
  H      1.07710556      6.10844675      2.48582983
          69
 Energy    -248.79644375387136     
  O     11.52473106     10.87576889    -11.79878440
  H     11.82458169     10.09660483    -11.30327530
  H     13.57400296      5.26153885    -11.61286904
  O     14.05259490      5.79341566    -14.72290603
  H     10.70651339     11.16078277    -11.39931985
  H     13.42342061      8.70555883    -11.26032919
  O     15.73951352     11.87147452    -14.07013005
  H     14.45772701      6.65580362    -14.90258794
  H     13.29108495      9.28701308     -9.84114344
  O     14.49715046     10.54642684     -9.08665029
  H     14.56968109      5.14265991    -15.21203145
  H     19.67847049      3.78500432    -13.05427525
  O     11.87791422      9.74698289    -14.40875410
  H     15.11147504     11.52450197    -14.71561002
  H     18.16109942      4.07707292    -13.13683705
  O     18.29144882     10.97793445    -14.06224997
  H     15.25475208     11.98313164    -13.24206645
  H     13.63116505     10.92567692    -16.72770521
  O     14.27212548     11.65435993    -11.70509114
  H     15.34595686     10.07714280     -9.19863501
  H     13.16123908     10.32239844    -15.38077155
  O     16.14363935      6.96045629    -11.08875296
  H     14.53323461     10.97452202     -8.23620723
  H     12.42453099      6.54346105    -14.19426749
  O     18.12302439      5.60802238    -15.72585797
  H     11.78209431      8.79933955    -14.23038228
  H     11.69154235      6.71590342    -12.85624526
  O     16.51711154      3.47646292    -13.14498532
  H     11.66675402     10.19696150    -13.58442379
  H     14.86297286      9.04156096    -15.51466321
  O     15.90614102      4.04675865    -15.89206687
  H     17.38436648     11.33145813    -14.06497246
  H     16.16963513      8.29158391    -15.05363565
  O     14.38991592      5.01933454    -12.06512207
  H     18.86161758     11.68442556    -14.35393924
  H     11.33355709      5.85369665    -10.38579121
  O     12.81618696      8.76893926    -10.50363273
  H     14.44466349     11.42362959    -10.78311340
  H     12.24616097      7.06283405    -10.68950570
  O     19.04528271      4.46746775    -13.25893622
  H     13.31677153     11.57403597    -11.82063924
  H     16.58020896      8.30781968     -9.81655278
  O     13.94534913     10.61100986    -15.88470450
  H     15.60444805      6.19405689    -11.31707889
  H     17.45352037      9.53828116    -10.10483375
  O     11.73120569      7.05546237    -13.75600342
  H     15.73307915      7.71101831    -11.54624900
  H     18.87976012      6.19569410    -12.58485329
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  H     18.57705342      5.22855809    -14.96232628
  H     17.75297792      6.98302910    -11.87058561
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  H     18.10969771      6.56185611    -15.57977897
  H     14.79261192      9.87789615    -12.33988976
  O     16.76238200      9.20579025     -9.51309591
  H     16.24783007      3.52201418    -14.07138251
  H     14.83445237      8.70373264    -13.36512179
  O     18.58531298      7.08508817    -12.35682766
  H     15.79542216      3.87156594    -12.64008809
  H     18.83603464      8.86514011    -11.70814824
  O     14.74960985      8.91936632    -12.42860759
  H     16.68602737      4.63037954    -15.91667240
  H     18.55004875     10.26457533    -12.27211899
  O     18.66182804      9.77945634    -11.44724185
  H     15.94068178      3.50738157    -16.67716827
  H     18.15721725      7.86153130    -13.93055718
  O     17.93770035      8.28858319    -14.77267517
  H     14.27731061      5.30100179    -12.98623667
  H     18.14080562      9.22509185    -14.65558671
          69
 Energy    -248.79636102013200     
  O     -7.68351359     -1.71294371      6.59182588
  H     -6.79600105     -1.35214789      6.68857554
  H     -8.11218898      0.13439925      3.67803818
  O     -9.82070788     -0.67738775      3.45117507
  H     -8.29654476     -0.96138999      6.59024624
  H     -4.68501711     -0.79212190      5.84041143
  O     -8.64436566     -3.05878387      4.49336214
  H     -9.66966129     -0.76304976      2.49548860
  H     -4.42273621     -0.73528948      7.36514200
  O     -5.53583773      0.45491518      0.07788878
  H     -9.57703198     -1.53073682      3.83284217
  H     -2.06739500      3.14375128      1.38173004
  O     -6.09679373      1.82688046      5.62916005
  H     -8.28095336     -2.64533329      5.29969840
  H     -0.81593208      2.36881016      0.90031590
  O     -4.86016134      5.04478877      0.00527616
  H     -9.04722666     -3.87985408      4.76104805
  H     -8.07929334      4.26165962      3.30177543
  O     -9.47591531      0.34631165      6.19913769
  H     -5.83489729     -0.45700982     -0.01985872
  H     -9.38598320      3.46492794      3.52711625
  O     -4.14748554     -1.21407438      4.24090501
  H     -6.30939378      0.96745538      0.35023110
  H     -9.54784836      2.06269927      1.95570987
  O     -3.96111508      2.61779786     -0.85550179
  H     -6.86618358      2.21856168      6.06162474
  H    -10.37706445      1.21883966      2.92688835
  O     -6.63974663     -2.14061543      0.21757616
  H     -5.76997601      1.08689021      6.15645937
  H     -6.61683993     -1.24611566      3.09822189
  O     -3.71080160      0.69744436      2.20780948
  H     -4.86627545      5.67472951     -0.71034329
  H     -7.15573986     -2.65379688      3.42766869
  O     -7.21108964      0.41616778      3.47211739
  H     -4.57964761      4.19231828     -0.37317259
  H     -8.76506342      0.16509284      0.65036967
  O     -5.07232817     -0.53439956      6.69678941
  H     -9.87578602      0.19644797      5.33754291
  H     -8.37838494     -1.30822655      0.49402430
  O     -1.76487071      2.31428337      0.96935727
  H     -9.24967250      1.28342866      6.24990208
  H     -8.77647131      3.63236773      7.07491948
  O     -8.75277291      4.05628755      3.95969332
  H     -3.88728680     -0.55743906      3.58106430
  H     -8.58684212      3.44627098      5.54881681
  O    -10.24559082      2.12154626      2.62003220
  H     -4.81649031     -1.76150642      3.81151965
  H     -3.48258011      4.10752038      2.73653330
  O     -6.46290622     -2.19162768      2.93965400
  H     -4.50090840      1.83310439     -0.69641165
  H     -3.51293553      4.87890983      1.40520332
  O     -9.09691483     -0.73164444      0.77959874
  H     -3.13437430      2.46809218     -0.38011588
  H     -5.13106655      2.67137153      4.36710177
  O     -8.49215037      3.00695560      6.41435525
  H     -6.51783373     -2.25899248      1.17568173
  H     -4.39771014      2.15235079      3.10495123
  O     -2.91355968      4.51751309      2.06960069
  H     -6.44695220     -2.97895388     -0.19399828
  H     -7.44422558      2.68218922      1.29837007
  O     -4.72088670      2.95389951      3.53920096
  H     -2.93720592      1.12764046      1.82101957
  H     -7.53821250      1.29567810      1.97815477
  O     -7.75406041      1.77619123      1.16037359
  H     -4.33748607      0.55418306      1.48545173
  H     -6.01123661      3.75898994      2.56078456
  O     -6.66776730      4.16560858      1.97434485
  H     -6.85880595      0.89657942      4.23070985
  H     -6.16514068      4.60343067      1.27687229
          69
 Energy    -248.79624285480111     
  O     13.61397752     11.74931932    -15.69911174
  H     14.46356505     12.18763696    -15.57815291
  H     20.99695094      7.98955474    -13.79537045
  O     16.66822450      6.53083650    -14.34876420
  H     13.82681266     10.88610519    -16.07740118
  H     18.26225075     10.81230864    -16.92183813
  O     18.59732791      9.66885722    -11.82253912
  H     17.35141881      6.43222295    -13.67293209
  H     17.03714730     10.47710831    -17.78036782
  O     19.33067518      9.70367388    -15.89093566
  H     16.67007950      7.48035165    -14.55583191
  H     17.59099143      9.33577265    -15.31495590
  O     12.45513130      7.85833481    -14.71973517
  H     18.35043237      9.47267006    -10.90655107
  H     16.67037260      9.84304029    -14.17886577
  O     14.84390647      9.31916139     -9.41868262
  H     17.93265740     10.27442089    -12.17785082
  H     12.62702482     11.09107272    -14.30844505
  O     14.35740025      7.11495468    -12.91206202
  H     19.84485585      9.87652829    -15.09244163
  H     12.10217618      9.67582883    -13.99649239
  O     16.59526116     11.18802165    -12.97335304
  H     19.67509556      8.88381253    -16.26861763
  H     18.14294092      5.30501558     -9.60759020
  O     17.58314183      6.58883499    -17.05804290
  H     11.78676804      7.19061338    -14.85015711
  H     18.03900812      6.23159300    -10.84048749
  O     14.86969989      6.57542684    -10.28866738
  H     13.05981372      7.51898466    -14.03727413
  H     20.03661537      9.84544711    -12.81232701
  O     20.19581754      7.17110540    -16.74938767
  H     14.63747904      9.59312072    -10.32794366
  H     21.41681295     10.47702424    -13.10681151
  O     20.85464025      7.05021763    -13.96767935
  H     14.24446671      9.79266511     -8.84737169
  H     18.52409792      7.82969820    -12.23180303
  O     17.47665491     11.20568271    -17.32787041
  H     14.45767238      6.81332197    -11.99693011
  H     19.44559717      6.78056124    -12.89772885
  O     16.74022833      9.18690187    -14.88242261
  H     15.11944418      6.79367829    -13.41152108
  H     16.72128913      9.07956999     -9.31183282
  O     12.24854804     10.54382294    -13.60328700
  H     15.74693747     10.85938933    -12.63953602
  H     17.69536802      7.89093858     -9.41823776
  O     17.64894416      6.03508259     -9.97165228
  H     16.43596202     11.81133367    -13.69387785
  H     15.43491064      8.86991499    -17.75321648
  O     20.75705317      9.88898798    -13.46499354
  H     17.07660428      7.28529564    -17.49272947
  H     15.81816732      8.69928297    -19.24058012
  O     18.63219264      6.88057433    -12.38178629
  H     17.17063899      6.41626900    -16.20193977
  H     14.45750370      8.90383053    -12.37724226
  O     17.65696051      8.85488683     -9.39444272
  H     15.78096277      6.29009067    -10.14445533
  H     13.58087380     10.17579998    -12.51759982
  O     16.18697558      8.78043684    -18.36406334
  H     14.78924877      7.43105482     -9.84980404
  H     16.69964657     12.18731903    -16.06628791
  O     14.36986788      9.81960241    -12.08114039
  H     19.27738185      6.88026109    -16.89431239
  H     16.51119758     13.61709623    -15.51588018
  O     16.30104678     12.70242917    -15.34334726
  H     20.70900253      6.84104076    -17.48173274
  H     15.16830424      9.15057944    -15.78158110
  O     14.39032707      9.09110105    -16.35787940
  H     20.68584050      6.98184235    -14.91570612
  H     13.70166951      8.62019113    -15.87317219
          69
 Energy    -248.79605281091870     
  O      1.98281823      4.89324627      3.38016883
  H      2.83235177      4.78641996      2.93567985
  H      3.77010032      5.07009094      1.02669427
  O     -0.38614946     -1.11804694     -3.00529097
  H      1.64597375      3.99853753      3.52352155
  H     -0.57339511      5.39220099      0.69746463
  O      1.03408354      2.25828363      3.34470042
  H     -0.50435287     -1.82150123     -3.63867529
  H     -1.14402623      3.96660500      0.79790479
  O     -0.08809336      3.68752564     -4.05797289
  H     -0.06924717     -1.53606775     -2.18550342
  H      1.99785983      6.39656476      0.62848677
  O     -3.40738491      0.88186920      2.76521188
  H      1.02611144      1.36242330      3.69945762
  H      2.28449307      5.66719389     -0.68864629
  O      3.08246666      1.95956903      1.40908656
  H      0.17195362      2.40517355      2.92842070
  H      0.99685291     -0.13650572      0.84337075
  O     -2.30238131      0.50662600     -1.69111096
  H      0.30530234      2.79833129     -3.98992530
  H      2.47273122      0.10161741      1.20806597
  O     -1.65361595     -1.08470904      3.39216648
  H     -0.11135088      3.91131599     -4.98390412
  H     -2.49359614     -2.05428224      0.76947132
  O     -0.18329803      0.94870054      0.05471862
  H     -2.79966847      0.18145498      3.06692559
  H     -2.28220529     -3.55131691      1.09698114
  O      2.00165419      2.14562876     -1.15275207
  H     -4.10994165      0.93394160      3.40767861
  H     -1.50028393      3.43816636     -2.81524771
  O      1.08946479     -0.54602393      3.87245562
  H      3.62602165      2.75505621      1.47624457
  H     -1.86335547      3.78039117     -1.35348901
  O      4.25785265      4.49733372      1.64598262
  H      2.36496898      2.07765504      2.04820550
  H      1.52795001      1.45822152     -2.80404099
  O     -0.95135148      4.67675107      0.16956020
  H     -1.75579724      0.01470076     -2.31531307
  H      0.59531883      0.42261360     -3.46988709
  O      2.71874765      6.07930148      0.07067225
  H     -2.29355763      1.44877426     -1.92187541
  H     -3.25514428     -0.29002223     -0.38165218
  O      1.78192570     -0.57225065      1.21665676
  H     -0.73836251     -0.92144704      3.64751453
  H     -3.65159141     -0.12168346      1.10915834
  O     -1.83022070     -2.71251541      1.04798240
  H     -1.62706673     -1.70842234      2.65545367
  H      0.95215288      5.94412657      2.42892100
  O     -2.09819043      3.20852069     -2.09282865
  H     -0.91376793      0.73101151     -0.53692773
  H      0.20197448      7.28874703      2.28335391
  O      1.03862928      1.26617237     -3.61650756
  H      0.49468756      1.40926000     -0.45966913
  H      1.06671319     -1.87820113     -0.08513987
  O     -3.58095083     -0.76623595      0.39617167
  H      1.78421923      3.07357946     -1.32018988
  H     -0.35107499     -2.47393476     -0.07446358
  O      0.46639929      6.50944092      1.80168041
  H      2.48128651      2.10498707     -0.31583971
  H      0.35779493      4.68816888     -1.09019456
  O      0.39859597     -2.27777870     -0.65289370
  H      1.69431045     -1.04606625      4.41493161
  H      0.73393932      4.50547445     -2.59091993
  O      1.09673698      4.69789002     -1.71784378
  H      1.36994298     -0.66902299      2.94931347
  H     -0.92683425      1.94642949      1.26235618
  O     -1.32379510      2.54054978      1.92085139
  H      5.14120095      4.85042228      1.70762651
  H     -2.11960706      2.10015044      2.24211526
          69
 Energy    -248.79574805205652     
  O     13.63586533      4.13915959    -11.93375998
  H     13.59002209      3.34672887    -11.39096745
  H      8.13912348      2.48981243     -7.47430719
  O     13.24075588      2.23846077     -9.74332457
  H     12.97828686      4.74086126    -11.54806532
  H      7.26100356      6.04049533     -7.65873045
  O      9.95334603      4.01612042    -11.75422220
  H     13.43402042      1.30630821     -9.81222868
  H      6.29362588      4.88282117     -7.94782605
  O     14.54951517      8.53189133    -11.02170378
  H     12.27718508      2.30877464     -9.63139754
  H     12.02102192      6.05765496     -9.91679801
  O     10.52624454      2.53055684     -9.53657555
  H      9.90594627      4.15717995    -12.70746446
  H     11.87840633      6.60561849    -11.37617194
  O     10.36153273      4.65126487     -7.65558280
  H     10.54413177      4.70461057    -11.40565303
  H     11.82485318      5.66535901     -7.81105763
  O     12.55532861      5.50467072    -14.19567199
  H     14.88105610      7.63065683    -10.86337154
  H     13.34237745      5.55014653     -8.12160603
  O      9.99269322      9.25063367    -12.47515411
  H     15.31522212      9.08525295    -11.15234692
  H     12.64066927      7.96807405     -8.49779763
  O      7.66373987      5.39725710    -11.06618942
  H     10.30364285      2.94358698    -10.38454248
  H     13.29350680      8.83555054     -9.58704691
  O      8.33493406      3.69138011     -5.96595668
  H      9.69384082      2.22746583     -9.14404606
  H     14.92962285      5.34936124    -11.24734466
  O      9.92632515      4.91115531    -14.41277921
  H     10.44237434      3.94050151     -8.30513479
  H     15.29459385      5.48813814     -9.77671890
  O      8.08791533      2.11734975     -8.36324915
  H      9.76212361      4.33509504     -6.96821953
  H      6.55363751      4.39464615    -10.12648624
  O      6.66799662      5.40879979     -7.22962398
  H     13.03984146      4.91856402    -13.60170621
  H      5.23808075      3.60241360     -9.95749777
  O     11.74412452      5.83252690    -10.81219312
  H     12.56465495      6.37740949    -13.77586754
  H     13.10418910      8.22849148    -12.16140424
  O     12.59293540      6.15656385     -8.13750306
  H      9.71123757     10.13194100    -12.70396112
  H     11.61684968      8.42726990    -12.64234759
  O     12.59481784      8.83547706     -8.92333617
  H      9.94189998      9.18181325    -11.50219077
  H     14.19105924      3.52415647     -8.82347325
  O     15.35594620      5.94868696    -10.62037925
  H      7.71151779      6.05618407    -11.77388255
  H     15.18330689      3.84290784     -7.68371034
  O      6.06072829      3.81253668     -9.52288813
  H      8.40431497      4.79851444    -11.23696701
  H     10.87171144      9.00244333     -9.45696451
  O     12.37495510      7.82770607    -12.65149823
  H      7.68432429      4.32641797     -6.31759033
  H      9.51256958      8.25054119     -9.38838452
  O     14.66011444      4.24436131     -8.37378578
  H      8.15212780      3.59454639     -5.03589093
  H      8.88612350      6.38904472    -13.67004314
  O      9.97815779      8.97128399     -9.82861088
  H     10.87707664      5.12230605    -14.41444336
  H      8.89231104      7.77792104    -12.98699860
  O      8.34156522      7.00633848    -13.16660474
  H      9.72166534      4.56032209    -15.27527602
  H      8.33354770      6.30126656     -9.59097071
  O      8.68477912      6.67503463     -8.77065389
  H      7.36860597      2.59129292     -8.79897525
  H      9.30667139      6.02642905     -8.41662063
          69
 Energy    -248.79568251152909     
  O     -2.38428522      4.33719532      3.27666964
  H     -2.50476999      3.88439354      2.42293487
  H      0.99187171      7.26519896     -3.04042456
  O      1.08007333     10.77171718      1.27336050
  H     -2.84471149      3.81969436      3.93180545
  H      2.51133556      2.35589071      1.66090596
  O     -1.07683677      8.97494724     -1.38892106
  H      0.23890969     11.05778247      0.89539444
  H      1.36709684      3.39145628      1.75119120
  O      0.46144004      9.74310896      3.71229384
  H      1.33573121      9.98606822      0.77090170
  H     -0.41535867      4.14013759     -3.56916315
  O     -2.19751231      9.78959368      2.62092983
  H     -1.31371546      9.78165802     -0.91583931
  H     -0.45994385      2.77652157     -2.79588310
  O      1.26996940      8.29187718     -0.06741360
  H     -1.69380366      8.28359809     -1.10420253
  H     -1.08105233      1.22922241     -1.39018140
  O     -2.56257753      6.85088925     -0.47628423
  H      0.75743341     10.18754773      2.89704873
  H     -2.36944454      1.76189391     -2.05547276
  O     -2.32733492      6.99733063      2.30337302
  H      0.90898089     10.16833438      4.43834666
  H      0.57349448      5.46075687      2.65391355
  O     -0.66047931      4.88355676     -0.57375023
  H     -2.43570914      8.85486619      2.56504060
  H     -0.45247122      4.37437669      3.01866587
  O     -2.44548211      3.24366841      0.80569785
  H     -1.38541933      9.82039891      3.14200798
  H     -4.85194420      2.41003592     -1.69508685
  O     -0.46077791      1.23228336      0.34757783
  H      0.45088219      8.51317035     -0.53463897
  H     -3.86004654      3.58092729     -1.89062579
  O      0.13306937      7.46655944     -3.42908374
  H      1.84189739      7.84595002     -0.70263325
  H     -1.52234981      5.60993307     -5.35732293
  O      1.84372686      2.79858008      1.14266823
  H     -1.85958468      6.18770899     -0.56770954
  H     -0.86166294      6.22857654     -4.10206678
  O      0.04556489      3.59578898     -2.92033356
  H     -2.68741316      6.95442519      0.47540776
  H      2.14242061      3.73310371     -0.44173757
  O     -1.47509452      1.45708986     -2.24577909
  H     -2.49829083      6.14587157      2.72211744
  H      1.51126486      3.96226053     -1.85158253
  O      0.45526459      4.50343970      2.72303782
  H     -1.36258276      7.08737186      2.27796183
  H     -2.86633616      5.29286925     -3.21751578
  O     -3.97366960      2.70741949     -1.47419408
  H      0.25693706      4.96938041     -0.30620071
  H     -3.36964426      5.83908426     -1.85907359
  O     -1.41024346      5.48784500     -4.41832942
  H     -0.61376782      4.43462738     -1.43054320
  H      0.79065402      7.56636397      1.50125362
  O      2.12618964      4.33104019     -1.19882764
  H     -1.79162187      3.81879031      0.38045635
  H      0.53076308      8.02104770      2.95990560
  O     -3.52848743      5.16063650     -2.52799975
  H     -3.08241939      3.00749796      0.11962861
  H      3.46931783      6.91441259     -2.44574820
  O      0.46691581      7.26551520      2.36258140
  H      0.35974747      1.68013135      0.58275314
  H      2.50169875      5.93347131     -1.74180044
  O      2.60306337      6.85054433     -2.05221092
  H     -1.16800532      1.81029340      0.66094151
  H     -2.15338956     11.91531303      0.25340881
  O     -1.61270734     11.13385649      0.33076963
  H     -0.29494408      8.09939176     -2.83710565
  H     -1.90181757     10.67048378      1.13750821
          69
 Energy    -248.79564840271496     
  O      0.25027715      1.18283900      2.71858346
  H      0.92437351      0.84487266      2.10882372
  H     -2.72624673      3.21264280      0.21996609
  O     -2.37019417     -0.35517540     -3.57792552
  H     -0.59802056      0.82075812      2.41774987
  H      0.20641718      2.82010636      1.71450192
  O     -0.20851676     -0.52826325      4.95077892
  H     -2.27758426     -0.05488515     -4.47857381
  H     -0.72984032      3.79926460      0.96232672
  O     -4.22324831     -0.54446346     -1.43649774
  H     -1.68017285      0.09280041     -3.06052119
  H     -3.40738593      0.92725575     -0.75268764
  O     -1.45434734     -2.86268688     -2.43188647
  H      0.20795226     -0.07170955      4.20804954
  H     -1.93248937      1.36980955     -0.87130910
  O      0.33558976     -1.65342943     -0.68949119
  H     -0.79112540      0.13414445      5.33398343
  H     -2.79395837      0.14973870      2.59491772
  O     -3.51693972      3.47049698      3.24616436
  H     -3.77374800     -0.48301256     -2.28803421
  H     -2.47122622      0.64805545      1.14012669
  O     -3.82613565     -2.57132132      3.91771025
  H     -3.88703166     -1.35041840     -1.01513963
  H     -2.52131220     -2.79444817      0.37341779
  O     -0.52168940      0.73469026     -1.82041354
  H     -2.13945821     -3.04807097     -1.77612458
  H     -4.03916816     -3.04670222      0.36501173
  O     -5.73285871      1.69077600      2.79890633
  H     -1.79961137     -2.14180985     -2.97080101
  H      1.53770890     -0.48332118      0.23238454
  O     -3.79528542      0.18799020      4.16485600
  H     -0.10485097     -2.16415781     -1.38384807
  H      1.95688045      0.98806066      0.07825689
  O     -2.57659488      4.07741871      0.63925653
  H     -0.06908974     -1.95083805      0.13831346
  H     -2.33542034      2.62846341      4.31511353
  O      0.18439573      3.49968969      1.02937854
  H     -3.19560098      3.77889543      2.39036385
  H     -0.97433174      1.92066537      4.18773330
  O     -2.76681319      1.57117814     -0.42292739
  H     -4.31557120      2.96258428      3.05821869
  H      2.18071348      3.09546268     -1.41530530
  O     -2.14785498      0.11994833      1.87888594
  H     -2.91467893     -2.84100956      4.07487557
  H      1.06241188      2.94016779     -0.35449154
  O     -3.28579301     -2.87781114     -0.21447351
  H     -3.86130560     -1.62535237      4.12086581
  H     -0.71454066     -2.17056610      4.54993817
  O      1.90148558      0.26840189      0.71777086
  H      0.18858002      1.37918521     -1.71070632
  H     -0.54808810     -3.69205255      4.76264738
  O     -1.75083782      1.98850814      4.75384481
  H     -0.22659390     -0.08519960     -1.39601686
  H     -1.02444416     -2.75849995      2.38809239
  O      1.51053417      2.49678183     -1.09807518
  H     -6.63495831      1.91030243      3.01799563
  H     -1.52533832     -1.49682384      1.64584798
  O     -1.01592238     -3.04348115      4.24322420
  H     -5.77376478      1.03097148      2.08400400
  H     -6.00226572     -3.62065444      1.91318732
  O     -1.15170439     -2.38276375      1.51055664
  H     -4.53900671      0.70898120      3.83611770
  H     -4.79323168     -2.87274042      2.52433944
  O     -5.33425405     -2.96859946      1.71935318
  H     -3.13261320      0.80502094      4.50634663
  H     -5.70545047     -1.17457195      1.24064446
  O     -5.77981154     -0.26589122      0.92199724
  H     -2.94777554      4.73603676      0.05731551
  H     -5.41962886     -0.27609414      0.02759144
          69
 Energy    -248.79539283418072     
  O      1.13353768      0.32655998      5.18885274
  H      1.65894983      0.58405235      5.94271720
  H     -3.16803279      1.51911026      0.06037919
  O      2.25229458     -0.65562603     -2.59397097
  H      0.52914890      1.06850842      5.00746498
  H     -2.43231163     -0.76134957      5.40144804
  O     -0.95102511     -1.57354635      5.86884586
  H      2.47327666     -1.53088750     -2.25105284
  H     -3.19396592      0.59972603      5.21018538
  O     -0.21053290     -0.35196112     -1.20000924
  H      1.32896980     -0.50906715     -2.34975317
  H     -0.09572062      2.12610288      1.32215821
  O      2.83163227     -3.03550943     -1.08634637
  H     -0.96584599     -2.38824961      5.35048953
  H     -1.59840824      2.57800723      1.26799984
  O      3.88988149     -1.24269777      0.66882957
  H     -0.18010551     -1.06306692      5.59431215
  H     -2.48872650     -0.31292829      0.81500760
  O     -4.59899681      1.91334340      2.80168564
  H     -0.11240559     -1.28041374     -0.93719448
  H     -1.91956829     -0.19829641     -0.62346453
  O     -3.45521027     -3.25112864      2.62100026
  H      0.28487558      0.17876627     -0.56039715
  H     -2.20748510     -0.24545172      3.31278026
  O     -0.56048117      2.36549368      4.60606804
  H      3.45021782     -3.74016101     -1.25938941
  H     -1.38486702      0.69729743      2.38972172
  O      3.58771562      1.09183823     -0.99473796
  H      3.24256241     -2.45851860     -0.41790746
  H      0.12157114     -2.83218079      0.60965077
  O     -5.13075694     -0.92706029      3.18248226
  H      3.37966730     -1.03689924      1.46337065
  H      1.01742742     -3.14105472     -0.62331958
  O     -3.26326563      2.45003173      0.32716877
  H      3.95188881     -0.41736685      0.17259877
  H      1.41383787     -1.26545593      2.54752246
  O     -3.17392940     -0.32958485      4.95226569
  H     -4.84927868      0.98280836      2.75354507
  H      1.85747221     -0.19078837      3.55802075
  O     -0.85084418      2.41542603      1.85474933
  H     -4.21185077      2.14262005      1.94881709
  H     -3.81325540      2.35743285      4.30625701
  O     -2.74304178     -0.18661564     -0.11202489
  H     -3.23535669     -3.28679523      1.67796086
  H     -3.87316353      3.06399902      5.68198000
  O     -1.71020375     -0.20650991      2.48775864
  H     -4.07262210     -2.52083774      2.72546941
  H      2.08282951      1.32952728      0.08517163
  O      0.10734922     -2.97468215     -0.34945059
  H     -0.58142962      2.54552780      3.65559355
  H      1.55223286      0.62419295      1.36030922
  O      2.03951002     -0.53642043      2.67581970
  H     -1.47133821      2.47030018      4.90417139
  H     -2.14951787     -3.66821570      3.67004665
  O     -3.35187446      2.46177185      5.15821422
  H      4.18628687      1.66568744     -1.46437601
  H     -1.41002010     -4.77601705      4.45874036
  O      1.29153934      1.19204563      0.62020717
  H      3.16649391      0.51641426     -1.65865584
  H     -0.61089113     -1.60301938      2.34827368
  O     -1.34766250     -3.86360391      4.19078403
  H     -4.50312550     -0.78401710      3.91418491
  H     -0.31338035     -2.99533415      2.95215955
  O      0.01804826     -2.34172132      2.32501908
  H     -5.96464809     -1.16722051      3.58115553
  H     -1.81870852     -3.20299737     -0.28017671
  O     -2.74907188     -3.07585051     -0.05687874
  H     -3.60053987      2.92190393     -0.42979412
  H     -2.93390645     -2.14662707     -0.23803811
          69
 Ord_Energy   -248.795303    
 O  -0.129681826       8.60958195       1.36637950    
 H   0.238584355       9.46635818       1.16642416    
 H   0.486819148       8.17465401       1.98422861    
 O   -2.47345877       8.00244141       2.74881268    
 H   -1.74616790       8.34127903       2.21348953    
 H   -3.25664735       7.88557434       2.18929243    
 O    1.58861923       7.23102140       2.94494247    
 H    1.31530643       6.70019245       3.70460463    
 H    2.06817961       6.64313078       2.34899116    
 O   -3.49042010       7.38212538       5.26497316    
 H   -3.06825137       7.75051355       4.47608566    
 H   -4.39652681       7.19266319       4.99668503    
 O   0.372222841      0.583204329       1.19968045    
 H   0.292670190      0.361576766       2.13652587    
 H   0.865011811       1.41416395       1.16837168    
 O   -4.28525591       4.57854986      0.702285886    
 H   -3.33434892       4.61355639      0.545357347    
 H   -4.57949734       3.73505998      0.334257573    
 O   0.876207888       2.95121455       4.10162640    
 H    1.06573904       3.05387759       3.15916753    
 H   0.547551811       2.05212212       4.20317793    
 O   -1.41073787       4.23719168      0.533541441    
 H   -1.41866446       4.64578867       1.41757405    
 H   -1.67246759       3.31027484      0.630318642    
 O   -4.68762875       1.88028741      -4.91766706E-02
 H   -3.76783466       1.68644178      0.202013388    
 H   -4.86425066       1.39062345     -0.848486543    
 O   -6.01984167       6.69963694       4.04608488    
 H   -5.83882856       5.76391792       3.85455608    
 H   -6.93341017       6.75338936       4.31544495    
 O   0.283243209       6.37019300     -0.374701113    
 H  -0.392717361       5.69554043     -0.238457829    
 H    5.48045011E-03   7.15066528      0.122169249    
 O   -4.80182314       7.30584669       1.48790729    
 H   -5.32664251       7.19804382       2.29141831    
 H   -4.73996782       6.43057394       1.08654332    
 O    2.63929033       5.64086294      0.782392621    
 H    3.40014410       5.83703518      0.242196411    
 H    1.85347414       5.92281437      0.279220015    
 O   -1.50973058       5.43292999       2.92460632    
 H  -0.742428064       5.48532152       3.51040649    
 H   -1.89671135       6.31740379       2.87459803    
 O    1.23373890       3.28696132       1.31762707    
 H    1.87106872       3.99426866       1.15709162    
 H   0.391541183       3.61198878      0.978623509    
 O   -5.38176966       1.39692652       2.72829986    
 H   -5.53231144       2.30696797       3.01662159    
 H   -5.32855606       1.44099772       1.76647556    
 O   -2.15423298       1.59288561      0.964588583    
 H   -2.39598608       1.52666569       1.89865112    
 H   -1.30061996       1.14474642      0.875965118    
 O   -2.79606748       1.27579856       3.67913079    
 H   -3.72471380       1.14068770       3.44189811    
 H   -2.74669981       2.12583208       4.14013433    
 O   -5.20174646       4.18086433       3.34645820    
 H   -4.43173647       4.05584049       3.92011023    
 H   -4.86645412       4.33623981       2.45174527    
 O   -2.81851864       3.82624817       4.72510910    
 H   -2.56958389       4.27387428       5.54106188    
 H   -2.37877083       4.33024740       4.02274227    
 O   0.449941903       5.52305174       4.87148714    
 H   0.652667344       4.58162880       4.73963881    
 H  -0.215375751       5.59256077       5.56586838    
 O   -1.84852779       5.68597269       6.60413027    
 H   -1.87947881       5.87456560       7.53803158    
 H   -2.43275809       6.33373594       6.16838646    
 O  -0.245375872      0.300637156       4.00206852    
 H   -1.18304741      0.547819555       3.93809414    
 H  -0.199387982     -0.446155369       4.59387779    
          69
 Energy    -248.79498961324478     
  O     11.91731375      9.25464032    -15.64281590
  H     11.98492275     10.14921181    -15.28765971
  H     20.03698016      9.06381727    -11.73373907
  O     17.37863570      7.57346210    -13.41256870
  H     11.74330851      8.65862045    -14.90339867
  H     14.79456101     11.75074891    -17.11177395
  O     15.90553207     11.76251421    -11.03318490
  H     17.99800139      8.03202062    -12.83051870
  H     15.51343340     12.22684319    -15.85474992
  O     17.11582921     11.42388525    -15.19332676
  H     16.71720720      7.13561539    -12.85823678
  H     16.13322304      8.72528899    -14.04351460
  O     15.23993362      5.96389979    -16.63084699
  H     15.84817657     11.29556231    -10.19125725
  H     15.06995279      8.99042002    -15.16306033
  O     14.04661176      8.17263311     -8.88852491
  H     15.13345426     11.49033366    -11.54566795
  H     10.84912532      6.68694988    -13.57781988
  O     15.28167839      6.53628360    -11.94262345
  H     16.52922427     10.73463005    -14.84167210
  H     12.36471728      6.65072665    -13.88565620
  O     13.85041430     10.73287366    -12.66818981
  H     17.57634903     11.00384907    -15.92740830
  H     18.18267239      8.57936896    -10.16956803
  O     17.97260745      9.76206476    -17.40258880
  H     14.82625770      6.83913052    -16.74397326
  H     17.14927746      9.05853452     -9.11903754
  O     16.06756506      6.15082423     -9.29724062
  H     14.96198341      5.42924821    -17.37049167
  H     14.33693425      5.69174164    -14.95975045
  O     17.67570988      7.37432759    -16.16820280
  H     14.61510478      7.39397747     -8.92458871
  H     14.38280122      5.82855908    -13.41629645
  O     19.08429402      9.03696325    -11.75014303
  H     13.60339996      8.22024644     -9.74722313
  H     17.39613361     11.62383953    -11.99813843
  O     14.66785024     12.28334960    -16.31899563
  H     14.59616127      7.20751212    -11.81325661
  H     17.90644978     11.56985238    -13.46267498
  O     15.47955952      9.35716799    -14.37073191
  H     15.55664547      6.25449355    -11.06129437
  H     15.66786697     10.67289411     -7.75965306
  O     11.62555478      7.23732238    -13.64143401
  H     14.45161903     10.23502615    -13.24594172
  H     15.09688441      9.56416879     -8.67290519
  O     17.68721614      8.30329368     -9.38942748
  H     13.28388498     11.24338285    -13.25731502
  H     16.36233378     10.21788918    -18.10238593
  O     13.78918659      5.69248041    -14.16730235
  H     17.87518497      8.89814187    -16.96165220
  H     15.48919650     10.55719077    -19.33294972
  O     18.16735196     11.41420316    -12.54844899
  H     18.85322897      9.78210323    -17.76782928
  H     13.35031005      9.22476740    -11.84233048
  O     15.77576774     10.25895903     -8.61208933
  H     16.71271560      6.88263050     -9.30818743
  H     12.51850195      7.96036034    -12.16460244
  O     15.45675086     10.42076267    -18.38919567
  H     16.41832279      5.48080273     -8.71786427
  H     11.89489279     12.71684294    -14.83936645
  O     13.15164304      8.32784840    -11.53652932
  H     17.71101061      7.38390193    -15.20124792
  H     13.22064976     12.10148282    -15.34236024
  O     12.44098678     11.93733970    -14.78231038
  H     16.94229530      6.78871237    -16.39030160
  H     14.55678488      9.13389391    -17.39289059
  O     14.23746488      8.46984983    -16.77182154
  H     18.78238040      9.92258692    -12.02653466
  H     13.36027196      8.73869451    -16.45538344
          69
 Energy    -248.79497637797368     
  O     13.82190555      4.80599538     -9.83341945
  H     14.15672736      5.50290913     -9.25784887
  H     12.55236602      9.48092960    -13.67225301
  O     14.24525555      8.70553275    -16.22986420
  H     14.58013620      4.51403692    -10.35404748
  H     16.96383113     10.04020064    -11.19681420
  O     17.65539052      8.84382281    -14.05916243
  H     14.12347844      9.35161124    -16.92214359
  H     17.40208742      9.02109966    -12.28627381
  O     16.36210929     11.81592930    -11.37509035
  H     13.88545234      9.10696757    -15.42610722
  H     14.06958278      8.22376666    -11.17960172
  O     11.16153778      8.45509302    -13.24614489
  H     17.10213883      8.17484005    -14.48703751
  H     15.51320845      8.41518374    -11.71768624
  O     18.41839230      3.64837477    -12.86617183
  H     18.54638845      8.47330732    -14.01275185
  H     12.22096939      5.17256295    -10.58382789
  O     11.87797212      5.72223234    -13.80512035
  H     16.27046558     11.69095303    -12.33781990
  H     11.50969912      5.41406549    -11.94401026
  O     17.21360457      6.70404979     -9.99676671
  H     16.79449726     12.65532398    -11.24357945
  H     20.96635182      7.59406189    -13.77391638
  O     13.60869965     11.13476690    -11.04061200
  H     11.33902142      7.54400231    -13.51351045
  H     19.88741218      6.94028221    -12.87804750
  O     18.44644698      5.36463668    -14.97009617
  H     10.90382783      8.40704534    -12.31793368
  H     14.53519531      6.58169728    -12.81654917
  O     16.00287653     11.15476597    -13.97617171
  H     18.39683860      4.19590680    -13.67161317
  H     15.08327526      5.14823726    -12.72968864
  O     13.46295818      9.80902878    -13.73904744
  H     18.79612602      2.80863433    -13.11261745
  H     15.48665224      7.46469455    -15.76711185
  O     17.14977120      9.10675073    -11.35455160
  H     11.65355181      5.19034572    -14.56448729
  H     15.56925215      6.40453736    -14.64114796
  O     14.63635561      8.08377734    -11.94861036
  H     12.84180552      5.66015313    -13.69674167
  H     19.22860514      5.07053503    -11.86209673
  O     11.39639644      5.47981252    -10.98917802
  H     17.28241504      7.57231205    -10.42092290
  H     18.83675537      6.16584593    -10.84977984
  O     20.03107482      7.41961893    -13.71389340
  H     16.50783502      6.78904411     -9.34414073
  H      9.77815139      8.00976212    -10.03852169
  O     14.56625173      5.73657851    -13.29402802
  H     13.39911369     10.91496493    -11.95418770
  H     10.85949505      7.04328641    -10.58721192
  O     16.09914795      6.88668659    -15.29168283
  H     14.52103991     11.45138555    -11.05159546
  H     16.53857439      5.25519633    -10.95821618
  O     19.50410310      5.92381908    -11.50355849
  H     17.63758389      5.82601714    -15.22908131
  H     16.90171612      4.06483058    -11.88094302
  O     10.64176292      7.98357746    -10.44066709
  H     19.06607603      6.05147614    -14.69579034
  H     14.29362344      7.71656390     -8.75922855
  O     16.16808817      4.48867792    -11.41919358
  H     16.60506427     10.42044855    -14.15932291
  H     14.81608481      7.14493122     -7.42349581
  O     14.89872243      7.06284507     -8.37078674
  H     15.10790075     10.80293020    -14.05294940
  H     12.27210958      8.53561254     -9.85035524
  O     13.18788491      8.78849535     -9.67101066
  H     13.97242470      9.22390682    -13.15660865
  H     13.31252537      9.68617952    -10.01490375
          69
 Energy    -248.79474873874705     
  O     16.29957777     11.58796657    -11.75121268
  H     17.02697328     11.06652896    -11.39357449
  H     14.13252280      4.06284634    -15.95984551
  O     13.17918557      7.30804341    -14.91968583
  H     16.29181235     11.40298132    -12.70162135
  H     18.83818913      8.79432311    -14.07924846
  O     16.59441789      5.34241376    -11.27885575
  H     13.96917171      7.65141248    -14.46989755
  H     18.89240097      7.48191320    -13.24833508
  O     13.83724171     11.41296227    -15.65999515
  H     13.33878311      6.36892974    -15.06650188
  H     15.73263266      9.08631334    -13.98193535
  O     13.13454000      6.59765785     -8.81350940
  H     16.14066565      4.87684908    -10.56338669
  H     15.68763861      8.09612926    -12.78890809
  O     11.90864257      8.19183803    -12.62143641
  H     16.42970455      6.28673087    -11.12960504
  H     13.60699115     12.40855226    -10.35422299
  O     16.05180918      7.98777169    -11.01092476
  H     13.42968015     12.18242738    -16.04818510
  H     14.70569149     11.63596620    -11.12641977
  O     16.80971304      8.00241030    -17.11828130
  H     13.33851923     11.21259806    -14.84696136
  H     14.90461005      4.89373378    -12.16376895
  O     11.77698083      5.82973742    -11.24870750
  H     12.73188007      6.82318564     -7.97793225
  H     14.01511976      4.47098756    -13.34983840
  O     16.56750676      6.03132611    -15.09360788
  H     13.27043752      7.43342106     -9.28785870
  H     12.19819173      9.98812630    -13.11606697
  O     14.19332904      8.91585252    -17.01495425
  H     11.67252754      7.38396876    -12.14113463
  H     12.93625205     11.19181167    -12.50126777
  O     14.19818211      4.65815160    -15.21774062
  H     12.23921133      7.89028727    -13.47918082
  H     19.24330332      4.93790040    -13.03037310
  O     19.00953084      8.43749390    -13.19943937
  H     16.75227244      8.63269827    -10.85391666
  H     17.88790432      5.41820015    -12.46110472
  O     15.50291950      8.18289000    -13.73166503
  H     15.20587033      8.35222875    -10.71920356
  H     14.22646329      5.04953517     -9.20614148
  O     13.78110548     11.59530643    -10.81961638
  H     15.89911863      8.32933509    -17.18104181
  H     14.22839433      4.05221349    -10.36979437
  O     14.02417966      4.56967940    -12.39077298
  H     16.77202763      7.18974538    -16.60020448
  H     17.87663023      9.05885079    -16.29698583
  O     12.57164908     10.85351605    -13.32705186
  H     12.08083883      5.96802607    -10.34497898
  H     19.10054370     10.00678411    -16.31254844
  O     18.54302649      5.57122583    -13.16509309
  H     12.50139188      5.37107006    -11.69858271
  H     12.97691075      8.60633963    -11.19208615
  O     14.70065101      4.28674357     -9.56234809
  H     17.31979483      5.74420998    -14.56328483
  H     13.55346852      9.81804018    -10.41389832
  O     18.42061239      9.65175839    -15.74654063
  H     16.22100359      6.82287829    -14.65045406
  H     19.00446343      9.77375920    -10.34852769
  O     13.49653091      8.85412984    -10.41258566
  H     13.70457446      8.32670634    -16.42581534
  H     18.57349444      9.28862235    -11.75403795
  O     18.25512536      9.70873467    -10.93395845
  H     14.03313251      9.80261138    -16.67175658
  H     15.51260907     11.08107843    -14.96119591
  O     16.24897744     10.80011086    -14.40212974
  H     15.08245888      5.06181271    -15.25451489
  H     16.99801009     10.54914731    -14.95714533
          69
 Energy    -248.79451937458066     
  O     14.35152329      2.97723998    -12.85671372
  H     14.58690260      2.06583768    -13.01022131
  H     14.65633760     10.75623266    -13.71489886
  O     15.86346728     10.74426433    -15.02083871
  H     15.17691937      3.48969566    -12.88594528
  H     15.32223846      8.70264170     -9.12746745
  O     17.79751672      9.34941907    -11.09392110
  H     16.57501458     10.17471649    -14.68717884
  H     15.32149690      7.99696513    -10.49781722
  O     14.28441446     10.21921637     -8.69102214
  H     16.27793217     11.36531545    -15.61445542
  H     15.01471332      7.59368736    -12.78362262
  O     12.02965700      9.07418259    -14.07462315
  H     17.16643720      8.86418405    -10.54331364
  H     14.35622739      8.91673490    -12.31523244
  O     19.31020318      4.66736559    -13.14380954
  H     18.66816361      8.98356889    -10.89562154
  H     12.35761446      5.40578303    -12.91813971
  O     13.33073761      6.87560449    -15.43382908
  H     13.53357225     10.23938314     -9.31081139
  H     13.07632939      4.18755119    -13.53325389
  O     16.36714537      5.37437447    -10.09683694
  H     13.97785111     10.61099534     -7.87774301
  H     19.83781850      7.05368953    -10.46648482
  O     12.36095277     10.34829017    -10.62313942
  H     12.70008164      9.72023843    -13.82364851
  H     20.94764932      8.06857824    -10.09947999
  O     19.90786710      7.29341851    -13.43952534
  H     12.48890026      8.37907472    -14.56136534
  H     16.04158733      6.02602048    -13.82671242
  O     15.81019266     11.36205724    -10.86378556
  H     19.97437741      4.13575610    -13.57371753
  H     15.04281149      6.83396086    -14.74351871
  O     14.13656724     10.67715218    -12.90122955
  H     19.53393358      5.59796188    -13.32678593
  H     17.04828633      8.20144087    -14.03988566
  O     15.79700599      8.04718215     -9.65157267
  H     13.05623144      6.70311349    -16.33065300
  H     17.64372811      9.11622142    -12.91827212
  O     14.53381080      8.00474579    -12.05459332
  H     12.98860946      6.14579569    -14.88454482
  H     18.23066843      5.34326992    -10.13711562
  O     12.52449878      4.94742464    -13.75343965
  H     16.21867551      6.28749181     -9.81590354
  H     19.27875027      5.03575791    -11.22679315
  O     20.19041628      7.94030649    -10.66405924
  H     15.51540153      4.91977389    -10.01505969
  H      9.61926336      8.61474911    -12.01632209
  O     15.85040604      6.88996938    -14.21619216
  H     11.67678399      9.73125951    -10.90900050
  H     11.00612704      8.69095253    -12.69926268
  O     17.64239756      8.94946989    -13.87218085
  H     12.80352122     10.63843293    -11.42912475
  H     17.49827007      4.54752232    -12.97503639
  O     19.16592825      5.44448764    -10.36061024
  H     19.22009015      7.89914779    -13.74361590
  H     16.48619707      4.92880802    -11.85594365
  O     10.55322992      8.51225205    -11.85497531
  H     20.14409153      7.58953779    -12.55138193
  H     13.90556135      3.68697856    -11.06974529
  O     16.55654916      4.62398621    -12.77342436
  H     15.39568424     11.09999675    -10.03291359
  H     13.25530948      4.96943767    -10.52183351
  O     13.86707469      4.25646271    -10.29298089
  H     16.60936539     10.82504994    -10.94625287
  H     11.60807670      7.00725855    -11.39057011
  O     12.36466054      6.41052157    -11.36437722
  H     14.70737752     11.02068627    -12.19425720
  H     13.13257229      6.96133133    -11.57887212
          69
 Energy    -248.79405902472297     
  O     14.43215369      9.93460799    -15.82898601
  H     13.74032132      9.44773628    -15.36522212
  H     19.38283046      5.57924043    -15.74074210
  O     14.05347225      3.96344906    -16.18416786
  H     14.52103688      9.52214657    -16.69615043
  H     18.94771605      7.39614034    -16.71162165
  O     17.96994826      6.56213790    -11.92101854
  H     14.11621514      3.93453439    -15.22157967
  H     17.45840352      7.70631868    -16.41933592
  O     16.45622662      6.69240217    -18.76198642
  H     13.72801598      4.85353486    -16.38480769
  H     16.71908125      6.04047386    -15.42339206
  O     14.06794168      5.69371911    -10.06670927
  H     17.29305280      7.18868049    -12.21776814
  H     15.33134473      6.68840752    -15.75627827
  O     14.35896009      4.33719372    -13.39043312
  H     18.79965103      6.86942008    -12.30789855
  H     11.56962910      8.53213661    -14.24312742
  O     16.09559199      8.23051951    -13.02507617
  H     16.42009519      5.77158455    -18.48120284
  H     12.83227324      7.81750350    -13.70922286
  O     17.84219621      4.59642715    -15.59991943
  H     17.20566752      7.09777271    -18.30312244
  H     16.69938149      3.72142010    -10.10331428
  O     13.71916340      3.02004778    -11.04549966
  H     15.00101348      5.70836573     -9.81972428
  H     15.59091905      2.79190257    -10.62968782
  O     18.88671116      9.62315267    -14.78226828
  H     13.85670716      4.76710795    -10.23621942
  H     13.05454863      7.15867454    -15.81857513
  O     16.23056626      3.92852337    -17.78089996
  H     14.11178362      5.24509707    -13.17167701
  H     13.73897748      7.24752905    -17.20981671
  O     20.05437323      6.27191454    -15.82806951
  H     15.32122605      4.27687505    -13.29846692
  H     20.98037223      8.02298613    -13.04147370
  O     18.20741201      7.96575331    -16.97586785
  H     16.15675627      7.75974804    -13.87422229
  H     19.68623754      8.42989765    -13.78136329
  O     16.18926248      6.84559643    -15.34600559
  H     16.19582291      9.16751011    -13.22509457
  H     17.46427707      4.94188624    -12.68340313
  O     12.45965825      8.28247317    -14.47811781
  H     17.59830548      4.18706090    -14.75829630
  H     17.01588520      3.53025071    -12.22330659
  O     16.54949975      2.90079993    -10.59034630
  H     17.35126567      4.18617049    -16.32274916
  H     17.34293044      5.95026635    -10.34630094
  O     13.54397990      6.64929950    -16.47657694
  H     13.85815140      3.39709763    -11.93069398
  H     17.38404840      5.87329688     -8.80492330
  O     20.11570771      7.70593323    -13.29032630
  H     13.01734875      2.37953001    -11.12663208
  H     15.20178364      7.87320540    -18.55472911
  O     17.10733948      4.10081898    -12.99966664
  H     18.08387242     10.10908547    -14.56248854
  H     14.19284240      8.87037158    -19.16750353
  O     16.89915504      5.57210269     -9.56962615
  H     18.72294598      9.21570274    -15.64320343
  H     14.56152224      7.45628560    -12.58432269
  O     14.47629702      8.48772909    -18.34156879
  H     16.21395672      3.19579468    -18.39100390
  H     13.74618929      6.59627113    -11.57383170
  O     13.73796892      6.95815061    -12.47185247
  H     15.41831511      3.86870261    -17.24612737
  H     15.69340930     10.53772096    -14.79000966
  O     16.36147443     10.79181601    -14.12800124
  H     20.17151503      6.64082140    -14.94557705
  H     16.19456400     11.70366492    -13.90581015
          69
 Energy    -248.79400235131527     
  O     10.96591567     10.69092574    -11.76208291
  H     10.45261051     10.26888582    -12.46301583
  H     16.02200342      6.39633434    -17.02661868
  O     13.62906079      7.32276704    -15.26666481
  H     11.73454947     11.08315136    -12.19458481
  H     17.87310850      7.60270934    -16.61007499
  O     17.56033967      8.79350793    -11.29080507
  H     14.32264487      7.93583010    -14.96900627
  H     17.70693190      6.70528219    -15.36299597
  O     18.09230542      9.39206171    -17.19185249
  H     13.99049867      6.87361963    -16.03954118
  H     14.58544008     12.17702490    -15.80885518
  O     12.08578559      9.62740280    -15.16787782
  H     16.74897016      9.30684707    -11.42583925
  H     14.94649532     13.62112103    -15.37678560
  O     16.27141434      6.67991711    -10.04203258
  H     17.29341903      8.05921718    -10.71972758
  H     15.35122042      9.24778167    -13.41914661
  O     13.29727886      6.18778320    -12.75372514
  H     17.86330611     10.02021341    -16.48594604
  H     16.09730136      9.62741101    -14.72490956
  O     15.04497315      9.90111807    -11.77801599
  H     18.82973928      9.76858470    -17.66546898
  H     10.65376124      8.91263887     -9.14158917
  O     15.36030623      9.15653801    -18.06273529
  H     12.52779572      8.77211150    -15.26319856
  H     11.09114199      9.47282598    -10.51747041
  O     15.83794537      4.98593741    -12.38423626
  H     11.21101442      9.45133691    -14.80099333
  H     11.47404613      6.59413546    -12.40055021
  O     17.26123071     10.99817977    -15.14814286
  H     16.18265500      5.96294484    -10.67971356
  H     10.73920755      7.45442232    -11.34865786
  O     15.12853736      6.33898414    -17.40993904
  H     15.39146657      7.07955893    -10.00104236
  H     18.44393273     10.05810346    -12.24774444
  O     17.59853099      6.72218144    -16.32143463
  H     14.08405938      5.64509959    -12.61868499
  H     19.37546121     11.27411171    -12.33403845
  O     15.02758137     12.70735653    -15.11717668
  H     13.35703483      6.53794397    -13.65427729
  H     17.66255339      7.50557962    -12.74309584
  O     15.56930535      8.93652897    -14.30898103
  H     14.54650136      9.23164538    -11.28669913
  H     16.68825881      7.60293860    -13.90652859
  O     11.14820022      8.69921016     -9.92789439
  H     14.40684351     10.50705533    -12.17746114
  H     14.31067058     10.45089509    -17.35264253
  O     10.63078038      7.02210596    -12.20515554
  H     16.30288503      9.26263577    -17.88812826
  H     13.08771555     10.63033688    -16.41829515
  O     18.74151668     10.76857829    -12.83711299
  H     15.18003940      8.21823492    -17.93779568
  H     13.55040812      7.27218404    -11.30333805
  O     17.34493124      7.01072421    -13.50764507
  H     16.40087588      5.63705760    -12.83551126
  H     12.87194839      8.11244852    -10.18540303
  O     13.79207274     11.11104909    -16.87025554
  H     16.21156528      4.12734344    -12.56733745
  H     13.84062830     11.95089285    -13.80638316
  O     13.72717499      7.83099693    -10.53242667
  H     17.78681820     10.99514097    -14.33364325
  H     12.88549563     10.74472246    -13.94111490
  O     13.25912210     11.37049551    -13.30190880
  H     16.58915688     11.68868522    -15.08937427
  H     10.01257939      8.26738546    -13.26284727
  O      9.73251915      9.05176294    -13.76832071
  H     15.15090408      5.63919023    -18.05691786
  H      8.82270263      8.91163639    -14.01560158
          69
 Energy    -248.79375792805962     
  O     15.19682040     10.69643226    -15.26179510
  H     15.52543701     10.59893134    -16.16125026
  H     17.82124373      9.63304302    -16.89623055
  O     17.40054262      5.84070316    -11.99639709
  H     14.41483142     10.12784202    -15.18600526
  H     17.27210872      7.85989930    -15.73059986
  O     19.87981179      7.07339412    -17.74419895
  H     18.27601142      6.10698543    -12.30967298
  H     16.46297782      7.50767646    -14.43897192
  O     17.59524232      5.57957480    -18.64901413
  H     16.83803154      6.61541547    -12.14614823
  H     13.36334365      8.20769607    -15.66943585
  O     13.02916455      5.62247063    -10.46034579
  H     19.18634665      6.61168168    -18.23017478
  H     12.99919920      8.44443941    -14.20260922
  O     13.75959131      4.87967692    -14.42726687
  H     19.45389123      7.85130556    -17.35453881
  H     15.55584971      1.38524802    -11.96186998
  O     15.92583059      8.01034991    -12.76022713
  H     17.49545281      4.84631056    -19.25194643
  H     15.64864763      2.76614919    -12.65037745
  O     17.82526579      4.81232163    -15.97603710
  H     17.60801413      5.20221316    -17.75460302
  H     13.88471648      5.98682675    -15.94994489
  O     12.61660307      3.46076088    -12.35430278
  H     13.93991783      5.30066392    -10.33503105
  H     15.07742018      6.94000937    -16.12186148
  O     19.07093644      9.81175276    -13.80879290
  H     12.65059773      5.72089835     -9.59097638
  H     19.97238106      6.53475966    -13.99313496
  O     20.50338031      5.59250252    -15.56540156
  H     14.66817168      4.59390707    -14.26649389
  H     19.45253769      7.87167723    -13.41820705
  O     18.46788914      9.07412162    -16.44506075
  H     13.20744683      4.34139552    -13.84174483
  H     16.74434597      4.60426910    -13.14324135
  O     16.68257941      7.20897120    -15.33048383
  H     14.97787888      7.81450735    -12.74028150
  H     16.88170723      4.03758296    -14.57936613
  O     13.12668362      8.90320639    -15.04135170
  H     16.04935449      8.96397413    -12.71727167
  H     15.46685504      3.71551234    -10.69385345
  O     15.20594820      2.27206872    -11.93917746
  H     18.76773164      4.91728543    -15.79244366
  H     16.27716189      5.02698458    -10.72316044
  O     14.20691826      6.71916473    -16.49017791
  H     17.40261092      5.64319990    -15.69857257
  H     16.33800651      7.04011187    -18.72065600
  O     19.62942858      6.95230507    -13.19349819
  H     13.39532663      2.92285430    -12.16145046
  H     14.99608684      7.35766816    -18.03863321
  O     16.37001688      3.96180100    -13.76530166
  H     12.59861409      4.14300178    -11.67185960
  H     13.44840732      6.39619453    -13.41827339
  O     15.53828935      4.58620104    -10.28316553
  H     18.23236292     10.15986465    -13.46656400
  H     13.12228264      6.73923357    -11.94978136
  O     15.67192701      7.73020948    -18.62263093
  H     19.76201515     10.36668786    -13.45327368
  H     16.26583475     11.45875781    -12.45619262
  O     13.32483108      7.13637236    -12.80587166
  H     21.36013186      5.18092407    -15.64026708
  H     16.07878551     10.78387260    -13.84043687
  O     16.58284577     10.74646701    -13.00396209
  H     20.38272094      6.14093681    -16.36139434
  H     16.07899423      9.35625149    -18.16128763
  O     16.35042422     10.23392466    -17.83605400
  H     18.71084338      9.47664508    -15.60211015
  H     16.25438528     10.83834265    -18.56707822
          69
 Energy    -248.79354827900150     
  O     19.53771579     10.71113984     -9.80325033
  H     19.31126738     10.32225069     -8.94905118
  H     18.24171513     11.24766917    -10.96129941
  O     18.90494551      6.35805296     -9.80061020
  H     20.48508054     10.89824548     -9.78247283
  H     22.19066720      9.89339336     -9.27582750
  O     20.16319229      4.79128046    -12.97648523
  H     19.24478664      7.01685438    -10.42850553
  H     23.05185242     11.17252347     -9.36567217
  O     20.39110372      6.85059106    -15.00064412
  H     18.20283948      6.79945553     -9.30668910
  H     18.90918529      8.53890953    -13.05652998
  O     17.55594775      5.03162296    -11.82374736
  H     20.18614973      5.39091799    -13.73160216
  H     18.82477977      9.62995387    -14.13421423
  O     22.05910781      7.97067169    -12.96668474
  H     19.24334894      4.75091454    -12.68916908
  H     13.59271574      6.99909610    -11.74747549
  O     21.65626961      8.54871634     -8.27600191
  H     19.71042982      7.50165534    -14.76335571
  H     14.68651658      6.67662957    -12.78335295
  O     14.77407810      6.29491017     -8.73819114
  H     20.38045574      6.77117920    -15.95107571
  H     16.20932765      8.48990145    -11.71519342
  O     22.32682180      5.72614417    -11.48730928
  H     18.02928336      5.39920846    -11.06278382
  H     16.52167559      9.95290013    -11.26929070
  O     19.71388202      8.36338207    -11.45235283
  H     16.73714393      4.65016392    -11.48395712
  H     16.88460682      6.48804249    -12.69906909
  O     18.98366497      9.28902238     -7.43282842
  H     21.64570259      7.60474233    -13.75744415
  H     17.09577580      7.76295005    -13.56975405
  O     17.59159410     11.31389096    -11.67612283
  H     22.32231789      7.21174770    -12.42127727
  H     22.04031468      9.79093213    -12.84334722
  O     22.32961170     10.71234963     -9.78510482
  H     20.78337573      8.72074892     -7.90272384
  H     22.06330775     10.80520573    -11.69348732
  O     18.63350439      8.69809306    -13.97399045
  H     21.69460595      7.59680950     -8.42770568
  H     16.21494779      7.32718516     -8.50298799
  O     13.89785767      6.31413326    -12.35530525
  H     14.20590349      6.93049582     -9.19291366
  H     16.71319105      8.43892971     -9.45461668
  O     16.06619617      9.13841303    -11.01227975
  H     14.87130147      5.55083947     -9.34459125
  H     14.37780876      8.72957647    -10.57178397
  O     16.44131344      7.27005845    -13.05983401
  H     21.59861598      5.28091770    -11.94861531
  H     12.90723758      9.03641646    -10.20902450
  O     21.81200447     10.70491527    -12.61822173
  H     22.12296656      5.68447643    -10.54786874
  H     19.63848666     12.10170854    -14.45403290
  O     16.94202728      7.94896589     -8.65145027
  H     20.58576432      8.26664566    -11.85998893
  H     20.31620555     11.17621315    -13.41918076
  O     13.52150635      8.32201204    -10.35620474
  H     19.69730644      9.18755620    -10.95131668
  H     20.45814333      5.87415690     -9.08760105
  O     19.47527636     11.36287067    -13.87400722
  H     18.73587739      9.58932680     -6.56182028
  H     21.38335677      4.98571170     -8.22288568
  O     21.37153525      5.76606678     -8.77138673
  H     18.22473948      8.79117726     -7.78136859
  H     14.53209267      4.96841886    -11.42452753
  O     14.99210112      4.32998040    -10.84995173
  H     18.11506850     11.41865696    -12.47793195
  H     14.50553966      3.51147505    -10.90388805
          69
 Energy    -248.79330905118445     
  O     17.91130901      9.91198247    -16.08571985
  H     18.63185093      9.36032548    -15.74283846
  H     15.08142804      8.84517519    -13.86223256
  O     15.99587555      8.96887811     -9.98662407
  H     17.81395474     10.61994566    -15.44029977
  H     18.34012751      7.48470974    -13.83708254
  O     12.45856360      8.93803441    -12.52548458
  H     15.11489366      9.34738438     -9.86897550
  H     17.32529005      6.34186234    -13.46914961
  O     16.22660107      7.88197533    -16.64734996
  H     15.86081086      8.01496465    -10.09771003
  H     15.03188009      5.36430262    -13.37248056
  O     11.80354701      6.20942026    -12.00947002
  H     12.07203987      8.06366462    -12.38754800
  H     14.36967044      6.75891486    -13.54858283
  O     19.27694101      6.72886850    -10.96507239
  H     13.03197381      8.85001665    -13.29683210
  H     17.80275331      9.25671452     -9.91063147
  O     15.26713747      6.32602803    -10.39778226
  H     15.94428698      7.93004779    -17.55793500
  H     19.04574778      9.76230511     -9.15158915
  O     17.52887519      4.70021931    -10.13042837
  H     16.79937852      8.65502828    -16.49360845
  H     20.54585287      5.36105579    -14.36240868
  O     18.11184326      3.05996177    -12.18321649
  H     12.67032639      5.98645903    -12.39138644
  H     21.37247283      5.33282375    -15.66930346
  O     19.68881968      8.30166203    -14.76233224
  H     11.18271404      5.56755612    -12.34385763
  H     13.01135626      9.52239557    -10.96371153
  O     20.31687547      4.78648412    -12.74393121
  H     19.28086234      7.56475954    -10.48818188
  H     12.75249372     10.46396235     -9.76573229
  O     14.48189466      8.35331376    -14.44357951
  H     18.69883429      6.87559898    -11.73066899
  H     19.28895561     10.64516103    -12.96091514
  O     17.68618518      7.19037414    -13.18752314
  H     15.02163989      6.20235979    -11.32374258
  H     19.55890217      9.79061044    -11.71078522
  O     14.32751356      5.93776936    -13.03901278
  H     14.43774812      6.42158682     -9.90742570
  H     17.34688993     12.39307556    -13.54155346
  O     18.76813705      9.34173899     -9.96241867
  H     18.20895548      5.37702468    -10.24968074
  H     17.17157275     10.86850995    -13.34586369
  O     20.61845959      5.74352913    -15.25537899
  H     16.69004189      5.17992319    -10.12126946
  H     16.99936402      4.79583683    -14.76235440
  O     13.29818477      9.73864689    -10.05838650
  H     17.86833892      3.57359412    -11.39035374
  H     17.09794692      4.03361159    -13.39012964
  O     19.89156833      9.98540065    -12.59392832
  H     18.09889380      2.14066209    -11.93252344
  H     17.41349379      6.33251879    -16.35110613
  O     17.75072793     11.54991468    -13.72964510
  H     19.97953818      8.79713249    -13.98124694
  H     18.77349670      5.65994655    -15.98259500
  O     16.58189512      4.67270365    -13.89593812
  H     20.23569072      7.51914544    -14.89641002
  H     12.84779084      7.90206943     -9.48821151
  O     17.84028273      5.48950962    -16.15518418
  H     19.65480826      4.10120113    -12.59114923
  H     12.29390733      6.65437910    -10.20094846
  O     12.76710487      6.94390691     -9.40962047
  H     20.16681689      5.45261521    -12.06065565
  H     16.10593340      9.42375903    -11.75870246
  O     16.30308351      9.47088084    -12.70107099
  H     14.98042516      8.16661119    -15.24830279
  H     16.82400395      8.67529588    -12.89968726
          69
 Energy    -248.79300162403217     
  O     13.94000876     11.47892293     -8.50858731
  H     14.05866411     11.28666009     -7.58220706
  H     10.00626633     13.01459513    -12.95801768
  O     11.00654335     10.85641421    -14.93704598
  H     14.16250859     10.66127519     -8.99302777
  H     17.07268278     13.58543065    -17.03352350
  O     14.37626342      9.25288946     -9.94239834
  H     11.42844969     11.03377708    -15.78710482
  H     16.05576492     13.62514363    -15.86672241
  O     18.21679754     13.67787650    -13.75541545
  H     10.90124399     11.71147100    -14.49486090
  H     13.30324085     14.50973711    -11.46879548
  O     11.67687576     11.98017597    -10.09538141
  H     15.05796848      9.15755516    -10.62301537
  H     13.40591529     13.19201690    -12.28327229
  O     11.84818773      9.36765801    -11.21553285
  H     13.53045928      9.04685629    -10.35795253
  H     11.44935743     13.97062765    -15.25380672
  O     13.14057048      9.70979228    -13.62464305
  H     19.15598259     13.79169269    -13.88229402
  H     12.14686108     13.30606047    -16.46314643
  O     14.63992070     15.61146794    -10.82013024
  H     17.84221606     13.45587288    -14.62229420
  H     15.30745288     11.99440495    -12.76252607
  O      9.56719804      9.64251046    -12.76427437
  H     12.34798044     11.83284665     -9.41705928
  H     14.05157958     11.27459136    -13.35769538
  O     14.62708748     14.16868970    -15.04780653
  H     12.05080742     12.64793469    -10.69009461
  H     13.45711821     11.33357018    -16.95499595
  O     15.11598267     10.90339834    -16.54702148
  H     11.80714739     10.24440672    -10.81039410
  H     12.41738612     11.34493326    -18.09745464
  O     10.68080164     13.29593146    -13.58725792
  H     11.01639352      9.26332534    -11.70003566
  H     16.64720542     10.09039986    -11.93070181
  O     16.88109783     13.20927254    -16.17746466
  H     12.79259885      9.51060677    -12.74543461
  H     16.14622998      8.99752599    -12.89225395
  O     12.78140813     13.79368299    -11.84846435
  H     12.40001539     10.05084424    -14.14393818
  H     15.35999566      7.82037260    -14.95298060
  O     12.05702382     14.14018994    -15.98406427
  H     15.19674547     15.64667614    -11.61922369
  H     14.56433082      8.99005903    -14.32808778
  O     14.46219501     12.13442722    -13.20982425
  H     14.63281805     16.48987107    -10.45031894
  H     16.63625592     12.37411628    -11.15248315
  O     12.53874173     11.56551062    -17.17736575
  H      9.28174213     10.45465033    -12.32732061
  H     17.46259714     12.49904883    -12.48133348
  O     16.28990721      9.19135977    -11.96090047
  H      9.91981460      9.91989311    -13.61946558
  H     10.00974447     12.09230492    -10.83188924
  O     15.42167426      8.74417194    -14.72030392
  H     13.74554642     14.30951308    -15.41735047
  H      8.50656298     12.44271041    -10.82658077
  O     16.91812971     11.90489251    -11.95454934
  H     14.55791654     13.41570475    -14.43983771
  H     16.90428242     15.03147875    -13.20157983
  O      9.22137357     12.16553551    -11.39473640
  H     15.80033142     11.56376229    -16.39967841
  H     15.51009470     15.23303329    -13.80963613
  O     16.09228478     15.53946014    -13.10006903
  H     15.32030870     10.16142316    -15.96368885
  H     15.17265406     12.67127907     -9.34224944
  O     15.82683811     13.19527623     -9.82060825
  H     11.42650973     13.58675496    -13.04150921
  H     15.40876475     14.03608741    -10.03933216
          69
 Energy    -248.79296000911987     
  O      1.55239951     -0.59255784      5.25467793
  H      0.65429566     -0.87903654      5.50098879
  H     -2.37516607      2.86446603      0.14337103
  O      1.98675769     -1.37433183     -2.55619830
  H      2.09207650     -0.67713225      6.03658791
  H     -2.04929433      0.58440360      3.78979034
  O     -1.02730331     -1.20611391      5.81082436
  H      1.84192621     -2.28600864     -2.27272559
  H     -2.91115354      1.72697974      4.33831575
  O     -0.18145147     -0.16297169     -1.12879529
  H      1.20252766     -0.88747916     -2.27219192
  H      0.84147895      1.79018656      1.43276539
  O      1.57588222     -3.89182863     -1.22904242
  H     -1.52451799     -0.40556605      5.59585572
  H      0.30691585      2.28683122      2.81001831
  O      3.24974546     -2.84255062      0.62277556
  H     -1.52750643     -1.93682367      5.43023055
  H     -2.27944356      1.96580787     -2.30918929
  O     -3.94722388      2.70491523      3.25457074
  H      0.48512060      0.08784963     -0.47343501
  H     -1.48361031      1.04227396     -1.36100585
  O      0.38691554      1.96522532      4.56914312
  H     -0.49335584     -1.04449932     -0.88285597
  H     -1.05415892      0.84898871      1.92345079
  O      3.95688859     -0.49856114     -0.88364884
  H      1.86132542     -4.76535652     -1.48250197
  H     -2.38216209      0.13486103      1.50089511
  O     -5.64175850      0.57566424      2.20124533
  H      2.18713917     -3.58638397     -0.53419146
  H     -0.07299099     -3.26635062     -0.69682296
  O     -4.36502756     -0.99329163      4.19417527
  H      3.65849281     -2.08333603      0.18914778
  H     -0.85236780     -2.80476731      0.57626379
  O     -2.33877771      3.26447346      1.01775888
  H      2.81857124     -2.49823054      1.41676358
  H      1.79971763     -1.26130770      3.54970924
  O     -2.33997582      0.99535479      4.61962198
  H     -4.62924650      2.10933053      2.92557548
  H      0.87009663     -2.02316237      2.57438565
  O      0.12370033      2.27579501      1.85807736
  H     -3.43867604      2.98447973      2.47836265
  H      2.64022685      0.25091468      0.21939318
  O     -2.24913973      1.63916179     -1.41356989
  H      0.87145768      1.16948003      4.81872059
  H      1.80335958     -0.25338916      1.42508193
  O     -1.61945881      0.08318982      2.09029075
  H     -0.53922680      1.78778990      4.77398212
  H     -3.35119714     -2.41462404      4.28421971
  O     -0.86245891     -2.80224003     -0.39275664
  H      4.72383462     -0.14833756     -1.32802543
  H     -3.11043715     -3.85565462      4.79071974
  O      1.74112929     -1.60852391      2.65093908
  H      3.33046857     -0.77841385     -1.57489932
  H     -1.11783367     -1.56232890      2.25671390
  O      1.83683795      0.41621912      0.72663696
  H     -5.03464648      0.40093955      1.46185499
  H     -1.44617307     -2.87315699      3.00928409
  O     -2.67379100     -3.10623821      4.39496686
  H     -6.51017653      0.68857184      1.82360529
  H     -3.97097218     -3.21552287     -1.23774514
  O     -0.86545400     -2.49815650      2.33768765
  H     -3.80078171     -0.28253650      4.52224158
  H     -2.61271435     -2.66760198     -0.76538748
  O     -3.55269838     -2.44575658     -0.86149000
  H     -4.92230163     -0.57560407      3.52671733
  H     -3.78306602     -0.84840275     -0.12379784
  O     -3.79019037      0.03747681      0.26807736
  H     -1.43173149      3.11054281      1.31933936
  H     -3.38827389      0.63897255     -0.37155603
          69
 Energy    -248.79265645609522     
  O     -0.73567965      1.41740374     -2.80058916
  H     -0.13223676      2.14395373     -2.58047058
  H     -1.67819078      0.00476414      2.65374279
  O      0.92871399      3.45045581     -1.95224562
  H     -0.19636655      0.62571805     -2.88945301
  H      0.25310741      0.03021040      1.92610999
  O      3.73837159      1.10025363      3.25110103
  H      1.87174819      3.32973784     -1.79408145
  H      0.40192333     -1.37636925      2.53716472
  O      0.31877398      0.86888916      0.38592342
  H      0.54454087      3.67032400     -1.09218002
  H      2.71264456     -1.60480342      1.54196964
  O     -3.15603103      1.59835641     -1.66966670
  H      3.61407498      0.35911732      2.63131307
  H      3.25432494     -0.54443760      0.56392327
  O     -2.85728582      2.70234958      0.92657971
  H      4.58223275      0.96319407      3.67433995
  H     -2.76337272      3.68355096      2.59287414
  O      1.03872368     -0.89260782     -2.83172658
  H      0.17626677      1.82397515      0.42558439
  H     -2.80037513      3.19209089      4.04937225
  O     -2.15461778     -0.53393030     -0.14415317
  H     -0.47613653      0.46144800      0.02063389
  H     -0.68125158      4.00891905      3.47728153
  O      3.66181868      2.89149899     -1.26112467
  H     -2.29671140      1.58110444     -2.13234075
  H      0.56754135      3.09062828      3.67373704
  O      3.64048981      3.28335216      1.38821563
  H     -3.82581130      1.71077532     -2.33811378
  H      0.74522778      0.71850886      3.83001997
  O     -0.14198006     -2.38239756     -0.69417949
  H     -2.75406948      1.89439386      1.45003692
  H      2.10204727      1.40623855      4.06816045
  O     -2.56906202      0.34996129      2.49383164
  H     -3.07220243      2.42335207      0.02776846
  H     -2.30583055      1.57041935      5.49366871
  O      0.06418902     -0.49312098      2.72311434
  H      1.70529489     -0.49093778     -2.24822510
  H     -3.83732040      1.39830865      5.62175976
  O      3.36562667     -0.90069041      1.45546293
  H      1.49935039     -1.18460393     -3.61447376
  H      0.00139698      1.61694230      5.67166646
  O     -2.48488075      3.91112045      3.48918670
  H     -2.61697549      0.08641635     -0.72183816
  H     -0.42978842      2.35584191      6.94618263
  O      0.27365703      3.94428391      3.33140670
  H     -2.46249081     -0.36555932      0.75608359
  H      1.82974881      0.53200606     -0.47892528
  O      1.16811362      1.44754379      4.30805002
  H      3.66680628      3.07028583     -0.30190957
  H      3.07997318      1.15942755     -1.15371072
  O     -3.13724813      1.53957995      4.98957821
  H      4.43503422      3.31451723     -1.62314470
  H      0.06234646      3.78173987      1.49017713
  O     -0.73782224      1.73618136      6.28867852
  H      3.32172993      4.06508668      1.85968888
  H     -1.18202932      3.39081214      0.65599084
  O      2.63819317      0.31962527     -0.97450651
  H      3.68777600      2.56967997      2.03306093
  H      1.25366824     -3.73304827      1.79364445
  O     -0.23400092      3.57404385      0.59527932
  H      0.25455451     -1.99339304     -1.48251080
  H      0.74853151     -2.69203621      0.76807600
  O      1.21468654     -2.79715408      1.61741410
  H     -0.94358338     -1.86773013     -0.52500753
  H      1.70800247      4.98446600      3.06779547
  O      2.54043781      5.40927702      2.80395514
  H     -2.88067927      0.68145485      3.34457162
  H      2.32409553      6.32256208      2.63245620
          69
 Energy    -248.79215186525795     
  O     10.28259886      6.92571212    -13.76609579
  H     10.78518112      7.74332685    -13.67182519
  H     15.91397310      5.13207690    -13.38571585
  O     11.85040639      4.56496229     -8.68996250
  H     10.79289486      6.36899080    -14.36600989
  H     13.16574325      5.21613949    -12.13326164
  O     17.13969534      7.88642736    -11.98547166
  H     12.81040725      4.69158181     -8.68166734
  H     14.41756196      6.09019722    -12.27498741
  O     16.15511452      7.24350236     -8.47830686
  H     11.66760151      3.96262993     -9.41919295
  H     10.00137219      6.04369697    -10.71756576
  O     13.39712513     11.42549981    -13.92883123
  H     16.43068469      8.24367696    -11.42841590
  H      9.94499878      5.98661587    -12.26710508
  O     10.60814587      6.94832311     -9.11884295
  H     17.36456799      8.57381631    -12.62590062
  H     16.69402680      9.86967604    -14.44594285
  O     13.83649282      7.39032909    -14.98468448
  H     15.84189310      7.98076233     -9.02039227
  H     18.14721966     10.38055059    -14.30527345
  O     15.69334445      3.29687859    -12.90222855
  H     16.97882581      6.94613695     -8.88113677
  H     11.83653209      7.93437692    -10.12633452
  O     15.54470723     11.24218367    -12.03516302
  H     12.87931182     10.63056074    -13.71318162
  H     12.88352822      7.36280347    -11.10382036
  O     16.66230753      3.97120998    -10.49404846
  H     12.77076610     12.11254167    -14.14037566
  H     18.02388674      6.85499648    -10.83036718
  O     14.51482534      5.13671523     -9.14272083
  H     11.05168577      6.11398871     -8.88091852
  H     19.26975443      6.44987320    -10.00950788
  O     15.75831431      6.07086055    -13.54288660
  H     10.05778300      7.18669787     -8.37785366
  H     15.27695099      9.90336108    -10.86545032
  O     13.65926865      5.92212665    -11.70198557
  H     13.21709190      6.69947844    -15.24786167
  H     14.23263108      8.82721830    -10.45010212
  O      9.88165636      5.44815621    -11.46542783
  H     14.57101865      6.93621360    -14.54541569
  H     14.76006650      8.96649577    -15.41726160
  O     17.44175555      9.95367820    -13.82685609
  H     16.04825215      3.47338776    -12.01122375
  H     14.61740541     10.45124388    -15.02760972
  O     12.52289565      8.19319522    -10.75204950
  H     16.19890577      2.57127789    -13.25884932
  H     10.61490133      3.92308270    -11.27200802
  O     18.34525977      6.25294352    -10.13844975
  H     14.79796989     11.40648199    -12.62471733
  H     10.48724072      2.40641111    -10.98005332
  O     15.17187134      9.04954219    -10.42007948
  H     16.26656728     10.95125323    -12.60454094
  H     12.80236562      8.44858800    -13.86684817
  O     15.23729768      9.80614466    -15.39121800
  H     17.33517218      4.65031767    -10.36723380
  H     12.28262701      8.81122604    -12.43288913
  O     11.12372749      3.10291447    -11.11899973
  H     15.92884894      4.22177511     -9.91513332
  H     12.31536497      4.63041141    -14.59560738
  O     12.20904695      9.03303937    -13.37260035
  H     14.21378933      5.42375247    -10.01676027
  H     11.74903415      4.69189451    -16.03281895
  O     12.03663245      5.23538008    -15.30336559
  H     15.02616418      5.87054911     -8.77035479
  H     13.79213615      3.41683830    -13.05283365
  O     12.87051593      3.66747957    -13.19824713
  H     16.37298666      6.59867687    -13.01454603
  H     12.32345429      3.30624701    -12.48629294
          69
 Energy    -248.79180683050583     
  O     14.45887527      5.20181986     -9.56301314
  H     15.13984668      4.93173664    -10.19022602
  H     15.89963818      8.90620335    -12.11877051
  O     14.35749836      8.90215333    -16.34227271
  H     13.60531893      5.03863942     -9.99057024
  H     13.94658495      7.88404233    -11.59897930
  O     17.99708835      8.99377968    -14.31900136
  H     13.85873993      8.98716173    -17.15086236
  H     14.55861134      6.95774656    -12.71280815
  O     15.60893941     11.93816440    -12.73925635
  H     13.72299854      9.00072970    -15.61108474
  H     12.08470854      4.75110474    -11.86165107
  O     10.86239251      7.26248951    -13.57595879
  H     18.87855713      8.62063822    -14.20253199
  H     11.48402674      5.66501119    -10.78146742
  O     18.89910770      4.02991098    -12.56632329
  H     17.62896810      9.14654211    -13.43591591
  H     20.21424624      7.25483894    -12.96930270
  O     12.24490407      4.75876500    -13.76691548
  H     15.73233819     11.62913643    -13.65483430
  H     21.28730194      7.74675485    -13.97166644
  O     17.38565289      7.41525157    -10.25271888
  H     15.89412994     12.84765788    -12.71657996
  H     15.40683450      5.91307224    -14.29964925
  O     13.14545296     10.81594133    -11.82570961
  H     10.66574605      7.31380419    -12.63207832
  H     15.48380449      5.16157495    -12.92640526
  O     18.67692267      5.46073133    -14.86843930
  H     11.26183668      6.39444220    -13.71469212
  H     16.88738160     10.32133808    -15.03019572
  O     12.78807161      9.12235155    -14.12601906
  H     18.79950409      4.46210392    -13.43383767
  H     15.49280353     10.31651563    -15.67312071
  O     16.67760475      9.46192053    -11.94396763
  H     19.30460209      3.18176999    -12.72286127
  H     15.63956686      7.56272270    -15.84466149
  O     14.51876371      7.85957071    -12.37622341
  H     12.10228449      3.99073589    -14.31432364
  H     16.91328547      7.70424392    -14.99823156
  O     12.07342671      4.91189998    -10.91111838
  H     13.19937678      4.94300514    -13.78709832
  H     19.58455879      5.60490407    -11.68175694
  O     20.35437281      7.57532384    -13.87859400
  H     17.25707907      8.19606321    -10.81142210
  H     19.07279406      6.84033052    -10.90518550
  O     14.89345247      5.40797121    -13.65335034
  H     16.71416260      7.48255731     -9.56350676
  H     11.43198887      7.83962063    -10.46664804
  O     16.11461412     10.87872899    -15.19740498
  H     13.94752696     11.29551125    -12.06546531
  H      9.92517864      7.67258260    -10.16372418
  O     16.31885766      7.04834344    -15.39210426
  H     12.83298681     10.42060886    -12.64958956
  H     17.32486407      4.54559443    -11.77812406
  O     19.80469192      6.51459759    -11.44462362
  H     19.29612728      6.18012996    -14.68827603
  H     16.82452312      5.85336673    -11.10659004
  O     10.62846807      7.35545086    -10.72418512
  H     17.87227363      5.87446439    -15.20140125
  H     15.10808090      7.57202507     -7.60070053
  O     16.53268376      5.01026012    -11.48135284
  H     12.01237970      8.54913290    -14.03087472
  H     14.81902966      6.70860536     -8.85415455
  O     15.08801949      7.59863064     -8.55375964
  H     13.46316563      8.74030958    -13.54485534
  H     13.70297717      8.46930695     -9.54606455
  O     12.97804906      8.62248971    -10.16309755
  H     16.39165623     10.37620480    -12.05249128
  H     13.08690756      9.48108063    -10.60271715
          69
 Energy    -248.79170924337001     
  O      1.78163207      1.57823502      3.22428800
  H      1.11471064      1.91235351      3.83550103
  H     -3.80506248      0.88850331      1.60511301
  O      2.10464257      2.35934270      0.62029968
  H      2.01101768      0.69067551      3.52509520
  H     -2.51171588      0.12138507     -0.32983746
  O     -1.88943583     -1.28832484      4.36638665
  H      1.99322460      2.08553323      1.54761843
  H     -3.03020833     -1.18689098      0.35401042
  O      0.49920323     -4.21939711     -2.06741633
  H      2.86428915      2.93590644      0.59762373
  H     -2.52412102     -3.17754245     -1.39700868
  O     -1.57636377     -0.98332387     -3.69464072
  H     -2.34049545     -0.55176002      4.79767264
  H     -1.36426858     -3.71067430     -2.26207992
  O      1.10227218     -1.74455245     -2.98448656
  H     -1.49487377     -0.90499344      3.57076019
  H     -0.86177113      0.92668954      2.20358460
  O     -1.51582449      2.79284159      2.25511005
  H      0.93470909     -4.88449800     -2.59349140
  H     -1.63527502     -0.18536493      1.47240411
  O     -2.97029120     -3.56630362      3.11277578
  H      0.79277300     -3.35473024     -2.40723984
  H      0.58336103     -3.04137213      0.91607416
  O     -1.19518913      0.65247665     -1.46520340
  H     -1.88461926     -1.78174875     -3.22864680
  H      0.29747692     -4.04192363     -0.25086130
  O      1.48049446      0.02716655     -0.83277748
  H     -2.05017557     -0.94385638     -4.52064152
  H     -0.36853854     -2.22353912      4.78852018
  O     -0.41351496     -4.94027649      3.14032407
  H      0.27850373     -1.41673361     -3.36603330
  H      0.24394025     -3.53841062      4.27816302
  O     -4.02756997      1.55000042      2.28110682
  H      1.36916749     -1.09518048     -2.32002935
  H      0.52743661     -0.97396678      1.66395250
  O     -3.08059335     -0.22005923      0.37578899
  H     -1.22146392      3.02017005      1.36134303
  H      1.88365809     -1.46849893      2.20814609
  O     -2.19988633     -3.22965166     -2.30539036
  H     -2.43696178      2.50826464      2.20717330
  H     -0.37587607      3.51108137      5.16308259
  O     -0.88970996     -0.02638522      2.06610256
  H     -2.74506757     -2.77828579      3.62661358
  H     -0.81019766      2.86109279      3.82721447
  O      0.07841231     -3.82928074      0.66457068
  H     -2.21701150     -4.15873779      3.22184339
  H     -2.12494689      1.67313823      5.01858609
  O      0.45980633     -2.72214524      4.74360558
  H     -1.38164351      0.20899263     -2.30235030
  H     -3.36217952      1.32056403      4.16179912
  O      1.30714293     -1.50754308      1.43670999
  H     -0.29527802      0.39885980     -1.21528579
  H      3.26953635     -1.33938591      4.42350550
  O     -0.42951657      2.67510842      4.70544468
  H      1.79545783      0.86329520     -0.46855108
  H      1.76899887     -1.69121446      4.29572525
  O     -2.94987589      1.17265434      5.02138784
  H      1.50464538     -0.59713725     -0.09295870
  H     -2.92869445     -3.17193456      1.35538551
  O      2.47670113     -1.12176795      3.94126860
  H     -0.25001524     -5.88006998      3.15245976
  H     -1.66536287     -3.18732042      0.48795419
  O     -2.59705309     -2.93055589      0.47770991
  H     -0.21859184     -4.63476177      2.23877371
  H     -0.81820688      2.38654091     -0.78504746
  O     -0.51425841      3.12907143     -0.24700186
  H     -4.94102602      1.78619499      2.13872430
  H      0.41052597      2.95000236     -0.03218642
          69
 Energy    -248.79120513123544     
  O     15.32137761     10.62452581    -15.12951725
  H     15.47878519     11.49003798    -14.76105587
  H     16.12469563      3.74211239    -16.69984526
  O     13.06173580      4.29610605    -15.88039839
  H     15.63850655      9.97878582    -14.47385732
  H     20.72873871      4.03411381    -16.25366010
  O     17.95883140      7.03128632    -12.28053320
  H     12.19321266      3.96963715    -16.10282764
  H     19.80462593      5.06876934    -16.93684697
  O     19.29279973      5.97146468    -18.41569377
  H     13.13008433      5.19206360    -16.25589056
  H     15.23189812      6.66484741    -16.00040372
  O     16.68543840      5.61039060    -18.97019730
  H     18.67257351      7.00617055    -12.93608815
  H     16.58017004      5.95923398    -15.64630983
  O     14.01285875      7.31649897     -9.87065742
  H     17.32136435      7.68167967    -12.60593226
  H     13.00505251      8.55556236    -14.21401566
  O     13.95279593      5.01770252    -13.29720029
  H     19.73982250      6.02924172    -19.25618999
  H     13.63437115      9.59130703    -15.16992430
  O     15.98444802      8.52204408    -13.51331695
  H     18.34922497      5.82855349    -18.61370164
  H     16.26052193      2.95793723     -9.59313910
  O     17.30242766      4.26043560    -15.41764015
  H     16.05446658      6.32621101    -19.09244575
  H     15.22411408      3.92586501    -10.21578137
  O     13.60995569      4.54385636    -10.53574850
  H     16.21428890      4.90217190    -18.50593925
  H     13.24278227      7.56629876    -16.24677336
  O     19.24391209      8.35706651    -16.77371799
  H     14.96626771      7.11798899     -9.84056388
  H     13.84674929      7.14312414    -17.62986321
  O     15.45510961      3.69508826    -17.39856332
  H     13.80537651      7.78695036     -9.06785966
  H     19.55969989      7.56916199    -15.11542536
  O     19.99491417      4.62247263    -16.09514895
  H     13.66159589      4.67067798    -14.14822355
  H     19.92498735      6.11676874    -14.81227993
  O     16.12164571      6.80725022    -15.65277453
  H     14.90597105      4.87182492    -13.22074164
  H     17.14617073      5.44123203    -12.61177814
  O     12.96703605      8.89779753    -15.11776873
  H     15.14059439      8.29081279    -13.10060662
  H     16.60468618      4.16660957    -11.91127905
  O     16.17587910      3.73036743    -10.14470090
  H     16.10599216      7.89284188    -14.24293071
  H     17.21151721      6.79337094    -10.58004588
  O     13.52396252      6.80930311    -16.78481119
  H     17.16086177      4.24158950    -14.46071434
  H     16.60652421      5.59749485     -9.81802559
  O     19.70044219      6.94955339    -14.38535812
  H     18.25244952      4.29583081    -15.58004472
  H     14.65593591      8.41136815    -19.77714499
  O     16.69175326      4.60022638    -12.76838285
  H     13.59026105      5.45572068    -10.21965312
  H     15.47919278      8.40869549    -18.46632717
  O     16.62543531      6.56176255     -9.84693130
  H     13.56229075      4.60222064    -11.50005816
  H     13.60196548      6.74844707    -12.89829125
  O     14.88745316      7.87449041    -19.02368675
  H     18.40920466      8.79408710    -16.97759949
  H     13.57272639      7.65961890    -11.64667167
  O     13.51242716      7.66966836    -12.61012331
  H     19.29394613      7.60871638    -17.38080728
  H     16.50280962      8.24273184    -16.67186820
  O     16.51084484      9.07650059    -17.17115600
  H     14.60900842      3.75300212    -16.94345005
  H     16.12688277      9.74238530    -16.58742060
          69
 Energy    -248.79093939716779     
  O     17.18458682      8.00514174    -12.47060760
  H     16.70218102      8.84556045    -12.45005183
  H     14.30858880      9.45078704    -12.84431744
  O     13.64320110     13.26698119     -9.72080442
  H     17.27912313      7.74509806    -13.39380678
  H     12.40857303     10.30493567    -13.08422651
  O     17.37385696      7.57022735    -15.22004618
  H     14.30039637     12.55160611     -9.65751254
  H     11.19081511     11.09165740    -13.61678229
  O     11.73639765     11.15981710    -10.11296359
  H     13.85285321     13.89566223     -9.03539474
  H     16.97381494      8.69568550     -7.17487214
  O     16.31669415      6.70670571    -10.22059789
  H     17.46889277      6.83582284    -15.81962736
  H     17.95647284      9.01741349     -6.02264691
  O     19.32372957      9.00163201    -11.02211667
  H     16.51486691      7.98837558    -15.41353411
  H     16.20448967     10.91042897     -9.40497025
  O     20.10914451     10.96610254    -12.88815177
  H     12.22492295     11.96458139     -9.89901623
  H     14.72408186     10.35169323     -9.38290860
  O     17.97058475     10.69087331     -9.23582801
  H     11.67303364     11.14615624    -11.07581383
  H     19.14660483      7.67932752     -9.62618897
  O     13.34523910      9.14166922     -9.16979222
  H     16.57664341      7.10451515    -11.06539316
  H     18.59346506      7.67499172     -8.19354369
  O     15.06683383      8.93465312    -15.57277948
  H     17.14465420      6.64031193     -9.72243124
  H     15.41281679     13.08047296    -13.10637006
  O     13.68436051      6.98226092    -11.02912943
  H     19.75708126      9.63645594    -11.60515946
  H     16.93795954     12.86989625    -12.72518326
  O     13.54956347      8.92121358    -13.14131854
  H     18.62980946      8.58833175    -11.55678122
  H     15.95978856     11.10518738    -12.74430704
  O     11.89560401     11.12187139    -12.97411963
  H     19.59900157     10.67296783    -13.66394208
  H     15.53830076     10.58189324    -11.35411366
  O     17.86450582      9.03581809     -6.97102544
  H     20.95781797     11.25609396    -13.21238834
  H     18.35657627      9.21491832    -15.11968972
  O     15.28649261     11.09170661     -9.64956721
  H     18.02276967     10.25421156     -8.37580808
  H     17.90073287     10.66123353    -15.35374970
  O     18.74753180      7.10689844     -8.95752632
  H     18.43014867     10.10718526     -9.85592664
  H     16.16917498     12.13696129    -16.53606812
  O     16.27694087     12.77715377    -13.42673284
  H     12.67861571      9.79036757     -9.44135442
  H     16.26656869     12.05821202    -14.99507065
  O     15.70804213     10.30750502    -12.26498361
  H     13.34074962      8.43212697     -9.82272389
  H     18.91248331     12.10813200    -11.94625041
  O     18.63282021     10.13278328    -15.01389968
  H     15.35098842      9.85403279    -15.66107226
  H     18.11854299     12.13035292    -10.63137518
  O     16.26655334     11.52579087    -15.81030840
  H     14.44577209      8.89486678    -14.83544602
  H     13.68376168     13.42809556    -11.59145508
  O     18.21304554     12.58195797    -11.47689077
  H     13.19738932      6.16923128    -10.91244543
  H     13.10649451     12.61596193    -12.76387928
  O     13.74985330     13.30071631    -12.54648402
  H     14.59341720      6.79907785    -10.73874372
  H     15.77303793      7.54395825     -8.60563895
  O     15.50216153      8.02437558     -7.81213056
  H     13.50334681      8.17311589    -12.53573323
  H     14.64875185      8.41531709     -8.03530076
          69
 Energy    -248.79078605769178     
  O     12.65693749      3.77168641    -20.10505756
  H     12.02950511      4.13440830    -20.72465863
  H     12.36583636      4.48282525    -14.79367867
  O     12.62894177      5.29882476    -17.87527528
  H     12.60804885      4.32295179    -19.30289702
  H     14.32482264     -1.62503709    -19.73316149
  O     18.11455365      4.24404197    -14.73293601
  H     12.17662279      5.03041293    -17.06690699
  H     13.31955015     -0.70550018    -19.01332141
  O     14.29272934      2.13105603    -12.47706292
  H     13.50893245      5.58659296    -17.59609932
  H     17.99575874      1.52422876    -17.72031157
  O     13.73351031      4.62186257    -13.73181244
  H     18.27923333      4.04091856    -15.66237982
  H     16.86864275      0.85410886    -18.52504990
  O     17.96946174      3.41019615    -17.44054318
  H     17.73526066      3.43368162    -14.36226128
  H     14.82059958     -3.37403179    -16.60398849
  O     13.66970384      0.32382313    -14.38313963
  H     14.10365903      1.80874098    -11.60020249
  H     14.61643054     -2.21566591    -17.60696621
  O     15.66999501      1.12078605    -19.84798102
  H     13.98320647      1.44997075    -13.10264031
  H     12.83799067      1.36057345    -18.10605209
  O     16.16520620      6.07015665    -14.32529377
  H     14.55500037      5.10949220    -13.85798061
  H     12.78562371      1.98028521    -19.51437902
  O     15.87493633     -1.48484683    -20.88611557
  H     13.94695631      3.82056977    -13.23700814
  H     15.22438441      3.97537308    -16.54881347
  O     16.17249992     -0.29076176    -15.60739372
  H     17.06041254      3.17857000    -17.19387113
  H     15.70263574      2.82235951    -15.59242552
  O     11.62250583      4.32810296    -15.40439071
  H     17.88277105      4.15151251    -18.05107533
  H     12.24979762      2.71088848    -16.10949252
  O     13.71989970     -1.58366074    -18.98191861
  H     14.50086744      0.03688130    -14.78255833
  H     13.69812663      2.31399417    -16.48535703
  O     17.54568692      0.68229196    -17.85234226
  H     13.20402727      0.79945836    -15.08502855
  H     16.52216643      4.98265981    -19.56615837
  O     15.21677296     -2.56897995    -16.92634312
  H     15.76210784      0.30853198    -20.36115887
  H     17.50637283      6.17631283    -19.64822957
  O     12.99188691      1.16410488    -19.04190862
  H     14.76685858      1.12735627    -19.49929800
  H     16.77496543     -2.34486097    -18.05350959
  O     15.34238486      3.01869923    -16.46757881
  H     16.48342435      6.79779756    -13.79779458
  H     17.66958066     -1.13574594    -18.38314362
  O     12.78857509      1.97816343    -16.42998250
  H     16.91173144      5.45368442    -14.43352428
  H     15.90346698      2.05984268    -13.40944550
  O     17.09315921      5.57245143    -19.03792494
  H     16.14852964     -1.94830714    -21.67235309
  H     16.55859009      1.15241189    -14.48893680
  O     17.40645440     -2.00992382    -18.70252396
  H     16.49078867     -1.74258384    -20.17625767
  H     15.57457029      6.05876691    -16.09225325
  O     16.59516897      2.02891218    -14.08195431
  H     16.64219253      0.10776167    -16.35415493
  H     15.91559907      5.84384048    -17.61019721
  O     15.21444240      5.79137211    -16.94720344
  H     15.86208124     -1.14534330    -15.93333834
  H     14.53895501      3.92039078    -20.35211316
  O     15.50155772      3.86359840    -20.36372924
  H     10.82570839      4.54322243    -14.92758035
  H     15.70312189      2.92368954    -20.26142115
          69
 Energy    -248.79056825600782     
  O     13.00867380     11.74689367    -15.96938135
  H     12.39314229     11.57525436    -15.23693806
  H     17.67186222      9.44760125    -16.34462893
  O     14.91293309      7.91140304    -13.33628238
  H     13.53746621     12.52041400    -15.74290486
  H     14.30215348     10.60474131    -15.26316663
  O     16.81225634     11.31965731    -11.12198027
  H     14.91811712      8.73309514    -13.85311362
  H     15.80496955     10.21058109    -15.36970662
  O     17.49134555     12.59044761    -15.15131368
  H     15.55851378      8.02964484    -12.62726139
  H     11.74149276     11.04574386    -12.97626660
  O     12.57155276      7.75409030    -16.25799337
  H     16.08889595     11.66741826    -11.66488519
  H     11.11235713     10.10909990    -14.02665401
  O     12.48750516      7.96771000    -12.07829764
  H     17.61558818     11.48566637    -11.63007213
  H     15.63777234      7.49339008     -8.08512285
  O     14.71033458     12.02838460    -12.76194293
  H     17.44467141     11.85220297    -15.77667403
  H     14.46422767      7.51541691     -9.09211959
  O     15.37989507      7.07823217    -15.96542686
  H     16.63184025     13.02242966    -15.17211650
  H      9.96500439      7.85026848    -14.52781138
  O     12.87152369      6.95484731     -9.55715106
  H     12.56914115      8.45007533    -16.92732830
  H     11.43045825      8.02702705    -14.99137829
  O     18.17087346      7.72728887    -15.76524627
  H     13.47172082      7.41229021    -16.21886553
  H     18.38965084     12.01480289    -13.76883532
  O     18.60668552      8.79223648    -13.32699977
  H     11.81251226      7.98085260    -12.76706872
  H     19.71752140     12.08549010    -12.98208261
  O     17.18132903     10.23725960    -16.60488831
  H     13.34107802      7.87144996    -12.52842398
  H     16.71153083      9.48983071    -11.21234825
  O     15.04245873     10.21943039    -14.77816338
  H     13.97144720     11.66157421    -12.25781134
  H     16.31514626      8.19985746    -10.45799426
  O     11.41893026     11.01369046    -13.88490040
  H     14.93097789     11.36671365    -13.43720110
  H     14.85449036      9.76995831     -9.06748439
  O     15.33440653      7.90137786     -8.89198829
  H     15.17716293      7.19178740    -15.02541916
  H     15.45581390     11.01103004     -9.74168082
  O     10.79698886      8.24681186    -14.28423228
  H     16.34154177      7.15915597    -16.00554349
  H     14.43939308      9.34247544    -18.24371273
  O     18.87914169     11.63227964    -13.01916848
  H     12.66949038      7.26261211    -10.45590478
  H     15.28023569      8.28437390    -17.49803960
  O     16.69161150      8.52409267    -11.28456377
  H     12.03086444      6.77133670     -9.14583847
  H     13.28561348     10.73881030    -10.55304753
  O     14.64806339     10.67356143     -9.33510501
  H     18.94322608      7.24067006    -16.04065101
  H     12.64309848      9.75642024    -11.55865400
  O     15.33271498      8.98992314    -18.15626136
  H     18.34817879      8.04718265    -14.86195728
  H     14.72358979     13.26257970    -14.04449747
  O     12.73855023     10.69558941    -11.35158080
  H     18.77128048      9.73982715    -13.25142333
  H     14.65404926     14.65312324    -14.71675809
  O     14.77813289     13.72475609    -14.89938162
  H     18.04008263      8.55922434    -12.58041804
  H     12.08874149     10.31649963    -18.70032902
  O     12.67081542      9.98514853    -18.02164179
  H     16.57282699      9.94560842    -17.30140079
  H     12.75367535     10.68667384    -17.35321276
          69
 Energy    -248.79050633632127     
  O     17.00408917     13.09519677    -15.38271024
  H     16.91588944     14.04452276    -15.36894231
  H     17.21442215      4.92596230    -13.29874810
  O     14.75095244      6.59772474    -14.27465922
  H     16.27457255     12.74160592    -14.84343484
  H     18.81334046     10.56003868    -17.32314334
  O     18.83065979      7.57519311    -11.94175655
  H     15.24678253      6.36536911    -13.47998017
  H     20.30613214     10.45737584    -17.71089337
  O     17.75060285      6.12431006    -18.06507905
  H     14.14870562      7.32186581    -14.04093948
  H     16.07112932      7.64457610    -14.95131331
  O     15.09131545      7.09418038    -18.71006239
  H     19.38369073      7.12367420    -12.58915838
  H     17.48574325      7.92429426    -15.59304869
  O     15.40745533      7.95422164    -10.01950180
  H     18.51313631      8.39409238    -12.35564124
  H     14.99014604     11.50560868    -13.19395905
  O     13.32839055      8.81252723    -13.61244555
  H     17.51410392      5.30514414    -17.60967768
  H     14.28824058     11.66291370    -14.56159292
  O     17.74772612      9.74661940    -13.17402218
  H     16.92105670      6.50709350    -18.37291330
  H     13.88406427     10.26860739    -16.36719694
  O     16.95172759      3.86727232    -16.51857250
  H     14.65407341      6.82224284    -19.51246365
  H     12.50369037     10.96500387    -16.32444309
  O     19.17701480      7.53222556    -16.24924669
  H     14.81014041      6.47286671    -18.01258974
  H     19.81307576      6.70324271    -14.85744955
  O     14.53756230      5.34983626    -16.73205942
  H     16.31602196      8.04168754     -9.68211489
  H     20.98122348      5.92677817    -14.20347474
  O     17.74964799      4.56704746    -14.01535028
  H     14.84699438      7.78658511     -9.26600307
  H     15.89046135      6.62165436    -11.35048616
  O     19.66490468     10.15871609    -17.07102347
  H     13.94970842      9.26320704    -13.02443093
  H     17.24864284      6.62086025    -12.05287461
  O     16.67947070      8.33258049    -15.25425089
  H     13.16162046      9.42154712    -14.34107348
  H     18.45552152      7.90721153    -10.20707859
  O     14.93353046     12.07303333    -13.97191345
  H     18.32887905     10.42345949    -13.54662585
  H     18.65981112      8.75172572     -8.93821678
  O     13.23065760     10.68027644    -15.77693503
  H     17.32282478      9.29769632    -13.92093156
  H     16.52130187     10.75533242    -17.60017224
  O     20.08418818      6.21636966    -14.05907143
  H     17.10368612      2.93154756    -16.62100614
  H     17.13448454     11.99334619    -16.90334648
  O     16.38720059      6.17980273    -12.04901200
  H     17.21483869      4.09311627    -15.60905489
  H     16.17627736      9.99598839    -12.32678633
  O     18.05400392      8.14387436     -9.35500573
  H     19.40033705      8.41991295    -16.55758375
  H     15.24263625      9.42672434    -11.23821042
  O     17.29084515     11.33852253    -17.59624957
  H     18.76801152      7.04091880    -16.97972242
  H     19.51943949     11.10229565    -15.36411148
  O     15.27715591     10.05417249    -11.96929673
  H     14.48916369      5.75196123    -15.85263029
  H     18.55246107     12.17329830    -14.82155413
  O     19.25334807     11.56119802    -14.55867115
  H     15.27187238      4.72535606    -16.68611828
  H     15.73817200      9.14343213    -16.50981314
  O     15.20542908      9.47660137    -17.24978295
  H     18.58737217      5.04591275    -13.99226084
  H     15.10630164      8.73422403    -17.85850754
          69
 Energy    -248.79048170401921     
  O      9.80903249      6.92987416    -10.80911114
  H      9.90119593      6.49231034    -11.67562624
  H     16.75177694      5.02632181    -10.95923283
  O     14.36873026      3.49508493     -8.97363813
  H      8.88171522      7.12057334    -10.69497303
  H     14.99156863      5.50860392    -14.39437995
  O     16.42551025      8.28151872    -14.07870067
  H     14.22447088      4.31761188     -8.49046644
  H     15.17160459      7.04942732    -14.37490755
  O     17.95639040      6.47624026    -11.04146540
  H     15.07506964      3.67001852     -9.60928198
  H     13.06564176      4.99381118    -12.00486677
  O     12.55217846     11.25261857    -12.07019963
  H     16.35652066      8.39686684    -13.12073878
  H     14.02781900      5.97461815    -12.72008942
  O     13.50478360      5.95757799     -7.73146892
  H     16.22356952      9.13557725    -14.48015283
  H     11.28109577      4.39766240     -9.30811153
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  H     10.69503982      5.81321703     -9.56975130
  O     13.82101648      2.51943209    -14.19858648
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  H     15.79893958     11.37179697    -15.70252635
  O     15.42410871     11.09315219    -12.11884560
  H     12.27396837     10.36861925    -11.77595424
  H     14.62164532     10.65600115    -14.99593449
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  H     11.96994992     11.87938847    -11.64852983
  H     13.90230618      6.84181645    -10.62025627
  O     16.12388867      4.04550983    -13.86559993
  H     12.62788413      5.74841494     -8.10486350
  H     13.94363720      7.13016560     -9.10024018
  O     16.06459924      4.35352566    -11.04609278
  H     13.38468858      6.07393778     -6.79295570
  H     16.04001189      9.54681926    -11.46606995
  O     14.50804334      6.34380142    -14.39955530
  H     12.91081237      7.25322111    -14.31242786
  H     15.49100770      8.27953082    -10.75586393
  O     13.75558621      5.65114352    -11.85070803
  H     12.15867469      8.02136756    -13.18001917
  H     12.70389033     10.81654589    -13.92364621
  O     11.18301120      5.28022928     -8.93095252
  H     13.84217487      1.97824697    -14.98429895
  H     12.56726904      9.51058755    -14.72545976
  O     15.58662941     10.79024737    -14.97802339
  H     14.67808493      2.97119943    -14.16437298
  H     11.71184195      1.85339709     -9.53563256
  O     14.03957472      7.54676800     -9.96428271
  H     14.47307850     11.22189678    -12.01641983
  H     12.84611431      2.90428858     -9.58604531
  O     16.23393284      8.61672875    -11.27549627
  H     15.58661596     11.13053610    -13.06952838
  H     11.16325762      8.16471484    -11.12436673
  O     12.91385279     10.41078181    -14.77433293
  H     17.65301870      6.81967916    -14.15915083
  H     12.66760090      8.37069371    -10.80117651
  O     11.95469855      2.69252329     -9.91771944
  H     18.22036118      6.07132685    -12.95704827
  H     10.81128075      6.41462267    -13.70189577
  O     11.94255353      8.68297959    -11.36069494
  H     16.12548874      3.95694704    -12.90262028
  H     10.77883979      4.99481555    -13.07469166
  O     10.25844862      5.80038620    -13.20267434
  H     16.88259979      4.61502676    -14.05972391
  H     11.90006944      3.20226893    -11.69269818
  O     11.94594638      3.67710918    -12.53233073
  H     15.24723945      4.81924743    -11.28360541
  H     12.54761690      3.20052955    -13.12328598
          69
 Energy    -248.79040160588619     
  O     -0.03872437     -7.36732057     -4.20509563
  H     -0.07060314     -7.44828376     -3.24383389
  H      0.42812055     -7.21798165     -0.36358129
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  H      0.77099081     -7.81315952     -4.47963210
  H      3.47412506     -7.58998572      3.49583400
  O      0.54097899     -7.19679106      4.18814636
  H      0.87317984     -4.56507907     -3.63962705
  H      3.60835181     -6.61363146      4.67713800
  O      1.33722618     -4.63400434     -1.91001008
  H      0.30876851     -5.58882493     -4.63429593
  H      1.38215542     -2.99783554     -4.98770736
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  H      0.05045978     -7.77827138      4.76252194
  H      2.80885414     -2.48155879     -5.26671296
  O      3.86588343     -5.80231969     -2.20058879
  H      1.48586216     -7.37404782      4.34667642
  H      0.59152670     -6.99119085      2.31251524
  O      3.36994176     -5.59372165     -4.96084178
  H      2.22142340     -5.02311370     -1.97062081
  H      1.00998359     -5.80913853      1.40569922
  O      2.82209938     -8.41939998     -2.08113976
  H      1.43856300     -3.81500659     -1.41191000
  H      2.09708398     -1.70445669     -1.19375043
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  H      1.61435800     -3.37517753      0.99842132
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  H      2.57928417     -4.30583848      1.76381537
  H      3.88359150     -8.17912556      1.11694747
  O      4.64458254     -3.15370952     -5.33675981
  H      3.83708689     -5.70038961     -3.16140823
  H      2.63801240     -7.30082148      1.47006995
  O      0.44465307     -7.19537791     -1.32946567
  H      3.65615474     -6.72698027     -2.01934175
  H      4.45561052     -4.46330164     -1.11085201
  O      3.23921418     -7.46916597      4.42686871
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  H      4.68875568     -3.98852061      0.34534319
  O      1.92717037     -2.20009351     -4.99481287
  H      3.90532697     -4.82551673     -5.19669204
  H      3.77762950     -9.21920986     -0.80203210
  O      0.84309020     -6.76339375      1.40866834
  H      1.95792718     -8.08475083     -1.79869945
  H      4.36854633    -10.44638397     -0.08268585
  O      2.11344331     -2.37292852     -0.49786846
  H      2.79842458     -8.50510902     -3.04206317
  H      4.10785540     -1.49373519     -2.76921316
  O      3.58067713     -7.42679541      1.64269067
  H      2.10578944     -1.21662860     -3.55373940
  H      4.95738722     -2.55952476     -2.04468170
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  H      2.11940243      0.19440067     -2.92126844
  H      1.26095823     -4.15344978      3.48001150
  O      4.26914329     -9.50060933     -0.01316812
  H      2.99446452     -7.35469632     -5.00759187
  H      0.88486626     -5.29940324      4.43461898
  O      4.88149598     -2.06221673     -2.86894676
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  H      4.38892927     -4.69488678      2.93584550
  O      1.28397909     -4.42123955      4.40949090
  H      5.31648113     -2.79585069     -5.91071144
  H      4.20578703     -5.75005765      1.81232230
  O      4.34611255     -4.80468051      1.97804089
  H      4.80914496     -2.78656996     -4.44928857
  H      3.01316162     -4.53536511      4.73500310
  O      3.97092557     -4.70688680      4.78312442
  H      0.61882601     -6.26778138     -1.54890791
  H      4.30411082     -4.20517850      5.52200977
          69
 Energy    -248.79018467891865     
  O     16.29657580      5.23739409    -12.92453661
  H     15.62807724      4.98002563    -12.27695896
  H     14.93942718     11.33817519    -15.04622069
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  H     17.16291404      5.24528978    -12.49821872
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  O     12.08897606      8.43707594    -13.73950220
  H     18.87890041     11.83497438    -15.60903688
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  H     15.73183168      7.29367004    -10.05983781
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  H     12.48009501      8.20614878    -14.59549644
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  H     11.67361616      9.29823421    -13.86779573
  H     19.10882576      6.12151667    -12.80746119
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  H     17.84619522      8.40622748    -10.35794952
  H     19.62382820      5.13942595    -11.72782989
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  H     13.70629228      3.97675663    -10.84032137
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  H     16.52127109      5.32055474    -16.05997930
  H     13.05122091      6.80663787    -16.25409912
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  H     15.16996294     10.45622665    -11.08421118
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  H     14.12853125      4.88431310    -15.83681902
  H     15.43382479     11.73231688    -11.86598584
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  H     12.83823456      4.24706659    -16.40886587
  H     11.78394840     10.95801706    -15.33525575
  O     15.77650955     11.20647368    -11.13629728
  H     18.10365898      6.71971390    -17.56338623
  H     10.61628135     11.63864702    -14.57909674
  O     11.39736477     11.10748457    -14.45276050
  H     17.09682173      7.35803750    -16.58000044
  H     14.16658982      8.43593146    -11.15980463
  O     14.00150230      9.09752205    -11.85251628
  H     16.27596672     11.42889515    -15.82661492
  H     13.26968447      8.79607752    -12.40787391
          69
 Energy    -248.78934231542638     
  O     -0.20130592     -2.42747207      6.01665899
  H     -1.02419971     -1.95761531      6.18367418
  H     -4.29299093     -1.97644383      3.21584686
  O     -1.74705158     -3.94582274      3.15677131
  H     -0.02483251     -2.30595217      5.07020132
  H      3.11746673     -3.55956220      2.67560437
  O      1.69512082     -6.13196055      3.90188915
  H     -2.45000117     -3.30528131      3.31959767
  H      2.55383079     -4.50735174      3.76578734
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  H     -0.93388772     -3.41620034      3.11580496
  H      1.72125615      0.39468334      3.15492964
  O      2.09317532      0.64302183      4.96368855
  H      1.97984738     -6.97219464      4.25105861
  H      0.59119439      0.87120468      2.21763150
  O     -0.98002151      1.87463742      2.32744669
  H      0.93001777     -5.85234232      4.43527012
  H     -1.95642948     -0.08949238      5.67112276
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  H     -5.14182380     -1.07399989      0.73372868
  H     -2.97849781     -0.39147693      6.79162908
  O     -1.06876678     -2.15318272     -0.34840508
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  H     -0.31639154     -4.34557778      5.76533971
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  H     -0.90411158      1.40465898      4.16291508
  O     -4.07201092     -3.98245771      0.09612800
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  H      1.67442909     -2.12756534      6.13344020
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  O     -0.77126962      1.00994959      5.03343073
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  H     -1.73635378     -0.99236858      0.88500725
  H      1.86903912     -4.96648775      0.91559240
  O     -1.39873110     -4.75619699      0.59158760
  H     -2.54428729     -0.87338326      2.21961123
  H     -6.41350972     -2.99924182      1.99171177
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  H     -5.03283104     -3.14803722      1.31507667
  O     -5.55673266     -2.58772369      1.91704667
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  H      1.61223148     -0.80586123      0.77268903
  O      1.64826314     -1.48634186      0.08783659
  H     -3.36619507     -1.44997851      4.41013294
  H      0.73359426     -1.68812578     -0.14931364
          69
 Energy    -248.78921022498645     
  O     -0.73359251      3.73980886     -3.68378795
  H     -1.36387513      4.27111205     -3.16400403
  H     -3.42740994      0.09009938      2.21811675
  O     -0.93705324      3.00151351      0.12590330
  H     -0.81771896      4.02176703     -4.59061665
  H      0.95718627      3.76546592     -2.73746980
  O      2.10211936      1.28259547     -1.09619297
  H     -0.75227345      3.92133763     -0.10034391
  H      1.89661564      2.87784353     -1.86872813
  O     -0.36245562     -0.06298695      2.92946278
  H     -1.12994778      2.51344029     -0.68475724
  H     -0.88863172      0.76971513     -2.19085282
  O     -1.70839251      4.35438416      4.19182380
  H      1.91806726      1.38817670     -0.15346290
  H     -1.19804952      2.16667276     -2.84107358
  O      2.31261862      5.55578504     -0.27271162
  H      1.54642188      0.55165892     -1.39033969
  H     -0.65530517     -1.01503627      1.32493651
  O     -2.40225246      5.12691387     -2.05164697
  H     -1.29216190      0.20789768      2.92033255
  H     -1.95104873     -1.23580615      0.51462509
  O      0.82278668      3.55471557      4.89831561
  H     -0.05209745      0.08463121      3.83120428
  H     -3.97274908      3.79179017      0.55942747
  O     -2.33939149      1.78913276      5.38356729
  H     -1.47130750      5.16060933      3.71946722
  H     -5.23670292      4.39135505     -0.09487433
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  H     -0.85547510      4.02379588      4.51832903
  H     -2.57286724      3.67508777      2.74218605
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  H     -2.20250692      3.13733960      1.32661619
  O     -3.07370956      0.68467981      2.89052393
  H      3.03328739      6.11295570     -0.55270864
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  H      1.35509724      3.73445475      4.11544667
  H     -4.50505210     -1.47480669      0.48725960
  O     -4.40501119      3.96724490     -0.29325703
  H      0.83953013      2.60246604      5.05239070
  H     -4.26274780      2.13000549     -0.85818786
  O     -2.94200319      3.28857232      1.93737112
  H     -2.31085099      2.71845452      5.12618520
  H     -3.17686252      1.28439811     -1.55012020
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  H     -2.74184861      1.32143482      4.63887308
  H      0.38090634      2.22099119      0.97597594
  O     -3.80957328     -0.84623931      0.66024556
  H      2.09256596      4.78422998      1.45805975
  H      0.69541860      1.13209889      2.02485900
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  H      1.58521588      3.44850631      2.03757396
  H     -0.70591611      1.14335238      5.58435677
  O      1.10254297      1.82433840      1.49052650
  H     -0.61098102      6.04914674      0.78733766
  H      0.40650069      0.41476548      6.37556197
  O      0.21076383      0.81618102      5.53307217
  H      0.45946310      5.82464688     -0.29518623
  H      0.09919465      7.00665244      3.05351157
  O     -0.28509010      6.24303531      2.62845730
  H     -3.12195790      1.57763960      2.51956121
  H      0.41882776      5.57293860      2.57648551
          69
 Ord_Energy   -248.789185    
 O   -4.03864145      -3.28367090       1.91573191    
 H   -4.66655827      -3.30640960       1.18413544    
 H   -3.93181658      -2.35176110       2.14780593    
 O   -5.25120020       1.28414667       1.71645641    
 H   -5.61973000       1.70950806       2.48609090    
 H   -4.58307409      0.652980208       2.03740954    
 O   -3.76168847       1.86692631     -0.633749485    
 H   -3.28278613       1.02038085     -0.599935591    
 H   -4.27301073       1.91305149      0.181509003    
 O   0.631720960       2.04721284      -1.32972419    
 H  -0.215321660       2.33775902      -1.70606720    
 H    1.14797473       2.83528209      -1.17937386    
 O   -3.95168853     -0.999493778      -3.93463707    
 H   -3.06858706     -0.598840773      -3.90838075    
 H   -4.32236004     -0.743418097      -4.79048300    
 O   -2.13509798       1.58540273      -6.54959297    
 H   -2.44433641       2.35456777      -6.03714085    
 H   -1.63735211       1.92478371      -7.28814220    
 O    1.31131756      -2.26546717      -1.50691366    
 H   0.517696977      -2.82005310      -1.39120436    
 H    2.06398034      -2.84805131      -1.45672810    
 O   -1.43100524      -4.01729059       1.75942504    
 H   -1.27855766      -4.80404949       2.27683163    
 H   -2.38446116      -3.82788301       1.81828892    
 O   -1.57584727      0.348729342      -4.09230900    
 H   -1.63052559      0.693196356      -4.99330521    
 H  -0.655152321      0.116380222      -3.90298200    
 O  -0.726562262      -1.36015213       2.67371488    
 H  -0.295882583     -0.941816807       1.91648114    
 H  -0.848066926      -2.28472328       2.42326260    
 O   -2.51480985     -0.527136445     -0.435760409    
 H   -2.76188517      -1.31726265     -0.930849731    
 H   -1.56177354     -0.539700031     -0.277103186    
 O   0.200795054     -0.315197676      0.178682819    
 H   0.673476636     -0.984637201     -0.334322453    
 H   0.393580586      0.539516807     -0.226498589    
 O   -5.77323818       2.53652573      -4.67620564    
 H   -5.77387571       1.97224033      -3.88496590    
 H   -6.63269091       2.94797397      -4.72065401    
 O   -6.46816492     -0.486900836     -0.221495524    
 H   -6.16926575      0.111371681      0.472666889    
 H   -6.29098272      -3.88048217E-02  -1.05874407    
 O   -3.31656170     -0.563674331       2.21366215    
 H   -2.45946765     -0.738604546       2.62693286    
 H   -3.12827587     -0.593314171       1.26276493    
 O   -3.41382051      -2.74725437      -1.87048864    
 H   -3.65622139      -2.26854515      -2.67610383    
 H   -4.22984266      -2.95640635      -1.39867449    
 O   -5.50062466      0.845100105      -2.53279734    
 H   -4.98792601      0.153156251      -2.97615409    
 H   -4.90977859       1.28012002      -1.90128791    
 O   -1.82801080       2.59646559      -2.47485757    
 H   -2.51907420       2.48600197      -1.80731666    
 H   -1.80437958       1.78654718      -3.00945520    
 O   0.988107622      -7.24833682E-02  -3.27584028    
 H    1.04363871      0.662955940      -2.65383148    
 H    1.14288127     -0.873280704      -2.75826812    
 O   -3.09509516       3.51085353      -4.89008856    
 H   -4.02865791       3.28791714      -4.77883101    
 H   -2.67709565       3.39932036      -4.02736092    
 O   -4.71829891      0.327578068      -6.23797035    
 H   -3.85797215      0.670297623      -6.51130724    
 H   -5.17938757       1.08314490      -5.85364056    
 O   -5.75572157      -3.09574676     -0.343663603    
 H   -6.53027153      -3.62384748     -0.518470824    
 H   -6.05472708      -2.17124581     -0.278179824    
 O  -0.913742185      -3.67047691      -1.00385511    
 H   -1.07002079      -3.83423162      -6.49634898E-02
 H   -1.77443480      -3.47380853      -1.39547062    
          69
 Energy    -248.78874320974577     
  O     15.49961124      8.35858342    -16.36107639
  H     14.62001975      8.59234231    -16.04755961
  H     19.30752243      5.64601131    -10.42680955
  O     16.30835373      5.12574220    -11.23248218
  H     16.00309221      8.13516911    -15.56242699
  H     18.77752130      8.02497400    -17.57250626
  O     17.08322706     13.89415051    -13.08505355
  H     16.23274328      4.92318423    -12.17752514
  H     20.01796742      8.73100484    -18.17502927
  O     19.59774704      8.24649820    -14.68701841
  H     15.47421175      5.54859691    -11.00203983
  H     17.84150782      7.78724749    -14.28467964
  O     17.56518468     11.34076835     -9.64327795
  H     17.00108149     14.65378633    -13.65554684
  H     16.74000609      6.70264299    -14.00990730
  O     15.55181907      8.68730037    -11.98343809
  H     17.07015567     13.10944862    -13.66014138
  H     12.35169618      9.41983327    -15.09675311
  O     17.06951009     11.50044410    -14.43091890
  H     19.62753859      8.50435483    -15.61671858
  H     13.62167684      9.75770007    -14.29042715
  O     19.50696503      5.62264009    -13.84528711
  H     19.59833765      9.04669242    -14.14380304
  H     17.10335053      8.79390888    -11.12191935
  O     13.90552876      6.69086535    -11.10220351
  H     17.65844074     11.33355529     -8.69336045
  H     18.37444510      7.96045406    -10.81603440
  O     18.00387349      4.57372174    -15.87618690
  H     17.77154287     10.44235791     -9.94750908
  H     13.53775268      6.36195364    -12.98555744
  O     16.00154533      5.00651760    -13.96014657
  H     15.16883484      9.50694389    -12.31775792
  H     13.41915801      7.21424651    -14.26117635
  O     18.79487152      6.15130063    -11.05337588
  H     16.01841676      8.28357193    -12.73366360
  H     18.58133907     13.27403972    -12.05176520
  O     19.41066110      8.75477611    -17.44082031
  H     17.75831546     11.03289411    -13.94074879
  H     18.71426442     12.36122517    -10.82210893
  O     16.90694232      7.65181030    -14.08732148
  H     17.14031319     11.24076643    -15.36103390
  H     19.34359331     11.17336599    -12.52608392
  O     13.20287315      9.07390348    -14.83784401
  H     19.29153686      5.72699312    -12.91233209
  H     18.79208986      9.76246932    -12.21341687
  O     18.01179276      8.85419934    -10.78788662
  H     19.73330976      6.51147097    -14.15715837
  H     16.05600715     12.11018089    -10.61664401
  O     13.58330006      6.31728391    -13.94926076
  H     13.31403433      6.98717249    -10.41530123
  H     15.92017301     13.12727759    -11.75940747
  O     19.20660547     12.71422947    -11.57422057
  H     14.45893765      7.45349929    -11.34521843
  H     17.65629608      6.02269249    -17.04567700
  O     19.12962809     10.31895976    -12.92761350
  H     18.38205552      3.75564455    -16.18834381
  H     16.70913823      7.22506651    -17.30681065
  O     15.41300996     12.51326664    -11.21178639
  H     18.57504924      4.88734943    -15.15168385
  H     14.66880180     11.50820415    -12.52810797
  O     17.53450974      6.81020954    -17.59008630
  H     16.45574671      4.72025653    -14.75950786
  H     15.41514031     11.08075326    -13.80418231
  O     14.60219322     10.92626430    -13.29957749
  H     15.12226399      5.35754675    -14.17015981
  H     16.53650148      9.82428859    -16.87418673
  O     17.20920663     10.51521156    -16.95222081
  H     17.90076705      5.76274604    -11.05887362
  H     18.02113246     10.05713643    -17.19880645
          69
 Energy    -248.78806625522151     
  O      0.58467902     -0.22684547      5.72732635
  H      1.05593190     -0.06848175      6.54091785
  H     -6.05496572     -2.73763704      3.39650214
  O      3.09500974     -0.07810544     -1.70088484
  H     -0.01791931      0.52842366      5.59889802
  H     -2.66459356      4.30190236      0.35694044
  O     -1.44421369     -2.15532646      5.24843645
  H      3.01431172     -1.03240181     -1.58330193
  H     -2.38489648      2.81287950      0.04384904
  O      0.52568684      0.60298828     -0.76752686
  H      2.19761435      0.26603136     -1.59150163
  H     -2.95026265     -1.28518146      4.84283604
  O      2.62155850     -2.78007171     -0.79823686
  H     -1.15170271     -2.54129044      4.41580586
  H     -3.82429954      0.02766087      4.81482132
  O      3.65297210     -1.74474010      1.49692253
  H     -0.73913762     -1.55362861      5.52063107
  H      0.18167410      2.16526059      2.22901819
  O     -4.41077900      2.14792067      2.48901839
  H      0.89389195      0.89920135      0.07577033
  H     -1.20601646      2.86022593      1.94706768
  O     -3.12319368     -3.47562114      1.47693258
  H      0.29416286     -0.32834439     -0.64254129
  H     -2.49803752      0.72080820     -0.99460425
  O     -1.10846590      1.81802204      5.26676329
  H      3.01246814     -2.48476998      0.04387634
  H     -1.11417559      1.35895591     -1.11090408
  O      4.24610555      0.90699460      0.56115952
  H      3.05985438     -3.59268244     -1.03668152
  H     -2.61744658     -0.25312132      2.95888299
  O     -5.16242816     -0.15955131      1.07456770
  H      3.01002975     -1.59855058      2.20311459
  H     -1.53533546      0.73164810      2.41392183
  O     -5.33350609     -2.37189421      2.89167058
  H      4.00174976     -0.87295837      1.27352314
  H     -0.19761980     -2.35838300      0.58721523
  O     -2.49850353      3.45680755      0.76575811
  H     -3.82540369      2.63929164      1.90296202
  H      0.81106446     -2.43367854     -0.58234537
  O     -3.69815561     -0.84121915      4.41520060
  H     -4.73228074      1.38722342      1.98415383
  H      0.84485404     -1.72029338      2.96236650
  O     -0.68989753      2.36540462      2.59599146
  H     -3.12375502     -2.83634170      0.75534898
  H      1.29693543     -0.78881236      4.11675201
  O     -2.05932687      1.56934522     -1.11403302
  H     -3.91235017     -3.26387142      1.99190371
  H     -4.14399526      2.01158468      4.18222610
  O     -1.93050599     -0.13873568      2.28996249
  H     -0.91182151      2.13715006      4.37386428
  H     -4.59253860      2.34334811      5.62681061
  O     -0.06205662     -2.10206794     -0.33330718
  H     -2.06722825      1.86639171      5.35103545
  H      2.60224126      1.30179774      1.37982701
  O      1.52336759     -1.08473088      3.22508990
  H      5.04832161      1.39674373      0.40305255
  H      1.61506716      0.46131638      2.22763898
  O     -3.95881925      1.83881208      5.12475459
  H      3.92083966      0.60811239     -0.30718715
  H     -1.06160778     -1.65355738      2.43877992
  O      1.68975255      1.26462472      1.69226261
  H     -5.37009637     -0.91666402      1.63657801
  H     -1.48016876     -3.10989221      2.17236448
  O     -0.72086557     -2.56541041      2.43006152
  H     -4.52203666     -0.48787220      0.43441237
  H     -1.91547960     -1.49671062     -0.52031288
  O     -2.73087330     -1.09404584     -0.19664497
  H     -4.79796078     -1.84067802      3.50764671
  H     -2.49832703     -0.69168330      0.65812990
          69
 Energy    -248.78795011796086     
  O     12.42298514      9.86341626    -15.03989276
  H     12.76632386     10.63203302    -14.56969745
  H     20.81922589      7.94742079    -14.45865741
  O     16.54507364      5.67348883    -13.11688871
  H     12.01614524      9.29311515    -14.37589705
  H     16.77172752     10.98562356    -14.94989548
  O     17.36279020      9.65378004    -11.14306502
  H     17.26292453      6.09287177    -12.62332912
  H     15.62404032     10.57435568    -15.89843012
  O     14.08464857      5.96596134    -16.07182794
  H     15.77292183      5.61108740    -12.53628580
  H     16.08308636      7.33316129    -13.77259311
  O     14.55031402      7.78145616     -8.56262501
  H     16.44413767      9.80473915    -11.41170957
  H     16.69495094      8.74816464    -14.04236438
  O     14.33145723      5.65792913    -11.50192217
  H     17.33995380      9.52486688    -10.18674377
  H     11.68800881      7.22136645    -13.40034822
  O     14.79694905      9.91983488    -12.13755549
  H     14.18381770      6.88061505    -16.35593087
  H     10.32983155      7.91365362    -13.13850238
  O     16.84604152      8.53619901    -17.91778580
  H     14.96806525      5.57897128    -16.08157511
  H     18.22107186      6.48515887    -10.14333327
  O     15.44818195      5.08500481     -8.99566606
  H     14.73496207      6.83459938     -8.59282109
  H     17.69371236      7.20759080     -8.89178911
  O     18.42663075      6.99587510    -16.22964262
  H     13.92701162      7.95331779     -9.28048375
  H     13.07141219      5.78789159    -14.58184124
  O     16.69453871      4.81632532    -15.69110239
  H     14.64658041      5.32659509    -10.65166395
  H     13.15488366      5.52660956    -13.05044306
  O     19.89773099      7.96096278    -14.21602804
  H     13.91715527      6.51425148    -11.32402397
  H     17.94424024     10.09873319    -12.90322739
  O     15.97731342     11.31346643    -15.39200660
  H     15.05200435      9.29994735    -12.83931381
  H     18.78586695      9.45834736    -14.04024481
  O     15.87332176      8.23904166    -14.02488503
  H     14.45345855     10.70932372    -12.57303475
  H     19.10073864      7.37454478    -12.61569858
  O     11.27244790      8.05691597    -13.11539196
  H     16.77689361      8.97220362    -18.76352415
  H     18.09656348      8.02560616    -11.62971440
  O     17.85051867      6.33087458     -9.26518809
  H     15.98009665      8.63678903    -17.49348331
  H     16.08821869      8.60188140     -8.46526881
  O     12.55832393      5.78750209    -13.76046312
  H     15.51536128      4.33269092     -8.41418982
  H     17.11102963      9.39632296     -7.61813682
  O     18.03348578     10.03810923    -13.86429271
  H     16.34671976      5.44811298     -9.09335554
  H     15.04547387      8.54525533    -15.53176199
  O     18.50816054      7.18475365    -11.87774713
  H     17.88937101      6.20162087    -16.12712152
  H     13.74376880      9.19404165    -16.05363915
  O     16.99995483      8.94592389     -8.45103414
  H     17.95784040      7.55578183    -16.86393665
  H     13.69166553      8.82057256    -11.28718967
  O     14.59414898      8.83236922    -16.34317705
  H     16.81690728      3.87335762    -15.76817413
  H     12.35090255      8.11999571    -11.56728309
  O     13.09793929      8.12968952    -10.95670629
  H     16.65337971      5.01864013    -14.73982133
  H     14.66354799     11.85837943    -14.36736320
  O     13.90897946     11.99791030    -13.76681016
  H     19.40180380      7.58336125    -14.96703483
  H     13.73416331     12.93473421    -13.75486595
          69
 Energy    -248.78794425582197     
  O     10.96444679     11.63102382     -9.66806333
  H     11.08265990     11.74209782    -10.62748592
  H     15.82904035     13.72546570    -14.38545144
  O     14.11569329      9.24858206    -14.86531078
  H     10.10966194     11.99513142     -9.45189016
  H     16.25201530      9.25255532     -8.94848791
  O     11.03046675      8.74180455    -10.25959289
  H     14.81512434      9.66534248    -14.34368839
  H     16.13574315      8.52505496    -10.30231287
  O     13.60851954      6.77506320    -13.60716597
  H     14.02975565      8.34252492    -14.54263266
  H     14.42087764      7.38748443    -12.03463664
  O     13.63453611     11.67892860     -8.82958845
  H     11.71660782      8.35742477     -9.69367523
  H     14.31743472      8.76165928    -11.33094889
  O     14.00780172     11.42929640    -16.69248846
  H     10.93485054      9.65369951     -9.97356112
  H     14.86264904     15.24479303    -12.51048174
  O     11.24327656      7.77821798    -12.84476166
  H     13.52644655      5.87407046    -13.90608061
  H     13.42028801     14.74240939    -12.70006906
  O     13.21498659      7.74713714     -8.84926042
  H     12.72130836      7.05858050    -13.31355679
  H     17.57701123     10.18266429    -10.76700836
  O     13.92141886     10.56808044    -11.40129019
  H     12.68143945     11.69336491     -8.99352091
  H     18.92392802     10.53403107    -11.43909447
  O     17.16261701     13.49213438    -11.13147909
  H     13.99323470     12.54433763     -9.07045170
  H     12.16232875     13.35136388    -14.79497175
  O     11.56812815     11.76515443    -12.32817463
  H     14.08987863     10.57288352    -16.25256330
  H     13.61206562     13.39148793    -14.27198605
  O     15.32652841     12.98227072    -14.73940018
  H     14.57141020     12.03352263    -16.19005032
  H     14.40032005     14.44932494    -10.49190071
  O     16.72650403      9.07543428     -9.76883353
  H     11.06975475      8.52646413    -13.42720717
  H     14.86712293     14.83606979     -9.07230294
  O     14.69024216      7.87125421    -11.24631527
  H     11.11122154      8.08808746    -11.93595610
  H     15.20313724     10.72723856    -12.58285666
  O     14.02099913     15.12866609    -12.05088963
  H     13.77618014      8.29573838     -8.29118059
  H     16.73051373     10.68675259    -12.77811401
  O     18.00812758     10.79482274    -11.39086504
  H     13.73162418      7.59283338     -9.65226069
  H     12.37298760     12.01455280    -16.53075798
  O     12.69981931     13.62507842    -14.04215229
  H     13.09242965     10.89865208    -11.76765064
  H     11.02346096     12.55589538    -17.06431952
  O     14.73506390     14.08883086     -9.65154966
  H     13.95457351     10.87685680    -10.48850251
  H     15.07751003      9.81059371     -6.63761297
  O     15.89771008     10.72462068    -13.26083869
  H     16.40854352     13.54320205    -10.53362844
  H     14.50077658     10.41158659     -7.94021154
  O     11.48429242     12.31599525    -16.26526475
  H     17.45091569     12.57128382    -11.15479797
  H     17.28144812     15.67212693    -13.43702114
  O     14.99280723      9.65684135     -7.57513747
  H     11.37377089     11.09754797    -13.00069950
  H     16.88625299     14.47839135    -12.53142886
  O     16.60023369     15.02250594    -13.28814930
  H     11.95189909     12.51237663    -12.80636308
  H     12.35513932      9.80079030    -14.62439523
  O     11.43598747     10.08128174    -14.50131760
  H     15.58652175     12.20295253    -14.22544548
  H     11.27618041     10.77342870    -15.15382070
          69
 Energy    -248.78776789664221     
  O     13.68862646      5.68494231     -9.12785352
  H     14.13947951      5.18344649     -9.82088871
  H     12.57232289      9.62847748    -14.51444850
  O     14.80649973      8.60230978    -16.65647910
  H     14.36280940      6.26163250     -8.74910230
  H     17.52915009      9.62286975    -12.63289776
  O     18.03791806      7.27728178    -14.67370086
  H     14.30681405      9.04574317    -15.94844255
  H     17.73005826      8.18176770    -13.17080461
  O     10.89770604      9.11102759    -14.28707191
  H     14.32082845      8.74368940    -17.46503391
  H     14.38253627      8.75079020    -11.54247830
  O     16.80882228      2.69749876    -12.43430925
  H     17.19493284      6.86100827    -14.90702115
  H     15.66196040      8.58104733    -12.41343271
  O     11.31619493      6.95150942    -12.66921108
  H     18.69030031      6.57242929    -14.58679389
  H     10.92264001      7.23054941     -9.26994898
  O     17.22776079      6.59619841    -10.56838875
  H     10.98354909      8.32961420    -13.71379202
  H     12.33263981      6.68004071     -9.58928914
  O     13.47918495     11.75312609    -10.69478623
  H      9.98069125      9.15141159    -14.54227704
  H     20.54192348      4.77745305    -14.39676369
  O     17.11130575      3.81011223    -14.89298586
  H     16.77881340      1.74697095    -12.49729971
  H     19.44173145      4.89192503    -13.31243418
  O     17.40553139     11.24118510    -13.59532891
  H     16.85523443      3.03989568    -13.34520675
  H     14.30462478      5.41806060    -12.54906302
  O     14.65644180     11.95415330    -13.15940615
  H     12.12094669      6.48491729    -12.93036206
  H     14.15697731      6.90353661    -12.93843823
  O     13.52752087      9.78122544    -14.56711064
  H     11.38481133      7.08627060    -11.71695219
  H     16.47663132      9.44471948    -16.23071022
  O     17.47089602      8.69142685    -12.38741888
  H     17.38364103      7.34962889    -11.15484231
  H     17.73663495      8.89618800    -15.55035920
  O     14.69984268      8.50189455    -12.41927536
  H     16.79311251      6.95054703     -9.78263346
  H     15.28827573      6.90978381    -15.94036315
  O     11.67226241      7.34847519     -9.84773821
  H     13.90942238     11.86112258    -11.56003032
  H     14.95248796      6.04919607    -14.69285492
  O     19.63634588      5.03854326    -14.25598975
  H     12.92985480     12.52354886    -10.57932312
  H     18.40749139      5.26452229    -11.20913558
  O     13.91883165      6.00366959    -13.21359355
  H     16.54326821      4.52817002    -15.19998283
  H     18.22584494      3.85209196    -11.81017120
  O     17.31600290      9.71715703    -15.84158385
  H     18.00388737      4.17416932    -14.84079313
  H     15.95255211      5.33614402    -11.03064929
  O     15.59515589      6.16572088    -15.40825456
  H     18.07257671     11.91677883    -13.68728581
  H     15.72246913      3.89386675    -11.55863631
  O     18.86295007      4.56938876    -11.70152459
  H     17.36344092     10.77275811    -14.44882609
  H     15.03807104      8.30693831     -8.96067415
  O     15.27283143      4.66638889    -11.19511996
  H     14.20074855     11.34893799    -13.75926975
  H     15.88224814      8.12084336     -7.67854851
  O     15.64943396      7.70316088     -8.50382556
  H     15.59756360     11.77749868    -13.27332013
  H     12.96125399      8.70710367     -9.86239605
  O     13.80003051      9.18626641     -9.87069803
  H     13.92755340      9.35063855    -13.79650320
  H     13.63638197     10.11701900    -10.08740540
          69
 Ord_Energy   -248.787598    
 O   -4.88977766       1.52585673       3.33195615    
 H   -4.55069828      0.734582722       2.88621593    
 H   -4.11941576       2.07081866       3.55438900    
 O   -4.21292496     -0.895339668       2.18268657    
 H   -4.82324839     -0.900457978       1.43278909    
 H   -4.57306051      -1.50854254       2.83371377    
 O   -4.49055481      -2.39699984      -1.60460174    
 H   -4.56875134      -2.67102385      -2.51492429    
 H   -3.70171094      -1.83036709      -1.55118203    
 O   -6.17353010      -1.02925539      0.186878413    
 H   -5.69306660      -1.47041142     -0.526847720    
 H   -6.62561321      -1.71980584      0.689129651    
 O   -2.54040098       2.80535054       3.88562059    
 H   -1.92061269       2.20298100       4.31232929    
 H   -2.17444730       2.96295834       3.00335503    
 O   -1.48431492       2.77580285      -2.52621150    
 H   -1.92150378       3.26663685      -3.21731377    
 H   -2.17506385       2.50345039      -1.89898920    
 O    6.65646493E-02  0.419740885       2.18168759    
 H  -0.501280785     -0.309359729       1.88725138    
 H   -8.16704184E-02  0.526305795       3.12951803    
 O    1.61159146       1.00170636      -4.13546115E-02
 H    2.52686739      0.767053187       9.24125612E-02
 H    1.14582169      0.775121093      0.780134916    
 O   -7.02769136      -3.15670466       1.84789932    
 H   -6.60630798      -2.95289493       2.69988585    
 H   -7.83963537      -3.61661458       2.04560876    
 O   0.414397717       3.58483171     -0.527747571    
 H  -0.145820618       3.43279862      -1.29967284    
 H   0.950535059       2.78735948     -0.429787964    
 O   -4.62289429      -4.23307943      0.619210899    
 H   -4.52540731      -3.69050860     -0.172714338    
 H   -5.47312069      -3.98709846       1.00038397    
 O   -5.48972845      -3.72874998E-02   5.47873831    
 H   -5.95336342      0.420370400       6.17486572    
 H   -5.36438370      0.602700233       4.75611973    
 O   -4.89881895E-02  0.305262834      -2.28649330    
 H   0.573824346      0.480670363      -1.57021999    
 H  -0.438670099       1.15994620      -2.51323509    
 O   -2.38649035     -0.701007068      -1.30487132    
 H   -1.54178751     -0.507359266      -1.73610795    
 H   -2.74726057      0.152278602      -1.02225757    
 O  -0.708705485      0.773697674       4.85987949    
 H   -1.40890610      0.141256690       5.09960079    
 H  -0.189277068      0.915541410       5.64737606    
 O   -5.61715794      -2.47641850       4.10399103    
 H   -4.86865091      -2.98402691       4.44705248    
 H   -5.70512295      -1.68284857       4.64912701    
 O   -5.70145273       1.75660384      0.565806746    
 H   -5.59763718       1.84026003       1.52174246    
 H   -6.04596186      0.868892848      0.402577341    
 O   -2.72365999     -0.912547946       5.53460598    
 H   -2.80172205      -1.85759389       5.35699415    
 H   -3.62382770     -0.575980067       5.60711479    
 O   -1.38516808       2.68751454       1.35727632    
 H  -0.913033187       1.89802432       1.65430295    
 H  -0.773212552       3.17534041      0.788445532    
 O   -1.68977153      -1.46474183       1.28397977    
 H   -2.54330826      -1.24578571       1.68968666    
 H   -1.80793452      -1.30751777      0.338546753    
 O   -3.22244549      -3.64933705       4.89717007    
 H   -2.96449327      -4.40747404       5.41355133    
 H   -2.89863396      -3.80183744       3.98934650    
 O   -3.19377708       1.84851372     -0.556448519    
 H   -2.61986780       2.14509916      0.165004328    
 H   -4.10576963       1.89086962     -0.237964794    
 O   -2.46869850      -3.95613503       2.35398459    
 H   -2.00911808      -3.20074344       1.96774030    
 H   -3.19798470      -4.15688181       1.74911964    
          69
 Energy    -248.78756729070352     
  O     11.73698447     10.56134587    -14.83639755
  H     11.41015042     10.05221782    -14.08555380
  H     18.83840944      8.25480691    -13.92196430
  O     17.36816047     10.48573260    -12.00892996
  H     12.11964314      9.92562317    -15.45715132
  H     16.20213303     11.52631151    -15.93799263
  O     17.40303266     10.73344785    -14.83142569
  H     16.43243529     10.71646401    -12.09789021
  H     14.75992611     12.06924721    -15.88686946
  O     12.87732110      6.01596869    -15.95051144
  H     17.46207974     10.11450545    -11.12166260
  H     15.92157230      9.48203974    -14.74376664
  O     14.82595711      8.85956155     -8.68429169
  H     17.52200825     10.80252598    -13.87562450
  H     14.47533466      9.00564101    -15.12718872
  O     14.15817314      6.68355921    -11.52330995
  H     18.11221903     10.17043126    -15.16886044
  H     11.66911020      9.15114774    -11.92352586
  O     14.66703473     10.87686976    -12.57735588
  H     12.55669228      6.17142860    -15.04177715
  H     10.13066647      9.11406732    -12.06268298
  O     17.12224401      7.74143172    -17.10966527
  H     12.36047015      5.30024393    -16.30884828
  H     17.46733182      7.26861999     -9.83200093
  O     14.77630093      6.00780320     -8.85074880
  H     14.16688385      9.12177936     -9.33913260
  H     17.16696822      6.12271086    -10.82314256
  O     19.19036966      8.78791642    -15.72586824
  H     14.72474453      7.90448939     -8.58152989
  H     12.81579651      6.50096928    -12.77281860
  O     15.59514972      6.30453288    -15.21347006
  H     15.02474183      6.55629913    -11.93362774
  H     11.61148616      7.35741158    -13.21171873
  O     18.50334586      8.07447589    -13.03609912
  H     14.22974426      6.34904265    -10.62072317
  H     16.35636240      5.89721120    -13.52067617
  O     15.42799885     11.71907563    -16.48702194
  H     14.31421924     11.59015942    -13.12205228
  H     17.34578688      6.80765418    -12.76879144
  O     15.16964428      8.94702286    -14.45614438
  H     14.78066119     10.11980049    -13.17530346
  H     17.93328493      9.50224232     -8.74673970
  O     10.94213541      9.03046704    -12.55753105
  H     16.47648589      8.33307300    -17.51306009
  H     16.49207065      9.15449627     -9.18222561
  O     17.25103832      6.32998877     -9.88239407
  H     16.62744819      7.12441688    -16.55404927
  H     15.27611588     10.41333931    -17.61281952
  O     12.11856992      6.57013542    -13.43954517
  H     14.69741859      5.25764154     -8.26870950
  H     15.19487940      9.89179605    -19.06799033
  O     16.66459264      6.12743174    -12.63662254
  H     15.70599789      6.04266157     -9.14447679
  H     13.68445606      9.90410999    -11.45107497
  O     17.41171989      9.21919072     -9.49434876
  H     18.50304294      8.36759913    -16.27404003
  H     13.56317266      8.36953089    -11.19583716
  O     15.18653610      9.60924378    -18.15731875
  H     20.01549693      8.69337971    -16.19289895
  H     12.81405314     11.89023883    -14.64506973
  O     13.17751240      9.23116892    -10.97299103
  H     14.71595249      6.04109106    -15.50925495
  H     13.07676146     13.41076496    -14.50777729
  O     13.51008775     12.56173729    -14.51923419
  H     15.49373190      7.19165225    -14.83131754
  H     13.76301248      8.97692451    -17.15513756
  O     13.16225624      8.77096547    -16.42716322
  H     18.15300382      8.90868707    -12.69921888
  H     13.03299531      7.81413057    -16.39820354
          69
 Energy    -248.78679227439187     
  O     16.72178314     12.27862486    -13.33457095
  H     16.87339496     11.44395688    -12.87323228
  H     17.05529675     10.64176625    -17.03917843
  O     13.10480955      7.74227900    -13.81921667
  H     15.95503834     12.67209013    -12.89906860
  H     14.89218815     10.03044452    -15.04975674
  O     17.15404239      7.00562242    -11.80981986
  H     12.65410189      8.15517684    -13.07352257
  H     15.84840124      8.77984077    -15.02145843
  O     17.14276241      7.69422533    -15.78949587
  H     13.83544578      8.33783013    -14.05259471
  H     13.71042932     12.89428586    -12.74062756
  O     14.18568138     11.33783011    -16.14877613
  H     16.41679909      6.59548596    -12.28485137
  H     14.07403136     13.98190651    -11.70060281
  O     14.44460570      8.60252227     -8.77542684
  H     16.99171976      6.86648507    -10.86843166
  H     14.90967466      5.65819921     -9.98438533
  O     12.09560853      9.07057234    -11.57949917
  H     17.88201824      7.68385152    -15.16503454
  H     14.38267801      5.36421670    -11.40283303
  O     16.52909799      9.72039468    -12.16465720
  H     17.28565470      8.38654825    -16.45103392
  H     11.04851728     10.10295699    -12.64892282
  O     13.51520621      7.14056568    -16.55512193
  H     14.10602450     10.72506669    -16.89139117
  H      9.99432341     10.12916480    -13.76472904
  O     12.17604591      7.05841046     -9.62982269
  H     15.03867038     11.78754982    -16.22703336
  H     18.46187623      7.28946252    -13.03842367
  O     15.68872306      5.40975912    -15.84115259
  H     13.60917083      8.14271747     -8.92410966
  H     19.70776434      8.09508548    -13.44105537
  O     17.04750252      9.79677205    -17.50576137
  H     14.41617450      9.38917435     -9.33577655
  H     14.25981681      6.46058189    -13.29869362
  O     15.22460914      9.30728837    -14.50500606
  H     12.84493818      9.62587694    -11.31906078
  H     15.24054110      5.49781147    -13.99262913
  O     14.32542445     13.11874290    -12.01679737
  H     12.00377774      8.38611843    -10.90552301
  H     16.75296424      6.48136558     -8.33237765
  O     14.12855975      5.36709554    -10.47076250
  H     16.04584247      9.62388871    -13.00213118
  H     15.70989122      7.42030760     -8.98359526
  O     10.62544390     10.67808395    -13.30535461
  H     16.84131938      8.83566208    -11.94587529
  H     13.98307109      8.51886356    -17.54100554
  O     19.02190551      7.53241028    -13.79287872
  H     14.17608787      6.44970477    -16.42505497
  H     13.84603808      9.20320864    -18.91854651
  O     14.97227766      5.82658392    -13.12709204
  H     13.15869093      7.31848541    -15.67489295
  H     14.24027521     11.50021331    -11.06142093
  O     16.32568518      6.68609547     -9.15956146
  H     12.81234820      6.39822274     -9.95835546
  H     15.11408506     10.24058511    -11.20118537
  O     14.25776021      9.29325209    -18.06303145
  H     11.52028648      6.58283340     -9.12728007
  H     17.25323935     13.08081663    -16.32924166
  O     14.31017874     10.58036373    -10.78018457
  H     16.14928016      4.72128073    -16.31337549
  H     16.83277424     12.27769796    -15.07852728
  O     16.81562911     12.27999165    -16.05239916
  H     16.25894310      6.19948292    -15.86852621
  H     11.92927492     11.84666969    -13.82183278
  O     12.69731705     12.40237478    -14.01195037
  H     16.14046444      9.65695420    -17.80741284
  H     13.11375988     12.05038858    -14.80824137
          69
 Energy    -248.78661558181130     
  O     10.02800882     11.05539073    -10.85892221
  H     10.13682988     10.29791637    -11.46480062
  H     10.30972957     12.26381613    -18.00980497
  O     14.57022204     10.43767997    -13.07085004
  H      9.20083690     10.92770903    -10.40280333
  H     14.45649934     13.45799288    -13.43148797
  O     17.47655364     12.50166601    -13.40762682
  H     15.42904008     10.42812872    -12.63087332
  H     14.50718751     14.33951279    -14.70436891
  O     14.94971790      6.68260882    -12.56617654
  H     14.13982186     11.26871282    -12.83237597
  H     18.37184952     11.20243983    -16.54338525
  O     10.80043359     12.55004524    -13.13399380
  H     17.72050583     12.00980247    -14.20152536
  H     16.89617969     11.23861299    -16.08595638
  O     13.35336688     15.39835581    -15.71174821
  H     16.70464346     13.02819007    -13.65168994
  H     17.51513231      8.18166932    -14.05817567
  O     15.19748059     11.73914833    -16.28312491
  H     14.87449453      6.69491959    -13.52783200
  H     17.55291742      9.17393738    -15.25191507
  O     13.35826160     12.74804537    -12.13918916
  H     15.82213175      7.04613901    -12.37080019
  H     14.47330788     11.16241913     -9.49791118
  O     13.74845863      9.51952065    -15.46673226
  H     10.93515480     11.82951367    -13.76890058
  H     15.47710383     11.97928477     -8.67049335
  O     17.51913015      7.97534165    -12.19074926
  H     10.40423242     12.16185905    -12.34490615
  H     12.06317272     10.14031294    -15.23214235
  O     12.76660474     10.81760758    -10.08439881
  H     12.44944489     15.11227347    -15.48689838
  H     10.97604607     11.07339251    -15.81418127
  O     10.80648689     12.32617676    -17.19829861
  H     13.32500782     16.34581282    -15.81402962
  H     15.86498740      7.43873099    -15.36542906
  O     14.98279204     13.65327977    -14.21896578
  H     14.67131381     10.94663299    -16.10362290
  H     15.10248223      6.28136600    -16.05663935
  O     17.79243993     10.97045890    -15.82132556
  H     15.09386377     12.34088294    -15.53067386
  H     13.37816388     14.10236118    -17.14398834
  O     17.33924002      8.26704819    -15.00412202
  H     13.27244813     12.24313296    -11.32182644
  H     14.01725591     12.72231411    -17.36279131
  O     15.41397562     11.37717936     -9.40832590
  H     12.46827219     12.79003987    -12.51931363
  H     10.68448498      9.44494909    -13.53577197
  O     11.20664108     10.54686237    -15.03829347
  H     14.08426978      9.81480701    -14.60344997
  H     11.41575395      8.75851634    -12.35278580
  O     14.99077273      7.01668869    -15.46022966
  H     14.05600354      8.61217645    -15.57759639
  H     17.21106206     11.30740646    -12.11559912
  O     13.30418499     13.29688835    -17.67062233
  H     18.22283498      7.64122530    -11.64031098
  H     16.47658348     10.87649033    -10.78468406
  O     10.55860462      9.10177156    -12.64289037
  H     17.35121315      8.88968936    -11.90460728
  H     10.70262650     13.77815015    -15.92950875
  O     16.92030302     10.55260166    -11.58090898
  H     11.81999859     10.98491695    -10.16369491
  H     10.75876445     13.90395363    -14.40036807
  O     10.87886714     14.40585803    -15.21773131
  H     12.90930399      9.94933854    -10.49116342
  H     13.60037557      9.22365794    -12.18959128
  O     13.13573467      8.54902445    -11.67238337
  H     11.70142765     12.62564669    -17.43927836
  H     13.64708473      7.74381658    -11.82695520
          69
 Energy    -248.78643693300228     
  O     13.40053563     12.62776824    -14.70179638
  H     14.12969246     13.12113916    -15.09758704
  H     15.40880267      7.26213699    -15.59067683
  O     17.94415385      7.00667151    -13.55424694
  H     13.59249219     11.69037059    -14.83120421
  H     17.24942184     10.84742803    -14.16392321
  O     18.80583538     11.20863180    -10.93014785
  H     18.22837477      7.44100928    -14.36752117
  H     18.62080305     11.52985737    -14.33375241
  O     17.04960169     14.28940816    -13.33643581
  H     17.11726140      6.56029355    -13.77376042
  H     16.46709984      9.98006338    -12.33632497
  O     15.37728775      5.94457068    -14.30229992
  H     18.21492366     11.56528182    -10.25625834
  H     15.83579911     11.41564499    -12.34879980
  O     14.90862286     10.05044409     -9.09797685
  H     18.49869994     10.30647679    -11.09513128
  H     16.96097009      8.32719813    -10.85978843
  O     14.15608776      6.88279629    -12.10589754
  H     17.88711219     13.81212860    -13.37150008
  H     17.75285918      8.13505735    -12.18623370
  O     12.82968825     13.27543975    -12.14843711
  H     16.63614779     14.22224993    -14.20652152
  H     11.41812577      8.78994365    -13.16137193
  O     15.39340379      9.85294153    -18.25011073
  H     14.92016828      6.26707904    -13.50394696
  H     12.85551116      9.25615543    -13.49192614
  O     15.63448119      7.58591150     -9.79572339
  H     15.19235729      5.01158415    -14.36566575
  H     14.60110590     13.20598812    -11.64118685
  O     18.33797956      8.52077037    -15.93268090
  H     15.54381016     10.77258876     -9.05439743
  H     16.05461022     13.57171110    -12.10259778
  O     15.57150331      8.03325644    -16.14948295
  H     14.15082045     10.36321920     -9.61540726
  H     20.31229785     12.98933237    -13.04167986
  O     17.99009910     10.95101608    -14.77902524
  H     14.62496383      7.10808866    -11.29292018
  H     19.22778296     12.15434851    -12.32100711
  O     16.00177311     10.62909652    -12.88173083
  H     13.47044399      7.54924883    -12.23218638
  H     16.80382522     12.93274337     -8.56351076
  O     17.53046182      8.77683291    -11.49565326
  H     12.97745323     13.05803519    -13.08676412
  H     16.30489062     12.59438110     -9.98858380
  O     12.28531970      8.91248201    -12.78319686
  H     12.19480691     13.98574915    -12.12528739
  H     17.22497786     11.61954568    -16.33333983
  O     15.53673886     13.04476786    -11.47361112
  H     15.36399439      9.13156888    -17.60390085
  H     16.28069568     11.29743447    -17.52494336
  O     19.42280680     12.65923113    -13.13219810
  H     14.62597781      9.73761230    -18.80566424
  H     12.72811621     11.65844859    -11.15992261
  O     16.76956794     12.23391776     -9.21169170
  H     15.34039042      8.46512187     -9.49079309
  H     12.57718740     10.14141755    -11.37020296
  O     16.73975011     12.01513056    -17.06910614
  H     15.75180956      7.04855989     -9.01753277
  H     15.50407925     14.82435863    -16.36907442
  O     12.80191958     10.80859275    -10.71065986
  H     18.93455617      8.58636168    -16.67386229
  H     16.00573150     13.36190741    -16.31719464
  O     15.60217363     14.07412766    -15.78861399
  H     18.30193986      9.40089010    -15.51988870
  H     14.51522266      9.27256274    -15.22194671
  O     14.07004580      9.87748269    -14.61845322
  H     16.52531096      8.19027756    -16.10984448
  H     14.73436240     10.14046781    -13.95949795
          69
 Energy    -248.78625854019862     
  O     17.37997542     10.47452444     -9.49813210
  H     17.76515114     10.87021543     -8.70627733
  H     12.03537986      8.10280995     -5.08231905
  O     18.34535046     11.32786991     -6.99261583
  H     18.00192043      9.82124191     -9.85208663
  H     17.33532286      6.11588745    -12.22412695
  O     12.51416830      7.17913391     -8.01516284
  H     18.94311488     12.03615715     -6.76809780
  H     17.91085324      7.08249717    -13.28172886
  O     15.18784956     10.61587973    -11.22193753
  H     18.79297583     10.49337967     -6.75928479
  H     14.39935953      7.13600916    -10.44996847
  O     18.85598743      8.42003797    -10.58667199
  H     13.25505251      6.79014326     -8.49616490
  H     15.10045465      7.43501629     -9.10747800
  O     20.48274878      7.45556482     -8.48164108
  H     12.05224275      7.72063136     -8.66753757
  H     19.43686417      9.11097793    -14.00385818
  O     17.37073279      6.05148193    -10.34499917
  H     15.97347599     10.65954821    -10.66086644
  H     17.98544027      9.26205756    -13.48535564
  O     11.52603462      8.72815666    -10.19844736
  H     14.44539090     10.93871401    -10.68901842
  H     15.95462940     10.29023604    -12.89221913
  O     15.98590327     10.96706166     -5.37978301
  H     18.30929132      7.62508780    -10.50767258
  H     15.81577477      9.16633765    -13.94233390
  O     13.04627780     11.11162339     -9.57248633
  H     18.96772966      8.58750150    -11.53101567
  H     15.01396320      9.32369537     -7.76068396
  O     13.80894698     10.47861008     -6.94909264
  H     20.07205387      7.84425797     -9.26588079
  H     16.29535034      9.34922000     -8.63509959
  O     12.87409732      8.17082766     -5.53174451
  H     19.97634031      6.65564916     -8.29761705
  H     19.91926781      8.49554001     -7.09216875
  O     17.26591165      6.37596386    -13.15197529
  H     17.79144094      5.68673124     -9.55709188
  H     18.64654250      8.33809487     -6.24706212
  O     14.77271307      6.71084714     -9.66587922
  H     16.43627131      6.17941687    -10.12654425
  H     15.31053921      8.15575990     -3.39794222
  O     18.82254175      8.78093328    -13.35424765
  H     10.71965487      8.71438239    -10.70822234
  H     14.53496007      8.18026833     -4.73219839
  O     16.37549335      9.90403588    -13.67254055
  H     12.24999711      8.53494061    -10.81872863
  H     14.05662107      7.93744983    -12.58995205
  O     15.70805916      8.76756722     -8.13455701
  H     16.79716402     11.08742468     -5.88930217
  H     14.28677959      9.07318534    -11.55037421
  O     19.38906851      8.93160511     -6.40943584
  H     16.02202781     10.08687359     -4.99014889
  H     18.67134650      4.57879036     -7.37941818
  O     15.42186703      8.23589836     -4.34265444
  H     13.28162722     11.02293572     -8.63861829
  H     18.00922719      5.97015294     -7.26346106
  O     13.76118096      8.28036388    -11.73766296
  H     12.40411592     10.41324760     -9.74202768
  H     16.65562958      7.74971216     -7.02288307
  O     18.51990844      5.39203958     -7.85464050
  H     13.34050896      9.81575662     -6.43011478
  H     16.61419136      7.39710173     -5.53157366
  O     17.10521079      7.22407089     -6.34279776
  H     14.52352965     10.81999089     -6.38868650
  H     14.70485426      6.99214917    -14.91042565
  O     14.95176073      7.42053621    -14.09567965
  H     12.75364104      7.75156591     -6.40335576
  H     15.75462215      6.97182992    -13.77348632
          69
 Energy    -248.78600535784534     
  O     -8.15450197     -2.47470483      5.43126781
  H     -8.76432161     -1.74741786      5.26452426
  H     -6.94549718      0.39004825      4.09790341
  O     -9.92457056     -2.13491648      2.04575391
  H     -7.34778236     -2.09816026      5.80273291
  H     -5.02339899     -1.42003157      5.58432965
  O     -8.04227257     -3.98236393      3.19184590
  H     -9.36585069     -2.85199147      2.36886815
  H     -5.11919647     -1.83528556      7.07400471
  O     -5.50988657      1.07597687      0.29407449
  H    -10.12309275     -1.59189090      2.81823642
  H     -0.98948873      3.10536412      1.79880809
  O     -6.65884508      1.07283560      5.80653079
  H     -8.08768144     -3.52176405      4.04993865
  H     -2.32370613      3.67293511      2.34393957
  O     -5.30484440      5.44898392      1.28509889
  H     -8.18447484     -4.90857969      3.36639707
  H     -9.71866461      4.93619650      4.47869397
  O     -4.15221791     -1.29824093      4.09830716
  H     -5.60650489      0.17635558     -0.04203595
  H     -8.60296536      4.10175705      3.81257327
  O     -4.06445046      3.46602391     -0.08191738
  H     -6.40199589      1.38776000      0.49690974
  H    -10.48405950      1.21627682      3.06411872
  O     -9.79883304     -0.32867159      4.24808443
  H     -5.99776416      1.70775407      5.49794642
  H    -10.29299912      2.73992182      3.14206399
  O     -6.15425451     -1.58480304     -0.41810437
  H     -6.20972573      0.29129296      6.15262032
  H     -6.66929110     -2.95541564      2.51742943
  O     -3.83418115      1.06856000      2.58096410
  H     -4.88659221      4.76770867      0.72771779
  H     -6.00976393     -2.14796114      1.35083690
  O     -7.24176034      0.08291894      3.23185304
  H     -5.37345538      6.23694000      0.75268442
  H     -9.19452619     -1.29977211      0.62738352
  O     -5.61168095     -1.43726208      6.36136867
  H     -3.91324322     -0.47970442      3.64573383
  H     -8.68214450      0.10133426      0.22755571
  O     -1.93483016      2.98722874      1.77166309
  H     -4.67879672     -1.79665863      3.45688652
  H     -9.43801079      2.56824699      5.54078722
  O     -9.44481049      4.04141857      4.29154032
  H     -3.24274865      3.28866691      0.39269144
  H     -8.42128294      1.53983616      6.06729844
  O    -10.46032437      2.01513877      2.52585793
  H     -4.54468458      2.62775217     -0.10556098
  H     -3.85897861      4.20069767      3.85770176
  O     -6.00821041     -2.28319491      2.30633891
  H     -8.93932755     -0.23541019      3.80798278
  H     -3.96058449      5.17604553      2.67418348
  O     -8.69280491     -0.81925868     -0.04909523
  H     -9.80839009      0.34190545      4.94888847
  H     -4.65799377      2.17876554      3.77213692
  O     -9.36998383      1.72189613      5.99760728
  H     -7.10403253     -1.36698625     -0.35865610
  H     -5.82389103      3.20186811      3.86992262
  O     -3.33118612      4.77273191      3.28449585
  H     -6.02874742     -2.06851119     -1.22958496
  H     -8.97914051      1.91736979      1.53172069
  O     -5.08583296      2.81657665      4.36295884
  H     -4.42408749      1.01152834      1.81725724
  H     -7.72114931      1.12133928      1.94836120
  O     -8.06286824      1.73463418      1.27291659
  H     -3.07688124      1.60249964      2.30910817
  H     -7.42040532      3.23199339      2.16793101
  O     -7.12398201      3.93480837      2.76174645
  H     -6.77089666     -0.72624236      2.99815943
  H     -6.57020900      4.53483970      2.24465010
          69
 Energy    -248.78547416936544     
  O     15.53626402      9.96719866    -16.68792067
  H     16.12047891     10.71976093    -16.50138824
  H     17.64829756      5.88518410    -16.71371382
  O     17.05935188      4.90045254    -13.44904307
  H     14.71812801     10.08636998    -16.19378019
  H     20.07397571      5.98361701    -12.12710373
  O     16.67800637     13.44571587    -10.70308857
  H     17.84672957      5.34562986    -13.11663576
  H     18.99984196      7.08598473    -12.07165580
  O     19.18010066      9.88455628    -14.90554915
  H     17.07749164      5.01615370    -14.41106873
  H     16.37037175      8.80676392    -15.56665705
  O     14.58135716      6.12417452    -17.52082733
  H     16.00872826     12.86788213    -10.31598306
  H     16.93741566      7.37427935    -15.32024647
  O     17.42889098     10.11768974     -9.16718671
  H     16.66573959     13.23755950    -11.64789936
  H     13.27409988      8.91766628    -15.02180051
  O     15.72836079      8.07444618    -12.49131001
  H     19.26292155     10.25009203    -14.01421970
  H     12.35214921     10.12411524    -15.31983131
  O     16.68353345     12.16931182    -13.21069032
  H     18.39705982      9.31206439    -14.89266057
  H     17.92232591      8.83460162    -10.32856439
  O     20.14813176      7.32619613    -15.30647148
  H     15.13918419      6.80182486    -17.94541808
  H     17.23126456      8.19189426    -11.55653544
  O     14.50743278      5.61615849    -12.94449335
  H     14.13586265      5.65423855    -18.22043784
  H     13.79179734      6.81091665    -15.95176229
  O     18.89445640      6.83835033    -17.67001363
  H     18.03704970     10.85943373     -9.27678129
  H     13.76973713      6.61550045    -14.41674516
  O     16.95185442      5.62344906    -16.09664982
  H     16.55129578     10.47090916     -9.35741138
  H     19.64621866     12.97531632     -9.53102777
  O     19.38260273      6.39771005    -12.63987963
  H     15.23125272      7.24842233    -12.49024819
  H     18.24463122     12.85510520    -10.17716630
  O     16.87710865      8.26181203    -14.94849615
  H     16.13802236      8.15082957    -13.36889985
  H     18.68706259      9.89843324    -11.90554340
  O     13.22281358      9.89118813    -15.00716781
  H     17.45253447     11.66014113    -12.91614217
  H     19.15051960     11.32581611    -11.52598229
  O     18.09373671      8.32945323    -11.13696383
  H     15.90756211     11.61782734    -13.04692050
  H     14.66748207     11.06345777    -10.84371084
  O     13.46583540      7.19235902    -15.12700873
  H     20.02841483      8.28158321    -15.20220026
  H     14.08512205     11.32071375     -9.43843421
  O     19.05356763     12.36037873     -9.95388015
  H     19.91767668      6.94533041    -14.45191033
  H     13.95929719     10.42511447    -13.35586433
  O     18.94418961     10.75433429    -12.27554732
  H     15.41271131      5.28695878    -13.09597282
  H     14.91836472      9.63321664    -12.44743432
  O     14.89785598     11.32891641     -9.93865324
  H     14.05462277      4.95105614    -12.43356793
  H     18.13362421     11.28993565    -15.76221240
  O     14.49329641     10.49864524    -12.55612420
  H     19.39540059      7.02004028    -16.85466550
  H     17.07762530     12.14072270    -15.05014100
  O     17.35606494     11.83893752    -15.92554848
  H     19.53657765      6.59627232    -18.33223974
  H     17.21728328      7.76426339    -18.25702146
  O     16.30146681      7.97515405    -18.47046039
  H     16.11633560      5.65084347    -16.57956855
  H     16.06614667      8.77064231    -17.97042640
          69
 Energy    -248.78517083901636     
  O     15.26076432     11.35262504    -15.74777483
  H     15.10478395     10.51631914    -16.20039079
  H     15.71232570      5.19991483    -15.24657003
  O     15.63344378      6.18492827    -13.66998634
  H     15.17740804     11.16820841    -14.80161714
  H     18.65404098      4.97670759    -12.44416539
  O     19.15965848      8.40972409    -12.08212996
  H     16.23285714      6.08404773    -12.91779819
  H     19.97752653      5.26298824    -13.16906001
  O     18.44066305      7.26197784    -18.44638872
  H     14.96674483      6.84046102    -13.42190363
  H     16.79338633      9.65156513    -17.90221425
  O     15.69253892      6.31681341    -18.33081395
  H     18.85210269      9.11314955    -12.67228303
  H     17.91435384     10.62967004    -17.53879637
  O     15.63748829     10.86663571    -10.26056581
  H     19.83823909      7.93040097    -12.57334675
  H     17.95402140      7.38803478    -15.51687334
  O     13.94511429      8.29537096    -13.07901276
  H     18.31860000      8.22267146    -18.43260099
  H     16.68842840      7.28653582    -14.61252768
  O     18.12392051     10.15521991    -13.95515590
  H     17.55697448      6.88583159    -18.53050063
  H     16.45568655     10.46378322    -13.28243121
  O     18.56125397      3.79639801    -15.49731812
  H     15.76810298      5.75083987    -17.54058177
  H     15.51447130     10.81436810    -12.10249733
  O     14.22622684      8.35684336    -10.28102768
  H     15.23883659      5.80360459    -18.99374772
  H     15.46024038      7.34534524     -9.59006512
  O     19.42402365      6.42002720    -16.07963721
  H     16.44651547     10.35952499    -10.06643783
  H     15.96768557      6.43245541     -8.44631536
  O     15.97304919      4.81624478    -16.09476392
  H     15.60847783     11.58888670     -9.63913442
  H     13.63182276      8.53358985    -16.13265202
  O     19.32064883      4.57307371    -13.01642596
  H     13.40618804      8.33598214    -13.88047684
  H     12.21613607      9.11650602    -16.01888927
  O     17.68138128      9.92707579    -18.15611288
  H     14.50165366      9.08785987    -13.08373769
  H     21.78160467      6.98883079    -13.97037135
  O     17.22138376      7.89360743    -15.14373796
  H     18.23353442     10.83072239    -14.63437480
  H     20.40167818      6.80257107    -14.63929893
  O     15.52709116     10.59108576    -13.04164759
  H     17.82850966      9.34972909    -14.41249341
  H     17.07986338      6.29310675    -10.76764374
  O     16.24215883      6.87901803     -9.24218156
  H     18.79283516      3.97919514    -14.56897115
  H     18.02794675      6.97518416    -11.79077058
  O     12.82535397      8.51351737    -15.59771071
  H     18.92424667      2.94024628    -15.70798256
  H     17.36521620      8.43387949     -9.45653241
  O     20.85151833      6.89132262    -13.78138402
  H     14.55151495      9.26265133    -10.20871802
  H     18.37543891      9.01773917    -10.46831012
  O     17.50072628      6.17985717    -11.62875450
  H     13.97943817      8.23830314    -11.20800385
  H     18.06272341     12.88037298    -16.28569983
  O     17.76771951      9.25828668     -9.75738471
  H     19.20893790      6.70445345    -16.98207425
  H     16.93509603     11.85551070    -16.01627194
  O     17.89945008     11.95735072    -16.11053315
  H     19.16006490      5.49504084    -15.99311608
  H     15.30213536      7.94204605    -17.55572109
  O     15.30399242      8.69689584    -16.95081674
  H     16.81225213      4.36969764    -15.93022931
  H     15.98287210      8.48546620    -16.28975586
          69
 Energy    -248.78462708223759     
  O     15.63172659      9.98294443    -16.53906978
  H     14.83038179     10.24501141    -16.07180079
  H     20.46209562     10.08629451    -17.90157837
  O     14.75712779      6.00719515    -13.05102656
  H     16.14107711      9.42267229    -15.93077741
  H     18.04005664      8.47900448    -14.77829652
  O     18.19215977     13.98549979    -11.82670261
  H     14.45755217      5.17803438    -12.68708788
  H     16.73579551      8.47866167    -13.90936034
  O     19.87433949      8.54539749    -14.81649803
  H     15.32569814      5.79094345    -13.80916442
  H     13.26070787      9.49870582    -14.82770230
  O     14.23495206      6.52963659    -17.01262837
  H     18.82460335     13.40585881    -11.36392742
  H     12.50826113     10.82662775    -15.08897299
  O     17.67138389     11.02060642     -8.98039697
  H     18.53826066     14.87160081    -11.77306926
  H     17.93019388      9.44985844    -10.00392664
  O     15.93042283      8.45950678    -12.29456946
  H     20.13648637      7.61455692    -14.84767485
  H     18.64527660      9.20897252    -11.34626737
  O     17.68323361     12.02914687    -13.78041505
  H     19.98281144      8.91543358    -15.70153824
  H     13.43499997      7.37104926    -15.60913121
  O     20.38717083      5.84339368    -14.98119747
  H     14.95894682      6.15074943    -16.49678678
  H     13.57411569      7.22710644    -14.08341318
  O     18.53422687      4.99443247    -16.91444135
  H     14.65631941      7.07121978    -17.68955104
  H     19.17764705     11.75032672     -9.92781026
  O     16.36770080      5.77837158    -15.28413896
  H     17.42017537     11.12892733     -8.06731938
  H     19.87545449     11.45135409    -11.26901271
  O     19.77814050      9.66356671    -17.38931824
  H     17.02949308     11.52736780     -9.50915635
  H     18.87277250     10.82378908    -13.05569341
  O     17.07828362      8.40053858    -14.81063797
  H     15.52883990      7.58552932    -12.34223803
  H     19.80205693      9.62485470    -13.34635847
  O     13.37416938     10.46269544    -14.92731882
  H     16.65634476      8.45362586    -11.65041506
  H     15.64140605     12.03670502    -11.33995560
  O     18.07309323      8.78606391    -10.69014459
  H     17.85730907     12.80246508    -13.22918169
  H     16.66518520     13.13790803    -10.99559272
  O     13.19143608      7.78490285    -14.76723375
  H     16.81215645     11.69346216    -13.52569095
  H     18.79771353      8.14254180    -17.94452501
  O     19.75585158     12.13750022    -10.59755593
  H     19.78731420      5.46992978    -15.64348685
  H     17.39729861      7.67799669    -18.41563385
  O     19.50815994     10.22008343    -12.64511609
  H     20.47716021      5.18053510    -14.29996950
  H     14.53083919     10.96953591    -13.53686991
  O     16.05568320     12.50187775    -10.60102979
  H     18.59542970      4.30698377    -17.57191003
  H     15.42030215     10.13364814    -12.58820454
  O     18.27135849      7.36203974    -18.15535624
  H     18.45779351      5.83928236    -17.39732776
  H     17.99173249     11.76734190    -15.58504231
  O     15.22621170     11.03984697    -12.87329676
  H     17.06819898      5.35002329    -15.78768619
  H     17.12337016     11.09832801    -16.65553029
  O     17.99702551     11.48406354    -16.50938661
  H     16.63882921      6.70451408    -15.17863153
  H     15.34909267      8.79085530    -19.49893320
  O     15.67529441      8.35420962    -18.71623048
  H     19.16482361     10.36546886    -17.10393832
  H     15.61712848      8.99843947    -17.98893671
          69
 Energy    -248.78433606805964     
  O     -1.17850596      4.73536177      2.40518144
  H     -1.93689305      4.23330376      2.07475857
  H      0.83252111      1.78976084      2.09195642
  O     -3.46871346      5.73555289     -0.44565742
  H     -0.52764162      4.77066757      1.68590489
  H     -0.81409857      3.95923772     -2.42198109
  O      4.57904029      6.44802527     -0.34743260
  H     -3.34846467      4.97581086      0.14162666
  H      0.29749407      2.98433794     -2.88926049
  O      2.44178791      6.99645028      1.27102363
  H     -4.06250998      5.41559335     -1.13938738
  H      0.70110246      8.06094679     -1.09476848
  O     -1.00927105      5.52709035     -1.68816626
  H      3.83377385      6.73969039      0.20697531
  H      0.09086930      6.99301229     -2.01091032
  O      2.45195094      2.75982431     -0.16451215
  H      5.17640739      7.18850250     -0.41626959
  H     -3.61652842      1.19617169     -2.36254283
  O      0.73091453      4.92279511      0.36441828
  H      1.72301717      7.64298772      1.26060333
  H     -2.89144164      0.87976856     -1.04843434
  O     -1.92281477      7.26761136      1.37461186
  H      2.46156691      6.52630300      2.11448509
  H      3.52175529      4.71427577      2.65250599
  O     -1.37281721      1.72888807     -0.31156058
  H     -1.88817705      5.67325113     -1.31503560
  H      3.44795512      5.18701653      4.12520958
  O     -3.17077670      3.36199344      1.04408805
  H     -0.40642382      5.35101067     -0.94829745
  H     -5.28521998      3.60025299     -1.53497819
  O      0.30128100      8.67361711      0.76796547
  H      2.36053455      2.70762984     -1.12389979
  H     -4.38266775      3.69192304     -2.77475245
  O      0.80360787      1.12432025      1.37999563
  H      1.94298321      2.05046909      0.24798333
  H     -2.24266438      2.66076201     -3.43211574
  O     -0.64507274      3.04273569     -2.69568131
  H      1.30591819      4.16746634      0.19111966
  H     -3.15214625      2.42791844     -4.65748043
  O      0.84023723      7.60002200     -1.92834420
  H      1.31342291      5.66893398      0.55044033
  H      0.07648332      3.60316186      3.16701665
  O     -3.72299470      0.73526780     -1.52026398
  H     -1.70940840      6.50015989      1.92115819
  H      1.59755250      3.71072246      3.33443723
  O      2.93244979      5.09889658      3.32733101
  H     -2.56285374      6.94835639      0.72618172
  H      2.36820804      4.05163069     -2.79657111
  O     -4.95738571      4.21493272     -2.20356321
  H     -0.62902194      1.47532973      0.24711783
  H      2.71039099      2.80202375     -3.64431652
  O     -3.15684316      2.47863627     -3.70464418
  H     -1.02741253      2.16034960     -1.10477017
  H      4.65668650      4.84318406      0.69138339
  O      0.87921257      3.07164119      3.26307665
  H     -2.53264536      2.79959259      0.58030394
  H      3.81662544      3.55409474      0.76506223
  O      2.14962828      3.11041450     -2.93781554
  H     -4.04411574      3.01873528      0.81968741
  H     -4.93981617      1.62204257     -0.61157657
  O      4.41568426      4.11536340      1.27767816
  H      0.11885157      9.60102126      0.89350425
  H     -6.28986065      1.80079897      0.12516514
  O     -5.49473288      2.26091662     -0.12899799
  H     -0.52287989      8.19888113      0.97810003
  H      2.13705617      6.37760069     -2.33224406
  O      2.78922993      5.66895949     -2.43027501
  H      0.93888757      0.27475992      1.79124828
  H      3.49831935      5.87915741     -1.81277374
          69
 Energy    -248.78429916617745     
  O      1.30814983     -7.79086336     -2.91264467
  H      0.66399012     -7.44137573     -2.27054835
  H      2.33664401     -9.18790578      7.75255899
  O      6.41415385     -6.22225525      0.97830559
  H      0.80576812     -8.12724001     -3.64967009
  H      0.31166748     -7.38113150      4.63617495
  O      3.40394293     -5.43037579      3.67441853
  H      6.55992162     -7.14518320      1.21503571
  H     -1.18654796     -7.76681512      4.58245001
  O      0.38542819     -7.47566222      1.50957426
  H      6.39370460     -5.73462883      1.81086840
  H      4.17638942     -8.45190702      3.88342256
  O      6.19494296     -5.06421937      3.58907900
  H      2.96569646     -5.15950494      2.85516436
  H      3.69088924     -7.15756856      3.19455590
  O      7.04053754     -7.53917555      4.30635136
  H      4.33186666     -5.16461015      3.63800261
  H      0.62383387     -9.54783817      4.56522460
  O      2.59529811     -5.20954189     -2.60994695
  H      0.02873915     -7.59361637      2.39881088
  H      1.60242400    -10.71651111      4.25896648
  O      5.72392868     -9.98293174     -0.57980763
  H      0.99175648     -8.21418265      1.35829855
  H      2.21265721    -12.40165555      2.41284955
  O      2.01849069     -5.21623019      1.27933005
  H      6.52806587     -5.91862216      3.91928838
  H      2.40090521    -10.88786242      2.15391472
  O      2.34942079     -9.39916020      1.21465012
  H      6.77524353     -4.39120257      3.93503045
  H      4.33444253    -11.35257047      3.38640303
  O      4.07805087     -6.10749164     -0.41720938
  H      6.40830164     -7.99231821      4.88327143
  H      5.66422403    -10.64436760      3.03131555
  O      2.60148520     -8.90892769      6.88030417
  H      7.08577375     -8.08531966      3.51274269
  H      6.14369755     -9.37004858      1.04628215
  O     -0.34723698     -7.91407800      4.15404557
  H      3.27030524     -5.44128312     -1.95540834
  H      5.43400814     -8.61912091      2.22097286
  O      3.87551453     -8.09154353      3.03845181
  H      2.21717156     -6.04882501     -2.89780810
  H      4.23433303     -9.02682320      6.05691136
  O      1.19579194    -10.21030117      4.97167253
  H      6.24232317    -10.21606968     -1.34644325
  H      5.07803234     -9.88012876      5.03865979
  O      2.50481934    -11.58927321      2.81923733
  H      4.91550633     -9.56824652     -0.91855250
  H      2.69736405     -8.48062861     -1.88483111
  O      5.20752069    -11.12517106      3.73005290
  H      1.59209558     -4.66045088      0.61518492
  H      3.68926027     -7.74647561     -0.94867370
  O      6.28418279     -8.97489762      1.91944895
  H      1.44165345     -5.98393181      1.40512498
  H     -0.13072762     -5.72562351     -1.03677288
  O      4.98728005     -9.00858689      5.45476619
  H      2.89066966     -8.91378758      1.86017914
  H     -0.23394220     -6.99588312     -0.17069189
  O      3.39489463     -8.62617806     -1.23483930
  H      2.70183435     -9.21733032      0.33408425
  H      2.04677793     -7.23505835      6.03682137
  O     -0.34462219     -6.66579009     -1.07274940
  H      3.42175162     -5.80149181      0.22184606
  H      2.24813238     -6.11760434      4.97161153
  O      1.58370470     -6.58645463      5.49372285
  H      4.94491851     -6.08330478      0.01218933
  H      1.43519713     -4.34781462     -1.61235032
  O      0.79135038     -4.02029246     -0.95847458
  H      2.08840534     -9.44066360      6.24447179
  H      0.51213171     -3.15795182     -1.25298029
          69
 Energy    -248.78416329259716     
  O     18.01640895     15.28416641    -16.16997792
  H     18.76047847     15.00855828    -16.71792018
  H     17.35876791     10.94028160    -10.10651495
  O     20.97595291      9.85342193    -15.54032716
  H     18.40513573     15.65106843    -15.36549042
  H     20.83297974     16.77302244    -11.08938439
  O     19.43636161     13.32767921    -10.17200777
  H     20.42019504      9.36201564    -14.92395868
  H     20.74213037     18.26561340    -11.48756220
  O     20.12369151      9.85717671    -11.27728301
  H     21.44933362     10.49914951    -14.99724864
  H     20.99364179     12.57114261    -10.79887027
  O     16.07692947     10.99140562    -11.30173482
  H     18.98783059     12.55523697     -9.80906511
  H     22.51643298     12.79101645    -10.91151410
  O     19.36843119     11.80076557    -16.62603608
  H     18.85996383     13.68096194    -10.86633658
  H     16.78606693     10.41091705    -14.78149211
  O     21.59155797     14.56330691    -14.94681221
  H     19.45958981     10.13293973    -10.63385018
  H     17.67937832      9.56904731    -13.80113220
  O     21.09701848     15.56887974     -9.85592642
  H     20.83651885     10.50438857    -11.21291481
  H     20.64063215     14.20314860    -18.37237680
  O     21.66718478     12.01914448    -13.85165536
  H     16.33746927     10.52704910    -12.11007522
  H     20.01429621     13.29550031    -17.28549779
  O     15.69437911     12.99094659    -13.42682170
  H     15.66830853     11.80595035    -11.60819672
  H     22.33847850     16.52949172    -12.61719645
  O     16.62736765     11.17545226    -16.37778770
  H     19.12820493     12.12431019    -15.74412248
  H     22.64435644     15.48107471    -13.70390267
  O     18.13013902     10.91159630     -9.51432304
  H     19.95332273     11.04654615    -16.46193044
  H     19.79873951     16.54705122    -13.17352338
  O     20.77592528     17.38333229    -11.84683546
  H     21.71058932     13.66211088    -14.61215918
  H     20.16174609     15.42881032    -14.17897757
  O     21.81749440     12.14750463    -11.08190657
  H     21.30319016     14.49226121    -15.86387704
  H     23.42487021     14.87124336    -11.55596401
  O     16.97761066     10.23354498    -13.84646927
  H     21.96478089     15.17052565     -9.99559917
  H     24.44651181     14.46612145    -10.46772760
  O     20.33070316     14.19733714    -17.47065419
  H     20.47056357     14.83341870     -9.82278196
  H     19.60198108      9.06015483    -12.72497153
  O     23.00679451     15.89886736    -12.91153120
  H     20.69644437     12.03634073    -13.87437252
  H     19.33817558      7.70171323    -13.41661623
  O     19.41926976     15.93334269    -13.81530516
  H     21.89256932     12.03359688    -12.91318004
  H     18.32903175     11.51718134    -13.80439163
  O     23.54369145     14.34133083    -10.74730033
  H     16.03324827     12.10633658    -13.60329000
  H     18.63768915     12.95938436    -13.33559586
  O     19.24554858      8.64437369    -13.53133777
  H     15.57005977     13.38393231    -14.30173362
  H     15.05515814     14.34338977    -16.61208538
  O     18.94026416     12.25420372    -13.91845869
  H     16.23332789     12.05656808    -16.37665631
  H     16.52469593     14.40083882    -16.13333255
  O     15.70156763     13.88263543    -16.08376378
  H     17.53473643     11.29801692    -16.68716688
  H     17.05281641     13.98163629    -12.63506592
  O     17.90057638     14.24265932    -12.25178110
  H     17.82809305     10.54883057     -8.68560300
  H     18.31094479     14.92339217    -12.80458723
          69
 Energy    -248.78395041636023     
  O     -4.20297765      4.20659972     16.17908479
  H     -4.90054175      4.85816655     16.19862862
  H      2.47742780      0.67646046     16.10625637
  O     -2.37804677     -2.10909182     17.95241372
  H     -3.70853239      4.35665213     15.35690672
  H     -4.47588849      2.34296401     15.90531275
  O     -1.15051662      1.10794159     17.20187940
  H     -3.20230504     -1.65148171     17.74646925
  H     -4.14071695      1.37364653     14.75926268
  O     -2.65536600      3.85007959     18.59313128
  H     -1.79920119     -1.99056680     17.18566569
  H     -0.23082289      2.51921116     14.64479096
  O      1.33280566     -0.30126958     19.18168893
  H     -1.86185714      1.07733970     17.84979260
  H     -1.04899280      2.29881251     15.95373499
  O     -1.31254056     -0.94710433     20.15299418
  H     -1.03710668      0.22997721     16.81622593
  H     -3.72294829      0.59259016     18.81779779
  O      1.76858441      4.29381241     12.52889393
  H     -3.16992120      3.97702511     17.78788448
  H     -2.47997662      0.49557026     19.74475927
  O     -4.68291358     -0.44457513     17.59939043
  H     -2.86241902      2.96537048     18.92071600
  H     -1.06469222      4.52545362     18.78333820
  O      1.01261174      1.76897366     13.55161921
  H      0.46389047     -0.51017425     19.54436908
  H     -0.11802930      5.40825164     19.63025619
  O     -0.48551781      5.91739833     13.43630480
  H      1.35458448      0.65921114     19.07084460
  H      0.31030528     -1.32914333     16.07440255
  O     -2.66906203      4.27703856     13.87712730
  H     -1.66518894     -1.44533284     19.39262155
  H     -0.81745275     -0.97391354     15.04415598
  O      2.44271637      1.62962186     15.96092586
  H     -1.37273191     -1.52331114     20.91084519
  H      2.90337835      3.44477126     15.37964932
  O     -4.49711056      1.41179247     15.65413956
  H      2.23374409      4.37716564     13.38166689
  H      2.08871553      4.75325924     15.49965329
  O     -0.83480134      2.94384887     15.26686501
  H      2.38716176      4.55944598     11.85336573
  H      0.26349420      5.32668325     17.05700750
  O     -3.04966113      1.11749633     19.27228866
  H     -5.58609975     -0.74893095     17.62645498
  H     -0.02575925      4.45266940     15.82661538
  O     -0.15113424      4.85720258     18.85306634
  H     -4.62223967      0.18315945     16.85677108
  H     -3.78884799      1.65201908     12.20272780
  O     -0.64431342     -1.31224706     15.93641880
  H      1.59237595      1.69241223     14.32379400
  H     -3.14707542      2.64414640     13.19461982
  O      2.82541472      4.33901229     15.02712480
  H      1.27698201      2.56038890     13.06564409
  H      0.77247389      3.22771338     18.55085667
  O      0.40343328      5.27694224     16.10507276
  H      0.21144237      5.42287590     12.98876418
  H      0.26510321      1.90562875     17.92773105
  O     -3.35044286      1.70631595     13.04912768
  H     -0.20427450      5.95657398     14.35995264
  H      1.85654873     -0.89010155     17.61793762
  O      1.05466580      2.34735521     18.28055897
  H     -2.05781428      3.73842427     14.41183935
  H      2.73822922     -1.80964418     16.73919046
  O      2.09246142     -1.10895671     16.69794101
  H     -2.10607477      4.98808456     13.54496595
  H     -0.31590687      0.48422090     13.39531302
  O     -1.09023294     -0.07907308     13.53388046
  H      2.02205886      1.98937197     16.75580258
  H     -1.85640562      0.47896759     13.36249189
          69
 Energy    -248.78357681038324     
  O     12.02055754     10.05810518    -13.43691293
  H     12.06096087      9.26401209    -12.89126242
  H     16.21654235      4.29960663    -13.75095387
  O     16.32230231      5.49442493    -12.50229414
  H     11.90225034      9.75543171    -14.34647233
  H     19.40726278      5.91724669    -14.92913945
  O     18.43477159      9.68296740    -12.19555906
  H     17.14755047      5.92496551    -12.24121075
  H     20.90700468      6.03190315    -14.56997938
  O     16.70717045      8.83243306    -15.95769790
  H     15.64260611      5.68104938    -11.83513333
  H     15.30848041     10.02680873    -16.20808750
  O     12.84877761      6.84492651    -14.76963469
  H     17.48869843      9.86972617    -12.28580952
  H     14.46335342     11.05387461    -15.41264252
  O     15.94089185     10.17038831     -9.51731699
  H     18.67954387      9.95166718    -11.30204243
  H     15.72020723      6.95942989    -13.42102681
  O     14.37220436      6.25275499    -10.79237491
  H     16.24661522      8.44155281    -15.19953599
  H     14.46998639      7.47872089    -14.17686794
  O     15.68604653     10.00549109    -12.30246914
  H     17.61321940      9.01221773    -15.66849004
  H     11.31101557      7.04596168    -11.93799782
  O     16.49092133      6.65284251    -17.58297663
  H     12.55319809      7.56018252    -15.34823086
  H     12.33852738      7.12172922    -13.08770922
  O     15.59568105      7.50543123     -8.57766647
  H     13.31769766      6.19165462    -15.31163996
  H     18.52512217      8.30174696     -9.20899494
  O     18.21025917      5.12598015    -15.89615517
  H     15.74178963     10.13028267    -10.46345026
  H     18.46310405      7.05742762    -10.11377165
  O     16.17933753      3.70254554    -14.51968006
  H     15.67933173      9.31615891     -9.15176306
  H     19.04561885      9.43284574    -13.95551772
  O     20.04614535      6.38491202    -14.36197269
  H     14.68792508      6.72739542    -10.01309623
  H     19.57549831      8.22069061    -14.74356066
  O     14.47087882     10.50899495    -16.20903833
  H     13.64197240      6.75722141    -11.16738937
  H     18.53831722      7.85548527    -12.06568224
  O     15.33601060      7.73933040    -13.84064116
  H     15.20686978     10.71344796    -12.74944562
  H     19.21086330      6.63293193    -12.72556576
  O     12.13701762      7.45121025    -12.19456932
  H     15.48665656      9.18677665    -12.77788523
  H     19.00241346     10.89530851     -8.86657570
  O     18.23696260      7.38026532     -9.23194720
  H     16.57579034      7.47690715    -17.07342546
  H     17.68211246     10.28654924     -9.40112088
  O     19.19844717      9.10209621    -14.85113234
  H     16.59005452      6.88650980    -18.50220094
  H     15.07585886      5.66936301    -16.76314165
  O     18.64831892      6.89692036    -11.98648325
  H     16.53946982      7.38520735     -8.78734812
  H     14.96603507      4.59179946    -15.66875475
  O     18.65390829     10.21095910     -9.43063423
  H     15.47799095      7.21611362     -7.67649969
  H     13.29545172     11.24300573    -13.52919951
  O     14.44157483      5.18982475    -16.21601065
  H     17.58057580      4.54135188    -15.45649928
  H     13.80470830     12.70575854    -13.48494831
  O     14.07196868     11.81221658    -13.68237453
  H     17.69865004      5.62286666    -16.54576949
  H     11.60776950      9.36405457    -16.92202379
  O     12.13735200      9.15341544    -16.15829490
  H     16.12001088      2.81493637    -14.17702977
  H     12.98020647      9.63315074    -16.25690699
          69
 Energy    -248.78352994898208     
  O     15.05225599     10.19587367    -10.55437471
  H     14.80075436     10.73953525    -11.31233212
  H     14.55703859      5.64370097    -14.60962138
  O     12.72071727     10.27445061    -16.12990814
  H     15.88479608     10.52741677    -10.19289778
  H     16.24387357      4.25662477    -11.65285259
  O     16.85727062     10.78603346    -14.16953861
  H     13.48230230      9.94240350    -16.61933439
  H     15.97179468      3.22168314    -10.53743375
  O     13.30933515      4.94693121    -12.03761024
  H     12.62717998      9.72219496    -15.34174549
  H     14.09121590      8.84227721     -9.66137114
  O     18.32081605      8.14881094     -9.36665066
  H     16.00150736     10.88952919    -13.73417070
  H     13.07018118      7.76633693    -10.06279828
  O     15.86476501     12.10420933    -16.42999553
  H     17.54331108     10.85892496    -13.49036822
  H     18.02217250      7.20719176    -15.11437151
  O     15.96472264      7.89125647    -11.84643317
  H     13.54815640      4.75271587    -12.95200656
  H     19.21940574      6.24675699    -15.26369416
  O     14.30233363     11.17037460    -13.04019138
  H     14.05437261      4.63827992    -11.50843011
  H     12.68312386     13.40069391    -15.33143215
  O     18.72373901      7.90046880    -12.18663340
  H     18.68572593      7.94770052    -10.23749456
  H     13.04310339     11.91361642    -15.57292308
  O     18.69261551     10.71255220    -12.16285420
  H     17.57846101      7.54062504     -9.24227889
  H     13.55635261      8.30285001    -13.96513749
  O     16.87723049      4.52760215    -13.27385918
  H     16.37005958     11.78224376    -15.66958159
  H     12.41370677      8.41360944    -12.93627704
  O     14.39029222      4.68492304    -14.66026785
  H     15.07112611     12.51148963    -16.06175588
  H     15.17306168      9.80817058    -18.54289650
  O     15.75806233      4.10653113    -10.82251651
  H     15.98480830      7.30082834    -11.08191784
  H     15.45672517     10.62526716    -17.26074523
  O     13.71287652      7.99671198     -9.38224732
  H     15.64644008      8.73714739    -11.50505643
  H     11.05638380      7.01124977    -11.28727300
  O     18.51565287      6.49919300    -14.66988168
  H     13.98584858     11.85627895    -13.63990681
  H     12.41392907      6.40955982    -11.71502555
  O     13.36574536     12.75040612    -15.19125965
  H     13.75646411     10.38805649    -13.20870752
  H     15.16707991      6.92929546     -9.26965347
  O     12.83106839      8.87539608    -13.67340788
  H     18.87109307      7.38566825    -12.98585061
  H     15.90253500      5.62272887     -9.75336494
  O     15.20076552      9.74413156    -17.59158103
  H     17.75939935      7.94289931    -12.08792495
  H     15.31771514      7.41228104    -13.39743039
  O     11.94477663      7.24596267    -11.54488000
  H     18.38287634     10.88094977    -11.26539227
  H     15.62293148      7.72231209    -14.88788554
  O     16.03344858      6.51780767     -9.41810386
  H     18.88445313      9.76492752    -12.19681341
  H     17.89559460     11.25155996     -8.75120682
  O     14.98307595      7.30035065    -14.30233150
  H     16.09609878      4.45082093    -13.83706807
  H     17.87046802      9.83822962     -9.38002736
  O     17.59451445     10.76352212     -9.51277198
  H     17.45233630      5.17077521    -13.70242925
  H     16.44870260      8.84247420    -16.51600644
  O     16.96871209      8.55315665    -15.75592313
  H     14.01595457      4.51210748    -15.51969719
  H     17.02685890      9.31963540    -15.16232596
          69
 Energy    -248.78352436903927     
  O     11.19265649     10.22229188    -11.22563065
  H     11.78817763     10.76830928    -11.75299766
  H     16.75805307      6.97138167    -16.79296241
  O     13.64247917      7.44561219    -15.18956557
  H     10.61875557      9.77219933    -11.85926724
  H     14.94446521     13.60876587    -15.05037640
  O     17.71025883     10.34080936    -10.88841298
  H     13.99616014      7.06235230    -16.00083609
  H     15.62824516     12.22463443    -15.00804697
  O     17.74262592      9.81740829    -17.62470628
  H     14.31994757      8.06097606    -14.86395058
  H     15.40714998      9.45253423    -13.31034198
  O     11.86551036      9.52266382    -14.84211353
  H     16.76817176     10.38597175    -11.12878271
  H     16.00119853      9.77132715    -14.70458213
  O     13.65166093      5.96271496    -12.86464622
  H     17.84586489     10.96662372    -10.18187287
  H     11.73763945      8.98044959    -10.11762212
  O     15.09929503     10.15375802    -11.64640604
  H     17.77384658      8.92268881    -17.23979080
  H     11.65065535      8.30893357     -8.72574412
  O     14.99522334      9.25647858    -18.26018713
  H     18.47434449      9.88104452    -18.23262366
  H     11.93306076      6.22755690    -12.18603906
  O     16.09905846      4.74844967    -13.31754600
  H     12.40483624      8.73644716    -15.01331565
  H     11.36427711      6.99577084    -10.97574733
  O     17.04301195     11.18065991    -15.30593919
  H     11.08192562      9.22203960    -14.36656113
  H     18.60324985      9.01657412    -13.61223372
  O     14.99762917      6.68206002    -17.50283056
  H     14.42593064      5.39362542    -12.97026270
  H     18.50057344     10.15399071    -12.58663957
  O     17.61235302      7.33369105    -16.52323568
  H     13.55984874      6.44195194    -13.70074975
  H     16.80257860      7.81786575    -13.89023936
  O     14.78408115     12.68581612    -14.86846764
  H     14.80975986      9.29495565    -11.30307624
  H     17.56445904      7.20740266    -12.69081978
  O     15.55905940      9.08526098    -14.19035325
  H     14.33678036     10.60766794    -12.02951374
  H     17.57809344      8.39917389    -10.76822054
  O     12.01555269      8.20331504     -9.59998946
  H     15.89540336      9.58577366    -18.16326555
  H     16.38109556      7.42814789    -10.75636689
  O     11.11731256      6.59119097    -11.81603185
  H     14.41568872      9.87523668    -17.79137252
  H     12.74797435     10.51652320    -16.20601503
  O     18.72996513      9.96438996    -13.50636425
  H     16.67694697      4.13177885    -12.87279935
  H     13.82276651     11.61628953    -16.19337214
  O     17.51336646      7.19925180    -13.66005767
  H     16.64209949      5.52655819    -13.50719720
  H     14.20871891      7.03654146    -11.50828047
  O     17.32700142      7.48500834    -10.94766945
  H     17.30232378     10.83343271    -16.16967306
  H     13.69010025      7.76579704    -10.24065207
  O     13.40573897     10.95752942    -16.75865852
  H     17.70773392     10.87814331    -14.66784776
  H     13.60165071     11.90860667    -13.61501050
  O     14.47607247      7.61828384    -10.78211959
  H     14.79654895      6.10040785    -18.23056632
  H     12.65764564     10.68670742    -13.68624671
  O     13.05787991     11.32287250    -13.07405543
  H     14.94481056      7.59541380    -17.84412497
  H      8.91722774      8.36665427    -13.26705581
  O      9.83695631      8.58274932    -13.14026511
  H     17.71696762      7.13614067    -15.58599379
  H     10.25358712      7.80884143    -12.71978108
          69
 Energy    -248.78334042444732     
  O     11.75536558     10.06385006    -11.09849014
  H     11.30847232      9.31510665    -11.51366824
  H     15.69796592      5.68456743    -16.80857932
  O     13.80334494      7.01664842    -14.85161986
  H     12.06808518     10.61910564    -11.82243248
  H     17.51657670      6.97068841    -16.76707109
  O     17.74816249     11.21927458    -11.51101039
  H     14.53476534      7.63802974    -14.70789958
  H     17.51229255      6.20315547    -15.42026781
  O     17.56370258      8.67860359    -17.62476774
  H     14.04443620      6.44770129    -15.59145771
  H     14.11975787     11.48212207    -16.20335906
  O     11.84163651      8.93519218    -14.75481707
  H     16.81725586     10.98980869    -11.64429134
  H     14.46307117     12.98808732    -16.07935495
  O     16.46613006      7.47788940     -9.83350267
  H     18.10547446     10.53452278    -10.93166479
  H     15.63487554      9.21730649    -13.38660827
  O     13.42508465      6.41956655    -12.20055319
  H     17.42702300      9.42792673    -17.02147818
  H     16.21917856      9.33136096    -14.81906056
  O     15.19490815     10.26945780    -12.01285724
  H     18.21033856      8.95879977    -18.26802514
  H     19.33630165      8.55920924    -11.85856663
  O     14.75133321      8.26739643    -18.07711432
  H     12.51589945      8.25329307    -14.90033513
  H     19.41588186      9.23329868    -13.23961228
  O     16.02355559      5.35820621    -11.72231721
  H     11.28257739      8.57901282    -14.05602777
  H     11.69866966      7.11729871    -12.25088822
  O     17.03038320     10.64685983    -15.80250512
  H     16.37218841      6.70062802    -10.39626113
  H     10.16256820      7.05899809    -12.13051401
  O     14.75502117      5.58168714    -17.03421000
  H     15.58781752      7.87833728     -9.79477046
  H     18.54111847     11.20797988    -13.02814369
  O     17.31320897      6.11835586    -16.36134546
  H     14.22046249      5.93448586    -11.94910677
  H     19.73815731     11.67456904    -13.88999482
  O     14.63955267     12.13364368    -15.69377196
  H     13.52160317      6.58606994    -13.15124251
  H     18.34709095      7.13280852    -13.31202607
  O     15.82355550      8.71571379    -14.19172901
  H     14.82711228      9.67298338    -11.34819014
  H     16.90792506      7.36586285    -13.80308374
  O     19.52384954      8.38759975    -12.79125379
  H     14.44558178     10.66931384    -12.47549271
  H     17.91586567      8.42562119     -9.98600259
  O     10.88537613      7.63044574    -12.37965814
  H     15.70148224      8.42790541    -18.03796849
  H     19.21303388      8.89800393     -9.29323506
  O     18.98660558     11.08741251    -13.88716126
  H     14.64003851      7.33998268    -17.83917288
  H     13.68912240      9.54900058    -17.38249825
  O     17.54528200      6.66706978    -13.59041967
  H     16.59150478      5.75612429    -12.40457409
  H     12.55680798      9.81520287    -16.35225163
  O     18.72379271      8.95458381    -10.10965906
  H     16.32704470      4.46145382    -11.60373824
  H     13.72033954      7.77062972    -10.93731824
  O     13.19438660     10.24853470    -16.92978144
  H     17.70641666     10.88789925    -15.15294905
  H     13.13522997      9.08927438    -10.38183515
  O     13.89400391      8.49115402    -10.31621331
  H     16.28987513     11.26423886    -15.74113693
  H     13.54304977     11.63030922    -14.16833905
  O     13.04090834     11.15698792    -13.49465886
  H     14.66709393      4.75055941    -17.49153777
  H     12.62581773     10.40919898    -13.94874067
          69
 Energy    -248.78284654410788     
  O     13.13273219      9.09689145    -11.35366238
  H     13.58483918      9.51149998    -10.60713093
  H     17.01646502     10.27589384    -12.74233290
  O      9.71909655      7.57347534    -13.17589782
  H     13.79199704      8.62961258    -11.88277707
  H     14.20239317     14.38985263     -8.30075894
  O     12.37989386     11.38797557    -12.66968282
  H      9.10886556      7.22897482    -13.82174235
  H     13.51223327     14.92164411     -7.02357264
  O     14.29562454     10.34286242     -9.13797200
  H      9.75655549      8.53320245    -13.32820175
  H     11.45773693     12.18978401    -11.36436293
  O     16.56180292      7.86205240    -10.40764518
  H     13.22145380     11.85250955    -12.75749163
  H     10.02572236     12.27613197    -10.77166435
  O     14.31881005     15.28205777    -11.89878839
  H     12.58851364     10.53429739    -12.26130345
  H     11.64536123      7.34520733     -9.01973864
  O      9.16119386      9.42094457     -9.43859612
  H     13.55314897     10.82025074     -8.74544505
  H     11.63864961      8.19368846     -7.73139053
  O     14.90336614     12.60570952    -12.58331027
  H     14.46535499      9.53718538     -8.63324731
  H     10.49732145     10.00482723     -6.21882199
  O     15.53574346     14.49138643     -9.40564021
  H     15.95073448      7.75943575     -9.66936293
  H     11.26131046     10.56577763     -7.43991494
  O     10.89364954      7.62207570    -10.69446651
  H     16.05556941      7.70019523    -11.21439468
  H     13.81814086      7.58223372     -8.16630057
  O     12.13680040     15.05298674    -10.29239635
  H     13.49062808     15.23799152    -11.38797160
  H     15.10740086      7.39142623     -7.33576306
  O     16.32316622     10.27142288    -13.41459043
  H     14.30990952     16.11434288    -12.36367343
  H     15.57440793     11.36190239     -9.79010859
  O     13.38547097     14.34384575     -7.77119369
  H      9.69501061      8.75922412     -9.90109175
  H     16.97361686     11.36260738    -10.46324607
  O     10.93743918     12.56140835    -10.63692938
  H      9.58659790      9.55061893     -8.58474227
  H      9.30143189     10.70570995    -12.71145997
  O     12.09883635      7.47104773     -8.17478859
  H     15.34527923     12.36066949    -11.75714531
  H     10.70716327     10.73529588    -13.33955440
  O     10.78589219      9.78870237     -7.10206192
  H     14.72702063     13.55182118    -12.51094833
  H      8.64606620     10.65863751    -10.50542829
  O     14.77086243      7.78557900     -8.13615016
  H     15.91051612     13.62410941     -9.61549563
  H      7.52748187     11.58079026    -11.05341771
  O     16.23701012     11.93114838    -10.21041415
  H     15.25863941     14.86731234    -10.24968397
  H     15.02580610      7.35106413    -13.63590881
  O      9.84154827     10.31383181    -13.40861984
  H     11.67424163      8.14618377    -10.92866877
  H     15.54107274      8.73586967    -13.16276045
  O      8.45789166     11.38849851    -11.12469994
  H     10.43949798      7.44158400    -11.52933345
  H     18.98535595      9.81960546    -11.07237436
  O     15.13106471      7.90304549    -12.86599813
  H     11.61062295     14.26110556    -10.47164238
  H     17.57916367      9.22643450    -10.81248247
  O     18.05443013     10.01657299    -11.12705362
  H     12.45656544     14.94907883     -9.38895213
  H     12.56774266     12.70536337     -7.97154233
  O     12.14850204     11.88123442     -8.25075027
  H     15.84499788     11.10457447    -13.31814505
  H     11.68371468     12.07117311     -9.08013016
          69
 Energy    -248.78267083977329     
  O     12.09897481      8.97024463    -10.75391834
  H     11.18240775      9.00601321    -10.45461911
  H     15.07990386     14.16824248     -9.24603882
  O     11.61114787      7.52971878    -13.11451933
  H     12.07845746      8.48142832    -11.58682323
  H     11.56976472     12.77773675    -10.07206211
  O     14.56928152     10.08555785    -10.63777726
  H     10.75661313      7.97857372    -13.14169409
  H     12.32179961     12.16222347     -8.85521821
  O     15.69416323      7.73572459    -11.69907895
  H     11.49086101      6.65909258    -12.71147272
  H     12.62047086      8.02254532     -7.78428204
  O     12.74070915     15.74170892    -10.99339877
  H     13.64900961      9.78022814    -10.69517177
  H     12.53612289      7.91542668     -9.31428434
  O      9.34895472      8.64761774    -10.19382917
  H     15.11042665      9.34253336    -10.92945853
  H     12.49577007      9.73407108     -5.83926291
  O     11.91749858     13.23133390    -11.78748936
  H     15.12284310      7.06488962    -11.28364414
  H     12.95052895     10.23126381     -7.22910172
  O     15.38284780     14.58296166    -11.08415412
  H     16.57009626      7.36129034    -11.73867831
  H     13.68291838      6.32786987     -9.68724075
  O     10.32668949      6.14619102     -9.48292740
  H     13.67576826     15.50690248    -11.05112195
  H     13.24901388      5.59085375    -10.96888083
  O     12.19030418     15.16213554     -8.23400774
  H     12.52890795     15.72949862    -10.05145467
  H     14.60621679     11.51479474    -11.71405167
  O     14.07739440      8.49454757    -13.94535513
  H      9.38530250      9.36445803     -9.54096015
  H     14.31168291     11.92567668    -13.18426100
  O     14.77679193     13.92683064     -8.36187659
  H      9.17772107      9.00136432    -11.07403613
  H      8.58459539      9.32103686    -13.55515745
  O     11.51921504     12.63489319     -9.11624165
  H     12.79622011     12.86730148    -11.96193955
  H      9.91657062     10.01582011    -13.19080113
  O     12.68637198      7.39321633     -8.51110562
  H     12.04967591     14.17734887    -11.63014959
  H     10.65299964     10.08488139     -7.67670895
  O     12.35999961      9.60616096     -6.77494659
  H     15.14682254     13.77470332    -11.56924079
  H     10.36585669     11.29363324     -8.57497870
  O     14.01476874      5.96929725    -10.52197555
  H     16.19208931     14.90803930    -11.47096413
  H     11.14000575     12.02936699    -12.95867255
  O     14.51699868     12.27493922    -12.30730564
  H      9.84096090      6.95329045     -9.70825833
  H     11.83726397     11.18101874    -14.03338191
  O      9.34383208      9.25500358    -12.98201526
  H     11.07347790      6.43798948     -8.94478038
  H     13.85757039     11.15434517    -15.58995390
  O      9.98892580     10.45848336     -8.26702774
  H     11.83894253     14.28900280     -8.47828190
  H     13.84642403     10.11686659    -14.44020305
  O     10.99766097     11.29848896    -13.57505160
  H     11.59875615     15.52253321     -7.57863691
  H     11.22839612      4.23637629    -11.85288857
  O     13.66148869     11.04774778    -14.66315910
  H     14.67776124      8.21196315    -13.24636731
  H     11.01768108      5.43289864    -10.89230626
  O     11.50030149      5.13431527    -11.68516226
  H     13.22236494      8.08038753    -13.76049983
  H     14.25264348     10.88872576     -9.03062683
  O     13.88438902     11.34378936     -8.26138307
  H     13.99071160     14.46360683     -8.20069938
  H     14.30419496     12.21546229     -8.20561662
          69
 Energy    -248.78242498034166     
  O     11.08569901     10.20321016    -10.34699570
  H     10.60100864     10.83372699    -10.90204447
  H     12.27358677     13.61817180    -13.99658720
  O     13.73213711      9.51692971    -17.60206953
  H     11.14459803      9.35630809    -10.80659420
  H     16.81452808      9.72181253    -11.53995456
  O     11.67003420      7.77201053    -11.67986197
  H     14.28741702      9.49042528    -18.37661419
  H     17.52135431      8.40352211    -11.14684785
  O     14.15244677      8.94845238    -14.88049238
  H     13.39241977     10.42712492    -17.53082177
  H     14.36945843      8.03389680    -13.25534383
  O     13.38452888     13.28742380     -7.74703365
  H     11.43803497      6.91493596    -11.33107602
  H     15.11052640      8.07483668    -11.90153507
  O     12.57521833     11.96932201    -17.34394020
  H     12.63314222      7.75955085    -11.83022207
  H     12.45500421     14.32532454    -11.69123644
  O     11.43444415      8.67104707    -14.34428774
  H     14.34653259      9.82109152    -14.50419390
  H     11.46541503     15.37544758    -12.24362433
  O     13.57861839     11.10253893    -11.14165813
  H     14.13615426      9.05420429    -15.83899341
  H     16.84431352     12.12853483    -11.71782613
  O     12.56736749     10.71929307     -8.00549343
  H     13.03971490     13.67237154     -6.94630674
  H     16.18263543     11.39558550    -12.89727555
  O     16.43050836     13.72649910    -10.71975277
  H     13.03150816     12.37964502     -7.79490149
  H     10.68147530     10.29712564    -14.48887203
  O     10.07537044     12.13252117    -12.01035933
  H     12.64396361     12.46478912    -16.51809000
  H      9.99628313     11.21401585    -15.53532908
  O     12.44909598     12.97701188    -14.69487516
  H     11.63392374     11.79170700    -17.46699798
  H     15.24749154     12.73634804     -7.94102839
  O     16.67774062      8.84779824    -11.13276997
  H     11.36346673      8.29669594    -13.45903217
  H     16.35566151     12.83417440     -9.00629723
  O     14.30619074      7.76157683    -12.32996819
  H     12.38148417      8.76326043    -14.52634238
  H     14.16394540     11.22526037    -12.79919230
  O     11.78946084     14.48815055    -12.37913201
  H     12.67907256     10.81305633    -10.94182640
  H     13.88678470     12.00402433    -14.11084436
  O     16.89232100     11.32223333    -12.24381348
  H     14.15215057     10.68666131    -10.48417517
  H     10.20185993     10.11943801    -17.39124470
  O     10.31559481     11.18358361    -14.62590680
  H     11.92983588     10.51823445     -8.70409365
  H      9.12684266     11.04375748    -18.01426164
  O     16.07788924     12.33601064     -8.22812473
  H     13.38346472     10.26364337     -8.25248249
  H     15.68372968      9.43642831     -9.65703382
  O     14.50527964     11.39255304    -13.69259320
  H     15.46752553     13.84593608    -10.71076322
  H     15.54095514     10.69283894     -8.74303600
  O      9.85973845     11.03186823    -17.40527381
  H     16.81129759     14.57865770    -10.91921672
  H     13.49683555     13.74817452     -9.53026635
  O     15.06750093      9.92431531     -9.09830615
  H     10.00554070     11.80857380    -12.91916060
  H     13.61599510     12.81849604    -10.75970190
  O     13.64909836     13.74963884    -10.48471539
  H     10.56525978     12.95941551    -12.06770785
  H     11.96546804      8.75612878    -17.40283377
  O     11.04671963      8.59884259    -17.15027791
  H     11.71772863     12.34131259    -14.65889512
  H     11.06220062      8.43768533    -16.19717637
          69
 Energy    -248.78238822925977     
  O     16.93463103      9.65739659    -10.86719188
  H     16.48363055     10.50678251    -10.79280147
  H     13.54738851      8.44493805     -6.62772645
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  H     19.05491732      4.97354992    -11.53818284
  O     15.25986678     11.85116337    -10.46080796
  H     13.22927785      5.24344147     -8.93998853
  H     19.50165805      5.66725886    -12.83091281
  O     12.55321595      5.72831865    -10.73468483
  H     14.69628187      4.97077381     -8.62616271
  H     15.75602201      5.29837525    -10.72149335
  O     15.53061165      8.38916820    -12.93312066
  H     15.23095229     12.80090512    -10.53337797
  H     17.06795563      5.29438943     -9.86737391
  O     19.36159099      8.46484811    -10.70070783
  H     15.22093267     11.64003860     -9.50954234
  H     20.76061652      7.84646227    -13.55915111
  O     19.94856387      9.25499860     -8.02565271
  H     13.31978599      5.69096841    -11.33018179
  H     19.81047772      7.88975313    -12.34277647
  O     18.80456455      5.79369451     -9.86889741
  H     11.81243898      5.37723723    -11.22290412
  H     17.28215486      9.24913156     -6.47286410
  O     15.29517655     11.12891130     -7.86618028
  H     16.14070819      8.11870572    -13.63444844
  H     17.70637541     10.50602577     -5.67830316
  O     13.49526279     10.00047438    -11.79059672
  H     16.06475336      8.83589533    -12.26269601
  H     18.29129007      7.42636372    -14.21851106
  O     12.96265719      8.33283657     -9.69488417
  H     19.68823356      8.74420346     -9.83771845
  H     17.21267963      6.37279761    -14.53205647
  O     13.38520115      9.26529121     -7.10547424
  H     18.52852381      8.94369956    -10.83685430
  H     14.73917253      8.05761500     -9.32763039
  O     19.09108121      4.85967734    -12.49699935
  H     20.72571958      9.69223955     -7.68410709
  H     15.82524281      6.94376837     -9.45192820
  O     16.10707686      5.19666800     -9.82631695
  H     19.18883171      9.64344678     -7.56390467
  H     13.91995014      6.08600507     -6.74879593
  O     19.94389530      7.49017107    -13.21794884
  H     18.94587854      6.68202887    -10.22113292
  H     13.56738702      6.22026252     -5.25124036
  O     17.72523813     10.11304281     -6.54828857
  H     18.95608798      5.87002304     -8.91598941
  H     15.03144185      6.71283178    -12.45814409
  O     17.41986024      7.31138452    -14.61691098
  H     16.12797786     10.85541840     -7.47213786
  H     15.42087859      5.27273920    -12.88087422
  O     15.68531737      7.87667272     -9.24307633
  H     14.61648665     10.52011881     -7.53637976
  H     18.19686726      6.81026287     -6.93283839
  O     14.02375471      6.65585993     -5.96589951
  H     14.09176180      9.48702105    -12.35177030
  H     19.51690528      7.41593607     -7.42608077
  O     14.86864018      5.77646285    -12.26925066
  H     14.02646943     10.71076192    -11.40940255
  H     16.25640376      7.81373845     -7.56542287
  O     19.08024253      6.57525261     -7.24683684
  H     12.68756850      7.47836413    -10.04465242
  H     15.75919863      7.29406810     -6.20828842
  O     16.52827659      7.67978146     -6.64322600
  H     13.03740731      8.94533122    -10.44302175
  H     17.61344770      4.58740865    -13.37760779
  O     16.79332416      4.56753209    -13.90319572
  H     13.05546604      8.99339866     -7.97431663
  H     16.84255454      3.79440873    -14.45895877
          69
 Energy    -248.78235936457105     
  O     -2.65025168      3.60145788      3.17505861
  H     -3.61069382      3.67827640      3.08721957
  H     -3.40382374      1.27735443      0.16310320
  O     -0.70304125     -0.36887989      2.98636262
  H     -2.28514213      3.64094189      2.27955159
  H     -6.18284104      3.66906351     -0.45512972
  O     -4.41045503     -1.69679025     -1.21540566
  H     -0.71390291     -0.25846891      2.02390979
  H     -5.06619891      4.72654269     -0.21012545
  O     -2.03039653     -2.59623264     -0.28322111
  H     -0.00126735      0.20482162      3.31738393
  H      0.96645211      2.06784958      1.84099685
  O     -4.35370135      1.02466280      1.60064794
  H     -4.55969366     -0.90128036     -1.73710173
  H      0.41292443      1.38454345      0.57727001
  O     -5.35607001      3.44059743      2.63416528
  H     -5.00715539     -1.63160531     -0.45601107
  H     -0.72375579      3.30566449      0.68456077
  O     -7.74230141      0.85260278      0.91705627
  H     -1.78902052     -3.37931401     -0.77064880
  H     -2.09296506      2.93368893      0.07709137
  O     -2.94557025      0.91186412      3.99174354
  H     -2.87377130     -2.28296512     -0.65666921
  H     -2.70872752      4.86853875     -0.22286743
  O     -4.84614163      0.85373443     -2.52005084
  H     -4.78773715      1.86071551      1.81401874
  H     -3.05775952      6.25145778     -0.78809496
  O     -5.89066460     -1.21610226      1.09514903
  H     -3.83144611      0.80357158      2.38280404
  H     -5.44079652     -0.95103449      4.28329912
  O     -5.08599127     -2.60680417      3.40501369
  H     -6.11720721      2.99829198      3.02741421
  H     -4.60853446      0.31016509      4.56538825
  O     -2.86415122      1.47623340     -0.61921307
  H     -5.63076566      3.85129835      1.79826549
  H     -0.55034740      4.11779866      5.55679992
  O     -5.88528555      4.35585134      0.14952861
  H     -7.26628248      0.01065992      0.93958351
  H     -1.21546100      3.71897036      4.23070220
  O      0.72548281      2.23117642      0.92165302
  H     -7.70780516      1.19203766      1.81903955
  H      2.00284014      1.63510619      4.13620220
  O     -1.62919326      3.62691644      0.57073984
  H     -2.78944006      1.84840814      3.81042166
  H      0.62900534      2.34478365      4.12221785
  O     -3.41403780      5.37667206     -0.65229133
  H     -2.14340616      0.43640372      3.73801181
  H     -8.01654803      1.83821801      4.28843954
  O     -5.50756224     -0.04445717      4.60579933
  H     -4.87889946      1.02792797     -3.45771598
  H     -6.71409217      1.06059172      3.99214004
  O     -0.40242397      3.62578221      4.75324490
  H     -5.61517270      1.29725457     -2.12693643
  H     -1.84967540     -1.87781673      2.83612507
  O      1.14688263      1.62881768      3.71557431
  H     -5.74810286     -1.79756588      1.85110841
  H     -2.37400899     -2.60573068      1.58389566
  O     -7.34356070      1.70774842      3.62566788
  H     -5.35850325     -0.42171290      1.26597036
  H     -1.44915068      0.44818401     -0.15023128
  O     -2.52619046     -2.49420220      2.53048130
  H     -5.24128302     -3.46729995      3.78463768
  H     -1.03012516     -1.02450900     -0.02498598
  O     -0.75373280     -0.12759520      0.19985878
  H     -4.15030335     -2.58630274      3.13322851
  H     -7.28789528      1.68478170     -0.52737598
  O     -7.00904760      2.13245344     -1.34676196
  H     -3.43289977      1.33369447     -1.38222334
  H     -7.80896029      2.43186505     -1.77254335
          69
 Energy    -248.78229568173583     
  O     13.16267900      9.55715789    -11.17094081
  H     13.92623849      9.09328283    -11.53406577
  H     13.72025953     15.48255713     -9.75256505
  O     13.71734197      6.46861860    -13.50823107
  H     13.49745992     10.19707623    -10.52805980
  H      9.75444563     12.47949309    -10.68957126
  O     11.42646009     10.69055002    -12.89836873
  H     13.82330115      5.80415496    -14.18412542
  H     10.82625937     12.08192245    -11.72016702
  O     14.23908993     11.38303251     -9.41513413
  H     13.28793868      7.23179058    -13.93338800
  H     11.23512903      8.27497896     -6.49210799
  O     15.22759460      6.86864166     -9.52092681
  H     11.95121737     11.36105075    -13.35637647
  H     11.14345489      9.50316189     -7.42812269
  O     11.92231480     14.72729785    -12.74779858
  H     12.03400304     10.26822616    -12.26637783
  H      9.69308840     11.13186833     -8.36380896
  O      9.35379246      9.36637462    -11.40928933
  H     14.37048609     10.65573797     -8.78831638
  H     11.03587122     11.76214871     -7.95142664
  O     13.23643714     12.58612877    -13.83178321
  H     13.52273413     11.94549699     -9.08949477
  H     13.41240301      8.89077794     -7.66173303
  O     14.46763005     15.21960853    -11.41686906
  H     15.75754629      6.18192597     -9.12424792
  H     14.63606009      8.33544313     -8.42955122
  O     11.28670119      7.88002762    -10.00948985
  H     14.44478887      6.43445566     -9.90528734
  H     14.88457377     12.17551379    -10.88350592
  O     15.43531018      8.14465432    -12.03188097
  H     11.35608447     14.23766835    -12.13657762
  H     15.63813432     11.92526181    -12.22482582
  O     13.23877321     15.51327254     -8.91228970
  H     12.68453704     15.02334951    -12.23569700
  H     13.31023706      9.32541780    -15.02292036
  O     10.55562391     12.79463370    -11.12828613
  H      9.91233810      8.74273069    -10.92405055
  H     12.06269891      9.26379585    -14.13309419
  O     11.55497763      8.62628031     -7.31861189
  H      9.91603486      9.75280912    -12.09079418
  H      8.71461895     10.61817714    -10.38304410
  O     10.42961215     11.03682541     -7.74870471
  H     12.72919005     13.39251089    -13.66316987
  H      7.53626878     11.43979318     -9.80456139
  O     14.31447140      9.09900137     -7.93533568
  H     13.87153586     12.51785187    -13.10389632
  H     14.62653620     11.11358374    -16.37721098
  O     15.11207912     12.57513332    -11.73543945
  H     14.76875360     14.30074299    -11.52016761
  H     13.98710844     11.49205215    -15.02196395
  O     12.67897713      8.71160226    -14.62529963
  H     15.10704769     15.76441828    -11.86958686
  H     15.74052100     10.54457722    -14.07870736
  O      8.48770233     11.38793143     -9.83002841
  H     11.30050803      8.03415978     -9.05625983
  H     16.06635077      9.71005954    -12.82298722
  O     14.42059188     10.77134501    -15.51077279
  H     11.96965217      8.45756792    -10.38466656
  H     13.16378799      5.97317129    -11.73207851
  O     16.20899445     10.57220177    -13.23687932
  H     14.97523150      7.50210219    -12.58878808
  H     12.30661610      6.41218305    -10.52100245
  O     13.04806489      5.84849267    -10.78230718
  H     15.54171455      7.73800112    -11.16183228
  H     11.59602618     12.98572978     -9.63062138
  O     12.10006348     13.01215245     -8.80507979
  H     13.13290651     16.43702228     -8.69861062
  H     12.45239104     13.90808419     -8.71575468
          69
 Energy    -248.78175402278544     
  O     10.39482674     10.84074173    -10.53821089
  H     11.23664281     11.20859497    -10.21513548
  H     13.00089175     12.35800070    -10.71364875
  O     14.53447716     10.25251478    -12.89638058
  H      9.77921227     10.87863472     -9.81146927
  H      9.85216026     11.10623289    -17.84312845
  O     16.96539968     12.62901017    -13.51843991
  H     15.45330309     10.42294545    -12.66256285
  H     11.21862217     11.68861776    -17.41375673
  O     15.55885481      6.85429491    -12.53099852
  H     14.21332889      9.58567721    -12.27413625
  H     14.06121197     13.40967303    -13.90214020
  O     10.54704456     11.99640809    -13.10241304
  H     17.32487198     12.17810537    -14.29268540
  H     13.96420784     14.22237854    -15.21340310
  O     12.53854287     14.90649726    -16.22941511
  H     16.21840595     13.14355501    -13.84726397
  H     18.16316301     11.59075909    -16.63938479
  O     14.95229147     11.55401813    -16.46409859
  H     16.43534436      7.24794094    -12.43857016
  H     16.69431334     11.33283360    -16.23279439
  O     15.10996234     10.25735590     -9.50478082
  H     15.39635145      6.79813102    -13.47989495
  H     17.86212591      8.43954069    -14.25532632
  O     13.19082822     12.64332237    -12.56081947
  H     10.73454759     11.22468157    -13.65879699
  H     17.66363703      9.41384029    -15.44384906
  O     13.79558383      9.31271914    -15.32482023
  H     10.32775956     11.66532021    -12.22341883
  H     10.76402455     10.24639684    -15.56967499
  O     18.04945159      8.29573045    -12.39480351
  H     11.72388701     14.51328445    -15.86692962
  H     12.04195151      9.60975474    -14.99699807
  O     12.80336063     11.92201274     -9.87322008
  H     12.33103656     15.81017215    -16.45132954
  H     15.48302070      6.26483127    -16.00490205
  O     10.38478902     11.31236237    -17.07949077
  H     14.52067726     10.75111390    -16.13752391
  H     16.18556933      7.50912065    -15.40536437
  O     14.56253703     13.67797085    -14.68740500
  H     14.79291398     12.26176173    -15.82089964
  H     12.66618115     13.42017788    -17.44730682
  O     17.61787583     11.22499380    -15.94687919
  H     15.35491244      9.94222384     -8.63793231
  H     13.51935685     12.14786715    -17.55331842
  O     17.59419458      8.48808789    -15.18192213
  H     14.65705825      9.51953174     -9.95105894
  H     11.19510719      8.90906887    -13.01943614
  O     11.13112150      9.84687423    -14.77059832
  H     12.25937141     12.50915161    -12.78434106
  H     10.95235625      9.33456595    -11.55564520
  O     15.35416037      6.99933081    -15.41110369
  H     13.63292812     11.78792290    -12.67475816
  H     17.04956477     11.50923426    -12.12367530
  O     12.69102416     12.54391135    -17.85190413
  H     14.08674680      9.64347801    -14.45927276
  H     16.43388152     10.77161199    -10.85504672
  O     11.36946723      8.65851643    -12.10552113
  H     14.22405549      8.45725646    -15.44855721
  H     10.18028703     12.88997992    -15.98503717
  O     17.02565883     10.68513172    -11.61181418
  H     17.74232421      9.16184549    -12.07550433
  H     10.29518687     13.20427942    -14.48876907
  O     10.31339140     13.61597692    -15.36308406
  H     18.84963121      8.09325108    -11.91709163
  H     12.94400681      8.31046442    -11.33637427
  O     13.85217582      8.33974353    -10.99945803
  H     13.59431210     11.41939163     -9.64819146
  H     14.39011670      7.69383456    -11.48327996
          69
 Energy    -248.78136600905211     
  O     13.61102633     11.22006634    -10.65855424
  H     12.80531939     11.02437719    -10.16409949
  H     13.81732785     13.26152645    -12.57629637
  O     10.53502498     11.92346726    -14.68339565
  H     13.50847918     12.12310632    -10.99098259
  H     12.77274875     15.42181083    -15.12305192
  O     13.62220375      9.24306121    -12.68611334
  H     10.70645957     12.64562334    -14.06208754
  H     11.89256776     16.69002016    -15.18089485
  O     11.07521889     10.71852330     -9.57114585
  H      9.91900363     11.32081798    -14.24841631
  H     13.99181270     11.68271390    -14.30824437
  O     10.92793581      8.86026925    -11.74150448
  H     13.67983312      9.94099768    -12.01731681
  H     15.34396921     11.93816412    -13.55836819
  O     12.84552245     10.48925054    -15.00956489
  H     13.27464722      9.63631478    -13.50258152
  H     18.82795842     12.67959820    -15.51938282
  O     16.08681626     14.81370016    -11.35777401
  H     10.70698908     10.70734329     -8.69202283
  H     17.59620092     13.31224721    -14.83441671
  O      8.99338700     10.21190831    -13.09894332
  H     10.53987136     11.34298125    -10.09366699
  H     11.10373502     14.50296898    -16.30457867
  O     14.34713665     14.62193088    -15.45040289
  H     10.97887236      9.35891610    -10.91569089
  H     10.66891060     13.03510899    -16.22694885
  O     13.54773473     13.37911121    -17.73843228
  H     11.83263499      8.80126642    -12.06989933
  H     15.19641329      8.77784259    -13.38280128
  O     11.01013401     14.05504884    -12.92437375
  H     13.13669331     10.45050428    -15.92892319
  H     16.32755383      7.76706385    -13.67941433
  O     13.50016915     13.77054480    -11.81102749
  H     12.01019842     10.97729452    -14.97103848
  H     16.29736057      9.70836357    -15.44025923
  O     11.86769219     15.75440807    -14.99695245
  H     16.22131289     13.92439822    -10.98303940
  H     16.89273956     11.06077087    -15.91015147
  O     14.53151897     12.35270518    -13.86941238
  H     16.47464673     15.43013361    -10.74192464
  H     14.91184251     10.46362676    -17.13048259
  O     17.97999344     12.46980903    -15.13703170
  H      9.66666543      9.65695066    -12.66642243
  H     14.03268536      9.98993494    -18.31434859
  O     10.92366341     13.72769569    -16.84976643
  H      8.22351823      9.66454204    -13.22676069
  H     16.78964290     10.24346415    -13.15364338
  O     16.06628152      8.67568424    -13.80523835
  H     14.43684782     13.84105802    -14.88485871
  H     17.47882567     11.56319806    -13.62509176
  O     16.36575533     10.30481349    -16.19522621
  H     14.16736502     14.27805182    -16.33983298
  H      9.97419432     13.00990094    -11.73326455
  O     14.03052427     10.54323695    -17.53780185
  H     13.73171920     12.43384051    -17.75712014
  H      9.23415299     11.65991786    -11.84501568
  O     16.96084567     11.16296386    -12.91398306
  H     12.59744448     13.46340323    -17.56709611
  H     16.61146929     14.81541908    -13.23865879
  O      9.59299611     12.29289553    -11.21055781
  H     11.15242746     14.73585091    -13.59398210
  H     16.03628296     14.91531070    -14.67279468
  O     16.84640538     14.74821362    -14.17170032
  H     11.84376020     13.99742370    -12.43391526
  H     16.65083926     11.82249550    -11.25550318
  O     16.28396994     12.24592207    -10.46518041
  H     14.24762485     14.32016257    -11.55078294
  H     15.43526995     11.81119897    -10.31848983
          69
 Energy    -248.78114814453392     
  O     19.30943430     10.05134726    -14.03734962
  H     19.81595147      9.27815293    -13.74656694
  H     20.59845240      7.53270181    -12.13376822
  O     20.48494295      7.19778834    -10.37656358
  H     18.95901909      9.83024551    -14.90800782
  H     18.93875946      3.38856188    -13.20543792
  O     15.59083186      8.47024127    -10.55725805
  H     19.66365086      7.46870542     -9.95207199
  H     20.14484382      4.26630023    -13.64567901
  O     13.01520302     10.41186833    -13.98845781
  H     20.53327101      6.23648635    -10.29109628
  H     16.02698966      9.47161973    -14.06943541
  O     17.82095798      9.23869632    -16.40860188
  H     16.09278611      8.91975184    -11.25608109
  H     14.67441821      9.92099237    -14.67842573
  O     11.93781242      7.93083065    -14.27598325
  H     15.18721717      7.68759215    -10.96082453
  H     17.79501137      6.12379735    -11.89283902
  O     17.72730497      5.18949272    -10.21735220
  H     12.43069918     11.10409700    -14.28658232
  H     18.73904287      6.94290565    -12.83342866
  O     14.26820090      6.36612847    -11.90000920
  H     12.55362137      9.56761812    -14.14254687
  H     14.87727049      7.73606997    -14.80828446
  O     20.37420661      4.34234811    -10.38815679
  H     16.96164166      9.34019991    -15.96879466
  H     15.21507308      6.22366220    -14.86025068
  O     15.69587818      3.94460836    -11.59735680
  H     17.77543589      9.75617518    -17.20969682
  H     17.03295231      8.04948447     -9.54476116
  O     17.14418826      2.84024670    -13.59172716
  H     11.69129743      7.63623670    -13.39025588
  H     17.81692137      8.12727010     -8.22018929
  O     20.40480465      7.66454704    -13.07442559
  H     12.71698962      7.41357249    -14.52358130
  H     20.17366392      5.90045160    -15.41074161
  O     19.81183027      3.69974242    -12.93881996
  H     18.61647543      4.81473040    -10.17094277
  H     21.61098928      5.32838287    -15.42287719
  O     15.50367220      9.47371922    -14.88674816
  H     17.72789411      5.99709226     -9.68799365
  H     13.93178792      9.42436426    -10.87322117
  O     17.82534586      6.65354577    -12.69760286
  H     13.34273638      6.54931613    -11.69564025
  H     13.15069026     10.04553691    -12.06131463
  O     14.51437394      6.85449299    -14.64752432
  H     14.38002969      6.53695964    -12.84601601
  H     16.84952046      4.37760290    -14.60888633
  O     17.83303916      7.73718699     -9.09102755
  H     20.92416582      3.67199995     -9.99302514
  H     17.13708589      5.80637625    -14.10670916
  O     20.87516384      5.52353033    -14.84876317
  H     20.22578408      4.07743734    -11.31492860
  H     18.53570011      7.47091013    -16.36885006
  O     13.05033528      9.67668063    -11.17544067
  H     15.09621795      4.69196645    -11.71449189
  H     18.06172169      6.06600272    -15.94382028
  O     16.78466160      5.30585142    -14.86122417
  H     16.37569200      4.26647407    -10.98776525
  H     10.95022068      7.24714168    -10.86163005
  O     18.82557644      6.55598862    -16.27946520
  H     16.58396762      3.18158896    -12.87006394
  H     12.07371656      8.21999800    -11.29930208
  O     11.66059899      7.35752926    -11.48718697
  H     16.87197209      1.94035689    -13.74880662
  H     17.86451769      9.73787822    -13.01927959
  O     17.07836560      9.29928397    -12.66334052
  H     20.76815912      6.93368861    -13.58781567
  H     17.27317284      8.34873248    -12.66928608
          69
 Energy    -248.78103745222467     
  O     11.73066322     11.30626842    -15.44551658
  H     11.52972751     10.80649341    -14.64019728
  H     18.73950045     11.18830017    -13.30198146
  O     16.32174903      7.68833066    -13.42863523
  H     12.28417616     12.05167821    -15.19210488
  H     15.89671943     10.45851696    -17.21897439
  O     16.36614405     11.58456007    -11.17066876
  H     15.76969329      8.38755400    -13.81026985
  H     17.23815213     10.36993200    -16.41067479
  O     16.27692246     13.17391988    -15.01863695
  H     16.84171196      8.11063166    -12.73300111
  H     15.29695452     10.06353267    -15.20878503
  O     13.07260805      7.77120095    -15.95309547
  H     15.56082490     11.58427530    -11.71041479
  H     14.09485164      9.08356944    -15.03669897
  O     12.22858309     10.65033621    -10.67960503
  H     16.99667964     12.13662313    -11.64839656
  H     11.45269754      8.78463677    -13.26508354
  O     14.29177845      6.72496244    -11.78672860
  H     16.33558018     12.40921368    -15.60955111
  H     11.47076108      9.96753698    -12.28716040
  O     14.04726003     11.49715130    -12.65691830
  H     15.33833907     13.37447305    -14.93766949
  H     15.79615850      6.94487898     -9.01936709
  O     17.30500646      7.12300953    -15.95672418
  H     12.61868778      8.39105567    -16.54035804
  H     15.11912352      7.28875455    -10.36686864
  O     18.84354615      9.50556418    -16.04550510
  H     13.77368457      7.35429573    -16.47193188
  H     11.39720910      6.29083924    -13.66288504
  O     15.16436833      6.85384887    -17.55406713
  H     11.65828585     11.14992625    -10.10062841
  H     12.39206019      7.19495512    -14.42326297
  O     18.99898548     10.27075751    -13.45470161
  H     13.02491855     10.43947173    -10.16060254
  H     17.41129792     13.04600937    -13.71995827
  O     16.37913673     10.80754903    -16.45474741
  H     13.46968825      6.80696211    -12.28071444
  H     18.58748138     13.70358173    -12.95965115
  O     14.72606071      9.63190328    -14.55700841
  H     14.99830223      6.91942484    -12.41991168
  H     17.13861731      9.93783551    -11.25564797
  O     11.24506460      9.72381444    -13.19238740
  H     13.36383038     11.20637116    -12.04185462
  H     17.06843221      8.51712395    -10.66372761
  O     15.68271134      7.64514329     -9.65622420
  H     14.21042908     10.78436003    -13.29434264
  H     14.93242860      9.33888989     -9.38974416
  O     12.02808970      6.99711930    -13.54359870
  H     17.01694207      7.16677611    -15.03375193
  H     15.25341970     10.78982235     -9.80519352
  O     18.04491192     12.92038774    -12.99016518
  H     17.90986594      7.86567455    -16.07035166
  H     13.89992616      9.74309943    -18.20206277
  O     17.53291386      9.05455802    -11.31668302
  H     19.69297125      9.65819715    -16.45065431
  H     14.98413956      8.64875269    -18.21539164
  O     14.57818682     10.23747585     -9.39152633
  H     18.93407426      9.74615601    -15.10566429
  H     13.07009549     14.19915956    -14.08237590
  O     14.84015899      9.59229165    -18.36059360
  H     15.96277957      6.92322125    -16.99926434
  H     13.67078345     12.81206283    -13.74995896
  O     13.46553063     13.42573252    -14.47772538
  H     15.28022911      6.08543138    -18.10580797
  H     11.33291406      9.89044273    -18.19393651
  O     12.07534744      9.77637407    -17.60755911
  H     18.67275131      9.76931751    -12.69835915
  H     11.93811961     10.38730003    -16.85934077
          69
 Energy    -248.78100766726038     
  O     -7.35660956     -2.78768840      5.67736442
  H     -6.74167233     -2.09506192      5.94259855
  H     -2.79061934      1.83676191      3.20856667
  O     -8.81782276     -2.74016134      2.25206360
  H     -8.24434610     -2.40700966      5.74818420
  H     -6.46938764     -1.10098783      3.03885742
  O     -6.96011911     -4.37163286      3.55492279
  H     -8.38841908     -1.92798715      2.56575633
  H     -7.20595245      0.12769249      2.41985890
  O     -4.71068065      1.08889116      0.76454487
  H     -8.28683169     -3.46378311      2.60716524
  H     -5.11866708     -0.85235152      7.30687995
  O     -5.83665438      5.19876998      2.85438715
  H     -7.09409837     -3.83935912      4.36386821
  H     -4.71435298     -1.02450554      5.82266568
  O     -9.64362992      0.87979776      0.17909487
  H     -6.82455575     -5.27170154      3.83550749
  H     -1.22218057      3.91563695      3.47154239
  O     -9.84687839     -1.55462977      5.69440925
  H     -4.78565713      0.20917017      0.37922196
  H     -2.70652403      3.87884894      3.91397156
  O     -3.54370877     -1.36405203      4.57888716
  H     -5.62239597      1.36779723      0.94837352
  H    -11.20135800     -0.51400789      2.74790040
  O     -4.08831789      3.86472919      1.22901752
  H     -5.26757674      4.74140538      2.21003683
  H    -10.34441177      0.66011774      3.25468035
  O    -11.31389398     -2.31956549      3.30946286
  H     -5.99331277      6.07375757      2.50963920
  H     -5.20151866     -2.24759809      1.64560987
  O     -5.37912296     -1.56724330     -0.10264785
  H    -10.24398312      1.31111467     -0.42258605
  H     -5.71949032     -3.18410874      2.79623099
  O     -3.36512168      1.06185570      3.21017499
  H    -10.14547355      0.69323736      0.99389061
  H     -8.63436404     -0.70909950     -0.17858175
  O     -7.28138103     -0.58180565      3.07131150
  H    -10.45580361     -1.84805711      5.00728266
  H     -8.42324932     -2.05530289      0.53864082
  O     -5.44301825     -0.76065577      6.41392693
  H     -9.67680321     -0.62162386      5.50903174
  H     -8.69003952      1.80602922      4.46929800
  O     -2.07706728      3.56426236      3.23992341
  H     -3.29129600     -0.53648583      4.14726054
  H     -8.40528922      0.32276875      4.17812156
  O    -10.88362308      0.36458716      2.50853351
  H     -4.01907064     -1.85980084      3.89721446
  H     -4.69951743      4.73253782      4.34746102
  O     -5.17705421     -2.41003184      2.59665538
  H     -4.23913926      2.97060630      0.90015682
  H     -4.51223536      3.46146028      5.19606496
  O     -8.09554935     -1.50900804     -0.18797855
  H     -3.29735801      3.81340843      1.78128414
  H     -4.69756190      1.48885497      4.39733934
  O     -9.05866880      0.92155725      4.57460172
  H    -10.47038801     -2.55849069      2.88804804
  H     -5.51320639      0.96525673      5.60267666
  O     -4.07759943      4.28424361      4.93457982
  H    -11.92257873     -3.03247356      3.13527010
  H     -8.11128821      1.53622201      0.95863621
  O     -5.35187407      1.74726343      5.06268711
  H     -5.05992698     -1.99925513     -0.89095984
  H     -7.43538097      2.23311754      2.19939187
  O     -7.27739226      1.67782637      1.42323210
  H     -6.34876783     -1.52318714     -0.18305635
  H     -7.01666743      3.91511045      3.52456120
  O     -7.42019513      3.08711684      3.81232022
  H     -3.79219315      1.01927117      2.34334289
  H     -6.72810952      2.60048368      4.28878123
          69
 Energy    -248.78086603541385     
  O     17.20501656     11.33748114    -15.78623569
  H     16.27353593     11.21986221    -15.56619944
  H     13.90671838      4.26636835    -17.25087788
  O     14.18515755      6.64282189    -15.09360264
  H     17.45666542     10.59641144    -16.35522019
  H     18.86344331      5.69553915    -13.97759434
  O     18.54619264      7.35590763    -11.33127232
  H     13.91628040      6.64311777    -14.16701159
  H     17.46498188      5.24468441    -13.45711736
  O     17.91362815      6.90208198    -18.84194661
  H     15.05271331      7.07915933    -15.10801381
  H     18.08939991      8.33869525    -17.69717257
  O     15.06049606      7.34508363    -18.69492545
  H     17.82593232      6.74396617    -11.55110988
  H     17.48827041      8.49748728    -16.28245660
  O     14.65055552      9.22888342     -9.71767667
  H     19.28010471      7.14442466    -11.92119454
  H     16.92393890      8.36831905    -14.15228075
  O     14.01362225      7.02769259    -12.38448251
  H     17.81231997      6.17346791    -18.20279971
  H     17.18309833      6.92615940    -14.68596350
  O     17.39986278      9.46103762    -12.71808574
  H     18.39081557      6.54968363    -19.58785151
  H     13.85962642     11.67414042    -15.30545044
  O     17.43040126      4.95013048    -17.01410699
  H     16.00875477      7.30222489    -18.86170431
  H     14.21500833     10.23037021    -15.72101195
  O     13.26867168      6.89453267     -9.66205006
  H     14.83294184      6.48598517    -18.31913191
  H     14.89706413      5.93224286     -9.30284757
  O     20.10441904      8.89279962    -14.99296747
  H     15.56494038      8.99878178     -9.51097427
  H     16.31048183      6.44843495     -9.00681915
  O     14.59580973      4.91939869    -17.16203438
  H     14.63951584      9.56631640    -10.62287489
  H     13.70133197      8.14358727    -16.14660321
  O     18.00434272      5.35094601    -14.25363777
  H     14.20478415      7.97473292    -12.45492290
  H     14.25412493      8.53212087    -17.51838337
  O     18.06203072      8.92843892    -16.93498757
  H     13.63243133      6.88301365    -11.51079942
  H     21.23481390      6.41576185    -13.43501426
  O     16.69683694      7.74512366    -14.85365008
  H     17.88269856      8.81371794    -12.18973176
  H     20.28370132      7.50522906    -13.98727068
  O     14.43610119     10.94359136    -15.09446840
  H     18.02184043     10.13285262    -13.02385821
  H     16.29213849      5.43517924    -11.01146268
  O     15.82223763      5.65659894     -9.26250354
  H     17.67086408      4.95547338    -16.07985660
  H     15.64909890      6.11511411    -12.23062963
  O     13.82323587      8.89951658    -16.73426350
  H     16.47391068      4.81717134    -17.05083902
  H     17.83830808      8.47117109     -8.32921838
  O     20.33555807      6.73032258    -13.39807661
  H     12.45307463      6.94686418     -9.17171827
  H     17.82364754      7.93418928     -9.77572610
  O     16.44502307      5.64797569    -11.94386609
  H     13.69190063      7.77086466     -9.60293108
  H     15.67714883      9.69535307    -12.52175071
  O     17.25640161      8.17976698     -9.02753537
  H     19.94461206      9.75441768    -14.59045853
  H     14.47870283     10.18688233    -13.34855673
  O     14.70795852      9.73999143    -12.52528275
  H     19.51564672      8.85781222    -15.75899468
  H     19.45760399     12.19594498    -13.71678343
  O     19.10287921     11.32892673    -13.88929359
  H     14.36824763      5.46437704    -16.38888509
  H     18.43216616     11.43075772    -14.59156407
          69
 Energy    -248.78072215496564     
  O     16.28519535     12.69193607    -16.54762273
  H     15.98123908     13.55900053    -16.80279225
  H     15.38787109      4.94777484    -15.65823536
  O     15.29173831      6.23041408    -14.33690154
  H     15.53173213     12.24885655    -16.11955994
  H     19.15876379      5.56245600    -12.98064299
  O     17.86507894      8.32974200    -11.57921551
  H     15.66015935      6.03167694    -13.46630049
  H     17.77091435      5.02886543    -12.57078633
  O     18.65281136      6.17417574    -16.95946830
  H     15.90226296      6.85119257    -14.76152813
  H     20.47421068     10.54509989    -17.51211960
  O     16.20959793      5.97726588    -18.51907535
  H     17.68823271      8.95526926    -12.30055022
  H     18.95709507     10.31140006    -17.34682433
  O     15.59338632      9.30913226    -10.26901522
  H     18.71483765      7.93298918    -11.80471273
  H     16.44987333      8.32070948    -16.34627574
  O     13.32287945      8.07851592    -13.79326988
  H     18.60774096      5.31937552    -16.50815795
  H     17.67843602      7.45735573    -15.94482615
  O     17.34045038      9.94166743    -13.70063136
  H     17.95992384      6.16037965    -17.62978339
  H     14.29691018     11.15348394    -14.43564140
  O     18.33162843      3.75729210    -15.56054606
  H     16.09080293      5.49519881    -19.33317222
  H     13.76385505     10.65333574    -15.79189113
  O     13.93052438      7.08166176    -11.04185600
  H     15.94518416      5.37954573    -17.79599277
  H     13.03337973      8.59620212    -15.48052362
  O     20.23999217      7.88522048    -15.40293757
  H     15.76653845      9.67891217     -9.40652621
  H     12.09809005      8.91929754    -16.66477984
  O     15.68021697      4.39297933    -16.39519487
  H     16.44322155      8.97965775    -10.60372855
  H     21.05558793      7.14531406    -12.47123101
  O     18.55173576      4.82212893    -13.10067030
  H     13.96279451      7.37356501    -13.97881478
  H     20.18302936      7.46968929    -13.70248478
  O     19.81157526     10.27498239    -16.88084665
  H     13.81878710      8.83567396    -13.44829777
  H     15.47787299      6.15902174    -11.41796714
  O     16.97207179      8.01249092    -15.59365905
  H     17.27643596      9.28072369    -14.40537120
  H     16.87643704      6.75779635    -11.69265820
  O     14.21008470     11.39395607    -15.36719525
  H     17.81264714     10.70881573    -14.05022397
  H     16.99131231     11.33926854    -17.64018133
  O     13.00931483      8.95497336    -16.38353238
  H     18.79989744      2.92719894    -15.57604758
  H     16.68742394      9.90923924    -18.12833983
  O     20.15249127      7.16485732    -12.77808676
  H     18.40269991      4.10146232    -14.65150014
  H     15.67609877     10.21576563    -13.19942899
  O     16.35124176      5.94977178    -11.77867085
  H     14.36404410      7.86787679    -10.68525173
  H     14.88246030     10.12908996    -11.88858889
  O     17.38780729     10.57103859    -18.07168001
  H     13.48671574      7.36536239    -11.84819050
  H     17.83545463     12.35866300    -15.48986745
  O     14.77810371     10.27513562    -12.83451682
  H     19.88884088      7.23397608    -16.02390259
  H     19.11978759     11.50861739    -15.59221177
  O     18.57645733     12.01422153    -14.97399680
  H     20.12218696      8.74176077    -15.83258124
  H     14.54153293      8.63774667    -17.42503968
  O     15.41984679      8.58116776    -17.82200888
  H     16.52351166      4.01827959    -16.11136513
  H     15.56262843      7.67967726    -18.14154981
          69
 Energy    -248.78058430911017     
  O     21.88474580     11.58020609    -16.62179824
  H     21.92752683     12.55173021    -16.57125891
  H     18.07975717     17.40036864    -17.83071098
  O     15.08036813     16.00078839    -15.54593760
  H     22.77353007     11.27585922    -16.78608830
  H     14.53176698     11.63278306    -14.16135047
  O     21.16133730     15.60423557    -14.06692654
  H     15.49314982     16.35657315    -16.34202780
  H     14.98526962     10.15787929    -14.35403748
  O     14.92865607     13.38419481    -14.72536925
  H     15.59675850     16.31968181    -14.79757693
  H     18.08981756     16.70480510    -14.28205166
  O     17.77993611     10.55864201    -16.76528524
  H     21.64034840     16.18365862    -13.48066645
  H     18.53771717     15.88812096    -15.52178520
  O     16.39042808     11.16892113    -11.71338319
  H     20.36448521     16.08393709    -14.35280323
  H     16.78383837     12.88640233    -12.26854003
  O     16.11404120      8.86530273    -15.25135838
  H     14.80091449     14.28323528    -15.06456923
  H     17.83864678     13.58314426    -13.16655164
  O     21.96015627     14.29995376    -16.49013774
  H     15.62582710     13.45439085    -14.06028856
  H     18.72246634      9.78825433    -13.75792427
  O     21.11955143     16.12028383    -18.51284764
  H     17.16740753      9.90555116    -16.40466225
  H     17.59674593      9.97876256    -12.70583492
  O     19.37336729     13.42440913    -14.07420485
  H     18.47428725     10.66760198    -16.10078364
  H     16.14822035     13.88608661    -18.62749101
  O     19.79062410     11.52367682    -18.57233358
  H     15.69420739     10.99182595    -12.37316783
  H     17.38027455     14.43844470    -19.36202020
  O     18.99911317     17.55565047    -17.57840408
  H     16.05885508     10.85970383    -10.87437762
  H     16.27439024     16.12397957    -18.48298641
  O     14.61420642     10.77888508    -13.71551256
  H     16.77953187      8.93432741    -14.54221178
  H     15.65088277     17.53671997    -18.50907556
  O     18.78242556     16.63449095    -14.94969901
  H     15.89380974      7.94132108    -15.33586795
  H     16.26483669     16.85574835    -12.38511437
  O     16.96917085     13.69904836    -12.75596978
  H     21.78648394     14.75902297    -15.66039069
  H     16.73151464     15.47856820    -12.90769449
  O     17.97551473      9.34823708    -13.32928950
  H     21.73587076     14.92209332    -17.19313109
  H     20.60564065     10.93230097    -15.40758036
  O     16.43077188     14.58033874    -19.23867045
  H     20.37595461     16.67475266    -18.21552910
  H     19.68368057     11.71374488    -14.45734242
  O     16.23733323     16.97450614    -18.00861617
  H     21.64301284     16.65818508    -19.10097583
  H     18.71968048     14.32868269    -17.27361024
  O     16.66537557     16.42138434    -13.13411766
  H     19.02493805     13.66016071    -14.95031986
  H     17.43908594     13.88589652    -16.56266050
  O     19.83187101     10.83589075    -14.83886938
  H     20.07742432     14.05505913    -13.88693062
  H     19.95409962     14.71584043    -19.06381138
  O     18.28488600     14.32605139    -16.41168968
  H     20.54338108     11.46363235    -17.97162918
  H     19.46600484     13.21840177    -18.99790254
  O     19.18068138     14.14287884    -19.06626773
  H     19.05114238     11.10334276    -18.11575968
  H     15.58977908     12.85171695    -16.33311245
  O     16.10108040     12.74951633    -17.14642109
  H     19.00403375     17.48194590    -16.61543273
  H     16.64683423     11.95616534    -17.05812346
          69
 Energy    -248.78055240038776     
  O     12.07324501      9.15691349    -15.38189913
  H     12.48149469     10.03002185    -15.39091290
  H     15.67566415      4.82989532    -15.16722443
  O     16.13460962      6.02539103    -12.35103063
  H     12.73077749      8.55708270    -15.76183153
  H     19.35662516      8.52166585    -12.74085661
  O     16.24563213     10.60682461    -10.89918096
  H     16.66013449      6.65785752    -11.84017144
  H     20.64819099      8.33023951    -11.91219714
  O     18.50804252     11.29324524    -14.88045084
  H     15.30324623      5.94435074    -11.86587479
  H     16.83159547     11.17682589    -15.78818607
  O     13.79112242      4.77964205    -15.40817234
  H     16.56243237      9.69138546    -10.89388422
  H     16.15616969     10.19345602    -16.77333669
  O     14.35394014      9.51389227     -9.06426176
  H     15.59244871     10.66323013    -11.61267778
  H     16.69654395      8.44251666    -14.15341499
  O     13.89139538      6.28396699    -10.72230359
  H     18.52693046     11.39936748    -13.91263566
  H     15.76431622      7.43820586    -13.44874950
  O     14.40196914     10.35410491    -12.92306060
  H     19.12487180     11.92689304    -15.23803480
  H     11.32863513      8.38151825    -14.03520957
  O     18.21060561      6.64546508    -16.34328169
  H     13.34603037      5.00486365    -14.57149646
  H     10.00982806      7.94795524    -13.35169087
  O     15.65710383      7.18375832     -8.57278401
  H     13.29226969      4.06735917    -15.79908167
  H     18.20741549      8.10154791    -10.83380562
  O     18.58352651      8.54796547    -14.35760284
  H     14.98251787     10.07839908     -9.53289773
  H     16.99910729      7.66572625     -9.88560367
  O     16.58888222      5.00924975    -14.91299906
  H     13.65013376      9.32962116     -9.70034433
  H     11.94918388      6.29835401    -13.20826510
  O     19.74358447      8.62618826    -11.85345678
  H     13.51948581      7.15727203    -10.92094828
  H     12.92499990      5.60041571    -12.24189185
  O     16.01396948     11.00670856    -16.26730043
  H     14.43024320      6.40153084     -9.93234457
  H     19.14951107     10.51518503    -11.93149697
  O     15.76839150      8.23622155    -13.99337432
  H     14.06039823     10.89656934    -13.64250263
  H     17.81644730     11.23879534    -11.68028649
  O     10.95852748      7.90625271    -13.26883136
  H     14.87932438      9.61716844    -13.33584150
  H     14.72723319      7.75947160    -15.41693186
  O     17.25349864      7.97769493    -10.76296951
  H     17.62496632      6.03690386    -15.85700895
  H     13.99265613      6.53598464    -16.01917226
  O     12.53875744      5.53802766    -13.12307064
  H     18.77256174      6.10371678    -16.89070504
  H     13.31907940      9.37191867    -11.86416969
  O     18.64971658     11.30501366    -12.16690247
  H     15.17726919      8.02930564     -8.64888982
  H     12.03609207      8.52000520    -11.86929867
  O     14.15571390      7.47767840    -16.14806393
  H     15.65854565      6.95241572     -7.64806013
  H     14.44460089     11.39676366    -15.68884770
  O     12.78025504      8.78384677    -11.31465254
  H     18.61224033      9.44869606    -14.70846575
  H     13.32329270     12.45809839    -15.58902417
  O     13.57580917     11.58956417    -15.28926372
  H     18.56474362      7.92231366    -15.09436251
  H     17.02597597      7.91622022    -17.22440662
  O     16.35444668      8.54470354    -17.51074023
  H     16.54732612      5.23930846    -13.97446371
  H     15.51238329      8.15034061    -17.24286036
          69
 Energy    -248.78030403279223     
  O     14.06693212      9.01740839    -10.76475330
  H     14.01514620      9.77168877    -11.37051386
  H     17.90439065      4.36858316    -12.85135943
  O     13.00295276     10.61683867    -16.33314071
  H     13.33771571      8.43206949    -11.00483983
  H     18.40579911      8.03458345    -15.25556905
  O     16.68262376     10.87382316    -13.54231645
  H     12.95843534     11.41982690    -15.79955224
  H     19.07718212      7.76862815    -13.89782295
  O     13.49183325      5.29680415    -13.01492016
  H     12.85965579      9.88114972    -15.72366468
  H     14.28423163     12.95414901    -14.96823235
  O     17.53182104      7.13810802     -8.28860213
  H     15.76051496     10.83831282    -13.25114023
  H     13.03323805     13.80589402    -14.63884684
  O     15.91894372     12.70411509    -15.54637658
  H     17.22667471     10.89812574    -12.74696401
  H     13.74440227      8.05556026    -14.50306977
  O     16.01732450      7.39169682    -11.96818639
  H     14.13533905      4.97388137    -12.36613627
  H     12.51623547      8.23042531    -13.57779843
  O     13.97211611     10.81138930    -12.87471085
  H     14.00821501      5.66041856    -13.74237549
  H     15.39234401     10.67149744    -18.46262831
  O     18.67075480      8.19726637    -12.11970848
  H     18.11370757      7.21915095     -7.53702184
  H     14.55117425     10.60777516    -17.16461344
  O     18.11569133     10.78073670    -11.11485715
  H     18.06103729      6.74582167     -9.00731850
  H     12.53445729      6.55055640    -12.28186273
  O     17.58995681      5.18347767    -14.34100506
  H     15.88128007     12.12281428    -16.31626202
  H     11.19725825      7.07100508    -11.70250706
  O     18.02449819      3.95755296    -11.97536504
  H     16.35054930     12.18792454    -14.85160293
  H     14.69582051      5.61819214     -7.82330155
  O     19.05363872      7.46875352    -14.81732169
  H     15.39896443      7.97773871    -11.51552477
  H     16.08210674      6.02565001     -8.34918241
  O     13.37221902     12.91536771    -14.62659240
  H     15.87597534      6.49859463    -11.62529261
  H     15.40486763      4.88646588    -10.19921042
  O     12.99622742      8.63699732    -14.30951404
  H     13.68578750     11.61709622    -13.32228018
  H     16.33205578      4.36222986    -11.35337097
  O     15.45930812     10.66483463    -17.51166568
  H     13.64378399     10.07205266    -13.40820789
  H     18.72374195      5.31589872    -10.83626626
  O     12.07716533      7.34385002    -11.94845692
  H     18.67486230      9.10147933    -11.78734337
  H     19.03637410      6.82219431    -10.95914783
  O     15.34334030      5.41510719     -8.49388878
  H     17.74307136      7.91228515    -12.10322414
  H     15.53765388      7.13364296    -13.65719110
  O     15.48136183      4.77531350    -11.15775526
  H     18.62060977     11.46184147    -10.67918114
  H     15.79419181      7.62449816    -15.09778622
  O     18.95659644      6.09766399    -10.32243021
  H     17.51839070     10.39941954    -10.44654311
  H     16.78005490      8.74691695     -8.97405472
  O     15.26668004      6.99860415    -14.58038551
  H     18.22268973      5.88538274    -14.55918621
  H     15.55563646      9.40758989     -9.65718454
  O     16.45118516      9.57779646     -9.33889799
  H     16.73111460      5.55119084    -14.56461020
  H     16.83242421      9.64050140    -14.88987427
  O     16.79996844      9.03367016    -15.64413889
  H     18.44192076      3.11351425    -12.12377456
  H     16.42453563      9.53100274    -16.38030851
          69
 Energy    -248.78026706832318     
  O     12.12589612      8.52154542    -15.75553871
  H     11.22646640      8.74821726    -15.97606656
  H     16.83360964      6.93337014    -17.85579274
  O     16.82485017      7.34573702    -11.94873174
  H     12.37229484      9.07078374    -14.98911701
  H     16.58727795      7.02462227    -14.85447874
  O     18.65694336      7.50166861    -17.58093458
  H     16.39700159      7.48679660    -12.81017885
  H     15.04017097      7.09479261    -14.60765325
  O     13.49503651      6.14990093    -12.01672268
  H     16.62309712      6.43504100    -11.70468766
  H     13.58142855     10.56762427    -13.52421739
  O     17.63707224     12.84996134    -12.72324284
  H     19.28174265      7.51447256    -18.30058379
  H     12.82560000      9.50776175    -12.70519408
  O     15.67892496      9.63842567    -10.96325597
  H     18.68177125      8.38590849    -17.17151141
  H     21.12916263      9.55674442    -10.85609949
  O     15.95819593     10.08166631    -15.55125455
  H     13.36659555      6.12157418    -12.97551101
  H     20.02577923      9.03050255    -11.79750858
  O     16.53938038      4.20728693    -14.36329407
  H     14.26757120      5.60170679    -11.83984818
  H     12.34750956      8.57670366    -10.39293046
  O     17.92950257     11.29587622    -10.52932146
  H     17.74735844     12.38573943    -11.87251982
  H     13.20668042      7.71904911    -11.35188748
  O     18.30623696      6.22180677    -15.12726177
  H     17.81430962     13.77278785    -12.56280083
  H     19.06760438     10.29457092    -15.57584580
  O     15.95096749      4.69097194    -11.75942681
  H     16.13760235      8.82671933    -11.22522290
  H     17.66452278     10.03430890    -16.13906823
  O     15.91969848      6.63280732    -17.83827515
  H     14.75658315      9.38282021    -10.83696768
  H     19.02816642      8.91714294    -13.56661136
  O     15.87570852      7.56174024    -14.48269353
  H     15.71747255     10.64946243    -14.81042462
  H     18.38761779      7.82115274    -12.65179852
  O     12.84277737      9.94828440    -13.56358358
  H     15.91177383      9.17693089    -15.20290433
  H     18.76496363     11.57626385    -13.56763775
  O     20.29600450      9.79059125    -11.25785544
  H     15.91568277      4.21262453    -15.09861062
  H     19.91175924     10.73218037    -12.99486272
  O     13.05140074      8.62719189    -11.03405341
  H     17.27382387      4.77471763    -14.63722963
  H     15.20115503      5.28711807    -17.07601068
  O     18.60522464      9.87764282    -16.31107744
  H     18.70900221     10.73707258    -10.63151186
  H     14.49741726      3.91702810    -17.22962269
  O     19.19135506      8.06718905    -13.13697594
  H     17.15773720     10.71291526    -10.52040631
  H     15.98249125     12.02766388    -13.09025762
  O     19.39647066     10.88151682    -13.79520805
  H     18.51321448      6.56285609    -16.00731834
  H     15.42455515     10.75639286    -12.42699694
  O     14.75577184      4.57043480    -16.58580733
  H     18.77370066      6.77708240    -14.49082931
  H     14.90322192      9.46843156    -16.96518424
  O     15.28463867     11.36601332    -13.16581801
  H     16.14206681      4.47085904    -12.68937941
  H     13.53537886      8.78235834    -17.03387366
  O     14.35961869      8.89375837    -17.52138431
  H     16.12807902      3.90464662    -11.25076571
  H     12.90474121      6.94202273    -15.22017242
  O     13.42095841      6.24453253    -14.79435928
  H     15.36364099      7.42628193    -17.80636311
  H     13.72611745      5.62276391    -15.46749530
          69
 Energy    -248.78014477223590     
  O     15.51658842     11.53228071     -9.50651896
  H     15.81918662     12.04175924     -8.75976074
  H     14.21859142      7.81327495    -13.89819378
  O     12.23176278      6.23131409    -11.86139355
  H     16.13518128     10.78647161     -9.60778343
  H     15.54708066      5.09170319    -15.82198748
  O     17.33916121     10.24149804    -14.86736709
  H     12.82131050      5.52394530    -12.14553825
  H     14.65338849      6.01224441    -14.93411671
  O     17.58636547      8.80854556    -12.50422122
  H     12.66985988      6.63693517    -11.09867823
  H     16.81030714      5.92584329    -14.16097953
  O     16.27455066     12.78982340    -14.33228285
  H     16.59311793      9.86144743    -15.35120991
  H     18.07372210      6.74608472    -14.49324287
  O     13.77513176      7.54562971     -9.99188215
  H     17.10608818     11.16302741    -14.69893907
  H     14.54461050      8.11413727    -11.58376916
  O     15.13489909      9.24395015    -16.37686513
  H     17.57831488      9.40222042    -13.26786373
  H     15.78989339      8.64991579    -12.36731105
  O     13.93081457     11.48333783    -15.37905467
  H     17.67601612      7.91168785    -12.85509405
  H     13.84246990     10.69555261     -9.63893974
  O     16.24512228      5.12772955    -17.47703380
  H     15.82744668     12.71866835    -13.46901936
  H     12.79558944     10.38732851    -10.72722639
  O     11.29414307      8.18833461    -13.49006941
  H     16.54632862     13.69848408    -14.42780908
  H     14.57408427      4.50774296    -13.45324552
  O     16.53050868      5.40650978    -11.28798764
  H     14.57271513      7.33300306     -9.49414948
  H     14.07108921      3.32514089    -12.59544217
  O     13.76349305      7.53537361    -14.71047973
  H     13.49517819      8.44687237     -9.77054372
  H     13.69435354      9.86487587    -12.65170604
  O     15.23348643      5.23615458    -14.91918351
  H     14.65070402      8.57827670    -15.86872107
  H     12.20911818      9.84268952    -13.03339160
  O     17.60310679      6.31154545    -13.76646278
  H     14.68195775     10.08190591    -16.20319183
  H     16.44795135      6.30318363     -9.81109268
  O     14.83564209      8.52016588    -12.40998765
  H     14.66440398     12.04512426    -15.09847063
  H     16.62936210      6.32175838     -8.27447926
  O     13.04283478     10.18280121     -9.81977348
  H     13.49096138     11.19693168    -14.57064119
  H     16.93767794      8.56579729     -9.46166595
  O     14.22570742      4.26679440    -12.57784782
  H     16.40758187      6.04237724    -17.75223094
  H     17.46532940      9.26593899    -10.73050938
  O     12.92481811     10.44245113    -12.79029757
  H     16.94202020      4.60743297    -17.87107021
  H     16.88138873      8.29889867    -18.87915346
  O     16.31879646      6.84309011     -9.00965067
  H     10.36613335      8.05534743    -13.66274453
  H     16.13809861      8.36916323    -17.52701226
  O     17.16791589      9.42928877     -9.82484898
  H     11.56874041      7.47920735    -12.87904156
  H     15.12996451     12.19644443    -11.19045917
  O     16.74402383      7.82706592    -18.06156640
  H     15.72629528      4.99240939    -11.62340634
  H     14.07090189     11.91232397    -12.27837077
  O     14.84711037     12.44843908    -12.07864656
  H     17.04766014      5.65303836    -12.06453326
  H     18.11020116      7.77801437    -16.66030823
  O     18.60568326      7.86476842    -15.83808259
  H     12.82876310      7.69346760    -14.54070968
  H     18.41157923      8.75689088    -15.52248238
          69
 Energy    -248.77960684395003     
  O     14.76292005     12.06761817    -14.12087076
  H     15.48878674     11.62212425    -14.58151933
  H     18.29341635      5.13850916     -9.59734827
  O     15.45673507      6.05500119    -14.22680455
  H     15.04908140     12.16312367    -13.20592147
  H     18.20111567      9.93280990    -11.32927332
  O     13.92430281      7.21821560    -10.20165808
  H     14.53125237      6.24411407    -14.43599330
  H     18.58267543     10.94129563    -12.40937061
  O     16.19452376      8.70842252    -17.38965229
  H     15.46968783      5.68376687    -13.33491300
  H     15.87329124      7.73963127    -13.64814433
  O     11.42561925      6.90666996    -11.28918314
  H     14.12307845      8.10525037    -10.53431554
  H     16.85860634      8.42737662    -12.65865718
  O     12.80423766      6.77933773    -14.58874221
  H     13.00463049      7.03334361    -10.44041242
  H     13.32114810     11.34741267    -14.73616952
  O     14.36588133      9.63899697    -11.44380077
  H     16.20278469      8.81437986    -18.33698000
  H     11.98323634     11.55949112    -15.48257604
  O     19.61915123      7.68066597    -14.05346444
  H     15.25884122      8.65709366    -17.12223216
  H     14.17270437      3.91922885    -11.95519376
  O     11.38152653      4.76159333    -13.22203393
  H     11.30857529      6.15282939    -11.87872820
  H     13.92097823      2.47293273    -12.41000921
  O     18.28085024      8.01981962    -11.62182216
  H     11.47353082      7.68401934    -11.86236023
  H     13.26677140      9.44947179    -16.12547052
  O     17.65397142      6.87005686    -15.75322632
  H     12.26096022      6.05492619    -14.25700359
  H     13.29519822      7.91379596    -16.01016741
  O     17.68981523      5.72629532    -10.04413578
  H     12.61174180      7.54433423    -14.02651654
  H     15.11139908      6.94789242     -8.88243346
  O     18.11916178     10.86458072    -11.56251955
  H     14.69550338     10.52738741    -11.26931109
  H     15.77265103      7.36191138     -7.55583202
  O     16.09868128      8.58286103    -13.23708878
  H     14.95478962      9.27143608    -12.12347743
  H     14.80748498      5.92915150    -11.13722043
  O     12.54279798     10.88836640    -15.10136177
  H     20.43964782      7.30542325    -14.36211648
  H     16.20174404      5.25980513    -11.11607731
  O     13.48376142      3.30711419    -12.25774767
  H     18.93173195      7.39546770    -14.68149455
  H     18.45147811     10.66800174    -14.59262330
  O     13.62779289      8.65319198    -16.53411542
  H     12.09225027      4.19017256    -12.88424141
  H     19.50709958      9.66335476    -14.11719265
  O     15.88649852      6.79793228     -8.31632668
  H     10.63596893      4.19630358    -13.40665131
  H     12.14501704      9.68580705    -13.73768278
  O     15.34384356      5.23868166    -11.55475903
  H     18.17165776      7.21827941    -11.09885817
  H     12.88096211      9.30188619    -12.43795365
  O     19.27221119     10.59739183    -14.08483418
  H     18.84784140      7.81685493    -12.38026437
  H     15.80584346     12.87367527    -10.86325542
  O     12.17381479      9.02238040    -13.03706063
  H     17.23536141      7.47061991    -16.38170139
  H     16.59408806     11.67853191    -11.44505595
  O     15.71113156     12.08908939    -11.39594957
  H     16.92639557      6.43123815    -15.29143195
  H     16.50560946      9.79559639    -14.51979976
  O     16.71488873     10.43134452    -15.22228125
  H     17.11222325      6.10997478     -9.35960030
  H     16.60090384      9.95746901    -16.05393344
          69
 Ord_Energy   -248.779327    
 O   -5.35522652      -1.38261223       4.71219063    
 H   -4.54912376     -0.855093181       4.86560535    
 H   -5.87290049      -1.32623208       5.51158381    
 O   -3.18955708      -1.59514880       1.71390116    
 H   -2.73171496      -1.98269689       2.46925068    
 H   -3.91327834      -1.03949332       2.02662134    
 O   -4.48267460     -0.520222902      -1.96062553    
 H   -5.22164059     -0.648478687      -1.35743737    
 H   -4.00122595      0.261532217      -1.65636873    
 O   -6.53118038      -1.51051557      -5.51263690E-02
 H   -5.91569376      -2.26375508      -3.68348397E-02
 H   -7.36460066      -1.84210360     -0.379658580    
 O   -3.10092854      0.106288977       4.97420597    
 H   -2.19145775     -0.210097939       4.99778509    
 H   -3.04522324      0.984053791       4.57302904    
 O   -3.60811353       4.84038782      0.854905128    
 H   -4.07257175       4.00800562       1.01716363    
 H   -3.01179290       4.66723108      0.115579918    
 O  -0.279613525       1.16257238       2.45469618    
 H  -0.535943568      0.642359972       1.67897618    
 H  -0.160981238      0.544081926       3.18627572    
 O  -0.111291707       3.73583484       1.28030038    
 H   -2.69866991E-03   2.86339211       1.68084669    
 H  -0.582688391       4.27258253       1.92940855    
 O   -4.51992798      -3.35871530       3.35347913E-02
 H   -4.07925940      -3.36517334     -0.825104356    
 H   -3.98419714      -2.79143977      0.611798763    
 O   -1.95538712       5.12991762       2.99865413    
 H   -2.00444221       5.98842621       3.40923262    
 H   -2.58747029       5.13378239       2.25705981    
 O   -3.17830062      -2.85688543      -2.38579798    
 H   -3.25621247      -3.11546898      -3.29988980    
 H   -3.60342431      -1.98363328      -2.30315280    
 O   -3.82603908      -3.84852028       4.49608707    
 H   -3.97143722      -4.36359596       3.68728042    
 H   -4.46823120      -3.13103747       4.50886440    
 O   -1.57468486       3.99477148     -0.998376966    
 H  -0.984883368       3.88546634     -0.230679974    
 H   -1.07797623       4.46481276      -1.66241193    
 O   -3.01476932       1.59448338     -0.864264846    
 H   -2.52368903       2.39863348      -1.07137120    
 H   -3.51121807       1.77824342      -5.23058102E-02
 O  -0.335487753     -0.678646863       4.59854078    
 H   0.283673644     -0.901665986       5.28874969    
 H  -0.667011619      -1.51958334       4.23532009    
 O   -3.76725078      -5.18165731       2.04496741    
 H   -4.19194555      -4.71390629       1.31500769    
 H   -2.82423449      -5.14357519       1.84358025    
 O   -5.58471870     -0.172216386       2.21331048    
 H   -5.71678305     -0.623365283       3.05731177    
 H   -6.05330372     -0.649912417       1.51617944    
 O   -1.47615457      -2.89095688       3.58595920    
 H   -1.20185745      -3.50614619       2.89447689    
 H   -2.23861432      -3.27959323       4.04469776    
 O   -2.51231742       2.43004417       3.53672290    
 H   -1.73319888       2.00072813       3.15252042    
 H   -2.33432412       3.37817693       3.53963137    
 O   -1.27633214     -0.257809073      0.291706443    
 H   -1.94883156     -0.750334740      0.789115489    
 H   -1.76562428      0.394694567     -0.225712121    
 O  -0.974038780      -4.62149191       1.44400704    
 H  -0.294386923      -5.27641916       1.30756354    
 H  -0.942066491      -4.02446032      0.675797045    
 O   -4.35923624       2.18349695       1.48529196    
 H   -3.72178125       2.27393270       2.20839167    
 H   -4.92240286       1.43571508       1.72350276    
 O  -0.918360472      -2.88842702     -0.651804388    
 H  -0.851740301      -1.95738232     -0.402065009    
 H   -1.61268187      -2.92642975      -1.32078063    
          69
 Energy    -248.77931028439207     
  O     19.35463652      9.54417196    -15.01415420
  H     18.54402605      9.39510011    -15.51320337
  H     19.26768795      3.79909095    -14.23142172
  O     21.92832350      6.77137433    -12.06523268
  H     19.72767974      8.66751601    -14.83880264
  H     14.57531534     10.33288436    -14.09784759
  O     16.04055190      8.78844589     -9.81601124
  H     21.50885026      5.94305697    -11.76398132
  H     15.88662843      9.66441922    -13.59855266
  O     13.40771190     11.41459355    -13.23826687
  H     22.86946122      6.65483419    -11.97172368
  H     18.69367862      6.92408564    -13.22974457
  O     16.88310419      8.95429366    -16.35805689
  H     15.62323280      7.92197338     -9.91330141
  H     17.60459023      7.82420142    -12.57820546
  O     18.36930469      5.80250507    -10.17405722
  H     16.88098974      8.64585414     -9.36088685
  H     14.63033360      6.63166417    -13.35131212
  O     14.46658863      6.47281080    -10.38168427
  H     12.56204180     11.85409109    -13.26721037
  H     14.44650709      8.14901416    -13.50034030
  O     20.61241782      4.57614858    -11.31086106
  H     13.41267414     10.89792811    -12.41515747
  H     19.28549285      8.50331292     -9.47950655
  O     16.14501220      4.17042523    -10.39700883
  H     16.23423700      9.20681554    -15.67947820
  H     19.01603300      8.44254046     -7.95655897
  O     16.41681877      2.93670100    -12.78478680
  H     16.61563102      9.38881968    -17.16466926
  H     18.67923771      5.26973399    -16.04975206
  O     20.21877421      7.03457101    -14.25278729
  H     18.46085277      6.55532042     -9.58081374
  H     19.84931561      4.43318245    -16.62281251
  O     19.20817518      3.37760532    -13.36630914
  H     18.21262555      6.16876758    -11.05880072
  H     13.61966335      8.84020774    -11.72051551
  O     15.22098659      9.64341328    -14.30527609
  H     14.35304951      6.73823386    -11.30911346
  H     14.34650979      9.53654972    -10.56506068
  O     17.89406673      6.90927050    -12.68824287
  H     13.60529128      6.54605582     -9.97411050
  H     20.22176293      9.49706961    -11.39272416
  O     14.16896144      7.39241471    -12.96708062
  H     19.88854247      4.90166933    -10.76033178
  H     20.96044828      8.15122286    -11.17357205
  O     18.61772760      8.27527941     -8.80652971
  H     20.19241133      4.07819961    -12.02812297
  H     19.81389846     11.66186187    -12.70877615
  O     19.52035565      4.83299180    -15.82246680
  H     15.48120833      4.86883195    -10.35480067
  H     19.50913948     10.37567718    -13.51739921
  O     13.57922627      9.61353454    -11.14394832
  H     16.98168781      4.61613433    -10.20139954
  H     16.60432436      5.93583134    -13.44402177
  O     20.42520146      8.82229673    -10.73363438
  H     16.04780971      2.05814198    -12.76236136
  H     15.96541424      4.53115080    -13.60033831
  O     19.53921243     10.75369803    -12.61875658
  H     16.31289954      3.30856567    -11.88972367
  H     16.61227674      5.84181873    -15.53721467
  O     15.88496854      5.45072910    -13.88055908
  H     20.90375818      6.89874886    -13.58564614
  H     17.09574216      7.06537086    -16.34759718
  O     17.18396215      6.10835597    -16.27034248
  H     20.13926698      6.23781372    -14.79262559
  H     17.86038103     10.05513276    -12.26279657
  O     17.04651620      9.53756050    -12.28506907
  H     18.27509783      3.18935461    -13.21300366
  H     16.72400617      9.39785539    -11.38465151
          69
 Energy    -248.77914453182501     
  O     -1.18251893      3.89726844      2.97981608
  H     -0.63832830      3.13016706      3.19014050
  H     -0.99777473      2.22271150      0.48936089
  O     -2.84498422      5.75202730     -0.33273525
  H     -1.80871572      3.61779921      2.29653564
  H      0.51273526      4.99194741     -2.38211132
  O      3.99476248      6.26066618      0.60812538
  H     -2.81592505      6.38642012      0.39348620
  H      0.43024060      3.73509491     -3.25225638
  O      2.01234609      7.37336937      2.07497406
  H     -2.03836334      5.92488906     -0.84419850
  H      0.97812188      9.34946616     -2.30622248
  O     -0.40255872      6.17975454     -1.42123983
  H      4.16047625      5.33470419      0.81212686
  H      0.72621449      8.76000783     -0.89702973
  O      1.80734827      3.33347671     -0.34046750
  H      3.72445534      6.29512945     -0.32179599
  H     -1.34454032      1.35992900     -2.55789995
  O      0.47340579      5.28499881      1.04573132
  H      2.05676365      7.06526423      2.98746192
  H     -1.02052953      0.86666459     -1.12815422
  O     -2.29201979      7.64526136      1.75552052
  H      2.80118517      7.05924934      1.60347213
  H      1.86584877      2.94783660      3.44389908
  O     -1.01830882      6.48304409      3.87565826
  H     -0.09418833      5.93141405     -0.53491764
  H      3.09862314      3.62321641      2.81496526
  O     -2.57335957      3.19375732      0.72648842
  H     -0.00927331      7.03595065     -1.63264534
  H     -3.34960659      4.66964284     -1.88987922
  O      0.13880517      8.87575170      0.71964856
  H      1.40533908      4.04048718      0.19020755
  H     -3.75912144      3.20090922     -2.09886609
  O     -0.22667544      1.63932920      0.43408625
  H      1.67021329      3.57460458     -1.26625813
  H     -1.38354752      2.72503874     -4.68560738
  O      1.06099349      4.31448292     -2.80971818
  H      0.99586327      6.00303832      1.42802762
  H     -1.92438690      3.31683994     -3.36656515
  O      1.00619321      8.53962748     -1.80477333
  H     -0.06381045      4.90286626      1.74765724
  H      0.29179898      1.50764279      2.15862044
  O     -1.60890753      0.72401814     -1.88052074
  H     -2.92125090      8.27220151      2.10561819
  H      0.43054873      0.77902259      3.51435394
  O      2.47050231      3.69177012      3.54479020
  H     -1.83442989      7.26330007      2.52502612
  H      2.21507619      6.23405680      5.40335767
  O     -3.36413498      3.96159862     -2.54412620
  H     -0.10812704      6.50519222      4.19042103
  H      2.02229380      5.24106100      4.23521369
  O     -1.17290643      2.84074520     -3.76183103
  H     -1.20148693      5.54578825      3.71192215
  H      4.76515977      2.84481065      0.91776476
  O      0.51860372      1.63146527      3.09515962
  H     -2.66719242      4.08360789      0.35623130
  H      3.32823383      3.30510947      0.57789851
  O      1.77501293      6.12339220      4.56473118
  H     -3.18867236      2.62591289      0.24813356
  H     -4.73035304      0.94149427     -1.08871726
  O      4.06665020      3.43082244      1.19809693
  H      0.82378665      8.46676412      1.27012669
  H     -3.22706312      1.18055348     -1.37960684
  O     -4.04584391      1.60379284     -1.06312592
  H     -0.70109275      8.50807936      1.01463410
  H      2.48568178      5.71187182     -2.43031092
  O      2.96966212      6.41423513     -1.98364796
  H      0.51382406      2.16559036      0.09792186
  H      2.38405254      7.18203204     -1.97904334
          69
 Energy    -248.77905783262523     
  O     15.36942762     12.71032116    -13.02685089
  H     15.68877513     11.92289672    -12.56604332
  H     17.93381824      5.93773000    -13.71133512
  O     17.01035362      7.73193403    -11.31495069
  H     14.44996894     12.80946765    -12.75136875
  H     16.94339349     11.47174945    -16.62427844
  O     17.73594566      8.56021753    -15.52132026
  H     16.98220820      7.68878563    -10.34763003
  H     17.53986598     10.03935345    -16.62111400
  O     13.89521968     11.23886800    -16.23317299
  H     16.27718062      7.21108442    -11.66868689
  H     14.83057093     10.07628539    -15.11477497
  O     14.07192302      8.32336784     -8.80616447
  H     18.22918437      8.31900076    -14.72696990
  H     16.09415603      9.15604311    -14.93911706
  O     11.68520460      8.26323646    -11.53391992
  H     17.57623157      7.73722755    -16.00297235
  H     12.29991612     12.10608444    -12.96883157
  O     15.81172797     10.15769552    -11.97620795
  H     14.56711975     11.92683344    -16.12962234
  H     11.98892480     13.31187868    -12.05068409
  O     14.63559330      7.04852483    -17.23031403
  H     14.10005869     10.75196836    -17.04168566
  H     11.19597263      8.37278185    -13.15491869
  O     13.25365803      6.13739856    -10.47623438
  H     13.74204775      7.55709443     -9.29231469
  H     10.13006205      8.14203305    -14.25677371
  O     17.10050096      6.10256208    -16.73357400
  H     13.77469872      9.09947205     -9.29755910
  H     18.31448310      7.65904115    -12.46614849
  O     13.53259957      7.30788514    -14.64765175
  H     12.21706678      9.01411024    -11.23603891
  H     19.81796631      7.55434029    -12.81360698
  O     17.23810256      5.32956234    -13.98740897
  H     12.10312517      7.47682053    -11.16525393
  H     15.75918955      5.72031630    -13.03198410
  O     17.16937054     10.72574720    -17.19315994
  H     15.56133675      9.90929949    -12.87993274
  H     14.44309437      6.50100387    -13.27259546
  O     15.25130536      9.41987235    -14.54643450
  H     16.32312469      9.41669891    -11.63210622
  H     17.06009729      7.92046892     -7.73227496
  O     12.62453958     12.61862608    -12.20554214
  H     14.64000315      7.94089810    -17.59618254
  H     15.78387662      8.00717368     -8.58930411
  O     11.02189805      8.44586940    -14.11277324
  H     14.14364498      7.07961702    -16.39851112
  H     14.91925608      9.82448971    -19.27894547
  O     18.94582768      7.54672002    -13.19871708
  H     13.90463169      6.06786261    -11.19429965
  H     15.77951539     10.04360093    -18.01005429
  O     15.01933027      6.15109747    -12.57903264
  H     13.06870196      5.24679713    -10.18897956
  H     13.02095794     11.16782244    -11.04275329
  O     16.72915895      7.77659235     -8.61392390
  H     16.19068916      6.37127210    -16.95594991
  H     14.24216042     10.23735163    -11.08656253
  O     14.92837961      9.69651239    -18.33382887
  H     17.43274287      5.60786526    -17.47740351
  H     15.87289163     12.84806999    -14.67947490
  O     13.36656287     10.34195712    -10.68522006
  H     14.11978854      8.07672971    -14.56713360
  H     16.31265291     13.80005744    -15.81300832
  O     16.07463332     12.89461917    -15.63163536
  H     12.63204168      7.63109612    -14.52314185
  H     11.52267056     10.25894600    -14.30857300
  O     11.84221730     11.16799204    -14.34004437
  H     17.15007673      5.46163648    -14.93976993
  H     12.47922464     11.21267503    -15.06574897
          69
 Energy    -248.77905585089843     
  O     13.30608603     10.21161451    -15.78467461
  H     13.91523935     10.95595309    -15.70738618
  H     16.44493246     10.65923908    -17.86265879
  O     17.21580933      6.55733575    -13.51503929
  H     13.81789576      9.47241691    -16.12980486
  H     17.54780511      9.32658455    -15.26455683
  O     18.43917825     10.33540252    -11.87924108
  H     17.91593779      6.72126691    -12.87223890
  H     16.49777186      9.65609620    -14.16458392
  O     19.01842532      9.97246708    -16.13101601
  H     17.08257570      7.40672963    -13.96642207
  H     12.31396957      9.72033003    -14.45699726
  O     14.84821316      9.59582133     -9.30399586
  H     18.26815416     10.26812196    -10.92765276
  H     10.93270521      9.55138203    -13.77666857
  O     14.81239283      6.71750030    -12.16256952
  H     17.61501741     10.63662344    -12.28482457
  H     18.99482394      6.48957674     -8.77538649
  O     16.00661764     10.98493967    -13.06157963
  H     19.55274538     10.26797330    -15.38250072
  H     18.71232598      7.11370787    -10.16045049
  O     15.51455564      6.79057182     -9.50345305
  H     19.33545566      9.09571274    -16.38808356
  H     12.59888834      7.58968656    -14.20570830
  O     19.72174255      7.29280783    -16.56113686
  H     14.50188206      9.59224803    -10.21108352
  H     13.68388546      6.65487972    -13.65479976
  O     17.31588511      6.02191755    -16.25075732
  H     14.18621973     10.01562110     -8.75994870
  H     19.74988870     10.55755779    -13.05869372
  O     20.87522307      7.75101444    -13.94171221
  H     14.98896399      6.59456258    -11.21888742
  H     21.03468271     11.27707613    -13.52676608
  O     16.84932158     11.33186170    -17.29656997
  H     15.64668409      6.56065504    -12.62595489
  H     18.85706427      8.49976923    -11.84592475
  O     16.80318726      8.96706427    -14.76641511
  H     15.25848913     10.51550943    -12.66551574
  H     19.86036306      7.50768771    -12.48455445
  O     11.85934257      9.35224983    -13.67716898
  H     15.68164976     11.53589483    -13.78583561
  H     16.73866355      9.82080401     -9.25137362
  O     18.35800354      7.00741830     -9.26119055
  H     16.47133862      6.76176870     -9.37733807
  H     17.96191672      8.89478060     -9.12257317
  O     13.20005289      6.88132641    -14.46114683
  H     15.24964854      7.68999011     -9.27652912
  H     15.34313567      8.62107354    -17.96220692
  O     20.41731951     10.59005129    -13.76514590
  H     18.87446193      6.81968040    -16.49737026
  H     15.08267841      9.03488695    -19.41789896
  O     19.17081302      7.58566377    -11.80893605
  H     20.21371136      6.87332005    -17.26267316
  H     14.34884143      8.45512139    -12.04417317
  O     17.70275292      9.80648713     -9.30448678
  H     16.47667298      6.41912994    -16.50271522
  H     13.21702112      9.43707930    -12.43901928
  O     15.64015696      9.21862683    -18.66547145
  H     17.28667506      5.95117670    -15.28517904
  H     15.82051011     11.98713836    -16.09545656
  O     14.04153243      9.36917097    -11.94144330
  H     20.52860120      7.50124854    -14.80654174
  H     15.02393182     13.21434155    -15.59173838
  O     15.20327451     12.29650946    -15.40640580
  H     20.87949010      8.71657026    -13.92605721
  H     15.58596762      8.23971391    -15.82253167
  O     14.92226576      7.81035869    -16.38602658
  H     17.69152196     10.96374208    -17.00101926
  H     14.28733323      7.37673348    -15.79604366
          69
 Energy    -248.77889807677784     
  O     17.34330515     11.16404383    -15.26866046
  H     17.51079972     12.10041501    -15.18694710
  H     20.07311750      6.02063496    -15.37038592
  O     13.06032635      6.01284171    -15.87980464
  H     16.38093214     11.04117862    -15.15757284
  H     17.77811136      7.71297165    -16.82086076
  O     18.39482172      7.00198134    -12.12034927
  H     12.23233349      5.57641738    -16.05985614
  H     19.05040630      6.93468143    -17.21371342
  O     16.28364738      6.53693272    -19.00233753
  H     13.74925506      5.52789939    -16.37193674
  H     16.77054726      8.10710587    -14.71862428
  O     14.68627661      8.58456493     -9.75096567
  H     19.21648949      6.93551081    -12.62009327
  H     15.70868968      7.92606079    -15.84541177
  O     14.05844482      6.52021054    -13.26985480
  H     17.97170822      7.81696310    -12.43286395
  H     14.49653186     10.33139311    -13.98445984
  O     17.12520091      9.16190294    -13.18913198
  H     17.14076222      6.82210301    -18.66779986
  H     14.39549416     10.02150933    -15.48478483
  O     17.11264977      4.88842997    -15.31210537
  H     15.78712685      7.34707445    -19.16810365
  H     15.33909283      3.73845409     -9.49415731
  O     13.42306035      6.11988279    -10.54480806
  H     14.61351323      9.07223518     -8.93501102
  H     14.71854199      4.99764264    -10.14910972
  O     19.70682337      9.32902296    -15.46164303
  H     15.52047776      8.08348305     -9.70549939
  H     14.24672855      8.66361132    -17.44458468
  O     15.04575843      4.80415950    -17.20404445
  H     13.69479632      6.29568113    -14.13388107
  H     13.60840795      7.71412385    -16.36922515
  O     19.70733888      5.61705667    -16.16587125
  H     14.88120179      6.02411078    -13.15468411
  H     20.30166949      8.02289990    -14.38122234
  O     18.50250611      7.69206692    -17.46967974
  H     16.20474159      9.21886952    -12.89133719
  H     21.51311666      7.31911864    -13.73334003
  O     16.56833518      7.62321795    -15.52678928
  H     17.30236829      9.93915027    -13.72704610
  H     16.16394578      4.73335873    -11.78425804
  O     14.72401479     10.68001728    -14.85592957
  H     16.90522421      5.82876298    -15.42922704
  H     17.13708424      5.72550744    -12.47142061
  O     15.54778589      4.50152731    -10.02548904
  H     16.90270387      4.70357688    -14.38812580
  H     17.55308911      7.03216846    -10.41924115
  O     14.09465834      8.53820706    -16.49865581
  H     13.68478603      6.97892467    -10.19106458
  H     16.55897571      6.10884332     -9.68792105
  O     20.57770118      7.22505708    -13.89857707
  H     13.45615046      6.21418685    -11.50678093
  H     17.26104206     10.52983125    -17.17662627
  O     16.41615830      5.10079238    -12.63943917
  H     19.03352755     10.00861371    -15.36824637
  H     17.79788134      9.35402823    -18.01627030
  O     16.90591515      7.00981561     -9.70291047
  H     19.44501063      8.81653082    -16.23814977
  H     14.47343040      9.09237590    -11.52021867
  O     17.22112534     10.12996283    -18.05100345
  H     15.44033761      5.33058504    -17.91414935
  H     14.25813595      8.26831770    -12.81662552
  O     14.46979515      9.15379403    -12.48392028
  H     15.76652163      4.60008235    -16.59446225
  H     14.63428414      9.54859369    -19.87675493
  O     14.94186850      9.07956058    -19.10580170
  H     18.89139951      5.17891525    -15.88532173
  H     15.73553366      9.54593960    -18.78783122
          69
 Energy    -248.77831191622937     
  O     10.94643969     10.28842791    -15.83640189
  H     11.05731490      9.51315390    -15.27496881
  H     19.15580568      8.23336123    -15.68180446
  O     15.21166081      8.20238094    -11.37308785
  H     10.63427921     10.99763204    -15.25954030
  H     16.69475849     11.28206970    -10.92330994
  O     16.72641104     11.88842460    -14.17876791
  H     15.62000381      7.84110471    -12.16970685
  H     17.30706453     10.45791875     -9.77093052
  O     12.34829556     10.91497985    -18.06857338
  H     15.79188620      8.91253332    -11.07430896
  H     17.24258128     11.41862653    -17.24087419
  O     14.11177674     10.94902727    -14.02775269
  H     17.26398454     11.12141678    -13.93410610
  H     15.79305162     10.89603656    -17.13614642
  O     13.43274623     13.53977581    -11.77736557
  H     16.63836337     11.89525912    -15.14163644
  H     10.55076623     12.14065434    -13.20588032
  O     12.85808541     13.38520542    -14.52609784
  H     11.83603615     10.67447003    -17.27557264
  H      9.42023630     12.86167886    -13.97758996
  O     17.19034092      8.27542606    -18.16617205
  H     11.72844246     10.96113772    -18.79162000
  H     11.88780930      8.50986278    -13.29059933
  O     12.84497509      9.41493227    -12.09303230
  H     13.59787179     11.74279648    -14.22403521
  H     10.91743581      7.39237739    -13.74026928
  O     17.99728587      6.74234142    -16.07871260
  H     15.03670668     11.22188091    -14.02107903
  H     13.35122179     12.42402368    -17.47145463
  O     16.34814154      7.59734222    -13.95900032
  H     14.35104616     13.27367460    -11.67160909
  H     14.79326558     12.77931020    -17.05845828
  O     19.52689383      9.10910587    -15.51585359
  H     13.30119542     13.65401291    -12.73008121
  H     17.43892053      8.93162232    -13.45500867
  O     16.98979539     10.39382402    -10.66907850
  H     13.17874528     13.41447234    -15.43995873
  H     17.85442633      9.85003588    -12.27574791
  O     16.36505639     11.64199467    -16.90541155
  H     11.91635724     13.17509287    -14.53504158
  H     16.68780728     13.77277283    -11.54760629
  O     10.23800864     12.38649744    -14.09605160
  H     17.77164320      9.04529370    -18.17792251
  H     16.46137375     12.67993942    -12.61606564
  O     11.48581144      8.08409527    -14.06789083
  H     16.28969392      8.62534468    -18.12803314
  H     14.48313900      9.02006611    -16.84338506
  O     13.88635170     13.10815375    -17.04939166
  H     13.26602951     10.04768610    -12.69520160
  H     13.91835082      9.93497317    -17.95077436
  O     18.03021305      9.65849313    -13.20394694
  H     13.57338415      8.90684749    -11.71002449
  H     12.01341470     12.39506996    -11.57340483
  O     16.30095575     12.91053883    -11.68474920
  H     17.66779839      7.22483849    -16.85850050
  H     11.72039544     10.88032299    -11.63771631
  O     14.72095715      9.48558124    -17.65869324
  H     18.28781308      5.88802706    -16.38656245
  H     19.15502018     10.11494207    -16.90006763
  O     11.30240047     11.74768653    -11.69585266
  H     15.52649407      7.84917760    -14.40435823
  H     19.62350616     10.89709924    -18.15045003
  O     18.84607924     10.58698136    -17.69413029
  H     16.90312601      7.17831783    -14.62906296
  H     13.17471102      8.12234934    -14.93811062
  O     14.02995946      8.48015387    -15.20075613
  H     19.18750850      9.37080294    -14.65013230
  H     14.05455873      9.38517510    -14.84793057
          69
 Energy    -248.77827793529582     
  O     13.34169679     11.11518365     -9.23279599
  H     13.46144499     10.79511413     -8.34240428
  H     16.41187366     14.31594907    -17.89656258
  O     11.37719272     10.79364900    -15.06009989
  H     13.96850360     11.85198887     -9.34933705
  H     13.28171381     13.38790988    -12.45568143
  O     13.26081897      9.39943780    -11.47467602
  H     11.47435940     11.01123072    -15.99540069
  H     13.24968417     14.73204492    -11.71040341
  O     18.32675170     13.08630809    -13.34949009
  H     11.16247229     11.62418825    -14.61119994
  H     11.97419273     13.41114783    -16.69361478
  O     11.16843935     12.68429443    -10.14604721
  H     13.28134095     10.00444584    -10.72147877
  H     11.44939548     13.96396492    -15.35811907
  O     13.79235532      9.84070147    -14.18594465
  H     12.33799268      9.36219571    -11.77052656
  H     14.25356048     11.50966028    -13.63016119
  O     14.77564234     15.60747115    -11.03655408
  H     19.26740842     13.23964489    -13.37406788
  H     15.24102244     12.22463564    -12.66794794
  O     10.72691412      9.56200936    -12.55632941
  H     18.09572052     12.62380391    -14.17545773
  H     17.23274644     12.43316271    -16.28717936
  O     14.66507104     14.29519050    -15.24760106
  H     11.81013834     12.09814389     -9.72911858
  H     17.08300257     11.03003977    -15.66608727
  O     14.58481240     11.26524962    -17.81279397
  H     11.68664290     13.23980927    -10.74539840
  H     11.53245983     11.60367417    -18.50071331
  O     10.67171645     13.19198887    -13.78018458
  H     13.64178287      9.59783112    -13.26287702
  H     12.87772017     11.54168826    -17.73904713
  O     16.18957144     13.55795251    -17.36321008
  H     12.94223605     10.12305661    -14.55500458
  H     15.08180825      9.09079119    -11.47370843
  O     12.68003152     14.04318769    -12.07049165
  H     15.38510227     15.51148475    -11.78970725
  H     16.33528918      8.24703989    -11.20416492
  O     12.04855686     14.15995122    -16.08950587
  H     14.88030331     16.49802835    -10.71280380
  H     16.15222834      8.67509581    -15.96791611
  O     14.50691023     12.37044383    -13.27809404
  H     10.83571674      9.78180720    -13.48984506
  H     15.16374831      9.62079771    -15.25044328
  O     17.60415463     11.84070081    -15.62132582
  H     10.13311440     10.24046103    -12.21150916
  H     16.58872132     10.84169334    -11.57914871
  O     11.92700157     11.72926189    -17.64203664
  H     14.66204572     13.58670356    -14.58655376
  H     17.33706250     12.13033778    -12.11594315
  O     16.04957766      9.09520796    -11.53501493
  H     13.75102504     14.38281067    -15.55474947
  H      8.33103791     11.94651552    -11.36387163
  O     15.88753696      9.58886014    -15.89917105
  H     15.02387632     10.61829651    -17.24816179
  H      9.84552162     12.13959928    -11.10401013
  O     16.62405530     11.80808353    -11.55102310
  H     15.13393210     12.05878272    -17.78065613
  H     17.07256187     14.57362310    -13.24257167
  O      9.19044463     11.84002075    -11.76164306
  H     10.01735495     12.80091515    -13.18837285
  H     15.81469021     15.08861130    -13.97664291
  O     16.38158181     15.24515910    -13.20938896
  H     11.34067591     13.59465607    -13.20668256
  H     14.98487486     13.98716051    -10.00280942
  O     15.12153202     13.10481853     -9.64123083
  H     15.64721622     13.88228979    -16.62185508
  H     15.75558310     12.67141104    -10.23191687
          69
 Energy    -248.77778990423661     
  O     -0.49617154      2.92599893      4.35543695
  H     -0.19085390      3.63040082      3.76916209
  H     -2.12228238     -3.78183380      0.84096890
  O     -2.48163260      1.24754664      3.12766759
  H     -1.23008947      2.48649929      3.90897592
  H     -1.03544153     -3.13757250      4.64494364
  O     -1.01861676      1.61683595      6.83099914
  H     -2.49529832      0.72786950      3.94439618
  H     -1.56080903     -3.62184832      3.27440987
  O      3.01771071     -1.44089036      0.83864765
  H     -1.73994158      0.93519585      2.57931717
  H     -0.51839336      0.11285829      0.66529664
  O      0.84710007      1.99227377     -1.83662697
  H     -1.66879083      0.99034172      6.48553331
  H      0.25682751      0.00811954      2.02023175
  O     -0.69282905     -0.28962703     -1.13537021
  H     -0.86722141      2.25169408      6.11876995
  H      2.15645372     -1.02144977      2.40753235
  O     -3.57799042     -1.21225371      2.01042118
  H      3.74462441     -2.02160753      0.63195430
  H      1.78612476      0.00630627      3.54261477
  O     -3.33597129      0.13395763     -0.57736695
  H      2.21171059     -1.85258464      0.47465801
  H      0.23520831     -1.74495041     -0.60114494
  O     -0.41714073      3.04139108      0.41897472
  H      1.57272948      1.73106610     -1.23690457
  H     -0.01689767     -2.74008765      0.53889084
  O      2.72136804      1.27506118     -0.05591049
  H      1.24842174      2.27259187     -2.65383887
  H      0.43962482      0.67971102      7.08868971
  O     -4.12073403     -2.45522042      4.50425733
  H     -1.64914939     -0.13460356     -1.08957477
  H      1.59893283      0.09280121      7.93144532
  O     -1.66859876     -3.17102619      1.42006212
  H     -0.26607715      0.48356410     -1.52245966
  H      2.13670220      3.53753599      2.30160716
  O     -1.71949068     -3.67639190      4.22555379
  H     -3.29785307     -0.33823965      2.30685098
  H      2.67714105      2.36631606      3.12791306
  O     -0.43573734      0.48859867      1.55126741
  H     -3.93836276     -1.64861136      2.79355080
  H     -3.12126165     -1.00923528      5.22956095
  O      1.49633737     -0.78911131      3.07193685
  H     -3.40597324      1.03828125     -0.23675818
  H     -1.58359455     -0.83125177      5.29522142
  O      0.67060995     -2.41479756     -0.05308649
  H     -3.62154840     -0.43628801      0.14342784
  H      0.48431795     -1.24426785      5.93358136
  O      1.23699330      0.12070717      7.05003871
  H     -0.03270994      2.88158994     -0.45162096
  H      0.52885511     -1.48542347      4.40846764
  O      2.76398592      2.80634709      2.27355262
  H     -0.34117298      2.19724163      0.88928862
  H      1.86623305      1.04174797      5.49216582
  O     -2.42546120     -0.35726858      5.37181383
  H      2.89744365      0.36722827      0.21269070
  H      1.07343433      1.95488789      4.52947729
  O      0.02824042     -1.69315716      5.21183042
  H      2.79244793      1.82126848      0.74061155
  H     -2.34367102      2.92569587      0.51028321
  O      1.89985862      1.45838291      4.62302267
  H     -4.78948908     -2.99993111      4.90962030
  H     -3.18067334      2.30225827      1.63112540
  O     -3.23416626      2.61659316      0.72020329
  H     -3.30611158     -2.98914145      4.45661392
  H      0.16345232      4.17880635      1.62262840
  O      0.52359340      4.65647410      2.39047756
  H     -2.27969896     -2.43090471      1.56222486
  H      0.46307307      5.58733835      2.19263954
          69
 Energy    -248.77734047769752     
  O     13.37453168      7.04743919     -8.05064107
  H     12.62719088      6.68398458     -8.55802602
  H     12.12095538      7.39759330    -15.48583515
  O     14.26887113      5.06367155    -15.73516429
  H     13.14302865      6.97019006     -7.12886848
  H     15.90294064      8.79917475    -12.35826284
  O     17.17634700      6.57411350    -13.97335691
  H     14.99196312      5.50504109    -16.19500695
  H     14.71116071      8.18750177    -13.12436449
  O     10.26049879      5.61642000    -13.09254842
  H     14.69072754      4.56841444    -15.02098164
  H     13.57738783      6.34268083    -12.24975765
  O     17.93280337      4.81263244    -10.27278456
  H     16.58738295      7.29980100    -13.72645099
  H     12.88498879      6.91787074    -13.52444793
  O     11.41605414      3.85478270    -11.40131297
  H     17.12710242      6.50161439    -14.93575891
  H     11.35640966      5.22190604    -10.02626848
  O     16.55047230      8.36229825    -10.70151015
  H     10.76482230      5.90957931    -13.86333492
  H     10.74974818      6.63309046    -10.01540291
  O     13.13831344     10.46920202    -13.66465922
  H     10.05760424      6.40246043    -12.57067622
  H     14.58859083      4.41144546    -12.25144259
  O     17.49634667      2.68973865    -11.95677308
  H     18.36122574      5.54787956    -10.72601367
  H     13.19063606      4.29714631    -11.52317017
  O     15.28478153      8.84591897    -16.07324632
  H     17.12245414      5.17726790     -9.89271996
  H     16.10546129      7.41087461    -16.58976041
  O     12.45287920      9.19453987    -15.97618761
  H     10.97526225      4.42719409    -12.05569023
  H     16.96895983      6.56698020    -17.56211730
  O     12.05240898      6.53335080    -15.06264874
  H     10.95193549      3.02248989    -11.40495953
  H     16.38215249      3.49927650    -13.07996902
  O     15.49688351      8.74915314    -13.23423197
  H     17.44681580      8.10399566    -10.94524653
  H     16.29588211      4.94027061    -13.64034189
  O     13.36246109      7.15781044    -12.71940056
  H     16.14907432      7.56146576    -10.32950886
  H     19.73622132      7.28793346    -12.08526398
  O     11.31276424      6.03461036     -9.50976634
  H     14.05205201     10.21648098    -13.49655416
  H     18.36486494      6.82842455    -12.62768704
  O     14.03609049      4.76199859    -11.53840658
  H     12.66235386     10.21509271    -12.86188026
  H     10.60804135      8.40662701    -11.26997220
  O     16.55018779      6.55113799    -16.70621250
  H     17.68852379      3.39319854    -11.31323887
  H      9.07731056      8.31704545    -11.06822957
  O     15.79756738      4.11806681    -13.54314956
  H     17.83687966      1.88441615    -11.57804520
  H     14.83858776      6.32806724     -8.94423212
  O     18.84794788      7.06424765    -11.81847562
  H     15.45070678      8.95441742    -15.12794982
  H     14.98057817      5.52822152    -10.25995193
  O      9.85415451      7.79228097    -11.24348993
  H     14.33373677      8.96193175    -16.18655324
  H     13.89661796      8.67614147     -8.89487329
  O     15.48000606      6.03678329     -9.60280440
  H     12.61536217      9.70244504    -15.16137068
  H     15.00987964      9.25441647     -9.79368720
  O     14.12434984      9.42942271     -9.45597412
  H     11.92787549      9.75092302    -16.54591305
  H     12.55424977      8.45175172    -11.82379884
  O     12.16340897      9.21354361    -11.36517829
  H     12.77959500      5.97832225    -15.38792377
  H     12.77544375      9.42868835    -10.64705837
          69
 Energy    -248.77727810143273     
  O     12.26840246     10.37461270    -16.08200021
  H     13.03838195     10.88968300    -16.34694982
  H     13.30584691      4.98382717    -14.57705947
  O     14.98243601      6.55821215    -12.75779175
  H     12.47811810      9.46107233    -16.32070214
  H     19.16124496      6.77451906    -13.44494858
  O     17.09873440     10.33695924    -12.30992210
  H     14.71849469      5.74478258    -13.20085187
  H     18.63857013      7.28496501    -12.08297284
  O     17.93931005      8.84319014    -15.44848876
  H     15.05365317      7.23612565    -13.44867612
  H     17.04067575      9.37515229    -16.99934126
  O     11.97879586      6.02244922    -14.81900342
  H     16.79345490     10.76064730    -11.49298508
  H     15.82266189     10.24023566    -17.38650035
  O     15.56714479     11.13800784    -10.18714066
  H     18.04599648     10.44581134    -12.44376571
  H     16.15429759      8.56408392    -14.93958959
  O     13.39411992      8.09123167    -11.05415427
  H     18.25623061      7.92951135    -15.43351330
  H     15.01844808      9.41981752    -14.34570535
  O     15.05635772     11.21196225    -13.88858016
  H     18.47709530      9.32872493    -14.81362079
  H     10.21279816     11.01152829    -13.77972498
  O     16.23384020      5.45979540    -16.10567099
  H     11.62442921      6.57902854    -14.11111173
  H     11.46784611     10.53231043    -14.54429104
  O     15.45700156      8.46195293     -9.11367561
  H     12.30232935      6.62897625    -15.49846541
  H     11.05156454      8.72054089    -13.13013866
  O     18.66120993      6.14526257    -15.18122857
  H     15.50120031     10.33080196     -9.66166905
  H     11.79966161      7.85668735    -12.10227711
  O     14.13164244      4.48379579    -14.43384341
  H     14.72725868     11.20954176    -10.65855687
  H     19.68295476      8.96562670    -13.06293655
  O     19.41262422      7.28032715    -12.66195119
  H     13.87790424      7.49760145    -11.64709762
  H     20.56317181     10.19808236    -13.38325574
  O     16.38457408      9.51902135    -17.69464760
  H     13.93391042      8.17267726    -10.25982836
  H     16.33929953      7.18563970    -11.78610064
  O     15.23922732      8.52552914    -14.63314809
  H     14.34877391     11.16722244    -13.23060476
  H     16.98352720      8.60041608    -11.70736596
  O     11.05812340     10.58601558    -13.66262168
  H     15.87219670     10.98257794    -13.41937606
  H     15.71612982      7.96677545    -18.14039809
  O     11.17881076      7.81016382    -12.83930515
  H     15.87534951      5.94642055    -16.85734754
  H     15.38682634      6.91888170    -19.23002104
  O     19.65955573      9.89752939    -13.34768698
  H     15.48876662      5.10818631    -15.60388228
  H     12.40468716     10.82429627    -12.40478233
  O     16.98107747      7.72247337    -11.29718958
  H     16.07879851      8.13666896     -9.78657030
  H     13.28258017      9.83971015    -11.60428665
  O     15.32352641      7.08827446    -18.29408723
  H     15.71105974      8.06057207     -8.28663665
  H     14.92673049     11.57934459    -15.60630413
  O     13.21757766     10.76398295    -11.88546961
  H     19.29707326      5.62009958    -15.66057077
  H     14.92698381     12.57062036    -16.79201532
  O     14.79832254     11.65190649    -16.56820929
  H     17.78136127      5.84317746    -15.47126579
  H     13.95247329      8.04928674    -15.82665640
  O     13.29549333      7.82044015    -16.50223749
  H     13.88384665      3.57125060    -14.31671359
  H     13.80801525      7.51886668    -17.26042425
          69
 Energy    -248.77702846110657     
  O     16.60990186      9.24732881    -16.24834697
  H     17.11789456      9.05653830    -15.44605822
  H     17.54572666     10.03179478    -17.49715318
  O     15.00464467     11.61380910    -15.40839616
  H     15.89375936      9.83154719    -15.97953807
  H     16.09193526     12.31352454    -11.28842777
  O     19.82968700     10.33926382    -10.90426592
  H     14.47736376     11.24539327    -14.68533399
  H     15.11320084     11.94986589    -10.15122167
  O     20.05895809     13.02607722    -11.75233396
  H     15.89613292     11.74236434    -15.04652868
  H     18.49667811     16.48979903    -13.11232826
  O     13.93082055     10.55656751    -13.11395615
  H     19.93718890     11.29418539    -11.00079144
  H     19.78647683     16.96695675    -13.80551132
  O     17.24734285      9.41092192    -11.33968207
  H     20.27745293      9.96392629    -11.67167208
  H     20.50594463     12.29025650    -15.05695296
  O     18.11129671      9.13063297    -13.89765222
  H     20.49695365     13.86103796    -11.54448250
  H     21.59956122     13.07051270    -14.27270775
  O     15.80186739     12.41965424    -17.98803242
  H     20.36539130     12.75925142    -12.62961664
  H     15.98252279     14.12837698    -17.87820040
  O     18.52185639     15.07352986    -16.31437527
  H     14.40939832     10.95372449    -12.37137353
  H     15.66269765     15.55211029    -18.39752316
  O     21.22244734     15.55020389    -11.49446077
  H     13.79031287      9.64345355    -12.87109727
  H     19.86266817     16.13017166    -15.88149145
  O     19.16561295     12.39433594    -16.30033779
  H     18.11607590      9.72145035    -11.03914194
  H     20.83153193     17.29761646    -16.18238389
  O     18.01379799     10.59849672    -18.13695650
  H     16.62030577     10.11095307    -11.13280066
  H     16.23915088     15.17469724    -14.13940569
  O     15.44161321     11.65261750    -10.99646444
  H     17.74634127      9.09295165    -12.99852074
  H     17.69553823     15.23493229    -14.61358868
  O     19.36085709     16.88533844    -12.94213582
  H     19.07215210      9.16825905    -13.81923753
  H     22.03534321     15.03841697    -13.17836987
  O     21.09031661     12.24629046    -14.28831751
  H     15.39095535     12.09486293    -17.17502919
  H     21.73784822     15.40076098    -14.64042051
  O     16.07898839     15.07866934    -17.68245154
  H     16.54144634     11.82856060    -18.16947216
  H     21.04384277     10.52433879    -13.79798008
  O     20.58705886     16.66414627    -15.51264538
  H     17.71527165     15.16703432    -16.83746680
  H     21.68690756      9.12459851    -13.69224582
  O     17.13896367     15.36294333    -13.83444200
  H     18.80326756     14.15002663    -16.38442720
  H     17.70749873     10.88494242    -14.05267047
  O     22.18442179     14.74841373    -14.08674237
  H     21.57288462     16.09198045    -10.79310099
  H     17.45620335     12.30520501    -13.43540055
  O     20.88653402      9.61022474    -13.50820709
  H     20.52799641     16.07168676    -11.93639376
  H     14.72358884     13.59043483    -15.16900980
  O     17.48979695     11.80501463    -14.25817269
  H     18.91793303     11.80130148    -17.01896335
  H     15.14020205     14.81151128    -16.00301719
  O     14.85174218     14.54398178    -15.12106697
  H     18.54155831     12.21735387    -15.57635099
  H     17.23902039     14.13742715    -12.52150835
  O     17.34438911     13.36345209    -11.94994354
  H     18.26475137     10.03971480    -18.86735102
  H     18.28965818     13.26542452    -11.76564428
          69
 Energy    -248.77694123367399     
  O     14.24795855      6.50130899    -15.79763990
  H     15.13345041      6.88913218    -15.69452118
  H     20.02625779      6.94586835    -17.70099338
  O     17.51471624      7.63627048    -11.88252824
  H     14.39943969      5.61918809    -16.15624832
  H     17.51632342      7.00872470    -15.35423715
  O     19.95654527      5.06052244    -17.27083171
  H     16.82411349      8.21756349    -12.22736245
  H     17.00341129      8.46056628    -15.68115586
  O     17.44432547      4.77534271    -18.25033683
  H     18.33031150      7.81681291    -12.36438068
  H     14.83016341     10.15182632    -13.81541403
  O     14.25655182      9.24841577     -9.84344525
  H     19.07694980      4.87953523    -17.65070935
  H     14.21893133     11.50037972    -14.26268245
  O     13.93200901      6.60105695    -13.04360578
  H     20.53814944      4.37349239    -17.58350855
  H     15.37894425      4.71826385     -8.51502846
  O     16.81776702      4.00125910    -14.38396871
  H     17.23341644      5.67777562    -18.52808217
  H     15.75437189      6.07462262     -9.16246192
  O     13.10307376      6.84950229    -10.35446840
  H     16.68299330      4.46361330    -17.74732083
  H     13.71384310      8.16734463    -16.49325670
  O     19.59579069      9.46190332    -15.56883578
  H     13.72265127      9.81503921     -9.29378884
  H     13.88210390      9.61928166    -15.98524519
  O     15.24904964      3.96915577    -16.57834367
  H     13.75396232      8.42247758     -9.97142271
  H     19.81416210      8.58853489    -14.12641438
  O     18.85969565      5.85744209    -14.83596458
  H     14.65434431      6.03084421    -12.74170683
  H     20.75160619      8.19172792    -12.95949725
  O     19.78938060      7.87157489    -17.82947814
  H     13.88739756      6.51537821    -14.00463790
  H     15.82854594      5.06061098    -11.06255512
  O     16.76153107      7.52712956    -15.66081315
  H     16.51255497      4.25782812    -13.50468566
  H     16.69075393      5.98118835    -11.96842576
  O     14.65923799     10.71861563    -14.58646127
  H     17.59540947      4.55248207    -14.54598742
  H     17.04247396      7.67241959    -10.06314589
  O     15.24173535      5.25579952     -9.29005907
  H     13.18007777      6.71745644    -11.30940890
  H     15.85526233      8.29795596     -9.30700943
  O     13.67271962      9.09354217    -16.76678153
  H     13.68778875      6.19765021     -9.94743033
  H     15.17678695     10.46725072    -19.22373456
  O     19.89998422      8.00874150    -13.34649638
  H     19.76143479      8.94399523    -16.37121336
  H     14.81229102      9.60732044    -17.98819057
  O     16.09809572      5.21527890    -11.97577546
  H     18.79111024      9.96642686    -15.73832558
  H     14.67690225      8.21059045    -12.73938954
  O     16.55579583      7.63877009     -9.22787893
  H     14.84199719      3.11250494    -16.67694986
  H     14.85760095      9.24676751    -11.59573511
  O     15.55095624      9.90959817    -18.54755104
  H     15.79558176      3.92874653    -15.77127203
  H     16.24971081     10.58954701    -15.54758404
  O     15.12389241      9.03735754    -12.50044875
  H     19.37890857      6.48029906    -14.31430708
  H     16.64068916     10.28893200    -17.00819456
  O     16.99311869     10.33783251    -16.11034836
  H     19.36798297      5.60801237    -15.61964293
  H     16.92151967      7.43551019    -17.50314741
  O     17.03447149      7.52436858    -18.46136846
  H     18.89966736      7.84987056    -18.20507399
  H     16.52694498      8.30580035    -18.70716254
          69
 Energy    -248.77691977197233     
  O     15.66488169      8.96948686    -16.84394858
  H     16.43469507      9.14526807    -16.28892396
  H     16.40703772      2.69720018    -16.91223432
  O     13.62404179      5.68616395    -15.80688518
  H     14.91124462      8.86540420    -16.25185415
  H     19.94670663      3.97830077    -15.90424911
  O     17.81334373      5.44522053    -12.00290598
  H     14.59353400      5.64999686    -15.77572998
  H     18.81170715      3.23243850    -15.16023106
  O     20.26357719      5.20096354    -17.29233087
  H     13.39502685      6.61980439    -15.72858029
  H     16.52807401      6.10860330    -16.54190564
  O     18.08052341      4.64587207    -18.74092176
  H     18.72746439      5.35243006    -12.29636583
  H     16.60731512      6.34495514    -14.98696675
  O     14.16183418      7.20203729     -9.86664997
  H     17.44690229      6.19645487    -12.49327940
  H     12.59629212      9.02051885    -15.14730213
  O     13.67255823      4.83169897    -13.18062274
  H     21.02270176      5.20298593    -17.86910290
  H     13.55080369      8.24670601    -14.21101382
  O     16.71350190      7.44913096    -13.49171100
  H     19.49213808      4.99346644    -17.84994897
  H     14.77480593      2.25558550     -9.41108561
  O     16.92973814      3.07988729    -15.23083910
  H     17.53506183      5.44653983    -18.72130250
  H     14.17893818      3.50224831    -10.10814839
  O     12.90159355      4.65500074    -10.49625940
  H     17.48435951      3.91490242    -18.54503790
  H     14.83473551      4.04841116    -18.27309584
  O     19.70568458      7.17718993    -15.31914459
  H     14.96323024      6.65773589     -9.75911109
  H     13.85185383      5.02717298    -17.59754799
  O     16.15914762      2.67988064    -17.85112388
  H     14.07086067      7.71649953     -9.06932510
  H     21.20114500      5.15048277    -12.85003273
  O     19.74051077      3.48800782    -15.09727504
  H     14.48501543      4.31754705    -13.07712355
  H     20.14595605      4.58849525    -13.83369440
  O     16.40572175      5.69985630    -15.67462214
  H     13.51701576      4.95502678    -14.12607741
  H     15.71593640      3.07525140    -11.73837426
  O     13.37167216      8.46360488    -15.14022350
  H     15.81422404      7.63591127    -13.19429118
  H     16.68790946      4.07187732    -12.41412334
  O     14.99323263      2.98128334     -9.98917172
  H     17.07744701      8.22479374    -13.93601729
  H     16.92861451      5.55081272    -10.38325487
  O     14.30794020      4.84241132    -18.42857449
  H     16.80216953      4.02660955    -15.41341003
  H     15.95120801      4.62752132     -9.63319143
  O     20.32498442      5.30208686    -13.19375262
  H     16.59810350      2.94468015    -14.33507437
  H     16.05543872      7.58287511    -17.93473122
  O     16.02107702      3.39278632    -12.59693130
  H     12.97260468      4.67450631    -11.46173251
  H     15.54580991      6.19033104    -18.45970126
  O     16.28847217      5.53111146     -9.65875377
  H     13.15322541      5.53779488    -10.20071019
  H     13.92622536      6.58874034    -12.83761324
  O     16.33539827      6.72504941    -18.28280187
  H     19.86909173      6.58585736    -16.06446036
  H     14.06336730      7.59280120    -11.67284166
  O     14.06850938      7.52671799    -12.63573183
  H     19.92220665      6.66391075    -14.53232748
  H     18.62997734      8.53881331    -15.27710349
  O     17.98083421      9.25746492    -15.16089646
  H     16.09311865      1.76063356    -18.09847549
  H     18.47811687     10.06913708    -15.10852821
          69
 Energy    -248.77654382445476     
  O      9.88391273      7.22012233    -10.62575284
  H     10.62693098      7.75226434    -10.30744350
  H     11.85982249      4.34086924    -10.76259774
  O     11.97595195      8.82738194     -9.79798593
  H      9.09885586      7.54023636    -10.16544958
  H      7.33694439     11.24916762    -11.07960108
  O     12.89466465      7.24120452    -13.53472521
  H     12.66665087      8.27093673    -10.18660259
  H      8.66808939     10.46521728    -11.16377657
  O      8.89920569      8.11845832     -6.73447614
  H     11.92049631      8.59914674     -8.86085317
  H     11.11733401      4.93260735     -8.49357819
  O      6.96144117      5.81506541    -12.91372792
  H     12.80367440      6.30502630    -13.75048129
  H     12.50428198      4.76810760     -7.83097458
  O      7.81237360      3.91032309     -8.70908666
  H     13.33786162      7.27185094    -12.67654055
  H      9.38407250      4.21437421     -9.71537444
  O     14.07378307      4.25686415     -8.57922202
  H      8.45763605      8.21383956     -7.59632836
  H     10.04630437      5.47503505    -10.34203312
  O     13.77162879      7.00132634    -10.85355035
  H      8.39984215      8.64123419     -6.11210373
  H      8.48688307      8.45104444    -13.40698278
  O     10.32809356      8.10830197    -13.22304373
  H      6.24532792      5.57223568    -13.49620772
  H      7.44725627      9.12516612    -12.49882392
  O     15.60588367      6.70535007     -8.74116570
  H      7.09981715      6.77205594    -13.03277595
  H      9.95082665      5.09942499     -6.81041059
  O     10.38766140     10.42321893    -11.49921268
  H      8.16910107      4.36451361     -7.92450664
  H      8.89081818      6.19385121     -6.59668007
  O     12.76262811      4.39695939    -11.10878256
  H      7.46616978      3.07424444     -8.40875347
  H     11.69189599      6.87293017     -7.37989096
  O      7.70656983     10.37117554    -11.03801710
  H     14.69159651      4.99691998     -8.60472585
  H     10.75942474      8.03899344     -6.96499603
  O     11.61663581      5.12424495     -7.68755048
  H     13.75904310      4.14135556     -9.48632215
  H      6.90237071      5.25589763     -9.65343276
  O     10.21600371      4.56524582    -10.05166407
  H     13.39619105      6.11042307    -10.91047468
  H      6.68303111      5.87656953    -11.05625492
  O      7.54402391      8.46323341    -13.19280972
  H     14.49199442      6.95432364    -10.21329943
  H     12.35894055      3.88408366    -14.61944269
  O      9.00539767      5.23870236     -6.66094815
  H     11.25815237      7.91408119    -13.41591268
  H     11.27416913      4.67613422    -13.85328962
  O     11.66789873      7.82834001     -7.20995095
  H     10.13835378      7.75723241    -12.33707253
  H      8.76804475      5.32297639    -13.48365780
  O      6.56027010      6.03354668    -10.11164357
  H     15.21536106      7.18843551     -7.99303522
  H      9.87895041      6.32597058    -13.79793641
  O     12.22071707      4.44689363    -13.86237260
  H     16.54965248      6.83282577     -8.68938753
  H      7.17157195      7.53981345     -9.48467068
  O      9.66604431      5.38481213    -13.82650800
  H     10.99711029     10.05927803    -10.84262029
  H      7.58757061      9.03540719     -9.77013401
  O      7.71156432      8.28571464     -9.17503656
  H     10.46726077      9.83926414    -12.26303890
  H     13.41216918      8.01648530     -6.78090221
  O     14.37583183      8.00867467     -6.67016446
  H     12.68529120      4.29819237    -12.06560764
  H     14.53439837      8.18577521     -5.74614455
          69
 Energy    -248.77627702354835     
  O     12.91561658      7.02880834    -15.26503841
  H     12.25132570      7.50363762    -14.75364866
  H     11.44020235      6.08051852     -9.08756052
  O     11.43924874      8.69341230    -11.12789777
  H     13.78350279      7.36609337    -15.00571363
  H     13.84498243      4.36421632    -12.45627056
  O     16.96908908      5.83259973    -10.53277066
  H     12.37289151      8.77962856    -11.36613966
  H     13.63343447      3.80217976    -13.88339904
  O     12.55513538      2.01870933    -11.40496226
  H     11.00185269      8.48906606    -11.96249586
  H     12.76275157      5.90254875    -10.65530765
  O     14.29789924      7.34306998     -7.78838038
  H     16.60211624      6.70295529    -10.31873295
  H     12.18559685      5.56654843    -12.05350260
  O     17.90067127      9.08033470    -14.01807268
  H     17.92444112      5.95143815    -10.60298112
  H     19.48526985      6.44917590    -12.08847540
  O     16.38301963      5.32594948    -13.20779460
  H     12.85476252      2.23948926    -10.51282352
  H     20.52006328      6.26872022    -10.95108032
  O     10.04105287      2.99260751    -11.55211420
  H     13.18623921      2.42690476    -12.01076445
  H     14.56933224      8.22031081    -12.77864719
  O     18.22278947      9.05806488    -11.31728655
  H     13.44488916      7.20636386     -8.23969512
  H     13.73432684      7.32279331    -11.84507144
  O     13.19775783      2.86006012     -8.78120650
  H     14.09755242      7.66263986     -6.91280563
  H     14.88206538      5.59810194     -8.28794125
  O     10.82084992      4.40131351     -9.14349029
  H     18.29592912      9.86478792    -14.38845726
  H     15.79860120      4.97029290     -9.35436381
  O     12.02655577      6.84803958     -9.15714129
  H     17.99584342      9.14848245    -13.05089400
  H     15.41875522      8.11859472     -9.08391529
  O     14.14298690      3.67465450    -13.07264169
  H     16.54316641      5.47556180    -12.26431372
  H     15.24581258      8.39529259    -10.60046039
  O     13.00947410      5.68202409    -11.56149347
  H     15.72638176      4.62182876    -13.26505370
  H     18.10507710      5.89287413    -13.71675125
  O     19.62679502      6.54848815    -11.12958908
  H      9.40177267      2.28564848    -11.55194932
  H     18.67335577      7.29503325    -14.00346694
  O     14.09226746      8.21837914    -11.93985318
  H     10.92336965      2.57751317    -11.53069568
  H      9.76158994      8.06184110    -14.17990090
  O     15.10618076      4.76247887     -8.71453082
  H     17.45211866      8.95675730    -10.74299998
  H     10.49063634      6.87684239    -13.50932871
  O     15.90299571      8.33360219     -9.88990747
  H     18.79180075      8.30005674    -11.13539972
  H     16.24845402      8.27873872    -14.32587330
  O     18.92930249      6.39808956    -13.75537735
  H     13.90634222      3.52800331     -8.77847690
  H     15.74988372      6.85964530    -13.96077825
  O     10.56052917      7.82441770    -13.71458625
  H     13.38711457      2.26262082     -8.06224745
  H     12.66685005      5.32881299    -15.32328624
  O     15.46032418      7.72299864    -14.29344178
  H     10.41657187      3.98391205     -9.91162721
  H     12.37283848      4.02772437    -16.11354912
  O     12.45566646      4.38056332    -15.23218540
  H     11.59323671      3.85899363     -8.93301626
  H     10.37391170      4.40557505    -12.63542409
  O     10.72324025      5.14003648    -13.15719663
  H     11.65622882      7.49572039     -9.77486674
  H     11.22005501      4.76579923    -13.89800785
          69
 Energy    -248.77618106512506     
  O     14.33246392     11.73058380    -10.84539487
  H     15.12422631     11.21676692    -10.59874154
  H     13.30241463      6.35443965    -14.54175436
  O     13.12379326      5.20437746    -11.43937582
  H     14.49440989     12.62896769    -10.56741172
  H     16.97417634      5.14674885    -15.35589758
  O     16.55338590     10.46349280    -15.07142906
  H     13.31175511      5.91307547    -10.81062630
  H     15.64677469      5.59815117    -14.68959855
  O     17.29714386      9.29860891    -12.65963434
  H     13.97519833      4.80188541    -11.64549124
  H     17.67384670      6.24538942    -13.60566208
  O     14.65074425     11.92134303    -13.75005848
  H     16.00403140     11.11753126    -14.61518152
  H     18.97827136      7.00736857    -13.90744704
  O     13.87051160      7.50208277     -9.96159746
  H     15.93535298      9.85325379    -15.49868764
  H     14.56689990      7.82152158    -11.65414070
  O     14.60531775      8.86410651    -16.28318769
  H     17.14011069      9.73233624    -13.50823302
  H     15.61918306      8.58013761    -12.52516343
  O     12.56027766     10.52845608    -15.16714127
  H     17.74094903      8.45764639    -12.83722561
  H     13.01999241     10.59931794    -10.38807805
  O     17.86868280      5.56873597    -16.93026290
  H     13.88080378     11.56210087    -14.20878771
  H     11.75641835     10.32352138     -9.53769506
  O     11.74222717      6.25998942    -13.61877838
  H     14.48969466     11.80524614    -12.80752836
  H     16.00825713      4.37639981    -12.96042686
  O     17.29531522      6.07927637    -10.69510862
  H     13.34001048      8.30513509     -9.89504110
  H     15.85372710      3.16782679    -12.01467108
  O     14.21154316      6.62321384    -14.73392057
  H     14.66918932      7.62308847     -9.43140248
  H     16.77533763      7.16670270     -9.46947218
  O     16.48170303      5.13230157    -14.52605378
  H     14.43981974      8.02692431    -15.82387353
  H     16.80023893      7.56669806     -7.97496980
  O     18.34634311      6.80946748    -13.20131428
  H     13.87075429      9.44722481    -16.05972279
  H     19.21567491      6.67669956    -16.05438957
  O     14.75948107      8.14468700    -12.54345073
  H     12.31327632     10.01012489    -14.38198220
  H     19.46152831      8.18791819    -15.89548016
  O     12.35429005      9.92686569    -10.16645770
  H     11.74732631     10.82482346    -15.56876331
  H     16.50260967      9.48681246     -9.65091608
  O     15.73904145      4.11434659    -12.06491321
  H     17.44122712      6.37233208    -17.27774754
  H     16.90813261     10.00192320    -11.04788690
  O     16.40701707      7.78867991     -8.81437940
  H     18.06574801      5.01656883    -17.68231769
  H     17.48565227      8.59401253    -17.53716757
  O     19.69975539      7.32696015    -15.53013772
  H     12.12260595      5.81648428    -12.84351026
  H     15.98591430      8.25160196    -17.41320747
  O     16.48624842     10.26681635    -10.21694355
  H     11.63612213      7.18273089    -13.36443002
  H     17.99616992     10.13671884    -16.05983205
  O     16.82483497      7.92853866    -17.76633038
  H     16.73698131      5.36520767    -11.02546407
  H     19.15985009     10.54417582    -16.99041983
  O     18.69129486      9.78909609    -16.64365500
  H     17.83035477      6.35523579    -11.45037514
  H     11.99028286      9.38346971    -11.99069311
  O     12.18388804      9.08365418    -12.88499843
  H     14.49897784      7.11593317    -13.94823040
  H     13.10333337      8.77440562    -12.84994954
          69
 Energy    -248.77579005936195     
  O     -7.16709239     -3.79273941      4.09119942
  H     -6.57996933     -3.28367871      4.67768874
  H     -6.15619495     -1.43565555      0.84388369
  O     -9.62030131     -1.24504490      1.96673614
  H     -6.95399405     -4.71248262      4.23166254
  H     -3.50502418      2.56379488      3.57872167
  O     -7.26316864     -2.64981051      1.44301145
  H     -8.94483101     -0.93423054      2.59064348
  H     -4.70350330      1.97707352      2.78672698
  O     -5.74359782      2.06389191      1.29218298
  H    -10.35282126     -1.57986736      2.50132292
  H     -6.76755310     -0.43415644      3.63275234
  O     -5.95573623      0.01927998      7.33354614
  H     -7.16917283     -3.07588289      2.30441929
  H     -7.97793176     -0.26779249      4.60699323
  O     -6.41579910      5.86114854      3.93995862
  H     -8.16136882     -2.29334671      1.43126750
  H     -5.62091380     -1.58544246      6.26513542
  O    -10.60719268      1.19931767      1.18803608
  H     -6.66113375      2.15820184      1.59044637
  H     -5.11742125     -1.79697184      4.82698590
  O     -9.57533365     -2.77375464      5.28812220
  H     -5.66350899      1.17034139      0.93868280
  H     -1.86991478      4.57723604      3.13872704
  O     -4.88605730     -0.77042143      3.36973987
  H     -5.64481824      0.18038391      8.22095309
  H     -3.38260013      4.48782458      2.81264352
  O     -4.81179610      4.73123091      1.82489076
  H     -5.84966103      0.85386960      6.84624075
  H    -10.49008419      1.67419991      5.30195840
  O    -11.62116206     -1.91265640      3.78949902
  H     -5.72573456      5.61651383      4.58230824
  H     -9.29924470      2.61617354      5.62797943
  O     -5.50043152     -0.75174477      0.61674245
  H     -6.59561214      6.78904769      4.06833229
  H    -11.33404939      1.18490958      3.03488658
  O     -4.15665629      1.85332990      3.57741445
  H    -10.27987570      0.29383800      1.32793576
  H    -11.63277447      0.01678843      3.98345241
  O     -7.69156456     -0.16794225      3.68918193
  H    -11.09731527      1.19446129      0.37036118
  H     -7.72487615     -0.29582296      6.81906016
  O     -5.49246287     -2.26100605      5.59102762
  H     -9.24723180     -2.00713587      5.78120063
  H     -9.03784969      0.40402435      6.32355987
  O     -2.70032252      4.24222104      3.46460869
  H     -8.80598923     -3.17354811      4.86705941
  H     -4.83074735      4.04532341      5.89101431
  O     -9.84807310      1.91065097      5.98841037
  H     -4.48292303      0.09494717      3.52774516
  H     -3.74867291      4.70893054      5.00946877
  O    -11.51747380      0.97462088      3.95642648
  H     -4.96254878     -0.86583085      2.41308266
  H     -5.19349404      2.11449944      5.05095957
  O     -8.54249373     -0.43129812      6.32794280
  H     -5.47819013      5.11306619      2.41045723
  H     -6.55913376      2.70322999      5.50467520
  O     -4.48249570      4.90005439      5.60771577
  H     -5.17699657      3.90884916      1.47567154
  H     -8.07758422      1.33977282      2.87963233
  O     -5.73679036      2.30874635      5.82801556
  H    -12.39707936     -2.45208723      3.91084835
  H     -9.08764491      1.99059211      1.89266716
  O     -8.26405052      2.14560135      2.36917779
  H    -10.93532159     -2.26771716      4.38544117
  H     -7.54850269      4.45664664      4.46048974
  O     -7.94280374      3.60524378      4.68325255
  H     -5.00568641     -1.09105885     -0.12523844
  H     -8.12098699      3.16343617      3.83999993
          69
 Energy    -248.77549717124333     
  O     16.63355604      9.34635330    -10.68052352
  H     15.83905859      8.92710371    -11.03598429
  H     13.37539338     10.33223610     -7.00940328
  O     14.71947065      6.20702111     -4.98648390
  H     17.35728535      8.70385458    -10.72377892
  H     14.17674302      9.36437615     -4.98293921
  O     17.32965819     11.83942237     -9.84214959
  H     15.10815737      7.01268301     -4.62397595
  H     12.87833135      8.72834374     -5.52570584
  O     12.13974959      7.03508735     -5.86946929
  H     13.80112805      6.42236879     -5.19742606
  H     16.84900360      4.64698888    -11.65259296
  O     14.30337747      8.00533471    -11.38765135
  H     17.66733190     12.35908460    -10.56797683
  H     16.56239121      3.15954911    -11.33267630
  O     18.64336208      7.48493606    -10.60711787
  H     17.06702434     10.97988695    -10.21437412
  H     15.35808158      6.07968516     -6.64664365
  O     20.67681728      8.72961435     -9.12639808
  H     12.14384967      6.92645028     -6.83628149
  H     15.62388629      7.18059758     -7.71380946
  O     17.87377579      5.41692128     -8.89179762
  H     11.30152224      6.69912566     -5.56259198
  H     18.02485453      6.48994365    -12.12082521
  O     12.14622641      6.81781310     -8.58948545
  H     13.57434861      8.50768512    -11.00434667
  H     16.87281209      6.40049384    -13.15793657
  O     15.31459224     12.66836333     -8.06180877
  H     14.34622639      7.16230847    -10.91190608
  H     14.96042362      7.62848298    -13.04775361
  O     12.26162009      9.32914229     -9.97749869
  H     18.38089604      6.77892802     -9.99787582
  H     14.86282896      7.37106568    -14.55965490
  O     13.50511170     10.59699339     -7.93412826
  H     19.42218440      7.90495753    -10.22181003
  H     14.95214496      9.46394600     -7.99207693
  O     13.35093207      9.56673676     -5.43874252
  H     21.59913972      8.96456338     -9.17883913
  H     16.07712071      9.04658396     -8.98214492
  O     16.47849449      4.04237304    -10.98351482
  H     20.21317821      9.48941192     -8.73129187
  H     18.71570558     10.28297328     -7.26657714
  O     15.62778191      6.22449807     -7.56281902
  H     17.52470512      4.79810809     -9.54337317
  H     18.57327747     11.15670926     -8.54129174
  O     17.51771991      5.87462002    -12.66456785
  H     17.11745426      5.66369240     -8.33645674
  H     16.56082020      8.87884574     -4.84650690
  O     15.47728305      7.38097850    -13.82992754
  H     12.08883795      7.65329110     -9.06799115
  H     16.17125748      8.97288370     -3.35668571
  O     15.73962421      8.91546545     -8.08743188
  H     12.77229659      6.27363823     -9.08230474
  H     14.76631498      5.80149361     -9.05516122
  O     19.21372683     10.71083455     -7.97571313
  H     16.02135609     12.42654272     -8.67809682
  H     14.96457325      5.00491521    -10.35910936
  O     15.82741967      8.75965465     -4.22081847
  H     15.73224486     13.17421678     -7.36786922
  H     19.00144528      6.35564378     -7.63542058
  O     14.37796892      5.63834707     -9.92927352
  H     11.49689250      9.82757994    -10.25366892
  H     19.97527657      7.53860269     -7.75332347
  O     19.41333194      7.06562775     -7.12777075
  H     12.67642115      9.83056964     -9.25335849
  H     17.02499852      9.04342863     -6.86846679
  O     17.72496713      9.04937075     -6.19746269
  H     14.05091299     11.39520193     -7.95616202
  H     18.31490993      8.30751164     -6.40225968
          69
 Energy    -248.77532136082368     
  O      0.06145601      2.96404417      4.61634822
  H      0.14817766      3.57958510      3.87833223
  H     -0.20414290      0.13733739      1.89920953
  O     -2.23719291      1.64096454      3.98300532
  H     -0.79892250      2.54032761      4.47199929
  H     -2.10758835     -2.53914449      1.79410361
  O      0.05870007      1.05623227      6.83394712
  H     -1.84710707      1.21829160      3.20079353
  H     -3.30209516     -1.72528642      2.39042852
  O      2.87486083     -1.12755976      0.04743770
  H     -3.18265189      1.72230121      3.81309921
  H     -4.67337678      1.60282390      2.26169539
  O     -0.09965636      1.91284879     -1.93002788
  H     -0.68849593      0.50602426      6.56331851
  H     -5.71808354      1.92702569      3.35670066
  O     -1.07217500     -0.75957581     -1.50165432
  H      0.04152495      1.83932237      6.27138244
  H      2.03121427     -0.58668844      1.57983597
  O     -4.12171533     -1.24237726      3.86627623
  H      3.64678225     -1.64502370     -0.16227372
  H      1.86282004      0.34475791      2.83571841
  O     -3.80949670     -0.70403438     -0.64052471
  H      2.09721333     -1.68965879     -0.12906607
  H     -0.02443182     -1.96524841     -0.68804292
  O     -1.38259174      2.72440607      0.40498772
  H      0.77519100      1.79681215     -1.51304375
  H      0.18393192     -2.87215549      0.56400695
  O      2.24652726      1.54909125     -0.69711508
  H      0.05692527      2.24769793     -2.80842097
  H      1.43938817      0.03606915      6.51444724
  O     -0.60135002     -3.49808250      2.29613825
  H     -2.01689275     -0.68653163     -1.32711796
  H      2.72141617     -0.72968347      6.91707295
  O     -1.13090695      0.40240880      1.82569849
  H     -0.76069171      0.13489977     -1.68345586
  H      1.80297853      3.50549329      1.79462951
  O     -2.77676867     -1.87642464      1.58855579
  H     -3.46540735     -1.15100958      4.56868187
  H      2.75523500      2.54359008      2.52193856
  O     -4.90472892      1.45645213      3.19679561
  H     -4.49076222     -0.36293602      3.71547855
  H     -1.10573106     -1.12089175      5.05811011
  O      1.44821649     -0.35382899      2.31131538
  H     -3.50162744     -1.20695577      0.13400301
  H     -1.97762502      0.16304737      4.97468672
  O      0.61079832     -2.53874864     -0.23015984
  H     -4.47648800     -1.23695592     -1.06655541
  H      1.05706346     -1.67394754      5.04514846
  O      2.15767900     -0.52827705      6.17490376
  H     -0.99660053      2.57520321     -0.46817182
  H      0.80580806     -1.39728351      3.56249499
  O      2.59525518      2.96817417      1.67142402
  H     -1.28390904      1.88408038      0.88089784
  H      2.50105177      0.83989806      4.82777526
  O     -1.82510874     -0.64344611      5.49171382
  H      2.43502740      2.05636555      0.10560305
  H      1.60133418      2.00523210      4.34510468
  O      0.47515968     -1.91459428      4.31511667
  H      2.53425798      0.64512720     -0.52756997
  H     -3.25493037      2.28232043      0.49548185
  O      2.39400219      1.49215144      4.12586251
  H     -0.22769264     -3.04719821      3.07004131
  H     -4.04262365      1.00878178      0.11943311
  O     -4.09142203      1.82267180      0.63714738
  H     -0.54961216     -4.43417504      2.47670118
  H     -0.04375829      5.25432053      1.90004943
  O      0.10419743      4.33492031      2.10891874
  H     -1.66190995     -0.38512554      1.66000051
  H     -0.45855682      3.82075030      1.50678265
          69
 Energy    -248.77530869482609     
  O     19.81436888     11.15519106    -10.80907421
  H     19.38468052     11.22191211     -9.94700141
  H     18.82313180     11.15120445    -12.36800476
  O     18.50339728      6.95719902     -9.30321326
  H     20.76945617     11.23604280    -10.68656555
  H     22.59398052     10.21893131     -9.96802081
  O     19.83481211      5.12918172    -12.21244140
  H     19.01161236      7.46447863     -9.96058282
  H     23.30089209     11.53757032    -10.36888580
  O     22.45456710      8.92171813     -8.87246565
  H     17.97040227      6.32800121     -9.81019246
  H     19.33761568      7.76922740    -12.86285759
  O     17.15500970      5.35973095    -11.10209211
  H     18.95422731      4.98468805    -11.84079313
  H     19.61095519      8.08427561    -14.33830912
  O     22.17397332      6.96019914    -11.89843867
  H     19.69037918      5.76228152    -12.92998713
  H     20.48485396      4.92203353    -10.41851643
  O     19.98199195      8.77416591     -7.62049088
  H     21.62687494      8.87490682     -8.37209904
  H     19.95805514      5.63267682     -9.17383379
  O     14.19367354      7.86364151     -9.48124119
  H     22.78064759      8.01891299     -8.94910152
  H     14.80997924      6.50163053    -13.14243442
  O     23.13907807      6.20159762     -9.36690172
  H     16.28731918      5.09851490    -10.77095675
  H     13.57820249      7.25308335    -12.62323755
  O     19.80920245      8.37961622    -11.20145940
  H     16.97476513      5.96522227    -11.83731320
  H     16.39857509      9.47639496    -11.12080274
  O     18.33058267     11.00281961     -8.41222991
  H     22.64374938      6.70760676    -11.09270262
  H     16.85540706     10.10853026    -12.48029789
  O     18.29030145     10.90225440    -13.13619946
  H     21.55291319      6.24884743    -12.09020747
  H     16.41886194      7.96934400    -12.81907061
  O     22.59256192     10.94925282    -10.61503798
  H     19.44655954      8.05955165     -7.98391980
  H     17.46109692      7.15016061    -13.61102362
  O     19.26195022      7.39926314    -13.75718016
  H     19.46749499      9.57880310     -7.75680822
  H     22.46576554      8.58571013    -12.78842553
  O     20.67794792      5.07171028     -9.48361044
  H     14.25286815      6.92034660     -9.67504185
  H     22.53149164     10.05068871    -12.30703764
  O     13.91322633      6.36608851    -12.80478121
  H     13.78268887      8.26827470    -10.25563328
  H     15.74061057      8.69268677     -9.24675518
  O     16.15538724      9.59654491    -12.04779035
  H     23.80072587      5.61541092     -9.01037985
  H     17.24335130      8.30935555     -9.25130629
  O     16.58839041      7.09632467    -13.20116020
  H     22.28470424      5.73837109     -9.30024041
  H     12.91096047      9.80094788    -12.25599226
  O     22.39671565      9.50208764    -13.08865926
  H     20.71759816      8.06774008    -11.30281023
  H     14.38091775      9.35804037    -12.08003987
  O     16.63604705      9.05775791     -9.31276193
  H     19.82665242      9.33947612    -11.10620272
  H     21.09890225      9.71533104    -14.24110000
  O     13.45738081      9.06849548    -11.98344749
  H     17.63521835     10.38672961     -8.70132543
  H     20.65278598     10.08578451    -15.67441155
  O     20.33157675      9.75512208    -14.83997970
  H     17.91348178     11.63733787     -7.83485119
  H     14.16565579      5.49280740    -11.30222410
  O     14.41750293      5.13647010    -10.43073365
  H     18.91373295     10.56224209    -13.78773145
  H     13.81830944      4.41878132    -10.24310905
          69
 Energy    -248.77521682483768     
  O     14.90819163     12.47323887    -14.81738985
  H     15.85595732     12.35612284    -14.69772107
  H     17.65872584      5.65999508    -15.70134021
  O     14.39113255      6.83228593    -13.65732043
  H     14.66441041     11.93564829    -15.58561175
  H     16.39530969      9.13675499    -15.00321994
  O     17.99640372      7.81097470    -11.63115375
  H     14.78874081      7.63308033    -14.03463116
  H     14.95830412      9.63618158    -15.23444693
  O     18.00184991      9.43357992    -15.82095707
  H     13.78145750      7.13856354    -12.97474198
  H     13.69255393     12.20532414    -13.59728255
  O     12.14305624      8.78110216    -16.54081414
  H     17.50352650      7.05427901    -11.98265755
  H     12.46973621     12.77979087    -12.84697413
  O     14.89182644      8.75889922     -8.78670225
  H     17.91744053      7.76282369    -10.67028927
  H     16.38197674      6.01459469     -9.56217808
  O     12.81972592      8.04839510    -11.71604881
  H     18.56169886      8.85530856    -15.27740604
  H     16.06578050      5.31378443    -10.89904165
  O     16.67829591     10.12615099    -12.35844487
  H     18.02054667     10.31123517    -15.41751354
  H     12.20349567     10.39543120    -13.66000867
  O     13.31237666      6.45413558     -9.46502855
  H     12.00500882      9.01417616    -15.60451806
  H     12.05395602      8.93374364    -13.20222473
  O     16.81631342      6.74972200    -16.82231872
  H     11.27849838      8.71590485    -16.93749844
  H     19.00598410      7.79581673    -13.23883697
  O     14.08877101      6.65214763    -16.43231107
  H     14.26426013      8.03338014     -8.89500835
  H     19.04989600      6.80347335    -14.41881338
  O     18.15302357      5.19731843    -15.00280708
  H     14.63939609      9.42886446     -9.43495646
  H     15.79475055      5.97378310    -13.01656030
  O     15.51123975      9.14688774    -14.61342328
  H     13.32954602      8.83242167    -11.46580158
  H     17.14759358      5.32483770    -13.41297737
  O     12.99680669     11.99152607    -12.95083190
  H     12.84240749      7.45617485    -10.95426785
  H     16.49694064      8.06573377     -8.83411391
  O     15.76245580      5.40858223     -9.98634109
  H     16.14254352      9.80326743    -13.10156911
  H     17.78287684      7.64865030     -8.08143762
  O     11.89900463      9.52677198    -13.94814335
  H     17.19279735      9.36909876    -12.04603792
  H     17.11519585      9.59474089    -17.51042394
  O     19.27157785      7.70741328    -14.16331666
  H     14.15152889      6.00376370     -9.67026478
  H     16.40484364      8.51949318    -18.34084665
  O     16.62064301      5.61228815    -12.65874404
  H     12.80374018      5.85592903     -8.92457717
  H     13.77781530     11.00250314    -11.56779771
  O     17.33635316      7.57913295     -8.92081246
  H     15.84898561      6.72182526    -16.73528655
  H     15.16082536     10.34149257    -11.38827961
  O     16.41325938      9.46289761    -18.16328708
  H     17.09737580      7.63747190    -16.58477876
  H     18.35033607     12.45372428    -13.97955666
  O     14.26343637     10.36774437    -11.02635423
  H     14.07163507      6.49806911    -15.47749822
  H     17.43709508     11.30542989    -13.48879094
  O     17.71509265     11.80575018    -14.27505711
  H     13.41444596      7.32301115    -16.58818311
  H     13.49953328     10.00810182    -16.81034579
  O     14.29111720     10.55412272    -16.72264670
  H     18.55447412      4.43445453    -15.41073525
  H     14.95488572     10.21770659    -17.34154737
          69
 Energy    -248.77492681372638     
  O     16.32498557      5.17015127    -16.54256907
  H     16.25060640      6.13068345    -16.61887749
  H     15.64112851     11.30626178    -17.30545498
  O     18.66470028      7.35923632    -10.31238912
  H     15.42774226      4.86591966    -16.35698607
  H     16.19888857      9.15509275    -11.38707729
  O     13.00531127     10.82849266     -9.87618220
  H     19.55411850      7.13812767    -10.04452852
  H     15.01733396      9.67829439    -12.23546573
  O     17.91295927      4.05445201    -14.64455327
  H     18.49814074      6.87101311    -11.13583459
  H     13.06229777      3.88867729    -15.86588225
  O     12.52142326      7.98558108     -9.70380564
  H     12.34414425     11.48560538     -9.67290141
  H     14.20391183      4.05466472    -14.83680019
  O     16.39791753      6.11035576     -9.02046528
  H     13.34447012     11.04107334    -10.76163153
  H     15.11946583      9.15764949     -8.14318863
  O     13.67392754      6.98848866    -11.98473552
  H     17.41084038      4.47585005    -15.36579719
  H     14.59123856     10.36894767     -8.92717213
  O     14.48332603      7.46028384     -7.68131355
  H     18.55419929      3.48168507    -15.05679473
  H     16.37436720      5.43631545    -11.91650573
  O     15.73296436      7.88331636    -16.30098506
  H     13.11188842      7.74414213     -8.97867889
  H     14.85272795      5.66933731    -11.66047612
  O     18.00070208      6.04835207    -12.66220201
  H     12.58025784      8.94604566     -9.77403453
  H     17.26329695     12.86394490    -11.67287680
  O     17.43454606     11.04331427    -14.66372496
  H     17.20102380      6.54665013     -9.32349511
  H     17.17689089     11.34463363    -11.42282717
  O     15.55100751     10.68389507    -16.58928867
  H     16.06711155      5.61451927     -9.78206482
  H     17.95225820      9.12776557    -10.22483123
  O     15.58589049      8.91143160    -12.09162916
  H     13.12343500      7.22890925    -11.22652097
  H     16.79066022      9.97118331     -9.57679974
  O     13.71716818      4.50565727    -15.54994075
  H     14.39659108      7.63582645    -11.99509533
  H     13.87472921     11.01514075    -13.19548261
  O     15.39076274      9.99856298     -8.53329655
  H     14.35183039      7.05819075     -6.82705019
  H     15.02511245     11.71441783    -12.36030128
  O     15.59032383      5.06434529    -11.48964827
  H     15.17047550      6.93841456     -8.13316350
  H     13.45769805      6.31970837    -15.08745997
  O     16.91604739     12.05228899    -12.03571047
  H     15.66428686      8.80491346    -16.57655711
  H     13.48568489      7.13165148    -13.78178640
  O     17.43666581      9.93863048    -10.30348142
  H     14.94559171      7.68282687    -15.77132496
  H     16.20044328      3.39134452    -13.97954477
  O     14.14929975     11.31297962    -12.31271662
  H     17.84975344      6.83589052    -13.20739141
  H     15.28852193      3.79018608    -12.81355864
  O     13.51321113      7.22142359    -14.74557394
  H     18.09318200      5.30930356    -13.27637416
  H     13.35275325      9.19114077    -14.73662786
  O     15.29081524      3.33157800    -13.66480160
  H     17.61884212     10.11366673    -14.47118745
  H     14.12010103     10.36067301    -15.39551179
  O     13.51414659     10.13987957    -14.67703731
  H     17.31746445     11.46913952    -13.80700928
  H     16.87608977      8.07521074    -14.90507474
  O     17.35587658      8.28553595    -14.09219171
  H     16.24176683     10.89898167    -15.93702525
  H     16.68729150      8.52309593    -13.43023750
          69
 Energy    -248.77480432634826     
  O      2.21244338     -0.65873666      4.62342787
  H      1.92858701      0.25075036      4.45568620
  H      1.01894375     -0.81883638     -0.40625999
  O      2.00796124      3.20423349      6.57503334
  H      1.80544327     -1.21470473      3.94468426
  H     -2.99331593      2.25429417      1.45458233
  O     -1.84797981     -3.75106254      7.66606865
  H      2.60034251      3.90862133      6.82377872
  H     -2.34741157      0.86671173      1.68542442
  O     -2.76508393     -1.10027922      8.47136943
  H      2.22964832      2.43947569      7.13477938
  H     -1.92100218      1.83417516      3.75636117
  O      2.98045922     -4.26418499      6.49516505
  H     -0.93228469     -3.75605085      7.98150588
  H     -1.92620729      0.89064684      4.99153737
  O      0.76372692     -2.22554033      2.84897374
  H     -2.22892689     -2.92079459      7.97131767
  H     -1.30298293     -0.91538881      0.83975511
  O      1.15169188     -4.44153287      4.53020445
  H     -1.97016577     -0.56067639      8.61336233
  H     -2.22479943     -1.45518285      1.95503201
  O      3.50155978     -1.48866824      6.92063877
  H     -3.37377504     -0.87458076      9.17045322
  H      0.09898553      3.09507820      6.98306179
  O      2.39155165      0.96741224      8.09492020
  H      2.37267796     -4.35753627      5.73883371
  H     -1.17305526      2.55743187      6.29794344
  O      2.59397272     -1.84063843      9.58617683
  H      3.56307378     -5.01847226      6.47687794
  H     -0.41277346      1.86988115      1.59246858
  O     -1.96500839     -2.43560725      3.52907852
  H      0.80235114     -1.83370294      1.96776306
  H      0.90239540      1.81853661      2.39231671
  O      0.58979863     -0.81886227      0.44467076
  H     -0.17045536     -2.24543307      3.10063024
  H      0.44164574     -2.13503907      6.93861243
  O     -2.31165662      1.80454911      1.94642824
  H      1.13200027     -3.75137523      3.85456186
  H      0.93134041     -1.14783359      5.82750094
  O     -1.58347964      1.73006946      4.65462251
  H      0.23053912     -4.61732661      4.75657489
  H     -2.09502855     -5.56435028      5.10738557
  O     -2.17705237     -0.81154047      1.23569830
  H      3.22156261     -1.12726976      6.06667192
  H     -1.76129712     -4.37461448      6.03467281
  O     -0.79214672      2.77102872      7.16033120
  H      3.45717451     -2.44663264      6.79927276
  H     -0.60828849      1.24801822      8.07969872
  O      0.52841015      1.67027427      1.51389920
  H      1.49082268      0.73526093      8.35743624
  H     -0.15259555     -0.19904394      7.71706399
  O      0.19322922     -1.36871195      6.40733390
  H      2.78589488      0.17375717      7.71509500
  H      1.55444401     -3.91584964      7.66409400
  O     -1.64041558     -4.72619375      5.13489608
  H      3.04448420     -1.72417195      8.73618268
  H      1.33761981     -2.93775808      8.83667061
  O     -0.39485507      0.37928198      8.45717970
  H      2.52171253     -0.95844058      9.94939055
  H      0.22238035      1.79782370      4.41369888
  O      0.86908213     -3.47116584      8.17864126
  H     -1.93150962     -3.29536354      3.96698249
  H      1.53487865      2.42225887      4.95637376
  O      1.17408223      1.87386703      4.24900719
  H     -2.23894712     -1.80738882      4.21241248
  H     -1.42404946     -1.02125307      5.85150926
  O     -2.33922776     -0.74214617      5.67369394
  H      0.64633841      0.09052393      0.79057421
  H     -2.78392948     -0.80887371      6.52463956
          69
 Energy    -248.77465566340987     
  O     -1.64919690      2.83044754      2.95656444
  H     -2.06945443      2.84709621      2.08716086
  H      1.14909238      2.03847822      1.62148008
  O     -3.29336162      5.79591252     -0.05493540
  H     -1.48650253      3.75318924      3.19692182
  H     -0.54885607      4.37308599     -3.62717148
  O      3.07534029      5.98403712      0.58487892
  H     -3.19414087      6.36969770      0.71596783
  H      0.06572938      3.66852850     -2.40018469
  O      2.01779294      7.76816970      2.44014717
  H     -2.50396282      5.97900077     -0.58979522
  H      0.60666273      9.34801613     -1.96173398
  O     -0.94770931      6.25326919     -1.31353774
  H      3.52660909      5.15670769      0.78916481
  H      0.44867760      8.77116912     -0.53704347
  O      0.43744540      5.08213538      0.85106297
  H      2.94786374      6.02905709     -0.37540459
  H     -1.58955776      1.66227499     -2.56680412
  O     -2.34156145      7.42306339      1.98441741
  H      2.53489810      7.23286183      1.82222916
  H     -2.29015458      2.34843060     -3.74915606
  O     -0.49398787      2.37042826     -1.22523761
  H      1.90790137      7.23648921      3.23737948
  H      1.96049669      2.93886140      3.77428333
  O     -0.80430134      5.47075721      3.29495497
  H     -0.50016194      7.09865946     -1.43533257
  H      3.17658868      3.58929094      3.08347920
  O     -2.70238736      3.10270241      0.34894448
  H     -0.58585548      5.63718583     -1.96481508
  H     -4.44680686      3.74400790     -2.17107761
  O      0.01565579      9.05359053      1.18340824
  H     -0.08036970      5.47228113      0.13675027
  H     -4.04263472      5.13870847     -1.66494704
  O      1.39294210      2.47902986      0.79657302
  H      1.31971840      5.47572531      0.81151197
  H     -2.60789372      4.47277385     -5.21245274
  O      0.18962126      4.41554676     -3.00453785
  H     -1.91683910      6.78467279      2.57439300
  H     -2.94995565      4.42573264     -3.70647485
  O      0.63184110      8.53575292     -1.46178082
  H     -1.62509081      7.97725108      1.65840055
  H      0.56405934      0.75712579      3.79290654
  O     -2.31848111      1.55886371     -3.19497123
  H      0.23951051      2.19860744     -0.62298958
  H     -0.19191578      1.99636299      3.25317543
  O      2.60218384      3.65618729      3.85436535
  H     -1.23402633      2.66170084     -0.67197138
  H      1.83796357      6.18485244      5.58228888
  O     -4.18886180      4.62482079     -2.46978310
  H     -0.09483390      5.70414090      3.90399641
  H      1.99905559      5.18982230      4.40963812
  O     -2.26994517      4.19562170     -4.36494354
  H     -0.37820547      5.33863068      2.43272549
  H      3.09838744      2.97403755      1.01132432
  O      0.68943672      1.58742039      3.34271495
  H     -3.37466807      2.62570394     -0.15329653
  H      4.63798270      2.81852618      0.98926013
  O      1.60265346      6.04055953      4.66973914
  H     -2.92697716      4.04256447      0.28717962
  H     -5.10621484      1.23276610     -1.58562073
  O      3.93357980      3.38486914      1.29378843
  H      0.72673546      8.59761595      1.67011760
  H     -3.73971272      1.68084990     -2.16022138
  O     -4.44778396      1.91989054     -1.53561430
  H     -0.12469528      9.88640362      1.62768663
  H      1.71393588      5.57079617     -2.47086303
  O      2.30957040      6.20040293     -2.04676378
  H      0.98760760      3.36164664      0.82206084
  H      1.81582837      7.02496775     -1.95979053
          69
 Energy    -248.77428835483576     
  O     11.36205781     11.96556364    -12.70327733
  H     12.06875291     12.40107004    -12.19172686
  H     16.64035880     12.45866272    -18.17499226
  O     17.27897166     12.09774935    -12.88581777
  H     10.55972439     12.45067300    -12.53285942
  H     12.64106715      8.23974275    -13.18291735
  O     14.43407752     10.47300257    -10.56607298
  H     16.54344066     11.47777492    -13.02402882
  H     13.90691428      7.57874214    -13.79626179
  O     17.51946886      7.98101425    -11.46747802
  H     16.86788681     12.96075612    -12.76747722
  H     14.46521945     10.76766544    -13.78348732
  O     16.37699558      8.98194435     -9.08545927
  H     14.74369849     10.42943932    -11.48425116
  H     15.30576608      9.49474577    -13.43569220
  O     19.00539076      5.98674443    -12.69642675
  H     15.07399697      9.99748717    -10.02674750
  H     12.08311595      8.73204181    -16.81125495
  O     13.10821407     11.46791085    -14.81690484
  H     18.05919856      8.76796336    -11.63367271
  H     12.81173549      8.56380667    -15.45550524
  O     17.44075731      8.53755483    -15.67878029
  H     17.06186032      8.14421457    -10.63478624
  H     18.92121606     10.43439134     -9.94844657
  O     19.02204761     10.31172835    -11.73476614
  H     16.17933232      8.58615421     -8.24040803
  H     19.18022640     11.14766110     -8.60938164
  O     15.39315153      9.71213676    -17.24731883
  H     17.17132672      9.53106625     -8.96175101
  H     20.32228929      8.90271026    -14.39278470
  O     19.81036316      7.14995517    -15.03693449
  H     18.50887213      6.63795747    -12.17671602
  H     19.83283213     10.34743041    -14.60983062
  O     16.50565832     12.17973918    -17.27324998
  H     18.68076234      5.13183151    -12.42353047
  H     14.20993083     12.85829506    -15.20148333
  O     12.97295007      7.76411641    -13.95841734
  H     12.39958663     11.61485614    -14.17651910
  H     15.49333897     13.16209899    -15.99358189
  O     15.18358201     10.43041286    -13.23399487
  H     12.87584269     10.70876721    -15.36601336
  H     15.66241187     15.27114468    -12.78977522
  O     12.77370671      9.10161918    -16.26842430
  H     18.23418879      7.99496389    -15.59617265
  H     15.33435581     14.08998223    -13.73423044
  O     18.66827042     10.45051992     -9.01044089
  H     17.71826120      9.45129545    -15.51763614
  H     13.84227687     12.21738049    -10.91124709
  O     20.40065304      9.80027013    -14.04974227
  H     19.63903814     10.11640149    -12.45428158
  H     14.19114272     13.45530391    -11.78063303
  O     14.91513069     13.51314498    -15.30719019
  H     18.43348182     11.01250992    -12.05172771
  H     17.97651234     11.60397644    -14.51181846
  O     15.57379557     14.32234788    -12.81754746
  H     14.51604071      9.45106652    -16.94369848
  H     17.79569619     11.61203350    -16.04858965
  O     13.46521108     12.99754774    -11.34142427
  H     16.03154212      9.14415359    -16.79687612
  H     12.85148129      9.60942076    -11.22791326
  O     18.29067648     11.19733914    -15.33146158
  H     20.43169098      6.58779394    -15.49244519
  H     11.71500562     10.14870711    -12.09763412
  O     12.12897364      9.32890743    -11.80365647
  H     19.56321447      6.68997916    -14.21650008
  H     16.32840409      7.92174728    -14.39177241
  O     15.75705713      7.74268011    -13.63115952
  H     16.04960101     11.31909244    -17.31183613
  H     16.32737122      7.73224118    -12.85155032
          69
 Energy    -248.77413456854964     
  O     11.82875643      9.44301756    -16.24347692
  H     11.53165048      9.10279838    -15.38922317
  H     21.20758556      8.00309481    -14.18573832
  O     16.49282442      6.24173844    -13.20819280
  H     12.29263831     10.26966747    -16.07391885
  H     16.40536072      8.53833900    -15.49696053
  O     17.11838284     10.61132946    -12.40323033
  H     15.69807141      6.28870405    -12.65857386
  H     15.93605587      7.53362019    -14.38912595
  O     14.11824879      5.33441980    -16.12984652
  H     17.16321122      6.80906442    -12.80207476
  H     11.54470965      7.36363104    -13.89967933
  O     14.10985245      9.56195036     -9.50207757
  H     16.26294683     10.66770858    -12.85145511
  H     10.14620250      7.97524485    -13.64297007
  O     14.22429340      6.61947059    -11.70877646
  H     16.95735493     10.79602845    -11.46933603
  H     17.85487855      7.97858920    -10.35903677
  O     14.70888987     10.50741621    -13.78260314
  H     15.06595877      5.17650087    -16.05460143
  H     17.25772292      9.05683015     -9.43999820
  O     17.53636498      9.28219512    -16.71195922
  H     14.01853035      6.11040837    -16.69513880
  H     13.06526794      5.67093077    -14.66909176
  O     15.07057240      6.88458699     -9.04957301
  H     14.30446027      8.65575493     -9.23385017
  H     13.11285818      5.96794453    -13.14355446
  O     18.91117254      6.92849836    -16.10166006
  H     13.61817195      9.49365718    -10.33203867
  H     18.28781102     10.75952970    -13.89293565
  O     16.93954689      4.91483236    -15.54240453
  H     14.46365270      6.57162300    -10.77489959
  H     19.42827416      9.89755969    -14.47081898
  O     20.27278006      8.17616169    -14.11747525
  H     13.84331487      7.49856003    -11.84549223
  H     19.05001742      8.06287356    -12.74597061
  O     15.65290031      8.25859389    -14.95704979
  H     15.01329628      9.67801232    -14.18771058
  H     17.85078888      8.93594979    -12.28563609
  O     11.05713532      8.20407999    -13.80754275
  H     14.36944699     11.05017439    -14.50256740
  H     15.60952152     10.44346481     -9.59728221
  O     17.44994578      8.11236342     -9.49171068
  H     16.88624433      9.76670804    -17.22930588
  H     16.55392011     11.53049357     -9.03024224
  O     12.53447845      5.96335951    -13.91496051
  H     17.96912869      9.89357509    -16.09355450
  H     14.76826901      9.40170399    -17.86630551
  O     18.80832303     10.60411353    -14.69162688
  H     15.10395556      6.34353288     -8.26562909
  H     15.18704959     10.32316411    -19.03581671
  O     18.27259651      8.07125474    -12.17374794
  H     15.96352030      7.25325165     -9.17664992
  H     13.58958309      9.70404043    -12.62092318
  O     16.50423157     10.82306003     -9.66734736
  H     18.45571817      7.68005524    -16.50628455
  H     12.26410851      8.90096223    -12.57864964
  O     15.19182698     10.25152160    -18.08436588
  H     18.26374441      6.21854055    -16.02323404
  H     14.26455656     11.27257849    -16.84041958
  O     13.03467718      9.15042870    -12.05356315
  H     17.16931223      3.99533445    -15.42729964
  H     13.56613051     12.58396382    -16.42300563
  O     13.73428029     11.68727129    -16.14224826
  H     16.80115051      5.28079372    -14.65103087
  H     13.12311196      8.39352425    -16.90401429
  O     13.97640193      7.99731069    -17.13942978
  H     19.83966791      7.67073783    -14.82906332
  H     14.50547565      7.98391706    -16.32613684
          69
 Energy    -248.77401567408711     
  O     16.43772628     12.66319242    -12.08453054
  H     16.65553519     11.98295728    -11.42914919
  H     13.64718043      7.21286768    -14.95061477
  O     15.01561070      8.50922294     -7.40201606
  H     17.09911194     13.34332975    -11.98363969
  H     12.21787546     10.98913825    -10.26947978
  O     17.02415555      6.49130392    -11.71515313
  H     15.02869195      9.45241289     -7.59957502
  H     11.76170739     10.13236177     -9.06864897
  O     13.90629673      4.58836631    -11.87131879
  H     14.37273856      8.13095719     -8.01817653
  H     16.36720832     10.14470639    -15.47209614
  O     18.15146153      8.21840021     -9.69713530
  H     16.76445516      5.99053613    -12.49887304
  H     15.88010573      9.56772494    -14.12416791
  O     16.98534535      6.68398798     -7.58852328
  H     16.44783535      6.18682013    -10.99910665
  H     15.95409142      5.76761936     -8.90982172
  O     16.80977276     10.55715643    -10.29983271
  H     14.39352326      4.76998765    -11.05819570
  H     14.57729305      6.15534366     -9.48821737
  O     14.84347833     11.16027788     -8.37689913
  H     14.53200805      4.72457083    -12.59300905
  H     12.85785322     11.28227970    -12.64064851
  O      9.98374387      7.51556491    -11.13080756
  H     17.86883029      7.72530205     -8.91685597
  H     12.72439583      9.91290175    -11.93263594
  O     13.58065687      8.33058985    -11.85746390
  H     18.01036855      7.61678163    -10.43800313
  H     11.74007703      6.52607858    -13.54312774
  O     11.31545841      5.24810489    -12.28160358
  H     16.30486916      7.36476830     -7.43003980
  H     11.40436881      7.99249859    -13.94037703
  O     14.57208159      7.17075753    -15.23033137
  H     17.30540617      6.40883807     -6.73412870
  H      9.62577046      9.88868940    -13.78696868
  O     12.31996188     10.87903648     -9.31482420
  H     16.13711306     10.72863238     -9.62849473
  H     10.89923856      9.94499255    -12.90987226
  O     15.59014380      9.82769752    -15.01700925
  H     17.35200815      9.81256555     -9.99858968
  H     10.10699180      8.38156928     -8.09299198
  O     15.35084988      5.59101378     -9.64181036
  H     14.87387914     11.98422818     -7.89754844
  H     10.42732331      8.16766328     -9.59243950
  O     12.25234138     10.74009384    -12.11289177
  H     13.93484947     11.07200140     -8.71616063
  H     16.17285220      4.55838620    -14.53907369
  O     12.06830830      7.29672369    -14.02607263
  H     10.42575727      6.71755877    -11.44597290
  H     15.40883247      5.89716769    -14.41311355
  O     10.25126863      9.34363111    -13.31739734
  H      9.96501635      8.13098504    -11.87367964
  H     14.55817615     11.28737067    -14.20578478
  O     10.78156637      8.51364913     -8.75339247
  H     13.15788949      7.89538036    -12.60721039
  H     14.93877204     12.27306422    -13.08621494
  O     15.83760836      5.18584243    -13.90422287
  H     14.48677457      8.54812845    -12.11347814
  H     13.38947425      7.73868373    -10.19541935
  O     14.18929468     11.93976613    -13.60011566
  H     10.83681361      4.43291330    -12.40859873
  H     12.41271166      7.65790818     -8.99852911
  O     13.28683090      7.38450572     -9.29864012
  H     12.23432506      4.99921800    -12.07545333
  H     16.39276189      9.59085353    -11.76763079
  O     16.18933605      8.99143271    -12.49811748
  H     14.88176947      8.08240224    -15.28487694
  H     16.54613187      8.12147911    -12.27106594
          69
 Energy    -248.77369897060311     
  O      4.24696481     -5.23287905     -0.88509174
  H      3.78483790     -4.51885837     -0.40552252
  H      2.93064107     -6.84584148      2.74849368
  O     -2.53633023     -4.78930924     -1.60328049
  H      5.09865795     -4.88909173     -1.13877837
  H      1.69177674     -9.59564465     -2.89634827
  O      0.68512826     -6.29552498      0.14440891
  H     -1.66045387     -4.67201016     -2.01151869
  H      1.99757922     -9.25237318     -1.41736368
  O     -0.06451524     -4.28810449     -2.64485984
  H     -3.17525249     -4.69520510     -2.30591236
  H     -2.64070931     -5.00679175      5.80069517
  O      2.36197140     -6.15788121      6.28534407
  H      0.09728333     -7.05118411      0.02157320
  H     -1.99023544     -5.62817747      4.54756336
  O     -2.80369411     -6.89480460      0.31687782
  H      1.02795010     -6.06677242     -0.72924188
  H     -1.24853337     -3.15655190      0.79881804
  O     -0.71823683     -8.65703169     -0.46232054
  H      0.66300903     -4.91777067     -2.72855136
  H     -2.11352735     -3.27620039     -0.46436401
  O      2.06461391     -3.85805859      3.17119266
  H      0.29728489     -3.51937742     -2.18671829
  H      0.71156698     -7.13637709      6.39443614
  O      2.62787986     -9.66772022      0.15270759
  H      3.20036130     -6.23182017      6.73392435
  H     -0.76381064     -6.81158865      6.08848813
  O      3.23329485     -7.06678496      0.97453149
  H      2.52922999     -6.34786335      5.34670009
  H      0.48007095     -4.04991895      2.31323203
  O      0.71572889     -3.90206022      5.57444112
  H     -2.24195290     -7.59678192     -0.03410129
  H      0.04492102     -4.97053518      1.14609277
  O      2.46509016     -6.64597214      3.57114020
  H     -2.75110081     -6.17161270     -0.32141573
  H      1.93327764     -7.09964143     -2.38647107
  O      1.54530697     -8.93820688     -2.22116508
  H     -0.08783028     -8.80012186     -1.17875171
  H      2.84399547     -5.89229182     -1.97019178
  O     -1.81447418     -5.33978053      5.45847493
  H     -0.44581723     -9.23122996      0.26634457
  H     -2.43590711     -6.46307407      2.02724472
  O     -1.64210585     -2.63609552      0.08194385
  H      2.28797569     -4.79597595      3.24190279
  H     -1.42225982     -5.41708707      2.53349972
  O     -0.13634528     -7.54207261      6.17371192
  H      1.63062085     -3.64440694      4.01085050
  H     -0.70905992     -7.39138439      3.17867297
  O     -0.28123416     -4.31900523      1.78606468
  H      1.92178991     -9.91505660      0.76253158
  H     -0.05578793     -7.99792197      4.44981003
  O      1.98908297     -6.13595578     -2.34803554
  H      2.99148855     -8.83761790      0.49135898
  H     -0.09469962     -2.19053794     -0.60529623
  O     -1.99371354     -6.14426284      2.82672643
  H      3.77955755     -6.51399811      0.40359636
  H      0.84970955     -1.18101454     -1.29581422
  O     -0.00777363     -7.98391052      3.48182359
  H      2.31661923     -6.82091718      0.77181729
  H      2.14908846     -2.90050517      0.01799797
  O      0.78474650     -2.08908572     -1.01085272
  H     -0.16865639     -4.28496218      5.53664664
  H      2.65107729     -3.40458940      1.40112544
  O      2.87167043     -3.36093164      0.46287917
  H      1.27446130     -4.58156354      5.97266712
  H      0.21104859     -9.35927159      2.41826721
  O      0.30112782    -10.07242112      1.76299779
  H      1.60384356     -7.08301155      3.50838094
  H     -0.01454745    -10.86927569      2.18187796
          69
 Energy    -248.77320542331165     
  O     11.88036763      4.77163832    -13.64632251
  H     11.24745032      4.32016006    -14.19835048
  H     19.71805787      9.73009144    -13.31808490
  O     16.85141488      6.78647665    -12.23965238
  H     12.43021528      5.31563940    -14.23544283
  H     14.31610097      9.66628189    -15.70654872
  O     17.16421771     11.11085309    -11.49441408
  H     17.70293521      6.87765384    -11.79827021
  H     15.73315743     10.03366921    -16.21719368
  O     17.44921606     10.20077031    -15.42731637
  H     16.59812856      7.66625353    -12.55652916
  H     16.54037191      9.49971326    -13.98623758
  O     14.23624703      3.76650981    -12.28314730
  H     16.50786334     11.71305526    -11.11459665
  H     15.12735781      9.18132906    -13.42369294
  O     13.65096714     10.28122554    -10.11246203
  H     16.68136644     10.45117120    -12.01573510
  H     11.85751241      5.97269309    -12.19737382
  O     14.65308674      6.11414088    -10.65361897
  H     17.98029849     10.78988125    -14.87656000
  H     12.94052112      6.45116596    -11.20318739
  O     17.09420597      6.21870458    -16.31933964
  H     18.02509031      9.46747916    -15.68497004
  H     17.47738240      9.85770941    -10.13102467
  O     15.09251453      8.17552217     -8.79531390
  H     14.34779053      4.41775934    -11.57797105
  H     18.19365308      8.50375484     -9.96670594
  O     19.08755425      7.97356837    -15.88786756
  H     13.36716779      3.93981396    -12.66401697
  H     19.47692303     12.32719406    -13.36053271
  O     15.90818799      5.01962494    -14.09110651
  H     12.99693976      9.93341307    -10.72898856
  H     18.39045678     11.44960925    -12.69473170
  O     19.92308787      8.78816755    -13.28234238
  H     14.06773184      9.52533858     -9.68258212
  H     19.58876959      7.90880695    -11.83019995
  O     14.85828321      9.74170292    -16.50357683
  H     14.73414940      6.72373310     -9.90924762
  H     20.05933862      6.88533591    -10.76810137
  O     16.06366189      9.23220642    -13.18965558
  H     15.41458387      6.30801224    -11.21792301
  H     14.79602420     13.21514930     -9.80793806
  O     12.04880913      6.63944437    -11.52789436
  H     16.32310273      6.52833317    -16.80865709
  H     14.54793448     11.77112552    -10.28066124
  O     17.53472366      9.07955332     -9.56142545
  H     16.75549041      5.66662454    -15.60167438
  H     13.88083593      6.57030276    -15.97439375
  O     19.01017649     11.50022195    -13.44427087
  H     15.06422587      8.17115228     -7.84186931
  H     14.44340600      5.89337603    -14.70045058
  O     19.30992834      7.40588796    -11.04365680
  H     15.98138209      8.48609712     -9.04549773
  H     11.78637868      8.29968455    -11.77381542
  O     15.12847454     12.54434439    -10.39710631
  H     18.39243061      7.30454268    -16.02164474
  H     10.82423452      9.51078700    -11.88592434
  O     13.65524167      6.31945936    -15.07003448
  H     19.74486831      7.81911053    -16.56147617
  H     13.45360154      8.04425766    -14.36306282
  O     11.73835342      9.25420323    -11.97005396
  H     16.34710188      5.62582187    -13.47491032
  H     12.83657650      9.14634150    -13.44471453
  O     13.49262690      8.98275759    -14.13320262
  H     15.41092129      4.39856005    -13.54090531
  H     14.42726493      7.25125314    -18.42590777
  O     14.69531726      7.24131173    -17.51141442
  H     19.67664913      8.42605376    -14.14239100
  H     14.76444855      8.17092660    -17.22688192
          69
 Ord_Energy   -248.773010    
 O   -1.60653412       4.08101511       4.14399195    
 H  -0.660597086       3.97749543       4.20668554    
 H   -1.87241101       4.66825390       4.87407541    
 O   -4.62174129       2.53102469       1.86518800    
 H   -4.14733171       3.37620282       1.88772559    
 H   -5.19192934       2.56038761       1.08770359    
 O   -6.54659557       3.11211991     -0.163161606    
 H   -7.22723341       3.54271173      0.379523367    
 H   -7.00432348       2.66345763     -0.869955420    
 O   -9.22350597       4.53100729       6.13596725    
 H   -8.68302727       3.72581935       6.12925625    
 H   -9.27007389       4.81740475       7.05880451    
 O   -5.80960655       7.91941071       7.25228167    
 H   -6.56637383       7.70265388       6.68820953    
 H   -5.86509848       7.31177950       7.99729395    
 O   -3.56262684       8.24226093       5.76687574    
 H   -4.36187553       8.16920376       6.31902361    
 H   -3.19130611       9.10379314       5.93643475    
 O   -8.89733505       7.59466934       3.19941902    
 H   -9.43752480       6.79547453       3.19469738    
 H   -8.19867039       7.46012735       2.54493046    
 O   -6.83389330       2.97144318       3.47245097    
 H   -7.38433218       3.45256567       2.84240484    
 H   -6.03230238       2.72211361       2.99495721    
 O   -7.61462927       2.29617548       6.01547956    
 H   -6.77809000       2.03254986       6.41178465    
 H   -7.42074585       2.37058020       5.06891203    
 O   -3.24541593       4.96014261       2.00940061    
 H   -3.66487622       5.71534061       2.44675636    
 H   -2.56515861       4.65911341       2.62495208    
 O   -8.89743328       5.57246256       8.67175102    
 H   -7.94803572       5.61574078       8.85743427    
 H   -9.26846886       6.37464333       9.03397274    
 O   -3.49312520       1.95180035       4.40937233    
 H   -3.85235620       1.92705023       3.51455307    
 H   -2.80452538       2.62811661       4.38763475    
 O   -4.86253262       1.62279510       6.74130774    
 H   -4.38907146       1.70009553       5.89338636    
 H   -4.61772919      0.778854132       7.11137152    
 O   -8.20567036       4.49044466       1.60258746    
 H   -8.97361946       4.61471796       2.17417359    
 H   -7.68880510       5.31071663       1.63376629    
 O   -4.55483770       6.93372059       3.46667910    
 H   -4.15732145       7.53707647       4.10323143    
 H   -4.94850302       6.22314358       3.99933839    
 O   -5.85008097       5.10096455       4.98159504    
 H   -6.21383858       4.34557295       4.50371122    
 H   -6.56774139       5.71970940       5.17869806    
 O   -6.66014862       6.80374861       1.62340999    
 H   -6.15438271       6.51696062      0.849171877    
 H   -5.99547672       6.98650265       2.30127168    
 O   -7.82275343       6.92341471       5.62828398    
 H   -8.37805462       6.17810583       5.89085245    
 H   -8.19295025       7.29474735       4.81463432    
 O   -6.10652304       5.77385330       9.15368462    
 H   -5.58724499       5.21744108       8.54769707    
 H   -5.68367243       5.71404076       10.0069027    
 O   -4.68135262       4.33663368       7.32666206    
 H   -4.67814255       3.37247777       7.28307247    
 H   -5.09033871       4.63708019       6.49852371    
 O   -2.43318677       5.64561605       6.19427204    
 H   -2.74133277       6.55093384       6.06680775    
 H   -3.11776686       5.19542694       6.70549107    
 O   -10.1687565       4.98830700       3.56063294    
 H   -11.1109142       4.83565331       3.54648662    
 H   -9.87600422       4.79555416       4.46672153    
 O   -4.99955225       5.56126547     -0.214410767    
 H   -4.25914001       5.36976147      0.375394493    
 H   -5.43823242       4.71638107     -0.368795276    
          69
 Ord_Energy   -248.772827    
 O    6.42667150       3.16437387       3.32066178    
 H    7.05714893       2.45697093       3.14168215    
 H    6.86213112       3.99073172       3.06123567    
 O    6.92483759       5.08422518     -0.226452142    
 H    6.34201908       4.49187708     -0.725739181    
 H    6.97443438       5.90917063     -0.727565885    
 O   0.962320447       5.07349730       2.55534816    
 H    1.41212416       4.42514181       3.11015558    
 H    1.24185431       5.94631052       2.85598803    
 O    5.17909241       3.45383358      -1.65351164    
 H    4.39534950       3.37147665      -1.09004724    
 H    5.57078409       2.57555771      -1.72406697    
 O    4.54330826       6.04789543      -2.64654231    
 H    4.70689964       5.10930300      -2.49752760    
 H    3.63818550       6.22299814      -2.34979486    
 O   0.581215382       4.54752493      -7.13137314E-02
 H   0.653121829       4.76433706      0.876285791    
 H  -0.321880788       4.28554392     -0.226842895    
 O    3.06579900       7.91165400      0.705584347    
 H    2.55609798       7.99368620       1.51974523    
 H    3.53498077       7.06565952      0.781582057    
 O    2.05088162       6.55757809      -1.54634285    
 H    1.48945963       5.89496374      -1.12871647    
 H    2.27700639       7.18404579     -0.846107304    
 O    6.56135225       1.01288843      -1.49362540    
 H    7.28189087       1.51494527      -1.07060516    
 H    6.95963144      0.479199529      -2.17638397    
 O    7.65167189       5.44139576       2.44815254    
 H    7.56207991       5.38105822       1.48841929    
 H    7.46689034       6.35830975       2.68375969    
 O    6.80451202       8.08074284       3.05644870    
 H    7.32044840       8.80068207       3.40855789    
 H    6.45546961       8.37581444       2.19542408    
 O    6.62291670       7.44013882      -1.69535303    
 H    7.10961294       7.83391953      -2.41408038    
 H    5.84032249       7.00830746      -2.08810449    
 O    4.11612654       1.98124552       2.27119160    
 H    3.76430941       2.43046403       1.48823881    
 H    4.90340996       2.46194005       2.56961536    
 O    2.32072282       3.04399252       4.07806873    
 H    2.90275407       2.57881451       3.45426607    
 H    1.83630776       2.37091637       4.55098200    
 O    4.46560764       5.56186485       1.27975130    
 H    5.35752106       5.49548674      0.922849000    
 H    4.53182650       5.85424471       2.19790149    
 O    8.37028408       2.52787304     -0.142255649    
 H    8.39871311       2.18048024      0.758726120    
 H    8.07669449       3.44294858      -8.32075477E-02
 O    5.75315094       8.76177406      0.665215731    
 H    6.07965136       8.40040684     -0.167740241    
 H    4.79287624       8.65534401      0.644631028    
 O    5.90594959       7.94324875E-02   1.14972425    
 H    5.17209339      0.596468925       1.50753021    
 H    5.97889280      0.308515638      0.215047881    
 O    3.13081264       3.45991659      0.174694374    
 H    3.52822614       4.24292755      0.591076493    
 H    2.21307731       3.68809652      -1.24449497E-02
 O    1.96359694       7.63408041       3.31746817    
 H    2.85940981       7.36082220       3.58443069    
 H    1.64321065       8.22807217       3.99106216    
 O    4.65472364       4.36141253       5.12979174    
 H    5.33541918       3.87397718       4.64441776    
 H    3.81834173       3.92932820       4.91841364    
 O    4.47230053       6.73925734       3.84513593    
 H    4.60583258       5.96130323       4.40832806    
 H    5.30478954       7.21478844       3.74049306    
 O    8.10217381       1.13524747       2.34889030    
 H    7.35259724      0.653287470       1.95444560    
 H    8.67682838      0.484142840       2.74181962    
          69
 Energy    -248.77281143912148     
  O     -3.06557930      2.81361382      4.00718897
  H     -4.02962386      2.75031567      4.00525030
  H     -4.27298151     -4.22182630      1.53222187
  O      0.19580864      4.78159549      2.35273115
  H     -2.80415996      3.07999962      3.11305256
  H     -6.22145920      3.73957574      2.36544080
  O     -0.30781602     -0.49654867      2.49521863
  H      0.68636837      5.59358927      2.26205377
  H     -6.89311620      3.76534039      0.98481940
  O     -4.31117032     -0.11704873     -1.93502299
  H      0.78165187      4.06102330      2.05644396
  H      1.68286388      2.03670210      2.41652240
  O     -1.70730537     -0.49162058     -1.37004995
  H     -0.40715226      0.13882854      1.76919002
  H      0.93088872      2.12022377      1.07290363
  O     -4.55794625      0.89428252      1.38582309
  H      0.32659308     -0.10352775      3.10643609
  H     -2.78666024      4.11586150      1.00466850
  O     -5.76609714      2.29179664      3.44318739
  H     -4.48622560      0.81884405     -1.76628911
  H     -1.38900730      4.08280022      1.70967099
  O     -7.94828584      0.19773274      1.17112216
  H     -4.89188534     -0.61202818     -1.34162537
  H     -4.95392528      4.82466769      0.74212483
  O     -2.84347730      0.09755218      3.43783449
  H     -1.25088230     -0.77397874     -2.15857852
  H     -4.24393042      5.88461186     -0.13646743
  O     -4.78752637      2.46716412     -0.96371479
  H     -2.64238579     -0.37587954     -1.61451211
  H     -4.27575329     -1.01096553      3.76455794
  O     -5.77886490     -1.27548501      0.19162698
  H     -4.31050228      1.44456094      0.63503278
  H     -4.90051294     -2.23648914      3.08359186
  O     -4.33901293     -3.27141119      1.56627784
  H     -3.78358297      0.62295752      1.89574710
  H     -0.15490845      3.83254054      4.01863416
  O     -6.36531822      4.30067479      1.59156805
  H     -5.38495568      1.83559541      2.67523218
  H     -1.31567840      3.04593333      4.64935033
  O      1.58610849      2.57476886      1.62077278
  H     -6.37813206      1.65087697      3.82164408
  H      1.96032076      0.96961797      4.81453326
  O     -2.14824617      3.54259271      1.44814317
  H     -7.35073545     -0.45206081      0.77547980
  H      0.73559023      1.80738009      4.37805930
  O     -4.16318792      4.99571437      0.19748715
  H     -7.81545299      0.13434215      2.12442303
  H     -7.84265134     -0.37132807      4.66015805
  O     -5.06739801     -1.56742418      3.75702791
  H     -2.82654242      0.99824378      3.78595906
  H     -6.51503786     -0.61172314      3.90627010
  O     -0.35548359      3.15172888      4.67215337
  H     -1.94033528     -0.15119761      3.20718392
  H     -1.85173616     -1.70949221      0.09393234
  O      1.35720383      1.11475094      4.09062588
  H     -4.49150924      3.35901797     -0.75233151
  H     -1.29229807     -1.82050231      1.52293293
  O     -7.29152918     -0.02531155      3.96360855
  H     -5.73681946      2.44582521     -0.77101093
  H     -1.29381555      2.06302527      0.70668168
  O     -1.91686543     -2.22367365      0.90768999
  H     -5.37631569     -0.53273911      0.67160986
  H     -1.06409188      0.82672205     -0.24017388
  O     -0.67658993      1.35935953      0.46556371
  H     -5.39509451     -2.07175418      0.57727257
  H     -7.70087608      1.66986151      0.28786794
  O     -7.52285921      2.46872966     -0.23981408
  H     -3.45543935     -2.92364968      1.34925361
  H     -8.26318531      2.57164899     -0.83194949
          69
 Energy    -248.77280788570329     
  O     -2.60019843      1.76687605      3.89583146
  H     -3.10531961      1.29514135      4.55238922
  H     -1.77161174      6.22168282     -1.01574737
  O     -4.18125825      1.55268879     -2.49482512
  H     -1.66452754      1.54069112      4.04460341
  H     -2.75900530      4.37376519     -1.68661548
  O     -2.38656835      2.92282270     -4.29924071
  H     -4.13903729      2.21297815     -1.78427629
  H     -2.25467308      4.30907309     -3.14416052
  O     -3.91338074      5.58922657      1.25925136
  H     -5.10694745      1.37384990     -2.64348509
  H      2.85289555      3.34818451      4.54310579
  O     -0.51311175      0.08936359     -0.21601695
  H     -1.64791109      2.31677628     -4.42873570
  H      2.27265845      2.88366311      3.18682999
  O      1.04291831      1.61156777     -2.04757293
  H     -3.05433776      2.41804154     -3.81775299
  H     -0.13158156      4.13244825      1.71060403
  O      0.88046450      6.63737591      1.13756519
  H     -3.48315709      5.24015171      2.06103896
  H     -0.00184188      3.88863859      0.16659563
  O      0.02541813      1.15269796      4.13516204
  H     -4.58190459      6.20296800      1.55182837
  H     -3.98337677      4.16244161      0.08359492
  O     -2.01590616     -0.33092785     -2.57966207
  H     -1.19205503      0.62049994      0.22614489
  H     -3.28955605      2.78196712      0.07957781
  O      2.24902197      2.16514839      1.54453581
  H      0.06677771     -0.22911126      0.48472187
  H     -1.71123143      4.86746309      3.47073044
  O      1.25432393     -0.33914468      1.98068129
  H      0.55468981      1.08851400     -1.39739926
  H     -2.66823298      3.66466017      3.65389734
  O     -1.60263516      6.61177360     -0.15028040
  H      0.69635070      1.36640232     -2.91531395
  H     -2.49650541      1.67465543      2.04160668
  O     -2.20485403      4.83363044     -2.33135223
  H      1.55381683      6.35173117      0.51260402
  H     -1.49322064      2.40263147      1.10908175
  O      2.03611473      3.22667264      4.06524600
  H      0.04966272      6.71742189      0.64317200
  H      0.44957986      5.79406509      2.61646397
  O     -0.12439174      3.45648618      1.02133173
  H      0.38284642      0.54841294      3.47373913
  H      0.79238905      4.63811715      3.62629215
  O     -3.79792409      3.39489686     -0.47270288
  H      0.68084738      1.85115673      4.24830905
  H      1.79966041      5.16209576     -1.26763103
  O     -2.63915200      4.59766744      3.41504113
  H     -2.79509420      0.22788232     -2.46742324
  H      2.92446260      6.16647895     -1.60775618
  O     -2.24061394      1.78022117      1.11788973
  H     -1.54626690     -0.33095202     -1.73505298
  H      0.55444184      3.32539194     -1.84054276
  O      0.07449128      5.15734182      3.24802302
  H      1.39314504      2.57789043      1.34932615
  H     -0.51583628      4.46909292     -1.93551707
  O      2.63517904      5.54468250     -0.94354775
  H      2.81281765      2.32952056      0.77609696
  H     -0.16584344      0.31055297     -5.11700416
  O      0.36646442      4.24624553     -1.61225397
  H      1.71397245      0.49933759      1.79911772
  H     -0.96178988      0.34920749     -3.78848897
  O     -0.35879585      0.85861552     -4.36105277
  H      1.92837200     -1.00619613      2.08704939
  H      2.72189653      2.33291412     -1.37623798
  O      3.41207248      2.74401542     -0.83839432
  H     -2.36494450      6.36379833      0.38596374
  H      3.28848865      3.69918489     -0.90802380
          69
 Energy    -248.77251968006226     
  O     11.40260803      6.56059789    -15.32276802
  H     11.05690458      7.41724412    -15.04512701
  H     16.97886932      5.99498626    -15.98996720
  O     16.92531747      7.38024511    -13.19494358
  H     11.48294096      6.01347296    -14.53175484
  H     13.18012363     10.90157704    -15.63190847
  O     14.31304538     10.72917356    -11.78921433
  H     17.04517186      8.23016247    -12.75320962
  H     13.01599601     10.02459875    -16.87460719
  O     14.69281742     11.03339217    -14.53338849
  H     16.50270624      6.78310088    -12.56171440
  H     14.28960791      7.69637740    -15.10118703
  O     15.55561182      4.71203661    -16.11157944
  H     14.39855746     11.11212975    -12.67223494
  H     15.36955416      7.89611128    -14.00179444
  O     13.99307816      7.33645855     -8.63242135
  H     13.61180681     10.06817723    -11.88529109
  H     11.36803975      3.97802798    -13.03874559
  O     15.54759278      5.78525614    -11.42122735
  H     14.63548270     10.06376270    -14.53823692
  H     12.79085096      4.52122834    -13.30889507
  O     12.51555626      8.77508330    -12.56531601
  H     15.62493294     11.23546770    -14.67053603
  H     18.20472302      9.24159942     -8.74333994
  O     16.73697244      9.23822332    -16.78671215
  H     14.90436593      5.39636854    -16.34888347
  H     17.24339362      8.12619625     -9.20540096
  O     16.52151558      6.48860342     -8.82878033
  H     15.53606538      4.06086636    -16.80859699
  H     14.93281016      4.33387557    -14.37069292
  O     17.51442740     10.97671307    -14.54260582
  H     14.10292532      8.29323421     -8.74041043
  H     15.00748649      4.60964293    -12.84246574
  O     17.53676160      6.76739649    -15.84397078
  H     13.45127095      7.02898347     -9.36990539
  H     17.30748030      9.66316683    -11.11730159
  O     12.51221377     10.47815122    -16.18796327
  H     15.97144762      5.88982293    -10.56252098
  H     16.07090978     10.16127842    -11.90552059
  O     14.52278437      8.22377267    -14.32877269
  H     14.62683877      6.06355334    -11.30591191
  H     15.70706591      9.81525219     -9.10461488
  O     11.87394321      4.78382611    -13.10701706
  H     13.22199890      8.50571490    -13.17620236
  H     14.54972062     10.38798457     -9.93826405
  O     17.52528121      9.03770761     -9.38213652
  H     11.75825784      8.99214384    -13.12106367
  H     14.40512120      9.29036250    -18.87941457
  O     14.47813306      4.19060809    -13.53179703
  H     17.06110177      9.83193092    -16.10339605
  H     15.17587716      9.19687333    -17.54237751
  O     17.00055229      9.90707419    -11.99948956
  H     17.05955563      8.35595239    -16.54552790
  H     12.41778785      5.84544343    -11.64475891
  O     14.75738066      9.97662916     -9.08949384
  H     16.73352612      5.83803795     -8.16502995
  H     12.67730599      7.35459105    -11.51007879
  O     14.29516417      9.10401629    -17.95082465
  H     15.59436181      6.75739893     -8.67809357
  H     11.28813999      9.69887774    -15.21615103
  O     12.85139502      6.50125013    -11.08571676
  H     17.45443258     10.61845859    -13.64275544
  H      9.82157611      9.66457364    -14.72609868
  O     10.66827579      9.23938215    -14.62118159
  H     18.27388060     11.55454634    -14.55360635
  H     12.88135216      6.64162635    -16.25700062
  O     13.78699755      6.70686649    -16.60001725
  H     17.48559154      6.94084746    -14.89332902
  H     13.85947349      7.47699624    -17.17670307
          69
 Energy    -248.77243761035476     
  O      0.88881465     -0.73453931      5.48483696
  H      0.05030278     -1.23130883      5.48308765
  H     -3.04619553      2.77246756      0.49504144
  O      2.22851786      0.11293208     -2.32644081
  H      1.28425149     -0.87042641      6.34224852
  H     -2.71022419     -0.08190702      3.67246755
  O     -1.52888364     -1.96796067      5.42285634
  H      1.34491253      0.35531935     -2.02063576
  H     -3.76294720      0.87033916      4.28872713
  O     -0.21112533      0.51802838     -0.89347585
  H      2.28645871     -0.84418680     -2.21191410
  H      0.20317506      2.15723193      2.03614426
  O      2.32098960     -2.62749966     -1.47152699
  H     -1.69808926     -2.74515770      4.87706726
  H     -0.61192183      2.23757787      3.37214688
  O      3.59490015     -1.58866657      0.68827122
  H     -2.24574324     -1.34426564      5.24904127
  H     -2.69411128      2.23497678     -2.00104033
  O     -4.56280560      2.27451709      3.57223484
  H      0.33687354      0.78254174     -0.14111019
  H     -1.76061296      1.39477622     -1.10127430
  O     -3.75315351     -3.66879852      1.81461585
  H     -0.33435922     -0.43849443     -0.82602932
  H     -1.43523734      0.73164042      2.13792080
  O     -0.75487026      1.57584747      5.02530991
  H      2.82254211     -3.35636796     -1.82678689
  H     -2.53875697     -0.15826389      1.46708159
  O      3.86049123      1.07280809     -0.36118746
  H      2.79059696     -2.32685457     -0.67221699
  H      0.53055777     -2.50435861     -1.03751395
  O     -5.06171757     -1.37504432      2.62255225
  H      3.12419048     -1.47971818      1.52494117
  H     -0.30445997     -2.42464583      0.27256820
  O     -3.10727619      3.11391662      1.39224451
  H      3.85305823     -0.70082059      0.41082711
  H      1.15349922     -1.61288192      2.54949428
  O     -3.23571727      0.07660948      4.47269753
  H     -5.29302996      2.86853712      3.72262889
  H      1.68486737     -0.87944618      3.79277965
  O     -0.65197598      2.39426920      2.41592477
  H     -4.11045262      2.60077917      2.77657677
  H      2.36461383      1.30908452      0.74605100
  O     -2.64885031      1.78470372     -1.16134698
  H     -3.53880734     -3.46453023      0.89933514
  H      1.64739498      0.45511007      1.82482162
  O     -1.81249976     -0.15686926      2.10485734
  H     -4.29860598     -2.93443456      2.13662792
  H     -2.57260466     -4.03630989      2.99350667
  O     -0.34569089     -2.29948291     -0.68915785
  H     -1.62857286      1.17048525      5.06259450
  H     -1.84741505     -5.07957970      3.87858560
  O      1.86645875     -1.03325180      2.85786829
  H     -0.12848114      0.87046941      5.22825716
  H     -0.75060966     -3.11253505      2.57071165
  O      1.52973780      1.19844078      1.21571298
  H      4.55523520      1.64870834     -0.66779995
  H     -0.88311246     -1.62863435      2.11192864
  O     -1.83752351     -4.16183849      3.62218154
  H      3.35142869      0.79831167     -1.14462883
  H     -2.08467321     -2.64509671     -0.89532935
  O     -0.33956342     -2.43048380      2.02743364
  H     -4.65533243     -0.90791981      3.35908563
  H     -3.29397737     -3.23392127     -1.65826958
  O     -3.04992053     -2.75134049     -0.87212851
  H     -4.86059128     -0.85235942      1.83478962
  H     -3.61884516      0.43384574     -0.32113299
  O     -3.88883175     -0.29935191      0.24597263
  H     -2.21355931      3.02976571      1.75817080
  H     -3.68340371     -1.11898591     -0.22358388
          69
 Energy    -248.77220909370547     
  O     15.79426836      9.73598669    -16.44365326
  H     16.51939793      9.49551135    -15.85063288
  H     16.26947816     10.92229577    -17.65396385
  O     14.30164254     12.74386750    -14.70543330
  H     15.01544835      9.80681524    -15.88039022
  H     18.41607360      9.98108142    -11.67982656
  O     20.21108374      9.97919659    -11.93454928
  H     15.25952154     12.59566445    -14.65673941
  H     17.41105239     11.15168616    -11.69991833
  O     20.43232772     12.75166618    -12.35447038
  H     13.90274817     11.87189928    -14.60977465
  H     18.67050819     16.38859181    -12.55257749
  O     14.89519979      9.26710549    -12.16211490
  H     20.45810033      9.72454063    -12.83077739
  H     19.78279750     17.02356712    -13.40904761
  O     17.82317460      9.56959247    -14.52919908
  H     20.39680682     10.92830944    -11.89599757
  H     19.94075311     12.70416709    -15.76731275
  O     14.65371695     13.61351516    -17.40462217
  H     20.92751554     13.53855770    -12.09438928
  H     21.21191931     13.33991500    -15.12784176
  O     17.97123510     15.65233028    -15.81586815
  H     20.48342089     12.69075487    -13.31821838
  H     15.08627769     15.29349589    -16.84879431
  O     21.69490612     15.18962817    -11.88639888
  H     14.64811153      8.70786000    -11.42924926
  H     14.90441023     16.00632931    -15.49628069
  O     18.37521424     13.03610080    -16.65621302
  H     15.79497482      9.57103264    -11.96513607
  H     19.36825798     16.64586705    -15.53155518
  O     13.66286221     10.01043401    -14.49928309
  H     18.77544787      9.57292763    -14.69153006
  H     20.22617034     17.89768566    -15.83063012
  O     16.55570602     11.61528904    -18.27504130
  H     17.70005362      9.62835235    -13.57266916
  H     17.44366479     15.45652792    -14.02628094
  O     17.47420705     10.18965727    -11.77254423
  H     14.40988619     13.25732347    -16.54058388
  H     16.14300178     15.49710445    -13.19848016
  O     19.56673842     16.74386667    -12.50950369
  H     15.27456182     12.98027220    -17.78152514
  H     21.40953142     15.69946176    -15.02413067
  O     20.68195074     12.52964512    -15.17192012
  H     17.07102121     15.90016037    -16.07835083
  H     22.03356253     15.02631368    -13.79505575
  O     15.34925420     16.08090720    -16.34727986
  H     18.16412741     14.79621454    -16.21815026
  H     20.72275412     10.75914837    -14.97216854
  O     20.16926439     17.13165672    -15.26583014
  H     22.22802857     15.59152715    -11.20644441
  H     21.28061316      9.36307017    -15.32661249
  O     17.10364568     15.44608006    -13.12017932
  H     20.92534487     15.77143148    -12.02448225
  H     17.25171923     12.52161667    -13.60055840
  O     21.92619600     14.93155351    -14.74927451
  H     17.89942925     12.60848829    -17.37726631
  H     17.22627803     11.29833801    -14.56509837
  O     20.61402705      9.80695156    -14.80853201
  H     17.86297809     12.82144030    -15.85859701
  H     13.51926171     15.56069348    -13.29627709
  O     16.98240371     12.22956848    -14.48095464
  H     12.85498394      9.50816018    -14.57115563
  H     14.23428311     14.40159925    -14.02627183
  O     14.33962999     15.31745478    -13.71773459
  H     14.08959902      9.73653108    -13.66933809
  H     17.47369870     13.90314211    -12.18863065
  O     17.71920729     13.00177809    -11.93868692
  H     16.51059444     11.23370054    -19.14786757
  H     18.68581325     12.95171636    -11.99251528
          69
 Energy    -248.77218073325338     
  O     -3.75677397      2.22934990     -3.58244794
  H     -4.10127212      1.40160593     -3.20353661
  H     -0.95786080      0.94792739      2.07864239
  O     -3.56312574     -1.64735471      1.98645245
  H     -3.86801296      2.16640636     -4.52820997
  H     -1.92954836      2.61207947      1.07877000
  O     -1.05071106     -0.75034608     -1.37449802
  H     -4.18678805     -2.17999545      1.47702227
  H     -3.17752221      2.02672587      0.37587990
  O     -4.82797568      0.08350366     -2.26720251
  H     -4.01990856     -1.30649653      2.76764058
  H      1.88294451      0.35304818      1.45698968
  O     -5.26118122     -2.90009131      0.13314875
  H     -1.22266899      0.16325102     -1.64111572
  H      0.84028396     -0.77833333      1.49354587
  O     -3.42545229     -2.24929898     -1.75831050
  H     -0.10656372     -0.90347976     -1.50920696
  H      2.44816637      2.91315729      1.53972294
  O     -1.42421922      1.96850783     -2.00848193
  H     -4.56869188      0.26349874     -1.34897898
  H      1.59615500      2.26055350      0.42537718
  O     -1.03698368     -0.74360208      1.42404195
  H     -5.78122561      0.23273788     -2.30140133
  H     -8.26324214      1.14522117     -2.32737157
  O      1.76420950     -0.85596277     -1.42236277
  H     -4.59108949     -2.74418250     -0.55642512
  H     -6.96736414      1.80612768     -1.80605790
  O     -6.40169210      0.94624928      2.13235426
  H     -5.52391202     -3.81401513      0.05697525
  H     -3.85013425      2.51683466      3.54377246
  O     -4.79749899     -0.32641855      4.10712870
  H     -3.94209185     -1.52544106     -2.13980367
  H     -2.39909906      1.94978684      3.50656113
  O     -0.87505674      1.87718627      2.34292019
  H     -2.54145208     -1.88270980     -1.62996136
  H     -6.68631095     -1.54372884      0.18059925
  O     -2.55693147      2.77253267      0.36178827
  H     -1.76798194      2.32440925     -1.17518647
  H     -7.42577934     -0.33331930     -0.45619986
  O      1.76524258     -0.58874217      1.28184822
  H     -2.10635954      2.13509888     -2.66835256
  H     -3.84788533     -0.15494913      0.85115554
  O      1.74095616      2.29209817      1.38805940
  H     -1.07208524     -0.74645768      0.45710271
  H     -5.01636584      0.84211723      0.90875115
  O     -7.43428439      0.95570346     -1.89586379
  H     -1.83765798     -1.18869353      1.73109097
  H     -3.75511477      4.07112032      0.24258474
  O     -3.25677121      1.85755724      3.93492175
  H      1.85205990     -0.83839268     -0.45200919
  H     -4.21787290      5.54611358      0.17908546
  O     -7.36833253     -0.87966820      0.33737585
  H      2.45217547     -1.42678976     -1.75253917
  H     -5.16946648      3.06733629     -2.45698947
  O     -4.23005742      0.60609378      0.39763435
  H     -6.88356790      0.29938044      1.59582551
  H     -5.54329260      3.75572714     -1.13178093
  O     -4.53696709      4.64684413      0.18124767
  H     -5.99657227      0.46618997      2.86648311
  H     -5.10197920      3.91984306      1.89586149
  O     -5.90198876      3.21809357     -1.84862639
  H     -4.20139945      0.44714359      4.10877628
  H     -5.78808715      2.67871462      2.50257897
  O     -5.20809368      3.42366015      2.71388494
  H     -4.99951655     -0.52188500      5.01757922
  H      0.41461645      2.08407615     -1.63591740
  O      1.30837924      1.97762388     -1.28512007
  H      0.03605971      2.12903770      2.15028312
  H      1.55602194      1.06322827     -1.47042070
          69
 Energy    -248.77170065804447     
  O     16.30669745     11.43551497    -12.74517518
  H     16.86384658     10.66426144    -12.57717435
  H      9.56654819      7.96715221     -9.01372800
  O     18.29333232      7.94768800     -8.37497919
  H     16.31980889     11.95346095    -11.93205068
  H     12.57784749      7.66110771    -14.03122473
  O     15.10536483      5.18174961    -11.51444118
  H     17.78341165      8.74150532     -8.57913129
  H     12.57944146      7.73903734    -12.49940580
  O     11.87905282      6.00436425     -9.78843749
  H     18.81255511      7.75922380     -9.16727644
  H     13.07909224     12.25721348     -9.26281425
  O     17.77394508      5.06310974    -10.58275229
  H     14.25449648      4.89640200    -11.86660065
  H     13.13644770     12.43081724    -10.77732980
  O     17.08642041      5.57179880     -7.84453746
  H     14.91965203      5.53855764    -10.63275500
  H     14.63134295      8.05901860    -14.53741178
  O     17.60988216      9.07154770    -11.93443746
  H     12.74880199      5.95619397     -9.37013926
  H     13.93580155      9.39862603    -14.83282953
  O     16.22873872     12.72228851    -10.17777764
  H     11.95456430      5.50316237    -10.60817883
  H     18.86148978      6.40428270    -10.86441368
  O     12.05827289     10.42438084     -9.10270185
  H     17.57642388      5.07489680     -9.63756740
  H     20.29889412      6.90322728    -11.14548687
  O     16.72049386     10.04245890     -9.46348164
  H     16.92182002      4.96694373    -11.02648237
  H     14.48205431      7.07656836     -8.78607101
  O     13.75633540      8.74628760    -11.49803159
  H     17.40972401      5.20632186     -7.02565472
  H     15.34958326      5.83789581     -8.45772802
  O     10.34660501      8.22637506     -9.49764749
  H     17.50502133      6.44552902     -7.94813250
  H     11.58403720     10.63065837    -12.13770374
  O     12.09772508      7.35471726    -13.24809949
  H     16.98052511      8.48388506    -12.37936805
  H     12.84911180     11.26802154    -12.81610455
  O     13.51847064     12.76423429     -9.95328439
  H     18.34589908      8.51398421    -11.65549205
  H     10.77031750      8.60652228    -12.67997669
  O     13.89449063      8.45414263    -15.02362514
  H     16.60342978     13.56201811     -9.92512699
  H     10.24574171      8.95134632    -11.27568380
  O     19.42678314      7.19733744    -10.89710667
  H     15.26555199     12.79721359    -10.06299902
  H     12.24089194      5.65983728    -12.76764484
  O     14.55274117      6.11952467     -8.92284364
  H     12.10215549     10.70473643    -10.02496648
  H     11.92892388      4.14726468    -12.85608016
  O     12.37431520     11.17210283    -11.97884531
  H     11.42114225      9.69647054     -9.09661920
  H     14.88415222     11.31746866    -13.72097906
  O     10.38486900      9.32148450    -12.15652193
  H     16.62990154     10.99481142     -9.58526346
  H     14.09023018     11.87324603    -14.92741564
  O     12.40414275      4.79811345    -12.34629499
  H     16.98636048      9.68251773    -10.32284057
  H     13.60261237      9.46436484     -8.70798881
  O     14.04135256     11.25074541    -14.20596790
  H     13.39004852      9.62162183    -11.66716767
  H     15.15801665      9.33050735     -8.92538216
  O     14.33790989      8.84076285     -8.76599936
  H     13.94169826      8.69382179    -10.55364613
  H     15.58227580      6.60353500    -12.62806994
  O     15.65055355      7.48798180    -13.00871352
  H     10.89213991      7.42558913     -9.59310555
  H     14.99853865      8.01494792    -12.51790442
          69
 Energy    -248.77167551298373     
  O      0.01829230      2.21304414      2.88336345
  H     -0.70748966      2.10053212      2.25845523
  H      0.04350882      8.33004720      1.92221481
  O     -3.06102874      4.77012137      0.85645975
  H      0.00706538      3.14687465      3.13458786
  H      1.51057373      3.56094433      0.05390255
  O      2.82685755      7.11281576      0.23537910
  H     -2.92585279      5.28904531      1.65819929
  H      2.19535957      2.24891054      0.50651311
  O      1.71304341      8.14361349      2.55060341
  H     -2.46774775      5.14432701      0.18415919
  H     -1.94933728      4.10429310     -3.42922637
  O     -1.34383216      5.78215646     -0.97398455
  H      3.61268060      6.56598792      0.12412064
  H     -0.86935853      3.34440047     -2.59570628
  O      3.41171944      4.10914841     -2.07963231
  H      2.51983654      7.38570706     -0.64304222
  H     -1.37838694      9.29156363     -1.43184890
  O      0.86602668      5.14721098      0.58355252
  H      2.18758746      7.90579560      1.73994369
  H     -0.86525018      8.51091960     -0.19660370
  O     -2.24812199      6.29583917      3.05716028
  H      2.00111926      7.50111681      3.20722933
  H      4.21432833      4.55318302      1.64119498
  O     -0.60586808      2.10358934     -1.38969613
  H     -1.26705739      6.72485898     -1.16771862
  H      3.48968311      3.41920323      2.41231639
  O      0.13397628      4.99047223      3.22328269
  H     -1.24717442      5.27699258     -1.79163179
  H     -5.79438219      4.87634892     -0.88665129
  O     -2.16868693      2.15157489      1.02750861
  H      2.89887304      3.49169076     -1.53708285
  H     -4.39497464      4.52622901     -0.36637657
  O     -0.83426369      8.34025336      1.50977839
  H      2.77710627      4.53860580     -2.66322504
  H     -4.30067824      3.46928296     -4.09208914
  O      1.85995788      2.71420034     -0.26764601
  H      0.11462590      5.39219834      0.02846658
  H     -4.19994698      4.16558923     -2.72779510
  O     -1.02116986      4.12151635     -3.15867144
  H      1.53979798      5.83396734      0.48931124
  H      2.89724742      0.89965461      2.60031976
  O     -0.90584163      8.50603481     -1.17182808
  H     -1.40586761      5.82954333      3.20224604
  H      1.67897937      1.85117152      2.52032538
  O      3.84793541      4.31085246      2.49975553
  H     -2.57405658      6.54895509      3.91702043
  H      1.51143677      5.35501069     -4.66639620
  O     -5.00465584      4.38713114     -1.10681430
  H      0.29726917      2.18871061     -1.05307649
  H      0.52425122      4.88458507     -3.57959162
  O     -3.74478974      4.04892555     -3.57648204
  H     -1.16810099      2.04991830     -0.60913582
  H      3.05947310      5.99877457      5.03366564
  O      2.60853630      1.73779170      2.25019550
  H      0.89630262      5.30827089      3.72277100
  H      3.05961901      5.38026554      3.61689997
  O      1.37196966      5.33702866     -3.72208348
  H      0.38504015      5.04308278      2.28654272
  H      5.76752779      5.25742106     -0.29586712
  O      2.54643107      5.93441890      4.23316215
  H     -2.50320399      3.06220087      0.99994778
  H      4.38788122      4.79637544     -0.82120366
  O      4.84866028      5.18051643     -0.05360796
  H     -2.93444003      1.58432575      1.08762908
  H      1.52389711      6.94414321     -2.71486498
  O      1.66315136      7.71592852     -2.15257006
  H     -1.37855519      7.72834002      2.01325268
  H      0.79044407      8.04602386     -1.90518945
          69
 Energy    -248.77164329795707     
  O     18.54858958      9.85555925    -10.73453602
  H     19.29105465      9.23929737    -10.70554592
  H     14.69433387     10.79846251    -10.83994874
  O     13.97793736      5.32144353     -8.93930316
  H     17.83985871      9.46094053    -10.20339971
  H     11.96485828      9.95708412     -8.20376146
  O     18.74001840     12.25708122     -9.35967192
  H     13.91175256      4.37023777     -8.93850561
  H     13.29871092      9.93239204     -8.98443318
  O     12.54686727      7.29180962    -10.45916187
  H     14.76266482      5.54891421     -9.46773354
  H     19.17133763      6.13973108    -13.19615932
  O     17.36538214      9.29980166    -13.13398100
  H     19.26135618     11.96893055     -8.59951336
  H     18.85507156      5.30165694    -11.94437646
  O     20.47039505      7.84697529    -10.83164162
  H     18.72759129     11.49735533     -9.95936269
  H     16.16459994      7.13079855    -10.05589077
  O     20.64245574      8.60370208     -8.09429928
  H     12.46738710      7.99944488     -9.80863236
  H     16.04337493      6.31024009    -11.36686275
  O     18.80501737      5.77892276     -9.98558881
  H     12.91495246      6.54196411     -9.97745948
  H     18.95040745      8.44793647    -13.58252473
  O     13.79907026      8.10648126    -12.78812314
  H     17.80009360      9.55009137    -12.30321808
  H     20.21940526      8.19502984    -14.42152282
  O     16.19379689     12.59474429     -8.55064889
  H     16.54013256      9.79748212    -13.14413333
  H     18.15891612     10.87718737     -6.62762888
  O     14.82881010     10.56548276    -12.69104555
  H     19.91508390      7.09730741    -10.56574607
  H     16.77512757     11.36230856     -7.09478056
  O     14.60066652     10.75727667     -9.87940948
  H     20.44804308      7.87358216    -11.79516434
  H     15.75102608      9.38638001     -9.51239043
  O     12.66512499      9.37972928     -8.49804897
  H     20.12432523      7.87121466     -7.73822600
  H     16.56398492      8.56395758     -8.45206734
  O     18.67538017      5.37022277    -12.88926522
  H     20.79506903      8.39170581     -9.02296535
  H     20.24047923     10.18103237     -7.47256593
  O     16.08721704      6.22947855    -10.40509434
  H     17.85288057      5.86317521    -10.13857811
  H     20.68902804     11.33183542     -6.54532375
  O     19.77848547      7.94314317    -13.61328037
  H     18.91843479      5.88333117     -9.03268901
  H     14.05268806      6.63845363     -7.57040729
  O     17.21022742     10.75434730     -6.48821231
  H     14.47195607      7.45142806    -13.00588968
  H     13.61368620      8.10621975     -7.42325493
  O     16.45394577      8.73551197     -9.39630449
  H     13.31863182      7.77895452    -12.01334275
  H     16.60355932      7.57236373    -13.15525944
  O     19.97842921     11.04734907     -7.11395255
  H     16.05005303     13.50109010     -8.29122550
  H     16.99888014      6.08033559    -13.17934702
  O     14.15714893      7.42154194     -7.01511535
  H     17.10734924     12.54092672     -8.88596973
  H     18.15572943      7.01643005     -7.01065847
  O     16.23823418      6.67716583    -13.12994404
  H     14.38967626     11.12772715    -13.32395161
  H     19.10961482      5.92541939     -6.47456324
  O     18.93928956      6.48251419     -7.23013905
  H     14.39487335      9.69160568    -12.74271041
  H     16.88703040      9.00592779     -6.48615495
  O     16.78634438      8.06864861     -6.71222066
  H     15.12090177     11.46750886     -9.47762239
  H     15.84716024      7.82984859     -6.67933055
          69
 Energy    -248.77121391175075     
  O     13.86197404     13.74321695    -11.31631952
  H     13.12825589     13.13181473    -11.46457111
  H     15.40213402     13.78034014    -17.55156648
  O     15.16522816     12.13629691    -18.06942062
  H     14.24314239     13.55683227    -10.44841102
  H     13.93191944     15.37730549    -14.47576021
  O     13.70099126      9.56528152    -11.40522559
  H     14.40885442     11.64491974    -17.72138216
  H     14.22833907     14.96801337    -15.93737863
  O     17.35600604     14.84252006    -12.76578860
  H     15.94665604     11.65654778    -17.76851190
  H     17.75678787     11.27583996    -10.77532045
  O     13.30178161     10.59708037    -16.65023767
  H     13.22042304      8.76154420    -11.63829055
  H     18.66262284     10.05744489    -10.47008894
  O     12.27638769      7.39176557    -12.42482179
  H     14.50128982      9.57942001    -11.94942994
  H     18.26622720     10.76669486    -16.92788960
  O     13.26741267      7.40684127    -14.95297135
  H     17.48172269     14.40939235    -13.61795661
  H     17.36991791     11.71570376    -16.10252504
  O     15.18891567     12.35292445    -13.40461486
  H     16.50380061     15.29195263    -12.82185313
  H     10.88226587      9.24826344    -15.10136859
  O     12.03772093     11.73163870    -12.10152201
  H     12.50025986     10.06440145    -16.57061016
  H     10.30373574      8.75478635    -16.44858926
  O     15.43637831      9.19216177    -15.48444426
  H     14.01380877     10.09665865    -16.22536493
  H     16.17925826     10.25747696     -9.68294113
  O     12.75300780     12.45665568    -14.66834610
  H     12.08012031      6.50369345    -12.13978728
  H     14.66116410     10.07896176     -9.89716489
  O     15.62971805     14.63554950    -17.14368125
  H     12.68160712      7.32316267    -13.30806840
  H     15.19763141     12.13854775     -9.00239615
  O     13.53448292     14.99261007    -15.26673224
  H     14.07481215      7.87592694    -15.19686140
  H     15.12879630     13.35323976     -8.04480476
  O     17.78862394     10.30059391    -10.76155167
  H     12.54903938      7.83630133    -15.43483990
  H     16.73668098      9.86526156    -12.21169450
  O     17.36217438     10.92467858    -16.66714893
  H     14.97840491     12.83222681    -12.59532164
  H     15.79300333     10.74954056    -13.06891879
  O     11.11730707      8.98841594    -16.01010552
  H     14.37194483     12.33985837    -13.92312559
  H     14.31184298     15.19084566    -12.23185181
  O     15.31856620     10.43438071     -9.28367751
  H     12.21769163     11.97047007    -13.02537429
  H     14.40897478     16.72419502    -12.39666372
  O     15.18982851     13.11253868     -8.96486412
  H     12.63103927     11.00407412    -11.86159353
  H     11.05945748      8.78662083    -12.95315907
  O     16.04130908      9.82952891    -12.87980360
  H     15.65943790      9.30252801    -14.54797475
  H     10.89565982     10.31901581    -12.90693519
  O     14.66792988     15.89763776    -12.79750618
  H     16.13681235      9.64550590    -15.96892209
  H     17.50205856     13.65459505    -11.39071139
  O     10.62240181      9.52995959    -13.38799234
  H     12.90031333     13.37438540    -14.94540090
  H     16.79122025     13.19653340    -10.08565633
  O     17.49535431     12.97345366    -10.70393271
  H     12.86849025     11.87640067    -15.43069339
  H     16.66040122     13.82022728    -15.81079908
  O     17.10720882     13.24841373    -15.17210362
  H     15.87352884     15.22374448    -17.85329524
  H     16.43790148     12.96245089    -14.52999173
          69
 Energy    -248.77107043735731     
  O      1.35388370      0.20348707      4.66811332
  H      0.65822114     -0.35002728      5.05115287
  H     -3.59492413     -1.71118968      4.29020283
  O      1.07131318     -0.41506951     -2.89780490
  H      1.01376921      1.10397682      4.70231231
  H     -2.02519889      3.53308261      1.45986713
  O     -0.82521970     -1.46996925      5.27707698
  H      0.28904389     -0.03647407     -2.47723660
  H     -3.12586915      3.19327805      0.43709786
  O     -0.96692380      0.49612905     -1.09490920
  H      1.06941789     -1.34959437     -2.65408699
  H     -0.10471158      2.92676503      2.84357739
  O      1.14092767     -3.01892211     -1.68436698
  H     -1.76484664     -1.27205688      5.35472162
  H      0.33619589      2.44603342      1.41855754
  O      2.99296954     -1.87213059     -0.07371347
  H     -0.72819810     -1.84319576      4.39385145
  H     -2.41325920      1.52637167     -1.15525341
  O     -4.36536823      3.27788872      3.57201734
  H     -1.15352440     -0.42584800     -0.86587510
  H     -3.46981495      2.28870232     -1.98730015
  O     -3.36263161     -3.20637035      3.08828636
  H     -0.22927816      0.77942868     -0.53751976
  H     -2.13054255      0.74320772      3.26494337
  O     -0.00346479      2.73558034      4.70651450
  H      1.45250310     -3.85202497     -2.02746452
  H     -1.32766672      1.29447242      2.07739751
  O      3.15957610      0.63220005     -1.49184816
  H      1.83307710     -2.68224984     -1.08680005
  H     -0.45174766     -2.58487045     -0.86074260
  O     -5.43085368      0.63315949      3.32051539
  H      2.66417784     -1.62972248      0.80283938
  H     -1.02961204     -2.23167236      0.53950246
  O     -3.66084320     -0.88600904      4.78495507
  H      3.23795640     -1.04501846     -0.50578051
  H      1.71347101     -0.53261621      3.08906711
  O     -2.96904048      3.64173793      1.27565386
  H     -3.90539926      3.42714206      2.72651712
  H      0.85230319     -1.49576373      2.24765382
  O     -0.36434300      2.89337559      1.91342857
  H     -4.81987969      4.08863413      3.78406150
  H     -2.94833047      0.81306659      5.10407228
  O     -3.23758893      2.03935629     -1.09651965
  H     -3.68323844     -4.07480250      3.31686825
  H     -3.18915523      2.25063647      4.54187071
  O     -1.83229346      0.52730012      2.37301515
  H     -3.65995432     -3.02349488      2.17834696
  H      1.97445851      1.14943411     -0.14878554
  O     -1.21323187     -2.19879689     -0.40878017
  H      0.16133109      3.37184277      5.39815071
  H      1.39792004      0.45815925      1.11596782
  O      1.65307760     -0.95810139      2.21961845
  H     -0.88154064      2.35428638      4.87931979
  H     -1.69464566     -2.59094061      2.64105608
  O     -2.52098859      1.65956152      4.91799007
  H      2.47235603      0.29998041     -2.09684482
  H     -1.21839508     -1.13021280      2.39494722
  O      1.25695900      1.18770736      0.49496183
  H      3.81820340      1.06430497     -2.02833249
  H     -3.06339990     -2.55536263      0.01467982
  O     -0.92511499     -2.05802254      2.39902884
  H     -5.18941825      0.43909447      2.40472035
  H     -4.13344970     -1.60096732      0.56450020
  O     -3.88397080     -2.53551256      0.52241503
  H     -5.24702919      1.57380646      3.43032433
  H     -4.06167721      0.82372980      0.10711964
  O     -4.16526383      0.21083448      0.84333389
  H     -4.38143426     -0.39591818      4.35633278
  H     -3.36246394      0.31100663      1.37696366
          69
 Energy    -248.77100942818663     
  O     13.50554475      9.58700183    -15.58282685
  H     12.72523288      9.27291787    -15.08848557
  H     16.88594864      4.74629388    -13.99377877
  O     11.03424923      9.12955139    -11.43687089
  H     13.18035588     10.14934462    -16.27998360
  H     14.81795430      7.21309369    -11.77885225
  O     15.40083910      6.50425687    -10.20042814
  H     10.78749083      8.23533810    -11.16685502
  H     14.64996128      8.46456919    -12.69506549
  O     14.34872259      2.49839806     -9.27310495
  H     11.68315967      9.42329231    -10.78789015
  H     11.28580822      8.96392062    -13.24104440
  O     12.98026409      9.75200033     -9.37536186
  H     15.57373516      5.61039130    -10.52818027
  H     11.55191230      7.67153397    -14.01291624
  O     15.61838331      3.97318456    -11.26689713
  H     16.23184768      6.98992867    -10.14183323
  H     18.04549010      7.89218450    -11.16139378
  O     12.33777244      2.35753684    -11.33883967
  H     14.58090665      1.84407149     -8.62007708
  H     18.31411020      8.41859284     -9.73437807
  O     15.17465716     10.18105677    -13.34048605
  H     13.77123718      3.14608594     -8.82966272
  H     16.73393178      8.28464786    -14.90853117
  O     12.59684695      4.27455197     -8.21209413
  H     12.81422393     10.51074712     -8.82157012
  H     17.86944746      8.33858463    -13.87102985
  O     10.40160308      3.69350759     -9.96734451
  H     13.84747714      9.89718404     -9.79197672
  H     12.93537471      7.93603813     -8.94014155
  O     10.88679128      6.37508431    -10.66137917
  H     14.94247979      3.93439414    -11.96052703
  H     13.87012139      6.77828917     -9.34269387
  O     17.41102821      4.90101688    -13.20029437
  H     15.31168624      3.40403055    -10.54989932
  H     16.16440428      9.54440575    -10.49502858
  O     14.50659006      7.51179161    -12.64087353
  H     12.76010070      2.74136696    -12.11805205
  H     15.32553159     10.32676036    -11.52918435
  O     11.47029629      8.62516085    -14.12964355
  H     13.03728579      2.24872064    -10.68302908
  H     19.67138668      7.01289022    -12.87591586
  O     17.61626748      8.21603191    -10.35351147
  H     14.55190538     10.16885197    -14.07674089
  H     18.28086273      6.33618362    -12.85387870
  O     17.34054482      8.88815562    -14.46038165
  H     16.01956782      9.86821148    -13.70027541
  H     12.95917222      6.65488445    -12.93835308
  O     13.01075178      6.97370833     -8.93955800
  H     12.73595697      5.22691383     -8.29506363
  H     11.65954338      6.12480941    -12.29041490
  O     15.39212141     10.11147785    -10.58749946
  H     11.76647588      4.08567425     -8.66706077
  H     14.97569614      7.24225918    -14.34210793
  O     18.75703008      7.16144965    -12.64811608
  H      9.62002996      3.15412123     -9.88416251
  H     14.57781268      7.99749840    -15.61873400
  O     12.19454489      6.07853560    -13.09467119
  H     11.02963012      3.19513198    -10.52014620
  H     15.38755928      5.52937463    -15.47624620
  O     15.12363252      7.26743001    -15.30189042
  H     11.62057963      6.56528880    -10.05837118
  H     15.69642655      4.23292164    -16.26131671
  O     15.56889754      4.57830715    -15.38139717
  H     10.56836333      5.49350425    -10.43304862
  H     14.29339848      3.95396871    -14.09196689
  O     13.73462493      3.83120054    -13.31680528
  H     16.91885720      4.49466566    -12.47430085
  H     13.12647008      4.58687224    -13.28825329
          69
 Energy    -248.77094948096044     
  O     14.68375558     11.01060134    -16.20745979
  H     15.33323020     10.94751825    -16.91570626
  H     20.32790656      7.35955338    -15.53791194
  O     14.52215245      4.87218853    -16.51159740
  H     15.14073934     11.42150614    -15.46357868
  H     18.09503497     10.21528564    -17.19332643
  O     17.08583102      7.91225195    -11.50283900
  H     14.31201542      4.97617121    -15.57473080
  H     19.30779384      9.26511755    -16.91420524
  O     20.22815782      7.75532168    -17.43950337
  H     14.02938571      5.55918977    -16.97572646
  H     16.36835165      8.40682803    -14.79968478
  O     18.14586804      6.33064176    -18.44405596
  H     16.55665455      8.41087338    -12.14596730
  H     17.57279040      8.62534475    -15.75261940
  O     14.29494414      7.38164257    -10.63574481
  H     17.99968921      8.16276007    -11.68251751
  H     12.85578899      8.67102125    -14.89572577
  O     14.12145094      5.32886683    -13.75684328
  H     19.51448563      7.20665006    -17.81153586
  H     13.50747188      9.64338948    -15.92691957
  O     15.59266946      9.18416928    -13.39540304
  H     20.97789123      7.65966353    -18.02068580
  H     15.32713936      4.68581690    -11.42047429
  O     17.91007382      5.51289991    -14.90056679
  H     17.85011855      5.48842739    -18.07770900
  H     14.64849297      3.79007638    -10.36458881
  O     18.60234341     10.98345894    -13.95198968
  H     17.35088064      6.87812553    -18.48975800
  H     13.06941595      7.70215176    -17.07075641
  O     17.02146395      4.06698778    -17.13387060
  H     15.22917970      7.61562870    -10.67435917
  H     12.42301841      7.03085433    -18.30740451
  O     20.17136765      7.11992315    -14.61803565
  H     14.26967491      6.41669109    -10.60200224
  H     19.85099848      8.16200784    -13.24120697
  O     18.70838813      9.90796777    -16.51293229
  H     13.74994527      4.85392702    -13.00765160
  H     20.44159914      8.82902318    -11.98146089
  O     16.87683173      7.99949554    -15.51373501
  H     15.04230249      5.47574872    -13.49425683
  H     16.83135187      6.23358567    -12.09664441
  O     12.94027376      8.86343564    -15.83523204
  H     14.67958972      8.87513378    -13.33238652
  H     17.17452602      5.28503182    -13.27951135
  O     14.48734499      4.51865227    -10.95866810
  H     15.60376012     10.14392046    -13.48724873
  H     16.31528975      9.59756403    -18.35248930
  O     13.21835707      7.05185566    -17.78324362
  H     17.52599221      6.37376336    -15.13443474
  H     16.52973437     10.88273496    -19.18934587
  O     19.63523719      8.73230424    -12.48253076
  H     17.70053293      4.91212307    -15.62451536
  H     13.38067911      7.85609442    -12.18387796
  O     16.62881016      5.37075149    -12.48644945
  H     18.74953523     10.69294407    -14.86339423
  H     13.38479381      7.05424659    -13.48867885
  O     16.63593782     10.51580997    -18.31549150
  H     18.94307715     10.27844254    -13.38979492
  H     17.00141457     11.63812505    -13.87465118
  O     13.16374974      7.92314040    -13.12624048
  H     16.99638720      3.14444654    -17.37171745
  H     15.98899544     12.68753026    -13.35013589
  O     16.05974676     11.89020185    -13.86722988
  H     16.10170038      4.33489927    -16.95151745
  H     14.93786816      7.61483778    -18.11765118
  O     15.85245267      7.91765673    -18.07567379
  H     19.49610068      6.42798659    -14.64998020
  H     16.11400785      7.88425279    -17.14115761
          69
 Energy    -248.77087810425365     
  O     16.77582291      9.79493775    -15.71392013
  H     16.89412045     10.72680500    -15.93799218
  H     17.36469170      4.55243500    -14.17875768
  O     16.99350601     12.56137774    -16.07033494
  H     17.64441334      9.39485977    -15.56661239
  H     15.48355477      7.12737501    -12.14909534
  O     14.53906983      8.16449093    -15.68784641
  H     16.42151126     12.90966569    -15.36176833
  H     15.93317116      8.00645486    -10.90680409
  O     19.13279264      8.51362522    -15.04188708
  H     16.87843214     13.13292408    -16.82467289
  H     18.82208370      7.13946671    -16.16599430
  O     20.81443357     10.52732003    -14.09800155
  H     15.30250876      8.75505119    -15.76376528
  H     19.21098314      6.21841442    -17.34166510
  O     18.72604078      7.10931288    -12.70999342
  H     13.76161123      8.71997835    -15.55806947
  H     17.59419596     12.64988252    -11.49938568
  O     12.17624853      8.23836629    -12.61462172
  H     19.79123685      9.18724305    -14.83190109
  H     17.80642009     14.16880963    -11.30151681
  O     15.55577061     13.44852509    -13.96324547
  H     18.95959422      8.03423749    -14.21603783
  H     15.26832278      6.63043169    -16.49032144
  O     12.28383238      9.70814857    -14.88495213
  H     21.71342102     10.82357118    -14.21124538
  H     16.67338417      6.04516363    -16.78086576
  O     13.76015078     11.41783836    -13.17096506
  H     20.24940793     11.32007268    -14.13225839
  H     16.10410366      9.09864332    -12.64883361
  O     13.05008008     10.28246671    -10.74530608
  H     18.69084398      6.23219621    -13.11645612
  H     16.37358020      9.91398763    -13.95825835
  O     18.28947003      4.82592035    -14.20373759
  H     17.86525753      7.24231127    -12.28538790
  H     18.49582112     12.65664016    -14.91088647
  O     16.22916594      7.56036840    -11.71381132
  H     12.46247579      8.76906418    -11.86242700
  H     18.69997319     12.99209011    -13.42104180
  O     18.55323715      6.34997616    -16.66284562
  H     12.83395530      7.54031388    -12.73968272
  H     17.01519237     10.69275496    -11.72291402
  O     17.59168649     13.50908464    -11.95579605
  H     16.16590370     13.54075573    -13.22028449
  H     18.38360182     10.49296266    -11.03947358
  O     15.74182023      5.81051119    -16.68446248
  H     14.83590608     12.87855663    -13.66397130
  H     14.59975451      5.66782055    -13.63763017
  O     16.05755522      9.97767320    -13.04930640
  H     11.43784196      9.77652515    -15.31937187
  H     14.40576440      7.10777394    -14.16450468
  O     19.14964980     12.64762682    -14.20186867
  H     12.14983173      9.15979356    -14.08949653
  H     20.22964006      9.86427936    -12.35841336
  O     17.54857378     10.97941856    -10.96558340
  H     14.58333599     10.90225355    -13.11741574
  H     19.53602227      8.59777756    -11.83659772
  O     14.28252386      6.54424685    -13.38650292
  H     13.21197395     10.98284092    -13.83548210
  H     16.22080665      9.95025065     -9.91333067
  O     19.78785934      9.49622387    -11.58479302
  H     13.24897301     10.79968842    -11.54260555
  H     14.69629131      9.67810357     -9.97839975
  O     15.54122343      9.29418129     -9.71253094
  H     12.41213149     10.78563467    -10.24407764
  H     15.13604408      3.36934504    -14.69511407
  O     15.46193541      4.24166724    -14.48964974
  H     18.42722945      5.19124110    -15.08587276
  H     15.52734050      4.72507166    -15.33388889
          69
 Energy    -248.77082672794245     
  O     10.98364798     10.14880405    -13.52619748
  H     11.30890182     10.97204221    -13.14309637
  H     19.22126739     10.98005733    -14.00643278
  O     17.00028712      8.18170315    -14.16861782
  H     11.16944574     10.20505369    -14.47140000
  H     13.87747874     13.08271186    -15.33083873
  O     16.99808186     11.45491854    -11.25399335
  H     17.03952111      8.06623070    -15.12781759
  H     12.72506937     12.80986699    -14.34029593
  O     15.66247595     13.73669510    -15.40306144
  H     16.34961475      8.89081932    -14.05226656
  H     15.80115482     10.70461316    -14.93593094
  O     13.24962032      6.75834067    -14.06794919
  H     16.05440910     11.29394827    -11.39705522
  H     14.63132102      9.69029037    -14.89742574
  O     15.69246413      8.22899510     -8.84699014
  H     17.19930543     11.15833918    -10.35774855
  H     11.19316493      8.66974455    -12.66003596
  O     15.55005565      6.68730637    -12.35024421
  H     15.76911495     14.63707004    -15.70055774
  H     10.52765963      7.46873695    -11.94532991
  O     14.36240663     10.88555402    -11.86319145
  H     16.21567345     13.64039267    -14.60744472
  H     18.65285648      9.01384223     -9.74808099
  O     16.55246689      8.52757943    -16.87313714
  H     14.01646055      6.54711753    -13.52136590
  H     19.08954425      8.79235628    -11.20627574
  O     17.29226067      6.24747101    -10.17219857
  H     12.55729389      7.03576922    -13.45626091
  H     18.14828437     12.90986741    -13.77754351
  O     16.95788427     11.35485115    -16.22411338
  H     16.17918974      7.45884997     -9.16631231
  H     17.24537309     12.80786112    -12.53774846
  O     19.32304537     11.67567853    -14.67833939
  H     14.92815353      8.31281014     -9.43266286
  H     18.08352841     10.36468157    -12.25606914
  O     12.96254726     12.78334710    -15.27591779
  H     16.12931552      6.40252202    -11.63278053
  H     18.19263574      9.16260546    -13.25455930
  O     15.18719062     10.25566841    -14.34110028
  H     16.11930280      7.10983992    -13.00952142
  H     17.65161010     10.53143089     -7.88635229
  O     11.37304126      7.84145530    -12.17982360
  H     14.62736701     10.69904948    -12.78009723
  H     16.81263679      9.55533101     -8.74673290
  O     19.01258959      8.35128925    -10.35104617
  H     14.13809802     10.03678291    -11.45821068
  H     13.55138247      7.88258650    -15.42352142
  O     17.39070414     13.32093558    -13.34292775
  H     16.73358092      9.47552045    -16.87084074
  H     13.04579706      9.14553439    -16.20802711
  O     18.70588526      9.82127852    -12.76303946
  H     15.59364704      8.45119169    -16.76745695
  H     12.92395981      8.15358699    -11.22846194
  O     17.51164035     10.23371616     -8.78101326
  H     17.96695419      6.94297157    -10.26957806
  H     14.41577655      7.78490100    -11.44099359
  O     13.81152092      8.58248496    -16.04285164
  H     17.74238296      5.47081124     -9.85076105
  H     13.03242495     11.98228317    -12.20272839
  O     13.81936841      8.34806241    -10.92486095
  H     17.81931461     11.45007505    -15.79631851
  H     12.04966657     13.11895784    -11.83273489
  O     12.27400453     12.50072374    -12.52303407
  H     16.52614932     12.21691530    -16.16555819
  H     11.21402188     10.76031162    -16.96625562
  O     11.78429014     10.53425853    -16.23609536
  H     20.25102976     11.71674788    -14.89375080
  H     12.23657759     11.35517559    -15.96961926
          69
 Energy    -248.77078919350569     
  O     19.15654991     10.43408467    -12.74863750
  H     19.29548593     10.58648218    -11.80718575
  H     15.83284170     12.07535832    -13.28133540
  O     18.42100853      7.86151301    -10.42713266
  H     18.33318577     10.89293464    -12.96436466
  H     15.34071714      7.27137361    -10.25021234
  O     14.50673535     10.48289530     -9.28805558
  H     18.53176412      7.85917345    -11.38760375
  H     16.67652735      8.04970744    -10.06918739
  O     13.34829776     10.32721014    -15.25536600
  H     18.61667947      6.96331030    -10.12234606
  H     15.84898310      9.97988317    -12.72554904
  O     17.12771549      3.60622791    -12.76268087
  H     14.10902143     10.42079149     -8.42280913
  H     15.60425092      8.79138192    -11.73775020
  O     14.64083202      8.35308141    -16.60925343
  H     14.89373362      9.61231555     -9.47954041
  H     12.79152913      7.29309474    -14.26583924
  O     14.73962310      5.69273705    -10.91370097
  H     13.63192035     11.16505281    -14.87126828
  H     13.52555603      7.09987545    -15.59709876
  O     12.99066285     11.30986734    -11.59082610
  H     12.92365273      9.84342461    -14.53534493
  H     19.20204823      5.06561861    -10.87998816
  O     19.56280419      5.11880556    -12.77471627
  H     17.96456013      4.07242251    -12.88117162
  H     18.08021674      4.66861419     -9.90117184
  O     16.76632714     11.98154827    -10.20796592
  H     16.44956579      4.14433869    -13.19423185
  H     16.19048706      8.20156994    -13.96252364
  O     14.08576363     12.62511701    -13.70967405
  H     14.21172428      9.12268094    -16.19428438
  H     16.06393253      7.87974845    -15.46759339
  O     16.58433300     11.60662347    -12.90087267
  H     14.57349139      8.47779437    -17.55210120
  H     19.88661612     10.49234288     -9.24557735
  O     15.71341292      8.13752555    -10.03686122
  H     15.24510161      4.97642709    -10.51096123
  H     18.92910033      9.50319069     -9.94642245
  O     15.46986840      9.09349068    -12.64373883
  H     14.90608135      5.64462131    -11.86739633
  H     18.16178441      7.68689566    -13.82414185
  O     13.06206874      6.61901710    -14.89971778
  H     12.70853295     10.46696550    -11.96602916
  H     19.12638362      8.69549490    -13.14589827
  O     18.86976412      5.21645711     -9.98515653
  H     13.48019639     11.09090188    -10.78884090
  H     16.70735354      3.51224027    -11.08157138
  O     16.58372479      7.67803614    -14.68073220
  H     20.38940282      4.89318649    -13.19462974
  H     16.36722510      2.74773077     -9.77790271
  O     19.13734731     10.44567769     -9.83429257
  H     19.40233671      6.05748680    -12.96808277
  H     15.82936761      6.15529664    -13.99038193
  O     18.90637375      7.75361611    -13.20969939
  H     16.02211462     11.53975532     -9.78191105
  H     14.38284341      5.66489302    -14.06364424
  O     16.47630175      3.62281340    -10.14014292
  H     17.56398061     11.49901533     -9.95467377
  H     13.03773036      6.35453481    -10.94663946
  O     15.23225783      5.48121156    -13.63899973
  H     13.75134970     13.51471186    -13.78750594
  H     11.50954602      6.19174130    -10.98189449
  O     12.20692616      6.83607932    -11.08053603
  H     13.67463887     12.23930566    -12.91483702
  H     12.46136372      8.14627062    -12.27086005
  O     12.74013994      8.78189916    -12.94610682
  H     16.63720794     11.85646738    -11.96327331
  H     13.70435036      8.87646782    -12.87433808
          69
 Energy    -248.77077520132804     
  O     15.05636095     12.27508331    -14.56333787
  H     14.25553633     11.74637765    -14.65706559
  H     15.01788709      5.52760848    -15.60559772
  O     15.03436884      6.38041656    -13.87852262
  H     15.54813826     11.86585336    -13.83859981
  H     19.05641707      4.30596918    -13.37556174
  O     18.97727500      7.46524950    -12.27781352
  H     15.52454907      6.01188785    -13.13106699
  H     17.65150419      4.34684452    -12.75212903
  O     18.26410190      7.66096428    -17.53295965
  H     15.68635066      6.91349885    -14.36417068
  H     19.47110137     10.92871536    -17.09998473
  O     15.63325759      7.04354268    -18.47951286
  H     19.56706561      6.84609832    -12.72694500
  H     17.96122756     10.79873024    -16.78209166
  O     16.78165991     10.62859725     -9.89609408
  H     18.94254524      8.26370945    -12.82197436
  H     17.39368574      8.53589493    -14.64133095
  O     14.21532569      8.84935741    -12.83237416
  H     18.45078324      8.59853946    -17.39061106
  H     17.32527191      7.66630096    -15.91544913
  O     18.60508556      9.68180977    -13.91641342
  H     17.43548261      7.57245894    -18.02094157
  H     15.42801290      7.31188389     -9.53424540
  O     17.48567383      3.54246324    -15.93449359
  H     15.33545622      6.66875925    -19.30372120
  H     15.62881054      6.16051701     -8.51878821
  O     14.59839535      8.75828918    -10.04221373
  H     15.48648710      6.36610216    -17.79267224
  H     13.54858477      9.80867480    -15.67193122
  O     19.52743897      5.51983884    -16.26305997
  H     17.04279525     11.25731309     -9.22917780
  H     12.12753044     10.31115594    -15.32597591
  O     15.30626095      5.24574302    -16.48247028
  H     17.36714138      9.85528273     -9.80208337
  H     21.39414945      5.36745665    -13.72935289
  O     18.21690528      3.83117995    -13.34277474
  H     13.67174209      9.30614342    -13.48585181
  H     20.18252605      5.61602703    -14.65924037
  O     18.82381820     10.35036124    -16.70507089
  H     14.38793638      7.96066313    -13.17218842
  H     17.50524129      6.36610255    -12.01793174
  O     16.80681105      7.97746848    -15.16362810
  H     18.76769982     10.02670912    -14.80247734
  H     16.49870297      5.88412964    -10.94138252
  O     16.00546593      6.56414668     -9.29559581
  H     17.87741269     10.17993422    -13.51178810
  H     18.61418751      8.04202119    -10.54268579
  O     13.01151806     10.22684363    -14.97767302
  H     17.56227213      2.62365120    -16.17854810
  H     17.58540477      7.66859920     -9.45341350
  O     20.46516501      5.58186301    -13.72727016
  H     17.68647776      3.59425173    -14.98249205
  H     15.98920876     11.88166710    -16.08792503
  O     16.80512016      5.72076993    -11.84136025
  H     14.33326872      8.78666487    -10.97139475
  H     15.77896060     10.67485383    -17.00713519
  O     18.22596424      8.34335371     -9.71010870
  H     15.21251373      9.49211830     -9.91722425
  H     15.66657612      9.99268472    -12.73126110
  O     16.37018210     11.42057814    -16.84924689
  H     19.19331014      6.25447358    -16.79332437
  H     16.53590432     10.77045015    -11.70973708
  O     16.36605602     10.65707439    -12.65369954
  H     18.84542933      4.83700594    -16.28226879
  H     14.88344398      8.45553341    -17.46605871
  O     14.78947332      9.07011375    -16.72947092
  H     16.02555199      4.61833907    -16.33225715
  H     15.45338646      8.78584814    -16.08243913
          69
 Energy    -248.77065245847285     
  O     14.49519472     11.93365500    -12.06705212
  H     15.19733233     11.75783279    -12.71016365
  H     19.20890636      4.44086990    -11.99740375
  O     15.34953703      6.59939603    -15.08524794
  H     14.84093093     11.63076605    -11.22082698
  H     18.37109463      9.59860031    -11.61149596
  O     14.83411090      5.77567157    -10.43166056
  H     14.40557059      6.81062961    -15.06086088
  H     17.70041234     10.83501071    -12.23951125
  O     15.76173602     10.71701550    -16.46218694
  H     15.50945186      5.91054728    -14.42583445
  H     15.78536842      7.83463293    -13.81824438
  O     10.79280622      6.10548829    -11.92583150
  H     14.68092662      6.73009728    -10.47853351
  H     16.92393216      8.18655809    -12.81393046
  O     12.70300569      7.36128462    -14.78623105
  H     13.97884442      5.33401149    -10.35701414
  H     12.99654051     11.47618248    -12.78218421
  O     14.51433127      8.47589347    -10.82335139
  H     15.67038624     11.25904703    -17.24111605
  H     11.56298531     11.88259515    -13.20190709
  O     19.50116285      8.20828027    -14.95024723
  H     14.86034930     10.46499536    -16.19128525
  H     14.18888185      3.90925470    -13.15727634
  O     11.32415357      4.94422991    -14.50313127
  H     10.79546431      5.74473730    -12.82091828
  H     12.99640622      3.75697891    -12.19260060
  O     18.63896615      7.87650084    -12.39359268
  H     11.14812321      7.00268341    -11.99433781
  H     12.89720110     10.46466878    -14.85760043
  O     17.20211978      8.23746539    -16.42031041
  H     12.17195401      6.55673654    -14.83036779
  H     13.05128231      9.07323857    -15.49787993
  O     18.48983167      5.06473903    -11.93722863
  H     12.55586965      7.73893816    -13.90723742
  H     16.41023337      5.31333375     -9.72167284
  O     18.01202999     10.47023610    -11.40022828
  H     14.86637125      9.21602017    -10.31604953
  H     17.45891823      5.44622229     -8.60217187
  O     16.01459607      8.39836426    -13.07051676
  H     15.02545614      8.45337996    -11.65035063
  H     15.43471995      5.24697523    -12.11222926
  O     12.18736397     11.16267288    -13.22581659
  H     20.21522280      8.52240114    -15.49755792
  H     16.76151901      4.82683800    -12.76216462
  O     13.26329847      3.63866659    -13.11273904
  H     18.70797917      8.21515303    -15.51319173
  H     11.76332043      5.06235568    -10.94239144
  O     13.29109881     10.00204611    -15.60683421
  H     12.03227473      4.42642682    -14.07937446
  H     11.87056571      3.96472225     -9.85560000
  O     17.32402095      5.09173309     -9.47724132
  H     10.85205901      4.34822978    -15.07789485
  H     12.03851604      9.43747429    -12.57441878
  O     15.81251730      4.87774589    -12.92351179
  H     18.66998409      6.93217941    -12.20503476
  H     12.92561703      8.51638273    -11.70037322
  O     12.38007840      4.45499983    -10.49477210
  H     19.02246708      8.00442859    -13.27731106
  H     16.05598232     11.17780063     -8.98706213
  O     12.15821950      8.52278089    -12.28913999
  H     16.72925456      9.07493372    -16.49349023
  H     16.64894589     10.63776780    -10.30855936
  O     15.82434400     10.73418413     -9.79823699
  H     16.56164664      7.59029755    -16.09561895
  H     16.29638715     10.11719568    -13.53673476
  O     16.51596679     11.03617228    -13.75827158
  H     18.15851181      5.02903906    -11.02266482
  H     16.39438324     11.09983064    -14.71189041
          69
 Energy    -248.77045767875805     
  O     11.63561577      9.91037960    -15.28615185
  H     12.16460413      9.25335500    -15.76442439
  H     16.12405092      5.82075343    -14.76180385
  O     16.22384551      6.65252255    -13.15467692
  H     12.09304297     10.74684657    -15.41600621
  H     18.93265307      7.81854880    -13.40010245
  O     16.78792060     11.97544042    -12.50201899
  H     17.11366985      6.84608483    -12.83660620
  H     19.61620777      6.77440738    -12.49144561
  O     17.19459083     10.73319250    -14.89170985
  H     15.60484434      6.72198494    -12.41506943
  H     16.26780755     12.26806006    -17.54238215
  O     13.17187102      5.41242552    -15.74651781
  H     15.84309674     11.80978167    -12.62911946
  H     16.34537676     11.42301016    -16.24981152
  O     14.71119692      9.90390030     -9.09207778
  H     16.98073063     11.67966106    -11.60486211
  H     14.56160509      8.61537418    -15.08626101
  O     14.26957199      7.00921264    -11.23560710
  H     17.20737434     11.24057091    -14.06595326
  H     15.55197785      8.12170608    -13.98718133
  O     14.18239170     11.13078870    -13.13657359
  H     16.54364917     10.02383783    -14.76728959
  H     11.14259606      9.14130739    -13.81153657
  O     17.54885071      7.23537544    -17.13063839
  H     12.58669874      4.71020201    -16.01648265
  H      9.95841933      8.68235848    -12.92920409
  O     15.71438555      7.21753262     -8.85519394
  H     12.90936874      5.66452113    -14.84216881
  H     17.73819161      9.26169722    -10.05427828
  O     18.89353292      8.52924032    -14.98036046
  H     14.00412472      9.83724552     -9.74723308
  H     18.27052951      8.07403444    -10.90057000
  O     16.00678915      5.55323837    -15.68486470
  H     14.95158305      8.99657895     -8.86740140
  H     11.86227500      7.01885320    -13.21453797
  O     18.87438476      7.37272210    -12.53638587
  H     13.86641928      7.88837173    -11.27250285
  H     13.06573920      6.33640013    -12.54138383
  O     15.75728080     11.69282952    -16.97747705
  H     14.69740757      6.94211317    -10.37300409
  H     16.20426499     10.70283551     -9.56785037
  O     15.18396529      8.90793732    -14.40901457
  H     13.81788641     11.63785306    -13.86998891
  H     17.38333883     11.60635892     -9.14371112
  O     10.90875022      8.65359538    -13.00119537
  H     14.51664105     10.30763754    -13.52965699
  H     16.22571093      8.45886047    -17.72430455
  O     17.87696198      8.30595673    -10.05148097
  H     18.01227320      6.73109285    -17.79492829
  H     15.59523541      9.87699038    -17.72854921
  O     12.44696512      6.25366491    -13.27735660
  H     16.99033604      6.60317356    -16.64250245
  H     12.17043958      9.22570942    -11.73700596
  O     17.08343305     11.02346470     -9.83697559
  H     16.53651359      7.54896556     -9.26200406
  H     13.38025235     10.17031735    -11.85841989
  O     15.44939184      8.96413037    -17.99973086
  H     15.96904196      6.69591016     -8.09963683
  H     13.05923949     13.10639119    -15.87215401
  O     12.97372076      9.50639442    -11.28180777
  H     18.47359325      9.39967568    -14.96870149
  H     14.14311458     12.04210989    -16.13566392
  O     13.34505023     12.23156005    -15.61858711
  H     18.50397296      8.06359452    -15.73074681
  H     13.30652298      7.17143481    -16.34308460
  O     13.38412345      8.12896554    -16.42526473
  H     15.06141163      5.39516112    -15.78771279
  H     14.04263632      8.33854724    -17.10443355
          69
 Energy    -248.77043296998593     
  O     16.99108054     11.54821685    -17.10858839
  H     17.09848155     10.69311382    -16.66243472
  H     17.61704400      6.25725644    -16.76071392
  O     16.47496321      5.56948958    -13.96795703
  H     16.04375067     11.72790637    -17.16407532
  H     18.78987764      7.26105282    -12.47031919
  O     16.75159555     12.72834779    -11.56478570
  H     16.23966530      4.64820035    -13.88818028
  H     18.20971991      6.13718929    -13.35889196
  O     20.93236698      9.82759861    -15.53651611
  H     16.48055602      5.76789163    -14.92062890
  H     17.99562289      9.52427806    -15.00296658
  O     15.66090111      7.82237527    -18.69176355
  H     15.78672460     12.68599107    -11.58289419
  H     17.93942507      8.42882730    -16.10052413
  O     14.71972053      9.75546038    -10.59525627
  H     17.03556263     12.82205906    -12.48079063
  H     13.70299859     12.85075196    -17.24015125
  O     15.63650402      7.70151093    -12.31980392
  H     21.09763990      8.92675048    -15.22766034
  H     14.19560506     12.05470719    -16.00761321
  O     17.18242469     12.52554725    -14.43002329
  H     20.73717306      9.75032960    -16.47772928
  H     17.95599299      9.38233006    -10.98744110
  O     21.06307166      7.08024648    -14.71376314
  H     15.21412597      7.43294572    -19.43985071
  H     18.46548972      9.41015386    -12.44791388
  O     14.92675387      9.03998555    -14.63680935
  H     14.98959429      8.33073834    -18.20349264
  H     13.86410545     10.20143209    -17.28106967
  O     19.20431576      7.12581475    -16.81081920
  H     14.87449004      8.96397078    -11.12631120
  H     14.08222526      9.04398583    -16.29368125
  O     16.67539380      6.06466313    -16.63938768
  H     15.57040735      9.98253333    -10.19798790
  H     17.20627490     11.45310033    -10.43591141
  O     19.03536755      6.51952154    -13.04040622
  H     15.81806412      6.89181543    -12.81397744
  H     17.69331074     11.03928305     -9.02672451
  O     17.44366126      9.15289629    -15.70449717
  H     16.50045174      8.09839150    -12.12976527
  H     18.46790199     11.27080139    -13.95541148
  O     14.19134022     12.07395869    -16.98028165
  H     17.32838725     12.45017240    -15.38104606
  H     19.72285163     10.39767441    -14.36028253
  O     18.12904197      8.82277642    -11.75298481
  H     16.25822536     12.26150650    -14.31184114
  H     13.22167982     12.49821200    -11.08313555
  O     13.88025553      9.23941162    -17.21950833
  H     21.81755180      6.53763817    -14.50204576
  H     14.13348425     11.25616858    -11.23684540
  O     17.31777265     10.69636528     -9.83303597
  H     20.37188387      6.86557657    -14.06095767
  H     19.40491472      9.45036402    -18.66332038
  O     18.95763856     10.46013193    -13.76781208
  H     15.01945328      8.56444395    -13.80305598
  H     20.89728132      9.31392760    -19.03925961
  O     13.93407527     12.13720387    -11.60321896
  H     15.80074823      9.01456726    -15.05700146
  H     14.17396287     11.91138188    -13.39778088
  O     20.28501343      9.22205356    -18.31428109
  H     19.85654218      7.00125134    -16.10959899
  H     14.60022179     10.75429388    -14.35321586
  O     14.48643618     11.71585643    -14.28889635
  H     19.60041550      7.74495181    -17.43730295
  H     17.07828945      9.07476080    -19.01714694
  O     17.76119007      9.74787018    -19.12779245
  H     16.22823095      6.59644999    -17.30679054
  H     17.48619185     10.50389273    -18.59213786
          69
 Energy    -248.76994614078649     
  O     13.17671648     12.61559058    -13.76732122
  H     12.77050866     11.91229409    -14.28786968
  H     15.36761352      7.25576601    -16.07603441
  O     17.91398013      6.96149825    -14.35840586
  H     13.66738306     13.15055114    -14.40220793
  H     17.79823666     11.15968002    -15.29880229
  O     19.44244266     11.04967020    -12.57312915
  H     17.25350293      6.28782078    -14.15217565
  H     16.66610891     10.40776177    -14.52749627
  O     17.00965975     14.19505328    -14.16954661
  H     17.69135552      7.29341316    -15.23518589
  H     14.26700708      8.84610956    -18.41824351
  O     15.78081758      5.15181848    -13.78627444
  H     19.33022890     10.09763179    -12.48196765
  H     15.01874476      9.09818307    -19.74713096
  O     15.85807007     10.77608245     -9.49518819
  H     19.04895202     11.45676434    -11.78732073
  H     15.46093599     10.90956738    -12.58105710
  O     14.63137269      6.69828581    -11.89182264
  H     17.72409162     13.61602308    -14.46241405
  H     16.12326854      9.51892933    -12.36041806
  O     14.71885960     12.23222077    -11.54454402
  H     16.27893376     14.08943649    -14.79019844
  H     13.37899501     10.74028513    -16.01039114
  O     12.91913490      8.28037586    -17.46883975
  H     15.36452130      5.63634382    -13.05017166
  H     12.83565111      9.79458589    -14.89986820
  O     16.58083310      8.45620508    -10.92593613
  H     15.73915478      4.22533387    -13.56715845
  H     19.82789208      7.74345033    -12.00690225
  O     16.80454428      8.17382242    -16.73651211
  H     15.37430915     10.83741754     -8.67513315
  H     18.66574143      7.79956897    -13.02405081
  O     14.58369293      6.80539934    -15.72902678
  H     15.34157144     11.26285666    -10.16006306
  H     16.51347092     15.25454620    -11.26540349
  O     17.05425188     10.55584243    -15.40350770
  H     14.07980637      7.31319579    -12.39146893
  H     16.74848105     14.33209665    -12.48655757
  O     15.08557544      9.20980809    -18.80289072
  H     15.29459265      7.24080034    -11.44271526
  H     19.26126308     11.91605961    -14.01316454
  O     15.79743750     10.12672797    -13.03594097
  H     15.29547672     13.00790250    -11.52267721
  H     19.92090623     12.58450842    -15.24648888
  O     12.57114484     10.44745989    -15.56617623
  H     14.06094743     12.38117511    -12.24084416
  H     17.47468259     11.72927812     -9.98222222
  O     19.04345551      8.23463691    -12.23886026
  H     13.33079758      7.62617587    -16.88718622
  H     17.70544207     13.03013814    -10.76403300
  O     16.56145168     14.34019713    -11.52991171
  H     12.56196329      8.96695791    -16.89278501
  H     15.69120545     11.10064622    -16.38226784
  O     19.07773145     12.37543457    -14.85522673
  H     17.50705644      8.40481910    -11.19698900
  H     14.96551158     10.74489120    -17.69874672
  O     18.15408928     12.24014247    -10.43617564
  H     16.46232063      9.19427369    -10.31444856
  H     14.36635397     14.48852096    -16.46048598
  O     14.93422279     11.33873221    -16.94024050
  H     16.97461002      9.00217259    -16.26113329
  H     14.78652249     13.00640916    -16.34437124
  O     14.74247130     13.84823472    -15.86099642
  H     16.37501629      8.43257288    -17.56038778
  H     13.93529779      7.95378131    -14.46416433
  O     13.61615019      8.57782521    -13.79614472
  H     14.90723753      6.09629349    -15.16068175
  H     14.36742508      9.13949125    -13.55537562
          69
 Energy    -248.76936581227977     
  O      4.47671677      2.96853928      5.64858803
  H      4.93286879      2.34235575      5.05910708
  H      4.60518474      4.45928903      4.39085525
  O      2.14021941      1.88641539     -1.00184594
  H      4.90351048      2.90490513      6.49881187
  H      1.47591365      0.46433968      2.75801508
  O     -0.11133263      3.39515512     -1.63324087
  H      1.44208393      2.44440050     -1.36433260
  H      1.93286517      1.07847182      4.09994949
  O     -0.60855197     -0.53542060      4.56646946
  H      2.15657283      1.04118641     -1.47614363
  H      3.50385717      2.12990263      0.08019003
  O     -2.05796931     -1.53275321      2.57270699
  H     -0.39293061      3.96553477     -2.34325957
  H      4.12194067      1.31115337      1.25600124
  O      2.86601077     -2.24862680      0.39200984
  H     -0.70550555      2.62275853     -1.63723169
  H     -2.78164520      4.05580280      2.86848314
  O      0.12834750     -1.87296255      0.83520377
  H      0.32712231     -0.48667383      4.33703631
  H     -1.42979677      3.69953660      2.20296534
  O      2.43191567      3.97851866      2.26451854
  H     -0.84143248      0.36592389      4.83664858
  H     -0.19513689      1.04630292      1.17812666
  O     -0.14214358      4.15726310      1.16512693
  H     -1.55754613     -1.21041997      3.34719419
  H      1.18106165      1.20798532      0.44198210
  O      5.76264368      1.37693268      3.83759104
  H     -2.78733890     -2.04427206      2.91045450
  H     -1.31417514      0.29077120     -1.70447345
  O      6.29890902      3.40210562      1.88936082
  H      1.92546980     -2.26018327      0.63045116
  H     -1.93264636      1.11630689     -0.55777288
  O      4.62526531      5.00354218      3.59388114
  H      3.15111154     -3.16012603      0.37387656
  H      3.40912494     -0.16885380      2.75265428
  O      1.92222965      0.25493160      3.59364268
  H      0.39994625     -0.94270149      0.91198214
  H      3.86272823     -0.99139568      1.52871732
  O      4.10074440      2.18379106      0.83974703
  H     -0.62131258     -1.96846623      1.43506051
  H      2.52427335     -1.22249807     -1.25740294
  O     -2.15200694      3.34869326      2.75670406
  H      3.09688554      4.52914327      2.70354981
  H      1.24268875     -0.97759272     -2.07810761
  O      0.72849063      0.76373156      1.16811252
  H      2.93319213      3.31765568      1.77023339
  H     -2.19208826      0.18914185      1.75571073
  O     -1.63616776      1.17004333     -1.47808954
  H     -0.09092096      3.98797654      0.21868026
  H     -2.23164648      1.75730150      1.84493149
  O      4.14682873     -0.29900819      2.13395519
  H      0.76198040      4.16659691      1.50850799
  H     -1.04609058     -2.23485552     -2.20803519
  O      2.15111672     -0.67396732     -1.95758840
  H      5.34583136      0.68413569      3.31171381
  H     -0.40980681     -1.72210648     -0.89501463
  O     -2.06981126      1.00641173      1.25811585
  H      6.10390517      2.02338438      3.20592875
  H     -1.35810759      2.61336632      4.33101861
  O     -0.58148153     -1.49532875     -1.82346935
  H      5.54365217      3.02157968      1.40694350
  H     -0.00761455      2.46268368      5.06119473
  O     -0.92496055      2.15755100      5.06202471
  H      6.97721963      3.57836931      1.24292567
  H      1.93657827      3.22482019      3.87777925
  O      1.82793665      2.78566489      4.73327348
  H      5.30097884      4.60466901      3.03062390
  H      2.67242673      2.87632021      5.19252208
          69
 Energy    -248.76903471955316     
  O     12.01093067      6.58488251    -15.20307456
  H     11.74643787      7.41434861    -14.79018529
  H     11.88360869      8.20471713     -9.86504899
  O     10.58474284      8.45773570    -11.15649077
  H     12.96487864      6.64196166    -15.35015439
  H     12.65305683      3.77196263    -12.99727288
  O     16.98175749      6.06196669    -11.43296381
  H     10.85245296      8.79279806    -12.02106773
  H     13.13221415      3.27060771    -11.59449099
  O     12.53737897      2.85563355     -9.98579027
  H     10.23288749      7.57743533    -11.33739416
  H     13.39492838      5.42306722    -11.65885893
  O     15.14151675      8.74407132     -8.95611267
  H     17.90088652      5.99205393    -11.71942122
  H     13.16570677      6.62334394    -10.64132559
  O     17.39621082      7.64453546    -15.95526216
  H     16.74749469      6.99981098    -11.48622269
  H     12.51431542      9.00168686    -13.54572149
  O     15.71020773      4.73769511    -13.53506964
  H     13.09068119      3.17126012     -9.25967256
  H     11.51441540      9.96178168    -14.22932365
  O     10.04999280      4.21507961     -9.53897478
  H     11.65072681      3.19033499     -9.80586304
  H     20.35971870      5.70518177    -12.59751798
  O     18.29247316      8.54332004    -13.54634830
  H     14.19694081      8.52796627     -9.05920330
  H     19.10741876      5.64109292    -13.50660372
  O     14.03200287      4.04516506     -7.88640018
  H     15.20733354      9.33287670     -8.20882147
  H     13.76696361      7.66034132    -12.55167296
  O     11.75780849      5.75091405     -7.85069664
  H     17.70506879      8.03944557    -15.12005068
  H     14.43807219      7.91351865    -13.92225123
  O     12.59765871      7.90658004     -9.28489990
  H     17.79146219      8.14937138    -16.66075956
  H     16.14030208      5.81539095     -9.81058928
  O     13.42116050      3.69139576    -12.41872585
  H     14.96355183      4.22365356    -13.20020598
  H     15.53074220      6.85746561     -8.85602264
  O     13.17243420      6.35732098    -11.56846952
  H     16.10915985      5.17844059    -12.77093190
  H     15.98818823      8.89204294    -10.62687463
  O     11.57899972      9.11999653    -13.78418169
  H      9.13520170      3.96298884     -9.44399187
  H     15.53533774      8.76551678    -12.10445615
  O     19.48395294      6.06256139    -12.71272649
  H     10.11306823      4.74550916    -10.35103019
  H     17.94960091      5.86321080    -15.39893428
  O     14.11980216      8.36099567    -13.12613230
  H     18.82323789      7.81173172    -13.20689557
  H     17.32426869      4.77186906    -14.50911061
  O     15.63204630      5.90922913     -8.99426099
  H     17.68619270      8.78631037    -12.83482421
  H     15.09602460      5.99966343    -14.67909754
  O     16.31462503      8.78280602    -11.52853833
  H     14.50660597      3.61718724     -7.17892567
  H     15.65366520      7.08652223    -15.63350267
  O     18.16445907      5.08091658    -14.87618412
  H     14.64221902      4.69455147     -8.27991024
  H     11.46586503      5.07676917    -14.55395780
  O     14.83967070      6.74556698    -15.24310793
  H     12.51394667      5.15997296     -7.74154036
  H     10.78343792      3.70737691    -14.78595296
  O     11.17410920      4.25774087    -14.11293055
  H     11.09105496      5.23905592     -8.32470397
  H     11.36170582      6.02538259    -11.72101232
  O     10.45523153      5.69399158    -11.81390221
  H     12.24791255      7.22378258     -8.69235437
  H     10.46909357      5.16623598    -12.62131072
          69
 Energy    -248.76897399230370     
  O     13.94447981      5.21742213    -17.23338270
  H     13.76601761      4.83748601    -18.09001579
  H     14.96141442      7.20250532    -11.18315558
  O     13.68437242      6.15672412    -11.88192149
  H     13.65361245      6.14517370    -17.27941593
  H     14.46969934      7.81745099    -14.50271313
  O     17.71886445      6.02719921    -10.59556083
  H     12.78460674      6.06360196    -11.54844930
  H     13.71857240      8.86404584    -13.62656899
  O     12.59151662      4.13784675    -14.92125793
  H     13.63406869      6.75210548    -12.64807097
  H     15.25920085     10.39833194    -16.02982076
  O     10.92964769     10.40898741    -13.46567269
  H     18.37299795      6.41272344    -11.19103240
  H     15.53011543      8.94179154    -16.35078462
  O     13.07659130      7.79361476    -17.31834774
  H     17.00228410      6.67228167    -10.53680202
  H     10.38109909      5.58889510    -10.75558372
  O     19.36266318      7.04553243    -12.73710311
  H     13.32073126      3.91705819    -14.33004643
  H     10.75704902      5.98517722    -12.20501105
  O     11.24751068      8.13431015    -15.18113408
  H     12.99522550      4.47309777    -15.73060549
  H     11.04014796      9.35962321    -11.81803626
  O     17.22571060      3.57574179    -11.67998794
  H     10.48579321     11.24511576    -13.58605415
  H     11.15900251      8.00125475    -11.07877302
  O     18.47249702      4.79988577    -13.95280691
  H     11.87872475     10.60565096    -13.39356446
  H     15.61756184      3.73015028    -12.63618851
  O     16.12264929      4.86789923    -15.49936964
  H     12.31010452      7.96359179    -16.75717415
  H     14.44357846      4.73539627    -12.67424839
  O     15.59646080      7.87442964    -10.89187392
  H     13.67485522      8.54335687    -17.19747506
  H     10.63605302      6.52437737    -14.40911036
  O     13.70626623      7.94640353    -13.92512409
  H     20.31254776      7.09335725    -12.80055609
  H     11.22778622      5.10444736    -14.24679712
  O     15.04411653      9.71813871    -16.67126946
  H     19.08707234      6.25807867    -13.24135494
  H     13.67179788     10.47507546     -9.51498752
  O     10.94759402      6.16195910    -11.26390516
  H     10.94034841      8.93027134    -14.73413160
  H     12.89090690      9.54522135    -10.47625745
  O     11.36503796      8.94235165    -11.01192769
  H     12.11686592      7.94969647    -14.78925586
  H     16.22215971      6.65463268    -15.34939355
  O     14.86718691      4.01857458    -13.16931717
  H     17.51817713      2.88310293    -11.09367754
  H     16.60329612      7.91148691    -14.49211038
  O     10.58530892      5.72510018    -13.87120711
  H     17.36474844      4.41821253    -11.21197222
  H     14.49520705     10.92027876    -13.41596276
  O     13.76368353      9.94541546    -10.30241917
  H     18.12999184      4.25428320    -13.23350442
  H     13.78868406     10.51071565    -12.08170558
  O     16.12625123      7.61242899    -15.27573218
  H     17.79295579      4.78384534    -14.63909012
  H     16.80355105     11.76128085    -14.25316877
  O     13.65516062     10.63794871    -13.03062024
  H     15.45480142      4.91605052    -16.19598772
  H     16.59978127     10.31555163    -13.75607622
  O     16.14445728     11.07958723    -14.14730062
  H     15.67000193      4.54969207    -14.70353613
  H     18.04224757      8.30178712    -12.90114534
  O     17.21566279      8.79614339    -12.97954659
  H     15.06598806      8.60900847    -10.56265129
  H     16.63931117      8.49967088    -12.26056260
          69
 Energy    -248.76891658448764     
  O     12.21289002     11.29855346    -15.34748636
  H     12.81692504     10.78538496    -15.90445147
  H     16.63001750     12.25640470    -15.72465269
  O     16.33963344      6.90595286    -13.85549496
  H     12.73570225     11.99563141    -14.93737434
  H     14.90796100      9.53727854    -15.07102762
  O     16.73751965     10.27917222    -10.88012077
  H     16.91512157      7.16102763    -13.11907157
  H     15.76877403      8.61035965    -14.15374028
  O     17.72559649     10.89034004    -15.13052236
  H     15.46639058      6.70171758    -13.49191222
  H     11.30407176     10.08910031    -14.51130327
  O     13.32601916      8.06669539     -9.39221996
  H     15.96096998     10.65249830    -11.32008419
  H      9.95237276      9.41872825    -14.16323783
  O     13.82587510      6.65912979    -12.78752272
  H     16.43869340      9.96561244    -10.01698870
  H     16.39105062      7.39122027     -9.11617427
  O     14.53629672     11.11439875    -12.35327575
  H     18.17310767     11.14613613    -14.30869978
  H     17.14302776      6.89590836    -10.35920084
  O     17.55695018      6.86238668    -16.29694548
  H     16.94492690     10.38518472    -14.85182669
  H     11.96803748      7.98144989    -14.94528777
  O     14.22071033      5.47116034    -10.27638322
  H     12.98002105      8.46561702    -10.20264234
  H     13.06387443      6.98573050    -14.55300268
  O     19.52016438      8.66616350    -15.28435864
  H     13.48367764      7.13882144     -9.60352171
  H     18.15711972     11.01583494    -11.95045100
  O     20.34621110      8.72237352    -12.70773990
  H     13.47428916      7.51596715    -12.50569245
  H     19.45626506     10.45797976    -12.55726753
  O     15.88944195     12.81129002    -16.00953856
  H     13.90086601      6.12521589    -11.98657655
  H     18.76296616      8.06956288    -12.02002519
  O     15.49933792      9.52362554    -14.30649690
  H     14.30498213     11.93756346    -12.79773026
  H     17.44307242      8.71048800    -11.51161619
  O     10.89530160      9.33089866    -14.05507669
  H     14.88490981     10.52943669    -13.04780893
  H     14.80252438      8.78995787     -8.80986595
  O     16.60279513      6.59368806     -9.61698353
  H     17.58747510      5.98372290    -16.66664593
  H     15.61719827      9.39443677     -7.64154501
  O     12.67924294      7.43989207    -15.31176518
  H     17.09629515      6.79246001    -15.44307610
  H     16.90906627      8.41567742    -17.17092638
  O     18.82086335     11.18014846    -12.63274063
  H     15.10976640      5.79462736    -10.04320828
  H     17.10293448      9.91407507    -16.92517654
  O     17.85035677      7.87238666    -11.77578834
  H     14.12612690      4.61134779     -9.87596732
  H     11.97934621      9.17684882    -12.56559216
  O     15.68857301      9.09654231     -8.54440593
  H     18.99240888      9.47377523    -15.32799058
  H     13.26408327      9.84933993    -12.00503688
  O     16.58749037      9.28692526    -17.44065826
  H     18.97712046      7.97548566    -15.68210672
  H     13.79842619     14.16938559    -14.02308149
  O     12.68481876      9.08040577    -11.91355679
  H     20.13756103      8.64581241    -13.65645754
  H     14.66410185     13.13770049    -14.78027847
  O     13.95716361     13.23376532    -14.11904324
  H     21.27902267      8.55140033    -12.61378825
  H     13.54796761      8.67671316    -16.33363211
  O     13.94248836      9.52035544    -16.60678994
  H     15.70726219     12.56298477    -16.91442150
  H     14.77891577      9.35773420    -17.06348297
          69
 Energy    -248.76887329047537     
  O     10.75758886      8.42937883    -11.68236000
  H     11.19527507      9.20033838    -12.06659703
  H     15.80330700      6.77013972    -10.46518040
  O     16.55546004      9.78625325    -10.33451914
  H     10.76091024      7.73614523    -12.35333491
  H     14.56742055      3.21260759    -14.11463953
  O     15.61621142      5.91514742    -14.75805185
  H     16.95792102     10.46764649     -9.80264080
  H     14.90793015      3.53005388    -12.64448877
  O     16.83757191      9.46944582    -13.16518930
  H     15.59225786      9.91637052    -10.27487729
  H     13.89726142      8.23986258    -13.54738203
  O     14.30647496      9.91648573    -14.10167743
  H     15.49102193      5.02284936    -14.40940289
  H     14.36670160      6.79367548    -13.83738761
  O     13.85908288     10.09536047    -10.21027271
  H     16.36807496      6.29150968    -14.28069133
  H     11.54389931      8.12539942    -10.16636078
  O     12.92423416      3.20448758    -14.86988384
  H     17.25386827      8.60689670    -13.27475286
  H     11.52297965      7.91945383     -8.63033580
  O     15.63965003      2.68634334     -9.31365697
  H     16.81851536      9.63731998    -12.21427441
  H     14.58561561      9.86258992    -17.58817460
  O     12.27823233     10.71184840    -12.51129402
  H     15.23315088      9.83912404    -13.82971015
  H     14.10866953      8.57425484    -16.89732685
  O     17.99196236      3.85950969    -12.99433629
  H     14.25984563      9.85194010    -15.06678188
  H     13.23362718      6.35876709    -16.73561056
  O     17.65493327      4.31670026    -10.17234121
  H     13.34453299     10.41129065    -10.96282785
  H     14.70030179      6.46628991    -16.27497407
  O     16.74787894      6.98285154    -10.44265745
  H     13.30987229      9.42415305     -9.78855473
  H     17.35821163      6.81808762    -12.15880518
  O     15.30288485      3.42674855    -13.52130231
  H     12.36897481      3.24571994    -14.08087865
  H     17.99098175      5.79096662    -13.11250681
  O     13.75662042      7.31745602    -13.30079028
  H     12.57521029      3.88524971    -15.45664357
  H     10.86095892      5.45747161    -16.67475393
  O     12.10560328      7.99152380     -9.38081999
  H     16.40351154      3.24119575     -9.54950134
  H     11.41225150      5.81376665    -15.27781525
  O     14.15882656      9.54063092    -16.79877171
  H     15.92907002      2.12683615     -8.59904390
  H     13.39298355      6.93465588    -10.15137526
  O     14.06363765      6.81612782    -16.91299716
  H     11.92758478     11.55595057    -12.78367049
  H     13.94851999      6.83937822    -11.60301343
  O     17.67467103      6.70154290    -13.06724920
  H     12.99603636     10.49425052    -13.13198785
  H     11.25687452      5.42534795    -13.07886091
  O     11.65719222      5.46162051    -16.14854203
  H     17.07843124      3.61208152    -13.21387725
  H     12.12989369      6.65948610    -13.45410457
  O     14.04278411      6.48581403    -10.70518718
  H     18.55744816      3.23346158    -13.44003289
  H     12.34455234      3.66718892    -11.88601568
  O     11.23678648      6.28326532    -13.52295572
  H     17.87415128      4.11975149    -11.09075136
  H     10.90383647      3.11217498    -11.95853829
  O     11.52044274      3.68856429    -12.40276192
  H     17.44209414      5.25884148    -10.14353754
  H     13.96868611      4.72506901    -10.90465884
  O     13.91385689      3.77955172    -11.10681022
  H     16.80106644      7.93348047    -10.28649664
  H     14.43652789      3.30981935    -10.44110956
          69
 Energy    -248.76809595982382     
  O     -2.71301388      4.96300253      3.75850035
  H     -2.63238424      4.62230226      2.85097340
  H     -4.20011496     -3.53671935      0.49421474
  O     -0.23966382      2.29300299      0.36619198
  H     -2.60715807      5.90959700      3.70581514
  H     -1.32292148      4.03733147     -2.24190788
  O     -1.32193823     -0.34291845      2.59638430
  H      0.19374995      2.18460512      1.22176002
  H     -0.69467101      2.94546820     -1.36633579
  O     -5.97585772      1.40501947      1.67796137
  H     -0.49229215      1.39957143      0.08835722
  H     -4.25391179      2.76952411      5.45343352
  O     -4.14055154     -1.48629302     -2.03018016
  H     -0.54888318      0.18769558      2.81948468
  H     -4.18042348      4.09182514      4.67465660
  O     -1.17790255     -0.28523678     -0.15951564
  H     -2.07680702      0.26994987      2.60085528
  H     -6.23126961      2.75415440      4.51699306
  O     -4.15813200     -1.34184815      5.79422812
  H     -6.42516849      1.74146591      2.46428101
  H     -7.77352484      2.73355837      4.40341907
  O     -6.47883653     -0.52098277      4.67960733
  H     -5.99401738      0.43834137      1.72253015
  H     -1.67900080      3.32612428      0.94822726
  O     -0.95106870      2.93348465      4.76425355
  H     -3.30254974     -1.95220741     -1.92007977
  H     -3.21112626      3.57999107      0.73858054
  O     -3.06611081      1.09193240     -1.70221418
  H     -3.91841641     -0.54643985     -2.05587812
  H     -5.18063760      2.47030424      0.35923754
  O     -5.74169910     -1.32138909      2.07689512
  H     -1.24186636     -0.42140270      0.79597239
  H     -4.14437688      2.28715342     -0.77081981
  O     -3.31038913     -3.71249665      0.82535657
  H     -1.23553237     -1.15738179     -0.56861079
  H     -3.52754465     -2.02442919      4.14102085
  O     -1.16597874      3.09584072     -2.19865692
  H     -5.03327917     -1.05371435      5.47513505
  H     -2.51400732     -1.63991230      3.03727565
  O     -4.79193330      3.51006409      5.14053614
  H     -4.30681298     -1.84464845      6.59059042
  H      0.11953609      2.16156099      3.64479563
  O     -6.98639355      2.25280157      4.16156875
  H     -6.70652750      0.41239068      4.59350247
  H      1.53978852      1.62599568      3.34951494
  O     -2.45927449      3.74470449      1.33174334
  H     -6.40848627     -0.86573781      3.77894342
  H     -3.25326811      1.33744160      4.45523922
  O     -4.55232690      2.94978500     -0.19659532
  H     -1.58852577      2.32585199      5.16375138
  H     -3.38201781      0.39124571      5.67113647
  O     -3.29688082     -2.17988052      3.21700593
  H     -1.46032100      3.71023255      4.50421435
  H     -5.26128762     -2.25960573     -0.95066819
  O      0.65542292      1.67086013      2.99568230
  H     -2.49265760      1.77137667     -2.08180316
  H     -6.45830861     -3.22677666     -0.78897339
  O     -3.12101428      1.28218423      5.41557493
  H     -2.49810054      0.58849634     -1.10134534
  H     -2.22955079     -3.19775997     -0.44615405
  O     -5.78079617     -2.76698852     -0.30095739
  H     -5.87424556     -1.82155258      1.26190342
  H     -1.23906582     -3.53875912     -1.58682857
  O     -1.72639800     -2.82163674     -1.19092713
  H     -4.87671091     -1.58033190      2.42359419
  H     -2.99788169      2.24476314      2.25978295
  O     -3.36496374      1.44507808      2.65672539
  H     -3.27139697     -3.32914385      1.71075540
  H     -4.26698896      1.37005300      2.32334743
          69
 Energy    -248.76784493242224     
  O      4.14418134      5.29809884      3.83837837
  H      3.99607804      4.37757534      3.58760589
  H     -0.91791891      6.32841200     -0.24797919
  O     -0.03249355     10.17638005      4.02139563
  H      4.11872247      5.79344570      3.01162879
  H     -0.31672336      4.45285603      0.58928961
  O      0.61018430     10.03087250      1.30297923
  H     -0.19913154     10.91737956      4.59738294
  H     -0.01492228      3.50537485     -0.57110518
  O     -1.67887089      7.86410796      3.90409902
  H      0.81408013      9.78264458      4.30671577
  H      0.33812770      7.06066386     -2.19500589
  O      2.97515351      4.03633302      0.33852243
  H      0.27966602     10.18451877      2.19768373
  H     -0.61640674      5.85589211     -2.21407667
  O      4.18168306      9.08090304      2.66903649
  H     -0.13131624      9.81974412      0.71601880
  H     -2.07125005      8.74852978      0.26739017
  O      2.06906682      7.33232787     -2.78259547
  H     -1.16106290      8.67216374      4.00890016
  H     -1.22885722      8.48743764     -0.99911138
  O      3.69726285      6.55422522      1.29372172
  H     -1.07591512      7.13327331      4.09192333
  H      2.79939732      4.34000524     -1.53995444
  O      0.41087886      5.95608535      4.10611598
  H      3.29386440      3.50216389      1.07646247
  H      2.43619763      5.47569690     -2.53447520
  O     -0.23066637      3.96710777     -2.46540101
  H      2.01045129      3.95115363      0.35734105
  H      3.22343069      6.02151280      5.12606065
  O      0.80954296      3.30846692      3.11401790
  H      3.94391814      9.71194103      1.97814429
  H      2.94449826      6.18583835      6.63912741
  O     -1.06558966      6.03382906      0.66393574
  H      4.25345308      8.22772514      2.22818463
  H      2.41746441      8.21911112      5.16317358
  O      0.17228026      3.64575679      0.36338144
  H      2.30309533      7.71928273     -3.62242552
  H      3.00363500      9.11049560      4.04549555
  O     -0.54763804      6.77674158     -1.92879519
  H      2.65566170      7.73405668     -2.11737514
  H      3.21297672     11.63125455      0.39096675
  O     -1.42218452      9.14895767     -0.32651471
  H      2.79424600      6.85521807      1.49309723
  H      2.21083817     10.52293576      0.79655966
  O      2.42077336      4.51817110     -2.41031933
  H      3.59033936      5.68173315      0.89139615
  H      0.37680526      6.86039110      1.35096178
  O      2.62316465      6.43004257      5.77570680
  H      0.73465606      6.45787521      3.34328018
  H      1.01016791      8.24679707      1.64471570
  O      2.30100670      9.06101702      4.70981791
  H      1.07347540      6.07157483      4.79899735
  H      2.48758598      2.89710114      2.99879441
  O      3.13763359     10.69503549      0.55430643
  H      0.73352549      4.09918207     -2.52370507
  H      3.62954970      1.85438578      3.09337742
  O      1.13387938      7.29778421      1.76351500
  H     -0.46941356      3.37057150     -3.16973121
  H      3.55590639      9.20532258     -0.48806516
  O      3.43627845      2.74865805      2.82663955
  H      0.45869552      3.29401401      2.21457458
  H      3.82683117      7.71351251     -0.19136541
  O      3.68915466      8.34617905     -0.90711915
  H      0.58600608      4.17068811      3.48844998
  H     -2.60860358      7.82162969      2.45976222
  O     -3.04382157      7.75731063      1.58956119
  H     -1.83502584      6.50716579      1.00084103
  H     -3.98076780      7.69732003      1.75252657
          69
 Energy    -248.76775038461784     
  O     -0.00249822      7.24724185     15.67423872
  H      0.47301604      7.36499107     14.84312198
  H     -0.48114877      4.28493845     19.11295999
  O     -2.13013980      4.96753606     18.74046111
  H      0.52169633      6.61514141     16.19408279
  H      1.33616987      8.96020735     18.56177548
  O      4.49445726      4.68505386     19.26015536
  H     -2.04691529      5.09856043     17.78411092
  H      1.89288788      8.39905574     19.88286332
  O      2.12493822      4.83290574     20.94641465
  H     -2.64613416      4.15996197     18.85594744
  H      1.14867242      4.99096862     17.83162910
  O      1.02981921      1.96748702     17.30579278
  H      4.31182924      5.50796025     18.77238699
  H      2.25402962      6.05051155     17.50003555
  O     -3.45479860      2.49115415     18.57890095
  H      5.33012483      4.81538880     19.70269430
  H      1.57012231      6.22332441     13.34621679
  O     -0.27656859      3.04351343     15.04371678
  H      2.96629232      4.82931169     20.47679670
  H      1.68417816      7.53706490     12.53828429
  O     -1.84334274      5.15399748     15.96866919
  H      1.89767012      5.75533322     21.12495025
  H      2.65271861      4.61992054     15.98051027
  O      1.52248620      4.48446361     13.42618503
  H      0.75849954      2.60214016     17.99024533
  H      3.70313289      3.50387974     16.05918413
  O      3.81141526      6.93670866     17.92088505
  H      1.99063877      1.95402852     17.34435384
  H      4.06835101      3.18121021     18.24875822
  O     -1.11411769      7.32583805     19.89222021
  H     -3.71475407      2.72452931     17.66906623
  H      4.53342837      1.76430223     17.85830777
  O      0.40185704      3.89846718     19.07314671
  H     -4.23553472      2.15285372     19.00996899
  H     -2.47140475      0.31634548     14.33721014
  O      2.15695829      8.77565759     19.03328526
  H     -0.93576625      2.37639361     14.81466759
  H     -2.05437229      0.84863959     15.73190852
  O      1.53461118      5.52419009     17.12606987
  H      0.24482545      2.68236239     15.77386778
  H     -0.82962522      9.81733323     17.41243901
  O      1.64575506      7.19211596     13.42612236
  H     -1.38091782      5.97372503     15.75874575
  H     -0.28781055      8.45089022     16.93473279
  O      3.37265068      4.19939673     15.48280815
  H     -1.26936874      4.43647418     15.66093415
  H      0.96819503      7.84583186     22.19695294
  O      3.88749099      2.43682029     17.65357339
  H      2.29939062      4.27272898     13.96210174
  H      0.30103092      7.37532712     20.88271817
  O     -2.31662350      1.11612729     14.83159651
  H      0.80357854      3.99093606     13.84154141
  H      3.26339915      7.18785137     14.58629635
  O     -0.39384769      9.02358075     17.71256399
  H      3.96288625      7.09490522     16.97743755
  H      3.99357905      5.97302721     15.16972104
  O      1.15514406      7.45765591     21.34616608
  H      3.32502332      7.68587357     18.29718908
  H     -2.05615604      1.25943540     17.93802304
  O      3.98647639      6.94051940     15.17328384
  H     -1.56901929      6.54348563     19.55604323
  H     -0.60275105      1.00373294     17.45113118
  O     -1.51263576      0.68504425     17.38519815
  H     -0.97764513      7.91404228     19.13894108
  H     -3.34819387      3.98263801     15.87066915
  O     -3.90040805      3.19761043     15.98576564
  H      0.92016490      4.17870415     19.84133854
  H     -3.48970578      2.50206836     15.45633665
          69
 Energy    -248.76751204892810     
  O     18.79800178     10.54096174    -12.54934631
  H     19.43765604     11.17724222    -12.24122714
  H     16.37571222      5.25193146    -17.56788708
  O     14.34442647      6.73228459    -15.03293219
  H     18.55814384      9.98851029    -11.78340286
  H     17.05446707      7.96256867    -13.63595415
  O     13.70128272      7.14604446    -10.30450471
  H     14.99833796      7.15255065    -14.44838395
  H     15.95742838      8.28816430    -12.56519790
  O     17.98752104      6.02339092    -10.76380916
  H     14.86001790      6.23581417    -15.67850708
  H     15.69587794     11.34523182    -13.57046615
  O     17.35902638      8.11858451    -16.65782914
  H     13.58225007      6.60584024    -11.09821893
  H     17.24048318     11.15898765    -13.52252486
  O     11.44996836     10.64164845    -11.96620934
  H     14.40788855      6.75840931     -9.76916474
  H     10.77816090      7.47558516    -11.71346098
  O     13.40518336      9.29547286    -15.34445633
  H     17.24981146      5.58256521    -11.21410812
  H     10.72064918      7.70088093    -13.23285247
  O     15.32600233      9.24395128    -11.13610508
  H     18.71433284      5.98958295    -11.39670194
  H     16.05552275     10.81723250    -15.66148386
  O     17.76957084      4.62333801    -14.41288226
  H     16.79109834      8.89780437    -16.66761357
  H     15.77773961     11.14709840    -17.14639141
  O     10.80770947      9.23305606    -14.39243964
  H     17.95431226      8.22737186    -15.90339089
  H     16.71484897      6.18347148     -9.39886506
  O     15.92648619      5.12296758    -12.36133020
  H     11.36927350      9.97714854    -11.27050771
  H     16.22179918      6.51620774     -7.98723965
  O     16.34291825      5.61985055    -16.68906197
  H     11.08872635     10.23205852    -12.76272492
  H     12.27257791      6.02197285    -12.63291843
  O     16.18658569      7.70851122    -13.30183949
  H     14.10476494      9.72455697    -15.85251856
  H     13.52004116      5.98227028    -13.53454336
  O     16.50535475     11.39948790    -14.09635828
  H     13.64228495      8.35742640    -15.29529939
  H     12.15345642      8.00049549    -10.09176400
  O     10.76541644      7.01123329    -12.55937722
  H     14.71161717      8.57947801    -10.79752877
  H     10.90161832      8.36402252     -9.26255566
  O     15.70824851     10.45263702    -16.49617198
  H     14.82485031      9.85007369    -11.69847539
  H     19.07345989      5.42730393    -13.59002409
  O     15.91559556      6.29573293     -8.86449576
  H     17.32840129      4.89883338    -15.22505981
  H     20.55569713      5.51052382    -13.15270318
  O     13.18861133      5.70839371    -12.66859731
  H     17.07772900      4.57117698    -13.73939707
  H     13.82618070     10.24674663    -13.75952633
  O     11.29318953      8.45157505    -10.12794355
  H     10.17485298      9.43693569    -15.07694085
  H     13.12825108     10.90014611    -12.54804473
  O     19.71105144      5.94412769    -13.06298783
  H     11.68606185      9.28577779    -14.80290963
  H     18.05645968      7.95054264    -10.59270067
  O     13.99081220     10.78204988    -12.97256383
  H     16.07178858      6.02817770    -12.68529560
  H     17.04068423      9.10703480    -10.59427269
  O     17.98953620      8.91118173    -10.55793887
  H     14.96984627      5.01114275    -12.35320301
  H     19.20820389      7.58175486    -13.82024183
  O     18.75946670      8.32467517    -14.24417074
  H     16.72755211      6.51448408    -16.74256183
  H     18.91590976      9.11648878    -13.71309792
          69
 Energy    -248.76739076943170     
  O     12.13546690     11.55143811    -11.36672036
  H     12.99419463     11.60839287    -10.91437234
  H     17.06275838     14.03933391    -16.72365125
  O     20.82108761      8.30694047    -12.25662772
  H     11.48711887     11.92068031    -10.77236142
  H     12.65896605      8.34471179    -13.96961096
  O     17.68268133     11.43006565    -12.36201803
  H     21.71440972      8.23125660    -11.93194425
  H     13.86076809      8.07847620    -14.89298335
  O     16.89725223      7.01858360    -12.41269867
  H     20.86298850      8.82975105    -13.07721283
  H     14.63850080     10.96768086    -13.41704265
  O     14.67987767      7.06421740    -10.81094558
  H     16.84537386     11.04060972    -12.65638078
  H     15.38744196      9.59063232    -13.57931498
  O     19.26864826      6.41529151    -13.76922708
  H     17.45029533     12.23370317    -11.88166815
  H     12.10416933     10.65512018    -16.84279848
  O     13.34007079     12.17352422    -13.88728782
  H     17.39670586      7.71165675    -11.95917189
  H     12.77446671      9.77938520    -15.75579475
  O     17.49797751      9.37457508    -16.23898559
  H     16.10972108      6.85631277    -11.87219435
  H     16.88104391      9.10299023     -9.85355720
  O     18.35882804      9.04656540    -11.10423390
  H     13.87392582      7.47312729    -11.14106243
  H     15.63729015      9.97152191     -9.54881970
  O     15.50283312     11.30135619    -16.84575991
  H     15.08015009      7.71397243    -10.21235773
  H     20.49669032      8.93989364    -15.28579085
  O     19.57796296      7.51603166    -16.22104176
  H     18.40908988      6.42840991    -13.32711646
  H     20.20945776     10.36819606    -14.78036861
  O     16.93000718     13.42906522    -16.00283776
  H     19.86370792      6.91011588    -13.19272413
  H     14.65447520     13.47112730    -13.76573530
  O     12.91740139      8.29736633    -14.89829945
  H     12.74530086     12.00499960    -13.14602611
  H     15.99472091     13.86930791    -14.42344725
  O     15.21509459     10.32790116    -12.97665043
  H     13.00086741     11.72572149    -14.67394453
  H     16.76516485     14.49288777    -10.78187366
  O     12.77366623     10.66413161    -16.16412151
  H     18.17778956      8.70368302    -16.38272314
  H     16.10265323     13.86625146    -12.03731209
  O     16.01381978      9.09391707     -9.42782679
  H     17.93198956     10.10530562    -15.77577237
  H     14.97723997     10.99693600    -11.25524598
  O     20.78801004      9.60592532    -14.65071035
  H     19.25048844      8.78025510    -11.36179384
  H     15.30398874     12.32118930    -10.53967756
  O     15.46181344     13.98429013    -13.62745065
  H     18.21294114      9.91551623    -11.50273239
  H     18.45495548     11.52216023    -13.98393545
  O     16.47276051     13.66711283    -11.15659032
  H     14.59823267     11.02050381    -16.67149575
  H     18.25519012     12.26379497    -15.32352566
  O     14.76014181     11.52560720    -10.47306931
  H     16.07075112     10.52233057    -16.78581242
  H     13.70118259      9.19918279    -12.35717917
  O     18.72545586     11.52795684    -14.91368769
  H     19.95353628      6.88297208    -16.82650927
  H     12.35349350      9.63697158    -11.79234897
  O     12.82578428      8.86461206    -12.12208469
  H     19.43632828      7.04915279    -15.37712593
  H     16.33188262      8.49766205    -15.19462407
  O     15.67100345      8.16224550    -14.57477564
  H     16.37137032     12.70705427    -16.34543477
  H     16.12461080      7.66263127    -13.88002114
          69
 Energy    -248.76720881511957     
  O     14.89044664     10.54373766    -15.72785597
  H     14.11678396      9.99188399    -15.57743995
  H     19.26506336      5.13707619    -15.24860645
  O     13.94737015      4.11233811    -16.03593701
  H     15.23307308     10.31537766    -16.60536823
  H     18.78958227      7.86913218    -17.39983444
  O     17.75461610      6.66688573    -11.76210512
  H     13.88220750      4.18607393    -15.07508350
  H     17.60351713      7.98264146    -16.41747525
  O     19.63332521      6.29734198    -17.99235855
  H     13.85193717      5.01588518    -16.36902742
  H     16.85041203      6.08536085    -15.34310638
  O     16.99215708      5.47138408    -18.73199270
  H     17.14905507      7.31297463    -12.15891720
  H     15.62402480      6.87044093    -15.91287799
  O     13.46003379      5.96085124    -10.67440418
  H     18.62379161      6.85914885    -12.13392642
  H     11.78248390      9.00424657    -15.20043132
  O     14.00959312      4.73558322    -13.29393969
  H     20.43152066      6.20891498    -18.50601514
  H     12.89883818      8.31441025    -14.38246058
  O     16.13130101      8.37185061    -13.11841730
  H     19.86116759      6.06025724    -17.07518295
  H     13.48834494      7.48860429    -16.37582757
  O     17.61706598      4.42058069    -15.08908974
  H     16.76489994      4.67310042    -18.24123424
  H     14.24455391      7.03835308    -17.67937447
  O     19.12862258      9.58784978    -14.52057683
  H     17.90160550      5.69631841    -18.50134486
  H     20.92933026      7.70449405    -12.79020807
  O     16.20624291      3.20031342    -17.14818376
  H     14.32706584      5.97219768    -10.24543488
  H     19.73801164      8.25372652    -13.60708878
  O     20.06009655      5.67036717    -15.39638599
  H     13.49131408      5.24000198    -11.31277235
  H     17.10034263      5.07008274    -12.22899967
  O     18.24237771      8.50585927    -16.92637244
  H     13.87784520      5.69280195    -13.31546657
  H     16.69423175      3.68970901    -11.67947525
  O     16.46047269      6.96322215    -15.43775368
  H     14.92641708      4.58637745    -13.02981754
  H     16.74866673      6.31685526    -10.23901969
  O     12.69224102      8.72061824    -15.24237201
  H     16.27485018      7.92300137    -13.96752791
  H     16.38359857      6.35874988     -8.74892107
  O     14.01277906      6.78443071    -16.77654159
  H     16.33412593      9.30585383    -13.24866744
  H     15.78449909      6.65019328    -19.14296770
  O     20.07203365      7.46835421    -13.13567990
  H     17.29039777      4.16886442    -14.21628083
  H     14.77918959      7.16465079    -20.20076341
  O     16.69337234      4.22225115    -12.47210523
  H     17.17151371      3.88167027    -15.75545884
  H     14.42809192      7.90887848    -12.91117566
  O     16.08820851      6.02514620     -9.59356246
  H     18.39762791     10.16162236    -14.26437609
  H     13.36390912      7.17678119    -12.04592700
  O     15.07091160      7.29460555    -19.30263684
  H     18.92825696      9.29675124    -15.42144095
  H     16.07477568     10.89007508    -14.54868556
  O     13.52278140      7.56357822    -12.91810716
  H     16.09636568      2.31628972    -17.48661276
  H     16.62544276     11.87058634    -13.48552577
  O     16.73312513     10.99088313    -13.83517968
  H     15.34616057      3.47104144    -16.77537700
  H     15.66304503      8.98342504    -18.61302985
  O     16.01378514      9.72534687    -18.10782363
  H     20.12215830      6.26805897    -14.64354356
  H     16.87690430      9.42815641    -17.78771022
          69
 Energy    -248.76706578860720     
  O     11.54036522      9.53357074    -11.18451338
  H     10.73772451      9.45025537    -10.67699485
  H     17.19510387      9.01343347    -16.47681003
  O     15.89818105      7.83211597    -15.39439709
  H     12.00158491      8.67759496    -11.12099468
  H     14.02530506     14.17029641    -12.61647160
  O     16.49101640     11.98972667    -13.88058842
  H     15.29796002      7.78509215    -16.14893209
  H     13.95612551     12.67374014    -12.23506659
  O     12.26447482      7.38314918    -15.36688283
  H     15.51174468      8.48174291    -14.78309726
  H     15.38318969     10.48794743    -13.89767769
  O     18.31170388      6.53682051     -9.98206110
  H     16.66549607     12.16718732    -14.81361862
  H     15.05624604      9.55127121    -12.72128429
  O     15.61676819      5.84226623    -13.39664570
  H     15.77272189     12.56677589    -13.58718533
  H     13.75218020      7.04132686    -10.84290806
  O     15.67808542      9.64407699    -10.98859172
  H     12.08078658      8.21399218    -14.90527689
  H     12.75531699      6.58777223    -11.92436118
  O     17.02905792     12.09293277    -16.63182034
  H     12.78482069      7.62148934    -16.14172914
  H     17.58777332      8.02773132    -14.56473569
  O     18.43007805      5.76782887    -12.75762201
  H     18.70579284      7.42506617    -10.02160290
  H     18.61210757      7.33891053    -13.64761927
  O     14.45314412     10.86461122    -17.03633778
  H     18.73065880      6.08115658     -9.25643795
  H     12.26290201      4.76595476    -13.63037878
  O     14.06318506      8.23105532    -17.43107896
  H     15.73338058      6.44778808    -14.14000623
  H     12.60994483      6.16289566    -14.19884014
  O     17.99042187      9.55675342    -16.51715540
  H     14.68670807      5.58138383    -13.42037969
  H     17.64280517     10.96852316    -12.82275863
  O     14.20518520     13.29341035    -12.94480027
  H     15.66713011      8.69344009    -10.81466374
  H     18.23418708      9.53732787    -12.95252032
  O     14.91061163      9.67729332    -13.66768492
  H     16.55365917      9.86413069    -11.33300571
  H     19.95119864      9.65500613     -9.74424803
  O     12.84595673      7.16006398    -11.15261260
  H     17.46465717     11.22187319    -16.64167636
  H     18.98131792      9.56933325    -10.93131370
  O     18.42348010      8.17261150    -14.10129629
  H     17.50477447     12.64801962    -17.24381141
  H     12.38800006     11.38652627    -14.80656431
  O     12.82981418      5.52116174    -13.49910503
  H     17.50969834      5.56596583    -12.96975451
  H     13.24327911     12.62236279    -14.48491617
  O     18.07767222     10.26232915    -12.32762480
  H     18.45696476      5.92846325    -11.80667421
  H     16.50221267      6.69760820    -10.39835395
  O     19.35400248      9.06183827    -10.19319611
  H     13.84453142     11.35230980    -16.46114260
  H     15.66839083      6.54230418    -11.69629042
  O     12.82633606     12.14719457    -15.21250323
  H     15.28841583     11.34098344    -17.00686450
  H     12.83184126     10.92233068    -11.00724814
  O     15.64157178      6.88682887    -10.79166969
  H     13.96432781      8.06865392    -18.36492001
  H     14.36037742     10.91701087    -10.84986487
  O     13.60388823     11.50013723    -11.00496186
  H     14.16336371      9.19547106    -17.32158285
  H     13.10360552      9.73984123    -13.85012289
  O     12.13644449      9.75460228    -13.92612991
  H     18.52749908      9.22949356    -15.78488897
  H     11.79441598      9.72023976    -13.02498266
          69
 Energy    -248.76674432216399     
  O     14.23164801      9.71769494    -16.28033056
  H     13.39175848      9.25290246    -16.10630672
  H     17.54753764      5.34071483    -13.60834982
  O     10.84719880      8.34091681    -11.44830662
  H     14.15513917     10.10715159    -17.14689522
  H     14.72657854      8.79820632    -12.23386966
  O     15.19002403      6.18770530    -10.45656614
  H     11.30632871      8.41525537    -10.60324053
  H     14.85633101      7.30527340    -11.81677061
  O     13.43705988      3.02017203    -10.00797081
  H     10.73788278      7.39670427    -11.61406129
  H     12.13619414      7.68001190    -15.10324413
  O     12.21410101      8.38573928     -8.93007380
  H     15.53334656      5.37006556    -10.83978904
  H     11.50335139      9.07036499    -14.93645602
  O     13.61930098     11.18328131    -13.83683982
  H     15.86827083      6.60102886     -9.90847608
  H     17.54479677      7.78643496     -9.86346331
  O     10.99788372     10.14348056    -13.46383888
  H     13.25301631      2.41201622     -9.29583074
  H     17.62392606      7.63121010     -8.32458858
  O     15.69709195      3.74216886    -11.63035243
  H     13.11699865      3.88967079     -9.71802608
  H     18.29239278     10.29966407    -13.78912695
  O     12.15295735      3.08854885    -12.60483992
  H     11.82773861      8.85980182     -8.19818340
  H     17.19012116      9.22715925    -13.94340624
  O     15.30848847     10.50707023    -11.81385217
  H     13.10088099      8.76456741     -9.06675030
  H     12.40780936      6.51073677     -9.13653765
  O     11.07030966      5.51771204    -11.79311354
  H     12.71302445     10.89129764    -13.67126334
  H     13.60062314      5.85995706     -9.84229214
  O     17.84369160      5.31133007    -12.69114757
  H     13.87073741     10.79699811    -14.68294660
  H     15.49004085      8.91635846     -9.12622212
  O     14.62172325      7.89217625    -12.54773867
  H     10.95231568      9.50208842    -12.73287257
  H     14.89055196      9.94066154    -10.10813425
  O     11.94294592      8.49961374    -15.57971137
  H     10.19286873     10.65346210    -13.42565445
  H     18.20760817      6.88197318    -11.85070039
  O     17.01210764      7.73760877     -9.04719173
  H     15.23969529      3.88582312    -12.47393975
  H     18.17449722      8.42544371    -12.02857921
  O     17.66977853      9.76962241    -13.29710349
  H     15.05370890      3.33138825    -11.04099432
  H     13.30167085      7.04624751    -13.38212373
  O     12.71077067      5.67081675     -9.50096317
  H     12.87518049      3.28993584    -13.21167738
  H     12.05070661      6.15200089    -13.19917775
  O     14.69403911      9.42755822     -9.31231752
  H     12.57070354      2.90565349    -11.75416277
  H     15.54643714      7.99390677    -14.04652218
  O     18.31014457      7.72434374    -11.38294484
  H     14.71639890     10.87669283    -12.48855486
  H     15.46879524      8.68367435    -15.44016162
  O     12.69320272      6.45650925    -13.85305916
  H     16.17492179     10.40036242    -12.22276802
  H     17.07757594      5.36007633    -16.15333719
  O     16.03963940      8.15326039    -14.86813076
  H     11.59074892      5.57582429    -10.97971539
  H     16.46468660      6.45067565    -15.24447773
  O     16.65541965      5.50036313    -15.30928673
  H     11.23379235      4.62747315    -12.13714237
  H     15.14863804      4.56359096    -14.57836067
  O     14.40200052      4.28298325    -14.03663837
  H     17.29800082      4.63702678    -12.26917234
  H     13.78443422      5.02993996    -14.03449644
          69
 Energy    -248.76671121732392     
  O     11.88068714     10.13671888     -8.84882870
  H     11.94675973     10.96422928     -9.35459536
  H     13.27914926     12.98365861    -14.08961784
  O     11.59752361     10.57226843    -17.23429813
  H     11.48522659     10.36064657     -8.00890290
  H     17.68612395      9.35466312    -12.30835682
  O     11.29046417      8.14480656    -10.73365553
  H     11.45045214     11.47503137    -16.90046279
  H     16.78009921      9.00014512    -13.52381635
  O     13.21331959      9.40815370    -15.23925227
  H     11.67066656     10.63779266    -18.18273226
  H     14.91851075      7.74266762    -13.20320589
  O     11.01842796     13.01065772    -16.15055685
  H     10.70890075      7.49596343    -10.34375074
  H     14.68401562      8.35847088    -14.58887850
  O     11.16313453      9.38328957    -13.30739654
  H     11.48219394      8.79872761    -10.04329086
  H     13.75940287     15.35817418    -11.00330595
  O     15.91742183      7.63329969     -9.50253810
  H     12.73417748      9.71967149    -16.01715012
  H     14.58459637     14.14351265    -11.48493858
  O     14.12603865     10.63662944    -11.68005372
  H     12.55595887      9.31108907    -14.53493095
  H     13.09715913      7.71930619    -11.29268240
  O     14.71413649      9.74241744     -8.09343575
  H     11.59000724     13.39782104    -15.47532150
  H     14.10340902      8.83173654    -11.61471330
  O     16.16622735     13.47110187    -11.64363110
  H     10.15508835     12.89383639    -15.73534557
  H     17.31392725     11.22754475    -13.70425497
  O     12.13702260     12.28693042    -10.51170136
  H     11.17435176      8.90356166    -12.47216012
  H     17.85524622     12.38146766    -14.58525155
  O     12.60566744     13.65402438    -13.88651053
  H     11.01263820     10.31472562    -13.09254951
  H      9.81400087     12.17884272    -13.31515059
  O     17.44537741      9.62563117    -13.20102878
  H     15.51065391      8.25099090     -8.87810021
  H     11.29021698     12.63628212    -13.20505816
  O     15.36996742      7.98504844    -14.02271052
  H     15.28083561      7.54286459    -10.22364943
  H     15.56737278     10.96091925    -10.62143172
  O     13.67780028     14.48453562    -11.37663404
  H     14.28490688     10.99346983    -12.56377172
  H     16.97651332     10.56513759    -10.12059525
  O     14.00963245      7.86726141    -11.55890035
  H     13.42878950     11.17120953    -11.28378439
  H     14.14422343     10.87301057    -14.70296128
  O     17.13950862     12.14039330    -14.00461195
  H     13.80068917      9.86194014     -8.37134714
  H     15.37508039     11.80127844    -14.32992481
  O     10.61127967     12.09024520    -12.77919950
  H     15.23699549     10.37671521     -8.60245137
  H      8.80891533     11.28671063    -15.05462752
  O     16.26978423     11.21248997    -10.00149278
  H     16.54512533     13.12129394    -12.45837516
  H      7.69651007     12.35216536    -14.89037259
  O     14.41951046     11.68476140    -14.25596986
  H     16.32308761     12.79520117    -10.96944554
  H     18.83712598      8.72826300    -10.10431583
  O      8.62546261     12.19379052    -14.74905482
  H     12.65247986     13.08739479    -10.67527223
  H     17.31625059      8.44866166    -10.12360519
  O     18.01335684      9.03157215    -10.47546883
  H     11.46780221     12.23215624    -11.21058857
  H      9.95813062      9.41888965    -14.76095104
  O      9.45467631      9.72857099    -15.52633613
  H     12.92691490     14.12208891    -13.10782373
  H     10.10819549      9.88281109    -16.22017130
          69
 Energy    -248.76600880823531     
  O     -3.79079151      1.65058327      4.56500911
  H     -4.34550258      0.97252142      4.97238392
  H     -3.87592567      2.24659457      0.65391462
  O      0.98354016      3.99015748      0.64742664
  H     -4.07384136      2.51596408      4.88877615
  H     -5.13119130      3.88026507      0.53560488
  O     -1.18222297     -0.40472566      1.49578104
  H      0.95946838      3.18796792      0.09540194
  H     -6.53141891      3.37255242      0.85437822
  O     -5.39838226      1.24619043     -1.55492768
  H      1.57970582      4.60047797      0.22202121
  H      1.20672696      0.95283340     -0.09672203
  O     -3.92432711     -1.02073904     -1.51781233
  H     -0.22216843     -0.50013858      1.52987689
  H     -0.01924415      1.33446115     -0.95232311
  O     -4.50941835      1.17733735      1.90261858
  H     -1.38021357      0.02492224      0.65048575
  H     -4.43238957      4.90312901      5.90645674
  O     -6.88678117      3.53459300      3.75566329
  H     -6.10254709      1.28658330     -0.89171660
  H     -4.25420237      4.69511556      4.38140036
  O     -8.28033303     -0.50453806      2.17787650
  H     -4.78458086      1.94897890     -1.31381200
  H     -1.58586614      3.27344697      2.20589675
  O     -1.37189635      1.79772404      3.24714555
  H     -4.11302310     -1.59279332     -2.25679959
  H     -0.76886529      4.17280394      1.24688826
  O     -6.98889069      1.51698687      0.71539473
  H     -4.52611947     -0.25753035     -1.58875454
  H     -4.62553267      5.03828377      2.18145906
  O     -5.87771765     -1.79498300      3.13405058
  H     -4.28519735      0.25026808      1.75310390
  H     -3.08676294      4.96577659      2.36626560
  O     -3.52975181      2.84835589     -0.02817326
  H     -4.32249887      1.38786024      2.82540030
  H     -5.53264698     -0.95708606      6.17041811
  O     -5.92630091      4.10668367      1.03305044
  H     -6.61279470      3.79850548      2.87113358
  H     -5.60007743     -0.93531837      4.62492387
  O      0.86543974      1.62676724     -0.69753338
  H     -6.18880249      3.83958788      4.34727791
  H      1.36529757      2.90020589      2.22187897
  O     -4.53591522      4.26257144      5.20849314
  H     -8.19251424      0.04643940      2.97925228
  H      0.47501267      2.10162711      3.19179323
  O     -1.65545419      4.02399495      1.59655236
  H     -9.15589097     -0.88071167      2.19883740
  H      2.40316847     -0.63178960      1.66068994
  O     -3.90614152      5.26313739      2.78313277
  H     -1.37038105      1.00857613      2.68854397
  H      1.62764003      0.66070926      2.01566729
  O     -5.49674006     -0.37533828      5.41583541
  H     -2.13755766      1.72789621      3.83228982
  H     -7.55141343      1.91266689      4.15040338
  O      1.38157347      2.17827248      2.86184110
  H     -6.16446700      1.41511368      1.21794553
  H     -7.07832932      0.61414838      4.84925334
  O      1.61554550     -0.13617844      1.45494715
  H     -7.58853933      0.85844882      1.08327058
  H     -3.86452787     -1.43069282      0.32463089
  O     -7.80742081      0.99992911      4.35211405
  H     -6.66740100     -1.46027197      2.69112359
  H     -2.83025991     -1.27800877      1.47142084
  O     -3.76447876     -1.44765106      1.28541984
  H     -5.17359760     -1.83107793      2.47450079
  H     -2.36542539      1.56103611     -0.72144452
  O     -1.82474689      0.79361914     -0.95103927
  H     -2.84377745      3.37470545      0.40624645
  H     -2.43103756      0.12189338     -1.28700738
          69
 Energy    -248.76573819155661     
  O      7.38412528      0.19431037      4.82449816
  H      8.17041858     -0.36688211      4.74977371
  H     12.59692393     -2.93199724      4.90296684
  O     10.75865256     -0.60983817      7.19625520
  H      7.16175483      0.24581335      5.76005290
  H      6.83191572      3.14554184      6.43679397
  O      8.96564342      0.57079600      1.41896534
  H     10.06113881     -1.04269691      7.70328860
  H      7.23836259      3.77752671      7.78786700
  O      8.42325861     -1.76204827      8.28144520
  H     10.52928952      0.33210812      7.13105232
  H      6.67383916     -1.54346243      2.04286586
  O      9.57792933     -4.01124949      4.43612686
  H      8.59301723      1.29680234      1.93536353
  H      7.95093285     -0.92257376      1.42334670
  O     12.83698126     -1.25971626      5.42178562
  H      9.83706741      0.40678757      1.79263546
  H      4.35191224     -3.62811855      5.47609640
  O     10.02085623      1.97367375      6.72594639
  H      8.23721531     -2.03522122      9.17669206
  H      5.77935996     -3.07341477      5.67598492
  O      3.99030726      1.24782357      4.24814640
  H      7.83212731     -1.01218690      8.08968259
  H     11.15644387      1.65979174      3.65245330
  O      9.63471896     -1.25310938      4.75440771
  H      9.40266948     -4.03412152      3.48419066
  H     11.56309962      3.14345778      3.77687758
  O     11.82594916     -2.51080266      1.98065058
  H     10.53621509     -4.07873001      4.54358308
  H      6.14377859     -0.54756301      3.82961439
  O      5.94268071      3.27495463      4.94229688
  H     12.56934934     -0.70605854      4.68161446
  H      5.13317290     -1.70528469      3.92598030
  O     12.39372159     -3.80314856      4.51997785
  H     12.25934258     -1.01832505      6.16039835
  H      7.80473752     -2.94735485      6.88430541
  O      7.36274859      3.00622864      7.24097432
  H      9.15443783      2.37290719      6.86325027
  H      8.11857950     -3.78048251      5.61784044
  O      7.47174069     -1.75550552      1.54798805
  H     10.31976184      2.24631833      5.85029957
  H      8.57588211     -3.04598912      1.61712166
  O      4.87508452     -2.83413652      5.40476506
  H      4.42146220      0.49990566      3.80294869
  H      9.05680619     -4.36415347      0.96791875
  O     10.89950709      2.51098738      4.04294935
  H      3.20961685      1.45370082      3.73913678
  H      4.08666086      0.27102986      5.92319095
  O      5.40138075     -0.96771145      3.36290473
  H     10.03675637     -1.08333151      5.61776859
  H      4.42354843     -1.19155889      6.28337719
  O      7.39919662     -3.46398897      6.17844794
  H      9.57390245     -2.20757554      4.63065119
  H     11.67925585     -0.77699598      2.52577722
  O      9.24133320     -3.75626048      1.67861624
  H     10.97119738     -2.89544595      1.74867971
  H     10.69288545     -0.42113391      3.64498850
  O      4.31436263     -0.30856882      6.66013943
  H     12.13154874     -3.01834107      2.74209946
  H      6.93422753      1.25091201      7.62490603
  O     11.36677879     -0.03346860      3.06130909
  H      6.63696873      3.17046486      4.27626853
  H      5.85599233      0.12825945      7.39312125
  O      6.78740024      0.29709827      7.60656623
  H      5.25416786      2.63928555      4.71436100
  H      7.85818283      1.66302099      3.92048778
  O      8.11905734      2.43931755      3.39716115
  H     13.12829525     -4.37261677      4.73342102
  H      9.04101742      2.61814997      3.61699734
          69
 Energy    -248.76571803178948     
  O     17.53355320     10.38133295     -7.75241109
  H     17.42432980     11.04556674     -7.07720412
  H     17.28658673      8.47317890     -7.45967602
  O     19.08886086      5.40665304     -9.94005751
  H     18.31408045     10.64243317     -8.27501455
  H     16.65596418     10.14520558     -9.37343886
  O     19.13242976      4.52513132    -13.57646405
  H     18.47203150      4.83786494    -10.41193518
  H     15.76557849      9.04000435     -9.99009984
  O     18.75212011      7.32939546    -13.54976768
  H     18.82511744      6.31454389    -10.15779721
  H     20.22239957     10.27428937     -9.33261709
  O     22.59527770      7.65634891    -11.63330452
  H     18.48512407      4.25189457    -12.90441420
  H     19.50065180     11.21250727    -10.31598512
  O     17.27045413      4.04011015    -11.61490829
  H     19.10730420      3.86545172    -14.26493532
  H     15.54649388      8.21670646    -14.70512053
  O     20.80233959      9.21750903    -13.20857581
  H     18.89039533      6.37788586    -13.63083926
  H     16.31566304      8.92508890    -13.56477404
  O     19.88261005      6.73571448     -7.63910778
  H     17.84553575      7.51938644    -13.82262231
  H     20.70702610      4.99078766    -12.48805494
  O     15.92538012      4.93336242     -7.40175070
  H     23.53329145      7.49516829    -11.68653472
  H     20.61353927      5.30953343    -10.99889486
  O     20.92765640      8.58898692     -9.53966547
  H     22.15749066      6.78876945    -11.70079418
  H     14.22466087      4.85966156    -11.13367280
  O     18.51335810      7.97643960    -10.81096651
  H     16.66117703      4.77838841    -11.77248419
  H     14.49396720      3.70686678    -10.14880256
  O     17.24832798      7.51095403     -7.50729657
  H     16.90081097      3.53113259    -10.88229434
  H     14.50702365      7.00231315     -9.03674060
  O     16.31223754      9.80792850    -10.20957371
  H     21.48333787      8.74076321    -12.71919679
  H     16.00131705      7.37040755     -8.82980668
  O     19.59941941     11.01359826     -9.37740521
  H     20.14642338      8.55661174    -13.46840792
  H     15.46920519      6.60650050    -11.06728570
  O     16.06858145      8.05250568    -13.92442185
  H     19.70616603      6.05645635     -8.30569174
  H     15.60670760      6.76596101    -12.60895467
  O     21.22661363      5.31961118    -11.74735454
  H     20.38842782      7.41345894     -8.10603081
  H     19.99188467     10.62167188    -12.57766165
  O     13.79693120      4.28417525    -10.48638239
  H     16.44160817      5.73800364     -7.27369144
  H     19.84023528     12.15722949    -12.63465169
  O     15.26643402      7.41866543     -9.46024054
  H     15.00878021      5.22034171     -7.50105429
  H     13.35363961      5.22294410     -9.06168818
  O     15.48396749      6.11951956    -11.90495912
  H     21.62217437      8.33019007    -10.15577996
  H     12.40825610      5.80156384     -7.97923203
  O     19.47017817     11.37143386    -12.23972762
  H     20.09003265      8.41911909     -9.99953190
  H     17.73390535     10.76158486    -12.74273968
  O     13.31406531      5.79566743     -8.27473093
  H     18.59145688      7.82852591    -11.76257023
  H     16.53772485     10.29524059    -11.90436303
  O     16.85447218     10.37385010    -12.81725474
  H     17.82263575      8.63059590    -10.66449774
  H     16.12135909      3.67534992     -8.62328810
  O     16.08492904      2.99329747     -9.31732926
  H     18.17179018      7.21642976     -7.48890613
  H     16.16912238      2.15253590     -8.87520503
          69
 Energy    -248.76554786001759     
  O     -8.02727971     -3.01180227      5.18460980
  H     -8.65156112     -2.27548349      5.27249946
  H     -8.03831641     -0.46505202      3.96875436
  O     -8.31444563     -3.71906175      2.60111986
  H     -7.21384667     -2.74202310      5.62501110
  H     -4.91892293     -1.94282173      5.63772621
  O     -5.14438466      0.90028120      0.48095366
  H     -8.25960877     -3.51446535      3.55252005
  H     -5.05081075     -2.58651537      7.03829515
  O     -6.23590596      0.60584181      6.00925234
  H     -8.64752553     -4.61011705      2.53569745
  H     -2.17591777      3.56603782      2.77066733
  O     -5.15629908      5.39013050      1.67682720
  H     -5.34103268      0.05163899      0.06776033
  H     -0.81078726      3.06257251      2.24114296
  O     -9.79197702      0.66935630      0.60260984
  H     -5.98775627      1.23762731      0.81725773
  H     -9.86367496      4.06770702      4.62359828
  O     -3.99418594     -1.61686970      4.19815778
  H     -5.96237626     -0.24531412      6.37019857
  H     -8.53949585      3.56717184      4.01550634
  O     -3.87221852      3.41245148      0.32356046
  H     -6.52819734      0.40645602      5.10606643
  H    -10.34598409      1.77855450      3.57411100
  O     -9.53194128     -0.71155773      5.03137833
  H     -5.15931528      6.18936514      1.15710792
  H    -10.56358662      0.87206312      2.33990147
  O     -6.00476041     -1.62957784     -0.39801315
  H     -4.73409819      4.70222739      1.13096645
  H     -5.77771303     -2.18496461      1.38772173
  O     -3.58030105      0.85400956      2.82315188
  H     -8.98018154      1.12608085      0.88344286
  H     -6.62098029     -3.00767406      2.39452131
  O     -7.23051682     -0.18742723      3.51352381
  H    -10.12319988      1.13653577     -0.16066557
  H     -8.66772543     -2.44923574      1.14514462
  O     -5.53136184     -2.08911621      6.38188114
  H     -3.73185252     -0.76599943      3.82686067
  H     -9.11034959     -1.10507804      0.49308522
  O     -1.75043476      2.91299044      2.18628062
  H     -4.54564109     -2.02997895      3.51795480
  H     -7.90051807      1.26548512      6.56428402
  O     -9.38242802      3.27466120      4.39500240
  H     -3.05554658      3.24724897      0.81114859
  H     -9.01925970      2.12301283      5.93455077
  O    -10.78692756      0.97445019      3.27212066
  H     -4.29436158      2.54966543      0.21960681
  H     -3.77727912      3.98622290      4.21157050
  O     -5.86184734     -2.41425453      2.32092369
  H     -9.36011610     -0.05779650      5.72493267
  H     -3.84879068      5.04805090      3.10118944
  O     -8.58586237     -1.90284284      0.35448544
  H    -10.12061278     -0.27272760      4.40090591
  H     -4.47159295      1.94703447      3.98063507
  O     -8.84824967      1.45378127      6.60793612
  H     -6.95862900     -1.71134300     -0.21348767
  H     -5.28856620      1.98232681      5.29033128
  O     -3.23807278      4.61215727      3.70739008
  H     -5.82651909     -2.15519283     -1.17321812
  H     -7.34698563      2.57243088      2.08937224
  O     -4.91316954      2.54513089      4.60101236
  H     -2.83289912      1.43009456      2.61832253
  H     -7.43154246      1.04139803      2.31846499
  O     -7.50480555      1.73412087      1.63965863
  H     -4.10900891      0.79136649      2.01574300
  H     -6.25479499      3.43153666      3.78862760
  O     -6.91718035      3.90671830      3.26356453
  H     -6.77445694     -0.96806352      3.17801310
  H     -6.42842855      4.53378962      2.71595877
          69
 Energy    -248.76542901483793     
  O     16.43646679      7.63777903    -15.08080178
  H     16.99144513      8.14221431    -15.69040420
  H     14.78747314     13.74843389    -11.49057869
  O     18.08904881      9.29076529    -16.59032252
  H     17.01261271      7.13572434    -14.48682818
  H     15.35708382      3.57962593     -9.91077828
  O     12.98109378     10.86538448    -10.92018198
  H     18.79034445      9.45476234    -15.93319975
  H     14.57922831      4.40090695    -10.96569358
  O     13.72797790      7.09197682    -14.85577748
  H     18.51871826      9.19908131    -17.43675141
  H     13.74594641      8.00825696    -11.50054626
  O     17.93212746      6.40903062    -13.08471204
  H     13.53040513     10.08231267    -10.78002561
  H     14.97991502      8.89073461    -11.84423516
  O     20.11129666      8.12948700    -12.41797942
  H     13.58938180     11.57995841    -11.14267591
  H     16.14993373      3.98984639    -12.35699941
  O     16.61414832      6.82452779    -10.62791678
  H     14.65978607      7.31737528    -14.99079580
  H     17.03527612      4.76433193    -13.34421821
  O     11.09837727      9.79073583    -12.54906422
  H     13.69851432      6.12691454    -14.88199586
  H     14.87640520      4.19064946    -14.20405336
  O     17.19841740     11.92801694    -15.74696334
  H     17.44834996      6.56095181    -12.25853230
  H     13.86468129      3.54922423    -15.18181667
  O     12.83922320      9.86882380    -14.81220142
  H     18.78437656      6.84452486    -12.97525424
  H     15.72352508     10.32456739    -13.50922463
  O     14.83711150     11.68274002    -14.34277476
  H     19.43665271      8.59854055    -11.89672382
  H     16.21782031      8.88465390    -13.80422089
  O     14.86061817     12.83356411    -11.75080483
  H     20.85255496      7.97557169    -11.83770686
  H     20.06603808      9.23616085    -13.92356911
  O     15.46149361      4.25108065    -10.57946816
  H     16.29762783      5.92539214    -10.47754809
  H     19.67545325     10.69380436    -14.26747509
  O     14.48745467      8.49139702    -11.11063827
  H     15.82029622      7.37689409    -10.70128982
  H     18.32056206     12.28916394    -14.48028646
  O     16.37724667      4.05996427    -13.29291785
  H     11.71432355     10.24337164    -11.94469598
  H     19.47738835     13.16869182    -13.95031417
  O     13.98376185      4.28163235    -14.58294005
  H     10.23044199     10.14461089    -12.37716967
  H     11.78175156      8.04808345    -12.45112242
  O     16.10182882      9.53638988    -13.10181206
  H     16.30812048     11.89791190    -15.36638613
  H     12.81795912      7.24404194    -13.28860162
  O     19.89579012      9.83830630    -14.65737807
  H     17.36114768     11.06543624    -16.14392544
  H     17.38802403      9.44750196    -11.86497619
  O     18.96719007     12.38599235    -13.75704914
  H     13.06827408      8.94701687    -14.97699076
  H     17.61823194      8.49134549    -10.67934710
  O     12.36695311      7.28131983    -12.43103302
  H     12.16404953      9.86147188    -14.12227756
  H     17.70077285     11.21095694    -11.03562719
  O     17.98420137      9.26975770    -11.11745990
  H     14.67743473     12.16473740    -13.52285621
  H     18.00122670     12.21757911    -12.15933571
  O     17.46032618     12.08255325    -11.36939067
  H     14.07288447     11.11808578    -14.53802848
  H     12.72389123      5.53637575    -11.91821276
  O     13.11426781      4.65313342    -11.87398035
  H     15.77915717     12.56790376    -11.56869162
  H     13.28200079      4.40667155    -12.79207243
          69
 Energy    -248.76520411503054     
  O     15.02163443      9.47140415    -10.21817249
  H     15.10613233     10.21453163    -10.83045221
  H     14.07816356      6.57085917    -15.59005220
  O     14.19215473     11.95755051    -15.71555108
  H     15.82480448      9.41924016     -9.68468829
  H     13.57977544      8.42054594     -9.84839330
  O     17.67273520     10.26989591    -13.24563699
  H     14.89667508     11.50816775    -16.19668404
  H     12.38606644      7.90221087    -10.66443699
  O     11.94700441      6.05097702    -13.57576549
  H     13.72715236     11.28514824    -15.19953483
  H     17.87308905      6.96466639    -15.08066304
  O     17.03535401      6.33337653     -9.24877649
  H     16.81030374     10.54020425    -12.90581823
  H     18.74710493      5.71228942    -15.28819295
  O     17.72301305     12.46052392    -14.98175245
  H     18.17676677      9.90302782    -12.50520382
  H     14.95555194     14.47717172    -13.85709547
  O     15.25200460      7.51034931    -12.23443272
  H     12.34069188      5.90396996    -14.44233673
  H     14.87373501     13.10578913    -14.57230046
  O     15.17195828     11.22926101    -12.35296422
  H     12.53867114      5.60027677    -12.95398063
  H     13.74336039      9.27964401    -14.35261092
  O     17.82197567      6.52408438    -11.96497818
  H     17.38491356      6.19955461    -10.13963982
  H     12.57440910      9.53970909    -13.37267817
  O     18.87837985      9.01066218    -11.15743448
  H     16.13824030      5.97765027     -9.24115669
  H     16.85891110     11.29974296    -17.83603394
  O     15.62835710      4.49376672    -14.13047320
  H     17.89955676     11.76172564    -14.33524325
  H     17.07970606     11.54534565    -16.32517185
  O     13.66597818      5.72972800    -15.85410632
  H     17.03650783     13.01137150    -14.58631565
  H     10.55240394      8.54149646    -12.24253692
  O     12.92172976      7.71091650     -9.88676371
  H     14.70444083      6.73159139    -12.06566782
  H     11.60248392      7.56094706    -12.81345888
  O     18.02159203      6.05683940    -14.77198662
  H     15.11849752      8.14392699    -11.51937862
  H     13.77381816      6.23379527     -9.43683531
  O     15.34009935     13.60528565    -13.87712295
  H     15.24893136     12.12683532    -12.69783776
  H     13.91990981      4.99904969     -8.51659180
  O     13.22523266      9.98160503    -13.93136392
  H     14.47166315     10.79893585    -12.86516006
  H     14.64880392      4.68956341    -12.59568198
  O     16.64536363     10.95816546    -16.97135739
  H     18.07065779      6.24177668    -12.85078999
  H     14.19702673      4.89622308    -11.08398482
  O     11.49205972      8.40237620    -12.33397920
  H     16.93212329      6.89894829    -12.05961722
  H     14.98975751      7.78062968    -13.93344246
  O     14.32161527      5.44847013     -9.25571397
  H     18.47532846      9.11946076    -10.28844725
  H     15.72434970      8.25718006    -15.20804321
  O     13.96124302      5.03712552    -12.00691633
  H     18.66700490      8.10618359    -11.42769253
  H     17.64230669      9.13423746     -7.84338854
  O     14.86219128      7.98192958    -14.87534411
  H     14.97553633      4.75697897    -14.79190673
  H     17.25766929      8.00540760     -8.83195233
  O     17.34616568      8.97159823     -8.73460357
  H     16.43480354      4.97185348    -14.35310572
  H     17.26719451      9.37226072    -16.15678636
  O     17.46323218      8.70577572    -15.48674584
  H     13.52652738      5.77449199    -16.79641933
  H     17.60266101      9.19537716    -14.65937386
          69
 Energy    -248.76491477817078     
  O     15.91667097     10.27427877    -15.38474852
  H     16.82003079      9.93029243    -15.45234951
  H     12.64123752     11.18916800     -9.07667349
  O     15.81813753      7.15979847     -9.44596824
  H     15.97903245     11.23511566    -15.31657916
  H     18.94421827      4.35897409    -15.48396260
  O     16.34997612     12.99328674    -14.80496829
  H     15.97664935      6.97758183    -10.38778624
  H     17.54022618      5.00139119    -15.38333363
  O     13.05489440      7.71374916     -9.90410173
  H     16.29610118      6.49814956     -8.95257084
  H     16.00103555      7.84669323    -12.31221919
  O     14.05056406      8.25821577    -15.70541365
  H     16.17809343     13.84935941    -15.18719043
  H     15.42753888      6.46939984    -12.69653371
  O     18.49904391      9.31601901    -15.18512968
  H     16.01992463     13.02025564    -13.88915239
  H     18.25239704      8.12971624    -16.61715808
  O     18.59574080      7.16296893    -13.33287415
  H     13.00109514      8.64861822     -9.67054486
  H     18.29564694      6.59428029    -16.62472040
  O     11.91608396      6.85804668    -12.21398428
  H     13.94882044      7.43791562     -9.66922389
  H     16.32422116      7.06079911    -17.56894894
  O     15.56531600     12.81047036    -12.21292662
  H     14.37102096      7.76267851    -16.46944565
  H     15.27874991      6.70428470    -18.65181399
  O     12.08462800      9.23560449    -13.83924895
  H     14.64645375      9.01663790    -15.62162009
  H     15.92067096      9.78186456    -13.63848115
  O     13.54801838     10.81206825    -12.13280645
  H     18.73829173     10.14137795    -14.73867818
  H     16.55290843     10.02330985    -12.22796383
  O     13.20235151     10.51674982     -9.45349290
  H     18.52846470      8.61402207    -14.52160700
  H     18.03618534     12.26494795    -14.21602025
  O     18.49551516      5.18422494    -15.32105791
  H     17.74789933      7.00238606    -12.89408880
  H     18.48533271     11.61362575    -12.89882836
  O     16.09983404      6.89323296    -12.14832167
  H     18.70038517      6.45108092    -13.97643444
  H     18.41051965     10.34990310    -11.22311801
  O     17.99902839      7.35629627    -17.13759242
  H     12.31249038      7.15477219    -11.37579778
  H     17.14562567     10.72296395    -10.39778111
  O     15.39867021      6.79147524    -17.70999349
  H     11.10443374      6.41078961    -11.98898014
  H     14.07637746      6.89675667    -14.47491797
  O     15.89683581      9.50619666    -12.71319556
  H     14.78011924     12.24820857    -12.15922701
  H     13.29068335      6.25564024    -13.30538032
  O     18.72812149     11.71615435    -13.82542087
  H     16.26031477     12.36279422    -11.71822482
  H     19.35035148      8.34894163    -12.15345334
  O     17.67470457     10.98003389    -11.17125208
  H     12.62607771      8.94777303    -14.58484119
  H     20.55630661      9.19659815    -11.72454539
  O     14.07045489      6.14494277    -13.86325755
  H     11.92762021      8.44413123    -13.30923143
  H     16.02247249      9.05090022     -9.23383595
  O     19.62198642      9.07322786    -11.56970942
  H     12.90638570     10.41397854    -12.73755819
  H     15.08467530     10.26837717     -9.19768561
  O     16.01445680     10.01614366     -9.24459421
  H     14.35575559     10.28919475    -12.24879524
  H     15.17994243      5.12253469    -14.96935387
  O     15.82114747      4.85813505    -15.64180541
  H     13.24444243     10.68736146    -10.41088277
  H     15.60689768      5.38599214    -16.42156163
          69
 Energy    -248.76484369950788     
  O     13.71362441      5.30986569     -9.52718456
  H     13.83950406      6.17342033     -9.11772117
  H     17.16516756      9.31078217    -12.61723125
  O     15.51066184      7.98598172    -16.57811647
  H     14.58348418      5.05377013     -9.85829949
  H     13.65429894      8.13968728    -11.76969666
  O     18.33505309      8.70774498    -13.81360277
  H     15.20725528      7.84588950    -17.47167683
  H     15.11149969      8.37085842    -12.25224190
  O     11.18777896      7.11224713    -14.41479956
  H     14.72321613      8.18631904    -16.04343583
  H     12.27487814      5.23259859    -10.60635732
  O     18.93122098      4.19517259    -11.03758291
  H     17.90081570      7.89953943    -14.12339522
  H     11.83788098      4.92031953    -12.06320749
  O     12.50501093      4.59379160    -13.83709882
  H     19.17706129      8.44525464    -13.42289986
  H     21.47979024      7.88802561    -12.41805684
  O     16.72029776      7.77119052     -9.91083598
  H     11.56940293      6.23367594    -14.29200185
  H     20.19957204      7.43795654    -11.67138507
  O     13.03368722     11.44687816    -11.77781475
  H     10.84125589      7.36964548    -13.55211316
  H     14.70885433      6.21861945    -12.85890699
  O     19.30414551      5.23967339    -13.51843978
  H     19.05853853      4.48576808    -11.95871373
  H     15.50518403      5.03800664    -12.29380943
  O     14.72189145     10.91093249    -13.91356528
  H     19.42653286      3.38803538    -10.93015947
  H     16.45706671      9.63808069    -16.07266947
  O     13.43897194      8.59024875    -14.88722493
  H     12.47262424      3.75109124    -14.28321524
  H     17.53196040      9.93411510    -15.02559057
  O     16.43588674      9.56857409    -12.03297754
  H     13.43929642      4.76581557    -13.63420151
  H     16.55360037      6.86854318    -15.47696255
  O     14.31698031      7.84181707    -12.40402780
  H     16.69070252      8.47902593    -10.56927801
  H     16.34102328      5.98723243    -14.21947938
  O     11.53240490      5.28688017    -11.22621301
  H     15.92700910      7.87555394     -9.37043926
  H     19.29494321      5.95357069    -10.32606916
  O     20.57221362      7.62944308    -12.55108442
  H     12.80632843     12.37068553    -11.70583124
  H     18.53956053      7.25509107     -9.97519978
  O     15.04503168      5.33649620    -13.08934054
  H     13.62297263     11.37754888    -12.54483895
  H      9.44332516      7.62454946    -11.44861498
  O     16.85778196     10.35913912    -15.57230404
  H     18.56504640      5.54563130    -14.05866129
  H     10.73827514      6.77342439    -11.45767630
  O     17.01682423      6.42585370    -14.75463117
  H     19.83786912      6.02072182    -13.32422242
  H     16.45975784      5.99174212    -10.44418821
  O     19.40839519      6.90545200    -10.21136696
  H     15.49323280     10.92926316    -14.49885111
  H     17.17409325      4.64162515    -10.71250429
  O     10.37003279      7.65252482    -11.67082073
  H     14.13741417     10.24138886    -14.29536782
  H     13.58409343      8.41429487     -9.27216263
  O     16.30637683      5.05910092    -10.65268338
  H     13.79973215      8.32212194    -14.02828622
  H     13.95666941      8.35351694     -7.77354987
  O     14.19830064      8.01582198     -8.63260081
  H     12.56279729      8.18231487    -14.91383725
  H     11.72469287      8.63372798    -10.92745491
  O     12.55136212      9.00742327    -10.59413255
  H     15.88355809     10.17702143    -12.53849007
  H     12.66164853      9.89532388    -10.96624830
          69
 Energy    -248.76471226345365     
  O     -5.47915707      3.20909650      2.87081845
  H     -6.23662512      3.18522152      3.44841253
  H     -4.74827538      3.07717306     -1.24551275
  O     -2.61083912     -1.84538955      1.13011708
  H     -4.94029906      3.97552592      3.13968038
  H      0.74725754     -2.52320847      0.16435393
  O     -1.68381490      3.08843065     -2.30623250
  H     -3.03193217     -1.24991968      0.49714639
  H      0.44170405     -1.32643515      1.08960918
  O     -3.42562773      0.37500450     -0.50094045
  H     -1.71642518     -1.97946440      0.79387322
  H     -1.34509130      3.94596783      3.20703103
  O      1.79458871      1.24697987      4.64618957
  H     -1.25839957      2.24000329     -2.14353252
  H     -1.27338101      3.44960890      4.66244455
  O      1.11118021      5.81657010      0.65872407
  H     -2.63380044      2.91166067     -2.28609252
  H     -2.75323026      5.97816394      0.25746318
  O     -1.37724286      3.27867500      1.60330176
  H     -3.87812639      0.97723382     -1.10308726
  H     -3.64084729      7.23201978      0.42558663
  O     -0.99171389      1.73415538      5.20419251
  H     -3.47905777      0.79079259      0.37396882
  H     -4.18176076      1.99138373      2.40940763
  O     -1.92209277     -0.30085458      3.34162726
  H      2.45759080      1.10831470      5.31730972
  H     -3.00991355      0.93921889      2.59380729
  O      0.77390544     -0.18241700      2.46565743
  H      2.05184513      2.05080388      4.15999736
  H     -3.67716384      5.73813977      2.55064570
  O      2.45322721      3.48111468      3.24844235
  H      0.93406026      5.91512232      1.60237418
  H     -3.00604175      5.03261530      3.76138916
  O     -4.47624826      2.51768662     -1.99467423
  H      0.25936850      5.68774983      0.22036971
  H     -1.69010243      0.45035886     -1.02318885
  O      0.15753169     -1.78194720      0.27994359
  H     -2.13817434      2.68486668      1.66701039
  H     -0.37988148     -0.34911853     -0.94893199
  O     -1.34734161      4.25293435      4.12891998
  H     -0.60991066      2.75896304      1.32808035
  H      0.02180682      5.31382849      3.82158914
  O     -3.53050324      6.33205926      0.72208034
  H     -0.04731988      1.55731735      5.10820478
  H      0.91340423      6.54144076      4.11633352
  O     -3.44669472      1.54205630      1.97574499
  H     -1.43981639      1.01205590      4.74879586
  H     -5.40017757      3.72170143      0.99666021
  O     -3.85758456      5.30436158      3.39375928
  H     -0.98879382     -0.23235805      3.09825657
  H     -4.68524634      4.88119108      0.28229696
  O     -0.75240279      0.48170630     -1.26841819
  H     -2.28749303     -0.95072735      2.72235213
  H      0.28603812      1.45902211     -0.15919668
  O      0.80585314      5.80411661      3.52076775
  H      1.20952621      0.14559305      3.26124802
  H      1.44520338      2.40186879      0.37670471
  O     -5.17828492      4.06692053      0.12449803
  H      0.79346297      0.55308726      1.83190852
  H      3.50130003      3.89247314     -0.17102738
  O      0.71930740      1.81832300      0.62784239
  H      2.67548883      3.48599490      2.31069054
  H      2.19985443      4.50031639      0.40845122
  O      2.74536952      3.69292641      0.37352913
  H      1.95495338      4.29294567      3.40367859
  H     -1.44093494      4.51770801     -1.19535998
  O     -1.38827828      5.08335603     -0.41281717
  H     -5.15901969      2.59454822     -2.65578304
  H     -1.40778881      4.47169069      0.34200735
          69
 Energy    -248.76454303542442     
  O     16.23216440      7.71102260    -10.55043935
  H     16.53765824      7.18911276     -9.79825027
  H     11.16381130      7.61534768    -15.18751390
  O     10.77170095      9.17182136    -12.17792770
  H     15.26397099      7.68488622    -10.51045686
  H     13.89448021      5.67326211    -13.43840089
  O     12.67896708      3.59367181    -11.63055106
  H     10.89831156      8.99030668    -13.11974410
  H     15.22545130      4.96808191    -13.19080970
  O     13.47114448      5.10931969    -16.14955968
  H     10.50494211      8.34028512    -11.76961266
  H     12.88879440      7.80246128    -13.86884779
  O     10.03993142      6.64318645    -10.91854863
  H     12.51798857      4.27862572    -10.96493569
  H     14.44449239      7.61798045    -13.84275006
  O     16.87869757      5.77685187     -8.58647509
  H     13.26901411      3.97238959    -12.30266354
  H     15.87358222      9.44063072    -11.43895246
  O     12.79174592     10.44600159    -10.90496767
  H     13.80539912      4.81776011    -15.29187425
  H     14.60068575     10.31506830    -11.57988198
  O     14.92098451      7.11625873    -17.21243920
  H     12.53443073      5.30682279    -16.02350151
  H     14.73620460      1.45599611    -10.25599334
  O     14.32663357      4.42524721     -8.29296364
  H     10.75599874      6.25570309    -10.38758577
  H     14.02096202      2.71063339    -10.79910478
  O     10.77577101      5.82550037    -15.61537025
  H      9.25046665      6.59542631    -10.38375137
  H     13.51400078      7.64139019    -11.63554721
  O     13.54826121      9.44251992    -16.23745076
  H     17.58522875      5.70724977     -7.94971047
  H     13.21176838      8.68570579    -10.53561454
  O     11.45215547      8.44572103    -14.78887384
  H     17.06072601      5.11613749     -9.27975946
  H     11.18142516      4.27454037    -12.67017277
  O     14.31394427      4.79830580    -13.45952669
  H     12.03956087     10.07534292    -11.40241389
  H     10.29671827      5.50707617    -12.40764439
  O     13.62526231      7.43180365    -13.36761028
  H     12.45047738     11.17559902    -10.39531079
  H     12.86720616      5.16860424     -9.05486040
  O     15.49053731     10.17844449    -11.92811499
  H     14.38978802      6.36621489    -16.88856821
  H     12.71831365      6.38269138     -9.99825357
  O     14.80047465      2.40665182    -10.30688662
  H     15.23548371      6.87736079    -18.07980465
  H     16.40208997      3.41744005    -10.63538551
  O     13.49349693      7.77368156    -10.67358151
  H     14.53113776      3.65850487     -8.84234705
  H     17.12167286      4.53974968    -11.43752782
  O     10.56969891      4.88676127    -13.09478094
  H     15.13362342      4.95346596     -8.27630119
  H     16.26069868     11.20841076    -14.79745466
  O     12.26119402      5.58646461     -9.68272399
  H     10.67478719      5.45790584    -14.71835870
  H     15.64074320     10.39715476    -13.63746979
  O     17.16185792      4.01264484    -10.62833600
  H     10.02594807      5.52374583    -16.12158181
  H     16.72201200      6.46635761    -13.46902009
  O     15.73629773     10.43537564    -14.60626919
  H     13.98973810      8.70602518    -16.67907131
  H     16.61637737      6.54189566    -11.93861406
  O     16.76031134      5.92382046    -12.67005594
  H     14.22611903      9.88143587    -15.70953779
  H     16.16624896      8.64277181    -14.73001530
  O     16.12769574      7.67748896    -14.75250390
  H     12.08177274      8.87379426    -15.38995871
  H     15.83116011      7.43284443    -15.63910280
          69
 Energy    -248.76419804629583     
  O     -7.06405035      5.05697377     -0.06784651
  H     -7.82519638      5.26512656      0.46631703
  H     -3.77311401      2.46813417     -5.11084642
  O     -0.37704790      3.67520214     -6.36602293
  H     -6.28744202      5.30884741      0.46114345
  H     -1.78247635      6.90920056      0.50655756
  O     -0.46126860      6.09260761     -4.84219969
  H     -0.35814454      4.58315523     -6.03553792
  H     -2.60469453      6.09546851     -0.51034552
  O     -0.04381706      6.45907789      1.11878033
  H     -1.27231228      3.34670899     -6.21324065
  H      0.76091164      2.72801320     -5.43404624
  O     -6.00788936      4.25109087     -2.42939318
  H     -1.36858266      5.82345909     -4.63103966
  H      1.97976161      1.78860874     -5.26130503
  O      0.85884317      6.94006903     -1.53463061
  H     -0.38361265      6.98819145     -4.49295325
  H     -5.82319138      7.38574440     -3.88105418
  O     -1.15118848      1.49059226     -3.51351469
  H     -0.24280329      5.51340455      1.24218148
  H     -4.52863627      7.36252506     -3.03583432
  O     -3.22551890      8.23689002     -2.30814440
  H      0.40743566      6.74954673      1.90674819
  H     -4.11456044      1.93030332     -1.18170088
  O      1.20039873      4.58692109     -3.13589201
  H     -6.51717812      4.50317221     -1.64205952
  H     -5.05526407      3.17757897     -1.17369600
  O     -0.27153012      3.05252402     -1.35229127
  H     -5.68752186      5.08178152     -2.80132829
  H     -3.69191923      2.50373796      2.46474247
  O     -4.80690282      5.65889442      1.36160269
  H      1.15260246      6.11295430     -1.93424469
  H     -3.81062561      2.93453678      0.98580966
  O     -2.89294749      2.82200785     -5.27776670
  H      0.60797990      6.74803078     -0.62293406
  H     -0.47358873      3.41340128      0.47730299
  O     -2.63273136      6.88517590      0.05316680
  H     -0.27244372      1.55238811     -3.90695187
  H     -1.59413625      3.60201456      1.53290424
  O      1.30201047      2.25250578     -4.77727020
  H     -1.74477243      1.94900875     -4.12650783
  H     -6.25803127      1.77914761     -4.51546425
  O     -5.17932758      6.79886088     -3.49428481
  H     -3.05814878      7.91077522     -1.41278616
  H     -5.67850829      2.87571421     -3.60066909
  O     -4.38749778      2.70350756     -0.66423137
  H     -2.35700943      8.35792033     -2.70896591
  H     -3.73928492      5.84958930     -4.11262573
  O     -3.42808702      3.18056510      1.84584649
  H      1.43966813      3.80109053     -3.64247416
  H     -2.78955783      5.05489513     -3.18507812
  O     -0.68432589      3.84104912      1.31827524
  H      0.64211048      5.11655706     -3.72441375
  H     -4.24858841      1.05076652     -3.07393923
  O     -5.43838182      2.13115623     -4.17573442
  H     -0.62204884      2.39982037     -1.97298782
  H     -2.75811391      0.80867469     -2.73307660
  O     -2.96702914      5.27313589     -4.11378395
  H      0.32638297      3.61128330     -1.86867931
  H     -1.69358828      4.14440711     -1.42643470
  O     -3.65504616      0.72607123     -2.38486794
  H     -4.12043627      6.22241572      0.98168348
  H     -3.21539049      3.98557949     -1.21576648
  O     -2.53802308      4.60584006     -1.51343886
  H     -4.34774150      4.87340262      1.68105318
  H     -0.02873040      7.96950617     -2.61573063
  O     -0.52121978      8.46293851     -3.29711454
  H     -2.91901513      3.72050225     -4.91103659
  H     -0.08439576      9.30557230     -3.39132831
          69
 Energy    -248.76403959791622     
  O     13.63406372      4.91160721    -10.17285807
  H     13.98620879      5.54375060     -9.53567067
  H     17.51870539      8.85310983    -12.43876623
  O     14.25435577      9.17357816    -16.05001298
  H     14.40018871      4.55440332    -10.63972520
  H     14.09113765      8.37133608    -11.23546855
  O     17.90351090      8.87601062    -14.19878199
  H     13.78969223      9.39883278    -16.85296177
  H     15.44209193      8.50376763    -11.97405695
  O     16.37612064     11.51401279    -11.49210420
  H     13.57759060      8.99066269    -15.37930026
  H     10.61767474      4.75153095    -11.03119245
  O     18.25573589      3.56697045    -13.07322740
  H     18.76381754      8.44379696    -14.12265580
  H     12.09542497      5.19504245    -10.93226155
  O     12.01165622      6.03332755    -14.02225081
  H     17.32065322      8.24874003    -14.65140709
  H     19.92388808      6.76699929    -12.96462120
  O     17.12036652      6.54965047    -10.13668151
  H     16.20344980     11.49687686    -12.44131037
  H     21.07406179      7.35685939    -13.81489859
  O     13.67555578     11.60131686    -10.48424765
  H     15.51748152     11.61878487    -11.06455171
  H     14.63595769      6.64431529    -12.94162709
  O     18.39236436      5.36401054    -15.11318219
  H     18.62267136      2.73210666    -13.35122047
  H     15.19387570      5.21066035    -12.90961413
  O     13.25720145     11.34082909    -13.16056369
  H     18.25977978      4.14932036    -13.85379743
  H     16.65809929     10.31355843    -14.26106194
  O     12.53299297      8.69813807    -13.89948471
  H     12.95003835      5.80216258    -13.97002488
  H     15.32996523     10.38735032    -15.00571071
  O     17.16526931      8.90270504    -11.54029707
  H     11.63462427      5.73219838    -13.18608997
  H     15.54417435      7.74132202    -15.84628745
  O     14.52872416      8.21056453    -12.07968677
  H     17.18219198      7.40058902    -10.59825917
  H     15.67315817      6.59683571    -14.81367096
  O     11.23939476      5.40120299    -11.34831237
  H     16.42927807      6.65904687     -9.47354035
  H     19.11213300      4.92669323    -12.00986668
  O     20.12823823      7.23979715    -13.79145481
  H     13.28128208     12.40571824    -10.15596541
  H     18.75802641      6.01535526    -10.97666948
  O     14.76127518      5.85192028    -13.48587370
  H     13.44086979     11.53967683    -11.42753888
  H     11.12466862      7.25264718    -11.21992808
  O     15.83738856     10.82275275    -14.30881225
  H     19.05647303      5.99527740    -14.80896557
  H     11.37289616      8.47733343    -12.11455192
  O     16.16666174      7.10641430    -15.47564440
  H     17.63952805      5.89089016    -15.40841423
  H     16.76841176      3.94359590    -12.02696415
  O     19.42479690      5.75450950    -11.62367918
  H     12.77855311     10.56467603    -13.47463620
  H     16.44967522      5.11416317    -11.06154392
  O     11.20041608      8.21728986    -11.20562183
  H     14.14051409     11.27173385    -13.54695831
  H     14.74740178      6.96188945     -7.54362542
  O     16.05372940      4.36749504    -11.53613230
  H     13.26890733      8.61737291    -13.26930241
  H     14.28481595      7.68776836     -8.82612676
  O     14.80393521      6.93526400     -8.49593661
  H     12.21597140      7.79495456    -14.05805368
  H     12.47551337      8.70638427    -10.06593121
  O     13.32162557      8.93760840     -9.65019081
  H     16.99569223      9.83815808    -11.35740985
  H     13.46857348      9.87917505     -9.80764865
          69
 Energy    -248.76398755015214     
  O     14.85494880      8.70036556     -8.99441932
  H     14.34673784      8.62557808     -8.19217935
  H     14.76465076     10.45815382    -16.06607889
  O     16.35847395      5.16509990    -13.60830377
  H     15.24700671      7.82314924     -9.16590144
  H     15.27586347      8.14787043    -12.94102478
  O     14.79563518     11.55528754    -12.24735663
  H     15.82217758      4.90800229    -12.84776517
  H     16.01526470      6.96624230    -13.65197393
  O     16.85413554     11.96333773    -14.15593442
  H     17.29219078      5.15260910    -13.36354616
  H     15.38122383      5.79186342    -10.31850418
  O     12.12391239      8.69876842    -13.53492335
  H     13.96826525     11.66154584    -12.73488011
  H     16.75912348      6.46739736    -10.06998104
  O     18.32637550      6.85445947    -10.81942862
  H     15.50527298     11.74346071    -12.87615288
  H     19.13141093      6.16970100    -13.96157806
  O     12.60342039      5.85271856    -13.20707374
  H     17.50758220     12.65348606    -14.23469806
  H     19.85881905      4.95836131    -13.32971966
  O     15.52332733      4.97160783    -16.24113535
  H     17.33836671     11.12567365    -14.06174878
  H     14.09767925      3.91635099    -11.26972913
  O     15.06438016      8.65494954    -16.22151517
  H     12.06426440      9.63644039    -13.75391802
  H     13.77530068      5.16422597    -12.12208587
  O     12.83894607      5.02282267    -15.90712827
  H     12.79313243      8.66890775    -12.83456420
  H     18.40840807      9.60148706    -12.80115563
  O     17.06927355      7.16728663    -17.30022995
  H     18.67327326      6.43485429    -11.61515638
  H     17.28718980      8.95695824    -13.66767800
  O     14.59972311     11.37219118    -15.79545969
  H     18.53424866      7.79326149    -10.88753281
  H     18.41118514      7.27538651    -15.95688577
  O     15.86004030      7.91840096    -13.67533880
  H     12.29011780      6.76045384    -13.28053396
  H     18.82249355      8.21462052    -14.79811708
  O     15.87041775      6.34667756     -9.70132118
  H     12.65153596      5.51392842    -14.11092547
  H     17.99012999     10.08028108    -10.65231554
  O     19.10705442      5.53477864    -13.22318139
  H     15.84902270      4.94460791    -15.32945235
  H     19.53108285     10.04351428    -10.52627761
  O     14.46994058      4.73336372    -11.59220179
  H     16.06614540      5.62581184    -16.69376668
  H     12.27328602      8.10577394    -15.32079738
  O     18.05319013      9.55304612    -13.69869729
  H     15.30354712      8.41756097    -15.31333770
  H     12.49627478      6.85599502    -16.20089357
  O     19.02400937      7.36779165    -15.21699981
  H     14.14853200      8.36515525    -16.35110507
  H     15.96137355     10.09115972     -9.60084864
  O     18.79955909      9.68277920    -11.02029833
  H     12.44755306      4.29405367    -16.38066679
  H     15.90406349     11.17953455    -10.69514103
  O     12.47493976      7.82111180    -16.22250022
  H     13.79726997      4.98578393    -16.07684118
  H     13.22907808     11.46237265    -14.72414046
  O     16.49588134     10.74732876    -10.06822570
  H     16.35408158      7.75744157    -17.00436617
  H     11.92351240     12.16300355    -14.28098621
  O     12.55913170     11.50285657    -14.01718358
  H     17.21380081      7.35467290    -18.22438774
  H     14.31019159      8.73854634    -10.77156615
  O     14.17981405      8.88884182    -11.71434235
  H     15.40965275     11.66537650    -15.36165535
  H     14.41954251      9.81179214    -11.88297239
          69
 Energy    -248.76376417462848     
  O     12.06385688     11.20699774    -14.15816883
  H     12.49300962     11.11958023    -13.29571901
  H     15.87712221      5.67161792    -15.17414311
  O     13.63525971      6.06599331    -17.28700703
  H     12.77149596     11.13356491    -14.80998270
  H     15.88016485      7.38737100     -9.95398512
  O     14.13523657      5.72031903    -11.94683787
  H     13.41235930      5.80510301    -18.17655927
  H     15.54438248      6.31264230    -11.01157693
  O     18.66926886      5.56420959    -11.33568272
  H     13.19418263      6.91976763    -17.12667201
  H     14.48101850      8.32848779    -13.85156286
  O     12.90404972      4.46036478    -15.00267694
  H     13.28454012      5.26822825    -11.96747298
  H     13.65785833      8.92986418    -12.68681306
  O     12.47061717      8.42493986    -16.73930731
  H     13.98967172      6.58067578    -12.37402274
  H     14.63379503     11.23606459    -16.63875374
  O     14.92622780      8.66554918     -9.11778980
  H     19.11851442      6.28522560    -11.79153421
  H     14.86392261     10.07438079    -15.64748163
  O     19.63482547      7.64816673    -13.10414266
  H     17.86977036      5.94752208    -10.94716716
  H     11.11706581      3.88359388    -12.46779825
  O     11.22003768      8.56601143    -14.21655437
  H     13.80293231      4.25668267    -14.71042414
  H     11.97137345      4.63418009    -13.51225988
  O     18.14706886      3.72473655    -13.24866983
  H     13.01267411      4.99262606    -15.79839599
  H     10.72685069      7.77891307    -12.57860749
  O     18.71535021      5.93574159    -14.99443228
  H     11.86735990      8.41546724    -15.98481045
  H     11.00103985      6.38807437    -11.98792541
  O     16.04581982      6.32937192    -15.86573457
  H     13.01331729      9.21433162    -16.62905370
  H     16.37721148      4.05480610    -13.67244899
  O     16.27738226      6.80560675    -10.61761512
  H     13.98382540      8.63010298     -9.32467129
  H     15.11378450      4.82970200    -13.17884085
  O     13.80073858      8.12289028    -13.20014564
  H     15.26488161      9.46309917     -9.54141272
  H     11.50405730      9.00123136     -9.20591220
  O     14.18000693     10.62481703    -16.06349546
  H     20.53432602      7.90060431    -13.29286707
  H     11.68093606      8.21891155    -10.52242406
  O     11.60660846      4.68937656    -12.61094780
  H     19.34274364      7.07681938    -13.83769695
  H     16.04630621      8.01387050    -15.24892867
  O     10.81576418      7.30203273    -11.74224312
  H     11.29326977      9.53269816    -14.21020376
  H     16.43183231      8.90048281    -14.01685360
  O     15.52109086      4.40383542    -13.94720975
  H     12.08969759      8.24850192    -13.92890437
  H     14.24614027     10.70067749    -11.42776456
  O     12.13877743      8.79953324     -9.88932742
  H     18.60456867      2.90560149    -13.08082780
  H     12.88883629     10.02942433    -11.04869601
  O     15.92842023      8.88492730    -14.84154998
  H     18.34358863      4.31759421    -12.50082522
  H     16.59613461     11.46250519    -10.61341333
  O     13.36475067     10.48461846    -11.75704906
  H     18.58917204      5.10109616    -14.52534065
  H     16.50027570     10.13157322    -11.39460173
  O     16.00235817     10.74933256    -10.83404031
  H     17.89009832      6.10286414    -15.46673594
  H     18.11213786      8.51176636    -12.58922288
  O     17.21684790      8.78261735    -12.34734239
  H     15.30490638      6.25658762    -16.48024568
  H     16.85002620      8.07319785    -11.79827528
          69
 Energy    -248.76362657112833     
  O     16.67203950     10.28420233    -16.38688946
  H     15.90377599     10.52361946    -15.85121101
  H     16.70103363      4.97245918    -12.26487974
  O     15.26171596      4.62329727    -13.51719574
  H     17.37573625     10.90975049    -16.17483124
  H     20.15913634      9.20679933    -14.62965523
  O     15.89121368     13.14064750    -11.24954968
  H     14.47804283      4.11045913    -13.33787258
  H     20.15769758      9.02744873    -16.16203554
  O     19.46060749      8.23299978    -13.21700737
  H     15.02017525      5.56028726    -13.40523855
  H     17.12154936      7.16403745    -15.20647485
  O     14.96111839      6.75116477    -17.56377143
  H     16.35523251     12.72291752    -11.99530264
  H     17.02441701      8.72109931    -15.35437076
  O     14.46440073      9.56337923     -9.41574552
  H     15.89549771     14.07992898    -11.41380143
  H     14.28976827     10.81067089    -13.58881812
  O     14.92831433      7.30673019    -13.24084868
  H     18.64264402      8.15157115    -13.73496139
  H     14.22845928      9.93248091    -14.86633164
  O     17.01692702     11.66601804    -13.27726513
  H     19.74872736      7.33194025    -13.03120826
  H     16.77531628      8.41580765    -11.03307044
  O     19.83790313      5.47870808    -12.86771430
  H     14.47070837      6.51293311    -18.34613349
  H     15.47952103      8.22083620    -10.21840643
  O     19.44788705      5.51842214    -15.71732687
  H     15.72497797      7.27873722    -17.86200704
  H     13.90508947      7.90563531    -14.67587535
  O     16.67922958      5.41718081    -15.81375226
  H     15.23516346     10.14627151     -9.28941252
  H     14.04298940      7.83230770    -16.21177670
  O     17.38597912      5.36506093    -11.71157195
  H     13.95629646      9.60046002     -8.60997867
  H     17.28349912     10.66156894     -9.93648303
  O     20.27171276      9.68337658    -15.46345429
  H     15.67771985      7.62757112    -13.76656648
  H     16.44738203     11.95070749     -9.86274326
  O     17.16115843      8.00163671    -14.72652594
  H     15.16689611      7.49630879    -12.32471696
  H     17.61608136     10.39059410    -12.08471860
  O     14.68144825     10.68967963    -14.46653333
  H     16.22908353     11.29483979    -13.70141017
  H     18.63032345      9.23630211    -11.93756434
  O     16.10687537      7.75876516    -10.78788440
  H     17.67260536     11.82530522    -13.96684987
  H     13.97987774     10.49722445    -11.08943088
  O     13.65546349      8.35095770    -15.49797600
  H     20.44514352      4.93852026    -12.36926879
  H     14.42886047     11.88214277    -11.56817724
  O     16.67365394     11.15236129     -9.36844779
  H     18.97191951      5.40416123    -12.42791608
  H     20.48739560      7.38315276    -18.02997425
  O     17.95795122      9.73824522    -11.45805681
  H     19.64426167      5.45472071    -14.77570470
  H     19.74189787      6.85888164    -16.78322246
  O     13.92416193     11.10434601    -11.83552733
  H     18.50631003      5.31484831    -15.81070236
  H     19.25237122     12.63450364    -15.83454840
  O     19.82877368      7.62194236    -17.38216005
  H     16.19576052      5.01262749    -15.08242750
  H     19.37965265     11.13866849    -15.45031568
  O     18.77757775     11.90595853    -15.44507537
  H     16.02894603      5.73880742    -16.45223443
  H     16.95310756      9.05234234    -17.68836252
  O     17.13495645      8.22990950    -18.16628418
  H     16.97906319      6.12935660    -11.28350588
  H     18.05164646      8.00381997    -17.96961719
          69
 Ord_Energy   -248.763535    
 O   -4.26996613      -3.79474187       2.23040032    
 H   -4.28523111      -2.83578539       2.32587385    
 H   -5.01323128      -4.01376104       1.65253341    
 O   -7.38010931      0.503092587       6.09999847    
 H   -7.94025803      0.526364625       5.30639410    
 H   -7.40701771       1.37944007       6.47748041    
 O   -7.57682323      -2.96111131       4.65773773    
 H   -6.69468307      -3.21944547       4.95574093    
 H   -8.00092030      -2.55732512       5.42736912    
 O   -10.6832438      -1.38364327       5.41496515    
 H   -10.1437969     -0.815387428       4.85093403    
 H   -11.4510365      -1.62229431       4.88555288    
 O   -8.95307541      -4.00172281     -0.855067313    
 H   -9.30815887      -3.18857312     -0.470898539    
 H   -8.06756783      -4.08847332     -0.479200780    
 O   -8.20886326      -6.13542032       2.22240376    
 H   -8.64027786      -5.74525642       2.99696875    
 H   -8.91202259      -6.26367569       1.57495832    
 O   -10.4094067      -5.90328550      0.417260110    
 H   -10.8605642      -6.49736595     -0.176171646    
 H   -9.92220402      -5.26668596     -0.136754513    
 O   -8.34371948      -6.47699308       6.41223860    
 H   -7.65821266      -6.68573380       5.75129271    
 H   -8.53512955      -7.28832340       6.87523794    
 O   -4.95683527     -0.771993101       5.17955780    
 H   -5.72483540     -0.329396099       5.55773830    
 H   -4.93781042      -1.66738975       5.54739714    
 O   -4.71072674     -0.962512136       2.51170754    
 H   -4.74080181     -0.847803891       3.47972035    
 H   -4.13241529     -0.287425756       2.16772819    
 O   -9.47559738      -4.91322231       4.38587332    
 H   -8.82639885      -4.19723177       4.45898104    
 H   -9.30626297      -5.49394178       5.13754129    
 O   -7.38718128      -1.66792572       2.30117130    
 H   -6.48088503      -1.33469105       2.25349975    
 H   -7.47252655      -2.14639330       3.14342976    
 O   -9.81060028      -1.96030271      0.903996229    
 H   -10.2573652      -2.62976933       1.44096684    
 H   -8.95566273      -1.79788458       1.32577729    
 O   -8.58474731      -1.91177142       7.03642368    
 H   -8.13233662      -1.06380212       6.94751740    
 H   -9.46133614      -1.79397476       6.63553715    
 O   -6.55356979      -6.91941881       4.41849566    
 H   -5.69386387      -6.48399401       4.36552429    
 H   -6.97584295      -6.80943060       3.55801654    
 O   -12.7106228      -1.99170411       3.49190116    
 H   -13.6339283      -2.22395015       3.55162287    
 H   -12.2609568      -2.74251556       3.07099295    
 O   -7.07362080      -4.23364782       7.71923590    
 H   -7.66726923      -3.47304058       7.65543175    
 H   -7.55619240      -4.98930788       7.36333799    
 O   -6.73010683      -4.14310503      0.930621028    
 H   -6.98974466      -3.31820774       1.35891247    
 H   -7.18320179      -4.85778093       1.40215349    
 O   -8.91782761      0.267252833       3.80733562    
 H   -9.71721554      0.421613365       3.28070331    
 H   -8.34601974     -0.284591049       3.26151395    
 O   -11.1484928      -3.99586535       2.39432907    
 H   -10.6508160      -4.30376625       3.16677594    
 H   -11.0571156      -4.67897844       1.71900141    
 O   -11.1717567      0.130409673       2.25126433    
 H   -11.8405008     -0.415460974       2.68139839    
 H   -10.7665997     -0.452818274       1.59478557    
 O   -5.15860653      -3.45612407       5.92284346    
 H   -4.72040606      -4.20405340       5.50125694    
 H   -5.70638561      -3.78649998       6.65240479    
 O   -4.09145784      -5.50476122       4.31210947    
 H   -4.10584021      -4.90657330       3.54306555    
 H   -3.22914457      -5.91159868       4.32904387    
          69
 Energy    -248.76331733008536     
  O     17.25591204     10.21561850    -17.46922666
  H     17.19201797      9.58755833    -16.73161439
  H     16.68937148      6.02367286    -10.91308551
  O     14.39367939      6.75190645    -13.35327666
  H     16.66128072     10.94649719    -17.26643934
  H     21.87248804      8.23345722    -17.20566634
  O     19.70228482      7.76508604    -14.44744423
  H     14.75451066      6.44029665    -14.19743121
  H     20.66330160      9.17270650    -16.97477108
  O     14.71453642      7.45215270    -18.01770106
  H     15.12368498      6.73313986    -12.72551365
  H     16.60408523      7.65843534    -15.50566431
  O     17.57067799     12.37516346    -11.38448258
  H     20.25563898      7.91335702    -15.22360106
  H     18.00249320      8.18282727    -15.04651692
  O     15.62563583     10.01511672    -13.68449869
  H     19.89557159      8.44877022    -13.79122043
  H     15.88428354     12.44669263    -15.66313306
  O     19.33984244     11.85830057    -14.47730734
  H     15.46933270      7.67743196    -18.57153497
  H     15.13232337     13.01312100    -16.88459214
  O     18.32290887      5.54486821    -13.55847187
  H     14.37676375      8.28356595    -17.65098247
  H     17.13095612      8.47584005    -11.43018019
  O     13.07326901      8.99150467    -14.02931118
  H     17.43363004     11.43810967    -11.20221620
  H     16.63347021      9.67751324    -12.24049821
  O     17.81512591      4.58461122    -16.22596100
  H     18.52673247     12.50292992    -11.39558914
  H     14.31306908     10.57830669    -16.57353255
  O     15.56208521      6.18306682    -15.78105588
  H     14.70013454      9.74826692    -13.72413861
  H     13.49405652      9.50331889    -15.83098675
  O     16.73468469      6.63770132    -11.64220171
  H     16.12323527      9.43734969    -14.28332169
  H     21.11676643     13.15686420    -11.90913394
  O     20.97120277      8.25186265    -16.89573263
  H     19.40746525     11.02962115    -13.98167915
  H     20.13956488     12.52185610    -12.92213712
  O     17.12866616      8.45594224    -15.35118620
  H     18.41229911     12.12676378    -14.42895951
  H     20.18764267     10.54850136    -12.15289138
  O     15.50556788     12.21145136    -16.52527871
  H     18.12295035      5.08555320    -14.38141469
  H     18.92591181      9.64078820    -12.18107057
  O     17.26579290      9.42439095    -11.55131749
  H     18.92808228      6.25760598    -13.80991072
  H     19.62142910      7.06696186    -17.56752464
  O     13.83299645      9.75414301    -16.69947566
  H     13.46875235      8.13873652    -13.76838651
  H     18.31268941      7.02680013    -18.38949701
  O     20.40197765     12.53015262    -11.98689320
  H     12.20441604      9.02365827    -13.63961959
  H     16.89440311     12.70393945    -13.10245462
  O     19.78889371      9.79358386    -12.59771375
  H     17.94896085      3.73353322    -16.63398563
  H     16.20893301     11.61991895    -13.93374847
  O     18.89011984      6.49524900    -17.82783522
  H     18.23720688      5.24277071    -16.80715231
  H     19.87988625     11.24097041    -16.16794460
  O     16.63460430     12.49085435    -14.00907794
  H     16.23475979      5.52364606    -15.98611182
  H     19.04188528     10.62439588    -17.29197479
  O     19.95393726     10.74855256    -16.99507504
  H     15.19463805      6.52203451    -16.61280992
  H     17.25316923      8.53394322    -20.23055199
  O     17.17713522      8.22083925    -19.33261245
  H     17.29478898      6.21743810    -12.31908786
  H     17.20038729      9.00540150    -18.75857284
          69
 Energy    -248.76326238415436     
  O     15.20613307     11.90409571    -12.41495160
  H     15.95874713     11.50226475    -11.96213420
  H     14.40165943      6.66908250    -14.44796908
  O     17.23243678      9.72691662     -7.24572650
  H     14.60705752     12.20416054    -11.72117799
  H     11.53265172     10.54355993    -11.78957824
  O     16.87553573      6.09292422    -10.97831910
  H     17.98665011      9.85537505     -7.83497512
  H     11.10293428     10.17399569    -10.36122310
  O     13.40374898      5.38844928    -10.74319456
  H     16.50419720     10.23281841     -7.62906608
  H     14.96568658      9.14773061    -14.53454040
  O     18.85167159      7.04985178     -9.19454642
  H     16.45441202      5.44569779    -11.55572813
  H     16.10680943      8.35516429    -13.80640944
  O     17.08105355      7.03912261     -6.92391173
  H     16.25905599      6.24907692    -10.24969582
  H     19.19350430      8.76882571     -9.29847665
  O     17.07321549     10.57209992    -10.77732404
  H     13.96864434      4.88529137    -11.34406121
  H     20.21032792      9.93428243     -9.28531594
  O     13.45149792     12.58317347    -10.25400477
  H     13.93913485      5.60761006     -9.96756917
  H     14.58699410      7.23657656     -8.81427042
  O     15.14964181     10.90381488     -8.74474332
  H     18.34837444      6.91819976     -8.38161208
  H     15.74025195      6.51054271     -8.07899896
  O     13.93483308      8.06362423    -11.79380790
  H     18.33224607      6.63442372     -9.89482861
  H     12.65992416     10.05492819    -13.85239845
  O     10.80011352      6.16249570    -10.85862391
  H     17.09473711      8.01247689     -6.97286236
  H     12.67738752      9.04055858    -12.69277679
  O     13.90447971      5.85335842    -14.29173746
  H     17.28328665      6.80608925     -6.02197283
  H     11.04451241      6.64827598    -12.77763975
  O     11.40828694     10.90943145    -10.90235876
  H     16.41143739     10.64969205    -10.07679598
  H     11.44195175      7.81466998    -13.69098924
  O     15.26175319      8.26748521    -14.27692002
  H     17.91096244     10.39056162    -10.33305673
  H     10.07808277      8.47404368     -8.73642762
  O     19.27823761      9.73797426     -9.25086084
  H     13.09012296     13.45565348    -10.12123534
  H     10.73082351      7.72056934     -9.91534886
  O     15.09378590      6.41136784     -8.78864078
  H     12.70054595     11.99864947    -10.46035194
  H     14.79100975      4.84421525    -13.25373475
  O     12.08387184      9.56752903    -13.25036347
  H     14.59715676     10.10968037     -8.80152157
  H     15.47688717      3.49382030    -12.92791538
  O     11.34408877      6.85341791    -13.66900517
  H     14.62425607     11.60967717     -9.14038504
  H     14.56384919     11.26736882    -13.87863835
  O     10.78418215      8.52584621     -9.37659370
  H     13.74531036      7.12732994    -11.66495455
  H     14.27051849     11.46768709    -15.38609200
  O     15.24664945      4.33914350    -12.55332883
  H     14.51030463      8.13069188    -12.56678340
  H     13.77570211      8.60030614    -10.12958446
  O     14.16901239     10.85075883    -14.66691521
  H     11.70926129      5.81989442    -10.79734541
  H     12.63823879      8.66977316     -9.08186672
  O     13.59656183      8.69004439     -9.17849297
  H     10.22096536      5.40385828    -10.84013372
  H     17.22494354      9.15087953    -11.95663960
  O     17.31793731      8.39983538    -12.55649138
  H     12.98401773      6.11715232    -14.16053021
  H     17.21978452      7.60623738    -12.01463377
          69
 Energy    -248.76326198948180     
  O     -9.32247011      1.23647948      6.48676981
  H     -9.37928253      2.09587446      6.92109840
  H     -4.55096106     -0.29326098      1.72154250
  O     -7.53330227     -2.30353027      5.23756614
  H     -8.71108286      1.35637347      5.74326336
  H    -10.60712024      0.78940350      5.34364332
  O     -6.50814600      3.17585801      7.36800873
  H     -7.70625657     -1.86933828      6.09310924
  H    -10.76774552     -0.15686259      4.13489147
  O    -13.10345584      2.23492583      5.80983626
  H     -7.52056132     -3.24265350      5.40334389
  H    -12.19883810      5.23233848      6.42731274
  O     -7.60087513      1.56498106      4.35845518
  H     -6.26470951      3.55458326      6.51176683
  H    -11.20783713      5.54652344      5.29739278
  O     -5.41066875      0.69869435      7.42176127
  H     -7.41772566      3.44994273      7.53260134
  H    -12.95657039      4.80591816      4.32932317
  O     -9.32019358      3.86041985      7.37050360
  H    -12.56579140      1.53421201      5.41734702
  H    -14.06711439      4.58105638      3.27393700
  O    -12.12441027      3.85130980      7.78727973
  H    -13.33906545      2.81823458      5.07895837
  H     -8.40651929      1.17243325      1.31633165
  O     -7.52351241      6.02696575      3.42783705
  H     -6.89096331      0.95269125      4.59497524
  H     -7.10112748      0.40009497      1.72850172
  O     -5.09785998      3.12352572      2.11740733
  H     -7.91640765      1.26940572      3.49601463
  H     -8.93027921     -1.70179321      4.01811449
  O    -10.88796526      2.88767042      3.04224553
  H     -4.69853295      0.71287402      8.05582748
  H     -9.08040799     -0.82168765      2.76373851
  O     -5.22374783      0.24806138      2.12780797
  H     -5.81118756      1.58667281      7.43843730
  H     -8.93097888      5.27003696      4.28634470
  O    -11.17452243      0.59870515      4.58118536
  H     -9.33545689      4.21406639      6.46785870
  H     -9.93987377      4.08675326      4.15200099
  O    -12.12098254      5.69359292      5.58311770
  H    -10.23136365      3.91285644      7.68590882
  H     -7.96936282      3.93698518      0.97368477
  O    -13.30465478      4.17343399      3.67481017
  H    -12.67357092      3.77285376      8.56289359
  H     -6.47627204      4.04606695      1.38638986
  O     -8.05958271      0.43652838      1.83612153
  H    -12.46935966      3.21320054      7.13745033
  H     -8.46399002     -0.17136930      7.27193147
  O     -9.58369046     -1.32630576      3.41717215
  H     -7.24720281      6.92777804      3.28617921
  H     -6.98934006     -0.39281813      7.64290448
  O     -9.61066331      4.76737353      4.75266982
  H     -7.45426468      5.56787979      2.57026427
  H     -5.38154517     -0.01171228      5.69868353
  O     -7.27331494      4.56456728      1.19586598
  H     -5.23050935      3.37217864      3.04136526
  H     -6.18789503     -1.08947137      4.91040665
  O     -7.82101267     -0.85956257      7.49754516
  H     -5.06396234      2.16084198      2.10075826
  H     -9.94289144      2.77302775      1.55003259
  O     -5.58788754     -0.33579285      4.81151153
  H    -11.73836591      3.33865823      3.12749963
  H     -9.94663495      2.69451997      0.00507067
  O     -9.37350451      2.67296947      0.76771062
  H    -10.96179820      2.05744019      3.53590295
  H     -6.53696647      4.69314856      4.33997561
  O     -6.11291952      3.89867925      4.68672836
  H     -5.24184839      0.01077217      3.06957565
  H     -6.72646682      3.16275640      4.53453159
          69
 Energy    -248.76318966190902     
  O     18.01621754     11.09454467     -8.77108900
  H     17.60286667     10.42047582     -8.20917413
  H     16.24149929      8.62615605     -7.97039828
  O     17.24619477      5.69033839     -9.66373772
  H     17.69548551     11.94024886     -8.46537659
  H     17.76804715     10.45109440    -10.51391819
  O     19.61030110      3.73956819    -12.31946908
  H     17.68481569      5.22377458     -8.94355569
  H     16.82392995      9.71553912    -11.52616898
  O     20.24696471      6.39734836    -12.93917126
  H     17.88284795      6.33515738    -10.01299596
  H     20.89268169      9.65952864     -8.99600310
  O     20.77098658      7.87144601     -8.62469633
  H     19.97449931      2.91138166    -12.62007429
  H     19.90264063     10.82698211     -9.14488974
  O     16.91345641      4.62892640    -12.17961811
  H     19.93936994      3.87850396    -11.41214143
  H     19.01088569      7.98171778    -15.85961879
  O     22.55163611      7.49089157    -11.83236379
  H     20.03123299      5.45919857    -12.86861791
  H     19.14164752      8.62307506    -14.45438596
  O     18.86602254      7.19635244     -6.74623498
  H     19.80676927      6.76266460    -13.71703358
  H     21.32647666      4.82617238     -9.72068296
  O     13.12239412      7.30684357    -11.13063617
  H     21.51729130      7.28619532     -8.79812699
  H     20.02062703      4.34488288     -9.04423412
  O     22.72686282      6.08394816     -9.54708841
  H     20.15324011      7.75237690     -9.36391504
  H     15.74032487      8.22761170    -12.50094096
  O     18.98997082      7.54655123    -10.71286808
  H     16.93313512      4.93397958    -11.26035699
  H     14.42238646      8.48403319    -11.72787580
  O     16.74153795      9.11059092     -7.28910797
  H     17.76559240      4.20395206    -12.32654452
  H     16.73199865      6.22256352    -13.14294488
  O     17.73998616      9.97890490    -11.35342602
  H     21.81850606      7.09040350    -12.32058435
  H     17.26837491      7.29486502    -14.13294997
  O     20.79488378     10.54600414     -9.37274125
  H     22.39419197      8.44245330    -11.84510758
  H     22.53975921     10.96211386    -11.97023396
  O     18.89475234      7.80744869    -14.92996118
  H     19.60501126      7.50115140     -7.29435682
  H     21.50160773     10.41428322    -10.96627354
  O     20.56054424      4.25084513     -9.83769300
  H     18.15684341      7.83387298     -6.87708429
  H     15.99461294      6.92712139     -9.33132157
  O     15.32034416      8.81903718    -11.85661171
  H     13.52352927      7.15522553    -10.27100065
  H     15.44534561      8.14455224    -10.10858812
  O     16.50475803      7.04392663    -13.60215870
  H     13.38501207      6.55462717    -11.68351729
  H     18.88222065     10.07721247    -12.77005240
  O     21.89792669     10.26784573    -11.84319969
  H     22.73716801      6.58307050    -10.38504122
  H     20.40612959     10.06489333    -12.98867943
  O     15.46668146      7.73324438     -9.23449625
  H     23.63461493      5.89782637     -9.32445144
  H     18.83517038      5.52260273     -7.21268868
  O     19.56440772      9.94149879    -13.44280732
  H     19.42933319      7.18207060    -11.49233366
  H     18.65765525      4.02197157     -6.87635019
  O     18.80928287      4.62760501     -7.59672452
  H     18.57681780      8.38196468    -10.96566559
  H     14.95973929      4.84091915    -12.56501439
  O     14.22723485      5.38818617    -12.87404345
  H     16.15451859      9.21716606     -6.54427752
  H     14.66230522      6.02741781    -13.44972624
          69
 Energy    -248.76221960891175     
  O     10.70613622     11.06914724    -12.49279644
  H     10.05693446     11.59157171    -12.95787009
  H     18.88603888      7.20261241    -15.87567913
  O     14.34690412      7.12858091    -15.32841541
  H     11.54482975     11.21332540    -12.95870478
  H     15.95361152     11.54197261    -15.35544524
  O     16.82514596     10.87059839    -10.59810677
  H     14.81004872      7.18540872    -16.17230119
  H     15.38296022     12.84924063    -15.94848921
  O     18.11070714      8.58717289    -16.66429561
  H     13.60120080      7.74627588    -15.37624796
  H     15.44464516      8.03548120    -14.24388954
  O     12.26835348      8.95873942    -15.32257279
  H     17.13674393     10.15610596    -10.02691872
  H     15.52986894      8.97459262    -12.99020679
  O     15.69932721      6.86124067     -9.69896146
  H     17.53047275     11.02761200    -11.23664935
  H     10.64728246      9.55203667    -11.59131375
  O     13.64532613      5.94453837    -12.89997482
  H     17.94867629      9.36882160    -16.12317433
  H      9.89441629      8.66802746    -10.56991990
  O     14.58389113      9.98649802    -11.85169844
  H     17.26860650      8.36060548    -17.07864289
  H     18.83840770      8.45663295    -10.65479277
  O     15.57520067      7.87066795    -17.76051564
  H     12.51315336      9.70760398    -14.76225637
  H     18.91718054      7.73589057    -12.01488572
  O     16.06981504      4.94251329    -11.79001559
  H     11.72422223      8.36619280    -14.78336465
  H     11.81901237      6.57379948    -13.32113969
  O     17.34757179     10.60652588    -14.77526601
  H     14.81889838      7.19779136     -9.91010439
  H     10.83718130      7.61406392    -12.75019345
  O     19.25433671      6.44592567    -15.38866878
  H     15.86031069      6.14282798    -10.32210896
  H     19.79873651     11.45344976    -12.37201928
  O     15.13689834     11.97471300    -15.65688125
  H     14.41034215      5.48516702    -12.53182867
  H     19.15975040     10.05555744    -12.21520700
  O     16.05040388      8.49925817    -13.65104401
  H     13.90992841      6.23866038    -13.78342888
  H     17.24975788      7.26991067    -13.22048098
  O     10.64347573      8.68022856    -11.16021111
  H     15.31646314     10.35112906    -11.33311277
  H     18.39531123      6.41479618    -13.83682376
  O     19.28893892      8.46954013    -11.50900950
  H     14.15464985      9.27578023    -11.35844991
  H     17.93544216      8.49884760     -8.23266326
  O     11.10402870      7.17363876    -13.56608672
  H     15.00538380      8.65869646    -17.70255592
  H     16.98645982      7.95640630     -9.32510834
  O     18.99548380     10.96389440    -12.52859786
  H     15.46930525      7.51771304    -18.64016664
  H     13.21627631      9.66400048    -16.79610493
  O     17.87585126      6.55357465    -13.03148650
  H     16.38822047      4.04660204    -11.71566885
  H     14.34221653     10.71740940    -16.86110814
  O     17.70905642      8.58660492     -9.15452310
  H     16.76513020      5.45093306    -12.24354110
  H     13.38252306      7.15770488    -11.54480393
  O     13.93772501      9.99109660    -17.35072415
  H     17.97987976     10.85686475    -14.09061931
  H     12.36739493      8.06826833    -10.80058237
  O     13.28793213      7.77954701    -10.80773291
  H     16.88676849      9.82700259    -14.42424712
  H     13.76127720     11.56140495    -14.42272028
  O     13.13556044     11.16581179    -13.80612015
  H     20.12720020      6.30482578    -15.74501861
  H     13.65857061     10.79637659    -13.07569701
          69
 Energy    -248.76171745615375     
  O      0.87555452      1.58474297      0.78583325
  H      0.44931905      1.89510029     -0.02205821
  H     -3.35546967      4.39012084      3.44304458
  O     -1.18977852     -0.65491020      3.29116238
  H      0.73505383      0.62991210      0.81044924
  H     -2.22091997      4.06570345      0.66867438
  O     -4.15299467      0.58545853      0.25100111
  H     -1.84163426     -1.29665082      3.59599801
  H     -3.32558992      3.74439600     -0.37161695
  O     -2.67267920     -2.77540451     -1.29702458
  H     -1.70692257      0.11639020      3.00645735
  H     -5.50236112      3.76324867      2.64545835
  O     -0.01363029     -1.10524975      0.86036570
  H     -4.51928682      1.39893149     -0.11616003
  H     -6.27603112      2.44362536      2.38392535
  O     -6.43208961      0.82917832      3.22470955
  H     -3.36090540      0.35201977     -0.25388073
  H     -0.94704581      3.84883080      2.72185001
  O     -2.28552618      1.40673530      6.58445183
  H     -1.90468870     -3.18983731     -0.88385866
  H     -2.19924802      2.98424989      2.49420480
  O     -1.80834087     -0.10129299     -1.02100414
  H     -2.44679300     -1.84045513     -1.38265583
  H     -5.75415208      3.39418055     -1.12906536
  O     -5.13771674     -1.39016776      1.88737564
  H     -0.04795276     -2.04911842      0.66515573
  H     -5.47883881      3.22694752      0.38622149
  O     -2.66946432     -4.25703472      2.01658668
  H     -0.37744685     -0.99587560      1.75247714
  H     -4.04643992     -1.88844570      3.22126093
  O     -0.60449431      2.37833631     -1.53318808
  H     -5.80621790      1.03574735      3.93332011
  H     -3.87864263     -2.20381129      4.72515093
  O     -4.20713192      4.46643267      3.90479505
  H     -6.13305060      0.00417546      2.82644647
  H      0.84837907      2.59658824      2.19541643
  O     -2.38861463      3.95499653     -0.27569848
  H     -2.01223955      1.34541482      7.49548492
  H      1.62912141      3.60851300      3.06379309
  O     -6.02949288      3.29394144      1.99025388
  H     -1.46757504      1.40398234      6.05893619
  H      0.24841443      1.95125189      4.36609892
  O     -1.88744244      3.90468990      2.51551557
  H     -1.19740955     -0.44769482     -0.35344190
  H     -0.30088211      0.51282354      4.45162390
  O     -5.09324012      3.11251338     -0.50296386
  H     -1.41783276      0.71962291     -1.34446276
  H     -4.38460462      2.74526216      4.70357581
  O     -3.43063352     -2.24524864      3.88370336
  H     -5.17606151     -2.18817184      1.34554759
  H     -3.68809074      1.62910461      5.53294459
  O      0.78414021      3.17524888      2.97698880
  H     -4.83401685     -0.68786237      1.29211561
  H     -4.08633769     -3.28885777     -0.40048918
  O     -0.06843570      1.28471660      4.98579614
  H     -3.44113013     -4.18414446      1.44009057
  H     -5.36250688     -4.16080564     -0.32804539
  O     -4.36972845      1.79277261      4.86379677
  H     -2.85358907     -3.67792723      2.76587359
  H     -1.25882034     -4.01481693      1.00499442
  O     -4.78107898     -3.61858082      0.19800757
  H     -0.26629966      2.82795784     -2.30251595
  H     -0.03245820     -4.61006927      0.27350697
  O     -0.56416831     -3.82240008      0.34977588
  H     -1.24181792      2.98190737     -1.10982274
  H     -3.37181849      1.14476812      1.78211852
  O     -2.86093066      1.36997200      2.56953280
  H     -4.22681988      5.33236825      4.30419357
  H     -3.45988246      1.43044290      3.32687504
          69
 Energy    -248.76171456018454     
  O     13.75432840      7.10574752    -14.22970956
  H     13.94021288      6.42246201    -14.88846827
  H     18.05573332      4.75778717    -15.74706852
  O     17.71551955     11.97098822    -12.32708628
  H     14.50234869      7.72163439    -14.23286508
  H     15.00532099     12.18518354    -17.60155159
  O     17.05496490      7.63582914    -17.52278484
  H     17.68969877     12.90174448    -12.12151334
  H     15.61370767     11.04222040    -16.75555676
  O     11.99936211      9.22799399    -14.52265065
  H     16.79268120     11.66202738    -12.34270862
  H     16.22563288      9.22105470    -14.89291155
  O     16.31354866      8.54881972     -9.87703648
  H     17.25019336      6.88185338    -16.95467945
  H     15.68095414      9.53429054    -13.47326561
  O     13.64998523      6.47131709    -11.59345844
  H     16.16602536      7.48304963    -17.86961556
  H     20.82400501      8.27548832    -12.55812776
  O     15.19595302     10.96956837    -12.44363109
  H     12.54799286      8.43410149    -14.43241615
  H     19.48699577      8.83357035    -12.00896687
  O     14.35653776      7.16864167    -18.29899124
  H     11.53476485      9.32326538    -13.68330106
  H     10.46888941      5.91610925    -11.45992338
  O     16.35637487      5.91143996    -11.06663694
  H     15.42046340      8.87370788    -10.03480548
  H     11.87371971      6.51177699    -11.26820955
  O     16.98926598     10.07193956    -16.31495924
  H     16.31888240      7.63188130    -10.17633776
  H     19.34775557      9.77702473    -13.99572758
  O     14.55606083      5.33702183    -16.14813963
  H     14.52440057      6.14494056    -11.35409148
  H     18.58059997     11.09110180    -13.77903147
  O     17.39209033      5.44095820    -15.68912097
  H     13.65412593      6.61771973    -12.55367687
  H     17.02113767      7.56648579    -13.56366866
  O     14.78682980     11.51246744    -16.96228829
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  H     18.48988260      7.28666462    -13.14189949
  O     15.89084289      8.81586792    -14.08256319
  H     14.58604252     11.30878180    -13.11877739
  H     17.84273480      9.35386106    -10.43260581
  O     19.89518371      8.35458732    -12.75568368
  H     13.99417163      7.03364264    -19.17051210
  H     18.36648334     10.57212477    -11.23173067
  O     10.92604511      6.71884522    -11.22161566
  H     13.85966768      7.90671288    -17.90316775
  H     12.54810589      9.26502123    -16.36920906
  O     18.95444347     10.52144355    -14.46399008
  H     16.83824480      5.18130296    -10.68596617
  H     13.59156174     10.06816513    -17.17633186
  O     17.64147366      6.86006535    -13.32288181
  H     16.83936964      6.18317938    -11.86425168
  H     13.73049907      8.26267656    -11.12180821
  O     18.63528410      9.73286924    -10.83923427
  H     17.12685961      9.24782527    -16.80691536
  H     12.77483331      9.45776863    -11.12530497
  O     13.05202865      9.26753422    -17.19145277
  H     17.76733020     10.25786481    -15.76893490
  H     13.91955113     11.71324852    -15.29931466
  O     13.68248720      9.20711181    -10.91707652
  H     15.50795793      5.25547655    -16.01195784
  H     12.93728839     10.84434198    -14.48509415
  O     13.49894936     11.62979924    -14.43479878
  H     14.44560600      5.87216999    -16.94582514
  H     10.22856001      9.85481418    -11.49806043
  O     10.97679392      9.37949966    -11.85038543
  H     17.51892262      5.88239231    -14.83427562
  H     10.85409189      8.44382303    -11.61270872
          69
 Energy    -248.76171386702075     
  O     -0.92461585     -1.14375652      3.60701362
  H     -0.66364420     -0.74806390      2.76543412
  H      0.22158317      4.41241635      2.36575714
  O     -0.59813222     -0.24566030      7.80328374
  H     -1.82297316     -0.81974886      3.78381157
  H     -0.58436348      3.50949007      4.49820967
  O     -6.01156283      0.69022082      1.81943845
  H     -1.12255300     -1.00363469      7.48769578
  H     -0.61976726      2.08262388      5.08805064
  O     -5.19285431     -1.81659664      2.69592391
  H     -0.18183977     -0.51899229      8.61619417
  H      0.07587370      4.34494781     -0.13930563
  O     -3.29047102     -3.58732502      1.56801983
  H     -6.03651110      1.21580770      2.62547101
  H     -1.06573935      3.67220392      0.63871504
  O     -0.34505747      0.33129701      1.30545545
  H     -5.91038999     -0.23161824      2.09968868
  H     -1.85860763      1.15985805      7.53797272
  O     -2.37035013     -1.38468254      0.28849281
  H     -4.53890685     -1.23961067      3.12374002
  H     -2.06482852      2.34688198      6.57608209
  O     -2.15666765     -2.26968179      6.90387688
  H     -4.68072528     -2.47565564      2.21115234
  H      1.31258165      2.56396498      3.00036373
  O     -4.97102877     -1.93809744      7.38324223
  H     -2.89697405     -2.83140547      1.09504002
  H      1.34010307      1.24760644      3.78722174
  O     -4.97589917     -3.29401410      5.07119005
  H     -3.33618208     -4.30613419      0.94328540
  H     -3.80560357      0.02209338      4.84429124
  O     -2.25980444      2.34835164      0.76956101
  H      0.40434079      0.75100419      1.75321302
  H     -3.33687897      0.76691083      3.57494866
  O      0.55783593      4.34927409      3.27606500
  H     -0.97046747      1.04220406      1.11244064
  H     -4.91241295      0.74560119      0.46007953
  O     -1.13482290      2.89918654      5.00454099
  H     -3.03426664     -0.72185865      0.06360567
  H     -4.78055029      0.73894992     -1.07917095
  O     -0.36611203      4.34194249      0.70641588
  H     -1.57390999     -0.89745596      0.53344862
  H     -4.01317918      1.07996862      6.71684684
  O     -2.50849756      1.81154407      7.24602424
  H     -2.13074853     -2.77904929      6.08658538
  H     -4.92301452     -0.19723373      6.75805073
  O      1.51046713      1.62461156      2.91375502
  H     -3.08732116     -2.18238122      7.14340995
  H     -6.54568885      2.79081658      4.67400486
  O     -3.41436780     -0.11024703      3.97136821
  H     -5.47129346     -2.37612564      8.06616851
  H     -5.56880313      1.66060567      5.06680303
  O     -4.27238511      0.71067786     -0.27259189
  H     -5.07720754     -2.46661419      6.57029321
  H     -1.62989049     -2.75499574      4.05844002
  O     -4.76712945      0.63504606      6.29621660
  H     -5.30885739     -2.83210650      4.29145735
  H     -2.59265049     -3.70237328      3.36231086
  O     -5.85282905      2.23114950      4.33234744
  H     -4.04656435     -3.46873060      4.87149698
  H     -0.02341836     -0.10321029      4.74854712
  O     -2.25130562     -3.47686642      4.23744566
  H     -2.63464243      2.50682761      1.65050725
  H      0.21492119      0.31588984      6.21626315
  O      0.38940353      0.57553990      5.30421075
  H     -2.93154219      1.86501579      0.27435956
  H     -4.13952355      2.68322321      3.67329527
  O     -3.26348833      2.59718676      3.27896419
  H      1.10021282      5.12035024      3.42170180
  H     -2.58787649      2.76212310      3.95333927
          69
 Energy    -248.76152814899530     
  O     10.23838145     10.82164204    -10.52516785
  H     10.63035770     10.03195637    -10.94076136
  H      9.68823948     10.80048963    -17.48465010
  O     14.43835639     10.93243573    -12.73637155
  H      9.37152738     10.57001419    -10.21796901
  H     14.24784970     13.69116820    -14.19844524
  O     17.22287841     12.65349440    -14.21107893
  H     15.38214331     11.01823564    -12.54694199
  H     14.02400218     14.19918346    -15.63209124
  O     10.95312709     12.18315473    -12.89877776
  H     14.04794170     11.80978346    -12.65534305
  H     17.96305111     10.64624519    -17.03410598
  O     12.47932892     14.75973469    -16.56554940
  H     17.40850899     12.01145574    -14.90832100
  H     16.52900888     10.91344901    -16.52609031
  O     14.81936536     11.43287102    -16.65537012
  H     16.44867120     13.14912834    -14.50266163
  H     13.25955038     13.33672844     -9.58551178
  O     14.33178699      9.95350347     -8.79197456
  H     11.12142030     11.39832764    -13.44174907
  H     13.76243169     14.78952961     -9.38630482
  O     13.37340362     13.47598755    -12.63489213
  H     10.60831983     11.85921332    -12.05904035
  H     16.65992816      8.21597053    -14.00311113
  O     13.95256351      9.43718877    -14.96506724
  H     11.72491868     14.39626387    -16.06773290
  H     16.90414152      8.99398002    -15.31990975
  O     16.93031803      8.32646690    -12.10236533
  H     12.22652357     15.63565328    -16.84482525
  H     15.38862117     12.84722010     -9.82244061
  O     12.35617828     11.97103096     -9.05206880
  H     14.44493990     10.70114992    -16.14244442
  H     15.51542561     11.39248715     -9.34118086
  O     10.30023831     11.09711676    -16.81634482
  H     14.77201841     12.22259258    -16.09596587
  H     12.20939588      9.63889273    -14.72114172
  O     14.65809025     13.73047731    -15.07476963
  H     14.47716259      9.33914556     -8.07674689
  H     10.87431586     10.19368291    -15.27459643
  O     17.42080166     10.64194258    -16.24884240
  H     14.27269086      9.42773866     -9.60621804
  H     12.47933598     13.17227890    -17.65763519
  O     13.85098545     14.02310966     -9.94625082
  H     13.53406134     13.77299027    -11.73033359
  H     13.32080813     11.88972113    -17.68745512
  O     16.41998133      8.25171295    -14.93708295
  H     12.47142881     13.12708267    -12.68581500
  H     11.33234129      8.98692127    -12.78224775
  O     16.00933331     12.11267888     -9.75163925
  H     14.11942332     10.00019611    -14.19194097
  H     12.31489259      8.53474950    -11.66658457
  O     11.30625854      9.88434616    -14.46896250
  H     14.71499022      8.84550558    -15.02962703
  H     17.29082148     11.69369581    -12.70779081
  O     12.47258387     12.25807168    -17.96753934
  H     17.69696888      7.89838915    -11.72939268
  H     16.86821942     11.50387174    -11.19388399
  O     11.39509880      8.76277287    -11.84409374
  H     17.09204629      9.28513411    -12.04521921
  H     10.20609818     12.75181731    -15.83834602
  O     17.13305184     11.04482612    -12.00569175
  H     11.59258151     11.59510018     -9.50671034
  H     10.48161652     13.21465107    -14.40108874
  O     10.39453409     13.53594945    -15.30744120
  H     12.96470254     11.23974274     -8.88646111
  H     14.15657850      9.51374538    -11.72832795
  O     14.21422512      8.67879577    -11.23456158
  H     11.07876159     11.44726050    -17.28565145
  H     15.06725215      8.30601765    -11.48573677
          69
 Energy    -248.76125813605870     
  O     14.50584106      6.30152556     -8.88722553
  H     13.67533893      5.89562649     -9.16321145
  H     11.95704119      7.29118657    -14.67574871
  O     14.75633596      6.67585764    -16.59141004
  H     15.21795691      5.83260901     -9.34181540
  H     16.26475359     10.47949330    -12.93229364
  O     18.14249077      8.09756052    -14.38659885
  H     14.41217647      6.26455355    -17.38051564
  H     15.67200679      9.03357478    -12.86876669
  O     15.56514936     12.05929760    -13.34324661
  H     13.99175110      7.01431591    -16.09583535
  H     14.42062370      7.07073985    -12.63030278
  O     10.66993310      6.54709819    -13.57108670
  H     18.84072960      7.85834862    -13.76840890
  H     13.78580423      8.37739439    -12.02497675
  O     18.40536545      4.78140216    -12.52769058
  H     17.55574812      8.68572924    -13.88276841
  H     12.12478263      4.82718348    -10.66606932
  O     12.25919985      4.44774435    -12.36410454
  H     15.43977245     11.93258172    -14.29342411
  H     11.57229815      4.52250081     -9.25415170
  O     17.36983930      8.26729646    -10.55060278
  H     14.68334056     12.03630774    -12.95169193
  H     20.43209286      7.57220928    -11.62127376
  O     12.88241097     11.61568931    -12.38571351
  H     10.76268458      6.95181817    -12.68928572
  H     18.90921907      7.69874537    -11.41458120
  O     15.10244310     11.34982947    -16.07300155
  H      9.73460925      6.43978371    -13.72328296
  H     15.47267440      5.38778882    -13.37834960
  O     12.65968485     10.55847218    -14.87521114
  H     17.91082820      4.90025272    -13.34704295
  H     15.42533681      5.31418336    -11.83017328
  O     12.74475039      7.71863260    -15.03485897
  H     18.94013332      5.57879326    -12.42233537
  H     15.87498684      8.22266065    -16.59636770
  O     16.48832850      9.55013112    -12.79305338
  H     11.72676264      5.05142134    -12.89444244
  H     17.15357263      8.72976236    -15.89810862
  O     14.24375656      8.00770558    -12.79076883
  H     13.18541760      4.66848131    -12.54272553
  H     17.19140311      6.53936743    -14.59749994
  O     12.05263361      5.17383224     -9.75881734
  H     16.75845966      8.53932280     -9.85645476
  H     16.04763271      5.90850104    -15.41514800
  O     19.59018769      7.36221160    -12.01875654
  H     17.09816929      8.76853412    -11.33598630
  H     11.30990636      6.76632380    -10.50446691
  O     14.87176607      5.33858298    -12.62207028
  H     12.73537050     11.21675787    -13.26288374
  H     11.64201435      8.23003278    -10.85660777
  O     16.42164273      9.00625814    -16.46297750
  H     12.24492342     12.31994151    -12.29699301
  H     17.29821707      5.07769822    -11.09547021
  O     16.66682948      5.73166983    -14.69652047
  H     15.59711868     10.52404062    -16.21619239
  H     16.90227221      6.44919402    -10.50846842
  O     11.03008335      7.50913541    -11.05386152
  H     15.25796888     11.89521831    -16.83975710
  H     15.21069763      9.22034575     -7.93504209
  O     16.66013423      5.51272637    -10.51119102
  H     13.44332283     10.83949489    -15.36603448
  H     14.89054727      7.97031675     -8.79136750
  O     15.17459119      8.90333114     -8.83384330
  H     12.56502153      9.61307036    -15.04040112
  H     13.06066188     10.23128634    -11.16679255
  O     13.07645988      9.38717907    -10.69526425
  H     13.31827649      7.88653806    -14.26864765
  H     13.79387463      9.39453887    -10.05032387
          69
 Energy    -248.76122738523227     
  O     14.31516334      9.73992966    -10.59355864
  H     15.04490992     10.04362472    -10.03915543
  H     18.06188030      5.22558990    -11.91637486
  O     13.27506511     10.22532111    -16.56927387
  H     14.21295722     10.32928906    -11.35309519
  H     12.25095885      7.37467023    -10.81708700
  O     16.73823521     10.81316918    -13.73058137
  H     13.19686257     11.09381439    -16.15514842
  H     13.11462054      8.46299905    -10.14116041
  O     13.61097792      5.02449876    -13.20894350
  H     13.09103335      9.58147687    -15.87312976
  H     18.59295017      8.02616961    -15.04930818
  O     16.85830982      7.35938396     -8.76932209
  H     17.26127889     10.84763855    -12.91715623
  H     20.12382291      7.80255413    -15.06484715
  O     16.11243661     12.42565313    -15.94089918
  H     15.80796248     10.81551428    -13.46944486
  H     14.45114247     12.73041478    -15.46029242
  O     15.74592836      7.75418809    -11.97000998
  H     14.21169299      5.44104920    -13.83764457
  H     13.18338376     13.59983962    -15.27042770
  O     14.00900889     10.87030012    -13.09543783
  H     14.12426383      4.89433837    -12.39821634
  H     13.88397523      7.92511044    -14.48255713
  O     18.58110606      7.97096106    -11.88514551
  H     17.35156416      6.73812385     -9.31124319
  H     12.52823939      8.02883679    -13.74790370
  O     18.07651842     10.63250072    -11.35387596
  H     16.00604241      6.94221115     -8.58350567
  H     14.84358850     10.11618308    -17.33258490
  O     17.90362835      5.23282058    -13.77802309
  H     16.49592094     11.99628349    -15.16270316
  H     15.70843117     10.07032182    -18.61483465
  O     17.93410539      5.43161674    -10.97708782
  H     16.11592610     11.75614457    -16.63522783
  H     10.81333008      6.48064613    -12.70535864
  O     12.61695799      7.65018640     -9.96943920
  H     15.25997164      8.43621502    -11.49246606
  H     12.31614174      6.12156449    -12.79332188
  O     19.32365641      7.56712367    -14.60234475
  H     16.69017344      7.94273373    -11.89524244
  H     13.81880101      5.85972877     -7.64107211
  O     13.52376176     12.71635783    -15.16152935
  H     13.74924038     11.59084014    -13.68233847
  H     13.61846621      6.71469133     -8.91730724
  O     13.13482083      8.51264925    -14.32259792
  H     13.67757574     10.05176418    -13.49332277
  H     14.78112345      5.35723607    -10.00930431
  O     15.75960611     10.12461194    -17.66445413
  H     18.91677846      7.84695880    -12.78162058
  H     15.33837664      6.12374636    -11.22724805
  O     11.68959561      6.83625525    -12.57933119
  H     18.50264238      7.09233088    -11.48784612
  H     15.99695644      7.42830578    -15.01987262
  O     14.26693797      6.18669129     -8.41590209
  H     18.41952058      9.73582247    -11.48263619
  H     15.52856122      7.14442683    -13.57509260
  O     15.15349268      5.23208443    -10.89026697
  H     17.61332481     10.60078655    -10.50946760
  H     16.73581305      9.12084070     -8.88801740
  O     15.44357545      6.83580706    -14.49450555
  H     18.51387824      5.88459396    -14.14597360
  H     16.73729618     10.46274830     -8.12164581
  O     16.58233324     10.07783504     -8.98038992
  H     17.03398931      5.52002729    -14.07305266
  H     16.71718851      9.19259444    -16.39331265
  O     17.09109797      8.81981288    -15.58576134
  H     17.01843197      5.16803506    -10.81433918
  H     16.99672992      9.49667135    -14.89636143
          69
 Energy    -248.76120997098985     
  O     15.44584366      8.60747248    -15.48561633
  H     16.13038010      8.48299951    -14.81312209
  H     12.51989633      9.19981457    -13.65456350
  O     14.25778770     12.07034019    -14.88806427
  H     14.67206572      8.91699231    -15.00172330
  H     16.42362757      9.08607734    -18.44939588
  O     20.02757717      9.96459063    -10.85087788
  H     13.76788374     11.33125208    -14.51196130
  H     16.06831890      9.31516377    -16.96444158
  O     20.41286743     12.21402062    -12.33499458
  H     15.19176077     11.87485528    -14.71250263
  H     18.87434788     15.97687956    -13.68109241
  O     14.49104506      9.84397643    -11.25022047
  H     20.24342817     10.80727935    -11.28809932
  H     19.52972273     17.31333833    -13.27135827
  O     17.22311208     10.36787097    -11.05801875
  H     20.67230334      9.84103413    -10.15881386
  H     19.93755378     11.30530240    -15.59636063
  O     17.35928887      8.82989627    -13.48061341
  H     20.44023238     11.85922562    -13.23529469
  H     21.28527861     11.97891387    -15.20478459
  O     14.83049166     12.12045629    -17.62931148
  H     20.91994061     13.03819475    -12.34743656
  H     15.33571926     13.76734484    -17.74679765
  O     18.19127708     14.19400460    -16.66346560
  H     15.43683853     10.00367392    -11.11327461
  H     15.26926518     15.15332770    -18.43347015
  O     21.73506767     14.53335484    -12.84031176
  H     14.07975466     10.00471598    -10.40362005
  H     19.77027776     15.07572906    -16.47527933
  O     18.38202014     11.42738235    -16.58484912
  H     17.26873307     11.29501647    -11.33330009
  H     20.37128824     15.95984468    -15.36544067
  O     13.35973843      9.64015418    -13.75925927
  H     18.12780455     10.12048458    -10.82876012
  H     17.80114727     14.61391389    -14.89631725
  O     16.43353000      9.74390370    -17.75914154
  H     18.31497115      8.72437386    -13.60389993
  H     16.50433933     15.01582004    -14.18077772
  O     19.72476744     16.43980021    -13.60162721
  H     17.23708082      9.18351290    -12.59212964
  H     21.73641679     14.21276163    -15.81113322
  O     20.65523015     11.29268546    -14.94878782
  H     14.50096061     12.06079227    -16.72134125
  H     23.14446384     13.58897090    -15.96333024
  O     15.63615660     14.69275921    -17.68402714
  H     15.35418550     11.32471533    -17.77464165
  H     20.21443092      9.11421053    -12.63373655
  O     20.59810717     15.47121661    -16.16541155
  H     18.29911164     13.23834349    -16.76053493
  H     20.41876397      9.60354643    -14.08724679
  O     17.46006827     14.93188841    -14.04843328
  H     17.35575152     14.43242839    -17.08555229
  H     17.00979887     10.51274391    -14.09596387
  O     22.32351329     13.50671615    -15.48526534
  H     22.07154395     14.24081037    -13.69692797
  H     17.18517947     11.97303912    -13.58036361
  O     20.09738470      8.86222528    -13.55738947
  H     21.10065123     15.23663985    -13.02820685
  H     14.50225122     13.95056837    -14.78904542
  O     16.88425182     11.44274820    -14.32842175
  H     17.88452420     10.82762647    -17.15170847
  H     15.02858380     14.93901395    -15.83772093
  O     14.85952419     14.84281244    -14.89231757
  H     17.84887923     11.50063121    -15.77543087
  H     17.60252135     13.70646653    -12.67992716
  O     17.74595401     12.91172311    -12.14822767
  H     13.75943912      9.68958377    -12.87463258
  H     18.69972805     12.74133113    -12.15789229
          69
 Ord_Energy   -248.761093    
 O   -3.60965061       5.71048737       7.05560827    
 H   -3.80901146       5.22120667       7.86667633    
 H   -4.45224333       5.98151445       6.67142439    
 O   -3.58680391      0.202440217       6.70584488    
 H   -4.27569818      0.812679589       6.38926077    
 H   -4.02330971     -0.609612048       6.94927025    
 O    1.13541055       3.57803035       9.73159599    
 H    2.08273602       3.49247122       9.66300297    
 H   0.776545525       3.45860648       8.83594990    
 O   -1.89410412       1.31404495       4.75126266    
 H   -2.21585298       2.21693993       4.91742897    
 H   -2.36472535      0.743306816       5.36919785    
 O   -2.34496474       2.10014963       8.43855286    
 H   -2.70309329       1.38794959       7.89846134    
 H   -1.60086560       2.49428439       7.96114922    
 O   -3.11456132       1.71630871       2.20905042    
 H   -4.04026365       1.88874388       2.41939425    
 H   -2.69726038       1.42177689       3.02839589    
 O   -5.65655994       5.15858364       3.45459962    
 H   -5.77671289       4.23457861       3.21245980    
 H   -4.74694681       5.38237143       3.20744443    
 O  -0.807644844       6.50108957       4.31161690    
 H  -0.222533837       5.82487440       3.93773580    
 H  -0.709227264       6.44811678       5.26893091    
 O  -0.874154210       6.01050282       7.12976360    
 H  -0.648960471       6.17461205       8.05682182    
 H   -1.84035647       6.04706097       7.07942438    
 O   -5.24089956       2.15730000       5.73914099    
 H   -5.77866459       2.62192059       6.39753389    
 H   -4.50380945       2.74740934       5.51701975    
 O   0.716412842       2.07037163       4.90606737    
 H  -0.170414612       1.68820453       4.79018354    
 H    1.34451294       1.37634754       4.72200727    
 O   -2.57586265       4.88743258       11.4059715    
 H   -2.73836827       5.07209682       12.3272858    
 H   -2.09382033       4.04161549       11.3686695    
 O   -4.14680195       4.08002806       9.21694469    
 H   -3.57497692       3.34826279       8.94168758    
 H   -3.75204372       4.44328928       10.0192385    
 O   -3.04537725       3.74507141       5.18413687    
 H   -2.99942684       4.26175165       4.36843538    
 H   -3.15786457       4.38517237       5.89802933    
 O  -0.111835152       3.35534787       7.27837610    
 H   0.253595740       2.98306870       6.46820879    
 H  -0.361059695       4.27721310       7.11130905    
 O   -1.55867028       3.71661901       1.23385990    
 H   -2.10822463       2.96066833       1.50483871    
 H   -1.48522997       3.67934752      0.283889800    
 O   -1.20195842       2.57097888       10.9882412    
 H   -1.63069332       2.23088694       10.1912794    
 H  -0.312830269       2.82605815       10.7094154    
 O   -2.93751431       5.45337009       2.99031878    
 H   -2.24700880       5.96369600       3.44449329    
 H   -2.50547934       4.96381664       2.28061390    
 O   -6.45498896       3.74361229       7.57928991    
 H   -6.48167229       4.57554388       7.08861303    
 H   -5.79171371       3.85936928       8.27287865    
 O   -6.16202211       6.08943558       5.94898462    
 H   -6.02505350       5.76466465       5.04113865    
 H   -6.69317389       6.87824821       5.87948132    
 O  -0.394198358       6.02622843       9.85560036    
 H   0.219484434       5.28655338       9.94125938    
 H   -1.16370368       5.78492117       10.3843966    
 O   -5.80596828       2.27846885       3.04971457    
 H   -5.72744989       2.14618516       4.00900269    
 H   -6.61089182       1.84384990       2.77722335    
 O   0.517847776       4.34272099       3.13632369    
 H  -0.104169339       4.07538414       2.44811511    
 H   0.646552622       3.57187486       3.69955039    
          69
 Energy    -248.76085620671572     
  O     11.67624842     10.00080250    -10.79812248
  H     11.19984031      9.27887842    -11.22767392
  H     15.45961720      5.78449020    -16.72113186
  O     13.66054278      7.09668902    -14.65563964
  H     11.99286475     10.56928113    -11.51005519
  H     17.35610728      6.99419595    -16.60826987
  O     17.77082530     10.90856101    -11.29996386
  H     13.87468918      6.56513965    -15.43095265
  H     17.25504598      6.12552071    -15.32413355
  O     17.39489270      8.75169258    -17.49073651
  H     14.41863202      7.67274628    -14.47281272
  H     14.74659597     12.94497142    -15.63120422
  O     11.68287560      8.98868377    -14.46799013
  H     18.05029717     10.20110594    -10.70580148
  H     15.45623800     11.59766272    -15.38020428
  O     16.21800869      6.99795891     -9.65293632
  H     16.81571187     10.79512258    -11.40743511
  H     15.56277669      9.15920465    -13.07940286
  O     13.21143311      6.36246218    -12.04646398
  H     17.88608367      8.78750472    -18.30723710
  H     16.15512301      9.29219061    -14.50515185
  O     15.11947480     10.22296982    -11.71431059
  H     16.45365470      8.65237934    -17.73173665
  H     19.28030180      8.74217195    -13.01211839
  O     14.79103868      8.39191516    -17.98982597
  H     11.12495064      8.60818298    -13.78114229
  H     18.70224117      7.31185718    -12.86824040
  O     15.67147248      5.07928911    -11.45154828
  H     12.36441631      8.31859739    -14.63556458
  H     11.51337446      7.09657503    -12.04251985
  O     16.96017824     10.60851190    -15.48383761
  H     16.99294434      7.57076246     -9.70015496
  H      9.97782797      7.07207722    -11.89520396
  O     14.50818780      5.73578308    -16.92850398
  H     15.43805070      7.56628399     -9.60739995
  H     18.59747551     10.78154768    -12.80611609
  O     17.10438957      6.12359652    -16.27913403
  H     13.34392824      6.57358115    -12.98349731
  H     19.85437630     11.11200308    -13.64687732
  O     14.60184281     12.05484512    -15.31822810
  H     13.95385069      5.79585694    -11.80382244
  H     16.71732977      7.19611379    -13.58537048
  O     15.76537325      8.66510775    -13.88532153
  H     14.74438439      9.60336810    -11.07454186
  H     16.73678948      5.83624260    -12.84564945
  O     19.33413100      7.93631090    -12.48624255
  H     14.37421325     10.63275781    -12.17456895
  H     19.32052303      8.43862521     -9.34298615
  O     10.71035434      7.63330854    -12.13852957
  H     14.54282186      7.49483507    -17.74126274
  H     18.90250279      8.26852464    -10.82345122
  O     19.04776104     10.60286684    -13.65272413
  H     14.12399282      8.98483569    -17.61400142
  H     12.38011665      9.80067893    -16.09211256
  O     17.22292690      6.37449368    -13.48043086
  H     15.84263058      4.21556249    -11.08549539
  H     13.50006210     10.83038612    -16.32478473
  O     18.58550587      8.53855307     -9.94269727
  H     15.91883344      5.72876500    -10.76667780
  H     13.05578033      8.98374066    -10.14567520
  O     13.01151792     10.11541881    -16.74943358
  H     17.72960917     10.65901640    -14.89923405
  H     13.60758050      7.67949960    -10.76127513
  O     13.80992842      8.37652160    -10.12221271
  H     17.18598675     10.03124204    -16.22678668
  H     13.47037546     11.58378925    -13.86363331
  O     12.95802663     11.13208849    -13.18155859
  H     14.36436921      4.91182480    -17.38488809
  H     12.50150282     10.40667353    -13.63204413
          69
 Energy    -248.76074738139567     
  O     -4.53802189     10.63576431     -7.68912105
  H     -5.07922659     10.20810837     -8.37040779
  H     -1.54000353     10.19251178    -12.57798540
  O     -4.05568594      8.03446722    -12.81435203
  H     -4.74301389     10.17513407     -6.86619084
  H     -0.10649283      7.73577355    -10.54097551
  O     -5.96710194      9.57849512     -9.85159724
  H     -3.23972912      7.63944741    -13.14294079
  H     -0.82158733      6.90148278    -11.62062744
  O     -7.56824787     11.32721468    -12.84660720
  H     -3.79656655      8.88727622    -12.43170385
  H      0.99204017      9.96019136     -9.59919403
  O     -7.86231475      9.01225131     -7.01032771
  H     -6.92655126      9.65439933     -9.86194394
  H     -0.54070195      9.80722685     -9.69720771
  O     -6.06794139     12.78949440     -8.72549796
  H     -5.64886994     10.30588527    -10.40313006
  H     -4.99496995      8.15610126     -5.97271422
  O     -8.21701106      6.97227232     -8.83401238
  H     -7.26396574     10.42550019    -13.06224845
  H     -5.25863131      8.91815179     -4.65224591
  O     -1.39645559      7.28425690    -13.43653679
  H     -7.91616596     11.70340270    -13.65014574
  H     -5.61650613      5.82319977     -9.31747182
  O     -4.96472483      7.06923872    -10.39959099
  H     -8.07956169      9.92414661     -7.23334602
  H     -5.81030645      4.35996876     -8.85405703
  O     -6.79139464      8.77067663    -13.20841724
  H     -7.05779802      9.03919750     -6.47908069
  H     -9.42601992     11.99511803     -7.85677770
  O     -4.35859197      6.75529957     -6.75795484
  H     -5.45393872     12.23156828     -8.22931440
  H     -8.75460289     11.14125319     -8.95592462
  O     -0.67507160      9.83590666    -12.82682151
  H     -6.94794093     12.49027425     -8.46590819
  H     -5.61415173     12.40306061    -10.42639907
  O     -0.54265392      6.88885041    -10.69728580
  H     -8.13952319      7.66038272     -8.15663519
  H     -6.11094682     11.92269131    -11.83763385
  O      0.29650949      9.60563378    -10.14730953
  H     -7.54528118      6.31017573     -8.63700394
  H     -9.41816347      7.05651974    -11.70673393
  O     -5.36562220      8.97587084     -5.59758471
  H     -1.08683222      8.20033964    -13.31488006
  H     -8.53063636      7.31903985    -10.46806653
  O     -5.96873954      5.26594352     -8.60109555
  H     -0.94993664      6.94426768    -14.20745710
  H     -8.89090174      9.36168738    -10.78692901
  O     -8.60246448     11.57922403     -8.10088420
  H     -5.37600338      7.90381158    -10.12811421
  H     -8.41099988     10.74463971    -11.28199089
  O     -5.34695108     11.96732503    -11.25029122
  H     -4.63627385      7.22079138    -11.29483563
  H     -2.34832121      8.91880751     -8.95630176
  O     -8.71404100      7.61065798    -11.38060151
  H     -7.32275665      8.24240117    -12.59978883
  H     -2.91558927     10.28639219     -8.50980014
  O     -8.71776000     10.26764172    -10.49946766
  H     -5.88523899      8.44219989    -13.16408310
  H     -3.40267170      7.07695578     -9.45306708
  O     -2.23949247      9.87611527     -9.06370363
  H     -4.96806986      6.17194281     -7.22528062
  H     -1.85656360      6.90620607     -9.47710941
  O     -2.60472702      7.14305658     -8.90989663
  H     -3.60728417      6.87065399     -7.35537437
  H     -2.84962798     10.23989869    -10.77609237
  O     -3.15568329     10.40909312    -11.67740793
  H     -0.16391528      9.83866714    -12.00811705
  H     -3.83474352     11.09536194    -11.62432900
          69
 Energy    -248.76047484653998     
  O     -2.47557745     -4.62355456      0.54966633
  H     -3.36450542     -4.44019874      0.22091751
  H     -0.41063820     -1.41236031      4.48154901
  O     -0.09368897      0.12466496      3.76248921
  H     -2.33291435     -3.97765712      1.25656048
  H     -2.76472467      0.44685843     -0.06253009
  O     -4.84595969     -3.47448578     -0.49507727
  H      0.71787949      0.10138100      3.23639965
  H     -3.92904676      0.05440694      0.89459200
  O     -1.47587645     -3.82070153     -1.99910509
  H     -0.68997969      0.72164512      3.29702452
  H      1.31623314      0.54868227     -1.94115673
  O     -1.41168343     -0.35475510     -0.93931505
  H     -5.63069658     -3.78625936     -0.93878259
  H      0.74384715      1.67019205     -2.84327273
  O     -3.47423881     -1.76119048     -2.17676694
  H     -4.38923185     -2.88471116     -1.11851128
  H     -0.06607503      2.18247893      1.07824464
  O     -4.49230660     -1.47623875      1.56208157
  H     -2.17109868     -3.22627021     -2.30082559
  H      0.68041766      1.97870262     -0.27032659
  O     -1.66214666      1.96717054      2.15939461
  H     -1.77296434     -4.16227837     -1.14480783
  H      5.07959491     -1.04250018      0.65521455
  O      1.05527113     -3.67505353      2.87546467
  H     -0.89209330     -0.88487290     -0.32343625
  H      3.93365068     -2.06613176      0.83382952
  O      0.17887995     -1.87512996      0.82483892
  H     -0.78846993      0.21514898     -1.40819031
  H      0.21088833     -3.37985332     -1.77194935
  O      1.92400558     -0.00354476      1.84162792
  H     -2.69083703     -1.34467706     -1.78781428
  H      1.54981699     -3.96154135     -1.22351716
  O     -0.58551461     -2.33029476      4.76184886
  H     -4.11291072     -1.04069818     -2.27165174
  H      2.48348968     -6.33609564     -0.85911865
  O     -3.50196937      0.80734877      0.45364153
  H     -3.68756117     -1.83528407      1.96234553
  H      1.44756764     -5.68087368      0.08741919
  O      0.60871028      1.21586547     -2.01648461
  H     -4.78010550     -2.14311388      0.92846145
  H      0.34213269     -5.16436237      1.90007842
  O      0.80656314      2.17672054      0.66582486
  H     -2.37323111      1.60468763      1.60766135
  H     -0.82644112     -5.50615263      0.94175546
  O      4.13722806     -1.15294893      0.56227703
  H     -2.01780955      2.74856170      2.57766134
  H      2.76583540     -3.69949530      2.04525317
  O      1.09525609     -3.14194918     -1.45214513
  H      0.77892284     -3.08906774      2.15712894
  H      3.17477402     -4.33053531      0.70533464
  O      2.23217916     -5.50599173     -0.46427784
  H      0.61368259     -3.33628315      3.66286575
  H     -5.64643867      1.21843504     -2.11406331
  O      0.08476347     -5.73354424      1.16301710
  H      0.79743275     -1.19631408      1.13349193
  H     -4.62762453      0.75023294     -1.06435689
  O      3.42621309     -3.65053818      1.34216351
  H      0.55906359     -2.33857090      0.06400941
  H     -1.70515298     -2.56879488      3.27020223
  O     -5.05590446      0.50155576     -1.89742318
  H      2.77174737     -0.28388260      1.47918246
  H     -1.33357511     -2.21429867      1.81564641
  O     -2.04999269     -2.55458691      2.36969472
  H      1.66343318      0.82739599      1.41229145
  H      3.09833563     -0.80798310     -1.01156376
  O      2.44331617     -0.73092963     -1.71440439
  H     -0.74457084     -2.30863638      5.70093326
  H      2.01293334     -1.59621220     -1.76960573
          69
 Energy    -248.75999195472571     
  O     -3.17676677     -0.67365550     -0.21282351
  H     -3.36460375      0.22282377     -0.51680678
  H     -3.84508318     -2.00607542      0.81426593
  O     -1.44558771      2.55580163      0.97295562
  H     -2.43713510     -1.00875118     -0.73883973
  H      2.73563724     -1.22748480      3.53165184
  O     -1.00882353     -0.58326603      4.73240985
  H     -2.19224867      2.58705772      0.36400487
  H      2.20972911      0.20592213      3.91230177
  O      2.78896430     -3.25659552      0.80532471
  H     -1.57367412      1.74247584      1.48414595
  H      0.17605055     -2.44317095      0.93784192
  O     -0.95804939     -1.71042082     -1.59558351
  H     -0.32840408      0.08802722      4.86006561
  H     -0.66004907     -3.73849125      1.07653223
  O     -1.42495565     -0.33009039     -3.96172953
  H     -1.48252168     -0.31805942      3.93192323
  H     -0.96172095     -0.20939645      1.96748297
  O     -1.47773252      2.19460387     -2.77526401
  H      1.86815201     -3.44856223      0.58385060
  H     -2.41364174     -0.22313207      1.44147734
  O      0.67130329      2.51046995     -0.88811932
  H      2.81924174     -3.23395188      1.76946401
  H     -2.32367818     -5.14947772      2.38642472
  O      3.79487956     -1.21951966     -0.69483847
  H     -0.73378471     -2.44077905     -1.00537249
  H     -2.72298280     -3.70253064      2.02833838
  O      1.25095280     -0.15056537     -1.21744649
  H     -0.19017396     -1.11710527     -1.56101242
  H      1.44981031      3.22568155      2.12619356
  O      0.60739262     -0.73024958      1.43521795
  H     -1.33112392     -0.94616734     -3.21921730
  H     -0.07902280      3.04973523      2.20286035
  O     -4.05808356     -2.66488843      1.49347883
  H     -1.22253282     -0.83311672     -4.74664261
  H      3.00045653     -3.64264174      4.29810041
  O      2.70384076     -0.30228015      3.25547562
  H     -1.39764525      1.36448391     -3.26692387
  H      1.62299004     -3.11580416      3.82928183
  O     -0.02274941     -3.29048230      0.50836013
  H     -0.63601839      2.35483771     -2.33351279
  H     -0.74394105     -3.51855472      3.56721621
  O     -1.86222037      0.09989860      2.16357496
  H     -0.05520705      2.51597196     -0.24763171
  H     -0.41602387     -2.25118864      4.39591209
  O     -1.97484059     -4.26722741      2.28498778
  H      1.42794703      2.90599506     -0.43764080
  H      0.93834868      2.00197289      4.09746187
  O      0.72213721      3.07052004      2.74045767
  H      3.47171933     -1.96342095     -0.15516486
  H      1.26759170      1.89145179      5.60356358
  O      2.58388619     -3.05924487      3.66991881
  H      4.47375845     -1.57085143     -1.26465404
  H      4.01880714      0.24640182      0.48300803
  O     -0.06224327     -3.10581607      4.10669637
  H      1.17183571      0.81294498     -1.18097432
  H      3.61608002      0.54326757      1.93986336
  O      1.10191875      1.37117856      4.82169054
  H      2.17920389     -0.40903283     -1.17142033
  H     -2.79910566      2.12607923     -1.68197519
  O      3.95023788      0.95673304      1.13076061
  H      1.34599134     -0.57344812      2.03457523
  H     -4.22954173      2.54400861     -1.26485219
  O     -3.46770614      2.04930388     -0.97606919
  H      0.87375962     -0.44476555      0.55201308
  H      3.44224910      4.03072688      0.72185981
  O      2.77629540      3.34997444      0.76142258
  H     -4.71810388     -2.25837040      2.05134366
  H      3.24400788      2.50338013      0.88224773
          69
 Energy    -248.75986486319343     
  O     12.42147687     12.05103325    -13.58408686
  H     12.33276456     12.98549755    -13.80748703
  H     16.85255083      9.18692825    -16.96851032
  O     12.28798942     14.64429513    -14.68518165
  H     11.75536528     11.57486030    -14.10294193
  H     16.55067630     15.45162073     -8.40947143
  O     14.65603606     11.80697011    -15.22033298
  H     11.58212242     14.36725977    -15.28168203
  H     16.23151393     15.96455851     -9.83542249
  O     16.80719987     10.50019587    -13.94374079
  H     13.09256990     14.65721233    -15.22562596
  H     14.72802542     13.48029595    -15.86364159
  O     10.70256946     10.92958552    -15.36579439
  H     15.39435214     11.38369163    -14.76880003
  H     15.35309443     14.87599617    -15.67993721
  O     13.89975340     10.82742214    -17.68325198
  H     13.90233412     11.81738900    -14.61403920
  H     13.34368609     15.31429571    -13.25066470
  O     10.65019236     13.47281985    -16.72100983
  H     16.30505957      9.94530466    -13.33019748
  H     14.88709137     15.44979576    -13.28430102
  O     15.17668911     13.46931223    -11.03625251
  H     17.03480597      9.93626305    -14.69392659
  H     17.23681532     12.16305559    -13.24380299
  O     15.64595219     17.14169394    -10.99888988
  H     11.14644785     10.23964568    -15.87318955
  H     16.51829808     13.09469680    -12.22847244
  O     16.45301510     15.33915279    -14.26499531
  H     10.62424460     11.70677964    -15.93384100
  H     11.81075326      8.04410523    -16.95244886
  O     17.93968287     17.17120335    -12.73157729
  H     13.26018725     10.12672164    -17.50635352
  H     12.93895905      8.60010880    -16.05318879
  O     17.00693051      8.73132827    -16.12328139
  H     14.17901266     11.15691054    -16.81394511
  H     15.22915377      8.25728759    -11.71339243
  O     16.58931723     15.21130742     -9.33096932
  H      9.92730662     13.84603745    -17.21872324
  H     14.61030507      9.64268001    -12.01536536
  O     14.66339692     14.40172929    -16.16072331
  H     11.42531830     13.47283697    -17.31025968
  H     16.77871370     10.62945043    -19.08845700
  O     14.11775234     15.46226124    -12.69547385
  H     14.68747683     14.12050559    -11.55965059
  H     15.50330235     10.32472772    -18.28347810
  O     17.24218442     13.05259292    -12.87102674
  H     15.62082574     13.95636889    -10.33144981
  H     15.21520051      8.32299182    -15.48815518
  O     12.21793829      8.85425131    -16.65732650
  H     14.96709253     16.71207286    -11.53652297
  H     14.47518936      8.40518301    -14.14496111
  O     15.09907270      8.89589960    -12.40875470
  H     16.38035394     17.32839024    -11.59736073
  H     13.24881647     12.51482272    -18.18345591
  O     16.41828034     10.03595985    -18.43466810
  H     16.78750160     14.51357419    -13.88357655
  H     13.59567615     13.91938505    -17.65412162
  O     14.34569847      8.22237883    -15.08350148
  H     16.98217788     16.05402082    -13.89149159
  H     18.07985966     14.97628433    -10.53652392
  O     12.94541647     13.43269407    -18.17852202
  H     18.65886874     17.78170837    -12.86732504
  H     18.34065380     14.20741755    -11.84838983
  O     18.64529871     14.95709749    -11.31903409
  H     18.29687709     16.42040570    -12.22288270
  H     14.31959906     11.83255536    -11.15893289
  O     13.84405870     11.04607448    -11.45425328
  H     17.61972053      8.02273292    -16.30328846
  H     13.22474925     11.35982643    -12.12934185
          69
 Energy    -248.75953570500465     
  O     13.82028828     10.97320133     -8.66233596
  H     13.89761919     10.86510216     -7.71830649
  H     17.45211384     14.35688994    -16.97696624
  O     11.16437922     11.45431224    -15.35852464
  H     14.50344141     11.61450796     -8.92972976
  H     13.33108721     14.42971626    -11.02846467
  O     14.26559199      8.92805361    -10.61526586
  H     11.12861000     12.26150315    -14.82204650
  H     12.40051892     13.15853950    -11.08618443
  O     11.71782706     11.62207355    -10.41916938
  H     11.61806577     11.68106386    -16.18044616
  H     11.98941033     14.50754105    -15.22435829
  O     11.93961472      9.40570670    -12.13036007
  H     13.42017735      8.91092013    -11.08158791
  H     12.67420104     13.94231403    -16.48854667
  O     13.46840961     10.39139512    -14.18390029
  H     14.15620264      9.56132927     -9.89570128
  H     15.43862271     12.27204802    -12.55438647
  O     14.77216261     15.34368222    -10.25888037
  H     11.78264355     10.86594618    -11.02036332
  H     14.04070314     12.99146145    -12.48302434
  O      9.62425538      9.84018083    -13.72049308
  H     12.32838140     11.43106742     -9.69595812
  H     17.77048751     12.55487336    -15.02987501
  O     15.13985372     14.65274656    -14.75555095
  H     11.07743981      9.35411095    -12.55771004
  H     17.32074214     11.17071984    -14.53353535
  O     15.37149919     11.47169438    -16.97140516
  H     12.55608412      9.68290526    -12.82641094
  H     12.69939451     12.24322707    -18.40124267
  O     11.02635691     13.72406347    -13.75727783
  H     13.89537215     11.17783668    -13.80623262
  H     13.71514867     11.95484544    -17.27457526
  O     17.07541105     13.68734769    -16.41252580
  H     12.70160636     10.70135699    -14.67962894
  H     15.73802628      8.87389611    -11.53485585
  O     12.78089446     13.88483581    -11.60258726
  H     14.72229545     16.13558698     -9.72969982
  H     17.12226298      8.20920990    -11.70946858
  O     12.65750306     14.70241478    -15.89426584
  H     15.29570173     15.56665236    -11.04824749
  H     16.35803156      9.32765661    -13.91763930
  O     14.66912683     12.54663082    -13.06818336
  H      8.94882642      9.34992395    -14.18235670
  H     15.12324573      9.86494452    -14.63442914
  O     17.88761611     11.92305960    -14.31238716
  H     10.10806776     10.34968903    -14.39241313
  H     17.45277709     11.91196287    -12.57550772
  O     12.81097912     12.26745676    -17.45426118
  H     15.02523464     13.85634257    -14.21378858
  H     16.90099027     10.74313585    -11.73259250
  O     16.57616714      8.92314302    -12.02853499
  H     14.28770138     14.81660665    -15.18420214
  H     10.02730855     12.06987733    -11.36990512
  O     16.07849806      9.73926128    -14.74450522
  H     15.66665852     10.78867627    -16.35893682
  H      9.31889842     11.37762462    -12.54814383
  O     16.98926639     11.70540380    -11.74900160
  H     15.99939588     12.19954686    -16.88162869
  H     17.17498588     15.75016949    -12.61660499
  O      9.39942610     12.22132668    -12.08710419
  H     10.29449459     13.33817585    -13.25407067
  H     15.83244705     15.54417309    -13.33284451
  O     16.23233398     15.85562599    -12.50612370
  H     11.69794541     13.91899971    -13.08903567
  H     15.43715282     13.64950957     -9.70773606
  O     15.67580185     12.73752444     -9.50674094
  H     16.39844053     14.12346034    -15.86636823
  H     16.24400029     12.43000255    -10.22637587
          69
 Energy    -248.75949730046597     
  O     12.07549887     10.03527030    -12.27651637
  H     12.98423188     10.18854591    -11.99132576
  H     18.31470482      9.64404646    -16.66955890
  O     15.83525157      6.64054939    -14.46051688
  H     12.08636079     10.02694673    -13.24391563
  H     16.27830657     12.06292499    -15.70941409
  O     17.66087809      9.84422981    -11.96256923
  H     15.48270812      7.54620597    -14.45670421
  H     15.94108754     13.31597183    -16.54559135
  O     11.78273339      7.00895802    -15.58137258
  H     15.49172392      6.20563317    -13.66892899
  H     15.60448307      9.91706653    -14.56117084
  O     16.46920324      6.87154790     -9.01230889
  H     17.82991937      9.11487786    -12.57779154
  H     14.09911319      9.46964595    -14.72539681
  O     14.83923620      5.58519609    -12.08027186
  H     18.00752571      9.55136049    -11.11046701
  H     11.52881062      8.58768302    -11.47930369
  O     14.87562910      9.76082796    -11.69517661
  H     11.94004214      6.62119237    -14.70122302
  H     10.51993060      7.83756888    -10.57553491
  O     14.83592446      8.66685831    -18.55373984
  H     10.98341238      6.61080589    -15.91607400
  H     19.03715416      7.14313581    -10.84247819
  O     17.13197924      4.65846867    -10.73413875
  H     16.65752958      6.03667384     -9.45795276
  H     18.90035429      6.83304219    -12.34656868
  O     17.11479255     10.12499891    -17.81191728
  H     15.57618625      7.12058125     -9.28647840
  H     11.86102586      6.53629482    -12.39529238
  O     14.31575466      6.66279522    -16.82762734
  H     14.58322237      6.27735783    -11.45380236
  H     13.09003940      5.69929187    -12.81613810
  O     18.92580654      9.52218211    -15.92042697
  H     15.58397477      5.12498614    -11.67422244
  H     17.29034605     10.91274287    -13.49431905
  O     15.85104067     12.36612657    -16.52706203
  H     14.79402282      9.48414530    -12.62046417
  H     17.80547252     10.63430330    -14.92176277
  O     14.96785056      9.21526092    -14.38786702
  H     15.82281163      9.90033870    -11.57765167
  H     17.46874055      7.29497914    -14.07128132
  O     11.34982868      7.73948703    -11.03371719
  H     14.64787443      8.34082133    -19.42989287
  H     18.57674826      8.26535257    -14.56728699
  O     19.05698574      6.42352557    -11.48446963
  H     14.67610290      7.92718204    -17.94093243
  H     18.97680746      8.79678495     -8.82211960
  O     12.22888384      6.01264208    -13.11831275
  H     17.85900140      5.22663071    -11.04623430
  H     17.75606443      8.00170746     -9.34043358
  O     17.12341867     11.10830510    -14.42525404
  H     17.51257479      3.80576606    -10.54228958
  H     14.23469720     11.43777993    -17.02347152
  O     18.26217933      7.77806724    -13.79726413
  H     16.38837013      9.55979110    -18.10546291
  H     13.91201422     10.11835564    -17.75389094
  O     18.50523680      8.56044501     -9.61620894
  H     16.71084627     10.95986361    -17.54710988
  H     13.09908906      7.55690692    -10.33458621
  O     13.51246357     10.84167368    -17.25353606
  H     14.91381524      6.49300451    -16.08842949
  H     14.36296471      8.36970567    -10.70323560
  O     14.05982907      7.56490016    -10.25557360
  H     13.43124025      6.72386573    -16.44578730
  H     12.06321297      8.83072805    -15.30160130
  O     12.32580401      9.73080624    -15.06758855
  H     19.80282049      9.70073737    -16.24967311
  H     12.58552569     10.18835506    -15.88184938
          69
 Energy    -248.75915724407744     
  O     17.30112127     10.06304874     -7.99594470
  H     17.93784109     10.15459675     -8.71388133
  H     15.20615208      6.53927040    -13.90164303
  O     16.78580437      5.97359608    -10.92786025
  H     16.45167162     10.34295325     -8.36667247
  H     11.57134919     11.14707111    -11.28823715
  O     13.50081901      4.60595151    -10.27688902
  H     16.46778846      5.17444421    -11.36399635
  H     10.95354891     10.75044315     -9.92798989
  O     18.84380001      7.30722032     -9.61344817
  H     16.18710849      6.14341332    -10.18496784
  H     18.96539911      8.96598136    -10.15637620
  O     17.23463809      7.46989233     -7.22546961
  H     14.13886936      4.28590194    -10.92703820
  H     19.85292531     10.18641987    -10.49121833
  O     16.48469103     10.40536191    -11.65074036
  H     13.99930507      5.14145175     -9.64813210
  H     14.44900973      7.13573271     -8.79034946
  O     13.33856917     12.83832670     -9.30860691
  H     18.44304572      7.27848516     -8.73612367
  H     15.78951930      6.70684973     -8.13508789
  O      9.86164057      7.57514730    -11.04882298
  H     18.27191226      6.75909446    -10.16822630
  H     13.07181011     10.87294180    -13.09315335
  O     14.95852705     10.64029659     -9.36415185
  H     17.22798897      8.42331609     -7.42801337
  H     12.74336739      9.53759368    -12.39421010
  O     13.44491975      7.98680363    -11.83637786
  H     17.48652383      7.38596338     -6.30983973
  H     11.62171702      5.75399133    -12.92744093
  O     11.04967649      5.00425289    -11.32825091
  H     15.91395775     10.49660165    -10.87179768
  H     11.41794194      7.03296158    -13.79347953
  O     14.74533529      5.72757672    -14.15096587
  H     17.38550402     10.31922529    -11.31512020
  H      9.75835465      9.01941628    -14.28319384
  O     11.24386909     11.50558910    -10.45296359
  H     13.28815095     13.76941124     -9.50571609
  H     11.02836989      9.31644846    -13.45373850
  O     18.94649046      9.91546170    -10.37331706
  H     12.54538506     12.43627612     -9.70250499
  H      9.87808226      9.12768803     -8.29167492
  O     15.10277147      6.42237648     -8.75143048
  H     10.23371007      6.68499396    -11.08492571
  H     10.24617719      8.57607830     -9.69122991
  O     12.33669646     10.32379627    -12.78847791
  H      9.93704672      7.94123131    -11.93760870
  H     15.17816566      4.49881193    -12.99667699
  O     12.03047629      6.31043061    -13.60476369
  H     14.34902505      9.90383135     -9.22874318
  H     15.70146524      3.08180252    -12.65581944
  O     10.38613975      8.62331134    -13.68440924
  H     14.44679506     11.46012359     -9.30700319
  H     15.38005217     11.26965271    -12.84198382
  O     10.55181160      9.14986728     -8.96578898
  H     12.96023689      7.33757078    -12.35857503
  H     15.15400510     12.07229285    -14.13026716
  O     15.42659737      3.90612267    -12.26432666
  H     14.36073055      7.96650558    -12.14656219
  H     13.28083570      8.23918842    -10.11134944
  O     14.69207707     11.62626588    -13.42463527
  H     11.91276009      4.87531720    -10.89494481
  H     12.34814917      8.67127269     -8.94807271
  O     13.25848270      8.43540127     -9.16052770
  H     10.55392773      4.20119209    -11.19173875
  H     16.25727274      8.77713054    -12.48188568
  O     16.02278008      7.88899831    -12.78117982
  H     13.79912554      5.92264981    -14.12314936
  H     16.40019659      7.26287278    -12.14551444
          69
 Energy    -248.75910191526026     
  O     16.70619958      9.69264549    -17.54798344
  H     16.52779291     10.64991477    -17.54181305
  H     16.75878593     12.96484070    -17.02511188
  O     14.54668437      9.60628972    -11.58359331
  H     17.04123914      9.48148518    -18.41529154
  H     13.37922959     13.81076851    -16.35634657
  O     17.04696044     15.45198156    -11.69421281
  H     15.07788242     10.30221099    -11.17826475
  H     12.84415075     13.44391417    -17.76291386
  O     14.58493835      8.74825655    -15.99530065
  H     13.77184408     10.04701629    -11.96260556
  H     18.54266578     12.66068345    -12.54069992
  O     13.07193300      7.25198202    -11.24207363
  H     17.58577794     14.63931154    -11.68626640
  H     17.65489268     12.56958781    -11.28778507
  O     14.43874159      5.80406157    -13.08908880
  H     17.61281747     16.16154938    -11.40184837
  H     13.24592393     13.87720593    -11.81773203
  O     15.57834915     12.30622566    -13.74018302
  H     15.26265717      8.98304176    -16.64093321
  H     12.43944453     12.71443980    -12.44575535
  O     12.31781630     10.81388537    -12.74755303
  H     15.04957800      8.55814006    -15.16546939
  H     17.69298806      9.34364048    -15.92196204
  O     15.87719579      8.18649728    -13.60151627
  H     13.63338456      8.03718505    -11.16885403
  H     17.43504149      8.82732663    -14.49019800
  O     18.24924057     11.86961961    -14.24015057
  H     12.26581677      7.55549403    -11.67746690
  H     13.16359063      7.64982767    -15.41756611
  O     13.49430753     11.13744785    -15.19565721
  H     14.62294444      4.90954832    -12.81687588
  H     13.18156092      6.53550684    -14.35919406
  O     16.17456551     12.35201121    -17.48463528
  H     13.95577333      6.22901027    -12.35688062
  H     16.74165994     14.82370159    -14.89771732
  O     13.47710727     13.18546088    -17.09900696
  H     14.87168990     11.89026635    -14.24819283
  H     16.40499736     15.30280593    -13.45191741
  O     18.36001043     13.09149527    -11.69551067
  H     15.55032363     13.25319888    -13.92597261
  H     15.74630904     12.01993446    -11.97212099
  O     12.60190063     13.66451668    -12.50120101
  H     11.74318809     10.03885844    -12.77484619
  H     15.40456593     12.70001174    -10.63523856
  O     18.09217412      9.26585886    -15.04674663
  H     12.64400598     10.94431421    -13.65217573
  H     12.97231360     14.41109808    -14.12100716
  O     12.58901253      7.11424783    -14.85552037
  H     15.48960061      8.73211929    -12.90296100
  H     14.22091541     15.07001419    -14.75388902
  O     16.01822504     15.05605547    -14.30067797
  H     15.55224235      7.28948378    -13.45238440
  H     10.11495179      8.04987922    -13.08875540
  O     15.87857425     11.94931129    -11.01145056
  H     18.37415195     10.94642075    -14.50030677
  H     11.52856109      7.90379242    -13.69802720
  O     13.32377279     14.76979574    -14.94924883
  H     17.29869294     11.96372677    -14.06932559
  H     15.43783945     14.88696589    -10.92825811
  O     11.02438862      8.31085309    -12.97066810
  H     13.82721736     10.30520335    -15.55865493
  H     14.36748198     14.99717436     -9.82188613
  O     14.65724137     14.45331683    -10.55123056
  H     13.39074631     11.76711289    -15.91866963
  H     18.23195640     13.20950768    -15.37665288
  O     18.02284201     13.96495152    -15.95457920
  H     15.27729788     12.69610719    -17.39445158
  H     18.84593334     14.25821205    -16.33656957
          69
 Energy    -248.75906565662714     
  O     11.31963754      9.30099441    -11.75213009
  H     12.16150554      9.54871818    -11.35072786
  H     14.77851293      3.49830308    -10.32380786
  O     11.28143771      3.91755148    -10.19194717
  H     11.51283599      9.14058820    -12.68255297
  H     16.46778690      6.41116902    -13.39376258
  O     17.76930403      6.70530719    -12.13390665
  H     12.18291430      3.59919835    -10.32724283
  H     15.65990003      5.79257700    -14.60335933
  O     15.42431197      4.41859903    -15.68176284
  H     11.32977002      4.58269059     -9.49375807
  H     12.84559979      5.81901645    -12.78411370
  O     16.45951984      4.01252000     -9.53991706
  H     17.86033013      7.63175848    -12.38804874
  H     14.38539175      5.95869751    -12.78966159
  O     11.37080712      6.18826938     -8.46478139
  H     17.31461157      6.70644253    -11.27886299
  H     10.36954068      8.04067215    -10.89798446
  O     14.78571983      9.01706686    -13.54104608
  H     14.48809624      4.18773956    -15.66036630
  H      9.77166725      6.62198894    -11.10703424
  O     12.66436328      3.63221683    -15.23598711
  H     15.88951604      3.68700078    -15.25418266
  H     16.52522846      9.44332914    -13.11358496
  O     16.75881527      9.47664980     -9.99483456
  H     16.50813465      4.98178875     -9.48757512
  H     17.89675924     10.10419441    -13.36097925
  O     16.65631557      2.38403623    -14.12811274
  H     16.81443601      3.67888533     -8.71920796
  H     13.59057429      6.54916607    -10.65147147
  O     13.92994602      2.14781113    -13.36419255
  H     10.99911766      6.36831717     -7.60615410
  H     12.95513843      6.71106010     -9.23705253
  O     13.97563653      3.38762475    -10.84400723
  H     10.80716499      6.64287671     -9.11964328
  H     17.92602254      4.80918442    -12.20467275
  O     15.65709985      6.47152380    -13.91431859
  H     13.89362438      9.04931448    -13.90506717
  H     17.30931462      3.79117065    -11.23447217
  O     13.62862630      5.74409816    -12.22747295
  H     15.10176377      8.11945081    -13.73431557
  H     15.46457147      6.77783185     -9.62072877
  O      9.94185972      7.29876542    -10.44391015
  H     12.25460544      3.03383650    -15.85583192
  H     16.69900256      7.69435855     -9.60096700
  O     17.44634853      9.47032103    -12.80783027
  H     13.05471181      3.07975400    -14.53397278
  H     10.30153439      4.53444823    -11.48911070
  O     13.70755530      6.96470767     -9.78346006
  H     15.81943044      9.66872780    -10.12108118
  H      8.93570111      4.50370410    -12.21292029
  O     17.69181109      3.87717210    -12.11601791
  H     17.15332517      9.60768333    -10.86455975
  H     13.87355283      8.66943628    -10.40719839
  O     16.43379746      6.76405269     -9.64030968
  H     17.05125145      2.90893434    -13.40947261
  H     14.30391529      9.34504980    -11.73778679
  O      9.76449943      4.97385030    -12.17359276
  H     17.30253871      1.72709675    -14.37287168
  H     11.64947847      8.92623158    -15.20714049
  O     14.02495736      9.52823422    -10.83006137
  H     14.86385348      2.11559935    -13.60827018
  H     11.90189952      7.65910519    -14.36312704
  O     12.10783563      8.60583044    -14.43361636
  H     13.90900241      2.42778086    -12.43998050
  H     10.84231526      5.60028983    -13.48647746
  O     11.54258643      5.91522064    -14.07601856
  H     13.87599326      4.20274299    -11.36194582
  H     11.89435966      5.14869791    -14.55023695
          69
 Energy    -248.75901080888690     
  O     14.34450271      9.69138554    -17.39925038
  H     13.78179307     10.10887067    -18.04572007
  H     19.48391108      7.25785206    -12.78175090
  O     15.68583843      6.55912198    -12.02300434
  H     13.93915329      9.85408705    -16.52697968
  H     17.89827323      8.71404044    -17.68851062
  O     19.40061544     10.25708590    -12.96659715
  H     15.59062677      5.64210467    -12.30062596
  H     19.28650982      8.11331557    -17.50373533
  O     13.32253193      5.73197789    -14.69569634
  H     15.86891117      7.04955273    -12.84203108
  H     15.74629510      7.56585809    -15.13409335
  O     15.28871680     11.97110204    -10.11766953
  H     18.98626442     10.71480755    -12.21721915
  H     16.39450917      8.75546874    -14.34181141
  O     13.64428950      8.35775562    -11.51783897
  H     19.63976317      9.38887310    -12.61897461
  H     12.74188686      9.26427844    -14.57382250
  O     16.83727216     10.49284684    -14.17006830
  H     13.96504565      5.15379254    -14.26978813
  H     13.67090863     10.43507728    -14.20286735
  O     17.47609900      4.67920052    -15.28071896
  H     13.77552934      6.11714247    -15.45944917
  H     18.25759374      7.95710040    -10.81460976
  O     15.05393371      9.38762038     -9.29334093
  H     15.00533551     12.61319795     -9.47310469
  H     16.78422048      7.55865827    -10.94456610
  O     18.88481431      6.98543769    -14.44371186
  H     15.17340417     11.09261564     -9.71115331
  H     12.39329830      7.02157478    -14.01588494
  O     15.44475362      4.17297300    -13.51522961
  H     14.29583386      7.65207951    -11.64144418
  H     10.99221614      7.60046021    -13.70510549
  O     19.77641140      7.61088100    -11.92470489
  H     12.93725861      8.18183759    -12.15030367
  H     19.77378260      9.82434700    -14.79613326
  O     18.45276423      7.96450366    -17.95449921
  H     16.12297773     10.70195132    -13.55356715
  H     18.98128691      9.76582806    -16.11100029
  O     16.26204382      7.79883348    -14.35338879
  H     17.66790360     10.46045743    -13.67933080
  H     17.08964099     11.47445264    -10.61049569
  O     13.25104755      9.99248311    -14.95061781
  H     17.28771082      4.91456307    -16.19699993
  H     17.65373793     10.04570321    -10.69414378
  O     17.37634633      8.17069746    -10.48481495
  H     18.12707757      5.32653354    -14.98074121
  H     17.02517630      5.25663131    -18.73953816
  O     11.92345129      7.80194918    -13.66995963
  H     14.41195729      9.00580794     -9.90751766
  H     17.53755198      6.48953858    -17.95691240
  O     19.73562219      9.37713208    -15.65332506
  H     15.88726861      8.93651240     -9.47898523
  H     14.76301217     11.35966064    -11.81606021
  O     17.87227033     10.97307354    -10.86074872
  H     19.29237593      7.70813972    -14.93902080
  H     14.30183749      9.94126667    -12.21228383
  O     16.94725756      5.71639956    -17.90779205
  H     17.94101491      7.20773287    -14.40407741
  H     16.18897599     10.07158725    -17.19248785
  O     14.59174098     10.79039462    -12.57582360
  H     16.17182727      4.32135089    -14.14511452
  H     17.00862518     10.39847627    -15.94383401
  O     17.09744527     10.14276064    -16.87443874
  H     15.42522429      3.23585850    -13.33963264
  H     15.48979195      6.57423561    -17.17307624
  O     14.82441647      7.03091786    -16.64271371
  H     20.59400835      7.16952179    -11.70812205
  H     14.64156309      7.88858347    -17.04650680
          69
 Energy    -248.75860411070829     
  O     16.82774691     10.38434583    -14.32631198
  H     17.63769699      9.89760053    -14.52191423
  H     13.62840450     11.17511776    -10.18344962
  O     14.33116601      6.67179997     -9.35842019
  H     16.53965697     10.06194859    -13.45672188
  H     18.12922861      5.64295089    -15.68614721
  O     12.30914817      8.38440620    -10.38934773
  H     14.29906525      6.00385315     -8.67917183
  H     18.35972590      4.15131652    -15.34121519
  O     14.66963952      9.19832483    -15.56131358
  H     14.76440763      7.45266128     -8.96696897
  H     15.04891035      6.58794960    -11.06055136
  O     19.04722118      8.73199988    -14.43486648
  H     12.90048886      7.71810564    -10.01903121
  H     14.81414006      6.73016258    -12.61492484
  O     20.47285125     10.27224700    -12.53566950
  H     12.57529716      9.22321416     -9.99435420
  H     17.59058706      7.39199448    -17.01213156
  O     18.08640601      6.63032333    -12.84383682
  H     15.43247634      9.66986759    -15.19566559
  H     18.71472469      7.76247581    -16.00429688
  O     11.44821721      8.14036156    -12.93568955
  H     14.98164575      8.74442883    -16.35318769
  H     19.04903918     12.62220989    -10.37271362
  O     16.50232217     12.66739312    -12.71204406
  H     19.62858009      9.26908305    -13.88376240
  H     18.40239459     11.22552694    -10.51068800
  O     12.76413044     10.50171481    -13.91163094
  H     18.69383392      8.03283738    -13.86357938
  H     15.50474979      6.75770499    -17.07215567
  O     14.10830568     11.58531783    -11.79928462
  H     19.91035993     10.91369913    -12.07538500
  H     15.47453457      7.39397280    -18.48341339
  O     13.39076580     10.80168934     -9.31634223
  H     21.34186725     10.66349949    -12.59246804
  H     15.63054032      8.54669078    -11.89828497
  O     17.87403742      4.92755767    -15.07497480
  H     17.19391837      6.65081186    -12.47034184
  H     15.15975371     10.05603505    -11.82936605
  O     15.47842259      6.74367614    -11.91042572
  H     18.07839488      5.94335633    -13.52203668
  H     18.39273452      9.06533124    -10.05732038
  O     18.42094968      7.08500714    -16.62859766
  H     10.51506339      7.94581574    -12.93960125
  H     17.05948704      9.64876401    -10.59223564
  O     18.79914663     11.95909173    -11.01208888
  H     11.71499639      8.22732961    -12.00269083
  H     12.90170281      7.28763748    -13.70911155
  O     15.74273921      7.55351905    -17.58226518
  H     17.26638946     12.53600392    -12.14028640
  H     14.10817177      7.78805126    -14.53984797
  O     15.92065942      9.46690389    -11.90671461
  H     16.64135680     12.06248158    -13.45422136
  H     20.05917397      8.66694987    -11.43051902
  O     17.70922193      9.72695786     -9.87427272
  H     12.21872631      9.75949202    -13.62473667
  H     19.16070254      7.41711207    -11.50001039
  O     13.77100212      7.02959497    -14.03951961
  H     13.33963766     10.15361152    -14.60494897
  H     16.26166017      9.25368827     -8.76106863
  O     19.61022481      8.01190614    -10.88409316
  H     14.87063047     12.09901688    -12.10212224
  H     14.77366468      9.66958236     -8.64417704
  O     15.40262021      8.97128444     -8.42185680
  H     13.58335326     11.31779390    -12.56954540
  H     16.00361784      5.18065523    -15.53028713
  O     15.17534825      5.46718889    -15.93390594
  H     12.93565506     11.48903830     -8.83685190
  H     14.62784066      5.83671801    -15.22855914
          69
 Energy    -248.75791887879328     
  O     20.65822261     11.39392159    -10.22816861
  H     20.06113192     10.94360038     -9.60148998
  H     18.46396441     10.27993872    -12.30827575
  O     17.69761065      6.79779246     -9.67109224
  H     20.80010873     12.27219199     -9.88676064
  H     22.62378426      8.85991427    -10.53724778
  O     18.47849745      3.57868166    -12.06316870
  H     18.45016215      7.09384576    -10.20608248
  H     22.12224962     10.28988433    -10.80576935
  O     19.83332045      5.62448043    -13.38566887
  H     18.05462060      6.33131378     -8.90570356
  H     18.17945390      7.12095516    -16.08176415
  O     21.97841186      7.36482841     -9.68280434
  H     18.18241309      2.70416445    -12.30189896
  H     19.04331096      7.85502085    -15.02642018
  O     16.41690558      5.23864121    -11.49649916
  H     17.68268422      4.10493309    -11.86890826
  H     19.64508965      3.83240447    -10.53479664
  O     22.58851942      5.80631248    -13.05453027
  H     19.36635831      4.86076154    -13.02324336
  H     21.06031130      4.23649897    -10.04421879
  O     20.27880309      7.91493887     -7.51791300
  H     19.27454734      6.03433535    -14.05680261
  H     14.74703087      7.91296919    -11.90511848
  O     22.77786015      4.79432131    -10.56184120
  H     21.18993430      7.42371908    -10.24561441
  H     14.76639660      8.41899782    -10.45393167
  O     19.75126935      7.55263693    -11.33401132
  H     22.36244619      6.49785025     -9.85348087
  H     15.92823263     10.61489764    -12.56859921
  O     18.96232332     10.09562186     -8.60599175
  H     15.48699254      5.11143253    -11.26154850
  H     16.56258026      9.20250684    -12.58500184
  O     19.41973340     10.16051175    -12.38034207
  H     16.82543192      5.76317908    -10.78933976
  H     16.39108532      6.71742779    -12.62962066
  O     22.73727058      9.62028364    -11.12506463
  H     21.65825566      5.68283410    -13.28940571
  H     16.95124078      7.43740157    -13.87950222
  O     18.31498118      7.21584909    -15.14277091
  H     22.79278926      6.72716418    -13.25763487
  H     23.75880917      8.92555867    -14.01407367
  O     20.16473457      4.03025417     -9.74814319
  H     20.99371041      7.76660309     -8.15222927
  H     22.88776861      8.98052948    -12.74067611
  O     14.20610176      7.98625843    -11.11101351
  H     19.85690014      7.05505262     -7.41303655
  H     16.77059203      8.33352520     -9.54149750
  O     16.66199169     10.10435962    -12.23401284
  H     23.59165132      4.30981116    -10.45404121
  H     16.51140796      9.59970308    -10.40469452
  O     16.34426635      7.54010653    -13.13535263
  H     22.76740822      5.12793969    -11.47743399
  H     20.01150503      9.48241115    -13.93166359
  O     22.96877557      8.56624526    -13.61834039
  H     19.68152437      8.44059161    -11.70613799
  H     21.25602214      8.74047004    -14.43242402
  O     16.32402722      9.19514677     -9.54746902
  H     19.82054478      6.92470874    -12.06420506
  H     19.45636682      4.83955885     -8.38167147
  O     20.33386931      8.91850250    -14.65038514
  H     18.03824530      9.87356104     -8.74992589
  H     18.76573529      4.72336344     -7.00104388
  O     18.99943764      5.34467407     -7.68487528
  H     19.37104493      9.34454131     -8.14917212
  H     12.93961571      5.04998636    -10.39107197
  O     13.77740576      5.28692424    -10.77830406
  H     19.84102281     10.69291249    -11.69344088
  H     13.78913330      6.25808416    -10.82405685
          69
 Energy    -248.75778460858146     
  O     16.61138817     11.59478201    -15.89862206
  H     16.43139110     11.41551528    -16.83076103
  H     13.75361792      5.81693408    -17.24182600
  O     12.46175660      7.00528007    -14.43549882
  H     17.50969339     11.28036269    -15.74411820
  H     17.34336706      9.38951966    -18.14693314
  O     19.04317274      7.03215618    -12.60188481
  H     11.57179515      6.69741690    -14.28839154
  H     17.16710558      8.44510775    -16.94180646
  O     16.95481369      6.01829677    -18.30129917
  H     12.84945218      6.43478220    -15.12594460
  H     16.54965795      8.45646713    -14.78259271
  O     14.34398612      6.42681912    -18.94887832
  H     18.35712280      6.38937009    -12.82476596
  H     15.23392910      8.46782586    -15.62520810
  O     16.05680966      9.04468710     -9.56670465
  H     18.96996323      7.17313629    -11.64538447
  H     15.26029166     11.54875066    -14.79168763
  O     14.52650693      7.10063144    -12.52732622
  H     16.92345602      5.61566698    -17.42309833
  H     14.08307362     12.36063496    -14.20566063
  O     17.57631156      9.20482227    -13.45643156
  H     17.41043830      6.86410508    -18.20113285
  H     16.80794290      4.05100341     -9.46155920
  O     16.36279954      5.33019173    -15.60334177
  H     14.12959695      5.96485931    -19.75527230
  H     16.04422805      5.33412601     -9.87070272
  O     14.74357824      6.51049304     -9.79217662
  H     15.29037028      6.26938792    -18.78144756
  H     13.71939986     10.02569480    -15.12901363
  O     19.07225960     10.10329085    -15.59881696
  H     15.76507828      9.39351016    -10.42446321
  H     13.06587368      8.59438924    -15.18960425
  O     13.66118828      5.52671531    -16.32664895
  H     16.05014369      9.77947255     -8.95781714
  H     20.29734449      7.80862873    -13.71797426
  O     17.77657528      8.67620402    -17.66170223
  H     13.79066205      7.02972799    -13.14697267
  H     21.67246883      7.93712879    -14.38905184
  O     16.10490898      8.06190728    -15.54320940
  H     14.73488855      8.03947860    -12.43384729
  H     15.99705007      5.98759363    -12.78129776
  O     14.46734767     11.48802517    -14.22740416
  H     18.09760185      8.47238079    -13.10184728
  H     16.84545024      5.02019487    -11.93232409
  O     16.84783456      4.80936726    -10.03761847
  H     18.11203107      9.63334147    -14.13709445
  H     17.92582486      6.40573339     -9.88053582
  O     13.56420897      9.25446904    -15.68806693
  H     16.58897435      5.09786058    -14.69570553
  H     17.63864083      7.91564890     -9.79122351
  O     20.81566059      8.35258365    -14.33085285
  H     16.26334643      6.29704255    -15.59959962
  H     16.16363770     11.34024431    -19.41030746
  O     16.75983417      5.39186177    -12.81873244
  H     15.11050202      7.36331182     -9.52748140
  H     15.38815039     10.26651987    -18.60785864
  O     18.33819745      7.27521298     -9.96505056
  H     14.50236177      6.62266936    -10.72254174
  H     14.90274149     10.44029952    -12.70764611
  O     16.18972858     10.82112317    -18.61149534
  H     19.80016620      9.59119500    -15.21562443
  H     16.19518264      9.62584327    -12.53744419
  O     15.32425796      9.78942051    -12.13620497
  H     18.78013182      9.60971426    -16.37802781
  H     13.75131199      9.24284530    -17.51631674
  O     14.04562613      9.20321735    -18.43657163
  H     14.55135278      5.27599021    -16.04365572
  H     14.10965101      8.26693073    -18.66186203
          69
 Energy    -248.75762472075058     
  O     11.61419674      7.07203077    -15.39650881
  H     12.37450268      7.12798867    -15.99332476
  H     20.05830849      9.56439798    -13.47991939
  O     17.26439252      7.29038520    -13.44666701
  H     11.38556478      7.98102190    -15.17274568
  H     13.67383319     10.61575054    -16.84485633
  O     15.03610746     10.56303558    -11.64089616
  H     16.76188801      6.67789486    -12.89238363
  H     13.96267908     11.29892357    -15.49485741
  O     15.46064849     11.23688659    -14.33834149
  H     17.46332563      8.04808491    -12.88180509
  H     14.65340125      8.08455777    -15.31769990
  O     15.77894759      5.20470952    -16.64369512
  H     14.25993257     10.02252339    -11.84762406
  H     15.77846392      8.01414242    -14.23519947
  O     12.75431011      7.63414402     -8.96812894
  H     15.21317644     11.04334634    -12.46105366
  H     11.39127942      4.37182489    -13.82589768
  O     15.69566806      5.83906270    -11.66318073
  H     16.32983297     11.46438100    -14.68863732
  H     11.86031758      5.76688045    -14.30450871
  O     13.01663625      8.96370798    -12.69951963
  H     15.35366535     10.28031406    -14.46395255
  H     17.45381571      7.08506689     -8.83625775
  O     17.18023311      9.64324716    -17.22955247
  H     15.90898367      4.38073733    -17.10561266
  H     16.30266254      7.97715545     -9.36312850
  O     18.07395765     11.60641048    -15.34053296
  H     15.48932803      4.97604112    -15.74195642
  H     13.90174139      4.71768756    -14.03476411
  O     17.82314874      7.16357616    -16.17772890
  H     11.86039023      7.58466506     -8.63926252
  H     15.24006139      4.88557618    -13.29383473
  O     19.43031054     10.27739748    -13.38323379
  H     12.76214612      7.13613390     -9.80050096
  H     16.71762687      9.79295502    -11.57858693
  O     13.24701590     11.03451702    -16.08795336
  H     16.16234788      6.22937192    -10.91353347
  H     17.53707117      8.69335447    -10.85608900
  O     14.98854025      8.49364522    -14.51145458
  H     14.76361542      6.07413353    -11.55179768
  H     14.21824653      8.70490617     -9.00355014
  O     12.06549048      5.03309804    -13.69641122
  H     13.71765465      8.73301934    -13.33216159
  H     14.98148716      9.78913449     -9.82128124
  O     17.00835481      7.35952022     -9.63304446
  H     12.29501559      9.32025178    -13.23005595
  H     15.60142913      9.69054099    -17.85730272
  O     14.85835683      4.64808920    -14.14643653
  H     17.54568806     10.31133495    -16.64053769
  H     14.70042255      9.93022377    -19.09369419
  O     17.57360486      9.34201840    -11.57008796
  H     17.46606881      8.78123600    -16.89172580
  H     12.93849346      7.40629557    -11.87872434
  O     15.07382422      9.14669952     -9.10929569
  H     18.54019301     12.41236149    -15.54769157
  H     12.57621558      5.92566730    -12.14852655
  O     14.68012550      9.66643203    -18.17812276
  H     18.59462998     11.15141481    -14.65692105
  H     10.46335021     10.37303061    -14.75453405
  O     12.96801523      6.51577430    -11.49373907
  H     17.79433737      7.17724958    -15.21136658
  H     11.93122681     10.27955273    -15.22855154
  O     11.24614800      9.83189303    -14.69986851
  H     17.22029327      6.45573058    -16.43378052
  H     14.20825095      8.05051196    -17.43812579
  O     13.96115302      7.32491492    -16.84981132
  H     18.84183028     10.01986386    -12.65624944
  H     14.59724842      6.60464016    -16.94724479
          69
 Energy    -248.75736985239294     
  O      1.43321924      1.04027535      4.82737826
  H      0.94892730      1.87396163      4.85005022
  H     -5.52300818     -2.19848976      4.29532058
  O      0.77031402     -0.36056096     -2.80067023
  H      0.88254539      0.40374522      5.30009466
  H     -2.22393754      3.68392487      1.47809160
  O     -0.38182828     -0.91370849      5.91017917
  H      0.09068954      0.15561639     -2.34579805
  H     -3.22570986      3.45964268      0.32899946
  O     -0.95965111      0.87637747     -0.95326607
  H      0.67060165     -1.25484498     -2.45093715
  H     -3.51679761     -0.62954110      4.90727549
  O      0.43936042     -2.71499863     -1.18065497
  H     -1.27934308     -0.57959550      5.74037680
  H     -2.53844284      0.32204352      4.19857760
  O      2.58577304     -1.59991391      0.08386606
  H     -0.40845066     -1.36986652      6.74716541
  H      0.14819752      2.71510255      1.55431445
  O     -4.74452223      3.25435141      3.32346824
  H     -1.29985425      0.03052087     -0.62718146
  H     -0.32161826      3.26382472      2.94896873
  O     -2.80678558     -2.78521392      2.13054890
  H     -0.22938103      1.14062125     -0.37856253
  H     -2.33666188      1.93269893     -1.22120704
  O     -0.14481586      3.43772110      4.78085660
  H      0.62055849     -3.63540509     -1.35363845
  H     -3.36435178      2.60774622     -2.16239576
  O      2.91886217      0.75912035     -1.54320848
  H      1.19797281     -2.37402285     -0.67448010
  H     -2.65535812      0.55412307      1.84827676
  O     -5.51033649      0.55038019      2.72139303
  H      2.47031228     -1.24579788      0.97569324
  H     -1.51191066      1.47725027      2.36044222
  O     -4.76423816     -1.69378425      4.01538571
  H      2.87227470     -0.85345760     -0.45575083
  H      1.08329936     -0.91138423      2.60200568
  O     -3.14523530      3.82482559      1.21725271
  H     -5.40896829      3.93532640      3.39457167
  H      1.88410119      0.21096109      3.27544550
  O     -2.81336618      0.00878349      5.07581695
  H     -4.19991568      3.47862092      2.54762932
  H     -3.43111780      3.03302396      4.65385226
  O     -0.60754967      3.05771832      2.04961650
  H     -1.96776493     -2.58943978      2.57165716
  H     -2.83705510      1.85294924      5.43435123
  O     -3.18918056      2.40234915     -1.24798913
  H     -3.49691122     -2.47975174      2.72950288
  H      1.90535944      1.50513908     -0.12718328
  O     -1.96422246      0.63911618      2.51516277
  H      0.09928944      4.21682701      5.27376884
  H      1.46087037      0.95580319      1.25106905
  O      1.83317794     -0.31573198      2.46469358
  H     -1.07210246      3.24240896      5.00611193
  H     -0.97923199     -0.85700237      2.86716494
  O     -2.73577869      2.80129065      5.28264034
  H      3.60626889      1.05927644     -2.13130299
  H     -0.38716092     -1.55352380      4.12072752
  O      1.26240660      1.62776287      0.58136726
  H      2.21289908      0.38577924     -2.10025158
  H     -2.29295498     -2.10773510      0.56265587
  O     -0.48850570     -1.64095712      3.16446550
  H     -5.09987873      0.43687540      1.85186463
  H     -1.22100416     -2.08608387     -0.56266891
  O     -1.99646526     -1.62258551     -0.22325748
  H     -5.30436036      1.45166051      2.99542748
  H     -3.84052212      1.01189538     -0.16458538
  O     -3.94795934      0.27812008      0.45315460
  H     -5.10758929     -0.90135593      3.56209483
  H     -3.44023144     -0.46559038      0.10256616
          69
 Energy    -248.75687502908039     
  O     16.47549437      4.99242249    -16.14620226
  H     16.68887648      5.93456922    -16.13615595
  H     17.43046203      4.41181153    -12.59952465
  O     17.57500337      6.29309954     -9.33507932
  H     15.51294740      4.94994564    -16.20535207
  H     18.44417192     10.16613436    -14.78025265
  O     14.11871280     11.08522339    -10.63742521
  H     17.70748768      5.88292983    -10.19887835
  H     17.02096954     10.70241529    -14.57354945
  O     19.80345458      9.63656677    -13.51405766
  H     17.71990611      7.24223319     -9.44083656
  H     16.82553787      8.05075428    -12.58631512
  O     17.10238421      3.32007408    -14.09520463
  H     14.68786890     11.24112560    -11.39909992
  H     15.31366557      8.04667683    -12.15131672
  O     12.39604007      8.99624282    -10.53490916
  H     14.69227788     11.00111434     -9.86511301
  H     13.77765095      4.51415926    -15.01726772
  O     15.10137450      5.64881760     -8.46812741
  H     20.72879850      9.86443628    -13.53181803
  H     12.95668702      4.51396564    -16.32794974
  O     13.67324037      7.31762732    -12.33989785
  H     19.39233379     10.17757438    -12.81632323
  H     15.56335404     10.85173204     -7.42691016
  O     18.42183294     11.05326995    -11.65900640
  H     16.96813241      3.92003970    -14.85121684
  H     14.99707464      9.61955227     -8.17698088
  O     13.95505564      8.23763773     -8.25944098
  H     17.60631167      2.57866661    -14.41985760
  H     14.75351796      5.17028673    -10.24254871
  O     16.67223399      7.76181837    -15.71841051
  H     12.96478183      9.78413978    -10.61253924
  H     15.70125016      5.13234090    -11.46623202
  O     17.46916413      5.14517285    -11.97275456
  H     11.49519440      9.30791118    -10.51085843
  H     16.96201611      9.57147791     -9.16729402
  O     17.60446120     10.31287409    -15.23370665
  H     16.01847137      5.88107271     -8.70541397
  H     16.99496720      8.86509866    -10.54536445
  O     16.15618793      8.50663736    -12.05990672
  H     15.15133435      5.04834710     -7.72897085
  H     15.95921022     10.14910163    -12.66162895
  O     13.61967844      5.00122183    -15.84615913
  H     13.94011660      6.49208260    -11.91129959
  H     15.11665480     10.99707526    -13.64580932
  O     15.57406882     10.40035015     -8.26646087
  H     13.14778889      7.83821848    -11.71883014
  H     13.73645547      6.82718866    -15.43684142
  O     14.77028299      5.07790695    -11.20244973
  H     18.22605621     10.46472300    -10.91679848
  H     13.79388007      7.56551363    -14.08520107
  O     17.54564508      9.11100094     -9.78412708
  H     17.57272369     11.30632271    -12.03922652
  H     14.29650746      4.04171470    -12.71236934
  O     15.81880268     11.05645784    -12.98032305
  H     13.33703077      8.36493291     -8.98933723
  H     15.22062359      3.37375512    -13.74039416
  O     13.93845366      7.68191454    -15.03698928
  H     14.29162985      7.33560292     -8.32464560
  H     13.83554586     10.85674566    -15.81499873
  O     14.30454677      3.64035327    -13.59026872
  H     16.97681308      8.68100112    -15.71147356
  H     13.87643771      9.52729833    -15.04923743
  O     13.96290676     10.48678427    -14.94391787
  H     15.73432913      7.77312791    -15.48424493
  H     17.73805602      7.38316687    -14.31923921
  O     18.21858763      7.31418728    -13.48093403
  H     17.82066487      5.89324419    -12.47775093
  H     18.87279286      8.02404417    -13.46617152
          69
 Energy    -248.75676902218379     
  O     12.84192886     10.44934185    -12.62390169
  H     13.44966690     10.45391255    -11.87283034
  H     16.28110327      6.16954469    -15.52261833
  O     14.71998076      7.51477343    -17.67294614
  H     13.31494124     10.82191589    -13.38108389
  H     14.59172837      6.58979001    -10.29758384
  O     13.69855558      5.31268394    -12.98981703
  H     14.18237811      6.72809233    -17.53059775
  H     14.72670662      5.70540215    -11.55551082
  O     17.72644738      4.93297089    -11.26873941
  H     14.14963842      8.27764366    -17.50107203
  H     13.23565886      8.63065039    -13.18664804
  O     13.53983370      4.94445112    -16.94034069
  H     13.62496937      6.24730489    -13.24297738
  H     14.40844495      8.24861804    -14.10829043
  O     10.25693570      9.60992240    -12.98558863
  H     12.79456463      4.99440026    -12.88531669
  H     15.07384514     10.54018145    -14.69752032
  O     13.08404805      9.65096550    -16.92554358
  H     18.28271195      5.71646376    -11.34705599
  H     14.85189123     12.00825536    -15.13369617
  O     19.12981239      7.37060291    -11.97164603
  H     16.85912959      5.25069848    -10.98006977
  H     10.31637177      4.19946994    -12.77251928
  O     11.24803830      8.26681202    -15.28501785
  H     14.23558537      4.75028486    -16.29200792
  H     10.93154007      5.07449848    -13.89227175
  O     17.78770180      3.69184653    -13.67799955
  H     13.62190782      4.28725507    -17.62860003
  H     10.69903475      8.04756454    -11.91914548
  O     18.93609941      6.22702335    -14.41946799
  H      9.59612476     10.25767613    -12.75451236
  H     11.00667489      6.53472866    -11.90891730
  O     16.67184599      6.97891864    -15.87844139
  H     11.12309165     10.01727533    -12.81119522
  H     14.84362069      4.78283603    -14.22843451
  O     15.23473965      6.10467259    -10.83626656
  H     13.46487797     10.25454835    -16.27913753
  H     16.23536896      4.17804684    -14.57116088
  O     13.56491346      7.93127855    -13.76427326
  H     12.31647702      9.25388597    -16.49328791
  H     11.00207107      6.45821324    -15.60666472
  O     14.39614806     11.22594444    -14.83300816
  H     20.03417757      7.60943661    -11.78840182
  H     11.88647666      5.27787676    -16.06562303
  O     10.94170050      4.90050832    -12.93340550
  H     19.11098971      7.01593589    -12.87931417
  H     13.64332239      8.61363224     -9.90958147
  O     11.13627958      7.35297917    -11.41499630
  H     10.72434402      8.72962432    -14.62059917
  H     12.52887083      7.59947746    -10.27150984
  O     15.46023805      4.60547244    -14.95544074
  H     12.09036486      8.05806272    -14.85130056
  H     16.36812476      8.42160364    -14.89047130
  O     11.08984944      5.49585844    -15.56693564
  H     17.74161073      4.06497645    -12.77899901
  H     16.28920159      8.90103362    -13.40165909
  O     13.33137055      7.71988409     -9.74053512
  H     18.20846593      2.83981906    -13.60050285
  H     15.11554425     10.70286019     -9.90109407
  O     16.04625493      9.12612905    -14.30964904
  H     18.29006564      6.57933180    -15.04641327
  H     15.43860431      9.60363383    -10.93676994
  O     14.72756049     10.16670294    -10.58858405
  H     18.67572665      5.31036892    -14.26689368
  H     17.49930723      8.16221692    -11.70231937
  O     16.56379135      8.39941894    -11.66374175
  H     16.10515110      7.23833782    -16.62184593
  H     16.08390871      7.59448442    -11.41646908
          69
 Energy    -248.75673657309900     
  O     12.47673219     11.57068521    -11.94075327
  H     12.41631400     10.64779598    -11.64096632
  H     15.26680096      3.35201399    -16.08828405
  O     13.80728337      6.02339495    -14.25087923
  H     11.74912528     12.03803494    -11.53829132
  H     14.02805913      5.62887795    -12.51658478
  O     16.40828779     11.79046432    -14.87228243
  H     14.28714995      6.78873585    -14.60283862
  H     13.38896273      5.37105876    -11.13303743
  O     13.14772775      8.53925091     -8.66412918
  H     14.19466795      5.25436532    -14.68703289
  H     13.45659025      8.87177122    -11.72174638
  O     17.06742784     11.28857185    -10.26538452
  H     15.71637554     11.43829547    -15.44467115
  H     12.69672922      8.73007383    -10.36446076
  O     12.32831974     10.48341589    -14.65399385
  H     16.00146155     11.93935685    -14.00770224
  H     19.37049530      3.66151279    -12.65099214
  O     18.81099046     10.60163878    -14.71930778
  H     14.09230232      8.77248891     -8.66331315
  H     17.87594284      4.05160740    -12.73443023
  O     15.26063434     11.86148017    -12.33111217
  H     12.90548061      8.41677053     -7.75077529
  H     14.04720290     10.72641217    -17.26334967
  O     16.18931835      7.21712579    -10.92502188
  H     17.67681639     10.79344946    -10.84328254
  H     13.59694006     10.55655773    -15.79115329
  O     17.80160103      5.16974236    -15.48951935
  H     17.60766637     11.87597309     -9.74264528
  H     12.26420778      7.18439405    -14.00079920
  O     16.19099377      3.56822899    -12.64775254
  H     12.03265802      9.58354871    -14.44842916
  H     11.84140359      8.14343389    -12.86652617
  O     15.37112416      3.95690621    -15.35887992
  H     12.33303651     10.96397220    -13.82075090
  H     14.99442017      8.93383041    -15.69502853
  O     14.21746511      5.34573308    -11.60605604
  H     17.95817283     11.06618025    -14.80404493
  H     16.21433544      8.10108203    -15.15704892
  O     12.57861596      8.89199468    -11.31125458
  H     19.46448725     11.14095409    -15.15566364
  H     16.05166361      8.35709670     -9.46436141
  O     18.78115355      4.36293291    -12.91490736
  H     15.79208391     11.79325852    -11.52623864
  H     16.20858630      9.87698722     -9.27931338
  O     14.36796221     10.52670639    -16.38848896
  H     14.32566239     11.90712999    -12.09290649
  H     18.78532900      6.18129214    -12.44732505
  O     11.67446630      7.91810182    -13.79249001
  H     15.56034806      6.49322507    -11.02701030
  H     17.74960843      7.09402289    -11.75264736
  O     15.24937940      8.17452716    -15.15689346
  H     15.85141551      7.93541795    -11.48531044
  H     15.21452737     10.02812696    -12.52644937
  O     15.81077640      9.09319517     -8.88441409
  H     18.26519523      4.85177013    -14.70439556
  H     15.08657912      8.79788040    -13.47018949
  O     18.55227270      7.10499664    -12.29673185
  H     17.90492600      6.12968489    -15.47970834
  H     18.79798694      8.96441734    -11.96183378
  O     15.05580471      9.07727480    -12.54666787
  H     15.86549909      3.55116067    -13.55715266
  H     18.79969078     10.21894918    -12.85399052
  O     18.70826005      9.92510509    -11.93950052
  H     15.53175134      4.06487268    -12.14864013
  H     18.15994488      7.64186658    -13.99549897
  O     17.98315011      7.92953693    -14.90373003
  H     16.22114731      4.41418639    -15.49254395
  H     18.34019197      8.82312012    -14.97609284
          69
 Energy    -248.75659145961447     
  O     -5.04420633     -1.06412221      0.44993124
  H     -4.75007384     -0.41477654      1.09944820
  H     -0.87608594     -2.15267092     -1.54483289
  O      1.92685424      1.91379538     -0.78608007
  H     -5.05288515     -1.91588162      0.90309319
  H     -1.78529436      0.69919432     -2.77833061
  O      1.50185947     -2.39160669      0.78888390
  H      2.42285626      2.72464919     -0.85629582
  H     -3.07165526     -0.10100504     -3.05779752
  O     -0.72387884      1.02539847     -1.26349611
  H      2.44555579      1.22723018     -1.24365042
  H      3.55550079     -0.87377393     -1.49786310
  O      2.83844136     -3.70133780     -2.95163047
  H      1.53486174     -1.46590742      1.08652452
  H      2.72084559     -0.44745836     -2.72074753
  O     -4.47197861     -1.05030763     -2.17910858
  H      2.34919960     -2.55628011      0.35353618
  H     -3.96688074     -2.46811790      3.18530566
  O     -1.16397496     -3.86180279     -4.08302748
  H      0.11871965      1.48738492     -1.17385183
  H     -2.51458369     -1.98729443      3.34958434
  O     -2.34031785     -4.08926833      0.74785585
  H     -0.49895949      0.08263779     -1.33056666
  H     -3.96579012     -3.88910372      1.41834979
  O      1.46629142     -1.38137099     -3.71063536
  H      2.43034647     -2.93916131     -3.38547568
  H     -5.34839741     -4.33060060      1.95149779
  O     -3.99777313      0.59719343      2.51620288
  H      2.15328434     -4.37991916     -2.91634509
  H      0.71892345     -4.24042174      0.25086764
  O     -2.48278167     -2.99464027     -1.81048837
  H     -4.69802661     -0.98536580     -1.23419420
  H      0.33903070     -5.11368570     -0.96935335
  O     -0.06753519     -1.63570036     -1.43584343
  H     -5.29644523     -1.15180837     -2.64829244
  H      0.00266649     -4.89115063     -3.31356107
  O     -2.28814906      0.26840325     -3.48199227
  H     -1.73049788     -3.63202504     -3.33190683
  H      0.56872045     -6.32190094     -3.16417911
  O      3.25306046     -0.10260346     -1.98982162
  H     -1.04233555     -3.04312889     -4.57650085
  H      3.54247661     -3.08745517     -1.50982702
  O     -3.42046501     -1.81485672      3.63974894
  H     -1.97193226     -3.35256115      1.25945371
  H      4.72314891     -2.95617827     -0.51522055
  O     -4.79076757     -3.56795071      1.82161809
  H     -1.56756002     -4.60065776      0.46656247
  H      1.68631178      0.85786308      0.77978249
  O      0.13108995     -4.94355492     -0.04142641
  H      0.81389418     -1.27346759     -4.41047070
  H      0.48305397      0.45825112      1.64337102
  O      0.62702387     -5.43983694     -2.80594096
  H      0.94622947     -1.50419198     -2.89971622
  H     -1.09863900     -0.94902468     -6.14573850
  O      3.84155054     -2.64170720     -0.69584048
  H     -4.42649504      1.20772431      3.10981475
  H     -1.39160859     -0.68640558     -4.65206422
  O      1.41091208      0.24826466      1.47563845
  H     -3.81937672     -0.21455976      3.02486857
  H     -2.29800359      0.72421477      1.71284161
  O     -0.87911923     -1.24247321     -5.26561862
  H     -3.20318375     -2.36344149     -1.92797672
  H     -1.34196248      0.78576893      0.47070848
  O     -1.40833857      0.52587619      1.39982755
  H     -2.56669247     -3.39785748     -0.93729893
  H     -0.12633498     -2.33820296      1.90692414
  O     -1.03178908     -2.11302399      2.14492266
  H      0.41208626     -1.95765855     -0.66421446
  H     -1.17780777     -1.20459749      1.83926739
          69
 Energy    -248.75653680412739     
  O     14.64370674      9.28489562    -10.30063609
  H     14.38443210      9.97833905    -10.92311350
  H     16.82462572      4.45562191    -11.32658684
  O     12.53959815     10.48121839    -16.05497400
  H     15.36524778      9.60221509     -9.74368183
  H     12.49008615      6.95695149    -10.63653301
  O     16.56697361     10.96339917    -13.43900965
  H     11.73603668     10.33770660    -16.54954418
  H     13.57511881      7.80697664     -9.95030665
  O     13.63637428      5.14171638    -13.02693468
  H     12.56407994      9.80266272    -15.36138404
  H     18.27866601      8.13017294    -15.25283716
  O     17.34318054      6.92632780     -9.00539854
  H     15.66884271     10.86670628    -13.09474703
  H     19.70366103      7.67051541    -15.63767475
  O     16.03100204     12.90024619    -15.32299543
  H     17.17192336     10.90833188    -12.68536429
  H     12.96359354     12.06151039    -15.01311970
  O     16.12706514      7.70242922    -12.06027156
  H     14.13873566      5.63894621    -13.68335604
  H     14.19562198     12.93759631    -14.73205057
  O     13.93670742     10.76217178    -12.51587420
  H     14.21053407      5.05519223    -12.25644654
  H     13.60823776      8.09212483    -14.24813368
  O     18.91664456      8.04235363    -12.19472750
  H     16.62861737      6.36109030     -9.31579191
  H     12.28185647      8.08173044    -13.44489847
  O     18.18418743     10.55494954    -11.27932131
  H     18.14561274      6.57951092     -9.41533422
  H     15.51276230     11.56236022    -16.60671340
  O     17.42805328      5.26256065    -14.34911599
  H     16.66684883     13.61079106    -15.34061585
  H     14.30441751     10.63191185    -16.80821864
  O     17.68157101      4.29945267    -11.74073279
  H     16.32465843     12.27872526    -14.63509334
  H     12.22076152      6.09845963    -12.60695770
  O     13.13550475      6.94494920     -9.92146109
  H     15.67196621      8.30743145    -11.46037377
  H     10.70926388      6.32412462    -12.36005606
  O     19.02346103      7.56909489    -14.97657398
  H     17.07512737      7.88092062    -12.03586602
  H     14.51818825      5.83393126    -10.26449063
  O     13.33215217     12.68918672    -14.37848411
  H     13.66142238     11.54783337    -13.01001585
  H     15.70296092      6.20131114    -11.18051176
  O     12.84362074      8.63167368    -14.00633979
  H     13.53057647     10.00652560    -12.96123919
  H     18.90233837      5.22698701    -10.97847578
  O     15.23809938     10.73724316    -17.02798248
  H     19.07972492      7.84841335    -13.12593312
  H     20.26530173      5.37209313    -10.25402718
  O     11.55406295      6.76699592    -12.36619069
  H     19.24035200      7.30063626    -11.66703314
  H     15.47385165      7.28174502    -13.58752619
  O     15.32751714      5.47333565    -10.65870059
  H     17.83195389     10.36395190    -10.40250323
  H     15.65294755      7.71794608    -15.04857748
  O     19.50382304      5.86348694    -10.54829757
  H     18.60808620      9.73507268    -11.57170283
  H     17.15797575      9.92123361     -7.93421243
  O     15.15779275      7.10289633    -14.49159686
  H     18.09073706      5.91743421    -14.60024039
  H     17.14340042      8.67408508     -8.84789929
  O     16.99927189      9.63696621     -8.83062043
  H     16.58595297      5.68779736    -14.53978862
  H     16.78736045      9.68169578    -14.72588019
  O     16.80704266      9.10253015    -15.50207622
  H     17.58929415      4.53706542    -12.67534638
  H     16.32341402      9.57659737    -16.19349966
          69
 Energy    -248.75646716531270     
  O     14.42039224     11.87269817    -12.49323227
  H     15.03875840     11.59079528    -13.17764204
  H     18.24242114     10.83420680    -11.77341695
  O     15.68916542      6.56938826    -14.97455233
  H     14.81706962     11.63253692    -11.64768755
  H     15.97863380      7.72121642    -13.60473035
  O     14.76543056      5.86731284    -10.43311839
  H     14.74773984      6.78938900    -15.03495033
  H     17.01628739      8.22074822    -12.55556694
  O     10.85205530      6.03735259    -12.21585484
  H     15.77836362      5.85437256    -14.32988978
  H     12.82109242     11.45264637    -13.02368972
  O     13.02858843      7.32130236    -14.88905667
  H     14.58344613      6.81646331    -10.47537801
  H     11.37260188     11.85818261    -13.39158775
  O     14.39650939      8.57273431    -10.83049666
  H     13.92165475      5.39856367    -10.40240092
  H     14.34727054      3.86331854    -13.12311592
  O     19.72270966      8.74403106    -14.47607110
  H     10.93981481      5.67446562    -13.10560406
  H     13.08314182      3.72599793    -12.25409205
  O     11.63871729      4.89371879    -14.73500940
  H     11.18825256      6.94360981    -12.26023089
  H     12.86383729     10.45317296    -14.98901613
  O     18.71174402      7.83550774    -12.03266620
  H     12.50788463      6.51380976    -14.98128368
  H     13.29603647      9.09167254    -15.56138868
  O     17.47885050      8.49499958    -15.97848629
  H     12.77477790      7.71330511    -14.04120360
  H     16.31329388      5.47177898     -9.61840933
  O     18.55659663      5.01772885    -11.66987197
  H     14.67411673      9.37655011    -10.37684192
  H     17.32655671      5.74065303     -8.49084026
  O     18.05164354     10.38456590    -10.93662566
  H     14.98850567      8.49556042    -11.59841424
  H     15.50368494      5.26350723    -12.03288711
  O     16.12099374      8.35797279    -12.89266956
  H     20.50665375      8.71042996    -15.01748982
  H     16.86956778      4.78426386    -12.55755460
  O     11.98107583     11.12459525    -13.39359080
  H     18.96436652      8.60527918    -15.07144561
  H     11.76448569      5.04623752    -11.13230784
  O     13.42265272      3.58682470    -13.14701788
  H     12.29475733      4.37255402    -14.23822314
  H     11.81728421      3.99277698     -9.99844823
  O     13.47985536     10.03875234    -15.60560074
  H     11.22093963      4.29801040    -15.35079683
  H     17.67690283     11.19510437    -14.00181704
  O     17.21752857      5.28099437     -9.31963873
  H     18.75690841      6.87703542    -11.94054700
  H     19.04646865     10.50822339    -13.88782530
  O     15.93737921      4.85014628    -12.79365527
  H     19.17322089      8.07902155    -12.84831715
  H     11.97263071      9.39143359    -12.76480820
  O     12.36021982      4.46921477    -10.62035798
  H     16.96466455      9.27881952    -15.75414528
  H     12.88197568      8.54115706    -11.83790833
  O     18.52505826     11.24206552    -13.54204611
  H     16.90306823      7.74087802    -15.79055284
  H     15.66441556     11.55978877     -9.27316491
  O     12.16453532      8.48761370    -12.48399373
  H     18.15180432      5.06760821    -10.78512024
  H     16.48958119     10.77232355    -10.31729680
  O     15.58269323     10.98307963    -10.02767183
  H     19.23875047      4.35266173    -11.62456594
  H     16.02506816      9.83248797    -13.92925342
  O     15.95843009     10.56428977    -14.56319140
  H     18.36571437      9.48261067    -11.06644304
  H     15.11761686     10.45223151    -15.03317939
          69
 Energy    -248.75645792786804     
  O     17.56973268     10.20561980    -18.27440431
  H     17.56125543      9.42084252    -18.83406044
  H     20.50055757     10.21125999    -16.81013486
  O     17.32553381     13.11458986    -12.24611658
  H     17.43385340      9.87575789    -17.37004176
  H     16.26232914      9.68634804    -15.46299837
  O     21.31284867      8.88735047    -13.91943553
  H     17.75983491     13.11184328    -13.10708549
  H     17.77881595      9.60338986    -15.07712507
  O     15.11772555      7.22370127    -17.86337763
  H     16.38922290     13.26982795    -12.42479819
  H     16.01939133     11.25001475    -18.26276804
  O     14.59051541     10.72315582    -11.55379867
  H     22.21557089      9.05861069    -13.66799915
  H     15.27352798     12.18236674    -17.27674514
  O     15.06734626      8.31978863    -13.12770870
  H     21.25273839      9.03572037    -14.88231161
  H     16.67696777      8.49452157    -12.26185820
  O     18.27832569     12.59047822    -14.91501807
  H     15.33610811      6.95129432    -16.96245186
  H     17.46874041      9.37540429    -11.25121961
  O     19.44662658      6.88414335    -13.11508436
  H     14.51860168      7.97620006    -17.79041628
  H     14.04941866     10.34394993    -17.89189230
  O     14.52295987     10.15669998    -15.08394737
  H     14.59487763      9.84293402    -11.94561222
  H     12.64433200      9.70418473    -18.02161594
  O     18.60548087      5.44337752    -15.24773616
  H     15.41382835     10.79305081    -11.05329306
  H     17.49334009     11.35456576     -9.60590769
  O     16.14875640      6.78016620    -15.26176513
  H     14.77598032      9.00628977    -13.74841728
  H     17.35115500     11.78010847    -11.08564657
  O     20.90283893      9.39390220    -16.50317045
  H     15.32046708      7.58042493    -13.69577084
  H     19.75545740      9.84621510    -13.78702478
  O     17.12267648      9.33881981    -15.73391072
  H     18.49451701     11.77483478    -14.43485363
  H     18.39586474      9.70469926    -13.05435825
  O     15.16612602     11.67041607    -18.08860814
  H     18.75514725     12.52133172    -15.75015309
  H     14.46247508     12.25264619    -12.43685941
  O     17.55204098      8.64252507    -11.87514653
  H     20.15551470      7.49805125    -13.34586085
  H     13.82159135     13.65794020    -12.49902975
  O     13.50353146      9.58131774    -17.62687829
  H     18.81646605      7.38343520    -12.58099202
  H     18.74562586      7.28017672    -18.03827473
  O     17.20854957     11.04610384    -10.46206507
  H     14.05451010      9.90445244    -15.89009478
  H     19.14381321      6.59303654    -16.70915999
  O     18.86095398     10.20554904    -13.73732671
  H     14.78967138     11.08066831    -15.18368809
  H     16.49109524     12.69779689    -15.29839108
  O     14.52919021     13.12836732    -12.85710117
  H     18.92577252      5.92400496    -14.46289444
  H     15.13119090     13.01113731    -14.61988760
  O     19.43958911      7.22823941    -17.37147082
  H     18.92037499      4.54723646    -15.16637744
  H     19.96683357     12.36403086    -18.06539637
  O     15.53415515     12.71276448    -15.44575740
  H     16.55508531      7.63932036    -15.45698988
  H     18.86177704     11.31852516    -17.79675602
  O     19.55340832     11.85447630    -17.37232950
  H     16.88390665      6.15544190    -15.23692341
  H     17.30080774      7.14341965    -20.15625757
  O     17.36065219      7.61884672    -19.33240704
  H     20.39450469      8.65599634    -16.87607497
  H     16.53779210      7.43822645    -18.84312090
          69
 Energy    -248.75607497819681     
  O      0.77088064      0.49725759      3.01163889
  H      1.05925580      1.39845845      3.19797828
  H     -2.92135627      1.48010488      6.57496717
  O     -3.30476927     -0.81000975     -2.43810168
  H      1.20377227      0.21551429      2.19152104
  H      0.84225835      3.59776414      1.74258689
  O     -0.54072079     -0.70678692      5.18790555
  H     -2.53410210     -0.22982962     -2.40176765
  H     -0.51968176      3.86116842      1.07647206
  O     -1.98718595     -3.34090266     -2.28073867
  H     -2.94209172     -1.70336073     -2.48668204
  H     -3.52938668      1.07868748     -0.05535569
  O     -0.11543160     -1.90606209     -0.69234476
  H     -1.12767531      0.00876720      5.45765309
  H     -2.11508588      1.37930936     -0.63461828
  O     -4.30658006     -2.31240075      3.69439982
  H      0.02905035     -0.34327355      4.49579807
  H     -0.93766832      0.36130471      2.43590377
  O      1.33492465      3.21196113      3.51617041
  H     -1.95257608     -4.10443163     -2.84991667
  H     -2.04306427      0.68667126      1.36927823
  O     -0.92274116      0.59158537     -1.69946525
  H     -2.44762299     -3.61584412     -1.46612507
  H     -2.50009592     -3.50483376      0.69905898
  O     -5.88487803      1.31850166      1.84322402
  H     -0.59797155     -2.44050960     -1.33493500
  H     -3.99806113     -3.55584559      0.38484246
  O     -4.02916972      0.48315998      3.72824471
  H     -0.44714183     -2.17486531      0.17695210
  H      1.73227711      0.62266262     -0.03678728
  O     -2.36843194      3.84906663      1.60903499
  H     -3.44947492     -2.64371969      3.98641296
  H      1.28469449     -0.84578049      0.07465778
  O     -2.46145309      1.38024365      5.74527241
  H     -4.28689326     -1.35587267      3.83289376
  H     -1.75166960      3.54042562      3.39250743
  O      0.41380878      3.71548478      0.88527454
  H      1.92617326      3.64945871      4.12186242
  H     -1.68827417      2.77574076      4.74718192
  O     -2.76609856      1.66642975      0.02204200
  H      0.42896728      3.34709101      3.85226843
  H      1.96236311      2.64951969     -1.63477168
  O     -1.83139159      0.14302062      2.13713594
  H     -0.64792501     -0.26036632     -1.33006117
  H      1.00186013      2.75339751     -0.42594681
  O     -3.14412901     -3.88938478      0.08733007
  H     -0.15103308      1.16951599     -1.65019816
  H     -1.34308351     -3.75922815      5.05904987
  O      1.77007848     -0.15159030      0.53764579
  H     -6.75967134      1.65163656      1.65965575
  H     -1.23300924     -2.24470621      4.76675738
  O     -1.24838204      3.44610225      4.21104951
  H     -5.62012717      0.81808134      1.05552562
  H     -1.59927360     -1.60693587      1.82474175
  O      1.32215274      2.15823225     -1.12740584
  H     -4.72583799      0.83820121      3.16062437
  H     -1.31369745     -2.88878503      2.62241780
  O     -1.63856887     -3.07675139      4.46283379
  H     -3.24596197      0.34583190      3.17033605
  H     -5.00170195     -2.52665567      2.11698636
  O     -1.33480805     -2.53414073      1.72648078
  H     -3.00444625      4.53296247      1.41345574
  H     -6.26600301     -2.93103360      1.32619886
  O     -5.38305991     -2.58576779      1.22277798
  H     -2.59043129      3.09578169      1.03657863
  H     -4.97978019     -1.04836755      0.25723455
  O     -4.82207775     -0.22138338     -0.21659615
  H     -3.11747244      1.07396517      5.09478352
  H     -4.39752521     -0.45485326     -1.05633439
          69
 Energy    -248.75552558506871     
  O     17.33649286      9.55853341    -11.56782356
  H     17.63144526     10.25142944    -10.95771535
  H     17.37974067      4.51048600    -13.46364517
  O     14.45569000      4.61182426     -7.72854637
  H     18.10335399      8.99619531    -11.73947199
  H     15.12636559      5.57648152    -10.78766869
  O     12.27664762      6.35948660     -8.26254202
  H     14.93901426      4.86534579     -8.53274446
  H     15.79655436      6.49133307     -9.75919051
  O     15.13473589      8.69398003    -12.95036952
  H     14.56473641      3.66978539     -7.62664889
  H     19.23316091      7.39884313    -13.45765892
  O     19.54715374      7.89831544    -11.68777067
  H     12.93380206      5.68387967     -8.05745956
  H     18.79680906      6.02218500    -13.97085128
  O     20.51897940      9.20117626     -9.36095365
  H     12.40370879      7.06513551     -7.61540920
  H     16.82340398     11.27300373     -6.42877804
  O     18.41012332      5.55519930    -10.61597341
  H     15.45436496      8.40543198    -13.81408238
  H     16.88092122      9.86612503     -7.06556973
  O     11.81852125      7.10419664    -10.79651274
  H     15.90946305      9.06699337    -12.50136898
  H     16.48979845      7.87085311    -16.13007315
  O     13.90012028     10.36211992     -8.00599163
  H     20.01960358      8.37447519    -10.99435133
  H     17.32115919      7.44159478    -14.89900857
  O     13.57477373      9.32336676    -10.64242734
  H     19.17871807      7.10037873    -11.28034330
  H     16.52717577      8.65072521    -10.22145789
  O     12.86789457      8.41540040     -6.42168129
  H     21.41090633      9.32324260     -9.04683089
  H     15.05142828      8.56660805     -9.77695459
  O     18.29188651      4.34116789    -13.16616776
  H     20.16388897      8.41767080     -8.90280422
  H     19.12194619     10.52785590     -9.39890747
  O     15.67774288      5.55752110     -9.99441321
  H     18.49117527      5.05213058    -11.43698213
  H     17.81260782     11.06608719     -8.76340524
  O     18.86292710      6.94985129    -14.22896607
  H     17.47705022      5.49023695    -10.37198800
  H     14.31574071      7.27984260     -5.94782612
  O     16.67956195     10.79995211     -7.24524439
  H     10.88468955      7.06210955    -10.98278756
  H     14.88778291      5.91842034     -6.39019268
  O     16.41392540      7.58996660    -15.22204503
  H     11.93918050      6.79851617     -9.87877371
  H     13.23890445      6.38015470    -11.78881663
  O     15.93482886      8.22886990     -9.58478003
  H     14.82887502     10.58884150     -7.87888885
  H     14.48152643      7.04194156    -12.42611839
  O     18.34886564     11.08303427     -9.56508138
  H     13.75913307     10.22546654     -8.95118061
  H     18.60739632      7.28380025     -7.77827145
  O     15.07935664      6.69611222     -5.85193232
  H     14.00723173      9.30165084    -11.50623037
  H     19.08120040      6.37181715     -8.94877494
  O     14.09656848      6.18582487    -12.18513874
  H     12.88384420      8.64868133    -10.67358307
  H     16.46063580      7.57930422     -6.55079972
  O     19.38266524      6.99992719     -8.28253481
  H     13.22797833      9.13496560     -6.96915091
  H     16.65838807      8.13874205     -7.98503646
  O     17.07041612      8.08425632     -7.10782769
  H     12.28114187      8.82065294     -5.78846296
  H     15.12084696      5.26171256    -13.44028984
  O     15.82037413      5.03395472    -14.06648876
  H     18.54138186      3.49028630    -13.51691002
  H     15.95393286      5.83025774    -14.59607187
          69
 Ord_Energy   -248.755417    
 O   -6.08821344       4.97220039      -1.77978611    
 H   -5.38090134       5.63874960      -1.70343685    
 H   -6.47137642       5.07802200      -2.64683843    
 O   -1.03938329       7.34798050       2.36035585    
 H   -1.88579738       7.10405922       2.76127839    
 H   -1.22265148       8.06675625       1.73717344    
 O   -4.76070166       2.55891395     -0.966553807    
 H   -3.87532759       2.89785361     -0.776435018    
 H   -5.25657845       3.31441689      -1.30704296    
 O  -0.380824000       5.68281746      0.190592527    
 H  -0.632609129       6.26665449      0.919867337    
 H   0.203131154       5.01351547      0.573896170    
 O   -5.54881811       2.20507288       1.63893068    
 H   -5.32641506       2.18718863      0.694866717    
 H   -4.94254398       1.61769259       2.10257864    
 O   -2.52867579       3.88733387      0.128647476    
 H   -3.25597453       4.35981798      0.561049223    
 H   -1.80542636       4.51719522       2.87440792E-02
 O   -7.70597649       3.74855447       2.46854281    
 H   -7.08697271       3.06776309       2.16547942    
 H   -7.38350916       4.01231003       3.33737636    
 O   -4.62739038       4.86077547       1.65345383    
 H   -4.90596914       3.94568753       1.79574096    
 H   -5.39922762       5.31945419       1.30040836    
 O   -3.59480333      0.838383555       3.15780854    
 H   -2.81209183       1.32160425       2.84137702    
 H   -3.33734822      -7.51072317E-02   3.24904108    
 O   -1.36549485       7.23017931      -1.83201194    
 H  -0.813378572       7.25813437      -2.60922837    
 H  -0.926388502       6.63548660      -1.20038009    
 O   0.931553900       3.83899903       1.76177728    
 H   0.974771678       4.41638756       2.53474426    
 H   0.238310859       3.19597340       1.95402801    
 O   -5.83181000       7.10292625       4.69317818    
 H   -6.10736084       6.18011808       4.81654072    
 H   -6.11327600       7.58037663       5.46991587    
 O   -6.49913788       4.42837954       5.04212618    
 H   -5.67662287       3.90833187       5.00439358    
 H   -7.02963829       4.04063845       5.73455000    
 O   -4.18373394       6.86905289      -1.45494425    
 H   -3.24452710       6.92215633      -1.66468847    
 H   -4.37577438       7.63695288     -0.902729630    
 O   -1.78856325       9.05329323      0.369240731    
 H   -2.74938726       9.15702343      0.388630599    
 H   -1.59488869       8.59651184     -0.457943648    
 O   0.618741989       5.76634455       3.88973737    
 H   0.116242610       6.41476345       3.36684155    
 H    1.28117001       6.25663567       4.36992931    
 O   -4.61343384       9.14641571      0.212409526    
 H   -5.05030823       9.92358017     -0.127717093    
 H   -5.19180441       8.79198742      0.910122216    
 O   -3.38642836       6.41544628       3.48701930    
 H   -4.10724783       6.79722691       3.99826598    
 H   -3.80607295       5.87281704       2.79964495    
 O   -7.12084866       5.78924704      0.720140398    
 H   -7.46973848       5.06527472       1.26327026    
 H   -6.94304085       5.45497704     -0.167179421    
 O   -1.58071256       2.50254631       2.34912133    
 H   -1.91358519       2.91817117       1.53975320    
 H   -1.65661418       3.15533447       3.06018424    
 O   -4.20486879       2.97853994       4.96998692    
 H   -4.09055233       2.17239690       4.45330572    
 H   -3.34471250       3.41697240       4.96337414    
 O   -6.31186485       8.07721424       2.01302814    
 H   -6.20420313       7.79956865       2.92799401    
 H   -6.72770023       7.33530760       1.54810011    
 O   -1.79679739       4.37806797       4.43746328    
 H  -0.908343554       4.75243759       4.44724035    
 H   -2.38226724       5.10236645       4.16757870    
          69
 Ord_Energy   -248.755264    
 O    4.93930531      -3.65134335       7.21754694    
 H    4.09875250      -3.43008137       6.79525852    
 H    4.72209072      -4.09382772       8.05085278    
 O   0.876089513      -2.32994509       7.93852949    
 H   0.983664393      -2.93065143       8.68536854    
 H    1.44614851      -2.64877033       7.22216225    
 O   0.375955790       1.76856422       7.38856316    
 H   -6.55491427E-02  0.977956414       7.02583218    
 H  -0.308641464       2.39509201       7.60720158    
 O    2.66851568      -1.54216731       11.2313232    
 H    3.62635159      -1.64239633       11.1643877    
 H    2.41585064     -0.849963188       10.6060534    
 O    3.28508854      -3.89343238       3.34109807    
 H    3.13538051      -4.71940660       2.88968778    
 H    4.19302130      -3.92475963       3.69479227    
 O    4.21165085      -4.50955820       9.72172546    
 H    3.26628542      -4.40141964       9.88221264    
 H    4.64518881      -3.82196140       10.2418909    
 O    6.14650297      -1.04463518       4.42447281    
 H    5.97016621     -0.465287536       3.67176104    
 H    6.80145931     -0.631241500       5.00073528    
 O    2.93617702      -1.21749651       2.45257759    
 H    2.08963752     -0.950579405       2.82962132    
 H    3.05195689      -2.14887524       2.67758560    
 O    2.04544497       1.58297956       5.09060431    
 H    2.66043019      0.864972889       5.31416607    
 H    1.55568731       1.79597318       5.89405441    
 O    7.77051020       4.14072312E-02   6.44024706    
 H    7.25185442      0.868061781       6.46799660    
 H    8.69056892      0.289192438       6.45826530    
 O   0.537987173     -0.204012111       3.65010214    
 H   -9.12047625E-02  0.207684547       3.06104589    
 H    1.02744544      0.517743826       4.08113432    
 O    6.14322758       2.16252017       6.51513720    
 H    5.63537788       2.39000201       5.72302151    
 H    5.50662756       1.86735463       7.17927456    
 O    4.58070803       2.57520390       4.23905849    
 H    3.65348458       2.44344068       4.47251701    
 H    4.76221037       1.93554389       3.53998685    
 O    2.56898713      -2.90448475       5.88349676    
 H    2.65380192      -3.31574988       5.01612329    
 H    2.92201400      -2.00335646       5.80463791    
 O    5.06637669      0.463065088       2.34091020    
 H    4.28634071     -0.121154748       2.34251213    
 H    5.29785776      0.608878791       1.42749488    
 O    3.76097775     -0.456648529       5.78670931    
 H    4.02673817      -6.00329116E-02   6.62707615    
 H    4.56622410     -0.645845294       5.28828430    
 O    5.71809721      -3.79274011       4.51101875    
 H    5.96981287      -2.86379266       4.40601110    
 H    5.61049557      -3.92212462       5.46244764    
 O    6.24810553      -1.47640336       8.32270908    
 H    5.84123707      -2.22206664       7.85475302    
 H    6.86538744      -1.04651904       7.71942854    
 O    5.44547415      -2.15415359       10.8734550    
 H    6.15172005      -2.09527659       11.5126200    
 H    5.82395697      -1.89350760       10.0181293    
 O    1.48056972      -3.78880286       10.2781420    
 H   0.916986823      -4.21131325       10.9209795    
 H    1.85698032      -2.99931598       10.7084894    
 O    1.90309072       4.36821282E-02   9.02412796    
 H    1.57693279     -0.783217072       8.63945484    
 H    1.39249742      0.749723911       8.61031723    
 O    4.46702814      0.677062869       8.21924496    
 H    5.05588102      -6.54381365E-02   8.41217804    
 H    3.60283160      0.483930171       8.60724831    
 O  -0.580288768     -0.533508778       6.33008766    
 H  -0.252085000     -0.645260036       5.43084526    
 H  -0.206496209      -1.25014687       6.86133289    
          69
 Energy    -248.75523186925011     
  O     14.00563327      6.47011492     -9.32996095
  H     13.29905008      5.89849134     -9.65333645
  H     12.12720382      7.33512865    -15.04966063
  O     14.90245360      7.27045200    -16.91856859
  H     14.83154839      6.13297218     -9.70073450
  H     15.81365672     10.58915890    -13.37496146
  O     18.02934546      8.81907761    -14.63421906
  H     14.59168891      6.93605106    -17.75625276
  H     15.51837955      9.13261444    -12.93245965
  O     10.94688103      6.11755603    -14.33798826
  H     14.11339030      7.49591764    -16.39692541
  H     14.57312111      6.90497558    -12.87287122
  O     19.08520977      5.12506738    -10.89291723
  H     18.90136599      8.68988283    -14.24335538
  H     13.65682367      8.06455803    -12.31177318
  O     12.69786806      4.26590742    -12.94499578
  H     17.46063307      9.20462800    -13.95110650
  H     12.24139014      4.55234403    -11.29040048
  O     16.77969235      8.79052892    -10.40955788
  H     10.77857817      6.45247999    -13.43768649
  H     11.57063329      4.06890264     -9.98290821
  O     12.39747660      9.08239401    -11.40723033
  H     10.10755652      5.81973700    -14.67865063
  H     21.29235409      8.43365374    -13.32446183
  O     19.21381820      5.52819872    -13.57739178
  H     19.60205700      4.36727628    -10.63426093
  H     20.09992518      8.15753097    -12.37594781
  O     15.01262382     11.60519954    -14.73765786
  H     19.12683206      5.17829491    -11.86497414
  H     15.88244721      5.53067429    -13.73613268
  O     12.55688490     10.47718583    -13.80436658
  H     12.18348238      4.81861036    -13.54420296
  H     15.75531130      5.39403027    -12.18305328
  O     12.84089775      7.95493879    -15.25045062
  H     13.62738572      4.51143790    -13.05800832
  H     15.70891564      9.01398024    -16.73545531
  O     16.17261728      9.84873592    -12.87267478
  H     15.99272086      8.99233011     -9.88908925
  H     16.93446401      9.53561187    -15.97081431
  O     14.34042359      7.83686206    -12.95559447
  H     16.65839584      9.25232430    -11.25230650
  H     17.28685875      7.17841455    -14.89037113
  O     11.96687192      4.83039751    -10.39798091
  H     12.44542102      9.72816781    -12.12925182
  H     16.23296116      6.48283842    -15.76367386
  O     20.38550976      8.14081118    -13.30723340
  H     12.97966163      9.34861110    -10.68723889
  H     19.40636918      7.01512159    -10.63788880
  O     15.29750547      5.24187871    -13.02222757
  H     19.69357001      6.36561546    -13.61816013
  H     18.61397618      8.33772254    -10.51861645
  O     16.14966892      9.82474905    -16.45708181
  H     18.45913169      5.62062191    -14.17054215
  H     10.99963242      6.27117254    -11.20074308
  O     16.87542385      6.31854710    -15.06341667
  H     15.36556805     11.00871124    -15.42213059
  H     11.16298020      7.75815919    -11.58764117
  O     19.47434384      7.97046896    -10.75943116
  H     15.17654021     12.49494128    -15.03854346
  H     17.33686433      5.59843540    -10.60273867
  O     10.65800762      6.95708699    -11.78689768
  H     13.33456705     10.96041182    -14.10936883
  H     16.57875603      6.95297973    -10.60305974
  O     16.45638091      5.99315901    -10.62733512
  H     12.45332741      9.74834137    -14.42772833
  H     14.02182101      9.47196500     -8.33291608
  O     14.22305156      9.15187296     -9.20850065
  H     13.41730063      7.95605329    -14.46944702
  H     14.08414617      8.18567082     -9.19256912
          69
 Energy    -248.75514760380685     
  O     12.10200391     11.27352929    -13.71063026
  H     12.30759011     10.81247169    -14.53541660
  H     17.93173171      8.09120418    -16.66816136
  O     15.84197777      6.78443368    -13.63001807
  H     12.74650675     11.98445453    -13.61805801
  H     15.62641845     13.53960716    -16.40877366
  O     18.02942242     10.19116027    -11.88147588
  H     15.38308467      6.69010415    -12.78459576
  H     16.27239248     12.44104935    -15.55169655
  O     16.90772060     10.76697631    -15.66086588
  H     16.74792722      7.07517864    -13.45567099
  H     15.30080842      8.48798522    -13.96303966
  O     12.12061393      6.99580890    -15.58960194
  H     17.16739715     10.62580636    -11.88711447
  H     14.29240498      9.46793746    -14.64593396
  O     15.95855363      8.45324400     -8.48511213
  H     18.21699679      9.98224235    -10.95757901
  H     10.67006315      9.87072404    -11.30346336
  O     14.40914333      6.72582473    -11.27540541
  H     17.64374001     10.16535760    -15.81166592
  H     11.72349254     10.24404487    -12.37246349
  O     15.36620206     11.10994275    -11.98746042
  H     16.31007207     10.30172275    -15.05429324
  H     18.56581512      7.04249397    -11.61384642
  O     16.30785715      5.76785086     -9.47589910
  H     12.11078197      7.00766719    -14.61478350
  H     18.63973129      7.61136440    -10.18380996
  O     16.61303688      7.38202769    -17.71576443
  H     11.33446674      6.53241595    -15.86546098
  H     11.84725822      7.96961482    -12.48780485
  O     14.81617207      6.22389001    -16.11178635
  H     15.98947172      7.50782020     -8.67705188
  H     12.86520530      6.82467760    -12.34886920
  O     18.60296083      8.51818310    -16.11161186
  H     15.22329899      8.81031845     -9.00087787
  H     18.25189560      8.74610783    -12.85944745
  O     15.75669851     13.26195442    -15.50484657
  H     14.97592192      6.27044409    -10.64053794
  H     18.54586780      8.06873159    -14.23116457
  O     15.08490892      9.41878464    -14.09690384
  H     14.31402956      7.63634088    -10.96010888
  H     17.55176444      9.04450460     -8.91381404
  O     11.52948577      9.63144652    -11.64011450
  H     15.22945358     10.48125989    -12.71592262
  H     18.92957966      9.60414694     -8.48942236
  O     18.51028350      6.79414839    -10.68277877
  H     14.98990877     11.94389170    -12.28838706
  H     15.69331284     10.30325486    -17.06209856
  O     12.13798087      7.14529689    -12.89692123
  H     17.11649076      6.05892211     -9.93547604
  H     15.49256935      8.99039308    -17.80572952
  O     18.34754483      7.88808260    -13.30681815
  H     16.51807201      4.94597998     -9.04172644
  H     14.54394989     10.00635537    -10.82464489
  O     18.44551743      9.25953466     -9.23467213
  H     15.95716324      6.93055636    -17.15203801
  H     13.11665461      9.44890872    -10.65094332
  O     15.06652521      9.83719743    -17.63043987
  H     16.69450033      6.85863050    -18.50860940
  H     13.97949912     14.18108192    -13.04528379
  O     14.02662376      9.34073183    -10.34802913
  H     15.19298906      6.29083581    -15.22136807
  H     14.70291053     13.31306602    -14.09898679
  O     14.12743599     13.27844530    -13.31559794
  H     13.87797012      6.42256341    -16.01835663
  H     13.57314545      9.74991495    -16.58421445
  O     12.93555182      9.67201203    -15.85931774
  H     19.43015649      8.45505310    -16.58404031
  H     12.58152642      8.77338353    -15.87254809
          69
 Energy    -248.75494607096061     
  O     17.36643333     10.14338103    -10.63553845
  H     18.01919656      9.46269629    -10.85078336
  H     14.01200069      9.68967208     -5.51390361
  O     14.30877707      6.07175237     -6.18388210
  H     17.73527730     10.75732064     -9.98895693
  H     17.07733857      5.09022425    -11.71381546
  O     18.11415728     11.76466901     -8.41538341
  H     14.58934270      6.06744365     -7.11405943
  H     17.10229938      3.99794988    -12.80531728
  O     12.98369273      8.57531937     -6.34217154
  H     14.09008397      5.17093250     -5.95882316
  H     15.51662851      7.23878319     -8.60021572
  O     14.82964277      9.85509927    -11.63851190
  H     18.75391681     11.10411703     -8.09200174
  H     14.45728832      6.59808896     -9.50566020
  O     18.81846751      7.87373742    -11.23886348
  H     18.56120524     12.60698902     -8.40656024
  H     16.91337800      7.87149286    -13.89717226
  O     21.00341950      8.07853692     -9.58792972
  H     13.32034436      7.67457606     -6.25504718
  H     17.44980575      6.49180619    -13.47498466
  O     17.47666521      5.66649475    -10.07683664
  H     12.57235295      8.63042211     -7.21283989
  H     14.85083163      9.17278083    -14.79095196
  O     11.88600031      8.72212603     -8.95282674
  H     14.28655374     10.38655452    -11.03770377
  H     15.00411418      9.13315351    -13.25473761
  O     15.40180871     11.26979158     -7.57960450
  H     15.74815140      9.99715636    -11.36851930
  H     15.81733518      9.53767883     -8.05665217
  O     13.44383399     11.06776747     -9.62029554
  H     18.56474790      7.79832765    -12.17100527
  H     16.66669972      9.12284999     -9.26332564
  O     14.69154915     10.23871016     -5.07918339
  H     18.35016993      7.16378741    -10.77890321
  H     19.33107621      9.17017134     -7.12332083
  O     16.81569819      4.89050951    -12.62838252
  H     20.30299688      8.03162495    -10.26045743
  H     20.32579495      9.30301196     -8.29202607
  O     15.08444647      6.39151551     -8.80093468
  H     21.83398970      8.01340709    -10.05244853
  H     15.72671503      8.61577220     -4.73497345
  O     17.72473429      7.39378774    -13.68568327
  H     18.17758651      5.63829711     -9.40730829
  H     15.53853580      7.13352619     -5.11130059
  O     15.16709203      8.63193603    -14.07161797
  H     16.64127240      5.81758412     -9.61686472
  H     13.62426627      6.90448624    -11.56458991
  O     16.27314429      8.78356768     -8.45050041
  H     12.38532379      8.22033165     -9.61810731
  H     14.00419521      8.30163237    -11.02895033
  O     19.81197152      9.81742604     -7.65845961
  H     10.96520207      8.65133592     -9.19407720
  H     19.02353490      6.56083560     -7.54180950
  O     16.15253969      7.75105122     -4.69513691
  H     16.31969161     11.53346761     -7.72304202
  H     20.13188663      6.59687504     -8.60530916
  O     13.51371147      7.49747324    -10.80751171
  H     15.26994737     11.07031247     -6.64292201
  H     17.60027734      7.77914118     -5.79246145
  O     19.44553258      6.03144867     -8.23420264
  H     14.06225852     11.24188283     -8.89776763
  H     17.53162421      8.18626811     -7.27187783
  O     18.14027058      7.87149465     -6.58820441
  H     12.83306086     10.39466189     -9.29914291
  H     14.51152078      6.90564606    -13.53068558
  O     14.25446316      6.11383370    -13.04024011
  H     14.27595814     10.64051157     -4.32042494
  H     15.06624616      5.60570957    -12.92054439
          69
 Energy    -248.75490112342953     
  O     -5.23216513      6.08642145     -8.58540184
  H     -5.87708893      5.39283503     -8.76673850
  H     -2.59005040      2.22187976     -4.57781816
  O     -7.07960145      3.20488823     -6.01640481
  H     -4.49212830      5.97676297     -9.19459476
  H      0.67096772      1.44212412    -12.36392734
  O     -4.02011743      5.57784105     -6.21202804
  H     -6.51593976      3.58725520     -5.33326265
  H     -0.20872211      0.79221051    -11.27071368
  O     -3.47442181     -0.25217406     -9.39212664
  H     -6.75205149      2.30484074     -6.14303080
  H     -1.56283479      1.26483383     -6.44620943
  O     -3.89003059      2.97755521     -7.30915726
  H     -4.54612339      5.89939905     -6.96005659
  H     -0.95968979      2.67462465     -6.73940089
  O     -7.32680688      4.10494856     -8.59504096
  H     -3.09170526      5.73736610     -6.43744632
  H      0.59500549      2.92680477     -8.23648023
  O     -3.94120613     -0.44467666     -4.85289203
  H     -3.48336483      0.68221111     -9.64965835
  H     -0.60642831      3.63701617     -8.88251083
  O     -0.94238684     -0.64807940    -10.60074002
  H     -4.40126197     -0.51255063     -9.35120712
  H     -6.98012190     -1.02591987     -8.85455299
  O     -2.07438086     -0.45081798     -6.98840297
  H     -4.03794637      3.88472412     -7.01868021
  H     -6.12498469      0.04804103     -8.13912763
  O      0.38694727     -1.00639905     -8.09480216
  H     -3.05742826      2.69673431     -6.90500387
  H     -0.91278674      5.19614017     -7.44783029
  O     -6.43021141      2.13221611    -10.42840012
  H     -7.25882008      3.82405252     -7.66670785
  H     -1.89391588      6.09043054     -8.22311602
  O     -3.31672765      2.01387404     -3.97391743
  H     -8.17671344      4.53086850     -8.68462599
  H     -2.22025166      5.24469660    -10.29540834
  O      0.25769110      1.60971193    -11.52097357
  H     -4.10195460     -1.05413732     -4.13804971
  H     -2.48217981      6.72595710    -10.63358767
  O     -1.52902889      2.17854136     -6.13416039
  H     -3.72420137      0.41627827     -4.44764526
  H     -5.14617768      0.37230117     -6.01749550
  O     -0.11704088      3.55644267     -8.05304457
  H     -1.86284073     -0.63016523    -10.30974137
  H     -5.03999530      1.63905145     -6.91002870
  O     -6.28847351     -0.38465487     -8.99541853
  H     -0.42678717     -0.89692084     -9.82326687
  H     -4.67305019      2.38523991    -10.30346949
  O     -1.54942166      5.91307850     -7.33871000
  H     -2.68490525     -0.58084437     -6.25277443
  H     -3.81173115      2.69798021     -9.04637039
  O     -2.69040935      6.04142337    -10.00131061
  H     -2.60131427     -0.39619340     -7.79964849
  H     -4.71282466      4.79140039     -4.83452425
  O     -5.61740032      0.89459667     -6.67728413
  H      0.83460202     -1.73264142     -7.66756995
  H     -5.30945669      4.79677045     -3.40826546
  O     -3.76323265      2.42869051     -9.97650472
  H     -0.44493292     -0.86871472     -7.61277254
  H     -0.82115376      3.03874766    -10.99505165
  O     -5.13425140      4.23219152     -4.15711189
  H     -6.80805145      2.77674241     -9.81456820
  H     -2.27002552      3.17749600    -10.44994752
  O     -1.43073598      3.65207084    -10.56780292
  H     -6.52998542      1.26488051    -10.01812641
  H      1.24042678      1.56559473     -9.83702333
  O      1.52579931      1.52567804     -8.91555003
  H     -3.92843173      2.75927693     -4.00163653
  H      1.23198252      0.66726390     -8.58787143
          69
 Energy    -248.75488706037370     
  O     -3.15307474     -2.26906278     -1.03715586
  H     -3.63943142     -2.00145200     -1.81249399
  H     -0.40502367     -6.48208208      1.13078900
  O     -3.35353701     -0.76026293      6.05864307
  H     -3.75865288     -2.80897920     -0.49779748
  H      2.45579921     -1.49263747      3.73804756
  O      1.56878235      0.09170643      3.18081745
  H     -3.97948341     -1.48922701      6.15016899
  H      2.64286417     -2.95324930      3.26071041
  O     -3.40622821     -0.44316952      3.28367049
  H     -2.50036671     -1.13311114      6.31233221
  H      0.35952300     -3.62698336      2.21818783
  O      1.67027397     -3.50333597      6.24294707
  H      1.60772165      0.96936062      3.55240833
  H     -0.80071960     -3.48436206      1.21131716
  O     -4.88913603     -3.21079459      6.07098459
  H      0.69913365     -0.27607958      3.42007770
  H     -3.01591058     -5.45495143      2.59319639
  O     -0.87067144     -2.25246016      6.21811449
  H     -3.90541755     -1.25486922      3.11881655
  H     -1.89616198     -4.39864260      2.87284224
  O      0.19655370     -5.58545803      4.98382236
  H     -3.44488968     -0.32498343      4.24488184
  H      2.07457484     -3.74772772      0.95122778
  O     -2.02184219     -0.29849495      0.71037501
  H      2.34991483     -3.59013128      6.90574991
  H      1.87186538     -4.96445572      1.93321920
  O      0.93588927     -6.50462670      2.51122804
  H      2.08322640     -3.07451659      5.47138284
  H     -5.01866654     -2.96545802      4.13679131
  O     -3.66351006     -6.40303743      1.14395018
  H     -5.48948093     -3.54904965      6.73061239
  H     -3.97814877     -3.56037844      3.18375319
  O     -1.07198111     -6.45725072      0.43478471
  H     -4.08355597     -3.75119931      6.12603820
  H      2.27994748     -2.54926024     -1.33368032
  O      2.71536338     -2.37386887      4.03156717
  H      0.00375212     -2.61687982      6.39926659
  H      1.36525309     -1.94010617     -0.23992052
  O     -0.58298742     -3.43269263      2.15094771
  H     -0.81115415     -1.86347318      5.33192866
  H     -0.69097916     -1.94101009      3.09642230
  O     -2.68883385     -4.81756960      3.23854937
  H      0.75778960     -4.93145377      5.42042075
  H     -1.66829682     -0.83075635      3.54654863
  O      2.14840502     -4.04080993      1.86881292
  H     -0.67743490     -5.46968293      5.36845288
  H      1.12033377     -0.25095524      1.34865824
  O     -4.71971673     -2.93659561      3.22089022
  H     -2.56746041     -0.21213431      1.49999259
  H     -0.21315910     -0.41252599      0.57722912
  O      1.66783120     -2.77839739     -0.64024085
  H     -2.48113121     -0.91162335      0.12409599
  H     -0.05193490     -3.46407634     -0.79215304
  O     -0.77802523     -1.17808078      3.68635813
  H      1.35480865     -7.35015720      2.65418645
  H     -1.61441135     -3.28134203     -0.87424441
  O      0.74313383     -0.55666808      0.51683942
  H      0.63420214     -6.19752074      3.38457798
  H     -1.90445992     -3.75279591      6.06063087
  O     -0.90447828     -3.87013429     -0.58782697
  H     -4.07984166     -7.25777711      1.07714159
  H     -2.55283509     -4.68674289      4.98675291
  O     -2.44641574     -4.54783390      5.94179506
  H     -2.74874811     -6.50683917      0.82387109
  H     -4.92155390     -3.45024715      1.41260113
  O     -4.72513671     -3.80236767      0.53464496
  H     -0.96686891     -5.61018143     -0.02226121
  H     -4.44026890     -4.71508821      0.66566876
          69
 Ord_Energy   -248.754288    
 O   -11.8382387      -3.28612614       3.42872405    
 H   -11.4887342      -4.03778696       3.93058920    
 H   -11.7521629      -2.52599812       4.01297665    
 O   -4.27995920      -2.15611172       6.03626585    
 H   -4.41278744      -2.44343328       5.11619759    
 H   -3.49640107      -2.59776807       6.35410595    
 O   -8.74176884      -2.58259559       3.68769503    
 H   -8.04382038      -1.93766356       3.51414657    
 H   -9.18314934      -2.77140164       2.85003734    
 O   -7.48060417      0.147852197      0.672708154    
 H   -8.42671776       5.30915987E-03  0.544309080    
 H   -7.00531435     -0.529702365      0.174795151    
 O   -10.0999880      -2.99889398       1.29763603    
 H   -10.2119684      -2.09856415      0.966631234    
 H   -10.8296032      -3.17043352       1.91410220    
 O   -4.59390497      0.640253246       5.49598360    
 H   -4.30108356      0.783450246       4.58677864    
 H   -4.39813566     -0.278522342       5.71669388    
 O   -6.97921753      -2.74430203       6.84786987    
 H   -6.05488873      -2.55879211       6.64662170    
 H   -7.22836447      -3.51906157       6.32781744    
 O   -7.49677420      -3.98938060      0.789574444    
 H   -7.01969051      -3.28250527      0.339896530    
 H   -8.42361927      -3.72228909      0.844744861    
 O   -10.2495613     -0.277887493      0.551415384    
 H   -10.3698082      0.135367334       1.42754018    
 H   -10.9087839       9.93588269E-02  -2.46955995E-02
 O   -5.92977238      -1.89160931     -0.425744683    
 H   -5.57006359      -2.00948143      -1.30120969    
 H   -5.18180132      -1.66642785      0.156442806    
 O   -4.89064550      -2.78559041       3.46551776    
 H   -5.56666374      -2.09608674       3.36072087    
 H   -5.29305172      -3.63476038       3.24578285    
 O   -3.95949364       1.25616384       2.74925709    
 H   -4.79776192       1.67135596       2.47946262    
 H   -3.27669168       1.90483189       2.59413838    
 O   -10.6031475      -1.08189213       5.02744865    
 H   -10.1581774     -0.886569560       5.85873127    
 H   -9.98373795      -1.66338325       4.55735826    
 O   -3.95778775      -1.23941553       1.32680762    
 H   -3.92070746     -0.374660522       1.75422263    
 H   -4.08448887      -1.87462676       2.04439545    
 O   -6.15303755      -5.20941019       2.78827453    
 H   -6.67993736      -4.81496429       2.06876493    
 H   -5.77337027      -6.01075172       2.43813157    
 O   -8.69262981     -0.675736547       7.15951633    
 H   -8.10710335      -1.44985282       7.07089806    
 H   -8.84612465     -0.558604062       8.09338284    
 O   -6.33625793       2.33019853       1.94768000    
 H   -6.73420048       1.68305552       1.34820318    
 H   -7.05018711       2.61460352       2.52993560    
 O   -10.4277506      0.833752751       2.97614384    
 H   -9.82176113       1.53349686       3.24402595    
 H   -10.5505800      0.250184536       3.73702526    
 O   -7.85633707      -4.73554611       5.02633762    
 H   -8.21245575      -3.93784976       4.59535265    
 H   -7.24376202      -5.10240126       4.37937355    
 O   -10.6149139      -5.35706139       4.91205883    
 H   -10.8863754      -5.99274921       5.57024813    
 H   -9.65751553      -5.26037788       5.01855469    
 O   -7.27745914      0.976832867       5.38491917    
 H   -6.32516956      0.935041547       5.56509256    
 H   -7.74773121      0.447236270       6.04007769    
 O   -6.78564358     -0.788517475       3.23082757    
 H   -7.00826168     -0.384108543       2.38275647    
 H   -6.93062544     -0.137499601       3.92843318    
 O   -8.48626328       2.78454757       3.78791165    
 H   -8.69342613       3.59084320       4.25368786    
 H   -8.05609798       2.19121385       4.42972660    
          69
 Energy    -248.75428065795245     
  O     17.25599103      9.83421481     -9.99485055
  H     16.90515451      9.31135232    -10.73012850
  H     12.64698674      9.44837341     -8.15910890
  O     13.58896098      5.09431510     -6.85133140
  H     18.06104240      9.39287035     -9.68776384
  H     12.48364719      8.04605251     -6.18337106
  O     17.01258707     12.36626439     -9.05225935
  H     13.63452480      5.71812185     -6.11621352
  H     11.59107628      7.56964695     -7.33972142
  O     11.21524354      5.94092578     -8.21330456
  H     12.72333959      5.23740054     -7.25472357
  H     19.19206290      5.77837315    -11.31987841
  O     16.25233596      8.14821181    -11.90647588
  H     17.24560345     13.01137154     -9.71467535
  H     19.71680181      4.32229592    -11.31122096
  O     19.38680379      8.33858916     -9.15910373
  H     17.08757206     11.49111817     -9.47168776
  H     14.84603721      5.44761088     -8.05800810
  O     20.11438003      9.46587126     -6.71208211
  H     11.75663744      6.10938690     -9.00580850
  H     15.43337776      6.78947971     -8.60025505
  O     18.24875761      5.89169468     -8.37963754
  H     10.42859268      5.49063698     -8.50772870
  H     19.39188557      7.88941164    -11.00537708
  O     12.94600910      6.41844115    -10.23608520
  H     15.33502461      8.44189192    -11.84774527
  H     18.27208860      7.77879176    -12.06158201
  O     14.60130990     11.90871676     -7.59024427
  H     16.23676886      7.18637093    -11.78067219
  H     15.67289399     11.26560868     -4.26169523
  O     13.55681626      8.97697317    -11.36199823
  H     18.97829178      7.50948794     -8.87050328
  H     15.94767568     10.08649475     -5.22543301
  O     13.17370515      9.92306586     -8.82059678
  H     19.77102466      8.74627099     -8.37327511
  H     14.65144977      8.96559350     -8.41276487
  O     11.96442849      8.36182359     -6.93166464
  H     20.92759160      9.78580351     -6.33108647
  H     16.14903505      8.99494104     -8.81107477
  O     19.08460796      4.90581675    -10.90085818
  H     19.47721409     10.20188623     -6.67599880
  H     17.52527190     11.38099315     -6.07764541
  O     15.41935007      5.82983943     -8.73879365
  H     18.60717161      5.41845832     -9.14220557
  H     17.94004319     11.86130809     -7.47796612
  O     19.15828640      7.46843524    -11.84446643
  H     17.28935581      5.79136540     -8.42771793
  H     14.54079216      7.57977242     -5.06521706
  O     15.91047108     11.05536896     -5.16123346
  H     13.11850105      7.24103710    -10.70834791
  H     13.57948854      7.07897968     -3.96289833
  O     15.50096938      8.52794134     -8.26999116
  H     13.79316433      6.13515169     -9.87622962
  H     18.51238634      6.64296571     -6.61631164
  O     18.28133169     11.45385683     -6.67289636
  H     15.36725702     12.17554748     -8.11365368
  H     19.13341785      7.94590250     -6.06618797
  O     13.66440054      7.19213242     -4.90631374
  H     14.95039542     11.67219762     -6.72289108
  H     15.84379360      8.43396142     -6.54489001
  O     18.52224843      7.23055714     -5.85014207
  H     12.97167757      9.41348208    -11.97686613
  H     16.91591697      7.92414301     -5.54693471
  O     16.04859482      8.35057528     -5.60058546
  H     13.39314680      9.37943208    -10.49129171
  H     17.20343679      5.09534197    -11.31163482
  O     16.30613182      5.44402369    -11.36635301
  H     13.56529365     10.70456887     -8.40189184
  H     15.97086792      5.43039472    -10.45977991
          69
 Energy    -248.75426922517997     
  O     -7.14205659     -1.11595095      6.76505006
  H     -6.87366310     -1.86043200      6.21540269
  H     -5.39063725     -2.93917217     -0.19571099
  O     -8.53572167     -2.06620531      3.44692740
  H     -6.40759013     -0.48907529      6.77318907
  H     -4.43114681      1.32684728      1.29539070
  O     -6.64515985     -3.31338769      4.93408296
  H     -9.42006044     -1.80447688      3.73982853
  H     -3.26430697      2.33746630      1.45856202
  O     -5.51652796      0.52539342      0.06836511
  H     -7.98609742     -1.26800083      3.48918914
  H     -6.13988792      0.27154717      3.71750944
  O     -6.28538628      3.14875838      5.49382207
  H     -7.39320129     -2.99592861      4.39808018
  H     -7.51879789      0.88906959      4.12426625
  O     -6.16973058      4.82007267     -1.12346197
  H     -6.84702852     -4.21164426      5.18457496
  H     -4.68143089      0.56209364      5.75566103
  O    -10.43107037      1.51812339      2.75199601
  H     -5.42399254     -0.43348928      0.13501534
  H     -4.28529250      0.85449055      7.22238398
  O     -9.62802339     -0.05988141      6.76543393
  H     -6.43421329      0.72831614      0.28422636
  H     -3.06553080      4.32499545      0.57242237
  O     -4.32631619      0.15503135      4.10871404
  H     -7.21415772      2.88867545      5.42225893
  H     -1.60209933      3.94229441      0.23814157
  O     -4.51578345      2.68455184     -1.49407383
  H     -5.85103077      2.43667501      5.97607479
  H     -4.94265079     -2.40255715      2.25621400
  O    -10.84940419     -0.89562682      4.32146487
  H     -5.60962394      4.05331479     -1.33946309
  H     -5.25523448     -2.79152387      3.72920806
  O     -5.59125356     -2.27067890      0.45468096
  H     -6.37795048      5.24994338     -1.94833941
  H     -8.40345741     -0.87437983      0.62382345
  O     -3.88178163      1.78175057      1.94958634
  H     -9.74458966      1.32296014      2.09744681
  H     -8.46518775     -2.06630989      1.59285412
  O     -7.07910014      0.29433659      3.50279490
  H    -11.00447347      2.16827054      2.35094273
  H     -9.10997931      1.34496592      5.69765289
  O     -5.03399542      0.79040820      6.63448532
  H     -8.75215054     -0.48600594      6.79820838
  H     -9.39247821      1.95613454      4.29808855
  O     -2.48095960      3.58477826      0.32568469
  H     -9.96561129     -0.05419870      7.65692637
  H     -4.78033341      5.05614190      1.76914798
  O     -4.60390499     -2.36472640      3.15876264
  H     -4.29726860     -0.75910587      3.78576285
  H     -4.98527509      5.41417582      0.28319356
  O     -8.25569429     -1.82611197      0.67896318
  H     -4.02022620      0.73742674      3.40067744
  H     -5.80913639      3.67785462      3.84298212
  O     -8.76490100      1.95393968      5.03065944
  H     -3.72204196      2.92336751     -0.99877082
  H     -5.01912369      3.09554907      2.63775546
  O     -4.33817176      5.44106805      0.99900501
  H     -4.84985023      1.87342161     -1.09015259
  H     -7.72417802      0.74762827      1.92958179
  O     -5.60172400      3.81693633      2.90865176
  H    -10.86163336     -0.09107757      3.78910700
  H     -8.03377949      1.96459510      0.99043968
  O     -8.17045643      1.00818186      1.10639307
  H    -10.55321617     -0.63270317      5.20313615
  H     -6.99623631      3.73953996      1.71758424
  O     -7.62223466      3.61410927      0.98955311
  H     -6.56153253     -2.19529320      0.49178788
  H     -7.24398760      4.07191644      0.22956427
          69
 Energy    -248.75414168704896     
  O      1.05089632     -1.05402287      5.38897274
  H      1.57599193     -1.05589313      6.18602850
  H     -2.75690355     -1.56380655      5.01636044
  O      2.11671137     -0.37551331     -2.45213019
  H      0.52954078     -0.23196029      5.40656824
  H     -0.64714573      1.09312163      2.60255670
  O     -1.40053189     -2.57239702      5.55721628
  H      1.98647173     -1.33098018     -2.39249802
  H      0.74903001      1.62688317      2.19885044
  O     -0.04607383      0.42144648     -0.77106744
  H      1.33176703      0.01378753     -2.04540197
  H     -1.26133910      1.65495106     -0.95624517
  O      1.69237064     -3.10910819     -1.73816838
  H     -0.52731613     -2.17159899      5.47650337
  H     -2.06309993      2.58702749     -1.89521115
  O      3.28541102     -2.45770582      0.38417248
  H     -1.42074402     -3.33256674      4.96222168
  H     -2.37499784     -0.04582857      1.72338283
  O     -4.11832094      2.66581943      2.75922212
  H     -0.37494233     -0.48902826     -0.74882450
  H     -2.31098142     -0.55297194      3.18745114
  O     -3.94377083     -3.17871529      2.68632457
  H      0.59718764      0.51757595     -0.05588760
  H     -0.67450294     -2.49262926      0.21711779
  O     -0.41943457      1.24258944      5.34526396
  H      2.24807550     -2.95667709     -0.95285307
  H     -0.05149152     -2.62784297     -1.18626350
  O      4.04486605      0.13892792     -0.59797861
  H      1.98439595     -3.93011673     -2.12524332
  H      1.13429495     -2.08245779      2.44622345
  O     -1.90304116      3.59827098      1.54749491
  H      2.94242883     -2.29592316      1.27196380
  H      1.77313558     -1.42728795      3.68381287
  O     -3.41846315     -1.05790365      4.51586261
  H      3.70181833     -1.63155167      0.10834103
  H     -3.59361980      2.02171281      4.39912851
  O     -0.05891491      1.86269954      2.67179397
  H     -4.84382336      3.27139011      2.62721088
  H     -3.75118991      2.18424692      5.92590431
  O     -1.99626267      2.29246732     -0.99083600
  H     -3.33107354      3.07749480      2.35669119
  H      2.73842732      0.63826327      0.65485126
  O     -1.76669294     -0.30243026      2.42772680
  H     -3.87871349     -2.83347899      1.78404247
  H      1.96424807     -0.11260455      1.76998010
  O     -0.80111229     -2.24702497     -0.71286327
  H     -3.97932165     -2.41974447      3.28186388
  H     -1.94133730     -5.48889067      3.55274933
  O      1.93539448     -1.63067897      2.75508453
  H     -0.18595856      1.61376239      4.48190631
  H     -2.63187572     -4.14152169      3.22022912
  O     -3.31188241      1.66487475      5.25606321
  H     -1.37009800      1.36967180      5.42771122
  H     -0.94780207     -1.87059068      2.15555520
  O      1.94697135      0.67397894      1.20423235
  H      4.83300612      0.54041779     -0.95266174
  H     -0.85658419     -3.40138130      2.45935814
  O     -1.79606251     -4.54812549      3.51992726
  H      3.43278187      0.00693084     -1.34406206
  H     -3.76217395     -1.13366996      0.17859737
  O     -0.44872514     -2.68043824      1.96455167
  H     -1.89334936      3.31396059      0.62553181
  H     -2.73261931     -2.17599685     -0.30924531
  O     -3.58437061     -2.08157116      0.13267467
  H     -1.17592080      3.12215766      1.97540708
  H     -3.19160332      1.27269350      0.01494250
  O     -3.67735645      0.71742745      0.63967174
  H     -3.49615620     -0.18848142      4.92301415
  H     -3.98196575      1.29791156      1.34678186
          69
 Energy    -248.75391409063707     
  O      1.95312062     -0.94020311      6.68008163
  H      2.81685277     -1.09723365      6.27541066
  H      4.11366457      2.15963141      3.75976886
  O     -1.15034782      1.79337314      6.62675915
  H      1.72505276     -0.02427539      6.47399444
  H      2.07584722      1.78679072      2.87377678
  O      0.99700487     -4.85974279      2.51115731
  H     -1.31430835      0.90787126      6.99787315
  H      1.24586416      0.48828885      2.70199547
  O     -3.42916537     -2.11394558      5.85791791
  H     -1.66051982      2.40798373      7.14739427
  H      5.82985992      0.19686233      0.67931141
  O      2.12529442     -4.90853930      7.38102152
  H      0.35511781     -4.25749840      2.12120676
  H      5.01884918     -0.43519074      1.82135795
  O      4.35140624     -1.10719606      5.26548813
  H      0.68158352     -5.05762257      3.40565513
  H     -0.63306737      1.40248154      3.44663165
  O      3.95209792     -3.88704095      5.67073597
  H     -2.97261541     -1.91168192      5.02417482
  H     -1.47506764      1.47315223      4.73640777
  O      0.37530274     -2.73816065      8.06565406
  H     -4.36449412     -2.04028604      5.68789420
  H      4.68969134      2.29696454      6.29113087
  O     -1.62142061     -0.70365043      7.55697795
  H      2.83082732     -4.52974532      6.82595611
  H      3.31214051      1.79073713      5.80827375
  O     -1.73661642     -4.21550162      6.77142908
  H      2.53092479     -5.58485063      7.91697856
  H      0.55500097     -3.21798164      4.86427306
  O      4.03880202     -1.78899847      2.54420055
  H      4.49868334     -0.16085439      5.38412215
  H      1.00649244     -1.82951846      5.41631684
  O      3.80191056      2.23764611      2.85144921
  H      4.27736526     -1.26266875      4.31361351
  H      4.10309147     -5.30227013      2.50588145
  O      1.21372419      1.38463471      3.06078669
  H      4.23551666     -2.96527960      5.63962047
  H      2.71718093     -4.65206826      2.71417852
  O      5.41834221      0.39444890      1.51694249
  H      3.86976181     -4.17223577      4.75234607
  H     -1.04116611     -1.78131227      4.12153824
  O     -1.50504197      1.19949070      3.81206811
  H      0.94898341     -2.04080964      7.71365504
  H     -1.83314010     -0.53379627      3.64777466
  O      4.27004862      1.71268573      5.66418280
  H      0.91591591     -3.53594339      8.00606705
  H     -1.34849652     -2.40410122      2.17193585
  O      0.57947661     -2.27251978      4.67389854
  H     -1.00442938     -1.37423945      7.87062795
  H     -1.50577348     -2.95326272      0.73833243
  O      3.66807100     -4.54845856      2.89603473
  H     -2.29931477     -1.17111808      7.05291903
  H      0.98136031     -5.15225151      5.89820084
  O     -1.86316599     -1.50245364      3.68807313
  H     -2.41824358     -3.59717765      6.48444319
  H     -0.51709313     -4.87399069      5.65736570
  O     -0.87890204     -2.85395535      1.45059450
  H     -1.10672090     -3.69725175      7.29033518
  H      1.39065087      1.55533241      4.84287501
  O      0.32496477     -5.02930731      5.20162647
  H      4.04561734     -2.75268809      2.59410421
  H      0.62910386      1.83594287      6.16589896
  O      1.50426405      1.65575588      5.80086948
  H      3.12556600     -1.54244103      2.33497663
  H      0.69807628     -1.71107779      1.68519118
  O      1.35422109     -1.28866611      2.24843030
  H      4.39547846      1.68686742      2.32166267
  H      1.18191469     -1.64496514      3.13585909
          69
 Energy    -248.75361330620183     
  O     16.96964568      9.46330204    -15.67820214
  H     17.49549175     10.02733252    -15.09967461
  H     16.26975963      9.57079824     -9.91909605
  O     18.68092955      8.53102785    -12.29914323
  H     17.23769281      8.55960012    -15.46608320
  H     14.66764780      9.19100224    -13.24769622
  O     15.15316573     10.40029974     -8.81733600
  H     18.01106293      8.70329826    -11.61711052
  H     14.95274187      7.69683294    -12.97681138
  O     11.98851768      9.22250022    -14.42091167
  H     19.28788503      7.87670665    -11.93347034
  H     12.28586647      6.50174507    -11.43537381
  O     17.30063960      3.30030952    -11.65263035
  H     14.59977722      9.68816046     -8.47907215
  H     13.12871542      5.22634778    -11.65182539
  O     12.39848748      6.35794811    -14.51195519
  H     14.62530329     10.87095373     -9.48141833
  H     19.48597574      6.00636995    -10.56909651
  O     15.83192301      6.62215626     -9.41680897
  H     12.10611201      8.26849514    -14.49372658
  H     20.98614856      6.33668129    -10.75041988
  O     13.83579011     11.59942239    -10.95751280
  H     12.82620924      9.62378350    -14.69358803
  H     15.08731291      5.61356261    -13.05125065
  O     18.94210725      4.78874871    -13.22265095
  H     17.48767550      2.37250745    -11.76663003
  H     14.24846642      6.16118965    -14.24814081
  O     15.79601649     12.18076013    -13.04192116
  H     17.86827873      3.78099190    -12.28186099
  H     18.48793516     10.10654418    -13.08851245
  O     14.53901573     10.29601909    -14.71943849
  H     11.84022962      5.81153810    -15.05941269
  H     19.12934049     11.37608516    -13.68323415
  O     16.65137615      8.99453657    -10.59684591
  H     12.26180391      6.06848620    -13.59162079
  H     17.96120616      7.51000037    -13.72267829
  O     14.80277818      8.54634237    -12.54274190
  H     16.21351663      7.41425958     -9.82262072
  H     16.79369929      6.66271741    -14.32571930
  O     12.29455972      5.65010366    -11.89288972
  H     15.10688871      6.94030511     -8.86644408
  H     17.93595331      4.43020832    -10.22248883
  O     20.13453049      6.41277106    -11.17220567
  H     13.03452280     11.26796539    -11.37859709
  H     17.43909547      5.64695863     -9.41920632
  O     15.13401133      6.13873943    -13.86383205
  H     14.47018608     11.77571073    -11.66109973
  H     10.58391012     10.87589018    -12.10896204
  O     18.29014932     10.94411562    -13.54066548
  H     18.56397360      5.44377248    -13.82338122
  H     11.56570160     10.00630307    -12.92900502
  O     17.69152086      6.98812335    -14.49161685
  H     19.49172126      5.28868982    -12.60684450
  H     15.69490712      4.20640481    -11.48791999
  O     18.23723025      5.16936750     -9.67990506
  H     16.66541742     11.76163844    -13.13280018
  H     15.24164443      5.46532793    -10.70568019
  O     11.41800223     10.41741533    -12.05809134
  H     15.94373772     13.12319273    -13.09231045
  H     13.19591893      8.06115440     -9.14766288
  O     14.98408091      4.85593256    -11.41219395
  H     14.83789514     11.08182803    -14.24627363
  H     12.92461249      7.78673535     -7.65010107
  O     13.62045998      7.96305350     -8.27797833
  H     15.31107111      9.95790421    -15.19886194
  H     13.42245134      8.32915701    -11.38157367
  O     12.63578082      8.23633097    -10.82304474
  H     15.98931731      8.91021643    -11.30087777
  H     12.04886172      8.95117799    -11.09792950
          69
 Energy    -248.75349622713952     
  O     11.82893619     10.50905366    -13.40564167
  H     11.57413368      9.62399070    -13.11977914
  H     16.86873967      7.13658062    -16.56150908
  O     17.47554667      8.11919612    -13.75531339
  H     12.63057710     10.71814982    -12.90504654
  H     18.09916382     12.75242403    -14.41191273
  O     16.63634871     11.95005226    -11.41365186
  H     16.67813471      8.62313145    -13.98341236
  H     19.54899106     12.81915949    -14.95673949
  O     14.68026789     12.83029205    -15.88704748
  H     17.60193437      7.49816574    -14.48352208
  H     15.92753845     10.16742657    -15.13915430
  O     12.64050717      6.91125744    -14.85877998
  H     16.68793773     11.81156381    -10.45974136
  H     14.71140715      9.22022632    -15.13026906
  O     15.46945246      8.78805436     -8.70976875
  H     17.30719168     11.37557895    -11.81121384
  H     12.35313168      7.90493307    -11.83033510
  O     16.14643647      6.69920901    -11.77593039
  H     14.44694547     13.64137019    -16.33466847
  H     10.88866796      7.41515839    -11.84281775
  O     14.34133477     10.65993419    -12.24784254
  H     13.87672491     12.28806771    -15.87245379
  H     18.93225392      9.74929564    -10.85911643
  O     16.20486482      8.46270058    -17.49544100
  H     13.42429160      6.39174134    -14.62285654
  H     18.31053252     10.08090667     -9.48654534
  O     17.64244807      7.05759476     -9.41703430
  H     12.21610288      7.16221478    -14.03188662
  H     15.37185099      5.84212395    -13.32283657
  O     16.84830466     11.07266230    -16.43256141
  H     14.80385966      8.60012359     -9.38310572
  H     15.74094202      5.84130142    -14.82038029
  O     17.21760208      6.44948889    -15.96607937
  H     16.15090180      8.11326016     -8.82217901
  H     15.85036006     13.23598584    -14.31422393
  O     18.83539479     12.21732232    -14.76208061
  H     16.67848504      7.18996743    -12.41898807
  H     16.50633402     13.06772623    -12.91175679
  O     15.35697405      9.65056664    -14.55482215
  H     16.66318877      6.67648814    -10.96138035
  H     18.30760517      9.52659791    -13.01515211
  O     11.54839830      7.85484680    -12.37317406
  H     14.68113183     10.30807130    -13.08644880
  H     18.84955043     10.94218776    -13.34481408
  O     18.85517471      9.43263401     -9.94993372
  H     15.05813554     11.17751635    -11.86340121
  H     16.29277406     10.32837937     -8.69962598
  O     15.02338087      5.65706544    -14.20329753
  H     15.25247101      8.50933397    -17.32587714
  H     16.82285062     11.53967620     -7.89594363
  O     16.63087014     13.44971943    -13.79170409
  H     16.54361610      9.34567571    -17.30588549
  H     13.15924030      8.08755069    -16.01546699
  O     18.61663692     10.35398951    -12.61719040
  H     18.21163859      6.49921617     -8.89451541
  H     13.07454398      9.58975249    -16.45206280
  O     16.85299358     11.12364634     -8.75306968
  H     18.15117006      7.86157208     -9.62624210
  H     14.08284267      9.09242978    -11.40509390
  O     13.59577079      8.78465353    -16.53404593
  H     16.16131403     11.75201708    -16.39498734
  H     14.64689623      7.64013576    -11.32761427
  O     13.92425114      8.21215895    -11.03169735
  H     17.62221918     11.42414366    -15.97439243
  H     11.50462608     11.52395798    -16.35063152
  O     12.32798259     11.29818947    -15.92525254
  H     17.67671423      5.81984749    -16.51509772
  H     12.10472481     11.02101522    -15.01742054
          69
 Energy    -248.75334529067652     
  O     10.00635541     11.44928654    -10.00204223
  H     10.46614571     11.60109786    -10.84638212
  H     11.87361554     12.46565347    -12.68647572
  O     13.90703859      9.20639495    -14.99446153
  H      9.16780241     11.89940894    -10.05670863
  H     15.59947563     12.13441439    -14.15602991
  O     10.73918889      8.68831247    -10.30059678
  H     14.65107373      9.59268493    -14.51032724
  H     15.88756508     13.64343546    -13.99683190
  O     13.37060954      6.81267800    -13.55667658
  H     13.78693267      8.32064257    -14.62965991
  H     16.46080413      9.08532412     -9.24048008
  O     14.62825355     12.35873481     -9.46024547
  H     11.44599477      8.57225949     -9.65680528
  H     15.97444815      8.22407721    -10.42543489
  O     13.93484105     11.64104375    -16.54752780
  H     10.36852894      9.56202228    -10.12917529
  H     14.04417773      7.42831954    -11.90706508
  O     10.97240439      7.82814033    -12.93684693
  H     13.30801127      5.90386123    -13.83715477
  H     14.09833086      8.84786475    -11.28999930
  O     13.17645009      8.65845702     -8.67001262
  H     12.46615976      7.10118450    -13.32854603
  H     15.00929445     14.60381469    -11.69869182
  O     13.89496279     10.61437483    -11.54124994
  H     13.78738894     12.12861769     -9.02762198
  H     13.54823615     14.26199634    -12.00932040
  O     12.34365705     11.38037625     -8.43164765
  H     14.45687962     13.12955907    -10.02433418
  H     17.65670121      9.53719453    -11.16060905
  O     17.23251211     12.65287683    -10.79902935
  H     13.98633365     10.73792015    -16.21029772
  H     18.95621114      9.82087421    -11.95532303
  O     11.43717452     11.69313766    -12.30220618
  H     14.53602933     12.16876877    -16.00473293
  H     12.21441802     13.49594912    -14.47514041
  O     15.36787436     13.00859342    -14.50441625
  H     10.83598605      8.60098231    -13.49632964
  H     13.66521006     13.44004500    -13.96325468
  O     16.76380072      8.61792701    -10.02791478
  H     10.84108470      8.10542000    -12.01793120
  H     15.15017978     10.57173251    -12.76903544
  O     14.29371950      7.91397211    -11.11365479
  H     13.96243424      9.01223217     -8.23783872
  H     16.66266076     10.32069881    -13.01678835
  O     14.17378069     14.35755545    -11.28200663
  H     13.50890344      8.23737993     -9.47673541
  H     12.33492631     12.29229291    -16.31935518
  O     18.06784332     10.13483402    -11.81184459
  H     13.00404929     10.89791148    -11.77935531
  H     11.02248990     12.96551677    -16.79053438
  O     12.76124674     13.66673561    -13.69839209
  H     14.17819970     11.17907421    -10.81262973
  H     15.84614237     10.42509305     -7.07086193
  O     15.82654762     10.49946525    -13.46152921
  H     11.48800018     11.51134041     -8.85822832
  H     15.31215737     10.97481959     -8.40631096
  O     11.46157796     12.60915129    -16.02306919
  H     12.51439427     10.43020074     -8.47261432
  H     17.35128707     15.30957589    -12.55701234
  O     15.57409164     10.16225894     -7.94780895
  H     16.46086972     12.48498061    -10.24814909
  H     16.98451575     13.92483071    -11.96914100
  O     16.70454081     14.61065080    -12.60204017
  H     17.55868810     11.79531455    -11.10030710
  H     12.18211288      9.83481140    -14.73139273
  O     11.28291500     10.15841088    -14.57184127
  H     11.27383761     11.08456672    -13.03655659
  H     11.16902783     10.93231429    -15.13682536
          69
 Energy    -248.75326608096753     
  O     15.86200639      8.70852050    -15.84922517
  H     16.32099691      8.62667719    -15.00219363
  H     12.40167902      9.44181835    -15.16654404
  O     14.58424924     12.24506106    -15.72433248
  H     14.96380857      8.99691799    -15.65001931
  H     17.68940703      9.21869060    -18.36653655
  O     20.19227077     10.71447635    -10.27753028
  H     15.30670518     12.04632231    -15.11057730
  H     16.78578869      9.41522579    -17.12512016
  O     20.50563443     12.82937726    -11.98442671
  H     13.97701449     11.50007822    -15.65123991
  H     18.82563828     17.71127776    -12.45629694
  O     14.11224968     10.45113453    -12.60792182
  H     20.38878167     11.51435015    -10.79518411
  H     18.57823025     16.38396593    -13.19194399
  O     17.38032061     11.10659559    -10.21562385
  H     20.90206154     10.61233786     -9.64872943
  H     20.07544633     11.38697066    -14.92218492
  O     17.17592877      8.89437685    -13.36377403
  H     20.63301864     12.34819748    -12.81632718
  H     21.31915461     12.27024413    -14.70475748
  O     15.94011812     12.33479345    -18.17946343
  H     20.90224156     13.70200999    -12.09397140
  H     16.35680187      9.75537726    -10.57799684
  O     18.99033675     14.23351692    -16.20087844
  H     14.53694432      9.89238942    -11.94498010
  H     15.68746473      8.43550025    -10.12179297
  O     21.50315381     15.37710767    -12.59357247
  H     14.80519873     11.04969819    -12.90902617
  H     16.59223488     13.94137209    -18.14892585
  O     18.52424963     11.51592877    -15.84233068
  H     17.34448879     11.92181329    -10.73083969
  H     16.80185366     15.32066407    -18.81832871
  O     13.29006305      9.78403398    -15.11633482
  H     18.31990517     10.90894478    -10.11238670
  H     18.13568648     14.87753250    -14.71854676
  O     17.34298418      9.88114810    -17.77533782
  H     16.73367019      8.75502692    -12.51761595
  H     16.66205663     15.22499708    -14.43464567
  O     19.25583668     16.90663026    -12.73314343
  H     18.12765544      8.96608812    -13.19195146
  H     21.64769916     14.56459288    -14.36844095
  O     20.87004476     11.47667501    -14.37647295
  H     15.38242888     12.29366474    -17.38978682
  H     20.78647997     14.22334339    -15.60208396
  O     15.82222454      8.99789569    -10.87920791
  H     16.41719871     11.49773061    -18.20043542
  H     19.96944375      9.66593991    -11.89898773
  O     16.91741623     14.84800201    -17.99867358
  H     18.38728043     14.54913693    -16.88596129
  H     20.31547868      9.94355465    -13.37297970
  O     17.53894514     15.19657925    -14.02650546
  H     18.85393126     13.27633591    -16.14462912
  H     16.74833423     10.60779536    -13.66746642
  O     21.61877533     14.01122350    -15.15691574
  H     22.23871902     15.90106542    -12.28675945
  H     16.95596176     12.10178587    -13.20905439
  O     19.81840867      9.34905518    -12.79686635
  H     20.73079894     15.96763999    -12.62308792
  H     14.87672404     14.14419381    -15.60903855
  O     16.52464453     11.53105069    -13.85998096
  H     17.81706258     11.53765196    -15.18533999
  H     15.76638121     15.08324568    -16.43921710
  O     15.30124115     15.01115315    -15.59609718
  H     18.22113019     10.94813324    -16.56134936
  H     18.69436353     13.11319252    -12.02044168
  O     17.73617992     13.22575982    -12.08529250
  H     13.47443144      9.95262691    -14.17529805
  H     17.58998889     13.98866245    -12.66174081
          69
 Ord_Energy   -248.753174    
 O  -0.929891467       1.36118352      -4.06971502    
 H  -0.509263694       1.48926163      -4.92892027    
 H   -1.65459037      0.732243896      -4.20747709    
 O   -1.70882165     -0.552068233      -7.09019899    
 H   -2.04308724     -0.656246483      -6.18944216    
 H   -1.15420651      0.237211064      -7.07656765    
 O   -4.09079695       2.29927087      -8.22929478    
 H   -4.77185392       2.41926265      -7.55428743    
 H   -4.08628798       1.35970438      -8.44182587    
 O  -0.196896791       1.87394571      -6.76632738    
 H  -0.810465515       2.60330009      -6.96078014    
 H   0.630780935       2.09503460      -7.18585682    
 O   -6.34165955       5.33443832      -6.65499830    
 H   -6.37007952       5.77075005      -5.78443861    
 H   -6.96865368       5.78999376      -7.21114540    
 O   -4.60113287       3.51204729       9.97394025E-02
 H   -4.52574301       2.62504363     -0.276116222    
 H   -3.70164943       3.86073709      0.119349658    
 O   -3.53206897       6.09187794      -6.80909061    
 H   -3.47061992       6.68050385      -6.04804564    
 H   -4.45657778       5.82050943      -6.85868835    
 O   -1.48734033       2.02190542      -1.38255930    
 H   -2.38171744       1.65241086      -1.36981928    
 H   -1.10329592       1.75992548      -2.22733212    
 O   -4.16344357       1.16749644      -1.48262286    
 H   -4.49115229       1.64036083      -2.26149154    
 H   -4.26950979      0.226826578      -1.66138113    
 O   -5.42073298       5.05728436      -2.03219509    
 H   -5.33721304       4.57734108      -1.19567025    
 H   -4.52855635       5.37333155      -2.23345828    
 O   -3.54127073       7.66504002      -4.39328623    
 H   -3.17714763       7.05415058      -3.73036838    
 H   -3.16951585       8.52381134      -4.20884848    
 O   -5.44588900     -0.106975138      -6.06283855    
 H   -5.08096647     -0.352330506      -6.92260933    
 H   -5.74468040      0.811015248      -6.12778139    
 O   -4.95732450       2.80680466      -3.61101556    
 H   -5.27341557       3.55211973      -3.08215046    
 H   -4.08069372       3.06047130      -3.93771434    
 O   -4.34299660      -1.52869320      -2.34798265    
 H   -5.17136192      -1.58101416      -2.85664630    
 H   -4.24653864      -2.35767365      -1.88686705    
 O   -4.04579258     -0.555100679      -8.45505810    
 H   -4.04222631      -1.14557278      -9.20296288    
 H   -3.16087341     -0.603355467      -8.05004692    
 O   -2.09007621       3.80698919      -7.19936419    
 H   -2.46139550       4.70063829      -7.16614628    
 H   -2.75521398       3.25186920      -7.63785315    
 O   -6.18811464       6.58267021      -4.25882101    
 H   -6.13577557       6.08056641      -3.43481898    
 H   -5.37001944       7.09360838      -4.30384874    
 O   -3.03024435     -0.387069702      -4.58393621    
 H   -3.32319808     -0.859650671      -3.79598522    
 H   -3.83294654     -0.171814784      -5.07735586    
 O   -2.46740699       3.64138508      -4.43408298    
 H   -2.40006042       3.76387691      -5.38932467    
 H   -1.89638782       2.89728570      -4.20348358    
 O   -6.53822756      -1.50879323      -3.95259857    
 H   -7.47169638      -1.32273328      -3.88748550    
 H   -6.22792578      -1.05482614      -4.75299215    
 O   -5.99374676       2.60573292      -6.14586115    
 H   -6.22108364       3.51181197      -6.39061403    
 H   -5.69205332       2.65118766      -5.22582531    
 O   -1.86714745       4.46331406     -0.302777201    
 H   -1.24715841       4.62295294      0.403570741    
 H   -1.64664197       3.59069014     -0.677871108    
 O   -2.72676873       5.71775103      -2.65153193    
 H   -2.56917048       5.01039791      -3.29628086    
 H   -2.36871576       5.41126490      -1.80890536    
          69
 Energy    -248.75309760020298     
  O     10.17770756      8.94983139     -9.99530587
  H     10.50804658      9.25992885     -9.14311665
  H     10.59324331     11.05553065    -12.58568399
  O     15.45724472      9.64614258    -16.49728322
  H     10.10374266      9.73615577    -10.55242970
  H     12.73878732     13.59852110    -13.75491271
  O     11.43322191      7.12836384    -11.56216330
  H     14.87169893     10.41621666    -16.61241399
  H     13.73076717     12.42504336    -13.78768206
  O     15.42721474      9.26847797    -13.70791523
  H     16.12262842      9.70240329    -17.17772302
  H     16.23049835      9.27851564    -10.48535923
  O     11.69860652     12.68416499     -8.19558485
  H     10.95204368      6.30566677    -11.57813871
  H     16.05347667      8.80060865    -11.96040462
  O     13.65181108     11.66395809    -16.76934383
  H     10.93377938      7.73748558    -10.98795135
  H     11.83325372     14.44185446    -11.68131793
  O     12.73038304      8.54196932    -13.62368609
  H     14.51122230      8.96333097    -13.61730295
  H     13.35544326     14.63123555    -11.86581323
  O     13.90026548      9.22320477     -7.63005330
  H     15.59131007      9.35028481    -14.65528019
  H     14.50091735      7.98352994    -10.47265179
  O     13.10156467     10.71046077    -10.71112570
  H     12.65028987     12.78010718     -8.33919378
  H     12.99481499      7.52214369    -10.58769576
  O     11.16155064     10.10481437     -7.54914023
  H     11.26651256     13.12551285     -8.93620185
  H     11.78830530     11.55574983    -14.30432860
  O     15.15007062     14.08300247    -11.26211186
  H     12.81024551     11.24301265    -16.98285682
  H     11.02536728     10.56684074    -15.22094813
  O     10.56432286     11.20133859    -11.63138059
  H     13.47725386     12.22664858    -16.00301955
  H     15.06030021     11.95033452     -8.86154530
  O     13.03217273     12.85526384    -14.30015697
  H     12.19074495      9.32663306    -13.79296319
  H     14.67280645     13.21087029     -9.68990283
  O     16.11305153      8.50228656    -11.04364982
  H     12.26962232      8.01537555    -12.95990601
  H     15.22997835     10.92526220    -13.03718948
  O     12.50853765     14.69447526    -12.32253647
  H     13.01119334      9.55384112     -7.46170121
  H     14.23623337     11.34082382    -11.93442283
  O     13.63129397      7.99679568    -10.04453992
  H     13.79920127      8.61777209     -8.38133264
  H     11.83837269      9.29756169    -16.87747122
  O     11.18436224     10.79730960    -14.29792402
  H     13.40840925     11.29626682    -10.00724259
  H     10.68009022      9.85046989    -17.74373167
  O     14.35696319     12.59583401     -9.01581677
  H     13.25294615      9.79766453    -10.43483194
  H     16.86269120     10.28788034     -8.15944813
  O     14.87459501     11.69366435    -12.57344008
  H     10.64773975     10.08637023     -6.74528825
  H     15.35228577      9.98355876     -8.24541022
  O     11.26017659     10.06862350    -17.01973285
  H     11.30873690     11.04372055     -7.76070578
  H     10.39844642     12.83298090    -10.96821931
  O     16.09071872     10.42710159     -8.70276043
  H     15.18000210     13.26464077    -11.78749103
  H      9.59042616     14.09453407    -10.58324601
  O     10.46523124     13.71365357    -10.56051340
  H     15.90796875     14.60315189    -11.51734944
  H     12.91175632      8.06170690    -15.43016764
  O     13.03021197      8.10055908    -16.38945373
  H     11.46062081     11.02645706    -11.29890285
  H     13.91232408      8.46827059    -16.52404545
          69
 Energy    -248.75308039662136     
  O     20.49750202     12.03486034    -18.93206952
  H     21.02811254     12.74081252    -18.52185624
  H     18.86124213     12.89087844    -19.37965241
  O     17.73661953     17.85474135    -15.12434018
  H     21.06238649     11.60357629    -19.56791458
  H     20.21400822     16.50382575    -18.54698001
  O     22.76564716     13.86578209    -15.07835739
  H     17.24946797     17.62878774    -15.92487706
  H     21.51706742     17.14833683    -19.08041045
  O     16.21169670     14.11649135    -13.39002434
  H     18.67288931     17.80676098    -15.35386178
  H     15.73480570     11.06070361    -13.06105674
  O     16.59703750     12.14848548    -17.33446446
  H     22.36731809     14.63987391    -14.63642020
  H     15.26682240     12.48345070    -13.42038325
  O     17.35962944     10.15059046    -12.57688591
  H     23.60650534     13.71123777    -14.65815371
  H     20.85826641     15.73449429    -13.25942320
  O     14.91444914     10.38505631    -15.96112327
  H     17.02156074     13.62893656    -13.17584778
  H     21.14977257     16.57855489    -14.52199688
  O     21.95236052     14.03373804    -17.79500107
  H     16.36191662     15.02614756    -13.10307460
  H     19.15025945     12.66471175    -13.45203109
  O     20.52651617     17.87455994    -15.80006443
  H     17.46147491     11.79589382    -17.07817184
  H     18.19587129     11.81890746    -12.56360135
  O     17.01668186     16.72443993    -12.76446364
  H     15.93842855     11.53210499    -16.99067590
  H     18.10356865      9.78190392    -15.73104395
  O     20.20650905     12.73455866    -14.88451346
  H     17.46008242      9.41181713    -11.98296570
  H     16.59643771      9.53133063    -15.51339617
  O     18.03277903     13.38095862    -19.45931568
  H     17.46368529      9.80169672    -13.48047591
  H     15.47454880     17.22835649    -17.75951361
  O     21.12185583     16.76296974    -18.30245951
  H     14.87815367     10.82832802    -15.09406704
  H     16.10466534     16.06093998    -16.96180373
  O     15.03527081     11.55031441    -13.51218937
  H     14.06766864      9.96815502    -16.09328038
  H     19.20233152     14.41301831    -12.18512072
  O     21.54101084     15.94202613    -13.91470425
  H     22.28111522     13.96664395    -16.88924847
  H     18.68164347     15.85404802    -12.30114579
  O     18.51513137     12.71507155    -12.72178780
  H     21.74237466     14.96270979    -17.93795691
  H     19.50578397     11.55022368    -16.01013928
  O     17.47048567      9.32528370    -15.16026449
  H     20.98117811     18.71187789    -15.72928360
  H     19.58086303     11.21216668    -17.51217426
  O     16.30260187     16.89668669    -17.42254387
  H     20.77166997     17.49857937    -16.65878865
  H     17.91967263     14.70765155    -15.94268449
  O     19.48201950     15.33657652    -12.15582503
  H     17.26657746     17.14598490    -13.60558214
  H     18.94911145     15.04178087    -17.01550109
  O     19.08977898     11.01813761    -16.70517930
  H     16.68615302     17.41716528    -12.19867519
  H     18.37164901     15.06439496    -19.09154897
  O     18.86831887     14.71652730    -16.11364127
  H     19.76105466     13.48624028    -15.31485127
  H     17.81055943     16.34200716    -18.38419411
  O     18.61200506     15.93304578    -18.73217803
  H     21.14332855     12.95453031    -14.85944664
  H     15.97491252     14.38327447    -15.15037200
  O     16.02018443     14.55586408    -16.10069822
  H     17.41442247     12.95568196    -18.85144961
  H     16.16785112     13.71183393    -16.55087599
          69
 Energy    -248.75294973853218     
  O      9.79601321      7.25105068    -10.70763221
  H      9.76182176      6.58428980    -10.01013060
  H     12.62463538      5.02888052    -10.86322780
  O     12.13316859      8.65236103    -10.53532164
  H      9.21031490      7.98127974    -10.47658465
  H     13.47830624      4.91557497     -6.83113023
  O     12.59337652      6.95550030    -13.95666112
  H     12.18933967      8.87799760     -9.59921147
  H     13.50612047      4.94817232     -5.28416034
  O      9.55662893     10.51994967     -8.02612242
  H     11.30792093      8.14994924    -10.62729080
  H      9.57533611      9.66473946    -13.17884175
  O      6.30068748      5.79434400    -11.25357281
  H     13.18474374      6.70634066    -14.66231618
  H      8.41745636     10.50944361    -13.75623020
  O     14.01771879      4.19950081     -8.32869211
  H     13.05293424      6.75693509    -13.12337719
  H     11.55823380      6.19358588     -6.44527914
  O     13.61683379      6.53346284    -11.43408336
  H      9.17894715     10.31311875     -8.89888546
  H     10.48742943      6.02540175     -7.55122153
  O     10.03718921      6.01773366    -13.18289936
  H      9.23963895     11.38773024     -7.78933063
  H      9.23726788      4.57110526     -9.29463590
  O      7.89048102      3.74645504    -10.28199726
  H      6.72079142      6.29103663    -11.97827149
  H     10.77503888      4.78243855     -9.42586163
  O     15.58286065      6.34320753     -9.44564173
  H      5.37006932      5.75443177    -11.46223501
  H      8.32807209      6.66670421    -13.44328338
  O     11.31425334      9.40922364    -13.11653665
  H     13.36015372      4.05532052     -9.02280675
  H      7.75652183      8.07743938    -13.26809485
  O     12.18058729      4.28634416    -10.43459510
  H     14.66932567      4.79753622     -8.71446962
  H      8.68037806      8.89150616     -7.33932280
  O     13.22326082      5.43971979     -6.05036598
  H     13.14794216      7.31203909    -11.09422616
  H      9.08688220      7.47231047     -6.93437037
  O      8.61152238      9.80009819    -13.14887088
  H     14.39188993      6.42408614    -10.86953146
  H     11.19381237      9.65049314     -7.80336913
  O     10.79083064      6.61840533     -6.84684984
  H     10.87380910      6.29838414    -13.57014469
  H     11.51934426      8.17883017     -7.46806454
  O      9.97950186      5.09269558     -8.96715004
  H      9.95899594      6.47160740    -12.32810062
  H      6.50083621      7.16740262     -9.86242072
  O      7.50457858      7.14688766    -13.27574204
  H      7.31495142      3.04795077     -9.97921461
  H      7.08271646      7.83390188     -8.57141728
  O      8.33257735      7.99930169     -7.22407033
  H      7.31871672      4.44756001    -10.63397011
  H      9.35822276      3.40765150    -11.55434856
  O     11.91166321      9.00541022     -7.78792622
  H     15.18634076      6.89304268     -8.74521242
  H     10.08195734      4.27094907    -12.59978478
  O      6.56175135      7.99402741     -9.37396184
  H     16.52474207      6.48475239     -9.40401652
  H      7.59945221      9.20841309    -10.08010365
  O     10.15653950      3.44963274    -12.09233447
  H     11.66480014      9.38192454    -12.21590374
  H      8.37089434      9.83151445    -11.30657324
  O      8.38730004      9.70935065    -10.35065186
  H     11.74420274      8.67629231    -13.57153467
  H     14.05449217      6.98991008     -6.82677694
  O     14.37689301      7.68413806     -7.41550990
  H     11.58085157      3.88117915    -11.07855181
  H     13.63912204      8.29835632     -7.52014002
          69
 Energy    -248.75251154882801     
  O     -1.83725763      4.29464796      5.14152315
  H     -1.51636962      4.14180656      4.24141908
  H     -0.45885637      2.86606224     -2.42145473
  O      1.07647780      1.18778269      0.23066126
  H     -1.64558287      3.48633565      5.63251922
  H     -4.79796564      5.19349850      5.76736596
  O     -1.43522864     -0.99309192      2.81338615
  H      0.54924363      1.66120177     -0.42357865
  H     -3.53836947      4.55263199      5.13659144
  O     -4.23711701      1.37418167      0.38464350
  H      0.73261854      0.28365737      0.23832778
  H     -1.61806003      4.04433572      0.91955310
  O     -3.28287886     -2.55524155     -1.31001807
  H     -1.96632965     -1.80164893      2.81251988
  H     -2.91192752      4.24261762      0.09762131
  O     -0.36533490     -1.18312061      0.25296994
  H     -0.96863059     -0.99013292      1.96664177
  H     -5.37237844      4.09621064      3.54367580
  O     -6.48782915      1.12773893      3.90772825
  H     -3.75420917      1.38020333      1.22649733
  H     -6.14212059      2.85804606      3.04357509
  O     -1.59569640      1.70230169      6.37945721
  H     -4.47612453      2.28935833      0.19894648
  H     -1.68877651      2.71277218      2.62878321
  O     -2.35547669      0.13252442     -1.19818313
  H     -3.04426612     -1.62554726     -1.41910244
  H     -0.18702052      3.11047217      2.62785175
  O     -6.10180983     -0.35931454      1.48996066
  H     -3.99822349     -2.58600434     -0.66109195
  H     -5.17006214      4.02711462      1.17506759
  O     -2.81143471     -3.30998555      2.29156435
  H     -1.07615327     -0.75325936     -0.24663221
  H     -5.43897417      4.63523656     -0.22022975
  O     -0.73026115      2.40380892     -1.63295517
  H     -0.48105966     -2.13346451      0.13420827
  H      2.29636143      2.53916500      2.78624323
  O     -4.51219957      4.51579816      5.16110158
  H     -7.21979602      0.97937601      4.50245742
  H      1.34371832      1.81623912      1.80507885
  O     -1.95455040      4.16063915      0.02028381
  H     -5.69235166      1.19200536      4.46068430
  H     -0.40050178     -0.11049840      4.05089889
  O     -5.80019317      3.71535827      2.76640795
  H     -1.27659033      1.49526127      7.25356078
  H      0.59053505      1.07362689      4.00082056
  O     -1.08302863      3.46840523      2.58905372
  H     -0.98488185      1.27295100      5.75297722
  H     -4.34584546      2.67057165      5.30807048
  O     -4.80740378      4.12146250      0.27611599
  H     -1.80261800      0.86531420     -1.49679283
  H     -3.33030625      1.58568245      5.73696094
  O      1.41385095      2.18837732      2.70313376
  H     -3.06467445      0.53398000     -0.67490986
  H     -5.93970461     -3.39445919      0.72058064
  O      0.05323096      0.54312906      4.60102959
  H     -6.28154658      0.06864273      2.33375059
  H     -5.55404246     -1.94036362      1.06845210
  O     -4.16778595      1.71985258      5.27370143
  H     -5.52993196      0.25186687      1.00414215
  H     -0.95277037     -4.62278399     -0.54521364
  O     -5.19555303     -2.80241844      0.79373532
  H     -2.23402190     -3.63109140      1.58766933
  H     -1.96669957     -3.45375847     -0.60028544
  O     -1.23575384     -3.83930378     -0.08248325
  H     -3.66725981     -3.15887634      1.87062240
  H     -3.34533072      1.46279303      3.59453698
  O     -2.87281174      1.34552276      2.76331059
  H     -1.17830149      3.05707606     -1.06567907
  H     -2.39893456      0.50164914      2.80690085
          69
 Energy    -248.75248707538711     
  O     14.57809701      3.54497643     -9.53407379
  H     13.73890892      3.92375096     -9.83805812
  H     13.78665795      7.45689422    -14.27134279
  O     12.29348256      4.67328856    -10.60440655
  H     14.53061887      2.59460716     -9.68253996
  H     16.25307281      5.44382077    -16.56544184
  O     15.91614899      3.23468740    -12.01809544
  H     12.52082825      5.10559696    -11.43805625
  H     15.42837724      5.09926730    -15.30134910
  O     17.38501304      6.57231878    -13.41450127
  H     12.00881706      5.37451204    -10.00430657
  H     15.14530721      9.28780666     -8.58000122
  O     11.97219906      8.23339715    -11.49424802
  H     15.47341903      3.54510526    -11.21805254
  H     15.73018653     10.69453798     -8.30103654
  O     12.04851088      2.06347509    -11.77544064
  H     16.81809411      3.58719478    -11.97521984
  H     15.56071574      6.58285122    -10.64087555
  O     14.60086972      1.05269876    -10.92554704
  H     16.66488010      6.68752851    -12.77470270
  H     15.11157354      7.84873341    -11.43277655
  O     17.96040877      9.22693538    -12.71395330
  H     16.98162678      6.33127448    -14.25554731
  H     13.35630676      7.60812123     -8.36320985
  O     18.02991142      8.66170872    -10.00003991
  H     12.75580903      8.80166791    -11.45727362
  H     14.83025394      7.15923553     -8.27942355
  O     13.19589892      6.05667139    -12.92494794
  H     12.18145513      7.53641900    -12.12650617
  H     11.67393951      1.92483416    -14.96345305
  O     15.51679112     10.24722472    -13.86456362
  H     11.98055470      2.90522823    -11.30851535
  H     12.20678051      2.15338667    -13.53724574
  O     14.35971519      7.97412854    -14.84593242
  H     12.83884862      1.62420437    -11.43732190
  H     11.71798531      7.50119406     -9.93797315
  O     15.93835758      5.80267896    -15.74010758
  H     15.03634227      0.20437961    -10.90589091
  H     10.85899036      7.22056999     -8.68074841
  O     15.68610117     10.00563635     -8.95833342
  H     15.16331934      1.64257180    -11.45465918
  H     18.50542286      4.98514601    -10.95159517
  O     15.34797629      6.91546462    -11.52122846
  H     17.92808598      8.32082673    -13.05116415
  H     18.14635510      5.22029198    -12.42619388
  O     14.23377837      7.89972971     -8.09417882
  H     17.22075803      9.67862896    -13.13471355
  H     13.80345014      3.35359104    -14.45934562
  O     12.42053956      2.26573436    -14.47910424
  H     18.06065051      8.92627242    -10.93147163
  H     15.02621501      3.69129001    -13.53590082
  O     11.67840543      6.98804748     -9.11026145
  H     17.29912140      9.14484647     -9.60128472
  H     16.86579109      5.83840778     -9.01095005
  O     18.30129723      4.52287336    -11.77287282
  H     13.96364286      6.34328542    -12.40001636
  H     15.54271277      4.98514866     -9.03313751
  O     14.50540277      3.99937705    -14.29126097
  H     13.50522155      5.32639284    -13.47635491
  H     18.47358267      7.04142553     -9.62853893
  O     15.90193635      5.88058972     -8.97144713
  H     15.10825164      9.45961354    -14.26551453
  H     19.41721260      6.09914331     -8.84491680
  O     18.64250802      6.10782076     -9.40021687
  H     15.38366890     10.96660979    -14.47603322
  H     14.82656460      9.95107598    -12.17950414
  O     14.42349052      9.55597722    -11.39595618
  H     14.91728235      7.32377058    -15.29240805
  H     14.87863778      9.88085178    -10.60835726
          69
 Energy    -248.75236511415480     
  O     11.88468876      9.24077828    -13.99589993
  H     11.51586072      8.69799529    -13.28895935
  H     20.93197641      6.91593795    -14.58912491
  O     16.72155700      5.49353138    -12.18180929
  H     12.72079463      9.57863664    -13.65737983
  H     13.87893385     10.22709616    -16.19112089
  O     17.33829852      9.90795721    -12.24226484
  H     17.46636240      6.08906920    -12.01769185
  H     15.37335740      9.91221027    -16.04771070
  O     16.49616137      8.28293361    -16.06702066
  H     16.04572771      5.67045861    -11.51157145
  H     15.88016450      6.82218298    -13.18830111
  O     13.80791097      5.25129500    -14.76899719
  H     17.40408877     10.23343131    -11.33451005
  H     14.63449546      6.73864839    -14.09210367
  O     15.15861997      9.40977128     -8.54993741
  H     16.41732972     10.01233549    -12.50875153
  H     10.32500065      7.48505067    -11.35439257
  O     14.72758728      6.24053653    -10.44443410
  H     16.06668484      7.96200873    -15.25874096
  H     11.60341866      6.83964086    -11.94613506
  O     14.61010245      9.89123893    -13.12396764
  H     17.26254117      8.79899799    -15.77004290
  H     18.19831097      8.80943329     -9.18019135
  O     16.13636196      6.74100708     -8.07638732
  H     13.77992629      5.73886004    -15.60740836
  H     18.60372672      7.60672160    -10.04542743
  O     18.11724021      5.93024904    -15.71539038
  H     14.61197100      4.71613582    -14.77552303
  H     12.93957757      5.28653190    -13.10980241
  O     16.36748432      4.02855687    -14.45537231
  H     15.39396054      8.52693284     -8.24025147
  H     13.34269571      5.50552318    -11.62144539
  O     20.06524291      7.15727167    -14.27431027
  H     14.49757409      9.27915965     -9.24368640
  H     19.21611721      8.86586769    -14.64757172
  O     14.69300110     10.54014846    -15.77698620
  H     14.36924528      7.12419273    -10.60623346
  H     18.24258883      9.84291944    -13.95631931
  O     15.28666294      7.35336477    -13.73040071
  H     15.14923635      6.28062270     -9.57612355
  H     18.16333811      8.27909182    -12.05080066
  O     11.16664137      7.68918350    -11.75223273
  H     14.80678290      8.95263882    -13.29227928
  H     19.23679771      7.32264143    -12.64436889
  O     18.36801429      7.86006062     -9.14316793
  H     14.65333803     10.32811758    -13.98831788
  H     17.63170638     11.35449860     -9.03906172
  O     12.59074939      5.45052671    -12.22347188
  H     16.98145331      7.07484764     -8.42837968
  H     16.58144349     10.22177164     -9.14521731
  O     18.57089911      9.56241169    -14.81984906
  H     16.33569265      6.29043631     -7.26035184
  H     13.39327074      7.68975941    -16.90174369
  O     18.62962278      7.44321192    -11.90326137
  H     17.52666931      5.23685908    -15.39924194
  H     14.90157089      7.38979142    -16.89137976
  O     17.42192096     10.55260971     -9.51029136
  H     17.55452867      6.65056853    -16.02424262
  H     12.67206127      8.51730864    -11.00536759
  O     14.03559966      6.96751839    -16.89855118
  H     16.57208631      3.10293683    -14.34677914
  H     13.90588450      9.31914648    -11.50670537
  O     13.56134798      8.80651019    -10.76382472
  H     16.52878818      4.45607391    -13.59565937
  H     11.55787777      9.52467200    -17.15661728
  O     12.31166903      9.20519046    -16.66809154
  H     19.42101476      6.65469535    -14.80477672
  H     12.05038414      9.18054618    -15.73008300
          69
 Energy    -248.75215433019574     
  O     15.97473578      3.85026886    -13.62360267
  H     16.03153932      2.89961369    -13.66574623
  H     14.99288990     11.02596079    -14.42821730
  O     14.57375412     12.33286154    -11.45811215
  H     16.65519076      4.20091045    -14.22700722
  H     16.09200002      8.34173933    -13.48678765
  O     17.18464185     12.09390626    -12.62716330
  H     15.49421802     12.35008471    -11.74452207
  H     15.95783747      7.29845981    -12.34236344
  O     12.24650995      7.47835721    -15.85013324
  H     14.06576147     12.05021293    -12.23093979
  H     12.84996766      7.21086637    -11.70176398
  O     14.90494123      6.10851075     -9.51222691
  H     17.76670967     12.82095796    -12.83482692
  H     13.55329254      6.09133920    -10.93294482
  O     13.34982914     10.98962161    -13.62248250
  H     16.78404576     11.81294491    -13.46666967
  H     16.39171453      5.02042180    -12.23288694
  O     14.17278792     10.42915860    -17.16562108
  H     12.64955965      6.81208192    -15.28159093
  H     16.07907341      5.71840812    -10.86579809
  O     17.70713208      5.05427225    -15.31453110
  H     12.75097109      7.47473709    -16.67342290
  H     14.44667278      4.92022926    -14.10993052
  O     16.95753449      8.62847386    -15.05760913
  H     15.19560252      7.02138546     -9.33505661
  H     13.50136877      5.88397001    -13.38044055
  O     15.57143502      6.58176993    -16.25095912
  H     14.79691836      5.68817007     -8.66327000
  H     17.52343086     10.54246093    -11.51258351
  O     19.34326541      7.27183977    -14.48025783
  H     12.70733397     10.82073551    -14.32127908
  H     16.82672119      9.17815771    -11.62351122
  O     15.84994540     11.14126339    -14.86672222
  H     13.24031226     10.27156332    -12.98089027
  H     18.25027493      6.69958498    -11.66264568
  O     15.70344333      8.18985997    -12.61658761
  H     13.31248795     10.47665166    -16.72749306
  H     18.63114951      8.18595428    -11.48086251
  O     12.99425509      6.25416604    -11.70088113
  H     14.81098396     10.79555487    -16.54426332
  H     15.07425306      9.35940876     -9.09775661
  O     16.64931171      5.74165333    -11.64599928
  H     18.34665040      5.71743867    -15.03001390
  H     16.47408000      9.02454427     -9.62928922
  O     13.83926610      5.65451834    -14.25974983
  H     17.03065469      5.53620925    -15.81224490
  H     13.85336519      7.88981316    -19.05478743
  O     17.48700175      9.66908103    -11.10850813
  H     16.46674435      7.95969447    -15.55651351
  H     14.11951719      8.81413196    -17.84132720
  O     18.95903371      7.34075489    -11.81372091
  H     17.84046638      8.27046222    -14.90120818
  H     14.09964988     11.31959350    -10.11642720
  O     15.74626884      8.66604525     -9.10584712
  H     14.93315132      6.32353761    -15.56974372
  H     13.18922970     11.12053273     -8.88252117
  O     13.98836436      7.88748526    -18.11138723
  H     15.07586369      6.94777040    -16.99368011
  H     11.85008386      9.17797854    -15.68428855
  O     13.78205791     10.66208656     -9.47174506
  H     19.27695023      7.28957668    -13.50835166
  H     10.81025205     10.29279102    -15.94850117
  O     11.72440305     10.14326500    -15.72349544
  H     20.26398906      7.39066690    -14.69637514
  H     13.35120535      9.49318232    -10.88762474
  O     13.24611663      9.01750551    -11.72021408
  H     16.25878874     10.26852430    -14.97341924
  H     14.12787707      8.71291624    -11.99514104
          69
 Energy    -248.75187104377812     
  O     13.09557478      5.37225330    -10.19474091
  H     13.36527114      5.97855412     -9.49510130
  H     17.25581315      9.00793277    -12.35054820
  O     15.37503257      8.40778511    -16.69450373
  H     13.91295294      4.94996384    -10.48778721
  H     15.06996133      8.40352299    -12.05703101
  O     18.29358285      8.52175674    -13.72816959
  H     15.48484476      8.49641757    -17.63924578
  H     13.69677211      8.29699396    -11.36078730
  O     12.64380511      8.11589502    -16.19632308
  H     14.42335622      8.31143733    -16.53557762
  H     11.81989214      5.81875786    -11.33205739
  O     18.19559826      3.53729119    -11.69870145
  H     17.79267598      7.82540947    -14.17838583
  H     10.35239871      5.53391459    -11.70863105
  O     12.30665315      6.03945050    -14.52013309
  H     19.09135525      8.10725887    -13.37818361
  H     21.28225126      7.09502137    -12.46616588
  O     16.59822469      7.09918462     -9.84480415
  H     12.48991207      7.34269198    -15.62212080
  H     19.95329753      6.67086370    -11.79528979
  O     14.06912598     11.67303324    -10.43849692
  H     11.90917174      8.15655009    -16.80299774
  H     14.50298243      6.51875509    -12.98200748
  O     18.83641575      4.92232855    -13.94913563
  H     18.39933069      3.96392615    -12.55039192
  H     15.14052391      5.16003281    -12.65950344
  O     14.99859596     11.21675056    -13.00241986
  H     18.57014069      2.66139917    -11.73275375
  H     16.20342283      9.83343784    -15.63657353
  O     12.75544112      9.69940552    -13.81669469
  H     13.18384218      5.72752254    -14.25703928
  H     17.38381303      9.91091351    -14.65759883
  O     16.60667569      9.23720711    -11.66923380
  H     11.79413423      6.05797183    -13.70271091
  H     16.10312133      6.21389773    -14.48495218
  O     14.18046692      8.03643520    -12.15394265
  H     16.64002835      7.89800688    -10.38863493
  H     16.36591827      7.12629998    -15.70753826
  O     11.10434796      6.07420620    -11.94013383
  H     15.84617130      7.20517645     -9.24908004
  H     18.85380730      5.07135519    -10.72215196
  O     20.35014645      6.98114498    -12.62932177
  H     14.05861893     12.59146973    -10.18094079
  H     18.31253376      6.37832632    -10.10393711
  O     14.80801476      5.69280446    -13.39198139
  H     14.41552792     11.65388088    -11.34435706
  H     10.92087075      7.96300618    -11.84645634
  O     16.67245212     10.43583749    -15.04788833
  H     19.45228490      5.59299391    -13.62801316
  H     11.36298165      9.29222040    -12.50405266
  O     16.80396177      6.57500283    -15.04930033
  H     18.17078730      5.39550898    -14.46424937
  H     16.52004178      4.14060251    -11.19012800
  O     19.11366953      5.95802312    -10.44309864
  H     15.62030125     11.10073340    -13.73580504
  H     16.03529355      5.50169158    -10.63268266
  O     10.93590309      8.92119734    -11.72171470
  H     14.16392747     10.83577780    -13.30892341
  H     13.70312797      8.06355864     -8.84220484
  O     15.72905947      4.66092556    -11.00299576
  H     13.24956432      9.04810760    -13.29202049
  H     13.99823530      7.44360241     -7.45499865
  O     14.17117119      7.34073891     -8.38715826
  H     12.64809222      9.30508020    -14.68847716
  H     12.11645665      9.18014249    -10.39742872
  O     12.94073353      9.21480530     -9.88997066
  H     16.14911848     10.02993722    -11.97534793
  H     13.32235938     10.09682313    -10.00670660
          69
 Energy    -248.75145298980743     
  O     17.98791938     12.16748841    -18.12059940
  H     17.12669082     12.28431384    -17.67966179
  H     17.01475061      4.80336706    -11.46912536
  O     15.04861023      6.53265943    -13.24429307
  H     18.06115670     12.85842537    -18.77298292
  H     20.55552405      8.35175006    -16.90088564
  O     19.41471669     11.68156923    -11.63544603
  H     14.92604834      6.65237244    -14.19257520
  H     20.69421994      9.67062411    -16.12139788
  O     21.38069743      7.39337022    -13.87113277
  H     14.77669263      7.35017406    -12.81006663
  H     17.85979968      8.21115501    -15.30429478
  O     15.08691871     11.89867912    -11.34025910
  H     19.21462193     12.20943786    -12.41590808
  H     17.02038983      9.35947281    -14.67180120
  O     14.93002566      9.04175284    -11.83526129
  H     19.58282499     10.78681710    -11.96367835
  H     15.20097693     11.38128682    -16.94936483
  O     18.72637008     13.03479346    -14.07924343
  H     22.30299438      7.18325470    -13.75243778
  H     15.56992300     12.47236847    -15.90476647
  O     19.14100210      5.60585935    -14.06472628
  H     21.31014243      7.87712323    -14.71360809
  H     18.20886114      8.55857378    -11.45084316
  O     15.39348231      9.97522134    -14.36469013
  H     14.53541087     12.39083683    -10.73754433
  H     17.40546743      7.30231396    -11.08855351
  O     17.71451723      6.56083728    -16.15060078
  H     15.88307969     11.63740712    -10.84065106
  H     15.07091099      9.60878952    -16.03608361
  O     14.98905430      6.61358417    -16.15407034
  H     14.79827700      9.95903034    -11.56786052
  H     14.81366917      8.41110023    -16.92553890
  O     17.23865006      5.61357528    -11.92031562
  H     15.79700627      8.77951982    -11.48832819
  H     18.05439138     11.32831546    -10.51217231
  O     21.05930089      8.78075065    -16.19782355
  H     19.19227999     13.84711400    -14.26418826
  H     17.33525563     10.03313953    -10.08734570
  O     17.92065660      9.06633802    -14.86351331
  H     19.04700512     12.37727361    -14.71851986
  H     20.25947740      8.51035111    -12.87173562
  O     15.60403172     12.25117785    -16.84317368
  H     19.92261752      6.14796653    -13.90357032
  H     18.92610192      9.07498512    -13.39372321
  O     17.45588780      8.25167161    -10.92451075
  H     18.60410123      5.62233027    -13.26282902
  H     19.60661512      7.25635306    -19.01762225
  O     14.98717604      9.35849683    -16.97023149
  H     15.16810915      9.59425675    -13.50748145
  H     18.65228239      8.26423919    -18.32954096
  O     17.26636152     10.99382796    -10.05610319
  H     15.57038491     10.91559340    -14.22454075
  H     15.63651367     12.52660153    -13.04540621
  O     19.50612328      9.05484533    -12.61742258
  H     18.22772746      6.12324403    -15.45253301
  H     16.87965317     12.81704670    -13.94063419
  O     19.34961366      7.60188241    -18.16706140
  H     18.31023522      6.77443936    -16.87873064
  H     18.85531266     10.38417464    -15.63107248
  O     15.93177559     12.62731417    -13.96080504
  H     14.64506327      5.80982294    -16.53688331
  H     19.01079412     11.47007594    -16.74036141
  O     19.41267270     11.11859627    -15.93530373
  H     15.95955392      6.54377117    -16.18892760
  H     17.62313005     10.34928675    -18.50688019
  O     17.38678899      9.41496429    -18.48543452
  H     16.44986279      5.87650021    -12.42815590
  H     16.55551080      9.36250519    -17.99575791
          69
 Energy    -248.75140748858530     
  O     12.57875634      8.03254358    -15.83881542
  H     13.38750370      7.69613304    -16.24792756
  H     18.22017327      6.07835308    -14.95759004
  O     17.90486262      7.07894725    -13.42520191
  H     12.64250538      8.99371367    -15.89082056
  H     21.00648836      8.35647502    -12.76634300
  O     16.65429991     11.86235618    -12.94188986
  H     18.68663971      7.57872155    -13.16674272
  H     20.13662127      9.18109898    -13.73373702
  O     17.58952874     11.15724442    -15.39238041
  H     17.31925510      7.69606645    -13.89336128
  H     16.21950062     11.24309901    -16.62276979
  O     15.62698163      4.58610843    -16.00871113
  H     16.87288249     11.74406395    -12.01156642
  H     15.77813565     10.33315526    -17.78065665
  O     15.08933101      9.38906781     -9.68407852
  H     15.79086465     11.43750110    -13.05297694
  H     15.54740514      9.22713923    -14.19921653
  O     15.90759251      6.33812411    -11.69414747
  H     17.35850954     11.49306383    -14.51016601
  H     16.76306010      9.51227936    -15.09274269
  O     14.35233075     10.36172885    -13.37507634
  H     18.50923849     10.87547528    -15.37531593
  H     12.21306628      7.15040853    -14.40213691
  O     18.83272974      8.17874698    -17.04604795
  H     15.39556149      3.72374609    -16.34226281
  H     11.17145830      6.37483901    -13.55940360
  O     16.99302921      7.28336887     -9.28593957
  H     15.20246261      4.67062574    -15.13561762
  H     18.24300835      9.89985729    -10.34602806
  O     20.12924483      9.85825928    -15.41735505
  H     15.63964677      8.63996777     -9.42160193
  H     19.20588303      9.05440296    -11.21456883
  O     18.25559625      5.73850718    -15.86252078
  H     14.48196787      9.04770626    -10.35157254
  H     13.57268522      5.45351113    -13.61882802
  O     20.13514580      8.73363754    -12.87308169
  H     16.23241358      6.50935784    -10.80228648
  H     14.92599658      5.30146785    -12.89244361
  O     15.46974943     11.03768587    -17.19912234
  H     16.64435356      6.54362233    -12.28924310
  H     16.24707945     10.67539708    -10.01244992
  O     16.22534106      8.79447952    -14.73303802
  H     13.99778319      9.63648113    -12.84302473
  H     16.94568399     11.95567002     -9.50224645
  O     12.08342482      6.65160270    -13.57508598
  H     13.78447701     10.51025156    -14.14130606
  H     15.91753130      8.13302009    -18.01588672
  O     18.72866449      9.06456242    -10.37833393
  H     18.65930446      7.28516006    -16.71390871
  H     16.29843396      8.43944553    -19.48312836
  O     14.40304712      4.96302000    -13.63116923
  H     18.09900754      8.40818303    -17.62538266
  H     14.51699119      7.53382606    -11.83005971
  O     16.99135799     11.28185457    -10.17570062
  H     17.36192350      6.91842122     -8.48648182
  H     13.06681129      7.64639309    -12.34903913
  O     16.44354710      8.72262150    -18.58383220
  H     17.67233459      7.86792064     -9.66915640
  H     13.94245165     10.90318610    -16.36681923
  O     13.75137638      8.12594315    -11.86659256
  H     19.69404692      9.22916317    -16.02437311
  H     12.56396764     11.55313784    -16.11253517
  O     13.11052342     10.81111425    -15.86803073
  H     20.84627307     10.25700072    -15.90337408
  H     15.51372797      7.73791807    -16.00338308
  O     15.10949149      7.23472003    -16.72817847
  H     17.43770792      5.24152789    -15.97503321
  H     15.27740420      6.29925651    -16.56014413
          69
 Energy    -248.75095649474866     
  O     10.65244321     10.22705372     -8.85840243
  H     10.75593347     10.86155558     -9.58566154
  H     13.55089735     12.11228238    -14.08909682
  O     13.75478325      8.73485730    -16.70578661
  H      9.78431217     10.37381209     -8.48945332
  H     17.06388515      9.01894168    -11.42823623
  O     11.37414253      7.91398434    -10.49615214
  H     13.34204826      9.61695995    -16.73023527
  H     17.24525442      9.92973276    -10.18430664
  O     14.43967375      8.37684618    -14.02147688
  H     14.16189198      8.60004442    -17.55735366
  H     15.56241845      7.71433786    -12.80575148
  O     12.42768621     11.11255204    -16.70391745
  H     12.30662305      7.77020802    -10.27893324
  H     16.56987914      6.65083472    -12.31169591
  O     11.82595322      8.47462514    -13.14434681
  H     11.07001367      8.60796015     -9.90140624
  H     12.20700789     14.92808008    -11.62731033
  O     14.81400902      8.30699886     -7.42359483
  H     14.32912573      8.41579007    -14.98002562
  H     12.10446861     13.39302270    -11.52029770
  O     13.68451657     10.55444411    -10.91386642
  H     13.54639091      8.37148171    -13.64183123
  H     14.44564552      7.95326397     -9.18378228
  O     13.08951577     10.38645750     -7.32745330
  H     11.48954543     10.89610899    -16.63406542
  H     14.86805517      7.64169261    -10.66145811
  O     15.33625756     13.92950139    -10.84803501
  H     12.59685232     11.78569967    -16.03251663
  H     17.27940872     11.36182405    -11.91087097
  O     11.27697387     11.80026642    -11.04754799
  H     11.45812831      9.35809897    -13.27412501
  H     17.93122683     12.53175976    -12.68866130
  O     12.80263148     12.66701313    -14.36445732
  H     11.60011471      8.20450532    -12.24302885
  H     11.40159437     11.59398395    -13.92356768
  O     17.43161542      9.85727451    -11.13348219
  H     14.83168477      7.81801160     -6.60594450
  H     10.19756975     10.76487593    -14.43033291
  O     16.11426113      7.44776066    -12.05133406
  H     14.16684327      9.02739634     -7.30835276
  H     14.34873395     11.52192815     -9.54936853
  O     12.60557867     14.11511349    -11.93086292
  H     14.12142430     10.71653202    -11.75891238
  H     14.97379652     12.89702600     -9.33911260
  O     14.13444933      7.91417305    -10.09818907
  H     13.82811103      9.63374454    -10.66133923
  H     15.66613602     11.41483844    -13.19694030
  O     17.09111237     12.18132890    -12.40629318
  H     12.24769613     10.34174147     -7.79524234
  H     14.85182585     10.15133925    -13.69920497
  O     10.68290788     11.01202333    -13.63417472
  H     13.58289987     11.12636270     -7.70923173
  H     10.17923982      9.24603293    -16.07140461
  O     14.68405420     12.11231571     -8.85686827
  H     14.49442327     13.99535946    -11.31288770
  H      8.97032280     10.02545458    -16.64459182
  O     14.79098377     11.07573799    -13.42892450
  H     15.91898542     13.39602024    -11.40187398
  H     16.12642300     10.94241708     -8.53022145
  O      9.77711931     10.13016101    -16.14832356
  H     12.12561988     11.32881355    -10.98101167
  H     16.21323408      9.48674028     -8.04887018
  O     16.71285529     10.17400799     -8.50305931
  H     10.87675952     11.52714696    -11.88479726
  H     12.02605686      7.95351495    -16.19442419
  O     11.16231977      7.81924754    -15.78699571
  H     12.72255403     13.34697255    -13.68588099
  H     11.31975868      7.85176946    -14.83224965
          69
 Energy    -248.75092514388024     
  O     13.48111189     12.30921525     -8.14918981
  H     13.94263987     13.10713301     -8.46733177
  H     11.33073357     13.49420699    -13.39201498
  O     11.65438521     10.55512655    -15.07255271
  H     13.44113788     12.37335487     -7.19924885
  H     16.01627010     13.85816688    -16.48472851
  O     15.13174698     10.46957344     -9.72994009
  H     11.36343312     11.39771251    -14.69488264
  H     16.95152464     14.21768166    -17.66544449
  O     18.20551262     13.41020440    -12.73790148
  H     11.85807112     10.73195975    -15.99965093
  H     12.95393668     14.86811408    -11.80631191
  O     11.90923143     11.97542759    -10.41887827
  H     14.47013528     10.02947350    -10.27935763
  H     12.28757195     13.49988460    -11.39699401
  O     13.05397298      9.66360690    -11.50834733
  H     14.62853268     10.97263450     -9.07821499
  H     11.64685806     13.70224568    -15.52473574
  O     14.19286254     10.16491915    -14.02186221
  H     18.08368660     12.87722434    -13.54350848
  H     12.34938168     13.10599973    -16.75538205
  O     14.20661282     16.17322254    -11.37602733
  H     19.13911526     13.59356295    -12.67286123
  H     15.18694524     12.69907409    -12.32427327
  O     10.61368335      9.25259302    -12.74582644
  H     12.34098584     11.21004352    -10.82669683
  H     13.78670933     13.14656000    -12.80926774
  O     14.86704367     14.32109553    -15.25943619
  H     12.32758972     12.09769994     -9.55738149
  H     17.55226240     12.51438005    -15.77624390
  O     15.18714883     11.11451304    -17.60213886
  H     12.18753870      9.34686219    -11.80285903
  H     17.42012308     11.12488567    -15.12722909
  O     10.73943292     12.97689607    -13.95992706
  H     13.57159837      9.75652765    -12.31884076
  H     13.46000159     11.27469747    -17.63409692
  O     16.66057535     13.49383459    -17.11773719
  H     13.32017739     10.20391321    -14.43656232
  H     12.17844536     11.21742555    -18.49743669
  O     12.43247397     14.12147511    -12.12515469
  H     14.38725318     11.06449307    -13.71302979
  H     16.62896590      8.66823138    -15.43432293
  O     12.31491528     13.89105194    -16.19434819
  H     14.08234548     17.11854955    -11.39193194
  H     15.59724464      9.71007763    -14.93943872
  O     14.57959021     12.66259092    -13.07471803
  H     14.95916972     15.98273472    -11.96365459
  H     17.07677155     12.74431211    -11.37884726
  O     17.82144572     11.99393491    -15.00916562
  H     10.88794830      9.52660998    -13.63130565
  H     16.08803983     11.80766569    -10.53719203
  O     12.49438479     11.39875162    -17.61629515
  H     10.06144142      9.97132900    -12.41586386
  H     10.26206576     11.82995265    -11.17919087
  O     16.38058286      9.58612586    -15.50409898
  H     14.87326222     13.67524278    -14.53725597
  H      8.71761343     11.85407549    -11.16776561
  O     16.25523181     12.69939228    -10.87696782
  H     13.97027982     14.30392968    -15.62449968
  H     16.91461376     14.91528301    -12.94932181
  O      9.47244895     11.70483326    -11.73173560
  H     15.60794111     10.50867605    -16.98043754
  H     15.79602379     15.31013537    -13.93610640
  O     16.22999808     15.57367170    -13.11333065
  H     15.70206377     11.93001591    -17.56216932
  H     14.56903719     15.11007046     -9.82642397
  O     14.80937856     14.37595138     -9.25187141
  H     10.10326106     12.58255838    -13.35174265
  H     15.41322317     13.83136302     -9.78101800
          69
 Energy    -248.75092214312792     
  O     -3.53742129      1.69936809     13.82869907
  H     -2.74072414      1.93054491     14.32760089
  H      2.09402546      1.97342558     16.10019297
  O     -3.46664697      3.96071412     16.42821214
  H     -3.89481303      2.55730485     13.57191082
  H     -4.36329551      1.21992543     15.50868407
  O     -1.89737977     -2.10607914     18.35558815
  H     -2.65646329      3.55436195     16.08616451
  H     -4.32326054      2.24787947     16.62831756
  O     -0.83463710      1.02606200     17.28114980
  H     -3.87667475      4.33730013     15.64114586
  H     -1.13123041      2.06827620     15.99026818
  O     -2.08212318      3.89858290     18.90929985
  H     -1.50293041     -2.03809657     17.47479061
  H     -0.73119547      2.36282421     14.50796760
  O      1.99986560     -0.25878954     18.69198336
  H     -2.75020645     -1.65631939     18.31125463
  H     -1.63048211      0.54486059     20.04798816
  O     -0.37450818     -0.88098896     20.23147748
  H     -0.80441756      0.13410018     16.91101573
  H     -3.03725829      0.61630891     19.38862376
  O      0.77355709      4.06946041     11.90440151
  H     -1.39152151      1.02687166     18.06738348
  H      0.61153009      5.53804288     19.12464361
  O     -4.23928017     -0.45606864     18.45539740
  H     -2.21905044      3.01153986     19.26457383
  H     -0.50447909      4.56566039     18.67219877
  O      0.32406002      1.63803759     13.25215891
  H     -2.69020899      4.00709765     18.16714523
  H     -0.98890313     -1.15254233     15.11934994
  O     -1.41402956      5.38125809     13.27253231
  H      2.00107907      0.69945303     18.56446879
  H      0.33858246     -1.41580962     15.90941106
  O      2.29782823      1.59159358     15.23370438
  H      1.23078722     -0.45676205     19.23957828
  H      1.69947435      4.64470386     14.70690246
  O     -4.53598385      1.32339179     16.45190139
  H     -0.26604905     -1.43044263     21.00377961
  H      2.55992920      3.38640962     14.46394406
  O     -1.26437177      2.68024982     15.24943548
  H     -0.88580978     -1.40242849     19.58546931
  H     -0.32163112      4.23227228     15.52625404
  O     -2.28005308      1.15057088     19.66648641
  H      1.20614085      4.31442180     11.09079408
  H      0.25207261      5.17464405     16.60207749
  O      0.38881852      4.89240460     18.45958848
  H      1.41952381      4.20994494     12.62089858
  H     -4.58384881      5.14614773     13.18206726
  O     -0.62355641     -1.40617176     15.98067608
  H     -4.36964081      0.14555926     17.70028585
  H     -3.10118447      4.85699960     13.48995667
  O      2.35025906      4.25624939     14.10437074
  H     -5.10576017     -0.75713235     18.71596478
  H      0.67663239      1.88769312     17.65528905
  O      0.14453274      5.07206623     15.64927679
  H      0.46810634      2.38155426     12.65370819
  H      1.26055720      3.25785363     18.07796967
  O     -4.01049255      4.55667707     13.66505152
  H      1.07300728      1.60019114     13.86515402
  H      2.86384937     -1.81059541     16.03062983
  O      1.50733623      2.37111094     17.79333964
  H     -0.93202015      5.53589527     14.09478876
  H      2.17533945     -0.88508916     17.06241381
  O      2.20524277     -1.12623010     16.11867550
  H     -0.77264447      4.97233065     12.67960942
  H     -2.39481288      0.09623780     13.51176087
  O     -1.57455964     -0.40024068     13.60714006
  H      2.38915651      0.64438489     15.39337187
  H     -0.87415771      0.20676807     13.32896224
          69
 Energy    -248.75077848113330     
  O     17.46473694      7.89734423    -13.43509479
  H     17.92325678      8.26715452    -14.20425857
  H     13.93444342      8.31606903    -15.62887768
  O     11.82597312     11.11689731    -11.13876226
  H     17.96369023      8.10700444    -12.63428562
  H     11.34408750     11.31930979    -15.83127426
  O     18.54090766      9.17125078    -15.57202736
  H     11.39657507     10.50017216    -11.76085278
  H     12.32198746     11.45205855    -14.63889467
  O     10.87868839      9.40457527    -12.99346156
  H     11.15867239     11.39789100    -10.51908787
  H     15.25145227      6.76259375     -9.60679988
  O     15.72372269      5.85763391    -13.09508221
  H     17.83157231      9.52190255    -16.12446710
  H     16.14835925      7.90702868     -9.08718267
  O     18.63041470      8.53107584    -11.01963688
  H     19.04955705      9.93802577    -15.27792163
  H     14.43893124      9.53027149    -11.90923335
  O     19.40135140     11.06072941    -11.94396924
  H     11.13570576      8.47539777    -12.95299750
  H     13.29850072     10.03566638    -10.96610608
  O     16.45914446      9.74848120     -9.72370739
  H     11.17050165      9.74805024    -13.84673594
  H     18.90645159      5.52245422     -9.19719131
  O     11.70715842      6.68929741    -12.73733644
  H     16.20536380      5.04162248    -12.98281638
  H     17.59684824      6.24525042     -9.55405184
  O     16.36585249     10.36956086    -16.99785247
  H     16.39062194      6.55131125    -13.23765050
  H     15.67013391     11.37749320    -13.14942093
  O     13.64654377      6.75346425    -14.85197176
  H     18.74834830      7.64808216    -10.64295902
  H     16.30769854     12.59015440    -13.85537104
  O     14.12699074      9.23448933    -15.87486325
  H     17.88551913      8.93332859    -10.54966196
  H     16.11901276      9.07609507    -13.39779477
  O     11.92102558     10.81757975    -15.26122698
  H     18.72205265     11.56924457    -11.48637510
  H     14.88544580      9.51386456    -14.23988969
  O     16.02569548      6.94983900     -9.06411888
  H     19.30931980     10.15277334    -11.62579457
  H     19.67051169     11.36848800    -13.62448518
  O     14.05129029      9.43673255    -11.02424877
  H     16.72733329     10.66127427     -9.88587722
  H     20.66640208     11.84233723    -14.70745119
  O     18.47833691      6.01376352     -9.89382153
  H     15.57968651      9.66513115    -10.12131782
  H     18.15496784     12.31663904    -15.14002767
  O     15.81048285     12.33275800    -13.06488351
  H     12.42154424      6.63342953    -12.08155810
  H     16.92150794     11.91723868    -15.97043266
  O     15.33917090      9.64699149    -13.39911308
  H     11.10633391      5.97218994    -12.54850803
  H     13.94779004      7.66310875    -11.03119086
  O     19.77736498     11.52263848    -14.58026966
  H     16.28568685     10.36593273    -17.94885210
  H     14.58083676      6.41835873    -11.73970877
  O     17.25781019     12.59299574    -15.36932102
  H     15.56031520      9.95139626    -16.65215409
  H     16.65254311     12.40835017    -11.51009529
  O     13.92610095      6.69404185    -11.08215346
  H     14.39032011      6.37257877    -14.36859217
  H     17.15589343     13.20331020    -10.28331278
  O     17.15798239     12.33675030    -10.68195567
  H     12.89726961      6.70395971    -14.24674434
  H     12.64523346     12.13992977    -12.54082998
  O     13.00230680     12.43937527    -13.38589287
  H     13.32146507      9.75477028    -15.75689864
  H     13.95393271     12.54914943    -13.26402790
          69
 Energy    -248.75040595274362     
  O     12.40249475     11.13214171    -14.63750334
  H     12.71418396     10.42656285    -15.22077623
  H     13.90513902      5.85265051    -15.84824632
  O     15.55170850      6.23888733    -13.18236588
  H     13.11926289     11.77602566    -14.60590562
  H     16.16770853     10.85623410    -16.90590699
  O     17.33252067     10.57815387    -10.63055334
  H     16.47373697      6.09915176    -12.93687987
  H     17.14188692     10.97408325    -15.72277990
  O     18.08651110      9.78494635    -14.66433298
  H     15.04998843      6.47965989    -12.39115191
  H     16.41519433      9.14199981    -14.33699583
  O     12.15784437      6.62562305    -15.62378448
  H     16.62073974     10.78078784    -11.25534196
  H     15.55301456      7.95250444    -13.79522227
  O     15.33399574      9.68111124     -8.75168139
  H     17.50665001      9.62218987    -10.67903364
  H     11.59559245     10.40589957    -13.28155614
  O     13.99707769      7.12761417    -11.06350077
  H     18.55142685      8.96789921    -14.87343904
  H     10.29195571     10.29547415    -12.45624002
  O     15.24918185     11.01393870    -12.43128220
  H     18.55309743     10.21965470    -13.93508024
  H     17.15585105      7.42064748    -10.09760795
  O     16.88531735      7.12123729    -16.89222523
  H     12.04801594      6.77852419    -14.66755748
  H     18.02560183      7.26515881    -11.37510061
  O     15.73620915      6.99669485     -8.86157668
  H     11.35574977      6.21054297    -15.92821806
  H     12.53825680      7.02218028    -12.31386660
  O     19.01376130      7.17140907    -15.28594920
  H     16.05968504     10.11847043     -9.21512691
  H     11.58340425      8.11738083    -12.83690492
  O     14.83899945      5.61981245    -15.80408809
  H     14.54826573      9.82701263     -9.29571199
  H     19.97479357     11.63948197    -12.25253125
  O     16.47364856     11.46341808    -16.22205036
  H     13.80378277      8.07416835    -10.99854032
  H     18.67983451     10.95329425    -11.79077848
  O     15.51879462      8.86862140    -14.09648016
  H     14.50610699      6.91261484    -10.27237939
  H     18.84608691      5.26051028    -12.71934011
  O     11.17418832      9.94289833    -12.53509258
  H     15.10215797     11.74647373    -13.03977945
  H     18.60885631      6.45440017    -13.66812659
  O     17.76588250      7.88347912    -10.68442260
  H     15.30128559     10.21665580    -12.98168701
  H     15.11569848      9.46432147    -18.83085554
  O     11.88926694      7.21615788    -13.00019508
  H     16.15702128      6.55718256    -16.59000950
  H     14.71160037      9.27378101    -17.35025560
  O     19.29002136     11.04159022    -12.53991052
  H     16.48476863      7.89262176    -17.30569592
  H     14.01311626     10.34374665    -11.33944852
  O     18.34387753      6.06616829    -12.81916837
  H     15.59889316      7.95171053     -8.71809301
  H     12.53119628      9.92726825    -11.24650081
  O     15.46808203      9.41570386    -17.94577364
  H     15.78633940      6.59459087     -7.99904327
  H     14.86166987     13.70762677    -14.69958109
  O     13.37929912      9.85396649    -10.79338616
  H     19.79235462      7.02668060    -15.81686116
  H     15.36621850     12.33213424    -15.19137872
  O     14.75745334     12.76914397    -14.56885077
  H     18.24806700      7.11733721    -15.88995129
  H     14.24191593      8.95088695    -15.34221338
  O     13.56518482      9.00512581    -16.03665378
  H     15.07240876      5.70041577    -14.86820012
  H     13.03723720      8.19884769    -15.98397012
          69
 Ord_Energy   -248.750122    
 O    2.32842255      0.969420373       4.86985683    
 H    3.19947457      0.777496576       4.50327587    
 H    1.78737485      0.191315979       4.68996954    
 O   -3.39813614      -2.08160043     -0.361810476    
 H   -4.23103380      -2.28433418     -0.779359043    
 H   -2.70510173      -2.21493363      -1.03362727    
 O    4.71418715      0.233975947       3.43341899    
 H    4.26167107     -0.531178951       3.04030609    
 H    5.58038807      -6.34106472E-02   3.69963765    
 O   -1.25692964      -2.29774618      -2.01400018    
 H  -0.886139989      -1.42478669      -2.19393373    
 H  -0.642348647      -2.72473574      -1.40088463    
 O   -6.56088665E-02  0.300575674      -1.81756425    
 H   0.324575961       1.12055922      -2.14304209    
 H   0.618836224     -0.113945737      -1.27470541    
 O   -2.10360360      0.438182980      0.128431901    
 H   -2.68650293     -0.306755573      -6.02684207E-02
 H   -1.42926025      0.446456462     -0.564413667    
 O    3.68519378       2.24285960       1.71954954    
 H    4.18467140       1.62677360       2.26673961    
 H    3.76513720       1.96086204      0.795334458    
 O    1.37168682       2.69160748      -2.27278423    
 H    1.08781123       3.14462352      -1.45951688    
 H    1.44493437       3.35921860      -2.94982100    
 O   -1.97788644      -2.88432980       1.96642458    
 H   -1.87816417      -2.00244498       2.36017489    
 H   -2.59990954      -2.77538252       1.23680973    
 O    1.27413964       3.49040461       4.76202059    
 H    1.36359167       3.91647553       5.61071777    
 H    1.68834066       2.61296010       4.84548473    
 O   0.260500491      -3.10404158      0.227281094    
 H   0.890084147      -3.67379522      0.691659272    
 H  -0.508125484      -3.02117538      0.805540383    
 O   0.604041696       3.60878682      0.172344640    
 H   0.661048055       2.71894383      0.549961329    
 H    1.10373032       4.16072941      0.791721463    
 O    1.75329602     -0.804883540       2.50292402E-02
 H    1.21593082      -1.60696411      0.102869250    
 H    1.41524446     -0.129826069      0.639644384    
 O   -1.98696661       3.10842776       1.21964800    
 H   -2.18403673       2.26968002      0.783126771    
 H   -1.22845042       3.47933984      0.750734270    
 O    3.11612034      -1.71689606       2.34733152    
 H    2.33981919      -1.57461047       2.91179442    
 H    2.84888220      -1.44464827       1.46095288    
 O    2.17772794       4.55534649       2.22059345    
 H    2.86061835       3.89197898       2.04465294    
 H    1.84774959       4.34264851       3.10127282    
 O  -0.232344553      -3.98125005       3.84145999    
 H  -0.637944341      -4.58173800       4.46251631    
 H  -0.923885107      -3.72819614       3.20832562    
 O    1.96558952      -4.36007500       1.99094045    
 H    2.55321074      -3.61746502       2.17629123    
 H    1.31418633      -4.36811066       2.70365667    
 O   -1.48578084     -0.320585757       2.74282551    
 H   -1.42844748      0.506952465       3.24154329    
 H   -1.62485802      -5.47675602E-02   1.82181787    
 O    1.06490946       1.25988257       1.64123988    
 H   0.456155062       1.50940752       2.34550667    
 H    1.93489027       1.63699746       1.83850956    
 O   0.853455782      -1.34405184       3.92430758    
 H   0.561923623      -2.24544525       4.10597992    
 H   0.112216592     -0.920415938       3.46965313    
 O    3.49900174       1.28353643     -0.869385362    
 H    2.90376711       1.78706121      -1.43754709    
 H    3.04993057      0.445527881     -0.703081071    
 O  -0.879971802       2.17478514       3.55235958    
 H  -0.275905639       2.76551843       4.01537943    
 H   -1.32305813       2.66371465       2.84075093    
          69
 Energy    -248.75003873690210     
  O     12.78172871      8.21032532     -9.92980231
  H     12.05254023      8.02350938     -9.34532337
  H     14.76386668      7.68946281    -16.83936007
  O     16.98448274      4.86117596    -13.37098700
  H     13.32351274      7.40059231     -9.97677848
  H     16.13888198     10.04855436    -15.19951192
  O     14.28694561     11.93041620    -11.84026881
  H     17.72111789      5.32158228    -12.95778170
  H     16.02191865     11.51436787    -14.71619336
  O     16.74717355     12.48937101    -13.26177554
  H     17.11836283      4.89667128    -14.32887685
  H     14.95767996      8.39143939    -12.47630228
  O     11.23028964      7.03117643    -16.03868176
  H     13.70955551     11.64505045    -12.55894572
  H     16.17863109      7.78384534    -11.71886911
  O     16.99365886      7.01343482    -10.21613989
  H     15.08468060     12.25791856    -12.27125373
  H     14.34486692      5.48598200    -10.99462302
  O     13.28009048      6.27256670    -14.35129591
  H     17.17948977     11.79682835    -12.73308240
  H     15.31019229      6.27713824    -10.08412289
  O     13.05500537     10.75690070    -14.12359708
  H     17.32535258     13.24769622    -13.24970369
  H     19.19582908      7.10648267    -12.50872570
  O     14.18860902      9.35618007    -17.27372446
  H     11.90089193      6.67710376    -15.43309157
  H     19.92490333      5.90146713    -11.87037628
  O     17.11203819      5.01678022    -16.14869428
  H     11.09413808      6.35543971    -16.69879853
  H     14.33858900      3.50167274    -12.51652453
  O     16.95256712      8.43551123    -14.97285463
  H     17.19824216      7.84865957     -9.77539025
  H     15.38994821      4.58735362    -12.84364442
  O     15.09798606      6.88372140    -16.41946657
  H     17.77553962      6.73236228    -10.70952104
  H     17.01177461      9.74598109    -12.09587077
  O     15.60324286     10.85179382    -15.27819714
  H     13.20034404      7.04136653    -13.76528643
  H     17.75585621     10.27159559    -10.86336972
  O     15.92111212      8.35258314    -12.45374501
  H     13.62552785      5.55667643    -13.80513568
  H     18.62470445      8.52462918    -14.14192387
  O     14.37837563      6.05393576    -10.21559928
  H     13.93209403     10.78519430    -14.53505113
  H     18.93715365      9.30554361    -12.85690837
  O     19.06561263      6.30036338    -11.97928057
  H     12.43435295     10.51066445    -14.82030491
  H     16.36113819      9.87140976     -9.28312080
  O     14.46176791      4.44526520    -12.57870925
  H     13.26521489      9.52109395    -17.05031697
  H     17.53277701      9.92567098     -8.27092751
  O     17.70313407     10.36985558    -11.82105641
  H     14.69747747      9.99742248    -16.76151447
  H     14.04779048      9.60855706     -9.67172612
  O     19.26729748      8.59518547    -13.42142547
  H     17.72983673      5.07925465    -16.87296753
  H     14.56642151     10.88543048    -10.38008837
  O     17.29506008      9.62103830     -9.14177715
  H     16.38110716      5.61523907    -16.37176950
  H     10.75498934     10.10513441    -16.71633515
  O     14.74774614     10.27018141     -9.65438337
  H     16.59939902      8.30345280    -14.07779548
  H     11.35133482      8.78929808    -16.16623548
  O     11.51039562      9.74420549    -16.25926150
  H     16.44513715      7.84768463    -15.54397509
  H     13.03575073      9.28511680    -13.09744528
  O     13.15384062      8.42019764    -12.68170198
  H     14.47621857      6.65268073    -15.71612666
  H     12.87174062      8.45933402    -11.75991167
          69
 Energy    -248.74976035289671     
  O     14.08256434      8.41059714     -9.65364930
  H     14.76497570      9.10758270     -9.66258622
  H     16.98128325      8.05278053    -16.67040783
  O     15.25394222     12.52910872    -11.70689730
  H     13.68296627      8.42103225     -8.78881666
  H     15.21359979     10.48844314    -15.72745927
  O     17.08923748     11.90699422    -13.81278718
  H     14.48652206     12.34555238    -12.27277519
  H     14.36628338     11.50013784    -14.89408539
  O     11.69368370      8.26137513    -13.99501748
  H     15.12952795     13.41008441    -11.35999596
  H     15.86839179      7.51315346    -12.62857356
  O     17.86226941      6.56900592    -11.02071462
  H     16.55333961     12.20154537    -13.06664210
  H     16.81970951      8.66473213    -13.11883157
  O     13.11073279      5.82258672    -13.15946156
  H     16.48675821     11.86237794    -14.56500883
  H     14.40219638      6.07268878    -11.91523531
  O     13.21538672     11.68108398    -13.38712125
  H     11.21687792      9.05980759    -14.24933692
  H     14.73659036      6.94675890    -10.67330885
  O     12.54843183     10.41623418    -16.96359137
  H     12.34724822      8.55840200    -13.34320522
  H     19.47025939      4.76751246    -13.48303503
  O     16.75354259      5.34175495    -15.48267842
  H     18.21800683      6.14518232    -11.81193439
  H     19.12224321      6.21663004    -13.89957839
  O     15.55538391      8.70892954    -15.87225199
  H     16.92463037      6.33411514    -10.99401085
  H     18.53796644      9.58729258    -12.17881159
  O     14.07357569      5.09370876    -15.74948502
  H     13.43562130      5.50038256    -14.00988514
  H     18.01951407     10.46378583    -13.37808702
  O     17.75724268      7.56252734    -16.99265292
  H     12.45213165      6.49184355    -13.37244337
  H     19.03481824      7.70159089    -15.58816474
  O     14.93851463     11.41621697    -15.66916532
  H     13.33575921     10.82924767    -12.93531078
  H     19.21745427      8.41126590    -14.22452147
  O     15.94821874      8.26278806    -13.23037101
  H     12.36298662     11.61595544    -13.83230514
  H     19.19239987      9.14016872     -9.75779341
  O     15.11996725      6.34570168    -11.32436295
  H     13.38666607     10.83827991    -16.73656913
  H     18.26885787      8.18995699    -10.55813524
  O     18.78167830      5.42649816    -13.44119346
  H     12.71287490      9.46475679    -16.97929310
  H     12.54658094      7.83263204    -15.55244185
  O     18.38510104      9.60057406    -13.13124191
  H     17.34611456      5.28567374    -14.72448654
  H     13.34080169      6.73193605    -16.29320996
  O     19.52263658      7.66206835    -14.75674993
  H     17.13966829      6.00243590    -16.07073519
  H     15.77439900     11.06918709    -10.52288711
  O     18.46373885      9.12728578    -10.37264236
  H     14.69608864      8.33715830    -16.11117208
  H     16.83114867     10.01388303    -10.07655997
  O     13.05345041      7.65183774    -16.35833194
  H     15.71112111      8.47855576    -14.94310415
  H     11.41928017     10.77071802    -15.67469438
  O     15.93816576     10.34222957     -9.91155511
  H     13.90709414      4.23312690    -16.12544652
  H     10.07289151     11.29694216    -15.12543019
  O     10.89978328     10.90293124    -14.86096593
  H     15.03831829      5.16655536    -15.63837209
  H     14.43078423      8.95988507    -12.62677220
  O     13.58322462      9.25386211    -12.26021254
  H     17.86243506      7.78729609    -17.91327143
  H     13.58090377      8.99941575    -11.33064650
          69
 Energy    -248.74951644252928     
  O     16.53484668     11.14971146    -14.57707128
  H     15.67583663     11.45292675    -14.88953721
  H     15.68586911      4.61625909    -15.28596704
  O     15.13782967      5.23925150    -16.85091537
  H     16.41335614     10.98049026    -13.63235201
  H     13.37257052      9.00941040    -10.13532428
  O     12.41584499      7.33198498    -12.59972412
  H     15.40665038      6.10867288    -17.17151846
  H     12.87707329      7.75873506    -10.88360812
  O     14.93852486      6.04987436     -9.36001532
  H     14.18445325      5.27213840    -16.70557945
  H     15.48056936      7.78627035    -13.69271799
  O     12.39291221      5.04076317    -15.94492968
  H     11.67520144      7.82580758    -12.96890736
  H     15.02963142      9.12168556    -13.07601093
  O     13.78274705     11.64872834    -15.42532426
  H     13.22647405      7.72639148    -12.96188686
  H     17.24799116      9.63062397    -15.32521651
  O     15.98999449      7.84520926    -17.67063572
  H     14.35311695      6.79524944     -9.58430177
  H     17.52503508      8.14513779    -14.96274406
  O     17.23484853      6.14606571    -10.94534928
  H     14.93577206      5.97832048     -8.40902671
  H      9.56723861      8.97850805    -13.90985583
  O     13.94705514      9.02850282    -16.18957393
  H     11.91367239      4.26915472    -16.23916768
  H     10.79214295      8.53018231    -14.74423297
  O     14.37769687      3.80291009    -11.04254059
  H     12.62063269      4.88299826    -15.01372028
  H     12.80851066     11.29721449    -13.83442076
  O     17.06629995      3.54406410    -12.08899127
  H     13.53153839     12.24380523    -16.12755327
  H     11.67072306     10.35941571    -13.36350971
  O     15.77941275      4.44999737    -14.33608255
  H     13.80440174     10.75578707    -15.80993643
  H     12.85536923      5.65946792    -13.03383309
  O     13.29368638      8.05200298    -10.06116456
  H     16.39414027      8.00192520    -18.51939073
  H     13.46967034      4.33715439    -12.50421347
  O     14.72253260      8.37965870    -13.61399609
  H     16.61293872      8.17643595    -16.99612699
  H     11.71799754      6.80482598    -16.09093568
  O     17.53152252      8.77950864    -15.69013791
  H     17.33414969      5.23764049    -11.25583436
  H     12.31533447      8.21628748    -16.25265711
  O     10.51995762      8.94891571    -13.90729481
  H     16.44153127      6.15277250    -10.39019942
  H     13.20145424     11.58932396    -10.09008547
  O     12.31853914     11.00488638    -13.05628040
  H     14.23636842      8.79507968    -15.29331373
  H     13.02463745     10.92684085    -11.47692185
  O     13.18081672      4.78995259    -13.30962045
  H     14.60199689      8.66798402    -16.79972455
  H     17.16091688      6.73080880    -12.73083424
  O     11.48425757      7.74036961    -16.11278606
  H     14.46843653      4.53168644    -10.41527421
  H     16.66175617      6.01020578    -14.00252127
  O     13.48160014     10.84757546    -10.61933253
  H     15.27847366      3.55785672    -11.28434572
  H     15.15400259     10.57294228    -11.39879665
  O     17.01906965      6.84804948    -13.67799409
  H     17.63162676      2.78974858    -12.23390964
  H     16.54044914      9.84793440    -11.45923933
  O     15.87805701     10.31969841    -11.98338095
  H     16.68337867      3.77529763    -12.95294042
  H     17.70834289      7.90124394    -10.66812329
  O     17.81758649      8.86270421    -10.62937402
  H     14.90038300      4.57937686    -13.95307143
  H     18.75962748      9.01869695    -10.65153001
          69
 Energy    -248.74935407494945     
  O     16.42009838     12.95930674    -16.41647010
  H     16.35657630     13.70695407    -17.00431930
  H     15.57208752      6.59239796    -17.03515079
  O     15.85556793      7.03696915    -13.22369709
  H     15.53343640     12.82894841    -16.03396042
  H     16.34628845      8.82401359    -17.75059577
  O     18.21589693     12.45046818    -14.23863417
  H     15.10441796      6.53861477    -13.56017725
  H     16.97078669      7.52684915    -18.30128986
  O     18.62779461      6.81677498    -17.97030854
  H     15.64249414      7.33368364    -12.32382770
  H     14.77953040      9.61606676    -14.83818792
  O     13.45948296      8.65694346    -18.25288992
  H     17.68451249     12.70678898    -15.00106957
  H     15.70268317      8.64552901    -14.02413895
  O     17.50006698      9.83979400    -10.48775602
  H     17.58303782     12.18704461    -13.55664306
  H     13.18675797     10.52367023    -12.08604261
  O     11.97882563      8.03993704    -13.99221645
  H     18.99940007      7.48652095    -17.38038863
  H     12.67017653      9.13479040    -12.53088326
  O     13.75972942     12.34299059    -12.50250478
  H     18.50963385      6.03204779    -17.42210542
  H     19.08943225      8.02499852    -12.76961027
  O     18.01535373      4.82593318    -15.96976939
  H     14.38217654      8.37248683    -18.35263382
  H     19.66927669      9.45237705    -12.84927608
  O     15.22854924      8.12536899    -10.84296910
  H     13.07514137      8.61059712    -19.12443193
  H     13.26201710      9.42168304    -16.65324794
  O     13.59130797      5.82696756    -14.47737690
  H     18.15900411      9.43269859    -11.07932711
  H     12.66625707      9.24497572    -15.22079550
  O     15.39272883      5.84720369    -16.44913415
  H     17.94005157     10.00171675     -9.65780564
  H     19.68319850      9.40755556    -15.44130648
  O     16.12682116      7.98406332    -18.17968997
  H     12.51951827      7.25070366    -14.15632064
  H     18.42162596      9.33933860    -16.32248033
  O     15.64548793      9.52592521    -14.41626624
  H     11.07510161      7.74260185    -13.91425882
  H     18.61371405      7.53028273    -14.78592363
  O     13.07795371      9.61016452    -11.79855705
  H     13.60515695     13.03101163    -11.85985499
  H     17.53048156      6.90383085    -13.82566342
  O     19.27761695      8.81083557    -12.24336952
  H     14.69494210     12.08632083    -12.41902752
  H     19.54801978     11.33621249    -14.21948487
  O     13.22934955      9.80756434    -15.76554573
  H     18.45404034      4.00536925    -15.76168464
  H     21.08134338     11.14148896    -14.15220792
  O     19.16250024      8.81068677    -15.99199815
  H     18.24325078      5.45233444    -15.26162448
  H     16.80043741     11.16729953    -16.79907311
  O     18.44446123      6.82639683    -14.14180798
  H     15.95050757      8.71592394    -10.59969436
  H     16.50902292      9.95854882    -15.88238733
  O     20.25481993     10.66704065    -14.17756422
  H     14.46942763      8.68153713    -11.07564378
  H     16.09097637     10.71227999    -13.15718108
  O     16.90170866     10.21173786    -16.73330835
  H     13.38174544      4.91215803    -14.30688782
  H     16.70572102     10.91866048    -11.73853589
  O     16.30914793     11.38056319    -12.48753103
  H     14.17974583      5.83882198    -15.25573664
  H     13.82930601     12.54021732    -14.39031202
  O     13.97772767     12.46969802    -15.34085897
  H     16.24016773      5.40814205    -16.30762789
  H     13.62009211     11.60734570    -15.59300537
          69
 Energy    -248.74927672047630     
  O      0.87079669     -0.77576726      4.37500999
  H      0.09268864     -0.68829608      4.95421384
  H     -2.26682201      4.92315859      0.61879930
  O     -3.19039969     -1.58537320     -2.66963098
  H      1.58211664     -1.09969965      4.92204340
  H      0.54838276      2.27092234      0.57356537
  O     -1.29095333     -0.29198500      5.93236081
  H     -2.45771677     -1.07554213     -2.29844830
  H      0.27984245      2.66201901      2.03818401
  O     -5.70993556     -0.79248407     -2.01728084
  H     -3.08343614     -2.48188108     -2.32967001
  H     -2.87353075      2.45314537      0.30466831
  O     -3.05597222     -4.08770477     -1.23925070
  H     -1.58270383      0.62638736      5.89633514
  H     -3.85241951      1.22194364      0.17935845
  O     -1.27424929     -2.60077322      0.34867085
  H     -2.07315009     -0.84938954      5.83768123
  H     -2.31818763      0.89395344      1.66213666
  O     -3.26846450      3.66719063      3.72183128
  H     -4.80617273     -1.01480459     -2.30483606
  H     -1.39793964      1.02355999      2.90974315
  O     -5.82694480     -0.85920059      4.48523515
  H     -6.21855065     -0.63536241     -2.80823339
  H     -5.73261259     -2.46614179     -1.01596256
  O      0.14763384      1.84498293      3.64855425
  H     -3.94882697     -3.85122417     -0.92895637
  H     -5.53726714     -2.89473721      0.45010351
  O     -1.25020990     -0.23150531     -1.16989383
  H     -3.11016449     -4.97655964     -1.57949230
  H      0.28453260     -1.90776931      1.25030909
  O     -4.82250657      1.43164098      3.11359909
  H     -1.79503216     -3.23177339     -0.16350366
  H      0.87656285     -1.21885449      2.51180813
  O     -2.28398224      4.06637275      1.03705467
  H     -1.28464864     -1.77584226     -0.15894063
  H     -2.27914134      2.98286172      4.98648688
  O      0.17503917      2.96756244      1.12536464
  H     -2.92382445      3.88193180      2.84700462
  H     -1.67225093      3.13389310      6.39821361
  O     -2.94038624      1.52215025      0.05881652
  H     -3.98725687      3.03788341      3.57069187
  H      1.21153599      0.00191006      0.43093806
  O     -2.18848501      0.59059164      2.57102723
  H     -5.05604208     -1.22371321      4.93669556
  H      2.10846349      0.65064597     -0.64973057
  O     -5.50461894     -3.22071736     -0.46025903
  H     -5.56449423      0.01910269      4.17804912
  H     -3.06157355     -2.23221957      4.43810562
  O      0.97222273     -1.30352519      1.55619941
  H      0.55450987      1.00764442      3.90492623
  H     -3.44082719     -2.98964412      5.73130649
  O     -1.69279521      2.55862787      5.63775102
  H     -0.35559935      2.16854202      4.40769394
  H     -2.11925749     -2.42925137      1.94350177
  O      1.24420630      0.69894705     -0.24947584
  H     -0.36017954      0.10630211     -1.01727346
  H     -2.40535557     -1.14023330      2.73704015
  O     -3.37020185     -2.11602009      5.35318264
  H     -1.85924490      0.42694785     -0.80200180
  H     -5.66584244     -1.67548982      2.85143997
  O     -2.57179708     -2.09651824      2.72854681
  H     -3.90579490      1.12454866      3.03769637
  H     -4.33409799     -2.08145424      2.19002298
  O     -5.27647641     -1.96011619      2.01295833
  H     -5.22355312      1.26961427      2.25111180
  H     -5.37955145     -0.41748603      1.03566037
  O     -5.42368196      0.39654833      0.51209622
  H     -1.36642592      3.73511534      1.03927488
  H     -5.63456867      0.11221483     -0.38664417
          69
 Energy    -248.74852411876668     
  O     15.81390092     10.33660949    -10.12140913
  H     16.22936359     11.20858587    -10.13217315
  H     10.01526440      4.29850253    -11.90019293
  O     17.21000178     11.97243730    -14.82748630
  H     16.20067266      9.85414439    -10.86655512
  H     11.42435225      9.99299387    -10.32748389
  O     11.00888084     11.22504379    -14.32015136
  H     17.69948120     11.61312849    -14.06552103
  H     10.79877963      8.60022173    -10.03885718
  O      9.28668406      9.64266662    -12.65787809
  H     17.86040898     12.29564950    -15.44508078
  H     13.73211511      7.12709576    -11.08422220
  O     13.41123198     11.93678846    -13.24440818
  H     11.35856431     10.65847196    -15.01795839
  H     14.77084411      6.79854671     -9.97839977
  O     14.94436218     10.34159239    -15.02401259
  H     10.39154302     10.69334255    -13.80374253
  H     10.87754256      6.23153906    -10.36113462
  O     17.10477897     12.74632763    -10.63583385
  H      8.37126277      9.86738129    -12.51804228
  H     12.21052603      6.67589331     -9.75871897
  O     17.18180763      8.61177959    -11.87817497
  H      9.71336051      9.63642649    -11.78018405
  H     16.20823823     13.11606476    -13.60163739
  O     13.14950426      4.63841865    -12.40415301
  H     12.50708480     11.84404980    -13.58014196
  H     14.82247865     13.08919036    -12.93190111
  O     18.39805868     11.03834868    -12.57901437
  H     13.95770663     11.36062400    -13.79512134
  H     12.55956980     10.27927811    -17.20629388
  O     13.19549371      8.32057217    -12.32511830
  H     15.74418552     10.88140600    -15.05621329
  H     13.43124690     10.05813178    -15.95186702
  O     10.52496629      5.10362378    -11.91061131
  H     15.18747980      9.47347303    -14.67278234
  H     16.04642643      8.68005156     -9.32968514
  O     10.59282254      9.50255723    -10.32346997
  H     16.57414370     13.06878312    -11.38742989
  H     16.68356178      7.60402620     -8.42486298
  O     14.00152944      6.45185193    -10.44186592
  H     17.40894352     13.51588294    -10.16306125
  H     14.54773171      4.88643898    -15.57091873
  O     11.26185724      6.85160226     -9.73043097
  H     17.07759157      8.02645538    -11.12128668
  H     13.58356939      6.05469183    -15.24967307
  O     15.71433798     13.45389245    -12.84527202
  H     16.62009098      8.27222158    -12.59074604
  H     12.38797909      7.99484432    -16.03946988
  O     12.57282804      9.84767656    -16.35485898
  H     13.58583282      4.89753800    -13.22353901
  H     11.66797028      7.15110453    -14.97584864
  O     16.25102487      7.73298315     -9.26568600
  H     13.57508529      5.13437352    -11.69053961
  H     10.55328498      6.63840297    -12.91425754
  O     14.32470872      5.52558515    -14.89969065
  H     18.12525505     10.14022096    -12.34644077
  H     10.14612137      8.12568175    -13.20083741
  O     12.28834725      7.09177765    -15.71680631
  H     18.12129086     11.60641120    -11.84996278
  H     14.59613563      8.06791097    -13.29765883
  O     10.77191421      7.42642264    -13.42884154
  H     12.34320471      8.04324283    -12.68389955
  H     15.21688919      7.03313545    -14.25848356
  O     15.38935413      7.87791756    -13.82724775
  H     13.06666526      9.13221653    -11.81874181
  H     13.18504120     11.21218783    -11.60457057
  O     13.11349324     10.65473966    -10.81568973
  H     11.44664144      4.85175543    -12.10436076
  H     14.00266525     10.57870024    -10.44796833
          69
 Energy    -248.74846598785217     
  O     15.30906875      8.97449940    -17.73404946
  H     14.67120147      8.67213203    -17.06497394
  H     15.98022022     12.20518062    -17.56961615
  O     15.48309864      8.64333537    -11.66613189
  H     15.17900211      8.42487463    -18.50314583
  H     12.26867151     13.08252558    -17.07539110
  O     17.94699298     15.01918030    -12.72113186
  H     15.71329348      8.27483298    -12.53015274
  H     13.67425137     12.45004560    -16.91028444
  O     13.65479251      8.27447812    -15.67217381
  H     16.08756880      9.37528674    -11.47991918
  H     18.60451089     13.24740654    -12.66194442
  O     14.01800752      6.44143148    -10.79295962
  H     17.04822324     14.90109569    -12.36611995
  H     18.76182135     11.94955742    -13.49179484
  O     14.62570385      5.05464068    -13.05174481
  H     18.32957193     15.75799193    -12.25481609
  H     17.13540147      8.19848747    -15.25273672
  O     15.78773365     11.49513391    -13.95055376
  H     13.10255294      7.61261737    -15.23099700
  H     16.88912595      8.80472715    -16.64204605
  O     13.17739465     10.16481453    -11.82208427
  H     13.42837315      9.13526844    -15.29219626
  H     13.03958198      5.87418539    -13.78825714
  O     15.83982967      7.38208448    -14.12453629
  H     14.61908794      7.19040482    -10.92140046
  H     12.02229095      6.91288041    -13.27931860
  O     18.25417613     11.26589313    -15.18568078
  H     13.13275991      6.80310764    -10.91922260
  H     13.86822144     11.63822740    -10.91091768
  O     13.24316749     10.74138767    -14.52550300
  H     14.85138892      4.14149453    -12.89797886
  H     14.01655065     12.39095116     -9.57565975
  O     15.10145229     11.81089095    -17.62311480
  H     14.43703292      5.44936843    -12.18144078
  H     16.16394357     14.70975181    -15.22586497
  O     12.89350334     12.77754936    -16.42422361
  H     16.05625264     11.34464504    -13.03682228
  H     17.53012117     14.99078740    -14.59124645
  O     18.79448152     12.30368668    -12.59250064
  H     16.59177847     11.41008779    -14.47937134
  H     17.55261105     11.49280975    -11.64292219
  O     17.54692967      8.73860916    -15.93958405
  H     13.06575039     10.40911334    -12.75237819
  H     16.17465160     11.62660992    -10.87962175
  O     12.34663078      6.48068064    -14.07858412
  H     13.97853028      9.61913313    -11.76379405
  H     13.92434848     13.73359256    -15.15535196
  O     14.36546300     12.33997146    -10.46310592
  H     15.10753943      7.71494545    -14.66248097
  H     15.07019769     13.13903186    -14.30701980
  O     17.09024137     14.88393567    -15.44283984
  H     15.57544592      6.50176888    -13.82902815
  H     12.07266039      8.70882929    -11.64587031
  O     16.76749104     11.01615793    -11.32970370
  H     18.13218625     10.34370375    -15.46053349
  H     10.77250184      7.98310737    -11.23958463
  O     14.61423495     13.96737238    -14.52517175
  H     18.18210471     11.81996991    -15.97180425
  H     14.98028534     13.90390937    -11.38583648
  O     11.63746165      7.84230639    -11.61727689
  H     14.18183878     10.93917258    -14.36673434
  H     14.95290419     14.52543125    -12.79477072
  O     15.36587676     14.60470785    -11.92286461
  H     12.92724937     11.41236441    -15.14178767
  H     18.22085688     13.38338282    -17.99598940
  O     17.66378977     13.02480134    -17.31043405
  H     15.22190375     10.85712633    -17.70596325
  H     17.49815389     13.74608367    -16.67579902
          69
 Energy    -248.74846237182177     
  O     13.13305461      9.87887482    -15.58675794
  H     12.51859261      9.76594996    -14.83858050
  H     11.35070042      5.26310765     -9.64407708
  O     12.39023749      8.80782175     -9.18701808
  H     12.62074310     10.22877845    -16.31039083
  H     14.93656380      7.12545552    -11.94516898
  O     16.04884400      5.81074628    -11.33138675
  H     12.03504095      7.92186645     -9.33370587
  H     14.52288992      8.63001510    -12.11131111
  O     14.35887845      1.72208689    -11.25586820
  H     13.25019561      8.68604492     -8.76729354
  H     11.64243944     10.01653109    -12.65192649
  O     14.98793958      8.26228840     -8.08399342
  H     15.76650657      5.12408305    -11.95574899
  H     11.38942641      8.59297409    -13.17592918
  O     12.11696192     10.79425646    -10.98971434
  H     16.83181380      6.25730682    -11.67159243
  H     17.76535052      8.01130892    -13.07566503
  O     14.89964724      3.91108767    -12.91970709
  H     14.70790834      0.85744680    -11.05820468
  H     18.97342083      7.61234944    -12.20431210
  O     11.64145603      2.46122253    -11.93091154
  H     14.16999884      2.15097280    -10.40166019
  H     14.67600785     10.65906206    -14.77452976
  O     14.80969107     10.39064829    -11.65218101
  H     15.31079569      8.58548797     -7.24699533
  H     16.13716311     10.28151675    -14.45025962
  O     13.65197567      3.00867360     -8.96946972
  H     15.62390306      8.55382815     -8.76132127
  H     14.67321345      6.50097757     -8.59598211
  O     10.86840803      3.47101040     -9.54253772
  H     12.16091188     10.08113368    -10.32621321
  H     15.09231926      5.67655836     -9.83487098
  O     11.80069114      6.10703307     -9.77171557
  H     11.64181037     11.51569919    -10.58653668
  H     17.16652408      8.62253189    -10.70990780
  O     14.37440145      7.73426085    -12.43928663
  H     13.98205020      4.16477687    -13.09451352
  H     16.05787886      9.68407298    -10.57551159
  O     11.50348746      9.50951066    -13.46100493
  H     14.84730819      3.09224366    -12.40948041
  H     17.76134146      8.64434969    -15.53542858
  O     18.01892515      7.63769053    -12.21783609
  H     11.74177831      3.11664598    -12.63627534
  H     16.39560769      8.21057546    -14.95803438
  O     15.44958614     10.92944772    -14.26198782
  H     12.51384775      2.07103280    -11.80346264
  H     12.67337017      7.23199848    -12.45282388
  O     14.48883082      5.68552627     -9.07743556
  H     13.91117349     10.66709361    -11.43550031
  H     11.60838687      6.62267198    -11.52731119
  O     16.64145103      9.10307926    -10.06330241
  H     15.02731041     10.71682214    -12.53770341
  H     14.59123998      7.60416474    -14.18126175
  O     17.24490948      8.62815240    -14.73275243
  H     14.01462907      3.90022462     -8.87806724
  H     14.15478713      8.32845771    -15.47225509
  O     11.75741164      6.91257150    -12.43693126
  H     12.69348075      3.11551142     -9.00515858
  H     14.45895794      5.82572971    -15.55588277
  O     14.73603852      7.63202171    -15.14101485
  H     10.07574204      3.03970842     -9.23605830
  H     14.79231945      4.46587584    -14.91338448
  O     14.26165639      4.88043853    -15.60355131
  H     11.06698651      3.10221172    -10.42270058
  H     12.72414424      4.64581593    -14.55148916
  O     12.24148657      4.49634752    -13.72726698
  H     12.73533880      5.94427359     -9.57748729
  H     11.98245302      5.35688147    -13.37049137
          69
 Energy    -248.74811973969327     
  O      2.27483166     -0.83132246      4.71286249
  H      2.16006556      0.12546158      4.79613437
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  H      2.12677962     -1.04918754      3.78480107
  H     -2.35600791      2.51787387      1.96397799
  O     -2.84457791     -3.51372052      5.94666727
  H      3.56148028      3.26104643      7.53114112
  H     -2.11945308      1.18568807      2.71686399
  O     -1.49119839     -1.72943370      9.61784864
  H      2.91643921      1.93708916      7.99262302
  H     -1.31232778      2.44063998      4.34612270
  O      1.58074408     -4.88666923      5.04040634
  H     -1.99236755     -3.79393328      6.31026285
  H     -1.56346535      1.59297284      5.61091358
  O      0.30825283     -3.47618029      3.12965025
  H     -3.21696713     -2.90388963      6.59313738
  H      0.88685791      3.04558321      7.69324444
  O      3.32834292     -2.94061583      6.21549630
  H     -0.96128187     -0.94120593      9.43375443
  H     -0.47107437      2.91244782      6.97066677
  O      2.80329679      0.58646460      9.24075299
  H     -0.85812400     -2.45386487      9.68005061
  H      0.05844159      1.64009820      2.20869724
  O      2.78548736     -2.31633736      8.83253288
  H      1.14299601     -4.39459151      4.32115378
  H      1.35669242      1.67464359      3.03971521
  O      0.59273102     -3.70237350      9.54843830
  H      1.80944286     -5.74231692      4.68827829
  H     -0.05755908     -2.20329779      6.54234075
  O     -2.74803101     -0.31129735      3.29140552
  H      0.68503659     -2.71624218      2.67058128
  H      0.80654307     -1.17589966      5.75083034
  O      1.63099586     -1.24576942      1.98610858
  H     -0.64740101     -3.34344936      3.15287216
  H     -3.09428282     -3.72840252      2.83065247
  O     -1.73518895      2.06141345      2.52481821
  H      3.09870437     -2.16402790      5.68679914
  H     -2.66363092     -3.26977780      4.24165570
  O     -1.05769912      2.34709546      5.27156724
  H      2.83783388     -3.67154561      5.82196905
  H     -0.04472578      1.20144327      8.42291511
  O     -0.05607300      2.91290376      7.84406857
  H      1.84724517      0.44178102      9.11668850
  H      0.17269974     -0.24290264      7.84845205
  O      0.98735949      1.37581441      2.19896862
  H      2.94139624      0.70382787     10.17821530
  H     -2.88983443     -1.67662368      8.57461276
  O      0.05904815     -1.26364441      6.35441520
  H      2.94956009     -1.37387059      8.91909333
  H     -4.42419193     -1.53861491      8.45354845
  O     -2.49967309     -3.14066396      3.28975904
  H      3.04203819     -2.55916425      7.92876616
  H      0.38159453     -4.40538487      6.34873112
  O      0.17749840      0.28910210      8.65831463
  H      1.39518186     -3.19211546      9.33251384
  H      0.02487653     -4.02053564      7.82669997
  O     -3.62359853     -1.59555068      7.93927081
  H      0.83876441     -4.32746721     10.22458375
  H      0.74299713      2.00536064      5.07958722
  O     -0.28699784     -3.99596071      6.91321513
  H     -2.66137544     -1.25904748      3.14248752
  H      2.15496683      2.19456439      5.69301606
  O      1.68728950      1.86756866      4.91572532
  H     -2.72425827     -0.20346289      4.25279031
  H     -1.49640422     -0.47078993      6.05790669
  O     -2.33311473      0.02038843      6.02981004
  H      1.34787346     -0.31437744      1.98555885
  H     -2.90375920     -0.39357780      6.68624623
          69
 Energy    -248.74797372330960     
  O     12.98918106      9.28522132    -16.11445677
  H     12.82231800      9.17690149    -15.16141356
  H     16.77224258      4.42289114    -15.73983888
  O     16.76208344      5.82522364    -13.02027865
  H     12.16160327      9.54153194    -16.51315127
  H     21.45434752      6.69580552    -13.18337590
  O     20.49243124     10.03517240    -12.82737604
  H     16.69439392      6.59579777    -13.60615391
  H     20.04199154      7.03311490    -12.65882822
  O     19.44288012      9.81611347    -17.07484769
  H     16.69626668      5.04640266    -13.58418096
  H     16.25563783     10.17263758    -17.26673827
  O     14.00639050      5.45695836    -15.25158096
  H     20.68608148      9.11768134    -13.05014257
  H     17.63248720      9.60943879    -17.68846446
  O     16.25023806      9.77415148     -9.20285530
  H     19.81206241      9.99747106    -12.14137012
  H     17.60441138      7.84662786    -15.05909699
  O     14.69905879      6.62471700    -11.38829326
  H     20.07628837     10.30866031    -17.58918121
  H     16.08995286      7.88871258    -15.40555308
  O     16.36677002     10.37261263    -13.44080869
  H     19.24007160     10.35247986    -16.28580605
  H     12.48154502      7.95728956    -13.29717421
  O     17.28802304      5.58208291    -16.92927332
  H     14.73082171      4.82623539    -15.15976059
  H     13.17116552      9.23255816    -12.76392717
  O     16.61240580      7.08327856     -9.36075229
  H     14.30082958      6.10552797    -15.90116210
  H     13.02194140      5.84202699    -13.86972332
  O     19.17385826      7.36355748    -15.79763402
  H     16.21152380     10.11384593     -8.31318543
  H     11.74961875      5.52189942    -13.04714531
  O     16.38907921      3.89391314    -15.01632475
  H     16.37004776      8.80946535     -9.13421182
  H     19.51353013     10.82964998    -14.12369984
  O     20.66332245      7.18876743    -13.38925965
  H     13.87349759      6.37064651    -11.81747103
  H     18.01321787     11.10797992    -14.36771738
  O     16.68502961      9.49993165    -17.81800418
  H     15.40759825      6.27708459    -11.95035153
  H     18.48094803      7.89768774    -11.40340497
  O     16.72349155      7.98967488    -14.68444276
  H     15.66889833     10.18775742    -12.79748088
  H     18.05044763      6.49933702    -11.96464336
  O     12.60939333      8.89839592    -13.47309849
  H     16.51749770      9.53743270    -13.91521966
  H     17.59868306      9.85110106    -10.52346464
  O     12.51525580      6.08929740    -13.07518114
  H     18.02587748      6.13539019    -16.63670312
  H     17.58502199      9.98927342    -12.06087410
  O     18.87435677     11.11555575    -14.79429051
  H     16.57268322      6.18407682    -17.15843360
  H     14.99581482      9.71881205    -10.67457599
  O     18.71778258      6.95824329    -11.43210236
  H     15.87530554      6.80614623     -9.92294456
  H     14.64661748      8.46339559    -11.49108092
  O     18.12879630      9.70279791    -11.31553515
  H     17.41416109      6.87106581     -9.85111786
  H     15.54455988     11.01756668    -15.11286135
  O     14.59034591      9.43081362    -11.50053039
  H     19.39535494      8.17296919    -16.27962322
  H     14.40816539     10.58230099    -16.05253090
  O     15.23994328     11.07165477    -16.02516683
  H     19.76335491      7.29034115    -15.03682808
  H     14.25882544      8.09008530    -16.70235843
  O     15.04980835      7.57341501    -16.91209907
  H     16.56540666      2.97930994    -15.21782659
  H     15.64750488      8.19041601    -17.37018961
          69
 Energy    -248.74778264329086     
  O     13.26302404     12.99839675    -13.17217160
  H     13.92146810     12.71871540    -13.82476275
  H     18.50709334     11.71653281    -16.42916668
  O     19.08286934      9.07700944    -11.87812762
  H     12.73534262     13.66561738    -13.60559598
  H     13.16524263     10.03113578    -16.87749153
  O     15.69429180     10.07864181    -11.50074320
  H     19.12284744      9.11737379    -12.84447718
  H     12.46151988     10.26319933    -15.52479100
  O     14.25788098      7.75064125    -15.05182308
  H     18.79002198      9.94824462    -11.58925397
  H     17.06834306      9.44485397    -14.32983551
  O     14.31659093      5.96489235    -12.94346732
  H     15.85176288      9.87293038    -12.43630538
  H     15.61506864      8.88235774    -14.53821166
  O     18.04526516      6.66039958    -11.26716311
  H     16.41246361     10.66268562    -11.23367036
  H     12.63077117      9.04030052    -10.78038580
  O     15.06249941     11.94138343    -15.08944554
  H     14.36148057      7.03507372    -14.41303073
  H     13.51889663      7.83372108    -10.39358323
  O     17.99556241      7.00428649    -16.11985648
  H     13.54044310      8.30741371    -14.71152682
  H     19.10851939     10.01941120    -15.13509236
  O     15.37220567      7.43343269    -10.80317424
  H     13.35637900      6.01902854    -12.86721758
  H     18.73469332      8.49467052    -15.26254207
  O     17.00891642     11.61599675    -17.22595083
  H     14.67048495      6.46215165    -12.19012906
  H     16.72798752     12.68531550    -14.19887978
  O     17.02838256      5.89693392    -13.82609101
  H     18.68383864      6.17379398    -10.75289888
  H     18.23157837     12.44756822    -14.43347390
  O     19.28879791     11.71392043    -15.84466699
  H     18.43436199      7.53693494    -11.44000005
  H     18.27717725     12.36281458    -10.68672865
  O     12.90972663     10.71789679    -16.25009975
  H     15.47920801     11.14036000    -14.73436637
  H     17.85263526     12.07953332    -12.14576455
  O     16.13410561      9.59124539    -14.13881118
  H     14.27932754     11.63242116    -15.57295117
  H     13.95466172     10.47958674    -11.60304654
  O     12.60135351      8.11494672    -10.50163878
  H     18.48058912      6.32299144    -16.57925496
  H     12.95782811     11.51947017    -12.14565648
  O     18.86684329      9.22353299    -14.64345989
  H     17.61933170      6.58601534    -15.32539956
  H     17.03397237      8.24664799    -17.23888028
  O     17.58635079     12.70717660    -13.76345468
  H     16.26390756      7.06432950    -10.80522933
  H     15.70297128      8.73251689    -17.85947664
  O     17.98039287     11.67068839    -11.27138472
  H     15.49032239      8.37856078    -10.98230301
  H     12.42181539      9.69970243    -13.22136704
  O     13.01221396     10.63015965    -11.76967627
  H     16.88196287     10.68966044    -17.48571602
  H     11.77847541      8.34320583    -13.60040035
  O     16.63942128      8.94808881    -17.76914206
  H     16.26908388     11.84264892    -16.65348244
  H     11.86593260      7.18509424    -11.77162309
  O     12.14365766      9.15529612    -13.97265007
  H     17.45454876      6.12517287    -12.99016094
  H     10.77581485      6.25405653    -12.35525786
  O     11.57486295      6.72303132    -12.57985377
  H     16.11026251      5.70578558    -13.60210614
  H     14.01300774      8.03313388    -16.76808252
  O     13.86450363      8.37452674    -17.66773054
  H     19.98644816     12.16611248    -16.31001459
  H     13.33652686      7.72551437    -18.12597732
          69
 Energy    -248.74692013471076     
  O     -3.20760916      3.01145448      4.20697027
  H     -3.94463449      3.63198627      4.21837984
  H     -2.73405123      2.71718203     -0.92698673
  O      0.08593578      4.83925012      2.99516592
  H     -2.76687108      3.20628993      3.36838158
  H     -5.40346762      2.32258475      1.52627495
  O     -0.98302481     -0.39422506      2.99039995
  H      0.73777866      5.53129334      2.92250260
  H     -6.84786984      2.34969491      2.04090813
  O     -3.31003666     -0.20038885     -2.18507455
  H      0.50620061      4.02253070      2.66690516
  H      1.20343524      1.91904812      3.06510886
  O     -1.13543730     -1.35152564     -1.06528947
  H     -0.36002289     -0.05779778      3.64542566
  H      0.80194575      1.89992949      1.57790347
  O     -4.18250771      1.07593966      1.12328655
  H     -0.75227071      0.03196435      2.15179788
  H     -3.19757280      4.85160834      2.25946159
  O     -7.71313030      0.50778554     -0.56535705
  H     -3.49667047      0.73313360     -2.33048017
  H     -1.62088814      4.74523611      2.26132607
  O     -3.55893216      0.29222351      3.73232291
  H     -4.06574917     -0.54747768     -1.68901323
  H     -5.42450062      4.29592588      2.64123278
  O     -3.93045643      2.62623031     -2.31661171
  H     -0.70362487     -1.88515539     -1.72696771
  H     -5.55596027      5.69220237      3.29276415
  O     -5.31503919     -0.93798750     -0.41261424
  H     -1.89658136     -0.92752754     -1.50155297
  H     -5.20195490     -0.56072795      3.53122898
  O     -4.86950003     -2.96540486      1.49099950
  H     -3.42515562      1.49859098      0.70057951
  H     -5.71830229     -1.70357453      2.64535443
  O     -2.19672557      2.57430029     -0.13740031
  H     -3.91480190      0.74066734      1.98851982
  H     -0.32704865      3.90633152      4.64270404
  O     -6.11307528      2.92626214      1.79609674
  H     -6.96797943     -0.10647829     -0.62571523
  H     -1.56326991      3.14334556      5.13453558
  O      1.17075087      2.46469025      2.26988048
  H     -7.89834234      0.58470088      0.37782530
  H      1.37136253      0.73517421      5.41259989
  O     -2.43519954      4.42421314      1.85033162
  H     -3.49287439      1.20265754      4.04947326
  H      0.28443159      1.75726549      5.00244318
  O     -4.93834518      4.98536573      3.12873172
  H     -2.65740728     -0.01476417      3.56237855
  H     -8.69310902      0.65196135      2.81576129
  O     -6.01155543     -0.95932336      3.18451995
  H     -3.97491433      3.10327336     -3.14082162
  H     -7.23851881      0.16613733      2.63808480
  O     -0.61418688      3.24351099      5.28313938
  H     -4.80716360      2.70965493     -1.89979004
  H     -1.76281984     -1.85011438      2.03943702
  O      0.78568379      0.97899131      4.70095201
  H     -5.25128427     -1.73231964      0.12979782
  H     -1.86931331     -2.10489065      0.52401703
  O     -7.89044467      0.82089879      2.32969516
  H     -4.96126715     -0.21547890      0.13071302
  H     -0.90849601      1.45463940      0.26200697
  O     -2.22287588     -2.38136303      1.37852979
  H     -3.91137488     -2.78882057      1.48721698
  H     -0.41076857      0.02398652     -0.03705816
  O     -0.27799423      0.77693160      0.55150415
  H     -4.97275292     -3.91265918      1.51816854
  H     -6.29732720      3.13742197     -0.15916636
  O     -6.32370032      2.85364221     -1.07881513
  H     -2.30098152      3.32678018      0.46330597
  H     -6.87402830      2.05612819     -1.06618338
          69
 Energy    -248.74685958252593     
  O     11.42215704     10.23586933    -11.74161461
  H     11.57728941      9.82627428    -12.61234278
  H     16.21257295      6.29636861    -13.34212824
  O     10.57955629      4.60609302    -10.09127623
  H     11.04556637     11.09674815    -11.90527246
  H     14.08168770      6.36013905    -12.72547542
  O     17.46947150      5.64173986    -12.22310152
  H     11.32405245      4.14745895    -10.50342190
  H     12.53097666      6.43259947    -12.73840964
  O     15.34428217      3.29414226    -10.42945718
  H     10.04989166      4.97070550    -10.81011835
  H     10.43113142      7.78848732     -9.75991736
  O     16.71436550     10.29766432    -10.41595883
  H     17.02247843      5.72041968    -11.36767750
  H     10.47196119      8.88109033    -10.86734190
  O     11.27917262      6.65415683     -8.45807297
  H     18.10447262      6.37046161    -12.27297800
  H     18.50669283      8.68278766    -12.50281883
  O     14.88192650      9.19437193    -13.59694147
  H     15.69965200      4.11025978    -10.05758719
  H     18.76152413      8.04585732    -11.12145310
  O     18.00924043      8.17601479     -9.33620800
  H     15.84842459      3.12085374    -11.23465000
  H     13.53783721      6.88190976    -10.55104968
  O     14.82728012      4.07557229    -14.87299847
  H     15.75736198     10.18749781    -10.50234063
  H     12.96557013      7.02811959     -9.11523147
  O     12.10009736      3.53185233    -14.10584610
  H     17.04491351     10.40139499    -11.31659500
  H     17.11315965      3.98486902    -12.74395348
  O     12.83826931      3.68380345    -11.46818611
  H     11.02736232      5.86657381     -8.97426263
  H     17.48240648      2.53739994    -13.13685429
  O     15.44468161      6.53393338    -13.87917419
  H     10.98429138      6.50382577     -7.56410488
  H     16.89629809      6.66849624     -9.49295811
  O     13.29661453      6.30699446    -12.16426617
  H     14.60522930      9.27537106    -12.67244447
  H     15.38520226      6.38683089     -9.63258927
  O      9.96504881      8.13198720    -10.53147548
  H     15.09848087      8.26377279    -13.76490755
  H     17.72598888     10.78450699    -13.83660285
  O     18.93018059      7.93376577    -12.06584820
  H     18.52952067      8.45244872     -8.58630299
  H     16.55698092      9.86299782    -13.42909933
  O     13.74651618      7.19649661     -9.65523205
  H     17.52111216      8.96141161     -9.64294243
  H      9.39247275      6.87761620    -11.55809803
  O     16.74231541      3.10644953    -12.93880912
  H     13.91861671      3.81420952    -14.68492882
  H      8.20854875      6.10644515    -12.19135560
  O     16.25898659      5.98762745     -9.74656813
  H     15.39235672      3.59872773    -14.25124153
  H     13.96537093      8.83416922    -10.38693051
  O     17.44999119     10.15098874    -13.17888051
  H     12.32459353      3.44759859    -13.16321554
  H     13.15563364      9.94634081    -11.10403450
  O      9.15849573      6.10712751    -12.10878800
  H     11.62279430      2.74132990    -14.34600717
  H     11.76111296      8.11304638    -14.24114251
  O     14.05071670      9.63738977    -10.91999759
  H     13.64551431      3.38228759    -11.02915198
  H     12.99509983      9.05671038    -14.13319469
  O     12.03152679      9.02588092    -14.08466067
  H     13.00238508      4.61513674    -11.68312898
  H     10.43595300      6.20915876    -13.41748124
  O     11.21712086      6.27202442    -13.98602971
  H     15.21327242      5.74906056    -14.39735821
  H     11.47317692      5.36772833    -14.20664972
          69
 Energy    -248.74685538059157     
  O     14.00166322      3.30201159    -10.97596471
  H     13.95524584      2.33975693    -11.03991961
  H     18.51397695      6.89066520    -13.55310036
  O     12.53883764      4.22981856    -13.15726197
  H     13.44480300      3.65087770    -11.68735402
  H     13.33155317      9.06746829    -10.80544848
  O     16.65512415      3.53435204    -11.80969837
  H     13.23868394      4.72133802    -13.61466539
  H     14.63128521      9.75746697    -10.36316275
  O     19.40416372      6.90771398    -11.80727898
  H     11.83679841      4.86731455    -12.98731260
  H     15.63551144      7.76348605    -12.25571469
  O     12.56055569      7.75952474    -14.50439888
  H     15.72555978      3.47991899    -11.54416472
  H     14.40871499      7.15097230    -11.48606684
  O     13.36096817      1.73202361    -14.17043348
  H     17.04295148      4.22371300    -11.25784891
  H     12.90005269      6.67045635    -10.10378403
  O     14.11101270      0.55642509    -11.65234510
  H     18.72338906      6.46821444    -11.26983915
  H     12.03373841      7.05502995    -11.35224122
  O     18.04093676      9.32811753    -11.04187862
  H     20.23080512      6.47297261    -11.61317259
  H     14.90043970      1.78061101    -15.01922756
  O     16.13700704      9.38415864     -9.13252677
  H     12.98817556      8.59439853    -14.27818648
  H     15.76345464      1.31399119    -16.21363462
  O     14.52844545      5.77205173    -14.25519928
  H     13.26896031      7.11159217    -14.62095326
  H      9.99607034      6.71035488    -12.91332254
  O     16.47888148      9.04662422    -13.27475169
  H     12.93841510      2.56271138    -13.91582362
  H     11.42744391      7.00282823    -13.43108040
  O     17.90142146      6.93428883    -14.29783603
  H     13.47745481      1.23798567    -13.34968934
  H     16.58470096      6.19359229    -10.98697734
  O     13.87802684      9.85414372    -10.95447701
  H     13.98182539     -0.29827435    -11.25095166
  H     17.02773199      6.02930678     -9.52401525
  O     15.27010445      6.95281609    -11.87501922
  H     15.02187949      0.57188232    -11.99745709
  H     16.58655898      3.44502488    -14.96256047
  O     12.72077459      7.36782993    -10.75304471
  H     18.67090083      8.62049151    -11.21526132
  H     16.82440943      4.04756928    -13.56612916
  O     15.80474210      1.77696808    -15.38114944
  H     17.52182630      9.40095471    -11.85769042
  H     16.79520411      1.75903821    -12.35698999
  O     10.91585690      6.51338716    -12.76004898
  H     16.26628619     10.17822622     -8.61889975
  H     16.45662314      1.06783760    -13.68717867
  O     17.29435133      5.83237143    -10.42831102
  H     16.85715072      9.36077866     -9.78904597
  H     13.81192005      4.62276980     -9.63777308
  O     16.83960092      4.25981221    -14.51135874
  H     15.28517278      5.25040456    -14.54659466
  H     14.44449546      5.73795886     -8.75481766
  O     16.58190558      0.89836825    -12.74538733
  H     14.80145020      6.17545007    -13.41710051
  H     16.11889032      6.82406910     -7.18432718
  O     13.61030977      5.39832957     -9.09689831
  H     15.69226627      9.41424893    -13.68996909
  H     15.99209327      7.68783120     -8.45828960
  O     16.00638348      6.77387241     -8.13068611
  H     16.88686629      8.37278768    -13.84121032
  H     13.88509697     10.09564377    -12.69921364
  O     13.90589490     10.12395825    -13.67294525
  H     17.63177268      6.02653296    -14.48142637
  H     13.67197488     11.01301542    -13.92674027
          69
 Energy    -248.74665803340190     
  O     10.79579738      9.76260536    -12.63163730
  H     10.57274273      9.38288110    -13.49065126
  H     19.30947294      8.25622974    -16.69039296
  O     14.24506124      7.23952549    -15.18992255
  H     11.56444911     10.32503146    -12.78284054
  H     15.24418380      8.09170987    -13.95293143
  O     16.27729054     10.17365096     -9.70580842
  H     13.69018531      8.00856258    -15.36775178
  H     15.26307015      8.69759572    -12.50937960
  O     17.18714354     10.53785594    -16.18747905
  H     14.84805538      7.13826634    -15.94115544
  H     10.77346688      8.39998502    -11.50211503
  O     12.86475525      9.62659725    -15.64302680
  H     16.81459353      9.41648618     -9.43950813
  H      9.99050669      7.63110858    -10.41331488
  O     16.06157796      6.04213355    -10.12882380
  H     16.83959715     10.70319373    -10.28414153
  H     18.74389121      8.44921039    -10.78824082
  O     13.84183431      5.44715901    -13.18290267
  H     16.38703449     10.45144305    -16.71988326
  H     18.87878225      8.19301452    -12.30381360
  O     14.18061271      9.26171420    -11.18142241
  H     16.90621413     10.93532712    -15.35275458
  H     11.94095018      5.76058020    -13.43657416
  O     16.62335664      4.89216718    -12.69248911
  H     11.98464827      9.23382044    -15.57212267
  H     10.88524092      6.53143741    -12.61814594
  O     16.16769335     11.25540152    -13.68095834
  H     13.03593697     10.10388063    -14.81797329
  H     18.77957769     11.97945155    -11.40032791
  O     15.96872101      7.37013146    -17.30075589
  H     15.11218349      6.21578962    -10.15764947
  H     18.48115158     10.48677469    -11.66954785
  O     18.50286783      8.16162576    -16.19028999
  H     16.27868795      5.59078152    -10.95315348
  H     18.31325162      7.33931111    -14.51003329
  O     15.79760158      8.53697491    -13.29792835
  H     14.72841090      5.10243540    -13.02629668
  H     17.26088194      7.63855377    -13.42470325
  O     10.73017660      7.56064637    -11.01092290
  H     13.93312466      6.04454730    -13.94241780
  H     17.21248069      7.18203893     -9.53436356
  O     19.07239724      8.83536666    -11.61123242
  H     13.89498177      8.38819626    -10.88950624
  H     18.22687289      7.53726919     -8.42307688
  O     11.08358986      6.19715099    -13.50239498
  H     14.85058406      9.60044571    -10.56788174
  H     14.06227490      9.91439334    -16.95981935
  O     18.07609657     11.37091112    -11.61045975
  H     17.10161891      4.07906232    -12.83730380
  H     14.40626510     10.44211016    -18.36859291
  O     18.03683837      7.08524628    -13.62121669
  H     17.17360621      5.60513713    -13.05700558
  H     13.49950631      6.22480585    -11.56425586
  O     17.85775276      7.85131211     -9.24404055
  H     16.04978985     10.29373378    -13.62063186
  H     12.43279843      6.89356082    -10.65950160
  O     14.77434882      9.98479469    -17.61638737
  H     16.80899728     11.47217147    -12.99273914
  H     13.56402590     10.33716657    -12.45225938
  O     13.36530802      6.64721030    -10.70230860
  H     15.62098433      8.22885815    -17.57409659
  H     14.22468102     11.31935168    -13.42176700
  O     13.37724184     10.90518558    -13.21775861
  H     16.86901929      7.53246975    -16.99288744
  H      9.67771361      8.12069056    -15.58291096
  O     10.47363787      8.31454587    -15.09514617
  H     18.09422897      9.04568911    -16.15368567
  H     10.70217306      7.50745592    -14.59985817
          69
 Ord_Energy   -248.746521    
 O   -4.62590265     -0.631523192       3.11231732    
 H   -5.27574587      -6.12341985E-03   3.45380807    
 H   -5.05561066      -1.10521460       2.38650894    
 O   -9.73091412      -1.09375381       7.39047003    
 H   -10.2837667     -0.645112395       8.02603340    
 H   -10.2316275      -1.12234318       6.55733252    
 O   -7.42452383      -2.68167543       4.02674055    
 H   -7.74449730      -3.58415818       3.92132449    
 H   -6.87973690      -2.65165973       4.82293463    
 O   -10.6624432      -4.14634037       4.92372036    
 H   -11.3903589      -4.42838287       4.35662222    
 H   -10.6836634      -3.17880464       4.92375517    
 O   -8.08178043      -2.06799650     -0.494948745    
 H   -7.37959528      -1.99162555      0.166036412    
 H   -8.88189793      -1.73278701      -7.18838274E-02
 O   -6.48956347      -5.14973497       1.40047038    
 H   -7.01070833      -5.15994263      0.587260664    
 H   -7.12087536      -5.29324436       2.11565042    
 O   -8.29611683      -4.74515295     -0.768590689    
 H   -8.31892681      -5.03466558      -1.67626488    
 H   -8.20162964      -3.77450228     -0.781331122    
 O   -6.63601494      -6.28173637       5.15906572    
 H   -6.58983469      -5.90001392       6.04265833    
 H   -5.82687616      -6.01587725       4.69538546    
 O   -7.12887287     -0.171074152       6.56309557    
 H   -7.99781609     -0.429092765       6.89013815    
 H   -6.58718491     -0.972752452       6.57948256    
 O   -6.66615725       1.09562492       4.21155787    
 H   -6.81817007      0.696361542       5.08787107    
 H   -6.50998545       2.02518177       4.35597277    
 O   -8.50559711      -5.22991276       3.57657838    
 H   -7.89514732      -5.71848488       4.15418911    
 H   -9.25512123      -4.93742323       4.11640930    
 O   -8.82071209     -0.485109925       3.32514048    
 H   -8.19455910      0.228885889       3.48654199    
 H   -8.36200333      -1.29312253       3.60962772    
 O   -10.3018541      -1.62156868       1.23543179    
 H   -9.77313519      -1.17049146       1.91032016    
 H   -10.1816368      -2.57293344       1.35912848    
 O   -9.18553925      -3.89536166       7.35341501    
 H   -9.75596619      -4.14738846       6.61780977    
 H   -9.32535076      -2.94871473       7.48038960    
 O   -4.58161640      -5.28701162       3.60360098    
 H   -4.98856831      -5.24107695       2.73131180    
 H   -4.24366951      -4.40654802       3.80545568    
 O   -12.4506750      -4.68896294       2.78919148    
 H   -11.6904697      -4.67523623       2.18348765    
 H   -13.0256319      -5.39069557       2.49447536    
 O   -6.67554235      -4.85868359       7.62927914    
 H   -6.55349159      -5.22469711       8.50101376    
 H   -7.59879827      -4.54987621       7.57823324    
 O   -6.16817093      -2.35690665       1.55901396    
 H   -6.08587170      -3.29765129       1.35938048    
 H   -6.58543873      -2.34322929       2.43305421    
 O   -10.8963823      -1.32244897       4.92952061    
 H   -10.1845522     -0.914262831       4.41551161    
 H   -11.6503410      -1.40251064       4.32760859    
 O   -10.0758657      -4.49577904       1.39620924    
 H   -9.58911419      -4.66039991      0.579259932    
 H   -9.50566959      -4.79357052       2.11898208    
 O   -12.6437159      -1.80346084       2.87262750    
 H   -11.9881802      -1.61196244       2.18781066    
 H   -12.7897224      -2.75542879       2.82791638    
 O   -5.77034378      -2.58566022       6.27204370    
 H   -5.94708681      -3.38790560       6.77925444    
 H   -4.94020176      -2.69748974       5.79042292    
 O   -3.60614443      -2.72049451       4.51394415    
 H   -2.66261029      -2.62432194       4.61470318    
 H   -3.91523790      -1.94358480       4.01494026    
          69
 Energy    -248.74611159822172     
  O     15.84660429      9.23310968    -14.85837843
  H     16.31578941     10.03768315    -15.12900656
  H     12.89498721      9.75617896    -11.06778906
  O     16.40744080      7.67436169     -8.47629811
  H     15.83940832      9.20052023    -13.88706127
  H     13.92654014     10.21950417     -9.09543330
  O     17.29591167     11.47219217    -15.34656390
  H     16.71095546      7.33483482     -9.33609442
  H     12.49078287     10.51712662     -8.59933820
  O     13.66907910      7.21607440     -9.13404911
  H     16.98751925      7.30619868     -7.81488197
  H     20.51552704      3.80953849    -12.52818827
  O     14.69110694      6.70609672    -14.85429697
  H     17.08451001     12.06001752    -14.61087039
  H     19.18237474      4.29381934    -13.12683683
  O     18.23322866      7.76809474    -15.10765699
  H     18.21621272     11.19985058    -15.24546303
  H     16.52067645      6.16769592    -11.45023539
  O     19.77920094     10.10322324    -15.04419641
  H     13.31302557      8.11253070     -9.13926712
  H     17.89113848      6.91792293    -11.44438294
  O     19.27905169      7.20883484    -12.53069842
  H     14.57647717      7.29917170     -8.81690689
  H     15.93971830     13.82353487    -13.12560185
  O     13.04913390      5.37669713    -11.02060603
  H     15.02490855      7.60691177    -14.96601800
  H     15.32692204     12.42530508    -13.37103435
  O     13.98693258     11.38952957    -13.87610870
  H     13.82875103      6.79083915    -14.41886932
  H     15.99940731      5.85206468    -15.74204508
  O     12.50787060      7.08934478    -13.26255014
  H     17.42244143      8.28830430    -15.01654408
  H     16.62754437      5.20939460    -16.99808595
  O     13.09904404      9.54159855    -11.98553543
  H     17.96207213      6.94531114    -15.53085928
  H     16.19145835      8.22438750    -11.72753761
  O     12.98686632      9.99166351     -9.22059867
  H     20.59810008     10.07127260    -15.53317774
  H     16.26144623      9.77623427    -11.76545791
  O     20.02907753      4.59658428    -12.75578378
  H     19.35413848      9.23809608    -15.15902827
  H     16.89044565     11.86589193    -11.76164929
  O     17.05936278      6.80653026    -10.96324698
  H     19.68024096      6.32720744    -12.55321100
  H     18.03006505     10.84140923    -11.44212023
  O     16.14832954     12.89286285    -13.13614081
  H     18.92005114      7.36899858    -13.41348990
  H     14.60277263      5.16338452    -11.99008872
  O     16.82954442      5.50886771    -16.11501410
  H     12.47337385      4.72810877    -10.62470694
  H     15.18722220      5.76384097    -13.29399550
  O     15.80818255      9.00719856    -12.13835939
  H     13.25117908      6.03190550    -10.32889347
  H     19.63881921     10.20592339    -13.10263104
  O     17.17503775     11.18547043    -11.13879736
  H     13.52002573     10.86778946    -13.20791049
  H     19.47203550      9.04706958    -12.12182426
  O     15.41105839      5.23898505    -12.51374802
  H     14.33285438     10.74361038    -14.49844651
  H     16.22391617     10.77324440     -9.58727030
  O     19.42237264     10.01014008    -12.18414862
  H     12.54885726      6.47428324    -12.52055133
  H     15.99831005      9.52569611     -8.70059070
  O     15.64535536     10.39971894     -8.90957383
  H     12.56237329      7.97041290    -12.86839545
  H     17.40812905      4.36189106    -14.67523713
  O     17.57711584      3.96973063    -13.81061761
  H     14.03592331      9.28886943    -11.99369341
  H     16.82567393      4.23599623    -13.26496274
          69
 Energy    -248.74606534718498     
  O     18.88675693      9.48629721    -14.96433753
  H     19.36308445      8.64329327    -14.98960840
  H     20.77864833      6.93328046    -14.07314199
  O     22.09478332      6.92225268    -12.73329792
  H     18.00911840      9.30210150    -15.31489683
  H     18.60530327      3.89027136    -14.48477276
  O     16.27660381      8.11931394     -9.56199670
  H     23.01940942      7.15276831    -12.71128136
  H     19.64567930      5.00385944    -14.76037189
  O     12.92584820     10.48987727    -11.87001730
  H     21.64416069      7.50131814    -12.09287432
  H     15.26235654      9.51408505    -14.51568597
  O     16.24616278      8.67727383    -15.91323636
  H     15.88255266      7.33206455     -9.96488884
  H     15.62260242      9.67869069    -13.01751434
  O     11.68257284      7.90667260    -11.93097565
  H     15.52859113      8.69161349     -9.33518646
  H     17.53716563      7.79355164    -12.52104790
  O     18.60148881      5.31013413    -10.74484706
  H     13.59166702     10.31568601    -12.55522590
  H     18.03707836      6.36144789    -12.11606849
  O     14.71328373      6.12325280    -10.74461840
  H     12.58868053     11.36728496    -12.03514580
  H     14.25090620      7.98950913    -13.38230234
  O     20.81762393      4.45459153    -12.04170964
  H     16.09330229      8.70197161    -16.85514875
  H     14.59673252      6.57902490    -13.88541194
  O     16.33648106      3.98212150    -11.64883720
  H     16.20857049      7.74165774    -15.65253457
  H     17.97142736      7.79476381     -9.12503010
  O     16.70645536      3.47511354    -14.29303401
  H     12.32239309      7.47241972    -12.51145531
  H     19.10362482      7.57855894     -8.09665015
  O     19.96631760      6.94883255    -14.59612365
  H     11.93616394      8.83854968    -11.92581709
  H     13.32521372      8.67152852     -9.22489076
  O     19.55005894      4.08019891    -14.49762628
  H     18.81518618      5.95403909    -10.06319967
  H     13.59485877      9.88504079    -10.12926381
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  H     19.43119898      4.96574035    -11.11440170
  H     20.11632415      8.25581095    -10.35142240
  O     17.79926076      6.93032366    -12.86027750
  H     13.92614552      6.27347772    -10.20674409
  H     20.27727538      9.27007177    -11.51398819
  O     14.00884936      7.05837683    -13.28840252
  H     14.49870152      6.44357753    -11.63257801
  H     19.69653996     11.46744377    -12.62288317
  O     18.91333339      7.57462248     -9.03190247
  H     20.43232823      4.18038110    -12.88781865
  H     19.22811307     10.23121166    -13.43059584
  O     13.89528091      9.44522956     -9.32537723
  H     21.37963053      5.21203108    -12.24210797
  H     16.22563072      5.17027272    -14.88230082
  O     20.71197601      8.54203042    -11.05345301
  H     17.16956794      4.27742564    -11.25512496
  H     16.71063137      6.41223752    -14.12241092
  O     19.36779311     10.57749603    -12.52975671
  H     15.67479882      4.59286100    -11.30228012
  H     11.99693244      7.29403737    -10.31560645
  O     16.12762972      6.12920419    -14.84714287
  H     16.47739038      2.56919727    -14.48191234
  H     11.63150195      6.63313627     -8.96380130
  O     12.35318801      7.02080938     -9.45101187
  H     16.55528270      3.60823314    -13.33935023
  H     17.76122624      9.91936667    -11.94426715
  O     16.93089456      9.42825004    -11.90540956
  H     19.23643566      6.93317337    -13.95682666
  H     16.77496384      9.10047706    -11.01026419
          69
 Energy    -248.74592872410247     
  O      2.01552069     -1.33477486      4.60394367
  H      1.96227561     -0.37091184      4.56733409
  H     -1.50996454      1.64033437      1.59450728
  O      2.30451701      2.01205785      7.21555419
  H      1.52256110     -1.67850699      3.84475171
  H     -1.26726990      2.17336259      3.81433880
  O     -2.72897954     -3.74769745      6.83792007
  H      2.15206984      1.26380504      7.81985138
  H     -1.71719984      1.12714597      4.88202595
  O      1.49219032     -5.47561360      5.79816562
  H      2.96528187      2.56213205      7.62823404
  H     -0.95356642     -0.21441683      0.56006443
  O      0.44003887     -2.23452224      2.51461415
  H     -1.87618214     -3.92790948      7.25504025
  H     -2.13806333     -0.67369003      1.43209199
  O      0.01288099     -4.75783574      3.68276197
  H     -3.04758925     -2.91816011      7.21246288
  H     -0.84852595      2.48793588      6.47121818
  O      3.14789050     -3.21269282      6.33988888
  H      1.74395588     -6.39117674      5.71610960
  H      0.39677874      2.55048456      7.37482340
  O      1.68659133     -0.00968287      8.92420002
  H      0.98273536     -5.25130784      4.99804246
  H      2.37059350      2.57504679      1.71866208
  O      2.24670431     -2.79684902      8.85489550
  H      0.70113296     -1.72121353      1.74092160
  H      1.76860986      1.71509827      2.84933989
  O     -2.30333047     -1.89592175      2.88791396
  H     -0.50439601     -2.06970729      2.65267637
  H      0.61042999     -1.46783967      5.74839262
  O      1.01506607     -0.42333522      0.45608708
  H      0.25811994     -3.96626216      3.18690993
  H     -0.18710615     -2.43510557      6.66639431
  O     -1.13064250      2.40508216      2.05341231
  H     -0.93913305     -4.70028512      3.83140731
  H     -2.77958475     -4.13597320      5.13108079
  O     -1.15794848      1.90110060      4.73734838
  H      2.69871476     -4.02476122      6.07316238
  H     -3.44893635     -5.01450928      4.05044878
  O     -1.85384569      0.01483001      0.81711846
  H      2.88926289     -2.53704837      5.69798326
  H     -1.02298686      0.96815617      8.11150339
  O     -0.56673900      2.55047062      7.39520396
  H      0.72388329      0.02058533      8.98995467
  H     -0.69465574     -0.48217252      7.66169498
  O      1.77118543      1.85178024      1.88706585
  H      1.92025054     -0.94546794      8.92427781
  H     -4.22625280     -0.88886233      8.40534468
  O     -0.19512305     -1.55492704      6.27107091
  H      2.85141947     -3.17585995      9.48770455
  H     -2.71482348     -0.70605796      8.14304397
  O     -2.76136651     -4.36746931      4.18562791
  H      2.65024776     -2.91244388      7.97496011
  H      0.63649204     -3.61661348      8.22939920
  O     -1.09889280      0.03733420      8.37405108
  H     -2.55263890     -2.77731317      3.19127898
  H      0.44229978     -4.59972348      7.05344386
  O     -3.51972688     -1.14524229      7.81840591
  H     -2.47026188     -1.31060579      3.64109823
  H      1.92391857      1.65995341      5.45554117
  O     -0.03129221     -3.99942006      7.64603958
  H      1.47552731     -0.44705374     -0.37935572
  H      0.60030125      1.54564668      4.65206035
  O      1.55960184      1.41570345      4.59484732
  H      1.31954129      0.37141408      0.92230306
  H     -1.66707790     -0.91608164      5.51844740
  O     -2.49619365     -0.49187084      5.24039423
  H     -0.18780225      2.37765946      1.86459915
  H     -3.09466211     -0.60408157      5.98594214
          69
 Energy    -248.74583166166585     
  O     19.40730264     10.03479580    -14.09032470
  H     19.89320929      9.24808110    -13.80059003
  H     20.63210103      7.49490873    -12.16840604
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  H     19.02266337      9.81374122    -14.94645836
  H     18.90763981      3.37627984    -13.22710882
  O     15.68381737      8.66084480    -10.52011810
  H     19.68319536      7.44456498     -9.98360397
  H     20.12199215      4.23703920    -13.67626003
  O     13.03811895     10.48180269    -13.93109609
  H     20.54537210      6.20679514    -10.32087285
  H     16.07369325      9.53580408    -14.03221973
  O     17.81548692      9.24769330    -16.40439246
  H     16.22381278      9.03457336    -11.23411487
  H     14.70601598      9.98936229    -14.61030183
  O     11.95125701      8.00454032    -14.20238368
  H     14.82326086      9.10044399    -10.57574464
  H     17.81897365      6.12131793    -11.90082383
  O     17.73407858      5.18116010    -10.23097441
  H     12.45231468     11.17763624    -14.21797137
  H     18.76782726      6.92663473    -12.84854273
  O     14.38907176      6.45811928    -11.83198956
  H     12.56979426      9.64045682    -14.07952919
  H     14.89954946      7.80990307    -14.74939180
  O     20.37343381      4.31443757    -10.41681518
  H     16.96919076      9.37142317    -15.94573899
  H     15.21606361      6.29104413    -14.81924741
  O     15.68333060      3.94675019    -11.58641167
  H     17.76497661      9.76633821    -17.20451031
  H     17.87764213      8.10515175     -8.22896794
  O     17.10416430      2.84926565    -13.60813967
  H     11.71675495      7.70124356    -13.31614852
  H     17.06725322      8.08694855     -9.53972805
  O     20.44060406      7.62630016    -13.10955337
  H     12.73203583      7.49440488    -14.45948125
  H     21.57909515      5.27672621    -15.47617775
  O     19.78495360      3.67876548    -12.96466116
  H     18.62184169      4.80331063    -10.18398236
  H     20.15232572      5.87352327    -15.44061919
  O     15.52988747      9.54034157    -14.83598990
  H     17.73577054      5.99083560     -9.70411551
  H     12.59653855      8.97946221    -11.14077601
  O     17.85018832      6.65476453    -12.70312002
  H     14.89797464      7.13439168    -11.36726279
  H     13.20262009     10.09458317    -12.00642316
  O     14.53239073      6.93135019    -14.58085099
  H     14.46836828      6.63532268    -12.78072440
  H     17.13169006      5.82189786    -14.10439839
  O     17.85361426      7.71995145     -9.10175186
  H     20.92377751      3.64105617    -10.02740342
  H     16.81524874      4.39998445    -14.60960406
  O     20.85417919      5.47955782    -14.89093693
  H     20.21518140      4.05129301    -11.34243887
  H     18.51989432      7.47461653    -16.37520422
  O     13.21312801      9.72169777    -11.11708602
  H     15.10971959      4.71412614    -11.70163848
  H     18.03642847      6.07429238    -15.94865351
  O     16.75859291      5.33053104    -14.85511038
  H     16.37946963      4.25367444    -10.98707553
  H     11.27214765      6.66034023    -10.90201540
  O     18.80281690      6.55726416    -16.28855039
  H     16.82528924      1.95257976    -13.77202000
  H     12.67434452      6.85485709    -11.52399757
  O     11.78382254      7.24107910    -11.45880459
  H     16.55334540      3.18609326    -12.87744530
  H     17.97527663      9.74599155    -13.04600567
  O     17.18739312      9.32352809    -12.67521803
  H     20.78946808      6.88729884    -13.62126735
  H     17.35880956      8.36909923    -12.68809804
          69
 Energy    -248.74581956203457     
  O     15.16093127     11.87886416    -12.49221236
  H     15.92475165     11.47017556    -12.06481738
  H     10.90398693      4.60687030    -12.43245441
  O     17.27498682      9.89824103     -7.28405623
  H     14.65787823     12.29750350    -11.78375499
  H     12.96200885      5.60337010    -13.68281707
  O     16.87903819      6.17153362    -10.78145873
  H     18.01997351     10.00295736     -7.88875166
  H     14.18232391      6.40356182    -14.21986006
  O     13.51631382      5.24776933    -10.60334073
  H     16.52840718     10.34855276     -7.70202923
  H     11.59266699     10.88901449    -11.48235324
  O     18.86708609      7.15194897     -9.06023699
  H     16.53278579      5.45314764    -11.32360449
  H     11.14954466     10.70754174    -10.02437218
  O     17.04424186      7.23760489     -6.83155104
  H     16.22400010      6.34335099    -10.09104878
  H     14.61073640      8.94434363    -14.44269481
  O     17.05298716     10.54014542    -10.89343216
  H     14.18762442      4.77012035    -11.11022167
  H     15.78623426      8.17536763    -13.75230145
  O     13.70038125     12.86751339    -10.23381850
  H     13.94481301      5.55897611     -9.79491378
  H     19.20484809      8.85601073     -9.29426701
  O     10.18350632      7.88652681    -11.56253317
  H     18.35972770      7.06249626     -8.24425560
  H     20.21600058     10.02403627     -9.36980259
  O     15.17830784     10.92569451     -8.83134020
  H     18.32745535      6.73563424     -9.74556287
  H     14.48123568      7.34347933     -8.67452340
  O     13.72441849      7.95184963    -11.64648492
  H     17.08872105      8.20651724     -6.92875506
  H     15.68157037      6.67832086     -7.95532135
  O     11.40171484      5.41775809    -12.35055163
  H     17.21677531      7.04551314     -5.91388439
  H     12.43071919     10.07831974    -13.55644931
  O     13.85389337      5.51131130    -14.03243880
  H     16.39582470     10.61951462    -10.18821089
  H     12.47490721      9.06063254    -12.40204885
  O     11.50078794     11.35835064    -10.64147570
  H     17.89771717     10.38651151    -10.45249773
  H      9.91854210      8.94026245     -8.56024196
  O     14.91677418      8.07054797    -14.17446636
  H     13.44636415     13.77020750    -10.06262839
  H     10.44102445      8.57552424     -9.96939927
  O     19.28432281      9.82601676     -9.33409720
  H     12.87702125     12.36062495    -10.35510351
  H     14.96829117      4.65186882    -13.01692785
  O     15.02438365      6.54221944     -8.64917505
  H     10.53207799      7.03358046    -11.84812875
  H     15.79970792      3.39436196    -12.66040966
  O     11.89281058      9.68749164    -12.85835403
  H     10.56272075      8.53914023    -12.16696289
  H     14.37986494     11.14212579    -13.84175745
  O     10.66714197      9.03765685     -9.14227602
  H     14.55078856     10.18839264     -8.84165556
  H     13.95733371     11.26077008    -15.32616048
  O     15.49207973      4.22689716    -12.31315536
  H     14.71391188     11.68559581     -9.20263106
  H     13.60155219      8.61272563    -10.01413851
  O     13.90793313     10.68928120    -14.56504276
  H     13.64298962      7.02020322    -11.41365232
  H     12.50643998      8.85527549     -8.94657432
  O     13.46071474      8.78572957     -9.06923978
  H     14.26382663      7.99880937    -12.44636006
  H     17.07495717      9.10566587    -12.05221788
  O     17.07956370      8.31277559    -12.60368630
  H     12.04922330      5.27386564    -11.64022731
  H     17.07277296      7.56698516    -11.99013613
          69
 Energy    -248.74531840322314     
  O     15.09745604      9.85245639    -10.36195593
  H     15.16025543     10.51017363    -11.06893660
  H     12.25479058      8.45598847    -10.44929399
  O     13.80071233     11.63681716    -15.98659266
  H     15.95221343      9.79325974     -9.91990711
  H     17.77709200      6.18160198    -13.87749979
  O     17.41358514     10.14015497    -13.77353183
  H     14.23276811     12.36810331    -15.52876585
  H     17.03703580      6.47406100    -15.18219821
  O     12.17585706      6.47527132    -13.28783260
  H     13.33070386     11.14260598    -15.30266078
  H     16.20248776     13.08763891    -14.98434241
  O     16.70504961      6.72968995     -8.89923755
  H     18.02863142     10.00828508    -13.04402936
  H     15.56112248     14.42819183    -14.54885821
  O     17.39525726     12.08682940    -15.79207358
  H     16.59922359     10.49057943    -13.38613948
  H     13.37767689      9.32535998    -14.12955762
  O     15.49024050      7.63447049    -12.06915821
  H     12.71050346      5.94931667    -12.67634094
  H     12.25750013      9.77716405    -13.16461928
  O     15.12687020     11.36572968    -12.67369006
  H     12.80358583      6.83264746    -13.92971370
  H     15.52972622     10.50577704    -18.41133639
  O     18.20614652      7.09139632    -12.33375853
  H     15.77629426      6.49562957     -8.79436069
  H     15.00366429     10.82932940    -16.99461528
  O     19.05889609      9.65087341    -11.49084124
  H     17.09715954      6.03000638     -9.44193705
  H     10.25635728      8.66701908    -12.01367633
  O     16.10213560      3.92121063    -12.87859783
  H     16.96932849     11.59347147    -16.50406422
  H     11.48289286      7.84505558    -12.47655286
  O     12.86315016      8.32727896     -9.71236763
  H     17.58582333     11.43057098    -15.10680071
  H     13.46938118      5.65957563     -8.10923467
  O     17.25184508      5.75970427    -14.57318121
  H     14.98348645      6.85448897    -11.80551832
  H     13.50361515      6.82548679     -9.12767812
  O     15.45237660     13.48250365    -14.50392560
  H     15.28682802      8.34550931    -11.45070048
  H     14.72354955      4.70987694    -11.92780229
  O     12.92405840     10.10780160    -13.77677322
  H     14.32612105     10.94565651    -13.02339487
  H     14.06197833      5.29956160    -10.61613179
  O     15.75458647     10.45163577    -17.48623468
  H     15.23277097     12.19617199    -13.15336871
  H     17.22922130      4.37917129    -11.31609749
  O     11.20995135      8.66588803    -12.02670377
  H     17.26025063      7.29712802    -12.24756091
  H     18.10514751      5.62274651    -11.22599222
  O     13.94660017      5.99862425     -8.86160833
  H     18.68004700      7.89453990    -12.10088423
  H     15.00826280      7.96906035    -15.16588837
  O     14.03564797      5.29348701    -11.58071610
  H     19.92495878      9.98620290    -11.27154738
  H     14.71569820      7.76584642    -13.67465466
  O     17.75367902      4.89388425    -10.69369878
  H     18.57964200      9.53795192    -10.65418390
  H     17.30128409      8.31550496     -9.07133386
  O     14.28463164      7.86576606    -14.53790599
  H     16.12452781      3.05887654    -13.28560373
  H     17.79694806      9.54839309     -8.28047929
  O     17.59570468      9.24211666     -9.16097512
  H     16.45498690      4.54408185    -13.53802189
  H     16.42793738      8.96272358    -16.52981718
  O     16.68046734      8.33083943    -15.84475266
  H     13.57942184      8.96444985     -9.84108111
  H     17.00830114      8.86314727    -15.10528209
          69
 Energy    -248.74531450420881     
  O     12.46871712     10.83511447    -15.14783013
  H     12.78308454     10.04252520    -15.60515563
  H     19.90537130      6.36776573    -13.33342512
  O     15.11269178      6.63822067    -12.53690864
  H     13.19091197     11.47212238    -15.17850688
  H     16.17906891     10.30957049    -17.22810870
  O     17.52081345     10.19684276    -11.35930892
  H     14.43758158      6.89840560    -11.89296204
  H     17.29739748     11.06275795    -16.47761317
  O     19.01470727     10.63512593    -15.83311971
  H     15.22319681      7.39061069    -13.13793867
  H     14.86026771      8.74834567    -14.88289646
  O     13.06418847      6.38295291    -14.63782093
  H     17.42677463     10.39185904    -10.41857629
  H     16.39754304      8.56724106    -14.71418139
  O     14.36325274     10.31218818     -8.55333767
  H     16.78195419     10.61761021    -11.82106251
  H     11.54883276     10.55590880    -13.72059387
  O     13.24448127      7.61225894    -10.73387644
  H     19.80251788     11.00038528    -16.22725614
  H     10.23683372     10.80882371    -12.93966239
  O     15.36743408     11.09072345    -12.83536883
  H     19.20936032     10.50752856    -14.88678925
  H     17.20210967      7.39326481     -9.54718693
  O     16.01242064      8.39485096    -17.74801053
  H     12.34426035      6.71379658    -14.07758375
  H     17.10035138      8.57309140     -8.56094813
  O     14.24931106      7.47496744     -8.11323509
  H     13.77039107      6.15584575    -14.02519513
  H     11.12678533      8.43555838    -12.87407940
  O     17.89311963      8.06122536    -15.73691798
  H     14.19031944      9.39737710     -8.29864931
  H     11.84855721      7.39781933    -12.00496432
  O     19.28632257      7.07607840    -13.48993227
  H     13.90686115     10.44866362     -9.39486728
  H     19.62047387      8.99314196    -13.30462408
  O     16.39282177     11.14822021    -16.80558520
  H     13.49810048      7.45752277     -9.81654197
  H     18.90122840     10.14146734    -12.56876309
  O     15.58398869      8.77573973    -14.24136082
  H     13.28098166      8.56970032    -10.87375426
  H     16.67795738      7.03434974    -11.76619931
  O     11.08268285     10.37266762    -12.88457030
  H     15.18466973     11.75606122    -13.50828556
  H     17.45550011      8.35293974    -11.42966029
  O     16.91398442      7.63063131     -8.65709566
  H     15.43690765     10.24875562    -13.31496982
  H     16.08393710     10.51316490     -8.57801272
  O     11.30706520      7.49137197    -12.80001918
  H     16.23485656      7.97669068    -18.57647312
  H     17.37253701     11.09758512     -7.94874153
  O     19.52562726      9.95254750    -13.28296361
  H     16.68769398      8.11899008    -17.10716551
  H     12.45731981     10.45005778    -11.65671766
  O     17.51884190      7.38638966    -11.43675221
  H     14.08250170      6.92416532     -7.35340298
  H     13.99028485     10.68473004    -11.70717657
  O     17.05756570     10.50297976     -8.62373165
  H     15.20826676      7.44387777     -8.27949889
  H     15.33216532     12.07785795    -15.77586525
  O     13.26963116     10.38205414    -11.13813831
  H     18.36582821      7.58421083    -15.04309973
  H     14.73748616     13.46859017    -15.45530594
  O     14.76069113     12.56388407    -15.15516980
  H     18.34506186      8.91026094    -15.84448473
  H     13.37609185      7.69347538    -15.77557941
  O     13.62101172      8.53264733    -16.20105935
  H     18.68194650      7.09109909    -12.72763623
  H     14.29745932      8.36195619    -16.86511181
          69
 Energy    -248.74516174699068     
  O     11.23202221     12.14693153    -12.60275941
  H     10.30812146     12.33909398    -12.47064519
  H     12.77004871      8.33527859    -14.11908725
  O     17.23372071     12.34009241    -12.98336762
  H     11.42123316     11.31759545    -12.12608282
  H     15.28701670      9.73497840    -13.22538463
  O     14.91168718      8.20169509     -9.80210962
  H     16.84531120     13.22033208    -12.94820967
  H     14.38632936     10.95669166    -13.62008828
  O     17.35901352      7.98036074    -11.05871019
  H     16.48156449     11.72937536    -13.06212632
  H     13.66958956      9.13630848    -16.24337260
  O     18.99669308      6.00929500    -12.03289653
  H     14.09634086      7.77260218    -10.05865776
  H     12.22783330      8.71421932    -16.60906135
  O     13.00981822     11.57412161    -14.68125318
  H     14.74177239      9.15015513     -9.88357877
  H     17.64636077     11.05931882     -9.84744786
  O     17.55596606      8.38884602    -15.41014685
  H     16.57042508      8.01872286    -10.49911788
  H     17.41145024     11.27999524     -8.34382801
  O     18.53029678     10.52471364    -11.34701907
  H     17.74168323      8.86634810    -11.11241779
  H     20.17509847      8.82712946    -13.71803438
  O     15.29998094      9.36667734    -16.79051400
  H     18.94978979      5.23526216    -11.47824562
  H     19.74833375     10.25128250    -14.10651581
  O     19.82117667      7.04837155    -14.40588643
  H     18.42781530      6.67563801    -11.61344216
  H     14.17739891     12.82173834    -15.31708955
  O     16.52654164     11.92958685    -17.15294181
  H     12.30309992     11.78323659    -14.05738373
  H     15.15034980     13.88220491    -14.76140665
  O     12.96376392      8.07881374    -13.20964674
  H     12.78382286     10.75297533    -15.13738015
  H     15.59884443     15.51156903    -12.78536493
  O     15.11401595     10.66961396    -13.05504680
  H     17.83945639      9.30901120    -15.30357629
  H     14.81808513     14.21612861    -12.47177233
  O     12.75615067      9.08378708    -15.90679078
  H     18.31784607      7.84169483    -15.18454822
  H     13.87771876     12.70778402    -10.95957139
  O     16.98168289     11.32812052     -9.19419559
  H     19.23617072     10.20880779    -11.92946803
  H     12.72501058     13.13690230    -11.88056889
  O     20.18142429      9.74058008    -13.41011585
  H     18.09803398     11.23811037    -11.83930019
  H     18.03526075     11.58206581    -14.43653144
  O     14.91778842     13.39587407    -15.56004718
  H     15.64744493     10.24430454    -16.99091392
  H     17.86122989     11.38616115    -15.95317140
  O     15.53316631     14.58896392    -13.01691568
  H     16.04583870      8.87183373    -16.42866728
  H     12.34658918      9.24083366    -11.97108516
  O     13.56620957     13.43334130    -11.51324891
  H     20.51552064      6.51378196    -14.78196659
  H     12.82591837     10.22889746    -10.86908595
  O     18.35890586     11.06740552    -15.18971405
  H     19.55356834      6.61870959    -13.57492471
  H     15.35924497     11.17272560     -9.90569673
  O     12.04556766      9.91134067    -11.33768854
  H     15.96686542     12.50071833    -16.59591369
  H     14.76983526     10.85842330    -11.32441911
  O     14.54380640     10.96143329    -10.38506498
  H     16.63858998     12.38218473    -17.98454377
  H     16.30162262      7.89874512    -12.56302945
  O     15.75045805      7.98589004    -13.35113904
  H     13.90906678      7.87509267    -13.21016139
  H     16.35041133      8.03824699    -14.10692608
          69
 Energy    -248.74506065163445     
  O     18.05399984      8.87407779    -10.67571529
  H     17.40224162      9.56524133    -10.85336212
  H     18.56564291      8.99136418     -8.96053104
  O     14.30184798      9.45632078     -9.86023648
  H     17.59556071      8.02722328    -10.60078618
  H     20.28921514     10.21360206    -12.29868232
  O     19.37491798      3.60420691    -12.54776416
  H     14.86515823      8.93742623     -9.25970950
  H     19.29994736      9.13222087    -11.82723750
  O     21.37858448      7.06946470    -11.86604471
  H     13.53567285      9.71760538     -9.35588044
  H     21.38997949      5.90454612    -13.21500990
  O     18.91460452      6.07877977    -15.31920546
  H     18.56852181      3.68733372    -13.07166791
  H     22.15027043      5.06217922    -14.26375261
  O     22.62712748      7.60208054     -9.40469368
  H     20.06908850      4.02294038    -13.07223002
  H     16.66083523      4.94375419    -13.73187849
  O     15.97375636      7.97120425     -8.30196175
  H     20.95433030      7.89468345    -12.14100443
  H     16.38212541      3.63869209    -14.51105911
  O     20.43638165      6.68060845     -8.13526417
  H     21.91819739      7.26234232    -11.08915539
  H     15.49890690     10.52641418    -10.76746121
  O     16.93703203      6.34448638    -10.32927130
  H     18.30806514      5.36330663    -15.09195651
  H     16.07550997     10.74466314    -12.20226123
  O     18.16331687     11.56559213     -7.41722128
  H     19.76622871      5.82699215    -14.94035577
  H     16.57360480      9.51468985    -14.11182596
  O     18.23404803     12.44312900    -10.00925819
  H     23.43876679      7.32845952     -8.98652078
  H     15.65415566     10.58352951    -14.74444346
  O     18.79183859      8.99587502     -8.01736875
  H     21.89700957      7.22907628     -8.87569262
  H     21.83996548      9.31623330     -9.25439893
  O     19.94493092      9.34196610    -12.52492308
  H     16.21981193      7.25022900     -8.90136955
  H     20.51358298      9.80704144     -8.65014011
  O     21.27705786      5.26383686    -13.93686147
  H     16.80260424      8.30541318     -7.94686721
  H     14.12227297      8.60183192    -11.58398565
  O     17.08461861      4.18616789    -14.16981063
  H     19.81524017      7.39886886     -7.95676251
  H     14.56944857      8.95043539    -13.02019479
  O     16.24149714     10.89813660    -11.26341605
  H     20.02682642      6.10756222     -8.79726150
  H     18.28747084      7.63142173    -14.72355559
  O     15.82637574     10.11097182    -13.93394523
  H     17.81355185      5.93315885    -10.32208600
  H     18.67100214      8.74780958    -13.70935357
  O     21.27467897     10.09313575     -9.16644543
  H     16.59585497      6.26568641    -11.22951439
  H     21.41332231     12.38794970    -11.34675482
  O     14.16448314      8.25672861    -12.48408360
  H     18.18293683     11.95223176     -8.30948055
  H     20.97498226     11.17591277    -10.48937945
  O     17.93220200      8.36769532    -14.20272872
  H     18.19654423     12.29807708     -6.80858548
  H     16.82013859      7.11017691    -13.35156803
  O     20.73794683     11.71997254    -11.26336198
  H     19.04024404     12.26027014    -10.50505003
  H     15.36069183      6.98670599    -12.83432039
  O     16.17472576      6.48615040    -12.99317839
  H     17.50992999     12.02658700    -10.49526636
  H     19.43272650      4.64492203    -11.07669221
  O     19.51309909      5.40681286    -10.48417700
  H     18.55745191      9.87249777     -7.67420664
  H     20.09917110      6.02629414    -10.93731126
          69
 Energy    -248.74480906851215     
  O     12.49755771      8.93948527    -16.32848418
  H     12.24000558      9.87514039    -16.24028850
  H     17.00713009      8.62859327    -11.41786160
  O     11.85576756      8.23622922    -12.09241837
  H     12.59253632      8.76558937    -17.26070558
  H     15.30816265      7.31958416    -11.54604172
  O     13.97177136      8.54181029    -14.00423337
  H     11.51587676      8.99146972    -11.59865026
  H     15.41659626      7.70835301    -13.01844461
  O     13.30012639     12.52074488     -7.22271568
  H     12.47475967      7.80492580    -11.48718917
  H     13.72855011     15.46730332    -11.64593478
  O     11.62074763     11.47683493    -15.93482108
  H     13.56674452      8.60580354    -14.87892047
  H     14.50872322     14.15233257    -11.41568192
  O     14.10334799      7.99904643     -7.51488340
  H     13.24460954      8.45802006    -13.37272086
  H     13.96058416      7.61775731     -9.37673988
  O     14.10090507     10.48499985    -10.75228672
  H     12.86447950     12.88680684     -8.01558429
  H     14.06433994      8.68037423    -10.49061470
  O     12.24509657      9.92773250     -7.77715447
  H     13.10723556     13.11383343     -6.50207805
  H     18.32838063     11.57035118    -12.93629186
  O     16.03151341     13.43625727    -10.96595170
  H     12.03774320     12.05610269    -15.28430545
  H     17.51858550     10.73750969    -11.91352571
  O     11.38812145     10.57821517    -10.40434791
  H     10.71579996     11.33577282    -15.62786457
  H      9.87934719     11.49146127    -13.25383182
  O     12.78716784     12.83055652    -13.72382397
  H     13.81065970      7.36973710     -6.86137206
  H     11.21923685     12.20879999    -12.97329654
  O     17.44926659      9.33578689    -10.92265582
  H     13.40856037      8.68051833     -7.58038143
  H     15.96692382     11.01170914     -8.42353797
  O     15.94894697      7.43591010    -12.26128442
  H     14.39390144     10.74777592    -11.63373199
  H     14.85758384     12.06834875     -8.11355067
  O     13.62848062     14.51906800    -11.61460163
  H     14.60138135     10.99689472    -10.10665809
  H     15.80575336     11.17670175    -13.23734082
  O     13.94320971      7.72967679    -10.33194027
  H     12.54864683     10.79537586     -7.48293896
  H     14.67413201     10.16528212    -13.66896549
  O     17.47659767     11.50461419    -12.51388982
  H     11.78940405     10.07177194     -8.61675193
  H      8.22718955     10.59151530    -15.05213860
  O     10.43227154     11.84307162    -12.54664835
  H     15.96881532     12.97497977    -10.11822177
  H      9.48543658      9.77954518    -14.66085696
  O     15.55506650     11.82644536     -8.73707839
  H     16.58203664     12.87885088    -11.52799229
  H     17.20497355      8.94514279     -7.52272227
  O     14.85655774     11.06834622    -13.37275544
  H     12.34669697     10.60255712    -10.56277522
  H     15.71434784      8.78213094     -7.88810204
  O      9.13263919     10.68097917    -14.76880981
  H     10.94747110     11.01477271    -11.15289533
  H     12.58637835     13.72528078    -10.25187549
  O     16.52628514      9.26115727     -8.11552742
  H     12.99960614     13.53092238    -13.09573332
  H     11.69760604     12.51579300     -9.87565245
  O     12.13903587     13.29153878     -9.51477332
  H     13.52747300     12.20695310    -13.66945741
  H     10.79782795      8.13234964    -13.66272559
  O     10.36046776      8.26895801    -14.51321910
  H     17.15037382      9.26281564    -10.01223603
  H     11.06311709      8.33266631    -15.17203408
          69
 Energy    -248.74479592484809     
  O     18.01501284      8.46133969     -8.26229518
  H     17.39806676      9.15970305     -8.52141970
  H     13.66332068     11.91582217     -8.93910341
  O     15.24173185      5.04642179    -11.12404489
  H     18.57486297      8.31906711     -9.03511013
  H     15.08984367      7.75709795    -14.12394555
  O     11.86913368      5.83474847     -9.86380584
  H     14.44212545      4.78991906    -11.59837613
  H     15.21073536      7.71019413    -15.66608909
  O     17.91269583      5.49101556    -10.26747790
  H     14.95375624      5.38291335    -10.26105835
  H     18.80648413      6.96773236    -10.67790338
  O     17.04788383      6.02613726     -7.58712823
  H     12.66928423      5.83861888     -9.32460607
  H     20.18669982      7.61298458    -10.93262509
  O     17.29957437      9.49352687    -11.96558082
  H     12.10385583      5.38454620    -10.68376876
  H     14.25939028      7.04244422     -8.61623710
  O     10.52317376     10.43016234     -9.83578424
  H     17.70123091      5.55178103     -9.32682480
  H     15.27481684      5.96324115     -8.19043344
  O     16.21799542     10.22099397     -9.45470211
  H     17.10045681      5.18344001    -10.68734913
  H     12.45992858     11.46199202    -12.41518770
  O     13.33055947      8.73722486    -11.39058517
  H     17.41254957      5.75011671     -6.75070482
  H     13.99683241     11.29500658    -12.75998978
  O      9.89439497      7.68030016    -10.20736058
  H     17.36954168      6.93234225     -7.74784345
  H     10.67257776      8.05768563    -13.30914983
  O     12.36764491      7.27698455    -13.50855243
  H     16.71178149      8.74264190    -12.14326215
  H      9.83869582      8.21299177    -12.02619690
  O     14.34689700     12.20853371     -9.55303908
  H     18.11123829      9.08880724    -11.63647798
  H     10.34860197     10.27106924    -12.81949435
  O     14.68603945      8.06772964    -14.95384731
  H     10.54817777     10.79236493    -10.72801019
  H      9.96075180     11.74810497    -13.05832036
  O     19.26984621      7.81920716    -10.76988714
  H     10.31723207      9.49124988     -9.93062992
  H     11.65375096     10.79404394     -8.58691462
  O     14.44343973      6.09124001     -8.66394955
  H     15.68139836     11.02768878     -9.46965711
  H     11.91848504     11.25829221     -7.13372689
  O     13.35176442     11.42866310    -12.04885711
  H     16.56859564     10.08086181    -10.34323111
  H     12.56946214      5.61552860    -12.85847745
  O      9.94692345      8.56270045    -12.92039709
  H     13.41905174      8.66154794    -10.43328714
  H     12.25489571      4.10209594    -12.89388397
  O     10.61179506     11.19060634    -12.64013300
  H     13.33418056      9.68227936    -11.59582037
  H     15.13104725      9.89947161    -14.30427049
  O     12.34745236     10.91895536     -7.91417026
  H     10.61851934      7.04921545    -10.05621355
  H     16.12144381     10.43290348    -13.24500234
  O     12.71422288      4.77359253    -12.39560124
  H      9.12904903      7.32055219     -9.76501612
  H     13.40085731      9.44586344     -8.29915533
  O     15.35090805     10.67407301    -13.77514341
  H     13.00879563      7.54212378    -14.17854484
  H     14.80384345      9.24049084     -8.93244489
  O     13.98332277      8.78378214     -8.69112961
  H     12.58927355      7.78474743    -12.70947456
  H     15.54576595      6.58802054    -12.01564821
  O     15.52880950      7.45724053    -12.43248776
  H     13.98571925     12.05993119    -10.43904269
  H     14.78874169      7.94117350    -12.03359070
          69
 Energy    -248.74466616292159     
  O     12.49107251      8.92589382    -17.60487290
  H     11.61930850      8.89952774    -17.17170141
  H     16.51928728      8.26523172    -12.20453241
  O     13.90209420      8.38296121    -15.21340992
  H     12.40709669      8.43760692    -18.41999632
  H     14.67838902      7.69798988    -13.62790731
  O     14.11315308     13.83758968     -8.67599613
  H     14.38098356      9.21055598    -15.03568752
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  H     13.91298362     14.41899896     -7.94747468
  H     12.46897973     13.54940309    -11.34915143
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  H     13.21893423      9.71510279    -11.55938341
  O     12.33916697     11.79407533     -8.81451019
  H     12.46170874     10.88644341    -17.59494225
  H     17.60027596     10.27215298    -12.94421175
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  H     11.81912330      8.84105710    -12.84839393
  H     17.60417665     11.82503869    -13.05596768
  O     10.92065839     12.51353858    -11.27108577
  H     12.39140587      8.75646811    -14.28146585
  H     10.63621989     11.90131946    -14.64156141
  O     13.50568146     12.86800091    -15.27991438
  H     13.88205583      8.75487150     -7.86488732
  H     11.40603464     10.81450682    -13.84747195
  O     17.33291610      8.67575713    -11.85893555
  H     14.52833105      9.55165180     -9.02371042
  H     16.47077043     11.91783687     -9.64844927
  O     14.97909516      7.61855011    -12.71330096
  H     13.99370355     12.10203023    -11.83552066
  H     15.81457145     13.25629532     -9.25889516
  O     13.38429545     13.85372326    -11.39579804
  H     14.52336120     11.04092002    -12.86087474
  H     16.01596773     10.88173642    -14.37060219
  O     12.80849262      8.87521097    -11.29590323
  H     12.69340645     10.89986032     -8.73849936
  H     14.68080572     11.52035022    -14.94416801
  O     17.57980076     11.00691038    -13.56895365
  H     11.83508320     11.83735858     -9.63524149
  H      9.15459599     12.45248451    -16.74016459
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  H     17.15160443     13.31277889    -11.28231272
  H     10.60563913     11.91657022    -16.80673738
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  H     18.19032422     14.07618824    -12.13232779
  H     16.49760583      9.61450377    -10.50296319
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  H     15.31789094     10.58802930    -10.69453562
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  H     14.43854570     14.33869778    -12.80964357
  O     15.88153298     10.17777696    -10.01798016
  H     12.77046107     12.58659871    -14.71972735
  H     15.89869278     14.07813597    -13.20668673
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  H     14.04312501     13.49331652    -14.76963331
  H      9.84827450      9.95916272    -16.23389050
  O     10.15350827      9.04487289    -16.18652108
  H     18.00710219      8.00174278    -11.87687553
  H     10.47922769      8.92143629    -15.28411176
          69
 Energy    -248.74448523421847     
  O      0.35753358      2.28314440      3.13169797
  H     -0.04576216      1.89181644      3.91577092
  H      0.21237861     -3.18720775      4.23283406
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  H      1.21260573      1.85535422      3.00280852
  H     -3.36771126      0.77783214      3.32408046
  O      0.09897965     -1.34249774      4.35478813
  H     -0.40142606      2.99075006      1.75889959
  H     -3.40960369     -0.62930642      3.97288731
  O      1.03205955     -2.69768889     -2.95136204
  H     -0.87490397      4.26539276      1.01769360
  H     -3.19707430     -1.26989129     -0.00504073
  O     -2.89833473     -1.22309408     -3.38131224
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  H     -2.70798674     -2.72529550      0.28952852
  O     -0.18234941     -0.29641979     -3.32255352
  H     -0.35489901     -1.20409848      3.51032439
  H     -1.70503902     -3.85182445     -1.71445506
  O     -2.01715450     -4.79245239      2.75997512
  H      1.62111380     -2.87056708     -3.68087191
  H     -0.76095089     -3.39186348     -2.83509850
  O     -2.93751679      0.25289076     -0.99456101
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  H     -1.60431490      0.11376517      1.99848642
  O     -0.35372196      1.38660221     -1.05357595
  H     -2.55225120     -2.09271723     -3.11162844
  H     -1.76249172     -1.34744970      1.58647442
  O     -3.61684479     -2.35874083      3.33292118
  H     -3.52330441     -1.38156771     -4.08352104
  H      1.24910029     -1.96912697      0.07727349
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  H      1.88795654     -1.39914099      3.97673071
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  H      2.82935645     -2.25023441      3.10306789
  O     -3.27378337     -2.01025078      0.61006988
  H     -2.33421903     -5.62426299      3.10240455
  H      0.37223767     -0.40529970      1.08090962
  O     -1.69182574     -3.54331552     -2.62985086
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  H      1.81171224      0.19121080      1.12087019
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  H     -2.04375451      0.62324670     -1.01935668
  H     -1.14307910      1.42113837      6.21592234
  O      1.21475303     -2.90866884     -0.15895360
  H     -0.50294229      2.15498296     -0.48964424
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  H      3.67886033      1.38988421      2.46950108
  O      1.17528536     -0.25832137      0.55302270
  H     -3.74681594     -2.20590692      2.38534698
  H      2.89429951      0.13160814      2.91883162
  O     -0.96581726      1.05005917      5.35623149
  H     -3.11982483     -3.18170909      3.36519210
  H     -1.59307240     -4.36413420      1.00622468
  O      2.81338869      0.99091983      2.46539812
  H      3.14628114     -4.52509290      1.86466955
  H     -0.50215827     -3.65610717      0.13878137
  O     -1.40287610     -4.00531836      0.12892514
  H      2.08849375     -3.57911645      1.25460557
  H     -3.16599892      1.08982954      0.72982499
  O     -2.93023270      1.46314579      1.58889618
  H      1.08782358     -4.09993737      3.34732017
  H     -2.34631377      2.20996998      1.40594379
          69
 Energy    -248.74431921416181     
  O     17.46146414      5.36575974    -16.22155035
  H     16.52461162      5.41419114    -16.44518058
  H     17.64102839      4.72265037    -12.53181308
  O     16.95739264      6.06380747     -9.09885167
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  H     18.77722893     10.64284620    -14.16035280
  O     13.74951241     11.01435823    -10.35427677
  H     17.29781264      5.80218452     -9.96344842
  H     17.39856283     10.90073474    -14.82412402
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  H     17.10149597      7.01486392     -9.00987498
  H     16.15780741      9.72560796    -11.86890969
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  H     14.06584735     10.75757737     -9.47895916
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  H     13.09653554     10.34903253    -10.60071911
  H     14.59306695      5.06620094    -15.59963814
  O     14.38393964      5.27474397     -8.91003912
  H     20.66140906     10.56092573    -12.43512726
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  H     19.26611927     10.60330137    -11.76902409
  H     14.08220118      9.11178609     -8.03863359
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  H     14.45132806     10.19217762     -6.99150013
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  H     18.25035104      2.94910625    -14.30915777
  H     14.47287030      5.02285789    -10.76033488
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  H     11.18647466      8.75594733    -11.42244761
  H     15.66568686      5.19717258    -11.73388484
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  H     15.06659387     11.44795775    -11.45169964
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  H     15.61775360     11.46241460    -12.92081403
  O     16.19920383      8.76540417    -11.76211096
  H     14.29671720      4.58240266     -8.25997691
  H     16.64332100      8.79463538    -10.00765299
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  H     14.07793348      6.62485359    -12.31659683
  H     16.25007929      9.26352615     -8.58743467
  O     14.64843110      9.88779232     -7.87316632
  H     14.72786791      8.02144083    -12.21324421
  H     14.98513011     11.44389399    -15.41877171
  O     14.70786969      5.05241459    -11.69531781
  H     17.42774048     11.44427251    -10.93765664
  H     15.16680809     10.00423130    -14.90295282
  O     15.87195560     11.50865401    -11.99192412
  H     17.92227702     10.43275834     -9.87549595
  H     14.48759715      7.97555331    -14.23146128
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  H     12.65132978      8.03717107     -9.38146886
  H     14.70140128      7.41363077    -15.65062086
  O     15.40394366     10.92898034    -14.73194168
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  H     18.31274627      7.75189739    -13.76078154
          69
 Energy    -248.74425414594424     
  O     12.55055385     11.35846542    -16.06949807
  H     13.07641600     11.65748406    -15.32198764
  H     15.77721088      5.88655056    -16.44740164
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  H     15.39997577      7.95277325    -13.65464313
  H     18.33709844      9.28346327    -12.55878586
  O     16.36692985     12.42353327    -15.16312776
  H     16.11782889      7.76467753    -12.29855897
  H     16.53713997     11.11633929    -16.34994639
  O     13.28472243      7.75706501    -16.67922407
  H     16.85317678     11.96177735    -11.98411257
  H     15.74551041     10.25703423    -17.39005252
  O     12.26142888     10.63605627     -9.33636841
  H     15.38225508     11.55060618    -12.24365126
  H     14.28364132      8.64681509    -15.41479847
  O     12.89430903      7.57340347    -12.29884357
  H     17.08187032     12.50968626    -14.51918934
  H     15.58538065      9.47509381    -15.49311594
  O     14.14754982     11.42681413    -13.61457238
  H     15.56167282     12.31457412    -14.64410730
  H     11.04888591     10.13644624    -13.66604662
  O     16.94725679      6.19939046    -15.17319821
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  H     10.84043012      8.96163200    -14.63044184
  O     13.20765805      7.92437117     -9.51409632
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  H     15.99664851      7.85436423     -7.99540085
  O     18.44320951      8.56057257    -15.83410666
  H     11.75411757     11.10045694     -8.67656778
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  H     13.19414293     10.88415875     -9.20303776
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  O     18.83867126      9.73977963    -13.24660866
  H     12.37865882      7.31575642    -13.07234617
  H     10.91824815      6.40788842    -14.98975868
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  H     19.09089364     12.88213473    -12.89351580
  O     14.93223162      9.11980257    -14.87762678
  H     13.39360235     11.18505641    -13.05733165
  H     18.57803913     11.44540332    -13.16913196
  O     10.73628216      9.91693471    -14.55371860
  H     14.42628008     10.60236597    -14.04554319
  H     16.66998543      9.81411056    -11.35570610
  O     15.78439941      8.36761484     -8.77015671
  H     16.53264115      6.40045714    -14.32400233
  H     16.72980618      8.65022572    -10.34353064
  O     11.47690113      7.13343222    -14.72169868
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  H     15.30734851     10.24512853     -8.83627427
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  H     13.02504008      7.66720179    -10.42725730
  H     15.34915994     11.38661170     -9.87290960
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  H     12.75405709      8.76552869     -9.37921672
  H     12.08385203     10.48922146    -11.17463920
  O     14.91811156     11.10036754     -9.05627432
  H     19.21137469      8.48398410    -16.39622350
  H     12.44183240      9.35451525    -12.16822982
  O     12.15598887     10.27842228    -12.11311361
  H     17.83011991      9.16392341    -16.28514691
  H     13.66426673     10.49331576    -18.89487242
  O     13.94290311     10.16054980    -18.04587101
  H     15.26409029      4.95889303    -17.56267296
  H     13.42940456     10.64574517    -17.37283116
          69
 Energy    -248.74417370003647     
  O      1.22121154      2.07090796      2.88514541
  H      0.53736806      2.46537697      3.44054213
  H     -1.47460759     -2.82336477      3.63787898
  O      0.68594901      2.96581248      0.20734521
  H      1.06145906      2.37537093      1.98394862
  H     -5.24876692      0.75384536      4.38693784
  O     -0.58024550     -1.27589139      4.19629954
  H     -0.27853261      2.99689747      0.07245396
  H     -4.32094533     -0.25957898      3.68173951
  O      1.06597139     -3.82933447     -2.49766228
  H      1.03431225      3.79245390     -0.11716887
  H     -3.03974804     -0.66448220     -0.43633614
  O     -2.07807354     -1.34915306     -3.78949034
  H     -0.94240749     -0.85406872      3.40027504
  H     -2.93388172     -2.10487501      0.14778665
  O      0.75779376     -1.26905215     -3.32263810
  H      0.37119134     -1.12663758      4.15135713
  H     -0.86461874     -3.90714411     -2.52650198
  O     -2.70027829      2.27564260      2.47802776
  H      1.64089271     -4.30003437     -3.09501511
  H     -2.05038267     -3.80944804     -1.54796457
  O     -2.06246166      0.38008430     -1.58517074
  H      1.03693165     -2.90543753     -2.80555995
  H     -1.70286289      0.76888566      2.01770100
  O      0.74294316      0.46594545     -1.12020061
  H     -2.61094191     -1.45225445     -4.57315444
  H     -2.09747512     -0.56573350      1.34584057
  O     -4.20818456     -1.78853928      2.87808606
  H     -2.07011574     -2.21255596     -3.33865279
  H      1.00157470     -3.85479339     -0.64920178
  O      0.12442424     -5.28545259      2.57061672
  H     -0.15629337     -1.20470085     -3.62530042
  H      0.96324323     -2.87730236      0.56663466
  O     -1.95079879     -3.53862731      3.19420146
  H      0.86157026     -0.59398377     -2.63819972
  H      1.58413433     -0.99716188      1.87136339
  O     -4.35484638      0.62873428      4.07956150
  H     -3.36508143      1.77332837      2.96772019
  H      0.17026294     -0.80317607      1.29206802
  O     -3.38026977     -1.25091849      0.25260358
  H     -2.12084040      2.68348459      3.13484018
  H     -0.88495627      3.73960934      5.14499356
  O     -1.81087317     -3.72090598     -2.47856570
  H     -1.11493635      0.38113305     -1.38925518
  H     -1.22022281      2.23685730      4.97521098
  O     -1.38812993     -0.12240657      1.82869613
  H     -2.16482070     -0.10838672     -2.41178865
  H     -1.44032726     -0.00968164      5.26911452
  O      0.79887221     -3.79188519      0.29231404
  H      0.97498089     -0.14061995     -0.40268048
  H     -2.81322886      0.68752111      5.19421046
  O      1.04783437     -1.16326427      1.08673601
  H      0.83402152      1.35479567     -0.75669707
  H      2.91648122     -0.34484304      4.02122756
  O     -0.89986835      3.03048824      4.50812941
  H     -3.56569465     -2.47848322      3.08380671
  H      1.81352132      0.51303398      3.35166965
  O     -1.92739355      0.76916872      5.57013221
  H     -4.12437085     -1.61495142      1.93021917
  H     -1.03336073     -3.67788899      0.25957582
  O      2.08006497     -0.40010793      3.56814706
  H      0.46606557     -4.84317292      1.77799022
  H     -2.14140626     -3.66481688      1.31268149
  O     -1.99389241     -3.62295788      0.35877319
  H      0.28950653     -6.21659703      2.44282922
  H     -2.39696973      2.72015246      0.69875713
  O     -1.99123960      2.85378528     -0.16877944
  H     -1.30307152     -4.25225362      3.10217867
  H     -2.20103662      2.07632341     -0.70169171
          69
 Energy    -248.74411654886018     
  O     14.25049209      9.45671017    -10.74930857
  H     14.27129293     10.09869224    -11.47282975
  H     16.55291488      3.85683907    -12.12600677
  O     14.75263679     11.35508203    -16.55739628
  H     13.47978498      8.88101347    -10.86925336
  H     11.96451191      7.68460253    -12.19768729
  O     17.43118032     10.60640477    -12.90932166
  H     14.69742052     12.10463115    -15.95214170
  H     12.75981357      6.74928528    -11.26884532
  O     12.86246348      5.28526544    -14.17997518
  H     14.23992154     10.64711642    -16.14538960
  H     18.72834839      7.31537722    -14.38350202
  O     17.60924293     12.74452042    -14.72729724
  H     17.74454749     10.45387577    -12.01089545
  H     18.81215069      6.81086986    -12.93251656
  O     15.69143588      7.51187478    -12.20026465
  H     16.46625981     10.66490354    -12.88196361
  H     15.93768277     13.24935141    -14.56430130
  O     14.62338713     10.97864211    -13.00966701
  H     13.23076471      5.18283600    -13.29151372
  H     14.79168983     14.28338750    -14.43744115
  O     18.30863375      7.37030322    -11.23975677
  H     13.58409538      5.09388427    -14.79032280
  H     14.30097942      8.69429702    -15.05725625
  O     18.31897070     10.02748020    -10.27267562
  H     17.69591767     12.25630391    -15.55554101
  H     12.79365923      8.83255750    -14.72161997
  O     17.05324994      4.39949670    -13.66463405
  H     17.70488586     12.08326156    -14.02754412
  H     17.61922448     11.16129190    -17.92764003
  O     15.20327543      5.04849207    -15.76912666
  H     16.60712298      7.45346879    -11.89780211
  H     16.45205458     11.08983198    -16.91499515
  O     16.22068577      3.58117476    -11.25042538
  H     15.24993174      8.20049910    -11.68847777
  H     11.97212900      6.76772471    -14.17851806
  O     12.31959092      7.60862069    -11.30375849
  H     14.64696339     11.86349985    -13.39353966
  H     10.62568949      7.51120192    -14.34875785
  O     18.84055642      6.51799420    -13.85447714
  H     14.22601787     10.39874006    -13.67591138
  H     14.62779769      4.61853840    -11.41930543
  O     14.97156559     13.34883475    -14.48605756
  H     18.06418264      6.73709949    -10.54815665
  H     14.64542797      6.09012068    -11.85246645
  O     13.57467044      9.33235983    -14.98732919
  H     18.43082270      8.23487145    -10.83200502
  H     16.93180309      4.80121233    -10.06265281
  O     17.41816002     11.00833902    -17.00832123
  H     19.00649120     10.49827340     -9.80859476
  H     16.55775638      5.72104086     -8.89266109
  O     11.53213132      7.63209354    -14.07840094
  H     17.54734028      9.99336849     -9.68072535
  H     15.66551343      7.49527670    -13.97351584
  O     14.04806564      5.35715471    -11.63449750
  H     17.72220933      5.09078550    -13.77845673
  H     16.52507814      8.05130988    -15.13254046
  O     17.26757319      5.51326966     -9.49726271
  H     16.43896017      4.48975382    -14.40030972
  H     15.35956119      9.71266429     -9.41987428
  O     15.69567590      7.59600144    -14.93782378
  H     15.39796695      5.97986178    -15.56283522
  H     15.63737906     10.06009611     -7.94569483
  O     16.06929724      9.85209576     -8.76957258
  H     15.38533847      4.92748975    -16.69745086
  H     17.91353374      9.51786765    -14.30803646
  O     18.05372634      9.00747050    -15.11950996
  H     16.32500597      2.63498345    -11.20452708
  H     17.95635366      9.63176223    -15.84912257
          69
 Energy    -248.74400946599917     
  O     -0.73341170     10.70356130      1.00964975
  H     -1.61209369     10.88917574      1.36049249
  H     -3.65166867     12.55145031     -1.20967012
  O      2.00260902     15.20887017      1.57836427
  H     -0.56295080     11.35776714      0.31167806
  H      2.70218918      8.18459621      1.31198255
  O     -0.90976026     12.91059660     -3.52741728
  H      2.61450045     14.53697767      1.24976972
  H      2.52874120      6.67783100      1.00377404
  O     -3.28874990     11.55435137     -2.77658799
  H      1.57829716     15.61251984      0.81308671
  H     -0.93671144      9.73985656     -3.49576793
  O      3.39828592     12.85491470      0.87124559
  H     -0.45787140     12.19801653     -4.00070265
  H     -0.95199097      9.15759089     -2.07001609
  O      3.26158041      9.44921373      2.37383121
  H     -1.81935304     12.61321218     -3.39633977
  H      3.70768752      8.38748050     -0.57174429
  O      5.25677117     10.75560599      0.75346614
  H     -2.71934675     10.76806540     -2.70252331
  H      3.63789454      9.37069109     -1.74997039
  O      0.39362621      8.89904529     -0.75232133
  H     -4.04288331     11.29480195     -3.30044690
  H     -0.34634193     15.84928547     -0.35180296
  O     -0.07883035     12.51145776     -0.90032724
  H      2.71084748     12.41135217      1.38999847
  H      0.23542792     17.26069064     -0.60071054
  O      1.25764658     14.79266473     -2.87996519
  H      4.14671991     12.24501583      0.84604639
  H      1.51842009      9.75631302     -1.94087971
  O      1.46538011     11.59359033      2.46984877
  H      2.62191598     10.15434871      2.54341879
  H      2.33736348     11.04020408     -2.31990178
  O     -3.77600488     13.10911728     -0.43164805
  H      4.02612695      9.87861218      1.97157037
  H      0.69250193     10.38287826     -5.48199992
  O      2.44903252      7.54685968      0.62005441
  H      6.20774065     10.68931297      0.76936950
  H      1.06778099     10.42637391     -3.98246264
  O     -1.52526218      9.48486967     -2.77437892
  H      4.94708916     10.16548227      0.04318415
  H     -2.44300621     14.30137900     -0.16625522
  O      4.23479075      9.01815026     -1.07807127
  H     -0.02498664      9.44416156     -0.07041998
  H     -0.95448315     13.92880542     -0.19790083
  O      0.46401948     16.33431094     -0.58612481
  H      1.02666691      8.32798866     -0.29991328
  H      1.22312832     14.53558198      2.97537745
  O      2.11757505     10.13675119     -2.59987034
  H      0.87353193     12.56214651     -1.04473467
  H      1.14028532     14.42412301      4.51704226
  O      0.35883306     10.61898103     -4.62061938
  H     -0.47177965     12.58432368     -1.78023392
  H     -1.74196629     14.27115244      1.87921762
  O     -1.56253086     14.64186388      0.04932605
  H      0.98106365     15.38682575     -2.17102124
  H     -0.98274306     13.92528295      3.17517993
  O      0.81207572     14.04119385      3.70796484
  H      0.46244365     14.34067080     -3.18780796
  H      2.28145048     13.49325139     -2.17121755
  O     -1.84278288     13.85357048      2.74540395
  H      1.20744566     12.35089798      3.00913064
  H      2.96385761     12.86430601     -0.88414668
  O      2.57708241     12.67299585     -1.74846515
  H      0.66889876     11.26265650      2.03244071
  H     -3.82889124     11.35614584      2.63742179
  O     -3.18972118     11.63754214      1.98862593
  H     -3.70154593     12.52802103      0.33533672
  H     -2.74657819     12.42645905      2.35295621
          69
 Energy    -248.74394361323147     
  O     -6.34493681      1.72369192      0.55662704
  H     -6.47139618      2.03892241      1.46113516
  H      0.79066725      0.80655389      3.00084630
  O     -4.52439704      2.03288082     -3.46411311
  H     -6.17197986      0.77413632      0.62487405
  H     -0.31879572      4.27747478      0.21705325
  O     -6.36141528      2.41059508      3.27235386
  H     -3.83694116      2.57027896     -3.03735617
  H     -1.63752972      5.02396614      0.49474434
  O     -1.55797805     -1.90732008      2.40051529
  H     -4.44890193      2.19748717     -4.40158775
  H     -4.94699076      2.79891783      0.17397051
  O     -3.17114402     -0.97162778      0.30666744
  H     -5.53011632      2.88256186      3.46049153
  H     -3.71293227      3.27966265     -0.69351765
  O     -3.78862560     -0.54833084     -2.39730453
  H     -7.02405986      2.78196433      3.84865347
  H     -0.83600927      1.10876350      0.44854438
  O     -5.87415002     -1.03623677      0.76940298
  H     -2.07444731     -1.62416385      3.16503539
  H      0.38978295      0.17387427      0.61858499
  O     -2.51025614      3.22869016     -2.06359375
  H     -2.11741683     -1.75827490      1.62647341
  H      1.98765285      3.38007988      0.60430772
  O      0.90288819     -0.86830750      2.06329229
  H     -2.93073098     -0.09997490      0.65742355
  H      0.80891276      2.38539849      0.50665812
  O     -1.21706781      0.84453727     -2.47214196
  H     -3.28176083     -0.86786073     -0.64695261
  H     -6.73678747     -0.50399091     -2.09654126
  O     -3.09490282     -0.86078351      4.55295543
  H     -4.63026883     -1.01748138     -2.33303802
  H     -7.10933914     -1.95861404     -2.47562323
  O      0.60070763      1.68019302      3.36618065
  H     -4.00986700      0.31485801     -2.77043708
  H     -1.10036309      1.71873905      3.90786557
  O     -1.07153098      4.69845323     -0.21474260
  H     -6.22066747     -1.33103293     -0.08035130
  H     -2.33563496      0.82549739      4.28922028
  O     -4.17100755      3.37335711      0.15292817
  H     -4.90869595     -1.08855896      0.69003531
  H     -5.82768209      0.59319257      3.47969907
  O      0.00729966      0.84854876      0.04355948
  H     -1.98896321      2.42804929     -2.23192701
  H     -5.76020149     -0.68739674      2.62029247
  O      1.10492324      3.21080471      0.92642769
  H     -1.96154701      3.81965185     -1.52781239
  H     -2.98070270      2.18499616      0.93032383
  O     -6.48136994     -1.43764315     -1.98274236
  H      0.03763366     -1.29075310      2.21548464
  H     -2.30561418      1.57309003      2.19769431
  O     -2.06574575      1.70307512      3.99189096
  H      1.56198550     -1.54959829      2.16125747
  H     -3.62270841      4.73038605      1.11244560
  O     -5.51520253     -0.31949239      3.47870986
  H     -0.69992152      0.71685957     -1.66428302
  H     -3.60661520      6.22711539      1.50362250
  O     -2.39699264      1.48375377      1.24027097
  H     -1.88557289      0.15195439     -2.49062556
  H     -6.18624546      1.63049681     -2.62463233
  O     -3.16796469      5.39411004      1.66234892
  H     -3.22395541     -1.29319241      5.39306928
  H     -6.86761761      1.54726509     -1.23897829
  O     -6.93122321      1.23743833     -2.15267094
  H     -3.98153363     -0.69406552      4.18503890
  H     -3.30420615      3.03470615      3.96211438
  O     -4.02147209      3.65679957      3.77429997
  H      0.81168108      2.31112972      2.66823131
  H     -3.65654727      4.32633457      3.18512385
          69
 Energy    -248.74390418830734     
  O     11.44571948     10.65749240    -13.90524182
  H     11.93416100     10.44054467    -14.71184676
  H     18.75863681      9.74736636    -15.41578589
  O     16.27005567      7.21082800    -13.94796714
  H     11.83655273     11.47189225    -13.56922431
  H     14.43868414     12.79279303    -16.08770754
  O     16.83526409     10.15769271    -10.67012423
  H     15.75969755      6.88611563    -13.19407689
  H     15.32871799     12.87681531    -14.85074318
  O     16.65857390     11.78806459    -14.28729387
  H     17.20691573      7.11165063    -13.74187211
  H     14.32370051      9.69040530    -14.62508235
  O     13.15487357      7.18982282    -16.59368793
  H     17.51669098     10.59596808    -11.19572346
  H     15.43183386      8.82095708    -13.93916421
  O     15.30454751      8.45840493     -8.89140904
  H     15.99185890     10.53314792    -10.95836196
  H     11.11566229      9.23611119    -12.99323798
  O     14.59862410      6.50226835    -11.85673655
  H     16.07544697     11.03839000    -14.08785633
  H     10.04896529      8.30710406    -12.36501647
  O     14.31784548     10.96439325    -11.63350051
  H     17.36398583     11.77541048    -13.63202927
  H     17.57580938      6.99699024    -10.47171601
  O     17.18144540     10.34860249    -16.66577269
  H     13.00035653      6.93447459    -15.66589260
  H     17.67147164      8.48912142    -10.85505060
  O     16.21946382      6.00636886     -9.58405956
  H     12.68137783      6.56180753    -17.13204542
  H     12.03463411      7.19380894    -13.52185113
  O     15.95664119      7.86826829    -16.60376338
  H     14.45364385      8.52465635     -9.34619471
  H     13.33440215      6.39953148    -13.31746563
  O     19.25492275      9.66922538    -14.59543013
  H     15.88001603      9.10993688     -9.31150333
  H     18.99027129     10.69148924    -13.20121961
  O     14.48978844     13.19694636    -15.21620796
  H     15.12431885      6.14504413    -11.13148306
  H     19.51624057     11.79189276    -12.25053141
  O     14.96766006      9.66647501    -13.90661343
  H     14.12410858      7.26156689    -11.48842918
  H     18.79080052      7.30245212    -12.48155420
  O     10.98742522      8.40404609    -12.50192918
  H     13.84458656     11.74604937    -11.93833496
  H     19.63504399      6.38780364    -13.40839496
  O     18.11528935      7.63627879    -10.95124660
  H     14.50163663     10.44236160    -12.43322547
  H     14.84090094     11.75356206    -18.51099709
  O     12.67318410      6.63262363    -13.97946782
  H     16.75635223      9.47588183    -16.61689875
  H     15.68443509     11.13559730    -17.37801292
  O     18.74156153     11.27798658    -12.46383828
  H     17.04346751     10.82035734    -15.83165605
  H     13.48654136      9.51212854    -10.96758414
  O     19.02007405      7.11590212    -13.41147796
  H     15.88848689      6.84842015     -9.21980250
  H     12.32596540      8.52100843    -11.20288904
  O     14.81105014     11.50259171    -17.59110281
  H     16.27361199      5.39370386     -8.85613978
  H     12.53353878     13.83016257    -12.80486928
  O     13.15037439      8.63925431    -10.71551674
  H     15.04522634      7.61529988    -16.78476365
  H     13.42029273     13.09453475    -13.83389518
  O     12.88278886     12.97225946    -13.03116576
  H     16.13469442      7.50656491    -15.72359083
  H     13.05672348      8.99592204    -16.33176155
  O     13.10719327      9.90560964    -16.00882129
  H     19.20827125      8.74608574    -14.31335622
  H     13.62519193     10.42105976    -16.63935911
          69
 Energy    -248.74389456310655     
  O     16.27034836     10.40081683     -8.93994751
  H     16.71336402     10.61859797     -8.12451943
  H     14.05756933      8.60280639    -14.52761502
  O     12.09110166      6.50003924    -13.11786080
  H     16.70702921      9.60471995     -9.29249388
  H     14.84442240      5.46343177    -15.62697646
  O     17.60690672     10.19456397    -15.00482734
  H     12.74533588      6.03394088    -13.65117786
  H     14.02968980      6.65647395    -15.11742155
  O     17.35465475      8.57840990    -12.77906653
  H     12.53015426      6.72141680    -12.28402611
  H     15.74603978      5.86613801    -13.78414592
  O     16.80789315     12.48798167    -13.58376059
  H     16.85681853     10.09267742    -15.60684359
  H     17.28751107      5.67772455    -13.88980701
  O     13.61977449      7.36207046    -10.94928129
  H     17.45297373     11.01666294    -14.52110210
  H     14.25585149      8.47650463    -12.22545117
  O     15.38119296      9.97318108    -16.74358090
  H     17.55216317      9.09322725    -13.57193149
  H     15.57816228      9.05449156    -12.79820377
  O     14.51053738     12.13738656    -15.28029448
  H     17.13878730      7.67518431    -13.05012076
  H     14.46904339      9.86435064     -9.15130099
  O     16.14951357      5.42469743    -16.91433632
  H     16.43519090     12.31948947    -12.70022766
  H     13.20928615     10.40692894     -9.83973333
  O     11.07421592      8.73974826    -14.29366848
  H     17.26921612     13.32114939    -13.52740528
  H     13.44079790     10.36631284    -13.15691061
  O     15.95773994      5.78756490    -10.60388110
  H     14.37040494      6.81105457    -10.69854252
  H     11.99192728     10.32181644    -13.67678750
  O     13.64516198      8.39017889    -15.38128794
  H     13.54516075      8.09040976    -10.31290850
  H     19.33283501      5.02552724    -15.32594590
  O     14.30275848      5.75828356    -14.88008218
  H     14.74697936      9.34279652    -16.36838219
  H     18.68519253      6.40529183    -15.59084922
  O     16.57444081      5.92395529    -13.28627016
  H     15.09122553     10.83706991    -16.41669224
  H     16.94850376      7.35327159    -10.04798800
  O     14.62030049      9.06507215    -12.90061819
  H     15.24852416     12.35649795    -14.69773554
  H     17.51571332      8.43464574    -10.97607368
  O     13.57077282      9.62238473     -9.41112106
  H     13.79636181     11.84189651    -14.70313247
  H     16.60009029      8.16170210    -19.14026698
  O     12.67646226     10.92776816    -13.36938581
  H     16.23639165      6.25072480    -17.40510343
  H     16.17758549      8.75101901    -17.77817115
  O     18.51654763      5.51086215    -15.24319107
  H     16.98156897      5.31867706    -16.43773345
  H     15.98989195     11.53858834    -10.41390376
  O     17.38127528      8.21411761    -10.04243695
  H     10.17590655      8.59101104    -14.57570768
  H     14.73667968     12.15709120    -11.04906926
  O     16.63407660      8.00396524    -18.19975939
  H     11.35787428      7.93097098    -13.82891034
  H     18.15313367      7.97271407    -17.06953999
  O     15.69239811     12.08175767    -11.15386436
  H     16.02445641      4.89475473    -10.27439256
  H     18.58641837      8.79738703    -15.84843032
  O     18.77104889      7.97965017    -16.32665592
  H     16.21167178      5.75874749    -11.54203464
  H     12.67067609     11.69293885    -11.77029271
  O     12.84268259     12.00887844    -10.86733358
  H     12.70015322      8.53404541    -15.25497486
  H     12.20999908     12.70067043    -10.69219824
          69
 Ord_Energy   -248.743835    
 O   -4.67836142     -0.598703742       1.89318943    
 H   -5.22942019      0.164152607       1.66991484    
 H   -4.66871977      -1.20415926       1.14230263    
 O   -2.56402183       3.21845007       1.70058143    
 H   -1.86685944       2.56789875       1.55513346    
 H   -2.74373007       3.19297528       2.64969015    
 O   -4.74395752      -2.54009533     -0.171428129    
 H   -5.17101669      -3.23070073      0.358467609    
 H   -3.81367397      -2.77481532     -0.271218807    
 O   -5.83946896       2.07740426       4.19270515    
 H   -5.95045805       1.40077043       4.86901951    
 H   -4.92104292       2.36758566       4.27305222    
 O   -6.25308752     -0.951328814      -1.76644301    
 H   -5.71298313      -1.58414018      -1.25931334    
 H   -6.42940140      -1.35616708      -2.61198115    
 O   -6.29902077      -1.71748734       3.82350540    
 H   -7.07623672      -2.04595447       3.35467434    
 H   -5.73173428      -1.30074143       3.15675831    
 O  -0.691930532       1.05575013       1.56671262    
 H   0.249587163       1.16926765       1.47540259    
 H   -1.00263989      0.586793065      0.768643677    
 O   -1.65280819     -0.264575779     -0.528075397    
 H   -1.74088407      -1.22299027     -0.501419544    
 H   -2.47701430       9.48604494E-02 -0.890245259    
 O   -5.87410879     -0.177290097       6.00212240    
 H   -6.11473513     -0.768998921       5.26730537    
 H   -6.50838852     -0.325450987       6.69898558    
 O   -7.91890287     -0.516346157      0.490913838    
 H   -7.46453047     -0.636515796     -0.351815969    
 H   -7.52697992      0.273573905      0.888442039    
 O   -4.48015738      -3.85816050       3.89861345    
 H   -4.05559969      -3.89173460       4.76725101    
 H   -5.13106632      -3.14494443       3.95111895    
 O   -8.25588703      -2.65794635       2.09682226    
 H   -8.17605209      -1.89518273       1.49444568    
 H   -9.17836380      -2.89616442       2.11775136    
 O   -3.11647820     -0.691623390       6.01961660    
 H   -2.82745695     -0.557476461       5.10571766    
 H   -4.06116343     -0.481320888       6.05684996    
 O   -2.20672059       1.82357287       6.91276836    
 H   -2.45022917      0.898675919       6.75557089    
 H   -1.58870411       1.81542635       7.63921690    
 O   -6.38287163       1.55308223       1.56169808    
 H   -6.28775358       1.80437398       2.49371624    
 H   -5.89982367       2.19737387       1.02955019    
 O   -4.70098257       3.19839931       4.30639386E-02
 H   -3.92191887       3.24297309      0.626252353    
 H   -4.80970812       4.06623077     -0.336408049    
 O   -5.96436167      -4.30975342       1.50056589    
 H   -5.45921326      -4.35700750       2.32274842    
 H   -6.79961920      -3.87439871       1.71288538    
 O   -2.01077032      -3.07331157     -0.136331409    
 H   -2.01014566      -3.07583642      0.838417649    
 H   -1.47598410      -3.81086087     -0.416261613    
 O   -3.05994320       2.48504472       4.35436726    
 H   -2.86741853       1.60878098       3.99586940    
 H   -2.74184823       2.46591187       5.26691628    
 O   -4.02439451      0.830144942      -1.41018283    
 H   -4.28753853       1.65610838     -0.987194538    
 H   -4.83483696      0.341592818      -1.59129369    
 O   -2.43376541     -0.147729605       3.35084867    
 H   -3.22517776     -0.283402503       2.80314088    
 H   -1.74802434      0.239477456       2.78870869    
 O   -2.16918302      -2.94040132       2.55866742    
 H   -2.94692063      -3.32651997       2.98411179    
 H   -2.10584331      -2.04112387       2.89588141    
 O   -3.18806887      -3.48243666       6.32431889    
 H   -3.09739137      -2.51751947       6.30441189    
 H   -2.38988805      -3.81328249       6.72977304    
          69
 Ord_Energy   -248.743790    
 O    5.63319111       3.89931870       12.9476652    
 H    6.12872219       4.24852800       13.6830282    
 H    5.50977182       4.63212442       12.3165722    
 O    6.90506124     -0.564995766       11.0913086    
 H    6.04412842     -0.990732551       10.9179344    
 H    7.34642839      -1.09080517       11.7521105    
 O    2.11903763       3.35437489       5.79715395    
 H    2.90545011       3.30737448       5.24063635    
 H    2.39333224       3.77149987       6.62475395    
 O   0.743648171       1.08651090       6.37202501    
 H  -0.185901403       1.21164882       6.20173168    
 H    1.19502807       1.90113771       6.08378458    
 O    5.12022305       5.74396896       11.0225296    
 H    4.16047335       5.79680681       10.9381351    
 H    5.43022585       5.30739546       10.2162609    
 O    4.46198797      0.267243236       4.66400003    
 H    5.22868490     -0.286435932       4.47051859    
 H    3.71503568     -0.303451687       4.90326262    
 O    2.37954640       1.43554509       8.61189842    
 H    2.53334332       2.39113998       8.55873203    
 H    1.71591496       1.22032034       7.94689941    
 O    2.96677423       4.12997007       8.38692284    
 H    2.61339855       4.60738754       9.14798164    
 H    3.92867231       4.12059402       8.49285507    
 O    5.70794249       4.02603531       8.88406372    
 H    5.82927895       3.27124000       9.47879791    
 H    6.08848667       3.79283857       8.02815342    
 O    6.04417133      -2.50676012       6.80682516    
 H    6.27470970      -2.22332287       5.91544390    
 H    6.54836988      -1.92556024       7.39363480    
 O    3.28351831      0.967635155       11.1325598    
 H    4.16674948       1.34806573       11.0177927    
 H    2.83368897       1.07716787       10.2809286    
 O    4.44865131      -1.52245212       10.5236292    
 H    4.11257172      -1.82169807       9.67126751    
 H    3.89629078     -0.778404772       10.7992630    
 O    2.41784191      -1.12468100       5.74157429    
 H    2.69696283      -1.56164634       6.55570793    
 H    1.76445198     -0.454616398       5.97902870    
 O    2.26902533       5.35460615       10.8112011    
 H    2.38917279       4.63128233       11.4526548    
 H    1.55149364       5.89278316       11.1340790    
 O    7.18681145     -0.433221608       8.29487324    
 H    7.25033617     -0.491142511       9.25362396    
 H    6.33802414      -5.91289997E-03   8.09514046    
 O    5.88122511       2.04683590       10.8549852    
 H    6.36239481       1.22426975       11.0090847    
 H    5.92179632       2.58547449       11.6574659    
 O    6.31843996       2.93080211       6.40730619    
 H    5.82869768       2.21595120       6.84561062    
 H    5.79781055       3.14634275       5.62439680    
 O    2.82468057       3.34810424       12.5588989    
 H    2.82590795       2.46315217       12.1697226    
 H    3.72590137       3.49928355       12.8680744    
 O    4.47753572       2.95579696       4.24181175    
 H    4.55395794       3.15855265       3.31298447    
 H    4.45414782       1.98481989       4.31742001    
 O    6.84229708      -1.15754414       4.38819695    
 H    7.40571451      -1.48315108       3.69185710    
 H    7.35316467     -0.484003514       4.87347412    
 O    4.86049747      0.805057049       7.43595171    
 H    4.67306042      0.523768485       6.53057718    
 H    4.01416349      0.949259818       7.87460136    
 O    3.57788038      -2.53277087       7.96048641    
 H    4.44790125      -2.56326294       7.52305317    
 H    3.28684878      -3.43882895       8.04156399    
 O    8.08168507      0.717810094       5.91290712    
 H    7.66047955       1.58309495       5.98023510    
 H    7.98525620      0.316448271       6.78879786    
          69
 Energy    -248.74371588204855     
  O     18.78197975      9.57243080    -14.54177856
  H     18.22479630     10.29797668    -14.84628400
  H     12.86546391      9.03203487     -8.96913272
  O     14.40602088      7.04846750    -10.92024742
  H     18.64338946      9.50531607    -13.58750615
  H     15.32077897     12.32026286    -12.65668781
  O     12.47525171      9.56689365    -13.99607378
  H     13.50301930      7.23405026    -11.21599872
  H     16.74450963     12.28066657    -12.04800911
  O     13.68477754     11.49652869    -12.30592684
  H     14.81412187      6.45948002    -11.57011549
  H     15.04102277      8.54693728    -11.70100455
  O     13.45030652      5.70169936    -16.29909598
  H     13.35629527      9.56970982    -14.39487755
  H     14.84198392     10.07199317    -12.01073407
  O     15.47803774      5.56885661    -12.96375755
  H     11.97232501      8.90604921    -14.49621298
  H     18.69783260      7.94222533    -15.12951480
  O     15.14941083      9.45640283    -14.86528071
  H     13.24619744     11.73277379    -11.47893470
  H     19.35263755      6.74913636    -15.86709817
  O     15.31502470     11.11626975     -9.08050378
  H     13.06879713     10.99995765    -12.85933069
  H     11.12393707      6.54105022    -12.41500917
  O     13.12722467      4.39051253    -13.76046408
  H     13.53121918      5.33246483    -17.17505600
  H      9.95223527      5.53635470    -12.49335102
  O     12.87164842     12.07331563     -9.69720866
  H     14.31384360      6.08952072    -16.07991330
  H     17.32877272      5.98709711    -12.52611613
  O     14.66707579      8.38883686     -8.55413926
  H     15.62253543      6.05455242    -13.78632631
  H     18.42686138      6.49225450    -13.47066515
  O     12.07622991      9.36731634     -9.41130585
  H     14.70349937      5.01092108    -13.13146205
  H     11.85234888      8.48791741    -10.93602632
  O     16.24380339     12.55537496    -12.82466368
  H     15.31803082      9.35448065    -13.91498477
  H     12.12737484      8.55993760    -12.48283728
  O     15.42657013      9.31445760    -12.14082759
  H     15.69055193     10.19986462    -15.15598993
  H     11.01965468      6.79588796    -14.54906879
  O     18.59034657      6.99944908    -15.35246747
  H     15.22420573     10.17528936     -8.88275947
  H     12.04505358      6.85751429    -15.68881774
  O     10.77090099      5.78487989    -12.91464407
  H     16.15262658     11.23040760     -9.54372293
  H     17.99834082     10.64258005    -10.95121829
  O     18.18777149      6.42701548    -12.53797907
  H     12.30378191      4.75379713    -13.41239463
  H     18.52628394     11.89995630    -10.22578434
  O     11.93084231      7.96407234    -11.74735931
  H     13.17955071      4.70417354    -14.67235369
  H     15.55642971      7.79214738    -15.34271822
  O     11.36605695      7.37521550    -15.23862879
  H     13.77236445     11.81267090     -9.42620393
  H     16.76328229      6.83432429    -15.54483426
  O     17.73319560     11.49748071    -10.57168960
  H     12.66045677     12.87675421     -9.23039561
  H     16.99100009     12.32177928    -15.89035679
  O     15.80089651      6.86397308    -15.47488357
  H     14.65524227      7.82408206     -9.34527771
  H     16.70799377     12.00822852    -14.40163773
  O     16.91695947     11.60665696    -15.26456457
  H     14.91372175      7.82778598     -7.82301455
  H     17.15544814      9.20754203    -11.94611600
  O     18.11354670      9.10030544    -11.82812907
  H     12.19448809     10.32388788     -9.46296871
  H     18.27591075      8.15170934    -11.92650345
          69
 Energy    -248.74357041269161     
  O     11.10277153     11.20714634    -12.34620845
  H     10.58298687     10.82275541    -13.06319487
  H     18.04405825      6.42020205    -14.73221828
  O     13.51843510      7.68233504    -15.33154889
  H     11.93834655     11.48855690    -12.73912575
  H     16.54327948     11.63987779    -15.24564340
  O     17.40000722     10.25564880    -10.59982909
  H     14.07797338      7.58913450    -16.11137506
  H     16.07665896     13.06305544    -15.62436389
  O     17.41625085      7.86911229    -15.61412625
  H     13.01127126      8.49974872    -15.44208064
  H     15.45730570      9.02268113    -12.97820988
  O     12.25427810     10.11375067    -15.57677098
  H     17.62548476      9.41343808    -10.18500822
  H     14.84214844      8.21837970    -14.17092959
  O     15.65187512      6.48172688    -10.01186098
  H     18.06474403     10.39383301    -11.28548114
  H     10.40155410      9.56860162     -9.71297153
  O     12.97600657      6.32032142    -12.98303093
  H     16.81742075      7.82299357    -16.36964982
  H     11.01391291     10.02395608    -11.06006776
  O     14.90588079     10.15500080    -11.68193834
  H     16.85992209      8.10522023    -14.85123529
  H     18.90504536      7.48992956    -11.32399052
  O     15.32914657      7.92805482    -17.52188673
  H     12.70219392     10.62101434    -14.88216450
  H     18.98597414      6.89280977    -12.75669145
  O     15.76540392      5.71800445    -12.70346556
  H     11.34267110      9.98149147    -15.28993406
  H     11.17980907      6.99613733    -12.78490649
  O     17.93041030     10.62149699    -15.03623913
  H     14.85121545      7.01912165    -10.06059454
  H     10.50372520      8.02982734    -11.85709976
  O     18.27494810      5.70826226    -14.11188178
  H     15.72753807      6.05310590    -10.87560995
  H     20.28192736     10.56276665    -12.50961013
  O     15.75684582     12.18968493    -15.41236213
  H     13.79147065      5.82267421    -12.84896665
  H     19.41276938      9.28451379    -12.54473188
  O     15.63219444      8.32900943    -13.62455228
  H     13.06836962      6.72632426    -13.85847462
  H     17.18345523      7.21282604     -9.72825929
  O     10.92778785      9.26989845    -10.44938162
  H     14.40464262      9.45583367    -11.24148801
  H     18.40867418      7.39522277     -8.80350770
  O     19.32926209      7.58878368    -12.18680116
  H     15.75368545     10.26626826    -11.22637020
  H     14.95337403     11.10142093    -16.74179415
  O     10.41123599      7.57342811    -12.70329139
  H     15.06734613      8.86729428    -17.50412324
  H     13.58523237     10.41254007    -16.86584608
  O     19.39310565     10.25179930    -12.66174332
  H     15.24727194      7.63780169    -18.42630294
  H     13.22871566      7.46173095    -11.50904785
  O     18.05590278      7.63909747     -9.65491405
  H     16.57768516      5.42349997    -13.12750478
  H     12.55809295      8.42588665    -10.49547507
  O     14.45618095     10.47436208    -17.28129912
  H     15.70689583      6.66005731    -12.93135596
  H     14.06980570     11.10905710    -12.90304793
  O     13.39842018      8.01444057    -10.73370346
  H     18.43732564     10.57024994    -14.21557545
  H     14.33192260     11.88199308    -14.21549366
  O     13.62767205     11.55083777    -13.64477602
  H     17.89954731      9.72142542    -15.38023182
  H      8.87870196      9.57713518    -14.63415638
  O      9.79216356      9.63165797    -14.36746001
  H     18.86288800      5.11982850    -14.57916136
  H      9.97757923      8.83967788    -13.83149064
          69
 Energy    -248.74340685538999     
  O     -4.61687595      3.79957973      1.73486701
  H     -3.94952842      4.36882930      2.14863280
  H      1.83405451      2.23064448      4.40236762
  O     -2.59141282     -3.08928833      2.40540927
  H     -5.46751463      4.14804096      1.99281008
  H     -2.88588319      1.26760019     -1.86324475
  O      0.15892726      2.08552109     -2.67167199
  H     -1.67292719     -3.38304699      2.40755748
  H     -1.77524746      2.13342711     -2.49126655
  O     -2.91403214     -0.22541175     -0.70229418
  H     -2.60609325     -2.24883548      2.88406034
  H     -1.36977044     -3.08297716     -0.58787601
  O      1.50782965      0.45342421      5.04945469
  H      0.52061384      2.71972313     -2.02820652
  H     -0.19474320     -2.13527844     -0.90139654
  O      1.11100233      3.83137353     -0.81434205
  H      0.50732481      2.33327875     -3.52427520
  H     -0.95247516      3.01763089      3.04872575
  O     -0.99046874      2.31096859      1.39361769
  H     -3.20750723      0.23225237      0.09771332
  H      0.08033703      3.55053177      4.05277765
  O     -1.29054139      1.16527849      5.40703905
  H     -3.14232912     -1.15716324     -0.59866289
  H     -2.55231688      1.57823452      1.49952913
  O     -3.25710573     -2.96751063     -0.22074947
  H      2.03541611     -0.08518032      5.63440141
  H     -4.02233929      1.98930467      1.68683651
  O     -2.33781510     -0.51632388      3.49741660
  H      1.17436919     -0.13580038      4.35291368
  H     -1.97447778      4.76964659      3.35991421
  O      0.35738239     -1.04540006      3.04118216
  H      0.41337673      4.39019307     -0.44367016
  H     -2.57296657      6.19572144      3.37919157
  O      1.82673081      3.13197291      4.05492015
  H      1.70555236      3.61354503     -0.08828074
  H     -0.00139426      0.44800248     -1.84237500
  O     -2.72016487      2.11182322     -2.30118968
  H     -0.21237818      1.78529245      1.17862440
  H     -1.12828160     -0.24398575     -1.03113072
  O     -0.40725976     -3.01208332     -0.55588833
  H     -0.95562014      3.13962703      0.89817082
  H     -3.29386288      3.57963236     -1.44181335
  O     -0.87115285      3.51789724      3.87467327
  H     -0.36062242      0.92733987      5.49688574
  H     -3.99891158      4.09706383     -0.15728589
  O     -3.44919258      1.21896544      1.61063250
  H     -1.28206611      2.04280530      5.00267475
  H      0.95846101     -0.00911064      1.69493685
  O     -2.57031720      5.37807740      2.88800444
  H     -3.94364003     -3.59410809     -0.43204212
  H      0.79423232      0.22190319      0.16120045
  O     -0.18350084     -0.28738376     -1.24321646
  H     -3.10513859     -3.02675573      0.73975346
  H      0.69372403     -4.44473779      2.04554825
  O     -3.45985993      4.37090476     -0.90581678
  H     -2.82879033      0.04942800      2.88720137
  H      0.07062421     -3.42704246      1.05929891
  O      1.18885677      0.58372513      0.96718320
  H     -2.10122195      0.02790759      4.26315139
  H      2.28279768      1.94173984      1.18467429
  O      0.22857423     -3.61405957      2.00284279
  H     -0.58229668     -0.84104859      3.15830279
  H      3.66848721      2.62729205      1.14274380
  O      2.74600132      2.78514109      1.33127414
  H      0.41450995     -1.96156944      2.74118106
  H     -1.92443042      4.80948427     -0.19265198
  O     -1.14291510      4.92782052      0.37317735
  H      2.19049075      3.08583634      3.16251775
  H     -1.47369706      5.27307911      1.20736366
          69
 Ord_Energy   -248.743332    
 O    3.22765088       9.54387283      -15.6439562    
 H    3.97049451       10.0103941      -16.0160789    
 H    3.04931331       8.78349686      -16.2270145    
 O    1.39150655       7.53491592      -9.36860371    
 H    1.08787334       6.84680557      -8.76325893    
 H   0.728821397       8.23703861      -9.40453339    
 O   0.391099036       9.91141510      -15.4620752    
 H   0.215829477       9.87785435      -14.5136127    
 H    1.35245514       9.94885731      -15.5464544    
 O   -3.88213897       7.17296696      -12.4530487    
 H   -2.98465466       7.17823410      -12.8310671    
 H   -4.46600151       7.52059746      -13.1218443    
 O   0.102704637       9.33345699      -12.6879206    
 H   -9.27101523E-02   9.51579380      -11.7627649    
 H  -0.454971969       8.58154583      -12.9425898    
 O   0.666400373       5.08117533      -8.03063202    
 H   0.996800184       4.52728701      -8.75957775    
 H   0.959940195       4.67055130      -7.22141552    
 O    1.58861542       3.69187951      -10.2350130    
 H    2.51979923       3.87420058      -10.4248734    
 H    1.28141356       3.04869413      -10.8883562    
 O    3.03107882       3.62051582      -13.4597521    
 H    2.30893922       3.04719067      -13.1754770    
 H    3.52379990       3.84930658      -12.6624279    
 O    2.47164226       7.36965322      -17.0742588    
 H    2.46068907       6.70935011      -16.3654251    
 H    1.54642916       7.50715399      -17.3096085    
 O   -3.12993526       4.44429684      -11.8673048    
 H   -3.55737090       5.28214931      -12.0800486    
 H   -2.80353665       4.55034113      -10.9655704    
 O   -1.73876059       5.33547068      -9.53683758    
 H   -1.14401591       5.15880346      -8.80086040    
 H   -1.14441383       5.54113340      -10.2747316    
 O    2.60195208       8.18019295      -13.2517672    
 H    1.76311088       8.59190273      -13.0030365    
 H    2.94738984       8.68855190      -13.9962845    
 O  -0.522809148       5.66734791      -15.5315542    
 H  -0.582181215       6.33774900      -16.2232628    
 H   0.410940021       5.64337492      -15.2655001    
 O  -0.574158609       9.48453331      -9.90032673    
 H   -1.39522743       8.95966721      -9.91162968    
 H  -0.769993305       10.2909460      -9.43029118    
 O   -1.30215228       7.06493235      -13.3134165    
 H   -1.11119127       6.63578224      -14.1572256    
 H  -0.778880477       6.59294319      -12.6468868    
 O    3.66286755       7.04063797      -10.9377623    
 H    3.40052938       7.46160030      -11.7679768    
 H    2.99832582       7.30186176      -10.2873707    
 O   -2.76232195       7.90914583      -9.95650673    
 H   -2.51519227       7.02487326      -9.65385342    
 H   -3.27928877       7.76969385      -10.7593307    
 O  -0.358824641       7.93905354      -17.2083035    
 H  -0.165616095       8.65939331      -16.5822868    
 H  -0.848258674       8.32768345      -17.9284725    
 O    2.11716437       5.83718729      -14.7709494    
 H    2.25797391       6.57304525      -14.1620779    
 H    2.48482752       5.03969097      -14.3651295    
 O   0.282396317       5.94004440      -11.3963099    
 H   0.722061634       6.59451532      -10.8375120    
 H   0.750626743       5.11189938      -11.2433472    
 O   0.787811220       2.16722560      -12.4133606    
 H    7.82574266E-02   2.65592194      -12.8706465    
 H   0.622861266       1.24134183      -12.5684385    
 O    4.17793226       4.40780687      -10.9632158    
 H    4.04883718       5.37440777      -10.9636440    
 H    5.07628012       4.24880981      -10.6881657    
 O   -1.14810133       3.55448866      -13.6368189    
 H   -1.05243647       4.18647146      -14.3568335    
 H   -1.88337147       3.85092878      -13.0812321    
          69
 Energy    -248.74290051038867     
  O     13.40784357      5.13920769    -16.08781908
  H     14.05426050      4.77532746    -16.70405763
  H     17.54384513      7.73461190    -16.52309245
  O     18.30667064      6.26599158    -12.15472019
  H     13.69221125      4.90287020    -15.19450605
  H     15.39472131      7.33437816    -15.74851226
  O     16.34493168      6.85677786    -18.88947541
  H     19.16188822      6.28284069    -12.60561524
  H     16.41438500      7.56812029    -14.59279116
  O     14.66218294      6.08420341     -9.83207858
  H     17.84686052      7.08088390    -12.39172479
  H     13.69333658      8.61895468    -13.30910423
  O     14.31330175      4.73733582    -13.42901125
  H     15.72685889      7.59886157    -18.91227303
  H     14.17905043      9.86010634    -14.09306973
  O     16.83262863      8.54196713    -13.04175599
  H     17.15086559      7.20466424    -18.49441839
  H     16.74899853      3.59881590    -10.30630778
  O     17.26645909      4.58525151    -15.98417641
  H     14.22146247      5.26059074    -10.07833684
  H     16.61123144      3.08728219    -11.74512366
  O     13.68608949      3.59709419    -10.91122760
  H     15.58489148      5.85091760     -9.67279587
  H     13.43502015      6.88722578    -16.25550973
  O     19.36384861      8.84623658    -14.46900828
  H     15.24327420      4.47123853    -13.43709728
  H     13.46014264      8.30007298    -15.53693259
  O     15.41851469      4.41058723    -18.06469500
  H     13.92347084      4.32288510    -12.64876382
  H     21.55458407      6.67392015    -13.50477623
  O     19.78453058      5.79587175    -16.38002941
  H     16.55169811      9.39225715    -13.41034093
  H     20.29035943      7.43978699    -13.96786712
  O     18.31657362      8.01660397    -17.04062456
  H     16.03607776      8.12832597    -12.66826106
  H     17.48410942      4.78001475    -12.94237696
  O     16.27536965      7.10419951    -15.42479949
  H     16.71775766      4.30042230    -16.72428566
  H     17.19456681      4.02967448    -14.27000373
  O     13.45169113      9.23157619    -14.01696423
  H     16.91493206      5.45396804    -15.73067425
  H     18.07561873      5.47902150     -9.00246371
  O     16.31910855      2.91781632    -10.83822489
  H     13.10089636      2.92060959    -10.58162587
  H     17.80952647      5.66495764    -10.51189916
  O     13.70300130      7.81497384    -16.33841154
  H     14.59217547      3.24516346    -10.84516284
  H     14.17547738      8.61609745    -17.77885549
  O     20.62426768      6.56836333    -13.68753658
  H     19.08564689      8.71551128    -15.38406808
  H     13.86042365      9.38849300    -19.08537659
  O     17.02429503      4.01806685    -13.31808705
  H     18.55483780      8.88181802    -13.94677527
  H     14.43730665      6.47732802    -12.79462085
  O     17.43909054      5.30270728     -9.69128793
  H     15.25368494      3.86054559    -18.82611800
  H     14.54145713      7.02090202    -11.35351076
  O     14.57644462      9.05093783    -18.55439943
  H     15.72725477      5.26958947    -18.40332335
  H     15.98506161     11.70834707    -14.21049673
  O     14.56255755      7.28806651    -12.28341422
  H     20.14704852      5.89481428    -15.49300008
  H     16.13270549     10.62425131    -15.30310182
  O     15.89789410     10.77201771    -14.36989801
  H     19.00866867      5.22517778    -16.28738306
  H     15.87934652      9.97859175    -17.55692921
  O     16.57736713     10.26524346    -16.95378668
  H     18.95885851      7.29435669    -16.96329891
  H     17.31837329      9.66894087    -17.11442366
          69
 Energy    -248.74276070661406     
  O     -2.62667634      3.91917115      3.42813489
  H     -3.47556402      4.37505291      3.39537355
  H     -3.57032546      2.29503543     -1.01076638
  O      0.89055872      4.55839615      0.98576272
  H     -2.31462000      3.90098741      2.50989383
  H      1.43263808      1.65112367      1.81314378
  O     -0.82101226     -0.04369356      3.15427805
  H      1.61750560      5.02016635      0.57797229
  H      0.59686552      1.22814499      0.58626208
  O     -2.38248367     -2.33028289      0.17663569
  H      1.05822275      3.60514130      0.86808619
  H     -5.69271290      4.20503338      2.69883390
  O     -4.34413414      1.03336262      1.63586114
  H     -0.02278638      0.41417961      3.44521441
  H     -5.74798224      5.65169637      3.24301410
  O     -6.44123930      2.65455210      2.39699787
  H     -0.87262521      0.05954791      2.19299265
  H     -2.49813775      4.73747165      0.49406924
  O     -7.48298638     -0.49512725      0.79761398
  H     -2.45486517     -2.96373285     -0.53292164
  H     -0.94266600      4.45870657      0.72173962
  O     -3.07666315      1.25541387      4.08524502
  H     -3.29013385     -2.09316341      0.43247693
  H     -4.54607987      4.72113122     -0.44982877
  O     -5.08275415      3.22378965     -1.58540508
  H     -3.79100602      1.35419526      0.91295540
  H     -4.57387605      5.32543228      0.97801850
  O     -4.85888652     -1.62959447      1.17821341
  H     -3.84978327      1.09849644      2.46443258
  H     -4.58594020      0.29162371      4.63784769
  O     -4.47859955     -2.79219190      3.74120459
  H     -5.71619459      2.10377618      2.05971999
  H     -5.06198718     -1.16760986      4.47846853
  O     -2.82827108      1.94452780     -0.50280562
  H     -7.01447417      2.04672804      2.87967240
  H      0.44840068      4.34297698      2.87965269
  O      1.25832169      1.86320425      0.88735539
  H     -6.68024557     -1.02932728      0.80565379
  H     -0.75054258      4.05358909      3.81178440
  O     -5.18129964      5.02705530      2.79731556
  H     -7.63258442     -0.24324749      1.71736136
  H      2.11216853      1.51051404      4.36252076
  O     -1.83300020      4.09772082      0.79262064
  H     -2.90125863      2.20163141      3.98966939
  H      0.97766579      2.42005425      3.82977520
  O     -4.13045964      5.37886053      0.12192663
  H     -2.25931192      0.78483609      3.86925483
  H     -8.41526720      0.26346807      4.16082936
  O     -5.36119621     -0.28023196      4.71246912
  H     -5.33679539      3.41578140     -2.48436513
  H     -6.87864694      0.17982201      4.00614080
  O      0.21030369      3.98741509      3.74504317
  H     -5.84560011      2.78324895     -1.16981846
  H     -1.43704693     -1.79580358      3.19355330
  O      1.39283544      1.54355822      3.73813933
  H     -4.85771966     -2.06917144      2.03818995
  H     -1.92370567     -2.67746206      2.03127935
  O     -7.70063846      0.45198922      3.55888065
  H     -4.72707846     -0.68250977      1.34680678
  H     -1.57839849      0.73548703     -0.04075484
  O     -1.88068887     -2.63147984      2.99418001
  H     -3.52099352     -2.76835195      3.56539032
  H     -1.32507377     -0.76564212      0.20948358
  O     -0.95303913      0.11250667      0.35729987
  H     -4.67102237     -3.65517234      4.09793014
  H     -7.08293780      2.47376166      0.59090269
  O     -7.14408315      2.06950473     -0.28299064
  H     -2.40332685      2.70573804     -0.07513281
  H     -7.30142707      1.13281678     -0.09905959
          69
 Energy    -248.74268022558181     
  O     11.31375463     11.06664184    -16.25614451
  H     11.71319286     10.36490024    -15.73278382
  H     20.44063153      8.25395233    -14.44551663
  O     14.63359924      6.99882160    -11.99893398
  H     11.07494282     11.77451743    -15.64255580
  H     16.17038835      9.34990068    -10.42435443
  O     16.90370072     11.54471493    -13.83094301
  H     15.02504869      7.00227408    -12.88285176
  H     16.99388200      8.23578043     -9.73311103
  O     12.79323881     11.54639245    -18.47679437
  H     15.26978264      7.44436793    -11.42665406
  H     17.38259071     10.75996438    -16.87141255
  O     14.13584816     11.39889591    -13.84535050
  H     17.20210488     10.66688640    -13.55597132
  H     15.84490935     10.65846564    -16.78421151
  O     13.93809256     14.51697631    -12.14131294
  H     16.86483281     11.54414478    -14.79776364
  H     10.98748222     13.17676698    -13.61820797
  O     12.18910276      8.04116981    -12.48809891
  H     12.19281724     11.41979087    -17.71969719
  H     10.01058184     13.82214938    -14.62645454
  O     13.52235722     13.91084886    -14.85240484
  H     12.24716617     11.63527107    -19.25292794
  H     14.43981636     10.80504049    -10.56317386
  O     16.50797872      7.68221330    -17.15063596
  H     13.88125535     12.27046958    -14.17631416
  H     15.71758827     11.67817354    -10.63533363
  O     12.84700984     10.64466236    -11.50192301
  H     15.09798345     11.39443706    -13.77616254
  H     14.08391451     12.76865697    -17.76350949
  O     15.55844317      7.65170122    -14.57865927
  H     14.76972522     14.09206209    -11.90533321
  H     15.46769163     12.71858351    -17.08080539
  O     19.76039070      8.80786638    -14.82020191
  H     13.89438361     14.48551545    -13.10767700
  H     16.87498395      8.47633498    -13.68372539
  O     16.61434356      8.49369470    -10.56849358
  H     11.49099316      7.44520782    -12.23053450
  H     17.34851346      8.76921291    -12.23233884
  O     16.59489451     11.23237143    -16.57393858
  H     13.03062845      7.61724719    -12.23918215
  H     17.18878695     13.69377568    -11.39791846
  O     10.77204437     13.25141127    -14.56602156
  H     13.92103051     13.80228089    -15.72835387
  H     16.68854705     12.66321183    -12.43270161
  O     15.36610209     10.84938297    -10.29005531
  H     12.56525688     13.82210413    -14.93453046
  H     13.88784527      9.34832817    -16.59251942
  O     14.70758491     13.29069850    -17.24364845
  H     17.30900002      8.20670747    -17.26434471
  H     13.90981274     10.18536327    -17.89217995
  O     17.55609856      8.92682551    -13.16176816
  H     15.77899159      8.25464863    -17.42862543
  H     12.32814486     13.67063678    -11.91229488
  O     16.44544865     13.13805236    -11.62127037
  H     13.29840638     10.97251031    -12.29614674
  H     11.82053623     12.24005839    -11.65024921
  O     14.43431516      9.57799880    -17.35520524
  H     12.52353952      9.76413786    -11.72172954
  H     19.16164034      9.28228458    -16.40532982
  O     11.54674464     13.10158665    -11.98615969
  H     14.73043840      8.12835424    -14.70410514
  H     19.42841391      9.58689135    -17.89841136
  O     18.73617677      9.52672852    -17.24509612
  H     15.93666665      7.51535998    -15.46020252
  H     12.65633196      8.71300421    -14.16220264
  O     13.08941246      9.15425863    -14.90396407
  H     19.04156245      8.82819207    -14.16859512
  H     13.47383326      9.97863564    -14.55787957
          69
 Energy    -248.74233446016689     
  O     14.46664551     10.42307478    -11.14128189
  H     14.48996193     10.80907312    -12.02675822
  H     16.26792778      4.36236054    -11.25840095
  O     14.63963330     10.18601887    -17.27190167
  H     13.64172125      9.92480466    -11.04374307
  H     11.92585452      8.47610924    -11.76556232
  O     17.54174237     10.32559359    -13.63616340
  H     14.72348560     11.09285550    -16.95157597
  H     12.74014332      7.81356058    -10.63859718
  O     12.96799594      5.77358055    -13.01658618
  H     14.14102164      9.71020328    -16.59539165
  H     18.62891769      6.74624426    -14.23307333
  O     15.30705556      7.74614795     -8.16318640
  H     17.89762145     10.43041792    -12.74663564
  H     18.89588692      6.71873802    -12.71896980
  O     17.80231718     11.68248902    -16.09780729
  H     16.60693817     10.57310768    -13.60807030
  H     16.22380666     12.44221105    -16.08742518
  O     15.71033424      7.99242672    -11.84759679
  H     13.28430581      5.78037515    -12.10655740
  H     15.23271794     13.61534169    -16.29142643
  O     14.81882053     11.07185629    -13.79402068
  H     13.73705954      5.97195847    -13.56742670
  H     14.12956286      8.16548652    -14.84222873
  O     18.41249133      7.71688487    -11.24741270
  H     14.76626628      7.75916597     -7.37595709
  H     12.69651522      8.67894705    -14.56643098
  O     18.50671499     10.50511559    -10.94092016
  H     14.79321264      7.28353975     -8.84053957
  H     17.35821237      9.16074244    -18.60876054
  O     16.72195404      4.67083525    -12.88968160
  H     17.76540144     10.94386470    -16.71839025
  H     16.26428225      9.61180841    -17.61018546
  O     15.97221980      4.25861157    -10.33481835
  H     17.89834212     11.28385314    -15.22196103
  H     11.82682841      7.06527615    -13.36035439
  O     12.36262564      8.65270404    -10.92272711
  H     16.65531626      7.92104520    -11.65564597
  H     10.45339184      7.67468564    -13.73775218
  O     18.93611028      6.17471879    -13.51902562
  H     15.39957695      8.87337985    -11.60650169
  H     14.64726991      5.53380065    -10.26004451
  O     15.28562095     12.70003410    -16.03156064
  H     14.89773226     11.75236340    -14.47361749
  H     14.69709943      6.93810821    -10.90609023
  O     13.53080661      8.90939651    -14.99252640
  H     14.34432919     10.33043316    -14.19663640
  H     17.14293114      5.50730548     -9.43781238
  O     17.20451364      9.37132107    -17.69177617
  H     18.26678421      7.23831498    -10.41709942
  H     16.92221341      6.77415791     -8.59458578
  O     11.34883724      7.90236482    -13.50109505
  H     18.63315244      8.63352385    -11.04736436
  H     15.40131722      7.23848267    -13.39065813
  O     14.13644520      6.34806225    -10.37248853
  H     19.15517631     11.11372726    -10.59711932
  H     16.06783047      7.10572149    -14.76925035
  O     17.59881243      6.27194985     -9.06390861
  H     17.79206127     10.45164565    -10.28088696
  H     15.68363511     10.45309136     -9.82455870
  O     15.28661454      6.83315650    -14.26732796
  H     17.59676212      5.04606015    -13.07495530
  H     16.14045226      9.41641930     -8.78797195
  O     16.42176637     10.21778034     -9.24104946
  H     16.13043073      5.15953431    -13.46774805
  H     17.61390780      8.77083147    -14.64727304
  O     17.56802438      8.01716656    -15.25345930
  H     15.99491665      3.32494953    -10.14378243
  H     17.52807467      8.38385780    -16.14485977
          69
 Energy    -248.74231650535086     
  O     14.48043666      5.72583214    -17.21483435
  H     13.72388675      6.31644912    -17.30131566
  H     15.03831607      7.05144717    -11.22858683
  O     14.40510156      5.58281010    -12.06602634
  H     14.20051047      4.98412549    -16.66559993
  H     14.07860087      7.72640617    -14.39226483
  O     18.03035296      7.24357763    -10.94229150
  H     13.70591821      5.01521461    -11.72049451
  H     12.94429872      8.11509127    -13.39382382
  O     14.28960097      3.44936108    -15.40897795
  H     13.98982656      6.18073598    -12.71009307
  H     13.27589450     10.48692150    -15.60687951
  O      9.98054720      7.71503346    -12.97405481
  H     17.11114183      7.46839085    -10.74826804
  H     14.23029350      9.41313764    -16.09631022
  O     12.27719025      7.61860824    -17.47469123
  H     18.37936342      7.98354501    -11.45382113
  H     11.95743612      3.97042842    -12.35666302
  O     18.82549445      9.24998015    -12.85090154
  H     14.56492460      2.64036299    -15.83557132
  H     11.89043515      3.27061993    -10.97752939
  O     11.20751974      6.36312833    -15.17902690
  H     15.01594538      3.70921277    -14.82033642
  H     10.65783065      6.96978631    -11.45128810
  O     18.67217118      5.03316558    -12.39265885
  H     10.55814090      8.48912392    -12.94917637
  H     11.44835342      5.77090718    -10.87270132
  O     19.05487156      7.04696242    -14.40971922
  H     10.19985662      7.24813089    -13.79002573
  H     15.62376974      4.83208379    -13.09867274
  O     16.82814006      6.18387078    -15.87609431
  H     11.98101953      7.83838480    -18.35457368
  H     17.12272384      4.50033624    -13.28286064
  O     15.28734471      7.91155765    -10.85897055
  H     12.60033329      8.44658917    -17.07974543
  H     12.62919910      3.66383986    -14.54319968
  O     13.38549308      7.36922386    -13.82355010
  H     18.93326767      8.51022048    -13.47618992
  H     11.44977762      4.65673339    -14.51158073
  O     13.39029932      9.84833303    -16.31347236
  H     19.62525879      9.76674906    -12.89652975
  H     12.43218144      9.08708395     -9.13115549
  O     12.14225125      4.08365960    -11.40604336
  H     11.98346959      6.65049346    -14.67126058
  H     12.19649895      7.95199861    -10.15704980
  O     11.18825639      6.68054584    -10.69366775
  H     11.35021298      6.72816385    -16.05919830
  H     16.06195958      7.75532341    -15.45287059
  O     16.26425396      4.45315673    -13.72069116
  H     19.32239795      4.51529637    -11.92556101
  H     15.84862848      8.91521293    -14.41568650
  O     11.81327260      3.87519879    -14.07327265
  H     18.42537276      5.76977297    -11.80474672
  H     12.35871427      9.41554829    -11.66256095
  O     12.75424758      8.72722812     -9.95293072
  H     18.40574251      6.81087137    -15.08552073
  H     12.68296034     10.27646423    -12.92480194
  O     15.51449222      8.51831122    -15.22948485
  H     19.06671935      6.30510094    -13.79234892
  H     14.75124221     10.87853188    -13.38330422
  O     12.14568737      9.54465692    -12.59613683
  H     16.65832758      5.58497337    -15.13583793
  H     14.16636749     12.28180009    -13.63796207
  O     13.95969928     11.35156997    -13.68826129
  H     16.10239564      6.04441705    -16.50377663
  H     17.05169272      9.72822240    -12.80036583
  O     16.08636618      9.76948342    -12.79971617
  H     14.49446338      8.24855151    -10.42422244
  H     15.77666519      9.14659451    -12.12647093
          69
 Energy    -248.74228607385052     
  O     -1.07276127     -2.42980053     -1.50862303
  H     -1.19249857     -2.38050845     -2.45311478
  H     -3.68924990     -6.77973531      0.62569843
  O     -3.02467074     -0.22038587      6.55395578
  H     -1.90218734     -2.78250294     -1.13794660
  H     -0.11468036     -5.84821451      0.62099080
  O      1.96327317     -0.50323766      1.68437620
  H     -2.23613426     -0.77795997      6.53417723
  H     -0.19071604     -6.53517074      1.99515512
  O     -2.04563883     -0.15107374      2.42186123
  H     -3.77346644     -0.82334519      6.64648972
  H      2.51048308     -3.62078639      3.42486374
  O      1.14120093     -3.84706456      6.89412730
  H      1.21299951     -0.41842410      1.06737978
  H      1.50116606     -2.83501311      4.24422067
  O     -5.08266093     -2.19024499      6.41875075
  H      2.51330864      0.26496913      1.55771567
  H     -0.46944765     -4.40374767      3.00157426
  O     -0.90330008     -2.03076683      6.11567655
  H     -1.30273945     -0.49759697      2.92926771
  H     -1.84168419     -3.75394006      2.71291850
  O     -0.89471725     -5.77022695      6.12740980
  H     -2.54641474      0.41869676      3.02173118
  H     -3.55660503     -4.94589625      2.40295832
  O     -5.58369403     -0.80422054      3.93030321
  H      1.80568199     -3.90332609      7.57677546
  H     -3.89553009     -3.43951611      2.65003026
  O     -0.27551238     -0.31324497      0.20371280
  H      1.61392829     -3.83904840      6.04585049
  H     -4.83732533     -1.53980298      2.46174884
  O      0.37658515     -5.84019770      3.69125813
  H     -5.69724016     -2.56967329      7.04178903
  H     -3.40558249     -1.31485812      1.93675163
  O     -3.22114400     -6.00552107      0.92690130
  H     -4.41947487     -2.87461032      6.22861915
  H      2.08987658     -3.65328746      1.07551783
  O     -0.56310051     -6.55549342      1.10394911
  H     -0.23177408     -2.57615767      6.54254830
  H      2.63457959     -2.31925850      1.59668963
  O      2.08518652     -3.60083461      4.29649618
  H     -0.50685197     -1.69721656      5.29869389
  H     -0.16538177     -2.19167752      3.23054753
  O     -0.89164032     -3.61562732      2.62953556
  H     -0.24574496     -5.19962300      6.55631704
  H      0.88347444     -1.03452042      3.06080035
  O     -3.55786849     -4.24556633      3.06830251
  H     -1.71612079     -5.26401338      6.09654328
  H     -0.06669068     -3.84845623      1.00263110
  O     -4.18547345     -1.87635464      1.82922676
  H     -5.02443124     -0.02711087      4.05215818
  H      0.05842501     -3.56240845     -0.50388377
  O      2.74917740     -3.27461308      1.67220349
  H     -5.52310734     -1.30010445      4.75577966
  H     -3.70488563      2.14505888      4.54635794
  O      0.23452897     -1.41700118      3.66643504
  H     -0.56677272     -0.99286041     -0.41656146
  H     -3.32420177      0.77665817      5.16362939
  O      0.45113289     -4.07179552      0.21429378
  H     -1.00389536     -0.15969528      0.81850789
  H     -2.29565991     -3.23895623      5.78216688
  O     -3.55361081      1.22853675      4.33152992
  H     -0.10529454     -5.96981209      4.52270205
  H     -3.21602271     -4.05954822      4.81040780
  O     -3.01898679     -3.88052342      5.74275768
  H      1.12067677     -5.26063841      3.89216311
  H     -3.30555104     -4.31951546     -0.00473125
  O     -3.30094776     -3.42251392     -0.35826339
  H     -2.28047482     -6.25050010      0.97980855
  H     -3.73169812     -2.86217522      0.30087563
          69
 Energy    -248.74187397708519     
  O     -7.47083344     -3.69444871      5.57719394
  H     -6.72486729     -3.22609931      5.96789205
  H     -4.11745905      0.85116136      2.32403563
  O     -9.36443789     -1.93266719      2.67742071
  H     -8.23639900     -3.11851183      5.72161058
  H     -6.49000224     -1.08321157      2.88749332
  O     -7.77062408     -4.26153295      2.97155184
  H     -8.61597278     -1.32688263      2.81150931
  H     -7.09759882     -0.19892466      4.02810356
  O     -4.86330166      1.00572635      0.63915277
  H     -8.99358026     -2.82152519      2.74532540
  H     -4.94746745     -2.01710710      7.36200901
  O     -7.20575142      0.20028557      5.84082938
  H     -7.94869445     -5.18892807      2.84193417
  H     -4.90874407     -1.82631803      5.82410255
  O     -5.17006635      5.35704193      2.46822308
  H     -7.62873339     -4.13196630      3.92849545
  H     -0.95999531      3.11452106      3.34513597
  O     -9.78926003      1.25977284      0.01480955
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  H     -2.40991420      3.49387326      3.73787675
  O     -9.42061218     -1.71912257      5.64023518
  H     -5.74343265      1.36903999      0.82539772
  H     -8.70717940      1.45758859      5.12567766
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  H     -6.67382030     -0.51632439      6.21456511
  H     -8.66092186      2.66815167      4.18145763
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  H     -6.59770383      0.94255523      5.69783918
  H    -10.46118659     -0.30948238      2.59816821
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  H     -5.61391917     -2.34372308      1.32237884
  O     -7.13199870     -0.38874119      3.08284045
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  H     -6.30357816     -3.24967711      2.39647965
  O     -5.50091033     -1.89364168      6.59570770
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  H     -8.98247360     -0.44206631     -0.19358658
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  O     -9.22999695      1.94922424      4.48609247
  H     -9.62482735     -1.72011381      4.69882128
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  O    -10.65580061      0.62584296      2.47420397
  H     -3.81818476     -0.79253411      4.01304061
  H     -4.24672623      3.65275392      5.01404824
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  O     -8.54084110     -1.28892257     -0.05034420
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  H     -4.92028402      1.67879738      4.37030441
  O     -3.64620335      4.32563321      4.66887935
  H     -4.03492401      2.73330129      0.71232071
  H     -8.18697662      1.68031645      0.82387740
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  O     -7.39115154      1.75181487      1.36343579
  H     -6.80572876     -1.42254364     -0.27919308
  H     -7.30138637      3.04247187      2.58268394
  O     -7.21441972      3.63184143      3.34813519
  H     -2.99305753      1.47043359      3.19690534
  H     -6.62752839      4.34645337      3.07307396
          69
 Energy    -248.74177844835012     
  O     -6.48203105      3.16477342     -1.67483952
  H     -5.78328991      3.82786939     -1.66413218
  H     -4.06322164     -1.10004671      2.18981647
  O     -2.82563442      3.34806005     -3.30727620
  H     -6.56913895      2.86861869     -0.75678794
  H     -1.45953980      2.60384805      1.47261493
  O     -6.28684706      2.18865230      0.89642104
  H     -3.09567421      2.42257155     -3.30681385
  H     -1.63438578      1.66091009      2.68607706
  O     -3.11546654     -1.31405191      0.63138807
  H     -1.94714796      3.36898602     -2.90375789
  H     -3.11894105      4.19313490     -0.24087698
  O     -0.81719486      0.41591806     -2.12956982
  H     -5.75172775      2.62949467      1.57230927
  H     -1.72680834      3.54727976     -0.36930094
  O     -3.60462416      0.57600433     -2.82653747
  H     -6.65655596      1.37777157      1.26622771
  H      2.96700043     -1.18630700      0.59241196
  O     -4.26487356     -2.15138104     -1.77918273
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  H      2.28712038     -0.21504440     -0.40539945
  O     -0.56111522      3.12218641     -1.64348199
  H     -3.43846598     -0.43190611      0.38785344
  H      0.86179994      2.12922402      1.74515365
  O     -0.51760219     -0.43369487      0.52163615
  H     -1.70065510      0.30789861     -2.49866288
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  H     -0.81369068      0.03111046     -1.24051316
  H     -6.95706678      1.04693339     -3.98137019
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  H     -2.94031772      1.17810305      4.79622441
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  H     -3.59151916      0.56051534      3.53611588
  O     -2.46074399      3.68275495      0.25140172
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  H     -5.90045149     -1.46939546     -1.27585651
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  H     -6.69272291     -0.25794028     -1.77912224
  O      1.76856663      2.14653333      1.41414814
  H     -0.62308508      2.16920085     -1.80874762
  H     -3.32477523      2.02696947     -0.00774075
  O     -6.34163569      0.97890128     -3.25648166
  H     -0.69467898      0.36697138      1.03589598
  H     -4.75620473      1.47004382      0.12304892
  O     -3.01353814      1.27903702      3.85076286
  H      0.42763277     -0.61202851      0.59210469
  H     -4.26635589      5.81126323     -1.87347329
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  H      2.16096130      1.49900194     -1.81135958
  H     -3.75466802      4.40507943     -2.27998065
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  H      1.12304261      0.43904896     -2.24258188
  H     -3.71626868      3.69344018      1.90158492
  O     -4.20374833      4.90727127     -1.57534623
  H     -6.96264711     -0.62336116      0.62486289
  H     -3.95210105      2.71405022      3.06112103
  O     -4.38766903      3.38332606      2.51671787
  H     -7.93384408     -0.78669353      1.81777852
  H      2.05120141      2.94600701     -0.11446801
  O      2.14609307      3.27642533     -1.02625466
  H     -5.48483827     -0.62695956      2.54180625
  H      2.85423952      3.91426926     -1.01926940
          69
 Energy    -248.74099383059342     
  O     -7.07392198      3.53206075     -1.16148998
  H     -7.27155012      2.75171805     -1.69460530
  H     -1.20643924      0.75395071      2.38573029
  O     -6.47703678      2.31975170      1.38410923
  H     -7.05454960      3.22824346     -0.24616083
  H     -2.11364746      3.55524255      0.07956233
  O     -4.46587775     -0.78783522      2.34813653
  H     -6.38734564      2.03844074      2.30308701
  H     -1.47185129      2.43398622      0.98898701
  O     -1.67819301     -1.55830849     -0.72784836
  H     -5.68204356      1.98712768      0.93377103
  H      0.08168868     -1.43641363      2.15842923
  O     -4.45069341      0.89920399     -2.38624480
  H     -5.10121847     -1.33199516      1.86507837
  H      1.36507082     -0.62179802      1.92025688
  O     -6.13821320     -2.18300064      0.59800459
  H     -4.95122841     -0.20338451      2.94473508
  H      2.53106180      1.68060643      1.48124071
  O     -4.36707030     -1.85416572     -1.41482789
  H     -1.61788454     -0.70122140     -1.17468907
  H      1.50298808      1.05457760      0.51077650
  O     -1.57766255      0.92504637     -1.99928962
  H     -0.80797554     -1.96962745     -0.79715687
  H     -7.46831362      0.62022286     -1.70905831
  O     -1.74333746     -0.93533693      1.99906278
  H     -4.40491863      0.97565901     -1.41757796
  H     -7.94815018      0.76038718     -3.17540203
  O      1.02103401     -2.32778042     -0.65198523
  H     -5.38896309      0.94012098     -2.61511546
  H     -2.43139743      2.32015042      3.44140347
  O     -5.65401836      1.23617381      3.88403246
  H     -5.51660317     -2.11790397     -0.15036558
  H     -3.61192564      3.29931259      3.18366990
  O     -0.88027314      1.65904263      2.50736174
  H     -6.46833658     -3.07747023      0.60764694
  H     -7.41218940      0.81152916      0.54397076
  O     -1.86735193      2.62342127      0.12782452
  H     -3.43246369     -1.91244443     -1.17143460
  H     -7.21709252     -0.69043905      0.22000020
  O      1.02076135     -1.52339112      1.94466137
  H     -4.45091339     -1.03858490     -1.92004379
  H     -3.41551252      1.71081216      0.37653933
  O      1.69057896      1.23135562      1.44972528
  H     -2.44896293      0.91717360     -2.41031097
  H     -4.16495834      0.47514177      0.98714898
  O     -7.25383523      1.01511190     -2.57362259
  H     -1.62439050      1.58062813     -1.28417266
  H     -3.51733116      4.73749739     -0.98399897
  O     -3.32170736      2.55009898      3.72677259
  H     -1.74139490     -1.14914177      1.05505622
  H     -2.71428776      6.00024200     -0.57918160
  O     -7.68129200      0.10874947     -0.05867982
  H     -2.66339934     -0.99516563      2.28743242
  H     -5.41979678      3.88441430     -1.79398643
  O     -4.22353547      1.18232481      0.33365669
  H      1.57875787     -3.08008544     -0.82807626
  H     -4.34357259      2.95962725     -2.37856256
  O     -2.98271428      5.13852386     -0.27360700
  H      1.09079528     -2.13827732      0.30128238
  H     -5.24815232      3.97557180      1.74894735
  O     -4.49746764      3.86369526     -2.09253911
  H     -4.79428380      1.69945537      3.89874455
  H     -4.01561672      4.77128222      1.26649034
  O     -4.45994662      4.43434237      2.05427296
  H     -6.00555411      1.28010215      4.76878926
  H      0.31853733      0.71666865     -1.59621041
  O      1.13497041      0.50251814     -1.12985543
  H      0.05904713      1.63155536      2.28551812
  H      1.18676314     -0.46173039     -1.11453528
          69
 Energy    -248.74092950046855     
  O     -6.00584060      2.58762587      2.11647739
  H     -6.01403404      3.24584325      1.40488699
  H     -4.48124589     -0.21805653      3.60069882
  O     -4.49177205      3.73051048     -2.42879717
  H     -6.74542264      1.97710866      2.02956742
  H      0.08484463      0.90440435      1.84627303
  O     -4.19244994     -1.61649196      0.84580325
  H     -4.98995040      2.90391904     -2.29898664
  H     -1.11543052     -0.00064259      1.48596512
  O     -1.79374302     -0.08792553     -2.32402675
  H     -4.90025775      4.18219456     -3.16340165
  H     -2.22691381      3.57845406      1.17989937
  O     -5.66541320      1.37404362     -1.77636166
  H     -4.77143715     -2.01320562      0.18341815
  H     -1.50073277      2.18380638      1.27025580
  O     -5.85228608     -2.49421192     -1.23289708
  H     -4.20952955     -0.65552035      0.70212649
  H      0.29378142     -1.50008854     -0.05128637
  O     -4.42367619     -0.90568553     -2.88640623
  H     -0.91570479     -0.28860340     -2.67065572
  H      1.49192894     -0.56060273      0.16573070
  O     -1.86437689      2.68827611     -2.02601423
  H     -1.85964497      0.87596214     -2.26771738
  H      2.44045432      1.68354738      1.09198660
  O     -1.54234916     -1.21111818      0.22611096
  H     -6.48160565      0.92182176     -1.51993859
  H      1.35933257      1.62336055     -0.01078315
  O      0.93753449     -0.51972699     -2.89251224
  H     -5.08729982      1.30254571     -1.00137833
  H     -2.37484861      0.27238676      4.89840076
  O     -7.56439263      0.24606456      2.15813838
  H     -6.07979411     -3.32975846     -1.63095742
  H     -2.05878089      0.63807191      3.43643294
  O     -5.23452417     -0.70325287      3.24786307
  H     -5.32766219     -2.00179715     -1.89108069
  H     -7.11753987     -1.08446435     -0.81227097
  O     -0.82192681      0.68965057      2.10114149
  H     -3.48150248     -0.72486882     -2.77581431
  H     -7.62002021     -0.11968923      0.28535572
  O     -1.94791482      2.80146944      0.67848317
  H     -4.87348184     -0.07600108     -2.67733820
  H     -3.40211065      1.69454504      0.54080574
  O      1.21274590     -1.34938391     -0.31462429
  H     -2.68446712      3.10940962     -2.30681883
  H     -4.80796600      1.55900365      1.16581183
  O      1.61665577      1.26454369      0.85746585
  H     -1.84164805      2.78002887     -1.05949907
  H     -3.35735409      4.39082018      2.77360606
  O     -2.76327906      0.63227067      4.10339591
  H     -2.40578422     -1.55245554      0.49286030
  H     -2.77912780      5.78515899      2.42284451
  O     -7.57656166     -0.24712195     -0.67046377
  H     -1.66543966     -0.81025643     -0.64654790
  H     -4.54151863      4.78196153      0.77721722
  O     -4.19176333      1.14121405      0.54881963
  H      1.46472487     -1.00471830     -3.52100008
  H     -5.00553736      4.33335390     -0.62647213
  O     -3.03941443      4.95153890      2.04157434
  H      1.11152755     -0.90736645     -2.01592930
  H     -4.78300879      2.98643273      3.37666641
  O     -5.31494180      4.50773330      0.26908938
  H     -6.76962641     -0.10334050      2.59932017
  H     -3.53506183      2.36491680      4.03784514
  O     -3.97243248      3.20557925      3.86201773
  H     -8.30395436      0.03356729      2.72193866
  H      1.00592851      1.26979756     -2.19945382
  O      0.90663809      2.06279754     -1.65727107
  H     -4.88172981     -1.20920461      2.50139581
  H      0.04166220      2.42652710     -1.88218698
          69
 Ord_Energy   -248.740829    
 O   -6.76861429       3.67034674      0.253164262    
 H   -6.96961117       3.99177361       1.15191543    
 H   -7.47975683       3.95900249     -0.311599255    
 O   -3.37875867     -0.575876713       2.59106231    
 H   -2.80907917       1.06680701E-02   3.10563040    
 H   -4.27044344     -0.480237544       2.94666600    
 O   -3.05205274       6.40307140       1.71891236    
 H   -2.51591587       6.76239681       1.00053751    
 H   -2.43047857       5.95499325       2.31502962    
 O   -3.43112445       4.49826717E-02  -4.82284017E-02
 H   -3.35926819     -0.219594315      0.886877418    
 H   -3.35489154     -0.753467441     -0.564476132    
 O   -6.16330338     -0.136733606       3.19995332    
 H   -6.20393181      0.228091434       2.29641390    
 H   -6.77804852     -0.865387440       3.23106241    
 O   -1.20878875       7.04265785     -0.287039399    
 H  -0.966942430       6.16960478     -0.645625710    
 H   -1.12373567       7.66515827      -1.00430596    
 O  -0.403199345       4.58808899      -1.12858880    
 H   0.428439349       4.41154003     -0.671077251    
 H  -0.957186759       3.81224346     -0.971915066    
 O   -1.38963974       4.77826166       5.85917807    
 H   -1.45809507       3.87794542       6.19649076    
 H   -2.30473781       5.08302927       5.77289820    
 O   -4.76667643       2.85189581       6.60121250    
 H   -4.62412548       3.76604176       6.31880093    
 H   -3.88175225       2.47989345       6.69394445    
 O    1.76331353       4.06385374      0.664629221    
 H    2.59567213       3.59875727      0.674201548    
 H    1.13759553       3.52935219       1.18266630    
 O   -1.06007695       5.17725420       3.16723061    
 H   -1.04227996       5.09052372       4.13062048    
 H  -0.328404963       5.73684788       2.86896276    
 O   -2.00549102       2.45532918     -0.190000549    
 H   -2.73489690       3.05394316       3.59023996E-02
 H   -2.39746714       1.57570803     -0.241480917    
 O   -6.33502054       2.39696527       4.38844109    
 H   -5.89473820       2.44718027       5.25119066    
 H   -6.35676098       1.47295463       4.10989857    
 O   -5.32843781       6.81138802       3.23569727    
 H   -5.58532858       7.73024130       3.25396442    
 H   -4.53714705       6.75422049       2.67464304    
 O   -1.98965204       2.02033019       6.54997396    
 H   -1.88558817       1.72274399       5.63085222    
 H   -1.51543093       1.39647734       7.09412336    
 O   0.839871287       6.56979609       1.74418521    
 H    1.30559003       5.81328392       1.36490226    
 H   0.233920023       6.87489319       1.05797875    
 O  -0.296487749       2.79916811       1.98866868    
 H  -0.880320549       2.62133479       1.23682690    
 H  -0.612803459       3.61195874       2.41534829    
 O   -4.05965376       5.17328548       5.16317654    
 H   -3.89695621       4.48079014       4.50348854    
 H   -4.54379272       5.86104441       4.69571590    
 O   -1.86548793       1.43332946       3.86638236    
 H   -1.14490521       1.73326421       3.29938722    
 H   -2.61044621       2.02643776       3.67015266    
 O   -7.09402752       4.55747795       2.76301169    
 H   -6.54437637       5.31237841       3.00200868    
 H   -6.94009066       3.86451197       3.42041945    
 O   -3.91090989       3.11953402       3.24610424    
 H   -4.78047180       2.82932448       3.55433130    
 H   -3.99363399       3.38125491       2.32214117    
 O   -4.04379654       4.06490135      0.607521653    
 H   -4.98297739       4.04536104      0.386289120    
 H   -3.79910302       4.95314646      0.899283230    
 O   -6.07640028      0.924575329      0.711833298    
 H   -5.21518183      0.744685769      0.316138208    
 H   -6.31488132       1.83136654      0.488133192    
          69
 Energy    -248.74065902669957     
  O     10.69390751      9.71389816    -11.26684187
  H     11.55906029     10.09531695    -11.47118034
  H     14.48764128     12.04195063    -14.59786131
  O     13.50254740      7.46459987    -15.19913422
  H     10.85776465      8.92442949    -10.73614442
  H     14.82403833      7.97445619    -14.03830828
  O     17.55478923      8.93671359    -10.16780391
  H     14.11659737      7.47116921    -15.94349406
  H     16.22642672      7.38499774    -13.83252707
  O     12.11968768      9.79289828    -14.64370744
  H     12.99582097      8.28724145    -15.17844447
  H     10.82167829      6.86001480     -9.14813127
  O     15.83239576      4.54852138    -10.50139526
  H     17.64505508      9.47902791     -9.38830628
  H     11.99886972      6.81030058    -10.14635120
  O     12.82300608      5.57879322    -13.31529381
  H     16.60532739      8.89399110    -10.37059850
  H     19.27002175      7.53993299    -13.12624070
  O     14.95815005      8.59232005    -10.98086853
  H     11.21049273      9.52808947    -14.45650077
  H     20.25396086      6.39063681    -13.45228720
  O     16.16526216     10.14557185    -16.84319460
  H     12.52522816     10.00579956    -13.78925725
  H      9.99877876      7.15960176    -13.07899337
  O     15.40397503      4.40985481    -13.35421301
  H     16.61105454      5.12773013    -10.58788583
  H     10.39698272      6.58824263    -11.70935008
  O     17.07119309     10.37421385    -14.24750522
  H     16.10056508      3.80448496     -9.96898505
  H     18.46080862      9.72032083    -13.24289441
  O     15.72035116      7.28045501    -16.92864942
  H     11.87763440      5.69658740    -13.14419733
  H     18.56657570      9.21743492    -11.78507336
  O     14.86609914     12.05547436    -13.71157648
  H     13.04435969      6.19468234    -14.02818904
  H     16.50857518      5.37774107    -14.34488295
  O     15.64059602      8.09256019    -13.53676358
  H     15.26085004      8.42157797    -11.88914420
  H     17.88674657      6.13357304    -14.38058308
  O     11.11705799      7.18826703     -9.99393356
  H     14.45219035      7.80897854    -10.73245046
  H     17.88341190      7.09642346    -10.51791887
  O     19.33149744      6.58379244    -13.30785779
  H     16.01735465      9.19760769    -16.94251646
  H     18.45454736      6.21781057    -11.64989974
  O     10.26458455      6.34617345    -12.63404299
  H     15.29466953     10.55351632    -16.75270569
  H     13.11190211     12.00142080    -16.81601621
  O     18.99589031      9.17633053    -12.64782766
  H     14.47217834      4.65885788    -13.41632416
  H     13.02006737     10.86977859    -15.76956510
  O     17.02969765      6.04845964    -14.81628895
  H     15.59029353      4.34581050    -12.41062789
  H     13.33071902      6.00257741    -11.63469329
  O     17.94766032      6.18569650    -10.83012821
  H     16.55910804      9.60836032    -13.94802968
  H     14.30591490      5.58925639    -10.50575762
  O     13.64060187     11.41780758    -16.27676824
  H     16.93835825     10.40024319    -15.20600149
  H     13.80521453     11.13965976    -12.60221388
  O     13.57235048      6.18175981    -10.71254112
  H     16.24245405      6.83387010    -16.24053992
  H     13.81871223      9.88692091    -11.67915024
  O     13.23956423     10.47717674    -12.17667912
  H     15.84553107      6.77926906    -17.73108888
  H      9.92925514      9.30108596    -12.76696733
  O      9.63250795      8.99197229    -13.64361369
  H     15.72211698     11.61454681    -13.79904979
  H      8.73201254      9.28670009    -13.74998362
          69
 Energy    -248.74063387670188     
  O     13.95585002     11.46621290     -8.47097220
  H     14.16736354     10.64819028     -8.95860382
  H     10.01912556     12.98145793    -12.97351195
  O     10.98356745     10.87482101    -14.84949635
  H     14.04136729     11.26016714     -7.54381557
  H     17.04073989     13.72457601    -16.95635382
  O     14.36057725      9.23655838     -9.92583066
  H     11.40160192     11.02799554    -15.70621270
  H     16.01868743     13.73076207    -15.79325088
  O     18.17179510     13.78905513    -13.67882874
  H     10.89304624     11.73960177    -14.41979773
  H     13.38109537     13.22775726    -12.20583870
  O     11.67901693     11.87770486    -10.09395440
  H     15.04820966      9.17413068    -10.60478466
  H     13.24420453     14.52840600    -11.37421103
  O     11.83561792      9.34339423    -11.25465760
  H     13.51971965      9.03774279    -10.35317141
  H     11.44181829     13.98666154    -15.21836228
  O     13.19454408      9.74937151    -13.61132539
  H     19.10635036     13.93463239    -13.80786370
  H     12.12760024     13.30452033    -16.42424260
  O     14.57743669     15.64076572    -10.71125089
  H     17.80076968     13.56808402    -14.54729771
  H     15.31871437     12.07445495    -12.69211777
  O      9.55302650      9.41948978    -12.96057495
  H     12.35098159     11.77193731     -9.40888873
  H     14.08794564     11.33220297    -13.30437909
  O     14.58629366     14.25037298    -14.97430617
  H     12.00093599     12.59329513    -10.66130264
  H     12.39612848     11.34254966    -18.02687319
  O     15.12033744     10.99590254    -16.50641671
  H     11.76401492     10.21808792    -10.84245674
  H     13.43907411     11.34187866    -16.88750941
  O     10.68947257     13.32352715    -13.58253355
  H     11.00690406      9.19713928    -11.72583399
  H     16.65155171     10.16920744    -11.87005253
  O     16.84548743     13.32385467    -16.11237389
  H     12.84294500      9.53625104    -12.73645318
  H     16.19211901      9.08281310    -12.85857775
  O     12.73854436     13.81345362    -11.77677062
  H     12.45625365     10.10911058    -14.11932767
  H     15.46218065      7.90405981    -14.93321347
  O     12.03787027     14.14688421    -15.96191649
  H     15.12797897     15.69879040    -11.51300282
  H     14.63977550      9.05788342    -14.31215982
  O     14.47602546     12.20039142    -13.14850196
  H     14.53676890     16.51777759    -10.34012993
  H     16.63121842     12.44199922    -11.07276926
  O     12.50596084     11.52250604    -17.09654988
  H      8.87804673      8.85224040    -13.32494249
  H     17.45530940     12.58829780    -12.40152290
  O     16.29873758      9.26914039    -11.92099637
  H      9.98221669      9.86096542    -13.71192780
  H      9.92724142     11.95995939    -10.95201510
  O     15.50198517      8.82997289    -14.70416623
  H     14.53080350     13.49882638    -14.36315478
  H      9.18636702     11.08500169    -11.97854500
  O     16.92475086     11.98085702    -11.87572608
  H     13.70746634     14.36289667    -15.35983334
  H     15.44515184     15.32166445    -13.71793535
  O      9.24335175     11.98378343    -11.63415000
  H     15.78287948     11.67797689    -16.35714570
  H     16.83913857     15.12356750    -13.10922597
  O     16.02316895     15.62415259    -13.00343765
  H     15.35771201     10.25424324    -15.93540615
  H     15.15957256     12.69236643     -9.27593002
  O     15.80525544     13.23667682     -9.74363300
  H     11.41214717     13.62628995    -13.01458219
  H     15.37121205     14.07214261     -9.95168703
          69
 Energy    -248.74048845592543     
  O     20.75096724     13.38407138    -19.56789043
  H     20.72235441     14.29313336    -19.21970870
  H     17.15867492     11.45070603    -12.98136347
  O     15.14674073     15.85872048    -12.98795789
  H     21.28833580     13.40768178    -20.35494915
  H     19.86993588     17.68695642    -15.31267510
  O     21.38510771     16.56995747    -15.80791968
  H     14.43928775     16.26851004    -12.49800333
  H     18.75558299     17.67081744    -14.24386053
  O     17.93642985     11.23651205    -17.07803631
  H     15.02978087     16.12030609    -13.92072153
  H     19.87414975     13.06982054    -12.41324995
  O     18.42394711      9.19287876    -15.21185026
  H     22.27102856     16.80278162    -15.53904097
  H     19.43108860     11.74623435    -13.00753938
  O     20.58979756     15.86728537    -18.49545264
  H     21.24617562     15.64839787    -15.53237704
  H     20.90028383     10.93752215    -14.20397784
  O     17.91182780     16.38518264    -17.98556652
  H     18.00270877     10.44863041    -16.52488362
  H     20.99673586     10.82689094    -15.73829350
  O     16.25325729     13.23472798    -13.06112394
  H     17.29734817     11.82387855    -16.65103290
  H     15.01571062     14.52754819    -18.12674380
  O     20.76482367     13.95519612    -15.20214538
  H     18.44176975      8.24011402    -15.24412554
  H     13.54157207     14.29056485    -17.71667853
  O     17.98154889     12.49717348    -19.63638105
  H     19.34480131      9.48744645    -15.09071216
  H     16.95079895     16.36100969    -13.07117948
  O     16.88225083     18.54645988    -16.53606443
  H     20.96610789     16.17321159    -17.66348227
  H     18.27298085     15.74297541    -12.58160733
  O     17.89763788     10.83514401    -12.92878176
  H     19.65776246     16.12635779    -18.46531682
  H     14.79203560     15.95623845    -16.23866833
  O     19.09462763     18.16848982    -15.00103816
  H     18.01824610     15.84565327    -17.18719223
  H     15.58329487     17.26639220    -15.94200700
  O     20.17562511     12.36980466    -13.00260442
  H     17.54343134     17.22306192    -17.68329348
  H     17.73159216     13.75532591    -12.10297819
  O     20.90625955     10.30317847    -14.92993432
  H     16.22569960     13.08129590    -14.01746378
  H     18.29182851     13.98791455    -10.68331762
  O     14.40431773     14.49352689    -17.36677673
  H     15.75896061     14.05348089    -12.92760421
  H     20.77731127     12.41280835    -18.01238244
  O     17.90913060     16.40064396    -13.18792077
  H     20.80051141     13.32694042    -15.93841009
  H     19.67001249     11.77601758    -17.13151746
  O     14.99919763     16.60456635    -15.55414260
  H     20.62192232     13.43528232    -14.39996893
  H     18.05690539     15.49659263    -14.83821210
  O     18.46399054     14.15931746    -11.60660213
  H     17.92360411     11.94296201    -18.84775009
  H     19.08773473     14.55704562    -15.51468566
  O     20.60537774     12.02933481    -17.14345439
  H     18.90058441     12.78227395    -19.69587164
  H     16.81792637     15.29428939    -18.99234379
  O     18.20861435     14.94433713    -15.61487990
  H     16.74185168     19.47314165    -16.71046190
  H     16.77371930     13.84390697    -19.52083673
  O     16.21809821     14.60993707    -19.31774350
  H     17.68579530     18.48176000    -15.98874592
  H     16.95298629     13.73881544    -15.78893063
  O     16.25799733     13.06088166    -15.82111631
  H     17.85167759     10.25365593    -13.69757293
  H     15.53193439     13.43873286    -16.33214824
          69
 Energy    -248.74046697931962     
  O     -1.35913910      3.45747873      3.01038410
  H     -0.75766935      2.76428356      2.70213331
  H      1.31079830      8.53197196      0.69826098
  O     -2.76064711      6.19843172     -0.36372151
  H     -2.07696268      3.49110350      2.36511188
  H      1.07689903      1.96919537      1.38158841
  O      4.82041079      6.39252959      0.38148082
  H     -2.52840963      6.82484357      0.33168898
  H     -0.31248515      1.48437447      0.96368063
  O      2.58349589      7.56829671      1.58458929
  H     -1.96185000      6.09190732     -0.90133107
  H     -0.42586773      4.20868186     -2.39416145
  O     -0.36219072      5.79426740     -1.65906084
  H      5.69293881      6.66231830      0.10880997
  H     -1.19936696      3.18719118     -3.26294699
  O      2.32928168      3.08442139      0.47172000
  H      4.32018554      6.19309667     -0.43075730
  H      1.30201684      8.64310801     -2.95731320
  O      0.86969932      5.42936026      0.74168612
  H      3.42861005      7.29018231      1.20704519
  H      1.02302516      8.31569854     -1.46975383
  O     -1.68744006      7.84926806      1.68493438
  H      2.53085445      7.18907545      2.47123860
  H     -3.48154515      1.70305909     -2.81810538
  O     -1.44620228      1.84399186     -0.51703278
  H      0.07020134      5.63009665     -0.80515703
  H     -2.91313367      1.18024001     -1.49205200
  O     -0.40180041      5.94254442      3.17612108
  H      0.10241479      6.53824717     -2.05974842
  H     -3.90649039      5.41627180     -1.67140284
  O     -3.11781057      3.67759827      0.81799514
  H      1.78078278      3.87694822      0.58173888
  H     -4.84081792      4.19268325     -1.72268631
  O      0.57492585      8.80762812      0.13219896
  H      2.44489037      2.98612466     -0.47892616
  H     -3.24657823      3.30047365     -4.84862151
  O      0.26295163      1.58882467      1.73330044
  H      0.31327316      5.43523000      1.53025374
  H     -3.42240626      3.81987418     -3.40308763
  O     -0.40150530      3.29885571     -2.73172092
  H      1.50925142      6.14105799      0.86943319
  H      2.76759122      2.68416614     -3.01313775
  O      1.27590489      7.92785399     -2.32793987
  H     -1.25756927      7.20297557      2.27134599
  H      1.38132431      3.20188756     -2.57705655
  O     -3.70651686      1.16965375     -2.04637643
  H     -2.16820886      8.44971763      2.24998875
  H      2.70543560      6.00083422      4.81061486
  O     -4.34324949      4.80617468     -2.27870024
  H     -0.99963677      2.30828597     -1.23590946
  H      2.89633027      5.36506471      3.41503801
  O     -2.92850833      3.18840886     -3.95672186
  H     -1.97340049      2.50371230     -0.04270885
  H      4.37107686      5.06077110      1.69764190
  O      2.33280295      3.26436333     -2.39233305
  H     -0.77231028      5.04605005      3.25236223
  H      3.46415799      3.82415093      1.74891669
  O      2.34974311      5.98944690      3.92595557
  H      0.47946699      5.94212889      3.56739370
  H     -6.21187170      2.32632080     -0.37215253
  O      3.92014756      4.46648456      2.30976719
  H     -3.96450249      3.35150118      0.48942572
  H     -4.86760176      2.09251025     -1.10395020
  O     -5.38330256      2.74211875     -0.59278025
  H     -3.00295882      4.56564966      0.45380204
  H      2.63196902      6.59108058     -2.04811840
  O      3.28646903      5.92955236     -1.79485254
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  H      2.93547550      5.06641567     -2.04328573
          69
 Energy    -248.74012340406432     
  O     -7.86183818     -2.13614416      6.14264323
  H     -8.40427813     -1.41441112      6.48282376
  H     -4.50133964      0.46154939      1.41379920
  O    -10.55588119     -2.24477422      2.64282382
  H     -6.94068398     -1.87493800      6.25611714
  H     -7.28870809     -0.70228684      3.12344030
  O     -8.53873075     -3.71963574      4.04435150
  H     -9.95540691     -2.84229203      3.10307547
  H     -7.10745575      0.47141133      4.14275517
  O     -5.69813638      0.65957880      0.06390715
  H    -10.64590068     -1.47868015      3.22593018
  H     -4.74880630     -1.55791714      5.39423938
  O     -6.06049075      1.15469387      5.50373567
  H     -8.61353707     -4.61787320      4.35487338
  H     -4.46618413     -1.67593580      6.91297915
  O    -10.58665541      1.59672550      0.45347257
  H     -8.33124354     -3.17064787      4.82230996
  H     -1.40468161      2.69331884      1.88862360
  O     -9.55510529      0.02217518      7.00023324
  H     -6.02705405     -0.21176418     -0.18675658
  H     -2.69695809      1.84791452      1.93382990
  O     -4.29376239     -1.81048291      3.75733874
  H     -6.47828404      1.11725467      0.41338745
  H     -8.92441674      5.06066436      4.19982948
  O     -4.63080727      3.44956597      0.30927519
  H     -5.62240162      0.36802373      5.85116717
  H     -7.93134219      4.14896000      3.45958544
  O    -10.28449002      0.01696564      4.28228977
  H     -5.40965807      1.70854996      5.05146478
  H    -10.14895113      3.02606056      3.34655975
  O     -7.11647585     -1.81200340     -0.24543213
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  O     -3.90922263      0.49097822      2.17950357
  H    -10.77716671      1.91427172      1.35488998
  H     -6.84709097     -2.26441076      1.53929846
  O     -7.64426737      0.14983333      3.40789737
  H    -10.03811774      0.09996485      7.81843782
  H     -7.34599688     -2.90932635      2.88806754
  O     -5.09253213     -1.33703460      6.27960939
  H     -9.17687027      0.90049204      6.81299364
  H    -10.01461648     -1.57168458      1.06906594
  O     -2.35402407      2.75746385      1.95236417
  H     -3.98525423     -1.06902446      3.22197686
  H    -10.04712676     -0.24359881      0.27836802
  O     -8.70439049      4.14382854      4.04471364
  H     -5.08906222     -2.12724478      3.30460791
  H     -8.56935123      2.98968981      5.60289156
  O    -10.83220764      2.43531286      3.01139189
  H     -3.77286010      3.33654968      0.73593112
  H     -7.51214237      2.00665705      6.13375481
  O     -6.69222956     -2.31951623      2.49036308
  H     -4.89100887      2.57035261      0.01077178
  H     -5.27034269      3.16534139      3.34176872
  O     -9.65005283     -1.12034941      0.29267206
  H    -10.22407449     -0.03505714      5.24276257
  H     -3.73124756      2.98455126      3.40120737
  O     -8.39159205      2.36979632      6.31797101
  H     -9.36913937      0.03651630      3.96207994
  H     -8.80737580      1.75612643      0.87082377
  O     -4.55616470      2.72168810      3.82339614
  H     -7.12735351     -2.42382786     -0.97649452
  H     -7.89668959      1.17634894      2.00142960
  O     -7.91747661      1.77630746      1.23925471
  H     -8.04141678     -1.53587750     -0.09968312
  H     -7.13131462      3.17129704      1.91096807
  O     -6.56366855      3.87990186      2.25644187
  H     -4.30208887      1.11893975      2.80086663
  H     -5.89039881      3.99316803      1.57077344
          69
 Energy    -248.74011104446822     
  O     -2.96670039      4.14347695     -0.41796580
  H     -2.01218606      4.28382305     -0.43574661
  H     -1.01630913      6.07723216      6.33700809
  O     -3.88010698      6.79160980      7.35504500
  H     -3.18341978      3.61860727      0.36779567
  H     -3.85062946     11.37541062      1.26481458
  O     -3.07468008      9.00583735      3.79629090
  H     -4.24041911      6.47698782      8.17911773
  H     -3.93529180      9.92222635      0.74336155
  O     -3.40061110      7.70936339     -2.82060093
  H     -3.09836770      6.24280890      7.15869493
  H      0.54904186      4.70495937     -0.74692304
  O     -4.50289910      6.77710723      4.61614061
  H     -2.15910032      8.74283774      3.62110543
  H     -0.48388714      5.86265829     -0.72719413
  O     -6.95759931      7.52051238      0.11415788
  H     -3.34164570      9.56575073      3.05833253
  H     -7.10371413      5.94827437     -0.59976547
  O     -3.68604523      6.46894864      1.00152666
  H     -3.83502777      6.84676514     -2.69059456
  H     -7.86969163      4.94212868     -1.49158231
  O     -3.82195210      3.00389307      1.91345226
  H     -3.38178215      7.86925610     -3.76004427
  H     -0.62108162      9.05364560      1.61959932
  O     -4.58442498      5.32336856     -2.30062448
  H     -4.03689459      7.56622422      4.30019982
  H     -1.76837958      9.82844028      0.95586500
  O     -0.44497120      8.20745239      3.33115769
  H     -4.45109308      6.78379712      5.57923807
  H     -2.95343787      8.42370504      6.93110063
  O     -6.09386141      6.28472768      2.45601091
  H     -6.77710126      7.24068720      1.02367141
  H     -2.69091002      9.24093496      5.64875244
  O     -1.68915556      5.41637715      6.54123120
  H     -6.19225010      8.04307584     -0.15602823
  H     -2.12291129      4.98166077      3.39579300
  O     -3.55609322     10.48523787      1.43958196
  H     -4.49500221      6.34389147      1.51334403
  H     -3.39620809      5.32691833      4.20823134
  O     -0.27467399      4.98274740     -0.35786663
  H     -3.54671644      5.68098068      0.45793238
  H     -7.29147925      3.04258721      1.64845427
  O     -7.11380559      5.02597342     -0.91549180
  H     -4.77204692      3.15937866      1.85874103
  H     -6.76049694      4.06514889      0.62049462
  O     -0.96420466      9.33493959      0.76208637
  H     -3.50949661      3.44591500      2.71333909
  H      0.68156426      8.00737140      6.65836940
  O     -2.35741110      9.07544481      6.54085943
  H     -3.98321510      4.79747799     -1.75214499
  H     -0.80341910      8.27281356      6.31304142
  O     -2.76028134      4.62029033      4.02942926
  H     -5.45698848      5.20448315     -1.91194821
  H     -0.96450830      8.11300688     -0.58737172
  O     -6.59826769      3.68127577      1.49713391
  H     -0.61156421      7.34052618      2.92904318
  H     -1.75580108      7.55719407     -1.80631099
  O     -0.02676192      7.73195024      6.08205496
  H     -0.14613122      8.04685015      4.23381387
  H     -4.12062693      8.54562498     -1.32671865
  O     -0.98868044      7.40281633     -1.24589032
  H     -6.31115996      5.35009012      2.35585777
  H     -4.09450650      7.92967491      0.08489216
  O     -4.42077111      8.69179925     -0.42171758
  H     -5.66847571      6.41857473      3.31482435
  H     -2.06037924      6.22712288      1.75097527
  O     -1.22200686      5.89492315      2.10962844
  H     -1.93203083      4.99520615      5.70607223
  H     -0.74620841      5.50812912      1.36529326
          69
 Energy    -248.74007666847345     
  O     17.89430328     11.00495948    -16.53582203
  H     17.66481513     10.11471595    -16.22205150
  H     16.13792596      5.00656445    -12.42210195
  O     14.57671061      6.29418278    -15.18225200
  H     17.12334977     11.57092169    -16.40991195
  H     22.45156583      9.56946415    -15.50608641
  O     18.45893425     13.10832340    -12.90398153
  H     15.19266371      6.25337030    -15.92914380
  H     21.00905273     10.06208124    -15.24856307
  O     19.80918842      7.72032467    -14.03595114
  H     15.10021992      6.13049953    -14.39035902
  H     17.10970193      7.82162070    -16.05998380
  O     16.21438407      8.57996749    -18.94330232
  H     17.55588692     12.82397549    -13.10245274
  H     18.22075360      8.18278161    -15.02548600
  O     16.10747620     11.11736394    -10.66672804
  H     19.02572944     12.65332475    -13.53823483
  H     15.61592175     12.51282475    -15.00106283
  O     15.29839300      9.55950011    -14.10098450
  H     20.51160057      8.13454560    -14.54978876
  H     15.32240094     13.41770170    -16.21568167
  O     18.53395884      5.32210364    -14.44723402
  H     19.61337231      8.31231042    -13.29545045
  H     16.44003745      7.50917975    -12.07247573
  O     13.15307939      8.54718988    -15.53917939
  H     17.04011978      9.05489624    -19.08140468
  H     15.92784138      8.86063242    -12.58053421
  O     19.03944770      5.44046612    -17.28775880
  H     15.61043244      9.19461089    -18.49899580
  H     14.77520067     10.98174730    -16.92081315
  O     16.46507719      6.53700828    -17.18316365
  H     16.12607172     10.16792026    -10.83560407
  H     13.98960621      9.65673754    -16.85643202
  O     16.32913577      5.79675912    -12.92226730
  H     17.01378250     11.35861352    -10.43807132
  H     19.40643465     12.33659798     -9.90459064
  O     21.53446751      9.32609243    -15.60462767
  H     14.47434797      9.27168546    -14.51047265
  H     18.77943317     12.40497768    -11.31900963
  O     17.43800676      8.51833262    -15.47579072
  H     16.02448296      9.15608807    -14.59976861
  H     19.03997658     10.29907451    -11.59211138
  O     15.60418208     12.53909766    -15.97180273
  H     18.66710585      5.20441878    -15.39401844
  H     18.06712629      9.21456250    -12.11956209
  O     16.44114542      8.45186362    -11.86710740
  H     19.09930043      6.07104959    -14.20659669
  H     20.71714458      8.36201956    -17.04556833
  O     14.52994319     10.20743578    -17.43692747
  H     13.59428728      7.68359031    -15.43438389
  H     19.71862150      8.54466603    -18.20340020
  O     18.89212915     11.83914019    -10.53398665
  H     12.21734693      8.39253772    -15.44783992
  H     15.81119283     11.95546195    -12.30453916
  O     18.93029547      9.62572273    -12.27370723
  H     19.45940996      4.80841725    -17.86508006
  H     15.62682322     11.20551090    -13.61856549
  O     20.19265047      7.87673409    -17.69253039
  H     19.48720286      6.29258247    -17.43472150
  H     19.41086535     10.64009330    -13.79101782
  O     15.82492884     12.08674980    -13.26258144
  H     17.28747264      6.05832004    -17.33857391
  H     19.12886715     11.17506591    -15.23538624
  O     19.78244293     11.15820277    -14.52024963
  H     16.34002506      7.17512589    -17.90410941
  H     19.00542758     10.65482407    -19.57570429
  O     18.74606434      9.99101840    -18.94147124
  H     17.10456093      5.58936597    -13.47315150
  H     18.47549385     10.46192246    -18.13552724
          69
 Energy    -248.73914039036325     
  O     -2.93605347      3.45998728      3.77012601
  H     -1.98402676      3.50151916      3.97424222
  H     -1.39635745      5.09424555     -2.85551849
  O     -3.54559780      1.83159868     -1.02104961
  H     -3.38906993      3.33594420      4.59935550
  H     -0.62015283      3.86605377     -4.95974708
  O     -2.10118594      1.57283692     -3.41727547
  H     -3.21233095      1.81354201     -0.11116241
  H     -1.27827433      2.98558548     -3.86573548
  O     -4.01420593      4.63572653     -0.93675819
  H     -3.82897761      2.74686159     -1.13950828
  H      1.71412715      6.42736911      4.10311028
  O     -0.60017509     -0.04769318      1.15340727
  H     -1.70398067      0.69493752     -3.41102839
  H      1.95967468      5.45685602      2.92141376
  O      0.79987423      0.40656978     -1.25404300
  H     -2.61526260      1.64757845     -2.60142780
  H     -0.37463026      4.38163835      0.92084105
  O      0.20834317      7.22175233     -0.94490428
  H     -3.78587748      4.84841747     -0.01360610
  H      0.07085336      3.44565892     -0.24489282
  O     -0.25733417      3.51235256      4.19994896
  H     -4.83900951      5.07955864     -1.11910122
  H     -2.40156209      5.70337356      1.57618400
  O     -2.51938300     -0.90202006     -0.82022244
  H      0.10601213      0.31763972      1.70285407
  H     -3.28753570      4.72528258      2.36413949
  O      1.10487740      1.76977701      2.42734873
  H     -1.34274431      0.55580546      1.31250715
  H     -1.71581803      2.54024381      1.14340405
  O      3.06753878      4.80550640      1.80561257
  H      0.32649349      0.25394561     -0.42488036
  H     -2.73591338      2.35008561      2.29338670
  O     -1.66328138      5.70848103     -2.16080625
  H      0.34454241     -0.10779316     -1.93101892
  H      0.02253326      6.15206158      2.19762511
  O     -0.74532609      3.78835092     -4.01841211
  H      0.19063942      8.10178274     -1.31055426
  H     -0.27910573      6.61782952      0.72934484
  O      1.27319004      5.82936339      3.50640191
  H     -0.47743704      6.70847257     -1.41125670
  H      1.91515396      4.56657101     -1.24439352
  O     -0.28152082      3.45911419      0.65196201
  H      0.25395371      4.31855783      4.06087603
  H      1.71676986      6.04921989     -0.89989660
  O     -3.28145293      5.30079082      1.59101216
  H      0.23005390      2.81143829      3.74785024
  H      0.84068818      2.18270757     -1.72731711
  O     -2.42755235      1.96292879      1.46706644
  H     -1.91867610     -0.79443838     -0.07143474
  H      0.41653946      3.36396711     -2.65294615
  O     -0.62502557      6.12076602      1.48169256
  H     -3.03113813     -0.08591638     -0.88208316
  H     -1.53684095     -1.07825787     -2.24916095
  O      2.34411029      5.32043933     -0.81918973
  H      0.71666557      2.39536147      1.79592241
  H     -0.93893406     -1.81965749     -3.47050506
  O      0.93599175      3.13435674     -1.87270095
  H      2.06104913      1.81919751      2.31397915
  H      3.73763044      1.79769772      0.85304144
  O     -0.92036255     -0.99129753     -2.99969052
  H      3.41520676      3.90803781      1.82990053
  H      4.64834841      1.64560641      2.09306298
  O      3.83823987      2.04554741      1.78831850
  H      2.87492606      5.00551105      0.87746947
  H      2.56816985      0.90430708     -0.95329787
  O      3.36647187      1.43854590     -0.82942426
  H     -2.46174563      5.34280478     -1.76230336
  H      3.21829445      2.22136373     -1.36282387
          69
 Energy    -248.73879589443374     
  O     -3.35864928      4.66893048      2.75646290
  H     -4.08742532      4.22911893      3.18718424
  H      0.22386541      8.25381228     -2.68353095
  O      1.69927394     10.10688925      1.89929947
  H     -3.19762500      4.19491371      1.92228259
  H      1.74309408      2.38560550      2.69441846
  O     -0.19339549      8.94303720     -1.06283921
  H      1.04612979     10.59546835      1.38261104
  H      0.53591566      3.34956484      2.59417432
  O      0.37209937      9.60594035      4.21928803
  H      1.79739987      9.25155276      1.45932239
  H      0.24756006      2.47284903     -5.06670709
  O     -1.97024595     10.10663221      2.62641212
  H     -0.33315321      9.79317642     -0.62849702
  H     -0.57839564      2.46880519     -3.75700894
  O      1.36640619      7.52728982      0.76209774
  H      0.35872381      8.41203560     -0.46841618
  H     -1.27547105      1.57203027     -1.77521289
  O     -2.47502563      7.39049267     -0.52315750
  H      0.93224036      9.83965268      3.45685813
  H     -2.53184749      2.15431668     -2.46566392
  O     -2.83198916      7.42272636      2.20437376
  H      0.79183853      9.96804009      4.99427770
  H      1.21494114      3.00812017     -2.70565244
  O     -0.86864318      5.17271898     -0.61089047
  H     -2.41858406      9.25526510      2.54560672
  H      0.89088079      2.53550989     -1.27845420
  O     -2.70956324      3.45073630      0.40252196
  H     -1.28885283      9.99024542      3.30050326
  H     -0.30943303      5.33493146      3.36277182
  O     -0.43930313      1.81003941     -0.04454362
  H      1.70890347      6.66598562      0.49185888
  H     -1.52072761      4.39513825      3.29894164
  O      0.45714031      7.76584388     -3.48915759
  H      0.82106596      7.36121818      1.54524982
  H     -4.97932941      2.88973482     -2.29146606
  O      1.17046223      2.82587940      2.07200016
  H     -1.94228768      6.57986854     -0.48598303
  H     -3.98500443      4.07404991     -2.23096096
  O      0.08320129      2.96883667     -4.26975064
  H     -1.84725883      8.07428413     -0.78776683
  H     -0.40758359      6.20357264     -3.52465929
  O     -1.68653651      1.72129804     -2.63589364
  H     -2.81530197      7.45330905      1.23539842
  H     -0.52885717      4.65726526     -3.81224518
  O      1.56018512      2.99026116     -1.80663100
  H     -3.13749806      6.54171845      2.45088965
  H      1.90213884      4.29077695     -0.62416768
  O     -0.56296859      4.40190161      3.40049673
  H      0.03839746      5.09565964     -0.29585609
  H      1.72407622      4.22536262      0.90464491
  O     -4.11117511      3.13891849     -1.98697255
  H     -0.84379729      5.17623456     -1.57907029
  H     -2.72666754      5.64384186     -3.03205546
  O     -0.94197245      5.41004285     -3.37386199
  H     -2.04126166      4.07166705      0.06641995
  H     -3.46088096      6.40210775     -1.91935481
  O      1.82139564      4.84323141      0.16932440
  H     -3.31304552      3.27788151     -0.33097436
  H     -1.10267030      7.25135276      2.73849811
  O     -3.58596165      5.72176363     -2.59076653
  H      0.16306942      1.99832739      0.68679912
  H      0.03137185      7.88906607      3.58738012
  O     -0.18948340      7.12806237      3.03675773
  H     -1.26145848      2.26053145      0.19214487
  H     -0.88032462     12.09284764      0.39515922
  O     -0.59271058     11.19678554      0.54719503
  H      1.26738426      8.15624271     -3.80696976
  H     -1.15388392     10.83850900      1.25816176
          69
 Energy    -248.73873282235320     
  O     -7.64430483      2.65128986      0.32781560
  H     -7.19152794      2.35871060      1.12939303
  H     -0.76185053      1.70139017      2.38609791
  O     -4.47337394      2.81426028     -3.14469986
  H     -7.03113136      3.25352773     -0.11793846
  H     -1.45890431      2.78885023      0.53238934
  O     -5.98412112      1.44846320      2.27409365
  H     -4.60475820      3.23043315     -3.99333698
  H     -2.58571794      3.87040217      0.38036841
  O     -3.01296920     -0.82427735      1.97855556
  H     -3.52256213      2.62629053     -3.07098706
  H      1.12021606     -0.82948713     -0.06646986
  O     -1.50300370     -0.53155007     -2.20800117
  H     -6.39075821      0.57240689      2.22240466
  H      2.11560276      0.30577673     -0.35366591
  O     -5.39728281      0.42263420     -1.97558659
  H     -5.30017007      1.43696691      1.58689050
  H      2.52915936      2.84192950      0.23778315
  O     -4.69591268     -2.75410288      0.85358198
  H     -3.35818520     -0.13277069      1.38872401
  H      1.17162695      2.17673628      0.54559029
  O     -3.91055224     -1.89017008     -1.59295056
  H     -3.55439371     -1.60153877      1.79879867
  H     -8.85565535      0.17906699     -1.23553542
  O     -1.84621492      2.25254878     -2.62344507
  H     -0.65792537     -0.70420346     -2.64213768
  H     -7.93162031      1.17444557     -0.49103668
  O     -0.68926959     -0.71730336      0.44145611
  H     -1.71830946      0.39554671     -2.37632208
  H     -1.87040518      0.78967388      4.57930719
  O      1.16172300     -0.75847417     -3.12587487
  H     -6.32756642      0.40451937     -1.71179333
  H     -2.40539423      0.36500840      3.19446454
  O     -0.30875132      1.77967588      1.53849756
  H     -5.23053580      1.22855869     -2.47878427
  H     -7.31489725     -0.71603365      0.63241902
  O     -2.11757368      3.15604054     -0.07164473
  H     -4.40519601     -2.49792063     -0.04071780
  H     -6.23583675     -1.63976937      1.24429484
  O      1.94895584     -0.62944928     -0.52411621
  H     -4.80340622     -3.70136829      0.84558575
  H     -3.40415083      1.84798361      0.14740277
  O      1.89138547      2.21919982     -0.10372389
  H     -4.51221874     -1.17205609     -1.83537261
  H     -4.46358754      0.87103166     -0.46837919
  O     -7.96297529      0.30108724     -0.92524404
  H     -3.03644564     -1.57590551     -1.85354666
  H     -3.83368337      5.80206814      1.57889117
  O     -2.02254882      1.10729008      3.69214561
  H     -1.92899369      2.63877455     -1.73763787
  H     -3.90181434      4.32014568      2.02040418
  O     -6.94004057     -1.02004636      1.46791284
  H     -0.90420966      2.28737202     -2.84325217
  H     -5.00072773      4.45868925     -0.19785647
  O     -3.99996258      1.11619334      0.34254143
  H     -1.02094038     -0.66282764     -0.46658595
  H     -5.17795562      3.79868490     -1.59077146
  O     -3.77118857      4.90792514      1.25433439
  H     -1.44203579     -0.93817532      1.00378042
  H     -3.34675302      2.51761816      3.49221288
  O     -5.65610538      4.18925488     -0.85121008
  H      1.53094038     -0.79870919     -2.22553476
  H     -4.83616103      2.59357514      3.10708084
  O     -4.05320190      3.13736211      3.28150065
  H      1.68396683     -1.34423785     -3.66675329
  H      1.25269085      2.21426194     -1.95425288
  O      0.88405369      2.08750316     -2.83672243
  H     -0.39960599      0.91047857      1.11514418
  H      1.06665880      1.16811599     -3.06777913
          69
 Energy    -248.73865737027072     
  O      1.82507128      0.07320596      4.78823090
  H      2.55469614     -0.03033824      5.39395571
  H     -4.61316117     -1.10695132      3.77570222
  O      0.88496042      0.01115610     -2.98206353
  H      1.16343189     -0.60190582      5.02502335
  H     -3.41959555      2.55979670      1.08808471
  O     -0.09378749     -1.80004675      5.18886849
  H      1.03159799     -0.92006651     -2.77475914
  H     -3.66472520      3.22928893      2.44750145
  O     -1.23296762      0.50339651     -1.09487060
  H      0.05263937      0.24987886     -2.55487178
  H     -2.99352382     -1.65035967      7.18560507
  O      1.46646915     -2.59809744     -1.87481283
  H     -0.92162953     -1.65912388      5.66602871
  H     -3.21304041     -1.51809900      5.65606088
  O      3.11641896     -1.19934835     -0.24448965
  H     -0.33815324     -2.09170852      4.30399855
  H      0.00003062      2.61132368      1.60385376
  O     -4.52348847      2.71497729      4.06903733
  H     -1.14157963     -0.44373105     -0.91223888
  H     -1.40155928      3.17529148      2.04166110
  O     -3.14764765     -3.61758741      2.31407351
  H     -0.54700893      0.94505939     -0.57415813
  H     -1.27016032      1.17921329      2.58907684
  O     -0.03046203      2.26827065      5.03623747
  H      1.91398625     -3.33126191     -2.28823223
  H     -2.18500806      0.51127373      3.62618528
  O      2.84267622      1.31049044     -1.60622177
  H      2.11125224     -2.16628952     -1.28584448
  H     -0.10806402     -2.45990539     -0.95481062
  O     -5.27483491      0.27481141      2.79799874
  H      3.20042153     -0.33166181     -0.65978191
  H     -0.73852360     -2.24679964      0.45939831
  O     -4.15070274     -1.80018852      4.26833350
  H      2.72353368     -1.04647283      0.62494636
  H      0.87875568     -1.23381919      2.15524613
  O     -3.16309304      3.31640064      1.62594344
  H     -4.98029738      3.30255382      4.66540478
  H      1.80366930     -0.30464364      2.97125881
  O     -2.60831476     -1.29521458      6.38954446
  H     -3.83874687      2.26117000      4.59069898
  H     -2.57137870      0.48566210      5.84059844
  O     -0.54246971      2.86223314      2.36266374
  H     -3.40907507     -4.53155743      2.24183528
  H     -1.66550844      1.66781417      5.34280031
  O     -1.78565458      0.37903736      2.75810232
  H     -3.44401995     -3.17236673      1.49942818
  H      1.15071828      0.82046539      1.00004558
  O     -0.91446472     -2.20474129     -0.48839523
  H      0.65868511      1.59662109      4.98155620
  H      1.60818680      1.62690722     -0.24297697
  O      1.60650967     -0.60548151      2.07417859
  H     -0.11753183      2.63351454      4.14336819
  H     -1.52643166     -2.74090401      2.41057432
  O     -2.56371956      1.29976932      5.32483437
  H      3.37945926      1.88736009     -2.14233939
  H     -1.16232539     -1.22911993      2.50612865
  O      0.90300603      1.54715378      0.41061345
  H      2.18499659      0.90224270     -2.19782524
  H     -2.78484245     -2.32689219     -0.34224167
  O     -0.78810499     -2.11797654      2.37365018
  H     -4.92250578      0.39534749      1.90962340
  H     -3.80477353     -1.29492622      0.16408017
  O     -3.66559084     -2.24208142      0.04937528
  H     -5.16451032      1.12816083      3.23688359
  H     -2.84121651      0.67563745     -0.16216415
  O     -3.48722090      0.60194356      0.55422937
  H     -3.89072832     -2.47104888      3.62818381
  H     -2.96385088      0.49185351      1.36460937
          69
 Energy    -248.73856383069921     
  O     11.69977291     10.57391968    -16.51067456
  H     11.57303899     11.06804274    -15.69050948
  H     16.56201662      6.90394013    -15.39989299
  O     14.29022216      6.40369115    -12.64567214
  H     12.24609006      9.80789479    -16.29765870
  H     18.75428352      8.88522438    -14.51232954
  O     16.23564024     11.57547138    -14.04318234
  H     14.87510188      6.56965230    -13.40155527
  H     18.93228909      7.93870013    -15.71450528
  O     12.96674038     11.82735856    -18.55500335
  H     13.73786236      5.66705022    -12.89569723
  H     16.33501417     10.82189778    -10.83075053
  O     13.78991252     10.41075437    -13.73500821
  H     15.33526600     11.21483758    -14.00545265
  H     16.98769928      9.89907671     -9.77853889
  O     13.75747194     14.28805859    -12.03234954
  H     16.43389099     11.77413570    -14.96639291
  H     17.64925448     11.60886360    -16.91453197
  O     14.05663395      8.85763847    -11.41907390
  H     12.38469039     11.95616792    -19.29875565
  H     16.17177712     11.22907876    -17.16979357
  O     13.14469109     14.49429670    -14.82242688
  H     12.43825411     11.40900107    -17.85133123
  H     11.38538877     12.38125691    -13.23153515
  O     17.49318114      8.70170476    -18.45420642
  H     13.04164467     11.02051328    -13.75035036
  H     12.15422429     12.98388701    -14.42794061
  O     13.18905320     11.28643936    -10.39845648
  H     13.78430369      9.90932171    -12.90968223
  H     15.38052943     13.16979244    -16.90609653
  O     17.85314274      6.66912612    -16.70233308
  H     12.88931192     13.97036324    -11.75839881
  H     13.98678610     13.08039246    -17.56523383
  O     15.94861839      7.20996916    -14.72060551
  H     13.68760682     14.41605270    -12.98680294
  H     17.03973612     10.02943432    -13.64417752
  O     19.29444709      8.73052440    -15.29846516
  H     14.08077009      7.95723718    -11.77190735
  H     17.26787745      9.24678114    -12.34530291
  O     16.59345591      9.90264089    -10.64735832
  H     14.94652399      9.07065660    -11.10970579
  H     15.09610068     13.16244650    -11.54758658
  O     16.74136067     11.88815741    -16.74601647
  H     13.69353962     14.19600649    -15.56870126
  H     15.97807216     12.19303644    -12.34603338
  O     11.69910188     12.18567405    -14.12422649
  H     12.78700644     15.34196777    -15.07540660
  H     14.39553329     10.61054198    -18.36672333
  O     14.52178759     13.60759510    -16.95883466
  H     18.11988669      9.38999012    -18.20026482
  H     14.65475189      9.53772017    -17.27793737
  O     17.36080162      9.18132964    -13.30127003
  H     16.61996041      9.11692635    -18.43715395
  H     11.88892260     12.25631827    -10.99904902
  O     15.66774097     12.38660060    -11.44909680
  H     13.29097997     10.34758278    -10.60080964
  H     10.58709007     13.07018492    -10.80796050
  O     15.07420708     10.03418555    -17.99661422
  H     14.01103073     11.69669546    -10.69637932
  H     20.09848928     10.94696458    -17.43759765
  O     11.27350525     12.87146995    -11.43856199
  H     18.18094776      5.89473997    -17.15114465
  H     19.30905226     10.01033271    -16.49253722
  O     19.21831242     10.65436870    -17.21755877
  H     17.69479636      7.34501056    -17.38623247
  H     13.82244010      9.35315057    -15.12380868
  O     13.87719449      8.73946386    -15.87336894
  H     16.41774999      7.88593978    -14.20976945
  H     14.51823926      8.07496901    -15.59324313
          69
 Energy    -248.73842566090116     
  O     12.24421597     10.41363815    -15.22462885
  H     12.63481132     11.22645795    -14.88326521
  H     20.90117448      7.84552134    -14.24589524
  O     16.31770893      6.43988883    -13.82924939
  H     12.87731247     10.06032107    -15.86019142
  H     16.21288655     12.03844622    -16.44597402
  O     17.14996840     10.02562029    -11.39424343
  H     15.49906240      6.22926968    -13.36024871
  H     14.92250736     11.25818899    -16.76528116
  O     18.04000433     11.58478485    -16.35917449
  H     16.96887869      6.66858558    -13.15006555
  H     15.92831752      8.12407989    -14.28231615
  O     13.35655142      6.96522106    -17.09597187
  H     17.03236905      9.83314787    -10.45495515
  H     16.72147295      9.44972109    -14.43987496
  O     14.09301191      8.06778222     -9.13726541
  H     16.28356237     10.31048358    -11.71932946
  H     10.03192276      8.82784328    -13.63167404
  O     14.01834309      6.17789448    -12.30567358
  H     18.20589814     11.23723818    -15.46723150
  H     11.38714847      9.32267042    -14.19382830
  O     14.70358630     10.65049804    -12.57099569
  H     18.78942213     12.12974209    -16.58658533
  H     17.72500950      6.68091105    -10.38111606
  O     17.26814873      9.02675324    -17.49920941
  H     13.37398920      6.16662250    -17.61609054
  H     17.16346401      7.37759503     -9.13549891
  O     14.85372218      5.35896740     -9.74204053
  H     13.00344037      6.71298307    -16.22604650
  H     11.80167397      7.11176724    -14.28296675
  O     18.28430818      7.02600500    -15.82620649
  H     13.59045535      8.34358406     -9.91594762
  H     12.91141779      6.14021390    -13.84929433
  O     19.99601585      8.08104363    -14.06591336
  H     14.22358826      7.11657073     -9.23278198
  H     18.06113354     10.40130873    -13.01562916
  O     15.25071549     12.10874389    -16.44407508
  H     14.26113171      5.76243280    -11.46938143
  H     19.00974701      9.62772872    -13.97898989
  O     15.83617024      9.06839933    -14.46908967
  H     13.69391758      7.06204392    -12.08193578
  H     18.92278421      7.59347319    -12.59556044
  O     10.97335860      8.68655716    -13.58245349
  H     15.01365789     10.05960348    -13.27707467
  H     17.79932905      8.32844854    -11.81386687
  O     17.30858811      6.50716904     -9.52589783
  H     14.37247711     11.44200397    -13.01118770
  H     15.62766498      8.84769778     -8.88086397
  O     12.37011616      6.40131428    -14.60413923
  H     17.59429963      9.89947189    -17.25020892
  H     16.58518754      9.59925198     -7.92581871
  O     18.35626603     10.33981101    -13.93335609
  H     16.30723461      9.09943615    -17.49076665
  H     13.53679576      9.43770921    -11.90125288
  O     18.17373160      7.45604348    -12.00342814
  H     14.80490435      4.55267199     -9.23581141
  H     12.19841878      8.70710758    -12.19156366
  O     16.53735341      9.18400632     -8.78275488
  H     15.76764523      5.68610024     -9.66283177
  H     13.46819949     13.58026492    -14.26286256
  O     12.97719172      8.69988662    -11.62119714
  H     17.54335136      6.65648425    -15.33107978
  H     14.31961184     12.55489089    -15.05028813
  O     13.74577292     12.66847363    -14.27054709
  H     17.91963983      7.65052891    -16.46989600
  H     14.05132507      8.57169479    -17.03449734
  O     14.45364915      9.42556716    -16.81201746
  H     19.44664539      7.65674874    -14.75283283
  H     14.93017042      9.29924273    -15.97501894
          69
 Energy    -248.73780626920072     
  O     20.98554152     11.51063346    -18.19741449
  H     21.66390261     11.17448449    -18.77664457
  H     16.15860559     10.21093162    -13.64486814
  O     15.89283624     17.69398883    -14.87967264
  H     21.19491068     12.44751241    -18.03104926
  H     21.24373066     16.49478682    -15.38446033
  O     22.01921527     14.76408166    -14.94780102
  H     16.13403898     17.53812552    -15.80989486
  H     19.98539185     17.29133831    -15.02038931
  O     15.36885710     13.12211060    -13.98808715
  H     15.45961132     18.54357949    -14.85216826
  H     17.02522134     13.12445639    -13.11052548
  O     16.95312189     11.17039170    -16.58347694
  H     21.34275821     14.14112031    -14.63207595
  H     17.86310169     13.92965629    -12.09356417
  O     17.45289007     10.28037395    -12.51165484
  H     22.78803189     14.63552861    -14.39785019
  H     19.74538240      9.62336551    -14.48308297
  O     21.46928004     14.11080762    -17.65502436
  H     15.45228386     13.39717730    -14.91358843
  H     20.20683152      8.32876250    -13.79340783
  O     19.37730334     16.11021808    -17.79773188
  H     15.22667791     12.16846346    -14.01062701
  H     14.72412030     15.24045895    -19.62606654
  O     15.27707390     15.71476998    -12.87840024
  H     16.57879490     12.05963004    -16.66535936
  H     16.22525988     15.01187389    -19.31250687
  O     20.01066822     13.01187803    -14.30194510
  H     16.43244234     10.73510062    -15.89740979
  H     18.30116230     16.55511682    -13.08128205
  O     18.29006155     12.00497015    -19.01498023
  H     17.68589117     11.20205653    -12.34786223
  H     17.58761428     17.31330014    -14.22856320
  O     15.46064714     10.29854332    -14.32008235
  H     18.26019380      9.83468223    -12.80595114
  H     17.60243803     17.06023013    -17.65204000
  O     20.70557408     17.24604900    -15.66321302
  H     21.78515999     14.33367538    -16.77030572
  H     16.14858232     16.66231780    -17.97263794
  O     17.84299953     13.10478064    -12.59287481
  H     20.84079288     14.80268125    -17.88749641
  H     16.72249272     15.74206331    -11.92168074
  O     19.70961544      9.12964620    -13.64875136
  H     19.91679117     16.69137020    -17.24091574
  H     17.53574732     16.03484001    -10.63438962
  O     15.36357821     15.25034424    -18.92013990
  H     18.95541565     15.50496627    -17.16607172
  H     20.14459808     10.92927309    -16.67371164
  O     18.42781319     16.91017905    -13.96974370
  H     15.14624869     14.82877178    -13.24241814
  H     18.68492129     10.88511793    -16.12457595
  O     16.68597734     17.25266600    -17.42850474
  H     15.34772988     16.32238347    -13.62479293
  H     18.30769004     15.46776638    -15.09715544
  O     17.61501933     15.71256276    -11.52796992
  H     19.94424582     12.18823903    -14.80377406
  H     18.88868655     14.05128247    -15.31666364
  O     19.61544582     10.76930069    -15.88208701
  H     19.32363017     12.99792487    -13.62056351
  H     18.48649270     15.16529459    -19.25775757
  O     18.29252215     14.70814283    -15.69513943
  H     19.21085288     11.78137235    -18.83416856
  H     18.01936639     13.70574257    -19.53163381
  O     17.83666587     14.63658126    -19.73324025
  H     17.77471732     11.58525233    -18.31727566
  H     15.60510708     14.21989590    -17.38476052
  O     15.91362889     13.75286057    -16.60123914
  H     14.83187198      9.60057228    -14.15964102
  H     16.75370993     14.15903439    -16.33277525
          69
 Energy    -248.73768479004357     
  O     15.20087457      9.17363635    -15.09140515
  H     14.23410659      9.19027360    -15.06850928
  H     17.87370340      8.62818982     -9.86570141
  O     15.76826773      4.89754059    -13.64064945
  H     15.53200103     10.07979877    -15.04147705
  H     15.44764045      8.68552209    -13.38718170
  O     19.67653320      6.40199347    -11.70517321
  H     15.14864142      4.36360915    -14.15286673
  H     16.72089847      8.27203905    -12.63671157
  O     14.42394228     12.15841207    -12.65671073
  H     15.25581416      5.30195988    -12.92590632
  H     11.74203003      9.76079337     -9.92931641
  O     11.73056547      5.37528344    -14.54341046
  H     19.05090780      5.65477732    -11.72587213
  H     13.12290699      9.79765949    -10.61713829
  O     12.47426510      8.89895978    -14.79690168
  H     20.55146109      6.03028233    -11.63791091
  H     15.35255715      6.14171329    -16.65537016
  O     14.50723739      6.20539536    -11.54374676
  H     14.62400071     11.61057351    -11.88939816
  H     14.34694371      4.98529284    -16.48679315
  O     18.18251174     10.76808505    -12.73026256
  H     13.51202822     11.94283304    -12.90156516
  H     12.00145837     10.46613305    -13.85558265
  O     12.10926449      7.04270729    -16.84630235
  H     11.73611678      5.97466001    -13.78721155
  H     11.83408853     10.66929858    -12.34104503
  O     18.39381402      8.09981348    -13.49925110
  H     11.69496760      5.93432949    -15.33016237
  H     17.14764614      4.51715319    -12.43898338
  O     16.21995232     11.74007837    -14.59541468
  H     12.26245739      8.35506750    -15.56624005
  H     17.23207708      4.69814796    -10.90689554
  O     17.94348609      7.66976536     -9.78907593
  H     12.38639729      8.32955150    -14.01872554
  H     16.39632618      6.21698602    -14.79365247
  O     15.76998073      8.39122238    -12.52460268
  H     14.96392787      5.93034068    -10.73985353
  H     16.17839097      7.65525778    -15.38081405
  O     12.18735845      9.57447387    -10.75260391
  H     14.96617953      7.00213474    -11.85919813
  H     13.00810285      4.23298072    -14.89581632
  O     14.51995105      5.79041081    -16.99123364
  H     17.57720690     11.16208160    -13.36882700
  H     13.44821955      2.81058941    -15.32088248
  O     11.90079373     11.14669055    -13.17667619
  H     18.39631013      9.89076445    -13.07809809
  H     18.18291316     11.13975361     -9.59205843
  O     17.75975974      4.50257836    -11.69086938
  H     12.99444711      6.65397022    -16.96483290
  H     17.85784349     10.65204779    -11.02183707
  O     16.72643475      6.85726109    -15.44185801
  H     11.69560401      7.05462749    -17.70500866
  H     12.02876096      8.04141898    -11.86978639
  O     13.77015149      3.69657316    -15.17990316
  H     18.92355190      7.48031618    -12.98188420
  H     12.93659408      6.82798033    -12.13522436
  O     17.65881455     10.50895709    -10.07853143
  H     18.01888699      7.62768967    -14.25369601
  H     16.83007374      6.36260994     -9.51776681
  O     12.18138211      7.31944197    -12.49151415
  H     16.33375176     12.51435329    -15.13963779
  H     16.24706445      5.29707334     -8.55783552
  O     16.26003585      5.57322895     -9.46992819
  H     15.56448471     11.96816559    -13.90967978
  H     15.16341860      9.53872350    -11.31813429
  O     14.90131478     10.17668133    -10.63536165
  H     18.64254986      7.38161158    -10.38854959
  H     15.73103652     10.41203050    -10.20574740
          69
 Energy    -248.73765196595539     
  O     21.36924951      6.40845731    -11.10975837
  H     20.88021819      6.69603555    -10.32893520
  H     17.43583398      8.51945339    -15.20423540
  O     15.39586552      7.68908807    -10.69542873
  H     21.28622783      5.44829576    -11.15866037
  H     17.72320262      6.34105039    -12.00210335
  O     12.60546122      9.96210034    -13.62317277
  H     16.08042358      7.07695590    -10.39465833
  H     18.43980587      6.24693125    -13.40607352
  O     11.45311551      8.01960031    -11.84075755
  H     15.84902914      8.44304603    -11.09732393
  H     15.21613960      8.41782192    -14.71277178
  O     18.27793623      3.47348893    -10.64334631
  H     12.06542243      9.34344721    -13.11615359
  H     14.09654827      7.53181901    -14.11399328
  O     13.73059648      6.52099850    -12.60618529
  H     13.14475877      9.41602477    -14.21119106
  H     17.77117176      5.11977554    -10.24384136
  O     21.03336593      3.61666436    -11.38764386
  H     11.97483828      8.45115200    -11.13978611
  H     18.29069486      6.50661940     -9.72881825
  O     17.28107016      2.66053234    -13.23294011
  H     10.58337334      7.86581447    -11.48258154
  H     19.27168289      6.57879791    -15.42675038
  O     15.59457094      4.75884399    -13.72396201
  H     17.89363633      3.12619740    -11.45717841
  H     20.24586376      6.92388342    -14.25535048
  O     20.96027227      8.16475161    -13.10691927
  H     19.23392152      3.46595546    -10.77931494
  H     13.58908788     10.89664070    -12.52500659
  O     19.94841703      3.53326283    -13.85836014
  H     12.85489521      6.86328947    -12.39074111
  H     13.91758574     12.25097476    -11.85314930
  O     17.01120106      8.71875171    -14.36333208
  H     14.33134975      6.87626493    -11.93354668
  H     19.84357615      7.96612901     -8.28570308
  O     17.60858883      6.44153394    -12.95546531
  H     21.70345056      2.94644314    -11.28316207
  H     19.51012812      8.27019904     -9.76937330
  O     14.31228879      8.10773794    -14.86239425
  H     20.71590441      3.55684254    -12.30733096
  H     19.66355982      9.06282806    -11.88533010
  O     17.57196263      6.06700943    -10.19876057
  H     16.90305412      1.81430632    -13.45986402
  H     18.32069761      9.63667858    -11.34906602
  O     19.76893787      6.20237434    -14.68897015
  H     16.60231178      3.32786775    -13.42680313
  H     15.08508340      6.76025285    -16.00410634
  O     14.13850192     11.32351461    -11.84303281
  H     16.31974351      5.35292937    -13.46924400
  H     15.67160317      5.43249664    -15.53134083
  O     19.68827830      7.55416082     -9.13079231
  H     14.79922584      5.15748851    -13.34942473
  H     17.24571541      6.83352003    -16.56452797
  O     19.20270373      9.34330330    -11.08673803
  H     21.17177842      7.52741943    -12.39844838
  H     18.20342649      7.53179819    -17.55782351
  O     15.70205083      6.06248018    -16.26187669
  H     21.74685857      8.68559042    -13.24889800
  H     13.91306850      8.65072736    -10.10493582
  O     18.07166833      7.34629664    -16.63200458
  H     19.03415133      3.23701956    -13.77009888
  H     13.44809367     10.05200699    -10.52856116
  O     13.14758638      9.24312687    -10.09692413
  H     19.92792987      4.41082875    -14.26370491
  H     16.71419007      9.67444962    -12.85455172
  O     16.58081012      9.93344185    -11.93106924
  H     17.18343508      7.94364618    -13.80290451
  H     15.80572467     10.50839284    -11.89988321
          69
 Energy    -248.73748644813335     
  O     17.91017779     15.15056860    -16.15854871
  H     18.62696959     14.81002136    -16.70726704
  H     18.12443688     10.45771422     -8.70534186
  O     21.28416427      9.54537235    -15.41025430
  H     18.33155226     15.49942144    -15.36251612
  H     20.90665215     16.77784564    -11.26496361
  O     19.60306686     13.34319651    -10.18319512
  H     20.64010130      9.11591492    -14.82056920
  H     20.72007382     18.25067561    -11.70143622
  O     20.22619487     10.09949245    -11.50850903
  H     21.83544663      8.85210526    -15.76316059
  H     21.12831488     12.67514486    -11.00389441
  O     16.21444705     10.82360548    -11.21819390
  H     19.19520175     12.56218506     -9.79281726
  H     22.63559273     12.89548857    -11.24196771
  O     19.51110423     11.56601934    -16.17447723
  H     18.97150613     13.67689252    -10.83901370
  H     17.72908160     10.68714699    -13.67172389
  O     21.52053638     14.42153411    -15.03580853
  H     19.62065356     10.25861344    -10.77280726
  H     16.73446836     10.23661126    -14.76091093
  O     21.27007406     15.61030200    -10.01497116
  H     20.98989173     10.67841231    -11.37513602
  H     19.90721630     13.02730310    -17.06912286
  O     22.37123395     11.97012226    -14.18027015
  H     16.39565062     10.32096558    -12.02507761
  H     20.36349661     13.75423980    -18.35887330
  O     15.73541836     12.80419851    -13.37258162
  H     15.79817983     11.63373220    -11.52663651
  H     22.33353939     16.55714318    -12.88963371
  O     16.70707930     11.04159538    -16.38689918
  H     20.13359103     10.82909897    -16.14447064
  H     22.60478441     15.45512428    -13.93365716
  O     18.35801056     10.86740400     -9.53433387
  H     19.37197123     11.80855929    -15.24591529
  H     20.12638279     15.23513237    -14.21185058
  O     20.78310326     17.36033364    -12.03599394
  H     21.19322045     14.34413963    -15.93817596
  H     19.77426279     16.40302691    -13.25555471
  O     21.92088825     12.26007597    -11.37371202
  H     21.82178304     13.54012997    -14.76394411
  H     23.51043233     14.94269543    -11.86127359
  O     16.96264776     10.11137342    -13.82761063
  H     22.13197472     15.22161221    -10.20930385
  H     24.59462240     14.52255534    -10.84058568
  O     20.11998141     13.89836380    -17.44842599
  H     20.65764093     14.86926055     -9.91822366
  H     18.52106390      8.78328044    -13.77570641
  O     23.00732012     15.94095374    -13.20089829
  H     22.05972048     11.12202918    -14.51398427
  H     19.74233616      8.91799168    -12.84169004
  O     19.38701258     15.73929122    -13.83965504
  H     22.21870696     11.97928664    -13.22669133
  H     19.55898719     11.31976666    -12.80748853
  O     23.67234659     14.41729082    -11.05679478
  H     15.57264093     13.20210557    -14.23861367
  H     18.73774661     12.63067845    -13.00807122
  O     19.44242746      8.52322634    -13.67415280
  H     16.03811640     11.91004106    -13.56898416
  H     16.43790023     14.25173523    -16.08952626
  O     19.07443786     11.84503793    -13.45546968
  H     16.29783488     11.91536411    -16.37188091
  H     14.96548799     14.13111325    -16.54840147
  O     15.63685662     13.70124385    -16.02542804
  H     17.65684691     11.19511455    -16.47833360
  H     17.09650718     13.77767551    -12.60289181
  O     17.93540036     14.06756674    -12.22093475
  H     17.55741401     10.85731991    -10.08753825
  H     18.34497011     14.72060120    -12.80735163
          69
 Energy    -248.73742447420179     
  O     17.96201460      8.33362925    -15.77859732
  H     18.50321957      8.31005079    -14.98212853
  H     17.80874872      9.80788746    -16.81201897
  O     14.82434860     10.36239648    -11.38060439
  H     17.13794096      7.88943020    -15.53961845
  H     14.98637797     10.83910478    -18.96572713
  O     18.67607239     14.91470315    -14.82722199
  H     15.50928956      9.77603231    -11.72982009
  H     16.05700640     10.88311736    -17.84562425
  O     15.48540579      7.44954630    -14.71704123
  H     15.17554434     11.26351920    -11.37132456
  H     18.51463718     14.13853542    -13.01155257
  O     13.27743927      8.67419940     -9.86984080
  H     17.72011063     15.10067247    -14.86176521
  H     18.69953162     12.68840967    -12.57536606
  O     15.02952778      6.61593652    -10.83701008
  H     19.11530811     15.76133477    -14.84515617
  H     13.46872417     13.19035580    -15.03248592
  O     16.23055208     11.59018086    -14.22834822
  H     15.04259500      8.23421544    -15.07471839
  H     12.74746093     12.34335626    -13.95401585
  O     12.85140644     10.52833604    -13.42804749
  H     14.80850270      6.89422513    -14.31097999
  H     18.28106379      8.42367174    -12.75427090
  O     16.56983660      8.33719036    -12.31332352
  H     13.81928337      9.34560724    -10.31965936
  H     19.72334917      7.86701756    -12.69370277
  O     18.95750588     11.21092878    -13.65877656
  H     13.04745545      9.03285784     -9.01682841
  H     12.98790696      5.29840413    -13.44048676
  O     14.51668568      9.87071312    -15.54264491
  H     14.53865022      6.27771385    -11.59702485
  H     12.90027127      6.76879687    -12.96853497
  O     17.66369819     10.62533886    -17.31254651
  H     14.41655055      7.19516613    -10.36668353
  H     13.63114301     14.42514045    -13.23102029
  O     15.11248121     11.03410896    -18.04203679
  H     15.97043545     12.05501688    -13.42272694
  H     13.59501900     15.66300992    -12.30060240
  O     18.40566956     13.55332683    -12.25413032
  H     17.16474652     11.37549168    -14.12221175
  H     15.22889199     13.67510030    -11.98118681
  O     12.89777304     13.24808119    -14.25538775
  H     13.51188230     10.50978846    -12.72129478
  H     16.70560290     13.19382586    -11.81999229
  O     19.16520146      8.48575429    -13.15681774
  H     13.30685219     10.24927228    -14.23586759
  H     15.51378656     12.65917283    -15.52668526
  O     13.51721557      6.06648280    -13.24262872
  H     16.17566869      7.71228633    -11.68654037
  H     14.95173646     12.58428296    -16.95862489
  O     14.18321817     15.02643661    -12.69691799
  H     16.22679348      8.08872009    -13.18412652
  H     12.23256224      8.23994675    -11.42080381
  O     15.77989289     12.90808409    -11.78294326
  H     19.17091337     10.28081018    -13.51831607
  H     12.07310895      8.93058884    -12.78529120
  O     14.99807603     13.15370681    -16.18282554
  H     19.31456849     11.49424689    -14.50972073
  H     15.45406873     15.38915613    -14.10039929
  O     11.95205556      8.08599859    -12.33172643
  H     14.55872371     10.16640518    -16.45917212
  H     15.62852613     14.72535246    -15.47941497
  O     16.02682946     15.36849928    -14.87549115
  H     15.16971147     10.40225169    -15.05869416
  H     19.17259782     13.37750221    -15.68478686
  O     19.46852680     12.54051819    -16.07773459
  H     18.24800021     11.29247660    -16.93988275
  H     20.25033786     12.73992631    -16.58803562
          69
 Energy    -248.73730278727618     
  O     -2.77932485     -0.49958718      3.72809145
  H     -2.99285023     -0.34647160      4.65699206
  H      1.71452721     -1.81193080      3.72386153
  O     -3.75814639      2.76548722      5.48304554
  H     -2.26663617     -1.31583811      3.64987289
  H     -2.82153473     -5.15869448      5.10030251
  O      1.81745760     -0.59062547      2.30085137
  H     -4.41362767      3.43512184      5.66087396
  H     -2.71469197     -3.74945364      5.73089269
  O      3.24551944      1.79250990      2.72326398
  H     -3.54964560      2.82635382      4.53419729
  H     -0.64310945     -2.77055873      9.39018263
  O      0.88894689      0.08834450     -0.30415791
  H      1.06459065     -0.12705876      2.70480852
  H     -0.42894515     -2.88407069      7.86238738
  O     -1.13346365     -2.64280629      3.23037100
  H      1.66706639     -0.54154206      1.35148120
  H     -0.10391306      0.31707435      7.04135586
  O     -1.28504350     -1.14523661      0.71000796
  H      2.93950786      0.87941811      2.63723758
  H     -0.85157387     -0.55555732      8.07543463
  O     -3.57160226      0.47550639      1.35426531
  H      2.77259086      2.27045337      2.03356555
  H      0.69569784     -3.32060835      5.83554866
  O     -3.12496754      2.92061031      2.84431736
  H      0.07471340     -0.33310057      0.02735268
  H     -0.59723859     -4.14189942      6.00978128
  O     -0.41323004      3.41294726      2.56346466
  H      1.09255798     -0.33387010     -1.13474145
  H     -2.04868609      3.00847369      6.33723434
  O      1.50383852      2.69469909      0.58132879
  H     -0.28835683     -2.46223843      3.66333716
  H     -1.06668227      2.20505574      7.20940033
  O      1.33420341     -2.11820745      4.55774080
  H     -1.55952312     -3.34003069      3.74719395
  H     -2.54123079     -2.56683551      7.61246162
  O     -2.29884516     -4.36154006      5.09677215
  H     -2.07009681     -0.59739484      0.83375558
  H     -3.47284022     -1.69889944      6.75161894
  O     -0.88282071     -2.37394590      8.55691691
  H     -1.22803618     -1.73154080      1.47398822
  H     -1.17192877      0.43991652      3.56403323
  O     -0.87521387      0.29884512      7.62784573
  H     -3.40809125      0.11785864      2.24692599
  H     -0.35120908      1.71604643      3.21293129
  O      0.16578043     -3.79681162      6.48870022
  H     -4.46487142      0.23292389      1.12156728
  H      1.56626895      3.52605045      5.16145606
  O     -1.17080041      3.03803390      6.73586923
  H     -3.29747048      2.21161646      2.21616777
  H      0.09839812      3.69828156      5.61973920
  O     -3.24082745     -2.61541108      6.94843860
  H     -2.21428119      3.20875398      2.68581738
  H      3.22246847      2.20406124      4.42254893
  O     -0.27987686      0.80052564      3.51128652
  H      0.24255053      3.30202532      1.86715178
  H      3.94585009      2.65812597      5.71320199
  O      0.73802684      3.96470955      4.94173355
  H      0.03402243      3.72890648      3.36728175
  H     -3.60917817      1.03101544      6.11547387
  O      3.10268090      2.36978345      5.37479044
  H      1.26160201      1.81608603      0.24923929
  H     -2.47920850      0.21642685      6.80303516
  O     -3.32705934      0.13489832      6.34018786
  H      1.73618011      3.21959209     -0.18168957
  H      1.90157402      1.01023095      5.80586004
  O      1.17679035      0.37383115      5.79880223
  H      1.32436388     -1.33348428      5.12561378
  H      0.61523091      0.61352347      5.04423128
          69
 Energy    -248.73703119436558     
  O     13.83901732      4.46146036    -10.39144584
  H     13.81341560      5.23352084     -9.81430206
  H     17.20718028      9.48261649    -11.72104397
  O     14.90805516      9.29615453    -14.94327090
  H     14.76046160      4.36731890    -10.66630683
  H     15.29404776      8.47964382    -11.96179730
  O     18.31708116      9.44448089    -13.13606661
  H     14.01352878      9.58609280    -15.15320855
  H     13.80599936      8.05386038    -11.95605084
  O     15.12265403     11.82569425    -11.65238098
  H     14.81852348      8.85539996    -14.08384532
  H     12.55823211      4.21092632    -11.51840996
  O     11.25730238      7.30130268    -14.95542359
  H     17.96326012      8.76629847    -13.72938416
  H     11.44010719      3.26031033    -12.00291565
  O     19.18963050      4.30953455    -11.92765952
  H     19.16498261      9.11989105    -12.80893696
  H     21.45978069      8.38690401    -11.89073011
  O     12.94240821      5.24839211    -14.51629386
  H     15.59115997     11.77815503    -12.50536374
  H     20.18925980      7.65678809    -11.38972702
  O     16.65224595      7.05210099     -9.67431812
  H     15.21826079     12.71966009    -11.33415253
  H     15.14224274      6.50777846    -13.17182740
  O     12.52660630     10.65727540    -12.04022417
  H     11.92331256      6.59717796    -14.85072957
  H     15.90289360      5.21353922    -12.83895917
  O     19.51912897      6.14808556    -13.90969221
  H     10.61569068      6.96978850    -15.57914158
  H     15.90903041     10.78114041    -14.43463904
  O     12.15116530      9.92262947    -14.84536790
  H     19.28869723      4.89894785    -12.69653366
  H     17.26975953     10.91964103    -13.73984853
  O     16.52511453      9.45047800    -11.03363746
  H     19.75337747      3.55669710    -12.08294863
  H     16.67581580      6.80063421    -14.46857882
  O     14.61494312      8.02887851    -12.48025696
  H     13.88690921      5.32759228    -14.33147683
  H     16.50866749      8.14025853    -15.19793306
  O     11.83683457      4.11167879    -12.16549036
  H     12.56945906      4.76406823    -13.76812591
  H     19.39287654      5.74833890    -10.66283857
  O     20.57022285      8.15064859    -12.13815447
  H     16.67292358      7.93043063    -10.08184891
  H     18.53315135      6.76220267     -9.87651234
  O     15.53866701      5.71805228    -13.57599587
  H     15.77573091      6.97383460     -9.27763255
  H     10.99653320      5.79733647    -12.12013283
  O     16.47074443     11.41384563    -13.96519654
  H     12.42449437     10.47302330    -12.98119132
  H     10.77293859      6.97295457    -13.08785704
  O     17.17728874      7.53437816    -14.85693069
  H     13.38220590     11.09128306    -11.93374208
  H     17.42006368      4.40448357    -11.41040467
  O     19.42048439      6.60791313    -10.22354937
  H     19.98156753      6.85171380    -13.43669218
  H     16.59706415      5.50765078    -10.69417459
  O     10.70204193      6.71690123    -12.16140953
  H     18.80569177      6.57526385    -14.39821146
  H     13.38969752      7.42819619     -9.49823857
  O     16.52185002      4.67728897    -11.18711218
  H     11.82002828      9.01013566    -14.87555441
  H     13.53975587      7.01211196     -8.01812300
  O     13.92585569      6.89800950     -8.88309195
  H     11.54299986     10.45119161    -15.35700049
  H     11.75429310      7.72928668    -11.15904701
  O     12.44518268      8.25607089    -10.72966317
  H     16.04790207     10.28853760    -11.06745463
  H     12.38283900      9.16180601    -11.06734104
          69
 Energy    -248.73695545853911     
  O     11.40412976      6.26156264    -11.70572443
  H     10.48746683      6.01602439    -11.62058993
  H     15.85175766     10.33139790    -14.41126873
  O     17.21983767      5.33787815    -12.22932032
  H     11.46573529      7.20838441    -11.47997659
  H     16.15923488      6.84261602    -12.49621643
  O     13.19839143      7.04551275    -17.44072041
  H     16.55333102      4.70300465    -12.51645116
  H     14.76846578      7.33658179    -12.99566047
  O     14.99553429      7.02452784     -9.32377009
  H     17.80703236      5.51043403    -12.98248761
  H     12.94917235      5.36344957    -11.11374639
  O     14.59367867      5.41200311    -15.46611600
  H     13.96622193      7.43218688    -17.88228144
  H     14.16774677      4.59598296    -11.67378253
  O     12.59453913      9.68399119    -13.90693641
  H     13.54561065      6.34164898    -16.88225400
  H     18.33945807      6.06442784     -9.29392580
  O     14.46859357     10.48378615    -16.89424355
  H     14.59516607      6.30200120     -9.82934030
  H     17.62863208      6.05694826    -10.66632145
  O     18.72315397      6.07011312    -14.38143875
  H     15.94834670      6.91356879     -9.40691988
  H     14.99101843      2.89979337    -13.44774558
  O     17.08179626      9.03935982    -14.60773262
  H     14.05825909      6.00201647    -14.90998041
  H     14.90492793      4.30578646    -14.07807589
  O     16.78864174      6.94184871    -16.34722416
  H     15.38423646      5.89998253    -15.73740107
  H     15.05201019     10.03398343    -10.68640471
  O     19.59068456      8.66710391    -13.45780007
  H     12.22669004      9.63897737    -14.79934106
  H     15.63584295      9.18771780    -11.83058282
  O     15.12368537     10.88305558    -14.08545551
  H     13.44466399     10.14119097    -13.96966451
  H     17.50415874      9.57946049    -11.12102614
  O     15.65516032      7.62492209    -12.74761615
  H     13.54387687     10.21041871    -16.83769936
  H     18.17569533      8.29168885    -10.59075916
  O     13.83403193      5.04658245    -10.89106536
  H     14.69996118     10.80883862    -16.01727922
  H     14.22095108      8.55373739     -9.34873912
  O     17.78174382      6.58689845     -9.86513887
  H     19.12440597      6.91147606    -14.12837922
  H     13.65792563      9.74304153     -8.53256903
  O     15.06630080      3.82964516    -13.24698414
  H     18.18682903      6.24492805    -15.16452376
  H     15.75303321      8.75381974    -19.24126045
  O     15.67024954     10.06926303    -11.42598609
  H     16.58677124      8.52351157    -13.94894863
  H     15.23066391      9.20354539    -17.85765732
  O     18.34070946      9.09832167    -11.09513982
  H     17.99770232      9.06171941    -14.30459072
  H     12.42290179      9.15408607    -10.65810332
  O     13.80698004      9.43443154     -9.42198695
  H     16.89485113      7.71186821    -15.76729253
  H     11.97881348      9.32135894    -12.13800169
  O     15.50450150      8.42868942    -18.38006911
  H     16.46610128      7.31051692    -17.17783054
  H     12.27996651      8.43348748    -16.86118213
  O     11.74399041      8.90592601    -11.29830752
  H     20.43941217      9.10066685    -13.46739758
  H     11.09207941      9.39604465    -17.09628697
  O     11.88977803      9.28232768    -16.58655852
  H     19.20078848      8.83166767    -12.57979580
  H     12.94527650      7.91786492    -13.86596618
  O     13.14921869      6.97779830    -13.76716795
  H     15.25657624     10.89534623    -13.12814621
  H     12.51955781      6.61986664    -13.12968643
          69
 Energy    -248.73688682778925     
  O     -1.27460362      3.82843833      2.82226420
  H     -0.81858090      3.04554818      3.15622840
  H     -0.67258146      8.32854722      0.58386950
  O     -2.53957178      5.88235680     -0.45564714
  H     -1.97407032      3.55281437      2.21478923
  H      1.66293376      1.49465578      0.59454841
  O      4.46233947      6.47053282      0.80919465
  H     -1.66308483      5.93854237     -0.85507678
  H      0.18874179      1.10069313      0.55676936
  O      1.95974352      7.09839662      1.90552471
  H     -2.56876058      6.57105843      0.22157871
  H     -0.53540762      3.30234324     -3.05856816
  O      0.17536937      6.04346147     -1.31279605
  H      5.27681520      6.92735834      0.61708473
  H      0.13487846      4.37361859     -2.16821246
  O      2.26856722      3.09076159     -0.48619244
  H      4.04327378      6.26769765     -0.04619850
  H     -2.77816720      1.60081417     -3.12640703
  O      0.68262770      4.75371661      1.03029183
  H      1.90045141      6.99947268      2.86475524
  H     -2.38868696      1.03735597     -1.75538111
  O     -2.27393023      7.83222992      1.54077945
  H      2.88005751      6.96949967      1.64304956
  H      2.89731766      3.83896812      3.27543104
  O     -1.14612035      1.74289399     -0.51800529
  H      0.32202400      5.52806743     -0.50063849
  H      1.67557305      3.16190317      3.94189122
  O     -1.17648382      6.48212349      3.61303566
  H      0.17389659      6.96908931     -1.02189607
  H     -4.40992543      3.92077773     -2.08940442
  O     -3.03460224      3.39847674      0.72211258
  H      1.74025680      3.61534515      0.14168145
  H     -3.51562256      5.15981487     -1.89788326
  O      0.17093095      8.34845428      0.11552435
  H      1.70644771      2.98227480     -1.26362136
  H     -2.73312164      3.72807706     -3.58945955
  O      0.99750928      0.99727686      1.07978427
  H      0.02446322      4.44106720      1.66110169
  H     -2.22351148      3.34188147     -4.99890045
  O      0.13310654      3.42868740     -2.37204248
  H      1.12949499      5.51798285      1.41925904
  H      0.37425084      0.98166259      4.18391822
  O     -3.09259672      1.02496453     -2.41892771
  H     -1.88044864      7.37889943      2.30811666
  H      0.66272372      1.41987163      2.72852270
  O      2.26654443      3.91943756      4.00526551
  H     -2.88904154      8.47308022      1.88737529
  H      1.79030863      5.51230811      4.42609330
  O     -3.88397476      4.57202299     -2.56994293
  H     -0.69024003      2.32682159     -1.14001732
  H      1.86800521      6.68930638      5.42904327
  O     -2.09347710      3.17179610     -4.06962745
  H     -1.77779925      2.29510915     -0.03795052
  H      4.26222542      4.69060891      1.52095141
  O      0.41356713      1.74382816      3.61251418
  H     -1.29997539      5.53688813      3.44467222
  H      3.61584823      3.40492885      0.98586539
  O      1.52816901      6.44031907      4.57434327
  H     -0.30824595      6.56076747      4.02321801
  H     -5.84559985      1.97190302     -1.02064156
  O      3.96975307      3.80918713      1.78468559
  H     -3.80701763      3.03899666      0.26894941
  H     -4.39776901      1.82596256     -1.54958855
  O     -4.99693240      2.40504276     -1.04497216
  H     -2.87291394      4.27393650      0.33994100
  H      2.99728190      4.73492492     -1.22424193
  O      3.10025273      5.67693979     -1.41030564
  H      0.82938155      8.05225304      0.76031187
  H      2.20530935      5.99877341     -1.56051808
          69
 Energy    -248.73679990098469     
  O     13.28454984     12.77629095    -16.38594985
  H     12.67944501     13.21233826    -16.98048351
  H     14.84483299      6.60946394    -14.52020603
  O     17.33607553      6.89862381    -12.55429635
  H     13.09314796     11.82497876    -16.43956953
  H     17.95843349      9.67778647    -14.91373135
  O     19.34850533     10.49235937    -14.13708054
  H     16.52960264      6.61256579    -12.10857243
  H     16.46491054      9.83829026    -14.51415780
  O     18.04835951     12.94590750    -14.84372120
  H     17.20265201      6.68942948    -13.48643737
  H     14.53208180      6.84845875    -17.60140442
  O     14.79793805      6.14630451    -11.44595287
  H     19.17080724     10.16456031    -13.24666462
  H     15.42062878      6.25493110    -18.71997338
  O     16.01240759     13.03482369    -10.32419113
  H     18.94369910     11.36667394    -14.21597176
  H     14.94840155     11.50772967    -13.48434347
  O     14.30344464      8.51790281    -10.27540067
  H     18.65632329     13.52973329    -15.29332909
  H     15.67921470     10.54953137    -12.47939024
  O     13.96589562     13.04976282    -13.66659732
  H     17.37090013     12.70720586    -15.50012168
  H     13.93971205      9.87027161    -16.74391213
  O     13.00776609      7.09081140    -16.74640386
  H     14.59809573      6.98347915    -10.98891513
  H     13.00648004      9.77226615    -15.48679231
  O     16.36506959     10.31995662    -10.81907133
  H     14.67119362      5.44780089    -10.80967745
  H     19.46530609      8.77619034    -11.20652931
  O     16.49334075      6.72192483    -15.28579825
  H     15.06410885     12.87383312    -10.48818573
  H     18.24088205      8.30777655    -12.02237447
  O     13.97248599      6.58480824    -14.09918357
  H     16.06514281     13.59549408     -9.55463234
  H     11.14762166      9.85950702    -11.23080856
  O     17.06407371      9.37638824    -15.11844078
  H     13.50252401      9.00345783    -10.50368083
  H     12.33180537      9.70443373    -12.21106880
  O     15.43908913      6.82404311    -17.95536858
  H     15.03521200      9.14406232    -10.36500740
  H     16.39911630     13.83477292    -12.07939806
  O     15.36045258     10.63932274    -13.38714546
  H     14.74836587     13.61145030    -13.54269437
  H     16.99749635     13.75886306    -13.51381346
  O     13.03809503     10.02305469    -16.42132163
  H     13.68933215     13.09011448    -14.58783719
  H     16.20459510      9.55990152    -16.62439933
  O     18.70574221      9.09599057    -11.68741289
  H     13.15153613      6.81666731    -15.83080332
  H     15.63332743      8.74408504    -17.79922786
  O     12.08977558      9.98551879    -11.31280231
  H     12.78464784      8.02801918    -16.71896550
  H     13.46462484     12.77601810    -11.93650063
  O     16.32633765     14.19376904    -12.97161944
  H     16.41678468     11.24733678    -10.55409070
  H     12.95309992     11.67628810    -10.99024238
  O     15.63885305      9.62601917    -17.41127342
  H     17.25071303      9.99178777    -11.02320644
  H     15.20356713     12.65471607    -16.62817331
  O     13.43929797     12.50767099    -11.00581692
  H     16.74395474      7.65690350    -15.20422163
  H     16.05328147     11.48708702    -17.13272119
  O     16.11533157     12.35333023    -16.71166829
  H     16.28684964      6.58848343    -16.21757036
  H     13.33757661      8.25073952    -13.83542409
  O     13.09620828      9.18316342    -13.75046291
  H     14.13219436      6.31843666    -13.18503552
  H     13.92106048      9.66999951    -13.59459991
          69
 Energy    -248.73646691505627     
  O     16.00833006     12.97150914    -13.90240625
  H     16.45254625     12.40996286    -14.56397304
  H     20.32682347     11.31880073    -13.62847672
  O     13.90659342      6.87329887    -13.69558647
  H     16.08249846     13.87120284    -14.20879892
  H     15.17381956      8.15134412    -13.43897671
  O     16.44846409      6.90939632    -10.04668285
  H     13.76919360      7.05919773    -14.63179096
  H     16.00874701      9.00544534    -14.41593831
  O     18.60563296      8.27058741    -13.32714588
  H     13.16887080      7.26918343    -13.20697030
  H     14.54876622     11.91911025    -13.54731830
  O     13.50069633      7.96799751    -16.28888449
  H     16.01115189      6.35616995    -10.71036038
  H     14.56107657     10.38695418    -13.43587662
  O     12.64540650      8.37951117     -8.69480707
  H     15.93351172      6.81639733     -9.23551225
  H     13.79338318      5.39233995     -9.14686703
  O     11.95461430      8.16786361    -12.25421160
  H     19.04220390      9.12071218    -13.46302616
  H     13.95795055      4.91223370    -10.60428122
  O     16.20774788      9.56634894    -10.83530723
  H     17.66229429      8.45987976    -13.25589490
  H     11.77024902      9.12696362    -13.91962573
  O     11.09823117      6.48088557    -10.21021630
  H     12.94365081      8.60651773    -15.80807868
  H     12.61193534     10.33048416    -14.35488172
  O     17.66572216      6.54815441    -15.33195115
  H     12.98929564      7.66206813    -17.03349158
  H     18.09811813      6.38069530    -10.86291833
  O     17.53219462      4.43164042    -13.31484808
  H     11.99437607      7.81562477     -9.13073672
  H     18.85310692      6.90232441    -12.10003065
  O     19.48569049     10.87745770    -13.70715935
  H     12.84975315      9.08638999     -9.31971761
  H     14.72172439      5.73379902    -12.60240015
  O     15.76905281      8.91242275    -13.48321797
  H     11.53420650      7.56963274    -11.62370685
  H     15.95804198      4.82286708    -12.40962684
  O     13.98225839     11.15828796    -13.36805196
  H     12.45722527      8.80985494    -11.73321592
  H     14.67655263      6.61233951     -6.98952753
  O     13.32279004      4.97411903     -9.87838555
  H     16.06840427      9.40097938    -11.77969958
  H     13.93818211      7.32769292     -8.14599912
  O     12.04875534      9.62418554    -14.69951990
  H     16.38770765      8.69806833    -10.44957589
  H     18.14572602     11.08280361    -15.08422562
  O     18.72855508      6.11898655    -11.54594071
  H     11.85354146      5.87137947    -10.12177744
  H     17.02214933     10.45531969    -15.95444108
  O     15.21841227      5.22959425    -11.94188897
  H     10.31598940      5.98914025     -9.97652000
  H     13.46384871     10.66272031    -11.59465342
  O     14.61514894      6.65869482     -7.93974547
  H     17.50765522      5.74604078    -14.82310960
  H     14.40365579      9.90433849    -10.65223574
  O     17.33091543     11.28168109    -15.56234622
  H     18.19885296      7.10360918    -14.74588629
  H     17.03437201     12.23438928    -12.41221478
  O     13.46699586     10.07309642    -10.82978126
  H     18.03960056      4.96876663    -12.67921203
  H     17.21334768     11.10084023    -11.36366488
  O     17.68876604     11.76022140    -11.88479173
  H     17.98913269      3.59826782    -13.39368926
  H     16.72794367      7.92065189    -16.04547540
  O     16.23848760      8.74630182    -16.19101081
  H     18.91413416     11.22441981    -12.99752189
  H     15.32216177      8.50815433    -16.37913826
          69
 Energy    -248.73627900665900     
  O     16.17278676     10.56236113     -8.99883946
  H     16.61347630      9.74973985     -9.30621535
  H     14.11032804      8.51858116    -14.59144748
  O     12.06650390      6.52176477    -13.12836203
  H     16.58964766     10.80724172     -8.17741297
  H     14.84789455      5.28392216    -15.52100278
  O     17.70765153      9.99121877    -15.08876971
  H     12.48512125      6.77310038    -12.29239274
  H     14.08960503      6.54785912    -15.09894913
  O     17.33890214      8.54071673    -12.74141699
  H     12.72778360      6.02361061    -13.62177958
  H     15.68472324      5.81276370    -13.58116162
  O     16.94927284     12.32409198    -13.72873664
  H     16.95888945      9.89389020    -15.69579906
  H     17.22375233      5.65118348    -13.67090056
  O     13.54499707      7.45923444    -10.95452981
  H     17.56977333     10.82402528    -14.61888990
  H     14.22833586      8.49810002    -12.27002671
  O     15.51706109      9.81602600    -16.80053536
  H     17.56574443      8.98184129    -13.56875426
  H     15.57195998      9.03635705    -12.82917088
  O     14.62900102     12.05094347    -15.43731804
  H     17.10445124      7.62321597    -12.94322762
  H     14.37213064     10.03782018     -9.25496366
  O     16.09826202      5.07175033    -16.93772344
  H     17.40221508     13.16370221    -13.71107187
  H     13.15114408     10.57080958    -10.01578480
  O     11.12194174      8.71091019    -14.45634484
  H     16.53510098     12.21785897    -12.85391707
  H     13.46528663     10.34910304    -13.30721748
  O     15.84947360      5.89485203    -10.40758904
  H     13.45699951      8.22327820    -10.36329114
  H     12.03492384     10.30832284    -13.87514120
  O     13.72252769      8.26147909    -15.44429105
  H     14.27608221      6.91381721    -10.64112794
  H     17.61362894      5.22817792    -15.75870245
  O     14.32374794      5.65592090    -14.80035795
  H     14.86184031      9.19895086    -16.44159155
  H     18.68419055      6.28840899    -15.43473005
  O     16.50161368      5.88513977    -13.06886455
  H     15.21341420     10.69010760    -16.51541496
  H     16.84996479      7.47498351     -9.94884830
  O     14.61792562      9.04977656    -12.96212495
  H     15.36712333     12.23962919    -14.84510032
  H     17.45704100      8.49428639    -10.92241756
  O     13.48035047      9.79971253     -9.53947187
  H     13.89655470     11.77872019    -14.87151267
  H     17.73658561      7.66994210    -17.40427738
  O     12.71817871     10.91445890    -13.56576091
  H     16.29594495      5.95458666    -17.29898137
  H     16.38046229      8.35949302    -17.64020962
  O     18.27217383      5.48313458    -15.09936414
  H     16.05879585      4.47596324    -17.68135454
  H     14.76137068     12.21584529    -11.26736205
  O     17.29594038      8.32878494     -9.98206554
  H     11.37810448      7.92550467    -13.93885014
  H     15.97378912     11.61120949    -10.54645613
  O     16.86435726      7.53824365    -17.79583777
  H     10.22987332      8.56054928    -14.75679172
  H     18.79483613      8.74641205    -15.79493213
  O     15.71746436     12.10807868    -11.33298973
  H     15.93235182      5.02840417    -10.01744179
  H     20.10579317      8.24366460    -16.43688107
  O     19.21636205      7.97878642    -16.21501059
  H     16.12435541      5.81027915    -11.33711695
  H     12.69605896     11.76741555    -12.01488507
  O     12.85944022     12.13108355    -11.12835983
  H     12.77713024      8.43071095    -15.35861375
  H     12.24192279     12.84751392    -11.00629623
          69
 Energy    -248.73620908485174     
  O     17.29918250      7.56680882    -15.86317539
  H     16.45264810      7.51141954    -15.38963339
  H     17.51227837      9.13013497    -16.87151249
  O     14.87661019     10.56456949    -11.18599918
  H     17.51924618      6.67773168    -16.13165709
  H     14.60804808     10.55062375    -16.89107220
  O     18.08152135     15.72958919    -14.53877692
  H     15.40548482     11.37396316    -11.14764580
  H     14.21734401     10.55806425    -18.38903711
  O     15.04315160      7.64377374    -14.30943169
  H     14.18606127     10.74518003    -11.83633951
  H     18.42720398     14.48174194    -13.16447521
  O     13.12308804      8.85547891     -9.83213119
  H     18.54520177     16.55733734    -14.63464629
  H     18.86330351     13.01243679    -12.95024338
  O     14.43135984      6.58326140    -10.54272407
  H     18.29821809     15.19605015    -15.32446051
  H     18.24441364      8.35837843    -14.33644142
  O     16.40565697     11.78752761    -14.23761623
  H     14.20688961      7.27122191    -13.99674405
  H     17.86939401      8.60613103    -12.86414686
  O     12.91936913     11.32579949    -13.11296725
  H     15.53339276      7.88703498    -13.50954947
  H     13.30495065      6.63224370    -12.12268521
  O     16.26653117      8.27617646    -11.90632776
  H     12.39790700      8.96629274    -10.45921047
  H     12.27295959      7.62500014    -12.68982341
  O     19.13889610     11.44113114    -13.99996379
  H     13.77969010      9.51864939    -10.08927396
  H     13.14886872     14.73568479    -12.45823422
  O     14.41489624     10.19079470    -15.15891690
  H     14.47168440      5.92963786     -9.84995043
  H     14.22390519     14.50264792    -13.54224569
  O     17.61652193      9.96558245    -17.34423796
  H     13.95409735      7.35059765    -10.17839957
  H     18.99540432     13.33115154    -16.75371111
  O     14.90017953     10.82237085    -17.77834605
  H     16.22003502     12.18906027    -13.38110033
  H     17.55421732     13.86227251    -16.83390881
  O     18.50231049     13.78724003    -12.49844057
  H     17.35466511     11.60526631    -14.24404971
  H     15.35735310     13.54031136    -11.93402671
  O     18.53591809      8.80571417    -13.53443724
  H     13.11641329     12.26964812    -13.06254061
  H     16.92580506     13.35320048    -11.84123709
  O     12.82198594      6.86755290    -12.92568568
  H     13.33871914     10.97752520    -13.91312815
  H     16.07767478     12.75980109    -15.74495719
  O     13.70524306     14.06349946    -12.84405565
  H     15.80818270      7.59697354    -11.39615489
  H     15.46640605     12.52899319    -17.14543100
  O     18.47143039     14.13872632    -16.69943621
  H     15.86796854      9.12085704    -11.64939700
  H     10.45576240      9.41772421    -12.17202392
  O     16.06415363     12.94973456    -11.65169649
  H     19.47492183     11.49029860    -14.90316117
  H     11.84106673     10.02946253    -12.46921836
  O     15.83504600     13.20795028    -16.57120133
  H     19.04783666     10.50272285    -13.77164740
  H     15.31926468     14.62529999    -15.48931004
  O     11.39271807      9.25371151    -12.09491100
  H     14.56119836      9.26860417    -14.91053377
  H     16.17916098     15.49365478    -14.56064994
  O     15.27185469     15.20419126    -14.71610759
  H     15.17183177     10.70007250    -14.82379127
  H     18.97278759     10.99896026    -17.01090807
  O     19.71585940     11.57595330    -16.75776637
  H     16.73085062     10.24705714    -17.59829789
  H     20.46903000     11.29527874    -17.27055045
          69
 Energy    -248.73594981244736     
  O     12.54311078     11.58168717    -15.20047254
  H     13.36507527     11.80277875    -15.65235343
  H     18.03127639      7.17055320    -14.01941800
  O     14.80675521      6.90346436    -12.56326886
  H     12.33226373     10.67363723    -15.46013453
  H     15.04629311     10.41544400    -17.53393781
  O     16.98292902      8.16769350    -16.58800413
  H     15.70946867      6.83011647    -12.23725086
  H     15.85918225      9.11576389    -17.67137683
  O     10.75358073      7.46504605    -13.89166339
  H     14.83825006      7.44066897    -13.37037051
  H     13.88212970      8.59628158    -15.16792840
  O     17.02386934     10.36852884    -10.04345659
  H     17.56031415      8.50586751    -15.89167243
  H     15.37608292      8.26468152    -15.51568455
  O     13.80609627      8.51250513    -10.60146814
  H     17.06831253      7.20477916    -16.59719934
  H     12.34351921     11.84289897    -13.50871356
  O     15.94266504     10.75901889    -13.94148824
  H      9.84193757      7.21627714    -13.76555708
  H     11.68070270     12.68571673    -12.39338039
  O     14.23862250      5.60643669    -16.61357015
  H     10.97690558      8.08392560    -13.17299542
  H     12.16218997      8.94379159    -11.35916958
  O     16.07825737      7.83252111     -9.04643739
  H     16.26008296     10.76673936    -10.48092007
  H     11.63226527     10.15323510    -12.15260621
  O     16.89416621      5.38789330    -16.33795451
  H     16.68575096      9.60927863     -9.55242734
  H     17.46350894      9.73482864    -14.12147039
  O     12.89807233      5.57231315    -14.18490799
  H     14.05841325      7.91678405    -11.32519762
  H     18.64431229      9.15059766    -13.34969739
  O     17.94088138      6.22880266    -13.82367772
  H     14.40866565      8.30180282     -9.88026076
  H     17.64963505      6.42404931    -12.08810326
  O     15.08938475      9.58621764    -18.02321330
  H     15.60441845     10.96841916    -13.06258699
  H     17.98995202      7.68037012    -11.28500875
  O     14.76755759      8.48298744    -14.79993247
  H     15.46133938      9.96245673    -14.22175237
  H     18.34958901      9.76014151    -11.00051943
  O     12.24211932     11.92994936    -12.54358274
  H     13.81220345      6.26304854    -17.17317536
  H     19.85819057      9.42616400    -11.08488570
  O     11.46001749      9.22409996    -11.96100775
  H     13.72648237      5.55190959    -15.79265843
  H     13.80063960      8.42799553    -18.19791080
  O     18.18454694      9.09329942    -14.19641234
  H     16.52544474      7.38237128     -9.78352385
  H     12.78157715      7.66197117    -19.07571945
  O     17.42756552      6.89449841    -11.26918548
  H     16.24544763      7.30991104     -8.26623825
  H     13.88155509     11.48420106    -11.77295531
  O     19.01612128      9.25296938    -11.49756178
  H     15.92357284      5.40319509    -16.43130575
  H     14.38896415     10.15717157    -11.17834031
  O     13.09468299      7.75597196    -18.18024234
  H     17.20665586      4.63768771    -16.83567548
  H     15.51142398     11.59997029    -15.46900683
  O     14.67986736     11.03398638    -11.46916220
  H     13.54051164      5.85571995    -13.52152034
  H     15.63819886     12.71237885    -16.53330621
  O     15.15262129     11.92091754    -16.31334976
  H     12.12204108      6.12826211    -14.04979174
  H     11.61930622      8.34700860    -15.24961051
  O     12.19139169      8.89000145    -15.80739327
  H     17.56419903      5.82613697    -14.61409155
  H     12.31508252      8.44878838    -16.65750378
          69
 Energy    -248.73592945856632     
  O     10.14960237      6.40587742    -12.90153809
  H     10.53647324      7.28906928    -12.92447668
  H     15.82987399      5.43468742    -14.02317720
  O     13.20602081      4.34280029     -8.60425936
  H     10.54251158      5.92446350    -13.63853288
  H     14.56954283      6.23355117    -12.55474031
  O     17.00735082      8.35558104    -12.95461239
  H     14.11284664      4.63584644     -8.77200104
  H     13.51495685      5.21398819    -12.11051846
  O     15.95512807      3.59375144    -13.51301180
  H     12.68824885      5.14271374     -8.45525699
  H     10.80292692      4.31790682    -10.60864338
  O     17.07542162      7.66640726     -9.31741722
  H     16.43359235      8.63267746    -12.22341798
  H     10.19837611      5.56050855    -11.32117874
  O     12.44229901     11.30904917    -13.78700856
  H     16.96287313      9.05175923    -13.62288401
  H     15.67119724     10.21061007    -15.18639970
  O     11.48893927      6.66472477     -8.57034454
  H     16.50750601      3.83446595    -12.74619921
  H     17.03074089     10.90888073    -15.42427871
  O     13.13687942      7.36503605    -15.00245296
  H     16.43576208      2.92744972    -13.99709690
  H     12.41248284      7.76288293     -9.77005085
  O     15.02404314     11.47561504    -12.54163068
  H     16.54189392      8.34951551     -9.74662145
  H     13.25638117      7.31502443    -10.98179266
  O     17.43459959      4.44246573    -11.44371068
  H     17.79268536      7.46389902     -9.92867503
  H     19.74661507      7.23607178    -11.62996955
  O     15.58936905      5.36233296     -9.56233213
  H     12.11183968     10.45523971    -13.45834042
  H     18.28818491      7.46641150    -12.08803283
  O     15.52557404      6.34336478    -14.13208627
  H     11.69564025     11.90156651    -13.81166934
  H     15.26609947     10.14621936    -11.35483698
  O     14.01202899      5.98193676    -11.80826814
  H     10.87875239      6.87910611     -7.87001172
  H     14.52218637      8.95525776    -10.68559032
  O     10.32155213      5.13692729    -10.45829802
  H     10.99144673      6.14453749     -9.22923104
  H     13.45411782     10.49914264    -15.18896161
  O     16.53757420     10.40302811    -14.78419497
  H     14.01407306      7.02029345    -14.77787935
  H     13.69071055      9.04181424    -15.63149480
  O     12.89667848      8.09797636    -10.53364133
  H     12.57029613      6.59362587    -15.12086212
  H     11.84568659      2.02062341    -10.22439219
  O     18.85328631      6.92161593    -11.51506337
  H     15.60101252     11.26754913    -13.28576463
  H     12.56503202      3.33741501     -9.85607210
  O     15.39783030      9.29786469    -10.90627493
  H     14.13148183     11.51739209    -12.90730014
  H     12.30080358      8.28162623    -13.62124759
  O     14.03851155      9.93930226    -15.71586397
  H     18.02752027      5.20154213    -11.49098975
  H     12.13301755      8.60900982    -12.09607635
  O     12.15561506      2.84472922    -10.59084335
  H     16.85454367      4.61364409    -10.68860849
  H     11.24568978      4.37910711    -15.54962552
  O     11.77800154      8.78457079    -12.97961939
  H     16.08319099      6.15999251     -9.32135270
  H     12.14300606      4.44162906    -14.29117346
  O     11.62497899      4.98001692    -14.91324060
  H     15.04279911      5.59509635    -10.32661466
  H     12.83364670      3.21580199    -12.23021424
  O     13.12871662      3.62045403    -13.05879479
  H     16.18135416      6.95579706    -13.77084538
  H     14.07956545      3.48293475    -13.16183780
          69
 Energy    -248.73587771384831     
  O      4.30905415     -1.55573145     -1.41563348
  H      4.58894758     -1.62043083     -0.48351302
  H      1.43464513     -2.45244781      4.17089315
  O     -2.22395246     -1.21798870      0.77683198
  H      5.02987805     -1.15314478     -1.89216772
  H      3.00639678     -5.78272902     -2.60652643
  O      0.34032047     -4.04072087     -2.40320945
  H     -1.75945684     -1.35429455     -0.06930299
  H      1.98873726     -6.52484655     -3.49174901
  O      0.05490116     -5.52132088      3.31401533
  H     -3.06886379     -0.82992464      0.56590783
  H      3.45747245     -4.58786707      1.66426031
  O      3.49974513      0.22333621      2.59387744
  H      0.25035814     -4.66692859     -3.13267633
  H      2.46544661     -5.59833907      0.98062550
  O     -0.64905439     -7.77944199     -2.15459375
  H      1.28476357     -3.98333191     -2.20207702
  H     -0.45815633     -5.01442703     -1.08958005
  O      1.15714541     -6.82958132      1.00948083
  H      0.45591506     -6.11251465      2.66693203
  H     -1.22423187     -4.99122929      0.25739730
  O     -0.80001108     -1.60251001     -1.50644312
  H     -0.55486731     -4.95635147      2.81961234
  H     -1.84226879     -2.95993790      1.43687691
  O      1.52669514      1.51638843      0.97307115
  H      2.90382684     -0.37726107      3.06093268
  H     -0.38841102     -3.43116673      1.37146537
  O      1.71809461     -0.66455015     -0.77491798
  H      2.92900491      0.79123545      2.06311305
  H      0.69846678     -4.04309032      6.02656905
  O      1.22729267     -2.77600000      1.01134534
  H     -0.92030283     -7.11048479     -1.51013368
  H      0.75123254     -4.51685040      4.56232070
  O      1.73453718     -1.80722788      3.51272965
  H      0.13674555     -8.19668541     -1.78085566
  H      2.43001588     -9.32960728     -1.20406727
  O      2.74697514     -6.66215809     -2.91032827
  H      1.47696589     -7.53025735      0.42753618
  H      2.30033209     -7.87900459     -1.72447481
  O      3.06852189     -4.85722196      0.82385853
  H      0.42973859     -6.40521375      0.52908786
  H     -0.16857864     -6.42544442     -5.04340705
  O     -0.87176009     -5.58002118     -0.42138339
  H     -0.55066099     -2.45011298     -1.89544771
  H     -0.16079651     -6.82509866     -3.54747880
  O     -1.28493297     -3.72867278      1.59875857
  H      0.03782195     -1.13660994     -1.37764149
  H      4.20208002     -4.03446109      4.00217108
  O      1.10875811     -3.86018568      5.18568770
  H      0.83164736      1.08308262      1.50152624
  H      3.28947898     -2.98135103      3.36778051
  O      1.93422389     -8.52307464     -1.09193564
  H      1.29662250      2.43958741      0.91589950
  H      0.20777642     -0.55287281      2.95738392
  O      0.22503084     -6.21459849     -4.20150051
  H      2.61628353     -0.85857874     -1.06928993
  H     -0.94964733     -0.39379544      1.93055342
  O      3.99810177     -3.60982493      3.17107682
  H      1.73893338      0.14471621     -0.24754077
  H      3.55459459     -3.23788080     -1.81420573
  O     -0.26623275      0.08638620      2.41573410
  H      1.37579205     -2.07404935      0.36534163
  H      3.17993419     -4.41996544     -0.89383481
  O      3.09298996     -4.08384678     -1.79916270
  H      1.87135103     -3.47774403      0.85596389
  H      4.87219920     -2.40452359      1.80481000
  O      4.94246815     -1.66321321      1.19734075
  H      1.52202847     -2.15051207      2.62948483
  H      4.53294842     -0.91552187      1.66022848
          69
 Energy    -248.73550353197277     
  O     15.58184725     10.35525074     -9.75173483
  H     16.06410501     11.19179848     -9.76903641
  H     11.54466551     10.40030689    -10.12741536
  O     17.48897823     12.11528783    -14.35776132
  H     16.04547897      9.76302910    -10.35926774
  H     12.54744477      7.69723628     -8.84551906
  O     10.98127471     11.36135134    -14.41563361
  H     17.85909262     11.65730361    -13.58199466
  H     11.23772268      8.27752117     -9.41474259
  O      9.89538868      9.75432046    -12.54194552
  H     18.22859020     12.43306274    -14.86860638
  H     14.86748626     13.13586104    -12.74898160
  O     13.45110231     12.02311486    -13.29143704
  H     10.55424844     10.80111288    -13.74277576
  H     16.33047387     13.16288702    -13.22752977
  O     15.17402132     10.63941333    -14.99312578
  H     10.28319409     11.82703056    -14.86804585
  H     12.04868558     10.08839507    -15.40747274
  O     16.99271343     12.71530567    -10.24565509
  H     10.14665862      8.83468767    -12.71093045
  H     13.54076672      9.90877792    -15.72437000
  O     16.92040555      8.56568861    -11.51020376
  H     10.02259752      9.89235236    -11.59650909
  H     14.87554364      5.77131218    -10.96899843
  O     13.88401148      4.40627189    -11.97228719
  H     14.04827500     11.52626616    -13.86992142
  H     14.47160322      7.24809161    -11.06778032
  O     18.35424326     10.94539955    -12.05901577
  H     12.56908099     11.93526684    -13.67508516
  H     11.60851311      6.07932054    -10.25316380
  O     13.40536870      8.32999071    -12.09355876
  H     15.98999549     11.14756030    -14.91157143
  H     10.79555492      4.79142827    -10.51351811
  O     10.68277245     10.06567591     -9.82240041
  H     15.36714578      9.74944256    -14.66169824
  H     14.46853059      5.09466429    -13.60654430
  O     11.69536647      7.44938691     -9.23250571
  H     17.29202245     13.47438746     -9.75317734
  H     15.11428519      4.76389805    -14.96873260
  O     15.74361455     13.47783055    -12.52850679
  H     16.50560986     13.05350694    -11.01898919
  H     12.44901053      7.71195351    -15.50309257
  O     12.68045628      9.48179777    -15.81138746
  H     16.56318779      8.50395542    -12.40796329
  H     13.14188594      6.38388883    -15.09173883
  O     15.08653162      6.64204479    -10.62211766
  H     16.54489293      7.79965151    -11.05783918
  H     11.02442890      6.47448091    -12.30936063
  O     11.51481324      5.31667917    -10.85508748
  H     13.04257912      4.72145227    -11.60242042
  H     11.33064350      6.98335401    -13.76626416
  O     14.78015589      5.48357283    -14.43760077
  H     13.98405662      3.50208244    -11.68227526
  H     14.64623285      7.49393834     -9.00582314
  O     12.28392246      6.80030400    -15.21366240
  H     18.03984213     11.53478090    -11.36211935
  H     14.69722417      8.97997157     -8.64427368
  O     10.95253326      7.22663083    -12.90501535
  H     18.02039042     10.06661797    -11.83726171
  H     14.69528538      8.29227523    -13.30056313
  O     14.26406724      8.15167365     -8.40820435
  H     13.25205276      9.17242394    -11.64959474
  H     15.42150479      7.25554851    -14.17459281
  O     15.48119169      8.16301424    -13.85778926
  H     12.54912209      8.00123828    -12.39259448
  H     13.95399786     10.72705366    -10.40479935
  O     13.09435715     10.81314957    -10.83966638
  H     10.38201923     10.66318468     -9.14231896
  H     13.21901122     11.30556087    -11.66315005
          69
 Energy    -248.73537491430133     
  O      0.58828237      0.28404889      3.28712123
  H      1.16983850     -0.14450118      2.64292286
  H     -3.09239834      1.80047536      6.29970847
  O     -1.86350182     -0.95097611     -3.56604756
  H     -0.29269811      0.30772234      2.88376246
  H      0.86049002      3.28472376      1.86625725
  O     -0.96456630     -0.77107504      5.39784339
  H     -1.62725616     -0.82034312     -4.48081974
  H     -0.35367532      3.54112324      0.95300545
  O     -3.93358507     -0.38863089     -1.72423377
  H     -1.12568387     -0.60794958     -3.03400650
  H     -2.78047402      0.74625855     -0.88499813
  O     -1.79316070     -3.37936110     -1.98038130
  H     -0.29863004     -0.44492386      4.77745662
  H     -1.24119194      0.83786281     -0.92031982
  O      0.17939284     -2.43392702     -0.25922775
  H     -1.62383283     -0.07243202      5.47171754
  H     -2.72051989      0.31304403      2.48398552
  O      1.17097347      2.89750461      3.68071931
  H     -3.36872073     -0.55462627     -2.48838511
  H     -1.90991906      0.48985755      1.16932985
  O      0.06398226     -0.11330396     -1.77292385
  H     -3.84607022     -1.15771035     -1.13975124
  H     -2.96124806     -2.63910824      0.66789129
  O     -5.06237699      2.87006078      1.60413552
  H     -2.54125746     -3.26631585     -1.38125898
  H     -4.44410136     -2.24376914      0.62025156
  O     -4.37670352      0.66072069      3.23477899
  H     -1.88219047     -2.68580306     -2.64455206
  H      1.54297954     -1.42767038      0.67779916
  O     -2.30109883      3.41000974      1.12826089
  H     -0.33883430     -2.90539895     -0.92691876
  H      2.08556920      0.01380157      0.57390803
  O     -2.89517139      1.40491913      5.45485044
  H     -0.32834394     -2.53692916      0.55905866
  H     -1.86583457      3.27002835      2.95644634
  O      0.58874157      3.34030312      0.94091854
  H      1.03160668      1.93714003      3.59131738
  H     -0.66681728      3.20782056      3.92351753
  O     -2.02466997      1.19348687     -0.48266242
  H      1.92416290      3.01749822      4.25202698
  H      2.72364606      2.00305500     -0.92265578
  O     -1.87708978      0.11814079      2.06014304
  H      0.77978387      0.47675897     -1.50480692
  H      1.44937412      2.21175173     -0.07362621
  O     -3.70582851     -2.51305121      0.06076035
  H      0.12980173     -0.91297351     -1.22814060
  H     -1.37486631     -2.43172518      4.88963282
  O      2.00737843     -0.73989710      1.17103680
  H     -5.77685974      3.49607089      1.69027600
  H     -1.17035455     -3.94200540      5.08909264
  O     -1.63107813      3.19153183      3.88982850
  H     -5.34350801      2.21451442      0.93996155
  H     -1.58081161     -2.97501154      2.73907425
  O      1.94426212      1.55866681     -0.59930057
  H     -4.61469881      1.48802870      2.79463668
  H     -1.67725858     -1.63759119      1.96021724
  O     -1.57120175     -3.30299489      4.50565888
  H     -3.98199663      0.87904354      4.08990467
  H     -6.27311464     -1.81802313      2.35425774
  O     -1.59173382     -2.59643600      1.85010990
  H     -3.25354982      3.42113241      1.28115386
  H     -5.19158248     -0.71731198      2.39733801
  O     -5.64986555     -1.34171628      1.81064226
  H     -2.16822352      2.69351788      0.48871593
  H     -5.92975494      0.08055615      0.53446354
  O     -5.79907404      0.84429698     -0.04116242
  H     -2.42946869      2.08083271      4.92777599
  H     -5.26799273      0.51675802     -0.77889783
          69
 Energy    -248.73521210605753     
  O     17.80105383      9.35019130    -13.09026488
  H     18.32926695      8.69159231    -13.57599075
  H     15.89287627      7.15231157    -16.03241083
  O     16.28229565      1.67040651    -12.62457618
  H     18.27072982     10.17771807    -13.14879564
  H     17.95642068      1.46460471    -12.25180664
  O     20.86675368      5.61701451    -13.46851075
  H     16.25221749      2.01649789    -13.52608740
  H     19.15167394      0.70058114    -11.62920621
  O     14.44495595      4.29099353    -16.29990958
  H     15.77473732      2.28240302    -12.07738652
  H     13.56000036      7.66221456     -9.48805346
  O     13.30223499      4.49210405     -9.15309209
  H     20.38275324      5.12555699    -12.78929743
  H     12.93486914      6.28075441     -9.73591867
  O     16.38257768      7.88345755    -11.17175780
  H     20.88293973      5.05397455    -14.25137807
  H     19.09377929      3.28965058    -11.76857402
  O     19.26782513      2.07410601    -14.92173752
  H     13.77586572      4.24068710    -16.97591893
  H     18.50549069      4.56764576    -11.07055076
  O     17.09479288      5.32970584    -10.21754317
  H     14.99190967      5.07494793    -16.49871336
  H     15.56097536      5.21589881    -13.61888204
  O     18.93103386      6.16776568    -16.96046797
  H     12.70148542      3.79860552     -8.89258362
  H     14.35608168      4.75915462    -14.47351084
  O     17.36886619      5.20384983    -13.71885808
  H     13.83245548      4.14089717     -9.88799921
  H     19.78188437      6.88333908    -14.04036985
  O     20.60267459      4.15544248    -15.96988685
  H     16.94803701      8.42564141    -11.73428736
  H     19.05073671      7.16759907    -15.38363919
  O     16.03794885      6.42518806    -16.65708077
  H     15.55509328      7.75270180    -11.65908534
  H     14.07312106      6.64627522    -12.93219811
  O     18.92355207      1.47940608    -12.12888816
  H     18.33553161      2.22017264    -15.13785663
  H     13.47833782      7.46070297    -11.74486360
  O     12.92333267      7.19563108    -10.04309788
  H     19.28483126      1.80066009    -13.99762845
  H     15.75423755      4.25447540    -10.88077441
  O     19.11219921      4.25488378    -11.75721594
  H     16.72851310      5.35860340     -9.32174345
  H     14.71800558      4.17129719    -12.03675954
  O     14.60289529      5.06198879    -13.59249492
  H     16.93574389      6.20017889    -10.60765996
  H     15.87257309      3.19682925    -15.67812801
  O     19.07684588      7.40922690    -14.45069067
  H     19.24469834      6.39295027    -17.83372548
  H     16.96066062      3.72649627    -14.72689343
  O     14.00094444      7.53575362    -12.55647623
  H     19.47797680      5.42754330    -16.65220020
  H     14.80421757      5.21310228     -8.16100674
  O     14.98595196      3.76018788    -11.20178797
  H     17.94766075      4.82924059    -13.04102099
  H     15.48499725      6.58338044     -8.00103207
  O     16.64010651      2.92247100    -15.16426028
  H     17.79814835      6.00855512    -14.02629063
  H     15.38272163      9.21496720     -8.36328081
  O     15.63519459      5.63361795     -7.90644633
  H     21.40884369      3.82521577    -16.35866095
  H     15.69173292      8.26923546     -9.54603088
  O     15.20489281      8.34378614     -8.70825709
  H     20.13592307      3.38235982    -15.60420425
  H     16.30861148      8.84837477    -14.26288629
  O     15.60581153      8.39104542    -14.73633400
  H     16.98802696      6.33002279    -16.77419521
  H     14.92548561      8.21650042    -14.07287694
          69
 Energy    -248.73516392099918     
  O     13.29098832      8.30059645    -16.99447041
  H     13.02958698      8.17380698    -16.06396129
  H     16.79078569     10.14101620    -17.46794036
  O     17.13232277      6.64632193    -12.46124004
  H     12.48623437      8.33917675    -17.50403641
  H     16.27859229      7.69420168    -15.43403957
  O     17.72698145     11.11389786    -12.56745630
  H     17.47676392      5.81803417    -12.81428350
  H     16.23243830      8.93170190    -14.48401513
  O     15.28889827      4.71247899    -14.82594268
  H     16.92307750      7.19900201    -13.23053089
  H     12.86178326      8.50276474    -13.67978122
  O     14.41221275     10.77601539     -9.98325972
  H     17.48933210     11.61111702    -11.77570746
  H     12.80916847      7.00066696    -14.01076280
  O     14.69530197      6.87850196    -11.23145689
  H     18.11690835     10.28335867    -12.25768699
  H     17.08184637      9.08904009     -9.09901955
  O     15.44378457     10.42657152    -13.99144854
  H     15.34619192      5.31935214    -15.57732152
  H     18.33512045      9.26035186     -9.99546638
  O     18.91083516      6.58337165    -15.65791372
  H     16.19646358      4.50857658    -14.57609690
  H     14.00461465      5.09258209    -13.73010676
  O     15.36106242      8.25353867     -8.92286684
  H     14.69070860      9.99178734     -9.49386345
  H     12.66723894      4.64618093    -13.09182140
  O     18.06162673      4.50470340    -14.06062041
  H     15.19138162     11.34282122    -10.02855944
  H     18.50735070     10.86000845    -14.30982435
  O     20.46520353      8.38755120    -13.96290097
  H     15.58641491      6.76402866    -11.59489109
  H     18.08905344      9.61543750    -15.09548526
  O     17.70124578      9.87958350    -17.67710365
  H     14.12170204      6.30354911    -11.75316466
  H     18.28881284      7.93075948    -11.82850142
  O     16.75875349      8.15916093    -14.73548523
  H     14.76938874     10.12282301    -13.36904046
  H     19.57416056      8.58784473    -12.36272161
  O     12.69047547      7.87715622    -14.39513701
  H     16.17743271     10.78593999    -13.47392691
  H     17.34141151     11.26303854     -9.67457851
  O     17.85385930      9.64767569     -9.25162211
  H     18.75262377      6.68841432    -16.60418434
  H     17.28582265     12.79894184     -9.48079120
  O     13.28580331      5.37068114    -13.13386558
  H     18.27497319      7.18044036    -15.23766588
  H     18.18521873      7.13401879    -19.13132365
  O     18.74215983     10.32781676    -15.08108955
  H     15.08425227      7.70769799     -9.67616545
  H     17.86167005      8.22704332    -18.08355483
  O     18.88083324      8.68234006    -11.69435529
  H     15.05174570      7.80869890     -8.13702354
  H     13.77617554      9.96062733    -11.45604966
  O     16.97710351     12.09070940    -10.03937810
  H     18.45599043      5.13775415    -14.68390544
  H     14.00659007      8.49594553    -11.87983195
  O     17.90266203      7.26293441    -18.23044249
  H     18.68326271      3.78767194    -13.96499426
  H     15.18576266     10.63507861    -15.85091264
  O     13.65695589      9.34116155    -12.19109818
  H     20.24168407      7.64697218    -14.53587654
  H     14.45673390      9.82099755    -16.93387457
  O     15.15242947     10.47527758    -16.80343859
  H     20.08867044      9.16135776    -14.40515212
  H     14.78115227      7.22705921    -17.01080103
  O     15.55361198      6.69658881    -16.77250918
  H     18.24593223     10.24895162    -16.97349670
  H     16.25496823      6.84627649    -17.41890131
          69
 Energy    -248.73424233949777     
  O     16.49147694      9.64263979    -11.53749130
  H     16.61058123     10.58725652    -11.38521630
  H     13.04578397      9.36602256     -9.67120675
  O     14.81561346      4.68714081     -6.89767932
  H     17.35013193      9.24370238    -11.73909098
  H     12.18143790      8.45308504     -5.88345110
  O     16.85240418     12.29890041    -10.80451447
  H     13.92688937      4.93303144     -7.21606459
  H     13.57604814      7.94685192     -6.32280428
  O     12.46801240      5.60887329     -7.85127162
  H     14.73073072      3.85199579     -6.44678835
  H     16.20650308      4.62241521    -12.48137196
  O     14.87719494      7.87599263    -12.88063988
  H     16.97684567     13.12965271    -11.25450653
  H     17.03694113      3.52451451    -13.18105626
  O     18.79069810      8.18071946    -11.96633917
  H     17.67362067     12.11407217    -10.31179776
  H     15.63006250      5.25271856     -8.44043430
  O     20.57497685      9.36084937    -10.10023293
  H     12.29860195      5.63436645     -8.80056089
  H     15.80061046      6.60642181     -9.20980216
  O     18.32807974      5.75367005    -10.59961245
  H     12.40025313      6.51409984     -7.52233523
  H     17.27860480      6.06204195    -13.81949183
  O     12.13371953      5.60493274    -10.68597038
  H     15.54795755      7.56737063    -13.50651161
  H     17.85513110      7.46103712    -13.55981982
  O     15.37203568     11.73093540     -8.39789887
  H     15.32245168      8.58718372    -12.39632058
  H     17.59247820     11.80291269     -6.14484477
  O     12.63563931      8.40792033    -11.14162042
  H     19.48492472      8.64231156    -11.48060652
  H     16.73635584     11.39367521     -7.36689713
  O     13.40879071      9.75179731     -8.85895284
  H     18.62937863      7.35700841    -11.48333623
  H     14.92130259      8.78175781     -9.03124059
  O     12.68937354      8.18956508     -6.64656169
  H     21.52861676      9.36455027    -10.09816999
  H     16.09259774      8.78836077    -10.03421792
  O     17.09320672      4.40156746    -12.80973491
  H     20.29505675      8.64604179     -9.49939879
  H     19.55976008     10.84986612     -9.56897556
  O     15.92997174      5.64583317     -9.26720805
  H     18.14386003      5.19480935    -11.36319256
  H     18.65251847     11.42448943     -8.44503750
  O     17.21587585      6.98222512    -14.10210681
  H     17.53423596      5.68800350    -10.04729449
  H     15.15302718      6.39425630     -6.09464694
  O     17.56313956     11.20402302     -6.88614182
  H     11.48091594      5.11833537    -11.18428024
  H     15.99727738      7.68821072     -6.15409159
  O     15.75447506      8.34391713     -9.24576347
  H     12.99438737      5.41236606    -11.09156719
  H     15.11159559      5.41532370    -10.81885814
  O     18.99367923     11.59440601     -9.33196333
  H     15.71674184     11.99104105     -9.26045723
  H     14.75051979      6.25119844    -12.09290128
  O     15.14649620      7.33248366     -5.86839584
  H     14.62551934     11.14029188     -8.56309164
  H     19.26974905      6.67103551     -9.16708710
  O     14.70855986      5.36512161    -11.70018379
  H     12.32656576      7.51234392    -10.96316361
  H     18.92188379      7.61768242     -7.98213740
  O     19.63256119      7.34237638     -8.57712357
  H     13.28461999      8.31789808    -11.85024391
  H     17.59395459      9.34614358     -6.89163674
  O     17.46417901      8.41252451     -7.10196897
  H     13.03251372      9.27846162     -8.10592300
  H     16.88353676      8.40261080     -7.87932368
          69
 Energy    -248.73388470433366     
  O     15.07318467      4.15568586     -9.25504770
  H     15.24063128      5.01473380     -8.84072765
  H     17.25571415      5.76294178    -14.26371095
  O     13.36734746      4.16596984    -11.57030884
  H     14.44611864      4.29741572     -9.97398701
  H     14.65794691      9.63526446    -10.47931469
  O     17.25721464      3.21224390    -10.67619573
  H     12.96079129      3.31139019    -11.37011759
  H     14.63491634     10.65260590    -11.62456792
  O     18.94344830      6.42150262    -13.87234028
  H     14.13521875      3.97722852    -12.12632854
  H     15.91937580      6.57205982    -12.82541857
  O     12.58622653      8.29947523    -13.75899008
  H     16.58088902      3.59176129    -10.09635230
  H     15.84547996      8.10199106    -12.73696872
  O     12.52672866      1.57378408    -10.91431935
  H     17.93431197      3.88618319    -10.83455365
  H     14.53987591      7.65802817    -10.95785999
  O     14.39796410      1.45326762     -8.96811548
  H     18.82191177      7.36113707    -13.64589127
  H     13.05681279      7.54197007    -10.59371215
  O     18.48471270      9.04265962    -13.30870197
  H     19.72870741      6.37162108    -14.41160852
  H     15.39404600      0.54382498    -11.93658302
  O     17.86417719     10.22181111    -10.75462321
  H     12.32841551      7.65722549    -13.08696990
  H     13.91586413      0.92446862    -12.13347766
  O     15.89257481      9.33879260    -14.24946225
  H     13.16156834      7.83697694    -14.38040447
  H     12.39652924      5.64777731    -11.66718422
  O     14.54204906      7.22845712    -15.58204291
  H     13.13215697      1.47794153    -10.15602577
  H     10.98036402      6.23277273    -11.46813448
  O     16.31487878      5.56492327    -14.36185393
  H     11.73924397      1.08061963    -10.70237674
  H     18.63944729      6.03368969    -10.71840790
  O     15.13957929     10.38839896    -10.84630442
  H     14.63837216      2.38489382     -8.86013479
  H     19.02928992      5.59582836    -12.13845055
  O     15.78271480      7.29749451    -12.20632023
  H     15.17418847      1.02296559     -9.34760638
  H     15.34512118      2.43135949    -13.03277328
  O     13.88637218      7.92465850    -10.29099367
  H     18.41408703      9.46067746    -12.44269064
  H     16.29427729      3.33541655    -12.20928426
  O     14.74224256      0.78037623    -12.61005473
  H     17.65780684      9.25670988    -13.76410308
  H     16.99065512      1.46436999    -10.54546211
  O     11.87891580      6.47033275    -11.68358945
  H     18.21359112     10.98844030    -10.30828114
  H     17.41372632      0.00071023    -10.28583434
  O     18.93580280      5.27182486    -11.23576526
  H     16.89648272     10.32942310    -10.77566634
  H     16.39485901      6.96571955     -8.79788960
  O     15.67334419      3.33807284    -12.95174717
  H     15.46752842      8.70177391    -14.83771786
  H     14.87776198      7.17824399     -8.86787358
  O     16.65953274      0.55171931    -10.47778336
  H     15.20645336      9.95884921    -13.97170667
  H     17.88237277      8.42225346    -10.16572862
  O     15.56307080      6.69323614     -8.38867928
  H     15.15280970      6.56918858    -15.20945002
  H     17.03781115      7.34309778    -10.85302172
  O     17.65860067      7.48545097    -10.12234497
  H     14.40609999      6.99113615    -16.49573505
  H     13.20113095      9.89413186    -13.39519098
  O     13.66990535     10.73790696    -13.26021205
  H     16.13065696      4.69913658    -13.96865070
  H     13.09184964     11.42805780    -13.57323468
          69
 Energy    -248.73347715815098     
  O     15.96352359     10.02359195    -16.76510580
  H     16.00700266      9.46004888    -17.54607963
  H     17.81538946      5.30015665    -12.19145394
  O     16.43675005      5.06002744    -13.23064422
  H     15.06065309     10.02335255    -16.41521799
  H     19.37103853     10.97970867    -16.31489383
  O     16.69430597     13.76139996    -11.35660467
  H     16.75816721      5.13202713    -14.14191048
  H     20.83400952     11.00160888    -16.82169745
  O     19.63201474      9.11070097    -14.06113326
  H     15.78669992      5.76244075    -13.12999410
  H     16.75568365      8.94529623    -15.51676534
  O     15.08648254      6.33881954    -17.21548508
  H     17.05721630     13.16940324    -10.68057264
  H     16.39606545      8.12484432    -14.24586932
  O     15.40778241     10.07070345    -10.09621696
  H     15.94050917     14.18943689    -10.95618200
  H     13.34082733      8.93804527    -15.39718927
  O     14.97565573      7.60954717    -13.14166913
  H     18.73982903      8.82710189    -14.32018353
  H     13.75979725     10.12874532    -14.50625992
  O     16.94482903     11.82070747    -13.31899836
  H     19.98515874      9.59171311    -14.81862176
  H     17.55802312      7.10918150    -11.15534919
  O     20.35480215      6.44596113    -13.73005283
  H     15.47430573      6.94603977    -17.85676463
  H     16.25599992      7.68733321    -11.75358161
  O     20.10184327      5.80145140    -16.35200808
  H     15.84338967      5.93284766    -16.77032314
  H     13.91973511      6.76613612    -16.01564408
  O     17.36871003      5.71181429    -15.76063988
  H     16.08065302     10.70970770     -9.83481660
  H     12.53484403      6.48898525    -15.38202994
  O     18.55667236      5.59248856    -11.63052583
  H     15.88298478      9.23736922    -10.20768691
  H     18.15431811     11.18591619    -10.39526928
  O     20.15854081     10.42583274    -16.47484030
  H     14.79763935      8.55001343    -12.97833560
  H     18.35804300     11.72759585     -8.96236950
  O     17.11278692      8.33856666    -14.85357364
  H     14.35416539      7.32986580    -13.82861709
  H     19.09401068      9.80600978    -12.48137457
  O     13.57291017      9.87445312    -15.41856826
  H     17.51849146     11.21378076    -12.83333478
  H     17.98681283      9.31212474    -11.51501872
  O     16.95447292      7.86165430    -11.10954400
  H     16.83351391     12.60274956    -12.76002897
  H     19.47853655      7.34134910    -17.32836969
  O     13.32529640      7.01287661    -15.28419611
  H     20.22648597      7.40458578    -13.76915567
  H     19.47598796      8.88725114    -17.36801013
  O     17.75897360     11.74549936     -9.70447681
  H     19.81212946      6.13373791    -12.99783131
  H     15.38915045     10.85068150    -13.09122624
  O     18.53660803     10.07666800    -11.73916664
  H     20.25271549      5.99510124    -15.40905423
  H     14.73527106     10.30747260    -11.80688461
  O     19.07999660      8.10241366    -17.76617218
  H     20.80052164      5.21442393    -16.62721342
  H     17.62462445     11.92899766    -15.04451606
  O     14.65822466     10.30314677    -12.77170122
  H     18.27407181      5.54895367    -16.04751890
  H     17.19594319     11.28440506    -16.36758917
  O     17.90996221     11.79331558    -15.95721668
  H     17.33711873      6.64911442    -15.51192102
  H     17.47140353      8.12682046    -18.45945280
  O     16.56012331      8.18452009    -18.79991340
  H     18.76335198      4.86647733    -11.04716851
  H     16.62734808      8.29300579    -19.74473137
          69
 Energy    -248.73321658218106     
  O     18.76406120      9.57220715     -9.12922175
  H     18.45740626     10.35843332     -9.59391229
  H     17.55392123     12.32283815    -11.11549669
  O     17.82478803      5.86684761     -9.62238823
  H     18.97439784      8.94078051     -9.83584035
  H     17.41017386      7.75617891    -13.59593693
  O     19.15168425      4.27884934    -12.58578579
  H     17.43356669      5.30807709    -10.30583929
  H     18.76992121      7.30729484    -14.22035428
  O     19.79489524      5.92923569    -14.85076996
  H     18.55119803      5.41114905     -9.18072922
  H     20.92213629      4.60423935     -9.95498751
  O     22.00628441      8.08334863    -10.63928495
  H     18.20284277      4.32850201    -12.42036748
  H     20.50915782      4.31092559    -11.42686433
  O     16.47707260      4.81047076    -11.79253512
  H     19.32153257      4.79203387    -13.38469706
  H     12.94595154      7.32395407    -12.06563279
  O     22.04602654      7.18218463    -14.03322294
  H     19.90552655      5.60041039    -15.73882421
  H     13.31529184      5.82976607    -12.02303113
  O     20.81516286      7.83131840     -8.09548039
  H     20.63503474      6.35460554    -14.59998587
  H     16.29200429     10.09672782    -11.04931773
  O     13.93682236      6.81949479     -8.99727762
  H     22.53606409      7.33935403    -10.95361255
  H     15.94017477      8.87557001    -10.15591973
  O     23.26023799      5.87885012    -11.82676216
  H     21.07779409      7.86828900    -10.83245361
  H     14.90684828      7.05109329    -12.98936774
  O     19.32805741      7.69523287    -11.12531622
  H     15.62484132      4.56354222    -11.41189437
  H     15.82571214      8.03918514    -12.23316056
  O     17.65361059     11.37666513    -11.05639490
  H     16.33202904      5.67024073    -12.21345197
  H     22.78133002     10.39190733    -12.79641690
  O     18.33059995      8.01869011    -13.73792318
  H     22.51902410      6.70060311    -13.34163550
  H     22.07348693      9.31097733    -11.94951576
  O     21.26860674      4.41611112    -10.83328955
  H     22.03119561      8.10467975    -13.75549751
  H     16.90029382      7.18878595     -8.93700911
  O     13.19256241      6.57546589    -12.62389507
  H     21.41540904      7.97922065     -8.83934665
  H     17.21078927      8.64599108     -8.56238522
  O     15.68062989      9.35667062    -10.95568750
  H     20.13476029      8.50917182     -8.18564742
  H     13.88931631      9.12959543    -10.90891784
  O     15.82972375      7.32057591    -12.88032115
  H     14.76004173      7.22472645     -8.69600055
  H     12.42009905      9.58681400    -10.76246201
  O     22.02364574      9.81189338    -12.78081887
  H     13.47457619      7.50316636     -9.49800932
  H     18.89995896      9.73055343    -13.43254880
  O     16.48298302      8.01737671     -8.65031133
  H     24.08102367      5.40021921    -11.75952767
  H     20.21685297     10.38654967    -12.97909059
  O     12.97532641      8.81306389    -10.81435365
  H     22.56038462      5.29084585    -11.48351949
  H     20.40678225      6.10743955     -8.16497434
  O     19.26806493     10.54135400    -13.05296253
  H     18.83778589      6.97596793    -10.70813883
  H     20.35164270      4.72822007     -7.46803667
  O     20.17353826      5.17109294     -8.29356983
  H     19.00014133      7.79993152    -12.02611826
  H     13.38949125      3.93672401    -10.22382867
  O     13.92630025      4.62221956    -10.61255295
  H     18.24800833     11.11377309    -11.78287591
  H     13.94873941      5.35628915     -9.97302235
          69
 Ord_Energy   -248.733047    
 O   -2.90396547     -0.518980384       8.16898155    
 H   -2.33979487      -1.26881731       8.39694977    
 H   -2.30354071      0.195358694       7.92063332    
 O   -5.99226475      -2.96451998       4.42645454    
 H   -5.47613382      -2.52535796       5.12432337    
 H   -6.90648079      -2.92536831       4.69496059    
 O   -1.12992227      -3.34157014       7.95525983E-02
 H   -1.61396456      -3.76751423      0.806931913    
 H   -1.10095882      -3.97568631     -0.633665621    
 O    1.50124431      0.539844394      0.837378919    
 H    1.80230641       1.05905712       9.57171917E-02
 H   0.547869861      0.714339793      0.933519125    
 O   0.623900115     -0.969084442       7.46228886    
 H    1.09531796     -0.993901968       6.62006617    
 H   0.173947170     -0.115030997       7.49127007    
 O    2.26625991      -3.32748985       3.43702579    
 H    1.99750960      -2.97476697       2.56804490    
 H    3.05194616      -3.84737444       3.29547691    
 O   -4.10066080      -5.15896654       4.31635857    
 H   -4.86539602      -4.57351112       4.36063290    
 H   -3.52058697      -4.88200617       5.03890610    
 O  -0.868813634     -0.874009788       3.62714458    
 H  -0.800220013     -0.388992637       2.79650283    
 H   -1.72368217     -0.623980701       3.99743605    
 O  -0.465530574      -3.54731131       4.03514004    
 H   0.483106107      -3.67549753       3.92584348    
 H  -0.628664076      -2.60551262       3.86633921    
 O   -4.21781206      -1.83403325       6.19189072    
 H   -3.92386484      -1.30049694       6.94488239    
 H   -3.57444167      -2.55360293       6.11068010    
 O   -3.52613020     -0.152449548       4.10424662    
 H   -3.77977705     -0.596613526       4.92307758    
 H   -3.77376246     -0.756028116       3.38874793    
 O   -1.13840365      0.785428226       1.32752037    
 H   -1.75979638      0.211095303      0.853405535    
 H   -1.65115941       1.41605043       1.84634292    
 O    1.36455059      -2.29121685       1.11629713    
 H    1.44643557      -1.34187126      0.961506307    
 H   0.532669187      -2.58107090      0.725055397    
 O   -1.11422396      -2.78062940       8.41642666    
 H  -0.774227321      -3.15412521       9.22487354    
 H  -0.425315291      -2.18257785       8.07114410    
 O  -0.915085077       1.41594851       7.46255302    
 H  -0.724220514       2.13940835       8.05474472    
 H  -0.774398923       1.75824809       6.56217146    
 O   -2.29793668      -3.85059357       6.11238384    
 H   -1.89493513      -3.59838414       6.95379686    
 H   -1.59987044      -3.79367828       5.44514847    
 O  -0.490519315       2.37273169       4.97389889    
 H   -1.20820522       2.44469905       4.33673620    
 H   0.310701221       2.17055106       4.46996450    
 O    1.65233576     -0.942677915       4.86051083    
 H   0.766541302     -0.822275579       4.48444796    
 H    2.00912952      -1.74089837       4.45367050    
 O   -2.80198979      -1.03045857      0.178643137    
 H   -2.23596978      -1.79304123       3.30201001E-03
 H   -3.47243857      -1.34175253      0.800319612    
 O   -2.70460439       2.27055502       3.13734078    
 H   -3.08897305       1.46819699       3.53111768    
 H   -3.40851712       2.91046643       3.06932569    
 O   -4.28106642      -2.14399219       2.31930900    
 H   -3.63626432      -2.86538863       2.31228423    
 H   -4.99964809      -2.42873621       2.89774990    
 O    1.77867484       1.54289579       3.56674004    
 H    1.80305934       1.26904392       2.64390492    
 H    1.95680761      0.740277290       4.07591820    
 O   -2.44279575      -4.30357075       2.29765058    
 H   -3.07018852      -4.77502632       2.86444736    
 H   -1.68285406      -4.10475588       2.86545706    
          69
 Energy    -248.73277616348545     
  O     16.14919088     11.80397659    -16.01800934
  H     15.32932879     11.40753780    -15.68525432
  H     19.83263233      6.02246902    -16.67915424
  O     13.57118499      6.12881353    -16.18055281
  H     16.25690074     11.46708276    -16.91275379
  H     18.95865385      8.31484857    -17.86363596
  O     18.35260794      7.23237835    -12.10202880
  H     13.80915034      5.39407486    -16.74391254
  H     18.08303632      8.74105895    -16.66185755
  O     19.22169231      6.59289909    -18.47450884
  H     13.90971193      6.91904256    -16.62608793
  H     17.08433775      7.08756378    -15.32701521
  O     16.57327628      5.98940500    -18.05719843
  H     19.17349045      7.25294811    -12.60638741
  H     17.01358950      8.47403635    -14.57741033
  O     14.38315445      8.51736874     -9.94844324
  H     17.87992961      8.04632918    -12.33950656
  H     13.99879168      9.62988033    -15.82421915
  O     14.09760167      6.45342477    -13.47825360
  H     19.57498825      6.15698954    -19.24550002
  H     13.93498869      9.97807673    -14.31928033
  O     16.98738442      9.39437213    -13.01391376
  H     18.28433620      6.33689358    -18.41307344
  H     14.68964996      4.93903014    -10.40112451
  O     17.18507206      5.24398614    -15.45548119
  H     16.67901179      5.60945179    -17.17033145
  H     15.36733390      3.70816353     -9.74920841
  O     13.33615230      5.97414160    -10.81069178
  H     15.99188226      6.74871530    -17.95244963
  H     21.48245513      7.66073450    -13.55658358
  O     19.98005178      9.96874368    -15.08277139
  H     14.23920840      8.99577124     -9.13635574
  H     20.37502835      8.47637738    -14.25908462
  O     19.85324961      5.64253918    -15.79316255
  H     15.24564654      8.07344222     -9.86294633
  H     17.20474309      5.89346139    -12.54834204
  O     18.61971101      9.08754796    -17.39423387
  H     13.85426555      6.27712049    -14.39655357
  H     16.25359144      4.81806839    -11.96091522
  O     16.99080885      8.04218952    -15.43915418
  H     14.94930017      6.02939041    -13.30872930
  H     16.41140436      6.15908399     -9.81188407
  O     13.94419536     10.36393361    -15.20529098
  H     17.29035166     10.27205823    -13.27618723
  H     17.39966891      7.15777981    -10.44274081
  O     15.54469815      4.49400874    -10.25812632
  H     16.02923257      9.41178277    -12.88313787
  H     16.61640581     10.73531833    -19.37173318
  O     20.57508792      7.61657345    -13.84918588
  H     18.15409576      5.23840123    -15.51535091
  H     17.29024416      9.97300468    -18.20520951
  O     16.53994425      5.22975337    -12.78479102
  H     16.94408957      5.03587610    -14.54430750
  H     14.20861375      9.03882948    -11.73713104
  O     16.70201421      7.07938200     -9.78037945
  H     13.39508417      6.08260739    -11.77031738
  H     14.16892955      8.17679518    -13.02063240
  O     16.45482974     10.36985101    -18.50574542
  H     13.51611088      6.84705074    -10.44051166
  H     17.35064368     11.83076184    -14.80672136
  O     14.26771664      9.08677906    -12.69934347
  H     19.65739407      9.78802456    -15.97492329
  H     18.11529394     12.64556834    -13.73446530
  O     17.99993745     11.76557468    -14.08180892
  H     19.38812512     10.63740597    -14.71744682
  H     15.25342146      9.05134395    -17.77809845
  O     14.93879535      8.34737511    -17.19901437
  H     20.15387052      6.33221157    -15.18796181
  H     15.60835648      8.26426189    -16.49834755
          69
 Energy    -248.73268390129329     
  O      3.25100870     -2.00513171      3.79628433
  H      3.94171098     -2.52264780      4.24332426
  H      8.75906019      0.62471308      2.20908108
  O      9.63007288     -3.24950801      5.28768147
  H      2.43810965     -2.17014096      4.26847447
  H      3.56089333     -2.69960909      2.05301965
  O      6.40580014     -3.65841094      7.49606539
  H     10.37264288     -2.73375601      4.95464041
  H      4.59927056     -2.39241837      0.95936106
  O      6.97290676     -1.76830459      3.40101822
  H      9.03469310     -2.61828919      5.71507187
  H      6.81277194     -1.44463241      0.33728465
  O      6.55227899      0.32426546      5.21995965
  H      7.09691246     -4.31576658      7.29209587
  H      5.88939690     -0.28845225      0.85506090
  O      8.47518382     -2.08367917     -0.23744587
  H      6.01691081     -3.91454710      8.32748768
  H      7.45332996     -2.12873716      7.15291488
  O      7.69230001     -7.07867571      4.66035744
  H      6.82067958     -0.98580371      3.94985767
  H      7.41426403     -0.84787611      6.27890924
  O      8.60990150      2.25380961      4.94156013
  H      6.54767034     -1.62418595      2.54459892
  H     10.76245541     -1.28327934      3.37974949
  O      9.41140690     -1.17124358      2.24508392
  H      7.14058264      1.08156234      5.11683677
  H     12.26107160     -1.46141628      3.72502542
  O      5.34366478     -3.43284243      4.88496297
  H      5.70260406      0.54223240      4.80856395
  H      5.58142897      2.24670611      0.83778243
  O      8.38539912     -5.31833917      6.74838693
  H      8.82222821     -2.17951641     -1.11909730
  H      6.66878013      1.52222759      1.66954672
  O      8.29653705      1.47019071      2.25434372
  H      8.23622995     -2.97962375      0.07410873
  H      5.26338635     -5.89893310      2.81439914
  O      3.91291983     -3.02492566      1.21674300
  H      7.70764774     -8.02185052      4.52586323
  H      5.30361507     -5.14736272      4.16160343
  O      5.99214774     -1.24776108      0.80641713
  H      6.82508644     -6.76223248      4.34791966
  H      9.49988477     -0.31338976      6.45447079
  O      8.00948624     -1.45943537      6.73772769
  H      9.21777811      1.61098542      5.35012274
  H     10.66226684     -0.22085771      5.43842382
  O     11.39542538     -1.36933523      4.11386108
  H      8.74610046      3.08475916      5.38806376
  H      8.58333392     -5.75370696      3.60858427
  O      5.75046344      1.45982283      1.34858530
  H      9.26715258     -1.46825571      1.33813394
  H      9.14221005     -4.33751006      3.83145318
  O      5.37611894     -6.02532269      3.76465259
  H      8.64657242     -1.48575512      2.75140276
  H      4.66563235      0.92200444      2.86786021
  O     10.11904365      0.30263987      6.04028657
  H      6.02686431     -2.97100028      4.37563052
  H      3.90087946     -0.19613899      3.63796530
  O      8.92423944     -4.97966793      3.14545011
  H      5.64806311     -3.49411609      5.79816932
  H      8.19335710     -4.63658255      1.57868740
  O      4.31171446      0.67256013      3.73006267
  H      8.16581727     -6.00450546      6.10465969
  H      6.86890556     -4.81716280      0.79238089
  O      7.75196538     -4.43803212      0.73792289
  H      8.98582670     -4.70918155      6.29756872
  H      4.62938157     -5.96563256      0.34621395
  O      5.08300310     -5.44909780      1.00692149
  H      8.46828969      1.82643684      3.13526438
  H      4.61254316     -4.59815110      1.06652979
          69
 Energy    -248.73256640129250     
  O     12.22203287     10.46829615    -14.55431065
  H     13.01468942     10.87767299    -14.19612634
  H     15.70219925      5.61028242    -14.60682079
  O     15.91715995      6.37918837    -12.95458054
  H     12.51863928      9.84169047    -15.23187072
  H     17.19639912     10.25722460    -16.54935026
  O     17.23172871     10.59494000    -11.71197114
  H     15.26064140      6.48276521    -12.25210657
  H     16.33952583     11.51923028    -16.41231325
  O     16.23557035     12.71238838    -14.83413128
  H     16.71987749      6.83823044    -12.67407946
  H     14.61187680      8.60851259    -15.02164620
  O     12.67340480      5.84205884    -15.55380794
  H     17.22467226     10.65976534    -10.74845097
  H     15.39507604      7.88229468    -13.87931755
  O     14.66747514      9.55869960     -8.62529122
  H     16.35114609     10.81752184    -12.03549996
  H     10.04627974      9.48981579    -12.44529573
  O     13.99164332      6.94691234    -11.06804273
  H     16.36433252     13.64049722    -15.01233047
  H     11.32293170      9.67420392    -13.30347898
  O     14.77666748     11.06816295    -13.11289596
  H     17.10736849     12.34544045    -14.60034082
  H     18.03094236      7.65820631    -10.51889410
  O     17.30498207      6.79271997    -17.06779016
  H     12.41863495      6.06030971    -14.63920316
  H     17.72820306      8.60672651     -9.33914824
  O     15.36065488      6.76986324     -8.64855100
  H     12.02314468      5.22592731    -15.88061423
  H     11.54343091      7.42515332    -12.90083106
  O     17.89449114      8.85384594    -15.25924526
  H     14.10941297      9.67842232     -9.40535568
  H     12.64803684      6.53009926    -12.31898606
  O     15.51171803      5.45317723    -15.54234031
  H     14.77073070      8.60616465     -8.50709832
  H     18.24300143     11.19659389    -13.16745720
  O     16.59172241     10.82926448    -17.03494269
  H     14.37750849      6.76338515    -10.20253054
  H     18.51415148     10.54495313    -14.53477176
  O     15.28098820      8.72575000    -14.33397812
  H     13.81730245      7.89796806    -11.09926937
  H     17.77444238      8.91922664    -12.15847808
  O     10.95087096      9.20295859    -12.53574981
  H     15.17922892     11.74745874    -13.67066818
  H     18.32938647      8.15086136    -13.36526721
  O     17.74537417      7.67655895     -9.59828317
  H     14.95646145     10.21141596    -13.53989088
  H     17.49118411     10.97306352     -8.21500567
  O     12.00648737      6.58995044    -13.03794080
  H     17.77129937      6.17608344    -17.62587831
  H     16.27339463     10.19162245     -8.77224066
  O     18.49618773     11.39606727    -14.07965203
  H     16.66709164      6.27143671    -16.54707658
  H     15.65733702      9.47228946    -17.84901535
  O     18.10122903      8.04910129    -12.43547619
  H     15.48589980      6.11323126     -7.96901556
  H     15.93928447      7.95970353    -17.85882236
  O     17.20160342     10.43285797     -8.94480176
  H     16.24538683      7.00775291     -8.97946227
  H     13.79465669     10.25487766    -11.73744492
  O     15.26052460      8.61374126    -18.05920684
  H     16.98032478      8.89667425    -14.93485327
  H     12.44044796      9.55728760    -11.46554532
  O     13.32966544      9.68712016    -11.10993424
  H     17.89519716      8.14255140    -15.91327903
  H     13.87524095      8.54024888    -16.97788978
  O     13.26428744      8.50467792    -16.22497913
  H     14.55247370      5.50426096    -15.62525004
  H     12.98372558      7.58867150    -16.10973819
          69
 Energy    -248.73251276908093     
  O     20.31930853      9.28066534    -13.17896740
  H     19.56602911      9.66529603    -13.65362426
  H     18.15216338      6.73163706    -14.60348962
  O     20.03657213      5.61880600    -12.24462779
  H     20.60449724      8.51055325    -13.67895068
  H     14.93798377     10.44340249    -12.22956676
  O     15.88875232      6.63909040     -9.75158755
  H     20.56927214      5.90958520    -12.99088305
  H     15.35425966      9.65491808    -13.49260137
  O     13.42236517     10.37448585    -11.15824994
  H     19.14903962      5.97431261    -12.41202909
  H     16.75768518      6.49748859    -13.15041186
  O     18.05885024     10.29044069    -14.40625314
  H     16.57101871      6.14078622     -9.28520140
  H     17.52468297      7.53925129    -12.28470948
  O     12.42475058      8.57642150    -13.16562473
  H     16.33440471      7.39900511    -10.15473947
  H     15.37642752      8.68452556    -15.52556182
  O     18.58505376      3.58315906    -10.92401166
  H     13.47691702      9.59645959    -10.57434362
  H     14.84136382      7.62626370    -14.54188705
  O     14.50085284      5.01632438    -11.55594899
  H     12.97569052     11.05716092    -10.66509633
  H     18.33153355      5.03293067     -7.76338055
  O     16.49887332      3.27379826    -12.69428402
  H     17.71800356      9.84357418    -15.18898545
  H     18.81220088      5.89278073     -8.95621419
  O     16.84882502      4.04737040    -15.24244662
  H     17.29428326     10.44856128    -13.83878152
  H     14.29000462      7.59340133     -9.56542814
  O     20.96559310      6.85497874    -14.66951750
  H     12.65845425      9.28204458    -12.54949933
  H     12.89644683      7.47082101    -10.20675823
  O     18.33594640      6.44794618    -15.51550440
  H     13.08851941      8.60792492    -13.86571655
  H     20.02398203      7.79230015     -9.89845798
  O     15.69151079     10.24066046    -12.79870455
  H     18.37547988      4.05779931    -10.11145485
  H     20.20594289      6.41837218    -10.57106251
  O     17.63615533      6.82308500    -12.92170883
  H     19.22892848      4.13448144    -11.38773421
  H     20.05210295      9.46525998    -11.50045986
  O     14.73906275      8.55235197    -14.81535935
  H     13.59656706      5.35392148    -11.51918720
  H     20.22330563     10.34368496    -10.23669148
  O     18.09513288      5.31109756     -8.64431473
  H     15.01328462      5.52811969    -10.91278883
  H     14.85664913      5.59980537    -13.20082656
  O     13.46536047      8.07468399     -9.71394096
  H     15.75548807      3.68310560    -12.23769016
  H     15.60050738      5.29318044    -14.54111234
  O     20.05072839      6.84592417     -9.71748258
  H     17.24052659      3.29414327    -12.07115291
  H     17.16232718      8.79140106    -17.48302190
  O     19.79629066      9.55699669    -10.56349404
  H     16.64043742      3.31196328    -15.81218562
  H     17.48344906      7.86253746    -16.29023458
  O     15.17127089      5.98912770    -14.02947499
  H     16.80266298      3.70836157    -14.32782925
  H     11.13371281      6.13850946    -11.58969881
  O     17.00193022      8.66397289    -16.55107748
  H     20.12204628      6.67546966    -15.11377472
  H     12.14991669      7.12823776    -12.20535831
  O     12.05101693      6.39778304    -11.56891360
  H     21.65103068      6.73537017    -15.32247711
  H     18.02153402      9.12834665    -10.78832674
  O     17.16082500      8.74708190    -11.00254234
  H     17.93893259      5.57054792    -15.58618276
  H     16.68243965      9.35635779    -11.58156841
          69
 Ord_Energy   -248.732391    
 O   -4.05487728      -1.65256226     -0.866029739    
 H   -3.42019963      -1.07403934     -0.416919649    
 H   -3.62316442      -1.87676275      -1.69713914    
 O   -4.83768606      0.385718912       3.14265704    
 H   -4.38931847     -0.471485078       3.17408490    
 H   -5.69933939      0.225106329       2.73913288    
 O   -2.34906435      -1.61012137      -3.13727427    
 H   -2.48744678      -1.88719046      -4.03924704    
 H   -2.51982498     -0.650347829      -3.11238694    
 O   -3.06606627       1.29253864       5.15308142    
 H   -2.38443947       1.72338581       4.62468100    
 H   -3.80218053       1.11852050       4.54980421    
 O   -2.12667584      -5.28850518E-02  0.308130801    
 H   -2.55637169      0.671665728      0.778890073    
 H   -1.42927587      0.340944409     -0.230888188    
 O   -7.10749960     -0.467216164       1.72166121    
 H   -6.62295055      -1.30328429       1.58883202    
 H   -8.01147366     -0.699765086       1.91460323    
 O   -2.76963902       1.06428254      -2.96337175    
 H   -3.32554984       1.45350671      -2.27659535    
 H   -2.06860542       1.70701683      -3.11512542    
 O   -2.89540458       4.59835148      -2.01458478    
 H   -3.47196031       3.90272331      -1.65489924    
 H   -3.34045982       5.42408943      -1.84620631    
 O    1.14943862      -2.62762356      0.440564960    
 H    1.69358742      -3.37898421      0.221639574    
 H   0.833877921      -2.25366378     -0.402260691    
 O  -0.975121915       1.90350235       3.20133424    
 H  -0.252483845       2.16905856       2.62070942    
 H  -0.755579889       1.00209045       3.47901344    
 O   -6.01601315      0.413808674     -0.789920688    
 H   -6.49618769      0.217378423       2.24432498E-02
 H   -5.42670393     -0.339012086     -0.932031035    
 O   -1.25689650      -2.15940237       1.79938793    
 H  -0.469533414      -2.51281786       1.36977768    
 H   -1.55663216      -1.41849852       1.24854326    
 O   -2.33312678      -1.24161816       5.81112623    
 H   -2.42172003      -1.43764043       6.73967600    
 H   -2.61380887     -0.316546500       5.68940163    
 O   -4.24649572       2.47832823     -0.941655993    
 H   -3.88802147       2.46262789      -4.36308607E-02
 H   -4.98301983       1.84902048     -0.947767615    
 O    1.86377943     -0.400256664       2.12908292    
 H    1.71913159      -1.15091276       1.54038548    
 H    1.29688144     -0.547669590       2.89836383    
 O   -5.50394630      -2.61966658       1.35836196    
 H   -4.99665499      -2.43703628      0.554944336    
 H   -4.86944056      -2.63504553       2.08571410    
 O   -3.53986359      -2.11866379       3.36417747    
 H   -3.20421314      -1.98492146       4.25849867    
 H   -2.76452541      -2.26409006       2.80242157    
 O   0.197389856      -1.45782650      -1.79908979    
 H   0.248648569     -0.508289456      -1.62139642    
 H  -0.640373468      -1.60299003      -2.25417328    
 O    1.24415874       2.12685323       1.39226949    
 H    1.99812520       2.70209384       1.49335384    
 H    1.53946674       1.23122668       1.64085436    
 O  -0.266668797     -0.720817804       3.94328403    
 H  -0.811923742     -0.952577293       4.70330858    
 H  -0.602181911      -1.24975657       3.20315003    
 O  -0.772327065       3.13598228      -2.86206579    
 H  -0.329624534       3.57125068      -3.58568549    
 H   -1.47958553       3.73486567      -2.56398678    
 O   -3.27052355       2.08554983       1.63616359    
 H   -3.90998292       1.56488514       2.14441681    
 H   -2.47211742       2.15639067       2.17712092    
 O    2.43178196E-02   1.21155882     -0.976363540    
 H   0.462574393       1.60554183     -0.211829796    
 H  -0.195527390       1.92080057      -1.59324574    
          69
 Energy    -248.73235448399714     
  O     17.81646041      8.27090417    -10.25902645
  H     16.89629573      8.50989889    -10.08979466
  H     18.29813500     10.92100991     -8.74869271
  O     15.15050745      8.87074726     -9.52731986
  H     17.86273177      7.31233274    -10.16654177
  H     18.71769237      8.91367595    -11.61020494
  O     20.03688586      3.25455937    -13.00025811
  H     15.14253003      9.77808817     -9.85801377
  H     19.49409753     10.09058614    -12.27366274
  O     21.19897816      7.27317700    -12.00085125
  H     15.50976597      8.85647862     -8.62690022
  H     20.79882733      4.79729890    -13.90277461
  O     16.53082427      8.67469363     -7.17302809
  H     20.18082554      2.33506283    -13.20556933
  H     21.16880875      6.25968996    -13.57467943
  O     18.66284368      6.17332732    -15.68063052
  H     19.14697741      3.48132599    -13.32636665
  H     17.02431442      4.56140203    -13.40055220
  O     22.35248820      8.01503472     -9.52719670
  H     21.71366030      7.57441267    -11.24215017
  H     17.88998289      4.73295334    -14.66234410
  O     17.85212958      6.11128554     -7.37296461
  H     20.54673707      7.96302559    -12.18893598
  H     14.59617750     11.89386752    -11.23116434
  O     20.60531985      6.30764872     -8.34374233
  H     17.25577120      9.29656557     -7.32571787
  H     15.23259071     10.62391976    -11.84138595
  O     17.60729664      5.48115397    -10.03230785
  H     16.94574760      7.80383579     -7.14054121
  H     15.82414708      8.91725730    -13.46132626
  O     17.73769481     12.11264401     -9.98042775
  H     19.52244878      6.04558629    -15.24019216
  H     14.56520265      8.63745116    -12.61860451
  O     18.65305819     10.13503849     -8.30306664
  H     18.83328374      6.19359001    -16.61834254
  H     21.63299997      9.75220126     -9.49058863
  O     19.21797981      9.17516780    -12.40076539
  H     21.73705792      7.45907767     -9.01671026
  H     20.39411111     10.46485734     -8.90788283
  O     20.94426077      5.66381296    -14.30173690
  H     23.22455893      7.84697058     -9.17899558
  H     13.03722751      7.07376574    -11.12737913
  O     17.65076910      4.10038237    -13.97311882
  H     17.65854833      5.37869064     -6.79192961
  H     14.32232020      7.78437478    -10.63974967
  O     15.26079540     11.22672121    -11.07752618
  H     17.65142194      5.80940856     -8.27500500
  H     17.73160673      7.37278515    -14.61439722
  O     15.07218002      9.34616618    -13.03204279
  H     19.75434174      6.34197635     -7.89490757
  H     18.01714886      8.38061184    -13.46610548
  O     21.16155664     10.59300934     -9.48268027
  H     20.50266620      5.68278003     -9.07481590
  H     20.59118666     12.43434681    -12.01413850
  O     13.93833218      7.26860714    -11.37068947
  H     17.04427760      5.51915555    -10.81702667
  H     20.52196987     11.37224962    -10.88918405
  O     17.31431030      7.88469777    -13.91103363
  H     18.48961826      5.20850986    -10.32366436
  H     15.30833381      6.21449292    -12.05008570
  O     20.04889284     11.73415168    -11.66202687
  H     18.43516885     12.09134129    -10.64686042
  H     16.58191243      6.57583190    -12.85338364
  O     16.15502068      5.86431603    -12.35304077
  H     16.92100045     11.85380628    -10.42439318
  H     20.19591217      4.26259952    -11.46496868
  O     20.19010138      4.96218241    -10.80023339
  H     18.49198057      9.40174291     -8.91403059
  H     20.51643961      5.76181307    -11.23882625
          69
 Energy    -248.73225006462226     
  O     12.27172474      6.65457182    -10.24566957
  H     11.43302470      6.51098990     -9.81754145
  H     15.85011821      8.10333660    -15.97131740
  O     17.03137563      5.25702140    -13.27406533
  H     12.66633194      7.44965726     -9.83902801
  H     20.16054952      8.70759627    -15.24078986
  O     13.00680067     10.89110951    -11.19004439
  H     16.22795695      4.72597157    -13.32576258
  H     19.34575320      8.41490880    -13.95793154
  O     15.47944136     11.93042046    -12.24780228
  H     17.30296247      5.47431655    -14.17919172
  H     15.38543470     10.41838475    -14.89492821
  O     11.67598033      8.27501253    -15.92215769
  H     13.81474217     11.32661526    -11.48500604
  H     14.82729391     11.52624813    -14.00819924
  O     16.64540867      6.34910699     -9.48746062
  H     12.54635819     10.62694510    -11.99622567
  H     14.88194790      7.64596362    -12.64244109
  O     13.46495070      6.05174562    -15.07437876
  H     16.02138430     11.21009929    -11.88414802
  H     16.23536797      6.88439292    -12.81300169
  O     12.23566697      9.90523803    -13.74448110
  H     15.86863972     12.74525519    -11.93923868
  H     13.71910381      5.46960325    -10.48366216
  O     13.70688965      9.85530912    -17.20617380
  H     12.28571026      8.76426167    -16.48949214
  H     14.44029444      4.64988231    -11.57405084
  O     17.72869664      6.11952814    -15.77137378
  H     12.08409538      7.41447453    -15.77710391
  H     19.43858318      5.11425845    -11.15378761
  O     16.67087886      9.22955123    -14.84773360
  H     15.92010346      5.83764815     -9.87535767
  H     18.21022759      5.52439799    -11.99929889
  O     15.33944510      7.55164449    -16.58367676
  H     17.42951961      6.15147283    -10.01008496
  H     14.09527436      4.68803938    -14.08690765
  O     19.31624063      8.39111585    -14.93192896
  H     14.14316375      6.50861317    -15.59025360
  H     14.19279375      3.19558560    -13.70395208
  O     14.62816909     11.01904425    -14.80450655
  H     13.31133453      6.57070472    -14.26781786
  H     16.69535512      9.59269900    -10.24665399
  O     15.83899735      7.75802452    -12.71775312
  H     11.84262680      9.39272543    -14.46614568
  H     16.47373203      9.03981627    -11.67098527
  O     14.53575501      4.99237502    -10.67957808
  H     13.03337327     10.31186909    -14.10900728
  H     18.53230135      9.02047292    -11.81280189
  O     18.80792742      5.81710343    -11.28926318
  H     13.59343833     10.47692652    -17.92170668
  H     19.13564053      7.59624645    -11.82703095
  O     14.49868856      4.06561400    -13.45952920
  H     13.98851312     10.37334586    -16.43575541
  H     16.47508814      8.93556153     -7.73782017
  O     16.86227976      9.78099319    -11.17953426
  H     18.32651617      6.85848792    -15.59920470
  H     16.35080978      7.92574526     -8.90544296
  O     19.20760911      8.47162756    -12.22902994
  H     16.97455308      6.47753671    -16.25445083
  H     13.24857728      9.62878599     -9.91968573
  O     16.18769773      8.85163994     -8.64254684
  H     17.62051612      9.09858303    -14.94844261
  H     14.32701540      8.92505250     -9.04847617
  O     13.40374076      8.88454447     -9.31927861
  H     16.39396451      8.71697163    -14.07110489
  H     12.76219879      8.34918258    -12.98808720
  O     13.11547579      7.47913878    -12.75911885
  H     14.78318364      8.18108807    -17.05483653
  H     12.72610162      7.19584921    -11.92323610
          69
 Energy    -248.73212680368925     
  O     16.85629622      3.92877931    -15.50604454
  H     16.43399295      4.77387787    -15.70904833
  H     17.79974635      5.88708115    -11.98158533
  O     18.87048579      8.48798947    -10.77362380
  H     16.17569275      3.39591946    -15.07718135
  H     17.22889233      9.23353307    -15.35531002
  O     13.09262988     11.73732339    -10.99942541
  H     19.70762844      8.52872964    -10.31593890
  H     16.97095024     10.74315394    -15.36666759
  O     17.32411471      7.89626402    -14.10292085
  H     18.90549516      7.69721160    -11.33534266
  H     14.60388314      8.95888266    -17.89242197
  O     19.05546170      3.89916141    -13.90386387
  H     12.70377900     10.88534938    -10.76496293
  H     15.48948763      9.23762230    -16.65506053
  O     12.20403139      9.05860967    -10.37070438
  H     13.88647261     11.82872551    -10.45557589
  H     15.65978690      8.35571664    -11.45167802
  O     16.30660134      7.59993186     -9.88601866
  H     17.90946314      7.32154886    -13.59765874
  H     14.48298440      8.21052010    -12.45476887
  O     12.77754688      7.58059958    -12.63943160
  H     16.63582367      8.19987083    -13.49010593
  H     15.66077845      2.55404485    -13.17638104
  O     17.55659894     11.04270031    -11.28785225
  H     19.77099674      3.45284962    -14.34863708
  H     14.50954989      1.75637515    -13.83513603
  O     14.53784519      9.26535603     -8.71302694
  H     18.31224038      3.92970004    -14.53321908
  H     16.27354169     11.51457732    -10.18038240
  O     15.55557339      6.41613243    -15.60291278
  H     11.32283603      8.85657492    -10.06410602
  H     15.90864330     12.46689263     -9.02030898
  O     18.64646016      6.18979628    -12.34507950
  H     12.35454259      8.50369922    -11.15310982
  H     15.49044145      5.40348218    -12.01394339
  O     16.91503862      9.95533395    -15.91892179
  H     17.18428050      7.99415949     -9.93612530
  H     16.12326795      6.02398300    -10.72305077
  O     14.71556755      8.73778997    -16.97177884
  H     15.73364593      8.15600030     -9.33596141
  H     13.90698305     11.43039805    -12.55837321
  O     15.35380422      8.61056114    -12.33010279
  H     12.69803499      8.10389355    -13.45462215
  H     14.84620638     10.25178784    -12.91278591
  O     14.93088476      2.61121337    -13.81882373
  H     13.09946405      6.70123585    -12.87677321
  H     16.92430743     12.96177442    -14.08392406
  O     15.56331221     11.76332510     -9.56395294
  H     17.48621211     11.30628737    -12.21291519
  H     15.97764837     11.78657508    -13.74324114
  O     16.19899931      5.30403319    -11.36502429
  H     18.03574371     10.20760698    -11.26024868
  H     14.62028126      5.72308085    -14.19625099
  O     14.46039307     11.06846043    -13.26513024
  H     14.86675891     10.15199751     -8.91116606
  H     14.28769684      4.36724883    -13.53027601
  O     16.90390560     12.01934348    -13.93633927
  H     13.71069635      9.16728142     -9.20141731
  H     17.83671810      3.00399962    -12.62807800
  O     14.22341123      5.32253258    -13.40853508
  H     16.24000850      6.88487482    -15.10156499
  H     16.77598504      3.57398579    -11.67130862
  O     17.05383122      2.76161158    -12.12007376
  H     15.16594796      7.07494250    -16.18842521
  H     13.44616385      9.04925299    -15.58965658
  O     12.93055220      9.23834144    -14.79711821
  H     18.97831489      5.45293319    -12.87288903
  H     13.35891248     10.00004564    -14.38398837
          69
 Energy    -248.73174646662656     
  O     12.32766196      9.45453911    -11.23476044
  H     12.57194994      8.90876379    -11.99319088
  H     11.31830042     11.86777238     -8.83441433
  O     13.04075165      7.87692495    -13.42091209
  H     11.83353398     10.21547493    -11.56345886
  H     11.55198621      8.50165908     -9.92057970
  O     10.78474280     11.63996525    -12.03106966
  H     12.55905680      7.05507701    -13.26190959
  H     11.36650081      8.31921786     -8.36860525
  O     14.44905584      9.81792092     -9.55111260
  H     12.61937931      8.35402666    -14.14760738
  H     12.07586751     10.10773609     -7.11071427
  O     15.62545108      7.32090465    -10.05409380
  H     11.23786337     12.39528331    -12.42275734
  H     10.99586157      9.52772587     -6.18351105
  O     12.21635370     13.87547621    -12.97226617
  H     10.62145555     11.85414525    -11.10222416
  H     12.78074825      5.83001670    -10.97550722
  O      7.97938148      8.69809301    -11.91066573
  H     13.74027300      9.73072204    -10.20827893
  H     12.52110527      6.63737873     -9.69136502
  O      9.64165589      6.54511938    -11.15323053
  H     14.94674458      8.99366399     -9.57785795
  H     15.27661671     11.31601705    -10.19577043
  O     12.02191416     14.37451308    -10.31415051
  H     16.25021652      6.75217135     -9.61280423
  H     15.71978670     11.97597098    -11.50504049
  O     15.64275096      8.52753840    -12.65974153
  H     14.78068926      6.83707936    -10.08752655
  H     11.99305221      9.64130945    -16.25695771
  O     14.34083597     13.79854667     -8.80796491
  H     12.21997316     14.11733933    -12.02893876
  H     12.45156362     10.37387941    -14.97497231
  O     10.53212642     12.14957708     -9.31999275
  H     11.85640994     14.62529860    -13.43971562
  H     10.25276558      9.71523648    -14.36975887
  O     11.16780173      7.93283478     -9.23361048
  H      7.07177645      8.72074044    -12.20183647
  H      9.89069592     10.58336241    -13.15925817
  O     11.59864927      9.29415967     -6.88601932
  H      8.51185920      9.09381344    -12.62389732
  H      9.61808237      9.17669552     -9.25550161
  O     13.19426512      6.12517233    -10.15618591
  H     10.07336727      6.92248682    -10.37546909
  H      8.55720779      9.56436996    -10.28808147
  O     15.55500564     12.16196585    -10.57468311
  H      9.00973116      7.21105266    -11.45187924
  H     13.08028426     12.46571205    -13.89957580
  O     11.93844758      9.61336576    -15.30549673
  H     12.82732724     14.28434758     -9.78889215
  H     14.28958785     11.50950986    -13.96576373
  O      9.53926357      9.90021645    -13.75092783
  H     11.38088325     13.76859625     -9.92093833
  H     15.88215225     10.20885909    -13.00214056
  O      8.98815538      9.86994349     -9.48047961
  H     14.78718443      8.23090104    -13.00064456
  H     16.76567628     11.26209027    -13.70722650
  O     13.41027189     11.66911954    -14.33116747
  H     15.74884166      8.10157836    -11.80187420
  H     10.90748838      5.88992805    -12.12202425
  O     15.95581932     11.15698406    -13.21446122
  H     14.98148788     14.36561085     -8.38793558
  H     11.51368783      4.70452581    -12.91172890
  O     11.71061937      5.57438194    -12.57558837
  H     14.82108670     13.28010945     -9.48014944
  H     13.37904960     12.32649732     -8.05505883
  O     12.94595896     11.47094626     -7.95519237
  H      9.89290382     11.42234555     -9.27260043
  H     13.50116442     10.84104137     -8.44142420
          69
 Energy    -248.73158750314803     
  O     -1.59031608     -7.35745618      0.22924198
  H     -0.78490818     -7.42571050      0.75444465
  H     -5.22348524      1.55812714      1.00759577
  O      0.61427117     -6.90685349      1.92873505
  H     -2.17738139     -6.76550858      0.72503874
  H     -1.40264857     -6.04696760     -2.66027001
  O     -2.12856492     -3.26822388     -1.72686989
  H     -0.00647438     -6.52900742      2.57867837
  H     -1.09559688     -6.30547335     -1.17839603
  O     -0.04552808     -2.46605738      1.65974709
  H      1.23608020     -7.43925804      2.41650149
  H     -0.37547678     -2.82751586      3.35431589
  O     -0.15977290     -0.02420163      0.29221261
  H     -2.35379472     -3.18352765     -0.78689526
  H     -0.02877656     -2.80176662      4.86101679
  O     -5.34206260     -5.74556812     -0.29740487
  H     -1.59127289     -4.06580766     -1.81778953
  H     -1.44369933      0.42448970      1.63158714
  O     -1.24560302     -5.79053036      3.54875376
  H      0.04561713     -1.63197205      1.18338042
  H     -2.94789835      0.73028483      1.75359518
  O     -1.87215989     -0.52113671     -1.74055077
  H      0.31545137     -3.18224817      1.11341742
  H     -4.06087439     -5.78820146      1.03783910
  O     -4.91365124     -1.75825132      2.07969160
  H      0.53257640      0.55354720     -0.01740580
  H     -3.00774240     -4.72742180      1.38676209
  O     -6.63321115     -3.47149180      0.81722351
  H     -0.75754383     -0.17436803     -0.46199484
  H     -6.23275278     -2.67653920     -0.87857351
  O      0.79621089     -4.62913637      0.20855537
  H     -5.88930210     -5.07368202      0.12764529
  H     -5.48504399     -3.06160315     -2.17132226
  O     -4.67615024      0.78775294      0.87260923
  H     -5.01590664     -5.33607126     -1.11198958
  H     -2.98563741     -7.30552909     -4.40720280
  O     -0.86533647     -5.73123004     -1.92422162
  H     -1.11209369     -4.89212654      3.87496174
  H     -3.28876108     -7.25535298     -2.89106794
  O     -0.69233014     -3.08665781      4.23707294
  H     -2.06552874     -5.78111773      3.03780361
  H     -1.81633738     -2.76081476      1.28145993
  O     -2.15392862      0.55206968      2.27124732
  H     -2.79311588     -0.24550709     -1.79119829
  H     -3.36696152     -2.51287318      1.33530832
  O     -3.27608355     -5.63810922      1.57952551
  H     -1.88137854     -1.47997529     -1.87764678
  H     -4.99197873      0.53185868     -2.59534442
  O     -5.88451140     -2.31681742     -1.70250916
  H     -4.92109345     -0.87444458      1.69194845
  H     -5.12485344     -0.77683777     -1.78251010
  O     -2.95795900     -6.73374016     -3.64494323
  H     -4.37162798     -1.71034830      2.88436521
  H     -4.04306780     -5.22857955     -3.16540424
  O     -2.67130674     -3.04327238      0.93131420
  H     -7.47554444     -3.44914600      1.26492805
  H     -3.62965141     -3.98467583     -2.36089501
  O     -4.69323403      0.09688976     -1.80085241
  H     -6.02982458     -2.91109412      1.33453708
  H     -4.48773571     -7.38911951     -0.94858853
  O     -4.40135106     -4.49482934     -2.65349700
  H      0.41669001     -4.93363871     -0.62259426
  H     -3.05773304     -7.95375561     -0.79965619
  O     -3.83335902     -7.95420179     -1.37758694
  H      0.83879011     -5.40649375      0.78090114
  H     -2.65413789     -0.70061733      3.50375369
  O     -3.04443590     -1.44155313      3.99386957
  H     -4.68057065      0.60333090     -0.07981367
  H     -2.32079302     -2.04533194      4.19012292
          69
 Energy    -248.73154385579238     
  O     15.10379880      4.24265678     -9.39440993
  H     14.41758007      4.55704876    -10.00439394
  H     14.66770139     10.06056593    -11.80137269
  O     13.35284929      5.27652483    -11.20807297
  H     15.23597905      4.95445480     -8.75954404
  H     15.77549216      6.77188788    -12.61866891
  O     17.29305610      3.61539554    -11.04277108
  H     13.26946741      4.73186862    -12.00323962
  H     14.73660839      6.41840297    -11.52623406
  O     18.76829629      7.33609688    -13.83400248
  H     12.62616493      5.91020556    -11.18419956
  H     13.84990499      8.87391297     -9.61009646
  O     12.73448428      8.44761402    -13.48316735
  H     16.59034131      3.90665505    -10.44658717
  H     13.99268083      7.69267959     -8.62512607
  O     13.16431745      1.08709966    -12.30757863
  H     17.93178983      4.33463575    -11.15146777
  H     16.32623181      0.62754238    -12.63316738
  O     14.55334417      1.51257375    -10.00176699
  H     19.48683007      7.52550036    -14.43189057
  H     14.88881768      0.72495184    -13.17012016
  O     17.44128938      9.62705881    -13.23206249
  H     18.32869685      8.18452355    -13.64592279
  H     12.14799535      7.74166800    -10.24604020
  O     17.45866590     10.22030688    -10.39540011
  H     12.30257487      8.16084249    -12.67290339
  H     10.69156394      7.54687591    -10.73233066
  O     13.42620222      3.65261445    -13.42297188
  H     12.92970845      7.64539783    -13.99200650
  H     18.94847494      6.26562432    -12.24066704
  O     16.27163337      6.13115756    -14.27206936
  H     13.58962937      1.24047664    -11.44494481
  H     18.59103197      6.38633979    -10.74657961
  O     14.87356941      9.59549274    -10.98096983
  H     12.48372219      0.43480774    -12.16569445
  H     16.14767767      2.50711691    -13.75795713
  O     15.48966119      6.98988659    -11.72281592
  H     14.68368322      2.40217010     -9.65014681
  H     16.59447281      3.56412034    -12.72427192
  O     13.34477360      8.25524279     -9.06371154
  H     15.43671990      1.17478543    -10.19769601
  H     17.34255305      1.84529583    -10.95243388
  O     15.81401211      0.73847005    -13.44468463
  H     17.56036744      9.90522455    -12.31662835
  H     17.98064628      0.48965465    -10.57200307
  O     11.60226562      7.43228482    -10.99077506
  H     16.52474303      9.82659570    -13.45896464
  H     14.46350783      6.22756723    -14.78620819
  O     18.93394623      5.77442959    -11.41052142
  H     17.59243621     11.05155238     -9.94767215
  H     13.28954330      5.28183824    -14.48839165
  O     16.21593670      3.46061532    -13.60861800
  H     16.49746824     10.10612153    -10.50287790
  H     15.80705045      6.75079299     -7.02354188
  O     17.18441811      0.88569843    -10.91588698
  H     13.17071015      2.77136480    -13.12315424
  H     16.23941864      6.95467873     -8.49357644
  O     13.49867972      6.16630643    -14.80990544
  H     14.38818807      3.62093222    -13.53184083
  H     17.56918400      8.40523337     -9.89842511
  O     15.50982188      6.65526838     -7.92547459
  H     16.33987161      5.17118749    -14.15660353
  H     16.76186176      7.22357117    -10.50265015
  O     17.37142691      7.46777113     -9.78490206
  H     17.16838986      6.48538231    -14.27798886
  H     13.95215725      9.63983854    -13.65349818
  O     14.64704266     10.32526050    -13.64463036
  H     15.04668522      8.67900969    -11.25350125
  H     14.35885405     11.00864978    -14.24309623
          69
 Energy    -248.73153990603333     
  O     -0.02447526      4.59585619      6.93995797
  H     -0.17920340      5.53187708      6.76200014
  H     -0.45063401      7.11276996      5.15021262
  O     -2.74473366      0.88433046      6.68354136
  H     -0.77013296      4.11539406      6.55409316
  H     -1.42225643      2.55164026      2.76612238
  O      1.92457318      3.57344360      5.25727470
  H     -3.55503817      0.92698691      7.18553649
  H     -0.54590525      3.83379521      2.88951657
  O      2.52666073     -0.41718499      8.27370410
  H     -2.58485714      1.77987121      6.33902998
  H     -2.43085581      4.95006839      2.73997705
  O     -1.06799796      0.84633844      2.70755503
  H      1.36204855      3.96064455      5.94171422
  H     -3.38773851      5.86975829      1.94658308
  O      2.78506916     -0.45568718      3.82889960
  H      2.69598177      3.16132453      5.66743670
  H      4.40029671      2.20741002      4.19758952
  O     -0.03244026      0.47795260      7.44063144
  H      1.59788949     -0.24571755      8.06987084
  H      3.84005384      1.01682958      3.41277559
  O      4.22631554     -0.75306161      6.19989395
  H      2.87275561      0.40023145      8.65343734
  H      1.50111680      4.22169079      3.66390292
  O     -0.24628252      6.84187083      3.44120879
  H     -1.50614405      0.12597221      3.18014001
  H      1.65349476      3.96741393      2.14502825
  O      2.73708466      2.75451753      1.23319361
  H     -0.32577005      0.50456481      2.18674151
  H     -1.92086332      3.33624091      4.74893477
  O      3.49973070      2.20507481      8.99965183
  H      3.31568307     -0.75914628      4.57578716
  H     -2.70558532      4.21123600      5.75218639
  O     -0.66452066      7.18389806      6.09813361
  H      2.04777827      0.03923437      4.21919596
  H      0.55104297      3.51214975      8.30736272
  O     -1.44725025      3.49475781      2.98399594
  H      0.28210029      0.65334246      6.53966016
  H      0.50391102      1.97600988      8.42801484
  O     -2.83518120      5.83513764      2.72297206
  H     -0.99305752      0.50805175      7.38031249
  H     -2.45789114     -0.32300604      5.26333185
  O      4.26430218      1.88043169      3.30377870
  H      4.97640682     -1.27395809      6.47380142
  H     -1.87779094     -1.69355253      4.89085105
  O      1.14597430      4.46705887      2.79554415
  H      3.60201305     -0.74273337      6.94731936
  H      1.11764342      1.98277411      4.92841600
  O     -2.21923292      3.37702424      5.66783887
  H      0.33444497      6.12942414      3.14280548
  H      0.09554552      1.08399072      4.15079847
  O      0.88352469      2.76980641      8.82812085
  H     -1.12098308      6.64144778      3.08539404
  H      1.87660348     -0.19796866      2.15828163
  O     -2.23772078     -0.89340811      4.51287102
  H      3.27962222      2.92428398      0.46701900
  H      1.73666161      1.06768491      1.29527501
  O      0.73434873      1.09710755      4.87399063
  H      3.34385670      2.50945819      1.95495410
  H      4.18954442      1.18107200      6.14292744
  O      1.31276274      0.22477935      1.49725398
  H      3.87845739      2.51148705      9.81872788
  H      4.01025678      2.27236322      7.20231971
  O      4.10411134      2.13709862      6.24950105
  H      2.56619066      2.48729214      8.99752683
  H     -3.23360009      6.00020912      4.60024381
  O     -3.21352899      5.92671607      5.56364647
  H     -0.45319834      8.07496467      6.36255710
  H     -2.45834651      6.45671790      5.84743166
          69
 Energy    -248.73147657248853     
  O     16.57209831     10.44602092    -15.12865325
  H     17.46434247     10.07016177    -15.13233344
  H     17.41749023      4.91030664    -15.23475816
  O     16.59036180     13.19355430    -14.64098058
  H     16.62799285     11.40886369    -15.09110779
  H     15.77274884      8.06859318    -12.24004960
  O     13.09980403      8.30001454    -10.98508722
  H     16.39834730     13.95468253    -15.18159139
  H     15.11349878      6.75184082    -12.74845759
  O     14.61781390      8.61304449    -15.83366080
  H     15.96865589     13.21616720    -13.88985988
  H     18.75290151      7.92425843    -16.27159253
  O     18.94159061      9.08998392    -14.81641175
  H     13.14964600      9.22106743    -11.28236394
  H     18.59592410      6.39462533    -16.28364178
  O     20.54525391     10.73022326    -13.22225856
  H     13.91630738      7.87747935    -11.27767977
  H     17.23014354     13.34049164     -9.65269030
  O     18.30183001      7.01031803    -13.03328013
  H     14.98047216      8.13037465    -16.58704630
  H     17.22694401     11.91172579    -10.24497051
  O     11.57334508      7.24016786    -13.04050734
  H     15.26950362      9.29131519    -15.60573067
  H     16.88123692      7.16016324    -17.50217894
  O     15.03714115     13.15087441    -12.43260503
  H     19.58962160      9.64897164    -14.37026663
  H     15.94011771      7.02842133    -18.72382659
  O     12.33299004      9.65674549    -14.47997015
  H     18.68728751      8.39951771    -14.18637285
  H     16.32277465     10.06194963    -13.37273202
  O     13.48750009     10.79399072    -12.23591747
  H     21.41161604     11.12300441    -13.28343715
  H     16.62989285     10.02641510    -11.81809585
  O     18.35339720      4.99050486    -14.97551200
  H     19.91524854     11.45665733    -13.06447476
  H     18.07867451     12.91311131    -13.50452812
  O     15.63446326      7.12882803    -12.02582614
  H     17.41893650      6.94598197    -12.64944140
  H     18.24449580     12.80305743    -11.97850268
  O     18.49770875      7.18147347    -16.83407116
  H     18.39884790      6.25579178    -13.62911390
  H     18.25587747      9.72992295    -10.43106032
  O     17.10281301     12.85235102    -10.46206594
  H     11.98728700      7.58831777    -12.23318444
  H     16.86295071      9.54037635     -9.73545545
  O     15.95012328      7.06101971    -17.77107583
  H     10.72305494      6.89162974    -12.78555422
  H     14.24163597      7.23372872    -14.72248827
  O     16.01976397      9.74894850    -12.51214704
  H     14.36429307     12.46776425    -12.31572827
  H     13.13221682      6.57214811    -13.86011244
  O     18.70483346     12.66285048    -12.81464258
  H     15.63644741     13.08466969    -11.67872892
  H     19.24315096      8.13440130    -11.80436790
  O     17.45001307     10.18869329    -10.14769497
  H     13.03479685      9.35745618    -15.07268499
  H     20.00328194      9.47641714    -11.88671370
  O     14.03911393      6.46291557    -14.16925587
  H     11.93176488      8.85707863    -14.12054544
  H     15.81730218      7.58926184    -10.12264416
  O     19.55404494      8.87985063    -11.27525045
  H     13.01742294     10.53305650    -13.04265624
  H     14.72484252      8.36324313     -9.39083413
  O     15.66952873      8.18672877     -9.37711930
  H     14.39308213     10.45939327    -12.33067979
  H     15.10398974      5.32584366    -15.19144322
  O     15.77293736      4.98387708    -15.79927384
  H     18.72747438      4.11451454    -15.01494969
  H     15.75035941      5.57144395    -16.56498965
          69
 Energy    -248.73145177742538     
  O     11.85011483     10.14908536    -11.93595835
  H     12.51472620      9.71428653    -11.38499083
  H     18.36858668     10.04557019    -16.28521050
  O     16.63762702      7.73281718    -14.07949711
  H     12.04343489     11.09377212    -11.89047718
  H     12.68243240     12.44559704    -15.25448442
  O     17.82494972     11.45386071    -12.07944195
  H     17.46320018      8.11002544    -13.74912390
  H     13.94084230     13.26761683    -14.90183721
  O     15.63125269     13.24861129    -15.51207180
  H     16.01783912      8.47331429    -14.17506910
  H     13.98745829      9.50279542    -14.26086826
  O     15.99693238      8.91860099     -8.57583147
  H     18.02987585     12.06252127    -12.79926406
  H     14.99438630     10.43321188    -13.51971325
  O     14.93854192      6.75873943    -12.12082088
  H     16.85967236     11.45154438    -11.98975831
  H     20.02171384      7.06057267    -10.46434583
  O     15.10208255     11.29836378    -11.91167296
  H     16.50518005     13.19816296    -15.10934853
  H     18.48580598      7.20850071    -10.57477164
  O     17.33030155      9.25066107    -17.70175985
  H     15.56456008     12.48314575    -16.09739970
  H     11.83187248      5.98191955    -13.55235439
  O     16.89827810      6.65227877    -10.10015176
  H     15.97759160      9.07303008     -7.63540292
  H     12.46318682      7.30853813    -13.99704906
  O     15.12541524     10.76963683    -16.81075837
  H     16.77370249      9.39316179     -8.92302985
  H     18.50914942     12.07508357    -14.92970570
  O     16.55805348      6.85428909    -16.66994863
  H     15.58758631      7.01390506    -12.79196217
  H     18.96600271     13.52968111    -14.66732548
  O     18.85344980     10.50664001    -15.59226456
  H     14.13540568      6.51597912    -12.60146966
  H     18.48841563      9.89194507    -12.76120236
  O     13.02310885     13.09970649    -14.63676843
  H     14.37952729     11.93757555    -11.88859431
  H     19.15008201      8.53910633    -12.39737517
  O     14.90112171      9.81861076    -14.25818888
  H     14.79878018     10.50995714    -11.43753955
  H     18.15419372     10.65158783    -10.41139251
  O     19.33459054      7.63622050    -10.78864049
  H     17.06496891      8.36613850    -17.39557544
  H     18.73221147      9.28775585     -9.98170698
  O     12.67242534      6.41660039    -13.67694963
  H     17.77789403      9.12961964    -18.53542978
  H     11.90579313     11.14582022    -17.32172666
  O     18.28312078     12.89745336    -14.45808073
  H     16.20595550      6.52796215    -10.76284115
  H     13.32109979     10.89974509    -16.75385811
  O     18.84883907      9.07630555    -13.14063927
  H     16.55120708      7.30035798     -9.47498594
  H     14.67040401      9.00019813     -9.86299162
  O     18.21771891     10.04069217     -9.66565467
  H     15.84348437     10.30421102    -17.25333330
  H     14.38384870      8.23435856    -11.18174257
  O     12.38183216     10.97117117    -16.51344981
  H     15.12289210     10.45173805    -15.89241436
  H     12.46849448     13.66494781    -11.60157559
  O     14.14388883      9.02122206    -10.67231655
  H     15.88981513      6.17927110    -16.75742336
  H     12.81672692     12.99133231    -12.95253637
  O     12.77735887     12.85076382    -11.98782441
  H     16.60940724      7.05698421    -15.72102568
  H     11.97092345      9.48047873    -13.56166931
  O     12.22579400      9.05877962    -14.39957889
  H     18.96649969      9.88763677    -14.85902309
  H     12.09389863      9.68668749    -15.11883580
          69
 Ord_Energy   -248.730728    
 O   -2.40068603       3.85860848       2.99748468    
 H   -2.82976127       4.42889929       3.64617538    
 H   -1.64752448       4.36290646       2.66608858    
 O   -8.25574875       3.22924924       2.98479843    
 H   -7.56048727       2.56706309       3.09605837    
 H   -8.32761097       3.67898774       3.83514762    
 O   -5.52213812       3.46939969       5.37583971    
 H   -5.53368187       2.79739690       4.68203354    
 H   -4.90438700       4.15299749       5.09027386    
 O   -8.02038860       4.49251413       5.57384682    
 H   -8.46785355       4.24057436       6.37726593    
 H   -7.13723183       4.07947016       5.59978914    
 O   -5.33064556       8.24522209      -1.24935865    
 H   -5.71534872       7.36579657      -1.34564912    
 H   -5.91940451       8.74547100     -0.670544684    
 O   -6.87516832       4.62873983       1.09458065    
 H   -7.49682331       4.16140270       1.67167521    
 H   -6.01437759       4.20696115       1.22282100    
 O   -1.03230023       8.10583687       3.18940401    
 H  -0.780924320       7.23237753       2.86734629    
 H   -1.48827803       7.98101664       4.03098059    
 O   -3.99440145       5.71333981       4.44328690    
 H   -4.05199385       6.07949829       3.54574013    
 H   -3.47107983       6.34115076       4.95999289    
 O   -7.03686333       7.19555664       2.07315660    
 H   -7.01342249       7.13817644       3.03824902    
 H   -7.07822418       6.29248810       1.72917187    
 O   -6.64757299       6.81337404       4.78659868    
 H   -7.23967171       6.12421703       5.11347103    
 H   -5.76853704       6.41416645       4.74504280    
 O   -4.50403500       3.15530944       1.38604820    
 H   -4.28528690       3.32418609      0.459064752    
 H   -3.72469640       3.37770247       1.91666579    
 O   -2.62638307       7.84351015       5.57072878    
 H   -3.42449617       8.38171673       5.40998125    
 H   -2.29603553       8.09186554       6.42979479    
 O   -2.42730832       6.15154314       3.08488999E-02
 H   -3.11296129       6.29909611      0.700992525    
 H   -2.38142323       6.96556759     -0.486935258    
 O   -3.97666693       4.10529280      -1.13312948    
 H   -3.33823562       4.77438498     -0.849783421    
 H   -4.75899553       4.59541321      -1.41104794    
 O   -6.43398619       5.61159897      -1.44169509    
 H   -6.68370628       5.24999619     -0.575257599    
 H   -7.11665583       5.34489536      -2.05348730    
 O   -2.67354250       8.65949345      -1.16791999    
 H   -2.38907218       9.14248466      -1.93834305    
 H   -3.63953447       8.54375839      -1.24543929    
 O   -7.03411102       9.49774075      0.641301274    
 H   -7.13471603       8.68560982       1.16893387    
 H   -7.90348864       9.88169384      0.558388054    
 O  -0.468476027       5.60189342       1.87233293    
 H   0.373698473       5.38355780       1.48051178    
 H   -1.08277929       5.77802706       1.13909173    
 O   -4.94906569       9.11142349       5.07735968    
 H   -5.05801582       9.64670181       4.27685738    
 H   -5.68884945       8.49501038       5.09515285    
 O   -4.22430801       6.94457293       1.99168861    
 H   -5.17465687       7.08807564       1.91787779    
 H   -3.80174470       7.81394243       1.94115400    
 O   -5.86855745       1.65235138       3.20653081    
 H   -5.37070990       2.10046101       2.50122523    
 H   -5.64940500      0.725952387       3.14906359    
 O   -5.16570854       10.4305086       2.66110015    
 H   -4.30680704       10.2115355       2.27105284    
 H   -5.81503391       10.2544813       1.97274411    
 O   -2.85009646       9.35358334       1.58629215    
 H   -2.10047936       9.02105141       2.10424876    
 H   -2.65724707       9.23247051      0.649900794    
          69
 Energy    -248.72974807157581     
  O     18.17881468     10.19422887    -14.09807465
  H     17.58054521     10.94954278    -14.09886927
  H     15.66089087      6.51832601    -10.27726015
  O     14.63949198      6.39702952    -11.76913758
  H     18.33582952      9.95450147    -13.17426474
  H     14.44597242      7.51290957     -8.90776154
  O     12.06327874      9.74872172    -13.04595121
  H     14.72486813      6.01308526    -12.65062155
  H     13.91716321      8.93507754     -9.12349272
  O     12.39834685     11.80349857    -11.26660981
  H     13.71750954      6.65777751    -11.64116669
  H     15.33470316     12.23727826    -11.06996300
  O     18.61631943      6.40436384    -11.23330849
  H     12.88807061      9.88837818    -13.53485701
  H     14.07262629     12.67407734    -11.78534622
  O     12.39163969      7.10108543    -16.40765579
  H     11.43963453      9.35462303    -13.66901488
  H     15.28319268      8.07129069    -11.96470515
  O     14.94794731      5.51388841    -14.36483139
  H     12.17987639     11.10452870    -11.90524929
  H     16.51772966      9.02484777    -11.92479411
  O     14.50399502     10.08522890    -14.28794458
  H     11.57109541     12.14098461    -10.93272451
  H     17.99165075      8.84040622    -15.15551143
  O     17.08638098      9.45947844     -9.03566481
  H     19.38530894      5.85591254    -11.10209592
  H     18.54307416      8.07453175    -16.38131972
  O     12.37402745      4.60445310    -14.98566383
  H     18.27237353      6.19472790    -12.12037716
  H     10.56902742      6.81680640    -13.80307409
  O     14.59171262     10.52320882     -9.95921804
  H     13.31357675      7.38857853    -16.39019165
  H     11.21495793      6.42927436    -12.46366019
  O     16.27840683      6.76187443     -9.57094380
  H     12.38849424      6.19297922    -16.07998506
  H     16.79056833      5.63319813    -13.93093287
  O     13.63258294      8.02459097     -8.97372751
  H     14.96311691      6.32903508    -14.88738921
  H     17.82486877      6.66456418    -14.40872866
  O     15.03178811     12.78707449    -11.79876171
  H     14.12532121      5.06040716    -14.58609810
  H     12.15081901      8.32360591    -11.77554282
  O     15.56335816      8.99055844    -12.06654169
  H     14.92339965      9.67895617    -13.50977546
  H     12.52613315      7.69212949    -10.39065823
  O     17.86333107      8.05171786    -15.71290091
  H     14.99432357     10.89785109    -14.45375494
  H     11.18317249      7.98539973    -15.51724750
  O     10.84800727      6.05761241    -13.27701845
  H     16.80241919      8.53564263     -9.09395177
  H      9.76935269      8.61308229    -15.48484724
  O     17.66658256      5.98936715    -13.73785780
  H     16.27928311      9.98106115     -9.10961421
  H     14.81052035      8.67361454    -15.37514392
  O     12.14809395      7.50518625    -11.26271558
  H     11.97323670      3.75754098    -15.16081771
  H     16.01587268      7.91232338    -15.96409241
  O     10.51468613      8.38907901    -14.93414164
  H     11.81632254      5.04848942    -14.32152757
  H     15.84389544     12.54863454    -13.34318584
  O     15.05596340      7.87660443    -15.86655982
  H     14.90052145      9.97949166    -10.70310251
  H     16.38879337     13.13406190    -14.66573982
  O     16.22124253     12.31394938    -14.20863251
  H     13.79092143     10.97014241    -10.25911446
  H     18.02319078      9.43788726    -10.59113221
  O     18.29915574      9.18981452    -11.48646607
  H     17.14368330      6.55784846     -9.94662611
  H     18.55221258      8.25839754    -11.43773069
          69
 Energy    -248.72969217335884     
  O     16.94300800     10.25015731    -11.24983242
  H     16.47198520      9.67255612    -11.86426279
  H     13.20278725      8.98549705     -7.59601586
  O     15.92442270      5.54617451     -7.13399979
  H     17.88951363     10.08155998    -11.33421521
  H     14.62431028      8.70896510     -9.11998282
  O     15.01233029     11.89679545    -10.18015631
  H     15.88717849      4.83828905     -6.49653586
  H     13.40234994      9.09074246    -10.00938995
  O     14.27805151      5.85677544     -9.47603002
  H     15.77255548      6.37237443     -6.64052613
  H     16.94343558      6.04877588    -11.88307640
  O     15.16793296      8.70987968    -12.82249495
  H     14.25312638     11.52395903    -10.64164561
  H     17.90437001      6.25260770    -10.70822410
  O     19.69129122      9.81376630    -11.11714935
  H     15.76943335     11.42758076    -10.56445476
  H     17.31129942      7.46553815     -8.93998197
  O     19.82010574     12.09375970     -9.48210965
  H     13.93106052      6.75179655     -9.35858333
  H     17.34911644      6.09445292     -8.25715484
  O     20.29451921      7.82109994     -9.17841658
  H     14.81248816      5.67275158     -8.69496308
  H     19.37152795      8.76551291    -12.69601666
  O     15.05607784      6.00418902    -12.06738529
  H     15.12354803      7.77897811    -12.56903896
  H     18.64740936      7.40452792    -12.76463472
  O     14.22495045     11.83851593     -7.42847222
  H     15.67964014      8.76491408    -13.64453632
  H     15.59849459     12.39485432     -6.57166385
  O     13.20728560     10.12923808    -11.55817916
  H     19.81781866     10.64532420    -10.64102908
  H     16.32407404     13.21108560     -5.47012814
  O     13.12442350      9.29769341     -6.67765593
  H     19.92298210      9.10840884    -10.49881316
  H     17.18196278      9.04177301    -15.78575289
  O     13.66772121      8.57977465     -9.23654183
  H     18.92604079     12.43821745     -9.30975155
  H     17.68425086      8.57307087    -14.40702192
  O     17.87352096      6.19025490    -11.67022800
  H     20.39776098     12.85107703     -9.53102837
  H     16.66199151      9.39267595     -8.10608163
  O     17.84123863      6.65620667     -8.86528905
  H     20.97111435      7.16235921     -9.31442288
  H     16.63511833      9.47235351     -9.67999689
  O     18.96901575      8.14035412    -13.30840230
  H     19.46541688      7.34028153     -9.01753000
  H     16.51995896     12.84358307     -9.34624312
  O     16.47328235     12.61970079     -6.20210762
  H     14.65366065      5.29292890    -12.55918416
  H     17.12703732     12.97470698     -7.93721621
  O     16.88472789      8.80791052    -14.91171215
  H     14.78352940      5.89330253    -11.13962225
  H     14.66693663      8.36031223     -5.99195688
  O     16.35616375      8.95595094     -8.91251965
  H     14.42528937     11.78908311     -8.37244579
  H     16.19171152      8.56294065     -5.92885682
  O     17.34240489     13.02282322     -8.87742253
  H     13.82114539     11.00249216     -7.16929975
  H     19.92058000     10.78863389     -8.08259874
  O     15.49698640      7.89712790     -5.83059811
  H     13.87736301      9.65697612    -12.08355821
  H     20.12318060      9.26735197     -7.95539415
  O     19.86764571     10.05419362     -7.45866319
  H     12.45885942     10.26947569    -12.13220200
  H     17.05942621     10.85164205     -6.29944636
  O     17.30989960      9.94207036     -6.49934523
  H     12.22326867      9.13938622     -6.40757416
  H     18.24967217      9.95040115     -6.73658426
          69
 Energy    -248.72937262353656     
  O     13.93692434      8.66062195    -10.56888157
  H     13.81501411      9.45395873    -11.10426383
  H     16.95533594      2.78300984    -12.77107851
  O     13.92314075     11.51325908    -15.92691655
  H     14.56262823      8.86540092     -9.85567093
  H     20.11547683      7.65644412    -14.89308388
  O     16.78710913     10.98139250    -12.42086824
  H     13.67271985     12.13249697    -15.22967729
  H     18.91542095      8.58892084    -14.62626830
  O     16.12830862      6.04707256     -8.40509494
  H     13.54172562     10.66437916    -15.67141419
  H     14.55689093     13.38400357    -13.66607684
  O     16.30978187     13.37327074    -13.83793175
  H     15.84391352     10.76829335    -12.40013493
  H     13.16553711     14.01207928    -13.40246247
  O     15.68356461      7.46260807    -12.39028451
  H     17.18988778     10.66055108    -11.60591114
  H     12.89102131      8.13027271    -14.63733111
  O     13.97613777     10.62212737    -12.52445260
  H     16.74102909      5.70169457     -9.07774422
  H     14.19967344      8.87543763    -14.90721654
  O     18.35608183      7.54203374    -11.79641745
  H     16.29952075      5.56039773     -7.60294991
  H     16.69200777     12.33141600    -17.22700862
  O     18.15843449      9.78201921    -10.25426754
  H     16.50727372     13.05356117    -14.72676876
  H     15.63861121     11.75479596    -16.25582660
  O     17.56590697      5.26398360    -14.58671259
  H     16.58972276     12.66467850    -13.24186201
  H     13.25709150      5.74264370    -13.79598738
  O     15.29513015      5.93471114    -16.02992024
  H     15.12111246      7.92417649    -11.75451061
  H     11.98015233      5.66117732    -14.65353687
  O     16.75137522      3.69083914    -12.56278164
  H     15.29847574      6.58353959    -12.49637322
  H     13.59294524      6.86169275    -10.15415174
  O     19.27327423      7.70437864    -14.44645902
  H     13.66167099     10.04620473    -13.23629960
  H     14.48242109      5.87540152     -9.38479152
  O     13.60263722     13.19418315    -13.62207987
  H     13.73705624     11.52286619    -12.77337383
  H     15.03788344      4.44895489    -12.50357649
  O     13.25738316      9.01741703    -14.71711631
  H     18.80552559      7.54798291    -12.64937533
  H     14.02878980      5.23383148    -11.58951603
  O     16.58288701     11.97408206    -16.34954236
  H     17.40473307      7.48387006    -11.98565893
  H     18.15308945      5.94507933    -10.82037193
  O     12.78164009      6.16483635    -14.53138838
  H     18.32934483      8.96906853    -10.76038701
  H     17.45071116      4.59477430    -11.05953280
  O     13.73428534      5.91806441     -9.99257852
  H     18.99170374     10.05848920     -9.88082989
  H     15.85217412      8.07739065    -14.05845787
  O     14.27866987      5.04382868    -12.50893502
  H     16.79706854      5.41094694    -15.15894245
  H     16.61524633      9.04205186    -15.00774789
  O     17.78727659      5.17544669    -10.36595953
  H     18.10005423      6.06184972    -14.62588511
  H     16.05708293      7.93683907     -8.53354591
  O     15.88335577      8.41995644    -14.96605135
  H     15.54548547      6.85347059    -15.85198738
  H     16.72337655      9.20349758     -9.13045133
  O     15.91918008      8.87723115     -8.71053441
  H     14.39940926      5.86222886    -15.68394965
  H     17.68368375     10.44627811    -13.90080174
  O     18.03664480     10.17610043    -14.76292283
  H     17.09851213      4.23160991    -13.29649401
  H     17.68317175     10.80294532    -15.40792285
          69
 Energy    -248.72928481662066     
  O     -0.34047361      2.86253952     -1.82282057
  H      0.32621179      2.24191045     -1.49241823
  H      0.46665883      4.21068345      4.18491505
  O     -0.31768597      4.68139064      0.37583191
  H     -0.30251047      3.61156404     -1.21560475
  H     -1.96192071      1.19176384      2.17704541
  O      3.94170928      1.98424142      2.82397264
  H      0.54377712      4.75691437      0.81973876
  H     -2.60181091      0.56785391      3.43596544
  O      1.17418001      1.80815518      2.19770524
  H     -0.69048592      5.56011392      0.37576004
  H      0.71575342     -0.31586914      4.39676791
  O     -2.61108408      1.45130302     -1.41504327
  H      4.22029168      1.14109475      2.44263266
  H     -0.42835847     -0.32720127      3.31940810
  O     -2.19314075      2.67499687      1.08357773
  H      4.24489656      2.67813214      2.22492413
  H      3.76782433     -0.89604265      1.55323710
  O      1.37671824      1.13147833     -0.52240977
  H      2.10391844      1.97027792      2.40399414
  H      5.30676829     -1.02076620      1.63362191
  O     -1.90006122     -0.84480763      0.13177042
  H      0.94842587      0.96622625      2.61677032
  H      3.41978358      2.30314093      4.52702209
  O      2.08283640      5.03713771      1.62569353
  H     -1.80599775      1.93965484     -1.66704254
  H      2.41807208      1.83892462      5.61013278
  O      4.52471165      3.83644977      0.78590248
  H     -3.23793432      1.56650730     -2.12364791
  H     -2.97089339      3.44243044      2.59669685
  O      0.58645673     -1.57601735     -0.61134562
  H     -2.46362318      2.30041855      0.23720203
  H     -2.07702071      3.86142364      3.75171326
  O     -0.22735793      3.59540831      3.92039591
  H     -1.48872457      3.30985456      0.89686534
  H      1.33068862     -0.08142210      6.86732936
  O     -2.00845985      0.37753123      2.69988423
  H      1.24206579      1.38834099      0.40104076
  H      0.39286982      0.90795348      6.13024289
  O      0.49426404     -0.56456076      3.49023345
  H      1.13989254      0.19912269     -0.59984199
  H     -4.45623598      1.36091061      5.16574142
  O      4.60147902     -0.39444109      1.49686114
  H     -2.20191891     -0.11662372     -0.42631236
  H     -3.47462129      2.29022784      4.41097958
  O      2.97035203      2.58035376      5.33925990
  H     -2.02713040     -0.56249415      1.04614296
  H     -1.90393087      1.64258426      5.76115620
  O     -3.00728386      3.72841898      3.51995662
  H      2.91897175      4.68706985      1.29561593
  H     -0.71961157      2.52726159      5.33112880
  O      1.21390729      0.38817587      6.04570604
  H      2.16043183      5.08050656      2.58616531
  H      3.17998290      1.41877080     -0.70073589
  O     -3.56536389      1.41552662      4.83192735
  H      4.40233763      3.06386816      0.20459608
  H      4.39789165      0.81551785      0.01479071
  O     -1.00207693      1.88480215      5.99823106
  H      5.29911168      4.29593785      0.47313432
  H      1.71586422     -1.77803864      0.87205675
  O      4.13246084      1.53342453     -0.57315176
  H     -0.32687785     -1.38539338     -0.33128170
  H      1.65633320     -1.42276950      2.36968284
  O      2.25731588     -1.70786148      1.66755535
  H      0.52867843     -2.17616465     -1.34972607
  H      2.35933829      5.68982530      5.12452260
  O      2.11529775      5.00888980      4.50385856
  H      0.17381771      3.01234249      3.26150715
  H      2.44807618      4.16713836      4.86539232
          69
 Energy    -248.72928342364946     
  O      1.57776164     10.41297871      1.19405677
  H      0.77595876     10.82180201      0.84482059
  H      1.27201748      5.07245050      2.06317660
  O     -0.73486015      9.03195593     -1.72248693
  H      1.73336036      9.64309820      0.62874011
  H     -0.41241697      5.40052286     -3.80671107
  O      0.92878917      9.16267694      3.51321356
  H     -0.85298018      9.83551933     -1.20126065
  H     -1.60126478      4.38795024     -3.99369115
  O     -1.70741593      9.55817984      2.40859126
  H     -1.44420314      8.43011615     -1.44863529
  H     -2.53055222      1.78851955     -1.73768732
  O      1.46977919      8.06599283     -0.33440325
  H      1.34677540      9.53846822      4.28286694
  H     -3.29760568      2.65116153     -2.78610005
  O     -2.47846106      7.14605403     -0.76871408
  H      1.24076077      9.67323646      2.74358603
  H      0.36366231      1.99992275     -2.05319224
  O     -2.08683852      6.81100637      1.99255873
  H     -2.03626582      8.65311047      2.32887356
  H      0.47932059      3.15067825     -3.07593576
  O     -0.86289673      4.93703288     -0.98087156
  H     -0.89787788      9.48849508      2.92900285
  H     -4.41347196      2.92742251     -0.85212883
  O     -2.57193859      4.21506611      1.11562086
  H      0.69585504      8.38088004     -0.82371050
  H     -5.71720990      3.03855097     -0.02097612
  O     -0.56475954      2.31213125      1.40351405
  H      2.04383142      7.63067611     -0.97520178
  H     -3.81073101      4.69964437     -3.43560139
  O      0.25438399      7.07046926     -3.62606772
  H     -1.86871140      6.41324465     -0.95007107
  H     -3.98820094      4.10227171     -4.85196764
  O      1.57351859      4.15155899      1.98643737
  H     -2.50969237      7.20169208      0.19429205
  H      1.70497503      3.69076370     -1.34161739
  O     -0.68473646      4.47534952     -3.70435885
  H     -2.38375879      5.90011887      1.86317705
  H      1.95975486      4.19882728      0.13447102
  O     -3.40237767      2.11583393     -1.99081107
  H     -1.12019858      6.77055416      2.00377606
  H     -4.72116429      5.00215357     -1.41692833
  O      1.00004178      2.57197516     -2.50064929
  H     -0.92238407      4.70049333     -1.91661951
  H     -3.87388166      6.26907360     -1.66665984
  O     -4.91170706      3.49912098     -0.23834728
  H      0.07527507      4.88062550     -0.77129755
  H      0.85827026      7.49516304      2.65943767
  O     -3.41516754      4.09594083     -4.09013136
  H     -2.00065546      4.40944812      0.35541747
  H      1.00518111      7.16729264      1.15439356
  O      1.95038408      4.45482888     -0.79355999
  H     -3.43487511      3.97047110      0.75925840
  H      2.53136670      5.76374818     -1.77419510
  O     -4.44615068      5.62420741     -2.10188573
  H     -1.33873679      2.88853747      1.47702167
  H      3.60949434      6.39679510     -2.68823410
  O      0.75487215      6.78725849      2.01042181
  H      0.18772353      2.85874215      1.65526250
  H     -0.77406107      1.50674432     -0.14357680
  O      2.76096634      6.56023073     -2.28584509
  H     -0.10851620      7.82850494     -3.15373683
  H     -0.86202342      0.15674077     -0.88883975
  O     -0.92046219      1.10082322     -1.01581451
  H      1.14492871      6.94424482     -3.27521487
  H     -1.54928949     11.87793006      0.22981509
  O     -1.04546449     11.06826534      0.23123128
  H      2.19510521      4.00804857      2.69619248
  H     -1.36293596     10.54361644      0.98804538
          69
 Energy    -248.72925167606400     
  O     19.25691709      9.24502227    -12.90830800
  H     18.92765975      9.05398902    -13.79906222
  H     17.36500304     10.48905480    -17.56652939
  O     16.10671825     10.74848003    -11.78718633
  H     19.08244473     10.17970774    -12.75485590
  H     12.93672000      8.88448673    -17.27574084
  O     12.02905206     10.84364868    -14.89874611
  H     15.91706874     10.38445619    -12.66715191
  H     12.12977040      9.95509054    -16.48588115
  O     13.64007042      7.84613877    -14.15202486
  H     16.92046114     11.25596589    -11.88384657
  H     16.48795278      9.37237985    -14.64112582
  O     14.46986541      6.42795239    -11.91377561
  H     11.90672814     10.45848878    -14.02340211
  H     15.00834622      9.02163708    -14.27038630
  O     18.52183380      7.04004577    -11.56071164
  H     12.82546310     11.38635583    -14.85850982
  H     13.21040150     11.06108132    -17.87274781
  O     14.64043466     12.08888467    -15.29625889
  H     13.95530413      7.24837170    -13.46143545
  H     13.36955512     12.42006763    -18.59740187
  O     16.87899018      6.31564408    -16.11664924
  H     13.02529848      8.45029580    -13.71643296
  H     13.67791073      9.72250906     -9.55925201
  O     16.17373068      8.21226817    -10.58223255
  H     13.61185295      6.49916853    -11.47887192
  H     14.67970975      8.56023628     -9.47532416
  O     15.85222547      9.88305956    -18.02437819
  H     15.05366232      7.04963617    -11.45320143
  H     18.22296388      9.39268671    -16.05915143
  O     16.75362496      5.80275980    -13.45849313
  H     19.27937055      6.63485062    -11.14765234
  H     17.75394412      7.92537427    -15.74778125
  O     18.21969832     10.80568686    -17.21680347
  H     18.84149817      7.84165045    -12.01422632
  H     16.48601389     12.57237896    -15.12767230
  O     12.35313229      9.64393811    -17.37775507
  H     14.98833158     11.21980626    -15.04221326
  H     17.75678015     12.02600795    -15.81046155
  O     15.67438026      9.71997845    -14.25645925
  H     14.41217840     12.04620412    -16.23431318
  H     19.02670489     12.72222256    -12.33157483
  O     13.82182723     11.80542991    -18.02715079
  H     17.22821030      5.54846569    -16.56280515
  H     18.12740893     12.22229652    -13.48575343
  O     13.79486149      8.83497379     -9.19782189
  H     16.81266774      6.08365431    -15.17214973
  H     14.51570132     11.14089110    -11.13325076
  O     18.06887381      8.74881348    -15.35512733
  H     17.01426437      7.78082695    -10.78048204
  H     13.42662898     12.14038122    -10.67777444
  O     17.44864567     12.54112248    -15.05519559
  H     16.21957242      9.09601033    -10.97255206
  H     12.58744090     10.09158491    -11.88333252
  O     18.47049768     11.99683074    -12.60181132
  H     15.38443380      9.14435708    -17.61540737
  H     11.92194740      8.70031568    -11.85601833
  O     13.60856121     11.21079146    -10.79025790
  H     15.19395283     10.57695644    -18.15865021
  H     12.64088665      7.78350562     -9.99673115
  O     12.09934740      9.45830144    -12.42633350
  H     17.42112016      6.16460043    -12.86290849
  H     11.41362094      6.84016412    -10.06379310
  O     12.08425036      7.25632136    -10.59847687
  H     15.92736496      5.81293594    -12.95973499
  H     14.06303226      7.71121687    -15.90531354
  O     14.47167080      7.71532194    -16.78370144
  H     18.77105746     11.00481544    -17.96810830
  H     15.25022699      7.15245887    -16.69393602
          69
 Energy    -248.72921726772040     
  O     13.24639194     10.85102728    -16.42859537
  H     12.45674481     10.51464942    -15.97782686
  H     18.45265598      9.58797780    -12.29841105
  O     15.74380427      7.83305891    -12.94487012
  H     13.39051599     11.75903337    -16.13678436
  H     16.46217267     10.04282156    -17.08248681
  O     16.16305783     11.82679147    -11.14973883
  H     15.50269495      8.57089259    -13.52914538
  H     16.44998262     10.24532302    -15.56301760
  O     16.64936202     12.96070723    -15.31508378
  H     16.26793248      8.21250815    -12.22829858
  H     14.41114539     10.11222029    -15.16650794
  O     12.07280926     10.32055406     -9.42698341
  H     15.36483200     11.94997428    -11.68614917
  H     14.83642408     10.68749527    -13.80442887
  O     13.09409705      7.49911631    -12.38828375
  H     16.88314146     12.22785446    -11.65044611
  H     11.54320649      8.74313938    -14.99435944
  O     14.00948875     12.01200496    -12.80128174
  H     16.88745643     12.17238256    -15.81999784
  H     11.40014138      9.90557047    -13.99094957
  O     16.76849758      6.70194784    -15.24340424
  H     17.17334160     12.92693801    -14.50537067
  H     15.43929124      9.34189590     -8.61714182
  O     13.08768130      7.81113180     -9.57831874
  H     11.37283912     10.39560302     -8.78371275
  H     16.05868765      8.19238217     -7.78410646
  O     18.90490853      8.59857252    -15.47907646
  H     12.37319658      9.39272830     -9.41044601
  H     11.68332700      6.26774931    -15.34950925
  O     14.51564813      6.74469865    -16.73379035
  H     14.05459382      7.53884039    -12.51488918
  H     13.05388499      6.91147000    -15.64161341
  O     18.93717013     10.04398189    -12.99848930
  H     12.73172311      7.20387449    -13.23101095
  H     18.52441216     11.72622255    -13.00330430
  O     17.01105369     10.35183284    -16.34686058
  H     13.83834793     12.55638063    -13.57955295
  H     18.97020529     13.18448455    -12.74426298
  O     15.03788877      9.99061926    -14.44084523
  H     13.25066306     11.43144023    -12.64473800
  H     16.78013229     10.09456287    -11.03527688
  O     11.29529271      9.67315067    -14.92256132
  H     16.45716486      6.93216485    -14.35591287
  H     16.79603316      8.81699866    -10.16349852
  O     15.75358049      8.41949800     -8.65865366
  H     17.56213979      7.23151006    -15.37988575
  H     13.88448826     10.92539674     -9.04054489
  O     12.27554202      6.96089849    -15.06490807
  H     14.01494519      7.84524155     -9.31373194
  H     15.27543056     11.40697897     -9.53722800
  O     18.20716941     12.64547853    -12.93716559
  H     13.06658925      7.54392988    -10.50698993
  H     14.32770399      9.91490703    -17.60266585
  O     17.12832635      9.19164516    -10.98826827
  H     19.68235795      8.56949267    -16.03132452
  H     14.83741955      8.46512993    -17.61601923
  O     14.82055055     10.96233796     -8.80970144
  H     18.30583176      9.25758300    -15.87199699
  H     11.93949972     10.29216610    -11.28763381
  O     15.02517429      9.34554831    -17.96014695
  H     15.34052403      6.71514840    -16.21610420
  H     12.46143925      9.23490890    -12.28686936
  O     12.08109008     10.12346449    -12.22761027
  H     14.59489041      6.06776538    -17.40222365
  H     14.93904530     13.27037626    -15.31740752
  O     13.96849746     13.35396273    -15.27255922
  H     18.96158745      9.45771657    -13.76296699
  H     13.75354233     14.23886245    -15.55441408
          69
 Energy    -248.72891022132518     
  O      8.93310703      0.68146825      5.41015066
  H      9.05467258      0.55149157      6.35661393
  H      6.37941630     -5.63726097      2.93543504
  O      9.58350373     -3.35296614      6.33780469
  H      8.74835366     -0.18571987      5.02204728
  H     12.68639850      1.02137880      8.15917828
  O      9.49176563      1.16240176      1.31659652
  H     10.38881908     -2.80811764      6.34306905
  H     11.73215386      1.66264602      7.12733014
  O      7.91467565     -2.09205004      8.22318076
  H      9.01050732     -3.03761279      7.04676921
  H      7.72393112      1.37116993      1.93909499
  O      5.75797512     -2.41013341      4.17554767
  H      9.78414669      1.33230220      0.42464465
  H      6.82537508      1.84245815      3.11017129
  O      9.12630734     -5.28010590      4.42860516
  H      9.55473914      0.20059994      1.45369709
  H      5.48352064      0.67037880      6.81668530
  O     11.67619716     -1.65084931      6.17171115
  H      8.40693680     -1.25269663      8.26953316
  H      4.44665162      1.75284444      7.19233104
  O      8.69709510      4.24524928      6.25835527
  H      7.73798495     -2.35662467      9.12272265
  H     11.32394400     -1.28161419      2.82791230
  O      8.46583411     -1.76144521      4.35678205
  H      5.98804310     -3.29584248      3.86398961
  H     11.74938268     -0.00103141      3.55597553
  O      7.38648242     -2.90085730      0.95166072
  H      5.54314177     -1.88506574      3.39140187
  H      6.31155952      2.31617614      5.46427464
  O     11.32933915      3.03723279      6.12007164
  H      9.31276389     -4.68700532      5.17402708
  H      7.70850151      1.85264131      5.00832851
  O      6.79002343     -4.79032143      3.09134813
  H      9.97874779     -5.52899226      4.07800749
  H      5.66001070     -1.54266301      5.82948061
  O     11.88577816      0.86584337      7.66497138
  H     11.84169206     -1.45490052      5.23719306
  H      6.45208291     -1.45803805      7.15783397
  O      6.82532465      1.33566873      2.28910234
  H     11.80660622     -0.82706894      6.65091951
  H      4.68161430     -0.70270228      1.30958856
  O      5.35106386      1.63060864      6.91684767
  H      8.54518599      5.17146655      6.08534986
  H      5.93533051     -0.10763203      1.98896767
  O     11.93614438     -0.94721965      3.49273035
  H      8.10696509      3.75202371      5.66547314
  H      8.05706723      3.20156474      7.75416645
  O      7.02595619      2.52721824      4.84945030
  H      7.52443958     -1.96582028      4.30643539
  H      6.85185837      2.25662367      7.93630440
  O      5.76089787     -1.02865616      6.64061637
  H      8.86841516     -2.35220476      5.00636234
  H      9.27100983     -1.57476334      2.78087264
  O      5.44909858     -0.93571428      1.82522871
  H      7.22501464     -3.60552293      1.59039374
  H      8.97035350     -2.03650459      1.35730842
  O      7.69157627      2.52189048      8.33340711
  H      6.71789510     -2.22943784      1.13769838
  H      8.73019032      1.09261624      8.37935879
  O      9.60000984     -1.51293889      1.87061415
  H     10.48793163      3.49724454      6.21999986
  H     10.16813757      0.48150901      8.17278401
  O      9.22519006      0.27621517      8.20857436
  H     11.34014788      2.70845285      5.20960944
  H     10.45722536      1.68662443      2.86496835
  O     10.88125487      1.68980519      3.73082734
  H      7.62275119     -4.97040033      3.56032460
  H     10.22462702      1.33397584      4.35182893
          69
 Energy    -248.72853984892873     
  O     14.32955564     13.98224031    -12.65704114
  H     14.72810708     13.26731709    -13.17136913
  H     12.23995871     12.17638249    -13.88414400
  O     12.93419645     10.70047536    -17.52732570
  H     13.50408473     14.18783670    -13.11052705
  H     13.18748889     12.56041078    -16.97416215
  O     15.56323097      8.73120773    -12.30601906
  H     12.57147286     10.11498932    -16.84264497
  H     14.26653389     13.61513233    -16.61071479
  O     18.12551436     14.70801924    -14.64285251
  H     12.48852044     10.48073652    -18.34238213
  H     12.45285874     13.87149246    -15.16592440
  O     12.25562258      9.09676884    -15.35732768
  H     15.38979294      7.84456215    -11.95780139
  H     11.27297006     14.57717371    -14.45128343
  O     14.46751425      6.32820462    -11.52795204
  H     14.84677777      9.28682013    -11.96801625
  H     18.74489523     12.86150708    -14.76845406
  O     13.72745710      5.46938319    -14.18875414
  H     18.74036307     15.43192372    -14.72772133
  H     18.51246244     11.46233448    -14.16033450
  O     15.32751756     11.85551206    -14.32613454
  H     17.77103941     14.74431972    -13.73727027
  H     14.13654558     11.54359310    -10.55845230
  O     13.31074172     10.09946697    -11.37477143
  H     13.09509004      8.64151528    -15.19806729
  H     14.37485755     12.99682011    -11.02234574
  O     14.77990346      7.90686587    -14.85850469
  H     12.25228934      9.86752121    -14.76888151
  H     14.68491570     10.22015013    -17.02590901
  O     17.62530919     11.66091651    -17.37582315
  H     13.63263228      6.70434697    -11.22176565
  H     15.48901470     10.58866796    -15.76517007
  O     12.65052125     11.30879000    -13.78865457
  H     14.25314364      5.86010775    -12.34399425
  H     11.46289641      7.69758794    -14.27467895
  O     13.31500703     13.44155025    -16.60535868
  H     14.02454674      4.74441364    -14.73251151
  H     12.06382473      6.34225563    -13.85376520
  O     12.01689167     14.00059984    -14.30296203
  H     14.16656404      6.27039163    -14.52361295
  H     16.35443157     12.34838863    -10.32383830
  O     18.89793419     11.92031878    -14.91705242
  H     15.63885909     12.49967817    -14.97976351
  H     17.73056604     12.31932760     -9.61104132
  O     14.62429772     12.35088683    -10.34899837
  H     16.07644354     11.53910545    -13.80035373
  H     17.42982375     11.31137835    -11.96200790
  O     15.47268829      9.98399069    -16.51895542
  H     12.94520385     10.51770355    -12.16670535
  H     16.87768852      9.99065110    -12.57860844
  O     11.38419593      6.98971439    -13.62395900
  H     12.77963498      9.31570390    -11.18447112
  H     11.24321827      7.39135473    -10.46580442
  O     17.31787993     12.38961642    -10.46737580
  H     15.09133238      8.21579993    -13.99558927
  H     11.66278331      7.43758794    -11.95479737
  O     17.34302506     10.81326814    -12.78565665
  H     15.16643365      8.48543507    -15.52883775
  H     16.05439533     14.64394702    -12.27197868
  O     11.94056353      7.67346392    -11.05197574
  H     17.03389380     10.90672585    -17.27553784
  H     17.23604948     13.96950461    -11.54843061
  O     17.01600162     14.66482690    -12.17978002
  H     18.19223300     11.65991194    -16.58802566
  H     16.74367856     14.17452127    -15.78357264
  O     16.10320768     13.64740654    -16.27767595
  H     13.58294907     11.43080124    -14.02512396
  H     16.61879076     13.02209495    -16.81238129
          69
 Energy    -248.72843171884318     
  O     18.84344680      8.40696475    -11.18140832
  H     18.92207891      7.59526146    -10.66008331
  H     16.92742700      3.93134581    -10.65155718
  O     12.21377274      7.54064042    -12.12741727
  H     18.80516195      8.15912188    -12.11425805
  H     15.16786417      7.19707898    -11.71967731
  O     12.57003729      9.15928437    -14.45406206
  H     12.25982435      8.02493400    -12.96198245
  H     13.74647696      6.62531195    -11.93148072
  O     18.37413134      7.74420976    -13.83413272
  H     12.11988760      8.21663717    -11.44510097
  H     20.99302128      3.74662891    -10.99931962
  O     18.85702749      6.18917896     -9.56302614
  H     11.98214314      9.25931781    -15.19785847
  H     20.09045094      4.61475658    -11.91081426
  O     18.30856358      8.20713374     -7.69232114
  H     13.42394653      8.85806016    -14.81217091
  H     17.33220837     11.25844377     -9.53203083
  O     16.17164725      5.44388120     -9.71410658
  H     18.02061274      8.62804379    -13.99707264
  H     16.27284058     11.81881803    -10.51899350
  O     15.01380305      8.40650364    -15.31512176
  H     17.61799021      7.14571586    -13.93627378
  H     18.99168482      4.66039144    -13.79962879
  O     15.77009735     12.30557717    -12.31479203
  H     19.41246317      5.50588408     -9.95792187
  H     19.43276483      6.13558666    -13.69683896
  O     16.70468766     10.01926893    -13.73902855
  H     17.93780211      5.89423108     -9.64354003
  H     16.99161660      8.58315792    -11.18905407
  O     13.36027987     11.07343743    -12.50185304
  H     18.66987333      7.48840993     -8.23075743
  H     15.59511319      9.04436302    -10.65449525
  O     17.43398516      3.35669704    -11.23814232
  H     18.57393470      9.02837612     -8.12144416
  H     19.04546416      9.78393846    -10.10336682
  O     14.67497913      6.36925749    -11.84095438
  H     15.90987330      5.99848959     -8.97012080
  H     19.88086489     10.87664956     -9.39633563
  O     20.17116580      4.22866721    -11.01969038
  H     15.58967287      5.68424005    -10.45106608
  H     15.26069483     10.28648188     -9.12082306
  O     16.40773007     11.52403349     -9.60937436
  H     15.61096640      9.05442696    -14.91742700
  H     15.01102032      8.83682380     -8.53317708
  O     19.70794199      5.23331450    -13.49541947
  H     15.36174550      7.53913865    -15.07237297
  H     15.57481540      6.09859952    -13.37487505
  O     16.05572378      8.66485649    -11.41216632
  H     15.64543775     13.22552103    -12.53364265
  H     16.50371784      5.18787540    -14.21650376
  O     19.03251117     10.44032820     -9.38525981
  H     14.89256121     11.88563495    -12.38425841
  H     15.48055224      7.14802728     -6.72618114
  O     14.65967688      9.52367451     -9.11185068
  H     16.56032557     10.93221006    -13.47070781
  H     16.65406233      7.70811601     -7.56478948
  O     16.14747601      6.08190143    -14.15605143
  H     16.38516830      9.50466965    -12.98020577
  H     13.05940947      9.64257150     -9.79041944
  O     15.73506152      7.38812566     -7.61380209
  H     13.10377635     10.49458215    -13.23037496
  H     11.56971573     10.02606722     -9.63119065
  O     12.21493431      9.72685409    -10.26635320
  H     12.92355743     10.71108476    -11.72186794
  H     17.26734093      2.74108639    -14.36029092
  O     17.40807485      3.59010365    -13.95036277
  H     18.36498783      3.52531792    -11.04600495
  H     17.33546183      3.45518967    -12.98844912
          69
 Energy    -248.72834543651720     
  O     13.18988293     12.08115650    -17.35969572
  H     13.87855230     11.78236979    -17.96512386
  H     18.86411269     10.01974788    -13.16057079
  O     17.22285054      5.92070488    -14.55917722
  H     13.63691868     12.27287590    -16.52388590
  H     15.89546323     11.37278917    -15.96273453
  O     18.69057430     11.20654708    -14.70195223
  H     17.09050576      6.75212618    -15.03732472
  H     16.24414476     10.91184020    -17.40259451
  O     14.77619515      4.80767476    -14.79159154
  H     17.57470907      6.16809628    -13.69571899
  H     14.37331758      9.38993026    -13.35499936
  O     14.55640658      9.09825066     -9.83381381
  H     18.02820987     11.11511495    -15.40507371
  H     14.76508150      7.93882459    -12.94949417
  O     14.08771891      6.25991343    -12.48812262
  H     19.44965383     11.62670183    -15.10078669
  H     11.90346539     10.90562324    -17.36632418
  O     12.94362114     10.48068700    -13.54649869
  H     14.80737712      3.88395596    -15.02411088
  H     10.47870300     10.50723741    -17.82020045
  O     13.45813703      8.68143716    -18.56000034
  H     15.69892044      5.11808709    -14.72893430
  H     11.51920508      7.73401080    -13.51655455
  O     15.77845776      6.50177023    -10.39183433
  H     14.95485893      8.22418134     -9.89779450
  H     11.67063028      8.12739142    -12.02629841
  O     16.36481102      8.35312144    -15.58538146
  H     15.22337723      9.70284983    -10.19165562
  H     17.44328221     12.28586354    -13.61395826
  O     13.99036507      7.10648165    -16.27500730
  H     13.16212448      6.54843698    -12.50834135
  H     16.50679939     12.01332044    -12.43341674
  O     18.89550545      9.62038445    -12.28204933
  H     14.24815720      5.69183338    -13.25083549
  H     18.82766853      6.46893928    -11.50570109
  O     16.58835906     10.96190191    -16.50233552
  H     12.48569910      9.86142937    -14.13388822
  H     17.32192279      6.77474187    -11.40393189
  O     15.12284370      8.79638923    -13.20971069
  H     12.60618100     10.34224052    -12.65237025
  H     17.36821781     10.24686270    -11.48713562
  O     11.27457028     10.16344886    -17.42381291
  H     13.64088070      8.01090358    -17.88937447
  H     15.97691243      9.87039502    -12.01127973
  O     11.61780662      7.37217390    -12.62588287
  H     12.63345027      9.10378143    -18.28920547
  H     15.41256787     10.82151308    -19.85181625
  O     16.65446129     12.61960304    -13.17150085
  H     15.13526353      6.33806467    -11.10475893
  H     14.63509741      9.94815530    -18.83950733
  O     18.08726161      6.82250655    -11.99612262
  H     15.63259709      5.82800480     -9.73177385
  H     11.59632498     10.08311113    -10.32701684
  O     16.42731888     10.44009545    -11.36922470
  H     16.52080044      9.20783863    -16.00167779
  H     12.99209767      9.45495916    -10.53728850
  O     15.21097909     10.72904158    -18.92460685
  H     16.00463722      8.54271740    -14.70369631
  H     13.98490779     11.65468702    -14.44495015
  O     12.15015525      9.66270596    -10.97967471
  H     14.81828690      7.58296932    -16.11155272
  H     15.28303108     12.49339568    -14.31806110
  O     14.62025891     12.17942848    -14.95113568
  H     14.11423766      6.23096005    -15.89273121
  H     12.57458062      8.02270395    -15.54893741
  O     11.84707923      8.55856865    -15.20160529
  H     18.64258134      8.69519506    -12.37811433
  H     11.51202713      9.07988244    -15.94239254
          69
 Energy    -248.72804301642086     
  O      0.35185774     -3.13356270      7.16455325
  H      0.07606743     -3.21838018      8.07447725
  H     -4.60111521     -2.60028863      2.67216240
  O     -1.65025590     -4.13602887      3.43401500
  H     -0.16807946     -2.40714525      6.78388175
  H      3.09070014     -2.94867490      2.73377624
  O      2.23006527     -5.84975519      3.72716029
  H     -2.49794623     -3.67084085      3.42967177
  H      2.71938861     -4.07878815      3.73014370
  O     -4.73375847     -0.93094687     -0.41238378
  H     -0.96964536     -3.44553633      3.37751929
  H      0.94228564      0.69609150      3.66042424
  O      1.43553815      0.69032625      5.48370295
  H      2.65202671     -6.65603302      4.01045804
  H     -0.31855441      0.98872922      2.80789373
  O     -2.10929701      1.51438340      2.79864773
  H      1.44999366     -5.72442624      4.29754916
  H     -2.58059957     -0.53335483      5.25676717
  O      2.60636520     -1.69767966      6.03015608
  H     -5.24260971     -1.59672460      0.06722482
  H     -3.03984540      0.47722432      4.20559886
  O     -0.90391328     -2.10570939     -0.33804257
  H     -4.02437851     -0.68150148      0.19606312
  H     -0.63127243     -5.00695981      4.68966987
  O      0.19715736     -2.13675292      3.43173312
  H      1.92861174     -0.12749881      5.67835926
  H      0.17732979     -4.61485228      5.95105172
  O     -2.56757425     -0.72658193      1.37836981
  H      1.86194591      1.38999957      5.97090080
  H     -0.19853968     -0.29686739      5.84063936
  O     -3.69320885     -4.34854764     -0.29045488
  H     -2.49874263      2.28355074      2.39032165
  H     -0.55777533     -1.49632095      4.96001013
  O     -3.80116997     -2.46896069      3.19418239
  H     -2.30619920      0.75709969      2.21666448
  H     -3.27146465     -2.08278815     -3.07417602
  O      2.82545903     -3.12139368      3.64699803
  H      2.83120707     -2.18151416      5.22263486
  H     -3.71677759     -1.71173130     -1.63895578
  O      0.55074191      0.56774600      2.78649262
  H      1.98231568     -2.25704370      6.50709212
  H      2.61875827     -2.03746668      0.72269875
  O     -3.35818622     -0.24344010      4.76130822
  H     -1.51424038     -2.11985202     -1.08566157
  H      3.98084126     -2.65947133      0.33612475
  O      0.09280891     -5.28877473      5.26718578
  H     -0.91423721     -2.99443713      0.04766391
  H     -1.34637028     -4.58067862      1.69940536
  O     -0.81364510     -1.03793636      5.77589899
  H      0.28301371     -1.25795678      3.04212840
  H     -0.17375590     -4.92389605      0.74862425
  O     -3.07425693     -2.23144583     -2.15353032
  H      1.08826724     -2.49893289      3.52013107
  H      1.79472263     -5.49091322      1.88852858
  O      3.23232742     -2.76898256      0.91605974
  H     -1.93200718     -1.17854945      0.80799839
  H      2.14847835     -4.37952951      0.88440862
  O     -1.10260917     -4.65116565      0.76598640
  H     -2.91766884     -1.37999058      1.99928156
  H     -6.43987615     -3.67017499      1.15954943
  O      1.58465722     -5.15188394      1.00975568
  H     -3.50683680     -3.76644685     -1.03651344
  H     -4.96751781     -3.63912738      0.68695904
  O     -5.64943800     -3.13729366      1.17112970
  H     -2.82867316     -4.60884205      0.05480267
  H      1.19524975     -0.18914940      1.16196825
  O      1.45113912     -0.79748477      0.45828087
  H     -3.88964014     -1.70952214      3.78881090
  H      0.63914450     -1.19749451      0.11646826
          69
 Energy    -248.72796658146780     
  O     18.06173560      8.43721221    -15.95061233
  H     17.11607704      8.53013520    -15.77907884
  H     15.35237846      6.84527061    -16.27651078
  O     16.26339667      1.63860326    -12.31365348
  H     18.16986318      7.61043889    -16.43719575
  H     17.94890871      1.35092291    -12.07595877
  O     20.74189353      5.65638683    -13.44925961
  H     16.18623751      1.94308047    -13.22692083
  H     19.15801644      0.52785574    -11.56538178
  O     14.03280076      3.92796209    -15.79646297
  H     15.78785543      2.27670861    -11.76697236
  H     12.36535150      8.29393603     -9.98084207
  O     13.75536447      5.57952605     -9.13455748
  H     20.33672102      5.09437488    -12.77328920
  H     13.35181984      7.10771915     -9.87952664
  O     16.98377213      7.72674293    -11.39766748
  H     20.62323775      5.18745598    -14.28329527
  H     18.58856038      4.43088284    -11.00683356
  O     19.12773706      2.00374441    -14.83079960
  H     14.50774603      4.67234708    -16.21225568
  H     19.12360689      3.13292947    -11.71013116
  O     17.28210102      5.30591797    -10.04653921
  H     13.28947312      3.72139482    -16.35511680
  H     14.27647729      4.69292299    -14.09906918
  O     18.28967743      5.83561937    -17.16328844
  H     14.04811430      4.85832648     -9.70609430
  H     15.60596930      5.14088668    -13.43254652
  O     17.37547605      5.06343366    -13.68150463
  H     14.47466631      5.72226320     -8.50673718
  H     19.55801584      7.01176827    -13.45524674
  O     20.21957206      4.22727613    -15.92068587
  H     17.69199502      7.76369437    -12.05703749
  H     18.63993677      7.96217841    -14.31334329
  O     15.47086824      5.99531190    -16.71778294
  H     16.15144121      7.78745173    -11.88304636
  H     13.98222540      7.95463453    -11.95592526
  O     18.92291609      1.32212867    -12.03635347
  H     18.17899801      2.08461276    -15.00355481
  H     14.43650440      6.83982239    -12.94008081
  O     13.22547112      7.99451491    -10.26333780
  H     19.20182960      1.70522362    -13.91725098
  H     14.79215991      4.23472301    -11.74064898
  O     19.13215236      4.09776232    -11.73417722
  H     17.01774483      5.51408364     -9.14267924
  H     15.86359484      4.26705445    -10.62000779
  O     14.64163026      5.12613195    -13.31890239
  H     17.20492643      6.13230406    -10.54747212
  H     16.82576996      3.57897989    -14.60906848
  O     18.73993101      7.52935286    -13.45522894
  H     18.52216213      5.76172203    -18.08717497
  H     15.60300707      2.97573563    -15.33497092
  O     14.49884218      7.79028887    -12.75492556
  H     18.92466253      5.28453048    -16.68111900
  H     16.35626578      6.38997801     -6.74107560
  O     15.06720224      3.80373684    -10.91849490
  H     17.93724536      4.61665748    -13.03268980
  H     16.03367729      7.15559323     -8.04764123
  O     16.45176311      2.74756637    -14.94013386
  H     17.74841115      5.94918525    -13.76425627
  H     16.34264638      8.44623644     -9.80331904
  O     16.11864238      6.26734996     -7.65581161
  H     21.04670453      3.98115107    -16.32859316
  H     14.87593446      8.57415526     -9.37178778
  O     15.77788766      8.59069499     -9.03022467
  H     19.85399345      3.41469174    -15.52803273
  H     14.98261568      8.31757808    -14.41169884
  O     15.24232427      8.48376338    -15.33187831
  H     16.42022145      5.88139431    -16.84755973
  H     14.72368269      9.22958682    -15.62619618
          69
 Ord_Energy   -248.727753    
 O    3.52185011       3.27450490      0.998071909    
 H    3.22603679       3.90299845      0.315243483    
 H    4.45356226       3.43116999       1.13204813    
 O    1.96505201       7.61587191     -0.338109642    
 H    1.13007116       7.77116537     -0.793973744    
 H    1.75145674       7.57750273      0.604011953    
 O   -1.41829360       1.24781728      -2.75402761    
 H   -1.36377728      0.413173705      -3.23961020    
 H   -1.73820984       1.01941037      -1.86930990    
 O  -0.732134700       7.71453285      -1.48714054    
 H   -1.18860412       8.55247879      -1.51369989    
 H  -0.984726489       7.29256630     -0.646914780    
 O    2.26017714       1.00588644     -0.117469132    
 H    2.00958824       1.28311062      -1.01251447    
 H    2.79960704       1.70707130      0.267417580    
 O   -1.14733601      -2.08195758     -0.824046969    
 H  -0.184703246      -1.94850969     -0.760003805    
 H   -1.32470226      -2.96096015     -0.499400645    
 O   -1.17747819       6.54835129      0.926921308    
 H   -1.77079391       5.96189976       1.42346382    
 H  -0.458887964       6.81816912       1.51293719    
 O    2.41679955       4.95048332     -0.819108486    
 H    2.40774369       5.90969086     -0.693830729    
 H    1.50732529       4.64497328     -0.672197640    
 O  -0.586085498       5.90835619      -3.62293386    
 H  -0.748783886       6.39839506      -4.42611265    
 H  -0.610605359       6.55012321      -2.89566875    
 O   -2.54987001       4.60877657       2.17667913    
 H   -1.96549678       4.05855703       2.70819044    
 H   -2.93619561       4.03633785       1.49578667    
 O  -0.958715677      -1.32133687      -3.62324190    
 H   -7.59379996E-04  -1.32224143      -3.74292660    
 H   -1.11217809      -1.69298315      -2.74521923    
 O   -2.07762527       3.87623286      -2.32064271    
 H   -1.67906237       4.52147007      -2.91560054    
 H   -1.88617539       2.99084187      -2.66587210    
 O    1.89604199     -0.931646347      -3.59244704    
 H    2.57469940     -0.965856910      -4.26144218    
 H    1.78708982       4.45269980E-03  -3.35218501    
 O    1.52956450      -1.61239707     -0.845394969    
 H    1.75733066      -1.54501390      -1.78157234    
 H    1.86712801     -0.801605165     -0.442641169    
 O  -0.189530835       4.21625614     -0.313688576    
 H  -0.826759338       4.06337309      -1.02428234    
 H  -0.521714866       4.96035624      0.204087183    
 O  -0.530833304       2.95316482       3.47337294    
 H  -0.404206365       2.42969751       2.66294980    
 H  -0.712466836       2.33419061       4.17615891    
 O   -3.44786716       3.03002310       6.81356937E-02
 H   -3.22832417       2.09180021       1.91804003E-02
 H   -3.16988397       3.40575266     -0.776264787    
 O    1.34519243       1.60977399      -2.68523216    
 H    1.54089379       2.49301171      -3.02837467    
 H   0.382799208       1.51224518      -2.67624855    
 O    1.14254451       7.18475008       2.36424136    
 H    1.29779816       7.69111109       3.15685868    
 H    1.39198720       6.26444530       2.56528234    
 O    1.71590066       4.59651947       2.86113548    
 H    2.29937124       4.05876398       2.31489754    
 H   0.985674858       4.03145981       3.14278507    
 O   -2.18176460      0.468494624     -0.190565526    
 H   -1.93746197     -0.455614120     -0.327868849    
 H   -1.46835351      0.873825550      0.324708492    
 O    1.76297402       4.20668745      -3.43625283    
 H    2.16425037       4.52575064      -2.61587262    
 H   0.995853662       4.77119207      -3.58264565    
 O  -0.102690347       1.82035887       1.04497039    
 H  -0.179864347       2.67376161      0.590459466    
 H   0.721135974       1.42179751      0.736999750    
          69
 Energy    -248.72772431853940     
  O      1.70791729      0.69362393      4.22435749
  H      1.49136423      1.62325842      4.36907182
  H     -3.04500572      2.50795647      1.08343510
  O     -4.74424524      0.10201257     -1.72965869
  H      1.72706721      0.57631574      3.26786900
  H     -0.88842157     -0.33507072      6.51432359
  O      0.72562736     -1.14302296      5.96384601
  H     -4.26603029     -0.67893649     -2.03807210
  H     -1.70589026      0.93771533      6.21432024
  O     -7.08157667     -0.93617001     -0.76587254
  H     -4.22625138      0.46775506     -1.00348736
  H      0.34830591      3.18807819      2.57270297
  O     -3.56186041     -2.45710472     -2.25032206
  H      1.09914982     -0.49847186      5.33704658
  H     -0.84834768      3.05835860      1.59973926
  O     -2.26333325     -1.80224894      0.13469566
  H      1.42638046     -1.36884032      6.57036524
  H     -4.36506091      0.31868800      1.12849947
  O     -4.14673940      3.36208627      3.98665581
  H     -6.31623067     -0.50005796     -1.18137835
  H     -2.92791853      0.58910198      1.62927978
  O     -3.20441653     -3.65312322      4.30508368
  H     -7.86068305     -0.61364823     -1.21036554
  H     -1.30831530     -0.48263838      2.82560864
  O      0.73989906      3.35417277      4.45912388
  H     -4.29066777     -2.87700674     -1.75789362
  H     -2.57543132     -0.31735020      3.72885635
  O     -5.39124308      0.96894652      4.03863788
  H     -3.41183446     -2.98342602     -3.03046801
  H     -6.23454480     -2.66734905     -0.70232153
  O     -3.66965928     -0.96619821      5.05645311
  H     -2.63724798     -0.92312138      0.28854079
  H     -5.23106556     -3.38432855      0.22721676
  O     -2.66563390      3.28438938      1.51074299
  H     -2.55560251     -2.08089003     -0.74180277
  H      0.46102383     -0.93836416      1.62623148
  O     -1.74028486      0.08997577      6.67646684
  H     -4.75191950      4.03698550      4.28102706
  H     -0.77662446     -1.78421910      1.18256329
  O      0.09265591      2.85958827      1.70322882
  H     -4.63872638      2.52057142      4.00098298
  H     -2.54156433      2.75400701      4.68023907
  O     -3.49468327      0.63129588      0.84170672
  H     -2.24600375     -3.47251647      4.30222111
  H     -1.69412255      1.57204436      4.16632227
  O     -2.00010451      0.13280678      3.09409742
  H     -3.33127836     -4.46531231      4.78780291
  H      0.92941713      1.38528834      1.41071668
  O     -5.57682949     -3.37388480     -0.67531258
  H     -0.15574047      3.03835479      4.67488008
  H      2.16183584      0.73110475      0.74325366
  O     -0.14435716     -1.63999216      1.90049702
  H      0.90138359      4.12210144      5.00009230
  H     -0.33932539     -2.64589131      3.39818346
  O     -1.71841724      2.27437634      4.83493444
  H     -4.87630394      0.30630453      4.52037252
  H     -0.15621870     -2.43528311      4.91247687
  O      1.45441588      0.56521197      1.36031233
  H     -5.72219623      0.50949317      3.25722368
  H     -3.50939924     -2.59988825      1.30175256
  O     -0.60007473     -2.99338467      4.26295970
  H     -3.59598730     -1.91910552      4.93703768
  H     -3.95488656     -3.22325363      2.65331318
  O     -4.28016783     -2.89001854      1.80843397
  H     -3.04767374     -0.69250296      5.74912120
  H     -5.37769350     -1.40507958      1.86042543
  O     -5.84414361     -0.56607549      1.73196752
  H     -3.17764684      3.40474942      2.31985687
  H     -6.41952931     -0.67495176      0.96555449
          69
 Energy    -248.72700732492706     
  O     14.22978302     13.09001200    -14.45281906
  H     14.22618989     12.64139360    -15.31765838
  H     16.62255595     10.33580542    -18.85863206
  O     15.09156050      6.57624840    -13.44002094
  H     14.17220091     14.02532208    -14.62818090
  H     16.15814476      9.06213145    -15.13364236
  O     17.61485065      9.86992224    -11.61994939
  H     15.88457253      6.62871572    -12.88643515
  H     15.29688572      8.19290877    -14.17335544
  O     17.77319433      9.17072378    -16.06672313
  H     14.33345799      6.78440814    -12.87917297
  H     12.09025627     10.73406315    -14.37937235
  O     14.15042349      9.56113494     -9.00831799
  H     17.45936900      9.85088991    -10.66714535
  H     12.62158302     12.09352163    -13.90880616
  O     12.97955112      7.47766065    -11.84548759
  H     16.91984314     10.42274744    -12.00870547
  H     16.68765749      7.70667940     -9.07742679
  O     15.58249305     11.19674257    -12.87681684
  H     18.00747489      8.24829947    -16.24439666
  H     16.80966901      6.71117597    -10.23903165
  O     15.72834411      5.96636241    -16.12046738
  H     18.32973052      9.47073200    -15.33736766
  H     11.91868591      7.37701669    -13.33417209
  O     13.72295188      6.71998751     -9.24921877
  H     13.75118199      9.90801763     -9.81789329
  H     11.03767694      6.61306361    -14.33689593
  O     18.33456566      6.46434557    -16.39524568
  H     13.88717943      8.63411423     -8.96379993
  H     18.78357854      9.83273196    -12.98224357
  O     19.41674043      6.85676742    -13.78503197
  H     13.07981409      8.43835367    -11.77173606
  H     20.07624796     10.34461151    -13.65115648
  O     16.14176881     10.15338087    -18.05477880
  H     13.13643689      7.11778122    -10.96390261
  H     17.39223224      8.01711099    -11.85762703
  O     15.38709260      9.07693400    -14.55511158
  H     15.21294871     11.96388346    -13.33016022
  H     18.11789745      6.82877831    -12.53656788
  O     11.97931898     11.40550631    -13.69588316
  H     15.50591053     10.45206354    -13.49663340
  H     15.88556637      9.68900081     -8.93254127
  O     16.43187662      6.81917487     -9.35521521
  H     15.40772369      6.03158272    -15.21211013
  H     17.14781416     10.07083036     -8.12417447
  O     11.50545131      7.43479638    -14.20924419
  H     15.19320142      6.56715160    -16.65857774
  H     13.66464122      8.32009314    -17.06719439
  O     19.33345104      9.75943325    -13.77981574
  H     14.69537453      6.66786531     -9.27925125
  H     14.92237155      8.62058515    -17.88964831
  O     17.36913612      7.05742520    -11.96771574
  H     13.43253815      6.07923115     -8.60595455
  H     12.64315941     10.63014784    -12.18049005
  O     16.85921426      9.64667186     -8.92792527
  H     17.39808872      6.20557073    -16.30359948
  H     14.14527216     10.55654256    -11.89912664
  O     14.34653275      7.90156688    -17.60503585
  H     18.71202802      5.90121332    -17.06481724
  H     14.81229070     11.23181705    -17.23831248
  O     13.29181693     10.23180382    -11.58364184
  H     19.56127756      7.81022275    -13.81223990
  H     13.49373129     10.92124613    -16.50878327
  O     14.09350663     11.64182256    -16.74256734
  H     19.10459890      6.61291645    -14.66574201
  H     12.28836948      8.68307366    -15.20572579
  O     12.82878983      9.37348401    -15.61827748
  H     16.79626684      9.87261927    -17.39456571
  H     13.71949239      9.29939815    -15.24019608
          69
 Energy    -248.72679798617995     
  O     16.94718704      7.80412845    -15.37973064
  H     16.70442567      6.97324875    -15.78042491
  H     15.06691366     10.12829712    -14.06106982
  O     15.42725122     11.74892894    -14.87605981
  H     17.09129579      8.43434675    -16.10794618
  H     18.14227350     10.20241717    -17.15460249
  O     21.26184513     11.15297679    -11.24186525
  H     15.67319940     12.65030665    -14.62871894
  H     16.67273602     10.28739774    -17.56965649
  O     20.63286763     13.58168967    -12.59935122
  H     15.36001939     11.73750955    -15.83887031
  H     16.54046611     10.85488150    -10.35047800
  O     15.60384895      9.29871523    -10.95805902
  H     21.13852614     12.05183297    -11.57033111
  H     17.93392135     11.12227436     -9.75484322
  O     19.53053210     10.13995826     -9.42141751
  H     21.42221735     10.60510242    -12.01926130
  H     19.05464131     16.45282937    -14.26924272
  O     19.06683169      8.43895127    -13.62327995
  H     19.69054362     13.43234527    -12.42304780
  H     18.56763768     16.40636010    -15.72279202
  O     15.60372287     11.88622041    -17.70616751
  H     20.85851693     13.12148573    -13.42069244
  H     20.71104211     12.03492417    -15.58510358
  O     17.47040939     13.76110921    -17.00531730
  H     15.41642946      9.29308582    -11.91279620
  H     21.60589329     11.35137884    -14.53964445
  O     20.76971901     16.17168255    -13.43542395
  H     14.81611461      8.98018005    -10.52494507
  H     18.71776904      8.79515037    -10.45306634
  O     19.20968484     11.62698283    -16.47236407
  H     20.17485177     10.51886371    -10.04515328
  H     17.30352581      8.49976862    -10.98363168
  O     15.17659904      9.26650319    -13.63695508
  H     19.97374908     10.06892706     -8.58033964
  H     19.67274182     16.31956591    -18.10805429
  O     17.35995035      9.65943005    -17.31775527
  H     18.78474418      8.27458451    -12.70784984
  H     20.14151315     15.42964531    -16.93285514
  O     17.13530910     11.56251974    -10.07292065
  H     18.40877918      8.05996770    -14.21790736
  H     17.10154493     13.87710635    -13.55100772
  O     18.25703266     16.47743994    -14.81273849
  H     16.25159493     12.60172873    -17.58237504
  H     17.10779650     15.11726075    -14.46540669
  O     21.40852969     12.20867436    -14.93502664
  H     14.97609061     12.19171146    -18.35602012
  H     21.33991071     15.41178504    -15.08365695
  O     18.22726402      8.22916414    -11.06273846
  H     17.22019507     13.91652618    -16.08195369
  H     21.60862578     13.99619703    -15.63650067
  O     19.35562671     15.76138587    -17.40349391
  H     18.06785187     14.47466916    -17.26279721
  H     22.22128228      8.97646965    -13.78478149
  O     16.70458033     14.24323391    -14.35432611
  H     21.22435526     16.74271930    -12.82178220
  H     20.69576489      9.18721918    -13.69577255
  O     21.44797743     14.90954051    -15.90200174
  H     20.74181014     15.28871481    -13.02809916
  H     17.11701529     11.00688586    -14.32327884
  O     21.55162803      9.64625154    -13.66575301
  H     18.70808128     12.39680968    -16.76911072
  H     18.30123796     10.08485453    -13.84116880
  O     18.05246680     10.98469509    -14.08393048
  H     18.84200955     11.39592474    -15.60276654
  H     17.64319703     12.61550155    -11.41965928
  O     17.99038602     12.98395762    -12.24388716
  H     15.71186948      8.72764301    -14.23116827
  H     18.08208227     12.23715388    -12.85634102
          69
 Energy    -248.72659523280669     
  O     14.85324564     13.50388693     -9.89190546
  H     14.36943287     12.77707226     -9.48113151
  H     13.03752861     14.42752633    -14.19814790
  O     14.83339027     11.96212576    -16.26242660
  H     15.69778114     13.56994938     -9.42774518
  H     20.83389806     13.29886680    -12.32631907
  O     16.62681490      9.21652440    -10.88469819
  H     15.75727547     11.70370269    -16.36806261
  H     19.40358006     13.79764998    -12.00991868
  O     16.40243412     16.60052724    -12.00866550
  H     14.35832539     11.17694010    -15.96599340
  H     13.67198776     10.61029189     -9.46014882
  O     16.66598580      7.33518806    -13.01905345
  H     16.67410855      8.44487391    -11.46089574
  H     12.96906104     11.02797796     -8.14722334
  O     15.76217857     12.72022366    -12.45443334
  H     17.17255542      9.89773356    -11.30801074
  H     17.96855999     12.02049463    -16.00440563
  O     13.85752385      9.71814619    -10.96919844
  H     16.45224224     17.54811886    -11.91997401
  H     18.02991862     11.24867689    -17.34273178
  O     17.70898941      9.38607707    -14.40852583
  H     15.49766514     16.34015058    -11.75340525
  H     12.51544624      9.50933981    -15.65624448
  O     18.56923486     13.33631322    -15.06587206
  H     17.04728026      8.02488473    -13.59430133
  H     13.56284156      9.12074098    -14.59212979
  O     13.32282365     11.55934635    -12.97129317
  H     17.16081536      6.53678708    -13.17978577
  H     15.62710268     10.86569690     -8.40970775
  O     14.13133192     14.51631972    -15.76017622
  H     15.45763867     13.05967421    -11.60228147
  H     16.69420730     10.13706617     -9.24249164
  O     12.61557550     14.30716736    -13.33877353
  H     15.96847127     13.46940485    -13.02829045
  H     18.05508557     14.31781071    -10.22604231
  O     19.91675595     13.16993125    -12.55087192
  H     13.63165359     10.37712014    -11.64367159
  H     17.72387025     15.41009175    -11.28313302
  O     13.73883816     11.19396041     -8.68454981
  H     14.81807944      9.59163076    -10.97887348
  H     17.20178585     11.70932290    -12.35517715
  O     17.56826292     11.28899361    -16.50940490
  H     17.88660672     10.01434496    -13.69454936
  H     18.75128222     11.73854723    -12.29899310
  O     13.29873973      9.82355360    -15.21113252
  H     17.63128902      9.92044719    -15.20594855
  H     13.42171227     15.30024175    -12.04611878
  O     16.58078927     10.78392614     -8.53405153
  H     17.84607845     13.93059768    -14.81971978
  H     14.15412397     14.99893746    -10.72140880
  O     18.39517809     14.77679673    -11.00402113
  H     19.12868264     13.26902431    -14.28403980
  H     14.84536491      7.67734647    -13.24711557
  O     17.98929097     11.15108448    -12.25617240
  H     13.25923594     11.04243115    -13.78325124
  H     13.75317879      8.40642166    -12.44265057
  O     13.96724411     15.70387104    -11.35537889
  H     14.21690737     11.93439535    -12.93373608
  H     17.70326063     13.63649734     -7.86095694
  O     13.93642790      8.00066985    -13.29800819
  H     13.83046925     14.91362462    -16.57273962
  H     17.22149321     12.41367292     -8.67139652
  O     17.40049395     13.36935525     -8.72548988
  H     14.35901892     13.59091903    -15.96696976
  H     16.39538164     15.56308510    -13.54128895
  O     16.40650624     14.83622693    -14.17644792
  H     12.67255011     13.36080758    -13.15734779
  H     15.61047466     14.88060078    -14.72245749
          69
 Energy    -248.72621707089894     
  O     10.13052291     10.49281372     -9.66572905
  H     10.47525926     11.07524154    -10.36621182
  H     13.85424855     12.29244794    -14.85353271
  O     13.98015634      9.67663928    -16.79239255
  H      9.21912648     10.73487718     -9.52614328
  H     16.24303110      8.68467805    -12.64883938
  O     11.34701840      8.27815420    -11.02878708
  H     13.27206337      9.02708941    -16.69854840
  H     17.27474982      9.81944675    -12.91150807
  O     13.90076175     13.09220976     -8.46953160
  H     13.58188449     10.44352692    -17.22237020
  H     14.36809366      7.87592635    -11.89239517
  O     12.66002864     12.10664086    -17.59761263
  H     12.20512006      8.28506662    -10.58745769
  H     13.78072244      8.22366805    -13.26014032
  O     11.96877498      8.83231249    -13.66734676
  H     10.80828521      8.91982331    -10.55043260
  H     13.14950106     13.95609982    -10.01210905
  O     13.98853543      8.88945897    -10.11785076
  H     13.41856901     12.24997090     -8.38520160
  H     12.12603045     13.56293904    -11.09379644
  O     13.90787603     11.04535319    -11.84137991
  H     13.91895960     13.48717930     -7.60191431
  H     18.26224435     11.56718265    -14.56943487
  O     12.63051070     10.70593699     -8.36375340
  H     12.79950933     12.74529888    -18.29231886
  H     17.25525918     12.13827714    -13.53755743
  O     16.60163387     13.43652647    -12.59634179
  H     12.86378890     12.55632098    -16.76102510
  H     11.75774646     12.07193587    -14.51181661
  O     11.32584650     11.96427017    -11.60951534
  H     11.65872064      8.58134619    -12.78526965
  H     10.63848148     11.17049987    -15.09305599
  O     13.25508050     13.03077037    -15.05000990
  H     11.71385243      9.75271959    -13.80848030
  H     16.23473128     11.33882524     -9.91504701
  O     17.03248906      9.12001106    -12.29512753
  H     14.90303294      8.94429584     -9.81447853
  H     15.30717656     12.53862348     -9.53036723
  O     14.57604705      7.88260080    -12.83241923
  H     13.89538285      9.59043248    -10.78592604
  H     15.75897581     10.97666131    -14.44917871
  O     12.77358575     14.23959440    -10.85322874
  H     14.21192310     10.87546116    -12.74328697
  H     14.58337340     10.32643123    -15.25757563
  O     17.50624721     11.33917435    -14.03605645
  H     14.60058041     11.53567601    -11.38135766
  H     11.07616110     11.05410368    -17.20163016
  O     11.03981681     11.47304138    -14.26666085
  H     13.11154071     10.00885082     -8.82535679
  H     10.73691492      9.62669692    -16.72660817
  O     15.90081356     12.19556300    -10.21099122
  H     11.71352296     10.62921497     -8.65642609
  H     17.41381702      9.14728179     -9.17253617
  O     14.80199288     10.85721386    -14.47712040
  H     15.81610810     13.95048851    -12.81482975
  H     16.89195023      9.36493486    -10.61599689
  O     10.39126298     10.52757540    -16.77005119
  H     16.46234763     13.09834301    -11.70020789
  H     13.66443450     14.66875764    -12.28635705
  O     16.70159295      9.53484264     -9.67306132
  H     12.23657492     11.62775328    -11.62031018
  H     14.18068961     15.82149426    -13.17426069
  O     14.15188985     14.87033898    -13.10473242
  H     11.00468594     11.86241607    -12.51597576
  H     11.78068657      8.20356981    -15.30492605
  O     11.72050871      8.02948290    -16.26063049
  H     13.50034765     13.74416558    -14.45023873
  H     11.54980012      7.09666973    -16.35906395
          69
 Energy    -248.72536323504784     
  O     11.61372074      9.47854636    -15.96946854
  H     11.97558958     10.35090193    -16.16023702
  H     16.35093202      6.39290065    -13.38256567
  O     15.89011103      7.77190886    -12.33165049
  H     12.28724607      8.83855114    -16.24113909
  H     18.95152169      8.78195253    -14.17577456
  O     15.67159375     12.20644412    -11.89807145
  H     16.46838188      8.48667194    -12.03221764
  H     18.53857143      9.75849332    -13.04329163
  O     17.14309718     10.63794307    -15.74205242
  H     15.09511626      7.79301850    -11.78394044
  H     15.91126835     11.07569540    -17.05771437
  O     13.85173975      5.35044061    -15.03469753
  H     16.07778587     13.05263307    -12.07199058
  H     15.18045793     10.17055337    -18.06812717
  O     13.74011699     11.37659965     -9.94487194
  H     15.06069442     12.03561935    -12.63413948
  H     15.35245058      8.61361394    -13.85049883
  O     13.53307843      7.98920748    -10.88463498
  H     16.41828592     10.12937244    -15.34687554
  H     14.59962972      8.65386945    -15.22538419
  O     13.87029404     11.48776504    -13.84629833
  H     17.89141163     10.50433890    -15.14282752
  H     10.90223567      8.95878262    -14.50090367
  O     17.78942501      8.36009188    -17.26848093
  H     13.50956272      4.47048525    -15.16896662
  H      9.62206736      8.54443193    -13.73477861
  O     14.36398102      9.22361922     -8.44215348
  H     13.34010142      5.73890850    -14.30155991
  H     17.58999116      8.65985336     -8.30082513
  O     18.80143945      7.00358579    -14.99449610
  H     13.05905382     11.07991633    -10.56394409
  H     16.20478376      9.21820851     -8.66351362
  O     16.54751814      5.78566694    -14.11217484
  H     14.44387376     11.74832248    -10.49041500
  H     12.79878570      6.85146146    -12.22999260
  O     18.96534849      9.70921909    -13.90833780
  H     13.09816425      8.76503683    -11.26910539
  H     11.73896371      7.17789994    -13.29420428
  O     15.14210282     11.03471803    -17.64407359
  H     13.78638786      8.23722728     -9.98868031
  H     16.83949833     10.74209205    -11.66151299
  O     15.07310637      9.18670004    -14.57496907
  H     14.29270665     10.64640903    -14.08808444
  H     17.41597156      9.77213735    -10.59062711
  O     10.56605993      8.63945567    -13.64311915
  H     13.49594636     11.83753582    -14.66251787
  H     15.58362150      8.05506337    -19.49956128
  O     17.14755039      9.27996986     -8.87604255
  H     17.68034402      9.22104498    -16.84195838
  H     16.32733087      8.23876861    -18.15443329
  O     12.41920395      6.53508451    -13.05866778
  H     18.17733532      7.79587048    -16.58945200
  H     12.72979542     10.69033153    -12.66881776
  O     17.38888990      9.95782901    -11.54040942
  H     13.87398527      9.23932949     -7.62421085
  H     11.53946530      9.71967065    -12.48923707
  O     15.45378969      8.29010314    -18.58517167
  H     14.14674589     10.04894694     -8.91455909
  H     13.71075361     11.67217623    -16.90808229
  O     12.21884500     10.20535134    -12.00506969
  H     18.00480213      6.52396897    -14.70717098
  H     12.58316494     12.72996792    -16.93681234
  O     12.92062704     11.99270003    -16.43574289
  H     19.52814828      6.39021897    -14.92148276
  H     14.27956728      7.79932621    -17.27617186
  O     13.69824885      7.71955215    -16.50821131
  H     15.69392378      5.55575274    -14.49323350
  H     13.77507140      6.82864477    -16.14362518
          69
 Energy    -248.72501485120051     
  O     16.58890504     10.13130584    -15.98491227
  H     15.75091166      9.76883097    -15.65773646
  H     18.78218622      3.29697008    -15.80076350
  O     18.40067625      5.32174016    -12.01190435
  H     17.23017192     10.05038649    -15.27084019
  H     18.78786995      6.23126069    -17.95229257
  O     18.44116167      4.55285529    -18.65281264
  H     17.93610339      6.10597725    -12.34665975
  H     18.26491490      7.69460799    -17.81306266
  O     15.72042829      4.42202413    -18.34953692
  H     19.16257649      5.19783803    -12.58977067
  H     17.08503937      6.47754035    -14.68222095
  O     14.26668493      6.72026024    -10.20595870
  H     18.65414840      4.21354173    -19.51832419
  H     17.75486162      6.31345611    -16.07731083
  O     14.22485123      4.41569318    -13.64935901
  H     17.47784991      4.45841702    -18.54940527
  H     14.14390625      8.29424105    -14.46441119
  O     17.04129063      7.39635468    -13.11162352
  H     15.41299742      5.31826035    -18.15419789
  H     14.34494090      8.14217910    -15.98572388
  O     17.05156516      3.21421311    -15.19384073
  H     15.23421456      3.85765025    -17.73880068
  H     15.24090081      2.07561985     -9.40883333
  O     13.30450154      4.13372734    -10.96783598
  H     14.05839212      7.28366339     -9.46544897
  H     14.61850440      3.19186014    -10.28455669
  O     20.08140814      7.75358048    -15.02913575
  H     15.14210067      6.33323307    -10.02779072
  H     21.35851136      4.82503763    -13.78646795
  O     14.51909205      2.95793607    -16.16054014
  H     15.05043705      4.07417381    -13.27577682
  H     20.18649405      4.60338078    -14.76312525
  O     19.60599077      3.66818776    -16.14841199
  H     14.13775652      4.01972999    -14.52258204
  H     16.25813115      2.97062729    -11.67087447
  O     18.84539398      7.03158468    -17.41464803
  H     16.07905539      7.46191945    -13.05387478
  H     17.23717324      3.98915762    -12.31893139
  O     17.06437918      5.96347407    -15.49914384
  H     17.41844357      8.26329228    -13.30430192
  H     17.35940572      5.42534505    -10.38247658
  O     14.27390947      8.79565621    -15.27858078
  H     17.05166007      4.17669303    -15.33403785
  H     16.33892173      4.49219545     -9.69923905
  O     15.45961220      2.79227428     -9.99747716
  H     16.96511358      3.07114422    -14.24077732
  H     15.68110691      7.61899466    -17.75928299
  O     20.46526546      5.10321387    -13.97639370
  H     13.40128845      4.17154624    -11.92831644
  H     15.73109412      6.58391818    -16.61139868
  O     16.57955027      3.30517830    -12.51568997
  H     13.46047659      5.03401036    -10.65439257
  H     14.21171083      6.22565569    -13.30121308
  O     16.62447508      5.41283658     -9.75730148
  H     19.79470143      7.55907272    -15.93253791
  H     14.18744523      7.10540047    -12.02438003
  O     15.15532414      6.95082269    -17.30025534
  H     20.25470770      6.89972039    -14.61660069
  H     19.00174496     10.29213667    -13.45883333
  O     14.29258232      7.13662319    -12.98372981
  H     15.44408302      2.91518457    -15.85961246
  H     19.11885399      9.00316614    -14.31070238
  O     18.48735070      9.63225034    -13.91546199
  H     14.21084240      2.05705659    -16.22839529
  H     16.87728150      9.50251956    -19.04854438
  O     16.97208170      8.89353706    -18.32201390
  H     19.38389594      3.94501991    -17.04397399
  H     16.86157408      9.41139385    -17.50174338
          69
 Energy    -248.72481719045317     
  O     -2.57006719      7.96111452    -11.73245113
  H     -1.88284085      8.59503994    -11.48579194
  H     -5.89645373      5.73005440     -6.47364024
  O     -7.56838504      7.85472712     -8.74596159
  H     -2.81554477      8.10976753    -12.65520662
  H     -6.30207795     12.50947278     -9.88587600
  O     -4.60360005      9.66343022    -10.79036843
  H     -7.08799934      7.38593751     -9.44756715
  H     -6.70927259     11.17106226     -9.28201739
  O     -8.39715361      9.15616830    -13.09973571
  H     -7.75891826      7.19975527     -8.06473721
  H     -3.76586917      4.64325515     -8.98637568
  O     -2.81170325     11.78659157    -11.30036261
  H     -4.00630641      8.98984932    -11.13532384
  H     -3.38159900      3.22888076     -8.49793949
  O     -3.67147124      8.58041864    -14.23365401
  H     -5.21639280      9.92570694    -11.48996565
  H      0.15967672      9.91720970    -10.59231878
  O     -7.75229801      5.64550427     -7.00669871
  H     -9.20609468      9.14870409    -13.60395035
  H     -1.14064542      9.88491162     -9.75367509
  O     -5.68061033      9.77919818     -8.33153020
  H     -8.64826559      9.27369166    -12.16559590
  H     -4.12377615     11.95324478     -6.41204644
  O     -8.86877066      9.67785468    -10.47743972
  H     -1.96607948     11.34996660    -11.15052579
  H     -4.63860736     11.06618545     -7.56566374
  O     -1.89655572      9.91582372     -8.19701579
  H     -3.47254774     11.12230298    -11.05216600
  H     -4.86618037     11.29656803    -13.52447353
  O     -6.84326956      4.15555046     -9.08752358
  H     -3.41722833      8.39151258    -15.13311859
  H     -3.41732659     11.57919256    -13.10730931
  O     -4.93495400      5.72028400     -6.39398902
  H     -3.74047418      9.54896583    -14.15828771
  H     -6.87984156      8.01561198    -13.24919235
  O     -7.00809295     11.84419317     -9.90434658
  H     -8.45468033      5.22465947     -6.51833736
  H     -5.36648074      7.84932271    -13.58092718
  O     -4.06690459      3.89044118     -8.44988839
  H     -7.51232512      5.04138031     -7.73317973
  H     -3.95876918     12.98137745    -10.30730749
  O     -0.79016138      9.87817642    -10.66386278
  H     -6.39906921      9.13058416     -8.34027249
  H     -4.34389247     12.90874174     -8.82748468
  O     -3.96969923     11.72827693     -7.32717793
  H     -5.25203811      9.74122398     -9.20581786
  H     -7.10835116     10.44656940    -12.83559930
  O     -3.95118344     11.23966383    -13.83656924
  H     -8.55115619      9.03288147     -9.83137641
  H     -6.66379558     11.40227727    -11.69176385
  O     -6.11083177      7.44619129    -13.12181019
  H     -8.45920431     10.52047376    -10.24973908
  H     -3.47397581      6.82822372     -9.00718974
  O     -4.64125669     13.25059697     -9.67968434
  H     -2.35468393      9.12291773     -7.88783689
  H     -3.04838293      6.71344385    -10.50203198
  O     -6.38203092     11.00091160    -12.52484463
  H     -2.44174686     10.65551199     -7.90551249
  H     -4.41205511      8.49713528     -7.71574941
  O     -3.45838716      6.23272962     -9.77093966
  H     -6.73506440      4.84101778     -9.76239171
  H     -4.08423088      7.15728701     -7.00442173
  O     -3.70084692      7.87100574     -7.53697967
  H     -5.94685366      3.86219234     -8.88254589
  H     -5.22506563      6.34162595    -10.33502642
  O     -6.14984165      6.40665525    -10.60394563
  H     -4.63233837      4.99179676     -6.95054789
  H     -6.15947457      6.71585327    -11.52117631
          69
 Energy    -248.72441755147344     
  O     16.48909640      3.38190897     -6.97192267
  H     15.68173042      3.78396279     -6.60331924
  H     15.51024280     10.56874743    -14.38220075
  O     19.39479515     10.50855696     -7.90956615
  H     16.40065642      2.43894565     -6.86507737
  H     17.57123612      5.18018595    -12.09088283
  O     14.38532768      4.79151359     -5.99050980
  H     19.21923759     11.14447485     -8.61316634
  H     17.27414506      5.72929797    -10.68255910
  O     13.76982923     10.67280627     -7.75785948
  H     19.98342436      9.83936407     -8.28268340
  H     18.46286947     11.53317594    -10.77234122
  O     17.95078397     10.14732692    -11.79670609
  H     14.29395473      5.37096086     -6.76151225
  H     19.08697641     12.92506417    -10.51864630
  O     20.89574221      8.29742128     -9.03510268
  H     14.69267259      5.36606768     -5.27915312
  H     17.51143718      4.59311598     -5.83869750
  O     15.22425741      7.51074204    -12.72260937
  H     14.51856839     11.18856265     -8.08474547
  H     18.46512555      5.78384685     -6.01542181
  O     14.70386566      6.53885697     -8.13107464
  H     14.12089782     10.02879400     -7.13041250
  H     12.78864167     10.32651195     -9.15358817
  O     17.44398277      8.71390710     -7.33792423
  H     17.44191222      9.69198075    -11.10361762
  H     11.41728919     10.27688729     -9.87011755
  O     15.92506305     11.73486285     -9.26390080
  H     17.34107212     10.24628730    -12.53752500
  H     15.55223049      8.60872003     -9.98768307
  O     14.92087306      8.56197975     -6.21621547
  H     21.83264838      8.25723612     -9.20785476
  H     16.75268442      8.80273144     -8.98900281
  O     15.76748772     10.22804978    -13.52988246
  H     20.44798102      8.14068486     -9.88590335
  H     19.87834015      7.05069906     -8.00145963
  O     17.43241421      5.99053110    -11.60425846
  H     15.48262835      8.37617018    -13.06168890
  H     18.49969427      7.36213731     -7.39979928
  O     18.63438852     12.20355628    -10.08945562
  H     16.02526523      7.07361706    -12.40782776
  H     17.88904649      5.73982182     -8.51362904
  O     17.87240084      5.36139096     -5.38041559
  H     15.55268257      6.17616160     -8.41411657
  H     16.93229126      4.52849368     -8.39137882
  O     12.34935162     10.12672237    -10.00088849
  H     14.27644495      6.89914138     -8.92110825
  H     14.20423150      7.67736227    -11.27468534
  O     16.39388424      9.05785835     -9.84965449
  H     16.65917352      8.87774410     -6.80409349
  H     13.27843522      8.56054980    -10.35220063
  O     19.13001969      6.63792314     -7.55801560
  H     18.02640081      9.48845817     -7.37036361
  H     18.88072573      7.21578303    -11.45551310
  O     17.13757561      5.29853853     -8.93706912
  H     16.79588927     12.12066319     -9.40358179
  H     19.12876857      8.72123930    -11.63980621
  O     13.89138887      7.81610754    -10.36822927
  H     16.03680180     10.78620575     -9.43624577
  H     15.84323769      6.68071275     -3.31636963
  O     19.55231880      7.90077544    -11.35457715
  H     14.79215150      7.89751443     -6.91151013
  H     16.54735525      6.26227308     -4.62547776
  O     15.74209305      6.67388086     -4.26464770
  H     15.12279329      8.05691052     -5.41885638
  H     13.54298429     11.04108111    -11.17486238
  O     14.31702964     11.44569330    -11.58459620
  H     15.21143627     10.67873948    -12.86819887
  H     14.86770320     11.73743730    -10.84659005
          69
 Energy    -248.72398260372643     
  O     13.52397878     12.34840984    -13.49881922
  H     14.47343126     12.50005377    -13.43170734
  H     12.64372134      7.75844211    -16.85815205
  O     14.20175684      6.60853594    -14.42409068
  H     13.35861237     12.04342241    -14.40224308
  H     17.88970398     11.06770893    -15.75727952
  O     17.78300309      7.59163774    -11.96921780
  H     14.39554476      7.55064854    -14.54699959
  H     16.89695316     12.03677189    -15.08438029
  O     19.28748796      9.86929584    -15.36830222
  H     13.70895316      6.54769467    -13.59663388
  H     15.42046138      8.96208484    -15.69852308
  O     11.37621764      9.02430626    -16.15248491
  H     17.49442290      6.99355372    -12.67258475
  H     14.32870064      9.88469123    -15.11204336
  O     15.96176463      7.14338719     -9.95339097
  H     17.25406733      7.39153675    -11.18344675
  H     12.60187110     11.43651510    -12.36321966
  O     12.93461631      6.78216439    -11.95882055
  H     19.51231481      9.64243884    -14.45014880
  H     11.48374198     11.42176723    -11.29339225
  O     16.26293741      9.84477638    -12.57984387
  H     20.11691640      9.96667830    -15.83160839
  H     16.61349115      2.99293618    -12.79301504
  O     15.76271122      8.45087360    -17.47000884
  H     11.36424343      8.85930425    -15.19190749
  H     16.58289575      4.51208508    -13.01424917
  O     14.45372242      4.78541513    -10.64648764
  H     10.47064073      8.97769975    -16.44790502
  H     11.56058957      9.43744626    -12.90206677
  O     17.93578286      7.41926358    -16.06500121
  H     15.48374554      6.31592897    -10.08550228
  H     11.76900056      7.91452043    -12.98542985
  O     13.36444701      7.15275976    -17.06907843
  H     15.30939786      7.84483001    -10.07750211
  H     19.21842555      8.51573402    -12.45798063
  O     17.17004844     11.68496019    -15.93994098
  H     13.35822619      7.57184675    -11.58996843
  H     20.60500627      9.11013362    -12.16885671
  O     14.98658381      9.22051807    -14.87479646
  H     13.31721307      6.03024868    -11.49053954
  H     17.32433133      6.37109584    -14.76694525
  O     12.09609928     10.86073910    -11.76145385
  H     15.83942589      9.60469695    -13.42034817
  H     15.91120902      6.11254769    -14.17920052
  O     16.29156408      3.80666549    -12.41389099
  H     16.86662292      9.12773866    -12.35202664
  H     16.00178397     11.43156374    -17.18907717
  O     11.40582808      8.66880557    -13.46485951
  H     15.59971352      9.34383957    -17.79480943
  H     15.47897780     11.80271066    -18.59895156
  O     19.90359101      9.10459884    -12.81481519
  H     14.92034549      7.96937462    -17.48091579
  H     13.41009454      9.72939506    -11.06709772
  O     16.85499562      5.95611458    -14.02838281
  H     15.09230277      4.39438137    -11.26748753
  H     14.86393107      9.41649651    -11.48235880
  O     15.31564656     11.23163532    -17.85343412
  H     14.21905598      4.09944053    -10.02664863
  H     16.90104812     12.99975448    -12.71173189
  O     14.13089713      9.10164552    -10.93435942
  H     17.24606498      7.69080132    -16.68680493
  H     16.41491276     11.55100498    -12.95132833
  O     16.38008954     12.45926655    -13.30025933
  H     18.42065239      8.22226047    -15.84524260
  H     12.53916312     10.46308025    -16.16893263
  O     13.21946494     11.11981318    -15.96796298
  H     13.58415101      6.72413713    -16.23057506
  H     13.81742449     11.19020220    -16.72339064
          69
 Energy    -248.72363739257270     
  O     15.29916585      4.16807813     -9.19017895
  H     14.63742373      4.52090324     -9.80919552
  H     17.70402695      6.54953245    -14.05936974
  O     13.61503505      5.28289287    -10.96507489
  H     15.48258543      4.89397655     -8.58543219
  H     15.17584915      8.66929660    -11.43691016
  O     17.18611723      3.65239990    -11.20294332
  H     13.44452424      4.92338677    -11.84589236
  H     14.33031612      9.80971625    -12.02060206
  O     19.42311681      7.02739472    -13.49281217
  H     12.86836526      5.84937766    -10.73629587
  H     16.04865597      6.81976426    -12.57430009
  O     12.32498154      7.21119458    -13.34844497
  H     16.58727989      3.84841063    -10.47024093
  H     14.99926412      6.40522550    -11.47851220
  O     12.80641652      1.83710819    -12.55950579
  H     17.91909027      4.28350552    -11.16044097
  H     14.01571707      8.86114020     -9.72659435
  O     14.33730031      1.69809373    -10.29608585
  H     20.18860093      7.09564434    -14.05697941
  H     14.23944116      7.77240526     -8.64335500
  O     18.42634820      9.47837761    -13.00086028
  H     19.13937727      7.93871767    -13.29213545
  H     15.86870003      0.96492261    -13.11027034
  O     17.37139817     10.32148056    -10.44677735
  H     11.98834580      7.19936781    -12.44367552
  H     14.42765055      1.30432124    -13.53087034
  O     13.24156598      4.44122805    -13.54388618
  H     12.56985267      6.30345989    -13.56207102
  H     12.23713622      7.62465354     -9.96924416
  O     16.18136878      9.20442355    -14.59260809
  H     13.28666026      1.81317241    -11.71288134
  H     10.76073346      7.17848909    -10.10689638
  O     16.75399020      6.47213615    -14.22050754
  H     12.06695009      1.24153863    -12.46960484
  H     19.28983398      6.05785512    -11.89272710
  O     14.85479139      9.56671896    -11.24871971
  H     14.59747665      2.44558779     -9.74471874
  H     18.74084847      6.29750625    -10.47460248
  O     15.72627097      7.00506193    -11.68302933
  H     15.16317504      1.29740142    -10.59728084
  H     15.82020166      2.97192016    -13.97104382
  O     13.56371949      8.30619263     -9.07624714
  H     18.16037603      9.83618206    -12.14872451
  H     16.39203610      3.87705722    -12.85535281
  O     15.32795874      1.22216031    -13.86863654
  H     17.64412543      9.51395514    -13.57388306
  H     17.08273294      1.88513843    -11.36526007
  O     11.60753778      7.15227041    -10.54366991
  H     17.42886970     11.20335090    -10.08833781
  H     17.60167422      0.44101977    -11.17760819
  O     19.08209204      5.61171391    -11.06158181
  H     16.44771978     10.18870793    -10.72104991
  H     15.97488639      6.86516821     -6.97524329
  O     15.98314294      3.89488997    -13.73214783
  H     12.92889930      3.55313816    -13.32290779
  H     16.42513294      7.02105850     -8.44449100
  O     16.83764586      0.94649477    -11.44201775
  H     14.18678093      4.34403054    -13.73039422
  H     17.65533115      8.53650879     -9.83882390
  O     15.70327892      6.70369190     -7.87598160
  H     15.26353409      9.37704887    -14.35692408
  H     16.95875673      7.29764630    -10.44435379
  O     17.53709477      7.58704401     -9.71818923
  H     16.27032123      8.24246024    -14.64088803
  H     13.07269080      8.76955537    -13.63244796
  O     13.47854360      9.65245067    -13.69202494
  H     16.53292135      5.53076459    -14.23434433
  H     12.88640610     10.18918574    -14.21212905
          69
 Energy    -248.72333884961836     
  O     17.27521256      9.99116031    -10.45135096
  H     16.79348230      9.24013777    -10.06659135
  H     12.06574389      8.11399510     -8.40434061
  O     13.52698971      4.77489279     -9.18448841
  H     17.09996955     10.72358263     -9.85202218
  H     19.55994453      6.24921309    -13.19549495
  O     11.86452559      7.04475348     -9.71262614
  H     13.39058965      3.84205163     -9.32918208
  H     18.81504135      5.34620227    -12.19240675
  O     15.94896536      9.63289808    -12.86549219
  H     14.25237340      5.04641362     -9.77096074
  H     15.34074229      6.10518417    -11.65993601
  O     19.37280815      8.20856641    -10.67822561
  H     12.31471752      6.20250265     -9.58394512
  H     15.53837936      6.64203428    -10.22238661
  O     19.77082530      8.26308890     -7.87261484
  H     12.04322978      7.31489623    -10.62528335
  H     19.46160876      8.35731989    -13.82354722
  O     18.28664776      5.65425521    -10.34981460
  H     15.09297476     10.04168974    -12.68756364
  H     21.01032710      8.35203238    -13.80592518
  O     12.56852024      7.88182135    -12.24501340
  H     16.48831029      9.80834158    -12.08161451
  H     18.48172549      9.40377519     -7.17988198
  O     16.26582007     11.56114360     -8.26930385
  H     18.72917501      8.93004958    -10.64482794
  H     17.12831190      8.98453317     -6.60766277
  O     13.47526216     10.58919430    -11.89620279
  H     19.77057269      8.21940700    -11.55724899
  H     17.25941623      9.14282101    -14.13050892
  O     13.92191532     10.30276692     -9.19673231
  H     19.46064817      7.37797202     -7.65076327
  H     17.59895027      7.84369731    -14.89430874
  O     12.29190738      8.67701451     -7.63843417
  H     19.80543032      8.28349173     -8.83774248
  H     15.91379641      7.87349872     -8.39895034
  O     19.00018208      5.46478797    -13.13148569
  H     17.33419262      5.65579231    -10.52175441
  H     14.95254423      8.74571417     -9.27980740
  O     15.52653058      5.82795193    -10.75297318
  H     18.61587226      6.55936335    -10.46384049
  H     13.29429836      7.11575107     -6.97386141
  O     20.24247823      8.04490409    -13.33197006
  H     13.32311682      7.46235808    -12.67683136
  H     13.69152718      5.73404270     -7.53221958
  O     17.64766868      9.76358424     -6.84684381
  H     12.78042118      8.82178936    -12.20599231
  H     15.40957251      7.87913381    -13.08798465
  O     17.95610210      8.70200551    -14.63402993
  H     16.44524772     12.43447172     -7.93275469
  H     15.64606510      6.57189097    -13.88640832
  O     15.66744798      8.09872139     -9.30709583
  H     16.76825277     10.93849850     -7.70983198
  H     18.93174603      4.85059930     -7.26114276
  O     13.81522687      6.32733169     -6.78064459
  H     12.93262986     11.35843916    -12.05099840
  H     18.44251160      5.53716044     -8.55445529
  O     15.07949579      6.97857890    -13.21951986
  H     13.60359832     10.52492524    -10.93464234
  H     15.50408986      6.86308594     -6.62265029
  O     18.49104380      5.63073436     -7.58903407
  H     14.63778845     10.78579220     -8.76111611
  H     17.03127439      6.62692199     -6.92822445
  O     16.36076403      7.29766919     -6.74819072
  H     13.35221245      9.88613801     -8.53538497
  H     17.72705999      5.71802497    -14.30700813
  O     17.04429867      5.99270201    -14.94517954
  H     11.48279929      8.82392747     -7.15548059
  H     17.09091005      5.38599785    -15.67884094
          69
 Energy    -248.72330899379031     
  O     -3.53073051      1.29385827     -8.57225415
  H     -4.25531718      1.90388257     -8.39190550
  H     -5.02151915      7.79205998    -10.91557114
  O     -2.53412432      5.03037937     -7.90694523
  H     -2.71422750      1.73309977     -8.30248618
  H     -4.51076047      2.42537880    -11.42601673
  O      1.84187257      6.05340207     -8.45899392
  H     -2.90255347      5.04581858     -8.80558960
  H     -4.49408567      3.91726799    -10.98208006
  O     -6.73221501      7.07379880    -10.88876427
  H     -3.14824533      5.51808361     -7.34702234
  H      1.97052016      2.68202846     -7.25188604
  O     -1.47751969      4.79910280    -12.44465936
  H      1.81483678      5.12533067     -8.19426582
  H      0.64613307      3.02873571     -7.96824555
  O     -5.92805201      2.95306822     -8.65011466
  H      2.11245298      6.05664353     -9.38504522
  H      0.20309090      6.77983570     -8.51512077
  O     -3.01803374      8.55673629     -8.22566007
  H     -7.58737840      7.49371742    -10.85212807
  H     -1.27703147      6.32157678     -8.40991756
  O     -1.08127410      2.76206725     -8.33183464
  H     -6.61188922      6.60757693    -10.04147693
  H      0.87893064      2.87167926    -11.00361132
  O     -6.26848545      5.79449642     -8.53710479
  H     -0.96309278      5.56841581    -12.16882515
  H      1.82462001      3.16953907     -9.82690248
  O     -3.33139427      0.94126941    -11.25746072
  H     -2.09162555      5.08975311    -13.13744736
  H     -1.54737379      8.01716985    -12.40372078
  O     -3.38491724      5.21964201    -10.47809925
  H     -5.73949712      2.99071961     -9.60371918
  H     -2.02119494      9.18955155    -13.28983103
  O     -4.08430934      7.92266677    -10.72168420
  H     -6.71735092      2.42471803     -8.54913537
  H     -3.10553932      6.84838550    -13.81088404
  O     -5.07617738      3.18698194    -11.24959892
  H     -3.43165609      8.46031176     -9.09534715
  H     -4.21857687      5.76636766    -13.77225918
  O      1.59460731      3.23793862     -7.92955925
  H     -2.11552737      8.22781679     -8.33305848
  H      3.05149624      5.94884434    -11.80956841
  O     -0.70720569      7.03505119     -8.72467328
  H     -1.56283284      3.57124877     -8.10010252
  H      2.05598067      4.92367598    -11.22003315
  O      1.73333262      3.26468295    -10.78325971
  H     -1.04395823      2.70486381     -9.29859999
  H      0.63954239      6.81238190    -11.51659575
  O     -2.32199291      8.39764105    -12.85074652
  H     -5.68254275      6.16659636     -7.86653993
  H     -0.49992251      7.15034270    -10.52440194
  O     -3.31370136      5.94402595    -14.06949047
  H     -6.15830584      4.83757116     -8.49030624
  H     -1.12216646      3.26717000    -11.66417256
  O      2.22760750      5.87574253    -11.33509813
  H     -3.46379045      0.03775596    -11.53178903
  H     -1.68791323      1.87289461    -11.28686161
  O     -0.27237272      7.12796031    -11.46613464
  H     -3.41578515      0.96029737    -10.28650345
  H     -6.21000808      5.92512455    -12.33833565
  O     -0.95706920      2.47936231    -11.12278504
  H     -3.66738001      6.14040789    -10.55222177
  H     -5.70749377      4.48781704    -12.53030580
  O     -5.81868317      5.33005568    -12.98863818
  H     -2.70868859      5.07001990    -11.15197790
  H     -4.48346410      7.11675597     -5.79164474
  O     -4.36415632      6.79708603     -6.68157530
  H     -3.61933552      8.17727797    -11.52834584
  H     -3.90879117      7.50273873     -7.17679564
          69
 Energy    -248.72313168241089     
  O     12.52443878      9.30976879    -11.41899960
  H     12.23400514      8.71976069    -12.12524066
  H     12.93793709     12.00726199     -8.87006493
  O     11.70078334      7.55847434    -13.45506256
  H     12.01829606     10.13025354    -11.47386754
  H     12.32959442      8.55845781     -9.81316996
  O     11.12704314     11.71429405    -11.35587551
  H     11.39540486      6.76130277    -13.00319188
  H     12.86474501      8.48966882     -8.34242123
  O     15.19396986      9.65826629    -11.22649548
  H     10.92819366      8.05606846    -13.75222170
  H     14.34744913     10.19486541     -7.89481759
  O     15.64121098      6.94306448    -11.84902420
  H     11.57680919     12.26068615    -12.01232210
  H     14.26272888      9.61966562     -6.47159029
  O     13.18342730     15.39928366    -11.56701895
  H     11.41554646     12.01791778    -10.48563070
  H     12.66281172      5.69111734    -10.98861366
  O     12.62665664     13.15199804    -13.17283670
  H     14.23406731      9.55056708    -11.33592345
  H     13.09510264      6.62306246     -9.84415622
  O     15.29286651     13.56025912    -10.83728115
  H     15.56619832      8.78370307    -11.37989271
  H     15.19693728     11.03145295    -12.43900646
  O      9.82843288      7.21891082    -10.20919625
  H     16.35092417      6.31498360    -11.74436277
  H     14.92923920     11.32675670    -13.92534858
  O     11.74832571     15.04201236     -9.28429690
  H     14.87642072      6.58107820    -11.36761475
  H      9.01507857      9.36408365    -14.83135659
  O     14.35122195      7.80861646    -14.26762049
  H     12.64774818     15.33094924    -10.75768331
  H     10.34621527     10.00387528    -14.37796484
  O     12.04164449     12.36095249     -8.79648608
  H     13.32946790     16.32866161    -11.72324600
  H      9.15688599      9.53647229    -12.24504309
  O     12.21104339      8.12000467     -8.95400250
  H     12.75456927     14.00216447    -12.73474475
  H      9.76586396     10.52437870    -11.26872860
  O     14.02377682      9.44094668     -7.37771757
  H     13.47323363     12.68387832    -13.11708952
  H     10.90927221      9.46782915     -8.44239509
  O     13.43688945      6.02955944    -10.52324531
  H     14.65397330     14.25483642    -11.03343815
  H      9.68435476     10.07269678     -9.13488964
  O     15.05366926     11.75307734    -13.06777726
  H     15.38455259     13.05447890    -11.65496923
  H     11.85097202     11.88875664    -14.35875452
  O      9.66460138      9.35111587    -14.13314548
  H     10.55926139      7.42462974     -9.61271019
  H     12.53417695     10.72649563    -15.08624684
  O      9.19507935      9.74225218    -11.30308624
  H      9.54963340      8.06221188    -10.59260067
  H     14.41415812      9.36910773    -14.99344140
  O     10.31835067     10.23109621     -8.43001024
  H     11.05034607     15.39887402     -8.74142380
  H     14.76394404     10.22205095    -16.23598012
  O     11.66957299     11.05660307    -14.81312870
  H     11.84142954     14.11101191     -9.02332328
  H     10.45507617      5.99767666    -11.24744982
  O     14.37154516     10.26760271    -15.36821870
  H     13.42076158      7.63652266    -14.06436954
  H     10.47157362      4.58605171    -11.88819166
  O     10.95261274      5.40736327    -11.84365409
  H     14.85564496      7.48934834    -13.51113072
  H     14.94983803     12.28251682     -9.58988350
  O     14.68578143     11.45020385     -9.17138858
  H     11.44928468     11.64989602     -8.51149563
  H     14.93591847     10.76293342     -9.80586256
          69
 Energy    -248.72301127014836     
  O     10.84276179     10.93098248    -15.14848246
  H     10.80329694     11.62644052    -14.48077933
  H     18.64703494      8.24309428    -15.06175675
  O     14.68389263      6.13295298    -12.21297792
  H     11.13447923     11.35398374    -15.96597900
  H     16.59688696      8.50484829    -10.71858432
  O     16.94298464     11.03147034    -14.00657003
  H     14.69029538      5.17852116    -12.20314863
  H     16.09449820      7.19784209    -11.39096017
  O     12.01852976     12.01056058    -17.54204230
  H     14.78304896      6.40050887    -13.14209492
  H     16.75938520     10.63715976    -17.14202071
  O     14.24234425     10.98881721    -13.46017881
  H     17.17296240     10.09469421    -13.93228662
  H     15.26816729     10.68298949    -16.75666772
  O     14.72763853     14.16474578    -11.54664584
  H     16.74053997     11.19219702    -14.93872101
  H     11.32373407     12.90857275    -12.34111417
  O     12.46119332      7.89155936    -11.84809293
  H     12.78562196     12.55552485    -17.28870195
  H     10.13015231     13.58322377    -13.05385370
  O     13.53699513     13.64180147    -14.03638281
  H     11.63925229     12.41114841    -18.31938308
  H     16.01006821     10.12444128     -8.86556686
  O     15.48775027      7.64946081    -17.37023690
  H     13.94746543     11.87349088    -13.70829289
  H     15.09033486     10.11640781    -10.10954353
  O     13.52460849     10.23293043    -10.89797388
  H     15.19786686     10.96145947    -13.59779523
  H     15.01174888     12.74721349    -16.73671478
  O     14.84800606      7.22568678    -14.74342618
  H     15.44918962     13.51129429    -11.51671278
  H     14.07124668     13.53911805    -15.79174878
  O     19.29135055      8.31703488    -15.78488974
  H     15.07526391     14.97116455    -11.17514467
  H     17.30642465      8.09779043    -12.92787430
  O     16.87336226      7.75160055    -11.25457453
  H     13.15334686      7.21870333    -11.87512743
  H     16.48715025      7.95094820    -14.23667303
  O     16.10467804     11.16089096    -16.66334945
  H     12.33182638      8.17227542    -12.76175729
  H     16.93547799     11.93442662    -12.36568872
  O     10.91254845     13.06062903    -13.21092917
  H     13.97317825     13.94964214    -13.23050775
  H     16.59368657     11.54964134    -10.90622473
  O     16.01751922     10.07046187     -9.81823858
  H     12.59249258     13.57100578    -13.84312461
  H     13.07750792     10.47106067    -17.40884516
  O     14.23789045     13.32356418    -16.72029388
  H     16.31543157      8.08692953    -17.59966716
  H     13.29928717      9.47876032    -16.25221353
  O     17.31830386      8.28697279    -13.87813797
  H     14.80263630      8.32371079    -17.48017006
  H     13.10911349     13.28344864    -10.98920607
  O     16.69458798     12.29994051    -11.50383497
  H     13.07212177      9.39494303    -11.06946014
  H     12.61068457     11.84872534    -10.73437333
  O     13.66977544      9.77833308    -17.09167665
  H     13.81383618     10.56150197    -11.76323807
  H     18.33789743      9.25661295    -18.67621455
  O     12.30825141     12.75138184    -10.90220843
  H     14.05007736      7.76567451    -14.67454970
  H     18.41662896      8.94209946    -17.16395689
  O     17.83313883      9.27615234    -17.86727009
  H     15.09670809      7.21341868    -15.68016432
  H     11.88640314      9.54134103    -14.73140883
  O     12.68612986      9.03687225    -14.51603431
  H     20.15001942      8.20113567    -15.38706678
  H     13.29036460      9.68308383    -14.11356790
          69
 Energy    -248.72294293539005     
  O     19.57314391      9.10953256     -6.88130952
  H     20.15451679      9.32880950     -7.63075484
  H     16.56933395      8.91110235     -8.33201515
  O     17.83750981      5.07388602    -10.32172832
  H     19.89433944      9.60345680     -6.13108938
  H     20.74349138     10.15329919     -9.81203524
  O     18.50784751      6.44428977    -13.55821878
  H     17.22228068      5.02055885    -11.06359082
  H     21.38453436      8.80226444     -9.47312309
  O     18.49838628      9.03445527    -12.78660719
  H     18.11579359      6.00076489    -10.27646272
  H     15.42980484     10.76489192    -12.93357544
  O     20.92593265      5.29142175    -12.43685892
  H     19.27011157      5.97570027    -13.19790890
  H     16.36052160     10.67041897    -11.69874434
  O     16.09434717      5.37562590    -12.43193053
  H     17.71743952      5.95535348    -13.29611905
  H     11.93530349      6.79882410    -11.87617409
  O     21.35703292      5.29290234     -8.16715538
  H     18.51502129      8.15574260    -13.19862332
  H     13.37407648      6.96751293    -11.33549483
  O     14.35131225      3.95242990     -8.21864403
  H     17.59655643      9.37489851    -12.83125038
  H     15.90857931      6.79225077     -8.25046086
  O     21.20126129      7.09385988    -10.26090246
  H     21.52331406      4.85743127    -13.04069587
  H     14.46411499      7.33058714     -8.37209938
  O     18.52850210      7.74939181    -10.29148261
  H     20.71147540      4.64387374    -11.74168637
  H     15.22894174      7.70968846    -10.36168267
  O     19.05523368      6.27985908     -6.77629546
  H     15.78183344      6.24094500    -12.13130075
  H     15.28272640      8.58121897    -11.66122595
  O     17.30574886      9.52348761     -8.47527925
  H     15.42901829      4.74613106    -12.11598011
  H     20.53671744     11.43007322    -12.00462327
  O     21.10696967      9.64004262     -9.07982124
  H     22.24037948      5.24424531     -7.80922092
  H     19.56826097     10.22838919    -11.96643354
  O     15.92249082     10.14981838    -12.39707590
  H     21.37996816      5.95475001     -8.87846738
  H     17.11130671      5.04315670     -8.71362326
  O     12.55137956      6.46070941    -11.23150471
  H     15.20985059      4.34391707     -7.98633880
  H     17.50544738      5.55038177     -7.30815152
  O     15.39207338      7.56585771     -8.51409034
  H     14.24052287      3.18955664     -7.65635475
  H     12.59079860      6.44288339     -9.30550106
  O     15.01510134      7.72578479    -11.30518414
  H     20.27001769      7.36195270    -10.20005882
  H     13.25688829      5.53661306     -8.25627930
  O     20.00525406     10.89956600    -11.41541760
  H     21.26821558      6.57556667    -11.07179275
  H     18.26778390     11.42085995    -10.73062373
  O     16.75810024      5.22291890     -7.82869127
  H     18.46199974      8.15411222    -11.16587450
  H     17.27682034     10.84969144     -9.69569965
  O     12.89606459      6.42315515     -8.38993829
  H     18.13744477      8.36382467     -9.65956544
  H     19.33760996      4.05762210    -10.29799476
  O     17.33597058     11.41200803    -10.48279048
  H     19.83550430      5.87451739     -7.17441862
  H     20.65585722      4.03752116     -9.50840243
  O     20.24703202      3.72207769    -10.32224376
  H     19.23253974      7.22723446     -6.75261617
  H     14.19851900      3.89914771    -10.15926586
  O     14.08117335      4.02978583    -11.10771438
  H     17.96119508      9.40371431     -7.77714404
  H     13.42894109      4.73721253    -11.18895125
          69
 Energy    -248.72274475782814     
  O      9.72864632     11.46400447    -11.11259233
  H      8.92822948     11.93276721    -11.33201431
  H     12.08545103     12.49757450    -13.37680838
  O     14.61564279      9.39648720    -15.41107386
  H     10.35870678     11.62177337    -11.83841603
  H     15.98298792     12.09831448    -14.33355525
  O     10.65857199      8.77330704    -11.01414827
  H     14.76784943      9.99801353    -16.14912609
  H     15.60042601     12.59792169    -15.74087461
  O     13.82817488      7.17236919    -13.69010581
  H     15.21645455      9.69272102    -14.71163729
  H     17.17132252      9.38132226    -10.28297300
  O     14.37428020     12.52039605     -9.52599598
  H     10.22088579      9.63352520    -10.99221029
  H     15.87945406      8.52968168    -10.23642168
  O     14.88440532     11.63746683    -17.21777826
  H     11.27461559      8.76866300    -10.27311398
  H     14.17884048      9.14268616    -11.41733225
  O     11.01394985      7.71672913    -13.49814962
  H     12.86675420      7.26449124    -13.67252358
  H     14.22843658      7.71322584    -12.00379173
  O     12.77996136      9.07174161     -9.05791142
  H     14.14215126      7.75606831    -14.38994264
  H     14.08578675     14.06943919    -10.83448651
  O     13.99870530     10.89486534    -11.80855856
  H     14.74401421     11.87718852     -8.90406452
  H     14.91224750     14.76730366    -11.92936679
  O     11.81312857     11.76173474     -9.21875583
  H     13.41191912     12.44466029     -9.40595918
  H     17.80460765     11.35481961    -11.13564498
  O     17.01285200     12.83631091    -10.68759849
  H     13.96145486     11.90370016    -17.05496481
  H     19.10259689     10.55878229    -11.42744258
  O     11.61854938     11.72226769    -13.03554956
  H     15.02774001     11.70064453    -18.15818200
  H     14.02489605     13.43122429    -14.36547350
  O     15.77921594     12.89861854    -14.84227921
  H     10.35774435      7.03342752    -13.60873487
  H     13.30984766     14.16511663    -13.21798373
  O     16.55860716      8.94146413     -9.68293697
  H     10.90209824      8.06514058    -12.59612544
  H     16.92502439     10.44252974    -12.86250055
  O     14.33072260      8.21427720    -11.18448502
  H     13.46248741      9.42981725     -8.47829505
  H     15.39717129     10.71658565    -12.83967432
  O     14.01079457     14.63978661    -11.60581417
  H     13.27029015      8.61645500     -9.75978021
  H     12.44230430     12.93940772    -15.73372221
  O     18.15136784     10.50289355    -11.45850365
  H     13.13829092     11.13666215    -12.17144003
  H     12.00796311     11.49696444    -16.07966069
  O     13.15630907     13.73821245    -14.07421884
  H     14.14074129     11.43510891    -11.02258624
  H     15.47078749     10.27938858     -7.02010113
  O     16.15725228     10.58037624    -13.42804382
  H     12.04807168     10.82690744     -9.14141167
  H     15.70164827      9.83974365     -8.48742225
  O     12.36602199     12.30973472    -16.46115766
  H     11.02209100     11.78693770     -9.76835182
  H     17.08252204     15.38668803    -13.17397493
  O     15.12313265     10.36397426     -7.90373585
  H     16.94451486     13.48589715    -11.39895917
  H     16.36967577     14.09055364    -13.62129074
  O     16.59961082     14.63106888    -12.84795282
  H     16.15874318     12.82934082    -10.24142894
  H     12.81999174      9.68260975    -15.15497992
  O     11.87776626      9.87916846    -15.04817182
  H     11.63565753     11.05067476    -13.73199861
  H     11.47999904      9.10907970    -14.62172366
          69
 Energy    -248.72272525518844     
  O      4.34532303      8.96196187      3.68576326
  H      3.65342896      9.34603490      4.23687555
  H      1.59655246      5.72174520     -2.80500887
  O      2.92434486     11.31275582      0.40395596
  H      4.07864566      8.04539194      3.53366361
  H     -1.23713552      8.96428471     -0.89112179
  O      1.49960917      8.09048341      1.51430948
  H      3.75947633     10.88915243      0.62980726
  H     -0.35324586     10.22510982     -0.93989974
  O      2.07304681      9.92058814      5.13797982
  H      2.36201664     11.21978162      1.18801925
  H      5.09722160      8.47711633      0.11301937
  O      3.22341451      6.49486001      2.96146472
  H      1.78151103      8.16923947      0.59329419
  H      3.94356583      7.97680126     -0.78801764
  O     -1.40314022      7.08396063     -1.39980904
  H      1.44576690      8.98305043      1.88114013
  H     -1.72184917      9.76640527      2.64841639
  O     -2.09342909      8.05963925      3.51623831
  H      1.43161323      9.18744673      5.15935469
  H     -1.38141708     10.29483674      1.22828078
  O      1.31758083     10.68510841      2.54325393
  H      2.00171771     10.37207800      5.97453362
  H      1.77433705      7.47359099     -1.58375849
  O      3.00640129      5.41075303     -3.83084313
  H      2.60305801      7.05376413      2.46636645
  H      1.88464023      9.04431035     -1.49370320
  O      5.17578464      5.53831433     -2.12593772
  H      3.71694935      5.98119852      2.30914343
  H      1.82949609      4.79265134      5.28948863
  O     -0.94308585      6.82829855      1.36776164
  H     -2.11217346      6.82640229     -1.98408762
  H      2.14058315      5.70113815      4.07551821
  O      0.97485274      5.89635000     -2.08229545
  H     -0.60052658      6.64357001     -1.72499705
  H      0.58219782      6.98191769      4.96716823
  O     -1.14317877      9.85192184     -0.53000883
  H     -1.77801413      7.56882577      2.73829104
  H     -0.55703766      7.97041648      4.61473667
  O      4.84075647      7.76743065     -0.48652453
  H     -2.97461202      7.74547280      3.70266838
  H      6.08974656     10.36052964      1.47174011
  O     -1.35969953     10.52016318      2.17120662
  H      0.35105072     10.73539575      2.47286442
  H      4.94685848      9.59750817      2.17539772
  O      2.23272661      8.20805598     -1.15862168
  H      1.55180568     10.56063693      3.46961106
  H      1.38737881     11.44303763     -2.35224657
  O      1.41941632      5.31088759      4.60157699
  H      3.80384105      5.43681678     -3.27637306
  H      1.91037396     11.03678664     -0.95221741
  O      0.28439112      7.89221982      5.08027769
  H      3.31408025      5.34745298     -4.73091617
  H     -0.27249375      5.20894372      1.89669283
  O      5.26714668      9.90561863      1.30914045
  H      5.22985235      6.43061292     -1.75321673
  H      0.60486848      4.62564484      3.02173313
  O      1.32144307     10.76823848     -1.68272659
  H      5.14504180      4.97172243     -1.35056969
  H      1.28007487      4.23205035      0.74934895
  O      0.26933539      4.44400259      2.13621202
  H     -0.09666001      7.29899367      1.43783817
  H      1.87099787      3.23149619     -0.26914619
  O      1.82029369      4.16101479     -0.05745166
  H     -1.21941275      6.88354886      0.44606753
  H      4.50080525      6.12202882      0.33746675
  O      4.33628409      5.25852593      0.74553581
  H      1.21655319      5.29607747     -1.36324595
  H      3.48710327      4.93691627      0.41436644
          69
 Energy    -248.72257832189339     
  O     14.65135690      9.77310804    -15.76959645
  H     13.81153271      9.32738651    -15.94198165
  H     17.14140587      4.58778835    -11.86855211
  O     10.76358053      8.49955925    -11.65816620
  H     14.44902392     10.48400539    -15.14912884
  H     14.72883541      8.77320578    -12.05348562
  O     14.93753292      6.17805862    -10.17081240
  H     11.14219855      8.54873946    -10.77249302
  H     14.76584221      7.29287322    -11.56981891
  O     13.01614771      3.08073658    -10.02130620
  H     10.63152866      7.56174113    -11.83862491
  H     11.59669297      7.98568197    -16.54580988
  O     11.90915697      8.47837472     -9.01378025
  H     15.29429073      5.36011692    -10.54105702
  H     12.36718016      7.66806409    -15.24286222
  O     13.85257533     11.65925024    -13.73050444
  H     15.58626815      6.58319448     -9.58277108
  H     17.23539223      7.64304307     -7.90700417
  O     11.65536756     10.14490510    -13.69243923
  H     12.69449110      3.95916849     -9.76140413
  H     17.28393290      7.74954562     -9.45150982
  O     15.45704508      3.75348939    -11.38082373
  H     12.74676235      2.47840356     -9.33174789
  H     17.37308998      9.12645797    -13.54110730
  O     12.02970584      3.18227553    -12.74175711
  H     11.46263706      8.98970980     -8.34363417
  H     18.47864905     10.18521608    -13.32529807
  O     15.31529815     10.48731637    -11.67519184
  H     12.81141214      8.83778280     -9.07905502
  H     13.27085611      5.90311287     -9.77572676
  O     10.96695930      5.65147966    -12.03666727
  H     13.60979678     12.56552135    -13.89903692
  H     12.02390271      6.60187565     -9.23176552
  O     17.74972851      5.23759281    -12.24021001
  H     13.02000023     11.15286689    -13.66797282
  H     14.72928298      9.96629483     -9.97938512
  O     14.63067528      7.85788888    -12.34137491
  H     11.67539005      9.57792317    -14.47118634
  H     15.20695631      8.94387989     -8.93161601
  O     12.17668905      8.36720217    -15.89225193
  H     11.31091654      9.60595752    -12.96543184
  H     18.13274267      8.34571102    -11.55608176
  O     16.68622150      7.73440596     -8.68022303
  H     15.09352772      3.92782951    -12.26308738
  H     18.08467519      6.80260944    -11.37653360
  O     17.79134060      9.69862843    -12.87677912
  H     14.74228898      3.35562041    -10.86989029
  H     12.07234305      6.30447753    -13.30993414
  O     12.33431086      5.75196730     -9.56613541
  H     12.34302184      2.98528674    -11.85021914
  H     13.37209522      7.14864899    -13.35050461
  O     14.44540317      9.47151934     -9.19949169
  H     12.82034101      3.38104964    -13.25781502
  H     15.79455694      8.62872396    -15.06830289
  O     18.17114104      7.64208431    -10.90041564
  H     16.21066955     10.34866715    -12.00800275
  H     15.75878838      7.86687189    -13.71735402
  O     12.77591407      6.61315288    -13.89651817
  H     14.82928859     10.97819012    -12.35255994
  H     16.69595919      6.35053019    -14.90725091
  O     16.30570704      8.03039919    -14.50198467
  H     11.13515161      4.75281999    -12.35559129
  H     17.34434161      5.24771618    -15.77747445
  O     16.84795891      5.39242713    -14.97596216
  H     11.39279266      5.70029483    -11.16947263
  H     13.84919489      5.13146142    -13.96516260
  O     14.42409376      4.35485002    -13.90478647
  H     17.56443522      5.24683164    -13.18639603
  H     15.23317153      4.58583128    -14.37685017
          69
 Energy    -248.72237414639451     
  O     14.43600411      2.84559603    -10.01892066
  H     15.08677114      2.15602625     -9.84127693
  H     13.15346510      7.96926709    -10.03070006
  O     13.17162750      2.01528298    -12.36742368
  H     13.95827488      2.56067544    -10.81256162
  H     12.95114318      6.55733139    -11.79134252
  O     15.83460463      5.19885201    -14.46191589
  H     12.34966181      2.49482338    -12.19609061
  H     12.92441994      6.06710597    -13.26257916
  O     10.13353837      7.19251657    -11.05690300
  H     13.55385679      2.39454253    -13.17029584
  H     13.44934056      4.13044040     -9.08008012
  O     14.90354052     -0.18395200    -12.27171990
  H     16.01432605      5.16115828    -13.51716678
  H     12.07540499      4.84826709     -8.92893231
  O     16.33678888      0.77596530    -10.16505216
  H     15.57942555      6.11453453    -14.64806713
  H     17.06962467      0.82774692    -14.99494384
  O     14.85412788      7.76588996    -14.77351122
  H      9.93577557      7.12549847    -11.99846999
  H     16.73137221      1.60837916    -13.70396749
  O     14.98723921      9.16241131    -12.25719227
  H     10.96728466      7.67781582    -10.98772750
  H      9.48968377      4.90259711     -8.95306348
  O      9.83174537      4.22508385    -14.26312402
  H     14.15511916      0.43009252    -12.27321663
  H     10.16336783      5.79680508    -10.02334619
  O     12.27616715      6.64532767    -14.89049249
  H     15.39853675      0.02640826    -13.07318989
  H     15.30468527      4.16263611    -10.95489505
  O     12.10726078      4.03260408    -16.00021576
  H     15.83325483      0.32398566    -10.86660598
  H     14.74265404      5.16375120    -11.96971986
  O     12.74550244      8.16469939    -10.88542334
  H     16.74084212      0.09709215     -9.63217340
  H     14.83953375      3.79270643    -14.70972805
  O     13.09451617      5.78559523    -12.35431253
  H     14.88049194      8.28425611    -13.96075646
  H     14.94506006      2.24993520    -14.80839425
  O     13.00922946      4.89797049     -8.69333091
  H     13.92650380      7.53662008    -14.91995357
  H     17.07180842      1.95732373    -11.49296889
  O     16.34907747      1.06565689    -14.41759990
  H     15.48991390      8.55192123    -11.68808971
  H     16.79562870      3.34370400    -12.10747887
  O     10.26089265      4.97458004     -9.50852288
  H     15.45620012      9.99302690    -12.25040992
  H     11.85239950      4.50566089    -12.02924182
  O     15.57593980      4.80600026    -11.62359770
  H     10.20362066      3.96681087    -13.40732156
  H     10.76338045      4.05025386    -11.03210745
  O     14.31347257      2.97793847    -14.77030439
  H     10.51901717      4.03773022    -14.91384565
  H     14.11826965      7.63393107     -7.65758777
  O     17.23541972      2.50266452    -12.27329848
  H     11.38286642      6.86781900    -14.59885407
  H     13.73448422      6.44071361     -8.56606083
  O     11.18761361      3.81809888    -11.86600976
  H     12.21892674      5.80772938    -15.36856090
  H     16.10838771      6.46540550    -10.89859699
  O     14.10083700      7.34429450     -8.56536346
  H     12.12205285      3.79600634    -16.92455227
  H     15.55338267      7.37017478     -9.78564113
  O     16.12972909      7.36972527    -10.56094495
  H     12.87236566      3.59409304    -15.59159843
  H      8.86720558      7.27602296    -14.28615645
  O      9.64238873      6.90082273    -13.87611591
  H     13.40471714      8.64422828    -11.40389163
  H      9.60151400      5.93832214    -14.02256874
          69
 Energy    -248.72221481016939     
  O      1.60588608      1.49484362     -5.93114540
  H      1.38508533      0.64317818     -6.29875400
  H      8.36705718      6.76267577     -3.56827689
  O      0.30199836      7.83293049     -6.35846258
  H      2.25129189      1.90112672     -6.53749154
  H      2.67985082      6.83429172     -1.53171776
  O      3.88614744      9.40023147     -4.09756896
  H      0.59386680      7.44631826     -5.51909666
  H      4.01341216      6.65388467     -2.28698351
  O      3.70726004      5.94207046     -5.64657616
  H      0.08447341      7.08257243     -6.92309264
  H      6.05898233      7.97268769     -6.02364807
  O      7.34256719      5.17056076     -6.55015015
  H      3.25613595      9.39891277     -4.83015897
  H      5.22239257      8.50097599     -4.78309138
  O      3.37866074      2.67762167     -7.61613862
  H      3.54388881      8.83051270     -3.39868020
  H      6.19900341      5.62468613     -2.66912464
  O     -0.20268813      3.67029130     -5.67521831
  H      4.39681347      6.59315282     -5.47082574
  H      5.10910503      4.67452591     -3.15245980
  O     -0.07584499      5.39216990     -7.76386000
  H      2.90673506      6.20744715     -5.17271322
  H      7.08493144      8.15320847     -8.40389186
  O      0.53988681      4.29427469     -2.99027260
  H      7.08976702      5.96960752     -7.02808415
  H      5.62619383      7.73604977     -8.10688194
  O      3.49475434      3.65378537     -0.98823372
  H      7.51300526      5.43810704     -5.63955132
  H      3.43907727      8.44283994     -7.85157826
  O      6.12531324      2.76193096     -6.78051111
  H      4.32453839      2.68163331     -7.42878593
  H      3.49204404      7.05819014     -8.54299402
  O      7.60485794      6.25415440     -3.83406990
  H      3.16323182      3.56050174     -7.94368776
  H      4.29649778      4.42243264     -5.00043552
  O      3.25546481      7.24739130     -2.18849912
  H      0.35815552      2.89236587     -5.79062536
  H      5.23384860      3.20824959     -5.20324361
  O      5.81359021      7.80516840     -5.10541691
  H     -0.16376366      3.88843958     -4.73691135
  H      2.26000467      4.83662518     -0.64187468
  O      5.32678606      5.28944366     -2.43479868
  H     -0.77394254      5.17110889     -8.37464353
  H      1.25564745      5.56579944      0.28384685
  O      6.54441911      7.66674783     -7.78767644
  H     -0.16183058      4.78271623     -7.00903043
  H      3.33150148      2.81862978     -3.78895121
  O      3.95383297      7.90317971     -8.46439363
  H      1.22681256      3.61868056     -3.09656632
  H      2.15827930      1.90951739     -4.15025853
  O      4.68468696      3.65511531     -4.55028614
  H      0.69241561      4.70275514     -2.12997321
  H      2.04851889      6.93259412     -3.47548823
  O      1.58153653      5.53596499     -0.61178420
  H      3.21438065      3.04510570     -1.68300458
  H      1.07369020      5.79437342     -3.85755278
  O      2.54460356      2.39523679     -3.41161326
  H      4.24294563      4.15242180     -1.34341871
  H      3.07424757      5.57106664     -7.28059276
  O      1.46988280      6.61388564     -4.18123678
  H      6.78900442      2.10425123     -6.97022293
  H      1.75861295      5.40081971     -8.09550916
  O      2.72200344      5.37641721     -8.16400190
  H      6.58074943      3.62288232     -6.77324762
  H      2.15410630     10.33541839     -6.85305965
  O      2.43011689      9.46141329     -6.58670686
  H      6.97402601      6.88268376     -4.23211056
  H      1.62430086      8.91550983     -6.55282102
          69
 Energy    -248.72201081501851     
  O     13.89908565     11.10027132    -11.08107773
  H     14.34394901     10.74283477    -10.30460510
  H     18.31733659     10.25377703    -10.84439939
  O     15.48778456      7.23661779    -15.41760794
  H     14.60350027     11.26133450    -11.72461698
  H     15.75882876      8.03672303    -13.79149511
  O     15.02193271      5.02904702    -11.39399781
  H     14.56964937      7.26885143    -15.71539647
  H     17.05916590      8.02310977    -12.95904322
  O     19.09259169      7.13225643    -10.29837803
  H     15.99616254      7.89004626    -15.91547455
  H     10.99738814     10.60341291    -12.17756586
  O     15.11743518     10.98021246    -15.50645282
  H     14.10159422      4.75261853    -11.47430580
  H     12.49548328     10.42374181    -11.84714518
  O     14.87395307      7.65470744    -10.64020920
  H     15.00101123      5.93303529    -11.04304042
  H     13.93680999      4.51355664    -14.53842970
  O     19.00405842      9.64461270    -14.56504474
  H     18.57429006      6.31205868    -10.38119740
  H     12.64554441      4.64413183    -13.70889148
  O     12.74559059      7.01632391    -15.98338790
  H     19.85109255      6.91995480     -9.75992515
  H     12.62651108      8.76892813    -15.22514812
  O     18.78265497      7.29999369    -13.08179249
  H     15.42564729     11.22521011    -14.62474202
  H     12.37613753      9.76504733    -14.06685593
  O     16.93637723      9.33798653    -16.56211290
  H     14.24586750     10.57565763    -15.37906752
  H     16.81223501      4.77518611    -10.89527981
  O     18.48039566      4.53620250    -13.60641820
  H     15.04098167      8.33154828     -9.97544071
  H     18.10527196      4.57056254    -11.70191532
  O     17.98446970      9.75530117    -10.08861306
  H     15.30472784      7.95243812    -11.45663783
  H     15.54415974      4.97605166    -13.16418762
  O     16.14917039      8.34612769    -12.96400187
  H     18.33946179      9.56824491    -15.25925371
  H     15.74783317      5.67556588    -14.55686563
  O     11.73866776     10.01763176    -12.30709059
  H     19.04907519      8.77663749    -14.13944940
  H     12.14041225      5.68637191    -11.74775027
  O     12.99013396      4.68281547    -14.61073086
  H     12.74247783      6.17938467    -15.48713259
  H     11.53709602      4.30100591    -11.40737913
  O     12.75304324      9.68403489    -14.95113210
  H     12.27427122      6.85215736    -16.79625152
  H     19.45964395     11.95642895    -12.43354516
  O     17.77543189      4.81507448    -10.82864269
  H     19.01798527      7.30216862    -12.14483169
  H     18.92335420     10.72196235    -13.19459645
  O     15.82419786      4.83453237    -14.08100202
  H     18.74655152      6.37488000    -13.35437045
  H     11.91421635      8.22937401    -11.77548242
  O     12.24089687      4.72605531    -11.88917998
  H     17.12819575      9.58119554    -17.46358660
  H     13.09691741      7.52172517    -11.09824796
  O     18.81413458     11.25634726    -12.38758753
  H     16.28052407      9.98081835    -16.22973260
  H     16.40123868      9.88687937     -9.39501729
  O     12.20660612      7.37256881    -11.44542838
  H     17.54129373      4.54896913    -13.86226015
  H     15.56182188     10.05796867     -8.10677108
  O     15.49478125      9.86463584     -9.03759961
  H     18.90306490      3.86761088    -14.13833840
  H     16.03887886     10.16721415    -12.90218340
  O     16.03492410     11.13628302    -12.86262759
  H     18.36510910      8.87023465    -10.14034470
  H     16.94492166     11.38889802    -12.67282614
          69
 Energy    -248.72196398991656     
  O      9.59876756     10.53194179    -11.07871675
  H      9.89972834      9.76038343    -11.59532136
  H     13.96453640     14.33263714    -15.21547456
  O     14.49120934     10.64643603    -12.71362792
  H      8.70682856     10.34621656    -10.79950953
  H     18.18040649     11.66338808    -17.06518673
  O     17.28109269     13.26858067    -14.00268623
  H     15.42932231     10.78843743    -12.52796182
  H     16.78815860     11.53517051    -16.40515664
  O     15.01909708      6.61626844    -12.12114596
  H     14.04425943     11.49299970    -12.59556417
  H     13.03066159     11.94999096     -9.56818762
  O     10.82303791     12.05246344    -13.11094224
  H     17.57904711     12.77641310    -14.77714370
  H     13.20777828     13.33697300     -8.89873844
  O     12.59219581     15.02183437    -16.27182491
  H     16.40179279     13.60225785    -14.22415179
  H     17.60746305      9.95952073    -13.43631366
  O     15.01429058     11.65749100    -16.40776519
  H     15.35191212      6.84710839    -13.00064979
  H     17.81527481     10.07471637    -14.95793393
  O     13.24655281     13.10893423    -12.35995561
  H     15.74917752      6.19902722    -11.66888273
  H     15.35486791     12.24434352     -9.60680045
  O     14.06883505      9.40981643    -15.09007340
  H     11.04756085     11.32968549    -13.71640514
  H     16.42747097     11.51663565     -8.78830691
  O     12.08797022     10.52226150     -9.67991855
  H     10.31754934     11.66065739    -12.38905601
  H     12.28436114      9.72303534    -15.05828859
  O     10.60702156     11.42471905    -17.22701135
  H     11.78985592     14.59701903    -15.91796064
  H     11.05939752     10.38465917    -15.75281270
  O     14.57156068     13.80412052    -14.68279880
  H     12.36205635     15.92595808    -16.46757598
  H     16.64985196      8.09883300    -14.49828229
  O     17.74450513     11.48603820    -16.23574498
  H     14.67786441     10.83547584    -16.02463806
  H     16.39283128      6.79549000    -15.29589436
  O     13.55916057     12.76955474     -9.57989849
  H     14.85436143     12.36652741    -15.76624087
  H     12.83799159     13.57136790    -17.52003438
  O     17.69702870      9.43594702    -14.24456633
  H     13.34155108     13.13051135    -11.40026287
  H     13.68171657     12.28499703    -17.55774629
  O     16.27253701     11.93822511     -9.63107321
  H     12.34909272     12.80789195    -12.56770969
  H     10.83287297      8.90912806    -13.46572396
  O     11.36460529      9.99208906    -14.92566762
  H     14.22559271      9.85941569    -14.24263366
  H     11.55418218      8.44997823    -12.17735959
  O     16.00069641      7.38903776    -14.66109138
  H     14.62144737      8.62107765    -15.07530704
  H     17.23982174     12.02028062    -12.71121745
  O     12.89527233     12.70156965    -17.93485059
  H     11.19210029     10.57084589    -10.03407856
  H     16.95551395     11.49438475    -11.26083946
  O     10.67985368      8.56962372    -12.57469611
  H     12.50356832      9.76691990    -10.11857245
  H     10.32324381     12.91865046    -16.03823692
  O     17.13041835     11.22172679    -12.17119503
  H     11.42934941     11.83380523    -17.55141282
  H     10.45989222     13.21470459    -14.53476109
  O     10.42488798     13.63791773    -15.40247290
  H     10.08606796     11.20594216    -17.99485525
  H     13.66849093      9.33131542    -11.80378721
  O     13.22258187      8.59322964    -11.36275212
  H     14.12784527     13.63694456    -13.83893159
  H     13.78028583      7.82056091    -11.51957525
          69
 Energy    -248.72189797063373     
  O     17.53895199      8.19907064    -10.90781338
  H     17.30969055      7.49409964    -10.29038151
  H     15.36831161      4.68278045    -13.01285443
  O     11.35850887      8.82300298    -10.95674811
  H     17.87087284      7.74629806    -11.69103104
  H     13.57460288      7.98459837    -13.17078363
  O     12.02508946      4.61451175    -12.57336020
  H     11.33579608      7.90256554    -10.66738474
  H     15.11960998      8.00399760    -13.43442918
  O     13.56099608      5.75068721    -15.97471053
  H     11.44975255      8.79864046    -11.91963356
  H     16.43691426      9.65964178    -11.18627586
  O     15.44843267      3.62499542     -8.17869592
  H     11.94337175      5.16763652    -11.78091862
  H     15.06956904     10.34643373    -10.88873125
  O     13.47537223     10.11128551     -9.82620523
  H     12.94225525      4.67859358    -12.88527540
  H     12.32106829      1.49633475    -11.54657325
  O     16.86531413      4.60564671    -11.96385940
  H     12.63986414      5.83859603    -15.70284202
  H     12.44685192      3.01506768    -11.78653735
  O     14.88236462      7.92985187    -16.85862242
  H     14.01317256      5.33651236    -15.22698585
  H     14.11785111      8.37358197     -9.83697170
  O     12.63731985      3.81471973     -8.83442876
  H     15.81101871      3.08419341     -7.48187812
  H     14.47243135      7.56380018    -11.10615781
  O     13.46426135      9.97110466    -15.41155841
  H     15.54952614      3.12072954     -9.00645676
  H     11.25633353      5.48035805    -13.94827461
  O     11.91661412      8.52927901    -13.68458735
  H     13.18555647     10.67739832     -9.11603165
  H     10.11954480      5.77656035    -14.95351193
  O     14.57845590      4.97575706    -13.48183772
  H     12.67200548      9.74156561    -10.23522769
  H     12.05128675      5.33954902     -9.64240166
  O     14.42443455      7.61844646    -12.89049907
  H     16.73879254      5.04369085    -11.10812694
  H     12.80091334      6.56855390    -10.18835286
  O     15.85177461     10.38484773    -11.44952649
  H     17.41211882      5.20601911    -12.48461907
  H     16.09937923      3.02633552    -11.19733553
  O     12.81278584      2.27099533    -11.28371673
  H     15.02380238      7.86074641    -17.79877430
  H     14.72010075      2.34534894    -10.96625946
  O     14.34410106      7.48893269    -10.14748191
  H     14.39720142      7.12980802    -16.58748013
  H     15.77891370     10.84107022    -13.08477605
  O     11.00636127      6.03023947    -14.70995410
  H     13.53688794      3.82486167     -8.48560720
  H     16.13713294     11.89446111    -14.15980934
  O     11.95970831      6.09177912    -10.24506158
  H     12.65047490      3.17328251     -9.55490002
  H     16.19221032      5.19324786     -8.92990943
  O     15.61551122      2.42630359    -10.61539810
  H     14.17529317     10.43256960    -14.94951547
  H     15.66704286      6.45014081     -9.66404308
  O     15.77452524     11.02076485    -14.04395258
  H     13.89604272      9.34451277    -16.00515195
  H     19.09154908      6.76680568    -13.70225071
  O     16.45720958      5.90346021     -9.52577500
  H     11.53597759      7.76286912    -14.12882344
  H     17.65019754      7.30225138    -13.84387918
  O     18.22052521      6.72017166    -13.31475545
  H     12.32160427      9.10560241    -14.35105972
  H     16.41279371      9.36527060    -14.49272854
  O     16.52193683      8.41790125    -14.65438688
  H     14.50575577      5.92446575    -13.28709030
  H     16.04622838      8.21248594    -15.47059763
          69
 Energy    -248.72174545591383     
  O     13.08370278      3.31873269    -11.31181606
  H     12.25798006      2.87159972    -11.09963892
  H      9.96864751      3.61142850    -11.40145143
  O     14.70958218      3.52708021     -9.11438194
  H     12.85310388      4.03546733    -11.91690379
  H      8.46208288      7.18353596     -9.45344614
  O      8.36523547      6.35170017    -13.41364257
  H     14.18767918      3.49013787     -9.93517252
  H      7.95385798      8.38154597    -10.28252135
  O     14.75739575      8.37421577     -9.05307317
  H     15.46118345      2.95446276     -9.24613703
  H     11.91755148      6.18002778     -9.49583421
  O     12.45308299      6.50697876     -6.40474602
  H      8.66467059      5.55638787    -12.95524040
  H     10.51395283      5.65382173     -9.03553364
  O     12.14738177      3.17247700     -7.97564917
  H      9.13553283      6.66898612    -13.90184497
  H      9.52831636      6.33857052     -4.38971993
  O     12.11441912      5.58272163    -12.73243726
  H     15.61048357      8.78279900     -9.16900563
  H      9.69574430      6.90154324     -5.81750158
  O     10.91342509      9.22128910    -10.03289346
  H     14.90491940      7.54225586     -8.56622040
  H      9.64310046      2.37921474     -9.67454565
  O      7.43845016      8.53980982    -12.08576265
  H     12.08310889      6.23545135     -7.26165888
  H     11.13032813      2.52502914     -9.38443871
  O      8.20789467      2.92943232     -8.45673047
  H     11.74709438      6.34736918     -5.76976219
  H     13.19865698      9.04713654     -8.07167631
  O     10.09380444      9.42793435    -12.72025764
  H     11.90126358      4.05595903     -8.29781831
  H     12.38323326      8.23403015     -7.07607996
  O      9.72925029      4.38937542    -11.92194840
  H     13.08978518      3.09725950     -8.15818065
  H     14.16318619      6.07509759     -7.11138875
  O      8.40389252      8.15147131     -9.46041311
  H     12.42192483      6.18741693    -12.03953226
  H     14.85039307      5.17946590     -8.18125951
  O     11.45234749      5.68191840     -8.81288602
  H     11.76721085      6.14453547    -13.43609841
  H      8.44564314      4.65059009     -9.12861598
  O      9.90173830      6.14159259     -5.24523753
  H     11.38500453      9.29303425     -9.19271787
  H      9.04270643      5.16774007    -10.45885565
  O     10.50493584      2.38351372    -10.10984600
  H     10.03835904      8.86015346     -9.82997276
  H     13.54334123      7.62280723    -10.24964971
  O     12.34548974      9.03422771     -7.61978683
  H      7.68875792      7.71653132    -12.54249169
  H     12.07450682      7.97157352    -10.58781208
  O     14.90344041      6.03135712     -7.73140748
  H      6.59971404      8.81104146    -12.44939494
  H      9.86194555      4.38886726     -5.98503080
  O      8.77166211      5.44387680     -9.57079873
  H      8.73502039      3.09127387     -7.65243454
  H     10.71579445      3.32771273     -6.73598086
  O     12.75418554      7.28954679    -10.69382146
  H      7.43459635      2.44159548     -8.18809623
  H     11.02277159      7.79952911    -15.28550910
  O      9.83290399      3.51313149     -6.38894039
  H      9.15386288      9.27915325    -12.55672162
  H     10.64108755      8.19143002    -13.83866185
  O     10.82272607      7.43635962    -14.42681065
  H     10.49063576      9.53165649    -11.84613969
  H     10.37081105      8.76628752     -7.05415983
  O      9.53642404      8.32776061     -6.85856456
  H     10.55899913      4.79552384    -12.21159758
  H      9.02337270      8.34968192     -7.67668027
          69
 Energy    -248.72174058298299     
  O     15.71221879      9.68908600    -16.27581291
  H     16.16283713      9.31228511    -15.50905990
  H     12.70158054     11.23027278    -15.29552550
  O     15.54815145     13.41273917    -15.31413157
  H     14.98054793     10.21737318    -15.93416341
  H     17.35031574     10.25870295    -18.91116249
  O     19.25042227     10.17688642    -10.71593252
  H     14.73432154     12.89660497    -15.32649415
  H     16.74202670     10.37307764    -17.49427664
  O     20.24893924     12.58561875    -11.78461575
  H     16.20912407     12.80192940    -14.95241940
  H     16.27004992     12.95108775    -11.14172560
  O     14.18485855     10.80578777    -12.56046218
  H     19.64946747     11.03666995    -10.89977289
  H     15.11649967     13.20969453    -10.14747217
  O     16.61915718     10.01434620     -9.94028371
  H     19.46263522      9.63031478    -11.48083483
  H     19.21314656     16.05084597    -13.71190342
  O     17.10844407      8.95235935    -13.90022802
  H     20.83216642     13.34948893    -11.69230547
  H     20.59370264     16.15955013    -14.38933774
  O     16.77956941     13.61247319    -17.86209400
  H     20.49989690     12.13575912    -12.60304298
  H     20.49920403     11.27695873    -14.91383719
  O     19.13032254     14.21174144    -16.60500617
  H     14.57211809     11.44075976    -11.94571058
  H     21.72682651     11.93394895    -14.22994894
  O     21.80057593     14.89621949    -11.88659715
  H     14.50895987      9.93869844    -12.29030854
  H     15.88861392      8.90936794    -11.01175750
  O     19.21575255     11.48725947    -16.12694634
  H     17.56918203     10.07326634    -10.12594964
  H     15.08761767      7.61476182    -11.30447035
  O     13.63730528     11.33954833    -15.14954982
  H     16.25753768     10.89960877    -10.06003700
  H     20.60281090     15.10316005    -16.31282851
  O     17.36503392     10.78774446    -18.11831342
  H     16.58022760      8.65957994    -13.14537724
  H     21.75658878     16.04868391    -16.72181479
  O     15.50163821     12.54194138    -10.70950955
  H     18.04047550      8.82335418    -13.68428537
  H     16.75376369     14.77960291    -14.61748861
  O     20.13781338     16.26387899    -13.54308670
  H     16.23251756     13.60862175    -17.06455853
  H     18.21049588     14.80595537    -15.07988244
  O     21.07219914     11.22651854    -14.13428209
  H     16.92437746     12.68276766    -18.07730425
  H     22.49740658     13.97367011    -13.44974710
  O     15.46609766      8.38502587    -11.71803809
  H     18.34301597     14.19667069    -17.16848657
  H     22.27981540     14.17066168    -14.95328713
  O     21.40513310     15.54925837    -15.98940362
  H     19.32049923     13.28157409    -16.42092587
  H     20.36968819      9.67169529    -13.54272567
  O     17.63229487     15.08356624    -14.35510117
  H     22.24218352     15.48432407    -11.28047105
  H     20.49633016      8.15903504    -13.27586280
  O     22.57619988     13.52495568    -14.30040645
  H     21.18293200     15.43884861    -12.40930497
  H     17.17504440     10.77220229    -13.92915182
  O     19.88715749      8.89214141    -13.22133409
  H     18.72818131     11.17112536    -16.89688909
  H     17.50146426     12.17327454    -13.29993408
  O     17.38599836     11.69355088    -14.12733898
  H     18.56344211     11.56580594    -15.41078090
  H     17.68948359     14.15180114    -12.76015433
  O     17.67906069     13.52046030    -12.02798455
  H     13.79688202     11.15458112    -14.20598835
  H     18.59261349     13.25013178    -11.85684782
          69
 Energy    -248.72169372609665     
  O     14.00921135      4.37106646    -10.42000515
  H     14.26228358      5.01383673     -9.74673307
  H     17.88894383      8.80616730    -12.14047455
  O     16.27446791     11.31495557    -10.93718177
  H     14.77312800      4.27138510    -11.00203030
  H     14.03512339      8.18916880    -11.41313371
  O     10.60318630      7.81804641    -13.88956151
  H     16.13738044     11.71022660    -11.80949453
  H     15.36987997      8.45137977    -12.17309662
  O     18.76064559      4.27411128    -13.39401668
  H     15.40948467     11.29164250    -10.51220395
  H     10.98028878      3.87653079    -11.03202525
  O     11.94261436      5.46938586    -14.02051689
  H      9.76753053      7.75563390    -14.34380362
  H     12.39753760      4.49310625    -11.01746536
  O     17.08879896      6.49532427    -10.20527842
  H     11.05931650      6.96667921    -14.01959258
  H     19.69230219      7.57701678    -12.26421681
  O     13.53047079     11.17957022     -9.95800656
  H     19.24393823      3.61599151    -13.88558081
  H     20.37304915      8.86396305    -12.79298243
  O     18.55996958      6.57514882    -14.81186217
  H     18.68652439      5.05816856    -13.96850900
  H     14.53552642      6.74145168    -13.28701509
  O     15.74017174     12.25770900    -13.55699177
  H     12.90320074      5.55904907    -14.07332767
  H     15.25659488      5.37859654    -13.32808237
  O     13.09244135     11.91370224    -12.52302403
  H     11.76293145      5.06918308    -13.15959443
  H     15.62853448      9.25563344    -15.37238005
  O     12.78302685      9.56268350    -13.98747743
  H     17.05371469      7.35217264    -10.65727572
  H     14.33019442      9.95474427    -14.93094820
  O     17.04435572      8.82464766    -11.67699369
  H     16.38119537      6.49309900     -9.55071472
  H     15.72437380      7.15253528    -16.65619536
  O     14.44762338      8.18098529    -12.28492333
  H     13.19185957     11.85241363     -9.37274407
  H     15.53361902      6.86120494    -15.15186947
  O     11.49144097      4.61418618    -11.35366986
  H     13.29726730     11.45562632    -10.86291954
  H     19.45493357      5.36256058    -11.94979135
  O     19.56561343      8.35868543    -12.83269999
  H     18.91226658      7.28075305    -14.25528994
  H     18.85449588      6.15315581    -10.76987638
  O     14.70799179      5.97358449    -13.85498854
  H     17.73844588      6.90854953    -15.19205182
  H     11.14778548      6.45509263    -11.09072189
  O     15.25623900     10.11818185    -15.16120497
  H     16.10762498     12.96462680    -14.08063731
  H     10.83418054      7.68264913    -11.95938299
  O     16.02878294      7.40552618    -15.78720037
  H     15.65068667     11.49033650    -14.14994562
  H     17.10813678      4.29242646    -12.52531330
  O     19.63565362      6.08556181    -11.33627011
  H     12.82286596     11.15518768    -13.05969507
  H     16.57823710      5.24184080    -11.42922337
  O     11.06510912      7.41746692    -11.06190500
  H     13.93838061     12.19667093    -12.89139132
  H     14.64270413      6.46737405     -7.66331410
  O     16.30539885      4.56088024    -12.06250427
  H     13.37042861      9.09126108    -13.37519592
  H     14.21279577      7.17990965     -8.96739827
  O     14.76520983      6.46355884     -8.60913962
  H     11.97639353      9.03873037    -14.04960998
  H     12.39588029      8.11953983    -10.15433882
  O     13.24430974      8.39738731     -9.77192648
  H     16.88347288      9.72401122    -11.35306023
  H     13.28920168      9.36194672     -9.76815818
          69
 Energy    -248.72146846312685     
  O     17.28429222      3.99036414    -15.31332808
  H     16.96942204      3.37599532    -14.63942811
  H     19.57694957      6.41513102    -13.62725514
  O     18.26288758      9.12861468    -11.22098723
  H     16.59252420      4.66045766    -15.39055897
  H     14.98985924     10.21053409    -15.42119210
  O     12.88379138     10.63611117    -11.14143344
  H     18.76075212      8.62229325    -11.87396166
  H     16.09683811      9.19814806    -15.76253394
  O     17.09815767      8.09572525    -14.61312470
  H     18.23497843      8.59371760    -10.41604987
  H     13.22328114      7.58106729    -17.42819779
  O     19.79399865      4.78266034    -14.58164213
  H     13.23714462     10.85811087    -12.01087400
  H     14.17476862      8.36787438    -16.49475078
  O     11.65118823      8.11158567    -11.80314863
  H     12.38294634      9.82073774    -11.25947479
  H     15.15273266      8.23826230    -11.85409570
  O     17.85565979      7.39580354     -9.03121949
  H     16.55419685      8.36963467    -13.85768116
  H     16.51505251      9.00860947    -11.87563255
  O     14.08512278      7.04590396    -10.95668789
  H     17.92929186      7.78748369    -14.23265180
  H     16.30844259      1.59432031    -12.81346050
  O     15.83867907     12.89901701    -13.03549779
  H     18.91484129      4.52740296    -14.91434705
  H     17.36600202      2.71319951    -12.65747733
  O     15.33359306      8.21180492     -8.76012701
  H     20.42185514      4.53749373    -15.25613891
  H     14.49234635     11.57557280     -8.59717093
  O     15.35499902      6.01906863    -15.06916879
  H     10.72444537      7.90495762    -11.71986700
  H     14.09309779     10.85401950     -9.90350703
  O     19.18827995      7.10064142    -13.06980742
  H     11.81119623      8.32699224    -12.74049680
  H     16.80577293      5.53660368    -11.55534722
  O     15.32048005      9.64455692    -16.12860775
  H     18.28593102      7.27488631     -8.18975972
  H     17.67309219      6.16353498    -10.40104507
  O     13.54387215      7.62564141    -16.53130929
  H     16.94254867      7.68569358     -8.84906935
  H     14.76855173     10.10307699    -13.20236721
  O     15.70380216      8.83817359    -12.37131152
  H     14.33795106      6.24562693    -11.43663990
  H     14.74816310     11.61823762    -13.54848405
  O     16.46455727      2.52107531    -12.97267582
  H     13.19374157      7.30084424    -11.22883647
  H     17.60155861     10.90473792    -10.98267027
  O     14.80105036     10.94290847     -9.24130170
  H     16.31754154     12.51767426    -12.27964180
  H     16.32512228     11.42230350    -10.27993443
  O     17.70349935      5.65445368    -11.21985280
  H     16.29461600     13.70501082    -13.26017738
  H     15.51378345      4.10570536    -12.55898837
  O     14.26799430     10.78613092    -13.67802717
  H     15.14579305      9.15371975     -8.85748478
  H     15.20576070      5.39119150    -13.36136622
  O     17.02903567     11.67565118    -10.89071447
  H     14.80808829      7.75364269     -9.43082192
  H     19.39884102      3.73908114    -12.96986734
  O     15.23482639      5.02506402    -12.46521236
  H     14.64386934      6.40896132    -15.58924071
  H     18.60745885      4.12642672    -11.71226939
  O     18.93792523      3.36396766    -12.20997451
  H     16.02148148      6.71478268    -14.96122277
  H     12.87578490      9.61965218    -14.19688281
  O     12.27538919      8.86982538    -14.30341504
  H     18.66208477      6.61676929    -12.41435253
  H     12.59769074      8.37341059    -15.06419085
          69
 Energy    -248.72119094281680     
  O     12.44827471     11.21187387    -14.33707768
  H     12.60537807     10.34459298    -14.73603423
  H     19.72736995      8.01821050    -14.12951065
  O     15.86637477      6.52928013    -12.58292431
  H     13.15146302     11.78101130    -14.67062346
  H     15.13799013     10.10515385    -17.52192741
  O     18.57597302     10.90900428    -12.39745228
  H     16.76189691      6.39641486    -12.24762747
  H     16.49118569     10.35783088    -16.84027963
  O     17.77179176      9.28770991    -16.08079096
  H     15.34371065      6.89287192    -11.85544894
  H     16.42715931      8.85947325    -14.86055345
  O     11.82640146      6.58745270    -14.08434177
  H     17.67368067     11.17165183    -12.61550155
  H     15.86294193      7.98064336    -13.68977084
  O     15.95308468      9.43468876     -8.74401407
  H     18.50814587     10.28230933    -11.66116446
  H     12.04191778     10.96746450    -12.68353733
  O     14.44222156      7.82828756    -10.57337359
  H     17.99620860      8.40273921    -16.39646117
  H     11.10272052     11.30910674    -11.50185928
  O     15.87233356     11.28565456    -13.10087671
  H     18.52835052      9.59620217    -15.56506534
  H     17.51838626      9.06469878     -9.80517644
  O     15.71459647      6.33749795    -16.94243018
  H     11.80170517      7.01746417    -13.21104646
  H     18.29482527      8.10359239    -10.74740693
  O     18.35019146      6.59851251    -16.60760356
  H     10.98892713      6.14581732    -14.19565362
  H     12.67214793      7.72014797    -11.21532102
  O     14.38787439      5.41923757    -14.69677745
  H     15.97753566      9.92683265     -7.92719975
  H     11.76647645      8.86169709    -11.72050933
  O     19.48046027      7.09030393    -14.02792842
  H     15.46249407      9.98280756     -9.37952023
  H     20.76841279     10.33945791    -14.54223342
  O     15.68436233     10.80073640    -17.13833591
  H     14.42640092      8.74590247    -10.88725890
  H     19.48632669     10.27850359    -13.67598910
  O     15.71495124      8.77871447    -14.21303422
  H     14.89421753      7.89554534     -9.72724409
  H     18.99859676      5.69494017    -11.26074902
  O     11.84900530     10.76965079    -11.74859460
  H     15.53093290     11.86394822    -13.79223394
  H     18.88463337      6.63545707    -12.48376068
  O     18.25122985      9.01264398    -10.42867985
  H     15.81814482     10.38398034    -13.45539250
  H     13.38007118      8.46698841    -18.52130148
  O     11.87055508      7.90225596    -11.72207292
  H     15.21453095      5.97600382    -16.19500979
  H     13.65399664      8.60858902    -17.00545822
  O     19.94649393      9.87044656    -14.43342242
  H     15.18235007      7.03996866    -17.32873837
  H     15.01343704     10.93099188    -11.57619707
  O     18.47900226      6.40515862    -11.62739483
  H     18.79881493      6.13454592    -17.30896269
  H     13.56623709     10.75664263    -11.04008601
  O     14.08007682      8.54852680    -17.87842836
  H     17.39686433      6.43057499    -16.72812301
  H     14.84123333     13.46409643    -15.69409602
  O     14.49526970     10.60522399    -10.82601479
  H     14.92686485      5.67318177    -13.93505439
  H     15.06816667     11.96831924    -16.00959061
  O     14.73986127     12.58784246    -15.33281302
  H     13.48953374      5.69365451    -14.48263077
  H     14.05448594      8.70124812    -14.91587896
  O     13.17132939      8.70529563    -15.31698913
  H     19.10309645      6.81796863    -14.87310266
  H     12.67460376      7.96657015    -14.94436153
          69
 Energy    -248.72115101378847     
  O     17.76455500      8.80271029    -12.73663021
  H     16.98668496      9.38327815    -12.78960461
  H     12.57595450     11.31666622    -16.37719945
  O     12.03207874     12.01182049    -11.44537357
  H     18.03661361      8.82053030    -11.80817541
  H     15.35659055      9.33845645     -5.86334595
  O     11.41622062      9.95536592    -13.30717355
  H     12.58123791     12.46467418    -12.11201218
  H     15.43937807      8.57117562     -7.19460585
  O     15.99118841      6.69617061    -12.00193575
  H     11.49817055     12.68069018    -11.02594463
  H     13.26158081     10.85999249    -10.70360785
  O     18.35374277      9.07510219    -10.01111995
  H     11.80621002     10.34358861    -14.09919304
  H     13.76198116      9.37863554    -10.48478127
  O     20.18583583     11.13835060    -10.58116985
  H     11.49867656     10.62966305    -12.62190520
  H     17.01854949     12.77552454    -13.82312978
  O     16.33844249     10.70107644     -9.05525083
  H     16.45846768      6.40358296    -11.20922903
  H     16.83962379     12.89528613    -12.27239803
  O     11.70658486      7.33819068    -12.67719449
  H     16.57700019      7.34744874    -12.40813803
  H     17.86406994      7.37568827     -9.66728673
  O     17.40120309      9.55188788    -15.57784293
  H     19.09865375      9.68393996    -10.08843655
  H     18.16636948      5.91609967     -9.25881144
  O     14.07024778      6.69239254    -14.16562511
  H     17.61420168      9.60212908     -9.66994235
  H     14.95981446     10.28805315    -12.00679491
  O     14.66290829      9.18769606    -15.14543334
  H     21.04808623     11.47160037    -10.34891508
  H     15.78534168     11.23009164    -12.92965485
  O     12.84578857     11.17979509    -15.47271762
  H     20.16664345     11.05318766    -11.55144537
  H     19.18965852     10.01102294    -13.14298339
  O     15.73808382      9.37493760     -6.73591402
  H     15.49647994     10.61192075     -9.52404149
  H     19.40948547     11.34406779    -13.86708297
  O     14.02187536     10.31069036    -10.47779619
  H     16.18858990     10.36316474     -8.16084834
  H     17.90645705     11.23574256    -15.38902533
  O     16.36861114     12.90357551    -13.12155762
  H     11.57531274      8.27180043    -12.92191213
  H     18.49859049     12.54963973    -15.94976727
  O     17.47881686      6.48638178     -9.59401453
  H     10.85372541      6.91585687    -12.73357791
  H     14.44709854      7.30530310    -11.16632630
  O     15.50562444     10.31330845    -12.80181631
  H     17.69647820      9.04072475    -14.81767375
  H     12.90725873      7.43170134    -11.27583115
  O     19.81089042     10.74581560    -13.22638678
  H     16.44797296      9.39518553    -15.63226573
  H     18.54578703     12.23492866    -10.65584383
  O     18.20547705     12.12970974    -15.14515206
  H     13.23036780      6.81191666    -13.70402966
  H     17.14607026     12.05679286    -10.06265483
  O     13.65560947      7.58719343    -10.68610804
  H     14.72416550      6.49456372    -13.48446199
  H     13.38123285     12.51890479    -14.18424137
  O     17.64549416     12.57203317    -10.71079547
  H     14.91180607      9.59449228    -14.29925517
  H     14.51474424     13.16021520    -13.33865128
  O     13.55549289     13.07089168    -13.41173220
  H     14.43107205      8.26944897    -14.94689523
  H     15.86172914      6.84406232     -8.61274081
  O     15.03995973      7.17159912     -8.22758084
  H     13.49390647     10.45440876    -15.47952379
  H     14.42558341      7.26842034     -8.96570574
          69
 Energy    -248.72096403593861     
  O     15.70606275     11.85794089    -15.56181473
  H     16.54255042     11.96938935    -15.09452077
  H     14.81056497      5.42189377    -18.01112516
  O     13.08476861      6.32867425    -15.22707184
  H     15.94154146     11.64280670    -16.47263623
  H     17.85520751      9.94698363    -17.50581869
  O     18.80940431      7.85867353    -12.61326367
  H     13.53602627      6.25109182    -14.37546101
  H     17.53494199      8.86019006    -16.47309364
  O     18.02165374      6.68627796    -18.25541772
  H     13.54738865      5.75590830    -15.84947451
  H     16.37697745      8.76821137    -14.60766536
  O     15.55770957      6.44314377    -19.34021488
  H     18.30864917      7.07278111    -12.87683869
  H     15.32479117      8.46028190    -15.71213758
  O     15.39673386      8.28313712     -9.85181718
  H     18.75659778      7.89079902    -11.64838310
  H     14.22359758     11.32084343    -14.78884462
  O     14.42919808      6.48748084    -12.74221847
  H     17.85631213      6.18672349    -17.44422472
  H     12.76964964     11.68754679    -14.41417748
  O     16.80412602      9.68626208    -13.04622548
  H     18.26067360      7.57676779    -17.96614779
  H     17.66121827      5.98150756    -10.12119490
  O     16.91553069      5.61846778    -15.88885666
  H     15.61474964      6.26097679    -20.27481257
  H     17.30430526      5.17406062    -11.37870507
  O     14.57144163      5.54703469    -10.07949008
  H     16.47220384      6.54344519    -19.01759090
  H     13.26753959      7.97181111    -15.84606455
  O     19.71742771      9.75206783    -14.67012099
  H     14.91455643      8.73467988    -10.55539284
  H     13.36691584      9.51986880    -15.58403380
  O     14.55337735      4.87356010    -17.25275817
  H     15.01538704      7.39729605     -9.80362226
  H     17.17944395      5.46785252    -14.08282003
  O     18.25192403      9.21125715    -17.02476027
  H     14.32478493      6.08702336    -11.87002609
  H     16.19195368      6.01782875    -13.03404308
  O     16.22073701      8.25979962    -15.41257836
  H     14.31373534      7.44109623    -12.62262797
  H     18.48160839      8.22348182     -9.08115935
  O     13.39931966     10.97126625    -14.40386261
  H     17.52379296      9.07542845    -12.83573868
  H     17.15703474      8.09237641     -9.86568063
  O     17.24200779      5.16275074    -10.41262067
  H     17.20612459     10.52151663    -13.31142818
  H     16.55565971     11.71760707    -18.94349709
  O     13.58907873      8.81448674    -16.20237721
  H     16.66230843      6.53607382    -15.69221152
  H     15.88291337     10.42263548    -18.42902571
  O     17.10255201      5.70969965    -13.15138676
  H     16.13591956      5.20502280    -16.27856057
  H     13.77595027      9.82125304    -12.88624261
  O     18.10351883      7.86392847     -9.87940633
  H     14.15145881      4.90069009     -9.51918655
  H     15.20018011      9.43304362    -12.48121988
  O     16.52296319     11.12148062    -18.20033520
  H     15.51411000      5.30671051    -10.13282991
  H     18.66265353     12.61313522    -13.72726149
  O     14.26546762      9.24930116    -12.28621636
  H     19.36357411      9.47831226    -15.52806414
  H     18.79456830     11.19623668    -14.33549138
  O     18.15794495     11.89558261    -14.09990270
  H     19.58145487      9.02295094    -14.05373194
  H     14.23031305      9.04528902    -17.86935781
  O     14.75664516      9.13591550    -18.67782738
  H     14.24890338      4.04138065    -17.60782328
  H     14.98735172      8.24107468    -18.94773851
          69
 Energy    -248.72042102620415     
  O     16.41776217     10.17827298     -8.98584014
  H     16.88451336      9.43339364     -9.40448509
  H     14.10094773      8.54363249    -14.32254719
  O     12.47773325      6.13578729    -12.88261593
  H     16.90583072     10.39656096     -8.19638793
  H     14.11904466      6.64800961    -15.13003700
  O     17.40191244     10.44216706    -15.05561572
  H     13.04515138      5.83168167    -13.60211421
  H     14.92216841      5.54035248    -15.82087390
  O     17.49090268      8.65234716    -12.95363810
  H     11.96699157      6.87861455    -13.22464183
  H     15.96438484      5.89416741    -14.03395714
  O     16.56988754     12.59853720    -13.44741463
  H     17.23381836     11.22154116    -14.50992827
  H     17.49926046      5.84456424    -14.28136238
  O     13.99345143      7.10441988    -10.81476620
  H     16.61245252     10.32209981    -15.60129276
  H     14.48108368      8.36277140    -12.03162364
  O     15.05537240     10.15259195    -16.61445942
  H     17.56842618      9.24003380    -13.71618738
  H     15.70406831      9.01453530    -12.73343790
  O     14.16540596     12.16723451    -14.96952953
  H     17.30519002      7.75951384    -13.27626630
  H     13.69454328      8.56560357     -9.69292415
  O     16.11190655      5.70328628    -17.21043936
  H     16.98233480     13.45553542    -13.37216649
  H     14.61600208      9.62725736     -9.05651063
  O     11.19194655      8.62998049    -13.86435026
  H     16.24158361     12.37269383    -12.55918165
  H     12.54955658     11.20883638    -12.06040582
  O     16.41716617      5.62429172    -10.90337128
  H     14.77675017      6.54647915    -10.74125843
  H     13.46403043     10.23431897    -12.82669807
  O     13.63654520      8.35298370    -15.15415768
  H     13.39402735      6.67934663    -11.44764200
  H     19.44683264      5.44994849    -15.93240420
  O     14.43486690      5.74011208    -15.00824540
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  H     18.68046484      6.79018162    -16.03246565
  O     16.82617852      5.99588327    -13.60498656
  H     14.72807023     10.97258754    -16.21705797
  H     17.29416709      7.24055374    -10.28790579
  O     14.74095382      8.98718216    -12.72242713
  H     14.94166763     12.42046637    -14.45472996
  H     17.74188626      8.41320571    -11.16935737
  O     13.69046073      9.41831811     -9.23902054
  H     13.54165208     11.79551831    -14.33383331
  H     15.82690997      9.07374335    -17.80975586
  O     12.66675776     10.78090592    -12.91756780
  H     16.09565937      6.56563219    -17.64266971
  H     16.16626528      8.62045936    -19.24547577
  O     18.60858844      5.86257678    -15.74318768
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  H     14.64248917     12.05610342    -10.80106534
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  H     10.27188257      8.82929870    -14.01700238
  H     15.96123144     11.42483822    -10.33340863
  O     16.29478297      8.39682236    -18.32677737
  H     11.59316865      9.43133249    -13.48716725
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  H     16.60117567      5.68365621    -11.85600093
  H     12.29220778     12.21562859     -9.66242216
  O     12.79245068     11.72778828    -10.31023635
  H     12.69684853      8.43726236    -14.95255785
  H     13.03399360     10.87731895     -9.89810158
          69
 Energy    -248.72028968207536     
  O     -2.63913868      3.86732357      3.50610403
  H     -2.41640986      3.94586117      2.56619683
  H     -3.47649468      1.69183908      0.12288334
  O      0.65383034      4.87799503      0.93171503
  H     -3.50742383      4.27757631      3.60390326
  H      1.39144869      1.94530344      1.44866590
  O     -0.71804916      0.06376031      2.73922881
  H      0.85908416      3.95021166      0.71417830
  H      0.53071047      1.56791659      0.22424650
  O     -2.45124163     -2.07109916     -0.21492442
  H      1.33280690      5.41314920      0.53078182
  H     -5.85613033      4.19819468      3.32843598
  O     -4.29200667      0.84941084      1.43330418
  H      0.07501037      0.53090209      3.02962708
  H     -5.64980843      5.60125601      3.94085652
  O     -6.94728250      2.87666809      3.12104064
  H     -0.81741850      0.23149745      1.79134391
  H     -2.76093289      4.99521466      0.74029397
  O     -7.31682934     -0.66366176      1.36680058
  H     -2.51199067     -2.66747381     -0.95764382
  H     -1.18920425      4.72864458      0.77142156
  O     -2.99813919      1.15221544      3.87127733
  H     -3.34714150     -2.00110111      0.15542537
  H     -4.86320021      5.09655954      0.06591763
  O     -5.26704431      3.69854324     -1.26459226
  H     -4.47591694     -0.09512027      1.35942154
  H     -4.79658627      5.46615515      1.56968202
  O     -4.87353349     -1.87287379      1.11366400
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  H     -4.23659424      0.02889423      4.60494883
  O     -4.03989371     -3.01649202      3.55539926
  H     -6.99410056      2.67183240      2.17710672
  H     -4.62066558     -1.46247540      4.46634810
  O     -3.02582920      2.21541651     -0.55960578
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  H     -7.30922378      0.18137918      0.89964092
  H     -0.76546153      4.04372340      3.78850410
  O     -5.23855181      4.94958843      3.37866840
  H     -7.42210274     -0.43300475      2.29939318
  H      1.02737774      2.51494776      3.55258806
  O     -2.06329355      4.32791718      0.83169024
  H     -2.86881125      2.11007162      3.86605057
  H      2.22151719      1.60554355      3.93504290
  O     -4.42466028      5.67388210      0.70272587
  H     -2.17535789      0.74954084      3.56004000
  H     -6.51334080     -0.07616305      4.38571104
  O     -4.93166309     -0.61426713      4.80321781
  H     -5.34649102      3.88025913     -2.19797985
  H     -8.00954554     -0.01663705      4.77136694
  O      0.19239156      4.04030862      3.66391956
  H     -4.46465844      3.16196966     -1.15307396
  H     -1.19971833     -1.71845091      2.71033887
  O      1.47095977      1.67106384      3.35143424
  H     -5.79579984     -1.57267536      1.12671094
  H     -1.74942979     -2.54637063      1.53864163
  O     -7.38998646      0.22778981      4.08902368
  H     -4.69982323     -2.31758280      1.95361848
  H     -1.39122502     -0.47888051     -0.19368621
  O     -1.59424023     -2.57372064      2.49027100
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  H     -1.62947824      1.03608431     -0.34378908
  O     -0.98196817      0.38245643     -0.04488355
  H     -3.11816945     -2.90113970      3.26236919
  H     -5.84899563      1.59502335      0.89043623
  O     -6.65972353      1.96649625      0.50537813
  H     -2.61396201      2.96799410     -0.10428510
  H     -6.36913935      2.58319307     -0.17488524
          69
 Energy    -248.72015310389270     
  O     14.71324000     10.26930324    -10.78959777
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  H     13.60354968      9.18450190     -9.85373302
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  H     12.62504794     10.44158197    -16.21113241
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  H     12.86276572     13.06893147    -15.91264230
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  H     12.32675116      7.97052085    -13.08569435
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  H     19.39188389      5.88961667     -9.71519718
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  O     18.57922061      6.35328701     -9.89841517
  H     18.68148964      9.63820834    -12.33018190
  H     17.31241437     10.15111003     -9.32639978
  O     15.05449833      6.64207354    -14.03260516
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  H     16.59138336      8.89988556    -15.37039290
          69
 Energy    -248.71996760028847     
  O      1.25684629     -0.26007296     -3.10068060
  H      1.26776610     -1.20060258     -2.87880048
  H     -1.51084014      3.35518240      1.87954916
  O     -2.61862154     -0.97668192      4.71720751
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  H      0.44642530      2.09680146      2.98791128
  O     -0.81235981      0.59331125     -1.27665320
  H     -3.58188179     -1.05207597      4.72190915
  H      0.51665586      2.15162749      1.44283170
  O      1.39179755     -2.87536331     -1.96548088
  H     -2.38017481     -0.53811018      3.88464982
  H     -3.06597988      2.83811932     -1.70978827
  O      3.12592587     -1.76049285     -0.16953489
  H     -1.00191422     -0.33577053     -1.08211962
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  O     -3.32745994      2.96003724      4.19134218
  H     -0.04444636      0.83865806     -0.74139185
  H     -1.30350809      0.93354136      2.24924603
  O     -4.33547311     -3.20715153      2.65495354
  H      2.01799969     -2.55994235     -1.28995829
  H     -2.58514523      0.22862037      1.69113478
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  H     -0.79652570     -2.25382885      0.22254625
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  H     -0.28067481     -2.49539763     -1.21298630
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  H      3.39098189     -0.95447912     -0.63083820
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  H      1.75010394     -0.16604175      2.98944961
  O     -2.42384042      3.63963751      1.72092294
  H     -3.69461827      3.73277476      4.61464255
  H     -1.72098985      0.50326725      5.41349918
  O     -0.03397577      2.38608970      2.20319338
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  H      2.18468321      1.20494481     -0.40484459
  O     -1.82377659      0.12352040      2.27762579
  H      1.85588186      1.44266683      5.00536376
  H      1.62007537      0.53647695      0.87778593
  O     -1.02230906     -2.13575270     -0.71195499
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  H     -2.03583798     -2.65262388      4.40084899
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  H      4.06382324      1.08369983     -2.23935335
  H     -1.59523309     -4.08531492      4.78359641
  O     -1.27479644      1.36064065      5.41278047
  H      2.68749714      0.37530459     -2.30419650
  H     -0.93713660     -1.36793318      2.06021481
  O      1.45826704      1.23727017      0.22820078
  H     -5.35684622      0.35853687      3.47315340
  H     -0.78926711     -2.80161445      2.63517600
  O     -1.78086972     -3.51892253      4.03918552
  H     -4.63612520      1.73255487      3.48215218
  H     -3.95809689     -1.36221850      0.21181059
  O     -0.42153783     -2.18894038      1.98808794
  H     -5.07651747     -2.02119258      3.66503880
  H     -2.89461349     -2.35190549     -0.30163031
  O     -3.75924572     -2.30514839      0.12121072
  H     -6.12371857     -1.68233800      4.75332645
  H     -3.80827372      1.16474842      0.08323653
  O     -4.05328694      0.42138433      0.64515420
  H     -2.63562518      3.33885146      0.83085347
  H     -4.58300357      0.75367445      1.38681455
          69
 Ord_Energy   -248.719757    
 O    1.90226197     -0.722879112      0.817224622    
 H    1.88530076       9.28214565E-02   1.33716464    
 H    2.79849362      -1.06916332      0.897496760    
 O    5.12160206      -3.30937803E-02  -1.39072287    
 H    5.80612183      0.562647283      -1.72392809    
 H    4.47869873     -0.179952607      -2.10214853    
 O    6.76927185       2.06476879      -2.10647106    
 H    7.58366489       2.35576940      -2.53413343    
 H    6.72010231       2.53393221      -1.25944448    
 O    9.06396675       4.54087925     -0.592281997    
 H    8.31715679       4.12550259     -0.146450013    
 H    8.78964901       5.45417166     -0.754068851    
 O    3.88551974       2.20940375     -0.240173474    
 H    4.26886225       1.40162230     -0.608902991    
 H    4.61667681       2.80981946      -6.88567385E-02
 O    4.40674543       5.00442314       2.55066133    
 H    5.02222633       4.30813360       2.80482960    
 H    4.85676336       5.53018904       1.87554801    
 O    1.75041175       4.47587585       2.36677241    
 H    1.28182423       5.01857376       2.99551702    
 H    2.69359088       4.70630264       2.44831848    
 O    4.69774151      -1.38103533      0.946218312    
 H    4.92206717     -0.957544208      0.100054070    
 H    5.09584045      -2.24786520      0.932664990    
 O    9.07146835       3.36440039      -3.05567646    
 H    9.93911457       3.16852498      -3.39818740    
 H    9.19707489       3.76580954      -2.17708707    
 O    1.54007757       2.44252205      -1.72108340    
 H    1.15943444       1.55880618      -1.64163482    
 H    2.36703324       2.43620467      -1.21461940    
 O    3.14529777     -0.213125825      -3.25928926    
 H    3.03000307      0.608939290      -3.75047112    
 H    2.32319927     -0.342682123      -2.76845098    
 O    7.85234022       7.00151062      -1.32086229    
 H    7.55387831       6.54201221      -2.12706661    
 H    8.12357330       7.87556696      -1.58728099    
 O    2.61049724       2.44820833      -4.24671555    
 H    2.15338302       2.53179741      -3.39186931    
 H    2.00357985       2.75600529      -4.91542673    
 O    6.48828411       3.47618818      0.264575422    
 H    6.22249126       4.40885782      0.253788531    
 H    6.50412750       3.18710709       1.18706822    
 O    2.33637142       1.75872219       2.01631331    
 H    1.98667276       2.62474036       2.25496936    
 H    2.88785434       1.91157734       1.23282611    
 O   0.814021409     -0.275203526      -1.60411179    
 H    1.17692113     -0.492297560     -0.726230741    
 H   -1.09484997E-02 -0.745909810      -1.68384254    
 O    4.89342213       3.82414865      -3.32962418    
 H    5.46514463       3.14605570      -2.94693851    
 H    4.16741371       3.36352992      -3.76628160    
 O    6.29535913       2.83766007       2.94475937    
 H    5.76416302       2.02257586       2.99160933    
 H    6.91089344       2.80984187       3.67214084    
 O    7.17125034       5.50098133      -3.48517585    
 H    6.31694603       5.05345058      -3.53998518    
 H    7.83568621       4.80294275      -3.52801013    
 O    1.33419943       4.95706844     -0.454639822    
 H    1.40563226       4.78376532      0.491693348    
 H    1.18259716       4.10306025     -0.878747880    
 O    3.82410192       5.68826866      -1.45244861    
 H    2.92537117       5.48119164      -1.16057646    
 H    4.07757998       5.04674006      -2.12557364    
 O    5.74394655       6.11056280      0.336259514    
 H    5.00921631       6.04627705     -0.300596744    
 H    6.46169615       6.56925631     -0.112984091    
 O    4.72541380      0.655666649       2.95814943    
 H    4.80507946      -8.64325985E-02   2.34745908    
 H    3.83748126       1.01469743       2.82106185    
          69
 Energy    -248.71967736517189     
  O     -7.71295673     -3.04951251      5.58470633
  H     -8.37838078     -2.35420581      5.53998902
  H     -7.92773103     -0.63195408      3.95616907
  O     -9.57387481     -2.52175127      2.43116243
  H     -6.89830722     -2.65486404      5.92085328
  H     -4.64171213     -1.87137903      5.59882623
  O     -7.63044041     -4.44454358      3.27632323
  H     -9.77883741     -2.11907954      3.28101062
  H     -4.58766090     -2.43889540      7.03833987
  O     -5.42753693      0.80487292      0.46578586
  H     -8.99510496     -3.26749077      2.63249112
  H     -2.47808286      3.70241936      2.42883158
  O     -6.11819989      0.58765531      5.99613127
  H     -7.65209695     -4.02926792      4.15847920
  H     -1.11345408      3.27896124      1.83173531
  O     -5.63846637      5.28781235      1.44824450
  H     -7.71978258     -5.38403632      3.40876193
  H     -9.72940059      4.13788031      5.11226138
  O     -3.87297759     -1.58242964      4.06654311
  H     -5.54829292     -0.06860648      0.07488576
  H     -8.59264023      3.52240564      4.26930790
  O     -4.28557637      3.36047864      0.09317087
  H     -6.29503378      1.07810800      0.79287434
  H    -10.18406616      1.92948989      3.81001342
  O     -9.53910662     -0.87382003      4.85648592
  H     -5.72309712     -0.21113340      6.36418935
  H     -9.73316203      1.27231410      2.50738847
  O     -6.16970471     -1.79595782     -0.36204330
  H     -6.40841281      0.33378925      5.10490433
  H     -5.88534108     -2.38818948      1.37977059
  O     -3.66711546      0.89386033      2.66310786
  H     -5.75681675      6.05866058      0.89990826
  H     -6.38977909     -3.28608508      2.55655967
  O     -7.09431861     -0.34056352      3.56196214
  H     -5.19185111      4.61844086      0.89873614
  H     -9.05144996     -1.52939655      0.99928591
  O     -5.15986199     -2.00017337      6.41465613
  H     -3.67626660     -0.72481253      3.67028488
  H     -8.58394343     -0.10216428      0.61458656
  O     -2.03976833      3.05513365      1.84757043
  H     -4.43239139     -2.03815558      3.42161472
  H     -7.83701198      0.98099564      6.58725013
  O     -9.34202808      3.30668782      4.84714652
  H     -3.43448192      3.26015019      0.53758079
  H     -9.00135526      1.88079061      6.13659810
  O    -10.36606444      1.18029451      3.22708638
  H     -4.67052220      2.47518129      0.06027423
  H     -4.02499299      4.06991737      3.93865861
  O     -5.81909464     -2.54008392      2.33036169
  H     -9.33909418     -0.31399733      5.62330298
  H     -4.23192540      5.08689966      2.80296682
  O     -8.64905551     -1.00595123      0.28943595
  H     -9.98276108     -0.26991242      4.23960334
  H     -4.56059451      1.96416881      3.83420227
  O     -8.79859356      1.07694583      6.62985309
  H     -7.10482209     -1.56192177     -0.20870152
  H     -5.32256496      2.00917100      5.17702155
  O     -3.55966519      4.71299028      3.38504831
  H     -6.12773891     -2.24416822     -1.20190167
  H     -7.72953872      2.29864165      2.04818240
  O     -5.01934763      2.56013559      4.44423680
  H     -2.97898257      1.51324145      2.38853967
  H     -7.61524305      0.78572402      2.34259270
  O     -7.90405070      1.42721839      1.66980691
  H     -4.26308066      0.78979087      1.90839200
  H     -6.45438539      3.27739265      3.63359284
  O     -7.18126872      3.68853562      3.14081753
  H     -6.66169841     -1.10893733      3.16845280
  H     -6.77617530      4.33945859      2.55418014
          69
 Energy    -248.71964948150816     
  O     11.30117049      8.62611900    -15.82384578
  H     10.72487217      8.74607068    -16.57384883
  H     20.96043830     10.46940818    -13.12974077
  O     17.20243671      6.97217996    -13.24220305
  H     11.82232172      9.44550539    -15.73422062
  H     15.80822658     10.86055427    -16.88415099
  O     16.21774643     11.06424779    -11.29488902
  H     17.37905112      6.66336652    -14.13966203
  H     15.17827063     11.28599992    -18.22932887
  O     16.94085206     10.85469268    -15.56639860
  H     16.42116699      6.53192912    -12.87594758
  H     16.09680571      8.21586798    -13.97581640
  O     13.09625602      5.36986123    -13.93629194
  H     15.94073469     11.00795036    -10.37251252
  H     14.90468624      8.24792758    -14.98141805
  O     13.71189489      8.40408186     -9.07476759
  H     16.82324587     10.32121253    -11.43460665
  H     10.04912051      7.18103454    -13.20378586
  O     14.87064045      6.25147052    -11.93268802
  H     17.20453524     11.45323506    -14.85284096
  H     11.02235067      7.77570556    -14.24694086
  O     14.07181573     10.62019874    -13.02815904
  H     16.45798925     10.12054895    -15.15585906
  H     16.78559827      9.06955388     -8.77752961
  O     17.80978987      6.69729931    -15.99554828
  H     12.30209247      5.85194264    -13.67636922
  H     17.70235187      8.50563985     -9.87952623
  O     15.57487478      6.20604619     -9.21814462
  H     13.72597120      5.48714422    -13.21194111
  H     18.64386600     11.70898367    -13.20619781
  O     19.20235154      9.18644021    -15.46514284
  H     14.22580523      7.58990492     -9.01490846
  H     17.25994934     12.00473565    -12.59261501
  O     20.01909971     10.32019507    -13.13629716
  H     13.35270563      8.42046370     -9.97276113
  H     18.84144681      9.43117951    -12.03242789
  O     15.08565639     10.66800019    -17.50826714
  H     14.28863891      7.02555604    -11.92470741
  H     17.85067682      8.24215799    -12.16105304
  O     15.48288637      8.79829430    -14.43809560
  H     15.12429938      6.09889848    -11.01341296
  H     14.75880370      9.77350479     -8.77009767
  O     10.97499430      7.29597735    -13.40458133
  H     14.72111945     10.95294369    -12.39509882
  H     15.19531832     10.95629424     -7.87354979
  O     17.29547394      8.29003310     -9.02851215
  H     14.55474271      9.95653925    -13.54922123
  H     15.66272027      8.76357192    -17.67508504
  O     17.82769286     12.20438473    -13.34828622
  H     18.20168461      5.98963968    -16.50144134
  H     15.07566485      7.45368163    -17.13815743
  O     18.09672404      8.99311053    -11.60244884
  H     17.14587085      7.11135548    -16.57392664
  H     13.29203328      9.20791075    -12.17535021
  O     15.43948624     10.45987568     -8.64982342
  H     16.25142481      6.90257840     -9.13460272
  H     12.25613617      8.04743119    -12.27734363
  O     15.86131837      7.82758925    -17.56434898
  H     15.78869042      5.53674308     -8.57403706
  H     13.63335367     10.78527183    -16.23160695
  O     13.01783279      8.36859605    -11.78104950
  H     18.48461451      9.80390839    -15.66420204
  H     13.26050077     10.92048786    -14.72470681
  O     12.89843650     10.76375380    -15.60675465
  H     18.84875963      8.30801263    -15.64029899
  H     13.58586334      6.41581611    -15.30522810
  O     13.74708094      7.14399479    -15.92320391
  H     19.80945789      9.87821701    -13.97878931
  H     12.91388994      7.61868971    -16.01536124
          69
 Energy    -248.71927465669387     
  O     12.46747741     11.93704282    -14.79989477
  H     13.28534302     12.44325113    -14.72874331
  H     17.33511026      5.34523262    -15.46111846
  O     15.40901128      6.60412984    -13.15336794
  H     12.10043827     11.84776012    -13.91181789
  H     15.56874649     10.89909276    -17.19744372
  O     17.46487394     10.27921003    -10.95192488
  H     16.34309066      6.64383692    -12.90254576
  H     16.86604655     10.98770873    -16.36305854
  O     17.89426353      9.65929791    -15.42222417
  H     14.87530555      6.97680049    -12.43779065
  H     14.59299971      9.18991501    -14.83670503
  O     15.60670676     10.14632739     -8.91520327
  H     16.91124196     10.71974555    -11.61337235
  H     15.42959467      8.20661957    -13.96429636
  O     13.83564728      7.88383771    -11.27833023
  H     16.95629319     10.31986798    -10.12850462
  H     11.38075143     10.19715955    -12.60914635
  O     15.70521667     11.31114607    -12.81956627
  H     18.42960779      9.71900081    -14.62245808
  H     10.41821907     11.26337560    -12.03218943
  O     15.82471577      7.26182122    -17.63029562
  H     17.00536960      9.40013105    -15.12857472
  H     17.81982156      7.04033682    -11.01016846
  O     15.15946239      7.26088448     -8.88443878
  H     15.42197078      9.22271351     -8.71038696
  H     17.50438330      8.42828451    -10.43681412
  O     18.59643025      7.69215717    -17.18966935
  H     14.87256228     10.43483845     -9.47588266
  H     12.41157411      8.15784843    -12.59969527
  O     15.39499418      5.33249481    -15.58052834
  H     14.15031329      7.56167820    -10.42370761
  H     12.17018716      8.67452081    -14.04946601
  O     18.25375175      5.58879092    -15.29362076
  H     13.82244072      8.84824008    -11.20074529
  H     20.11591183      9.62374492    -12.65826872
  O     16.13837868     11.51332674    -16.71742429
  H     15.55335099     12.05624006    -13.41213583
  H     18.66058015      9.79996625    -12.17934539
  O     15.43850538      9.07555024    -14.38225292
  H     15.60269480     10.50887073    -13.35433088
  H     18.57396272      7.65337882    -12.93350740
  O     11.32207307     11.11974876    -12.29931099
  H     15.59498448      6.59943356    -16.96719144
  H     18.31506108      6.29875845    -13.65318885
  O     17.49694093      7.48752786    -10.21836047
  H     16.78477232      7.35294042    -17.59706890
  H     14.94728493      8.71556970    -17.90995335
  O     11.76572805      8.58308153    -13.17632055
  H     16.03095533      7.24330776     -9.32146611
  H     14.16289886      9.59751876    -18.91142530
  O     19.20852137      9.46789116    -12.91042839
  H     15.20083283      6.64097509     -8.16180124
  H     12.87811233     10.93397918    -11.30051786
  O     18.17674837      6.78138800    -12.82459598
  H     19.29337614      7.97882147    -17.77385245
  H     14.39691662     10.99760687    -11.60790279
  O     14.47128369      9.55994986    -18.00987969
  H     18.40691356      8.43287054    -16.58843249
  H     15.27053495     14.05708887    -15.03216010
  O     13.74642533     10.68234400    -10.96413925
  H     15.29997854      5.73983291    -14.70322122
  H     15.44576294     12.60822207    -15.54666659
  O     15.07244521     13.14760922    -14.82618630
  H     14.83089906      4.56309330    -15.58645871
  H     13.35456498      9.40361767    -16.51148506
  O     13.00564135      9.39105878    -15.61255230
  H     18.48294441      6.22730728    -15.98032053
  H     12.75989652     10.30535016    -15.39402368
          69
 Energy    -248.71925940961177     
  O     -4.08894294      1.01374707      0.66602630
  H     -4.61125321      1.73264242      0.32088906
  H     -0.28154861     -5.40640037      0.11821969
  O     -3.07411243     -1.89200100      7.19514600
  H     -3.15460578      1.27043020      0.56042441
  H     -1.11532861     -1.06503265      2.44318805
  O     -0.17364715      2.01244190      2.79567459
  H     -2.89783078     -1.64627484      8.10012942
  H     -0.69284967     -1.21752638      0.94576264
  O     -4.26464159     -0.36205261      3.10477782
  H     -2.22035277     -1.87423177      6.73220067
  H     -1.74201329     -4.77991584      1.54536332
  O      1.86023312     -1.56468760      4.97448993
  H     -0.67606436      1.33353926      3.27448820
  H     -1.72649344     -3.24204083      1.82156654
  O     -3.69786815     -4.50874476      6.11380282
  H      0.68510602      2.03916428      3.21026919
  H      0.76405657     -2.33861584      2.24771485
  O     -0.78468334     -2.00023384      5.67184365
  H     -4.28228469      0.21556079      2.33140856
  H      1.49805603     -3.63709560      2.69112321
  O     -5.98418803     -3.69485700      4.55599187
  H     -4.40231204     -1.26267058      2.77599712
  H     -3.86779329     -3.43970040      2.10854700
  O     -1.48744893      1.62436371      0.37836539
  H      1.89010125     -1.93205021      4.07762881
  H     -5.20991843     -3.31083632      2.88542342
  O      0.91599235     -5.23973040      3.16790595
  H      2.69605251     -1.79053766      5.37660960
  H      2.07696337     -2.43703195      0.71005962
  O      0.09354495     -4.16791343     -1.02325820
  H     -4.48848330     -4.36988334      5.57839048
  H      3.03912344     -2.25355193     -0.48602152
  O     -0.55760380     -6.01295810      0.82892143
  H     -3.57012999     -3.68899550      6.60683347
  H     -1.39345974     -0.70261987      4.54960734
  O     -0.82977913     -1.69715113      1.77067413
  H     -0.94995044     -2.87873668      5.29718051
  H     -2.58621110     -0.14121379      3.69536839
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  H     -0.72240113     -1.13418947     -1.23949399
  O      1.63983535     -2.71425075      2.42771690
  H     -6.88632284     -3.93733782      4.74754818
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  H     -2.28234339     -2.40338587     -2.77389010
  O     -1.63590196     -0.06935575      3.86191093
  H     -0.94391399      0.98698320     -0.10081688
  H     -4.56888522     -1.35763487      6.14162852
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  O     -1.39817623     -4.47294024      4.61062623
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  H     -4.36181246     -2.17836077      0.44834889
          69
 Energy    -248.71913436203198     
  O     -0.23471763     11.88097538      1.54753353
  H      0.03521144     11.77057553      0.62038232
  H     -1.73857480      8.98417106      0.81291729
  O     -0.89286817     13.84599405     -2.16019449
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  O     -0.01113569      9.77088169     -2.97184857
  H     -0.19130116     14.48418949     -2.35795342
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  H     -2.66262343      9.55400459     -1.11873944
  H      3.24697519     13.26299949     -4.92979651
  O      0.45553211     11.72321900     -1.05803969
  H      3.58008546     14.70770183      0.41784418
  H      1.91135131     12.80218240     -4.29784043
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  H      2.03237102     14.67873522      0.53200297
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  H      2.76882058     10.05253574      0.71939254
  O     -2.66014824      9.29330497      0.75823560
  H      3.61841970     14.21770105      2.91900396
  H      2.19880064      7.36043759     -1.60840615
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  H      5.06834258     13.29641377      1.54829566
  H      2.36628318      8.75924383     -0.97830885
  O     -0.08778750      8.40411841      0.82898746
  H      5.85833006     14.62412599      1.63329193
  H     -2.25558995     14.08438274      0.76117733
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  H      2.24337275     10.41749393      2.93512531
  H     -1.50466773     14.67590761     -0.43571952
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  H      0.98410324     10.73799574      2.08903229
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  O      3.35181478      9.96181027     -0.05010422
  H      0.24191721     11.00213785     -1.66342481
  H     -4.04632414     13.04164899     -2.38999545
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  H      3.05632250     13.17209419     -0.96902735
  O     -1.75502664     14.85740695      0.47743608
  H     -0.27102284     12.74077065     -3.84139947
  H      3.12764157     12.57027759     -2.40151124
  O     -3.32450390     12.57541810     -1.97446267
  H      0.18128590     11.27739476     -4.03061791
  H      1.90918051     15.24394512     -1.71836547
  O      3.10892734     12.34099178     -1.46327575
  H      0.47735866     13.53005951      1.78835498
  H      1.94031696     14.71485436     -3.16148505
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  H     -0.10289288     14.88280538      1.41010036
  H     -3.14981389     12.29140331     -0.09895631
  O     -2.92715830     12.11473665      0.82425008
  H     -3.19508782      8.62415856      1.17789626
  H     -2.93158830     11.14984205      0.90027163
          69
 Energy    -248.71864376548541     
  O     15.67841949      9.60151251    -16.88112853
  H     14.81885938      9.88389828    -16.54432047
  H     18.10052772      6.90736122    -11.23944217
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  H     19.30074368      9.34037006    -17.39411794
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  H     16.52050121      5.30870553    -14.18544788
  H     20.54852396     10.19886729    -17.71218635
  O     19.66268589      8.89811035    -14.50449488
  H     16.86680495      5.44364230    -12.69203426
  H     16.32665697      8.48929369    -13.78560065
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  H     17.39473139     14.87974653    -11.54098949
  H     16.43297606      8.96924795    -15.27116052
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  H     12.47401658     10.59537703    -15.94261738
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  H     19.90067867      9.32034514    -15.33847269
  H     13.09347739      9.29911065    -15.35952870
  O     17.21041240     11.97106709    -13.64772950
  H     18.69852336      8.78469330    -14.52167465
  H     17.35938630      9.16605248     -9.99720787
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  H     13.12791320      7.12317446    -14.28024716
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  H     19.32391782      6.01743952    -13.28477033
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  H     17.96365726      7.34654893    -17.25743819
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  H     13.21156422      5.65914150    -12.19380115
  H     14.10675055     10.87143773    -14.01205092
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  H     18.28959752      5.89629877    -15.36451129
  H     18.37914787     11.19964863    -16.59392618
  O     17.49334733     11.53703790    -16.41662589
  H     18.67655431      5.52063116    -10.89132948
  H     17.46003010     11.77342686    -15.47962457
          69
 Energy    -248.71862362596420     
  O     -1.20875074     -0.51786629     -0.79400667
  H     -0.68812029      0.27819789     -0.94465567
  H     -1.31587106     -4.84340035      1.08495467
  O      0.40502588      2.17207931      2.13436425
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  O     -4.01537983     -3.07740158      3.80129151
  H      0.33295396      2.08931905      1.17526534
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  H      0.94840760      1.44062178      2.45042285
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  H     -4.30270038     -2.35240461      3.22510978
  H     -2.44656130      1.57334498      6.54641526
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  H     -4.25696155     -3.88458159      3.33166279
  H     -1.15389444      2.32815863      2.91474456
  O      0.36893251     -0.21911902      5.65918877
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  H     -2.08714277      1.89627113      4.11185297
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  H     -2.76729950     -0.91432688     -1.67840769
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  H     -3.37802256     -5.43960803      1.88594518
  H     -3.89351884     -1.92607580     -1.40160684
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  H     -4.78095533     -6.09342492      1.91552157
  H     -4.31382469      4.20968232      2.11042170
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  H     -3.35856878      3.01179635      2.32279560
  O     -4.68230046     -1.22575443      1.88643536
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  O     -4.04968061      3.37165719      1.74006583
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  H      0.36411063      2.63102850     -1.31304014
          69
 Energy    -248.71841180323514     
  O     -7.03924556     -3.41564975      5.88658286
  H     -6.28650688     -2.87891642      6.15685726
  H     -4.30493241      0.78913928      1.92449496
  O     -9.36462127     -2.12749954      3.26038174
  H     -7.83505357     -2.93251830      6.15434677
  H     -6.56564276     -1.09337460      3.07870509
  O     -7.63613917     -4.34060708      3.44402298
  H     -8.64618621     -1.47824353      3.35695276
  H     -6.89533138     -0.14430912      4.27978404
  O     -5.44674868      0.92527087      0.48232757
  H     -8.93763700     -2.99351063      3.26503048
  H     -4.20430401     -1.80754629      7.15996414
  O     -6.48877086      0.56215113      5.92271625
  H     -7.73831883     -5.28792663      3.45630496
  H     -4.44959651     -1.65884699      5.63698756
  O     -4.81234553      5.27438502      1.61906750
  H     -7.37650349     -4.07138801      4.34635133
  H     -0.77009164      2.69712832      1.92287718
  O    -10.37267330      1.27917066      1.13807426
  H     -5.72815910      0.07589487      0.12565946
  H     -2.07071629      3.26681234      2.54204915
  O     -9.40211268     -1.98865983      6.18654186
  H     -6.23893405      1.32408553      0.87348289
  H    -10.47147656     -0.56999783      3.55278869
  O     -3.85929574     -1.62616112      4.02738458
  H     -5.94835735     -0.16376841      6.25948347
  H    -10.21242981      0.63967033      4.46908346
  O     -3.85647851      3.23691184      0.07913650
  H     -5.89230824      1.25967537      5.61131937
  H     -6.00290460     -2.35579791      1.34358330
  O     -6.60023980     -1.58698948     -0.25228733
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  H     -6.38576805     -3.27819208      2.54832288
  O     -3.70396122      0.80064638      2.68169766
  H     -4.51419960      4.58200459      1.00323338
  H     -9.62414640     -0.39272693      0.56898285
  O     -7.19260745     -0.43779746      3.40968391
  H    -11.12375248      1.77622407      0.82661297
  H     -9.35791241     -1.67485997      1.37053004
  O     -4.88396931     -1.65078766      6.51029273
  H    -10.56018373      1.03090975      2.06184323
  H     -9.44344280      1.55496128      6.72559730
  O     -1.71978687      2.62358922      1.89928651
  H     -9.41411189     -1.03159885      6.30786238
  H     -8.24786475      0.82895819      6.07625991
  O    -10.67777045      0.36566235      3.66889027
  H     -9.59893036     -2.12526882      5.25303536
  H     -3.59714722      4.77531681      3.02338326
  O     -5.77837954     -2.58709131      2.25354423
  H     -3.68654540     -0.77402145      3.60421781
  H     -3.55310608      3.75872211      4.18009995
  O     -9.18868412     -1.25252363      0.52011802
  H     -4.39491253     -2.12053768      3.39320550
  H     -5.53615710      2.95630471      4.25503469
  O     -9.21824452      0.87435520      6.09562551
  H     -3.04096995      3.00381690      0.54043988
  H     -4.48302626      1.82953023      4.01021444
  O     -2.99362096      4.30189214      3.61098351
  H     -4.39695016      2.43606834      0.06860334
  H     -8.60974017      1.72753978      1.50033951
  O     -4.87044425      2.39814559      4.69062457
  H     -6.58471587     -1.98492062     -1.11900299
  H     -7.57223705      1.00312158      2.39887814
  O     -7.69982930      1.76714909      1.81547513
  H     -7.53686182     -1.44770093     -0.02478622
  H     -7.10206386      3.24050822      2.73899983
  O     -6.66123833      3.90446027      3.28668452
  H     -2.93043101      1.31415483      2.41709325
  H     -6.13770020      4.45056861      2.68679105
          69
 Energy    -248.71840480382735     
  O     14.45163921     11.37341651    -10.84818165
  H     14.64822397     10.75439917    -10.13578667
  H     18.25962335      9.45303186    -10.02486565
  O     15.37661435      8.14201650    -15.32456397
  H     15.25534129     11.43430215    -11.38179942
  H     15.91604004      8.28398848    -13.62467603
  O     14.75038796      5.14992600    -12.04490496
  H     14.40815448      8.16641766    -15.33272725
  H     17.10299286      8.01361982    -12.64174074
  O     18.70056737      6.32751201     -9.93195965
  H     15.67503478      9.05835247    -15.43332852
  H     11.54067985     11.83323045    -11.93552985
  O     15.89680541     10.81745580    -15.19725787
  H     13.93847652      4.64097514    -12.16189602
  H     12.96078980     11.26136705    -11.71392987
  O     10.76901296      5.94349196    -13.14389452
  H     14.52473546      5.96019854    -11.56733528
  H     14.16013204      4.59509714    -15.26265854
  O     12.63613967      8.29918402    -15.15566201
  H     18.17629475      5.63048649    -10.36631314
  H     13.00256368      3.95181977    -14.47146989
  O     14.27924847      7.63945598    -10.93834881
  H     19.32785433      5.88470512     -9.36632578
  H     12.86169876     10.20149659    -15.18324973
  O     11.26637184      5.99475118    -15.97327189
  H     16.27452399     11.10693533    -14.35996321
  H     12.79240423     11.22105034    -14.04053573
  O     18.89841847      7.48465848    -12.49049539
  H     14.95441555     11.04357753    -15.15306587
  H     16.43682163      4.64353137    -11.55452826
  O     18.38857704      5.18730482    -14.05021833
  H     11.08168459      6.79842867    -12.81809692
  H     17.78827896      4.56431608    -12.29278945
  O     17.73602197      8.94831392     -9.39245414
  H     10.76247504      6.00614262    -14.10718020
  H     15.38265813      5.46427537    -13.75623413
  O     16.20483213      8.35786298    -12.70405536
  H     12.12920053      7.58083593    -15.55110387
  H     15.63537604      6.40226673    -14.98838183
  O     12.13593607     11.14449083    -12.21894861
  H     12.43941197      8.29350116    -14.20767033
  H     11.75246953      4.56910400    -12.76042096
  O     13.26247672      4.25214345    -15.35162944
  H     14.43554791      8.13793266    -10.12863742
  H     11.88333048      3.10892446    -12.26075514
  O     13.13467582     11.09359141    -14.93283012
  H     14.96445139      7.92953775    -11.56364158
  H     20.18426943     10.39761240    -11.64204726
  O     17.38595790      4.51316870    -11.41806550
  H     11.98636471      5.35195493    -15.84291718
  H     19.25216601      9.22575583    -12.01558593
  O     15.74416652      5.49898840    -14.65468619
  H     10.79115310      5.72441186    -16.75394699
  H     11.94681753      9.30951838    -12.32731327
  O     12.37438358      3.82672025    -12.65054505
  H     18.92139251      7.08372681    -11.60971730
  H     12.77689362      8.08506232    -11.86596355
  O     19.28602807     10.08494475    -11.56466536
  H     18.84429131      6.75597291    -13.12178157
  H     16.05979001      9.25014260     -9.04017726
  O     12.03678717      8.35283154    -12.42788074
  H     17.47028356      5.26700171    -14.36141333
  H     14.98727123      9.48416207     -7.95068013
  O     15.10578528      9.37730009     -8.89061839
  H     18.85799003      4.68411926    -14.71045030
  H     16.44483982     10.15208219    -12.52801003
  O     16.73947351     11.07241875    -12.44054916
  H     18.02135181      8.03020554     -9.48153322
  H     17.65721680     11.00517650    -12.15786709
          69
 Energy    -248.71793666446840     
  O     10.72109433      9.15603027    -13.14747975
  H     10.85716845      9.44149711    -14.05889918
  H     17.76905764      6.79965857    -16.65035781
  O     17.44162351      8.74468809    -13.74286654
  H     10.89906191      9.93136869    -12.60151237
  H     18.20833025     10.45149472    -14.37478716
  O     16.42284123     11.58349770    -10.80695701
  H     17.56457578      8.32576124    -14.61101162
  H     17.98942131     11.94684251    -14.05735449
  O     15.02103258     12.70168171    -14.75196493
  H     16.61804948      9.25588677    -13.75565095
  H     13.18219872     12.60519688    -14.45162216
  O     13.54117626      6.22058439    -14.35048368
  H     15.53463678     11.20577306    -10.86803672
  H     11.97921566     11.70673126    -14.84273531
  O     16.06164173      7.45001765     -9.12497533
  H     16.93321574     10.96662195    -10.26983430
  H     14.64785402     10.13733141    -12.88285854
  O     15.85253331      6.56812427    -12.72734409
  H     15.48876961     12.51665834    -15.57758850
  H     15.03797761     10.97865354    -14.12754443
  O     13.98270747     10.32210625    -11.21713728
  H     15.68426169     12.99012242    -14.10960788
  H     10.83849065      6.20662619    -12.06857370
  O     15.76417554      9.15910231    -17.45514540
  H     14.37115636      6.19044228    -13.85649311
  H     11.24544937      7.59864145    -12.60728810
  O     17.67156278      5.72746137    -10.76362086
  H     12.84249218      6.29548290    -13.68896130
  H     18.45765380      8.38349167    -12.23353001
  O     16.64874676     11.83622202    -16.86565352
  H     16.56840559      6.74695103     -9.55087606
  H     18.58168757      8.69699064    -10.72223451
  O     17.63585800      7.62573938    -16.19406437
  H     15.21831175      7.48700407     -9.59408681
  H     17.47282393     13.93833161    -12.54877360
  O     18.27928880     11.33660618    -14.74831584
  H     16.38960988      7.26888813    -13.11580431
  H     16.86288129     12.58359917    -12.11855806
  O     12.26668249     12.39397961    -14.22811458
  H     16.42677723      6.10697152    -12.10226387
  H     17.08952968      8.87555399     -9.16428140
  O     15.03818614     10.08392709    -13.76506341
  H     13.10683698     10.71664070    -11.30952530
  H     18.13253318      9.74112538     -8.42285221
  O     11.59287995      6.74491324    -12.29204138
  H     13.88128783      9.37736906    -11.03503647
  H     14.14292191      9.12434347    -14.97107556
  O     18.85561435      8.07508904    -11.40793558
  H     14.96841323      8.96598594    -16.94053676
  H     13.58709992      7.71995888    -15.32168887
  O     17.08762527     13.13586977    -12.88991188
  H     15.97518902     10.08861514    -17.30805861
  H     13.06916140      7.24725878    -11.29429728
  O     17.72895930      9.60137902     -9.27575070
  H     18.19526648      6.51900414    -10.98903687
  H     14.58509108      7.25913478    -11.59427640
  O     13.67061031      8.62530964    -15.65407238
  H     18.28978551      5.01733256    -10.61747901
  H     11.78682572     11.91725619    -12.64188101
  O     13.91668221      7.57448832    -10.96840479
  H     17.11623198     12.28291230    -17.56701324
  H     10.99945404     12.17568242    -11.33240681
  O     11.52484533     11.52426294    -11.78843293
  H     17.30655342     11.63072533    -16.17662802
  H     12.21011428      9.56698279    -15.79564447
  O     11.41836135     10.13064308    -15.74508483
  H     16.99803776      8.13075306    -16.72657432
  H     10.97223950     10.05535240    -16.58441024
          69
 Energy    -248.71789360939067     
  O     19.68003920     11.16841463    -10.85176499
  H     19.45866532     10.97659809     -9.93076931
  H     18.56537100     11.24027302    -12.28638456
  O     18.50434800      6.74684427     -9.68531822
  H     20.62124881     11.38209270    -10.87748528
  H     22.37801667     10.63943472    -10.11907353
  O     19.74238436      3.93445045    -11.65612074
  H     18.98661876      7.29555413    -10.32333272
  H     23.12060221     11.95069258    -10.47490687
  O     20.91629818      5.54793479    -13.75931415
  H     18.00457732      6.09806673    -10.20055021
  H     19.24357613      7.88769974    -13.15644836
  O     21.93394128      9.43376361     -8.94035336
  H     18.80745705      4.17412412    -11.61023904
  H     19.40198135      8.43597973    -14.58205635
  O     17.10455465      5.03486159    -11.35955594
  H     20.11102561      4.42660668    -12.39840572
  H     20.51712584      4.55583266    -10.10686241
  O     22.32502278      7.43263088    -12.17311177
  H     21.15630179      5.11062059    -14.57306253
  H     19.96673872      5.66710053     -9.21677455
  O     14.38348460      7.74061521     -9.17610420
  H     20.26673513      6.23271731    -13.98980334
  H     14.73362369      6.53872954    -13.06786333
  O     22.81936251      6.77473825     -9.49720757
  H     21.01481591      9.46569829     -8.65433230
  H     13.58072303      7.29833769    -12.38814791
  O     19.77224436      8.37767132    -11.49793043
  H     22.17809089      8.50607547     -9.04563294
  H     16.53772383      9.26954042    -10.87903001
  O     19.13888612     10.19966356     -8.28453323
  H     16.24948327      4.89288580    -10.93517009
  H     16.80010595      9.99187940    -12.25330573
  O     18.00353613     11.01354110    -13.04202746
  H     16.94665956      5.67311457    -12.07024139
  H     16.43983302      7.82746082    -12.72513457
  O     22.47990442     11.32602705    -10.80344163
  H     22.61015585      7.13317190    -11.29990031
  H     17.37668836      7.15997207    -13.75312728
  O     19.15535129      7.64230612    -14.09169134
  H     21.98624860      6.67191720    -12.66224448
  H     22.39212537      9.08160982    -13.02117093
  O     20.74396688      5.10802396     -9.34491600
  H     14.42795843      6.81306207     -9.43838756
  H     22.38400932     10.53677813    -12.53450703
  O     13.86616204      6.41604791    -12.65900420
  H     13.92820979      8.19165325     -9.89770706
  H     15.99318114      8.52734593     -8.95612435
  O     16.22059299      9.37275573    -11.78494444
  H     23.57645661      6.40869193     -9.04845013
  H     17.44557060      8.04255981     -9.19913851
  O     16.56860991      7.02043092    -13.24583177
  H     22.09509170      6.12841436     -9.40170059
  H     13.01669903      9.82560839    -11.79851167
  O     22.21898439      9.98809798    -13.31023452
  H     20.69579730      8.13443808    -11.64860530
  H     14.45102312      9.25439465    -11.71914642
  O     16.90250672      8.83730244     -9.07188102
  H     19.74238646      9.32871050    -11.34245663
  H     20.83306300     10.13940813    -14.37126199
  O     13.51052005      9.03466319    -11.59947082
  H     18.30283764      9.75027983     -8.49584007
  H     20.26867786     10.62743897    -15.72564013
  O     20.03460055     10.15886254    -14.92905510
  H     19.01691787     10.60348694     -7.42857999
  H     14.17023621      5.49097325    -11.19407419
  O     14.45954859      5.08914310    -10.35489016
  H     18.60920618     10.77674536    -13.75266296
  H     13.84239629      4.38915944    -10.15784388
          69
 Ord_Energy   -248.717834    
 O   -5.73401022      -2.88861561       3.23265600    
 H   -5.07560873      -3.34624147       2.69561839    
 H   -6.55969286      -3.38526249       3.14385939    
 O   -4.67413425      -7.13628435       2.52939987    
 H   -4.45981741      -6.25030565       2.21436620    
 H   -5.62418938      -7.14922762       2.71347046    
 O   -8.51728630      -7.72326565       7.25658131    
 H   -7.62470865      -7.57142496       6.90312767    
 H   -8.48521233      -8.55403328       7.72604227    
 O   -8.04959393      -4.41955042       3.24160600    
 H   -7.77907896      -5.34590054       3.18354654    
 H   -8.17032337      -4.25543499       4.18988848    
 O   -5.81288433      -4.61804152       7.33130836    
 H   -6.22202778      -4.21633148       8.10674191    
 H   -5.25916576      -3.96489930       6.87817764    
 O   -7.23649454      -1.06647968       8.02926254    
 H   -7.38571882      -1.87948906       8.52457523    
 H   -7.90345573      -1.04806840       7.32965755    
 O   -8.81360054      -1.33032537       5.69450903    
 H   -8.55989170      -2.26175046       5.78366423    
 H   -8.15159130     -0.917110145       5.12042427    
 O   -8.16578197      -3.99740314       5.94314098    
 H   -7.29013491      -4.16610289       6.31199837    
 H   -8.78836727      -4.41661263       6.54810190    
 O   -9.46290684      -5.20683527       8.13787460    
 H   -10.3108587      -5.00111485       7.71193552    
 H   -9.21502495      -6.10962057       7.90053225    
 O   -2.70236731      -4.78395510       4.52346039    
 H   -2.94406843      -5.66323709       4.83754206    
 H   -3.17822695      -4.14455795       5.07001686    
 O   -11.5519743      -4.51892424       6.57201576    
 H   -11.7362862      -5.15143442       5.86590672    
 H   -11.5537901      -3.65071559       6.15131712    
 O   -6.04570770      -7.08673239       6.20156336    
 H   -5.92593861      -6.23231363       6.64367914    
 H   -5.17639494      -7.34761381       5.87265396    
 O   -3.73315167      -4.45878220       2.02594066    
 H   -3.26996827      -4.56048298       2.87735963    
 H   -3.06992269      -4.24954271       1.37333167    
 O   -4.44706726      -2.89992881       5.71298647    
 H   -4.92251968      -2.90080142       4.86858606    
 H   -4.49339104      -1.99978507       6.05905151    
 O   -7.24662733      -7.04886103       3.60934234    
 H   -6.81514120      -6.99619865       4.47244406    
 H   -8.11983681      -7.43090487       3.78205848    
 O   -7.55521917      -3.61632681       9.32763100    
 H   -7.59594297      -3.70006299       10.2771215    
 H   -8.28045082      -4.15693140       8.96977997    
 O   -11.8843946      -6.16535854       4.27996016    
 H   -11.5253696      -5.42700005       3.75504804    
 H   -12.6904926      -6.44046164       3.85106444    
 O   -3.56815362      -7.51261902       4.97079897    
 H   -2.93220377      -8.22309971       4.97567558    
 H   -3.91330338      -7.45047903       4.06081915    
 O   -11.3628521      -2.06180668       5.08432293    
 H   -10.4917860      -1.68863082       5.30146122    
 H   -11.9683609      -1.32689846       5.02823877    
 O   -6.65124321     -0.412824184       4.27369165    
 H   -6.01952744     -0.256177962       4.98550653    
 H   -6.30998659      -1.16692257       3.77427101    
 O   -10.8320236      -4.00939751       3.03005409    
 H   -10.9958258      -3.26610827       3.62328768    
 H   -9.87288666      -4.09232378       2.94367266    
 O   -5.00092554     -0.343022406       6.66601896    
 H   -4.58013964      0.413205326       7.06543398    
 H   -5.76992846     -0.564878106       7.22139025    
 O   -9.65955639      -7.89415598       4.58928823    
 H   -10.4440651      -7.34053326       4.48801088    
 H   -9.42222309      -7.86207008       5.52292681    
          69
 Energy    -248.71773678928457     
  O     14.33456803      6.85801874     -8.69977287
  H     14.98369980      6.27946964     -9.12009647
  H     17.47411425      8.22708746    -13.63474625
  O     14.24868957      6.59082249    -16.38998392
  H     14.72251527      7.74073804     -8.71305637
  H     14.20448093      9.12637476    -11.95630615
  O     17.91516475      6.72704372    -14.50503448
  H     13.70757549      7.19619710    -15.85520338
  H     15.43062841      8.68245937    -12.81255710
  O     10.57312853      7.70863125    -13.27073760
  H     13.69298390      6.28322710    -17.10191914
  H     11.24203268      6.44598349     -8.35387088
  O     17.38983305      4.01401771    -12.30084544
  H     17.15200122      6.13309352    -14.43816465
  H     12.61781062      6.72654521     -8.99623292
  O     11.47941828      5.62989124    -11.79900814
  H     18.65499939      6.28906914    -14.06886296
  H     20.70693881      5.04375761    -13.15523590
  O     17.50754785      8.15613217    -10.56594854
  H     10.85419102      6.90625561    -12.79356685
  H     19.90279372      5.85725461    -12.11344880
  O     13.53785349     12.33300457    -12.60480164
  H      9.64721853      7.59869500    -13.47060457
  H     14.85407202      5.60745280    -11.44932118
  O     16.58430310     10.55042899    -15.48420001
  H     16.83691879      4.14274966    -13.08046147
  H     14.25559419      6.75454304    -12.28525658
  O     13.80830011     11.02506175    -15.00197550
  H     18.26336989      4.34708721    -12.53952355
  H     15.84203571      7.60165933    -16.66374589
  O     12.86038331      8.32618990    -14.77399787
  H     12.42417565      5.53711090    -11.98784758
  H     17.24702337      7.59370060    -16.03224543
  O     17.16533939      9.02592410    -13.18008198
  H     11.43745795      5.87450881    -10.86589654
  H     15.18792357      5.45829368    -15.15375338
  O     14.50991717      8.48002220    -12.60498337
  H     17.44119399      8.54772504    -11.44826611
  H     15.10908492      5.28525799    -13.62475701
  O     11.66078114      6.69875145     -9.17229552
  H     16.90379971      8.64493811     -9.99301191
  H     19.07980271      7.28446998    -10.50915771
  O     19.83701759      5.38176892    -12.95943329
  H     13.61329658     11.90217451    -13.47273341
  H     19.98690238      6.36018103     -9.68477884
  O     14.22646629      5.79410362    -12.15881557
  H     13.06662085     13.14775189    -12.75725177
  H     11.35707211      8.25962034    -10.18944308
  O     16.66995878      8.09572671    -16.62394552
  H     17.10833760     11.17501429    -15.97908390
  H     11.01721207      8.69537038    -11.63003730
  O     15.66976731      5.10769601    -14.39565188
  H     16.60805186      9.71004436    -15.97671641
  H     16.73433329      6.42796565    -10.42644416
  O     19.85229279      6.69995835    -10.56677773
  H     13.38498400     10.16091842    -15.06705727
  H     16.72144006      4.94350764    -10.87965786
  O     11.30099534      9.02874858    -10.77158321
  H     14.74219889     10.88662994    -15.20407154
  H     14.88021703      9.82959784     -9.59930838
  O     16.28834066      5.58111369    -10.29324185
  H     13.47638548      8.41112928    -14.02870061
  H     15.66368585     10.06887405     -8.28835989
  O     15.54940816      9.44835328     -9.00370286
  H     11.99805870      8.14584418    -14.37911370
  H     12.78198563      9.96372901    -10.68623758
  O     13.66963384     10.35263891    -10.73087975
  H     17.03756547      9.69874189    -13.85957736
  H     13.63573185     11.11718442    -11.32396129
          69
 Energy    -248.71755816689887     
  O      0.71885453     -0.38947172      4.55101721
  H     -0.02912701     -0.43864562      3.93377521
  H     -2.78198302     -2.28398415      5.04383116
  O      0.16866889      0.04487941     -2.58996491
  H      0.70209655     -1.21738523      5.04563457
  H     -0.50083378      2.93929834      3.92583330
  O      0.20422097     -2.89104721      5.70908776
  H      0.08474949      0.39743710     -3.47159344
  H     -0.37410240      4.35879888      3.31833990
  O      4.18341434      0.06107135      0.22714322
  H      0.93901732      0.48106222     -2.17939899
  H     -1.01202325      0.70302196     -1.20815712
  O     -4.49986918      0.92796732      3.68317922
  H      0.45523320     -3.34064826      6.51113323
  H     -0.61125692      1.22491323      0.17981742
  O     -2.20834316     -4.72574570      1.95039967
  H     -0.72142495     -2.60563692      5.82360029
  H     -1.80530954      0.22403432      2.49424192
  O     -0.64261962      1.92095659      5.30083635
  H      3.65547788     -0.03074091      1.03613353
  H     -2.06202881     -1.24414060      2.94187628
  O      2.16372408      1.26608634     -1.27688288
  H      5.08430761      0.18325103      0.51644231
  H      0.13881610     -1.62873809     -1.91846337
  O     -5.33754169     -1.16840369      1.94693842
  H     -4.91343615      0.22948873      3.16338746
  H      0.82279916     -3.01168053     -1.93729899
  O     -3.33039391     -2.54084444      3.31810058
  H     -3.91556719      1.39386812      3.06779897
  H      2.00241459     -0.18160551      3.20774258
  O     -2.56043847      1.92683725      1.98256308
  H     -1.34475426     -4.56033767      2.37037641
  H      1.83430968     -0.88253332      1.85241932
  O     -2.34125978     -2.01817826      5.86332022
  H     -2.38567318     -5.65811470      2.04138487
  H     -3.68385957      1.04410831      6.71446963
  O     -0.45705773      3.43751687      3.08894694
  H     -1.49141258      1.56146564      5.58710484
  H     -3.65573416      0.78572842      5.19179994
  O     -1.37612791      0.96847131     -0.35738555
  H     -0.05686470      1.15988895      5.18773001
  H      0.49244668      2.48037047      1.79376730
  O     -1.37190404     -0.60632950      2.71772842
  H      2.94888254      0.83685848     -0.91041170
  H      1.36021205      1.20711666      1.57936519
  O      0.15859644     -2.49625505     -1.48468646
  H      1.73170647      1.68524961     -0.52089939
  H      0.21498073     -3.69678603      3.97810940
  O      2.34289506     -0.18975929      2.30420968
  H     -6.19692734     -1.36357995      1.58479763
  H      0.43374717     -3.36268129      2.47848805
  O     -3.12765915      0.72518145      6.00806414
  H     -4.74343401     -1.00552389      1.18998890
  H     -0.20279555     -1.47635166      1.60796358
  O      0.82496876      1.87121147      1.12422705
  H     -3.05029425     -3.32677006      2.83239803
  H      0.40408101     -2.13257077      0.32044146
  O      0.14304896     -4.05658477      3.08630294
  H     -4.10275830     -2.17056196      2.87184636
  H     -1.54962391     -3.14981486     -0.90051708
  O      0.55617317     -1.96659690      1.25674255
  H     -1.90647846      2.54660563      2.33084716
  H     -2.30256871     -3.83567489      0.26802664
  O     -2.42593281     -3.30871461     -0.53097853
  H     -2.32631124      1.74853960      1.06278589
  H     -2.85934236     -0.24106526     -0.16858561
  O     -3.58912308     -0.85929732     -0.06208406
  H     -2.57321899     -1.09150588      5.99642872
  H     -3.23452484     -1.73667531     -0.27256461
          69
 Energy    -248.71747475369722     
  O     18.08476734      9.13290741    -10.60784132
  H     17.70024835      8.32891336    -10.23378826
  H     17.83372750     12.59813590    -11.06636445
  O     14.11394020      9.60810498    -11.21653544
  H     17.41058167      9.56951126    -11.14217244
  H     19.38734974     10.19427885     -7.90288320
  O     21.36269065      6.88131644    -11.95957187
  H     14.53521075      9.91356474    -10.39147583
  H     18.87947130     10.13002012     -9.36780300
  O     15.40714898     10.51190387     -9.04847395
  H     13.21569925      9.92620202    -11.20075079
  H     20.07959162      9.81794230    -12.90656215
  O     18.15961137      5.23473711    -14.39011259
  H     21.95961436      7.27765346    -11.31353760
  H     19.23519621      8.96357982    -11.93115989
  O     22.75533144      8.25173306     -9.94298057
  H     20.82862138      7.60628821    -12.31878876
  H     21.21824905      4.11825779    -13.54773531
  O     16.67254343      8.64215700     -7.42801570
  H     15.99513441     11.27287607     -9.09148739
  H     21.11606950      5.61118217    -13.20555638
  O     20.78847286      7.16237404     -8.16484588
  H     15.80988736      9.88565884     -8.42837291
  H     17.89553188      4.43951986    -12.63814377
  O     19.43017495      8.90415375     -6.59562518
  H     17.93981324      4.73252703    -15.17128677
  H     16.99482269      4.28312195    -11.39798556
  O     17.22236488      6.77409686     -9.43196414
  H     19.12058427      5.14818972    -14.26489786
  H     15.53408625     10.14397032    -12.25990577
  O     17.40645606     12.60587939     -9.20584898
  H     23.67992672      8.35415111     -9.73435860
  H     16.62229742      9.54245775    -13.20110742
  O     18.08951442     12.41518198    -11.97779157
  H     22.39437301      9.14848924    -10.06672105
  H     21.37305557     11.06115097    -11.10292563
  O     19.30872129     10.70828038     -8.71599965
  H     16.78753194      7.89713309     -8.03458458
  H     20.89884084     10.79440752     -9.65939023
  O     19.73549013      8.92860399    -12.76310453
  H     17.53669952      8.76216472     -7.01959021
  H     15.80839966      7.38961365    -12.80025894
  O     20.82315756      4.93727824    -13.83950885
  H     21.50595318      7.53092644     -8.69424362
  H     14.66502690      7.94704679    -11.90998260
  O     17.87905640      4.09405032    -11.73827145
  H     20.37663472      6.48567052     -8.71663154
  H     18.21084060      8.24025957    -13.52923237
  O     16.41333882     10.29369556    -12.63159628
  H     19.75543740      8.82809235     -5.70297569
  H     17.54760976      6.97316753    -14.08168025
  O     21.65346687     10.69606621    -10.25568141
  H     19.90482747      8.23605244     -7.12292672
  H     20.90961117     12.22710604    -13.36814281
  O     15.02618265      7.13821871    -12.29341203
  H     18.07275220      6.34983730     -9.61341437
  H     19.68584332     11.96112544    -12.45999787
  O     17.35401124      7.87309550    -13.78980596
  H     16.54179384      6.18746004     -9.78125006
  H     15.19349247      5.74614357    -11.31570940
  O     20.55656593     11.61497878    -12.72855058
  H     17.44415353     13.35516632     -8.61658045
  H     14.57845724      4.63555930    -10.42462972
  O     15.40549778      5.02021074    -10.69997208
  H     18.12644035     12.00652252     -8.94340468
  H     19.07601515      4.93087646    -10.68504356
  O     19.60862162      5.55670418    -10.17136464
  H     17.45302210     11.76510887    -12.30779986
  H     20.19723539      5.99405558    -10.79964776
          69
 Energy    -248.71710223394876     
  O     13.59432579      6.04446847    -15.81400164
  H     13.74779190      6.01165791    -14.85993898
  H     19.67729574      6.39375518    -17.01081411
  O     18.52977398      7.25513065    -12.02650769
  H     13.30360989      6.93861409    -16.02350902
  H     17.22276486      9.20885921    -17.71788495
  O     19.10396616      6.88337061    -18.74233110
  H     17.87224532      7.94460060    -12.21713675
  H     18.57952954      8.51219055    -17.98348507
  O     16.48258554      6.23782910    -18.89440693
  H     19.25605959      7.42355096    -12.63713733
  H     16.73504255      8.19258752    -14.45076902
  O     14.46684277      7.82003355     -9.52461767
  H     18.18342160      6.57688866    -18.83691865
  H     17.53652075      8.26113493    -15.77580950
  O     14.26969400      5.95730153    -13.08891374
  H     19.52850187      6.74153616    -19.58389795
  H     13.87501305      9.77287649    -13.62761910
  O     16.64317690      9.03539346    -12.77562982
  H     16.04960344      5.51095222    -18.43143642
  H     14.81966305     10.68000317    -14.45553030
  O     17.27210564      5.05576751    -15.48982561
  H     16.02878710      7.03846710    -18.59671149
  H     16.53372741      4.31117555    -11.24426263
  O     13.65580400      5.21180959    -10.50794743
  H     14.32631627      8.19573441     -8.65958517
  H     16.64997001      3.20958247    -10.16480483
  O     18.94022841     10.28894557    -15.11403715
  H     15.39115351      7.51462218     -9.54945505
  H     13.25019869      9.33643786    -15.76262650
  O     15.16764209      4.36372185    -17.21453353
  H     13.88246537      5.61845135    -12.26795573
  H     12.02696019      9.09624762    -16.67716896
  O     19.77501804      6.17841089    -16.07541080
  H     15.20151366      5.70667264    -13.05992764
  H     20.17514822      7.31491448    -14.81572226
  O     18.16548375      9.24323737    -17.50798434
  H     15.73012288      8.88606590    -12.49717903
  H     21.29773003      8.00787938    -14.01381436
  O     16.84627437      7.77255499    -15.31154263
  H     16.69430944      9.93515282    -13.12149657
  H     17.54880446      5.80160999    -12.52840791
  O     13.95791265     10.25010605    -14.46465313
  H     17.07976155      6.00733263    -15.44497926
  H     17.12209370      4.89006350    -13.71592703
  O     16.28231425      4.07279492    -10.33456141
  H     16.61902462      4.67547400    -16.08831954
  H     16.81623198      5.81520960     -9.74284920
  O     12.89950192      8.77077722    -16.47387609
  H     13.78824702      6.06298377    -10.07274421
  H     17.64453174      6.97390496    -10.33106730
  O     20.34935756      7.96413778    -14.11104465
  H     14.46361426      4.70863510    -10.34121923
  H     14.04126242      8.43685835    -11.23143933
  O     16.96369035      5.07297597    -12.78009910
  H     18.80383295     10.05546478    -16.04501121
  H     14.01244112      7.68322834    -12.58233245
  O     16.97936479      6.76401558     -9.66439470
  H     19.44996540      9.57281900    -14.71835224
  H     17.49325615     11.08371851    -14.55559134
  O     13.99949734      8.56826765    -12.18747355
  H     14.67661405      3.57085172    -17.41035241
  H     16.78342695     12.34307294    -14.00941992
  O     16.65536256     11.41422230    -14.18357908
  H     14.55834312      4.96180612    -16.74273286
  H     14.51320274      8.68934701    -17.44304139
  O     15.44360292      8.50392325    -17.61022239
  H     19.01253071      5.62456537    -15.86072543
  H     15.78441099      8.16916347    -16.76613190
          69
 Energy    -248.71677504566742     
  O     17.33059751     11.34990981    -14.37296716
  H     17.57539033     11.01468538    -13.49763068
  H     11.52467737      6.83096132     -9.24327941
  O     15.81780669      6.26722363    -11.74515141
  H     16.53802186     11.87875602    -14.23490377
  H     14.10764192     12.08038961    -10.61458980
  O     12.51174143     11.30524453     -9.98512540
  H     15.99136136      6.03116264    -12.66527125
  H     15.64682203     12.15004846    -10.42736439
  O     19.51111531      8.04495327    -11.90979060
  H     15.63328489      7.21894079    -11.75893569
  H     16.18775353      9.40631595    -11.84198674
  O     12.61562771      7.14406562    -15.54694528
  H     12.00997654     10.72589546    -10.58681217
  H     14.80645956      9.32816528    -12.55514603
  O     15.98133583      5.86597150    -14.51624501
  H     11.86883421     11.79835550     -9.48203823
  H     17.63579408     10.09304064    -15.51117164
  O     13.98562408     10.05823964    -13.98449607
  H     19.15650751      7.70147711    -12.74983744
  H     18.28511847      9.63650601    -16.84086442
  O     16.57960792      9.07958832     -8.40289748
  H     20.45354818      7.90308178    -11.93317626
  H     17.74215330      6.60718917    -14.37070003
  O     13.38818467      4.66919933    -14.38972074
  H     12.78249462      6.26550400    -15.18410454
  H     18.31602720      7.92795600    -14.92119100
  O     13.95092547      8.94561213     -9.44387407
  H     13.48060891      7.49045631    -15.80322578
  H     11.31316512      8.64308628    -11.09311336
  O     17.76316850      7.04323951     -9.86417712
  H     15.19633308      5.30676036    -14.55479326
  H     11.17256205      9.35036676    -12.46170976
  O     11.93083599      7.17739970    -10.03449049
  H     15.71661998      6.70774361    -14.91701552
  H     12.67992006      5.89639490    -11.22956889
  O     14.91784772     12.46015036    -10.97709531
  H     13.03501255      9.92592345    -14.08059923
  H     14.12934640      5.56903584    -11.63539202
  O     15.32440591      8.97401036    -11.82126102
  H     14.17513868     11.00442829    -13.94891627
  H     11.72893168      8.39946031    -14.73917115
  O     17.77619492      9.32665952    -16.09697599
  H     15.63672021      8.94413906     -8.55530532
  H     10.63741456      9.47961090    -14.90281953
  O     18.47614462      7.22646208    -14.27773140
  H     17.03387168      8.33813505     -8.83138334
  H     17.64297958     12.00635332     -8.82658394
  O     11.17505468      9.50312093    -11.50954912
  H     13.08629666      3.77606059    -14.52999944
  H     16.96253222     10.62929725     -9.01840307
  O     13.20788045      5.30652010    -11.77724278
  H     13.25066593      4.86676999    -13.44503860
  H     16.05816464      8.61646629    -16.00449128
  O     11.33511216      9.18719409    -14.32216850
  H     14.46245729      8.94120720    -10.26967442
  H     14.83305535      8.93077852    -15.11532882
  O     17.15508952     11.48031798     -9.45399869
  H     13.47819187      9.78706190     -9.43522342
  H     14.63013043     13.56694544    -13.89266733
  O     15.20493625      8.26964601    -15.71759830
  H     18.44921854      7.32804303    -10.47878285
  H     14.92321511     12.63856286    -12.68979704
  O     14.87592742     12.67531756    -13.66302408
  H     17.10503956      6.59991503    -10.41608762
  H     17.74070569     10.71347650    -11.02899620
  O     17.81708354     10.26291596    -11.87954331
  H     12.68499093      7.71876940     -9.74485858
  H     18.46952796      9.55447914    -11.80182793
          69
 Ord_Energy   -248.716614    
 O   -6.55842113      0.973054469       6.26136351    
 H   -6.74030447      0.669694126       5.36308908    
 H   -7.08139133       1.77820408       6.36120939    
 O   -4.41383266       1.54656601       3.35399246    
 H   -4.03580379       2.20017219       2.75427580    
 H   -4.18964195       1.82516599       4.25103092    
 O   -3.49390888       3.55447054       1.59194505    
 H   -3.05434084       4.28538465       2.06337643    
 H   -2.98927903       3.39782834      0.798367083    
 O   -8.70434570       7.91375971       2.20948505    
 H   -9.47149372       8.27683449       1.77477324    
 H   -8.98580456       7.07579470       2.62033129    
 O   -7.87360811       7.52680063       7.00686359    
 H   -8.56326771       6.87224817       6.84731627    
 H   -7.73775482       7.98691940       6.16619730    
 O   -5.48005104       6.96742153       8.07823467    
 H   -6.36867952       7.20701218       7.75569534    
 H   -5.48699760       7.07115889       9.02565956    
 O   -3.63386655       8.18850517       6.24493265    
 H   -4.23297691       7.87230635       6.93213844    
 H   -3.03372049       7.45508146       6.06070089    
 O   -6.09707069       4.58996296       1.86308777    
 H   -5.99652529       5.14086390       2.65477157    
 H   -5.23369551       4.19360638       1.68949401    
 O   -6.27331877       7.24262238      0.839980543    
 H   -6.26472569       6.28312874      0.954162836    
 H   -7.11426687       7.53374767       1.21284306    
 O   -4.10961056       2.27218580       6.08241940    
 H   -4.86065149       1.68693161       6.25709915    
 H   -4.44818544       3.17157245       6.18683290    
 O   -4.72203493       9.77745533       4.33693314    
 H   -4.30233002       9.24439907       5.03747368    
 H   -4.41268682       10.6722641       4.44884205    
 O   -6.92535114      0.569526970       3.42863178    
 H   -6.00646925      0.884297490       3.33550072    
 H   -6.98733234     -0.248725757       2.94388342    
 O   -9.68967056       5.44514322       6.34134865    
 H   -9.02547646       4.73455572       6.31702042    
 H   -10.4497900       5.09606314       6.80009460    
 O   -2.42633462       5.64910364       2.88622594    
 H   -2.33688450       5.66585970       3.84692621    
 H   -2.84824944       6.48138952       2.63192940    
 O   -5.16845417       4.86788321       6.29606056    
 H   -5.26112413       5.50479412       7.01767254    
 H   -5.36089945       5.33553648       5.46554661    
 O   -5.70737028       6.25492954       4.05775118    
 H   -6.36515284       6.93031168       4.26476288    
 H   -5.01219559       6.70674896       3.56001997    
 O   -2.44813848       5.65297222       5.71896601    
 H   -1.92341757       4.87605190       5.96127224    
 H   -3.35902095       5.40514851       5.91769838    
 O   -7.26049376       8.55391026       4.51336193    
 H   -7.75993872       8.51002026       3.68759155    
 H   -6.47288847       9.09671688       4.37798405    
 O   -9.41116905       5.62910318       3.48547602    
 H   -9.60790253       5.65662146       4.42914438    
 H   -9.05008030       4.75023317       3.31569076    
 O   -7.98228168       3.16639066       3.27747416    
 H   -7.33701801       3.59563112       2.69580269    
 H   -7.76816416       2.22488618       3.26972413    
 O   -7.70111275       3.60347581       6.01516294    
 H   -6.84737921       4.02339458       6.17584419    
 H   -7.77067757       3.45606589       5.05907583    
 O   -4.07363081       7.82409573       2.39658952    
 H   -4.79601669       7.73723650       1.75473738    
 H   -4.23168993       8.61733246       2.92141247    
 O   -1.47249651       3.14352989       6.34333134    
 H  -0.814732015       2.46969295       6.19143391    
 H   -2.33145785       2.69449472       6.29583979    
          69
 Energy    -248.71659851001326     
  O     14.82743018      9.23838129    -15.97308554
  H     15.46249702      9.42507063    -16.67628880
  H     14.88978478      3.44264056    -17.11947838
  O     13.30548096      4.15894996    -16.27112782
  H     15.34585780      9.03213128    -15.18815192
  H     21.02545396      3.80177345    -15.79681609
  O     17.66827040      5.98946389    -12.04660991
  H     13.51695626      5.08554918    -16.48381681
  H     19.99541802      4.68791367    -16.53967477
  O     19.43563336      5.46480393    -17.97568589
  H     12.42395526      3.99496325    -16.59712362
  H     18.01905347      8.52212131    -17.44353463
  O     17.07898196      4.68165533    -19.38488016
  H     17.16553471      6.69127538    -12.47217438
  H     18.86119202      8.32700653    -16.14788529
  O     13.99045055      6.33853418     -9.76463929
  H     18.54270079      5.99060875    -12.46510208
  H     17.45261440      6.61787605    -16.30908424
  O     13.96671771      4.44955820    -13.52787686
  H     18.67406140      5.17773590    -18.49392834
  H     17.06912165      5.23010972    -15.69169567
  O     16.40795709      7.97582406    -13.78792383
  H     19.28533554      6.39637999    -17.76183143
  H     14.79939490      2.92378330    -10.50223293
  O     17.54288812      3.47385290    -15.40651705
  H     17.12239964      4.16886311    -20.18827283
  H     15.61889502      1.75139875     -9.90859101
  O     13.31809662      3.78545357    -10.86690959
  H     16.57722108      4.14864496    -18.74244442
  H     14.17936677      7.56875701    -16.48812819
  O     18.97055094      8.81484183    -14.35848642
  H     13.75118073      6.80418700     -8.96817961
  H     15.13794145      6.37035341    -16.46519600
  O     15.74825665      3.24872094    -17.51106844
  H     14.89649883      6.00519423     -9.63533585
  H     20.07506997      5.58649803    -14.28820536
  O     20.21459164      4.28928947    -15.67777663
  H     13.71532483      4.27127096    -14.44069220
  H     19.78604760      7.06516418    -13.91600095
  O     18.63198795      7.92421799    -16.99485363
  H     14.86534595      4.11606368    -13.39848672
  H     16.34670963      3.08935634    -12.04722211
  O     16.78378772      6.14516434    -15.79760787
  H     16.50680876      7.28993209    -14.46827532
  H     16.96025704      4.41561128    -12.56852032
  O     15.70159828      2.57658641    -10.37792980
  H     15.59182387      7.77951164    -13.29847281
  H     16.99954376      5.55691863    -10.35719961
  O     14.25561746      6.64528588    -16.76266640
  H     18.49841578      3.60910032    -15.42070311
  H     16.34499220      4.30243981     -9.74040485
  O     19.93773534      6.18801723    -13.54627355
  H     17.26062821      3.37635626    -14.48577554
  H     15.00648644      6.90432260    -18.47876686
  O     16.56137653      3.57895872    -12.85050645
  H     13.37660393      4.64839205    -10.43723794
  H     16.14812571      6.31792811    -19.33426299
  O     16.47771029      5.24832567     -9.60365486
  H     13.35812562      3.96223275    -11.81701806
  H     14.11779702      6.93020429    -11.55431338
  O     15.63025918      7.11838900    -19.18518931
  H     18.06123306      8.63181958    -14.06766442
  H     14.07283528      6.20407817    -12.91459459
  O     14.25996567      7.05715202    -12.49955327
  H     19.25819716      9.59371877    -13.88843072
  H     16.27354497      8.63445423    -18.65814008
  O     16.63989462      9.42816834    -18.22555933
  H     16.37340424      3.17499825    -16.77533586
  H     16.60889327     10.13176564    -18.86810425
          69
 Energy    -248.71649258265543     
  O     -0.70775403      0.17489479      4.67582098
  H     -0.32001925      0.98963930      4.33377214
  H     -2.49202931     -0.83756757      0.68350340
  O     -1.12098860      4.28314084      5.06503883
  H     -0.45411594     -0.53182868      4.06587802
  H      2.52241003      0.05098169      2.04391765
  O     -5.79482464     -1.98973684      2.50817715
  H     -0.89505821      5.08235307      5.53279097
  H      3.08203893     -1.15861705      1.25778323
  O     -4.92489155     -1.75360070      5.13867490
  H     -1.55371227      3.69250262      5.70796987
  H     -0.75363259      1.70824622      0.68104719
  O     -2.74100448     -2.96541218      6.49621959
  H     -5.66532484     -1.99867030      3.46785437
  H     -2.20079620      1.72077369      1.18239878
  O     -0.07963548     -1.72709440      2.75845962
  H     -6.02352274     -1.08229897      2.28013777
  H     -0.48602873     -0.41095989     -0.06521488
  O     -1.88868332     -3.48593089      3.98753645
  H     -4.36446604     -1.10678709      4.67734781
  H      0.93431329     -0.01401721      0.36249636
  O     -2.07280004     -0.23696523      7.04422513
  H     -4.31589538     -2.30979964      5.63899239
  H     -2.36742005      4.16641037      3.62190896
  O     -2.41281916      2.63394138      6.76350975
  H     -2.38380176     -3.18234862      5.61544192
  H     -2.42605950      3.51551649      2.22592379
  O     -5.26700606      2.76506234      6.61767941
  H     -2.65815774     -3.75337901      7.02653049
  H      3.43282909      2.22346160      3.09222257
  O     -4.89770422      0.17408259      7.18033309
  H     -0.69959416     -1.64351829      2.01918837
  H      1.92046133      1.94284407      3.12265761
  O     -1.89065681     -1.59473349      0.62346123
  H      0.79161357     -1.50376440      2.40983785
  H     -3.84597783      0.99651422      4.01707834
  O      2.27265522     -0.75534820      1.56029176
  H     -1.14502935     -2.98412878      3.62947951
  H     -2.47267649      0.25162959      4.21467307
  O     -1.37361967      2.22058059      1.22090907
  H     -2.53037217     -3.55232616      3.27025546
  H     -4.01095734     -4.30990329      1.35105366
  O      0.15072183      0.31449303     -0.09331972
  H     -2.26322289     -1.18352121      7.00929157
  H     -4.43292371     -2.95316869      1.95394879
  O     -2.97043840      3.92895808      2.90683127
  H     -1.47959268     -0.08392696      6.29310091
  H     -5.20097203      2.63191546      4.76984125
  O      2.78228661      1.55254937      2.90328466
  H     -3.37087799      2.75083699      6.76806083
  H     -4.37373577      3.02485641      3.49467342
  O     -3.37632757      0.16123243      3.88867202
  H     -2.24778852      1.71091716      6.98661786
  H     -7.08514174      1.25306827      1.60997280
  O     -3.66371069     -3.50224354      1.72134781
  H     -5.23896993      1.82155114      6.86533017
  H     -5.93158490      1.41737712      2.62195372
  O     -5.03872921      2.41081228      3.84505995
  H     -5.86164142      3.19416029      7.22639460
  H     -0.12119109      3.17479069      4.00820488
  O     -6.28375580      0.84100526      1.92273246
  H     -5.16439172     -0.49141427      6.53379959
  H     -0.30253797      2.40929545      2.65858020
  O      0.25679701      2.48675947      3.44623039
  H     -3.93912182      0.07314591      7.25120305
  H     -3.44158592      0.27381399      2.12787339
  O     -3.57287300      0.50812427      1.19371834
  H     -2.42957316     -2.35743891      0.86798700
  H     -4.51843439      0.66566221      1.11374938
          69
 Energy    -248.71644738418630     
  O     12.27365248     12.10046955    -15.40134296
  H     12.83712815     12.21441371    -14.62887773
  H     18.44469547      8.91107938    -12.27249979
  O     15.37071252      7.48391177    -13.35792613
  H     11.55419574     11.52222783    -15.10532911
  H     17.93788944      9.88360554    -15.74671084
  O     16.07226470     11.33591658    -11.47006443
  H     15.18665279      8.29678650    -13.85505475
  H     16.93816278     10.71265590    -16.61844156
  O     13.12657508      8.71092087    -16.79742348
  H     15.94721395      7.74565226    -12.62697213
  H     14.27494384      9.47449649    -15.50057762
  O     12.42026059      9.96332060     -9.18332554
  H     15.25786597     11.50606578    -11.96797243
  H     15.69536097     10.05032883    -15.17309756
  O     12.74527565      7.45924395    -12.49538045
  H     16.79782502     11.62955497    -12.03338615
  H     10.64548582      9.36429387    -14.58160128
  O     13.84791874     11.62075105    -13.04086251
  H     13.83360252      8.25248303    -17.27197548
  H     10.79153962     10.31571492    -13.39216546
  O     16.66745903      6.85274135    -15.78576994
  H     12.99986154      9.56832875    -17.22650797
  H     15.43089626      8.96035616     -8.81514482
  O     12.93141341      7.17882719     -9.73690141
  H     13.29611926     10.33781373     -9.02777479
  H     14.70888509      7.65760183     -9.21239003
  O     19.01443252      8.38841319    -15.42366816
  H     12.54454599      9.00631580     -9.21985189
  H     12.00240653      7.95024023    -15.64815354
  O     15.38310447      7.64729101    -18.01473902
  H     12.21973569      7.40041903    -13.30269692
  H     10.83600819      6.96077682    -15.43209408
  O     19.11081038      9.26576884    -12.87840073
  H     13.67259723      7.37993442    -12.76381239
  H     17.77895556     11.55587253    -14.25040852
  O     17.35083153     10.65108159    -15.74322884
  H     13.11289103     11.18567386    -12.58455839
  H     18.51461234     12.73427475    -13.57727595
  O     14.85908557      9.75840311    -14.78805085
  H     14.19111462     10.97341627    -13.67703418
  H     16.56991659      9.53187592    -11.41661871
  O     10.49062052     10.27549344    -14.31123227
  H     17.52164343      7.28530264    -15.66107568
  H     16.54768069      8.28315998    -10.50302082
  O     15.57867648      8.02715571     -9.01589614
  H     16.22366435      6.88641588    -14.92860025
  H     15.49300721     11.10828939     -9.76580478
  O     11.39573594      7.58826444    -14.98062810
  H     12.82219844      7.20325556    -10.70103663
  H     15.45938317     11.52056290     -8.27950811
  O     18.07348093     11.90827876    -13.39360749
  H     12.45110784      6.41387779     -9.42870821
  H     15.77276992      9.53504260    -18.14262125
  O     16.88295845      8.61985578    -11.34608411
  H     19.10531471      8.62085669    -14.48157860
  H     15.00338592     10.86590763    -17.99834104
  O     15.13215895     10.87037865     -8.89673324
  H     19.89045973      8.19181536    -15.74439702
  H     12.18531879      9.21061299    -12.09025319
  O     15.89063798     10.48625445    -18.02679270
  H     15.85355908      7.32382767    -17.22463189
  H     11.92873706     10.17190170    -10.90573581
  O     11.86209116     10.09345645    -11.86757162
  H     15.53738084      7.01065244    -18.70712413
  H     12.85755881     11.67180566    -16.94736699
  O     13.14853310     11.30925374    -17.80504642
  H     18.92607150     10.21006084    -12.94392181
  H     12.67126596     11.78664570    -18.47808922
          69
 Energy    -248.71641042709172     
  O     15.95916686     12.19406923    -17.87252303
  H     15.96288931     11.45455574    -18.47527770
  H     18.28534246     13.66251520    -16.79531551
  O     20.05913858     17.32198029    -14.45481029
  H     16.84579709     12.58649642    -17.92683516
  H     21.78427431     14.66452877    -14.03258684
  O     19.04952294     10.87834332    -14.24765806
  H     20.08926067     17.96813974    -13.73907724
  H     20.87233758     15.87653950    -13.71386431
  O     16.16131486     16.26703872    -12.64329901
  H     19.12426202     17.16850005    -14.65475140
  H     17.09442294     15.06050646    -11.61522788
  O     17.01906060     17.16163829    -17.74852661
  H     18.12689066     10.65731676    -14.08655650
  H     18.00520645     14.86656666    -10.37178159
  O     15.64176106     12.44163374    -11.70074101
  H     19.23185329     11.62778923    -13.66154175
  H     15.61134411     11.80387348    -14.74647873
  O     14.21498589     14.31187663    -13.38634340
  H     16.57209002     16.52189258    -13.48290595
  H     15.44597804     12.43534160    -16.16994602
  O     20.50126566     11.99736500    -16.34112313
  H     15.41576960     15.69723609    -12.86688612
  H     21.54442724     15.38992977    -16.46006100
  O     22.30732998     13.86761374    -15.62671265
  H     16.27720692     16.94307261    -18.30847517
  H     20.79703560     16.67759391    -16.03867545
  O     17.69708483     18.00218399    -10.99805555
  H     17.79316143     16.75247674    -18.16325471
  H     20.88342353     17.41865885    -11.29511877
  O     19.28778446     13.29571913    -12.90493941
  H     15.02358223     13.04397098    -12.13079989
  H     21.32177852     15.98248595    -11.64449096
  O     18.44247843     13.40481492    -17.71809497
  H     16.32955406     13.01011469    -11.32858320
  H     19.12975841     18.65305944    -11.76314645
  O     21.32705555     15.11978369    -13.31432522
  H     14.54661683     13.75247806    -14.10920114
  H     20.10711474     19.83553851    -11.96651551
  O     17.53462587     14.39350746    -11.06861090
  H     13.27424242     14.40017959    -13.51965212
  H     19.78467876     16.17407276     -9.84139074
  O     15.34696455     12.60400525    -15.22189486
  H     19.84180368     12.35157481    -16.94860450
  H     19.21747349     16.01954493     -8.40896270
  O     21.07106824     16.15666545    -16.80492510
  H     20.01426796     11.50618636    -15.66318612
  H     15.92002850      9.69284195    -13.28288482
  O     21.10583982     16.56446057    -10.90402142
  H     21.67500359     13.16634271    -15.86768869
  H     16.07130442     11.15881824    -12.81619219
  O     19.98966280     18.90644059    -12.14448173
  H     23.17741602     13.52620025    -15.81445438
  H     18.32123183     13.70870696    -14.38703717
  O     18.96765747     16.03584828     -9.32846514
  H     17.05163174     17.51101537    -11.52218146
  H     16.93515346     13.52653964    -15.08604629
  O     16.23517459     10.54962779    -13.55880999
  H     18.01428208     17.39231523    -10.32013664
  H     19.96490856     16.00593151    -18.09326229
  O     17.76576795     14.01770236    -15.11468788
  H     20.04296019     13.89431552    -12.97587936
  H     19.74089031     16.05416297    -19.62309240
  O     19.30038236     15.87832830    -18.79616909
  H     18.71786425     13.62896558    -12.19973410
  H     17.56293303     15.74758018    -15.09152943
  O     17.43500486     16.70941029    -15.05422231
  H     18.73059457     14.19936734    -18.18145899
  H     17.21442736     16.99096244    -15.95162894
          69
 Ord_Energy   -248.716309    
 O   -1.94780433       2.91260314       2.01718950    
 H   -1.61259973       2.50273442       2.82471848    
 H   -1.25561142       3.52403736       1.74286032    
 O    2.05887890      -4.34294558       2.79899216    
 H    2.89323068      -3.97504139       2.45627308    
 H    2.22633123      -5.25761223       3.00930595    
 O   0.472408086       4.37386322       1.43728244    
 H   0.729595661       5.28080750       1.58440495    
 H    1.05325711       3.82462978       1.98842132    
 O    4.22372627      -3.03102779       1.79421532    
 H    4.03821039      -2.73607779      0.893525541    
 H    4.21562052      -2.23632121       2.34416080    
 O    3.15484858      -1.81138325     -0.569430470    
 H    2.93800688      -1.53960907      -1.47095168    
 H    3.15578437     -0.993937373      -5.65842390E-02
 O   0.918556571      -3.31950068      0.362409860    
 H    1.69719207      -2.86501741       1.45287998E-02
 H    1.19740391      -3.74649477       1.17835128    
 O   0.324244052       2.75968027     -0.882085919    
 H    1.21244454       2.55721426      -1.21390641    
 H   0.408546507       3.41782022     -0.184112355    
 O    2.34734845     -0.606735766      -2.98627281    
 H    2.62788987     -0.769656837      -3.88296676    
 H    1.37289894     -0.585529089      -2.99998879    
 O    1.17823565      -2.00054502       4.07485580    
 H   0.418585896      -1.67944944       3.56802297    
 H    1.39028788      -2.88277817       3.74475503    
 O   -3.45991039       1.37278485      0.365952849    
 H   -2.91125250       1.92781413      0.948142290    
 H   -4.25121593       1.87551641      0.185317650    
 O    3.53004646     -0.728630662       3.31692576    
 H    3.68925810      -1.34173501E-02   3.94297886    
 H    2.71476412      -1.17024910       3.60054851    
 O  -0.345869422     -0.560108542      -2.93868613    
 H  -0.896551549      0.224450201      -2.81090808    
 H  -0.693421125      -1.21393239      -2.31683373    
 O    2.83243346      0.560320795       1.00189018    
 H    3.09844875       7.80131221E-02   1.79864860    
 H    1.89987576      0.364177465      0.806314170    
 O   -1.15869784      -1.96412170     -0.711399496    
 H  -0.503063917      -2.55420899     -0.304495364    
 H   -1.91005802      -1.88910377     -0.115261517    
 O    1.98145723       2.53796959       2.86152434    
 H    2.52121854       2.34651899       3.63927150    
 H    2.30384588       1.95737743       2.16001225    
 O   -1.88285077       1.62221551      -2.11488461    
 H   -2.44336367       1.47195113      -1.34709454    
 H   -1.15473318       2.17497683      -1.79530382    
 O    1.17753279      0.193781927       5.89072609    
 H   0.478224695      0.710516274       5.46898127    
 H    1.15471017     -0.671933532       5.46196270    
 O    3.39950275       1.50394845       5.07570744    
 H    2.63493872       1.05321646       5.47948647    
 H    3.94483566       1.82199943       5.78976202    
 O  -0.887586176     -0.780957103       2.66285825    
 H   -1.75164139      -1.07023394       2.35022163    
 H  -0.449246019     -0.398547262       1.88624537    
 O   0.206828475      0.253669888      0.378085941    
 H   0.107351080       1.10019422      -7.60578737E-02
 H  -0.198153794     -0.430967748     -0.170155153    
 O  -0.476298690       1.58284914       4.04152250    
 H   0.336426765       1.90023863       3.62547278    
 H  -0.689319432      0.735738695       3.62021017    
 O    2.81833863       1.83490181      -1.56064498    
 H    2.71352625       1.05698216      -2.12438297    
 H    3.05918670       1.49482548     -0.690347433    
 O   -3.22533846      -1.27166188       1.16448963    
 H   -4.09593105      -1.64673162       1.27039003    
 H   -3.34726381     -0.354143322      0.868103921    
          69
 Energy    -248.71629601457849     
  O     14.07568348     13.00333124    -14.46670563
  H     13.64368296     12.45501229    -15.12876423
  H     16.83459596     10.06973031    -14.19186454
  O     17.53269754      6.83012216    -13.55929529
  H     14.93843457     13.24482396    -14.83471801
  H     15.13977508      8.56780389    -18.48673498
  O     18.79694744     11.37434626    -11.98294554
  H     16.73830790      6.31245333    -13.38091915
  H     16.14214197      8.48830772    -19.66247304
  O     15.03237132      5.44357897    -13.23535032
  H     17.52539324      6.99811352    -14.50924506
  H     15.79978345      9.40597762    -12.07580794
  O     15.38101691     10.68487449     -8.92994805
  H     18.72043411     10.41747348    -11.89009602
  H     15.86894493     10.92478448    -12.30877554
  O     13.92897046      6.92783105    -11.27959431
  H     17.99820103     11.76017095    -11.59750690
  H     14.21154284     11.05893850    -16.67951225
  O     13.79763034     13.32369874    -11.83451188
  H     14.92125036      4.51638618    -13.04374435
  H     13.31304058     10.42264317    -15.57755116
  O     13.54325874      8.44066302    -17.76931852
  H     14.59514859      5.93453523    -12.51641908
  H     19.44974400      8.07760154    -11.40159288
  O     16.09662591      8.46186754    -10.47900404
  H     15.26966400     10.83481264     -7.99550201
  H     18.27362956      7.90883690    -12.38698366
  O     17.06539314      7.69527041    -16.24513793
  H     14.50151409     10.78222103     -9.34275394
  H     12.44025446      9.11375725    -12.74889381
  O     14.45292160      7.06801847    -15.44616246
  H     13.21836738      7.56729178    -11.39899461
  H     11.07372459      8.84278510    -12.07721225
  O     17.37687968     10.09352728    -14.99222493
  H     14.67336089      7.41144687    -10.89326354
  H     18.98974756     12.05283989    -13.56788450
  O     16.07507381      8.68742517    -18.73272912
  H     13.41911918     14.18816396    -11.69859848
  H     19.86223979     12.62499117    -14.71070222
  O     15.72307334     10.08394620    -12.75851981
  H     13.85792509     13.19744692    -12.79968010
  H     16.07274462     11.81811320    -10.25595554
  O     13.29494965     10.96813146    -16.37838958
  H     13.26406685      9.29195734    -17.40931900
  H     15.51229633     12.79547910    -11.31952718
  O     18.62554808      8.47324048    -11.67518568
  H     13.67087388      7.85476356    -17.01152944
  H     16.44328665     10.75936240    -16.39775871
  O     11.99986483      8.97804316    -11.89219415
  H     15.95168592      9.18052777     -9.84945741
  H     16.09536828     10.40236667    -17.85581202
  O     18.98302535     12.31953417    -14.50472398
  H     17.03421760      8.44040060    -10.71098859
  H     13.21120723     11.81170974    -10.85651306
  O     16.29147937     12.27726502    -11.07814504
  H     17.26120666      8.54135572    -15.81055328
  H     12.66700045     10.35784095    -10.80356459
  O     15.99687008     11.09273991    -17.19069680
  H     16.87910155      7.90899244    -17.16710919
  H     17.37861505     13.17405353    -15.23859285
  O     13.08965994     11.04753008    -10.27802553
  H     14.54124957      6.40598642    -14.74950596
  H     16.40846890     12.79368907    -16.37293443
  O     16.54639997     13.42571930    -15.65484828
  H     15.35406226      7.27091575    -15.73667466
  H     13.78789857      8.50165244    -14.57829292
  O     13.49740588      9.31421089    -14.14106212
  H     18.02544093     10.79912787    -14.87945259
  H     14.26703221      9.67625705    -13.67652361
          69
 Energy    -248.71619209456617     
  O    -10.22834820     -2.21614471      2.40153210
  H     -9.43091510     -2.65294616      2.74973608
  H     -2.89155657      1.21888442      2.16308077
  O     -7.91047358     -3.31305413      3.27235915
  H    -10.84091225     -2.90996903      2.17156965
  H     -8.50872820      0.23795441      3.03218786
  O     -5.24622341      1.36737940      0.00763092
  H     -7.35770211     -3.14914511      4.04371454
  H     -7.12431580      0.21492164      3.73032000
  O     -6.53863736      0.14080078      5.48928166
  H     -7.38951158     -2.99995851      2.51727924
  H     -5.48164260     -3.19400774      5.82770882
  O     -4.52745149      5.50011652      2.21790826
  H     -5.68513745      0.66480906     -0.48385230
  H     -5.27721316     -2.34435688      4.55075505
  O     -9.84032114      2.04316033      0.46725884
  H     -5.95725541      1.86660966      0.44066806
  H     -1.91709255      3.08772581      2.76652623
  O     -9.14071882      0.91451338      6.17616442
  H     -7.40945132      0.32045825      5.86596648
  H     -0.63547018      2.55968081      2.07526017
  O     -4.34595850     -1.86426544      3.17762948
  H     -6.36665649     -0.80876441      5.54338630
  H     -9.61901034      3.26171609      4.13533227
  O     -3.63871383      3.69270667      0.37401766
  H     -4.26556559      4.88756512      1.50748946
  H     -8.14348798      3.63910847      4.43252434
  O    -10.30452154      0.21116895      3.69077404
  H     -4.44246711      6.38110406      1.86338646
  H    -11.99388739      2.87839821      3.11573227
  O     -6.86732655     -0.72256436     -1.11956182
  H     -8.93729606      2.33762706      0.65095647
  H    -10.88355224      1.80333419      3.18951623
  O     -3.70911449      0.71829016      2.27588674
  H    -10.36335620      2.37950645      1.20317567
  H     -6.49610117     -1.66135377      0.45917419
  O     -7.55844223      0.21752300      2.86764483
  H     -9.52317878      1.07425557      7.03463367
  H     -6.84863723     -1.14328923      1.86901938
  O     -5.91467804     -2.56577320      5.25601806
  H     -9.04496074      1.78484477      5.74338706
  H     -9.64963693     -1.14087504      0.73808513
  O     -1.58681322      2.55339356      2.02170823
  H     -3.96767894     -1.00037083      2.97158543
  H     -9.62060950      0.28865928      0.12866010
  O     -8.93445663      3.23801342      4.81485382
  H     -4.98052975     -2.02224244      2.46382786
  H     -3.34641740      4.63490761      3.48992175
  O    -11.06459863      2.73139718      2.95696575
  H     -2.84706044      3.32347537      0.78528224
  H     -3.45887754      3.36029417      4.34596782
  O     -6.46249599     -1.89548817      1.39243974
  H     -4.15766872      2.93511021      0.07605939
  H     -5.34470137      1.42470807      4.96403921
  O     -9.34618146     -0.63031727     -0.01684708
  H    -10.38133240     -0.69368021      3.35837700
  H     -4.48151982      1.58023230      3.68508076
  O     -2.82144910      3.98625569      3.97552100
  H     -9.99634068      0.20470413      4.60579503
  H     -7.36346344      1.69963866      1.90860782
  O     -4.83648809      2.06188254      4.44649824
  H     -6.93606304     -1.01343276     -2.02481562
  H     -7.05263785      3.19885731      2.08836686
  O     -7.26052337      2.53311607      1.42251092
  H     -7.77833572     -0.67008082     -0.77534024
  H     -5.93676225      4.72792362      3.17923167
  O     -6.52845329      4.09704289      3.60756767
  H     -4.23715814      0.85813532      1.47754472
  H     -5.96155287      3.38825007      3.94952183
          69
 Energy    -248.71587538310627     
  O     14.30763013     10.37123906     -8.87812893
  H     14.27259911      9.99887356     -7.99983398
  H      9.92311396     13.04758695    -11.95987053
  O     10.57506348     11.54398607    -14.61384235
  H     13.39852384     10.61531953     -9.11189717
  H     15.19725403     13.75977603    -15.45485849
  O     14.60276399      8.75450919    -11.26071600
  H     10.59991938     12.22355761    -13.92494890
  H     16.67926536     13.37142212    -15.44581915
  O     17.93978802     13.70636364    -14.02409707
  H     10.65316673     12.00048160    -15.46086701
  H     13.47771009     14.02881406    -10.51820873
  O     11.81139485     11.09403249     -9.89819581
  H     14.66587270      9.24348721    -10.43314939
  H     13.33323299     12.96789429    -11.62250255
  O     11.89182868      9.13153497    -11.86867495
  H     13.65541939      8.68197928    -11.43860256
  H     10.93931167     14.60448080    -14.08265863
  O     12.90350684     10.14653350    -14.17193723
  H     18.89322003     13.71013559    -14.00793025
  H     11.22592323     14.39771725    -15.58990874
  O     15.13331327     14.83947388    -10.09610108
  H     17.65187074     12.95801902    -13.47127007
  H     13.77002769     11.48696353    -13.33429800
  O      9.33002238      9.80187766    -12.67416058
  H     11.86748308     10.43123856    -10.60505520
  H     15.12441077     12.07059313    -12.80645816
  O     14.05217804     14.61677593    -14.37236817
  H     12.16909920     11.93312622    -10.22928639
  H     10.71440633     13.13905401    -17.76093860
  O     13.71728463     12.15676128    -17.45546927
  H     12.32031176      9.41700353    -12.69135031
  H     12.06845895     12.72670322    -17.14378403
  O     10.55492527     13.46965878    -12.55412652
  H     10.94522156      9.14792028    -12.06590340
  H     15.68802462      8.93140634    -12.61843978
  O     15.84461559     13.18213183    -15.88838736
  H     13.58827409     10.16509245    -14.85224974
  H     16.85271311      8.28967450    -13.40339757
  O     12.83996504     13.43319818    -10.92597678
  H     12.11177872     10.60943746    -14.48231119
  H     15.66615143      9.91602435    -14.96540973
  O     11.37296267     14.99936638    -14.84940727
  H     15.48582463     15.06341596    -10.97684530
  H     15.49449596     11.29604871    -15.66344342
  O     14.18584204     12.25657823    -12.92655323
  H     15.31884585     15.58512325     -9.53182376
  H     16.77830098     11.80401866    -11.56991376
  O     11.16247627     13.00727851    -16.92914557
  H      9.09554954     10.46269043    -12.01183484
  H     16.85363852     10.74750088    -12.73915349
  O     16.32870835      9.08399674    -13.33626815
  H      9.60926148     10.30106241    -13.45291735
  H      8.59726884     11.97220363     -9.90382892
  O     15.19521420     10.37555889    -15.67139362
  H     14.02072606     13.78675607    -13.87316491
  H     10.04932740     11.56511766    -10.23619074
  O     16.92809374     11.68438676    -12.52178600
  H     13.13988182     14.87206718    -14.56137712
  H     15.31434608     15.30221007    -13.21944748
  O      9.20758348     11.84943727    -10.62692686
  H     14.44499240     12.71260954    -17.14613337
  H     16.79274509     14.93915728    -13.03047901
  O     16.04853329     15.36523012    -12.59168617
  H     13.99380251     11.27124212    -17.20032118
  H     15.87291176     13.09035069     -9.90389493
  O     16.22748896     12.19389389     -9.95519603
  H     11.34955730     13.61160910    -12.02101078
  H     15.58593712     11.61558086     -9.52593557
          69
 Energy    -248.71550138231370     
  O     15.98052277      9.79518176    -16.60471088
  H     15.12384139     10.19722798    -16.42525094
  H     18.13008292      7.21353516    -10.76522621
  O     17.08665065     14.07622309    -11.86938541
  H     16.64241661     10.49891012    -16.67887418
  H     19.49337685      8.72933929    -17.13202666
  O     19.76406087      8.85805260    -14.17820341
  H     17.32313078     14.99853231    -11.82986256
  H     20.67743099      9.64100031    -17.52350263
  O     15.69263872      7.20082657    -17.51619292
  H     17.67978531     13.60465180    -11.25626575
  H     16.43551244      8.54828347    -13.65244249
  O     16.39212570     10.99977346     -9.06114419
  H     20.03208450      9.13676747    -15.06137326
  H     16.68168748      8.98348977    -15.13328571
  O     15.11016511      8.48908092    -12.37158974
  H     18.80837798      8.69009636    -14.23616947
  H     12.67808085     10.97290782    -16.32349812
  O     17.28888882     11.94695419    -13.71579071
  H     15.82166274      8.13326172    -17.27651188
  H     13.21109243      9.57264184    -15.93020108
  O     19.82288956      6.15125743    -13.48120818
  H     15.88723166      6.67728352    -16.72625711
  H     16.92896755      9.45978726     -9.95642111
  O     13.96963517      6.33067427    -13.82645938
  H     15.98439518     11.10185571     -8.20530645
  H     16.40065518      8.61211776    -11.14346657
  O     18.90835187      4.96380857    -15.70443710
  H     15.82283672     11.46625673     -9.69959670
  H     13.89266716      7.54365205    -16.76291778
  O     16.36566277      5.90281914    -15.06882263
  H     14.58952995      7.79231233    -12.78777719
  H     13.33731080      7.30925571    -15.34522348
  O     18.62490658      6.40385434    -10.95992650
  H     14.79783239      9.35016398    -12.68813195
  H     18.89556783     11.81074936    -10.85199489
  O     19.98105193      9.53402189    -16.88075169
  H     17.22321217     12.78104219    -13.23382889
  H     17.93362191     12.02769381     -9.67475565
  O     17.04943056      8.47978708    -14.39354857
  H     17.85580863     11.37252212    -13.18182661
  H     19.41825950      9.89057934    -12.72595139
  O     13.36119210     10.52987771    -15.82740100
  H     19.41039809      6.15612788    -12.60717315
  H     18.38454469      9.77788475    -11.56702918
  O     17.17704941      8.77097873    -10.58591284
  H     19.98947620      7.07796877    -13.69807990
  H     14.69800373     11.91385337    -11.73551604
  O     13.21364179      7.83754131    -16.14292295
  H     14.80465055      6.04824754    -14.23914991
  H     15.57243983     13.07599609    -11.23504299
  O     18.56729234     12.48566769    -10.24016594
  H     13.55480559      5.54497229    -13.47873172
  H     17.69397666      7.19783123    -17.70559720
  O     18.93918087     10.39921522    -12.05820679
  H     19.38585207      4.15775346    -15.87750643
  H     18.78967512      6.44984136    -16.92222151
  O     14.97892288     12.37560772    -10.93526339
  H     19.28011828      5.34310289    -14.88577650
  H     14.15783550     10.94020357    -14.20470696
  O     18.62557063      7.23232149    -17.46309053
  H     16.69977430      6.77538519    -14.80562342
  H     15.55765882     11.30658249    -13.60865596
  O     14.66584549     10.99925656    -13.38677889
  H     17.14759652      5.37585078    -15.27089595
  H     18.75000905     10.98757470    -16.53525963
  O     17.99707810     11.58524455    -16.44690087
  H     18.94269583      6.08811964    -10.11671131
  H     17.87900740     11.77396273    -15.50570020
          69
 Energy    -248.71542007373046     
  O     -0.93623759      2.80637312      3.16277735
  H     -1.57906653      2.77141184      2.44289542
  H      0.21397016      8.45187152      1.13260155
  O     -3.48445488      5.67753720      0.85283233
  H     -0.82322805      3.74155245      3.37715631
  H      1.12438687      3.33489606      0.47008179
  O      2.89478248      6.37509271     -0.14045589
  H     -3.33895872      6.24908710      1.61403226
  H      1.53026396      2.00826913      1.14154236
  O      1.87869171      8.14735076      1.80539582
  H     -2.76770839      5.89808383      0.23326585
  H     -1.37811427      4.80327626     -3.32663003
  O     -1.35990647      6.29745175     -0.67394433
  H      3.61447602      5.79411290      0.13913232
  H     -0.59930565      4.01535511     -2.25918516
  O      3.47705352      3.16221577     -1.41307310
  H      2.68064533      6.14216286     -1.05271556
  H     -2.17953378      1.96593631     -2.35199622
  O      0.61641496      5.01644697      0.77008190
  H      2.34534454      7.67480048      1.10330521
  H     -3.09344582      2.71034527     -3.33477506
  O     -2.37510153      7.33809332      2.87168646
  H      2.01840151      7.63221177      2.60794353
  H      3.76949579      4.14316212      2.25538454
  O     -0.91718183      2.60842412     -1.15024730
  H     -1.04707307      7.16843966     -0.37870163
  H      2.71579486      3.32213919      3.04632335
  O     -0.31687719      5.56164255      3.31477776
  H     -1.03288230      6.07150648     -1.54886005
  H     -4.89921243      3.77893350     -1.21774295
  O     -2.73062961      3.00021607      0.96096905
  H      2.76595580      2.76837908     -0.88506918
  H     -4.47441912      5.15033607     -0.67014114
  O     -0.67633691      8.47676642      0.75102985
  H      3.05662442      3.82467136     -1.97318746
  H     -3.71329791      4.99178556     -4.45327810
  O      1.41611218      2.42726480      0.28129996
  H     -0.11323747      5.40092595      0.26590329
  H     -3.75038316      4.73535946     -2.93113700
  O     -0.52826613      4.76611215     -2.86955984
  H      1.40517726      5.53603502      0.56770796
  H      1.64666049      1.01584186      3.54497118
  O     -2.99759712      1.87509419     -2.86223337
  H     -1.66305847      6.71618086      3.09899223
  H      0.65099522      2.11038806      3.09244997
  O      3.23526677      4.13481489      3.05839949
  H     -2.64979991      7.74932221      3.68729390
  H      2.71540365      6.64335059      4.89217846
  O     -4.74670687      4.69576168     -1.47756586
  H     -0.08158555      2.34398899     -0.74518399
  H      2.62198752      5.59719487      3.75706697
  O     -3.20183898      4.63818377     -3.73022972
  H     -1.52296009      2.79436045     -0.41899273
  H      5.69670256      4.32707831      0.57716099
  O      1.56607687      1.78896805      2.99347121
  H      0.46564477      5.88529145      3.77788674
  H      4.38199373      3.87772730     -0.10604206
  O      2.21720073      6.40866552      4.11419826
  H     -0.01020210      5.35199282      2.41846041
  H     -5.35983270      1.20980368     -0.75532723
  O      4.74715852      4.38780767      0.63896441
  H     -3.01121533      3.92568688      1.00910677
  H     -4.15534935      1.79043257     -1.53471100
  O     -4.71572931      1.91231514     -0.74754310
  H     -3.44916100      2.52169316      0.52884431
  H      1.21461640      5.17693425     -2.83250975
  O      2.15711834      5.38513164     -2.72638339
  H     -1.28292135      8.28032207      1.47365628
  H      2.44940389      5.73859837     -3.56376867
          69
 Energy    -248.71539113672338     
  O     12.72162559     10.86428537    -16.42955818
  H     13.21317422     11.63431672    -16.11857814
  H     14.89703408      6.29510455    -17.83504161
  O     15.99637493      7.71429792    -12.90567893
  H     11.89095609     10.88289717    -15.92903536
  H     18.61982909     10.89712875    -12.95986018
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  H     15.86689002      8.50130013    -13.45962540
  H     18.42261596      9.53622612    -12.26921433
  O     16.75647568     13.09778320    -15.00997307
  H     16.46748270      8.03201167    -12.12603518
  H     16.43981370     10.46266673    -17.12978895
  O     13.18570191      8.28309581    -15.46251534
  H     15.29076533     11.72561655    -11.59503800
  H     17.74998244     10.10593974    -16.32402896
  O     12.17121604      9.90889515     -9.60535477
  H     16.77336140     12.13050947    -11.44558636
  H     14.63592676      9.36704031    -14.90023963
  O     13.24433256      7.57701872    -12.78545166
  H     15.81214528     13.25688563    -15.11491492
  H     15.93943303     10.19929558    -15.13780014
  O     14.03931580     11.63007695    -12.86737723
  H     16.96507351     12.36637060    -15.60978607
  H     10.96624002     10.55055538    -13.80391702
  O     16.88393568      6.88601455    -15.44952344
  H     12.89490514      9.11222398    -15.86644453
  H      9.66373548     10.69689386    -14.60530794
  O     12.99893812      7.19649475    -10.04687792
  H     13.66716009      7.77996351    -16.13314655
  H     15.16914142      9.13452294     -8.69963999
  O     18.91954544      8.86461994    -15.53169044
  H     12.38196200      8.96600321     -9.60853182
  H     14.67058533      7.79698603     -9.27207346
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  H     12.95281773     10.35135368     -9.25259922
  H     17.57662730     12.88248230    -13.50655600
  O     18.80308377      9.95449134    -13.05151216
  H     14.21136326      7.54354101    -12.72333240
  H     18.70069784     13.38557466    -12.57113382
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  H     13.05793790      7.67867000    -13.72906768
  H     16.83461542      9.98410145    -10.92011310
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  H     13.23389518     11.15988579    -12.61730426
  H     16.75632647      8.67964181    -10.11034934
  O     10.60718157     10.82684862    -14.66181505
  H     14.55945329     11.01728294    -13.41425961
  H     15.18309775     11.31918583     -9.44869567
  O     15.45400082      8.23963340     -8.92491982
  H     17.63228690      7.48981127    -15.53641832
  H     14.83727640     11.60033465     -7.97082259
  O     18.04628960     12.69941951    -12.67263669
  H     16.60872283      6.95032191    -14.52577275
  H     14.15757197     10.20168269    -17.63843131
  O     17.22543766      9.10323738    -10.84407408
  H     13.02302445      7.24527170    -11.01593774
  H     14.94455836      8.89060272    -17.87567808
  O     14.66451191     11.00005156     -8.69222104
  H     12.58955094      6.36256557     -9.82792368
  H     11.82652045     10.08144795    -11.34863093
  O     14.98700431      9.84935347    -17.98248225
  H     18.90216662      9.23048514    -14.62839293
  H     12.31103256      9.17268279    -12.50314802
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  H     19.83638864      8.71844488    -15.74934641
  H     13.86953636     12.73127798    -14.26824387
  O     13.88950191     13.16917138    -15.13613446
  H     15.64338804      6.96435636    -16.65501461
  H     13.30664273     13.92280242    -15.07611183
          69
 Energy    -248.71509627429697     
  O     10.84343180     10.89106832    -12.00896630
  H     11.53176810     11.27195617    -12.57100598
  H     18.79199723      5.85308134    -16.47175705
  O     13.97363000      7.13306316    -14.92179228
  H     10.39530105     10.23278147    -12.55525117
  H     15.18628141     13.35852812    -15.74517845
  O     17.04468494     10.57960783    -10.73723958
  H     14.37266907      6.81541218    -15.74456422
  H     15.73459831     11.98264636    -15.29715306
  O     17.73406735      9.22568072    -16.93719041
  H     14.59753981      7.76528925    -14.53155398
  H     16.14416763      9.58164405    -14.18716576
  O     12.17635621      9.22240389    -15.21462865
  H     16.11238746     10.54772911    -10.99028784
  H     15.32260233      9.18709231    -12.92222178
  O     16.16722125      6.21005133    -11.40021920
  H     17.23850014      9.71555301    -10.35068278
  H     11.65073623     10.01398182    -10.71782408
  O     13.61812056      5.67996537    -12.63920216
  H     17.96007920      8.30793142    -16.74585174
  H     11.93910109      9.66317158     -9.23691734
  O     14.44813682     10.14341937    -11.64409248
  H     17.00153733      9.18626066    -17.56596514
  H     18.98752366      8.18436228    -11.28152544
  O     15.43948687      8.95739869    -18.59032127
  H     12.73244667      8.43347238    -15.13921627
  H     19.37005121      9.21219809    -12.36476697
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  H     11.34084699      9.02200497    -14.77569575
  H     11.73057235      7.88324637    -11.11845156
  O     15.33796021      6.47735282    -17.19061504
  H     15.26871788      6.04781800    -11.70686568
  H     12.17121958      6.68643276    -11.99787105
  O     18.05719366      6.44068130    -16.31708517
  H     16.71510837      6.24242534    -12.19633877
  H     18.16798036     10.94267275    -11.99770161
  O     14.92035485     12.47801929    -15.49358799
  H     13.49326364      4.75506836    -12.84072016
  H     19.42179512     11.72297404    -12.46266585
  O     15.72393126      8.84215341    -13.73048135
  H     13.72006446      6.13791511    -13.49146247
  H     17.00190538      7.58379013    -13.68506288
  O     12.17878823      9.44059048    -10.13239718
  H     13.76964548      9.82552664    -11.03758056
  H     18.44309552      7.31093249    -13.18432336
  O     19.48194192      8.28961997    -12.10477041
  H     13.99143407     10.66088353    -12.32332338
  H     17.05779309      7.32681401    -10.37435890
  O     11.41960236      7.24913639    -11.77657013
  H     15.30965187      9.11614411    -19.52135272
  H     17.83227229      7.54805370     -9.05696323
  O     18.81084678     11.03902658    -12.72483248
  H     14.79495974      9.51526803    -18.11955445
  H     14.08848154     11.23378176    -16.69504627
  O     17.70238877      6.91390518    -13.66636806
  H     17.42658660     10.38274881    -15.66084852
  H     13.07639388     10.06937268    -16.61693867
  O     17.64446988      7.94451996     -9.90364432
  H     17.77089297     11.00523172    -14.25002156
  H     13.64917810     11.90163012    -14.25183731
  O     13.71366275     10.50277764    -17.19965938
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  H     12.77104577     10.62642039    -14.21743110
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  H     15.32216520      7.26490659    -17.74971538
  H      9.10546977      8.26665575    -13.69746996
  O      9.96847299      8.65267238    -13.57657117
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  H     10.44925905      8.08194532    -12.94898798
          69
 Energy    -248.71484969929332     
  O     -2.69587707      1.10159088      3.51444491
  H     -2.58985271      1.28024790      4.46118413
  H     -4.18926992     -1.19131833      4.52388276
  O     -1.25658436      4.00421704      6.48361635
  H     -3.29343963      0.34947557      3.43080622
  H     -1.87329691     -3.18006752      8.15605243
  O      0.82035041     -1.44576410      1.52543720
  H     -1.50448176      4.83710274      6.87498310
  H     -1.35591246     -2.83759414      6.73819638
  O      3.32612488     -0.11822433      1.87832233
  H     -1.10011687      4.17141102      5.53624905
  H      0.35179094     -0.42540438      6.70782329
  O     -1.22626905     -0.71472179     -0.29548533
  H      0.57310366     -0.78736828      2.19509841
  H     -0.81132542     -0.86417360      7.61833166
  O     -2.61426412     -2.13896085      1.55178680
  H      0.27758960     -1.24288780      0.75431423
  H      0.29875030      3.01115887      7.01499915
  O     -2.33263167      3.14754174      1.75050751
  H      3.08776690      0.71196251      1.44973906
  H      0.63138585      1.56301169      7.42836509
  O     -0.77151410      4.31041690      3.85163474
  H      2.59662500     -0.71926652      1.68328566
  H     -3.23944657     -1.55437746      6.67727033
  O      1.47444252      2.77841776      3.38597903
  H     -1.79277649     -1.17686179      0.34806657
  H     -3.48475580     -0.07438748      6.32541657
  O      2.31979296      2.34244159      0.76886644
  H     -1.46545437     -1.04823820     -1.15645453
  H     -0.91933814      0.58982193      3.40443815
  O     -0.37174432     -3.27254324      5.39098828
  H     -1.98350660     -2.75239101      1.94959654
  H      0.50508613      1.23035549      3.40697802
  O     -4.35734148     -1.17239162      3.56449351
  H     -3.22585015     -1.88205344      2.25149142
  H     -0.05323745     -4.48114737      2.21812370
  O     -1.84874695     -2.48625270      7.50301151
  H     -2.52644204      2.41451862      2.36050853
  H      0.11801880     -2.94677728      2.22330752
  O     -0.29070731     -0.09637855      7.35643171
  H     -3.17090181      3.45740747      1.41665125
  H      2.45052399      2.45417549      6.19269434
  O      1.03113327      2.41340306      7.20663004
  H     -1.33959028      4.07127849      3.11176560
  H      3.86254645      3.04205628      5.96860267
  O     -3.83981044     -0.96442571      6.20364688
  H      0.06882817      3.85644414      3.68935926
  H      3.71466234     -0.15166922      3.68140511
  O      0.02360647      0.39183000      3.41244953
  H      1.89361905      2.71185275      2.51852871
  H      3.68852598      0.73588633      4.95202803
  O     -0.43439087     -3.67418195      2.55645656
  H      2.15537190      2.71499218      4.06831643
  H     -0.64374349      1.05408227     -0.01686890
  O      3.18891043      2.50548260      5.55933118
  H      1.39576107      2.18963579      0.49960942
  H     -0.96776372      2.40407283      0.65982746
  O      3.76819253     -0.17563626      4.64853501
  H      2.72113517      2.87258423      0.08581946
  H     -2.09521115      2.35828874      6.38236583
  O     -0.28951844      1.93418052      0.16006627
  H      0.32576663     -2.59978965      5.40553479
  H     -1.60299227      0.90534954      6.58111046
  O     -2.33099997      1.43589038      6.22526958
  H     -0.49104915     -3.49591881      4.46245935
  H      2.23498048     -0.88677084      5.20088831
  O      1.29984551     -1.07543853      5.35930450
  H     -5.30214487     -1.24400896      3.45519221
  H      0.80701735     -0.57861275      4.68995232
          69
 Energy    -248.71457176305088     
  O     11.28347859     10.79733765    -11.61018066
  H     12.11303235     11.11326611    -11.98842017
  H     17.87916074      7.47099238    -16.62787434
  O     13.64270568      7.50621144    -15.42574249
  H     10.73788848     10.51952742    -12.35729923
  H     14.97918901     12.33275570    -15.47616743
  O     18.33028795      9.31105630    -16.85215326
  H     13.96781223      7.13634530    -16.25497429
  H     15.49971888     13.66987547    -14.88477433
  O     12.35063541      9.92645686    -15.05996556
  H     14.39948989      7.96180284    -15.02135523
  H     16.30257756      9.37837428    -14.49940916
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  H     18.12848751      9.88838444    -16.09691795
  H     15.51738206      8.94630083    -13.24508739
  O     13.02707763      6.22774385    -13.04701055
  H     19.13194742      9.64666467    -17.24603603
  H     11.21668626      9.46761514    -10.48164476
  O     15.29734247      9.56578534    -11.53809116
  H     12.69681567      9.04563182    -15.26037413
  H     10.69010130      8.83907002     -9.16719624
  O     15.64291341      9.49774479    -17.88637648
  H     11.44905472      9.81458358    -14.73529825
  H     10.61649410      7.59873901    -11.50485581
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  H     11.26368197      6.78446673    -12.64789013
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  H     14.99207336      6.35319690    -10.18051054
  H     17.10588444     10.43913054    -11.71150259
  O     15.03163787      6.67738119    -17.69956829
  H     13.17667423      6.62790714    -13.91538323
  H     18.34011652      9.55279259    -11.76883845
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  H     13.68575345      5.52914115    -12.94802448
  H     16.59950742      7.11527908    -13.94221415
  O     15.46059927     12.73107211    -14.72497799
  H     14.72821136     10.23149445    -11.95364851
  H     16.48799655      5.64117229    -13.45867628
  O     15.73442520      8.68267956    -14.14842119
  H     14.71234084      8.90930571    -11.13275126
  H     17.60640477      7.17549581    -12.13042430
  O     11.17101566      8.64202888     -9.96610311
  H     16.57747403      9.46747943    -17.65139778
  H     16.86502256      8.27500491    -11.33645182
  O     10.46843611      7.27454979    -12.40193294
  H     15.35505849      8.57879651    -17.92580977
  H     14.63284777     10.79640709    -17.14941793
  O     18.01799999     10.42387033    -12.02745984
  H     15.42794783      4.85513382    -11.70985741
  H     13.39665336     10.97275139    -16.23012824
  O     17.11365669      6.31469569    -13.75336684
  H     15.29915303      3.55842073    -12.54679723
  H     13.40517688      7.13806023    -11.50762656
  O     17.60799501      7.66020772    -11.29247377
  H     16.87033375     11.53132189    -14.74211067
  H     12.81452035      7.90466397    -10.29117365
  O     14.12614002     11.44977127    -16.64471363
  H     17.81315088     10.72021690    -13.79983692
  H     14.30096040     11.88411960    -13.47508847
  O     13.63576133      7.56918797    -10.67146649
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  H     13.27004229     10.76060114    -13.71891648
  O     13.72051764     11.26150243    -13.02161767
  H     15.91759906      6.56640964    -17.30929448
  H      8.98380820      9.55190822    -14.06202640
  O      9.89508469      9.53802775    -13.78282762
  H     17.51291711      6.36806358    -15.60544631
  H     10.04507290      8.68083322    -13.34489019
          69
 Energy    -248.71389880699829     
  O      1.11643054     -0.64786055      4.74687982
  H      0.29621797     -1.12883011      4.95803815
  H     -1.70332731      3.05222710      1.23634744
  O      2.01869513     -0.56780465     -2.75282947
  H      1.56570214     -0.50194936      5.57549046
  H     -2.60722586     -0.12894442      3.82415436
  O     -1.21819455     -1.92442053      5.28619822
  H      1.83061245     -1.51338129     -2.69524660
  H     -3.29380902      0.96854278      4.64538265
  O     -0.05699401      0.35857930     -1.02021290
  H      1.26036990     -0.13029594     -2.34488778
  H      1.01273246      1.24299204      2.18354767
  O      1.47967621     -3.29432499     -2.04813619
  H     -1.89719642     -1.23231211      5.28211599
  H      0.62070521      0.82192353      3.62052868
  O      3.20075892     -2.76679998     -0.00592685
  H     -1.59685149     -2.66326981      4.79950984
  H     -1.69959398      3.07220690     -1.36776942
  O     -3.77673057      2.57600390      3.96744379
  H      0.63133865      0.39706263     -0.34081542
  H     -1.14018937      1.73275273     -0.83643686
  O     -4.52571236     -3.14120322      2.00000506
  H     -0.43711863     -0.53045431     -0.99216312
  H     -1.11965855      0.44795414      2.35277642
  O      4.03578696     -0.17901687     -0.96479213
  H      1.71770741     -4.10748595     -2.48536901
  H     -2.48034998      0.20174258      1.61649640
  O     -5.76389535      1.51635209      2.12911237
  H      2.09477163     -3.18602897     -1.30061317
  H     -0.17324116     -2.73015019     -1.38726695
  O     -5.30746675     -0.98233107      3.38335800
  H      3.64363459     -1.94986491     -0.26717545
  H     -0.82384513     -2.53705099      0.00928202
  O     -1.68579594      3.21007243      2.18610380
  H      2.84605618     -2.60885963      0.87858300
  H      1.76494333     -1.56212384      3.22455953
  O     -3.04130470      0.03401454      4.67513387
  H     -4.52646775      2.35341305      3.40402316
  H      0.96970726     -2.29558413      2.12712691
  O      0.37333206      1.40423443      2.89131593
  H     -3.07900348      2.88671258      3.37207095
  H      2.77991501      0.37096046      0.31048444
  O     -1.77692605      2.44459533     -0.65369443
  H     -4.83892148     -2.35657666      2.48797429
  H      1.96172720     -0.41708367      1.36317043
  O     -1.80925522     -0.20604117      2.17676508
  H     -5.30436737     -3.63214042      1.74842428
  H     -3.17915559     -3.72557878      3.05517229
  O     -0.90971993     -2.30792155     -0.92898817
  H      4.82828162      0.19127565     -1.34299002
  H     -2.59245266     -4.87150536      3.90980756
  O      1.84629587     -1.94161798      2.34092508
  H      3.39107110     -0.27118948     -1.68928561
  H     -1.13833001     -1.79251729      1.93006953
  O      1.99591449      0.41667621      0.87044512
  H     -5.08065763      1.30863769      1.46727395
  H     -1.20648599     -3.27872463      2.36491649
  O     -2.40655140     -3.99653088      3.57788038
  H     -6.46299492      1.97282397      1.66885418
  H     -3.85313161     -2.29184230      0.34721958
  O     -0.74286673     -2.66845706      1.78141192
  H     -4.60802096     -0.70389678      3.99003568
  H     -2.76169154     -2.03697276     -0.72432336
  O     -3.64445881     -1.77023593     -0.43640389
  H     -5.62533773     -0.16842676      2.97400382
  H     -3.78172037     -0.05760284     -0.01635566
  O     -3.78154926      0.81712527      0.40303986
  H     -0.89534292      2.76020905      2.51257459
  H     -3.18169244      1.40106034     -0.07661145
          69
 Energy    -248.71369286334871     
  O     13.36323044     11.63023627     -8.38680866
  H     13.30056964     11.48493445     -7.44630906
  H     10.17407644     13.27701633    -13.28711630
  O     11.32330699     11.06632900    -15.21867846
  H     13.55147450     10.76316463     -8.79204642
  H     13.58804559     14.44530948    -11.67222753
  O     13.74923550      9.28325420     -9.65942387
  H     11.70270808     11.26909728    -16.08309629
  H     13.57278492     13.08352024    -12.40119329
  O     18.39725260     12.42848829    -13.30054258
  H     11.20143199     11.91322967    -14.76687204
  H     11.75917629     14.24247021    -15.40329447
  O     11.44549487     12.22222858    -10.34718397
  H     14.53961296      8.98407834    -10.12315915
  H     12.38734683     13.66014724    -16.68530571
  O     11.60805414      9.59449310    -11.43957411
  H     13.00599783      9.16979022    -10.26694747
  H     15.32488408     11.71209485    -12.51919076
  O     13.19327537      9.69524709    -13.71670810
  H     17.95864792     11.84120241    -13.93923491
  H     14.14928293     11.12413399    -13.38131221
  O     15.05131389     15.37686919    -11.02376668
  H     19.32545468     12.42886417    -13.52080266
  H     13.59917216     11.89021288    -17.38528572
  O      9.54871673      9.97138851    -13.23500703
  H     11.97569756     12.06245720     -9.55676391
  H     12.51093917     11.77223386    -18.47611173
  O     14.93750972     14.08306593    -15.04729592
  H     11.97726497     12.80838641    -10.90623003
  H     16.89891110      8.25649262    -10.56005174
  O     15.29939308     12.05031416    -16.96277150
  H     11.56800241     10.48059866    -11.05589328
  H     16.42112956      9.62114357    -11.11118472
  O     10.92133657     13.50397986    -13.85279792
  H     10.83317639      9.52617530    -12.01658143
  H     15.92140080      8.38833602    -12.91424743
  O     12.99985332     13.76481660    -12.02076023
  H     12.70619652      9.55123382    -12.89388422
  H     14.81714448      8.73088495    -13.92132776
  O     12.41356917     14.42001839    -16.09080632
  H     12.56243993     10.07745755    -14.34277045
  H     16.58957291      9.89412496    -14.60773511
  O     14.67430478     11.91925305    -13.20449019
  H     15.69959233     15.21032923    -11.73231878
  H     16.03045171     11.30271287    -14.45210373
  O     12.63916962     11.92038686    -17.54281214
  H     15.14073546     16.29430590    -10.78066574
  H     16.39836941     11.95554685    -10.63974577
  O     16.18122119      8.68224821    -11.02344208
  H     10.01856674     10.22496127    -14.04000342
  H     17.39154642     11.75345112    -11.85092265
  O     15.74732878      8.47347910    -13.85920150
  H      9.24046210     10.79614169    -12.84000153
  H      8.37892623     12.81384910    -11.39114831
  O     16.76939741     10.81749157    -14.84159511
  H     14.07597458     14.35402120    -15.39823435
  H      9.86011326     12.40569826    -11.22832442
  O     16.67947615     11.34816541    -11.34286835
  H     14.76675363     13.36534812    -14.42258462
  H     17.38056787     14.09374410    -13.12797296
  O      9.14098760     12.50332626    -11.87408351
  H     15.29783787     12.87006104    -16.44872774
  H     16.17666564     14.72496793    -13.85394690
  O     16.73558443     14.80596377    -13.06697757
  H     15.91138939     11.46637675    -16.50254753
  H     14.82015658     12.65263649     -9.09996623
  O     15.61251428     13.01646668     -9.51313140
  H     11.65071897     13.71828793    -13.25335764
  H     15.37526115     13.86755162     -9.90066955
          69
 Energy    -248.71344672788251     
  O     17.04563444     11.05008917    -13.33824380
  H     16.41585321     11.75431527    -13.53583750
  H     11.24423504      8.19986293    -10.15106952
  O     15.09539598      6.52915912    -11.73648910
  H     16.54891260     10.38868212    -12.82969164
  H     14.46346460     11.93117870    -10.52910421
  O     11.72520106      8.69941421    -13.70303401
  H     14.14629763      6.40502911    -11.86678699
  H     15.96768166     12.25659332    -10.64804528
  O     13.49900644     10.39053535    -10.17986332
  H     15.52880274      6.30828811    -12.57172686
  H     15.25616136      8.35338392    -11.95038230
  O     18.34109144      8.62651670    -10.39479591
  H     12.44295036      9.28160172    -13.98680632
  H     14.71258933      9.69947911    -11.38963386
  O     13.94817665      6.81238159    -17.23050379
  H     11.53249643      8.10690916    -14.44531243
  H     17.83314134     10.16928798    -14.60315469
  O     16.26814330      6.22369379    -14.20391335
  H     13.58924934      9.79710890     -9.42245999
  H     18.89469332      9.96669383    -15.71452968
  O     13.95614171     10.22330567    -14.31701505
  H     12.61552833     10.25584629    -10.54449732
  H     12.14508975      5.07199408    -13.35029225
  O     14.52953070      4.56060194    -15.52256131
  H     19.19724335      8.39784249    -10.03936766
  H     11.49948576      3.74858239    -13.81836561
  O     13.76356120      8.42525370     -8.21120980
  H     18.33493541      8.30289317    -11.31180172
  H     17.74764167      7.03940404    -13.33031319
  O     16.00810918      7.41188784     -9.28906596
  H     14.08326787      6.90355821    -18.17063756
  H     18.46744984      8.31619409    -13.75506238
  O     11.58479806      7.38461305     -9.76169703
  H     14.55986126      7.43187798    -16.80006524
  H     10.15521464     10.24806598    -11.34506510
  O     15.08647693     12.57385640    -10.89258945
  H     16.03774028      7.01781810    -14.70252485
  H     11.15044060      9.40254610    -12.17053123
  O     15.22625828      9.30450172    -12.10661581
  H     15.77578660      5.50133527    -14.62023460
  H     12.05247340      6.59650978    -11.28831949
  O     18.16802344      9.54045355    -15.26809341
  H     14.37622007      9.82708068    -13.53437549
  H     12.19697038      7.18579150    -12.71964804
  O     12.04037093      4.47714028    -14.11222189
  H     14.10521664     11.17152187    -14.22937812
  H     11.58564507      5.96368743    -15.25660572
  O     18.34096618      7.72776659    -13.00305876
  H     13.70775148      4.41785345    -15.03645289
  H     12.29549102      6.86207869    -16.28344489
  O     10.96987831      9.75561429    -11.28306664
  H     14.31650848      5.20449007    -16.20957174
  H     17.84609250     10.50652914    -10.37718615
  O     12.35998180      6.39721906    -12.18499350
  H     14.59708950      8.04362199     -8.54265551
  H     17.69212645     11.46272242    -11.55322688
  O     11.54031571      6.82841060    -15.68309431
  H     13.82872398      8.44502302     -7.26049585
  H     15.01628149      9.14795150    -15.37264692
  O     17.63992660     11.42478621    -10.58991898
  H     15.71089900      6.93380152    -10.07699572
  H     16.49577591      8.85953014    -15.76208487
  O     15.59809263      8.50616653    -15.80313788
  H     16.81300551      7.86968739     -9.55801783
  H     14.73716950     13.73284803    -13.81572393
  O     14.85550072     12.81928937    -13.57200393
  H     12.29588149      7.65189369     -9.16590371
  H     14.88406710     12.79164711    -12.59684441
          69
 Energy    -248.71320831565228     
  O     12.95766835      3.17472804    -11.89321117
  H     13.17371811      3.41966644    -10.98304052
  H      9.80991049      3.15145901    -12.27418510
  O     13.20625645      3.92530957     -9.18727657
  H     12.72042499      3.98973963    -12.35401573
  H      7.64388224      7.92591060    -10.77494827
  O      8.14685874      6.02413674    -13.86370161
  H     13.00756221      3.24222902     -8.53615851
  H      8.16511913      6.73126226     -9.94218578
  O     11.91124269      7.04518623     -7.02026712
  H     12.40722411      4.47449536     -9.21727704
  H     10.14082042      5.39168248     -9.45296184
  O     10.79811118      1.57236458    -11.95699881
  H      8.91507712      6.39346771    -14.31798235
  H     11.40282241      6.19193055     -9.92971091
  O     12.04310848      2.14240146     -7.34420276
  H      8.47208008      5.24592967    -13.39387157
  H      9.26630713      6.51107697     -4.65472743
  O     11.80934140      5.54250205    -12.96823882
  H     11.59586111      6.53889427     -7.78695774
  H      9.17913543      6.95603183     -6.13104935
  O     10.51841512      9.07320615    -10.32550363
  H     11.31520759      6.79777855     -6.30418261
  H     10.81052011      1.53281206     -8.69274474
  O      7.09987981      8.15430568    -12.54166990
  H     10.93005209      0.85056660    -12.56555377
  H     10.32616674      1.39288007    -10.16360435
  O      7.97993208      2.81152009     -8.29450189
  H     11.62666992      2.08669997    -11.94525610
  H     13.61277057      6.82553720     -8.03643274
  O      9.71435073      9.22317832    -13.03950147
  H     11.35666330      2.71438079     -6.95522118
  H     14.07862036      5.65460958     -8.91171301
  O      9.51988719      4.06796168    -12.34786599
  H     12.35945183      1.58016672     -6.64201290
  H      8.75076454      4.60923980    -10.82316606
  O      8.10258947      7.69801625     -9.95712193
  H     11.47428231      6.08060994    -13.69535198
  H      8.19104359      4.24879354     -9.40458646
  O     11.04281715      5.63919539     -9.22302801
  H     12.13424186      6.16683777    -12.30144500
  H     13.18052152      7.17606310    -10.28336825
  O      9.61670845      6.33330560     -5.52380066
  H     10.75623627      9.42261182     -9.45849765
  H     11.92718612      8.00486305    -10.77135803
  O     10.03579754      1.36757185     -9.24362106
  H      9.70297122      8.56577068    -10.19694201
  H      9.84569364      4.55309221     -6.10960275
  O     14.14030716      6.61505006     -8.81620104
  H      7.39683151      7.35032416    -13.00521702
  H      9.20926727      3.42887152     -6.95842301
  O      8.45793428      4.97850934     -9.97701745
  H      6.25012764      8.38486018    -12.90705415
  H     11.62199420     10.26254288     -7.16361469
  O     12.50472746      7.25594867    -10.97228128
  H      7.22486268      2.25943995     -8.11155401
  H     11.48511743      8.74004847     -7.40169779
  O      9.97466719      3.64708606     -6.41277381
  H      8.67369321      2.23204460     -8.66218499
  H     10.80414962      7.68676854    -15.60275753
  O     11.11263375      9.60789408     -7.63404144
  H      8.78171538      9.01447955    -12.90115394
  H     10.32315605      8.03304369    -14.17365934
  O     10.54311127      7.29696427    -14.77286420
  H     10.09090582      9.32979784    -12.15708220
  H      9.33854809      8.84269199     -7.31403872
  O      8.61173409      8.21459854     -7.22646316
  H     10.31704801      4.59007412    -12.52550995
  H      8.29584809      8.05509669     -8.12551914
          69
 Energy    -248.71320772172965     
  O     11.94590785      2.23292807    -11.49013378
  H     12.17656589      2.43540896    -10.57313795
  H     11.85752801      8.98455736    -12.25197762
  O     12.28218135      3.01356406     -8.80224223
  H     12.09459267      3.03895947    -12.00108797
  H     10.16239446      4.54057010    -12.42275921
  O      8.86587887      6.62523012    -14.01343892
  H     11.77638313      2.51692158     -8.14837114
  H      9.09729490      3.44936178    -12.16821420
  O     13.12677800      6.20689487    -10.76715964
  H     11.78003893      3.83386620     -8.92840206
  H      8.95824734      8.78644027    -11.05862470
  O     12.21521102      6.53845000     -6.88461734
  H      9.74851219      6.62078593    -14.40570776
  H      8.88694199      7.54657427    -10.13666427
  O      9.33210655      1.63364495    -11.70049322
  H      8.81163203      5.81809549    -13.48645997
  H     10.10605584      5.56497108     -9.41252142
  O     10.36465261      1.98673177     -7.01415013
  H     12.89089264      7.13715922    -10.64984327
  H     11.61525253      5.75381895     -9.79592617
  O     11.94075344      4.77817114    -12.75599476
  H     13.65999120      5.91211000    -10.01452035
  H      9.41845136      7.28483957     -4.76385270
  O     12.01024984      8.71078843    -10.37981615
  H     11.77744959      6.14768472     -7.65874907
  H      9.62662895      7.61944807     -6.25710851
  O      8.68327768      9.08595803    -12.87633962
  H     11.52006121      6.60390439     -6.21999062
  H      9.09158709      1.82830769     -8.45068952
  O      7.00508249      4.16200438     -8.37123773
  H      9.20264377      0.87780623    -12.26678567
  H      8.69978153      1.78901723     -9.95486717
  O     11.53495095      8.97487759    -13.16174500
  H     10.29501233      1.77095702    -11.62875312
  H     13.74883779      5.58067413     -7.72525380
  O      9.21124433      4.39720991    -12.30282043
  H      9.94405187      2.81284135     -6.71363036
  H     13.76007645      4.26138097     -8.50854401
  O      9.22425604      8.45310146    -10.19299593
  H     10.37334968      1.39706823     -6.26483553
  H      8.62085418      5.31052370    -10.87927317
  O     11.01156769      5.44499012     -9.10693461
  H     11.90696636      5.35152204    -13.53100823
  H      7.86207147      5.30893247     -9.50820758
  O      9.72799036      6.91897496     -5.58847375
  H     12.44241065      5.26565158    -12.08467292
  H      9.25477517      5.15962503     -6.08397600
  O      8.35862052      1.94907424     -9.06643218
  H     12.30634678      8.99675595     -9.50752544
  H      8.27922738      4.32792037     -6.94767710
  O     14.19995820      5.12020310     -8.44295251
  H     11.05196431      8.58463157    -10.31096878
  H     13.27087084      9.58112531     -7.17315305
  O      8.44326366      5.82640797    -10.07902142
  H      8.66019635      8.19924318    -13.27963343
  H     12.54401504      8.22926658     -7.36694956
  O      9.02562843      4.25887393     -6.33997145
  H      8.02957138      9.61157441    -13.32925924
  H     12.08762957      6.94927799    -15.55129502
  O     12.57457170      9.15438435     -7.66546097
  H      6.07969183      3.97475531     -8.24091903
  H     11.68724258      7.56189955    -14.18822100
  O     11.63145645      6.75830792    -14.73628156
  H      7.42776330      3.32765246     -8.64959697
  H     10.62459510      9.19211577     -7.48804000
  O      9.70090741      8.91724731     -7.44709424
  H     10.59072916      9.16920996    -13.10530853
  H      9.41327390      8.83368218     -8.36568576
          69
 Energy    -248.71318331156056     
  O     -7.78820337     -1.99268502      6.20628869
  H     -8.38595530     -1.25249189      6.39006622
  H     -7.04177484     -0.38137434      3.26320083
  O    -10.23156198     -2.08113792      2.53454640
  H     -6.89028495     -1.67507099      6.34631544
  H     -4.79700930     -1.08678975      5.47799469
  O     -8.40980466     -3.56938104      4.14498478
  H     -9.74086673     -2.66211531      3.12913064
  H     -4.44931072     -1.30990940      6.97048943
  O     -6.02763090      1.58118818      5.72999754
  H    -10.32841341     -1.23862580      3.00138500
  H     -2.23044911      3.45260808      1.39021491
  O     -4.76011720      5.97053143      1.13469280
  H     -8.46757911     -4.47373249      4.43919695
  H     -1.28529856      2.70448770      0.41601636
  O     -8.93999343      1.40284849      0.35669435
  H     -8.21768469     -3.02822412      4.93394204
  H     -9.34893432      3.51280407      3.52507186
  O     -9.48244084      0.16639656      6.48875468
  H     -6.78890440      1.94273198      6.20195811
  H     -7.95870561      4.15393979      3.76002372
  O     -4.37406637     -1.21643544      3.79719363
  H     -5.75065441      0.75308314      6.14287918
  H     -9.96876180      2.26903298      1.49158251
  O     -4.68472480      3.65113677     -0.31027645
  H     -4.75080676      5.21195661      0.52392533
  H    -11.22080530      3.13295585      1.76729328
  O    -10.08025199      0.41692986      3.76037848
  H     -4.83624155      6.75639244      0.60059176
  H     -7.22550368     -1.87274981      1.71298109
  O     -3.89851966      1.10526560      2.23843372
  H     -8.86609803      0.44023449      0.35600385
  H     -7.24149267     -2.66395334      3.04577208
  O     -7.31548504      0.52796209      3.43930802
  H     -8.04637649      1.73206993      0.51298538
  H     -9.26329249     -1.69138195      1.15279292
  O     -5.12077138     -0.96340161      6.38927190
  H     -9.16216078      1.05563700      6.67737773
  H     -8.80822593     -1.96796942     -0.30114290
  O     -2.18480197      2.73797595      0.72930588
  H     -9.86729737      0.22114268      5.60321889
  H     -8.55596149      3.45320260      7.32286231
  O     -8.75352001      3.83884591      4.20961061
  H     -4.09583152     -0.45398988      3.27416357
  H     -8.54701569      3.17701650      5.80050782
  O    -10.47133457      2.72298860      2.19082200
  H     -5.06761824     -1.65019294      3.28191915
  H     -3.09457998      4.25025466      3.31276080
  O     -6.71234509     -2.05675379      2.50955075
  H     -5.32440269      3.03641061      0.06751318
  H     -3.27550219      5.27302647      2.17041507
  O     -8.61320911     -1.44153557      0.47013655
  H     -3.81258739      3.28193006     -0.11792362
  H     -4.05609198      2.37351508      3.59012452
  O     -8.35298555      2.78662107      6.67241776
  H    -10.42011681      1.19123483      3.29866535
  H     -4.83367414      2.62911258      4.89002714
  O     -2.63255999      4.68167907      2.58137055
  H     -9.11595813      0.46116844      3.66460734
  H     -6.81725320      1.52588786      2.07513745
  O     -4.28595688      3.06764490      4.22353513
  H     -3.22124699      1.51170126      1.68280995
  H     -6.44295591      3.00756252      1.86598777
  O     -6.43383279      2.14287031      1.43028137
  H     -4.75286097      1.36874155      1.87177757
  H     -5.61944971      4.05849771      3.45893902
  O     -6.31784491      4.47512383      2.93193028
  H     -6.86291555      0.84185777      4.23227106
  H     -5.89133656      5.13992904      2.37791221
          69
 Energy    -248.71296129377055     
  O     12.26460608     11.69772512    -14.52278854
  H     13.03303688     12.27747390    -14.48570469
  H     19.34662571      6.35049605    -14.16377426
  O     15.59533490      6.74342361    -13.59230597
  H     12.47169899     11.03244200    -15.19567062
  H     15.55370041     11.52504454    -17.28361558
  O     17.80165691     10.06181653    -11.65409670
  H     16.29449775      6.82364072    -12.93316184
  H     16.72797326     11.30192817    -16.32318886
  O     17.63472186      9.72624765    -15.79391351
  H     15.46407349      7.63636152    -13.95390315
  H     14.51167247      9.45511772    -15.08775480
  O     12.13596755      7.13496992    -15.99901034
  H     17.88016618     10.25958082    -10.70904441
  H     15.25097683      9.95175203    -13.79847103
  O     15.14293004      9.38450219     -8.91742808
  H     17.00240952     10.50864785    -11.96726934
  H     11.44873063     10.90182316    -13.24025542
  O     13.64104896      7.09489093    -11.66380514
  H     18.34879746      9.69387047    -15.14935249
  H     10.21066113     10.78340083    -12.31696997
  O     15.44323301     11.19117496    -12.49822197
  H     16.81589683      9.52066120    -15.31465748
  H     11.27069675      8.57829796    -13.14343401
  O     16.29974914      8.23636391    -17.80659853
  H     11.42233230      6.63549250    -16.38691351
  H     12.14343353      7.36932111    -12.75238073
  O     15.54703589      6.63448315     -9.62054605
  H     11.89404841      7.28939685    -15.06792450
  H     20.32238165     10.15635119    -13.61331167
  O     14.90135539      6.33917522    -16.30143875
  H     14.48857354      9.66334736     -9.56986052
  H     18.97193187      9.81805883    -12.93837182
  O     19.46073138      6.79074494    -13.32335998
  H     15.24111326      8.43113484     -9.03145570
  H     18.20634321      6.95550002    -12.01496018
  O     16.03858534     11.93692966    -16.55885773
  H     14.24071111      6.90023632    -12.39949956
  H     17.50712343      8.23486196    -11.49717520
  O     15.24695001      9.27681173    -14.48826658
  H     14.11219340      6.82256479    -10.86800341
  H     17.83149266     10.95905101     -8.16286797
  O     11.05103568     10.38141517    -12.51818774
  H     15.16609544     11.93506050    -13.04712354
  H     16.73774634     10.15033069     -8.88380218
  O     11.52233060      7.68924370    -13.41961871
  H     14.68741527     10.85773622    -11.99258825
  H     15.28118522      9.51536217    -18.32729400
  O     19.55373042      9.59598432    -13.68660717
  H     15.85367870      7.52499099    -17.32346966
  H     14.60181154     10.35966872    -19.43458204
  O     17.44749730      7.26958544    -11.50364540
  H     16.92829424      8.64152656    -17.19606199
  H     13.53467674      8.91440903    -11.35844048
  O     17.63915651     10.50446857     -8.97779270
  H     15.81391143      5.90126619     -9.07213262
  H     12.56968110     10.11181085    -11.49256766
  O     14.69261757     10.27667844    -18.48994338
  H     16.27608663      6.79837102    -10.24356033
  H     15.21567723     12.69847304    -15.21830315
  O     13.43608182      9.85525868    -11.15317995
  H     13.95608528      6.52235084    -16.24458299
  H     14.89806715     14.02751634    -14.49603025
  O     14.75773804     13.08547707    -14.45044993
  H     15.20005292      6.26249621    -15.38620855
  H     13.55914373      9.90738831    -17.10113287
  O     13.11541282      9.73113849    -16.26143280
  H     19.58495112      7.72892504    -13.53054232
  H     12.73483809      8.84391421    -16.29518183
          69
 Energy    -248.71274271780686     
  O     17.46360384      8.35100105    -12.54322766
  H     16.86439940      9.11047414    -12.60531875
  H     16.24886127      8.65194668     -7.40781898
  O     12.15037374     11.80617532    -11.32539388
  H     18.11237212      8.60094771    -11.87351280
  H     13.65814503     11.24152559    -10.37891898
  O     18.06756602      8.29631973    -15.22532548
  H     12.56837428     12.34650436    -12.02089047
  H     14.25572658      9.83537370    -10.11353946
  O     12.66446629      9.39050318    -12.79661871
  H     11.33761310     12.24212715    -11.08513796
  H     18.98342054      8.12959011     -9.35745742
  O     15.66990125      6.44575518    -11.66221628
  H     18.58307474      7.53782249    -15.48913020
  H     18.23044650      8.07239598     -8.02104490
  O     19.03197690      9.54712244    -10.58667776
  H     17.89807535      8.20328040    -14.27274771
  H     16.24566095     15.22022881    -12.92665820
  O     20.02868933     11.53447759    -12.32524955
  H     12.29359420     10.13765247    -12.31034364
  H     16.61768000     13.82632240    -12.37504368
  O     17.06537451     11.07303611     -9.20732248
  H     13.17204585      9.78879888    -13.51507043
  H     17.16159388      4.73410312     -8.92985609
  O     15.26018383      8.55166252    -15.86993480
  H     16.06436677      6.00450242    -10.90028266
  H     17.58089942      6.21589498     -9.08448052
  O     14.00342800      6.97998634    -13.93528601
  H     16.34137048      7.05591339    -12.00208110
  H     16.62101123     11.35532972    -12.26977304
  O     14.39772028     10.80628355    -14.66248280
  H     19.51515949     10.17261628    -11.14069189
  H     15.37322897     10.66499578    -11.67667400
  O     16.98183210      9.21478971     -7.09862824
  H     18.34372513     10.05508682    -10.13325388
  H     18.64088339     10.10517172    -14.97631030
  O     14.45983881     10.78286429    -10.09824456
  H     20.90722420     11.86910933    -12.48102930
  H     18.12778729     11.56685665    -14.93378219
  O     18.67923762      7.51955257     -8.67312263
  H     19.64797466     11.31841986    -13.19793576
  H     15.85653547     12.02744723    -15.29306486
  O     16.03226263     14.29235790    -12.99383494
  H     16.13274189     11.03135524     -9.46747183
  H     16.45024191     13.25225037    -14.57987033
  O     16.86562681      5.57848099     -9.25941780
  H     17.12483584     10.55983007     -8.39167087
  H     14.44827516      7.54077754    -10.90252219
  O     15.97554458     10.65812789    -12.43229102
  H     14.85145764      7.89312485    -15.28800371
  H     13.30426853      8.50463652    -11.28359110
  O     18.85366001     10.98890293    -14.65743004
  H     16.21307439      8.43859015    -15.78606385
  H     18.53678754     12.43507244    -11.70753397
  O     16.64989242     12.57106242    -15.23260126
  H     13.36361999      7.58910616    -13.55268744
  H     17.50498810     12.32011720    -10.54773128
  O     13.80270615      8.15954719    -10.53100824
  H     14.51552309      6.63049065    -13.19535448
  H     14.27861655     13.56464403    -13.16678491
  O     17.66140918     12.72104731    -11.41351058
  H     14.99494523     10.77239038    -13.89687375
  H     13.66135622     12.37758026    -13.93644108
  O     13.45553838     13.08097179    -13.30542754
  H     14.63431060     10.05482392    -15.22861868
  H     14.48499881      7.72910567     -8.79545319
  O     15.10299943      7.51274784     -8.08695145
  H     16.89162779      9.28747464     -6.15216735
  H     15.60962857      6.75533686     -8.40722740
          69
 Energy    -248.71268902273613     
  O     12.34677430      5.64512159    -12.44151518
  H     12.78365817      5.89287832    -11.61387533
  H     16.66508505      6.36765832    -14.93787574
  O     16.86740735      9.82515561    -11.83181307
  H     12.98231174      5.10775255    -12.92815084
  H     14.47677539      7.59865893    -11.72041688
  O     17.46556400      9.46692553    -14.50690514
  H     17.21793844      9.78276553    -12.73254358
  H     15.46019793      8.72297421    -12.18643511
  O     13.87871760      6.56367578    -10.31277790
  H     16.44733799     10.68734769    -11.71864699
  H     13.66638024      9.74083216     -9.21308924
  O     15.05069293     10.07888341    -15.76676547
  H     18.14518908      9.55618014    -15.18596403
  H     14.91060328      8.86709556     -8.92211581
  O     13.93870228     11.73807320    -13.88299072
  H     16.62537421      9.70861374    -14.92300261
  H     14.27012818      3.25131585    -14.14739905
  O     16.39796248      6.61576566    -18.31100840
  H     13.74963467      7.34385275     -9.75064515
  H     14.64413767      4.65902899    -14.65831549
  O     11.09754757      7.67841685    -13.70528949
  H     14.71126062      6.16111177    -10.03614982
  H     13.24027214      9.30918584    -12.34269403
  O     16.64612764      4.99699049    -12.31600098
  H     14.69040946     10.78625624    -15.21306951
  H     11.77509620      9.22214391    -12.79175659
  O     13.64223196      7.83357138    -14.93268106
  H     14.49787126      9.30332695    -15.60035406
  H     16.63201266      5.45148952    -10.65995404
  O     15.18103224      5.81825372    -15.91913993
  H     13.27914154     11.15629149    -13.48419014
  H     16.91015057      5.07086584     -9.18614847
  O     17.44984709      6.63245038    -14.43781719
  H     14.49215723     12.03261118    -13.15089193
  H     18.56925449      6.53701473    -15.96733847
  O     14.67106167      8.22425927    -12.43016402
  H     16.40897200      7.58799073    -18.24354481
  H     18.15209650      6.54038313    -17.44575225
  O     13.94090707      8.88364093     -8.87709030
  H     16.26013212      6.40619639    -19.23081616
  H     16.90071917      8.98903057    -10.14008179
  O     14.36466342      4.16074851    -13.87269169
  H     11.48702108      6.92449040    -13.22320307
  H     16.73688040      7.62461372     -9.43212960
  O     12.41405924      9.81655748    -12.38369976
  H     10.20965037      7.42512359    -13.94045781
  H     17.46607407      9.48580652    -17.67399549
  O     16.51076484      5.73862187     -9.73683372
  H     15.86178284      4.63670036    -12.74428786
  H     15.97755222      9.67809992    -17.31706160
  O     18.90001183      6.70879823    -16.85996385
  H     17.06192518      5.57322045    -12.97129147
  H     14.59394704     11.95111474    -10.90675920
  O     16.66663557      8.57811388     -9.29805339
  H     12.70016016      7.79679523    -14.73419984
  H     15.71655632     13.00531836    -11.02361114
  O     16.57058205      9.29930319    -17.98077639
  H     14.08887500      7.90400380    -14.07226953
  H     20.03559534      9.72853728    -17.00650828
  O     15.37773851     12.20558411    -11.41966413
  H     15.53433076      6.00865696    -16.79686812
  H     19.18877235      8.44578598    -16.82242007
  O     19.17200497      9.41705131    -16.75058913
  H     14.57512246      6.53765605    -15.68102112
  H     12.28125189     11.74131216     -9.77651601
  O     13.03113410     11.32967098    -10.19914630
  H     17.43189774      7.59601875    -14.37196302
  H     12.68266048     10.80369891    -10.94003378
          69
 Energy    -248.71246595172809     
  O     17.46233804      8.09374029    -12.94550707
  H     17.97296828      8.25806434    -12.14145178
  H     13.27876738      9.18291229    -15.14175664
  O     12.16224305     11.68067571    -10.92380650
  H     16.76501816      8.76707918    -12.97670174
  H     11.40913911     10.83890030    -15.63017308
  O     18.57465960      8.22563699    -15.40982987
  H     12.89717358     11.08474672    -10.69774710
  H     12.39883375     11.21310632    -14.50081658
  O     10.97097318      9.53943853    -12.43827858
  H     11.92287743     12.14037239    -10.12351106
  H     15.05896085      7.45381291     -8.48038913
  O     15.85909817      6.14577435    -11.81701561
  H     19.02227309      7.42007572    -15.65384211
  H     15.42137137      7.36603778     -6.98132395
  O     18.71547096      8.70708059    -10.56289766
  H     18.19782599      8.08352706    -14.52310491
  H     14.03646111      9.00289600    -10.29245866
  O     20.02684741     10.87868889    -11.78037895
  H     11.21818763      9.79266132    -13.33504549
  H     14.58478478      9.88536002    -11.44240376
  O     16.63180517      9.99834394     -9.19411089
  H     11.23476253     10.28058813    -11.88030682
  H     18.12884824      6.96453276     -9.91642312
  O     11.91193492      7.06994133    -11.60389928
  H     16.38002149      6.78550593    -12.32346273
  H     17.04227212      6.60202880     -8.89681737
  O     16.37999891      9.76370549    -16.37863667
  H     16.41972890      5.93454129    -11.05602710
  H     16.47723094     12.48899999    -12.44620473
  O     13.78126585      6.21119023    -13.67499814
  H     18.00933269      9.16951355    -10.08744251
  H     16.43008269     12.54169358    -14.01626848
  O     14.08543493      8.64783142    -15.13508543
  H     19.30271957      9.39180133    -10.90811959
  H     14.88904289      9.48379896    -13.75662435
  O     11.98824393     10.46452512    -14.97152893
  H     20.88257493     11.28482673    -11.67039718
  H     15.55654492     10.76515298    -13.13991907
  O     15.76305014      7.62865411     -7.83235159
  H     19.85958005     10.83339434    -12.73860080
  H     19.30279546      9.89445641    -14.82052782
  O     14.21012328      9.91791527    -10.54835894
  H     15.79130288     10.08737666     -9.66701193
  H     18.81425717     11.35122523    -14.81475743
  O     17.54849160      6.24476965     -9.63626419
  H     16.46960629      9.30439073     -8.54370008
  H     16.92178005     11.35804981    -15.92977327
  O     15.88913329     12.52456254    -13.21630195
  H     12.40025882      6.75914108    -12.37371530
  H     17.36430674     12.77572907    -16.36522052
  O     15.37891187      9.82565635    -12.99801912
  H     11.50714407      7.91015939    -11.86645656
  H     14.67914267      6.85478193    -10.55260554
  O     19.47183812     10.75978893    -14.42899103
  H     17.10436830      9.15876892    -16.17372735
  H     13.16699545      7.11122163    -10.36827361
  O     17.31019068     12.19347338    -15.61191843
  H     15.57025558      9.33630256    -16.07257934
  H     18.40864664     11.75849450    -11.27630497
  O     14.02783747      7.20783931     -9.93148010
  H     14.49637888      6.10247811    -13.02725904
  H     17.25024994     11.53867877    -10.29328865
  O     17.52945009     12.07942001    -11.04019494
  H     13.62522953      5.34587031    -14.04827278
  H     12.75189614     12.32443080    -12.60333157
  O     13.09095184     12.44718624    -13.49924100
  H     13.89423150      7.80399036    -14.70723340
  H     14.03866968     12.61247712    -13.41087577
          69
 Energy    -248.71244494735006     
  O     16.22112372     10.22401186    -16.91256186
  H     15.38864215     10.60207713    -16.60613693
  H     21.00470167      8.90650784    -17.39566819
  O     14.83077268      6.43709085    -13.45415224
  H     16.53730103      9.65812332    -16.18950958
  H     17.99333420      8.53637191    -14.57076096
  O     18.76654419     13.73036865    -11.76055450
  H     15.46098434      6.17911941    -12.76054069
  H     16.56464642      8.80399014    -13.99520756
  O     19.75913051      7.93032562    -14.28972628
  H     15.21607627      6.10183065    -14.26903845
  H     13.63114660     10.01466576    -15.47753567
  O     14.47241535      6.89083062    -17.43187304
  H     19.17891081     13.06847016    -11.17652729
  H     12.99102650     11.35223638    -15.91697544
  O     17.15337994     10.84877312     -9.10703238
  H     19.23800331     14.54813473    -11.62943701
  H     17.39024407      9.23949065    -10.02964809
  O     15.50431099      8.98282906    -12.50661157
  H     20.02914412      8.09627100    -15.20270160
  H     18.26079567      8.95849322    -11.27346245
  O     18.20376376     11.89111682    -13.82260725
  H     19.54672747      6.99343533    -14.19468077
  H     13.67196828      7.83175212    -16.10202790
  O     18.69522518      5.33760508    -13.97917626
  H     15.15966697      6.42444956    -16.94216504
  H     13.62234143      7.70278897    -14.57071412
  O     16.71185321      6.10651075    -15.77121071
  H     14.94491685      7.39573672    -18.10470105
  H     18.93016484     11.38619390     -9.69522872
  O     16.94121144      5.98825831    -11.74064980
  H     16.76134934     11.01389734     -8.25373365
  H     19.78920803     10.98051031    -10.90505197
  O     20.19072890      8.72536173    -16.93269223
  H     16.74988867     11.48177086     -9.72771829
  H     19.72758953      9.16203742    -12.97221719
  O     17.06574093      8.65643842    -14.80677279
  H     15.12869070      8.12804027    -12.75334120
  H     18.99448234     10.52758646    -12.88425753
  O     13.81638238     10.95649425    -15.65052329
  H     16.15573237      8.82625509    -11.80872617
  H     15.82267163     12.37304355    -11.75069731
  O     17.56712471      8.58036055    -10.71296260
  H     18.44066988     12.62514567    -13.24156537
  H     17.00935640     13.17484025    -11.18672481
  O     13.41650597      8.30153536    -15.29332129
  H     17.24489414     11.78062247    -13.75434816
  H     18.92574846      7.46115111    -17.63236593
  O     19.67768403     11.67019345    -10.23574582
  H     17.97712602      5.47045163    -14.61904157
  H     17.60495269      7.37581345    -18.42445418
  O     19.42143835      9.83896314    -12.35465521
  H     19.01084777      4.44511802    -14.10163590
  H     14.85197209     11.52719410    -14.16522434
  O     16.23511099     12.66081996    -10.92611405
  H     17.26198139      6.18077351    -16.56847369
  H     15.38673076     10.66233010    -13.01073270
  O     18.22781692      6.85229077    -17.90323713
  H     16.70661713      7.00313601    -15.39816386
  H     18.76651913     11.40489995    -15.54674153
  O     15.44037677     11.54858344    -13.40277827
  H     17.23438383      6.77475461    -11.26240271
  H     17.97028610     10.92837010    -16.76603480
  O     18.87114516     11.04274371    -16.43660988
  H     17.65104127      5.75582526    -12.34958801
  H     16.09076400      8.96995363    -19.87128489
  O     16.21154388      8.50954660    -19.04502963
  H     19.75717983      9.58501175    -16.78201625
  H     16.20770522      9.18249739    -18.34260703
          69
 Energy    -248.71241617299870     
  O     16.49155641      4.01901747     -9.40597681
  H     16.14830429      4.83759853     -9.02609392
  H     12.54864138      6.57074267    -15.41054262
  O     13.28675673      7.92703782    -12.57498563
  H     15.73886068      3.59814072     -9.84303150
  H     15.56719052      5.76428238    -12.25440188
  O     12.81465702      7.43342321    -17.01401826
  H     13.80412507      7.19828737    -12.19500721
  H     14.52082324      4.96414972    -11.44077783
  O     16.87807389      9.84568934    -11.32688931
  H     12.82119640      8.35281204    -11.84590152
  H     19.28631263      4.28072501    -10.95133382
  O     15.36969658      6.63143581     -9.06972070
  H     12.19869597      7.81114575    -17.63553957
  H     17.80966638      4.41201523    -10.50899844
  O     17.80354851      7.44163255    -10.42724331
  H     13.45722517      8.13242169    -16.79314765
  H     11.41310500      9.42190316     -9.91888472
  O     11.51566333      4.06847440    -12.99499134
  H     17.27980668      8.99405561    -11.07925902
  H     12.19676115      8.09539190     -9.76038885
  O     15.02848579      5.64555278    -17.41136517
  H     17.55073497     10.50981171    -11.19674883
  H     12.14785798      5.70896831     -9.45303453
  O     14.75803885      9.21787543    -16.41132788
  H     15.20219930      6.40405587     -9.99951520
  H     13.39411456      6.41413728     -8.85930514
  O     16.91482345      7.61164164    -17.38570321
  H     15.21922606      7.58708825     -8.99134666
  H     14.64288482      8.87837666    -13.32488550
  O     17.47400486      7.60635666    -14.60821618
  H     17.11992570      7.18204235     -9.79849708
  H     15.92898107      9.62181289    -12.90100755
  O     12.59587007      6.13958049    -14.54835060
  H     18.17562129      6.61500620    -10.75312047
  H     13.99193199      9.37234289     -9.64472060
  O     14.80546226      5.85846732    -11.66618326
  H     11.75419149      4.81373393    -13.56271159
  H     15.47847498      9.62955669    -10.00399495
  O     18.47074680      4.73393534    -11.14725496
  H     12.12567287      3.35773842    -13.22585156
  H     11.47248879      4.17347255    -11.26053936
  O     12.18832743      8.95553488    -10.21890114
  H     14.99965618      5.07661781    -16.63187654
  H     10.81826130      3.66928355     -9.95140281
  O     12.45462556      6.52684573     -9.04238886
  H     14.21006885      6.15781213    -17.39511414
  H     17.52905199      5.02557909    -12.72040174
  O     15.42819543      9.32470503    -13.67137842
  H     14.97195224      9.39581889    -15.48589690
  H     17.18682912      6.10170700    -13.81313370
  O     14.89312072      9.31232329     -9.30558915
  H     15.54854422      8.81933653    -16.79710733
  H     13.29558367      3.42057879    -10.54261578
  O     11.58152072      4.12804958    -10.29330985
  H     17.44294773      7.59610581    -18.17893928
  H     14.08804750      2.78834633    -11.71840714
  O     16.88072007      5.28565822    -13.38467965
  H     16.30339944      6.85578857    -17.43973579
  H     14.13356655      2.94514168    -14.04475460
  O     14.18681615      3.23614345    -10.86794611
  H     16.79805031      8.22001207    -14.29115257
  H     13.78542435      1.44143207    -13.94787065
  O     13.71472661      2.27049136    -13.48232441
  H     17.40745181      7.60992761    -15.57100413
  H     14.05417911      5.01922091    -14.71607502
  O     14.75443221      4.36919825    -14.87689348
  H     12.75712191      6.83300447    -13.89237839
  H     15.54697462      4.65596514    -14.39895660
          69
 Energy    -248.71230149987181     
  O     14.83467698     14.52972018    -17.00475999
  H     15.06506083     13.63316411    -17.30512225
  H     14.48708304      9.32788693    -16.41444002
  O     17.62594748      7.48560426    -14.66034463
  H     14.37765202     14.95181287    -17.72846912
  H     17.68906356      8.31840038    -16.24690016
  O     14.34269278     11.26767301    -11.61433245
  H     18.09647842      7.90726514    -13.93282693
  H     18.43623305      9.44964917    -16.99470009
  O     17.40199442     15.09223901    -15.94926254
  H     16.73142091      7.31934638    -14.33569006
  H     15.13641600      8.73112268    -18.87290822
  O     14.96925362      7.50580962    -13.66239875
  H     13.79820402     11.04941565    -10.84824589
  H     16.17651078      9.10846860    -17.78698091
  O     12.68595992     10.17314232     -9.62285378
  H     13.77042529     11.17706076    -12.39109512
  H     17.90984636     14.29275256    -14.25424788
  O     14.17560341      7.91132554     -9.93972540
  H     16.48489369     14.97223429    -16.23890438
  H     18.43488372     13.00335571    -13.58842893
  O     16.10739062     11.48400010    -14.86910346
  H     17.57654944     16.03052183    -15.99056001
  H     13.93846298     13.72170152    -14.03158219
  O     12.67122698     11.03756700    -13.86342192
  H     14.18226220      7.16870734    -13.21748947
  H     13.65044021     13.95553798    -15.51680268
  O     16.09521286      9.10411689    -11.69725193
  H     14.67319120      8.13420914    -14.33802853
  H     17.80488837      9.06454745    -12.07822479
  O     18.77288912     11.22605791    -14.12420571
  H     12.40399158     10.33326178     -8.72673554
  H     19.25882727      8.66488848    -11.73195378
  O     14.33444411      9.47743518    -15.47475330
  H     13.20177475      9.34693822     -9.61529298
  H     12.04641877      6.14903631    -12.19790116
  O     17.68995902      8.84559431    -17.06012386
  H     13.69093508      7.40163584    -10.60165947
  H     12.18821605      7.69003657    -12.17374511
  O     15.28715303      9.31486812    -18.13556501
  H     14.96597446      8.23529858    -10.39058971
  H     16.32559096     13.65590593    -12.91858256
  O     18.05790569     13.87293986    -13.39783646
  H     15.78261043     12.17219457    -14.27588329
  H     15.15608750     12.80223896    -12.28898664
  O     13.25736545     13.60559365    -14.71211555
  H     17.03175551     11.32437578    -14.63924013
  H     17.50178231     12.57386254    -17.74650726
  O     18.70789019      8.99744850    -12.43566147
  H     12.73038039     11.94059795    -14.20817744
  H     18.22932931     13.71267720    -17.02490955
  O     12.68749116      6.85339443    -12.15738163
  H     13.10998465     10.46109063    -14.50290856
  H     15.88297762     11.85584258    -16.59834127
  O     15.37865489     13.46044581    -12.96077387
  H     15.71759767      8.54339539    -12.39189021
  H     15.49763186     11.15874415    -17.92293215
  O     18.38266380     12.92720020    -17.56257190
  H     15.57291904      9.91757844    -11.67605957
  H     11.71580722      9.90875050    -12.73551181
  O     15.72193016     12.01563604    -17.54293280
  H     19.23218876     11.01663819    -14.94764033
  H     11.69343362      9.64659446    -11.21363566
  O     11.44835702      9.26492026    -12.06516104
  H     18.85063820     10.46540768    -13.53441120
  H     19.35280771     11.57929471    -17.05139395
  O     19.78731475     10.78253409    -16.69702574
  H     14.99844983     10.12906339    -15.19628657
  H     20.65085183     10.73594206    -17.09821570
          69
 Energy    -248.71202193509822     
  O     15.04996569     12.66871580    -13.01422180
  H     15.47298870     11.91422393    -12.58434118
  H     17.45793707     10.48525975    -16.64878869
  O     17.06095298      7.73765018    -11.39859399
  H     14.12709535     12.64185711    -12.73249538
  H     14.76395496     10.02382392    -15.16010388
  O     17.89060819      9.04194127    -15.55783018
  H     16.81820818      7.55746080    -10.48203125
  H     16.16145120      9.32103579    -15.00380770
  O     13.66030973     11.06483757    -16.23539445
  H     16.52277802      7.15099278    -11.95276382
  H     12.07559675     11.65526785    -12.93659923
  O     13.83102760      8.72002099     -8.31252955
  H     18.36386149      8.81697931    -14.74731331
  H     11.62119830     12.85488243    -12.07054097
  O     12.24598438      7.77141099    -11.39815918
  H     17.89140729      8.24658845    -16.10850704
  H     14.62946918      5.71964006    -11.46881877
  O     15.80115819     10.13989768    -12.03186223
  H     14.21257352     11.85005204    -16.11815598
  H     14.75347330      6.16063441    -10.00001405
  O     15.10465232      7.12532006    -17.43593463
  H     13.92691367     10.64806071    -17.06497620
  H     11.64870298      7.76393414    -12.99207513
  O     17.71697384      6.65456736    -17.02057375
  H     12.99283062      8.27299592     -8.20513819
  H     10.53926205      7.34826445    -13.98977357
  O     13.91016712      7.07702714    -14.89342668
  H     13.69356254      9.35004001     -9.03807112
  H     18.44203201      7.98103203    -12.48957318
  O     18.02621723      5.62482208    -14.38064992
  H     12.63560040      8.61021367    -11.12524065
  H     19.94198775      8.21576334    -12.77545995
  O     16.98555562     11.10508810    -17.22112719
  H     12.85184964      7.07315895    -11.11126184
  H     16.44651462      5.68441299    -13.49094123
  O     15.28455892      9.42552591    -14.61058928
  H     15.54551210      9.90237374    -12.93732460
  H     15.00700748      6.24854670    -13.66477923
  O     12.33715077     12.23941322    -12.20074063
  H     16.31824891      9.39388086    -11.70697887
  H     16.36879587      6.82146690     -8.05557613
  O     14.11996211      5.85499274    -10.65739294
  H     14.94157772      8.01456061    -17.77177265
  H     15.28391710      7.76666700     -8.61850884
  O     11.37582744      7.80100509    -13.92844273
  H     14.58802567      7.02575550    -16.62453447
  H     14.87663283      9.99741407    -19.35379912
  O     19.10202464      8.05820559    -13.19917094
  H     16.76585877      6.75205164    -17.20930568
  H     15.70419747     10.26948894    -18.07310764
  O     15.65368486      5.95849186    -13.00829002
  H     18.12138342      6.30438491    -17.80934249
  H     12.97361450     10.94568989    -11.00333766
  O     16.01880242      7.17991735     -8.86711135
  H     14.38516270      7.90947435    -14.74139541
  H     14.30670270     10.17159740    -11.05258749
  O     14.90899411      9.82300644    -18.41670152
  H     12.99539563      7.23392807    -14.63027587
  H     15.43242677     12.93577525    -14.68221861
  O     13.45616408     10.21996568    -10.59137897
  H     17.92708981      5.84990315    -15.31443957
  H     15.64444056     13.98037920    -15.80030492
  O     15.56411747     13.04356971    -15.64142500
  H     18.54214857      6.34323987    -13.99650899
  H     11.57411572      9.66364045    -14.19446745
  O     11.72955319     10.61339631    -14.25577039
  H     16.63879311     11.80185267    -16.65022927
  H     12.30791180     10.75681976    -15.01659837
          69
 Energy    -248.71152692448632     
  O     11.04954459      9.20054552    -15.65701586
  H     10.83472728      9.94577288    -15.07756315
  H     17.42429006      7.34433142    -14.23979848
  O     15.43746022      8.20479283    -11.12332873
  H     11.26526759      8.45774814    -15.08235672
  H     18.93787774     10.08785091    -14.46402888
  O     16.39778559     12.26161498    -14.61316046
  H     15.68808521      9.12082882    -10.96700697
  H     19.27826254      8.87769308    -15.34978895
  O     12.17850141      9.80562317    -17.99595075
  H     15.97266013      7.90357981    -11.86857467
  H     16.88611387     11.34666971    -17.51575709
  O     14.04535082     10.73055225    -14.42484443
  H     16.92373008     11.56086428    -14.19715126
  H     15.58350817     10.54806454    -17.29525217
  O     13.03045505     13.81829322    -12.35470362
  H     16.31702728     12.05320324    -15.55247378
  H     11.18046174     11.25345449    -13.14812021
  O     12.70265268      8.31793912    -11.64415293
  H     11.73308541      9.53607100    -17.16968677
  H     10.98330790     12.23287228    -14.30926469
  O     11.95343238     13.76013314    -15.02788564
  H     11.56272177      9.65079439    -18.70644035
  H     15.80782711     12.11652266    -11.43853462
  O     17.49221908      8.13716204    -17.88282138
  H     13.57789600     11.09484428    -15.18537338
  H     14.70850901     11.05732302    -11.37125627
  O     12.83919265     11.11824376    -11.97569589
  H     14.86622631     11.23377509    -14.35426448
  H     12.15137333      7.52356315    -13.05816119
  O     18.63588029      7.09521424    -15.64670435
  H     13.98534845     13.95818934    -12.37842039
  H     11.50131963      6.28608887    -13.72292689
  O     16.77232799      7.67319542    -13.60940714
  H     12.71589108     13.90747380    -13.26309902
  H     12.81473726     11.39939681    -17.30530484
  O     19.38501953      9.83532044    -15.28095761
  H     12.58474040      9.27369880    -11.59259759
  H     14.19129994     12.07216129    -17.05243959
  O     15.96451230     11.43725393    -17.24103162
  H     13.62680737      8.15654103    -11.40405448
  H     17.02198845     10.57583434    -12.40812597
  O     10.69847748     11.37499608    -13.97282698
  H     11.49994305     14.47219596    -15.47353005
  H     17.31116799      9.36024383    -13.31707889
  O     15.66163454     11.17668796    -11.27342542
  H     12.42521669     13.25989084    -15.71328512
  H     16.08934736     13.37601422    -13.26094820
  O     11.93005210      7.11489394    -13.91595746
  H     17.90314284      9.00279642    -17.99475622
  H     16.53945908     14.50038296    -12.29920760
  O     13.25667018     12.10136492    -16.80845253
  H     16.53878313      8.29451930    -17.87296483
  H     14.68152981      8.48796279    -16.61425765
  O     17.57069839     10.27777374    -13.14522332
  H     12.81556151     12.08630344    -11.92913975
  H     13.92760759      9.11184974    -17.81080509
  O     15.89027925     13.81082453    -12.41434612
  H     13.21138518     10.90625926    -12.84754679
  H     19.38860860     11.14640958    -18.17588066
  O     14.80854394      8.89106735    -17.48605908
  H     18.20342200      7.38093800    -16.47123940
  H     18.94802141     10.51670589    -16.83271909
  O     18.63567298     10.78600179    -17.71540089
  H     19.15293921      6.32280155    -15.85915483
  H     13.57204439      7.57213390    -14.62260038
  O     14.36941699      8.03710020    -14.90361565
  H     15.92568549      7.71326082    -14.07898958
  H     14.24070259      8.96885827    -14.66656772
          69
 Energy    -248.71143513388375     
  O     -3.83655512     -4.03934768      1.16671845
  H     -4.41610856     -4.23974991      0.43625649
  H      0.04714600     -6.40193168      1.81360648
  O     -1.87809557      3.05594044      3.91141431
  H     -2.93263345     -3.99909384      0.80759288
  H      1.20607646     -0.94730108      5.46000000
  O      2.59119609      0.33762372      2.81111563
  H     -1.14815453      2.48698015      3.62810010
  H      2.31897706     -0.72556196      4.41764890
  O     -2.12677345      0.13520394      1.51014016
  H     -2.15666090      2.70086825      4.76457061
  H      0.59284292     -3.26859742      3.16098623
  O     -2.77490652      1.48342662      6.14477781
  H      2.28524776     -0.25900154      2.10506622
  H     -0.79844742     -2.67916205      3.49232655
  O     -0.58794743     -0.25399545      5.68373776
  H      3.39228356      0.74931428      2.49882090
  H     -2.81062290     -5.48264964      6.34597668
  O      0.49629239     -5.82952864      5.22783410
  H     -2.73473208      0.88441354      1.54231509
  H     -2.55317394     -5.43589004      4.81657929
  O     -4.49304902      0.54020333      4.24189074
  H     -1.37100636      0.37801418      2.06509472
  H     -3.09913966     -1.16594868      2.33119646
  O     -0.75231955     -1.19568181     -0.59600884
  H     -3.26281575      1.73921943      6.92306978
  H     -3.84037198     -2.53387288      2.27636345
  O      2.08883470     -3.84517469      4.01758929
  H     -3.42055956      1.10131503      5.52348064
  H      2.40197313     -3.04197346      1.04719070
  O     -2.99350244     -5.84272590      3.23812169
  H     -1.06896156     -1.07223164      5.48550010
  H      2.65508728     -3.97939482      2.24402381
  O     -0.45841088     -6.69769974      2.58012045
  H     -1.25198436      0.37459374      5.99300183
  H     -0.26173075      0.53290946      4.08393299
  O      2.02289899     -1.32605514      5.11272289
  H      0.74503667     -6.52906797      5.82858520
  H      0.83108522      0.91618533      3.05531423
  O     -0.18563962     -2.84994303      2.76892455
  H     -0.41530825     -5.58654951      5.45091777
  H      0.84481822     -1.20015954      0.31700411
  O     -2.19794332     -5.16900538      5.68657263
  H     -4.42591412      1.17344222      3.51577783
  H      0.87182153     -1.79920512      1.72599960
  O     -3.64868181     -1.77855213      2.84405705
  H     -4.36406693     -0.32684397      3.83758213
  H      1.29251151     -6.24850682     -0.41520530
  O      2.66616643     -3.94184813      1.27714991
  H     -0.97766562     -2.12047340     -0.43311967
  H      1.56710879     -5.10199450      0.58557097
  O     -0.11139133      0.98767732      3.24228196
  H     -1.29529941     -0.68458973      0.02003595
  H     -3.12486799      2.71101399      2.72756309
  O      1.43748122     -1.38037989      1.05911292
  H      2.13137572     -3.01300294      4.51541300
  H     -4.19146172      3.07700022      1.66633623
  O      0.88040320     -5.70667590      0.25210921
  H      1.64816447     -4.50955097      4.56055118
  H     -2.09755773     -3.37242856      5.22945979
  O     -3.79472044      2.34121713      2.12394584
  H     -2.15850035     -6.19958526      2.89544103
  H     -2.66449758     -2.28396823      4.25075301
  O     -1.96334091     -2.48053165      4.88998968
  H     -3.36671165     -5.28757035      2.54657466
  H     -0.59666088     -4.53240937      0.18201270
  O     -1.22791644     -3.84528384      0.42479838
  H      0.04233452     -6.44280111      3.36206233
  H     -0.91058166     -3.49532875      1.27299006
          69
 Energy    -248.71123509547374     
  O     -1.06362056      1.87794438     16.49361330
  H     -1.15895269      2.82878519     16.35977295
  H     -1.56896357      4.99068501     10.10202194
  O      5.14759552      3.85877335     10.74408117
  H     -0.11789962      1.68917109     16.44473770
  H      4.54527114      1.08934823     14.47274145
  O      2.96557797     -1.17828354     13.27626396
  H      4.68885438      3.34956822     10.06484219
  H      5.08902341      0.37176612     15.72844188
  O     -1.41870310      3.61454170      8.68349147
  H      5.25076444      3.26238954     11.49534743
  H      1.39271834      4.41581053      9.46896936
  O     -2.02708454      4.59020419     13.29765502
  H      3.46967532     -0.77887505     13.99535459
  H      2.04885264      3.18038501      8.80927766
  O      0.35371523      1.27023559     11.54793070
  H      2.03628086     -1.07283300     13.52033917
  H     -2.92862024     -0.36254617     15.23765520
  O     -3.04007227      2.12060815     12.78329990
  H     -0.44304402      3.61276312      8.67850907
  H     -1.93188274      0.80374920     15.43425982
  O      4.71553392      2.12192320     13.03269116
  H     -1.69606743      3.98179975      7.84817602
  H     -1.53138122      4.71428727     14.98663259
  O      3.64002567      2.13688977      9.03147381
  H     -1.96370078      5.06983913     12.45912752
  H     -1.59851658      5.36898886     16.38553155
  O      3.93163706      4.53828442     13.99254042
  H     -2.48643687      3.75110911     13.13300603
  H      1.17957130      4.87723206     11.58015562
  O      0.32246076     -0.26131830     13.84989577
  H     -0.45357817      1.25565896     11.02383574
  H      2.26729652      5.88485783     11.12561943
  O     -1.44288543      5.62877881     10.81260130
  H      0.42415894      2.14643549     11.95848534
  H      1.19102701      0.80316361     15.06220885
  O      4.29866058      0.50773440     15.21249535
  H     -2.79493278      1.80900379     11.90452486
  H      2.56703244      1.07128188     15.70599024
  O      1.25908515      3.73066860      8.79807280
  H     -2.82293071      1.41513951     13.40490068
  H      0.68388425      4.38943139     15.64729080
  O     -2.30939428      0.19481401     14.77350903
  H      4.39650496      2.97336722     13.37784928
  H      1.62000387      3.14365660     15.56002918
  O     -1.16921771      4.67712075     15.88886462
  H      4.05094818      1.75151460     12.43662172
  H      4.61473131      6.90621343     11.50970244
  O      1.39237438      5.54240591     10.90784141
  H      4.03905457      1.59694045      8.35349119
  H      4.46265577      5.38629743     11.26506579
  O      1.64232591      1.34596791     15.72509599
  H      3.45476818      1.54776719      9.78349222
  H     -1.91640386      2.18457908      9.61905435
  O      1.55178554      4.08832260     15.35292089
  H      3.13380451      4.56410294     14.53653450
  H     -2.47209578      0.74252497      9.58715474
  O      4.01736532      6.17286213     11.62927888
  H      3.86129514      5.23188860     13.32760859
  H      2.06220428      0.91692184     11.26650429
  O     -2.09180614      1.40015775     10.16464653
  H     -0.59042063     -0.27713700     14.16007740
  H      3.11116881     -0.06149870     11.84192379
  O      3.00655305      0.70162092     11.25631241
  H      0.31288708      0.23587504     13.01875814
  H     -0.34966974      3.97255882     12.92376237
  O      0.56223775      3.68152160     12.78408468
  H     -0.49631774      5.82626604     10.80767875
  H      1.01878909      3.78605074     13.62740301
          69
 Energy    -248.71115161561971     
  O     15.35358332      5.36904272     -9.14085951
  H     16.01929504      5.11253094     -9.79002779
  H     11.80042356      7.82316314    -13.70891763
  O     13.99099104      7.70271067    -16.33069020
  H     15.58644236      6.26390454     -8.86326108
  H     16.55308402     10.66419434    -12.50424341
  O     17.68352748      8.57806709    -14.83129761
  H     13.41735392      7.90154817    -15.57007414
  H     17.07754274      9.45396600    -13.35852729
  O     15.92103019     12.38947565    -12.57262438
  H     13.41592421      7.47298285    -17.05625206
  H     14.14112253      8.50025624    -11.27768475
  O     10.69578927      6.78661689    -12.66730552
  H     17.13452686      7.78781673    -14.93138907
  H     15.23427285      8.78965456    -12.33083936
  O     18.28815881      4.93108383    -13.94244164
  H     18.46521322      8.29306289    -14.33583959
  H     12.43436930      4.34986811     -8.61255751
  O     12.28951167      4.66578118    -12.14056136
  H     15.46684795     12.41256622    -13.43070482
  H     13.64588163      5.04543765     -9.27065634
  O     17.82852747      7.83772643    -10.76538585
  H     16.37086315     13.22525423    -12.47531783
  H     19.16262049      7.55423456    -12.22420390
  O     13.58754308     11.46116466    -11.05411728
  H     11.21772387      5.97448859    -12.53263143
  H     19.26135120      6.51591607    -13.35701256
  O     14.63004732     12.24310173    -15.02023312
  H      9.78537437      6.51876164    -12.75925064
  H     15.59321945      5.34567075    -12.17100183
  O     12.38445221     11.12065239    -13.55683772
  H     18.63982110      4.22149149    -14.47516645
  H     14.65565677      6.53772694    -12.46828210
  O     12.52895301      8.31802401    -14.10529901
  H     17.56315257      5.32581836    -14.45249685
  H     15.06542399      9.26877224    -16.29452078
  O     16.74865896      9.72025101    -12.48884456
  H     13.18005276      4.88127034    -12.45067376
  H     16.47754322      9.63242527    -15.79644088
  O     14.44625385      8.25769010    -12.16007917
  H     12.36591023      4.60812420    -11.17924681
  H     15.41996443      6.64378103    -15.65276288
  O     12.68541316      4.90576445     -9.34548822
  H     17.49089904      8.54018871    -11.34036935
  H     15.61187168      5.98660914    -14.27338214
  O     19.51025131      7.41644118    -13.11362834
  H     17.34367481      7.93480312     -9.93625933
  H     11.95592408      6.61702380     -9.72001664
  O     14.84819266      5.62089331    -12.71989500
  H     13.03540126     11.34342360    -11.84126707
  H     11.27087949      7.38015068    -10.86897544
  O     15.65525628     10.01426421    -16.13008814
  H     14.40394831     11.84941014    -11.38293895
  H     17.45007650      6.09059256    -11.12076622
  O     16.08723908      6.25370856    -15.07624258
  H     14.44173728     12.86740902    -15.71605204
  H     17.66410632      4.91648105    -12.10547929
  O     11.65866895      7.49438205     -9.99475857
  H     15.00761223     11.45249475    -15.44642977
  H     15.23821483      8.50236998     -8.90485184
  O     17.20121856      5.17003787    -11.29889842
  H     12.31492740     10.19659577    -13.82585982
  H     16.19547845      8.42880468     -7.69353139
  O     16.04516506      8.07514381     -8.56654553
  H     13.06449688     11.50874887    -14.11920905
  H     12.94510148      8.66714214     -9.63723535
  O     13.77942202      9.15923056     -9.59923914
  H     13.22257636      8.35838977    -13.42779289
  H     13.65658948     10.02855376    -10.01124008
          69
 Energy    -248.71102456880135     
  O     -7.93087249     -2.10626527      6.26748831
  H     -6.98814573     -1.92913970      6.37131485
  H     -2.99946986      0.84923410      1.76234856
  O    -10.57931114     -2.02200234      2.76277158
  H     -8.39972343     -1.33626910      6.60981328
  H     -7.21594663     -0.77595794      3.19755376
  O     -8.67528743     -3.64913455      4.16088213
  H    -10.02093489     -2.66828165      3.20988755
  H     -7.56696314      0.65739293      2.70520991
  O     -5.61468241      0.37808008      0.04279537
  H    -10.59840712     -1.25642188      3.35315798
  H     -4.78945908     -1.66893541      5.49520009
  O     -5.98912734      1.01194215      5.62075858
  H     -8.44709090     -3.10938706      4.93945168
  H     -4.49088997     -1.91200626      6.99486960
  O    -10.30798935      1.83845649      0.53592593
  H     -8.82536586     -4.53580799      4.47745007
  H     -1.63982265      3.26998757      2.16077675
  O     -9.41712361      0.21487908      7.13930524
  H     -6.00761549     -0.47302399     -0.18285420
  H     -3.02284542      2.81177577      2.66880901
  O     -4.34273180     -1.84505473      3.84023038
  H     -6.34292844      0.88025683      0.44170326
  H     -8.56962745      5.15770602      4.26441901
  O     -4.70642669      3.22162361      0.15848143
  H     -6.53278281      0.69662764      4.87929890
  H     -7.65624480      4.18192027      3.50192207
  O    -10.10784807      0.19132267      4.41807923
  H     -5.62516734      0.22385324      6.04051794
  H    -10.52689801      1.77962971      3.62112127
  O     -7.21770433     -1.97817996     -0.17016829
  H    -10.90532576      2.30345657     -0.04286172
  H     -9.89132169      3.17833420      3.45177954
  O     -3.66723385      0.19769245      1.99904387
  H    -10.51062691      2.12777599      1.44444985
  H     -7.41386398     -2.96521677      2.99432764
  O     -7.48266819      0.10370627      3.49310733
  H     -9.90051544      0.31751439      7.95467673
  H     -6.90773607     -2.38995344      1.61982799
  O     -5.12460488     -1.52223687      6.39939117
  H     -8.99674353      1.07350439      6.95339851
  H    -10.03018229     -1.39073623      1.17523968
  O     -2.43924071      2.82406678      1.89224774
  H     -3.96191911     -1.18583464      3.24778517
  H     -9.94843840     -0.07003538      0.37322550
  O     -8.41513845      4.22853786      4.10390759
  H     -5.12554904     -2.17864830      3.37833307
  H     -8.29277070      3.11166344      5.71143101
  O    -10.57717967      2.59709789      3.10468397
  H     -3.84473343      3.15441032      0.58936628
  H     -7.29729605      2.07796673      6.26865612
  O     -6.72836667     -2.43505413      2.56708244
  H     -4.92875736      2.32582381     -0.11881194
  H     -4.87223884      1.92943017      4.54809068
  O     -9.64801782     -0.98392050      0.38252677
  H     -9.19201343      0.12807166      4.10537081
  H     -4.30520585      1.46722191      3.19428747
  O     -8.13991624      2.51921791      6.45480930
  H    -10.06044958      0.16050297      5.38007367
  H     -7.29382219      2.55845095      1.61932226
  O     -4.42584487      2.24933086      3.75316976
  H     -7.30976633     -2.60729977     -0.88045323
  H     -8.53453162      1.85898598      0.94512579
  O     -7.63725093      1.72541097      1.27375820
  H     -8.10354827     -1.59756066     -0.01811761
  H     -5.65945165      3.35358292      2.96657196
  O     -6.24572631      3.86031855      2.38512029
  H     -4.32502298      0.19654572      1.28672110
  H     -5.79264277      3.86628464      1.52906587
          69
 Energy    -248.71075677379963     
  O     14.88004452      9.67004754    -11.56301722
  H     14.08519138      9.91977644    -11.06789828
  H     13.21312464      7.94443280     -6.98301367
  O     19.87289591      6.58200468     -9.04253972
  H     15.57752592      9.51843351    -10.91011462
  H     11.71206071      7.08341105     -8.68611794
  O     17.06593569      5.16872866    -11.85126879
  H     19.48607573      6.93106146     -9.86547971
  H     11.51909454      5.67245393     -9.28570055
  O     14.36160137      5.12275974    -11.21535684
  H     20.82022369      6.63109270     -9.14451030
  H     12.50905766      7.60284892    -12.20966630
  O     18.28622501      8.14644394    -13.83764964
  H     17.52373640      5.97540405    -11.57452181
  H     13.96188979      8.13969544    -12.11489954
  O     18.12786532      4.34084324     -9.29156705
  H     17.08056949      5.18318282    -12.81691547
  H     17.88089528      8.07237663    -10.72577315
  O     15.99892721      9.86137779    -14.06137531
  H     15.29236332      5.03161411    -11.46329652
  H     18.54229848      7.79696103    -12.11978419
  O     18.29717284      8.43399017     -7.46287740
  H     13.99126400      5.85899904    -11.72516272
  H     16.20286103      6.20850043    -14.74188219
  O     16.28460867      4.85043214     -7.35697246
  H     17.57557783      8.78895471    -13.95811732
  H     17.12626263      5.17434494    -15.42870904
  O     16.69945655      8.89707083     -9.64871501
  H     17.96236618      7.31604631    -14.20784225
  H     13.28761638      6.95283198     -4.64473174
  O     15.12996966      6.72849395     -9.08757379
  H     18.80927338      5.01719384     -9.18461990
  H     13.68511604      6.10001407     -5.87261849
  O     13.06079463      8.12359442     -7.91588221
  H     17.79641395      4.42945703    -10.19313323
  H     13.20832592      4.36896638    -10.06999340
  O     11.13101688      6.55445284     -9.24972151
  H     15.94973460     10.75423618    -14.39327652
  H     12.26011346      3.22358528     -9.65598540
  O     13.42599334      7.40084243    -12.43538394
  H     15.59512339      9.87128030    -13.17687388
  H     11.91475726      9.44637658    -10.54757766
  O     18.50047595      7.50003238    -11.19970148
  H     18.87917737      7.76949094     -7.85261614
  H     12.73445972      9.46212774     -9.24498735
  O     17.00737522      5.67182602    -14.62416736
  H     17.76871120      7.98168018     -6.79506747
  H     16.99631881      6.98597106     -4.63942846
  O     13.84966123      6.94594756     -5.41537366
  H     16.97723519      4.58552313     -7.98101091
  H     15.70794174      7.06995393     -5.48089689
  O     12.55706708      4.09460031     -9.40320181
  H     16.65600073      5.46735102     -6.71618090
  H     13.16747896      4.41806973     -7.60295735
  O     12.60037670      9.93523108    -10.07696551
  H     16.12221930      8.13828526     -9.46906762
  H     14.55090881      4.49783918     -6.93677361
  O     16.67342847      6.99780678     -5.53830082
  H     17.27215951      8.96834285     -8.87255654
  H      9.98378043      8.14451744    -11.75286032
  O     13.60334922      4.60921335     -6.76537185
  H     14.83689093      6.21419893     -9.84930927
  H     10.88926345      7.48697285    -10.68126878
  O     10.88890674      8.06585147    -11.46569897
  H     15.53396603      6.10296626     -8.47279094
  H     14.25125747      7.26439793    -14.09845368
  O     14.88521087      7.34658284    -14.82338169
  H     13.77903081      7.66206974     -8.37629249
  H     15.23551477      8.24311944    -14.74619952
          69
 Energy    -248.71055777593466     
  O     18.61587496     14.80625791    -16.21253819
  H     19.40852684     14.43695104    -16.61883848
  H     18.44015044     10.25606031     -9.83423851
  O     21.67406821      9.36276841    -14.97293781
  H     18.90322351     15.21092013    -15.38375915
  H     20.72443531     16.46944725    -10.86130347
  O     19.01951531     13.13355325    -10.13134284
  H     22.45451663      8.82111823    -15.05930353
  H     20.72852410     17.94930917    -11.31598241
  O     19.88260905      9.60034470    -10.56124680
  H     21.93946923     10.16165633    -14.48383130
  H     20.60296646     12.36754090    -10.71388883
  O     15.61785123     10.48380180    -11.46996786
  H     18.54584132     13.42900164    -10.92287767
  H     22.13595856     12.53222559    -10.59393546
  O     20.40411557     10.99924535    -16.96309060
  H     18.52007616     12.38742321     -9.77915316
  H     17.52067018      9.31581620    -13.72214117
  O     21.88214429     14.28142870    -14.57816837
  H     20.56747702     10.27762334    -10.62982613
  H     16.22060995      9.78736056    -13.05341227
  O     20.72956658     15.28531229     -9.58523802
  H     19.71963294      9.29244607    -11.46258189
  H     21.42513771     13.78329291    -18.03735133
  O     22.08315849     11.70495432    -13.62415273
  H     16.28847221     10.61887104    -10.78797740
  H     20.85156928     12.66649210    -17.13383127
  O     15.65847354     12.49839585    -13.67030523
  H     15.36373858     11.35748397    -11.78067960
  H     22.43611273     16.16026186    -12.16133267
  O     17.76528476     11.06287787    -16.10844115
  H     20.83759552     10.35703606    -16.38982540
  H     22.87206040     15.10885453    -13.19794751
  O     17.67291064     10.73999956     -9.47869780
  H     19.45240277     10.90087333    -16.81796572
  H     19.93029351     16.18722234    -13.01481551
  O     20.81463943     17.05511294    -11.63489494
  H     21.07418384     14.69585552    -14.24037696
  H     18.91151408     15.03153201    -13.22039741
  O     21.44676966     11.95105076    -10.94046502
  H     21.72808026     14.11402751    -15.51631554
  H     23.27125690     14.49027215    -10.94255584
  O     16.66183491      9.71614109    -13.91282624
  H     21.58798997     14.84502936     -9.59330018
  H     24.07656930     14.01620090     -9.70837276
  O     21.05039874     13.61882756    -17.17598858
  H     20.06825495     14.58231977     -9.64497934
  H     20.09853788      9.00710111    -13.88069866
  O     23.12293983     15.50997508    -12.35615381
  H     21.91253290     11.74994832    -12.67161813
  H     19.24957498     10.16497372    -13.34307595
  O     19.57114794     15.57823182    -13.67155103
  H     22.17482509     12.61189721    -13.94773877
  H     20.25101404     11.92981501    -13.96307765
  O     23.22485792     13.95244158    -10.13154073
  H     16.00528042     11.60323945    -13.77867908
  H     18.89812512     11.73755934    -14.73919360
  O     19.35767062      9.20201688    -13.29564162
  H     15.72272799     12.90168002    -14.54582264
  H     15.72014238     13.81929376    -16.95800051
  O     19.29073342     11.92717607    -13.87727488
  H     17.29255848     10.49430002    -15.48476553
  H     17.09111211     13.99167923    -16.26036841
  O     16.28106703     13.45043592    -16.28104862
  H     17.20152160     11.82730953    -16.28319402
  H     16.95593173     13.49732211    -12.79676454
  O     17.84722219     13.74865979    -12.52767990
  H     17.48395402     10.36285927     -8.62288914
  H     18.42122297     13.09658874    -12.96577119
          69
 Energy    -248.71021465292125     
  O     16.68695920     11.16397510    -14.41733147
  H     16.71224308     10.22043554    -14.64256986
  H     17.53357914      5.16926416    -13.23777995
  O     14.85181622      5.44350287    -15.26912393
  H     15.92879414     11.30187469    -13.83734646
  H     20.07276786     10.73832824    -15.08370395
  O     18.48733959     11.22867305    -10.73966025
  H     15.09137909      6.03061652    -16.00075586
  H     21.21970790     10.98463351    -16.08986793
  O     19.79028411      7.87103520    -15.08055823
  H     15.67700506      5.15794080    -14.86135946
  H     17.90817701      8.23376617    -15.04804078
  O     14.01145738      9.72343265    -17.39758592
  H     17.61794680     10.80866876    -10.81366183
  H     16.50600196      8.10270379    -15.71820334
  O     17.59422511      7.81423217     -9.49274991
  H     18.78188527     11.39324866    -11.64266131
  H     13.94164417     10.74498588    -13.41740452
  O     15.55090025      7.76337564    -12.72203564
  H     19.88444640      7.93462380    -14.11930573
  H     13.80501883     12.11819571    -12.72134810
  O     18.75254892      5.68493212    -16.35674596
  H     20.14665814      8.68555994    -15.45550007
  H     17.68021452      6.59357574    -10.88534665
  O     13.11924859      6.92465553    -13.83305201
  H     13.41949485     10.03717610    -18.07551724
  H     16.82261959      6.72628695    -12.14482588
  O     17.96875594      7.16419982    -18.48309527
  H     14.75823204     10.35045753    -17.36105766
  H     13.48617243      9.68751971    -15.56512621
  O     15.55188393      7.41065631    -17.11152736
  H     18.45743889      8.24023266     -9.41809611
  H     13.14233743      8.72838682    -14.40142993
  O     17.36037951      4.65617008    -14.04280909
  H     16.98794699      8.51291493     -9.76460930
  H     19.54286999     10.04062246    -10.03043602
  O     20.44534267     10.44991077    -15.93399858
  H     14.66752678      7.47445533    -12.97462623
  H     20.74246887      9.54639272     -9.18342817
  O     16.97589896      8.45884179    -14.95287685
  H     16.01599691      8.01523183    -13.53463203
  H     19.90061123      8.54935866    -11.51365033
  O     14.37820638     11.36006620    -12.80042559
  H     18.26350535      5.25573925    -15.64671074
  H     18.90879683      7.59555667    -12.21495763
  O     17.62464866      6.29715027    -11.80489026
  H     19.27156728      6.38002631    -15.92364869
  H     15.90209962      9.08312718    -11.53932319
  O     13.29304724      9.65589372    -14.62082150
  H     13.67369345      6.33016739    -14.37094767
  H     15.41890761     10.51027798    -11.37906334
  O     20.05950798      9.25267438     -9.77925095
  H     12.38074613      6.40933326    -13.52111866
  H     18.37840758      9.03195564    -18.13560229
  O     19.57814087      8.27301274    -12.38011337
  H     18.26287516      6.56907162    -17.76975479
  H     19.14598622     10.12051898    -17.33884734
  O     16.02589131      9.87027487    -10.98895966
  H     18.23656381      6.76166721    -19.30496874
  H     19.26796881     10.02595467    -13.10934050
  O     18.42916457      9.97991636    -17.96782749
  H     16.28084978      7.36387375    -17.74358471
  H     18.34189264     11.08715402    -13.79135027
  O     19.24883745     10.91457020    -13.49133086
  H     14.99243345      8.16724438    -17.33078776
  H     16.33175159     11.48332252    -16.25056448
  O     16.14469536     11.32173649    -17.18330265
  H     17.46648153      3.73847650    -13.79929738
  H     16.94085098     10.90367193    -17.54467097
          69
 Energy    -248.70990009452447     
  O     -0.49636697      1.15049985      2.04189301
  H     -0.91067454      0.41713632      2.51366114
  H      4.49366684     -0.18618907      1.80801578
  O     -2.66307580     -1.00593045      0.22755783
  H     -0.02504492      1.66756866      2.70786536
  H     -0.03216410     -2.73684183      1.63238114
  O      1.66268454     -2.24373627      2.06230747
  H     -2.11807684     -0.63540731     -0.48337810
  H     -1.09473379     -3.84400259      1.48216899
  O     -4.34288863      0.76537429      1.36329078
  H     -2.13733988     -1.70676781      0.62485991
  H      2.51070635      3.29181498      1.66178788
  O      2.81221809      2.20840415      0.18799596
  H      1.42054651     -2.09562404      2.98592963
  H      1.88092299      4.66330106      2.00354935
  O     -0.90895459      0.07197465     -1.61801379
  H      2.57189536     -1.90920594      2.00415089
  H      3.93313076      3.18892264      3.29841974
  O     -3.21435658      1.14076111      3.97273698
  H     -5.23921117      0.54563502      1.12568388
  H      4.98859306      2.18990372      2.80194724
  O      0.67722495      5.79844592      1.14091222
  H     -3.77080424      0.08412532      0.96184768
  H      0.99677275      4.69971414     -0.40441823
  O     -1.88549748      3.42492699      4.66045011
  H      2.31053864      1.38184514      0.17187144
  H      0.39020761      3.68254327     -1.40030964
  O      0.72144964      2.52495814      4.10198933
  H      2.33476361      2.84566082     -0.36422611
  H      1.75525127     -0.74269392      4.74137281
  O     -1.39232043     -0.98932343      3.66578881
  H     -0.97624621      1.00800593     -1.83617334
  H      1.40189738     -2.01485543      5.54197061
  O      3.94269719     -0.81193471      2.29110134
  H     -0.08740294     -0.02501916     -1.11736925
  H     -3.18664487      2.11798240      0.80940736
  O     -0.98848297     -2.90423427      1.61056202
  H     -3.69435458      1.06036048      3.13939549
  H     -1.67415781      2.11515894      1.09734747
  O      2.35592604      3.91554957      2.38626284
  H     -2.67044140      0.34414295      4.03143765
  H      0.56088983      0.42527372      0.84325194
  O      4.58067932      2.54065063      3.60375957
  H     -0.16397672      5.49321414      1.52530684
  H      1.45808140     -0.81725692      0.75046352
  O      1.22433500      4.03165361     -1.06243610
  H      0.64318209      6.75102870      1.12337396
  H     -1.90710504      3.30153908     -2.46047263
  O      1.14733524     -1.50120088      4.77932512
  H     -2.38240983      2.62322849      4.41805016
  H     -1.73279274      2.85904467     -0.98846270
  O     -2.37471921      2.61186323      0.64530400
  H     -2.27100734      3.74907871      5.47027085
  H      3.50179987      1.26361098      4.32778033
  O      1.18567969     -0.03557453      0.25999213
  H      1.24121154      3.15025619      3.57359629
  H      1.97179253      1.28180161      4.41953288
  O     -1.27907451      2.93014289     -1.84550570
  H     -0.09934591      2.94433404      4.38555734
  H      5.95182414      1.52967519      0.40687175
  O      2.73574772      0.68757557      4.46414148
  H     -0.58155160     -1.11927223      4.17537630
  H      4.44040026      1.73129869      0.66161270
  O      5.26643317      1.40155397      1.05701150
  H     -1.42501321     -1.70840415      3.02242192
  H     -1.97916926      4.14574999      1.58983950
  O     -1.61677190      4.81656032      2.18433736
  H      3.55300646     -0.30341422      3.01406315
  H     -1.73861507      4.46163869      3.07237970
          69
 Energy    -248.70989397462796     
  O     15.67284252      9.36845194    -14.58936041
  H     16.18016661      9.49348148    -15.40151231
  H     16.96891761     10.00404207    -17.82093754
  O     17.13598736     15.19011909    -16.35679678
  H     15.07539678     10.12334479    -14.52189664
  H     18.61141379     11.84238088     -9.39601530
  O     19.26127066     13.37500342    -10.14811148
  H     16.80768497     15.83911524    -16.97333278
  H     18.84091814     10.34488553     -9.68413663
  O     15.05872206     12.72654920    -11.91958068
  H     17.96412378     14.83559834    -16.73542533
  H     21.30480269     16.67976711    -12.53713540
  O     19.69791937      9.32858923    -11.12085061
  H     18.61597467     13.66813658    -10.80773093
  H     19.76859272     16.70028735    -12.69393208
  O     15.78973921     10.59316625    -10.19939989
  H     19.75978409     14.15327405     -9.87160855
  H     20.48913232     12.33623773    -11.03681176
  O     19.83506647     11.40843989    -16.89226553
  H     15.81989798     13.32148859    -11.93062864
  H     20.80034416     10.86038840    -11.34654023
  O     20.97811580     14.65898389    -14.92290714
  H     15.25603685     12.04473484    -11.26535722
  H     16.68289025      9.31764124    -13.13646264
  O     20.85115412     15.62373465     -9.70677492
  H     18.87636340      9.34243017    -11.63968874
  H     16.66972085      9.84227402    -11.66572563
  O     20.67705083     12.00434346    -14.20856984
  H     19.98701851      8.41961320    -11.09509783
  H     19.55643583     13.19394762    -17.25342062
  O     14.15589382     11.83843084    -14.29868972
  H     16.64101311     10.75973873     -9.75542240
  H     20.10280389     14.45317996    -16.56276915
  O     17.17350239     10.17070995    -16.90312834
  H     15.22683864     10.16156933     -9.56227432
  H     23.76763397     16.15394948    -13.35558477
  O     18.26839047     10.95693462     -9.20732679
  H     19.05873387     10.84553348    -16.80590765
  H     22.92231193     15.15565791    -12.52749044
  O     20.48369556     16.89472896    -12.07591211
  H     20.25502524     11.43822978    -16.02305932
  H     19.46216820     15.41831012    -14.29584871
  O     21.14213040     11.75573593    -11.45579739
  H     20.94883973     13.72201357    -14.67817899
  H     18.02898104     15.77292975    -14.73151505
  O     17.24706760      9.55012248    -12.38320215
  H     21.71922131     15.05765647    -14.45270217
  H     22.37947242     13.18586141    -11.26673444
  O     19.45401295     14.15543208    -17.21456891
  H     20.66313099     16.13215556    -10.51636310
  H     22.21604395     14.54252438    -10.54789084
  O     22.88270070     15.81965040    -13.23926960
  H     20.95440076     16.25585346     -9.00088685
  H     17.69199291     11.06498704    -13.34751296
  O     18.64396727     15.84291149    -13.99306087
  H     19.71279526     11.96650989    -14.10700737
  H     17.41196766     12.05021937    -14.53764016
  O     22.77173869     14.06347902    -11.17575920
  H     21.02233420     11.88691683    -13.31548862
  H     15.46057728     12.45990119    -15.42336048
  O     17.98468766     11.87642300    -13.78059669
  H     14.44792410     12.17072725    -13.43027450
  H     16.46728842     13.50129742    -16.04814772
  O     16.28500476     12.56244992    -15.91830840
  H     13.20761932     11.93187144    -14.32359773
  H     17.70575992     13.25421772    -12.71005664
  O     17.53034070     14.04808724    -12.18051109
  H     16.84749883     11.06548426    -16.70396840
  H     17.85345961     14.78628559    -12.71210804
          69
 Ord_Energy   -248.709869    
 O   -8.34432316      -1.52506530     -0.994932234    
 H   -8.67631817     -0.931074500      -1.67533422    
 H   -7.64535856      -1.03245366     -0.533972442    
 O   -4.21570873      -2.06554961      0.515329123    
 H   -3.45387602      -1.47975636      0.606324077    
 H   -4.29555178      -2.53367829       1.35784745    
 O   -3.76044869       2.12914944       1.58255351    
 H   -4.36620331       2.23537946      0.834337592    
 H   -3.15142155       1.41448557       1.36273575    
 O   -6.30758810     -0.254675925      0.330901951    
 H   -6.03526306      0.621365011       3.19208503E-02
 H   -5.53792048     -0.840255737      0.337838620    
 O   -5.21222353       3.26922131       5.51276302    
 H   -6.13858843       3.45787001       5.27617311    
 H   -5.10051632       3.52634072       6.42356014    
 O   -2.94966984      -1.14628243       3.67333674    
 H   -3.53529453     -0.426597863       3.94947124    
 H   -3.50225496      -1.93452406       3.60921431    
 O   -6.91887140     -0.301082402       2.99105406    
 H   -6.15322590       9.02235210E-02   3.43281889    
 H   -6.75170040     -0.244292617       2.03725195    
 O   -9.15632820      0.625170708      -2.67959118    
 H   -9.87643909      0.657193542      -3.30358100    
 H   -9.45207500       1.11047208      -1.88633263    
 O   -9.88225651       1.91809940     -0.440005302    
 H   -10.3146772       1.45351827      0.286660761    
 H   -9.23280048       2.50805092      -3.63177210E-02
 O   -2.17414761     -0.225036085       1.24646568    
 H   -2.35282731     -0.560030162       2.14486241    
 H   -1.22959292     -0.263294339       1.12035561    
 O   -6.58097410       1.74594092      -2.92300677    
 H   -6.19354963       1.46408975      -3.74845529    
 H   -7.46429539       1.34962904      -2.89366889    
 O   -10.9452314      0.511288822       1.81416786    
 H   -10.5549927     -0.374353677       1.70058298    
 H   -11.8603697      0.380687445       2.04713178    
 O   -7.88313913       3.28418851       1.00947368    
 H   -7.60951948       4.12839746       1.38970852    
 H   -8.15500259       2.72458434       1.75126517    
 O   -4.69327307       1.00447822       3.97090340    
 H   -4.41397429       1.42158616       3.14258742    
 H   -4.84616995       1.71445155       4.60604715    
 O   -4.61811495      -3.37996507       3.03506851    
 H   -4.41044474      -4.29957199       3.18528080    
 H   -5.58643198      -3.31589055       3.03830981    
 O   -4.43936396       4.48185062       3.02197385    
 H   -4.07490635       3.76096845       2.49268675    
 H   -4.54987288       4.13180971       3.91487503    
 O   -6.68125725      -3.56569433       1.26879998E-02
 H   -5.80039978      -3.19045162      -9.53578427E-02
 H   -7.27387524      -3.01828575     -0.520665586    
 O   -7.34983015      -3.03021574       2.67235875    
 H   -7.16643715      -3.22535276       1.73852491    
 H   -7.25410414      -2.07599831       2.81898975    
 O   -5.69200325       2.33623910     -0.384306371    
 H   -5.92496157       2.22979498      -1.31737697    
 H   -6.45908976       2.71901584       6.72191530E-02
 O   -8.78688049       1.71586430       3.13797832    
 H   -8.16913223      0.971100330       3.17450190    
 H   -9.61775780       1.36516654       2.79512095    
 O   -6.88881063       5.48471737       2.40736723    
 H   -5.97765160       5.18220425       2.57330155    
 H   -6.84915638       6.42975950       2.29017591    
 O   -7.70464373       3.83547711       4.62674999    
 H   -8.17871761       3.09928703       4.21610785    
 H   -7.56845331       4.48967600       3.93067169    
 O   -9.77140999      -1.88658762       1.39831948    
 H   -9.16287136      -2.39643168       1.94107068    
 H   -9.36592007      -1.82893574      0.521326721    
          69
 Energy    -248.70978775230134     
  O     11.35562166      9.66278781     -9.25615369
  H     10.91368753     10.16263096     -8.57530155
  H     18.32338143      7.95257977    -16.93692567
  O     13.51606826      5.87902168    -15.72897092
  H     10.96635625      9.93692147    -10.10644602
  H     15.73355281     11.21435513    -13.11310241
  O     18.58416862      8.89199712    -11.17209743
  H     14.26314402      5.37049237    -15.36104102
  H     15.30573184     12.58342903    -13.68870121
  O     16.39508264     10.60294083    -16.28527309
  H     13.06328375      5.30173736    -16.33704553
  H     16.16151048      7.23108362    -13.14676111
  O     12.93077283     10.20520099    -13.13636763
  H     18.52260816      7.96145937    -10.92655907
  H     16.18999091      8.77986817    -12.97627184
  O     15.92189119      5.72250583    -12.13890399
  H     18.92914020      8.89668625    -12.07625031
  H     10.58254842      7.03163472    -10.89317711
  O     12.57016614      7.45291888    -13.61802714
  H     15.88801977      9.78767759    -16.40630548
  H     11.13742916      7.76941081     -9.66414459
  O     16.27204290     10.19441135    -11.77303530
  H     16.03434274     11.01901362    -15.49374601
  H     19.47155884      6.80380359    -13.62699093
  O     15.61237279      4.59912465    -14.65333571
  H     12.89454709      9.30718770    -13.49410677
  H     19.06840749      5.40673823    -14.13008006
  O     18.95854802      9.73259759    -16.50313517
  H     13.65721007     10.67696759    -13.55870674
  H      9.35585384      7.10933810    -13.24187881
  O     15.27251463      8.05229245    -16.18380536
  H     15.15200814      6.02014213    -11.63369291
  H     10.84791508      7.48743085    -13.09094778
  O     17.80659587      7.14344079    -17.02003690
  H     16.70490069      5.76709173    -11.57596397
  H     19.15048003      9.02566184    -14.77949305
  O     15.28898970     11.64502540    -13.86366753
  H     13.01812947      7.16777479    -12.80919389
  H     18.06215138      8.35370461    -13.91752732
  O     16.25037640      8.06661576    -13.62391040
  H     12.87869367      6.89939778    -14.34574253
  H     18.65455370      4.19064999    -16.31655686
  O     11.10694244      6.90464242    -10.09287728
  H     15.55640575     10.02383044    -11.14676191
  H     18.12322098      5.63926413    -16.21606248
  O     19.44817546      5.87007668    -13.37443885
  H     17.09548735      9.82147887    -11.42392625
  H     18.90403799      5.49597371    -10.26036150
  O      9.97489583      7.55450731    -12.66902414
  H     15.71982430      4.85638859    -13.72676691
  H     18.83357639      5.89105442    -11.75614693
  O     19.00669543      8.56829016    -13.94354618
  H     16.49772046      4.59666792    -15.03623565
  H     12.81317529      6.69262841    -10.67978346
  O     18.23382251      4.80669330    -15.72240451
  H     18.06805811     10.12434180    -16.44803304
  H     13.87593852      7.79647535    -10.84831429
  O     18.40685674      6.01422913    -10.88735587
  H     19.47504874     10.30197884    -17.06638034
  H     13.51448130      9.87874471    -11.42788710
  O     13.67072457      6.88252720    -11.08662279
  H     15.60292632      8.07011925    -15.26981620
  H     13.11234533      9.69099831     -9.94629810
  O     13.85700903      9.62636912    -10.55630391
  H     14.59771667      7.36649036    -16.20687370
  H     10.11709660      9.36891867    -12.09234031
  O     10.45932276     10.21137882    -11.76643544
  H     16.89032235      7.40419109    -16.85550375
  H     11.23610363     10.39746042    -12.31097595
          69
 Energy    -248.70976634732460     
  O     -7.84826636     -3.85134034      4.97175694
  H     -8.00903751     -3.84999317      4.01694336
  H     -7.25302493     -0.43796948     -1.68397201
  O     -9.82657558     -1.42323569      2.77286589
  H     -7.82451654     -4.76856512      5.23920409
  H     -4.80620875      1.46496208      1.99084786
  O     -8.51206424     -3.71829586      2.22965711
  H     -8.99219517     -1.05382177      3.10802307
  H     -3.55207050      1.99941639      2.72629253
  O     -5.96943629      1.85018018      0.65324033
  H    -10.50554331     -1.10413664      3.37963492
  H     -6.68727668     -0.65246714      3.65518478
  O     -5.25409654      0.00189059      7.06432969
  H     -9.00514520     -4.33688269      1.69623605
  H     -7.66745454     -0.10230290      4.74540332
  O     -6.27708930      5.71167756      3.27494793
  H     -9.08546877     -2.94265221      2.36434215
  H     -5.15666132     -2.06190554      4.85916183
  O     -9.43605268      0.27479784      0.53410830
  H     -6.74653127      1.98283965      1.21995947
  H     -6.26671229     -2.85338669      5.57093820
  O     -9.55089954     -2.04370134      6.44320234
  H     -6.19748588      1.12564533      0.06146198
  H     -3.07019687      4.03128577      3.49709798
  O     -4.99426252     -1.29379231      3.25924842
  H     -5.28091306     -0.87277956      6.63517413
  H     -1.73244313      3.90844099      2.72640985
  O     -4.98563970      4.44308430      1.23163212
  H     -4.69090262     -0.08222485      7.82866423
  H     -9.22184894      1.38612965      6.00878238
  O    -11.31388712     -0.32533356      4.84236259
  H     -6.47854859      6.60940226      3.02467617
  H     -9.34803927      2.63222796      5.13210165
  O     -7.12327556     -0.36505550     -0.74193482
  H     -5.87318598      5.28852771      2.49642645
  H     -6.97315906     -2.86199666      1.37000699
  O     -4.23007251      1.31372455      2.75434217
  H     -9.73538737     -0.37353116      1.18327205
  H     -6.51432892     -1.73329331      0.40976630
  O     -7.56887255     -0.28975871      3.80326943
  H     -9.14482908      1.03296498      1.06045571
  H     -7.10944960      0.11847959      6.93270602
  O     -5.46904005     -2.34019784      5.73463549
  H    -10.20924963     -1.61194036      5.88523308
  H     -8.46964013     -0.63823612      6.70471781
  O     -2.64757275      3.64330247      2.70948660
  H     -9.07236335     -2.67220087      5.88892356
  H     -4.53294977      3.78171349      5.10449037
  O     -9.85805097      1.89450240      5.48191178
  H     -5.29510365     -1.70207831      2.43319489
  H     -4.81837050      5.11799422      4.39838399
  O     -6.20311118     -2.36828063      1.06722788
  H     -4.57071725     -0.45117024      3.05107351
  H     -5.33898275      1.46126931      5.84124903
  O     -7.99699474      0.19712891      6.56812591
  H     -5.32975774      3.61943213      0.86305307
  H     -5.07891425      1.80496978      4.34788081
  O     -4.10977626      4.59370864      4.79180994
  H     -4.11559256      4.22702102      1.58956897
  H     -8.11092113      2.68992607      2.97033114
  O     -5.44539578      2.14898065      5.17436624
  H    -12.22281994     -0.18272139      5.09282596
  H     -7.93604911      1.17215264      2.82177720
  O     -8.12560238      1.97903278      2.31898865
  H    -10.84700851      0.51165285      5.01714501
  H     -7.03126706      3.09860492      4.81766999
  O     -7.76554889      3.64007180      4.49247586
  H     -7.99194543     -0.15563642     -0.35428726
  H     -7.36661789      4.44283574      4.13413201
          69
 Ord_Energy   -248.709656    
 O   -3.52123642       5.59281397       3.45317936    
 H   -3.72886324       6.18643093       2.72231102    
 H   -2.55823445       5.53508759       3.53598833    
 O   -3.03273988       1.02608407       3.36613989    
 H   -3.48901510       1.22739434       4.19212770    
 H   -3.17349005       1.80142558       2.79914069    
 O   -6.63677788       1.65852308       3.83059931    
 H   -6.97844124       2.55962086       3.89025450    
 H   -5.93316507       1.59420609       4.48661804    
 O   -2.46581268       4.89723301       6.63709566E-02
 H   -2.81225514       4.22832012      0.678867400    
 H   -1.52549481       4.96828079      0.267989337    
 O   -2.22812343      0.713345170     -0.647483230    
 H   -2.86684155      0.305136204      -3.64334509E-02
 H   -1.96580720       3.16374898E-02  -1.26144373    
 O   -7.45998526       4.39104557       3.99160767    
 H   -8.34608746       4.70975351       4.14101982    
 H   -7.16849709       4.76352406       3.14004779    
 O  -0.790952265       5.25610828       3.69339395    
 H  -0.636502385       4.42263508       4.16982603    
 H  -0.411036849       5.15589619       2.81431079    
 O   -5.91599655       2.98200512      0.278962106    
 H   -6.23365927       2.10172439      0.512856245    
 H   -5.28825331       2.90422583     -0.455233902    
 O   -2.95762491       4.88887644       7.34335041    
 H   -3.77534747       4.93394423       6.83196068    
 H   -2.35577989       5.54790592       6.97033358    
 O   0.157599509       4.72158670       1.05546522    
 H    1.02311397       4.91196299      0.704219580    
 H    4.38309908E-02   3.75345278       1.00979996    
 O  -0.262944371       2.06641603      0.926603913    
 H  -0.917451978       1.63025093      0.367674083    
 H  -0.200176314       1.54381382       1.73538125    
 O   -2.12170935       2.33651280       7.23925543    
 H   -2.39468956       3.26752234       7.34717226    
 H   -1.85804033       2.02785420       8.10158920    
 O   -4.19293404       6.82697010       1.01046133    
 H   -3.58237433       6.21475506      0.566083968    
 H   -4.11455345       7.66687918      0.565658033    
 O   -4.38920403       1.93633032       5.60719967    
 H   -3.66182470       1.90404642       6.24105883    
 H   -4.63889837       2.87109089       5.55580378    
 O   -6.68111277      0.509643734       1.37963271    
 H   -6.67444658      0.878807127       2.28190279    
 H   -7.47842646      -6.99506979E-03   1.30064321    
 O   -3.81514502       2.92277503      -1.50246394    
 H   -3.30784917       3.69270706      -1.21741915    
 H   -3.26471329       2.15856338      -1.28680432    
 O   -5.08091879       4.64609575       5.47843838    
 H   -4.51849365       5.05248165       4.80046463    
 H   -5.97151661       4.63167334       5.10923386    
 O   -1.13063741       6.63013744       6.11174345    
 H  -0.329844415       7.05554390       6.40973616    
 H  -0.917522490       6.24247694       5.24965906    
 O  -0.394755334       2.92616010       5.02740812    
 H  -0.942234874       2.68757176       5.78506994    
 H  -0.269011915       2.12007856       4.51352453    
 O   -3.98172879     -0.339634150       1.13337827    
 H   -4.92816782     -0.153537765       1.13316989    
 H   -3.65967417      -1.85003001E-02   1.98710728    
 O   -6.59730339       5.30679321       1.59440017    
 H   -6.46945667       4.52245951       1.03976643    
 H   -5.87565279       5.90559387       1.37736785    
 O  -0.362394243      0.615818441       3.36171794    
 H   -1.33346879      0.692769051       3.39084196    
 H  -0.150943533     -0.295010090       3.54789090    
 O   -3.67545009       3.25487661       1.94930863    
 H   -3.74685693       4.01349449       2.54426861    
 H   -4.51261330       3.15439415       1.47690642    
          69
 Energy    -248.70964285537423     
  O     12.38080951     11.25375372    -15.71400139
  H     13.04476480     11.85504161    -15.35630245
  H     18.61590919      7.81571673    -14.40810958
  O     14.88944463      6.28721614    -13.63113589
  H     11.82569865     10.96604865    -14.97892418
  H     16.43316385     11.10726923    -16.95401416
  O     17.01766238      9.64073744    -11.73846722
  H     15.68321906      6.37948839    -13.08646417
  H     17.13589950     11.00400250    -15.58755569
  O     17.60929017      9.44637672    -14.50366799
  H     14.12612990      6.42726297    -13.05468573
  H     14.48093268      8.96229559    -15.49800131
  O     12.50749969      6.72118878    -16.81254121
  H     16.93123762      9.57296783    -10.77886602
  H     14.85385129      7.94728184    -14.36224369
  O     13.67263543      8.98768111     -9.11500846
  H     16.23850250     10.13208446    -12.03719218
  H     10.85941064      9.18373758    -13.98732160
  O     12.74477346      6.96810035    -12.03030455
  H     16.67364131      9.21170023    -14.62786034
  H      9.78158163     10.25020018    -13.67676101
  O     14.75007928     10.85285882    -12.81182425
  H     17.68534035      9.65388563    -13.56348779
  H     16.59630337      6.38760899    -10.45031400
  O     17.20587112      7.77549894    -16.93907542
  H     13.41702281      6.38873280    -16.70101236
  H     16.36913560      7.33315654     -9.26251234
  O     13.49905351      6.13430866     -9.46409974
  H     12.06430182      6.11710467    -17.40228283
  H     11.67190137      7.20126413    -15.16456703
  O     15.06110950      5.96491034    -16.37966480
  H     13.19129773      9.34611760     -9.87239514
  H     11.70110302      7.15201190    -13.61056276
  O     18.85245892      6.87868162    -14.36565078
  H     13.49656763      8.03884096     -9.11567497
  H     17.84199916      6.68704542    -12.83371801
  O     16.61349883     11.59591073    -16.14119872
  H     12.71294460      7.92373845    -11.88053109
  H     17.11043011      7.79312474    -12.02256071
  O     14.92505465      8.86708980    -14.64826293
  H     12.90684518      6.56622239    -11.16757566
  H     16.63567906      9.68811526     -8.21289332
  O     10.72382321     10.10326360    -13.69219817
  H     14.72568745     10.13143692    -13.46311023
  H     15.40232776      9.23877464     -9.03197617
  O     16.18991719      6.43777146     -9.57441073
  H     14.70648801     11.66788962    -13.32482456
  H     15.04800050      9.68042897    -17.97398812
  O     11.24699642      7.54136243    -14.36904885
  H     16.84614087      8.42044663    -17.56274431
  H     15.80475974     10.10157716    -19.25804634
  O     17.16733479      6.83669058    -12.15790164
  H     17.51553218      8.30858606    -16.20020593
  H     11.83571957      9.94648847    -12.19106311
  O     16.37647207      9.25788188     -9.02340329
  H     13.26031489      5.43506111     -8.86195335
  H     13.33463054     10.20479206    -11.92908227
  O     15.92653392      9.89698895    -18.33471201
  H     14.47263352      6.15531439     -9.49967928
  H     15.32513674     12.43955178    -15.30118146
  O     12.55617185      9.74531287    -11.58160410
  H     15.81083715      6.52765678    -16.61134836
  H     14.70363674     13.78022635    -14.84510834
  O     14.60194131     12.83434201    -14.78174957
  H     15.06155926      5.88909545    -15.41450875
  H     13.09088809      8.45629930    -17.10208671
  O     13.59335632      9.27962080    -17.11075570
  H     18.64767626      6.53150623    -15.23538938
  H     13.06945836      9.98085446    -16.69111399
          69
 Energy    -248.70949079207847     
  O     -2.19781718     -3.44540223     -4.83909493
  H     -2.73973421     -3.28474287     -5.62306278
  H     -3.00807593      2.84554723     -9.11518582
  O      0.96156952     -1.36485564     -5.22094938
  H     -2.41389640     -2.73061112     -4.22840562
  H     -1.92472954     -1.45141209     -6.90569027
  O     -3.03307616     -1.16616936     -3.27028358
  H      0.21541811     -1.12512055     -5.79044424
  H     -0.75900915     -0.96180961     -7.79978595
  O      1.34041033      0.92257781     -3.82617815
  H      0.92059947     -2.32697422     -5.15292746
  H     -1.38741390      1.27043556    -11.13186930
  O      2.21605896      2.45094774     -6.08318617
  H     -3.30068052     -1.21152668     -2.35560169
  H      0.04527304      1.71119174    -10.76977906
  O     -1.65746819      4.05388067     -9.69638722
  H     -2.43272885     -0.40357381     -3.34747491
  H     -0.83138863      2.51488847     -7.05881795
  O      1.20089298     -3.24749058     -8.21343955
  H      1.93053012      0.80436280     -3.08568059
  H     -0.58522326      3.47405291     -8.24259207
  O     -1.49216208      1.04231892     -3.67304587
  H      1.26495275      0.05785124     -4.26814773
  H     -2.75532643      1.78722485     -7.16749595
  O      0.37080596     -4.07571956     -5.49275168
  H      1.42023672      2.76997840     -6.52853133
  H     -1.84377060      0.68674710     -6.54446407
  O     -2.49112684     -0.09731003    -10.30842318
  H      1.92306809      2.00528559     -5.27964844
  H      0.75568449      1.74704918     -8.73134166
  O     -4.71767692     -1.67767537     -9.52565231
  H     -1.32799125      3.39320505    -10.33360277
  H      2.14272481      1.15239967     -9.05191140
  O     -3.44230738      2.04584648     -8.79663321
  H     -1.71179617      4.88506772    -10.15944175
  H     -5.04074408      1.13353670     -8.32229080
  O     -1.16443383     -0.85617600     -6.92834345
  H      0.85911335     -3.63261585     -7.40022934
  H     -5.48974533      0.27845269     -7.11776584
  O     -0.76303772      2.00267316    -11.21291424
  H      1.97403075     -2.72550340     -7.94691697
  H      4.52967973      1.56994823     -8.09775424
  O     -0.13589680      2.93779203     -7.57699266
  H     -0.52838966      1.08381777     -3.64754799
  H      3.23153387      1.65525777     -7.25706638
  O     -2.28629192      1.53355748     -6.35892151
  H     -1.75638302      1.42118415     -4.52013761
  H      0.47443367     -0.47392795     -9.46805451
  O      1.23113342      1.19290124     -9.36548030
  H     -0.55742155     -3.91205874     -5.24919357
  H      0.34301240     -2.00841759     -9.13895530
  O     -5.64366403      0.42467335     -8.05882191
  H      0.59430500     -4.93890089     -5.15504354
  H     -4.16361426     -0.51427659     -4.65506136
  O      3.67227531      1.17081820     -7.97852284
  H     -1.69068082     -0.58306391    -10.05664977
  H     -3.80233745      0.53321676     -5.71890878
  O     -0.13649186     -1.22372666     -9.44656881
  H     -3.23146727     -0.70432822    -10.19385975
  H      3.35722193     -0.63456010     -7.45626085
  O     -4.46051560     -0.13704787     -5.49345281
  H     -5.39154927     -2.12308648    -10.03253418
  H      2.44217381     -1.35345919     -6.44508428
  O      3.07676497     -1.50652399     -7.15667949
  H     -5.15543175     -0.94916752     -9.04947381
  H     -3.99136460     -1.61995677     -6.51158412
  O     -3.55222191     -2.32191859     -7.01332165
  H     -3.09032480      1.31069639     -9.32279543
  H     -3.89887852     -2.27399260     -7.91130587
          69
 Energy    -248.70887413094744     
  O      1.55891856      0.24534001      3.74889627
  H      0.88117145     -0.16314859      4.31875556
  H     -2.70644215      3.42279955      0.46495750
  O     -1.36165171     -1.52010838     -3.45542859
  H      2.38144710      0.19760358      4.22909065
  H     -2.19409605      1.95950963      5.20800714
  O     -0.38629092     -0.77005477      5.32755579
  H     -1.25893430     -2.40330902     -3.07790430
  H     -3.41554572      1.05018462      4.91194766
  O     -2.61684167     -0.23401707     -1.23595070
  H     -1.96101837     -1.04758027     -2.86349409
  H     -0.55403897      3.03770851      1.19801403
  O     -0.79013663     -3.91073328     -1.96119728
  H     -1.06892665     -0.11436189      5.51837223
  H     -0.67582011      2.31339262     -0.14599471
  O      1.41516850     -2.50288109     -1.19132017
  H     -0.88009520     -1.57895711      5.13151367
  H     -3.29727091      0.67542463      1.48922073
  O     -3.96042870      3.65612852      3.40844075
  H     -3.22748613      0.21118432     -0.64018378
  H     -4.10898245      1.78016919      0.75824859
  O     -4.89446163     -1.86168092      4.07888207
  H     -1.73009137      0.09073530     -1.01723777
  H     -1.20543042      1.10595128      2.39680284
  O      0.07382003      2.45275664      2.81935383
  H     -0.53827788     -4.78704188     -2.23994308
  H     -2.10217024      0.45443533      3.45729645
  O      1.06839725     -0.35882184     -3.07412991
  H      0.01887456     -3.47648926     -1.63668632
  H     -2.19533163     -3.37771161     -0.85155630
  O     -4.93882054      0.93748970      3.77924156
  H      1.47053829     -2.06495341     -0.33254777
  H     -2.76438097     -1.95334310     -0.68228558
  O     -3.66686751      3.55146314      0.57746503
  H      1.47871612     -1.80084633     -1.85075029
  H      0.34874438     -1.55223187      1.45744028
  O     -2.50785238      1.04644115      5.24086920
  H     -3.90982910      3.70234978      2.44504768
  H      1.40931330     -0.58801762      2.02627268
  O     -1.03128670      3.05757204      0.35729232
  H     -4.45796791      2.85787633      3.62047989
  H     -2.44231504      3.76948593      4.25304833
  O     -4.11058236      0.83989321      0.98120331
  H     -5.54806245     -2.46093897      4.43184418
  H     -1.52835858      4.43151458      5.31467818
  O     -1.88597420      0.43277368      2.51638639
  H     -4.90479690     -1.97661841      3.11155198
  H      0.41367123      0.46137746     -1.53761287
  O     -2.79866741     -2.84948790     -0.31462290
  H     -0.37963822      2.89810611      3.54722229
  H      0.37878319      0.15077323     -0.01681858
  O      1.11419072     -1.00874032      1.21147681
  H      0.67590980      1.79587148      3.19229115
  H     -1.80513060     -2.77752220      3.59077385
  O     -1.60233989      3.67555026      4.73841294
  H      0.21499402     -0.75161940     -3.33226316
  H     -3.04197735     -2.48026476      4.45582186
  O     -0.03960751      0.67639667     -0.71267464
  H      1.49235892     -0.06253635     -3.87448525
  H     -1.78626793     -2.50476545      1.16454356
  O     -2.12538219     -2.77268393      4.50349944
  H     -4.81308576      0.93663060      2.82249069
  H     -1.51760265     -1.30118912      2.12050504
  O     -1.24214988     -2.20528045      1.90347958
  H     -5.04075303      0.00427755      4.01540502
  H     -4.77476859     -0.98177435      1.10261233
  O     -4.86714042     -1.90625011      1.36254539
  H     -3.93692603      4.20731815     -0.05926803
  H     -4.26960386     -2.40405262      0.78997361
          69
 Ord_Energy   -248.708786    
 O   -5.76383448      -11.6438808       6.48063898    
 H   -5.18584108      -11.7912273       7.22548437    
 H   -6.06566477      -10.7250786       6.55607700    
 O   -12.2788162      -8.48023129       7.24468327    
 H   -12.2675133      -9.16901970       6.56476831    
 H   -11.8882504      -7.69486952       6.84114838    
 O   -10.4358234      -7.82965708       3.69298339    
 H   -11.0541868      -8.44848919       3.28756070    
 H   -9.59447861      -8.30203247       3.75520658    
 O   -12.1382532      -9.89740181       2.67374301    
 H   -12.7508230      -9.87102318       1.94429398    
 H   -11.5467949      -10.6573486       2.51635337    
 O   -12.2192154      -10.5577707       5.38421345    
 H   -12.3641481      -10.3171434       4.46245432    
 H   -11.3056412      -10.8819780       5.44268274    
 O   -13.0324135      -12.3251390       7.30371904    
 H   -12.2449675      -12.3779726       7.86438704    
 H   -12.8277922      -11.7161465       6.57669544    
 O   -7.63404226      -11.6846228       2.43161678    
 H   -7.53044510      -12.2206755       3.23777008    
 H   -6.95435047      -11.9651508       1.82476032    
 O   -13.8423777      -10.1402388       8.94759274    
 H   -13.8037300      -10.9342880       8.39868259    
 H   -13.4804153      -9.43099308       8.39971447    
 O   -8.24181652      -9.50352287       4.13072872    
 H   -7.91845083      -10.0761871       3.42553926    
 H   -8.82357788      -10.0637312       4.66815376    
 O   -8.78387737      -10.7354107       8.24278736    
 H   -8.06184769      -10.2803583       7.79185867    
 H   -9.32928848      -10.0437574       8.64742851    
 O   -10.4644146      -8.83194351       9.32872105    
 H   -11.1110020      -8.70508862       8.61727524    
 H   -10.9093027      -9.34770870       10.0107689    
 O   -10.4518785      -14.9662304       7.63915825    
 H   -11.2869291      -15.0072947       7.15545559    
 H   -10.5194426      -14.2029591       8.22595310    
 O   -10.7908735      -12.5075169       9.03283405    
 H   -11.1750078      -12.0260172       9.77613449    
 H   -9.99816990      -12.0147810       8.77865219    
 O   -11.9964724      -10.6863413       10.8626137    
 H   -12.7362938      -10.4778166       10.2634640    
 H   -12.3526535      -10.7051153       11.7465372    
 O   -10.8004475      -14.2274017       4.02914906    
 H   -10.0527334      -14.6676264       4.44691610    
 H   -11.5453968      -14.3748140       4.62381935    
 O   -12.8086004      -14.7372704       6.04105711    
 H   -13.0106831      -13.8905087       6.47367096    
 H   -13.6282759      -15.2220678       5.98997355    
 O   -10.8176203      -6.44496298       5.97759485    
 H   -10.6887856      -6.90622854       5.12907934    
 H   -10.9967346      -5.53196764       5.76906347    
 O   -9.64213276      -11.3324928       5.69444418    
 H   -9.38058186      -11.1404991       6.60505295    
 H   -9.05379391      -12.0238047       5.36818886    
 O   -7.02687168      -9.17918873       6.64163637    
 H   -7.47685575      -8.42571068       7.05243683    
 H   -7.32544041      -9.19582462       5.72163820    
 O   -8.64599419      -15.3587818       5.66489077    
 H   -8.39408875      -16.2782097       5.67227983    
 H   -9.22977352      -15.2236300       6.43256617    
 O   -10.4966011      -12.0042801       2.37273955    
 H   -10.6339083      -12.7939692       2.91655803    
 H   -9.54457283      -11.9025373       2.27038813    
 O   -7.51687956      -12.9822674       4.82634783    
 H   -7.77905273      -13.8544827       5.14676714    
 H   -6.86540842      -12.6017656       5.43415213    
 O   -8.67852497      -7.25863838       7.73232317    
 H   -9.32716656      -6.90935707       7.10860634    
 H   -9.19727993      -7.63902617       8.45158768    
          69
 Energy    -248.70874277416374     
  O     16.10664822     12.03722289    -11.15828044
  H     15.87779505     11.83053896    -12.07617067
  H     15.81430373      9.37106370     -8.48919359
  O     13.26661358     12.68370042    -13.32191648
  H     16.97467028     11.63675223    -11.02651770
  H     18.41579945      7.17117697    -14.10844008
  O     13.01233574      8.38481033     -9.38275471
  H     13.54441504     13.29388705    -12.62723007
  H     19.28512482      7.58619753    -12.90366679
  O     14.65392462      6.42243260     -8.11618623
  H     14.07814251     12.30255622    -13.68105550
  H     19.04116970      9.42690187     -9.87528129
  O     11.32952643     11.12584128    -12.19684814
  H     13.56465669      9.17236857     -9.28937324
  H     18.27321765      8.61273583     -8.82082456
  O     14.24084742     14.05278228    -11.00582419
  H     13.45906151      7.68626168     -8.89276084
  H     11.97906598     11.80391460    -10.45487830
  O     18.44276420     10.52250072    -14.16628540
  H     14.70028864      5.91526271     -8.94723555
  H     12.92721462     12.96040050    -10.09372144
  O     17.29025515      5.70778159    -14.51664596
  H     14.44173555      5.80216012     -7.42449624
  H     11.72433106      9.31231477    -12.04718135
  O     15.70364872     11.33795149    -13.83843876
  H     12.00650087     11.64686352    -12.66334329
  H     12.38159388      8.39191212    -10.97816210
  O     16.44865925      8.29912399    -11.23992410
  H     10.48461741     11.47047210    -12.47636738
  H     19.53820028      7.43480187    -10.44970417
  O     17.24889765      5.63208188    -11.71258273
  H     14.98117357     13.42324230    -10.97140798
  H     20.59668983      6.44365769    -10.97897578
  O     16.39292032      8.59615340     -8.45630490
  H     14.59472083     14.90524597    -10.76598759
  H     14.72969133      7.45555801    -14.11716785
  O     18.95722679      7.88935982    -13.75825287
  H     18.61194429      9.56624919    -14.08572685
  H     14.06360290      6.10948814    -13.84541546
  O     19.12398457      8.67252939     -9.27526784
  H     19.09290360     10.86168217    -14.77619141
  H     11.96811266      5.27778811    -12.53701013
  O     12.43622643     12.22010958     -9.71473063
  H     17.41159572      5.07215010    -15.21621582
  H     12.45747587      6.72150671    -12.30321534
  O     12.11462184      8.44050426    -11.91269517
  H     16.35692938      5.98810929    -14.54759944
  H     15.62747713      5.20854827    -10.92086951
  O     19.72965240      6.79728132    -11.15962126
  H     16.61482129     11.12935084    -14.07348973
  H     14.10205224      5.35876156    -11.16468615
  O     14.74129422      6.52731757    -14.38916774
  H     15.26050913     10.48826550    -13.67764544
  H     17.70439692      9.63721057    -11.35213131
  O     12.75631789      5.81137600    -12.46771574
  H     16.35252595      8.35752963    -10.28032767
  H     18.53087757     10.56449183    -12.26028302
  O     14.76274099      5.15640270    -10.49236666
  H     16.69668133      7.38965526    -11.44580732
  H     15.22058796      8.76210922    -12.40946948
  O     18.32025929     10.38796747    -11.33607294
  H     18.14264074      5.88043943    -11.44059585
  H     13.70149951      8.86972430    -12.71963958
  O     14.57981927      8.98944119    -13.10110789
  H     17.26818646      5.53223745    -12.67368092
  H     15.17232307     11.05884554     -9.84523807
  O     14.63737076     10.67466989     -9.13952449
  H     15.84649170      7.83821154     -8.20798029
  H     13.81858112     11.19275817     -9.14184617
          69
 Energy    -248.70866188114223     
  O      3.67705204     -3.58926928     -2.68370132
  H      4.31240682     -3.65507017     -1.94829775
  H     -0.99739520     -7.31294394     -1.43956540
  O     -0.63793692      0.46877939      0.23802066
  H      4.18811484     -3.60251173     -3.48864707
  H      3.44614780     -5.81276776      0.96774794
  O     -0.96665373     -4.22365184     -1.14769616
  H     -0.78221690     -0.18539291     -0.47110138
  H      1.94920018     -5.84540568      1.45836260
  O      2.22231940     -3.81702112      3.72462153
  H     -1.28556188      1.15700319      0.11419529
  H     -1.10116771     -4.15934177      0.66879494
  O      4.59896869     -1.83180005      1.44898520
  H     -0.09885636     -4.54939877     -1.42403271
  H     -1.06775827     -3.25967862      1.92654063
  O     -2.74011624     -6.51740276      1.21849124
  H     -1.61230800     -4.89834298     -1.39157872
  H      4.10036524     -3.98596229      3.62911524
  O      0.63454613     -5.93566206      2.71474951
  H      1.68682150     -4.61659297      3.64873750
  H      5.03362804     -3.14128970      2.74723615
  O     -0.77366877     -1.46368067     -1.63363337
  H      2.16318194     -3.39726867      2.85588169
  H     -0.44272442     -0.84033649      1.52443928
  O      1.97205821     -1.69399033     -1.50578375
  H      4.43379702     -0.95206473      1.80734655
  H      0.55353189     -2.01826268      1.65035035
  O      2.03864092     -2.91227185      0.95008822
  H      3.72091419     -2.19012433      1.25457457
  H      1.96822093     -1.91871231      4.25433225
  O      3.48084137      0.50808657      2.53416320
  H     -2.06014216     -7.17041651      1.42591138
  H      0.94290871     -1.08661549      3.48202434
  O     -0.11599869     -7.61958548     -1.18980691
  H     -2.38194741     -5.66633957      1.50546346
  H     -0.23879026     -8.04018661      0.52109186
  O      2.53266365     -5.62364275      0.72008871
  H     -0.01891176     -5.29446021      2.39400072
  H     -0.37995351     -9.15484123      1.58361893
  O     -1.21669604     -4.16558211      1.63089609
  H      0.30719010     -6.80402283      2.44771014
  H     -3.53138667     -6.59907859     -1.91400704
  O      4.99608702     -3.95531690      3.26751920
  H     -1.03663426     -2.38221297     -1.49810485
  H     -2.83357763     -6.47937397     -0.53571003
  O     -0.20122771     -1.59147241      2.08174811
  H      0.18659433     -1.50458376     -1.75669405
  H      5.87707458     -6.51884746      1.57074615
  O      1.75325528     -1.01271464      4.00537883
  H      2.28488927     -0.84813623     -1.14779880
  H      5.22323597     -5.22135649      2.11051589
  O     -0.41872579     -8.20979284      1.46298478
  H      2.66196110     -2.14327648     -2.00492303
  H      1.29274232      0.69510121      0.08717248
  O     -2.69254210     -6.42196380     -1.49808819
  H      2.21675597     -3.85300419      0.81349453
  H      2.66209027      0.64238280      0.80332074
  O      5.23525968     -5.84608205      1.36224674
  H      1.95109136     -2.50603626      0.07468685
  H      2.18505845     -4.79561099     -2.25221952
  O      2.24163773      0.59669489     -0.06325328
  H      3.79211942      1.24847077      3.04811101
  H      1.91248713     -5.52498661     -0.92341547
  O      1.53355313     -5.33995270     -1.79765832
  H      2.87842799      0.00289851      3.10815758
  H      5.25866093     -2.94647061      0.06934343
  O      5.33707353     -3.68893866     -0.54416654
  H      0.49867980     -6.96304992     -1.53836116
  H      5.40850846     -4.47729176      0.00621821
          69
 Energy    -248.70806629683833     
  O     17.53448880      9.69656303    -11.50105887
  H     17.03600946      9.38593836    -10.72968296
  H     13.95323698     10.87648050     -9.99417595
  O     14.35570499      5.26838431     -7.40878763
  H     17.47429171     10.66047586    -11.50094895
  H     11.32827376      9.01997856     -7.72974766
  O     17.25259530     12.37758237    -11.05334303
  H     14.59704148      4.41677194     -7.05467610
  H     12.15526642      7.93435340     -8.46088557
  O     12.28806615      6.31796333     -9.05336193
  H     15.02181094      5.49525815     -8.08137390
  H     18.66784383      5.14594626    -12.36717670
  O     16.40192100      7.82995719    -13.16165794
  H     17.89513935     12.42112423    -10.33219383
  H     18.67738293      4.82787885    -10.86037318
  O     19.65067730      8.04254425    -11.11147870
  H     16.38509975     12.47120799    -10.64271494
  H     15.90302511      5.78501611    -10.25574803
  O     20.02556041      9.66981230     -8.79346325
  H     12.90549433      5.84044327     -8.48496971
  H     16.00808173      7.05766549     -9.36669665
  O     18.84471631      6.10401311     -9.24684069
  H     12.50186156      6.06954162     -9.96092608
  H     18.02364361      7.06015188    -13.51779136
  O     13.01907276      5.64605690    -11.71493776
  H     16.83643323      8.53318513    -12.65604365
  H     19.21439089      6.68083991    -14.42241732
  O     14.77285741     12.45118802     -9.51259557
  H     15.45631143      8.03642465    -13.10914778
  H     17.42486594     12.09463454     -7.89373417
  O     13.78794091      8.33300208    -12.51069494
  H     18.95553689      8.71052110    -11.23277344
  H     16.57329479     11.06706080     -7.12230775
  O     13.66366891      9.97139902    -10.17485432
  H     19.67183934      7.55812003    -11.94326429
  H     16.25435530      9.06551113     -8.50917652
  O     12.19304776      8.83393309     -8.08628719
  H     19.73737983      9.06428799     -8.10112663
  H     15.18339528      9.18464877     -9.65343785
  O     18.34640871      4.51481085    -11.70903377
  H     20.09888026      9.13937605     -9.59623604
  H     19.40896589     11.31300193     -8.83356664
  O     16.06503447      6.08925914     -9.35412784
  H     17.87729420      6.05769124     -9.26974421
  H     19.77900288     12.79892893     -8.64011111
  O     18.90839698      6.65878774    -13.51887106
  H     19.11951682      6.77353954     -9.89119000
  H     13.61189722      8.32539350     -6.85274844
  O     16.54130126     11.94024531     -7.53582685
  H     12.52591762      5.09413508    -12.31789269
  H     14.32299458      6.99035612     -6.57399962
  O     16.03510276      8.79680841     -9.41054952
  H     13.95675917      5.42881049    -11.84593026
  H     15.94898453      6.20900196    -12.42361207
  O     19.04907140     12.21680385     -8.83502495
  H     14.37136466     13.30248766     -9.35825097
  H     16.57744720      4.87093906    -11.95482802
  O     14.33355783      7.92879191     -6.35031122
  H     15.35695194     12.27556170     -8.75203749
  H     19.58133743      7.26961221     -6.29989764
  O     15.74195659      5.35622375    -12.01385781
  H     13.68400279      8.95065086    -11.77493902
  H     18.99563904      7.03208975     -7.70850971
  O     19.02491770      7.66136897     -6.96914470
  H     13.36346976      7.51233076    -12.23775109
  H     15.88761752      8.78012146     -6.48047746
  O     16.67765568      9.27356776     -6.75282143
  H     13.08766029      9.68800104     -9.45174697
  H     17.44446304      8.69228603     -6.69563776
          69
 Energy    -248.70802421589968     
  O     20.51974574     11.37928373    -18.86022228
  H     21.17085600     10.91835582    -19.38168318
  H     18.73976279     15.61201377    -18.83845174
  O     17.65712138     17.26326964    -15.08453883
  H     20.91579733     12.23187625    -18.60157522
  H     15.19616141     10.94511832    -13.18031959
  O     22.21931291     14.11252521    -15.34365784
  H     17.91374729     16.36493173    -15.34467074
  H     14.61918230     12.13885494    -13.96915165
  O     15.30651821     13.84500946    -14.31896950
  H     16.89017132     17.15914066    -14.50443130
  H     20.89428721     17.17363007    -15.70373233
  O     16.54160294     11.40684975    -17.49022080
  H     21.93130970     15.03802313    -15.23367246
  H     20.81393887     16.72504620    -14.23125961
  O     16.88252564     10.47425909    -12.34952908
  H     23.10797192     14.05996974    -15.00264078
  H     18.49937212     12.98281140    -13.45821260
  O     15.03897825      9.62441331    -15.95648824
  H     15.41702847     13.96261129    -15.27155750
  H     17.43031388     12.19501785    -12.64818816
  O     21.48668426     13.75391301    -18.06883469
  H     16.17325526     13.62537106    -13.94728407
  H     18.23853979      9.71787969    -15.26664725
  O     15.75240061     16.47426964    -13.26472689
  H     16.25111896     12.30586331    -17.28217576
  H     16.76858912      9.25367162    -15.17382722
  O     19.84287218     12.80871202    -14.63359550
  H     15.94207121     10.79080500    -17.05264861
  H     18.88429785     17.21244470    -13.63988208
  O     17.95729298     12.33723873    -19.71664407
  H     17.20064173     10.01359848    -13.14726657
  H     19.05722448     16.43592438    -12.33660042
  O     19.56101840     15.75959424    -18.35065287
  H     16.99885298      9.87271576    -11.61935523
  H     19.60438287     19.08215631    -16.94772109
  O     14.51219395     11.19031328    -13.81515610
  H     14.76242730     10.18193759    -15.20669699
  H     18.80939167     17.96301040    -16.23716076
  O     21.33095242     16.62498961    -15.04616664
  H     14.32415574      9.01848891    -16.13025571
  H     17.72244787     14.53918930    -11.91185794
  O     17.68978374     13.07943469    -12.93685102
  H     21.81322167     13.87789252    -17.16982850
  H     17.63013338     15.17792015    -10.50779756
  O     17.59789205      9.29502739    -14.68092101
  H     20.90571704     14.50289367    -18.25876346
  H     19.65700246     10.93585544    -17.26542218
  O     19.54558188     16.95791058    -12.98242826
  H     16.33427719     16.22322836    -12.53662569
  H     18.19379993     11.10979025    -16.80699785
  O     19.54130387     18.13506576    -16.85523425
  H     15.39739660     15.64335619    -13.60558475
  H     18.93306360     15.01873419    -16.78931324
  O     17.71293695     15.38581160    -11.43501289
  H     19.66261663     12.10017818    -15.26924005
  H     18.95783932     14.12740141    -15.50772451
  O     19.08502159     10.90061545    -16.48900948
  H     20.72615090     13.15896482    -14.80447805
  H     16.75189979     15.18170072    -20.40785312
  O     18.43367675     14.76815644    -16.00085036
  H     17.39802479     11.89001860    -19.06627150
  H     17.46190557     14.00373222    -19.70007674
  O     17.15513687     14.92212115    -19.58357834
  H     18.85222364     12.01945978    -19.54954672
  H     16.87330235     14.30436723    -16.60805947
  O     16.02691068     14.09830614    -17.03952569
  H     19.55365516     16.65849922    -17.99540361
  H     16.11490187     14.46823329    -17.92395498
          69
 Energy    -248.70799783127049     
  O     18.15238715     12.22216332    -18.33992118
  H     17.99425761     11.54177324    -18.99008073
  H     19.44615340     14.90064910    -16.23088523
  O     18.12729922     18.01273490    -14.25344205
  H     17.77362421     11.89980104    -17.50298232
  H     13.98720335     12.66150491    -11.83200322
  O     20.68862460     11.67053033    -14.50886381
  H     17.47378633     17.36159532    -14.55205579
  H     15.49478362     12.61334502    -12.17700112
  O     16.00286927     15.54348476    -12.18004979
  H     17.95071905     18.15462035    -13.31278462
  H     20.63899942     16.30121087    -15.12354613
  O     14.61636524     15.01049586    -16.81257741
  H     20.78147141     11.93512787    -15.43506944
  H     19.75133687     17.17412927    -14.20842765
  O     17.06757396     11.97967429    -11.83826457
  H     20.69979526     12.48480663    -13.98846751
  H     17.55268825     14.82204058    -11.51009471
  O     14.77119402     12.63894053    -15.20249703
  H     16.08252591     15.75250398    -13.12221960
  H     18.79089116     15.11658044    -10.63015606
  O     20.75411029     12.63989585    -17.13771968
  H     15.41962339     14.77595602    -12.13697187
  H     16.26488829     11.84609576    -15.65126012
  O     17.48888506     17.91501712    -11.58048549
  H     13.87884599     15.30588657    -17.33898168
  H     17.53203387     11.04473669    -15.17405198
  O     20.17874031     14.08031012    -13.18441911
  H     15.36886730     14.89529593    -17.42190378
  H     18.28669980     18.75206309    -15.87806878
  O     16.79175659     14.74100833    -18.39357107
  H     17.59340266     11.43953737    -12.43989704
  H     18.15073365     19.95212341    -16.82546144
  O     20.16945847     15.38055178    -16.66450329
  H     17.64011515     12.67876842    -11.49855917
  H     21.38013991     17.07412674    -12.67697128
  O     14.65702561     13.07310714    -12.37173668
  H     14.65973144     12.85556816    -14.26898195
  H     22.62686979     17.02406784    -11.78187033
  O     20.58270179     16.67929561    -14.23600551
  H     14.62022057     13.44865327    -15.70495672
  H     20.37448827     16.87729742    -10.61103833
  O     18.35557292     14.42395068    -11.14215442
  H     20.77943771     13.60181304    -17.05728257
  H     19.84891749     16.98248304     -9.16079256
  O     17.15970067     11.56223372    -15.89797516
  H     19.94508940     12.45282609    -17.62832304
  H     19.32037983     10.78783514    -13.99864597
  O     18.32556555     19.01454295    -16.81170052
  H     16.84784782     17.19427880    -11.64061396
  H     18.67655269      9.45887347    -13.53344948
  O     21.68409403     17.16967529    -11.76016688
  H     18.18890047     17.59569911    -10.99929794
  H     18.85731914     13.94784895    -14.44097389
  O     19.60825902     16.69926478    -10.03923898
  H     20.41004757     14.97532573    -13.46271335
  H     17.89269405     13.19280349    -15.40860818
  O     18.48045972     10.37089981    -13.72981799
  H     19.60052145     14.16411608    -12.41361827
  H     18.51747274     17.66938616    -17.93424342
  O     18.22417050     14.06347909    -15.16169710
  H     17.41938392     15.47035771    -18.45912718
  H     18.99205751     17.24521380    -19.34254400
  O     18.67342286     16.90202658    -18.51110306
  H     17.30186710     13.92286528    -18.43190286
  H     17.02358434     15.30448974    -14.99433944
  O     16.36871170     16.01381980    -14.88693628
  H     19.76243747     15.90928151    -17.36047326
  H     15.66414215     15.82898559    -15.51698736
          69
 Energy    -248.70757340919829     
  O     -5.51036238     -2.22590174      6.86968592
  H     -6.39237550     -1.90813303      7.09630877
  H     -7.21415968     -1.01747405      4.20668912
  O     -6.00127425     -3.67492559      4.57863200
  H     -4.92609633     -1.45911634      6.86194113
  H     -3.43077925      0.03719554      5.75598748
  O     -5.76219621      0.50634029      0.30352596
  H     -5.74597006     -3.27104178      5.42463709
  H     -2.94883396      0.11501666      7.22452811
  O     -5.98057054      1.46911857      5.88400950
  H     -6.94327733     -3.50662145      4.49268489
  H     -4.11199013      4.73233284      1.16372315
  O     -7.70252629      4.73868856      0.47349905
  H     -5.60332022     -0.43590253      0.17265368
  H     -2.75283092      4.71227588      0.42073463
  O     -8.30765358     -1.56776743      7.18955588
  H     -6.62137023      0.57377895      0.74267402
  H    -10.75252263      3.05001374      4.90719539
  O     -3.07061572      0.01146154      4.06161878
  H     -5.19063700      1.11857978      6.31332009
  H     -9.51436882      2.75195512      4.03636449
  O     -5.82928051      3.15705752     -0.70071713
  H     -6.19715023      0.83688393      5.17929823
  H    -10.35469266      0.59421916      4.09524266
  O     -8.60828191     -2.23273965      4.48802120
  H     -8.14957712      5.26191686     -0.18631946
  H     -9.72689037      0.03518094      2.82636645
  O     -5.64198854     -2.32636472      0.34648965
  H     -7.08175448      4.15782473     -0.00252223
  H     -4.77415852     -2.21265206      2.02701047
  O     -4.06406378      1.84045661      2.12032442
  H     -8.75824455     -1.84092598      7.98447393
  H     -4.96554636     -2.73919192      3.48248446
  O     -6.57462058     -0.36197759      3.89822739
  H     -8.45141525     -0.60891980      7.09905198
  H     -8.29949854     -2.50357564      2.45839399
  O     -3.73094029      0.05105372      6.68359669
  H     -3.29069923      0.70982186      3.43333375
  H     -8.27767210     -1.33581643      1.46476666
  O     -3.51138853      4.17660172      0.63523897
  H     -3.41241520     -0.80448397      3.66869345
  H     -7.65037303      1.34559630      6.60573505
  O    -10.07883029      2.39459266      4.74046877
  H     -4.97614523      3.50171877     -0.40781378
  H     -9.11464684      1.56519158      6.17305139
  O    -10.26037194     -0.22078172      3.58737757
  H     -5.80217009      2.20756026     -0.52801795
  H     -5.53544667      4.83911395      2.84146964
  O     -4.53670499     -2.05279699      2.94651336
  H     -8.55222110     -2.15483075      5.45086625
  H     -6.22493567      5.40234902      1.58640234
  O     -8.10116939     -2.28176365      1.54250266
  H     -9.30364711     -1.61323315      4.21465208
  H     -5.21688563      2.72548860      3.22472663
  O     -8.56386637      1.09792924      6.81026536
  H     -6.52678109     -2.42777936      0.73967820
  H     -5.84281181      2.78495525      4.63863314
  O     -5.41381927      5.45579918      2.10580209
  H     -5.53933898     -3.03025365     -0.28867993
  H     -8.27337798      1.52163148      2.01171513
  O     -5.82213437      3.23392647      3.78365019
  H     -3.70972152      2.58559595      1.61864417
  H     -7.54044450      0.28063934      2.58021861
  O     -8.09954362      0.58620625      1.84442864
  H     -4.59025384      1.31556071      1.50206190
  H     -7.48624197      3.21979009      3.13958619
  O     -8.35686937      3.20926999      2.71147981
  H     -5.80460590     -0.85279862      3.58217226
  H     -8.28885208      3.78750933      1.94124707
          69
 Energy    -248.70750244759785     
  O      1.19736174     -0.66217590      5.37226818
  H      1.83619081     -0.64968664      6.08110044
  H     -1.93537134      4.51800542      0.68228857
  O      1.98127586     -1.11691477     -2.54455390
  H      0.81431775      0.23239075      5.33108567
  H     -2.41038457     -0.52016515      5.72742605
  O     -1.30871884     -1.87405465      6.10287550
  H      1.25275602     -0.56228471     -2.23085792
  H     -2.89325152      0.97155022      5.57813360
  O     -0.02045402      0.16524697     -1.05934041
  H      1.70952406     -2.02005446     -2.34032631
  H      0.71125697      1.76887094      1.86493558
  O      1.08777436     -3.58605387     -1.35865346
  H     -1.64722309     -2.53790313      5.49078602
  H     -0.52070059      2.75287399      1.89722263
  O      2.86921326     -2.81298607      0.55830278
  H     -0.43008141     -1.61533695      5.79885999
  H     -2.79667999      1.08574311     -0.52310541
  O     -3.72198823      2.79254005      3.11831541
  H      0.58445117      0.34585251     -0.32739647
  H     -1.42004799      1.37242389     -1.10809099
  O      0.12748395      1.82658643      5.16424046
  H     -0.47865347     -0.65720556     -0.83535669
  H     -1.15376868      0.78019897      2.67183509
  O      3.83423899     -0.40226421     -0.68274590
  H      1.71573823     -3.37908315     -0.64324512
  H     -2.22945953      0.10897875      3.58474341
  O     -5.28910834      0.55627973      1.99547901
  H      1.25879041     -4.48698376     -1.62029917
  H     -1.14036277     -2.47384199      0.57951242
  O     -4.69759496     -1.59598300      3.89727779
  H      2.52278672     -2.51016005      1.40786713
  H     -0.53752018     -2.80687743     -0.80149047
  O     -1.92234001      3.63471116      1.04092353
  H      3.34856520     -2.06120259      0.18899366
  H      0.72953924     -2.06154001      2.61932211
  O     -3.03507564      0.06831424      5.27685285
  H     -3.16753063      3.08990545      2.38647990
  H      1.56266992     -1.30258380      3.67563277
  O      0.03554922      2.16984005      2.42823376
  H     -4.26101695      2.06625694      2.78533204
  H     -2.92550132      3.48896224      6.11604064
  O     -2.26091513      1.79943763     -0.89136649
  H      0.21059863      2.05708833      4.22737856
  H     -2.97987198      2.85259322      4.70716197
  O     -1.77351811      0.04395534      2.73584208
  H     -0.72023212      2.19359465      5.43809055
  H      1.72833693     -0.17950447      1.65164060
  O     -1.22402188     -2.28494412     -0.36718001
  H      3.25095024     -0.62771624     -1.42975242
  H      2.58991751      0.38320093      0.49416951
  O      1.57975341     -1.62090541      2.76448550
  H      4.66874188     -0.13176921     -1.05522509
  H     -3.52894133     -2.91155576      4.04939102
  O     -2.54820361      2.79752608      5.57918563
  H     -4.68505936      0.16009441      1.34528496
  H     -3.21321530     -4.36060330      4.48145827
  O      1.80809801      0.56046453      1.03143366
  H     -6.11376300      0.71044449      1.53991228
  H     -1.22336049     -1.60911250      2.53670276
  O     -2.80551201     -3.54630298      4.19911640
  H     -4.23719797     -0.99789241      4.50759211
  H     -1.56656624     -3.05966167      2.93912425
  O     -0.97972113     -2.53649285      2.38014893
  H     -5.04929495     -1.01341944      3.21795775
  H     -2.79337616     -1.17818922      0.02591839
  O     -3.26999276     -0.46506552      0.46483913
  H     -2.06704812      3.02491801      0.29497223
  H     -2.74924994     -0.24644141      1.25568767
          69
 Energy    -248.70749859505503     
  O     11.32372727     10.30371691    -11.99667740
  H     11.79159019     10.79556227    -12.68248887
  H     15.02649484      5.96070331    -15.35586120
  O     13.79293563      6.96505244    -14.45614104
  H     10.73726844      9.69646799    -12.46320917
  H     17.36797296      5.84786237    -15.25551164
  O     17.70792564     11.55179977    -11.17662507
  H     13.58748985      6.80340944    -13.52579010
  H     18.81469511      5.30809242    -15.17441173
  O     17.95581372      8.15016141    -17.01635375
  H     13.12975158      7.58424293    -14.78859365
  H     15.69456371     11.31083220    -16.12068645
  O     12.03588583      8.96620315    -15.22528646
  H     17.79957807     10.68557638    -10.73790531
  H     15.00188123     12.50113303    -16.82292121
  O     15.41719037      8.11146707     -9.04524078
  H     18.10534517     12.19940085    -10.60134726
  H     15.10535503      8.18859209    -14.18035176
  O     13.30646409      6.70814447    -11.73774121
  H     17.18919985      7.81728939    -17.50147894
  H     16.16531864      9.26336137    -14.63262169
  O     15.16945672     10.83447754    -12.16184602
  H     18.17549942      7.47776245    -16.36141229
  H     17.08345277      8.02124161    -13.00234327
  O     15.52936756      7.26170792    -18.20034182
  H     11.20767200      8.76537829    -14.77346927
  H     18.15876812      6.97969118    -13.34801637
  O     15.87857194      6.08377230    -11.02712492
  H     12.40919779      9.74706609    -14.79053471
  H     10.54292238      5.16985702    -12.31058410
  O     17.13604711     10.39841214    -15.73354131
  H     14.67830070      8.54144580     -9.50648822
  H     11.60303250      6.24723885    -12.03291525
  O     15.76325081      5.63162574    -15.88867231
  H     15.14603084      8.00221053     -8.13703188
  H     18.49087953     10.84129034    -12.75500383
  O     18.27590793      6.07051930    -14.97855329
  H     14.16757960      6.32428028    -11.51750011
  H     18.73951484      9.40125118    -13.23230691
  O     14.82845391     11.70456636    -16.32753314
  H     13.31340856      7.61001298    -11.38988910
  H     17.05486919      8.73945699     -9.73013363
  O     15.77383926      8.81256545    -13.87344333
  H     15.41824360     10.10723100    -12.75568367
  H     17.95553115      8.44177595    -10.95450329
  O     17.85423205      7.55716233    -12.63626542
  H     15.98638856     11.21771605    -11.82429362
  H     13.10168386      9.06536507    -16.77116038
  O     10.68019178      6.11378564    -12.30334350
  H     15.32578012      7.06505911    -19.11077024
  H     14.17293231     10.10024995    -17.14196931
  O     18.76626606     10.31922148    -13.51931089
  H     14.90817727      7.95719178    -17.92071317
  H     12.62303644      9.61346830    -10.93004833
  O     17.83918667      9.04074111    -10.20545010
  H     16.59899423      6.42388854    -11.56849920
  H     14.13267060      9.84927624    -11.08609017
  O     13.84051574      9.22481760    -17.37213986
  H     15.82308344      6.66878778    -10.25998661
  H     13.64128950     11.53316390    -14.84500515
  O     13.48511996      9.28865442    -10.63331880
  H     17.76458814     10.51643015    -15.00655529
  H     13.82553919     11.22277292    -13.35185327
  O     13.15967230     11.26171883    -14.05326145
  H     17.47653897      9.68078564    -16.28950953
  H      8.89491795      8.38303835    -13.65335011
  O      9.84315434      8.38876781    -13.55187208
  H     15.66493799      6.06516733    -16.74584415
  H     10.08498520      7.55530946    -13.11234083
          69
 Energy    -248.70739026663503     
  O     16.83386338     11.50826937    -15.28239302
  H     15.95209511     11.89618129    -15.25502025
  H     18.12839572      8.77244425    -10.41483218
  O     15.73826204      6.91131141    -11.33773047
  H     17.14358881     11.49901324    -14.36584198
  H     11.53526721      6.53436476     -8.39989825
  O     11.82344841      8.23758545    -13.08494653
  H     16.06073927      6.58717005    -12.19073353
  H     12.97203518      7.05561154     -8.64237501
  O     13.97957521     11.00773694    -10.33461658
  H     14.80122824      6.67786903    -11.30639920
  H     14.58521601     12.36994471    -11.49080011
  O     19.27857576      9.28161960    -11.82555760
  H     12.40054271      8.81269725    -13.60477064
  H     15.94436940     12.52777606    -12.20244608
  O     13.06602482      5.74051777    -15.79550454
  H     11.27703754      7.74836489    -13.71699361
  H     14.77730170      9.99634990    -11.58260768
  O     16.27242615      6.02001852    -13.90145330
  H     13.14913840     10.50598225    -10.32719426
  H     15.44008193      8.62290772    -11.92630847
  O     13.69882067      9.76375571    -14.46591463
  H     14.50661709     10.73062827     -9.57532286
  H     17.23655210      9.99944468    -16.00700983
  O     15.72412643      9.97944854     -8.35728287
  H     20.23109411      9.24836657    -11.79931247
  H     17.95035896      9.24549315    -17.15495119
  O     14.02487388      4.36064193    -13.44870137
  H     19.00351594      8.74789169    -12.59324726
  H     18.20115949      8.30343659    -14.78817410
  O     14.57161508      7.43367006     -8.02700777
  H     13.75454146      6.40427984    -15.93233229
  H     17.84770236      7.08743803    -13.91829011
  O     17.44715525      8.47602086     -9.79922330
  H     13.37943833      5.17749596    -15.07802134
  H     11.81155305      8.56705329     -9.95493193
  O     12.12485774      6.85573190     -9.07692156
  H     15.85893500      6.62752584    -14.53389719
  H     11.68317493      9.05424478    -11.40825657
  O     15.03946670     12.86560151    -12.18557498
  H     15.65200865      5.28847021    -13.79744318
  H     12.64398960      6.90655417    -12.18591615
  O     15.25415997      9.50425930    -12.26685584
  H     13.71959346     10.70084258    -14.68954860
  H     12.65825821      6.29348215    -10.76148751
  O     17.46760999      9.11445413    -16.34340800
  H     14.29342283      9.66116507    -13.70402442
  H      9.99412376      6.68996744    -15.74238747
  O     18.43962254      7.84745369    -13.97145204
  H     16.18448423     10.50564040     -7.70865427
  H     11.45099421      6.35662444    -15.37569056
  O     11.80588377      9.36161950    -10.49934431
  H     16.40326229      9.51237907     -8.87835300
  H     14.53923538      8.44726744    -15.37875982
  O     13.04312927      6.21021197    -11.64241202
  H     13.61938684      4.94372883    -12.78510415
  H     15.87990221      8.16242612    -16.09449685
  O     10.62329408      6.73026295    -15.02759750
  H     13.79945787      3.46671707    -13.20405211
  H     14.43642317     12.70428043    -13.82833671
  O     15.08382149      7.73848341    -15.75082406
  H     15.34313470      6.91178475     -8.24520412
  H     13.74507344     13.29702417    -15.07744075
  O     14.19341360     12.52066108    -14.75374284
  H     14.87424003      8.35243529     -8.05157337
  H     18.15277264     10.77230953    -12.26136948
  O     17.37108694     11.25662945    -12.54666738
  H     16.90581623      7.84129996    -10.28977809
  H     16.64371744     10.61644924    -12.48415646
          69
 Energy    -248.70737555441764     
  O     14.46959444      9.91480882    -10.82594774
  H     14.29360070     10.38083181    -11.65612346
  H     13.13930046      8.88444533    -10.21951270
  O     13.95904410     10.54532450    -16.78156065
  H     15.34280698     10.19509460    -10.52746963
  H     18.38560515      6.90741755    -14.33363397
  O     17.04099157     10.43657689    -13.14974282
  H     14.85289439     10.24566814    -16.98957970
  H     18.54600655      6.33940682    -12.90938947
  O     12.75719310      5.03687631    -12.75136299
  H     13.56366270      9.88400749    -16.19926810
  H     13.78263105     13.57541788    -15.69526848
  O     16.95537328      8.07550144     -8.95327087
  H     16.08335588     10.55692904    -13.22698010
  H     14.12320865     12.08754850    -15.96441832
  O     17.09214119     12.15686777    -15.42489446
  H     17.23583223     10.41665797    -12.20623906
  H     13.82145307      8.17990194    -14.76322301
  O     15.30256350      7.38073032    -11.94076082
  H     13.28364976      4.90382612    -11.95096141
  H     12.47077938      8.41155835    -14.04805833
  O     14.27261750     10.92405419    -13.34808248
  H     13.29920385      4.73265002    -13.48856004
  H     17.22156028     10.30006928    -18.05011118
  O     16.97749723      3.86138575    -13.54305228
  H     17.38525135      7.46974507     -9.57382456
  H     16.96153114     10.90113860    -16.64766865
  O     14.54105444      4.49209611    -14.91756049
  H     16.10447274      7.68119543     -8.73168305
  H     10.61562868      7.33172873    -12.73326763
  O     16.97026232      3.80480496    -10.87266139
  H     16.21660731     12.56079989    -15.36993631
  H     11.96169021      6.57324961    -12.73624289
  O     12.56886637      8.12437607    -10.02617584
  H     17.23589996     11.70338299    -14.58383199
  H     13.65289140      7.29884151     -8.93665759
  O     18.58941058      6.10161111    -13.84397369
  H     14.90491592      6.62761064    -11.48293121
  H     14.02016275      6.76972603     -7.53068236
  O     14.31497302     12.84833477    -15.38537700
  H     14.98665254      8.18979681    -11.52335147
  H     15.31699927      4.55345369    -10.59427195
  O     13.08330494      8.80294165    -14.68301068
  H     14.22460778     11.69787811    -13.92097939
  H     14.45253330      5.52076015     -9.72239399
  O     16.78955022     10.12916649    -17.21695151
  H     13.82723053     10.20001656    -13.81157602
  H     17.65752319      5.56801663    -10.93817232
  O     11.56035618      7.46010318    -12.68748727
  H     16.16329558      3.97259273    -14.04477286
  H     17.00693445      6.86929200    -11.46384658
  O     14.34730846      6.84686539     -8.42332581
  H     17.55983131      4.60093583    -13.77633997
  H     16.06888099      7.51319820    -14.92188061
  O     14.49286915      5.05809594    -10.56918634
  H     14.34411490      4.25343586    -15.81995825
  H     15.23688592      7.15941254    -13.67047952
  O     17.82739956      6.50609782    -11.09599224
  H     14.79639570      5.43128667    -14.92354775
  H     17.16801712      9.60119150     -9.75905949
  O     15.23918401      7.10863779    -14.64024573
  H     16.97397129      3.74233480    -11.84710710
  H     17.64319338     11.07154109     -9.74545054
  O     17.17964459     10.42762523    -10.27453768
  H     17.41498305      3.02930086    -10.54338218
  H     17.42449542      8.95558284    -15.89648782
  O     17.59459338      8.47693002    -15.07611613
  H     12.17289795      7.87906244    -10.86912392
  H     17.49318373      9.11805721    -14.35725774
          69
 Ord_Energy   -248.706924    
 O   -8.63235474       1.60014272       4.95182085    
 H   -8.39383221       1.90016127       4.06423283    
 H   -8.34025478       2.29897594       5.54947853    
 O   -7.37586451     -0.331350088      -2.01487422    
 H   -7.46175337     -0.781807661      -2.85063982    
 H   -7.86684418     -0.858061612      -1.35870326    
 O   -7.25885630      -2.65836978       2.13968301    
 H   -7.67778635      -2.76062679       3.00372219    
 H   -6.31951046      -2.86250448       2.24292064    
 O   -10.7976828     -0.301640511       1.12886739    
 H   -11.7293062     -0.477322251       1.02100408    
 H   -10.6101885     -0.367337227       2.08173370    
 O   -7.68749905       2.42314029       2.42863131    
 H   -8.48921776       2.49566221       1.88604832    
 H   -7.31362200       1.53722239       2.28799725    
 O   -6.54545832       3.27309705E-02   2.00222564    
 H   -6.94930935     -0.844159782       1.99317122    
 H   -6.03543139      0.124430381       1.18602192    
 O   -7.23620510       3.53805971       6.50188255    
 H   -7.47259045       4.15919685       7.18521357    
 H   -6.69810438       2.84312963       6.92249107    
 O   -5.73070812       1.45961380       7.37587118    
 H   -6.19930506      0.649694026       7.14285803    
 H   -4.96933508       1.50250661       6.78067255    
 O   -8.14227104       2.39126992      -1.50789762    
 H   -7.91885900       1.48604691      -1.75876212    
 H   -7.33245993       2.77439284      -1.15209639    
 O   -7.18535614     -0.604777098       5.94383669    
 H   -7.68912363      0.153617680       5.61400938    
 H   -6.39942455     -0.687443793       5.38117886    
 O   -3.97104478       4.09752655       2.01927328    
 H   -4.54930258       4.03015041       2.79672742    
 H   -3.49392557       4.91997099       2.10307646    
 O   -4.43425608      -2.89886832       2.51305819    
 H   -4.00638390      -2.19193769       1.99282622    
 H   -3.84057784      -3.64420390       2.49931026    
 O   -5.76824522       3.57119370       4.06946373    
 H   -6.44769955       3.22429037       3.47236347    
 H   -6.21529198       3.74185038       4.90724659    
 O   -8.69560337      -1.73094404     -0.119539998    
 H   -8.25216866      -2.21133280      0.590001583    
 H   -9.43894768      -1.26429653      0.284296781    
 O   -5.07041883     -0.737921953       4.19532061    
 H   -5.52040720     -0.337166995       3.43533659    
 H   -4.71050644      -1.56533515       3.85809016    
 O   -8.51243401      -2.65374732       4.69244623    
 H   -8.80959320      -3.34663844       5.27724695    
 H   -8.04042816      -2.00538301       5.24177694    
 O   -2.70513177       1.52345610       2.56769013    
 H   -2.89322591       1.53946888       3.51328135    
 H   -3.01789641       2.37325692       2.23928571    
 O   -5.90221500       3.08255839      0.221084416    
 H   -6.57917070       2.95082116      0.896568239    
 H   -5.16854811       3.51518083      0.675294816    
 O   -3.32916236     -0.832879305       1.18579650    
 H   -3.86413884     -0.466503263      0.469989717    
 H   -3.01357245      -6.66169301E-02   1.68594921    
 O   -9.76707649       2.34357524      0.747800052    
 H   -10.1788931       1.47330761      0.800549746    
 H   -9.32715607       2.39209676     -0.114263490    
 O   -5.22367334      0.441474020     -0.420831978    
 H   -5.88688612      0.138799161      -1.05502021    
 H   -5.34630299       1.39434671     -0.310301751    
 O   -3.97026920       1.61072123       5.15776730    
 H   -4.55964994       2.26634955       4.76041412    
 H   -4.27499723      0.743665576       4.84775114    
 O   -10.1697721     -0.492781878       3.76002645    
 H   -9.70648289      -1.27913702       4.07018280    
 H   -9.80227089      0.251195937       4.25217867    
          69
 Energy    -248.70659260724244     
  O      1.64914401     -7.94200751     -4.61618218
  H      2.56089323     -7.75445697     -4.86787441
  H      1.50166632     -7.10386875     -1.79238271
  O      0.65138482     -5.34834773     -4.58655110
  H      1.67741777     -8.17578699     -3.68017321
  H      3.56146996     -7.97136426      4.14322499
  O      1.80537758     -8.70769890      3.76902687
  H      0.82935910     -6.27835774     -4.78249743
  H      4.57510798     -7.19847935      3.28458905
  O      1.06407536     -5.33877611     -1.87472018
  H      0.64923985     -5.29466260     -3.61803008
  H      0.89025514     -2.24110872     -4.78631135
  O      0.97569726     -5.27677918      1.73787745
  H      1.33759793     -9.39812217      4.23079628
  H      0.08302378     -3.55337136     -4.70729566
  O      3.77541610     -4.66601154     -2.07280300
  H      1.40963201     -7.86265941      4.05023631
  H      1.54464621     -6.96317105      1.21248980
  O      3.24633973     -4.37205792     -4.81908893
  H      0.64203225     -4.71569860     -1.27235348
  H      1.91546127     -8.28319286      1.92622711
  O      4.55997081     -7.35680032     -2.38336078
  H      2.00046420     -5.09511188     -1.90108935
  H      1.22521714     -3.06809676     -0.08421259
  O     -0.55607319     -1.54418648     -2.12459003
  H      1.84904595     -4.89757577      1.91621086
  H     -0.13528774     -2.70358448     -0.73397097
  O      4.32458975     -6.89059069     -5.14440746
  H      0.51700025     -4.63836460      1.17941437
  H      3.73978140     -7.15605029      1.24908593
  O      2.75128900     -1.63867312     -4.76834735
  H      4.17898903     -5.54187070     -2.02986660
  H      5.25993969     -7.02806481      0.90060610
  O      1.93471843     -7.96670953     -1.70890077
  H      3.68670257     -4.45340822     -3.01160033
  H      3.31512234     -3.14953709      0.74433978
  O      4.31888599     -7.37621990      4.20057938
  H      3.19594297     -3.41173674     -4.90652292
  H      3.42130268     -3.43358749     -0.77497390
  O      0.02260698     -2.59969730     -4.56467530
  H      2.33334108     -4.69860159     -4.80738550
  H      7.00642214     -8.34733585     -0.50772271
  O      1.99743705     -7.81073745      1.08843725
  H      4.59066339     -7.28726651     -3.34539270
  H      5.80992461     -7.60519861     -1.13201972
  O      0.29069050     -3.32356835     -0.12938673
  H      3.67369123     -7.66562923     -2.14330472
  H      2.64413083     -1.49931265     -1.41306703
  O      4.56150994     -6.70484161      1.48518126
  H     -1.28964682     -0.93958722     -2.19938440
  H      1.31673990     -1.07163516     -2.07464650
  O      3.05647254     -2.81540244     -0.12439997
  H     -0.43605627     -1.94881053     -3.00203721
  H      1.64758577     -5.69957502      4.72113743
  O      6.37370464     -7.65320853     -0.34276579
  H      4.83564038     -6.99925643     -5.94256667
  H      0.72377555     -5.84775898      3.50153509
  O      2.27608891     -1.02947948     -2.17219658
  H      4.03161487     -5.96426956     -5.12305054
  H      4.01720875     -5.04571149      1.91752618
  O      0.90384366     -6.21126897      4.37988456
  H      2.65852491     -1.39106586     -3.83049168
  H      3.54137491     -4.29221816      3.18627982
  O      3.54823516     -4.25291919      2.22222316
  H      3.05965251     -0.86239454     -5.22794460
  H      3.80476767     -5.80146022      4.78423034
  O      3.41550207     -4.92779026      4.97170729
  H      1.94104124     -8.14492074     -0.75927742
  H      3.81332165     -4.61632717      5.78007626
          69
 Energy    -248.70634096033166     
  O     -4.44092785     -0.68029256      2.48232013
  H     -4.40648554     -0.06191932      3.22313886
  H     -6.88775833      2.61854084      0.02125135
  O     -0.66944785      2.19488868      4.96907431
  H     -3.56644420     -1.09011212      2.41351063
  H      1.86941049      0.80803360      3.66253810
  O     -1.94526305     -1.80078037      1.97246754
  H     -1.30881710      2.76055198      4.51566584
  H      0.42336014      1.25492921      3.98431490
  O     -3.07689000      1.92967458     -2.71908122
  H     -1.18943937      1.59264176      5.51496071
  H     -5.94514157      3.34513609      2.95212498
  O     -2.18469622     -0.23386020     -1.15487743
  H     -1.45160467     -1.02974686      1.65464848
  H     -5.74299137      1.99979485      3.67129671
  O     -4.14670340      1.14425294      0.39820142
  H     -2.18851085     -2.31494517      1.19364734
  H     -3.41666945      4.06342277      3.34935653
  O     -7.95161598      1.48050091      1.15225706
  H     -2.65275720      1.14598705     -2.34735122
  H     -2.35167151      3.24811737      2.58707581
  O     -5.80551058      1.27288264     -2.69707975
  H     -4.00557204      1.69092682     -2.84682628
  H     -5.25436385      5.80919885      3.06569001
  O     -4.17836826      1.25957895      4.44197276
  H     -2.41257595     -1.16653763     -1.05326594
  H     -4.76236695      5.06765775      1.80144775
  O     -2.29520001      4.20349483     -1.46523798
  H     -1.46879799     -0.05230606     -0.53236375
  H     -6.07294466     -1.66526829     -0.09495608
  O     -1.98856975      2.75904690      0.90491685
  H     -3.62126197      0.66102475     -0.25274632
  H     -5.24328924     -1.75477519      1.20161605
  O     -6.10446885      2.91624021     -0.45257142
  H     -4.32782000      0.53737648      1.12723110
  H     -2.27806271     -0.23043327      7.05814199
  O      0.95520208      0.63009232      3.45864524
  H     -8.84076342      1.66889376      1.44185159
  H     -1.78511494     -0.48553254      5.61394545
  O     -6.34696958      2.47875434      3.09086852
  H     -7.36586847      1.77158057      1.87478990
  H     -0.08470532     -0.82495781      4.19335745
  O     -2.69448620      3.43539054      3.47340202
  H     -6.20420181      0.52604633     -2.23961347
  H     -1.22256289     -1.72626260      3.69124476
  O     -4.93359322      4.96663508      2.75513736
  H     -5.98869558      2.01875130     -2.10852819
  H     -7.51646636      0.18052450     -0.11798117
  O     -5.42485734     -2.20987371      0.36731325
  H     -3.64991105      1.99324512      4.09567961
  H     -8.15845527     -0.76508858     -1.15005485
  O     -2.28189455      0.13459761      6.17756896
  H     -3.64602656      0.84895154      5.13441886
  H     -3.87589253     -2.69313620     -0.22108658
  O     -0.79988482     -1.39823740      4.49604346
  H     -1.75663668      4.71297642     -2.06433310
  H     -2.92097533     -3.71346390     -0.89108705
  O     -7.31635086     -0.46569180     -0.81246529
  H     -2.59478351      3.41895886     -1.96027359
  H      0.10405206      0.47327658      1.80536377
  O     -2.94625596     -2.86357837     -0.46085542
  H     -1.93441635      3.34146588      0.13776627
  H     -0.95546894      1.28794033      1.03100447
  O     -0.51953685      0.42381726      1.06977028
  H     -2.80520173      2.24709609      0.79157245
  H     -5.18836642      4.44371069     -0.18398608
  O     -4.54447770      5.11729363      0.08276124
  H     -5.39444280      2.31208023     -0.17719553
  H     -3.76222719      4.94733955     -0.45313747
          69
 Energy    -248.70600784921379     
  O     14.72815127      9.38199531    -10.49717127
  H     14.58114283     10.07319152    -11.15725266
  H     17.83704406      4.82708679    -11.95475268
  O     13.02678971     10.90794730    -16.06526617
  H     15.60313465      9.50043826    -10.10718821
  H     12.36803608      7.34143001    -10.64436901
  O     16.85676025     10.62823583    -13.65758647
  H     13.11393800     11.71239576    -15.53883570
  H     13.37793049      8.29014966     -9.95870310
  O     13.12803988      4.77394129    -13.13220933
  H     12.78168529     10.21063367    -15.44384980
  H     18.60029342      7.77401071    -13.65841670
  O     17.06985613      6.65831772     -8.99900620
  H     17.33020364     10.02380554    -13.07164860
  H     18.14429742      7.83955764    -15.13240041
  O     16.20723667     12.66717417    -15.50272884
  H     15.95845216     10.71120747    -13.30833731
  H     14.65384653     13.08627303    -14.79763447
  O     15.51289458      7.24239630    -12.15825378
  H     13.64947666      4.62371163    -12.32865062
  H     13.53574919     14.05628950    -14.34146135
  O     14.22939398     10.92316740    -12.72476765
  H     13.75552300      4.66568475    -13.85352969
  H     12.27247311      8.35631770    -13.45790896
  O     17.95076342      8.58924722    -12.09917211
  H     16.19346335      6.35666549     -8.73322977
  H     13.47123029      8.39238168    -14.42761631
  O     17.90054670      4.74829019    -13.96355470
  H     17.39263903      6.03059952     -9.66078928
  H     15.15876291     10.90861080    -18.42767080
  O     15.33578083      4.65875768    -15.03787229
  H     16.03490806     12.12060850    -16.27948465
  H     14.48101004     10.76980046    -17.04437635
  O     17.65331087      4.76022880    -11.01287169
  H     16.62993494     12.08201376    -14.85923253
  H     10.72808816      6.67722617    -12.39365581
  O     12.78047478      7.54536757     -9.79750081
  H     15.12738600      7.95245678    -11.62747947
  H     12.15412684      6.16799113    -12.69379607
  O     18.62198875      7.29264187    -14.49701601
  H     15.21732111      7.34064991    -13.07180501
  H     13.95361147      5.52873884     -7.63272153
  O     13.76671480     13.13343771    -14.39750078
  H     13.68732783     10.24106511    -13.14925023
  H     13.74430873      6.43619558     -8.86907529
  O     12.78019761      8.94457238    -14.02896213
  H     14.00687489     11.76022140    -13.14938702
  H     15.12820136      5.64027681    -11.39285622
  O     15.34092582     10.77279277    -17.50176459
  H     17.98678171      8.89671730    -11.18626934
  H     14.62632920      4.97423203    -10.08787243
  O     11.64510133      6.94187754    -12.39392054
  H     17.18227401      7.99857734    -12.13649127
  H     15.56627406      7.90690738    -15.30881587
  O     14.36007058      5.80934982     -8.44777202
  H     18.18997644      5.65243931    -14.18212938
  H     14.99271309      6.47009369    -15.06717546
  O     14.86396520      4.78886257    -11.00451330
  H     18.64727379      4.17700176    -14.12785616
  H     17.28748831      8.33366399     -9.22393474
  O     14.85408090      7.40740042    -14.88663808
  H     15.37141174      4.04685214    -15.76939852
  H     17.81721400      9.69622390     -8.70963988
  O     17.36156695      9.28386914     -9.43764073
  H     16.20889232      4.63395482    -14.61356649
  H     16.41711073      9.53475672    -16.60210814
  O     16.84763657      9.01917107    -15.90922042
  H     16.71505743      4.52647045    -10.97005745
  H     16.88897337      9.60177041    -15.13476221
          69
 Energy    -248.70590520336506     
  O      1.70522601      1.62383536      3.12579979
  H      1.08954459      1.92029900      3.80653257
  H     -0.56829221     -4.30665616      1.87510886
  O      1.62057410      2.60251304      0.58327114
  H      1.99664153      0.73854044      3.37205976
  H     -5.20886771      1.36579149      3.42830563
  O     -1.25811505     -1.22974857      5.01238916
  H      1.66043998      2.25246661      1.49101503
  H     -4.17954315      0.33959794      2.90816209
  O      0.31014558     -3.89564227     -2.36824686
  H      2.23508440      3.33097116      0.54552224
  H     -2.18663784     -1.02828678     -0.66185158
  O     -1.44052564     -0.51894736     -4.08751208
  H     -1.71639534     -0.52596871      5.48916264
  H     -1.87388358     -2.43161207     -0.06331038
  O      1.12385532     -1.43630843     -3.16584323
  H     -1.10538320     -0.87657119      4.12451274
  H     -2.61616117     -2.59856974     -2.12018809
  O     -1.93160285      2.52910260      2.63614142
  H      0.79897127     -4.57086500     -2.83096650
  H     -1.49753452     -3.36182334     -2.84870456
  O     -2.89433757     -3.12565226      3.73924351
  H      0.67170028     -3.03863289     -2.65855991
  H     -1.25079200      0.76106974      2.43578603
  O     -1.34236169      0.41182857     -1.43032514
  H     -1.82341508     -1.36663377     -3.79800351
  H     -2.00180955     -0.57177597      2.19354778
  O      1.41028818      0.24141105     -0.92933553
  H     -1.85558377     -0.29506823     -4.91564680
  H      0.23850577     -2.75817455      0.62307106
  O     -3.76018828     -1.16611479      2.05965435
  H      0.35910955     -1.04529346     -3.60635053
  H     -0.08424251     -3.69965007     -0.58119335
  O     -0.65366451     -4.64870119      2.77995642
  H      1.37399511     -0.82104116     -2.46331695
  H      0.15644070     -2.36727080      4.89406157
  O     -4.27341912      1.18620313      3.37710411
  H     -1.79374376      2.71441223      1.69495304
  H      0.44376666     -3.56457890      3.96966849
  O     -2.59216260     -1.85121671     -0.35027984
  H     -2.82761957      2.19787310      2.77514656
  H      0.29776712     -0.89986335      1.64765399
  O     -2.30803498     -2.85951746     -2.99828370
  H     -2.42776163     -2.54001549      4.35199699
  H      1.74712621     -1.33487415      1.97145621
  O     -1.13184094     -0.19406037      2.37806259
  H     -2.22512308     -3.74136998      3.41914197
  H     -0.26479850      3.60597117      5.14096762
  O     -0.35428367     -3.46124945      0.31454118
  H     -1.45494161      0.24834034     -2.37517236
  H     -0.91391458      2.76732866      4.01329559
  O      0.87252832     -2.91223241      4.53478064
  H     -0.39309799      0.33956631     -1.25433974
  H     -1.81165733      1.65741118      5.57471827
  O      1.07894189     -1.34266141      1.27665197
  H      1.59314617      1.10573494     -0.54142060
  H     -3.17568228      1.14949479      5.05736741
  O     -0.35144741      2.71563179      4.80793896
  H      1.38472746     -0.37801587     -0.18438417
  H      3.50157895     -1.27608125      3.88892199
  O     -2.55090750      1.07419033      5.78834296
  H     -3.55825033     -1.43632897      1.15395251
  H      2.03498018     -1.75631627      3.98655398
  O      2.61834582     -1.08724986      3.58398747
  H     -3.58623390     -1.92470795      2.64020962
  H     -1.38301247      2.04423341     -0.50719874
  O     -1.19650941      2.80769101      0.05460098
  H     -0.61774244     -5.60031742      2.71751300
  H     -0.23813226      2.82642902      0.17322686
          69
 Energy    -248.70575385436308     
  O     19.40906185     11.42722097    -19.10286406
  H     18.86040870     12.14992089    -19.46065939
  H     20.45124999     15.22104665    -17.18197087
  O     22.32308165     12.17064677    -15.38929255
  H     19.48557000     10.77495072    -19.79402541
  H     14.55293548     12.99522726    -13.50371803
  O     16.30545637     15.51222459    -14.05362238
  H     22.93193846     11.43788165    -15.36119991
  H     14.75748026     14.41920928    -14.06017886
  O     16.05032466     13.14681718    -17.69635249
  H     22.12152630     12.33472236    -16.32997981
  H     22.77854162     13.90775839    -14.83160014
  O     15.60577746     11.54122207    -12.78049996
  H     16.73713777     16.30079537    -13.70511965
  H     22.53409145     14.96317218    -13.72427953
  O     13.73014948     12.30030480    -16.38128829
  H     16.81899691     14.75790957    -13.72748630
  H     17.03860937     12.68381806    -12.79744592
  O     21.64990858     12.71696260    -17.93094162
  H     15.18437241     12.88492319    -17.36252083
  H     18.39075709     12.96175056    -13.52676007
  O     22.59174000     17.03978462    -16.08921783
  H     16.69504225     12.53412681    -17.31387021
  H     16.46637437     10.63180228    -15.77946263
  O     17.96248550     17.59576051    -13.05788483
  H     15.64984353     11.08862602    -13.64242590
  H     14.95456729     10.95326670    -15.73320138
  O     19.60071368     12.52692887    -14.79733439
  H     15.31982918     10.89401796    -12.14193813
  H     22.11622230     15.91468429    -11.44332068
  O     17.77859812     13.40427055    -19.90784468
  H     12.80219528     12.25402853    -16.59351874
  H     20.71180067     15.47552528    -11.91363004
  O     21.04902008     15.46320207    -17.90698031
  H     13.80991761     12.84253115    -15.57586233
  H     20.88617371     16.78312821    -13.53233080
  O     14.15355893     13.66571453    -14.07211503
  H     20.91637909     12.26902642    -18.36931847
  H     21.11493907     17.37872118    -14.94067947
  O     22.95974764     14.82094436    -14.57867460
  H     21.52347809     13.66400824    -18.07524575
  H     18.56430073     16.13959297    -11.87188529
  O     17.72158628     13.34955895    -12.94556449
  H     22.80158907     16.22641032    -15.59274999
  H     18.56587832     14.59683303    -11.91907467
  O     15.65882263     10.48333651    -15.26932076
  H     23.41377261     17.50561141    -16.21621896
  H     18.46022279     11.23968749    -17.49951372
  O     21.61207607     15.68544271    -12.21992588
  H     18.80400071     17.59445782    -13.54217181
  H     18.52973660     11.69442857    -16.01684489
  O     20.44298319     17.24236074    -14.26041907
  H     17.76858888     18.50694255    -12.85071494
  H     19.68523754     15.79965157    -15.19475027
  O     19.02725645     15.36050531    -11.54400823
  H     19.54306270     13.43016674    -15.15156119
  H     18.52234091     15.27076576    -16.10446327
  O     17.93910462     11.33399254    -16.69230371
  H     20.52783273     12.27311913    -14.86663159
  H     19.44689775     15.92160876    -18.86204734
  O     19.39235990     15.05820918    -15.73620109
  H     18.07633626     14.31983029    -19.80848585
  H     17.97678179     16.07334618    -18.40625846
  O     18.53908050     15.98470083    -19.18524337
  H     17.02483223     13.31222189    -19.31108414
  H     16.56749310     15.67185167    -15.88200828
  O     16.92349448     15.60762200    -16.77830340
  H     21.66530382     16.09031015    -17.51374157
  H     16.57068781     14.78588505    -17.15131579
          69
 Ord_Energy   -248.705627    
 O   -7.17185259      0.433579087       4.02726126    
 H   -7.09688139       1.07187188       4.74604511    
 H   -6.31850481      0.470631242       3.57501888    
 O   -4.51880121       1.27351797       9.80241203    
 H   -3.97025275       1.95624578       9.39375782    
 H   -3.94306254      0.513519585       9.94549084    
 O   -3.21678400      -2.84621954       5.70409250    
 H   -3.85160255      -3.27630830       5.11422205    
 H   -3.56142211      -1.95424676       5.84806299    
 O  -0.674749374       4.44178009       7.52813387    
 H   -1.17601645       5.06955194       6.99153757    
 H  -0.117076412       3.95466709       6.90954638    
 O   -2.69166899     -0.966687083       9.90743256    
 H   -2.26384807      -1.31424105       10.6850471    
 H   -3.12660074      -1.71672583       9.46331215    
 O  -0.921585500       4.55307722       3.77643013    
 H   -1.37342334       5.15787363       4.37859631    
 H  -0.234818757       4.12290430       4.30192947    
 O   -2.45360374       5.89475346       5.79955053    
 H   -3.14374971       5.21148157       5.82939100    
 H   -2.90006638       6.73664522       5.84332132    
 O   0.756725192       2.96282482       5.50108051    
 H   0.322037339       2.10500598       5.37127686    
 H    1.69632709       2.80244565       5.45115805    
 O   -4.41195297      0.383147150       3.42019463    
 H   -4.39902782       7.80771971E-02   4.33860016    
 H   -3.83217144       1.15616786       3.39797688    
 O   -3.40803075      -1.97444630       2.37705874    
 H   -2.52979803      -1.96289563       2.77096367    
 H   -3.78920007      -1.10602438       2.57669187    
 O  -0.729216099      0.627624273       5.19381237    
 H   -1.09973955      0.518064499       6.08320522    
 H  -0.758308232     -0.237579465       4.76875925    
 O   -3.93293476      -2.89593005       8.49008465    
 H   -3.58071518      -3.11700583       7.62078619    
 H   -4.82025290      -2.54100442       8.32870865    
 O   -5.07576799      -3.62295008       3.76165223    
 H   -5.33855152      -4.39147997       3.26185942    
 H   -4.53612566      -3.07182884       3.16724491    
 O   -4.28518629     -0.249931470       6.17329645    
 H   -3.53149009       2.27868892E-02   6.71378994    
 H   -4.93430424     -0.695262969       6.73994064    
 O   -6.19445038       1.90600431       6.31537247    
 H   -5.52995014       1.21387613       6.19712257    
 H   -6.61492491       1.71224082       7.16267824    
 O   -7.08159828      -2.08962703       5.21740961    
 H   -7.21788406      -1.25662637       4.74223328    
 H   -6.49029589      -2.62416339       4.67725134    
 O   -2.57650065       2.36916327       3.95205903    
 H   -2.04813313       3.14054036       3.70201468    
 H   -1.96463120       1.73284268       4.34482098    
 O   -2.01050234      0.439514786       7.60559082    
 H   -2.09020686      -9.47529599E-02   8.40548706    
 H   -2.23923349       1.34958851       7.84878731    
 O   -7.01983213      0.949006498       8.83350945    
 H   -6.14548969       1.08325016       9.24405956    
 H   -7.67317486       1.19120669       9.48382092    
 O   -4.13025856       3.68990397       5.85137415    
 H   -3.63574433       3.20534468       5.17351437    
 H   -4.97639942       3.23853993       5.96652126    
 O   -2.85948801       2.95986533       8.24773312    
 H   -3.38503003       3.21234846       7.47690392    
 H   -2.04530978       3.48145342       8.19052505    
 O   -1.07103360      -1.99464583       4.17232656    
 H  -0.399260819      -2.66452837       4.06459761    
 H   -1.74963260      -2.37410355       4.75517988    
 O   -6.20167494      -1.51935363       7.70221567    
 H   -6.65842152     -0.772759736       8.10521889    
 H   -6.65339661      -1.76846957       6.87809849    
          69
 Energy    -248.70544817445600     
  O     12.35500694     10.55108960    -15.90614403
  H     13.02787108     10.16248260    -16.48256177
  H     20.75674473      8.15689334    -12.06362078
  O     16.23414433      6.94028730    -13.56729933
  H     12.73439036     11.35712454    -15.53862555
  H     16.24562466     12.89109526    -16.94096096
  O     16.38279235     10.56636807    -10.97039169
  H     16.70593827      7.26971048    -12.79116355
  H     16.71308472     12.21852350    -15.64394261
  O     17.74036295     10.80714482    -15.02239643
  H     15.38336423      6.61471248    -13.24460067
  H     15.01561812      9.28438615    -15.44001171
  O     14.48016596      6.38114186    -17.16783437
  H     15.63594077     10.78685251    -11.54258283
  H     15.67306467      8.50476077    -14.25435317
  O     13.54875590      8.45182515     -9.33771868
  H     16.06175416     10.62673018    -10.05880279
  H     11.56822511      9.34132544    -14.95754886
  O     13.82877002      6.31005638    -12.34271513
  H     18.13161564     11.02392983    -14.16186526
  H     10.23564448      8.64422750    -14.59422718
  O     14.24997056     10.95666633    -12.72079126
  H     16.93601464     10.29359578    -14.84390607
  H     12.24588508      7.12378943    -14.87950543
  O     17.13381153      6.88962135    -16.19144534
  H     14.15903346      5.73351912    -17.78979100
  H     13.15098680      6.15581493    -14.10159334
  O     15.39498694      6.33268942     -9.98723033
  H     13.90438053      6.32502689    -16.38366888
  H     17.93211031     11.01245867    -11.89075114
  O     19.25021702      8.32194671    -14.87202113
  H     13.08883008      8.58723275    -10.17577811
  H     19.21148415     10.25582540    -12.29529333
  O     19.84315881      8.38034711    -12.21961221
  H     14.11964432      7.68511482     -9.46775409
  H     18.22264186      8.02609495    -11.42094142
  O     16.03660031     12.80462359    -16.01286432
  H     13.40859267      7.17527951    -12.22062815
  H     16.94678492      8.85450508    -11.09558733
  O     15.42356530      9.38210457    -14.57107225
  H     14.27757943      6.11421410    -11.51144106
  H     14.55751190      9.78678458     -8.73377664
  O     11.17460528      8.62381805    -14.42905430
  H     13.95447256     11.72611623    -13.21878152
  H     14.85817791     10.91626078     -7.73201585
  O     12.87029746      6.39645099    -14.99306618
  H     14.65170803     10.36641683    -13.38054158
  H     17.24356241      8.56928980    -17.14669303
  O     18.69476278     11.04659241    -12.48578601
  H     16.33422201      6.60925569    -16.65317085
  H     17.51543176     10.04650909    -16.83537107
  O     17.28816847      7.95243174    -11.18845152
  H     16.90562321      6.80913453    -15.25252553
  H     12.00822333      8.75240269    -12.75641648
  O     15.19749221     10.48416310     -8.51067913
  H     16.12036500      6.87488553    -10.33987969
  H     13.15312016      9.60478326    -12.17168880
  O     17.15360876      9.46163308    -17.51036520
  H     15.78533419      5.72051441     -9.36853767
  H     13.29249509     13.74998089    -14.70988617
  O     12.62360421      8.81015589    -12.01472444
  H     18.86497090      9.19577633    -15.00940844
  H     14.47694801     12.87450456    -15.17568780
  O     13.61860255     12.85361547    -14.71899368
  H     18.71693559      7.71731536    -15.40066177
  H     14.34469755      8.24495675    -17.30642922
  O     14.42972110      9.20147830    -17.20239255
  H     19.68903820      8.27953745    -13.17599813
  H     15.33447250      9.42336223    -17.46831918
          69
 Energy    -248.70543221088175     
  O      3.87647003     -7.32440089     -4.96969276
  H      4.55833194     -6.64609009     -4.91724866
  H      2.77681737     -7.47504807     -2.09651149
  O      1.48960193     -5.96823790     -4.74143859
  H      3.83523957     -7.71504197     -4.08468508
  H      4.82383956     -6.87953409      3.99920718
  O      3.51779708     -8.27782700      4.25187855
  H      2.23560072     -6.53185381     -4.99350453
  H      5.25587028     -5.94999709      2.84615796
  O      1.45885803     -6.20413970     -1.95216562
  H      1.34338717     -6.12376868     -3.79742160
  H     -0.10816766     -3.30462326     -4.88330309
  O      0.88479049     -6.03047937      1.92409023
  H      3.51248926     -8.98414199      4.89172771
  H      0.01499473     -4.83979636     -4.91477452
  O      3.18719646     -4.00463777     -1.87708230
  H      2.79439432     -7.67001920      4.49139749
  H      3.15135494     -9.27326565      0.35687707
  O      3.07786509     -3.67739089     -4.63812105
  H      0.70957008     -5.96860810     -1.39368347
  H      2.82799701    -10.69020586     -0.15167347
  O      5.28731829     -5.83238473     -1.73477880
  H      2.05947665     -5.44601157     -1.90719247
  H      2.09795514     -7.37943600      1.59874277
  O     -1.96313196     -3.90771735     -2.43063042
  H      1.51403484     -5.29479915      1.96950977
  H      3.12838564     -8.17332377      2.44996315
  O      5.54381354     -4.96331197     -4.45514588
  H      0.25066468     -5.79762983      1.23555504
  H      0.15634871     -4.21210422     -0.19664505
  O      1.05674437     -1.75216037     -4.61951410
  H      3.97308787     -4.54644505     -1.72895238
  H     -1.08751535     -4.69259726     -0.97515351
  O      3.60108535     -7.96019054     -2.24447592
  H      3.16880942     -3.77749765     -2.81580045
  H      4.10524398     -6.61169886      1.08828998
  O      5.24605720     -6.03220528      3.80905262
  H      2.48638661     -2.91760219     -4.71347443
  H      5.04904597     -5.81245733      0.14409286
  O     -0.61540650     -4.11874239     -4.78403412
  H      2.52787762     -4.46685092     -4.75761950
  H      1.85530965     -3.06000415      0.75597441
  O      3.35101302     -9.91590490     -0.34331195
  H      5.58808029     -5.54261562     -2.60439904
  H      2.08362765     -3.18904145     -0.75552084
  O      2.87683757     -7.95040392      1.54364986
  H      4.78308336     -6.64806743     -1.88538840
  H      0.43312815     -1.96021061     -1.36703173
  O     -0.44168014     -4.96640479     -0.31207360
  H     -2.89935761     -3.85622775     -2.60474026
  H     -0.80971202     -2.36783302     -2.18169611
  O      4.66896602     -5.82696797      1.02996337
  H     -1.52802587     -4.05554516     -3.28917060
  H      2.09837166     -5.59216602      4.80109045
  O      1.43974187     -2.88302061     -0.09729298
  H      6.22018753     -4.60522471     -5.02541595
  H      1.15125741     -6.29874620      3.80388363
  O     -0.07864929     -1.73861209     -2.15624184
  H      4.74914715     -4.42337262     -4.59660721
  H      3.50992379     -4.51913280      1.64277839
  O      1.59699096     -6.40457167      4.65488419
  H      0.69199519     -1.67910123     -3.71907946
  H      3.00432269     -3.90712371      2.98102909
  O      2.80231082     -3.99171768      2.04138563
  H      0.89910614     -0.91463179     -5.04717933
  H      4.17740581     -4.82133391      4.49449127
  O      3.45916815     -4.21701481      4.75705693
  H      3.57706281     -8.73864601     -1.67240992
  H      3.80665184     -3.65200634      5.44143406
          69
 Energy    -248.70538347624245     
  O     11.05707035     11.05047078    -11.85210802
  H     11.95231535     11.28291251    -12.13125619
  H     17.01506991      6.32697703    -16.56726379
  O     13.47970729      7.53468780    -15.37620726
  H     10.58229369     10.78791361    -12.65060328
  H     16.42666914     11.85221235    -14.42890660
  O     18.29381238      9.01608287    -16.56045630
  H     13.24505406      7.05602845    -14.56874241
  H     16.08758354     13.36228417    -14.45528996
  O     12.47332823     10.09509595    -15.05149003
  H     13.02194740      8.38598598    -15.34529839
  H     16.23956574      9.24303210    -14.35894981
  O     15.45926990      5.96167603    -10.00814365
  H     17.59571085      9.17845643    -17.20882311
  H     14.97831991      8.31922454    -14.63691300
  O     12.93538938      6.27356831    -12.93505265
  H     18.29591539      8.06435953    -16.40686307
  H     10.18671251      9.05550771     -9.52931655
  O     15.21341951      9.38092504    -11.47426754
  H     12.89309854     10.46253411    -14.26094216
  H     10.86957468      9.70441901    -10.75833552
  O     16.02695867      9.42203313    -18.23314839
  H     11.52692343     10.04669829    -14.86855810
  H     16.55852631      7.07539427    -13.66963658
  O     15.16742241      4.56332112    -12.54924753
  H     15.35941417      5.35066526    -10.74761855
  H     17.52359517      6.11751153    -14.38437239
  O     17.57752987     10.55244331    -14.43809508
  H     14.64440031      6.48171108    -10.00382679
  H     11.13282883      6.95565704    -12.90910275
  O     15.47877863      6.83545813    -17.19738571
  H     13.58464947      5.56240424    -12.87856695
  H     10.41828363      7.83669087    -11.86122111
  O     17.90625466      6.16065981    -16.20722141
  H     13.03820248      6.77597359    -12.11312247
  H     18.43552196      8.98817402    -11.65326620
  O     15.69415721     12.49362233    -14.46139938
  H     15.27156974      9.08813179    -12.39962596
  H     19.70328078      9.85101291    -11.70926944
  O     15.66728458      8.55202802    -14.00423518
  H     15.99719657      8.99758199    -11.06838722
  H     16.86060999      7.04446448    -10.49929283
  O     10.76522622      8.87160434    -10.26415179
  H     15.48620619     10.02402018    -17.69143925
  H     17.51417351      7.10689229    -11.88015760
  O     17.09178142      6.27524418    -13.53638142
  H     15.97125029      9.73904174    -19.13065367
  H     13.73507870     10.73755199    -16.24922794
  O     10.35774533      7.51296810    -12.76913777
  H     15.88085499      5.10332159    -12.92876719
  H     14.95016982     11.64733144    -16.01179557
  O     18.85097796      9.72893408    -12.12084243
  H     15.37897250      3.65335520    -12.74209822
  H     12.42706461      8.08112998    -10.31500458
  O     17.45567650      7.58328667    -11.04049607
  H     18.06151759     10.30269487    -13.63793196
  H     13.88346989      8.35304685    -10.80556755
  O     14.55230579     11.05227847    -16.65751104
  H     17.96365618     10.08210816    -15.19243106
  H     14.22388637     10.74687951    -12.22848834
  O     13.26386626      7.65793804    -10.54026302
  H     14.70073198      6.95253105    -16.63604543
  H     14.34872820     11.83343297    -13.32320584
  O     13.70948672     11.31317678    -12.81997968
  H     15.60792144      7.68033334    -17.64752714
  H      8.98386669      9.79012656    -14.51666644
  O      9.86300110      9.79455782    -14.14893087
  H     18.32966446      5.54310557    -16.79741972
  H      9.99391588      8.93123711    -13.71590028
          69
 Energy    -248.70537420036095     
  O     18.23044719      9.90880740    -10.85861642
  H     17.65003973      9.85650981    -11.63985602
  H     12.72820865      9.52117746     -7.30783546
  O     16.20180658      3.40975183    -10.67199194
  H     19.04210987     10.32055944    -11.14291875
  H     18.32645973      6.67683532     -5.19165895
  O     13.23275455      5.71604035    -11.20319714
  H     16.16708485      4.17093456    -11.26635363
  H     17.34434061      5.92328650     -6.12167621
  O     15.41695108      7.37560863    -14.40526255
  H     15.28766562      3.22400832    -10.42736703
  H     14.23691909     10.11731208    -10.60002681
  O     13.48980566      3.29288207     -9.78268196
  H     13.15721586      4.82671137    -10.83846438
  H     14.57095422      8.62011677    -10.39027697
  O     16.44111081      9.56280484    -12.84273316
  H     14.16654022      5.82563118    -11.43602644
  H     15.84535539      6.25454789    -12.94586295
  O     19.09035524      5.96724881     -8.49261542
  H     15.31298394      7.20309956    -15.33696778
  H     16.58810494      6.30950071    -11.58278850
  O     14.19942451      5.13429014     -7.91719356
  H     14.52673028      7.55102146    -14.05108375
  H     13.37520253      8.43407483    -12.42142026
  O     17.64706328      7.18826970    -10.43889580
  H     13.73140097      3.88741201     -9.04923677
  H     12.90809321      6.98780648    -12.59006028
  O     15.23523473      7.43154968     -9.10922035
  H     12.94036964      2.60711350     -9.41341375
  H     13.38683780      9.09785503     -4.85419681
  O     15.94686138      8.69918207     -6.70823190
  H     16.27448340      8.87921417    -13.49993570
  H     14.33298076      8.73296471     -6.02194610
  O     12.49751192      9.82902162     -8.19302218
  H     15.68351855      9.52013332    -12.24027157
  H     12.31865999      6.85208490    -10.05289537
  O     17.83948354      6.75563834     -6.00796196
  H     18.81915769      5.04102047     -8.54556154
  H     10.91284897      7.47196990    -10.02386755
  O     14.32409092      9.27344633    -11.05928884
  H     18.76979438      6.29441383     -7.64372940
  H     15.91912447     11.00851532     -8.81386073
  O     15.92096968      5.82126949    -12.08814156
  H     14.56825539      5.87655614     -8.41730806
  H     17.26509702     10.40185500     -9.27371612
  O     13.06008963      7.80295570    -13.08527878
  H     13.44589466      5.48371808     -7.41995657
  H     15.66812205      4.63352008     -6.93714580
  O     13.40136395      8.74901414     -5.74157933
  H     17.94810724      8.09350076    -10.57729622
  H     17.03412696      3.96716286     -7.19792964
  O     11.71903443      7.39359691     -9.51726984
  H     18.23877225      6.76747277     -9.79744169
  H     11.82697099      6.78080955     -7.69989620
  O     16.73042721     10.59356028     -8.49430241
  H     15.41121772      7.90301608     -8.28471309
  H     12.46687788      7.20832943     -6.36093854
  O     16.52987057      4.45688035     -6.53571392
  H     16.09160730      7.30674960     -9.54266713
  H     13.80181968     12.39741734     -9.50414966
  O     12.08117745      6.45493272     -6.82623220
  H     16.32012416      9.41238309     -7.25065728
  H     13.54003711     10.98699852     -8.91731449
  O     14.18574085     11.53061797     -9.40628379
  H     16.65517060      8.09747220     -6.44642866
  H     17.39230753      3.35180181     -9.40731701
  O     18.02631602      3.33167949     -8.66866876
  H     12.26904606      9.04261516     -8.70359518
  H     18.51925972      2.52026106     -8.75608915
          69
 Energy    -248.70500860444292     
  O     19.37560289      8.98319350    -14.32811844
  H     19.04696766      8.13314284    -14.61083790
  H     18.68192523     13.36853852     -8.18018038
  O     23.11349696     12.03419058    -14.00396083
  H     18.80783713      9.65450274    -14.74159837
  H     17.31342146     17.88580872    -13.96276467
  O     18.34689539     15.80506247    -10.75551181
  H     24.01980698     12.30584077    -14.12738133
  H     16.39809995     18.47449827    -15.06156278
  O     15.30841498     12.13827762    -12.26651954
  H     22.57267602     12.84321608    -14.01980382
  H     21.01680368     16.73218436    -12.30473928
  O     21.18166479     13.68540095    -10.04073481
  H     18.42432675     15.18889186    -10.01858967
  H     20.03862059     15.84328308    -11.50156672
  O     17.55619298     11.23751591    -10.61140156
  H     17.87403788     15.29949598    -11.43642852
  H     18.96891248     10.39426081    -11.31667728
  O     21.44828719     10.52877637    -15.70457266
  H     14.38945497     12.05199543    -12.02665558
  H     19.60189423      9.62769449    -12.53908269
  O     19.61016796     14.65891732    -16.07386232
  H     15.34058258     12.16411889    -13.23948953
  H     20.55371979     11.57157943    -16.77401434
  O     18.08723593     18.09379285    -12.40404217
  H     21.62116916     12.92246328    -10.44473151
  H     20.11217084     11.91703412    -18.21730432
  O     21.38587778     14.13874903    -14.00227666
  H     21.32034139     14.43494547    -10.62886493
  H     19.82130250     16.53287497    -15.90895936
  O     15.61636662     12.42530701    -14.97104719
  H     16.77609350     11.48541601    -11.11896900
  H     18.81805886     17.63021668    -15.51049526
  O     18.65741892     13.47283888     -9.12817276
  H     17.83815972     12.02177464    -10.12250845
  H     17.05103461     14.72017357    -14.23432463
  O     17.01053774     17.76650010    -14.88102623
  H     20.91537408      9.92467313    -15.17634969
  H     16.86031319     15.92337918    -15.17846698
  O     20.91650495     15.85739213    -11.90872378
  H     22.07423828     10.95237971    -15.10266990
  H     20.52326211     18.01013280    -14.15193034
  O     19.79726637     10.18642134    -11.77798255
  H     19.72943887     13.85331543    -16.59089583
  H     21.39022690     19.05393883    -13.40636601
  O     19.94978994     12.12612380    -17.30127004
  H     18.68013689     14.69489669    -15.80583657
  H     21.44895813     10.90191937    -11.40378297
  O     19.76067777     17.45344825    -15.62458775
  H     18.09016532     17.41696318    -11.71521468
  H     22.59863951     11.56113008    -12.19762572
  O     16.97440415     14.96499422    -15.16965936
  H     19.01455521     18.28842049    -12.58860509
  H     19.51688106     11.77409198    -12.66947954
  O     20.82153975     18.30104853    -13.27132400
  H     20.82699286     14.41148410    -14.74300479
  H     20.05507005     13.00413548    -13.47000152
  O     22.22380743     11.47502813    -11.31481937
  H     21.26277218     14.76752969    -13.27659424
  H     18.57788807     11.47471397    -16.17566311
  O     19.26507876     12.49015993    -13.26622477
  H     16.37023209     11.86801787    -15.20869700
  H     18.46132096     11.69008106    -14.64989939
  O     18.09091661     11.18705963    -15.39391762
  H     15.89119988     13.32252355    -15.19746435
  H     17.96366210     13.54891372    -12.72900484
  O     17.21293356     14.13979908    -12.55786929
  H     19.58649565     13.49245677     -9.42532845
  H     16.46268217     13.57193967    -12.34495107
          69
 Energy    -248.70500660422670     
  O     14.77183841      9.69961821    -10.01312069
  H     15.35090683      8.95503659     -9.81065295
  H     13.45584845      6.40778069    -15.26011920
  O     15.16177027      5.33910173    -12.68405945
  H     15.34297697     10.47885334    -10.02227960
  H     18.59707601      5.70200348    -16.62529773
  O     16.19803460     12.33403747    -12.90237916
  H     15.84345177      5.09411833    -12.04706158
  H     17.46944079      6.48757354    -15.91770522
  O     18.06005243     11.24185699    -14.81180299
  H     15.34496352      4.84686476    -13.49983507
  H     16.55772128     10.79941273    -15.87402443
  O     11.07041158      8.30218207    -15.28355997
  H     15.34762490     12.11321658    -13.30393986
  H     15.88938031      9.44635840    -16.18178761
  O     16.75824261      7.65748311    -10.23391402
  H     16.87130365     12.06077670    -13.53567820
  H     15.18864373      8.47600536    -12.84154877
  O     12.84538826      6.81353444    -13.56752594
  H     18.30327355     10.47160898    -14.27059121
  H     15.73272684      7.01273209    -12.93100568
  O     13.95709957     11.29924623    -14.24602426
  H     18.87560430     11.66417182    -15.07021294
  H     18.06504749      5.44081944    -11.81712468
  O     13.27462681     10.13309068    -17.62235630
  H     11.50307524      7.72735335    -14.64141521
  H     17.98589810      4.32745870    -10.74529635
  O     15.67957155      4.24887212    -15.14818044
  H     11.32522434      7.97375804    -16.15503225
  H     17.62631649      8.70137982    -13.15813062
  O     16.13416158      7.70117696    -15.79114777
  H     16.49568731      7.87066037    -11.13901450
  H     18.68361594      9.40092174    -12.27299439
  O     13.85929444      6.20035758    -16.11590835
  H     17.03826003      6.73576663    -10.27636695
  H     19.00842344      7.18078865    -13.14400268
  O     18.07383282      5.73247222    -15.82781953
  H     13.01498300      7.66533689    -13.13604834
  H     18.71684424      5.97153833    -14.05259113
  O     15.74595507     10.40331952    -16.21400771
  H     13.42428309      6.17916445    -13.12754212
  H     18.07623504      9.05029830    -10.23918143
  O     15.97912491      7.94655084    -13.01810690
  H     14.55218856     10.97644284    -14.93803117
  H     17.98746428     10.57796264    -10.38872723
  O     17.50919917      5.06888512    -11.10842594
  H     13.07326697     11.32839083    -14.63375107
  H     12.63040796      8.52225899    -17.84355111
  O     18.51607639      9.08221383    -13.17439090
  H     14.16264972     10.31477337    -17.29135427
  H     11.80712744      7.52077914    -18.69107644
  O     18.92078746      6.22028412    -13.14267524
  H     12.66534545     10.55746733    -17.00472452
  H     16.61632702     12.69204634     -9.79936378
  O     18.56862590      9.82296126    -10.54664356
  H     15.01979204      4.75918795    -15.63776267
  H     16.45279788     12.07746539    -11.20972773
  O     12.21474290      7.64134842    -17.83791201
  H     16.53984879      4.58136126    -15.43003997
  H     10.67394209     11.44836350    -15.52488933
  O     16.59691582     11.86341608    -10.27059834
  H     16.10832982      7.82990327    -14.83261776
  H     11.29605332     10.04036379    -15.36411147
  O     11.50303378     10.97785135    -15.52822940
  H     15.34082594      7.19211921    -16.01465929
  H     13.68640184     10.00974763    -12.99533071
  O     13.63218500      9.21875988    -12.44352438
  H     13.29254972      6.58243295    -16.79731515
  H     13.89708189      9.44647439    -11.53894909
          69
 Energy    -248.70500373028773     
  O     13.23908465      9.63215962    -10.27329903
  H     13.85769581     10.26814080    -10.67467144
  H     13.77425283      6.11129689    -15.58738677
  O     15.62458433      4.73296030    -12.44840124
  H     12.71555211     10.12373197     -9.64595281
  H     17.91957635      6.64708700    -15.36382929
  O     14.78404162     11.38509698    -11.68093180
  H     14.68205236      4.65054403    -12.26267817
  H     19.20440463      6.01417896    -15.94237668
  O     17.39652588     11.09362353    -12.88860682
  H     15.79375950      4.46035747    -13.36373369
  H     16.60073111     10.74999340    -14.59401766
  O     11.42361769      8.03099674    -16.38573039
  H     15.70736358     11.33518874    -11.95163554
  H     16.27547423      9.50665085    -15.45338595
  O     16.66244336      6.96552211     -9.64168105
  H     14.28593967     11.45701955    -12.50696542
  H     15.59396777      6.59008452    -12.64822413
  O     12.50046564      6.41107008    -14.28156536
  H     18.11156838     11.70145536    -12.71690900
  H     14.72752679      7.88826582    -12.78576896
  O     13.60787747     11.05958188    -14.21625041
  H     17.62870554     10.25890909    -12.44498401
  H     14.85549214      6.83986170     -9.88161358
  O     14.29692442     10.08943719    -17.59550949
  H     11.61496762      7.40522222    -15.67680515
  H     13.64877587      7.77948951    -10.02694668
  O     16.25295163      4.22324934    -15.04652904
  H     12.00436115      7.78982597    -17.11874939
  H     18.03306477      3.79248167    -10.56982408
  O     16.47268602      7.71498731    -15.43636286
  H     17.13004170      6.16271219     -9.90311941
  H     17.04687417      4.62240766    -11.42482349
  O     14.44521836      6.00681051    -16.27752878
  H     17.09979856      7.67820560    -10.12099305
  H     12.33275371      4.42169829    -11.32611066
  O     18.57343973      5.94084472    -15.22991355
  H     12.51954218      5.77286648    -13.56036945
  H     13.21863982      5.67896141    -11.16634690
  O     16.07899434     10.44959076    -15.34895935
  H     12.63689879      7.26736231    -13.84502022
  H     16.97187238      8.31679905    -12.06057229
  O     15.61701554      7.52794093    -12.87729435
  H     14.45244416     10.87051676    -14.65142218
  H     18.48164836      8.03398618    -11.95479199
  O     13.90829116      6.85362431    -10.08384807
  H     12.92860483     11.07416758    -14.90158299
  H     19.13472070      6.26536435    -13.41093927
  O     17.85189419      4.67560562    -10.88051234
  H     14.98748007     10.31901804    -16.96302736
  H     18.93365048      5.83095279    -11.94403502
  O     12.91669558      5.00474910    -11.80394535
  H     13.47398600     10.44582844    -17.23651567
  H     13.43446400      7.54689292    -19.29890339
  O     17.80175724      8.67984072    -11.71215651
  H     17.10863313      4.65569018    -15.15605127
  H     13.83917155      8.48256177    -18.13411085
  O     19.31796059      6.52155441    -12.49940402
  H     15.62572827      4.72312132    -15.58712002
  H     11.02621296     11.17431214    -16.62745324
  O     13.46873410      7.60764675    -18.34815519
  H     15.79974485      7.17464843    -15.87129635
  H     11.59170115      9.77369915    -16.28962690
  O     11.80732139     10.72301649    -16.31941356
  H     16.23918842      7.69063380    -14.49381333
  H     12.94037008      8.94575911    -11.97837044
  O     13.04930973      8.69248688    -12.90296126
  H     14.10698282      6.43595557    -17.07309736
  H     13.21545232      9.50708975    -13.39673928
          69
 Ord_Energy   -248.705002    
 O   -5.31461573      -11.4250202       8.30797291    
 H   -4.74141645      -10.6758604       8.50921154    
 H   -5.39855814      -11.4434748       7.34570408    
 O   -8.60114765      -5.85290670       5.54143476    
 H   -7.63734674      -5.84239960       5.62784672    
 H   -8.94377899      -5.71136332       6.43393230    
 O   -5.79095936      -7.46723747       9.92950153    
 H   -6.55241871      -7.73906517       10.4637136    
 H   -5.92383480      -6.56247711       9.60719681    
 O   -3.86483550      -8.93528748       8.71075058    
 H   -3.01285601      -8.84105110       9.12863731    
 H   -4.49608946      -8.41420650       9.23811054    
 O   -11.0108938      -9.13367558       7.70103598    
 H   -10.7145758      -8.81469250       6.83919907    
 H   -10.8041220      -10.0752478       7.72466326    
 O   -7.86355877      -10.6872187       9.04828835    
 H   -6.98786783      -11.0798788       8.92109489    
 H   -7.84978390      -9.86367130       8.53789806    
 O   -5.37640667      -10.7912083       2.74258590    
 H   -4.77338743      -11.2226467       2.14313459    
 H   -5.05401945      -9.87966728       2.85934854    
 O   -5.60085630      -5.71632338       2.94067526    
 H   -5.33498859      -5.01153278       2.35626602    
 H   -6.55362701      -5.85888052       2.79447389    
 O   -4.50646925      -8.29576397       3.34719539    
 H   -4.47988319      -8.29367924       4.31131220    
 H   -4.84943485      -7.42964268       3.09414792    
 O   -6.35366774      -5.14414167       8.57278061    
 H   -7.31611967      -5.23455477       8.54896736    
 H   -6.06576729      -5.19902658       7.65394449    
 O   -5.79651546      -5.82528210       5.77287149    
 H   -5.62675047      -5.64350033       4.83934498    
 H   -5.45301580      -6.71340704       5.93612576    
 O   -4.94803524      -8.49649620       6.17514563    
 H   -4.45225382      -8.59093285       6.99966621    
 H   -5.24218369      -9.38501263       5.91963720    
 O   -5.85064077      -10.9973125       5.52441883    
 H   -5.61893845      -11.0976257       4.59320784    
 H   -6.81889153      -10.9812822       5.56850338    
 O   -8.22863770      -10.6827946       2.69665885    
 H   -8.41147995      -10.9176817       3.61631083    
 H   -7.27010250      -10.7264957       2.59864211    
 O   -9.78203678      -8.48789406       2.39013910    
 H   -10.4631691      -8.65707016       1.74469173    
 H   -9.20676041      -9.27350712       2.40454578    
 O   -8.26882458      -6.09724379       2.76954508    
 H   -8.75936031      -6.89185715       2.52899957    
 H   -8.53621006      -5.88461304       3.67462564    
 O   -9.01058674      -6.07438755       8.23582458    
 H   -9.65478802      -6.38975239       8.87865734    
 H   -8.49676514      -6.86029148       7.98820353    
 O   -10.6280060      -7.61950874       9.92749405    
 H   -10.8080359      -8.17655087       9.14852047    
 H   -11.4591150      -7.50387096       10.3800344    
 O   -8.09877586      -8.55731392       10.9520407    
 H   -8.96243954      -8.20173454       10.7091961    
 H   -8.04809856      -9.42321205       10.5273857    
 O   -7.36007786      -8.27869415       7.73305225    
 H   -6.70359659      -8.37704468       7.03750229    
 H   -6.85955095      -8.00341988       8.51688290    
 O   -8.59969521      -10.8510122       5.49368811    
 H   -9.09406662      -11.3172789       6.17728138    
 H   -8.95658302      -9.95126724       5.45808554    
 O   -9.97045803      -11.8031940       7.76460695    
 H   -10.2670012      -12.6311579       8.13191032    
 H   -9.23151779      -11.4936304       8.31916618    
 O   -9.81631851      -8.36491013       5.21958399    
 H   -9.97273636      -8.40636730       4.26787949    
 H   -9.36166573      -7.52720499       5.37833309    
          69
 Energy    -248.70495969251471     
  O     20.13938989     10.79793029    -10.29182167
  H     19.66007415     10.79501462     -9.45402969
  H     19.26926985     11.11597261    -11.89116787
  O     18.33595308      6.76439071     -9.37180018
  H     21.08825824     10.79482373    -10.10894488
  H     22.81127483      9.57893244     -9.44763106
  O     19.78873122      5.08578082    -12.52349742
  H     18.95290851      7.19148650     -9.99203223
  H     23.61761410     10.88507605     -9.65544762
  O     22.53108802      8.17899793     -8.52182071
  H     17.63980685      7.41733158     -9.22042426
  H     19.52367159      7.82292694    -12.82674729
  O     17.12476167      5.27074853    -11.44104065
  H     19.73245547      5.82946454    -13.14012156
  H     19.91843832      8.31568659    -14.22470828
  O     22.23997830      6.60426730    -11.82078858
  H     18.87322197      4.92645234    -12.25653054
  H     20.18751039      4.70017589    -10.68036834
  O     19.99298446      8.14546346     -7.41141547
  H     22.74842744      7.25985714     -8.70917813
  H     19.59190945      5.26428127     -9.38437508
  O     14.15689605      7.79754407     -9.57427350
  H     21.67870965      8.17005200     -8.06206393
  H     13.77135911      7.87834767    -12.83994982
  O     22.87989465      5.47052372     -9.32913869
  H     17.48051659      5.73110164    -10.66913518
  H     14.90913904      7.07569290    -13.49498520
  O     19.94704616      8.11581590    -11.07611681
  H     16.18455166      5.13139123    -11.26751832
  H     16.63734597      8.77532288    -12.50707183
  O     18.47671046     10.49559905     -8.01930056
  H     21.58782771      5.97986130    -12.15815128
  H     17.28891971     10.17573161    -12.29843123
  O     18.77904993     11.03788692    -12.72151967
  H     22.60971031      6.21181094    -11.01878820
  H     16.87954114      6.51422648    -12.75628906
  O     22.88570006     10.38044422     -9.99907407
  H     19.53609142      8.99368498     -7.46617620
  H     17.66442750      7.36678751    -13.77587858
  O     19.47082835      7.59446854    -13.76870747
  H     19.44131941      7.53456860     -7.91172718
  H     22.71641249      8.30828575    -12.45792573
  O     20.30578889      4.71109018     -9.72135239
  H     13.87272595      8.38473088    -10.28720278
  H     22.86165092      9.69066792    -11.78526290
  O     13.99482649      7.00525912    -13.18561780
  H     14.18755208      6.91343175     -9.95841095
  H     15.73462506      8.55773976     -9.21347670
  O     16.56402820      9.60202273    -12.01070397
  H     21.96596308      5.13509376     -9.36356276
  H     16.68996567      9.21659354    -10.23546248
  O     16.77849781      7.20745633    -13.42432945
  H     23.42304964      4.76086940     -8.99748887
  H     14.77037885      9.68298062    -11.92710282
  O     22.73712107      9.25772116    -12.63803567
  H     20.82863604      7.73473410    -11.17452948
  H     13.38408268     10.35939858    -12.02166557
  O     16.61565463      8.94764863     -9.30802742
  H     20.04069064      9.04691621    -10.84026987
  H     21.24031760     10.35258599    -15.21118783
  O     13.81394979      9.52581054    -11.84906930
  H     18.07188548     11.11960119     -7.42203167
  H     21.54790491      9.75036310    -13.82073219
  O     20.83144500      9.95008209    -14.44989858
  H     17.75369511      9.98475046     -8.42266145
  H     14.12967946      5.85582722    -11.86567636
  O     14.32916095      5.31793815    -11.07821035
  H     19.42102168     10.74167856    -13.37671944
  H     13.67378555      4.62579548    -11.04392213
          69
 Energy    -248.70449681782935     
  O     12.36148110     10.88080092    -15.18307405
  H     12.90903204     11.59519602    -14.83875098
  H     16.54680978      6.51792856    -15.18946688
  O     16.18949435      6.81136953    -13.40213612
  H     12.90100385     10.41326672    -15.83647719
  H     20.40431219      9.91679206    -12.90446306
  O     16.01690601      9.90842370    -10.28254977
  H     15.36696894      6.56427401    -12.95700336
  H     19.00336176      9.94689116    -13.56079308
  O     16.78493021     12.61693501    -13.95148036
  H     16.78000372      7.17047044    -12.72653855
  H     14.95415902      9.29669446    -15.15916915
  O     13.83650750      6.54717666    -16.88316769
  H     15.42370565      9.40839158     -9.70496337
  H     15.65155271      8.40277680    -14.07493517
  O     14.05269758      8.34939650     -9.09452391
  H     15.44997891     10.28647569    -10.97169717
  H     10.07579920      9.07055710    -14.01771297
  O     13.80103205      6.35365777    -12.07456207
  H     17.25717322     11.96936530    -14.48463220
  H     11.47266573      9.66323304    -14.30987157
  O     14.33132788     10.71971960    -12.29345932
  H     17.08476107     12.46069768    -13.04314176
  H     17.59701251      6.69122559    -10.24060950
  O     18.17196000      8.47450847    -17.22120864
  H     13.33862277      6.50794512    -16.04572941
  H     18.12240964      5.99812907     -8.97456547
  O     14.70711366      5.55711667     -9.53471372
  H     13.39429072      5.96383490    -17.49375946
  H     11.93769454      7.36288022    -14.36787465
  O     17.98143662     10.19752394    -14.98649340
  H     13.37409656      8.50606190     -9.76418765
  H     12.90172664      6.34410372    -13.72194433
  O     16.59141111      6.57290663    -16.15388926
  H     14.23527097      7.40328719     -9.12556075
  H     17.24023810     11.27431606    -10.88628763
  O     19.47597611      9.79392611    -12.72453330
  H     14.05456937      5.95208399    -11.23485676
  H     18.47917407     11.19718333    -11.78549539
  O     15.46187358      9.31310323    -14.33772378
  H     13.39011255      7.20391660    -11.85762190
  H     17.10715435      8.69129015    -10.99939733
  O     11.00650901      8.93547194    -13.86052339
  H     14.12998703     11.58085368    -12.67319202
  H     18.41592455      8.55882292    -11.82582005
  O     17.40476366      5.98519088     -9.60312131
  H     14.73932973     10.21195000    -13.01340071
  H     16.55835016     10.98051847    -18.50173205
  O     12.48805602      6.59304817    -14.55801532
  H     18.90362522      8.04489190    -17.65552630
  H     16.91446705      9.55919829    -18.03861945
  O     17.79916983     11.80323697    -11.46910497
  H     17.61714864      7.76652033    -16.84368192
  H     13.14568506      9.50998524    -11.72165234
  O     17.70985121      8.05097833    -11.40933761
  H     14.50705020      4.81679513     -8.96781734
  H     11.86958789      8.79748992    -12.18839682
  O     16.18562108     10.11379941    -18.35395945
  H     15.67476684      5.65458925     -9.53924601
  H     13.88094734     13.84135684    -13.93928685
  O     12.54823149      8.77873624    -11.50306464
  H     17.08722953      9.93758409    -14.71253789
  H     15.05002952     12.83971615    -14.05841101
  O     14.07922966     12.91183995    -14.01594319
  H     18.17248085      9.68045244    -15.77699045
  H     14.74477021      9.65117255    -17.38102950
  O     14.07217368      9.34281208    -16.75759983
  H     15.68203226      6.48944758    -16.46573430
  H     13.93603115      8.40048259    -16.91688319
          69
 Energy    -248.70410442621579     
  O     -3.11953201      4.68788798      4.89788216
  H     -2.59943844      4.64056829      4.08420288
  H     -4.83769351      4.52724063      4.58193045
  O      0.89553352      1.53885341      0.72450018
  H     -2.81036835      3.96279535      5.45364363
  H     -2.18132196      4.14537504      0.70191903
  O     -3.98145390      0.60971560      0.32532389
  H      0.45505427      1.88523113     -0.06026009
  H     -3.35387406      3.75102294     -0.23451701
  O     -2.35771917     -2.86341178     -1.36434376
  H      0.65754245      0.60313726      0.78111173
  H     -6.24075515      3.38115435      2.81162451
  O     -0.12148568     -1.05943194      0.85321193
  H     -4.42548797      1.39168165     -0.02397855
  H     -6.48745834      1.91523777      2.36054648
  O     -6.34550551      0.26315610      3.15165658
  H     -3.24255818      0.39419213     -0.25980334
  H     -0.85604323      3.72951306      2.71749497
  O     -2.42122550      2.24441299      6.32341301
  H     -1.49524291     -3.19551015     -1.08438971
  H     -2.31942198      3.25181090      2.57623803
  O     -1.77152044     -0.09191963     -1.16671065
  H     -2.24822761     -1.91152435     -1.48330975
  H     -5.76239623      3.34229065     -0.96719270
  O     -4.36413245     -1.48254943      2.05923130
  H      0.11121608     -1.93300252      0.51498981
  H     -5.60816030      3.04499888      0.54296517
  O     -1.62069170     -4.17860600      2.03440649
  H     -0.67173869     -1.20174615      1.63593797
  H     -2.67666308     -1.44398418      2.84122402
  O     -0.62307895      2.43851747     -1.53102055
  H     -5.96023378      0.56763189      3.98473518
  H     -1.49404091     -0.82233456      3.65845570
  O     -5.76827029      4.27359713      4.44891158
  H     -5.77089105     -0.44737165      2.84198838
  H      0.83513077      2.32414968      2.23665736
  O     -2.41337179      3.96568197     -0.21825630
  H     -2.08521810      2.05571239      7.19609204
  H      1.57089437      3.10582013      3.35191361
  O     -6.39507541      2.82493327      2.04036434
  H     -1.87560211      1.73952754      5.69853126
  H     -0.35090295      1.46520913      3.97333190
  O     -1.75081091      4.03746404      2.52799713
  H     -1.19965995     -0.42567505     -0.45878274
  H     -1.83892497      1.15144985      3.70281833
  O     -5.12804055      3.08073578     -0.30541280
  H     -1.38941679      0.74858780     -1.44847420
  H     -5.32667463      2.54632326      4.98743262
  O     -1.74357135     -1.55074896      3.07847604
  H     -4.37825220     -2.32479031      1.58817901
  H     -4.14267753      1.79140662      5.63722077
  O      0.72414785      2.74020545      3.11184406
  H     -4.30802395     -0.78979467      1.38269568
  H     -3.50941151     -3.48357179     -0.19188733
  O     -1.09218221      0.93082248      4.28546044
  H     -2.49550087     -4.20682192      1.62609787
  H     -4.66986985     -4.44356780      0.16436503
  O     -4.92764052      1.67110308      5.09067627
  H     -1.60592630     -3.36935709      2.56341129
  H     -0.48368221     -3.98006501      0.71999303
  O     -4.04343968     -3.83321149      0.54379544
  H     -0.28911438      2.92784334     -2.27775652
  H      0.70933904     -4.39412293     -0.17754398
  O      0.05571592     -3.71315769     -0.04700476
  H     -1.26944986      3.01438684     -1.08335266
  H     -3.48932709      1.33474321      1.92554527
  O     -3.20980272      1.71118712      2.76872551
  H     -6.29949810      4.94720701      4.86502968
  H     -3.95247733      1.67102432      3.38218989
          69
 Energy    -248.70398356203060     
  O     16.85616875     10.62376056    -17.54630424
  H     15.94478470     10.91067930    -17.41414887
  H     18.33171567      6.36264751    -12.68028263
  O     15.45454951      5.77163141    -13.81370211
  H     17.41421909     11.19841076    -17.00588922
  H     16.95336901      7.66473458    -15.78219688
  O     18.75583027     13.69343798    -13.27731424
  H     15.91307071      5.68197652    -14.66137184
  H     16.89090730      9.13856182    -16.30961198
  O     19.56978178      9.38472262    -14.97839292
  H     16.13820572      5.91689349    -13.14974778
  H     14.66948272     11.57588056    -15.83182837
  O     15.39332466      6.88217406    -18.47394742
  H     18.70544622     13.19668300    -14.10376815
  H     13.66483551     11.98912695    -16.93283089
  O     17.21109779     11.67622928    -10.51197541
  H     17.84721995     13.78863838    -12.96591894
  H     17.31435548      8.03131325    -11.44937811
  O     15.33407462      9.30042595    -13.48919984
  H     19.69387298      9.58636661    -14.03566406
  H     16.45075411      9.13604666    -12.07457239
  O     19.51187002      6.57513130    -13.94488177
  H     18.66840834      9.04303786    -15.09267659
  H     13.63537368      8.10123453    -15.98674630
  O     13.38275452      7.44195736    -14.21417388
  H     14.81262933      7.45126036    -17.93766406
  H     13.90330658      9.39645883    -16.78848724
  O     19.50525552      5.36884110    -16.52546181
  H     14.85100320      6.51283547    -19.16583391
  H     20.61821471     12.88880791    -10.79480100
  O     16.77428204      5.89265697    -16.25942189
  H     17.14191442     10.72621314    -10.67044955
  H     19.57536181     12.90624163    -11.93853405
  O     17.63907029      6.26062404    -12.00316250
  H     18.15082843     11.89299658    -10.57109740
  H     18.82529355      9.54006556    -11.98472568
  O     16.99984652      8.59304074    -15.52081774
  H     14.54390922      8.75838122    -13.59211058
  H     19.86549941     10.68117801    -11.91838222
  O     14.25920016     11.29201428    -16.66643001
  H     15.94909327      9.00908938    -14.18301635
  H     16.43468038     12.84564381    -11.53178432
  O     17.13748215      8.97942052    -11.41057456
  H     19.55712180      6.05896830    -14.75898470
  H     15.63291854     14.16376904    -11.65824014
  O     13.83848235      8.43811200    -16.86828381
  H     19.77133084      7.46913836    -14.18693270
  H     20.04419500      8.49945338    -16.65714000
  O     19.89187720     12.39893165    -11.16987443
  H     14.08518904      6.78430216    -14.05244209
  H     19.31686981      8.07836238    -17.96866563
  O     19.67230987      9.83689264    -12.34216221
  H     12.57671495      7.07683582    -13.86034939
  H     15.45880330     10.98621468    -13.94897288
  O     16.10026186     13.50632901    -12.16594492
  H     20.09088745      4.72283223    -16.90900288
  H     15.67946756     12.49372955    -13.61958572
  O     20.04345112      7.84921270    -17.36862313
  H     19.76573831      6.23829697    -16.88483444
  H     17.37728493     11.80661772    -15.01601323
  O     15.60296591     11.86033157    -14.34368331
  H     16.33277310      6.07827106    -17.09845170
  H     18.76436620     11.11950908    -15.25590287
  O     18.23805594     11.90652103    -15.44888695
  H     17.68179581      5.61533347    -16.44028557
  H     17.51138053      9.28298358    -18.61532867
  O     17.80869909      8.41116873    -18.91162546
  H     17.94689674      5.58801787    -11.40052745
  H     17.02404860      7.85265211    -18.88295886
          69
 Ord_Energy   -248.703964    
 O   -2.53274107       2.14552045       6.54401445    
 H   -3.22055316       1.95671523       7.19433832    
 H   -1.82386816       1.49853265       6.69022560    
 O   -3.42266011      -1.94192672       4.69334412    
 H   -3.15379834      -1.02720022       4.54062986    
 H   -4.38739967      -1.93768167       4.65405130    
 O   -5.29687452      -1.02107465       7.53866100    
 H   -4.69954205      -1.77503347       7.62318373    
 H   -5.69781017      -1.10164201       6.66489458    
 O    1.81768572       1.09705627       8.04185295    
 H    1.31691360       1.51753676       8.75380325    
 H    2.09226227       1.80469024       7.44286060    
 O   -4.42473269       1.36802351       8.48633862    
 H   -5.18309832       1.83926988       8.82158279    
 H   -4.75198555      0.509601951       8.16444683    
 O   -1.48281610      -3.96614051       4.25671387    
 H  -0.641965270      -3.49169540       4.20836639    
 H   -2.17437935      -3.29105544       4.25076866    
 O    2.10072947       3.19706416       6.20411396    
 H    2.62295818       3.99333858       6.15158033    
 H    1.21230865       3.46539569       6.50033474    
 O   -5.52361250      0.772311807       3.33932018    
 H   -5.71337938       1.44760394       2.69392443    
 H   -4.57302618      0.840381980       3.53018570    
 O  -0.328599632       3.77753282       7.27893209    
 H   -1.15395486       3.40099406       6.94880819    
 H  -0.234031275       3.44994068       8.18280411    
 O  -0.294966519      -6.75259973E-04   3.88953781    
 H   0.500877500      0.548981309       3.81571841    
 H    6.23743003E-03 -0.909395278       4.02059793    
 O   -3.27166510      -2.98730350       7.28051996    
 H   -3.26489401      -2.60298991       6.39045620    
 H   -2.76261425      -3.80424476       7.22090912    
 O   0.529403865      -3.11922574       7.41097164    
 H   -4.55246605E-02  -2.54428911       7.93557596    
 H    1.35596003E-02  -3.91940689       7.25569105    
 O   -1.42455053      -5.09092665       6.72187757    
 H   -1.45623195      -4.78826857       5.79564238    
 H   -1.45855963      -6.04328394       6.70262766    
 O   -2.89710760      0.791635990       4.13393784    
 H   -2.85189891       1.34927762       4.92300987    
 H   -1.98576570      0.588211954       3.87797546    
 O    2.85809016      -1.45569813       7.45014715    
 H    2.53970718     -0.608043790       7.78932810    
 H    2.14640832      -2.09608340       7.57402802    
 O  -0.495731533      0.290777624       6.68247795    
 H   0.341884494      0.569889963       7.07344341    
 H  -0.362229139      0.168784454       5.73499489    
 O    2.08075309       1.29415131       4.06653166    
 H    2.14324021       1.95941055       4.76207733    
 H    2.63035059      0.545823097       4.33362818    
 O   -6.19604921      -1.39651906       4.83370781    
 H   -6.06087685     -0.600997627       4.28922892    
 H   -6.98052120      -1.82733941       4.50475597    
 O   -2.04286242      0.863173246       9.98252296    
 H   -1.81118059      -2.26769596E-02   9.67018127    
 H   -2.89030623       1.07089555       9.57212353    
 O   -1.37127721      -1.44864237       8.58978271    
 H   -1.11657548     -0.827988684       7.88742971    
 H   -2.10175371      -1.97621489       8.23915958    
 O    3.37446260      -1.14897537       4.81762838    
 H    4.24328899      -1.47005844       4.59165621    
 H    3.27630711      -1.25576055       5.78129053    
 O   0.833685517      -2.42105579       4.66970873    
 H    1.73355603      -2.08666277       4.57221556    
 H   0.716401577      -2.60350633       5.61290836    
 O   0.106038928       2.47927999       9.80051708    
 H  -0.680227578       1.91289210       9.90107346    
 H   0.277001262       2.86229300       10.6566744    
          69
 Energy    -248.70391577631921     
  O     12.60314717     11.90531078    -16.84072764
  H     13.27516885     11.68244125    -17.49698390
  H     19.37786027      9.48833009    -12.61021080
  O     17.66417853      7.19898560    -13.76153826
  H     13.08158820     12.12131067    -16.02926527
  H     15.04047765     10.76875617    -15.47707695
  O     18.96608896      9.56680529    -10.69504578
  H     17.09295311      6.51466830    -14.12443089
  H     15.34747313     10.35534157    -16.93401596
  O     17.71496370     11.33877714    -14.66562863
  H     17.86194389      6.95485773    -12.84125917
  H     15.09682919      7.83456876    -12.42575281
  O     15.51720684      5.50599077    -14.62402913
  H     18.09822209      9.99803586    -10.76060711
  H     16.27736450      8.35679000    -13.25322657
  O     14.62896285      9.12704213     -9.42565301
  H     19.46017657     10.04033085    -10.03071708
  H     11.46525288     10.58206647    -16.82817688
  O     14.51182084      6.10492251    -12.04421699
  H     17.11271530     10.84212349    -15.23137587
  H     10.05665692     10.03502061    -17.16279954
  O     13.14226429     10.08705653    -12.90591937
  H     18.36884464     10.70773967    -14.33042746
  H     18.51942581      7.73288876    -10.84957322
  O     13.05605349      8.48018880    -18.28962520
  H     15.51328819      4.73488843    -15.18506395
  H     17.39615636      6.73128180    -10.50773146
  O     15.71270993      6.49849488     -9.63698027
  H     15.08205670      6.21964980    -15.12298619
  H     11.75267786      7.27713568    -13.08496423
  O     14.29336049      7.60720640    -15.85754815
  H     15.25817875      9.73175273     -9.83834210
  H     11.86689780      7.61831431    -11.58074029
  O     19.35413341      9.42864205    -13.57178673
  H     15.05219875      8.25942856     -9.40409161
  H     16.92305869     12.30590716    -13.51877616
  O     15.52308581     10.12340024    -16.01270913
  H     14.82510391      5.75967761    -12.88868233
  H     16.74966817     13.66512014    -12.79475537
  O     15.48878931      8.64506268    -12.77643530
  H     13.55806229      6.26904176    -12.11180621
  H     16.13054221      9.89668577    -11.67234854
  O     10.92233361      9.77365352    -16.86090141
  H     12.72928853      9.91437072    -12.05109310
  H     16.37336441     11.42117981    -11.57255873
  O     18.15727147      6.86839605    -11.08351712
  H     13.98814243      9.61211290    -12.91068379
  H     14.91249703     10.86134907    -19.46385556
  O     11.91767733      6.89153515    -12.21427195
  H     12.23503995      8.81571362    -17.90743800
  H     14.03864651      9.90967455    -18.60880504
  O     16.37543846     12.79172329    -12.87144616
  H     13.50156729      8.00795756    -17.57446809
  H     13.00342848      9.15728285    -10.03253137
  O     16.43023420     10.59790617    -11.07246244
  H     15.26196694      6.25958528    -10.46614659
  H     11.51319230      9.51519884     -9.82098432
  O     14.55862966     10.73297623    -18.58834790
  H     15.57669332      5.77341026     -9.03183056
  H     14.84432863     12.46374343    -13.95676575
  O     12.13166044      9.18435320    -10.46662611
  H     14.79929435      8.43277126    -15.84814036
  H     13.66734931     11.46666728    -13.88611903
  O     14.13798649     12.06964621    -14.48160517
  H     13.45099113      7.78486279    -15.41484786
  H     11.43579399      8.79491620    -15.37255601
  O     11.89074468      8.34710660    -14.64858997
  H     18.88375213      8.60736806    -13.77237814
  H     12.25783703      9.03754909    -14.07594041
          69
 Energy    -248.70382282959594     
  O     14.83347357     12.46260911    -14.66505791
  H     14.06289452     11.86833175    -14.63550222
  H     16.88274858      5.44306280    -15.93778598
  O     16.20753146      6.16592368    -14.40862858
  H     14.51549665     13.33619100    -14.45273706
  H     20.02479283      6.97266391    -12.95921495
  O     17.60358969      8.85199018    -11.35254167
  H     16.57688162      6.04438322    -13.52349150
  H     18.94635576      5.91387910    -12.69317095
  O     19.91144164      7.64130081    -17.17310794
  H     15.27747683      6.40303781    -14.30100490
  H     19.49926678     12.51619474    -16.78444848
  O     17.38680271      7.16768286    -18.58238500
  H     18.52610808      8.89027103    -11.63538385
  H     18.15029602     11.83868080    -16.49894493
  O     15.09679494      8.22896106    -10.00661093
  H     17.14075720      9.52134674    -11.87610552
  H     18.03458978      8.87963798    -15.03894646
  O     13.58894621      7.04282832    -14.02006531
  H     20.02051045      6.78005478    -16.74849275
  H     16.91137952      7.80515625    -14.76293120
  O     16.21562528     10.52935283    -13.11808976
  H     19.11028422      7.57920331    -17.70506318
  H     12.99265025     10.16322958    -13.65135227
  O     20.03583730      5.18150286    -15.74474525
  H     17.32524311      6.42044897    -17.95894702
  H     12.85674724      9.95317509    -15.17336530
  O     13.17516727      5.04033775    -12.15535651
  H     17.45169274      6.79083131    -19.45599276
  H     14.40157345      5.20625183    -10.89843915
  O     19.76406063      9.44482802    -15.14396205
  H     16.00020441      8.47455921    -10.24191106
  H     14.98339978      4.72724009     -9.54696940
  O     17.37620592      5.19557972    -16.73238277
  H     15.08199950      7.26495304     -9.97295476
  H     14.03630709      8.67977654    -16.77268034
  O     19.75091782      6.08015995    -13.20103433
  H     13.69959477      7.77385190    -13.39146166
  H     12.56754632      8.37182292    -17.14155135
  O     19.08674457     11.85104257    -16.23979452
  H     13.35722134      7.43721740    -14.86875850
  H     21.00206714      9.23302897    -12.22834589
  O     17.08285709      8.73411443    -14.96453375
  H     16.52207805      9.92807011    -13.81607649
  H     20.08245547      9.10449260    -13.46462822
  O     12.83557847     10.62800390    -14.48441655
  H     15.87922171     11.31637746    -13.56041151
  H     16.61784473      5.75686258    -11.26503981
  O     15.11211708      5.35683982    -10.25156630
  H     20.71725138      4.51472845    -15.74293913
  H     17.35408921      7.06318019    -11.67482527
  O     13.15479731      8.50492428    -16.40159773
  H     19.94247175      5.48508700    -14.82427388
  H     15.85137277     12.02888762    -16.19252769
  O     20.19557909      8.82845809    -12.53764402
  H     13.24132305      5.70775393    -12.85620256
  H     16.11078147     10.87687770    -17.19237640
  O     17.28157428      6.11612000    -11.86539439
  H     12.43831158      4.48303119    -12.39266072
  H     14.69850804      9.67940172    -12.61194318
  O     16.42903531     11.74287556    -16.91139174
  H     19.93352790      8.84786361    -15.88850839
  H     14.14819457      8.85498384    -11.43521451
  O     13.92612025      9.17313038    -12.32081587
  H     19.58925143     10.32843318    -15.50095237
  H     16.17208597      8.97155092    -16.44418538
  O     15.69821469      9.00049596    -17.29128657
  H     18.28338763      5.05293625    -16.43389605
  H     16.20546374      8.43104268    -17.88294101
          69
 Energy    -248.70378293713821     
  O     11.96237080     10.00538213    -14.99193325
  H     12.32617507      9.32838768    -15.57647499
  H     14.32934596      5.13261781    -15.13996574
  O     16.05217310      6.45114506    -12.90238064
  H     12.49452021     10.80092644    -15.11316334
  H     20.31805813      8.13684016    -15.34885748
  O     17.61361151     10.70432061    -12.54465594
  H     15.49371558      6.58443174    -12.12448836
  H     18.79920958      7.92663429    -15.44061786
  O     17.89019702     11.18685672    -15.35180966
  H     16.89594279      6.89433398    -12.73242466
  H     16.60520754     12.17412151    -16.04001316
  O     12.46265528      5.47516159    -14.94169475
  H     16.67162568     10.87575950    -12.69181930
  H     16.19926343     12.99628189    -17.27274528
  O     15.38337950     10.09101964     -8.88828632
  H     17.77826225     10.89643220    -11.61307957
  H     14.40810976      8.34874780    -14.95067992
  O     14.38087786      7.12014826    -10.78882566
  H     17.94917092     11.07604638    -14.39460737
  H     15.37641777      7.82906819    -13.83930363
  O     14.91045190     10.96511233    -13.05479184
  H     17.77015967     10.30316236    -15.72308103
  H     10.29617056      9.47270629    -12.38611686
  O     15.56910906      6.70829563    -17.50569598
  H     12.36395199      5.82673971    -14.03804995
  H     11.46555596      9.52503247    -13.39699901
  O     16.04532723      7.31007191     -8.54651992
  H     11.78115163      4.81873176    -15.05621913
  H     18.31636657      9.10577152     -9.66631960
  O     17.23365397      8.54964015    -16.14765687
  H     14.65079515     10.08167075     -9.51830507
  H     18.43268374      7.95168380    -10.67528183
  O     15.28284905      5.18338083    -15.28213958
  H     15.52303263      9.17128504     -8.63101028
  H     11.79887238      7.44092536    -12.48848927
  O     19.59151333      7.66838836    -14.94373931
  H     14.89574703      7.05288851     -9.97529360
  H     12.91885322      6.59661694    -11.84556811
  O     15.86477238     12.65371399    -16.44842578
  H     14.12465729      8.05012953    -10.87138920
  H     18.88172679      7.81041556    -13.28685417
  O     15.11777476      8.60778106    -14.35074422
  H     14.45120018     11.57733851    -13.63945329
  H     18.06663518      8.92203838    -12.56859001
  O     11.21162876      9.23293365    -12.50318190
  H     14.96193048     10.11934785    -13.53266685
  H     16.92097053     10.73518613     -9.42983340
  O     18.33121065      8.14320765     -9.73278366
  H     15.68506189      6.15365011    -18.27227431
  H     18.13390954     11.65717715     -9.16381448
  O     12.20915056      6.56724189    -12.49942666
  H     15.54353005      6.11459609    -16.73177608
  H     12.65914718      9.64995125    -11.37720577
  O     18.31827283      7.98876092    -12.52169609
  H     16.90153396      7.53193359     -8.95606421
  H     14.04118084     10.27187349    -11.65787575
  O     17.81240329     10.97183905     -9.74340616
  H     16.23670512      6.78300290     -7.77592580
  H     14.35589427     12.48275873    -15.61317745
  O     13.53215855      9.78774956    -10.99072080
  H     16.56395169      8.65708246    -15.45582737
  H     13.14758886     13.25084307    -15.03300045
  O     13.55327996     12.38832959    -15.07014360
  H     16.81680668      7.97187278    -16.79677942
  H     12.86911761      7.01486315    -15.88587380
  O     13.22782693      7.82277465    -16.28054073
  H     15.65612927      5.49102913    -14.44480620
  H     13.94411007      7.54593931    -16.86540348
          69
 Energy    -248.70377705976966     
  O     18.47631771     10.61990671    -17.59662505
  H     18.46399586      9.99937953    -18.33568140
  H     16.40750122      7.41164256    -16.01563973
  O     14.63826099      6.33859785    -13.65447094
  H     17.76421805     11.26517112    -17.72561793
  H     17.78853373      6.28581592    -12.97428174
  O     17.40726244     13.21539298    -11.49687201
  H     15.50740707      6.38728814    -13.21016224
  H     17.22576896      7.58403920    -12.33198421
  O     19.99158518      8.19827276    -15.08878502
  H     14.17352014      5.60054636    -13.26977988
  H     18.15495706      8.56682886    -15.26713184
  O     15.66982882      8.00382283    -18.68181108
  H     17.83507756     12.77003474    -12.24176768
  H     17.64840150      9.46665229    -16.40333655
  O     14.20641576     11.37440740    -11.30969544
  H     16.57083221     13.55205984    -11.84077614
  H     16.18217509     12.61202974    -16.83630408
  O     14.33059113      9.07503963    -12.93457422
  H     20.02699596      7.83638944    -15.99087409
  H     15.55678701     11.72816366    -17.94061713
  O     18.20126121     11.62226698    -13.67983663
  H     20.27386938      9.11703683    -15.14078537
  H     17.03658789      9.92750962    -11.37000679
  O     19.11371599      5.75932263    -14.04795636
  H     15.59237917      7.43782961    -17.90334334
  H     16.14013269      9.35949468    -12.49048579
  O     14.97863977     10.23524442    -15.31779750
  H     15.11338818      8.77499640    -18.51617196
  H     13.24814760     10.48026001    -18.04025956
  O     18.02901000      4.98405812    -16.63408375
  H     14.09497002     10.54979482    -11.80083471
  H     14.34758822     10.24383238    -16.97847695
  O     15.85264059      6.63659766    -16.19815857
  H     14.95067423     11.22937218    -10.71213094
  H     17.04710907     11.13795466     -9.04669484
  O     17.02552335      6.65761131    -12.50758736
  H     14.29400468      8.12709143    -13.10660294
  H     17.02085156     11.90133064    -10.39452473
  O     17.34860286      8.89172603    -15.68648604
  H     14.40538003      9.50331728    -13.80076337
  H     14.15154990     14.36644609    -12.36584552
  O     16.31924412     12.28158200    -17.73475252
  H     17.88570695     10.80144492    -13.27459292
  H     14.50412356     12.87449330    -12.15766102
  O     17.06284605      9.49507432    -12.23369621
  H     18.95770417     11.41162484    -14.23821415
  H     19.22338046      6.27576918    -17.35591907
  O     14.18220485     10.31657034    -17.93410766
  H     18.82640115      5.36585706    -14.87922698
  H     19.27756422      7.51976720    -18.26840671
  O     16.71402992     11.09695591     -9.93861729
  H     19.56608774      6.57991381    -14.28970743
  H     16.82646746     12.41128738    -14.55816303
  O     14.78333358     13.69374319    -12.60495425
  H     15.80146869      9.72628683    -15.38002982
  H     15.53049074     13.19454673    -14.22827319
  O     19.75287824      7.05490872    -17.57015492
  H     15.23755606     11.15448437    -15.16011819
  H     20.99521179     11.53725795    -15.79543561
  O     16.00797272     12.75818645    -14.94496028
  H     17.78265256      4.11977800    -16.95386304
  H     19.68323544     10.91546054    -16.33168950
  O     20.24642730     11.00311143    -15.54282849
  H     17.20470986      5.48109783    -16.50588536
  H     18.27403102      8.49817847    -20.41365897
  O     18.20313726      8.55686847    -19.46471855
  H     15.33162052      6.48340767    -15.40082095
  H     17.28461227      8.32787106    -19.23530385
          69
 Energy    -248.70355221457748     
  O     14.24319691     12.91977239    -13.56651720
  H     14.80733409     12.30833961    -13.07502689
  H     13.14402566      6.40009693    -14.61153313
  O     14.22009929      6.99793091    -13.24746732
  H     13.35770370     12.77731707    -13.21076058
  H     15.99060327     11.42938005    -16.82873572
  O     17.54734979      9.01543426    -12.24866693
  H     14.33734026      7.82093604    -13.74741889
  H     16.96713969     10.25765180    -16.53212210
  O     17.43577840      9.11307533    -15.11645947
  H     15.10260628      6.66274414    -13.05614348
  H     14.08621815      9.67844841    -15.24637077
  O     13.00660063     10.46942842    -16.52418387
  H     17.71249531      8.83992742    -11.31403698
  H     15.57042152      9.27984579    -14.93388988
  O     14.82061011      9.06013992     -8.87532153
  H     16.81825515      9.65501664    -12.24853080
  H     10.98777591     12.64614595    -12.25480811
  O     12.34399269      7.61979899    -11.40878227
  H     17.46646597      8.17932046    -15.36726233
  H     11.48980944     11.49883954    -13.16478170
  O     15.36097726     10.68700825    -12.29791428
  H     17.67479907      9.16199733    -14.18251441
  H     16.71245374      6.75199200     -9.85313206
  O     14.81079960      6.74634409    -16.93309627
  H     13.36231916      9.97428796    -17.27291947
  H     16.45383545      5.89652099    -11.09871772
  O     13.68784967      6.44173239     -9.22140065
  H     13.48538964     11.30999592    -16.49415335
  H      9.73910380      7.37416043    -13.38007969
  O     17.17458743      6.37369681    -15.70170390
  H     14.23066244      9.62505851     -9.39020065
  H     11.11756487      7.68214994    -12.76394940
  O     12.53102040      6.40295014    -15.36173215
  H     14.38948300      8.19667346     -8.85203594
  H     17.15519061      7.26255882    -12.68199385
  O     16.46188911     10.68999447    -17.23296670
  H     13.02908664      7.38929534    -12.05900343
  H     17.05070810      6.21960338    -13.82756321
  O     14.67914973      9.34095419    -14.56635911
  H     12.61412664      7.17993113    -10.59406661
  H     17.97190294      8.72433898     -8.72551410
  O     11.74524663     12.09697063    -12.43830569
  H     14.65818180     10.55083718    -11.64951888
  H     16.51884246      8.78712352     -9.24864754
  O     16.20299480      5.99592107    -10.17182465
  H     15.04934000     10.26326766    -13.11400110
  H     14.64894464      9.20147091    -19.40382025
  O     10.59264322      7.75336391    -13.57749961
  H     13.96005286      6.59790917    -16.49650026
  H     15.31499745      9.68646157    -18.09225231
  O     16.89374110      6.35157756    -12.88445048
  H     14.69909173      7.51558824    -17.50262534
  H     12.74888033      9.39288811    -11.00439662
  O     17.42098557      8.49194545     -9.46833563
  H     14.55479114      6.20117032     -9.59540182
  H     12.57057008     10.92208409    -11.22941418
  O     14.58365398      9.15360193    -18.45379810
  H     13.48771353      5.78715756     -8.55754524
  H     14.55232143     12.82531733    -15.26637572
  O     13.08320050     10.26302774    -10.74498694
  H     16.30729742      6.45930209    -16.13925707
  H     14.68244485     13.58606081    -16.60438574
  O     14.68406744     12.71136579    -16.22439929
  H     17.69780343      5.78932269    -16.24360624
  H     11.66815557     10.38951086    -15.22713744
  O     11.12086784     10.40454517    -14.43167716
  H     11.74395618      6.82724692    -15.00862754
  H     10.90958832      9.48881858    -14.21323630
          69
 Energy    -248.70342323986384     
  O     -7.13093937     -2.77989731      6.61235517
  H     -6.85081349     -3.28370119      7.37223196
  H     -6.11978571     -2.47347407     -0.87985046
  O     -9.32430536     -2.32644786      3.00731079
  H     -6.53309254     -2.01292670      6.55134820
  H     -4.07439236      2.61218321      1.88766688
  O     -7.08140416     -3.68476414      3.91879205
  H     -8.80821216     -1.52395659      3.18612108
  H     -4.98697826      1.44979028      1.41540254
  O     -6.06099615      0.81955870      0.17347373
  H    -10.14374549     -2.24107016      3.50772382
  H     -6.88078201     -0.19661720      3.55638963
  O     -6.21760645      2.08263063      6.78695416
  H     -7.06427562     -3.44851683      4.85406596
  H     -8.11068046      0.34071528      4.35127427
  O     -5.88326723      5.44674133      2.82994706
  H     -7.92981791     -3.36325750      3.58290243
  H     -5.68234522      0.25557516      6.59011707
  O    -10.85490385      0.34749259      0.53592129
  H     -6.92546275      1.15097624      0.45438410
  H     -5.22189012     -0.60895093      5.39809332
  O     -9.63577417     -1.40782803      6.52423063
  H     -6.18117769     -0.12148860      0.00653163
  H    -10.79951570      2.21056139      4.11020559
  O     -5.05662260     -0.50893232      3.58558103
  H     -5.85222767      2.70140026      7.41292233
  H    -11.12503690      3.46694868      4.95255500
  O     -3.75776570      4.33949384      1.40810863
  H     -6.02722337      2.43243117      5.89688268
  H    -11.30424016      0.63881296      2.36280344
  O    -11.52331742     -1.69660452      4.63268778
  H     -5.60620739      4.86774179      3.55072917
  H    -11.52808578     -0.02592901      3.74364138
  O     -6.47636222     -2.00638145     -0.12691133
  H     -6.78710710      5.15617198      2.65485307
  H     -5.86162789     -3.27600018      2.79706173
  O     -4.45962165      1.77019997      2.16478021
  H    -10.34238560     -0.46717673      0.38306858
  H     -4.46197579     -3.58155684      2.20893745
  O     -7.83390896     -0.04845985      3.51182694
  H    -11.43088340      0.45559908     -0.21581479
  H     -9.37487239     -2.16240666      1.20870334
  O     -5.49369765     -0.65151916      6.32613961
  H     -8.83506738     -1.94297034      6.57474750
  H     -8.38670568     -1.89351150      0.06039218
  O    -10.40227857      2.94782358      4.61010788
  H     -9.33787606     -0.49201081      6.42820925
  H     -7.91354061      1.52931423      6.31366959
  O    -11.44149854      0.82611872      3.29903204
  H     -4.70209273      0.23927498      3.08405135
  H     -9.26314716      1.84462181      5.57737283
  O     -5.18985697     -2.96732537      2.16028335
  H     -4.97831052     -1.30334371      3.04552853
  H     -5.37115710      2.52740163      3.58262649
  O     -9.32205259     -1.86252015      0.28876195
  H     -4.49699959      4.83659772      1.79307232
  H     -6.73586619      3.20815391      3.85850459
  O     -8.70060143      1.13656178      5.91559365
  H     -3.48242843      4.83207091      0.63922803
  H     -8.26536006      0.99220459      2.10395959
  O     -5.89552701      2.95910086      4.26987365
  H    -10.88943104     -1.62024309      5.37016823
  H     -9.30235986      1.26863397      0.98391419
  O     -8.46800144      1.57601701      1.35580515
  H    -12.27513180     -2.18021595      4.96290541
  H     -9.00060535      3.65391606      3.54228578
  O     -8.24037540      3.79370999      2.96584128
  H     -6.03130281     -2.36549935      0.65617219
  H     -8.30793480      3.11542466      2.27751298
          69
 Energy    -248.70296258364274     
  O     10.69141541      8.98369821    -11.85167269
  H     11.54601851      9.37869532    -11.63428155
  H     16.08762140      6.58136490    -13.65784804
  O     11.89304022      3.64210057     -9.37159740
  H     10.75492578      8.72587581    -12.77773644
  H     14.04180816      6.28389822    -12.72289141
  O     17.57012481      6.82631066    -12.69593158
  H     12.73644104      3.58511776     -9.85017702
  H     12.54016815      5.96261522    -12.51257337
  O     16.72960564      4.51035695    -10.07845171
  H     11.82558659      2.85057564     -8.84330296
  H      8.87609451      7.68186385     -9.64034309
  O     15.62203399     11.39445341    -11.52626788
  H     17.22053757      6.96167716    -11.80272088
  H     10.02496113      7.92047349    -10.64470931
  O     11.88135265      6.38460011     -8.40359842
  H     17.91576427      7.68167130    -12.98771462
  H     18.16025029      9.68235605    -12.24799200
  O     13.92904441      8.80494856    -14.16314635
  H     16.79365386      5.46643624     -9.95335298
  H     17.50737145      9.89063409    -13.62923425
  O     12.73166206      3.44100681    -14.72090802
  H     17.25098553      4.30168992    -10.86194028
  H     13.28287012      7.26370418     -9.14813594
  O     17.65115931      9.99411513    -10.40277300
  H     15.75999953     11.36257012    -12.48054215
  H     13.68670168      7.09303971    -10.62104332
  O     15.23608539      3.55936529    -13.47136769
  H     14.77312118     10.95376373    -11.38095683
  H     17.91493738      5.08972524    -12.77743913
  O     14.19895463      3.80329536    -10.85416298
  H     11.90025297      5.44345644     -8.61351299
  H     18.80945576      3.83734423    -12.92461633
  O     15.24281701      6.35815090    -14.07687522
  H     11.10475405      6.73554247     -8.85881887
  H     15.69766934      7.46004514     -9.93849564
  O     13.36648515      6.14006605    -12.04772626
  H     14.40042817      7.96522595    -14.25840927
  H     17.02497857      8.24809235    -10.11364141
  O      9.67604584      7.29455502     -9.98611744
  H     13.00307449      8.62665109    -14.37185693
  H     15.18749314     10.08936003    -14.32110768
  O     18.21862996      9.42117020    -13.17625692
  H     13.63160480      3.38564729    -14.36717280
  H     15.84104698     11.25027390    -15.10099286
  O     13.90309953      7.58825062     -9.81482884
  H     12.57119924      2.60696904    -15.15672702
  H      9.86380818      5.63681332    -10.84020130
  O     17.92047290      4.11833505    -12.72305861
  H     18.14411690     10.53847530     -9.79444257
  H     10.64977276      4.32555605    -10.65748567
  O     16.63879765      7.36363225    -10.14532782
  H     16.91011021     10.53699498    -10.72695023
  H     13.57738912      9.06165966    -10.80867351
  O     15.91504762     10.73224895    -14.30310055
  H     14.84641447      3.49973646    -12.58682320
  H     13.61003450      9.35725633    -12.33956061
  O     10.10484255      4.81388775    -11.28595907
  H     16.19014243      3.59906399    -13.33022267
  H     10.62848414      8.19633752    -15.26747207
  O     13.38217307      9.73346174    -11.47903071
  H     15.06215956      3.99121876    -10.45461153
  H     11.17236252      7.12987994    -14.28850528
  O     11.22607696      8.07037200    -14.53474730
  H     13.87315021      4.63797115    -11.22485592
  H     10.69992690      5.17640763    -12.89764180
  O     11.18849398      5.49704857    -13.67247961
  H     15.19375575      5.39473588    -14.08792458
  H     11.65502647      4.75317953    -14.07817468
          69
 Energy    -248.70293449665155     
  O     12.13551370      9.74107436    -10.02690738
  H     12.20262474     10.63732362     -9.65068844
  H     11.45979668      7.26732330    -17.03603260
  O     15.00759473     11.54891469    -12.86626219
  H     11.73201938      9.19036525     -9.36087274
  H     12.57486902     13.05902314    -14.78185714
  O     15.17895211     14.64665134    -15.09301529
  H     15.04804275     11.02520422    -12.05740913
  H     11.87843857     13.02394393    -16.15322647
  O     15.62500912      8.03013502    -12.41963735
  H     15.62430738     12.29116614    -12.80499640
  H     17.59287651     13.60202310    -17.42977267
  O     11.51739181      9.86933621    -12.76620375
  H     15.75171114     14.28393613    -15.78059153
  H     17.37329678     12.78236058    -16.13729328
  O     10.43335606     12.03363217    -16.82685456
  H     14.28436474     14.37037559    -15.32285833
  H     12.43259207     13.67698405    -11.77050415
  O     14.49728517     11.84835330    -17.23837301
  H     16.35113195      8.34586792    -12.97090336
  H     11.99887974     15.03799413    -11.17982290
  O     15.44424354     11.96909674     -8.85214396
  H     14.85620006      7.93940744    -12.99761041
  H     17.73496699     12.67798439    -13.96172669
  O     12.46501774     12.46003825    -13.06991871
  H     11.63211352      9.76786168    -11.81382148
  H     18.01537917     11.20903817    -14.38354557
  O     15.15016078     10.12882345    -15.18250987
  H     12.17980868      9.30777935    -13.19537427
  H     15.47657846     13.55561686     -9.91595746
  O     12.60402386     12.21239395     -9.04328022
  H      9.59976253     12.32524251    -17.18627131
  H     14.42703077     14.38119425    -10.68207669
  O     11.69923994      7.98417466    -16.45482147
  H     10.23096931     11.32924562    -16.18482455
  H     13.97752746      8.94259815    -14.59008078
  O     12.68114415     13.32255723    -15.70699612
  H     15.34468519     12.31055716    -17.26884800
  H     12.79377247      8.01654087    -14.91684108
  O     16.91727941     13.20389136    -16.88742196
  H     13.88859283     12.40221644    -16.72617179
  H     16.73434418      9.50277650    -14.72220300
  O     12.52200815     14.26101070    -10.99910011
  H     16.08256565     11.74513143     -8.17962048
  H     18.05070262      8.70451526    -14.86027138
  O     18.08088659     12.12325221    -14.67604308
  H     15.37521079     11.19843321     -9.44056445
  H     11.65125168     10.82409990    -17.70557705
  O     15.37614611     14.28581297    -10.53877620
  H     13.40115163     12.21435375    -12.99845468
  H     13.17059942     10.66966338    -17.85025528
  O     13.36092411      8.30798739    -14.19236436
  H     11.97992733     11.62861625    -12.99150328
  H     16.30333113     14.07082815    -12.06027487
  O     17.54697967      9.24297269    -14.25337448
  H     14.93213497     10.67587567    -15.94562799
  H     16.11816515     14.19422185    -13.61165510
  O     12.33951699     10.18282122    -17.92250597
  H     15.10567462     10.69004386    -14.39111717
  H     10.46752390      9.18389714    -15.58582830
  O     16.63181387     13.75606725    -12.91488877
  H     12.47968383     12.96533398     -9.63494119
  H     10.38859455      9.93731673    -14.24975489
  O     10.03949017      9.93182142    -15.15058049
  H     13.54165825     12.21000307     -8.81250942
  H     13.97989285      9.75518449    -10.41122248
  O     14.91639863      9.90883355    -10.58921515
  H     11.98982650      8.71998016    -17.02374268
  H     15.23256300      9.17101874    -11.13292934
          69
 Ord_Energy   -248.702744    
 O   -2.98020411      -2.93725467       3.54722047    
 H   -3.11100173      -3.57773209       2.82308364    
 H   -2.90176296      -3.44311881       4.35134077    
 O   -1.17915106      -1.57771873      -3.58222485    
 H  -0.423921466      -1.36180294      -3.01256895    
 H  -0.875935793      -1.49953067      -4.48424006    
 O   -3.46005130       2.71208310      -1.53063703    
 H   -3.36514378       1.84997571      -1.96032822    
 H   -4.28523016       2.68377399      -1.03374374    
 O   -2.74804354      -3.84026265      -2.77379465    
 H   -2.28644800      -4.27169132      -2.04395628    
 H   -2.20220828      -3.09300518      -3.04372001    
 O   0.341659844      0.636892974       2.44011188    
 H   0.971842110      0.408116221       3.11771464    
 H  -0.225048795     -0.142956212       2.30527067    
 O   0.479473829       1.16342759     -0.340782642    
 H   -5.88793382E-02   1.95686305     -0.450601906    
 H   0.535087168       1.01077843      0.610451579    
 O   -1.36025167      -5.02728224     -0.598165631    
 H  -0.842043221      -5.82585812     -0.655342579    
 H  -0.742809236      -4.30745459     -0.376005352    
 O   -5.64258051     -0.823533356      -3.04515314    
 H   -5.67681313      -1.78559792      -3.00913811    
 H   -6.18957329     -0.498724192      -2.31314564    
 O   -5.72926426       2.46068454      0.207816154    
 H   -6.15873623       3.18249369      0.659950852    
 H   -5.17249632       2.00956988      0.865783632    
 O   -5.17055273      -1.07017469       3.22387528    
 H   -4.77475357     -0.251747042       2.89154196    
 H   -4.44389772      -1.68305194       3.38224339    
 O   -4.04179382       1.07570696       1.84788346    
 H   -3.27061296       1.61740541       2.06937170    
 H   -3.75710034      0.417890757       1.19613171    
 O   -3.21757102     -0.885823011       6.37653694E-02
 H   -3.86211157      -1.60470831       2.69813202E-02
 H   -3.15944910     -0.504562676     -0.821514547    
 O   -1.26890135      -1.48049510       1.88855648    
 H   -1.90063810      -1.24372315       1.19130158    
 H   -1.76839387      -1.96631873       2.55608320    
 O   -1.15506196       3.46129537     -0.389542997    
 H   -1.99404609       3.21737123     -0.821784675    
 H  -0.944208324       4.34416723     -0.679957271    
 O   -6.99680710      0.120792396     -0.822680295    
 H   -7.09881687     -0.432788819      -4.02794704E-02
 H   -6.63357973      0.959038913     -0.511545539    
 O   -3.32834077      -4.54457951       1.42069077    
 H   -2.65524673      -4.78401899      0.773958087    
 H   -4.01340151      -4.07123423      0.925535262    
 O   -7.11443567      -1.65924501       1.43756151    
 H   -6.46619368      -1.44069469       2.13130689    
 H   -7.91630173      -1.92005610       1.88196909    
 O   0.936323345     -0.948293090      -1.91282380    
 H   0.744385123     -0.159193426      -1.37293243    
 H    1.86606693     -0.912291408      -2.12284851    
 O   -5.10382795      -2.96970415       1.35640204E-02
 H   -5.33393717      -3.20899963     -0.893037200    
 H   -5.88453197      -2.59460187      0.439966947    
 O   -5.43531275      -3.64965868      -2.67189550    
 H   -5.83376455      -4.36267614      -3.16257834    
 H   -4.46942234      -3.74636436      -2.76479745    
 O   0.240242973      -2.94806218       3.49240787E-02
 H   0.509053051      -2.29206538     -0.617320120    
 H  -0.214679211      -2.46318030      0.737123787    
 O   -3.17774105      0.135646224      -2.51482797    
 H   -2.51536226     -0.394870877      -2.96785069    
 H   -4.05559254     -0.183775946      -2.78471375    
 O   -1.76732731       2.55280209       2.24174452    
 H   -1.01968384       1.97529864       2.43762255    
 H   -1.56563818       2.95917964       1.38880086    
          69
 Energy    -248.70265026206212     
  O      9.09259942    -11.30712384     -2.32084788
  H      8.16133256    -11.35500279     -2.58541784
  H      5.14904516     -8.77534876     -1.61647824
  O      6.26692916    -10.02523021      3.34396961
  H      9.40319256    -10.43116996     -2.58180536
  H      6.03088702     -7.85032146     -3.42499939
  O      7.69054275    -15.65153276     -1.59160710
  H      5.46540670    -10.41709116      2.96849855
  H      5.02221183     -6.69419996     -3.21324899
  O      7.96201585     -7.35155024     -1.18544123
  H      6.74273342    -10.77984845      3.70490164
  H      7.54859445    -15.31101523      1.69776945
  O      4.16143130    -15.22533478      1.72013855
  H      8.45525022    -15.04821501     -1.56188410
  H      7.18436780    -15.69825595      0.21923121
  O      7.08111261    -12.71777641      4.34400015
  H      7.95706604    -16.40797261     -2.10723609
  H      9.04258850     -8.14832836     -2.30077707
  O      7.09563199     -9.01669971      0.90480860
  H      7.70866511     -7.80123472     -0.36789857
  H     10.28872641     -8.06962658     -3.21409713
  O      7.03513815     -8.94211334     -4.37509668
  H      7.13749857     -7.17344063     -1.65409552
  H      2.32889317    -14.38894073     -1.12362014
  O      6.36754569    -12.79908484      0.52611159
  H      3.77955418    -14.86753909      0.91101482
  H      3.11421776    -13.14283530     -0.65130629
  O      9.75273950    -13.91379458     -1.44027550
  H      5.06724215    -15.49040419      1.49880567
  H      8.23649400    -13.82706987      3.29464625
  O      5.63798001    -13.75697734     -2.04517026
  H      6.20024405    -13.10951272      4.23746062
  H      9.40633558    -14.01177448      2.29238338
  O      5.17657574     -9.58382884     -1.08898393
  H      7.26465982    -12.73147321      5.28202853
  H      9.93529787    -12.28896440      1.00109847
  O      5.55171792     -7.33693640     -2.74990966
  H      6.79531553     -9.17181737      1.81029304
  H     11.39189776    -12.59434632      1.42474134
  O      6.82013117    -15.53225585      1.09651853
  H      7.74293623     -9.71581567      0.73467444
  H      3.75094577    -10.76316031     -0.70892217
  O      9.54860580     -8.62457822     -2.98398909
  H      7.94509150     -8.82356216     -4.07612527
  H      3.37980746    -11.43984238      0.61186411
  O      3.17030274    -14.10864977     -0.77269547
  H      6.77691751     -9.82584685     -4.07804443
  H      4.34954776    -14.37075003      3.20160529
  O      8.69336118    -14.47709690      2.74653752
  H      6.54215395    -13.68825297      0.86130797
  H      3.85966951    -14.09601196      4.64199142
  O     10.56371990    -13.00690616      1.19277778
  H      6.08113423    -12.92569278     -0.38679324
  H      4.22101268    -12.33231605      2.82724212
  O      3.17128388    -11.43763600     -0.33370134
  H      9.62333699    -13.05395378     -1.86281030
  H      5.06289389    -12.01571253      1.57276575
  O      4.48824093    -13.80770024      3.98560310
  H     10.13003553    -13.73163277     -0.57203513
  H      7.84754763    -11.78835414      0.51483982
  O      4.35783042    -11.66824115      2.14233918
  H      6.25835117    -14.49117364     -1.95212510
  H      8.83654803    -11.21306292     -0.54233154
  O      8.64285039    -11.24406389      0.40573985
  H      4.77886571    -14.02889894     -1.69621252
  H      5.96889303    -10.71183214     -2.27443775
  O      6.40165663    -11.27665777     -2.93134518
  H      5.77088361     -9.40909082     -0.34630762
  H      6.07578777    -12.17497750     -2.78812551
          69
 Energy    -248.70245879893639     
  O     -4.25210436      3.95208881      4.04236823
  H     -3.38201016      4.05938361      4.46671291
  H     -2.07747703      0.00823096     -4.05840663
  O     -3.94330851     -1.75216883      0.06808962
  H     -4.90417335      3.99677768      4.73665780
  H     -0.39887728      2.37213946      3.45704910
  O     -1.68163907      5.56402130     -1.46517465
  H     -4.24747477     -0.99738999     -0.46800537
  H     -0.52229752      1.30380470      4.58123331
  O     -4.09988792      2.96283153     -0.54257281
  H     -4.61181589     -2.42793926     -0.00482479
  H     -0.86000711      4.68338768      2.34149169
  O     -1.10488823      2.98373340      1.92057596
  H     -1.61243656      4.63890480     -1.73202083
  H     -0.38842641      6.09540366      1.88227403
  O     -1.44651619     -0.22369049      4.68920431
  H     -2.60058137      5.69643489     -1.20335146
  H     -3.97393296      2.40579102      1.15338569
  O     -4.57443393      0.35630984     -1.52261793
  H     -3.23335959      2.89003994     -0.97048885
  H     -4.02503077      2.68363906      2.70414575
  O     -2.64804072     -0.45086785      2.19038935
  H     -4.33178211      3.89940056     -0.55539964
  H     -1.16397159      3.56259929      5.00243114
  O     -0.12296541     -0.45354571      0.92151595
  H     -2.01523392      2.66617840      1.88416518
  H     -1.33757378      4.95277147      4.36571058
  O      1.76709708      0.44900920      2.71366843
  H     -0.63041379      2.66635958      1.14317648
  H     -1.82288624      1.99511577     -2.43496613
  O     -4.35561812      5.74503598     -0.43145462
  H     -1.26641463     -1.07790560      5.07486174
  H     -0.86788486      2.53308932     -1.34167689
  O     -2.23422519      0.33623942     -3.17715197
  H     -1.91151214     -0.39840075      3.85616091
  H      1.04890916      4.82005279      3.18873535
  O     -0.04198262      2.10347333      4.31969545
  H     -4.60080078      1.26034253     -1.18444952
  H      1.28497003      3.49474456      3.93111949
  O     -0.69127108      5.58901082      2.65200382
  H     -3.89138119      0.35442106     -2.20526534
  H     -3.88069473      5.33596644      2.79054225
  O     -3.71786683      2.07026290      2.02504480
  H     -3.11799510     -1.00194732      1.55239642
  H     -2.57248105      5.98541733      2.30317393
  O     -1.73528318      4.33988147      4.99822626
  H     -3.07578753      0.41852155      2.16559747
  H      1.25018840      2.30895981      0.16570662
  O     -1.65175727      2.75509143     -1.86516300
  H      0.57634661     -0.30253403      1.57381801
  H      0.25624409      1.10761546      0.09924199
  O      1.72580863      4.16366941      3.39193760
  H     -0.96522386     -0.43565632      1.39553367
  H     -2.25795694     -1.74295007     -0.88102989
  O     -3.52004780      5.94114681      2.13161307
  H      2.23863811      1.13938507      2.23118201
  H     -0.83628841     -1.21863127     -0.62157592
  O      0.40492982      2.01779037     -0.19897552
  H      1.26008222      0.91125602      3.39065643
  H      2.40635807      3.32791805      1.98908270
  O     -1.44216191     -1.48336251     -1.32659640
  H     -4.99710622      6.42461110     -0.61885937
  H      3.58645733      3.03213044      1.03580338
  O      2.70053705      2.75774653      1.25763671
  H     -4.07701931      5.86590917      0.49438783
  H      0.44567283      7.49161938     -0.12300353
  O      0.01506626      6.76119721      0.31215423
  H     -1.87406974     -0.32751689     -2.56134744
  H     -0.54996186      6.34241824     -0.35961816
          69
 Energy    -248.70239908177979     
  O     14.53534739      8.16919508    -17.15824193
  H     15.25653044      8.55432712    -17.68077087
  H     16.23066832     12.23665728    -19.15542101
  O     13.90244173      9.91603512    -20.42004608
  H     14.89128697      8.06591810    -16.26750052
  H     16.43672312     13.72366856    -13.28315184
  O     12.54479769      9.87407510    -17.87613167
  H     13.34084088      9.97359241    -19.63967545
  H     17.50289336     13.19792310    -14.26633538
  O     16.15395333     15.38939400    -15.93769125
  H     14.58456061     10.59445807    -20.31297689
  H     17.79119181      5.48843571    -18.62387580
  O     14.68882356     13.11544635    -12.67048465
  H     11.67427599      9.50587123    -17.74692844
  H     18.99696226      6.32743569    -18.17770324
  O     18.26012592      9.15238562    -16.18983421
  H     13.18387354      9.20193632    -17.57979310
  H     14.51294825      8.40456225    -21.01873291
  O     13.91624646     11.86313622    -16.43737261
  H     16.48737756     16.28018978    -15.99951766
  H     14.50658437      7.37029095    -22.16734327
  O     16.69131962      9.27771695    -18.43674409
  H     16.58191264     14.98039064    -15.16377568
  H     14.42146820     14.77196119    -15.33042927
  O     16.00178437      8.17405615    -14.79663943
  H     14.21819446     13.37813412    -11.88435752
  H     13.60406709     13.48143128    -15.52802652
  O     15.24329700     10.80780722    -14.19169474
  H     14.26053210     13.56640923    -13.42044302
  H     16.74050267      6.39544642    -15.06874924
  O     17.61432340      7.97183456    -20.71792069
  H     18.86758690      8.40698243    -16.26097053
  H     16.89666769      5.28294899    -16.14550756
  O     16.05241086     11.59236697    -19.85248988
  H     17.76834659      9.20314679    -17.02433864
  H     17.25311146     12.11201986    -16.19770819
  O     17.18034797     14.00044226    -13.83215516
  H     14.28017987     11.37672312    -15.68396720
  H     17.99986853     10.86052818    -15.63707238
  O     18.47612734      6.08434764    -18.95181119
  H     13.36894236     11.25399641    -16.94563784
  H     14.56617096      6.46458299    -19.79281462
  O     14.88342406      7.55173604    -21.31017572
  H     17.05418995      8.74230326    -19.15387554
  H     14.36689756      6.72476155    -18.28477271
  O     13.70750186     14.24762619    -14.94700430
  H     16.43839209     10.12122482    -18.83256695
  H     18.10449441      9.68485925    -21.15605950
  O     17.33053874      5.70366753    -15.39131810
  H     16.82438132      8.46931814    -15.21565897
  H     19.08715540     10.75298074    -21.66171686
  O     17.60095582     11.70611633    -15.39164000
  H     15.62588262      8.96721728    -14.39322820
  H     16.20110274      3.59131527    -17.92013145
  O     14.45477852      6.02170476    -18.94316773
  H     16.09210994     11.09556995    -14.56203076
  H     15.65347195      5.00422787    -18.22879733
  O     18.22624432     10.64135375    -21.26711957
  H     15.00175509     11.46974712    -13.53223654
  H     18.86421422      6.29915460    -15.97278394
  O     16.37976188      4.51998740    -17.79793464
  H     17.97971048      7.23884088    -20.19785958
  H     20.41206006      6.35463107    -15.98037506
  O     19.63565430      6.71879033    -16.39666701
  H     16.72409809      7.72969460    -21.00498363
  H     16.23865968     13.91119348    -17.10210350
  O     16.21772334     13.02106922    -17.47454255
  H     16.85601832     11.44405741    -20.37343609
  H     15.37878001     12.62498071    -17.19082476
          69
 Energy    -248.70235588857614     
  O     17.28009506      9.47236908    -15.21026231
  H     17.17709044     10.21904804    -15.81436100
  H     13.91347171     11.27960372    -12.29331803
  O     16.19685094      9.14539982     -8.44201813
  H     17.16316561      9.80864439    -14.30885044
  H     13.07757235     12.35684715    -10.11408019
  O     17.04957497     11.80907336    -16.60335136
  H     16.22138643      8.89619079     -7.52247492
  H     14.51963483     11.79972342    -10.18081232
  O     13.71649820      9.01383733     -9.48010834
  H     15.27075096      9.06142610     -8.73642407
  H     19.10836483      5.97979530    -12.11662517
  O     15.82509269      7.19124756    -14.79041916
  H     17.91246071     12.18695959    -16.38647860
  H     18.47944574      5.28059361    -13.33707624
  O     19.55124042      8.06847363    -14.70842841
  H     16.40613498     12.28102563    -16.06005217
  H     16.94474479      8.48074687     -9.95925940
  O     20.72326543     10.65094695    -14.41820584
  H     13.53730579      9.86978150     -9.88838857
  H     16.71839975      7.51025199    -11.17552147
  O     19.79172492      7.94644180    -11.91024864
  H     13.53053736      8.33418486    -10.13963154
  H     17.24745131      6.09850097    -15.12217386
  O     13.37834280      6.93501004    -11.37730973
  H     16.33031712      7.98377629    -15.02721686
  H     18.03163288      5.03154826    -15.91512720
  O     15.28612567     13.06736327    -14.71227709
  H     14.92551142      7.50609724    -14.61776681
  H     18.47363606     13.40424469    -14.24682937
  O     13.50280480      8.34569418    -13.89452294
  H     18.79274656      8.62770282    -14.94418035
  H     16.97898761     13.50632223    -13.88284844
  O     14.27251629     11.00661870    -13.14743328
  H     19.29521674      7.17873534    -14.97239249
  H     16.93516472      9.51971636    -12.01215502
  O     13.61216703     11.67789058    -10.51693882
  H     20.49508982      9.73608406    -14.62343694
  H     17.34570379     10.98903500    -12.24419916
  O     18.49673502      5.28068259    -12.37046902
  H     20.77365460     10.70098902    -13.45629048
  H     19.98681193     12.00302142    -15.24154237
  O     17.26403889      8.23143444    -10.83519264
  H     19.68575343      7.98716169    -12.87235338
  H     20.23024033     13.24987553    -16.12059638
  O     18.10092739      5.63773959    -15.18161607
  H     18.91480583      8.04321721    -11.50798102
  H     18.25127363     12.79278553    -12.00768322
  O     17.86784560     13.60942460    -13.52323437
  H     14.25848861      6.58139249    -11.58904933
  H     19.17310606     11.71621748    -11.32697385
  O     16.85418306     10.25519762    -12.63330283
  H     12.80224041      6.18204733    -11.26545022
  H     15.86099530      6.56359431    -13.06143193
  O     19.55225331     12.77213314    -15.65011089
  H     14.60301538     13.69131121    -14.94669339
  H     16.74813087      5.72011249    -12.11476130
  O     18.32602222     12.17237846    -11.26406780
  H     14.85250616     12.35946787    -14.20982648
  H     20.41369743      9.60919889    -11.59616994
  O     15.91139239      6.20511768    -12.16313087
  H     13.65910708      9.28207078    -13.71679627
  H     21.46423406     10.58496916    -11.02440544
  O     20.66913857     10.54568942    -11.55111477
  H     13.29883090      7.94142659    -13.04338496
  H     16.92801858     12.00949746    -10.06301423
  O     16.13494037     11.81361593     -9.54596240
  H     15.17483243     10.69826814    -12.96654241
  H     16.29882250     10.97924081     -9.09161743
          69
 Energy    -248.70208154927053     
  O     -0.34836611     -3.28737364      0.12402900
  H      0.28932796     -3.16627291     -0.58968479
  H      3.48864247      0.00918863      2.46872697
  O      0.70254096      3.00014719      0.78002267
  H     -1.15518503     -2.82848666     -0.13940347
  H     -1.95249593      1.30384222     -1.50159322
  O     -2.08835285     -0.26648985      1.73525223
  H      1.65454956      3.13276273      0.86813447
  H     -1.05067089      0.23416965     -2.14235219
  O      0.56079239     -3.44627709      2.65280007
  H      0.34950011      3.00366863      1.68245430
  H      1.65499054      0.79860158      4.75163340
  O     -2.70051251     -1.80638263     -0.53418884
  H     -1.87771187     -0.76938663      2.53635228
  H      1.26577459     -0.16291782      3.61789031
  O      2.17263276      4.22324083      3.98261806
  H     -2.43840408     -0.86985697      1.07018710
  H     -2.46229702      1.50011056      1.97926560
  O      3.20892142      1.71979672      5.00319009
  H      0.72156369     -4.35690551      2.88388831
  H     -2.38148561      2.76182368      1.11132366
  O      5.54416082     -0.02695673      0.13474022
  H      0.19629159     -3.44106628      1.74827064
  H      1.29719987     -1.80441340     -2.06350748
  O     -0.14468791      2.83622837      3.43340094
  H     -2.49305572     -1.01369726     -1.06159516
  H      1.67006857     -3.14119543     -2.75035803
  O      2.41118480      1.87872381     -2.83184712
  H     -3.53131182     -2.14361673     -0.85843370
  H     -0.46616602      0.08579100      1.00163756
  O      2.09584812     -1.18729932      2.20688336
  H      1.29525683      3.82499610      3.85112878
  H      0.57034877      1.21136542      0.68937851
  O      4.16948942      0.69507087      2.49787576
  H      2.03286635      5.04830712      4.44034504
  H      3.06899769      3.71693184      2.37793835
  O     -1.96553087      0.42122304     -1.89025647
  H      3.73251339      1.38789176      4.26218050
  H      3.61745601      2.34738819      1.92192576
  O      0.89386632      0.38018733      4.32253248
  H      2.98358357      2.63087328      4.77932421
  H      4.78396787      1.54031370     -0.62473195
  O     -2.45531780      2.46793892      2.02565159
  H      6.41397175     -0.37790861     -0.03664331
  H      4.05567894      2.79706309     -0.10732623
  O      1.58430539     -2.72042814     -1.89886275
  H      4.91114396     -0.74797091     -0.03218437
  H     -0.76153225      3.09052588     -0.29639613
  O      0.42315428      0.25696407      0.66125068
  H      0.11049041      1.95882608      3.75143932
  H     -1.74915664      3.83956900     -1.21266760
  O      3.34728997      3.21984532      1.59912062
  H     -1.04795933      2.77634543      3.08727412
  H      3.02726839     -2.27547722     -0.74137791
  O      4.29918671      2.32380094     -0.91231266
  H      2.61966989      2.43728554     -3.57562789
  H      3.14302898     -1.82726210      0.72673545
  O     -1.63845847      3.03544886     -0.71013542
  H      3.09547096      2.05668835     -2.16478035
  H      0.66901548     -0.02589543     -1.09803779
  O      3.65491048     -1.96405161     -0.07916566
  H      1.51432266     -0.69954218      1.59859527
  H      1.34173702      0.56003302     -2.38215581
  O      0.77029230     -0.14998196     -2.05391755
  H      1.65528987     -2.01692607      2.43507901
  H     -0.54411460     -0.90283275      4.31859507
  O     -1.15739983     -1.55641440      3.95744091
  H      4.79299435      0.47749571      1.79357073
  H     -0.61569722     -2.28740590      3.63515423
          69
 Ord_Energy   -248.701981    
 O  -0.662492275      0.755481184       2.29827523    
 H  -0.667742014     -0.128621072       1.90569758    
 H  -0.849391282      0.642991066       3.23813820    
 O   -2.90987110       2.20521188       1.39506543    
 H   -2.59952450       2.68023753      0.614693999    
 H   -2.15027809       1.69182849       1.70551157    
 O   -2.69248128      -1.12433040      -4.21523714    
 H   -2.97394276      -1.17296755      -5.12502337    
 H   -3.35605264      -1.60136950      -3.68781710    
 O   -6.78763390      -2.76203012       1.47914183    
 H   -7.69674683      -3.01133204       1.62542188    
 H   -6.75784922      -2.29739785      0.623879731    
 O  -0.395543516      -4.47040558       1.04990137    
 H   0.390008032      -5.00085878       1.14742696    
 H  -0.724065363      -4.61075878      0.141260102    
 O   -4.96885777      0.505228162      0.631722808    
 H   -4.33568764       1.20794690      0.831219375    
 H   -5.11244392       2.37206295E-02   1.46028423    
 O   -2.59526563      -1.99367785       3.43918371    
 H   -2.03538656      -1.93526316       2.65488195    
 H   -2.25160527      -1.34276962       4.06374836    
 O   -6.50236893      -1.35779727     -0.839607477    
 H   -5.90327597      -1.70928872      -1.50882924    
 H   -6.08397102     -0.560483932     -0.486671299    
 O   -4.82645702      -4.70431423      0.706008434    
 H   -5.50301743      -4.09680700       1.02153921    
 H   -4.15146112      -4.75957489       1.39771628    
 O   -1.74239171      0.730902791      -2.35081244    
 H   -2.06336737      0.223533183      -3.10730338    
 H  -0.917618930      0.320008129      -2.04891515    
 O   -5.16724634     -0.983438492       2.95251799    
 H   -5.76670313      -1.64774990       2.58927298    
 H   -4.32074308      -1.42248082       3.11760068    
 O   -4.34426022      -2.40920186      -2.44483638    
 H   -4.32402897      -3.36960435      -2.33923697    
 H   -3.84230447      -2.04010773      -1.70166612    
 O   -2.97023582     -0.999396384     -0.502795279    
 H   -2.56596708     -0.364439577      -1.10879517    
 H   -3.69364095     -0.534927309      -5.98770417E-02
 O   0.666899383       1.91338336       8.59497935E-02
 H   0.348684013       1.63411021      0.955554783    
 H   -2.06497591E-02   2.49095011     -0.264338315    
 O   -1.32688618      -4.67467833      -1.43017602    
 H   -1.02430642      -3.98826003      -2.04199052    
 H   -2.25103593      -4.85641623      -1.63167620    
 O   -1.69607306      0.267287225       4.88607311    
 H   -2.52027345      0.736769438       4.66135931    
 H   -1.48528731      0.489212096       5.78857231    
 O   -3.97056937       1.41549909       3.96311831    
 H   -4.54891920      0.681154132       3.71801543    
 H   -3.74643040       1.87133515       3.14223385    
 O   -2.80344391      -4.69971704       2.59145260    
 H   -1.96101582      -4.74373198       2.12229943    
 H   -2.78577042      -3.86869025       3.08149338    
 O   -1.74954581       3.13345051      -1.00687134    
 H   -1.83177090       3.88195014      -1.59261072    
 H   -1.81326449       2.33638477      -1.55975068    
 O  -0.926213741      -1.76585138       1.10779476    
 H   -1.68751752      -1.62272286      0.521460056    
 H  -0.685394168      -2.70228314       1.09095120    
 O  -0.466716081      -2.56003046      -3.00583458    
 H    5.93075994E-03  -1.88792205      -2.50042701    
 H   -1.14101958      -2.09521174      -3.51343179    
 O   0.435289502     -0.526314855      -1.16649783    
 H   0.125099495      -1.04740250     -0.417185515    
 H   0.707472384      0.327434510     -0.794565916    
 O   -4.12226105      -5.10409212      -1.83711612    
 H   -4.39430618      -4.99603987     -0.905551791    
 H   -4.48111200      -5.93488789      -2.13528728    
          69
 Energy    -248.70188361669312     
  O     14.78416352     12.41669566     -8.83204879
  H     14.89167087     12.84058065     -7.98527146
  H     15.46547893     14.49272885    -18.41842402
  O     11.66152740     10.40163506    -14.75589710
  H     15.10116062     13.04518224     -9.50735424
  H     13.04228175     13.17706525    -12.91273596
  O     16.07936454     10.18101661     -9.97001555
  H     11.58375109     10.51493611    -15.71156030
  H     12.80909869     14.51161991    -12.13739032
  O     16.88998152     13.37536528    -13.21399834
  H     11.10923124     11.08318442    -14.34175217
  H     11.04002284     12.77126446    -16.61660796
  O     12.58679868     11.62722168    -10.41475933
  H     15.34834041      9.73017934    -10.41133296
  H     10.51681751     13.27726574    -15.25844274
  O     13.84801147      9.42863647    -11.57892279
  H     15.67967714     10.90255528     -9.46674694
  H     14.62774360     11.53633865    -13.88195444
  O     13.79674458     16.05358052    -11.81469995
  H     17.30622325     12.65843032    -12.72008336
  H     13.15367189     11.42029408    -14.35045698
  O     11.60947785      8.38434561    -12.90742650
  H     16.96600639     13.12096824    -14.14728242
  H     16.56860441     13.03603786    -16.55681900
  O     13.60871772     14.18539647    -15.81816712
  H     12.51722921     12.37819194    -11.02228738
  H     16.79975252     11.62297347    -16.00806031
  O     14.18690250     11.14364059    -17.87935594
  H     13.23002852     11.88073745     -9.74222852
  H     12.48149844     11.10546320    -17.64218881
  O     10.24309597     12.42429475    -13.50027079
  H     13.42044596     10.21255060    -11.20278340
  H     11.09194136     10.75829905    -18.22854887
  O     15.34727679     13.73719628    -17.84936118
  H     13.13878276      8.90225133    -11.96669301
  H     18.68350780     10.76209413    -11.69520952
  O     12.43642866     13.64113015    -12.31553453
  H     14.32126643     16.00661422    -12.63591975
  H     17.24239169     10.74867531    -11.13102956
  O     10.93283304     13.56649343    -16.07965020
  H     13.57955577     16.97042650    -11.67484305
  H     15.07251394      9.74499287    -12.86755176
  O     13.84554586     12.05009543    -14.10715701
  H     11.23815302      7.58241744    -13.26549168
  H     16.50369018     10.33741090    -13.02696802
  O     16.99560189     12.55177042    -15.84004478
  H     11.63647609      9.03166749    -13.63362543
  H     15.92168210      9.80687940    -15.25242255
  O     11.52758323     11.08166359    -17.44484418
  H     12.65131404     14.16078713    -15.95098840
  H     16.61768887      9.07728360    -16.42348209
  O     17.78972742     11.03435647    -11.88459868
  H     13.81259456     13.41010511    -15.27257805
  H     10.52487044      9.68582385    -11.84576633
  O     15.73192907     10.02773864    -13.51717411
  H     14.79430768     10.63365358    -17.32942072
  H     10.90720689     10.86748358    -10.94607963
  O     16.08401694      9.83892935    -16.21045199
  H     14.60010079     12.00704872    -18.00370548
  H     14.67714443     15.22074269    -14.70518583
  O     10.18619879     10.51174175    -11.48322187
  H     10.91420965     12.99497021    -13.09726803
  H     15.88729671     14.90555709    -13.78920416
  O     15.25090193     15.59369747    -14.02242165
  H      9.99318734     11.79908103    -12.80375094
  H     16.03740946     13.87309143    -11.58655927
  O     15.58188033     14.10850064    -10.76938611
  H     14.69198542     13.99098283    -17.17503959
  H     14.99317643     14.83867589    -10.99610450
          69
 Ord_Energy   -248.701294    
 O   -2.51910090      -1.62838662       7.01203346    
 H   -3.22849846      -2.28158569       6.94738197    
 H   -1.79278791      -1.96986985       6.47797441    
 O   -6.47411013      -3.79266644       1.28962326    
 H   -5.87377310      -4.28037214       1.87523389    
 H   -6.45032263      -4.24157429      0.434987605    
 O   -2.58801150       1.26935995       3.69827223    
 H   -3.01454902       1.07482255       4.55552101    
 H   -2.24300551       2.15545750       3.75506759    
 O   -4.59662342      -4.94003344       2.89165139    
 H   -3.77693844      -5.07287931       2.39309907    
 H   -4.47864676      -5.36283779       3.75044537    
 O   -7.43299341      0.193274036       3.57936454    
 H   -6.58857965      0.287534177       3.11647248    
 H   -7.73944855     -0.701167822       3.38552284    
 O  -0.452080935      -2.63152981       5.24129248    
 H   0.429069757      -2.75474191       5.58474731    
 H  -0.752032459      -3.50143385       4.92068672    
 O   -2.00332332      -3.43242145      -1.90993404    
 H   -1.17243910      -3.27324772      -2.35041428    
 H   -1.93673325      -3.02227974      -1.03132439    
 O   -3.23982573      -5.82266045     -0.862441599    
 H   -2.80016565      -5.11689091      -1.35412097    
 H   -4.18472958      -5.65443468     -0.952681303    
 O   -3.79380059      0.609382093       5.98196030    
 H   -4.74082947      0.477074623       6.09876633    
 H   -3.34348392     -0.124727868       6.42487717    
 O   -1.39103234      -4.97549248       4.27777481    
 H   -1.53560054      -5.10471535       3.33157277    
 H   -2.15939760      -5.35061502       4.72448015    
 O   -6.64837694      0.275311500       6.17950773    
 H   -7.15875053      0.904010594       6.68414116    
 H   -6.96308374      0.333617419       5.25983667    
 O   -8.09313297      -2.56916547       3.19797301    
 H   -8.99132156      -2.86388969       3.05999088    
 H   -7.56171274      -2.99269652       2.50623393    
 O   -4.05408478      -2.29662585       3.70430446    
 H   -3.14061499      -2.05057669       3.50785923    
 H   -4.21057510      -3.18170667       3.35174608    
 O   -2.19822812      -5.05876303       1.55737281    
 H   -2.49273157      -5.52087736      0.758611083    
 H   -2.10719728      -4.13154173       1.29814577    
 O   -1.51296985      -1.24785554       3.06962347    
 H   -1.03441596      -1.62351370       3.82061028    
 H   -1.76732993     -0.341814816       3.29157424    
 O   -7.22547007      -2.52077436       6.00619602    
 H   -7.07466078      -1.57815289       6.15912104    
 H   -7.51148939      -2.59745979       5.08874035    
 O   -4.75714016      -2.73018169      -2.20658064    
 H   -4.83525467      -2.17526078      -1.41712534    
 H   -3.81446648      -2.91531062      -2.29938054    
 O   -4.62374544      -3.31378913       6.20895433    
 H   -5.57140636      -3.14017582       6.29880333    
 H   -4.36196613      -2.85089254       5.39810753    
 O   -2.17288256      -2.40151978      0.648235679    
 H   -1.81120753      -1.93364072       1.41271472    
 H   -3.10168028      -2.13921809      0.567605913    
 O   -6.00463295      -4.94265413      -1.23797047    
 H   -5.61708355      -4.16195583      -1.67315018    
 H   -6.55858421      -5.37115717      -1.88550138    
 O   -4.85758209      -1.65682590      0.374412507    
 H   -5.44304848      -2.34429169      0.719364643    
 H   -4.90623569     -0.913035572      0.989417672    
 O   -3.86827278      -5.80567741       5.46317577    
 H   -4.09732819      -6.48393965       6.09238338    
 H   -4.14655972      -4.95498419       5.84710169    
 O   -4.86163902       6.68620765E-02   2.52305484    
 H   -4.14346933      0.652083278       2.78848863    
 H   -4.71419287     -0.760942101       3.00934720    
          69
 Energy    -248.70096463621763     
  O     14.88656501      9.14763514    -16.46046796
  H     14.86869335      9.37421099    -15.52238814
  H     19.44878697      4.91092952    -13.59687143
  O     16.03132452      3.08736517    -17.57430241
  H     14.26249002      8.42332536    -16.57219455
  H     19.52941844      8.07061661    -15.26818356
  O     15.74306637      5.26665933    -11.56221715
  H     16.98710663      2.97210830    -17.51753136
  H     18.33649698      8.82841113    -15.95596353
  O     20.96928205      6.91798832    -15.51284839
  H     15.89147210      4.03137650    -17.73357907
  H     17.59359623      6.97344467    -15.20403656
  O     19.77436105      5.67543338    -17.60092047
  H     16.58136359      5.67129013    -11.30661386
  H     16.25076346      6.43835484    -14.63246884
  O     12.98848431      4.25369784    -12.09588043
  H     15.38671347      5.84993164    -12.25070710
  H     12.93354696      6.24210366    -16.15417359
  O     14.62704218      3.02992518    -15.23516113
  H     20.57745929      6.45626306    -16.27625437
  H     12.33867069      6.95102910    -17.38800045
  O     14.82045241      6.79377598    -13.62213867
  H     21.85909185      7.15263230    -15.76177863
  H     13.87677857      1.96990500    -13.92371580
  O     18.24867484      3.86381889    -14.57958466
  H     19.48357447      4.75862396    -17.52890087
  H     13.32503048      0.75906337    -13.13993929
  O     17.35807173      8.98732076    -12.75190876
  H     19.14167294      6.12114582    -18.17695954
  H     14.81383779      6.19331752    -17.51539165
  O     18.85941737      3.01695354    -17.08748266
  H     13.79535480      4.57916759    -11.68142210
  H     16.18141078      6.00425770    -16.80526018
  O     19.90549854      5.64718518    -13.16920836
  H     13.13645686      3.31243617    -12.25289205
  H     18.83313434      6.30300310    -11.94101697
  O     18.66137820      8.46128933    -15.11832341
  H     15.31234481      3.15512293    -14.56599877
  H     18.71963085      6.78735470    -10.48099257
  O     16.98723547      6.22124858    -15.22005151
  H     15.07655967      2.94991477    -16.08860642
  H     15.57721458      2.30416069    -12.70599946
  O     13.14917645      6.82519907    -16.89956450
  H     14.06392086      6.35194788    -14.02525869
  H     16.11445189      3.72386724    -12.38129902
  O     13.71955887      1.62047872    -13.03043283
  H     14.67304382      7.74766168    -13.60771647
  H     16.95709426      6.53426593    -18.71621725
  O     15.71221153      5.86985669    -17.64424886
  H     17.81078586      4.69636903    -14.82234611
  H     17.56678566      6.86594341    -20.09825302
  O     18.20977415      6.64137071    -11.27437066
  H     17.67155034      3.41159640    -13.95018475
  H     12.69487064      4.91285327    -13.80771332
  O     16.28011025      2.92863357    -12.91162434
  H     17.88957197      8.89578087    -13.55749561
  H     13.45874063      4.41381824    -15.04434802
  O     17.73278024      6.91700386    -19.16026014
  H     17.59687717      8.24201336    -12.19081642
  H     14.50406441     10.29888318    -13.15364591
  O     12.88494441      5.13014410    -14.73205383
  H     19.43346550      2.25497892    -17.08944027
  H     15.77961169      9.42791117    -13.27464004
  O     14.87594668      9.55599880    -13.62019337
  H     18.69529706      3.24274753    -16.15450080
  H     17.59787115      8.55255850    -18.11763988
  O     17.50085069      9.23000894    -17.44026784
  H     20.35973402      6.11249202    -13.88128219
  H     16.56588961      9.23857682    -17.18386103
          69
 Energy    -248.70093331278571     
  O     10.07477055     12.98521285    -12.49185088
  H     10.26632175     12.44988083    -13.27261329
  H     12.62564527     12.22231393    -14.33342349
  O     13.51557885      7.09379061    -16.64930253
  H      9.76632079     12.38624644    -11.80365289
  H     14.64775596      8.17562992    -12.32447740
  O     11.27249528      9.54330546    -11.00819070
  H     12.57545419      7.33850434    -16.57580783
  H     14.44898867      9.47707111    -11.53417041
  O     14.22058905      8.14411345    -14.12739615
  H     13.55153034      6.27494031    -17.13548939
  H     13.33545776     14.70479927    -12.17845119
  O     14.01533642      9.85964845    -17.26842729
  H     11.75838271      9.09493258    -10.30453446
  H     13.94480509     15.76944221    -13.12313399
  O     11.53798368      8.90399007    -13.67910053
  H     10.61610515     10.12667019    -10.60680715
  H     13.77663556      8.33092225     -9.96776038
  O     13.45088210     11.05795431     -8.15310446
  H     14.67115452      8.96398104    -14.38226309
  H     13.23026160      7.57493345     -8.73524655
  O     13.58496059     11.05704171    -11.64012171
  H     14.07622083      7.64361494    -14.93904648
  H     17.14948169     12.21503056    -12.90521919
  O     11.51904718     12.88088686     -8.62422442
  H     13.96603070      8.89966694    -17.18208993
  H     18.43258075     11.69541043    -13.59252309
  O     16.37636741     13.49608480    -12.00625779
  H     14.60159040     10.15750268    -16.56067664
  H     11.16253882     10.56478955    -14.29988402
  O      9.57246605     11.50115964    -10.01906875
  H     11.36091507      9.00457643    -12.73463779
  H     11.03730190     11.32546131    -15.63644053
  O     13.54559480     12.38955894    -14.08899129
  H     12.46815502      8.65691067    -13.77296284
  H     14.77455689     11.70563857    -10.45129140
  O     14.75885302      8.56108636    -11.44614118
  H     13.36641275     10.13439617     -8.41325227
  H     16.18820669     11.24563763    -10.02819518
  O     14.01166390     14.85435475    -12.86529546
  H     14.26324954     11.38104817     -8.56968699
  H     16.20954955     10.77489183    -14.44224597
  O     13.14048360      8.38321099     -9.23371732
  H     12.70703317     10.69920923    -11.46404113
  H     14.75012790     11.23440587    -14.66359672
  O     17.55022268     11.43853093    -13.33662219
  H     13.55241238     11.53919002    -12.47502136
  H     12.37462708     10.47788336    -17.35659814
  O     11.00976558     11.44336589    -14.67863243
  H     11.50007762     13.47776761     -7.88034336
  H     11.23665575     11.07731661    -18.21547166
  O     15.49869780     11.89829291     -9.83364299
  H     12.21174341     12.22319505     -8.43441198
  H     17.39238938     10.35418342    -11.73202470
  O     15.38995913     10.54334402    -14.89503509
  H     15.62402585     14.02524634    -12.29510161
  H     16.49334432      9.29967341    -11.06156600
  O     11.42879589     10.71127613    -17.35643599
  H     16.13265637     13.12137782    -11.14958404
  H     12.01140039     13.87304400    -10.25927552
  O     17.18234044      9.95150896    -10.88026637
  H      8.73158413     11.55394713     -9.57163422
  H     11.34469925     13.92642835    -11.64753726
  O     12.06269473     14.30496320    -11.11629022
  H     10.20326554     12.02508011     -9.49766086
  H     10.97593588      8.91714129    -16.74528976
  O     10.99420257      8.05864932    -16.30472586
  H     13.64369996     13.30429054    -13.79735344
  H     11.00050839      8.25432829    -15.35709177
          69
 Energy    -248.70084963987722     
  O     10.80799202      8.39561410    -13.48144860
  H     11.39749995      7.80470529    -12.97754814
  H     18.69962122     11.46403151    -14.12296015
  O     17.37278819      8.27207308    -13.94266749
  H      9.92078523      8.06842724    -13.36360550
  H     13.18569361     12.19128478    -15.51000477
  O     16.65632669     11.88404607    -11.49653819
  H     17.94847736      8.93193349    -13.53398084
  H     11.73507342     12.33284211    -16.01839711
  O     14.76462977     12.88201763    -15.54557851
  H     16.50063687      8.69185089    -14.01600614
  H     14.15056447      9.34081692    -14.52855503
  O     14.14459380      6.84352525    -16.34357698
  H     15.77221525     11.48676152    -11.49795986
  H     14.75249425     10.01470814    -13.26838157
  O     16.07633154      8.48656601     -8.36308010
  H     16.62790798     12.62701097    -12.11065388
  H     13.15087885      7.22302544    -11.56435680
  O     16.33468254      6.48814076    -12.17148219
  H     15.35095651     12.25918763    -15.99777073
  H     13.13138706      6.27242095    -12.78218280
  O     14.25009569     10.59536746    -11.63329340
  H     15.29197916     13.27042493    -14.83832151
  H     20.59453998      8.85408946    -10.00174764
  O     17.99082770      7.02193594     -9.93805024
  H     13.87197289      6.53437141    -17.20513024
  H     19.16791905      8.29282176    -10.21073036
  O     16.39311087     10.73583652    -16.24161737
  H     13.58304788      7.60933546    -16.13688708
  H     14.31111552      4.46597636    -14.16883423
  O     16.84048528      8.01549903    -16.71344920
  H     15.92627420      8.52304049     -7.42259339
  H     14.34332279      5.87929144    -14.78591339
  O     18.40613848     12.09366367    -14.79437506
  H     16.56629086      9.29449715     -8.60174969
  H     17.00091454     14.69063002    -13.57239122
  O     12.31289245     11.75912950    -15.52204985
  H     15.72656130      5.97867813    -12.71724599
  H     17.35432811     13.26122370    -14.04847389
  O     14.97809194      9.60678436    -14.11383141
  H     16.80803503      7.07360746    -12.78357769
  H     19.17979173      9.91488276    -11.88813316
  O     12.56845468      6.81840919    -12.22152467
  H     14.26585079      9.71516241    -11.23293280
  H     17.97618527     10.83015737    -12.22788953
  O     19.72540744      9.08404720    -10.31856972
  H     13.34567662     10.79575808    -11.91515417
  H     17.25976035     11.16993111     -9.87441106
  O     14.37307110      5.39300673    -13.94771475
  H     17.48245045      6.68391840    -10.68657799
  H     18.39660526     10.20449092     -9.47628243
  O     16.67656115     13.79394017    -13.59242172
  H     17.34527375      7.37829392     -9.31513895
  H     14.95166020      8.15169291     -9.77996151
  O     18.69577752     10.31409550    -12.62099504
  H     15.89190162     10.47758761    -15.45284932
  H     15.19166323      7.53137079    -11.17902838
  O     17.57427282     10.59916916     -9.16080454
  H     16.63001045      9.89676523    -16.65596984
  H     11.93550925     11.36846129    -13.66942202
  O     14.54434861      8.01383132    -10.64451710
  H     15.97834343      7.59464522    -16.63140227
  H     11.35834403     10.14939537    -12.93141353
  O     11.79960932     10.99570263    -12.78951153
  H     17.22056043      7.98615465    -15.82382111
  H     11.93531086      8.72144062    -14.88537447
  O     12.60915319      8.97312409    -15.53232601
  H     17.84011072     11.59830576    -15.40199129
  H     12.50411878      9.92244557    -15.68333100
          69
 Energy    -248.70036054683197     
  O     -1.56272180      4.54613816      5.06826267
  H     -1.31819766      4.40948923      4.14257942
  H     -2.62024773      3.17876265     -0.52120702
  O      0.29259580      1.51271370     -0.20460439
  H     -1.14068263      3.82826600      5.55755004
  H     -4.62961546      4.84120431      5.85195129
  O     -1.15985612     -0.73747869      3.21097413
  H     -0.50329810      1.91777428     -0.56648878
  H     -3.27274590      4.39443457      5.25349285
  O     -3.37959165     -2.41391433     -1.61556571
  H      0.08481065      0.58192194     -0.04478727
  H     -2.39561043      4.30478333      1.29470018
  O     -0.61445312     -1.04547157      0.51992167
  H     -1.62001931      0.10330349      3.05297041
  H     -3.87740008      3.89695847      1.36389050
  O     -4.74448884     -0.67611781      5.53459949
  H     -1.86084685     -1.36882960      3.41439311
  H     -4.66952699      3.48375566      3.67696308
  O     -6.04813429      0.65581264      3.31431600
  H     -2.58471153     -2.85920923     -1.29279334
  H     -5.35199917      2.26485176      2.98526318
  O     -0.55308271      2.19655331      6.30430935
  H     -3.29933493     -1.49482855     -1.33613248
  H     -0.05915528      3.53977651      2.29228187
  O     -3.01612071      0.09898197     -0.18384829
  H     -0.68117646     -1.97071609      0.25392710
  H     -1.46950106      2.94190022      2.44983350
  O     -5.03925129     -1.09276285      1.35211550
  H     -0.69080604     -1.01197639      1.48519551
  H     -2.73915157      1.10247597      1.50336192
  O     -3.14232227     -4.21427155      1.61362881
  H     -4.19582879      0.09947650      5.75144511
  H     -3.34047259      1.94325161      2.65077532
  O     -2.25572431      2.55699699     -1.17635075
  H     -5.19695988     -0.92245648      6.33694603
  H     -4.03629259     -1.77130595      2.75245908
  O     -4.21312881      4.15285768      5.34110215
  H     -5.84137274      0.05686622      2.58434155
  H     -3.92495027     -1.76895342      4.28701343
  O     -3.19345358      4.20797670      0.75616969
  H     -5.70669374      0.22355632      4.10582371
  H      1.13314220      2.18683469      1.15563338
  O     -4.77415464      3.02857246      2.83168205
  H     -0.02748363      2.09946283      7.09395279
  H      2.39121815      2.86454122      1.74847274
  O     -0.98064639      3.77886297      2.44427624
  H     -0.05258415      1.77365961      5.58453662
  H      1.07254122      1.49626035      3.49301157
  O     -2.55088399      1.45387034      2.37941465
  H     -2.16756887     -0.31813118      0.03472639
  H      0.22230456      0.27552007      3.93381227
  O     -3.54538230     -2.16158781      3.49033260
  H     -2.83307342      0.92582134     -0.65058609
  H     -2.37031261      1.68530671      6.18340243
  O      1.51320684      2.56531571      1.96867109
  H     -5.31013206     -1.89591490      0.89048164
  H     -3.70667715      2.39750734      5.89259579
  O      0.76431455      1.00486814      4.26350116
  H     -4.40912940     -0.63727804      0.77813258
  H     -6.04890018     -3.93899223     -0.56730692
  O     -3.31870815      1.53667896      6.08947019
  H     -3.97097092     -4.12836028      1.12619117
  H     -4.71825582     -3.16327283     -0.73289804
  O     -5.35823406     -3.49846910     -0.07993486
  H     -3.22962770     -3.64384791      2.38909959
  H     -1.85451105     -3.91437460      0.48502608
  O     -1.22077869     -3.66717412     -0.21302885
  H     -2.32217956      2.98456324     -2.02609075
  H     -0.70235222     -4.44364756     -0.40522952
          69
 Ord_Energy   -248.699951    
 O   -8.91325760       1.01216412       3.39027286    
 H   -8.83228302      0.167651594       3.84740114    
 H   -8.37323380       1.65343547       3.88170195    
 O   -9.65031528       3.27133727       1.96768761    
 H   -9.80207634       2.94890809       1.07072699    
 H   -9.59625721       2.49419737       2.54012632    
 O   -8.33741093      -1.54417515       4.42456293    
 H   -8.04475021      -1.86182952       3.55127072    
 H   -8.84174347      -2.24948406       4.82077265    
 O   -3.97833562      0.856439650       1.57647491    
 H   -4.71779060       1.05501461      0.982542872    
 H   -3.30776811       1.53061914       1.41522813    
 O   -5.31298399       5.55487871       2.97990608    
 H   -6.03983116       5.81115484       3.56343102    
 H   -5.24938774       6.19148779       2.25695491    
 O   -7.39260149      -2.15528464       1.94585431    
 H   -7.73792791      -1.45373929       1.37779069    
 H   -6.43431759      -2.04130197       1.97980428    
 O   -3.92255068       4.77062988     -0.471200347    
 H   -4.40814352       4.21937799      -1.09592962    
 H   -3.36965299       4.18063211       5.51330112E-02
 O   -6.82783127       3.70556831       1.48575306    
 H   -7.68573093       3.55009627       1.90000296    
 H   -6.27744818       4.21579981       2.09298277    
 O   -2.30761790       3.09390092       1.20772636    
 H   -2.56545258       3.41806364       2.09108090    
 H   -1.35642266       3.14602637       1.16397178    
 O   -7.40066338       2.91109776       4.58957243    
 H   -6.48276854       2.62934899       4.46898842    
 H   -7.40888309       3.86868930       4.67593384    
 O   -8.40826035      0.199892417      0.757058501    
 H   -8.96743298      0.754154146      0.198564097    
 H   -8.55988884      0.487155586       1.67095959    
 O   -8.16413975       3.98790193      -1.85261655    
 H   -7.26656103       3.71861243      -2.07915688    
 H   -8.07213116       4.80570889      -1.34528041    
 O   -5.58628559     -0.828335702       4.92686749    
 H   -6.52641296      -1.04331279       4.90932226    
 H   -5.21197653      -1.24445915       4.14039707    
 O   -4.59406900      -1.70848465       2.35293317    
 H   -3.86542654      -2.30697966       2.20662904    
 H   -4.29493475     -0.830766737       2.06370115    
 O   -5.02231789       7.01002216      0.572754443    
 H   -4.59309816       6.23344326      0.167263210    
 H   -4.50543499       7.77163029      0.325690866    
 O   -3.20556903       3.87907243       3.61696625    
 H   -3.87487578       4.55987024       3.45713186    
 H   -3.68420553       3.14077163       4.01757240    
 O   -9.23993492       5.97835016       2.39799809    
 H   -8.79974270       6.18652058       1.56498134    
 H   -9.56533337       5.07141399       2.29790521    
 O   -7.58599854       5.83223104       4.53501797    
 H   -7.91746521       6.33222771       5.27571058    
 H   -8.22801876       5.94042921       3.81028748    
 O   -7.60320187       5.97305441       4.54393215E-02
 H   -6.81281137       6.52256346       9.93361697E-02
 H   -7.35445786       5.14078140      0.478285760    
 O   -5.46364498       3.02544570      -2.15010285    
 H   -5.67199564       2.39518595      -1.43831801    
 H   -5.14117622       2.51307034      -2.88754368    
 O   -4.89615726       1.72377932       4.15827513    
 H   -5.11429071      0.889253795       4.59835911    
 H   -4.64705849       1.48284304       3.25752664    
 O   -9.83200550       2.20011640     -0.660137415    
 H   -9.23750210       2.81827521      -1.12062156    
 H   -10.6333065       2.15797806      -1.17589200    
 O   -6.12056351       1.55067635       3.63905393E-02
 H   -6.85950994      0.951526582      0.200251788    
 H   -6.31900263       2.36004615      0.537830770    
          69
 Energy    -248.69978583477433     
  O      0.24007254     -0.87343583      5.72385640
  H      0.56127713     -0.88063527      6.62235739
  H     -2.50303155      2.44339991      0.10948219
  O      3.34794164      0.30340166     -1.53021799
  H     -0.27094529     -0.05044803      5.61988019
  H     -3.29433911     -1.52990822      4.81858488
  O     -2.03313202     -2.63537705      5.33892538
  H      3.37125693     -0.65815823     -1.45009574
  H     -3.90123665     -0.07964146      4.84062359
  O      0.67486977      0.64819637     -0.70818023
  H      2.41351374      0.54071011     -1.45090962
  H      0.07964752      2.00115748      2.34231857
  O      3.16668102     -2.46777467     -0.76868217
  H     -1.97834265     -3.26116955      4.60618409
  H     -1.36051735      2.56906593      2.04022643
  O      3.94177191     -1.46091975      1.64307432
  H     -1.19000737     -2.16983257      5.39526078
  H     -2.34773347      0.40896494     -0.99599126
  O     -4.62235030      1.90193675      2.62221088
  H      0.97709527      0.90126929      0.17427644
  H     -1.05055012      1.21758618     -1.06654466
  O     -3.95879806     -3.05117834      1.30315343
  H      0.53461220     -0.30947059     -0.68021007
  H     -2.57693752     -0.58287581      2.99040308
  O     -1.16936098      1.40870461      5.34473273
  H      3.45788525     -2.18142485      0.11566969
  H     -1.53832139      0.43968391      2.44968136
  O      4.29925557      1.27403546      0.82574963
  H      3.71888129     -3.20535347     -1.01420005
  H      0.22387889     -2.38063425      0.40644448
  O     -5.57651485     -0.86519585      2.25496149
  H      3.27934010     -1.41073250      2.34462764
  H      1.29491748     -2.34584232     -0.70980079
  O     -2.70855626      3.05430142      0.84023480
  H      4.20662458     -0.54988933      1.46570793
  H      1.14368274     -1.71207121      2.90565422
  O     -3.87693299     -0.91202223      4.35365932
  H     -4.01563390      2.26931545      1.96787194
  H      1.35052899     -0.96979693      4.23438887
  O     -0.81405882      2.11623059      2.69402605
  H     -4.94008624      1.06047242      2.27671468
  H     -4.22199813      1.88970074      4.33033515
  O     -2.01372887      1.31017489     -1.08039735
  H     -3.46474298     -2.62707222      0.58823910
  H     -4.60313149      2.25098101      5.78623319
  O     -1.90669475     -0.44132465      2.31155565
  H     -4.60887130     -2.39348275      1.57556893
  H      2.58554919      1.43477308      1.57332256
  O      0.37413398     -2.12923513     -0.51720372
  H     -0.97160905      1.76451784      4.46648679
  H      1.68320279      0.47897862      2.39361573
  O      1.72840862     -1.08278664      3.35366557
  H     -2.11159065      1.56688634      5.47082881
  H     -2.87977776     -3.88987407      2.41254031
  O     -3.99375155      1.73551662      5.26524747
  H      5.04641148      1.85740505      0.72765533
  H     -2.41101811     -5.24181947      2.99668411
  O      1.67338932      1.27781519      1.84613609
  H      4.04068445      0.99160568     -0.07016291
  H     -0.77687693     -1.80382768      2.24325884
  O     -2.21529534     -4.30879495      2.98872356
  H     -5.05089804     -0.94853356      3.07149788
  H     -0.75657324     -3.33758880      2.40128125
  O     -0.20980578     -2.58633455      2.14407503
  H     -6.49045034     -0.98040247      2.50579106
  H     -1.51087150     -1.73640127     -0.56538499
  O     -2.37575379     -1.39262603     -0.30757475
  H     -2.86899867      3.90806588      0.44724099
  H     -2.26188241     -0.99791344      0.57182990
          69
 Energy    -248.69944960309275     
  O      4.58238977      9.56446406      1.42860243
  H      4.41570191      8.75369049      1.92075755
  H      0.71397357      4.65279837      0.82025836
  O      1.87552213     10.30095151     -1.74786512
  H      4.13471321     10.26612312      1.91772927
  H     -1.45090789      8.91804045     -1.09982113
  O      1.39743358      8.15446470      1.24309184
  H      1.66213052     10.63456711     -0.86432239
  H     -2.01545081      7.91994780     -0.06314769
  O      3.04701489     11.46741413      2.89532742
  H      2.76444373      9.93369232     -1.68526560
  H      2.84148215      6.65390432     -1.53581520
  O      3.54536766      7.07514470      2.52374267
  H      1.32232825      7.79228619      0.34993374
  H      4.18279440      7.37871754     -1.62538810
  O     -2.06083987      6.04701025      0.45043579
  H      1.35516414      9.11539956      1.16409908
  H     -2.23785793     11.57544611      1.29302506
  O     -0.88931062      9.66773572      3.90768377
  H      3.34352123     12.25311217      3.34544316
  H     -1.72430000     10.18848750      0.84097309
  O      3.63299792      2.94546255      0.96996780
  H      2.60966534     10.90603033      3.56355238
  H      0.68112896      6.17829191     -0.93390739
  O      1.20541275     10.92889455      0.87061098
  H      4.10489556      6.57014286      1.91121300
  H      0.53758893      7.50538491     -1.78247860
  O      2.46987782      3.82496979     -1.48392905
  H      2.81579170      7.49422162      2.03750918
  H      3.12470828      7.16481090      4.25292313
  O     -0.73865156      7.12665948      2.72999394
  H     -1.31651042      5.45817745      0.24459986
  H      3.47619540      7.07371283      5.75508083
  O      0.25827143      4.62526863     -0.03286804
  H     -2.85121545      5.51457491      0.39493323
  H      0.81761565      9.83590818      4.44880804
  O     -1.94051226      8.85801228     -0.26961960
  H     -0.97568870      8.74669543      3.62723286
  H      2.04915757      9.00615885      4.90429411
  O      3.79390110      6.49523190     -1.62377583
  H     -1.17501986     10.18707306      3.14730941
  H      4.55554088      9.35927770     -0.32444412
  O     -1.53446669     10.94522616      1.42430602
  H      3.80599799      2.12004556      1.41514432
  H      5.28326799      9.67060822     -1.64816419
  O      1.12958005      6.97886993     -1.23274033
  H      2.97963157      3.42323736      1.50850353
  H      0.48184587      9.48104339     -2.34300766
  O      2.75727802      7.24080864      5.14997634
  H      1.77875919     11.25646830      1.57516317
  H     -0.49398424      9.12874181     -3.49507745
  O      1.77086773      9.88163893      4.61687700
  H      0.28359369     11.06974615      1.12293538
  H      1.25326336      6.02624734      4.91516912
  O      4.51622226      9.23133756     -1.28826248
  H      2.94099340      3.39762505     -0.75619545
  H      0.00908479      6.02166883      4.00878353
  O     -0.29724001      8.94361595     -2.58130591
  H      3.00793925      4.58513200     -1.73104887
  H      2.47394720      5.41002311      2.26598485
  O      0.58917772      5.44389915      4.52628977
  H     -1.32496235      6.75042911      2.06546577
  H      1.38273763      4.72967229      3.09960588
  O      1.89032732      4.64370053      2.27904068
  H      0.01161597      7.50297685      2.24507078
  H      4.65327969      4.59102925      0.80689871
  O      4.85895994      5.53126985      0.76200603
  H      0.89147366      4.22768072     -0.64968251
  H      4.55526377      5.83589902     -0.10557439
          69
 Energy    -248.69929787955203     
  O     15.39421332     10.20758778    -15.64513261
  H     15.18448411     11.13911235    -15.64137417
  H     19.72340061      7.00886881    -15.47118090
  O     14.87368735      3.58562168    -16.41761463
  H     16.33796597     10.13150490    -15.40691506
  H     17.82551514      7.44390970    -16.34392995
  O     16.88362296      7.26221633    -11.67592481
  H     15.77457235      3.40544908    -16.70623513
  H     18.66123673      7.11898364    -17.59255093
  O     18.23704309      5.76968822    -18.70095824
  H     14.61546021      4.39966957    -16.87438118
  H     16.03462807      7.20501507    -14.83151978
  O     12.26050931      6.62788076    -11.08236581
  H     17.73973717      7.65220809    -11.88551843
  H     15.76959112      6.45305909    -16.17713297
  O     14.23733962      4.41865273    -13.88110040
  H     16.25605473      7.67624298    -12.28912465
  H     12.90109814      7.79938137    -15.43178375
  O     15.20444392      8.29005458    -13.55161886
  H     17.43347129      6.04395164    -19.15893020
  H     13.77491775      8.91256687    -16.05987167
  O     17.99422995      4.58637740    -14.64254924
  H     18.02899972      4.94353131    -18.24696819
  H     14.25684240      3.63243936    -10.52122555
  O     12.83756794      3.82926568    -11.52732554
  H     13.13673961      6.66590863    -10.65868399
  H     15.10301950      2.96512809     -9.40914378
  O     17.99229540      9.80517480    -14.99451589
  H     11.64330954      7.02353505    -10.47283491
  H     13.91397219      6.85046577    -17.15603861
  O     17.69498507      3.42153507    -17.11051248
  H     14.42966813      4.03238800    -14.74757185
  H     14.85957110      6.37687983    -18.30760004
  O     19.93252911      6.63252363    -14.60829278
  H     15.06911777      4.47118750    -13.39421157
  H     19.97641591      8.81833095    -12.30261786
  O     18.57100866      7.76806502    -16.87832964
  H     14.34730205      7.84060439    -13.59656971
  H     19.52613170      7.78561615    -13.36177698
  O     16.44737918      6.68082084    -15.52634094
  H     15.17380683      9.05389320    -14.13640284
  H     16.74318560      5.47400089    -12.05043125
  O     13.14339451      8.21925754    -16.27020322
  H     17.63681877      4.36235497    -13.77384403
  H     16.20388411      4.13353928    -11.48844809
  O     15.10219277      3.68040566    -10.03877234
  H     17.42959092      5.30539810    -14.97123705
  H     14.91819576      5.58610039     -9.82758550
  O     14.49252403      6.13197503    -17.44969960
  H     12.45910393      4.69886341    -11.35140239
  H     15.52279005      6.88093301    -10.40217793
  O     19.20691860      8.46850260    -12.74490885
  H     13.20398826      3.88324100    -12.42189294
  H     16.02351228      7.85904672    -19.29513695
  O     16.58932855      4.54392566    -12.27172304
  H     18.39149449      9.25761362    -15.68271064
  H     15.59469039      7.22441543    -20.64036925
  O     14.74337156      6.52705406     -9.95580517
  H     18.34024889      9.46872647    -14.15999277
  H     13.32561490      5.97679295    -13.92452342
  O     15.83716155      7.01462051    -19.74234668
  H     17.89075561      3.73384767    -16.21100252
  H     12.53588691      6.84120335    -12.90862484
  O     12.90433471      6.84184418    -13.80130241
  H     18.17186491      2.60240983    -17.22394004
  H     17.30550419      8.83082470    -17.85861851
  O     16.49293748      9.19462633    -18.23489561
  H     19.41695735      5.81663238    -14.55308400
  H     16.00184972      9.55343336    -17.49022098
          69
 Ord_Energy   -248.699188    
 O  -0.662029326      -2.48368263      -2.10692072    
 H  -0.323451549      -3.14871001      -2.70129967    
 H   -3.87813486E-02  -2.43729401      -1.36099744    
 O    1.21513355      0.572993934       6.06994890E-02
 H   0.284839809      0.651329696      0.325451255    
 H    1.75930107      0.957151830      0.758670688    
 O   -3.28195977      -1.20891821       4.19091320    
 H   -2.74061966      -1.93974125       4.51670313    
 H   -3.07380104     -0.460521758       4.76522493    
 O   -3.13098145       2.44841075       2.01700282    
 H   -3.81983280       1.76902688       2.09078646    
 H   -3.31942654       2.99168038       1.24329555    
 O   0.307738394      -2.37262034       2.75776505    
 H   0.593066454      -1.49881458       3.06250548    
 H  -0.536797583      -2.22716522       2.29989505    
 O   -1.22929049      -3.10350180       4.94185734    
 H  -0.629621148      -2.97134757       4.18834019    
 H   -1.20892251      -4.03492212       5.14677811    
 O    2.64691091       1.74157465       2.17028141    
 H    2.01280904       2.48462152       2.19378519    
 H    3.51502180       2.10946989       2.30451512    
 O    1.06955516      -2.21506214      -2.66250595E-02
 H    1.24553859      -1.26345730      -3.37272696E-02
 H   0.964497626      -2.45061994      0.901270270    
 O   -2.11856890      -1.72468305       1.71095717    
 H   -1.90064585     -0.884177983       1.28120112    
 H   -2.58325577      -1.51090884       2.52960801    
 O   -3.46054244       1.15583158      -1.51430595    
 H   -4.07334948      0.472964823      -1.21590567    
 H   -2.84889674      0.769460440      -2.16111088    
 O   -1.51850271      0.687061787      0.535514891    
 H   -2.03826284      0.740993500     -0.275706261    
 H   -1.92254901       1.32679296       1.13548064    
 O   -3.37412167       3.67287040     -0.505591512    
 H   -3.97180629       4.26543045     -0.953270495    
 H   -3.45670128       2.80499959     -0.939676344    
 O   0.845249057      0.211323306       3.70092869    
 H   0.119843639      0.852406383       3.68373227    
 H    1.59643793      0.651082456       3.28607059    
 O  -0.145957336     -0.754777074       6.16894007    
 H  -0.456924617      -1.63131332       5.91035843    
 H   0.370167047     -0.428015977       5.41875553    
 O  -0.507573247       3.85606027     -0.284825265    
 H   -1.46525836       3.88454676     -0.393156290    
 H  -0.176149264       3.29575968     -0.995136201    
 O   0.641130269       1.96657777      -2.21521521    
 H   0.967136443       1.45992625      -1.45164573    
 H    1.40879071       2.24274325      -2.71029305    
 O   -1.16237640       2.17387938       3.85317516    
 H   -1.89430487       2.35365438       3.24327278    
 H   -1.57070053       1.85293293       4.66566515    
 O   -2.35783720      0.801585793       6.00553942    
 H   -2.70610857       1.08849835       6.84531879    
 H   -1.56177151      0.271720499       6.19203901    
 O   -1.42464805      0.132214233      -2.94489551    
 H   -1.11827362     -0.750328183      -2.70197797    
 H  -0.688414633      0.740126193      -2.80162454    
 O   -3.11115575      -2.71991777     -0.655039549    
 H   -2.34552145      -2.70014119      -1.24039209    
 H   -2.76317215      -2.53941774      0.231248230    
 O   -5.06749105     -0.880251944     -0.417924196    
 H   -4.41377020      -1.59037507     -0.550019145    
 H   -5.90558243      -1.21848071     -0.722543359    
 O   0.711309195       3.57259178       2.20893550    
 H    4.43753488E-02   3.26422262       2.83386636    
 H   0.267590284       3.73322773       1.36304545    
 O   -4.83653402      0.318717211       2.21310997    
 H   -4.52376413     -0.303007096       2.87929058    
 H   -4.92949152     -0.169101104       1.38536763    
          69
 Energy    -248.69917982275723     
  O      1.00366569     -0.90689735      5.53153328
  H      1.49314338     -0.95069227      6.34951811
  H     -3.39830874      0.47884504      5.23715558
  O     -1.61238661     -2.15629428      5.65918596
  H      0.55550653     -0.04141537      5.52650688
  H      0.66005321      1.90059325      2.30004448
  O      0.44615135      0.35117385     -0.81508017
  H     -1.71314472     -2.92420153      5.08317370
  H     -0.58755578      2.85511601      2.24933587
  O      2.60877761     -2.33775453      0.15022423
  H     -0.70115975     -1.85173004      5.57555792
  H     -2.42565307      1.48388030     -0.58783631
  O     -3.65923432      2.99870819      3.20108483
  H      0.14787599     -0.56664241     -0.76466838
  H     -0.94831941      1.62169704     -0.96047159
  O     -3.93859108     -3.26653076      1.97059917
  H      0.77601653      0.57661210      0.06643026
  H     -2.46778324     -0.07153783      3.30159668
  O     -0.27736799      1.47784234      5.43272610
  H      2.58341663     -2.15511188      1.09672734
  H     -1.32193434      0.75313777      2.63566927
  O      3.21996044      0.24746073     -1.00271307
  H      2.99738317     -1.55385446     -0.25631925
  H     -0.35137973     -2.43863853      0.51113455
  O     -5.28512589      1.19248240      1.84661522
  H     -4.28393654      2.42196806      2.73671815
  H      0.83795531     -2.52459790     -0.44329706
  O     -5.53078439     -1.29565388      3.27063449
  H     -3.06472770      3.35659740      2.53420014
  H      1.06264735     -1.82801841      2.61929884
  O     -1.72061860      3.89334646      1.24269914
  H     -3.64275737     -3.01710253      1.08852941
  H      1.78455621     -1.23597169      3.82619712
  O     -3.49548225     -0.38576390      4.81970889
  H     -4.53096730     -2.57319140      2.28831889
  H     -3.24983765      2.55670136      4.80524463
  O     -0.14597700      2.16706171      2.76263394
  H     -0.14594785      1.82409875      4.53821043
  H     -3.44714304      2.80024964      6.32122262
  O     -1.74885060      2.13903987     -0.80985150
  H     -1.17622903      1.73088387      5.67015800
  H      2.65573490      0.88641870      0.81186445
  O     -1.89577687     -0.01576711      2.52572668
  H      3.67212351      0.61817624     -1.75623405
  H      2.00254564      0.14748925      2.01188952
  O     -0.12022650     -2.39465700     -0.43157465
  H      2.26868695      0.31141956     -1.19001807
  H     -2.81572942     -3.91392561      3.11530138
  O      1.89857525     -1.41444071      2.88439233
  H     -5.52529987      0.39001381      2.32377257
  H     -2.13354596     -5.14129473      3.76946325
  O     -3.03280158      2.21523462      5.69342634
  H     -4.74002240      0.88229191      1.11090646
  H     -1.07252642     -1.55974815      2.37631534
  O      1.97531305      0.96399574      1.48846876
  H     -4.84425747     -0.98276074      3.88636856
  H     -1.01467282     -3.08026777      2.73236192
  O     -2.09051718     -4.19134493      3.70522187
  H     -6.28264527     -1.54460388      3.80281022
  H     -1.90592842     -2.57672990     -0.70636161
  O     -0.57835428     -2.38173815      2.23257609
  H     -1.70702901      4.79099322      0.92239590
  H     -3.16996437     -3.05093040     -1.45297886
  O     -2.87632448     -2.58418643     -0.67374825
  H     -1.75422801      3.31558675      0.45904365
  H     -3.27990530     -0.79529207     -0.23110492
  O     -3.34474750      0.08316072      0.15799397
  H     -2.85559592     -0.99611657      5.21812255
  H     -2.84358278      0.05315503      0.98851524
          69
 Energy    -248.69895506964957     
  O     19.65532130      8.77717432    -14.02476294
  H     19.70846038      9.42719164    -13.31397699
  H     21.90883987      6.69456333    -14.97413402
  O     21.30800504      6.41958174    -11.47627602
  H     18.92402345      9.03173490    -14.60952274
  H     18.88726363      4.10062957    -14.29713360
  O     15.42081542      8.18440816     -9.96123654
  H     21.10193141      5.49231176    -11.30711601
  H     20.19000974      4.94623533    -14.18722809
  O     12.70165686     10.62063617    -12.56202564
  H     21.39263056      6.49231223    -12.43376099
  H     14.72584343      9.23458268    -14.06859425
  O     17.40269135      9.25548286    -15.52447681
  H     14.56476559      8.60913256     -9.82374003
  H     15.73535491      9.98882307    -13.16223392
  O     11.30094439      8.63702788    -13.79373301
  H     15.91458743      8.75182115    -10.57353713
  H     17.91958963      6.40329907    -12.21349630
  O     17.95180282      5.12748475    -10.87962093
  H     12.86331083     10.33443820    -11.65571947
  H     18.53980085      7.50979847    -13.14959292
  O     14.22919849      6.31956311    -11.80375018
  H     13.55828466     10.62791036    -13.01016749
  H     14.01339679      7.12882547    -13.38774097
  O     20.33531949      3.75050640    -11.30092816
  H     16.67413938      9.73842963    -15.11617072
  H     12.95996326      7.85744821    -14.25849912
  O     15.80388654      4.14573559    -12.35545653
  H     17.06243114      8.36217682    -15.66158587
  H     16.81776209      7.42203341     -9.15134161
  O     17.11787000      4.03601510    -14.95952700
  H     11.72309257      9.41583251    -13.38724926
  H     17.56160544      6.94742904     -7.88279271
  O     21.18818511      6.56770837    -14.36193325
  H     10.56288801      8.95782673    -14.30417946
  H     12.33181010      9.72675706     -9.23267782
  O     19.76818637      4.12526013    -13.90464787
  H     17.90815788      5.66504359    -10.07975855
  H     12.38030521      8.64650512    -10.33937617
  O     15.13929053     10.09729069    -13.91775017
  H     18.77939780      4.63035455    -10.87777995
  H     19.17718835      7.91483585     -9.63373912
  O     17.71836235      7.10031445    -12.84966444
  H     14.72050320      5.50414232    -11.98207895
  H     20.42621806      7.66097842    -10.52653048
  O     13.88330659      7.58125308    -14.23575910
  H     14.72778922      6.83996132    -11.16377214
  H     20.00524384     11.20232254    -11.43821413
  O     17.64061794      7.01547345     -8.83120840
  H     20.14345057      3.79150751    -12.25719697
  H     19.71103774      9.71785715    -11.09344384
  O     12.88124029      9.37427114     -9.92803200
  H     20.69978330      2.88787607    -11.12650357
  H     15.38531596      6.89330014    -15.01553957
  O     19.89562048      8.35198351    -10.10094690
  H     16.18887090      3.99845334    -13.22581899
  H     16.76882512      6.78405686    -14.32788923
  O     19.53114655     10.43145304    -11.73555496
  H     16.54662788      4.36702880    -11.77543258
  H     11.39302114      7.66703424    -12.12392059
  O     16.30410900      6.63259361    -15.16770350
  H     16.82181842      3.47879027    -15.67529819
  H     12.46925954      6.80458793    -11.43026543
  O     11.67911115      7.33858254    -11.26270691
  H     16.80566259      4.93494803    -15.15868118
  H     17.70912844     10.00107038    -11.75572732
  O     16.88095829      9.51504358    -11.84264716
  H     20.69649164      7.40616899    -14.33423298
  H     17.11568008      8.64537927    -12.20498051
          69
 Energy    -248.69880859265396     
  O     -9.78736415      1.54852351      3.36550284
  H     -9.31348786      0.83934226      2.91117086
  H     -9.10786624      3.56601409      1.27232605
  O     -6.27677160      0.39968805      6.75943744
  H    -10.37642752      1.19598652      4.04319810
  H    -12.13957706      1.57258405      5.28568280
  O     -8.22724562     -2.15114340      3.99192413
  H     -5.96909838     -0.35166714      6.23134375
  H    -10.86814408      1.61455720      6.17098079
  O     -7.89880035      4.33866621      6.24865576
  H     -6.78102666      0.95349723      6.14137306
  H    -11.38884817      5.85513107      5.61028365
  O    -13.32199919      2.89451993      4.75680589
  H     -8.73299770     -1.78308864      4.73795336
  H    -11.50540120      7.35157354      5.23452707
  O     -7.51119308      1.97974661      4.86905491
  H     -8.50825133     -3.05731236      3.89270220
  H    -11.43332548      4.41011987      2.47351843
  O     -8.49562431      0.33856923      8.32174987
  H     -6.96441312      4.56047888      6.35054316
  H    -11.92304151      5.39114728      3.55425771
  O     -9.85992073      2.64776014      7.33663794
  H     -8.22369511      4.81914596      5.47203138
  H     -8.03385273     -0.88750079      2.63775945
  O    -11.88286211      4.52322857      6.63839047
  H    -12.94918910      3.46982165      4.06476964
  H     -7.03878995      0.25598755      2.38179335
  O     -5.98228915      5.14430800      3.37133335
  H    -14.25984995      2.84218022      4.59327866
  H     -9.03650219      4.99200455      3.19457483
  O     -5.49616602      1.11526884      3.23045850
  H     -8.32948957      1.83213562      4.37942963
  H     -9.50565946      6.03899192      4.23562943
  O     -9.71007632      3.86274739      1.96595073
  H     -7.59195678      2.83689233      5.30352601
  H     -4.63378161      3.67448151      0.93997539
  O    -11.37662195      1.05208782      5.56781759
  H     -8.36233933      0.00099313      9.20394514
  H     -5.53926522      3.99038917      2.15492993
  O    -11.15573437      6.51691414      4.93467018
  H     -7.62623880      0.33585295      7.88491675
  H     -9.24250123     -0.73421790      6.86492716
  O    -12.20305331      4.64698197      3.00765778
  H     -9.41854557      1.91806472      7.78817240
  H    -10.37977028     -0.48833541      5.86908085
  O     -7.90187492     -0.08426506      2.11508403
  H     -9.16635113      3.25188072      7.03514542
  H     -6.42923424     -1.72226213      4.48106565
  O     -8.72809252      5.56840767      3.91002141
  H    -11.23923787      3.92392399      7.03609061
  H     -5.38611898     -0.64203375      4.13255944
  O     -5.29324588      3.29709872      1.51616613
  H    -12.47435259      3.96844195      6.11461236
  H     -4.79388779      1.55237977      6.27793863
  O     -9.63747072     -1.07832901      6.05638990
  H     -6.90151899      5.41848158      3.48496358
  H     -4.38363423      1.81816483      4.82876617
  O     -5.58219168     -1.35015345      4.75855807
  H     -5.61233608      5.07918878      4.25927388
  H     -6.95561532      2.73881945      0.74676358
  O     -4.27964019      2.15508551      5.72478145
  H     -6.18569665      1.47731352      3.81289974
  H     -7.93306132      1.55054291      0.78694149
  O     -7.83396539      2.45265441      0.46591539
  H     -5.30407973      1.80001571      2.57629939
  H     -4.45821020      5.22628574      6.55469222
  O     -5.11561855      4.72544144      6.07892147
  H     -9.83899154      3.07293382      2.51572141
  H     -4.76314326      3.82404608      5.97831416
          69
 Energy    -248.69876631677272     
  O     19.37932450      9.09917155     -6.90955136
  H     19.54266176      8.14431011     -6.95615851
  H     16.84123470      8.91550639     -8.92650075
  O     18.24881323      4.98820233    -10.82094273
  H     19.38651061      9.33562042     -5.98484178
  H     21.19871006     10.25978717     -9.61578736
  O     18.46369991      5.54009325    -14.43457303
  H     17.56555433      4.87642428    -11.49625263
  H     20.77606758      9.75945151     -8.20446172
  O     18.68598981      8.18094814    -13.44951941
  H     18.46560975      5.93357997    -10.81508927
  H     16.93590272     10.34906306    -12.43055997
  O     22.40953560      6.48509850    -12.00617007
  H     18.53769461      6.48402639    -14.23642240
  H     15.95517245     10.44073316    -13.62528848
  O     16.21555426      5.01065309    -12.70130577
  H     17.64370277      5.25513568    -14.01294850
  H     19.86389769      4.98027990    -13.39355437
  O     21.30986584      8.98528350    -12.91431769
  H     17.91894846      8.76028620    -13.51579813
  H     19.81329736      4.64857910    -11.90454799
  O     14.76542084      4.18304444     -8.48461030
  H     18.77005198      7.96921100    -12.50681766
  H     12.90234096      6.29701495    -10.21824601
  O     21.36428494      7.09042470     -9.49695996
  H     21.72356856      5.84619138    -12.27649765
  H     13.66549339      6.68042427    -11.50316968
  O     18.90584348      7.67061564    -10.72079138
  H     23.24125492      6.14640035    -12.32565349
  H     14.84124698      7.29970468     -8.71243595
  O     19.90190895      6.36626710     -7.30725408
  H     15.55393471      4.41969924    -12.32234306
  H     16.30104229      6.77644717     -8.75505433
  O     17.58876083      9.52350057     -9.02424271
  H     15.92829684      5.91085692    -12.48772627
  H     15.54651871      7.57362846    -10.87104953
  O     21.47786312      9.72168615     -8.86271201
  H     21.74821143      8.16472612    -12.66230819
  H     15.64909608      8.32379986    -12.23591625
  O     16.40766428      9.82256332    -13.05781555
  H     20.45360339      8.73164592    -13.28651309
  H     21.30260248     11.81667747    -11.56048117
  O     20.43056697      4.79017777    -12.63138732
  H     15.68861321      4.42618667     -8.33867418
  H     21.01093994     10.33011152    -11.86507395
  O     12.97860710      6.09314991    -11.15865406
  H     14.69207916      3.88090060     -9.39885469
  H     17.66909955      5.08147183     -9.17848303
  O     15.73424383      7.52057285     -9.00359628
  H     21.83698294      6.84125070    -10.30076567
  H     18.14812473      5.65895244     -7.83349314
  O     15.33326148      7.51695536    -11.81209233
  H     21.56807871      8.01836825     -9.29480830
  H     12.62356485      6.41252786     -7.60118309
  O     20.79541237     11.06525590    -11.26295983
  H     18.46848687      8.34400960    -10.18697836
  H     13.72360463      5.57346523     -8.29969730
  O     17.36390744      5.34635278     -8.29473210
  H     19.79256712      7.54741999    -10.35844697
  H     17.74703997     10.69457158    -10.40548911
  O     13.24503074      6.42298269     -8.32345690
  H     20.43995874      6.51823720     -8.10444507
  H     18.90265822     11.16089670    -11.30938968
  O     17.94052258     11.11972433    -11.25312884
  H     20.39506858      5.75715879     -6.76204403
  H     13.60504134      2.95929845    -11.56429478
  O     14.18603748      3.65153999    -11.25896724
  H     18.12791450      9.45647955     -8.22738821
  H     13.66937161      4.47761421    -11.26966850
          69
 Energy    -248.69819332430222     
  O     11.66773273     12.89528436    -12.45672021
  H     10.80640298     13.29028830    -12.35770705
  H     12.68235654      9.86797338    -15.45809684
  O     20.57484947      8.39130257    -10.95908026
  H     11.54207690     11.92814686    -12.43303347
  H     15.11975364      9.91254548    -13.66393342
  O     17.53650503     11.37064069    -12.02813808
  H     20.61501101      8.49675652    -11.92540270
  H     14.65635282     11.39718461    -13.49408026
  O     14.03914609      7.06350715    -11.51902218
  H     21.47607737      8.42410248    -10.65153937
  H     14.25039498     11.17678977    -16.78542967
  O     16.64434963      7.12300412    -12.43462798
  H     17.34747480     12.21962532    -11.61388287
  H     12.89119176     11.44850083    -17.47050329
  O     13.74953413     12.78088743    -14.31119127
  H     16.70225123     11.10442336    -12.44932478
  H     16.64302661      9.10374120     -9.50210836
  O     17.53305100      8.93546820    -15.94652600
  H     13.22965913      6.83376374    -11.97208565
  H     15.98435177      8.74623804     -8.15698681
  O     17.91441333      8.95336126    -10.74934238
  H     13.91138011      7.96659100    -11.19739890
  H     19.85104599      7.95959389    -13.98547543
  O     15.97519700     11.07179271    -16.95924681
  H     15.78378881      6.93371574    -12.03468419
  H     20.02102963      9.49305220    -13.98690961
  O     18.47466932      6.70324040    -14.46874832
  H     17.10171119      7.73635101    -11.84193137
  H     15.27707203     13.75371382    -14.13098267
  O     17.74048955     13.05497029    -15.89206249
  H     12.96686425     12.89800304    -13.75769727
  H     16.29217841     14.09075799    -13.02077391
  O     12.55743625      9.19376113    -14.77968115
  H     13.48240454     12.34674695    -15.13178520
  H     16.56432001     14.42876285    -10.46000289
  O     15.14025148     10.67593506    -13.07323995
  H     17.98518887      9.61888686    -15.42863655
  H     15.48128926     13.43227633    -10.92638281
  O     13.29552652     11.28447357    -16.62276133
  H     17.90169091      8.09527794    -15.64789342
  H     13.84222793     11.80026641    -10.46067251
  O     15.85240900      9.24814857     -8.95709709
  H     18.85356840      8.72257755    -10.70989729
  H     13.11217452     12.93722635    -11.18567196
  O     20.42269127      8.67207376    -13.67479984
  H     17.85136917      9.82937107    -11.15628602
  H     18.47257005     11.08324986    -13.56476534
  O     16.16316977     14.11114255    -13.97538728
  H     16.53778531     11.79793401    -16.66264782
  H     18.60471104     11.67155984    -14.98449453
  O     16.37045599     13.77411154    -11.12571798
  H     16.48768392     10.26800526    -16.80988330
  H     11.87701642      9.81488624    -13.21924069
  O     13.87766610     12.74804779    -10.62943739
  H     18.63446784      5.77434052    -14.61609842
  H     12.26426533      9.98298623    -11.72494061
  O     18.83375743     10.90471304    -14.44458992
  H     17.84642477      6.76328428    -13.72980375
  H     14.55257208      9.65276560    -10.06249863
  O     11.59314347     10.20897021    -12.37993791
  H     17.20395027     13.47123998    -15.19322674
  H     14.37743025     10.12055735    -11.55602539
  O     13.90329463      9.82187508    -10.76293363
  H     18.14154393     13.76266036    -16.38940301
  H     15.61810489      7.85902889    -13.81080954
  O     15.21141442      8.33381925    -14.54714974
  H     13.40371443      8.72880768    -14.73647130
  H     15.93157931      8.54816648    -15.15474461
          69
 Energy    -248.69787925250895     
  O     -9.65774740      1.19908690      3.01134837
  H     -9.94376286      2.04134293      2.63317499
  H    -11.17504701      3.86703408      2.19793138
  O     -6.10865998      0.83390527      5.72190410
  H    -10.11020507      1.08026483      3.85988091
  H     -5.34002645      0.11890849      4.08013232
  O     -7.71140845     -1.49658928      5.06965246
  H     -6.57297608      1.42069092      5.10161037
  H     -6.04996606     -0.25385981      2.76531628
  O     -7.90467948      4.43302714      5.98304963
  H     -6.62144299      0.86288335      6.54345546
  H    -10.55683093      0.15567259      5.95577886
  O    -13.03129761      2.58956614      5.05499805
  H     -7.10390989     -0.80132331      5.35028564
  H    -10.42615234      1.69318063      6.08089179
  O     -7.46976122      2.53580718      4.07770853
  H     -7.78759988     -1.40429774      4.11273918
  H    -12.25704474      5.46444898      3.95556325
  O     -7.99334440      0.87583710      7.74759576
  H     -7.75055473      3.72958795      5.33109210
  H    -10.88394043      6.03929927      4.34703337
  O     -9.86044417      2.99610537      7.21927377
  H     -7.06924109      4.90881004      6.05699522
  H    -13.00234391      3.47412523      3.55682796
  O    -12.19490431      4.57134627      6.95015657
  H    -12.36468108      1.90061170      5.17640713
  H    -13.76176808      4.06821431      2.34622878
  O     -6.54316219      6.31488838      3.15928282
  H    -12.88977638      3.21377081      5.77782144
  H     -8.52033108     -0.06445178      2.48094478
  O     -3.90864402      2.24765046      2.37663611
  H     -8.22758688      2.07113256      3.70483244
  H     -8.08917531     -1.18692682      1.51293387
  O    -10.22082552      3.76750204      2.08796455
  H     -7.01198551      2.99182819      3.35837603
  H     -8.33313052      6.07642434      3.45149326
  O     -5.19486873      0.00153598      3.13310924
  H     -8.56911187      0.11323964      7.61662376
  H     -8.86039841      5.28286052      4.64276264
  O    -10.77674502      0.98699132      5.51782166
  H     -8.58471603      1.63888300      7.74689721
  H     -6.78104844      3.57949814      1.23379735
  O    -11.80035143      5.95971834      4.64561914
  H    -10.65995750      3.53427708      7.26659420
  H     -5.38264375      3.29132460      1.91675937
  O    -12.91256291      4.05425464      2.77890136
  H     -9.16361268      3.57242782      6.86986137
  H     -9.03974887     -1.45236194      6.18206640
  O     -7.84549469     -0.74562203      2.32281232
  H    -12.03282552      5.13767360      6.17428893
  H     -9.97672491     -2.08687552      7.23953328
  O     -9.14277834      5.68887793      3.81230720
  H    -12.68861777      5.09644683      7.57437467
  H     -4.74819136      2.29128777      5.50569836
  O     -6.19897635      3.80257287      1.97385579
  H     -6.08348358      6.19551865      3.99857780
  H     -4.07545373      2.84049337      4.23030629
  O     -9.74263039     -1.25935723      6.82898301
  H     -6.35504572      5.51140905      2.65326214
  H     -8.47426397      3.68554664     -0.67987639
  O     -4.28929255      3.05856020      5.14533814
  H     -4.32846669      1.39029048      2.57168685
  H     -8.98903400      3.49764414      0.75475788
  O     -8.23581594      3.32077161      0.16938173
  H     -3.06268874      2.05824214      1.98021263
  H     -4.72199055      6.01266240      6.24509921
  O     -5.33554517      5.52859822      5.69863049
  H     -9.80427120      4.42445562      2.66508433
  H     -4.91909784      4.66992088      5.50800275
          69
 Energy    -248.69783091402661     
  O     11.01466184     10.71786543    -11.92956940
  H     11.82714232     11.11808554    -12.26115182
  H     14.93170848     12.20576149    -15.73942692
  O     14.13701321      7.82012776    -15.17334027
  H     10.55434350     10.36245004    -12.70091513
  H     16.43324420      9.31056430    -13.91676707
  O     17.54741084     10.65195126    -10.49501426
  H     14.65170247      8.03199977    -15.96158213
  H     15.70645245      9.08101278    -12.56348668
  O     16.03486872      8.91608589    -16.95583576
  H     14.70717777      8.10994118    -14.44290862
  H     10.97198625      9.41168929    -10.76872079
  O     12.34430647      9.90830210    -15.24397598
  H     16.60458665     10.54154752    -10.70539412
  H     10.40220935      8.77438998     -9.47671601
  O     15.81662038      6.16946141    -10.23441439
  H     17.59980374     11.31004020     -9.80648684
  H     18.83128082      6.97256153    -13.10150392
  O     13.26108393      6.23665991    -13.06808275
  H     16.54090195      8.09238001    -16.99671482
  H     20.35383952      7.01000871    -12.84459145
  O     14.97194532     10.13568741    -11.24078831
  H     16.52780456      9.49399469    -16.35479268
  H     10.63364594      7.44829180    -11.75684041
  O     15.50721465      4.61605355    -12.38806037
  H     12.87550826      9.09853234    -15.22805557
  H     11.43727231      6.65448413    -12.81272902
  O     17.19518410     10.54364170    -14.96690664
  H     11.44597947      9.67407538    -14.98320747
  H     18.56968597     10.50086269    -12.10227873
  O     17.38443754      6.52115290    -16.58708651
  H     16.60503776      6.72882108    -10.17448435
  H     19.27174252      9.37685646    -12.88601290
  O     15.32527986     12.67980594    -14.98311163
  H     15.05328543      6.75862885    -10.20426977
  H     16.76839389      5.59124013    -13.36708478
  O     16.00280775      8.64047531    -13.36624862
  H     13.95286977      5.58624749    -12.89590493
  H     16.84937776      7.11745880    -13.59375896
  O     10.95234180      8.59700982    -10.23442871
  H     13.48952016      6.67242014    -13.90115028
  H     18.62451312      7.67085489    -10.99200774
  O     19.53999875      7.47646050    -12.67008275
  H     14.43614939     10.63071800    -11.87650922
  H     17.90805861      8.78764584    -10.22057260
  O     10.58538024      7.07894001    -12.64748502
  H     14.45794620      9.36597244    -10.95712487
  H     14.80303494     10.38514502    -17.14375064
  O     19.00202843     10.30185662    -12.94243000
  H     15.65191590      5.12290393    -11.56561744
  H     13.45521914     10.76610471    -16.49106125
  O     17.30296852      6.27910278    -13.78103815
  H     15.49452946      3.69446990    -12.14541543
  H     13.46738348      7.31865904    -11.56075427
  O     18.03027321      7.83171011    -10.24966561
  H     17.92813548     10.57859144    -14.33248133
  H     12.68795219      8.04302156    -10.43086172
  O     14.23403533     11.13586103    -16.92924893
  H     16.68663944     11.36041951    -14.89693261
  H     14.11107075     11.99412404    -13.67612363
  O     13.57485197      7.82222732    -10.74173559
  H     17.38125368      6.36468985    -15.63092453
  H     13.08573696     10.87051066    -13.89362988
  O     13.49228135     11.42123985    -13.20781968
  H     17.62871461      5.69176862    -16.99031968
  H      8.98947231      9.15790101    -14.45163706
  O      9.87940669      9.24204223    -14.12086520
  H     15.45365784     13.58275851    -15.26122654
  H     10.08740399      8.41388259    -13.65196894
          69
 Energy    -248.69747820256433     
  O     13.38441872      4.16767567    -11.78966698
  H     13.25341417      3.23811870    -11.56922402
  H      8.04661016      2.91569331     -7.99405222
  O     12.74583478      1.54400876    -10.86714967
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  H     12.13407026      4.87199925     -7.79573312
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  H     13.59097370      5.37643998     -7.95908762
  O     11.17175937      3.33719593     -7.73325059
  H     10.30314245      4.76225463    -11.46361890
  H     13.54551715      1.94878219     -9.17443636
  O     12.48891129      5.86446117    -13.89949799
  H     14.74318681      7.58037633    -10.46246678
  H     12.89074006      2.53049488     -7.91352314
  O      9.94158352      9.52149976    -11.81405077
  H     15.16291624      9.06800683    -10.53532082
  H     12.51079187      7.52955111     -8.03703733
  O      7.39748077      5.51661563    -11.17826177
  H      9.99319424      2.80435036    -10.85522773
  H     13.14377837      8.56289089     -8.98092978
  O      8.72713218      4.39092065     -6.89493916
  H      9.35861066      2.06663297     -9.64997857
  H     14.72263882      5.28272049    -11.05718217
  O      9.86483813      5.53155572    -14.42422568
  H     10.86293124      2.97317355     -8.57469522
  H     15.36627815      5.44427568     -9.67033887
  O      7.87240756      2.29887692     -8.71363385
  H     10.37820478      3.61787771     -7.26040754
  H      6.22524215      4.33095031    -10.45847842
  O     11.42833480      5.77815527    -10.44935952
  H     12.90846480      5.18377066    -13.35947751
  H      4.92436104      3.51391855    -10.44716297
  O     12.66762919      5.65524395     -7.99179691
  H     12.47611448      6.66422728    -13.35389969
  H     12.95386281      8.26309868    -11.53904908
  O     13.74616899      2.29441584     -8.29641591
  H      9.72301871     10.43908108    -11.95125879
  H     11.48542321      8.56745734    -12.01320166
  O     12.43352113      8.44370601     -8.33962550
  H      9.85723225      9.35029492    -10.85731565
  H     14.80615850      3.66815246     -8.14079427
  O     15.20604616      5.90742198    -10.50200280
  H      7.52231666      6.28091940    -11.75967459
  H     15.90865887      4.41357245     -7.35087119
  O      5.77395919      3.59216048    -10.02076048
  H      8.09511660      4.89554085    -11.43187283
  H     10.74186140      8.82070994     -8.84199554
  O     12.19873343      7.91619772    -12.03201212
  H      8.76802989      5.07490960     -7.58493599
  H      9.39271835      8.07728517     -8.98663487
  O     15.26040854      4.52413390     -8.04105048
  H      8.29312614      4.78413619     -6.14247708
  H      8.83929013      6.90382866    -13.49221112
  O      9.84685471      8.89740923     -9.20704391
  H     10.82621540      5.65662310    -14.32971725
  H      8.83376604      8.16911192    -12.59894344
  O      8.28558920      7.44005169    -12.91152140
  H      9.70247883      5.31848493    -15.33917808
  H      8.30068927      6.01463833     -9.65951842
  O      8.97220682      6.17693707     -8.98182166
  H      7.08821150      2.64289271     -9.16466575
  H      9.82411165      6.07726534     -9.42447274
          69
 Energy    -248.69746336474421     
  O     -7.12586656     -1.83271503      6.31266008
  H     -6.20212084     -1.55485160      6.26546693
  H     -4.52769266      1.14292234      0.97382395
  O     -9.41430458     -1.10313822      3.34933076
  H     -7.29722025     -2.37169716      5.53241652
  H     -6.30121784      0.08223741      3.55290972
  O     -7.88758659     -3.28381052      3.91463736
  H    -10.05803277     -0.82637185      4.01545520
  H     -7.22857244      0.97781887      4.43995363
  O     -5.91988029      1.06425168     -0.18012482
  H     -8.62872523     -0.54368714      3.46073157
  H     -4.43158236     -0.89418864      5.05816902
  O     -4.76722174      1.94697879      5.98244337
  H     -8.52407662     -2.58436728      3.68568126
  H     -3.64687807     -1.37439519      6.30194800
  O     -5.63178426      5.66859670      0.44293086
  H     -8.38443316     -4.09528520      3.98636343
  H     -2.48354569      3.90777033      0.93593070
  O     -8.92905356     -0.11065570      7.33947596
  H     -6.21304620      0.16655301     -0.37143430
  H     -1.30078310      3.33228659      0.11879934
  O     -4.62928901     -0.72483410      3.35006220
  H     -6.62543311      1.47152888      0.34562498
  H     -8.18987188      4.22148358      3.90223227
  O     -4.74921119      3.51611179     -0.97773036
  H     -4.57314227      1.01191749      6.10758691
  H     -9.67811912      3.91619276      4.11642985
  O    -10.98263101     -0.26607425      5.45068474
  H     -5.72317198      2.03120510      6.11201652
  H     -6.36247180     -2.31139534      1.14243706
  O     -7.16211563     -1.49079718     -0.37578621
  H     -5.37313471      4.91370814     -0.11559018
  H     -6.60064412     -2.94854212      2.54125412
  O     -3.81387099      1.24980993      1.61973353
  H     -5.81247054      6.39594101     -0.14631636
  H     -9.02217268      0.65957852      0.83757060
  O     -7.17809669      0.47827959      3.61406094
  H     -8.28799530     -0.75723028      6.98920224
  H     -9.52781541     -0.60922665      1.54969928
  O     -4.44780503     -0.93241111      6.03166299
  H     -8.90038729     -0.18440291      8.28966737
  H     -8.10823557      1.37546772      6.48509828
  O     -2.21503672      3.18312922      0.34216032
  H     -4.98567212     -1.45140468      2.81535562
  H     -8.07008224      2.66310124      5.57814551
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  H     -4.20334090     -0.09108801      2.75859640
  H     -3.64841655      4.52351492      2.67911107
  O     -5.91756855     -2.63619877      1.93495204
  H     -3.83725678      3.38249789     -0.69067757
  H     -4.00928867      5.45831310      1.51143769
  O     -9.33202186     -0.24166594      0.67703844
  H     -5.18617688      2.66098468     -0.87439737
  H     -4.59184463      2.79436456      4.41871122
  O     -7.54093069      1.94390072      5.95335808
  H    -11.81883528      0.01466212      5.81333410
  H     -4.37562586      2.47855316      2.90752553
  O     -3.26076845      5.07498604      1.98414862
  H    -10.33755200     -0.19902594      6.17121873
  H     -7.65463687      2.95190070      1.75392902
  O     -4.62169667      3.17490295      3.52958200
  H     -7.98576760     -1.09063836     -0.04397231
  H     -7.64760964      1.48977314      2.23088455
  O     -7.88306224      2.05628370      1.47889172
  H     -7.38736203     -1.95996035     -1.17505525
  H     -6.13785789      3.98233546      2.99943177
  O     -6.91278262      4.41645322      2.60887813
  H     -3.13781907      1.79309795      1.19754920
  H     -6.58180891      4.96286924      1.88611003
          69
 Energy    -248.69737767488454     
  O     12.10956543     11.23805327    -14.21034615
  H     12.77382649     11.93289217    -14.14622461
  H     19.03265687      6.86722451    -13.66972448
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  H     12.41232759     10.65697846    -14.92293196
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  H     16.58389983     11.70123593    -16.00130681
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  O     15.63427881      9.20839065     -8.82205342
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  H     17.32264569      6.54591996    -11.18233424
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  H     14.80111818      9.33980319     -9.29608517
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  O     11.11466703      9.71436321    -12.21864470
  H     15.23771999     10.24092371    -13.15842257
  H     18.02888913      4.69745170    -12.83510819
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  H     14.92942735     11.73230835    -12.89616219
  H     15.36600489      9.50675037    -18.14560164
  O     11.96077968      7.19764183    -13.27285355
  H     17.17233554      8.06343995    -17.49279983
  H     14.68594722     10.42568305    -19.19076444
  O     19.17357425     10.07917254    -12.87911096
  H     15.78559476      7.37043209    -17.40398766
  H     12.59607022      9.63541263    -11.06757078
  O     17.95789162      5.64540149    -12.75469780
  H     19.12126473      7.91918446    -15.85513151
  H     14.05081056     10.09179475    -11.29096529
  O     14.80126671     10.29540146    -18.25390779
  H     19.68441749      8.12955546    -17.27950442
  H     14.38112949     13.96533595    -14.10939298
  O     13.49050077      9.55096904    -10.71516634
  H     13.87816558      6.31920952    -16.40775100
  H     14.84541356     12.73734654    -14.92598664
  O     14.35945013     13.01252875    -14.12777229
  H     15.13956568      6.10518679    -15.57046648
  H     13.61281327      9.77406771    -16.94609671
  O     13.19859582      9.53169637    -16.10814149
  H     19.42311570      8.36421102    -13.65995552
  H     12.80510933      8.65357947    -16.19333437
          69
 Energy    -248.69733697028056     
  O     13.13283673     12.35275576     -9.88693782
  H     12.23207747     12.21513595     -9.57185667
  H     11.93567778     14.35914687    -12.68200065
  O     11.17460777     11.82583270    -14.75885346
  H     13.12421477     13.11573591    -10.48267712
  H     17.01734567     12.96466182    -16.90831955
  O     13.82933763     10.15230228    -11.46190017
  H     11.21690137     12.63469137    -14.22628619
  H     17.21192914     13.94349642    -18.09513772
  O     18.56995861     12.44905690    -13.27974418
  H     11.30814383     12.08767668    -15.67865775
  H     13.88700539     13.80566392    -12.36791401
  O     10.49165865     11.61906581     -9.28216162
  H     14.78757528     10.24548479    -11.53450960
  H     14.19136323     14.94601017    -11.37586735
  O     11.08026071      9.51242139    -10.90112884
  H     13.54691784     10.89966229    -10.91269792
  H     12.33824034     14.34003252    -16.23669318
  O     13.42472076     10.32148301    -14.20675351
  H     18.14725409     13.32586581    -13.22433216
  H     12.06721055     14.87821234    -14.82219268
  O     15.91552737     15.39558509    -10.70766444
  H     19.49643346     12.58033156    -13.09714727
  H     14.95781212     13.36786488    -14.19895435
  O      9.53862003     10.30865054    -13.17052422
  H     10.65988941     10.80284305     -9.78765719
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  H     12.01896919      9.51022392    -11.12377524
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  H     11.41909436     12.87844661    -18.12792744
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  O     12.63407117     14.99580716    -15.59475152
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  H     14.72098447      9.91914231    -15.31558938
  O     14.68626647     12.73805469    -13.51790917
  H     16.16020535     16.05153909    -10.06045368
  H     17.27342973     11.47201969    -12.26832168
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  H     10.06825908     10.80040537    -13.81991320
  H     15.79912829     11.82614691    -12.44067187
  O     11.84082088     12.77856256    -17.27890662
  H      8.85271272      9.85979232    -13.65862190
  H      9.70687459     12.52832847    -10.78601008
  O     15.43902704      9.82569036    -15.96431793
  H     15.74665040     14.51396252    -16.05304799
  H      9.27043507     11.95326292    -12.13646908
  O     16.39973604     11.27692977    -11.91128577
  H     14.41854324     14.99546333    -15.37932110
  H     16.65734230     14.98153402    -13.87175723
  O      9.39866885     12.78418736    -11.66389294
  H     14.71004675     11.11579822    -17.17063866
  H     16.85148442     15.10184285    -12.34132450
  O     17.29510674     14.84481353    -13.15847958
  H     15.07048494     12.51665365    -17.70005069
  H     14.96995162     12.66865988     -9.49851714
  O     15.89884130     12.89301184     -9.64233102
  H     10.48167453     13.82064509    -12.68939067
  H     16.20335007     12.28630926    -10.33032833
          69
 Energy    -248.69709404759749     
  O     -2.40919417      1.64696164      1.44939347
  H     -2.49313874      2.56215845      1.19686953
  H     -1.21624535     -3.41029351     -1.00461007
  O     -1.54943893     -1.91907796      7.80570889
  H     -1.63840127      1.29149064      0.97151842
  H     -1.76207227     -5.42278341     -0.27525281
  O      1.86051818     -0.85816535      1.52858199
  H     -2.06621771     -1.24108262      7.33349628
  H     -2.81441548     -6.54028775     -0.43694137
  O     -2.24848204      0.01371438      3.70278602
  H     -1.33121949     -1.55582757      8.65939695
  H     -0.51793336     -2.33546944      2.70095295
  O      1.49631922     -5.17124208      4.78126501
  H      2.66353667     -0.39372013      1.75459675
  H     -0.06580371     -3.67142833      2.06321228
  O     -3.60502202     -3.76522689      6.98583790
  H      1.35439041     -0.94021622      2.35454210
  H     -2.27603983     -3.90104870      2.34974867
  O     -0.21932380     -3.07754472      5.63181086
  H     -2.32078096      0.67551725      3.00337060
  H     -3.06702750     -5.03362583      1.68604064
  O     -0.36047834     -7.14537955      4.60477396
  H     -2.87584813     -0.69255729      3.48897457
  H      1.74960715     -4.35238486      1.20756988
  O     -5.25104616     -2.00788001      5.74818877
  H      1.07387992     -4.40025742      5.18029140
  H      0.96376887     -5.57410268      1.80788883
  O     -0.34663848      0.42962907      0.16669222
  H      1.61757092     -4.95936471      3.84429487
  H     -3.94235980     -2.84036388      2.89650293
  O     -0.11479846     -6.96910088      1.74076737
  H     -2.91591229     -3.24278561      7.41328937
  H     -4.64389115     -1.98957981      3.99828320
  O     -0.72414538     -4.24190222     -1.08462353
  H     -3.15335449     -4.31763574      6.33205478
  H      1.85050741     -2.32629585      0.34449858
  O     -2.34407011     -6.02912097      0.21672129
  H     -0.55510377     -2.68219668      6.44625309
  H      2.54338503     -2.93383351     -0.89085810
  O     -0.79550794     -3.03894598      2.10366383
  H     -0.89409057     -3.70611033      5.33780036
  H     -0.56178580     -0.58870422      3.79228795
  O     -3.09736963     -4.41629688      2.42512990
  H      0.36972961     -6.50927443      4.71793158
  H      0.21823304     -1.74781271      4.48069248
  O      1.41257346     -4.73957229      2.02233164
  H     -0.13790398     -7.91520003      5.12138655
  H     -1.49455616     -2.27764475      0.57752502
  O     -4.17961209     -1.93935403      3.15320036
  H     -6.14016708     -2.06635575      6.08690432
  H     -2.70698658     -1.50525821     -0.02575669
  O      1.89327520     -3.11634802     -0.21588473
  H     -4.72804531     -2.69008919      6.20688935
  H     -2.75212814      0.02176976      5.49969773
  O      0.26627590     -1.09170846      3.77008496
  H     -0.82477797     -0.35785815     -0.13348563
  H     -3.91982726     -0.68362685      6.21145894
  O     -1.84242662     -1.88540478     -0.23710287
  H      0.45867861      0.10391360      0.58069205
  H     -2.57679950     -4.89112202      4.10212812
  O     -3.09381392     -0.21114979      6.37319967
  H     -0.93853253     -6.76524225      1.28154135
  H     -1.63013255     -5.83215299      4.89548677
  O     -2.15973896     -5.02790908      4.96337213
  H     -0.33360748     -7.14324629      2.66451417
  H     -4.30173589     -1.02554774      1.50676913
  O     -4.10139741     -0.58695278      0.66891121
  H      0.18356666     -4.00404020     -0.87284859
  H     -3.68699110      0.25290562      0.90011303
          69
 Ord_Energy   -248.696976    
 O   -2.60807586      -3.07560992       4.13272762    
 H   -2.16843843      -2.29121542       3.78972244    
 H   -2.80410719      -3.65047073       3.37635541    
 O   -9.03320694       2.45768523     -0.458106428    
 H   -8.91225815       2.76200819      0.449772209    
 H   -9.71866989       1.77952588     -0.421324372    
 O   -4.98274326      -1.53165996       1.20644331    
 H   -5.28681231      -1.81138802       2.07797980    
 H   -5.43992090      -2.10168362      0.576744795    
 O   -10.7989540      0.187493280      -8.43926221E-02
 H   -10.7635593      0.395479262      0.866565943    
 H   -11.7189217       7.99342096E-02 -0.309509337    
 O   -6.22061396      -4.94950724       1.79096103    
 H   -6.67237186      -5.78236532       1.68256867    
 H   -6.37825632      -4.43587971      0.980109155    
 O   -8.32223701      -1.15355539     -0.321275860    
 H   -9.23506927     -0.840059578     -0.334571093    
 H   -7.78464746     -0.441527665     -0.699322343    
 O   -3.34903479      -4.62265730       1.98350918    
 H   -3.07488799      -4.40303230       1.08212137    
 H   -4.28450775      -4.84219885       1.92878699    
 O   -8.64063644       3.10976934       2.33450532    
 H   -8.60787678       3.96027255       2.76557398    
 H   -7.84485865       2.62785792       2.61215878    
 O   -4.76395321      -3.00059676      -2.46795058    
 H   -4.71287537      -3.34635139      -3.35518122    
 H   -4.74000645      -2.02953005      -2.54337049    
 O   -4.20116377      0.225205347       4.27457476    
 H   -4.98912716      0.689196408       3.97223806    
 H   -4.49449778     -0.523071349       4.80899954    
 O   -6.48007631       1.47400212       2.95642400    
 H   -5.89724684       1.53039193       2.18406963    
 H   -7.03066921      0.685408771       2.83347511    
 O   -10.3730202      0.823090732       2.52280927    
 H   -9.65884686      0.187468737       2.67924070    
 H   -9.94770622       1.68852162       2.55664945    
 O   -4.73542452     -0.308725089      -2.54578519    
 H   -5.53244305      0.165174216      -2.27238131    
 H   -3.99525261      0.152899116      -2.13469458    
 O   -8.08354187     -0.755539775       2.48187637    
 H   -8.11276627     -0.925194204       1.53128266    
 H   -7.58499813      -1.47869885       2.88684440    
 O   -6.85480690       1.00204241      -1.26159060    
 H   -6.20426416       1.16607904     -0.564588010    
 H   -7.58957195       1.61343288      -1.10656357    
 O   -1.74401593     -0.435314417       3.28738689    
 H   -1.08556068       2.10676491E-02   3.80443144    
 H   -2.61131525     -0.129653528       3.60864735    
 O   -2.28852224      -1.18029475      0.673270226    
 H   -3.21027517      -1.42788160      0.847764432    
 H   -1.93126512     -0.916062117       1.53092086    
 O   -2.66929102      0.942336619     -0.994424880    
 H   -2.41998720      0.177119687     -0.447068512    
 H   -1.86050272       1.37599182      -1.25239515    
 O   -4.91044664       1.18672383      0.717445016    
 H   -4.11165094       1.32301676      0.195833907    
 H   -4.94638109      0.236369580      0.914953232    
 O   -4.70603800      -2.28759098       5.58296251    
 H   -4.63747597      -2.55587506       6.49424458    
 H   -3.91602254      -2.63099718       5.12259960    
 O   -2.66592574      -3.69669580     -0.573089421    
 H   -3.32188344      -3.49198627      -1.24864101    
 H   -2.32738304      -2.84709239     -0.262028009    
 O   -6.36967230      -2.66169119       3.40811443    
 H   -6.32203913      -3.54392767       3.01891351    
 H   -5.85305882      -2.64650464       4.22355127    
 O   -6.55242920      -3.28083944     -0.363014936    
 H   -7.26064920      -2.62525916     -0.439031720    
 H   -6.01769495      -3.25791836      -1.16808844    
          69
 Energy    -248.69685669178330     
  O     11.92319598      9.67976417    -13.94265246
  H     12.38856116     10.51308964    -13.81079392
  H     18.42025386      9.71086462    -13.94483665
  O     16.65052140      5.80777936    -13.38186273
  H     12.44398111      9.20419651    -14.60541483
  H     15.30254603     11.05596615    -16.31686908
  O     17.17640991     10.40862193    -10.65701187
  H     17.51519499      6.06460367    -13.03779054
  H     16.56227990     11.19512558    -15.45503627
  O     13.32619223      5.61196145    -15.86685589
  H     16.06984209      5.63777230    -12.62693685
  H     15.88527295      7.46893049    -13.58858657
  O     15.09737295      7.32895546     -8.13536523
  H     16.25064164     10.43298099    -10.93319672
  H     16.51211209      8.86651622    -13.51985317
  O     14.82984136      5.59963011    -11.30414192
  H     17.66660406     10.15154543    -11.44929286
  H     11.51747383      8.47051368    -12.74828856
  O     14.62548497     10.10870430    -11.74925790
  H     13.12697860      5.51196037    -14.91802034
  H     10.39415712      7.76371321    -11.95565707
  O     17.08014930      8.38188501    -17.10648803
  H     12.76933742      4.99237068    -16.32973548
  H     18.08412721      7.36280318     -9.32664957
  O     16.10709676      4.94070780     -8.89341817
  H     15.84181088      7.94322970     -8.18034536
  H     17.64297902      5.90156915     -9.52455385
  O     18.30910629     10.28486839    -15.66443121
  H     14.46977134      7.60654872     -8.81644917
  H     13.45961543      5.38022253    -12.57421682
  O     16.18232765      5.92606634    -16.13900865
  H     15.23511297      5.20981196    -10.52041672
  H     12.21392981      6.23553190    -12.88233412
  O     18.22390248      9.40825989    -13.04799202
  H     14.45786006      6.44768176    -11.02242380
  H     18.84388152      6.72107953    -11.43022610
  O     15.64565875     11.48324506    -15.52128447
  H     14.92655733      9.45610479    -12.40146690
  H     19.94111838      6.37730715    -12.46785010
  O     15.67090530      8.40856752    -13.64877973
  H     14.26346834     10.83950260    -12.26303674
  H     17.90110873      9.40079036     -7.78280615
  O     11.33213828      7.74445988    -12.12637156
  H     16.80325988      7.50509034    -16.80273788
  H     17.36452629      9.47858060     -9.23099356
  O     18.29208627      6.55397406     -9.81198321
  H     16.29300986      8.81600873    -17.45390836
  H     14.42976096      8.41249453    -14.98225464
  O     12.76502733      5.52340419    -13.22932018
  H     15.71415130      5.75394070     -8.52435280
  H     13.52419346      7.42294845    -15.77703470
  O     19.09477587      6.80516214    -12.36866967
  H     16.03412654      4.26816258     -8.22237713
  H     13.93447552      8.77907256    -10.76957249
  O     17.45184755      8.89578939     -8.45498369
  H     18.96395490     10.69706531    -16.22118197
  H     12.71563606      7.84491207    -10.86275708
  O     13.70420903      8.35897037    -15.62313998
  H     17.92128268      9.55459528    -16.18183543
  H     14.40669343     11.79460270    -14.30834582
  O     13.56334705      7.95777990    -10.41575433
  H     16.44207604      5.76682366    -15.22130149
  H     13.53259177     12.87687021    -13.63873753
  O     13.69847140     11.93806508    -13.65584040
  H     15.24042434      5.72470759    -16.16655474
  H     14.23987378      9.31946646    -16.97670508
  O     14.67445626      9.87117732    -17.65161056
  H     18.63183196      8.54360149    -12.90899323
  H     14.06078827      9.95744880    -18.37580612
          69
 Energy    -248.69647386802444     
  O      3.96522064      1.12579370     -0.38410495
  H      3.35172192      0.37747383     -0.45740455
  H     -1.58867070      4.69417453     -0.62602140
  O     -1.00582402      1.70021040     -2.43215181
  H      3.82370734      1.65622792     -1.17713073
  H      0.87116539     -2.87283364     -3.07610429
  O     -0.06354668      0.57362623      0.04025090
  H     -1.16205981      2.52061505     -1.94587261
  H     -0.14938467     -2.04913816     -2.25891289
  O     -1.79953913     -1.91695555     -1.68457126
  H     -1.85617788      1.25184278     -2.52395586
  H      1.68052971     -2.42846776      2.29974967
  O     -3.42222442      1.85381973     -0.05207793
  H     -0.38034733      0.94083721     -0.79173572
  H      2.38100002     -1.14276661      2.76421561
  O     -3.44909774      0.33684031     -2.28452767
  H      0.76306883      0.10714498     -0.14730477
  H     -4.37448791      0.19452618      2.81115725
  O      0.56955705      1.95459586      2.35476592
  H     -1.84292760     -1.89534580     -0.71963010
  H     -2.89476822      0.63204452      2.94038468
  O      4.96762460     -0.31024943      1.84030985
  H     -2.40661596     -1.22820026     -1.98101339
  H      3.59982370      2.72264244      2.35486080
  O      4.55275349      1.66207663      3.67606580
  H     -3.46103729      1.41074991      0.80500836
  H      3.37876478      2.30223069      0.89316639
  O      2.11512663      0.23952559      3.91280051
  H     -2.70417595      2.49544120     -0.01897897
  H     -0.68210457     -2.48134646      2.05817697
  O      3.00565155      2.56636199     -2.59286723
  H     -4.27827000      0.42549571     -2.74627194
  H     -0.45942195     -3.89903055      2.63152783
  O     -1.28689332      3.78947244     -0.59768182
  H     -3.52626747      0.85473505     -1.46178874
  H     -1.18617851      0.31425324      4.34496423
  O      0.78570407     -2.09963240     -2.52464768
  H      0.27868071      1.52523904      1.53746582
  H     -0.89537608      1.55133035      3.46496459
  O      2.45871322     -1.87990805      2.13973045
  H      1.38424566      2.42224545      2.13043334
  H      1.22408466     -0.30794793     -3.22748129
  O     -3.57093380      0.31361937      2.31296618
  H      4.31542705     -1.01688456      1.89807171
  H      0.47193771      1.03472649     -3.19790489
  O      3.07376444      2.92300707      1.57236256
  H      4.79722641      0.14791468      1.00528219
  H     -0.17961028     -1.84902058      4.18293621
  O     -0.08554882     -3.02181555      2.60300870
  H      4.80705797      0.95008976      3.06119430
  H      0.69599129     -0.71074200      4.72160417
  O     -1.60079093      1.08573836      3.93166772
  H      5.30910845      1.83125808      4.23088245
  H      2.26370183     -1.40724573      0.42458464
  O      1.31774635      0.62637624     -3.43787836
  H      1.52544828      0.81400221      3.40204993
  H      1.79624813     -1.51027441     -1.08978881
  O     -0.16725129     -1.13385554      4.82855167
  H      2.93844627      0.72727589      4.02582075
  H      1.99463639      3.75182828      0.21699301
  O      2.19112227     -0.93925580     -0.41981748
  H      2.44274164      1.84956409     -2.93683472
  H      1.92878763      3.49566535     -1.29816325
  O      1.43666676      3.87556306     -0.56010015
  H      3.40751559      2.98605609     -3.34878268
  H     -2.42399775     -0.93070219      1.52216623
  O     -1.69209139     -1.38386161      1.08617584
  H     -0.31811732      3.83105860     -0.50826835
  H     -1.11585835     -0.68603282      0.73646223
          69
 Energy    -248.69643544225488     
  O     14.67251816      4.62371649    -12.42287558
  H     15.33957982      3.93601909    -12.53957532
  H     14.55026221     12.63157233    -11.77018113
  O     17.40515377      9.95160722    -15.22025231
  H     14.86166058      5.06391432    -11.58199671
  H     15.05686684     11.61421566    -13.61215405
  O     18.68348423      7.86415605    -11.86824482
  H     17.55867729      9.00897753    -15.04219706
  H     15.76703883     10.56848133    -14.53424454
  O     16.02147352     10.80805231     -8.98730205
  H     17.81773974     10.13958839    -16.06005401
  H     16.43729186      9.12798139     -9.61986501
  O     12.28386624      9.83681331    -13.88048056
  H     19.16337855      7.07883389    -11.58047878
  H     16.05913821      8.47945628    -10.97123805
  O     16.86373553      2.92622845    -12.64906091
  H     18.01078615      8.03960732    -11.19412535
  H     15.09428721      7.88326607    -13.03051240
  O     12.42751860      7.18192810    -14.96471665
  H     16.54510533     11.29287547     -9.65391359
  H     14.97866400      9.41620699    -12.85241484
  O     15.12329747      5.99464689    -10.00201294
  H     16.22614557     11.19679982     -8.14127914
  H     12.21770344      6.37914374    -11.97902947
  O     13.76558272     11.72299874    -10.53197946
  H     12.29575944      8.96385196    -14.29070276
  H     12.85020268      5.14480743    -12.63410594
  O     18.66858585      4.67222226    -13.68387799
  H     13.14431264     10.23295112    -14.07237311
  H     20.47198098      5.08864370    -10.60636576
  O     17.31892360     12.09903543    -10.95468939
  H     17.03922897      2.03971113    -12.95181956
  H     18.92862624      4.99875159    -10.69066651
  O     15.08053674     13.05102287    -12.47382565
  H     17.49918398      3.51110260    -13.09982585
  H     14.96991182      5.84475729    -13.70864149
  O     14.94215020     10.77431991    -14.07712977
  H     12.20829680      6.64865016    -14.17870138
  H     14.25192270      6.81065227    -14.69636233
  O     16.58154835      8.34369532    -10.16235666
  H     11.86128930      6.88006756    -15.67018828
  H     18.89758002      9.65367057    -12.40630850
  O     15.03462168      8.58344143    -12.36827832
  H     15.73035864      6.74837679     -9.95005904
  H     18.36501535     10.46878632    -13.59537559
  O     12.09365751      5.74242800    -12.69670466
  H     14.24447728      6.39383529    -10.01821285
  H     18.02505274      7.50356193    -13.53631954
  O     19.71960538      5.37428531    -11.11720989
  H     14.38727952     11.29522654     -9.93122980
  H     16.84266999      7.02102413    -14.45328575
  O     15.10812409      6.59417033    -14.30691562
  H     13.02893662     11.11857093    -10.67882778
  H     17.18501591      3.68506840    -10.90361291
  O     18.77025918     10.55657100    -12.72607746
  H     18.44716361      5.50544095    -14.11504204
  H     16.62692765      4.76533522     -9.95072364
  O     17.76574671      7.31664756    -14.45211148
  H     19.17041395      4.90506749    -12.89172622
  H     10.67133752     10.36365057    -11.20065261
  O     17.42180096      4.26401218    -10.16777983
  H     17.89460599     11.59363937    -11.54750731
  H     11.78292171      9.98833562    -12.20880369
  O     11.57057334     10.05217209    -11.25970615
  H     16.67263540     12.54022928    -11.51697478
  H     12.31694835      8.38320633    -10.73943491
  O     12.92300047      7.63503831    -10.79029127
  H     14.77610553     13.95086412    -12.55140414
  H     13.65168297      7.95694653    -11.34306409
          69
 Energy    -248.69626375527832     
  O     10.77415452     11.87634243    -10.14553758
  H      9.91703886     12.27075358    -10.00401900
  H     17.20468851     10.35106364    -10.25232592
  O     14.24054686      8.91020755    -14.91109747
  H     10.92816856     11.87264649    -11.10702731
  H     14.32707312      9.26157422    -11.03751779
  O     11.04765310      9.00118397    -10.10318145
  H     14.27912828      9.28807996    -15.79780468
  H     14.41318814      7.77536045    -11.46928305
  O     13.71939538      6.93716615    -12.90322680
  H     14.90186049      9.38581830    -14.38777317
  H     13.43344893     16.53010898    -13.02840484
  O     13.39639459     12.71504633     -9.46781832
  H     11.71401137      8.75709214     -9.44793654
  H     13.99121932     15.37816425    -12.16425815
  O     14.14740508     10.50237172    -17.27866898
  H     10.93009858      9.95421566    -10.02950114
  H     13.39371951      7.51818848     -7.90364937
  O     10.94032538      7.56301241    -12.40562334
  H     12.76998014      7.04428456    -12.76541040
  H     13.75797511      8.23056931     -9.22770979
  O     13.91094805     10.95840558    -11.61765927
  H     13.93777989      7.45063410    -13.69138454
  H     17.67132783     12.15620403    -11.70604332
  O     16.93482504     13.71326758    -11.78613592
  H     13.81080360     12.09769595     -8.84198933
  H     18.97701399     11.32814462    -11.78206406
  O     11.46730675     11.71083853    -12.77016953
  H     12.46777572     12.47288241     -9.56484803
  H     13.62197346     13.02294762    -14.81162712
  O     15.21480703     12.36398221    -15.41487701
  H     13.25600559     10.83833646    -17.07510818
  H     12.98711112     14.21088376    -14.05650898
  O     16.70533883      9.90247489     -9.56059482
  H     14.18331684     10.36402263    -18.22107769
  H     14.14574676     14.13177030    -10.11667065
  O     14.62155527      8.38570149    -10.74918167
  H     10.25169715      6.91089302    -12.30626464
  H     14.86735540     15.45693604     -9.78845320
  O     13.70985908     15.61709191    -13.06173844
  H     10.96892140      8.06843076    -11.57391389
  H     16.75380618     10.68258840    -12.96298927
  O     13.21081306      8.29618187     -8.42431598
  H     13.07522484     11.13066429    -12.06716262
  H     15.22535112     10.77033489    -12.78138959
  O     18.02853134     11.24915465    -11.72793669
  H     13.92273964     11.54095170    -10.84936759
  H     11.92405301     12.22090918    -15.84765538
  O     12.77625224     13.38526117    -14.50874166
  H     16.81701944     14.07766617    -12.67579666
  H     11.48065257     10.74516726    -15.76649738
  O     14.59318082     14.89941811    -10.51312488
  H     16.20392870     14.06026944    -11.26706052
  H     14.07096742      9.98966264     -7.97297695
  O     15.91809870     10.57548426    -13.43152515
  H     11.37412935     10.90686247    -13.30051542
  H     15.41913927     10.56029493     -8.45588985
  O     11.75244602     11.43730907    -16.38440280
  H     11.87314964     12.37844249    -13.34129385
  H     15.39955718     15.15429355    -13.98682445
  O     14.58897922     10.80092545     -8.01584996
  H     15.54595055     11.77335301    -14.72179873
  H     15.96236156     13.98018629    -14.80669207
  O     16.22294929     14.73924952    -14.26740602
  H     14.98438571     11.80376838    -16.16454972
  H     12.48075576      9.27026599    -14.51727447
  O     11.54849954      9.46806523    -14.34516637
  H     16.16573984      9.23851821    -10.00982424
  H     11.22379399      8.77223499    -13.75945889
          69
 Energy    -248.69602609338011     
  O     14.62730078      9.35888206    -16.48971591
  H     14.23620689      9.55582714    -17.33756605
  H     11.98870028      8.90959627    -14.31951052
  O     18.21393215      8.94425611    -14.34795338
  H     13.90922852      9.40140055    -15.83611120
  H     16.88295566     10.00555294    -11.49664230
  O     16.15170190     11.54022337    -10.99698798
  H     18.94573720      8.40127677    -14.02859330
  H     17.54070995      9.15559563    -12.65264083
  O     10.76035866      7.61107559    -13.77398532
  H     17.62008377      8.34676633    -14.82664637
  H     14.13485920      8.38670188    -11.72300303
  O     17.62965233      3.67889981    -12.73901731
  H     15.95703528     12.07340688    -11.77844289
  H     15.40163808      8.83835564    -12.46887287
  O     12.07112181      5.26263530    -14.13870649
  H     15.30055584     11.37896859    -10.57242774
  H     12.35207636      3.54811211    -10.93890481
  O     16.26134452      6.95834652    -10.29104779
  H      9.83460308      7.53587608    -13.99115774
  H     13.53347162      4.38587854    -11.47260784
  O     13.44337189     11.01097408    -10.11878273
  H     11.16873789      6.75237607    -13.98499995
  H     19.58211013      6.70461700    -12.46864686
  O     18.32157248      5.31538494    -14.79770538
  H     17.98558198      2.80907133    -12.89952718
  H     20.93747073      7.07799630    -13.11145795
  O     15.40592119     12.84970895    -13.41297393
  H     17.83018767      4.21326861    -13.52829335
  H     14.58047391      7.01626420    -13.48320566
  O     12.90035356     11.72817223    -12.69838425
  H     12.98466316      5.55495317    -14.26714344
  H     14.97156652      5.55636945    -13.20354367
  O     12.75651346      9.47624585    -14.46420319
  H     12.09011319      4.77700278    -13.30499610
  H     17.20439726     10.44148006    -14.86438011
  O     17.07123331      9.10814294    -11.81184658
  H     16.63463918      7.68699241    -10.81221768
  H     15.87146877     10.52394777    -15.63894027
  O     14.48820798      8.55667308    -12.60524129
  H     15.43212904      7.30913175     -9.93938400
  H     15.87456808      7.92442529    -16.14516031
  O     12.56539955      4.30327588    -11.48146346
  H     12.96423722     11.60110482     -9.54232669
  H     15.84063781      6.78600208    -15.11353022
  O     19.99756226      7.06636923    -13.27142516
  H     13.18090497     11.23916767    -11.02820065
  H     18.43147399      5.01200620    -11.58977214
  O     14.71148240      6.15691124    -13.91210421
  H     18.98664214      5.89029197    -14.39750549
  H     17.99258994      6.19067594    -10.70080947
  O     16.48380466     11.03921442    -15.10062095
  H     17.72645374      5.89671508    -15.28580868
  H     11.87336076      6.05746544    -11.16468478
  O     16.43221760      7.26701850    -15.71376097
  H     15.65195958     13.72285982    -13.70629219
  H     11.28289795      7.27781325    -11.90101108
  O     18.74600036      5.82850748    -11.18249728
  H     15.81165115     12.22082671    -14.03624421
  H     16.06719607      4.21667582    -11.93948364
  O     11.61725460      6.98115432    -11.04752214
  H     12.70763735     11.06455245    -13.37073273
  H     15.62793754      5.46087897    -11.10743786
  O     15.29902310      4.69250270    -11.59783836
  H     13.70305379     12.17962698    -12.99250726
  H     12.92996453      7.80384668    -10.17761484
  O     13.76879727      8.21575644     -9.91671214
  H     13.40324467      9.22112806    -13.78426054
  H     13.62438572      9.16917966     -9.85458027
          69
 Energy    -248.69601805209805     
  O     12.41854332      3.07242085    -10.81874384
  H     12.40074864      3.19948750     -9.86251082
  H     11.26079040      8.14329736    -14.02101449
  O     17.78655435      5.14925373    -11.97284303
  H     12.79088085      3.89359176    -11.16692140
  H     14.32051739      5.33559415    -10.81043337
  O     13.91975326      8.33242209    -11.65785851
  H     17.47330337      4.33610489    -11.56162139
  H     14.16341689      5.12916501    -12.36116096
  O     15.67463989      9.33130294    -15.23757975
  H     17.65584884      5.05745831    -12.92478550
  H     14.62391220      2.65426805    -12.87181254
  O     18.06856140      7.59609779    -10.87632571
  H     13.72455450      8.59658092    -10.75102545
  H     13.82809324      2.13858447    -11.66061121
  O     15.19432752      4.76441560     -9.31528940
  H     13.97083776      7.36669980    -11.65119479
  H     14.54467924      8.27472354     -8.82708028
  O     16.73076421      2.83124332    -10.63855346
  H     15.99456507     10.15418744    -15.59670898
  H     13.69035514      9.46863784     -8.32966640
  O     13.10799964      8.54124188    -14.29620021
  H     16.03094423      9.26014954    -14.33269903
  H     11.39471226      6.51708382     -9.51675960
  O     15.81892924      6.65538965    -16.13970483
  H     18.99227966      7.72081244    -10.67492871
  H     12.43904184      7.25349976     -8.65433653
  O     12.75644188      3.98834005     -8.15101505
  H     17.98511913      6.70670812    -11.26549435
  H     17.08216873      8.62513041    -12.10827390
  O     17.25357786      4.85073388    -14.73774475
  H     15.74083954      4.04090673     -9.64761866
  H     15.57463076      8.88340333    -12.24751278
  O     10.45968732      7.69792621    -13.71633436
  H     14.45075026      4.39344734     -8.82225060
  H     16.74066726      7.54032468     -9.52964112
  O     13.77302508      5.54637477    -11.58025913
  H     17.26661909      2.09572598    -10.35440730
  H     15.81140845      6.45316458     -8.94879266
  O     14.65109090      2.01004427    -12.15027427
  H     16.01537778      2.46428025    -11.18836758
  H     10.77222549      7.00301258    -12.07148364
  O     13.66539896      8.69303480     -8.88333053
  H     13.87782023      8.92640533    -14.73102691
  H     11.96209446      6.20753030    -11.47385354
  O     11.86564011      6.47824255     -8.67239419
  H     13.30738042      8.54907682    -13.34810811
  H     14.09318076      4.75311080    -14.42537840
  O     16.42858077      9.06335180    -12.66426106
  H     15.83599461      7.59197757    -15.90459866
  H     15.57111245      4.37235309    -14.13702386
  O     16.02555907      7.39503929     -8.89903313
  H     14.89416162      6.38268425    -16.08516512
  H     10.40022766      4.85051148    -12.07117009
  O     11.03690897      6.44392683    -11.32630472
  H     12.39808701      4.88614849     -8.28432327
  H     10.92041601      3.41652511    -12.05157423
  O     14.66336595      4.23499651    -13.83946838
  H     12.45752726      3.69721906     -7.29431225
  H     10.45889312      4.64207661    -14.20574260
  O     10.37705814      4.02036961    -12.56872449
  H     16.82224067      5.55046335    -15.26090634
  H      9.82883900      4.75324707    -15.61257398
  O     10.51392717      5.11359995    -15.05583608
  H     17.78529855      4.34441034    -15.34653147
  H     12.25546121      5.61609276    -15.38866127
  O     13.15952713      5.95526694    -15.37721875
  H     10.36795195      6.91012153    -14.26575522
  H     13.11777130      6.83820370    -14.98238755
          69
 Energy    -248.69566631413556     
  O     11.78627524      9.69325223    -14.14677379
  H     12.17750248     10.53329012    -13.87988082
  H     19.04365567      8.25419746    -14.72039271
  O     16.46477236      6.19135465    -13.14561264
  H     12.35923614      9.33876448    -14.83961498
  H     15.11180041     11.48533468    -16.13594805
  O     16.85753846      9.50378213    -10.33201422
  H     17.36465352      6.04471838    -12.83189942
  H     15.91968560     11.69974229    -14.86134782
  O     17.29291880     10.69073381    -14.23384795
  H     15.85744580      5.99427377    -12.41998078
  H     15.81757005      7.84886357    -13.47536385
  O     13.54289259      5.77638703    -16.02990828
  H     16.06520351      9.86000328    -10.75679545
  H     16.08127796      9.34003226    -13.87285995
  O     15.08306372      8.17198884     -8.47015238
  H     17.60609225      9.82004312    -10.85365212
  H     11.31641005      8.44982352    -13.04226625
  O     14.56854435      5.81794601    -11.15974837
  H     17.61109424     10.05735558    -14.89416308
  H     10.15698754      7.67703086    -12.36946739
  O     14.47474598     10.25072051    -11.64420174
  H     17.90187991     10.67085700    -13.48686926
  H     17.63230073      7.79897178    -10.16156148
  O     17.65655663      8.66923120    -16.12383710
  H     13.30154833      5.67764366    -15.09089453
  H     17.42625425      6.39354211     -9.55917095
  O     15.93566451      5.61067260     -8.68275162
  H     13.07140513      5.09735648    -16.50432100
  H     13.41725108      5.51682319    -12.67119832
  O     16.40564903      6.21015471    -15.90873527
  H     15.72853036      8.72475412     -8.92845786
  H     12.17755755      6.30926603    -13.11959233
  O     19.53172473      8.28116788    -13.89029854
  H     14.28142762      8.19853618     -9.01038356
  H     19.26616335      9.50012032    -12.67476686
  O     15.10823672     11.98021810    -15.30984558
  H     15.00631863      5.55479325    -10.34195458
  H     19.81586982     10.66057256    -11.81130700
  O     15.39295767      8.69825112    -13.65259361
  H     14.09361471      6.63623916    -10.95346286
  H     18.83350502      6.31508218    -11.45590501
  O     11.10739773      7.71977375    -12.43169345
  H     14.74003755      9.64527234    -12.35708549
  H     19.68996858      5.21823612    -12.14336816
  O     18.04313268      6.92917580    -10.07151616
  H     14.03102666     10.98629962    -12.08010787
  H     14.29667066      8.58747095    -15.05958566
  O     12.81986923      5.65242032    -13.41606866
  H     17.25859650      7.78510476    -16.08013627
  H     13.57316245      7.61186588    -16.02200734
  O     19.01118466     10.21381890    -12.06185327
  H     17.06473076      9.17692293    -16.69184892
  H     13.52868370      8.94428812    -10.86073033
  O     19.13243083      5.97092895    -12.31857059
  H     15.61394092      6.51047416     -8.48749966
  H     12.33388499      7.98308551    -11.04477476
  O     13.72202189      8.54848793    -15.84134751
  H     15.87853121      5.11543898     -7.87057128
  H     13.85721047     12.07620035    -14.10851570
  O     13.11920735      8.14057879    -10.50684768
  H     16.46991124      6.06381442    -14.95373312
  H     12.85848014     12.95444192    -13.32034285
  O     13.19520971     12.06557080    -13.39369801
  H     15.48574122      6.01625693    -16.11797479
  H     14.77577896      9.47317634    -16.93983560
  O     15.42846289     10.01835189    -17.41229169
  H     19.44064448      7.41664269    -13.46849525
  H     15.16631866     10.02474162    -18.32955203
          69
 Energy    -248.69556758084181     
  O     13.22578164      9.64630465    -11.23068257
  H     13.33814364     10.05340913    -12.10138543
  H     12.33208339      8.08162790    -10.90939489
  O     14.31089812      9.44432094    -17.14604049
  H     13.60266849     10.23858145    -10.56771611
  H     20.53607094      7.07085641    -14.29498624
  O     16.58464311     10.90393502    -13.43834540
  H     13.94298709     10.29889326    -16.88812922
  H     19.17135931      7.73682923    -14.52169227
  O     14.91174547      4.41284428    -12.66643114
  H     13.96325832      8.80185480    -16.51461252
  H     14.58200870     12.23957688    -16.02864517
  O     15.20020561      8.70668537     -8.07717124
  H     16.79086223     10.97963961    -12.49571808
  H     13.18098686     12.80857725    -16.36529101
  O     16.32431398     12.30077325    -15.87257892
  H     15.64671685     10.68484245    -13.50927996
  H     13.07428951      7.18579251    -14.42147232
  O     15.34456360      7.82532189    -11.55309860
  H     14.96556483      4.58577386    -11.71598396
  H     14.51318441      7.60570470    -14.75713108
  O     13.80788356     10.38069792    -13.80107460
  H     15.81490179      4.50935303    -12.98757952
  H     17.23864030      9.84025697    -18.31116772
  O     17.00585462     10.93770509    -10.72506347
  H     14.60016810      7.95540845     -8.14950513
  H     16.03548203      9.69823771    -17.35050688
  O     17.66577981      5.29610205    -13.09489388
  H     16.02143075      8.46233364     -8.52422928
  H     11.93935048      5.12092813    -13.50086980
  O     18.01185882      5.46400484    -10.24698583
  H     16.66948813     11.62461336    -16.46844890
  H     13.41800001      5.28167552    -13.09495802
  O     12.08916526      7.16033078    -10.73719012
  H     16.52787464     11.98942077    -14.97933422
  H     12.69515185      6.25962537     -7.75488312
  O     19.59754130      6.90098486    -14.27564412
  H     14.60734724      8.44071335    -11.46347948
  H     12.82613915      6.73853959     -9.22070119
  O     13.63227915     12.02427930    -16.06680665
  H     15.57179288      7.74189078    -12.48699404
  H     14.63435963      5.63767487     -9.40595442
  O     13.58325539      7.83796193    -14.91528691
  H     13.67272262      9.50136547    -14.18391955
  H     15.25216577      6.28703397    -10.65757076
  O     16.97636031      9.94449125    -17.40047241
  H     13.62386980     11.01977498    -14.49982159
  H     16.71321675      8.20847012    -10.48456963
  O     12.58805078      5.76928833    -13.23572825
  H     16.20461172     11.11494680    -10.21789014
  H     17.88490735      7.43210425     -9.87274114
  O     13.33061591      6.52229436     -8.41485486
  H     17.36699099     10.12016013    -10.35990450
  H     16.79082705      7.96313676    -14.49148913
  O     15.27496454      5.48434301    -10.10921549
  H     17.85250551      5.34374573    -12.14910623
  H     16.61207474      6.55997589    -13.84689731
  O     17.41976742      8.27224482     -9.82006930
  H     18.41141444      5.73187869    -13.53567489
  H     14.75834450     10.25607978     -8.72453708
  O     16.13246613      7.33364648    -14.17193281
  H     17.05654937      5.38337684    -10.08089689
  H     14.32694653     11.73556199     -8.57042072
  O     14.55244026     11.07209811     -9.21665168
  H     18.43987940      4.80269549     -9.70859338
  H     17.81168132      9.38615616    -15.85037300
  O     18.07894437      9.14870028    -14.95267137
  H     12.22263262      6.68696109    -11.56617983
  H     17.67479969      9.79808250    -14.35725774
          69
 Energy    -248.69546764473642     
  O     15.27474320     10.07074698    -14.20325890
  H     14.73713431      9.31283362    -14.41485100
  H     19.97349062     12.15192324     -8.60785034
  O     17.75162251     15.99562583    -16.53281966
  H     15.84689654     10.23608629    -14.97488849
  H     20.85197302     17.97371816    -12.62065840
  O     19.80341085     10.40495111    -16.00559872
  H     17.22264775     16.59381966    -17.05343722
  H     20.48225637     19.35439266    -13.21010839
  O     20.15014091     14.80223457    -10.89146781
  H     17.83759024     16.39337581    -15.64479147
  H     22.61199013     14.27788670    -12.88028117
  O     15.33265283     13.93358585    -11.22708960
  H     20.39116690     10.00738453    -16.64403470
  H     21.25958355     14.03989541    -12.16468330
  O     21.21724972     11.26301148    -11.35010540
  H     20.20832055     11.24820178    -15.74225789
  H     17.25835205     10.82843875    -11.65841729
  O     16.98434303     11.79693424    -10.20916216
  H     20.02151980     14.05892808    -10.28881551
  H     16.68680789     10.24052040    -12.99632155
  O     21.71595922     17.04780399    -11.43030522
  H     19.28275228     14.99361655    -11.27525776
  H     19.44664360     15.41583014    -16.69958357
  O     20.73708863     12.83263484    -15.11842578
  H     14.51988815     14.22109316    -10.82022862
  H     20.60687538     15.09374808    -17.66520607
  O     14.76563912     12.82893318    -13.64919653
  H     15.09073870     13.53440583    -12.08237553
  H     21.45527334     16.26206036    -15.64941723
  O     16.94995979     10.75501125    -16.22646987
  H     20.87533169     10.62014924    -11.98840191
  H     21.44104980     17.41379660    -14.61659280
  O     19.68231724     12.43506466     -9.47074895
  H     21.62764430     11.96802284    -11.86370164
  H     17.90681390     16.38680716    -13.36999744
  O     20.42391244     18.41708183    -13.37511057
  H     16.45794618     12.57191335    -10.43797859
  H     18.85380694     17.52693288    -13.82720657
  O     21.89829319     13.63796884    -12.77093979
  H     17.85014508     12.10774880     -9.91548325
  H     23.13109496     16.15162933    -13.91183720
  O     17.49676832     10.46396758    -12.52429017
  H     21.18496695     16.30848437    -11.10145610
  H     24.56175125     15.96148401    -13.34783787
  O     20.36888425     15.11710151    -16.74050138
  H     22.48166573     16.65480920    -11.86599984
  H     19.11771879      9.76014055    -12.91444847
  O     22.02247869     16.80611938    -15.09230893
  H     20.64032605     13.61562135    -15.67388614
  H     19.99897854      9.72620228    -14.16870181
  O     18.09364489     16.99780319    -14.09598007
  H     21.23772741     13.08844779    -14.32927988
  H     18.11571503     12.01654413    -13.25498261
  O     23.64242746     15.78887880    -13.16567789
  H     15.24914961     13.18934695    -14.40341825
  H     19.21055819     12.78399189    -14.07663629
  O     20.02470133      9.59857517    -13.21553325
  H     14.79688379     11.87122587    -13.76400255
  H     16.93107790     14.34315072    -16.04459796
  O     18.35943684     12.87225387    -13.63335923
  H     17.90006816     10.59628906    -16.17318561
  H     17.23908123     13.29173834    -14.95146915
  O     16.63308519     13.50425347    -15.67989559
  H     16.82945384     11.71456659    -16.22943903
  H     17.96952387     14.28333505    -12.67147475
  O     17.70931606     15.05899059    -12.14807738
  H     20.21497210     11.93894014    -10.12021832
  H     16.86285815     14.83301038    -11.74483797
          69
 Energy    -248.69505898349803     
  O     17.63680828     10.63510044    -18.64447083
  H     16.79784048     10.92541385    -18.24727506
  H     16.35929024      4.11902013    -14.96892273
  O     16.10974959      6.08427857    -12.15550046
  H     17.68014950     11.03093533    -19.51128787
  H     17.38399507      6.46882034    -11.04593252
  O     17.40037675     12.49184176    -13.30819006
  H     16.22906832      5.71561027    -13.03895929
  H     18.09127631      6.20181096     -9.69597302
  O     21.53526764      9.27942832    -12.89377718
  H     15.50442305      6.83186373    -12.23647521
  H     20.81903146     10.02426728    -15.92288411
  O     15.85338886      6.72834048    -16.65322044
  H     17.90179277     13.00694820    -13.95549685
  H     21.24797985      8.56903695    -16.13209929
  O     13.55701232     11.17890555    -12.41042462
  H     17.98610404     11.76977894    -13.03922285
  H     18.40746250      8.00959055    -14.86186854
  O     14.83573502      8.62490333    -12.26147974
  H     22.41309639      9.50996041    -12.60214083
  H     17.09778348      8.85049916    -14.92048347
  O     18.96566529     13.46837363    -15.33486239
  H     21.55186914      9.29424003    -13.86771945
  H     14.42368403     11.06796451    -17.71416344
  O     20.15663760      6.79860839    -12.41307202
  H     15.51297595      7.49674805    -16.17653185
  H     15.22991039     11.66013955    -16.55202083
  O     15.29067156      8.89285593    -14.98024872
  H     16.54325533      7.05678891    -17.24823784
  H     17.77588898      9.74976175    -11.38545064
  O     19.10693304      6.29276698    -14.85790977
  H     12.75465347     11.54263731    -12.04639710
  H     17.41466991      8.56082422    -10.47998746
  O     16.61439696      5.00988332    -14.74525417
  H     14.29158949     11.50846294    -11.85960570
  H     16.34608534     12.30423797    -11.75124439
  O     18.07305002      6.79841217    -10.43970240
  H     14.23487082      9.37949374    -12.26507420
  H     16.22020286     11.13288552    -10.75289063
  O     21.44736283      9.35842685    -15.61378446
  H     15.61208499      8.90464463    -11.75345438
  H     19.87602004     10.08167816    -12.59253476
  O     18.05476659      8.90580022    -14.80850170
  H     19.72683564     13.98914625    -15.57715984
  H     18.58825342      9.75237146    -13.37596411
  O     15.28082800     11.42636030    -17.49127947
  H     19.10834124     12.58743076    -15.71763878
  H     15.94241587     11.98548638    -14.29194258
  O     17.09173632      9.41727733    -10.78484928
  H     19.52595156      6.87111041    -11.68668351
  H     14.46958927     11.58757397    -14.03662464
  O     15.77523020     11.93161379    -11.06478713
  H     20.64852986      7.62739620    -12.45512544
  H     20.96556375      6.37572003    -17.46129775
  O     18.93354435     10.27717122    -12.63575947
  H     15.10489287      8.67541135    -14.05603225
  H     20.02544474      6.71323042    -16.28123309
  O     15.13391816     11.68307049    -14.73019514
  H     15.22184002      9.85375082    -15.04071246
  H     18.80378720     10.20847704    -15.82064433
  O     20.48492893      7.09125821    -17.05220164
  H     19.50200966      6.37427729    -13.97545712
  H     18.77706698     10.86355154    -17.21918265
  O     19.21669555     10.89919108    -16.36054678
  H     18.30788043      5.75711555    -14.79147275
  H     18.80608622      7.63971969    -17.89634411
  O     17.90432924      7.79270408    -18.20052592
  H     16.29336571      5.58422432    -15.46533735
  H     17.83677780      8.73405920    -18.39683598
          69
 Energy    -248.69498158000866     
  O     13.77349605      9.44349235    -16.78653924
  H     13.24302776     10.24650309    -16.63538046
  H     13.65720763     12.07362672    -13.38397365
  O     11.69620121      7.32000094    -10.68812231
  H     14.16169788      9.52788002    -17.65313443
  H     18.42441224     10.67704359    -11.40240960
  O     14.61978816      9.00083296    -14.14513356
  H     12.62726785      7.32424795    -10.41826764
  H     17.26941198     10.42947879    -10.40560338
  O     12.78380032     12.77605883     -7.25473223
  H     11.33113370      8.15733881    -10.38495293
  H     15.81690599      8.17007721    -12.87966997
  O     12.16733871     11.56338654    -16.20425862
  H     14.47496417      9.09770210    -15.09421709
  H     16.83199454      8.72346487    -11.85987120
  O     12.14032718      8.18234305    -13.25982766
  H     13.78827884      8.66453228    -13.77714939
  H     11.92859619     15.24080836    -11.78739012
  O     14.88621656      8.65013168     -7.52289348
  H     12.99938169     13.33740646     -6.51504070
  H     11.96407045     13.93488456    -10.95687431
  O     13.81029940     10.37982842    -10.66264328
  H     13.57790144     12.72702519     -7.81699114
  H     15.13585915      7.65077194    -10.73827113
  O     12.46686897      9.96955702     -7.60578577
  H     11.27114849     11.22045519    -16.09959106
  H     14.71612266      7.86448029     -9.22931698
  O     15.15630390     13.88113071    -11.32992446
  H     12.39158990     11.97488509    -15.35930802
  H     11.39112562     11.21833170    -13.15876635
  O     11.12192375     10.22289264    -10.23451296
  H     11.64954564      9.01070439    -13.17484401
  H     10.19372857     10.48372428    -13.81214103
  O     12.76002959     12.37566617    -13.56880227
  H     11.99183743      7.70177430    -12.43476371
  H     14.39636012     11.65643357     -9.49087181
  O     17.49672289     10.46125873    -11.35170504
  H     14.93247369      8.15291162     -6.71005281
  H     15.01559160     13.05116479     -9.72390450
  O     16.29849386      7.94836223    -12.07224652
  H     14.02256718      9.09868289     -7.52485809
  H     16.12578970     11.11035640    -12.38429576
  O     12.38162498     14.40636470    -11.69963623
  H     14.27913809     10.67535558    -11.45001953
  H     15.10838156     10.53059944    -13.40211853
  O     14.38931850      7.71162378    -10.12364580
  H     14.04819105      9.45469162    -10.50970900
  H     10.22939761      9.36426777    -15.78341888
  O     10.68839104     10.57497163    -12.98786621
  H     11.84631968      9.92940929     -8.34068648
  H      8.87978977     10.07641511    -16.04329565
  O     14.79729871     12.41132731     -9.03228333
  H     12.50345931     10.89963916     -7.34727405
  H     16.21201243     11.25052875     -8.70591394
  O     15.31048117     11.31416498    -12.86486989
  H     14.24668816     14.17496163    -11.47661672
  H     16.24501056      9.78046296     -8.27293949
  O      9.72182711     10.17751612    -15.60833488
  H     15.31709926     13.18708195    -11.97696931
  H     11.05597772     12.10077726     -9.82376676
  O     16.75829992     10.45273529     -8.73611375
  H     12.07967916     10.30538936    -10.38400666
  H     11.67599025     13.04617898     -8.77952735
  O     11.26417285     13.02682264     -9.65186564
  H     10.72688010     10.30072417    -11.11360882
  H     12.19384324      8.36353018    -16.36106505
  O     11.38132420      8.05026200    -15.94645536
  H     12.59364149     13.13589368    -12.99568083
  H     11.61481201      7.87629048    -15.02310523
          69
 Energy    -248.69470197533590     
  O     11.51850784     10.65900042    -15.56538192
  H     10.90540067     11.12924397    -16.12391902
  H     16.40871618      9.09599293    -17.57426874
  O     14.99195960      6.42530216    -12.55295098
  H     12.39991512     10.76678571    -15.96628757
  H     14.76975735      9.01591101    -14.50155531
  O     17.90132849     10.27547079    -12.93347169
  H     14.84013483      7.03171645    -13.29774284
  H     13.45146736      8.16389876    -14.55472677
  O     17.71324748      8.86686137    -16.47935376
  H     14.74491971      5.55132432    -12.87538803
  H     11.66089746     11.07373837    -13.68362057
  O     11.63144858      8.04266180    -14.57985859
  H     17.80041659      9.32621299    -12.77073789
  H     11.35303155     10.28529576    -12.39771141
  O     13.53934704      8.01918173    -10.83148575
  H     17.60964217     10.72770104    -12.13267477
  H     17.46771410      8.15793771    -10.60188478
  O     15.38781861     10.68991148    -14.13039842
  H     17.93096950      8.08224437    -15.96504979
  H     17.12609674      9.52120909     -9.96720948
  O     16.33081044      5.02465104    -15.70364902
  H     18.29484709      9.56930371    -16.15758434
  H     10.36799799      8.14072312    -11.26738784
  O     14.92537132      7.83711866     -8.49637170
  H     11.47887260      8.90249852    -14.99521483
  H     11.90120477      8.26401216    -11.43025890
  O     18.40313634      6.55837479    -14.89229463
  H     11.34666308      8.11557820    -13.65978442
  H     18.89934156     10.67153008    -14.37692513
  O     14.15993379      4.16609414    -14.00466647
  H     14.02643280      7.40174023    -11.39507811
  H     19.62071394     11.68940761    -15.27565146
  O     15.64534826      9.20344183    -18.17274616
  H     13.91600767      7.94702391     -9.94237970
  H     17.95339736      7.19712735    -13.21738233
  O     14.41773917      8.12042545    -14.56858305
  H     16.32111920     10.58127037    -13.91206882
  H     16.67308087      7.12505888    -12.36800765
  O     11.73884691     11.10891112    -12.72258819
  H     14.92283834     10.74589411    -13.28473575
  H     16.66355405     12.06681257    -10.07107787
  O     17.22966803      8.58272315     -9.76846008
  H     15.81118838      5.57601177    -16.30575417
  H     15.75176831     11.13233097    -10.89876288
  O     11.04805996      8.45477185    -11.85744505
  H     15.69189773      4.61557309    -15.10965538
  H     14.62019629      7.27217518    -16.13346432
  O     19.29237709     10.79424516    -15.25636603
  H     15.78980239      8.05934670     -8.88370050
  H     14.91358756      7.53359374    -17.61249714
  O     17.53696008      7.55700749    -12.42307533
  H     15.11048964      7.40576094     -7.66709026
  H     14.03485070      9.74298622    -11.31017858
  O     16.66799467     11.27797393    -10.60690823
  H     19.22090775      6.13663548    -15.14405297
  H     13.33766223     10.98004629    -11.93168436
  O     14.64650328      6.83826674    -17.00207990
  H     17.68377317      5.96135569    -15.16593801
  H     14.51269275     10.35463122    -17.15977095
  O     14.18604109     10.65382020    -11.59652060
  H     13.84755636      3.27332496    -13.88620405
  H     14.57095055     10.99734481    -15.75748266
  O     14.01932005     10.91353374    -16.54800137
  H     13.51130241      4.61548019    -14.57591548
  H     13.12653804      5.90286454    -16.33201693
  O     12.50853409      5.56072659    -15.67138017
  H     16.00039100      9.42477826    -19.02928499
  H     12.04979127      6.33548898    -15.32212225
          69
 Energy    -248.69447148433358     
  O     16.39301075      9.22512885    -11.86781542
  H     16.61143284     10.16528826    -11.88403541
  H     13.12177778      9.68315255     -9.34105676
  O     16.06556962      6.27605106     -7.94080316
  H     17.20774178      8.70733396    -11.79912458
  H     13.20220016      9.14636268     -5.31144251
  O     16.94143493     11.93208861    -11.65269686
  H     15.96593590      7.13825079     -8.37662431
  H     14.52455360      8.66416362     -5.94881359
  O     13.32560462      6.31224071     -7.35073929
  H     16.50558271      5.72360845     -8.59557805
  H     16.72254369      3.63051754    -12.89809210
  O     14.22822096      7.85995475    -12.79509419
  H     17.76660571     11.87767143    -11.13822107
  H     17.94676428      2.69708221    -12.73721984
  O     18.46844408      7.51044588    -11.31786732
  H     17.05701032     12.63166327    -12.29026348
  H     18.30875634      6.70800880    -13.03440094
  O     19.81585363      8.95904905     -9.27596643
  H     13.28876390      7.16191289     -6.89712938
  H     18.03162159      5.25534580    -13.44687904
  O     17.00578991      5.29212912    -10.39901188
  H     14.26267213      6.14512526     -7.52404066
  H     16.83733898     12.39818202     -8.15520116
  O     12.03066431      5.93824486     -9.67010556
  H     14.52747185      7.43325764    -13.60721421
  H     17.68456113     13.16809617     -7.11110866
  O     15.45137117     12.27031405     -9.17371451
  H     14.96961791      8.41117148    -12.49886896
  H     16.43901832      6.41875307    -14.52888956
  O     12.48636488      8.60635240    -10.61639088
  H     18.99658447      7.94339414    -10.63728840
  H     15.61731604      6.60574346    -15.82455587
  O     13.62202845     10.18708720     -8.67905109
  H     17.99578712      6.77322422    -10.90260635
  H     16.09401498      8.87641776    -10.10603853
  O     13.59974273      8.89903434     -6.14255044
  H     19.19293501      9.11569212     -8.54610709
  H     15.10812291      9.23053445     -8.96945935
  O     17.64128502      3.58523962    -12.57596024
  H     20.65126512      8.72550331     -8.87783447
  H     19.44970895     10.78533615     -9.87426305
  O     18.01647021      6.16329881    -13.77568529
  H     17.33241440      4.61689681    -11.00520601
  H     18.75739972     11.98815999     -9.19706386
  O     17.68361940     12.39658144     -7.67010607
  H     16.07157614      5.42329671    -10.62651017
  H     16.22844121      7.29095613     -6.32930529
  O     15.53393352      6.45166429    -14.88722093
  H     11.23524684      5.42834757     -9.54655807
  H     16.87375823      8.66510088     -6.13121572
  O     15.92587426      8.75401596     -9.16465308
  H     12.43901814      6.04629445     -8.79175521
  H     13.56154347      5.58638580    -10.65315211
  O     19.10600636     11.67038894    -10.04069844
  H     15.76236162     12.15396264    -10.07859287
  H     14.31789634      6.40103135    -11.72790270
  O     16.18755009      8.08485897     -5.77839227
  H     14.73994926     11.63169491     -9.02981603
  H     17.18035603      9.34838865     -8.04899439
  O     14.36015018      5.59489180    -11.19311612
  H     12.95444331      8.45700975    -11.44666897
  H     17.84098618     10.58524001     -7.37917181
  O     17.88637308      9.62246043     -7.44040687
  H     12.22194556      7.73145361    -10.30628317
  H     14.70885443      4.43333692    -12.60838383
  O     15.09184382      4.03431101    -13.40258204
  H     13.46075777      9.80395819     -7.80791402
  H     15.13583054      4.75173278    -14.04685554
          69
 Energy    -248.69427360342138     
  O     13.81146904     13.42759102    -10.51474078
  H     13.42979259     12.65670396    -10.07575811
  H     11.67375593     13.82736460    -14.80782895
  O     13.46589718     11.43834691    -16.94265888
  H     14.68354380     13.56960923    -10.12279443
  H     18.26189002     13.85416984    -13.03121866
  O     15.90808020      9.20799461    -11.55143208
  H     13.09472404     10.63537300    -16.55905221
  H     19.67756779     13.49534445    -13.54282636
  O     15.10057320     16.09124275    -12.84147070
  H     14.40678045     11.27447059    -17.08254473
  H     12.27874298     10.79120452     -8.63832459
  O     15.93712302      7.22761360    -13.59364656
  H     15.97659075      8.41543672    -12.09633976
  H     12.91857595     10.42804337     -9.99910404
  O     14.59487311     12.48672130    -13.09236764
  H     16.36655452      9.90893639    -12.04059319
  H     16.64414545     10.99238831    -18.18596963
  O     13.11004698      9.47686904    -11.45693557
  H     15.09237892     15.68511463    -13.72004551
  H     16.63212792     11.83057471    -16.88745201
  O     16.67584650      9.28952740    -15.14481379
  H     14.19761466     15.99785994    -12.52017704
  H     12.55881977      8.63129958    -15.00516099
  O     17.22010028     13.23215100    -16.07008009
  H     16.49344756      6.47135353    -13.75700473
  H     11.41650020      8.84785698    -16.02056641
  O     12.23154608     11.10202460    -13.48806412
  H     16.20833687      7.92015467    -14.22546246
  H     14.88144217     10.81122113     -9.05780697
  O     12.54123029     13.92804972    -16.48465928
  H     14.40205284     12.85349226    -12.22141800
  H     15.96644763     10.15383534     -9.92930157
  O     11.32033996     13.62097953    -13.93269623
  H     13.82243226     11.96380105    -13.34614243
  H     16.31934976     12.46991285     -9.39206524
  O     18.75447915     13.28684049    -13.65356410
  H     12.77710097     10.06897030    -12.14998905
  H     16.78678556     13.75038137     -8.66309564
  O     12.96142479     11.04982080     -9.25140103
  H     14.07458079      9.42988588    -11.53442268
  H     17.71227359     11.81244686    -13.25145075
  O     16.24367773     11.04948539    -17.32248570
  H     16.86464150      9.96656304    -14.47986850
  H     16.17042860     11.67413081    -13.14407574
  O     12.18079911      9.26933206    -15.63533573
  H     16.50764637      9.77186337    -15.96120149
  H     12.87863451     14.69226026    -11.35567265
  O     15.83283748     10.79298864     -9.21706234
  H     17.82852479     13.26304163    -15.32326726
  H     11.90836170     15.89436009    -11.35073669
  O     16.40820695     13.43538444     -9.48013925
  H     16.44988199     13.75396711    -15.80313151
  H     14.08248672      7.39507058    -13.69799575
  O     17.00217008     11.17665166    -13.10993737
  H     11.78331760     11.95099187    -13.62415890
  H     12.99648266      8.07183931    -12.84247362
  O     12.44884515     15.35438361    -11.92296516
  H     12.11807308     10.56306980    -14.27923329
  H     16.56676356     15.25671858    -12.16690229
  O     13.14666666      7.63510722    -13.68891674
  H     12.19268725     14.28300752    -17.29766423
  H     17.05006713     14.27288136    -11.06676690
  O     17.30981730     14.70154845    -11.88913242
  H     12.84557754     13.02226714    -16.67987140
  H     14.12096294     14.38520452    -15.61656882
  O     14.91718562     14.42920680    -15.07424082
  H     11.68066935     14.27601164    -13.32295413
  H     14.81432421     13.75639747    -14.38354607
          69
 Energy    -248.69402545013531     
  O     11.68519823      9.64252599    -10.85792434
  H     12.08507520     10.24294937    -11.49862786
  H     13.75302468      5.15743187    -17.38330046
  O     13.57182104      7.12961527    -14.84829621
  H     11.18468677      9.00047052    -11.37636833
  H     17.30413416      6.96361214    -16.63830813
  O     17.77366182     10.19012975    -10.68775366
  H     12.90150569      7.82557802    -14.86484806
  H     16.20275919      5.89039085    -16.64621918
  O     17.47109675      8.77997232    -17.27269137
  H     14.39683994      7.54634763    -14.55414661
  H     14.15980830     11.52811830    -15.76342715
  O     11.73647923      9.16130033    -14.53762706
  H     18.26053032     10.27515745    -11.51668230
  H     14.59631074     12.97942218    -15.44294734
  O     16.05366964      6.41387180     -9.76196636
  H     18.07499675      9.36532612    -10.28425198
  H     15.64744759      8.65189456    -12.93777518
  O     13.06426147      6.06554869    -12.33991667
  H     18.18467368      9.12502281    -17.80401674
  H     16.35223337      7.42675311    -13.63446636
  O     15.24621707      9.63090299    -11.53195021
  H     17.34197786      9.40071501    -16.53793411
  H     19.02878662      7.42046821    -11.56500256
  O     14.69926892      8.55358374    -17.99848465
  H     11.17732759      8.65342856    -13.93866860
  H     19.19922587      8.29589138    -12.82268661
  O     15.44887973      4.61696737    -11.91554933
  H     12.24470170      9.77406568    -13.98264332
  H      9.86892031      6.96163413    -12.32225365
  O     16.91946093     10.34351028    -15.05721814
  H     15.88946101      5.73395294    -10.42587191
  H     11.40956349      6.89218008    -12.37311933
  O     14.35931481      5.84333909    -17.11711213
  H     15.22960123      6.91213370     -9.68828228
  H     18.33140242     10.31120973    -13.91603883
  O     17.07976431      6.09033438    -16.29563579
  H     13.78367202      5.45214692    -12.14458161
  H     19.76811160     10.73232166    -13.54031925
  O     14.70579412     12.07381158    -15.16572761
  H     13.23731866      6.38976432    -13.23642684
  H     17.25518449      5.81555216    -14.54773310
  O     15.82404598      8.22016161    -13.78620369
  H     14.79046234      9.02611320    -10.93319215
  H     18.01016610      6.27105977    -13.23859340
  O     19.17581197      7.38113882    -12.51930772
  H     16.08998506      9.89726045    -11.14065872
  H     17.61743303      7.17119612     -9.73504440
  O     10.64973361      7.48463711    -12.48868475
  H     15.64689625      8.66604733    -17.85867706
  H     18.95419579      7.34692176     -8.97911888
  O     19.04221322     10.17458756    -13.27014953
  H     14.52949500      7.61651340    -17.84798783
  H     13.65936830      9.78223891    -17.17522222
  O     17.22348383      5.81740386    -13.57895951
  H     15.63455447      3.68224285    -11.87366913
  H     12.53024345      9.99141509    -16.12352385
  O     18.48964861      7.60249606     -9.77152424
  H     16.09399106      5.00214238    -12.53535956
  H     12.94800130      8.48295458    -10.19205464
  O     13.18493662     10.45164075    -16.65980724
  H     16.50681676      9.56615781    -14.64421494
  H     13.44957719      7.20244327    -10.88970974
  O     13.64799635      7.81423952    -10.16762742
  H     16.23840432     11.02583209    -15.10098711
  H     13.98354192     10.49882874    -12.43910307
  O     13.27168944     10.88435620    -12.97272998
  H     14.00578394      6.23200517    -16.29784278
  H     13.71092491     11.42331683    -13.64018554
          69
 Energy    -248.69400177841663     
  O     18.00668917      9.15489779    -17.95926995
  H     17.99471462      8.26899780    -18.34133511
  H     17.88639953      6.57088848    -12.02468003
  O     14.63325323      6.72726942    -12.60899912
  H     17.54531741      9.08839556    -17.10719299
  H     19.58012953      7.52003392    -15.35615406
  O     17.79438269     13.72867798    -13.19535435
  H     15.51494650      6.70356597    -12.19061886
  H     20.32794272      8.85504712    -15.63570454
  O     15.14769089      6.71037010    -17.86965374
  H     14.07851523      6.12843000    -12.11666270
  H     15.89040327      9.49613443    -15.49683726
  O     14.58946917     12.34301562    -12.10053109
  H     16.93116061     14.00775666    -13.52548522
  H     17.29927693      9.34670236    -14.83993479
  O     14.51158582      9.56570774    -12.75308420
  H     18.23661198     13.30737436    -13.94253778
  H     16.65715946     10.37098225    -18.50628968
  O     18.64620834     12.08218762    -15.35676945
  H     15.21839369      6.50236377    -16.92717310
  H     15.90773768     11.55718983    -17.85403220
  O     19.31109964      6.11739685    -13.12067878
  H     14.64356475      7.52985228    -17.92888512
  H     16.12337030      9.65521601    -11.84035297
  O     14.29781025     10.33666470    -15.42713759
  H     14.41303246     11.40466379    -12.24017093
  H     17.10433323     10.58070309    -11.07457590
  O     18.46783422      6.05611371    -15.90323054
  H     15.38327993     12.38585007    -11.55249544
  H     14.49303708      9.84197378    -18.28451251
  O     15.80473223      6.46070401    -15.16471643
  H     14.35269919      9.80991831    -13.67601599
  H     13.04326208      9.37984408    -18.57129647
  O     17.09323206      6.85293309    -11.54929020
  H     14.41333375      8.60688454    -12.69784478
  H     17.50142678     12.93613352    -10.13322163
  O     20.13397073      8.20391330    -14.95160050
  H     18.57482798     11.40560390    -14.66253427
  H     17.49046751     12.88077511    -11.67841731
  O     16.72242576      9.00889431    -15.53695958
  H     19.28329148     11.71947978    -15.97993065
  H     19.12752458      9.30156821    -13.90734144
  O     15.85134195     10.90103660    -18.56131354
  H     19.90520124      6.82765711    -13.38502273
  H     18.08698475      9.78420406    -12.80751226
  O     16.97977078      9.67566627    -11.38770459
  H     19.02253034      5.74882950    -13.96413602
  H     14.82842697     13.47518976    -13.41142268
  O     13.78097883      9.24987824    -17.98069055
  H     13.95071156      9.94543034    -16.23935926
  H     14.51769044     14.85640850    -14.03677248
  O     17.17931873     12.42932643    -10.87395345
  H     14.78846834     11.13391487    -15.67709232
  H     16.91059151     12.30671281    -15.93666961
  O     18.48799210      9.98459183    -13.66141257
  H     18.38953483      6.07467262    -16.86339039
  H     15.63803481     13.10916266    -15.56769874
  O     15.09580758     14.10174254    -14.10798119
  H     17.55502901      6.06453843    -15.57952586
  H     19.50364789      9.92132500    -17.42178896
  O     15.97936799     12.43349909    -16.16788718
  H     15.33742475      6.43576927    -14.32287160
  H     20.94050914     10.45414095    -17.63024748
  O     20.27250732     10.30512216    -16.96553969
  H     16.13586978      7.36831620    -15.26515312
  H     16.77407448      6.50911979    -18.45409161
  O     17.72450667      6.46196555    -18.66759227
  H     17.20682013      7.78534708    -11.32648252
  H     17.80766461      5.89012194    -19.42553722
          69
 Energy    -248.69398265963355     
  O     16.51249321      8.51530882    -15.42602538
  H     16.52075520      9.37838928    -15.85515887
  H     11.87436939     11.42775857    -10.58000887
  O     15.36512674      8.49499596     -8.85785645
  H     16.23175192      8.65985859    -14.50689550
  H     20.29455291      3.99156024    -11.84972178
  O     16.83696408     11.20268011    -16.22526100
  H     15.82577896      7.93553896     -9.50696167
  H     18.87016327      4.22104098    -12.40882584
  O     12.83715875      8.01174064    -10.08873322
  H     15.74062739      8.29313417     -8.00478734
  H     16.05513014      6.29399225    -11.32423428
  O     15.19175668      6.12468302    -15.15306663
  H     17.61380476     11.19032067    -15.63667965
  H     17.39897744      7.07903316    -11.13526992
  O     19.09446431      8.13867693    -14.46906924
  H     17.09511618     11.66766816    -17.01619143
  H     18.84724702      5.08169189    -15.32121473
  O     19.05235760      7.33829258    -11.81841067
  H     12.55763218      8.90361607    -10.32909570
  H     19.81363966      5.14927171    -14.12471924
  O     12.51565585      5.90784209    -11.75371295
  H     13.64028996      8.12179060     -9.56594151
  H     16.40191842      4.87714033    -15.56168240
  O     15.08556723     11.84486118    -14.06663685
  H     15.69556712      6.92114916    -15.37448616
  H     16.93935767      3.75534741    -16.47520493
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  H     14.28552265      6.42647793    -14.98785292
  H     15.87249784      8.18496803    -12.11953266
  O     13.26391796      9.85674188    -13.40620692
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  O     12.43559933     10.71043158    -10.86078870
  H     19.42348014      7.27483468    -14.75742472
  H     18.36090534     11.09556600    -13.54264208
  O     19.72588856      4.65300262    -12.23432754
  H     19.37896728      6.43043164    -11.85775088
  H     19.10931484     10.03468909    -14.38149532
  O     16.48527218      7.00416005    -10.82725854
  H     19.04343769      7.66847833    -12.72958963
  H     17.83826463     10.76938007    -11.45733297
  O     19.65708141      5.50354058    -15.00829466
  H     11.75993523      5.40308516    -11.46526812
  H     16.65199083     10.29398465    -12.33682774
  O     17.13423993      4.24975084    -15.68282293
  H     12.60590250      6.65578582    -11.13666538
  H     14.22422759      5.35513660    -12.17786698
  O     15.76371873      8.83585723    -12.82033822
  H     15.59084020     11.71521489    -14.87963891
  H     15.20126877      5.58088746    -13.36098118
  O     18.81634768     10.95626582    -14.38130725
  H     15.74047868     11.88814482    -13.36209050
  H     20.03889299     10.10053237    -10.38822659
  O     17.11962974     11.08638632    -12.02535142
  H     12.86759160      8.14124542    -14.11717786
  H     19.19612301      8.95193358    -10.96278238
  O     15.14379152      5.24969108    -12.45373990
  H     12.58130553      6.76853892    -13.47909426
  H     15.74290355     11.21272932    -10.65680734
  O     19.14459600      9.85583821    -10.61571584
  H     13.79350497     10.59825229    -13.73800490
  H     15.20867667     10.23796353     -9.58580543
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  H     12.84638446     10.15976332    -12.59037320
  H     16.53863563      4.01009634    -12.61885675
  O     17.34194303      3.57142658    -12.92789069
  H     13.34061579     10.92893793    -10.57195387
  H     17.30370211      3.63089503    -13.89132348
          69
 Energy    -248.69355578040165     
  O     -2.64001047      2.87649208      4.30079453
  H     -3.26214319      3.59875652      4.42318971
  H     -2.72460553      2.47005301     -1.13323886
  O      0.90581125      3.82638101      2.58195174
  H     -2.26798388      3.04653349      3.42146669
  H     -6.47055341      3.06474903      2.10194075
  O     -1.37499619     -0.84158302      2.82242554
  H      1.58864414      4.47643115      2.72580158
  H     -5.30358671      4.11776136      2.24866633
  O     -3.86352926     -0.38850017     -2.23078358
  H      0.69591118      3.43927248      3.45165765
  H      1.39171367      2.06174836      1.92105154
  O     -1.85849170     -1.82571835     -1.15424897
  H     -1.15167195     -0.43751460      1.97127537
  H      0.88227905      0.79724347      1.18725252
  O     -4.28895774      1.20792318      1.23920367
  H     -0.60961307     -0.70965465      3.39386862
  H     -1.95779295      3.48489456      1.05954079
  O     -7.88829398      1.19658852     -0.25510744
  H     -4.61692516     -0.54148489     -1.64219614
  H     -0.84662904      4.02857818      2.01095238
  O     -3.66368921      0.33164977      3.82956862
  H     -3.87039828      0.55290776     -2.43591042
  H     -3.95783887      6.11524605      3.20098604
  O     -3.90944911      2.46706737     -2.56817424
  H     -1.52659999     -2.43338446     -1.80958296
  H     -3.22393629      4.88930621      2.61839196
  O     -5.76846945     -0.64323729     -0.22802199
  H     -2.56674880     -1.31058334     -1.58222946
  H     -5.42401159     -0.22515743      3.73940474
  O     -5.67497866     -2.66925107      1.71959907
  H     -4.10781842      0.85376941      2.11798810
  H     -6.19643904     -1.24432582      2.88717802
  O     -2.33331898      2.32167044     -0.26453589
  H     -4.81771154      2.01109224      1.35107707
  H     -0.83169115      2.62629961      4.90271693
  O     -5.75430755      3.52271867      1.63937096
  H     -7.26894070      0.45694789     -0.33106310
  H      0.36226061      1.64398281      4.78556020
  O      1.54299503      1.11489718      1.81908338
  H     -7.94656609      1.38121939      0.68870191
  H      1.27072883      0.31171734      3.34437655
  O     -1.80092964      3.99106302      1.86882112
  H     -3.35759066      1.19503584      4.13638436
  H      1.69132348     -0.56985532      4.54770770
  O     -4.00360284      5.16488781      3.13000821
  H     -2.87552122     -0.15882962      3.55649681
  H     -8.48218743      1.80676552      3.15388933
  O     -6.31071766     -0.45390308      3.42796420
  H     -4.72021124      2.72038750     -2.08883241
  H     -7.21501483      0.95655054      2.92111167
  O      0.13166326      2.57831170      4.86687215
  H     -3.93721363      2.91756823     -3.40751556
  H     -2.41580312     -2.16686902      1.97122510
  O      0.96422049     -0.06847881      4.18865779
  H     -5.84391199     -1.41831012      0.34038620
  H     -2.64628955     -2.44447233      0.47550052
  O     -7.68173668      1.76262474      2.63734199
  H     -5.25552890      0.00848167      0.27491544
  H     -1.15415932      0.99091429      0.05734645
  O     -2.98871862     -2.64103166      1.35597907
  H     -5.97448805     -3.57292860      1.76912106
  H     -0.94158659     -0.51641022     -0.22957663
  O     -0.64261104      0.21505922      0.32565404
  H     -4.70561688     -2.70050744      1.62631280
  H     -5.94122036      3.49427715     -0.25506331
  O     -6.09490100      3.13836737     -1.13846789
  H     -3.01229548      1.85836448      0.25461389
  H     -6.79938739      2.48681030     -1.01177998
          69
 Energy    -248.69346377510183     
  O     12.00389888      9.98515289    -14.63854180
  H     12.44409785     10.83613990    -14.75288831
  H     14.74395478     11.09053783    -17.68759713
  O     16.33699848      6.22962047    -13.13371548
  H     12.42342589      9.37724996    -15.26070324
  H     15.74930413      7.75035610    -14.05923889
  O     17.67641419     10.47044066    -12.00033673
  H     15.80796434      5.97264472    -12.37060360
  H     16.47188476      8.27885896    -15.30273555
  O     17.80745914     11.40861265    -16.87412967
  H     17.10904873      6.70474787    -12.79645045
  H     10.84511841      8.99393155    -11.88708175
  O     13.06825895      5.59454616    -15.40043695
  H     17.38189758     10.44336593    -11.08235224
  H     11.80088885      9.29776232    -13.06377858
  O     15.35866299     10.87187247    -13.40984325
  H     16.88757576     10.70131416    -12.51586632
  H     17.54769758      7.35901709    -10.53435843
  O     17.10869059      9.04156471    -18.31536572
  H     18.18072707     11.10972519    -16.02723736
  H     16.66738494      8.23670784     -9.62911340
  O     14.83742249      5.75600659    -10.79370659
  H     18.41922076     12.05301847    -17.22244714
  H     12.48104011      7.20944646    -12.57760178
  O     17.72878575      7.29904077    -16.32609428
  H     12.44308757      4.88706486    -15.53258891
  H     13.49714005      6.16756673    -12.06847807
  O     15.95505142      5.27458929    -15.72256527
  H     13.01641274      5.83798104    -14.45802010
  H     18.63134911     10.63477246    -13.66199839
  O     19.79456703      7.79951878    -14.65789940
  H     15.47446035     10.05762788    -13.92355382
  H     19.33723614      9.64461273    -14.60950553
  O     15.02143768     11.82453249    -17.12625828
  H     14.77509216     11.45384713    -13.90838789
  H     19.03214127      7.69948018    -12.95164464
  O     15.75212550      8.48145657    -14.69198912
  H     17.39543644      9.86567441    -17.90053489
  H     18.17853006      8.70040073    -12.13992629
  O     11.74067266      8.87020997    -12.19029510
  H     16.16860349      9.14799706    -18.50346219
  H     15.45136570     10.04722915    -10.00927246
  O     16.85717991      7.31847344     -9.86071231
  H     14.81322327      4.96477715    -10.26130317
  H     16.16431534     10.61438273     -8.75711021
  O     12.90791531      6.37350202    -12.80341428
  H     15.50180460      6.33970027    -10.38637367
  H     13.94546940      8.98052508    -17.77891587
  O     18.94417305     10.52496068    -14.56758496
  H     17.13327705      6.53689672    -16.27664768
  H     13.68979063      9.31757661    -19.26693043
  O     18.44585113      7.77106325    -12.18815682
  H     17.54427203      7.80251748    -17.13232333
  H     14.47264110     10.36007742    -11.89122067
  O     16.29905387     10.06871355     -9.52678202
  H     16.15874377      5.45136690    -14.79144846
  H     13.26833221      9.59837632    -11.31547794
  O     14.28988248      9.47415536    -18.54259055
  H     14.99369953      5.30434234    -15.76841163
  H     13.29530158     13.27311580    -14.93754383
  O     14.08937074     10.03394370    -11.06474373
  H     19.08562452      7.56408430    -15.28354165
  H     14.05071040     12.21536808    -15.78055283
  O     13.54290728     12.35316362    -14.95964271
  H     20.59766790      7.40960051    -14.99215969
  H     13.23370049      7.28893154    -16.09567522
  O     13.49621569      8.20395763    -16.25650728
  H     15.97437871     11.72989976    -17.00095127
  H     14.28751042      8.34708430    -15.71500585
          69
 Energy    -248.69342642752434     
  O     14.28313908     12.31950581    -13.61703348
  H     15.03838347     11.89491114    -13.19449583
  H     12.79340914      7.77740935    -16.37579375
  O     14.67124408      6.89881440    -14.00420991
  H     14.22466794     11.96527056    -14.51490921
  H     18.38863679      5.98809724    -15.75010484
  O     17.86522951      8.35359564    -11.73107035
  H     15.39928789      6.39547023    -13.61864402
  H     19.36316271      4.89688538    -15.24537360
  O     18.27009051      9.65066667    -16.17104328
  H     15.05788030      7.74265245    -14.28411546
  H     16.63469068      9.37758328    -15.20727286
  O     11.75728059      9.33375690    -16.10408857
  H     17.81972093      8.10392099    -10.79960187
  H     15.15117036      9.83091172    -15.19907460
  O     14.80308195      8.25173390     -8.77157991
  H     17.31573058      9.14255701    -11.83752892
  H     12.86410672     12.03470362    -12.64910579
  O     12.88388202      7.53859275    -12.00249119
  H     18.78588570     10.43567377    -16.33893818
  H     11.66993276     12.54864166    -11.80819521
  O     16.11539265     10.46558024    -12.25814704
  H     18.70615625      9.19938856    -15.42265719
  H     16.40650457      5.28420940    -11.18622345
  O     15.30737333      7.31744899    -18.38400131
  H     10.92261102      9.44913699    -16.55038097
  H     16.64264694      5.87720251     -9.78774118
  O     13.52510471      5.88837972     -9.81510634
  H     11.56678596      9.34082641    -15.14812155
  H     11.50514719     10.20763843    -12.97897588
  O     17.78381608      6.94393918    -17.07948114
  H     14.47029269      8.94941394     -9.35233017
  H     11.73768199      8.67866416    -12.92753230
  O     13.41048102      7.04593680    -16.49824995
  H     14.27831730      7.46925248     -8.98050201
  H     19.30210756      7.34333678    -14.33720318
  O     18.78452417      5.59528243    -14.95161227
  H     12.99228092      6.91264593    -11.27614642
  H     18.94762809      8.37154003    -13.23877435
  O     15.80381321      9.29304479    -14.72859231
  H     13.48488970      7.26437308    -12.71079827
  H     17.26169236      6.77001280    -12.48066470
  O     12.12755420     11.75641408    -12.07507407
  H     15.34361357     10.26852423    -11.70740857
  H     17.59193198      5.67803007    -13.53563083
  O     16.11606025      5.22489821    -10.26580475
  H     15.97516836     10.02722594    -13.11175102
  H     17.87244370      7.62117060     -8.27152492
  O     11.33494533      9.38376999    -13.45143799
  H     15.01690281      6.87586835    -19.17744947
  H     16.48811161      7.84690154     -8.92536114
  O     19.32811911      8.28401048    -14.12326705
  H     14.60922900      7.18662399    -17.71708523
  H     15.64628894      9.15433856    -18.21094489
  O     16.97710507      5.91223602    -12.82986165
  H     14.42856463      5.57130819     -9.99496275
  H     16.71875769     10.01585310    -17.53523792
  O     17.39232281      7.52222319     -9.08912865
  H     13.06977232      5.18156879     -9.36569431
  H     13.18904235     10.56954595    -11.07600896
  O     15.87129144     10.06791285    -17.98539472
  H     18.03513449      7.86312777    -16.93688245
  H     13.49171658      9.05916661    -11.24009644
  O     13.80307480      9.87312597    -10.81567508
  H     16.93416395      6.97149429    -17.53702345
  H     13.23286910     10.45233903    -16.17492345
  O     14.05664839     10.94994998    -16.08816315
  H     13.77284604      6.84177295    -15.62568610
  H     14.59998588     10.76752011    -16.86900761
          69
 Energy    -248.69306085034930     
  O     10.60440871      9.94248459    -11.32730076
  H     10.11966399      9.58072269    -12.08049968
  H     18.88205404      6.39423553    -16.16672937
  O     13.38741385      7.30929633    -15.06340583
  H     11.29708982     10.50099763    -11.70164285
  H     15.22607450     10.50399703    -14.10689185
  O     17.42099650     10.17647003    -11.35761041
  H     13.37439955      6.66465048    -14.34330153
  H     16.06974964     11.77231992    -14.07087597
  O     17.81800428      9.81070197    -16.05985386
  H     14.03653022      7.04515759    -15.73311131
  H     16.11216605      8.07313670    -13.66503348
  O     11.77998763      9.51817646    -14.86351839
  H     17.60308184     10.62266129    -12.19376615
  H     14.68379375      8.26366762    -14.23424932
  O     16.12849179      5.84325130    -10.13468486
  H     16.46416676     10.19904894    -11.22602648
  H     10.51730156      7.77622706     -9.01656219
  O     13.39635014      5.78413047    -12.73390735
  H     17.05904907      9.87121220    -16.65337447
  H     10.90107491      8.57772903    -10.28381975
  O     14.63065230      9.68146941    -11.31293585
  H     18.04230457      8.87315283    -16.03292111
  H     10.71535300      6.70534484    -11.39901847
  O     15.54547895      9.69118536    -17.80556985
  H     12.30758466      8.71336098    -14.98388713
  H     11.49882950      6.02758931    -12.54012116
  O     15.88608805      4.45804838    -12.43114919
  H     10.91645751      9.23023071    -14.54553216
  H     18.67091297     12.06858167    -14.03897316
  O     15.41755708      7.01028631    -16.87561268
  H     15.29570997      6.33174251    -10.06215813
  H     17.94422340     10.85118606    -14.65249426
  O     18.15779576      6.97332221    -15.94386335
  H     16.82685012      6.49938946    -10.24542303
  H     16.85219545      5.88337767    -13.13827010
  O     15.16219434     11.46988100    -14.17596149
  H     13.50715728      6.34298067    -11.95045438
  H     17.75549025      6.99805585    -12.53896595
  O     15.39079050      8.70595238    -13.74663707
  H     14.15203397      5.18594787    -12.73332552
  H     19.06852105      7.66434782    -10.42840988
  O     11.04474821      7.73851464     -9.80964606
  H     13.90617373     10.25186725    -11.59731893
  H     17.97428766      8.58505747    -11.01622241
  O     10.63318659      6.38330690    -12.30591457
  H     14.94121906      9.25968359    -12.13133326
  H     14.13289674     11.34295854    -15.71971308
  O     17.96643312     11.44566082    -13.88097994
  H     14.80932649     10.15316110    -17.36702564
  H     12.85138651     10.54934411    -16.03862451
  O     17.35570021      6.67788925    -13.35863875
  H     15.54213705      9.97826460    -18.71497918
  H     12.84070180      7.37716508    -10.04357796
  O     18.23665077      7.65477638    -10.89410258
  H     16.08483873      3.52995992    -12.34362992
  H     14.06020124      8.15396164    -10.60531386
  O     13.60524814     10.99054826    -16.44991126
  H     15.97895325      4.85502310    -11.54432761
  H     12.37130721     10.57207532    -13.47851476
  O     13.74263758      7.26984971    -10.36876905
  H     15.40360472      7.89168076    -17.27365672
  H     13.52801535     11.52457404    -13.15840986
  O     12.73177891     11.13457040    -12.77576290
  H     16.33446606      6.87036510    -16.61516556
  H      9.87588501      7.70332564    -13.18213625
  O      9.50008113      8.52018249    -13.55674292
  H     17.95360661      6.82130056    -15.00564551
  H      8.60906106      8.31540380    -13.82660672
          69
 Energy    -248.69299681206417     
  O     17.37580126      9.15991324    -13.05096242
  H     16.68312230      9.13840818    -12.37343942
  H     10.67885656     10.83130932    -11.23985081
  O     12.37587401      6.37655130     -9.99806644
  H     17.00972641      8.74040091    -13.84049107
  H     17.91392016      5.58433068    -11.70039535
  O     18.32140314     11.66254778    -12.63368555
  H     11.94900697      6.73307185    -10.79933987
  H     16.47479333      5.29187587    -11.23262545
  O     11.31035880      7.53513776    -12.18905524
  H     11.76597237      5.75384744     -9.61168938
  H     15.09623294      7.31324564    -11.12344797
  O     16.27840806      7.69408939    -15.11381707
  H     18.03146211     10.76765412    -12.88411839
  H     14.11233344      6.25899676    -10.54153248
  O     18.94523430      7.05321140    -12.10882964
  H     18.88285613     11.97807453    -13.33670992
  H     16.44220450     12.92431202     -8.45044017
  O     19.28043733      8.10835861     -9.52134692
  H     11.60579521      7.37848603    -13.09359664
  H     16.17353900     12.30271728     -9.84316883
  O     12.41214981      6.97461095    -14.73498753
  H     11.28706697      8.49164723    -12.06135690
  H     18.84786563      6.31461116    -13.94949293
  O     15.82014056     12.52098212    -11.52517056
  H     17.10372610      7.19599270    -15.21073405
  H     17.99080429      5.24338336    -14.64511469
  O     13.97215950      9.37268132    -15.01519085
  H     15.68040312      7.09722707    -14.64450846
  H     14.71538937      9.65726854    -11.83973335
  O     13.83332047     10.91893629    -12.75106910
  H     19.21409042      7.32909537    -11.22359865
  H     15.23386458      9.32774814    -10.40964528
  O     11.43529469     10.28484876    -11.43596773
  H     18.44272351      7.80113200    -12.46241061
  H     18.02603407     11.18615834     -9.49750669
  O     17.28396863      4.86638013    -11.54385505
  H     19.11212519      9.05604300     -9.67238822
  H     18.72766368     11.08484877    -10.85960740
  O     14.98641673      6.36643192    -10.93934787
  H     20.01636380      8.05341707     -8.91694539
  H     15.66701473      8.96432048     -8.44893018
  O     16.46232784     12.10274607     -8.93341766
  H     12.04367204      6.48416414    -15.46588509
  H     15.56454834     10.53008964     -8.58957495
  O     18.48351189      6.05771620    -14.80569227
  H     13.17970253      6.47008412    -14.41632218
  H     14.73209359      5.96249004    -12.77418800
  O     15.26170461      9.04254018    -11.33184899
  H     16.63598010     12.33432102    -12.00600806
  H     15.28388541      5.06446230    -13.91240408
  O     18.73198066     10.72375319     -9.96498485
  H     15.10831571     12.07106224    -11.99881774
  H     17.55045892      7.59289056     -8.92933536
  O     15.06611321      9.70452060     -8.62471966
  H     13.33264810      8.65073688    -14.99243986
  H     16.21689415      6.89165074     -9.26790802
  O     14.67026088      5.78651231    -13.72162857
  H     14.81630547      8.95608884    -15.22812009
  H     13.28948367      9.39886175     -8.87325771
  O     16.64388352      7.46153010     -8.62253334
  H     13.85575447     10.47161104    -13.61099688
  H     12.40551480      8.20424151     -9.29406093
  O     12.40127621      9.16050652     -9.17430697
  H     12.95411568     10.79441075    -12.37131650
  H     16.85608873      2.95729460    -14.07972393
  O     16.72616094      3.89716410    -13.98996986
  H     11.76823321      9.94849853    -10.58334636
  H     16.97050442      4.13197135    -13.07486734
          69
 Ord_Energy   -248.692902    
 O   -2.27279019      -3.78796411       4.30438232    
 H   -1.54355025      -3.22377515       3.99052286    
 H   -2.11444712      -4.66067410       3.95421219    
 O   -7.89679384       2.07895684       4.64905453    
 H   -8.23095798       1.62907720       5.43538094    
 H   -7.23957491       1.48867273       4.25681353    
 O   -1.69208682      0.296439350       8.63641453    
 H   -1.44807887      0.469492167       7.71879053    
 H   -1.92894351       1.15066743       9.01406860    
 O   -4.68243217       1.37300563       6.40663242    
 H   -3.87833309       1.89911723       6.48191261    
 H   -5.34912443       1.80378830       6.95588923    
 O  -0.912388921      0.866199911       5.94130373    
 H  -0.235005245      0.185415491       6.04293299    
 H   -1.39593732      0.638220191       5.13458633    
 O   -2.54654598       2.93433523       9.36981678    
 H   -2.03730965       3.62648797       9.78340054    
 H   -2.51160622       3.09609413       8.41071224    
 O   -3.82144690       4.14875841       4.58421993    
 H   -4.74644423       4.23251152       4.84760904    
 H   -3.80724239       3.58516574       3.80149460    
 O   -7.10765648      -1.01527846       8.13257980    
 H   -6.66874075     -0.997913778       8.99138165    
 H   -6.40995312      -1.26580632       7.51251745    
 O   -2.42337990       3.06900263       6.65852165    
 H   -1.76847816       2.43362689       6.33660173    
 H   -2.80262733       3.54879212       5.90707016    
 O   -8.64184952      0.990172088       7.18995619    
 H   -9.54146576      0.863299966       7.47917652    
 H   -8.13257217      0.228148445       7.52087402    
 O   -4.21517563      -1.77287853       4.08152628    
 H   -4.43719435      -1.69783247       5.02465820    
 H   -3.65704322      -2.55654931       4.01387453    
 O   -1.35479999      -3.03610110       6.98257446    
 H   -2.00042248      -2.82883167       7.66936684    
 H   -1.83558440      -3.35991216       6.21285343    
 O   -5.37440729     -0.863911986       10.4020414    
 H   -5.23729897       9.25877020E-02   10.2750196    
 H   -5.56630421     -0.988960445       11.3278275    
 O   -6.58196306       4.32924891       5.43209267    
 H   -7.08434057       3.57227635       5.08099079    
 H   -7.07960463       5.11371660       5.21451521    
 O   0.677241862      -1.42577100       6.18599176    
 H    1.47110021      -1.62076843       6.67590761    
 H   -2.19014306E-02  -2.00447369       6.54231071    
 O   -6.61267424       2.81937528       7.84559488    
 H   -7.39125443       2.26565742       7.69299984    
 H   -6.59609747       3.48234367       7.14379930    
 O   -3.18060040      -1.95634186       8.89400578    
 H   -2.60981441      -1.16885889       8.86103916    
 H   -3.89915323      -1.73762405       9.49857521    
 O   -5.61291838      0.643212259       3.89075279    
 H   -5.31534433     -0.270907164       3.79842305    
 H   -5.29559183      0.948200226       4.75655031    
 O   -5.06850290       1.79870808       9.97848129    
 H   -4.20362091       2.20659971       9.84772778    
 H   -5.66109896       2.23067284       9.35039425    
 O  -0.355019122      -1.98512387       3.58405972    
 H   0.155421436      -1.80387497       4.38383532    
 H  -0.874489546      -1.18741012       3.41755104    
 O   -4.73557568      -1.35080230       6.70008755    
 H   -4.65856266     -0.384718448       6.68167591    
 H   -4.17565060      -1.65588248       7.42550039    
 O   -2.22115827      0.155893117       3.59735656    
 H   -2.62851501      0.890697777       3.12652946    
 H   -2.92085814     -0.490703762       3.76999354    
 O   -3.86906576       2.20711446       2.46767640    
 H   -4.10159826       2.32931972       1.55036306    
 H   -4.57881546       1.67814028       2.87069631    
          69
 Ord_Energy   -248.692749    
 O   -6.38961506      -3.70898652      -1.07840776    
 H   -5.42699385      -3.68144679      -1.14798975    
 H   -6.58653641      -4.26368475     -0.314342201    
 O   -1.35313439      -1.70460510       4.43862200    
 H   -1.67704141      -2.56716776       4.12832546    
 H   -1.14367604      -1.81853449       5.37367487    
 O   -7.47264147     -0.384016037       1.73319995    
 H   -8.28275871      0.117569327       1.70208466    
 H   -7.21180582     -0.556569099      0.809464097    
 O   -2.39197040      -4.01360798       3.52718997    
 H   -2.08925247      -4.68361473       2.90211558    
 H   -3.01271272      -4.44538260       4.13025856    
 O   -3.11914921     -0.180905223       1.15381038    
 H   -2.18416286     -0.322525829       1.34221470    
 H   -3.56359982     -0.997583985       1.43593407    
 O   -6.95448112      -5.18215322       1.31513238    
 H   -6.13692474      -5.56653929       1.67909884    
 H   -7.59322071      -5.88934755       1.27350736    
 O   -5.32398844      -3.02636266       8.07007122    
 H   -6.11109495      -3.22308278       8.57125092    
 H   -5.59287739      -2.97268295       7.13709593    
 O   -2.95734000      -4.53058720       7.39267302    
 H   -3.71878123      -4.07712460       7.77745676    
 H   -2.27161503      -3.85880017       7.30706549    
 O   -6.67977905     -0.971618295     -0.750879407    
 H   -5.83687592     -0.645788908      -1.08405507    
 H   -6.68711281      -1.92579031     -0.919698119    
 O   -4.68866825      -6.17694950       2.42694163    
 H   -4.58717537      -6.00446463       3.37245321    
 H   -3.80566478      -6.13583183       2.04354763    
 O   -3.98876953     -0.268560380      -1.44479895    
 H   -3.61706877      0.405436546      -2.00750923    
 H   -3.64605474     -0.111493729     -0.548328280    
 O  -0.562128007      -1.11835623       1.87229204    
 H  -0.765552163      -1.26832700       2.81115556    
 H   0.323233634     -0.763569593       1.84055948    
 O   -4.18713999      -2.61528516       1.85242701    
 H   -5.07724380      -2.68189788       2.21656227    
 H   -3.59636831      -3.12271285       2.42215014    
 O   -4.29504299      -5.21547794       5.08999300    
 H   -3.77676630      -5.19351816       5.90850258    
 H   -4.88336515      -4.44880438       5.14128542    
 O   -6.81673861      -2.84809518       2.84965229    
 H   -7.16864967      -2.04281998       2.44699049    
 H   -7.02493286      -3.60743809       2.29010963    
 O   -3.62541223      -3.03097177     -0.849110603    
 H   -3.89079070      -2.95577884       8.17520171E-02
 H   -3.71201444      -2.14574480      -1.22520816    
 O   -3.46527958     -0.877253294       7.76898527    
 H   -4.13694715      -1.51233447       8.04610443    
 H   -3.70111728     -0.628325641       6.86324024    
 O   -1.13205349      -3.56757069      0.289748251    
 H  -0.920523524      -2.77091265      0.787240684    
 H   -1.90990031      -3.36126709     -0.248744801    
 O   -5.72124100      -2.81946707       5.35412264    
 H   -6.25344372      -2.84580135       4.54760647    
 H   -5.09428310      -2.08861136       5.24304295    
 O   -1.16789663      -2.20965266       7.20437384    
 H  -0.497111052      -2.08074617       7.86997461    
 H   -1.94147944      -1.68661511       7.48246384    
 O   -3.96784616     -0.703179717       5.02588797    
 H   -4.37547112     -0.135743126       4.35552216    
 H   -3.08542228     -0.944935501       4.72122145    
 O   -1.91515565      -5.85687733       1.51737297    
 H   -1.59147406      -5.09760332       1.00010240    
 H   -1.32580876      -6.58383894       1.33457375    
 O   -5.09856939      0.710361481       2.96575737    
 H   -4.41619635      0.621975720       2.28795195    
 H   -5.91955566      0.399907410       2.56582284    
          69
 Energy    -248.69249288138730     
  O     14.33029576      9.40423839     -9.92406347
  H     13.78775343      9.33641099     -9.14273053
  H     13.55055636      6.54645752    -16.99136157
  O     15.03329999      5.30389752    -12.72254528
  H     15.03974013      8.74166170     -9.83118928
  H     18.88968354      5.59165764    -16.37179020
  O     15.88200170     12.70080162    -12.76244591
  H     15.68191320      5.14853820    -12.02586826
  H     17.69142254      6.40336450    -15.83183524
  O     17.80074441     11.19639326    -14.35717988
  H     15.32207624      4.80507376    -13.50327777
  H     16.09322556      9.39334719    -16.20951377
  O     11.23768942      8.27824232    -15.60167643
  H     15.81303250     13.63889533    -12.92488242
  H     16.65523688     10.71925564    -15.65565972
  O     16.43953680      7.73008801     -9.68080226
  H     15.18310428     12.27609732    -13.28663114
  H     15.20494103      8.42295045    -13.00093282
  O     12.86192905      6.76236596    -13.80420115
  H     18.15520695     10.45968594    -13.84173713
  H     15.73941711      6.97729139    -13.03619025
  O     14.08415520     11.29576588    -14.29519702
  H     17.31531136     11.75135109    -13.73701686
  H     17.86134809      5.56290914    -11.63584644
  O     13.56917399     10.15940353    -17.72464218
  H     11.62710925      7.68374075    -14.94882852
  H     17.62848276      4.56981227    -10.47342629
  O     15.81725483      4.21369960    -15.11803990
  H     11.55129513      7.97397571    -16.46274386
  H     17.58494450      8.59510980    -12.85049140
  O     16.36932482      7.61887968    -15.92023567
  H     16.67982174      6.88835680    -10.08471136
  H     18.58341326      9.21012607    -11.83123040
  O     14.06477823      6.13766638    -16.28441705
  H     17.22106012      8.29455205     -9.73665983
  H     18.95802965      7.11065611    -12.88002960
  O     18.27287180      5.64719140    -15.64593122
  H     13.02271413      7.61569103    -13.37415289
  H     18.76765984      5.90358748    -13.82235740
  O     15.91690100     10.34262938    -16.15811781
  H     13.43182620      6.13418575    -13.34070636
  H     19.13585244     10.05079556     -9.45704708
  O     15.98214649      7.89488527    -13.21883421
  H     14.71308557     10.93303711    -14.93777008
  H     17.77129761     10.36729529    -10.11899287
  O     17.22479059      5.29011284    -10.95058803
  H     13.21804562     11.30346616    -14.72274227
  H     12.96583143      8.54493896    -18.02915765
  O     18.48656000      8.94190478    -12.75379981
  H     12.92750297     10.56742398    -17.13088034
  H     12.23293012      7.55468845    -18.96673878
  O     18.91095897      6.14553741    -12.89969918
  H     14.43548382     10.30505238    -17.32214245
  H     16.19623841     11.86193624    -11.13670084
  O     18.47366512      9.69542804    -10.04321775
  H     16.69841213      4.54144673    -15.33400196
  H     15.59153334     10.81300851    -10.16978341
  O     12.55450802      7.66322910    -18.07601526
  H     15.20148961      4.71469375    -15.67011085
  H     11.48605210     10.00801364    -15.57807667
  O     16.36904965     11.36212804    -10.32914636
  H     15.58247116      7.11452365    -16.17077161
  H     10.86756877     11.41382701    -15.76242483
  O     11.69790275     10.95429889    -15.67247459
  H     16.28722790      7.77848276    -14.96664436
  H     13.71485835      9.97251668    -13.08869489
  O     13.59319411      9.15238664    -12.59336326
  H     13.62038892      6.35653881    -15.45249589
  H     13.75958265      9.31785638    -11.65593812
          69
 Energy    -248.69229169970259     
  O     18.30756091      9.86140173    -12.28090984
  H     17.50315533     10.38871014    -12.18086656
  H     14.24867911      7.43461747    -16.51887147
  O     14.29035787      8.93967278    -17.56229436
  H     18.27042722      9.20116862    -11.57627180
  H     13.32754026      6.24203466    -11.01441352
  O     13.03234014      7.96345764    -11.50156349
  H     15.03468555      9.39074328    -17.12235021
  H     14.40258763      5.19466763    -11.43796128
  O     12.07655088      3.55637421    -12.29104235
  H     14.35332719      9.13886755    -18.49186555
  H     15.90299630      7.48841902    -13.10918557
  O     12.62810704      9.97285118    -15.44818662
  H     13.06925168      8.69138853    -10.86780694
  H     16.28585161      7.90486624    -11.66276547
  O     16.22219651     10.17605345    -16.14264594
  H     13.93749968      7.91387701    -11.85298003
  H     19.12362920      8.76472715    -15.12185099
  O     15.32245365      5.77036469     -8.63577513
  H     12.50919601      4.13785832    -11.64983748
  H     18.29947604      9.12510784    -13.86652352
  O     14.36126073      2.64501778    -13.81013317
  H     12.79267014      3.07952527    -12.72646235
  H     14.55897909      9.52782747     -9.31017695
  O     15.63153090     10.76104808    -12.10216385
  H     12.33672667      9.19164495    -14.96004627
  H     14.49684796     10.44946757    -10.54168366
  O     10.84802228      5.05316483    -14.19329247
  H     13.03640705      9.64407872    -16.25829070
  H     12.36168194      7.72587871    -13.15806875
  O     13.15205868      4.19370837    -15.67190676
  H     15.76444870     10.75999987    -15.52477744
  H     11.62345944      6.74924180    -14.12028617
  O     14.22959723      6.77444073    -15.81502115
  H     16.91630357      9.72492439    -15.64900714
  H     13.75544214     11.11639141    -14.75773068
  O     13.65210960      5.34529494    -10.84770172
  H     14.61237419      5.57562424     -9.26271703
  H     14.18225463     12.59816553    -14.65195766
  O     15.59902711      7.98059552    -12.33895995
  H     16.11907434      5.40827863     -9.04114690
  H     15.93818819      8.64222500     -7.40869311
  O     18.24871462      8.70911037    -14.74524188
  H     13.96816029      3.16529540    -14.53466056
  H     15.56008438      7.48414765     -8.36214371
  O     13.94714490     10.00837459     -9.88112302
  H     14.52431442      1.77175191    -14.15607888
  H     15.80993514      6.55615126    -15.01838646
  O     12.17309291      7.54200408    -14.08940755
  H     15.21547060     11.18277180    -12.86439266
  H     17.21444978      7.14892053    -14.64380744
  O     14.47495948     11.70803398    -14.47381401
  H     15.57623694      9.80703653    -12.26422863
  H     17.09229645      8.13001381     -9.64565043
  O     15.81684633      8.42309894     -8.32920678
  H     11.21294991      4.51837623    -13.46548001
  H     17.72215725      6.89055137    -10.34415607
  O     16.57778974      6.45349045    -14.43498181
  H      9.92310894      4.83176596    -14.26046111
  H     16.98743372      4.79247954    -11.09715676
  O     17.61466131      7.84780291    -10.40959061
  H     13.59250345      5.03108267    -15.86912267
  H     18.18967576      4.32728611    -10.24477080
  O     17.53383667      5.01526888    -10.32446470
  H     12.28880724      4.43483285    -15.31341635
  H     15.43889052      3.84260402    -12.91710422
  O     15.90053839      4.57755829    -12.49303416
  H     13.55719165      7.06023721    -15.17881707
  H     16.19520756      5.17334329    -13.19647201
          69
 Energy    -248.69207970122329     
  O      3.26096497      0.80551814      1.48125552
  H      2.87530781     -0.00169472      1.85251902
  H     -4.02269514      1.19373690      1.19071655
  O      0.70956506      4.37622623      1.92195680
  H      3.15001851      1.50616869      2.13600853
  H     -2.14609936      2.46437740      5.88668434
  O      2.55740603      2.92228454      3.22633124
  H     -0.19271561      4.36150605      2.27541431
  H     -1.21294461      1.99881939      4.74409873
  O      0.34736659      1.46036704      4.15792539
  H      0.62567126      4.43393255      0.96578164
  H      1.27487395      0.91115491     -0.93420161
  O     -2.81420197      2.39697407      0.77891691
  H      1.92627836      3.48654076      2.74090570
  H      2.10085870      1.42839319      0.28634191
  O     -3.23553363     -0.15950108      3.90544327
  H      3.13155121      3.50663102      3.71427298
  H      0.28983606     -0.18776975     -2.23616281
  O     -1.90535608      4.13950943      2.80699226
  H      1.15842230      1.94637821      3.97110742
  H      1.02248540     -1.40661074     -1.62378552
  O     -0.64347190     -1.76992319      1.42163882
  H      0.57873694      0.56356323      4.44596074
  H     -0.26843334      1.19317613      2.42911889
  O     -2.81498145     -1.02756223     -0.39362048
  H     -2.04423589      1.86492268      1.03776298
  H      0.09514000      1.25262128      0.90514493
  O      2.09610894     -1.62061586      2.28074749
  H     -2.63739083      2.73280643     -0.10784376
  H      0.03020449     -1.61374142      4.61154581
  O      3.80413866     -0.82177541     -0.86990734
  H     -3.73746412      0.02091333      3.10105418
  H      1.43964919     -1.40359345      4.02081196
  O     -4.53463924      0.40730227      1.44904445
  H     -2.95863801      0.69234729      4.26317838
  H      0.91714386      3.23744469     -0.78439329
  O     -2.12804988      2.25533719      4.95577604
  H     -2.06980106      3.61410144      3.59860210
  H      1.25265383      4.58500284     -1.46945940
  O      1.38017332      1.65125741     -0.31802671
  H     -2.34141812      3.66014061      2.09044429
  H     -2.10246269     -3.05243128      4.35603218
  O      1.16327188     -0.51133046     -1.96514019
  H     -0.68712472     -0.80009506      1.41879089
  H     -2.23869723     -1.55213447      3.99390690
  O     -0.57700481      0.97244428      1.54102494
  H     -1.01280353     -2.07189829      2.26193429
  H      4.12020383     -3.82900563      0.25491814
  O      0.86088683     -1.14121713      4.74985436
  H     -2.17450870     -1.48103902      0.16427832
  H      3.65045150     -2.40002775     -0.11330336
  O      0.57259469      4.12852997     -0.98005979
  H     -3.46245666     -0.64574589      0.20999036
  H      1.62575113     -3.22335986     -0.35745395
  O     -1.63320328     -2.31617161      3.97347764
  H      2.61316870     -2.25269472      1.76425972
  H      0.22029128     -2.68666884     -0.00163778
  O      3.42045332     -3.19801196      0.39675543
  H      1.19227764     -1.66951844      1.94347219
  H     -1.61654824      1.39368648     -2.15631136
  O      0.77905552     -2.96288360     -0.73928270
  H      3.80979503     -0.17156124     -0.15719138
  H     -1.92851774     -0.04513257     -1.68042056
  O     -1.36407930      0.47358305     -2.27261355
  H      3.00446995     -0.65574919     -1.38748565
  H     -2.33727204      3.84903449     -2.41407999
  O     -1.96836653      3.29315285     -1.73168909
  H     -5.45115058      0.60201738      1.27001661
  H     -1.09921130      3.66234429     -1.50803317
          69
 Energy    -248.69207241975306     
  O     15.78023103      5.98277584    -13.19446558
  H     16.56395295      6.07311762    -12.63557509
  H     16.53733174     10.10848811    -17.67534599
  O     18.95144314      8.99337524    -12.29963215
  H     15.08897390      6.55937768    -12.84149523
  H     17.62130856      7.64627723    -15.21873972
  O     18.16612592      7.18218098    -18.06528435
  H     18.22916597      9.48323157    -12.71448384
  H     16.40140873      7.22188655    -14.35021964
  O     15.99296972      5.30720477    -17.76153830
  H     19.69048389      9.08391221    -12.91745646
  H     13.80716639     10.72491212    -13.96934889
  O     15.61582118     10.43438715     -9.64850337
  H     17.85273150      8.09457096    -18.06239955
  H     12.95656750      9.78287189    -14.83173757
  O     13.86859615      7.82049003    -12.41298099
  H     17.38954115      6.60940004    -18.05247933
  H     17.22536792      5.99457561     -8.54933799
  O     17.06864998     10.35244508    -13.86963568
  H     16.24695693      4.93118046    -16.89901329
  H     16.34901463      6.86966816     -9.47665591
  O     19.21325666      4.75933180    -14.01090889
  H     15.85746481      4.57106860    -18.35193427
  H     11.63635674      7.56300663    -15.20564183
  O     14.83207792      7.67893843     -9.76252295
  H     16.53272162     10.10587887     -9.63882264
  H     13.15118862      7.62901033    -15.50691994
  O     19.33995452      7.09541124    -15.61108553
  H     15.54820710     11.08240302     -8.95246194
  H     20.26126266      8.51289506    -14.92474187
  O     16.67293808      4.37645999    -15.30124220
  H     14.19678916      8.73223895    -12.39966766
  H     20.13732823     10.03955752    -14.96721595
  O     17.45787229     10.02393057    -17.98533074
  H     13.26731118      7.76153117    -13.16529747
  H     17.99496559      6.28116923    -11.00011777
  O     16.71919444      7.88970119    -14.97307039
  H     17.64728213     10.82244733    -14.47993399
  H     18.52957986      7.23955820    -12.09968127
  O     13.42368394     10.62615984    -14.84939320
  H     16.85075959      9.51118322    -14.30308590
  H     17.92890593      8.36012860     -9.42188496
  O     17.25133620      6.52824914     -9.33878158
  H     19.92476512      4.19053443    -13.72725382
  H     18.51183060      9.26752583    -10.52105295
  O     12.47015806      7.86584611    -14.85508665
  H     18.92507703      5.25623929    -13.22682455
  H     14.44870513     10.47739626    -16.38717068
  O     20.57217109      9.32252358    -14.49228355
  H     14.36180717      7.60527366    -10.60255503
  H     14.66049150      9.18289730    -17.17851784
  O     18.25701498      6.32567266    -11.92884101
  H     14.97445856      8.62427839     -9.62582714
  H     15.03370119     10.56685304    -11.42382271
  O     18.07575800      9.28354743     -9.65774334
  H     19.06858838      7.00615172    -16.53750988
  H     15.62600191     10.51329654    -12.85947411
  O     14.90408586     10.11717613    -17.16076947
  H     19.38311446      6.22218331    -15.20621466
  H     19.08600514     12.10976495    -16.17782089
  O     14.80263638     10.44263084    -12.35194508
  H     17.57818702      4.33637569    -14.97257326
  H     18.41790515     10.79612382    -16.63514887
  O     18.85059264     11.23254155    -15.88425129
  H     16.17760437      4.81045442    -14.59263735
  H     15.30454337      7.66432230    -16.04947571
  O     14.55055964      7.39302755    -16.59791607
  H     17.47081034     10.34387418    -18.88455714
  H     14.86820044      6.64244552    -17.11257076
          69
 Energy    -248.69203327408033     
  O     17.53868433     11.26065705    -14.08557031
  H     17.98380491     10.81024268    -13.35346990
  H     14.17892973      6.76847948     -8.29030901
  O     15.17444724      6.19510607    -12.44226147
  H     16.83839070     11.79051743    -13.68989224
  H     15.09906928     11.08461989     -9.99335637
  O     12.14461117      9.08916993    -12.10310059
  H     15.14252072      6.03904452    -13.39419044
  H     16.59399091     11.42123442     -9.83607658
  O     19.14300041      7.06063068    -12.45794454
  H     15.45171789      7.11971741    -12.34186150
  H     16.71088006      9.17224385    -12.15204654
  O     12.03786054      7.92680009    -16.32984161
  H     12.33394024      8.16888831    -11.86471853
  H     15.33125900      9.36958903    -12.86415496
  O     15.09985062      6.17918215    -15.21740209
  H     11.45196825      9.04092434    -12.77506428
  H     17.44820653     10.19905762    -15.45202825
  O     14.03331337     10.32914850    -13.75548925
  H     18.65570836      7.01175492    -13.30074619
  H     17.91843150      9.87442546    -16.88984161
  O     16.47956561      8.25977333     -8.75956914
  H     19.96287953      6.59192145    -12.59011176
  H     11.53850045      5.91428697    -12.74118047
  O     12.53245783      5.15253149    -15.74980924
  H     12.17143004      6.97180895    -16.28945069
  H     10.68541448      6.70565198    -13.75063563
  O     14.11749503      9.42531491    -10.11360684
  H     12.92247709      8.31375421    -16.36544884
  H     16.95862486      6.59050325    -14.97548962
  O     17.19161449      6.24425745    -10.49906721
  H     14.29614980      5.69748033    -15.44894130
  H     17.73094058      7.88401221    -15.29405884
  O     13.37443575      7.02411957     -8.74240090
  H     14.93663864      7.10112695    -15.46511234
  H     12.77519651      6.45888427    -10.41893927
  O     15.75907705     11.76522767    -10.17479391
  H     13.33692392      9.99309645    -13.17397513
  H     13.53666041      6.25626381    -11.75347713
  O     15.80104348      8.85687898    -12.19427305
  H     14.33933012     11.18355692    -13.42565318
  H     10.98172072      8.41814184    -15.02148654
  O     17.38903730      9.54289388    -16.16939727
  H     15.62938126      8.58497795     -9.06958311
  H      9.58481133      8.91086228    -14.57746009
  O     11.05742858      5.83331951    -13.57661859
  H     16.72660130      7.51747373     -9.33579969
  H     18.66817251     10.59162095     -8.52016607
  O     17.78742646      7.05414900    -14.80478289
  H     12.18602281      4.36015569    -16.15094251
  H     17.58792413      9.58889014     -8.99438392
  O     12.66079732      6.43041761    -11.37668392
  H     12.00449676      5.31404666    -14.94707942
  H     15.57174303      9.10883829    -16.19377034
  O     10.41510918      8.57981385    -14.24572422
  H     14.77536376      9.18842974    -10.78979122
  H     14.40013102      9.41896226    -15.23313754
  O     18.10803742     10.36880907     -9.25876711
  H     13.28813085      9.50619115    -10.60175693
  H     15.17882447     13.51774338    -12.74893320
  O     14.66928308      8.85099866    -15.97104455
  H     17.92722129      6.46172310    -11.08407656
  H     15.52515322     12.34051567    -11.80806154
  O     15.35338269     12.58028563    -12.73561282
  H     16.47198278      5.98996463    -11.09199944
  H     18.47569547      9.94895834    -11.02785453
  O     18.46265665      9.72119306    -11.96612013
  H     13.54317276      7.91426621     -9.08042333
  H     18.82982939      8.83289365    -12.07135103
          69
 Energy    -248.69174493493819     
  O     10.13736225      9.92704137     -9.80594001
  H      9.35921711      9.69989650     -9.30464224
  H     13.67937256     13.40103394    -14.31424919
  O     14.34255512     10.38673899    -16.90158863
  H     10.85470165     10.08051973     -9.16367076
  H     17.07788370     10.09624992    -11.64408060
  O     11.80515580      8.24875930    -11.43867213
  H     13.97627787     11.27500523    -16.97874134
  H     16.58396959      9.92452236    -13.11428571
  O     15.12182949      9.67199703    -14.35520768
  H     13.58407949      9.78933119    -16.94506331
  H     11.55273041     13.59103970    -10.42471959
  O     13.20900702     13.09005407     -7.82359450
  H     11.13082505      8.71049323    -10.92654490
  H     12.53825540     14.74799684    -10.67580605
  O     12.95224921     12.96997765    -17.05586297
  H     12.62748513      8.35828551    -10.94175770
  H     15.03096633      9.23443474     -9.91452523
  O     12.37471178      9.32223260    -13.88189329
  H     14.22999357      9.44330816    -14.05842402
  H     13.93023746      9.97727740    -10.68643523
  O     13.74692840     11.59046513    -11.46271897
  H     15.04097278      9.83676976    -15.30772902
  H     18.36404277     13.12643691    -13.53916608
  O     12.29992266     10.38863998     -8.25125282
  H     12.78593944     13.56111448     -8.56495047
  H     17.55363095     12.00857381    -12.84037673
  O     15.93488960     14.50479765    -11.29387411
  H     13.01023928     13.58564310     -7.03396775
  H     10.76213023     11.64288432    -14.92559271
  O     10.98747135     12.11737637    -11.32977615
  H     13.10349929     13.63612211    -17.72286450
  H     11.66465884     12.63333293    -14.14888796
  O     12.90475818     13.97547915    -14.44559386
  H     12.91154750     13.43712966    -16.20683234
  H     14.81375660     12.18062401    -10.17437170
  O     17.26983151     10.32152344    -12.56161939
  H     12.13348153      8.87753712    -13.05653283
  H     14.79326571     12.69426879     -8.72466346
  O     12.07307123     14.27425345     -9.97755197
  H     11.97487468     10.20139356    -13.87018681
  H     15.85193567     12.67853928    -13.66601432
  O     14.09007940      9.20754124    -10.11651606
  H     14.11872216     11.90095908    -12.29613824
  H     15.03063089     11.43938986    -14.12415665
  O     17.56779550     12.96261828    -13.04133058
  H     12.80833263     11.81562969    -11.43367510
  H     11.00868711     10.36157199    -16.77734797
  O     11.10333058     11.85331043    -14.04491465
  H     12.99650254      9.94495605     -8.75349812
  H     11.37681199     11.84419349    -16.96961437
  O     15.39196586     12.43984825     -9.43744532
  H     12.61598404     11.27851226     -8.05726392
  H     16.38200504     10.92789870     -9.54961852
  O     14.96256079     12.37238662    -13.87853876
  H     15.83784783     13.90723549    -10.54141354
  H     17.46288792      9.91711560     -9.10152328
  O     10.66079236     11.25852441    -16.69187920
  H     16.58868656     14.08841453    -11.86836361
  H     13.60576791     16.47664612    -12.08139628
  O     16.76863252     10.05662860     -9.74071788
  H     10.58887588     11.37263581    -10.86255638
  H     14.40668003     15.17652313    -11.85999002
  O     13.53754234     15.52555419    -12.12626470
  H     10.82936875     12.00283056    -12.27739554
  H     11.81373390      7.83823486    -16.71273757
  O     12.02356828      8.75278769    -16.54337247
  H     12.95530780     14.62169420    -13.73302638
  H     12.12461589      8.84303358    -15.57981296
          69
 Energy    -248.69170801863851     
  O     -4.51092959      0.10996848      1.35966628
  H     -5.15172456      0.81729349      1.34652151
  H      0.72711907     -5.03171567      0.36760517
  O     -3.97634545     -1.54811780      6.55987245
  H     -4.41428289     -0.15475667      2.28942573
  H      1.82895258     -0.25051833      3.96583250
  O     -1.29667133     -0.36594563      3.85675557
  H     -4.44948319     -2.33254751      6.83161060
  H      2.18955134     -1.53918677      3.21444278
  O     -4.02948069     -0.65351682      3.94204030
  H     -3.04449382     -1.81073958      6.49669144
  H     -1.38263844     -2.75832320      1.52342677
  O      1.37796276     -3.00024533      5.88018062
  H     -0.61721670      0.31557026      3.80869833
  H     -1.23171515     -1.28362597      1.02103475
  O     -1.33234400     -2.21650424      5.90690749
  H     -1.13071621     -0.97413334      3.11926753
  H     -3.09511917     -4.45414942      1.22769448
  O      0.56045395     -5.21324945      4.21763196
  H     -4.19286983     -0.83240760      4.87847429
  H     -2.11029457     -4.46758902      2.42661450
  O     -4.61779414     -3.45856139      3.62899966
  H     -3.08156270     -0.46003071      3.88011881
  H      2.09600302     -1.77056932      0.76985869
  O     -1.96265226      0.13631364      0.06492728
  H      1.69507182     -2.31282121      5.26723092
  H      0.86952121     -2.17908289      1.61196457
  O      2.06024757     -4.97418507      1.79034769
  H      2.02914279     -3.07050814      6.57328890
  H     -5.56799218     -5.13124367      1.10445484
  O      0.11951164     -2.45648991     -1.67470296
  H     -1.27301487     -1.51169953      5.24427522
  H     -4.96034969     -4.05529954      2.03956522
  O      0.01290326     -4.83573080     -0.24866895
  H     -0.42728271     -2.51477724      6.05846374
  H      1.35041032     -1.38504750     -1.17310370
  O      2.19084362     -1.13466908      4.09301339
  H      1.07496747     -5.21212249      3.40164756
  H      2.68164346     -0.66925001     -1.50982477
  O     -0.90926389     -1.92837130      1.66347658
  H      0.93056825     -4.51842079      4.77653983
  H      0.81987276      1.28232673      2.44024415
  O     -2.16285074     -4.39077831      1.46305262
  H     -3.80758494     -3.89150448      3.93177244
  H      1.11044687      2.22948349      3.62805876
  O      1.83546393     -2.25466562      1.56237905
  H     -4.45498258     -2.51105573      3.70755267
  H     -0.32039520      0.91590626      0.46527268
  O     -4.98186148     -4.37973793      1.12068368
  H     -2.12943374     -0.31428238     -0.77383624
  H      1.14710260      0.54335232      0.18409116
  O      2.04590657     -0.80219965     -0.81277840
  H     -2.81343664      0.23042448      0.51099531
  H     -2.88963823     -1.39212536     -3.00422307
  O      0.88463257      1.32914827      3.41158546
  H      2.95563467     -5.27080071      1.64667047
  H     -3.31161464     -1.81782752     -1.57943386
  O      0.58886292      1.11148876      0.72859816
  H      2.06876710     -4.00533695      1.70656761
  H     -1.89067054     -3.63779109      4.82810893
  O     -2.55717433     -1.52154675     -2.11983116
  H     -0.79127470     -2.22369176     -1.88185742
  H     -1.18575250     -4.86100108      4.23597874
  O     -2.04037774     -4.40281710      4.25779128
  H      0.09616726     -3.31723043     -1.23012574
  H     -4.68368852     -1.37750837      0.17524701
  O     -4.61463843     -2.09458778     -0.46662629
  H     -0.78832401     -4.80936489      0.29194296
  H     -4.80537714     -2.90884933      0.01520185
          69
 Energy    -248.69166225112383     
  O     12.73553963      9.63258889    -11.43660316
  H     13.40464551      9.95599603    -10.81761472
  H     13.36228908     14.96905124     -8.86931341
  O     11.76781008      7.40020208    -14.35631608
  H     13.19599761      9.08632303    -12.08260361
  H     10.92110620     12.46071861    -10.90510939
  O     11.37060339     11.78515105    -12.48091210
  H     11.50279376      6.94227009    -15.14939322
  H     10.15182472     12.09850146     -9.60889319
  O     14.69311298     10.49960919     -9.69733449
  H     11.58466934      8.34626040    -14.50720082
  H     11.82135301      8.67672760     -7.20533404
  O     14.03836440      6.06023940    -11.08468600
  H     11.82498869     10.99980441    -12.13817373
  H     11.80724960      7.18295221     -6.80111473
  O     13.63911095     15.59550161    -11.99542453
  H     12.06620709     12.35767465    -12.83698743
  H     10.52870532     10.47206145     -7.43525341
  O     13.59180124     13.19452175    -13.32613500
  H     14.14541259     11.03567673     -9.10621148
  H     11.97362404     10.96312012     -7.23451155
  O     15.95460242     14.48195737    -10.68700321
  H     14.75153523      9.60069912     -9.34043900
  H     14.39610901      7.25381894     -9.62606764
  O     10.74688537      8.43799176     -9.94693308
  H     13.08023728      6.07501821    -11.26091639
  H     13.70340804      7.80755290     -8.36553129
  O     11.74067068     15.33222345     -9.85439756
  H     14.29398724      5.14348972    -11.02266771
  H     15.88790488     11.31960328    -12.48681619
  O     14.24238413      7.93635625    -13.15714805
  H     14.46434233     15.37258318    -11.54594803
  H     15.37948191     11.44909796    -11.02692182
  O     14.13932280     14.56223343     -8.46466827
  H     12.95596635     15.58605866    -11.31367902
  H     11.16971848     10.63965403    -14.06487740
  O     10.77028224     12.73440043     -9.98718494
  H     13.54691914     14.10839542    -13.01250525
  H     12.29666740     10.40826358    -15.08034755
  O     12.02272167      7.77538213     -7.51637017
  H     14.26919697     12.75783574    -12.79272425
  H      8.34643315     10.38548518     -8.95285765
  O     11.32825523     10.31399439     -6.91978414
  H     15.93367874     13.60002003    -11.09210664
  H      9.71466305      9.79938272     -9.36633561
  O     14.49518522      7.89403328     -8.91163945
  H     16.86294461     14.77303816    -10.71718014
  H     13.76869969     12.04968172    -14.80200744
  O     15.65040188     11.95988463    -11.80539838
  H     11.16182154      8.11184962     -9.13661553
  H     14.66051277     10.81279823    -14.94811659
  O     11.47002760     10.02828218    -14.74556173
  H     11.44442771      8.86253985    -10.47096895
  H     16.78450837      9.59438306    -14.18311358
  O      9.28346173     10.56475515     -8.95019124
  H     11.32350257     14.45661940     -9.89455324
  H     15.42099867      9.21075523    -13.56723358
  O     13.88944322     11.24658073    -15.32858272
  H     11.05447929     15.94969011     -9.61237113
  H     11.38868417      6.67919084    -12.62794624
  O     15.99821286      9.96132618    -13.78567841
  H     14.32597808      7.26373971    -12.46800565
  H     10.99047599      6.96906023    -11.15780702
  O     11.41299133      6.31844388    -11.73210814
  H     13.47312882      7.69931995    -13.69346686
  H     12.23062472     12.29045121     -8.91057252
  O     12.95404236     12.10780030     -8.29625172
  H     14.82192433     14.55802598     -9.14716824
  H     13.43868247     12.94006568     -8.19487017
          69
 Energy    -248.69149480652382     
  O     14.12901433      9.98272848    -10.86776611
  H     14.01626769     10.42529277    -11.72050074
  H     18.57421922      4.18747235    -10.61613343
  O     13.27335809      9.86325547    -16.87861400
  H     14.78034578     10.47063821    -10.34914710
  H     12.22183553      7.51396827    -10.78933135
  O     16.72267225     10.68202325    -13.90818353
  H     14.14776867      9.67069430    -17.23991845
  H     13.02339103      8.70288754    -10.22398625
  O     13.58410092      4.99555558    -12.84685544
  H     13.12130110      9.23379204    -16.16205331
  H     18.56587273      7.74021329    -14.50436443
  O     16.70616716      8.45309664     -8.58656423
  H     15.78287196     10.71691075    -13.68759183
  H     18.96260181      7.64229444    -13.01293421
  O     16.20975091     12.00902599    -16.33575874
  H     17.22063384     10.70298248    -13.07932725
  H     12.74286248     12.93659003    -16.08425175
  O     15.51261424      7.72892373    -11.83494601
  H     14.10846805      4.90952567    -12.03811471
  H     13.28091876     11.49110696    -16.23095937
  O     13.94277697     10.78265571    -13.48498390
  H     14.17938457      5.35342005    -13.51605114
  H     13.86477614      7.71959431    -14.55591075
  O     18.13488084      7.70978098    -11.03812985
  H     17.26521680      8.10057513     -9.28818548
  H     12.49766331      7.90979141    -13.86137042
  O     17.98607236     10.53379766    -11.47311548
  H     15.97018332      7.83924985     -8.47332873
  H     16.32018716      9.79553078    -18.66887087
  O     17.65969862      4.96716106    -13.54884144
  H     15.30911425     12.31024651    -16.16445085
  H     16.13280637     10.57331323    -17.34317423
  O     17.96153724      4.86908513    -10.87819942
  H     16.54712600     11.69361417    -15.48549567
  H     10.78045090      6.50820311    -12.62544137
  O     12.61635633      7.85832803     -9.98042473
  H     15.25975939      6.93569960    -11.34248564
  H     12.28212449      6.13480227    -12.62003194
  O     19.13618406      7.26821895    -13.88182407
  H     15.01873538      8.47936604    -11.48364303
  H     13.71723248      7.12369947     -8.86901731
  O     13.41126798     12.33727291    -15.76430579
  H     13.70906786     11.44551285    -14.14601437
  H     14.03783078      6.51065813     -7.48295907
  O     13.10375106      8.31178976    -14.49582351
  H     13.63461506      9.93017330    -13.82607087
  H     16.13443244      5.03512155    -10.55422718
  O     16.00630754      9.70743298    -17.77270736
  H     18.27464621      6.76303658    -10.91485338
  H     14.95355225      5.59112440     -9.68959510
  O     11.65516526      6.87310349    -12.51493808
  H     17.23626583      7.79611110    -11.39815685
  H     16.00180778      7.18982477    -14.88014879
  O     14.42280563      6.72083595     -8.32955534
  H     18.25542477      9.63368871    -11.25529132
  H     15.44706885      7.04781173    -13.44788514
  O     15.19230718      5.24973462    -10.56124644
  H     17.44101612     10.82983998    -10.73392594
  H     16.38613273     10.13271550     -8.93266604
  O     15.39462293      6.66403858    -14.33980296
  H     16.83041239      5.29214460    -13.91088478
  H     16.30179031     11.63705821     -8.56873071
  O     16.19897105     11.02055546     -9.28848699
  H     18.30447874      5.66524929    -13.74608733
  H     16.83527355      8.76314370    -16.36898528
  O     17.11696118      8.47038907    -15.49470288
  H     17.86704149      4.80733576    -11.84747104
  H     17.01068806      9.23568421    -14.90778082
          69
 Energy    -248.69091358832196     
  O     17.43105010      9.83157239    -10.70377954
  H     18.27594285      9.36243077    -10.75585522
  H     19.57025873      4.06069581    -12.86137323
  O     14.01255294      5.38581046     -7.90043482
  H     17.55049838     10.64054907    -10.18956861
  H     15.66574357      5.55607116    -10.48903446
  O     17.63218787     12.02240733     -9.00054457
  H     13.34448300      5.59476193     -8.56340554
  H     16.29215847      6.40110272     -9.35897631
  O     12.46847171      6.19367950    -10.17650329
  H     14.82061279      5.22284830     -8.40480742
  H     19.22096705      6.61158222    -13.33317551
  O     15.29384745      8.77722738    -12.11896813
  H     17.53528042     12.95649236     -9.16384121
  H     19.45670416      7.93505747    -12.59635536
  O     19.64407916      8.18866209    -10.73493288
  H     17.00777551     11.79455351     -8.28580260
  H     17.77153956      9.10542958     -5.59033666
  O     21.12700320      8.74290064     -8.42557045
  H     11.63458896      5.93538514    -10.56030788
  H     18.15852961      9.92073747     -4.33309084
  O     18.89887498      5.53902997    -10.06464374
  H     13.14961359      6.04148179    -10.85514623
  H     16.77943105      8.43268328    -15.33220169
  O     16.08784943     11.29692385     -6.93411294
  H     15.64318469      8.60641292    -13.00340607
  H     17.61231347      7.96568409    -14.11571486
  O     13.69122621      8.71352471     -9.71398235
  H     16.02252502      9.20067410    -11.64103761
  H     15.38468263      8.32224676     -8.95306211
  O     13.94333778      9.53532734     -7.00490193
  H     20.25249472      8.42902175    -10.02520012
  H     16.79672526      8.71292071     -9.44362565
  O     19.01178949      4.82039147    -12.71584903
  H     19.33624044      7.29376603    -10.53291118
  H     19.17825721     10.56108229     -6.63968243
  O     16.19342668      5.49121236     -9.68251771
  H     20.64088095      9.50534341     -8.06303558
  H     19.06433069     11.27077124     -8.00497237
  O     19.17654707      7.56996354    -13.44512008
  H     22.05178110      8.89714880     -8.25336807
  H     14.31912316      6.36316713     -6.49383801
  O     18.03284862      9.98777328     -5.27578826
  H     17.94652340      5.39645012     -9.96010907
  H     14.03158461      6.65540154     -5.00493768
  O     16.70537320      8.05027030    -14.46175829
  H     19.23741520      5.72318318     -9.17606657
  H     15.09979544      5.63788787    -12.59181671
  O     16.32218012      8.11205019     -8.85612822
  H     16.66600037     10.93517733     -6.25332775
  H     14.81227326      7.00769090    -11.92751926
  O     19.67053042     10.77402811     -7.44290551
  H     15.30046470     10.73431224     -6.95094247
  H     20.14700780      7.23292760     -7.73974593
  O     14.53258773      6.96204421     -5.75619689
  H     13.16286505      7.91209460     -9.82139971
  H     18.84549380      6.76489166     -7.04609466
  O     14.58299578      6.06767867    -11.89526008
  H     14.07980151      8.90324462    -10.57726803
  H     16.98482852      7.86074561     -7.24026968
  O     19.59347932      6.45984506     -7.57311214
  H     13.66883727      9.34191339     -7.91012052
  H     16.39557310      7.28056732     -5.95405219
  O     17.22238533      7.59925061     -6.33600030
  H     14.09213275      8.68613550     -6.57272021
  H     17.23240393      5.02122655    -13.45169875
  O     16.36375585      5.26500664    -13.79368482
  H     19.03542032      5.00213937    -11.76134728
  H     16.46190248      6.15451853    -14.15750048
          69
 Energy    -248.69036871733294     
  O     14.62353627     15.92405163    -16.50627426
  H     15.27764845     16.09837361    -15.81541070
  H     16.89842911     13.91605033    -10.08050225
  O     14.96502633     11.84670354    -14.86335657
  H     15.05165844     15.32786064    -17.13177295
  H     17.65999964     11.62791896    -13.05686497
  O     12.42098043     12.40007241    -15.70814145
  H     15.30487515     10.95930026    -15.03728125
  H     17.93852795     12.46762596    -14.35111155
  O     14.37973908      9.28395135    -17.76350090
  H     15.65738878     12.47225336    -15.11072334
  H     13.45701033     15.20254798    -13.45917849
  O     15.98737937     13.95008774    -18.08184516
  H     12.30346016     13.34392533    -15.54253287
  H     14.11496849     14.15045168    -12.54753497
  O     16.46566027     11.25246441    -11.66992101
  H     13.32435683     12.18368417    -15.42008093
  H     19.56468841      9.31473189    -15.31464674
  O     12.42336486     15.16367822    -15.12175766
  H     13.59769586      9.29740791    -17.18047964
  H     18.71759655     10.48903947    -14.79747711
  O     16.12191587     15.36905256    -10.71629514
  H     14.21391080      8.62372509    -18.43123017
  H     15.59504735     15.62653094    -13.72347238
  O     17.04906615     13.53532406    -15.51766568
  H     16.34928700     14.06578206    -18.95630828
  H     17.05163148     16.16769525    -13.68917563
  O     18.28377666     16.35781820    -12.33448472
  H     15.28831074     13.27619093    -18.15316205
  H     12.12656561     10.51199387    -15.99371170
  O     15.17636375      8.94851450    -12.83846881
  H     15.58873726     11.64434175    -11.80195441
  H     12.35180332      9.22918171    -15.16368889
  O     17.43783927     13.14900213     -9.81729355
  H     16.85909011     11.75461897    -10.94610516
  H     11.63428520     11.80144281    -13.90908405
  O     18.34250130     11.87983244    -13.69558211
  H     11.71664337     15.79274583    -15.24473735
  H     11.78856241     10.51906858    -13.07165145
  O     14.13969987     15.08940775    -12.78861171
  H     13.16636552     15.46366379    -15.67627980
  H     15.60778944      9.23355040    -16.32916425
  O     18.73060780      9.76022928    -15.43894791
  H     15.34597751     15.37597896    -11.28867081
  H     16.97623503      9.42417116    -15.57265762
  O     16.34053645     15.89498147    -14.28152767
  H     16.81255644     15.84213989    -11.19764799
  H     13.45700319      8.85483356    -13.10711504
  O     12.29828970      9.56538236    -16.06774610
  H     16.83880182     13.64549079    -16.45345832
  H     12.16978555      8.01951290    -12.92690343
  O     11.56724484     11.45897138    -13.01128617
  H     16.86346606     14.37995868    -15.08216316
  H     14.19664000     11.15934293    -18.10452030
  O     16.01659266      9.35284405    -15.46428442
  H     18.94980388     17.01574350    -12.15581114
  H     13.32977445     12.26602231    -17.47520924
  O     12.51357890      8.80617409    -13.34217304
  H     18.70780947     15.48791929    -12.22074966
  H     19.11253245     13.18138292    -12.55775653
  O     14.00321708     12.10422010    -18.14533902
  H     15.68006239      9.60198986    -12.34013502
  H     18.78297365     13.57856799    -11.10806496
  O     19.26062863     13.86867394    -11.89569398
  H     15.53976817      8.95272170    -13.73563166
  H     13.14483854     12.09002899    -12.35805588
  O     14.06374570     12.38952639    -12.34880731
  H     17.48935212     13.16423133     -8.86536852
  H     14.41937565     12.16956591    -13.22548077
          69
 Energy    -248.69010561880634     
  O     15.86760650     10.94592252    -15.21002899
  H     16.43183130     10.86233811    -15.98628976
  H     14.79124281      3.52580762    -18.59521367
  O     13.20342224      5.85840105    -17.25407349
  H     16.46380619     10.92761429    -14.45205041
  H     19.53367035      5.42283063    -16.09570598
  O     16.52767888      6.00522432    -11.80236063
  H     13.04157611      6.78076362    -17.47990302
  H     18.35743153      4.69806164    -15.43145271
  O     19.62756035      6.31463749    -17.83241932
  H     13.07112549      5.79149770    -16.29754557
  H     18.66746901      9.21493274    -16.69194122
  O     17.14485024      6.17325833    -18.92078232
  H     17.46773235      5.86577575    -11.96822366
  H     19.37566012      7.82457311    -16.81971264
  O     13.97120911      6.20654192    -10.61133098
  H     16.31828739      6.84849325    -12.23537178
  H     16.60052406      6.33029303    -15.65156565
  O     13.05933676      5.74329214    -14.48535626
  H     18.75190771      6.21897773    -18.24858680
  H     17.49778039      7.60943044    -15.70961040
  O     15.92974950      8.30509987    -13.12979964
  H     20.27250344      6.08854870    -18.49700977
  H     13.19354957      9.22644451    -14.39936881
  O     16.60019854      4.49072043    -15.74352458
  H     16.64416775      6.98235840    -18.75312367
  H     14.21768949     10.11615649    -15.16796500
  O     12.75372095      4.06963814    -12.12177217
  H     16.52422310      5.45237410    -18.75884824
  H     13.04915988      9.02002547    -16.80941630
  O     19.45631639      8.67842249    -13.44757396
  H     13.99982833      6.32146799     -9.66391283
  H     12.21449324      9.12398917    -18.10917380
  O     15.17546256      4.26962067    -18.13991383
  H     14.89118991      6.10027131    -10.89986830
  H     19.25722711      5.57735246    -13.60500496
  O     19.24950011      5.03618518    -15.26125994
  H     13.85988932      5.27674073    -14.21251338
  H     19.97028973      5.50189665    -12.23894052
  O     19.07516032      8.49560251    -16.19236281
  H     13.05259282      6.57719029    -13.99733457
  H     15.71052790      4.72349087    -12.84783661
  O     16.59294145      7.29375431    -15.58141181
  H     16.10785540      8.01140204    -14.03659177
  H     14.42570461      3.85554478    -12.93265575
  O     13.37950217      9.63721054    -15.24896365
  H     16.43823927      9.10900465    -12.97556745
  H     14.74954495      8.52945951    -18.01212280
  O     12.94592993      8.66122470    -17.71102840
  H     16.07858662      4.21540728    -14.97588388
  H     15.88409365      8.00157694    -17.09403709
  O     19.22359638      5.89489219    -12.68477040
  H     16.10270711      4.29111927    -16.54535547
  H     13.21413310      7.52302164    -11.99736428
  O     15.20298828      4.14220204    -13.43066111
  H     12.45200693      4.55382157    -12.90008308
  H     14.19806933      8.20668578    -12.94318955
  O     15.70424135      8.40175219    -17.95974607
  H     13.04562845      4.74894202    -11.49959375
  H     18.31824331      9.92655072    -13.08455814
  O     13.25305322      8.01357245    -12.82451840
  H     19.46082262      8.62292141    -14.41427510
  H     17.85947521     11.15942229    -12.26703676
  O     17.57722926     10.54211649    -12.93587364
  H     19.39268712      7.77281746    -13.12472485
  H     16.83719787      9.73857085    -17.81691291
  O     17.50573197     10.39592661    -17.55454160
  H     14.43623535      4.84394798    -17.86538220
  H     17.59708573     11.00506952    -18.28256373
          69
 Energy    -248.69005978501394     
  O      6.86455619     11.18098414     -5.07798028
  H      7.61517745     10.89836281     -4.54102513
  H      2.86344304     14.55646962     -1.04099317
  O      3.95536328      9.49133322      1.29751036
  H      6.89281303     12.14495010     -5.11380253
  H      8.48115730     11.49829204     -1.96529476
  O      3.82857601     12.86606364     -5.45387690
  H      3.69862333      9.42237568      2.21328119
  H      7.60368502     11.39242311     -0.70925129
  O      4.60171608      7.70831190     -3.33497921
  H      3.44844798     10.22950084      0.91832422
  H      5.69646131     10.57281691     -0.91043740
  O      6.31728580     13.96018618     -4.94350232
  H      3.13353826     13.10079713     -4.82080778
  H      5.62862319      9.83692032      0.43762135
  O      4.60738355     11.51822316     -2.01470616
  H      3.96732229     11.91725109     -5.36911385
  H      6.07885308     17.40676059     -5.91884180
  O      0.84651485      9.63300582     -1.49191208
  H      4.42129640      6.83993813     -3.68596587
  H      5.07214329     16.71770730     -4.96479281
  O      4.40092062     10.21887802     -4.53486232
  H      4.09020446      7.78940903     -2.51010496
  H      6.96868056     13.25823508     -1.84124538
  O      1.70818556     13.47534749     -3.78713396
  H      5.43614771     13.59394131     -5.11924924
  H      6.35335087     13.88870703     -3.14371792
  O      1.59706517     10.67628522     -3.85101932
  H      6.28875785     14.87054185     -5.26049417
  H      9.73184091      9.85158530     -3.53047887
  O      1.51100931     15.97119899     -5.06091495
  H      4.52621827     11.10149524     -2.87952716
  H      8.31826381      9.51951054     -2.99374637
  O      2.06338287     14.02429352     -1.13643907
  H      5.11757504     12.33187794     -2.12312347
  H      3.48959246      8.36954138     -0.23854410
  O      8.09792348     12.02187340     -1.25018997
  H     -0.09076365      9.46101050     -1.48556120
  H      2.30522870      8.47859245     -1.21452503
  O      6.24019652     10.10833142     -0.25488067
  H      1.06380354      9.98333017     -2.37549681
  H      4.19482606     15.73626215     -6.68989955
  O      5.66097560     16.57175508     -5.72820951
  H      4.45102054      9.30981345     -4.21172956
  H      3.54052390     14.34421311     -6.62133899
  O      6.22914888     13.77763110     -2.19110242
  H      5.30465510     10.48557251     -4.77833622
  H      4.84729007     16.04878814     -0.45263613
  O      8.87942330     10.23551661     -3.34393182
  H      1.46985814     14.30811925     -4.21138300
  H      5.13025298     14.93989696     -1.49223880
  O      3.14949492      8.03049749     -1.07386498
  H      1.80830166     13.66006616     -2.84075440
  H      6.36733557      8.10268014     -2.68687463
  O      3.38594731     15.25542678     -6.90556103
  H      1.52496910     11.64132918     -3.87565274
  H      6.89967208      8.89162065     -1.47597322
  O      4.45275966     15.55971044     -1.17054921
  H      2.47132632     10.45828045     -4.19020194
  H      1.87968450     10.86256094     -0.53634803
  O      7.17747342      8.42436417     -2.27681444
  H      0.80671652     16.50900835     -5.41233494
  H      3.27359269     11.47282322     -0.83662419
  O      2.58634998     11.39949189     -0.15350908
  H      2.10770097     15.76584286     -5.80286127
  H      4.01522920     16.42426450     -2.80935486
  O      3.90030698     16.81723682     -3.68233199
  H      2.19604508     13.21949403     -0.62141279
  H      3.01937693     16.57366311     -3.99062782
          69
 Energy    -248.68984505307509     
  O      0.56223778     -2.32345279      1.30360273
  H      0.45094701     -1.37293633      1.46291286
  H      3.77810261      0.68601080      1.28451613
  O      3.27889884      2.32565331      1.03637337
  H      0.74577683     -2.70191559      2.17266653
  H     -1.98524483     -4.10003613      0.44673339
  O     -1.27888181      1.37309696     -3.77891651
  H      2.48613642      2.27869354      0.48334779
  H     -1.01688726     -2.96470673      0.86536098
  O      2.29940624     -1.38599610     -0.67757795
  H      3.07601655      2.97004528      1.72428733
  H     -3.43370642      3.04663735     -2.06583316
  O     -1.38863594      3.49072399      0.24791246
  H     -0.88793116      1.48116626     -4.64268121
  H     -2.09950758      2.82319109     -2.79840303
  O     -2.05166292     -0.81735844     -0.74214425
  H     -0.63724156      0.87429171     -3.24636058
  H     -5.73248750      2.16573236     -1.06899714
  O     -2.01925436     -2.13284983      3.44720367
  H      1.74083410     -1.90699900     -0.08501213
  H     -4.34734599      1.71474784     -0.55406778
  O      0.81183949      1.90971830     -0.16326276
  H      2.94349646     -0.97245069     -0.09125999
  H     -1.65721067      2.64876489      5.56187019
  O     -2.36621320      0.56893592      3.24843757
  H     -1.79124964      3.66465629     -0.61492106
  H     -1.66297338      1.77168668      4.28797650
  O      0.76389197     -2.85227588      4.02623201
  H     -0.55605458      3.02747512      0.06853742
  H      0.76406953      0.69290051      2.71976279
  O      2.34326795      4.00879515      3.11162222
  H     -2.17141180     -1.67571946     -0.32110575
  H     -0.71336406      0.41159920      2.37054345
  O      3.98141801     -0.25981250      1.39784135
  H     -2.64805153     -0.74615691     -1.50453245
  H      1.06674171     -0.55619527     -1.70844232
  O     -1.95593067     -3.19394657      0.74368884
  H     -1.12446677     -2.36166168      3.72796130
  H     -0.47600911     -0.39541494     -1.55582254
  O     -2.57592202      3.45156243     -2.24172438
  H     -2.14983499     -2.56356559      2.59417690
  H     -2.87618319      0.37327348     -3.34821528
  O     -4.85748246      1.91714679     -1.35572346
  H      0.60352943      1.36257703      0.61038507
  H     -4.15042739      0.54400298     -2.49625170
  O     -1.15684848      2.44441137      4.77626153
  H      0.70658767      1.33223411     -0.92867928
  H     -0.77299585      4.12012476      1.88717354
  O      0.18518944      0.35728524      2.02323732
  H     -2.79999942      0.79258612      2.41393622
  H     -0.72592166      3.73577104      3.39190676
  O      0.29665459     -0.07504705     -2.04549512
  H     -2.36975836     -0.39277545      3.36863022
  H     -2.66379893      0.57937379      0.21207330
  O     -3.57311546     -0.11971025     -2.89555003
  H      1.04705600     -3.52341109      4.64118952
  H     -2.49364061      2.08843063      0.59014440
  O     -0.31733929      4.29533330      2.72126717
  H      1.45284219     -2.16253928      4.03297491
  H      3.13184235     -0.77385505      3.03117266
  O     -3.07342508      1.31821559      0.68748753
  H      2.71011723      4.81743144      3.45805126
  H      2.36107872     -0.05874181      4.16262981
  O      2.66111321     -0.92673308      3.86023372
  H      1.40560519      4.18779348      2.91451695
  H      0.61869884      1.83786093      4.57121515
  O      1.48588032      1.57112650      4.23963332
  H      4.92831373     -0.34355011      1.31341178
  H      1.90808896      2.37660204      3.91374361
          69
 Energy    -248.68977798264018     
  O     -2.03942374      0.38820091      1.23216747
  H     -2.17949402      1.07898246      1.89304483
  H     -1.09922506     -4.09471822      1.05094625
  O     -0.13931229      0.20147812      3.95950897
  H     -1.92888481     -0.42920795      1.73251561
  H     -5.13958013      0.89169036      5.03671788
  O     -5.41212531     -1.08713477      0.56554396
  H     -0.75348412      0.94300934      3.85966123
  H     -4.62932228     -0.03997754      3.91526882
  O     -2.32954745     -5.42474888      1.26262142
  H      0.59074700      0.35880481      3.35103674
  H     -3.07886495      1.78100162      3.75991309
  O     -3.42436974     -4.38486794     -1.21210936
  H     -4.78313971     -0.73957592     -0.08400299
  H     -2.37190998      2.85617564      2.86294675
  O     -3.51733407      2.58702653     -1.82240454
  H     -5.69477240     -1.95196168      0.24577514
  H      2.00795329     -0.58086262      1.62335792
  O     -4.62767063     -4.35390569      2.23579493
  H     -3.12888040     -5.05945188      1.68324917
  H      2.88525614      0.52220738      2.25659069
  O     -1.71126723     -2.17119809     -1.42343557
  H     -2.27016508     -6.33661095      1.53423075
  H     -0.57964151      0.98652977      0.40529142
  O     -1.00942636      3.64565174     -0.83290834
  H     -2.82751580     -3.65732441     -1.43532787
  H      0.92816432      1.16658529      0.66881451
  O      1.91108368     -2.22650038      0.83182213
  H     -3.00239566     -4.86312064     -0.48901195
  H     -5.48543339      2.84527422      0.74787672
  O      0.77019076     -0.95611053     -1.56556517
  H     -2.66020739      2.96966729     -1.60048956
  H     -5.90837959      4.21831093      0.17843406
  O     -0.61254035     -3.27781688      0.87937706
  H     -4.14135367      2.96990725     -1.19162175
  H     -1.09767344     -1.19972831      3.41161450
  O     -4.70478613      0.89042278      4.18736607
  H     -4.62961723     -3.51843972      2.71786939
  H     -1.24111124     -2.35336525      2.34063871
  O     -2.22471660      2.07458509      3.41915422
  H     -5.18303685     -4.21085609      1.45861491
  H     -6.56903049     -4.14479815     -0.77546442
  O      1.99498485      0.32383305      1.97471979
  H     -0.85804071     -1.78131737     -1.66018870
  H     -5.03482590     -3.95835887     -0.68729847
  O      0.23563847      1.34669636      0.02214071
  H     -2.35306598     -1.44742901     -1.39756495
  H     -2.97126213      0.13677607     -0.21812196
  O     -5.16667619      3.62470139      0.25887097
  H     -0.48253556      2.86831103     -0.58553103
  H     -3.53072158      0.81282611     -1.48750717
  O     -1.72117660     -1.78681475      2.95608382
  H     -0.42354668      4.23556694     -1.30088281
  H     -2.03969427      3.96590267      0.76306091
  O     -5.88088211     -3.73407541     -0.25934401
  H      2.55279690     -2.93023723      0.77136664
  H     -3.53026589      3.93695075      1.13422039
  O     -3.44092007     -0.04387625     -1.04860236
  H      1.03911485     -2.65294718      0.89283704
  H     -5.59970133      1.35341091      2.55413246
  O     -2.64356102      3.98045040      1.51480349
  H      1.31222982     -1.40616797     -0.90920499
  H     -5.90907434      0.58209557      1.25368747
  O     -5.95469954      1.45569436      1.66372726
  H      0.59372465     -0.08418751     -1.18758462
  H     -4.73494688     -1.44115180      2.23344538
  O     -4.43899612     -1.63811656      3.13515308
  H     -1.01901534     -2.86799679      0.10057168
  H     -3.47331946     -1.73408436      3.11861119
          69
 Energy    -248.68971654102739     
  O     18.02208322      9.97460951    -14.93023197
  H     17.98653401      9.00178341    -14.91071298
  H     15.89633137      4.51087983    -14.09449866
  O     16.56419251      4.96468121    -15.80752110
  H     18.86355494     10.20752116    -15.31393360
  H     13.10908791      9.37278660    -10.30715957
  O     12.34891237      8.13202073    -13.12913164
  H     15.65042924      5.20894681    -16.04318385
  H     12.55217242      8.34517952    -11.33430451
  O     12.24261553      5.92601212     -9.36887576
  H     16.86645833      4.35738727    -16.47756129
  H     15.38065541      9.50663670    -13.32893207
  O     13.98914480      5.66682006    -16.21414840
  H     11.90205782      8.64171917    -13.81528324
  H     15.57219260      7.97570561    -13.18305630
  O     15.59270305     10.81832043    -16.31435891
  H     13.29251015      8.34599675    -13.21804697
  H     17.52556104      6.53970247    -15.21662819
  O     13.97444960     10.96177550    -10.25635806
  H     12.33344290      6.84837149     -9.64570070
  H     17.66894041      7.11207847    -13.80102986
  O     14.94054030      5.14870122     -8.64789842
  H     13.08264218      5.68703036     -8.96030608
  H     10.84080687     10.00529201    -15.81531382
  O     14.03463172      8.44922827    -16.17272089
  H     13.97250456      6.62638326    -16.33919719
  H     12.16719995     10.49122330    -15.18040989
  O     11.82542355      4.09624165    -11.33004176
  H     13.45023089      5.49128635    -15.43313453
  H     13.59744233     12.11369763    -14.11088511
  O     14.57741612      3.51212218    -10.77361368
  H     16.43468456     10.56925671    -15.91840074
  H     14.14314848     11.54073153    -15.44232872
  O     15.44907101      4.52057068    -13.23973834
  H     15.13951562      9.98689869    -16.50871370
  H     12.59986899      6.34468873    -13.45386216
  O     12.86342867      8.44357704    -10.42412579
  H     13.96158551     11.59579243    -10.98352512
  H     12.39726345      4.91166034    -12.90672490
  O     14.98712970      8.65392940    -13.54392290
  H     14.90628134     10.77181753    -10.09958855
  H     14.74387042     13.57853164    -12.44833463
  O     17.91371693      7.27137422    -14.72345910
  H     15.23077121      4.64893202     -7.88998050
  H     15.24015999     12.12734528    -12.65203763
  O     11.60869965      9.70640272    -15.33696386
  H     14.87780342      4.52172430     -9.39142339
  H     16.26747837      5.95185191    -12.53646032
  O     13.32903947     11.73485476    -14.95444246
  H     13.14945325      8.81520462    -16.04897596
  H     16.31102546      7.02828874    -11.41475457
  O     12.82900079      5.41763445    -13.60660155
  H     14.45837763      8.48971359    -15.30132211
  H     16.76873395     10.55758295    -11.91247757
  O     14.44738641     12.67323364    -12.50764891
  H     11.88963610      4.77067940    -10.62984110
  H     17.16166280     10.63421170    -13.44093596
  O     16.65468913      6.80408061    -12.28789387
  H     11.02912335      3.59969859    -11.16196126
  H     16.35718128      9.11218515     -9.98137074
  O     16.51943526     10.91442456    -12.77530620
  H     15.01455455      3.72173174    -11.60954408
  H     17.36072331     10.13681727     -9.41022124
  O     16.74054172      9.99423340    -10.12108922
  H     13.63098009      3.54306127    -10.96205531
  H     15.38165777      6.76726510     -9.37821622
  O     15.45848264      7.57853032     -9.89600472
  H     14.54800544      4.84266866    -13.39612811
  H     14.55711055      7.85576352    -10.11832534
          69
 Energy    -248.68968308129493     
  O     16.23762770      9.54357302    -11.66537805
  H     16.70444134      8.88005466    -11.13551071
  H     14.07951185      9.60704792     -7.30970879
  O     18.26381932      4.09725046     -8.74697229
  H     16.13783464     10.31009313    -11.08792499
  H     12.70261502      9.57655594     -9.39765492
  O     15.36131201      4.43038556    -11.66932918
  H     18.97917651      3.46883721     -8.81109022
  H     11.64156752      8.51178525     -9.70559785
  O     13.28693473      6.10256420    -10.94214748
  H     18.22036343      4.55095692     -9.60674882
  H     15.89797187      8.48996371     -5.94686821
  O     17.91040575      5.97516233    -13.77932605
  H     15.31323840      4.42062757    -12.63394918
  H     17.01234206      7.47209706     -6.29744625
  O     15.48353152      3.29703063     -9.06169598
  H     16.22907800      4.79480331    -11.44584484
  H     13.00916105      8.92090290    -11.54659773
  O     17.09983255      8.72346177    -14.15662972
  H     13.94485382      5.45596812    -11.23066301
  H     14.50086359      8.91918768    -11.99460859
  O     18.05421434      9.84715570     -8.24285707
  H     13.38423528      6.89465075    -11.49135069
  H     18.09001210      5.55863807    -12.04616232
  O     14.76807622      5.05297886     -7.07583401
  H     17.73566049      6.91185783    -13.93222841
  H     17.86105190      6.30313209    -10.69734930
  O     17.44611345      7.79141434     -9.91412531
  H     17.13623901      5.50658448    -14.11477117
  H     15.06425983      4.33608417    -15.21784992
  O     14.97699658      7.10910504     -8.97474566
  H     16.43440019      3.40400774     -8.93928637
  H     15.00296321      5.71680835    -14.52105858
  O     14.20373910      9.67906453     -8.26349462
  H     15.31587106      3.52764783     -9.98418742
  H     13.46276752      8.07512363     -5.89451550
  O     12.05286841      9.30870537    -10.06088975
  H     17.57611954      9.40891899    -14.61891805
  H     13.67679747      9.11289871     -4.76776723
  O     16.82457195      8.41218600     -6.20156819
  H     16.83617174      9.09773673    -13.30001885
  H     10.50276782      6.20772199     -9.27749507
  O     13.63129124      8.54485250    -12.18712923
  H     17.64083972      9.44690779     -7.46143602
  H     11.95970771      6.36109436     -9.76324618
  O     17.95123545      5.42388531    -11.09814452
  H     17.43349998     10.50039531     -8.58221559
  H     15.65247298     12.28993466     -9.43400963
  O     15.35448281      4.81126815    -14.44421722
  H     14.87165100      4.35800296     -7.74396435
  H     15.26910598     10.83895111     -9.06331259
  O     14.01273658      8.82865971     -5.61324258
  H     15.63829286      5.18053179     -6.67902742
  H     17.79647085      5.12277053     -7.26866856
  O     11.31580183      6.67816022     -9.10779950
  H     16.60319224      7.52015165     -9.51927012
  H     18.05549873      5.31693989     -5.76168539
  O     15.91137352     11.37999728     -9.55469657
  H     17.82377375      8.47328178     -9.33993305
  H     13.26105391      6.00653116     -6.62076548
  O     17.47030695      5.57047084     -6.47290396
  H     14.91271061      6.46029933     -8.26338189
  H     12.11087771      6.72533731     -7.35843403
  O     12.59992279      6.70746402     -6.52749634
  H     14.40166686      6.79436872     -9.68308574
  H     15.42867140      7.89699817    -14.59306003
  O     14.59634579      7.40831268    -14.56617235
  H     14.49823115      8.79934397     -8.54533238
  H     14.08979234      7.80775231    -13.84673626
          69
 Energy    -248.68952179971376     
  O     15.03567138      9.91720752    -10.30648810
  H     15.01113245     10.60383907    -10.98898351
  H     17.39273702      2.62861563    -11.50775755
  O     13.21236710     11.32722540    -15.61156553
  H     14.13877705      9.57301335    -10.23018403
  H     12.56376539      9.01161216    -11.58063725
  O     17.42210482     10.81486238    -13.51553911
  H     12.94082472     10.73169808    -14.90430417
  H     11.60671519      9.02750126    -10.37286248
  O     14.05926856      4.85654534    -14.09578148
  H     13.43928652     12.16328620    -15.18381486
  H     17.79031460      7.38765640    -15.18551542
  O     16.54653583      6.83387458     -8.32691707
  H     18.04459043     10.55626671    -12.82692253
  H     18.50816385      6.88371639    -13.92310959
  O     16.67328181     12.77473260    -15.42034256
  H     17.28605341     10.06781110    -14.11634671
  H     15.20852991     13.42547058    -14.71748664
  O     15.93687407      7.68762180    -11.91480911
  H     14.22979799      4.89571459    -13.13909315
  H     14.23084123     14.55242975    -14.29963763
  O     14.95423620     11.52013334    -12.51650058
  H     13.34341064      4.23953163    -14.22360715
  H     13.45164269      8.90405942    -13.67700481
  O     18.69567312      7.45480815    -12.19249981
  H     16.52511558      6.59843809     -7.40211700
  H     13.67723293     10.29011319    -13.00626873
  O     19.08757201     10.08437915    -11.31648354
  H     15.62519944      6.81170579     -8.63440440
  H     15.22400953     10.82799047    -18.05049359
  O     16.91970930      4.26741450    -14.15456525
  H     16.37300725     12.18322274    -16.12245486
  H     14.60437389     10.95558949    -16.63847904
  O     17.15291394      3.54879572    -11.57090159
  H     17.10930944     12.20670145    -14.77084533
  H     14.12161703      5.97548106     -9.97594182
  O     12.47942282      8.75531873    -10.64775795
  H     16.89727042      7.63227595    -12.01154014
  H     13.39726706      7.30395581     -9.70558648
  O     18.20764481      6.60856010    -14.80125204
  H     15.72833246      8.41027573    -11.31326592
  H     15.59505657      4.52520742    -11.38651599
  O     14.35009739     13.60711471    -14.29240622
  H     15.82463628     11.27169000    -12.86383516
  H     15.27124398      6.03221889    -11.57410226
  O     12.99671885      9.64288001    -13.24505976
  H     14.69017062     12.32621418    -12.97411377
  H     18.03403234      4.88987586    -10.57344888
  O     15.44066176     10.83461673    -17.12195523
  H     18.74076190      6.83281832    -11.44915715
  H     17.77330906      5.99063787     -9.51260606
  O     13.96458339      6.64339715     -9.29356048
  H     19.01144481      8.31368664    -11.89043071
  H     15.07153332      7.64822235    -13.43589907
  O     14.86738981      5.15579190    -11.46803579
  H     18.56014065      9.86774288    -10.52604304
  H     14.30821826      6.68498397    -14.38132609
  O     18.41705788      5.67277527    -10.15767400
  H     19.86216065     10.54985491    -11.01235920
  H     16.62538191      9.71925684     -9.48373087
  O     14.55101162      7.60938453    -14.25598743
  H     17.40063165      5.05237580    -14.45996782
  H     17.33828896      8.51543917     -8.86716905
  O     17.50220308      9.39065584     -9.23559412
  H     15.99029982      4.42247896    -14.34870775
  H     15.90619589      8.44300392    -15.11794539
  O     16.67539351      8.93447171    -15.44142848
  H     17.15921804      3.77611522    -12.51976757
  H     16.34334195      9.53221541    -16.12203216
          69
 Energy    -248.68926977284025     
  O     11.83361534     10.79817057    -13.78724085
  H     12.32673779     11.57241974    -14.08058176
  H     19.25706040      8.43640680    -15.62606072
  O     16.36970265      6.96076727    -12.98567705
  H     12.13121327     10.07017505    -14.35229900
  H     15.49217907     11.33148537    -16.73413979
  O     18.02160595     11.81808418    -12.38497200
  H     17.32050618      7.02691630    -12.82736846
  H     14.20776649     10.77095623    -17.36242189
  O     17.03109343     10.57032225    -16.06845333
  H     15.94658789      6.80989816    -12.13205440
  H     14.58871742      9.09329828    -14.55520285
  O     12.43494943      6.14562904    -14.34914561
  H     18.16581486     11.07123469    -11.78538557
  H     15.78991421      8.50854058    -13.75186992
  O     15.98985992      8.94588200     -9.22936535
  H     17.06559566     11.90705981    -12.48748893
  H     10.91503620      9.95116815    -10.91832141
  O     15.25196933     11.69789682    -12.82257868
  H     17.77182229     10.99909767    -15.62140913
  H     11.75758565     10.15358279    -12.19900074
  O     15.65425828      7.26840738    -17.47530528
  H     16.51423915     10.10055502    -15.39460194
  H     18.59243187      8.77851887    -11.33720813
  O     15.12818736      6.65766974    -10.46747275
  H     12.49460547      6.44564392    -13.42362096
  H     17.56183852      9.28672672    -10.30038203
  O     18.26095675      8.44332464    -17.27602868
  H     11.69278734      5.54973940    -14.39837748
  H     12.33653539      7.98698607    -11.63353030
  O     15.13455196      5.75942180    -15.22135194
  H     15.37942635      9.58129134     -9.65016464
  H     13.45893621      6.96562408    -11.32435796
  O     19.66503848      8.66295948    -14.78215375
  H     16.14509189      9.26029728     -8.34285724
  H     18.86649111     11.63995044    -13.83325030
  O     14.57587311     11.55857153    -16.94551423
  H     14.70297082     12.22451977    -13.41414511
  H     19.92098941     12.18762417    -14.82523411
  O     15.45426666      9.30498163    -14.18161505
  H     15.33128485     10.82576328    -13.23976420
  H     19.32704113      7.81453730    -13.32825308
  O     11.75319375      9.73559977    -11.31832539
  H     15.48911382      6.68638337    -16.71819805
  H     19.80031691      6.75404618    -12.30813790
  O     18.32267177      9.55211181    -10.82825662
  H     16.58067290      7.52543164    -17.42899288
  H     13.26672824      8.80518759    -18.77381811
  O     12.65310769      7.09754643    -11.83606094
  H     15.22871047      5.91225423     -9.88016734
  H     14.41474024      8.38785235    -17.82263921
  O     19.29236409     11.48349236    -14.69745535
  H     15.43526227      7.44165956     -9.98329900
  H     13.40445000     10.32533357    -10.67408829
  O     19.08369010      7.35061576    -12.50627563
  H     18.68000058      8.69433022    -18.09617921
  H     14.63562797     11.08132833    -11.21783674
  O     13.68164524      9.02057103    -17.94349781
  H     17.79859069      9.23357985    -16.94527711
  H     13.89039927     12.40827491    -15.58015944
  O     14.29993581     10.60273126    -10.44758756
  H     14.20893783      5.76968019    -14.95077488
  H     13.36002721     13.74905497    -15.02565835
  O     13.55488865     12.84902132    -14.77912770
  H     15.63038310      6.08588263    -14.45905727
  H     12.70788758      7.82311556    -15.05879920
  O     12.92391771      8.73848111    -15.27674327
  H     19.63456055      9.62649627    -14.72149216
  H     13.08182802      8.79600265    -16.22767855
          69
 Energy    -248.68909558816927     
  O     15.36703056      9.97072710    -17.07960246
  H     14.55991480     10.23183617    -16.62178549
  H     18.07425512      7.04322437    -11.06981435
  O     16.27451534      5.34855193    -13.14281924
  H     15.99555659     10.70955211    -17.07349049
  H     19.25501233      9.26699846    -17.37066287
  O     18.12047296     12.91567706    -11.61040234
  H     16.67468680      5.43098703    -14.01533079
  H     20.45011853     10.22925459    -17.56548271
  O     19.07199998      9.64904340    -14.36668717
  H     16.97215929      5.57128492    -12.51368514
  H     16.11790244      8.60974449    -14.12909843
  O     15.04179821      6.20587882    -16.95017719
  H     18.71982311     13.56761585    -11.25843613
  H     16.14081995      9.03202483    -15.64759773
  O     16.19986193     10.22036852     -8.77753494
  H     18.56930336     12.05222707    -11.54567051
  H     12.21751330     10.53777244    -15.68461572
  O     15.36911353      8.73690205    -12.48912115
  H     19.44208777      9.86143591    -15.23322633
  H     13.13459319      9.32624066    -15.37857581
  O     17.28223354     11.96517412    -14.10187502
  H     18.21861904      9.21712321    -14.53846710
  H     17.02922859      9.06402265     -9.85386180
  O     19.68458191      6.78327803    -13.93322725
  H     15.26942271      6.72175762    -17.73387691
  H     16.66876802      8.63316405    -11.29451664
  O     13.81966022      6.43381829    -12.74985902
  H     15.88388533      5.92488505    -16.57509909
  H     13.86160756      7.11702925    -15.89008306
  O     17.59755084      6.13261023    -15.60638754
  H     15.88912174     10.50367823     -7.92250028
  H     13.36500271      7.16824189    -14.43016683
  O     18.40833328      6.20868484    -11.44081016
  H     15.90369867     10.89780459     -9.40937140
  H     19.33324449     10.13812428    -12.56808154
  O     19.65105914     10.10160203    -17.06105653
  H     14.68677158      8.05431186    -12.49095557
  H     18.63318979      9.79436929    -11.23711737
  O     16.63957122      8.60408310    -14.94224039
  H     14.97411026      9.60299726    -12.65789473
  H     15.08107582     11.89289477    -11.50572550
  O     13.11171598     10.29933199    -15.45557751
  H     17.55706403     12.46308331    -13.32070047
  H     16.39525754     12.46852211    -10.94689219
  O     17.36592850      8.58220158    -10.62268948
  H     17.86603098     11.19802230    -14.14269661
  H     17.64582668      7.85299698    -18.33852614
  O     13.31439753      7.62732426    -15.27595770
  H     19.34974908      6.59396976    -13.04668441
  H     18.31114542      7.09898986    -17.17521045
  O     19.21257183     10.44236536    -11.65996389
  H     19.69684974      7.74279423    -14.01245695
  H     14.07397642     11.05608124    -14.03423470
  O     15.54589008     12.09063424    -10.68447561
  H     14.66831837      5.97509210    -12.89023980
  H     15.51390061     11.52929650    -13.66826898
  O     18.46754855      7.78279807    -17.83582583
  H     13.28299310      5.86308242    -12.20724794
  H     18.16576204     11.33719946    -17.03486814
  O     14.65696241     11.27436383    -13.29662411
  H     17.16601676      6.98352101    -15.41661485
  H     17.32274383     12.08338498    -15.97684695
  O     17.34361957     11.82741046    -16.90890035
  H     18.42707615      6.16224102    -15.10634428
  H     15.64282661      8.78499676    -18.33290810
  O     15.87865840      8.06573886    -18.94567932
  H     18.81472597      5.73143330    -10.72163180
  H     15.52570499      8.30084032    -19.79953233
          69
 Ord_Energy   -248.689087    
 O   -2.77449894       4.41101789       7.95266914    
 H   -2.18768501       4.35449696       8.70227146    
 H   -3.42233896       5.10867023       8.15682030    
 O   -3.34818649       2.60923600       4.22577143    
 H   -2.94529724       3.42780209       4.55450869    
 H   -3.16022992       2.57893419       3.27951121    
 O   -3.11058688       3.04856849       1.43900192    
 H   -3.90057755       3.60015488       1.31565237    
 H   -2.97734261       2.57711315      0.620354950    
 O   -9.88687134       4.35623741       2.10297942    
 H   -10.0438042       4.69431257       2.99302745    
 H   -9.89918995       3.39358068       2.19395900    
 O   -7.59544325       8.41594887       6.03386736    
 H   -7.68012953       8.12610149       5.11636114    
 H   -8.23821831       7.89247322       6.52658319    
 O   -5.08622217       8.73009586       7.07077408    
 H   -5.98609209       8.65566158       6.70699120    
 H   -4.98015547       9.63536930       7.35088396    
 O   -7.89900208       5.81705332      0.998661041    
 H   -8.62296581       5.25192451       1.32456470    
 H   -8.23237324       6.27553749      0.231578916    
 O   -5.98742867       3.15420246       3.60730529    
 H   -5.11047125       2.84824300       3.87561059    
 H   -5.86470985       3.66119552       2.79249358    
 O   -8.27792263       2.65807295       5.02395964    
 H   -7.93874454       2.40908527       5.89086342    
 H   -7.50106192       2.78658652       4.45646095    
 O   -2.20704746       4.94611692       5.23134804    
 H   -2.70613813       5.76997089       5.13121557    
 H   -2.23188591       4.74755764       6.17518759    
 O   -9.64437485       5.13473940       4.83714151    
 H   -9.69844055       5.56609201       5.69796658    
 H   -9.19160175       4.28914928       4.96974039    
 O   -4.35053873       2.30654955       6.85621357    
 H   -3.81773663       2.98086691       7.29658318    
 H   -3.97923064       2.21342564       5.97053051    
 O   -6.96508360       2.17167783       7.49345827    
 H   -6.01898956       2.17003107       7.25691032    
 H   -7.09060097       1.47004104       8.12647820    
 O   -5.34985495       4.71293306       1.41425610    
 H   -4.81717825       5.47420788       1.70221663    
 H   -6.20919085       5.05560112       1.14256465    
 O   -3.90610266       7.13796759       5.05220222    
 H   -4.63882828       6.50362539       5.10633659    
 H   -4.12352896       7.82585335       5.68930912    
 O   -6.06749916       5.46382952       5.13078499    
 H   -5.97478437       4.63380575       4.64796352    
 H   -6.66124153       6.02397442       4.61094141    
 O   -3.73962140       6.72037601       2.26292324    
 H   -3.83255839       7.05568409       3.16268015    
 H   -2.85531163       6.32857609       2.22575021    
 O   -7.88356972       6.92451859       3.64283085    
 H   -8.57341003       6.34414721       4.00079489    
 H   -7.80747700       6.71392584       2.70584512    
 O   -9.29793358       6.47371960       7.32570601    
 H   -8.52074909       5.93338156       7.55189133    
 H   -9.81398678       6.56660748       8.12237930    
 O   -7.04149485       4.97743368       7.64820766    
 H   -6.67521381       5.16937494       6.76880074    
 H   -7.06675243       4.01692533       7.73063231    
 O   -4.67974472       6.26997137       8.48988438    
 H   -5.53317690       5.83609867       8.36087227    
 H   -4.76005173       7.13820457       8.07714748    
 O   -9.75745296       1.67262685       2.86074233    
 H   -9.46004868      0.798075795       2.62183166    
 H   -9.29484653       1.89494979       3.68354130    
 O   -1.40126419       5.18053150       2.46641421    
 H   -1.46167374       5.06636095       3.42364168    
 H   -1.82087398       4.40285730       2.07979059    
          69
 Energy    -248.68873801265704     
  O     21.26459579     10.92978312     -9.59830685
  H     20.63623767     10.53196748     -8.96676831
  H     19.75415399      8.93933671     -7.60101177
  O     17.56343716      6.89968462     -9.14851412
  H     21.58629242     11.73115832     -9.19524865
  H     20.24459379     10.58009557    -11.06598643
  O     17.33355384      4.10674093    -11.89398299
  H     18.30663681      7.11641159     -9.73166177
  H     18.78001894     10.45602524    -11.60184903
  O     19.12830006      5.81968401    -13.20491052
  H     17.88600016      6.28550299     -8.47893478
  H     22.67443409      8.10787661    -10.26174227
  O     21.77868417      6.67309487     -9.54395107
  H     16.83745851      3.33568663    -12.15796915
  H     22.45237659      9.62928460    -10.36029446
  O     15.73640359      6.16556859    -11.03036140
  H     16.68767839      4.75990949    -11.57620418
  H     18.08005630      7.74739617    -15.95442595
  O     21.87795782      5.39660031    -13.06221363
  H     18.47774090      5.19179937    -12.86604213
  H     18.92656360      8.26920404    -14.76634354
  O     20.41380165      7.30572288     -7.17462692
  H     18.70939560      6.36366578    -13.88222516
  H     18.68772943      3.85702231    -10.50239826
  O     14.26557238      8.53088224    -10.07340411
  H     20.99201250      6.95385449    -10.03735814
  H     20.19558341      3.83640972    -10.12849203
  O     21.96395220      4.09466958    -10.70479332
  H     21.95695614      5.76748848     -9.82025141
  H     16.80546516      8.06671897    -13.73872726
  O     19.53893959      7.49791004    -10.98023660
  H     15.90971621      6.80152534    -11.74179458
  H     15.55060489      8.72798999    -13.04352600
  O     19.47260106      9.79516652     -7.95858468
  H     16.34102042      6.38862181    -10.30370981
  H     16.12527716     10.70634352    -11.64183033
  O     19.69976380     10.21606497    -11.77562124
  H     20.93013619      5.49530470    -13.22822137
  H     16.95262387      9.44870794    -11.80377080
  O     22.91385301      8.89222603    -10.77562391
  H     22.26362405      6.27315991    -13.17989108
  H     23.68400255      8.27317955    -13.75578535
  O     18.12291377      7.76792273    -15.00265262
  H     21.02647969      7.09482924     -7.89273243
  H     22.88290592      8.39374610    -12.44119632
  O     19.30264013      3.77895010     -9.76534755
  H     19.85576474      6.52495813     -7.08948072
  H     16.95940050      8.53778562     -8.76116678
  O     16.27114998      8.09259210    -12.93545330
  H     14.92220888      8.87026590     -9.45170371
  H     16.81981965      9.85389727     -9.56397387
  O     16.97200948     10.32534135    -11.39051748
  H     14.54427156      7.63368574    -10.28884384
  H     14.16535363      9.52175956    -11.54170894
  O     22.84583613      8.05782905    -13.35469271
  H     22.66181830      3.44537052    -10.69721695
  H     13.42296400     10.40383908    -12.56977271
  O     16.64920967      9.45537500     -8.69976328
  H     21.98445869      4.52111092    -11.58079806
  H     20.11848967      9.59303624    -13.41455055
  O     14.27278727     10.02130199    -12.37175220
  H     19.65349204      8.41604251    -11.25465560
  H     21.19978716      8.69059309    -14.02870831
  O     20.32492121      9.06023132    -14.19616946
  H     19.43059035      6.95965916    -11.77466123
  H     18.94707519      4.51561273     -8.22972335
  O     18.68944754      5.01445874     -7.43338544
  H     18.51456321      9.77282126     -8.03494758
  H     18.37170932      4.37798673     -6.79913628
          69
 Energy    -248.68863473648008     
  O     11.54328746     10.10061682    -12.71306890
  H     10.92832419      9.37439598    -12.52568968
  H     11.65141447      3.16836328    -11.81034120
  O     10.71228731      6.33163911    -10.33543497
  H     11.03311347     10.90677123    -12.67785318
  H     15.95512560      5.55225043    -13.34000390
  O     16.88391598      4.99713424    -11.97546794
  H     11.56327178      6.71661511    -10.08504888
  H     14.44327942      5.82782109    -13.51986314
  O     14.44392571      4.07084760    -15.83828137
  H     10.90441829      5.40341715    -10.52583404
  H     12.29401737      6.10978473    -13.33053860
  O     14.23316802      3.38106903     -9.93793654
  H     17.72291137      5.42749804    -11.75638219
  H     12.56893550      5.07123413    -12.19690531
  O     16.71067273      9.74110160    -10.53120328
  H     16.92518723      4.04323224    -11.83954588
  H     18.57661148      7.05720997    -10.42944878
  O     15.45867468      8.62584044    -13.90042888
  H     14.81399646      4.75782463    -15.25781265
  H     18.67129070      7.48572752    -11.90373861
  O     11.61904391      4.06146876    -15.34209199
  H     14.92047427      4.12082539    -16.66285185
  H     14.14533313      6.75639963     -9.95512421
  O     17.58366356      7.75136227     -8.90481616
  H     14.66366684      4.18195028     -9.61319926
  H     13.22378214      6.76357433    -11.19732707
  O     14.43850179      2.15686512    -13.69834138
  H     14.90203429      2.92648866    -10.46306412
  H     16.66376974      1.42289237    -11.59286469
  O     11.58854384      2.17801607    -13.39167191
  H     17.23241888      9.61215512    -11.33324668
  H     15.62789432      2.20852238    -12.43169499
  O     11.79983980      3.83652651    -11.13029034
  H     15.79166583      9.80357197    -10.82171513
  H     16.01790463      5.56250154    -10.44879997
  O     15.29888820      5.86886914    -13.97809147
  H     15.41943683      7.65967880    -13.96636423
  H     16.29213963      6.43282960     -9.20426845
  O     12.94790531      5.81486012    -12.68492971
  H     14.99140972      8.88989605    -13.09398929
  H     17.16594019      8.87270362    -13.38338561
  O     18.86355787      6.75619988    -11.30075211
  H     12.54277509      4.10394679    -15.62045335
  H     18.56053903      9.51113278    -13.55346394
  O     13.38342374      7.20358424    -10.34706407
  H     11.33845412      4.97256572    -15.18707442
  H      8.84216200      7.98081542    -12.23309826
  O     16.25895515      2.28017489    -11.69244208
  H     17.95009968      8.10806939     -8.10034259
  H     10.09939231      7.35238936    -11.59472733
  O     15.65000628      5.82649758     -9.59261616
  H     17.24197396      8.50646954     -9.41684953
  H     13.26668944      9.86604404    -11.92411016
  O     18.03037179      8.98943321    -12.95575672
  H     13.49406419      2.06351899    -13.52589042
  H     13.86574965      8.73549451    -11.06478610
  O      9.79166928      7.93465274    -12.31274687
  H     14.50641543      2.72567420    -14.47423129
  H     12.39707660      9.42016144    -14.31396554
  O     14.10051735      9.51162979    -11.59754196
  H     11.00226041      1.46457323    -13.62905250
  H     13.72856015      8.84168250    -14.82229465
  O     12.78289140      8.87044283    -15.00747030
  H     11.52168499      2.84369882    -14.10028696
  H     11.68522542      7.45165003    -14.86489942
  O     11.11032520      6.73227238    -14.55867920
  H     12.60929037      3.60123830    -10.64880831
  H     10.52221936      7.10746232    -13.89285467
          69
 Energy    -248.68858210162526     
  O     16.77174786      9.08572752    -15.45045320
  H     16.80498315      9.72733232    -16.18234218
  H     17.79806454     11.39122629    -17.25944051
  O     17.64856060     15.26240513    -15.77524836
  H     16.34065537      8.30464675    -15.78737793
  H     17.05084227     11.54287202    -10.32332816
  O     21.28594216     10.15089480    -15.84968095
  H     18.38439874     15.15678334    -16.38967206
  H     17.29850379     10.68907814     -9.05619256
  O     19.49638094     13.30053654    -10.05655056
  H     18.01979802     15.72609970    -15.01501313
  H     20.75274209     16.89654689    -10.85447059
  O     16.00806958     12.43236749    -11.38563422
  H     20.63181298      9.69318783    -15.28601412
  H     20.69659552     18.41041933    -11.16651566
  O     19.64116585     10.04396494    -11.66319129
  H     21.89097978      9.48813900    -16.16815520
  H     21.65096647     12.14470768    -12.19957296
  O     19.42118637     12.07706829    -16.67428298
  H     20.26788771     12.87338310    -10.45804427
  H     22.36947844     12.76407530    -10.98241195
  O     21.36001153     14.86384881    -14.82226554
  H     18.89910171     12.59012325     -9.79339858
  H     20.20476330     14.79651637    -18.23443125
  O     21.01206523     15.61961138     -9.69392458
  H     15.85989580     11.95956380    -12.21634477
  H     19.83074388     13.70635368    -17.19954388
  O     21.27861838     12.21908754    -13.94280687
  H     16.51667071     13.21959054    -11.62374186
  H     22.46399835     15.67006867    -13.55341599
  O     15.96341228     11.28209355    -13.91430481
  H     20.42215133     10.55841255    -11.43193012
  H     22.21761014     16.67290039    -12.41076821
  O     16.87442512     11.10570282    -17.27983172
  H     18.95806928     10.31895598    -11.03993506
  H     19.65449872     16.84056373    -12.94244294
  O     17.74118039     11.11725269     -9.78351729
  H     20.09956026     11.40147643    -16.54828765
  H     19.97744167     15.78149246    -14.01768145
  O     20.70446660     17.54961700    -11.57601529
  H     19.05496357     12.26434996    -15.79512897
  H     23.26374097     14.91084209    -11.46898894
  O     21.70732573     12.10750784    -11.23299768
  H     21.03250958     14.86753213    -15.72931330
  H     24.28619722     14.42214557    -10.41665743
  O     20.01517148     14.65538795    -17.31062660
  H     21.39396705     13.93970989    -14.53634054
  H     19.43216391      9.36645166    -13.34642790
  O     22.85786855     16.03566527    -12.75030553
  H     21.86847205     15.21268364     -9.87421755
  H     18.50520527      9.02207637    -14.56085047
  O     19.24907178     16.27041908    -13.60806381
  H     20.38322088     14.88602273     -9.66514782
  H     17.78724069     11.83402202    -13.94713442
  O     23.37951867     14.32867135    -10.69657998
  H     21.50127511     11.51576397    -14.56349537
  H     18.36539545     13.15914082    -13.44170539
  O     19.42146522      9.07692409    -14.27115234
  H     20.31152304     12.20231747    -13.85593562
  H     16.39745787     13.99389401    -15.80373441
  O     18.54246385     12.42422587    -14.04423010
  H     16.10183661     10.44712146    -14.37782350
  H     14.89156021     13.78678499    -16.05524366
  O     15.70446696     13.31648824    -15.88633841
  H     15.79598729     11.96512012    -14.57895432
  H     18.35135024     15.09918261    -12.55685191
  O     17.95279468     14.33150258    -12.12827848
  H     16.37301611     11.86221430    -16.95040759
  H     18.53002424     14.06520889    -11.39813247
          69
 Energy    -248.68813880127888     
  O     10.72892004     10.83081827    -10.18709721
  H     11.50659562     11.28853235     -9.82085250
  H     10.68300752     10.26091029    -17.12243088
  O     14.46529531     10.92168133    -12.48966166
  H     10.07466032     10.80508587     -9.49391229
  H     13.50963968     13.41691978    -14.61965569
  O     16.62462317     13.16546902    -15.05719897
  H     15.39077106     11.19147970    -12.57744165
  H     13.01794233     13.75271712    -16.04569111
  O     16.36717984      7.51657055    -12.39348153
  H     14.42581570     10.23619371    -11.81198542
  H     17.44517039     10.86083751    -17.67973783
  O     10.60630040     11.60485387    -12.87770174
  H     16.86709599     12.49881189    -15.71100266
  H     16.08303158     10.91654991    -16.95143608
  O     11.35287315     13.86696043    -16.89872380
  H     15.71781705     13.42567840    -15.26060562
  H     13.96743436     15.20811303    -10.66576520
  O     14.30792982     11.07266049    -16.80747204
  H     16.76394544      6.65733978    -12.51597175
  H     13.63117360     13.96464513    -11.51947418
  O     15.30306519     10.59222942     -8.81607253
  H     16.72536537      8.07756554    -13.09802100
  H     17.18808723     10.07718518    -13.77327494
  O     12.94198443     13.09240595    -12.91889372
  H     10.93120221     10.79787421    -13.30416946
  H     17.21190985      9.70919096    -15.26311236
  O     14.21140266      9.32389161    -14.68063819
  H     10.52845801     11.40338478    -11.93699819
  H     15.72665251     13.31149985    -10.47586071
  O     12.92044635     12.08477583     -9.21488568
  H     10.71344946     13.41689247    -16.31723137
  H     16.17114448     12.00100503     -9.80614077
  O     10.06076022      9.80770570    -16.52587305
  H     10.90345610     14.62241973    -17.26804841
  H     10.95432325      9.32407254    -14.95680055
  O     13.79940308     13.49591186    -15.53968585
  H     14.19693854     10.40248456    -16.11751176
  H     12.39516493      9.14722894    -14.41102481
  O     17.04406046     10.86367931    -16.81419046
  H     14.14651846     11.92892408    -16.38375109
  H     11.62766623     12.18578315    -17.82218729
  O     14.04462574     14.25764248    -10.69041893
  H     15.67813338     10.17714554     -8.04371085
  H     12.70821076     11.09653300    -17.76218241
  O     17.08425377      9.33134126    -14.38556734
  H     15.07816133      9.87754431     -9.43689709
  H     11.70043725      8.61436808    -12.33340323
  O     16.47659702     12.71167506    -10.38357402
  H     12.04199912     12.74263944    -12.92097031
  H     11.47431223      9.23921672    -10.94291819
  O     11.47088153      9.24524668    -14.14464723
  H     13.51043667     12.32485292    -12.73682894
  H     17.00659966     12.29583294    -13.52537638
  O     11.79466167     11.25898611    -18.03348536
  H     14.18589091      9.93827039    -13.92911061
  H     17.06290334     12.07478891    -11.96529221
  O     11.93567124      8.52598082    -11.40189793
  H     15.12525263      9.02120063    -14.69084354
  H      9.61474768     11.53448849    -15.77048658
  O     17.10273024     11.63176186    -12.82535307
  H     13.70263937     11.57220316     -8.97608379
  H      9.85018127     12.25857520    -14.43736342
  O      9.64506999     12.41175522    -15.36950572
  H     13.25111419     12.88856393     -9.63312906
  H     13.64856423      8.54560692    -10.91581424
  O     14.56452898      8.78464621    -10.70652650
  H      9.48301569      9.28529756    -17.07588673
  H     15.16426703      8.26650286    -11.26137320
          69
 Energy    -248.68761873270140     
  O     11.69529941     10.83350842    -13.62607909
  H     12.13567728     11.56359012    -13.17655984
  H     16.16485282      7.22486495    -15.87217349
  O     16.30541527      7.25536480    -14.09565746
  H     12.16485311     10.70772545    -14.46254723
  H     18.79855804      9.41183742    -13.20894254
  O     17.08169571     10.04335214    -10.14459578
  H     15.81279512      6.90662932    -13.34172930
  H     18.71327031      8.74531819    -14.61094866
  O     17.14414984     11.97649304    -14.03847285
  H     17.15506811      7.60365558    -13.79487797
  H     15.70205646     13.10240135    -14.28029864
  O     13.23382748      7.69706253    -16.75215863
  H     16.25674904     10.24334614    -10.61052713
  H     14.69032390     13.18304625    -15.43293819
  O     15.41156954      7.92977996     -8.87181558
  H     17.41381238      9.17678937    -10.43658700
  H     14.61578299     10.02453897    -14.67564333
  O     14.64883358      6.35279429    -12.09516073
  H     17.78256502     11.79311198    -13.34126446
  H     15.62320556      8.95656948    -14.14241394
  O     14.71542010     10.64096342    -11.52128290
  H     16.54794621     11.21068468    -14.07322434
  H     10.18590491      8.39492059    -12.35381603
  O     17.33657586     11.53842247    -16.77206321
  H     12.65806546      7.20415122    -17.33082416
  H     11.29202041      9.34208819    -12.88021883
  O     16.41976903      5.67175219    -10.03581062
  H     13.07568053      7.36046912    -15.85097437
  H     17.73910349      6.86705674    -10.81535631
  O     18.39749732      8.89925330    -16.51082782
  H     15.95766938      8.70877852     -9.02230546
  H     18.52125290      7.69860471    -11.88303632
  O     16.10275692      7.48217080    -16.80598678
  H     14.58363913      8.08742274     -9.34660452
  H     12.14037333      7.38569453    -13.66580123
  O     18.71862694      8.56328951    -13.66210811
  H     15.21628589      5.92649230    -11.44132160
  H     13.40585608      6.51799050    -13.58251560
  O     14.82857808     13.44624755    -14.51703717
  H     14.18967572      7.06355853    -11.62473321
  H     18.26915894     10.74265022    -11.31628212
  O     15.34291368      9.87539992    -14.05823776
  H     14.92687049     10.32412392    -12.41324790
  H     19.67963296     11.26042732    -11.66624557
  O     11.12782408      8.46810124    -12.48045062
  H     14.23142829     11.46597406    -11.64234744
  H     14.69805300     12.79469418    -18.00129945
  O     18.21941077      7.68867375    -10.96886916
  H     17.71099709     10.65031882    -16.79111794
  H     15.69358660     11.99913721    -17.12571826
  O     12.76343578      6.88076100    -14.20318655
  H     17.41981470     11.82418777    -15.85107317
  H     12.48407236      8.38940500    -11.19631924
  O     18.85377003     10.98179315    -12.05433116
  H     16.08167317      6.43107787     -9.52616677
  H     13.76251500      9.23139493    -10.97263353
  O     14.76524967     12.28528788    -17.19828650
  H     16.58459397      4.97175848     -9.41021755
  H     12.95308938     13.70110478    -11.98490484
  O     13.32567252      8.40251242    -10.72466006
  H     19.05358839      8.55836163    -17.11431446
  H     13.78741924     13.13853254    -13.15911335
  O     13.25123550     12.88880855    -12.38505647
  H     17.57469989      8.41106351    -16.69508455
  H     13.23400375      9.48586733    -16.31462009
  O     13.27644005     10.34263770    -15.87002525
  H     15.15942532      7.57819122    -16.97021006
  H     13.72461423     10.97501703    -16.44696023
          69
 Ord_Energy   -248.687576    
 O   -4.04053164     -0.170775384       4.64075136    
 H   -3.83537936     -0.556185782       3.77548981    
 H   -3.37934113      0.519056916       4.80391550    
 O   -3.62295294      -1.55904508       2.27873945    
 H   -4.51567364      -1.50623631       1.91153765    
 H   -3.52510715      -2.45079279       2.63537169    
 O   -5.37455034      -1.53583407      -1.46081102    
 H   -6.00407124      -1.31805658      -2.14418054    
 H   -4.77845812     -0.771315396      -1.37795389    
 O   -6.23923683      -1.63678920       1.28768468    
 H   -6.10536385      -1.54324234      0.338220358    
 H   -6.19552040      -2.58704042       1.47934628    
 O   -2.02146053       1.66238666       4.87202930    
 H   -1.17140257       1.23605227       4.71225595    
 H   -2.15752268       2.25275421       4.11781311    
 O   -3.91388106       4.25187778     -0.656260729    
 H   -4.30909681       3.58472729      -7.75451288E-02
 H   -3.49056888       3.76157284      -1.37119126    
 O  -0.217348903       1.23095417       1.49639404    
 H  -0.696640730      0.488445461       1.09936392    
 H   0.112062082      0.924700975       2.35060716    
 O  -0.376624584       3.12661862     -0.591278970    
 H  -0.160131112       2.47397065       8.78184289E-02
 H  -0.695658743       3.90831256     -0.122946814    
 O   -5.60146952      -4.28990364       1.62849212    
 H   -5.08655262      -4.33453894      0.813696206    
 H   -4.96095324      -4.36759186       2.34862924    
 O   -1.80388713       5.21327591      0.772424281    
 H   -1.80035758       6.16088057      0.872918129    
 H   -2.59751582       4.98580742      0.255106449    
 O   -4.13410378      -3.98528147     -0.854402304    
 H   -4.54314423      -3.14147449      -1.10125303    
 H   -4.27374840      -4.57934237      -1.58932519    
 O   -3.17976117      -2.48252320       5.80613804    
 H   -3.37261200      -2.54493880       6.73773289    
 H   -3.55768347      -1.64059043       5.49727774    
 O   -2.31484175       2.58548284      -2.40530252    
 H   -1.57056260       2.74534035      -1.79661942    
 H   -1.99514818       2.77167058      -3.28368950    
 O   -3.73561954      0.594528317      -1.08874202    
 H   -3.26640463       1.21944678      -1.65550065    
 H   -4.04736805       1.08874595     -0.313261747    
 O   0.400415093      0.294023603       4.07568884    
 H    4.63791601E-02 -0.605487704       4.19237947    
 H    1.20965087      0.335375488       4.57881069    
 O   -3.51291251      -4.09879494       3.51971388    
 H   -2.61118007      -4.35664225       3.28614998    
 H   -3.47370625      -3.67949414       4.38946915    
 O   -6.12004328      0.741793334       2.84154820    
 H   -5.58683968      0.496200085       3.60737658    
 H   -6.35303164      -8.17182586E-02   2.39267778    
 O  -0.649205804      -2.17357635       4.44790840    
 H  -0.633938491      -2.92196679       3.83972621    
 H   -1.44539285      -2.27417469       4.98246813    
 O   -2.21805000       2.95415616       2.40204072    
 H   -1.52565503       2.35847592       2.07941079    
 H   -2.05426407       3.81462836       1.99829459    
 O   -1.80207264     -0.749735236      0.426161915    
 H   -2.38567567      -1.01812077       1.15457511    
 H   -2.36992884     -0.298954070     -0.210696980    
 O  -0.855558634      -4.41381645       2.68299770    
 H  -0.236538187      -5.13589478       2.61934805    
 H   -1.03787518      -4.11763811       1.77291238    
 O   -4.50495052       2.08946562       1.06760252    
 H   -3.73876119       2.35657215       1.59432650    
 H   -5.14707994       1.69685102       1.67491794    
 O   -1.51420891      -3.52214289      0.222222686    
 H   -1.45942330      -2.55716252      0.189097792    
 H   -2.37499809      -3.74553180     -0.150716618    
          69
 Energy    -248.68731878346802     
  O     15.68186843      5.25833977    -16.37743364
  H     15.93627318      6.18848859    -16.43876653
  H     18.82735074     11.07415371    -14.60719504
  O     18.21384395      6.08137053     -9.98110376
  H     14.72189919      5.25678038    -16.27377563
  H     16.91668317     11.12167208    -15.98951386
  O     13.86622343     10.46147885     -9.80552271
  H     18.19136588      5.86172198    -10.93035919
  H     16.21877935     11.33983009    -17.35263608
  O     19.96499569      9.75136096    -13.82929717
  H     18.79740764      5.45089513     -9.56778781
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  H     12.12351266      4.93431040    -15.78357397
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  H     13.23142033      5.02054546    -14.70360447
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  H     19.29643393      9.05185940    -13.93122431
  H     15.62396878      9.02603760     -7.26536869
  O     19.21123251     10.96540616    -11.35686137
  H     16.81620370      2.96283934    -14.51871270
  H     15.60344653      8.13267755     -8.52897723
  O     16.08918531      8.02908923    -16.09560424
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  H     12.77400902      9.23613423    -10.42527832
  H     14.11699308      5.34786321    -12.65778135
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  H     11.38412602      8.80428895    -10.93038809
  H     17.74925792     13.70218773    -12.01928208
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  H     16.38285337      6.26857815     -9.51726322
  H     18.14033253     12.20688989    -11.92163037
  O     16.34149169      8.83934771    -11.98647284
  H     14.98424633      6.53990243    -10.11260930
  H     17.39702251      9.05000954     -9.15230175
  O     12.93096307      5.38640015    -15.55646771
  H     15.03584046      7.62731633    -11.89382471
  H     18.26539573      7.94177172     -9.81118485
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  H     13.51495006      7.49715197    -11.51051325
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  H     19.57813790     10.51984221    -12.13086917
  H     14.75058390     11.21734210    -12.99238512
  O     17.52793224     12.83483242    -12.34714077
  H     18.92254829     10.27301105    -10.74847579
  H     13.32356782      7.13448650    -15.00707259
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  H     16.16934207      8.94123556    -16.40176789
  H     13.89308406      7.62798668    -13.66282259
  O     15.17022761     11.32662238    -12.12472845
  H     15.28379674      7.99368672    -15.55799444
  H     14.77840190     10.80474678    -15.30099833
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  H     18.14140072      6.35774791    -13.15813832
  H     13.84636391      9.79679666    -14.60069720
  O     14.14204730     10.71590404    -14.58152985
  H     17.61785245      4.90965632    -13.12046442
  H     17.38277662      7.93121103    -14.82691154
  O     17.92611502      7.96462999    -14.02945086
  H     17.88038063     12.16905932    -14.08731771
  H     17.35460694      8.30651721    -13.32382737
          69
 Energy    -248.68704249861901     
  O     17.18019310     11.69627563    -18.20729199
  H     17.33158870     11.10860336    -18.94297238
  H     18.85029323     13.50888294    -16.67755193
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  H     13.44286910     13.43843613    -11.64255243
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  H     18.46227975     18.60277600    -13.88254499
  H     14.16916551     13.40824892    -13.00994676
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  H     21.12614419     16.07513552    -13.85244928
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  H     19.00712486     11.55553485    -13.52268534
  H     19.87272965     16.93229448    -13.59054246
  O     16.52047830     11.72405892    -11.58035928
  H     19.28940359     12.83393816    -12.68274935
  H     17.72957253     14.33954937    -11.65665189
  O     14.06677872     13.31157902    -14.72654515
  H     16.35737608     15.72739686    -12.97721171
  H     19.09840493     14.34572689    -10.95057185
  O     21.37785235     12.95318322    -15.54564512
  H     15.56591260     14.83332278    -11.98293324
  H     16.59961373     11.05385057    -15.00674138
  O     22.09340417     15.56512056    -15.38863915
  H     13.82102553     16.02263396    -16.97423910
  H     16.42637465     11.48895391    -16.50616542
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  H     15.06267332     15.13064911    -17.20865444
  H     20.74182308     16.47567750    -16.36137780
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  H     19.52396190     17.37785529    -16.06422941
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  H     17.20855045     12.35363586    -11.32479669
  H     17.95077280     18.82339065    -11.73460675
  O     14.30604219     13.45940173    -12.04651909
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  H     17.86150183     20.34225068    -11.95861243
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  H     14.11507970     14.06149239    -15.33065765
  H     20.34248453     16.01685734    -11.49983925
  O     18.44999499     13.76196958    -11.36322865
  H     20.78593366     12.91270632    -16.30752872
  H     20.96370066     15.98632475    -10.08036073
  O     16.11567739     11.63966847    -15.60435781
  H     20.85936705     12.67239044    -14.77906865
  H     17.66046758      9.37888257    -13.35536690
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  H     21.89425335     14.61403543    -15.43799704
  H     17.13421545     10.74620493    -12.85236094
  O     18.06644989     19.52311690    -12.39990572
  H     23.03634969     15.65446316    -15.49738223
  H     18.51535346     13.40434719    -14.53836602
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  H     17.16645961     16.77302686    -11.06334326
  H     17.18834150     13.11526070    -15.28877451
  O     17.56003005     10.29350561    -13.60495370
  H     18.59138002     16.92823929    -10.50471541
  H     19.16819996     16.15281933    -18.06735347
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  H     17.03097840     14.92839184    -18.50664744
  H     19.00795699     16.09967232    -19.60359938
  O     18.76174103     15.65165555    -18.79924766
  H     16.40328612     13.52434099    -18.38222092
  H     17.10517887     15.32941552    -14.92329262
  O     16.56710918     16.11625027    -14.74116971
  H     19.29464993     14.02621826    -18.05917563
  H     15.79768730     16.05680508    -15.31807116
          69
 Energy    -248.68695922331443     
  O     -1.47436232     -5.88345012     -3.85462125
  H     -0.71395203     -5.68697446     -4.41450138
  H      2.71679366     -2.11384829     -3.31504634
  O     -3.66103454     -4.61459381     -4.83273553
  H     -1.27371349     -5.53577370     -2.97674667
  H     -2.75334481      1.88554727     -0.77803819
  O      0.45922140     -4.95397811     -5.80652229
  H     -2.92650065     -5.16636132     -4.50496914
  H     -1.71124503      0.82477410     -1.20708890
  O     -3.68778262     -1.44753713     -0.40118674
  H     -4.38089477     -5.20486503     -5.03745674
  H      0.97898160     -2.08335262     -0.55268545
  O     -0.78957341     -1.93078369      1.94299676
  H     -0.26479840     -4.39024565     -6.13194803
  H     -0.19511799     -1.31826423     -1.22326317
  O      2.07227745      1.00313563     -2.24658330
  H      0.76892649     -5.46606553     -6.54860994
  H     -2.46061271     -4.49780410      1.46029036
  O      1.54063597     -3.35065152     -3.78820470
  H     -3.51749973     -1.87569919     -1.25005858
  H     -1.05086951     -5.05367839      1.74712118
  O      0.46732475     -4.27190329      2.69007411
  H     -3.28532025     -0.57176946     -0.43573170
  H     -3.58253483     -2.38683064      1.02900006
  O     -0.82301017     -1.81539712     -4.12083689
  H     -0.56202863     -1.99006265      1.00175074
  H     -4.21176058     -2.82291403      2.37396123
  O      2.75220009     -1.76796157     -0.19700146
  H     -1.71792449     -2.18807177      2.01946541
  H     -0.98273584      0.97632023      0.85006468
  O      2.33913961      0.89514255      0.59812801
  H      2.24606674      1.07121077     -1.29877931
  H     -0.42691611     -0.10307392      1.79343393
  O      3.34627746     -1.47337280     -2.94282690
  H      2.57011622      0.23799958     -2.56103514
  H      2.78553578     -3.47488497      0.56886175
  O     -2.33815197      1.07178854     -0.50316908
  H      1.64170646     -3.96376719     -3.04138072
  H      1.93880364     -4.41536331      1.45598171
  O      0.02539757     -2.10555700     -0.71116212
  H      1.31535136     -3.88916800     -4.55676423
  H      2.09546565     -4.95581593     -0.86331799
  O     -1.83581188     -5.18776863      1.20171614
  H      0.63123311     -4.33439205      3.62829752
  H      0.72876409     -5.18569605     -1.52640833
  O     -3.41916143     -2.88883195      1.84887431
  H      0.09399102     -3.38957554      2.52963054
  H      0.36364758      0.57493025     -2.33894740
  O     -0.24026945      0.77332499      1.43129636
  H     -1.55811916     -2.20003835     -3.62122240
  H     -0.65717778     -0.36017380     -3.07204931
  O      2.62377509     -4.40513653      0.77748080
  H     -0.02927292     -2.33412574     -3.92850149
  H     -1.41743527     -4.90258153     -0.48794254
  O      1.66769482     -5.09628996     -1.72065886
  H      2.69596672     -0.87132637      0.15824201
  H     -0.65691570     -3.72145084     -1.16378222
  O     -0.52924808      0.20200756     -2.29655361
  H      3.08021397     -1.69668905     -1.10308288
  H     -1.37414357     -2.60874127     -5.75787177
  O     -1.11437348     -4.55809803     -1.34149259
  H      1.41532246      0.89549356      0.90592821
  H     -2.43010751     -3.69379649     -6.02611081
  O     -1.62795945     -3.29737134     -6.38813198
  H      2.82077472      1.47917462      1.17780091
  H     -3.38074991     -3.43853182     -3.39479136
  O     -2.96060212     -2.93954373     -2.68267362
  H      4.17288442     -1.60776286     -3.40005934
  H     -2.42519746     -3.57013848     -2.17941293
          69
 Energy    -248.68652710081102     
  O     11.35765628     10.34573471    -14.56654084
  H     11.93230396     10.59005702    -13.82840656
  H     15.82593538      6.86283659    -11.06623181
  O     13.75201863      5.35285558    -17.48255784
  H     11.93852442     10.32702712    -15.33704642
  H     14.27419257      8.12348662    -14.11413681
  O     14.45613887      5.92066333    -11.71958751
  H     13.47842861      5.01577487    -18.33123082
  H     13.53769156      8.86240385    -12.97620583
  O     18.78974382      5.89619250    -10.74213645
  H     13.13292292      6.06836277    -17.25042827
  H     13.59365373     10.53093510    -17.36352615
  O     13.31068601      4.00574674    -14.98000511
  H     13.67187363      5.52633371    -11.32178870
  H     14.10325554      9.60825887    -16.23325475
  O     12.11555951      7.37068938    -16.72819115
  H     14.14982861      6.65167309    -12.28066322
  H     11.61374245      4.26975233    -10.34091085
  O     15.37009063      9.68807425     -9.78122222
  H     19.33653568      6.12165586     -9.99457383
  H     11.64212731      4.85846652    -11.77453186
  O     11.06865785      7.65721326    -14.02550619
  H     18.01991333      6.48778963    -10.70222146
  H     10.91795862      7.73791541    -12.00525821
  O     18.57655022      4.62705994    -13.13267152
  H     14.17991672      4.05827021    -14.56397651
  H     11.38740601      6.79417417    -10.88334875
  O     18.45127818      6.99407372    -14.75921447
  H     13.42482535      4.35825210    -15.86986277
  H     16.74079045      4.52453038    -13.52934116
  O     16.04620356      6.17329210    -16.09576067
  H     11.61944783      7.36234289    -15.90291559
  H     15.36581669      5.03283785    -13.01279981
  O     16.55307320      7.46568375    -10.85560341
  H     12.45815623      8.26867844    -16.81873691
  H     10.96275349      5.73328883    -13.74720742
  O     13.71756344      7.98449052    -13.33904121
  H     14.40612259      9.67009160     -9.73275863
  H     11.89815331      4.51740692    -14.00012334
  O     13.30220994      9.95209786    -16.66352147
  H     15.59235332     10.31541515    -10.47960560
  H     11.94152248     10.15321874     -9.25591423
  O     11.95099169      4.99512135    -10.85830520
  H     10.91765712      8.59228662    -14.23031712
  H     12.01447099      9.00464425    -10.28705427
  O     11.15896234      7.71312888    -11.07342723
  H     12.01265330      7.60702713    -13.80343240
  H     15.64331407      7.87132701    -15.75301093
  O     15.81583013      4.64312183    -13.77591649
  H     19.20179042      3.90939695    -13.19328539
  H     16.04688084      8.92222985    -14.68464659
  O     11.19738830      4.85730823    -13.42226043
  H     18.69746634      5.03270628    -12.25658840
  H     14.17020015     10.91791396    -12.42874114
  O     12.50311516      9.76336366     -9.92095975
  H     18.62345145      6.20228350    -14.23467098
  H     12.95896562     10.45536550    -11.56596701
  O     15.42482789      8.74849009    -15.40293473
  H     17.78635385      6.72950118    -15.40731634
  H     16.56833364     11.93008847    -12.29278913
  O     13.25618432     10.61006873    -12.47303141
  H     15.35582270      5.86580367    -16.69632312
  H     16.50184641     10.41718007    -12.59500787
  O     16.01458889     11.15888348    -12.19882052
  H     15.95476511      5.64822173    -15.28615592
  H     17.75721904      8.31347605    -13.74448673
  O     17.18112595      8.87926057    -13.20916885
  H     16.17797352      8.20415989    -10.35511671
  H     16.95717147      8.36657077    -12.41982848
          69
 Energy    -248.68638266727089     
  O     17.12900703      9.51814805    -14.68709684
  H     16.56803764      9.53513752    -13.89563041
  H     10.91373945     10.59342351    -11.14742347
  O     14.23178090      7.73799923     -9.01927712
  H     17.46556904     10.41153189    -14.81848026
  H     19.05209780      4.71874708    -11.45021732
  O     12.24242808      7.29214432    -11.01771338
  H     14.95457075      7.48264609     -9.61843142
  H     20.01158074      4.29001441    -10.32506404
  O     16.14335018      7.01457989    -15.36032138
  H     14.39334838      7.29775827     -8.18893522
  H     15.94557153      6.46269150    -11.55563898
  O     19.26700805      8.06960908    -13.67982181
  H     12.85198242      7.36722421    -10.27380329
  H     17.08324243      7.25416053    -10.83109774
  O     19.98462067     10.69485636    -12.83192636
  H     11.92427802      8.18788536    -11.18335537
  H     17.02245028     12.67308091    -13.51121194
  O     18.85054639      7.64990719    -10.97019005
  H     15.18131024      7.09057701    -15.45202621
  H     15.48192382     12.72433427    -13.48465284
  O     12.76489332      5.55223462    -13.02169276
  H     16.47615120      7.91605804    -15.24638470
  H     17.73155325      6.16987872    -15.43724040
  O     14.07616815     12.27711560    -14.56803932
  H     18.53855405      8.60699390    -14.02692454
  H     18.92564030      5.53505822    -16.18242966
  O     13.43538390      7.34467596    -15.17047034
  H     19.26927677      7.26528251    -14.20977598
  H     15.70806552      8.53166745    -11.92718580
  O     13.18559495      9.76469067    -13.72713351
  H     19.64222920     10.67719957    -11.93007210
  H     15.75571551     10.07824878    -11.84501282
  O     11.66210520     10.05580160    -11.39076839
  H     19.98918564      9.77636012    -13.13070834
  H     19.04449608     11.63099580    -13.98049949
  O     19.52885444      5.03803405    -10.66436339
  H     19.00514760      7.76568130    -11.91922102
  H     18.94756590     12.56087942    -15.21318324
  O     16.12932000      7.10364519    -10.85433517
  H     19.17817510      6.76772433    -10.74004529
  H     16.24896138     12.00065046    -11.39453122
  O     16.26912533     12.83617611    -12.93253753
  H     12.55021670      6.17177681    -12.30148084
  H     17.10653937     11.08458852    -10.45562313
  O     18.63140660      5.81985591    -15.32082846
  H     12.08901122      4.87991362    -13.01603353
  H     14.60193721      5.40491717    -13.00782370
  O     15.58331194      9.33706324    -12.44162043
  H     13.73730937     12.49229064    -15.43351289
  H     15.77173625      6.04481161    -13.79943761
  O     18.42605406     12.02742858    -14.61972545
  H     13.70787436     11.40797109    -14.34917371
  H     19.34897219     10.43430987     -9.43515237
  O     16.20689808     11.36147838    -10.66317397
  H     13.09844981      6.70859950    -14.52835072
  H     18.83712961      9.33476455    -10.39199284
  O     15.56158184      5.51346239    -13.01927451
  H     13.26076499      8.21479088    -14.78682690
  H     14.56343372     10.88766604     -9.92570143
  O     18.82807203     10.29213750    -10.22250331
  H     14.02368808      9.56684986    -13.28062160
  H     13.93412138      9.59841963     -9.34683477
  O     13.72230352     10.47781577     -9.68372344
  H     12.54013406      9.89596639    -13.02137268
  H     18.42933182      4.72150875    -13.74995316
  O     18.12716785      4.34769916    -12.91385320
  H     12.38568553     10.28998928    -10.78074060
  H     17.18763685      4.56871827    -12.87047363
          69
 Ord_Energy   -248.685883    
 O   -4.74197292       7.65947199      -5.76986122    
 H   -4.31279802       8.42664433      -6.16818380    
 H   -4.70732689       6.94709063      -6.42817068    
 O   -2.38102436       2.67965817      -5.58839560    
 H   -3.24211407       2.79442430      -5.15830564    
 H   -1.88109267       3.46995497      -5.36482334    
 O  -0.682101488       4.84809542      -11.7882366    
 H   -1.00677824       4.40004444      -10.9895706    
 H   0.104660057       4.38287115      -12.0618372    
 O   -1.76692510       3.73736668      -9.52399445    
 H   -1.72093284       4.42969990      -8.84927464    
 H   -1.90613639       2.90191770      -9.05936337    
 O   -8.03932762       5.37781477      -8.14702606    
 H   -8.88948154       5.25239515      -8.56184673    
 H   -7.39457560       5.50555992      -8.86480522    
 O   -7.30308294       7.99034023      -7.11481094    
 H   -6.59275293       7.86143160      -6.47569561    
 H   -7.61143398       7.11103296      -7.36152458    
 O   -5.14641714       2.10505509      -8.72458458    
 H   -4.27313375       1.79377604      -8.45703697    
 H   -5.00745440       2.57644606      -9.55545807    
 O   -4.29387760       3.80968642      -10.8389759    
 H   -4.06396770       4.12500191      -11.7252636    
 H   -3.46479297       3.80076981      -10.3432512    
 O   -3.60778761       9.79804611      -7.24200153    
 H   -3.38171768       10.6890430      -6.99000931    
 H   -4.41866684       9.85485458      -7.78278446    
 O   -3.24922776       4.94795895      -13.1111660    
 H   -2.33459616       4.88327312      -12.8084354    
 H   -3.40861416       5.88955736      -13.2467585    
 O   -6.34900904       3.55977821      -6.73971510    
 H   -7.05881596       4.08618164      -7.12609577    
 H   -6.01892185       2.95863366      -7.42765713    
 O   -3.38654804       7.82625389      -13.2030487    
 H   -3.27682185       8.40744305      -13.9506340    
 H   -2.54477000       7.83476448      -12.7110510    
 O   -1.90004706       5.72378159      -7.61025333    
 H   -1.57412088       5.63638496      -6.70772362    
 H   -2.86343861       5.60229492      -7.56587029    
 O   -1.36290467       5.30865097      -4.87616634    
 H  -0.649105132       5.48471498      -4.26782513    
 H   -2.18107152       5.58551788      -4.43346500    
 O   -5.82371902       9.69532108      -8.75039291    
 H   -6.45683384       9.14797688      -8.26243401    
 H   -5.57290697       9.20113564      -9.54079723    
 O   -4.65194130       8.02279186      -10.7071829    
 H   -3.85319591       7.99215317      -10.1612720    
 H   -4.35611391       8.01760769      -11.6255541    
 O   -4.60171747       5.55729246      -7.52309799    
 H   -5.07869816       4.81012487      -7.13935232    
 H   -5.02109909       5.73031425      -8.37532425    
 O   -1.17914510       7.65797710      -11.6350441    
 H   -1.44363105       7.86396837      -10.7287502    
 H  -0.909759521       6.73059750      -11.6414280    
 O   -4.77670622       3.40423894      -4.44042540    
 H   -5.44594860       3.42619419      -5.13950968    
 H   -4.60207510       4.31723213      -4.19042921    
 O   -2.34158230       8.04684734      -9.07879448    
 H   -2.64813566       8.70672989      -8.44460583    
 H   -2.09627032       7.26347685      -8.56769753    
 O   -2.42873287       1.49835324      -7.99890566    
 H   -2.39637303       1.89689755      -7.10952616    
 H   -2.11680603      0.601883650      -7.91054821    
 O   -5.99384212       5.76138306      -9.92510223    
 H   -5.47335196       5.03805971      -10.3039227    
 H   -5.63015366       6.58843374      -10.2697134    
 O   -3.80005598       6.10055542      -3.75573754    
 H   -4.16838026       6.71896315      -4.40995646    
 H   -4.10511494       6.39136028      -2.89972210    
          69
 Energy    -248.68587822718155     
  O     16.13761866      9.75548891    -16.72270873
  H     15.26562739     10.03618354    -16.40592130
  H     19.23901971      7.50428518    -16.52463938
  O     15.33841002      4.60834941    -13.09841842
  H     16.01614494      9.20729604    -17.50671004
  H     17.31770991      7.93532077    -14.24138703
  O     17.50531216     13.24095077    -11.33751308
  H     14.56784453      5.17256500    -12.96736989
  H     16.38685347      8.62294228    -15.30395935
  O     18.94720103      7.53936706    -13.44607007
  H     16.05821626      5.00332426    -12.59107300
  H     13.29779181      9.48430012    -15.33497632
  O     14.09900149      6.50871028    -17.26731022
  H     17.54951675     12.76187671    -12.17765079
  H     13.95316054     10.71352481    -14.64807814
  O     16.37672223     10.54782924     -9.12215510
  H     16.58996235     13.16180434    -11.04340498
  H     15.91444499      8.26533007    -11.14219397
  O     14.77692650      8.56410091    -12.48818596
  H     19.06861153      8.30909796    -12.87132689
  H     16.96058419      7.20468529    -10.74227972
  O     17.48345523     11.35714358    -13.40927697
  H     19.41781948      7.69125117    -14.27609488
  H     11.51182806      7.68697414    -15.36523199
  O     13.09510303      6.47736814    -12.78069575
  H     14.71653471      5.98239032    -16.73892927
  H     12.63268306      7.22182743    -14.41526367
  O     16.09127359      5.46145326    -15.62391024
  H     13.51190949      6.93845293    -16.63584949
  H     19.64656050     12.10750018     -9.22337357
  O     17.65438968      5.75665895    -11.76775984
  H     17.28305648     10.87838832     -9.16202884
  H     18.51881277     12.30298580    -10.26655039
  O     19.89341448      8.01390368    -16.01337338
  H     16.41229047      9.63333805     -9.42928101
  H     18.00273289      9.08082653    -11.18518392
  O     16.41109531      7.99919076    -14.56579684
  H     14.63854651      9.51686968    -12.56416211
  H     18.99517514     10.24606901    -10.95699220
  O     13.75484587     10.31578725    -15.50574741
  H     15.33754419      8.31661632    -13.24202876
  H     14.30077667     12.86608764     -9.82095255
  O     16.62453949      8.07843754    -10.50928444
  H     17.88862053     10.72753417    -12.79937919
  H     15.35315612     11.73724969     -9.92582977
  O     12.45719612      7.71696269    -15.22899007
  H     17.89977772     11.20825537    -14.27012323
  H     17.38860063      7.03666468    -17.95326839
  O     18.97468655     11.64235066     -9.71349402
  H     12.55438487      6.30915000    -12.01254524
  H     17.45967304      6.01614917    -16.80708816
  O     18.72115946      9.58052823    -11.59979022
  H     13.65354170      7.24732178    -12.57028790
  H     14.64719527     11.73405931    -12.15463896
  O     14.88844116     12.42810506    -10.43078169
  H     16.17325955      6.36794554    -15.28799059
  H     15.67756829     11.31006325    -13.23001823
  O     18.00414239      6.59913432    -17.35307132
  H     15.84693163      4.93673612    -14.85143840
  H     19.12035777      9.81397790    -15.89985649
  O     14.73960185     11.25628280    -12.98768011
  H     18.25426771      5.07971221    -11.46152360
  H     17.74923347     10.41863249    -16.24862224
  O     18.58692019     10.60899189    -15.79915718
  H     18.14879007      6.29146150    -12.41100953
  H     15.61863466      7.89275480    -19.70819825
  O     15.86462608      7.87381274    -18.78775492
  H     20.72959534      7.90878847    -16.45946824
  H     15.16842250      7.37850023    -18.31838480
          69
 Energy    -248.68527528093534     
  O     14.03704043     13.38828241    -10.33401447
  H     13.38920387     12.74452919    -10.02008329
  H     12.34852607     11.34549932    -14.63136272
  O     13.91605431     12.67068648    -17.64780961
  H     14.85637776     13.22968719     -9.84603949
  H     13.25816672     15.71554237    -17.00294010
  O     15.07174499      9.10938821    -11.57174365
  H     13.56369104     11.90798473    -17.16879701
  H     13.51155559     14.19296021    -16.89259724
  O     16.50944651     15.22354300    -12.48243586
  H     14.87565797     12.57636377    -17.61024951
  H     12.56594097     14.87779119    -13.27935926
  O     13.27935101     10.52353251    -15.95835373
  H     15.10176604      8.22255007    -11.95117170
  H     12.42962903     14.70347443    -14.80619173
  O     14.92487713      6.63780456    -12.87509299
  H     15.74351318      9.64401850    -12.01754698
  H     11.51260002     11.23554645     -9.00724991
  O     15.21021720      7.45223652    -15.44076209
  H     16.42306820     14.97927129    -13.41305474
  H     12.24555380     10.75711885    -10.28181516
  O     14.54493252     12.46649258    -12.96134732
  H     15.62070168     15.49118488    -12.22484778
  H     12.25081230      7.70955132    -15.02459854
  O     12.37590822      9.85443113    -11.79038280
  H     12.90041625      9.64120742    -16.06163522
  H     11.76914835      7.35693772    -16.45303787
  O     16.03063268     10.13842693    -15.48306741
  H     14.21137511     10.39945679    -15.72920477
  H     14.05211538     10.50351289     -8.98667480
  O     16.69371030     12.47568838    -16.90114005
  H     15.33434092      5.78930056    -12.73068454
  H     15.08089897      9.73479287     -9.83342448
  O     12.01627261     11.70246928    -13.79505429
  H     15.10309811      6.88486704    -13.80065850
  H     15.94693196     11.68032668     -8.93660851
  O     13.41995751     15.01459740    -16.37736753
  H     15.60236881      8.33097534    -15.53639364
  H     16.73591990     12.73033772     -8.11785839
  O     12.04341414     14.43938925    -13.96142431
  H     14.30919057      7.52146818    -15.77894390
  H     17.32253674     11.45871630    -12.43332364
  O     12.33778306     11.30108102     -9.48041163
  H     14.45668583     12.79574998    -12.05891130
  H     15.90320141     11.38897569    -12.98340249
  O     12.41090032      7.87171205    -15.97171605
  H     13.66443574     12.20664393    -13.25807066
  H     13.72463555     14.90310999    -11.22130219
  O     14.97643138     10.22938978     -9.00838785
  H     12.18614932     10.48599620    -12.50083024
  H     13.34092426     16.39334598    -11.34070423
  O     16.34236809     12.56978630     -8.97137913
  H     13.32596615      9.66188801    -11.79104675
  H     13.05099841      7.05121391    -13.05504256
  O     16.72351650     10.87220232    -12.91516349
  H     16.38702555     10.32085490    -14.60157287
  H     12.09012459      8.21175685    -12.72816201
  O     13.65443585     15.64558465    -11.84474338
  H     16.35591576     10.83953351    -16.06071587
  H     17.44301545     13.74891180    -11.76470950
  O     12.20115526      7.44021515    -13.29749965
  H     17.52690986     12.79668407    -17.23609249
  H     17.41792677     12.79916619    -10.55361373
  O     17.80166040     12.91474677    -11.43045117
  H     16.43233922     13.07257667    -16.17813726
  H     14.94290021     14.54253664    -15.38470126
  O     15.67084704     14.09314892    -14.93683223
  H     11.86572128     12.65504621    -13.89456360
  H     15.27516876     13.55037303    -14.23794460
          69
 Energy    -248.68501401662124     
  O     -6.34229519      2.43115916     -2.42355692
  H     -5.89995338      3.21526098     -2.07500423
  H     -1.87677088      1.45352547      2.35933615
  O     -2.37317145      4.26648443     -2.03584663
  H     -5.89098660      2.20069893     -3.24564189
  H     -1.62985905      3.01023973      0.66880482
  O     -5.96416140      0.17623298     -0.95976259
  H     -1.59908707      4.21936917     -1.46068662
  H     -2.70345483      1.92618663      0.40147504
  O     -2.36618449     -1.74646516      0.17168364
  H     -2.33322400      3.47221755     -2.58445366
  H      2.80987543      0.40559489      1.56237424
  O      0.65642559      1.00108341     -1.11435259
  H     -6.14883138      0.30239576     -0.02401282
  H      2.01323797      0.44767203      2.88101136
  O     -2.39059302      1.72098382     -3.24217399
  H     -6.23330731      0.98547053     -1.42693122
  H     -0.04838080      1.34314470      3.63911475
  O     -2.27316209     -1.90329625     -2.64640825
  H     -2.93670598     -1.61144836      0.93687212
  H      0.85797320      1.87678172      4.76769353
  O     -0.35397996     -0.20769913     -3.45123362
  H     -1.46734499     -1.51827567      0.45324579
  H     -3.88728045      1.61459645     -4.20792493
  O     -0.22493814      3.57823959     -0.32898399
  H      0.35909011      0.43031323     -0.39056490
  H     -4.68717330      1.72745465     -5.52641098
  O     -0.02824519     -0.60686370      1.05668976
  H      0.37250365      0.58962949     -1.93908001
  H     -4.26981723     -1.62183783      3.07099329
  O      3.07903989      1.61974233      0.09235887
  H     -2.70856427      1.38843199     -2.38754729
  H     -4.62953766     -0.35707498      2.26551832
  O     -1.61863554      0.73160925      2.95684391
  H     -1.64098303      1.16250101     -3.47671816
  H     -5.34461757     -0.83638816     -2.46296621
  O     -2.35467309      2.52482295      1.08128181
  H     -2.31156163     -2.08712098     -1.70040920
  H     -4.91315030     -0.31572935     -3.83903022
  O      2.40617042     -0.15558912      2.23691201
  H     -3.17734937     -1.68262331     -2.91623962
  H     -2.87336875     -0.11666448     -0.59048085
  O      0.84260848      1.67431126      3.83505055
  H     -1.02448630     -0.86231361     -3.17790986
  H     -4.20375646      0.61319931     -0.88898116
  O     -4.76520121      1.48998953     -4.60602832
  H      0.12841802     -0.59642685     -4.17538872
  H     -4.07225412      3.09945987      1.32925814
  O     -3.89889346     -0.94973654      2.50262957
  H      0.40073580      3.73905338      0.39221162
  H     -5.14036957      3.71019080      0.41838447
  O     -4.86052940     -1.08536837     -3.26109969
  H      0.03251121      2.72974229     -0.71510937
  H     -4.01966200      4.51941732     -1.50793406
  O     -3.25048517      0.74696629     -0.79940457
  H     -0.57635344     -0.13873965      1.70069951
  H     -5.18004306      5.52790776     -1.36595762
  O     -5.02959301      3.19849670      1.22839079
  H      0.85995276     -0.64688783      1.43876729
  H     -5.69033774      1.66641408      1.63830092
  O     -4.95248216      4.60956279     -1.24471164
  H      3.79692190      1.74890192     -0.52224682
  H     -6.83269465      0.88004106      2.32004257
  O     -6.01249963      0.76957829      1.84574883
  H      2.29186065      1.40814165     -0.43624750
  H      1.35427932      2.96371314      2.47760029
  O      1.62074101      3.48989069      1.71460228
  H     -2.36809791      0.12722067      2.98448327
  H      2.24984916      2.94233822      1.22760412
          69
 Energy    -248.68431478433948     
  O     11.62666355     10.46208720    -14.58074865
  H     12.16246472     11.26285240    -14.55032649
  H     15.79193882      5.96096216    -15.10424842
  O     15.82922260      6.69530316    -13.38322795
  H     11.99155853      9.92555817    -15.29836659
  H     19.10842814      7.35882565    -13.10241990
  O     17.28237722     10.61331049    -12.14499172
  H     15.50644023      7.49632135    -13.82885949
  H     19.60569700      6.11303986    -13.85012996
  O     17.31975858     10.56587243    -14.95143837
  H     15.21534139      6.53110527    -12.65613476
  H     15.13014258     11.21655764    -17.07959193
  O     12.73281061      6.12795822    -15.91744759
  H     17.49847312     10.87639889    -11.23859603
  H     16.09252720     11.55098622    -15.92248596
  O     15.40159541      9.36032255     -8.93219868
  H     16.33224166     10.77355105    -12.24125607
  H     15.77403823      9.49373362    -14.85441727
  O     14.15028003      6.60041643    -11.16271575
  H     18.00959011      9.99212929    -15.30645085
  H     14.32232774      8.99784573    -15.19300709
  O     14.55165443     10.89307066    -12.59092247
  H     17.47126907     10.66176965    -14.00114203
  H     10.03622115      9.04792256    -12.27906861
  O     16.74377774      7.96514682    -17.40509470
  H     12.12493494      5.46496162    -16.23441242
  H     11.18454713      9.51731724    -13.20278278
  O     16.57214063      6.84219913     -9.66833564
  H     12.55926257      6.23003652    -14.96413208
  H     11.72502638      7.30313694    -13.02858686
  O     19.14686357      8.70409049    -15.99692155
  H     15.77840676      8.48154999     -9.06215344
  H     12.82009664      6.34138567    -12.54024437
  O     15.59312331      5.84286133    -16.04276747
  H     14.57680266      9.36952303     -9.43313044
  H     17.66536718      8.82761131    -11.97520691
  O     19.63436026      7.06756805    -13.86316847
  H     14.88938206      6.49307659    -10.55257970
  H     17.14886411      7.44280515    -12.48562373
  O     15.29152182     11.85296887    -16.37358398
  H     13.83754338      7.50920122    -11.03559236
  H     16.71407783     10.53746055     -9.21487329
  O     15.00671769      9.01469494    -14.51369153
  H     14.18294118     11.63539316    -13.08293886
  H     17.58996605     11.70796445     -8.73595605
  O     10.96777383      8.93793472    -12.44986047
  H     14.62187086     10.16778758    -13.23307374
  H     15.59593271      9.08579232    -17.98767991
  O     12.22019746      6.51187438    -13.27562047
  H     17.59069466      8.14848373    -16.98674725
  H     14.94579489      9.77750242    -19.21075895
  O     17.81504231      7.87347389    -11.92507399
  H     16.37756803      7.18061914    -16.96993446
  H     12.38482860      9.14809444    -11.22560712
  O     17.46236814     11.10640795     -9.46407585
  H     17.16007037      6.31665745     -9.13163828
  H     13.72850348      9.88229129    -11.36110466
  O     14.89953824      9.71203009    -18.26108372
  H     17.10563393      7.20449286    -10.39504867
  H     13.32560202     13.58341554    -14.60296208
  O     13.25648417      9.23174136    -10.81984059
  H     19.34465665      8.10527961    -15.25750948
  H     14.10702466     12.39664809    -15.21174147
  O     13.47820425     12.64701734    -14.51102904
  H     19.97810576      8.88978272    -16.42693625
  H     12.86454191      7.90922797    -16.40192194
  O     12.96774093      8.86980526    -16.43193046
  H     14.62968064      5.84722773    -16.09176919
  H     13.53007821      9.10273584    -17.18209547
          69
 Energy    -248.68377021442731     
  O     14.98152624      9.76717351    -10.28199363
  H     14.68069577     10.31787492    -11.01809647
  H     16.57014433      2.90270904    -12.43982578
  O     12.75812289     11.00787757    -15.84889204
  H     14.20496792      9.34135895     -9.89560476
  H     12.21210101      8.34538558     -8.59692457
  O     16.93169561     10.95302498    -13.61587632
  H     12.87839350     11.81615641    -15.33572994
  H     13.49652940      7.56078085     -8.95961444
  O     14.49220298      5.40346948    -11.22960818
  H     13.53616322     10.94543411    -16.41562865
  H     19.18862263      7.05114157    -16.10097523
  O     17.53035723      6.73662650     -8.61846391
  H     16.05685496     10.91852194    -13.20246731
  H     17.94571351      7.83687636    -15.62415997
  O     15.98301929     12.92930964    -15.40987858
  H     17.59283944     10.76809295    -12.93942368
  H     14.44015494     13.24112399    -14.62171602
  O     15.89211784      7.69483873    -11.96706564
  H     13.70474052      5.80308175    -11.63198889
  H     13.29309775     14.12231951    -14.06832079
  O     14.29797718     10.96856288    -12.64493574
  H     14.90601292      4.77422904    -11.82802195
  H     12.62387947      9.63467476    -14.65410561
  O     18.54747317      7.54630014    -12.63600746
  H     17.57554915      7.67428571     -8.87589303
  H     13.45834903      8.38136495    -14.27276783
  O     18.93360608     10.10951476    -11.78740412
  H     18.03492058      6.65259723     -7.81301215
  H     15.38446536     10.74102066    -18.23393489
  O     16.36303365      5.14340885    -15.09424500
  H     15.78581956     12.36408689    -16.16775655
  H     15.79638183     10.22589251    -16.83678241
  O     16.44030323      3.83686335    -12.58250595
  H     16.47236712     12.37169633    -14.78977522
  H     12.38294488      7.73632869    -12.56873365
  O     12.87606831      8.24453960     -9.27344998
  H     15.48817507      6.88523277    -11.62511609
  H     12.43225870      7.51523650    -11.04029886
  O     18.52549395      7.08557728    -15.41587476
  H     15.61709541      8.41437996    -11.38699060
  H     15.64441524      6.47804751     -8.53945110
  O     13.57801997     13.21851086    -14.16931233
  H     13.76879488     10.26223240    -13.04394940
  H     14.60391444      5.85371795     -9.48633879
  O     12.79886294      9.00731468    -13.93785204
  H     13.99134874     11.79871934    -13.02908629
  H     17.91017145      5.67997758    -10.15423402
  O     15.27215374     10.89921824    -17.29976625
  H     17.60244476      7.58171292    -12.40925668
  H     18.48335217      5.99163059    -11.54458360
  O     12.40455109      7.05339621    -11.88721174
  H     18.61490091      7.34074457    -13.57602476
  H     15.27763076      6.54341009    -14.82254778
  O     14.69692049      6.34533495     -8.65602294
  H     18.91422556      9.18313395    -12.08518962
  H     15.23368559      7.54068791    -13.63272365
  O     18.13578807      5.27370034    -11.00039321
  H     19.84853008     10.38032006    -11.78082610
  H     16.64484106      9.60083848     -9.56351620
  O     14.94101369      7.40754831    -14.54714842
  H     16.44022867      4.64093333    -14.27203247
  H     18.08321744      9.69285321    -10.10220407
  O     17.56044896      9.35275485     -9.36834324
  H     17.19253299      5.62092015    -15.20857311
  H     16.00588957      8.54459321    -15.37196734
  O     16.69502420      9.14738326    -15.69436270
  H     17.05998867      4.29859300    -11.98966502
  H     16.86537657      9.78212866    -14.98246548
          69
 Energy    -248.68342262521679     
  O     13.21670032      8.53153350    -11.15864844
  H     13.26280792      9.32797150    -11.70357474
  H     16.69768322      6.18508537    -15.30826185
  O     14.25991356     11.29380958    -16.46436181
  H     13.74401887      8.66037897    -10.35341062
  H     17.89813144      4.99163482    -11.64213807
  O     16.45743182     10.99685858    -12.45922627
  H     13.95362094     10.41346869    -16.20844667
  H     16.41981954      4.81748176    -11.24475004
  O     14.41498409      4.16359633    -14.75983794
  H     13.85615616     11.90521449    -15.83677427
  H     18.98598061      8.01381641    -12.46959754
  O     16.11082286      6.16397756     -8.60392412
  H     16.67097085     10.84450761    -11.53188420
  H     19.10243888      8.64149676    -13.86753177
  O     16.16433500     13.29606928    -14.06713875
  H     15.53291813     10.74848046    -12.59886442
  H     14.41209554     13.21661004    -14.17669891
  O     15.49379667      7.48555092    -12.46379118
  H     15.29666297      4.50907970    -14.99164687
  H     12.97752403     13.80005300    -14.18718574
  O     13.75076031     10.46974326    -13.04424996
  H     14.26776421      3.39515261    -15.30400074
  H     14.58574159      8.52183409    -15.35845916
  O     17.80887833      7.85937599    -11.03274191
  H     16.14310866      5.58676137     -7.84394164
  H     13.15758281      8.01516947    -15.06923966
  O     17.21922700     10.23435352     -9.84089731
  H     16.53668489      5.67439121     -9.32229863
  H     17.19218822     12.17572166    -17.30648844
  O     18.93299796      5.22380243    -13.23712672
  H     16.37117426     12.62213491    -13.40492646
  H     15.98455075     11.62105730    -16.51690141
  O     16.83665144      5.23410017    -15.19190863
  H     16.53077535     12.96281946    -14.89582233
  H     13.16157813      5.64094100    -14.69454151
  O     17.29732358      5.02049731    -10.88677755
  H     15.33153029      6.53588188    -12.39229518
  H     12.35807434      6.27575156    -13.55382725
  O     19.41638432      7.90529303    -13.32904429
  H     14.73518436      7.91953085    -12.05584914
  H     11.47130552      5.85616826    -11.13615596
  O     13.46938707     12.98768566    -14.26617258
  H     13.51979919     11.35202879    -13.35914345
  H     12.53036928      6.95022680    -11.40472282
  O     13.66450934      8.81113051    -15.28142666
  H     13.69612341      9.87831544    -13.81025527
  H     13.89990023      5.10770095    -11.77722300
  O     16.92331839     11.87055834    -16.44414432
  H     17.86315121      6.95660996    -10.70514777
  H     14.65772281      4.45433467    -12.95952697
  O     12.58747454      6.38716799    -14.48331384
  H     17.00196717      7.85691004    -11.57315338
  H     15.98862151      7.77761181    -14.14658811
  O     12.27496488      6.03493072    -11.61702585
  H     17.91250402     10.59499274     -9.29381436
  H     16.92089937      8.64760454    -15.02279431
  O     14.77003651      4.79790308    -12.06249047
  H     17.54287108      9.38226336    -10.18306106
  H     15.65106179      9.30502767     -9.19098619
  O     16.26338512      7.94257123    -15.06304886
  H     19.14562500      6.16818490    -13.34334332
  H     15.31887930      7.82921445     -8.87183561
  O     14.92049138      8.68988586     -9.06421919
  H     19.74194832      4.74548956    -13.40309963
  H     17.78465265     10.66501918    -15.29347542
  O     18.00964912     10.04990683    -14.58410850
  H     17.56080095      5.14616960    -14.56216499
  H     17.53460698     10.36310790    -13.79983053
          69
 Energy    -248.68336753393058     
  O     12.04276829      9.67623138    -15.77313303
  H     12.65821957      9.05174311    -16.18356013
  H     15.66562467      5.41067576    -15.49662040
  O     16.35341560      6.93422008    -12.85315121
  H     12.47398738     10.53566791    -15.81884389
  H     16.22508844     12.17112128    -18.12892275
  O     16.32070438     11.01370382    -11.47894941
  H     17.00724100      7.49928911    -12.42152368
  H     16.03644799     10.72389700    -17.62058469
  O     17.47299053     11.04436008    -15.09865296
  H     15.57595856      6.90083006    -12.27999525
  H     15.89503606      8.25810525    -14.01394534
  O     13.78534375      5.30131591    -15.76848728
  H     15.85502503     10.76561251    -10.66799036
  H     16.33939830      9.56198008    -14.76503306
  O     14.65814110     10.06801021     -9.49413199
  H     15.63417808     11.09189275    -12.15723992
  H     11.34599963      8.94534535    -14.35297307
  O     14.10248580      7.01745376    -11.23692783
  H     17.55670656     11.74677582    -14.43766906
  H     10.04648450      8.49274943    -13.64852769
  O     14.26188413     10.99071342    -13.34182850
  H     17.02655722     11.40665296    -15.87042767
  H     18.16055834      8.01361083    -10.23989592
  O     18.18835818      7.32171007    -16.63192168
  H     13.36419184      5.55846159    -14.92813669
  H     18.88201414      7.07212778     -9.26337845
  O     15.40599529      7.38012389     -8.76616574
  H     13.32693093      4.52507276    -16.07805727
  H     13.11719917      6.26822834    -12.65859980
  O     19.05566992      8.90645269    -14.38327449
  H     13.87455658      9.92336468    -10.03983358
  H     12.01332374      6.88749766    -13.53631709
  O     16.58274172      5.61144142    -15.27787863
  H     14.90013388      9.20178600     -9.14565948
  H     18.44409153     13.27349917    -12.55591666
  O     15.90190364     11.66218695    -17.38996937
  H     14.48831537      7.01423727    -10.35257155
  H     17.29433555     12.27786178    -12.33324298
  O     15.59089936      8.98007588    -14.57860813
  H     13.66809614      7.87623221    -11.34524087
  H     17.52519440      9.62141985    -11.73202185
  O     10.99628713      8.49351005    -13.56417628
  H     13.99213857     11.56226917    -14.06702975
  H     18.54311428      8.87547604    -12.66811841
  O     18.05210413      7.51796459     -9.41164459
  H     14.65408363     10.20872718    -13.76447107
  H     16.99061928      8.52106404    -17.52015137
  O     12.62154176      6.14065100    -13.47714048
  H     18.81747651      6.80878391    -17.13340759
  H     15.45927467      8.60918599    -17.66068074
  O     17.73443384     12.82207379    -13.00627564
  H     17.60760052      6.68114477    -16.18328309
  H     13.25367490     10.07346701    -12.15881845
  O     18.09531816      8.84439959    -11.80920334
  H     15.30728967      7.00676835     -7.89420804
  H     12.03862883      9.13729892    -12.12874915
  O     16.28375512      9.04974129    -17.91045410
  H     16.35977429      7.40097399     -8.95670991
  H     13.25806574     12.98702551    -16.11228623
  O     12.77228842      9.45596642    -11.58859272
  H     18.85937761      8.28842679    -15.09670236
  H     14.38315433     11.97294641    -16.40337266
  O     13.60044924     12.13427202    -15.85382289
  H     18.67953558      9.74824338    -14.67843557
  H     13.92715160      7.02183656    -16.46618311
  O     14.06068135      7.96224171    -16.63390098
  H     16.56893120      5.94183708    -14.36793373
  H     14.60158913      8.29870586    -15.90008735
          69
 Energy    -248.68323708998992     
  O     19.43457808      5.81261847    -12.56224572
  H     19.76439798      6.51636040    -13.15000931
  H     17.60084563     13.18458892    -15.10896788
  O     18.16366921      9.90819924    -13.25386135
  H     20.19563262      5.33482067    -12.24463758
  H     13.18909988      9.68616813    -15.26684732
  O     12.83337192     10.01621460    -10.88675050
  H     18.67328560     10.66280557    -12.92237551
  H     12.19350444     10.66643266    -14.60171438
  O     15.30729020      6.82203649    -12.82566288
  H     17.23577513     10.18312355    -13.18221834
  H     15.09900112     10.00003434    -13.57004798
  O     13.60223549      7.25727934    -10.61535084
  H     12.97733647      9.06402246    -10.84432772
  H     15.15140160     11.52894149    -13.30459961
  O     17.24186949      5.44389931    -14.38884204
  H     13.63407169     10.42311501    -10.52989835
  H     13.42493298     12.92395592    -17.16600349
  O     14.04369911     12.99315107    -13.66437018
  H     16.10741384      7.14856005    -12.38860735
  H     13.39152707     11.72966447    -16.18160382
  O     17.13742519      9.36516815    -15.84340884
  H     14.61281859      6.85086660    -12.15618151
  H     16.56526425      8.04519652    -10.06281697
  O     17.64046282      7.71507556    -11.54723037
  H     14.38200846      7.58013681    -10.12596562
  H     15.73655263      9.25782740     -9.60871259
  O     16.69790083     12.14409823    -16.17728988
  H     13.14514352      6.65305814    -10.03625414
  H     19.51547983      8.64604686    -13.92760618
  O     18.34892382      6.91904126    -16.38095890
  H     17.94743439      5.38615745    -13.73219048
  H     19.56865571      7.60544417    -15.06692123
  O     18.08279015     13.77323026    -14.50187122
  H     16.46363742      5.76681816    -13.91731267
  H     15.34087499     14.01103793    -12.84549107
  O     12.55618364     10.39416111    -15.45378149
  H     13.99845821     12.98360962    -14.62912889
  H     16.81451898     14.28033293    -13.20354038
  O     15.54485101     10.68404544    -13.05411436
  H     13.23385001     12.57394262    -13.34442928
  H     18.85245230     12.81480693    -13.06130121
  O     13.89617590     12.52180471    -16.44156896
  H     17.57724119      9.56074525    -15.00455530
  H     18.57737276     12.51745654    -11.57142019
  O     15.82995927      8.30213920     -9.49050625
  H     17.54166905      8.55581107    -16.18143882
  H     17.43636391     13.78694901     -9.65169431
  O     19.99793620      7.87307867    -14.24366903
  H     17.89649662      8.49483070    -12.05636967
  H     16.79787874     13.63977205    -11.05325562
  O     16.16604444     14.37065358    -12.49341343
  H     18.28374662      7.02289715    -11.74428480
  H     10.92379765     11.74630590    -12.64967419
  O     19.12114799     12.25132375    -12.32288737
  H     15.75803539     12.27484011    -16.35159284
  H     12.14188111     10.91968358    -12.18155497
  O     17.21589558     13.14678722    -10.32335699
  H     16.84914549     11.19137488    -16.20353019
  H     15.47268224     10.78667711    -11.25987273
  O     11.79808451     11.46801776    -12.90928157
  H     18.51981817      6.38224543    -17.14974089
  H     16.02365362     11.69655074    -10.14868826
  O     15.43470546     10.94965247    -10.30483831
  H     17.90075250      6.34900064    -15.73010035
  H     15.44879766      8.85144581    -15.25955133
  O     14.63438062      8.68385022    -14.76556789
  H     18.58921805     14.36901494    -15.04803625
  H     14.80640593      7.95284543    -14.15652008
          69
 Energy    -248.68319113033294     
  O     12.44534134     10.94115550    -13.46361064
  H     12.56372199     10.30783818    -14.18447246
  H     15.40194431      5.89674123    -14.80700683
  O     16.10930614      6.42351183    -13.15180791
  H     13.04484588     11.67028536    -13.65906107
  H     19.53003810      7.61449313    -14.87388528
  O     18.29601458     10.52336381    -11.39618104
  H     15.55482858      6.06816536    -12.44697275
  H     20.08511670      8.66696281    -13.89953859
  O     17.84481868     10.13125304    -15.42924154
  H     16.89894738      6.78352617    -12.72429959
  H     15.25503715     11.14932428    -16.87711737
  O     12.23448305      6.48542749    -14.79830368
  H     18.14527836     10.48361470    -10.44261542
  H     16.52866972     11.28868198    -16.02686514
  O     14.85958930      9.89061535    -10.14276248
  H     17.47046295     10.84099798    -11.79260514
  H     16.39192521      9.27123242    -14.61778658
  O     14.60104350      5.61053897    -10.87373694
  H     18.54131893     10.39256288    -14.81507519
  H     15.76536061      8.09057898    -13.79485268
  O     15.82786423     11.12897217    -12.42159396
  H     18.20281873      9.40194821    -15.95320994
  H     11.41172329      9.85327327    -10.70288830
  O     16.23528279      7.52841884    -17.35704131
  H     12.29226680      6.61946378    -13.83449561
  H     12.29999357     10.10781441    -11.94177094
  O     16.26620199      7.45302305     -9.79032374
  H     11.44460035      5.97677522    -14.95854228
  H     12.38890135      7.82736377    -11.77098442
  O     18.79899665      7.81439099    -16.65697438
  H     13.92094529      9.75378889    -10.31546823
  H     13.14448593      6.47874117    -11.64831319
  O     14.91012896      5.82775761    -15.63613395
  H     15.18521637     10.38875636    -10.90645098
  H     20.64172426     11.22488122    -13.50365768
  O     19.89351560      7.72471407    -13.98668755
  H     14.64371381      4.76677530    -10.43155529
  H     19.44345934     10.62252265    -12.73537959
  O     15.71233491     11.74525654    -16.27203740
  H     15.17146879      6.22092793    -10.37446626
  H     18.85237543      7.55696988    -12.53248490
  O     15.62075480      8.99341339    -14.10545523
  H     15.69587148     10.34517585    -12.97848759
  H     18.20228232      8.66302661    -11.67981288
  O     12.23019676      9.59256524    -11.11785431
  H     15.41281557     11.86177766    -12.88928939
  H     16.42447259     10.26400590     -9.07479031
  O     12.47190751      6.94762959    -12.15732021
  H     15.73785586      6.89794124    -16.81410851
  H     17.40722135      9.20965170     -8.59809912
  O     19.93423610     10.58934792    -13.57430624
  H     15.63797157      8.25278071    -17.56684512
  H     13.83644073      9.47837934    -16.96753287
  O     18.19810391      7.70983180    -11.83400880
  H     17.00396690      7.46519368    -10.41573907
  H     13.75298059      9.75834514    -18.48653619
  O     17.34657452     10.14555311     -8.80429417
  H     15.77565723      8.27789105     -9.92160820
  H     14.89385272     12.49760173    -14.93608686
  O     14.36065572      9.71428295    -17.75256288
  H     19.35444146      7.60388364    -17.40267155
  H     14.39415809     13.80560021    -14.27896074
  O     14.46841121     12.86558684    -14.14018048
  H     17.88195514      7.63514173    -16.93688810
  H     14.04063757      9.01657523    -14.93512230
  O     13.18184640      9.03873992    -15.38813822
  H     13.98404666      5.95523111    -15.40105938
  H     12.77503950      8.17232528    -15.26260453
          69
 Energy    -248.68298153880218     
  O     13.82629861     13.69863261    -11.69536016
  H     14.67212727     14.05549629    -11.38689115
  H     12.24223873     11.11168509    -14.68326778
  O     15.12988745     10.23851598    -18.03810406
  H     13.53423978     13.03922353    -11.05469576
  H     14.52449005     12.98073924    -16.71381931
  O     15.73689744      8.31509065    -11.89303499
  H     15.21009117     10.19766485    -18.98678400
  H     13.05689324     12.52601435    -16.81961938
  O     16.40776323     14.48977804    -10.93231420
  H     14.66963881     11.07194436    -17.82817868
  H     12.08934457     13.37694295    -15.05366225
  O     13.99586120      8.71415933    -15.99403189
  H     14.85025206      8.68775798    -11.80635591
  H     10.76328593     12.95891418    -15.73342234
  O     15.13186435      5.63425758    -11.97007747
  H     15.65010844      7.35759525    -11.78451114
  H     17.97902571     12.27720891    -12.31270277
  O     15.76248491      5.34865544    -14.76664729
  H     16.78711285     15.31614245    -10.64618678
  H     18.22174234     13.16221933    -13.54568780
  O     14.96413190     11.79329803    -13.41173442
  H     17.04008003     14.09527560    -11.56000755
  H     12.90737084     11.50544707     -9.10166477
  O     13.06561217      9.28745202    -11.75301449
  H     14.28516125      9.16197774    -16.79831602
  H     14.30096236     11.58006102     -9.76900165
  O     16.33307377      8.11987822    -14.61731599
  H     14.80216695      8.52522610    -15.49001170
  H     16.59517736     10.36466885    -16.78402102
  O     18.25427464     12.85880145    -15.43100554
  H     15.42362102      5.39629658    -12.85924772
  H     17.07774902      9.63388330    -15.51899206
  O     12.70651613     10.38801776    -14.24461780
  H     14.18706089      5.81950750    -12.04461233
  H     13.30255043      7.04436480    -15.49767794
  O     13.90294966     12.50054032    -17.27940770
  H     15.98244298      4.58729047    -15.29620439
  H     12.83453996      6.35027886    -14.19501970
  O     11.63687372     12.64673743    -15.51392395
  H     14.82609623      5.55416335    -14.94147137
  H     16.19480702     12.87138268     -9.87267574
  O     18.12763386     13.19357395    -12.58674579
  H     14.57306497     12.44512548    -12.81377220
  H     16.44046403     11.43112105    -10.33386912
  O     13.34854506     11.47109567     -9.94693421
  H     14.23495885     11.26236926    -13.75498055
  H     16.80339496      9.79210554    -11.81438067
  O     17.23731709     10.41260416    -16.06605840
  H     12.85129893      9.68756551    -12.60984192
  H     16.37170528     11.09363331    -12.51383374
  O     13.19164324      6.18136514    -15.07574496
  H     13.10643478     10.00298205    -11.10757027
  H     13.23606358     14.39289716    -13.33003529
  O     15.98930582     11.95435856     -9.65617957
  H     16.32605631      7.16287791    -14.74667016
  H     13.96572985     14.50572968    -14.68457896
  O     17.05081846     10.71818537    -11.93017251
  H     16.17779149      8.26150580    -13.67356912
  H     11.64048101      6.37079182    -11.90153703
  O     13.09420407     14.56389672    -14.27080166
  H     17.92572819     11.96291326    -15.62895238
  H     12.60041475      7.56667729    -12.06905551
  O     12.44211183      6.64792185    -12.33920322
  H     19.04973268     12.97466598    -15.94354884
  H     16.51580478     13.63149578    -15.51157730
  O     15.56464680     13.67328004    -15.36477552
  H     13.06890514      9.80192407    -14.92523949
  H     15.38841734     12.97597489    -14.71364406
          69
 Energy    -248.68292584892424     
  O      1.11413921      0.98936123      5.02806703
  H      0.73115107      0.27554986      5.55389977
  H     -2.15235941      1.06965262     -0.15189097
  O      1.00844172     -1.47232489     -2.40048717
  H      0.36019563      1.53113910      4.76504277
  H     -3.32779933      0.21584833      5.50385443
  O     -0.33617503     -1.02781500      6.46592255
  H      1.16048291     -1.64801737     -3.32474386
  H     -3.19182922     -1.26155658      5.09303705
  O      1.40322833     -2.99592334     -0.02572226
  H      1.70348685     -0.85541779     -2.10649503
  H     -0.88039524      2.99797489      2.51067952
  O      3.72620094     -1.47528376      0.90015165
  H     -0.29210901     -1.09421431      7.41673197
  H     -0.62133971      4.30466171      1.71993836
  O     -4.77382947      0.98366785      2.20540904
  H     -1.26862797     -0.85561439      6.24492741
  H     -0.36643117     -0.55119070     -1.51070442
  O     -1.82603097     -4.54356248      3.33026431
  H      2.25456786     -2.64157436      0.25982248
  H     -0.20400675      0.36165550     -0.28126978
  O     -1.29568882      2.05815056      3.94885716
  H      1.21039192     -2.57488286     -0.87360741
  H     -2.09192672      0.21152415      1.82143488
  O      2.80985838      0.18535566     -1.23834215
  H      4.57696228     -1.77811909      1.20847127
  H     -2.30524393     -0.90651983      2.89048821
  O     -5.02030732     -1.72468920      1.31739828
  H      3.36836386     -0.90394607      1.60024582
  H      2.09852836      0.47523847      3.58194445
  O     -3.41301364     -2.22817953      3.53987423
  H     -4.99191711      0.08315416      1.93768434
  H      1.71990819     -0.68436698      2.64854037
  O     -2.63186729      1.57058249      0.52215771
  H     -4.15177002      1.30526363      1.53792947
  H     -4.71047992      2.32480656      5.06811289
  O     -2.93602923     -0.62250788      5.77283176
  H     -1.13329086     -4.15473701      3.89469008
  H     -4.31612466      1.51516902      3.81252412
  O     -0.69907940      3.35900855      1.62554357
  H     -1.98676138     -5.42428263      3.65874413
  H      0.56230816      2.14496082      0.92771673
  O     -0.86564978     -0.07401836     -0.83779836
  H     -1.30901889      1.17704663      3.54077806
  H      1.50386899      0.99912776      1.39403097
  O     -1.66490969     -0.27546283      2.53510922
  H     -2.17773935      2.16755116      4.32364579
  H     -0.03041458     -2.55805847      5.38708821
  O      2.33957870      0.05843120      2.74343268
  H      3.29099414     -0.35961310     -0.60285269
  H      0.36602331     -2.79540032      3.91788572
  O     -4.00011259      1.81943554      4.68230541
  H      2.26276561      0.77533035     -0.70135188
  H     -0.27388023     -1.33466548      2.32992807
  O      1.06050786      1.37836065      0.62248812
  H     -5.75908812     -2.14072606      0.88242727
  H      0.65910566     -2.28610871      1.49911701
  O      0.08233506     -3.25007215      4.72536828
  H     -4.24911831     -1.83603155      0.72962379
  H     -0.26465594     -4.03306949      0.35673794
  O      0.51839722     -1.89069568      2.36699716
  H     -2.94394084     -3.06674524      3.43997266
  H     -1.29881023     -4.34981922      1.47122962
  O     -1.19809021     -4.20489743      0.52216824
  H     -4.06933694     -2.16757822      2.83381269
  H     -2.16751326     -1.38904823     -0.41399685
  O     -2.80905715     -2.06285622     -0.16527910
  H     -2.04912429      2.28864666      0.79916879
  H     -2.29595787     -2.86142973      0.02714084
          69
 Energy    -248.68281071213056     
  O     -2.06382736      4.09467128      1.37541958
  H     -1.30078501      4.66951209      1.24016995
  H      4.13432715      0.78745387     -2.53908598
  O      3.51416132     -1.85022875      3.90678320
  H     -2.12458395      3.95945111      2.33042600
  H      0.07189070      0.39790278      3.53958145
  O     -1.54626645      1.46787438      0.84553756
  H      4.03934924     -2.37167747      4.50697458
  H      0.60045035      1.82747772      3.19562264
  O     -1.11321347      1.70071500     -1.86420129
  H      3.38700383     -2.38625779      3.10269970
  H      2.35336394     -0.67538110      0.07583255
  O      3.48928262     -1.79432620     -0.78056179
  H     -1.85151996      2.38455411      0.92114898
  H      0.90295646     -0.43020485      0.57538185
  O      2.16882423     -1.49173394     -3.26647729
  H     -1.01770334      1.32583450      1.64407496
  H     -0.74177341     -1.28275945     -0.56341187
  O      2.42498867      3.97134040      0.59559525
  H     -1.80452602      2.25240283     -2.22196016
  H     -1.28451665     -0.38943058      0.59218829
  O      2.95840370     -3.21411530      1.63235033
  H     -1.29448549      1.60853346     -0.91303438
  H      1.66940511      1.37349848     -0.61025963
  O      0.47248038      4.98772274      3.92422034
  H      4.21853076     -1.16782261     -0.88743016
  H      0.66512714      2.07700435     -1.55936594
  O      0.11205900     -3.24394513      1.93142261
  H      3.04461555     -1.85335379     -1.63629913
  H      2.87348922      0.37868064      1.91980897
  O      4.73895493      2.19596678      0.62553763
  H      2.57420463     -0.60594763     -3.29609542
  H      3.67467593     -0.19327823      3.11586489
  O      3.34428094      0.93251519     -3.07458848
  H      2.32763993     -1.89808991     -4.11449052
  H      5.17246084      1.00393331     -0.55167204
  O     -0.19726489      1.28374496      3.25816899
  H      2.09785580      3.39657693     -0.11237957
  H      6.31772343      0.27229441     -1.28639705
  O      1.78037803     -0.03547690      0.52168293
  H      1.76148146      4.66084256      0.72056918
  H      2.21322453      3.25290285      2.25192610
  O     -0.81909881     -1.21225882      0.40191002
  H      3.19576580     -2.84782330      0.77137345
  H      2.69659273      2.09957793      3.15663131
  O      1.57681599      2.10069875     -1.24489111
  H      1.99686342     -3.30584525      1.64436820
  H      0.41636205     -1.96239026      3.32943978
  O      3.54765478      0.59870053      2.58187729
  H     -0.34737355      4.53452755      4.15624444
  H      1.63309689     -1.38089915      4.05456064
  O      5.37020994      0.28664121     -1.18054762
  H      1.13901305      4.29067477      3.83897038
  H      0.38491573      5.57537166      2.27122791
  O      2.09550759      2.85546762      3.12719855
  H     -0.49520769     -3.97875229      1.96318281
  H      0.28906810      6.69609103      1.21074095
  O      0.69203640     -1.23622655      3.90138185
  H     -0.29486777     -2.56907125      1.36090029
  H     -1.32432164      2.52632979      3.91054083
  O      0.31842267      5.74819845      1.31466472
  H      4.11961909      2.93225860      0.57699953
  H     -2.45047796      3.06187136      4.82263758
  O     -1.83962705      3.31923572      4.13707312
  H      4.46779858      1.66876959      1.39078910
  H     -0.66998786     -0.12695102     -2.35055455
  O     -0.47583212     -1.07003246     -2.28118448
  H      2.75352647      1.46936151     -2.52800164
  H      0.40136558     -1.20783880     -2.65884609
          69
 Energy    -248.68279204470622     
  O     14.62241875     11.43373487    -11.68031309
  H     13.93382573     10.95368089    -12.15928655
  H     17.91738280      8.85834564    -15.50410656
  O     15.89439699      6.89347069    -14.89722577
  H     14.61538233     11.08329350    -10.78076974
  H     17.81614873      4.59609893    -12.08650367
  O     13.55225305      5.36244060    -11.49962877
  H     16.82106571      7.05083473    -15.13711467
  H     18.10799476      3.11073666    -12.40265225
  O     17.51073857      6.27660202     -8.88835887
  H     15.75162670      5.99144057    -14.58685204
  H     17.37249684      8.15979960     -9.07640648
  O     16.55551854     10.39191922    -15.58039380
  H     13.67326680      6.29262801    -11.25529474
  H     17.94645804      9.41432380     -9.79346790
  O     10.85119115      7.86311179    -13.83211291
  H     12.65561256      5.28334752    -11.84678384
  H     16.19158970      7.61873082    -13.28764265
  O     14.21171662      8.90830259    -15.46816735
  H     17.82999110      5.90849127     -8.06831341
  H     16.63767681      8.90769799    -12.53527491
  O     14.09151375      7.98820312    -10.95978616
  H     16.81575188      5.67489538     -9.20987982
  H     12.09662126      4.98884073    -14.38751795
  O     19.84139073      8.14016298    -13.01248581
  H     15.68941996      9.95306418    -15.61099359
  H     13.55289625      4.73247998    -14.81050221
  O     12.05223988      7.35495979    -16.38757694
  H     16.57307588     11.00667179    -16.31018351
  H     14.91960921      4.72181827    -10.38788035
  O     18.33967252      6.22187831    -11.56845935
  H     11.11263404      7.76862519    -14.75642045
  H     16.27549830      4.05674800    -10.67906936
  O     18.31917879      7.99428808    -15.36510316
  H     11.43593871      8.54011152    -13.46693484
  H     14.57946157      4.84476477    -12.93152667
  O     17.40057123      3.73320164    -12.25581282
  H     13.43722599      8.53659724    -15.90645792
  H     15.89565392      4.12566449    -13.30121597
  O     17.27363396      9.11498169     -9.17081684
  H     14.79193795      8.14880251    -15.28898380
  H     10.93590981      6.27689429    -13.10871834
  O     16.38794907      7.98324266    -12.41374116
  H     14.95069613      7.95954497    -11.41155256
  H     10.20502375      5.01237192    -12.59759939
  O     12.69285493      5.00990295    -15.14709820
  H     14.18108307      8.62649347    -10.24269092
  H     18.35333939     10.48904668    -11.75898881
  O     15.76667999      4.49114042     -9.98432841
  H     19.53288652      7.36075348    -12.53273422
  H     19.57788444     10.98645073    -10.95750350
  O     15.11536768      4.54588237    -13.68175973
  H     19.71219020      8.87095990    -12.39698939
  H     13.30585765      8.95981468    -12.32266345
  O     11.06716956      5.35834142    -12.81157719
  H     11.65543665      7.16750713    -17.23398206
  H     13.43402153      9.36769822    -13.82363413
  O     19.05797415     10.20920418    -11.14839722
  H     12.33318377      6.49920032    -16.01576545
  H     14.50027976     10.33644964     -8.29402606
  O     12.95587950      9.55247859    -13.00357924
  H     18.26389060      6.22050073    -10.60633096
  H     15.66947788      9.75680068     -9.12755980
  O     14.74132252     10.05119846     -9.17085365
  H     17.67037945      6.85267497    -11.87857713
  H     16.88294043     10.70820654    -13.78433789
  O     16.97647262     10.70120428    -12.82448131
  H     18.91300982      8.08209231    -14.60509353
  H     16.16113169     11.05733029    -12.43697363
          69
 Energy    -248.68269130954860     
  O      0.56157426      0.43125907      3.48331536
  H      0.49858730      1.28703906      3.92453631
  H     -3.20287985     -0.44047671      2.72327462
  O     -2.47931427      0.13263270     -2.74259704
  H      1.20491444      0.51634280      2.76354913
  H     -3.06642249      5.00336353      0.62879820
  O     -0.64243848     -1.84189673      4.60837589
  H     -1.67207118      0.62605148     -2.56685195
  H     -2.63126283      3.52234321      0.75156102
  O     -4.39868745      0.18591259     -0.79585914
  H     -2.28285636     -0.79103952     -2.51859667
  H     -3.49915198     -0.69415427      4.79272242
  O     -2.13105040     -2.44486627     -1.75291303
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  H     -3.63358545     -0.95965809      6.31038125
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  H     -0.11205573     -1.09826857      4.29026275
  H      0.02377188      3.73952349      2.93091233
  O     -4.20776031      2.88975971      3.18848388
  H     -3.84475310      0.24362775     -1.59081134
  H     -0.95742437      4.27772057      1.85992068
  O     -3.80526230     -3.28164501      2.03980841
  H     -4.51552289     -0.75952219     -0.63006808
  H     -3.08237973      1.37512311     -0.27158952
  O      0.07648315      2.95384323      4.62079958
  H     -3.02098765     -2.63091045     -1.42981364
  H     -1.60596476      1.79178869     -0.54494701
  O     -0.13557664      1.40839440     -1.49941574
  H     -1.58857519     -2.39922435     -0.95493345
  H     -0.94795977      0.27593317      2.50631015
  O     -5.66177685      0.99949543      1.52593080
  H      1.65866724     -1.56878281     -1.46453392
  H     -1.87304523      0.83528520      1.36883824
  O     -4.05263797     -0.71246183      3.10909679
  H      0.64888757     -1.43962869     -0.30143695
  H      2.02109428      1.62125919      0.87114505
  O     -2.74162757      4.35378429      1.24722898
  H     -3.75477390      3.49520250      2.58805904
  H      2.01533462      0.11508674      0.57891161
  O     -3.03135803     -0.63880276      5.64368350
  H     -4.72316616      2.30042654      2.62769430
  H     -3.08324782      2.38185091      4.50626485
  O     -0.02793683      4.08531573      2.03137266
  H     -2.92207105     -3.56698048      2.30022273
  H     -2.60351711      1.21435992      5.40887691
  O     -2.37450133      1.96510841      0.01771625
  H     -3.96158496     -2.44675245      2.50283303
  H      2.07448691      3.89250466     -0.27170487
  O     -1.71213690      0.08025287      1.94685095
  H      0.44646654      3.36235741      5.39835305
  H      0.92768843      3.55144176      0.70864506
  O      2.16530217      0.75965756      1.28091887
  H     -0.83526548      2.68924717      4.84656072
  H     -0.71186137     -4.62699488      3.14186071
  O     -2.40514440      2.11891987      5.14617057
  H      0.33281911      0.57859526     -1.33946773
  H     -0.91776247     -3.13417504      3.49053192
  O      1.45318635      3.20848288     -0.03702927
  H      0.42305640      2.09997821     -1.11875995
  H     -1.07825185     -1.33996432      1.04358207
  O     -1.09548645     -3.81689570      2.81782769
  H     -6.59813630      1.11559353      1.38215234
  H     -0.70934513     -2.81552928      1.30257929
  O     -0.66091501     -2.11594481      0.64104898
  H     -5.27636347      0.77463594      0.66358672
  H     -4.35443085     -2.89684664      0.43823389
  O     -4.66780806     -2.59787452     -0.43351583
  H     -4.72824806     -0.18125878      2.67423645
  H     -5.39336569     -3.16811634     -0.67370074
          69
 Energy    -248.68267572297762     
  O      1.58965832      0.77617953      2.51430606
  H      0.89936230      1.37576513      2.84811136
  H     -1.36844765      0.97396779      6.11569121
  O     -2.61809372      0.66135118     -2.60918737
  H      2.42645135      1.18811354      2.71686798
  H     -2.28509912      4.19938966      1.61762618
  O      0.68928619     -1.23234257      4.47863701
  H     -2.18542426      1.32626029     -2.05792128
  H     -1.22530331      3.55113141      0.69962696
  O     -4.43764386     -0.54835407     -0.90449214
  H     -1.97693020     -0.05729601     -2.66480504
  H     -4.01259239      0.76011597      0.26597967
  O     -0.62783230     -1.40672224     -2.20068698
  H      1.03334115     -0.59660085      3.84461960
  H     -3.25519382      0.95220747      1.61561234
  O     -4.26974688      2.62476765      4.35473162
  H      0.10572317     -0.75103648      5.08562129
  H     -2.64387234     -0.18499270      3.63887976
  O     -3.17891725     -3.49995836      3.93576435
  H     -3.98865245     -0.06641460     -1.61513761
  H     -1.62285159      0.86993292      3.09347247
  O     -0.48017725      2.30380575      3.39482926
  H     -3.89940283     -1.33944909     -0.76837473
  H     -2.05796616     -2.46809966     -1.30973188
  O     -5.77890718      0.21617472      3.84977395
  H      0.05523183     -1.68257931     -2.80789256
  H     -2.12830760     -2.48162540      0.21896687
  O     -3.51856577     -1.01147446      5.01603010
  H     -0.17684992     -0.95058345     -1.47232420
  H      0.95233049      0.20489888      0.80026633
  O     -4.19558626      3.91140644      1.81865812
  H     -4.79305017      1.83537943      4.17318893
  H     -0.13723894     -0.84300584      0.58690829
  O     -1.16602016      0.03216014      6.09604999
  H     -4.29264376      3.15716660      3.54986992
  H     -2.79824797      2.71276577      5.28591330
  O     -1.33491085      4.07422565      1.50571374
  H     -3.52923188     -3.67094008      3.05420291
  H     -2.00159065      3.46748923      6.37595737
  O     -3.67284955      1.42341036      0.87892640
  H     -2.22280420     -3.62437111      3.88199148
  H     -0.68867916      1.36258113     -0.29045549
  O     -2.23904871      0.17210356      2.83777717
  H     -0.85982001      2.53985935      4.24994761
  H     -2.12774507      1.85298809     -0.00776776
  O     -2.63395556     -2.71468471     -0.57870443
  H     -0.73978851      2.98629374      2.75673278
  H      0.06595651     -2.75168913      4.01353784
  O      0.37519839     -0.16412018      0.12085165
  H     -5.73767944     -0.28449653      3.01670799
  H      0.26417888     -4.27775815      3.84617076
  O     -1.93268600      2.77066227      5.72920733
  H     -6.68769751      0.18053396      4.13896684
  H     -1.56104966     -1.22499474      2.02755355
  O     -1.31450194      2.07081126     -0.48789524
  H     -4.37789640     -0.65648335      4.76134313
  H     -0.80985353     -2.58256616      2.18092316
  O     -0.33106848     -3.56240554      3.64218402
  H     -3.47178664     -1.92874087      4.70369377
  H     -3.76662571     -3.57545456      0.56420070
  O     -1.15121198     -1.95309763      1.53522649
  H     -4.09880801      3.02825888      1.41892301
  H     -4.78000399     -4.64420501      1.02289515
  O     -4.33593109     -3.84614656      1.30165191
  H     -4.86674598      4.36835582      1.31818631
  H     -5.30058321     -2.19524281      1.59900067
  O     -5.66011299     -1.30082915      1.57401692
  H     -2.00696135     -0.40262371      5.89561224
  H     -5.46773087     -0.97551153      0.68654388
          69
 Energy    -248.68249716685210     
  O     16.75439603      9.18835525    -15.71190044
  H     17.08389642     10.07198883    -15.91826922
  H     14.87218299      3.20771548    -13.78551280
  O     13.85704005      9.79131683     -9.89849039
  H     15.79151234      9.17939642    -15.80630654
  H     14.67759780      8.39616120    -10.94163440
  O     17.92329149     11.72831776    -15.83467046
  H     13.55393900      9.61669987     -9.01152282
  H     15.60651845      8.62497901    -12.15122896
  O     12.28396148     10.43887089    -12.12323850
  H     14.70869586     10.26032410     -9.81318835
  H     16.91066873      5.72943803    -16.12607367
  O     14.00097337      8.94269441    -15.80143546
  H     18.31168511     12.27300187    -16.51347065
  H     15.86574668      4.70032431    -15.66838819
  O     18.02662029      6.87113746    -15.09047044
  H     18.65461610     11.40888231    -15.27307951
  H     19.39227740     10.89622253    -11.20024213
  O     20.34799268      7.92601116    -14.09217613
  H     12.83428721     10.27625871    -11.34077992
  H     20.53502251     11.90348643    -10.93546198
  O     16.78223895      6.00101069    -12.74040037
  H     11.52357554     10.93254783    -11.82418485
  H     13.70868436      6.29374469    -18.16161739
  O     17.23209294     13.01186161    -11.24406624
  H     13.63628033      8.60925206    -14.96917451
  H     14.76083972      6.09192179    -17.04586126
  O     13.66200363     11.46355282    -14.46232152
  H     13.92767136      8.21312790    -16.43029150
  H     16.76345895      9.47351369    -13.88377933
  O     16.12404150     12.42981770    -13.74177491
  H     17.59171061      6.59052451    -14.27132963
  H     16.40886970     10.72384041    -13.06273468
  O     15.11323512      4.10578336    -13.99644279
  H     17.58682701      7.68144652    -15.39345256
  H     19.90166254     11.12473789    -13.32388267
  O     15.07914540      7.94891746    -11.69435803
  H     21.12733419      7.53124648    -14.47694755
  H     20.04930124      9.81664724    -14.14134028
  O     16.15148574      5.21750796    -16.43177171
  H     19.58393658      7.51412871    -14.53034470
  H     17.80736832      9.60924487    -11.63086910
  O     19.82380123     11.70060331    -11.53807469
  H     16.24485807      5.27497891    -13.08170204
  H     18.73260475      8.58197947    -10.94247829
  O     13.93071308      6.54929705    -17.27033449
  H     16.17770450      6.60494802    -12.28747293
  H     13.68080609      7.84591866    -12.83071585
  O     16.62028917      9.78497843    -12.98244442
  H     16.81423646     12.97147936    -12.11568680
  H     12.46983739      8.76614069    -13.03433181
  O     19.84253579     10.75586178    -14.21422816
  H     18.14619042     12.73616803    -11.37719862
  H     18.45260624      6.49666152    -11.90365367
  O     18.38862140      9.48173379    -10.86525927
  H     13.18212136     11.16515848    -13.68062603
  H     19.71053644      7.25283882    -12.38017675
  O     12.91012552      7.99033308    -13.39958272
  H     13.71198433     10.70373744    -15.05504604
  H     16.49698972     11.75718197    -10.14653316
  O     19.23380469      6.96996679    -11.58995421
  H     16.70833870     12.33116507    -14.50326644
  H     16.99843804     10.33427308     -9.86940415
  O     16.25949340     10.93134730     -9.69995641
  H     15.22595622     12.20961724    -14.03280729
  H     13.11763078      5.83827613    -15.66115097
  O     12.93634891      5.53832509    -14.76202959
  H     14.28772466      4.57596424    -14.21135411
  H     12.76910188      6.33814887    -14.24573741
          69
 Energy    -248.68243946682372     
  O     16.37658600     12.11847933    -14.65982576
  H     16.38460251     11.69668431    -15.53249132
  H     15.12053980      6.91385973    -17.44740572
  O     14.34002162      7.26109747    -15.73047805
  H     17.24956596     11.95644004    -14.28762245
  H     17.67835214      7.00394897    -15.05284849
  O     18.25512230      7.12475668    -11.37976420
  H     13.99242061      6.92632969    -14.89583250
  H     18.94401308      6.32997023    -14.45527375
  O     19.19069125      8.20330154    -17.54034295
  H     15.17409494      7.69616682    -15.49137323
  H     16.83603488      8.89030515    -14.17078363
  O     16.98886776      9.10070452    -19.15751385
  H     17.63069664      6.56777218    -11.87066878
  H     16.67909032      9.20545377    -15.69096976
  O     14.47882826      7.99700575     -9.65243895
  H     17.94726424      7.12162318    -10.46465548
  H     14.76781256     11.73573251    -14.07683025
  O     13.94262886      6.74531677    -12.99108324
  H     18.56488130      8.63735912    -18.13251114
  H     13.34948475     12.24920555    -13.74040964
  O     17.20208314      9.47580302    -12.44763222
  H     18.97431751      7.26682144    -17.60668089
  H     16.04176952      4.75895704    -11.12026950
  O     18.08870253      5.48789372    -17.56103387
  H     16.86049327      9.19900376    -20.09663576
  H     16.18427292      5.29296525     -9.68369075
  O     13.17304148      5.59036475    -10.52114877
  H     16.46619139      8.32565624    -18.88100875
  H     13.54837653     10.39611630    -15.44185886
  O     20.02380002      9.29122259    -15.08703137
  H     13.90441091      7.24705315     -9.84976707
  H     13.65394016      9.00629350    -16.11832782
  O     15.69675876      6.90263914    -18.22173500
  H     14.41860819      8.58239059    -10.41920663
  H     19.65024845      7.06729327    -12.52661244
  O     18.12364591      6.14873594    -14.92890858
  H     13.52377436      6.31348901    -12.23703093
  H     21.06068845      6.61924364    -12.97029157
  O     16.71103537      8.49202429    -15.04014762
  H     14.08843875      7.66822431    -12.73455395
  H     15.60002923      5.95862474    -12.93049837
  O     13.86682374     11.45359099    -13.83601487
  H     17.66465462      8.74185478    -12.02428668
  H     16.95133162      5.57114842    -13.60635190
  O     15.71413460      4.64122574    -10.21734536
  H     17.85029164     10.14094105    -12.71308137
  H     16.04551358      7.40636641     -9.16807048
  O     13.60117837      9.95414976    -16.29805464
  H     18.10704061      5.58545310    -16.59362333
  H     17.05118214      7.12966160     -8.02611770
  O     20.24785418      7.00354299    -13.28989555
  H     18.42348891      4.61684309    -17.75723202
  H     16.49809996     10.17289481    -17.75158692
  O     16.45895912      5.53998427    -12.77689381
  H     14.02727526      5.14824622    -10.36901836
  H     15.25828422     10.36906125    -16.82423000
  O     16.89400371      6.97707928     -8.95386148
  H     12.49634803      5.00835210    -10.18675979
  H     15.45408918      9.43289537    -12.16835094
  O     16.21362774     10.52585459    -16.90121027
  H     19.75820079      8.94702716    -15.95209998
  H     14.13265667     10.06835211    -12.64535115
  O     14.49022728      9.34270567    -12.11966358
  H     20.19519547      8.52919676    -14.52416026
  H     19.33794879     10.61777282    -14.21983991
  O     18.93949288     11.28701621    -13.63341410
  H     16.43252355      6.31191434    -18.01564365
  H     19.63142596     11.90445190    -13.41338955
          69
 Energy    -248.68219463374896     
  O     18.15100271      6.68985359     -9.49199756
  H     17.75105331      5.89043578     -9.86386715
  H     15.76585942      7.06401425    -16.47657410
  O     16.32610560     11.03858040    -14.02404846
  H     17.50664027      7.02731538     -8.85975595
  H     16.74504204      8.03065810    -14.77997644
  O     13.18098333      6.63018698    -12.85162353
  H     16.68725283     11.87685622    -14.29955412
  H     16.22538771      9.45414681    -15.03396470
  O     13.20937947      4.37188347    -14.56663567
  H     16.80144381     10.78255846    -13.21241258
  H     15.61026755      7.85689547    -11.13297651
  O     13.63618591     10.61923836    -13.15948804
  H     14.05583343      6.78232937    -12.45738721
  H     15.91329993      6.32267679    -11.26959243
  O     15.59027149      9.31956840    -10.01247145
  H     13.22389226      5.79669542    -13.33302369
  H     20.31183839      8.11669564    -11.29238379
  O     17.54216927     10.29870007    -11.73384389
  H     14.09050733      4.09408002    -14.85124915
  H     18.96071740      7.62552204    -10.72744314
  O     12.38020112      3.40490656    -12.08551936
  H     12.86870010      4.93907302    -15.26979011
  H     12.36050314      8.36907360    -10.37460539
  O     15.75763406      3.84509525    -15.61892040
  H     14.53623858     10.86334599    -13.40777042
  H     12.40027634      7.10707390    -11.24748439
  O     15.94574882      7.58082647     -7.86668566
  H     13.36470316      9.95757458    -13.80709175
  H     13.28140006      6.49261975     -9.24319206
  O     12.59480355      6.34630575    -16.54529418
  H     14.68146967      9.63969077    -10.07979413
  H     14.00240834      5.12908622     -9.10808329
  O     15.46359848      6.23506798    -16.86934177
  H     15.68650274      8.83673498     -9.18131542
  H     13.23538212      7.83710835    -14.13702133
  O     16.13530564      8.54083163    -15.33399966
  H     16.88105788     10.05691326    -11.06994611
  H     14.31299055      8.45348793    -15.07395464
  O     15.59361439      7.10593468    -11.73875698
  H     18.24528868      9.64413566    -11.65233014
  H     12.47108776     10.91821170    -10.24910605
  O     19.37250683      8.12658930    -11.45440387
  H     12.63214596      3.60620323    -12.99902334
  H     13.18297415     10.35809580    -11.50166778
  O     12.19644307      7.41880768    -10.35510031
  H     11.56034792      3.87362708    -11.93530226
  H     14.14850002      2.62269790     -9.58851027
  O     13.94052385      6.00875386     -8.72316364
  H     15.75144846      4.69600787    -16.09293819
  H     13.59795763      3.42466828    -10.78469154
  O     13.35889094      8.40488155    -14.91505152
  H     16.02583871      3.18141878    -16.24944766
  H     18.40837858      7.49402550    -12.95606750
  O     12.98389218     10.17893531    -10.56495652
  H     15.91124593      7.63783483     -6.91606143
  H     16.90280395      7.18604072    -12.93791530
  O     14.23360615      3.45317057    -10.05115783
  H     15.22896465      6.97740360     -8.13830111
  H     15.87975074      4.19504103    -10.51093960
  O     17.68762533      7.17238433    -13.51027666
  H     12.75684217      7.15260001    -16.02541199
  H     16.93138416      4.46210234    -11.64224740
  O     16.65297509      4.71878866    -10.74871835
  H     11.89828020      6.55289978    -17.16306239
  H     16.85387009      4.10883029    -14.10239342
  O     17.39712145      4.37358852    -13.35186893
  H     14.50228712      6.29603521    -16.92524513
  H     17.63355071      5.29690635    -13.51583464
          69
 Energy    -248.68215707943307     
  O      5.33442259     -0.95776134     -0.96092775
  H      6.04111452     -0.90676954     -0.30277215
  H     11.64449538      2.72148119      1.20465689
  O      5.87293658     -2.80541010     -2.87678561
  H      5.35913539     -0.11287714     -1.42862587
  H      5.94867794     -1.97286639     -4.59652099
  O      8.77960086      3.71883198     -3.07244738
  H      5.64739499     -2.17049328     -2.17496909
  H      5.93836594     -0.65040484     -5.40243434
  O     11.78006959     -0.39267585      0.80107647
  H      5.33642082     -3.57939030     -2.72606893
  H      7.73286009     -2.76750588     -3.03467435
  O     10.18507226     -0.05252703     -5.15864229
  H      8.08320646      3.83456769     -2.41795307
  H      8.79916696     -2.60734200     -4.15012433
  O     10.59156360     -3.09067556     -1.24547114
  H      9.42267541      3.11172713     -2.67261394
  H      5.68707663      1.26848352     -4.17644151
  O      9.77402271     -2.37762425      1.21734424
  H     12.17953816     -0.70353979     -0.02104838
  H      4.84469176      1.66035709     -5.41523152
  O     13.07078090      2.91378608     -4.74674190
  H     11.11920399     -1.05085285      1.04844939
  H      8.02314340     -0.40367469     -0.44950387
  O     12.31076321      0.54324336     -3.60329693
  H      9.53881087      0.66416824     -5.22347588
  H      8.36567897     -1.20965759      0.82684364
  O      8.15992560      2.18625926      0.81512346
  H      9.76413406     -0.82973678     -5.54017158
  H      8.38613283      2.61130545     -4.53305100
  O     10.47443252      1.85874157     -1.99096479
  H      9.94241030     -3.00030093     -1.95665655
  H      7.42418470      1.77442421     -5.40601465
  O     11.01920013      2.17822031      0.73317039
  H     11.35389614     -2.55524793     -1.49633855
  H      6.31450079      4.31961686     -0.57095676
  O      6.16978104     -1.58598787     -5.45293456
  H      9.81023749     -3.11810647      1.81642819
  H      7.28521840      3.14040051     -0.32852610
  O      8.67346474     -2.61194017     -3.19316485
  H     10.03433591     -2.71178957      0.33869812
  H      6.89125462      0.86534318     -2.41419037
  O      5.62054492      1.17692951     -5.14312556
  H     12.20915507      3.30711831     -4.96369601
  H      6.17354937      2.16905321     -1.97838246
  O      7.73799249     -0.57491513      0.46232662
  H     13.71290033      3.39132143     -5.26485613
  H      7.78341997     -2.05262626     -5.89785538
  O      8.34335183      2.04759688     -5.31930384
  H     12.71574383      1.32674188     -4.00126324
  H      8.75819967     -2.88820193     -6.76397307
  O      6.79583738      3.62808267     -1.01653965
  H     11.59174628      0.26155788     -4.19372924
  H      9.18543378      0.59904348     -2.14734144
  O      6.04724548      1.34413991     -2.46242973
  H      9.12114988      2.24215274      0.87009578
  H      8.65590988     -0.80116634     -2.63011215
  O      8.71227416     -2.33259350     -5.99125882
  H      7.94618056      1.24380699      0.83587543
  H      9.96512214      3.28922402     -5.71609758
  O      8.42345668      0.00539214     -2.15643031
  H     11.20369433      1.47436773     -2.49393602
  H     10.06622590      4.17736356     -4.49457086
  O     10.55233485      3.92356899     -5.28977684
  H     10.75555775      2.00159021     -1.07925342
  H     13.68875601     -1.67107988     -1.81743487
  O     12.80343276     -1.33576110     -1.69772885
  H     11.31316247      1.25433526      0.83416016
  H     12.66283475     -0.67533324     -2.39722726
          69
 Energy    -248.68215229422879     
  O     10.49571912     10.21701856    -12.02678462
  H     11.33010765     10.66294360    -12.22880196
  H     15.03271766      7.26020462    -16.73287558
  O     13.79626994      7.52189208    -15.48722549
  H     10.13893486      9.91973084    -12.87198755
  H     17.52612930      7.17108394    -16.54769008
  O     17.65079203     10.13331728    -11.09275715
  H     13.57199088      6.94909990    -14.73864322
  H     18.57556468      8.16403430    -16.01641629
  O     18.66693737     10.11693026    -15.98411142
  H     13.21388235      8.29244285    -15.45137805
  H     15.69332313     12.03216551    -14.15072829
  O     12.31951862      9.85233069    -15.17271456
  H     17.74034636      9.16506820    -11.02194784
  H     14.62948248     12.22970506    -15.25140707
  O     15.58608281      5.78797358     -9.97946291
  H     18.24036269     10.50942684    -10.44486709
  H     16.09648844      9.41547141    -13.94185500
  O     13.26552984      6.06982824    -13.19387157
  H     19.35682981     10.52931232    -16.49743859
  H     15.04562612      8.33399708    -14.40605905
  O     14.85561370      9.58812626    -11.29941709
  H     17.85556670     10.14919338    -16.52521202
  H     10.61466036      8.83095942    -10.98303417
  O     16.34835559     10.01326179    -17.35869603
  H     12.59245913     10.24348755    -14.32937698
  H     10.05514266      8.00256344     -9.80137158
  O     15.56637895      4.68336399    -12.66542065
  H     11.40231177      9.56884433    -15.06759802
  H     17.94264480      6.62312419    -14.39308630
  O     17.14338762     10.93024388    -13.79072843
  H     15.45326528      5.32418556     -9.15620883
  H     16.81848370      7.22846710    -13.54007109
  O     15.76104884      7.24659422    -17.37599884
  H     14.77663446      6.29893791    -10.14393968
  H     10.50192509      7.01348068    -12.17480538
  O     18.36194051      7.22481559    -16.06821485
  H     13.29509038      6.57422472    -12.37032000
  H     11.40706289      6.34429570    -13.22792853
  O     14.84393398     12.45542670    -14.33957894
  H     14.00482630      5.44679472    -13.13190550
  H     17.07940816      6.89734489    -10.50600667
  O     15.64035610      8.59930808    -13.69644266
  H     15.06898166      9.15176732    -12.14250720
  H     17.85779096      7.05336376    -11.82131264
  O     10.69418386      7.98361336    -10.50852070
  H     15.69956905      9.92745681    -10.98476603
  H     13.38080234     11.88314747    -17.45896744
  O     17.48779195      6.52773705    -13.54662044
  H     16.11305495      9.08477021    -17.48284434
  H     13.28217935     10.82968998    -16.33394069
  O     10.53171091      6.73221739    -13.09758641
  H     15.52236495     10.49473246    -17.23300201
  H     12.48359616      7.55549775    -10.49488759
  O     17.75811682      7.43052324    -10.93538253
  H     16.29817813      5.17543734    -13.06370078
  H     13.88060450      8.19407651    -10.77364755
  O     13.90504400     11.36260564    -16.85457593
  H     15.62249748      4.87517280    -11.72183836
  H     13.61237696     11.72327171    -13.26865146
  O     13.41297676      7.35335859    -10.65773866
  H     17.45634490     10.70833882    -12.90416236
  H     13.61698672     10.63250690    -12.17307469
  O     13.04148978     11.10405616    -12.78891245
  H     17.82187933     10.69170916    -14.43628282
  H      8.93965834      8.78309411    -14.91762647
  O      9.79238675      8.91737608    -14.51377920
  H     15.53598805      6.58884869    -18.02944308
  H     10.02710990      8.08420750    -14.06546777
          69
 Ord_Energy   -248.682144    
 O   -3.82647657      0.583713710       2.54283810    
 H   -3.23356938     -0.156878993       2.63801074    
 H   -4.67152929      0.322013617       2.95538878    
 O   -4.11938047       3.52770185      -1.45817673    
 H   -4.38428354       2.79029608     -0.882410467    
 H   -3.49203300       3.17738748      -2.08505321    
 O   -9.09441566       3.10251451      -1.38517368    
 H   -9.52321434       3.11586356      -2.23742771    
 H   -8.27594376       3.62156701      -1.47495222    
 O   -5.33613300       2.83591318       8.15226650    
 H   -4.88947153       2.45667863       8.90375423    
 H   -4.69267941       3.41198277       7.70024061    
 O   -6.75986338       4.46749306      -1.22509301    
 H   -6.77369404       4.28656626     -0.269800991    
 H   -5.88239622       4.20277739      -1.52670443    
 O   -6.62183332       3.66615009       1.41698456    
 H   -6.02955341       4.20584154       1.95575666    
 H   -7.41791153       3.46911335       1.92416632    
 O   -6.18899727       5.72728403E-02   3.71546674    
 H   -7.04431963       5.61647005E-02   3.27082920    
 H   -6.26338434      0.689096093       4.44467783    
 O   -5.59089613       6.67827129       6.38662958    
 H   -6.07608461       6.67963696       5.54556751    
 H   -5.35455084       7.58579874       6.56414557    
 O   -4.77930927       5.14105844       2.86969781    
 H   -4.29924583       5.38058043       2.06200957    
 H   -4.34147882       4.39648867       3.30141401    
 O   -6.89887953       6.37866640       3.97506571    
 H   -6.09511185       6.00709152       3.57465196    
 H   -7.45936680       6.68314600       3.25180364    
 O   -7.35164022       4.84863758       7.76067209    
 H   -6.75854826       4.15077209       8.06538582    
 H   -6.77412510       5.55371571       7.44031572    
 O   -3.89828658       2.91099954       4.22480440    
 H   -4.70863914       2.64735746       4.68704033    
 H   -3.68492436       2.17933106       3.63520718    
 O   -7.85530567      0.812766731     -0.129906297    
 H   -6.90737534      0.993869066     -0.141289070    
 H   -8.29017258       1.54837763     -0.578393877    
 O   -5.13584805       1.66379547      0.298874736    
 H   -5.66947126       2.33909011      0.749637365    
 H   -4.61247349       1.23230243      0.984775722    
 O   -3.76100945       4.45941830       6.64933014    
 H   -3.60106611       4.02959871       5.80041361    
 H   -4.28825140       5.24896145       6.47268200    
 O   -6.21557093       2.11994267       5.57918453    
 H   -6.87759256       2.80294085       5.40597677    
 H   -5.96234941       2.20606947       6.50672626    
 O   -3.81987500       5.77107048      0.419365406    
 H   -4.57799006       6.33237362      0.193304583    
 H   -3.79727268       5.06804705     -0.237794414    
 O   -8.95338345       3.03145957       2.84584808    
 H   -8.94082546       2.06708837       2.82124376    
 H   -8.78787041       3.32770109       3.75129390    
 O   -8.08332539       4.15668535       5.20114040    
 H   -7.72759485       4.92831230       4.73864746    
 H   -8.02791405       4.36013603       6.14588356    
 O   -8.69491673      0.268191904       2.38617659    
 H   -9.35760117     -0.417453408       2.37719345    
 H   -8.42177773      0.409684956       1.46163309    
 O   -9.77581596       4.80124950      0.883294404    
 H   -9.67891216       4.27573442       8.24240297E-02
 H   -9.65309238       4.17733765       1.61389875    
 O   -6.24637270       7.04235363     -0.159516945    
 H   -6.52100468       6.29536867     -0.706964612    
 H   -6.94217300       7.13819408      0.500669539    
 O   -8.45356846       7.04284668       1.72188675    
 H   -8.93156719       6.26025581       1.39649200    
 H   -9.06442547       7.77378035       1.66193604    
          69
 Energy    -248.68139383506553     
  O     13.93145217     11.60312901     -8.68320994
  H     14.03965228     11.39773858     -7.75818550
  H     11.32386991     13.59306723    -13.23536184
  O     10.89149777     10.82141282    -15.10794742
  H     14.18196484     10.80085205     -9.17817262
  H     16.97069356     13.77092297    -17.26300632
  O     14.46973747      9.41284684    -10.16058885
  H     11.35390239     10.98248205    -15.94046239
  H     15.96247675     13.78621731    -16.08811842
  O     18.10268368     13.77330059    -13.94913942
  H     10.78535892     11.68289292    -14.67904544
  H     13.18872044     14.58340979    -11.67183377
  O     11.62743796     12.05700427    -10.24297424
  H     15.15708193      9.27732214    -10.82243616
  H     13.32122474     13.26497898    -12.47833431
  O     11.89283880      9.42583377    -11.29673080
  H     13.62336834      9.18964159    -10.57040785
  H     11.34484302     13.92895482    -15.45854060
  O     13.09875934      9.84662224    -13.75529371
  H     17.73218165     13.59411230    -14.82843666
  H     12.07546539     13.24856265    -16.63954885
  O     14.52317639     15.71068967    -11.03356924
  H     19.02708611     13.97386949    -14.07673903
  H     15.27158180     12.09981865    -12.95623325
  O      9.60855303      9.59547351    -12.84839774
  H     12.30850447     11.93660499     -9.57001083
  H     14.01937430     11.38785100    -13.56489475
  O     14.51332912     14.26584112    -15.25454510
  H     11.98377397     12.71488506    -10.85966856
  H     13.44380043     11.32493664    -17.06502870
  O     15.12195020     11.01966075    -16.67623021
  H     11.81060759     10.31060710    -10.91607820
  H     12.40191117     11.22793140    -18.19979454
  O     10.58052025     13.28061283    -13.77167604
  H     11.06945735      9.27520061    -11.78410612
  H     17.47124529      8.85833482    -11.71564223
  O     16.81214192     13.41689309    -16.39116956
  H     12.75626078      9.62839475    -12.87949951
  H     16.83319758     10.22949214    -12.03534506
  O     12.68313435     13.85056246    -12.04069269
  H     12.33756743     10.11295559    -14.28692115
  H     16.07372866      9.08215517    -13.87598618
  O     11.95224077     14.09499751    -16.18943944
  H     15.07150400     15.75172570    -11.83836313
  H     14.65878220      9.20953959    -14.43035728
  O     14.42173355     12.24798924    -13.38720157
  H     14.48915830     16.59425213    -10.67781023
  H     16.58934527     12.48211555    -11.34247563
  O     12.51524255     11.50646246    -17.29457385
  H      9.91754758      9.85881263    -13.72481820
  H     17.40267810     12.58713411    -12.68454672
  O     16.66523647      9.27158521    -12.01658944
  H      9.29162038     10.40713743    -12.43329753
  H      9.95444041     12.10775720    -10.98223444
  O     15.58521987      9.13018377    -14.70400654
  H     13.62833542     14.35902946    -15.63112890
  H      8.44039493     12.40742114    -10.98622462
  O     16.90664685     11.98754120    -12.11590632
  H     14.47696513     13.51099335    -14.64623834
  H     16.77814244     15.13410312    -13.41308551
  O      9.16561207     12.14380133    -11.54767774
  H     15.78452390     11.70972388    -16.58799530
  H     15.38445142     15.33436944    -14.02324814
  O     15.96740563     15.64418444    -13.31523293
  H     15.36382646     10.32777571    -16.04216506
  H     15.12643317     12.80909008     -9.54482402
  O     15.76554198     13.32654927    -10.04973020
  H      9.91916702     12.98910033    -13.13311035
  H     15.33586384     14.16032263    -10.27423757
          69
 Energy    -248.68135962698221     
  O     11.78951316      9.96390016    -15.08823475
  H     12.40031419      9.33117130    -15.48474059
  H     19.27043920      9.78666138    -12.93452640
  O     16.50315250      6.64050446    -13.46454642
  H     11.29639202      9.47213934    -14.42035044
  H     15.95051350     11.77280059    -15.90456948
  O     16.23940050     10.28630025    -10.67740138
  H     17.34400751      6.55649303    -13.00059496
  H     14.43644731     12.08527463    -15.84364915
  O     17.40266412     11.25266606    -14.86125746
  H     15.78458231      6.57438056    -12.81953292
  H     16.32486739      9.75850123    -14.54836179
  O     14.38373217      9.08000576     -9.01311188
  H     15.60302369     10.58462421    -11.34317750
  H     16.08888972      8.32176129    -13.95178833
  O     14.27815585      6.64763298    -11.79773494
  H     15.69490109      9.95777164     -9.94691702
  H     11.24488340      7.55405702    -13.44381380
  O     14.33468979     10.86137493    -12.60967300
  H     18.13565472     10.84098336    -15.33924103
  H      9.80077574      7.88286458    -12.99088839
  O     17.36053876      8.42758349    -17.34785323
  H     17.69399783     11.38928698    -13.95139603
  H     18.05687457      7.39664992    -10.76093724
  O     15.32205487      6.33899343     -9.20683950
  H     14.62232751      8.15317459     -8.89579561
  H     17.13640716      8.59141931    -10.38728353
  O     19.35805779      9.70484642    -16.11141102
  H     13.67665575      9.07806699     -9.67300556
  H     13.15721227      6.36789462    -13.33617593
  O     16.08055468      6.23903343    -16.20887465
  H     14.56841447      6.37163024    -10.91925845
  H     12.96001020      6.92514109    -14.77294061
  O     19.65187731      9.01677815    -13.37348784
  H     13.78938282      7.47163024    -11.66082110
  H     17.62604667     10.92454391    -11.58089595
  O     15.14936027     11.83219870    -16.44199963
  H     14.76225886     10.21459224    -13.19444788
  H     18.77925208     11.94199830    -11.69076256
  O     15.65567407      9.13804844    -14.23538460
  H     13.90303310     11.50344941    -13.18365422
  H     19.30708956      7.50963160    -12.64041070
  O     10.66725118      8.26314242    -13.10551858
  H     17.03129692      7.59158917    -16.98783292
  H     19.74271212      6.08939362    -12.19794642
  O     17.45756427      7.73359640    -10.08433835
  H     16.58785702      8.88447630    -17.69723070
  H     14.96007805     10.50221563    -17.53938920
  O     12.50354527      6.50433574    -14.03436999
  H     15.54688961      5.71896611     -8.51911844
  H     14.62166361      9.98371976    -18.95868602
  O     18.32604086     11.25207569    -12.16988362
  H     16.14937033      6.78430463     -9.46881902
  H     13.21291639      9.69710124    -11.78103817
  O     19.00671695      6.69468222    -12.19793942
  H     18.67089059      9.19969067    -16.58515738
  H     11.94689395      8.79791776    -11.82675569
  O     14.88108936      9.69950115    -18.08655159
  H     20.05885118      9.86890178    -16.73606879
  H     12.50924502     11.51052595    -14.80598440
  O     12.75540519      8.97213262    -11.33140680
  H     16.28087749      6.21976022    -15.26228556
  H     12.39280049     13.04582965    -14.63089722
  O     13.01349420     12.32259563    -14.61279383
  H     15.20352775      6.63081939    -16.27096964
  H     14.04697590      8.56489202    -16.85267817
  O     13.81636486      8.14176713    -16.01522180
  H     19.61599118      9.19159943    -14.32193458
  H     14.45053807      8.49450596    -15.36921709
          69
 Energy    -248.68134603084766     
  O     13.41031246      9.75964099    -16.37500300
  H     14.02036739     10.50690816    -16.36674518
  H     17.77406592      9.96236145    -17.24442777
  O     16.93256640      6.45505427    -12.71293470
  H     13.91309712      9.00269090    -16.70408627
  H     17.37975080      8.10544294    -15.05988768
  O     18.31336811     10.84837682    -12.31285239
  H     17.67823158      6.90237686    -12.29397835
  H     16.45294023      9.20055268    -14.39207093
  O     14.34255537      5.11762483    -15.86481410
  H     16.65325489      7.05390118    -13.42420162
  H     12.49937515      9.33182927    -14.97228036
  O     14.70388811     10.64963150     -9.71677919
  H     18.15111482     11.01491896    -11.37331256
  H     11.11375992      9.20818638    -14.29364208
  O     14.55839576      6.96828598    -11.43789952
  H     17.45222713     10.90331450    -12.75432330
  H     18.90923846      7.79332418     -8.55526846
  O     15.92848345     10.79915365    -13.61045900
  H     13.83672374      4.33629013    -16.07110751
  H     18.57430777      8.07584217    -10.03535981
  O     15.38886029      7.93439682     -8.99925428
  H     13.90256751      5.54136707    -15.10543345
  H     12.70364397      7.24927523    -13.95737575
  O     18.69740814      7.08519120    -15.97808899
  H     14.36255636     10.35373173    -10.57588121
  H     13.54085253      6.46975184    -12.92544953
  O     17.13901154      4.97683760    -15.12016299
  H     14.02829988     11.20202397     -9.33049761
  H     19.30026500     10.90272606    -13.79254014
  O     20.45355327      8.09007913    -14.07834353
  H     14.74988623      7.17305759    -10.51179175
  H     20.41904875     11.51722801    -14.65913818
  O     17.75569034     10.77649185    -16.72824893
  H     15.39689258      6.68484112    -11.83096092
  H     18.67794964      9.05826175    -11.92804547
  O     16.49864978      8.29080520    -14.70594815
  H     15.17583545     10.42790585    -13.12970817
  H     19.61022132      7.97591250    -12.48659218
  O     12.04488106      9.05675419    -14.15586007
  H     15.60876500     11.25591079    -14.39753613
  H     16.59655658     10.91631778     -9.66563107
  O     18.24682416      8.17532348     -9.12585053
  H     16.35441351      7.93346429     -8.98323346
  H     17.82918164     10.05245955     -9.34029357
  O     13.14127306      6.40467581    -13.80299821
  H     15.13044351      8.86093777     -9.07122946
  H     16.56171424      8.03791851    -17.87859901
  O     19.74829068     10.83766491    -14.65322504
  H     18.21347519      6.26835586    -15.77590720
  H     17.43515522      8.18814247    -19.14614463
  O     18.97568568      8.15084240    -11.77628491
  H     18.42308415      7.38209745    -16.85229372
  H     14.17632974      8.66869668    -11.91701978
  O     17.56192064     10.91404152     -9.68365951
  H     16.21620766      4.94229231    -15.39822087
  H     13.18383274      9.48985189    -12.77797282
  O     17.43556108      8.31676664    -18.20107676
  H     17.12079240      5.24269234    -14.19074830
  H     16.21607773     11.48828792    -16.40426467
  O     13.91225681      9.57207341    -12.14970787
  H     19.96528641      7.61909948    -14.76868680
  H     15.28879207     12.72594859    -16.47929749
  O     15.34297133     11.83529771    -16.14362449
  H     20.37755082      9.02166104    -14.31569298
  H     15.52882980      7.85744291    -16.10383283
  O     15.09981519      7.58618262    -16.93338066
  H     18.47620267     10.73874703    -16.08749457
  H     14.77402687      6.69320081    -16.76876565
          69
 Energy    -248.68132866725972     
  O      1.34340335     -0.40278305      4.55215542
  H      1.06970784      0.49769773      4.75980274
  H     -2.14441238      2.72166282      1.81819836
  O      1.53577611      0.40670789     -3.06754091
  H      0.58288792     -0.95666911      4.77435931
  H     -3.83368571     -0.92575755      5.88258524
  O     -1.17299782     -1.67827915      4.86457700
  H      1.54911158     -0.55847113     -3.03364504
  H     -3.64189007     -1.25395278      7.38533138
  O     -0.50780780      0.77114967     -1.12654319
  H      0.75097337      0.66463860     -2.56640043
  H     -0.15073540      2.36123853      3.25740120
  O      1.53227825     -2.38316682     -2.40236498
  H     -1.79158958     -1.46217679      5.57222303
  H      0.31938887      2.07272110      1.79652993
  O      3.28044916     -1.53568579     -0.50028043
  H     -1.42096791     -1.12912210      4.10530351
  H     -3.41545797      1.91776915     -1.81612101
  O     -4.45799665      1.89039540      3.76680193
  H     -0.62826126     -0.18893166     -1.08214589
  H     -2.15909517      1.36829027     -1.09755885
  O     -4.36880545     -2.58767936      2.18885648
  H      0.15958568      0.99688027     -0.46486346
  H     -1.22140650      0.60507081      2.41658835
  O      0.21728995      2.21207829      5.04423221
  H      2.16857700     -2.15516734     -1.70006979
  H     -2.24054347     -0.36745472      1.75126474
  O      3.47845436      1.21929484     -1.32565619
  H      1.88730330     -3.14235307     -2.85709457
  H     -0.61093070     -2.29113031     -0.10188842
  O     -4.76883779     -0.85069266      4.42877017
  H      3.00614972     -1.48883834      0.42547836
  H     -0.14081337     -2.21886583     -1.57430138
  O     -3.08697169      2.72795183      1.59707611
  H      3.53005900     -0.63681365     -0.74575591
  H      1.37158344     -1.77604000      1.84274884
  O     -3.20838603     -0.86931224      6.62923713
  H     -3.99440733      2.18566618      2.96411424
  H      1.97369190     -0.86890991      2.93645694
  O     -0.44935825      2.29021475      2.34096170
  H     -5.16257437      2.51599610      3.91734000
  H     -2.59185106      0.85671928      6.15489277
  O     -3.11131619      1.54307749     -0.99358123
  H     -5.07814548     -3.12306651      1.83930930
  H     -3.04417673      1.82055299      5.04581679
  O     -1.58911048     -0.28616352      2.45636929
  H     -4.03484843     -2.05645759      1.44865563
  H      2.26014531      1.40435324      0.09708644
  O     -0.86868589     -1.98333548     -0.98594290
  H     -0.69530762      2.02249824      5.32900055
  H      1.71964613      0.44335039      1.18938517
  O      2.07376939     -1.13172297      2.00915662
  H      0.57015126      2.84918500      5.65951007
  H     -1.68461916     -3.26694416      3.95970928
  O     -2.34883918      1.67113126      5.69772722
  H      4.16227792      1.75424819     -1.71890097
  H     -2.81588075     -3.53887881      2.95362133
  O      1.53381544      1.26893731      0.71698851
  H      2.84974503      0.99583107     -2.03466337
  H     -0.73088196     -3.23228481      2.09594617
  O     -1.97254937     -3.88280878      3.27050417
  H     -4.65085346     -1.43832317      3.67378039
  H     -0.61513755     -1.71321037      1.90758635
  O     -0.25334260     -2.55739824      1.59518786
  H     -4.70723886      0.05489869      4.09689533
  H     -3.38874603     -0.15611724     -0.21660961
  O     -3.23886822     -1.00773965      0.21194514
  H     -3.15711313      2.41349090      0.68929725
  H     -2.53414082     -1.44738978     -0.28440878
          69
 Energy    -248.68128182459441     
  O     16.61038991     11.93210560    -11.17452297
  H     16.17829740     11.67936187    -12.00381751
  H     18.92946194      6.75759088    -13.86435575
  O     13.35478453     12.82596424    -12.68584307
  H     17.53846905     11.68438206    -11.25701150
  H     19.41879698      9.22808135    -10.79494417
  O     13.51833433      8.48774480     -8.94212056
  H     13.82274647     13.40000935    -12.06649413
  H     18.65050774      8.32831885     -9.80742524
  O     15.24549623      6.35270334     -8.14847044
  H     14.04220076     12.36687588    -13.18430183
  H     12.60031325     12.02625376     -9.65462893
  O     11.49943253     11.46976104    -11.19812902
  H     14.14135112      9.22557902     -8.96333726
  H     13.72241391     13.07026969     -9.50418032
  O     14.92799362     14.06785693    -10.65335173
  H     14.00952785      7.73686894     -8.59196213
  H     11.60514639      9.59423873    -11.10952661
  O     16.18182536      5.47797890    -14.90695608
  H     15.00122571      5.83987880     -8.94035175
  H     12.42316959      8.58019802    -10.26413694
  O     15.47876443     11.18135057    -13.62049100
  H     15.16495619      5.76552061     -7.40217103
  H     18.06990514      8.75686976    -14.12666491
  O     16.21768095      8.07231250    -11.67586668
  H     12.13034870     11.91146263    -11.79297344
  H     17.20213989      9.01937863    -12.88365327
  O     16.72398469      5.35352393    -12.16522388
  H     10.67080165     11.93367514    -11.29467569
  H     19.41846674      6.94736239    -11.49482686
  O     17.00132521      8.37087259     -8.98362665
  H     15.61778952     13.39546982    -10.78129041
  H     20.20638483      5.68268294    -11.89905666
  O     18.55189032      7.10965204    -14.68072006
  H     15.37587293     14.89421465    -10.49174688
  H     13.88885716      7.51777689    -13.94117509
  O     19.39004670      8.33632948    -10.43152151
  H     16.03746922      4.84790479    -15.60787477
  H     13.25921621      6.21135803    -13.48094271
  O     13.25684268     12.36613701     -9.03525042
  H     15.31706704      5.88344894    -14.71401346
  H     11.41106974      5.54436253    -11.76654756
  O     11.88784405      8.67268476    -11.07185265
  H     16.28987540     10.72697318    -13.87940019
  H     12.03703476      6.94084620    -11.58742331
  O     17.71685177      9.46635630    -13.57302448
  H     14.84179994     10.47233812    -13.43024706
  H     15.29252748      5.04659377    -11.03816548
  O     19.40599203      6.16896305    -12.07929406
  H     16.45643670      8.20919095    -10.75163064
  H     13.78106767      5.37779929    -10.90398096
  O     13.83107765      6.57914772    -14.16439857
  H     16.32282073      7.13002422    -11.85914558
  H     18.74522302     10.40614198    -12.50296184
  O     12.23220505      6.02482347    -11.84504364
  H     17.67268736      5.50981375    -12.06651288
  H     19.93454772     11.33196219    -12.14882770
  O     14.55398491      5.07321065    -10.41474386
  H     16.54811797      5.27158169    -13.11229885
  H     14.72696015      8.69429194    -12.38227201
  O     19.17489799     10.89153495    -11.77567550
  H     16.48801214      7.64354862     -8.60725675
  H     13.20917836      8.99787190    -12.29861483
  O     13.97597675      9.05544437    -12.88028285
  H     16.50921894      9.18681087     -8.81439567
  H     15.83387873     11.00821871     -9.76281582
  O     15.37868550     10.61913402     -9.00491593
  H     17.76965193      6.57470170    -14.86474322
  H     14.62888880     11.20688578     -8.83014607
          69
 Energy    -248.68123578028906     
  O     16.63646085      6.19596600    -11.86604479
  H     16.48360172      7.09516430    -12.19757588
  H     19.47835823      8.21452142    -13.14681701
  O     17.11635579     10.54710586    -11.04555063
  H     17.41276175      6.24751127    -11.29784666
  H     16.92848877     11.74266377    -14.34701717
  O     17.73377978      9.66911997    -16.77987601
  H     16.83913751      9.88900324    -11.70345263
  H     17.78714083     10.97097001    -15.37184251
  O     13.55813167      3.87994767    -12.94782313
  H     17.95422569     10.90232692    -11.36463324
  H     17.06673516      8.53675005    -13.59480639
  O     12.98657283      9.90659391    -10.66594461
  H     17.06657184      8.98296591    -16.95676116
  H     15.57237262      8.97102045    -13.39708553
  O     14.00518613      5.94472551    -11.00254879
  H     18.06655585      9.94524972    -17.63018905
  H     12.85752016      6.37360890    -12.43349998
  O     15.19738319     11.96149193    -13.90607164
  H     12.85462707      4.41849658    -13.32540024
  H     11.91566472      7.39981065    -13.09743250
  O     17.78382937      5.51299379    -15.94867081
  H     13.71987554      4.29710132    -12.09076647
  H     16.97889566      9.30489656     -9.68166233
  O     14.19861540      7.94667919     -8.99768661
  H     13.59068295     10.65578936    -10.74042960
  H     17.54584824      7.90419234     -9.41423762
  O     18.48209015      7.95722662    -14.68501113
  H     13.39864939      9.26442515    -10.07594021
  H     20.06661553     11.99832663    -12.42458440
  O     15.91013881      4.80786415    -14.11771275
  H     14.93720510      5.97620401    -11.26175885
  H     18.89618611     11.37964611    -13.22671966
  O     19.83058150      8.46056505    -12.28057838
  H     13.93095185      6.56028584    -10.26455718
  H     19.60114854      6.39380286     -9.90782313
  O     17.84063897     11.50602094    -14.57366754
  H     14.97948409     12.07808946    -12.97487476
  H     19.25789109      7.44361642    -10.99064797
  O     16.37370546      8.68864954    -12.93838247
  H     14.75476648     11.14682198    -14.18049761
  H     14.92082730     12.82801401    -10.51527151
  O     12.29378433      6.51896092    -13.20769282
  H     18.28359014      4.77632055    -16.29042689
  H     15.67887692     11.55832582    -10.96988227
  O     16.84936766      8.51295431     -9.14251537
  H     17.12907255      5.14475535    -15.33015473
  H     14.81640312      6.14936136    -14.90404337
  O     19.43261363     11.28713667    -12.41654880
  H     15.15575431      8.12344172     -9.02441323
  H     13.40621577      6.68150403    -14.63258671
  O     18.87371406      6.85655393    -10.31422977
  H     13.96242211      7.86668636     -8.07692023
  H     10.86519555      9.77436725    -12.96486421
  O     14.82810210     12.02672883    -11.02470585
  H     18.32694580      7.08517709    -15.06826848
  H     12.08392233      9.48718654    -12.05119615
  O     14.16295248      6.78122596    -15.22895401
  H     18.38581436      8.59371955    -15.40538488
  H     14.13301529      8.55808946    -14.78370082
  O     11.65925246      9.25187068    -12.89690793
  H     15.13291111      4.31081262    -13.82919827
  H     13.23018261      9.42511061    -13.87751193
  O     14.07773098      9.41580028    -14.34130507
  H     16.26268552      5.24056296    -13.32526120
  H     15.29477900      7.33193668    -16.66192128
  O     16.10578918      7.51196555    -17.15364914
  H     19.81031589      9.42465157    -12.26226675
  H     16.69908074      6.78398457    -16.92941780
          69
 Energy    -248.68118820929573     
  O     12.34450693      9.36805449    -11.30702783
  H     12.09904129      8.79468160    -12.04300485
  H     12.74880433     11.90230328     -8.96037951
  O     11.57107145      7.68295933    -13.42865307
  H     11.81845915     10.17379482    -11.37881335
  H     12.58008499      8.65153940     -9.58994116
  O     10.92019177     11.76208205    -11.49659189
  H     11.05408626      7.10858992    -12.85017396
  H     13.35018142      8.64150521     -8.21776803
  O     15.03049590      9.65594058    -11.15662890
  H     10.96011259      8.21653305    -13.95378322
  H     14.61514461     10.42988866     -7.81985306
  O     15.33973539      6.87829160    -11.63111362
  H     11.50908872     12.25541321    -12.08298136
  H     14.62352290      9.95406438     -6.35808540
  O     13.17727572     15.33308139    -11.50446966
  H     11.15553674     11.99120880    -10.58804662
  H     12.15230396      5.99292014    -10.78584575
  O      8.78268633      8.33988328    -10.30599550
  H     14.06903057      9.59527211    -11.28350542
  H     12.95872807      6.67391665     -9.67887700
  O     12.74003639     13.06924765    -13.11733868
  H     15.35144734      8.75158311    -11.23323062
  H     15.23484262     11.00829312    -12.34963841
  O     15.41349946     13.63389676    -10.84300599
  H     16.02221616      6.23657877    -11.45354680
  H     15.14988053     11.30220044    -13.85613486
  O     11.70272967     14.86200889     -9.25809158
  H     14.52735963      6.53920199    -11.21526967
  H      9.53936228      9.43414123    -15.71453070
  O     14.27022499      7.80233056    -14.11843187
  H     12.63677402     15.21291990    -10.70453579
  H     10.70867653     10.13190590    -14.98096256
  O     11.81507193     12.14507442     -8.89251826
  H     13.23000193     16.27191996    -11.66324134
  H      9.14184868      9.89912937    -13.23265894
  O     12.66498958      8.19753424     -8.73753814
  H      7.88856886      8.31201852     -9.97391401
  H      9.50308941     10.79428749    -12.03218741
  O     14.50010537      9.65021583     -7.25386918
  H      8.78363488      8.97275102    -11.04784647
  H     11.15944095      9.18028754     -8.28647832
  O     13.03847846      6.04848533    -10.41531986
  H     12.84092780     13.92151894    -12.67641787
  H      9.82667404      9.40048915     -8.99619457
  O     15.19336493     11.73117755    -12.99258335
  H     13.59112335     12.61340900    -13.03899840
  H     12.17599975     11.95213069    -14.52112596
  O      9.98933308      9.48208770    -14.87560285
  H     14.73622689     14.28946557    -11.04697105
  H     12.93507574     10.84182570    -15.26949414
  O      8.88774164     10.10588077    -12.32626977
  H     15.51835975     13.10305795    -11.64322375
  H     14.59032793      9.31427557    -14.88886893
  O     10.43015826      9.81113416     -8.36849200
  H     11.07973200     15.26245581     -8.65737596
  H     15.21477685     10.04168333    -16.10315326
  O     12.05242104     11.19985325    -15.11353881
  H     11.71319918     13.91588258     -9.03934421
  H      9.79160544      6.95841139    -10.94755130
  O     14.71108153     10.18648488    -15.30681774
  H     13.32507860      7.67156382    -13.95964035
  H      9.71954085      5.47560686    -11.36802468
  O     10.27861913      6.24866052    -11.39624502
  H     14.71844820      7.45533183    -13.33861561
  H     14.89394919     12.38536977     -9.63240470
  O     14.55557179     11.58016313     -9.21681742
  H     11.31318246     11.36928674     -8.60201248
  H     14.78828932     10.85828520     -9.81881874
          69
 Energy    -248.68118052057588     
  O     12.39863402      8.07836406     -9.87090355
  H     12.99673769      8.83587936     -9.72331411
  H     14.31477410      6.39971376    -15.73246302
  O     16.37681963      4.97333939    -12.76653697
  H     11.60704448      8.24923646     -9.36939915
  H     18.30849822      7.86840203    -15.24876023
  O     14.06298771     11.67044669    -12.01846808
  H     16.73682320      4.93776187    -13.66652546
  H     19.71946590      7.64774483    -15.84395945
  O     16.66132791     11.78331492    -13.27504919
  H     17.11338701      4.98182340    -12.14331480
  H     15.70578762     11.25097372    -14.81982678
  O     11.62301218      8.32743659    -16.02648761
  H     14.92955035     11.80361554    -12.41990895
  H     14.30009573     10.65284786    -15.04254926
  O     16.57134624      6.79946931     -9.37956938
  H     13.47653199     11.41943126    -12.74067755
  H     16.12784090      7.99377662    -13.66800024
  O     12.88443545      6.33522219    -14.49977467
  H     17.25806648     12.52097193    -13.17389670
  H     16.02321151      6.80074565    -12.67584430
  O     12.71498308     10.31194622    -14.21389440
  H     17.01840551     11.05970969    -12.73323649
  H     13.44173982      6.51416257     -9.96528711
  O     14.03042741      8.90362692    -17.46898627
  H     11.96687073      7.55417095    -15.55113899
  H     13.82811201      5.35812066    -10.91522608
  O     17.27083776      5.12804679    -15.33709966
  H     10.76058083      8.08223109    -16.35361957
  H     19.22908926      4.90367661    -10.67279144
  O     16.67692118      8.49153245    -15.31197469
  H     17.23928217      6.28569001     -9.84521320
  H     18.86667642      6.19078201    -11.45346622
  O     15.01880927      6.56450491    -16.37367479
  H     15.71350658      6.40857877     -9.60121124
  H     14.69000964      4.50769210    -12.69375568
  O     19.13015821      7.35513552    -15.15297075
  H     13.04489944      5.52029032    -14.00927587
  H     13.60214025      3.42307558    -12.53539523
  O     15.16502892     10.77309474    -15.46202266
  H     12.94140231      7.03071705    -13.82514466
  H     16.87707359      8.97597103    -12.01698986
  O     15.84687006      7.74400462    -12.77668925
  H     12.87983238      9.62885784    -13.54323563
  H     17.35329253      9.72423140    -10.75453103
  O     14.08343959      5.80529216    -10.10260364
  H     12.17512850      9.87026677    -14.87735942
  H     18.87009387      8.39758457    -12.11633830
  O     18.49309890      5.41416647    -10.99896329
  H     14.42904992      9.65231703    -17.01155407
  H     19.37930132      7.51930806    -13.28636127
  O     13.72804102      4.36094473    -12.65892112
  H     13.14662281      8.80273264    -17.09156802
  H     16.70581906      8.48221966     -9.11323264
  O     17.48292451      9.66918422    -11.71037593
  H     16.54233522      5.50250603    -15.85009402
  H     17.15465816      9.62325382     -8.16699805
  O     19.37716953      7.60325234    -12.32459403
  H     17.99008461      5.77027997    -15.36248179
  H     14.08056626     10.71494759    -10.45820016
  O     16.78990479      9.45127726     -9.03041145
  H     16.12840251      7.80870909    -15.72555390
  H     15.00704136      9.98165466     -9.44360632
  O     14.08648727     10.13781621     -9.68093809
  H     16.20939432      9.33104311    -15.41081107
  H     14.13109518      8.09558370    -12.49073263
  O     13.17046407      8.21653798    -12.53871560
  H     14.70170705      7.28204491    -16.94337480
  H     12.81842072      8.16285880    -11.64320052
          69
 Energy    -248.68117997766385     
  O     12.35430251     11.35686456    -14.24183751
  H     12.67384562     11.30548690    -13.33041640
  H     15.82663722      6.12160731    -15.39723584
  O     13.81331117      5.92376221    -12.37303680
  H     13.12780503     11.23823493    -14.80596677
  H     15.33927198      7.10254482     -9.91342591
  O     18.07187408      5.07692090    -11.21727240
  H     12.93026174      5.64933866    -12.64847424
  H     15.09037220      6.18140360    -11.13181397
  O     12.70943982      3.49311841    -15.04625688
  H     13.87845607      6.85901578    -12.62458176
  H     14.75904785      8.71891031    -13.69260004
  O     10.24169974      9.66006218    -14.40139827
  H     18.67105307      5.78587775    -11.47776029
  H     13.63949128      9.23106132    -12.74945283
  O     14.23454747      8.31780600    -17.02524936
  H     17.28642081      5.50912325    -10.85280773
  H     15.22867608     11.61194607    -16.24956922
  O     14.42607619      8.43056528     -9.10456986
  H     13.61329243      3.82726910    -14.93992716
  H     15.40312028     10.42585238    -15.27800207
  O     19.54166701      7.25925963    -12.43796683
  H     12.66891985      3.12692140    -15.92673048
  H     10.36233170      8.44909946    -12.90864843
  O     12.10106437      7.75824812    -15.28399593
  H      9.46858371     10.10919095    -14.73169142
  H     10.70141622      6.97281350    -12.60178888
  O     17.61238926      3.65169353    -13.47412798
  H     10.95610043     10.32123039    -14.36177410
  H     15.97992116      4.23355026    -14.11679059
  O     18.68631619      6.01922345    -14.68842640
  H     13.41655036      8.03913485    -16.59104678
  H     14.76103184      5.09499152    -13.67251588
  O     16.24948213      6.89040762    -15.80387065
  H     14.34189212      9.24611774    -16.78942824
  H     11.58632545      6.24804140    -14.35298183
  O     15.78558877      6.54060080    -10.56303430
  H     13.50872334      8.52235087     -9.39124665
  H     11.66808219      4.72837655    -14.13513884
  O     13.91522278      8.48147932    -13.28998335
  H     14.87408091      9.23411661     -9.39303079
  H     11.10466981      9.14337206     -9.41951907
  O     14.74905994     10.91960830    -15.79992101
  H     20.48478588      7.39217930    -12.47300259
  H     11.34361923      8.51078611    -10.80652231
  O     10.54484117      7.83118406    -12.18982439
  H     19.28133336      6.86179413    -13.28917368
  H     16.44706191      8.40643632    -14.85760845
  O     15.18665043      4.68104001    -14.43794214
  H     11.36386896      8.37292157    -15.18065343
  H     16.75904720      9.06815449    -13.47437407
  O     11.38604097      5.55035751    -13.71088015
  H     12.74737256      8.01869509    -14.60895591
  H     14.16363507     10.78616518    -11.26023769
  O     11.77760338      8.98949899    -10.07804355
  H     17.94475235      2.76219555    -13.39010315
  H     12.72304098     10.22584633    -11.07111577
  O     16.37976350      9.22878041    -14.34777064
  H     17.75928318      4.08969337    -12.61640739
  H     16.41172795     11.23747739    -10.03515275
  O     13.30052875     10.70067970    -11.68493962
  H     18.41052095      5.14153151    -14.39570244
  H     16.39319420      9.96285674    -10.90808641
  O     15.82869416     10.59901956    -10.43858727
  H     17.95339449      6.36126293    -15.21672327
  H     18.10055766      8.25638225    -11.93395048
  O     17.22037598      8.61277046    -11.75589689
  H     15.58727648      7.31314726    -16.37056189
  H     16.69592254      7.88466682    -11.38997376
          69
 Energy    -248.68114695171550     
  O     13.11005354     10.16135844    -11.52623592
  H     12.70456187      9.29189264    -11.44027830
  H     16.39088793      7.03622669    -13.39996927
  O     13.24056689      7.49689314    -13.68473291
  H     12.40978037     10.77350148    -11.78700302
  H     13.05434165     14.88600596     -6.71055631
  O     11.10340962     11.93985714    -12.23390484
  H     12.63143183      7.44825555    -12.94339795
  H     13.47050834     14.55452990     -8.16388284
  O     14.56254828     10.77214136     -9.27335605
  H     12.90380706      8.18353783    -14.27667205
  H      9.58587244     11.35457683     -9.64076310
  O     14.61341906      6.98490904    -10.40808882
  H     10.71074495     12.11001755    -11.36626538
  H     10.86148249     12.04317585     -9.11719567
  O     12.48063374     15.92805524    -11.33239400
  H     11.76501918     12.62044141    -12.41375696
  H     11.85249780      9.83365572     -8.23839945
  O      9.29475678      7.98628924    -11.91000408
  H     14.04567393     10.51738341    -10.05591955
  H     12.68511017      8.55304760     -8.13894358
  O     13.26519869     13.61467879    -12.68532470
  H     14.73874232      9.96005294     -8.78452149
  H     14.68514946      7.72778762     -8.84653716
  O     14.48427590     14.90693005     -9.55263392
  H     15.13692580      7.19831804    -11.18985735
  H     15.08129175      7.77476163     -7.34954619
  O     11.88472383      7.69260116    -10.99233753
  H     13.68981689      7.00953982    -10.68603492
  H     15.23212852     12.11306513    -10.32293989
  O     10.80018045     14.89570642     -9.47145140
  H     12.21558123     16.81084485    -11.57500187
  H     15.74383172     12.07268283    -11.76147704
  O     15.84373787      7.64316992    -12.90797231
  H     11.80756624     15.59033957    -10.71401611
  H     12.83400693     10.35091311    -15.18474929
  O     12.80378425     14.37620720     -7.47622224
  H      9.51495661      8.64962454    -12.59064078
  H     12.28904230      9.49618890    -16.35042764
  O     10.08897869     12.17960858     -9.68499455
  H      8.57353114      7.46470273    -12.25020024
  H     10.33362318     10.64117812    -13.21825081
  O     11.82959450      8.88734393     -8.43728491
  H     13.99071819     13.31473285    -12.12111579
  H     10.76612240      9.69941285    -14.35435081
  O     14.58155392      8.23274326     -8.01952500
  H     12.99696666     14.48024136    -12.35146036
  H      9.09855566      9.04197801    -10.30814228
  O     15.43791656     12.68322069    -11.07883973
  H     14.96564941     14.24176771    -10.05923407
  H      9.91348619      9.18962038     -9.01209033
  O     12.32085803      9.55171029    -15.39876729
  H     13.91720248     15.36679123    -10.18475513
  H     14.57668489     11.29299920    -14.24771344
  O     10.08862994      9.82625974    -13.68052659
  H     10.97491715      7.67348372    -11.32038860
  H     13.58443595     12.46486001    -14.21221663
  O      9.17703503      9.56953963     -9.50429746
  H     11.83944869      8.06434234    -10.09792836
  H     15.87227745      9.58129446    -12.91743532
  O     13.84467657     11.69695068    -14.73452468
  H     10.36198942     14.04207210     -9.58402826
  H     14.65348694     10.37765000    -12.44341347
  O     15.52339712     10.47720036    -12.86408351
  H     11.36369468     14.79945627     -8.69357006
  H     13.12132853     11.43889240     -8.44601643
  O     12.27655969     11.68163714     -8.03954666
  H     14.94169446      7.56123688    -13.26786915
  H     12.40593440     12.56955627     -7.68332777
          69
 Energy    -248.68101998003019     
  O     19.82174984     10.55579353    -11.71716751
  H     20.55315116     10.79504743    -12.29632392
  H     18.61732589     14.86407512    -14.84540141
  O     14.08392531     15.32570656    -14.18723584
  H     19.36916257     11.38393818    -11.50326297
  H     14.71365451     10.70501872    -12.13735548
  O     20.63876446     14.11348197    -12.62291315
  H     13.85163953     14.79811508    -14.96815340
  H     14.21115142     10.44803938    -13.59552584
  O     17.13726890     11.77118048    -17.79367026
  H     13.59065615     16.14053120    -14.24979126
  H     17.87585500     12.66101108    -12.24814795
  O     20.45663950     12.21184415    -15.78642114
  H     21.17222729     13.32358147    -12.76553679
  H     17.69126911     13.04998135    -10.77441592
  O     15.60240614     10.24880097    -10.68817361
  H     19.86764443     13.81994085    -12.11731841
  H     12.78135437     13.89497547    -17.06451337
  O     16.83823134      8.54834469    -14.18555226
  H     18.00925908     11.83688567    -18.20117229
  H     13.86884028     12.93620513    -16.53819136
  O     21.82318970     11.59261275    -13.47172131
  H     16.85574509     12.68379072    -17.63087640
  H     18.60506637      9.34477478    -11.61637620
  O     19.82349146     12.40451935    -18.54794034
  H     20.12532322     13.08452418    -15.52394765
  H     18.17333596      7.98141130    -11.02984825
  O     16.04140581     13.01437905     -9.88179994
  H     20.39625268     12.17405270    -16.74829417
  H     16.54979765     14.54076247    -16.34347878
  O     18.18794739     10.59483534    -15.50232468
  H     15.87122735     11.08918129    -10.29870222
  H     15.34122897     14.34565417    -17.26181041
  O     19.55473281     14.75055640    -15.05371324
  H     16.40574362      9.75742301    -10.90157768
  H     14.10645944     12.79174666    -12.22628080
  O     14.36552672     11.13347880    -12.93745852
  H     17.16140378      8.55030332    -13.27658471
  H     14.14731713     14.29544022    -12.54398908
  O     18.36446803     12.91916542    -11.45183383
  H     17.41807761      9.14432056    -14.67967889
  H     16.82074996     13.84115451    -14.24072056
  O     13.56534728     13.86249852    -16.52209611
  H     22.74419610     11.39967170    -13.62895176
  H     15.96482371     15.12644280    -14.33548309
  O     17.85815775      8.72466743    -11.53772275
  H     21.42023051     11.75178340    -14.34098158
  H     13.81275192      8.37441058    -15.05473051
  O     16.30204310     14.40184269    -17.27087898
  H     19.60207110     13.33971576    -18.38142739
  H     15.22743245      8.88071623    -14.68312599
  O     14.22652220     13.66429431    -11.82213112
  H     20.31704900     12.37793865    -19.36298592
  H     17.30631872     11.57979815    -14.25916186
  O     16.81610524     14.74961550    -14.58282162
  H     15.39324537     13.32003346    -10.54125674
  H     16.00244323     11.82023549    -13.43136797
  O     14.33642515      9.16500061    -14.95838034
  H     15.75075084     13.35278643     -9.03906517
  H     19.34726237     15.01531169    -16.91485410
  O     16.86347371     12.19254469    -13.65948784
  H     19.04813451     11.03172862    -15.48570012
  H     18.09453713     14.90809966    -17.80872185
  O     19.05969756     14.90069491    -17.83165716
  H     17.74772510     10.91418208    -16.30227166
  H     14.44290404     10.57127810    -16.18305504
  O     14.50995208     11.34632435    -16.75386904
  H     20.01314956     14.68455059    -14.20244115
  H     15.36322109     11.29644276    -17.20066007
          69
 Energy    -248.68098705618297     
  O     11.34502647     10.20790475    -10.85312706
  H     10.79009718     10.21610248    -11.64381669
  H     18.25864275      6.20752268    -17.12014184
  O     13.22460839      7.96383703    -15.40342439
  H     12.18374469     10.61032343    -11.11110064
  H     16.63924337     11.69049450    -13.55325642
  O     18.14921719      9.70836429    -16.73315271
  H     13.08583225      7.17562148    -14.86135823
  H     16.47173514     13.16483058    -13.12178749
  O     12.41590590     10.36748807    -14.40868320
  H     13.75052761      7.73722074    -16.18558461
  H     16.06046393      7.55366339    -14.16198448
  O     15.61732793      4.79203641    -11.07663227
  H     17.34185879     10.01379047    -17.16813438
  H     14.80381207      8.36126201    -14.58397476
  O     12.91147071      5.90423733    -13.54590861
  H     18.09516312      8.74462521    -16.73451137
  H     10.52446446      7.59458539     -9.25061879
  O     15.13824127      8.71466987    -11.41221741
  H     12.64828598      9.51379823    -14.80593948
  H     11.17637571      8.58053996    -10.25068846
  O     15.60981254     10.45043436    -17.78969757
  H     11.49859271     10.29235763    -14.12167325
  H     18.15519922      7.55780688    -11.73894844
  O     15.06561287      4.01758456    -13.60618954
  H     14.83431682      5.31580299    -10.85252184
  H     16.67834368      7.59184987    -11.30806793
  O     17.59864429     10.29947171    -14.12394017
  H     16.35650833      5.41299027    -11.07486106
  H     10.55215914      7.18440407    -11.85172025
  O     15.03893055      7.68715086    -17.42260773
  H     13.09810738      6.17959640    -12.63573810
  H     11.13265744      6.63936904    -13.17428951
  O     17.71334712      6.84879322    -16.67000578
  H     13.51850712      5.17602835    -13.71835420
  H     20.16809309      9.06439868    -12.52926785
  O     15.98424463     12.36725922    -13.31229296
  H     14.68317634      9.56471014    -11.38756470
  H     18.74290466      9.40858481    -12.99024871
  O     15.62096478      8.40912320    -14.07463350
  H     15.29728414      8.56201987    -12.35748974
  H     16.35944259      5.27010779    -14.05903385
  O     11.04903092      7.63659138    -10.04527895
  H     15.19997990     10.92891421    -17.04756242
  H     17.25258665      6.25307851    -13.24488509
  O     17.39779204      6.98842364    -11.53769395
  H     15.42689072     10.96053802    -18.57454005
  H     14.98263598     12.07347721    -14.94830911
  O     10.41224444      7.16431117    -12.80739879
  H     15.05878554      3.07107911    -13.72007433
  H     13.66847717     11.36622936    -15.32788136
  O     19.25276340      8.82586303    -12.40681685
  H     15.25819161      4.18833771    -12.66507345
  H     12.66418844      6.87272561    -10.48013897
  O     16.99722361      5.99116553    -14.14096848
  H     16.85933715      9.67291953    -14.08159320
  H     14.04054563      7.37630407    -10.99927557
  O     14.47235579     11.75361602    -15.70011493
  H     17.93250286     10.22929821    -15.03012671
  H     13.31619187     10.79043950    -12.86491302
  O     13.48634745      6.58792848    -10.89589200
  H     15.18729356      8.62107074    -17.62526741
  H     14.51185622     11.61236395    -12.34705204
  O     13.77352640     11.06494252    -12.05522534
  H     15.91104343      7.32487830    -17.23053201
  H     10.04780172      8.83512807    -13.20547216
  O      9.91075024      9.79508250    -13.29959738
  H     17.56031815      6.50169710    -15.77670685
  H      9.00516583      9.91947855    -13.56972781
          69
 Energy    -248.68082588132245     
  O     14.23423655     10.83171186     -8.45386035
  H     14.25680744     10.43005997     -7.58919103
  H      9.62104158     13.68588014    -12.89046177
  O     10.69269146     10.93830327    -14.66460753
  H     14.46203692     10.13109566     -9.09187893
  H     16.01743217     14.33710392    -17.59742296
  O     14.69462081      8.91079849    -10.31623044
  H     10.95993586     11.19053409    -15.55849052
  H     15.38383997     13.97019223    -16.23220461
  O     18.16559290     13.75327822    -13.13733599
  H     10.56193017     11.75541288    -14.16494978
  H     13.16499957     13.13531772    -11.99989639
  O     11.87492038     11.30264815     -9.96953619
  H     15.34885751      8.90821892    -11.02237804
  H     12.97702270     14.31210380    -11.03151904
  O     12.13738348      9.00087754    -11.44942663
  H     13.82954424      8.77145499    -10.72725033
  H     11.79771276     13.49816665    -16.18937923
  O     13.19336739     10.02965713    -13.77415838
  H     19.08868023     13.97305045    -13.22897382
  H     11.29488292     14.08556150    -14.85583295
  O     14.41507520     15.32643234    -10.37955314
  H     17.93307027     13.18568797    -13.89550518
  H     15.24660908     12.15541292    -12.48851921
  O      9.91492800      8.72703683    -13.11133720
  H     12.61275377     11.21308139     -9.35268078
  H     14.03358151     11.51493876    -13.23960205
  O     14.46692687     14.39491181    -14.80684561
  H     12.01837168     12.13727029    -10.43138085
  H     16.85324020     11.34803638    -15.03255259
  O     14.41362769     11.18434795    -17.03935780
  H     11.95184603      9.79646573    -10.92468161
  H     17.00309184     12.63005035    -15.87844505
  O     10.43801915     13.39610247    -13.28928266
  H     11.32232799      8.77048961    -11.91424233
  H     11.47837132     11.68797199    -17.98489883
  O     15.87329962     13.61295903    -16.99500963
  H     12.93130462      9.59905077    -12.94846600
  H     12.71450186     11.53519051    -17.07020548
  O     12.49190386     13.62126236    -11.49699534
  H     12.37423299     10.33061250    -14.18475017
  H     17.62360621      8.77774768    -12.04940490
  O     11.85359908     14.27523012    -15.61955575
  H     14.45116148     16.16756103     -9.93206568
  H     16.88281811     10.13484221    -12.01515071
  O     14.41989307     12.35009488    -12.94516627
  H     14.96748415     15.41270949    -11.17765374
  H     16.20029976      9.47553693    -14.08684516
  O     17.40081959     12.13390060    -15.15203760
  H     10.08357904      9.47042546    -13.71031536
  H     14.79363408      9.81721207    -14.56321739
  O     11.77621362     11.79573858    -17.08543096
  H      9.43714512      8.07985190    -13.62455825
  H     16.54392805     12.22121849    -10.76531139
  O     16.80520299      9.20445439    -12.29225930
  H     14.50055485     13.64382825    -14.19495750
  H     17.40064256     12.49242414    -12.04370443
  O     15.72066044      9.82756359    -14.84700632
  H     13.54678358     14.47864930    -15.09589571
  H     15.38898707     15.29352574    -13.44054728
  O     16.84957105     11.83554587    -11.60136238
  H     14.90860422     10.62352730    -16.43140414
  H     16.73125280     14.97859307    -12.76200109
  O     15.91349407     15.47755395    -12.64969123
  H     14.93053207     11.99437489    -17.13839568
  H     15.19797432     12.33161230     -9.00112201
  O     15.78796712     12.98434346     -9.40097606
  H     11.13209274     13.52080058    -12.62041804
  H     15.26144424     13.76170134     -9.61930427
          69
 Energy    -248.68077724358236     
  O     12.70752232     13.87993523    -10.61245716
  H     13.54571362     13.60474439    -10.21650882
  H     14.48630190     14.77485547    -15.74400815
  O     16.05743187     12.38911286    -17.41116918
  H     12.28262587     13.06960862    -10.91171032
  H     12.09477388     15.38466778    -14.98208350
  O     16.60773881     16.17428647    -11.54036046
  H     16.02125233     12.53331995    -18.35272633
  H     13.21187288     15.24676562    -13.92032491
  O     14.73659065     10.54402141    -15.74130009
  H     15.78507056     13.22344959    -16.98650868
  H     19.24073167     12.85322196    -12.38057244
  O     15.26740814      8.55935977    -11.68770954
  H     17.02409555     15.57967040    -10.89705002
  H     18.44629747     11.73566820    -11.67595846
  O     16.12504663      7.00130261    -13.93123792
  H     16.73117709     17.06245640    -11.21246610
  H     14.64174493     11.30215354     -9.81967631
  O     15.73616145     12.72455670    -12.75634645
  H     14.20625498     11.10288118    -15.15590277
  H     14.65546458      9.82503859    -10.30078789
  O     12.11458520     11.19504473    -11.72691300
  H     15.11578161     11.12726710    -16.41072023
  H     18.13986098     10.87528225    -15.57657633
  O     17.17008779      9.44124165    -14.89919535
  H     15.66518178      7.93594830    -12.30840954
  H     17.66523208     12.04123882    -16.45544077
  O     19.54565705     13.47421976    -14.14231958
  H     14.33265836      8.59129392    -11.93199547
  H     14.03974747      8.84736390    -15.35560063
  O     13.37954852     12.23557249    -13.99139919
  H     15.28178810      7.26428930    -14.34543130
  H     13.24765808      8.19970272    -14.19731020
  O     15.36304394     14.63582470    -16.12178523
  H     16.24892182      6.07492864    -14.11751052
  H     18.26542499     13.69967170    -10.41629451
  O     12.88759785     14.89924160    -14.77203009
  H     16.30851371     11.95113952    -12.66358420
  H     18.39744473     14.41425701     -9.05019719
  O     18.93617160     12.55320734    -11.51541476
  H     16.22764151     13.41875380    -13.21135840
  H     17.37693130     10.14010018    -13.23105444
  O     14.09409473     10.51234956     -9.92666616
  H     12.53584285     11.57377441    -12.51306126
  H     16.58833419      9.85675923    -11.94514231
  O     18.37861530     11.76511237    -15.86729863
  H     12.80209897     10.99490075    -11.06924783
  H     14.68728284     15.85575773    -12.05220912
  O     13.82272284      7.99847786    -14.94675655
  H     16.31892400      9.81964188    -15.16921634
  H     13.35593091     15.13111359    -11.72949775
  O     17.84635344     14.35269059     -9.82563412
  H     16.99044274      8.52819142    -14.64579358
  H     12.24107987      9.48763943    -12.26942869
  O     17.24984518     10.45003631    -12.32354398
  H     19.16154161     12.84168089    -14.77733182
  H     11.87964614      8.00666463    -12.04970985
  O     13.79293282     15.71209312    -12.37198006
  H     20.40694221     13.70847791    -14.47733437
  H     15.41379448     12.95664570    -11.00249673
  O     12.49783561      8.57965381    -12.49770604
  H     13.06846449     13.08441781    -14.32785763
  H     16.14476626     13.44230006     -9.74046117
  O     15.33880598     13.00988708    -10.03632651
  H     14.21258648     12.42054531    -13.52703356
  H     17.03621559     15.41736161    -13.17868578
  O     17.11528405     14.85472639    -13.95954467
  H     15.99491956     14.81174704    -15.41118417
  H     18.01654369     14.50988825    -14.00220582
          69
 Energy    -248.68074775944672     
  O     16.56512833      8.51168493    -15.92536750
  H     17.16613162      8.41990859    -15.17073666
  H     17.28936941      9.31373063    -17.30414250
  O     14.82723889     10.77256880    -15.01637694
  H     15.82075502      9.03377690    -15.61104563
  H     16.33390851     11.83828850    -11.10207781
  O     20.40594899     10.43210227    -10.82679364
  H     14.45273948     10.38721391    -14.21184518
  H     15.50664440     11.47409106     -9.84928277
  O     20.09761816     12.85266934    -12.06609467
  H     15.74337039     11.00530188    -14.79479713
  H     17.73086505     16.20124544    -13.39906911
  O     14.22339436      9.71913461    -12.54630663
  H     20.32945302     11.33930049    -11.16697284
  H     17.96683453     17.64217242    -12.89679957
  O     17.86834643      9.12387309    -11.05208046
  H     21.07032165     10.45129535    -10.14215034
  H     20.26357947     12.15046319    -15.38060982
  O     18.26710052      8.69518199    -13.73376645
  H     20.32024720     12.58478240    -12.96933960
  H     21.33745458     13.11969848    -14.81068424
  O     15.24047421     11.45782874    -17.72313671
  H     20.36213838     13.78042274    -11.98435241
  H     15.20166086     13.18023317    -17.72252776
  O     17.76428290     14.48402946    -16.50514885
  H     14.23928421      8.80709633    -12.26227241
  H     14.68812641     14.52261772    -18.29981852
  O     20.76886522     15.47670964    -12.31335322
  H     14.73793229     10.20757828    -11.88760772
  H     19.05386598     15.73036077    -16.13495514
  O     18.79248124     11.91799563    -16.45831795
  H     17.18615681      9.76559239    -10.82537710
  H     19.30718985     16.66236855    -14.93332913
  O     17.62029530      9.88421896    -18.02122015
  H     18.71689769      9.54832950    -10.86764418
  H     17.17608982     14.68818034    -14.77128004
  O     15.82503322     11.12615363    -10.67885873
  H     19.21456344      8.88594699    -13.80143329
  H     15.80547894     14.50967947    -14.10295687
  O     18.41634350     16.86664887    -13.22365556
  H     18.05210843      8.68234094    -12.78949976
  H     21.15131134     15.41417539    -15.28357539
  O     20.90804774     12.26627066    -14.66900883
  H     14.96085075     11.15035926    -16.85012920
  H     22.69057986     15.25430038    -15.29881832
  O     15.19155505     14.14523450    -17.58376147
  H     16.02390841     10.94413462    -17.95119946
  H     20.84457141      9.79492467    -12.64022222
  O     19.72202422     16.29716792    -15.72379545
  H     18.16250010     13.60622995    -16.58905741
  H     21.02328419     10.46348293    -14.01858684
  O     16.70726338     14.82035091    -13.93495571
  H     16.91090806     14.45522062    -16.95581248
  H     17.72306027     10.39034482    -13.98740202
  O     21.89281826     14.90244850    -14.91275480
  H     21.26367272     15.36392985    -13.13519113
  H     17.40885610     11.81859434    -13.42050605
  O     20.85686020      9.61541075    -13.58807201
  H     19.99685954     16.01055476    -12.53867179
  H     14.37272898     12.71303878    -14.83881843
  O     17.40383329     11.27548898    -14.21550223
  H     18.53683954     11.25260765    -17.10726354
  H     14.53370565     13.91388758    -15.78307481
  O     14.39960989     13.67603120    -14.85616706
  H     18.28051494     11.71687281    -15.65720689
  H     17.10574367     13.68091984    -12.58980318
  O     17.35364129     12.96646334    -11.98670504
  H     17.88128029      9.30607360    -18.73291573
  H     18.31914146     12.96433342    -11.91810790
          69
 Energy    -248.67979231090783     
  O     12.29240964     10.99704533    -15.67237597
  H     11.81901746     11.41629465    -16.38756160
  H     15.36817564      5.71391186    -14.33497898
  O     15.67628549      6.68963874    -12.83909639
  H     12.63543470     10.15507486    -16.02156779
  H     15.32174867      8.16273884    -13.85141888
  O     17.68248272     10.79955319    -11.78545794
  H     15.01606027      6.91046660    -12.16870069
  H     14.46050853      8.80730495    -14.97759870
  O     16.90983899     10.41561096    -15.87483416
  H     16.52106618      7.07599869    -12.56867470
  H     10.40526099     10.51129043    -13.11331816
  O     12.43351284      6.16714253    -15.55327088
  H     16.79065753     11.03747927    -12.08105165
  H     11.65990540     10.52203966    -14.01029408
  O     14.78031170     10.05271170     -8.70449240
  H     17.67753574     10.83350544    -10.82152659
  H     17.68067149      8.72248891     -9.28944753
  O     13.70765239      7.50511574    -11.05555242
  H     17.58367073     10.87578197    -15.35170443
  H     17.84965691      7.72722182    -10.45434021
  O     15.16696539     11.26218806    -12.78395828
  H     16.35746277      9.90386350    -15.26328572
  H     11.62015845      8.28371015    -13.20759394
  O     17.12824489      6.26593975    -16.85080151
  H     11.73535117      5.56033992    -15.78396842
  H     12.45172277      7.25245194    -12.42218000
  O     15.08607723      7.19508194     -8.65390114
  H     12.20626498      6.54148925    -14.68242179
  H     18.54075768     11.28420743    -13.31232857
  O     18.47807989      7.99216149    -15.03666171
  H     14.15735261     10.22655538     -9.42146976
  H     19.78856831     11.32088835    -14.20935794
  O     15.16718660      5.38870201    -15.22479821
  H     14.77056093      9.09750080     -8.56415405
  H     18.30820852      7.95816264    -13.23266709
  O     15.09846165      8.99746820    -14.28032727
  H     14.08555449      7.28073924    -10.19585022
  H     17.91928740      8.99419210    -12.14769089
  O     11.30026325     10.18372269    -13.17572532
  H     13.59257272      8.46582791    -11.06332964
  H     16.46415230     10.49658262     -8.87418698
  O     17.58209092      7.79241494     -9.52858703
  H     15.10187964     10.40122793    -13.22964206
  H     17.73783036     11.13292187     -8.26811692
  O     11.87923831      7.35535462    -13.19353931
  H     15.06846334     11.91110329    -13.49253419
  H     16.24563308      9.31275337    -17.28893350
  O     18.84174601     11.44191549    -14.22067950
  H     17.49887085      5.53564850    -17.33879945
  H     16.24932009      7.79013401    -17.53260740
  O     18.02967806      8.04739592    -12.30908467
  H     16.42166773      5.89922929    -16.28898757
  H     13.95969662     10.73260246    -11.59271852
  O     17.42225049     10.61506648     -9.00370215
  H     15.11982069      6.55411860     -7.94937582
  H     12.48985786     10.29853393    -11.67144950
  O     15.76019724      8.60062647    -17.72577734
  H     16.00112535      7.32216499     -8.96431385
  H     13.98741460     11.98096394    -15.44574989
  O     13.26106801     10.28184258    -11.09374140
  H     18.18518054      8.83862638    -15.38699651
  H     15.51162313     11.88348720    -15.66732514
  O     14.82388636     12.42415221    -15.26059535
  H     18.10078422      7.33088792    -15.63090396
  H     14.14285429      8.58100887    -17.02656989
  O     13.35149690      8.64306438    -16.46798651
  H     14.22955203      5.55817607    -15.36715766
  H     13.01272476      7.75579289    -16.29817756
          69
 Energy    -248.67969745693435     
  O     15.75424781     10.16511251    -16.78315426
  H     14.88523895     10.35691465    -16.41408065
  H     17.98659111      6.82220077    -11.15431326
  O     16.14287795      5.13281678    -13.16053553
  H     16.33823111     10.92475093    -16.62917579
  H     19.76526103      9.90560552    -16.91869882
  O     16.97813379     12.47662431    -13.44277786
  H     16.48039253      5.25467152    -14.05967621
  H     20.84002658     11.01800581    -16.85838794
  O     19.35001762      9.53920178    -14.00236210
  H     16.87224882      5.36587869    -12.57558533
  H     16.31591739      8.52478206    -14.00751707
  O     15.00381700      6.54607052    -17.34938244
  H     17.02857380     13.31598262    -12.98902855
  H     16.47836572      9.06696210    -15.46548188
  O     15.91643397      9.56483132     -8.50824526
  H     17.44183167     11.83298746    -12.88227281
  H     12.43996281     10.71420082    -15.86338822
  O     15.25807272      8.55328095    -12.52942826
  H     19.71871985     10.00110189    -14.76414746
  H     13.23252374      9.43853540    -15.48202813
  O     20.09882561      6.85076202    -13.68938392
  H     18.49704892      9.17494000    -14.29160932
  H     16.78669814      8.59306063     -9.76094966
  O     13.71263715      6.30916231    -13.07999089
  H     15.48301193      7.11801229    -17.95938572
  H     16.45038947      8.33756958    -11.25719857
  O     19.85724522      6.00773593    -16.24873268
  H     15.69047993      6.14941775    -16.79559894
  H     13.84188954      7.31537280    -16.20352491
  O     17.11972781      5.91134910    -15.63478031
  H     15.91985204      9.92442731     -7.62521082
  H     13.36698125      7.18773269    -14.73447640
  O     18.36688138      6.02295387    -11.55660852
  H     15.72888602     10.31185242     -9.10084365
  H     18.71999763     10.30380127    -12.50677713
  O     20.03198606     10.71890204    -16.45096394
  H     14.59061903      7.86926044    -12.66591487
  H     17.90121593      9.82762570    -11.29881436
  O     16.90471177      8.54590526    -14.77372120
  H     14.86438364      9.42596830    -12.65892983
  H     15.09410360     11.46508300    -11.19352688
  O     13.26157261     10.41490140    -15.48381680
  H     19.53566116      6.52793748    -12.97609275
  H     16.57795517     11.36232643    -10.82103159
  O     17.15812625      8.27467979    -10.59519557
  H     19.97553274      7.80914980    -13.71790387
  H     18.37480579      8.34488567    -18.04703723
  O     13.31269070      7.74722045    -15.51639936
  H     14.55503303      5.81853289    -13.09892354
  H     19.44834974      7.58252570    -17.22216727
  O     18.15654165     10.62274557    -11.78523158
  H     13.08394765      5.76042508    -12.61973466
  H     13.98402002     10.99213502    -13.87795745
  O     15.70300103     11.52801809    -10.44844324
  H     20.52788879      5.36361132    -16.45791216
  H     15.28080039     11.63818319    -13.32395176
  O     19.24235891      8.43029923    -17.63405677
  H     20.00281264      6.27682826    -15.32314575
  H     18.43363919     11.71748670    -16.28710966
  O     14.48081225     11.16072746    -13.06623999
  H     17.06656638      6.83480996    -15.34182678
  H     17.42768881     12.28642065    -15.25286672
  O     17.55095474     12.09738840    -16.19182352
  H     18.02911685      5.77693089    -15.92349218
  H     16.26184482      9.12333309    -18.09607578
  O     16.60673611      8.48391122    -18.74430927
  H     18.71446922      5.49762516    -10.83940584
  H     16.42984505      8.84810325    -19.60833108
          69
 Energy    -248.67920400882738     
  O     12.87039231     13.11533101    -13.62702208
  H     13.34277145     13.53254015    -14.35711304
  H     17.52380472     11.33309629    -16.01414390
  O     17.64016403      7.00046138    -14.44860004
  H     12.52869782     12.28330115    -13.97754426
  H     14.70702552      8.62820978    -17.81966335
  O     19.60324844     11.46527277    -13.14907008
  H     17.24041132      7.25576964    -15.28643966
  H     14.05812158      8.67578884    -19.22055777
  O     16.77564497     14.20937377    -14.45763221
  H     17.02595739      6.38224668    -14.03236622
  H     16.90426438     10.20908098    -13.10431253
  O     15.62951427      5.52109671    -13.07914595
  H     19.41447482     11.79947450    -12.26568196
  H     16.24159489     11.60094118    -12.84354764
  O     16.96249585      9.62138115    -10.29247499
  H     19.30860423     10.54312208    -13.11897790
  H     12.05567017      9.84100844    -15.31882537
  O     15.33230845      7.49419071    -11.25245690
  H     15.99121647     14.16637803    -15.01683128
  H     13.07879680     10.95995232    -15.52624117
  O     13.83460715     13.45985928    -11.12809163
  H     17.47374619     13.71678179    -14.90674735
  H     17.89833630      8.96968488    -11.89001290
  O     12.02312686      8.27859259    -16.28896659
  H     15.56206159      4.64907510    -12.70077390
  H     18.09387364      8.29193787    -13.30525473
  O     15.95748822      8.15741298    -16.58320393
  H     15.56586711      6.15638450    -12.34255075
  H     14.68751544      9.89506082    -12.97603482
  O     14.11972838      7.29342917    -14.65461046
  H     16.08995885     10.04317269    -10.23908132
  H     13.21322385      9.84052364    -13.43459506
  O     16.73237233     10.78507733    -15.96856339
  H     17.59452269     10.34864192    -10.24973192
  H     15.60477434     13.40277237    -11.62115382
  O     13.96883352      9.00309064    -18.32902110
  H     15.93722084      8.06863523    -10.76764550
  H     16.60964872     13.67474634    -12.79573279
  O     16.15082769     10.77362322    -13.33103220
  H     14.69092753      8.08661844    -11.66246756
  H     19.16529345     12.18475217    -14.67051008
  O     12.42470954     10.62958755    -14.89600853
  H     13.43926239     13.34371892    -12.01109457
  H     19.64393069     12.83335091    -15.98910706
  O     18.27052923      9.08097633    -12.77266995
  H     13.30620791     14.10965966    -10.67294195
  H     17.79009297     12.53393853    -10.98176260
  O     13.84603856      9.43025694    -12.83000985
  H     12.62809160      7.75228824    -15.74826589
  H     18.83114361     12.62773597     -9.84268367
  O     16.49213413     13.21446451    -11.94981375
  H     12.51627071      8.47376133    -17.09447492
  H     15.16894129     11.26548637    -16.63230084
  O     18.86271037     12.54915184    -15.52247271
  H     16.31358044      9.02975881    -16.36025709
  H     14.03799247     10.73668963    -17.53934480
  O     18.51143278     12.05569146    -10.53596885
  H     15.33005208      7.89968058    -15.89023835
  H     13.98299993     10.31364464    -11.08469004
  O     14.26228289     11.44664445    -16.92669164
  H     14.53337585      6.55477031    -14.19129035
  H     14.19641843     11.70183092    -10.47952217
  O     14.41443252     10.77069784    -10.35342044
  H     14.01490511      8.00017190    -14.00383315
  H     13.98858242     14.66482122    -16.55246658
  O     14.31802612     14.00887740    -15.94221862
  H     16.46490773     10.79558383    -15.03541565
  H     14.25667126     13.15170323    -16.39498394
          69
 Energy    -248.67899293600146     
  O     18.22731679      9.07565310    -10.60243823
  H     17.37524522      9.49446210    -10.77716169
  H     16.85192696     11.77346508    -10.98795762
  O     14.53660546      8.58080729     -9.26472934
  H     18.05499026      8.20971995    -10.21114705
  H     18.93266297     11.00759882     -8.19149637
  O     19.23386050      3.32191935    -11.96008839
  H     15.16557773      8.84491809     -8.56874311
  H     19.11460329      9.93023441     -9.28489578
  O     21.24410674      7.18072538    -12.22121170
  H     13.67052431      8.59711459     -8.86584647
  H     19.13797221      9.16430672    -12.09227799
  O     16.30704585      9.47138089     -7.43620932
  H     18.37053819      3.73298089    -12.14975701
  H     19.85107025     10.27622174    -12.86363338
  O     18.09671913      5.65318744    -15.03762352
  H     19.08348393      2.38468230    -11.87647583
  H     20.21826788      4.36371417    -13.27001207
  O     22.80024587      8.24702156    -10.12296395
  H     21.88548100      7.53725010    -11.59350610
  H     20.87690420      5.76065689    -13.39626975
  O     21.26486745      6.91833605     -8.30762917
  H     20.73712982      7.93493702    -12.55269742
  H     17.19788912      5.05930373    -13.44676521
  O     18.76780709      7.95801314     -7.20077812
  H     17.07054124      8.94504570     -7.17142875
  H     16.38961932      5.27290623    -12.13809214
  O     17.74118778      6.61658466     -9.45289397
  H     16.62483170     10.37451628     -7.55830647
  H     15.23929742      9.81448281    -10.51122077
  O     17.41370204     12.07313015     -7.97220312
  H     18.02479109      5.22099428    -15.88477046
  H     15.54411391      9.79289254    -12.02477541
  O     17.51262438     12.40102792    -10.66509933
  H     18.98913642      5.45784658    -14.70017360
  H     16.08747782      8.51160077    -13.82618934
  O     19.53335422     10.31810892     -8.49928890
  H     23.71911719      8.10001177     -9.91290760
  H     14.54887026      8.56289344    -13.99957264
  O     19.62900388      9.33966490    -12.91194241
  H     22.28381977      7.83108332     -9.40953523
  H     21.01047433     10.75627659     -9.47670269
  O     20.47802894      5.04229497    -13.90551727
  H     20.54219481      7.21898345     -7.74665744
  H     22.11868057     10.03268596    -10.25238216
  O     16.95762824      4.65057529    -12.60502073
  H     20.88225781      6.25739235     -8.90144467
  H     15.10164696      7.22110813    -10.47682687
  O     15.75044113     10.25613921    -11.20186778
  H     19.11739356      8.77381991     -7.59142218
  H     15.44599149      7.28189622    -11.96954911
  O     15.24055871      8.54435596    -13.34423659
  H     18.37063291      7.44093133     -7.91804640
  H     17.81868825      7.45921247    -14.79314985
  O     21.64167456     10.86854985    -10.20233736
  H     18.49389553      6.11533361     -9.79998813
  H     18.35677181      8.73680168    -14.09323148
  O     15.52221974      6.71862013    -11.18750897
  H     16.99059390      6.47989479    -10.04327628
  H     20.46762804     12.77150347    -12.45522722
  O     17.59909496      8.37266724    -14.56975187
  H     17.42590581     12.26591528     -8.92713743
  H     20.66171739     11.64261717    -11.41713015
  O     20.04328473     12.00535158    -12.07754901
  H     17.30113514     12.90662377     -7.52360161
  H     20.42080429      6.04452517    -11.03776039
  O     20.05227112      5.44638289    -10.37171991
  H     18.31777572     12.25829036    -11.17637004
  H     19.84733827      4.61598575    -10.81808895
          69
 Energy    -248.67860178465270     
  O      1.79565616      0.82389748      4.22330358
  H      1.33710064      1.62769629      4.49743300
  H     -5.22692150     -1.96354971      5.45905445
  O     -0.36458895      0.75763735     -3.17921060
  H      1.43703488      0.11113280      4.76256454
  H     -2.83064904     -0.86248278      5.50065779
  O      0.53515106     -1.25044796      5.88240866
  H     -1.07542005      0.74191831     -2.52434856
  H     -1.88332448     -0.21048540      4.47203203
  O     -1.92717181      0.57051718     -0.81562493
  H      0.06162253     -0.10659892     -3.11876434
  H     -0.75200440      2.78377984      1.73695795
  O      1.06081915     -1.64806269     -2.50813862
  H     -0.38211749     -0.93062792      5.81169302
  H     -0.62154069      3.07787620      3.26928982
  O      2.67535890      0.08222042     -1.16176248
  H      0.78226296     -1.18140248      6.80150835
  H     -2.49917392     -0.01356357      2.20775687
  O     -3.72990730      3.07606710      3.77647343
  H     -1.65140531     -0.35701670     -0.75088010
  H     -1.48104350      1.06401507      2.67565106
  O     -2.84422810     -3.33065015      3.32428188
  H     -1.24996241      1.09582817     -0.36993916
  H     -0.31081048     -2.05904083     -1.30093871
  O      0.30155753      3.15869234      4.89550216
  H      1.57785754     -2.23268380     -3.05576758
  H     -0.55937184     -2.07360769      0.23349122
  O      1.42234641      2.50066968     -2.11265568
  H      1.69139788     -1.09049330     -2.01827138
  H      1.34150189     -0.55587904      1.57784066
  O     -5.02107458      0.50649421      3.48613920
  H      2.56619005      0.11752813     -0.20178233
  H      1.99941480      0.52488155      2.45002392
  O     -4.43522706     -1.62155379      5.05341924
  H      2.42538557      0.95428169     -1.49048512
  H     -2.74066540      2.66736939      5.36785066
  O     -1.98947240     -0.39621369      5.41901197
  H     -4.20903509      3.86208110      3.52416887
  H     -2.07854373      1.39422835      5.92409029
  O     -1.25153193      2.90304193      2.55780553
  H     -2.91640234      3.06548787      3.24521064
  H      0.59456796      2.40311356     -0.44818985
  O     -1.70356750      0.12776849      2.73982825
  H     -1.96083724     -3.37335829      3.70378077
  H      0.77246463      1.47863877      0.78577179
  O     -1.00221128     -2.07257070     -0.62809812
  H     -3.38117286     -2.80693412      3.93046938
  H      0.39252244     -4.21507223      4.46997716
  O      1.87610497      0.24955964      1.53069554
  H      0.65797838      3.92653297      5.33456058
  H      0.23650542     -2.71896604      4.82513478
  O     -2.05263097      2.35932556      5.97132809
  H     -0.50615057      2.90505758      5.37724087
  H     -0.56232641     -1.13506418      2.19606287
  O      0.17063955      2.11285016      0.36840603
  H      1.67989463      3.19586118     -2.71127615
  H      0.11884964     -2.46897191      2.58730610
  O     -0.03874653     -3.40738097      4.20039287
  H      0.78335135      1.93945954     -2.58861611
  H     -3.23212972     -3.07558124      1.54375457
  O      0.07501226     -1.80199581      1.89413957
  H     -4.80208361      0.30000570      2.56519416
  H     -2.66909437     -2.72931838      0.13510725
  O     -3.47930148     -2.77395857      0.65695466
  H     -4.65438556      1.38246131      3.64867252
  H     -3.40818051      0.27292682      0.31586995
  O     -3.91034017     -0.12250989      1.03896674
  H     -4.70841390     -0.86952575      4.49607445
  H     -3.90207092     -1.08190163      0.88730312
          69
 Energy    -248.67857133635854     
  O     12.19514382      9.02272100    -15.94412684
  H     11.42542633      8.80943308    -15.38388548
  H     17.29728140      9.17839165     -9.60665424
  O     11.59162637      8.42592069    -11.73290978
  H     12.09479337      8.52723117    -16.75247243
  H     14.75661243      8.03095829    -12.28729584
  O     13.68699675      8.72516886    -13.61402697
  H     11.96126589      7.74222680    -11.15921123
  H     14.48865613      7.30843097    -10.94301352
  O     13.39845037     12.86040368     -7.01166326
  H     11.44023202      9.19666299    -11.17239313
  H     14.09405325     15.55853108    -11.51216140
  O     11.44704838     11.81513321    -15.72934533
  H     13.29777257      8.75805493    -14.49648073
  H     14.76035235     14.18641608    -11.26509835
  O     14.01080508      8.17186279     -8.05470774
  H     12.94820454      8.68097163    -12.98883341
  H     13.32505791      7.17460859     -9.24960761
  O     14.22346275     10.51879888    -10.64522916
  H     13.19327476     13.47523032     -6.31324589
  H     12.80194054      5.78778313     -9.70040750
  O     12.27559544     10.24065330     -7.49260651
  H     12.98201899     13.20449297     -7.82366799
  H     17.53243505     10.50428336    -11.61758588
  O     16.20873741     13.34378542    -10.74842645
  H     12.01498930     12.30875637    -15.12299063
  H     18.38281683     11.29806531    -12.63616334
  O     11.52722134     10.81091968    -10.15969875
  H     11.85671341     10.95204690    -15.86412042
  H      9.98358472     11.84550800    -12.95444057
  O     12.93634666     13.02508539    -13.62080536
  H     14.90909093      8.49354179     -7.93211194
  H     11.39240295     12.45236043    -12.77026261
  O     17.43204190      9.13241308    -10.56008658
  H     13.41285414      8.88225934     -7.77593385
  H     14.83865275     12.17711417     -7.92030339
  O     15.12380645      7.86710739    -11.40789288
  H     14.51320931      9.60078910    -10.70824412
  H     14.98614101     11.34717444     -9.23137968
  O     13.92001699     14.62042868    -11.49642855
  H     14.44235675     10.92819615    -11.49203495
  H     14.60242126     10.28787623    -13.47723053
  O     12.99618217      6.66602212    -10.01526057
  H     12.60832916     11.09387766     -7.19262328
  H     15.86330758     11.14836433    -13.07933851
  O     17.51666213     11.25319132    -12.24021528
  H     11.83023238     10.41203157     -8.33314779
  H      9.87807089     11.49048511    -15.01517709
  O     10.62344111     12.11983438    -12.28815333
  H     16.71970748     12.72189742    -11.27912962
  H      8.33545437     11.60129592    -14.92893078
  O     15.48368828     11.77447520     -8.51549226
  H     16.08333049     12.91599804     -9.89113282
  H     17.14926253      9.42980942     -7.02363229
  O     14.92050272     11.18144937    -13.28389823
  H     11.11810070     11.26173152    -10.91828622
  H     16.29671141     10.29431138     -7.98182094
  O      9.09692898     11.22676934    -14.49497167
  H     12.48158571     10.74154065    -10.32473974
  H     12.79921359     13.93844003    -10.12109411
  O     16.63644614      9.39603311     -7.82734178
  H     13.65727995     12.37767088    -13.59088125
  H     11.87784538     12.76733534     -9.70796138
  O     12.32024284     13.55536958     -9.37636688
  H     13.19123007     13.71017890    -12.99128798
  H     10.50461789      8.48660320    -13.30438582
  O     10.16552411      8.60829856    -14.20032652
  H     16.72545799      8.56072557    -10.89407596
  H      9.67315411      9.43954720    -14.20560688
          69
 Energy    -248.67821391975417     
  O     15.40836593     11.80367651    -11.18387221
  H     15.98897927     11.29493272    -10.60466954
  H     15.36036203      8.41317401    -16.33525041
  O     14.37681143      7.36099877    -15.15623298
  H     15.83239700     11.80991630    -12.05171367
  H     18.92911153      8.34657551    -11.62524190
  O     15.09870183      5.44824404    -11.20857867
  H     13.50936624      7.52132729    -14.76127203
  H     19.14194989      9.73441287    -12.29278265
  O     18.76614498      6.60857733    -11.97974692
  H     14.70155911      6.51900914    -14.80988080
  H     15.38829687      8.29573207    -13.95891099
  O     14.69412120     11.51393796    -15.88843895
  H     15.32759881      6.36285995    -10.98485416
  H     16.91316786      8.43486473    -13.81548682
  O     12.36063093      5.67925198    -10.95879547
  H     14.14473617      5.36709029    -11.07071898
  H     12.27094082     12.00249131    -11.08828326
  O     12.03628820      7.89643050    -13.78428625
  H     18.62536366      6.22360760    -12.85029540
  H     13.71030727     11.50019356    -11.34925235
  O     15.49785873      8.13587032    -10.77264686
  H     18.45649872      5.94258753    -11.35064032
  H     13.98658643      4.11553858    -14.34893574
  O     18.18611931      8.28613014    -15.25213206
  H     14.32668633     12.15826829    -16.48719855
  H     13.30681408      2.84636029    -14.88492119
  O     11.10040011      5.25205511    -13.52552955
  H     13.95430243     11.18368159    -15.34625508
  H     12.36831951      9.70834206    -14.25254287
  O     18.12609197      5.64063883    -14.63318370
  H     12.34496610      6.64244870    -10.88155198
  H     12.71163271     10.91488996    -13.35917333
  O     15.98613353      9.05700873    -16.69797983
  H     11.86106350      5.47141674    -11.75683954
  H     16.68252882      4.79261075    -10.61036647
  O     18.94836624      9.30196099    -11.45620429
  H     11.59421373      7.03890783    -13.77216181
  H     17.58951058      4.24647017     -9.49871160
  O     16.07866330      8.64616485    -13.38043164
  H     12.29901134      8.08132082    -12.86999892
  H     15.36915342      5.19683010    -12.98381924
  O     12.76874745     11.30272976    -11.50241875
  H     16.01034531      8.73744590    -10.22254411
  H     16.37760885      5.17911791    -14.17604090
  O     13.12258313      3.70741517    -14.51855357
  H     15.76629976      8.31295643    -11.68872199
  H     19.72568665     11.37117351    -14.21637828
  O     12.72303777     10.60545636    -14.27341518
  H     18.67129370      9.06023491    -14.94476774
  H     18.24257886     11.02929695    -13.94070909
  O     17.60914614      4.63345502    -10.37035731
  H     17.48355860      8.59092808    -15.84996739
  H     13.71594194      8.37319806    -10.96755954
  O     15.44757792      5.07449372    -13.94152038
  H     10.26161579      4.82548703    -13.68036802
  H     12.64307720      9.45851809    -11.17760265
  O     19.13378052     10.64899506    -14.02205690
  H     11.78391140      4.67591158    -13.90909137
  H     17.83040077      9.85513631    -10.28822629
  O     12.77618938      8.50300923    -11.16259226
  H     18.77586254      5.13465953    -15.11493437
  H     17.56081753     10.25882807     -8.81846366
  O     17.13421656     10.12524357     -9.65993532
  H     18.20316874      6.56032066    -14.94164212
  H     16.27622665     10.42718572    -13.54703987
  O     16.48591534     11.35294114    -13.75076353
  H     15.58868140      9.91959714    -16.53249496
  H     15.93625091     11.58036150    -14.51105134
          69
 Energy    -248.67807089608334     
  O     15.35383396      9.64026568    -15.36112515
  H     14.80425945      9.03240784    -15.84802344
  H     18.57923318     12.03163266     -9.58187845
  O     20.27194070      9.22592324    -15.29209768
  H     16.20221839      9.69915946    -15.83661505
  H     21.63719812     16.38490013    -13.12988823
  O     19.51154394     13.59456204    -10.15223962
  H     20.68939534      9.96995254    -14.82587103
  H     20.10395129     16.32624206    -13.31179716
  O     14.92586419     13.35412366    -12.26200054
  H     20.95890799      8.80695413    -15.80550792
  H     21.14662098     10.93435141    -10.79804411
  O     20.27280822      9.37808145    -10.35710246
  H     18.81267752     13.79012592    -10.79427113
  H     20.73167992     12.42489167    -10.81430815
  O     15.73455800     10.88328015    -10.95075245
  H     19.99704251     14.41560137    -10.01168345
  H     16.37407609      9.89756444    -12.23015763
  O     21.33097202     13.90680318    -14.95842394
  H     14.96405397     13.03512673    -13.18148951
  H     16.23408372      9.43692141    -13.72149104
  O     21.08495125     15.92139312    -10.14042479
  H     14.06907364     13.75568046    -12.14628324
  H     20.52256248     13.48378658    -18.12136961
  O     21.17921639     11.36715217    -13.84172111
  H     19.95840917      8.98263069    -11.18949771
  H     20.69220556     13.43906553    -16.59054965
  O     15.17524515     12.45022409    -14.82409297
  H     20.50064465      8.65426026     -9.77964976
  H     23.23978582     14.90040799    -12.75892476
  O     17.78200681     10.04918097    -16.50255076
  H     15.42803861     11.74139875    -11.26115719
  H     24.11253818     15.73617727    -13.72836647
  O     18.12494901     11.18057856     -9.56326598
  H     16.51029754     11.03645136    -10.38915083
  H     18.41037627     14.71269592    -14.96479836
  O     20.80132861     16.67932409    -12.74660905
  H     20.51957368     14.33518104    -14.64906777
  H     18.46140030     14.83094460    -13.43833591
  O     21.40428146     11.80376122    -11.13171248
  H     22.07231603     14.40254339    -14.58894077
  H     22.46608450     14.70816621    -10.71718888
  O     16.84077694      9.48528814    -12.97496406
  H     21.14065453     16.68182976     -9.56810311
  H     22.62867936     13.24040016    -11.16708824
  O     20.11205256     13.16901300    -17.32002421
  H     20.92177932     16.25618630    -11.03994435
  H     19.68628271      8.50290586    -13.57618397
  O     23.23362446     15.39054524    -13.60177998
  H     21.30976912     12.22677741    -14.26385862
  H     18.39965001      8.62939351    -12.74260271
  O     18.90395088     15.12571635    -14.24948943
  H     21.36082504     11.48017211    -12.89790730
  H     17.90453563     10.92747283    -13.34066688
  O     23.03053051     14.11645286    -11.23091778
  H     15.94817919     12.74763171    -15.31969839
  H     19.35067566     11.50345598    -13.54328788
  O     19.33357435      8.37480683    -12.68988211
  H     15.10329772     11.50316834    -14.99584754
  H     18.54144568     13.04164058    -16.49351333
  O     18.41346734     11.72689338    -13.52966860
  H     18.61243859      9.74862200    -16.11266850
  H     18.03208156     12.52781210    -15.09684720
  O     17.76189735     12.96155669    -15.92354684
  H     17.82218948     11.01111330    -16.51503961
  H     16.67458277     13.88712388    -12.06789914
  O     17.63670184     13.92628064    -12.12727480
  H     18.79522044     10.52241487     -9.77931947
  H     17.91227345     13.09611290    -12.55099922
          69
 Energy    -248.67772484238549     
  O     19.08533869      9.54781144     -6.80769355
  H     19.75734544      9.84390464     -7.44739489
  H     16.41745630      9.00551393     -8.69115106
  O     18.12910407      5.05802455    -10.30427281
  H     19.18167436     10.09694959     -6.03377684
  H     20.70910847     10.56135085     -9.59274452
  O     18.00055489      7.57665988    -12.95124048
  H     17.47526730      5.06929978    -11.01532339
  H     21.30637655      9.35354800     -8.87907112
  O     22.13249004      6.18562709    -11.77336558
  H     18.40894251      5.97903918    -10.18345386
  H     15.79021315     10.24442221    -13.64663086
  O     16.19543047      5.49145643    -12.24781287
  H     17.49508365      6.75599974    -12.89426226
  H     16.62417156     10.21312454    -12.34010094
  O     20.67420858      8.42233899    -12.86215981
  H     17.36246418      8.29086470    -13.07942056
  H     11.75772328      6.44956203    -11.98132600
  O     21.23811717      5.62683645     -7.59962128
  H     22.87292625      5.76685069    -12.20403571
  H     13.17904997      6.79628944    -11.48221565
  O     14.39831784      3.97618971     -8.23088049
  H     21.65878454      5.48398769    -11.29159849
  H     15.79389646      6.91300399     -8.46963784
  O     21.45081097      7.62063928     -9.46711547
  H     15.72221432      6.29950060    -12.00345406
  H     14.31876615      7.36360862     -8.55110556
  O     18.79124487      7.73268641    -10.22603413
  H     15.59142901      4.77917051    -11.99077878
  H     14.94714161      7.79702910    -10.52559395
  O     18.74701120      6.67454334     -6.64332579
  H     21.18470172      7.65627667    -12.57489943
  H     15.10502451      8.48616057    -11.92944699
  O     17.17813110      9.58131380     -8.85302874
  H     19.79605716      8.08728340    -13.08841196
  H     20.95051969     11.43951956    -11.96360441
  O     20.90602077     10.21898740     -8.71291385
  H     22.02192349      5.54232562     -7.06164371
  H     20.55603540      9.94842662    -11.96237948
  O     16.09838535      9.66715640    -12.95388935
  H     21.38925402      6.37772076     -8.19923304
  H     17.19924868      5.14645713     -8.76623369
  O     12.43035835      6.18876000    -11.35760271
  H     15.23489654      4.43641339     -8.04831632
  H     17.37319492      5.82095474     -7.38010936
  O     15.22613903      7.65333498     -8.72403258
  H     14.35344323      3.24237015     -7.62296403
  H     12.49909630      6.29171499     -9.42841631
  O     14.70772665      7.74200100    -11.46203096
  H     20.51453889      7.70036474     -9.71526116
  H     13.22466192      5.49329959     -8.33440307
  O     20.43471287     10.79055242    -11.49077928
  H     21.89028369      7.23424989    -10.23372830
  H     18.57857631     10.97925517    -11.30238269
  O     16.72206858      5.40757761     -7.96576337
  H     18.58225733      7.79415563    -11.16731409
  H     17.43082749     10.62446970    -10.32256023
  O     12.81410630      6.34878623     -8.51785646
  H     18.23903176      8.37176081     -9.75972565
  H     19.86009256      4.43855215    -10.30780172
  O     17.61907786     10.98514274    -11.20082062
  H     19.58849875      6.27215414     -6.89163760
  H     20.98368776      4.58938907     -9.27417472
  O     20.82018000      4.37950018    -10.20072374
  H     18.88538035      7.62842798     -6.65374897
  H     14.29816573      3.84230134    -10.16332782
  O     14.21802627      3.93962263    -11.11987664
  H     17.70888078      9.62080967     -8.04765269
  H     13.49991627      4.57142805    -11.25214939
          69
 Energy    -248.67719187374607     
  O     20.86530713     11.70759457    -18.81759705
  H     21.33618899     12.45996425    -18.41477534
  H     17.84249596     12.95737464    -18.87199130
  O     16.77672536     18.18361093    -13.32482704
  H     21.48870561     11.26014955    -19.38245171
  H     19.55957808     16.98025511    -17.32390560
  O     22.30494640     14.33239604    -14.81948383
  H     16.61722996     19.11440949    -13.19722641
  H     19.82680171     18.48443603    -17.56417013
  O     14.24760899     14.48455862    -14.06772818
  H     16.73843529     18.01766336    -14.28476237
  H     15.14957602     12.85428980    -13.86990550
  O     16.79132994     12.39100269    -17.42585778
  H     23.14297894     14.38621339    -14.36727592
  H     16.44338686     12.13215520    -13.39371823
  O     18.06238415      9.47576457    -12.41686992
  H     21.91855962     15.22594899    -14.79464262
  H     20.48818001     16.76415617    -13.99208368
  O     15.41891656     10.39281571    -16.00213841
  H     13.30628594     14.59874167    -13.96975656
  H     20.69710062     17.23651299    -15.44074170
  O     21.91034871     13.88956883    -17.60602714
  H     14.66933974     15.01125233    -13.36561611
  H     18.86157447     12.33002156    -13.06766249
  O     19.48301109     15.29525089    -17.70417835
  H     16.24643496     11.68140695    -17.06270713
  H     18.07147766     11.24560707    -12.29722968
  O     15.55068942     15.90052564    -12.18520782
  H     16.43783505     13.22289526    -17.08352811
  H     17.01445495      9.47916959    -15.46414717
  O     20.11113856     12.61662036    -14.33271520
  H     18.21179735      8.61733973    -12.03150393
  H     18.49409757      9.82806129    -15.64362673
  O     18.54981877     13.35365836    -19.39972841
  H     18.01680165      9.33415650    -13.37819747
  H     18.69928790     15.84342975    -12.30571248
  O     19.54653338     17.85814162    -16.90133423
  H     14.55810329      9.98461994    -16.02124144
  H     18.28230059     17.14673502    -13.04126756
  O     15.61620233     12.01048672    -13.87365434
  H     15.45277330     10.94916600    -15.20051097
  H     16.50680344     16.73568212    -16.22353865
  O     21.13934058     16.79453435    -14.70725888
  H     22.18444273     13.98131452    -16.68679273
  H     17.71864551     17.70588846    -16.32610789
  O     18.11615794     12.19896289    -12.46439860
  H     21.14303460     14.47130125    -17.70199425
  H     18.06570657     14.45515939    -10.25980913
  O     17.89780772      9.25126868    -15.14942013
  H     19.14355543     15.03435014    -16.83619542
  H     17.94509737     13.70957818    -11.60692636
  O     18.97331453     16.47351070    -12.98419783
  H     19.09105267     14.70913941    -18.36735961
  H     19.83243189     11.30771081    -17.34449078
  O     16.83599163     17.60069695    -15.95039627
  H     16.29185274     15.43785480    -11.77564230
  H     18.41965085     11.71042108    -16.84338487
  O     17.88432916     14.58521147    -11.18728278
  H     15.90042814     16.73664592    -12.51892764
  H     19.01357151     13.93396242    -14.86594366
  O     19.24982216     11.29167998    -16.57522587
  H     20.92896547     13.10927255    -14.47319870
  H     18.65231101     15.38683329    -14.47276067
  O     18.50753449     14.70777602    -15.14255394
  H     19.92681897     12.08635716    -15.12332826
  H     15.33311228     14.74089171    -15.56692828
  O     16.01980243     14.84417226    -16.23778763
  H     19.28481291     12.72916424    -19.37586263
  H     16.87024342     14.74759298    -15.77782125
          69
 Energy    -248.67702404203516     
  O     -3.07130000     12.13973641      8.40758258
  H     -3.95790996     12.50575267      8.29827197
  H     -1.83006702     12.97933050      7.44794103
  O     -4.16997326      8.60813589      4.25493243
  H     -3.13136558     11.21527835      8.14356419
  H     -5.44086782     13.98972228      6.23722963
  O     -2.55406662     14.99396502      4.94599692
  H     -3.87798912      8.81866430      5.15074329
  H     -5.34234262     13.49990573      4.77871402
  O     -3.34331678      9.66491018      6.83103935
  H     -5.11735153      8.79199979      4.25083518
  H      0.35867342     11.40623587      5.03027433
  O     -6.75168675      9.78197532      4.41097553
  H     -3.47613179     14.75683514      5.12106612
  H      1.59128029     11.40775006      5.96393303
  O     -0.75290108      8.89275911      6.64700065
  H     -2.01353929     14.56819396      5.62557567
  H     -5.15772007     10.02514957      7.12916167
  O     -3.31407176      9.78534136      1.75304966
  H     -2.47154796      9.25673966      6.94647494
  H     -6.42534491     10.14350206      6.26027184
  O     -4.02536370     12.53510581      1.43350635
  H     -3.19873882     10.37971233      6.19048977
  H     -1.78650498     14.45901756      1.89967334
  O     -1.35160296      7.87371748      4.11982140
  H     -6.29634945     10.60187968      4.14941078
  H     -2.00384596     14.09496178      3.38599297
  O     -0.67627039      9.30317284      1.70697556
  H     -7.55827443      9.73641146      3.90457058
  H     -2.68462233     16.53650253      4.06113899
  O     -0.42093835     11.46701844      3.43272077
  H     -0.84179381      8.46756658      5.77982357
  H     -2.57196746     18.07088028      3.90589835
  O     -1.29921610     13.32149140      6.71139804
  H     -0.22726331      9.68687976      6.50514045
  H     -3.28131224     15.66994202      0.72624543
  O     -5.23537050     14.28119842      5.34068188
  H     -3.65392034     10.67121640      1.57938618
  H     -2.51454022     16.52338109      1.75101149
  O      0.63703528     11.39570057      5.96228796
  H     -3.69101095      9.47546684      2.58584067
  H     -5.92829710     12.10382890      7.56321589
  O     -6.03467233     10.43093451      7.09360294
  H     -4.46238743     13.29093090      1.02127123
  H     -6.34507565     13.24220078      8.52452899
  O     -1.72927649     13.72995918      2.53411498
  H     -3.19867367     12.87676011      1.80453199
  H     -5.77838608     15.32910533      0.04825481
  O     -2.91041654     17.28576390      3.48333942
  H     -1.00825925      8.24490729      3.29924633
  H     -5.32536579     15.36488523      1.52740528
  O     -2.39227039     15.91714780      1.00876346
  H     -2.31164623      7.91200061      4.03943755
  H     -4.69315101     16.62467681      3.25460890
  O     -5.74130232     13.02562499      7.81828319
  H     -0.36839314      8.95939924      0.87341516
  H     -5.54503714     15.53410240      3.93251207
  O     -5.12137809     14.99162863      0.65113362
  H     -1.63717423      9.44814007      1.61903091
  H     -2.05599294     11.37803158      4.38370002
  O     -5.46903751     16.06340317      3.12898311
  H     -0.74465877     12.26994540      2.99946651
  H     -2.38855629     12.27800458      5.59011410
  O     -2.76642977     11.62271797      4.98959645
  H     -0.41517221     10.74912816      2.78688672
  H     -4.96885705     12.19866461      2.91999833
  O     -5.22251904     11.96734482      3.82347413
  H     -0.54933397     12.72677557      6.58494926
  H     -4.38982651     11.78075799      4.28596386
          69
 Energy    -248.67699196260395     
  O     -4.19071523     -0.45300496      3.19715108
  H     -4.32937802      0.44124182      3.53462419
  H     -5.67072827     -4.09240110      0.78181712
  O     -1.61739198      4.22529842      3.44621863
  H     -3.24722789     -0.65351806      3.23992388
  H     -3.25055505      1.55227640      0.15506421
  O     -1.52801173     -1.04589497      3.06785680
  H     -2.39845656      4.16744347      2.87249931
  H     -2.49247760      2.33761451     -0.95202206
  O     -2.71415671     -0.41012494     -2.61804863
  H     -1.40641236      5.15264892      3.52599428
  H     -6.52030321      5.12899418     -0.01624872
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  H     -1.17839857     -0.49974292      2.34836927
  H     -5.74213894      3.95855968     -0.66537811
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  H     -1.14959962     -0.69389766      3.88285941
  H     -0.29060017      2.85659112      3.15241035
  O     -7.06766015      1.75830121      0.70997752
  H     -2.02897852     -0.81900375     -2.07600314
  H      0.14376126      1.60926472      2.33831813
  O     -6.89786786      0.81659858     -1.98883440
  H     -3.54875260     -0.81206832     -2.34147843
  H     -8.01838317      1.36278999      4.12700725
  O     -4.86294798      2.16184186      3.89705122
  H     -1.43825159     -2.08212356     -0.25543173
  H     -6.55405552      1.53482824      3.67646997
  O     -2.70247553      2.27773086     -2.78326909
  H     -0.18835854     -2.26732034     -1.14716186
  H     -4.57009550      4.11722587      1.33016924
  O     -5.06607303     -1.30465233     -1.39161887
  H     -4.43344386      0.09770316      1.46785569
  H     -3.29185109      3.26496860      1.18138357
  O     -5.33655446     -3.20054209      0.72374307
  H     -5.43911488      0.94638703      0.62911060
  H     -7.14064852     -0.88524201      2.77027805
  O     -2.52653490      2.18239433     -0.00041996
  H     -7.32814498      1.60237836      1.62670043
  H     -5.70745333     -1.35297488      2.94952191
  O     -6.01755630      4.34536169      0.18822815
  H     -6.83263792      2.69107835      0.62205721
  H     -1.96218211      1.67638005      5.46879578
  O      0.29282208      2.08812550      3.16477455
  H     -6.39252030     -0.00383026     -1.93004815
  H     -2.20844154      3.07255546      4.87319530
  O     -7.41679618      1.17519640      3.41058215
  H     -7.17544884      1.02227640     -1.08666846
  H     -0.10323152      1.05566579      4.51340363
  O     -3.80511969      3.78742283      1.81731586
  H     -4.57406541      2.70653844      3.15332969
  H      0.22388602      0.31671134      5.83482183
  O     -6.57174471     -1.64212559      2.61463291
  H     -4.17574649      2.24087945      4.57655407
  H     -2.24177595     -2.36916536      1.80434847
  O     -2.61396749      2.38535106      5.41766228
  H     -2.20282020      2.55697878     -3.54508490
  H     -3.42923376     -2.90192022      0.94761516
  O     -0.46994916      0.46591014      5.19807132
  H     -2.71320734      1.30265403     -2.79520350
  H     -1.19915368      1.16021647      0.62529313
  O     -2.47515718     -2.76537901      0.95616606
  H     -5.23575809     -2.09865466     -0.87390228
  H     -0.48316418     -0.16921407      0.29898625
  O     -0.54530818      0.52972551      0.96149038
  H     -4.82957573     -0.63549601     -0.72902137
  H     -5.89558380      2.32892061     -2.19456303
  O     -5.34552922      3.12097516     -2.09943759
  H     -5.85635138     -2.67265727      1.35357642
  H     -4.46635526      2.88301863     -2.41200123
          69
 Energy    -248.67669155210902     
  O     12.12094552      8.52116155    -11.24031419
  H     12.51844648      7.89438621    -10.62750211
  H     15.41142867      6.45686637    -15.21420585
  O     15.12737440      3.34342515    -14.65098192
  H     12.60774723      9.34782879    -11.10738564
  H     16.21184765      4.08107428    -11.80602588
  O     13.29699295     11.27517719    -13.83433875
  H     15.06266692      2.43861985    -14.94296014
  H     17.39954851      4.40137601    -12.74014488
  O     15.41080775      8.89312995     -8.47842057
  H     15.73507770      3.35376775    -13.88960941
  H     14.20666758      7.69759644     -8.93338571
  O     17.77293394     11.04118410    -10.49411099
  H     12.69822778     10.54704339    -14.02917828
  H     13.04813935      6.81805522     -8.41784747
  O     11.75237967      8.79941047    -13.91544265
  H     13.44923343     11.22601422    -12.87891014
  H     20.08901526      8.67316429    -14.90410216
  O     15.72878697     11.80062566    -14.90282911
  H     15.31334003      9.84363017     -8.60924342
  H     18.67550388      8.33647170    -15.43816236
  O     13.88640079     10.65925155    -11.20894758
  H     16.35230290      8.71954089     -8.59585948
  H     13.89188724      4.50139921    -13.74330172
  O     17.10031060      6.85725848    -11.04470993
  H     18.02854503     10.20161651    -10.09055062
  H     13.64787432      6.01909426    -13.62228716
  O     17.65229574      7.85381825    -16.72912186
  H     17.80423709     10.91385466    -11.45063010
  H     14.70664719      8.06838086    -13.72939344
  O     18.06848599      6.16554949    -13.50527563
  H     10.84888497      8.63031014    -14.16784029
  H     13.31057199      8.03167453    -14.40958473
  O     16.11119741      5.84217254    -15.47433717
  H     11.81133525      8.64060467    -12.95536526
  H     14.38320548      5.17524593    -11.63443803
  O     16.76794107      3.71213156    -12.50486277
  H     15.72674760     12.67835277    -15.27603174
  H     14.44180234      5.72013427    -10.18996293
  O     13.55988883      7.02010796     -9.19778620
  H     14.83920627     11.65267053    -14.53346662
  H     18.87989495      8.11812481     -8.73615975
  O     19.18201255      8.55569200    -14.63371649
  H     14.34709187     11.11943833    -10.49884991
  H     17.84894333      7.87174216     -9.86397782
  O     13.50201808      5.17794482    -13.17527253
  H     14.49647165      9.98653320    -11.55117816
  H     16.33541535     11.53297325     -9.65364291
  O     14.21040706      7.68191141    -14.46801656
  H     16.36376776      6.24707791    -10.89704963
  H     15.59905526     12.47046932     -8.66471904
  O     14.93602520      5.20161449    -10.83740084
  H     17.50696848      6.62575446    -11.89203108
  H     16.03852748      8.13907055    -11.82378304
  O     18.15730935      8.52268988     -9.20879114
  H     17.22589882      7.01822734    -16.50154398
  H     16.29770388      9.38922080    -12.70186451
  O     15.49643805     11.67407848     -9.17752618
  H     16.92497729      8.49194854    -16.78855568
  H     17.06075375     10.98216351    -13.89054515
  O     15.60265571      8.80332103    -12.37029571
  H     17.38797754      6.03059092    -14.18118679
  H     18.17468437      9.87971710    -13.78163446
  O     17.60130582     10.46899977    -13.27444331
  H     18.58650880      6.92092455    -13.80745861
  H     15.52947259     10.29230684    -16.02894464
  O     15.41736167      9.44348493    -16.47309259
  H     15.76157013      4.94999428    -15.36123541
  H     14.91291688      8.89387044    -15.86296330
          69
 Energy    -248.67648523720732     
  O     16.90318016      7.80064986    -13.11368825
  H     16.64029683      6.87383204    -13.18791438
  H     13.53388923      9.93268611    -14.85534246
  O     12.59767028     11.61521137    -10.03255261
  H     16.13427120      8.26483908    -12.74525211
  H     16.69387937      9.78081488     -6.97311700
  O     16.77857278      9.62585221    -15.16981686
  H     12.91005408     10.90185770     -9.44548507
  H     16.79753469     10.14552689     -8.47055445
  O     11.49860423     10.06756284    -12.20501162
  H     12.09228249     12.21635565     -9.49205160
  H     14.33590048     11.81662772    -10.77164448
  O     15.65349456      5.36284347    -13.06745223
  H     16.42023165     10.40219588    -14.71722331
  H     15.10253790     10.65431702    -11.42208200
  O     18.59430991      8.78519387    -11.21376127
  H     16.91408400      8.94200950    -14.49608411
  H     17.70088066      7.68673905     -9.97130112
  O     20.63601977     10.13070316    -12.60124196
  H     11.78977963     10.60065073    -11.45675535
  H     16.78269104      7.96253989     -8.76701539
  O     17.54406269     10.98782233     -9.86182815
  H     12.01771464     10.36822902    -12.96630668
  H     15.35932402      4.65971931     -9.69782045
  O     11.35792891      7.38530568    -12.38778355
  H     15.50303774      5.29893837    -12.11579814
  H     15.94369498      6.07282175     -9.93070756
  O     14.18569669      8.60641497    -15.84468057
  H     14.81363282      5.63749225    -13.45707252
  H     14.13789941      9.46809247    -12.79591793
  O     13.22997815      6.35257690    -14.24036289
  H     19.38371573      9.15242010    -11.62891274
  H     14.18716714      8.54893052    -11.51643183
  O     13.36397113     10.57205549    -14.14660978
  H     18.05776828      8.40846679    -11.92826811
  H     19.01783316     11.73580042    -14.69393781
  O     16.33783078      9.57303268     -7.83372062
  H     20.20333980     10.31757782    -13.45425561
  H     18.52989583     10.34255911    -15.12752081
  O     15.18961341     11.58387755    -11.15419150
  H     21.54945946      9.93704451    -12.79286857
  H     18.62698604     13.09191401    -13.03253819
  O     17.05754032      7.27253313     -9.38185300
  H     17.88471126     10.22627061    -10.35665795
  H     18.54237009     14.22231869    -14.08611538
  O     15.26090938      5.44449876    -10.23055372
  H     16.73695208     11.29194062    -10.30385583
  H     12.57999018      7.23693670    -10.95597904
  O     14.71523311      9.08032267    -12.12477939
  H     11.35957617      8.35900480    -12.32758928
  H     13.89145755      6.65535200    -10.31571629
  O     19.31845392     10.83476624    -14.86482100
  H     10.44741528      7.11072753    -12.31649980
  H     19.89411659     11.71737327    -11.82483944
  O     18.26565585     13.32798906    -13.90572257
  H     15.12387524      8.82691974    -15.76682324
  H     18.76151099     12.10302157    -10.85661343
  O     13.30886969      7.42606395    -10.35333797
  H     14.03614068      7.80112583    -15.33719509
  H     15.62220594     11.96074823    -12.90011156
  O     19.32773594     12.45199237    -11.55528538
  H     12.57635746      6.72138664    -13.62829844
  H     16.58018037     12.53192966    -13.96485617
  O     15.79586191     11.98099456    -13.85183027
  H     12.74413281      5.80064222    -14.85148290
  H     14.49008968      9.56124174     -8.27411036
  O     13.57354789      9.56824429     -8.57407695
  H     14.08404486     11.21404471    -14.16851280
  H     13.44362992      8.75995162     -9.08891502
          69
 Energy    -248.67633696790642     
  O     15.60121363     10.49095768    -13.98447732
  H     14.93059061      9.81292726    -13.97267550
  H     17.04816658     12.07557433    -16.29255801
  O     18.72046237     15.01751623    -16.28243175
  H     15.94919924     10.54809324    -13.07729406
  H     18.99209060     10.05874005     -9.65801233
  O     21.39204843      9.26827230    -15.17955330
  H     19.47797067     14.56422688    -16.67195738
  H     18.07185164     10.15527819     -8.41566676
  O     19.28898024     13.03906305    -10.09854370
  H     18.97361251     15.25180376    -15.38023025
  H     20.87835422     16.33659726    -10.90759345
  O     20.34900628      9.40202764    -10.49211378
  H     22.16010617      8.71492360    -15.29716269
  H     20.77996907     17.79862466    -11.40852240
  O     16.53393973     11.01030358    -11.48138323
  H     21.67978428     10.03903762    -14.65848369
  H     20.85498545     12.27466486    -10.75558211
  O     20.03493583     10.99977878    -16.99440818
  H     18.69512798     13.32319242    -10.80648581
  H     22.39151037     12.45918299    -10.73210795
  O     21.83919097     14.13271934    -14.65768893
  H     18.89410215     12.25634900     -9.69337009
  H     21.36187599     13.62394759    -18.10639989
  O     21.02147185     15.18839500     -9.61055911
  H     20.97736340     10.12137718    -10.62952933
  H     20.64783528     12.61027057    -17.18104174
  O     21.86736919     11.53549071    -13.74523549
  H     20.05121214      9.12949571    -11.37310890
  H     22.50307747     16.05690395    -12.33106982
  O     15.48951623     13.40622901    -13.92725715
  H     17.04058982     10.71328172    -10.71654458
  H     22.89562697     14.98645444    -13.36554812
  O     17.43542869     11.24107430    -15.99586989
  H     16.79659521     11.92697362    -11.61856078
  H     19.92594890     15.95186639    -12.96839911
  O     18.24681704     10.54950660     -9.26540781
  H     19.09313583     10.95055338    -16.78225512
  H     18.88234003     14.80802735    -13.11566896
  O     20.87312751     16.89728606    -11.70453895
  H     20.47363787     10.32058669    -16.46810974
  H     23.46729256     14.42774069    -11.15014401
  O     21.68945511     11.86026974    -11.01563790
  H     21.66107897     13.98455211    -15.59492970
  H     24.37022627     13.96337508     -9.98123970
  O     20.96123602     13.53020472    -17.24630835
  H     21.02895588     14.50163756    -14.27562307
  H     20.02605657      8.86596408    -13.80483850
  O     23.19623540     15.42490737    -12.55866683
  H     20.36696269     14.47730122     -9.64334378
  H     19.06256510      9.87703749    -13.18551011
  O     19.53859538     15.32761447    -13.59575634
  H     21.88392255     14.76122775     -9.68077333
  H     18.62298311     11.62211351    -14.61567202
  O     23.48702663     13.89694277    -10.33335652
  H     21.85999178     11.58605238    -12.77865548
  H     20.00131436     11.69363313    -13.86805283
  O     19.41237019      8.98458106    -13.07100452
  H     21.98764062     12.43454824    -14.07955739
  H     15.89520364     14.14547015    -17.34999735
  O     19.04526415     11.74720555    -13.75600314
  H     15.69897385     13.64335269    -14.83978104
  H     17.19251289     14.27841427    -16.51514007
  O     16.36300350     13.77512546    -16.60679531
  H     15.33940532     12.45322326    -13.94097888
  H     18.21298407     12.89022690    -12.81209229
  O     17.70274366     13.56683024    -12.32964363
  H     16.80836180     10.85494814    -15.36964596
  H     16.87320185     13.68487047    -12.81582892
          69
 Energy    -248.67616202373438     
  O     11.66544902      3.38121112    -10.89582354
  H     11.66185937      3.63475925     -9.96521852
  H     17.75441597      5.41421449    -14.13031371
  O     17.95549358      4.58711796    -10.45976989
  H     11.41426918      4.18346594    -11.37069368
  H     10.55082917      7.91304312    -14.78256845
  O     14.53549305      8.44649008    -11.86954417
  H     17.33041041      3.89276509    -10.22189138
  H     12.06927967      7.72498740    -14.55126588
  O     15.40628798      9.98498103    -15.84246340
  H     17.95279519      4.65409280    -11.42359726
  H     14.27752016      5.47742529    -10.60342940
  O     18.10093365      7.15732274     -9.61735732
  H     14.42743464      7.48927304    -11.73763383
  H     14.48495261      5.17511082    -12.12570365
  O     14.55433431      4.90525397     -8.87586149
  H     14.16564077      8.85647375    -11.07978970
  H     13.25734293      2.61234744    -11.38653357
  O     15.99397957      2.64700765     -9.67737995
  H     16.23058022      9.56337673    -15.54321214
  H     14.45057736      2.79797448    -12.36525970
  O     13.70772168      8.34977956    -14.49320335
  H     15.66036286     10.81532631    -16.23454906
  H     13.41637872      9.82042776     -8.77854340
  O     11.85524981      4.57770187     -8.26805594
  H     18.06294100      6.21028241     -9.84450215
  H     14.23485097      8.52012568     -8.96635453
  O     17.58409454      8.61503721    -14.92247685
  H     18.93520310      7.29983116     -9.17798363
  H     12.08557308      7.73209570     -9.36569719
  O     17.35161248      5.92431741    -15.91982442
  H     15.04120277      4.08399874     -9.01817143
  H     11.29106109      6.78293083    -10.29903767
  O     17.66528931      5.31455746    -13.17475257
  H     13.66132049      4.68668042     -8.57809025
  H     16.33488624      8.19252583    -12.08149154
  O     11.21024485      7.26727726    -14.54148119
  H     16.22506744      1.81380033     -9.27632389
  H     17.61570899      7.78470640    -11.31160757
  O     14.12225556      5.81030114    -11.49616812
  H     15.33906669      2.45265582    -10.37324011
  H     15.19982640      6.56360222     -8.49438051
  O     14.14933675      2.29880543    -11.59547627
  H     13.97832085      8.46393761    -13.57131784
  H     16.41292311      7.45936302     -8.80525261
  O     13.49826248      9.04680360     -9.32961451
  H     14.21178083      8.98518605    -15.02262124
  H     12.36818592      5.93766376    -11.86365867
  O     11.43835164      7.01761735     -9.37226900
  H     11.65828749      5.47563377     -8.59299188
  H     11.26463382      6.42686701    -12.84282488
  O     17.25337949      7.91229291    -12.19715396
  H     11.30803243      4.43615329     -7.50073543
  H     14.87545532      4.66330264    -14.21481372
  O     15.51209185      7.47919870     -8.46296449
  H     17.58353664      8.47074205    -13.96704763
  H     16.08271830      4.41821339    -13.29385741
  O     11.40825420      5.99761266    -11.99348954
  H     17.61785565      7.73937447    -15.32519101
  H     11.64235311      5.71223534    -15.48542993
  O     15.16580528      4.15094097    -13.45000194
  H     17.61159007      5.57279631    -16.76748278
  H     11.64144523      4.17933320    -15.58741807
  O     12.05673432      4.96387759    -15.94041965
  H     16.37991391      5.90102728    -15.89322759
  H     14.38718025      6.77250716    -15.19837590
  O     14.61459785      5.91122705    -15.57441701
  H     17.50257993      6.20585527    -12.83056364
  H     13.78243851      5.51268308    -15.86561366
          69
 Energy    -248.67593049407986     
  O     14.04208990      3.22528898    -10.74839128
  H     13.98883387      2.28239114    -10.54758455
  H     16.75113525      7.05113265    -15.11653992
  O     12.36196514      3.74350289    -12.91828715
  H     13.49365153      3.36880772    -11.53408846
  H     15.87283468      9.96827451    -10.36784279
  O     16.61639618      3.25231088    -11.92444593
  H     11.76867867      4.37354148    -12.49130523
  H     14.82612208      9.10669079     -9.64308178
  O     18.32783754      6.77984774    -14.09015778
  H     12.88530539      4.24600691    -13.55624619
  H     14.64484409      7.51862249    -12.32481631
  O     12.01242858      7.33517280    -13.68680581
  H     17.06894271      4.09044969    -11.76611620
  H     14.36069635      6.32628316    -11.36689080
  O     12.69600467      0.94353925    -13.21169588
  H     15.76914144      3.30309691    -11.46084918
  H     13.59847399      4.83168220    -10.04319547
  O     13.97976172      0.43247911    -10.67584313
  H     19.07507594      6.28831191    -14.42178088
  H     12.47621017      5.85285444    -10.39388926
  O     17.89941823      9.47306887    -13.21431079
  H     18.11332686      6.40784185    -13.21801672
  H     14.08137695      0.66809086    -14.25998652
  O     17.74504973      9.99427974    -10.56384668
  H     12.58025118      6.75433449    -14.20554068
  H     14.78189575     -0.05784021    -15.43310957
  O     14.06348315      5.41181589    -14.46553248
  H     12.57690806      8.06173057    -13.38344770
  H     11.33067681      6.47328858    -12.34638392
  O     15.60851459      9.92694769    -14.84151201
  H     12.97149781      0.70110986    -12.31900246
  H     10.12350416      6.07062154    -11.46400051
  O     15.93038229      7.33963696    -15.53723098
  H     12.44151574      1.87489828    -13.17366583
  H     16.56963529      6.14263636    -11.86576059
  O     14.92274852      9.80760929    -10.29857120
  H     14.82228503      0.35900474    -11.16087825
  H     17.68823648      6.32818381    -10.82350058
  O     14.88887958      6.60437538    -12.12456899
  H     13.95128145     -0.29310141    -10.05883722
  H     16.10659904      3.29122751    -13.71658261
  O     13.32575471      5.75613109     -9.94395867
  H     18.15529432      8.59934401    -13.53282285
  H     15.47196058      2.37745624    -14.78244337
  O     14.92858042      0.56836148    -14.72958863
  H     17.15959330      9.75066553    -13.76817133
  H     16.56988304      1.37489737    -12.07700118
  O     11.04915658      5.89709064    -11.61219336
  H     18.33797668     10.71366764    -10.36397996
  H     15.93184089      0.40773757    -13.09670664
  O     17.48083680      5.88237733    -11.65640748
  H     17.83424186      9.81591192    -11.51693422
  H     14.26612562      6.90981422     -8.93570068
  O     15.71104449      3.29355071    -14.59884893
  H     14.64057003      4.65017741    -14.64497444
  H     14.57229336      7.57826557     -7.57978576
  O     16.23477745      0.47357673    -12.18208480
  H     14.37662069      5.81177586    -13.63780442
  H     17.73296614      8.30009808     -9.72619633
  O     14.83325078      7.56438929     -8.49789727
  H     15.68881648      9.01517453    -15.17801876
  H     16.70718478      7.40364158     -9.01376254
  O     17.59803587      7.40656275     -9.38347005
  H     15.47824549     10.49183901    -15.59812216
  H     14.47125375      9.52983205    -13.43146543
  O     13.92606391      9.13219720    -12.74142432
  H     15.27577112      6.65730500    -15.35511105
  H     14.20607296      9.49209754    -11.88552511
          69
 Energy    -248.67571389018070     
  O      9.54569249      7.32285060    -12.39857447
  H      9.86646787      6.40632082    -12.32452348
  H     14.94878379     11.12258062    -12.25310556
  O     14.72136979      7.56043618    -15.67494268
  H      8.70209820      7.35726397    -11.95624056
  H     16.50618582      9.35237464    -13.75022927
  O     17.50182136     10.89168127    -14.09191700
  H     15.17931322      7.90786724    -14.89233855
  H     16.78180435      7.86998204    -13.41128076
  O     12.49844472      9.04764687    -14.96595134
  H     15.28835471      7.76249274    -16.42799012
  H     11.58628402      5.11538556    -12.04905316
  O     15.39174167      5.33123360    -10.38296208
  H     16.76416247     11.34117876    -13.64616608
  H     10.85200445      4.60712833    -13.29495908
  O     14.05843591      5.18136555    -14.43669461
  H     18.21720839     10.81335833    -13.44404015
  H     18.15030843      7.97090916    -10.57820023
  O     14.60045425      9.45712701    -11.37817069
  H     12.75330409      9.97141121    -15.08138227
  H     19.60600815      7.52524219    -10.29740727
  O     15.90474123     11.00261682    -16.43807455
  H     13.23262870      8.51317344    -15.30058445
  H     10.98269074      4.14707348    -15.86576384
  O     16.52116302      4.83134174    -12.99192918
  H     15.15761357      4.67080079     -9.73569774
  H     11.02812936      5.55932513    -15.23546584
  O     16.63695674      8.44655823    -17.51884453
  H     14.57076946      5.57041100    -10.84850220
  H     19.33500955      9.58956474    -11.74433914
  O     18.59318905      8.58894464    -15.64561029
  H     14.29545682      5.95801425    -14.96440983
  H     19.96762496     10.98646797    -11.64178619
  O     15.21878007     11.78121606    -12.90646290
  H     13.19571610      4.88300102    -14.75123856
  H     18.66296412      7.11323208    -12.60231260
  O     16.07521975      8.52166450    -13.50929393
  H     13.67288235      9.22594385    -11.51175110
  H     17.77481998      6.04291381    -13.32353403
  O     10.71276991      4.85595133    -12.37265672
  H     15.08558582      9.05928897    -12.11991022
  H     15.84854003      8.51334269    -10.32046976
  O     19.05326939      7.95336126    -10.94570824
  H     16.56914272     11.06524620    -15.73941692
  H     16.14753390      7.01656260    -10.07434475
  O     11.38078581      4.65388835    -15.16309944
  H     16.10025984     10.19110097    -16.92048447
  H     13.18273317     12.41911338    -15.64451673
  O     19.42776919     10.43643310    -12.20486361
  H     16.21067776      4.90994319    -12.08179122
  H     14.36043039     11.42142540    -15.75152993
  O     18.29872887      6.84874203    -13.45543554
  H     15.73099199      4.80046540    -13.54549514
  H     12.90856238      6.89015287    -11.98143610
  O     16.53095011      7.90100270    -10.01723394
  H     17.39117305      8.43485804    -16.90164894
  H     13.56040603      5.73015039    -12.79053954
  O     13.54350415     11.62405792    -15.26037067
  H     16.98185936      8.22601152    -18.37955632
  H     11.18799781      8.24124758    -12.18488971
  O     13.25610376      5.99169906    -11.90883913
  H     18.60411656      7.90936869    -14.95628853
  H     12.25710138      8.73697501    -13.18884291
  O     12.11045958      8.51426646    -12.25746729
  H     18.46658145      9.42502270    -15.18588471
  H      9.96970577      7.31392340    -14.29027993
  O     10.40091393      7.19097251    -15.14464496
  H     14.54102357     11.78042738    -13.59283644
  H     11.05990997      7.89539093    -15.20918678
          69
 Ord_Energy   -248.675690    
 O  -0.364181787     -0.366834432      -2.96531153    
 H  -0.709066927      0.101084433      -3.73492980    
 H   0.345117003      0.168300673      -2.59269404    
 O   -4.17445183       2.00288367       3.38173890    
 H   -4.52022648       2.70996499       2.81555295    
 H   -3.37245226       2.34938741       3.78417373    
 O    1.62788045       1.13981044      -1.55904090    
 H    1.47631538      0.689327896     -0.707824349    
 H    2.55861068       1.05882275      -1.74910891    
 O   -1.64355564      0.976724148      -5.13973379    
 H   -1.52350414      0.880606592      -6.07989407    
 H   -2.52694082      0.617177725      -4.92997599    
 O  -0.706253290       5.75356150     -0.430558383    
 H  -0.395134032       4.90395689     -0.788758993    
 H   -2.10938994E-02   6.39315271     -0.607376218    
 O   -5.39436865       4.32250452      -1.09092426    
 H   -4.59397793       4.77817440      -1.40699685    
 H   -6.13864613       4.84094191      -1.38697791    
 O   -3.54553056      0.254443765     -0.215792954    
 H   -3.93165207      -3.40529718E-02  0.620409548    
 H   -3.02880597     -0.478112131     -0.579660833    
 O   -1.67528272       3.28642368       4.20052052    
 H   -1.60757625       3.85281610       4.96506357    
 H   -1.75652456       3.87097836       3.42809701    
 O   -4.47415161       1.89639354      -2.20974231    
 H   -4.23727131       1.29381716      -1.48915958    
 H   -4.91765976       2.65655613      -1.81554186    
 O   -1.98816562      -1.76051378      -1.30303180    
 H   -1.39686036      -1.28926480      -1.91322803    
 H   -1.44355762      -2.12563944     -0.596575856    
 O   -2.03366756       4.59801149       1.79323339    
 H   -2.02964282       3.72111058       1.37306678    
 H   -1.57671809       5.17714357       1.17434490    
 O  -0.135597542       3.28085160      -1.48059452    
 H  -0.786789536       3.15070748      -2.18715978    
 H   0.543316364       2.59886694      -1.55773962    
 O  -0.460791439       1.15086722       2.74564457    
 H  -0.897841215       1.46270001       1.93649638    
 H  -0.697803259       1.79659939       3.41950178    
 O    1.13981414     -0.122020133      0.776264489    
 H   0.709072888     -0.984863341      0.744893968    
 H   0.764960527      0.332511842       1.54114032    
 O   -4.05971384       9.81881022E-02  -4.36331558    
 H   -4.38221025      0.701065361      -3.68153143    
 H   -4.10764599     -0.792437851      -3.98797679    
 O  -0.382803231      -2.55179811      0.858704627    
 H   -4.65486608E-02  -3.39136100       1.15978312    
 H  -0.914539814      -2.18265438       1.58827770    
 O   -4.82384968       4.10347605       1.71204627    
 H   -5.08800650       4.13481331      0.785599649    
 H   -3.93136430       4.47202730       1.74143016    
 O   -3.99329948      -2.38995886      -3.11373019    
 H   -3.29411340      -2.27493978      -2.45101333    
 H   -4.07046556      -3.33017015      -3.25362492    
 O   -2.16835141       3.00980282      -3.29852271    
 H   -2.95608497       2.60884070      -2.90080786    
 H   -1.92475152       2.44248390      -4.03968191    
 O   -4.44984674     -0.445583045       2.33531570    
 H   -4.37485886      0.434235901       2.75031710    
 H   -5.27442694     -0.820943534       2.63093519    
 O   -1.79049182      -1.32864189       2.79303241    
 H   -1.33214140     -0.485104054       2.90997076    
 H   -2.72550845      -1.11433661       2.69264579    
 O   -3.07464886       5.38507557      -2.04439759    
 H   -2.33491874       5.64540863      -1.48442769    
 H   -2.73487163       4.69435740      -2.62937903    
 O   -1.73127091       2.18410015      0.542420387    
 H   -2.37861276       1.53663528      0.235300928    
 H   -1.18502748       2.46098709     -0.202719584    
          69
 Energy    -248.67563927830656     
  O     19.52739027      9.38219243    -14.77748407
  H     19.73572147      8.44229225    -14.85356868
  H     18.57634510      3.55679629    -13.88639812
  O     20.76580613      5.98070986    -11.99937053
  H     18.72120649      9.52469133    -15.28716370
  H     15.89715302      9.81590087    -13.39873006
  O     15.97369290      8.55259152     -9.82857994
  H     20.85570764      6.81971939    -11.51796285
  H     15.78203706      9.78961230    -14.94120282
  O     13.16928733     10.90787195    -12.68526046
  H     20.61975399      6.22435317    -12.91811826
  H     17.38300515      7.91387780    -12.69075584
  O     17.05031565      9.56422985    -16.28617788
  H     15.57528767      7.76581352    -10.22755877
  H     17.76222285      6.51752063    -12.11062627
  O     11.70109949      8.44390392    -12.66892091
  H     15.24913850      9.18889767     -9.73552368
  H     14.52901654      6.60261028    -14.16701743
  O     18.41607196      5.63014694    -10.61650261
  H     13.88690146     10.59490880    -13.25971955
  H     14.45752352      8.13527865    -13.91958313
  O     14.46920182      6.53222647    -11.03808457
  H     12.95191183     11.78994054    -12.97747391
  H     17.52445925      8.13108421     -9.08276934
  O     16.10853377      4.21434934    -11.19092618
  H     17.13063633      8.60720436    -16.45102781
  H     18.42859814      7.84305786     -7.86275313
  O     16.76934221      3.08053704    -13.54989402
  H     17.05892748      9.98876446    -17.14048451
  H     13.53010851     10.41587951    -10.83344683
  O     19.58828959      6.54871651    -14.69020318
  H     12.02191429      9.35341877    -12.70931208
  H     13.06726758      9.29977885     -9.88045355
  O     19.47247322      3.87535233    -14.06081752
  H     12.36580527      7.92329189    -13.14232589
  H     19.90270476      8.28709217     -9.95642437
  O     15.25949129      9.80750166    -14.13055210
  H     18.44281678      6.28435787     -9.90836665
  H     20.35123263      9.12871064    -11.16924673
  O     17.51311566      6.98590314    -12.91784867
  H     19.28634679      5.63627285    -11.04286442
  H     20.16135067     11.33099798    -12.36029882
  O     14.02675457      7.29431730    -13.71611399
  H     14.36594036      6.78016191    -11.96761765
  H     19.71314681     10.12368898    -13.22112074
  O     18.40603874      7.82080998     -8.81638954
  H     13.64089413      6.77291449    -10.60391738
  H     16.44874601      6.05751085    -14.02312256
  O     13.68837318     10.03546511     -9.96118938
  H     15.45691508      4.92108386    -11.10299510
  H     16.10132533      4.61276307    -14.43055630
  O     20.59363629      8.37047077    -10.62424643
  H     16.94185261      4.58729996    -10.86927584
  H     18.28339270      6.72113164    -16.15360399
  O     19.71169987     10.49129548    -12.31828791
  H     16.44122466      2.18688969    -13.60241577
  H     16.79757444      6.35890828    -16.07507998
  O     15.92140070      5.53388517    -14.64930599
  H     16.49939386      3.42969545    -12.68062007
  H     11.25375043      7.37813787     -9.66476757
  O     17.42937295      6.90533904    -16.56225049
  H     18.86991160      6.77542769    -14.07629508
  H     11.81029002      7.91337280    -11.00710572
  O     12.05255148      7.67018269    -10.09492075
  H     19.63543729      5.58117931    -14.67428083
  H     17.95675353     10.01214389    -12.05419470
  O     17.07329470      9.63015259    -12.12442560
  H     19.92672231      3.87523445    -13.21636802
  H     16.75952406      9.36868372    -11.24869568
          69
 Energy    -248.67559364022350     
  O     -3.90374044     -0.54444507      2.58539944
  H     -4.30395865      0.11430952      1.99537764
  H     -2.99916104      3.38098535     -0.34235464
  O      0.23550729      2.74618394      3.55796011
  H     -3.59467968     -0.04910517      3.35330289
  H     -7.72558274      2.21729814      1.72555468
  O     -1.70117531     -1.42596178      1.17928219
  H     -0.61919576      3.18254102      3.44135473
  H     -7.63718837      2.19941867      0.17133251
  O     -4.97147126      1.21289836     -1.79636976
  H      0.08807723      2.04957620      4.20909434
  H      2.17792330      1.87069510      1.20271721
  O     -2.68433221     -0.22953985     -2.22128290
  H     -2.07601796     -1.98581570      0.48934143
  H      0.94489388      2.04565954      2.11973941
  O     -4.86458739      1.43241141      0.97122533
  H     -2.44301230     -1.13033063      1.72807444
  H     -4.84640502      1.79075417      4.50622329
  O     -7.79255016      0.92110116      3.13666947
  H     -4.21120564      0.69600861     -2.09962741
  H     -5.49819751      3.09235110      4.00027394
  O     -7.70796421      0.95727251     -1.12330334
  H     -4.96653485      1.14291056     -0.83000278
  H     -3.18306506      4.11142324      3.27117384
  O     -3.01935367      1.24528200      4.51609286
  H     -1.98513774      0.17413581     -1.69268387
  H     -2.39919756      3.41939685      2.13313837
  O     -4.27403608      3.88065155     -1.63448359
  H     -2.84188226     -1.10197448     -1.83766235
  H     -5.17322150      5.62670310      3.75189097
  O     -3.20002588     -2.69260599     -0.84449714
  H     -5.66867516      1.95623632      1.06279825
  H     -5.15497407      4.85831595      2.41065916
  O     -2.59673027      2.96996371      0.43169884
  H     -4.11660854      2.03991063      0.88547467
  H     -6.13070245     -1.91125440      0.84445767
  O     -7.42538142      2.72100820      0.96130040
  H     -7.00621379      1.31328360      3.55784340
  H     -4.80907929     -1.84232198      1.61822993
  O      1.29721187      1.54291955      1.36337703
  H     -8.48306839      0.94426207      3.79471349
  H      0.04404819      0.04366656      5.88671797
  O     -5.69515372      2.18917380      4.27718557
  H     -6.84764802      0.96672166     -1.56387103
  H     -0.10089187     -0.08724255      4.35244092
  O     -2.39913875      3.57979902      3.08908797
  H     -7.70446715      0.19361140     -0.53276968
  H      0.86881589     -0.09467064      2.31651729
  O     -4.91390842      4.80045106      3.35242567
  H     -2.79421974      2.03766442      4.00636220
  H     -0.24469333     -1.15769609      2.28732829
  O     -5.25084938     -2.30111654      0.88985218
  H     -2.18448696      0.91002374      4.86520282
  H     -8.56818032     -1.48274277      1.14552481
  O     -0.40292567      0.41470912      5.13087090
  H     -4.19555352      4.30636186     -2.48432271
  H     -7.72942285     -0.35912369      1.78657824
  O      0.44820064     -0.78172224      2.84734617
  H     -4.57267459      2.97125521     -1.80463949
  H     -1.21444414      0.07553486      0.27868702
  O     -7.77044139     -0.96893462      1.03387794
  H     -3.22319252     -3.57885833     -1.19525113
  H     -0.10107582      1.14034651      0.19345806
  O     -0.93684356      0.86700003     -0.20575008
  H     -3.99543269     -2.58856277     -0.29177165
  H     -5.20632548      4.62909172     -0.07692326
  O     -5.66495076      4.81497895      0.74875432
  H     -2.01007189      2.25910808      0.13440900
  H     -6.41017772      4.19573870      0.78390344
          69
 Ord_Energy   -248.675507    
 O   -8.06466198       1.24180722       5.41185999    
 H   -8.03262520       1.65075326       4.53698778    
 H   -7.63530350       1.86867297       6.00684500    
 O   -8.31225204      0.134443253      -1.75061774    
 H   -8.51547241     -0.425034076     -0.981147826    
 H   -8.60845661     -0.339205533      -2.52350616    
 O   -7.30170059      -3.11617208       1.86810732    
 H   -6.34911776      -3.03714085       1.73581946    
 H   -7.45608234      -3.12675953       2.82028341    
 O   -10.9831114     -0.421703309       2.04001069    
 H   -10.6075401     -0.559290767       2.92866898    
 H   -11.8993979     -0.681971788       2.08422375    
 O   -7.73479366       2.43735218       2.86098886    
 H   -7.35935450       1.63195741       2.46973419    
 H   -8.65408134       2.50372577       2.55631495    
 O   -6.72082233      0.234981522       1.67694438    
 H   -6.23705912      0.484561265      0.879035890    
 H   -7.45690489     -0.319205403       1.38780904    
 O   -6.33684587       3.00697160       6.83282471    
 H   -5.70407200       2.28730369       7.00946760    
 H   -6.40897465       3.51716709       7.63478899    
 O   -4.64219284      0.899865687       7.02816868    
 H   -4.07954931       1.03441274       6.25275326    
 H   -5.16234827      0.111011773       6.83295155    
 O   -9.10739803       2.72340465     -0.780197680    
 H   -8.26219273       3.15312672     -0.607408166    
 H   -8.89433861       1.87755823      -1.19341350    
 O   -6.41181469      -1.01023042       5.79949284    
 H   -5.83903170      -1.01162815       5.01534367    
 H   -6.99841404     -0.246219471       5.70460987    
 O   -4.24675894       4.29417706       1.82522893    
 H   -3.75359249       5.10773087       1.90377367    
 H   -4.62326336       4.11146879       2.70162058    
 O   -4.43831873      -2.73555803       1.49756372    
 H   -4.18084621      -1.94875419      0.981172085    
 H   -3.81348872      -3.42069960       1.27681744    
 O   -5.51530361       3.46490192       4.15417051    
 H   -5.74150181       3.48973799       5.09179974    
 H   -6.31706476       3.17352605       3.69474268    
 O   -8.78825855      -1.27858102      0.536492169    
 H   -9.59091568      -1.06143486       1.02775204    
 H   -8.35809803      -2.04435754      0.948805332    
 O   -4.97213125     -0.874553859       3.48535204    
 H   -4.61522388      -1.61563647       2.98269105    
 H   -5.60230446     -0.448678046       2.88426971    
 O   -7.94145727      -2.99679446       4.68488789    
 H   -7.36503124      -2.38732719       5.17514801    
 H   -8.08024311      -3.75506115       5.24771786    
 O   -2.84040046       1.72066355       1.71250796    
 H   -2.86948633       1.57537496       2.66614819    
 H   -3.23089957       2.59106803       1.58243620    
 O   -6.54063416       3.47687864      0.390165418    
 H   -5.72455549       3.86983228      0.725320101    
 H   -7.04054070       3.22491479       1.17601395    
 O   -3.73627782     -0.459854007      0.213562682    
 H   -3.31843996      0.243028373      0.732067525    
 H   -4.35658979      -4.23981017E-03 -0.368958235    
 O   -10.1739626       2.33146429       1.75777555    
 H   -9.94529819       2.49290609      0.829740286    
 H   -10.5439625       1.44294775       1.80324936    
 O   -5.80996943       1.06342542     -0.861800134    
 H   -5.99206829       1.96386647     -0.560550272    
 H   -6.60948181      0.744138479      -1.30003119    
 O   -3.60167241       1.34620821       4.43744183    
 H   -4.01473284      0.539887965       4.09178352    
 H   -4.24185991       2.05956554       4.31147575    
 O   -9.78727818     -0.815725625       4.41999531    
 H   -9.32535076     -0.104026020       4.87877989    
 H   -9.23685741      -1.60334933       4.50558567    
          69
 Ord_Energy   -248.675232    
 O   -3.27305293      0.394514143       3.99743485    
 H   -4.02511311      0.741976440       4.48689842    
 H   -3.65117097      -3.20051089E-02   3.21145201    
 O   -3.81638360       3.43022656       1.26995373    
 H   -4.13120890       4.08995867      0.639539957    
 H   -4.57943344       3.17549515       1.80916500    
 O   -7.28886843      -1.09463108       2.06086087    
 H   -7.35848379      -1.86670387       1.47894168    
 H   -7.56257963     -0.311467528       1.56530142    
 O   -6.86986113      -1.33482206       4.71041727    
 H   -7.08935738      -1.27766252       3.76249766    
 H   -7.58039522      -1.81490171       5.12909937    
 O   -1.62335956       2.10665846       2.51940918    
 H   -2.27431583       2.72466040       2.16361117    
 H   -2.10402465       1.55120575       3.14965868    
 O   -5.46790123      -2.25808764      -1.70913804    
 H   -5.25500631      -2.73583961      -2.50747895    
 H   -4.77400780      -2.47424364      -1.06281817    
 O   -1.21925664      -2.22259641       1.51126850    
 H   -1.05819905      -1.33495283       1.16996491    
 H   -1.93869746      -2.58041668      0.977123141    
 O   -5.82470369       1.20771670       5.02041626    
 H   -5.99763155       1.54160559       5.89780474    
 H   -6.19609404      0.311385602       4.98278093    
 O   -5.84139872      0.548663795      -1.49316990    
 H   -5.81631470     -0.398574859      -1.67098618    
 H   -4.96269417      0.780324459      -1.15249527    
 O   -8.87793159       3.44763541     -0.383452415    
 H   -9.75608063       3.80421829     -0.481969684    
 H   -8.39443207       4.04154634      0.219063595    
 O   -3.51299095       1.11632299     -0.211381823    
 H   -3.58699298       1.96117413      0.255665213    
 H   -2.59630823      0.825969934     -0.123809181    
 O   -6.13965511       2.65585017       2.58479834    
 H   -6.60586834       2.08759260       1.95582414    
 H   -6.07189608       2.18127275       3.42087340    
 O   -2.35491681      -2.29473329       4.08512402    
 H   -2.51301575      -1.35859597       4.25549746    
 H   -1.86768997      -2.32809210       3.24954081    
 O   -4.87316942      -3.38844705       3.98047018    
 H   -5.44830561      -2.69757223       4.31792402    
 H   -3.96399236      -3.05766344       4.05985689    
 O   -7.25904799       4.89331532       1.24965191    
 H   -6.90984201       4.24582767       1.87676823    
 H   -6.51619673       5.13332939      0.681176245    
 O   -5.24372387      -4.80215931       1.73331428    
 H   -5.12445736      -5.72807264       1.92413306    
 H   -5.12932205      -4.32493973       2.57678723    
 O   -7.20307159      -3.23743200      0.391661108    
 H   -6.74842834      -2.95648336     -0.411096543    
 H   -6.61357498      -3.86829948      0.827115536    
 O   -7.53848171       1.19981313      0.612769842    
 H   -8.13691425       1.88581777      0.293577105    
 H   -6.96911144      0.954545200     -0.131242737    
 O  -0.884513795      0.461058766      0.499745160    
 H   -2.45316606E-02  0.687757015      0.155449957    
 H   -1.04724872       1.05091834       1.25858200    
 O   -5.08059549       5.09192276     -0.607764184    
 H   -4.78982496       5.80152941      -1.17427349    
 H   -5.53646278       4.44623804      -1.17663145    
 O   -3.73381400      -2.89299560      0.334834486    
 H   -3.92540097      -2.13293242      0.906931698    
 H   -4.13674212      -3.65778065      0.766517460    
 O   -6.52252197       3.26416516      -2.02797318    
 H   -7.40205860       3.32082415      -1.63397503    
 H   -6.29151917       2.32678866      -2.03051877    
 O   -4.50356579     -0.630264997       1.73663497    
 H   -4.28940296       1.53644104E-02   1.05006886    
 H   -5.46018696     -0.742312491       1.78898335    
          69
 Energy    -248.67502711543173     
  O     11.63107855     10.37901899    -13.60389426
  H     11.42592587      9.49279742    -13.28239203
  H     19.53258755     12.73472764    -14.92311579
  O     17.55810600      7.98226626    -13.71334199
  H     12.41504422     10.65670275    -13.11251228
  H     14.35857429     12.03310319    -14.13277923
  O     16.48612116     11.86440195    -11.43348334
  H     16.71689832      8.41937080    -13.92795028
  H     13.73115946     12.14839883    -15.52217875
  O     12.58144682      6.75418357    -14.92709083
  H     17.70802507      7.37070859    -14.44451458
  H     15.85264574      9.88161989    -15.01719352
  O     15.22357666      8.86487532     -8.70869522
  H     16.52032104     11.75954965    -10.47456871
  H     14.66507514      8.90200117    -15.07785724
  O     16.02210010      6.78007141    -11.74607180
  H     17.17494849     11.29247970    -11.80321141
  H     12.27389363      7.90137406    -11.92366660
  O     14.21834493     10.83550741    -12.56602334
  H     13.38280579      6.27180922    -14.67152813
  H     10.83975287      7.32798246    -11.90985753
  O     16.25592365      8.46765269    -17.44160583
  H     12.14962786      7.02178591    -14.10947972
  H     18.77374831      9.71184558    -10.76557310
  O     17.37903244      7.07882204     -9.30345851
  H     14.60332833      8.70551554     -9.43072990
  H     18.12621203     10.08271546     -9.41499598
  O     16.67895392     11.03384326    -16.11762525
  H     15.89096125      8.17039675     -8.77980998
  H     15.32311828      5.86201164    -13.31906145
  O     17.23981973      6.38474755    -15.96741928
  H     16.65248807      7.16659000    -12.37049273
  H     15.74608392      5.81425685    -14.80340300
  O     18.79908881     12.20167965    -14.62786668
  H     16.47907358      6.73399909    -10.89714444
  H     15.92537219     13.48716007    -14.12935894
  O     14.47835210     12.45581322    -14.99241771
  H     14.59774767     10.23614888    -13.23321011
  H     16.59768506     13.19795618    -12.76640727
  O     15.30661883      9.29464871    -14.47256383
  H     14.95377690     11.24241501    -12.08727890
  H     18.28122212      9.45216986    -12.96561069
  O     11.47890279      7.76764638    -12.46525812
  H     15.29557466      8.45821423    -17.31215405
  H     18.76984878     10.89891664    -13.25444254
  O     18.66221777      9.41124876     -9.85466960
  H     16.53418475      9.36011588    -17.20745132
  H     16.08726407     10.38189151     -8.68008958
  O     15.01333383      5.63376296    -14.20331219
  H     17.91943567      6.51059888     -8.76137066
  H     16.61706849     11.61077364     -7.90095354
  O     16.72884058     13.63860511    -13.61783079
  H     17.91522612      7.86527696     -9.51132131
  H     13.12418409      7.92922660    -16.09316799
  O     18.51517651     10.29373244    -12.54760330
  H     15.96044772     11.63998069    -15.88911724
  H     13.08554267      9.43171951    -16.54367622
  O     16.66326903     11.16509627     -8.74230188
  H     17.48248527     11.38922249    -15.71825392
  H     13.97201103      9.25499190    -11.55009892
  O     13.60424844      8.62069062    -16.57823233
  H     17.64679905      5.74452711    -16.54477631
  H     14.56277098      7.81553253    -11.41936221
  O     13.82884425      8.38848506    -11.14951362
  H     16.90921923      7.10170977    -16.53717432
  H     11.48648643     11.43015213    -16.62061212
  O     12.24615320     11.11307344    -16.13884717
  H     18.12518990     12.81341170    -14.27949013
  H     11.92838667     10.84498620    -15.25724800
          69
 Energy    -248.67498523118371     
  O      0.39780980     -0.81767797      5.56679089
  H      0.14329194      0.08570538      5.33258906
  H     -5.33884448     -1.23855789      2.53321520
  O      2.10042282     -0.64803201     -2.22398160
  H     -0.42134927     -1.27049197      5.79776094
  H      0.12397556      2.09973841      1.72999333
  O     -2.17305311     -2.08951100      6.17145057
  H      2.05349263     -0.40414857     -3.14518914
  H     -1.34649567      2.05090478      1.30374034
  O     -0.11826665      0.02019416     -0.68130919
  H      1.26788624     -0.35822782     -1.81710971
  H     -3.36966477     -0.79038380      5.59610080
  O      2.08549291     -3.18771210     -0.83129689
  H     -2.39747041     -2.68623547      5.43434044
  H     -3.67547267      0.72134382      5.35276852
  O      3.56200333     -2.32496932      1.49399645
  H     -2.21803787     -2.61245527      6.96806418
  H     -2.80559852     -0.43896727      3.53625069
  O     -3.25401144      3.39418914      2.98715353
  H      0.42124472      0.24676623      0.09166210
  H     -1.41931293      0.20813609      3.45069230
  O     -4.80110205     -2.96954505      2.03096208
  H     -1.01004111      0.33229339     -0.48686314
  H     -0.46691785     -1.78551971     -0.55414639
  O     -0.62350160      1.56279443      4.50509081
  H      2.20417437     -2.42502381     -1.41098324
  H      0.27528914     -3.12342992     -0.60304842
  O      3.61640904      0.16206785      0.07965093
  H      2.61113687     -2.99912901     -0.04422324
  H      0.80726136     -2.06929308      2.85226121
  O     -4.95731944      1.84264173      1.29125572
  H      4.24506084     -2.80000454      1.96099629
  H      1.30798535     -1.29280541      4.08529347
  O     -5.46510655     -0.32349954      2.81195331
  H      2.90151798     -2.06562237      2.15809597
  H     -3.29995288      3.16132178      6.16619917
  O     -0.72757779      2.54719167      1.85239442
  H     -3.87282982      2.94137454      2.40032508
  H     -3.22460691      2.87264706      4.64506850
  O     -3.91703443     -0.17609365      5.08948158
  H     -2.38380457      3.32982152      2.57600441
  H      1.39888241      0.05389652      2.17757792
  O     -2.02754003     -0.36795061      2.97056161
  H     -5.41481048     -3.63356259      1.72583193
  H      2.22580441      0.74288285      1.06145834
  O     -0.59731438     -2.73741190     -0.44087221
  H     -4.26524348     -2.71250455      1.26004126
  H     -3.55298519     -3.43403653      3.42350133
  O      1.53834978     -1.52176962      3.17404011
  H     -0.55715620      2.05194089      3.67508534
  H     -2.02012892     -3.53371773      3.43964147
  O     -3.09052992      2.48405386      5.52880075
  H     -1.38873986      1.91763335      4.97601341
  H     -0.72002107     -2.86061112      1.36994382
  O      1.38167575      0.77600008      1.53618745
  H      3.75659323     -0.68271391      0.52812310
  H     -1.24047199     -1.94978667      2.52425163
  O     -2.80211907     -3.59561123      4.00649741
  H      3.26938786     -0.05952865     -0.79316747
  H     -3.16792557     -1.14009880     -0.03543064
  O     -0.75449753     -2.76661862      2.33052420
  H     -5.75822584      2.14868644      0.87462909
  H     -2.45242773     -2.47696376     -0.30409801
  O     -3.30805138     -2.09179174     -0.07101480
  H     -5.19742466      1.07072137      1.83687208
  H     -2.37340960      0.27109308      1.36142633
  O     -2.55688810      0.69311288      0.50455236
  H     -5.09916633     -0.26644219      3.70575529
  H     -3.40684659      1.14188923      0.59774982
          69
 Energy    -248.67484820466896     
  O     14.48959358      8.98343848     -9.96480560
  H     13.52752592      9.02607156     -9.96418554
  H     15.28745298      6.64996523    -17.27132853
  O     15.78580319      8.37059175    -14.61443299
  H     14.78360885      9.68052820    -10.56602372
  H     13.61696446     10.79406764    -14.51807855
  O     17.46055237      9.29291043    -17.50535250
  H     16.71445985      8.11409593    -14.56104231
  H     12.41857839     10.13349127    -15.24824939
  O     12.06701684      9.04244971    -16.75608744
  H     15.30689636      7.78561110    -14.01520840
  H     15.55013530     10.09684010    -14.46337520
  O     17.83849963      9.84275468    -11.39687875
  H     17.88170538      8.43926978    -17.35424163
  H     16.15186132     11.41703114    -14.97060907
  O     17.10548082      7.09466226    -11.68518607
  H     16.51705816      9.10093552    -17.59761941
  H     17.75163062      8.73821737     -8.66258516
  O     15.37760806     11.07036105    -11.68088842
  H     11.94791120      8.20168397    -16.27729402
  H     18.28575629      9.96653495     -7.90918853
  O     11.88374971      6.80957685    -15.23686508
  H     11.33952953      9.11799440    -17.36768827
  H     18.18420431     12.18994595    -16.42551762
  O     18.40871964      7.42192221    -14.16668921
  H     17.56095024      8.93649112    -11.58792437
  H     17.70086270     10.72480582    -16.52209832
  O     14.04200435      4.92313615    -15.03898482
  H     18.16592349      9.83740293    -10.48696593
  H     15.70345370      7.98223189     -9.27213124
  O     14.62746330      6.57873338    -12.84952225
  H     17.02466643      7.05717819    -10.72521335
  H     16.07106463      6.77930108     -8.36518233
  O     15.66977346      5.79848165    -17.01747481
  H     16.22655656      6.88076320    -12.03218865
  H     13.87944808      8.71995451    -17.18354100
  O     12.70352385     10.49470883    -14.40043871
  H     16.27741720     10.77391819    -11.48549774
  H     15.11130559      8.41940421    -16.29237034
  O     15.41316451     11.05845995    -14.46651853
  H     15.36111568     11.17152048    -12.64256215
  H     18.47259763      6.83748979    -15.82221376
  O     18.39487038      9.46192398     -8.71209515
  H     12.55205606      6.11473088    -15.24891904
  H     19.21806271      6.23416450    -17.03368178
  O     17.77874902     11.48863263    -15.92255841
  H     11.90097832      7.18031541    -14.34353553
  H     18.76785423     10.14908689    -13.00571593
  O     16.44520548      7.44345055     -8.93720680
  H     18.11641527      7.15044366    -13.28798675
  H     18.72688250     10.60402894    -14.49394361
  O     14.80413396      8.45268099    -17.21275828
  H     18.80450303      8.30586429    -14.08666809
  H     12.02484220      8.45667854    -11.96965534
  O     18.39663610      6.64278049    -16.77234187
  H     14.65146898      5.19288991    -15.74909766
  H     12.51970819      8.98505204    -13.33777290
  O     19.16344335     10.00579878    -13.87674737
  H     13.92027279      3.98141836    -15.12639238
  H     13.53398713     11.55034150    -11.60634100
  O     12.35672962      8.17671782    -12.83034653
  H     13.82502577      7.09960539    -12.70315375
  H     12.46034516     11.35035607    -12.69045957
  O     12.57778729     11.54050178    -11.75057920
  H     14.42925383      5.91188812    -13.52086710
  H     10.92654161      9.55226872     -9.83606236
  O     11.69454017      9.38346594    -10.37405041
  H     16.62043836      5.95266212    -16.96622383
  H     11.92897748     10.22685838    -10.80443398
          69
 Energy    -248.67482495664046     
  O     15.68484629     10.82581911    -15.83490762
  H     16.49175600     11.13786768    -16.28835264
  H     18.76332530     11.24127749    -16.68379899
  O     18.93384702     14.25494919    -17.02869356
  H     15.13699771     10.41505311    -16.49765859
  H     16.86149974     11.24275527    -10.40005331
  O     21.87324716      9.16167838    -14.19948858
  H     19.82933967     13.97192970    -17.25312630
  H     17.02909364     11.10184041     -8.86724594
  O     18.77422712     13.76853446    -10.48284507
  H     19.02375430     14.76436767    -16.21365819
  H     20.20007509     17.01524502    -11.83908979
  O     19.78285468     10.39276205    -10.95242299
  H     21.10533092      8.79480225    -13.72751323
  H     20.09444454     18.35444236    -12.60644894
  O     15.91548509     10.94725670    -11.82033014
  H     22.53181573      8.47270976    -14.22310611
  H     20.47310282     13.06488437    -10.70747135
  O     20.43949767     10.94087981    -15.81877149
  H     18.29991360     13.04708157    -10.05387170
  H     21.97850056     13.35829482    -10.56239676
  O     21.96442524     14.07134706    -14.67813619
  H     18.35870621     13.88906625    -11.35020288
  H     17.92012114     10.21970729    -13.78188383
  O     20.24694918     16.15430079    -10.31677808
  H     19.00576539     10.63647033    -10.43312995
  H     16.68775553      9.73787125    -14.56670399
  O     22.53875210     11.84423772    -13.20796556
  H     20.47075079     11.03938130    -10.74210344
  H     21.18273084     12.24083443    -16.78491126
  O     15.29334144     12.82957147    -13.94849040
  H     16.32088744     10.29556184    -12.40813953
  H     22.02264246     12.70735957    -17.99827213
  O     17.94228138     11.67293442    -16.94670865
  H     15.60249016     11.64881007    -12.40124081
  H     22.04078083     16.63796110    -12.91014851
  O     17.47523932     11.39184259     -9.65818582
  H     20.99838697     10.23018265    -15.48424662
  H     22.63783725     15.38196283    -13.57358227
  O     20.27058209     17.42457380    -12.72029162
  H     19.99990189     11.29464600    -15.02916939
  H     20.34146999     14.87185664    -14.50739128
  O     21.34800643     12.65319356    -10.75466485
  H     21.97171088     13.82809289    -15.61044883
  H     19.69040918     16.16306121    -13.95537111
  O     17.26911631      9.50157018    -13.83579832
  H     22.17692893     13.26920335    -14.17559052
  H     22.93027316     15.34200440    -11.29670966
  O     21.52854706     13.02449727    -17.24712632
  H     21.13897192     15.80968805    -10.18607181
  H     23.69387207     15.19193822     -9.95980459
  O     22.80010902     16.04385452    -12.88671706
  H     19.65574484     15.39221849    -10.25321232
  H     18.80856836      8.46050206    -13.19923678
  O     19.51022260     15.36923898    -14.47424811
  H     22.32748257     10.93495717    -13.44441281
  H     19.73687828      8.89235513    -12.04745003
  O     22.87327345     14.97773930    -10.39467498
  H     22.13566031     12.02389597    -12.34879936
  H     19.41303613     11.20566561    -12.63462136
  O     19.68156600      8.30828751    -12.81788082
  H     14.47329173     13.27994060    -14.13714252
  H     18.63968700     12.37803422    -13.30958438
  O     19.10805362     11.55207934    -13.48210569
  H     15.39936030     12.14854472    -14.63209382
  H     16.88560705     13.68696209    -13.42235650
  O     17.72748179     13.90865248    -13.00931940
  H     18.15564858     12.61465824    -17.02070306
  H     18.24904912     14.47081735    -13.60157393
          69
 Energy    -248.67478805586282     
  O     12.05436488     10.91631465    -15.34429536
  H     11.57956235     10.53707485    -14.59486454
  H     18.70354736      9.41338829    -14.25980479
  O     15.54647671      6.58577506    -13.29235869
  H     12.60698234     11.62844602    -15.00210019
  H     16.32274209     11.64437073    -16.05963679
  O     16.92410603     10.46174712    -11.31970260
  H     16.30193677      6.91008781    -12.78321114
  H     17.03955275     12.03646401    -14.75821094
  O     12.92101635      6.42311073    -16.41405906
  H     14.77767353      6.58119997    -12.70626855
  H     15.17496437      8.19806735    -14.06337539
  O     13.82116269      8.96411102     -8.74876013
  H     16.82073569     10.34504713    -10.36718362
  H     14.35840968      9.02196342    -15.11380549
  O     13.31967580      6.80646556    -11.67141526
  H     16.05135684     10.69639636    -11.67055126
  H      9.71838507      9.47072918    -13.25726931
  O     14.51063720     10.97527220    -12.49985946
  H     12.56682614      5.75083848    -16.99024813
  H     10.96865494      8.61324640    -13.56795942
  O     16.13113936      9.88164390    -16.74944226
  H     13.86826080      6.22437976    -16.30242694
  H     17.25461765      7.16670678    -10.24742878
  O     14.33082247      6.15955494     -9.14033024
  H     13.28327769      9.21708741     -9.51103933
  H     16.84206221      7.98670175     -9.01356665
  O     17.74872110      7.67219094    -16.84985624
  H     13.87061895      8.00045104     -8.76615171
  H     12.08080965      6.79224181    -14.76079694
  O     15.55602398      5.98421269    -15.98254926
  H     13.59022204      6.45114134    -10.81560479
  H     12.20196104      6.77980827    -13.21060652
  O     18.86494103      8.46389395    -14.31151237
  H     13.09550134      7.73589268    -11.52021960
  H     19.11094078     11.70215735    -13.36210665
  O     16.35809727     12.32682120    -15.37750478
  H     14.25923073     11.77072636    -12.98264103
  H     17.87882515     11.00452200    -12.75209091
  O     14.97222061      9.09006281    -14.37108905
  H     14.66920156     10.29122296    -13.17320914
  H     17.35839010      8.69048043    -11.72367330
  O     10.67156992      9.49511258    -13.27592971
  H     16.02930124      9.70355851    -15.80052805
  H     18.18933269      7.89209023    -12.75028164
  O     16.87060253      7.08807180     -9.36358610
  H     15.24513193      9.70461377    -17.09974557
  H     16.54953846     10.26400319     -7.80372570
  O     11.64647829      7.06930878    -13.94578147
  H     14.29509605      5.40798022     -8.55521963
  H     15.44129903      9.59574517     -8.65162250
  O     18.30864004     11.23708497    -13.59138687
  H     15.26940322      6.40786583     -9.22302521
  H     11.82587630      9.54626115    -11.80454094
  O     17.64262469      7.79632744    -11.95641318
  H     18.27006962      7.57553649    -17.64332422
  H     13.26511129     10.06398122    -11.59982828
  O     16.38450932      9.84079104     -8.64193890
  H     17.22038986      8.48055996    -16.95816364
  H     14.77365682     12.77071289    -14.77728815
  O     12.58882246      9.48611385    -11.21686442
  H     16.31871000      6.46247942    -16.32449516
  H     13.74104495     13.87469469    -14.45135203
  O     13.90044307     12.93756862    -14.37878750
  H     15.61812150      6.03780495    -15.01700806
  H     13.14018366      8.25764184    -16.80075724
  O     13.49283790      9.15387246    -16.84243195
  H     18.54798567      8.16817385    -15.17261045
  H     12.86789324      9.76178069    -16.41658162
          69
 Energy    -248.67473913196631     
  O     16.60933775      8.99704494    -16.62291489
  H     16.87189200      9.40185520    -15.78594791
  H     16.71272833      2.18998469    -16.10275487
  O     13.90463989      3.27635062    -16.15782143
  H     15.69259688      8.72477501    -16.50469426
  H     19.87706683      4.46298952    -16.25538173
  O     17.74511439      5.64906637    -11.64077044
  H     14.57689058      2.64264739    -16.43368607
  H     19.20243618      3.63417503    -15.14585122
  O     19.36862842      5.01486216    -18.07714859
  H     14.14487169      4.11025566    -16.58683159
  H     19.00092081      6.69858210    -17.33164795
  O     16.85877360      4.07930624    -18.47151081
  H     18.62647179      5.62995872    -12.03188755
  H     18.05722974      7.90107732    -16.88939537
  O     13.20267954      6.71344670    -10.94143791
  H     17.26067127      6.35406599    -12.09885649
  H     17.70982649      6.24962056    -15.68910825
  O     13.96978228      4.19946742    -13.60488017
  H     18.47972437      4.66207760    -18.25975349
  H     16.76006035      6.33467716    -14.47492170
  O     16.34170549      7.46288005    -13.11652751
  H     19.89620468      4.83969250    -18.85184513
  H     13.74096620      7.76106116    -15.23378912
  O     17.43221330      3.10678661    -14.78033800
  H     16.64922671      3.23257517    -18.05836095
  H     13.11869250      8.63715892    -16.34131968
  O     12.40483247      3.91852903    -11.38494126
  H     16.15382884      4.68391145    -18.20530086
  H     13.80340431      3.30479491    -10.38809385
  O     19.72609557      8.26123353    -14.21514960
  H     12.76275921      5.85684166    -10.94926201
  H     14.45850905      2.44744752     -9.28155256
  O     16.25494716      1.80129967    -16.86878617
  H     14.04546880      6.55821069    -10.48933481
  H     14.48819000      6.50111548    -16.98603344
  O     19.97529071      4.18207327    -15.33858759
  H     14.82070590      3.94153884    -13.22835973
  H     15.67930435      5.69379618    -16.44871214
  O     18.82594470      7.35941844    -16.65233237
  H     13.89740495      3.80624729    -14.48714341
  H     20.15529650      5.16710777    -13.87610826
  O     17.00241578      5.78090463    -15.22732257
  H     15.38355262      7.42212374    -13.22542652
  H     21.07086720      5.48568955    -12.67669602
  O     13.88137300      8.10314360    -16.13217072
  H     16.64982152      8.34229292    -13.36898036
  H     15.83884666      3.10339656    -11.47035151
  O     14.65295743      3.05827869     -9.98812751
  H     17.27748751      4.04379540    -14.98525477
  H     16.84293627      4.14465295    -12.03096340
  O     14.97378253      5.67983678    -17.11457189
  H     17.11305679      2.98230879    -13.87757873
  H     15.33776925      4.88058580     -9.68033903
  O     20.21386135      5.67784356    -13.05028354
  H     11.51769655      3.63712980    -11.59290099
  H     16.41772596      5.82100032    -10.23163343
  O     16.31239403      3.36794078    -12.26701207
  H     12.87778145      4.00325184    -12.23191033
  H     13.40175412      7.07425761    -12.68652576
  O     15.58168775      5.81072489     -9.75026075
  H     19.56034000      7.97315433    -15.12626967
  H     13.76524722      6.02032879    -13.74564287
  O     13.65645961      6.97367393    -13.61653777
  H     19.93090205      7.45837350    -13.72409648
  H     17.71265076     10.67004904    -13.64568977
  O     17.52950697      9.81122028    -14.01584532
  H     16.50516776      0.88200587    -16.90347639
  H     18.37490531      9.32433801    -14.03527391
          69
 Energy    -248.67473064051677     
  O     13.06996888      6.69751974     -8.05033510
  H     12.31998513      6.55794506     -8.65592997
  H     15.54110171      7.67573362    -12.77930896
  O     16.41816657     10.20790347    -14.20837897
  H     12.73216265      6.58632000     -7.16568907
  H     13.76574088      6.29423715    -12.39652938
  O     10.38012757      6.24402742    -13.44722831
  H     17.21682670     10.72174153    -14.12445001
  H     13.35413900      7.07340293    -13.67783718
  O     17.57513377      4.22151273    -10.17039625
  H     16.49016656      9.46954484    -13.57822006
  H     10.97534582      5.54066136    -10.35225302
  O     10.95683386      4.23043921    -11.74983807
  H     11.01377847      6.42272862    -14.15458154
  H     10.74772771      7.06330214    -10.34447045
  O     16.64145674      7.72572040     -9.84350855
  H     10.32761044      7.04582676    -12.91186255
  H     17.92861593      6.99453162    -12.86428556
  O     13.62683012     10.74633686    -13.89537620
  H     18.19174395      4.94446723    -10.00178478
  H     18.44158731      5.54123752    -12.95343010
  O     17.76280118      3.76723699    -12.84891721
  H     16.71961094      4.51785677     -9.83204224
  H     14.17963968      4.29550701    -12.51959561
  O     15.40815199      8.51070927    -16.27493151
  H     10.70751076      4.89845820    -12.41476008
  H     12.79983904      4.35457208    -11.75660165
  O     12.73080511      9.50873020    -16.11368599
  H     10.36268305      3.49369330    -11.86036015
  H     15.20044518      6.76819438    -16.18755203
  O     12.43425939      6.86534373    -15.25813497
  H     17.56533813      7.45589258     -9.77823912
  H     15.14042596      5.46757102    -17.01665825
  O     16.41425971      8.04385633    -12.58369889
  H     16.11349498      6.91883426     -9.73945030
  H     16.08176223      3.94342439    -13.65308907
  O     13.83529812      7.14706509    -12.84543787
  H     14.58944870     10.68976140    -13.94274674
  H     15.14942022      4.64923049    -14.67641047
  O     11.03305338      6.32455427     -9.79348538
  H     13.37264460     10.40974666    -13.02585862
  H     20.12380590      6.76312238     -9.89890139
  O     18.72342051      6.44928608    -12.78523465
  H     17.65726858      3.85995149    -11.88498731
  H     19.14096585      6.56844315    -11.07955661
  O     13.72621906      4.62062561    -11.72525063
  H     18.28307293      2.98011261    -12.98960545
  H     11.25326802      8.86021115    -11.57431275
  O     14.91525578      5.83777848    -16.16629409
  H     15.87016621      9.08240544    -15.65065360
  H      9.73528103      9.13719613    -11.48844768
  O     15.16325368      4.02567233    -13.94133350
  H     14.52730876      8.89479767    -16.36929258
  H     14.45159713      5.77424159     -8.89858084
  O     19.21057792      6.58870377    -10.10775261
  H     12.98524525      9.99696322    -15.30900949
  H     14.62877135      5.08885994    -10.27652727
  O     10.37644745      8.44131056    -11.60818668
  H     12.23862793     10.11409023    -16.66083301
  H     13.81841145      8.34629374     -8.69141625
  O     15.11329543      5.41978854     -9.50481523
  H     13.17434388      6.39293790    -15.66016983
  H     15.15103577      8.78880942     -9.31526052
  O     14.24597340      9.08180919     -9.14769667
  H     12.44409825      7.76660967    -15.60976460
  H     13.26941834      8.58382424    -11.98290221
  O     12.93673897      9.37965190    -11.53905850
  H     16.50495319      8.03555733    -11.62094126
  H     13.36858360      9.40999792    -10.67356645
          69
 Energy    -248.67453984716016     
  O     17.43420688      9.55779676    -10.39698749
  H     17.01214320      9.40360597     -9.53547997
  H     18.42464072      4.62548755    -11.15214280
  O     17.71408929     12.21737142     -9.76412069
  H     18.15084900      8.91070531    -10.43340970
  H     14.32969230      6.86693454     -7.67527598
  O     12.99030343      8.18483174     -7.17650982
  H     17.62680658     11.31156843    -10.10468248
  H     14.71856742      6.22292544     -9.03011356
  O     15.25403265      8.45545618    -11.76305038
  H     18.01751560     12.75543637    -10.49115221
  H     18.35331454      6.16309045    -12.73379248
  O     19.18935280      7.46023504    -10.04190637
  H     13.25199324      9.08679535     -7.40588781
  H     19.80345064      5.75755054    -13.09531364
  O     20.12442151      8.62055777     -7.62631771
  H     12.47412341      7.87452668     -7.93517786
  H     17.14425167     10.67610863     -5.36264175
  O     17.74621410      5.76374630     -8.26376255
  H     14.49673876      9.02110448    -11.56594786
  H     17.38556639     12.01318046     -4.62842114
  O     11.95044273      7.55690026     -9.65355445
  H     16.02444956      8.87116756    -11.35151287
  H     16.22633648      5.67173686    -12.98204150
  O     15.73132297     12.64150341     -7.70742416
  H     19.33933177      6.95925326    -10.85280298
  H     16.19118992      7.21206612    -12.87739722
  O     13.07115928      9.98349641    -10.79259549
  H     18.65896069      6.89617123     -9.46097883
  H     16.56170980      8.98396904     -7.16703269
  O     14.06870071     10.55266470     -8.30192100
  H     19.88517962      9.55886680     -7.60604799
  H     15.88045930      8.00464859     -8.15979760
  O     17.81866949      4.13142712    -10.58573289
  H     19.97678508      8.31077009     -8.52781385
  H     18.83474283     11.64613316     -8.30479896
  O     15.04264872      6.40888443     -8.13593154
  H     16.79000265      5.87313909     -8.16470943
  H     18.67099811     11.44606522     -6.79187694
  O     19.21582126      5.90720316    -12.36000785
  H     18.13856276      6.05389549     -7.43149363
  H     13.80938276      7.99987672     -5.56617133
  O     17.28133304     11.62884894     -5.49547854
  H     12.15434332      8.38669506    -10.10173324
  H     13.92365301      7.42679432     -4.14605060
  O     16.70385488      6.47390866    -13.22932876
  H     12.54021886      6.90730958    -10.05873601
  H     14.54635474      6.90630939    -11.09509497
  O     16.23657005      8.89874082     -8.07090353
  H     16.37445525     12.59927896     -8.42643819
  H     14.50804917      5.35390892    -11.17627308
  O     19.25403171     11.24704697     -7.53413592
  H     16.21047422     12.37514164     -6.91271670
  H     19.38527888      7.58372505     -6.50399067
  O     14.41114973      7.90646127     -4.81130923
  H     12.57817604     10.71824091    -11.14940762
  H     19.50175456      6.54861879     -5.35597084
  O     14.14265216      6.11494060    -10.70950812
  H     13.39454604     10.26202552     -9.91862560
  H     16.06635618      8.52695861     -5.09777488
  O     18.87547900      6.97516519     -5.93454001
  H     14.45213068     11.40976890     -8.07047577
  H     17.56768688      8.20252618     -5.43751618
  O     16.91495874      8.91069736     -5.36626037
  H     14.81768179      9.93862807     -8.25909790
  H     16.33308161      4.04475787    -11.49541767
  O     15.54277351      4.12052926    -12.06025525
  H     17.84149807      4.56409412     -9.72251528
  H     15.35206079      3.24685550    -12.38979298
          69
 Energy    -248.67373922847526     
  O     -1.65617496     -5.35207102     -5.37145632
  H     -1.31187839     -5.61022111     -4.50569894
  H      2.54448202     -4.10320647     -2.70967680
  O     -3.24540227     -3.15472258     -5.50079577
  H     -0.88607014     -5.13620401     -5.91143582
  H     -0.60384710      1.21853455     -1.00979191
  O      0.60028348     -4.21496273     -6.75438222
  H     -4.07539332     -3.36734339     -5.91876894
  H     -1.36666997      2.54595373     -0.78445009
  O     -3.30084374     -0.35293349     -0.83419591
  H     -2.74090932     -3.98620211     -5.43847098
  H     -0.01741399     -1.36649848     -0.85269518
  O     -0.47287251     -5.66409157     -2.83733590
  H      1.01955191     -4.31944224     -7.60376092
  H      0.72875286     -2.52752465     -0.14211751
  O     -1.20324202     -1.63916289      2.14026174
  H      0.11470265     -3.37091997     -6.77999487
  H     -2.59986258     -4.48355183      1.76556581
  O      1.26110577     -3.84799853     -4.03929047
  H     -2.66268120      0.36438662     -0.74227219
  H     -3.62926252     -3.44982647      1.27124078
  O     -1.02490666     -4.28204161      2.91338684
  H     -3.09497016     -0.82151554     -1.65300928
  H     -4.73600399     -1.19343564      1.82342833
  O      0.02462746     -1.37408661     -3.85156802
  H     -1.06814422     -5.15239859     -2.26884053
  H     -3.75908221     -1.14359981      0.62526579
  O      2.41961983     -2.90347763      0.33022215
  H      0.14284520     -6.12345402     -2.25299711
  H     -0.10275346     -0.09061746      2.02780637
  O      2.64202720     -0.07092909      0.22357776
  H     -2.15770019     -1.52530115      2.03906610
  H     -0.20797423      1.09956938      1.06529346
  O      2.99827896     -4.36159783     -1.89654517
  H     -0.85718728     -1.81678279      1.25094020
  H      0.36806431     -4.95998053      1.81264228
  O     -1.28779065      1.64988519     -0.46633676
  H      1.21011356     -4.01724049     -4.98786416
  H      1.63050663     -4.40970055      1.10347504
  O     -0.14904800     -2.18345671     -0.36036309
  H      0.64851744     -4.46819933     -3.61575628
  H      1.75884239     -7.51497888     -0.80596419
  O     -3.30655253     -4.34831393      1.12286542
  H     -1.03147799     -3.32320589      2.75733114
  H      1.26905312     -6.18621329     -0.18558700
  O     -3.92722863     -1.56853906      1.48639724
  H     -1.01547559     -4.40531862      3.85973723
  H      0.57439337     -0.26679079     -2.57959900
  O      0.40587989      0.63852057      1.65010877
  H      0.50402591     -2.21504762     -3.86806095
  H      1.46839660      0.10688287     -1.32108271
  O      1.10123341     -5.20770330      1.23889892
  H     -0.87753673     -1.56143789     -3.55164805
  H     -1.29656390     -3.41082235     -0.92873778
  O      1.44274000     -6.64341145     -1.02841073
  H      2.75059251     -3.33434999     -0.47540425
  H     -2.53049955     -4.24732517     -0.49746772
  O      0.61387486      0.23124304     -1.74981078
  H      2.68098254     -1.97619686      0.31586465
  H     -1.74333202     -2.22768100     -6.28583927
  O     -1.98149966     -4.01309833     -1.25759522
  H      3.37692005      0.49051506      0.45654258
  H     -0.50263112     -1.53538176     -5.69755663
  O     -0.85495876     -1.92223509     -6.50983500
  H      1.89793079      0.18937018      0.79633854
  H     -2.47058036     -2.75558385     -2.44126158
  O     -2.57769861     -1.99486816     -3.03271075
  H      2.61325649     -5.21143225     -1.64881275
  H     -2.93382069     -2.33360684     -3.86355717
          69
 Ord_Energy   -248.673370    
 O   -3.73105764       1.88864183       4.58281565    
 H   -4.36483383       2.20356703       5.22192240    
 H   -3.71458459      0.918495417       4.65370369    
 O    1.59841633       2.69078970       3.87675905    
 H   0.644964039       2.52435708       3.96721721    
 H    1.74346423       3.60067725       4.12430477    
 O    1.44496322      -2.95576429       2.68677926    
 H   0.587789118      -2.59910679       2.95007968    
 H    1.92830825      -2.23626399       2.26034737    
 O   -1.00255048      -4.66131496       4.86104536    
 H  -0.478636086      -4.56797266       5.66375875    
 H   -1.93822646      -4.75683165       5.10246372    
 O   -4.57533169      -1.14296174       2.01323295    
 H   -4.39465761      -1.03840637       2.95809054    
 H   -3.72075391      -1.34986079       1.60702217    
 O   -2.30767751      -4.51477098      0.706834912    
 H   -2.42136621      -5.12371302      -1.76770296E-02
 H   -1.54615903      -4.83237886       1.22447467    
 O    1.40440142       1.44620693       1.26877904    
 H    1.52261209       2.00677443       2.04432416    
 H   0.450947553       1.33215368       1.15236974    
 O   -1.11084211      -2.11074996       3.80837917    
 H  -0.679886580      -1.50713694       4.42952681    
 H   -1.13103378      -2.99922442       4.19435740    
 O   -1.93438959      -1.78400779       1.19936812    
 H   -2.03246307      -2.67281032      0.835674107    
 H   -1.65463912      -1.90939271       2.11893296    
 O   -1.02848005       1.87806165       3.93953562    
 H   -1.92905211       2.05743241       4.23582745    
 H   -1.10016775       1.51055300       3.04555106    
 O   -3.79897207E-02 -0.216279134       5.48274851    
 H   0.900885761     -0.194408625       5.25581598    
 H  -0.444957495      0.539286911       5.03802729    
 O   0.672159791      -3.96660757       7.03593445    
 H    1.33389556      -3.51894498       6.47915840    
 H    1.15428245      -4.52322626       7.64172459    
 O  -0.200760067      -5.21398306       2.25510478    
 H   0.536496580      -4.59192419       2.22961426    
 H  -0.491208315      -5.21645546       3.17876267    
 O   -3.99372983       1.64488113       1.69002163    
 H   -4.37617636      0.757498264       1.66069794    
 H   -4.03300905       1.90668631       2.61672330    
 O   -3.57471299     -0.857043862       4.64283514    
 H   -3.82868433      -1.30349767       5.46197557    
 H   -2.77680707      -1.30281794       4.33364487    
 O   -1.35004473      0.931985080       1.34263980    
 H   -1.45756543      -1.23392399E-02   1.16585767    
 H   -2.24145603       1.31015146       1.31713045    
 O   -3.89264584      -2.24691033       7.00150251    
 H   -4.35917330      -2.27376056       7.83208179    
 H   -2.94589162      -2.14249802       7.21073055    
 O   -4.33298683      -3.96225500       2.70203090    
 H   -3.70109344      -4.24294472       2.02919817    
 H   -4.64514351      -3.09669876       2.41791224    
 O    2.39056087      -2.71346760       5.33816385    
 H    2.15666723      -2.95634174       4.43160391    
 H    2.65545845      -1.78934836       5.29106903    
 O   -1.23944569      -1.89992976       7.39959812    
 H  -0.824885309      -1.20960200       6.86604166    
 H  -0.615135849      -2.63593459       7.39940357    
 O    2.58600235       7.99716115E-02   4.53483772    
 H    2.40908933       1.02328300       4.42688084    
 H    2.76835704     -0.246783048       3.64340496    
 O   -3.65428019      -4.59784412       5.32404852    
 H   -3.87517333      -3.85407162       5.89376307    
 H   -3.99166322      -4.39382267       4.43787670    
 O    2.89044237     -0.732903540       1.81481612    
 H    2.35440421       2.57664304E-02   1.52279198    
 H    3.68099427     -0.734768212       1.28149736    
          69
 Energy    -248.67321155186363     
  O     -1.58374545      4.51376478      2.66197392
  H     -1.73825793      5.39901750      3.01243506
  H     -0.18603022      8.35718107     -0.33241620
  O     -2.80870554      5.72118748     -1.14849258
  H     -0.86863846      4.61908016      2.01298765
  H      0.73098826      1.25903966      1.19892761
  O      4.08052531      5.94971828     -0.22480978
  H     -3.40973755      5.45307247     -1.85388879
  H      0.64349400     -0.15254924      1.82769961
  O      2.09838087      7.24512005      1.25458489
  H     -1.91174679      5.53606986     -1.47113887
  H     -0.79771974      1.93683867     -1.33659358
  O     -0.26905568      5.05365110     -1.83486931
  H      3.98484469      5.14983998      0.32218422
  H     -0.90635075      2.30403704     -2.81474523
  O      1.48254535      2.46559028      0.13614069
  H      5.01374942      6.06052520     -0.38581485
  H      2.73231346      6.30625489     -1.58406476
  O      0.43865148      4.92646020      0.83185309
  H      1.64890470      7.83475337      0.63499632
  H      1.58883574      7.33296234     -1.74710814
  O     -1.62925805      7.77344719      0.41667046
  H      2.87636485      6.89701250      0.80079873
  H     -3.86420523     -0.52141269     -1.93389301
  O     -1.94001710      1.28032454     -0.02185213
  H     -0.19639022      4.11115585     -2.03270489
  H     -3.08463138      0.60554125     -1.21705397
  O     -1.51041862      7.22933372      3.27306718
  H      0.54512812      5.50495321     -2.10102617
  H      2.86365599      3.92630054      4.72939553
  O     -3.22342477      3.62640312      0.64569896
  H      1.12083881      2.34532756     -0.75042553
  H      1.59816893      3.57242041      3.91777064
  O      0.67374058      8.64959609     -0.68645729
  H      1.14976773      3.32190242      0.45162432
  H     -4.82565948      3.85687753     -2.41448302
  O      0.17705425      0.67599041      1.74701331
  H      1.00411583      5.67322747      1.05871997
  H     -5.13925634      4.73548127     -3.64874370
  O     -0.27952557      2.28488399     -2.07598944
  H      0.13600079      5.06355476     -0.07729449
  H     -3.07584895      3.11916067     -3.60028884
  O      1.98457431      6.54560270     -2.14437488
  H     -2.16994303      7.12235198     -0.04867673
  H     -2.98205252      1.62953161     -3.24193669
  O     -3.74148811      0.42398467     -1.91084907
  H     -1.66350747      7.56578259      1.35722662
  H     -0.57390554      3.25145596      3.54889062
  O      2.39155496      4.13645029      3.92693302
  H     -1.33423688      1.00239507      0.67397826
  H      0.08195683      1.89364136      3.21740240
  O     -4.43189144      4.45620237     -3.07342911
  H     -2.37519378      2.09934720      0.26130820
  H      1.51339911      5.86115887      3.91919874
  O     -2.51022573      2.34333878     -3.68936493
  H     -0.57418761      7.08436467      3.50234450
  H      1.54340680      7.05166758      2.95375541
  O      0.12811476      2.64362559      3.82086784
  H     -1.86449343      7.82383235      3.92890571
  H      3.26503582      3.93274568      2.24343067
  O      1.11407387      6.72324539      3.75791646
  H     -2.79846870      3.89014738      1.47246551
  H      3.06167262      3.18120981      0.90885363
  O      3.64890836      3.79510736      1.36781199
  H     -3.09022004      4.36230814      0.03086900
  H     -4.71229260      3.00101840     -0.37304781
  O     -5.24375851      2.72321982     -1.13145606
  H      0.56966848      9.56362654     -0.93611597
  H     -4.89530688      1.86205045     -1.39499834
          69
 Energy    -248.67306478133301     
  O     16.42929922      9.83928723    -15.91823756
  H     16.50463754      9.07837595    -15.31635032
  H     18.25168988      4.59635100    -11.09207082
  O     16.00265549      4.51047972    -13.26240576
  H     17.31697776      9.99595072    -16.26551001
  H     19.01366187      9.00606123    -17.12528258
  O     16.48781646     13.07170893    -11.18981086
  H     15.09945147      4.85608231    -13.23694400
  H     19.70199439     10.39437769    -17.17420403
  O     19.53025272      8.60410564    -14.09631528
  H     16.26037722      4.57662147    -14.19087677
  H     17.79895863      7.88521089    -14.14557208
  O     16.46319097     10.03978440     -9.06953839
  H     16.51570977     12.70969990    -12.08483329
  H     16.79719393      6.83069893    -14.69784964
  O     14.93990882      8.00127672    -12.30194475
  H     15.69221223     12.70610553    -10.78179926
  H     13.58419953     10.08934043    -14.37668662
  O     16.63048316     11.38570157    -13.48777323
  H     19.50820028      9.12460187    -14.90770343
  H     14.50736067      9.97443046    -15.60541408
  O     19.83071026      5.86648875    -13.86282421
  H     19.31904088      9.18363464    -13.34996343
  H     16.30005021      7.87138100    -11.16464498
  O     13.58119029      5.86209474    -13.50315276
  H     17.23329881     10.61052758     -9.18091212
  H     17.54381837      6.98410379    -10.94723540
  O     19.45207546      5.18953694    -16.44496020
  H     16.69843614      9.19471508     -9.47356061
  H     13.26656199      8.10571105    -15.78055890
  O     16.72236327      5.32194807    -15.82854994
  H     14.56381575      8.88595306    -12.38734157
  H     12.32819961      7.07689700    -16.45244251
  O     18.04138396      5.31622262    -11.68213536
  H     15.57672016      7.88554794    -13.02485468
  H     19.13393232     12.45454504     -9.44235756
  O     19.13821605      9.84230565    -16.63919121
  H     17.27300523     10.85895706    -12.98945570
  H     17.85822148     12.39808184    -10.31979795
  O     16.86124127      7.69713770    -14.27719837
  H     16.61505134     11.03521680    -14.38393375
  H     18.67720885     10.60259524    -11.26023093
  O     13.62756019      9.75009956    -15.27987376
  H     19.90273096      6.83143325    -13.88365933
  H     18.05380647      9.20408893    -11.52639471
  O     17.16413030      7.84212845    -10.72435356
  H     19.27388430      5.65063915    -13.10553277
  H     13.77383239     11.73264604     -9.27365199
  O     13.21177022      7.19081994    -16.10993028
  H     13.89142639      6.61018034    -12.97399367
  H     15.06177534     10.94980847     -9.62056154
  O     18.54666781     11.85551418     -9.89447038
  H     13.44453797      6.21274943    -14.38979030
  H     17.62856508      7.34387249    -17.92702844
  O     18.48861069      9.95780167    -11.95280413
  H     19.64931882      5.38894442    -15.51140948
  H     18.94734360      6.70430318    -17.43243327
  O     14.37571275     11.53610332     -9.98654344
  H     20.01987600      4.46798446    -16.70094118
  H     14.95401736     10.94777018    -12.93163630
  O     18.57682252      7.49539781    -17.84588579
  H     16.32429191      5.91879406    -16.47464359
  H     13.99744263     10.94939354    -11.72230532
  O     14.08746325     10.63599006    -12.63066594
  H     17.63469341      5.16569008    -16.10450671
  H     14.78619159      7.24319890    -17.10979717
  O     15.68543714      7.41116676    -17.42745222
  H     17.27914894      5.02138615    -12.21407358
  H     15.90154121      8.29182796    -17.09985642
          69
 Energy    -248.67296715068892     
  O     20.80546112     10.00979503     -8.36017319
  H     20.98037606     10.61646072     -7.64591225
  H     22.22912537      9.16913074     -9.36889323
  O     17.57848375      5.85707887    -10.23186156
  H     20.15789438      9.36301019     -8.02377445
  H     19.03667755      9.35840388    -15.91455547
  O     19.02450210      6.57200515    -13.71982000
  H     18.33392360      6.43294243    -10.43361516
  H     19.56408364      9.41602636    -14.45723382
  O     21.64390619      6.14024655     -9.57974902
  H     17.94809498      5.00918644     -9.96245568
  H     22.01978782      3.05977851    -11.22961827
  O     16.40533176      6.36814879    -12.68599535
  H     18.98836961      7.35723392    -14.28073698
  H     21.40683976      4.34459374    -11.82950274
  O     21.53793596      5.55326930    -13.06154428
  H     18.11238133      6.34323404    -13.49722875
  H     13.58769475     10.10832793    -14.16331965
  O     19.86453696      5.58948333     -7.49283156
  H     21.74324117      5.28197567    -10.00427782
  H     14.85447280      9.57318461    -13.45729995
  O     13.73931362      8.05159061     -9.37393489
  H     20.96817081      6.61249720    -10.09338163
  H     15.94593898     10.46539558    -10.64547183
  O     19.65369286      7.41620898    -11.06505262
  H     15.45422185      6.50026731    -12.55454638
  H     16.80974291      9.76192451    -11.71311156
  O     18.95558365      8.22825820     -7.53377178
  H     16.76026295      6.10707678    -11.82442081
  H     17.31634075      9.15790968    -14.00157949
  O     19.58278907     10.21352978    -10.84802593
  H     20.68171227      5.79890216    -13.43781084
  H     16.53363571      8.11716463    -13.14623844
  O     22.81123380      8.60946717     -9.89505131
  H     22.01001840      6.37945592    -12.89882803
  H     23.74401786      8.22765171    -12.88421802
  O     18.85036202      9.07009883    -15.02586710
  H     19.44764817      4.84491569     -7.93567812
  H     22.85563380      8.31607527    -11.62619940
  O     21.36155570      3.73195654    -11.07265023
  H     20.60937214      5.81569963     -8.06853461
  H     16.78091936      7.20642673     -9.34095296
  O     13.90399400      9.74076351    -13.34208609
  H     14.67684081      8.00874146     -9.12078485
  H     16.65111299      8.74242505     -9.58750704
  O     16.83032459     10.10848381    -10.81020309
  H     13.23638716      7.79816533     -8.60417319
  H     13.91850091     10.44281147    -11.54200685
  O     16.58046690      9.05473013    -13.38683282
  H     19.64354977      8.37774177    -10.98315793
  H     13.85445268      9.83026957    -10.13422250
  O     22.85333423      8.08563595    -12.57204560
  H     19.55838369      7.19815875    -12.00060794
  H     20.39076769     10.12615096    -12.48216926
  O     16.45547997      8.03386148     -8.95687468
  H     18.05264045      8.21796809     -7.86821390
  H     21.50282017      9.27276363    -13.13477339
  O     14.12900443     10.62055870    -10.61632926
  H     19.21459210      7.30323450     -7.41590641
  H     19.80963632      3.58378468    -10.06501322
  O     20.75862105      9.85306646    -13.33464180
  H     19.99346237     10.28946449     -9.97705479
  H     18.77923980      2.64242189     -9.40872586
  O     19.01770475      3.56152250     -9.50567403
  H     18.62782806     10.32904207    -10.74439424
  H     13.73601948      7.36009687    -11.16462577
  O     13.83397891      7.14563894    -12.10089008
  H     22.58460965      7.70154611     -9.64407292
  H     13.67450867      7.97264710    -12.57142115
          69
 Energy    -248.67284610974949     
  O     16.12629968      9.73239025    -16.79617479
  H     15.30250867     10.10258688    -16.45947388
  H     16.88518713      5.59814691    -11.60802364
  O     15.38587248      5.35808990    -12.46260545
  H     15.92866253      9.08680460    -17.48793843
  H     19.74464181      9.49914718    -16.99083847
  O     19.73615202      7.99562794    -14.42786251
  H     14.59224917      5.90210694    -12.41486531
  H     21.05263651      8.93634742    -17.59868805
  O     14.09503088      6.56087432    -16.76819284
  H     15.58306838      5.26129678    -13.40503276
  H     16.46945242      8.27363321    -13.95089096
  O     16.76670941     11.42749710    -10.70613589
  H     18.76932521      7.99172233    -14.52639884
  H     16.72148571      8.62751607    -15.45026690
  O     15.48404675      8.80515699    -12.55998866
  H     20.09392977      8.19881456    -15.29946877
  H     14.46051338     11.17793579    -14.59740727
  O     18.29558789     11.68855454    -14.02768084
  H     14.63313656      6.88284262    -17.49983855
  H     13.36835961     11.58557341    -15.60761803
  O     19.43090113      5.38709001    -13.51039871
  H     14.69827150      6.03614347    -16.22388644
  H     17.74481877      7.60628951    -10.78972227
  O     13.19594311      7.24241494    -12.49992319
  H     17.61367390     11.87555907    -10.82996109
  H     16.78562400      8.63308539    -11.39641308
  O     18.62090730      4.48551522    -15.93895226
  H     16.98999612     10.51660212    -10.48455194
  H     13.22304427      7.64499179    -15.65201250
  O     16.10430999      5.45904178    -15.15615009
  H     15.34446675      9.73532289    -12.77435224
  H     13.17111421      9.10879805    -15.13248369
  O     17.75170910      5.73613702    -11.18419492
  H     14.63360509      8.35669374    -12.47727063
  H     19.58962639     11.46911784    -11.68584413
  O     20.28580090      8.69395799    -17.08718246
  H     18.61179370     10.87375208    -13.60945091
  H     20.14922020     12.70759145    -10.95560257
  O     17.00781769      8.05816403    -14.72473028
  H     18.60433134     12.37813427    -13.43206834
  H     19.77236895      9.14476791    -13.03759654
  O     13.95833389     10.87332886    -15.37037531
  H     19.69069432      6.28524884    -13.75991836
  H     18.87477494      9.33467683    -11.78277168
  O     17.56620546      8.55381679    -10.82533642
  H     18.89660661      5.47502642    -12.71299371
  H     18.48261444      5.94344122    -17.17419248
  O     12.84675651      8.21853371    -14.96614146
  H     12.36586020      7.18855798    -12.03532648
  H     19.04470175      7.33287663    -17.56512892
  O     19.38361268     12.38298931    -11.42248102
  H     12.99388198      7.54055960    -13.40665428
  H     16.45287516     11.58626177    -13.67367482
  O     19.51100102      9.78207069    -12.35970607
  H     18.94292359      4.75113629    -15.05866610
  H     15.81973346     11.60305124    -12.28125844
  O     18.34779777      6.69564399    -17.76267423
  H     18.99507839      3.62768592    -16.12019875
  H     17.76969378     10.51428668    -16.85564703
  O     15.60098966     11.51188486    -13.22125759
  H     16.86036865      4.95231608    -15.47291509
  H     18.64065454     11.25000419    -15.83125854
  O     18.67252584     10.82477173    -16.69679583
  H     16.43008657      6.36436921    -15.03429596
  H     16.81361545      7.26527483    -18.34761094
  O     15.96475631      7.64705815    -18.63700086
  H     17.82660759      5.07234235    -10.50276391
  H     15.94227081      7.57697919    -19.58735121
          69
 Energy    -248.67269259941602     
  O     11.06745731      9.14676356     -9.12456389
  H     11.73455063      9.40171198     -8.47704616
  H     13.32334204     12.27858236    -13.98389286
  O     13.55013178      9.37170501    -17.07623330
  H     10.90641520      9.94194517     -9.65170877
  H     17.48973347     10.13967035    -10.28770541
  O     11.48983651      7.12190551    -10.88838141
  H     13.91980749      9.38972992    -17.95478461
  H     17.18625424      9.48312123    -11.66540629
  O     14.52360006      8.82430196    -14.49605533
  H     13.06308807     10.20724591    -16.95928732
  H     15.67629288      7.79064112    -11.77761237
  O     12.02848233     11.59021035    -16.66271625
  H     11.29845156      7.81835330    -10.23457612
  H     15.83230869      8.24397134    -13.23552767
  O     11.99960963      8.33937166    -13.40014262
  H     10.91749221      6.38756609    -10.68384163
  H     13.31609115     13.77749097    -11.23846473
  O     15.19278031      8.27491295     -8.03516438
  H     13.69117437      8.59182168    -14.05744274
  H     11.93321661     13.09164357    -11.18606780
  O     13.80249086     10.42567408    -10.99685775
  H     14.31362193      8.94953897    -15.42986671
  H     14.07286326      8.66121588    -10.75572078
  O     13.11928025     10.14369750     -7.35780637
  H     12.19977487     12.14406671    -15.88929887
  H     13.36342657      7.29814222    -10.67236287
  O     15.24239326     13.80761182    -10.63662596
  H     11.12752195     11.26011531    -16.55925733
  H     17.81220971     12.89066360    -12.88067979
  O     11.18619838     11.33458897    -10.85172824
  H     11.53774886      9.18964795    -13.37462562
  H     17.28770003     11.75535025    -11.96239531
  O     12.49315630     12.75433215    -14.13984679
  H     11.80114630      7.88082247    -12.57588444
  H     11.26126025     11.47546638    -13.75152038
  O     17.55083450     10.27376210    -11.23911689
  H     14.89661168      7.93412639     -8.89150404
  H     10.09359744     10.62591179    -14.30763277
  O     16.32697614      8.10760159    -12.41819667
  H     14.44176885      8.75904464     -7.67202371
  H     15.76226819     11.30689684     -8.63717356
  O     12.41803298     13.82853613    -11.58148365
  H     14.15713432     10.77073355    -11.82663665
  H     15.05964758     12.54412446     -9.29467072
  O     14.22572237      7.71822863    -10.58330990
  H     14.25162529     10.87061041    -10.26793664
  H     14.82281723     10.48534350    -13.86392984
  O     17.04483865     12.59523274    -12.39920799
  H     12.86611811     10.53547355     -6.52477077
  H     15.61614086     11.71656898    -13.26771193
  O     10.62775882     10.77981333    -13.51957443
  H     13.67320486     10.79853771     -7.81259523
  H     10.05857034      9.38330820    -16.13001653
  O     14.91077520     11.74696089     -8.77049010
  H     15.86781430     13.43577310    -11.27830433
  H      8.72882818     10.08234451    -16.50610281
  O     14.74192974     11.35840284    -13.45389932
  H     15.46000343     14.73358029    -10.54896881
  H     17.86029532      9.98302452     -7.80145604
  O      9.56242599     10.21928058    -16.06519507
  H     12.08721193     10.97549966    -10.89297736
  H     16.51707659      9.36514814     -8.26026837
  O     17.14624353     10.09168485     -8.42351501
  H     10.78942428     11.15067573    -11.71423877
  H     12.00137118      8.34164328    -16.53169137
  O     11.19746532      8.04411765    -16.08794915
  H     12.37240739     13.30912889    -13.35722537
  H     11.43595454      7.95466063    -15.15478172
          69
 Energy    -248.67259831956687     
  O     15.44052111     10.52634194    -11.07864321
  H     15.36497763     10.91835141    -11.95816297
  H     15.54106599      4.75244755    -10.20130295
  O     14.03758553      9.21934885    -16.58053443
  H     16.31413050     10.71782486    -10.71382351
  H     14.03718753     10.07231338    -10.02321279
  O     17.37106476      9.81911373    -14.49600584
  H     14.32330214     10.13582387    -16.67867677
  H     12.65558810      9.39681350    -10.13694844
  O     12.37463387      6.24227054    -11.70775313
  H     13.47466533      9.21521219    -15.79703474
  H     17.30343315      6.24006470    -14.91459792
  O     17.36341286      8.24304527     -8.60582028
  H     16.56521071     10.24243953    -14.17228547
  H     17.14168042      4.97845947    -14.04284532
  O     17.60847551     11.25482838    -16.82950302
  H     18.01786742      9.83555575    -13.77574576
  H     15.93960481     11.77363202    -16.67830977
  O     15.75638736      7.79800331    -11.63675058
  H     12.92142396      6.20488150    -12.50015485
  H     14.75068801     12.72441652    -16.95228541
  O     14.98123284     11.10171956    -13.75702224
  H     12.98352119      6.10975632    -10.96621574
  H     13.44484879      8.25370078    -13.83466150
  O     18.41637090      7.08459319    -12.03246932
  H     16.46453458      8.13246414     -8.27303682
  H     12.41250063      9.14590813    -13.11870520
  O     19.03323324      9.74767982    -12.34630294
  H     17.67048225      7.37308408     -8.88601611
  H     11.70119831      7.85309956    -11.55028352
  O     15.56438278      4.09310719    -13.32371271
  H     17.67047408     10.72890546    -16.01468129
  H     10.51526915      8.83986672    -11.42811212
  O     16.27084932      4.20833366    -10.53176463
  H     18.26108715     10.89765900    -17.42591439
  H     14.29103987      8.16383144     -6.86976918
  O     13.34015130      9.64369250     -9.50567640
  H     16.69854367      7.61790886    -11.75709597
  H     14.12547247      8.63729832     -8.33422447
  O     17.77206910      5.66175299    -14.29954752
  H     15.64823002      8.73529921    -11.43620052
  H     14.40728868      6.63636372     -8.98794394
  O     15.00601420     11.94656323    -16.46368300
  H     14.94552670     11.55778636    -14.60660666
  H     14.92944001      6.74799843    -10.42994656
  O     13.01966381      9.11982430    -13.86858502
  H     14.27598458     10.43746174    -13.77585680
  H     17.62236497      5.09827299     -9.90240104
  O     11.46324355      8.79725726    -11.52569496
  H     18.53315173      6.52719187    -11.25441006
  H     18.96803946      5.15005726     -9.14106705
  O     14.61769080      8.02685185     -7.75459162
  H     18.30551281      6.52529424    -12.81551088
  H     14.89315072      7.04391037    -12.92379442
  O     14.43652263      6.16631236     -9.82905678
  H     18.76694054     10.12711635    -11.50162368
  H     14.97687770      6.89125828    -14.46134242
  O     18.33077639      5.69296621     -9.59761286
  H     18.96917499      8.78747103    -12.22947802
  H     18.35969943     11.17524332     -9.20836908
  O     14.44732379      6.64129767    -13.68933553
  H     15.08473755      4.92268079    -13.47157510
  H     17.77954818      9.75112175     -9.37768216
  O     17.94156170     10.59443616     -9.83826906
  H     15.05754922      3.40541499    -13.75036582
  H     16.64381837      8.31509049    -15.22574755
  O     16.11601278      7.61614937    -15.64021781
  H     16.08947471      4.06278150    -11.46687583
  H     15.43618135      8.07835734    -16.15130573
          69
 Energy    -248.67230747942043     
  O     16.34347354     11.50916666    -12.60307517
  H     16.62067124     11.02238514    -11.81019171
  H     16.19165193      5.39040352    -15.26987597
  O     15.65725617      6.16356042    -16.76787238
  H     16.69352067     12.39335852    -12.51517158
  H     13.92606209      7.78456285     -9.81343437
  O     12.43562691      6.68285691    -12.42182488
  H     15.69372801      7.11092185    -16.94236302
  H     13.34946455      6.76402689    -10.84322006
  O     14.77152479      4.36418645     -9.29488314
  H     14.72729861      5.90524617    -16.77182157
  H     14.17840539      9.06468928    -12.99062686
  O     13.04751042      4.97405367    -16.33853487
  H     11.59742648      7.05988792    -12.71321096
  H     15.27330837      8.06486630    -13.50413761
  O     15.89188393      9.02313308    -17.16464772
  H     13.12729033      7.21686359    -12.84786838
  H     17.25854039      9.02289751    -14.38945419
  O     14.18444380      9.55216097     -9.64745781
  H     14.43935889      5.25086669     -9.51535399
  H     16.84602457     10.49057195    -14.20828296
  O     17.47644699      4.81777430    -10.13055583
  H     14.39726681      4.13543500     -8.44778716
  H     10.59561782      7.67712199    -14.56438515
  O     13.36492128      9.17948009    -15.96248797
  H     13.20253562      4.72998898    -15.41046848
  H      9.33407894      7.91850222    -13.70078314
  O     14.71027071      2.91932454    -11.75950167
  H     12.85916346      4.16242068    -16.80418508
  H     12.22012389     10.22923548    -14.85368001
  O     17.43874821      3.34204466    -12.57791292
  H     16.35391752      9.36118567    -16.37684716
  H     11.15573379      9.73922263    -13.85939088
  O     16.25415299      5.05670661    -14.36181426
  H     16.35300333      9.37267744    -17.92249299
  H     13.10163382      5.19337447    -13.21402949
  O     13.96073411      6.85970290    -10.10039787
  H     13.84651003      9.95684763    -10.46065012
  H     13.86488293      3.84573197    -13.02534384
  O     14.33129376      8.26762417    -13.51781230
  H     15.10709151      9.82193217     -9.61147540
  H     12.01705677      7.95226611    -16.17937719
  O     17.11266401      9.84890919    -14.87446804
  H     16.63047296      4.55757118     -9.74295933
  H     11.85377492      6.42341445    -16.20132210
  O     10.28529827      7.98248419    -13.69166590
  H     17.57060233      4.29466021    -10.93664188
  H     14.45952558     11.11409989    -12.43888651
  O     11.73089560     10.48739789    -14.06070615
  H     14.13635686      9.24002918    -16.53624603
  H     12.96978136     10.72838745    -12.79964245
  O     13.57997485      4.49663964    -13.68350738
  H     13.69687270      8.81227782    -15.12819134
  H     17.01941291      7.45924329    -12.41925923
  O     11.36866883      7.24409368    -16.05638866
  H     15.64740966      2.89431030    -11.98832597
  H     16.85948072      6.64349123    -13.73263873
  O     13.68765137     10.60861529    -12.15903741
  H     14.66330630      3.33572004    -10.88965995
  H     17.71246722     10.21786568     -9.64239149
  O     17.03449839      7.52761446    -13.38291446
  H     18.07568357      2.76278406    -12.98859182
  H     16.98618599      9.09309382    -10.40694005
  O     17.03243012     10.05796973    -10.29268817
  H     17.11546654      3.93864944    -13.27402489
  H     15.74348099      7.23188426    -10.52816344
  O     16.69309121      7.36882235    -10.64444749
  H     15.34514754      4.90266122    -14.06975536
  H     17.12001155      6.52802307    -10.42309649
          69
 Energy    -248.67185399633584     
  O     15.67801360      8.37754239    -16.11813570
  H     16.11044083      7.56430417    -15.80944062
  H     20.82292332      5.06982594    -16.01292349
  O     14.09667799      4.52729108    -16.52600427
  H     15.97076769      9.07183281    -15.51699168
  H     18.36825463      7.62871356    -17.78793369
  O     17.97129442      6.40786204    -12.62709876
  H     13.39548711      4.02143583    -16.93080090
  H     19.65196829      6.79653675    -17.47530582
  O     20.62553389      5.29971040    -17.90220819
  H     13.73162426      5.41061801    -16.33964536
  H     17.52521314      6.41753277    -14.41744107
  O     18.56391749      3.58816842    -17.82427894
  H     17.77750463      5.46830892    -12.50497397
  H     17.96924400      6.61497046    -15.90056492
  O     12.47524858      6.06256395    -10.65761818
  H     18.92538847      6.53296068    -12.70099857
  H     13.97280057      7.61428359    -16.04362226
  O     14.64223491      4.32934184    -13.73986466
  H     21.25653952      5.06587893    -18.57641178
  H     13.21126545      7.00884673    -14.86367899
  O     15.95881135      8.18535317    -12.19873136
  H     19.90436502      4.64352469    -17.94841736
  H     16.28904146      3.83296745     -8.97837123
  O     18.17614635      3.63285364    -15.02110445
  H     17.73830624      4.00656511    -18.11261592
  H     15.78408572      5.01711965     -9.83578386
  O     13.52187764      3.61866149    -11.22803917
  H     18.42856141      3.34154426    -16.90127830
  H     21.45699328      6.96418823    -12.77368004
  O     19.29378395      8.97758920    -14.77612169
  H     11.60660072      6.03424319    -10.26694722
  H     20.71594795      6.22355471    -13.91402987
  O     20.67582126      4.95148629    -15.06758690
  H     12.74256133      5.14050726    -10.82447624
  H     16.20739341      3.95045515    -12.94461246
  O     19.06806922      7.48839611    -17.13763292
  H     14.34977402      5.22482026    -13.51643678
  H     16.79145890      3.75999120    -11.52404271
  O     17.26265707      6.27007282    -15.33629789
  H     14.54134605      4.24429894    -14.69470902
  H     15.46754560      7.30916655    -10.55305757
  O     13.24391779      7.01694192    -15.83073903
  H     16.69402342      7.55737154    -12.28527961
  H     14.21590003      6.58059185    -10.02696144
  O     16.00837684      4.06966673     -9.85821276
  H     16.18633833      8.92958381    -12.76695040
  H     16.33218149      5.89823882    -18.52908942
  O     20.63345327      6.93499259    -13.25240875
  H     17.89100108      3.43303402    -14.12199032
  H     15.54244031      4.82237801    -17.74980725
  O     17.03356567      3.79955560    -12.45724270
  H     17.74447029      4.47074687    -15.24841909
  H     14.43807587      7.38249278    -12.79962564
  O     15.16880887      6.66841008     -9.89630116
  H     14.33242866      3.60016511    -10.70355755
  H     13.14110579      6.69443469    -12.28548977
  O     16.23373638      4.94750141    -18.41173313
  H     13.80870393      3.67140675    -12.14957881
  H     17.76217636      9.68926683    -14.35101721
  O     13.66520475      6.87028710    -13.07612570
  H     19.29999021      8.57301116    -15.65486797
  H     16.96439776     10.98807509    -14.09072372
  O     16.87297871     10.04164172    -14.16281127
  H     19.80945388      8.38886223    -14.21338580
  H     16.32385429      8.35088243    -19.32531153
  O     16.67856309      7.82748396    -18.61115553
  H     19.89070163      4.39262171    -14.99179653
  H     16.24552669      8.13233731    -17.79577461
          69
 Energy    -248.67168678652871     
  O     18.41762432      9.72106340    -14.70922385
  H     18.57711025      8.79237709    -14.50797695
  H     14.93180160      4.18891161    -13.88205465
  O     15.20358085      4.05114793    -15.70749437
  H     17.85679913     10.06011822    -13.99594004
  H     13.57516044      9.67979953    -10.56766343
  O     12.67678868      8.30818906    -13.28678587
  H     15.92574337      4.68190068    -15.88115830
  H     12.82720198      8.77317538    -11.59056133
  O     11.94782914      6.71359590     -9.24485907
  H     15.38974432      3.27082107    -16.22269855
  H     15.68841601      9.05479297    -13.74000321
  O     12.87044475      5.68803991    -16.06476025
  H     13.59389281      8.29812546    -13.60287203
  H     15.43721560      8.20145492    -15.02665742
  O     16.98484578     10.65539206    -16.82193416
  H     12.38013798      7.38907751    -13.30871694
  H     19.52871633      6.54990487    -13.65757544
  O     17.12264253      5.88808747    -16.15379481
  H     12.74916256      6.35651315     -8.84411918
  H     18.02919156      6.73937464    -13.33899958
  O     14.45255530      5.44761152     -8.50658404
  H     12.19969395      7.55047762     -9.65837556
  H     12.46097883      9.57764974    -14.69933992
  O     15.71909039      8.17696627    -16.84601622
  H     13.64411637      5.11274454    -16.03477764
  H     12.70899046      9.46002979    -16.20636933
  O     11.01614114      4.77846199    -10.90834597
  H     12.47330550      5.63806046    -15.18605613
  H     14.11275194     11.16754822    -15.17968880
  O     13.67035778      3.76205317    -10.47466265
  H     17.51572813     11.18849476    -17.40727462
  H     15.54685395     11.42276546    -15.70500293
  O     14.76364942      4.44678018    -12.96681982
  H     17.57565597     10.34501486    -16.11140092
  H     11.67436340      5.28393337    -12.57518345
  O     13.01975776      8.89923593    -10.64793176
  H     16.68817169      6.67693580    -16.50942173
  H     13.09739665      5.21106810    -13.17792355
  O     15.30383342      8.23075599    -14.07184678
  H     17.74966764      6.20162802    -15.49300091
  H     12.47425544      7.93339135    -18.23501645
  O     18.71903798      6.92318781    -13.99798200
  H     14.65818790      4.95945708     -7.71426338
  H     12.90486990      7.17350964    -16.95838365
  O     12.65846361     10.10022237    -15.48703989
  H     14.22722151      4.79104193     -9.19095831
  H     16.06132959      7.08802327    -13.02485092
  O     14.94280973     11.62635349    -14.98207938
  H     14.80941501      8.18754209    -17.17067635
  H     16.26207613      6.85250187    -11.50617264
  O     12.21053295      5.57141939    -13.32363686
  H     16.10530739      9.05252400    -16.97846394
  H     16.08535876     10.61839230    -12.07535272
  O     13.00231895      8.01214405    -17.44519682
  H     11.26594322      5.50213523    -10.30602996
  H     15.83080390     11.07171085    -13.56724812
  O     16.52327178      6.52831351    -12.37693274
  H     10.15095321      4.48206983    -10.63966247
  H     15.69587152      9.41097494    -10.09120207
  O     16.39310015     10.53469607    -12.98290187
  H     12.73390468      3.93816202    -10.62787097
  H     15.80604660     10.83359065     -9.50394321
  O     15.53482249     10.34926025    -10.28064170
  H     14.10394934      3.85799237    -11.33342948
  H     15.22678277      6.84396822     -9.41922982
  O     15.40813343      7.56468147    -10.03619121
  H     15.43371981      5.10428246    -12.73512937
  H     14.54044601      7.87939538    -10.33147500
          69
 Energy    -248.67152940851025     
  O     14.24246240      9.47139168    -10.52387605
  H     13.91860136     10.09653399    -11.18562265
  H     17.23007506      4.45965746    -11.24729095
  O     13.95913455     10.13950352    -16.30898279
  H     14.90789029      9.90576116     -9.97494350
  H     12.31999263      7.00510442    -10.65881632
  O     16.18832524     11.11814653    -13.49694477
  H     13.97208140     11.04220860    -15.96540358
  H     13.18471884      8.09799062    -10.00053655
  O     13.61729428      4.65665181    -12.77816467
  H     13.31088078      9.66785261    -15.77493005
  H     19.45587190      7.91179364    -15.49554795
  O     16.79618736      7.73516819     -8.44161841
  H     16.81206845     11.14678963    -12.75669863
  H     17.98584209      8.31870219    -15.26473306
  O     15.79747843      7.59699758    -11.91225451
  H     15.33307610     10.85577266    -13.13228329
  H     15.13657979     12.26377101    -14.47385887
  O     13.45596898     10.86137245    -12.76514912
  H     14.26766674      4.68480260    -12.06382119
  H     14.48572994     13.54238382    -15.04538222
  O     18.45812483      8.31601084    -12.14888865
  H     14.12548005      4.54615264    -13.58973785
  H     12.08404763      8.01852036    -13.55126016
  O     17.82974950     10.91536106    -11.34799347
  H     16.08112820      7.09493063     -8.37022500
  H     13.40119815      8.15382582    -14.31174634
  O     17.82782791      5.08834589    -14.22538739
  H     17.52826826      7.29650388     -8.89948078
  H     10.82715085      6.07652705    -12.42928100
  O     15.32424577      4.64489240    -15.09139868
  H     15.24979098      8.22847970    -11.42880562
  H     12.34717659      5.84827591    -12.57347435
  O     18.14622165      4.27359717    -11.51821853
  H     15.43459357      7.49333956    -12.80237233
  H     14.18670720      5.52466841     -7.59940525
  O     12.74085592      7.25468113     -9.82896538
  H     13.07651070     10.09873918    -13.22995638
  H     13.86131311      6.34936020     -8.86825811
  O     18.70126531      7.75259346    -14.93273409
  H     13.44370256     11.59958555    -13.38242722
  H     15.72732819      5.96819773    -11.19710785
  O     14.32734927     12.61626611    -14.88166371
  H     17.52811006      8.05915786    -12.03978174
  H     15.28950656      5.17563941     -9.94394856
  O     12.57662403      8.62641670    -14.11550913
  H     18.67858943      8.15356514    -13.07173322
  H     18.73611772      5.76201499    -10.40323561
  O     11.66831874      6.52668784    -12.40706977
  H     18.20548403     10.05332034    -11.57735166
  H     18.89369289      7.25761612    -10.67618499
  O     14.56996046      5.86997110     -8.40069991
  H     17.39780763     10.79551291    -10.49386492
  H     15.54752418      7.92865481    -14.97550361
  O     15.62861415      5.07014932    -10.84130488
  H     18.05711702      4.86635886    -13.31426563
  H     15.05994913      6.43662593    -14.83875432
  O     18.84249480      6.61022467     -9.95936399
  H     18.18868689      5.96156998    -14.41524757
  H     16.56673836      9.40553865     -8.73404954
  O     14.93664833      7.33776187    -14.51756132
  H     15.33084596      4.09510193    -15.86974033
  H     16.45620683     10.83084396     -8.14129764
  O     16.37759947     10.33756685     -8.95304731
  H     16.24852985      4.72405735    -14.79112049
  H     15.72072895      9.57750773    -16.06985374
  O     16.52919063      9.34325269    -15.59123316
  H     18.33221710      3.37433070    -11.25917786
  H     16.55612969      9.95076867    -14.83567669
          69
 Energy    -248.67151781381557     
  O     12.47478759     12.96822063    -14.91376490
  H     12.02136932     13.80038322    -14.81108526
  H     14.10119320      6.21063693    -14.82778849
  O     17.05988315      6.12952424    -13.48283912
  H     13.03608242     12.86511176    -14.12836037
  H     16.54361704      9.93548650    -13.96432260
  O     19.10611861      9.93661768    -12.44506040
  H     16.17396426      5.76266523    -13.37677712
  H     18.09183802      9.95745869    -13.89816078
  O     17.09884223     13.59020012    -15.58690497
  H     17.08657809      6.51553263    -14.36708924
  H     16.57001698      8.73136513    -19.31548969
  O     14.33672805      5.24827656    -13.25731485
  H     18.89284157      9.09116484    -12.03367719
  H     15.38456009      8.73362754    -18.32094917
  O     15.49324618     10.94143051     -9.33307154
  H     18.65689276     10.61664294    -11.91929053
  H     14.31849422      9.49613166    -13.45408693
  O     13.49301552      6.98268539    -11.36897049
  H     16.74793679     12.80703796    -16.03787177
  H     15.26606235      9.39949044    -12.21114391
  O     14.18153732     12.50341427    -12.78443745
  H     17.88959542     13.82674792    -16.06719353
  H     14.40235161     11.03422101    -16.42045593
  O     13.71517409      8.48383384    -17.86511058
  H     14.05385414      4.36739376    -13.02759652
  H     13.04557418     11.65171790    -15.97655477
  O     15.70112305      8.50373972    -10.67700593
  H     13.99922874      5.84268095    -12.56294937
  H     17.82042539      6.94257053    -12.14568178
  O     16.78920330      7.60865511    -15.89497329
  H     14.59953058     11.07937645     -9.69437498
  H     18.77664264      6.82504879    -10.93649728
  O     14.10597101      6.88229728    -15.52116952
  H     15.46126041     11.19711726     -8.41506116
  H     11.98765547      9.13627185    -12.80289730
  O     17.34441928      9.91390288    -14.50964271
  H     12.79754051      7.64442095    -11.44892452
  H     10.72633526      9.12125460    -11.91275312
  O     16.33839722      8.91265993    -18.40884367
  H     14.26432495      7.44959997    -11.01624561
  H     16.78927272     13.78108709    -13.84967529
  O     15.07573468      9.90169099    -13.01372209
  H     14.52316973     11.59962662    -12.86840979
  H     16.83048770     14.79605632    -12.68640772
  O     13.45518539     10.85710251    -16.34802215
  H     14.95253206     13.08377515    -12.77791709
  H     16.87306648     11.62407872    -10.51276531
  O     18.17565525      7.42153192    -11.37517301
  H     13.45852078      9.31727934    -17.44614206
  H     17.26314219     12.53939010    -11.69729899
  O     11.67973412      9.15078867    -11.88053280
  H     13.67786562      7.81375046    -17.17095305
  H     16.35697853     10.52915527    -17.37572417
  O     16.58772302     13.89981438    -12.90604581
  H     16.59800824      8.17060037    -10.81170132
  H     16.70463175     10.77361041    -15.89064058
  O     17.59478830     11.85096147    -11.10981527
  H     15.73767535      9.27488429    -10.09703272
  H     13.33140784     11.85222442    -11.26038248
  O     16.25918148     11.16712889    -16.65940061
  H     16.77793169      7.90566462    -16.81159741
  H     12.57469276     10.55772122    -10.90295219
  O     13.07234218     11.28865114    -10.51791365
  H     17.05191341      8.38276847    -15.37295250
  H     12.93563282      9.71266213    -15.04324288
  O     12.81439725      9.02698258    -14.37158900
  H     15.03238727      7.13727540    -15.64368717
  H     13.17468238      8.20920437    -14.74241939
          69
 Energy    -248.67124986562951     
  O     17.58253719      8.76381987    -12.80104462
  H     18.22038310      8.67014434    -12.08164543
  H     14.07943106      8.46943446    -14.49906952
  O     12.00200043      7.99963681     -9.27282837
  H     16.73747467      9.01083037    -12.39479267
  H     11.36676291      8.46056323    -12.36089779
  O     17.90570485     11.00463046    -14.41811790
  H     11.59641283      7.53564238    -10.01723238
  H     11.74908987      9.86725069    -11.85655430
  O     11.05477894      6.75372635    -11.66112497
  H     11.95097733      8.93957988     -9.48594572
  H     18.41552180      5.18221146    -10.19435141
  O     16.95388500      6.13559780    -13.27906740
  H     16.99638703     11.24990948    -14.62874471
  H     17.64595528      5.91928290     -9.08178697
  O     19.22302263      8.22988824    -10.63370681
  H     17.85240467     10.15180063    -13.96248481
  H     13.72363122      7.55856860     -9.48475297
  O     18.93358622     10.98147349    -10.01926893
  H     10.29027278      6.19134460    -11.75333458
  H     14.76410701      8.05254307    -10.52940741
  O     17.15408341      7.86393658     -8.80255390
  H     11.80953468      6.25905259    -12.02598833
  H     18.59540731      5.71555599    -12.44888512
  O     13.19345668      5.46758264    -12.73172912
  H     17.16857783      7.07296147    -13.14623916
  H     20.00274769      5.10312167    -12.29526729
  O     15.14692799     11.73329962    -14.64280928
  H     16.43117333      5.82741354    -12.52176988
  H     15.55512889     12.50682267    -12.92774489
  O     14.71814518      6.71587550    -14.84524628
  H     19.47559136      7.37230593    -10.99451106
  H     16.80313326     12.83305229    -12.08633003
  O     13.84216733      9.36245829    -14.22389193
  H     18.52335163      8.06235061     -9.98238770
  H     14.59707182      9.34594769    -12.54941584
  O     11.65052180      9.33549927    -12.65575740
  H     18.89929170     11.51738700    -10.82124803
  H     14.99583387     10.07642856    -11.21670319
  O     17.74337159      5.06169783     -9.51302297
  H     19.24118462     10.10259060    -10.27445089
  H     19.29525736     13.24917930    -12.62520560
  O     14.62385060      7.42192504     -9.80770811
  H     17.08915792      8.77054482     -8.48061083
  H     18.48812788     12.02926818    -13.12914654
  O     19.35754372      5.65016345    -11.85329857
  H     16.25505030      7.63758110     -9.08466551
  H     15.39835277     11.20090034     -9.37831763
  O     15.83874087     12.81625560    -12.05880208
  H     13.92424324      5.18601419    -12.16528559
  H     15.10109598     12.03229268    -10.67720155
  O     15.13380423      9.28316977    -11.75010509
  H     13.60214151      5.85969472    -13.51105259
  H     16.21133780      4.91260439    -10.55241189
  O     18.67998920     12.57589381    -12.34669806
  H     14.65772086     10.89885657    -14.55067698
  H     15.07690316      5.94229578    -10.64686821
  O     14.71805691     11.42087335    -10.02673841
  H     14.70377437     12.23307510    -15.32429099
  H     17.61981930     10.86651734     -8.91254307
  O     15.47955018      5.19499478    -11.11682639
  H     15.54503718      6.48305648    -14.39347871
  H     17.07288594     11.10205805     -7.48373368
  O     16.86334413     10.69609076     -8.32128273
  H     14.76870872      6.33005546    -15.71726768
  H     12.98078392     11.01684529    -10.07240695
  O     12.05772798     10.73383020    -10.17893326
  H     12.97994478      9.33780555    -13.77602102
  H     11.51670581     11.44676742     -9.84751678
          69
 Energy    -248.67108799141158     
  O     12.14864762      8.36882046    -10.70803676
  H     11.37703556      8.50091111    -10.16352702
  H     16.08871101      7.51778115    -16.02897972
  O     16.37901942      4.98406105    -12.64292944
  H     12.53038408      9.25050882    -10.86724058
  H     20.28398517      7.58578016    -14.69909097
  O     13.11582580     10.79542014    -11.47196795
  H     15.48786275      4.62566283    -12.72865369
  H     19.27937044      7.55754343    -13.52267050
  O     15.86429317     11.55489329    -11.93239123
  H     16.80514038      4.97455894    -13.51491649
  H     16.01964807     10.29297531    -14.89157736
  O     12.15631517      7.61744698    -17.28602251
  H     14.03060999     11.09795951    -11.48515643
  H     15.62009348     11.33926040    -13.82856752
  O     16.18950303      7.07701446     -9.24359716
  H     12.82396514     10.83919616    -12.39310845
  H     14.59502547      7.71789358    -13.03961043
  O     13.29358794      5.95235305    -15.19702018
  H     16.22512438     10.74804577    -11.52451739
  H     15.80553098      6.75557866    -12.77473580
  O     12.73089632     10.53858965    -14.24413131
  H     16.29669038     12.29151041    -11.50727555
  H     13.23026862      6.83405886    -10.45947259
  O     14.38540784     10.62690317    -17.39896423
  H     12.93207964      7.71129695    -17.85434981
  H     13.67388236      5.55166608    -11.19976218
  O     17.58238952      5.27292569    -15.06680379
  H     12.38417650      6.94450001    -16.63481127
  H     18.47002372      4.51506616    -10.27192986
  O     16.93885105      8.76416761    -15.00821763
  H     15.36154673      6.70101414     -9.57701848
  H     17.46959171      5.14505057    -11.26838701
  O     15.65342979      6.78714338    -16.49175670
  H     16.87820574      6.45761884     -9.51085596
  H     13.48503042      4.86877400    -13.75457826
  O     19.36152157      7.46886873    -14.48988425
  H     14.13865685      6.19001728    -15.60539187
  H     13.12924767      3.62201043    -12.91923111
  O     15.42458129     11.03986019    -14.72526085
  H     13.05017064      6.67261212    -14.59236877
  H     16.52972733      8.59004177    -10.17937302
  O     15.55490472      7.66935579    -12.96040795
  H     12.24105167     10.52373961    -15.07528564
  H     16.25494958      8.67967691    -11.68159732
  O     13.82856552      6.07753110    -10.40934893
  H     13.65692288     10.72843525    -14.45619320
  H     18.33596890      8.34035858    -11.49909481
  O     18.09480331      5.34626495    -10.55017859
  H     13.43421756     10.65094270    -17.23280296
  H     18.82177627      6.89104484    -11.34455580
  O     13.65001290      4.42165307    -12.90853699
  H     14.80886965     10.91051022    -16.58062661
  H     14.81702861      8.33705511    -19.57287257
  O     16.67740669      9.15681206    -10.95062812
  H     18.26505001      5.94320492    -14.93599451
  H     14.60606119      9.09948116    -18.24238675
  O     18.99176606      7.71194796    -11.82424358
  H     16.94874062      5.65228147    -15.68973617
  H     11.71801434      9.27622930    -16.93436115
  O     14.59340335      8.21671496    -18.65410300
  H     17.85031017      8.45728979    -14.93277709
  H     10.80962357     10.49764380    -17.21710612
  O     11.61094318     10.23117220    -16.77506325
  H     16.45956066      8.38108209    -14.25373565
  H     12.74738826      8.82312027    -13.73434511
  O     12.79471100      7.92340299    -13.38128424
  H     15.35557184      7.15318006    -17.33305586
  H     12.44005674      7.95851618    -12.48456555
          69
 Energy    -248.67067760167788     
  O     16.55190658      9.33477534    -15.88458278
  H     16.52893375     10.28977313    -16.02039765
  H     13.77289038     11.59245016    -14.45110784
  O     14.69325163      8.52182768     -9.17403655
  H     15.67077627      8.96447961    -16.04072576
  H     16.00614494      4.23865281    -14.14846211
  O     16.72076278     12.14612562    -15.74227165
  H     14.50308589      8.14879604     -8.31745465
  H     17.02887221      3.17813275    -13.67576338
  O     13.13666770     10.18798953    -10.92577128
  H     15.27362774      9.28828029     -9.02415527
  H     15.15317509      7.73123063    -10.79044182
  O     14.11816937      8.05746630    -16.03427473
  H     16.98027140     12.83110306    -16.35258349
  H     15.43163933      8.32139045    -12.20352573
  O     18.58533458      7.67744764    -15.16637141
  H     17.45646815     12.03356184    -15.11258879
  H     18.00689027      6.15830011    -16.15173281
  O     20.46092271      9.45454381    -14.28419744
  H     13.55603517      9.59892718    -10.28822987
  H     17.43278466      4.82719244    -15.64443806
  O     17.72840358      6.53356259    -12.76342743
  H     13.72634027     10.94619922    -11.02205085
  H     14.86116067      5.32478304    -18.18752580
  O     11.60672714      9.04874247    -12.84692943
  H     13.89063074      7.69449527    -15.16601736
  H     15.90493829      5.61703907    -17.08353844
  O     15.02926031     12.30287435    -11.29084609
  H     14.33015949      7.30034456    -16.59506457
  H     16.14929821      9.48634479    -14.08695897
  O     12.68668685     10.36349863    -15.13718041
  H     18.27496696      7.30016508    -14.32965282
  H     15.18841071     10.45982729    -13.37487859
  O     14.47815090     12.07955974    -13.99682640
  H     17.88973607      8.26806770    -15.49561829
  H     18.40642370     11.51911088    -13.03715531
  O     16.94591628      4.09108028    -13.93778883
  H     21.32637414      9.31614232    -14.66006920
  H     19.36308230     10.99240688    -14.11793458
  O     15.35062753      7.49224501    -11.70335907
  H     19.87027771      8.79411501    -14.68570609
  H     16.95266448     10.34034189    -12.05682213
  O     17.51620013      5.37639185    -16.43419063
  H     17.55702221      5.63823309    -13.08174067
  H     18.30980415     10.03346682    -11.39841665
  O     14.96575161      5.71288483    -17.32303450
  H     16.91050471      6.82529314    -12.33608762
  H     14.03106226      7.03893108    -12.86212616
  O     15.76980241      9.70354087    -13.22714083
  H     10.69502904      9.09117809    -12.57066339
  H     12.65205860      7.57128650    -13.31544657
  O     18.69458401     11.66739204    -13.94508485
  H     12.13143294      9.48254783    -12.15012831
  H     18.91839302      7.83890144    -11.96927405
  O     17.61222062     10.70595409    -11.44731823
  H     14.76508309     12.43663746    -12.21404854
  H     19.90223461      8.89587959    -12.50861087
  O     13.35714158      6.95607341    -13.55197005
  H     15.94976824     12.02293376    -11.32927019
  H     15.62085573     11.51621295     -9.31263664
  O     19.38956166      8.64718033    -11.72977166
  H     12.21302807      9.95445643    -14.40145602
  H     16.84963394     10.71026330     -9.72514578
  O     16.18747383     10.79447989     -9.02362283
  H     13.09979589      9.63564095    -15.61767392
  H     14.46228278      4.89001824    -15.64453703
  O     14.39868055      4.62291189    -14.71952105
  H     15.18471490     12.22966257    -14.63694963
  H     13.91598945      5.33138421    -14.27331102
          69
 Energy    -248.67065061089602     
  O     16.62267818     10.85442710    -15.48441631
  H     16.96285758     10.64022959    -16.35952852
  H     18.01429673      4.25325628    -15.74317084
  O     12.75756366      6.18891496    -16.29294446
  H     17.37410986     10.77257699    -14.88485061
  H     18.66352545      8.60437411    -17.43942506
  O     17.30650306      5.97655586    -11.93906498
  H     12.70043279      7.11040467    -16.57092529
  H     19.09436932      7.10919025    -17.60774236
  O     18.84369191      5.52962986    -18.51564650
  H     12.86159534      6.20722821    -15.33201849
  H     16.54226882      6.15748431    -15.65521750
  O     16.16849933      5.75033178    -18.93562412
  H     18.15566751      5.71109647    -12.31262122
  H     17.56175705      7.27489406    -16.04597594
  O     13.33122423      6.24521643    -13.55544825
  H     17.13199600      6.85177556    -12.31864685
  H     14.00234292      9.66074115    -13.92320439
  O     16.81091335      8.34812426    -13.22444683
  H     17.88628869      5.56088151    -18.69224059
  H     14.92550831     10.32704746    -14.98937761
  O     16.22043266      4.33835341    -15.57664786
  H     19.25517333      5.17442029    -19.29880455
  H     13.22894826      9.34369279    -16.17543412
  O     13.11590606      4.68319865    -11.25289307
  H     15.86549838      6.64206551    -18.71892029
  H     12.13080561      9.51459030    -17.25398582
  O     20.15454059      8.12201448    -14.44414139
  H     15.50810080      5.15950131    -18.55459497
  H     19.46270225      5.08297337    -14.28506234
  O     14.19480794      4.26398476    -17.50411723
  H     14.12532540      5.69444724    -13.53154681
  H     20.45923408      4.97553889    -13.11193017
  O     18.95999095      4.44262210    -15.83446317
  H     13.58200189      7.11004305    -13.19992424
  H     16.06782512      4.86165412    -12.57420460
  O     19.06991270      7.85191691    -16.99000621
  H     16.72378411      7.98179168    -14.11744869
  H     14.70723640      4.15590415    -12.30091480
  O     16.68331408      7.11264680    -15.67556765
  H     17.45944764      9.05956176    -13.26444830
  H     15.79406794      6.44814942    -10.62053275
  O     14.03083439      9.99378950    -14.82617236
  H     15.87537231      4.18853556    -14.68510572
  H     14.33559365      5.99734511    -10.42920282
  O     12.84191087      8.94398987    -16.97780814
  H     15.50815341      4.19569812    -16.21143776
  H     14.48053769      8.50894894    -17.68054460
  O     19.69628052      5.46022780    -13.41839433
  H     12.93509228      5.25392410    -12.01788256
  H     15.72716114      7.85770692    -17.02211723
  O     15.36229020      4.33588304    -12.98328628
  H     12.27651653      4.32632123    -10.97421212
  H     14.33588797      8.09857118    -11.49214522
  O     14.93352180      6.74338133    -10.30160797
  H     19.91140131      8.01674863    -15.37516501
  H     15.16712865      8.60007606    -12.67044335
  O     15.38794516      8.23048671    -17.85165302
  H     20.02810220      7.25946494    -14.03299024
  H     19.34372976      9.55888438    -13.92269923
  O     14.25695173      8.56764944    -12.33383342
  H     13.64189836      4.96180380    -17.10640576
  H     19.27840378     10.86232017    -13.08819927
  O     18.76349332     10.29463609    -13.65468152
  H     13.60112496      3.58593847    -17.81418079
  H     16.70549309      9.36985578    -18.12307503
  O     17.51078921      9.91616731    -18.09894965
  H     19.06877604      4.74308364    -16.74258583
  H     17.49496933     10.46917653    -18.87572018
          69
 Energy    -248.67033752105314     
  O     -3.97211450     -0.58208743     -2.52312767
  H     -3.68427139     -1.50149675     -2.57959999
  H     -2.93139140      3.08358059      1.68859894
  O      0.55869002     -0.56521620      5.99051575
  H     -3.23521496     -0.09396744     -2.13336834
  H     -1.24224805     -0.39245308      6.75664697
  O     -6.39311308     -0.70147331     -1.27337425
  H      0.65337790      0.33310968      5.63931820
  H     -2.20650063      0.77372362      6.54074862
  O     -3.30697368     -3.37576606     -2.20066785
  H      1.33585717     -0.73071025      6.52044905
  H      0.29443024      2.56214347      3.20436741
  O     -1.99716812     -2.11507491     -0.06583119
  H     -5.54901443     -0.58196825     -1.74410394
  H     -0.81117324      3.20528934      2.32366679
  O     -4.40956588      3.43020323      4.47020200
  H     -7.07754392     -0.37222572     -1.84972945
  H     -4.32653273      0.96455455      1.12749348
  O     -2.99695229     -3.54932390      4.07069715
  H     -4.12855847     -3.47264173     -1.68561636
  H     -2.98593615      1.06068792      1.87786219
  O      0.61535965      2.12860572      5.12620319
  H     -3.25484068     -4.12729730     -2.78412220
  H     -1.47604605     -0.27558992      2.87672531
  O     -1.89963232      0.52074242     -0.93967085
  H     -1.98788728     -1.20253784     -0.39260474
  H     -2.75386291     -0.29288736      3.78741426
  O     -5.52688288      0.99706042      3.98950730
  H     -2.29521632     -2.66447147     -0.80050877
  H     -5.98027438     -2.53795311     -0.85253927
  O     -3.90337441     -1.06417206      5.02913155
  H     -5.08454582      4.01784232      4.79772633
  H     -5.15581010     -3.20779729      0.26116520
  O     -2.54961815      3.76599080      2.25819964
  H     -4.84999842      2.58276769      4.27541959
  H      0.19863463     -0.47854993      1.35804352
  O     -2.14829880     -0.11133086      6.92740205
  H     -2.07190232     -3.25332264      4.14647928
  H     -0.76231814     -1.67622883      1.17858198
  O      0.06236462      2.78605116      2.29894009
  H     -3.03113824     -4.43834464      4.41333659
  H     -2.85296841      2.72394815      5.14806059
  O     -3.46375775      1.39533405      1.10309145
  H     -0.34070219      2.26385479      5.25829946
  H     -2.06942096      1.55217107      4.51857989
  O     -2.16480993      0.27252447      3.26938676
  H      1.05448124      2.87724266      5.52360043
  H      0.41126044      1.71288545      1.00725871
  O     -5.51880455     -3.35450902     -0.62300101
  H     -1.00368313      0.75700418     -0.67341751
  H      1.43047584      1.28477365     -0.07447732
  O     -0.21174140     -1.21469471      1.82797265
  H     -2.48946194      0.91046176     -0.27388400
  H     -0.22852446     -2.20950659      3.35677513
  O     -2.07346844      2.16965224      5.26892816
  H     -5.08336748      0.26844833      4.44437599
  H     -0.12858201     -1.94864813      4.86734640
  O      0.59926038      1.04261706      0.32456697
  H     -5.75710869      0.65510003      3.11691907
  H     -3.37297628     -2.33789459      1.12208920
  O     -0.46764300     -2.57687265      4.21968634
  H     -3.72869432     -1.98916497      4.82231521
  H     -3.80658100     -2.92549292      2.49141730
  O     -4.13824442     -2.50196956      1.69188168
  H     -3.35894058     -0.82958199      5.79630434
  H     -5.20737976     -1.00156784      1.60417547
  O     -5.71940595     -0.20036909      1.41837548
  H     -3.15562681      3.81955258      3.00531391
  H     -6.08373293     -0.31012523      0.53158474
          69
 Energy    -248.67032787775355     
  O     -0.94957836      2.31895498     -1.79599166
  H     -0.23559317      1.72637115     -1.51862783
  H     -0.36197304      5.91951136      5.19903538
  O     -0.51348052      4.59897168     -0.15108519
  H     -0.76155172      3.16546273     -1.37196011
  H     -1.77596700      1.46482682      2.64962537
  O      4.16907153      1.82957522      2.36948381
  H      0.41992988      4.71031771      0.09815531
  H     -2.36006421      0.92691795      3.97933239
  O      1.38793254      1.63872148      1.91162199
  H     -0.84032890      5.47106133     -0.35844444
  H      1.00879697      0.08714899      4.61311128
  O     -3.17447493      1.36937835     -0.60742153
  H      4.36935302      0.93994265      2.04886317
  H     -0.23392865     -0.04183697      3.67721335
  O     -2.08181183      2.90317824      1.49856151
  H      4.36971225      2.44350778      1.65049539
  H      3.59628299     -1.14247318      1.46151336
  O      0.98673530      0.68312099     -0.66887954
  H      2.34515855      1.72865950      2.01768426
  H      5.11169987     -1.38801465      1.28136194
  O     -2.21393907     -0.85293715      0.88374773
  H      1.11682834      0.95220070      2.53559645
  H      3.70983849      2.50465887      4.05750936
  O      2.02953004      4.94477915      0.70565273
  H     -2.40649811      1.67398817     -1.12532408
  H      2.77872094      2.25487081      5.27138090
  O      4.35958767      3.41449006      0.04679305
  H     -3.94079937      1.46182662     -1.16637867
  H     -2.82591537      3.72510449      2.98201667
  O      0.06085804     -1.92073383     -0.10432631
  H     -2.57481162      2.41247742      0.82793208
  H     -2.30677087      4.51008747      4.20392628
  O     -0.64504939      5.06799552      4.87612590
  H     -1.47602739      3.48039876      1.01741295
  H      1.11709357      3.26696346      2.76129731
  O     -1.82160790      0.68213936      3.21722331
  H      1.06959496      1.05485475      0.22238509
  H      2.02302302      3.82022328      3.87869060
  O      0.69178437     -0.30302876      3.78857768
  H      0.70044525     -0.23243205     -0.56406163
  H      1.75154207      0.68647048      6.96164335
  O      4.43791130     -0.71684028      1.21667330
  H     -2.60665533     -0.17245252      0.32253598
  H      0.75533978      1.60695401      6.21807084
  O      3.26665167      2.94076066      4.79905042
  H     -2.14689813     -0.46044835      1.76359807
  H     -4.08961281      1.67789328      5.78914090
  O     -3.07758219      4.03814754      3.86197165
  H      2.82084161      4.45499506      0.45327146
  H     -3.29419937      2.63219052      4.86247567
  O      1.30166998      4.06360083      3.27768477
  H      1.90036018      4.79359455      1.65167068
  H     -1.54414985      2.24972704      6.11669777
  O      1.54039735      1.04158711      6.10194271
  H      4.14315705      2.58668019     -0.41955200
  H     -0.63066096      3.47175757      5.92266513
  O     -3.24274102      1.80094322      5.37004838
  H      5.09516728      3.80708229     -0.41600408
  H      2.78472810      0.87714624     -1.03986723
  O     -0.66559781      2.59267128      6.31889344
  H     -0.77875616     -1.59523750      0.26743834
  H      4.04526319      0.33255805     -0.34491284
  O      3.74379504      0.99029129     -0.98373043
  H     -0.15685696     -2.65286768     -0.67480067
  H      1.40707702     -1.95904479      1.21669797
  O      2.07436309     -1.82911868      1.90136111
  H      0.04138691      4.76004772      4.25880524
  H      1.61401215     -1.41479015      2.64402556
          69
 Ord_Energy   -248.670319    
 O   -3.63937712     -0.402478516       4.19571066    
 H   -4.00972557     -0.639138937       3.33504534    
 H   -4.36223269       2.69547999E-02   4.66796589    
 O   -3.23967910       2.96596503       1.99365187    
 H   -4.10846806       2.83279634       2.40126753    
 H   -3.30154991       3.76637030       1.45791864    
 O   -7.66724539     -0.683886886       1.54564309    
 H   -7.72594404      0.207646534       1.17783689    
 H   -7.80676079      -1.32248759      0.830477238    
 O   -7.33266497      -1.43677258       4.18827105    
 H   -7.63451433      -1.17972803       3.30404282    
 H   -6.83192682      -2.25057459       4.06207418    
 O   -1.48435414       1.10589135       3.22540331    
 H   -2.14172292      0.580952525       3.70342112    
 H   -1.95810211       1.88587379       2.90878487    
 O   -5.56853628      -1.61844146      -2.22830439    
 H   -4.98385143      -2.09138536      -1.61302567    
 H   -5.39356279      -1.97095871      -3.09802508    
 O   -1.87689495      -2.95796657       1.53989136    
 H   -2.50573897      -3.09245706      0.823077619    
 H   -1.45240152      -2.10936832       1.36333263    
 O   -6.06907845      0.782436371       5.08200550    
 H   -6.55961752      -1.76369604E-02   4.82090473    
 H   -6.36007643       1.00859034       5.96160221    
 O   -5.36700392       1.09690511      -1.40084338    
 H   -4.54812098       1.01759076     -0.887657166    
 H   -5.51966047      0.231014401      -1.79584801    
 O   -7.84409475       4.45186472     -0.176108897    
 H   -7.34408522       4.80815172      0.580566466    
 H   -8.60696125       5.01050663     -0.294607013    
 O   -3.26565933      0.780311048      0.322774619    
 H   -2.40499210      0.350131691      0.399972737    
 H   -3.23073506       1.57796705      0.871572733    
 O   -5.82280493       2.56870770       2.89942527    
 H   -6.33080387       2.23000002       2.14964366    
 H   -5.96306276       1.98139942       3.65170217    
 O   -3.00487161      -3.22607470       4.09496117    
 H   -2.52284622      -3.21263003       3.25401235    
 H   -3.07244992      -2.30396390       4.36923981    
 O   -5.52707529      -3.38083673       3.09337664    
 H   -4.68896627      -3.53386045       3.55629444    
 H   -5.38808155      -2.54469156       2.62930417    
 O   -6.22450972       5.18756199       1.87683356    
 H   -5.36930799       5.32893515       1.45146525    
 H   -6.12315845       4.38836575       2.41100097    
 O   -6.16204405      -4.68984127      0.779227376    
 H   -5.99657011      -4.34100056       1.67245650    
 H   -6.32396269      -5.62462282      0.875172436    
 O   -7.66908741      -2.55271769     -0.450467318    
 H   -7.26467657      -3.35082626      -8.76602605E-02
 H   -7.08020926      -2.24655151      -1.14995039    
 O   -7.22005415       1.82145834      0.556045055    
 H   -6.60609913       1.56051707     -0.145487294    
 H   -7.59199095       2.67342734      0.298300117    
 O  -0.813084602     -0.346366882       1.04448104    
 H  -0.951591313      0.152955577       1.87043500    
 H    9.98999923E-02 -0.224697784      0.798117161    
 O   -3.79849172       5.15299082      0.335066438    
 H   -3.29434776       5.86317396      -5.27532101E-02
 H   -4.29298115       4.72932673     -0.389106393    
 O   -4.19241428      -2.93079066     -0.217592597    
 H   -4.75715733      -3.67893505       1.92776304E-02
 H   -4.37154007      -2.25189447      0.449654430    
 O   -5.36363077       3.94552016      -1.53949559    
 H   -5.33808374       2.98932838      -1.66937923    
 H   -6.25995684       4.15184832      -1.24542964    
 O   -4.90579987     -0.971347809       1.68569267    
 H   -5.84806347     -0.766784906       1.60369778    
 H   -4.39086151     -0.297716260       1.22022367    
          69
 Energy    -248.67025593635498     
  O     20.02999370     12.53168593    -19.44571835
  H     20.38643903     12.17387148    -20.25409332
  H     20.64592929     16.57604429    -17.54184314
  O     18.68098654     17.33657785    -13.57815967
  H     20.78367441     12.87365785    -18.93029397
  H     14.65301650     13.10775360    -13.91726319
  O     22.72031757     12.66801977    -15.30389035
  H     19.61980249     17.29234055    -13.36906148
  H     13.22710225     12.57756857    -13.64638597
  O     16.01837890     14.21333102    -13.56873390
  H     18.54306371     17.65877801    -14.48279798
  H     22.28626580     15.71046032    -15.48002814
  O     16.40163339     13.39378251    -17.87413574
  H     22.77385766     13.60058835    -15.02485186
  H     22.17596002     15.63484808    -13.94087343
  O     16.15704236     10.50569970    -13.76360475
  H     23.50088203     12.23468724    -14.97064548
  H     18.75052980     12.26170394    -13.74650520
  O     14.44737127     11.73237869    -16.89459632
  H     16.75086990     13.59009604    -13.45091946
  H     17.44703418     11.62303200    -13.19547564
  O     21.99514679     13.55652346    -17.93284120
  H     16.16643552     14.93505957    -12.94497680
  H     16.66440439      8.92848916    -16.90222481
  O     16.86205418     16.27505719    -11.88522058
  H     17.13571535     12.80118616    -17.66370639
  H     17.26034801     10.35176570    -16.83210194
  O     19.93091382     12.40142224    -15.12788864
  H     15.59843012     12.90039853    -17.65449669
  H     17.26567093     17.16637062    -16.16875987
  O     18.34265032     14.85498960    -19.30191447
  H     15.33939559     11.01488267    -13.82053827
  H     18.39458764     17.81390637    -16.98384537
  O     21.09791779     16.00972840    -16.90587600
  H     16.31340959     10.16785434    -14.65437194
  H     21.58356422     16.60150853    -11.77674174
  O     14.02361465     12.40225900    -14.14113509
  H     14.19699495     11.97766017    -15.99519454
  H     20.48612257     15.60189602    -12.20417360
  O     22.67774456     15.30292385    -14.69550150
  H     15.03734902     10.97356251    -16.80171954
  H     18.86515013     13.71518284    -12.05204766
  O     18.06128662     12.36239592    -13.07620957
  H     22.33333506     13.14254011    -17.13099304
  H     18.37583174     15.08417223    -11.55011231
  O     16.53867989      9.78790683    -16.50763265
  H     21.74274043     14.45450542    -17.67660288
  H     19.01269412     11.77732463    -18.10238160
  O     17.91331603     17.88569032    -16.15181782
  H     16.47449198     16.93657918    -11.31893140
  H     19.01228463     11.79522984    -16.54719194
  O     21.11202749     16.26977806    -12.53727951
  H     17.46322327     16.74148664    -12.49441082
  H     19.06602239     15.60331076    -14.49840037
  O     19.17016581     14.55249205    -11.67848090
  H     20.89456043     12.37036353    -15.13260408
  H     18.23840992     15.09013369    -15.67635875
  O     18.48627591     11.55555029    -17.32384227
  H     19.67895888     13.33851368    -15.16781229
  H     19.30232983     17.85995783    -19.38950173
  O     19.09633150     14.99177102    -15.24122822
  H     17.54003510     14.45779131    -18.94072160
  H     18.92128232     16.44876256    -18.88641847
  O     19.29475772     17.30636488    -18.61341530
  H     18.94799636     14.11857712    -19.44765702
  H     16.20987007     15.05503256    -15.21070248
  O     16.48356447     15.44932121    -16.04954821
  H     20.39726937     15.64699970    -16.34347803
  H     16.35621819     14.77714887    -16.73359164
          69
 Energy    -248.67022359295990     
  O     11.93232073     10.14654559    -10.91259531
  H     12.26751933     10.67763064    -11.64476799
  H     15.40833149      5.81349037    -16.93421996
  O     13.68997603      7.10409376    -14.82053286
  H     11.44078458      9.41942958    -11.31588679
  H     17.26085325      6.16776604    -15.56765618
  O     17.86797288     11.27318958    -11.40065443
  H     14.46622466      7.66358139    -14.66075119
  H     17.26610950      7.04767562    -16.84929294
  O     17.35776687      8.80084434    -17.61358417
  H     13.86849206      6.57105958    -15.60363247
  H     14.37207738     13.13980205    -15.99748178
  O     11.81861300      9.08493428    -14.56262018
  H     16.95921670     10.96160645    -11.55733615
  H     13.96801238     11.64923673    -16.11639024
  O     16.40599492      7.03011440     -9.73114405
  H     17.80037142     12.08338740    -10.90249808
  H     16.45681904      7.83607698    -13.90364479
  O     13.42449733      6.45457847    -12.15827943
  H     18.00713177      9.11951175    -18.23573868
  H     15.75532046      9.07394836    -13.24030042
  O     15.40589463     10.22920704    -11.88177626
  H     17.22568796      9.50850326    -16.96137997
  H     20.63348911      7.71023388    -13.10745612
  O     14.51827504      8.48174259    -18.04934538
  H     11.27995627      8.72917312    -13.84790635
  H     19.48629459      8.72247386    -13.34215924
  O     15.94209907      5.20123591    -11.62006904
  H     12.45545028      8.38172523    -14.76551757
  H     10.19617879      7.20596671    -11.90945292
  O     16.80505434     10.59847136    -15.61898125
  H     17.16624360      7.60371205     -9.90899494
  H     11.72559421      7.21468856    -12.10607805
  O     14.45469040      5.75476591    -17.12944637
  H     15.62757775      7.59771463     -9.67727074
  H     18.33301406     10.51846414    -14.49374488
  O     17.04416256      6.17172205    -16.50910546
  H     14.19253017      5.91266571    -11.94134044
  H     18.68490378     10.76339042    -13.01177779
  O     14.52453313     12.27855389    -15.61812641
  H     13.49287708      6.63041446    -13.10932489
  H     18.27878158      6.75821596    -13.39520288
  O     15.85697429      8.57741785    -14.06284440
  H     15.02426817      9.62933756    -11.22657343
  H     17.01535655      5.90749879    -12.99426856
  O     19.69764049      7.84237018    -12.98092659
  H     14.66803748     10.63394706    -12.35997583
  H     19.00099179      8.29396791    -11.24804570
  O     10.92584756      7.75930012    -12.17855328
  H     14.38491347      7.54761961    -17.85215817
  H     18.37483335      9.56718499    -10.66526770
  O     18.99222464     10.32482494    -13.81647428
  H     15.47218021      8.61696458    -18.01108094
  H     12.40619029      9.99056122    -16.19299842
  O     17.45746440      6.36456046    -13.72062038
  H     16.06500330      4.32194229    -11.27207031
  H     13.47687473      9.74744824    -17.29318995
  O     18.52729414      8.63338811    -10.47971235
  H     16.15225664      5.82220826    -10.89676893
  H     13.82470267      7.77874193    -10.88128056
  O     12.99214325     10.43654074    -16.81414160
  H     16.43880061      9.86486665    -15.09757906
  H     13.29303930      9.09874698    -10.27564360
  O     14.03752672      8.48001221    -10.25031677
  H     16.11727639     11.27322581    -15.65221864
  H     13.66183275     11.68343346    -14.02049280
  O     13.25243499     11.16328537    -13.31860753
  H     14.31802393      4.94403893    -17.61070009
  H     12.75971431     10.45786894    -13.76254190
          69
 Energy    -248.66977960292843     
  O     17.47122386     10.52657533    -18.04640456
  H     17.86274944      9.85643921    -18.61996114
  H     18.51158101      6.32766112    -12.46869216
  O     15.58097053      5.91211008    -13.11499678
  H     17.33684298     10.08425289    -17.19195639
  H     19.93580946      9.04290272    -17.72194001
  O     16.81997337     13.43854315    -12.27225157
  H     16.39003189      6.01140206    -12.57867792
  H     20.23344236     10.43111229    -17.10525316
  O     20.95706124      8.62333088    -14.57024640
  H     15.19608980      5.07248299    -12.87890350
  H     16.22526751      9.36173982    -15.35823050
  O     16.40711120      7.09819055    -18.20450161
  H     15.88717833     13.52367261    -12.50560653
  H     17.72048953      9.53393183    -14.92369878
  O     14.19513269     11.03910703    -11.33714439
  H     17.28409453     13.25604966    -13.09912930
  H     15.77116047     11.19625369    -18.20853519
  O     14.82635830      8.57516189    -12.58802536
  H     21.89603827      8.60709436    -14.40423159
  H     14.83074201     11.86911943    -17.19889008
  O     17.90942286     12.49801254    -14.71706251
  H     20.83894611      8.89632807    -15.49722173
  H     16.47011560      9.00168358    -11.88942437
  O     19.43304816      6.25645870    -14.02631258
  H     16.56931058      6.68634340    -17.34390124
  H     17.22545804      9.99101174    -10.96373744
  O     14.44153897      9.60228174    -15.09518462
  H     15.61909835      7.64254049    -18.09596849
  H     14.27479849      9.73993595    -17.96745561
  O     17.00893865      6.44954921    -15.55259779
  H     14.27342597     10.13956215    -11.67959650
  H     13.25674824      8.60944782    -18.24788245
  O     17.85362338      6.41524480    -11.76144815
  H     14.99487899     11.19833811    -10.82036574
  H     17.04271153     12.04820376     -9.41786454
  O     20.49932945      9.50465519    -17.08968721
  H     14.61068759      8.92947398    -13.46365789
  H     16.87707671     12.30384238    -10.93527428
  O     17.14156266      9.22275904    -15.63142881
  H     14.95176354      7.62556803    -12.70656237
  H     19.60864912      9.63600880    -13.82319286
  O     14.83972610     11.40509286    -18.04599070
  H     18.25366871     11.71431231    -14.26076410
  H     18.38476619      9.77523842    -12.84413148
  O     17.33966220      9.20704069    -11.51539227
  H     18.45368503     12.59318900    -15.50628687
  H     14.01416037     12.41230025    -12.39748003
  O     14.06171166      8.80899891    -17.77607080
  H     19.98324930      7.01285741    -14.25935237
  H     13.29284492     13.74065747    -12.73075809
  O     16.77796838     11.63446123    -10.23485498
  H     18.71716809      6.22699908    -14.67356148
  H     16.10132494     12.34577175    -15.17820503
  O     18.81033216     10.14353939    -13.63129839
  H     14.18879292      9.25263474    -15.95893377
  H     14.69796982     12.67301434    -14.60156016
  O     14.04309789     13.20224558    -12.96717092
  H     14.58579924     10.55553619    -15.18937686
  H     18.65843451     11.73038243    -17.55319574
  O     15.15307769     12.26779594    -15.35140357
  H     16.44851727      6.23174563    -14.79796867
  H     19.65985308     12.88563866    -17.79083753
  O     19.38661975     12.23414727    -17.14918400
  H     17.09814261      7.41511066    -15.56778475
  H     17.91245642      7.79215606    -18.76849490
  O     18.71086896      8.27182425    -19.05488005
  H     17.82729549      7.34897453    -11.52056561
  H     19.02323850      7.83324261    -19.84147248
          69
 Energy    -248.66964432491682     
  O     12.90695893     13.12549290    -13.71342602
  H     12.56987511     12.30085633    -14.08259349
  H     17.60695742     11.39035072    -16.04447870
  O     17.69966854      7.04679679    -14.43289767
  H     13.38757129     13.55670999    -14.43091894
  H     14.68447263      8.68478160    -17.83938175
  O     19.65443500     11.51988493    -13.14022381
  H     17.06904743      6.42671110    -14.04792156
  H     13.15187850      8.71469302    -17.68524671
  O     16.83052200     14.25902540    -14.47871333
  H     17.32469378      7.32435176    -15.27705146
  H     16.97051999     10.25305821    -13.13186777
  O     15.60223184      5.57695772    -13.15792047
  H     19.36705421     10.59535807    -13.11454152
  H     16.30415767     11.64544333    -12.88120214
  O     16.97677440      9.65792811    -10.30817700
  H     19.45323189     11.85065165    -12.25842183
  H     13.13947494     10.94493521    -15.63446109
  O     15.35900996      7.53708620    -11.30714533
  H     17.53421764     13.77161820    -14.92499738
  H     12.08411626      9.84474475    -15.42099043
  O     13.85092205     13.49027985    -11.20555111
  H     16.05036399     14.21732119    -15.04396317
  H     17.94648021      9.02038761    -11.89205775
  O     11.95695651      8.11194813    -16.25338858
  H     15.59009334      4.70021219    -12.78455181
  H     18.15504075      8.33855712    -13.30269724
  O     16.11564699      8.16339248    -16.58463979
  H     15.56082187      6.20420146    -12.41281314
  H     14.75305882      9.94986318    -13.03565366
  O     14.10364607      7.35480841    -14.71457963
  H     16.10340739     10.07862884    -10.26447428
  H     13.28364721      9.89573584    -13.51627689
  O     16.81726007     10.83933899    -16.00658928
  H     17.60670460     10.38692536    -10.26014603
  H     15.63296815     13.43995291    -11.66743044
  O     13.88378679      9.11154005    -18.17199884
  H     14.72981358      8.14086865    -11.71914474
  H     16.65482816     13.71920284    -12.82452729
  O     16.21628330     10.81460443    -13.36319996
  H     15.96592507      8.10191982    -10.81345563
  H     19.72336823     12.88611418    -15.98683277
  O     12.48146235     10.61793750    -15.00332000
  H     13.46531105     13.36639622    -12.09161406
  H     19.23252702     12.24642136    -14.66826403
  O     18.33008074      9.12837088    -12.77002440
  H     13.32685951     14.15542237    -10.76773561
  H     17.80919629     12.57503958    -10.99199612
  O     13.90824346      9.48602897    -12.90321130
  H     12.67368359      7.71261861    -15.73132171
  H     18.83890112     12.66976605     -9.84282083
  O     16.52698163     13.25761801    -11.98055943
  H     11.27026185      7.45416932    -16.32791542
  H     14.09957044     10.78754407    -17.52619287
  O     18.93713943     12.61514196    -15.52062337
  H     16.42172690      9.06548476    -16.41171964
  H     15.24762348     11.34019319    -16.65349188
  O     18.52171599     12.09453949    -10.53466161
  H     15.43294270      7.95565237    -15.93169996
  H     14.01355963     10.35715194    -11.14986008
  O     14.33658515     11.51526500    -16.93419349
  H     14.05483604      8.07023830    -14.06566808
  H     14.21235799     11.74119639    -10.53368842
  O     14.42498297     10.80914577    -10.40425258
  H     14.53963892      6.61456426    -14.27400655
  H     14.08414468     14.71958950    -16.60732340
  O     14.37938024     14.06845969    -15.97518067
  H     16.54742944     10.84234939    -15.07452360
  H     14.32811540     13.20524043    -16.41960494
          69
 Energy    -248.66933950306839     
  O     10.13139155     11.05319533    -12.76179092
  H      9.41582697     11.49110699    -12.30870666
  H     18.22255746      7.40158740    -15.38990285
  O     16.20798787      9.35498405     -9.79147829
  H     10.15211515     10.13759110    -12.42974999
  H     14.63624585     12.27970396    -13.88200595
  O     19.34274578     10.23457280    -15.81282590
  H     15.51660087      9.66797755    -10.40006355
  H     15.31120533     12.00611859    -15.23274987
  O     12.97200187      9.77535622    -15.39477329
  H     16.11003733      9.85856951     -8.98678274
  H     15.24116896      9.18357073    -12.94402355
  O     15.11841425      6.71398327    -10.27868592
  H     19.36719175      9.29214895    -15.56401294
  H     16.60817950      9.49388829    -13.58133855
  O     13.01542323      7.16867625    -14.28425154
  H     20.22602697     10.47437448    -16.07927199
  H     10.08835072      7.89380371    -12.83390822
  O     14.21993948      9.93319353    -11.57650389
  H     13.67211222     10.11303807    -15.96649076
  H     11.06563845      8.12073917    -11.67367211
  O     17.04304951      9.67870665    -17.40755089
  H     13.19943047      8.89018978    -15.08377104
  H     16.32065349      7.19025096    -12.91291220
  O     15.01940920      5.20477523    -14.68099395
  H     15.54746868      7.52029661     -9.96767634
  H     17.51361246      6.29444321    -12.52760021
  O     17.74390933     10.90113546    -13.57973577
  H     15.65064907      6.41110502    -11.02591790
  H      9.52721521      6.61164896    -15.05643947
  O     16.36604950      7.43189087    -15.88488603
  H     12.08869881      6.97198198    -14.48051121
  H     10.13851288      8.03023016    -14.96499927
  O     19.11873246      7.63329543    -15.11508570
  H     13.56118492      6.40641041    -14.50918941
  H     18.36508158      9.96930164    -12.09060315
  O     15.48899761     12.30159037    -14.33039215
  H     13.74965425     10.60799672    -12.08224409
  H     17.79948015      9.32760113    -10.80386685
  O     15.90691362      8.82872630    -13.54401487
  H     13.62965333      9.17105117    -11.48524150
  H     20.02383690      6.56095673    -11.89567833
  O     10.22492324      8.42664433    -12.04230736
  H     17.86301404      9.94464426    -16.97406690
  H     19.05623593      7.76671766    -11.99200027
  O     16.55936845      6.28108765    -12.67092351
  H     16.81489598      8.81234145    -17.04239274
  H     15.66558731     10.66413294    -17.13042492
  O     10.22459117      7.11386920    -14.64410887
  H     15.57980387      5.46529073    -13.92907969
  H     14.63122282     11.68364118    -17.66353260
  O     18.54971362      9.30701792    -11.41077365
  H     15.07075406      4.25483851    -14.74627602
  H     12.93726282      7.37043242    -12.45092284
  O     19.26495653      6.89109765    -12.36811046
  H     18.31075359     10.81543030    -14.35616127
  H     13.52900946      7.14961251    -11.01642847
  O     14.87313942     11.17642484    -16.89301475
  H     17.01569084     11.50229884    -13.79987325
  H     12.92492686     10.97606067    -14.04632594
  O     12.81190086      7.57049565    -11.51230478
  H     16.12483407      7.98954609    -15.12787642
  H     11.93221478     11.58754971    -13.04467010
  O     12.86292940     11.59154048    -13.29924051
  H     15.92119599      6.59147846    -15.73915837
  H     10.03539207     10.29098359    -14.56169986
  O     10.19528922      9.74025479    -15.33729501
  H     19.21936212      7.33031336    -14.20485511
  H     11.14496485      9.81795515    -15.51273472
          69
 Ord_Energy   -248.669174    
 O    4.51559258       3.86574554       11.1252737    
 H    4.94925880       3.07827711       11.5029497    
 H    3.97574782       4.24489450       11.8131695    
 O    6.98423862       2.27896261       4.37460613    
 H    7.64553452       2.52837157       5.03141069    
 H    6.58685493       1.46892476       4.72839832    
 O    9.17031860       5.49829789E-02   7.14998960    
 H    9.46594715     -0.189335570       8.03433895    
 H    8.91750050     -0.776662111       6.73158836    
 O    2.41544724      0.427729905       9.67142963    
 H    2.85742021       1.24386728       9.41013241    
 H    2.95425391       4.50246111E-02   10.3741226    
 O    8.43963051      -2.56688333       6.26732159    
 H    8.93677235      -3.10405278       5.65655899    
 H    7.51526403      -2.57960248       5.96118259    
 O    5.62413645      0.292371690       5.77971315    
 H    4.74070740      0.681360602       5.78271389    
 H    5.93837214      0.358421117       6.69227934    
 O    9.68674278     -0.725307524       9.89584446    
 H    10.4455442     -0.689339459       10.4720459    
 H    9.10404205       1.01316599E-02   10.1505651    
 O    3.71738172      -3.02674174       7.33666801    
 H    3.12533760      -3.77221918       7.28652334    
 H    3.17219305      -2.22687364       7.22002888    
 O    4.23134327     -0.777885675       11.5480185    
 H    3.97063088      -1.39726591       12.2252817    
 H    4.63823414      -1.29927850       10.8343697    
 O    7.96173811       1.35544395       10.2604923    
 H    7.33299923       1.09929657       9.56646729    
 H    8.34984112       2.20202661       10.0067005    
 O    2.28429222     -0.755538642       7.16698265    
 H    2.21898198     -0.410823256       8.07056808    
 H    2.43338799       1.09783802E-02   6.60438251    
 O    5.71627760       1.61204696       11.9554815    
 H    6.55634832       1.49102128       11.4938869    
 H    5.23382759      0.779669106       11.8779325    
 O    8.98542500       3.82852292       9.39637280    
 H    8.16813946       4.34583473       9.51346302    
 H    9.70812225       4.39118195       9.66035557    
 O    6.59308577       5.07484436       9.55856133    
 H    6.27745676       4.85405445       8.67088890    
 H    5.91105032       4.76858473       10.1678944    
 O    8.33018780       2.65793300       6.86257029    
 H    8.61055183       1.73097062       6.92657280    
 H    8.71043873       3.10951853       7.62375879    
 O    5.96818399      0.542566061       8.54260254    
 H    5.70295238     -0.347371131       8.81365299    
 H    5.22542524       1.13765705       8.69828033    
 O    5.85103989      -2.45760298       5.53271389    
 H    5.12784958      -2.76976252       6.08823109    
 H    5.74091959      -1.49694490       5.48043537    
 O    4.68294954       3.69495678       4.56359339    
 H    4.51248693       4.26925039       3.82233810    
 H    5.51112986       3.21848559       4.36872149    
 O    3.20330501       1.74036682       6.03675747    
 H    3.54473567       2.43564510       5.45915604    
 H    3.28255987       2.07522416       6.93869829    
 O    7.91354895      -2.78191805       9.04801464    
 H    8.11785412      -2.81534457       8.10428047    
 H    8.55208397      -2.16651654       9.42879200    
 O    5.32973433      -2.03264356       9.40198612    
 H    4.78192806      -2.44608569       8.72346210    
 H    6.23307562      -2.37670064       9.32028008    
 O    4.00388956       2.61220598       8.69619274    
 H    4.64539671       3.05941486       8.12139320    
 H    4.05302715       3.06988239       9.54644489    
 O    5.83875656       3.89721203       7.12827682    
 H    6.65962505       3.39720321       7.00569773    
 H    5.43719292       4.00063181       6.25804329    
          69
 Energy    -248.66905428513576     
  O     12.20794705     11.36155498    -16.02622045
  H     11.58426091     10.92841630    -15.42131557
  H     18.28569291      9.25315698    -12.72120686
  O     15.35610602      7.81783994    -13.39297566
  H     12.55503336     12.14841351    -15.58920233
  H     13.46937887     10.26153509    -14.92924778
  O     16.17927386     11.47465672    -11.08707412
  H     14.95474398      8.62084937    -13.76206187
  H     14.98328900     10.25514816    -15.19941209
  O     16.26284291     12.75356862    -15.23690306
  H     15.98195172      8.10293499    -12.71374599
  H     11.08305860      9.93473759    -13.27560878
  O     13.56277612      7.62314999    -16.77162843
  H     15.31261296     11.63267776    -11.48802556
  H     11.03218981      8.94027826    -14.45844473
  O     12.43337457      9.70296590     -8.81953113
  H     16.82904341     11.87045292    -11.68191834
  H     16.40724019      7.01398530     -8.42212249
  O     12.86855882      7.29931204    -12.37215444
  H     16.25975267     12.02412834    -15.87189430
  H     15.15505499      7.38057466     -9.25439422
  O     13.76098944     11.70963047    -12.42210658
  H     15.34647165     13.02478880    -15.11684189
  H     11.04337661      6.51963218    -15.25886243
  O     16.31159500      7.70441291    -16.02881958
  H     13.48179340      8.40837852    -17.32514232
  H     12.32877072      7.31833816    -15.56382423
  O     13.46412068      7.13257030     -9.61996028
  H     14.50775344      7.52230305    -16.59740012
  H     17.33574441     12.55160887    -13.87970721
  O     18.98853720      8.09266535    -15.69903982
  H     12.00720914      9.96285582     -8.00744821
  H     18.56680557     13.09310469    -13.11828135
  O     18.75276099      9.65945134    -13.46267158
  H     13.35847922     10.00263539     -8.76057039
  H     16.70994421      9.72640927    -11.27866099
  O     14.32213816     10.09433337    -14.51358413
  H     12.35465380      7.13356294    -13.17113601
  H     16.80414256      8.33715342    -10.59727387
  O     10.88362232      9.86386955    -14.21722336
  H     13.78882190      7.36953714    -12.66824374
  H     15.51428924      9.47053432     -8.72113122
  O     16.06556913      7.65319131     -9.04120271
  H     13.05929424     11.18275127    -12.01760312
  H     15.51086529     10.84134845     -9.42902719
  O     11.61867634      7.19547988    -14.90924450
  H     14.10386896     11.15243901    -13.14081077
  H     15.19486367     10.37159006    -17.35730744
  O     17.91044089     12.40095778    -13.10870597
  H     16.04505227      7.59697208    -15.10504645
  H     16.22045935      9.49100820    -16.59603074
  O     17.01115690      8.81575565    -11.40906172
  H     17.28049646      7.71915228    -16.02173528
  H     11.94989038      9.83814406    -10.60053059
  O     15.07616477     10.33090380     -8.73426351
  H     13.19873733      7.03741296    -10.54425420
  H     12.27378298      8.96378499    -11.83454423
  O     15.94667515     10.40623822    -16.75101313
  H     12.99354279      7.90535649     -9.28442849
  H     13.53561722     12.95951942    -13.70315420
  O     11.91825111      9.82365461    -11.56524181
  H     19.90060736      7.83548409    -15.79869173
  H     13.23222231     14.33446644    -14.34055445
  O     13.49447225     13.44045062    -14.54691015
  H     18.95461187      8.66644621    -14.91422976
  H     13.11464294     10.41384554    -18.95929827
  O     13.47384447     10.16923794    -18.11068685
  H     18.54748712     10.59933421    -13.41144094
  H     12.95108338     10.63750992    -17.43581879
          69
 Energy    -248.66892532505705     
  O     18.59961458      9.86409654    -14.61006257
  H     17.86169315      9.78399563    -15.22756475
  H     18.37389812      3.32895305    -14.54668771
  O     21.13280173      7.50513630    -12.46679613
  H     18.22494342      9.76364177    -13.72848157
  H     15.89893126      9.38240257    -13.21831776
  O     13.25685761     10.60105603    -12.09702217
  H     20.81609646      6.58933945    -12.46208170
  H     15.42157351      9.49336642    -14.69086804
  O     16.30385011      9.48345118    -16.28199646
  H     21.13907723      7.79265392    -13.38658366
  H     18.37732126      6.07025118    -12.83165739
  O     12.28011953      8.04209484    -11.22212800
  H     12.92800634     11.44515018    -12.39533088
  H     17.56742657      7.40794384    -12.81453462
  O     19.00883842      3.92436330     -9.95802199
  H     13.85217228     10.27113238    -12.79090758
  H     14.40887068      7.76603881    -13.34845811
  O     15.52111733      6.12702300    -10.69990021
  H     16.37326263      8.53716454    -16.50534289
  H     14.45160544      6.24898683    -13.64601326
  O     19.87138397      5.05080316    -12.38356207
  H     16.11459438      9.94521654    -17.09401832
  H     18.58861864      7.22663330     -9.91093552
  O     16.57939045      3.56947356    -11.39952143
  H     12.75141642      7.51156663    -11.88071027
  H     17.23919564      6.45459026    -10.03367670
  O     16.61133044      2.76879120    -13.98780119
  H     12.40927689      8.95820683    -11.49656046
  H     18.59153930      6.47312983    -14.90419000
  O     20.86130770      8.44232655    -15.15786301
  H     19.40437732      3.55367195     -9.17462574
  H     19.81778865      6.93867763    -15.69884252
  O     19.27362475      3.65947971    -14.65979619
  H     18.72503380      4.83057283     -9.73344148
  H     14.60887694     10.15494914    -10.78199768
  O     15.11226691      9.43894247    -13.77756052
  H     14.97049939      6.50103047    -10.00068509
  H     14.93533882      9.04418498     -9.77055225
  O     17.70189921      6.58551877    -13.29507748
  H     15.10633248      6.39567027    -11.52991459
  H     20.14389135      9.23075562    -10.02783500
  O     14.10644567      6.90681426    -13.02697881
  H     19.68038982      4.55777350    -11.57800637
  H     20.22416460      8.29167282    -11.25982347
  O     18.11365423      6.44090721     -9.62077582
  H     19.76737599      4.45481684    -13.14075863
  H     16.34542305      5.75896697    -14.13272382
  O     19.08419346      6.31398586    -15.72418821
  H     16.13652957      4.38769241    -11.14111193
  H     15.83845646      4.36166931    -14.53941144
  O     15.33940926      9.72783150    -10.31833140
  H     17.39454797      3.53821635    -10.88458234
  H     17.49897088      6.64664988    -16.64034225
  O     19.61561850      8.69811403    -10.61563825
  H     16.59349045      3.01356870    -13.04421307
  H     16.08216203      6.27054455    -16.18752933
  O     15.64476996      5.30244026    -14.62711608
  H     16.31214068      1.86539177    -14.04295172
  H     13.18400562      7.75446439     -9.74486846
  O     16.56561938      6.85783163    -16.78319663
  H     21.48754845      8.98139576    -15.63361071
  H     13.36157109      7.53837335     -8.22071537
  O     13.84328655      7.63684490     -9.03693308
  H     20.08398847      9.00205814    -14.98155290
  H     16.66006224      9.36010713    -11.40247355
  O     17.34208931      9.16824826    -12.06680064
  H     19.21972257      4.44514371    -15.21972936
  H     18.17522593      9.09459227    -11.58047640
          69
 Energy    -248.66798790883232     
  O      9.12063312      9.76243400    -11.67575472
  H      8.28539962      9.36515648    -11.90884805
  H     11.40104642     11.94097101    -12.90620011
  O     13.89471526     10.87698058    -18.03634071
  H      9.52706915     10.04186125    -12.51070346
  H     16.25423404     12.87746273    -12.34582485
  O     13.86371238      7.91814693    -12.22279066
  H     13.40430160     11.67786516    -17.77416709
  H     15.57494833     11.54982216    -11.91485025
  O     14.68305764     10.69188773    -15.34532102
  H     14.31492930     11.06735862    -18.87021619
  H     16.19036599     10.07757075    -14.44366646
  O     12.97210353     10.46383707     -9.00086871
  H     13.63957507      7.76405544    -11.29597603
  H     16.93417552     10.62153075    -13.21647045
  O     12.46546849     12.94843246    -17.02202620
  H     14.80218848      7.70399144    -12.32204910
  H     17.26234301      6.95878814    -12.63601913
  O     12.64462297      9.01616546    -14.46302750
  H     14.55998749     10.69687373    -16.30303786
  H     16.79066557      8.40757388    -12.90983647
  O     16.31707910      8.59008204     -9.66087273
  H     14.42642273     11.56774892    -15.02562166
  H     14.90462037     14.52399470    -12.04635311
  O     13.98699056     10.67734171    -11.61702279
  H     12.08624166     10.76129575     -9.26371339
  H     15.94064904     15.41845977    -12.77366756
  O     13.72234483     14.19027149    -10.81350317
  H     13.45067974     11.22760560     -8.65638823
  H     10.24285654     11.01992511    -14.76889507
  O     13.52846644      7.82778303     -9.41247619
  H     12.86575833     13.17870972    -16.17285075
  H     11.24191358     10.06965416    -14.05235307
  O     12.03917485     12.43729394    -12.37427697
  H     11.59345500     12.58298598    -16.82868027
  H     14.70726904     13.17679935     -7.64969832
  O     16.43479589     11.97427543    -12.06327827
  H     13.38323884      9.57907644    -14.73897030
  H     15.32713578     12.25742518     -8.73286451
  O     16.88975741      9.86190795    -13.81346255
  H     12.96685735      8.47607803    -13.73042363
  H     14.40522847     13.75016718    -14.07280831
  O     16.63346124      7.61898623    -12.35875670
  H     15.43479197      8.25064922     -9.47346989
  H     13.07239577     13.01944159    -13.81669089
  O     15.52195163     14.56262345    -12.80005516
  H     16.53903049      8.25602221    -10.53835299
  H     10.56868350     10.62990638    -16.83593810
  O     10.52390529     10.70373121    -13.90200178
  H     13.74695925     10.62181866    -10.68223310
  H      9.29128865     11.45765651    -17.12498291
  O     14.51548653     12.73173187     -8.47072736
  H     13.99062801      9.77195883    -11.94975899
  H     16.77541866     11.61915341    -10.25239629
  O     13.73066961     13.20661380    -14.49844184
  H     13.94390923     13.71407921    -10.00324494
  H     16.58335481     10.37462594     -9.36133288
  O     10.06556062     11.42141096    -16.56966109
  H     12.99398707     13.71658765    -11.23152710
  H     10.03502770     10.78486429    -10.46015585
  O     16.63534736     11.34106355     -9.33809002
  H     13.10431846      7.25422725     -8.77959152
  H     10.98038118     11.95835570    -10.73412669
  O     10.64158795     11.40181477    -10.02533675
  H     13.28163685      8.73810793     -9.17369661
  H     12.46042098      9.69207193    -17.54568260
  O     11.68326076      9.30768333    -17.12016891
  H     12.73488149     11.80387575    -12.12849156
  H     11.97908616      8.99578771    -16.25437389
          69
 Energy    -248.66788240181586     
  O      0.00926726      3.21222488      3.88599583
  H     -0.28360530      3.74882006      3.13676429
  H     -1.17637397     -2.92471120      5.04601471
  O     -1.93575810      1.29984943      4.33611479
  H     -0.71840279      2.60121591      4.07245651
  H     -1.99132560     -0.96843405      1.99948789
  O      1.24216426      2.30853226      6.27089804
  H     -1.71363449      0.70621194      3.60105137
  H     -0.46122228     -0.63601387      2.16533775
  O      2.07432167     -1.12157902     -0.46362580
  H     -2.88752717      1.44222321      4.28523715
  H     -2.69202834     -2.96708475      1.80672931
  O     -2.02416058     -0.59020588     -1.27603786
  H      0.60726081      1.62292830      6.51151664
  H     -3.70022109     -2.08986313      2.64338542
  O     -4.24111988     -1.50191476      4.19421274
  H      0.84040358      2.80089946      5.54160142
  H     -4.50535742      1.42919773      2.80765128
  O     -4.63743654     -0.91923660     -0.20887449
  H      2.74330705     -1.52538785     -1.00868378
  H     -5.40053604      1.87706507      3.98596664
  O     -1.32816098      1.74892255      0.33072472
  H      1.26761922     -1.66176948     -0.55992851
  H      1.67773642     -1.08110326      1.34416571
  O      1.37091373      1.64573241     -0.07125491
  H     -2.96038726     -0.70351532     -1.07211205
  H      1.58407430      0.07737812      2.36704906
  O     -2.35723212     -2.03272519      6.28289027
  H     -1.78254617      0.27209006     -0.92094322
  H     -0.89880711     -1.91121704     -0.76756948
  O     -1.13895741     -3.94412003      1.90467561
  H     -3.65209734     -1.63236516      4.94720411
  H     -0.53399627     -2.98692408      0.30493955
  O     -0.48084602     -3.21062499      4.44221179
  H     -4.43967871     -0.55885474      4.14637580
  H      2.65437628      1.49334553      5.64236826
  O     -1.35600130     -0.27321338      2.20373883
  H     -4.22149187     -1.46635644      0.48179774
  H      4.16471817      1.15832899      5.60035506
  O     -3.34101504     -2.25520654      1.75641297
  H     -5.40380063     -1.39511616     -0.51682567
  H      0.19746401     -0.43031826      5.82212895
  O     -4.65807612      1.32183863      3.76366301
  H     -0.39395590      1.78341698      0.06802201
  H     -1.04302309      0.50103497      5.63907097
  O      1.34953661     -0.85280409      2.22138907
  H     -1.38285709      1.05674337      1.00823272
  H      2.28351735     -0.66263627      5.12065442
  O     -0.20486766     -2.51861135     -0.46835975
  H      1.75911178      1.82204127      0.79505943
  H      1.49116982     -1.23808462      3.94041607
  O      3.33131630      0.96721264      5.17887516
  H      1.65501918      0.75544876     -0.31507037
  H      2.67513948      1.54392436      3.45831252
  O     -0.52055235      0.01399118      6.29657976
  H     -2.55814166     -2.38094322      7.14836909
  H      1.37324133      2.29419043      3.09260354
  O      1.56743799     -1.27236581      4.90733499
  H     -1.73579527     -1.29790159      6.41535412
  H     -3.28785736      1.79949626      0.74532796
  O      2.08868571      1.75694790      2.72236018
  H     -0.85647840     -3.68992773      2.80078341
  H     -4.40852258      0.75309933      0.59713872
  O     -4.14518802      1.53779877      1.09659054
  H     -1.03368649     -4.89067436      1.84712459
  H     -0.70014386      4.90190525      0.84891014
  O     -0.95087294      4.28306040      1.53131699
  H      0.30323124     -2.70511334      4.68780145
  H     -1.14339924      3.45116265      1.07447723
          69
 Energy    -248.66774088884185     
  O     16.92167889     11.15457068    -12.76531302
  H     17.34494682     10.35332744    -12.42996496
  H     12.68227689      7.77149938    -12.66290712
  O     17.97354189      8.05662653     -7.79693469
  H     16.77535617     11.72446133    -12.00102818
  H     12.97145631     11.92903263    -10.11610502
  O     14.85625782      4.97229115    -10.88687923
  H     17.59039509      8.86527004     -8.15942554
  H     13.07424374     12.29416439    -11.61115151
  O     11.59289988      6.49652894     -9.76760611
  H     18.54075343      7.70186640     -8.49384488
  H     15.06986977      7.35859178    -14.37829844
  O     17.39340755      4.90080735     -9.62459434
  H     14.02496363      4.79624038    -11.34199928
  H     14.49207284      8.72471034    -14.75694712
  O     16.45575064      5.91453013     -7.10401181
  H     14.62060579      5.50317349    -10.11088679
  H     18.61430113      6.11255243     -9.97819999
  O     17.72910323      8.70954319    -11.52224700
  H     12.40267623      6.41845818     -9.24566288
  H     20.10843330      6.45442029    -10.18564939
  O     16.20034041     12.63355419    -10.41078964
  H     11.70514331      5.89689449    -10.51426265
  H     14.19874416      7.41167170     -8.70633252
  O     16.79026528     10.13125256     -9.31581529
  H     17.09095326      5.09178265     -8.72774201
  H     14.84561187      6.20151292     -7.99040415
  O     13.85147436      8.68863315    -11.68423098
  H     16.59309763      4.75917495    -10.14557652
  H     11.12147989      8.84775704    -13.16874713
  O     10.41650004      8.91520289     -9.99431039
  H     16.66217602      5.63624196     -6.21602076
  H     10.63038166      9.43944094    -11.84039506
  O     12.23749426      7.31410218    -13.39626163
  H     16.97858084      6.71859816     -7.27588757
  H     11.67151549     11.12538868    -13.08790423
  O     13.52625346     12.38018028    -10.76252197
  H     17.11074840      8.10456353    -11.95777825
  H     11.72193555     12.49659404    -13.80056311
  O     14.44443232      7.78354303    -14.97854513
  H     18.38345646      8.14582882    -11.09210580
  H     11.43551990     10.20814129     -9.25885148
  O     19.25007902      6.84706476    -10.05169662
  H     16.40360929     13.54934302    -10.24123254
  H     11.55456491     11.23580882     -8.10999091
  O     14.14589559      6.44893722     -8.60659579
  H     15.23662885     12.57731046    -10.54102437
  H     12.20430800      5.71937196    -12.62886495
  O     10.76901046      9.65419726    -12.77016955
  H     16.67979738     11.05038340     -9.58878064
  H     11.76187142      4.24126836    -12.53536275
  O     12.21821962     11.91914807    -13.22660062
  H     17.09207477      9.64060815    -10.09581994
  H     15.36860643     10.74186833    -13.52821338
  O     12.01845167     10.87598866     -8.86236097
  H     14.09276535      9.40791270    -12.28548382
  H     13.83487146     11.04065984    -13.73535726
  O     12.24257750      4.92246345    -12.07224865
  H     14.00119431      8.95708402    -10.77275514
  H     13.58858020      9.83667766     -8.78120906
  O     14.51768190     10.36458478    -13.79913202
  H     10.85791948      8.04979302     -9.91861001
  H     15.12925613      9.57758589     -8.99702666
  O     14.25462619      9.16440086     -8.96016227
  H      9.49077987      8.75920293     -9.82219638
  H     15.65624026      6.17344566    -12.09039019
  O     15.83641296      6.98768188    -12.57491485
  H     12.86379645      7.37785740    -14.13219219
  H     15.13627909      7.59483965    -12.28861092
          69
 Energy    -248.66771849944524     
  O     -7.24571714     -2.81488484      5.57460111
  H     -6.51156655     -2.26733486      5.87928830
  H     -2.79870992      1.76334615      3.16608505
  O     -8.88893114     -2.70490260      1.93565043
  H     -8.01058455     -2.22439250      5.55539717
  H     -6.55440879     -1.09983289      2.87643875
  O     -7.06467122     -4.32657496      3.33284609
  H     -8.43052361     -1.90283807      2.23669328
  H     -7.34027786      0.17020553      2.41625706
  O     -4.75938927      1.16602932      0.71783562
  H     -8.38434209     -3.43545174      2.31378452
  H     -4.70739334     -1.13007374      7.18578457
  O     -5.79100504      5.13150012      3.09568976
  H     -7.12777910     -3.82776489      4.16921192
  H     -4.47588517     -1.26879196      5.66142741
  O     -9.59992315      1.08685673     -0.00837209
  H     -6.91908091     -5.23874269      3.56719351
  H     -1.21163422      3.80903800      3.54530198
  O     -9.19729684     -0.85817498      5.05626622
  H     -4.83750340      0.31205967      0.27945569
  H     -2.68759076      3.72770086      4.00972546
  O     -3.44289716     -1.52997558      4.29270598
  H     -5.66806495      1.42283051      0.94493731
  H     -9.70138663      1.02573500      4.88042234
  O     -4.10054553      3.90652271      1.33203516
  H     -5.24324494      4.72092640      2.40323184
  H     -9.11551664      2.34465013      4.33437637
  O    -11.17282347     -1.96298943      3.28009674
  H     -5.96525500      6.02595843      2.81547185
  H    -11.23860291     -0.19583980      2.53058430
  O     -5.43217491     -1.44040586     -0.29667068
  H    -10.11542542      1.57851669     -0.64143428
  H    -10.72437096      1.19301114      2.96474425
  O     -3.37547109      0.99126501      3.12640780
  H    -10.17226796      0.93819181      0.76775638
  H     -5.28081130     -2.18052804      1.42117220
  O     -7.38965169     -0.62385187      2.96165520
  H     -9.96063135     -1.23542410      4.60130777
  H     -5.80983257     -3.14412402      2.54616906
  O     -5.14138830     -1.05181656      6.33974149
  H     -8.52843656     -0.69379797      4.37112935
  H     -8.65677008     -0.52292162     -0.37328366
  O     -2.06907177      3.47283008      3.30108940
  H     -3.22630298     -0.66472736      3.91836901
  H     -8.50941472     -1.93271276      0.23718750
  O     -9.93988784      1.85410460      4.44628685
  H     -3.99296404     -1.95438378      3.61921246
  H     -4.65830320      4.54251891      4.53792230
  O    -11.04170929      0.68716360      2.20099678
  H     -4.27046163      3.03453769      0.95617963
  H     -4.48807619      3.20884064      5.28819813
  O     -5.25615758     -2.37359819      2.36686710
  H     -3.30216736      3.81417005      1.86804210
  H     -4.70541267      1.31413586      4.35614433
  O     -8.14319244     -1.33817047     -0.42977197
  H    -10.45084913     -2.33016638      2.74313637
  H     -5.42094846      0.70777343      5.58277283
  O     -4.04015131      4.04051456      5.08445898
  H    -11.85281676     -2.63003300      3.32551103
  H     -8.12606438      1.63919589      0.94205479
  O     -5.34900710      1.50917373      5.05316508
  H     -5.10485211     -1.83074885     -1.10311082
  H     -7.47354957      2.24180216      2.24942056
  O     -7.31149094      1.71646771      1.45341546
  H     -6.39943155     -1.37602897     -0.39128641
  H     -6.96339676      3.81369894      3.67410958
  O     -7.40932280      2.98658170      3.89572769
  H     -3.81665025      1.00467865      2.26559582
  H     -6.75959077      2.43206992      4.35320656
          69
 Energy    -248.66749322228668     
  O     14.92978794     12.60590021    -16.06873177
  H     14.53963149     13.47482585    -16.11156432
  H     15.96546016      5.00422300    -15.11984701
  O     15.42568466      5.89753045    -13.56327540
  H     14.41611343     12.10233460    -15.41276112
  H     18.56288742     11.00042643    -18.64260518
  O     18.94166890      8.28956795    -12.36539611
  H     16.16217793      5.79301148    -12.94522166
  H     17.19114368     10.58057506    -18.06516306
  O     18.70761582      7.77171960    -17.49657218
  H     14.77516589      6.48047392    -13.14891572
  H     17.56611494      7.77730613    -14.98592955
  O     16.32257731      6.20648470    -18.08923876
  H     18.42147537      9.07390892    -12.59547867
  H     16.20620820      7.31530863    -14.39913286
  O     15.64093322      9.78114715     -9.32440690
  H     19.31877521      7.98572715    -13.20256822
  H     13.93962182     10.94785866    -13.42330697
  O     13.71595087      7.83443307    -12.57449485
  H     18.53695108      8.70846416    -17.66100565
  H     13.15535829     10.29284745    -14.58034336
  O     17.27479832     10.26179882    -13.36661537
  H     17.92091662      7.29050948    -17.77693632
  H     16.69372618      5.24607615     -8.71755668
  O     18.89918120      4.49038333    -14.23954907
  H     16.39335332      5.62493820    -17.31070384
  H     15.93086938      6.25179576     -9.61437866
  O     14.51253208      7.21735699     -9.90527808
  H     16.27002662      5.63708077    -18.85220620
  H     11.85377394      8.31623860    -15.57015058
  O     19.37123522      7.21474780    -14.92963359
  H     16.52465817      9.38818424     -9.43959302
  H     13.38154438      8.36613090    -15.79390916
  O     16.52290281      4.68794635    -15.84397846
  H     15.68106385     10.32616105     -8.54328848
  H     17.48984875      5.64880588    -11.13915108
  O     18.15313262     10.51892929    -17.92781277
  H     14.15668064      8.67349511    -12.37177796
  H     18.14619295      6.64646140    -12.13795797
  O     16.65208539      8.05178315    -14.83749410
  H     13.22789884      7.98351665    -13.39331198
  H     17.72943644      7.53148518     -9.50988916
  O     13.53466665     11.12710778    -14.28235358
  H     17.50281712     10.95582319    -14.00080179
  H     18.46391482      8.44279976    -10.51779539
  O     16.79443292      5.82417821     -9.46851910
  H     16.98097765      9.50463616    -13.89791434
  H     15.18884900     11.37832871    -17.46051818
  O     12.68116325      8.50869846    -15.13560417
  H     19.50941134      3.79402534    -14.00981477
  H     15.12342256      9.85426954    -17.71675689
  O     17.77849187      5.75438931    -12.05451907
  H     18.53002319      4.82584278    -13.40509953
  H     15.10193465     10.24309545    -11.04462023
  O     17.98750342      8.44597119     -9.67810514
  H     14.08592992      7.31495875    -10.76515919
  H     15.78216421     10.34967431    -12.43439618
  O     15.44822165     10.68680530    -18.08360436
  H     14.75759621      8.10937750     -9.62632485
  H     16.76228805     12.27601381    -15.66072453
  O     14.92239014     10.27792620    -11.99103565
  H     19.30871047      7.40325116    -15.87977359
  H     17.95121988     11.49031031    -16.24351889
  O     17.65748632     11.97238195    -15.46156053
  H     19.33700980      6.25671060    -14.82439720
  H     15.48769351      8.30444751    -16.14586149
  O     14.82250782      8.22268234    -16.84813978
  H     17.37408482      4.49446366    -15.43455713
  H     15.16041378      7.52408593    -17.42176814
          69
 Energy    -248.66711901303017     
  O     18.22112095      9.71974667    -14.84273671
  H     18.22886000     10.12803411    -13.96902882
  H     15.35851803      5.37554370    -13.10451513
  O     14.48676908      4.96831022    -16.17675006
  H     18.42631925      8.78554450    -14.71332627
  H     12.94651527      8.64333578    -11.25794427
  O     12.30892403      8.46387378    -12.93269743
  H     14.27549888      4.30504748    -16.82925754
  H     13.63634306      9.58548547    -10.23922813
  O     12.37216873      6.37147444     -9.09763675
  H     13.74096288      5.59475424    -16.16483477
  H     15.18126382      8.79759216    -14.62385559
  O     12.35601688      6.62633790    -15.88428037
  H     12.14582241      7.51063656    -12.99764386
  H     14.04859045      8.50683851    -13.55917567
  O     16.59598062      6.79516966    -16.75452611
  H     11.96186386      8.87293206    -13.73540262
  H     19.22005556      6.31159916    -14.36326470
  O     14.44270034     11.26723397    -10.30539386
  H     12.62111456      7.23459051     -9.45442304
  H     17.84963224      6.72898933    -13.78327659
  O     14.88391551      5.00699066     -8.76365221
  H     13.19508057      5.95086837     -8.81963065
  H     12.48537422     10.08866059    -15.52618248
  O     15.87076298      9.38568296    -16.22482264
  H     12.06026963      6.28979315    -15.02703662
  H     11.01494327      9.84652654    -15.93308726
  O     11.23322912      4.60552625    -10.80890077
  H     12.18863275      7.57484129    -15.87366257
  H     14.26212492     11.44110366    -14.66665917
  O     13.94186215      3.61941009    -10.89929595
  H     15.93291302      6.12160363    -16.56224554
  H     14.57081323     10.62346694    -15.93144340
  O     14.67051764      4.75289922    -13.37739779
  H     17.27143828      6.72281441    -16.06915114
  H     12.97146902      5.41358740    -13.24231760
  O     13.36349951      8.67165925    -10.38482488
  H     14.66219843     11.34913541    -11.24945321
  H     11.64120175      5.33744965    -12.45052261
  O     14.99930144      8.59774098    -13.69487127
  H     14.12870702     12.12082607    -10.01879801
  H     16.23724527     11.39042543    -12.82879305
  O     18.45631028      6.85782288    -14.53146290
  H     14.61366746      4.45697067     -9.52104593
  H     15.18298024     10.31685951    -13.13867396
  O     11.75418245      9.44724003    -15.48209901
  H     15.19052565      4.41161598     -8.08537274
  H     16.01540382      7.39031041    -13.02151720
  O     13.87480553     11.13978930    -15.49518734
  H     16.03452092      8.50893078    -16.59987798
  H     16.42237380      6.81780620    -11.64814873
  O     12.06301158      5.74827389    -13.21489682
  H     16.70849081      9.65789377    -15.81803928
  H     18.73380565     11.65957725    -12.05261112
  O     15.28552622     11.25642537    -12.92232935
  H     10.43725216      4.23560748    -10.43755885
  H     17.75298947     10.58995987    -11.52169134
  O     16.52833897      6.68127573    -12.59758079
  H     11.56245921      5.26565589    -10.17203305
  H     16.73642530      8.97775292     -9.98827226
  O     18.04338242     11.05960058    -12.32306589
  H     12.99135003      3.78622589    -10.89797028
  H     16.16827535     10.40683682     -9.98195807
  O     16.98495399      9.90515247    -10.09281893
  H     14.25603020      3.86983583    -11.77824074
  H     14.96382833      7.77068928    -10.18331189
  O     15.81177431      7.33591911    -10.00932587
  H     14.69442189      4.70866032    -14.34168403
  H     15.61209995      6.54318856     -9.49656187
          69
 Energy    -248.66666238848160     
  O     10.24094349     10.07228650    -11.25762832
  H      9.41785048      9.90635005    -10.80620808
  H     12.44883450     11.79728371     -9.53689306
  O     14.69935927     10.68595988    -12.42600167
  H     10.87942689     10.36608583    -10.58284418
  H     10.51044849     10.50194107    -18.34533407
  O     16.86007983     13.21390749    -13.67044110
  H     14.46867594      9.84407439    -12.01431301
  H     11.63659045     11.44397140    -17.85812358
  O     16.07840693      7.76568345    -13.40936142
  H     15.57667561     10.93860080    -12.11062214
  H     13.60113424     14.40761433    -15.40693607
  O     10.95850387     11.69233450    -13.42039985
  H     16.08075401     13.65242543    -14.02631788
  H     14.63811940     13.28885071    -15.58013387
  O     12.08766486     14.81915021    -16.42030697
  H     17.07571920     12.50153995    -14.28835138
  H     13.32464927     13.37278754    -10.86802892
  O     15.16430190     11.93258828    -16.75936343
  H     15.62014180      8.22003650    -14.12447490
  H     13.19414836     14.30440404     -9.64041623
  O     14.37179614      9.31048076     -8.94797741
  H     16.90139027      8.25169112    -13.26905913
  H     17.89510307     10.38447881    -14.58872802
  O     13.27173802     12.97977525    -12.59867015
  H     10.60672998     11.18890117    -12.67595097
  H     16.51613618     10.39979514    -15.24749358
  O     14.66444103      9.81347534    -15.01647134
  H     11.71349192     12.20076961    -13.09320692
  H     14.98351020     12.43374996     -9.45834326
  O     18.36695717      9.45611957    -12.98633531
  H     11.68057636     15.65039829    -16.64886327
  H     15.32928632     10.96835285     -9.13448181
  O     12.07924577     10.90850224     -9.47192340
  H     11.36922582     14.21801152    -16.15225063
  H     11.56129307      9.94629360    -16.02770916
  O     10.94415755     10.82698454    -17.56091726
  H     16.12034448     11.85424544    -16.69473634
  H     11.62081703     10.40839530    -14.55646075
  O     14.33591937     13.96637055    -14.96083278
  H     14.82344251     11.18681229    -16.24281234
  H     12.62532159     13.48307357    -17.71941601
  O     13.37989939     13.40504851     -9.89803538
  H     14.52407544      8.67964436     -8.24884661
  H     13.72619815     12.41584186    -17.85474972
  O     17.36367308     10.86311320    -15.23747970
  H     14.34983761      8.80608094     -9.77955282
  H     11.22110245      8.75204769    -12.21521540
  O     15.72314096     11.82688530     -9.33438890
  H     13.61836015     13.41480510    -13.38831367
  H     11.81380209      8.52532341    -13.62019079
  O     11.92157308      9.71532391    -15.16280895
  H     13.75890016     12.14453367    -12.50659088
  H     16.83454386     11.70129489    -10.72146049
  O     12.85116910     12.66543194    -18.17960094
  H     14.72460666     10.17293822    -14.11695966
  H     17.15838504     12.25130955    -12.17213881
  O     11.83269190      8.19573175    -12.71419726
  H     13.72259195      9.64916863    -15.16577092
  H     10.28019647     12.24515396    -16.40261803
  O     17.24222884     11.49173393    -11.57458561
  H     18.03414732     10.15659878    -12.39783487
  H     10.33879703     12.58094151    -14.90116529
  O     10.20679237     12.97403559    -15.77521602
  H     19.23696458      9.22323290    -12.67269808
  H     14.90584130      7.84731773    -12.02134571
  O     14.22395581      8.13645636    -11.39810049
  H     12.81012675     10.33375485     -9.21395228
  H     13.36204002      8.03909204    -11.83225913
          69
 Energy    -248.66659018938321     
  O      3.67670556     -1.51264057     -2.34764663
  H      4.23780955     -1.77130697     -1.59182918
  H     -0.13088008     -6.18139528     -3.02382765
  O     -1.58144632     -0.63218120      2.09251164
  H      4.24977296     -1.09607189     -2.98532172
  H      3.74268744     -4.97047868      0.04594682
  O     -0.68250153     -3.20800753     -1.95251567
  H     -1.41459564     -0.65972453      1.13202579
  H      2.31284265     -5.60635429      0.13945800
  O      1.97522667     -6.47434491      3.44817302
  H     -2.37767022     -0.12413708      2.22060940
  H     -0.78356782     -4.32028553     -0.45656897
  O      4.52157809     -0.73316253      2.10868090
  H     -1.20176603     -3.88483811     -2.39934860
  H     -1.14498790     -4.53311789      1.01972075
  O      1.05726115     -6.73683956      0.87611172
  H      0.23934469     -3.32885106     -2.22562390
  H      3.45714365     -5.31518088      3.32163523
  O     -0.96722752     -0.79125100     -0.53062895
  H      1.96329665     -7.32523560      3.87997919
  H      3.74997383     -3.80664935      3.42382985
  O      2.69522266      1.34860962      1.38573473
  H      1.63094946     -6.61349039      2.55036249
  H     -1.21433127     -2.44266676      2.35280517
  O      1.78297473     -0.42195763     -0.57989352
  H      3.99415105     -1.19173279      2.77302579
  H      0.06289931     -3.13554606      1.84423113
  O      1.61455492     -2.73354468      1.02080320
  H      4.02038752      0.06002621      1.88273054
  H      1.11692919     -4.95148788      4.26819663
  O      2.55676390     -2.25153063      3.55857342
  H      1.17341145     -7.38866067      0.16769424
  H      0.09419996     -3.86986993      3.88009681
  O      0.80913795     -6.33977185     -3.17642547
  H      0.28885805     -6.19458525      0.65106315
  H      1.26541862     -7.62436505     -2.03924327
  O      2.82892497     -4.89226148     -0.25496522
  H     -1.02548476     -1.60056948     -1.05371621
  H      1.76053228     -9.05553415     -1.76655032
  O     -1.03130219     -5.00416239      0.18306351
  H     -0.04424877     -0.51232756     -0.61210856
  H     -2.74360240     -6.18427946     -2.46074940
  O      4.14628978     -4.65209946      3.18683160
  H      2.04964169      1.00410321      2.03041532
  H     -1.73161677     -5.70563635     -1.39834133
  O     -0.77106961     -3.29881431      2.31503452
  H      2.76107308      2.28769411      1.53402097
  H      5.03005868     -4.76694963      1.71046897
  O      0.77082280     -4.09151541      4.53513992
  H      2.43598120     -0.67722315     -1.24286297
  H      6.19608383     -5.35979186      0.88040784
  O      1.43223222     -8.27254917     -1.33384672
  H      2.17251695      0.25144492     -0.00708496
  H      1.43245623     -0.63557421      3.43887060
  O     -1.88437050     -5.78389637     -2.35413751
  H      1.65853231     -1.94714474      0.46261290
  H      0.10350166     -0.11905137      2.82521719
  O      5.40091747     -4.83930500      0.81182678
  H      2.09246763     -3.44429696      0.57589081
  H      2.52319984     -2.99326347     -2.68754396
  O      0.98822266      0.15051738      3.10051260
  H      2.29965985     -2.39491156      2.63234557
  H      2.29221854     -4.22887836     -1.80094944
  O      1.95935169     -3.76873595     -2.58805605
  H      1.97621854     -2.82194089      4.08523127
  H      4.96971189     -1.64703286      0.61542218
  O      5.12019897     -2.17080776     -0.18534351
  H      1.23972805     -5.47661434     -3.15624517
  H      5.33053706     -3.06185759      0.11231403
          69
 Energy    -248.66652554882003     
  O     12.23217872      9.49771514    -11.09810291
  H     11.74178946     10.25262330    -11.44737276
  H     14.23728389      7.81949736    -13.03321692
  O     12.43187699      7.46015552    -12.99369351
  H     12.30887318      8.82738699    -11.78683624
  H     13.94068120     14.16678097     -8.67427826
  O      8.85796501     10.31959917    -13.01289757
  H     11.79999428      7.83734009    -13.62019581
  H     13.94871613     14.51956960     -7.16797748
  O     14.58746355     10.37826659    -10.05652095
  H     11.98356757      6.78899215    -12.46192892
  H     10.47360143     11.81563723    -10.14490402
  O     15.79324132      7.82460489    -10.21045445
  H      8.69627725      9.93076981    -12.14418819
  H     11.07697892     11.49044143     -8.75276644
  O     12.09642133     15.47261022    -11.49479501
  H      9.41932408      9.71164294    -13.51033756
  H     12.20818072      9.41737073     -7.99920678
  O      8.46289190      9.76198375    -10.16789330
  H     13.77339498     10.07989551    -10.49500304
  H     11.94806678      8.88893695     -9.41460553
  O     12.65555886     13.32009902    -13.20778270
  H     15.15102341      9.59775298    -10.00437668
  H     12.87098282      6.13935296    -10.04487667
  O     14.52290102     14.50757271    -10.29050028
  H     16.55183291      7.38802572     -9.83265745
  H     13.03538028      7.20265866     -8.94733477
  O      9.74940996      7.30300437     -9.56869208
  H     15.01097187      7.31211324     -9.93757658
  H     14.89735307     11.66981189    -11.28399481
  O     11.02337465     14.47291257     -9.19269880
  H     11.63143387     15.12453304    -10.71331445
  H     15.25132145     11.77981169    -12.78137624
  O     15.13939480      8.16222909    -12.97026523
  H     11.78628263     16.36524652    -11.62199818
  H     11.43541344      9.69612113    -14.72720785
  O     13.48848944     14.00613008     -7.82638886
  H      9.05179976     10.40914903     -9.74718565
  H     10.48990500      8.79890671    -15.55719340
  O     10.25005038     11.70141356     -9.20498908
  H      7.57953529      9.98153720     -9.87819141
  H     10.11034108     11.43129394    -12.37883923
  O     11.93666927      8.62752150     -8.47793115
  H     13.46869066     12.99384159    -12.79349303
  H     11.40444183     12.33792656    -12.37265896
  O     13.52315897      6.54617175     -9.46469459
  H     12.43061167     14.14390074    -12.75657990
  H     12.53406743     11.83617083    -14.41363179
  O     14.97962914     12.29995066    -12.01465487
  H     13.79724855     14.94685224    -10.75126328
  H     13.58399185     10.74916848    -14.66473332
  O     10.79043156      8.96728940    -14.66739135
  H     14.83207223     13.81184007    -10.88430814
  H     16.10797563     10.48810691    -14.83243061
  O     10.83785399     11.77074578    -11.83839512
  H      9.21456402      8.06004717     -9.83577934
  H     15.35652012      9.67398860    -13.75144358
  O     12.64631593     10.94890532    -14.77588664
  H     10.41511834      7.67094199     -8.97064993
  H     10.66897509      6.25349841    -10.60927108
  O     15.41230369     10.54612069    -14.18311666
  H     11.79306478     14.39111747     -8.61472879
  H     10.93970457      4.82885611    -11.14616148
  O     11.28321234      5.71828318    -11.14338223
  H     10.57116855     13.62303782     -9.14005961
  H     13.04890530     12.18497758     -7.81559412
  O     12.83483364     11.26935871     -8.03187450
  H     15.42889219      8.00970891    -12.06330328
  H     13.51230559     10.98946235     -8.66428746
          69
 Energy    -248.66632953985376     
  O     17.77872921      8.56474604    -11.95976764
  H     17.05821638      9.06164264    -12.37618878
  H     14.99484391      8.49623563    -13.63265867
  O     11.97442877     12.22756603    -12.41714596
  H     18.26569619      9.20040565    -11.41911096
  H     12.23768064      8.65944130    -15.86505270
  O     19.02035335      7.33099000    -14.04902577
  H     12.42851207     12.18108735    -13.27938257
  H     13.29960821      8.49193586    -14.75478315
  O     11.40067672      9.44774462    -12.51312278
  H     11.43642086     13.01384686    -12.42669332
  H     15.36022258     10.48372114     -8.15978411
  O     16.31964252      7.63043272     -9.78704007
  H     19.48386571      6.54195434    -13.78154271
  H     16.83422702     10.29758321     -7.77205598
  O     18.86311917     10.51999227    -10.30328392
  H     18.60311328      7.69813105    -13.25019039
  H     13.43217411     11.69854058    -11.42445955
  O     19.97932172     11.61682809    -12.50556531
  H     11.46001530     10.40594983    -12.41623979
  H     14.10822791     10.69831895    -10.40740483
  O     16.68809344     12.32525545    -10.23106514
  H     11.71992854      9.25809365    -13.40339695
  H     18.57281320      9.49762376     -8.85599637
  O     12.03819290      7.89270697    -10.38964317
  H     16.91596869      7.89150896     -9.07515412
  H     18.95306937      8.77601005     -7.54366849
  O     16.82842232      7.94154280    -15.73783977
  H     16.79587352      7.85078661    -10.60085425
  H     16.69930222     12.56362594    -14.09877511
  O     14.28229057      6.47976426    -11.49856394
  H     19.43537694     10.87242064    -11.00280884
  H     16.68562175     11.62914309    -15.36311993
  O     14.63833683      7.65930574    -13.97180058
  H     18.10282085     11.11606976    -10.25900329
  H     15.87469725     10.65362949    -13.63364187
  O     12.59805066      9.07743676    -15.08699337
  H     19.28545450     12.26636479    -12.66276519
  H     15.12533770     10.39600955    -12.30563408
  O     16.14830016     10.96712231     -7.88178978
  H     20.01049347     11.06289586    -13.29969477
  H     19.69615886      9.06679327    -14.56347430
  O     14.27223472     11.36978369    -11.08555252
  H     15.83520160     12.09061287    -10.62694603
  H     19.13325494     10.23368755    -15.38546481
  O     18.21838788      8.96815241     -8.12084809
  H     16.59301785     12.06095782     -9.30444468
  H     17.24023777      9.55164938    -16.25869158
  O     16.13095596     12.07392046    -14.70688002
  H     11.78010174      8.43703446    -11.15476697
  H     17.66202236     10.48609888    -17.41737124
  O     15.67775571      9.97444480    -12.97701371
  H     11.24003536      7.49113337    -10.05666704
  H     14.89797816      8.74821330     -9.43391352
  O     19.82673793     10.00264372    -14.75701702
  H     17.58572138      7.60672024    -15.23989714
  H     13.35795437      8.85291601     -9.48836986
  O     17.54925035     10.45111972    -16.47093654
  H     16.04625743      7.70922690    -15.22197054
  H     17.79658421     14.28965200    -12.57010360
  O     14.15475947      9.33644351     -9.23549089
  H     13.47917765      6.86343278    -11.12441309
  H     17.33131191     13.05680108    -11.77246345
  O     17.64028095     13.35027931    -12.64501749
  H     14.98024035      6.67050933    -10.86116075
  H     14.24466828     12.00007626    -14.80879766
  O     13.29265484     11.85379942    -14.73996182
  H     14.50000242      7.10175495    -13.19387440
  H     13.12848630     10.93009295    -14.96807304
          69
 Energy    -248.66631102434093     
  O     -6.05814282      1.78651233      0.84560186
  H     -5.25585930      2.28832178      0.64519560
  H     -3.40031656     -0.76062596      4.27308572
  O     -5.12854186      2.01187762     -3.41834228
  H     -6.24027945      1.90994193      1.78502812
  H      0.04674663      2.21836151      3.32327920
  O     -6.11702792      2.04427379      3.64644570
  H     -5.27948522      2.39477327     -4.27974890
  H      1.16421850      1.40527243      2.65179690
  O     -0.85425401     -1.73045232      2.52366846
  H     -4.32793603      2.43704948     -3.06878748
  H     -0.50743834      4.42492465     -0.24168413
  O     -2.73677711     -1.49807106      0.45170495
  H     -5.31924704      2.59911855      3.57235638
  H     -2.02012906      4.45549830     -0.00490347
  O     -4.72833727     -0.82224060     -3.10390417
  H     -6.69984012      2.47678426      4.26429226
  H     -3.54039458      3.12721709     -0.62060107
  O     -5.44030062     -0.94467376      0.76767730
  H     -1.36719798     -1.48459507      3.30290542
  H     -3.04808790      2.35486812      0.60832431
  O     -2.33767313     -1.75146493     -2.30387206
  H     -1.49305728     -1.80876728      1.80214566
  H      0.84312832      2.07378661     -0.16510707
  O     -2.83143784      3.04945579     -2.35411310
  H     -3.69213536     -1.38869479      0.55573327
  H      0.94648103      0.59409283      0.30426267
  O      1.37786501     -0.33629285      1.86254700
  H     -2.56301747     -1.65562349     -0.48540992
  H      1.83724047      4.31658266      0.63184977
  O     -1.21132466      0.86811675     -2.51421113
  H     -4.83677275      0.12321800     -3.26123260
  H      1.00769299      3.33019220      1.48594335
  O     -2.50699895     -0.79996161      4.66005987
  H     -5.51332242     -1.11016239     -2.62236661
  H     -7.84201438     -1.85924815     -1.73541797
  O      0.91087874      2.30355410      2.89894536
  H     -5.60307086      0.00975776      0.77982232
  H     -7.22131823     -0.44827467     -1.58220965
  O     -1.34322354      4.68632368     -0.64824200
  H     -5.99426873     -1.29092789      0.05845385
  H     -1.75917390      1.45493347      2.70897358
  O     -3.64548213      3.07200182      0.33787738
  H     -3.20422076     -1.44765031     -2.63170233
  H     -1.94170475      0.91433011      4.14225880
  O      0.57279233      1.17020855     -0.37609048
  H     -2.06683948     -2.47296921     -2.86509419
  H     -5.17899679     -0.86449428      2.65782543
  O      1.06308991      3.75952991      0.61335426
  H     -2.27400926      2.25981402     -2.45572748
  H     -5.40107354      0.28462708      3.66319764
  O     -7.03134458     -1.40333699     -1.52735522
  H     -2.25666670      3.73954119     -1.99800354
  H     -2.22544242      0.19248478      0.79594170
  O     -1.72345197      1.71121659      3.64452574
  H      2.12757720     -0.90561384      2.01391429
  H     -1.07935858      1.18488141      0.46984506
  O     -4.96462023     -0.56904303      3.55082020
  H      0.58725349     -0.84707083      2.11273366
  H     -6.59093573      1.63511827     -2.25077690
  O     -1.90733285      1.09084864      0.95601032
  H     -0.49038627      0.92978841     -1.87331618
  H     -6.95833662      1.56827707     -0.75177270
  O     -7.24834814      1.29210036     -1.63259295
  H     -1.53018497     -0.04046133     -2.47614392
  H     -3.79555982      3.55652585      2.23139475
  O     -3.86024459      3.46366860      3.18890961
  H     -2.60015592     -1.19239207      5.52387642
  H     -3.08765695      2.94790159      3.46138352
          69
 Ord_Energy   -248.665771    
 O    6.86316252       3.18083334       4.14315462    
 H    6.25157166       3.85478950       4.46275949    
 H    6.32505941       2.43429923       3.84332299    
 O    4.43748760       1.70918190       6.24772882    
 H    3.79777622       2.41398954       6.09400702    
 H    4.77195168       1.42945540       5.38316202    
 O    3.01852179     -0.424768806       3.06035638    
 H    2.69353724     -0.882637143       3.85635710    
 H    2.81550980     -0.986367166       2.31703305    
 O    1.24518979       3.84399486       7.85201454    
 H    1.95513642       3.78685117       8.50743198    
 H   0.676281571       3.08444190       8.01356602    
 O    6.47207737     -0.913877428       8.08015156    
 H    6.47098589      -1.10645127       9.02668858    
 H    6.60333300       4.14694995E-02   8.01045990    
 O    2.43223739      0.757533491       9.31228542    
 H    2.88509750      0.187019542       8.67495728    
 H    2.85561299       1.62908673       9.29135609    
 O    8.60375786       1.89185095       5.74323988    
 H    9.50797653       2.14774537       5.58563995    
 H    8.04945183       2.41005850       5.13040352    
 O    3.94173408      0.120724402       11.6183977    
 H    3.30928755      0.217824996       10.8948936    
 H    4.16078901       1.02190030       11.8874760    
 O    1.45431447       1.82003641       4.00764179    
 H    1.98641157       1.14281952       3.57424212    
 H   0.858070314       1.34577274       4.60009861    
 O    3.48620081       3.33750033       9.47291088    
 H    3.85122156       3.27438903       10.3635674    
 H    4.14848089       3.79629993       8.93485928    
 O    6.72646284       1.93205249       7.77778339    
 H    5.89700174       1.91037297       7.27365732    
 H    7.45604944       1.95691979       7.14327145    
 O   -7.68711492E-02   1.30234790       8.43067169    
 H   0.789041817       1.05076134       8.79747868    
 H  -0.695736766       1.28801382       9.15659237    
 O    5.00812864       5.09572697       5.20198154    
 H    4.13283157       4.67187929       5.24496746    
 H    4.87153625       5.96776152       4.83982325    
 O    4.81482267       2.83092523       11.9084692    
 H    5.62611389       2.52517867       11.4629335    
 H    5.08934736       3.40822673       12.6155615    
 O    7.23237419     -0.621952415       5.30714083    
 H    7.84413433      0.114555389       5.43349648    
 H    7.02452755     -0.946753860       6.19103861    
 O    2.67627907       3.74295235       5.51449728    
 H    2.21817374       3.14991403       4.90073204    
 H    2.11468339       3.86786222       6.29303026    
 O    3.77405810     -0.672520280       7.38082600    
 H    3.91794491      0.176210716       6.93096304    
 H    4.65193987     -0.975202739       7.64190388    
 O    6.30083942      -1.02787745       10.8835773    
 H    5.42714882     -0.698229194       11.1597567    
 H    6.57806683      -1.65681672       11.5444307    
 O    2.02690339      -1.47615051       5.35322189    
 H    2.63287735      -1.34761560       6.09591484    
 H    1.23359573     -0.969660103       5.56552649    
 O  -0.170649976      0.301649630       5.83946133    
 H  -0.165186554      0.657861114       6.74118614    
 H   -1.08272862      0.114701182       5.62730360    
 O    5.40502882      0.813334584       3.82989073    
 H    4.64420033      0.341185600       3.47102690    
 H    6.00717497      0.170515776       4.23687887    
 O    6.93456888       1.76252103       10.5922623    
 H    6.87943077      0.808932662       10.7309570    
 H    6.91739988       1.89382434       9.63548088    
 O    5.47788477       4.51361418       7.97130203    
 H    6.11009789       3.78668904       7.94514847    
 H    5.36580229       4.79694414       7.05551434    
          69
 Energy    -248.66551112577045     
  O     14.01714559     14.08903777    -10.18514459
  H     13.76515067     13.15438118    -10.07842067
  H     12.86983402     14.08076183    -15.72976871
  O     14.62217031     12.36624090    -17.94848133
  H     13.70375873     14.54444958     -9.40720964
  H     12.15175509     14.28021795    -13.69033013
  O     15.90299419      8.91957631    -11.30795485
  H     14.24533011     13.07471169    -17.39472624
  H     10.73408919     14.07299583    -14.27796762
  O     14.14572104     10.29434478    -16.12100643
  H     14.40837026     12.57682717    -18.85287312
  H     18.42763013     13.42217369    -13.31715445
  O     15.61980683      6.58064036    -12.82912333
  H     16.07878343      9.34656545    -10.46099665
  H     18.33978413     12.02789645    -12.68109497
  O     16.29363171      6.79159027    -15.45028882
  H     14.98208017      9.12328707    -11.52865889
  H     14.36042711     11.06154185     -9.45197726
  O     15.26948016     12.25507209    -13.01592288
  H     14.19726077     10.94492447    -16.83166626
  H     13.28813692     10.72024253    -10.50042275
  O     13.18857369      9.42610292    -11.86143576
  H     15.06052622     10.04738122    -15.92055692
  H     16.39042707     12.28628969    -17.20394612
  O     16.80768349      9.54982620    -15.69578771
  H     14.65479493      6.55710091    -12.82623299
  H     17.21254904     11.22699380    -16.45289676
  O     18.19330908     14.11563085    -15.09930734
  H     15.86205139      7.29849175    -12.22907433
  H     14.43831471      7.23859526    -15.71208884
  O     12.84064324     11.24663722    -13.87771260
  H     16.13324149      6.68579144    -14.49508988
  H     13.59321639      8.51121456    -15.89371194
  O     13.65519542     14.22031335    -16.27020632
  H     16.75170531      6.00764029    -15.74076191
  H     16.42381350     11.38731917     -9.52429932
  O     11.62520945     13.73579139    -14.30433105
  H     14.38582717     11.91177005    -13.19847259
  H     16.69057920     10.55862142     -8.24329722
  O     18.45626592     12.96380224    -12.46897332
  H     15.40056096     12.31181719    -12.06352103
  H     16.98765108      9.82454804    -12.50760652
  O     13.57318578     11.41039960     -9.88820419
  H     12.98026601     10.04257900    -12.57939797
  H     16.65124265     11.12616972    -13.24863924
  O     17.21079641     12.15682742    -16.71373220
  H     12.94846841      8.54768306    -12.18095882
  H     14.10483157     15.21233367    -13.21036703
  O     13.54024653      7.58357394    -15.62995074
  H     16.73858356      8.58787428    -15.70302386
  H     13.51641967     14.81839471    -11.83684670
  O     16.18596101     10.56851545     -9.05181511
  H     17.09018428      9.80347512    -14.80396485
  H     12.07039325      6.30307673    -13.12341378
  O     17.33530358     10.44266228    -13.16364410
  H     18.90271498     14.55127869    -15.56408269
  H     12.97070638      7.17566186    -14.03057022
  O     13.27998509     15.15815594    -12.70874500
  H     17.87478919     13.40418800    -15.68374009
  H     15.92150382     13.54909820    -10.39303881
  O     12.78163012      6.93752699    -13.10465909
  H     13.23133719     10.93673916    -14.70854128
  H     17.23898554     13.06019634    -11.13049125
  O     16.56837451     12.83962712    -10.46625412
  H     12.32886885     12.04487814    -14.05661353
  H     15.47290976     13.81954481    -13.84983529
  O     15.56952338     14.68675419    -14.27495575
  H     14.35770500     14.46986184    -15.65353276
  H     16.48344546     14.71617407    -14.57867159
          69
 Energy    -248.66539879604886     
  O     18.80117379     10.31366053     -7.56552984
  H     18.91735673     10.99172111     -6.90502952
  H     16.40814615      9.89469256     -9.78255105
  O     17.19598394      5.52026424     -9.94423555
  H     19.61144359     10.30587765     -8.10613937
  H     20.96095271     10.41388383    -10.13661438
  O     17.94975264      4.85566659    -13.17284570
  H     16.62653558      5.31879211    -10.69658076
  H     21.10360617      9.20433528     -9.19765848
  O     18.62301502      7.56744099    -13.49645473
  H     17.69116205      6.31981460    -10.17753461
  H     17.28531066     10.23706346    -13.47681888
  O     21.72999668      6.32508934    -11.78552489
  H     17.02120248      4.83152359    -12.91698785
  H     16.49752279     10.11609649    -14.80687285
  O     15.33612230      5.26043796    -11.99647365
  H     18.14828374      5.77922163    -13.38185183
  H     20.45967666      3.13134123    -12.34545021
  O     21.35525142      8.31893394    -13.52090380
  H     19.53153947      7.86096395    -13.63609447
  H     19.37139997      4.22484239    -12.34587162
  O     19.99685726      5.84546482     -7.21554186
  H     18.02893816      8.25748356    -13.81894706
  H     13.22483331      7.90277168    -11.71015800
  O     20.90497981      7.40532136     -9.35902195
  H     21.59164573      6.64566237    -10.88348316
  H     12.80261239      7.02742420    -10.52442873
  O     18.52314806      7.80895490    -10.70062241
  H     21.25818475      5.48575844    -11.85106292
  H     14.01611022      8.77404673     -9.97405187
  O     17.78685706      7.69522918     -6.84778459
  H     14.65378344      5.13978282    -11.32597302
  H     15.15437769      8.19754551     -9.09296987
  O     17.30762011     10.22372136     -9.92435362
  H     15.28851701      6.19625018    -12.24927154
  H     15.64964815      8.57626594    -12.98386023
  O     20.95353613     10.16144797     -9.20731758
  H     21.92316658      8.18589655    -14.27520409
  H     15.25062343      8.34031054    -11.50074597
  O     16.80471187      9.61659521    -14.05563250
  H     21.53812207      7.58845343    -12.89950852
  H     21.15988970      9.86271080    -12.55569092
  O     20.19801630      3.94237104    -11.91653041
  H     19.80233512      5.14110772     -7.86041002
  H     21.68761482     11.29608871    -12.34093993
  O     12.65544299      7.89150919    -10.93121430
  H     20.41873203      5.42511349     -6.47086202
  H     16.19464430      7.08567695     -7.50436386
  O     14.92973393      8.92024465     -9.69586359
  H     20.70895972      6.89140576     -8.56672177
  H     16.12322509      6.19845727     -8.74426998
  O     15.16116845      7.98888468    -12.39691273
  H     20.06100120      7.53589276     -9.82105802
  H     19.16384940     11.06421607    -12.28206999
  O     21.01104246     10.68280206    -12.06034270
  H     18.12141341      8.65261284    -10.45794045
  H     17.85341840     10.95221300    -11.47486765
  O     15.56382138      6.69766002     -8.12742801
  H     18.54049082      7.74670152    -11.66407194
  H     18.52416407      4.45748923     -9.37044507
  O     18.20636964     11.14438531    -12.35649832
  H     18.14782993      8.56701166     -7.04530802
  H     19.80386046      3.93373558    -10.01617518
  O     19.38531054      4.06580534     -9.15861376
  H     18.52073435      7.07421577     -6.93003380
  H     13.07658929      4.80809506     -9.18545414
  O     13.58019556      5.46055674     -9.66718779
  H     17.72575284     10.34054015     -9.06227757
  H     14.18158825      5.86892188     -9.02353185
          69
 Energy    -248.66518790062906     
  O     12.08431630     11.06603148    -14.32568696
  H     12.37550750     10.89757098    -13.41992747
  H     16.00995310      5.73316704    -15.24607232
  O     14.26342979      6.32110044    -17.74754178
  H     12.88819756     11.08708409    -14.85962931
  H     15.67881347      7.15272466     -9.92170640
  O     14.04234862      5.65759582    -12.13249573
  H     14.14831986      6.09326668    -18.66595077
  H     15.40895013      6.19567183    -11.10754220
  O     18.51294052      5.35025326    -11.22258068
  H     13.82842953      7.18273942    -17.61476106
  H     14.54279790      8.26910268    -14.00930424
  O     13.02708826      4.78407287    -15.61203613
  H     13.16571556      5.47574680    -11.78014252
  H     13.53807431      8.74551189    -12.92966827
  O     13.07428265      8.67880208    -17.22959612
  H     13.94564724      6.46473783    -12.66567854
  H     15.01990250     11.50134845    -16.33927067
  O     14.64334423      8.36543059     -9.05652773
  H     19.00680731      6.08384411    -11.60639232
  H     15.13738091     10.19935428    -15.51716203
  O     19.62662950      7.52998534    -12.78432302
  H     17.69839662      5.73447295    -10.86783684
  H     10.77651754      5.05257806    -11.04759807
  O     11.42875298      8.44128414    -14.97393047
  H     13.81956363      4.47579417    -15.15619725
  H     11.15600141      5.80862861    -12.34247487
  O     18.00799728      3.61991793    -13.24813413
  H     13.34893609      5.26472522    -16.38306186
  H     16.27947978      4.02117073    -13.82471256
  O     18.86332914      5.88380974    -14.79509580
  H     12.36732393      8.55140490    -16.58218962
  H     14.97748770      4.74770512    -13.37339486
  O     16.31762949      6.41355746    -15.86353255
  H     13.55586743      9.45804998    -16.93073264
  H     10.88139092      6.73680114    -14.41751716
  O     16.11488885      6.62747685    -10.60667030
  H     13.72484016      8.26247009     -9.33340947
  H     11.65264695      5.41036053    -14.58404220
  O     13.77691906      7.99532771    -13.49134801
  H     14.95944410      9.17500356     -9.47596940
  H     11.18945718      8.37664900     -9.55021178
  O     14.50479193     10.80882897    -15.93225007
  H     20.54355797      7.77043662    -12.88386171
  H     11.72727405      7.35320455    -10.56810469
  O     11.31982761      5.76147602    -11.38097871
  H     19.39422336      6.98189583    -13.55617753
  H     16.25884862      8.06621484    -15.18260901
  O     15.45460802      4.40661263    -14.14378287
  H     11.40664143      9.39117170    -14.79251281
  H     16.52692782      8.87586288    -13.87025454
  O     10.99288390      5.85778693    -14.03353860
  H     12.22572124      8.12530880    -14.52085567
  H     13.93840048     10.35185749    -11.43561198
  O     11.93829788      8.18181103    -10.11044061
  H     18.41386707      2.77200561    -13.08963330
  H     12.62677923      9.54074253    -11.20483897
  O     16.10087853      8.91192437    -14.73664741
  H     18.18775853      4.17001199    -12.46459494
  H     16.15373757     11.27152119    -10.47773832
  O     13.08781836     10.11685621    -11.82865523
  H     18.66330990      5.03386995    -14.38318759
  H     16.25601057      9.93953669    -11.25509705
  O     15.65561484     10.50001839    -10.73652688
  H     18.08396976      6.10957989    -15.31952118
  H     18.08343055      8.41319333    -12.34734680
  O     17.17384829      8.67609609    -12.15504429
  H     15.71154309      6.38714072    -16.61481441
  H     16.77616457      7.94139111    -11.66352133
          69
 Energy    -248.66512739880997     
  O     16.94428823      9.90037034    -15.52570730
  H     17.74523161      9.36126012    -15.53613338
  H     18.30456822      5.10180239    -15.15969787
  O     17.09511493     12.59457491    -15.97228770
  H     16.70987203     10.00137480    -14.58770941
  H     15.39097144      7.14791685    -12.19024462
  O     14.65823942      8.30327643    -15.73613518
  H     17.03263867     12.82421673    -16.89584016
  H     15.87028568      8.00527922    -10.94228387
  O     19.20372059      8.33123582    -15.14748906
  H     17.01716641     11.62706781    -15.91624848
  H     18.82023527      6.99270368    -16.26329266
  O     20.84943160     10.37792785    -14.19967826
  H     15.43908666      8.87322026    -15.74722575
  H     19.17895793      6.03103152    -17.41702903
  O     18.62655457      7.03743327    -12.78285989
  H     13.88832448      8.87605950    -15.63583164
  H     17.09741146     13.65568801    -12.47046133
  O     12.15046784      8.42150058    -12.77377977
  H     18.97706966      7.89378669    -14.31103492
  H     17.99966158     14.46628493    -11.50933608
  O     15.78993287     13.58404556    -13.62791300
  H     19.85635447      9.00943579    -14.93308980
  H     15.27599854      6.73412902    -16.56741564
  O     12.42846081      9.89975681    -15.01910042
  H     21.76673590     10.63153338    -14.25706308
  H     16.62529157      6.03902693    -16.87862467
  O     13.93198237     11.50128174    -13.22982540
  H     20.32897928     11.20120125    -14.20419654
  H     16.73232363     10.49080023    -12.26201633
  O     13.06790480     10.37482131    -10.84338829
  H     18.56721704      6.15976513    -13.18553449
  H     16.13153801      9.12204943    -12.61800705
  O     18.13345598      4.76087261    -14.27376677
  H     17.77302821      7.18906357    -12.35009491
  H     18.63260697     12.68122739    -14.84156435
  O     16.15278350      7.53427626    -11.74049194
  H     12.43143487      8.92518451    -12.00101428
  H     18.94840780     12.96372352    -13.35983954
  O     18.51060553      6.21893303    -16.76249973
  H     12.77607933      7.69195651    -12.88323081
  H     18.40165655     10.50243744    -11.01808160
  O     17.89441829     13.60836631    -11.91216851
  H     15.03809479     12.99752888    -13.47542885
  H     17.78524573     11.94207171    -11.03696102
  O     15.67740700      5.88154739    -16.78165766
  H     16.15535771     13.33104944    -14.48514487
  H     14.48055832      5.75471867    -13.74385483
  O     16.21583218     10.03002248    -12.93682374
  H     11.60414763     10.03248429    -15.47930870
  H     14.39523545      7.21262282    -14.24549230
  O     19.32386849     12.60568906    -14.17326646
  H     12.23075788      9.35364248    -14.23522094
  H     19.41591477      8.55563907    -11.94102916
  O     17.61332627     11.02452290    -10.79527521
  H     14.73722469     10.96368712    -13.14527067
  H     20.15915069      9.78725007    -12.47792432
  O     14.20100430      6.64243590    -13.48746827
  H     13.39731660     11.09287491    -13.92123374
  H     16.22199825      9.96081456     -9.94627860
  O     19.67764324      9.45694857    -11.71151192
  H     12.46411964     10.91904376    -10.34262710
  H     14.69421304      9.71903421    -10.03726097
  O     15.52594262      9.31591279     -9.76052063
  H     13.32580108     10.89077201    -11.62424715
  H     14.92593487      3.44887570    -14.82799685
  O     15.28662586      4.30377308    -14.60793678
  H     17.19711012      4.52897362    -14.26279659
  H     15.38649609      4.79267569    -15.44551138
          69
 Energy    -248.66492866334082     
  O     15.92169585      9.32240142    -15.90206154
  H     15.01303668      9.09960032    -15.65086521
  H     19.95939465      3.67142555    -16.31121530
  O     13.34648685      3.47880459    -15.67271896
  H     16.46567356      8.97508075    -15.18882604
  H     19.25363269      7.44183598    -16.52385181
  O     18.26946172      5.77505249    -12.02133813
  H     14.12996464      3.06984902    -16.08488803
  H     18.23515689      7.62338477    -17.69322002
  O     19.32398561      4.31944986    -17.77629311
  H     12.60201790      2.91892567    -15.87389599
  H     17.08815894      4.76767015    -15.41861871
  O     16.80991331      3.80204317    -19.01246084
  H     17.71841001      4.98766871    -12.13693274
  H     17.50286563      5.98357587    -16.31122037
  O     14.15474754      4.41998512    -13.14283815
  H     17.91670066      6.45311773    -12.61208689
  H     13.64462138      7.47611625    -15.55401067
  O     17.33396524      7.70772993    -13.93230817
  H     18.51099260      4.05139129    -18.22132457
  H     13.77122967      7.93447931    -14.09064346
  O     17.51752058      3.06888137    -14.83583657
  H     19.28340532      5.28418741    -17.71443165
  H     14.68657696      3.49164409     -9.90564218
  O     13.11602069      3.63830537    -10.70140680
  H     16.73062880      3.45702349    -19.89847257
  H     15.65764700      3.02836816     -8.79342204
  O     19.94129866      8.08354900    -14.90411640
  H     16.38965471      4.68031569    -19.01967521
  H     15.13175008      5.89655305    -16.20424572
  O     15.60238746      2.51011549    -16.77079533
  H     13.84598614      4.15606357    -14.01714453
  H     13.77362952      5.16377716    -16.32017379
  O     20.23075403      3.35340840    -15.43001753
  H     14.32250404      5.37329316    -13.12584447
  H     20.42666556      4.87524950    -14.32232622
  O     18.80149708      6.98298304    -17.24298187
  H     17.11302477      6.97559138    -14.53379202
  H     19.81968873      5.59668003    -13.08730270
  O     16.85328050      5.67013671    -15.66782185
  H     18.22616495      7.99327004    -14.16849694
  H     16.44480178      3.33970507    -11.32627907
  O     13.54805912      8.24644287    -14.97527312
  H     17.30918549      3.07380395    -13.89204108
  H     15.77148834      3.79818997    -12.63124652
  O     15.61508187      3.51084325     -9.61452260
  H     18.47703997      3.05428926    -14.93954015
  H     16.91401297      6.25440724    -10.63991983
  O     14.21881857      5.99649766    -16.51626255
  H     12.30180664      4.10271807    -10.52275591
  H     15.84934185      5.42910471     -9.91458357
  O     20.45793844      5.69002328    -13.80727178
  H     13.38083037      3.89621053    -11.59940607
  H     16.01831669      7.09399585    -18.85548695
  O     16.61680060      3.49970097    -12.26155328
  H     20.63764543      8.71084909    -14.73152286
  H     14.96330014      6.18490491    -18.20239670
  O     16.02557024      6.30917367    -10.26690978
  H     20.22139225      7.23150388    -14.51942405
  H     15.11242973      6.87676082    -11.76083060
  O     15.59677021      6.23071544    -18.93212915
  H     15.98174497      2.90316657    -17.56604024
  H     15.64234814      7.43713501    -13.09224731
  O     14.85437944      7.06781269    -12.67509121
  H     16.29460998      2.55086012    -16.09614845
  H     16.50706871      8.97387867    -17.48963111
  O     16.90301984      8.71163228    -18.34084701
  H     20.92949781      2.71948174    -15.56732373
  H     16.91167693      9.48987115    -18.89116928
          69
 Energy    -248.66476676200531     
  O     15.58297951      9.81809321    -16.39937094
  H     15.62330530      9.25226944    -17.17863304
  H     17.60655001      7.47039859    -18.09114443
  O     12.74215450      4.17562766    -15.51989635
  H     14.85651189      9.50335227    -15.85096634
  H     16.36953643      5.31491577    -15.68289692
  O     18.47770787      5.80717531    -12.45894223
  H     12.90752084      5.10362930    -15.76324819
  H     16.89154149      6.61419432    -16.32960920
  O     19.29178388      4.52566684    -16.89184524
  H     11.81119445      4.01579696    -15.65493657
  H     13.61812345      8.49408115    -13.71284860
  O     14.85783423      6.79111511     -9.73983995
  H     19.19254245      5.83317785    -13.10956314
  H     12.84891951      9.70960067    -14.27278411
  O     14.14498234      4.69825964    -13.13796243
  H     17.87917580      6.53247988    -12.69349309
  H     15.37036342      3.18201569    -10.31975482
  O     16.67796481      7.66098397    -13.35473848
  H     19.82366897      4.14665403    -17.58743767
  H     16.25615299      1.99561113     -9.86685876
  O     16.89586309      3.55272098    -15.77296700
  H     18.92603071      5.35697860    -17.23999670
  H     13.32385732      7.52584758    -15.63352832
  O     13.89410386      4.14588572    -10.39383931
  H     14.83842516      7.25695377     -8.90815218
  H     14.48278711      6.56568561    -16.00304031
  O     19.92573774      8.55707712    -15.99747622
  H     15.74143007      6.38629087     -9.81088959
  H     20.18909904      6.91617097    -14.99790010
  O     14.73210667      3.57328703    -17.56665452
  H     13.67061419      4.39166343    -13.91965002
  H     19.99695412      5.42644581    -15.31883451
  O     18.24621150      6.98108837    -17.55760666
  H     15.04975999      4.35999997    -13.18049908
  H     17.40298060      4.40626235    -12.84516131
  O     16.24248664      6.27250481    -15.70240646
  H     15.82476608      7.66456893    -12.90768604
  H     16.66070739      3.22089001    -12.17802755
  O     13.41775389      8.98648078    -14.52592139
  H     16.53990161      7.19199089    -14.19252489
  H     17.03109909      4.53782966     -9.99077973
  O     16.26120950      2.79436147    -10.38681049
  H     17.78694888      3.74187829    -16.09435311
  H     17.80675670      5.64253213    -10.73043228
  O     13.53098178      6.71987632    -16.11940746
  H     16.93606269      3.42748567    -14.81471258
  H     14.59375011      5.18463382    -18.49865663
  O     20.19744799      6.03702223    -14.60023213
  H     13.80600912      4.26763401    -11.34980509
  H     13.88144283      6.42062020    -17.95426762
  O     16.77687161      3.68642636    -13.01493269
  H     14.07322021      5.02596291    -10.04132529
  H     14.04460583      6.45842524    -12.70276678
  O     17.22835631      5.48184756     -9.97244295
  H     19.21779348      9.04455762    -15.53623230
  H     14.26011470      7.30133579    -11.42310909
  O     14.38901862      6.10572867    -18.71371110
  H     20.64291710      9.17067029    -16.12855331
  H     17.50720175      9.12632499    -14.13888481
  O     14.07810241      7.36838372    -12.36938544
  H     15.52331331      3.43169494    -17.02986731
  H     17.10457575      9.90383405    -15.39943416
  O     17.84943965      9.73839903    -14.80356814
  H     14.00545492      3.58778866    -16.93367789
  H     15.49254702      7.42927953    -18.84343860
  O     16.08184695      8.20394191    -18.79841533
  H     18.82917739      7.61156353    -17.11130137
  H     15.96493383      8.68473664    -19.61370535
          69
 Energy    -248.66405772613962     
  O     12.07957076      8.83851455    -16.04909576
  H     12.45792804      9.72200650    -16.09783233
  H     16.59695797      5.29179360    -15.89594414
  O     16.72266248      6.41434680    -12.95896809
  H     12.77312252      8.24990500    -16.37961010
  H     19.26594525      8.96882011    -14.60357789
  O     16.10478607     10.56253029    -11.69008803
  H     15.92603747      6.25944361    -12.43381166
  H     20.58572083      9.47749523    -13.97641028
  O     16.47364888     12.21453969    -16.06797631
  H     17.24186241      7.08059957    -12.48885930
  H     14.71052637     11.60651348    -16.28178849
  O     14.71091459      4.74902918    -16.16154550
  H     15.59681315     10.29027859    -10.91218410
  H     14.02775070     10.64297599    -17.24888874
  O     14.40531626      9.44569970     -9.82195764
  H     15.46541618     10.59081305    -12.41650014
  H     16.02322778      7.62890941    -14.12645526
  O     14.35110043      6.27779925    -11.53465726
  H     16.90667002     12.00019063    -15.22316119
  H     16.70507062      8.51026493    -15.18406954
  O     14.28288708     10.29962556    -13.76602677
  H     16.72538611     13.11039005    -16.27891804
  H     10.23528676      7.24025439    -14.01777485
  O     17.22489535      9.95187975    -17.66254486
  H     14.50735220      3.85969688    -16.43803562
  H     11.43561746      7.92879230    -14.70917882
  O     15.25880430      6.82268313     -8.92493081
  H     14.19801726      4.91170230    -15.34883897
  H     18.03695737      7.80089523    -10.08650315
  O     18.42105208      8.23254019    -15.91793286
  H     13.72381486      9.21106637    -10.46599986
  H     18.73176018      7.48492570     -8.75189965
  O     17.43556624      5.65116945    -15.58690350
  H     14.66995230      8.61507408     -9.41086991
  H     12.49082210      5.95121266    -14.00959822
  O     19.64497647      9.42524973    -13.83088445
  H     14.61920527      6.32521326    -10.60906730
  H     13.62087443      5.47708661    -13.08152739
  O     13.87409095     11.14558073    -16.43846538
  H     13.86970322      7.09807971    -11.71890313
  H     17.25540892     11.38523525    -12.95590331
  O     15.85801993      8.34641615    -14.75258149
  H     14.86419432      9.59488270    -14.09923951
  H     18.46865935     10.93295511    -13.79352915
  O     11.17964630      7.35946292    -13.96180977
  H     13.97614054     10.75291094    -14.55684720
  H     18.68205398      8.81999403    -12.36913147
  O     17.91224625      7.36981283     -9.22575716
  H     17.05277609     10.75629205    -17.15685080
  H     17.34766005      9.24407500    -11.69149891
  O     13.23700907      5.34222091    -13.95710956
  H     16.40598655      9.76903696    -18.13756431
  H     14.50520870      8.63814346    -18.12234338
  O     17.75261765     11.57809182    -13.76080486
  H     15.09204807      6.44163998     -8.06676358
  H     14.17919591      9.28675862    -19.48860344
  O     18.02877903      8.55518286    -11.71016356
  H     16.21758354      6.97639112     -8.98306792
  H     13.30225820      9.23942985    -12.66220840
  O     14.59916221      9.45118948    -18.64842512
  H     18.14198641      7.30699326    -15.97871727
  H     12.17505068      8.18839020    -12.60454819
  O     12.87706164      8.59268046    -12.08057798
  H     18.08845414      8.73980311    -16.67386455
  H     14.40975049      6.44313910    -16.80861963
  O     14.34255886      7.40253064    -16.87587934
  H     17.31783701      5.75781790    -14.63197481
  H     14.86084312      7.75650564    -16.13718713
          69
 Energy    -248.66371249203968     
  O     17.27000547      7.86839252    -12.32186481
  H     17.49305190      8.23987510    -11.45970805
  H     14.33922203      7.97118519    -15.28925276
  O     13.73811256     10.92773501    -11.67839976
  H     16.66830267      8.51673246    -12.72326782
  H     12.45720652     11.44131899    -16.30305441
  O     18.95101417      7.67083779    -14.45191841
  H     14.36761866     10.46369030    -12.25322971
  H     13.34474449     11.62690333    -15.05190730
  O     11.64659254      9.93713256    -13.25239472
  H     13.96938345     10.65345011    -10.78434976
  H     14.46757934      7.31893190     -7.37793778
  O     15.45443757      5.82725349    -11.96765140
  H     19.35375976      6.80949429    -14.52539529
  H     14.60712805      8.18785504     -6.10468063
  O     17.48382397      9.38171551    -10.02464525
  H     18.37614806      7.64705978    -13.66782664
  H     17.53562105      7.91374385     -8.85982781
  O     18.65323554     11.46522665    -11.59424179
  H     11.94767142     10.25786144    -14.11006343
  H     16.58445397      7.48447608     -7.73486718
  O     14.72100183      9.47499327     -9.48527355
  H     12.25455124     10.31475551    -12.60117710
  H     17.44875293     12.14234933    -12.92171645
  O     11.48853933      7.31270143    -12.72846369
  H     15.72398989      5.35040186    -11.17245665
  H     17.43275374     12.14561127    -14.47912944
  O     17.40399526      9.16710053    -16.36174606
  H     16.14233845      6.49080749    -12.12610096
  H     16.79157695      4.12779436     -9.13505696
  O     13.82637066      6.62693149    -14.22792213
  H     16.53517380      9.52894465     -9.89270916
  H     16.71067510      5.66957807     -9.05389924
  O     14.70218211      8.76339049    -15.71657045
  H     17.84347678     10.15088633    -10.48182628
  H     16.08827984     10.61610094    -13.52025430
  O     12.90701123     10.96144981    -15.61225352
  H     19.28220884     12.05230371    -11.18075971
  H     15.30566439      9.42921817    -14.16613050
  O     14.91419952      8.09940731     -7.00254966
  H     19.13087430     11.00309958    -12.30699223
  H     19.66964921      9.37025717    -13.96458224
  O     17.28451616      7.15735368     -8.31397823
  H     14.27308627      8.76206454     -9.96731106
  H     19.52319744     10.79584874    -14.51533246
  O     16.88223071     12.26700822    -13.69326747
  H     14.74954291      9.19044772     -8.56421810
  H     18.75106543     12.00761373    -16.70337025
  O     16.28426903      4.87901098     -9.43110039
  H     10.58729468      7.00535612    -12.76322295
  H     18.06006556     10.74153756    -16.13738700
  O     15.65092401      9.77550624    -13.33239864
  H     11.47365934      8.26402986    -12.94043577
  H     14.14855208      6.82597202    -11.18663834
  O     19.82933238     10.29668163    -13.74730015
  H     16.46402768      8.96954016    -16.25232157
  H     12.69891351      7.34735883    -11.32981076
  O     18.47074233     11.59194811    -15.89314980
  H     17.88881771      8.55325939    -15.79687786
  H     13.86244144     12.31495041    -13.00809560
  O     13.45828984      7.33297063    -10.73582645
  H     12.98273530      6.78620886    -13.78627082
  H     15.06189436     12.74295047    -13.86297350
  O     14.09682498     12.69673658    -13.86475483
  H     14.38871906      6.20045539    -13.57088203
  H     13.53214582      6.40410426     -9.12538368
  O     13.85765384      5.96937674     -8.32418309
  H     14.00530848      9.42703411    -15.79401531
  H     14.60069454      5.42853197     -8.61825713
          69
 Energy    -248.66360077418489     
  O     -1.20480585      3.11768773      1.76542899
  H     -1.12424085      2.63548498      0.92765108
  H      0.53524818      0.82291242      0.35503779
  O     -3.08144149      5.68155652     -0.90051166
  H     -0.71691333      2.60225816      2.42166592
  H     -0.23718610      3.88509680     -2.66399747
  O      4.21195063      6.59450950      0.70187195
  H     -2.96367684      6.39624670     -0.26267563
  H     -0.80396428      2.64028888     -3.40128781
  O      1.64685111      7.08050115      1.69150549
  H     -2.23990608      5.61323419     -1.36932944
  H      0.59785664      8.13879141     -1.57147343
  O     -0.47607749      5.46664161     -1.95973712
  H      3.87933947      6.41111027     -0.19540975
  H      0.89775359      8.55753822     -3.03217952
  O      2.69484078      2.91146219     -0.14780008
  H      4.99478238      7.12896701      0.59897013
  H     -3.72207658      2.02756259     -0.82701810
  O      0.69164562      4.76434372      0.43401009
  H      2.58612426      6.97333202      1.49239921
  H     -4.19833830      0.60804847     -1.22650868
  O     -2.48330869      7.61241550      1.10387065
  H      1.49264140      6.87653581      2.62245285
  H      1.60488836      3.03321996      3.75993267
  O     -0.87870853      1.62837198     -0.59215720
  H     -0.06900348      5.25577019     -1.10465083
  H      2.82004443      3.88842186      3.29496168
  O     -1.58041902      5.74423302      2.86434558
  H     -0.06052472      6.28071624     -2.26650964
  H     -2.93080829      1.82883504     -3.09328174
  O     -0.01822736      8.49355913     -0.01158764
  H      2.85019681      3.00089123     -1.09404726
  H     -3.12474189      2.69587261     -4.34294957
  O      1.32118410      0.72813001      0.90934075
  H      2.01869763      3.57131258      0.07133100
  H      0.40639454      0.81974084      3.95237998
  O     -0.02721853      2.97640317     -2.93439125
  H      0.99387951      5.55734957      0.89565463
  H      0.85591007      1.17635953      2.51381521
  O      0.94882696      7.82425620     -2.42588180
  H      0.05276670      4.31561981      0.99906199
  H      1.73225891      3.26560006     -2.98756947
  O     -3.55992515      1.28382719     -1.43673450
  H     -2.17312941      6.95758985      1.75423460
  H      3.11617597      3.14133831     -3.66201742
  O      2.07136366      3.86193796      3.90964397
  H     -3.14364979      8.14124150      1.54450384
  H      1.00528219      6.52628202      5.12051060
  O     -2.48704428      2.14331396     -3.89528397
  H     -0.48469923      2.07677590     -1.35210027
  H      1.31735086      5.34290100      4.16910725
  O      0.49782399      1.54599076      3.34176706
  H     -1.76390719      1.35810863     -0.86318745
  H      4.23604450      4.92030416      1.64275935
  O      2.66921484      3.51120340     -2.90468748
  H     -1.55374980      4.82093971      2.58970225
  H      3.73854069      3.52576478      1.26022149
  O      0.87415827      6.21057365      4.23124603
  H     -0.78590025      5.90100616      3.39033530
  H     -3.09043789      3.27713694      1.00784223
  O      4.06623037      4.04423683      2.00771673
  H      0.59403743      8.10728737      0.63105719
  H     -3.59853822      4.16557663     -0.14217706
  O     -3.74855030      3.31856213      0.30847139
  H     -0.90204937      8.27125500      0.30430866
  H      3.00310188      5.29574281     -2.19047461
  O      3.16884099      6.14687963     -1.77018681
  H      1.94590683      1.37915993      0.55975872
  H      2.45377842      6.73501178     -2.04354953
          69
 Energy    -248.66345381145538     
  O     -1.51887152      1.09902186     -1.77269262
  H     -0.93262278      1.85251928     -1.90766204
  H     -0.61796402      5.01907205      4.40039106
  O      0.37262757      3.21003140     -1.84067428
  H     -0.94218483      0.35994132     -1.53152971
  H     -2.41945451      1.09916562      4.67494277
  O      3.99969355      1.12583735      3.29095996
  H      0.53438241      3.90019817     -2.47803270
  H     -1.34094300      0.23605726      3.98488574
  O      0.77172280      0.77493917      1.45402330
  H      1.23908895      2.82067077     -1.62237613
  H      0.49464429      0.13782719      3.09185225
  O     -3.64970368      1.03639883     -0.13062769
  H      4.00962362      1.85190543      2.65530296
  H      1.02414385      0.14265373      4.55218330
  O     -2.54658836      2.57456479      1.93870382
  H      3.84949809      0.32745740      2.76819969
  H      2.54837743     -1.61936397      1.98484609
  O      0.21340081     -0.82938204     -0.80124555
  H      0.55928714      1.70233401      1.29884881
  H      2.33445658     -0.15587048      1.55798180
  O     -2.75122757     -1.04634681      1.62733848
  H      0.45297663      0.27744392      0.68999995
  H      2.89570777      0.64375171      6.16135482
  O      2.74000035      2.12525690     -1.09100039
  H     -4.45539319      1.06061951     -0.63918387
  H      2.98062775      1.14129222      4.70335632
  O      3.89574867      3.17145040      1.31889997
  H     -2.91229178      1.07425258     -0.76680122
  H     -2.41337053      3.76957722      4.79887970
  O     -0.89222198     -2.82831422      0.80661552
  H     -2.39591010      1.88526520      2.60218527
  H     -2.43265111      3.92218623      3.26950223
  O      0.28469709      5.26296909      4.67309577
  H     -3.03362606      2.15381165      1.21985113
  H      1.13790084      4.19672851      1.87831450
  O     -2.24359076      0.57468430      3.88460223
  H     -0.09049603     -1.61784400     -0.33162369
  H      1.44796469      4.81688069      3.24794886
  O      0.36868323     -0.25825541      3.96937492
  H      1.14672884     -0.93687069     -1.02046696
  H     -1.37518537      2.46715425      6.16754724
  O      3.00182672     -0.86049196      1.58903000
  H     -3.11443831     -0.40661576      1.00354108
  H     -2.70086499      2.32046358      6.95369237
  O      2.38140979      1.04308921      5.46388804
  H     -2.67809755     -0.58313625      2.47175143
  H      1.05706542      2.28666728      5.93751677
  O     -2.23467925      4.39682243      4.08653799
  H      2.89844408      1.17647808     -1.14621586
  H      0.44077745      3.68750245      5.70509304
  O      1.86394343      4.52501577      2.43030464
  H      3.14963183      2.43329590     -0.27254447
  H      3.71697057     -1.26507406     -1.55127292
  O     -2.33675617      2.33476371      6.07306493
  H      4.64181558      3.75608997      1.20914113
  H      3.16194343     -0.87434668     -0.15963956
  O      0.31679011      2.85544826      6.17931985
  H      3.19402690      3.69525929      1.74831092
  H     -0.08115273      3.40034111     -0.04290216
  O      3.03651637     -0.75691724     -1.11790059
  H     -1.57894219     -2.21768700      1.13262305
  H     -1.00344176      3.15099131      1.20879416
  O     -0.10628181      3.36910363      0.92086357
  H     -1.33121313     -3.65154815      0.60948538
  H      0.90321538     -1.95281799      3.30736813
  O      1.24460772     -2.64265085      2.72123075
  H      0.22956172      6.14410839      5.03410239
  H      0.53378742     -2.81501811      2.09192343
          69
 Energy    -248.66338348608772     
  O     11.58360789     10.63029406    -13.57118910
  H     11.91780800     11.41871785    -13.13450119
  H     15.64797197      7.85645548    -16.95931800
  O     17.13596597      7.24887318    -14.31314969
  H     12.09315301     10.57144492    -14.39280936
  H     20.70887616     10.52756660    -15.00538048
  O     17.73146706     10.43595909    -11.18683866
  H     16.95867402      7.21227312    -15.26132845
  H     19.61325343      9.80111235    -14.19040007
  O     16.13627971     13.86407436    -14.12039998
  H     16.46408092      6.74732496    -13.82960419
  H     14.50424897     13.19433474    -13.44991527
  O     13.97364902      8.09673075    -16.67302978
  H     16.77496403     10.55172502    -11.28266993
  H     13.63847865     12.08006271    -14.02983030
  O     15.80285673      7.27140870     -9.14380078
  H     17.87408791      9.99545758    -10.34005831
  H     16.37995417     10.16282613    -14.88203618
  O     15.25759469      6.16792782    -12.62448671
  H     16.42235183     14.77344006    -14.08599158
  H     16.17406581      8.80987313    -14.18220989
  O     15.05232833     10.64418349    -11.81281531
  H     16.88038922     13.32726569    -13.79599770
  H     10.66018991      7.90269434    -12.22682882
  O     15.44702277     12.42864591    -16.52624235
  H     13.63229056      7.56696522    -15.93535355
  H     11.50935957      9.04283787    -12.83465925
  O     16.99611830      5.14521398    -10.67715551
  H     13.66425291      8.99497479    -16.52098344
  H     19.24086003      7.41993080    -11.50682282
  O     17.42511847     10.41611018    -16.42488934
  H     15.08679925      7.59118400     -9.70913012
  H     18.85972164      7.54870339    -10.02230858
  O     16.61256072      7.73379294    -17.03835167
  H     16.11754034      6.45518449     -9.55087485
  H     12.52209477      7.16876926    -13.81247769
  O     19.76711957     10.48994992    -14.85959016
  H     14.84918357      6.88238406    -12.11348428
  H     13.82952738      6.36276128    -13.87173480
  O     13.73663025     12.64133747    -13.25070718
  H     15.81400646      5.67903264    -12.00505062
  H     18.10874862     11.77745008    -12.45927609
  O     15.84000682      9.71355489    -14.21927606
  H     15.37647166     10.29117049    -12.65919106
  H     18.79264735     11.83253448    -13.83740332
  O     11.55269955      8.14676338    -12.45812305
  H     14.53473143     11.41993642    -12.05689444
  H     18.40027295      8.12470030    -13.42634585
  O     19.07618712      6.90425070    -10.70808015
  H     15.69757708     13.00497742    -15.79373428
  H     18.54009675      9.26507018    -12.35882052
  O     13.13603261      6.74500363    -14.42340047
  H     16.19241206     11.82650083    -16.65646238
  H     17.17206045      8.32224671     -8.91649207
  O     18.20327958     12.32073428    -13.25244628
  H     17.78513927      5.71362746    -10.72990185
  H     18.18252061      9.01985739     -7.97351010
  O     19.03742257      8.67560126    -12.94535233
  H     17.29643602      4.28181891    -10.40645458
  H     13.11731456      8.13347355    -11.45739589
  O     17.99611318      8.84197145     -8.89128203
  H     18.29864144     10.42716763    -16.01291320
  H     14.33988584      9.07191032    -11.28198684
  O     14.01738057      8.17557345    -11.11137845
  H     17.25003374      9.51537094    -16.72753586
  H     14.25209404     10.20492736    -15.02133175
  O     13.58509118     10.71092603    -15.51072223
  H     16.76035065      7.23072940    -17.83445701
  H     14.08460269     11.36270855    -16.02646238
          69
 Energy    -248.66335957109112     
  O     14.29493188      3.24757315    -10.72338116
  H     14.36759756      2.30704088    -10.51800775
  H     16.99311025      4.81778268    -15.13715751
  O     12.32382131      3.56041759    -12.67852058
  H     13.64016711      3.32308358    -11.43355027
  H     15.69952740     10.08488382    -10.49806830
  O     16.72308063      3.56158622    -12.11795145
  H     11.72958462      4.15490122    -12.20487507
  H     14.78224774      9.10532240     -9.75541069
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  H     14.31120781      6.29656716    -11.43913237
  O     14.54603089      0.46684291    -10.64155797
  H     15.93141519      3.55794477    -11.56209199
  H     13.77452531      4.81216422     -9.99820882
  O     17.61820226      9.13354460    -13.14967000
  H     12.18842687      6.61945101    -14.05051564
  H     12.55686952      5.75097738    -10.25414558
  O     17.57067151     10.26740809    -10.70099024
  H     12.25755246      7.94557237    -13.26012608
  H     14.35429673      0.69911940    -14.24036192
  O     13.69439055      5.25776905    -14.45136394
  H     13.40616705      0.62330880    -12.20887665
  H     15.03793710      0.00151065    -15.44228990
  O     15.43053450      9.69685725    -14.88094811
  H     12.64363118      1.71610684    -12.99059766
  H     11.19056208      6.27868193    -12.06138070
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  H     15.35248637      0.47560583    -11.18901148
  H     10.10302230      5.81518312    -11.06174108
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  H     14.63768003     -0.25277241    -10.02359615
  H     16.46901011      6.41135264    -12.35588106
  O     14.77804435      9.80671750    -10.41726671
  H     17.63648932      8.17806029    -13.03288387
  H     17.67125239      6.66497397    -11.42250872
  O     14.71505386      6.58308105    -12.26605633
  H     16.91419954      9.32848489    -13.78052588
  H     16.08014085      3.45682895    -13.81560170
  O     13.45130933      5.71911089     -9.89062756
  H     18.19030774     10.98795772    -10.62974805
  H     15.56501830      2.49040469    -14.90747302
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  H     17.63114181      9.93345676    -11.61466350
  H     16.90623776      1.66693882    -12.24337584
  O     11.01369284      5.68250632    -11.31105501
  H     14.35158531      4.58932166    -14.69789156
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  H     14.07122306      5.73134985    -13.69107901
  H     14.42294282      6.90553992     -8.98253544
  O     15.73380454      3.42105644    -14.71985984
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  H     14.85532700      7.58929314     -7.66778440
  O     16.65856495      0.73584167    -12.32222960
  H     15.44339273     10.35498151    -15.57043036
  H     17.73356351      8.47949174    -10.02657486
  O     15.01476960      7.57803276     -8.60875627
  H     14.60733871      6.61062391    -15.62383421
  H     16.79560245      7.46325388     -9.36838350
  O     17.63332187      7.53690446     -9.84099778
  H     16.13100216      6.75225704    -15.73280908
  H     14.21567741      9.41748647    -13.50818229
  O     13.65853745      9.07430540    -12.79788440
  H     17.64681986      5.84462816    -14.19229032
  H     13.97875405      9.44393492    -11.95986176
          69
 Energy    -248.66326209800712     
  O      9.99097818     13.35912760    -10.23398534
  H      9.20059349     13.89359672    -10.25946472
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  H     17.69252579     11.04646367    -13.85506426
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  H     10.19256456     12.22646187    -13.60844534
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  H     13.76964164     10.96997465     -7.77512081
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  H     11.69378744     13.93430660     -9.59812819
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  H      9.44525488      9.20572764    -13.97802002
          69
 Energy    -248.66306965307695     
  O     -2.02694187      3.56417869      3.79542125
  H     -2.82968455      3.87464317      4.23108701
  H     -6.30047818      4.45413696      1.52824739
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  H      1.12127999      5.35818432      0.70792743
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  O     -4.78648486     -1.02822055     -1.33580825
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  H     -5.19191366      3.58152654      4.41885115
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  H      0.37632785      0.01955549      2.74556867
  H     -2.48349912      3.65689575      0.48809921
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  H     -5.36624516     -0.95159383     -0.56640430
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  H     -3.91624881      5.02464965      1.58352987
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  H     -7.47512628     -0.85936656      4.29041140
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  H     -6.63769476     -0.50538411      1.82220378
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  O     -6.88787396     -0.33805165      3.75072163
  H     -5.39261756      0.16784672      1.24834075
  H     -1.65404597      1.02460495     -0.29304393
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  H     -1.34704420     -0.48693139     -0.43574778
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  H     -7.06368318      2.65781750      0.09450572
  O     -6.98762660      1.92947443     -0.53272880
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  H     -6.87364486      1.12671117     -0.00567334
          69
 Energy    -248.66294455501091     
  O      1.94386001     -0.94403313      3.22020680
  H      2.80273277     -1.22120509      3.52785161
  H     -2.50001037      4.87305942      0.81870075
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  H      1.97701325     -0.95575055      2.24627590
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  O     -0.47657743     -2.30972984      3.99842714
  H     -1.88505425      0.08874595     -3.04621313
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  O     -4.35302047      0.05922230     -1.20271936
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  H      0.38073076     -1.91013501      3.81243843
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  O     -0.37272119     -2.03212835     -0.61565808
  H     -0.97498916     -1.66027617      4.51661110
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  H     -4.22067936     -0.82439100     -0.82821344
  H     -3.22646618      1.36276458     -0.65437066
  O     -4.40892733     -2.21560426      3.33549817
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  O     -1.98000777     -0.27716251      5.25264292
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  O      0.61477181      3.15621459      1.01642578
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  H     -1.54741096      2.71418583      4.90940310
  O     -2.45263623      1.90709191     -0.45261493
  H     -4.38635773     -1.26123283      3.48014616
  H     -0.69744508      2.90814388      6.19065070
  O     -1.77127223      0.41753435      1.80869831
  H     -3.54328722     -2.43152746      2.97228332
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  O     -3.99348452     -2.52335965     -0.18348175
  H      0.14890767      1.72620689      4.00783866
  H      2.52657904      2.12007466     -1.26663605
  O      1.91789119     -0.84558521      0.51596039
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  H     -1.39088442     -2.52062282      2.50922292
  O     -0.82284842      2.33470355      5.44004148
  H      0.28554243      0.91152972     -1.68787374
  H     -1.93090076     -1.32553622      1.70765284
  O      1.76414848      1.66855808     -0.91511306
  H     -0.50823611     -0.38949895     -1.40178216
  H     -7.02739935     -3.10464370      1.66792297
  O     -1.94007959     -2.29611237      1.74184372
  H     -4.77402967      0.63225040      2.65251982
  H     -5.69791881     -2.50692579      2.19160853
  O     -6.30470997     -2.53097551      1.42920507
  H     -3.23477568      0.56208779      2.82525768
  H     -5.48711056      0.39681209      0.34790755
  O     -5.86066644      0.31569692      1.23346129
  H     -2.31596916      3.36347589      0.54364346
  H     -6.18980317     -0.59052769      1.28466671
          69
 Energy    -248.66285696186563     
  O     10.33644783      9.35554462     -8.96806948
  H     10.37422659     10.08002722     -9.61656468
  H     13.80574570     12.11782646    -13.81339670
  O     13.73545749      9.14084092    -16.93972290
  H      9.44280260      9.33341187     -8.63399785
  H     16.74773090      9.51354243    -11.58293283
  O     11.36848614      7.47305711    -10.90903689
  H     14.16115125      9.08563198    -17.79106222
  H     17.99761118     10.42083405    -11.50024605
  O     14.34472595      8.41731507    -14.29571272
  H     13.41909667     10.05684811    -16.84307671
  H     15.41966395      7.76185622    -11.39373034
  O     12.65932496     11.62270167    -16.58787927
  H     12.28597208      7.35845825    -10.62626525
  H     15.59059272      7.97552942    -12.90956378
  O     11.71516051      8.48430560    -13.44077583
  H     10.95064510      8.00371961    -10.22155895
  H     14.16704151     15.48196415    -12.02252098
  O     14.79235894      8.14465168     -7.48672189
  H     14.25817490      8.56960200    -15.24511315
  H     14.63443652     14.06247298    -11.62878386
  O     13.37845560     10.37696446    -10.87201469
  H     13.44314394      8.34421330    -13.94613435
  H     13.80270068      8.68136408    -10.37543796
  O     12.65068783      9.80140334     -7.36005137
  H     12.87142079     12.15619387    -15.81155286
  H     14.33296112      7.76155717     -9.24157112
  O     15.79995103     13.05632038    -10.74040517
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  H     11.61863894     11.79090211    -13.70146788
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  H     11.42780000      9.40518292    -13.40843617
  H     10.39845053     11.12569728    -14.38838405
  O     13.11795925     12.76700349    -14.03130841
  H     11.51905354      8.08126313    -12.58294269
  H     14.94443261     11.47943476     -8.40291291
  O     17.05440150     10.41109716    -11.35182940
  H     13.99713607      8.69235564     -7.35355608
  H     13.85245065     11.38542654     -9.48490090
  O     16.06618367      8.01112107    -12.07009453
  H     14.88173851      7.59258817     -6.71483352
  H     14.74730272     10.01917382    -13.64042637
  O     13.89151017     14.56863588    -12.00128130
  H     12.44828716     10.62237939    -10.95200625
  H     15.71276779     10.82175854    -12.72136022
  O     14.06664475      7.77062118    -10.16868361
  H     13.82274155     10.59754382    -11.69905365
  H      9.12291726     10.85241975    -16.66392617
  O     10.86412519     11.20421825    -13.54685195
  H     11.84528052      9.62858279     -7.86406462
  H     10.24782476      9.88137528    -16.22708071
  O     14.13349081     11.90940439     -8.71515459
  H     12.99533769     10.64654373     -7.66945030
  H     15.97426449      9.51798284     -8.10019184
  O     14.88883899     10.87818596    -13.21456750
  H     15.30343946     12.81959997     -9.94635390
  H     16.63405740     10.21414047     -9.31629857
  O      9.93504908     10.80248468    -16.16794037
  H     16.31721241     12.27313144    -10.94939120
  H     12.63124590     13.96313034    -10.67443465
  O     16.36337435     10.34941567     -8.40312421
  H     10.59213572     11.33251210    -11.76916790
  H     12.76364743     13.16249426     -9.36545839
  O     12.11811235     13.52404694     -9.98512564
  H     11.08479199     12.16967130    -10.53243424
  H     11.95286832      8.45142166    -16.53983126
  O     11.07117496      8.33928563    -16.16459127
  H     13.27535805     13.51259816    -13.44141480
  H     11.20913567      8.19526348    -15.21729626
          69
 Energy    -248.66282344686391     
  O     12.23750402     11.12153636    -16.36951442
  H     12.80117789     11.46733944    -15.67241428
  H     16.36847837      6.52328096    -16.70415700
  O     15.47864200      7.34025748    -13.05827572
  H     11.53977500     10.62802807    -15.91104816
  H     18.89410730      9.49212802    -13.29950467
  O     15.27274195     11.37098628    -11.48204653
  H     15.31675582      8.01101938    -13.74041797
  H     18.11967958      9.49584353    -11.95631676
  O     16.32396382     12.48599453    -14.89577704
  H     15.93843290      7.78844970    -12.33463491
  H     16.96650264     11.11665543    -15.87655728
  O     13.40480484      7.54030279    -16.79035012
  H     16.09616817     11.84986663    -11.64318532
  H     16.86067824     10.08667470    -17.08319495
  O     13.02455029     10.98064363     -9.90946601
  H     14.79490555     11.37910792    -12.32248375
  H     14.40004514      8.67322260    -15.66614085
  O     12.78097741      7.57638090    -12.41408058
  H     16.83235826     12.58200478    -14.08002921
  H     15.74791143      9.45215412    -15.47447052
  O     13.84151256     11.38558313    -13.92231597
  H     15.41266894     12.33766274    -14.61805018
  H     10.77664549      9.90740690    -13.91470351
  O     17.16983424      6.52512440    -15.17085425
  H     14.20297455      7.07847004    -17.08178367
  H     10.73456947      8.68716581    -14.84712014
  O     13.10272821      8.11145806     -9.62719187
  H     13.21066220      8.22523600    -17.44541442
  H     15.75357875      6.95810161     -8.20537135
  O     19.04922261      8.64961802    -14.99259060
  H     12.92003645     11.63437583     -9.22264263
  H     14.73969649      7.77134378     -9.03069600
  O     15.89176059      6.56016258    -17.55310884
  H     13.86733342     11.17213650    -10.35285422
  H     12.19294798      7.08376026    -15.56712166
  O     18.73862365     10.00528718    -12.49883119
  H     12.30169359      7.24567590    -13.18331879
  H     11.04371398      6.14512447    -15.13417621
  O     17.24243960     10.24969683    -16.20799206
  H     13.71848793      7.40170348    -12.57981877
  H     18.32688937     13.10174488    -12.04284578
  O     14.93602060      9.16667263    -15.03474755
  H     13.05910935     11.09558385    -13.43209233
  H     18.13755767     11.61723178    -12.44199750
  O     10.52044518      9.62633876    -14.80301711
  H     14.22445650     10.58463823    -14.31862538
  H     16.10328677      9.70012624    -11.14549082
  O     15.68305664      7.69331611     -8.80777376
  H     16.62547710      6.61062827    -14.37757428
  H     16.40015970      8.47160733    -10.23050798
  O     11.53483725      6.91988494    -14.87121262
  H     17.88958420      7.16055917    -15.06910120
  H     15.03364741      9.54349002    -18.53008245
  O     17.68642204     12.47936321    -12.37573501
  H     12.89708670      7.81167630    -10.52166784
  H     16.00171050      8.37522844    -18.24500078
  O     16.62488905      8.89080450    -11.07407708
  H     13.00407860      9.07123546     -9.63619860
  H     12.04387750     10.55466616    -11.49104344
  O     15.96755529      9.32253951    -18.42792075
  H     19.89026442      8.68660331    -15.44161612
  H     12.19443310      9.30052347    -12.38310472
  O     11.86821771     10.21383845    -12.37523690
  H     18.45136911      9.25720240    -15.46479105
  H     12.62714227      9.96991099    -19.25857569
  O     13.13188333      9.73349912    -18.48529696
  H     16.17924074      5.80579274    -18.06034496
  H     12.81879399     10.30566496    -17.76054107
          69
 Energy    -248.66280198970031     
  O     12.80044109     11.64628848    -15.31206671
  H     13.58310404     12.19921302    -15.20758445
  H     16.81860685     10.81744950    -16.82205672
  O     15.34494903      6.43211994    -13.55855724
  H     13.04444296     10.95486313    -15.94387968
  H     14.68992121      9.18969126    -15.30565853
  O     17.81609426     10.06888307    -11.98845210
  H     16.18978231      6.64077659    -13.13950618
  H     15.27884195      8.16108027    -14.30514021
  O     12.40171732      7.05806589    -16.52868060
  H     14.64847715      6.65305689    -12.92478316
  H     11.90278948     10.96314919    -14.00587281
  O     14.52341094      9.57109548     -8.91798276
  H     17.00134305     10.52456585    -12.24723503
  H     10.55541431     10.94823173    -13.24655363
  O     13.40564360      7.30644703    -11.79724364
  H     17.75981779      9.91062444    -11.03521190
  H     18.05714708      5.79889972     -9.62066741
  O     15.48564892     11.16792739    -12.90208455
  H     12.14213206      7.27909329    -15.61505295
  H     17.60878400      6.66234677    -10.81974640
  O     17.18848788      6.96817750    -17.32659426
  H     11.64635424      6.64037425    -16.93324989
  H     12.22244267      7.43880440    -13.24583156
  O     14.62337347      6.73358671     -9.40382954
  H     14.06947594     10.04708596     -8.22688090
  H     11.54772528      8.69503324    -13.81916909
  O     18.81450253      7.54686321    -15.00027045
  H     14.08963951      9.81374442     -9.75275444
  H     18.65471027     10.28327227    -13.54530090
  O     14.98964812      5.91301449    -16.22582157
  H     13.45751191      8.26772159    -11.71500330
  H     19.89277756     10.73618766    -14.34583884
  O     17.11296270     11.51823917    -16.22972260
  H     13.73113310      6.95095827    -10.95775451
  H     17.71750116      8.23682509    -12.29675685
  O     15.28448173      9.09141491    -14.55421194
  H     15.41569585     11.95637204    -13.44982621
  H     18.21735991      7.21511139    -13.33982269
  O     11.40964156     10.52668536    -13.28740751
  H     15.41792373     10.40792211    -13.51028230
  H     16.41167047      9.47456218     -9.17810267
  O     17.44286539      6.48126495     -9.87924270
  H     17.64121368      6.27806072    -17.80472448
  H     17.44293975      8.35489636     -9.40543647
  O     11.73581931      7.76892238    -14.01229039
  H     16.38857741      6.56282347    -16.94293740
  H     16.49846921      9.59657354    -18.97977801
  O     19.02301089     10.35445791    -14.44205032
  H     14.57643664      7.64592251     -9.09090415
  H     16.61212664      8.59034101    -17.81255956
  O     17.77670102      7.28918522    -12.48058960
  H     15.56233920      6.54768614     -9.52888348
  H     14.18517618     10.54130711    -11.86604194
  O     17.33737673      9.31430660     -9.40050251
  H     18.25314905      7.38156484    -15.76565329
  H     12.66122805     10.29667045    -11.92781386
  O     16.24447054      9.45090877    -18.07125399
  H     18.90743286      8.50614324    -14.93528340
  H     15.92947686     12.53995348    -15.46147452
  O     13.44754127     10.12514105    -11.39499032
  H     14.08860332      6.21387040    -16.38835303
  H     15.46920494     13.97859539    -15.12931996
  O     15.27009089     13.06068456    -14.96776571
  H     15.11359193      5.94655603    -15.26497346
  H     14.49238006      9.46849375    -17.40587868
  O     13.68433843      9.52554944    -16.88088958
  H     17.75237245     11.11318683    -15.63006697
  H     13.23765317      8.66922313    -16.90765494
          69
 Energy    -248.66267958332696     
  O     16.06770883     10.83156993     -9.93000691
  H     16.36594224      9.96466758     -9.62799054
  H     14.33891682      7.44418551    -13.88151513
  O     12.91636261      5.81895776    -11.41561437
  H     16.29768224     10.88486259    -10.86695045
  H     16.45085166      4.92264328    -15.37244998
  O     16.29967668     10.84312509    -12.74052660
  H     13.18246416      6.51238305    -10.79472223
  H     15.24280867      5.59590102    -14.64311142
  O     17.30650892      9.32572765    -14.81257690
  H     13.70480506      5.28795032    -11.57674969
  H     18.74716374      6.62708879    -14.28410967
  O     14.30771638     12.66457527    -13.62230939
  H     16.77109117     10.44787829    -13.48755273
  H     17.28970043      6.20617512    -13.99286529
  O     13.93593016      7.94438188     -9.94573208
  H     15.70490552     11.51893194    -13.08849678
  H     14.46669598      8.35354027    -11.66538816
  O     15.06085569      8.69933455    -16.42067389
  H     17.52711330      8.49375210    -14.36812559
  H     15.23349893      9.36135459    -12.58369670
  O     13.42675450     10.71658557    -15.55847812
  H     16.52619279      9.15481002    -15.35718096
  H     12.91739282     11.10861509    -10.49281392
  O     17.46373531      5.20812704    -16.82011553
  H     13.54424304     12.48359064    -13.05079023
  H     14.25723463     10.80524312     -9.78018864
  O     11.43549135      6.68074541    -13.50137856
  H     14.40814961     13.61325970    -13.65464521
  H     15.48030424      3.45290358    -11.72493203
  O     17.21011680      6.40043585    -11.06062917
  H     13.57456005      8.83555299     -9.81693149
  H     15.59679417      4.48434934    -12.86807150
  O     14.02668275      6.88648925    -14.61345552
  H     14.80191564      7.93223192     -9.51942245
  H     12.99432885      9.22444570    -13.05619190
  O     15.98955433      4.98985268    -14.52375784
  H     14.51069544      9.48024430    -16.26273520
  H     11.65153138      8.58406275    -13.43473327
  O     17.98023991      6.83250232    -13.73441523
  H     14.67064978      7.98714025    -15.89477493
  H     16.89938281      7.52103647     -9.79052389
  O     14.61574077      8.62039692    -12.58153766
  H     12.83895178     10.25426553    -14.94739508
  H     17.09104459      7.88964269     -8.30036270
  O     13.30890209     10.59674761     -9.78040931
  H     13.77854542     11.46070566    -15.05677145
  H     19.70202368      7.15975003    -16.20608877
  O     15.35941604      4.37693556    -11.93140091
  H     17.18273339      5.93566287    -17.38863742
  H     20.83046857      6.16646573    -15.83608877
  O     12.09583674      9.43536269    -13.35682202
  H     18.35083931      5.44146142    -16.51965165
  H     16.37725224      7.67084173    -19.16728200
  O     16.61330270      8.13300542     -9.08863286
  H     11.91154324      6.34947204    -12.71635203
  H     16.08353389      8.00578952    -17.68769835
  O     19.89568434      6.32572380    -15.74136651
  H     10.66552138      6.12979988    -13.60827897
  H     18.33708791      8.30879220    -17.54905739
  O     16.72180214      7.57664168    -18.28285804
  H     17.59725187      6.63741375    -11.91286389
  H     18.56969415      9.04902656    -16.22493035
  O     19.03258479      8.60293458    -16.94686043
  H     16.57921471      5.69482750    -11.24460528
  H     11.96143903     11.00103353    -12.54266742
  O     12.09366173     11.87187868    -12.12905623
  H     13.09596517      6.71492540    -14.43235499
  H     11.22637285     12.22145628    -11.93902643
          69
 Energy    -248.66257249183121     
  O     15.89304404     11.67803787    -12.58024936
  H     16.42667956     11.16800837    -11.94896496
  H     13.08658380      8.10571808    -13.00583967
  O     17.36777945      8.03249275     -7.37357742
  H     16.40542708     12.45378565    -12.79726879
  H     12.81239009     11.20691267     -8.24563002
  O     15.75307397      5.25164524    -11.57485252
  H     16.71832156      8.71661628     -7.58665817
  H     13.44611802     11.74227670     -9.54491378
  O     12.10844455      5.45404721    -11.04806964
  H     18.08008028      8.15414615     -8.01294296
  H     15.74458593      8.80301976    -13.74592341
  O     18.07976706      5.74754104    -10.02883598
  H     15.12010431      5.10132079    -12.28718319
  H     15.49578625     10.28010155    -14.01298422
  O     16.60720631      5.43814672     -7.58762503
  H     15.23487847      5.33220895    -10.75932016
  H     18.79776649      7.35734136     -9.85781524
  O     17.24138044      9.96940299    -10.81872283
  H     12.76427303      5.36815505    -10.34584699
  H     20.09722269      8.16134772     -9.63639517
  O     10.20561300      9.79048135    -10.21432004
  H     12.57427956      5.26588578    -11.87169794
  H     13.96504144      6.44647605     -8.95480384
  O     15.60942963      9.88277420     -8.49036220
  H     17.67172769      5.52577186     -9.18199836
  H     15.02302130      5.38680261     -8.59845021
  O     13.41409407      8.71499740    -11.34231127
  H     17.43669674      5.47501638    -10.69458129
  H     12.55102792     11.55614886    -11.93625480
  O     10.02686801      7.19011819    -11.34660372
  H     16.82961345      4.96445216     -6.79068579
  H     14.12819937     11.66755414    -11.90809669
  O     13.13305370      7.85856358    -13.94394996
  H     16.83380658      6.37288709     -7.43034949
  H     11.37050221      8.43811177    -13.98972622
  O     13.56868948     11.69993408     -8.58606796
  H     16.82148800      9.23060836    -11.29103622
  H     10.26642925      8.19005708    -12.94868598
  O     15.37792881      9.40965448    -14.40645083
  H     18.02160188      9.57947805    -10.40728096
  H     10.73158598     10.40786837    -13.08834055
  O     19.14655883      8.23746637     -9.62835081
  H     10.38663872     10.36754155    -10.96352005
  H     10.23736794     11.87164435    -13.04646018
  O     14.29373515      5.56912658     -9.20415347
  H     10.15091134      8.89378968    -10.57026886
  H     10.95401121      9.89711815     -8.66744038
  O     13.33910383     11.49087960    -11.38069229
  H     14.98560102     10.62247790     -8.44098867
  H     10.81298532      9.98361190     -7.12774747
  O     10.52154551      8.77548288    -13.67321087
  H     16.13638757      9.99662578     -9.29067081
  H     13.47153588      6.11834124    -13.72838915
  O     10.85749808     11.26687535    -12.64753481
  H     13.36459223      9.68001036    -11.32207367
  H     13.44779355      4.65758172    -14.23230811
  O     11.45205196      9.90026599     -7.82986162
  H     13.31195946      8.41256438    -10.43250328
  H     12.73847780      8.62515283     -8.25098366
  O     13.63154142      5.19592063    -13.46656442
  H     10.78176965      6.59288374    -11.20859216
  H     14.25982916      8.68163653     -8.55150880
  O     13.47185523      8.12201427     -8.62525879
  H      9.24225079      6.66526999    -11.20630047
  H     16.02253176      7.01261489    -11.94272215
  O     15.96214487      7.96329543    -12.08703549
  H     13.83472877      8.40856488    -14.31965094
  H     15.06951969      8.22394683    -11.81318160
          69
 Energy    -248.66245872026346     
  O     11.54245245      9.93492974    -15.68506473
  H     11.92989641     10.79976102    -15.50416150
  H     19.74646686      8.91744679    -14.22368043
  O     16.26394834      6.87780569    -12.79455468
  H     11.07537231      9.66018764    -14.88671360
  H     15.30061499     10.83893675    -17.04919578
  O     16.52731803     11.18716683    -11.75879792
  H     15.39847839      6.82172649    -12.36761374
  H     15.98495181     11.60237388    -15.89063878
  O     17.19143758     11.16893328    -14.53620128
  H     16.82781328      7.44214103    -12.24325202
  H     15.74579407      8.29717965    -13.78991320
  O     13.57442970      9.63966410     -8.98364596
  H     16.40464226     11.26684222    -10.80393716
  H     16.11788728      9.63967087    -14.50558514
  O     13.79173133      7.00173657    -11.57952033
  H     15.63455894     11.19971602    -12.13366025
  H      9.50920792      8.35296604    -13.31181507
  O     14.01905413     10.99106917    -12.99125164
  H     18.08875491     10.93600214    -14.80674316
  H     10.96063183      7.89158797    -13.58619850
  O     17.88339382      8.43855885    -16.81403291
  H     17.18256949     11.33272373    -13.58556617
  H     17.39798078      8.40182446     -9.77295321
  O     14.64334584      6.95881746     -8.90249797
  H     13.82279734      8.71963840     -8.83426699
  H     16.67776674      9.33966851     -8.79939397
  O     19.56071923     10.17790666    -15.62629079
  H     13.02638532      9.63502655     -9.78026670
  H     12.68650873      6.96440354    -14.69511928
  O     17.89365259      6.30091405    -14.92066831
  H     13.31563080      7.84424537    -11.57284919
  H     12.77540979      6.58941561    -13.18704267
  O     19.61261445      8.21846365    -13.57185522
  H     14.04144103      6.83775170    -10.66063451
  H     17.45251858      9.56732203    -11.65869243
  O     15.26352652     11.65209140    -16.53277898
  H     13.63681759     11.57554924    -13.65699535
  H     18.58483275      8.60283221    -12.16183569
  O     15.39774883      9.02281475    -14.32181254
  H     14.41991144     10.25119448    -13.47419136
  H     15.84805702     11.74923329     -8.31777012
  O     10.40878793      8.66444146    -13.36586950
  H     17.79255816      7.65941516    -16.25095035
  H     15.00681458     10.64373982     -8.99728683
  O     16.93055342      8.41729065     -8.92597673
  H     17.01777609      8.61556587    -17.20018511
  H     14.63712643      8.65207309    -17.34199052
  O     12.16991632      6.67057201    -13.93418220
  H     15.50664999      7.41044335     -8.89190143
  H     15.05393089      8.96525496    -18.79564860
  O     17.86484281      8.70423152    -11.52202521
  H     14.65440172      6.32875367     -8.18718021
  H     11.58152234      9.23400113    -12.03131693
  O     15.87057948     11.09459922     -9.01074503
  H     18.99618979      9.57243006    -16.14358660
  H     12.89948998     10.05209407    -11.97836174
  O     15.31609123      9.08488423    -17.88597298
  H     20.22393241     10.51792151    -16.21999421
  H     13.79691369     12.14211500    -15.74584962
  O     12.35375982      9.42192581    -11.48479092
  H     18.02685946      5.36586538    -15.05612043
  H     12.75942882     13.24681334    -15.43072154
  O     13.00820263     12.35279902    -15.21310369
  H     17.26756566      6.38721560    -14.18254779
  H     12.78530059      8.70817145    -16.02747312
  O     13.52311610      8.07821254    -16.06347251
  H     19.18722718      7.49617428    -14.04924636
  H     14.18928331      8.39599433    -15.43312574
          69
 Energy    -248.66220565670579     
  O     17.67380481     10.27097008     -7.43525557
  H     17.49137722     10.94353491     -6.78445612
  H     15.85381249      8.61051277     -9.57377330
  O     19.20543097      5.41167112     -9.88202018
  H     18.40060886     10.60821078     -7.98974635
  H     20.29336678     10.39065567     -9.17635960
  O     19.22481247      4.82145744    -13.66410649
  H     18.68517731      4.87978732    -10.49835757
  H     19.43913081     11.32809119    -10.04594172
  O     18.71613234      7.61243403    -13.48643724
  H     19.01661161      6.34032257    -10.10392361
  H     15.47666506      8.55688075    -14.52813398
  O     22.62609721      7.99109747    -11.82653526
  H     18.59566958      4.46870960    -13.01319683
  H     16.20463373      9.10328344    -13.27494308
  O     17.44724515      4.16012181    -11.67014895
  H     19.23509116      4.20931077    -14.39594703
  H     20.75581979      5.29897710    -12.56170054
  O     20.65740125      9.60179779    -13.13290189
  H     18.87541754      6.67481115    -13.64531817
  H     20.77522427      5.47156220    -11.04272135
  O     20.49634290      6.79449196     -7.64267453
  H     17.80092726      7.80470609    -13.72848097
  H     14.30162037      4.72684837    -11.55224978
  O     21.10105268      8.76907421     -9.57188142
  H     23.56042638      7.85548840    -11.95992564
  H     14.49252589      3.66105834    -10.46281693
  O     18.68105619      7.95476471    -10.68116738
  H     22.20826260      7.11266913    -11.85818213
  H     14.17809256      6.70402492     -9.26405610
  O     17.95904987      7.48244412     -6.67848634
  H     16.82289212      4.88293707    -11.84804746
  H     15.68673383      6.47337801     -8.91606155
  O     16.43030772      9.36592819     -9.75659655
  H     17.02234476      3.59997580    -11.01048292
  H     15.40382871      6.51477699    -11.14292972
  O     19.62304288     11.08632142     -9.13043712
  H     21.39873013      9.12820435    -12.73777263
  H     15.64939723      6.85837297    -12.64252279
  O     16.01997005      8.29519994    -13.79004985
  H     20.02327556      8.92331140    -13.40188102
  H     19.78636388     10.90207599    -12.35862869
  O     21.31324688      5.59598744    -11.83352060
  H     20.23592344      6.11530380     -8.27349133
  H     19.50334572     12.41953732    -12.31336216
  O     13.82145072      4.08758001    -11.01027419
  H     20.84125253      7.51892980     -8.18271915
  H     17.18714052      6.10396616     -7.47175702
  O     15.07722704      7.02234225     -9.42706964
  H     21.76237877      8.58736231    -10.24870227
  H     17.76143201      5.36405760     -8.68422201
  O     15.57741385      6.13057890    -12.01523919
  H     20.24506149      8.55172700     -9.97446961
  H     12.90063503      5.14289409     -9.86624800
  O     19.23426414     11.58470407    -11.93777500
  H     18.67292311      7.91801917    -11.64571661
  H     11.66795419      5.82664743     -9.24542310
  O     16.97240531      5.42394728     -8.13054889
  H     17.91979655      8.46886136    -10.38539880
  H     17.50221864     10.87572902    -12.23605320
  O     12.62100679      5.82536276     -9.23343510
  H     18.88747973      7.28632548     -6.87529901
  H     16.45686589     10.15068062    -11.36937431
  O     16.65581974     10.41586959    -12.27974235
  H     17.84220108      8.41994314     -6.86402626
  H     16.27937997      3.90321142     -8.85152097
  O     16.04589184      3.14930169     -9.41804722
  H     16.74544098      9.71437881     -8.91340140
  H     16.06086523      2.37615773     -8.85882013
          69
 Energy    -248.66214599074891     
  O      2.53475386     -0.41441507      6.12873300
  H      2.16378671      0.43292280      5.85355755
  H      6.06370071      1.32780224      2.85633690
  O     -0.87454903      1.56162647      7.15717461
  H      3.14583372     -0.70728029      5.43663621
  H      2.24815165      1.20055598      0.92890445
  O     -0.23511784     -5.06042737      4.39865495
  H     -0.88659607      0.70584260      7.61870504
  H      1.60682989      2.42601491      0.23503810
  O     -3.01561258     -2.67367124      7.46979617
  H     -1.08711205      2.22092189      7.81383327
  H     -0.15758564      0.05415544      2.79528861
  O      4.18978408     -1.39447137      4.13882737
  H     -0.35238102     -4.87840282      5.34054322
  H      0.33438779      1.40786806      2.23064878
  O      3.90005523     -3.84249735      5.57108235
  H     -0.94398005     -4.59354935      3.94223401
  H      3.18989149     -1.00024573      1.14408351
  O      2.95475328     -2.55633771      7.83990388
  H     -3.93955721     -2.81226083      7.65956016
  H      4.14281660      0.17788137      1.44013742
  O     -1.03534790     -0.83100661      8.49398186
  H     -2.96599851     -2.22769785      6.60649887
  H     -1.73079427      1.27141462      4.02550821
  O      0.74223590     -2.96845812      9.24109413
  H      4.67751106     -0.65344777      3.75963844
  H     -1.94481950      1.42429660      5.54898658
  O     -0.57198669     -4.06909815      7.02852877
  H      3.64910918     -1.76586869      3.42736386
  H      2.66317112      2.54661771      2.61016725
  O      2.61295020     -2.52772267      2.11946834
  H      4.19317777     -3.03680910      5.12512863
  H      2.58153421      2.46991638      4.14672845
  O      5.22406125      0.87712538      2.87165344
  H      3.36709244     -4.31232044      4.92018309
  H      1.05101230     -1.39254973      5.76240128
  O      1.66097812      1.96542714      1.06796600
  H      3.30605699     -3.14521786      7.15716789
  H      0.16884072     -2.66348992      5.98419962
  O     -0.20372994      1.01107839      2.92726630
  H      2.87980551     -1.69242483      7.41273831
  H      2.54058022     -5.90141104      3.17588925
  O      3.41349053     -0.10126980      0.87203649
  H     -0.35801121     -1.44465744      8.80317247
  H      1.40949574     -5.03806384      3.77351920
  O     -2.39706376      1.20707763      4.72365603
  H     -1.78830544     -1.38702699      8.26305459
  H     -2.60890609     -0.54015396      4.92308965
  O      3.19626800      2.59985629      3.41344370
  H      1.59524347     -2.83212339      8.78657393
  H     -1.48922501     -1.54543621      5.27760524
  O      0.27823098     -1.87386191      5.44176393
  H      0.94572814     -3.26107326     10.12466042
  H     -2.44866468     -2.72067813      3.78977870
  O      2.32225717     -5.01040235      3.43835501
  H     -1.46704497     -3.74780410      7.19758163
  H     -3.06301449     -3.57904901      2.65933398
  O     -2.44038990     -1.47664367      5.09916446
  H     -0.06587328     -3.85378034      7.82367087
  H      0.69544672      1.52217677      4.43968679
  O     -2.24668870     -3.39074988      3.11527954
  H      2.61318577     -3.43382894      2.45351349
  H      0.52337818      1.82949962      5.94656328
  O      1.16966458      1.82148265      5.22952294
  H      1.69950434     -2.22050135      2.21636027
  H      0.23773270     -1.84287149      3.67992751
  O      0.04152299     -1.76428033      2.73102686
  H      4.55378185      1.53609793      3.12780592
  H     -0.72644457     -2.32594121      2.58163948
          69
 Energy    -248.66208709216301     
  O      7.05014819    -11.42657357      4.66510628
  H      6.31486013    -10.82834250      4.84545496
  H      5.34242214     -8.14078596      3.67773251
  O      8.12364879    -10.33795972      2.39888693
  H      6.67877489    -12.24463271      4.30072926
  H      2.41614376    -10.48602838     -0.23093556
  O      9.35395993    -11.94620514      0.61854510
  H      8.23689754     -9.38107441      2.45063741
  H      2.15099736    -11.89350174      0.34259317
  O      8.28296585    -10.48854103     -1.51294579
  H      7.82459842    -10.66149296      3.26001847
  H      7.91713751     -8.78291607     -0.74511592
  O      5.66031125    -10.93467148      1.23686503
  H     10.05444993    -12.40796850      1.09527956
  H      6.70211813     -8.01691002     -0.17680231
  O      9.35622764    -15.62658922      2.28690263
  H      8.97186865    -11.32696130      1.26292416
  H      2.76153740    -10.72440838      2.15771585
  O      3.45360821     -9.42790299     -1.51837471
  H      8.69225379    -11.04332740     -0.83052185
  H      4.27224250    -10.88499028      2.33971881
  O      5.56180381    -11.22805467     -2.29827559
  H      8.84938702    -10.55126878     -2.28009049
  H      8.76452973    -12.31796045      4.86645406
  O      8.30729924     -7.56518775      2.29404753
  H      5.63371094    -11.72126173      0.67937898
  H      9.11463624    -13.81257707      4.90449157
  O      8.22226741    -15.50515585      4.75301466
  H      6.55190697    -10.80462676      1.58207435
  H      6.66250753    -13.87298865      2.64062524
  O      5.32793027    -13.18894769     -0.43471328
  H     10.05763419    -14.96383314      2.29143196
  H      6.79422782    -14.48611611      4.05230010
  O      5.51617212     -7.47251740      3.00513870
  H      8.65699941    -15.24739837      1.73494049
  H      3.40237386    -12.67247199      3.08429459
  O      1.99135350    -10.95391344      0.49707332
  H      2.99129706     -8.79483411     -2.06249133
  H      4.44198804    -13.80309598      3.21066378
  O      7.66061922     -7.96726681     -0.29913505
  H      3.93048118     -8.91798586     -0.84056065
  H     10.49720589    -13.07845585      3.29654191
  O      3.44368364    -10.80233137      2.83877083
  H      6.41456178    -10.85377257     -2.04763469
  H     11.92496493    -13.20688559      2.71987628
  O      9.49331142    -12.93797842      4.74640866
  H      4.88297207    -10.56870060     -2.10661251
  H      8.11014905    -13.31669236      0.81042869
  O      6.27986947    -13.85826617      3.53001097
  H      8.14726904     -7.62554470      1.33390014
  H      6.71783047    -13.87513435      0.40830302
  O      3.52750935    -13.62246386      2.95803010
  H      8.97553876     -6.89810996      2.42344483
  H      2.11261849    -14.47363065      0.22076654
  O     11.00254809    -13.26981748      2.48595323
  H      8.26668917    -16.31917732      5.24644149
  H      2.96686658    -13.79208494      1.31759221
  O      7.46891523    -14.01259083      1.00325336
  H      8.64439719    -15.67207054      3.89063578
  H      4.32107826     -9.40670311      5.60815726
  O      2.71188307    -13.74899138      0.37771943
  H      5.35829861    -12.60448244     -1.20710123
  H      4.24244276    -10.02749215      4.19444349
  O      4.84969475     -9.63697933      4.84765249
  H      4.40842981    -13.42511468     -0.26242442
  H      5.20872134     -9.30993188      0.66313066
  O      4.98773404     -8.38775835      0.45668959
  H      6.47533826     -7.42920605      2.90522115
  H      5.00781263     -7.92593136      1.30606475
          69
 Energy    -248.66203972947568     
  O     -1.04097833      0.44523110      0.79404645
  H     -1.85756195      0.95513504      0.86550677
  H     -3.01731386     -1.62481952      2.79119106
  O     -1.75324198      4.98988877     -1.35633097
  H     -1.28405897     -0.48468057      0.88326752
  H     -4.01304390      5.00239565      3.90616260
  O     -2.22691766      4.22117916      1.27401119
  H     -1.91085820      5.66116593     -2.01414374
  H     -3.05031211      4.36536886      2.87821508
  O      1.66373358     -1.24501757     -0.52744779
  H     -1.95910945      4.13193266     -1.77155435
  H     -0.71917740      0.23373913      5.16610129
  O     -1.01298893     -0.87210032     -2.97558534
  H     -1.32554950      4.00845922      1.55879761
  H     -0.03632563      1.08825562      4.07249782
  O     -4.05911624     -0.62803197     -0.26735833
  H     -2.15242766      4.61070320      0.39393036
  H     -3.48425400      1.56758567      2.09534438
  O     -2.09397496      2.50850675     -2.33856688
  H      1.41533498     -0.40826611     -0.93669668
  H     -3.14411190      2.61894589      1.01774135
  O      0.31984163      1.15450039     -1.46986946
  H      0.97412948     -1.87688592     -0.76411858
  H     -2.35680549      1.34862902      4.19102989
  O     -0.59374427     -2.90391547     -1.26265962
  H     -0.46989744     -0.14374358     -2.64898607
  H     -3.47376850      2.39415003      3.98844154
  O     -1.93295652     -2.17105995      1.08064471
  H     -1.91546541     -0.53351790     -3.03660994
  H     -1.59123353      4.19045419      4.57486245
  O     -1.08413389     -1.60651442      5.37745534
  H     -3.99501422      0.20562705      0.22185547
  H     -0.61755533      3.05919488      4.94811890
  O     -3.22054965     -1.38286947      3.69969105
  H     -3.47764156     -1.25039316      0.18082745
  H      0.06683714      4.29498169     -0.95628250
  O     -3.39346944      4.28747020      3.78440314
  H     -1.26088472      2.06997601     -2.12955276
  H      0.81072865      3.82786608      0.30237745
  O     -0.65938582      1.12944523      4.81273974
  H     -2.72108863      1.80375778     -2.53628861
  H      0.90403617     -2.15481485      2.70912909
  O     -3.46781936      1.71710961      1.13850012
  H     -0.17763193      0.87221892     -0.68463026
  H     -0.18459427     -2.24759951      3.81000072
  O     -3.26599475      1.45846741      3.87404309
  H      0.65953168      2.03943125     -1.26969329
  H      1.61417120      0.32809478      2.47815564
  O     -0.65709719      3.99580019      4.71266015
  H     -0.78464979     -2.23246134     -1.94253496
  H      0.24494999      0.80578586      1.93986791
  O      0.79920046      3.74275645     -0.66003224
  H     -0.47856226     -3.73440044     -1.71707603
  H      0.71578148      2.80927435      2.25414221
  O      0.03616732     -2.52318164      2.91237109
  H     -1.27041760     -2.37425074      1.76349342
  H      0.13897785      3.98752710      3.05414227
  O      0.95828583      1.02909799      2.55877071
  H     -1.57462642     -2.52698321      0.25553421
  H     -4.41497258      0.02346221     -3.35057578
  O      0.37751442      3.71036517      2.15762952
  H     -1.89997798     -1.59518638      4.84450463
  H     -3.83620379     -0.14852476     -1.92595952
  O     -3.63742939      0.17830091     -2.82120441
  H     -1.27238092     -2.12105256      6.15789608
  H      3.38112279     -1.54084866      2.12959476
  O      2.46752575     -1.27823905      2.05928753
  H     -3.42464815     -0.43796677      3.70775122
  H      2.24417181     -1.28408535      1.11079813
          69
 Energy    -248.66178689753571     
  O     11.57827891      7.32139428    -15.44472177
  H     11.65210941      6.59520201    -16.05808481
  H     16.32586853      8.62962975    -11.27319724
  O     11.05987328     11.53600974     -9.98796979
  H     11.63214255      8.13938424    -15.97073276
  H     14.22488507      8.72974439    -10.31134569
  O     12.84757047      8.00494306    -13.02765374
  H     11.35901695     12.22821528    -10.60410967
  H     14.05746659      7.86037802    -11.56835928
  O     15.92717076     15.51969833    -11.40206112
  H     10.37348382     11.92529865     -9.45247320
  H     14.43939006     15.26742670    -12.42923959
  O     11.54029045      9.68395116    -16.80239564
  H     12.47362546      7.62692169    -13.83338962
  H     14.09299532     14.64605276    -13.79978250
  O     10.87517825      9.81275850    -12.25752778
  H     12.17264553      8.60016352    -12.66816519
  H     13.95974092     10.81403822    -10.34514319
  O     15.78730273     10.27446964     -7.86494728
  H     16.26174152     16.01817081    -10.66109876
  H     12.70082203     10.67673470     -9.48150596
  O     14.32102219     11.70699660    -11.84006548
  H     16.30752855     14.63073495    -11.32047106
  H     17.26807517      9.41828918    -13.20171532
  O     17.01323774     12.52004768    -14.13617338
  H     12.16085253     10.39295938    -16.58919620
  H     17.82969630      9.08165953    -14.60620755
  O     11.93216889     13.23113600    -11.95759780
  H     10.66096625     10.04311169    -16.63121224
  H     11.68579027     11.88585080    -14.69759940
  O     13.17362069     11.71184455    -15.68812071
  H     10.92130943     10.51147863    -12.92698450
  H     10.15803588     11.61397438    -14.69894336
  O     17.16229186      9.03158178    -11.55182991
  H     10.85756059     10.25844645    -11.40401211
  H     15.88429928     12.48433008    -11.49905525
  O     14.66285897      8.05247967    -10.84119107
  H     15.68953534      9.48518630     -7.33687204
  H     17.20960163     12.29899636    -10.71785527
  O     13.70109122     14.98056397    -12.98510479
  H     14.97123528     10.34437462     -8.38641072
  H     14.00096640      9.22561328    -13.70293928
  O     13.61281908     10.37645875     -9.55142771
  H     14.39403076     11.13385413    -12.61442012
  H     15.40952653      9.78157471    -14.13739093
  O     17.22798726      9.65981047    -14.14652628
  H     13.55196369     12.27818644    -11.95668967
  H      8.98156768      9.81803373    -15.21906039
  O     10.89338305     11.89147811    -14.14012529
  H     17.16860707     11.57236072    -14.22191208
  H      8.12924957     10.72681512    -16.13916233
  O     16.75919634     12.87533169    -11.34503013
  H     17.06805665     12.71031990    -13.19046686
  H     17.13062610     10.76089442     -8.89417313
  O     14.47486426      9.99995725    -14.03360125
  H     12.48028804     13.97214719    -12.26178964
  H     18.65242880     10.97523350     -9.06203351
  O      9.00671450     10.60954100    -15.78641892
  H     11.46751034     12.88440365    -12.73213817
  H     15.70905261     13.37929976    -14.92065173
  O     17.82537440     10.98380689     -9.53718475
  H     13.65729667     11.06392281    -15.15083800
  H     15.33772305     14.47632016    -15.94205364
  O     14.96074134     13.85144643    -15.32758992
  H     13.71844539     12.50759772    -15.69498370
  H      9.68184171      8.81515872    -13.35642452
  O      9.27409673      8.44883722    -14.15261205
  H     17.42675336      9.64530400    -10.85920717
  H      9.96015272      7.91307515    -14.57069371
          69
 Energy    -248.66161548669669     
  O     11.60678763      7.11892903    -15.30849264
  H     12.37332013      7.19607068    -15.89521043
  H     19.15783609      8.64140086    -14.97231851
  O     17.24767657      6.93979123    -13.27993029
  H     11.43469120      8.00647993    -14.97502960
  H     13.78813144     10.74749215    -16.28410011
  O     15.92186505     10.88282378    -13.95059619
  H     16.76369665      6.32158680    -12.71725440
  H     14.24605838     11.21872903    -14.88673284
  O     16.00366116      5.44207432    -16.82017385
  H     17.43233582      7.74188529    -12.77154068
  H     14.64813432      7.95233727    -15.08173338
  O     13.44041358      6.47763786     -8.92402289
  H     16.62895254     11.15006141    -14.55213914
  H     15.74493385      7.71282663    -13.99343690
  O     15.62900028      5.25452791    -11.83128463
  H     15.65684383      9.97867282    -14.18436147
  H     11.43938130      4.19398722    -14.18577846
  O     13.07951777      8.71433506    -12.35338377
  H     16.13475549      4.70083880    -17.40586152
  H     11.87059194      5.65791019    -14.44673974
  O     17.06213527      9.55502829    -17.23481143
  H     15.65469446      5.07861644    -15.98542111
  H     17.06791603      9.58831459     -8.80582271
  O     16.28481193      6.24245807     -9.34945451
  H     12.82073809      6.05590434     -8.33446977
  H     15.83338475      9.19121214     -9.65083342
  O     18.16984715     11.53844182    -15.58612011
  H     13.17697741      6.23353768     -9.82759315
  H     13.95383064      4.58484141    -14.38804081
  O     18.00570188      7.25765141    -15.87521001
  H     15.99162189      5.45480909    -10.95567148
  H     15.28913413      4.61441171    -13.62352126
  O     19.43078590      9.42319919    -14.47783433
  H     14.70291589      5.52699210    -11.79021783
  H     17.05840021     10.04429536    -12.63170725
  O     13.46687525     11.09166862    -15.44163410
  H     13.80349738      8.57175118    -12.98222972
  H     17.44882197      9.39381466    -11.26993720
  O     15.00836844      8.28071413    -14.25015620
  H     12.37473697      9.13327332    -12.86009423
  H     13.79887552      8.31492912     -9.35962717
  O     12.10281695      4.84225023    -13.96586603
  H     17.47817242     10.30698166    -16.79548905
  H     13.73039330      9.12984335    -10.66600865
  O     16.80159973      9.10381573     -9.58322492
  H     17.39553740      8.76395692    -16.79201535
  H     15.44147971      9.79363535    -17.66820374
  O     14.90998158      4.53163279    -14.50665690
  H     15.36844789      6.28671042     -9.04714467
  H     14.40406138     10.24125466    -18.72969945
  O     17.69087024      9.45263005    -12.20330188
  H     16.58561402      7.15717108     -9.40231876
  H     12.91158531      6.99712608    -11.85913112
  O     14.10632280      9.12991691     -9.77519887
  H     18.70212789     12.32588713    -15.65339730
  H     12.54945749      5.56258047    -12.32782285
  O     14.48713536      9.88970569    -17.84766815
  H     18.73353892     10.84702964    -15.19324858
  H     10.61007853     10.37910770    -14.29015907
  O     12.92048452      6.06525266    -11.59262254
  H     17.82784558      7.08115470    -14.93782052
  H     12.09225524     10.29270084    -14.71978128
  O     11.36775142      9.80055608    -14.29329976
  H     17.46466397      6.61064533    -16.34317114
  H     14.13219807      8.20243830    -17.22529846
  O     13.97689581      7.39667942    -16.71487036
  H     18.99747324      9.37382205    -13.61476381
  H     14.67052810      6.75736902    -16.91956704
          69
 Energy    -248.66125185933464     
  O     17.81894465      8.30656883    -12.48116770
  H     17.12044561      8.98191823    -12.49648274
  H     17.09816011      8.47909476     -6.06815012
  O     12.21515699     11.46232513    -11.28949281
  H     18.37048471      8.52596350    -11.71953318
  H     14.19895069      9.30479068    -10.09221293
  O     18.60909573      8.70585021    -15.05675559
  H     11.51820070     12.07274132    -11.06550816
  H     13.63949518     10.74135947    -10.32593000
  O     12.21650582      8.80214212    -12.37131741
  H     12.62487874     11.79003726    -12.11002612
  H     18.98649301      7.78285395     -9.13920634
  O     15.98068592      6.31516346    -11.98182069
  H     18.98220502      7.92486588    -15.45725978
  H     18.25203866      6.42250339     -8.97530307
  O     19.06381398      9.29195231    -10.23445065
  H     18.36152215      8.46543956    -14.14759169
  H     16.70151763     12.92534547    -12.14817136
  O     20.26493866     11.47922706    -11.50921992
  H     12.04017663      9.67385648    -11.99531453
  H     16.68546867     12.94763537    -13.71816097
  O     16.92315219     10.55832327     -8.93117512
  H     12.73741215      8.96536458    -13.16540182
  H     16.98482519      4.22792735     -9.31341872
  O     16.47268914     10.37049720    -15.95395847
  H     16.31127696      5.77813496    -11.25095951
  H     16.26071081      5.57366131     -9.06743704
  O     14.56304959      6.67025527    -14.36480476
  H     16.67246242      6.96553249    -12.17314468
  H     16.05260360     11.07016463    -12.60845158
  O     14.21325555      9.40611084    -14.45206311
  H     19.60611476      9.99197219    -10.61919538
  H     15.35612554     10.15676685    -11.56602594
  O     16.90139711      8.49936329     -7.00114011
  H     18.30738461      9.73174957     -9.81770907
  H     19.41328994     10.35106398    -14.49458460
  O     14.41128397     10.24764861    -10.02159260
  H     21.11743120     11.90129467    -11.44369862
  H     19.03139103     11.84016353    -14.54111965
  O     18.71110643      7.11900840     -8.49170555
  H     20.07175970     11.38262714    -12.45877314
  H     17.13844941     11.94294683    -15.62671810
  O     16.13646513     12.83792733    -12.93170654
  H     16.01692763     10.52520046     -9.27084335
  H     17.58724942     13.35475999    -16.07966912
  O     16.92861407      5.12878199     -9.62140853
  H     16.92904148      9.97901932     -8.15876643
  H     13.20996676      7.88156405    -11.17123868
  O     15.85945288     10.14863136    -12.38966356
  H     15.64527444     10.02586714    -15.60011908
  H     14.58621981      7.16512016    -11.06980556
  O     19.63923814     11.21420782    -14.12857437
  H     17.15512572      9.72257977    -15.73510318
  H     17.46634013     12.08027369    -10.01174232
  O     17.58312485     12.75998421    -15.33468056
  H     15.04726611      6.43820737    -13.55770445
  H     18.64214253     12.35352993    -10.96425935
  O     13.89414426      7.59319731    -10.54901415
  H     13.94998035      5.95410578    -14.51660521
  H     13.61975679     11.34750694    -14.10970374
  O     17.75915767     12.66030588    -10.72517113
  H     14.30366530      8.44682383    -14.55673748
  H     14.35759555     12.50356400    -13.39067579
  O     13.47997054     12.14754149    -13.59202407
  H     14.78133101      9.64939483    -13.70262325
  H     14.54640324      6.96090049     -8.90542661
  O     15.11555111      6.57824777     -8.22386654
  H     17.59630990      7.98137132     -7.44648434
  H     15.55558062      7.30892799     -7.77361012
          69
 Energy    -248.66114323659502     
  O     11.12750613     11.66033189     -9.91073357
  H     11.28305336     11.87937863    -10.84642018
  H     15.87784094     12.49930628    -14.33706964
  O     14.32691872      9.86976483    -15.34790582
  H     10.30415602     12.07411722     -9.66415183
  H     16.32459674      9.09795392     -9.27975578
  O     11.12059450      8.84794376    -10.74142761
  H     15.01832977     10.11212154    -14.71660382
  H     16.21602935      8.49736910    -10.69493550
  O     13.65713422      7.34052425    -14.13841683
  H     14.39924995     10.50266440    -16.07252325
  H     14.45339760      8.91282571    -11.70490538
  O     13.78182565     11.59029114     -8.99501461
  H     11.04694947      9.74155815    -10.39621082
  H     14.47953240      7.61710227    -12.54427692
  O     14.54142074     12.14738522    -17.04609010
  H     11.79621795      8.40576265    -10.20473917
  H     15.22390608     15.42689800    -12.33349979
  O     10.96621913      7.98859257    -13.30320166
  H     13.90291210      8.08395134    -14.70269991
  H     13.76525226     14.99651286    -12.56428419
  O     13.23187511      7.69860348     -9.38964407
  H     12.73175130      7.47778896    -13.89867654
  H     17.71748349     10.12946837    -10.99892789
  O     14.11339953     10.73810489    -11.65894257
  H     14.17093434     12.46187413     -9.15254938
  H     19.09109226     10.47596181    -11.61625175
  O     17.40421741     13.46184882    -11.11294234
  H     12.83537156     11.64300960     -9.18579677
  H     12.51041990     13.76017452    -14.75489525
  O     11.80928048     12.06626413    -12.51260836
  H     14.99471671     12.64228941    -16.34284126
  H     13.95971453     13.79400465    -14.23922117
  O     15.66946403     13.31850186    -14.81233759
  H     14.99405123     12.35034421    -17.86094220
  H     14.69211351     14.47019057    -10.39126502
  O     16.80981852      8.98370752    -10.10454921
  H     11.01439093      8.28144248    -12.37531982
  H     15.15286992     14.69894193     -8.93580709
  O     14.76644582      7.99687660    -11.70360829
  H     10.26116772      7.34844152    -13.35040886
  H     15.41338719     10.93239623    -12.80769778
  O     14.37789397     15.30585471    -11.88460101
  H     13.77072690      7.60346344    -10.18850647
  H     16.94014812     10.83715230    -12.98240245
  O     18.18600995     10.77093075    -11.56385299
  H     13.79264367      8.16641773     -8.76221641
  H     12.68003051     12.56466616    -16.61081751
  O     13.05374662     14.03357481    -14.00117268
  H     14.13323872     10.95384956    -10.71954337
  H     11.58995751     11.92226703    -15.73808841
  O     14.99221946     14.01635783     -9.58356192
  H     13.30729917     11.13531557    -12.01051945
  H     15.11673812      9.48683391     -6.95030606
  O     16.12031290     10.96326821    -13.47207914
  H     17.67202702     12.53854879    -11.19986971
  H     14.58334466     10.21581576     -8.20503434
  O     11.86096385     12.75882387    -16.13847021
  H     16.65028382     13.48823026    -10.51349106
  H     17.64451317     15.82522567    -13.20875054
  O     15.03706977      9.41289416     -7.89792709
  H     11.61650225     11.44338315    -13.22817448
  H     17.19381590     14.55974797    -12.43626944
  O     16.95149013     15.17318670    -13.15453281
  H     12.21837889     12.83841902    -12.92556212
  H     11.29138166      9.51426780    -14.26338612
  O     11.64362534     10.33346454    -14.63505132
  H     16.16791517     14.02230189    -14.37991379
  H     12.56788431     10.15769529    -14.86278158
          69
 Energy    -248.66111287939401     
  O     16.69618420     10.07569391    -14.59183995
  H     17.05514490     10.96788377    -14.53539423
  H     11.76202144     10.11177352     -9.20548987
  O     15.26363745      6.77940642     -8.96828266
  H     16.32121479      9.86657444    -13.72083619
  H     20.09690237      3.78148221    -12.68485065
  O     12.77695103      6.89590646    -10.36750530
  H     15.63231569      6.10972381     -8.39834477
  H     18.91033294      4.50383376    -13.34875123
  O     15.33383907      7.84814544    -15.56839880
  H     15.73819100      6.72057828     -9.81603099
  H     17.36937150      6.85977779    -11.60120094
  O     18.87141815      8.36691763    -14.58405718
  H     12.49431713      7.79817146    -10.17465743
  H     16.03172976      6.28873305    -12.17192489
  O     19.97288536     10.63370875    -13.23725410
  H     13.56459756      6.75318702     -9.82930492
  H     16.61313821     12.25849940    -11.18561592
  O     19.08508733      7.19266267    -12.08202179
  H     15.76371996      8.68244778    -15.33446344
  H     16.97217047     12.81742648    -12.57916676
  O     12.56665107      5.78593458    -12.83051200
  H     14.39590012      7.95571193    -15.34622261
  H     17.67509689      6.63204190    -17.47332740
  O     13.74092440     12.65205746    -12.70415877
  H     18.67025608      7.73807176    -15.28545788
  H     16.77343726      7.04046944    -16.28868793
  O     12.82931975      8.10764665    -14.51542165
  H     18.13108017      8.99318650    -14.57923720
  H     14.70245682      9.47113938    -12.27056523
  O     13.00571390     10.03596928    -12.48124471
  H     19.90931559     10.34180817    -12.31979354
  H     15.79809366      8.39064474    -11.93335645
  O     12.36354497      9.64447233     -9.77840424
  H     19.83139979      9.84509574    -13.77636589
  H     18.52438729     13.13195546    -14.58330034
  O     19.58790300      4.58628215    -12.65509633
  H     19.37276954      6.27387702    -12.18938676
  H     18.83848060     11.87643649    -13.73682613
  O     16.42940439      6.73891275    -11.41349342
  H     19.01819410      7.57309781    -12.97008947
  H     16.51858459     10.21465995    -10.95697984
  O     16.33545594     12.89323383    -11.85816019
  H     12.61495207      6.17764713    -11.94030405
  H     17.90281948     10.31513352    -10.27613112
  O     17.63972129      6.66415259    -16.52053235
  H     11.85096710      5.15630053    -12.81472257
  H     14.30772862      5.63155199    -13.41298372
  O     15.65266639      9.30328109    -12.20872953
  H     14.65045547     12.77332701    -12.38380611
  H     15.27418351      6.46653780    -14.29608836
  O     18.12008233     12.45681635    -14.04485884
  H     13.42844135     13.52027589    -12.94297432
  H     19.43310780      8.60769770    -11.07049706
  O     17.00319900     10.65892374    -10.24204863
  H     12.80342355      8.83797631    -13.88133849
  H     20.28259652      9.34411433    -10.00979775
  O     15.23393791      5.73232241    -13.66780189
  H     12.60434248      7.31928700    -14.00807970
  H     15.62040307     10.04517491     -9.10604814
  O     19.57615660      9.46766524    -10.63940967
  H     13.20055580     10.97692392    -12.61599980
  H     15.07123327      8.65956939     -8.69128564
  O     14.85678088      9.60063201     -8.71647252
  H     12.67320489      9.93940694    -11.58042729
  H     16.75731032      4.77699051    -14.21684755
  O     17.63293067      4.56741382    -14.56784345
  H     13.24686740      9.71016431     -9.37194130
  H     17.74682103      5.16392458    -15.31703241
          69
 Energy    -248.66111198407094     
  O     11.81446810     10.02392016    -10.80657227
  H     12.14080511     10.58904444    -11.51692290
  H     14.01989713      5.38681449    -17.84419496
  O     13.67402763      7.13406618    -14.79254946
  H     11.33713404      9.30378964    -11.23840581
  H     16.23586167      6.22428810    -16.74775377
  O     17.78445424     11.23630260    -11.32531262
  H     14.43058907      7.70896124    -14.59665845
  H     17.24150357      6.40246616    -15.58502727
  O     17.29773975      8.95725279    -17.79987589
  H     13.86692233      6.66333132    -15.61124813
  H     14.77672941     13.11865377    -15.64869904
  O     11.76714515      9.08011021    -14.48266153
  H     17.75044409     12.03171132    -10.80050378
  H     15.40964049     11.72289021    -15.44631999
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  H     16.37917667      7.89200113    -13.81338265
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  H     17.95138799      8.90531774    -18.49192947
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  H     12.41654903      8.39355115    -14.70228628
  H     11.65966845      7.12982776    -12.09898719
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  H     10.12823103      7.09571072    -11.91929459
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  H     18.28472330     10.49484233    -14.43387563
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  H     18.60057092     10.73648576    -12.94126962
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  H     18.91705793      8.24424599    -11.20946020
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  H     13.93687356      9.15406659    -17.77902065
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  O     17.35552557      6.39233311    -13.70829999
  H     16.08410701      5.74269859    -10.90209710
  H     13.47166867     11.02925140    -16.35580023
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  H     13.75407570      7.69377692    -10.85414302
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  H     17.00462282     10.14810225    -16.43498976
  H     13.19591678      8.98186764    -10.20596051
  O     13.95333099      8.37852343    -10.20111444
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  H     13.57390761     11.65950997    -13.85630844
  O     13.12607166     11.15036510    -13.16904437
  H     14.37304292      6.88547405    -17.66109592
  H     12.65073230     10.44334900    -13.62919301
          69
 Energy    -248.66106420171198     
  O     18.12666988      5.77157684     -9.44006829
  H     17.36753168      5.19315017     -9.60395690
  H     11.95078771      4.90886624    -13.14957394
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  H     13.79591451      9.99313727    -10.42208696
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  H     16.46041124      9.90451019    -10.50121436
  H     14.69335165      8.11691041    -15.10991666
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  H     15.24246521     10.97750890    -12.02297919
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  H     12.35745796      4.33852636     -9.32212417
  O     13.17432261      9.30311160    -10.16311507
  H     16.78722497      8.01089952     -7.04752022
  H     12.82912211      4.85569737    -10.69682444
  O     14.12143334      7.28747151     -8.52681114
  H     15.77500355      7.58698910     -8.13680915
  H     18.05395354      5.64383298    -13.08545484
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  H     12.66844778      7.63255773    -15.86557392
  H     16.67073039      6.26691598    -12.86931244
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  H     14.85341547      4.57554931     -9.88658851
  O     13.01958439      4.88065859     -9.74423003
  H     13.65732766      5.81427310    -16.50646154
  H     15.83163288      3.75523446    -10.76191370
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  H     15.41163768      2.87949216    -12.75378692
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  H     13.45898137      4.60033992    -12.95311117
  H     15.78033114      4.61670212    -13.76805220
          69
 Energy    -248.66094466015807     
  O     -2.93501110     -0.27358637      2.42919769
  H     -3.47020076      0.53344753      2.41905739
  H      3.58821230     -0.63903433      1.72709209
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  H     -2.77132934     -0.48633617      1.50054805
  H     -0.40214911     -2.41254463      1.30642560
  O      1.82016439      0.14867351      4.56595809
  H     -0.87342709      3.53278004      1.39195851
  H     -1.34263249     -3.14111508      2.29025253
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  H      0.03182953      0.18015616      2.42697787
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  H     -1.34790442      0.54384880      2.98367156
  O     -4.68605202      1.18941657     -0.79859168
  H      1.00917256      0.52779856      4.20033363
  H     -1.49717268     -3.14927283     -0.31999581
  O     -4.24508027      2.08080456      1.90444948
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  H     -0.70895567     -3.00465134     -1.62600068
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  H     -2.55768544     -2.69745519      4.57658081
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  H     -2.36707893     -1.64762882      3.46227055
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  H      3.10248467     -1.27652884     -0.63724116
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  H     -2.60589911      3.96369937      0.18876098
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  H      1.50781186     -1.05853151      1.06966576
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  H      0.37420836     -0.31849516      0.29994383
  H      2.49616143      1.76588618     -2.71137258
  O      2.11183470      1.42761612     -1.90761686
  H      3.28623032     -2.17326497      1.75489471
  H      2.38715573      0.49501206     -1.83074764
          69
 Energy    -248.66090774016820     
  O     -2.36262060      0.60396291      3.23282918
  H     -1.64458548      1.19044765      2.96085476
  H     -1.75164854     -4.49267249     -0.83976142
  O     -2.80246409     -2.17795829      7.34918154
  H     -2.62705363      0.13012044      2.43470077
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  O      1.81238447      0.36843722      3.37116759
  H     -2.97201234     -1.80062243      8.20781215
  H      4.10030446     -2.27917602      2.77423970
  O      1.77996518     -3.98592933      4.59461840
  H     -3.12124303     -1.53468538      6.69006730
  H      0.16648470     -2.55158248      1.63300041
  O     -4.09126575     -4.26378486      5.84796798
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  H     -0.45621882     -1.92183223      2.91487784
  O     -0.63472806     -3.21768801      5.94069810
  H      1.11301913     -0.05372574      3.89482291
  H     -2.36274811     -4.89950516      1.17491287
  O      0.70225202     -6.22378299      3.52005846
  H      1.10963026     -3.59168329      5.16615235
  H     -1.83910151     -3.74560062      2.06447769
  O     -5.62555796     -2.51140499      4.43584618
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  H      1.48930468     -3.79861837      0.64017651
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  H     -3.37315858     -4.77008051      5.44811762
  H      1.48599481     -2.39835503     -0.08998220
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  H     -5.05426620     -2.51431818      2.64926109
  O     -1.72786521     -2.79923344     -1.26069552
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  H      1.12779813     -1.05722970     -2.25717021
  O     -0.66314784     -2.39039587      2.09709806
  H      1.21178980     -6.98127394      3.79728190
  H     -0.51097055     -1.68245136      5.04091476
  O     -2.52805812     -4.42585044      1.99873692
  H     -6.54000646     -2.61541612      4.68624173
  H     -1.15070934     -0.47930321      4.24871292
  O      1.73491096     -2.86229352      0.71842320
  H     -5.12792505     -3.20740629      4.90057223
  H     -0.34710819      1.13845028      0.56476137
  O     -4.62519621     -2.57727524      1.78798294
  H      0.68522315      1.43932979      2.59714461
  H     -1.44740553      0.20045398      0.04037685
  O      0.74170752     -1.37065620     -1.44360933
  H      0.19654502      2.88418956      2.34316869
  H     -3.47429316     -1.44900614      1.10347329
  O     -0.32744796     -0.94060546      4.45003591
  H      0.71411899     -5.74534713      1.65883223
  H     -1.92080082     -1.44462417      1.24946925
  O     -0.60822417      0.61449716     -0.20201278
  H     -0.03386862     -5.52771640      0.31720669
  H     -4.46798893     -1.12442786      4.99722300
  O     -2.66842777     -0.97570928      0.84247009
  H     -2.22412262     -2.18961395     -0.70408537
  H     -3.41593159     -0.03400862      4.67982979
  O     -3.78234531     -0.56991028      5.39260942
  H     -0.88086109     -2.36896672     -1.43125171
  H     -2.18639143     -5.03905820      3.63374440
  O     -1.81419039     -5.31217463      4.48621654
  H     -2.15157251     -5.95042108     -1.17291224
  H     -1.00318636     -5.78284500      4.25947622
          69
 Energy    -248.66060899560563     
  O     12.40266831     11.69202972    -12.54395287
  H     12.06624534     11.30748342    -13.36262371
  H     15.48912254      5.31159517    -16.40601330
  O     13.59969340      7.23193960    -14.74501720
  H     13.34324216     11.47955765    -12.50736725
  H     17.94116190      4.61298316    -16.30632256
  O     17.59791807     10.57240249    -11.35971620
  H     13.86776100      6.53776252    -15.36484082
  H     17.44323723      6.07641130    -16.31566984
  O     17.41249132      7.61596317    -17.11436093
  H     13.44854208      8.03769075    -15.25487988
  H     16.23314209     10.77304748    -15.21925976
  O     13.42545714      9.58962405    -16.21767207
  H     17.74607437      9.88746322    -10.69503498
  H     15.23859215     11.10023982    -14.09548324
  O     15.61913682      7.24222644     -9.60214031
  H     18.30190210     10.45460254    -12.00807687
  H     15.09839304      7.85684404    -13.99062203
  O     12.84099850      6.69585468    -12.18989662
  H     17.62206286      8.35716178    -16.52924331
  H     15.61464451      8.97502394    -13.04100494
  O     15.03166042     10.57333898    -12.23178998
  H     16.56587059      7.82875156    -17.52456829
  H     11.57819567     10.93411090    -11.19483947
  O     14.75421367      8.04357027    -18.10017469
  H     14.10810152     10.17983534    -15.85958219
  H     10.70891020     10.91072423     -9.91219541
  O     15.06032479      5.06726637    -11.38923868
  H     12.58791256      9.85183556    -15.81560728
  H     18.87446142      7.59996648    -11.14718291
  O     17.68422985      9.56293671    -15.15828247
  H     14.90425860      7.85890638     -9.80928817
  H     18.60432636      6.69046963    -12.36636470
  O     14.58470321      5.54758747    -16.64654087
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  H     11.24972018      7.74905136    -12.45692845
  O     17.34376428      5.21508279    -15.86999388
  H     13.47911336      6.04131388    -11.88361587
  H     10.69481087      9.05008245    -11.84342024
  O     15.35228609     11.13521045    -15.05251613
  H     13.04531504      6.84907976    -13.12637853
  H     20.59139348      9.95318683    -13.17071630
  O     15.88452147      8.19691447    -13.54075518
  H     15.92522110     10.70472074    -11.87526547
  H     19.56906098      8.84649952    -12.81680379
  O     11.19453242     10.35276760    -10.51287557
  H     14.54183728     10.01565536    -11.60920794
  H     16.70247427      6.69689159    -13.19933595
  O     19.22637045      7.33408624    -12.00750021
  H     14.25613050      8.62675015    -17.50468278
  H     17.21101183      5.49194119    -14.02497493
  O     10.66426312      8.49561527    -12.63337673
  H     14.49806515      8.28221673    -18.98793975
  H     18.41287353      8.37087853     -8.74042035
  O     19.66261037      9.73993181    -13.19431178
  H     15.09022958      4.13626446    -11.18220515
  H     17.19075989      7.93803645     -9.58294529
  O     17.07834061      5.80395475    -13.12108537
  H     15.79083570      5.23878728    -12.00676853
  H     13.30446310      8.12389223    -11.17830923
  O     18.06929937      8.35570502     -9.62962937
  H     18.45374080      9.70902765    -14.59487206
  H     12.76766695      9.34517135    -10.38618771
  O     13.57216272      8.86277839    -10.61084429
  H     17.06774856      9.03170175    -14.63027012
  H     10.31719248     10.52418786    -15.01886350
  O     11.16005707     10.21112436    -14.69889908
  H     14.65387759      6.27502989    -17.27861714
  H     10.96584116      9.53965589    -14.02133609
          69
 Energy    -248.66056017340361     
  O     15.38293996     10.21127319    -14.16504333
  H     14.60293650      9.69454026    -14.34761386
  H     19.25991271     10.89161661     -7.59036493
  O     21.41611264      8.98901078    -14.69260439
  H     15.86218853      9.74986551    -13.45250753
  H     20.39595680     16.64258709    -11.89242190
  O     19.60213785     13.47913048    -10.03320880
  H     22.22772549      8.51712822    -14.86359233
  H     19.95422075     17.92294581    -12.64161497
  O     20.88507707      9.94558471    -10.16072081
  H     21.67027137      9.88108864    -14.39787048
  H     21.10907629     12.76128512    -10.85066023
  O     16.89045264     10.95899486    -10.21777555
  H     18.85351777     13.48004049    -10.64525196
  H     22.57319332     13.11783144    -11.18870423
  O     19.92057305     10.22034679    -16.84790097
  H     19.43163057     12.78736668     -9.38111195
  H     17.67366002      8.70363842    -12.25694332
  O     21.16707086     13.86143234    -15.18308823
  H     21.41437027     10.66405992    -10.52848381
  H     16.75401837      9.62511409    -11.42770206
  O     20.97363988     15.87560910    -10.44815150
  H     20.49043693      9.47678960    -10.90785924
  H     21.00303839     12.71481976    -18.51043482
  O     21.81353874     11.56118875    -13.82702257
  H     17.58656221     10.97010090     -9.54926382
  H     20.43911843     11.81536296    -17.39711786
  O     15.42822652     13.01762981    -13.56563927
  H     16.98243205     11.78644757    -10.70076551
  H     21.83351320     16.30647176    -13.45896175
  O     17.52713268     11.11291694    -15.70436282
  H     19.02874470     10.39560839    -16.51655844
  H     22.23155073     15.08691604    -14.30365976
  O     19.14994799     11.17415761     -8.49384349
  H     20.37056463      9.69982240    -16.17360798
  H     19.20008964     15.67122022    -13.60620769
  O     20.14683166     16.99749773    -12.76544826
  H     21.00673843     13.54685949    -16.08524642
  H     18.43776852     14.37383709    -13.22843984
  O     21.93112385     12.39665584    -11.20720910
  H     20.32349112     14.14949685    -14.81192311
  H     23.23332709     15.08329847    -12.19579667
  O     16.76745206      9.02237164    -12.18713005
  H     20.45682535     15.10705113    -10.16942899
  H     24.37304693     14.99261077    -11.15185747
  O     20.67469724     12.73334468    -17.61561135
  H     21.87258682     15.55414094    -10.58739268
  H     20.19728677      8.66716961    -13.19091846
  O     22.58010224     15.73604570    -13.67700600
  H     21.94097174     11.82734924    -12.90516350
  H     19.28012130      9.77948911    -12.67835916
  O     18.80042496     14.87100274    -13.97247724
  H     21.72146807     12.36704508    -14.35502309
  H     18.56730677     11.30251474    -14.23382268
  O     23.47001873     14.73590415    -11.31671876
  H     15.75760128     13.37684322    -14.39801698
  H     19.98486263     11.53373029    -13.61250130
  O     19.60642026      8.89171995    -12.46315106
  H     15.29769767     12.07248451    -13.71852133
  H     16.95065777     14.42536472    -16.62741167
  O     19.04655934     11.44310666    -13.40603045
  H     16.74850631     10.73145546    -15.27639493
  H     17.64954239     14.31964588    -15.25534317
  O     17.00204471     13.89115183    -15.83841265
  H     17.33737617     12.04526500    -15.87248775
  H     18.14239981     12.51664738    -12.40517810
  O     17.62298937     13.20995797    -11.96101890
  H     19.77577662     10.65590610     -9.03220268
  H     16.76042536     13.23728972    -12.40187135
          69
 Energy    -248.66018370647450     
  O      0.42543087      3.21337023      3.91071619
  H      0.68942714      3.70596113      3.12373968
  H     -2.44142235     -2.75428469      4.66991602
  O     -2.03316672      2.06363509      3.33936306
  H     -0.47399250      2.90115244      3.73398354
  H     -1.55949453     -0.43290673      1.70052865
  O      0.12795512      2.19920386      6.55362752
  H     -1.55731851      1.36914651      2.85511156
  H     -0.04089940     -0.26851824      2.02727540
  O      2.40093578     -2.14255577      0.38890521
  H     -2.63027485      2.44851365      2.68489399
  H     -2.81821414     -2.32237429      1.77587752
  O      0.21915240      1.14101461     -2.24117995
  H     -0.69381453      1.71172511      6.42109545
  H     -3.45921593     -1.35443356      2.80547928
  O     -1.64444174     -0.87795009     -1.44309015
  H      0.25447272      2.72773438      5.75404977
  H      1.89959957     -1.40291675      1.98307181
  O     -3.80209636     -1.37090408      4.65209916
  H      2.97848926     -2.85846893      0.14070508
  H      1.92908600     -0.20488850      3.00557775
  O     -4.03251368      0.19851950     -0.15501565
  H      1.49129877     -2.41783075      0.16492896
  H     -0.69675720     -2.16040759     -0.59422997
  O     -0.60585910      2.42147815      0.07976350
  H      1.02393826      0.87052887     -1.75874307
  H     -0.70821715     -3.21575150      0.54969766
  O      2.36566889      0.44442400     -0.80225659
  H      0.48508021      1.33190912     -3.13583332
  H      1.45186972      1.05641499      6.65703570
  O     -1.87679897     -3.90629194      1.88429713
  H     -2.43282974     -0.42859161     -1.12137211
  H      2.64901083      0.35538579      7.34474936
  O     -1.63428008     -3.25770748      4.50875023
  H     -1.05320903     -0.18992937     -1.77379903
  H      2.51391891      2.95940131      1.22593067
  O     -0.84034148      0.20543172      1.76618463
  H     -3.22626125     -0.69801551      5.05315344
  H      3.10772949      1.88547096      2.14541388
  O     -3.17869737     -1.43246837      1.88480397
  H     -4.62083956     -1.35765823      5.14098016
  H     -1.17961291     -0.12305224      5.37713257
  O      1.44373505     -0.99595321      2.72950708
  H     -3.82426154     -0.40761944      0.57565745
  H     -2.03945056      1.06169682      4.80599356
  O     -0.14584802     -2.78977676     -0.10538100
  H     -4.87241906     -0.08268421     -0.51107074
  H      0.91163586     -0.88397003      5.76368314
  O      2.13034434      0.36585449      6.54515037
  H     -0.36680194      2.11880550     -0.80511625
  H      0.64843284     -1.27907210      4.29594185
  O      3.10092714      2.19387186      1.23141132
  H     -0.64874289      1.62461469      0.62950748
  H      2.57413460      0.97828199      4.77252712
  O     -1.95185673      0.43825089      5.54461888
  H      2.68157058      1.05399521     -0.11980025
  H      1.77353392      1.95070611      3.87949422
  O      0.25477264     -1.28369665      5.18188836
  H      2.44910052     -0.44452364     -0.44028744
  H     -2.41550562      2.82382949      0.56706966
  O      2.49042141      1.29940440      3.86722370
  H     -1.69927525     -3.74967384      2.82879082
  H     -3.66596501      1.94854644      0.58293101
  O     -3.28864803      2.74582446      0.97476198
  H     -2.16032075     -4.81355027      1.80533024
  H      0.99127672      5.05631424      0.92987917
  O      1.04066004      4.20094220      1.34857840
  H     -0.91464844     -2.70197812      4.83629040
  H      0.43463518      3.61375029      0.86380388
          69
 Energy    -248.66005549235402     
  O     -7.81820594     -1.88763706      6.10477819
  H     -6.95144636     -1.48367148      5.94869399
  H     -3.35641777      1.49862941      3.36121795
  O    -10.07692747     -2.57164052      2.31094022
  H     -8.42652473     -1.17700915      6.33129268
  H     -7.29656090     -0.56315335      3.14010199
  O     -8.30667590     -3.75420152      4.20890052
  H     -9.54189893     -3.08071865      2.93226239
  H     -7.70245513      0.68801530      2.30365966
  O     -4.98859495      0.44731324      0.82525679
  H    -10.43296631     -1.83897473      2.82956938
  H     -1.10225028      2.84275688      3.23886364
  O     -4.79290486      5.08190375      0.79364854
  H     -8.18585538     -3.11772509      4.93793916
  H     -2.48392471      3.53810863      3.16722204
  O     -9.87911265      1.12173306     -0.26578014
  H     -8.28308009     -4.62371683      4.59854921
  H     -9.88841901      4.86235118      3.56562722
  O     -9.66354694      0.28132304      6.54820780
  H     -5.19623207     -0.45151895      0.54705872
  H     -8.70111021      4.17262344      2.85823929
  O     -5.34275536     -0.93964991      5.21334803
  H     -5.82100470      0.93901219      0.74654988
  H    -10.96050624      1.15439428      2.72049832
  O     -3.42928411      2.76248392      0.44183251
  H     -4.55446757      5.70061534      0.10878572
  H    -10.55159175      2.63106368      2.51620153
  O    -10.47427161     -0.23245682      3.83840429
  H     -4.32409485      4.25064215      0.59550698
  H     -6.99699498     -2.84651243      3.24499944
  O     -6.11419259     -2.07251951      0.16062618
  H    -10.45960411      1.31881698     -0.99556462
  H     -6.23388797     -2.28089245      2.00023807
  O     -4.20543955      1.05530935      3.48113646
  H    -10.34820718      1.38364057      0.54699082
  H     -9.23843403     -1.93188629      0.84491172
  O     -7.82673229      0.24268281      3.15053690
  H     -9.96729501      0.57482983      7.40338272
  H     -9.17763570     -0.68287250     -0.06874002
  O     -1.99354342      2.73409749      2.91925510
  H     -9.14750982      1.01160292      6.16775781
  H     -8.76339387      2.78947379      4.62329271
  O     -9.51295177      4.00776670      3.36604704
  H     -4.86673215     -0.19947180      4.82165314
  H     -8.00606086      1.44534776      4.45462951
  O    -10.97469297      1.88164470      2.08247382
  H     -5.54193681     -1.50805861      4.45443085
  H     -4.00665277      5.09778251      2.59318217
  O     -6.35619767     -2.18554174      2.95162044
  H     -2.80536131      2.70891023      1.17646745
  H     -4.36969024      4.40223503      3.91872051
  O     -8.74256309     -1.51944479      0.12132152
  H     -3.90183914      1.91954490      0.43704923
  H     -6.50761021      2.86727855      4.83493906
  O     -8.23238560      2.13819556      5.09852469
  H     -9.55472259     -0.14803385      3.53671550
  H     -5.24351864      2.39754603      4.06100954
  O     -3.64572479      4.84082517      3.45023179
  H    -10.43632515     -0.15764229      4.79756867
  H     -7.36204289      2.63184236      1.16720697
  O     -5.74876021      3.18035246      4.32944198
  H     -5.92495033     -2.72634972     -0.50624642
  H     -8.22332897      1.61566983      0.33094677
  O     -7.39476325      1.73468611      0.81224310
  H     -7.06495002     -1.86397085      0.08872265
  H     -6.60647838      3.82903068      2.89387768
  O     -7.06844547      4.17947408      2.11579715
  H     -4.48245553      0.74828594      2.60698882
  H     -6.39228874      4.60766705      1.57573856
          69
 Energy    -248.65989270156541     
  O     12.38864116     10.64770241    -10.12229517
  H     12.22892677      9.79374025    -10.54030912
  H     15.35653116     11.65914641     -9.40368730
  O     15.43896273     10.38814902    -12.85018791
  H     11.94604154     11.29187762    -10.68793871
  H     10.38265952     11.45531330    -16.53655111
  O     17.46984972     13.46228878    -14.51174316
  H     14.88156279     11.13362296    -12.59000150
  H     11.24169879     11.01104873    -15.33566340
  O     16.18033899      6.41354842    -13.46239346
  H     16.34324018     10.69429126    -12.71890694
  H     15.58982288     13.83587342    -14.67689862
  O     11.48522303     12.22595308    -12.31483816
  H     17.34006029     12.78283752    -15.20086039
  H     14.44770737     13.08434992    -15.39935974
  O     11.72425782     13.98934276    -14.44392604
  H     18.12635180     14.06783820    -14.84639497
  H     17.15908399     10.69605435    -16.19349340
  O     14.01841383     11.71540361    -16.55266168
  H     17.07893786      6.76785679    -13.41994963
  H     16.01391236     11.63075862    -16.68076303
  O     16.45957751      8.61868729     -9.36671354
  H     15.68203517      6.86176158    -12.76737823
  H     15.34181032     13.13731949    -10.96811541
  O     14.18580691     12.80013129    -12.21565440
  H     11.51474445     11.42068788    -12.84967112
  H     16.02475912     14.06264466     -9.93037030
  O     14.15803623      9.41647924    -15.07158414
  H     11.42482582     12.95913496    -12.94511049
  H     17.99480129      8.63666954    -14.99689132
  O     18.69353172      7.71208472    -13.47982849
  H     11.47761988     13.31636510    -15.09136936
  H     16.85096552      8.33896370    -15.97383590
  O     14.97728554     10.82889357     -9.09701909
  H     12.66460061     14.15246706    -14.58245106
  H     17.73108051     12.44024679    -12.96070143
  O     11.17803557     11.66314338    -16.05152409
  H     13.06400084     11.81093914    -16.64141883
  H     17.28254271     12.36474484    -11.47698606
  O     14.62922366     13.77460227    -14.74467733
  H     14.13429263     10.87106243    -16.08901679
  H     11.66642597      9.27751989    -13.18785960
  O     16.92507965     11.61988466    -16.37158183
  H     16.66193578      8.25806483     -8.50815314
  H     12.55613650      9.70435915    -14.36392801
  O     16.06356769     13.19104477    -10.31553456
  H     15.93231006      9.42610046     -9.21686957
  H     15.63011504      6.74284282    -15.06335065
  O     17.52052927      8.99703576    -15.75564218
  H     13.24058753     12.62272040    -12.13667929
  H     15.24062760      6.32276422    -16.50396245
  O     17.74206038     11.87868458    -12.17499930
  H     14.33548577     13.18653709    -13.08997521
  H     13.05596599      8.06665830    -11.63203288
  O     11.71103816      9.89544535    -13.92771918
  H     14.50834871      8.58762858    -15.41866250
  H     11.67939052      7.42349179    -11.35023608
  O     15.37258589      7.07993620    -15.94130060
  H     14.74544453      9.71971083    -14.36302913
  H     17.80925803      9.10695114    -10.62590592
  O     12.09648872      8.21934579    -11.67117502
  H     19.57530220      7.34922717    -13.48737867
  H     18.33407811     10.24562640    -11.54646504
  O     18.43826828      9.30973702    -11.32834024
  H     18.63435317      8.28289928    -12.69321844
  H     15.04585516      8.85237782    -12.01897524
  O     14.83716700      8.02482546    -11.55850390
  H     14.05902006     10.80513608     -9.40379342
  H     15.34682837      8.05293019    -10.73894725
          69
 Energy    -248.65988740818031     
  O     -3.95085795     -1.21354065      0.66490785
  H     -3.88217153     -0.40270868      0.13409103
  H     -0.84615796     -1.84946447     -1.49273205
  O     -1.45854666      3.84590834     -2.27452935
  H     -4.80286459     -1.59678252      0.47053462
  H     -1.39553327      3.96684810      6.66337279
  O     -3.58533325      1.25615040     -0.53174889
  H     -1.11246706      2.95130750     -2.15797112
  H     -1.38352670      2.90146000      5.54141388
  O      1.16428927     -0.00083777      4.52776925
  H     -1.06631031      4.39984748     -1.58605907
  H     -2.76758653      7.43417951      1.66687914
  O      1.80175070      5.27214357      1.34526443
  H     -3.53090207      1.70480280      0.32242419
  H     -2.68623155      6.02719339      2.29917145
  O     -0.84255565      3.09696326      1.53406097
  H     -3.89172164      1.92229916     -1.16097782
  H     -2.52032035      2.83388097      1.83498765
  O     -1.35769436      1.20979694      5.12734375
  H      1.67964559      0.76558856      4.21629024
  H     -3.96374472      3.33495958      1.46069384
  O     -2.86923172      0.14753961      2.93429034
  H      1.72624290     -0.48948539      5.12266633
  H     -3.32583872      4.13275476      3.29430476
  O     -0.25401934     -0.63000697      2.20415436
  H      2.31192648      4.48316302      1.12399154
  H     -2.45231393      4.67527912      4.43234938
  O      2.45684493      2.17898841      3.62443256
  H      1.48323672      5.12387263      2.24541728
  H     -0.82917286      0.24583539     -2.05466536
  O     -4.11706604      3.50995219     -2.13672685
  H     -0.76245669      3.85164422      0.93311058
  H     -1.84814599      1.11179375     -1.26585390
  O     -0.63016191     -1.48845471     -2.36966711
  H     -0.25851301      2.40604557      1.19927127
  H      0.01043571      4.23782154      4.47262384
  O     -1.35381395      3.85934136      5.71717098
  H     -1.95830064      0.77200215      4.51302877
  H      0.02723056      3.82189941      2.98884366
  O     -2.59479865      6.51825185      1.46362885
  H     -0.49719349      0.78943996      5.00611017
  H     -3.94355895      5.37728500      0.61418673
  O     -3.47069292      2.65368920      1.94599433
  H     -3.16687938      1.03702518      2.69181402
  H     -4.43732622      4.39396321     -0.48681920
  O     -2.98269241      4.94882724      3.67404672
  H     -3.31980206     -0.45262617      2.32840182
  H      0.27194724      1.13539991     -0.39066940
  O     -0.97219146      1.12476662     -1.67221236
  H      0.29259654     -0.54644656      2.99573942
  H      0.52689419      0.46715129      0.99832580
  O      0.56626908      4.22567939      3.68583607
  H     -1.13936008     -0.32831774      2.45049672
  H     -0.83914621     -1.84675057      0.87675010
  O     -4.53343087      4.63325931      0.44366880
  H      1.86251731      2.92976354      3.76422706
  H     -2.25531252     -2.05085204      0.31635373
  O      0.82237152      1.17124523      0.40469882
  H      2.82387248      2.30587672      2.74237716
  H      2.28543710      2.13078765      0.63878498
  O     -1.32944572     -2.27436131      0.16292558
  H     -3.16483681      3.68951612     -2.24912665
  H      3.74875874      2.47674923      0.28189612
  O      3.03735280      2.70037813      0.87658762
  H     -4.53197835      3.67762542     -2.97797149
  H     -1.19256885      5.86131089      0.41520375
  O     -0.55025733      5.32774584     -0.07072368
  H     -0.21886481     -2.19771945     -2.85519385
  H      0.32044514      5.45094153      0.33870166
          69
 Energy    -248.65981541613425     
  O     15.83139843     10.15794884    -15.30380825
  H     16.70886734      9.74749401    -15.30179098
  H     13.40596251     11.67423006     -8.87544405
  O     15.14044979      7.07779169     -9.10077703
  H     15.17171004      9.48984895    -15.53241394
  H     17.22403352      5.09186361    -14.75062563
  O     16.34129717     12.81301246    -15.58173058
  H     15.36915904      6.51907947     -8.36362424
  H     18.57231168      4.35533430    -14.58406560
  O     12.77471672      8.39780498     -9.98687343
  H     15.56937316      7.94017321     -8.94995233
  H     15.48439608      8.09096306    -12.05226005
  O     13.91630763      8.25733275    -15.74669932
  H     16.06711346     13.14858593    -16.43091926
  H     15.50015838      7.02658320    -10.91031534
  O     18.39064160      9.21432340    -15.01475344
  H     16.07363376     11.87731661    -15.54880498
  H     18.19571857      6.38935359    -16.13474610
  O     18.25039463      7.43765569    -12.82167656
  H     13.47808169      7.83882894     -9.63569359
  H     18.23667120      7.91021864    -16.31119512
  O     11.58042494      7.78779423    -12.34237879
  H     13.02315306      9.30180911     -9.75952013
  H     18.70858873     12.98301269    -11.08577838
  O     15.60866365     13.25335843    -12.88041151
  H     14.32631179      7.76631816    -16.47085210
  H     18.17350173     11.58938284    -11.48120723
  O     12.37727153     10.02259056    -13.95062079
  H     13.83260958      7.62919274    -15.01517868
  H     16.36889272      6.89719054    -17.33402960
  O     13.52382354     11.68369411    -12.05556856
  H     18.69197383     10.10961206    -14.80124422
  H     15.39629357      6.48171397    -18.46282944
  O     13.78485636     11.01782658     -9.45468682
  H     18.40216690      8.68116652    -14.20899811
  H     15.64066662      9.93994009    -13.50806552
  O     18.17745080      5.22325176    -14.59987557
  H     18.40784468      6.66736085    -13.38253640
  H     14.80008252     10.39127487    -12.29584317
  O     15.64703468      7.15444558    -11.85517771
  H     17.36481940      7.29237251    -12.45711484
  H     18.10015948     12.31583879    -14.93113053
  O     18.00909056      7.09059029    -16.77110219
  H     11.98544930      8.00241375    -11.48324223
  H     18.72289123     12.15777250    -13.53934218
  O     18.18396009     12.52573833    -11.73868559
  H     10.67450537      7.54766702    -12.16566194
  H     17.03584453      9.89694827    -11.70811758
  O     15.43482741      6.70902563    -17.53782508
  H     15.81306813     13.23561757    -13.82401699
  H     18.31474928      9.05538418    -11.60008688
  O     15.51087994      9.79753252    -12.56161264
  H     16.44316065     13.07433932    -12.43153561
  H     14.39898851      6.58876742    -12.99743513
  O     18.81951985     11.87955544    -14.45773568
  H     12.80583852      9.58873829    -14.69582672
  H     12.88109894      6.75715551    -13.22533237
  O     17.88516122      9.83698370    -11.23764171
  H     12.02112393      9.30355082    -13.41217474
  H     16.85910010      9.70391301     -9.63044545
  O     13.68768913      6.42086795    -13.63419083
  H     13.05774285     11.25074484    -12.78577462
  H     15.46107500     10.15561708     -9.11733923
  O     16.19882639      9.55691837     -8.94209230
  H     14.16635032     12.32322076    -12.40191072
  H     15.42686313      5.44992853    -16.07145934
  O     15.53080328      4.99262359    -15.22798445
  H     13.64141368     11.33318071    -10.36432680
  H     14.82117017      5.32503963    -14.66362003
          69
 Energy    -248.65980754115679     
  O     13.81785519      4.20366071    -16.11146984
  H     13.87146251      4.11417201    -15.15192819
  H     17.43943716      7.56170224    -16.54121146
  O     17.96279669      6.34778214    -12.13255599
  H     13.58947770      5.13158396    -16.26826902
  H     16.65425430      5.89062906    -15.56581413
  O     16.23870775      6.53158224    -18.90407910
  H     17.35187458      7.05252230    -12.39291662
  H     15.34507682      6.74313469    -15.78123207
  O     14.33888650      5.69023750     -9.96405059
  H     18.80999773      6.54917627    -12.55029126
  H     12.66687981      7.65192073    -13.50070984
  O     14.12589039      4.35414635    -13.30675760
  H     16.12238733      5.62242355    -18.60282904
  H     11.26383272      8.10783453    -13.93535434
  O     16.19305375      8.19741197    -13.16015451
  H     17.02995533      6.87130581    -18.47007118
  H     16.79499336      3.00804039    -11.66565030
  O     17.68907837      4.36508303    -15.90049888
  H     15.28390709      5.63905893     -9.77542783
  H     16.84402836      3.57499615    -10.24207418
  O     13.84662918      2.99302271    -10.84661812
  H     14.05876407      4.78329793    -10.13966871
  H     13.70715523      7.53376075    -17.09237554
  O     19.18964842      9.28213484    -14.85067953
  H     13.98989121      5.27711113    -13.05167884
  H     13.05354925      7.37311821    -15.67179556
  O     15.79998043      3.85058973    -17.89136619
  H     13.89639550      3.81837763    -12.53693858
  H     21.14172301      7.35267094    -13.26189539
  O     19.91951801      5.99845709    -16.19217460
  H     16.22711423      7.67103407    -13.97713522
  H     19.89593251      7.96738326    -13.94079044
  O     18.14919379      7.84307823    -17.14271360
  H     16.30591804      9.11351928    -13.43637922
  H     15.93445540      4.13170049    -13.33953594
  O     16.25218214      6.75974532    -15.44665926
  H     17.43587777      4.01460124    -15.03464419
  H     17.28336688      4.79377970    -12.92968196
  O     12.15176975      7.97671138    -14.25743289
  H     17.09423284      4.01499112    -16.57528513
  H     17.52431142      5.75673111    -10.50508139
  O     16.55864880      2.80509381    -10.75035450
  H     14.80080640      2.81465401    -10.76567074
  H     17.75609246      5.70384785     -8.97819216
  O     13.61774853      6.94660400    -16.33292368
  H     13.39187781      2.23351294    -10.49353851
  H     14.99952551      7.75941370    -18.77709220
  O     20.24514711      7.15876906    -13.52414315
  H     18.43760278      9.83523602    -14.60975615
  H     13.94199140      8.70661155    -19.39426395
  O     16.89197598      3.99075001    -13.29998069
  H     18.96438514      8.90220803    -15.70835641
  H     14.64779908      7.48307230    -12.54785714
  O     17.18879591      5.38120333     -9.67392117
  H     15.62999966      3.10638480    -18.46249678
  H     13.95413127      6.63307443    -11.43612209
  O     14.35368374      8.45989654    -18.57055650
  H     15.04672102      3.91270594    -17.27535765
  H     16.51850422     11.57067132    -14.31348657
  O     13.84823459      6.98292967    -12.33270893
  H     20.13118106      6.26497486    -15.29094587
  H     16.46717856     10.45123574    -15.37792096
  O     16.69677314     10.64430301    -14.45134535
  H     19.23317286      5.31885219    -16.11118697
  H     17.02611115      9.38905864    -17.27600097
  O     16.27834606      9.96166169    -17.06092259
  H     18.88528572      7.23306258    -16.98072856
  H     15.52970483      9.59030556    -17.54179177
          69
 Ord_Energy   -248.659515    
 O   -3.11653924       11.3067360       3.96535039    
 H   -3.56815767       12.1230974       4.16673088    
 H   -3.69600129       10.8059006       3.36515045    
 O   -6.45075274       7.81945419       2.48473930    
 H   -5.74147129       8.48243809       2.47456837    
 H   -7.01665211       8.03246689       1.73389232    
 O   -2.01558208       8.24741077       2.30225110    
 H   -1.66110146       7.94834042       3.15037894    
 H   -1.58343697       9.08345890       2.08819008    
 O   -7.57831526       8.52154350      -2.44857091E-02
 H   -7.15109682       7.76541090     -0.467807710    
 H   -8.44723606       8.60927105     -0.406444877    
 O   -4.08309793       5.09553242       4.02016115    
 H   -4.45200491       5.04693890       3.12982321    
 H   -4.54928017       5.81364870       4.46298361    
 O   -2.64169955       6.33526564      0.472674161    
 H   -2.38163495       7.00231457       1.12646806    
 H   -1.83289874       5.87581396      0.217213586    
 O   -4.40068913       9.59498215       2.27921939    
 H   -4.59465742       9.78222084       1.34990799    
 H   -3.60611010       9.04002285       2.31021643    
 O   -1.46818841       4.77209044       4.62148285    
 H   -2.40982270       4.83345461       4.38245010    
 H   -1.39453757       4.07611895       5.26932240    
 O   -3.69884133       7.83228016      -1.58831847    
 H   -3.31038928       7.28523016     -0.888654232    
 H   -2.96380568       8.30982113      -1.99161983    
 O   0.336825013       8.13718033     -0.675896823    
 H   0.747478306       8.58293629       7.38695487E-02
 H   0.264674336       7.20193815     -0.450188488    
 O   -5.08625078       9.90541172     -0.364476234    
 H   -6.00796747       9.62836266     -0.308712751    
 H   -4.61752415       9.18893719     -0.820510566    
 O   -5.12117052       5.50822687       1.40047216    
 H   -4.23705578       5.76212740       1.09152853    
 H   -5.54560614       6.29820061       1.76180196    
 O   -3.20522308       8.92522049       5.68289328    
 H   -3.20085335       9.76624966       5.21208906    
 H   -4.03008556       8.47737598       5.45999193    
 O    1.46632361       7.54095268       3.46502185    
 H   0.697218955       7.67340517       4.03730583    
 H    1.46441996       8.27135181       2.83651805    
 O   -6.15377998       6.48133039      -1.09293294    
 H   -5.87105894       5.93861437     -0.345546991    
 H   -5.34719515       6.86090326      -1.46577930    
 O   -5.56483603       7.34389162       5.05138588    
 H   -6.01003742       7.48938084       4.20102501    
 H   -6.25370359       7.21444225       5.69999790    
 O   0.464611858       5.13799953       2.52512932    
 H  -0.188272968       4.91625881       3.19772935    
 H   0.924413562       5.93039417       2.84153509    
 O   -1.01291585       7.54273224       4.78641081    
 H   -1.16404784       6.59166861       4.86366129    
 H   -1.73373306       8.00228500       5.24102783    
 O   -1.08675456       10.8719635       1.95196402    
 H   -1.57684147       11.0591536       1.13445318    
 H   -1.63284135       11.1492510       2.69569039    
 O    1.33874166       9.67225933       1.52203906    
 H   0.545140386       10.2008753       1.70788407    
 H    2.06960511       10.2843037       1.47311676    
 O   -2.49523854       11.1466532     -0.376848936    
 H   -2.09073853       10.6174784      -1.07695472    
 H   -3.43849158       10.9532413     -0.421396196    
 O   -8.29065070E-02   5.37916946      -7.24101067E-02
 H   0.298676461       4.64755869     -0.548763216    
 H   0.144103155       5.25301790      0.868303001    
 O   -1.43186486       9.34028530      -2.30283451    
 H  -0.770077050       8.90007877      -1.73793244    
 H   -1.00106168       9.53763580      -3.12988973    
          69
 Ord_Energy   -248.659454    
 O   -3.50765705      -8.76938248       8.27930069    
 H   -2.57377124      -8.94102478       8.37011433    
 H   -3.80186844      -9.25641155       7.48869467    
 O   -5.58511734      -8.37280655       10.1567430    
 H   -5.98109770      -7.61178207       9.70703316    
 H   -4.78158808      -8.56343937       9.65517521    
 O   -4.69296312      -6.53009605       6.85949326    
 H   -4.17053366      -7.17687702       7.34838533    
 H   -5.39732075      -6.26127338       7.46543789    
 O   -4.34850454      -9.88995457       5.95297432    
 H   -4.95307589      -10.6255970       5.79240036    
 H   -4.66513729      -9.17325211       5.39057302    
 O   -10.2300053      -10.7739134       5.17196465    
 H   -9.46857071      -10.2239933       4.94835377    
 H   -10.8299713      -10.2396202       5.71423626    
 O   -9.02469349      -5.74137115       10.3060226    
 H   -8.68478107      -6.45543623       10.8759460    
 H   -9.26892281      -5.02160025       10.8812323    
 O   -9.63071632      -9.87174892       10.3643723    
 H   -8.80894756      -10.1761599       9.95223808    
 H   -10.3254509      -10.4861088       10.0970259    
 O   -7.79868317      -9.39627457       4.78835821    
 H   -7.31869411      -10.2197056       4.96828032    
 H   -7.12499475      -8.73702335       4.57702971    
 O   -6.39883137      -11.7090073       5.39478540    
 H   -6.74110699      -12.0786448       6.22044516    
 H   -6.52396774      -12.3788500       4.71154928    
 O   -5.56860209      -7.67334080       4.54904175    
 H   -5.29669809      -7.19037819       5.34973955    
 H   -5.20314741      -7.19524002       3.80896306    
 O   -7.20456791      -10.3737221       9.06958199    
 H   -6.55045700      -9.86399174       9.56296921    
 H   -7.50831366      -9.76960278       8.37439919    
 O   -10.2166700      -12.6962414       7.17683554    
 H   -10.1859646      -12.0272150       6.47627592    
 H   -10.3643160      -13.5515032       6.75340271    
 O   -9.75345039      -13.1519966       3.69558024    
 H   -10.1042738      -13.8310776       4.28443050    
 H   -10.0144844      -12.3020086       4.07417011    
 O   -10.3051291      -15.0903044       5.76058245    
 H   -10.6986189      -15.9580879       5.76563883    
 H   -9.34649849      -15.2113628       5.88915825    
 O   -8.09535599      -8.41915131       7.35260439    
 H   -8.10636997      -8.70118141       6.43067408    
 H   -8.98925495      -8.19040108       7.63939476    
 O   -7.47213888      -12.7697992       7.72411823    
 H   -7.26574469      -12.0263805       8.30757809    
 H   -8.43208790      -12.7564068       7.60323763    
 O   -7.10199165      -13.7306404       3.60984349    
 H   -6.82963228      -14.0095959       2.74019432    
 H   -8.04681492      -13.4994497       3.55167007    
 O   -6.82243872      -6.34339714       8.62934780    
 H   -7.23843050      -7.04938316       8.10843468    
 H   -7.52436304      -5.94488192       9.15521908    
 O   -11.7671900      -9.49913692       7.08409929    
 H   -11.9069853      -10.1550312       7.77674389    
 H   -11.4454422      -8.71744347       7.55147934    
 O   -10.3894463      -7.70036077       8.74868870    
 H   -10.1975851      -8.43111706       9.35639000    
 H   -10.0807419      -6.90199089       9.19224739    
 O   -8.03559875      -7.89212370       11.6539812    
 H   -7.14617825      -8.12917709       11.3648634    
 H   -8.61164856      -8.62545109       11.4000483    
 O   -11.6052237      -11.5105505       9.19859695    
 H   -11.1197481      -12.0192938       8.52646255    
 H   -12.2952690      -12.0785904       9.53175831    
 O   -7.60928869      -15.1010866       6.07969284    
 H   -7.39430904      -14.4364166       6.74720335    
 H   -7.29262972      -14.7483168       5.23815250    
          69
 Energy    -248.65934181216065     
  O     -1.20818970      2.83185517      2.53976496
  H     -0.68447550      3.42709503      1.97894084
  H     -0.95618641      7.53477675      0.28620819
  O     -3.21055818      5.26280354     -0.02407491
  H     -1.95509358      2.55525336      1.99540895
  H      2.21805819      0.19050470      0.04102684
  O      2.90236805      7.29869523      0.28866438
  H     -3.36091363      5.75344244      0.79417591
  H      1.99370974      1.72349040      0.04118008
  O      1.35947418      8.45088841      2.39136512
  H     -2.41312629      5.64287113     -0.41352009
  H     -0.84030629      3.05761259     -2.02382789
  O     -0.72211586      6.16340366     -1.08890767
  H      3.35295249      6.52448144      0.65652716
  H     -1.93825819      3.89399813     -2.73172938
  O      2.36446657      3.36410982     -0.35996970
  H      2.47510583      7.74988364      1.02441500
  H     -1.78855627      0.58012428     -2.14445266
  O      0.32060866      4.61504676      1.04071891
  H      1.41053136      9.33935634      2.73313468
  H     -2.07612152      0.17820054     -3.60119493
  O     -3.23026344      6.75308668      2.35512094
  H      0.49792147      8.36800823      1.94371047
  H      3.46835014      3.68407013      4.53739073
  O     -0.81693481      1.54782885     -0.96342353
  H     -0.82432005      5.36404709     -1.62958604
  H      2.41137535      3.18476794      3.52668177
  O     -1.70411249      5.21372871      3.94843405
  H      0.05303584      6.62231268     -1.44287712
  H     -4.15955508      3.17499126     -2.34214912
  O     -3.03085532      2.49749296      0.48230476
  H      2.27127567      3.68063943     -1.26958380
  H     -3.80270111      4.54846971     -1.75443907
  O     -1.00493834      8.02211867      1.11544814
  H      1.67546159      3.80026803      0.16479076
  H      0.43240163      2.08839973      3.02798635
  O      1.61596966      0.87203072      0.32873994
  H      0.56520327      5.14435926      1.81223578
  H      1.51382106      1.41982594      2.17266633
  O     -0.98777409      3.85370191     -2.55230624
  H     -0.03126167      5.21259577      0.37196779
  H      1.83171186      5.38331608     -2.68922324
  O     -2.46344183      0.19879803     -2.72911910
  H     -2.71753119      6.19799270      2.97092790
  H      0.85780196      4.21562408     -2.95062982
  O      2.94881680      3.95476092      3.78498453
  H     -3.93746340      7.14563425      2.85943150
  H      1.25480558      6.78159934      3.21684299
  O     -3.75471283      4.02256733     -2.56287385
  H     -1.49357243      1.84803737     -0.34037983
  H      1.72402108      5.34242157      3.65741514
  O      1.37402719      1.86869176      3.01435211
  H     -0.04151872      1.26767559     -0.46419968
  H      3.74408945      4.62382478      2.16909020
  O      1.79225743      4.42926215     -2.83103820
  H     -1.66322982      4.30484651      3.62319464
  H      3.60218417      4.33688298      0.66636118
  O      0.95796613      5.89414457      3.45260013
  H     -0.78921341      5.52747455      3.93183747
  H     -5.42804065      0.93831201     -1.68556789
  O      3.98425461      4.96064905      1.29845772
  H     -3.09514702      3.45202121      0.33266899
  H     -3.92592215      0.92656927     -2.05553348
  O     -4.62163844      1.44150600     -1.61111515
  H     -3.67560600      2.08372329     -0.10380649
  H      2.15171024      7.24270020     -1.23087944
  O      1.64090898      7.19778896     -2.06096586
  H     -1.78386894      7.68332024      1.57501857
  H      1.91404047      7.93759173     -2.59582074
          69
 Energy    -248.65918963366974     
  O     17.93037061      9.79261899     -8.38688733
  H     18.09828607      9.11290725     -7.72296180
  H     21.03580839      9.31046297    -10.32561247
  O     18.28110648      5.21155364     -9.42396643
  H     18.76281824      9.90073585     -8.86503729
  H     16.08567367      7.42678645    -15.06820933
  O     20.26715223      4.55479309    -12.10090667
  H     18.12719772      4.50846310    -10.06394424
  H     16.63240610      8.21060982    -13.85028921
  O     19.17468137      6.77763957    -13.38822676
  H     18.39133459      6.03149079     -9.93093193
  H     22.68223892      4.93472154    -10.16320678
  O     22.47498078      8.26184854    -10.98845483
  H     19.48507327      4.01752094    -11.92670763
  H     21.38445136      5.22750759    -10.93812329
  O     17.68576618      3.47975003    -11.49003339
  H     19.96679465      5.25121169    -12.70114663
  H     14.48183726      2.86971929    -11.21832516
  O     21.11668867      8.77941278    -13.48428257
  H     18.95508353      7.04857556    -12.48192918
  H     14.53988944      4.18488390    -12.01273466
  O     14.85309930      3.67884816     -8.09765774
  H     18.35271099      6.86351074    -13.88308862
  H     14.07330537      6.29565601     -9.75408808
  O     18.51872018      7.56725142    -10.82450951
  H     22.34494568      7.32523037    -10.76875193
  H     15.40467701      6.57115067     -9.01476390
  O     18.53189164      7.66227284     -6.56929610
  H     23.40048866      8.44945752    -10.84953190
  H     16.03828804      6.12736900    -12.88411691
  O     16.21727489      9.13383469    -10.44225827
  H     17.10314670      4.17685123    -11.82860127
  H     15.60394986      5.99962529    -11.38773193
  O     20.17970730      9.72009565    -10.15097402
  H     17.11222937      2.84208258    -11.04632583
  H     20.10583326     10.13870659    -13.06495897
  O     16.53106765      7.31936387    -14.23237714
  H     21.67250072      8.56331099    -12.72648097
  H     19.76661470     11.65030317    -13.07721124
  O     22.03804588      5.61843951    -10.33092929
  H     20.50399731      8.03732727    -13.59020278
  H     16.95523242      6.59918206     -7.09207699
  O     13.92656793      3.52853000    -11.65344279
  H     14.06201043      4.08289114     -8.47564773
  H     17.06495605      5.60785516     -8.25468278
  O     14.90271937      6.78470032     -9.81454106
  H     15.37776502      4.40923137     -7.74614150
  H     13.07476500      4.41436313    -10.40060162
  O     15.86722547      5.49957590    -12.17200724
  H     19.17190151      8.20659951    -10.51410322
  H     11.82426635      4.93144581     -9.64693805
  O     19.52497776     10.81841176    -12.67810817
  H     17.67017948      8.02712178    -10.77808951
  H     16.54252671      9.64110599    -12.14801616
  O     16.43354552      5.98583796     -7.61903158
  H     19.25918570      7.19680656     -7.01722161
  H     17.75669798     10.12975637    -12.96562858
  O     12.77710151      4.94368558     -9.63878762
  H     18.81570528      7.80302614     -5.66926136
  H     21.09264654      6.12874798     -8.61962053
  O     16.88996879      9.71677029    -13.04927446
  H     16.69355599      9.44059018     -9.65520270
  H     19.66296515      5.68752449     -8.37992965
  O     20.38699438      6.18617103     -7.96986139
  H     15.61022413      8.42946123    -10.18042304
  H     15.70891399      1.09822552     -9.74132385
  O     15.76140919      1.99894144    -10.04990548
  H     19.93636683     10.20677953    -10.95142947
  H     15.49121425      2.56462938     -9.30475592
          69
 Energy    -248.65901264672826     
  O     -7.97089477      2.52777910     -0.15540398
  H     -7.21024978      3.04474522     -0.47488459
  H     -5.27689629      0.55864928      3.15844263
  O     -4.31960310      2.65853894     -3.11758404
  H     -8.70521200      3.13156721     -0.08159422
  H      0.27667323      1.99014170      1.92516235
  O     -6.25643668      1.25391119      1.66478509
  H     -4.64671464      1.75796761     -2.94285181
  H     -0.69071375      0.78059585      1.92014605
  O     -3.30185698     -1.55217907      1.94457687
  H     -4.65693150      2.91219598     -3.97329608
  H     -1.64177232      2.42457297      0.97878032
  O     -1.23029111     -0.65086674     -1.69189424
  H     -5.54100585      0.98940765      1.06253963
  H     -3.02393580      3.12391519      0.83368467
  O     -5.14774683      0.19169681     -2.35195676
  H     -6.95785960      1.63908148      1.12347572
  H      2.03271201      0.32627672      0.81518736
  O     -4.91572854     -3.11410897      0.30572266
  H     -3.77363500     -1.08421342      2.64930906
  H      1.02088808     -0.82737376      0.90559947
  O     -3.64659843     -2.14633302     -1.89560551
  H     -3.88941537     -2.20018597      1.53560929
  H      2.51706150      2.89009526      0.98828720
  O     -1.69813307      2.08035948     -2.23273366
  H     -0.31276129     -0.79316470     -1.95719978
  H      1.53425282      2.27666995     -0.03577948
  O     -0.84741072     -0.78817376      1.08147090
  H     -1.45106624      0.25777086     -1.93883610
  H     -7.98249812      0.91473166     -1.22994912
  O      1.56476421     -0.73473979     -2.09414539
  H     -4.75383239      0.25419483     -1.46786008
  H     -7.69540235     -0.55843712     -0.89604864
  O     -4.55062029      0.18413001      3.67340783
  H     -6.10488504      0.10938565     -2.22338179
  H     -2.42480965      2.75483026      4.71382138
  O     -0.58070544      1.68600494      2.25042031
  H     -5.06953975     -4.05070194      0.21241429
  H     -1.91543211      2.16777532      3.38049637
  O     -2.30639306      2.70866883      0.33756667
  H     -4.46093917     -2.82181794     -0.50471178
  H     -6.44653459     -2.00519169      0.57523596
  O      1.91394625     -0.60742573      0.60432820
  H     -2.76757475     -1.74873975     -1.85250530
  H     -6.93621983     -0.69149469      1.22417632
  O      1.79097575      2.27786511      0.90416903
  H     -4.21735172     -1.46435235     -2.27375151
  H     -3.40898827      1.21961111      0.20146824
  O     -7.77472655      0.06450538     -1.63407373
  H     -2.49902058      2.30894106     -2.71727636
  H     -3.72921836     -0.21762050      0.71020096
  O     -2.71505811      2.43466047      3.86248831
  H     -1.85415745      2.39380729     -1.32764372
  H     -5.12220697      3.51366540     -1.55771798
  O     -7.21012933     -1.42041589      0.66020952
  H     -1.62953888     -1.19610703      1.47871223
  H     -5.14001995      3.96154503     -0.06663123
  O     -4.06355023      0.51188285      0.17319819
  H     -1.01054059     -0.73932035      0.12897747
  H     -5.16525698      2.83891074      1.87111045
  O     -5.68928410      3.83437252     -0.84585051
  H      2.19902233     -1.28190806     -2.54879070
  H     -3.91913204      3.29961420      2.64144313
  O     -4.46290877      3.50244374      1.86815738
  H      1.78325918     -0.77447482     -1.14579826
  H      0.17358784      2.19241289     -2.01744722
  O      1.08140416      2.06561809     -1.71336704
  H     -3.93759816      0.91184869      3.83133592
  H      1.32544736      1.17192242     -1.98487961
          69
 Energy    -248.65900795421945     
  O     13.54287412      7.05681118    -14.04675863
  H     13.67249088      6.40585326    -14.75031733
  H     17.14298355      5.61655461    -14.80276746
  O     17.71725846     11.70517185    -12.04352579
  H     14.32067431      7.63389752    -14.03742846
  H     15.47710476     11.01430003    -16.42639919
  O     16.77712375      7.59092200    -17.37718965
  H     16.78519870     11.42388482    -12.05007202
  H     14.91182995     12.22663890    -17.20319739
  O     11.85907850      9.24996079    -14.18896050
  H     17.72765024     12.61575792    -11.76092133
  H     15.60990081      9.33535931    -13.20055873
  O     16.18228173      7.92853396     -9.66394858
  H     15.87648766      7.50374344    -17.71660993
  H     16.10165695      9.06869975    -14.64759045
  O     13.46722581      6.28492830    -11.44402776
  H     16.94423442      6.79255350    -16.86331630
  H     18.82374251      7.32682170    -13.00678168
  O     15.17950255     10.75244490    -12.11838203
  H     12.38192832      8.43474709    -14.15040272
  H     20.36613665      7.40204454    -12.92559088
  O     14.04565903      7.30824459    -18.13704875
  H     11.42502614      9.32467446    -13.33137039
  H     11.70427397      6.39082630    -11.08137157
  O     16.12686153      5.51928121    -10.81484690
  H     16.93911202      8.46062943     -9.95516260
  H     10.27267130      5.86914950    -11.29050897
  O     16.81832991      9.97182645    -16.06173369
  H     15.39192079      8.46600119     -9.77043794
  H     19.18838475      9.53539232    -13.86751792
  O     14.17700435      5.35963049    -16.08944577
  H     13.47353263      6.47820352    -12.39562326
  H     18.52715005     10.88922346    -13.55925756
  O     17.02383279      5.26602330    -15.70005396
  H     14.31557369      5.88556998    -11.22497120
  H     16.74611224      7.23493517    -13.39864770
  O     14.67065884     11.53288524    -16.59542840
  H     14.66044956     10.20377693    -11.51653553
  H     16.90277033      6.04254053    -12.40458988
  O     15.78101434      8.63766984    -13.84496834
  H     14.56868354     11.14337576    -12.76412780
  H     18.85805845      8.82556787    -11.32941794
  O     19.57285061      7.92938417    -12.87331855
  H     13.66800693      7.24044883    -19.00989225
  H     18.20625991     10.18223586    -11.03140306
  O     10.76689143      6.63172822    -10.99996811
  H     13.58212125      8.03883854    -17.69014929
  H     12.35444930      9.35579072    -16.04941825
  O     18.85910417     10.34135211    -14.28224715
  H     16.37995220      4.84036046    -10.19558046
  H     13.40734279     10.15777611    -16.84554022
  O     17.26555303      6.43683675    -13.20752289
  H     16.18516880      6.37124092    -10.34047222
  H     12.74092460      9.28252289    -10.80246327
  O     18.35004677      9.30213993    -10.66285956
  H     17.62092271     10.13294670    -15.54383873
  H     13.65691754      8.05847313    -10.87496168
  O     12.83470449      9.38119214    -16.88526499
  H     16.92470317      9.16649791    -16.59082690
  H     13.86175424     11.68727201    -14.90100060
  O     13.64462220      8.99386681    -10.62826753
  H     15.12510178      5.21166808    -15.98772816
  H     12.86530696     10.82051084    -14.10174351
  O     13.46317745     11.57694489    -14.02909152
  H     14.07935603      5.94099200    -16.85584433
  H     10.20767249      9.80501724    -11.08519008
  O     10.92558317      9.31732094    -11.48098349
  H     17.61518167      4.52229783    -15.78648331
  H     10.76602816      8.37624877    -11.29118143
          69
 Energy    -248.65882221383364     
  O     15.08294286      4.35664958     -9.22276251
  H     15.11850686      5.21018953     -8.77800983
  H     17.03682872      4.54762995    -14.54015250
  O     13.14134785      4.08656618    -11.13574395
  H     14.35081710      4.37398901     -9.86004115
  H     13.98366076     10.32609922    -12.20968680
  O     17.28933664      3.77360451    -10.75278380
  H     13.02104163      3.12875958    -11.18787814
  H     14.19237152      9.54502357    -10.90524890
  O     19.31533878      6.88385417    -13.93048666
  H     13.26691561      4.39193964    -12.03951441
  H     15.71148609      7.67823670    -13.02679282
  O     12.30060120      7.37418280    -12.69818876
  H     16.53355367      3.99218568    -10.18626407
  H     15.13305943      6.28024660    -12.74299986
  O     13.10384669      1.24713392    -11.03330995
  H     17.76090458      4.59834970    -10.92852212
  H     14.56719043      7.51531756    -11.02142959
  O     14.87986041      1.54420199     -8.99242748
  H     20.18539574      7.02827700    -14.29219504
  H     14.18555983      7.52774076     -9.52702715
  O     18.01704503      9.23134985    -13.60376992
  H     18.89746345      7.76055655    -13.84347805
  H     16.07857141      0.77308207    -11.98280750
  O     17.18266045     10.33392544    -11.09816734
  H     12.66750542      6.56176733    -13.05878232
  H     14.56944545      0.93944608    -12.22671598
  O     13.99362855      5.12219932    -13.68481591
  H     12.64353260      7.43996954    -11.79494885
  H     18.74866302      6.41285105    -12.21269620
  O     15.47562321      8.72223675    -14.59175167
  H     13.67752607      1.28780821    -10.24670815
  H     17.28762097      6.52282475    -11.73627009
  O     17.29422324      5.24471860    -15.15872119
  H     12.38371519      0.66034209    -10.81836787
  H     15.87069350      2.52915896    -13.26737165
  O     14.48472233     10.33173787    -11.38705286
  H     14.94452469      2.50280799     -8.88034840
  H     16.54665964      3.63734788    -12.43915834
  O     15.67400114      6.98104392    -12.35933761
  H     15.72542638      1.26192939     -9.36325741
  H     17.40642469      2.00837774    -10.57635310
  O     13.87557038      7.79228225    -10.39964910
  H     17.17321719      9.18984879    -14.07519849
  H     18.13711275      0.67744690    -10.28618375
  O     15.42101427      0.89324260    -12.67993522
  H     17.82155599      9.61725740    -12.74141695
  H     15.86796518      5.95188275    -15.78948016
  O     18.17878060      6.26286140    -11.44986097
  H     17.46825287     11.20064401    -10.81926261
  H     14.85971253      6.16187579    -16.94865211
  O     16.13801497      3.45920882    -13.29601035
  H     16.21756583     10.38541099    -11.21600264
  H     15.31416659      7.20466998     -7.20544192
  O     17.27956343      1.04900864    -10.47554254
  H     14.15808867      5.51930811    -14.54995175
  H     16.10031195      7.35233334     -8.53110673
  O     15.00480834      6.34345047    -16.02428172
  H     14.68322806      4.44770997    -13.56611204
  H     17.36882412      8.85529274     -9.91605973
  O     15.31001700      6.95230460     -8.12468715
  H     14.63622769      9.16344712    -14.40792627
  H     17.86508977      7.40396223    -10.00035940
  O     17.44033951      8.03814216     -9.40791863
  H     15.28859779      7.98252719    -15.18411656
  H     12.25672638     10.22243281    -14.15475521
  O     13.00848078      9.76250215    -13.79166312
  H     18.00714164      5.74722841    -14.74781256
  H     12.67743349      8.91922827    -13.43338695
          69
 Energy    -248.65872488674341     
  O     16.92193887     13.80644387    -16.07848461
  H     16.76032421     14.70154056    -16.36406809
  H     19.46936436     10.06998272    -18.10327972
  O     17.45915735      6.18839610    -10.85862322
  H     17.87928580     13.64730219    -16.17938073
  H     17.15168226     10.45505660    -16.00605264
  O     19.19721178     12.39422276    -12.18102460
  H     17.12014364      7.07528277    -11.06377626
  H     16.89161442      9.40198603    -14.87988268
  O     19.51630633     13.15002456    -16.41945562
  H     16.95652118      5.87094056    -10.11229783
  H     17.60445442     11.30288010    -17.94228163
  O     17.02440269      6.89485826    -18.03360792
  H     18.32969285     12.48242017    -12.59642958
  H     16.63985501     12.23243544    -17.15121360
  O     16.75084014      8.74083042    -11.60270514
  H     19.24342032     11.48991504    -11.84108909
  H     20.52660855     10.70548425    -14.46174436
  O     15.95663537      8.02072335    -14.16687739
  H     20.10007621     12.97415311    -15.67130539
  H     19.17569454      9.99198852    -14.78624538
  O     21.01861338      5.52558630    -13.21635173
  H     19.60993998     12.40825308    -17.03015629
  H     17.40592483      6.35913281    -16.29752063
  O     18.42125525      4.74710309    -13.13507899
  H     16.75915605      6.33123810    -18.75520540
  H     18.60363337      6.63368836    -15.35627422
  O     15.30280205      8.95186875    -17.87400220
  H     16.37652185      7.62198069    -17.99350947
  H     19.76335425      8.81170263    -11.40822719
  O     20.19857861      7.12637330    -10.96846489
  H     17.65631114      9.08155720    -11.66101551
  H     19.64863397      9.64005785    -12.71471938
  O     19.40849624     11.01906620    -18.31250438
  H     16.16712933      9.50665731    -11.51584506
  H     21.88887800     12.79639851    -13.83308786
  O     17.44521784     10.14970403    -15.13932225
  H     16.53424173      7.33166371    -14.52425436
  H     20.42227918     12.53666282    -13.40806602
  O     16.71419616     11.36571851    -17.56880855
  H     16.20616230      8.18811810    -13.24895085
  H     15.72565332     11.61146314    -12.33092613
  O     20.08551308      9.84884271    -14.48004641
  H     21.62364735      4.78935869    -13.18149665
  H     14.98733329     11.70980399    -10.98766239
  O     17.70384971      6.27637457    -15.38284123
  H     20.11873805      5.15199642    -13.18373792
  H     20.33809566      8.17058730    -14.98636853
  O     19.36382214      9.60624211    -11.79124694
  H     18.03577574      5.13870832    -13.93064120
  H     20.69984665      6.69228894    -14.65772232
  O     21.04861780     12.47954525    -14.15264719
  H     17.99354798      5.17208249    -12.38111121
  H     13.21286805      9.43489358    -15.01350309
  O     15.28804648     11.08499611    -11.64353218
  H     15.68006387      9.83998623    -17.88593777
  H     14.44881267      8.52470147    -15.00851100
  O     20.31735325      7.26519734    -15.33282487
  H     14.66279337      8.93536901    -17.14832603
  H     16.68856044     13.01004961    -14.34433102
  O     13.74369244      8.87616784    -15.57585528
  H     20.60129771      6.62213237    -11.68598219
  H     17.00830857     11.53466808    -14.09090750
  O     16.75584096     12.35552093    -13.64031796
  H     19.34029351      6.71436018    -10.81018325
  H     18.65389097      7.86152221    -17.96778142
  O     19.46242404      8.36401382    -17.80876996
  H     19.81629612     11.13172548    -19.16756389
  H     19.89198869      7.94454018    -17.05324047
          69
 Energy    -248.65855314851635     
  O     -4.41592178      1.27141275      1.62859879
  H     -4.86444736      2.10268727      1.75953905
  H     -1.10297190     -3.49871101     -1.29064732
  O     -2.08112567     -2.34495567      7.44744412
  H     -4.29265305      0.87820798      2.51017292
  H     -1.95085458     -4.73639412      0.46315630
  O     -1.15064297      0.19282647      3.89002253
  H     -1.71327467     -2.18501449      8.31281261
  H     -1.99889342     -5.84068195     -0.61987117
  O     -3.88343486     -0.01084938      3.96714270
  H     -1.37266234     -2.16246139      6.80652467
  H     -1.50782925     -0.91092925      1.20036135
  O      2.05341384     -2.42305193      4.11943967
  H     -1.20504685     -0.53322280      3.24604377
  H     -1.65420776     -2.39235401      1.71467054
  O     -3.04061021     -4.64134558      6.06400777
  H     -0.61995027      0.86123016      3.43776549
  H     -3.34174925     -3.55620482      2.21700255
  O     -0.24746542     -1.87225381      5.47424414
  H     -2.93035627      0.15072122      4.02026007
  H     -2.00948277     -4.18510907      2.72940091
  O      1.53405900     -5.12676949      3.27855706
  H     -4.16682008     -0.33723463      4.83342671
  H      1.81788894     -1.46023121      0.80135688
  O     -5.45218329     -3.78420611      5.18682128
  H      2.02750390     -1.91266550      3.29835019
  H      0.62511154     -1.34139169      1.75413606
  O     -1.97870646      0.63804436      0.29932576
  H      2.01671390     -3.34937942      3.85364346
  H     -5.04707019     -2.98085966      3.57212695
  O      1.16234866     -4.79108193      0.62704976
  H     -2.33936615     -4.71480924      5.40337966
  H     -4.33783216     -1.65876605      3.19563205
  O     -0.80407406     -2.65011930     -1.64211651
  H     -2.73825839     -3.95959444      6.67792483
  H      0.86302123     -2.41375549     -1.16538951
  O     -1.51555637     -5.06720666     -0.34198042
  H      0.64486942     -2.03992647      5.13418775
  H      2.34335411     -2.33040390     -1.60360748
  O     -1.16452008     -1.57129163      1.81801516
  H     -0.55203497     -1.05921823      5.04838358
  H      0.92526411      0.75127947      1.80883416
  O     -2.53898067     -4.01547407      1.93573491
  H      2.10195456     -5.88002281      3.41559562
  H     -0.37474471      1.35527066      1.25699075
  O      1.56184650     -1.10781299      1.66155176
  H      1.43610792     -5.01930953      2.31538028
  H     -3.59611398     -0.82222381     -2.49191638
  O     -4.65690140     -2.49673495      2.83300160
  H     -6.14953572     -4.36023574      5.48735158
  H     -3.80852632     -1.18120425     -1.00354832
  O      1.78070526     -2.41352891     -0.83836480
  H     -4.61227728     -4.17580861      5.48842436
  H     -4.94867128     -2.10084653      6.02114566
  O      0.31144969      1.48908784      1.92263027
  H     -2.27929073      0.21207124     -0.51304626
  H     -3.70130706     -1.57860262      6.75791475
  O     -3.13020925     -1.01881541     -1.68307320
  H     -2.77275885      0.96020555      0.74665911
  H     -0.13282705     -4.68806991      3.92653266
  O     -4.50041299     -1.29247737      6.29783212
  H      0.28871069     -4.98345401      0.26633872
  H     -0.77373029     -3.43882312      4.57969720
  O     -0.97741880     -4.29913174      4.18783162
  H      1.48147348     -4.01370937      0.15306141
  H     -4.92072168     -0.31531705      0.69309679
  O     -4.94823632     -1.20934628      0.32785588
  H     -1.58784326     -2.09187929     -1.69820591
  H     -4.97270961     -1.79261736      1.09631225
          69
 Energy    -248.65848315111788     
  O     11.18025807      9.88574015    -11.71729997
  H     11.66638820     10.31339392    -12.44007795
  H     16.52521824      5.69569515    -16.65741551
  O     14.21705874      6.81563871    -15.01139020
  H     10.49062318     10.49149779    -11.45608218
  H     17.98564806      6.31361927    -14.96826132
  O     16.83108454     11.68689664    -10.93871259
  H     14.63214559      6.28818849    -15.70334437
  H     18.18084385      7.14078224    -16.26861454
  O     18.21669333      8.86661319    -17.07610538
  H     14.85894510      7.48465819    -14.72916044
  H     14.24119364     11.31993968    -16.30685356
  O     12.10002214      8.53590384    -15.32175083
  H     16.05738748     11.22166441    -11.30236416
  H     14.42373791     12.84934247    -16.13735828
  O     15.74291294      7.23293010     -9.61962503
  H     16.50214095     12.44800391    -10.46808656
  H     16.34788103      9.32728597    -14.55594519
  O     13.42930717      6.22794935    -12.42477835
  H     17.86709503      9.59377146    -16.53374899
  H     15.60039107      9.15516037    -13.21217084
  O     14.77835941     10.23156093    -11.98288839
  H     18.92761095      9.23206963    -17.59705569
  H     18.86266571      7.80290339    -12.51710013
  O     15.58098687      8.21904938    -18.04783702
  H     12.84564904      7.91712189    -15.33633480
  H     20.31459592      8.17733946    -12.14589746
  O     15.92056262      5.23931385    -11.40174181
  H     11.46536116      8.14202674    -14.70804661
  H     10.80087430      8.15515600    -12.56681537
  O     17.09073236     10.73896979    -15.45025273
  H     16.43318066      7.91131823     -9.66450965
  H     11.55296148      6.83619197    -12.82334393
  O     15.64162704      5.52815895    -17.03273817
  H     14.89570288      7.67964808     -9.72814209
  H     17.99933158     11.39475384    -12.38584219
  O     18.00481282      6.25272395    -15.93169724
  H     13.64664888      6.37805124    -13.35661937
  H     18.88050562     10.22540173    -12.86265235
  O     14.55597460     12.01470249    -15.69523890
  H     14.18892357      5.75746289    -12.06084982
  H     17.03163300      7.38230289    -13.42826412
  O     15.95600343      8.67065904    -13.96766467
  H     14.10955509     10.49797258    -12.62793016
  H     17.11474043      6.08865902    -12.58014583
  O     19.42460688      8.51968105    -12.17952015
  H     14.36373615      9.57249818    -11.40876045
  H     18.36907494      8.90956534    -10.62655791
  O     10.82123674      7.37974314    -13.14014548
  H     16.49077101      8.45745942    -17.83557935
  H     17.46923384     10.05607372    -10.14816506
  O     18.48705321     11.05930098    -13.14849023
  H     15.50727873      7.28146821    -17.83560025
  H     14.29180234      9.38296111    -17.56312089
  O     17.63141549      6.67206104    -13.14877510
  H     15.90023544      5.92418560    -10.70650352
  H     12.97248454      9.49681921    -16.75078312
  O     17.71641222      9.14424790     -9.95628945
  H     16.05337809      4.40425213    -10.96108876
  H     13.31805322      7.60117776    -11.24032508
  O     13.64710127     10.01259626    -17.20733807
  H     16.29800155     11.28514561    -15.49910557
  H     12.50651600      8.84585232    -10.79447117
  O     13.31331116      8.34705584    -10.61995526
  H     17.60110583     10.97444214    -14.65774773
  H     13.32395194     11.34078992    -14.41249192
  O     12.79388529     10.77625651    -13.83708141
  H     15.68088033      4.68468636    -17.47417762
  H     12.55813945      9.99713888    -14.36503170
          69
 Energy    -248.65819916891843     
  O     11.16777564     10.03588687    -11.92575519
  H     10.51767470     10.72666929    -11.81916646
  H     12.13161267      2.85385369    -12.04461325
  O     10.97824607      5.63510504    -10.17635842
  H     10.70384277      9.19590716    -11.78380718
  H     15.37220981      7.24907481    -14.14008959
  O     17.03111386      5.34726278    -12.20627147
  H     11.27776716      4.77130016    -10.48534537
  H     16.13031977      5.98285940    -13.62660129
  O     14.36123198      4.62545055    -16.11551570
  H     11.78749050      6.10619644     -9.92881104
  H     12.55823175      6.04986728    -13.15732746
  O     15.00686340      3.16906561    -10.13245201
  H     17.00831861      4.38951187    -12.32920327
  H     14.09702202      5.84870309    -13.21061669
  O     16.23688777     10.36332704    -10.32292853
  H     16.59749914      5.52134149    -11.35895664
  H     18.24993707      7.83182603    -10.85098751
  O     15.04536427      8.93756873    -13.61931250
  H     14.71126370      4.76033094    -16.99255796
  H     18.13400885      6.87141701    -12.04493745
  O     11.61161840      4.29721447    -15.35568048
  H     14.80401450      5.26890743    -15.53639745
  H     13.39291883      6.46239121    -11.05043339
  O     17.38146769      7.95236315     -9.16586137
  H     14.09015132      3.16553386    -10.43732579
  H     13.55753451      7.84536309    -10.39570998
  O     14.62554051      2.42953405    -14.30665127
  H     15.53421825      2.85627328    -10.87717539
  H     15.89180066      2.50671781    -13.13659906
  O     11.83325735      2.10492545    -13.76672111
  H     16.60239429      9.60428531     -9.85067002
  H     17.16073825      1.83149917    -12.56538141
  O     12.43050758      3.45662169    -11.35405749
  H     16.71319083     10.40104881    -11.16189125
  H     15.62561077      4.79242392     -9.67272414
  O     15.50942133      6.30386592    -14.29614438
  H     15.89607823      9.38165346    -13.51526264
  H     14.98994097      6.19660161     -9.75165357
  O     13.31788299      5.71862194    -12.66006347
  H     14.60491525      9.00542187    -12.75909907
  H     18.23400105     10.51815979    -13.29888912
  O     18.47576863      7.73645689    -11.78545078
  H     12.49836797      4.45168255    -15.70482322
  H     17.92919476      9.19334347    -12.55904411
  O     13.43476118      6.90885847    -10.18919625
  H     11.31668068      5.14364565    -14.99478735
  H      8.85416697      7.48136299    -11.56668310
  O     16.59431354      2.59212806    -12.46740800
  H     16.85366288      7.14220159     -9.26748446
  H     10.19431254      6.86571545    -11.11345976
  O     15.83931612      5.73719859     -9.67190751
  H     17.79524752      7.89826084     -8.30767204
  H     14.53855064      9.93977370    -10.78107782
  O     17.53164071     10.01874440    -12.89167791
  H     13.71234040      2.21469047    -14.08210172
  H     13.01422124      9.90468337    -11.26786353
  O      9.79940848      7.56183039    -11.66907614
  H     14.57811070      3.11054471    -14.98830386
  H     13.29825265      9.17023026    -14.34408958
  O     13.82724038      9.40238424    -11.15932570
  H     11.25795423      1.41143315    -14.07774081
  H     11.97789453      9.61190308    -13.68248249
  O     12.33983925      9.17779176    -14.46415312
  H     11.67005911      2.87969284    -14.33490457
  H     11.54431363      7.57681223    -14.34829421
  O     11.13675463      6.74521666    -14.06036380
  H     12.80707643      4.21268701    -11.83183068
  H     10.56286007      6.96332391    -13.31741212
          69
 Ord_Energy   -248.658005    
 O   -2.00808811       2.62116861       4.96819019    
 H   -1.38607705       3.18894696       4.49411917    
 H   -2.86261630       2.74487972       4.53906155    
 O   -1.57745457     -0.889319181     -0.982575774    
 H   -1.30124319      -1.54356217     -0.326324612    
 H   -2.53815699     -0.806495547     -0.938016951    
 O   -2.26311898      -1.36185718       3.02130866    
 H   -1.83471429     -0.934956074       3.77434516    
 H   -2.91623402     -0.729160786       2.69778991    
 O  -0.668293178      -2.45915890       1.12393093    
 H   -1.23450577      -2.09943676       1.83045673    
 H  -0.595652878      -3.39694953       1.28022170    
 O   -2.21141386       7.32814837       1.14717245    
 H   -1.42959940       7.11352682      0.609237850    
 H   -2.39524174       8.24964714      0.990277350    
 O    3.74451000E-03   6.54874372     -0.248195544    
 H   0.630821228       6.17563391      0.383879304    
 H   -7.42938966E-02   5.89948130     -0.958055794    
 O   -2.47340798       3.60227871     -0.232422337    
 H   -2.00801396       2.81504989       9.35083702E-02
 H   -2.65028667       4.14839745      0.540772319    
 O   -4.35731983       3.06986356       3.36520600    
 H   -3.84195232       3.77673244       2.93670821    
 H   -5.15938520       3.47298956       3.68748283    
 O   0.155103520      0.335385859      -2.77538919    
 H  -0.490314633     -0.165276065      -2.25664449    
 H  -0.334242523       1.04441786      -3.20817256    
 O    2.27285933      0.571403801      -1.13492703    
 H    1.53935933      0.487195522      -1.77030849    
 H    3.07723975      0.420263797      -1.62470591    
 O   0.480522394       1.23029363       2.83823037    
 H    8.53619128E-02  0.783915997       3.59658790    
 H    1.02130425      0.577288389       2.36786962    
 O   -1.35270619       1.32859182      0.742366016    
 H  -0.656686008       1.27061665       1.40827370    
 H   -1.25027812      0.602849424      0.115306482    
 O   -2.69253683       4.88904524       2.23953438    
 H   -1.81981421       4.58542681       2.52925134    
 H   -2.60127020       5.80483675       1.93769312    
 O    1.72247636       5.15946913       1.57942212    
 H    2.61834526       5.41587734       1.78024435    
 H    1.77617013       4.42774868      0.935410559    
 O    1.62015033     -0.686973929       1.30900705    
 H   0.929672182      -1.34530127       1.17061329    
 H    1.85971797     -0.330304176      0.443199754    
 O   -1.42188263       2.43646884      -3.85951710    
 H   -2.23427439       2.27298474      -3.34775758    
 H   -1.69280279       2.58192682      -4.76209641    
 O  -0.240747973       3.89819264       3.12724209    
 H    6.44481108E-02   2.98734283       3.00249290    
 H   0.426465303       4.45126486       2.70187879    
 O  -0.953265727      0.133149341       5.02850485    
 H   -1.37997627       1.00692201       5.08935642    
 H  -0.621252418      -7.25978464E-02   5.89821100    
 O   -3.79060698      0.739396214       1.86803830    
 H   -2.91268325      0.983789206       1.53282893    
 H   -4.10081339       1.48916030       2.38866210    
 O   -3.58965087       2.05904722      -2.25217700    
 H   -3.91157269       1.27075934      -1.80380476    
 H   -3.35347581       2.68435979      -1.55073798    
 O   -4.32327509     -0.258253813     -0.646523178    
 H   -5.13956547     -0.748773277     -0.702660084    
 H   -4.26721144       8.82119015E-02  0.259665608    
 O  -0.392898142       4.26362371      -1.91354823    
 H   -1.13730657       4.12686205      -1.30664492    
 H  -0.609588087       3.74998116      -2.69888616    
 O    1.68633461       3.24917436     -0.302962631    
 H    1.91583860       2.34362888     -0.533694267    
 H    1.00983751       3.53464675     -0.932269096    
          69
 Energy    -248.65793035849720     
  O     12.16257402     10.44932824    -17.17311607
  H     12.88031149     10.26680828    -17.79251146
  H     13.78420733      6.66090666    -14.83651261
  O     18.28705281      7.84098635    -13.58969439
  H     12.54391452     10.99903577    -16.47763042
  H     19.31805891      9.68240496    -14.07579841
  O     18.04015965      9.65312589    -11.34747940
  H     17.84829988      6.99485043    -13.44758686
  H     19.05994528     10.49570040    -12.82921263
  O     17.48582672     12.35306115    -15.01356556
  H     18.15726120      8.37288272    -12.79111394
  H     14.98713649     11.12063447    -16.09872842
  O     16.54963724      5.46001494    -13.45797239
  H     17.38930901     10.36509651    -11.43342507
  H     15.37942767     10.45000449    -17.44195308
  O     14.52502803     10.10433008     -9.57828631
  H     17.75607662      9.14898376    -10.57639607
  H     15.20082581      8.32856428    -12.35631601
  O     15.36802766      6.79703014    -11.31078980
  H     17.05502795     11.84388053    -15.71170509
  H     15.49764759      8.89451537    -13.78296096
  O     12.54054883      9.96342571    -13.13797983
  H     18.16218706     11.78534548    -14.62008587
  H     11.37394060      8.91182610    -16.89319596
  O     13.57877746      7.11288615    -17.79469648
  H     16.82764025      4.56281901    -13.62521822
  H     10.17502399      7.96863891    -17.15578297
  O     16.64907601      8.16770829     -9.34018485
  H     15.85136940      5.65931219    -14.10490887
  H     12.38430729      6.85154919    -12.46003106
  O     16.27334308      8.46036188    -15.35171244
  H     14.94713264     10.71891023    -10.19429755
  H     12.36200676      7.60796761    -11.11286136
  O     14.61067780      6.33054819    -15.21517610
  H     15.21262163      9.47324732     -9.33759542
  H     16.20939711     13.06717253    -14.12493245
  O     19.28971527     10.59122566    -13.76230159
  H     15.76555810      6.21553679    -11.96989392
  H     15.46902217     14.31488520    -13.58190588
  O     15.74181405     10.82624620    -16.62967855
  H     14.40464186      6.68045830    -11.33613792
  H     15.59510168     10.60833490    -12.16292794
  O     15.08821578      9.09426647    -12.93229023
  H     12.19069150      9.91441865    -12.24074339
  H     15.71981216     12.15035976    -12.23993672
  O     11.05482553      7.99690273    -16.78987509
  H     13.46020972      9.65391096    -13.06980487
  H     14.52643948      9.49803487    -19.67052937
  O     12.66414701      6.79476323    -11.53756364
  H     12.66527682      7.28926405    -17.53438490
  H     14.18618410      8.64068238    -18.42890191
  O     15.41651500     13.36484320    -13.63957215
  H     13.98348186      6.67379862    -17.03802702
  H     12.91717189      9.64010717    -10.07707314
  O     15.87725524     11.39328648    -11.66560715
  H     16.19918333      7.60279727     -9.99297728
  H     11.40458822      9.60645051     -9.75999367
  O     14.40086123      9.54249629    -18.72639743
  H     16.88668767      7.60663078     -8.60649393
  H     14.09639400     12.36808731    -14.56015854
  O     12.04707343      9.37417163    -10.42495792
  H     16.23757545      9.30327355    -15.82067684
  H     13.12893494     11.17195085    -14.37300377
  O     13.58246599     11.70655742    -15.04030956
  H     17.11841321      8.36356959    -14.89161978
  H     11.68709733      7.50408509    -15.10544755
  O     12.18019439      7.42968591    -14.27914575
  H     15.18358254      7.10180834    -15.36549134
  H     12.23964120      8.33113420    -13.93208135
          69
 Energy    -248.65782264149595     
  O     12.45213105      5.27440516    -14.68682677
  H     12.55213726      6.13342204    -15.13618524
  H     14.25903821     12.50083001    -12.45683824
  O     19.39123127     10.07705882    -13.38280474
  H     11.85058173      4.75482713    -15.21278505
  H     17.15620866     11.22086869    -11.53138501
  O     17.84825152      7.99227440    -10.21972626
  H     20.12111565     10.66281287    -13.19773228
  H     16.41453798     11.95469901    -12.70599187
  O     14.40555932     10.43725986     -9.11440856
  H     18.58854590     10.56634427    -13.13936445
  H     14.76201674      7.12372990    -10.27381794
  O     14.03882205     11.04963241    -15.06957900
  H     18.08058877      7.90825224    -11.15300261
  H     16.08214825      7.91463204     -9.99049912
  O     16.87625646      3.42900120    -12.32483682
  H     18.04427221      7.13276907     -9.81652647
  H     15.95684750      9.81940741    -12.55605962
  O     15.17880110      9.06047806    -16.55580063
  H     14.04499670     10.43210784     -8.23100891
  H     15.30521314      8.70292160    -11.67065139
  O     14.23846950      5.57596898    -10.96712875
  H     14.56339678      9.50816974     -9.35795289
  H     12.65277458      8.31952559    -14.88251914
  O     13.21045798     11.54525583    -11.45216362
  H     14.38517368     11.76178507    -14.51933162
  H     13.56437228      8.12314123    -16.10475995
  O     19.27840797      4.96244082    -12.16025056
  H     13.38475127     10.59811385    -14.52270063
  H     18.68630679      5.13946011    -10.33458248
  O     17.20612956     10.75528903     -9.83566665
  H     17.72260201      3.89104844    -12.37068210
  H     17.45988411      4.82162451     -9.46274458
  O     14.87784744     12.92684465    -13.07806192
  H     16.26211537      3.92283690    -12.88578878
  H     15.94300850      7.97193958    -13.81155696
  O     17.06658534     11.27557429    -12.49726261
  H     14.84604995      9.83317207    -16.06525791
  H     16.04988583      7.88584262    -15.34325933
  O     15.11573368      7.98311053    -10.00882711
  H     15.41987427      9.37180961    -17.42422261
  H     17.85524887      7.40265803    -13.57333896
  O     15.37959459      9.04514239    -12.57005690
  H     14.69325286      4.90284364    -10.44574667
  H     18.99313991      8.35715258    -13.13056509
  O     12.78375787      7.76842647    -15.66395980
  H     14.53377740      5.45209294    -11.88111691
  H     16.27296230      3.47685254    -10.69353327
  O     18.24421973      5.38086619     -9.51016944
  H     12.83650683     10.79383967    -11.92696314
  H     15.81131865      2.81987557     -9.36916485
  O     16.29098855      7.42229662    -14.53355312
  H     13.57389757     11.19969016    -10.62679457
  H     15.49269422      5.87556484    -14.01231344
  O     18.58897555      7.49579475    -12.95100260
  H     20.16431125      4.74972630    -12.44290765
  H     14.17454528      5.05088771    -14.03310587
  O     15.93554034      3.66254341     -9.79738631
  H     19.09601815      5.86497735    -12.47168533
  H     12.62535197      6.38288239    -11.65431912
  O     15.04247618      5.11726507    -13.61528999
  H     16.31251798     10.73633827     -9.47363386
  H     11.99202002      6.21627361    -13.03760233
  O     12.00168888      6.79468210    -12.26514012
  H     17.53153193      9.84454293     -9.82707722
  H     12.33489082      8.48995103    -12.80435498
  O     12.72142355      9.28693302    -13.19782569
  H     14.69384130     13.86187253    -13.05316810
  H     13.67640842      9.23002023    -13.02906801
          69
 Energy    -248.65719852185521     
  O     19.28504673     10.06961660     -7.40900281
  H     19.45160976     10.77721285     -6.79182765
  H     16.66186367      9.50227417     -9.32237874
  O     17.73926818      4.54677006    -13.22387197
  H     20.02741218     10.06508705     -8.04076082
  H     21.42878263      8.97987480     -9.35482599
  O     18.54946205      7.22382575    -13.26519766
  H     16.90636012      4.65178419    -12.73037833
  H     21.15520142     10.25241954    -10.17203885
  O     22.28060542      5.82244103    -11.89398831
  H     17.58239660      3.87981569    -13.88708813
  H     16.37051435      9.71888318    -14.46866576
  O     15.45392561      5.05266124    -11.89108201
  H     18.24282797      6.31412142    -13.37061858
  H     17.17988186      9.85958352    -13.15425226
  O     21.18016160      8.13075416    -13.15020227
  H     17.84707445      7.82664653    -13.53843145
  H     19.28471677      4.32148248    -12.09923461
  O     21.07144102      5.85062099     -7.25824812
  H     23.01469420      5.26743794    -12.14027207
  H     19.81913833      4.20902444    -10.64593778
  O     14.96055916      4.71590620     -9.18970449
  H     21.49908683      5.24152732    -11.82327702
  H     13.30308094      7.02858088    -11.81110604
  O     21.33331231      7.15847283     -9.63644080
  H     15.33307460      6.00976613    -11.94789781
  H     13.04670525      5.52928686    -11.80344488
  O     18.71404630      7.55036621    -10.48994463
  H     15.29485337      4.81411279    -10.96636377
  H     14.46038910      7.88315553     -8.94680569
  O     18.74503363      7.35995817     -6.61358622
  H     21.65999729      7.37386170    -12.79463087
  H     15.96021741      7.52529520     -8.89325554
  O     17.49187259      9.93612413     -9.56083918
  H     20.28138806      7.81320504    -13.31576872
  H     15.17068785      8.09127177    -11.01770730
  O     21.23276924      9.92287179     -9.26859868
  H     21.91393993      5.67488976     -6.84781275
  H     15.49259171      8.38721751    -12.52085781
  O     16.64275506      9.24468999    -13.68797477
  H     21.25368475      6.32968163     -8.08549570
  H     21.09555419      9.70667026    -12.43410321
  O     20.08873173      4.31312221    -11.57014777
  H     15.77053429      5.12903623     -8.85989133
  H     21.56939509     11.17706263    -12.48763697
  O     12.64367351      6.36462765    -11.55588998
  H     14.24275274      5.30704552     -8.93627378
  H     17.67612826      6.58078658     -7.77741723
  O     15.34099631      8.22357317     -9.14880224
  H     21.79974591      6.72452453    -10.36102775
  H     17.76107749      6.56306218     -9.32859530
  O     14.96149251      7.84399635    -11.92783244
  H     20.41305768      7.26119385     -9.92540046
  H     12.70565016      6.64134549     -9.79145071
  O     20.98214434     10.58400917    -12.02585096
  H     18.65914970      7.43463146    -11.44670521
  H     12.11389304      6.79612337     -8.37109880
  O     17.25229988      6.22611113     -8.57491738
  H     18.37588502      8.42818471    -10.27148428
  H     19.11553807     10.78678262    -12.10723482
  O     12.93361844      6.79226261     -8.85800472
  H     19.57468486      6.87008693     -6.68516481
  H     17.87896716     10.65043429    -11.18847327
  O     18.15083695     10.79614906    -12.10563339
  H     18.95044122      8.28167316     -6.81225412
  H     19.96319621      4.60668516     -8.27061534
  O     19.33312773      4.21811336     -8.88921460
  H     18.01264986     10.04937276     -8.75537552
  H     18.50834931      4.68847837     -8.72844819
          69
 Energy    -248.65711254455601     
  O     11.51673655     10.76284985    -14.57897002
  H     12.22527465     10.48974042    -15.18012391
  H     19.10795478      8.63222839    -14.27319042
  O     16.27826295      7.47009634    -13.71657776
  H     11.80082206     11.60530546    -14.20893146
  H     14.86435591     12.95017466    -16.04860851
  O     17.81864646     10.03922874    -10.43801868
  H     15.46294603      7.06188776    -13.40012161
  H     15.68808695     13.08592827    -14.75869688
  O     17.12282167     12.08270674    -14.12313643
  H     16.88395098      7.49169523    -12.96011755
  H     14.73010479     10.05317920    -14.59244308
  O     13.58670782      7.36563535    -16.78894118
  H     18.26655268     10.65441172    -11.03054017
  H     15.65211877      9.16048496    -13.71438706
  O     14.43775275      8.35366671     -9.24242554
  H     17.02323786     10.47682637    -10.11355706
  H     10.89498580      9.37100969    -13.78418444
  O     14.07894641      6.51763951    -12.31973471
  H     16.51625092     11.34465598    -13.95341204
  H      9.66811567      8.54605337    -13.32343919
  O     13.86441317     11.21856950    -11.80616513
  H     17.87593498     11.96912792    -13.53205053
  H     17.31158524      6.96066355    -10.95977994
  O     17.48022284     10.85346866    -16.62827530
  H     13.12599155      7.02536894    -16.00224449
  H     17.85979826      8.40659740    -11.05785451
  O     15.81337793      6.17009213    -10.07895605
  H     13.35770072      6.77502646    -17.50126697
  H     11.66612705      7.18797990    -14.16137009
  O     17.95847635      8.16421974    -15.76415113
  H     13.67978060      8.43112221     -9.83772074
  H     12.90351175      6.35540744    -13.77873521
  O     19.50678747      8.86702743    -13.42723084
  H     14.81736543      9.23841355     -9.19277715
  H     19.43008240     10.51495458    -12.84954975
  O     14.84954804     13.34147883    -15.16786328
  H     14.62871397      6.22075589    -11.58492699
  H     20.14794651     11.79309505    -12.35653509
  O     15.28201566     10.04702263    -13.79711667
  H     13.60132826      7.29868852    -12.00295536
  H     15.15251527     11.79600318     -8.92401747
  O     10.62112608      8.55981564    -13.31765688
  H     13.40779378     11.93895341    -12.25564313
  H     14.80781395     11.20727210    -10.31230230
  O     17.88242382      7.53346772    -11.48464961
  H     14.40940049     10.78255200    -12.48135705
  H     15.25301121     12.12253565    -18.51254371
  O     12.30912210      6.55989169    -14.51206083
  H     17.64837525      9.93144066    -16.40116000
  H     16.02860697     11.46342277    -17.34568203
  O     19.28577048     11.40425573    -12.47750328
  H     17.50965837     11.34270121    -15.79445126
  H     12.97451519      9.61855262    -11.52798106
  O     15.34592458     11.07192724     -9.51392502
  H     15.36659644      6.95025516     -9.70216457
  H     11.84658809      8.64075939    -11.93438766
  O     15.16224257     11.82245244    -17.61279926
  H     15.83200520      5.50745103     -9.39358674
  H     12.31772821     13.99731664    -13.41745689
  O     12.62579640      8.73046250    -11.37127308
  H     17.28260523      7.85533565    -15.13758672
  H     13.47045422     13.23913438    -14.11314067
  O     12.71947108     13.13689218    -13.50054442
  H     18.12028942      7.43958810    -16.36376642
  H     13.70586096      9.09060029    -16.41620637
  O     13.71543395      9.99683103    -16.07406333
  H     19.11873122      8.27799375    -12.76684232
  H     14.14216531     10.57274317    -16.71954741
          69
 Energy    -248.65706763755435     
  O     -8.41918444      0.19443463      5.00428203
  H     -8.60144103      0.44748906      5.91512777
  H     -5.10316326      1.91491069      1.31876207
  O     -5.03481514      1.78494510      5.00406700
  H     -8.06857103      0.99788801      4.58573389
  H    -10.31819265      0.08415965      2.52102255
  O     -7.09919710     -1.02350929      2.77668586
  H     -5.31053644      1.71284888      5.92199693
  H     -9.90541358      0.20783695      4.00386070
  O     -6.24813627      2.13732622      7.67316141
  H     -5.84057664      2.03132873      4.52035766
  H    -11.54124953      3.52867049      7.08768466
  O    -12.53999153      0.22607682      5.46369626
  H     -7.80338140     -0.87647568      2.13447285
  H    -12.15423216      2.32034893      7.80880029
  O     -7.45831424      2.49547108      3.88795557
  H     -7.48648450     -0.81142467      3.63508040
  H    -13.29356999      3.04022447      5.95602711
  O     -8.93832458      1.54230845      7.42703994
  H     -7.19096658      1.90875776      7.62241993
  H    -14.53648595      3.20589209      5.04890858
  O    -11.47764650      0.47065147      7.95648853
  H     -5.89087081      1.63493257      8.40242935
  H     -8.56590370      3.10787482      1.18906695
  O     -7.84285905      5.01991655      5.14124029
  H    -11.95809725      0.11359821      4.70025322
  H     -7.14122052      2.50370020      0.84319854
  O     -5.43838215      5.06130978      2.26339220
  H    -13.05359449      1.02236642      5.28199113
  H     -9.40557410     -0.39456210      0.12291121
  O    -11.22065911      3.05905603      3.62263832
  H     -7.62819501      3.38574077      4.21636740
  H     -8.80730150      0.73292818      0.99870756
  O     -5.30487364      2.65859542      0.72112334
  H     -7.65283743      2.46908767      2.94368580
  H     -9.28840096      4.28362889      5.83412635
  O    -10.64902823      0.32690414      3.39377989
  H     -9.72522947      1.09359302      7.76058672
  H    -10.41402259      3.43323046      5.20758777
  O    -12.37091526      3.19166747      7.45682659
  H     -9.26800388      2.30979192      6.93334412
  H     -6.86634496      5.94761854      2.51609116
  O    -13.65282773      2.84919812      5.07125664
  H    -11.85966930     -0.19089365      8.52699700
  H     -7.63177755      7.29238541      2.42692453
  O     -8.04311795      2.29365984      1.11556507
  H    -11.84172727      0.31265225      7.06643915
  H     -5.59534108     -0.02715127      2.49126436
  O     -9.22686179     -0.14583595      1.02567750
  H     -7.75822999      5.63527174      4.40133872
  H     -4.68876497      0.88549550      3.33809435
  O    -10.01254528      3.68178288      6.05206479
  H     -7.07800313      5.10869617      5.72163116
  H     -4.26464191      3.47413175      4.70386097
  O     -7.69489513      6.40252028      2.76142787
  H     -5.34560283      4.27735829      1.71130985
  H     -4.53712721      4.76197392      5.46496525
  O     -4.87327813      0.61586335      2.43086507
  H     -4.92256148      4.89707300      3.06633839
  H    -10.17092342      4.11066482      2.41108390
  O     -4.15103070      4.43292977      4.64681141
  H    -12.12316368      3.08162928      3.96526160
  H     -9.05515269      5.16876673      2.13163375
  O     -9.55540781      4.44184755      1.74372462
  H    -11.00965941      2.12698986      3.46720221
  H     -5.90812697      3.91940284      7.28527630
  O     -5.76105756      4.84308592      7.02814461
  H     -4.71313876      2.58050709     -0.02217983
  H     -5.63266336      5.33491769      7.83598942
          69
 Energy    -248.65665181477391     
  O      0.80876857     11.81181243      1.68135383
  H      0.47311842     12.42772769      2.34832128
  H      4.08325944      9.33170015      1.45820134
  O      0.71475812     15.32550742     -0.44055956
  H      0.45819229     12.10587374      0.82585394
  H     -0.78117269      9.05667153      0.81787118
  O     -2.42650952     11.91271860     -1.93117194
  H      0.44775282     14.39557387     -0.49400954
  H     -2.01815801      8.18858608      1.12277242
  O     -3.19900358     11.44796593      0.74611390
  H      1.35735919     15.46907692     -1.15126990
  H      3.14369732      8.79912060     -1.79265844
  O      3.90135517     13.07686731     -1.43474974
  H     -2.89071342     11.82899450     -1.08998657
  H      3.94343104      8.47410130     -0.52009479
  O      4.92083628     10.86046343      1.35167272
  H     -2.13733212     11.01862611     -2.17146353
  H     -0.13383750     14.11018170     -3.94014534
  O      5.66416544     10.89931021     -1.42312810
  H     -2.67291735     10.63649596      0.81294815
  H      0.67577031     14.09273914     -5.25617840
  O      0.97971299      9.25896580      0.85220613
  H     -4.03552035     11.26364336      1.16898328
  H      1.20185190      9.33720236     -1.02654213
  O      0.02866441     12.65331992     -0.78261128
  H      3.67062260     13.13895394     -0.49682437
  H      1.49139791     10.17038028     -2.31688139
  O     -1.71232865     14.27939906     -3.21583706
  H      4.59544052     12.40893577     -1.50543255
  H     -0.56060488      9.21812263     -2.27023493
  O      3.22553725     13.11709959      1.28640538
  H      5.31929366     10.91512625      0.47426567
  H     -1.68640674      9.09382061     -1.23485045
  O      3.61997982      8.47747609      1.38583444
  H      4.42877165     11.68334673      1.46881932
  H     -2.18792810     16.79512293     -0.75113824
  O     -1.74923821      9.01929538      0.73703741
  H      6.49305092     10.69843032     -1.84903914
  H     -0.98109822     15.83087510     -0.68229343
  O      4.04250638      8.72094202     -1.44771513
  H      5.10079311     10.11011641     -1.51768666
  H      1.50742590     15.56116567      1.13591981
  O      0.75542455     13.97483919     -4.31328178
  H      0.95262355     10.15216336      1.23299166
  H      2.24388958     16.46130869      2.15514285
  O      1.31988862      9.27598445     -1.98498705
  H      1.83469969      8.88136307      1.09032528
  H     -2.56878921     13.23549246      1.20254607
  O     -1.51214135      9.33659105     -2.15138188
  H      0.66746210     12.36505096     -1.44797338
  H     -2.29200016     14.65987246      0.66457489
  O     -1.93993174     15.87755349     -0.83737292
  H     -0.84524966     12.45882786     -1.14121188
  H      2.58064834     12.27619194     -2.35406992
  O      1.96913001     15.56271188      1.99186333
  H     -2.07724744     13.43626916     -2.91206927
  H      1.45837866     12.51980539     -3.41172976
  O     -2.26836308     14.11485201      1.45865901
  H     -1.86581208     14.89841916     -2.49271038
  H      1.98409029     14.95369921     -3.19874954
  O      1.79356275     11.88746341     -2.76287647
  H      2.99897557     13.99658919      1.60937372
  H      3.13217001     14.64856918     -2.20708023
  O      2.51340087     15.33638962     -2.48728640
  H      2.43650679     12.57743146      1.44150484
  H     -0.88647387     14.05814470      2.65550982
  O     -0.09559455     13.88536984      3.18968723
  H      4.02873924      7.88988520      2.01559431
  H      0.55696717     14.54915606      2.94059718
          69
 Energy    -248.65663869216667     
  O     16.87496440      3.85300720     -9.74344582
  H     16.52650442      4.62173949     -9.27691784
  H     12.45848568      6.61930911    -15.29308379
  O     13.27768546      7.78497147    -12.39534417
  H     16.10741572      3.44056723    -10.16316851
  H     14.79201518      4.90294518    -11.57051344
  O     12.56736441      7.59455572    -16.84864220
  H     12.83667009      8.10973022    -11.60236305
  H     15.75031945      5.76274789    -12.43424694
  O     16.97150349      9.81465054    -11.31852613
  H     13.88685332      7.08194203    -12.11546299
  H     18.10014742      4.41743405    -10.87546761
  O     15.66066210      6.41806882     -9.15521423
  H     13.18891131      8.30871317    -16.61659617
  H     19.55774384      4.42905432    -11.39369682
  O     17.97761797      7.42941697    -10.46570885
  H     11.89371471      7.98269491    -17.39986586
  H     11.75433462      9.33528431     -9.57534022
  O     11.65303153      3.96491217    -12.95860349
  H     17.39960941      8.97120801    -11.08790685
  H     13.25295096      8.96237929     -9.68701026
  O     14.82702458      5.94141802    -17.49390855
  H     17.64488255     10.48739428    -11.25484992
  H     12.57978808      5.39561587     -9.22407036
  O     14.46076217      9.42648108    -16.22923337
  H     15.54742695      6.28300674    -10.11074938
  H     12.62172500      6.93071973     -9.06869897
  O     16.61114047      7.99975662    -17.46386252
  H     14.77869162      6.26161884     -8.78457566
  H     15.85957689      9.61175046    -12.79357368
  O     17.36810975      7.82941781    -14.74219929
  H     17.34155985      7.10646989     -9.81530368
  H     14.55717315      8.85581884    -13.15097560
  O     12.58732864      6.12968162    -14.47163803
  H     18.33976647      6.64203618    -10.88745433
  H     15.59317208      9.54994930    -10.02540223
  O     15.04207877      5.81208092    -11.77865740
  H     11.83465482      4.74059394    -13.50633514
  H     15.26166884      8.31979339     -9.16320509
  O     18.70653143      4.84364758    -11.50685984
  H     12.26347172      3.28373156    -13.26475119
  H     11.20579480      3.43446897     -9.88848122
  O     12.34888285      8.66220708     -9.89502687
  H     14.87318732      5.31717497    -16.75901005
  H     11.74049545      4.02002255    -11.21552340
  O     12.97932232      6.10868401     -8.71112671
  H     13.98842639      6.40936414    -17.39235063
  H     17.22896817      6.25065834    -14.05742032
  O     15.30015014      9.34287930    -13.53318452
  H     14.72483265      9.53495577    -15.30602849
  H     17.68920093      5.14762510    -13.03891203
  O     14.95179578      9.20447612     -9.39323644
  H     15.23980284      9.09579769    -16.69436240
  H     13.63220141      3.29775711    -10.68563925
  O     11.92357854      3.93988176    -10.26229929
  H     16.03502441      7.21717678    -17.52594389
  H     14.34054246      2.73231962    -11.94830636
  O     17.00032876      5.39070344    -13.66801202
  H     17.07869624      8.06403936    -18.29188069
  H     14.23876780      2.99304559    -14.25280024
  O     14.49731410      3.14071154    -11.08699413
  H     16.67674055      8.36755718    -14.33440335
  H     13.93774303      1.47672746    -14.21299330
  O     13.87011861      2.27968900    -13.70335431
  H     17.23267601      7.89825515    -15.69536503
  H     15.60114695      4.76397185    -14.61096336
  O     14.78377373      4.47568096    -15.04342446
  H     12.74698293      6.77997108    -13.77224681
  H     14.07590739      5.08917071    -14.79471308
          69
 Energy    -248.65659721930388     
  O     -0.48553655      7.87292718      4.02175359
  H     -0.66958738      8.80522689      3.85903290
  H      2.32084304      5.49109490     -1.82233182
  O      3.66801730      8.83521603      3.77126468
  H     -0.73171727      7.40522550      3.21171456
  H      4.25755566      9.45624538     -1.02066659
  O      1.34858328      8.29058377      0.89750290
  H      3.03638291      9.49363634      3.44688266
  H      4.81114798      9.56578526      0.41531324
  O     -0.89569729     10.62746707      3.32511547
  H      3.14099874      8.16594146      4.22280659
  H      3.04011723      5.52689632      2.42506917
  O     -0.86852801      6.76793295      1.48292573
  H      1.48136068      9.03877023      1.49224147
  H      2.40005176      5.55190078      3.82560808
  O      3.86679433      8.18269888     -2.40601658
  H      2.09871547      7.69094097      1.00869269
  H      3.18710550     12.88968854      0.42461879
  O      0.25142558     11.46660456     -0.88169820
  H     -1.24828452     10.59311192      2.41579299
  H      3.32127131     11.37267349      0.15818267
  O      2.12130691      2.85262743      1.60617629
  H     -1.42889977     11.25657549      3.80246356
  H      4.27328916      7.12651276      1.17321766
  O      1.79158954     10.49065214      2.59563198
  H     -0.10249453      7.32181900      1.26669245
  H      3.49821172      6.23975728      0.12515943
  O      3.92040470      3.19094278     -0.51522197
  H     -0.64688174      5.86501495      1.21333371
  H     -2.09154778      7.50641019      0.46103852
  O      1.20771894      8.98684512     -1.77107110
  H      3.71759472      7.25308654     -2.16688020
  H     -3.55119633      7.67857592     -0.02034230
  O      3.25274622      5.62102329     -1.59666478
  H      4.30916737      8.17872330     -3.25165209
  H     -1.10481819     10.90385597      0.17254551
  O      4.40004034     10.07435519     -0.29496277
  H      1.04672431     11.79404267     -0.44615125
  H     -2.10219862      9.72998516      0.38421169
  O      2.72437300      4.95640989      3.14152193
  H      0.53765487     10.67545228     -1.35804085
  H      1.02291465      7.28642476      4.64516621
  O      2.71268989     12.06417180      0.47510050
  H      1.85052303      2.10120133      2.12673635
  H      1.78695690      6.85276877      5.91447835
  O      3.50129386      6.56324986      1.03410826
  H      2.33006241      3.57055481      2.23317071
  H      4.83980931      8.59089617      2.54771026
  O     -2.65906979      7.97978567     -0.17277377
  H      0.88622994     10.66283345      2.88496983
  H      6.31439213      8.37923347      2.12248032
  O     -1.74300843     10.52368406      0.79435380
  H      2.04022665     11.14838555      1.93350185
  H     -1.59268443      7.53637900     -1.68082881
  O      1.87945400      6.95684013      4.97103216
  H      4.69562588      2.67175866     -0.31546138
  H     -0.21996516      7.96761163     -2.24078086
  O      5.42593985      8.43491193      1.78271178
  H      3.29934852      3.03148099      0.21238595
  H      0.32717491      4.49052255     -2.91717844
  O     -0.91441312      7.29776141     -2.32320973
  H      2.08381954      8.79596483     -2.12051870
  H      0.00850393      5.85399728     -2.26092449
  O      0.58229704      5.06873363     -2.20280994
  H      1.23604949      8.76379285     -0.82646955
  H      0.15094515      4.52122723     -0.44034355
  O     -0.07486506      4.34655843      0.48163643
  H      3.58667862      4.75508095     -1.31967163
  H      0.64335497      3.81565548      0.84242307
          69
 Energy    -248.65657461679649     
  O     15.29937123      9.38736050    -11.41133539
  H     15.78583939      9.10434197    -12.20012911
  H      9.82077125      7.98991525     -7.53842228
  O     19.15928478      4.25326897    -10.19719953
  H     14.47838102      8.87447375    -11.44638733
  H     17.64485882      7.56469722     -5.90891898
  O     14.11891619      6.26626469    -13.88306891
  H     19.96472177      3.75488256    -10.30693316
  H     16.72793787      8.77444567     -6.23848384
  O     13.57214332      5.74411775     -9.99872596
  H     19.31471121      4.87995228     -9.46838166
  H     13.14384335      7.06066041    -11.08376718
  O     16.41810024      7.97165956    -13.50180013
  H     14.47327244      5.59829900    -13.27223638
  H     13.23240328      7.39479540    -12.58221716
  O     16.53649696      3.24540104     -9.63764182
  H     13.78049693      5.79187424    -14.63816101
  H     17.59827143      6.71606265    -11.20616635
  O     19.22217137      8.90927136     -8.24982929
  H     12.85521068      5.40384311     -9.44649940
  H     18.26876807      5.35096036    -11.44335738
  O     15.85008047      4.46734024     -7.27216713
  H     14.20851397      6.17642520     -9.41195067
  H     14.63199469      4.96567605    -11.21924149
  O     17.33129996      8.03652510    -10.06969863
  H     17.00034030      7.30868101    -13.10885409
  H     16.05356300      5.11298311    -11.87135703
  O     15.48517586      6.89302591     -8.40664324
  H     15.64662879      7.47522013    -13.80216930
  H     14.72062501      9.69492212     -7.51021163
  O     12.93744717      7.58267602     -5.91718463
  H     16.03057536      3.47981408    -10.42263411
  H     14.22599782      8.67696318     -6.41444940
  O     10.71323961      7.68253659     -7.67305947
  H     17.44880805      3.49911953     -9.82861267
  H     12.17551069      4.84445906     -7.39935209
  O     17.64862217      8.50915625     -6.10388347
  H     18.68253931      8.84202185     -7.44026489
  H     11.22836015      5.89309685     -8.01739403
  O     13.03139485      7.78261578    -11.72337181
  H     19.89158139      9.56678425     -8.08493067
  H     14.73334038     10.29686767     -9.94446255
  O     17.66789877      5.98939805    -11.84484073
  H     15.72638648      5.35323105     -7.65187719
  H     14.35720143     11.59624303     -9.20471158
  O     15.21513205      4.62910267    -11.91765468
  H     16.05851223      3.89206950     -8.02186041
  H     17.17466790      5.13727843     -6.27249388
  O     15.00632939      9.10422797     -6.80407687
  H     16.70596779      8.65836797    -10.46435848
  H     18.10501486      5.15735914     -5.03852947
  O     11.65245592      5.04130390     -8.18619951
  H     17.98224490      8.50621035     -9.53390346
  H     13.33408309      4.08463253     -5.25695653
  O     14.33044768     10.64432163     -9.13220837
  H     16.19995912      7.20067929     -8.97933232
  H     14.28168309      4.54079421     -6.38698921
  O     17.88483161      5.63460719     -5.83487871
  H     15.26408723      7.62439447     -7.81756848
  H     12.10933234      8.76679517    -10.42680875
  O     13.43494890      4.73088207     -5.95182832
  H     13.12239036      6.63962927     -5.83785774
  H     12.62229002      9.76247042     -9.37085982
  O     11.87071469      9.20422042     -9.59860342
  H     12.13236310      7.65119368     -6.44629773
  H     19.53373411      6.97572656     -8.25668617
  O     19.50841752      6.01766552     -8.15730960
  H     11.09515449      8.23538472     -8.37737483
  H     19.02871840      5.85150364     -7.33654350
          69
 Energy    -248.65642860301446     
  O      1.55144557      1.56116889      2.60859467
  H      1.92228272      0.73057834      2.93051427
  H     -4.62536391      0.62663239      5.07236836
  O      0.89800545      2.09015371      0.05015928
  H      0.99753609      1.90504068      3.32035780
  H     -0.91643789      1.86996282      0.44737105
  O      1.14263182     -5.12354032     -1.74887075
  H      1.17644819      1.91366968      0.96867307
  H     -2.40045003      1.37777262      0.24247963
  O     -1.46899774     -2.52382968     -3.89293095
  H      1.34629052      2.88438617     -0.22704591
  H     -0.68632270     -5.17456303     -2.40215336
  O      1.24175118     -2.62780175     -2.85727896
  H      1.26074770     -4.23522242     -2.12964626
  H     -2.00008661     -4.65530761     -1.80143476
  O     -2.47825802      2.90241149      3.27515608
  H      1.86637543     -5.65660947     -2.06728774
  H     -0.41939917     -1.19202051      1.90878692
  O     -1.76213426     -1.22225803     -1.43262551
  H     -1.56481734     -3.42320030     -3.52891630
  H     -1.37342263      0.04254474      1.74698470
  O      0.88091517     -0.48599163     -1.05757499
  H     -1.79124176     -2.55324526     -4.78924804
  H      0.59092573     -4.83704186      0.04334702
  O     -4.65935311     -0.44077822      1.79065716
  H      1.29714707     -1.85295889     -2.28288689
  H      0.59657058     -3.62962549      1.01605733
  O     -0.89888950     -4.09349890      3.48342129
  H      0.41410419     -2.53213996     -3.34359598
  H      0.06813012     -2.89007167      4.45169471
  O     -3.17952394     -2.76078857      2.25582487
  H     -2.26287032      2.55448685      2.39774528
  H     -0.15539200     -1.52220534      5.13580589
  O     -4.03084241      0.74936160      4.33602437
  H     -3.14294830      2.30399175      3.63785303
  H      1.74516623     -1.62370082      1.92380322
  O     -1.74412897      1.65329474      0.89381087
  H     -1.79327235     -1.55104142     -2.34190664
  H      1.21287707     -1.42326839      0.45189803
  O     -1.58781970     -4.92095006     -2.63571097
  H     -2.53438072     -0.66762768     -1.26626092
  H     -0.02276074      3.16299299      5.29987091
  O     -1.23147289     -0.78079678      2.22935849
  H     -0.06336299     -0.68884916     -1.15330488
  H     -0.99888877      2.73206653      4.17730999
  O      0.20007925     -4.50147666      0.85885227
  H      0.95185666      0.43679149     -0.78658777
  H     -1.31245686     -0.36887195      3.95558030
  O      0.52732723     -2.15349773      4.88304911
  H     -4.52629483      0.02971572      2.62145493
  H     -0.94451005      0.76180391      4.94711128
  O      1.13738368     -1.95863151      1.25339473
  H     -4.33009762     -1.33677283      1.94896073
  H      3.34111038     -1.19235068      3.85988435
  O     -0.18856317      2.47955578      4.65613665
  H     -0.49967083     -4.42749761      2.67074924
  H      1.81730232     -1.40681198      4.02967793
  O     -1.43055679     -0.06911802      4.87271685
  H     -1.77653991     -3.78386831      3.23112012
  H     -1.42919194     -4.03422969      0.20977587
  O      2.49553308     -0.97144202      3.47968494
  H     -2.50891178     -2.05881706      2.27553995
  H     -2.07550951     -2.84454807     -0.55073755
  O     -2.25655393     -3.72235288     -0.18771077
  H     -3.04660252     -3.21903518      1.41432993
  H     -4.56365150      0.87490556     -1.06070213
  O     -3.82353421      0.48396599     -0.60472821
  H     -3.17361540      0.38323108      4.60995385
  H     -4.16521359      0.14361701      0.24332056
          69
 Ord_Energy   -248.656403    
 O   -7.19333887      -3.00651479      -1.50149500    
 H   -7.14133549      -3.18211174      -2.44939709    
 H   -7.55757141      -2.11474323      -1.38208294    
 O   -5.70917130     -0.682866693      -4.10344124    
 H   -5.90163136      0.132113323      -3.62030315    
 H   -4.84374714     -0.601851642      -4.52656507    
 O   -3.54725051      -4.74649334      0.341736734    
 H   -3.28505683      -4.57273006     -0.572212994    
 H   -4.50910711      -4.82310486      0.349160612    
 O   -1.00947154      -1.21233547      0.349469751    
 H   -1.68873870      -1.60513318      0.911132634    
 H   -1.32606578     -0.341689169       7.58991987E-02
 O   -1.82382762       3.47117066      -2.40721560    
 H   -1.34704018       3.04491186      -3.14201903    
 H   -1.41776371       4.32311487      -2.27159572    
 O   -5.67350197      -2.25028062       1.99978530    
 H   -4.70939827      -2.29329586       2.02431583    
 H   -5.96940517      -3.07847857       1.60434115    
 O  -0.247551918      -2.61077189      -1.81476343    
 H   0.629955292      -2.97080040      -1.72408164    
 H  -0.454086483      -2.14457726     -0.982769430    
 O   -3.88674808      -3.50591302      -4.78231668    
 H   -4.83615780      -3.59341550      -4.64604282    
 H   -3.47293472      -3.75247240      -3.94350171    
 O   -4.67125940      -1.76321566      -1.68480682    
 H   -5.46852160      -2.24892116      -1.43633091    
 H   -4.88056040      -1.36962497      -2.54214787    
 O   -2.86245751      -2.67192245       1.94557130    
 H   -3.04238343      -3.44535899       1.38055789    
 H   -2.46014977      -3.00638676       2.74421549    
 O   -7.90768719     -0.390918672      -1.10080576    
 H   -7.67164612     -0.176165804     -0.188869804    
 H   -7.50607443      0.297895670      -1.64325941    
 O   -6.83282089      0.118546538       1.49854887    
 H   -7.19443417      0.498212993       2.29422927    
 H   -6.46010733     -0.749398410       1.74078333    
 O   -1.33279920     -0.377855510      -3.12666869    
 H  -0.859778583      -1.15225708      -2.80041289    
 H   -1.64240158      0.107182913      -2.34853530    
 O   -4.65541792      0.582367897     -0.209407553    
 H   -4.62094498     -0.294048488     -0.623572528    
 H   -5.33777905      0.542080879      0.470656008    
 O   -2.05927014       1.11589062     -0.871227562    
 H   -2.98062873       1.03154147     -0.584260285    
 H   -1.96074343       1.99143660      -1.26415086    
 O   -6.77316046      -3.17187953      -4.28260612    
 H   -6.48332500      -2.24140215      -4.28729439    
 H   -7.39573240      -3.26817536      -4.99920225    
 O   -3.15302563     -0.872503757      -5.13621712    
 H   -2.51132679     -0.725162804      -4.42532730    
 H   -3.34342575      -1.82187212      -5.15700483    
 O   -2.80071497      -3.75454760      -2.18370700    
 H   -1.88915765      -3.44817138      -2.09796667    
 H   -3.37329602      -3.00178003      -1.96872246    
 O   -4.26790047       2.91961432      -3.85075903    
 H   -3.90605021       2.56602073      -4.67166281    
 H   -3.50768161       3.18814397      -3.32134223    
 O  -0.735336304       2.04365325      -4.44795799    
 H  -0.746590137       1.16243112      -4.04916430    
 H   -1.39730716       2.01489282      -5.15022612    
 O   -6.12497711       1.47333193      -2.45040584    
 H   -5.57639074       2.08771873      -2.96220541    
 H   -5.62054062       1.27660489      -1.64951706    
 O   -6.40079880      -4.59800005      0.543957353    
 H   -7.03495455      -5.28140831      0.744820416    
 H   -6.76114941      -4.09173489     -0.204675421    
 O   -3.00950432       1.67150807      -6.14000750    
 H   -3.07177973      0.730027735      -5.90526533    
 H   -3.18589568       1.73304343      -7.07529879    
          69
 Energy    -248.65637986841759     
  O     10.31867321     11.83275734     -9.60613292
  H     10.16127097     11.81452284    -10.56401480
  H     16.49800181     10.33338370    -12.77388382
  O     11.36050895      7.95597047    -16.14719615
  H      9.46722764     11.95888462     -9.19301013
  H     15.17765550      6.55257708    -12.56147148
  O     11.98408416      9.49167240     -9.84566608
  H     11.15933327      7.27846145    -16.78662064
  H     14.27473541      7.75132521    -12.93237277
  O     13.16152622      8.53510956    -14.07195455
  H     10.54966607      8.10646756    -15.62837880
  H     13.40129067     15.76954223    -11.37559805
  O     11.54593930     10.82618440    -16.31886154
  H     11.39053453     10.17818197     -9.52420056
  H     13.14872507     14.45840086    -10.59461295
  O     10.97421111      8.89731907    -12.33771984
  H     12.73233531      9.96501139    -10.24923128
  H     14.46181668      7.65913393    -10.37287004
  O     15.72649209      9.39658491     -7.76892483
  H     13.46640672      9.42535038    -14.30217103
  H     13.35460223      8.24924192     -9.47516136
  O     13.99629446     10.92479220    -10.99960226
  H     12.63572281      8.21588980    -14.81636897
  H     16.34348788     12.40865720    -13.40335012
  O     14.57489241     11.91112567     -8.46319656
  H     12.40877082     11.01959967    -15.92955403
  H     17.31602450     11.97283611    -14.52632280
  O     15.99085724     13.54955349    -12.18207572
  H     11.52221238      9.86913033    -16.43822974
  H      9.71883089     11.66656068    -13.22481180
  O     12.68028245     12.58981196    -12.85962236
  H     11.76046544      8.77601277    -12.88658977
  H     10.42914366     10.61683630    -12.34408276
  O     16.36806771      9.81937321    -11.96709683
  H     11.27213244      8.92878417    -11.41857795
  H     16.17871140     12.79177666     -9.14488362
  O     14.91904585      7.42756897    -12.28133509
  H     15.89204974      8.91325576     -6.96344588
  H     17.43333394     12.08861321     -9.65551766
  O     13.46297446     14.82083305    -11.44275008
  H     15.22326765      8.80059858     -8.34966877
  H     13.44816931     11.69227995    -14.15043181
  O     14.22630034      7.83170984     -9.45471153
  H     13.64878624     11.54221275    -11.65314266
  H     14.83848662     11.29523451    -14.69600719
  O     16.53063651     11.70672652    -14.05639168
  H     14.84784240     10.59479108    -11.31305524
  H     10.07770155     11.33030076    -15.50266019
  O     10.14071456     11.54255406    -12.36525034
  H     14.39686299     11.62942122     -9.37436932
  H      8.68923874     12.00681986    -15.58327763
  O     16.95843842     12.93089665     -9.69463976
  H     14.94494433     11.13182937     -8.03266233
  H     17.40779650     10.05227670    -10.43307168
  O     13.89626905     11.10853260    -14.78303583
  H     16.41049243     13.36355219    -11.32682309
  H     17.20343968      9.93843672     -8.91492687
  O      9.25067163     11.48892717    -15.01268066
  H     15.19968084     14.05702888    -11.98130534
  H     13.22469379     13.12059326     -8.75400527
  O     17.81537772     10.26917448     -9.58340024
  H     12.86444353     13.44919374    -12.45810933
  H     11.76764448     13.06591339     -9.26596234
  O     12.53489303     13.64363663     -9.18760844
  H     11.76594520     12.34658861    -12.66853608
  H      9.07298074      9.55959226    -14.71379494
  O      9.26656344      8.62868249    -14.55007349
  H     15.99684429      8.95737644    -12.19209520
  H      9.70230111      8.60055995    -13.68635923
          69
 Energy    -248.65623893505509     
  O     -8.09879936     -3.51310166      4.97377245
  H     -7.51469795     -3.00294880      5.54891842
  H     -4.11713357      0.97843368      2.58551351
  O     -8.80407836     -2.56562775      1.71442954
  H     -8.88724279     -2.98163910      4.81573662
  H     -6.45909582     -1.13483048      2.85963551
  O     -7.08446758     -4.55668715      2.70019164
  H     -8.33095505     -1.81966537      2.12139515
  H     -7.36265047     -0.32623614      3.85379735
  O     -4.79948965      1.16462207      0.87570253
  H     -8.27933459     -3.35402029      1.90215426
  H     -5.83658082     -2.22479341      7.32309953
  O     -7.48238619      0.32576439      5.56227631
  H     -7.03836234     -5.50743189      2.74288018
  H     -5.49173419     -1.84263921      5.86218101
  O     -5.26892185      5.44360663      2.52967148
  H     -7.41931438     -4.24845770      3.56336860
  H     -1.05426050      3.30334750      3.74634186
  O     -9.81199637      1.03974152      0.14682726
  H     -4.85828315      0.33482673      0.38998771
  H     -2.53360789      3.66929227      4.02209534
  O     -4.30425229     -1.51532346      4.64786761
  H     -5.71580685      1.45372517      1.00570829
  H     -8.88010525      1.48320573      4.99986519
  O     -3.62023106      3.71793621      1.21392242
  H     -7.12445644     -0.43077232      6.04085883
  H     -8.82207956      2.79388541      4.19377954
  O    -10.48029094     -2.20682989      3.86694243
  H     -6.79755054      1.01196836      5.56093208
  H    -10.67329375     -0.37867581      3.12399711
  O     -5.42857186     -1.33248885     -0.35184408
  H     -5.27157354      6.29531889      2.10119252
  H    -10.28097810      1.10090789      3.28657527
  O     -3.77463304      0.98056138      3.48979633
  H     -4.70863640      4.85863397      1.98893685
  H     -5.24554724     -2.18457355      1.31361267
  O     -7.25922758     -0.60078373      2.93310534
  H    -10.50674587      1.51326923     -0.30169138
  H     -5.79133829     -3.26975086      2.29910997
  O     -6.22699829     -2.00460604      6.48178176
  H    -10.15931554      0.80096398      1.02689447
  H     -8.69570801     -0.37528091     -0.49866327
  O     -1.94753534      3.12185416      3.46857559
  H     -4.02322205     -0.63534403      4.36516872
  H     -8.46077061     -1.77455811      0.07219129
  O     -9.42439036      2.10489650      4.49856364
  H     -4.47292391     -1.99621969      3.82608810
  H     -4.32676099      4.98508993      4.15591763
  O    -10.63530279      0.45810508      2.65248462
  H     -2.92407305      3.53155678      1.85633901
  H     -4.43094270      3.83613964      5.17334678
  O     -5.23620412     -2.48194368      2.23192378
  H     -3.97326942      2.85856706      0.94932664
  H     -6.21877230      2.80258929      4.53884321
  O     -8.13434889     -1.15388673     -0.59374736
  H    -10.03065991     -2.41731192      3.03116867
  H     -4.99830684      1.83299659      4.55622636
  O     -3.83241265      4.51843106      4.84177004
  H    -11.29908148     -2.69868324      3.86711796
  H     -8.22316524      1.63076621      0.88990854
  O     -5.61763383      2.31515121      5.12301909
  H     -5.07855540     -1.65350884     -1.17906906
  H     -7.41087339      0.89352043      1.97863073
  O     -7.42993220      1.69672468      1.43369880
  H     -6.38882967     -1.22972910     -0.47808942
  H     -7.36396092      3.03236909      2.62726078
  O     -7.29309454      3.66214953      3.36083606
  H     -3.03737947      1.60361495      3.50681565
  H     -6.71045490      4.37145322      3.06390075
          69
 Energy    -248.65609317776963     
  O     13.98167246      3.91513916    -10.49730983
  H     13.75109133      4.59842178     -9.85161456
  H     17.83386742      5.82348846    -14.06469819
  O     12.61439428      4.26777604    -12.93670080
  H     13.47638083      4.08946410    -11.30223356
  H     14.18459743     10.28818600    -12.03311579
  O     16.71377487      3.92642622    -11.14130928
  H     12.72693015      3.33111301    -13.15300194
  H     13.43649582      9.52417431    -10.92951641
  O     19.67369391      7.13323525    -11.47051833
  H     13.32829153      4.74448988    -13.38758162
  H     15.52581983      7.02134553    -10.79348615
  O     12.92248999      7.81353268    -14.55956578
  H     15.78561327      4.01151103    -10.88004960
  H     15.76107630      7.81587118    -12.11265149
  O     13.34751008      1.65731448    -13.33355191
  H     17.24362719      4.48280706    -10.56128418
  H     13.50500486      7.57215911    -11.26392111
  O     13.92819957      1.16698837    -10.55126446
  H     19.24164734      7.98613942    -11.27540909
  H     11.98186785      7.44245841    -11.50768837
  O     18.32842364      9.41157578    -11.01701140
  H     20.58276861      7.32835021    -11.68327830
  H     16.42148407      0.73990811    -14.78954637
  O     16.12394199      9.91123548     -9.28510986
  H     12.16611458      7.48162101    -14.06331529
  H     16.32419114      1.26297734    -13.33650258
  O     14.67785952      5.72542389    -13.98261062
  H     13.56236127      7.08760524    -14.56557718
  H     10.09429600      6.30563948    -12.92287667
  O     16.74417857      8.94240375    -13.18374114
  H     14.20996479      1.59284442    -13.76122501
  H     11.48591882      5.63778465    -12.84928953
  O     18.16130243      6.72716487    -13.97446035
  H     13.47580638      1.33266669    -12.43358905
  H     19.00958737      5.26711999     -8.96582993
  O     14.08875026     10.22314420    -11.07615141
  H     13.41299849      0.79235322     -9.84174188
  H     18.87316644      6.12519947    -10.24616222
  O     15.22466717      7.12295815    -11.70376281
  H     13.92345670      2.13100559    -10.42080478
  H     16.72708086      3.25620612    -14.20690779
  O     12.63658781      7.82117514    -10.90973943
  H     17.69832793      9.66825230    -10.33535779
  H     16.90962911      4.11863192    -12.94101884
  O     16.09007164      1.46150054    -14.26119659
  H     17.81351766      9.38626873    -11.83945131
  H     16.78325369      2.06903388    -11.36441167
  O     11.02432328      6.49385209    -12.82802213
  H     16.01744412     10.57966549     -8.61327234
  H     15.72560634      0.97532275    -11.16796052
  O     18.37222921      5.63515745     -9.57348408
  H     15.41213519     10.05677905     -9.93384804
  H     14.33215311      6.39498007     -8.71072546
  O     16.95347138      4.14512966    -13.90942572
  H     14.87779602      6.19240606    -13.15520936
  H     12.99680709      6.67571003     -9.41863091
  O     16.57182903      1.15421151    -11.59764094
  H     15.44081318      5.16209160    -14.15614170
  H     16.89939917      6.69665188     -9.07794524
  O     13.44703882      6.03275615     -8.85499196
  H     16.00019411      9.32534230    -13.66158027
  H     16.14548659      8.07250996     -9.00782115
  O     16.03177439      7.11237205     -9.01159788
  H     17.14426719      8.21722224    -13.68775168
  H     13.76480203      9.29300853    -14.20432698
  O     14.30802724     10.06925365    -13.98013353
  H     18.70849178      6.73726003    -13.18102017
  H     14.07946156     10.75169754    -14.60556785
          69
 Energy    -248.65586685445072     
  O     17.01628949      8.31973308    -10.18523536
  H     17.64941657      8.62561233     -9.53960912
  H     11.96197398      7.61291565    -15.39359630
  O     11.01986576      9.22567119    -12.59549306
  H     16.49304291      7.62474837     -9.75030312
  H     14.45412733      5.57167187    -13.44198874
  O     12.49636839      3.76443670    -11.91935404
  H     11.40578219      8.99047519    -13.45172787
  H     15.35079250      4.32485664    -13.18871536
  O     14.10685382      5.26540947    -16.29887860
  H     10.51263222      8.45810261    -12.30899436
  H     13.60216303      7.67513807    -13.80986596
  O      9.68031252      6.81517636    -11.72721595
  H     12.22079621      4.50484912    -11.36015971
  H     15.14901591      7.59915844    -13.59644271
  O     12.83827918     10.39658349    -10.98847128
  H     13.16128970      4.08355352    -12.54974308
  H     16.02005297      9.63311458    -11.22687989
  O     16.84023530      3.94441905    -12.11766594
  H     14.27987726      4.89082048    -15.42485372
  H     14.67749760     10.36263424    -11.50935016
  O     15.82797066      7.21775458    -16.99064439
  H     13.16229894      5.46182531    -16.32092199
  H     13.82256564      7.57945176    -11.55535769
  O     13.14891110      4.69100269     -8.05841252
  H     10.29532903      6.43530130    -11.07618741
  H     13.24212438      8.65425459    -10.59927783
  O     11.37408489      5.99365533    -16.10336408
  H      8.80956936      6.77000335    -11.33921959
  H     11.14580444      4.39367964    -13.18367941
  O     14.33151846      9.56108687    -16.27479446
  H     12.15826997     10.04785137    -11.59459907
  H     10.21201775      5.61907525    -13.10832595
  O     12.31293381      8.35524339    -14.88731598
  H     12.43649682     11.11623517    -10.50994885
  H     11.97008518      5.37410701     -9.33055764
  O     14.53113446      4.61853119    -13.60393642
  H     17.20102454      4.84948679    -12.13675594
  H     12.26506291      6.52446189    -10.32341507
  O     14.29711456      7.32770793    -13.23356081
  H     17.56066023      3.35603988    -12.32671718
  H     14.02470792      3.57918079    -10.74084293
  O     15.59867245     10.29484111    -11.78774735
  H     15.20796768      6.49588192    -16.78050555
  H     15.56054110      3.68908579    -10.76412284
  O     13.50432241      7.72823803    -10.65141473
  H     16.24326078      6.99085923    -17.81795417
  H     16.72418742     11.44789667    -14.48315660
  O     10.60724314      4.98638700    -13.72047717
  H     13.66494208      4.10288360     -8.62740424
  H     15.98400682     10.57038113    -13.44676883
  O     11.64499506      5.80376709    -10.13216254
  H     13.75458730      5.41596062     -7.87847546
  H     15.27308549      5.47927337     -9.49540916
  O     14.79538226      3.72115165    -10.17585930
  H     11.08089959      5.58667693    -15.26785916
  H     14.67090634      6.89011007     -9.62561690
  O     16.23023829     10.63820127    -14.38721887
  H     10.68066163      5.84417195    -16.74034231
  H     17.51254867      6.95160604    -13.08346675
  O     15.36764366      6.38502322     -9.17606327
  H     14.83866867      8.82097798    -16.63219933
  H     17.56240269      7.11992056    -11.55322911
  O     17.72179127      6.48620260    -12.26187730
  H     14.92582523     10.02721721    -15.67395239
  H     16.74178010      8.86984385    -14.46111217
  O     16.78514337      7.90443068    -14.45764592
  H     12.92884511      8.84873176    -15.44994003
  H     16.56083799      7.60979570    -15.35023757
          69
 Energy    -248.65582559098115     
  O     16.66221769      3.91767189    -15.55468508
  H     15.91576132      4.43696484    -15.22691713
  H     12.64975027      7.91042824    -14.88950548
  O     13.49267402     10.42809128     -9.91747004
  H     16.93838908      3.36823209    -14.81151520
  H     11.25917298      5.82177629    -14.28887151
  O     15.78127350      8.05120128    -14.91939106
  H     13.13761125     10.51646688    -10.80824287
  H     11.91275168      6.73682777    -13.22705777
  O     18.85458247      5.31650823    -16.38675123
  H     13.27580931      9.53111753     -9.63219777
  H     15.89928050      9.74757716    -12.28459978
  O     13.04183799      7.66962036     -9.36267767
  H     16.73616804      7.97603356    -15.03982364
  H     14.42526768      9.31852163    -12.45844533
  O     19.57013686      8.30609480    -10.68761736
  H     15.65449186      8.38780981    -14.01919229
  H     18.52083129      3.14053212    -13.39689700
  O     15.45346041      7.02057508    -10.45290548
  H     19.04767553      5.11442954    -17.29832500
  H     17.90639648      1.80072963    -12.92643001
  O     14.40099534     12.47159970    -13.13568192
  H     18.03976168      4.83284722    -16.16110827
  H     16.05413545     11.88396561     -8.75801572
  O     17.35963606      8.66593573     -9.19478422
  H     12.86530480      7.20939851     -8.54642531
  H     15.13431742     10.94801976     -9.57401282
  O     14.79048144      5.56464395    -14.26961743
  H     13.90314852      7.35381017     -9.68629514
  H     19.04670782      6.90716178    -11.74991095
  O     18.53595274      7.67097890    -14.83572978
  H     20.35397110      8.36379711    -10.14818241
  H     17.91990107      5.91075470    -12.20760531
  O     13.03714933      8.77581813    -15.06807344
  H     18.80818556      8.45561421    -10.09998794
  H     13.27677890     11.11079797    -12.92106047
  O     12.07917838      6.24698905    -14.05193083
  H     15.73083940      6.19570566    -10.87070414
  H     12.81074033      9.81600118    -13.64325529
  O     15.32335479      8.97612486    -12.36515873
  H     15.42764345      7.69551740    -11.15089050
  H     17.56176155     10.95882271    -12.43239783
  O     17.68813261      2.70274139    -13.14373050
  H     15.27719345     12.17347301    -12.84238901
  H     16.69849171     11.38237271    -11.17675818
  O     16.06394617     11.18230629     -9.40407306
  H     14.55674283     13.13723916    -13.80102732
  H     15.75297707      5.15790379    -12.79731474
  O     18.77635054      6.29100502    -12.44126360
  H     16.92980068      9.52984691     -9.18528135
  H     16.74420161      4.09341717    -12.27220246
  O     12.83594316     10.25901169    -12.77879805
  H     16.69904774      8.03381638     -9.50777131
  H     19.69031564      4.51229263    -14.81477156
  O     16.73639857     11.37690436    -12.14156445
  H     13.83625148      5.67908401    -14.19013165
  H     19.64101700      4.93164738    -13.33820064
  O     16.33453781      4.93927881    -12.05301519
  H     15.15066578      6.41380284    -14.56612302
  H     11.91233790      8.71020805    -12.11617344
  O     19.83616118      4.18221992    -13.91996803
  H     18.60304896      7.21213074    -13.98421009
  H     12.05973004      7.68161566    -10.97655500
  O     11.69780125      7.80395564    -11.86218553
  H     18.72828605      6.99638498    -15.49840753
  H     19.19316298      9.37484209    -12.22646991
  O     18.85374038      9.88250159    -12.97422801
  H     13.97232790      8.61168237    -15.24733004
  H     18.82360315      9.27680664    -13.72381097
          69
 Energy    -248.65564906342115     
  O     11.53558879     11.00337671     -9.91908641
  H     11.34893086     10.07909103    -10.12297463
  H     18.55147023      8.91867634    -11.71493767
  O     13.31511809      8.95227740    -17.24965750
  H     11.03992375     11.56783165    -10.53581459
  H     15.09795991      7.78992836    -13.35396599
  O     11.37009631      8.31126337    -10.72098947
  H     13.75144718      8.76778433    -18.07695647
  H     16.28123552      7.91954104    -12.37224880
  O     14.16898479      8.83757369    -14.57575659
  H     13.00725370      9.87531325    -17.29246166
  H     12.93148995     14.55687292    -11.97150899
  O     12.94786811     12.78764343     -8.35946728
  H     10.80842664      7.61394923    -10.39314753
  H     12.11862765     15.66796632    -12.67194750
  O     12.25712059     11.46283797    -17.25077985
  H     12.29097885      8.03280849    -10.55496274
  H     14.41947880      7.40817204    -11.15290258
  O     11.58955413      8.76606473    -13.51350809
  H     13.97186029      8.78983944    -15.51907368
  H     14.49286286      8.28453726     -9.90161591
  O     13.92561687     11.29401124    -11.30846113
  H     14.48181967      9.73643198    -14.39934171
  H     16.49301968     11.71896692    -13.12498251
  O     16.74174141     13.59656589    -10.35220274
  H     12.42995925     12.10687996     -8.82172006
  H     17.08221389     12.37395214    -11.84777413
  O     10.43363404     12.66834613    -11.76392894
  H     12.41758697     13.07578855     -7.62050176
  H     10.01296049     11.08695285    -14.96132891
  O     12.60159890     12.87115867    -14.80570516
  H     11.30813118     11.29597186    -17.18510613
  H     10.85115571     10.35307118    -13.87807362
  O     17.62659691      9.15003107    -11.69842421
  H     12.46879412     12.07712363    -16.53661445
  H     14.83893631     12.29760664     -8.15307233
  O     15.51915886      7.37055393    -12.59195759
  H     11.52405716      8.54836761    -12.57719739
  H     15.82458379     11.21869139     -8.64547201
  O     12.28042988     14.72750211    -12.67216867
  H     12.52345506      8.74834927    -13.76741254
  H     14.14121091     11.98640977    -14.31511724
  O     13.92629088      7.64969732    -10.35432034
  H     13.06772934     11.06045294    -10.93291257
  H     14.48297738     11.29172883    -12.97910534
  O     17.25516854     11.71523502    -12.52945892
  H     14.03193760     12.23976396    -11.14575068
  H      9.90427005      9.69035858    -16.57430433
  O     10.46754643     11.20933036    -14.11970378
  H     16.49205989     13.06664382     -9.57308135
  H      8.75168559     10.51746638    -17.19620284
  O     15.77568981     12.12096914     -8.29445575
  H     17.48613805     14.13391426    -10.09345615
  H     15.10645839     10.27409681    -10.33029674
  O     14.80656835     11.43598642    -13.88300173
  H     10.29615238     12.16268195    -12.57816701
  H     16.43487501      9.48679443    -10.29457710
  O      9.56913820     10.59521862    -16.71277404
  H     10.95883411     13.43293875    -12.02345435
  H     13.64618144     13.77125216     -9.80455115
  O     15.69690801      9.77716177     -9.74344921
  H     12.54405304     13.61324916    -14.19286214
  H     14.97671449     14.05663369    -10.57595617
  O     14.01270522     14.05692144    -10.65292278
  H     11.87868152     12.27396129    -14.55929059
  H     11.62154404      8.29445897    -16.60728627
  O     10.76270488      8.21734562    -16.17230607
  H     17.55909780     10.05922376    -12.03930941
  H     10.94879787      8.23179887    -15.22374599
          69
 Energy    -248.65550461742575     
  O     11.24912107      8.85189985    -14.91056498
  H     11.35728495      9.80954374    -14.93455200
  H     16.96097616      6.48552488    -15.00815678
  O     16.92791356      7.37168330    -13.38266579
  H     11.95388642      8.49921617    -15.47291705
  H     20.14801562      8.47348719    -13.12221985
  O     15.87604371     12.38887797    -12.43878795
  H     17.75440175      7.83810367    -13.21985128
  H     19.20188531      9.42524755    -13.88007800
  O     16.52275217     11.40298662    -14.88367618
  H     16.29011492      8.02491903    -13.71688925
  H     14.39789023     10.96433935    -17.15789832
  O     14.13450009      5.30839401    -15.86399930
  H     16.23370608     12.15810017    -11.57425211
  H     15.02335661     11.77796066    -16.01490037
  O     14.74008341      9.65177805     -9.18601381
  H     15.01148845     11.95313998    -12.47734171
  H     14.49348200      8.73767787    -14.96854948
  O     15.10486840      6.67180997    -11.45020868
  H     16.40404672     11.87167596    -14.04274291
  H     14.52795662      9.67351312    -13.71605920
  O     13.56448315     10.86345139    -12.70878055
  H     16.05804533     10.55725024    -14.78766708
  H     11.08376412      7.86412341    -13.51410493
  O     17.29946742      8.62763500    -17.19774988
  H     13.81807500      4.47666746    -16.20584301
  H     10.16604623      7.03920837    -12.57880132
  O     16.55102282      7.43357186     -9.16458622
  H     13.84598019      5.35615440    -14.93414891
  H     17.78329425     10.04552762    -10.28515516
  O     18.92571855     10.32903837    -15.43095065
  H     14.03148478      9.37810152     -9.78125489
  H     18.59169281      9.19178163    -11.29443945
  O     16.85099156      6.21738563    -15.93082556
  H     15.27778595      8.86308607     -9.03856484
  H     12.49156899      6.07680880    -13.12471860
  O     19.29462105      8.89970700    -13.07028001
  H     15.77941595      6.85932370    -12.12033434
  H     13.92202073      5.80787782    -12.61569317
  O     14.20600339     11.65750577    -16.51479280
  H     15.54572706      6.77673908    -10.59887859
  H     16.76392589     12.08537905     -9.12367950
  O     15.06986834      9.12544837    -14.29859493
  H     12.88880562     11.10281275    -13.35492913
  H     15.90579704     10.89855923     -9.61488292
  O     11.07264106      7.29589242    -12.72216014
  H     13.24592875     10.13540215    -12.15771753
  H     15.81689182      9.18211168    -17.85970648
  O     18.21177792      9.18808457    -10.40981006
  H     17.19319935      7.74721647    -16.80465585
  H     14.98481534      9.43427740    -19.14001451
  O     13.29157565      5.57025606    -13.30806100
  H     17.92052854      9.10834435    -16.64429728
  H     13.78647758      7.96096325    -11.33685979
  O     16.64874182     11.48150086     -9.85308520
  H     17.01083119      7.00370500     -8.44889800
  H     12.28234429      8.16986270    -11.61531693
  O     14.93759500      9.44660262    -18.18810706
  H     17.20019722      8.00489485     -9.61421329
  H     12.75647916     11.62599524    -15.52748788
  O     13.05794382      8.58881541    -11.22245308
  H     18.09317533     10.80624781    -15.25984191
  H     11.49565318     12.39074383    -15.06564701
  O     11.98801769     11.58554413    -14.93034457
  H     19.49094591     10.92811782    -15.91216362
  H     13.92221398      8.39898353    -17.05559219
  O     13.47344106      7.98519256    -16.30745317
  H     15.97701448      5.81282758    -15.97447823
  H     13.70666398      7.04797668    -16.28363561
          69
 Energy    -248.65543427036084     
  O     17.03915553      9.66264608    -10.41546496
  H     16.74192854      9.00125074     -9.76931836
  H     19.35703147      3.84359873    -12.81355494
  O     13.81851004      5.05568503     -7.97050336
  H     17.03510505     10.51519219     -9.96356601
  H     16.99368143      5.15092998     -9.85942896
  O     17.03700614     11.93204563     -8.80678893
  H     13.17236392      5.25273676     -8.65820161
  H     15.57036873      5.27239345    -10.48525448
  O     12.31860440      5.85681789    -10.28383127
  H     14.65201472      4.91204700     -8.43966008
  H     19.25800316      7.75397416    -12.62417885
  O     15.09908949      8.58607208    -12.09796762
  H     16.91698708     12.86877918     -8.93359624
  H     19.06274805      6.40465645    -13.34105470
  O     19.35174550      8.23534595    -10.84758682
  H     16.42388961     11.66202677     -8.09711119
  H     17.28187912      8.90675142     -5.45379163
  O     20.58642890      8.57344423     -8.34104037
  H     13.04283362      5.74715331    -10.92501511
  H     17.65836478      9.72824740     -4.19726228
  O     18.73966568      5.59194943    -10.13885713
  H     11.52441472      5.54270964    -10.70808270
  H     17.45919569      7.79745270    -14.11318445
  O     15.52484664     11.06735239     -6.77087178
  H     15.78013903      9.03196703    -11.57382425
  H     16.61245348      8.32314175    -15.29600037
  O     13.39129993      8.42666310     -9.75608706
  H     15.49348861      8.44221811    -12.96835074
  H     16.05214008      6.83687601     -9.08193239
  O     13.50486215      9.18816985     -7.01643682
  H     19.88763952      8.37673468    -10.05730363
  H     15.05124936      8.01171607     -8.94640471
  O     18.78433025      4.59977889    -12.71035145
  H     18.57488488      8.80708573    -10.76056226
  H     18.62882627     10.37569507     -6.53043791
  O     16.04956350      5.11210406     -9.65992290
  H     21.50059591      8.73162860     -8.12051300
  H     18.49621361     11.11277980     -7.87856758
  O     19.01755450      7.35914538    -13.47376233
  H     20.07797633      9.32427771     -7.98491140
  H     13.98495938      6.02378486     -6.53886280
  O     17.51626442      9.79623363     -5.13749982
  H     18.89355892      6.49268567    -10.45747072
  H     13.57685244      6.26692433     -5.06871147
  O     16.54739710      7.91752719    -14.43534084
  H     18.91222552      5.62788317     -9.18604983
  H     14.71988202      6.79912731    -11.90564307
  O     15.97178062      7.75816088     -8.80128350
  H     16.11267184     10.70656842     -6.09797209
  H     15.01453931      5.44869258    -12.61218543
  O     19.10296258     10.58672218     -7.34489464
  H     14.77524766     10.45840525     -6.83757194
  H     18.38182708      6.52963913     -6.95105798
  O     14.10863957      6.61876307     -5.77762269
  H     13.79737695      8.65047643    -10.60255488
  H     19.64549002      7.03541580     -7.68100154
  O     14.53271746      5.85011002    -11.87497110
  H     12.90106480      7.60561728     -9.89479139
  H     16.57421664      7.64535454     -7.13095470
  O     19.11831930      6.24517856     -7.50413682
  H     13.28038935      9.00852171     -7.93789365
  H     15.95077679      7.04148094     -5.87329436
  O     16.77982391      7.39790796     -6.21539760
  H     13.65556238      8.33408041     -6.59463678
  H     17.06137095      4.84393371    -13.53078830
  O     16.20096650      5.10038636    -13.88558380
  H     18.80305791      4.83413945    -11.76781639
  H     16.30528213      6.00223403    -14.21527161
          69
 Energy    -248.65530444359428     
  O     13.13835821     10.27039109    -10.99389883
  H     13.67492194     10.91237497    -11.48544863
  H     14.24146189      6.25186807    -15.36737461
  O     15.92360875      5.07556046    -12.62213604
  H     13.67799264      9.94228444    -10.26743524
  H     18.53461133      6.41504614    -14.17686951
  O     14.64176644     11.83892929    -12.74606708
  H     16.46842024      5.01296772    -11.82525247
  H     18.69771249      7.92838446    -13.99132276
  O     17.49637353     11.44583083    -12.43389670
  H     16.48772112      4.98011507    -13.39870082
  H     15.51533954      8.06330672    -16.20921935
  O     11.55798598      7.22246983    -16.65176064
  H     15.60404037     11.80300983    -12.72167834
  H     16.50898989      9.18976073    -15.82194603
  O     14.57407100      6.40168257     -9.72376979
  H     14.37939183     11.56000307    -13.63237736
  H     15.74383632      6.98283356    -12.73148699
  O     12.76790860      6.29335231    -14.27105133
  H     17.33575902     10.78085567    -11.74208278
  H     14.78222777      8.20355096    -12.91753387
  O     13.78529267     10.56690810    -15.19156691
  H     18.10379186     12.08367717    -12.06816278
  H     17.75921812      5.89718454    -10.36220545
  O     14.05679128      9.03839748    -18.62262619
  H     12.13007567      6.81901453    -17.31553869
  H     17.61705210      4.58233070     -9.55620675
  O     17.29126452      5.17953558    -15.04436297
  H     11.82008077      6.83278945    -15.80752783
  H     14.24472178      4.82000955    -12.19707279
  O     17.52792066      9.36594761    -14.33451305
  H     15.43419573      5.96677976     -9.78352087
  H     13.09057315      3.93958256    -11.65988510
  O     14.96532693      6.27297309    -16.00945714
  H     14.00826649      5.97288349    -10.37395517
  H     16.45249569      8.84906134    -11.45326031
  O     19.02643236      7.07535387    -13.67693555
  H     12.78743149      5.69829383    -13.51464784
  H     16.25632076      9.36675234    -10.01600178
  O     15.75968864      8.97952403    -16.39569172
  H     12.78144395      7.18983737    -13.89557244
  H     18.22929861      8.02419392    -10.77057689
  O     15.70697626      7.94101810    -12.81700191
  H     14.51690109     10.08451191    -15.60098863
  H     18.90850304      7.14661926    -11.85703068
  O     17.14742621      5.16991845    -10.14085297
  H     13.04577872     10.50354348    -15.80931270
  H     14.53636975      9.08767643     -8.03887866
  O     13.31919747      4.83613283    -11.89455142
  H     14.76816755      9.14892467    -17.97575519
  H     14.64376189      8.08135941     -9.20788497
  O     16.88027281      9.36576167    -10.75199232
  H     13.28279571      9.46581327    -18.23509038
  H     13.79419715      7.31510608    -18.63505795
  O     18.70197350      7.19493100    -10.91169557
  H     16.49632339      5.56734059    -15.44881017
  H     13.58371480      5.94129496    -19.31810424
  O     14.77125282      9.01432860     -8.96004604
  H     17.65204335      4.56642566    -15.68000368
  H     10.95098017     10.29383069    -17.29195554
  O     13.62899042      6.36900861    -18.46780075
  H     17.63518654     10.17846468    -13.82616297
  H     11.63632887      8.97014215    -16.87927478
  O     11.79654766      9.91048889    -17.07479403
  H     16.87924050      8.83104218    -13.84730441
  H     12.96011700      9.22372780    -12.38521730
  O     13.07924312      8.74742555    -13.22070643
  H     14.56583164      6.19052474    -16.88558743
  H     13.25248831      9.40648097    -13.90621230
          69
 Energy    -248.65527652742864     
  O     15.90364095      9.99700705    -16.55310162
  H     15.44835912      9.47032837    -17.20462984
  H     17.06966145     12.76237206    -17.08748232
  O     18.29325128     16.10952037    -14.95664241
  H     16.40696317     10.67391180    -17.03943993
  H     19.11274942      9.40298310    -10.44828585
  O     21.77856256     10.14738047    -15.66473237
  H     18.25401314     16.96703921    -15.37175043
  H     18.51995519     10.69785710     -9.86050182
  O     19.05979626     12.58253579     -9.92800155
  H     19.09976597     15.67365797    -15.28699308
  H     21.31924968     10.52426025    -10.92383898
  O     14.70587811     11.79762728    -12.13238231
  H     21.71979839     10.75491958    -14.90587002
  H     20.58698425     11.83992113    -10.54807509
  O     20.77450537      8.78105021    -11.20300433
  H     22.70576177      9.97171525    -15.80636269
  H     17.13139798      9.35175197    -13.59601124
  O     16.32960946      9.43941502    -12.07193666
  H     18.36484777     12.67668212    -10.59720701
  H     17.03316372      9.48669528    -15.15801714
  O     19.99281457     12.10074393    -16.72935781
  H     19.35910061     13.48059890     -9.74385576
  H     20.42694445     13.92600676    -16.24554964
  O     19.94201926     15.29734678    -10.00995718
  H     14.64462718     11.85565100    -13.10340902
  H     21.20806206     14.72238006    -15.16596741
  O     21.35597686     11.92250545    -13.62476751
  H     13.83295360     11.96378237    -11.78820722
  H     22.45112775     14.46335934    -12.89192503
  O     14.76648344     11.99900374    -14.82051899
  H     20.57783118      8.66426652    -12.14938473
  H     23.43524597     14.71680542    -14.05505255
  O     17.32144708     12.03350388    -17.67158077
  H     21.09465633      7.94111132    -10.88450315
  H     18.31835043     15.81397537    -13.07391814
  O     18.29179205      9.80342592    -10.13763525
  H     15.69581314     10.16052559    -11.99257668
  H     17.81262355     14.72263830    -12.10500621
  O     21.40910016     11.48615574    -10.91997037
  H     16.95493654      9.53568415    -11.33832315
  H     21.52374085     14.65551899    -10.75376433
  O     17.64667591      9.42779239    -14.41712701
  H     19.43476818     12.05794620    -15.94042710
  H     22.16141474     13.26910887    -10.97860287
  O     20.49216242     14.78430637    -15.81020406
  H     20.63637388     11.39146576    -16.61567873
  H     20.74468523      8.92038729    -14.55162454
  O     22.54261621     14.44164576    -13.86190656
  H     19.80421914     16.02452632     -9.40924609
  H     19.29060946      8.71921767    -14.08023147
  O     18.31308621     15.54936446    -12.14786758
  H     19.37944640     15.46454189    -10.78851567
  H     18.30932430     11.05163570    -14.25050606
  O     22.25965334     14.20598272    -11.18969389
  H     21.78190758     12.77679781    -13.76752801
  H     19.55335874     11.96589776    -13.92002735
  O     20.21215598      8.53576685    -13.84791021
  H     21.40132539     11.72981480    -12.67783164
  H     17.19836886     14.63979153    -15.34610198
  O     18.62709484     11.96669253    -14.19706470
  H     15.35026306     12.72974927    -15.06593815
  H     17.46167841     13.16078906    -15.00578145
  O     16.85811668     13.74827006    -15.48297545
  H     15.01965908     11.25920897    -15.38441736
  H     16.33524679     12.61834743    -11.94313413
  O     17.23251128     12.97346060    -11.96141230
  H     18.28533089     12.00732850    -17.64039705
  H     17.68970886     12.55897454    -12.70422935
          69
 Energy    -248.65521704523803     
  O     11.37277337      9.14664502    -10.48025319
  H     10.72443608      8.51931295    -10.17110167
  H     13.15915852     14.43628183    -13.46590885
  O     13.78880684     10.04176582    -16.93075961
  H     11.96368574      9.32811945     -9.72748774
  H     18.23171254     10.85196871    -10.71609774
  O     14.74999578      9.55189925    -14.33067297
  H     14.03700593      9.64988026    -17.76429537
  H     17.86486342     10.10963545    -12.02003879
  O     13.37557668     12.64523629     -7.60501807
  H     12.94099785      9.63764640    -16.67112356
  H     16.08471321      8.92200765    -13.15593743
  O     12.50691879     12.63743760    -16.74027877
  H     13.89850790      9.44058574    -13.88293276
  H     16.21191427      8.74263076    -11.62839196
  O     12.17567771      9.43909432    -13.23644263
  H     14.55501570      9.64519608    -15.27151137
  H     12.72272728     14.61477627    -10.32402848
  O     15.37180949      9.36030690     -9.97436870
  H     12.96878704     13.21997666     -8.27922143
  H     11.83709536     13.38754698    -10.05355435
  O     14.26478141     11.61765811    -11.17659703
  H     13.03716402     12.93421443     -6.76173093
  H     18.50238916     13.43066860    -13.46843959
  O     13.05332339      9.84743806     -8.47141206
  H     13.09315848     11.87303269    -16.80206188
  H     18.01802481     12.33051138    -12.49156606
  O     16.10341004     14.69135784    -11.21226974
  H     12.79275591     13.15566736    -15.97735855
  H     11.75240753     12.65376374    -13.85356456
  O     11.40182620     11.90939221    -10.96418122
  H     11.96504600      9.20406980    -12.32598755
  H     10.55138448     11.88283718    -14.46818869
  O     13.10709794     13.78697214    -14.17702326
  H     11.82659213     10.33143724    -13.37630891
  H     15.22760670     12.43356489     -9.91158005
  O     18.33719055     10.88170846    -11.67322428
  H     14.97673299     10.09520410    -10.47049341
  H     15.03421401     12.84205323     -8.44703265
  O     16.72290918      8.77530120    -12.44661548
  H     16.16833523      9.71243854     -9.55682521
  H     16.15014347     12.47030779    -13.56911903
  O     12.30273777     14.11618146     -9.61509776
  H     14.56891149     11.86340579    -12.05904878
  H     15.21958481     11.25907800    -13.97426332
  O     17.74569861     13.13621671    -12.96955871
  H     13.31150376     11.75125216    -11.13104382
  H     10.88196659     12.01800407    -16.51881270
  O     11.06649648     11.99668064    -13.66168585
  H     13.90750400      9.58244699     -8.84116073
  H      9.36027025     11.94394545    -16.80301481
  O     15.69749832     12.80524446     -9.14681642
  H     13.15556691     10.75227801     -8.15648008
  H     16.98924534     11.60126751     -8.92293355
  O     15.23870633     12.19205617    -13.72106745
  H     16.08250897     14.17704072    -10.39510301
  H     18.06407300     10.85259682     -8.09715178
  O     10.04790759     11.59442238    -16.24349172
  H     16.71373159     14.23451127    -11.80362432
  H     13.53607078     16.37659871    -11.89143176
  O     17.58354192     10.83146335     -8.92040353
  H     11.24508645     10.98751307    -10.72677573
  H     14.49120079     15.18320733    -11.67585469
  O     13.57129372     15.42268217    -11.88796407
  H     11.12680796     12.01422975    -11.88615384
  H     11.57912312      9.01718740    -15.01877109
  O     11.42205781      9.10002924    -15.96852731
  H     13.90420189     13.23961100    -14.08862845
  H     10.80756653      9.83689986    -16.07956087
          69
 Energy    -248.65500774915537     
  O     10.63029183      9.69302467    -11.59292843
  H      9.83237843      9.33273015    -11.21588955
  H     12.46554579     11.67302200     -9.74487107
  O     14.45174159     10.75790943    -12.86356089
  H     11.13843205     10.08782382    -10.86047921
  H     10.49155869     10.66819087    -18.46330249
  O     16.85864366     13.29906674    -13.68270271
  H     15.30027335     10.82336254    -12.40816498
  H     10.73056915     11.57426942    -17.23123659
  O     15.02314825      7.92922631    -11.29403894
  H     14.02535706      9.92059803    -12.65041836
  H     14.75200427     13.59163747    -15.65070719
  O     10.97125407     11.55653328    -13.68705174
  H     17.32927204     12.98566209    -14.46628893
  H     13.62719708     14.61870190    -15.47039634
  O     12.13654078     14.90046548    -16.60610972
  H     16.08102873     13.76522740    -14.00579092
  H     17.92226797     11.18471653    -15.73388816
  O     15.40940900     12.39479597    -16.89337516
  H     14.28512865      7.86413748    -11.91427335
  H     18.94713317     12.16727151    -16.35091855
  O     14.50691755      9.32643574     -9.02332602
  H     15.82389796      8.09464676    -11.80596962
  H     13.19432889     13.36371972    -11.06389105
  O     13.13025032     13.09400391    -12.81497664
  H     10.73323068     10.97508381    -12.95476490
  H     13.02027815     14.21996379     -9.78854678
  O     14.68004928     10.13297046    -15.53431249
  H     11.65694630     12.15687103    -13.36276962
  H     16.46383565      9.58732116    -15.46873887
  O     17.49535793      8.73385972    -12.52887382
  H     11.90583652     15.70450497    -17.06429801
  H     17.48705881      9.19839459    -14.38418656
  O     12.16049401     10.76044642     -9.67349239
  H     12.46048802     14.27634925    -17.28199893
  H     15.31409557     11.02963381     -9.24216187
  O     11.13599486     10.89038174    -17.79610186
  H     16.36624650     12.40926074    -16.77795903
  H     14.90437611     12.46122945     -9.64631313
  O     14.37632253     14.21571552    -15.01325183
  H     15.10692015     11.57083995    -16.48074658
  H     11.67281519      9.83856803    -16.31917243
  O     18.06828720     12.11445554    -15.98597755
  H     14.65827764      8.75925824     -8.27168005
  H     11.65202654     10.26144562    -14.84025285
  O     13.25592657     13.34764190    -10.09392507
  H     14.71017164      8.79985597     -9.81604916
  H     13.94283573     12.76364378    -17.96150762
  O     17.41010659      9.57396625    -15.26874518
  H     13.51632525     13.59410462    -13.54530870
  H     12.52324131     12.20047074    -18.23306928
  O     15.66832757     11.89100629     -9.49844852
  H     13.60665367     12.24673524    -12.79566948
  H     12.02664668      8.74391235    -12.41472261
  O     11.97383311      9.57314019    -15.44107048
  H     13.76869329      9.84898780    -15.67238849
  H     12.57483888      8.58180054    -13.84387453
  O     13.06650300     12.99429762    -18.30057198
  H     14.71072505     10.43650542    -14.61472721
  H     16.99493344     12.04942379    -12.40907098
  O     12.79257751      8.43290863    -12.91586374
  H     18.30099387      8.39182858    -12.14827280
  H     16.63613778     11.57779103    -10.94856347
  O     16.97275400     11.28840469    -11.80952477
  H     17.41602390      9.65841476    -12.23136329
  H     10.78917746     13.58173129    -16.15064125
  O     10.22894376     12.79871012    -16.08948376
  H     12.92376606     10.23975185     -9.39280347
  H     10.35871799     12.43289280    -15.20367949
          69
 Ord_Energy   -248.654907    
 O   -7.55348110      -1.44453025       4.55771160    
 H   -6.77247667      -2.01196647       4.57627344    
 H   -8.12427235      -1.79023921       3.85924172    
 O   -8.74287891      -4.82256126       6.38541555    
 H   -9.31370544      -5.30061483       6.98298216    
 H   -9.31934738      -4.49804688       5.67808247    
 O   -11.0660696       1.01233590       4.95956039    
 H   -10.9372044      0.124434397       5.32128572    
 H   -10.5522585       1.08461154       4.13827038    
 O   -4.75737953      0.138996586       6.24056196    
 H   -5.30799723      0.924667120       6.14138603    
 H   -5.13147831     -0.387760580       6.95722055    
 O   -8.34384632     -0.841391027       7.13761997    
 H   -8.08107185      -1.04679418       6.22575188    
 H   -7.58972168      -1.08024669       7.68705082    
 O   -9.62868214       1.19326985       2.66208601    
 H   -8.67166328       1.20051777       2.79468322    
 H   -9.81535912      0.543675244       1.97560692    
 O   -10.3922300      -3.72558045       4.41266680    
 H   -9.88074589      -3.43999124       3.64255762    
 H   -11.3137465      -3.80719995       4.13726044    
 O   -6.21256351      -2.93576193       1.47644603    
 H   -5.82073450      -2.04573750       1.54820919    
 H   -5.83927584      -3.34050035      0.698163927    
 O   -6.16135788      -3.83817220       6.77410555    
 H   -7.05131006      -4.20250082       6.66585255    
 H   -5.78478670      -3.77469659       5.88743687    
 O   -12.7254057      -1.26912570       2.16824269    
 H   -12.8846521      -2.11028934       2.61215305    
 H   -13.0746679     -0.586269081       2.75431085    
 O   -6.39095545       2.43536425       5.72552252    
 H   -7.29604483       2.29096842       6.05666304    
 H   -6.16808367       3.34073877       5.92339420    
 O   -13.5756426      -1.75919867       5.69443035    
 H   -13.7648077     -0.926054895       5.24483681    
 H   -12.6780176      -1.66651416       6.04570723    
 O   -5.31643820      -3.16288900       4.19130325    
 H   -4.59440565      -2.51906919       4.19844818    
 H   -5.57994080      -3.27495265       3.27053046    
 O   -5.87103128      -1.59492779       8.22106457    
 H   -5.52942991      -1.79823196       9.08703041    
 H   -5.94258404      -2.44087172       7.73981333    
 O   -8.87098980       1.84371912       6.60779476    
 H   -8.70292568      0.948905528       6.93688726    
 H   -9.67235279       1.77307522       6.07655430    
 O   -8.85177422      -2.63405824       2.39433193    
 H   -9.34633541      -2.04788542       1.80600178    
 H   -7.99153042      -2.80771160       1.99098241    
 O   -13.6213255      0.624215662       4.11582994    
 H   -14.1390791       1.42367017       4.07918119    
 H   -12.7363482      0.877642155       4.43306732    
 O   -5.08476448     -0.514838338       1.91178536    
 H   -4.41836643     -0.631245971       2.60076261    
 H   -5.71287012      0.125790983       2.27392697    
 O   -6.92271614      0.987287998       3.37103057    
 H   -7.12466812      0.154714376       3.82566404    
 H   -6.68384886       1.61288393       4.06522942    
 O   -10.8225813      -1.53646195       6.14300156    
 H   -10.0369053      -1.37373388       6.68136215    
 H   -10.6124229      -2.27564192       5.55724716    
 O   -13.1318216      -3.61140561       3.77110720    
 H   -13.8296013      -4.25700140       3.70072961    
 H   -13.3741856      -3.01043582       4.49951935    
 O   -10.3953428     -0.900456190      0.869108140    
 H   -10.5662470     -0.766825080      -5.90311587E-02
 H   -11.2608614      -1.02336538       1.30111325    
 O   -3.46873641      -1.05331302       4.20111418    
 H   -3.90552640     -0.584428847       4.93607950    
 H   -2.53071618      -1.00094867       4.36131811    
          69
 Energy    -248.65489543481200     
  O     19.43867405      9.70565450    -13.97799742
  H     19.52463571      8.92795470    -14.54924741
  H     16.72716984      4.23821086    -16.25040655
  O     17.34119297      6.59640035     -9.31574150
  H     18.55543856     10.05591850    -14.13640932
  H     15.76451594     10.26006398    -13.00146618
  O     14.26276764     10.17367850     -9.66530506
  H     16.83246091      7.14260238     -8.69750008
  H     16.23841400      9.46492319    -11.77213213
  O     16.72298108     10.60631922    -14.58855666
  H     16.67924966      6.09742651     -9.81395035
  H     17.18178109      5.90028368    -13.21635325
  O     12.44238996      8.01666350    -10.16046935
  H     14.14655377     11.08276073     -9.39897605
  H     17.39502130      7.37732844    -12.75165078
  O     19.35385443      3.87803785    -12.13091823
  H     14.66250142     10.19465568    -10.54985319
  H     14.49294089      8.34782737    -12.35597109
  O     15.18075894      5.50648320    -10.75153368
  H     16.68195372     11.44750379    -15.03749250
  H     14.13816474      7.17406714    -13.30037917
  O     19.65043217      4.48337681    -14.96044288
  H     16.47485045      9.93358742    -15.24768067
  H     20.06247681      6.95892753    -10.98972323
  O     16.64919608      4.17666659    -12.68303859
  H     12.80251386      7.78427376    -11.02824522
  H     19.05042634      6.24568333    -10.05799169
  O     15.29050254      3.84160023    -15.04403707
  H     12.89871736      8.83062388     -9.91296532
  H     18.14374056      6.95731615    -18.64054692
  O     19.33309725      7.29654332    -15.33106752
  H     19.90582272      3.17624538    -11.79564770
  H     17.68330624      6.11056180    -17.43095518
  O     17.50533865      4.54116700    -16.72904219
  H     19.56736610      4.67358307    -11.61160977
  H     14.75327670      7.39948607     -8.05201473
  O     15.46600292      9.91800237    -12.15089671
  H     14.59701610      5.50078217     -9.98246339
  H     15.09961278      8.82879526     -8.50315398
  O     17.29230317      6.80861426    -13.52429527
  H     14.83285387      6.19027112    -11.34289745
  H     20.09015241      9.16536176    -12.46847429
  O     14.04451296      7.49223580    -12.39319190
  H     19.77778379      5.43841174    -15.03424367
  H     21.00339531      9.36431706    -11.23608098
  O     19.79389186      6.09510261    -10.65757654
  H     19.62049433      4.28492828    -14.01859620
  H     14.84667013      5.69282944    -15.07641918
  O     17.86560588      7.02037565    -17.73105804
  H     16.14757193      4.49436673    -11.91878581
  H     15.74826651      6.78884559    -14.47266136
  O     15.43949127      8.07720835     -8.00353099
  H     17.54781024      3.95004434    -12.40830752
  H     15.43370111      8.03717410    -15.99712830
  O     20.30648248      8.81510424    -11.58489206
  H     14.78137493      3.03524882    -15.04851081
  H     16.64354967      8.20698789    -16.92775969
  O     14.88017725      6.63654724    -14.88211324
  H     15.76943971      3.86707911    -14.19775568
  H     12.97928962      6.72525242     -9.11445566
  O     16.01597832      8.70235670    -16.38676988
  H     18.95252403      7.27900231    -16.21801556
  H     12.80703485      5.62914625     -8.03381852
  O     13.45322813      6.05269446     -8.59190912
  H     18.60012270      7.11708978    -14.71973119
  H     18.50953816      8.73656348    -11.32725605
  O     17.57259619      8.51028850    -11.27353824
  H     18.26183654      4.39575139    -16.14056252
  H     17.46978034      7.89412472    -10.53657074
          69
 Energy    -248.65488436480547     
  O     11.44563113      9.74968591    -13.53184658
  H     11.64907365     10.60535485    -13.13657148
  H     13.43138575     13.04998713    -15.49200003
  O     17.24902342     10.84319882    -11.26867022
  H     11.76779648      9.79399463    -14.44273304
  H     15.84679623      9.73148499    -14.54883402
  O     16.30624553     14.04514925    -14.66906982
  H     16.28376107     10.89789516    -11.32164109
  H     14.79759338      8.64662627    -14.14933844
  O     14.20697349      7.54101205    -16.77684606
  H     17.48490516     10.56594582    -10.37570018
  H     11.82444182      8.26554623    -12.74508688
  O     16.06595966      7.62295840     -8.60725828
  H     16.73268532     14.89753365    -14.69549398
  H     11.30858339      6.91345547    -12.19699241
  O     16.17174332      6.72537855    -12.03112459
  H     16.91147510     13.44428001    -14.19818163
  H     18.87820338      6.97811023    -10.19966966
  O     14.53344759     10.75371291    -11.72953415
  H     14.20705876      7.10889814    -15.91189813
  H     19.13997988      8.03507481    -11.29185528
  O     16.23319453     12.06538778    -16.72318490
  H     13.62766591      8.30711374    -16.67787971
  H     13.48730993      6.94763483    -13.51635563
  O     17.52686716      5.67120488     -9.80506854
  H     16.64754457      8.39317348     -8.58690518
  H     15.00082006      6.61182756    -13.43869868
  O     17.56869510      9.87343056    -15.24465189
  H     15.32600304      7.85318491     -9.18539999
  H     17.97606004     11.46850163    -14.20473342
  O     16.82936567      8.19968614    -17.23624801
  H     15.53033233      7.25983855    -11.53882142
  H     17.79375382     11.84042266    -12.71691695
  O     13.55410637     13.36381773    -14.58877442
  H     16.64656447      6.19979231    -11.37648351
  H     17.41536377      7.94685702    -12.63779916
  O     14.97474088      9.59746043    -14.15989374
  H     13.77718740     11.34483649    -11.81461612
  H     17.79374836      9.40826090    -12.28484791
  O     12.10101214      7.42481549    -12.33629061
  H     14.68162260     10.37873791    -12.61359067
  H     18.61241278      9.02330619     -9.34272208
  O     19.34608876      7.80421073    -10.37742048
  H     16.33299439     12.79082940    -16.09208963
  H     18.62007083     10.01835717     -8.15661117
  O     14.29104939      6.86294358    -14.04582092
  H     16.73739828     11.32890853    -16.36422153
  H     14.54137145     12.15312592    -17.15599430
  O     17.95307888     12.21455129    -13.59393531
  H     17.57077025      4.86128941     -9.30486602
  H     13.43629756     12.66683277    -18.10965387
  O     18.06475800      8.64232649    -12.81264182
  H     16.98975370      6.29807765     -9.28601647
  H     13.43563402      7.88668469    -11.09847974
  O     18.06904516      9.66505445     -8.85021489
  H     17.88520017      9.35684548    -14.48837773
  H     14.31528518      9.14526448    -10.92881489
  O     13.57970264     12.27719750    -17.25171347
  H     17.40944278      9.25468504    -15.97605273
  H     12.72895018     12.68809249    -13.23547288
  O     14.22969496      8.21903604    -10.66164525
  H     15.89652611      7.94726368    -17.13357517
  H     11.74174810     12.93609533    -12.07048147
  O     12.30226022     12.27283620    -12.46349706
  H     17.12385007      7.80014000    -18.05001135
  H     13.61008700      9.91021087    -15.33128562
  O     12.85761399      9.91655658    -15.94331950
  H     14.47634623     13.64457733    -14.53130742
  H     12.97081905     10.70241357    -16.49119264
          69
 Energy    -248.65479942599654     
  O      2.00345536      0.10409456      2.07412454
  H      1.90950086     -0.27908082      2.95490904
  H     -3.49999083      0.28516279      5.09463772
  O     -3.50782436     -1.09649206     -3.36838361
  H      1.60010711      0.97964032      2.13657739
  H     -2.64234901      1.51889601      1.58611652
  O      1.47418197     -0.80356550      4.73541427
  H     -3.53731014     -0.57714925     -2.54787407
  H     -2.33662002      2.65935329      0.58493288
  O     -3.20913462      0.22675235     -0.94891434
  H     -4.32774228     -0.93104338     -3.82692931
  H     -1.04305621      0.71270876      5.72211583
  O     -2.57318665     -3.41118103     -1.92115219
  H      2.18062016     -0.93371479      5.36370404
  H     -0.36393025      2.03671517      5.35145014
  O      0.27304841     -2.87664500     -2.17378490
  H      0.92642599     -0.07869541      5.08368629
  H     -0.54386541      2.29308903     -0.65452377
  O     -3.60653547      3.07227921      3.61088364
  H     -3.43466568      0.93205926     -0.33036152
  H     -0.44244646      3.83052498     -0.80278383
  O     -2.91500891     -2.82096843      4.92134377
  H     -2.25031400      0.29364966     -1.06513229
  H     -1.90663877      0.31291569      3.54737379
  O      0.38085674      2.39910044      2.32691013
  H     -2.92435043     -2.75492562     -2.53609242
  H     -0.83644403      0.99830890      2.63337403
  O     -0.69764638     -0.65417257     -3.69343547
  H     -1.61355330     -3.32964703     -1.97503817
  H     -3.40974485     -2.84547045     -0.39605220
  O     -5.10270978      0.71852394      4.24779718
  H      0.93789581     -3.53601756     -2.35791592
  H     -3.61542869     -1.36343624     -0.05124117
  O     -2.62050407     -0.06405855      5.28499977
  H      0.59087457     -2.37245373     -1.40659312
  H      0.14078093     -1.69581680      0.54747793
  O     -3.05961305      2.18567672      1.01613872
  H     -3.53423033      2.95507603      2.65379915
  H      1.43464551     -0.86230392      0.67179102
  O     -0.17988490      1.15045284      5.68019573
  H     -4.18326612      2.35525247      3.90009153
  H     -1.97325049      3.42338056      4.18715027
  O     -0.67174636      3.13854128     -0.18821304
  H     -1.98502978     -2.92547419      4.64970496
  H     -1.03717533      4.46039434      4.84523111
  O     -1.61502991      0.42627310      2.63478519
  H     -3.12799819     -3.57311354      5.46662609
  H     -0.47371415      0.35829613     -2.23782815
  O     -3.69962109     -2.25478760      0.31468952
  H     -0.01685716      2.93364211      3.02671824
  H      0.05701084      0.04434751     -0.80978464
  O      0.88228556     -1.33759331      0.03454504
  H      0.08426023      2.76041527      1.48164870
  H     -0.56849155     -2.73362865      3.13729545
  O     -1.04719228      3.60382543      4.42600507
  H     -1.64637245     -0.81156287     -3.77817150
  H      0.29317429     -2.23273535      4.31977545
  O     -0.45492520      0.68208854     -1.32514866
  H     -0.32515300     -1.46851118     -3.32906626
  H     -1.35550697     -1.17721475      1.95490677
  O     -0.36408174     -2.89312692      4.07026622
  H     -4.98374427     -0.07551898      3.69529387
  H     -2.06740203     -2.28682309      1.14835564
  O     -1.23228423     -2.06134514      1.57379483
  H     -6.00038222      0.69165541      4.56855535
  H     -4.07061282     -2.13242066      3.52082464
  O     -4.62449723     -1.61096557      2.92679227
  H     -2.70273285     -1.02708837      5.27619297
  H     -4.41086729     -1.89648644      2.03015084
          69
 Energy    -248.65447689342460     
  O     13.14762002      6.43576012     -8.05802129
  H     12.89037807      6.31085007     -7.14863646
  H     12.87109136      6.57291073    -15.50895925
  O     14.33855678      5.63612944    -15.89564860
  H     12.35660167      6.26646787     -8.60087386
  H     16.18266131      8.42395767    -11.94209159
  O     17.41796247      6.46903687    -13.91439756
  H     15.10519821      6.10038342    -16.25093119
  H     14.99638083      8.17496682    -12.88726113
  O     10.15782141      6.49196315    -13.29525950
  H     14.70044157      4.99852365    -15.26685286
  H     12.93245271      7.38441841    -13.57945631
  O     17.57079345      4.05161847    -10.39744089
  H     17.38139953      6.58280586    -14.87212845
  H     12.93963158      8.15840995    -12.21566808
  O     11.18821030      4.22882075    -11.85888599
  H     16.87588978      7.18366968    -13.54575441
  H     11.01076354      5.32299850    -10.31661908
  O     16.57872528      7.72690406    -10.27584476
  H     10.45663537      5.65643017    -12.91493659
  H     10.54972421      6.76496349    -10.04979165
  O     12.94395270     11.11594962    -13.39042694
  H     10.73908149      6.67773707    -14.04433772
  H     14.45610576      4.57081208    -12.66371405
  O     17.02700116      2.29167655    -12.42703397
  H     16.76750644      4.42536426    -10.01099367
  H     13.66350198      5.83927113    -12.22522899
  O     15.67321728      9.34165622    -15.54773551
  H     18.08218899      4.80348592    -10.71842773
  H     16.38870934      7.94140625    -16.28911826
  O     12.85486658      9.82229382    -15.77961777
  H     11.03950846      3.29420488    -11.97568729
  H     17.16242050      7.22732267    -17.42523270
  O     12.16178756      7.14692964    -15.17746514
  H     12.14776548      4.37236197    -11.93259997
  H     16.16373666      3.44260710    -13.47279057
  O     15.89825809      8.53062570    -12.85852157
  H     17.45222691      7.41478268    -10.53978110
  H     16.34617705      4.93821536    -13.84891468
  O     13.39485666      7.48594481    -12.73674208
  H     16.08003655      6.92356242    -10.06192389
  H     18.41853510      6.36615377    -12.41085284
  O     11.00100709      6.01495231     -9.64419485
  H     12.64964602     10.61674832    -12.61178154
  H     19.73513211      6.57707570    -11.63299619
  O     13.81471128      4.90283268    -12.02111408
  H     13.66987481     11.65885988    -13.09053088
  H      9.90122550      7.58195078    -11.96744069
  O     16.75042172      7.08353548    -16.57800066
  H     17.25098473      2.85272954    -11.66471813
  H      8.91644694      8.41514529    -11.11180979
  O     15.71818032      4.20403052    -13.87251384
  H     17.35611470      1.42157120    -12.22140253
  H     14.53575851      5.64289888     -9.01164704
  O     18.80406344      6.40194990    -11.51981221
  H     14.73518600      9.51642475    -15.68728324
  H     14.69566519      5.13593327    -10.46740307
  O      9.82125216      8.11809428    -11.15700318
  H     15.79303921      9.23509324    -14.59395051
  H     13.74753772      8.06518209     -8.82292081
  O     15.18888564      5.37474799     -9.66886998
  H     12.83507439     10.30187680    -14.93256363
  H     14.95797325      8.63801401     -9.58435522
  O     14.04422264      8.82435702     -9.34097050
  H     12.45755298     10.39796926    -16.42838658
  H     11.36955374      9.13159048    -11.10422549
  O     12.23230585      9.53444353    -11.26223279
  H     12.33139832      8.04041366    -15.50140224
  H     12.81943737      9.35186991    -10.51174282
          69
 Energy    -248.65447559715750     
  O     -1.21817853      5.18832252      2.30238885
  H     -0.55340129      5.08365079      1.60032979
  H      0.60570451      2.60282401     -2.66045377
  O     -3.27336635      5.80468783     -1.00140557
  H     -2.00684087      4.72284037      1.99053300
  H      0.51471412      6.59675669     -2.54550092
  O      2.21120226      7.05980263      1.17319565
  H     -3.20542976      5.12381845     -0.31603369
  H      1.08616204      7.83661590     -1.84437918
  O     -0.74292886      5.33324930     -2.03419661
  H     -3.88497981      5.45241963     -1.65983765
  H     -3.69072035     -0.41296496     -1.06581090
  O      2.42743349      2.79134445      0.27413199
  H      1.78770123      7.76664492      0.67129592
  H     -2.85955890      0.85952894     -0.77722145
  O      0.64816190      4.94406965      0.30337358
  H      1.79232296      7.04940712      2.04963676
  H      3.06342209      4.51713236      3.41770296
  O     -1.71384197      7.55061571      0.59335219
  H     -0.25008888      5.24142598     -1.20249151
  H      3.20063314      4.35508844      4.95071382
  O     -1.40636970      1.73163577     -0.18183815
  H     -1.64916998      5.55981910     -1.79249084
  H     -4.18884194      3.62902109     -3.06278617
  O     -3.08544317      3.73256175      0.89211589
  H      1.91139466      2.08169627      0.67644551
  H     -5.39720290      4.47112634     -3.53407655
  O      0.55264642      8.80717231     -0.28078917
  H      2.49374604      2.61990810     -0.67386707
  H     -2.10538036      2.39767912     -3.26063797
  O      0.65649311      1.04514254      1.59249131
  H      1.22079452      4.16803736      0.28812118
  H     -3.32178082      1.59721257     -2.76075398
  O     -0.34778298      2.69865937     -2.56180404
  H      1.20914414      5.70351810      0.51479300
  H      1.07159037      3.41630881      3.76718832
  O      1.28846053      7.17701689     -2.51793121
  H     -2.34050030      7.13390774     -0.01272791
  H     -0.32451884      3.69457421      3.17042619
  O     -3.66690117      0.52986647     -1.20697448
  H     -1.62040549      6.93188013      1.32469397
  H      3.08336288      2.30511100     -3.16119102
  O      2.56163449      4.41882363      4.24611956
  H     -0.71006718      1.43714617      0.41660249
  H      2.76295266      3.65587054     -2.47966101
  O     -4.83663883      4.29961499     -2.78214692
  H     -0.98854529      2.05821928     -0.99226812
  H      0.06612587      6.24052988      3.32387447
  O     -3.06138259      2.30880114     -3.35927263
  H     -2.45785638      3.07705185      0.55862622
  H      1.44241765      5.95236387      3.95281250
  O      0.28526767      2.98631301      3.40557756
  H     -3.96303778      3.42156703      0.62674661
  H      3.41409401      4.07038630      1.24670464
  O      2.49413621      2.72016895     -2.53671178
  H      0.42460489      9.75072962     -0.22794995
  H      3.37374849      5.60135854      1.51833141
  O      0.90469813      6.65375077      3.56310859
  H     -0.27800735      8.39735598      0.01879540
  H     -5.32885094      3.28758603     -1.18038722
  O      3.75818878      4.76744896      1.82138740
  H      0.50509210      1.70931543      2.29119194
  H     -4.91674353      1.90356003     -0.65380382
  O     -5.31405875      2.74157065     -0.38447372
  H      0.81287601      0.21309432      2.03058467
  H      2.60084441      6.00018672     -2.36070691
  O      3.25310822      5.29612863     -2.21019856
  H     -0.51425974      3.65149914     -2.47648147
  H      3.89955804      5.66087887     -1.61037068
          69
 Energy    -248.65428499054431     
  O     12.75260682      8.31553444    -16.14794048
  H     13.51619678      7.89317822    -16.56316535
  H     18.19484310      6.00035210    -14.81875367
  O     17.66856915      6.98379069    -13.32545779
  H     12.92893083      9.26372013    -16.16588184
  H     21.51151806      8.23196839    -12.95050973
  O     17.06694158     11.20143073    -12.58884952
  H     18.07627182      7.61450905    -12.71960273
  H     20.74169034      9.21101644    -13.84538873
  O     17.92688559     10.96048858    -15.23579090
  H     17.18078138      7.52051235    -13.97047257
  H     16.67485664     11.23767810    -16.58131566
  O     15.56706857      4.63015207    -16.05261062
  H     16.89191086     11.67011616    -11.76033389
  H     16.23296529     10.40445319    -17.80082512
  O     14.77984534      9.77328040     -9.83071850
  H     16.19722469     10.92209980    -12.91285453
  H     15.63456106      9.12516536    -14.47614679
  O     15.55881464      6.42722842    -11.64572360
  H     17.75387178     11.17100485    -14.30714444
  H     16.95380918      9.33450790    -15.23818903
  O     14.63499299     10.31091268    -13.55217980
  H     18.84028602     10.66081429    -15.30937092
  H     12.20891755      7.47973387    -14.73899555
  O     19.02391063      8.00606608    -17.04417435
  H     15.37458221      3.73368863    -16.31378659
  H     11.05003877      6.76569286    -14.00190395
  O     16.91265134      7.87752580     -9.61613718
  H     15.08412302      4.78705694    -15.22133437
  H     13.38499907      5.72134391    -13.85111419
  O     20.45117410      9.73231363    -15.58229671
  H     15.47067913      9.12126571     -9.65644098
  H     14.61625144      5.44360117    -12.96713876
  O     18.24121210      5.68783938    -15.73300683
  H     14.19328891      9.36689341    -10.47873044
  H     18.00626961      9.78985577    -11.90496020
  O     20.86811053      8.93706367    -12.92461774
  H     15.92205171      6.74449847    -10.81081646
  H     19.38079878      9.05266033    -11.92255781
  O     15.96299107     11.13187126    -17.22785756
  H     16.28370623      6.52029449    -12.28302050
  H     15.62955021     11.34067865    -10.01181077
  O     16.30543750      8.66161978    -14.99450133
  H     14.12329792      9.68987453    -13.01573812
  H     15.85278572     12.80244764     -9.58849628
  O     11.97131378      6.99856337    -13.92579614
  H     14.10547469     10.61391537    -14.29945323
  H     16.13627091      8.15812670    -18.19311607
  O     14.17959715      5.17802964    -13.78588438
  H     18.77303300      7.15662828    -16.65141496
  H     16.65318088      8.56804938    -19.59121666
  O     18.48409845      9.02217072    -11.56023180
  H     18.31547546      8.26197099    -17.64324693
  H     14.22411504      7.67643648    -11.87504175
  O     16.18486863     12.12337511    -10.16884817
  H     17.41772899      7.69347099     -8.82833562
  H     12.86197917      7.91025789    -12.56337779
  O     16.74033037      8.76021374    -18.66077520
  H     17.52301846      8.29611797    -10.24771236
  H     14.38404388     11.09611682    -16.48654880
  O     13.52043594      8.33056501    -11.99628645
  H     19.97805570      9.07157517    -16.12251656
  H     13.03398119     11.82267773    -16.28809458
  O     13.52470573     11.04702476    -16.03002865
  H     21.11875867     10.11951320    -16.14255972
  H     15.59357393      7.70276123    -16.29024321
  O     15.18631557      7.21862232    -17.02834130
  H     17.40090039      5.24264884    -15.88958950
  H     15.28189207      6.28031400    -16.82497291
          69
 Energy    -248.65391082853540     
  O     16.66960438     10.97815610    -15.74093689
  H     16.68329296     10.06719341    -15.40827190
  H     17.30730287      5.70675872    -11.81168135
  O     14.26650203      5.75943125    -13.27130416
  H     16.19481567     11.50086200    -15.08563279
  H     19.81130014      9.53807422    -16.85924223
  O     19.22944616      7.13301058    -15.11478158
  H     14.39697255      5.99333550    -14.20232519
  H     20.70157364      8.80042193    -17.88833705
  O     13.25069535      8.89867595    -16.83215712
  H     15.12456672      5.47850882    -12.93524133
  H     17.57494885      7.92783521    -14.91999730
  O     18.69784529      9.62060566     -9.81394572
  H     19.70228986      7.37102066    -14.30585438
  H     16.04301616      7.79938984    -15.18481538
  O     15.88815255      8.64644700    -12.19855095
  H     19.61042541      7.61950725    -15.85704825
  H     14.50928433     11.44492040    -13.82925581
  O     19.54457418     10.66286851    -13.13673337
  H     12.49519570      8.98754942    -17.40609887
  H     14.66225037     12.97682064    -13.69931852
  O     17.74628775      4.81920939    -15.07137559
  H     14.01556929      9.27084555    -17.31087591
  H     18.22546232      7.92563423    -10.41332990
  O     13.16087615      8.02661987    -12.33010388
  H     19.61456672      9.80701419    -10.05016252
  H     17.12440875      7.67655306    -11.44338409
  O     16.50562350      5.32293778    -17.42035790
  H     18.16759379     10.25646858    -10.30875640
  H     13.33654108      9.74660096    -15.12146491
  O     14.70101453      6.73574650    -15.83282860
  H     14.94147960      8.48296788    -12.13238356
  H     13.24106196      9.42225513    -13.61359670
  O     16.89369712      4.98194498    -12.30547736
  H     16.13845655      8.55442703    -13.13148137
  H     20.77561894     10.49032900    -11.78635975
  O     19.96807104      8.67891072    -17.29191690
  H     18.69199560     10.90111685    -12.74477390
  H     22.07007328     10.54973533    -10.94525742
  O     16.72120105      8.35509071    -14.77794412
  H     19.58361936      9.69683625    -13.13521899
  H     20.71238983      8.38826335    -12.04476326
  O     15.15097716     12.15877878    -13.65975984
  H     17.43148053      4.79125170    -14.16197002
  H     19.36799880      7.61763863    -12.08940486
  O     17.90396507      7.26150606    -11.03955799
  H     18.37903677      5.55280318    -15.10408882
  H     16.67103442     10.21571282    -11.88643402
  O     13.42906862     10.13029055    -14.24133617
  H     13.47395529      7.16004117    -12.64855495
  H     16.51109707     11.65033246    -12.37063829
  O     21.26585446     10.05262468    -11.06983378
  H     12.47762445      7.85598806    -11.68801957
  H     17.18946579      7.00657568    -18.08698725
  O     20.11208717      7.91690764    -12.63255101
  H     16.94927380      5.05981736    -16.59350937
  H     18.27005130      8.11624343    -18.05337820
  O     17.10292018     11.08364418    -11.86206160
  H     16.47206051      4.54771110    -17.97417973
  H     19.62190932     10.96472736    -15.00318755
  O     17.38928766      7.90255424    -18.38129698
  H     15.18790698      6.24924997    -16.51042359
  H     18.47672508     11.09568426    -16.00775449
  O     19.43265878     10.95519003    -15.94938825
  H     14.13638016      7.39383102    -16.25844853
  H     15.87266909     10.40281600    -17.32184046
  O     15.45603096      9.84984492    -17.99569155
  H     16.96134247      4.20905728    -11.74789206
  H     16.11250370      9.17688933    -18.22917383
          69
 Energy    -248.65381749827321     
  O     13.51761541     11.96231366    -10.43812507
  H     13.53949198     12.73244973    -11.02467130
  H     15.42081893     12.67958009    -17.98402610
  O     10.60745146     11.85288529    -14.75450460
  H     12.67521733     11.99088995     -9.96886505
  H     14.63663535     14.47318918    -11.89510084
  O     13.42829176      9.61543063    -11.93291710
  H     10.87481018     12.66184969    -14.29390580
  H     14.10626622     13.49548297    -12.95940877
  O     10.90717510     11.96048353     -9.43208931
  H      9.93260063     11.43181064    -14.20809987
  H     11.93867673     16.35193164    -16.28742102
  O     10.67852992      9.64322787    -11.11607767
  H     13.45256357     10.43989152    -11.42414597
  H     13.08015943     15.36376395    -15.95073903
  O     12.87898037     10.32497018    -14.51671813
  H     13.20922973      9.84256184    -12.85054221
  H     14.38294443     13.20854802    -15.07747176
  O     16.49876896     14.58610926    -11.48898029
  H     10.44746782     12.46744432    -10.12573938
  H     13.95340882     11.79680866    -14.52334528
  O      8.89597939     10.74266490    -12.84884079
  H     10.49145426     12.18456831     -8.60415146
  H     16.94752122     12.62413043    -16.26487334
  O     14.75599207     14.87352703    -16.02365711
  H     10.74772030     10.31516097    -10.42603223
  H     16.26955741     12.35124150    -14.90405842
  O     14.06107288     11.67266271    -17.98871083
  H     11.58394934      9.44079945    -11.38080148
  H     11.79821387     13.81730023    -16.83251511
  O     11.36134281     14.24798051    -13.48349508
  H     13.19330818      9.86340912    -15.30392205
  H     11.22084234     12.45777122    -16.42154200
  O     16.16756949     13.29809079    -17.87089133
  H     12.03901447     10.76582837    -14.70359081
  H     16.51193035      8.62222204    -11.79654828
  O     13.82769202     14.06221312    -12.22022378
  H     16.52905179     13.62955961    -11.30772549
  H     15.19410402      9.34808722    -12.14165410
  O     12.11707539     15.49781541    -15.90234208
  H     16.98086541     15.01228873    -10.78536993
  H     16.41516323      9.49460606    -14.15628126
  O     14.52232317     12.56176416    -14.37398631
  H      9.51416652     10.27014838    -12.26279575
  H     16.88583520     10.47398920    -15.25104516
  O     17.12720696     12.33893951    -15.35873387
  H      8.08324304     10.24467493    -12.85288222
  H     15.10058546      9.28922223    -16.11330933
  O     11.74482731     12.89449548    -17.10517516
  H     15.44879277     15.07286546    -15.37486056
  H     14.32528758      8.32131995    -17.04209344
  O     16.15470121      9.35955828    -12.28694383
  H     15.19928173     14.45722291    -16.77369827
  H     10.15283221     13.67299376    -12.15572193
  O     16.48077678      9.60801802    -15.11243583
  H     13.21168540     12.06684787    -17.74043670
  H      9.24593635     12.43509995    -11.98222044
  O     14.27768047      9.17665965    -16.62431796
  H     14.09736649     10.79409599    -17.59543293
  H     16.81061470     14.92497911    -13.32853299
  O      9.64516673     13.17242345    -11.50391779
  H     11.51950154     14.77404017    -14.27746211
  H     17.23492408     14.15522820    -14.59162118
  O     16.88929864     15.00387565    -14.28692768
  H     12.18682464     14.26319539    -12.97832372
  H     16.41617823     11.12335386    -11.44602974
  O     16.30192924     11.92571283    -10.92572234
  H     16.55593751     13.42666734    -18.73118923
  H     15.40084562     11.88154675    -10.57717660
          69
 Energy    -248.65371959855241     
  O     13.14658160     13.26278183    -13.55259201
  H     13.61609542     13.65325178    -14.29928236
  H     13.84297723      7.98836286    -14.01255660
  O     17.50801213      6.93418829    -14.60822524
  H     12.74533649     12.45005357    -13.88479640
  H     16.51037681     10.54870175    -14.95276691
  O     19.35811930     11.39912554    -13.02426820
  H     17.10329641      7.21917840    -15.43371289
  H     17.55973325     11.10176124    -15.94979513
  O     17.07299298     13.91374163    -14.36314022
  H     16.88115315      6.31629302    -14.21030009
  H     14.53661346      8.74838613    -17.86549915
  O     15.42893716      5.39936763    -13.39185485
  H     18.73613297     11.87281401    -12.46370757
  H     13.86104638      8.91417764    -19.24482694
  O     16.75045317     10.69832224     -9.81554638
  H     19.16719590     10.45669476    -12.90919294
  H     16.93517229      9.77164879    -13.04003719
  O     15.08028778      7.14644471    -11.36923518
  H     16.27912200     14.01722921    -14.90068926
  H     16.37029621     11.19927345    -12.76496768
  O     14.29677317     13.48968161    -11.12666175
  H     17.72332243     13.45549575    -14.90864830
  H     12.05533805     10.06567806    -15.23072596
  O     11.87089555      8.55995450    -16.27618700
  H     15.30633669      4.49530394    -13.11670642
  H     13.16959201     11.09611734    -15.41219572
  O     17.47052500      8.13852787    -10.19379946
  H     15.31509789      5.95686368    -12.59992365
  H     18.19435211      8.43130148    -11.88444285
  O     15.76711853      8.12387442    -16.68049206
  H     15.78044526     10.68525655     -9.84034044
  H     18.18819273      8.08560893    -13.41529454
  O     13.91399672      7.34542051    -14.72975227
  H     17.01034975     11.43669697    -10.37345496
  H     14.64419309      9.71320745    -12.87583958
  O     16.73226337     10.61025484    -15.89463456
  H     15.85464538      7.49497754    -10.90955808
  H     13.17735891      9.86832975    -13.33255414
  O     13.82437719      9.21052468    -18.33888683
  H     14.53504471      7.90001639    -11.61818299
  H     16.05353693     13.04888445    -11.53954336
  O     16.19799240     10.37011709    -13.22858000
  H     13.84943756     13.43763254    -11.99067254
  H     17.00323546     13.23511793    -12.74362020
  O     12.50246885     10.79653656    -14.78044526
  H     13.95547284     14.26165585    -10.68312128
  H     19.22912473     11.90121078    -14.69568648
  O     18.39547011      8.77367178    -12.76470585
  H     12.44692291      7.96879574    -15.77199506
  H     19.84119181     12.38203191    -16.03304600
  O     13.74564690      9.37190671    -12.72777341
  H     12.35830335      8.75007462    -17.08620464
  H     15.22574770     11.26957358    -16.53144037
  O     16.89139704     12.74299800    -11.91322799
  H     17.25265727      9.06890360     -9.99983721
  H     14.05930184     10.88565517    -17.46970168
  O     19.01334251     12.19346743    -15.60004784
  H     17.88204932      7.78265161     -9.41097575
  H     13.74193547     10.32254528    -11.01372621
  O     14.34619948     11.54877508    -16.83118897
  H     16.18340656      8.96112398    -16.42689429
  H     13.98555683     11.74474068    -10.47466757
  O     14.02255632     10.81013699    -10.23153353
  H     15.13587888      7.88484013    -15.98434704
  H     14.36109700     14.77617170    -16.46981082
  O     14.62436124     14.09215690    -15.85863768
  H     14.32450596      6.55825181    -14.35079642
  H     14.48653051     13.24336450    -16.31138664
          69
 Energy    -248.65354509443347     
  O     11.37245594     11.81963599    -11.86280097
  H     11.96561264     11.83214441    -11.09059841
  H     16.19642996     12.87234750    -17.70222071
  O     17.81706905     11.97458401    -13.02136569
  H     10.58460439     12.29510308    -11.61422659
  H     12.65196165      8.99052072    -14.04501150
  O     13.99736049      9.05740851    -10.60476493
  H     16.96089371     11.52754396    -12.95756299
  H     14.10722122      8.71216564    -14.46222891
  O     17.54206858      7.52033206    -11.77129773
  H     17.64983821     12.88618168    -12.75621836
  H     14.65603248     11.12660613    -12.99714660
  O     16.26626511      7.99712273     -9.30064646
  H     14.46701748      9.57342882    -11.27312418
  H     15.57488021      9.85938710    -13.02076296
  O     18.66948863      5.58524462    -13.38872605
  H     14.67749184      8.59608952    -10.09975431
  H     18.26578815     10.23054215    -10.18192004
  O     13.26920230     11.82288353    -13.91469085
  H     18.11107411      8.30444139    -11.80681754
  H     17.11488863     11.13918201     -9.66602044
  O     17.35710298      8.67247793    -16.06909004
  H     17.09582258      7.53329748    -10.91664066
  H     20.18592964      8.50522276    -14.75574190
  O     19.10892608      9.81355055    -11.88806936
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  H     16.74229182      8.84810238     -9.27167913
  H     14.44686514     13.16998273    -14.33794179
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  H     16.83425675     15.33702583    -12.27305053
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  H     13.35996646     10.69336791     -9.87913413
  O     17.60867552     10.33048858     -9.48191825
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  H     17.78320138      9.52826331    -15.91075513
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  H     19.70164209      9.56191934    -12.61141464
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  H     16.10602538     13.21606322    -10.84689528
  O     15.84973893     12.41453869    -10.37489702
  H     19.23349426      6.38692442    -14.84656837
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  O     15.82011743      8.31549644    -13.81056275
  H     15.75606020     11.64682787    -16.87106572
  H     16.35457538      7.90726136    -13.11797100
          69
 Energy    -248.65342300401960     
  O     -0.93661421     -0.53842712      5.02799091
  H     -0.51909681      0.33223593      4.98881155
  H      3.29354443     -1.52605094      2.42163536
  O     -1.82342473      3.45966442      6.46410167
  H     -0.64220304     -1.03579691      4.25167506
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  O     -5.64691322     -1.00519227      1.50827540
  H     -1.53163664      3.89112922      7.26442808
  H      1.98408260      3.15063536      0.19176566
  O     -5.30933443     -1.46636034      4.24261675
  H     -2.69989683      3.09085617      6.65533749
  H     -0.09545659      3.00662755      1.69502555
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  H     -5.70937404     -1.24164135      2.44481242
  H     -1.55862116      2.48626710      1.79910549
  O     -0.22856230     -1.84350183      2.67972252
  H     -5.69714827     -0.04378677      1.47664322
  H      0.30921414     -0.28908700     -0.06319526
  O     -2.41357719     -3.61726220      2.80286216
  H     -4.54792459     -0.90636431      4.02101423
  H      1.68843118     -0.43687598      0.61816783
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  H     -4.94050416     -2.30674526      4.54415631
  H     -2.25906258      4.34128130      4.75871519
  O     -4.42861553      2.51210986      6.91214439
  H     -3.31026112     -3.74721762      4.27410358
  H     -1.97439634      4.16094313      3.25135502
  O     -4.81865787     -0.10842654      6.72651743
  H     -4.05390605     -4.64699692      5.28898468
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  O     -1.43407683     -0.85803736      0.33386932
  H     -0.63857401     -1.46221593      1.89074539
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  O      2.44035412     -1.13495948      2.25584537
  H      0.72475539     -1.73542729      2.57463649
  H     -3.60599773      1.10470139      3.99265351
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  H     -2.46864428      0.04032714      4.24962668
  O     -0.89525633      3.03983846      2.23412504
  H     -2.87410826     -3.32657297      2.00662652
  H     -4.07492421     -3.12002937     -0.20493609
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  H     -4.38323617     -1.98833676      0.80021892
  O     -2.62173839      4.50876194      3.88066547
  H     -1.95988895     -1.40525646      6.31699616
  H     -4.77572021      2.65480838      5.04236265
  O      2.29121558      1.37861771      3.27539652
  H     -4.55994010      1.54497200      6.89684051
  H     -3.99037016      3.38359488      3.92557333
  O     -3.21489208      0.27678065      3.68429795
  H     -5.05117740      2.86088508      7.54442375
  H     -6.27851774      2.50239284      1.28993476
  O     -3.67401892     -2.55774392      0.45300297
  H     -5.23603202     -0.51136761      5.95762587
  H     -5.36093385      2.18673259      2.48919899
  O     -4.63770230      2.67903142      4.08919013
  H     -4.05022201     -0.66830209      6.91637868
  H     -0.57229229      2.53494077      5.38594459
  O     -5.59369337      1.90865549      1.58782014
  H     -2.13695106     -1.51362274      0.24260572
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  O     -0.05282385      2.07221328      4.71830584
  H     -1.88573275     -0.02125296      0.51536741
  H     -2.90343479      0.84746200      2.05580269
  O     -2.83829620      1.33648662      1.21724127
  H      2.43930779     -0.26290249      2.69022326
  H     -3.73477117      1.64159496      1.04445022
          69
 Energy    -248.65293609316748     
  O     13.69255372     15.21834527    -10.32784288
  H     13.71835763     15.34113715    -11.29332802
  H     12.01071717     12.66789848    -13.73682450
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  O     14.42309448      9.59601239    -15.05881818
  H     16.71176657      9.77905816    -11.45479045
  H     18.85066207     12.09479304    -12.99408535
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  H     15.94492537     10.07041815    -10.14306322
  H     13.46026661     13.39036893    -10.31871075
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  H     14.17637399      9.46795431    -14.12983953
  H     14.07469968     12.05163400     -9.81377186
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  H     14.32363279     10.53573588    -15.23983389
  H     16.18317054     12.02510818    -16.13784439
  O     13.70294689      9.15430664    -12.42370293
  H     15.33764741      6.52605061    -11.98196889
  H     17.26755340     10.92721599    -16.11541336
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  H     16.25340964      7.61425126    -11.38636380
  H     14.38793963      7.67625977    -15.34440188
  O     18.52112322     13.98914026    -15.68739380
  H     17.92270195      5.90519083    -14.44197711
  H     15.46257660      6.61109702    -15.04547867
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  H     16.99905161      6.66272713    -13.45885075
  H     15.78854495     11.38034515     -7.99639833
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  H     15.99686718     13.11311057    -12.31127058
  H     15.96292841     12.42724350     -9.11839721
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  H     16.83845729     11.23204323    -12.73513721
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  H     17.54936765     10.16300813    -13.61393338
  O     14.51081808      6.73807270    -15.15114525
  H     17.37507114      8.36844018    -14.99477460
  H     14.48309784     15.46792511    -13.59910512
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  H     18.07368501     13.19050816    -16.02146731
  H     13.10388661     14.78156248    -13.49729573
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  H     19.12948130     14.26955430    -16.36599414
  H     12.87683539      5.67025054    -12.57523632
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  H     12.45705602     10.55363188    -12.59004986
  H     13.80467494      6.40519783    -13.57483833
  O     13.69648404     15.39635206    -13.04686430
  H     12.34564369     11.80463901    -11.72845843
  H     16.72631406     14.30666891    -10.32321710
  O     13.52954052      6.36142805    -12.64119332
  H     13.70281800     12.80331508    -15.07636657
  H     15.39316828     14.60321096     -9.64101522
  O     16.21899249     14.11929091     -9.52080620
  H     14.91464116     12.37462571    -14.21388384
  H     16.94240122     14.82230496    -15.04628410
  O     16.07064319     14.96768905    -14.65355834
  H     11.24691359     13.52449539    -14.77787362
  H     15.55067928     14.19917420    -14.91888687
          69
 Energy    -248.65289194385332     
  O     -5.31991072      1.77913958     -3.14487666
  H     -5.60497278      1.72933229     -2.21710709
  H     -3.84157015     -0.47235224      2.55150570
  O     -5.78038878      1.50160440     -0.42307230
  H     -6.10074208      1.95428045     -3.66373465
  H     -1.23370621      3.13617495      1.84789529
  O     -2.34937714     -1.02468241      1.68810106
  H     -4.83060289      1.34658243     -0.28764766
  H     -0.01520744      3.16779402      2.79043959
  O      0.32761546      0.33136622     -1.04194278
  H     -6.22560493      0.76006053      0.00486393
  H     -2.44170716      4.12271540      0.00303918
  O     -3.58744114     -0.36877747     -2.49080251
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  H     -1.20147294      3.32604938     -0.48848722
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  H      2.95116281      0.88161569      1.10857870
  O     -1.17922451     -1.73182481     -2.00498193
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  H      2.49301980      1.83314170      2.23166713
  O     -0.34551722      2.89481854     -1.98003741
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  H      1.77657091      3.69109842      1.34073643
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  H     -4.16526768      0.23990524     -2.96238770
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  O     -6.51049208     -0.77302430      1.01473519
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  H     -4.53812045     -1.63805411     -1.46614372
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  H     -0.19041668      1.95514513     -1.80690342
  H     -3.99548593      6.05387520     -0.67517400
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  H     -0.36773346      1.16525316      2.14363134
  H     -4.39434611      4.70301295     -0.03201104
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  H     -3.27348715      4.05016808     -2.23902845
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  H     -3.69763303      2.84221034     -3.07963099
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  H     -7.27360997     -1.13991477      1.45249431
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  H      2.43458957      2.77726004     -0.59013311
          69
 Energy    -248.65275889070188     
  O     -5.55699512      1.53448129      2.24190163
  H     -5.20522128      2.12847294      2.92974582
  H      1.95853478      2.35027963      3.74190811
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  H     -6.42794827      1.27023859      2.52441296
  H     -3.03719790      1.68054532     -1.63318951
  O     -0.82089285      3.81258854     -2.57882124
  H     -1.45559525     -4.28897083      1.92401785
  H     -2.50810227      3.07379430     -2.01823325
  O     -2.25207851     -0.02655392     -1.16138549
  H     -1.39915991     -2.75207395      1.91607676
  H      0.49890112     -1.76137282     -1.01013219
  O      2.13002342      0.52685920      4.21688095
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  H      1.04225676     -0.35140538     -1.28880954
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  H     -0.68471441      4.40839680     -3.31046293
  H     -1.64041161      2.54199667      3.59126110
  O     -1.47897646      2.53351351      1.77127175
  H     -2.62378470      0.06199285     -0.27147654
  H     -1.20003789      3.51296618      4.69321117
  O     -0.62925570      0.16854879      5.01347592
  H     -1.98663919     -0.94861174     -1.26000661
  H     -4.40336657      4.89531454      1.47773677
  O     -1.18784062     -2.65468661     -1.22210510
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  H     -4.77927054      6.25689621      2.11439885
  O     -1.32679237     -1.17980109      2.73722515
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  H     -2.61097855      1.22580101      1.49280368
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  H     -4.04260709      0.65972907      1.68398633
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  H      0.75621148      4.03083911      0.10717460
  H     -3.57010012      3.09172856      4.32277607
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  O      1.24142460     -1.17360735     -0.82315290
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  H     -0.11670882      2.11874548     -2.17400546
  O     -1.73363541      2.72464264      4.53893063
  H      0.31786038      0.32135425      4.91698495
  H     -0.70704352      0.85217922     -1.50946498
  O     -4.16124520      5.53394002      2.17611952
  H     -1.04350552      1.04185359      5.00771550
  H      0.68092449      4.36706910      3.97030098
  O     -3.14824089      0.42077774      1.41402912
  H     -1.34413774     -3.36744581     -1.83626150
  H      0.42831237      5.58774809      4.88797906
  O     -4.44754675      3.30384670      3.97947341
  H     -1.29573118     -3.02419748     -0.32849835
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  H     -2.02725897     -0.66396887      2.31388935
  H     -5.14332182      2.87165269      0.87514859
  O     -0.00734639      4.96880358      4.30844606
  H     -1.16468620     -0.79619342      3.61158040
  H      1.22282428      1.25821166      1.16878018
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  H      0.32538521     -0.71001923      2.10508302
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  O      1.09512094      2.11446875      0.73484255
  H      1.34002014     -0.79507522      0.92684471
  H     -2.34973680      5.52638359      2.00517383
  O     -1.41269513      5.32909615      1.87272855
  H      1.68008325      2.97594393      2.36995817
  H     -0.97905762      5.33047626      2.73612610
          69
 Energy    -248.65273512570019     
  O     -7.26869420     -2.66901096      6.18332111
  H     -7.95130518     -2.13852288      6.61057439
  H     -3.07777020      1.51279710      1.99776220
  O     -9.65115578     -2.76671619      2.46412657
  H     -6.43103930     -2.21809907      6.34713789
  H     -6.82063501     -1.05045779      3.29395207
  O     -7.59441663     -4.15701758      3.93175604
  H     -9.01219747     -3.35107182      2.88697589
  H     -8.17919732     -0.70665506      3.98507400
  O     -5.78862758      0.79319701      0.45992850
  H     -9.96375307     -2.18497499      3.17176209
  H     -4.41289254     -1.27583969      5.67892144
  O     -6.21280764      1.05994338      5.78282805
  H     -7.58494176     -5.08082677      4.16733721
  H     -4.12041662     -1.46117812      7.18745354
  O     -5.39363011      5.25792405      0.61867318
  H     -7.50003348     -3.65611714      4.76224434
  H     -2.45601513      3.58331643      1.72482259
  O     -9.34895435     -0.99145840      7.21824277
  H     -5.91713305     -0.11205768      0.14955567
  H     -1.13968868      3.03062738      1.12398487
  O     -3.86170904     -1.29156514      4.04918421
  H     -6.63838604      1.08804905      0.80578557
  H    -10.82781282      2.49950590      3.73032038
  O     -4.35105157      3.02999672     -0.54605379
  H     -6.58515408      0.60432375      5.01105695
  H     -9.58481683      1.79726347      3.15388550
  O    -10.02717901     -0.93257900      4.49437781
  H     -5.68209729      0.39340970      6.23446918
  H     -6.05851162     -2.38093422      1.58873928
  O     -6.46559169     -1.87067237     -0.16456150
  H     -5.05296919      4.49299632      0.12107610
  H     -6.43905339     -3.15755587      2.89924233
  O     -3.77446118      0.98507620      2.40828854
  H     -5.52797682      5.95972533     -0.01203881
  H     -8.93150680     -0.14410712      0.84192942
  O     -7.34320559     -0.33461832      3.67680828
  H     -9.16491729     -0.04570633      7.07450250
  H     -9.25178301     -1.64223518      1.12232798
  O     -4.81303203     -1.24862119      6.56818737
  H     -9.83497788     -1.05721976      8.03571582
  H     -7.88314048      1.54526968      6.35995836
  O     -2.07489513      2.86121074      1.19246946
  H     -4.45989157     -1.82137652      3.50458300
  H     -9.25263174      1.83064232      5.70176723
  O    -10.17091843      1.83451740      3.92433076
  H     -3.70447639     -0.48543933      3.54072475
  H     -4.07326897      5.08158015      2.01156384
  O     -5.88964796     -2.45008954      2.53624169
  H     -3.49762500      2.92541992     -0.10670179
  H     -3.90883156      4.23970630      3.29400757
  O     -8.92899068     -1.02256337      0.44866763
  H     -4.86284798      2.24024275     -0.32774373
  H     -4.53536900      2.21001657      3.53144588
  O     -8.83515733      1.58467138      6.53424384
  H     -9.92692820     -1.04165737      5.44820404
  H     -5.35516983      2.39354980      4.82226853
  O     -3.41467443      4.73866150      2.62905541
  H    -10.24414297     -0.00525243      4.33460715
  H     -7.87778578      0.83449402      2.49128339
  O     -4.96145037      2.87905565      4.08717667
  H     -7.39492200     -1.60872063     -0.02083934
  H     -7.87294338      2.32843251      1.99602249
  O     -8.27384967      1.45298491      1.85440502
  H     -6.43404770     -2.35012793     -0.98742971
  H     -6.34393823      3.50182398      3.03478926
  O     -7.01247462      3.74614136      2.37962669
  H     -4.46590610      0.86590715      1.74259652
  H     -6.57322254      4.34014545      1.75982035
          69
 Energy    -248.65218690138300     
  O     18.75137028     11.67111863    -19.32873832
  H     18.37689059     12.55493901    -19.49875230
  H     21.88037569     15.47802799    -17.59103085
  O     21.11906536     17.90482017    -15.61853315
  H     18.59816927     11.15289064    -20.11440520
  H     15.05941768     14.72589862    -13.48397621
  O     22.08260387     11.82378593    -15.64866610
  H     20.85811468     17.43626690    -14.81496050
  H     14.79288967     13.21745793    -13.26515859
  O     15.96608983     13.94924343    -17.32643811
  H     20.32243195     17.99570910    -16.16128554
  H     22.43769187     13.53746878    -14.83625726
  O     15.50561110     11.50593294    -12.86538027
  H     22.69935171     11.09841832    -15.60129506
  H     22.86679826     14.98790060    -15.15937616
  O     13.54956226     13.26045932    -16.10647080
  H     21.85255504     11.93694878    -16.58897630
  H     18.57122288     12.36726548    -13.40670811
  O     21.30621166     12.27414628    -18.19909306
  H     16.48758540     13.16110474    -17.11669885
  H     17.23074899     12.17349777    -12.65183761
  O     23.10519581     16.33946080    -16.53010944
  H     15.06370137     13.76258160    -17.03948881
  H     15.88218495     11.00203716    -15.99905136
  O     16.34836695     16.10936063    -13.25397880
  H     15.37389160     11.20962530    -13.78385494
  H     14.46326154     11.57387013    -15.78647219
  O     19.37899927     12.21542661    -15.02736061
  H     15.11057804     10.84309945    -12.30516305
  H     18.93577717     17.54056518    -18.06429126
  O     17.62445081     14.11150750    -19.61213135
  H     13.80177130     13.59109529    -15.22481436
  H     18.06942115     17.48360433    -16.80030781
  O     21.10013221     15.04588372    -17.96073783
  H     12.61653369     13.42540915    -16.20831568
  H     21.25412636     15.41066390    -13.71023211
  O     14.42541884     14.02075556    -13.65605537
  H     21.29999552     13.24083124    -18.23882181
  H     19.92358442     15.69980475    -12.91815645
  O     22.55269332     14.41328228    -14.44961244
  H     20.47593852     11.98886124    -18.59763383
  H     18.66723987     15.10908803    -10.86174860
  O     18.09896046     12.58912018    -12.59241796
  H     23.91109497     16.82987616    -16.66304978
  H     18.38413722     14.16294346    -12.05522151
  O     15.07758849     10.90001987    -15.47130728
  H     22.43518171     16.97662261    -16.21632986
  H     18.10116348     11.70943748    -16.18880793
  O     18.81031564     17.95516337    -17.20311174
  H     17.11026726     15.78733700    -12.74822923
  H     17.85243213     11.47730743    -17.70329238
  O     20.50510761     16.02199405    -13.61446987
  H     16.10281682     16.94891569    -12.86985516
  H     19.78713676     15.26922823    -15.09657242
  O     18.50870778     15.09736265    -11.80185528
  H     19.34138884     13.13892906    -15.32445872
  H     18.51472043     15.28954400    -15.97900459
  O     17.40884040     11.58293135    -16.85308639
  H     20.29527231     11.93659416    -15.13787960
  H     19.75636275     16.74816115    -20.35334575
  O     19.34739473     14.82402796    -15.83444396
  H     18.11968488     14.93894259    -19.62837191
  H     20.03924899     15.91969397    -19.07805927
  O     19.34274628     16.38290200    -19.57483490
  H     16.95544788     14.19387351    -18.92027382
  H     16.67939712     16.16661846    -15.10869285
  O     16.93945112     16.18765338    -16.03714856
  H     20.46658849     14.95364304    -17.23139365
  H     16.50000297     15.45171252    -16.48730536
          69
 Ord_Energy   -248.652161    
 O    2.21128273     -0.946898162      -3.82462978    
 H    1.27706969     -0.684184849      -3.77797222    
 H    2.48958445     -0.800692379      -4.72549152    
 O   -1.24655545      0.947923243      0.142395765    
 H   -2.05868578       1.05955398      0.654380202    
 H   -1.51252365       1.01807356     -0.782897651    
 O  -0.668452799      -2.44514585      -1.58948302    
 H   0.132326692      -2.91551423      -1.86374128    
 H  -0.464331448      -2.07220149     -0.722871542    
 O    1.17643559      0.246210217       3.05059910    
 H    1.79044366      0.754282534       2.49873996    
 H   0.755446851     -0.380510420       2.45391440    
 O   -1.46844983       3.67376089       2.74869728    
 H   -1.31470525       2.96930599       3.38832712    
 H  -0.732457459       3.62300539       2.12170148    
 O   -2.61473346       3.81037092      -1.59402680    
 H   -2.92384624       3.95988011     -0.692761719    
 H   -1.71668899       4.16205454      -1.64387679    
 O   -3.82537723       1.25751221       1.22597623    
 H   -3.88721013       2.21945071       1.16068232    
 H   -4.24616718      0.869615972      0.448137403    
 O   0.144703254       4.47512817      -1.74149394    
 H   0.474163145       3.61497593      -2.06397200    
 H   0.632522881       5.15013933      -2.20470762    
 O    1.00484169       2.02033138      -2.42163253    
 H   0.454870611       1.31472051      -2.78038287    
 H    1.70571828       1.56673265      -1.93695033    
 O   -3.57574725       4.03606176       1.11192334    
 H   -4.12132263       4.75859928       1.41058254    
 H   -2.83444643       3.96378088       1.74134445    
 O    2.67347360       1.67069840       1.21630847    
 H    1.96618414       2.31307364       1.05905223    
 H    2.91118646       1.32364476      0.350458354    
 O  -0.836240053       1.44985282       4.42359495    
 H  -0.589883089       1.54548979       5.34013271    
 H   -7.11353123E-02   1.05345249       3.97028995    
 O   0.369230151       3.18641353      0.737145126    
 H   0.342954874       3.76186180      -3.68386917E-02
 H  -0.143418327       2.39668512      0.508767307    
 O   -2.53271651       1.20763075      -2.38152838    
 H   -2.61755705       2.15795541      -2.20549059    
 H   -3.33382726      0.780554056      -2.05550933    
 O    2.94375539      0.287166685      -1.34000111    
 H    2.86796451      -7.42453784E-02  -2.23250890    
 H    2.86077762     -0.476549089     -0.753773332    
 O    1.89081800      -3.27544761      -2.16815543    
 H    2.12413907      -2.59380126      -2.81131697    
 H    2.26964474      -2.98368549      -1.32936299    
 O   -2.84739375     -0.235624596       3.34061527    
 H   -3.30406237      0.315983027       2.68969178    
 H   -2.20669937      0.333892882       3.78292537    
 O  -0.437646002     -0.264497757      -3.32824540    
 H   -1.23750949      0.265112936      -3.19663262    
 H  -0.549825311      -1.04346919      -2.76490164    
 O    2.56927347      -1.97459972      0.319435388    
 H    3.09713697      -2.03010654       1.11347890    
 H    1.66186595      -1.78326154      0.605126202    
 O   -3.26681662      -2.31043386     -0.506189167    
 H   -3.02341723      -2.46247602      0.414777368    
 H   -2.47075081      -2.48510933      -1.02500987    
 O   -4.84210886E-02  -1.35096741      0.980098486    
 H  -0.745145738      -1.84223747       1.43704700    
 H  -0.421266079     -0.503778160      0.685470819    
 O   -2.23721313      -2.55724669       2.16459346    
 H   -2.38476133      -3.29494667       2.74966002    
 H   -2.50018048      -1.75112557       2.64717221    
 O   -4.68902683      -9.41939279E-02  -1.09089530    
 H   -4.21929789     -0.925953388     -0.895642042    
 H   -5.54667377     -0.333224922      -1.43159342    
          69
 Energy    -248.65189806320222     
  O     15.03214948      9.68451871    -15.95083859
  H     15.66753101      9.35175702    -15.30124511
  H     12.20200878     10.45906742    -14.04413683
  O     14.40166951     13.16882176    -14.86865534
  H     14.30620574     10.04448815    -15.42919167
  H     16.17430326     10.40946718    -18.80217552
  O     19.67238103      9.56027753    -11.16738431
  H     15.28449679     12.80133856    -14.70408468
  H     15.80274984     10.48678960    -17.30559160
  O     20.50586344     11.91233018    -12.29199248
  H     13.78539542     12.47619831    -14.60785466
  H     20.94143671     16.06553365    -14.04821007
  O     14.19927602     10.52302619    -11.57707416
  H     20.04705016     10.40321755    -11.47688102
  H     19.72775068     15.86686871    -13.12044113
  O     16.97555942     10.45385557    -11.30104914
  H     20.27547266      9.21392023    -10.51441186
  H     19.87666592     11.55618339    -15.63794511
  O     16.89359727      9.29094432    -13.92482494
  H     20.49002705     11.70799060    -13.23938952
  H     21.29241783     11.95065120    -15.12269037
  O     15.07770185     13.53002928    -17.55938091
  H     21.16988011     12.59990042    -12.15646119
  H     15.87345690     15.05256296    -17.43024387
  O     18.74356960     14.85892088    -16.30668127
  H     15.15233352     10.45694493    -11.41613468
  H     16.02336128     16.52530554    -17.88169783
  O     22.30222970     14.02586397    -12.19376431
  H     13.81624133     10.77565474    -10.73953282
  H     20.37109486     15.48374523    -16.12501196
  O     18.39737837     12.13568885    -16.60183520
  H     17.19116199     11.38744982    -11.44271890
  H     21.53189592     16.39443811    -16.59074455
  O     13.09755980     10.78398925    -14.09485662
  H     17.81757724     10.02120368    -11.11247801
  H     18.31735655     15.04573336    -14.45726360
  O     16.25560289     10.95902787    -18.02720349
  H     16.81537934      9.52620075    -12.99323833
  H     17.07540045     15.54336877    -13.70863796
  O     20.68660926     15.98357819    -13.12001183
  H     17.81919313      9.03953768    -14.06600121
  H     22.57577343     13.53272574    -14.07374261
  O     20.56429445     11.32289498    -15.00155110
  H     14.70904917     13.39378834    -16.67492845
  H     22.12666750     14.15471642    -15.40260314
  O     16.32922862     15.89288658    -17.23754491
  H     15.45910213     12.68451307    -17.82078007
  H     19.73273736      8.93878246    -13.05292278
  O     21.26935892     15.78625848    -15.90490778
  H     17.95627444     15.28640263    -16.66913010
  H     20.03973298      9.60335064    -14.41483627
  O     17.99338880     15.26611276    -13.57415786
  H     18.67805773     13.91576149    -16.51130806
  H     16.83794812     11.08149769    -14.27898700
  O     22.44477348     13.33303045    -15.00821943
  H     22.96613304     14.38689002    -11.61318955
  H     17.25162397     12.39983895    -13.55755392
  O     19.59359561      8.85084614    -14.00293900
  H     21.72054823     14.76451003    -12.45111572
  H     14.94454786     14.94961110    -14.50017139
  O     16.86900952     12.04358815    -14.36877166
  H     17.86333974     12.16521277    -15.79038947
  H     15.67222096     15.97208014    -15.38269182
  O     15.44515814     15.77586225    -14.46585922
  H     17.83081178     11.70760023    -17.25317853
  H     18.87614039     12.68003165    -12.04458345
  O     17.95976084     12.98923547    -12.00514652
  H     13.48613793     10.66463233    -13.21192069
  H     17.94521384     13.86741015    -12.41205817
          69
 Energy    -248.65169747957137     
  O     19.68713457     10.19825944    -13.39520303
  H     18.79927461     10.50675404    -13.63260180
  H     14.78813913      9.61484991    -12.69171269
  O     21.28419418      6.53574504    -13.18941774
  H     19.95477031      9.56398383    -14.06708639
  H     16.61662379      6.80139328    -13.33904778
  O     16.68329612      6.11619971     -9.92111681
  H     21.01111854      7.08266809    -13.93382874
  H     17.53209286      7.69884453    -12.44872673
  O     13.41639608      9.48501561     -9.89407132
  H     20.63215520      5.82546464    -13.12547021
  H     14.51343453      9.04371899    -14.84973455
  O     17.08341563     10.93260925    -13.95280184
  H     17.53978093      5.70967653     -9.74234775
  H     14.30726950      7.76027590    -14.03139388
  O     12.23765724      7.94306144    -12.00719146
  H     16.87625660      7.01437026    -10.23064602
  H     19.82100200      4.63203417     -9.15370614
  O     15.13443368      4.59241684    -11.69856849
  H     13.72843199      8.64027335     -9.52252523
  H     19.86106962      5.94293251     -9.97653171
  O     19.06820758      4.84514551    -12.58500651
  H     13.01900307      9.97102669     -9.17666096
  H     17.75972031      7.33211678    -14.90286105
  O     16.92857715      3.43120865    -13.63623650
  H     16.67951428     10.50940843    -14.71866310
  H     17.40397017      6.42648607    -16.09465802
  O     16.45051622      4.75906701    -15.94423628
  H     16.45564293     10.82424488    -13.22779030
  H     15.05379963      6.68103233     -9.18499570
  O     20.34739489      8.20126649    -15.38610396
  H     12.50928329      8.55136014    -11.30809132
  H     13.57947955      6.41271154     -9.53699871
  O     15.20581610     10.09869937    -11.96423029
  H     12.67917895      8.24881640    -12.80874561
  H     20.49787986      8.19088249    -10.53959385
  O     17.52747540      7.09303586    -13.19978421
  H     14.22807769      4.74272660    -11.39909126
  H     21.06917622      7.08334385    -11.45656450
  O     14.04118702      8.69250362    -14.08677975
  H     15.71126069      5.07055283    -11.08492657
  H     19.79197427     10.04341459    -11.70292552
  O     19.31928539      5.15770183     -9.77036874
  H     18.55341587      5.64447021    -12.77613144
  H     20.08617026     10.71234708    -10.33688175
  O     17.75075991      7.29958562    -15.87574201
  H     19.17351317      4.81488321    -11.62583967
  H     14.96019899      5.55699161    -13.19261426
  O     14.15640119      7.01151011     -9.04740445
  H     16.27913678      3.61046508    -12.94552421
  H     15.34393708      5.66396540    -14.70374850
  O     20.78051911      7.27023462    -10.55073168
  H     17.77014395      3.76280893    -13.29038363
  H     15.88448444      9.73598885    -17.01173265
  O     19.74216224      9.91868351    -10.73628725
  H     16.17316215      4.15576271    -16.62847909
  H     16.56130195      8.67825830    -16.11271910
  O     14.98640975      6.15436568    -13.95373453
  H     16.67822912      4.21309764    -15.16882483
  H     11.74059571      5.05795209    -10.77823042
  O     15.92394013      9.40971346    -16.11564683
  H     19.49543216      7.87186938    -15.70939840
  H     12.42374223      6.31511544    -11.36459440
  O     12.58958045      5.47367510    -10.90323940
  H     20.89545833      8.34456371    -16.15477106
  H     18.09376063      9.12570450    -10.76521748
  O     17.28816004      8.61486916    -10.91461568
  H     14.59698992     10.04003927    -11.21692499
  H     16.59523736      9.20933332    -11.23287854
          69
 Energy    -248.65167840547696     
  O      9.22394712     10.70007153    -12.41690902
  H      9.82742436     10.26937711    -11.78559389
  H     15.08819994     14.27653493    -12.79250369
  O     13.90486338      9.86060993    -12.91776058
  H      8.33806846     10.53023763    -12.10788412
  H     18.94407483     10.79564835    -14.03900744
  O     14.03788764      6.46607240    -14.13851398
  H     14.76527749      9.62411696    -12.55247651
  H     17.45956570     11.04181168    -14.39689715
  O     10.64956233     12.77045311    -13.64345060
  H     13.30366148      9.10597710    -12.84368830
  H     12.67715518     11.65250648     -8.83518850
  O     14.44231663     15.78981924    -13.70186287
  H     14.85102032      6.45507905    -13.61904919
  H     12.86893746     11.61551889    -10.36852552
  O     16.13815166     12.12453444    -14.81344334
  H     14.27218428      6.85983347    -14.98691031
  H     17.20161135      7.33638842    -14.35115962
  O     12.80975371     12.19020834    -12.03405434
  H     10.98688244     12.33202244    -14.43989057
  H     17.71116537      8.69280532    -14.87965999
  O     14.18789085     10.31406337    -15.58185109
  H     10.03910769     12.15584008    -13.21656439
  H     14.95243816     11.33417828     -9.98396043
  O     16.50326326      6.72201909    -12.68174513
  H     13.50951088     15.59272738    -13.90418661
  H     15.73492736     12.21272545    -10.99189066
  O     10.98824599      9.40458261    -10.79371917
  H     14.48666542     16.71861312    -13.49156074
  H     11.91984807     12.38898431    -16.41414897
  O     12.53312676     14.04616002    -17.05987145
  H     15.44933698     11.53080509    -15.14767009
  H     12.60322692     11.12827294    -15.85211522
  O     15.22884176     13.37511616    -12.47768923
  H     15.82517649     12.51737869    -13.98497207
  H     15.10268949      7.38341173    -17.35540053
  O     18.08873256     10.37484759    -14.07296030
  H     12.04318527     12.44738091    -12.55894787
  H     15.91767276      7.81153943    -16.10952423
  O     13.04483960     11.12869119     -9.54398172
  H     13.13749785     11.34291640    -12.37794107
  H     14.96892136     14.97928575    -15.36381400
  O     17.38142782      7.83068664    -15.16134277
  H     14.06005448     10.11270215    -14.64106372
  H     15.56102920     13.63793204    -15.82452961
  O     15.82090440     11.46820513    -10.38244977
  H     14.43141938      9.48577530    -16.01293910
  H     10.82280553     10.01190214    -15.19729580
  O     11.74969729     11.58145415    -15.91326038
  H     16.49193333      7.61718605    -12.30251703
  H      9.93496150      9.77174669    -13.96181972
  O     15.02936427      7.81677699    -16.50920179
  H     16.85379695      6.14300631    -12.00965225
  H     17.09891881      9.72607798    -12.62586462
  O     15.07116380     14.40880526    -16.13614487
  H     11.37259213      8.73835236    -11.38211709
  H     16.35332387     10.05394880    -11.29668975
  O     10.48270776      9.32131754    -14.61691618
  H     11.71406872      9.80211060    -10.30315059
  H     12.02123191     14.87407052    -15.40094537
  O     16.50301972      9.36169439    -11.95864386
  H     12.43970554     14.42786655    -17.92865923
  H     11.37465772     14.44795948    -14.07580231
  O     11.92234538     15.13513632    -14.47665349
  H     13.46920630     14.14423827    -16.80976401
  H     11.48388288      8.24873386    -13.56092057
  O     12.04360721      7.85245204    -12.87455408
  H     14.34203116     13.01445359    -12.32048757
  H     12.64581366      7.22816945    -13.30455985
          69
 Energy    -248.65148963980471     
  O     12.14939945      4.20239052    -12.12803238
  H     12.82131625      4.04337594    -12.80083940
  H     16.35157728      8.07231530    -10.58361332
  O     16.10913806     10.35916997    -15.21817438
  H     11.54469933      4.87314849    -12.48044107
  H     15.09194303      7.70913669    -12.22250646
  O     18.19879747      8.02594780    -13.33335007
  H     16.78923073     10.66437537    -14.60761324
  H     13.62522495      7.84555480    -11.79074941
  O     15.31016171      9.25297724     -9.54287410
  H     15.27346938     10.50523128    -14.75399102
  H     10.47100035      6.99818195    -12.36212499
  O     11.26361242      9.79196220    -13.53001799
  H     18.80910822      7.27739384    -13.34443641
  H     10.74801045      6.68820684    -13.84409768
  O     16.73261039      3.05819422    -15.06461694
  H     17.57085671      7.88719602    -14.05890844
  H     20.54597632      5.37003489    -13.35617664
  O     11.41977233      7.61480419    -15.38670233
  H     15.37088286      9.46660503     -8.61463439
  H     19.07472189      4.97788088    -13.08213407
  O     15.65741406      4.78396118    -11.25719142
  H     14.45261593      8.81383454     -9.67009060
  H     14.05258838      5.64156291    -14.63165084
  O     17.98985744      5.33723646    -15.83577545
  H     11.28025423      9.14438230    -14.24538691
  H     13.94875039      7.06711972    -14.05929271
  O     15.69987784     11.38967935    -11.47961279
  H     12.12520746     10.23156709    -13.54270325
  H     18.19273564      9.80895486    -13.13039131
  O     13.93451934     10.54378247    -13.42665293
  H     16.88808461      2.35603229    -15.69015552
  H     18.87046791     11.19671967    -13.13192466
  O     16.58584792      7.36287900    -11.19469213
  H     17.15503934      3.85799487    -15.42663679
  H     16.31598332      8.60930979    -15.53468443
  O     14.20785279      7.90397412    -12.55720721
  H     11.14744392      7.54562081    -16.29820873
  H     15.56045377      7.26049350    -15.36247291
  O     10.56075579      6.27518976    -12.99290424
  H     12.30787483      7.22439068    -15.33018922
  H     17.20531130      3.99802299    -11.99169253
  O     19.64615147      5.65882044    -13.48114833
  H     16.03868664      5.67274195    -11.19476773
  H     17.55720704      3.36388930    -13.35307376
  O     13.90379626      6.56164335    -14.88764035
  H     14.88773869      4.78214000    -10.67741043
  H     10.79596791      9.08281222    -12.02992851
  O     18.02456034     10.76213698    -13.05191661
  H     18.67138660      5.47292177    -15.16714558
  H      9.74029135      8.93902497    -10.90822845
  O     16.43845761      7.65087402    -15.45647116
  H     17.47290725      6.15412944    -15.85782866
  H     15.17040217      3.64951939    -14.25239396
  O     17.94675674      3.75474249    -12.56082496
  H     15.60422731     10.71758472    -10.79500791
  H     14.90499710      4.36894025    -12.90806636
  O     10.56133695      8.57644627    -11.23015301
  H     16.53706973     11.21206258    -11.92757194
  H     12.91889339      4.46352981     -9.10842853
  O     14.49257542      4.11336419    -13.74609141
  H     14.02371774      9.61034196    -13.18441980
  H     12.75773106      4.70851048    -10.62901716
  O     13.18870502      5.04029093     -9.81802936
  H     14.44512470     11.02393231    -12.75908709
  H     12.98830028      6.87621351     -9.91094327
  O     12.96935824      7.83226082    -10.05646443
  H     17.23164493      7.68320307    -11.83832331
  H     12.08072463      8.08420360    -10.34377853
          69
 Energy    -248.65140917448747     
  O      2.19891218     -1.18769432      2.32157333
  H      2.99102110     -1.68868155      2.49434517
  H     -1.18230469      0.15155419      5.38797347
  O     -3.47988884     -0.09229909     -3.24750382
  H      2.07570355     -1.20603896      1.35636108
  H     -0.02421509      3.43376516      0.96758128
  O     -4.73323667      0.29964681     -0.81314683
  H     -2.59993830      0.25357911     -3.04861061
  H      0.87879483      2.32383155      1.53405448
  O     -3.17400284     -2.86866714     -2.49497194
  H     -3.39848716     -1.05156141     -3.17757129
  H     -3.41891529      1.47758584     -0.40984726
  O     -0.80664315     -2.04085765     -1.15392277
  H     -4.58701444     -0.60010080     -0.49076369
  H     -1.97418879      1.59673942     -0.95443768
  O     -2.25789368      2.96089657      3.98769316
  H     -4.46015899      0.28201240     -1.74218198
  H     -1.92909894      0.87749929      1.03870607
  O     -4.61166656     -2.18480154      3.83517836
  H     -3.48827531     -3.66916828     -2.90756750
  H     -0.84278660      0.57018947      2.12730571
  O      0.74663637      1.06043376      2.81209728
  H     -3.66122298     -2.77438149     -1.65852415
  H     -3.51899338     -2.43524599      0.53287973
  O     -0.96648873      0.61845486     -2.07828625
  H     -1.09349223     -2.23781565     -0.25051231
  H     -5.07732572     -2.50002053      0.54151381
  O     -3.81626754      0.57872847      3.51551729
  H     -1.47738584     -2.42128206     -1.73347267
  H      0.96985526     -1.51733720     -0.72085799
  O     -1.84626562      4.00101995      1.34631138
  H     -2.95544450      2.30389780      3.87705545
  H      1.77407505     -0.19911519     -0.74492325
  O     -1.82641246     -0.55187284      5.24720258
  H     -2.11249920      3.35328024      3.11771521
  H     -0.92872722      2.28934783      4.90022224
  O      0.78383577      2.94053611      0.79298054
  H     -4.40420647     -1.24218524      3.81683062
  H      0.08348528      2.32407112      6.07173873
  O     -2.58123867      1.94402946     -0.28506063
  H     -3.76907477     -2.63179533      3.97475330
  H      1.30891319      2.11812027     -0.63542689
  O     -1.69965842      0.29614837      1.77352070
  H      1.30008923      0.26728815      2.75229430
  H      2.26265480      2.06652542     -1.85329708
  O     -4.30643368     -2.39395917     -0.02952481
  H      0.58055156      1.26706933      3.73889028
  H     -1.46367862     -3.68387391      4.67817093
  O      1.76272300     -1.08976622     -0.37442008
  H     -0.08234387      0.99792129     -1.99788583
  H     -1.76784421     -2.17274950      4.56405903
  O     -0.21262230      1.79285267      5.33795569
  H     -0.90923514     -0.28518159     -1.73636282
  H     -1.82980336     -2.75670367      2.26072235
  O      1.56249848      1.59111901     -1.41470045
  H     -4.60514950      0.66090029      2.95863235
  H     -1.81486417     -1.41099220      1.50813641
  O     -1.89458938     -3.03495722      4.12865016
  H     -3.06280550      0.45277000      2.91623457
  H     -7.18328257     -2.87513234      2.08341676
  O     -1.91591215     -2.36887677      1.38321668
  H     -2.20383019      4.83857085      1.06086238
  H     -5.79681459     -2.41707134      2.60166232
  O     -6.39350133     -2.40555886      1.83047092
  H     -2.17911377      3.33058946      0.72495220
  H     -5.64039391      0.59173131      0.82952790
  O     -5.91520486      0.46116323      1.74657478
  H     -2.59776852     -0.11692426      4.86322398
  H     -6.25996677     -0.43903220      1.78067020
          69
 Energy    -248.65098733446888     
  O     16.83158852      8.14309069    -14.32201352
  H     16.76165818      8.76690558    -15.06101992
  H     17.75697086      7.94090934     -9.38155259
  O     12.37657235     11.25235110    -10.11341901
  H     17.59533601      8.37108785    -13.77792711
  H     13.81745006     10.08755264    -10.17375251
  O     11.00547472      9.89411269    -11.99899270
  H     11.80750048     11.52343235     -9.39831297
  H     14.63185276      9.60757546    -11.40238299
  O     15.18468893      6.10824362    -13.57619051
  H     11.82479885     10.74545916    -10.73835062
  H     18.50585694      5.59236717    -11.96447397
  O     18.73040557      8.81678355    -12.41121775
  H     11.09740425     10.35268808    -12.84288140
  H     18.84769386      6.40848513    -10.70353894
  O     17.25074025      9.49361468    -10.09850108
  H     11.13263330      8.95275174    -12.16785875
  H     15.53975922     11.53031617    -12.87302605
  O     11.51565258      7.12890173    -12.37699316
  H     14.76331081      6.42821814    -12.76634522
  H     16.35759465     12.61705420    -13.59313411
  O     16.29503286     10.09937939    -16.15065623
  H     15.78724966      6.80185551    -13.89026681
  H     17.11238275      3.58695534    -12.88952844
  O     12.91212463      7.35472386    -14.86411784
  H     19.01279309      7.90694393    -12.23297048
  H     16.39491474      4.95376949    -12.93558241
  O     13.53692367      9.97505730    -15.40834483
  H     18.17661525      9.07624132    -11.66225476
  H     15.68601198      9.23504868    -13.40098072
  O     11.55032751     11.58639139    -14.24726290
  H     17.52397705     10.40966643    -10.25385916
  H     14.37528267      9.92366114    -13.80735462
  O     17.99882516      7.04248377     -9.10069088
  H     16.28381543      9.47872186    -10.12426545
  H     20.54466573     11.25744767    -13.35404208
  O     14.50637934      9.47126955    -10.44781418
  H     12.33890868      6.96822691    -11.88454202
  H     19.34486150     10.33473864    -13.05254857
  O     19.12275849      6.24763095    -11.61563106
  H     10.91932718      6.41880521    -12.15211050
  H     18.35657469     11.99653788    -14.45289642
  O     15.81122301     12.45938727    -12.81392932
  H     16.66546250     10.93038206    -15.83336945
  H     18.04040618     13.06594694    -15.52172700
  O     17.06264731      4.43515850    -12.45620548
  H     15.33569620     10.15517697    -16.03704273
  H     14.52545413      6.25010320    -10.64585016
  O     14.99733309      9.82690023    -13.07418011
  H     12.31486495      7.27728559    -14.11016131
  H     14.10287150      7.73942071    -10.80140949
  O     19.59097823     11.23218999    -13.33666149
  H     13.68023602      6.82036625    -14.62994503
  H     18.62730656     11.88746318    -11.68932800
  O     17.64006325     12.39682296    -14.97093898
  H     13.25821436      9.04774015    -15.33706846
  H     17.15590416     12.26873400    -11.50569331
  O     13.93126204      6.84510318    -11.12612921
  H     12.79097829     10.53085445    -15.15214796
  H     14.02054279     12.89740322    -12.51369065
  O     17.94230925     11.98373537    -11.01958940
  H     12.08787014     12.11330444    -13.62807378
  H     12.90167761     12.44559584    -11.54471708
  O     13.06204775     12.87201064    -12.39530276
  H     10.90734137     12.17974537    -14.62655086
  H     16.57571502      5.86897717     -9.59289091
  O     15.89289098      5.31454716     -9.99045115
  H     18.38148716      7.12258328     -8.23047964
  H     16.31454410      4.87584403    -10.73997993
          69
 Ord_Energy   -248.650070    
 O   -2.61272907       8.98477840       4.79838753    
 H   -2.11195874       9.76893044       5.00693703    
 H   -2.28388762       8.66535854       3.93900824    
 O   -5.31445980       4.51495981      -2.21724796    
 H   -5.68179750       5.26806736      -1.73445213    
 H   -5.61057711       3.73131919      -1.74149537    
 O   -5.39893246       8.55911350       4.74476624    
 H   -5.55136442       8.09125328       5.57656050    
 H   -4.47625685       8.84683418       4.75267982    
 O   -6.20586205       6.51142454     -0.441490382    
 H   -6.83784389       7.20179462     -0.204582646    
 H   -5.34168959       6.77680826      -9.59390178E-02
 O   -4.80783510       6.28884411       3.20589709    
 H   -5.08152866       7.06307364       3.71187282    
 H   -5.47569656       5.60162020       3.32407665    
 O   -4.13972187       2.53823662       3.76319408    
 H   -3.54003000       3.28264809       3.94245768    
 H   -3.88795185       1.83178222       4.35246801    
 O   -2.63727832       4.81753206       4.08243704    
 H   -1.86970472       4.96778488       3.51696301    
 H   -3.34591460       5.39729977       3.75976348    
 O   -9.51960278       6.08560419       1.62610328    
 H   -9.17467499       6.85765409       1.15985906    
 H   -9.59350204       6.35363102       2.55053878    
 O   -3.77573776       2.71354914      0.929165900    
 H   -4.60136080       2.53186870      0.463962466    
 H   -3.93499804       2.54077840       1.86336291    
 O   -5.51722336       6.86564159       7.00541544    
 H   -5.57332754       7.03504658       7.94240761    
 H   -4.58190346       6.67668486       6.81278324    
 O   -7.42166090       4.46105385      0.994411469    
 H   -8.26427460       4.87993622       1.22345293    
 H   -6.91506529       5.13508892      0.518219709    
 O   -2.91207266       6.55819798       6.29751539    
 H   -2.69957089       7.39118099       5.85687160    
 H   -2.70979810       5.86340189       5.65837288    
 O   -7.67887354       8.88925552       3.11341095    
 H   -8.32488251       8.34167099       3.57873797    
 H   -6.88571262       8.89534473       3.66249919    
 O   -6.48008537       4.10004091       3.57075882    
 H   -5.77224779       3.44635820       3.62191701    
 H   -6.82133865       4.11679411       2.66508865    
 O   -2.15491390       4.74857140      0.141143590    
 H   -2.70714402       3.99815106      0.412088692    
 H   -2.17804217       4.78995705     -0.825255394    
 O   -7.65538883       5.57610655       5.61147070    
 H   -6.92283154       5.93607187       6.12399912    
 H   -7.27375841       4.96478939       4.96569777    
 O   -2.61304355       4.85074902      -2.54419661    
 H   -2.43537354       5.18378258      -3.41908717    
 H   -3.57510948       4.71357346      -2.49941969    
 O   -9.49236965       7.06773567       4.31508732    
 H   -10.2582903       7.18802118       4.86976957    
 H   -8.86416340       6.52065325       4.81945372    
 O   -3.76336360       6.96463251      0.763382614    
 H   -3.22908449       6.21110773      0.475227594    
 H   -4.16479015       6.71775484       1.61200988    
 O   -8.10354519       8.34621239      0.502758682    
 H   -7.88754368       8.59433842       1.42003000    
 H   -8.47922993       9.12012959       9.15900096E-02
 O   -6.26301956       2.43573380     -0.422721386    
 H   -6.78129292       3.08312273       8.52506235E-02
 H   -6.86143303       1.73350883     -0.664318323    
 O   -1.74395919       8.01826191       2.42870593    
 H   -2.42696095       7.86894751       1.76165676    
 H   -1.20163572       7.22093344       2.41287041    
 O  -0.588660598       5.40473175       2.24340606    
 H   -1.08105636       5.15210438       1.44102025    
 H   0.309107840       5.10940456       2.11934400    
          69
 Energy    -248.64998295903004     
  O     15.70192731      6.19655608     -8.50918835
  H     14.75338416      5.98002842     -8.56675507
  H     11.06482487      8.06654426    -14.57532005
  O     13.19917763      5.01635990    -15.84402423
  H     15.94225639      6.12021835     -7.58927510
  H     12.42652608      6.88367926    -13.58409370
  O     16.49490525      6.72659783    -15.01609714
  H     13.92200681      4.51927022    -15.44149365
  H     12.08475930      5.90093493    -14.72785418
  O     14.40290323     11.26790746    -14.54480238
  H     13.63049464      5.69384783    -16.38034565
  H     16.40748159      9.24276237    -12.92473177
  O     10.56823698      5.83947067    -11.57351118
  H     16.31852379      7.56383901    -14.56192685
  H     15.42733262      9.87557282    -13.97098110
  O     16.63863633      4.88469055    -10.82300351
  H     15.99435053      6.79274494    -15.83999166
  H     13.43544012      8.05139188    -11.90311187
  O     12.25674983      3.72475319    -10.68664758
  H     14.51597867     12.20556788    -14.66926650
  H     14.48145745      7.98645886    -13.04015770
  O     17.56443423      9.13962089    -11.48309110
  H     13.63811643     11.15014971    -13.95040625
  H     12.78079458      4.89864162     -9.28769509
  O     12.27677756     10.73014456    -12.99382808
  H     10.83799753      6.01140825    -12.48480500
  H     12.40230963      6.33104906     -8.87948974
  O     17.47389581      3.03720451    -12.77258286
  H     11.01650318      5.02632276    -11.30837764
  H     14.07487155      5.78095328    -12.25489372
  O     13.30031798      9.28666981    -16.30118628
  H     16.47428430      5.29293977     -9.96513023
  H     14.59772792      4.51983345    -13.00546392
  O     10.87462637      8.99134555    -14.80881843
  H     15.77214913      4.84044332    -11.25536886
  H     14.18599452      7.89167686    -16.86133966
  O     11.68705253      6.50255400    -14.08303024
  H     12.24515000      2.77491867    -10.76674118
  H     14.78411554      7.17606078    -18.09352266
  O     15.82685115      9.04943265    -13.67169131
  H     12.97966297      4.04743783    -11.25442995
  H     15.92674623      5.02140155    -14.66552863
  O     13.77899817      7.48669124    -12.60740862
  H     17.80544625      8.25413168    -11.81194656
  H     16.23917249      3.64314231    -14.01702747
  O     13.06277662      5.64191978     -8.74055599
  H     18.38028546      9.60356722    -11.31571829
  H     17.56853487      6.03766447    -11.93997909
  O     14.23221138      4.82945795    -12.16568536
  H     12.43591219     10.29271492    -12.14611369
  H     17.65676905      6.54816428    -13.40114948
  O     14.67422959      7.09997524    -17.14924811
  H     11.70824074     10.14861376    -13.51326441
  H     10.80485810      6.95510851    -10.26256839
  O     15.55264495      4.14847537    -14.47342141
  H     17.28834922      3.56956436    -11.98422157
  H     10.22757781      7.68529064     -9.02584430
  O     18.01080142      6.67771265    -12.51435262
  H     18.42585356      3.00217195    -12.84130532
  H     15.52714008      7.94764259     -9.25024415
  O     11.03784566      7.51253181     -9.49774283
  H     13.73046173     10.00969880    -15.83017676
  H     16.13542920      8.96558584    -10.23426879
  O     15.37931560      8.81011543     -9.65595861
  H     12.43200882      9.19201186    -15.89118739
  H     12.23187963      8.74418967    -10.18465687
  O     12.88074584      9.25676257    -10.68257497
  H      9.96381124      9.02162883    -15.08991513
  H     13.73772514      9.18514481    -10.23288163
          69
 Energy    -248.64985917632896     
  O      0.14319369      3.21504765     -1.62012463
  H      0.63168826      2.39961776     -1.43888333
  H      1.39089411      4.95043573      4.51527509
  O      1.63162639      5.20891146     -0.19918148
  H      0.66776400      3.92784626     -1.23795239
  H     -2.52665100      1.66750517      2.17848915
  O      3.88762171      0.84022681      2.91794430
  H      2.37907268      4.94369174      0.36819949
  H     -3.29016966      1.06291210      3.33990769
  O      1.33472493      1.57551612      1.93494051
  H      1.78764232      6.11640197     -0.44625783
  H     -0.02679013      0.04020020      4.21510030
  O     -2.46882443      2.72443896     -1.14334033
  H      3.87696557     -0.05292830      2.54955414
  H     -1.13216556      0.04852760      3.11484207
  O     -2.51456588      3.38655165      1.57856830
  H      4.48626380      1.36112135      2.36730943
  H      2.79795979     -1.79264965      1.57501327
  O      1.41287874      0.88851857     -0.76288359
  H      2.22662805      1.43846902      2.27605070
  H      4.18905747     -2.45011146      1.72578721
  O     -2.42470890      0.05446677     -0.12724644
  H      0.76336658      0.94657291      2.39605081
  H      3.31847995      1.50084009      4.51950572
  O      3.58490236      4.45850171      1.49873441
  H     -1.53404365      2.92505180     -1.33339282
  H      2.07756615      1.61865800      5.44020334
  O      5.33060704      2.27689283      0.97870988
  H     -2.96902760      3.00199510     -1.90591738
  H     -3.35316477      3.44602557      3.21798519
  O     -0.25246241     -1.38919933     -0.82300413
  H     -2.63351557      3.25299957      0.63074126
  H     -4.35577464      3.88520163      4.29942018
  O      0.43103560      4.98719159      4.43874658
  H     -1.59967711      3.68476177      1.70016047
  H      0.25578115      0.50977584      6.68817040
  O     -2.72274031      0.81871391      2.60641872
  H      1.36850853      1.13145270      0.17448686
  H     -0.20633702      1.63082405      5.72412901
  O     -0.23598155     -0.25053377      3.31683492
  H      0.88319220      0.08895797     -0.86945658
  H     -2.03942462      3.11293380      5.10754762
  O      3.75618948     -1.61594412      1.56669712
  H     -2.47877121      0.93567569     -0.51869646
  H     -0.62948407      3.75718950      5.21352398
  O      2.92933337      2.02097166      5.23694492
  H     -2.65376360      0.15322609      0.80425022
  H      3.23560821      0.55946271     -0.74609552
  O     -3.66769134      3.25003165      4.11539986
  H      4.21372075      3.75133786      1.31323309
  H      4.07256941     -0.41229601      0.10339139
  O      0.36549617      0.84350139      5.80183702
  H      3.48066061      4.50337091      2.45757023
  H      0.53636784      4.54917690      1.13605700
  O     -1.16933851      3.00685138      5.50555502
  H      4.94075291      1.63029919      0.36240061
  H      0.57070232      3.20378526      1.90629224
  O      4.14366636      0.34382617     -0.49271936
  H      6.25243089      2.35514859      0.74871593
  H      0.61796840     -1.89528622      0.76904765
  O      0.10048064      4.04788481      1.83485426
  H     -1.06635798     -0.91238898     -0.58027009
  H      0.60439801     -1.51231961      2.26538334
  O      1.09335950     -2.01534070      1.60004441
  H     -0.48269008     -1.98331633     -1.53220196
  H      3.88346855      4.99471478      4.92295346
  O      3.27469998      4.55007217      4.33840202
  H      0.25435986      4.75528053      3.51612434
  H      3.15014985      3.65423456      4.69992150
          69
 Energy    -248.64926489026192     
  O     16.37702383     11.90900112    -11.32131228
  H     16.14549636     11.74302905    -12.24866817
  H     17.84043289      6.42223863    -14.70462076
  O     13.33894505      9.00363525     -8.92941082
  H     17.31907618     11.71744174    -11.25436468
  H     19.30342337      9.17459178    -10.61581090
  O     14.67899201      6.65695822     -8.15211141
  H     13.69413184      8.17652890     -8.58405618
  H     18.49377620      8.26136557     -9.67743256
  O     11.75435282     11.25795594     -8.31225356
  H     14.08566955      9.61501338     -9.00621406
  H     13.10601980     12.31860011     -7.91985061
  O     11.44537752     11.78053120    -11.13219125
  H     14.50328966      6.14087535     -8.96053119
  H     13.86017556     13.41221112     -7.12320210
  O     13.81544731     13.07348451    -10.73457369
  H     14.58085697      6.06061760     -7.41526930
  H     11.64759936      9.93974524    -11.34438199
  O     16.17306996      5.44606419    -14.82921148
  H     12.16301447     10.38365834     -8.37435011
  H     12.45747747      8.94650892    -10.48465672
  O     15.87731303     11.24822019    -13.93457073
  H     11.46782625     11.46962701     -9.20947992
  H     17.30322657      8.96506231    -12.83631403
  O     16.11163729      8.15879792    -11.69725769
  H     10.85901051     12.36373126    -11.60709854
  H     18.26754355      8.59501194    -13.97868364
  O     16.49046121      5.39456156    -12.05289454
  H     12.30401219     12.23699200    -11.07803852
  H     19.96868618      5.49628008    -11.53517163
  O     16.80829308      8.33799863     -8.95416569
  H     13.88773365     13.16923140     -9.77681339
  H     19.25985359      6.83994230    -11.26085450
  O     18.65103472      6.89639097    -14.48197528
  H     14.69530946     12.81803100    -11.03631797
  H     13.96404069      7.69969843    -14.13837585
  O     19.26291772      8.27820162    -10.26455675
  H     15.33321665      5.92909227    -14.72625608
  H     13.23174491      6.45003212    -13.66658464
  O     13.93601415     12.82588595     -7.87052592
  H     16.04189399      4.81785543    -15.53434359
  H     11.20864980      5.97837669    -12.10508941
  O     11.96802996      9.02935002    -11.31772613
  H     16.63975643     10.66198812    -14.03008330
  H     11.96755166      7.29657060    -11.85295045
  O     17.92456119      9.34486689    -13.47529453
  H     15.11826233     10.65827424    -13.82050665
  H     13.48730069      5.64641788    -11.02075159
  O     19.21380319      6.02202750    -11.78671622
  H     16.15975824      7.20931900    -11.86794573
  H     14.98633323      5.24401166    -11.00332806
  O     13.86560656      6.75602651    -14.32472785
  H     16.34310627      8.28055083    -10.76937382
  H     18.74587137     10.37329583    -12.30665822
  O     12.08210688      6.36347015    -12.09653853
  H     17.43653910      5.50021026    -11.88509886
  H     19.81124028     11.38832950    -11.83241765
  O     14.20283785      5.35007178    -10.44647469
  H     16.38355635      5.28354736    -13.00734558
  H     14.78371792      8.92531170    -12.61465120
  O     19.06178513     10.87757445    -11.53532716
  H     16.45330477      9.22647617     -8.80387736
  H     13.29029675      9.30463789    -12.60328811
  O     14.07171597      9.28614662    -13.16670957
  H     16.17030281      7.71051367     -8.59301549
  H     15.78483817     11.12915262     -9.80678889
  O     15.51470330     10.76136620     -8.95240368
  H     18.93349417      6.55255238    -13.62466956
  H     15.10663361     11.48067830     -8.45586709
          69
 Energy    -248.64887827464449     
  O     -0.56777129      2.90805966      2.50177801
  H      0.04362127      2.16110242      2.46794407
  H     -1.20766739      7.84557518      2.36440153
  O     -2.88505544      5.62598356      0.68107855
  H     -1.34810507      2.70379769      1.96989096
  H      2.00781435      1.96993577     -0.68019163
  O      3.97480618      7.18552192      0.67590834
  H     -2.11765774      6.02745539      0.25520017
  H      0.55777225      1.51515717     -0.81115916
  O      1.84760491      6.85731463      2.46805020
  H     -2.89465738      5.98250922      1.57916895
  H     -1.96461551      4.90921044     -2.54795039
  O     -0.47976048      6.72348781     -0.42649697
  H      4.61231803      7.88277700      0.54576253
  H     -0.82161291      5.70952409     -1.89524654
  O      2.61459885      3.68898141     -0.94888059
  H      3.39075389      7.19406513     -0.10265078
  H     -2.42622286     -0.01911527     -3.05644604
  O      0.82563695      4.75877637      0.91221359
  H      2.05773909      6.41920263      3.30301056
  H     -2.05702147      1.27542520     -2.30943151
  O     -2.48342978      6.69943698      3.24700883
  H      2.66753365      7.02369136      1.98547834
  H      3.60384160      3.60175906      2.49588175
  O     -0.96637525      2.40574791     -1.40966639
  H     -0.02625639      5.97394512     -0.00335410
  H      2.59813713      2.48873289      2.90083440
  O     -0.67563531      5.00217283      4.31479441
  H     -0.54878718      7.41529366      0.25014243
  H     -4.09606178      3.90959354     -1.81886789
  O     -2.70977460      2.85047063      0.74103380
  H      1.99366865      4.06565559     -0.30460107
  H     -3.64254716      5.18052297     -1.09053614
  O     -0.51555117      8.23130530      1.81382069
  H      2.39763365      4.08243598     -1.80055068
  H      1.67698082      0.14512613      2.50618765
  O      1.41309877      1.24039293     -0.45642223
  H      0.35698892      4.11471750      1.45652160
  H      1.48948065      1.04329772      1.25997564
  O     -1.00140735      5.01080357     -2.54116461
  H      1.22340554      5.40812521      1.50906140
  H      0.70171372      5.00332016     -3.15012683
  O     -2.80367003      0.75705951     -2.65148505
  H     -1.83901282      6.10340006      3.67043782
  H      1.82523079      4.96252944     -4.20834303
  O      3.06835638      3.26140257      3.22854747
  H     -3.06906783      7.00332846      3.93513963
  H      2.48714197      4.50568211      4.23977335
  O     -3.69389193      4.77365061     -1.96457667
  H     -0.87413126      3.26818504     -1.83225234
  H      2.63612678      5.30454284      5.55757962
  O      1.47833831      1.03682439      2.23401105
  H     -1.51179619      2.54850910     -0.62344451
  H      4.41537557      5.32485597      0.98581046
  O      1.66432907      5.04777689     -3.27180024
  H     -0.68080197      4.20071077      3.77194365
  H      3.96245185      4.03972149      0.28997955
  O      2.14976612      5.27346588      4.73885605
  H      0.24325497      5.13876320      4.57019002
  H     -5.53705862      1.79578098     -1.26141982
  O      4.42629148      4.36504021      1.07363013
  H     -3.46312250      2.52293549      0.23513695
  H     -4.08999087      1.57639990     -1.76343341
  O     -4.64920576      2.13767776     -1.19871918
  H     -2.79182600      3.81637868      0.76368637
  H      2.17144052      6.53416971     -2.12307976
  O      2.19907262      7.18487366     -1.41213050
  H      0.31875369      7.86000623      2.13662537
  H      1.28780282      7.25645768     -1.10556941
          69
 Energy    -248.64886353485207     
  O     11.22577325     10.24687264    -14.03000643
  H     11.76917231     11.04448048    -14.05622639
  H     14.05304236      6.00662416    -15.76801481
  O     16.14300414      6.62894390    -13.64285798
  H     11.29216450      9.84038877    -14.90066685
  H     18.59386790      7.89081185    -14.51657743
  O     17.36233941     11.33521231    -12.60904093
  H     17.09731934      6.76180433    -13.63078507
  H     19.59998200      6.79454991    -14.10469800
  O     17.59932467     11.54955593    -15.26616837
  H     15.74698306      7.46972647    -13.92358690
  H     14.61708263     11.40833479    -16.39723806
  O     12.68321049      6.98981824    -14.87346723
  H     17.74848782     11.02599537    -11.78322570
  H     15.81249480     12.02634223    -15.64658734
  O     15.89896135      9.23899819     -9.02933690
  H     16.40560640     11.22357098    -12.50496561
  H     14.70050813      9.57090076    -13.70277368
  O     14.60750517      6.52276177    -11.33383572
  H     17.57482194     11.47922164    -14.29347705
  H     14.63350632      9.27858728    -15.22906889
  O     14.65638108     10.87522447    -12.42899232
  H     18.29646671     12.16500003    -15.47836020
  H     11.05869459      9.35203962    -12.53744697
  O     15.97070419      7.70493230    -17.65376997
  H     13.35498008      7.63832184    -14.61337958
  H     10.12944373      9.06550723    -11.33600496
  O     16.67118945      6.51100911     -9.42779250
  H     12.34470974      6.60607001    -14.05267507
  H     18.72804187      7.59369544    -11.91841228
  O     17.97595599      8.80148803    -15.85910511
  H     16.11509636      8.29778184     -9.00855172
  H     18.56883127      8.58035694    -10.73639175
  O     14.95436018      5.78265440    -16.03396158
  H     15.04114836      9.29891254     -9.46799569
  H     11.55807998      7.06607535    -12.05824603
  O     18.86898407      7.31496783    -13.78090238
  H     15.23373351      6.39413469    -10.61086374
  H     12.82535713      6.19356551    -11.91104787
  O     14.87664661     12.15680443    -15.84125622
  H     15.13155872      6.48714238    -12.14705495
  H     17.33012172     10.01145948     -9.69500524
  O     14.69889064      8.86500389    -14.36059611
  H     14.23653117     10.32008398    -11.75735767
  H     18.63919068     10.78056576     -9.40972330
  O     10.99266666      8.87300823    -11.69253382
  H     14.00131720     11.47811450    -12.80017795
  H     13.27476154      9.44159064    -16.99197443
  O     18.59571410      7.64229497    -10.96456559
  H     15.61819271      6.97332830    -17.11612394
  H     14.74806083      9.05707735    -17.36985576
  O     11.96331174      6.23870279    -12.34673825
  H     16.26517004      7.32391107    -18.47686197
  H     13.95327170      8.18212669    -10.93433526
  O     18.16751841     10.31059487    -10.09239298
  H     17.38910298      6.84341635     -9.99757414
  H     12.65723174      9.03056268    -10.89807170
  O     14.18740600      9.75720835    -17.01004684
  H     17.05904046      5.86573385     -8.84338839
  H     13.64392080     12.42892093    -14.66754748
  O     13.59597086      9.04454991    -10.67436893
  H     17.31746339      8.48201323    -16.48511724
  H     12.72205565     13.41024184    -13.90357706
  O     12.96069349     12.49012482    -13.97453053
  H     17.80563062      9.74155633    -15.71814092
  H     11.87195034      8.05673459    -15.97564762
  O     11.57169173      8.80359790    -16.52527223
  H     15.46931992      5.85510337    -15.21824021
  H     10.83926258      8.48723051    -17.04740968
          69
 Energy    -248.64883608921599     
  O     12.09765065      6.49306246    -15.78921189
  H     13.05620265      6.50886413    -15.67401585
  H     12.86941706      7.66889469    -10.68607433
  O     10.77158149      9.71832987    -10.98715370
  H     11.79034929      5.63448929    -15.47515652
  H     14.24579599      4.12284279    -12.94422247
  O     16.87757832      6.16033298    -11.21380621
  H     11.48397281      9.26505907    -10.50348219
  H     13.05811145      3.79531136    -11.94114033
  O     15.39965279      8.89117529     -9.42325492
  H     10.35659274     10.31453701    -10.36948718
  H     12.95644019      5.84324446    -12.47284732
  O     17.59734988      6.88686293    -15.85455166
  H     16.74223030      7.08722172    -11.46062988
  H     11.85097123      6.93533809    -12.43817035
  O     12.02323921     10.36219334    -13.54177226
  H     16.61378405      6.06951027    -10.29059841
  H      9.93679953      8.76658193    -15.88560809
  O     15.86892857      4.72578155    -13.31599058
  H     15.70850772      8.05736195     -9.04907986
  H     11.08418007      7.83666751    -15.42459956
  O     11.91795557      3.79144761    -10.40518370
  H     15.88515397      9.01297369    -10.24996896
  H     18.56287881      6.01420066    -12.03504714
  O     18.76477779      8.51522231    -13.77888939
  H     16.63414479      6.92352146    -15.78080845
  H     19.07229630      5.41516195    -13.35987548
  O     15.95318979      6.16315911     -8.58610106
  H     17.94445218      7.55767391    -15.25399777
  H     13.59675609      9.46291516    -13.54081301
  O     13.28653775      5.69060833     -8.74918947
  H     11.47963069      9.84298410    -14.14859475
  H     13.77432883      8.02839457    -13.00758158
  O     12.78236929      8.23182929     -9.90192509
  H     11.60405587     10.28075358    -12.67692993
  H     15.77560381      8.88517437    -12.52904844
  O     13.28889313      4.00995281    -12.85330456
  H     16.19305577      5.20511953    -12.53848046
  H     17.33004662      8.86007596    -12.60695408
  O     12.78269646      6.76183795    -12.24534105
  H     16.64402734      4.47409609    -13.83222838
  H     18.05370099      5.30193393    -15.28254400
  O     10.47852590      8.54285648    -15.13390529
  H     11.19473344      4.14535789    -10.95330416
  H     18.63131399      3.87582769    -15.45718255
  O     19.28013460      6.06976630    -12.68177371
  H     11.56422464      3.03263031     -9.94744979
  H     10.16023801      8.25747069    -11.98403091
  O     14.24872201      8.75713842    -13.43621163
  H     19.05259595      7.67607853    -13.37656092
  H     10.08873423      7.83963767    -13.47670233
  O     16.58319882      8.80568102    -11.99911352
  H     19.54530084      9.05374411    -13.88173350
  H     15.15450166      6.01805168    -14.52610665
  O     18.23404839      4.46268649    -14.82012141
  H     15.00848408      5.92874098     -8.61086604
  H     14.70652963      7.50153255    -14.65350592
  O     10.08205431      7.49566665    -12.57297015
  H     16.28204602      5.89162912     -7.73351627
  H     11.19126063      3.19063398    -15.12882059
  O     14.86603392      6.68960621    -15.15813279
  H     12.95551069      6.56586031     -8.98950815
  H     12.03347089      3.92898978    -14.06045776
  O     11.25900754      4.01050873    -14.64556924
  H     12.80836479      5.05703764     -9.29635533
  H      9.86553377      5.68574205    -12.20820747
  O     10.02095152      4.73398075    -12.13917847
  H     13.66480226      8.57998828     -9.70321411
  H     10.25781133      4.44720745    -13.02951558
          69
 Energy    -248.64881421491350     
  O     11.48380025     10.58990196    -14.25807788
  H     11.20532493      9.95387452    -13.58935316
  H     19.53113945      6.97576201    -13.36224097
  O     16.16193411      6.79045100    -13.74736156
  H     11.86801396     10.07023783    -14.97864989
  H     14.35335637     12.42902127    -15.28895278
  O     17.22085525     10.69062733    -11.34842846
  H     15.75174094      7.65103929    -13.93461502
  H     15.72307558     11.88052085    -15.76860039
  O     17.05211029     10.64743686    -15.36206588
  H     17.07151574      6.95936014    -13.47871291
  H     15.66565961      9.70877830    -14.69612479
  O     12.72070948      6.31072403    -16.28672533
  H     16.28813706     10.81233165    -11.56983620
  H     14.23026627      9.12887595    -14.90411342
  O     14.82494772      8.08234441     -8.60131481
  H     17.24396692     10.25643122    -10.48734777
  H     11.65394719      8.67470662    -11.69752350
  O     14.24218088      6.28699948    -11.85470218
  H     17.07954251     10.02369732    -16.10803531
  H     10.11536973      8.54030855    -11.72505187
  O     14.53956827     10.77722546    -12.12338100
  H     17.78769805     10.46659517    -14.76935711
  H     17.81489133      7.70246756     -9.80642484
  O     16.60131726      8.92889597    -17.40269842
  H     12.48596325      6.28044842    -15.34119134
  H     18.25173331      7.02618206    -11.12746665
  O     15.65433722      5.50750880     -9.55912895
  H     12.16907997      5.66971572    -16.72657375
  H     12.80126424      6.21119265    -13.02108481
  O     15.58953584      6.47963092    -16.50888651
  H     15.00564119      7.15308158     -8.79111745
  H     11.57690786      7.10588329    -13.28511421
  O     18.80254286      7.40421866    -12.91796788
  H     14.16754114      8.36279017     -9.25141533
  H     18.33592338     10.38682115    -12.58419877
  O     14.89194713     12.27229438    -16.07280138
  H     14.94763642      6.38693982    -12.51141988
  H     19.69700496     10.74540932    -13.23346033
  O     14.96461095      9.18668678    -14.28021108
  H     14.64424735      5.89299689    -11.07174484
  H     17.56117354      9.59038654     -8.06585972
  O     10.88341887      8.61110692    -12.28667851
  H     14.68384892     10.15882699    -12.85878922
  H     16.35381832      8.91265093     -8.75312950
  O     17.91174960      6.84670649    -10.24385014
  H     14.10278560     11.54087991    -12.51801962
  H     14.46824523     11.22612956    -17.40388793
  O     12.09422976      6.38292647    -13.65749543
  H     16.28398972      8.04733887    -17.15711556
  H     14.08993148     10.98566323    -18.88511145
  O     18.95897528     10.14491045    -13.29652592
  H     15.84639197      9.39274151    -17.78292916
  H     13.68245517      9.46762834    -11.22024486
  O     17.24447904      9.27468802     -8.90808410
  H     16.50109250      5.91339641     -9.82055482
  H     13.62354405      7.89990699    -11.24379725
  O     14.27587645     10.53621446    -18.06544249
  H     15.86402528      4.68671762     -9.12244249
  H     12.52569236     11.92951603    -13.94068333
  O     13.22796237      8.69484111    -10.85441634
  H     14.63467185      6.34575183    -16.50701314
  H     12.70833366     13.43711465    -13.64141543
  O     13.18827831     12.62178080    -13.75882526
  H     15.85706149      6.41612979    -15.58302443
  H     12.77448370      8.14808424    -16.32534780
  O     12.86830515      9.09147434    -16.14269096
  H     18.90021822      8.35634333    -13.07605946
  H     13.28126310      9.51435248    -16.90690650
          69
 Energy    -248.64876341087694     
  O     16.56232977     11.69257191    -15.11140860
  H     16.79610088     12.57273193    -15.39199453
  H     16.14502826      5.36086284    -10.11431094
  O     15.03557829      5.62893384    -13.78372269
  H     16.84417830     11.60877290    -14.18114843
  H     19.75178499      9.19978832    -13.28170124
  O     14.82116391      7.68505929     -9.75221361
  H     15.45334828      6.49385451    -13.63202561
  H     19.14374832      8.56003969    -12.03184326
  O     16.05376599      7.08794156    -16.96978418
  H     15.60508814      5.17248067    -14.41335725
  H     15.92650830      8.69157783    -12.78276726
  O     10.83831838      8.91215575    -11.40898946
  H     14.61145911      6.95129801    -10.35124882
  H     16.67287240      8.39766496    -14.12634179
  O     12.74021073      7.00006303    -14.48401324
  H     15.63878197      7.40210920     -9.33371343
  H     13.58563475     10.36872102    -14.64447925
  O     15.15284415      9.82016566    -11.56628121
  H     15.14770065      7.41256429    -17.01361015
  H     14.82463907     10.96795596    -15.36377529
  O     19.19284681      5.99340425    -14.34726286
  H     16.57625078      7.82046449    -16.61191640
  H     11.86757376      6.18780642     -9.96160394
  O     10.58851992      6.44468769    -12.86886832
  H     11.21006375      8.64164632    -10.56055026
  H     11.42904174      5.69470504    -11.35250082
  O     18.29831412      6.84447941    -11.82404127
  H     10.59736774      8.09478339    -11.86360045
  H     13.66606168      9.10523443    -16.45381867
  O     16.90744594      4.85886975    -15.71503711
  H     12.89781722      7.36399158    -15.36462155
  H     12.94156111      8.47532677    -17.66664376
  O     16.93041454      5.66817198     -9.62953362
  H     13.49714027      6.43650117    -14.27029613
  H     13.67103958      5.16082521    -10.91191115
  O     19.39816658      9.41122006    -12.40982560
  H     15.05225414      9.18594451    -10.84650197
  H     14.75005517      5.26579868    -12.04311498
  O     16.27411374      7.99020741    -13.34690377
  H     14.32340894      9.81174262    -12.06719350
  H     11.98138886      8.13277564     -8.13713099
  O     13.98649101     10.51528509    -15.51164575
  H     18.44509095      5.56269104    -14.77660594
  H     13.08783853      7.91272958     -9.19049787
  O     11.94545483      5.44730408    -10.57488049
  H     18.94823353      6.12549121    -13.42050891
  H     19.82819323      7.53494229    -14.84312710
  O     13.44227534      8.25937363    -16.88448504
  H      9.85954321      6.08976708    -13.37136490
  H     20.93070440      8.41958804    -15.47472633
  O     14.61971499      5.25139525    -11.08557891
  H     11.30865043      6.61194343    -13.49993189
  H     12.92616986      8.64735614    -13.56073905
  O     12.12865341      7.88924453     -9.04810794
  H     17.56401529      7.23913421    -12.31928631
  H     12.14013784      9.47534656    -12.52185518
  O     20.07765023      8.45423458    -15.05139940
  H     17.92244525      6.43475084    -11.03752731
  H     16.59029554     10.89378449    -12.08320042
  O     12.90319778      9.50472021    -13.11654022
  H     17.02815322      4.14587639    -16.33624290
  H     18.08080067     10.67984654    -12.46574077
  O     17.32492617     11.27391615    -12.58161799
  H     16.60779352      5.63233108    -16.22855259
  H     18.38459943      8.98708221    -15.51280864
  O     17.43465892      9.09606656    -15.65257668
  H     17.18928146      4.95318241     -9.05355340
  H     17.21664071     10.03293500    -15.57047586
          69
 Energy    -248.64875643329486     
  O     19.76088323     10.66265722    -10.18745319
  H     20.69752275     10.88885545    -10.11493075
  H     18.68764045     11.14373095    -11.59000872
  O     19.27803115      4.24226763    -11.57961363
  H     19.44464672     10.36153246     -9.32639985
  H     22.77090688     10.22317996     -9.78746122
  O     20.72107687      5.67232688    -13.68697216
  H     18.43809992      4.71919556    -11.46538975
  H     23.11324038     11.72259501     -9.96251504
  O     23.06391922      8.75880558     -8.95260556
  H     19.05728998      3.32061449    -11.68819364
  H     19.23107691      7.94164586    -12.98636558
  O     16.97272237      5.68019367    -11.24481978
  H     20.08262238      6.33910291    -13.97572151
  H     19.27290902      8.74254161    -14.29724869
  O     22.48162982      7.48963570    -12.58667003
  H     20.26633542      5.14217479    -13.02260785
  H     20.22322992      5.20237296    -10.27290256
  O     20.89087513      7.72191339     -7.58360314
  H     22.34591397      8.47736264     -8.36591584
  H     20.35741266      6.73326614    -10.26915218
  O     14.24886941      7.46402766     -9.11734905
  H     23.36889195      7.95336600     -9.38270798
  H     14.56905674      6.88439087    -13.12845675
  O     23.35871165      6.21020561    -10.23438955
  H     16.79971714      6.24765459    -12.01053097
  H     13.44128492      7.53868851    -12.30993742
  O     20.02176899      8.12019341    -11.34678005
  H     16.11560430      5.33724634    -10.96080620
  H     16.44125971      9.12163647    -10.81056742
  O     18.61859699      9.42261436     -7.93645589
  H     22.94997669      7.05445038    -11.86479243
  H     16.72784720     10.22865299    -11.87890218
  O     18.10293157     11.18931353    -12.36011157
  H     21.98186270      6.80314982    -13.05504271
  H     16.22314516      8.23845597    -12.77971904
  O     22.52282071     11.03734382    -10.26321014
  H     20.71888551      6.98283782     -8.18093966
  H     17.23158133      7.54834372    -13.72141406
  O     18.99573007      7.89591763    -13.92625176
  H     20.10727004      8.28316317     -7.62223844
  H     22.45063009      9.28465130    -12.96847416
  O     20.63025429      5.93252416     -9.79283220
  H     14.17527770      6.58098578     -9.50133121
  H     22.35206735     10.57063588    -12.12036581
  O     13.71604790      6.70348471    -12.70965595
  H     13.81413117      8.05805319     -9.74244313
  H     15.99805818      7.78836557     -9.19232859
  O     16.06380101      9.59800047    -11.56105121
  H     23.86617802      5.44948274     -9.96391434
  H     17.15921693      7.14645488     -9.98876413
  O     16.36399604      7.43991071    -13.30894351
  H     22.42918197      6.01886620    -10.02381057
  H     12.84744015      9.93859570    -11.36010023
  O     22.19312110     10.21705560    -13.00284350
  H     20.90097784      8.05147329    -11.74795645
  H     14.30766461      9.43249675    -11.40863432
  O     16.92549544      7.91107068     -9.45002943
  H     19.93236322      9.00880856    -10.98172071
  H     20.75784142     10.43936689    -13.96233921
  O     13.38435551      9.15527015    -11.27449769
  H     18.12540530      9.76744619     -7.19604421
  H     20.12331216     11.00152158    -15.25492438
  O     19.92904011     10.49406392    -14.47156551
  H     18.00722049      8.86082993     -8.44347109
  H     14.01246999      5.56094569    -11.42687979
  O     14.29421662      5.03721640    -10.65405877
  H     18.66200787     11.02188350    -13.12710776
  H     13.73213848      4.26817641    -10.62108109
          69
 Energy    -248.64866369118135     
  O     13.61753559     12.15553824    -16.82679919
  H     13.06640483     12.00461271    -16.03780830
  H     16.04055862      8.09767838    -19.08315983
  O     15.04482779      7.28502272    -13.83101752
  H     13.30223141     12.96521426    -17.22065905
  H     17.83627701      7.69562621    -12.02077358
  O     16.09903968      9.91636194    -10.33614470
  H     15.15539525      8.21620808    -14.08134720
  H     18.73233553      8.94938551    -11.90701375
  O     17.54475871     12.16555636    -12.80301241
  H     15.44373990      7.18851418    -12.95551721
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  H     16.05935838     10.19504852    -14.94816207
  O     12.39112099      7.94045750    -13.24139846
  H     17.67371075     11.81299421    -13.69510354
  H     14.62849813      9.80650903    -15.44900706
  O     14.85064112     11.33724669    -12.35625433
  H     16.59675356     12.11513070    -12.62743050
  H     11.51305788     10.60085691    -15.09794992
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  H     13.48671715     10.36074820    -17.16422570
  H     11.99482178     11.32679930    -13.84159540
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  H     14.23070052      9.04212297    -17.55562614
  H     14.06841701      5.42364184     -9.04552533
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  H     11.15786464     10.05237037     -8.73804953
  H     13.35248765      6.46986556     -9.93156267
  O     15.81721558      8.56188294    -18.28135217
  H     12.56637239      9.52377599     -9.09717222
  H     12.04230660      8.86944794    -16.22505921
  O     18.59186306      8.14371133    -12.42029608
  H     11.92324821      8.10565440    -14.06878375
  H     10.56969378      8.39120814    -16.25405761
  O     17.73280624     10.86169680    -15.26996890
  H     13.27420551      7.61798207    -13.46798856
  H     18.39188972     11.21253022    -11.63379412
  O     15.18623865      9.88633755    -14.66919572
  H     13.91667444     11.22176509    -12.14028843
  H     19.45552250     11.05303846    -10.51879659
  O     11.91907317     11.42324169    -14.79887721
  H     14.97074151     10.85203863    -13.18649364
  H     16.09928534      8.20851903    -10.96667157
  O     14.20357144      6.24162797     -9.51594844
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  H     15.55911070      6.79239739    -10.68356827
  O     11.24595096      8.74129026    -15.68010759
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  H     14.22324342      8.02683805     -8.74108821
  O     18.75597469     10.59344654    -10.97422237
  H     11.97102858      7.28974009    -11.57183594
  H     14.86484380      9.38527386     -9.07990823
  O     16.13590220      7.29086968    -11.27495891
  H     11.65205541      7.93772937    -10.21118685
  H     15.49681871     11.67406305    -17.33906974
  O     14.14104909      8.97538332     -8.58592371
  H     19.88510732      8.07591850    -15.25947576
  H     16.18880554     10.41763064    -17.92686582
  O     16.35263145     11.30833039    -17.59091500
  H     18.85907167      8.24174467    -14.11395667
  H     11.95226362     10.38489816    -11.19310498
  O     12.22036202     10.52553840    -12.10927596
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  H     12.32673081      9.64255809    -12.49273947
          69
 Energy    -248.64788473847182     
  O      8.49557002     -3.93623328      1.27299227
  H      7.65872445     -4.04621831      0.80804561
  H      7.30201307      0.63265022      3.31391407
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  H      8.40913022     -4.35476060      2.14188153
  H      5.69972481     -3.19956550     -0.13550124
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  H      5.82866673     -4.57594013     -0.83558541
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  H     10.41221543     -1.41372193      1.51519302
  H      4.95728007     -4.35351293      1.54234043
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  H      4.93911636     -4.86541214      3.02801817
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  H      5.90996910     -0.93943172      0.12860003
  H      5.66716354     -5.25693606      5.13333062
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  H      6.58670633     -0.80322836      2.00558415
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  H      9.46062435     -5.13434235      3.96734420
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  H      8.27137429     -4.22635771      4.39094861
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  H      8.89909063     -1.60702878      4.90518718
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  H      9.48211382     -1.09140351      3.56142612
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  H      6.94901206     -3.17839680      5.86914730
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  H      8.18818301      0.48064595      4.54316090
  H      5.35240792     -1.36829593      3.70764899
          69
 Energy    -248.64751957176804     
  O     -2.77633653      4.24515245      4.17364440
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  H     -3.11454314     -1.51129874      2.43616013
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  H     -0.93389657     -1.14451539      5.90252458
  H      0.04162052      6.07548862      2.99330728
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  H     -0.97836639     -2.56561559      5.27331023
  H     -2.33365248      2.00114390     -0.99704775
  O     -0.20091928      5.19807612      3.27874280
  H     -1.75507540     -4.55518815      3.86537296
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  H      0.51072535      2.77423666      1.36255851
  O     -0.17200108      3.43481466      1.17738341
  H     -1.12046561     -0.32916983      2.46969393
  H     -0.34664609      3.40977749      0.22786246
          69
 Energy    -248.64747141126531     
  O     18.20744638      6.36129722     -9.61321003
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  H     14.30182587      4.29353583    -13.56446440
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  H     20.44758264      7.17566289    -11.69068567
  O     12.07504917      3.61979477    -11.30633778
  H     15.06790137     10.57697874    -13.74969891
  H     19.08801813      7.00896023    -10.97401785
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  H     13.74633447      9.83220416    -13.99410570
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  H     12.48412580      3.78547209    -12.17058348
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  O     15.58037481      7.28182152    -11.57573112
  H     11.17268888      3.92284284    -11.37981304
  H     13.35777174     11.51052342    -10.55994740
  O     19.51486202      7.35033007    -11.78051933
  H     16.19187766      4.02987678    -16.33041700
  H     13.86904794     10.60729910    -11.70489981
  O     12.47653057      8.18218841    -10.03132787
  H     16.93805183      2.70968583    -16.59173674
  H     13.76059609      3.19130944     -8.67486556
  O     14.12196729      6.66297767     -8.40186432
  H     16.55031877      8.01476107     -6.97180569
  H     13.20222968      3.81542411     -9.97219683
  O     13.41282436      8.14900570    -14.95466069
  H     15.60738175      7.42181016     -8.04719036
  H     18.25339866      6.76148843    -13.05557022
  O     13.75548439     10.66235424    -10.73890368
  H     12.88738255      6.63216402    -15.76782277
  H     16.73662667      6.93090729    -12.85648920
  O     13.86431005      3.92996927     -9.26978996
  H     11.99857479      5.73689491    -16.66122560
  H     15.43573777      4.35883016    -10.14509178
  O     17.40318812      6.59011551    -13.47566344
  H     14.55670450      5.56329231    -16.74779641
  H     16.18541108      4.33108919    -11.51538626
  O     16.20043687      4.70269257    -10.62284856
  H     15.81207273      6.43428585    -16.57964260
  H     16.27969929      3.63655533    -14.19087285
  O     16.11468511      4.12827939    -13.37307104
  H     16.65650254      7.43679888    -14.86008523
  H     16.61163386      4.95426344    -13.46360945
          69
 Energy    -248.64701790644170     
  O     11.65378825     10.45319238    -11.65550006
  H     10.85370548     10.56426126    -11.14908516
  H     18.76602601      8.61622893    -15.79916755
  O     15.96022246      7.64953906    -15.28853014
  H     12.00903019      9.57453902    -11.42866816
  H     14.41809918     13.03207291    -12.96753559
  O     16.97223609     11.70606568    -14.36572680
  H     15.36524169      7.56359065    -16.04352997
  H     15.59500469     12.98496883    -13.96941924
  O     12.26258730      7.62601472    -15.31710189
  H     15.63768184      8.41335385    -14.77924088
  H     14.09212236      9.91913153    -14.03685780
  O     17.95640385      6.88870552     -9.58872701
  H     17.20426079     11.72066937    -15.30167409
  H     15.18746902      9.83994247    -12.92784412
  O     15.35453130      6.02485849    -13.02963216
  H     16.25815661     11.05592098    -14.27565688
  H     12.53888185      7.30597334    -11.82116915
  O     15.81644512     10.10371664    -11.24030695
  H     12.82800679      7.67013628    -16.09578652
  H     13.54510761      7.82863924    -10.78264864
  O     17.42171040     11.37842697    -17.13484741
  H     12.16827297      8.53886356    -15.00849986
  H     12.42392397      6.54802064    -13.98462150
  O     18.10120726      5.70966364    -12.21575799
  H     18.44297120      7.72215000     -9.70923820
  H     11.90534481      5.29001104    -13.24594230
  O     14.65991802     10.63525804    -17.30709961
  H     18.29956557      6.48121523     -8.79759944
  H     18.45429883      9.36216704    -12.96773966
  O     14.18405783      7.97203664    -17.40381824
  H     14.40131546      5.86920950    -13.05836546
  H     18.04244251     10.85247940    -13.08431272
  O     18.24376267      8.84875466    -16.57569391
  H     15.56568076      6.49743292    -13.84466076
  H     18.53450795      7.07262768    -13.33159833
  O     14.70915166     13.34276782    -13.83856184
  H     16.73391786     10.15740151    -11.53683549
  H     17.65077607      7.73996632    -14.39622515
  O     15.02779863      9.74823388    -13.87648771
  H     15.67206020      9.20376296    -10.91823200
  H     19.63280404      9.96691185     -9.50457006
  O     12.67107265      7.99360418    -11.15721266
  H     17.97620858     11.81888902    -17.77336075
  H     19.04108569      9.65114631    -10.88526958
  O     12.55090010      5.98974842    -13.19586919
  H     17.79871074     10.49137464    -16.99709017
  H     12.61137405     13.22981316    -16.16870380
  O     18.36283273     10.18548720    -12.46372576
  H     18.10772351      6.01357163    -11.30011078
  H     13.66747120     12.85442500    -15.10038699
  O     18.48402550      7.84081110    -13.91866640
  H     17.17207230      5.59437918    -12.45314707
  H     15.41635769      6.97061154    -11.44773910
  O     19.25453388      9.26077710    -10.02295426
  H     15.56769260     10.96117952    -17.29926400
  H     16.20170478      7.20933840    -10.13254057
  O     13.08601541     12.49267410    -15.79495943
  H     14.12674159     11.28638882    -16.83544703
  H     13.11709612     11.67884601    -11.44455640
  O     15.39363060      7.44553035    -10.60420623
  H     14.31857788      8.93769577    -17.40011065
  H     14.63120241     11.53880416    -11.23193970
  O     13.94053510     12.17985166    -11.44913671
  H     14.11821507      7.70582125    -18.31671148
  H     11.98992218     10.41351737    -13.46467760
  O     12.30537788     10.22561845    -14.35867094
  H     17.39935694      8.40749799    -16.42019658
  H     12.42442176     11.05891953    -14.83188367
          69
 Energy    -248.64681280233623     
  O     14.79107878      6.78281055     -7.80968050
  H     14.88709694      6.75101874     -6.86178440
  H     11.71748461      6.95828758    -14.43856235
  O     12.91686103      5.97163798    -15.36083157
  H     13.84054052      6.68502984     -8.00114213
  H     16.46118338      8.00600409    -12.44408704
  O     16.48323250      6.44111552    -15.23624593
  H     13.47245514      6.54041762    -15.90678972
  H     14.97912256      7.83869387    -12.85869638
  O     14.92850838      9.94617869    -15.00356355
  H     13.49035267      5.27932803    -15.01453752
  H     13.36352233      8.14263956    -11.55781142
  O     10.03875754      6.91286575    -11.36197309
  H     16.33800638      7.02931758    -14.47941033
  H     12.70035373      7.33704472    -12.70204328
  O     18.02936295      3.81529909    -11.02286370
  H     15.98022409      6.82255598    -15.96383100
  H     11.71901018      7.33070715     -8.73156978
  O     11.46193158      4.58372584    -10.40830040
  H     15.32183607      9.39599094    -14.30367368
  H     11.90893520      5.83037467     -9.04067701
  O     17.35399171      7.48134650    -10.98801782
  H     15.42285048     10.76223125    -15.02198346
  H     18.03193234      5.54196061    -14.77813037
  O     12.35361790     10.03527964    -13.63671840
  H     10.42783481      6.06578745    -11.11574293
  H     18.29479582      4.16985057    -14.13268623
  O     17.23596650      2.72681952    -13.38203270
  H     10.32333756      7.09199221    -12.26997541
  H     14.25718797      4.46732964    -12.50931953
  O     14.59480488      7.83563289    -16.81442154
  H     17.33108214      4.23721769    -10.50341514
  H     13.74248150      5.70571513    -11.74423251
  O     11.24274061      7.49794822    -13.78947718
  H     18.65994377      4.51572708    -11.22808545
  H     15.68766129      3.61739981    -13.95515920
  O     15.84240671      8.14724353    -13.17231098
  H     11.13272280      3.69218762    -10.32548039
  H     15.51626679      5.02103727    -14.54861223
  O     13.45588392      7.34874807    -12.09956421
  H     12.31410536      4.52484140    -10.87083301
  H     20.52538037      6.16647948    -11.98774517
  O     12.19605119      6.53933326     -8.45293850
  H     18.19927259      7.11993539    -11.28216447
  H     19.32315663      5.73312930    -12.85907658
  O     18.71084631      5.01714666    -14.33264666
  H     16.86327851      6.73513149    -10.61271420
  H     10.47382387      8.14881269    -10.23094671
  O     13.90492895      4.75060186    -11.65638304
  H     13.17465042     10.10548771    -14.13489965
  H     10.05527070      9.22159896     -9.19719342
  O     15.01968094      4.28086358    -14.17265159
  H     12.60068607     10.10048822    -12.70384830
  H     15.59108982      5.72887901     -9.09526777
  O     19.57821692      6.05816555    -11.97696348
  H     17.49053147      3.05037247    -12.49904547
  H     15.23513928      5.04188564    -10.44806396
  O     10.81202205      8.76532777     -9.55515333
  H     17.47881880      1.80549443    -13.41658238
  H     15.17841540      8.33238085     -8.85884884
  O     15.96940214      5.30622687     -9.87632367
  H     14.65082905      8.63284745    -16.26434436
  H     16.14858945      8.69478866     -9.98909610
  O     15.37506246      9.01574606     -9.51194441
  H     14.37536460      8.12450789    -17.69705288
  H     12.32716246      9.55572121    -10.32099386
  O     13.09381754      9.78704905    -10.86227687
  H     11.51924364      8.42264955    -13.88114129
  H     13.89346121      9.66189285    -10.32809147
          69
 Energy    -248.64662808322612     
  O     14.19014699     12.09169836    -13.66469357
  H     14.97916861     11.68527228    -13.28726139
  H     12.70979505      7.52385348    -16.40435235
  O     14.63382331      6.71608296    -14.06008184
  H     14.09121430     11.74419958    -14.56181771
  H     19.44692898      5.05428655    -15.37019091
  O     17.98884103      8.30674560    -11.80852568
  H     15.01730443      7.55086729    -14.37202649
  H     18.41116817      6.07800867    -15.89323849
  O     18.10346780      9.69675901    -16.38485918
  H     14.08398359      6.92111734    -13.29099844
  H     16.50341541      9.24557199    -15.41602388
  O     11.62979212      9.03269513    -16.03693206
  H     17.60878975      7.50632647    -12.20034112
  H     15.00198492      9.62650838    -15.34978554
  O     15.04837174      8.17279860     -8.72186669
  H     18.01151747      8.15194360    -10.85634228
  H     12.83227263     11.76077612    -12.62972411
  O     13.16407200      7.40228898    -11.80878829
  H     18.57361090      9.29885523    -15.62689055
  H     11.63953502     12.22505541    -11.75780695
  O     16.15251531     10.29298101    -12.49251451
  H     18.56014709     10.51274825    -16.57444583
  H     17.03482076      5.94378220     -9.83071223
  O     15.20266960      7.19451151    -18.46414815
  H     11.53095111      9.01237593    -15.06728222
  H     16.73564437      5.34949773    -11.22213580
  O     13.91861374      5.70621557     -9.70396606
  H     10.75162707      9.10986697    -16.40026422
  H     11.58240802      9.86772943    -12.89456665
  O     17.74046623      6.96186990    -17.24257897
  H     14.56836452      7.35880686     -8.91659265
  H     11.90726497      8.35961677    -12.82797480
  O     13.35186462      6.81847724    -16.54867746
  H     14.68005870      8.84508997     -9.31148053
  H     18.95782537      8.52791085    -13.40217627
  O     18.83880413      5.73278992    -15.08930827
  H     13.50045658      8.23451092    -11.44593341
  H     19.27793446      7.51130170    -14.51783798
  O     15.69176070      9.10229192    -14.91883226
  H     13.29931972      6.73698551    -11.12306653
  H     16.16642483      6.09297251    -13.35884892
  O     12.13594626     11.45492412    -12.02022265
  H     15.93914682      9.87848646    -13.34177355
  H     17.64856544      5.73425782    -13.66049900
  O     16.53011071      5.25623020    -10.28140975
  H     16.86354673      9.74588750    -12.13413581
  H     16.75628078      7.88255653     -8.91456445
  O     11.45085963      9.02887804    -13.35345034
  H     14.52544325      7.02680695    -17.78417186
  H     18.16573653      7.74325455     -8.29210274
  O     19.26946006      8.45493889    -14.31369934
  H     14.92536734      6.72958619    -19.24902461
  H     16.48571906      9.98156831    -17.70623891
  O     17.02581944      5.92030097    -12.94794023
  H     14.83673282      5.46388633     -9.92225633
  H     15.43948429      9.04936873    -18.32634713
  O     17.67789243      7.62826500     -9.10285426
  H     13.53964802      4.96258531     -9.24363417
  H     13.35167320     10.42387837    -11.01375236
  O     15.61990084      9.97807064    -18.12303542
  H     16.87321181      6.94343563    -17.66643056
  H     14.82082681     10.02656027    -11.31775213
  O     14.06068054      9.82516503    -10.75174160
  H     17.95963283      7.89374436    -17.13218189
  H     13.03991809     10.22662455    -16.19736478
  O     13.84479309     10.75886027    -16.14438669
  H     13.73259692      6.61750002    -15.68315686
  H     14.35792097     10.61011729    -16.95233604
          69
 Energy    -248.64631392424883     
  O      3.69430271      1.69863053     -0.63148058
  H      3.49834363      2.63018227     -0.78620165
  H     -1.16534001      4.37760047      2.91976852
  O     -1.38465637      3.48080941     -0.49423315
  H      2.97081932      1.20494475     -1.04981883
  H     -1.10545788      0.70453276     -3.14918089
  O     -0.21788516      0.95158075      0.22553445
  H     -2.29882896      3.21751055     -0.66159743
  H     -0.36914975      0.64652843     -4.50590822
  O     -2.59337489      0.40117386     -2.28620814
  H     -1.32055431      3.72489870      0.43834378
  H      2.47854046     -2.13578743      0.33382631
  O     -3.29346859      1.90957761      1.84655833
  H      0.46652366      0.74467296     -0.42658881
  H      1.46901990     -2.70108733     -0.66416443
  O     -3.95000589      2.39355449     -0.73245757
  H     -0.61356886      1.79116632     -0.03077152
  H     -2.41682454     -1.09159704      2.95393747
  O      1.02999412      0.26723081      2.57461467
  H     -3.12812728      1.08611799     -1.86850966
  H     -3.95091204     -1.29454135      2.94385135
  O      4.87655512     -0.85075768     -0.33406651
  H     -2.48235629     -0.28091729     -1.60975705
  H      3.53749172      1.61497199      1.18463163
  O      5.08918826     -0.79541472      2.37218530
  H     -2.48781054      2.35736593      2.12749717
  H      4.08899963      0.88698121      2.42170444
  O      2.55586603     -2.01023449      2.20260754
  H     -3.23962161      0.99343958      2.14689560
  H     -0.06873790     -3.58839600      0.69523836
  O      2.60098864      4.26029576     -0.94642928
  H     -3.79969034      2.17967091      0.20682694
  H     -0.85973127     -2.63689073     -0.22066848
  O     -1.00851047      3.69478055      2.27199015
  H     -4.82987817      2.75453042     -0.79648527
  H     -0.22310462     -0.83330425      3.40071763
  O     -0.24860712      0.86056782     -3.58460492
  H      1.84216585      0.78973127      2.56586900
  H     -0.49705673     -2.35113200      3.32224744
  O      2.31455247     -2.22938467     -0.61422247
  H      0.52990719      0.54018623      1.79122448
  H     -0.19262282      3.55344621     -1.83201048
  O     -3.24051148     -0.84204720      2.49738364
  H      4.62651652      0.05798552     -0.55249113
  H      0.32695485      2.62970910     -2.94923409
  O      3.46200573      1.56632358      2.15031133
  H      4.15367015     -1.40970873     -0.64205199
  H      1.31342539     -3.27001484      2.47161859
  O     -0.17294527     -3.31716436     -0.22433043
  H      5.96588181     -0.99948805      2.68539944
  H      0.75163318     -4.62795379      2.94800815
  O     -0.88134133     -1.51206786      3.60378542
  H      5.11897581     -0.84248154      1.39876835
  H      1.06668013      0.27555088     -2.41983844
  O      0.52548712      3.44267912     -2.47361946
  H      3.45788974     -1.72338867      2.38568061
  H      1.82184231     -0.70529575     -1.42432383
  O      0.49859059     -3.79302191      2.56183610
  H      1.98930035     -1.23284960      2.32383224
  H      1.94278844      3.99500165      0.83841201
  O      1.65304945      0.21938106     -1.65572338
  H      1.88574218      3.97893567     -1.54531240
  H      2.31975776      3.11426002      2.04218978
  O      1.66188505      3.74520437      1.72746428
  H      2.92420006      5.09347561     -1.27850524
  H     -1.36755930     -0.42890904      0.07357456
  O     -1.99482443     -1.16052154     -0.03546118
  H     -0.04471116      3.66754001      2.13648571
  H     -2.53997404     -1.15732613      0.75955646
          69
 Energy    -248.64609203353660     
  O     10.31012465      6.37777686    -11.85210766
  H      9.58764885      6.12627527    -11.28365352
  H     18.19574630     10.51263927    -14.83912630
  O     14.62584704      8.41474606    -15.66752814
  H     10.76855989      5.55736999    -12.10825056
  H     15.52024332     11.84077661    -12.25461424
  O     17.30642570      9.00747224     -9.60441379
  H     15.09784529      8.56814958    -14.83142657
  H     14.00313296     11.85337571    -12.50169903
  O     15.30944803     12.06599997    -15.46788433
  H     15.11085279      8.90209526    -16.34283356
  H     16.79257704      8.31824946    -13.41791188
  O     12.38249669      9.23449579    -14.27884741
  H     17.24805792      9.08499611     -8.65548209
  H     15.64754095      8.80121682    -12.44076683
  O     16.71990921      4.82743298    -11.64556157
  H     16.39676068      9.05318756     -9.94556076
  H     12.68861040      4.58621183    -12.52990830
  O     14.45203220      5.70150599    -15.18086477
  H     16.00198811     12.01601666    -14.79570326
  H     11.74855163      4.31593622    -13.71372611
  O     14.86550622      9.21319166    -10.77396799
  H     15.57667254     11.45711772    -16.16636105
  H     18.12640156      7.59926404    -10.59515570
  O     17.17271874      5.18126453    -14.50821389
  H     13.10115873      8.94497111    -14.85936490
  H     17.93920396      6.22038751    -11.27024749
  O     17.08244231     11.37113706    -13.38151184
  H     12.46266406     10.19311815    -14.20392736
  H     11.28708357      4.55656143    -16.27932566
  O     16.30052613     10.03181602    -17.23422165
  H     15.81378188      5.13288745    -11.82130041
  H     11.29274867      5.74815677    -15.29146351
  O     18.38951477      9.84632161    -15.50672674
  H     16.64415230      3.97695948    -11.21952994
  H     19.61581766     10.16876758    -11.51465058
  O     14.66932501     11.73043449    -11.81429232
  H     14.50224488      6.62414186    -15.47034561
  H     18.31660611     10.14233152    -10.70621031
  O     15.96789550      8.82019719    -13.34892970
  H     13.57463620      5.37528690    -15.41574517
  H     18.05245402      6.73359491    -14.25040723
  O     11.79881023      4.28006699    -12.75004368
  H     14.74325140     10.13861334    -11.04204694
  H     18.61260458      7.40519230    -12.96487339
  O     18.52738526      6.98634426    -11.22191278
  H     14.04025453      8.74933796    -10.96425300
  H     13.76574592     12.03180187    -14.66327937
  O     11.76401375      4.93413450    -15.54518580
  H     16.27447396      5.24541215    -14.85723820
  H     12.44442918     12.75108624    -14.30067831
  O     18.80926711     10.65836942    -11.36003830
  H     17.08407019      4.91002270    -13.58660302
  H     14.35464944      5.71326353    -13.37479189
  O     18.38347309      7.57042798    -13.89120047
  H     16.64278044     10.50722695    -13.44149599
  H     13.75067991      6.47484741    -12.16255420
  O     12.96412457     11.97388743    -14.11223632
  H     17.74506994     11.28152651    -12.68156557
  H     11.82089387      7.47443929    -11.68735958
  O     14.24483371      5.68396491    -12.41232049
  H     16.59093320     10.08563719    -18.14051652
  H     12.58061475      8.41596384    -12.65796179
  O     12.66257045      7.92503975    -11.82703473
  H     17.10095181      9.92577176    -16.68876133
  H     10.27841977      6.97153314    -13.70170172
  O     10.51477227      7.16292897    -14.61731934
  H     18.51003061      9.01764462    -15.01989067
  H     11.06211161      7.95933337    -14.58782603
          69
 Ord_Energy   -248.646042    
 O   -5.41239929      -4.51126814       3.09417009    
 H   -5.69471693      -3.88552475       2.43208790    
 H   -4.52976036      -4.22359562       3.38936210    
 O   -6.99473143      -7.78737020       10.9954758    
 H   -7.61862421      -7.36339378       10.3772717    
 H   -7.47092628      -7.93799686       11.8074589    
 O   -4.22778606      -2.77017522       6.57700634    
 H   -4.85875320      -3.46077847       6.32313013    
 H   -4.62194967      -2.30754900       7.32521057    
 O   -2.13283777      -9.04664421       7.27942610    
 H   -2.39247084      -8.30220985       7.84147787    
 H   -2.79699612      -9.72777843       7.42720270    
 O   -6.32923269      -9.67523289       8.94146824    
 H   -6.86579227      -9.25301170       8.25676632    
 H   -6.45736647      -9.14250755       9.73374557    
 O   -3.17674828      -6.76502943       8.47984886    
 H   -3.83555222      -6.54079533       9.15019894    
 H   -2.75412393      -5.93659878       8.21379089    
 O   -1.57450092      -7.57809114       4.99510908    
 H   -2.12240672      -7.92321873       4.28312159    
 H   -1.70854509      -8.15505028       5.76136589    
 O   -4.98823214      -7.21267653       6.43983698    
 H   -4.74832106      -7.98817110       5.92294502    
 H   -4.32089806      -7.10509396       7.13073111    
 O   -5.16200924      -5.81881094       10.1590528    
 H   -5.75543308      -5.34685707       9.55741501    
 H   -5.69194651      -6.50431633       10.5824070    
 O   -7.55556774      -8.12301445       6.94513845    
 H   -7.75368118      -8.43168163       6.05434608    
 H   -6.67166090      -7.72974348       6.88100624    
 O   -4.83370495      -9.76986217       5.07782650    
 H   -5.77865553      -9.69619751       4.89350462    
 H   -4.71033335      -10.2518654       5.90573978    
 O   -3.50059581      -3.52292228       10.1314287    
 H   -2.85393476      -3.75956464       9.45473766    
 H   -3.98437643      -4.33516264       10.3345623    
 O   -6.87582302      -4.33454132       8.45849705    
 H   -6.53718042      -3.45748377       8.67531776    
 H   -6.70619869      -4.47227192       7.51578236    
 O   -3.34460068      -8.74037743       3.06123161    
 H   -3.81377125      -9.22139549       3.76645899    
 H   -3.00404119      -9.39812565       2.45959210    
 O   -5.41347980      -1.95392871       9.01631546    
 H   -5.56242418      -1.14185667       9.49230480    
 H   -4.71179199      -2.43597126       9.49106026    
 O  -0.891514540      -5.00689220       5.29862690    
 H    2.53672991E-02  -4.92556763       5.05054951    
 H   -1.12885296      -5.94593430       5.18652916    
 O   -6.02597809      -4.76066875       5.83466244    
 H   -5.62070417      -5.62735605       5.99356127    
 H   -6.01270294      -4.62993813       4.87980127    
 O   -4.34699869      -10.8947878       7.57675791    
 H   -4.23377705      -11.7808275       7.90999317    
 H   -5.02557135      -10.4715099       8.13265705    
 O   -2.16679907      -4.29690313       7.70365524    
 H   -1.59666824      -4.52394676       6.95808601    
 H   -2.87138295      -3.74682331       7.33226061    
 O   -8.49321938      -6.56558180       9.09181213    
 H   -8.34091377      -7.09616709       8.29744148    
 H   -8.10859585      -5.69898319       8.90603352    
 O   -7.43923426      -9.00127220       4.25627184    
 H   -6.93303585      -8.34181595       3.74705744    
 H   -8.06331348      -9.39265156       3.65111208    
 O   -3.07972813      -3.58934498       4.13112593    
 H   -3.38218474      -3.10040832       4.90795374    
 H   -2.30717158      -4.08769798       4.42410374    
 O   -5.81685114      -7.30883551       2.88041949    
 H   -5.68879128      -6.35349464       2.91637039    
 H   -4.93521929      -7.69705820       2.81982064    
          69
 Energy    -248.64599934952491     
  O     15.89901704     12.04761611    -12.19047493
  H     16.55674653     11.71496260    -11.57151147
  H     14.66067831      7.31059762    -16.95396785
  O     14.02292510      6.66692005    -14.08834042
  H     16.34778910     12.05279250    -13.04810420
  H     15.21264463      7.99728546    -13.79512446
  O     17.00264032      6.12760171    -11.02271253
  H     13.27655603      6.95831545    -13.54996627
  H     15.65921794      9.36568798    -14.36264015
  O     18.47836138      9.30559040    -13.18839084
  H     13.80610021      6.79226841    -15.02352950
  H     12.86296261     12.31262347    -11.56003000
  O     12.95964758      9.99944947    -16.50646667
  H     16.65663371      7.03005706    -10.95620488
  H     14.21442508     11.68399915    -11.96060958
  O     13.15444349      6.51069145     -9.09345001
  H     16.56522911      5.62834932    -10.32173199
  H     14.43404156      3.96970736    -10.53947706
  O     12.02906953      7.57387168    -12.39083554
  H     18.90574310      8.45295081    -13.04475609
  H     14.51506596      3.91830833    -12.07288222
  O     16.00570953      8.69873422    -10.89982891
  H     17.55823326      9.09331902    -13.40912197
  H     12.55117963     10.51943547    -13.25974935
  O     16.56039014      7.60370375    -17.00857272
  H     12.32718607     10.49955097    -17.01464698
  H     11.96034139      9.11446579    -13.48957129
  O     11.60667633      5.12919321    -11.07714384
  H     12.64032642      9.99518853    -15.58550060
  H     18.46984206      6.39676011    -12.04479768
  O     17.56233358      6.01228272    -15.02635999
  H     12.51648144      6.06013971     -9.66121407
  H     19.92143356      6.07225056    -12.45902789
  O     13.72138913      7.25614837    -16.73586411
  H     13.14923407      7.43504449     -9.37129343
  H     16.19813410      5.22547259    -12.47568066
  O     15.76312979      8.76992223    -13.61128691
  H     12.47013956      8.06404106    -11.68166066
  H     15.08878288      5.39793616    -13.54693903
  O     13.27455996     11.48617523    -11.80030548
  H     11.74487549      6.73520393    -12.00635746
  H     15.47307050      4.53094070     -8.24368219
  O     13.92828365      3.73671539    -11.32740174
  H     16.67091299      9.35404546    -10.65742426
  H     14.60094352      5.52350386     -9.04668763
  O     12.16432179      9.94692212    -13.93338689
  H     15.84527890      8.80533788    -11.85253286
  H     18.02233044     11.01257318    -14.20542982
  O     19.17176939      6.62008541    -12.67867847
  H     17.06047811      7.39205043    -17.79293016
  H     16.86290346     11.28233934    -15.17814953
  O     15.76096230      4.77982842    -13.21364281
  H     16.92258146      7.05012903    -16.29505287
  H     14.29020144      8.87471414    -10.46123233
  O     15.35092550      4.90486188     -9.11227766
  H     10.86879516      4.52936970    -11.00934699
  H     13.19959794      9.91866965    -10.74311365
  O     17.41857251     11.70090554    -14.50502674
  H     12.39782304      4.58374915    -11.23602109
  H     18.29184840     10.21925347    -11.64198481
  O     13.33654296      9.03220386    -10.38690736
  H     18.21730446      6.26174615    -14.36634851
  H     18.79895473     10.99173304    -10.40078351
  O     18.01458844     10.63171975    -10.80564609
  H     16.94261817      5.44112069    -14.55386162
  H     14.78445461     10.18459829    -16.28980153
  O     15.72183875     10.12782542    -16.06391437
  H     13.38591268      8.16135125    -16.76496070
  H     16.06308130      9.31063013    -16.45272197
          69
 Energy    -248.64571828619049     
  O     11.16213802     10.56364199    -11.29790857
  H     12.01117709     10.73355040    -11.73863058
  H     14.70984460     11.59283626    -15.44805346
  O     13.32147673      6.96319859    -14.79122717
  H     10.85019572     11.40517961    -10.97401333
  H     14.78117052      7.65948776    -13.92808011
  O     17.82210596      9.43655305    -10.54791356
  H     13.92425796      6.71978141    -15.51032103
  H     16.18673457      7.09907151    -13.66842248
  O     12.35492232      9.57301630    -14.83499419
  H     12.93245504      7.82800467    -14.96875702
  H     12.03554995      7.70939366     -9.85787442
  O     15.86528695      5.21953167     -9.64992657
  H     17.96408581     10.12074451     -9.89871450
  H     11.18496773      8.93067673    -10.29824413
  O     12.69567488      5.68432478    -12.46410763
  H     16.86307535      9.38689906    -10.69850213
  H     20.25555970      5.98628115    -13.10147063
  O     15.18178445      9.05301516    -11.15634974
  H     11.47867688      9.33165749    -14.49846397
  H     19.32980387      7.22585711    -13.05577438
  O     16.09585703      9.07194210    -17.40209449
  H     12.82644878      9.96199246    -14.08580827
  H      9.26589651      6.00661571    -11.60321585
  O     15.25714051      4.41854361    -12.35488179
  H     16.67317194      5.70405937     -9.89727516
  H     10.35182989      7.00578591    -11.13532824
  O     17.12538190      9.77342503    -14.86390288
  H     16.10761431      4.62081152     -8.94864133
  H     18.55254857      9.33756490    -13.74905097
  O     15.38136342      6.38696320    -16.49548978
  H     11.75008718      5.79814283    -12.31279204
  H     18.73508611      9.23174118    -12.21779588
  O     15.15440835     11.77412490    -14.61330445
  H     12.88311358      6.09121810    -13.32391934
  H     16.38613220      5.04105916    -13.59798999
  O     15.63429014      7.88114404    -13.53457735
  H     15.40556574      8.62735226    -12.00129293
  H     17.80714857      5.65639935    -13.84096149
  O     11.12866243      8.03297616     -9.94828086
  H     14.64749692      8.40518667    -10.67816576
  H     18.04907662      7.54736178    -10.37795671
  O     19.35243561      6.25639796    -12.95826415
  H     16.37426512      9.19485828    -18.30700601
  H     18.52808020      6.36714774    -11.24598329
  O     10.03928190      6.48168614    -11.89523935
  H     15.27543299      9.57839317    -17.29216660
  H     13.20687119     11.06390007    -17.51820367
  O     19.11169437      8.95232310    -13.06149597
  H     14.33317895      4.68703849    -12.43658697
  H     13.20911435     10.20226367    -16.23820264
  O     16.92625485      5.55508551    -14.22054287
  H     15.49158250      4.58456625    -11.43445182
  H     13.37560022      6.52507315    -10.99569415
  O     18.06255489      6.58433118    -10.42939172
  H     16.58874054      9.13186406    -14.37151691
  H     14.40282236      6.34992885     -9.85453745
  O     13.78128839     10.58399796    -16.92630714
  H     16.97490019      9.56885226    -15.79433126
  H     14.13955461     11.28655991    -13.21359226
  O     13.70790029      6.93459660    -10.18200010
  H     16.00738676      6.04126825    -15.84375191
  H     14.14504359     10.25911942    -12.03874975
  O     13.57184069     10.80524563    -12.59400528
  H     15.73847821      7.22277542    -16.81523096
  H     10.02861253      8.04417573    -13.03758452
  O     10.12223396      8.92294815    -13.42442222
  H     15.94681404     11.21956183    -14.62840987
  H     10.32084172      9.51173814    -12.68486927
          69
 Energy    -248.64564782337561     
  O     -0.59769466      0.40637686      0.36742665
  H     -1.43780068      0.86979372      0.27963315
  H     -3.36589277      3.79926360      2.69202886
  O     -1.01714025      4.99570771     -0.97194311
  H     -0.81615113     -0.53229423      0.44420338
  H     -2.78186611      0.75259398      6.95390063
  O     -2.19047382      3.74293930      1.23578919
  H     -1.11542191      5.86314679     -1.35502125
  H     -3.23269307      1.05847034      5.50295944
  O      2.36776065     -1.17771468     -0.35467840
  H     -1.16516125      4.35308707     -1.68867322
  H     -3.32249677      0.74966097      0.99073984
  O     -0.90020123     -0.57807435     -3.12089532
  H     -1.88597654      4.25775200      0.47851459
  H     -2.96493029      2.24359985      0.64638831
  O     -1.40028024      3.14032667     -2.89492747
  H     -1.41649298      3.59977989      1.79949197
  H     -4.31928567      1.94333293      3.91416534
  O      1.54824514      1.46867284     -0.95050440
  H      2.25840958     -0.25418411     -0.61701568
  H     -4.23297201      0.44437785      3.50354783
  O      0.18883454     -2.55839898     -1.64138907
  H      1.67480919     -1.67550695     -0.80550549
  H     -1.74996645      2.72058349      5.66326609
  O     -1.42320106     -2.23577250      0.65081666
  H     -0.28597069      0.11338907     -3.39711138
  H     -1.32012600      4.14036732      6.09018032
  O     -1.17687413     -0.51213051      4.18359460
  H     -1.71948678     -0.12761687     -2.88312413
  H      0.58649808      4.34705538     -0.13059067
  O     -3.18392499     -0.61629090      2.20735598
  H     -0.61388285      2.68792580     -3.22457358
  H      1.01214111      3.85197447      1.26077681
  O     -3.76813403      3.64756343      3.55719895
  H     -2.07678714      2.45977348     -2.79638691
  H      0.96562513     -2.36154704      2.76431419
  O     -2.48058311      1.11092963      6.12342214
  H      0.75548883      1.05625080     -0.57253414
  H     -0.36455560     -2.10546886      3.50152085
  O     -3.21722899      1.38757473      0.27110437
  H      1.62490545      2.32998854     -0.51605080
  H      1.51532459      0.14104529      2.68793417
  O     -4.39998618      1.03519142      4.24558318
  H     -0.21681137     -1.86850703     -2.19707463
  H      0.31059841      0.68248952      1.88154144
  O     -1.44760156      3.57952517      5.32817261
  H      0.31567636     -3.32078733     -2.20019357
  H     -0.38230426      3.54465398      3.75896945
  O      1.29803595      3.89550405      0.34059841
  H     -0.90088668     -2.53111912      1.41413802
  H      0.38723916      2.50671242      2.90607829
  O      0.07774799     -2.71601622      2.89671968
  H     -0.95126207     -2.51428566     -0.14319469
  H      1.20148245      1.56784108     -2.65871772
  O      0.79207594      0.77887118      2.71824251
  H     -0.47650102      0.01303947      3.76933679
  H      1.63448128      1.72389835     -4.13735673
  O      0.03126432      3.40797157      2.89841241
  H     -1.51275661     -0.00806855      4.93198536
  H     -3.28105028      1.10210689     -1.45755663
  O      0.87547486      1.59201174     -3.57607374
  H     -2.52956242     -0.55111224      2.91855013
  H     -4.08073487      0.85441063     -2.75633021
  O     -3.19724481      0.97867843     -2.41844752
  H     -2.83006604     -1.28908121      1.61163320
  H      2.53925230     -1.33591714      1.36536868
  O      2.55990129     -1.36172386      2.33912135
  H     -3.05596645      3.78786969      4.19143138
  H      3.44824988     -1.60067707      2.58860938
          69
 Energy    -248.64552199235862     
  O     14.69261808      9.61292880    -10.30919387
  H     14.46801787     10.13402301    -11.09438514
  H     11.58606469      8.18833152     -9.42374155
  O     13.07700650     10.54423056    -16.08921063
  H     13.90193187      9.12325111    -10.05544631
  H     18.53186867      7.87406896    -15.35895603
  O     16.96338753     10.90066106    -13.47329644
  H     13.04020329     11.35115035    -15.56027142
  H     19.04918584      7.43988662    -13.98078153
  O     17.09827434      6.84580212     -8.24535322
  H     12.89704572      9.81745506    -15.48013898
  H     14.37161114     12.93364011    -14.75915093
  O     15.99852108     12.76558722    -15.36408009
  H     17.54738857     10.82709474    -12.70967923
  H     13.10219413     13.72627927    -14.35955186
  O     15.98996133      7.74623260    -12.01701154
  H     16.05695791     10.77077300    -13.16342513
  H     13.80035983      8.10794562    -14.41043616
  O     14.21190517     10.71340464    -12.75741867
  H     17.30180567      6.56785984     -7.35545544
  H     12.62570068      7.90801394    -13.43604867
  O     18.75917385      7.91180503    -12.22311804
  H     16.16732506      6.61321108     -8.40297665
  H     15.36044643     10.81745587    -18.31187465
  O     18.65675504     10.54105119    -11.19934531
  H     15.93487821     12.20151723    -16.14540865
  H     14.60686068     10.63845578    -16.97318149
  O     17.15558872      5.17896106    -14.44091563
  H     16.48809588     12.25085833    -14.70788136
  H     13.15778717      5.99582437    -11.98467907
  O     17.07116147      3.92674925    -12.06200673
  H     16.95326567      7.81689032    -12.06672504
  H     11.69057444      5.80644164    -12.42703839
  O     12.44909000      7.96933271     -9.76746802
  H     15.65960707      8.40093669    -11.39238604
  H     14.60321642      5.73822061     -9.70623990
  O     19.01786491      7.17142228    -14.91067638
  H     13.89492209     11.50909547    -13.20183558
  H     13.79207395      6.78993897     -8.94231870
  O     13.46601272     12.84707105    -14.40866715
  H     13.79341923      9.95933846    -13.19626738
  H     15.42706490      4.69662475    -11.68828271
  O     13.00318793      8.53771313    -14.05684741
  H     18.86005414      7.21407218    -11.55628968
  H     15.22209592      6.22074055    -11.67217667
  O     15.48470519     10.78548380    -17.36704654
  H     18.92117203      8.77056035    -11.81786298
  H     18.08030298      5.15107692    -10.92806251
  O     12.31483663      6.46181600    -12.12369825
  H     19.33503650     11.13415374    -10.88762465
  H     18.07367992      6.10151661     -9.69864386
  O     14.52536392      6.17363203     -8.84598271
  H     18.16814129     10.23290503    -10.41463501
  H     15.60082763      7.52184037    -13.75425883
  O     14.76228807      5.37678337    -11.52736194
  H     17.91954967      5.73586471    -14.65322751
  H     15.99562705      7.97633014    -15.17488835
  O     18.58514413      5.83556154    -10.47264521
  H     16.39464890      5.73466864    -14.64143146
  H     16.28226450      9.67945461     -9.42743987
  O     15.37662466      7.41184542    -14.69161212
  H     17.38682348      3.03275687    -12.15969890
  H     17.25618835      8.65734365     -8.80800826
  O     17.20300818      9.55523879     -9.15571768
  H     17.14518654      4.34575942    -12.94046350
  H     17.21227521      9.79443839    -14.93914997
  O     17.19325348      9.23967403    -15.73248966
  H     12.30682247      7.46958235    -10.58647669
  H     16.70054680      9.73288804    -16.39948700
          69
 Energy    -248.64546817226326     
  O     -3.82297380     -5.47535051      3.07874992
  H     -2.93537800     -5.87647685      3.10348711
  H     -4.45974950     -8.01140302     -3.63512356
  O      1.55953849     -2.64495430     -3.24842578
  H     -4.06284443     -5.28036529      3.98042935
  H      3.78923898     -4.34845728      1.56617659
  O      0.78154345     -7.53242859     -0.48609903
  H      1.70339071     -2.50012868     -2.29598546
  H      3.21454782     -5.07935414      0.32726722
  O     -5.85397507     -8.58786972     -2.54415972
  H      1.87709681     -1.86569355     -3.69633035
  H     -2.42966634     -9.29852166     -0.77106640
  O      2.69439389     -5.30034014     -3.39860947
  H      0.03020948     -8.14008706     -0.51326390
  H     -1.46691177     -9.03450345     -1.96647896
  O     -1.32204467     -8.86452968     -3.82684972
  H      0.56479564     -6.82163307      0.13291342
  H     -4.65050463     -3.76784126     -0.60712980
  O     -2.75371501     -6.40411521     -0.71863457
  H     -6.11254234     -7.78297712     -2.06155744
  H     -5.67419672     -2.89939356     -1.37485359
  O     -0.83161215     -4.09139263     -2.90971449
  H     -6.66193361     -8.99893811     -2.84101698
  H     -4.58792493     -6.73684263      1.83828394
  O     -6.42168523     -6.38338580     -1.05158915
  H      2.41170552     -4.37873970     -3.41945013
  H     -4.07846216     -7.00772567      0.40911303
  O      3.32702807     -6.29396771     -0.87757958
  H      1.88230077     -5.81878699     -3.47317403
  H     -0.08792891     -4.67795659      0.73777022
  O     -4.17303757     -9.59783326     -0.42923497
  H     -1.18350365     -9.52380263     -4.50079791
  H      1.29888651     -5.04975407      1.31647487
  O     -3.69757164     -7.66069516     -4.11262653
  H     -2.19313491     -8.46008031     -3.99552952
  H     -1.77433494     -3.38832645      0.14081295
  O      3.01636525     -4.41407633      1.01273710
  H     -2.98984509     -6.08752775     -1.60009000
  H     -0.92280952     -3.62075838     -1.14246682
  O     -1.56786694     -8.92646124     -1.01134266
  H     -2.26978143     -7.23128916     -0.82956836
  H      0.81930676     -2.55046874     -0.31683374
  O     -5.23694423     -3.74734064     -1.38140138
  H     -0.10101439     -3.51276266     -3.16117243
  H      2.26485799     -2.99344934     -0.02003521
  O     -4.77179809     -7.24884145      1.04375693
  H     -0.49351263     -4.99864850     -2.97369204
  H     -0.70943608     -6.14029247      2.42274674
  O      0.38402807     -5.35176415      1.24641084
  H     -6.00760383     -6.65463252     -0.21991044
  H     -1.07324668     -7.50797152      3.02349477
  O     -0.87873381     -3.34643952     -0.21471147
  H     -6.13501140     -5.47789231     -1.20960933
  H     -3.07331820     -4.91298606      0.19324045
  O      1.74199064     -2.38154169     -0.55203276
  H      2.59464927     -6.91052043     -0.75742877
  H     -3.61185679     -4.40155289      1.54689473
  O     -1.35581680     -6.59702674      2.98391315
  H      3.24119551     -5.94448603     -1.77700674
  H     -0.25632924     -7.37469217     -3.46299898
  O     -3.40215025     -4.11914706      0.64893123
  H     -4.72723809     -9.39018318     -1.19210124
  H      0.45612169     -6.90903014     -2.16939787
  O      0.20958456     -6.63137322     -3.06347274
  H     -4.46738718     -8.99343379      0.26404272
  H     -2.57966428     -4.59177386     -3.14432682
  O     -3.41941101     -5.07226548     -3.11094407
  H     -3.65905991     -6.71623188     -3.91035242
  H     -4.07112165     -4.51302217     -2.67159311
          69
 Energy    -248.64525064565603     
  O      2.32645311      0.29098605      4.43402112
  H      3.10031128      0.58418181      4.90813652
  H     -3.80112221      2.49783491      1.63885528
  O      0.12325232      0.79754437     -3.02689236
  H      1.57891237      0.82287409      4.76154402
  H     -0.66961856     -1.80853567      5.45356890
  O      0.99617479     -2.19220947      4.85384384
  H      0.43753130     -0.11489726     -3.02253438
  H     -1.74968381     -0.78917446      5.99424850
  O     -1.56208690      0.62775309     -0.74989125
  H     -0.60928598      0.82054461     -2.39643559
  H     -0.43212619      2.33447262      2.02001881
  O      1.17821397     -1.82780249     -2.46011928
  H      0.87355448     -2.51289233      3.95444274
  H     -1.82488264      2.73183948      2.63287882
  O      2.92385374     -0.40030721     -0.95296799
  H      1.53193593     -1.39234551      4.77583720
  H     -4.14818788      0.41232179      0.99550108
  O     -4.06773762      1.03857289      4.30137865
  H     -1.39623959     -0.32190225     -0.67934426
  H     -3.19775285      1.05943280     -0.03281246
  O     -1.80994758     -4.29849036      2.15093682
  H     -0.86428839      1.06129653     -0.23924419
  H     -1.47933485     -0.75298441      3.83864629
  O      0.19104248      1.73739346      5.25034458
  H      1.63728590     -2.44538880     -3.02307891
  H     -1.27380446      0.51804066      2.94476995
  O      2.04884765      2.22344980     -1.73435041
  H      1.85558480     -1.37726980     -1.92368410
  H     -0.44296081     -2.25408347      0.24244885
  O     -3.42670841     -3.23442264      4.14326672
  H      2.77121415     -0.43085495      0.00071975
  H     -0.20433006     -2.09986018     -1.28771046
  O     -3.61848500      3.10963618      2.37590990
  H      2.80765731      0.52188982     -1.21305856
  H      1.48443600     -1.17569241      1.77275140
  O     -1.61180313     -1.58272394      5.46476635
  H     -4.26425215      0.29688842      3.72136291
  H      2.21610910     -0.10770907      2.62605343
  O     -0.96022333      2.35166769      2.83005111
  H     -3.98484461      1.80746770      3.72252360
  H     -2.96053957      1.00447575      5.69779328
  O     -3.98781926      1.22480186      0.50052187
  H     -2.39149025     -4.10315263      1.40902138
  H     -2.76407753      1.22926854      7.21368776
  O     -1.41465796     -0.43542352      2.92589652
  H     -2.33277874     -4.07708745      2.93677443
  H      1.11492146      2.09535864     -0.12167293
  O     -0.88452585     -2.09212845     -0.60172849
  H     -0.16424341      2.10475087      4.42730164
  H      1.07972726      1.04496297      1.01987329
  O      2.01481027     -0.36926075      1.71798235
  H     -0.58198635      1.51393064      5.78015848
  H     -0.37400724     -1.68765847      2.31160039
  O     -2.30965580      0.95850729      6.42007106
  H      2.41589661      2.93775169     -2.24751437
  H     -0.40975036     -3.22291340      2.07983038
  O      0.59356901      1.78534525      0.62872222
  H      1.37570942      1.79068831     -2.28998129
  H     -2.55823199     -2.68707974     -0.27378204
  O      0.15825716     -2.43984889      1.99958038
  H     -2.84342081     -2.73796143      4.73554621
  H     -3.91426958     -3.32793913     -0.64469336
  O     -3.41082564     -2.97996075      0.08753701
  H     -3.84548622     -2.57263147      3.58366579
  H     -3.91948372     -1.77877166      1.46159243
  O     -3.97414893     -1.10704934      2.15454592
  H     -4.11273061      3.90645439      2.20609150
  H     -3.05672309     -0.87204869      2.37082404
          69
 Energy    -248.64450086151595     
  O     13.51281308     11.05506316     -9.61487619
  H     13.56719262     12.01869450     -9.61139366
  H     10.51887462      8.90857912    -11.42225009
  O     16.15534503     13.49204061    -13.39925026
  H     14.38850970     10.72875950     -9.86303474
  H     11.00530605      6.97432961    -10.30024413
  O     11.24570368      9.82841016    -15.67697630
  H     16.34381493     13.23930424    -12.47747603
  H     11.90923431      7.31993661     -9.09958389
  O     10.68432256      7.66959111    -14.15009975
  H     16.84142914     14.09855020    -13.66425272
  H     12.94784813     13.18081793    -13.04243540
  O     12.48400154     11.51959112    -13.81471676
  H     11.01059957      9.05010004    -15.14033735
  H     14.31553785     13.88904213    -12.98623434
  O     15.15955840     11.10358284    -14.48060503
  H     10.54593510      9.94546616    -16.31378376
  H     13.05127631      9.48056297    -16.17113854
  O     13.88324329     13.80149808     -9.94282394
  H     11.40622352      7.02804708    -14.10911126
  H     14.46317697      9.98385504    -15.79244300
  O     16.08617465     10.03861044    -10.30285199
  H     10.33655718      7.74493216    -13.25346583
  H     14.83290177      6.56362351     -9.56305805
  O     16.44841103     12.81429845    -10.78449599
  H     11.97177672     11.05512635    -14.48836728
  H     14.53584800      7.73306971    -10.50249799
  O     13.67280611      8.17315876    -12.06330394
  H     13.41684595     11.35451373    -14.01768245
  H     12.92995842      5.49086991     -9.78485562
  O     14.73754986      4.59345019    -12.34593734
  H     15.57076336     11.93809339    -14.22600866
  H     13.63875832      4.32972686     -9.05417322
  O      9.94262919      8.12430542    -11.44523336
  H     15.58492797     10.40764746    -13.95711773
  H     16.05502180      6.54823000    -14.58580554
  O     11.60293320      6.58578306     -9.65392867
  H     13.61016862     14.60747801     -9.51385300
  H     16.05672572      5.87709134    -13.20421662
  O     13.42457802     13.90329252    -12.61397927
  H     13.64326817     13.88476898    -10.88352925
  H     14.93173085      6.38012237    -16.87573859
  O     13.99184855      9.30394777    -16.29190163
  H     16.24578685      9.80382167    -11.22904748
  H     14.54427862      7.68492899    -16.14310184
  O     15.01338759      7.50011116     -9.68975211
  H     15.93938875      9.19311979     -9.86065162
  H     13.50437478      5.50893060    -13.39901238
  O     13.72907860      4.93128207     -9.78844794
  H     16.46537971     11.88532528    -10.52133435
  H     13.57255662      6.33790280    -14.70192105
  O     16.55718989      6.48178385    -13.76263528
  H     15.67106800     13.20050710    -10.36201055
  H     13.67034778      8.23084395     -8.56688282
  O     14.79254137      6.75226698    -16.00916933
  H     12.95985736      8.80557931    -11.91610320
  H     12.92558069      9.55974299     -8.52962838
  O     13.02294844      6.15906916    -13.92606285
  H     13.37347091      7.52347330    -12.71037947
  H     15.20543111      8.82986313    -12.63737493
  O     12.85088738      8.63849865     -8.25463266
  H     14.99643669      3.67910398    -12.43863643
  H     16.50161645      8.24325209    -13.20172865
  O     16.10597314      9.07358379    -12.90659287
  H     14.40369574      4.69351839    -11.44026602
  H     12.29919869     10.50093274    -10.81079709
  O     11.75870264     10.15125547    -11.53303777
  H      9.09823783      8.39477415    -11.09235111
  H     11.94899804     10.68024971    -12.32008862
          69
 Energy    -248.64442714658719     
  O     12.61153787      5.79729376    -15.66447857
  H     12.41696630      6.73923971    -15.64265859
  H     12.33895476      3.87449528    -12.76112181
  O     10.28555078      8.69886697    -10.76535586
  H     13.57351384      5.72119322    -15.59732192
  H     12.93741382      5.89922422    -12.09976952
  O     16.95729249      5.84233082    -10.96440137
  H     11.14167191      8.74579344    -10.32308929
  H     12.02514955      7.08263568    -12.55176133
  O     11.72862046      4.56198568     -9.69775549
  H      9.90688253      7.85013549    -10.49831072
  H     13.26416076      8.65029047    -14.81496540
  O     15.44975901      9.36829393     -9.68584757
  H     16.87349892      6.72648593    -11.34991540
  H     12.54758566      9.40997765    -15.95316127
  O     18.11360099      5.88512646    -15.70210095
  H     17.86702379      5.55778301    -11.11921399
  H     19.11275624      4.49898875    -12.55409569
  O     15.60730744      4.24566528    -12.81003788
  H     10.90925195      5.05927697     -9.81447617
  H     20.27350777      4.63492689    -11.53713932
  O      9.34306263      6.02796452    -10.24054089
  H     12.25266899      5.04911322     -9.05085751
  H     14.99997390      7.31822606    -14.35076419
  O     18.88194582      7.33981970    -13.53457395
  H     15.44062286     10.21895867     -9.25422197
  H     14.06248572      7.65782402    -13.16892023
  O     13.24607744      6.18860454     -7.90062525
  H     14.52492312      9.07168758     -9.73832339
  H     16.23251692      6.25885205     -9.31627487
  O     12.93536027      8.26865398     -9.77827409
  H     18.67748558      6.07365838    -16.44713588
  H     15.83252970      7.64824755     -8.80334372
  O     12.97629248      4.06617723    -12.06201642
  H     18.40102518      6.46806429    -14.97635664
  H     16.03124381      8.41205956    -12.68558249
  O     12.87317875      6.86117929    -12.14467835
  H     16.01462684      4.77798408    -12.11235862
  H     16.37535983      8.86173185    -11.23980241
  O     12.41962958      8.74072150    -15.28559368
  H     14.70629413      4.04530260    -12.52164426
  H     17.27286456      3.68473408    -13.50438326
  O     19.50210833      5.08025623    -11.87568482
  H      9.29777454      5.75056258    -11.17392912
  H     18.19865952      4.30116953    -14.57200436
  O     14.66432373      8.05504621    -13.81954467
  H      8.49625861      5.81796173     -9.85478884
  H     11.05121082      8.36840318    -14.01023184
  O     15.81863551      6.71293352     -8.56958569
  H     18.23803700      7.85294995    -13.02985662
  H     10.41634379      8.38289877    -12.55775263
  O     16.73654367      8.42758643    -12.02246045
  H     19.23132408      6.67589537    -12.92666815
  H     15.42439376      5.18307670    -14.33515970
  O     18.18903298      3.70279476    -13.81485247
  H     14.19528926      6.27898825     -8.09974298
  H     16.27815297      5.78803373    -15.48072261
  O     10.53584328      7.86611546    -13.37006893
  H     13.17281240      6.10223740     -6.95377566
  H     11.71938122      4.55174032    -14.81606869
  O     15.38093382      5.73709936    -15.12980395
  H     12.93257225      7.75550060    -10.60190403
  H     11.11047738      3.13194668    -14.88132880
  O     11.27516970      3.86236103    -14.29077623
  H     12.92198008      7.62341047     -9.05959992
  H      9.91028843      4.79318554    -13.35213782
  O      9.36141954      5.42701840    -12.87734731
  H     12.51224966      4.10056942    -11.21085254
  H      9.65216904      6.29988647    -13.18245695
          69
 Energy    -248.64421404392050     
  O     11.90354249     11.01182719    -14.52447460
  H     11.54863368     10.55436101    -13.75252568
  H     15.10766621      6.08470905    -15.66172818
  O     15.59075566      6.37513190    -13.87291056
  H     12.53534658     11.66794541    -14.20562470
  H     16.58219138     11.63908915    -15.34945518
  O     16.79516637      9.79454691    -10.50453773
  H     15.44489930      7.32475216    -14.02004511
  H     15.61211032     11.68171256    -16.54012176
  O     17.66660459     10.32858186    -14.63264027
  H     16.54147060      6.26442183    -13.76397756
  H     16.03921667      9.48843066    -14.51626273
  O     12.09586405      6.88214422    -16.23080095
  H     16.11704990     10.17274210    -11.08284791
  H     14.57951877      9.17828019    -15.01585017
  O     15.06477029      8.55937933     -8.71876475
  H     16.31719705      9.43969568     -9.74199924
  H     10.08621046      9.57323652    -11.85290018
  O     13.81990891      6.40938949    -11.74530328
  H     18.18504763      9.64829325    -15.07673232
  H     11.59881314      9.30464517    -11.68577046
  O     14.72448671     10.63085473    -12.14309534
  H     18.08591071     10.50048942    -13.77663420
  H     17.37816549      8.04826128    -10.92201481
  O     16.69615965      8.09141204    -17.41296157
  H     11.94511775      6.86150428    -15.26836858
  H     17.93882960      6.97615358    -11.89030585
  O     15.59550933      5.87498056     -9.62697667
  H     11.33330759      6.47840737    -16.63583477
  H     12.34616073      6.65249064    -12.91372213
  O     18.87494157      8.09651914    -15.88516782
  H     14.26011371      8.75010097     -9.21717102
  H     11.34076167      7.78819685    -13.20309381
  O     14.85185565      6.19889418    -16.58688844
  H     15.22315990      7.61622648     -8.84932727
  H     19.47735675     11.19287645    -11.69143418
  O     15.83895522     12.13514557    -15.71984960
  H     14.44134719      6.33720501    -12.48509414
  H     18.16192125     10.42999843    -11.47225029
  O     15.21143194      9.03685094    -14.29982773
  H     14.30300456      6.10336404    -10.96783330
  H     19.00576207      5.69523048    -13.77724486
  O     10.89640494      9.45132356    -12.34174345
  H     14.85319551     10.00754988    -12.87535696
  H     18.61120015      7.03472893    -14.42851844
  O     17.57160453      7.10575099    -11.01002527
  H     14.50100093     11.47464306    -12.55112539
  H     14.37552457     10.09288441    -17.40247945
  O     11.70215595      6.96851684    -13.55988049
  H     16.21956227      8.89262020    -17.65384005
  H     14.76925610     10.68737258    -18.77553019
  O     18.78806826     10.72297987    -12.15359046
  H     16.03340795      7.41500926    -17.20669838
  H     13.33280346      8.06056660    -11.10166596
  O     18.42545286      6.44742135    -13.67976960
  H     15.93207745      5.13390454     -9.13112335
  H     13.62979010      9.58702828    -11.18971636
  O     15.11965837     10.44882612    -17.92104024
  H     16.34720554      6.24704679    -10.12454946
  H     14.00594618     13.73609051    -13.70648354
  O     13.06274136      8.92690871    -10.76223070
  H     19.64145120      8.16398855    -16.44785864
  H     14.67180705     12.59085415    -14.50324785
  O     14.03680458     12.78702704    -13.79072211
  H     18.09610941      8.05579641    -16.47321007
  H     12.80228742      8.57425003    -16.33765914
  O     13.23459829      9.43437471    -16.27646114
  H     13.89787134      6.33580392    -16.56882562
  H     12.69155487     10.00793837    -15.71328375
          69
 Energy    -248.64398349406065     
  O     14.99509664      4.21007005     -9.68538732
  H     15.05933184      4.94828069     -9.06211428
  H     16.08988589      5.85968502    -16.33928171
  O     12.64621835      4.33956734    -11.31905696
  H     14.16437803      4.31781079    -10.16227775
  H     17.58384308      4.83011358    -12.98764818
  O     17.25824774      4.04440961    -11.32264930
  H     12.50258841      3.38399319    -11.34603725
  H     18.58684733      5.84770631    -13.57111845
  O     19.88770835      7.01932668    -12.92061086
  H     13.13440484      4.57354800    -12.12063905
  H     14.09829217      9.62627219    -10.61455058
  O     12.32105681      7.30287462    -13.48502644
  H     16.49188520      4.16845482    -10.74718179
  H     14.17951180     10.25545009    -12.01367825
  O     12.62707807      1.55334808    -11.45744317
  H     17.99726473      4.54567335    -10.94579710
  H     15.15971212      6.18257297    -12.27469791
  O     14.90129642      1.41660052    -10.00832380
  H     19.38808471      7.85258454    -12.85018957
  H     15.70158714      7.60454752    -12.51748299
  O     18.38863187      9.26639158    -12.79039362
  H     20.74775121      7.24486353    -13.26422037
  H     14.14756490      7.59839474    -10.67709002
  O     17.17131370     10.32881945    -10.44044782
  H     11.81616493      7.13590277    -12.67915062
  H     12.65039972      7.59196620    -10.27297915
  O     14.18596375      5.04276268    -13.56924032
  H     12.87514232      6.52596890    -13.61754126
  H     15.34094495      2.01650503    -13.12288907
  O     16.01457541      8.59468815    -14.07700579
  H     13.40063803      1.41707141    -10.87946684
  H     13.81401970      1.96782182    -12.93808197
  O     15.93384718      6.13697586    -15.44108682
  H     12.05122727      0.80468254    -11.33265408
  H     11.61730957      5.74097157    -10.99896754
  O     17.84692968      5.27276055    -13.80464673
  H     14.99784467      2.32766155     -9.69615028
  H     10.32037322      6.47885447    -10.58479857
  O     14.53458007     10.32584334    -11.12096109
  H     15.62134168      1.27780971    -10.63619092
  H     18.63131617      6.40712369    -10.06119752
  O     15.44931005      6.98138625    -11.82316295
  H     18.07500620      9.69369718    -11.98488233
  H     19.58138745      6.15302366    -11.24140121
  O     13.50979342      7.96127513    -10.04230271
  H     17.60150339      9.12001170    -13.33333354
  H     17.10249746      2.38969357    -11.83526124
  O     14.51064941      2.35743475    -13.47974673
  H     17.36374763     11.11565892     -9.93748711
  H     17.65303398      1.03158646    -12.33042842
  O     11.18491796      6.61188775    -10.96429872
  H     16.23171962     10.38094825    -10.69002939
  H     15.97555161      6.89420365     -8.50724762
  O     19.20958285      5.73721044    -10.45391369
  H     14.70948313      5.42304412    -14.28656975
  H     14.46095150      7.06539774     -8.62705967
  O     16.84733069      1.49051862    -12.10961046
  H     14.33226843      4.08284797    -13.60316342
  H     17.30755622      8.53927542     -9.84387797
  O     15.13696251      6.51880447     -8.20592572
  H     15.95639826      7.84458628    -14.68250244
  H     16.68232377      7.27834587    -10.46932050
  O     17.24345014      7.58269695     -9.74024900
  H     15.16950665      9.06249008    -14.09292234
  H     13.03098931      8.89360179    -13.66742701
  O     13.49452690      9.74423678    -13.76385285
  H     16.67505026      5.79763637    -14.90139828
  H     12.93165514     10.30673325    -14.28922997
          69
 Ord_Energy   -248.643951    
 O   -9.42393684       2.21128225       3.29171133    
 H   -9.42410946       2.92897987       3.93675661    
 H   -8.62357712       2.33763504       2.76514244    
 O   -4.62096977     -0.737063408      -1.32804251    
 H   -5.44405556      -1.03093481     -0.903162658    
 H   -4.43887949      -1.35430026      -2.03213286    
 O   -7.74186516      -3.02866387       1.98014510    
 H   -7.05035400      -3.12409377       2.64595509    
 H   -8.53652859      -2.73058987       2.43873096    
 O   -9.12325287      0.113671958     -0.974969208    
 H   -9.61829090      0.184686288     -0.138602316    
 H   -9.76723576      -5.64236008E-03  -1.66798139    
 O   -6.95567179       2.57610655       1.94412005    
 H   -6.69561768       1.64839756       2.07059121    
 H   -7.25077629       2.68138790       1.02545547    
 O   -6.22838926       2.04959903E-02   2.25560021    
 H   -6.49701500     -0.459930658       1.46206665    
 H   -5.33875036     -0.273672193       2.49287772    
 O   -8.92670536       4.09007454       5.37702751    
 H   -8.91018963       3.37589383       6.03957653    
 H   -9.41019154       4.81586409       5.76192808    
 O   -8.73360538       1.91782558       6.99004221    
 H   -9.17143250       1.18930066       6.53387308    
 H   -7.78760147       1.72167230       6.94728136    
 O   -5.00696564       2.10635543      -1.43461323    
 H   -4.49673653       2.41425443     -0.676782966    
 H   -4.83766460       1.15800416      -1.49681151    
 O   -9.57127666      -2.00254191E-02   5.01342154    
 H   -8.66137123     -0.358955979       5.02256775    
 H   -9.56597710      0.752539754       4.42962122    
 O   -3.56884313       3.61841607       3.90661860    
 H   -3.09506226       4.37372589       4.24722242    
 H   -4.49999380       3.73733592       4.15600443    
 O   -5.57430792      -3.09833741       3.93238902    
 H   -4.88858795      -2.46620703       3.65149498    
 H   -5.11725235      -3.86452627       4.26885796    
 O   -6.30104160       3.62236714       4.40073490    
 H   -7.12431765       3.95550394       4.77710915    
 H   -6.51714277       3.32613587       3.50317192    
 O   -6.95578575      -1.38413942      -4.41822782E-02
 H   -7.72073412     -0.925867498     -0.416482180    
 H   -7.27066660      -2.07122064      0.563615859    
 O   -6.97851038     -0.823804498       4.75724220    
 H   -6.56249762      -1.69293296       4.74819326    
 H   -6.84244919     -0.475263000       3.86241055    
 O   -10.1709099      -1.99765348       3.18505335    
 H   -10.0487576      -1.36825955       3.91439652    
 H   -10.9171019      -2.54520822       3.41919112    
 O   -3.49859238      0.939094961       5.00177240    
 H   -3.35109711       1.81143606       4.61906052    
 H   -4.24767208       1.04696894       5.60050011    
 O   -4.09596395       2.66728806       1.27072716    
 H   -3.73721623       3.04531026       2.08264089    
 H   -5.05248499       2.67904019       1.39275718    
 O   -3.84106851      -1.10921335       3.20534182    
 H   -3.64282107     -0.450669378       3.88840723    
 H   -3.40149117     -0.824340641       2.38964033    
 O   -7.62665081       2.55023503     -0.648107886    
 H   -6.75594044       2.43581390      -1.05912185    
 H   -8.14520454       1.76988959     -0.872401357    
 O   -3.03379536       3.92714404E-02  0.900507271    
 H   -3.31853509      0.954872370       1.02015972    
 H   -3.47540116     -0.274925321      0.102207117    
 O   -6.05789232       1.39467084       6.18884897    
 H   -6.34142017      0.591243207       5.72762632    
 H   -6.12653494       2.12363863       5.55673981    
 O   -10.3496981      0.256657720       1.42005515    
 H   -10.1915693      0.991322041       2.02478409    
 H   -10.3416691     -0.546235979       1.95466149    
          69
 Energy    -248.64382511535865     
  O     16.03555534     10.84231583     -9.18367515
  H     15.14823898     10.71869103     -9.55003360
  H     13.24291487      5.88352781     -4.28031758
  O     15.19860414      4.17853695     -8.47019655
  H     16.66602149     10.60512035     -9.87821076
  H     16.82799780      7.00531555    -11.45876805
  O     16.69647771     12.21542368     -6.94024799
  H     15.09795122      3.25289455     -8.67538737
  H     16.40805064      7.57807861    -12.82772794
  O     12.84902207      5.26137061     -7.71817464
  H     14.31315683      4.51782010     -8.24112325
  H     16.00333006      7.10056794     -9.17001802
  O     13.64524313     10.20422188    -10.35774969
  H     16.50784577     13.14620411     -7.02629082
  H     15.87797680      5.57037709     -9.43928637
  O     17.71289871      9.98570673    -11.18652438
  H     16.41468217     11.79325906     -7.77068871
  H     18.89492211      8.74115765     -3.90997260
  O     19.77205293      9.49391351     -9.33744568
  H     12.34554350      5.89151983     -8.24733631
  H     18.22644403      8.30502904     -5.23581844
  O     11.57947284      7.09760822     -9.45506467
  H     12.92592379      5.63104159     -6.83033635
  H     16.16360697     10.57126000    -12.25235322
  O     15.83103525     10.30760437     -4.98604345
  H     13.73552231      9.27954591    -10.62204653
  H     14.65648337     10.68911013    -11.93276652
  O     12.08403279      9.64621680     -8.18511603
  H     13.03641445     10.19304528     -9.60365322
  H     15.00932246      8.46411666     -7.36769436
  O     13.79213470      8.84881434     -6.10339196
  H     17.56962044      9.11370700    -11.58601421
  H     15.94583131      9.21657309     -8.35025265
  O     13.54152538      6.23385771     -5.11527973
  H     18.50126404      9.89891658    -10.63584138
  H     18.33596319     11.27065880     -6.95737107
  O     17.15611098      7.49527924    -12.22451959
  H     19.52647812      9.90068466     -8.48772275
  H     18.95938289     10.12029163     -6.15513830
  O     16.12138983      6.41257815     -9.84509253
  H     20.70131039      9.66996040     -9.46456342
  H     15.78925302      4.71714409     -6.70154002
  O     18.41220681      9.07010966     -4.66344200
  H     12.30400842      7.19310769    -10.09553333
  H     16.63707776      5.77160452     -5.96373707
  O     15.28760430     10.58960181    -12.65782240
  H     10.78382645      6.95028955     -9.96138585
  H     14.54419515      7.03700997    -10.67904186
  O     15.75934320      8.35098014     -7.96678301
  H     16.06252453     11.03174780     -5.58130252
  H     13.99545668      7.57909240    -12.02636008
  O     19.05028455     10.62206794     -6.97391191
  H     16.66954452      9.89846674     -4.74259535
  H     19.26549748      7.65680795     -9.12506137
  O     15.91338686      5.14213124     -5.84475483
  H     12.60528113      9.45426800     -7.39321088
  H     18.19937988      6.57234895     -9.39031420
  O     13.77194495      7.43864801    -11.09665136
  H     11.78180367      8.79046879     -8.51202743
  H     17.03264367      7.64647916     -6.89337560
  O     18.98889176      6.76484122     -8.87616506
  H     13.66151372      8.00624374     -5.65142581
  H     18.34823976      6.91195341     -7.18777313
  O     17.75170277      7.15637618     -6.46644985
  H     14.43781092      9.37181854     -5.60270629
  H     14.91479235      9.04498729    -13.39151522
  O     14.72734331      8.11953003    -13.63343846
  H     14.41206535      5.83433844     -5.29417357
  H     14.50936412      8.11422510    -14.56108661
          69
 Energy    -248.64379499092831     
  O     12.53937099      9.61497776    -15.44413687
  H     12.71277077      9.62593490    -14.48536989
  H     15.80050158      9.20699875    -17.76389874
  O     17.11126246      6.31912420    -12.76356604
  H     11.68942859     10.02725476    -15.57270190
  H     15.27637093      7.65443088    -15.05957009
  O     18.93330648     10.64649100    -13.26575802
  H     16.91687023      5.43112071    -13.08330960
  H     16.11845363      8.87956118    -14.56764207
  O     13.67324365      5.30353790    -13.59704524
  H     16.73394470      6.92065213    -13.42827344
  H     13.79578138      9.90373190    -12.32154345
  O     15.61597339      7.54404458    -10.78232522
  H     18.68845517     11.08638909    -12.44271507
  H     12.95577091      8.61600268    -12.37784887
  O     16.31195945     10.65107118    -14.20851957
  H     19.04851656      9.70923544    -13.04750432
  H     18.65945556      8.55779048     -9.52220213
  O     16.54953641      4.95274798    -16.63370216
  H     13.58652665      5.86336208    -14.38263377
  H     19.40200148      8.61800597    -10.88510176
  O     17.39151893      7.59063970     -8.66042447
  H     14.48162546      4.79411841    -13.71984094
  H     13.22546042      6.28538242    -12.26774345
  O     18.09893020      7.29237019    -16.52315869
  H     16.15353149      7.06007371    -11.42608588
  H     12.25222721      6.53744128    -11.09002185
  O     16.19289256      4.02114644    -14.10796194
  H     14.69646845      7.29495295    -10.93855434
  H     19.97774214     10.70488654    -14.73677047
  O     20.60685119      7.78617846    -15.24902190
  H     15.90802018     10.58348007    -13.33244399
  H     20.16434723     11.08303530    -16.21817214
  O     16.17655777      8.46759640    -18.26458084
  H     17.26119181     10.71936138    -14.04386462
  H     18.64116562      7.30567353    -12.67374280
  O     16.12636047      7.92224793    -14.68876799
  H     15.84085730      5.25192580    -17.21442898
  H     19.87609679      7.76153625    -13.49625994
  O     13.05943597      9.48557883    -12.78376111
  H     17.21409922      5.65489708    -16.66004674
  H     18.43452750     10.62381009    -10.41603102
  O     19.20414277      9.12397216    -10.08812008
  H     16.68963668      7.55121414     -9.32951565
  H     18.17844369     12.12115005    -10.11059384
  O     13.00414078      6.90370553    -11.54721771
  H     17.25163621      6.84248721     -8.08584238
  H     14.23456711      6.10700293    -19.10628395
  O     20.48408090     10.49441821    -15.53822877
  H     17.44860813      7.54508017    -15.84898111
  H     15.13880570      7.10207350    -18.33675216
  O     19.37169895      7.93965812    -12.69324801
  H     18.97114945      7.41481598    -16.13512792
  H     16.26444313     10.73198746    -11.19438530
  O     17.97292999     11.42507312    -10.72819532
  H     16.31918654      4.32087910    -15.02643150
  H     15.59846343      9.33660789    -11.26496087
  O     14.57375425      6.31228602    -18.24009463
  H     16.36568092      3.08364555    -14.10222171
  H     15.49560553     10.70332089    -15.89441390
  O     15.51258370     10.25299773    -11.56388427
  H     21.45609154      7.43472267    -15.50435642
  H     14.11721058     10.24453995    -16.37104345
  O     15.00338794     10.45464830    -16.68786428
  H     20.63880895      8.74504369    -15.41318567
  H     13.17493720      7.91099728    -15.73885596
  O     13.65452706      7.07282078    -15.72508401
  H     16.96511044      8.17500768    -17.79107084
  H     13.85376387      6.81486527    -16.63454314
          69
 Energy    -248.64373906466506     
  O     14.64848781      4.48451738    -10.60735506
  H     14.81569463      5.24108733    -10.03146828
  H     13.53563035      8.98593933    -13.62135293
  O     14.73337849      9.28169830    -16.49648343
  H     15.43090107      4.37082095    -11.15854519
  H     17.30282653      9.33396702    -12.65521990
  O     18.03115348      8.68627642    -14.17599996
  H     14.07835240      9.29707126    -15.77745507
  H     16.57371090     10.58868671    -12.09866187
  O     10.88194168      7.46107915    -14.12274160
  H     14.26567412      9.49911800    -17.29899132
  H     13.92240087      8.33839293    -11.44185341
  O     16.87402177      4.52487015    -12.44612633
  H     18.76477198      8.10334127    -13.93628625
  H     15.26739043      8.80853773    -12.08655852
  O     12.26912858      5.13929689    -14.11187375
  H     17.42356562      8.14340187    -14.69549353
  H     12.99465042      4.30133451    -11.14645488
  O     17.39544107      7.74407277     -9.93973251
  H     11.34799247      6.60869969    -14.20313460
  H     11.71250014      3.44973477    -11.02271422
  O     12.43448555     10.99627259    -10.20154085
  H     10.03194315      7.35091787    -14.54072775
  H     19.30433598      5.98222183    -14.09355366
  O     17.98265234      4.92207107    -15.07656260
  H     17.55819155      4.92224285    -11.88935933
  H     19.56292713      6.36546317    -12.62699753
  O     15.99418984     12.15583557    -12.98951049
  H     17.25664412      4.47272524    -13.33084696
  H     15.48833169      5.48744367    -13.17411239
  O     13.19579891     11.64373025    -12.76037620
  H     13.20042429      5.40077597    -14.07919774
  H     14.68052724      6.81162557    -13.10086316
  O     13.00026360      9.28033930    -14.37501806
  H     12.11187382      4.69228773    -13.27042251
  H     16.07165544     10.45955740    -15.78213836
  O     16.82064438      9.68032471    -11.88870009
  H     17.22353277      8.50236951    -10.51307272
  H     17.36736210     10.24732915    -14.97726250
  O     14.44665401      8.32676534    -12.25199326
  H     16.54780796      7.47020794     -9.56894009
  H     15.72141821      6.68906970    -15.02326131
  O     12.06687306      4.23382631    -11.43339646
  H     12.68596573     11.25914842    -11.10261549
  H     15.80517970      7.75682544    -16.14243943
  O     19.74535213      6.63501037    -13.53646540
  H     11.84308155     11.67443989     -9.88647060
  H     19.47236539      5.43540422    -10.27557521
  O     14.85915147      6.03789953    -13.65615202
  H     18.17137903      4.34513813    -15.81301124
  H     18.39383713      6.50760175    -10.56455483
  O     16.75174277     10.92772223    -15.28374894
  H     17.43790551      5.64561945    -15.42677344
  H     10.94631076      7.17621889    -12.18185503
  O     16.30536592      7.05731621    -15.70705473
  H     16.38947880     13.02097475    -12.91988452
  H     11.35594235      5.98415957    -11.29144208
  O     18.89595836      5.77023469    -10.95696438
  H     16.25523276     11.79646433    -13.85645808
  H     14.83283126      6.67256970     -7.95845654
  O     11.08374858      6.91075791    -11.26576218
  H     13.02378025     10.95120180    -13.40916166
  H     14.20906961      7.34869703     -9.19885965
  O     14.93318323      6.77034150     -8.90245809
  H     14.13144504     11.86691848    -12.84380402
  H     12.75358802      9.27900562     -9.91388677
  O     12.95940911      8.33300883     -9.90951612
  H     12.19917148      8.74156099    -14.35779357
  H     12.21633575      7.85527957    -10.31014680
          69
 Energy    -248.64373364959215     
  O     18.34713594      8.69799591    -10.12124483
  H     18.52817589      8.88254710     -9.19212297
  H     18.66912600     12.01006195     -9.88218131
  O     15.02704030      8.91781832     -9.00990744
  H     17.63606544      9.28602437    -10.41062620
  H     18.65547046      8.42041499     -6.98452115
  O     19.80786208      4.29047389    -13.49601765
  H     15.42519416      8.09356098     -8.68375860
  H     17.97460716      9.80100716     -7.28329860
  O     21.89218981      7.22964061    -11.52842774
  H     15.37185661      9.61888580     -8.44627275
  H     19.73758229      8.87782905    -12.90635149
  O     19.16872390      7.81705527    -14.32142723
  H     18.95860568      4.61041569    -13.82467067
  H     19.48297109      9.01341282    -11.37972273
  O     22.61493986      7.68714633     -8.86632399
  H     20.46859663      4.90262099    -13.84259360
  H     22.48225180      6.39806159    -14.63341072
  O     16.22966778      6.60288411     -8.17481029
  H     22.27722291      7.35424969    -10.65221961
  H     21.87076121      6.66369663    -13.24002576
  O     20.50799937      5.85653531     -8.18291208
  H     21.32488671      7.99771472    -11.69218381
  H     16.75121795      5.79674111    -13.80999671
  O     18.54938224      6.65334447     -6.49959188
  H     20.04536282      7.42331953    -14.41847388
  H     16.95037480      5.30919818    -15.26083678
  O     17.61771723      6.09356087    -10.55121883
  H     18.55514872      7.07300998    -14.39063996
  H     15.68193966      9.84483878    -10.55086971
  O     16.48834605     10.91612592     -7.50320414
  H     22.16291937      8.53571450     -8.70606172
  H     16.33408386      9.94057365    -11.98073655
  O     17.75913617     12.10757088     -9.58293010
  H     23.44493870      7.72427319     -8.39867786
  H     16.25866759      8.11619376    -13.17312610
  O     18.77723253      9.27979858     -7.40938762
  H     16.93208637      6.57416297     -7.51533205
  H     17.45959590      8.78739272    -13.86169515
  O     20.09479284      9.25827050    -12.09440798
  H     16.62302211      6.23804460     -8.97932024
  H     20.43705864      9.80756579     -7.97959290
  O     21.65578462      6.42741084    -14.15784607
  H     20.35568250      5.40298368     -9.02161738
  H     21.04653091     10.60996482     -9.15001011
  O     17.42364999      5.57323784    -14.47536573
  H     21.25283579      6.44993173     -8.33566811
  H     14.03287222      8.02248293    -10.27481973
  O     16.30548122     10.33869267    -11.09789415
  H     18.65324401      6.19517181     -5.67016955
  H     12.74446866      7.42017734    -10.84938951
  O     16.61501750      8.97464541    -13.44128210
  H     19.24555746      6.31837252     -7.09408721
  H     20.88161581     12.29194391    -11.13526589
  O     21.26301766      9.98040591     -8.45301333
  H     18.44668551      5.61389806    -10.66306230
  H     20.34243725     10.85184953    -11.26842310
  O     13.67494813      7.53132311    -11.02967216
  H     17.86507317      7.01762472    -10.39091983
  H     14.94128617      6.74378901    -12.07222880
  O     20.42113585     11.60440133    -10.65954918
  H     16.94700232     11.42041540     -8.20039230
  H     16.38848360      6.24851267    -11.80379726
  O     15.74918414      6.44139466    -12.50788354
  H     16.14019085     11.55562127     -6.88742490
  H     20.75309053      5.79425302    -11.06882261
  O     20.17636021      5.04487827    -10.87014897
  H     17.21400765     11.64746951    -10.24044103
  H     20.03560525      4.59586646    -11.71608007
          69
 Energy    -248.64361979203505     
  O     15.53181150      9.68226666    -15.98155753
  H     15.97083084     10.26556626    -16.62762225
  H     17.74077577     11.49075418    -17.71807435
  O     17.79190167     16.01476051    -16.15305925
  H     15.04045639      9.03699282    -16.48210514
  H     18.80355179     10.35994328     -8.69414768
  O     20.20202554      9.98442371    -15.68523789
  H     18.50560749     15.46395405    -16.52689617
  H     18.87118743     11.57685980     -9.63540833
  O     19.09832107     13.34107932    -10.06797358
  H     17.66198082     16.74463902    -16.75189422
  H     21.38429718     16.83194131    -12.12140376
  O     15.10829758     12.19963961    -11.75265858
  H     20.67711724     10.57591690    -15.08489789
  H     19.85486408     16.73408251    -12.32448216
  O     16.99330124     10.00141639    -11.68739308
  H     19.41797921      9.68577790    -15.20492623
  H     20.46951446     12.47864464    -10.90228783
  O     19.62468927     11.65719170    -17.74745688
  H     18.46174990     13.57443693    -10.75910708
  H     20.88666857     11.02145243    -10.81102785
  O     21.14480108     14.72439733    -14.48916812
  H     19.51478873     14.15237464     -9.75288586
  H     17.49218459      9.59342553    -13.34500638
  O     20.56220523     15.61626422     -9.38917131
  H     14.89281374     12.07862851    -12.69615979
  H     16.97991292      9.48041815    -14.81946374
  O     21.12887909     12.01444955    -13.98442831
  H     14.27814306     12.23520004    -11.28579183
  H     19.75142850     13.48066798    -17.21552306
  O     14.66724848     11.90614414    -14.39231857
  H     17.62553390     10.14300109    -10.97240311
  H     20.42550850     14.46760482    -16.22172294
  O     16.78692327     11.47552978    -17.57467349
  H     16.34315747     10.71076631    -11.62443794
  H     22.97061139     15.31009357    -12.06046541
  O     18.86042215     10.60632874     -9.61461296
  H     19.83981463     11.03326120    -17.03210353
  H     23.87614422     16.29006789    -12.84586252
  O     20.53652636     17.01502307    -11.69846047
  H     20.12229808     11.37454737    -18.51094214
  H     18.33228062     16.00387598    -14.35749033
  O     21.16091485     11.86011241    -11.18625847
  H     20.31869043     15.06850325    -14.12086884
  H     18.16775258     15.22717731    -13.01529195
  O     17.77040856      9.57733362    -14.27419000
  H     21.86138996     15.17288659    -14.02384499
  H     22.06453258     14.65095699    -10.13394795
  O     19.80293372     14.40900996    -16.95816286
  H     20.50565843     16.17823120    -10.18349617
  H     22.37265611     13.32442844    -10.85854788
  O     22.98375691     15.96062790    -12.78538352
  H     20.58910737     16.20197693     -8.63767388
  H     18.05819146     11.36277717    -14.21950416
  O     18.74191559     15.83573342    -13.49945035
  H     21.21580592     11.90894245    -13.02837432
  H     19.30924205     12.26078913    -14.18588046
  O     22.70402135     14.21889825    -10.71436830
  H     21.27421149     12.94979519    -14.18352780
  H     16.73628652     14.47669842    -15.92638679
  O     18.34551423     12.28581245    -14.18805046
  H     14.83127149     11.08730569    -14.87448051
  H     17.16987106     13.15090443    -15.25903192
  O     16.44945232     13.57429681    -15.75259110
  H     15.14344152     12.59480137    -14.87702730
  H     16.51571847     13.40618665    -11.92442133
  O     17.36841702     13.79861952    -12.14782358
  H     16.58636251     12.28978829    -17.09290002
  H     17.74445195     13.22678924    -12.83694264
          69
 Energy    -248.64360122937148     
  O     14.51209429      9.80515215    -10.52273930
  H     15.28923776      9.97780208     -9.97627542
  H     18.05699845      4.77645764    -11.72543662
  O     13.36195446     10.87905892    -16.36661747
  H     14.46532597     10.45642276    -11.23585106
  H     12.14527131      7.72567611    -10.78233301
  O     16.93974842     10.66227413    -13.69663226
  H     13.46896439     11.72615142    -15.91637711
  H     13.18414591      8.64151861    -10.09394152
  O     13.12583185      5.44889779    -13.37040247
  H     13.02093997     10.26814912    -15.70064852
  H     18.22213844      7.51594084    -15.19509716
  O     16.78512954      7.05697390     -8.83884698
  H     17.48917502     10.62140866    -12.90111895
  H     19.69924512      7.07093688    -15.24678539
  O     16.57041632     12.48072616    -15.79429292
  H     16.02786175     10.78927806    -13.40405558
  H     15.02097913     13.06449208    -15.20742043
  O     15.61712695      7.75531120    -12.08513943
  H     13.69847914      5.91695142    -13.99228237
  H     13.94935079     14.14149109    -14.90821079
  O     14.28352968     11.16771709    -12.91736058
  H     13.69426262      5.17567134    -12.63758895
  H     13.50287124      8.52074906    -14.45102084
  O     18.43189998      7.60442156    -12.08802503
  H     17.23879195      6.40550970     -9.38406219
  H     12.21253941      8.68052644    -13.62022471
  O     18.33462251     10.27127025    -11.37579717
  H     15.89274226      6.71446777     -8.69769186
  H     14.85949876     10.48953781    -17.18786795
  O     18.39260578      4.39282480    -13.51991938
  H     16.87925736     11.94575003    -15.04867222
  H     15.63411878     10.36011655    -18.51948654
  O     17.70433328      5.18119544    -10.91995554
  H     16.42018186     11.85620021    -16.51369305
  H     10.49621047      7.09011023    -12.59956482
  O     12.60305872      7.88101869     -9.94852021
  H     15.23882995      8.45124095    -11.53488803
  H     11.95948487      6.63594644    -12.80955279
  O     18.86672239      6.89813777    -14.81214833
  H     16.57886146      7.83413610    -12.05607887
  H     13.63650864      5.70763276     -7.89309490
  O     14.12195807     13.20551877    -14.85936748
  H     14.16380473     11.96465669    -13.44770405
  H     13.51428433      6.71592990     -9.06215279
  O     12.82458640      9.16126101    -14.18915735
  H     13.73908253     10.47760227    -13.32489873
  H     14.55689633      5.32424949    -10.30609875
  O     15.74318640     10.34688461    -17.57243082
  H     18.66891060      7.38296568    -12.99606406
  H     15.13070296      6.12304814    -11.49507394
  O     11.40188833      7.37562025    -12.50852094
  H     18.29430666      6.77117430    -11.61649682
  H     15.54424408      7.70423123    -15.17246952
  O     14.10310674      6.05991454     -8.64563601
  H     18.54723883      9.34780942    -11.57655519
  H     15.09493566      7.45091739    -13.72487764
  O     14.91471902      5.22400896    -11.19722543
  H     17.89200939     10.24314680    -10.52007862
  H     16.87693949      8.81190675     -8.91296420
  O     14.83320401      7.31587254    -14.65140187
  H     18.52455612      5.19087013    -14.05053121
  H     17.06953220     10.12042437     -8.11355958
  O     16.84936842      9.78331305     -8.97806212
  H     17.83228537      3.82377686    -14.04472687
  H     16.66881922      9.21196768    -16.43521884
  O     17.03133793      8.74338330    -15.67332194
  H     16.74670362      5.05272282    -10.97963690
  H     17.03985543      9.38015865    -14.94074959
          69
 Energy    -248.64289277639455     
  O     12.37437953     10.59210000    -15.06533243
  H     12.99796389     11.32777924    -15.09684854
  H     15.25374188      5.50263524    -14.67344576
  O     15.72288172      6.21424995    -13.03527291
  H     12.71408910      9.90544974    -15.65318741
  H     18.70046095      8.96656455    -13.25200986
  O     18.10563870     10.57521741    -12.55314939
  H     15.16754102      6.44795485    -12.27822896
  H     18.58331094      8.17759454    -14.57098289
  O     18.26626618     11.26044392    -15.35539282
  H     16.62141713      6.07599727    -12.71167984
  H     16.78241763     13.29564445    -17.22173677
  O     12.17720133      6.06808521    -15.35112171
  H     17.17283854     10.80478489    -12.67583933
  H     17.11915014     12.38899848    -16.02553681
  O     15.52687099      9.77547621     -8.93096119
  H     18.21304072     10.43339246    -11.60476824
  H     14.59703472      8.54065947    -14.92473157
  O     14.08713176      7.14162479    -11.00556315
  H     18.09049347     10.37953466    -15.71266342
  H     15.45999968      7.81462766    -13.83992593
  O     15.39594201     11.02545177    -12.97363651
  H     18.38507654     11.14447598    -14.40559092
  H     10.52639785     10.20283141    -12.56296512
  O     15.69737233      6.98659218    -17.55793195
  H     12.08051783      6.37254924    -14.43027325
  H     11.72600475     10.11215697    -13.53626572
  O     15.44221089      6.92108874     -8.56472060
  H     11.38427519      5.58419295    -15.56439773
  H     18.10122059      8.08862640     -9.75170353
  O     17.45951271      8.63419882    -16.01947822
  H     14.82935653      9.94043225     -9.57931371
  H     18.11484540      6.72864289    -10.49472245
  O     14.91918791      5.31224204    -15.56057907
  H     15.41939963      8.85592005     -8.65882757
  H     11.67640739      7.95721942    -12.78725010
  O     18.92702930      8.12503286    -13.67088083
  H     14.45753729      6.94767442    -10.13595826
  H     12.62186498      6.91206188    -12.16553548
  O     16.42836754     12.96105260    -16.40277432
  H     14.01001957      8.10530207    -11.05837088
  H     19.00951616      5.28539131    -12.35986384
  O     15.30315180      8.66164996    -14.27810591
  H     15.34749189     10.18291978    -13.45702967
  H     18.64800158      6.74824348    -12.72387179
  O     11.39157833      9.81681693    -12.67004250
  H     15.02283511     11.69988193    -13.55202571
  H     18.60512525     10.48749810     -9.12273636
  O     17.89931473      7.15013375     -9.65357137
  H     15.78641323      6.50235447    -18.37438242
  H     17.18074271     10.00672089     -9.47996901
  O     11.95122312      7.03388201    -12.84907040
  H     15.49437857      6.33095776    -16.86551323
  H     12.86239426      9.94982897    -11.51072232
  O     18.38802545      5.98410099    -12.17539319
  H     15.46004793      6.37644458     -7.78310968
  H     14.33657643     10.37749183    -11.68744965
  O     18.10679284     10.00982330     -9.78151487
  H     16.34883438      6.93168469     -8.92396925
  H     14.98501233     12.83694413    -15.46619273
  O     13.72742033      9.92584600    -11.08453126
  H     16.75443711      8.73510306    -15.36092970
  H     13.91550682     13.64229451    -14.69637155
  O     14.22010144     12.75504103    -14.86952364
  H     17.06427773      8.09005543    -16.70788435
  H     12.93905121      7.57678361    -16.10865671
  O     13.46214490      8.34311011    -16.38387625
  H     13.96096172      5.41313012    -15.50018674
  H     14.17468340      8.00617524    -16.94115104
          69
 Energy    -248.64258931241605     
  O     14.49432789     12.71790683    -13.47878672
  H     15.02922828     12.14201007    -12.91767971
  H     17.20215066     10.26298100    -16.78383815
  O     14.26967637      6.94395147    -13.92326838
  H     13.58799452     12.60328758    -13.16639900
  H     14.55031918      9.81836477    -15.14745615
  O     17.62730391      8.71921605    -11.33437194
  H     13.55379001      7.02399269    -13.28232959
  H     16.05126055      9.40817042    -14.89445020
  O     17.81281939      9.26531719    -15.37882860
  H     14.55030771      7.85098675    -14.12718715
  H     11.60993241     11.49625370    -13.25304608
  O     13.34435274     10.42243821    -16.41826383
  H     17.34260248      7.95598833    -11.85826269
  H     11.15646970     12.61587118    -12.28478536
  O     14.05357437      8.46376175     -8.84759161
  H     17.42278133      8.51861637    -10.41273374
  H     16.28399436      5.77913334    -11.13691431
  O     12.35452808      7.45432463    -11.95866788
  H     18.36231329      9.59325090    -14.65248961
  H     16.31068115      6.32777249     -9.69650489
  O     15.63646516     10.55383338    -12.07672219
  H     17.95337350      8.31234699    -15.43692230
  H     11.04543232      7.67387595    -13.19911536
  O     15.41306770      6.49531987    -16.46764337
  H     13.81143568     11.26821127    -16.46846486
  H     10.28468860      7.07208495    -14.38956435
  O     13.25668462      5.87972928     -9.82385281
  H     13.70473519      9.84654708    -17.10455048
  H     19.61631090     10.82531365    -12.77898737
  O     17.90759476      6.44374242    -15.42148261
  H     13.66865415      7.60317363     -9.05401680
  H     18.76958366      9.58829384    -12.43661370
  O     16.63823615     10.68812624    -17.44621127
  H     13.67743496      9.08199217     -9.48799376
  H     15.85488258      6.59654610    -13.12963078
  O     15.16524656      9.44008151    -14.50828306
  H     12.60009873      8.34404210    -11.66564200
  H     17.30493657      6.38406124    -13.60062201
  O     11.88975361     12.04500609    -12.49604085
  H     12.56513358      6.85035218    -11.23614606
  H     17.05014739      8.07458777     -7.90282190
  O     15.92912289      5.63526170    -10.25016198
  H     15.43041066     10.17964249    -12.94928384
  H     15.77932143      8.23018436     -8.77152285
  O     10.44588875      7.89238177    -13.92955981
  H     16.36435517     10.02514887    -11.73184046
  H     14.79571391      8.66381279    -19.09576434
  O     19.24073676     10.03447946    -13.15814506
  H     15.15945521      7.23837275    -17.02789306
  H     15.53648463      9.44056128    -17.98028461
  O     16.76514627      6.50201003    -12.81103495
  H     14.85915622      6.53404301    -15.67589240
  H     12.60858027     10.68282539    -11.41745563
  O     16.72230460      7.98609742     -8.79351875
  H     14.19859268      5.71104938    -10.00538529
  H     14.05555110     10.16341513    -11.33660359
  O     14.84205537      8.77815205    -18.14989306
  H     12.92341894      5.11458695     -9.36317314
  H     14.85467866     12.71913172    -15.19132866
  O     13.14994270      9.97551229    -11.04762366
  H     17.03749079      6.39084767    -15.85828087
  H     14.93600474     13.58108953    -16.46915870
  O     14.98938906     12.68208772    -16.15516394
  H     18.48026495      5.82513951    -15.86641407
  H     10.89829471      9.59536750    -14.40694628
  O     11.23119284     10.48891930    -14.56661013
  H     16.20788115     11.43016824    -17.00472178
  H     11.88657327     10.42582748    -15.27246013
          69
 Energy    -248.64252726172532     
  O     15.93663147      4.84972742    -16.39373337
  H     14.98001996      4.82849630    -16.26591969
  H     17.42607988      4.57880556    -12.98879092
  O     17.94563357      6.26808989     -9.69348844
  H     16.16611538      5.78806179    -16.42312200
  H     17.17108683     10.97197242    -16.87893725
  O     14.30214989     11.07859255    -10.11802597
  H     17.95737477      5.91512508    -10.59201588
  H     17.73452783     10.31059382    -15.60236843
  O     19.13826217     10.10481833    -14.42779576
  H     18.06661627      7.22419621     -9.76121698
  H     15.97624354      9.60762004    -12.29350396
  O     16.98509006      3.38079323    -14.36211037
  H     14.93188480     10.89221086     -9.41076474
  H     16.73385037      8.31795851    -12.76101457
  O     12.57168552      8.76936120     -9.97766696
  H     13.64221156     10.37709929    -10.07213173
  H     13.49035533      4.45157540    -14.77980019
  O     15.63464211      5.48788012     -8.53252419
  H     20.06467574     10.27701487    -14.57291825
  H     12.42512292      4.53571030    -15.89853335
  O     13.77358942      7.35211744    -11.97897389
  H     18.91343436     10.48982324    -13.56028143
  H     15.54715175      9.38380368     -7.96541626
  O     18.40786110     11.06342155    -12.03739163
  H     16.68625444      3.89740929    -15.13202363
  H     16.21974567     10.55681385     -7.21070292
  O     14.47250822      8.02762792     -7.98646036
  H     17.47740983      2.63895992    -14.70341699
  H     15.05837702      5.04551592    -10.25563969
  O     16.23213242      7.60545895    -16.04020980
  H     11.62016070      8.76733741    -10.04248874
  H     15.81786888      5.12789648    -11.60195451
  O     17.49598518      5.30651132    -12.35761644
  H     12.90592995      8.25330623    -10.73043992
  H     15.11995150     11.40416184    -11.66895627
  O     16.98141540     10.31433667    -16.21355324
  H     16.50059880      5.77045975     -8.88104044
  H     15.13431308     11.21542837    -13.23455128
  O     16.10782244      8.66588510    -12.11436933
  H     15.81026894      4.86969744     -7.82787965
  H     17.19259297      8.88565888    -10.68817961
  O     13.19391366      4.97580753    -15.54583193
  H     14.02913802      6.45797491    -11.71720068
  H     17.36774134      9.50093899     -9.28243698
  O     16.11687600     10.16722621     -8.07467437
  H     14.59863521      7.86673230    -11.98100957
  H     13.70016766      7.55451456    -13.80156926
  O     14.94492704      4.97256757    -11.21076097
  H     17.49297515     11.35975501    -12.15801874
  H     13.45333667      6.78555996    -15.11263209
  O     15.68390639     11.39182694    -12.45801985
  H     18.40084492     10.47174346    -11.27530419
  H     14.33716349      3.94100010    -12.62594092
  O     17.85435328      9.09150524    -10.00987174
  H     13.75124880      8.19596015     -8.60560356
  H     15.14592477      3.31309114    -13.76826297
  O     13.76250436      7.63172700    -14.76380877
  H     14.80507917      7.14081202     -8.17043886
  H     15.26279982     10.45266511    -15.30572567
  O     14.24622271      3.53448602    -13.49815594
  H     16.46412936      8.50740289    -16.29052211
  H     14.09197509      9.57913162    -14.81126848
  O     14.46775261     10.46562046    -14.75917935
  H     15.37171958      7.64386867    -15.59431411
  H     18.51842470      8.35062936    -14.04233596
  O     17.96092812      7.57831996    -13.89399509
  H     17.74009771      6.08642546    -12.87499208
  H     17.39633234      7.48656292    -14.67577823
          69
 Ord_Energy   -248.642502    
 O   -4.81049871       6.32169390       9.51014423    
 H   -5.74748039       6.54809093       9.35865974    
 H   -4.61533451       6.54807043       10.4148169    
 O   -7.35242319       6.89138842       8.86863327    
 H   -7.31484318       7.25358963       7.97378635    
 H   -7.92090321       6.10918331       8.82893372    
 O   -3.74158645       1.53964698       4.67353392    
 H   -3.35856271       1.99219859       5.43505526    
 H   -4.66960907       1.37881982       4.88318920    
 O   -6.45533848       9.35647964       3.99179769    
 H   -6.72076416       10.2696562       3.91831923    
 H   -5.51793861       9.35858727       4.25921440    
 O   -3.89711595       9.21800137       4.85296345    
 H   -3.79369259       8.64496803       5.62228632    
 H   -3.14903617       9.05183983       4.26692581    
 O   -2.23184395       4.78513098       1.19950199    
 H   -2.81336284       4.11081600       1.59147727    
 H   -1.81623530       4.38138151      0.442140847    
 O   -8.09394646       5.12556791       2.19537377    
 H   -7.57632303       5.93544388       2.03645205    
 H   -8.92197990       5.23826027       1.73624861    
 O   -1.89571810       8.65451813       2.93474317    
 H   -1.21138060       9.24853802       2.63913417    
 H   -1.46614587       7.80207157       3.13047051    
 O   -3.85823560       7.08050442       1.63653123    
 H   -3.32236576       6.33589888       1.33339727    
 H   -3.24196005       7.73519278       1.98922229    
 O   -4.76014233       3.74456620       8.27597904    
 H   -5.59659100       3.61429644       7.81073427    
 H   -4.81429291       4.58838797       8.73888874    
 O   -6.60700607       1.24170029       4.90566301    
 H   -6.97605515      0.370328844       4.78531361    
 H   -6.73140669       1.71304417       4.06243992    
 O   -3.99145317       3.17059970       2.50093031    
 H   -4.28069878       3.95978212       2.98459530    
 H   -3.78815317       2.50779486       3.17820334    
 O   -6.76976156       2.58193779       2.53041530    
 H   -7.22586536       3.41112041       2.34606075    
 H   -5.83861732       2.73062348       2.32008028    
 O   -8.76406765       4.50083399       8.61658382    
 H   -8.23961544       3.98429561       7.98514795    
 H   -9.29465103       3.86952949       9.09582806    
 O   -2.62268662       2.99608731       6.86632442    
 H   -3.39130569       3.22927284       7.42002344    
 H   -1.98529148       2.57634354       7.43781233    
 O   -7.09187460       3.30444455       6.74757004    
 H   -6.96380854       2.49895120       6.23267794    
 H   -7.14497280       4.02201033       6.09803486    
 O   -4.60079098       5.48833418       3.86294770    
 H   -3.85723519       5.49280119       4.48087931    
 H   -4.42565346       6.14855146       3.18172097    
 O   -7.13741159       5.25545549       4.82082701    
 H   -7.66886377       5.18262148       4.02030182    
 H   -6.21713924       5.32188797       4.51814604    
 O   -6.63490629       7.40279293       1.90352261    
 H   -5.71088076       7.33812714       1.62903082    
 H   -6.65500689       8.07477665       2.59618950    
 O   -4.15096140       7.29754639       6.95726347    
 H   -4.21507740       7.04506063       7.88660192    
 H   -5.06600952       7.38347149       6.65263700    
 O   -2.49249148       5.50723171       5.63513374    
 H   -2.47477221       4.64812851       6.07624340    
 H   -2.99688005       6.12251425       6.18700552    
 O   -6.85034466       7.61451960       6.18713951    
 H   -7.06288528       6.78087616       5.74221754    
 H   -6.84264755       8.28988266       5.49943686    
 O  -0.953968108       6.17221737       3.40363407    
 H   -1.38432133       5.88682461       4.22264576    
 H   -1.28321826       5.60114431       2.69969487    
          69
 Energy    -248.64248688086084     
  O     19.41286934      9.39838697    -14.98921427
  H     19.58364345      8.45972627    -15.13916500
  H     19.63450820      5.59801786    -14.78311374
  O     21.19689216      7.17724292    -12.63726516
  H     18.56484690      9.58267338    -15.40941224
  H     19.97786710      4.03840215    -13.17216205
  O     15.96125317      8.45019203     -9.80620682
  H     20.84627148      8.03534435    -12.37408947
  H     18.65613007      3.61401189    -13.85665734
  O     13.20184225     10.89737040    -12.51968750
  H     20.79568535      6.98636114    -13.49471226
  H     15.99827087      9.77162781    -13.23199082
  O     16.82869100      9.56990717    -16.26302029
  H     15.54315880      7.66978190    -10.19668845
  H     15.76309529      9.77923398    -14.76762223
  O     11.69522083      8.46011067    -12.58335983
  H     15.24694745      9.09218883     -9.68363769
  H     17.43402103      7.81740887    -12.66540739
  O     18.38237242      5.54289795    -10.64118043
  H     13.93890124     10.57454739    -13.06371078
  H     17.85299431      6.41136055    -12.14696185
  O     14.40179269      6.44120570    -10.97959908
  H     13.02819240     11.79286141    -12.79952685
  H     14.51049520      6.59265377    -14.08706524
  O     20.88106142      4.71147692    -11.54952744
  H     16.91731555      8.61495798    -16.43532060
  H     14.47281226      8.11822073    -13.78086343
  O     16.05601617      4.13992444    -11.17422172
  H     16.72577233      9.99169805    -17.11236609
  H     17.42389673      7.85431034     -8.94758378
  O     16.82446624      3.07184776    -13.53819524
  H     12.03382259      9.36406783    -12.59777930
  H     18.26636264      7.53439193     -7.70172103
  O     19.51063019      6.55491976    -14.87216874
  H     12.35448817      7.93815934    -13.06269421
  H     13.52707739     10.36541917    -10.68102000
  O     19.54299512      3.95404124    -14.02890891
  H     18.43471502      6.16038719     -9.89815892
  H     13.05505734      9.23131021     -9.75438624
  O     15.31018581      9.78253817    -13.91560546
  H     19.26701734      5.20451858    -10.82488975
  H     20.57794172     10.55549756    -12.23593999
  O     17.57967817      6.90333051    -12.93366165
  H     14.30153651      6.70999261    -11.90367498
  H     19.82399114      9.75243541    -13.32430836
  O     14.00938265      7.28307813    -13.63272412
  H     13.58274882      6.69697943    -10.53705063
  H     16.43745257      6.01697419    -13.98572747
  O     18.24934355      7.43750248     -8.65049116
  H     21.69656938      4.35196204    -11.21128712
  H     16.07731433      4.58152593    -14.39912196
  O     13.68146331      9.96404898     -9.81735913
  H     21.08224260      5.60665182    -11.87761472
  H     18.11073311      6.70992225    -16.24399196
  O     19.99874722      9.80878297    -12.36663196
  H     15.39235718      4.83392401    -11.07685081
  H     16.63446282      6.35903566    -16.05689466
  O     15.87667277      5.50421987    -14.59157251
  H     16.88376932      4.53184587    -10.86065356
  H     11.20091738      7.33979980     -9.60530767
  O     17.23001628      6.91307043    -16.58032215
  H     16.55136619      2.16044587    -13.60036591
  H     11.78283968      7.89298827    -10.92895505
  O     12.01022127      7.62538231    -10.01989492
  H     16.51832478      3.39701618    -12.67168403
  H     18.18356245      9.68022950    -11.93927709
  O     17.23544011      9.51462582    -12.00904005
  H     18.83144657      6.77097050    -14.21092156
  H     16.88977843      9.22764691    -11.15203172
          69
 Energy    -248.64243605332706     
  O     12.44431698     11.06615875    -15.83063623
  H     11.89111034     10.60934406    -15.17369762
  H     17.56440160     10.57740216    -16.36715240
  O     15.70158242      7.96236519    -13.54705776
  H     12.66101403     11.94249753    -15.49405109
  H     14.04178323     10.40068236    -15.16016211
  O     16.33478814     11.45178456    -10.95313693
  H     15.38213737      8.77411095    -13.97468349
  H     15.58114325     10.58075886    -15.29086596
  O     16.36067163     13.33311190    -14.86747745
  H     16.33792855      8.23373098    -12.87342767
  H     11.35076049      9.79037762    -13.06786841
  O     13.42366028      7.16823409    -16.27823533
  H     15.49202599     11.58247442    -11.41258801
  H     11.23766393      8.64910091    -14.08846978
  O     12.31500022     10.45696823     -8.78491702
  H     16.98493211     11.95739957    -11.45593535
  H     15.28334151      6.67527844     -9.30497186
  O     13.53414837      7.40015179    -11.97300040
  H     16.54947220     12.68989763    -15.56660843
  H     14.60536855      7.37827202    -10.49974342
  O     14.04744466     11.65274790    -12.48482949
  H     15.40410413     13.43471869    -14.84141673
  H     11.22070682      6.09206282    -14.32231331
  O     16.31435825      7.51890069    -16.22172700
  H     13.12035226      7.84165755    -16.90003426
  H     12.41494921      6.89502005    -14.88568355
  O     18.69012415      9.11920397    -15.97261765
  H     14.38528729      7.15809699    -16.33717305
  H     17.42889257     12.95807092    -13.53622113
  O     18.82565350     10.00277655    -13.42347252
  H     11.98980620     10.84507077     -7.97780122
  H     18.66554306     13.40756815    -12.72635960
  O     16.81160919     11.15617007    -16.54035429
  H     13.28128565     10.40168822     -8.68977853
  H     16.93166336      9.75410216    -11.21834850
  O     14.88167017     10.26894623    -14.70291345
  H     12.85095789      7.07576823    -12.57228560
  H     16.75458169      8.28346884    -10.78207692
  O     11.11252583      9.59991175    -13.98552858
  H     14.30668884      7.55766501    -12.53895621
  H     15.15489249      9.23266835     -9.04400844
  O     15.29569072      7.47597522     -9.82410989
  H     13.37117251     11.09273042    -12.07861649
  H     15.54957283     10.68689199     -9.38255312
  O     11.81397494      6.81170430    -14.12339535
  H     14.42878736     11.15029681    -13.22225259
  H     14.50118780      9.44843431    -18.24094332
  O     18.03924538     12.69490102    -12.82496361
  H     16.11779632      7.49548268    -15.27356755
  H     15.70991005      8.73092596    -17.60629846
  O     17.23623924      8.85075464    -11.39500916
  H     17.18184821      7.94106444    -16.26610636
  H     12.14444741     10.05800483    -10.50298455
  O     15.03475158     10.14950320     -8.76769687
  H     19.57243151      8.98639337    -16.30915745
  H     12.68498943      9.01305423    -11.53361404
  O     15.46374525      9.46395002    -18.18617621
  H     18.78294147      9.38372615    -15.03958771
  H     13.58645413     12.90555837    -13.68027239
  O     12.23495944      9.86357793    -11.44699575
  H     18.62473953     10.93089206    -13.25153569
  H     13.00333257     14.22479399    -14.23568010
  O     13.43307475     13.41334531    -14.49571627
  H     18.44695351      9.50666845    -12.68719760
  H     11.92875429      9.46699389    -18.57013117
  O     12.63350365      9.35047040    -17.93845210
  H     16.31171423     10.72471027    -17.25075473
  H     12.51172550     10.02855783    -17.25196686
          69
 Energy    -248.64236898929249     
  O     12.35295296     11.35278397    -15.04288430
  H     12.58580301     10.60129565    -15.60668301
  H     14.94640543      5.78005863    -14.96464231
  O     15.48517338      6.56448901    -13.32185911
  H     11.79172359     11.00020551    -14.34331979
  H     18.45846004      6.93686886    -13.84629877
  O     16.97859975     10.37419159    -10.60809827
  H     16.42732815      6.55888872    -13.11811379
  H     18.48325470      7.96519487    -12.71131390
  O     17.89693882      9.78566257    -15.11767540
  H     15.33423396      7.42007436    -13.75723318
  H     16.95642718     10.97333898    -16.17195806
  O     12.03571367      6.68039473    -16.02744031
  H     17.00016755      9.40864675    -10.48820298
  H     15.72795711     11.90454774    -16.04860564
  O     14.67364906      9.73862418     -8.90179965
  H     16.31712018     10.59290630    -11.28152973
  H     16.11252210      9.24133886    -14.83788470
  O     13.47206306      7.12965893    -11.52501176
  H     18.24945014      9.95219200    -14.23416032
  H     14.58604646      9.07049375    -15.17352692
  O     15.13393317     10.98161070    -12.61201570
  H     18.28366868      8.95017888    -15.41040120
  H     11.58608008     10.13628774    -12.21866540
  O     16.60700591      7.10743733    -17.23634491
  H     11.29321705      6.21022452    -16.39655481
  H     10.09639126     10.47979566    -12.44938998
  O     14.70930048      7.00273257     -9.00937997
  H     11.80065098      6.90093059    -15.10757810
  H     17.49315076      7.16078663    -11.04846082
  O     18.78453082      7.17340848    -15.69970866
  H     13.99176946      9.92196846     -9.56171002
  H     16.41576670      7.21872938     -9.92424145
  O     14.69641407      5.65346931    -15.88914288
  H     15.48620802     10.11781931     -9.25596454
  H     12.07325813      7.20679150    -12.77663384
  O     18.22993119      7.05545367    -12.91475837
  H     13.78753321      6.94739159    -10.63151176
  H     11.17384280      8.32487448    -13.34992504
  O     16.25803164     11.40719933    -16.68211123
  H     14.18168943      6.85969107    -12.12688486
  H     18.30501492     10.13835678    -11.80252535
  O     15.24860294      9.00740789    -14.47424156
  H     15.15673812     10.22099727    -13.21398333
  H     19.79522042     10.09837017    -12.19574431
  O     10.88237464     10.16555510    -12.88946675
  H     15.03073897     11.75084062    -13.18368578
  H     15.37975042      9.71967495    -19.23673925
  O     17.19293648      7.66181368    -10.28344945
  H     16.18048036      7.85881904    -17.65968226
  H     15.66553660     10.20304017    -17.79434241
  O     11.46712229      7.41832280    -13.49840664
  H     15.90876827      6.56431634    -16.83914807
  H     13.72483091     10.34919686    -11.69920553
  O     18.92232763      9.85747581    -12.49701833
  H     14.58994290      6.58896926     -8.15886874
  H     13.19075693      8.92938570    -11.34169807
  O     15.32159846      9.45896697    -18.32155125
  H     14.69786670      7.96505150     -8.85848525
  H     14.44549277     13.70970384    -14.79936687
  O     13.02670205      9.87698606    -11.22157047
  H     18.00618696      7.08469775    -16.28183256
  H     13.77184394     12.31681779    -14.84744087
  O     14.62302704     12.77615141    -14.72125143
  H     19.52435972      6.80781123    -16.17651392
  H     13.86344295      9.18166872    -17.22470847
  O     13.27799666      9.14593190    -16.45739555
  H     13.76714777      5.90330401    -15.95080457
  H     12.83965806      8.28558107    -16.43759804
          69
 Energy    -248.64210034085932     
  O     -3.61265714      4.19450899      2.73263473
  H     -4.47257049      4.11535104      3.16179275
  H     -3.69494878      0.87275671      0.48435852
  O     -1.98708192      5.17506312     -0.49321380
  H     -3.76052307      3.97333512      1.80133728
  H     -5.89070354      3.39914283      0.46647290
  O     -0.01064652      1.49565339      2.33312767
  H     -1.24992361      4.60924462     -0.75595706
  H     -7.40747111      3.53973975      0.20425777
  O     -3.29093204     -2.49135250     -0.16376674
  H     -1.73772884      5.55252122      0.35919434
  H     -0.09398398      2.49097179     -0.82345746
  O     -0.67745702     -1.86216103      0.07361279
  H     -0.29052238      1.27644207      1.43439570
  H      0.80303633      3.36435391     -1.72716910
  O     -3.99085234      0.59397938      2.17240186
  H      0.39866572      2.37074079      2.27410951
  H     -6.55547652      3.48499590      2.59148671
  O     -6.90719481     -1.21665540      2.47415044
  H     -3.65150435     -2.54753159      0.73277142
  H     -6.98069350      4.19763578      3.89709539
  O     -2.25440649      1.99216292      3.85351177
  H     -3.94559953     -2.01609516     -0.68731832
  H     -3.50455769      4.27850397     -0.26610965
  O     -5.16906158     -0.82662648     -1.57152545
  H     -0.16058879     -2.58089125     -0.28049625
  H     -3.94529871      2.78385754     -0.22130014
  O     -4.21478252     -2.18288884      2.43826121
  H     -1.61362987     -2.10405396     -0.04840433
  H     -3.34487795     -0.57847041      5.31984759
  O     -2.44662713     -2.14686240      4.63608002
  H     -3.29849800      0.97075299      2.73078543
  H     -3.13546274      0.92927924      5.11064516
  O     -3.49721946      1.08946739     -0.44249762
  H     -4.80676962      0.66794621      2.68453983
  H     -2.20386323      5.31757418      2.52893943
  O     -6.77084132      3.16898090      0.81175848
  H     -6.11075027     -1.76204160      2.48740355
  H     -1.43495957      6.63581551      2.76508592
  O      0.20004399      3.40199168     -0.98862525
  H     -6.77554410     -0.55256980      3.16546178
  H      0.10606694      4.70234017      1.99466701
  O     -6.29144408      3.66291674      3.50944302
  H     -1.41298964      1.86212799      3.39465153
  H      0.70694241      3.93659117      0.80249124
  O     -4.20401122      3.68108486      0.03610394
  H     -2.64279598      2.81307806      3.52625133
  H     -5.28909044      0.66201959      4.71590329
  O     -3.73217822      0.28347021      5.51458841
  H     -5.61096473     -1.05665794     -2.38389047
  H     -6.13200817      1.82093622      4.08608979
  O     -1.42960588      5.83247263      2.25015960
  H     -5.85137032     -0.47163873     -0.97176972
  H     -0.25499498     -0.31473255      2.85263511
  O      0.78695334      4.06147186      1.75669033
  H     -3.69950100     -2.37118548      3.23137641
  H     -0.60525077     -1.52092630      1.96474070
  O     -6.01478754      0.86620592      4.10347637
  H     -4.08968953     -1.23456259      2.28087348
  H     -1.72438902      1.00799388     -0.42792781
  O     -0.58536809     -1.22118627      2.88121858
  H     -2.03440669     -2.78404506      5.21337464
  H     -0.60602018     -0.04791077     -0.28457151
  O     -0.76593185      0.90323291     -0.33146576
  H     -1.74788211     -1.81519662      4.04359730
  H     -7.00997937     -0.27752283      0.95272632
  O     -6.92635083      0.26732318      0.15423988
  H     -4.00757614      0.47636366     -0.98420912
  H     -6.89288412      1.18267270      0.44337931
          69
 Energy    -248.64196418748423     
  O     -1.04279456      1.90971559      4.15323917
  H     -1.13335261      1.44074406      4.97823010
  H     -3.35337883      4.34423641     -1.21515716
  O     -3.78136195      5.56911528      2.00414240
  H     -0.08903060      1.94805258      3.95755392
  H      3.68281499      4.88573905      3.72332875
  O     -2.06036843     -0.54332442     -0.01803610
  H     -3.12995620      5.21855191      2.63855298
  H      3.24431911      4.51864204      2.28359115
  O      0.39096003      1.88685252     -3.17476096
  H     -4.45073496      6.01470522      2.51638038
  H      0.11075836      4.03456163      1.33439471
  O      0.49823773      7.39358764      0.36692243
  H     -1.18744804     -0.39319368     -0.42801417
  H     -0.77716548      2.77949813      1.03466777
  O      1.58623342      2.03132640      3.51765225
  H     -2.17137243     -1.48627088      0.05981192
  H     -3.97964942      4.14208988      0.81045784
  O     -3.55277102      1.22013024     -1.70955425
  H      0.11686926      2.69537590     -2.71453612
  H     -3.27060281      2.78415166      0.71711735
  O      1.92919150      1.32634182      0.82552478
  H     -0.39936295      1.59893775     -3.65134466
  H     -1.65781733      3.73010452      3.92202820
  O      0.33360526     -0.00204378     -1.06702874
  H     -0.44376736      7.20986243      0.19678541
  H     -1.04673230      5.01312380      3.32455270
  O      3.61982138      4.49601870      0.61899850
  H      0.58473366      8.34196086      0.42013275
  H     -1.83927756      1.63623333      2.51091904
  O     -2.12736064      6.79925953      0.01036423
  H      2.08424993      2.85687922      3.52842956
  H     -2.08421990      0.84900985      1.16702533
  O     -3.05440055      4.92546904     -1.93483199
  H      1.76914137      1.63043770      2.65656633
  H      1.33336179      5.25412629      2.77542580
  O      2.95465073      4.53971025      3.21517615
  H     -3.82276717      1.92495980     -1.11211985
  H      0.55913840      6.19069696      1.78757125
  O     -0.03315173      3.30755389      0.71630157
  H     -3.11044648      0.56261838     -1.15675959
  H      1.10395816      5.09851109     -1.61848053
  O     -3.83187677      3.39479040      0.21631902
  H      2.75149526      1.53186880      0.36334447
  H      1.57668098      6.32274592     -0.84502641
  O     -1.87058781      4.63308890      3.66343433
  H      1.33554100      2.08560340      0.71645349
  H     -0.29938158      3.83610900     -0.91404084
  O     -2.13526533      1.71412826      1.59528521
  H      0.94795757      0.33167678     -0.40082859
  H     -1.28660998      4.42883307     -1.96695913
  O      0.45830594      5.48094399      2.43410555
  H      0.39896806      0.59233940     -1.82559674
  H     -2.67724817      1.27873166     -3.28054607
  O      1.90674328      5.57694483     -1.35991573
  H      3.96876898      3.68185075      0.23703319
  H     -2.62885031      0.72162079     -4.71070077
  O     -0.37680690      4.14411266     -1.83175140
  H      3.05305371      4.88723465     -0.05854192
  H      4.99776222      1.56295834     -0.92294722
  O     -2.15624420      1.28183777     -4.10028465
  H     -2.43276195      6.31545841     -0.76611917
  H      3.79155270      2.37478543     -1.45532440
  O      4.22270176      2.04298794     -0.64624728
  H     -2.66966657      6.47698124      0.74062135
  H      2.64540399      4.01675848     -2.48357294
  O      2.90021363      3.12144336     -2.73122124
  H     -3.59415237      4.72341621     -2.69523396
  H      2.09796148      2.66311390     -3.01781728
          69
 Energy    -248.64177218792523     
  O     14.60517714      8.92032024    -17.37368555
  H     15.42251067      8.42887786    -17.52341895
  H     15.18390449      2.36071987    -15.74728664
  O     13.58651772      3.00620595    -14.89031258
  H     14.25745909      9.10986326    -18.24420592
  H     19.68204243      4.87216591    -16.54411894
  O     18.04096912      7.17453029    -12.25115126
  H     12.76346258      2.52412276    -14.90503943
  H     20.96083364      4.37615520    -15.82675866
  O     18.77371801      5.07684829    -18.01334477
  H     13.50341843      3.72657473    -15.54227389
  H     16.74206137      6.69424780    -16.98282886
  O     16.74544563      3.18596254    -18.62518830
  H     18.83654475      7.17968379    -12.80142562
  H     17.53356885      8.00148841    -17.19882167
  O     14.06750320      7.94688333    -10.16118856
  H     17.34813333      7.55619048    -12.80850586
  H     15.32473014      5.43740325    -15.86785361
  O     14.33601248      4.77142519    -12.79414690
  H     18.13925707      4.39040471    -18.25820068
  H     16.71348894      4.97487345    -15.29952541
  O     16.20413315      8.04674413    -14.13094139
  H     18.29830550      5.91301415    -18.07213982
  H     13.05899104      7.65691547    -14.69804239
  O     17.77116709      3.64292416    -14.57717555
  H     16.81529324      2.45492707    -19.23369825
  H     13.43951555      8.11368171    -16.13579242
  O     13.81973612      5.08361967    -10.04367601
  H     16.46267978      2.81299933    -17.77132186
  H     15.43291051      4.63037810     -9.51873684
  O     18.16106455      9.06085266    -15.78127225
  H     13.79517057      8.62346649     -9.54721453
  H     16.46030905      3.91931887     -8.60383295
  O     16.02962334      2.23644003    -16.19199537
  H     15.02008617      7.80333518    -10.01662235
  H     13.99691426      5.22302546    -17.46028697
  O     20.10331051      4.76457353    -15.67271632
  H     14.08148575      4.11230611    -13.44987986
  H     13.25839815      5.94075590    -16.26921104
  O     17.01615012      7.33152080    -17.66540036
  H     15.28570085      4.67995392    -12.63670539
  H     19.45672844      7.86726205    -14.87125018
  O     16.20508085      5.73504764    -15.60468819
  H     16.21558922      7.21301124    -14.62744951
  H     20.01051873      6.42859262    -14.76544630
  O     12.86480918      7.52028707    -15.63304412
  H     15.34301919      8.07237656    -13.69573413
  H     17.44959316      5.47513313    -12.14593447
  O     16.38438264      4.48818313     -9.36464009
  H     18.64240515      3.96564539    -14.83917081
  H     16.93286873      4.40332146    -11.15275840
  O     13.64261294      5.10162339    -16.56903941
  H     17.62745212      3.86237918    -13.64588356
  H     16.70972995      6.40245991     -9.51814001
  O     19.89889695      7.25216666    -14.27497076
  H     13.83385740      4.87555900    -10.98828394
  H     17.27195946      7.38448685    -10.56400510
  O     17.07130789      4.58493978    -12.09015153
  H     13.73901993      6.04413285     -9.99233267
  H     15.62498754      4.66477560    -18.90327862
  O     16.69186530      7.32717056     -9.79271554
  H     17.43469683      8.84452009    -15.17099904
  H     15.71684097      6.19109332    -18.75210724
  O     15.09295364      5.47290902    -18.89796583
  H     18.26965710     10.00841545    -15.75008694
  H     13.92115721      6.55875137    -12.94065715
  O     13.77942963      7.51746397    -12.93223341
  H     16.70084106      2.57744014    -15.58293130
  H     13.77472146      7.77969876    -12.00382222
          69
 Energy    -248.64125943180960     
  O     14.73143873      9.24187028    -10.23497664
  H     14.52761202      9.96519402    -10.84465280
  H     16.27739657      4.35905426    -11.54758428
  O     12.64668260     10.93389572    -15.89151223
  H     15.50961814      9.46419274     -9.70970209
  H     12.41649978      7.13908182    -10.73119867
  O     16.75383025     11.14226796    -13.28508814
  H     11.83580144     10.84470854    -16.38650743
  H     13.49512035      7.90512574     -9.94115326
  O     13.33116457      4.86277278    -12.80600849
  H     12.68828102     10.17521649    -15.28673143
  H     18.39190251      8.49451121    -15.38613791
  O     17.38350063      6.58948553     -9.18375387
  H     15.85808224     10.99276265    -12.95333584
  H     19.82382812      8.06783295    -15.74594553
  O     16.15635884     13.26721807    -14.93065101
  H     17.36856061     10.92987473    -12.56812207
  H     13.09065926     12.38802849    -14.69594677
  O     15.99159041      7.59909724    -12.12094805
  H     13.97427237      4.71147644    -13.50856052
  H     14.32656776     13.23002459    -14.33282091
  O     14.12500246     10.80941180    -12.40747300
  H     13.84735521      4.91320442    -11.99251830
  H     13.72908170      8.33715578    -14.40344715
  O     18.75551601      7.77718616    -12.39184617
  H     16.56497620      6.14928700     -9.43982610
  H     12.42277783      8.26272225    -13.56595004
  O     18.36660591     10.28164229    -11.26406056
  H     18.07319475      6.18039018     -9.72001702
  H     15.60848240     12.08767389    -16.35666494
  O     15.52339672      4.73256787    -14.62915600
  H     16.79555403     13.97420592    -14.89892531
  H     14.39820831     11.18256631    -16.64544887
  O     16.95724613      4.12645838    -12.19379808
  H     16.47246401     12.57759662    -14.32210322
  H     12.18816458      6.17982952    -12.69618931
  O     12.96705396      7.09301573     -9.94186127
  H     15.60930467      8.22509872    -11.49276474
  H     10.72484464      6.65277761    -12.53365882
  O     19.12088138      7.91096792    -15.12031477
  H     16.95101398      7.71774805    -12.14400437
  H     14.30360103      5.91445751    -10.19312709
  O     13.46499229     12.94583428    -14.00189599
  H     13.83330213     11.64426184    -12.80124203
  H     15.45161408      6.15653396    -11.19575528
  O     12.97265238      8.85551779    -14.09409518
  H     13.71451475     10.10460555    -12.92590330
  H     18.41073020      4.83676660    -11.53993796
  O     15.32497295     11.32310107    -16.87484105
  H     18.95644749      7.75656883    -13.33857242
  H     19.83276641      4.69904900    -10.94450881
  O     11.62739883      6.96191217    -12.54461609
  H     19.03072551      6.93928815    -12.00098658
  H     15.50777115      7.49260733    -13.77205755
  O     15.07818210      5.49064288    -10.59356173
  H     18.02456761     10.06443624    -10.38950280
  H     15.85261064      8.12763489    -15.14410967
  O     19.13137211      5.32493421    -11.10250794
  H     18.66295721      9.44021947    -11.64061907
  H     17.38245107      9.52530342     -7.94579657
  O     15.29121027      7.46570813    -14.71987365
  H     15.64995088      4.33102649    -15.48519565
  H     17.28348164      8.34003750     -8.93245280
  O     17.17516920      9.30396223     -8.85004844
  H     15.47281573      5.69202201    -14.77575681
  H     16.94645213     10.03939481    -14.72544780
  O     16.92921528      9.53544710    -15.55229595
  H     16.56342970      4.28464299    -13.05997858
  H     16.42376137     10.07374376    -16.17725895
          69
 Ord_Energy   -248.640793    
 O   -3.36713767       8.60814825E-02   1.69189703    
 H   -2.98353481     -0.657760262       2.16927409    
 H   -3.12027597      0.871283412       2.20396686    
 O    4.26229572      -3.26596522      0.689892352    
 H    4.92791128      -3.91467237      0.477614403    
 H    4.70883036      -2.55496192       1.18411624    
 O   -2.32327700       2.13832784       3.19494176    
 H   -1.89477730       2.88436222       2.75969911    
 H   -1.63565719       1.67301369       3.68802285    
 O    5.21873140      -1.12796724       2.07726550    
 H    5.07491302     -0.320179850       1.56849802    
 H    4.59006596      -1.09695935       2.81129432    
 O    4.10301685       1.07353961      0.615208983    
 H    3.94927859       1.87089479       9.25444365E-02
 H    3.48162079       1.13779235       1.35102582    
 O    3.27330875      -1.15198028     -0.978593469    
 H    3.57758665      -1.94300258     -0.522323906    
 H    3.61679626     -0.401285082     -0.476430237    
 O   -1.07996774       4.20679951       1.66223276    
 H  -0.110419020       4.11918592       1.69173157    
 H   -1.27785408       5.12741756       1.81279242    
 O    3.18877292       3.41699004     -0.675258279    
 H    3.67829156       4.09575081      -1.13255131    
 H    2.46731377       3.14440441      -1.27023137    
 O    1.87045050      -3.18159389       2.16891217    
 H    1.17832696      -2.85977173       1.57440543    
 H    2.65106273      -3.36029649       1.62965775    
 O   -3.09387112      0.431185216     -0.929714501    
 H   -3.21948433      0.271128803       2.54247505E-02
 H   -3.95512104      0.628341734      -1.28906214    
 O    2.93691087      -1.15889883       3.75894022    
 H    2.49414229      -1.19230163       4.61509132    
 H    2.55625200      -1.87022233       3.22159028    
 O    1.11950552       2.61300421      -2.22280622    
 H   0.281274319       2.71995068      -1.75417364    
 H    1.16978073       1.67271161      -2.44534397    
 O    2.02549958       1.14850736       2.59285331    
 H    2.37786698      0.347754598       3.00853610    
 H    1.51718140      0.896877408       1.80202425    
 O    1.12939501     -0.172162086      -2.28365827    
 H   0.361436963     -0.752373219      -2.25377417    
 H    1.90463781     -0.657996893      -1.95651889    
 O  -0.232190505      0.494176149       4.23759556    
 H   0.169092223      -1.90557893E-02   4.95031500    
 H   0.500871181      0.831521630       3.70888543    
 O   -1.17594159       2.51855540     -0.571023583    
 H   -1.93497980       1.93357801     -0.678017378    
 H   -1.33731091       3.12677455      0.161761865    
 O   0.172926024      -3.36745715       4.46166420    
 H  -0.604747057      -2.95435858       4.06143427    
 H   0.781501234      -3.53139973       3.72995329    
 O    1.15159631      -1.32085657       5.94182253    
 H    1.18069410      -1.49924517       6.87754536    
 H   0.788503110      -2.11671233       5.51124763    
 O  -0.207900286      -2.03329897      0.694442511    
 H  -0.637232900      -2.15488052     -0.158767447    
 H    7.33608976E-02  -1.10536683      0.696639597    
 O   0.572111309      0.577591360      0.385325164    
 H   0.945799470      0.342164099     -0.474144518    
 H   -5.83684407E-02   1.28547728      0.202107072    
 O   -1.64336860      -1.71023035       3.06813216    
 H   -1.20973575     -0.930913508       3.44389129    
 H   -1.20107961      -1.89231634       2.22609377    
 O    1.60000908       3.78795528       1.69001961    
 H    2.14467525       3.76581526      0.893702745    
 H    1.81475532       2.98160744       2.17573452    
 O   -1.36841059      -1.58677161      -1.85652959    
 H   -1.85409188      -2.11407161      -2.48664975    
 H   -1.96525466     -0.877446115      -1.56864130    
          69
 Energy    -248.64076329558233     
  O     16.30556383     11.82711756    -10.34754880
  H     16.38839834     12.32860453    -11.16827679
  H     15.11616698      4.75325079    -14.69660835
  O     12.30244824      6.93872007    -11.30637529
  H     15.36178516     11.77419846    -10.15837779
  H     17.83101600      5.67811218    -13.62290423
  O     17.22164952      9.30629091    -15.30724374
  H     12.80797240      6.12582435    -11.15103561
  H     17.44307593      6.91382525    -12.74783383
  O     17.35067765      8.71611901    -12.62022733
  H     12.33851315      7.07827210    -12.25765025
  H     14.43099282     10.17504029    -12.65463567
  O     16.47874779     12.01646992    -15.21203213
  H     17.36880435      9.10787823    -14.37153563
  H     14.34864171      9.07632136    -11.55984149
  O     13.58179097      8.89226046     -9.91835958
  H     16.30238263      9.08227376    -15.51684673
  H     12.88030722     11.95254433     -9.39175529
  O     14.56634014      8.80732954    -16.04977288
  H     16.39782801      8.88932273    -12.55384150
  H     13.41078594     10.61160382     -9.95004060
  O     13.66775641     11.47465265    -15.57501154
  H     17.73848145      9.04561424    -11.80121811
  H     14.83172307      4.86756784    -10.72185517
  O     15.75707568      4.36660620    -16.40110179
  H     15.56796082     11.91659267    -15.51365673
  H     14.21039371      4.69041943    -12.11184893
  O     13.35901873      7.40294691    -14.01629194
  H     16.87804329     11.13982734    -15.28756298
  H     16.71883876      8.41976738     -9.43883959
  O     16.68032789      5.28522990    -10.23710732
  H     14.38159816      8.48516306     -9.55066533
  H     16.22940100      6.95352406     -9.49815177
  O     14.92199035      5.11236111    -13.82250142
  H     13.02448395      8.19607823    -10.29940277
  H     17.49963088      4.82482004    -15.69575039
  O     17.40723442      5.94878636    -12.79510236
  H     14.06822818      8.26512885    -15.41948714
  H     18.45370866      6.01403891    -15.88966693
  O     14.68842008      9.27063803    -12.44470024
  H     14.19104033      9.69372759    -16.00536328
  H     18.74300406      9.97559352     -9.56920182
  O     13.42533937     11.57761606    -10.07821319
  H     12.94426848     11.92689987    -16.00286057
  H     17.39912069     10.49288844    -10.13574998
  O     13.98941836      4.73866465    -11.17194837
  H     13.56450205     11.62662415    -14.62151258
  H     15.27779772      7.50214523    -17.20909508
  O     15.98397508      7.84051981     -9.20684967
  H     15.69397023      5.20860614    -16.88646512
  H     16.70952192      7.05809282    -17.57749298
  O     18.26287480      5.26954122    -15.30619204
  H     15.51673638      3.67654776    -17.01317479
  H     16.46313016     12.81910299    -13.67383068
  O     17.98482159      9.71591588    -10.08546369
  H     13.84344002      6.56595794    -13.96274272
  H     16.52970269     14.15725443    -12.90163862
  O     15.78292233      6.79128596    -17.62495097
  H     13.82046842      8.02781681    -13.43649359
  H     18.12337638      8.25260062    -16.40785824
  O     16.27036659     13.24323289    -12.81854613
  H     17.22318216      4.58712136     -9.87893370
  H     19.18070200      7.97839622    -17.50263711
  O     18.47329928      7.57249568    -17.00856512
  H     17.00635303      5.45749207    -11.13655740
  H     13.48060715     11.87762405    -11.92355037
  O     13.78278032     11.93668149    -12.83972119
  H     15.76427323      5.41957271    -13.45900517
  H     14.58788561     12.47352785    -12.82577194
          69
 Ord_Energy   -248.640762    
 O    1.71143484      -8.58675003       2.50382090    
 H    2.40642977      -8.63595676       3.16781521    
 H    2.10457325      -8.96066475       1.70137382    
 O    3.95982599      -9.03491974      -2.22707272    
 H    4.91227579      -8.88896847      -2.26832986    
 H    3.55139565      -8.23844147      -2.59133673    
 O   0.236131147      -6.44222832       1.75329065    
 H  -0.679713011      -6.67383718       1.88698375    
 H   0.760379016      -7.19854259       2.06957054    
 O    4.60088015      -6.18666077       3.15506172    
 H    4.29113770      -6.35974836       2.25113773    
 H    4.48223782      -7.01530457       3.63188076    
 O    3.28794098      -9.44109726      0.379734755    
 H    4.01715040      -9.88429832      0.828192592    
 H    3.47529626      -9.42722416     -0.571662128    
 O    1.81079626      -3.01692533     -0.236513689    
 H    1.39500105      -3.14608836      0.628452897    
 H    2.76012754      -2.93025279      -6.52277172E-02
 O    5.60773849      -3.31785250      -4.18059111    
 H    6.13936377      -2.79488134      -4.77439165    
 H    5.33688545      -2.72859836      -3.45377588    
 O    7.19934368      -6.21236897       1.86838949    
 H    6.44532442      -6.16937542       2.46831656    
 H    6.94204092      -5.68084908       1.10206509    
 O    3.85036612      -6.70137167      0.570426881    
 H    3.06221771      -6.31348753      0.169372365    
 H    3.76015663      -7.65828800      0.483760208    
 O    2.99152255      -6.45106459      -2.95694041    
 H    2.42660475      -6.28968620      -2.19002604    
 H    2.83330822      -5.71462965      -3.56660175    
 O    3.83094120      -3.56009102       3.14612436    
 H    4.12975597      -4.48074675       3.23415136    
 H    4.10535145      -3.10692000       3.94003701    
 O    5.42644405      -10.3076162       2.05501652    
 H    6.03152275      -9.73252106       1.54827881    
 H    5.81146145      -11.1795568       2.05543947    
 O    4.16165924      -8.83036709       4.06118393    
 H    4.62705231      -9.36539459       3.39790750    
 H    4.28017855      -9.27174473       4.89895105    
 O    4.63119888      -1.74338305      -2.19621682    
 H    3.69094300      -1.67857385      -2.40736127    
 H    4.68246174      -1.95607650      -1.25642967    
 O    4.49204493      -2.82144785      0.450495601    
 H    5.03831291      -3.57136655      0.168611094    
 H    4.33724976      -2.93980074       1.39494967    
 O    1.07275259      -3.74371028       2.28949571    
 H    1.95426631      -3.72242451       2.68210363    
 H   0.809833586      -4.67138195       2.24079275    
 O    6.96748924      -8.68741131      0.621234357    
 H    6.92466974      -8.51920128     -0.326117724    
 H    7.14999342      -7.84199476       1.05606103    
 O    2.82388258      -4.10768414      -4.39915419    
 H    3.74272704      -3.83097672      -4.49668884    
 H    2.39280581      -3.39854407      -3.90618539    
 O    5.86503315      -5.06892300     -0.315093130    
 H    5.20023870      -5.70366573      -2.90733995E-03
 H    5.94925117      -5.22962713      -1.26162302    
 O    1.55122447      -5.76263189     -0.645007610    
 H   0.983159661      -6.05121660       8.08768719E-02
 H    1.60459614      -4.79825687     -0.591873050    
 O    6.73913383      -8.26307964      -2.21412969    
 H    6.47509670      -7.38187456      -2.52655292    
 H    7.39416695      -8.58332062      -2.83026242    
 O    5.71335506      -5.83422184      -2.98540306    
 H    5.78780890      -5.00538635      -3.47439981    
 H    4.77077436      -6.05914259      -2.95186949    
 O    1.82853353      -1.97231102      -2.74786997    
 H    1.69323194      -2.32466602      -1.85139239    
 H    1.13936877      -1.33006608      -2.89696264    
          69
 Ord_Energy   -248.640045    
 O    5.62827444      -2.11051226       6.49530983    
 H    5.33747292      -1.67553306       7.30965090    
 H    5.09429550      -2.91190743       6.42112064    
 O    2.10449624       2.81576395       8.31836605    
 H    2.93896604       3.31308961       8.37074947    
 H    1.48495924       3.27652001       8.87963867    
 O    3.70327282      -4.15080881       6.36936426    
 H    3.65339017      -5.03563356       6.72138357    
 H    2.94447613      -3.66093063       6.73414516    
 O    7.80757141     -0.329216152       6.49474812    
 H    7.19728851      -1.06032407       6.33096313    
 H    8.06086540       7.65482113E-02   5.65554953    
 O    2.92098737      -3.26710129       3.73249006    
 H    3.20733476      -3.71318889       4.53958988    
 H    2.01851249      -2.97282028       3.90827703    
 O    4.44259787       4.23517799       8.47839546    
 H    5.11456966       3.80986667       9.02918625    
 H    4.92291451       4.61249542       7.73317814    
 O    4.61290932       2.96875000       5.07894373    
 H    4.92167330       2.38737941       5.79108620    
 H    3.64811254       3.01372981       5.13133812    
 O    1.89948559       2.89212346       5.44713020    
 H    1.82479656       1.95256341       5.22693777    
 H    1.85277867       2.93977332       6.40998793    
 O    5.74152231       1.47074425       7.12403631    
 H    5.99609327       2.01960039       7.87724686    
 H    6.51496077      0.945935428       6.87619543    
 O    2.06706834      0.108645983       5.18403530    
 H    2.91341567     -0.180715144       4.81610203    
 H    2.13653302       4.87604104E-02   6.14804173    
 O    8.35427666       1.31046975       4.29558706    
 H    7.47478437       1.28355134       3.87584305    
 H    8.99636745       1.25914025       3.59278226    
 O    5.86578035       1.21919632       3.31052184    
 H    5.37386370      0.404491633       3.48141432    
 H    5.37975740       1.91845596       3.76855898    
 O    9.17314529       2.97123528       8.79054546    
 H    9.89749813       3.54519701       9.02333260    
 H    8.96477509       3.14588475       7.85441589    
 O    8.42411804       3.43852472       6.24959898    
 H    7.63724375       3.99134803       6.16697788    
 H    8.38881397       2.77664590       5.54938698    
 O    6.63811541       8.03698599E-02   10.6755314    
 H    6.85614777     -0.249092147       11.5428314    
 H    7.44970560       2.33357009E-02   10.1373062    
 O    6.48765945       2.71217012       9.57911110    
 H    7.41987896       2.89650440       9.40168858    
 H    6.45763111       1.88827896       10.0807314    
 O    2.18177629      -1.15911802E-02   7.97380018    
 H    3.04542089     -0.277473867       8.32198811    
 H    2.09232163      0.930915594       8.16376305    
 O   0.469806343      -2.04639578       4.63338423    
 H   0.951848745      -1.20931029       4.75197697    
 H  -0.364400476      -1.82798111       4.22666883    
 O    4.78031349     -0.572646976       8.66938877    
 H    5.32896614     -0.483160824       9.45723534    
 H    5.01340342      0.177080154       8.09780788    
 O    4.43190193      -1.00308454       4.20014954    
 H    3.96220994      -1.77358425       3.84892535    
 H    4.89906216      -1.31092918       4.98760509    
 O    8.79208851      0.157236844       9.05312252    
 H    9.07458687       1.07790625       8.98741150    
 H    8.54769516     -0.107818611       8.15500355    
 O    6.02120543       5.00786018       6.13886166    
 H    5.92536497       5.83682013       5.67633343    
 H    5.49129772       4.35229731       5.65071869    
 O    1.54454041      -2.70367002       7.19592285    
 H    1.64139223      -1.83002865       7.59382486    
 H    1.03686929      -2.57030845       6.38475227    
          69
 Energy    -248.64003304761468     
  O     17.01568740      9.77139868    -10.47893089
  H     16.96049537     10.59125576     -9.97326061
  H     19.06096281      6.14520263    -13.44807226
  O     13.87350935      4.90830517     -8.48826578
  H     16.71291235      9.05741559     -9.89427411
  H     15.70521889      5.35605174    -10.93684600
  O     16.87071566     11.93716341     -8.74061524
  H     13.24264981      5.12992849     -9.18238483
  H     17.09738121      5.22290554    -10.24478239
  O     12.43483625      5.81941361    -10.80405481
  H     14.72519050      4.82510721     -8.93948912
  H     20.18032597      8.40663509    -14.11457012
  O     15.12840491      8.77203205    -12.28029759
  H     16.70296008     12.87129920     -8.82496314
  H     19.47878490      8.22161832    -12.74985969
  O     19.36312330      8.47115297    -11.00713274
  H     16.24932365     11.59788487     -8.06881027
  H     17.13465060      8.70540229     -5.59762137
  O     20.51732987      8.69437301     -8.46238402
  H     13.18015274      5.79046931    -11.42864234
  H     17.46034053      9.45313131     -4.28223150
  O     18.81873340      5.73927044    -10.39881752
  H     11.66020941      5.53972917    -11.28504341
  H     17.59260821      8.16113070    -14.26513343
  O     15.33874817     10.88199128     -6.81399256
  H     15.57217166      8.65995758    -13.13462012
  H     16.49359068      7.15992887    -14.64428105
  O     13.38858756      8.37590984    -10.03098578
  H     15.77624163      9.20552785    -11.70779847
  H     15.03524719      7.95196206     -9.21076163
  O     13.39760185      8.95479493     -7.24771905
  H     19.87578202      8.56127816    -10.19395126
  H     16.08414321      6.82636866     -9.39572500
  O     18.70728124      5.28339615    -13.19183267
  H     18.55506949      8.99174553    -10.88326431
  H     18.46799771     10.28133718     -6.54256648
  O     16.14427290      5.14831494    -10.10084794
  H     21.41542819      8.83836374     -8.17583745
  H     18.33753857     11.11107129     -7.83560503
  O     19.43001549      7.99428133    -13.69407870
  H     19.97710638      9.39637792     -8.05659739
  H     13.96638461      5.77804408     -6.98569179
  O     17.34131423      9.57772359     -5.21986685
  H     18.95174201      6.65602099    -10.67337925
  H     13.50580140      5.89739453     -5.51604075
  O     16.65291006      8.09621458    -14.47602994
  H     18.97688388      5.73754230     -9.44265637
  H     14.86529083      6.95970845    -12.29991554
  O     15.95925605      7.72042017     -9.05080135
  H     15.92372648     10.49773182     -6.15173776
  H     15.16373836      5.66376313    -13.11281653
  O     18.95099402     10.56632810     -7.32882088
  H     14.61539024     10.25168616     -6.94332040
  H     18.36058895      6.49934755     -7.18113246
  O     14.04490645      6.31929477     -6.17975628
  H     12.93053036      7.55257135    -10.24331937
  H     19.61585841      7.09624988     -7.85595249
  O     14.69969498      6.00601947    -12.33839656
  H     13.81756311      8.66783662    -10.84589781
  H     16.50740298      7.52857773     -7.37078080
  O     19.12900949      6.27371726     -7.71786584
  H     13.20974691      8.83342312     -8.18688101
  H     15.87038713      6.82467716     -6.17385922
  O     16.69275471      7.23806823     -6.46358269
  H     13.56248747      8.07796695     -6.88169785
  H     17.17776744      5.15556481    -14.00161177
  O     16.31656910      5.21897552    -14.45362724
  H     18.81318823      5.23182713    -12.23358576
  H     16.32290437      4.57022178    -15.15167869
          69
 Energy    -248.63992949220818     
  O     11.93568770     13.22460081    -13.02979617
  H     11.08116406     13.64506467    -13.06960285
  H     18.73575426     12.52044457    -16.50788082
  O     19.44610251      8.41932439    -11.79131822
  H     11.78592085     12.30749407    -12.73764306
  H     13.66539571      8.66989099    -14.13268074
  O     17.68104463     11.93460829    -11.81852060
  H     19.34959018      9.05848345    -12.51439670
  H     12.82277059      9.44291986    -15.15009965
  O     12.37986452      7.48275619    -11.90655594
  H     20.35567196      8.12853959    -11.80950868
  H     15.41937828     10.05274020    -13.25115649
  O     15.07409126      7.14083581    -11.17696706
  H     17.51229353     12.87939400    -11.74155957
  H     14.96431926     11.51870344    -13.57198753
  O     17.63916276      6.18136815    -11.93332041
  H     16.87940301     11.56729023    -12.22836622
  H     14.48331317     10.35720457    -16.63351307
  O     14.05246355     12.60506639    -14.75727341
  H     12.38168166      7.77099722    -12.82972288
  H     13.19516684     10.53512403    -17.47045737
  O     17.62773344      8.23139647    -15.18357482
  H     11.86737131      8.15542564    -11.45546009
  H     16.38746388      9.33202126     -9.34515282
  O     17.89956076      9.90431213     -9.92321508
  H     15.20600031      7.74157610    -10.43252239
  H     15.52554817      8.81600813     -8.16666622
  O     16.20219275     10.15073175    -16.64464339
  H     14.12321062      7.12544310    -11.35758993
  H     15.64774384     13.51891710    -14.79195758
  O     18.46092230      5.71873789    -14.49754798
  H     18.18711977      6.96210871    -11.78464901
  H     16.61331155     14.15225467    -13.77003847
  O     18.20398800     12.05647469    -15.86637513
  H     16.76015943      6.38530973    -11.59159844
  H     16.74558863     15.37588695    -11.48736176
  O     12.75632415      8.95143796    -14.32454984
  H     13.27425876     12.87985154    -14.25578013
  H     15.68550923     14.25934323    -11.61417506
  O     15.40965815     10.96149071    -12.92266906
  H     13.77160648     11.96855295    -15.42712980
  H     14.07131515     12.80525314    -10.74706947
  O     13.52645016     10.53789585    -16.57645059
  H     18.14719911      8.86675483    -14.67593374
  H     13.34576423     13.69322976    -11.76479451
  O     15.50075561      9.00966689     -9.09986599
  H     17.99893147      7.34855775    -15.04015036
  H     18.58603273     10.91752309    -13.02661000
  O     16.55316297     13.84109455    -14.68054046
  H     18.49129354      9.32431259    -10.41636858
  H     18.81185037     10.88080500    -14.53679422
  O     16.57839430     14.52969032    -11.89346265
  H     17.84255239     10.71476171    -10.44807304
  H     12.12581566     10.07392953    -12.95479792
  O     14.09185846     13.68144304    -11.15463886
  H     16.82330859     10.86847641    -16.47487326
  H     12.50789648     10.65769334    -11.56369995
  O     18.92025983     10.34960008    -13.73707812
  H     16.63087835      9.36351625    -16.28379813
  H     14.44788770     10.29826824     -9.96092061
  O     11.80704626     10.63131650    -12.23150622
  H     18.39761905      4.80231103    -14.75215700
  H     14.53140180     10.91144558    -11.38196598
  O     14.01876707     10.92121771    -10.55724341
  H     18.14926950      5.76593818    -13.57713363
  H     15.37197957      7.86051096    -12.82836416
  O     15.32848788      8.33530761    -13.66844744
  H     17.64956942     12.72627769    -15.42685991
  H     16.12761741      8.15776912    -14.17880413
          69
 Ord_Energy   -248.639725    
 O   -4.74097824       2.43483949       5.95715427    
 H   -4.01964617       2.65562868       6.55899429    
 H   -4.89932632       3.23465514       5.43591833    
 O   -3.52716827       6.65599298       1.03407156    
 H   -3.08925056       7.03269672       1.80774975    
 H   -3.17399216       5.75972128      0.930733919    
 O    2.35254860       3.32927084       2.22923255    
 H    3.23648167       3.03585458       2.43334794    
 H    1.74510407       2.73625851       2.70823359    
 O  -0.856634021      0.678523958       1.04613376    
 H  -0.347793132       1.35518241      0.565983057    
 H  -0.624786377     -0.158002526      0.647921324    
 O   0.791585982       2.53494358      -8.83028284E-02
 H    1.43852341       2.76820254      0.587608933    
 H   0.445859790       3.37533307     -0.418011934    
 O   -3.91458130      0.285376012       4.53942060    
 H   -4.36876059     -0.501249969       4.82968664    
 H   -4.31026220       1.03267407       5.02428865    
 O   -2.00669956       7.70295477       3.21249700    
 H   -1.36021161       8.19398212       2.69304657    
 H   -1.51812518       6.93349314       3.54532671    
 O   -1.79793489       5.59642601       6.51051092    
 H   -2.50583005       6.20162153       6.26215219    
 H   -1.18149769       5.60134411       5.76540852    
 O   -2.35186720       3.60709000       3.45958757    
 H   -3.18637109       3.94523978       3.81439710    
 H   -2.07969069       2.85234785       3.99354362    
 O   -2.33167195       3.08255386       7.37601709    
 H   -2.14116240       3.99681187       7.10086489    
 H   -2.12873435       3.02986336       8.30614567    
 O   -4.73209476       4.71950769       4.38079453    
 H   -5.19055319       4.83617830       3.53411436    
 H   -4.51243544       5.59473419       4.71816778    
 O  -0.385234743       5.03747034     -0.487945944    
 H  -0.672079563       5.91920996     -0.761108577    
 H   -1.16563249       4.61005354     -0.100072190    
 O  -0.511154056       5.53879166       4.01922464    
 H   0.129946515       5.59493542       3.30087709    
 H   -1.11115623       4.80858374       3.80130959    
 O   0.219340622       8.41842651       1.59556413    
 H   0.635750473       7.54375267       1.66970670    
 H   0.928705037       9.05661392       1.58832645    
 O   -1.48596418       1.53706586       5.17924452    
 H   -1.68545389       2.01453590       5.99530935    
 H   -2.23472261      0.951947510       5.00228357    
 O   -3.79614353       7.26521540       5.26289606    
 H   -3.22399354       7.55780220       4.53439856    
 H   -4.30890512       8.02410698       5.53042841    
 O   -1.41147125       7.60624170     -0.673113465    
 H  -0.870296299       8.03861237      -2.25179992E-03
 H   -2.24984097       7.40404177     -0.237098053    
 O   -5.01817513       2.69640493      0.393271953    
 H   -5.46910191       2.29381275     -0.343906850    
 H   -4.59646654       1.97396004      0.893676639    
 O   -2.58514142       4.02521944      0.756695211    
 H   -2.44764280       3.78715348       1.68534362    
 H   -3.38642931       3.57060838      0.470971495    
 O   0.601601005       1.58761406       3.32926559    
 H    6.90048980E-03   1.55142057       4.08853722    
 H   0.103494890       1.20721865       2.59474468    
 O   -5.74418020       5.05928469       1.87383616    
 H   -5.61360598       4.25704432       1.35296392    
 H   -5.14584208       5.72314835       1.50636268    
 O   -3.63191986      0.813192666       1.73842025    
 H   -3.72263765      0.621679902       2.67893958    
 H   -2.68885517      0.793434024       1.53165865    
 O    1.10139918       5.77517986       1.73811793    
 H    1.66711342       5.01818705       1.93851638    
 H   0.587935269       5.52449226      0.954821467    
          69
 Energy    -248.63952245845553     
  O     13.77992806      8.55816636    -11.02171136
  H     13.83341061      9.43211714    -11.43073005
  H     14.79867831      4.50704000    -16.27819038
  O     13.39005542     11.17984698    -16.21910938
  H     13.06974805      8.08646176    -11.47838321
  H     18.10248196      2.85392944    -11.52567932
  O     16.79708070     10.69612498    -13.13975577
  H     13.10113242     10.37422370    -15.77080169
  H     17.72980026      4.04394542    -12.44168974
  O     13.28988989      4.95404213    -13.05577347
  H     13.32909955     11.88665851    -15.56476403
  H     18.33714856      7.72573471    -15.38983285
  O     17.66980382      8.02330710     -8.82363627
  H     17.23158591     10.54028422    -12.29447228
  H     18.92534621      7.26126382    -14.06364970
  O     16.31574755     12.92447683    -14.80363287
  H     15.84396014     10.65303853    -12.97514654
  H     14.63869752     13.18005716    -14.35452433
  O     15.89715567      7.27346627    -12.36736340
  H     13.90868065      4.80567978    -12.32567944
  H     13.39871852     14.03526844    -13.99371619
  O     14.02673365     10.70533092    -12.76126422
  H     13.78055336      4.77400528    -13.86551644
  H     13.72573987      8.37909609    -14.84780049
  O     18.62928957      7.82475307    -12.32511435
  H     17.92423489      7.98651402     -7.90466771
  H     12.42670087      8.35006324    -14.00970123
  O     18.12375480     10.08383251    -10.67700470
  H     18.09672433      7.26348689     -9.26142778
  H     15.95046713     11.54592628    -18.08219213
  O     17.51047206      4.62858313    -14.05028193
  H     16.31635329     12.50013161    -15.67093151
  H     15.01069334     11.23677699    -16.89229197
  O     14.95559028      4.77787050    -15.37708252
  H     16.64371816     12.25531621    -14.18722925
  H     12.35244072      6.36900868    -12.79933094
  O     17.77681868      3.74960563    -11.51272460
  H     15.25182386      7.81332215    -11.89440082
  H     10.98366764      6.95957919    -12.38518770
  O     18.75145030      6.96461269    -14.96856243
  H     15.77339644      6.37413199    -12.03582790
  H     14.51887835      7.48510067     -9.64543707
  O     13.69355026     13.13808589    -14.12093115
  H     13.82391873     11.59636756    -13.07087356
  H     15.89935766      7.26580655     -9.00596603
  O     12.94908118      8.90431336    -14.60213648
  H     13.65182602     10.09676224    -13.41551626
  H     15.18644193      5.42484921    -10.29972219
  O     15.94440963     11.32572530    -17.15460967
  H     18.68642386      8.67280328    -11.87380681
  H     16.07505199      4.38839559    -11.08656746
  O     11.87383025      7.20076691    -12.62671282
  H     17.68068972      7.62504139    -12.38558586
  H     18.53663302      5.18011676    -10.54446545
  O     15.04881183      6.83884628     -9.15918673
  H     18.70416425     10.70669465    -10.24474808
  H     18.95083419      6.58531118    -11.00402515
  O     15.23577397      4.86386055    -11.08863240
  H     17.89124879      9.41730338    -10.01102857
  H     15.47790321      7.34399840    -14.09259597
  O     18.84540198      6.03239818    -10.21614208
  H     16.66862931      4.55426107    -14.51175781
  H     15.92040750      8.07501728    -15.37925543
  O     15.25506855      7.46886759    -15.02865214
  H     17.97199415      5.38337284    -14.44300403
  H     17.16253827      9.75489005    -14.72959581
  O     17.19344403      9.33285949    -15.60012116
  H     15.04870690      5.74632052    -15.38722720
  H     16.86005615      9.98355247    -16.23024625
          69
 Energy    -248.63903871310538     
  O     17.52567929      8.78362598    -12.72862188
  H     16.75120059      9.36244965    -12.63793936
  H     16.35562553      7.95705236     -7.60796263
  O     11.96925155     11.68178154    -10.66195960
  H     18.08271764      8.93903350    -11.95341708
  H     13.39620306     10.67082379    -10.09750949
  O     18.91038618     10.24062060    -14.56615033
  H     12.30916267     12.22451216    -11.39794951
  H     13.98930054      9.21737945    -10.10454627
  O     11.15114053      9.78790002    -12.64830296
  H     11.39206343     12.24224522    -10.15061109
  H     19.13299693      8.04037315     -9.55499453
  O     15.97180837      6.55332141    -12.15269051
  H     19.33279158      9.71745686    -15.24324000
  H     18.37768153      7.71134221     -8.26217777
  O     19.03846630      9.59517824    -10.56062205
  H     18.41252853      9.62225730    -14.00287740
  H     16.01828581     12.76650188    -13.91452862
  O     16.84477959     10.64174638     -9.21028927
  H     11.34088457     10.39271853    -11.92155966
  H     16.33797376     13.13467763    -12.41099687
  O     11.76725595      7.17499011    -12.43999972
  H     11.41134253     10.24838420    -13.45580004
  H     17.96732672      6.00742223     -9.66501101
  O     14.03114552      7.00459207    -14.22636774
  H     16.44435315      6.03050408    -11.49279419
  H     17.74324942      4.48982959     -9.86547292
  O     14.46140564      9.64020286    -14.94003822
  H     16.56924594      7.26701227    -12.41657719
  H     14.88306727     10.28602710    -11.61992799
  O     12.18866716     11.16471114    -14.91359281
  H     19.48597292     10.29697223    -11.04668245
  H     15.45236267     11.33064226    -12.62332710
  O     16.99707313      8.60033664     -7.25560522
  H     18.28495490      9.99744123    -10.10006874
  H     19.59097401     11.23974735    -13.16657004
  O     14.20150067     10.15281222     -9.96959336
  H     15.91706968     10.54305174     -9.46778120
  H     20.64218227     12.17555962    -12.52978154
  O     18.90034381      7.30907882     -8.96731694
  H     16.95301979     10.06539490     -8.44237945
  H     15.84234886     10.96163486    -15.40084554
  O     15.64170443     13.09087901    -13.08317607
  H     11.50439983      8.10901841    -12.52850279
  H     17.34007592     11.23607452    -15.16420029
  O     17.33855856      5.34271612     -9.99931339
  H     10.96670709      6.65880551    -12.47588648
  H     14.59102550      7.20242854    -11.13484102
  O     15.34110072     10.38449372    -12.46216756
  H     13.21866195      7.00286290    -13.70531085
  H     13.05228034      7.32845727    -11.11987790
  O     19.87353308     11.64526845    -12.33230684
  H     14.72186233      6.70330511    -13.62306503
  H     18.34666467     12.46063266    -11.46824533
  O     16.49398403     11.67014634    -15.31978042
  H     14.71679240      9.90398107    -14.04193377
  H     17.29428407     12.18618581    -10.37141711
  O     13.84270976      7.48658060    -10.58966811
  H     14.31526925      8.68549747    -14.88422899
  H     12.63404255     12.49147597    -13.60113529
  O     17.52050003     12.78571336    -11.09223728
  H     11.86385025     11.34659960    -15.79154180
  H     13.83327511     13.17504956    -12.90498441
  O     12.88563569     12.99809103    -12.81971540
  H     12.98477459     10.61636113    -15.01711562
  H     15.98946712      6.11470230     -8.85096885
  O     15.39408051      6.70909596     -8.37791832
  H     16.89611500      8.59638834     -6.30749683
  H     14.71374892      6.95266921     -9.01887633
          69
 Energy    -248.63896144254022     
  O     18.25553456      9.31596252     -7.63914890
  H     18.45783065      8.55462489     -7.08061850
  H     15.72501378      8.03240001     -9.16369802
  O     19.31641269      5.31928416    -10.10678569
  H     19.04095174      9.46990703     -8.17224397
  H     19.90540987     10.19999051    -10.24260614
  O     19.47253489      5.22830961    -13.92300647
  H     18.88741479      4.70488682    -10.71974243
  H     21.07222864      9.20675095    -10.45739574
  O     18.23111715      7.73714162    -13.57772159
  H     18.96175323      6.19451751    -10.33876213
  H     14.77436523      8.52340473    -13.94226236
  O     22.12742135      8.56393147    -11.79639733
  H     18.89768927      4.66771387    -13.38712759
  H     15.70229360      9.01341295    -12.80506027
  O     17.75774042      4.01555151    -11.95526704
  H     19.02092710      6.08192435    -13.97774976
  H     20.86917035      5.64217872    -11.31652773
  O     20.08905351      9.82226497    -13.38969499
  H     18.30669540      7.69425624    -12.61226941
  H     20.83541708      5.72959921    -12.83842035
  O     20.82737652      6.96445194     -8.30700630
  H     17.29703088      7.90212404    -13.74819334
  H     14.76007171      2.82935010    -11.37648325
  O     15.99625045      2.81057953     -8.36183446
  H     21.89087517      7.62602470    -11.91811122
  H     14.50230482      4.30167774    -11.74680804
  O     18.34989865      7.76472197    -10.78267564
  H     23.07006091      8.62775499    -11.92378103
  H     14.58132584      5.64536878     -8.92272416
  O     19.02655382      6.91287648     -6.27164031
  H     17.04573569      4.67131446    -11.99278067
  H     16.08708074      5.88953204     -8.64629628
  O     16.16396250      8.86575651     -9.37852584
  H     17.35298343      3.18616456    -11.67401909
  H     15.51955002      6.62902783    -12.37403049
  O     20.37216040      9.45579730     -9.83408773
  H     20.86262905      9.39148631    -13.00726785
  H     15.51976844      6.05459122    -10.92340391
  O     15.46844384      8.24201787    -13.35231971
  H     19.47418376      9.11491480    -13.63002730
  H     19.34807687     10.83986025    -12.19961689
  O     21.34802192      6.00966187    -12.06488312
  H     20.80593769      7.80510936     -8.77732432
  H     19.05918044     12.22416583    -11.56425427
  O     14.06761720      3.50032342    -11.42406076
  H     20.47447896      6.30229692     -8.91544998
  H     17.96829651      5.68135317     -7.23051262
  O     15.30700082      6.26108975     -9.08245012
  H     15.10907795      3.19119573     -8.36819005
  H     18.20451310      5.09775345     -8.64391463
  O     15.61567304      5.82088163    -11.85701090
  H     16.58718019      3.51940660     -8.07723412
  H     13.58207368      3.87937848     -9.78319199
  O     18.95831512     11.28581307    -11.42481174
  H     19.06233456      8.35449580    -10.50649044
  H     12.58105557      3.97640128     -8.60478626
  O     17.57162915      5.12751468     -7.91354108
  H     17.54268209      8.10449451    -10.37655843
  H     16.05830344      9.89981615    -10.85102458
  O     13.48891778      4.13478490     -8.84736522
  H     19.76390220      6.90819417     -6.90821035
  H     17.10423338     10.66539151    -11.67690300
  O     16.22269975     10.28146475    -11.72695440
  H     19.40970984      6.83519210     -5.40165428
  H     16.46435473      0.88995145    -10.87356270
  O     16.34466959      1.83571435    -10.88088954
  H     16.79006372      9.07558304     -8.66974276
  H     16.27049974      2.11880947     -9.95194763
          69
 Energy    -248.63874086598526     
  O     12.93243329     12.89464400    -14.93955453
  H     12.91652862     12.24039702    -15.64888014
  H     18.38427270     11.92851945    -14.76726114
  O     18.04933119      7.22062495    -13.87920949
  H     13.63849892     13.50613636    -15.18049255
  H     17.13694647      9.42499198    -18.08820931
  O     18.65920815     11.59408785    -11.18215827
  H     17.29591179      6.61966877    -13.91482947
  H     15.76637109      9.39555448    -18.78285349
  O     16.40241385     14.28564531    -13.33339218
  H     18.11435643      7.63302573    -14.74910474
  H     16.61180309     10.15459345    -12.78267290
  O     15.62236184      5.67094435    -13.91890476
  H     18.55698698     10.66742804    -11.44568338
  H     15.70310619     11.42318629    -12.67594684
  O     15.42680141      9.03130746    -10.38303169
  H     18.00267955     11.71909299    -10.48919931
  H     14.42565906     11.36957045    -17.00755246
  O     14.32235915      6.85775962    -11.81373253
  H     17.31134432     13.96991466    -13.41199449
  H     13.57152407     10.17037202    -17.47194142
  O     12.40934517     12.33032913    -12.32895052
  H     16.05127537     14.35805667    -14.22868915
  H     17.03386269      8.85065488    -11.32974343
  O     14.08483998      8.52087530    -18.31013909
  H     15.60166544      4.72621164    -13.78925910
  H     17.92445284      8.37139435    -12.54286480
  O     17.70329187      8.70554143    -16.33671942
  H     15.14470318      6.06492923    -13.16860979
  H     13.28713871      9.42147865    -12.88337203
  O     15.12085410      7.50853018    -15.97496962
  H     14.63869208      9.28317940    -10.88711495
  H     12.71634604     10.42474501    -11.89223844
  O     17.77241020     11.33648335    -15.21837976
  H     15.72004230      9.82665465     -9.92178826
  H     14.12495368     12.70312331    -11.76534855
  O     16.59626389      9.88536865    -18.74327296
  H     13.57713540      7.45474658    -11.93576540
  H     15.48844258     13.40383832    -12.13163640
  O     16.00066851     10.72472482    -13.27025367
  H     14.86917512      7.31863271    -11.16462517
  H     19.86372728     13.54793685    -13.35259282
  O     13.56747967     10.93741571    -16.88678755
  H     12.55847706     12.50802119    -13.27504359
  H     18.92205084     12.58710513    -12.59295840
  O     17.77110126      9.08640271    -11.90810114
  H     11.60742608     12.78906469    -12.09167750
  H     15.83654309     12.07187934    -10.14174026
  O     13.06386144      9.52797987    -11.94582436
  H     14.43590314      8.04325493    -17.53913185
  H     16.18067167     12.06212901     -8.63305610
  O     15.06354980     12.75451317    -11.54819356
  H     13.61439289      7.88162252    -18.83901191
  H     16.28358734     11.48307255    -17.93622668
  O     19.01863299     13.11015731    -13.40941813
  H     17.77746706      9.58301234    -15.93628593
  H     16.72729571     11.92424538    -16.53011208
  O     16.31763490     11.58613578     -9.44820141
  H     16.80399516      8.38060268    -16.18867156
  H     15.14575640     15.13455479    -16.48701730
  O     16.10019643     12.12994901    -17.23995030
  H     14.67474684      8.16903311    -15.42126784
  H     15.53063648     13.63944218    -16.48032994
  O     15.19506575     14.36375161    -15.92632372
  H     15.28297400      6.75090659    -15.40127583
  H     14.70556520      9.94236679    -14.10084004
  O     13.96270350      9.49865432    -14.54249641
  H     17.08837615     11.13960366    -14.55891545
  H     13.72195047     10.04029873    -15.30449751
          69
 Energy    -248.63871953610760     
  O     10.65715263     12.93270028    -10.56627551
  H     10.28082833     12.44377615    -11.31004858
  H     12.70653013     12.75973729    -12.78958332
  O     11.58536361      6.84860017    -15.38859606
  H     11.40317990     13.43771892    -10.91114941
  H     16.85838650      9.82079907    -10.63560281
  O     10.68426356      8.86149117     -9.01247974
  H     10.73474523      7.09255483    -14.98152694
  H     16.07131970      8.77426758    -11.50089638
  O     13.09657337      8.01609682    -13.30950869
  H     11.47024196      5.98729805    -15.77981430
  H     14.56616914      7.35705049    -10.63210709
  O     13.68633566     11.84283634     -8.45397010
  H     10.73492025      9.78982082     -8.73461724
  H     14.42331476      7.42203873    -12.15497405
  O     11.86949800      9.57197464    -16.24537315
  H      9.96226192      8.46874623     -8.52714389
  H     12.83401274     15.21638251    -12.07315499
  O     10.76347942      8.73231733    -11.87012016
  H     12.66856410      7.49499158    -14.00026806
  H     13.83155030     14.06660130    -11.80954288
  O     15.14897127      9.57841055     -7.61900293
  H     13.50579276      8.77315165    -13.75143130
  H     12.48967874      8.23974693     -9.09595264
  O     13.79196775     10.52705250    -10.88854630
  H     13.73412152     11.44504847     -9.33860993
  H     13.52348553      8.98692692     -9.94582088
  O     15.44248419     13.49238893    -11.92545299
  H     12.75197587     11.83869798     -8.22639919
  H     16.57875593     10.72406660    -12.87269245
  O     10.82229093     11.55275394     -8.26994944
  H     12.70672592      9.86182494    -15.86089981
  H     17.41180636     11.43259996    -13.96551259
  O     12.58651122     11.85202829    -13.09497640
  H     11.83878627      8.61571648    -16.11616496
  H     10.16034031     10.35681144    -12.36123555
  O     16.41885043      9.67954414    -11.48352091
  H     11.63686604      8.50350910    -12.21803299
  H      9.63932252     11.08228172    -13.62648050
  O     15.07556372      7.29865008    -11.45082306
  H     10.79285934      8.69269312    -10.90834220
  H     15.35995762     12.64052803     -8.91636985
  O     12.88366729     14.29699151    -11.82544096
  H     14.61026004      8.92897882     -8.08942131
  H     16.73343254     12.00398034     -9.19339978
  O     13.41269234      8.21415742     -9.36841691
  H     14.65453708     10.40601679     -7.69381628
  H     15.00639224     10.57315474    -14.48567084
  O     16.52752640     11.34946946    -13.61708615
  H     14.70752125     10.34467423    -11.13927796
  H     13.53788010     10.89178632    -14.17094421
  O      9.92730445     11.22857235    -12.71626394
  H     13.36791610     10.96773123    -11.63291725
  H      8.94704137     10.79573019    -16.10320693
  O     16.20261547     12.78984931     -9.36532545
  H     15.79113102     13.27756333    -11.04664326
  H     10.32240047     10.20720423    -15.71308849
  O     14.10780804     10.27099889    -14.65488712
  H     15.81047823     12.85112224    -12.54065088
  H     18.21117000      9.98587805     -8.43296662
  O      9.44437553     10.44905600    -15.36734180
  H     10.32699336     12.02143878     -7.60302491
  H     16.66523116      9.92422883     -8.39857545
  O     17.42992955     10.20660603     -8.93231244
  H     10.74136556     12.07075148     -9.09252245
  H      9.21608879      8.68411535    -14.58535531
  O      9.37023939      7.83384948    -14.15518267
  H     11.64441475     11.65013114    -13.02849290
  H      9.72339971      8.04591202    -13.27994072
          69
 Energy    -248.63840071380898     
  O     11.84062070      7.12933576    -15.06925821
  H     12.76986328      7.36065903    -15.20359619
  H     12.89274658      6.49746045    -10.00232099
  O     10.22906156      7.30895929    -10.89734383
  H     11.48100080      7.78377304    -14.46011167
  H     13.09775109      3.88991982    -13.78958693
  O     17.02438814      6.47379160    -11.60047780
  H     10.46966319      7.97283446    -11.55532575
  H     13.80220715      3.14131837    -12.60876278
  O     13.44981508      2.34347097    -11.06718843
  H     10.90424780      7.33144639    -10.20807831
  H     13.63863658      5.16475413    -12.14499729
  O     14.85699178      8.07413560     -8.42387823
  H     16.62595907      7.32832701    -11.38168423
  H     12.23478477      5.52702517    -11.65795166
  O     16.88946698      9.28203201    -15.48164591
  H     17.92426407      6.66189531    -11.89608800
  H     10.97231789      9.97970126    -13.09756888
  O     15.93586304      5.52922398    -13.99682454
  H     12.53757536      2.35666335    -10.75384709
  H     12.08023322      8.95174884    -12.76606967
  O     10.80209930      2.76345227    -10.05124316
  H     13.98266860      2.60318031    -10.30471350
  H     19.09012731      7.06141165    -13.69889362
  O     17.74505508      9.64874937    -12.92489935
  H     14.80903771      8.44189691     -7.54511238
  H     20.34673140      7.10671035    -12.79428149
  O     14.77646853      3.22898272     -8.71013562
  H     13.97961669      7.70227811     -8.61986176
  H     13.52556683      7.48606362    -12.20409633
  O     12.20860562      4.32160859     -8.10042828
  H     17.14508707     10.02376242    -16.02322944
  H     14.08703271      8.26549035    -13.41890057
  O     12.54086955      6.82500553     -9.16136742
  H     17.17121561      9.48743800    -14.57203316
  H     15.74131227      6.38304634     -8.79267008
  O     13.94634513      3.74707233    -13.35354534
  H     16.26945695      5.79476211    -13.12771472
  H     16.48418737      5.74829997     -9.98563985
  O     13.14900322      5.84018211    -11.66315969
  H     15.33168384      4.78704041    -13.86049703
  H     15.08696418      8.86556822    -11.46181987
  O     11.13655635      9.04701413    -12.98079290
  H     10.62134603      3.47064483    -10.69520306
  H     15.60207552      8.77970259    -10.00338725
  O     19.41643542      7.31194315    -12.81556082
  H     10.00799653      2.23953371     -9.98841647
  H     17.80854441      7.56321152    -15.45357465
  O     13.74126232      8.37689710    -12.52196382
  H     18.41961020      8.96886330    -12.80260690
  H     17.46061323      6.16333438    -14.91161532
  O     16.09104602      5.54952020     -9.12573449
  H     17.14566676      9.56907194    -12.17164906
  H     15.31574011      8.31774717    -15.32074839
  O     15.88149355      8.94482398    -10.91197486
  H     15.27060241      4.05326600     -8.86512751
  H     15.03829509      6.90537316    -14.74163134
  O     18.20153231      6.72706383    -15.17479262
  H     15.32528990      2.68401577     -8.15220924
  H     11.55641481      5.45436399    -14.74018714
  O     14.60933571      7.71925016    -15.04822525
  H     11.63539877      3.78089693     -8.65758339
  H     10.99314963      4.10639448    -15.24700083
  O     11.40367236      4.52430368    -14.49439506
  H     13.08972596      3.93833006     -8.20161837
  H     10.65435997      4.72777305    -12.79322798
  O     10.50142332      4.77539935    -11.84146611
  H     12.33952010      6.02611449     -8.64989411
  H     10.22670956      5.67092272    -11.58937103
          69
 Energy    -248.63828805198335     
  O     11.18004260      9.78688739    -11.72528753
  H     11.65164855     10.21534696    -12.45718726
  H     15.85971441      4.64196184    -17.42509412
  O     14.29861798      6.73505781    -14.98224243
  H     10.47222527     10.37571550    -11.47426880
  H     18.15107032      6.46557113    -14.98892999
  O     16.80169655     11.75284269    -11.02542715
  H     14.72872575      6.21176998    -15.66807230
  H     18.24829996      7.23555306    -16.33146876
  O     18.19370152      8.93307311    -17.19050645
  H     14.91682950      7.43435590    -14.71965266
  H     14.15539827     11.23497637    -16.36129477
  O     12.13140280      8.39179385    -15.29955910
  H     16.45076879     12.52312217    -10.58660052
  H     14.28198745     12.77302569    -16.22216383
  O     15.93861080      7.63410072     -9.63449433
  H     16.04156649     11.24949763    -11.36531000
  H     15.60906269      9.16676091    -13.26222846
  O     13.57196337      6.20163503    -12.36617986
  H     17.82640841      9.64526771    -16.63994470
  H     16.32560999      9.34720058    -14.62338183
  O     14.77787905     10.22184094    -12.02126488
  H     18.88291259      9.32537005    -17.72086442
  H     19.11185412      8.97269864    -11.26785433
  O     15.57013565      8.14349944    -18.07492453
  H     12.89397255      7.79406208    -15.31373333
  H     20.55470225      8.76414177    -11.79075889
  O     16.20143296      5.46847418    -11.51058870
  H     11.51446522      7.98939758    -14.67352124
  H     11.65578616      6.72657272    -12.76004331
  O     17.02987289     10.76347111    -15.54259569
  H     16.05782573      6.84788455    -10.18072806
  H     10.86035128      8.02498970    -12.53136307
  O     15.77351730      5.48374936    -16.98710560
  H     15.01342501      7.88508727     -9.74117202
  H     17.95313557     11.46937945    -12.49678247
  O     18.11223862      6.35961643    -15.94744620
  H     14.38288768      5.81999211    -12.00809377
  H     18.92271210     10.36351744    -12.94978451
  O     14.45205743     11.95239869    -15.76696072
  H     13.75372620      6.33048012    -13.30886916
  H     18.58001741      7.46719917    -12.78845341
  O     15.96519902      8.68607874    -14.01997990
  H     14.38571243      9.56448901    -11.43018217
  H     17.19521021      7.54113115    -13.46841214
  O     19.64249021      8.78970558    -12.06640164
  H     14.09443432     10.46207691    -12.66134744
  H     17.64407818     10.24259669    -10.18937878
  O     10.90527041      7.23732740    -13.08647736
  H     16.47386842      8.42768595    -17.89507568
  H     17.32286398      8.77910528     -9.79423477
  O     18.44590914     11.14263812    -13.26000853
  H     15.54281582      7.21121509    -17.83111814
  H     14.25525303      9.27614311    -17.58704929
  O     17.87858942      6.92181546    -13.16723441
  H     16.57211136      4.61211563    -11.31057263
  H     12.94746197      9.36014514    -16.75379651
  O     18.04790966      9.38903510     -9.99639347
  H     16.83092064      5.91189913    -12.10285884
  H     13.38467184      7.57864931    -11.20571170
  O     13.59683227      9.89056549    -17.22983704
  H     17.54377159     11.01486082    -14.75729659
  H     12.53740687      8.80895582    -10.78507716
  O     13.35528004      8.33370706    -10.59742990
  H     16.22208811     11.28784337    -15.58388442
  H     13.26410897     11.25624036    -14.45529479
  O     12.76125517     10.68326258    -13.86408240
  H     16.65037898      5.70908268    -16.62631769
  H     12.55030725      9.88564230    -14.37466590
          69
 Energy    -248.63806672525970     
  O     -3.82664596      1.27447724      0.79046516
  H     -2.87768674      1.48540449      0.71822372
  H     -0.78049444     -6.72786437      0.13822739
  O     -3.22946997     -2.39017163      7.00391242
  H     -4.30068861      2.02193995      0.43639995
  H     -0.53050350     -1.13532737      0.99246643
  O      0.06200524      1.96213477      3.05096162
  H     -3.84892912     -1.77481025      6.59220024
  H     -0.99333871     -1.04543524      2.48280553
  O     -4.20666708     -0.25557118      3.09611753
  H     -2.35139594     -2.17951855      6.65826659
  H     -1.74326177     -4.67280803      1.36316314
  O      1.90479138     -1.79682217      5.03010745
  H     -0.49817039      1.28465609      3.46324446
  H     -1.66699148     -3.15777919      1.73564748
  O     -3.78721171     -4.87542801      6.07749036
  H      0.90536578      1.90350298      3.49314205
  H      1.50633653     -3.74761109      2.64010133
  O     -0.79517715     -2.12669763      5.60609273
  H     -4.34494807     -1.12840844      2.69803384
  H      0.84525581     -2.39301438      2.25652077
  O     -5.65761779     -3.46240084      4.40493465
  H     -4.14431304      0.37418007      2.36687062
  H     -3.82171941     -3.25456469      1.88691992
  O     -1.19523322      1.76632349      0.58241068
  H      2.70758783     -2.09180425      5.45425623
  H     -5.11806435     -3.07646934      2.72105252
  O      0.82715213     -5.34217245      3.02247124
  H      1.94816216     -2.12841738      4.12023363
  H      2.18791206     -2.45833731      0.74105089
  O      0.17439068     -3.99290313     -1.12553076
  H     -4.00367699     -5.48751493      6.77570480
  H      3.18723599     -2.24123646     -0.41849010
  O     -0.59643203     -5.91382098      0.59864856
  H     -3.60395384     -4.01687341      6.50183381
  H     -1.34752169     -0.77012880      4.57803311
  O     -0.70762185     -1.65170119      1.78698546
  H     -0.98826890     -2.98749697      5.20698023
  H     -2.50099685     -0.13419212      3.72155438
  O     -2.19819072     -3.96332305      1.83183846
  H      0.15993429     -1.99312303      5.53912517
  H     -0.50217031     -0.91851628     -1.18703238
  O      1.69874171     -2.82159500      2.42540696
  H     -5.09189828     -4.05677994      4.91256441
  H      0.92423725     -0.92060757     -0.56600058
  O     -4.64098136     -2.74093102      1.94850990
  H     -5.64655886     -2.62565401      4.88503983
  H     -2.51080801     -1.85046273     -1.37109205
  O      2.25798241     -2.23934128     -0.20357591
  H     -0.66743217      1.13520590      0.07803758
  H     -2.06688210     -2.03098219     -2.83946420
  O     -1.55586655     -0.09617086      3.91580727
  H     -0.70829986      1.94164069      1.40017396
  H     -5.80962312     -0.20744468      5.91467095
  O      0.10120399     -0.41930369     -0.61899841
  H      0.10581055     -5.20092266      3.65027987
  H     -4.88063838     -0.53900669      4.72683445
  O     -1.74837586     -2.05815224     -1.94081769
  H      0.41176356     -5.66878010      2.21425149
  H     -2.27050038     -4.81450268      4.98886430
  O     -5.19010170     -0.85686305      5.59096342
  H      0.93017014     -3.44472691     -0.88461216
  H     -1.83555976     -4.36381409      3.56660905
  O     -1.50651772     -4.56462372      4.45483650
  H     -0.51892676     -3.39003938     -1.42285370
  H     -3.85494499     -0.43580888     -0.05407531
  O     -3.82345540     -1.34692003     -0.36934217
  H     -0.27878418     -5.27724578     -0.06706574
  H     -4.22860800     -1.88309675      0.32412837
          69
 Ord_Energy   -248.638000    
 O    7.11119270       1.89091849       7.72666931    
 H    7.24717236       1.08616114       7.20752382    
 H    7.11310053       1.61226583       8.65022755    
 O  -0.309285283      -2.10552812       8.74712753    
 H   -4.50481698E-02  -1.17876482       8.60321045    
 H   -1.24436355      -2.09826612       8.93699455    
 O   0.774123430      -2.55416679       6.11535645    
 H   0.651087046      -1.67375648       5.73400593    
 H   0.352243632      -2.53983569       6.98256493    
 O   0.763619125       2.78220844       11.0163002    
 H    1.06442118       1.91953063       11.3252335    
 H    1.56128573       3.31119275       10.8913889    
 O   0.701904595      0.182918161       5.46641397    
 H    1.53484392      0.574479103       5.17075300    
 H   0.707480252      0.234930024       6.43423271    
 O    6.58410931      -1.57373309       8.90283585    
 H    6.71456909     -0.803786516       9.46877193    
 H    6.84833384      -1.29759550       8.01552105    
 O    3.07469797       1.55208111       4.78167391    
 H    2.64044380       2.38549757       4.56765366    
 H    3.65742230       1.76636302       5.52677965    
 O    1.99447811      0.331945390       11.9942160    
 H    1.77981555      0.106784619       12.8962879    
 H    1.93778741     -0.496310174       11.4856434    
 O    5.99322096E-02   3.05648088       8.37018490    
 H   0.897298872       3.43308616       8.06606960    
 H   0.114371121       3.02148318       9.33685303    
 O    3.17717457       4.15045929       10.2087812    
 H    3.46122169       5.01905537       10.4848785    
 H    2.97151327       4.21777248       9.26228428    
 O    2.56652474       4.08946133       7.50126553    
 H    3.29643822       3.46189356       7.37211275    
 H    2.25863695       4.29792643       6.61127090    
 O    4.77198553     -0.770170629       5.10449123    
 H    4.16191196      -8.02475885E-02   4.82283497    
 H    4.24387074      -1.52264881       5.39906168    
 O    6.82664156      0.866159081       10.4094229    
 H    5.93630123       1.14662647       10.6747961    
 H    7.39033175      0.992536366       11.1691885    
 O    3.98570395      -2.37481356       8.78730011    
 H    3.82190919      -2.70179129       7.89410353    
 H    4.93881035      -2.21648979       8.87536144    
 O    7.19040155     -0.564101756       6.31216812    
 H    7.84427357     -0.863411605       5.68595743    
 H    6.33002615     -0.610940814       5.85876274    
 O    1.87280118      -2.00001884       10.6007166    
 H    2.63723183      -2.24954486       10.0633345    
 H    1.09822011      -2.18228602       10.0559988    
 O    4.48521042       2.22321033       7.05259991    
 H    4.11862373       1.47440743       7.54677486    
 H    5.43509865       2.23840499       7.22768784    
 O    1.64289856       4.08276653       4.80762959    
 H   0.793564141       3.65703750       5.02265167    
 H    1.46296740       4.72499990       4.12632704    
 O    4.22856903       1.63589787       10.9675016    
 H    3.50743341       1.20532179       11.4485559    
 H    3.93834424       2.52769685       10.7341003    
 O   0.675942540      0.369901568       8.23953056    
 H    1.62553012      0.341653556       8.42656803    
 H   0.389568716       1.28733945       8.32691383    
 O  -0.574142098       2.73576880       5.60956907    
 H  -0.594143152       2.86171722       6.56733942    
 H  -0.325326681       1.81367958       5.46180582    
 O    3.41733932      -3.06819224       6.11331892    
 H    3.57916355      -3.90783978       5.69060946    
 H    2.45439744      -2.92527080       6.09117985    
 O    3.38802004      0.315095007       8.64152431    
 H    3.63270092     -0.619900525       8.65808392    
 H    3.69686127      0.718871295       9.46185589    
          69
 Energy    -248.63791978079934     
  O     19.57620199     11.06050286    -11.10622769
  H     19.22669594     11.03442942    -10.20636427
  H     18.49680901     11.03074268    -12.59235139
  O     19.70867289      4.80922727    -10.48169439
  H     20.51278055     11.29386936    -11.06586785
  H     22.56330878     10.64940476    -10.49445328
  O     20.71569910      5.15099756    -13.20490284
  H     18.83421017      5.22015444    -10.46484957
  H     22.96598172     12.06220317    -10.98328874
  O     22.75729014      9.36534553     -9.36306670
  H     20.01352426      4.85113963    -11.39396256
  H     19.19722864      7.58898004    -12.91650730
  O     17.15009584      6.06359502    -10.51239750
  H     20.73808913      4.43815144    -13.83829701
  H     19.29989137      7.96783503    -14.40853790
  O     22.33215648      7.27698202    -12.27406422
  H     20.08903155      5.81163003    -13.54526510
  H     20.88092500      5.40881558     -9.25991814
  O     20.21769916      8.40221512     -8.59754398
  H     21.91185570      9.09659819     -8.97903060
  H     21.02368739      6.67804309     -8.39616607
  O     14.08304281      8.05647221     -9.16540946
  H     23.24216900      8.54655943     -9.51755988
  H     14.69865618      6.17850239    -12.73434466
  O     23.71401989      6.73272081     -9.91035536
  H     16.34426228      5.68872790    -10.13442025
  H     13.47658444      6.94521688    -12.20426805
  O     19.84016838      8.26662771    -11.37439481
  H     16.94094208      6.26660112    -11.43482829
  H     16.22496862      9.27244359    -11.29983004
  O     18.37968984     10.56439059     -8.58899782
  H     22.88164870      7.05052023    -11.51241603
  H     16.54491843      9.96657351    -12.66195158
  O     17.94046095     10.79298347    -13.34771119
  H     21.93226590      6.46115986    -12.60062911
  H     16.19813206      7.76105336    -12.88043402
  O     22.35801303     11.34602201    -11.14467397
  H     20.01628360      8.19845979     -9.52372184
  H     17.27909965      6.87939880    -13.53925891
  O     19.05634850      7.24714428    -13.81461159
  H     19.63416885      9.13096892     -8.36132703
  H     22.31385319      8.88241306    -13.17987796
  O     21.49224772      5.88181128     -8.67457093
  H     14.14825772      7.09431764     -9.22717099
  H     22.24096567     10.37402341    -12.79858496
  O     13.84847864      6.05810626    -12.28851211
  H     13.64301695      8.34311342     -9.97554270
  H     15.78567235      8.55355243     -9.32254600
  O     15.88826376      9.43136103    -12.19193156
  H     24.48609038      6.25195403     -9.62745731
  H     17.05001511      7.82127643     -9.84261531
  O     16.41150547      6.84646027    -13.11753703
  H     22.95285145      6.35684816     -9.42840087
  H     12.63505282      9.46570882    -12.16645537
  O     22.10181754      9.75992353    -13.52829639
  H     20.74886853      8.02315806    -11.60327151
  H     14.13706550      9.13352670    -12.01993233
  O     16.70466870      8.69040358     -9.59947595
  H     19.77463520      9.23118356    -11.39035388
  H     20.70537653      9.69554635    -14.56103748
  O     13.24014998      8.81879064    -11.81323326
  H     17.73015231      9.91723760     -8.91951556
  H     20.10389979      9.88877720    -15.97309774
  O     19.89572610      9.58827108    -15.09269630
  H     17.94268608     11.07316837     -7.91147605
  H     14.22073818      5.46718528    -10.67837502
  O     14.52156640      5.28920056     -9.76872335
  H     18.54024930     10.44090176    -14.01443721
  H     14.12082149      4.46715648     -9.49980105
          69
 Energy    -248.63789677093376     
  O     -3.39442995     -2.58751788      0.73264176
  H     -3.64185046     -2.01771123      1.47997978
  H     -2.97344031     -4.36486195      1.30724834
  O     -1.19686368      2.35179578      5.85454334
  H     -4.00214149     -2.39094634      0.02366451
  H      0.37549763     -5.02938970      0.49912974
  O      2.43601863     -1.26257595      4.47426511
  H     -1.56118743      2.71282903      5.03742909
  H      0.06476389     -6.42983720     -0.08144240
  O     -1.34857502      0.49026708      2.66442344
  H     -0.58772264      1.64883788      5.58563161
  H      1.94561190     -3.49752210      6.40640002
  O      0.17979645     -3.49733461      6.20691099
  H      2.71718817     -1.90224429      5.13895991
  H      3.26203023     -3.48124412      7.21669516
  O     -3.15838043      0.88465371      7.02947264
  H      2.67306866     -1.64854591      3.62311275
  H      0.12990170     -4.06624774      3.28142760
  O     -1.72069643     -1.50556278      6.59181775
  H     -1.68260753      1.39044053      2.75338704
  H     -0.31124134     -2.70489978      2.66694810
  O     -0.80809384     -6.11687730      5.37667728
  H     -0.80863356      0.31333425      3.45051875
  H     -4.12989921     -6.35845589      4.25918521
  O     -4.45750791      1.27621916      4.49162669
  H      0.14028721     -3.32695599      5.25254759
  H     -3.18225194     -5.60994303      3.28912038
  O     -0.71900185     -1.70147607      1.10180695
  H     -0.42383523     -2.85849280      6.60632857
  H      3.32776374     -4.40868598      4.75266652
  O      0.89260557     -5.76560488      3.25626576
  H     -2.45319558      1.46609653      6.69088280
  H      2.57761002     -5.21805161      3.66582855
  O     -2.72945703     -5.22935789      1.65795081
  H     -3.45732296      1.26450134      7.85166914
  H     -3.50732762     -1.71105138      3.57974902
  O     -0.14549251     -5.84159151      0.63884703
  H     -2.26247641     -0.74803195      6.84298309
  H     -2.89845213     -0.47171623      2.86009623
  O      2.91185481     -3.41892498      6.33197593
  H     -2.23773025     -2.02801484      5.96063980
  H      4.20601184     -2.46758694      1.80947988
  O     -0.30564238     -3.22594553      3.47701276
  H     -1.72186539     -6.01326677      5.08387980
  H      3.42966779     -3.46204714      2.70474204
  O     -3.41575437     -5.72809790      4.22851343
  H     -0.56948810     -5.30481730      5.84036689
  H      0.92414133     -0.40013339      4.80819430
  O      3.40654434     -4.75399808      3.85525335
  H     -4.40335136      0.45314625      3.98911569
  H     -0.45368244     -0.56682253      5.53691485
  O     -3.70801907     -0.99580836      2.95706826
  H     -4.14542835      1.07348331      5.38246287
  H      1.99297669     -3.27156738      0.93695335
  O      3.33034622     -2.69374117      2.11338853
  H     -1.59646843     -2.01797056      0.85347404
  H      0.59902700     -2.80164983      0.48308809
  O      0.06449406      0.01598397      4.96868172
  H     -0.84144437     -0.83919074      1.52213653
  H     -2.94065294      3.71274096      3.01096424
  O      1.23250708     -3.52795681      0.40040646
  H      0.29664989     -6.06339405      3.96042031
  H     -3.32510854      2.41456056      3.76283743
  O     -2.57760571      2.91911739      3.39392031
  H      0.52242663     -6.01044718      2.40074388
  H     -1.96769139     -3.11702092      4.13804574
  O     -2.83682948     -3.03397170      4.56241718
  H     -1.87363361     -5.45379761      1.27199638
  H     -3.20740927     -3.92396644      4.57703248
          69
 Energy    -248.63776495240364     
  O     13.24362535     15.09758876    -11.38988822
  H     12.89329951     14.19808930    -11.25623983
  H     12.98366270     12.07232876    -15.57162928
  O     16.47059752     10.30321425    -17.65145603
  H     12.71046926     15.68003294    -10.85504657
  H     14.86690182     13.22246173    -17.09003077
  O     14.36409574      9.32568372    -11.69749175
  H     16.19113300     11.23508250    -17.60276046
  H     16.39843009     13.44085664    -17.03557197
  O     18.03860974     14.46883010    -12.17796498
  H     16.77586376     10.15287686    -18.54201842
  H     13.48395709     14.29841395    -15.50908136
  O     14.41352764      9.18844235    -16.12974484
  H     14.76897226     10.04749911    -11.19917579
  H     12.58625079     14.32323595    -16.76829132
  O     13.27103994      6.74139163    -11.72889554
  H     13.51794929      9.66365933    -12.02460941
  H     13.36974609     12.20774564    -10.74630637
  O     14.80119744      5.80080412    -13.76428465
  H     18.03659934     13.68926975    -12.75694612
  H     12.11139067     11.81784885    -11.53365937
  O     15.06939114     12.44617696    -13.51802080
  H     18.90050544     14.50158347    -11.76885557
  H     17.49404007     10.02232905    -16.02489692
  O     11.92998491     10.31031196    -12.69253568
  H     15.06565677      9.49719772    -16.77014539
  H     17.29045080      9.36327836    -14.64593304
  O     15.84730898      8.42332135    -13.87687092
  H     14.91021927      8.93721700    -15.33564728
  H     13.22100907      7.77165996    -15.78121192
  O     17.74878484     12.43483077    -14.04554897
  H     13.70478560      7.58062175    -11.51891574
  H     13.43605468      6.50723065    -14.93166899
  O     13.01860525     11.27857928    -15.02539380
  H     12.42227341      6.98222196    -12.12010214
  H     17.05151032     15.53713611    -14.95028884
  O     15.70769480     12.88685727    -17.42039543
  H     15.12688809      4.91645754    -13.62268856
  H     17.15616069     15.62102257    -13.42233643
  O     13.22961211     13.79529320    -16.30206233
  H     14.27322131      6.03700718    -12.97966263
  H     15.19344628     11.95697725    -11.75478004
  O     12.49138240     12.52407657    -10.99757308
  H     14.42624884     11.91342821    -14.00107491
  H     15.53192360     12.58977848    -10.39741780
  O     17.87853093      9.94789757    -15.14317127
  H     14.77849122     13.36258729    -13.61207127
  H     13.73588903     15.16537104    -13.13795474
  O     12.75129626      7.05235723    -15.33955446
  H     11.50016645      9.46460118    -12.87041110
  H     14.95747152     15.47471682    -14.07644662
  O     16.65370386     15.95528321    -14.17623852
  H     12.20384688     10.67432752    -13.54782411
  H     10.20027342      7.30967294    -13.45414608
  O     15.21885430     11.77080579    -10.80335116
  H     15.40508055      8.79013096    -13.09812730
  H     11.60196945      7.48121132    -14.08569378
  O     14.09847854     15.02759156    -14.02290094
  H     15.66010553      7.47608059    -13.87451285
  H     16.57730362     14.51384628    -10.91709875
  O     11.05714509      7.70187566    -13.30901227
  H     17.96257680     11.55271344    -14.38158261
  H     15.07013376     14.76479184    -10.65529467
  O     15.87291570     14.39700555    -10.26769604
  H     16.79405368     12.42405946    -13.87471386
  H     17.87553408     13.57405402    -15.41141905
  O     17.83158589     14.23715759    -16.12195928
  H     13.44933932     10.57168072    -15.52750516
  H     18.70944196     14.30740210    -16.48924033
          69
 Energy    -248.63774927780710     
  O     12.23001013     10.22083986    -15.29860986
  H     13.00849315      9.93140900    -15.78612960
  H     19.91300965      9.94939445    -13.83919452
  O     17.13168592      7.27880590    -13.85224591
  H     12.47339432     11.03890705    -14.84852583
  H     16.04111454     12.70409512    -15.23596158
  O     16.53288389     10.38299930    -10.62195489
  H     17.62076868      7.51011990    -13.05060791
  H     15.07901907     12.45906054    -16.42129093
  O     17.57945488     11.93513324    -14.50636149
  H     16.32759152      6.82119413    -13.56939799
  H     16.39810027      8.94685075    -13.97265288
  O     13.45150316      6.76113721    -15.37399710
  H     15.69395092     10.53522666    -11.07937132
  H     16.50119083     10.49364275    -14.24396023
  O     13.81200791      7.07370456     -9.44048898
  H     16.32822996      9.91417013     -9.80243316
  H     10.29857613      7.95165098    -14.19239586
  O     14.76751685      6.22118748    -12.90697146
  H     18.27002511     11.44997824    -14.97842874
  H     11.51142769      8.86758355    -14.49167095
  O     14.23128866     10.66565332    -12.16164194
  H     17.88801548     12.08725859    -13.60385922
  H     17.85151108      7.10170187    -10.20919097
  O     15.27436326      5.00255892    -10.41649752
  H     12.61528534      7.06296805    -14.99888823
  H     16.81549853      6.01047136     -9.83214669
  O     19.39779259     10.17770687    -15.69244261
  H     13.94152656      6.38929945    -14.62960900
  H     18.65151076     12.75383144    -11.23321905
  O     17.60924465      8.24288894    -16.40476448
  H     14.41412916      7.72187011     -9.05739604
  H     17.74890291     11.50386542    -11.32992823
  O     20.04282075      9.91525164    -12.88364952
  H     13.41817096      7.49007910    -10.22033634
  H     17.64088527      8.97976749    -11.29008274
  O     15.15563834     12.90270921    -15.56501014
  H     14.19945431      6.92780494    -12.56754750
  H     19.01451742      8.75807169    -11.97606418
  O     15.89229652      9.76440205    -14.06843914
  H     14.97299447      5.65842434    -12.15064469
  H     16.09976452      8.82284079     -7.49566071
  O     11.23454486      8.04896549    -14.04088477
  H     14.79501076     10.29233675    -12.86141417
  H     16.52352822      7.97315315     -8.71851648
  O     17.40959327      6.67429323     -9.46192329
  H     13.75888521     11.39548691    -12.57824181
  H     14.84325252     10.44736968    -17.48433101
  O     18.39882354     12.04006990    -11.81371655
  H     14.69943846      5.67559753    -10.00744224
  H     14.50891690     11.29921901    -18.71788356
  O     18.26808543      8.29831151    -11.56438152
  H     15.02408823      4.16138766    -10.04363512
  H     12.31617946      8.11128922    -12.53931261
  O     15.97132051      8.72548387     -8.43558755
  H     18.78774116      9.48330420    -15.99661622
  H     13.36864536      9.08007061    -11.92894566
  O     14.93423137     11.33486814    -17.86442379
  H     20.05944117     10.27492897    -16.37253409
  H     12.57967300     13.36650352    -13.83636568
  O     13.02215978      8.17851218    -11.88399697
  H     17.52844427      7.73253584    -15.58419566
  H     13.83386441     12.73590766    -14.48749114
  O     13.08045275     12.55762829    -13.89403486
  H     16.70698360      8.41524244    -16.68763393
  H     15.08229597      9.31994458    -15.59060913
  O     14.67646662      8.99315104    -16.40875748
  H     19.64153345     10.71805662    -12.52830636
  H     14.25783375      8.14777006    -16.18811398
          69
 Energy    -248.63773778400042     
  O      0.05658783      1.06557674     -1.94657310
  H      0.53555723      1.90460523     -1.85307866
  H      0.51133454     -1.12658526      2.98126144
  O      1.29217512      3.42928655     -1.32941064
  H      0.67315921      0.38975309     -2.25040447
  H      2.84308843     -0.55905475      1.91534755
  O      0.49364390      1.12480454      0.86870509
  H      2.10152346      3.31454491     -0.81471305
  H      2.14874730      0.68588148      1.33428672
  O     -2.64043973      1.00466089     -1.71162520
  H      0.62904287      3.73088952     -0.69257851
  H      3.23681453      1.36329274      3.25941351
  O     -2.88601271      2.25013545      0.80166524
  H      0.30702213      0.84894819     -0.03580317
  H      3.23994762      2.86115724      3.61913177
  O      1.91736123     -0.96485941     -2.43025551
  H      0.23626860      2.05410370      0.91558054
  H     -3.69423505      3.24101803      2.17226323
  O     -2.00660622     -1.25805046     -0.03325217
  H     -1.68195351      1.06067623     -1.87481526
  H     -4.14127553      2.78904704      3.57330605
  O      3.50681298      2.97967259      0.41070314
  H     -3.06934818      1.06264109     -2.56110444
  H     -0.55793322      4.64334973      3.82303534
  O      0.63147081     -2.14197448     -0.12035575
  H     -2.81220501      1.46909997      1.36963152
  H      0.30267650      3.35358637      3.85814430
  O     -2.21045732      5.03556330      4.51299463
  H     -2.92459626      1.91877052     -0.10381265
  H      0.25153016      0.96528523      4.21210971
  O     -2.77137528     -0.02265018      2.44407830
  H      2.66670583     -0.50775493     -2.01031717
  H      1.47730420      1.80731942      4.63709350
  O     -0.11319845     -0.39720566      3.05540826
  H      2.26327758     -1.41549079     -3.19614610
  H     -3.27358110      1.59560053      5.14381826
  O      3.01266486      0.34543165      1.62142124
  H     -2.31570682     -0.60233568     -0.66854480
  H     -4.64482088      0.89609312      5.30376341
  O      3.16784896      1.97773819      4.00019097
  H     -2.37939901     -0.98668367      0.81445773
  H     -1.05431944      2.19177538      5.60470499
  O     -3.95380762      3.57284642      3.04166007
  H      3.34660253      3.62963942      1.10767407
  H     -2.01003143      3.40160220      5.56691326
  O      0.22653831      4.22632870      3.44440219
  H      3.50170942      2.12925350      0.86411612
  H      3.97729241      1.33643853     -1.08477367
  O      0.51263062      1.75755537      4.70043093
  H     -0.30454025     -1.89114667     -0.12144681
  H      3.70124936      0.16676369     -0.14757565
  O     -4.01688118      1.19985626      4.65389245
  H      1.01268720     -1.84070543     -0.95111701
  H     -0.31854600      3.98910554      1.71229494
  O     -1.94341649      2.48210192      5.85023460
  H     -2.85823091      4.57929674      3.94549413
  H     -1.39555606      3.30482644      0.81102602
  O      3.86340707      0.38248462     -1.07616722
  H     -2.62592310      5.83883783      4.81409325
  H      2.20258061     -3.06224010      2.45100764
  O     -0.51834081      3.71406816      0.80855575
  H     -3.27831343      0.28634177      3.20501432
  H      1.47457521     -2.22609396      1.36651305
  O      1.94078844     -2.17499120      2.22322317
  H     -1.88590694     -0.23703163      2.77210174
  H      1.93777911      4.53694825      2.95455575
  O      2.87597073      4.54776173      2.70403311
  H      0.01642484      0.13561572      2.25277114
  H      3.22604751      5.38632646      2.99595586
          69
 Energy    -248.63751812555691     
  O     16.96600668     12.36574703    -16.98115760
  H     17.16672026     13.05335385    -17.61038147
  H     16.51758320      6.76060181    -18.10568008
  O     15.36671088      7.23404500    -13.35731332
  H     16.02949018     12.47600817    -16.73398924
  H     14.51116059      9.66539470    -15.44174403
  O     17.65236253     12.52818593    -14.18180475
  H     15.20067324      7.53537686    -12.45688548
  H     16.04774929      9.49580220    -15.58923591
  O     19.74961126      6.46785876    -16.57048454
  H     15.32367962      8.02771884    -13.91637938
  H     12.75305068      9.75498835    -12.74270190
  O     13.23684162      8.07349716    -18.21897534
  H     16.77642037     12.39782146    -13.79082028
  H     13.84080088      9.69772386    -11.64539101
  O     11.73500391      8.86214147    -14.19175485
  H     17.51751331     12.55701750    -15.13538873
  H     18.06207697      8.28263100    -12.03216906
  O     19.06355959      4.56875891    -14.52470028
  H     19.72481146      7.33273192    -16.14298196
  H     18.35817777      9.78555721    -11.98709136
  O     15.23367227      8.60427215    -10.91597358
  H     19.67786146      5.81785852    -15.85989993
  H     12.98648675      9.51915343    -17.05854606
  O     17.94133975      5.63214704    -18.41610920
  H     14.17140976      7.81993296    -18.13396354
  H     12.42655192      9.83067661    -15.63565979
  O     14.95163496      5.72688897    -15.61399260
  H     13.00652226      7.97033255    -19.13879214
  H     19.43661616      9.53924715    -14.46120970
  O     17.04637489      3.98271608    -16.23157725
  H     10.81105658      8.81433846    -13.95605560
  H     18.80449006      8.13463104    -14.46383207
  O     15.86883607      7.39317161    -17.77141473
  H     11.93713946      8.04256790    -14.67601451
  H     18.43663183      6.05505485    -13.62101776
  O     15.31574862      9.42528346    -14.96394615
  H     18.32812470      4.27753130    -15.09333764
  H     17.15952040      6.91687609    -13.35875566
  O     13.20699976     10.28482875    -12.07737468
  H     19.49831746      3.78167363    -14.20859785
  H     20.21095106     11.36325774    -12.78490026
  O     17.84038678      9.09575707    -11.55801561
  H     16.14805499      8.88398162    -11.10100468
  H     18.84624244     11.50687211    -13.49980527
  O     12.98211899     10.17392370    -16.34883751
  H     15.20565857      8.36664562     -9.99266376
  H     18.04213252      9.36833707    -16.29275734
  O     19.20293223      8.80392855    -15.04085638
  H     18.62445725      5.97497777    -17.81130931
  H     17.27691760     10.54479430    -17.00025506
  O     18.12638407      6.91653607    -13.31793077
  H     18.38833253      5.37769501    -19.21881119
  H     14.37737669     11.49746213    -12.85836746
  O     19.48366610     10.86186258    -13.14324531
  H     15.26666360      6.34561299    -16.28705477
  H     15.30099241     10.95972819    -13.94077348
  O     17.30196927      9.58687888    -16.87821420
  H     15.07631844      6.15673090    -14.75465977
  H     13.81608110     11.85033131    -16.31024260
  O     15.08056100     11.77201417    -13.46064481
  H     17.30856366      4.38535720    -17.06816078
  H     14.54262328     12.50866800    -15.13030385
  O     14.42138282     12.56987289    -16.08789782
  H     16.23504010      4.43799201    -15.96553406
  H     13.12682299      6.22794512    -15.66795416
  O     12.33178883      6.75366478    -15.82422835
  H     16.36560524      8.18584880    -17.52156794
  H     12.45813109      7.12805962    -16.70405708
          69
 Energy    -248.63589862627106     
  O     12.22948959     10.84417604    -14.12910368
  H     12.39581416     10.12013641    -14.74877942
  H     15.16077810     10.53941717    -17.37270902
  O     16.17190740      6.44260244    -13.09293913
  H     12.80534508     11.56606929    -14.40667989
  H     14.58473541      8.78477076    -14.78559505
  O     18.04047583     10.71967253    -11.91171316
  H     15.69741319      6.24323393    -12.27733357
  H     15.55396639      8.01284580    -13.83509396
  O     18.06542727     11.02974977    -16.34086490
  H     16.99857198      6.87730296    -12.83778181
  H     11.17850002     10.02797771    -11.29088759
  O     12.41114576      6.15730238    -14.73523487
  H     17.25381641     11.00659082    -12.40267430
  H     12.08042496     10.20108247    -12.53420284
  O     15.71224186     11.29622980    -13.20427965
  H     17.78497261     10.69551858    -10.98221122
  H     16.93746215      8.53373967     -9.53671530
  O     16.05542848      6.55424358    -17.73507280
  H     18.64643815     11.20669134    -15.59367979
  H     17.61360669      7.58676133    -10.54584754
  O     14.85423118      6.17565241    -10.60206527
  H     17.99466792     10.06539522    -16.37888418
  H     12.50251927      8.01749850    -12.01096419
  O     17.58061639      8.29297997    -16.07775257
  H     12.51841461      6.47304960    -13.81821403
  H     13.41761494      6.83178033    -11.61289614
  O     15.07068004      5.49474191    -15.47733654
  H     11.62336173      5.62108115    -14.75078623
  H     20.51177808     11.70720303    -13.78447524
  O     19.90869517      8.24528312    -14.48948611
  H     15.25014292     11.92275922    -13.77133848
  H     19.25255302     11.02003971    -13.21926047
  O     15.40362281     11.38203046    -16.97984736
  H     15.62353990     10.42510025    -13.62239780
  H     19.01592623      7.86004690    -12.96368033
  O     15.44213707      8.82602054    -14.34459993
  H     16.43725690      5.86289317    -18.26869123
  H     18.19733944      8.85659371    -12.13082583
  O     12.02388170      9.78085154    -11.65650974
  H     15.69472025      6.12767224    -16.93505101
  H     15.93658226     10.53118027     -9.78650388
  O     17.00280466      7.60666934     -9.79680149
  H     15.57753305      6.71779061    -10.23966185
  H     16.81148885     10.92093139     -8.56928722
  O     12.74755976      7.11409456    -12.24668214
  H     14.80262610      5.39514311    -10.05627483
  H     15.05081870      8.03223950    -18.04557681
  O     19.80796719     11.10400915    -14.01114467
  H     16.86164389      8.52373901    -15.47089282
  H     14.24619709      8.89634628    -19.04044525
  O     18.36962847      7.91287823    -12.24532202
  H     17.20996379      7.66996630    -16.71003698
  H     13.65229566     10.39603892    -10.91206505
  O     16.81071186     10.40612284     -9.37129327
  H     15.55499996      5.71297492    -14.66883040
  H     14.87618805     11.02284575    -11.59574809
  O     14.47990884      8.81314648    -18.11850182
  H     14.13738416      5.61234341    -15.26328570
  H     14.57257157     12.27611169    -15.78021234
  O     14.52234023     10.76729437    -10.73210212
  H     20.04822658      9.19595667    -14.39890031
  H     14.08306253     13.65929161    -15.28805491
  O     14.15570243     12.74421951    -15.03264282
  H     19.17502535      8.15544404    -15.11404018
  H     12.72349916      7.80287920    -15.52274452
  O     12.99614742      8.70436503    -15.73785503
  H     16.35311780     11.33901336    -16.78547832
  H     13.38832298      8.70750251    -16.61990093
          69
 Energy    -248.63543374833233     
  O      9.79491815     11.97815065    -10.36936350
  H     10.01198359     11.66905821    -11.26494081
  H     12.86779236     13.53428484    -13.05013776
  O     13.24101277      9.22254179    -16.62966141
  H      8.89676056     12.29881797    -10.39994068
  H     16.66974753     10.40605677    -10.45128319
  O     11.46827210      7.22141087    -10.59047989
  H     12.88039141     10.11317401    -16.46867750
  H     16.72059099      9.57623612    -11.74764987
  O     14.08434729      8.36521230    -14.10793655
  H     13.58218108      9.22289231    -17.51998965
  H     15.46477936      7.90755102    -13.04388867
  O     12.05880148     11.61867064    -16.10659850
  H     11.14639475      7.92690778    -10.01368891
  H     16.76712710      7.13728051    -12.73408642
  O     11.54444083      8.45106608    -13.03775602
  H     12.41792593      7.15292501    -10.42369890
  H     13.75852236     15.57381302    -11.75150860
  O     15.02852085      8.02584856     -7.61137890
  H     13.91600532      8.57098191    -15.03670233
  H     14.31479728     14.16847603    -11.43198427
  O     13.35591607     10.14866165    -10.61284715
  H     13.21681429      8.31069664    -13.67727061
  H     14.63270502      7.59225938     -9.35854622
  O     12.96794976      9.74496579     -7.19112337
  H     12.31994804     12.15820183    -15.34887465
  H     15.01707378      7.50759416    -10.87718629
  O     15.61181824     13.18378849    -10.74145072
  H     11.11867201     11.43795725    -15.98585419
  H     10.03904379     11.03320779    -13.69101857
  O     11.01730209      9.67585760     -9.23094823
  H     11.44089507      7.94832560    -12.21720823
  H     11.28530224     11.74229113    -13.10022465
  O     12.67591856     12.77503043    -13.61196280
  H     11.24583430      9.35269577    -12.86859850
  H     13.35700328     12.61898983     -8.75771591
  O     16.71498533     10.48225218    -11.41761990
  H     15.21805478      7.50081847     -6.83864070
  H     13.87537312     11.28664508     -9.33128327
  O     16.16216746      7.78387166    -12.37788036
  H     14.26236402      8.58620176     -7.39024765
  H     14.42407114     10.05223500    -13.51252317
  O     13.51725729     14.65166340    -11.71230947
  H     13.65837711     10.47092952    -11.46823008
  H     15.35063705     10.85264163    -12.54257519
  O     14.27932732      7.54307729    -10.25732461
  H     13.70772583      9.25385091    -10.50555757
  H      8.56847187     10.75961347    -15.85847158
  O     10.55523199     11.14396046    -12.88212185
  H     12.16874632      9.63726164     -7.72410828
  H      9.75856048      9.81407553    -15.56486387
  O     14.06507244     11.96454202     -8.66086995
  H     13.31261243     10.61368006     -7.43015305
  H     16.07704126      9.49563910     -8.27038370
  O     14.53330788     10.89715192    -13.05794510
  H     15.18885802     12.85627798     -9.93661565
  H     15.72179915     10.97563725     -8.46249838
  O      9.41305595     10.71356303    -15.41940680
  H     16.17663292     12.46711241    -11.04492455
  H     12.39313408     14.01766338    -10.25387983
  O     16.38861824     10.31206920     -8.67867951
  H     11.80753595      9.85073274     -9.76808707
  H     11.25295647     13.09353291     -9.76198465
  O     12.02374594     13.59445563     -9.46939404
  H     10.41927385     10.40139644     -9.43854329
  H     10.88467517      8.18406951    -14.74697591
  O     10.65332465      8.31633776    -15.67837265
  H     13.40111686     12.14589323    -13.46484900
  H     11.49102601      8.46590433    -16.13175133
          69
 Energy    -248.63543149308828     
  O     21.36531199     11.82894558    -17.56847563
  H     21.46412821     12.78278168    -17.40169452
  H     18.31654124     11.32008278    -18.42145127
  O     16.40275543     17.41603157    -15.37779090
  H     22.20448092     11.52460974    -17.90494485
  H     15.55474554     10.74991842    -12.60602484
  O     21.50934692     15.68469777    -14.51821801
  H     16.53498359     17.38444927    -16.33250364
  H     15.06100620     10.31725598    -13.99155748
  O     15.54704355     13.43126986    -14.15915157
  H     17.28956156     17.39334350    -14.99725186
  H     18.48216693     16.42431733    -13.48162365
  O     17.37404777     10.80469287    -16.88786493
  H     22.14941129     16.22979573    -14.06826638
  H     18.62911158     15.90688047    -14.94266203
  O     17.24069404     10.62743952    -11.62360411
  H     20.64975655     16.13057127    -14.42528938
  H     18.60630738     13.19817348    -13.03822301
  O     15.86434529      9.07555273    -15.25626780
  H     15.12381858     14.24594367    -13.86299990
  H     17.05145950     13.24523540    -13.16133664
  O     21.59411302     14.52391846    -17.17101550
  H     15.10640871     12.64724497    -13.79829552
  H     18.84952149      9.61604220    -14.31272054
  O     19.37923795     15.72426973    -18.44988721
  H     18.17331339     10.83870239    -16.34338609
  H     17.96630241      9.58691202    -13.03432262
  O     14.88978431     16.08394130    -13.53438055
  H     16.77685829     10.17977873    -16.45908732
  H     15.86926838     14.33101077    -18.27788525
  O     19.96157999     13.32347653    -14.21726760
  H     17.34252921     10.54973460    -10.67861534
  H     16.66911962     14.56155015    -19.57813981
  O     18.93307023     11.72394160    -19.04531165
  H     17.47957792     11.54099183    -11.85750787
  H     16.55943687     16.48551985    -18.47858227
  O     14.87644554     10.92996878    -13.26863958
  H     16.68774496      8.98474363    -14.74157117
  H     16.71341001     18.00547267    -18.72899094
  O     18.91913001     16.60009579    -14.32934137
  H     15.53663111      8.19347783    -15.41077027
  H     16.51381119     16.02433381    -12.43888991
  O     17.78321435     13.13530473    -12.53464135
  H     20.96512817     15.04574523    -17.68688993
  H     17.56466041     14.96833139    -12.05434500
  O     18.17601118      9.10552427    -13.84520260
  H     21.64728371     14.94460281    -16.30503167
  H     20.38676727     11.00674589    -16.16019668
  O     15.98422471     14.94568740    -19.01716372
  H     19.08355441     15.15711487    -19.17598161
  H     19.87823777     11.64962394    -14.86964640
  O     17.00921733     17.29294324    -18.16800072
  H     18.70146246     16.40409128    -18.34380259
  H     18.80179347     14.84750330    -16.92613511
  O     17.41715553     15.92106692    -12.11570963
  H     14.12918354     16.61181268    -13.30646010
  H     17.56041426     14.11347483    -16.35366700
  O     19.78600485     10.85837969    -15.41953348
  H     15.35864086     16.56254076    -14.24161147
  H     18.43413873     13.83318088    -21.30532542
  O     18.40594045     14.51037846    -16.11339070
  H     19.40523418     13.65529780    -14.94298287
  H     18.51233557     13.13007969    -19.92949779
  O     18.30720602     13.97421247    -20.37128444
  H     20.66400145     13.97469947    -14.12389438
  H     15.74690555     13.31190970    -15.91285281
  O     16.04472624     13.23772579    -16.83128840
  H     19.79253525     11.73302472    -18.60624108
  H     16.45295439     12.36579170    -16.92227359
          69
 Ord_Energy   -248.635376    
 O   -1.76780343       4.68504333       6.15382004    
 H   -2.33470345       5.42296457       6.44231367    
 H  -0.953566194       4.75649071       6.64514685    
 O   -3.53798008       1.96428692       3.79090142    
 H   -3.73711681       1.64722872       2.89762712    
 H   -3.13029528       2.83303642       3.67605472    
 O   -4.27744389       1.63179421       1.14286196    
 H   -3.75062466       2.37945509      0.833783507    
 H   -5.19641256       1.92212808       1.08627009    
 O   -9.57458496       4.49989891       4.77380991    
 H   -9.99800968       5.06642914       5.43361044    
 H   -9.06694508       3.83820033       5.26892328    
 O   -6.95820570       8.56464005       5.70320845    
 H   -7.31010437       8.25496960       6.54443550    
 H   -7.41270781       8.04145050       5.02656317    
 O   -4.31003666       8.73227310       5.17004204    
 H   -4.05152464       9.64924240       5.13790607    
 H   -5.26455975       8.71814728       5.36576176    
 O   -8.02515984       6.34036922       1.24663007    
 H   -7.12706470       6.08154726       1.00460446    
 H   -8.53142738       5.52407885       1.34475172    
 O   -6.25031328       2.50373530       4.02933788    
 H   -5.31972313       2.24703932       4.04126453    
 H   -6.49551249       2.59937048       3.09991837    
 O   -8.02807331       2.65531349       6.11326265    
 H   -7.45653820       2.41852951       5.36712122    
 H   -7.43576050       2.68331981       6.87113142    
 O   -2.36499906       4.53810787       3.40680218    
 H   -1.99831259       4.55533504       4.29978752    
 H   -2.97331095       5.29172087       3.36569810    
 O   -10.3339243       6.36826801       6.66172266    
 H   -10.8516998       7.16275024       6.54791784    
 H   -9.54341698       6.63793755       7.15152931    
 O   -3.59221578       2.49732351       6.55708265    
 H   -3.55944419       2.09969592       5.67780638    
 H   -2.96031213       3.22535753       6.52747917    
 O   -5.84441757       2.74216652       8.06547356    
 H   -5.79078341       2.12071443       8.78653240    
 H   -5.04579163       2.60660934       7.52402496    
 O   -6.80229568       3.01379085       1.37416971    
 H   -6.32870531       3.85224509       1.27167654    
 H   -7.73267984       3.23178792       1.51154459    
 O   -4.24175882       6.55798531       3.38154817    
 H   -4.16282845       7.40393257       3.83515882    
 H   -4.82553530       6.01777554       3.94032288    
 O   -6.03069401       5.15643501       4.82917929    
 H   -6.77983522       5.67223263       4.49885702    
 H   -6.15152550       4.23197603       4.57784796    
 O   -5.31297874       5.39224958       1.07351434    
 H   -5.01733875       5.91410255       1.83313155    
 H   -4.51068878       4.98557901      0.725251079    
 O   -8.10866547       6.75445557       3.95386052    
 H   -8.09358406       6.74701262       2.98599482    
 H   -8.72094727       6.06653595       4.24558592    
 O   -7.98179054       7.19835186       8.02027130    
 H   -7.94135714       7.49740171       8.92539406    
 H   -7.25802231       6.55803680       7.90748119    
 O   -5.92991543       5.46747398       7.54314423    
 H   -5.96666098       5.37924004       6.57685661    
 H   -5.90879869       4.56663418       7.88949060    
 O   -3.43117213       6.66434813       6.95157337    
 H   -3.66950941       7.40891600       6.38660431    
 H   -4.26131487       6.30221176       7.28747034    
 O   -9.39857864       3.91453958       2.05892420    
 H   -9.50347328       4.07691336       3.01079226    
 H   -10.2389174       3.58432579       1.74924588    
 O   -2.80036092       4.07064486      0.692316234    
 H   -2.02959013       4.21835375      0.149367034    
 H   -2.52184582       4.20960999       1.61227882    
          69
 Energy    -248.63500236546821     
  O      2.87975018     -2.35226968      4.51772019
  H      3.12301601     -1.91000688      3.69603195
  H      2.24138093     -0.74519624      1.98890262
  O     -1.42251681     -5.35986770     -0.97456842
  H      1.93802524     -2.17218448      4.63443051
  H     -2.80071855     -4.69188274      2.76118220
  O     -2.18317664     -3.82317129      1.24463914
  H     -1.86389998     -5.67295697     -1.75952828
  H     -2.56174406     -4.75388568      4.29170026
  O      4.60036808     -7.42211420      4.99640489
  H     -1.23245949     -6.14574947     -0.43034069
  H     -0.79191927     -4.64317768      5.51846581
  O      2.57543874     -9.45949166      5.01241240
  H     -2.05134818     -4.36341476      0.45306636
  H     -1.69717871     -4.11618758      6.65705330
  O      0.40052227     -3.14898168     -1.07369783
  H     -1.99617185     -2.91182630      0.98561182
  H      3.13603525     -4.11480743      4.66412942
  O     -0.97678511     -7.45191487      0.63584406
  H      3.92867903     -8.10431960      5.11669345
  H      3.17484090     -5.33779941      3.69913968
  O      1.56736753     -8.01459523      1.58988553
  H      4.13965666     -6.57341264      5.05893401
  H      5.29544347     -7.50528228      3.39009952
  O      3.60664184     -9.72536879      2.29739374
  H      2.40934305    -10.15093333      5.64898994
  H      6.48555522     -7.57604315      2.40298710
  O      0.05077670     -2.09867533      4.30216266
  H      1.70838947     -9.10927458      4.75256956
  H     -1.63604552     -0.79700630     -0.43435066
  O      0.46478372     -5.69502557      4.86867726
  H      1.20042720     -3.32824558     -0.56206484
  H     -0.60806165     -1.94911877     -0.31476313
  O      3.15463729     -1.08199410      1.94075071
  H     -0.09923861     -3.97402383     -1.11256204
  H     -3.18160307     -8.35214188      3.18580055
  O     -2.91595429     -5.24801124      3.54356433
  H     -1.50085592     -7.63039597      1.42399421
  H     -2.58523179     -6.93099318      3.30980191
  O     -1.51055486     -4.01931773      5.72662635
  H     -0.06580028     -7.69434812      0.85308462
  H     -0.07725033     -0.64128356      1.50455368
  O      3.11543220     -5.08235929      4.63167710
  H      2.08566276     -7.20179290      1.67485576
  H      0.27361536     -0.77502470      3.00236988
  O      5.53367900     -7.55347156      2.44571783
  H      2.20283292     -8.73964668      1.66966514
  H     -0.68735775     -8.29410865      3.79874498
  O     -1.21640540     -1.38075019      0.19247055
  H      3.35605442     -9.77624801      3.22807302
  H      0.71260160     -8.22269187      3.13897503
  O     -2.36427635     -7.86351078      3.13532722
  H      4.33918942     -9.09756738      2.25834807
  H      3.24840452     -5.12153115      1.42044214
  O      0.55252360     -0.35497535      2.17714721
  H      0.20325282     -2.74746024      3.59752723
  H      4.17120190     -6.32260357      1.91525171
  O      0.25842542     -8.32630313      3.99057387
  H     -0.56487892     -2.52877734      4.90443939
  H      0.31432288     -4.82127067      3.18981812
  O      3.30042910     -5.91092853      1.97516914
  H      0.38403453     -6.63175100      4.65281986
  H     -0.54802504     -4.17123046      2.05662277
  O      0.32777246     -4.18708945      2.46263884
  H      1.40921650     -5.48467638      4.91599883
  H      1.71851109     -3.78616173      1.40765786
  O      2.45879122     -3.56304480      0.81844567
  H      3.70964239     -0.33996873      1.71711149
  H      2.80559056     -2.71580094      1.12519776
          69
 Energy    -248.63498938455024     
  O     14.32801756     13.47488219     -8.49973632
  H     14.17118363     12.51271203     -8.52160966
  H     12.77847458     10.38692371    -11.88312483
  O     13.42575583     11.33468288    -16.38326364
  H     14.26936381     13.74531088     -7.58785374
  H     10.68177864     11.04035171    -10.50117246
  O     17.78130494     11.32301945    -11.07676632
  H     13.67337136     10.57079954    -15.84660207
  H     11.83804942     12.05426070    -10.68193621
  O     13.05169680     15.63845705    -12.64482343
  H     13.22281208     12.05902637    -15.77731343
  H     18.13881447     15.57355916    -14.88992430
  O     14.61115087      9.27729334    -14.77655669
  H     17.75402326     11.66227108    -11.98575273
  H     16.82507232     14.80200047    -15.17628494
  O     19.25270059      9.14186041    -12.02470673
  H     16.99134102     10.77988876    -10.92684207
  H     14.51237025     10.34906015     -9.28272205
  O     18.42362933      8.50545477    -14.70731358
  H     14.01872621     15.72236562    -12.56210791
  H     13.03147691     10.79042547     -9.32360010
  O     15.01504241     12.44870405    -12.75262225
  H     12.70130799     16.52540140    -12.64534391
  H     15.49389184     11.85820884    -18.76953931
  O     15.60383999      9.62687172    -10.60485629
  H     14.17714219      9.50356026    -13.94084265
  H     14.76778650     11.74654072    -17.40564127
  O     16.87092806     10.63827872    -15.71218651
  H     15.03515535      8.42025061    -14.64424888
  H     17.04311761      7.45646035    -14.48807860
  O     15.55661528     14.35304216    -16.23534516
  H     20.12534172      9.07757535    -11.64350173
  H     16.25592983      6.14156574    -14.70812695
  O     13.55640044     10.18581707    -12.41646100
  H     18.83651888      9.92298883    -11.62809081
  H     16.36551115     15.55931227    -13.07810589
  O     11.62407792     11.10473533    -10.62869403
  H     18.05231873      9.28498705    -15.14161566
  H     16.01495815     15.13860589    -11.63878408
  O     17.50855123     14.97274425    -14.50180616
  H     18.78720330      8.79934409    -13.86291491
  H     17.45776314     11.75025432    -14.44642523
  O     13.83825108     10.84386248     -8.79685508
  H     15.87092584     12.33948797    -13.18699218
  H     17.70293292     13.21912616    -13.95236563
  O     15.60730285     11.99913411    -17.83384639
  H     15.20483456     12.92730179    -11.93684042
  H     13.04331073     13.80831966     -9.92188619
  O     16.20921487      6.99482762    -14.28464306
  H     14.88770759      9.73176725    -11.24564635
  H     12.60756852     14.36875576    -11.30611346
  O     15.75682337     15.73864389    -12.35235124
  H     16.03207219      8.78231085    -10.80542451
  H     17.81954089      7.86722357    -11.68150676
  O     17.61670367     12.30050804    -13.66612551
  H     16.59542721     11.08869252    -16.51906701
  H     16.63766227      7.19439431    -12.40418687
  O     12.41384796     13.69510276    -10.64401983
  H     16.08409040     10.18894247    -15.36812693
  H     16.85303179     12.95464003    -10.50099204
  O     16.96896840      7.43636452    -11.53091719
  H     14.74144453     14.18087553    -15.74531950
  H     15.66171242     13.61971929     -9.73262970
  O     16.21890192     13.68099292    -10.51980391
  H     15.64059772     13.63558894    -16.87418134
  H     13.94260888     13.15651371    -13.98363550
  O     13.36052192     13.60025867    -14.61994936
  H     14.03290343     11.02426458    -12.53434753
  H     13.01808707     14.35570280    -14.13018063
          69
 Energy    -248.63492141332620     
  O     16.73987295     10.15695441    -17.97216345
  H     17.14667566     11.00257833    -17.74518955
  H     18.42926871      5.84111675    -15.50362072
  O     17.00566874      5.87978123    -12.64206899
  H     15.78311171     10.27518390    -17.92518706
  H     18.74348826      8.37350966    -11.55455563
  O     16.19125238     12.47633067    -11.78512512
  H     17.14277678      5.74889117    -13.59681861
  H     18.47061259      6.97805945    -12.15398198
  O     21.24036275     10.38208698    -14.54628014
  H     16.91693097      5.00874220    -12.26277860
  H     20.68825016     10.73117171    -16.23071485
  O     16.20958960      5.91608814    -17.80615907
  H     16.35570525     12.60154708    -12.73289052
  H     20.34014998     10.03281295    -17.56112556
  O     13.96392538     10.69358222    -12.19058817
  H     16.21327065     13.34613517    -11.39222893
  H     17.47134496      9.17008122    -16.54409620
  O     15.52181644      8.20729241    -11.97580545
  H     20.36229258     10.59216617    -14.19588136
  H     18.41182044      8.12223858    -15.84651913
  O     16.59050797     12.48741710    -14.58834989
  H     21.41509846      9.48350486    -14.24518703
  H     13.24328912     10.95764440    -17.98283206
  O     21.29493870      7.65202208    -13.63677851
  H     15.43874931      6.48542016    -17.63581943
  H     13.98164061     10.68465106    -16.65262729
  O     15.23136635      8.21967219    -14.73151774
  H     15.88475938      5.15710636    -18.28486986
  H     17.19071507     10.79586038    -11.21172359
  O     19.84313206      6.96160210    -15.92865791
  H     14.30831832      9.81189044    -12.00267365
  H     18.04310084     10.12449117    -12.27962584
  O     17.55585901      5.48732431    -15.28581218
  H     14.64707413     11.31216276    -11.90287680
  H     13.96053847      8.46039249    -17.48750185
  O     19.17532196      7.60154592    -11.93774964
  H     15.92504279      7.33584115    -12.08549224
  H     14.40970143      7.68509229    -16.24404862
  O     20.23588524     10.85893534    -17.07799509
  H     16.24599857      8.80494666    -11.73855543
  H     17.95300631     11.35695414    -14.07384570
  O     17.71619388      8.77432265    -15.69857164
  H     17.06405763     12.59535689    -15.42345542
  H     18.32374404      9.92812137    -14.51322512
  O     13.96017824     10.45972014    -17.59838275
  H     15.81613298     11.93515359    -14.77240226
  H     19.58519260      8.09185895    -18.65581675
  O     17.63133069      9.96487525    -11.41383553
  H     22.03313056      7.23200518    -13.20310642
  H     21.08234794      8.08815024    -19.05131489
  O     14.15477466      7.57226784    -17.17325687
  H     20.56029992      7.65120880    -12.99735350
  H     14.70201397      9.90755413    -14.93049246
  O     18.55266044     10.62698865    -13.88174205
  H     16.15032078      8.29249386    -15.03120847
  H     14.01776073     10.91764546    -14.01230670
  O     20.48679053      8.26649862    -18.32857231
  H     15.24739696      8.17671857    -13.76789797
  H     18.28905557     13.23553596    -17.52892639
  O     14.36017185     10.81493777    -14.91101202
  H     20.42362321      7.18568028    -15.18911979
  H     18.87755653     11.90632409    -17.00703780
  O     18.07192441     12.45740871    -17.02166324
  H     20.21726485      7.34499143    -16.73199752
  H     17.38092037      7.15214159    -18.64450654
  O     17.91609236      7.85825852    -19.02694576
  H     17.03420710      5.58529899    -16.09043675
  H     17.45260082      8.68481632    -18.83392119
          69
 Energy    -248.63490119350081     
  O     -2.66174126      5.03635618      3.29516143
  H     -2.59167978      4.11927750      3.60432868
  H     -5.95504069     -1.17385669      2.92791967
  O     -2.47242331      2.32735913      3.91683242
  H     -3.53273510      5.33115273      3.55191674
  H     -3.38624957     -1.36808436      2.80212488
  O     -0.21095291     -1.21323194      4.36086618
  H     -1.90298876      2.01138148      4.62684163
  H     -2.24850102     -2.01882773      1.95959424
  O     -1.91018743     -2.74995512      0.36603799
  H     -2.12538209      1.92867586      3.10408411
  H      0.98625198      1.78885428      0.68029395
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  H     -1.03449554     -1.34122125      3.86631697
  H      1.33895299      0.42412716      1.34452078
  O     -4.16255780      0.52749829     -1.96638090
  H     -0.33345115     -0.42764080      4.90690559
  H     -4.72015201     -1.32819651      0.67568156
  O     -4.89499019      1.78931455      2.55272607
  H     -1.45018785     -3.55871726      0.62336163
  H     -3.57716557     -2.03671598     -0.08793520
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  H     -1.27555712     -2.20675583     -0.12428190
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  H      1.73507705     -3.39997484      3.12316547
  O     -0.03481237     -1.22518421     -1.00285283
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  H     -4.95237396      0.55316444     -2.50015179
  H     -0.37346083     -5.77165412      1.41043671
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  H     -4.26678484     -0.22112567     -1.35027469
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  H     -0.18968875      1.59942456      6.49450436
  O     -4.37195909     -1.49996167     -0.20715139
  H     -3.75986330      1.82523889     -0.63979619
  H      0.20197149      1.75677753      5.00543880
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  H     -2.85220435      1.78674969      0.61228490
  H      1.74607733      1.46651159      3.50504837
  O     -0.28992786     -4.83047325      1.28469418
  H      1.48267376      4.26713075      0.97736660
  H      1.15948109      2.80551755      3.01025883
  O      1.68598587     -3.26309711     -0.10395895
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  H      2.71202194     -2.85835992      1.24041717
  O     -0.44049786      1.34235514      5.61116844
  H      0.33368314     -0.48157973     -0.50515570
  H      4.06848477     -2.99906426      1.97380632
  O      1.33913904      2.29087080      3.80545207
  H     -0.52200686     -0.84444439     -1.74627796
  H      1.21115172     -0.63416216      3.36477647
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  H     -0.79421675      0.87024538      1.28590067
  H      2.51050836     -1.04480037      2.62062565
  O      1.96474679     -0.28744655      2.86487794
  H     -1.92658928      0.06150949      1.99813907
  H     -1.98404246      4.72273210      1.62275606
  O     -1.62450317      4.35744808      0.80166130
  H     -5.12498219      0.06761799      2.52205287
  H     -2.30886823      3.77784579      0.44610403
          69
 Energy    -248.63487029840638     
  O      4.15101140      1.29293392      6.44882756
  H      4.71206576      1.52690185      5.68761734
  H      3.20242308      3.01160065      6.41460455
  O      1.40327056      4.25942101      0.11638550
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  H      1.94842870     -0.26537845      1.96332915
  O     -1.40653788      3.88071049      0.50434440
  H      0.44775919      4.22364160      0.24153338
  H      2.42568879     -0.49120407      3.42267457
  O      0.04826330     -2.34158429      2.83522433
  H      1.61962146      3.58175017     -0.53916129
  H      2.53041385      3.98745418      1.41649098
  O     -1.65880777     -2.57707155      0.77892436
  H     -2.06989710      4.55788574      0.40092277
  H      3.51751338      2.87822828      1.94060210
  O      4.38330199      0.46341518     -0.96823144
  H     -1.56799123      3.21854783     -0.19297768
  H      3.03557933     -1.66130853      0.84083567
  O      0.33931767     -1.37983093     -0.74293014
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  H      2.17615498     -1.81110583     -0.42901364
  O      1.18298901      2.97693162      4.04173887
  H     -0.32688389     -1.68133733      3.43892828
  H      0.24708950      1.21167760      1.45901460
  O     -0.95794407      2.05234151      2.58807177
  H     -1.05685302     -2.57158322      1.54639429
  H      1.26844185      1.31746322      0.27133770
  O      5.54236170      2.10836176      4.25678407
  H     -2.21069105     -3.34904217      0.86482890
  H     -1.21162560      1.43752339     -1.85491127
  O      4.61329509      4.80439664      4.14179825
  H      3.96691426     -0.38458122     -0.72973052
  H     -2.12839776      1.21382970     -0.62464828
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  H      5.12611363      0.26005626     -1.53052424
  H      3.84339083      0.52594533      2.09354560
  O      2.55315594     -0.79448019      2.51198531
  H      0.45759289     -0.64368467     -0.12140741
  H      4.54410539      1.07000933      0.83325535
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  H     -0.36865534     -1.92218071     -0.37449107
  H      2.86770694      1.50851170     -1.30979750
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  H      1.54594935      3.34674286      4.85966981
  H      1.44859317      1.50890441     -1.95915147
  O      0.91726730      0.73491576      0.95613254
  H      1.79278652      3.23903147      3.33782955
  H     -2.30037142     -0.77067752      0.85061184
  O     -1.80931919      1.88456807     -1.24909766
  H     -1.21758509      2.73715101      1.95671842
  H     -2.17535952      0.58413917      1.58590273
  O      4.38865145      1.25359165      1.76718015
  H     -0.28805556      2.44937384      3.16758399
  H      0.03917272      0.05332648     -3.66000217
  O      2.01847993      1.96790999     -1.32863163
  H      5.38528206      3.06139526      4.23436885
  H      0.20196649     -0.32085345     -2.16633366
  O     -2.52285757      0.16644953      0.79309252
  H      5.29783549      1.77708098      3.38425752
  H     -0.96618197      0.55843405      3.90335095
  O      0.17615082      0.42347988     -2.79189459
  H      4.06243063      4.53138069      3.38717123
  H      0.13947876     -0.04905636      4.78442665
  O     -0.73556714     -0.22599656      4.41248507
  H      4.96665864      5.66374094      3.92772712
  H      1.72109752      1.31183183      4.57680812
  O      1.98434327      0.43916711      4.90415892
  H      3.41885873      4.27910375      5.57411663
  H      2.69345884      0.59510300      5.53940875
          69
 Energy    -248.63482814690207     
  O     10.53401603      9.09164591    -11.93685313
  H     11.08228475      9.56154031    -12.57976606
  H     15.14970242      4.67126731    -17.06651755
  O     14.08774699      6.02204334    -14.27744594
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  H     17.11604847      6.23832741    -16.40653509
  O     15.93067057     11.94293013    -12.71306298
  H     13.26602664      6.46584931    -14.52870308
  H     18.15492998      6.42244933    -15.28027963
  O     15.22749154     10.25931197    -17.22218958
  H     14.74382438      6.72996164    -14.15791784
  H     14.77193666     11.88287403    -14.34409448
  O     11.93274186      7.56833827    -15.06229476
  H     16.14125876     12.80422458    -12.36335051
  H     14.54878486     11.31959985    -15.76935391
  O     17.18765999      7.42414564     -9.99154364
  H     16.77646887     11.51625477    -12.94134800
  H     15.44727692      8.58965238    -13.24620318
  O     14.28314037      5.48208380    -11.56727354
  H     15.15261890     10.63531452    -18.09563953
  H     16.33186995      8.51792365    -14.53483875
  O     14.53851197      9.61367813    -12.13637390
  H     14.69343055      9.44500283    -17.22228800
  H     11.09927370      8.49207544     -8.88461332
  O     13.82833334      7.93704611    -17.16665876
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  H     11.25041302      8.60459533    -10.41922627
  O     17.02531023      4.84696058    -11.29903339
  H     12.09076443      8.44476848    -14.67801215
  H     19.88065878      8.63250813    -11.13494740
  O     17.41864756      9.35327452    -15.74670376
  H     16.26756502      7.67817186     -9.84669566
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  O     15.35397661      5.51361378    -16.66698962
  H     17.15962550      6.49982282    -10.26689750
  H     11.50886763      6.47693374    -10.47264411
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  H     12.43966103      5.48785497    -11.19731783
  O     14.11246954     11.77511575    -15.03906806
  H     14.17890959      5.59629737    -12.52333098
  H     18.04233169     10.21108409    -14.24590240
  O     15.87937893      7.98811489    -13.86653838
  H     15.01765853     10.45179386    -12.10157317
  H     18.50033524      9.89729406    -12.79713158
  O     11.63737815      8.20711894     -9.61831235
  H     14.56399479      9.15798860    -11.28663546
  H     18.63012947      7.06250322    -12.81847119
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  H     14.35422891      7.13019011    -17.13046768
  H     17.25003687      6.93418897    -13.47198352
  O     11.51182452      5.73185436    -11.08612157
  H     13.09009272      7.80772589    -16.55743785
  H     14.34844224      7.03743706    -10.56647333
  O     18.17071760     10.59997811    -13.36893420
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  H     13.48479623      8.02013605     -9.74416635
  O     18.06436184      6.43736741    -13.28940285
  H     17.51726190      4.04094306    -11.16464496
  H     13.09184778      9.77646768    -13.15794999
  O     14.39078314      7.84136419    -10.02698135
  H     16.75041507      9.69987957    -16.35159528
  H     12.80112732     10.69105984    -14.34625513
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  H     17.69320672      8.47760369    -16.05780089
  H     10.56110759      6.18281552    -12.49182354
  O     10.04697541      6.55826219    -13.22883137
  H     14.89826695      5.53401638    -15.80915273
  H      9.23626817      6.05899383    -13.27980650
          69
 Energy    -248.63473174544976     
  O     -0.68212285      0.59334833      0.33141805
  H     -1.63023538      0.62530221      0.14884931
  H     -2.32090618     -1.03055806      4.37939754
  O     -2.64418085      4.12564772      0.30050262
  H     -0.38772370     -0.31360075      0.18245385
  H     -2.81626871     -1.72797818      2.33190377
  O     -4.14066608      2.37111461      1.94527552
  H     -2.97374113      4.99258707      0.07380125
  H     -3.13064148     -2.44892308      0.98590215
  O      2.96882319      0.63229020      0.71028476
  H     -2.32843789      3.72882400     -0.52996713
  H     -4.25176075     -0.49540733      6.11924566
  O     -2.20802427     -3.22783803     -0.46828787
  H     -3.73404824      3.06116355      1.40605894
  H     -4.37058323     -0.22762989      4.59893913
  O      1.00946608      0.66907863     -3.07279209
  H     -3.66400358      2.37336102      2.78983430
  H     -3.48017555     -0.36484291      0.64541920
  O     -3.15124652     -1.09687681     -2.16196903
  H      2.47294113      1.42307988      0.45512844
  H     -3.74502139      1.15995016      0.67374186
  O     -1.66330127      3.11268157     -2.04305516
  H      2.86203429      0.01054379     -0.01856954
  H     -5.07137309      0.75700585      2.64850681
  O      1.16513843      2.62638700     -0.02135565
  H     -2.09689314     -4.15903866     -0.64205077
  H     -4.84669989     -0.76920387      2.52605289
  O      2.34407631     -1.07692915     -1.50649676
  H     -1.31717630     -2.85665538     -0.34254054
  H     -3.02271036      1.42809533      4.80565782
  O      0.20334468     -2.05497636     -0.00245312
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  H     -1.82277159      1.88842278      3.95744969
  O     -1.67145038     -1.23277183      3.69321974
  H      0.06914576      0.57834364     -3.27391720
  H     -1.09648888      4.06284009      1.43194112
  O     -3.49106565     -1.84676198      1.64818848
  H     -2.87561311     -1.90928275     -1.72418747
  H     -0.33951870      3.21285395      2.47270238
  O     -3.74213827     -0.28641687      5.34158816
  H     -3.40367387     -0.49202959     -1.44808266
  H      1.34859453     -1.50444615      2.93397332
  O     -3.43417839      0.44108778      0.10914731
  H     -0.76406644      3.36749549     -2.28193549
  H     -0.06592791     -2.08392857      3.12426373
  O     -5.24272123     -0.08711091      3.08402205
  H     -1.82596697      2.29213321     -2.52255749
  H      0.54703913      0.94891888      3.20663194
  O     -2.68589487      2.16922559      4.28770717
  H      0.51754451      1.90574039     -0.06820954
  H     -0.49923773      1.03716252      2.06098428
  O     -0.24935539      3.97297072      1.88879175
  H      0.82155047      3.24054000      0.64237510
  H      1.24681063      3.23913011     -1.64067910
  O      0.76796268     -2.22416315      2.65687942
  H      1.87512082     -0.45446732     -2.09201080
  H      1.73131996      4.19961634     -2.75432622
  O     -0.35875812      1.21686679      3.00378243
  H      2.99644875     -1.51932529     -2.04306256
  H     -2.24974909      0.00263997     -3.13247098
  O      1.14091356      3.47167714     -2.58127175
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  O     -1.76135529      0.69769168     -3.60669557
  H      0.98152697     -1.83422935     -0.52862418
  H      2.55528897      0.31788271      2.35571607
  O      2.22413263      0.16348362      3.25932584
  H     -1.24839626     -0.39281412      3.47121269
  H      2.95807680      0.30430435      3.85104203
          69
 Energy    -248.63456382145310     
  O     15.79713985     11.53120044    -10.96649768
  H     16.42213681     11.28270139    -11.66378004
  H     19.13907813      8.63679295    -10.52572728
  O     15.06319521      7.02668172    -15.00103315
  H     15.96351007     10.92312473    -10.23931985
  H     15.71550259      7.72268508    -13.46091991
  O     13.73223153      5.51455673    -10.95340254
  H     14.25132145      7.55201849    -15.01025520
  H     16.68398630      7.35927493    -12.29851429
  O     17.97291237      6.22923584    -11.69282811
  H     14.84083791      6.16757534    -14.61442328
  H     14.31809071     11.80263712    -11.83685593
  O     16.85862550     10.77902554    -15.70456080
  H     13.90561806      6.42370663    -10.67774207
  H     13.18586676     12.78576947    -12.21722174
  O     10.21263413      7.59673418    -12.25891936
  H     12.77685336      5.37964111    -10.91245265
  H     12.54867926      4.54096873    -13.98206925
  O     12.76916738      8.55792167    -14.70634138
  H     18.26697238      6.77058079    -10.95083947
  H     11.33483785      4.66427341    -13.03921020
  O     14.36885715      8.20020088    -10.50043126
  H     18.55830414      6.41998194    -12.43980968
  H     14.03145198     11.33552393    -14.14199816
  O     10.53817542      6.90573336    -15.03609706
  H     17.03627170     11.42526669    -16.38227939
  H     13.70389499     10.13576229    -15.05107154
  O     19.47395286      7.09174073    -13.91109485
  H     15.90656160     10.83775948    -15.50358838
  H     15.42441650      4.37933017    -11.17854980
  O     17.59782831      8.00719006    -15.64450983
  H     10.17570562      7.45686658    -13.21306021
  H     16.86671547      4.68292397    -11.61117371
  O     18.75929310      8.20365906     -9.73871877
  H     10.86809142      8.29294640    -12.11486851
  H     14.02790803      5.19075617    -12.74801319
  O     16.06263175      8.02941883    -12.61337470
  H     11.99012923      8.04475670    -14.95353922
  H     15.11736322      4.26678544    -13.22711244
  O     13.51860283     11.90763067    -12.38292608
  H     12.66001430      8.78860690    -13.77262731
  H     10.63904393      6.07424057    -11.51960329
  O     11.58832485      4.64582977    -13.97050667
  H     14.91267620      8.60921052     -9.81972651
  H     10.25646562      4.83873442    -10.66923486
  O     14.26109778     10.92190025    -14.98250680
  H     14.93120305      8.16974024    -11.29280780
  H     18.97211384      9.81716115    -12.36684222
  O     16.18936569      3.99443230    -11.62473400
  H     10.90948396      6.05815059    -14.73030721
  H     19.77317578      8.55235580    -12.71206577
  O     14.37006522      4.78054620    -13.55769261
  H      9.91573088      6.70079709    -15.72808367
  H     12.65020615     10.28583019    -12.13163816
  O     10.94655024      5.20040909    -11.21851922
  H     20.13000091      6.62604032    -14.42283729
  H     13.00552725      8.95725921    -11.42202833
  O     19.68085320      9.24219621    -12.04330764
  H     18.81278386      7.42349046    -14.54506747
  H     16.46704930      9.70129759     -8.04220283
  O     12.38546532      9.36154670    -12.04489375
  H     17.41478076      8.94768173    -15.75397880
  H     17.19921502      9.03975620     -9.22755697
  O     16.38018688      9.49025594     -8.96926778
  H     16.73286834      7.58018731    -15.57108510
  H     16.90363916      9.61345771    -12.86352531
  O     17.37229574     10.45614357    -12.97118731
  H     19.48911687      8.00358055     -9.15753073
  H     17.29576112     10.69105296    -13.90339071
          69
 Energy    -248.63418987368047     
  O     -1.55658294      4.62842126      2.36753362
  H     -1.07078028      4.07541826      2.99393067
  H      0.07011450      1.34271841      0.92871681
  O     -2.94085220      5.65519177     -0.95906461
  H     -2.13596376      4.05125242      1.84892234
  H     -0.10483542      3.87504854     -2.45580370
  O      4.49537870      6.67600488      0.75494211
  H     -2.06496591      5.64439921     -1.37410850
  H     -0.21249621      2.43576138     -1.87147519
  O      1.97623237      7.04236525      1.95033055
  H     -2.87809444      6.27720911     -0.22466124
  H      0.73180075      8.13318654     -1.22567214
  O     -0.34141831      5.52680711     -1.84868589
  H      5.27011817      7.21355065      0.61524330
  H      1.05468097      8.69694961     -2.63171792
  O      2.59035772      3.01053818      0.28419516
  H      4.12756458      6.47848412     -0.12489266
  H     -2.95812324     -0.72321578     -2.55944736
  O      0.64142516      4.96664844      0.63604207
  H      1.96704211      6.46409834      2.72967698
  H     -2.77575340      0.78843638     -2.85624256
  O     -2.29792030      7.11424543      1.39947082
  H      2.87588256      7.02940968      1.59940081
  H      1.44674861      4.36604237      3.89849562
  O     -1.12157084      1.52024737     -0.51887115
  H      0.02402705      5.33255270     -0.96953402
  H      2.87216618      4.71548699      3.41252786
  O     -3.04816789      3.28196424      0.47879410
  H      0.07270039      6.34914551     -2.13513604
  H     -4.60981911      3.25020027     -2.19627258
  O      0.12050281      8.36181005      0.38191959
  H      2.81740351      3.04652556     -0.65063878
  H     -3.88567770      4.60685596     -2.25967803
  O      0.71396638      1.46280807      1.63746513
  H      1.91102284      3.69048255      0.41685788
  H     -2.95137446      2.79643291     -3.63265152
  O      0.11056345      2.94500864     -2.62779297
  H      1.13967014      5.69543514      1.03137455
  H     -1.44607462      2.42023686     -3.63464905
  O      1.06772348      7.89905107     -2.11074868
  H     -0.08869846      4.77332139      1.23576768
  H      0.07424129      2.39332553      4.59780524
  O     -3.02081968      0.14246871     -2.16621040
  H     -2.80871161      7.61080119      2.03497004
  H      0.33246173      2.36564817      3.07282095
  O      2.08405029      5.08436168      3.84186447
  H     -2.01581614      6.30001436      1.84845818
  H      1.87777164      3.22289899     -2.63884287
  O     -4.19457319      3.87204118     -2.80436077
  H     -1.67103166      0.89623177     -1.00666631
  H      3.29924162      3.02998845     -3.21203999
  O     -2.32422082      2.09551630     -3.86657967
  H     -1.73081601      2.16840269     -0.13722679
  H      4.45384624      5.03661813      1.78815815
  O      0.09458641      2.94413758      3.81983197
  H     -3.78775250      2.74936674      0.16259182
  H      3.76136817      3.68417088      1.58905132
  O      2.81091029      3.46452033     -2.51707447
  H     -3.03983437      4.09019357     -0.05619758
  H     -5.77318472      1.30455602     -0.81276923
  O      4.20556725      4.22836618      2.25298254
  H      0.78348772      8.04131769      1.01177545
  H     -4.33482029      1.10110978     -1.34125177
  O     -4.93072065      1.73977591     -0.91726399
  H     -0.72186318      8.00591205      0.68444939
  H      3.11572607      5.29588566     -1.98317098
  O      3.31200713      6.17098283     -1.62978606
  H      1.49131675      1.84702555      1.20881681
  H      2.57518979      6.74802982     -1.86356657
          69
 Energy    -248.63396855422366     
  O      1.56216847      1.68044724      2.95777946
  H      0.89892267      2.03645715      3.56012506
  H     -1.87784746     -2.71793459      4.42669334
  O      1.10028985      2.81482843      0.35094042
  H      1.40914593      2.08724721      2.09598078
  H     -5.22537988      0.73888605      3.95055324
  O     -0.74312747     -1.28069463      4.92597229
  H      0.13790420      2.88204749      0.21167302
  H     -4.16117404     -0.16020358      3.28573272
  O      0.09749059     -3.80108864     -2.62566387
  H      1.47317766      3.65335003      0.09089620
  H     -2.44633202     -1.21984457     -0.53444301
  O     -2.09748858     -0.55394608     -4.01491675
  H     -0.80936037     -0.89559541      4.04092519
  H     -1.94981458     -2.60924876     -0.03645787
  O      0.61859562     -1.25150233     -3.38774445
  H      0.06793980     -1.80787654      4.92809659
  H     -1.79009203     -3.41643236     -2.87762547
  O     -2.32589185      2.27774483      2.57349370
  H      0.58972783     -4.41432724     -3.16472847
  H     -2.88593447     -2.77866222     -2.00636717
  O     -1.80873183      0.31084318     -1.34985950
  H      0.35630178     -2.90600005     -2.91069203
  H     -1.43873875      0.62583671      2.31433999
  O      1.00070253      0.40154389     -1.14171554
  H     -2.61592849     -0.34403934     -4.78648873
  H     -2.01051918     -0.80751602      2.23154823
  O     -3.70129705     -1.59254582      2.33551250
  H     -2.37770769     -1.43785467     -3.71616864
  H     -0.11844758     -3.69490577     -0.79949051
  O     -0.04100254     -4.59073256      2.64090382
  H     -0.21970405     -0.92122688     -3.73430842
  H      0.24002060     -2.74257520      0.38538395
  O     -2.33492757     -3.36760489      3.87532110
  H      0.88827765     -0.63096110     -2.69743504
  H      1.07529494     -3.41478251      3.75986551
  O     -4.28724711      0.65628511      3.79870805
  H     -3.08070821      1.83806220      2.98603217
  H      2.00193624     -2.17731005      3.92189099
  O     -2.74284467     -2.08547135     -0.21601025
  H     -1.74535290      2.58606867      3.28181948
  H      1.75227487     -1.18820638      1.61194690
  O     -2.65209034     -2.98418294     -2.92121248
  H     -0.84414310      0.32873524     -1.27091753
  H      0.23342777     -0.90562274      1.46128217
  O     -1.18797757     -0.30495221      2.29534467
  H     -1.99973851      0.15600446     -2.28375505
  H     -0.35103651      3.47665523      5.24966459
  O     -0.31025100     -3.49905798      0.12599089
  H      1.09668137     -0.23822064     -0.42025636
  H     -1.05164830      2.10208272      5.14525490
  O      1.46951874     -2.81870021      4.40850437
  H      1.15823998      1.26747194     -0.74792308
  H     -1.65596273      0.08419672      5.66555764
  O      1.00442937     -1.28878927      1.01132703
  H     -3.34240147     -2.31533973      2.87594367
  H     -2.95622286      0.79894032      5.24720567
  O     -0.50874002      2.74699740      4.65629930
  H     -3.57807123     -1.82692442      1.40600674
  H      3.77601815     -0.55239218      3.09820923
  O     -2.15431539      0.90957679      5.77018350
  H     -0.15377437     -4.29600793      1.72296745
  H      2.40103422      0.15436596      3.05354086
  O      2.84188692     -0.71313432      2.99596402
  H      0.11597035     -5.53179107      2.60822166
  H     -1.95500326      2.70525072      0.85678406
  O     -1.57251327      2.79799435     -0.02757240
  H     -1.63202069     -3.89140271      3.47393670
  H     -1.82768907      2.00631062     -0.51811320
          69
 Energy    -248.63360863678776     
  O     15.01519902     13.17631841    -10.41193841
  H     14.39354714     12.60200550     -9.94717177
  H     12.23586836     11.19674235    -14.46757728
  O     13.65438211     12.97778417    -17.20923452
  H     15.89683574     12.81666645    -10.24355856
  H     12.59345021     15.88682337    -16.74824244
  O     15.26432187      8.98917008    -12.00175875
  H     13.28913461     12.14922176    -16.87321709
  H     13.08357948     14.43717288    -16.51934407
  O     16.48874667     15.20269197    -11.92729592
  H     14.59564805     12.82098208    -17.35149098
  H     10.53292767     14.77039102    -13.75879217
  O     12.96687454     10.53553155    -15.97520236
  H     15.25353799      8.13412717    -12.44848433
  H     11.57745450     14.52261557    -14.85649355
  O     14.92199852      6.57632104    -13.35790055
  H     15.74749284      9.61863612    -12.55568033
  H     12.63309303     11.14975989     -8.63928071
  O     14.83717547      7.40826355    -15.92715199
  H     15.97755133     15.38409804    -12.72770566
  H     12.98015469     10.69062101    -10.07246237
  O     14.36734437     12.72627218    -13.06769654
  H     15.88334619     14.76374709    -11.31881128
  H     17.00956457     12.54622794    -18.18543814
  O     12.63092819      9.81317569    -11.59462291
  H     12.53801217      9.67635842    -16.07585852
  H     16.82654876     12.87753679    -16.68548953
  O     15.72355267     10.06787438    -16.03139998
  H     13.91979946     10.36679649    -15.95385416
  H     11.98462541      7.76696327    -14.98951679
  O     17.36937048     13.79034328    -15.31783130
  H     15.31219339      5.71032305    -13.27969399
  H     11.26331256      7.44053872    -16.31953798
  O     11.92991902     11.55999061    -13.62347469
  H     14.96291537      6.82283050    -14.29956680
  H     15.05010698     10.26528273     -9.20958490
  O     12.77727501     15.24567530    -16.06700936
  H     15.24206934      8.27651272    -16.06085966
  H     15.75297350      9.44858424    -10.30179372
  O     10.99015771     14.07659392    -14.22842709
  H     13.89495769      7.51750586    -16.10447121
  H     17.07772769     11.16345029     -9.75612381
  O     13.31723303     11.18020990     -9.30314564
  H     14.52373811     12.88281636    -12.12577187
  H     18.12570699     12.14990580     -9.19378785
  O     16.44643634     12.38240006    -17.43382703
  H     13.47949179     12.36949083    -13.18874509
  H     17.14254505     11.53381993    -13.26874232
  O     12.00053836      7.91962580    -15.95144087
  H     12.32149401     10.41530362    -12.28764798
  H     15.62684265     11.55746622    -13.44634214
  O     15.90619747      9.89789938     -9.45780962
  H     13.54622881      9.56251845    -11.79494499
  H     13.06776630      7.07722381    -13.18489777
  O     17.58149604     11.97153208     -9.95706310
  H     16.05058133     10.31971923    -15.15549813
  H     12.17581732      8.20278862    -12.62069704
  O     16.39974494     10.97585546    -13.52604782
  H     16.02249909     10.75898760    -16.63518315
  H     17.61348777     13.83428062    -12.40400108
  O     12.19943596      7.49124922    -13.27067046
  H     17.80064297     13.50979841    -14.50431158
  H     18.11732943     12.56998320    -11.71380323
  O     18.07856264     13.00050602    -12.57680033
  H     16.61673887     14.33459854    -15.04504509
  H     14.32125075     15.29861053    -14.93289517
  O     15.05197952     15.05358246    -14.35693862
  H     11.47697475     12.39425503    -13.81188638
  H     14.78740720     14.21849259    -13.93738818
          69
 Energy    -248.63344321260087     
  O     15.30530279      5.78031324     -8.52034921
  H     14.33855776      5.79748758     -8.63919623
  H     12.17420172      6.98343321    -14.75449238
  O     12.75486501      5.67012853    -15.86857860
  H     15.46170931      5.57449349     -7.60183941
  H     16.94635817      8.63428678    -12.90851398
  O     16.45301165      6.32496853    -15.38409031
  H     13.29220814      4.96326694    -15.48907334
  H     15.99711846      9.37985500    -13.91082767
  O     15.00194014     10.86968099    -14.35993055
  H     13.31471188      6.06333366    -16.54851984
  H     13.96337941      8.03742904    -11.65130496
  O     10.55097909      7.07792731    -11.81460719
  H     16.44969908      7.10394465    -14.80939869
  H     14.97484460      7.74931458    -12.80027465
  O     16.10317733      4.29249939    -10.78758035
  H     15.96171643      6.55798702    -16.18234303
  H     12.17141701      5.29213767     -9.52494499
  O     11.36784340      4.45993296    -11.04862110
  H     15.18937031     11.80012601    -14.44731763
  H     12.14094285      6.70965980     -8.93935727
  O     17.89724801      8.52398770    -11.34189995
  H     14.18639808     10.79455621    -13.83118804
  H     17.83399112      5.33978541    -14.81159441
  O     12.72661188     10.42512579    -12.97212313
  H     10.92752779      7.27407638    -12.67969438
  H     19.23048814      4.70058394    -14.98521568
  O     16.76880497      2.82266991    -13.21067474
  H     10.72715492      6.14387327    -11.64002630
  H     13.90791936      5.70282315    -12.21347540
  O     13.63933906      9.13383260    -16.17165710
  H     15.93343460      4.71207663     -9.93488858
  H     14.04671989      4.44804749    -13.11891557
  O     12.11346030      7.73852860    -14.14890095
  H     15.27562486      4.38465791    -11.28060849
  H     14.37003205      7.86206016    -17.08250742
  O     16.37049908      8.51994698    -13.67674340
  H     11.00110152      3.58641636    -11.15468638
  H     14.72639766      7.17371122    -18.42354808
  O     14.18945673      7.41230603    -12.35191189
  H     12.22381350      4.46641059    -11.51366639
  H     15.34286674      4.87687352    -14.92669554
  O     12.61868079      5.87253570     -8.89757795
  H     18.04922088      7.56654742    -11.45781442
  H     15.42792958      3.48213639    -14.27140593
  O     18.51271859      4.80559518    -14.36601961
  H     18.73151515      8.90825998    -11.08648517
  H     17.47840507      5.33975794    -11.40677353
  O     13.76312786      4.74387798    -12.24409926
  H     12.95956839     10.17014202    -12.06625218
  H     18.40485161      5.53941269    -12.62883196
  O     14.74214899      7.05256228    -17.47824578
  H     12.23545688      9.68624272    -13.34352231
  H     10.87739439      7.88835223    -10.30995033
  O     14.81493391      4.09979631    -14.69677622
  H     16.65295340      3.12444406    -12.30146600
  H     10.38732031      8.63427493     -9.04403723
  O     18.17549856      5.90472928    -11.76687238
  H     17.47778215      3.36589136    -13.57803692
  H     15.69668981      7.56095521     -9.10156745
  O     11.16042811      8.25369304     -9.45151671
  H     14.13531172      9.80267880    -15.68610108
  H     16.51561594      8.50285631    -10.01742072
  O     15.77903536      8.47650968     -9.39528917
  H     13.02765787      8.74299263    -15.53521252
  H     12.70882885      9.06869334    -10.02551056
  O     13.47773501      9.38932298    -10.51354248
  H     12.85298817      7.63817171    -13.52946231
  H     14.27624464      9.17800889    -10.00558506
          69
 Energy    -248.63334912622798     
  O     15.59496474      8.33732515    -13.02461591
  H     16.24630766      8.56677712    -12.34819633
  H     16.37775023     10.38491276    -17.28393039
  O     16.30418178     11.91996812    -11.24114391
  H     15.41364326      9.14851100    -13.52211410
  H     15.75009715     11.27998961    -14.74004372
  O     16.71049140     12.76108284    -15.18031168
  H     15.45708645     12.00182037    -11.70043300
  H     14.89151584     10.17870213    -15.40143165
  O     13.38721943      6.26086002    -15.61552820
  H     16.98187112     12.32908993    -11.79200224
  H     11.53332422      9.43684937    -13.13387935
  O     12.76401804     10.52991625     -8.69440036
  H     15.99274900     13.36689966    -14.94431837
  H     11.40486998      7.99648656    -13.66551630
  O     13.48351757      7.47869764    -11.50800146
  H     17.36995830     12.82404194    -14.47708584
  H     17.01415988      8.18659878     -7.78515346
  O     13.85049577     11.98446110    -12.60674527
  H     14.33764597      6.42521716    -15.64612734
  H     15.70552620      8.31067341     -8.60205193
  O     16.06445964      7.25818491    -15.52182105
  H     12.96810820      7.00973740    -16.05816219
  H     12.44692180      6.09469087    -14.15133522
  O     14.02366918      7.93182471     -8.81921887
  H     13.67875882     10.86404855     -8.67128416
  H     11.32991082      5.36925482    -13.36302811
  O     18.49427509      8.70440718    -15.82924976
  H     12.30207570     10.94703599     -7.97224702
  H     18.70708923     11.74198739    -13.12381259
  O     18.98051260     10.05121174    -13.31996634
  H     12.92132768      6.90765932    -12.04457105
  H     19.21999523     13.15863763    -12.75938929
  O     17.25419166     10.75838297    -17.12212312
  H     14.24338887      7.72218254    -12.05767496
  H     16.96762494     10.21724113    -11.16385111
  O     15.10973365     10.58042555    -14.55186924
  H     14.19559418     11.46755202    -13.35260019
  H     17.20821063      8.99486952    -10.24559290
  O     11.35795717      8.92430125    -13.93074806
  H     13.23681936     11.39891809    -12.14641048
  H     15.73887701     11.62348172     -9.48795841
  O     16.61648295      8.64682045     -8.51896125
  H     15.89285907      7.49513369    -14.59736271
  H     15.89445204     10.44820387     -8.50397412
  O     11.87780870      6.14918219    -13.36288437
  H     16.95606095      7.58415003    -15.69676788
  H     13.84433475      9.15141425    -16.97306463
  O     18.43343810     12.66677974    -12.97889679
  H     13.82578503      7.64229276     -9.72138248
  H     15.21703578      8.52740022    -16.59726123
  O     17.33535372      9.32067432    -11.14462285
  H     13.48883065      8.72111821     -8.67378972
  H     12.29436600     10.25893419    -10.48571101
  O     15.38740436     11.25273286     -8.66763673
  H     18.11114040      9.45959341    -16.31020713
  H     12.71078796      9.14490818    -11.46034999
  O     14.79772112      9.30614644    -16.99250035
  H     19.28351937      8.45324893    -16.30333965
  H     13.86694605     14.82250150    -14.32324143
  O     12.28556483     10.01397712    -11.41976484
  H     18.79387895      9.52633708    -14.10647221
  H     14.18742118     13.53460020    -13.54881941
  O     14.56119429     14.18917951    -14.15920783
  H     18.53644929      9.62719105    -12.57367806
  H     11.84738574      8.87164558    -15.61494367
  O     12.11952602      8.68283934    -16.53049155
  H     17.12024181     11.55870667    -16.59747280
  H     11.33711276      8.76536104    -17.06952366
          69
 Energy    -248.63310735423238     
  O     -1.45643135      1.06841428      3.80093177
  H     -1.89869578      0.65992472      4.54076523
  H     -2.45859700      4.27691516     -2.38599411
  O     -4.01724884      1.33129573     -2.30103171
  H     -1.72767639      2.00494029      3.79142408
  H      1.39838127      3.68415410      4.50286239
  O     -2.99450546      3.43865044     -3.96115111
  H     -3.97418057      1.70561274     -1.41188554
  H      1.56247355      4.91895710      5.40738697
  O     -4.26206158      4.60617213      2.01536910
  H     -3.83018578      2.06425213     -2.90104816
  H      1.11017400      2.27853232      1.33390230
  O     -0.21714876     -0.17281796     -1.16521790
  H     -3.31961132      3.81317985     -4.77531297
  H     -0.39543931      2.06564476      1.00746085
  O      1.18246528      1.61154777     -2.81905692
  H     -2.27640526      2.82518917     -4.20069659
  H     -2.94474117      3.29211488     -0.44296945
  O      1.27747554      1.92815225      4.31016940
  H     -5.04507117      5.11754143      2.19805579
  H     -3.87486679      3.22401528      0.78680412
  O     -2.27068771     -0.61417335     -3.04044202
  H     -3.61504025      5.21318161      1.60889562
  H     -1.42629076      4.25318099      3.29733261
  O      2.62525982      1.45571446      1.90057581
  H     -0.71154839      0.09361968     -0.37726686
  H     -2.93365786      3.96954636      3.17581956
  O      2.40450313     -0.41799561     -0.08585539
  H     -0.87645679     -0.45863869     -1.81008856
  H     -2.36715606      1.38425775      0.75253697
  O     -2.29655986      6.04544179      0.85196578
  H      2.11545582      1.57478355     -2.57828687
  H     -1.64849153      0.73567250      1.98564212
  O     -2.11135854      4.51598903     -1.51806146
  H      0.71351283      1.01413480     -2.21612384
  H      0.10512229      4.28116079      1.80502046
  O      1.42794520      4.65645518      4.50104028
  H      0.40510767      1.55018304      4.15369761
  H      0.55309755      5.11492737      3.04344190
  O      0.31867038      2.71349737      0.99185464
  H      1.82784964      1.65994855      3.56143438
  H      1.71472433      5.04290427     -0.48141134
  O     -3.45025898      2.68033742      0.11331742
  H     -2.73791965     -1.39014281     -3.33779303
  H      1.62798666      5.51056190      0.97950090
  O     -2.12790939      3.67888270      3.62099393
  H     -2.94417300      0.02012671     -2.73485090
  H      0.49357777      3.49254365     -0.57813284
  O     -1.65667412      0.78239108      1.02051643
  H      2.56795609      0.69126892      1.30651494
  H      0.79766603      3.23579000     -2.06650532
  O      0.03440012      5.15360830      2.22450631
  H      3.24002644      2.08213007      1.50186416
  H     -0.21619747      1.64883204     -4.05659669
  O      2.25261042      5.34194339      0.26646567
  H      1.51293347     -0.48881432     -0.45197694
  H     -1.46148682      0.75073162     -4.13073321
  O      0.57054263      3.93388526     -1.44034882
  H      2.91941088      0.08298202     -0.72922647
  H      4.93384043      3.73565179      0.71493654
  O     -1.08770833      1.57492376     -4.46722098
  H     -1.45333551      5.89012023      1.29729456
  H      3.47681791      4.09575532      0.35572469
  O      4.12040693      3.36581744      0.38026108
  H     -2.21836655      5.67017292     -0.03562591
  H      4.63841720      1.42502825     -2.16937583
  O      3.79471540      1.53182829     -1.73549393
  H     -1.15408204      4.37449640     -1.55419394
  H      3.92152899      2.19727299     -1.04185943
          69
 Energy    -248.63287644608894     
  O     12.73060063      9.32291178    -10.10753729
  H     11.97120005      9.43165587     -9.54217224
  H     16.72766680     11.20544090    -15.17771136
  O     15.90312972      4.47030493    -12.49448459
  H     13.09071879      8.43296844     -9.93388377
  H     14.85990634      8.43766188    -12.74779645
  O     14.97518255     12.27989273    -12.51091697
  H     16.76426369      4.83524165    -12.27100180
  H     15.96153208      7.73115557    -11.91081930
  O     17.56585641     12.14524119    -13.80098905
  H     15.72645604      4.70557439    -13.41867955
  H     13.59667825      6.12980351    -10.33203000
  O     12.34700992      7.26344581    -16.36909059
  H     14.38461800     11.94755544    -13.19805970
  H     14.80091977      6.93995479     -9.81265207
  O     16.57039209      7.19586610    -10.20891459
  H     15.83335672     12.38883962    -12.93635065
  H     18.70092107      6.34928328    -12.35877678
  O     12.63660496      6.31459019    -13.74983575
  H     17.78805642     11.38917440    -13.23006081
  H     19.16061426      5.13624962    -11.51946679
  O     13.62951661     10.90647663    -14.61658840
  H     18.31355869     12.73659796    -13.78377063
  H     13.06126428      3.83841438    -11.30548181
  O     14.73803862      9.49251016    -17.82103347
  H     12.30151601      6.86831185    -15.48739344
  H     14.31107914      4.58733989    -11.82259296
  O     14.96767559      5.27130236    -14.95778849
  H     13.19060144      6.98762835    -16.74091549
  H     17.13624365      9.41162930    -12.48558033
  O     16.92703426      7.94363804    -15.24278575
  H     16.96110936      8.02039104     -9.89154469
  H     17.94140161      9.96544495    -11.29368418
  O     16.20181793     10.58975466    -15.70142493
  H     17.27494840      6.64934988    -10.58028928
  H     18.52886964      7.65127884    -14.25013260
  O     15.79242862      8.18964344    -12.74267764
  H     12.74809747      7.21735508    -13.41440503
  H     18.93871564      8.47886962    -13.03036369
  O     13.83510416      6.89196875     -9.79091074
  H     12.74085373      5.72692019    -12.99194491
  H     16.59488133     10.20980777     -9.68070710
  O     18.40950456      5.69537984    -11.70034120
  H     14.51823403     10.78309572    -14.98059502
  H     17.78984918     10.14967158     -8.69400892
  O     13.38619991      4.70452220    -11.53686620
  H     13.01499918     10.70075591    -15.33205477
  H     15.01592464      7.80160623    -17.56280462
  O     17.92805507      9.92339675    -12.25784619
  H     13.83079685      9.74424910    -17.60910837
  H     15.39482235      6.42956401    -18.16369238
  O     19.11373096      7.64250758    -13.48079593
  H     15.30240510     10.00943179    -17.22976794
  H     14.27491391     10.40697375    -10.04347337
  O     17.45828921      9.78486757     -9.50900097
  H     15.03855839      5.66181977    -15.83265910
  H     15.04803623     11.42244142    -10.92120519
  O     15.13536026      6.85779206    -17.35120088
  H     14.16397482      5.64676134    -14.57016249
  H     11.27896312     10.14682292    -17.19712637
  O     15.10702076     10.88712594    -10.11632263
  H     16.45791043      7.86748439    -14.39532854
  H     12.10366611      8.97890786    -16.60420890
  O     12.10825652      9.93792191    -16.77605751
  H     16.42956121      7.43125363    -15.88507842
  H     13.20612442      9.63899449    -13.40225032
  O     13.10233728      8.86283072    -12.83538590
  H     16.55095685      9.70189961    -15.53455851
  H     12.88285528      9.14691577    -11.93928428
          69
 Energy    -248.63287185987417     
  O     12.86359932     12.08090814    -15.21694761
  H     12.20821105     11.86315593    -14.53452823
  H     18.14525842      8.46519618    -13.28997932
  O     14.89045897      7.57616489    -13.72721389
  H     13.47546849     12.73079435    -14.85061483
  H     14.02222494     10.72290321    -14.56238671
  O     17.12270170     10.50843598    -10.91932445
  H     15.62680312      7.52673697    -13.10557767
  H     14.93731936     10.70994305    -13.33246452
  O     17.17395193     12.42073998    -14.51613533
  H     14.80085027      8.51989163    -13.95302531
  H     11.60023439     11.11043163    -12.39862961
  O     11.79020172      8.22138272    -16.22862411
  H     17.88489362     10.87243285    -11.38379070
  H     10.83735299     10.34218096    -13.48797953
  O     13.43582155      9.72889632     -8.38557413
  H     16.35793007     11.04122475    -11.18693924
  H     16.28870388      5.79956278     -9.07610500
  O     12.61579319      7.90622646    -12.12584676
  H     17.84515803     12.22248239    -13.85313272
  H     15.13797122      6.70887218     -9.56855734
  O     14.94572230     11.87118034    -11.80409044
  H     17.14254236     11.64615827    -15.09257205
  H     10.93246792      8.39007498    -14.74686544
  O     13.43918065      7.10665546     -9.57936062
  H     12.05933060      9.01471820    -16.70746966
  H      9.62604301      8.13230060    -13.95796410
  O     17.43775925     10.09269594    -16.16415634
  H     12.54487143      7.62022120    -16.25702502
  H     19.08054456     10.53374187    -13.10359725
  O     14.17797088      6.68892719    -16.18268712
  H     13.21163364     10.01194507     -7.50341130
  H     20.06612598     11.59854587    -12.56344179
  O     18.70271428      9.01292130    -13.85632591
  H     14.40693654      9.65650270     -8.41857978
  H     16.75874525      7.33273225    -11.13370304
  O     14.67835540     10.19001843    -14.10169636
  H     13.37822190      7.73213617    -12.69420222
  H     16.97280371      8.79213083    -11.58720548
  O     11.17062274     11.21829501    -13.25686189
  H     11.84772056      8.01989559    -12.69911350
  H     16.23398865      8.39876187     -8.79967355
  O     16.10703983      6.61042161     -9.54302367
  H     14.78027795     12.60506755    -12.40630923
  H     16.55111329      9.81858329     -9.30752064
  O     10.50101513      8.50295700    -13.88070214
  H     14.09995790     11.48969786    -11.52656565
  H     14.91324206      8.21092301    -17.05782278
  O     19.13888197     11.40516451    -12.66954173
  H     13.31035048      7.92534018     -9.08543914
  H     14.43211562      9.61712632    -17.46748278
  O     16.95296841      7.87782721    -11.90612918
  H     13.07006717      7.26968202    -10.45848997
  H     12.86407165     10.32631631    -10.05279972
  O     16.11333344      9.33357514     -8.59426142
  H     18.04352784     10.18847787    -16.89579584
  H     12.72711650      9.60918748    -11.41539683
  O     15.22070693      9.06944658    -17.37274205
  H     16.61704591      9.73423099    -16.54077391
  H     15.68950065     13.26230497    -14.21421038
  O     12.70695657     10.48020684    -10.99274090
  H     14.46765132      6.91259128    -15.28030250
  H     14.98843676     14.62608102    -13.99736283
  O     14.84050309     13.68447462    -13.98402353
  H     14.39033870      5.77023455    -16.32237206
  H     12.79766573     11.18400692    -16.71024547
  O     12.79196410     10.57699943    -17.47070458
  H     18.18484633      9.24100175    -14.63981364
  H     12.42817258     11.06186364    -18.20690439
          69
 Energy    -248.63226993999956     
  O     13.63451656     13.34444110    -13.75622643
  H     14.36661858     12.70841369    -13.79119458
  H     14.09143647     10.51727478    -14.50573310
  O     15.67800790      9.44220222    -17.88338493
  H     13.16729932     13.25209682    -14.59325327
  H     15.86101963     12.65082163    -16.90955686
  O     15.43669983      8.62445220    -11.75443293
  H     15.61283727      9.07709632    -18.76298221
  H     15.37225211     11.28563235    -17.47776436
  O     17.57187897     14.84872013    -13.70278217
  H     15.13223297      8.87929755    -17.30894899
  H     13.49130318     12.45335672    -16.68285107
  O     14.29348479      7.96937669    -16.01643732
  H     15.91034946      9.39503247    -11.41492209
  H     12.01508577     12.85097104    -16.93925464
  O     14.56178127      6.01228502    -11.24174204
  H     14.52051429      8.90259911    -11.89484301
  H     18.31180221     13.28694963    -12.69680432
  O     15.58461947      4.86845985    -13.47788234
  H     18.04629762     15.65047794    -13.49668445
  H     18.58818150     11.87948389    -13.21151862
  O     15.53137343     11.30660417    -13.79470842
  H     16.77614309     14.85021300    -13.14070637
  H     12.70931679     11.07377977    -11.57295781
  O     12.75726174      9.32129860    -12.25824543
  H     13.79858864      8.71724446    -15.64845872
  H     12.90322403     12.47238199    -12.21270643
  O     16.32391914      7.50126844    -14.17588322
  H     15.01422165      7.78908751    -15.39328075
  H     17.21658549      8.99639864    -16.80642911
  O     18.11734075     11.23019841    -14.87328657
  H     13.62687123      6.15736311    -11.43132360
  H     17.44693895      8.30557020    -15.44125686
  O     13.23892253     10.18957209    -14.83719950
  H     14.96692594      6.89145425    -11.24890926
  H     13.39724854      6.46371067    -15.24590020
  O     15.09496100     12.18494521    -17.26343762
  H     16.03084504      4.04140495    -13.31978558
  H     13.93249565      5.33386822    -14.34642063
  O     12.61233153     12.53526981    -16.26760435
  H     15.26037461      5.18574011    -12.61505018
  H     14.60897623     13.22328151     -9.02733850
  O     18.56695560     12.40741497    -12.39942439
  H     16.37723083     11.26249014    -14.25656114
  H     14.05830012     12.66461823    -10.36272856
  O     12.80903727     12.01209555    -11.36867615
  H     15.74087175     11.21843489    -12.85556924
  H     15.99388904     11.74845121    -10.63007804
  O     17.88110799      8.83255617    -16.12700469
  H     12.78929389      9.58429154    -13.18974725
  H     17.29171830     11.54504300    -11.47199049
  O     13.12086156      5.77478903    -14.62886880
  H     12.36992767      8.43763976    -12.22630483
  H     12.30004018      6.31838728    -13.17533832
  O     14.84911944     13.03755779     -9.93080550
  H     16.22483555      6.55769279    -13.99682645
  H     11.12292627      6.18181095    -12.18072957
  O     16.48578814     11.10776529    -11.15763690
  H     16.09399885      7.96260848    -13.35727838
  H     14.66286076     14.45763249    -12.72252020
  O     11.95433962      6.62764671    -12.31901989
  H     18.02179995     11.95275994    -15.50359521
  H     15.28021175     14.29913437    -11.32134701
  O     15.37285245     14.78254052    -12.15040946
  H     18.15360236     10.39262726    -15.35743368
  H     17.85302460     14.16499812    -16.80944008
  O     17.37213543     13.60601546    -16.20286411
  H     12.84428366     10.91486845    -15.33431838
  H     17.39422951     14.05265608    -15.34086993
          69
 Energy    -248.63223546789087     
  O     17.92992625      9.01407957    -10.94220212
  H     17.48456893      8.26256617    -10.52721861
  H     18.76123740      9.69851556     -9.53927819
  O     13.96623877     10.35956432    -11.41258097
  H     17.29204849      9.51308819    -11.46532085
  H     20.27960332      9.58161087    -12.92380045
  O     19.03488357      3.26797575    -11.12802944
  H     14.44363423     10.56537770    -10.58705491
  H     19.23321423      8.80759570    -12.08494805
  O     21.40948915      6.76526312    -11.49720743
  H     13.16362127     10.87327911    -11.40235904
  H     20.05797257      4.10735364    -12.58416428
  O     15.42917995     10.94332345     -9.25066564
  H     18.88457419      2.33120203    -11.03940312
  H     20.92877695      5.36604708    -12.68580239
  O     22.93140978      8.22276397     -9.63362209
  H     18.24813695      3.64088884    -11.56740081
  H     17.36766370      5.30025776    -12.81233060
  O     16.62869677      8.97738341     -7.70530601
  H     22.05006431      7.17903172    -10.90665886
  H     16.21515408      4.83712412    -11.87961709
  O     20.56479609      7.74652620     -8.07116134
  H     20.96845041      7.48268512    -11.97488654
  H     15.50069385     10.51678983    -12.41727185
  O     16.98367343      6.86644039     -9.51799567
  H     16.16361381     11.56534432     -9.27366511
  H     16.35965730      9.72763130    -13.44739859
  O     17.92182205     12.40674287     -9.23349996
  H     15.71496262     10.22810635     -8.66361577
  H     15.98863970      8.00584867    -15.31278613
  O     18.36534078     12.29842166    -12.06271332
  H     23.84008208      8.34957592     -9.37547216
  H     16.97284864      7.51869378    -14.23073212
  O     19.23330281     10.02553168     -8.75574217
  H     22.57213004      9.10286005     -9.84718451
  H     21.45917379     10.89223718    -11.05139107
  O     19.90306736      8.70660646    -12.78043256
  H     16.67431821      8.15330668     -8.21079849
  H     20.86410578     10.51820428     -9.67617180
  O     20.40293293      4.75013477    -13.21470997
  H     17.52546961      9.32467563     -7.71979358
  H     14.88683743      7.79050512    -13.04519857
  O     16.99407085      4.53374301    -12.36107779
  H     21.44253535      7.81900745     -8.46649621
  H     14.10657641      8.56544857    -11.95490957
  O     16.38348371     10.44811400    -12.80527446
  H     20.16718636      6.95639907     -8.45791199
  H     18.92680721      7.37433869    -13.53884907
  O     16.20510228      8.09340128    -14.38732479
  H     17.81266656      6.37146041     -9.58446693
  H     19.06473032      5.86628138    -13.77719651
  O     21.69093498     10.57680362    -10.16955033
  H     16.27160005      6.32897222     -9.88311203
  H     21.21671069     11.95973699    -13.38150533
  O     14.29338828      7.68084422    -12.29246092
  H     18.13839962     13.10887905     -8.62419983
  H     19.93559838     11.76076156    -12.53526626
  O     18.42347998      6.59174642    -13.80530583
  H     18.43255174     11.62953581     -8.95279770
  H     14.58984353      6.30048080    -11.32383319
  O     20.80114948     11.37156691    -12.75716677
  H     17.64785500     11.74784834    -12.40445312
  H     14.08129082      5.11042380    -10.47065490
  O     14.87197583      5.53107287    -10.79612335
  H     18.18694938     12.42962531    -11.12388114
  H     19.37031081      4.77638986    -10.06150994
  O     19.49280127      5.68235919     -9.75188015
  H     19.71383153      9.26699632     -8.38926799
  H     20.12530414      6.08201629    -10.36619495
          69
 Energy    -248.63217771031617     
  O     -3.26257984      0.70233689      0.35864060
  H     -3.61515288     -0.05042119     -0.12970419
  H     -0.58009090     -7.04422305      0.33173530
  O     -3.77409662     -1.85400751      7.31853808
  H     -3.53857436      0.56798550      1.27593321
  H      2.06992742     -0.31628895      2.99912267
  O      0.86161676      0.77056088      2.36926050
  H     -4.02587795     -1.87760253      8.23780051
  H      3.49861379     -0.53397584      3.54539395
  O     -3.89239172     -0.24885708      2.92309951
  H     -4.00176147     -2.72343786      6.94042394
  H     -0.79412694     -1.38034269      1.20741151
  O      1.38503724     -2.61580384      5.35452207
  H      0.11534885      0.65352557      2.97547499
  H     -0.96483949     -1.44237999      2.73021457
  O     -4.30914283     -4.16911756      6.00957263
  H      0.49906679      0.64000553      1.48495817
  H     -1.73202248     -5.01901304      1.50582318
  O     -1.33354061     -1.97990105      5.91432907
  H     -3.99631387     -1.11657489      2.51258616
  H     -1.67594048     -3.52521783      1.95384998
  O      0.87798999     -5.25905662      5.18654267
  H     -4.44080673     -0.26059210      3.72083535
  H      0.81523912     -2.68123829      1.77750714
  O     -6.00780607     -3.27261604      3.88175395
  H      0.55191284     -2.21754812      5.63695887
  H      2.27268688     -2.36837317      2.11586208
  O     -0.63479168     -0.00510903      0.01837211
  H      1.79592799     -2.01799289      4.71959473
  H     -4.32887555     -2.48518096      0.76634891
  O      1.34309874     -5.62568146      2.42054749
  H     -3.46810394     -4.43085880      5.60954652
  H     -3.68569256     -3.42088281      1.81446196
  O     -0.55568067     -6.12903145      0.59562685
  H     -4.91129407     -3.97887950      5.27979720
  H      0.05335698     -4.64243242     -0.42411779
  O      2.67821270     -0.98426707      3.36306388
  H     -1.51071879     -2.83160708      5.48923367
  H      1.01589240     -3.48883418     -0.08695511
  O     -0.84786516     -1.99775232      1.94903922
  H     -2.07905211     -1.81992462      6.50570155
  H     -1.31780259     -0.64883616      4.69948331
  O     -2.18596325     -4.34946486      2.03001528
  H      1.27996250     -5.70907329      5.92466969
  H     -2.22291008     -0.02557089      3.59850371
  O      1.72335042     -2.97651667      1.60914938
  H      1.13811621     -4.32154839      5.25317788
  H     -0.98235392     -1.95285855     -2.84210802
  O     -4.40520027     -2.78558012      1.67955320
  H     -6.87055700     -3.58816896      3.62335815
  H     -0.67806024     -2.68992055     -1.52005617
  O      0.38819751     -3.79903515     -0.75234553
  H     -5.51171041     -3.12004096      3.06127608
  H     -5.71569833     -1.59439980      4.82549084
  O     -1.30948929     -0.08756543      3.91253722
  H     -1.51148008      0.39322721      0.14493192
  H     -4.84560545     -1.00136341      5.94807583
  O     -1.26112565     -2.02724982     -1.93272907
  H     -0.70072087     -0.55428321     -0.76962062
  H     -1.95571307     -4.52575566      3.82672619
  O     -5.37096797     -0.76295675      5.17483127
  H      1.61583647     -4.73227665      2.16745420
  H     -0.94027588     -4.89804705      4.94459316
  O     -1.81119370     -4.51501095      4.78255942
  H      1.21470715     -5.60307518      3.37597970
  H     -4.46063529     -1.88681294     -1.70483946
  O     -3.88370274     -1.82490530     -0.94631833
  H      0.14945763     -6.04550273      1.26554309
  H     -2.97967484     -1.94057479     -1.27877493
          69
 Energy    -248.63194553511880     
  O     14.02242527     13.41479357    -14.84659426
  H     13.46996643     14.06037957    -15.28111292
  H     15.26563109      7.42366715    -15.97094917
  O     17.50987651      6.67518288    -13.91340766
  H     13.98703161     12.61130583    -15.39031032
  H     17.37653572     11.17381226    -15.25099733
  O     18.87128690     10.86693224    -12.39566239
  H     16.70088862      6.16398942    -13.80015402
  H     16.28940057     10.40612278    -14.45604084
  O     16.65945375     14.18347353    -13.91201312
  H     17.44855755      7.08326462    -14.78826049
  H     15.50187079      8.43217116    -18.79630097
  O     14.95613194      5.34778384    -13.68144385
  H     18.85718210      9.91099023    -12.28316232
  H     16.40226996      7.76616197    -19.84972088
  O     15.48290669     10.37114159     -8.89700318
  H     18.39533927     11.24049591    -11.63853988
  H     15.03671852     11.00837268    -12.56268393
  O     14.04874442      6.76781767    -11.57594358
  H     17.35796418     13.58377792    -14.20431832
  H     15.65926047      9.61547622    -12.21593862
  O     14.09617933     12.56740964    -12.13444793
  H     15.84843393     13.91620060    -14.35975822
  H     14.98717440     10.87674902    -16.05183887
  O     13.88742022      8.77917337    -18.05905767
  H     14.59903119      5.82060648    -12.90801677
  H     13.58004892     10.42719492    -15.58226448
  O     16.11486983      8.47755603    -10.85492027
  H     14.83385464      4.41705913    -13.51589444
  H     19.42667666      7.56573457    -11.60883858
  O     16.97778283      7.99345469    -16.30645133
  H     14.61495280     10.49528385     -9.32223852
  H     18.28061106      7.54725214    -12.64812683
  O     14.36480473      7.13330540    -15.76328826
  H     15.32694898     10.33128722     -7.95752830
  H     11.00193504      8.53957760    -11.96903212
  O     16.63648103     10.56358565    -15.34818699
  H     13.27544955      7.34165145    -11.59368708
  H     12.27330960      8.87038620    -12.78305499
  O     16.42217678      8.19272323    -18.99730626
  H     14.78136100      7.31343963    -11.25515208
  H     16.18797736     15.18915059    -10.93952629
  O     15.37384239     10.18615068    -12.93968791
  H     14.72292928     13.18713518    -11.73725715
  H     16.39256494     14.32359790    -12.20808093
  O     14.03811421     11.01789415    -16.19736654
  H     13.94068056     12.87393495    -13.03638670
  H     18.78785453     11.80161760    -13.81011574
  O     18.66042209      8.05011993    -11.90418429
  H     13.85711127      8.11225174    -17.36021327
  H     19.53669932     12.50279201    -14.97290834
  O     11.93855247      8.70126467    -11.88594700
  H     13.85789261      9.63021138    -17.60678684
  H     16.76450355     11.47522313     -9.77178178
  O     16.12199618     14.29832781    -11.27164938
  H     16.03897185      9.05743397    -10.08696465
  H     16.99815962     12.78524343    -10.55817157
  O     18.66725307     12.32280255    -14.62719924
  H     17.04846381      8.33985502    -11.06137133
  H     13.33637256     11.42772227    -10.88751506
  O     17.40391123     11.94254806    -10.32125689
  H     16.94052090      8.91466924    -16.01175196
  H     12.70900221     10.02322756    -10.74047421
  O     13.16375548     10.71923553    -10.25202370
  H     16.93732149      8.00344867    -17.27287447
  H     13.52389018      8.39221631    -14.78130094
  O     13.21149464      9.15160549    -14.26878428
  H     14.46314647      6.41343993    -15.12773496
  H     13.97768860      9.48186969    -13.77235259
          69
 Energy    -248.63184672819807     
  O      9.98882120      9.66385323    -12.25118222
  H     10.05191907      8.74854562    -11.92400835
  H     18.36829612      6.69371791    -15.04827803
  O     14.62743519      7.61659612    -15.42293371
  H      9.21487372     10.04827283    -11.84920622
  H     15.97709484     12.05032158    -14.87737918
  O     17.02209020      9.65183867    -10.04331656
  H     15.22820227      7.84492231    -14.69572055
  H     16.23538706     11.72765724    -13.39052093
  O     18.81784957     10.72815755    -15.12155815
  H     15.17305296      7.44084353    -16.19813648
  H     17.11664938      8.18742465    -13.53288783
  O     13.04443638      9.83976051    -15.24850574
  H     17.17578619     10.26062020     -9.32526728
  H     16.08323631      7.75019802    -12.44983810
  O     13.51754089      5.80009696    -13.67105510
  H     16.49706328     10.12928129    -10.70735627
  H     11.35985625      7.13110024    -11.30681855
  O     15.46157273     10.63316688    -12.08752156
  H     18.08944769     11.24888311    -14.73879378
  H     10.40133769      6.55270127    -12.35478465
  O     16.86081897     10.02365499    -17.12571687
  H     19.52571840     11.34046122    -15.30522261
  H     16.89921302      5.94545508    -10.79346976
  O     16.29367643      4.81664883    -13.61814853
  H     13.55775617     10.54742496    -15.65567414
  H     17.75329660      4.70343010    -10.43864078
  O     18.85598879      8.15552809    -14.01750790
  H     13.56102974      9.02812236    -15.36791299
  H     10.14026824      5.41826192    -14.69896353
  O     16.48756708      7.23894989    -17.48268606
  H     13.86699173      6.36315689    -14.37852189
  H     10.66976678      6.85663696    -14.49146265
  O     17.87868781      6.03543400    -15.55867671
  H     12.57893990      5.67925144    -13.86311036
  H     18.71007120      7.02102363    -11.18744395
  O     16.65181996     12.07882332    -14.18774771
  H     14.49567524     10.62047382    -12.09276221
  H     18.46645423      8.50716149    -10.83201468
  O     16.19248708      8.26436902    -13.25724002
  H     15.73724429      9.85287507    -12.59644725
  H     16.08569714      8.04738323    -10.22430116
  O     10.42333054      7.07052880    -11.54028345
  H     17.61548372     10.15238078    -16.53959791
  H     14.79578717      7.31053996    -10.73170146
  O     17.63242632      5.38167723    -11.09899605
  H     16.79098768      9.07612494    -17.29535004
  H     14.70931169     12.31977274    -17.06580799
  O     10.73482253      5.94038492    -14.16688272
  H     16.71761300      4.92154949    -12.75844253
  H     15.53752605     11.06137708    -16.71179616
  O     19.06692288      7.91215760    -11.29486740
  H     15.35471218      4.99871885    -13.50246551
  H     13.09806352      8.39314224    -11.85239333
  O     15.74282576      7.20978408    -10.56012565
  H     18.96758141      9.05351200    -14.35405474
  H     13.33367653      6.89943512    -12.24774068
  O     14.84830655     11.66814556    -16.38340176
  H     19.11185765      8.13404147    -13.08325034
  H     11.81773529     10.11619290    -12.32972380
  O     13.21110026      7.50123405    -11.49733004
  H     17.04117577      6.76079308    -16.83607661
  H     12.87104735     10.05273930    -13.46437157
  O     12.76691288     10.10372960    -12.50187856
  H     16.49768178      6.72850777    -18.28697729
  H     10.24675396      9.02978473    -14.06723178
  O     10.55635815      8.57164225    -14.85804069
  H     17.33789140      5.54070940    -14.92593569
  H     11.34927570      9.04554586    -15.14141632
          69
 Energy    -248.63155981024977     
  O      6.72634980     10.82426177     -5.49057476
  H      6.71608845     11.78889377     -5.50011720
  H      8.75667688     11.10106158     -2.56384138
  O      4.57707550      9.72535589      1.28700800
  H      7.52918272     10.55048637     -5.02957612
  H      6.16928761      9.71871951      0.21743645
  O      3.47203871     13.31039415     -5.55490482
  H      4.16414833     10.51661481      0.90266774
  H      6.09508212     10.18909145     -1.24255932
  O      4.66037839      7.35617683     -3.11058550
  H      4.44298542      9.77598056      2.22983000
  H      6.40455991     17.16225659     -5.41581355
  O      6.21513618     13.62745882     -5.26676974
  H      3.05612034     12.48057659     -5.81361823
  H      5.06909272     16.38344907     -5.48829388
  O      4.91180986     11.05607676     -2.32651434
  H      3.09248280     13.54623084     -4.69562886
  H      6.48711186     13.46215579     -3.48395301
  O      1.18260157     10.16157572     -1.00787744
  H      4.19142334      7.66929090     -2.31663825
  H      7.27894208     12.85580905     -2.26783572
  O      2.25797493     10.78348405     -5.84507893
  H      4.37640153      6.45734705     -3.25632651
  H      8.39062261      9.11630281     -3.52483722
  O      2.26429041     14.02031875     -3.15139041
  H      6.30054340     14.58913892     -5.26734052
  H      9.70983916      9.42513170     -4.27145220
  O      1.08699743     11.48989365     -3.33715088
  H      5.27416589     13.44824029     -5.41788766
  H      2.55961960      8.84499302     -1.00480960
  O      1.94129787     16.74902617     -3.76081255
  H      5.46282317     11.82585835     -2.52448724
  H      3.79461317      8.58799249     -0.13039161
  O      8.50136955     11.64841633     -1.81054394
  H      4.67874238     10.62741226     -3.15652525
  H      3.38021906     15.12129442     -6.11832800
  O      6.70169055      9.82709550     -0.57708019
  H      1.11990302     10.60017965     -1.87624955
  H      2.81411546     16.38326610     -5.43728007
  O      5.93115088     16.42616303     -5.03644600
  H      0.28826028     10.01415237     -0.71282677
  H      5.10762773     13.98252156     -1.59606631
  O      6.47256314     13.32596206     -2.52774509
  H      3.02399605     10.31472199     -5.46670863
  H      3.95752088     13.56171613     -0.63838607
  O      8.89353772      9.81883825     -3.97505298
  H      1.97582838     10.28554045     -6.60728630
  H      7.25689020      8.53427057     -1.76898068
  O      3.32971114      8.26960671     -0.91204983
  H      2.94364731     14.08561718     -2.46661538
  H      6.52257723      7.70077893     -2.82600334
  O      3.44428404     16.08600346     -6.10572504
  H      1.97893205     14.92134834     -3.34775669
  H      3.89151107     11.50735100     -0.96681018
  O      4.26950878     14.27730331     -1.20424627
  H      1.37468886     11.20225242     -4.21081744
  H      2.50319147     11.34620158     -0.32759716
  O      7.39511624      8.03054271     -2.58402724
  H      1.40415290     12.39789685     -3.23465292
  H      5.04267598     16.62225138     -3.27858415
  O      3.36844711     11.74884147     -0.18298522
  H      1.38465372     17.47396670     -3.49124845
  H      4.42259926     16.00766061     -1.99395541
  O      4.38372343     16.76768886     -2.58914077
  H      2.79488375     16.86037174     -3.30207295
  H      4.55091277      8.79792518     -4.27026120
  O      4.42107062      9.64372085     -4.71540874
  H      8.03865760     11.05323508     -1.20603943
  H      5.27165851      9.97321363     -5.05052894
          69
 Ord_Energy   -248.631516    
 O   -6.26103687      0.119688049       6.38768435    
 H   -6.59974957      0.100076340       7.29677725    
 H   -6.06561899     -0.782552719       6.11529398    
 O   -3.48309183       5.06520748       6.40233326    
 H   -2.86424589       4.84963036       7.10991478    
 H   -3.09251547       4.72820091       5.58593321    
 O   -2.87880063       5.30459583E-02   9.74568462    
 H   -3.60012031     -0.464996159       10.1260605    
 H   -3.23507833      0.436404914       8.92589188    
 O  -0.514225662       2.71352768       2.27003431    
 H   -1.26878381       2.33126545       1.78547204    
 H    2.53261104E-02   3.16500568       1.62608421    
 O   -1.62642276       4.16063499       8.42680740    
 H  -0.979504466       4.72895527       8.83625507    
 H   -2.11846542       3.73184681       9.14863586    
 O   -1.96815026      -1.20663929       1.75452173    
 H   -1.65517402      -1.91360092       1.19733894    
 H   -1.18680358     -0.830785930       2.20157433    
 O   -2.69192028       1.51028192       1.16592371    
 H   -3.36371350       1.67104459       1.84420526    
 H   -2.52818155      0.559706807       1.18234360    
 O    2.21109996E-03   6.60084980E-03   3.15965295    
 H  -0.216379613     -0.124296568       4.09203243    
 H   -5.14144488E-02  0.953887522       2.98371363    
 O   -5.20167208      -2.35019112       5.49978590    
 H   -5.61610508      -2.96913457       4.90380430    
 H   -4.54344749      -1.85505748       4.98242903    
 O   -4.09234858      -2.80670285       8.07569027    
 H   -3.16565847      -2.55009103       8.00446796    
 H   -4.47517061      -2.70808220       7.19535780    
 O   -1.08303189     -0.367440939       5.75212049    
 H   -1.15210807      0.561933577       6.02176809    
 H   -1.11671162     -0.893121481       6.55948496    
 O   -3.05320883       2.86191225       10.3383474    
 H   -3.98045897       2.95921135       10.0787821    
 H   -2.88213515       1.91235447       10.3465767    
 O   -5.09998322      -1.58003509       10.2859411    
 H   -4.81064653      -2.07889247       9.50051498    
 H   -5.38049555      -2.22191238       10.9328451    
 O   -3.90843272       1.14792192       7.47188711    
 H   -3.22025704       1.54188192       6.92509985    
 H   -4.62106848      0.798280120       6.92258215    
 O   -6.39082813       2.49319720       4.95721531    
 H   -6.36609697       3.20278788       5.60868454    
 H   -6.50709915       1.66934919       5.45225763    
 O   -6.89941835      0.290509701       9.04604816    
 H   -6.34007788     -0.309609920       9.55372429    
 H   -6.57000923       1.18368638       9.21317863    
 O   -3.32870889     -0.860430181       4.18271017    
 H   -2.57267809     -0.701914370       4.76649427    
 H   -2.96632361      -1.06841767       3.31142306    
 O   -1.54525077       2.22482514       6.41645718    
 H   -1.75840497       2.74271488       5.62736177    
 H   -1.44525373       2.84784389       7.14690065    
 O   -6.10527658       4.58939457       6.91982937    
 H   -6.59782934       5.40167618       6.83557367    
 H   -5.17598104       4.80438423       6.72222900    
 O   -4.21908045       1.77352297       3.50300956    
 H   -4.01562405      0.879089832       3.80023527    
 H   -5.04026937       2.05421209       3.93525314    
 O   -2.33423615       3.65089703       4.21104479    
 H   -3.05561900       3.05300879       3.95889974    
 H   -1.63030016       3.50797200       3.56714630    
 O   -1.40847194      -1.71502352       8.22125340    
 H   -1.81924224      -1.07213342       8.82380104    
 H  -0.728234112      -2.16161442       8.72017765    
 O   -5.53102016       2.79491878       9.02048969    
 H   -4.93891287       2.25198436       8.47641659    
 H   -5.86003590       3.47849607       8.42410088    
          69
 Energy    -248.63107495054248     
  O     15.88506843      9.08691461    -14.46840589
  H     15.93798837      9.66116521    -15.25499430
  H     16.86101559     11.09051965    -16.96872639
  O     16.49933759     15.75203592    -15.61537623
  H     15.41335484      8.30134399    -14.73105331
  H     17.87993986     10.82465127    -10.67723218
  O     20.03321084     10.22627117    -15.89090092
  H     17.15760901     15.30397270    -16.17922853
  H     19.30581302     11.38148060    -10.71604385
  O     20.06666064     13.10881894    -10.59503467
  H     16.08254409     16.41864445    -16.15449671
  H     21.15676728     17.03521439    -12.61269154
  O     16.21144841     11.72082405    -10.52094324
  H     20.52291884     10.99258008    -15.55472026
  H     19.64224326     16.81528946    -12.41296809
  O     21.26805646      9.46369526    -11.84933620
  H     19.54332042      9.87546892    -15.13728075
  H     21.36364629     12.50055963    -11.69983433
  O     18.52514909     11.65017628    -17.66439402
  H     19.25097757     13.45375477    -10.98522819
  H     21.98842386     11.16388963    -12.14801762
  O     20.42481679     15.25322764    -15.10926547
  H     20.53065420     13.87028519    -10.22464338
  H     18.52468773      9.85119435    -12.61948866
  O     21.41460654     15.47331890     -9.94680395
  H     15.71719306     11.53811658    -11.34116038
  H     17.58290290      9.31720537    -13.76073895
  O     20.98887471     12.57743542    -14.78131477
  H     15.58067597     11.69597806     -9.80673469
  H     18.49873799     13.52132977    -17.19494053
  O     15.00014955     11.28611521    -12.87793504
  H     20.96209694      8.99760385    -12.62833145
  H     19.24826994     14.70044470    -16.50940139
  O     16.05399651     10.87685692    -16.48504797
  H     20.46307021      9.68269631    -11.36064572
  H     22.87597298     15.84508135    -13.23667522
  O     18.78876606     10.58423513    -10.89828905
  H     19.07353275     11.10944509    -17.07002288
  H     23.32066595     17.04300698    -14.11056888
  O     20.45765979     17.04085736    -11.94706667
  H     18.79557158     11.43375486    -18.55369726
  H     17.60275411     16.02227206    -14.09839513
  O     22.04837976     12.12005217    -12.26994139
  H     19.70406714     15.48107418    -14.50516328
  H     17.98845679     15.31032173    -12.77511507
  O     18.47792854      9.62138247    -13.55739815
  H     21.19926621     15.74551820    -14.80918725
  H     22.76724482     14.91830640    -11.21744615
  O     18.44072398     14.45993943    -16.98180868
  H     21.02204535     16.07427277    -10.60588536
  H     23.02734666     13.72301667    -12.15181937
  O     22.55787480     16.53736478    -13.84425434
  H     21.57107735     15.98918531     -9.16058604
  H     18.27148266     11.41721263    -13.88188254
  O     18.27964483     15.97837608    -13.41179053
  H     21.43274840     12.43951185    -13.93281980
  H     19.20358739     12.55044159    -14.33422492
  O     23.24124367     14.65540693    -12.01610575
  H     20.93380739     13.52901492    -14.93816160
  H     15.81063927     14.06056537    -15.08901338
  O     18.31087259     12.37262743    -14.01454199
  H     15.18671310     10.47133330    -13.35904603
  H     16.69538593     12.88140922    -14.64404958
  O     15.77931924     13.12870850    -14.84910341
  H     15.11054689     12.00392241    -13.51645852
  H     17.07553374     13.25956942    -11.25930870
  O     17.67053634     13.80834445    -11.78273572
  H     15.78714564     11.70038361    -16.05419182
  H     17.89454389     13.28449124    -12.57019129
          69
 Energy    -248.63087789387674     
  O     -1.37968398      3.19524493      3.49085239
  H     -1.87973714      3.93290345      3.85084551
  H     -4.40899223     -2.53316064      2.56086101
  O      0.88603035      3.90938905      0.19330498
  H     -1.48473074      3.29813073      2.53250887
  H     -3.64546714      1.89526961      0.25797768
  O     -0.93711256     -0.66847645      1.86610733
  H      1.54402629      4.55361184     -0.05467607
  H     -4.10506363      2.38799471     -1.13035230
  O     -5.62084409     -0.51450813     -1.25319935
  H      1.12102707      3.59440298      1.08555144
  H     -5.78898091      3.31870487      3.33129513
  O     -3.30741727     -1.90455302     -1.28468309
  H     -1.16164494     -0.32574159      0.98896136
  H     -4.72336913      4.38756232      2.85023031
  O     -4.26285226      1.35800777      1.78660338
  H      0.00730973     -0.51300132      1.98365383
  H      1.00817737      2.09245299     -0.47944826
  O     -6.58108675      2.09454657      4.32888699
  H     -5.72957788      0.40667433     -1.51571335
  H      0.21647307      0.79561547     -0.77655393
  O     -8.35361653      1.13956813      2.21275561
  H     -5.96660098     -0.57886676     -0.35221772
  H     -2.35718201      3.55356173      0.29277013
  O     -2.44843647      0.63735432      3.78406196
  H     -3.34294348     -2.55357064     -1.98219901
  H     -0.92562307      4.12710729      0.53120168
  O     -5.86220905      2.29666035     -1.77171564
  H     -4.14735750     -1.41166758     -1.31620292
  H     -3.07524790      6.39818243      2.93465497
  O     -6.29200037     -0.49594278      1.46336820
  H     -3.67844075      1.05731749      2.49303245
  H     -2.71320777      5.11886759      2.15119868
  O     -5.22063545     -2.47761238      3.09710554
  H     -4.67129457      2.18681214      2.07693634
  H     -5.09031836     -0.96424139      4.32964906
  O     -3.32666870      2.29355391     -0.56996897
  H     -6.05111372      1.31870432      4.56534933
  H     -4.03487961      0.10497978      4.63172954
  O     -5.39248029      3.75986733      2.56094483
  H     -7.28769948      1.77628854      3.75581074
  H      1.48991179      1.91534910      2.55191358
  O      1.09863562      1.13674556     -0.57203282
  H     -7.69208658      0.48038307      1.94055155
  H      0.49149213      2.93850572      3.15365260
  O     -1.82776979      4.11569296      0.87503111
  H     -9.19121316      0.68595296      2.25807177
  H      1.61183561      0.45663588      0.95297011
  O     -3.15033007      5.44726354      2.95490899
  H     -1.88641324      0.11244850      3.19711242
  H      2.57796484     -0.33730415      1.86861000
  O     -4.95422644     -0.13795304      4.80612163
  H     -2.04810832      1.51512228      3.83670485
  H     -3.15936717     -2.40184441      0.55521585
  O      1.31671121      2.85928689      2.65899009
  H     -6.34729422      2.58849524     -0.97804843
  H     -2.24378173     -2.01693368      1.73095678
  O      1.75735399      0.14803832      1.86661628
  H     -6.28265629      2.71496857     -2.51785604
  H     -2.05844672     -0.56056285     -1.02537994
  O     -3.03218156     -2.52558849      1.50354853
  H     -5.58569844      0.15952099      1.57860820
  H     -2.11973989      0.96613559     -0.77444924
  O     -1.53250356      0.19807996     -0.74228709
  H     -6.04796187     -1.25572194      2.00635886
  H     -7.68709093      2.46874976      0.99904577
  O     -7.12233593      3.06509644      0.49347346
  H     -5.39491399     -3.35712021      3.42055248
  H     -6.54042066      3.47590157      1.14822542
          69
 Energy    -248.63080683071900     
  O     14.78308727      4.52895706     -9.53427169
  H     14.80915621      5.47816548     -9.37238953
  H     16.99958607      4.55283208    -14.58500936
  O     12.78646496      4.15125914    -11.43189345
  H     14.09195919      4.38733260    -10.19879127
  H     14.15435638     10.02440968    -11.76353139
  O     17.11395400      3.72250486    -10.77956932
  H     12.64655717      3.19543897    -11.41828660
  H     14.55597407      9.25102521    -10.48409532
  O     19.33158701      6.79166274    -13.88256441
  H     13.05404939      4.39425622    -12.32620304
  H     15.63277615      7.62911821    -12.96298833
  O     12.14200500      7.39556704    -13.15318821
  H     16.32364334      4.00237356    -10.29404408
  H     14.99531567      6.23620205    -12.79541153
  O     12.72562048      1.36746339    -11.14337873
  H     17.63730851      4.51942182    -10.93905987
  H     14.96605483      7.20142527    -10.69401430
  O     14.45582923      1.72389480     -9.07698945
  H     20.22021662      6.90714481    -14.20745118
  H     15.65997539      7.63374698     -9.39301677
  O     18.12702466      9.17172628    -13.51251600
  H     18.94976095      7.68359990    -13.78136585
  H     15.74376238      0.79642357    -11.95553197
  O     17.44021260     10.36878227    -11.02268441
  H     12.56805743      6.60569721    -13.49351411
  H     14.25518439      1.00632291    -12.27804879
  O     13.93436653      5.09117126    -13.86073252
  H     12.00882459      7.23530510    -12.20533195
  H     12.16071148      5.79370386    -10.65871429
  O     15.53656611      8.78785499    -14.43729145
  H     13.27985215      1.42625419    -10.34396833
  H     12.88863079      7.00844607    -10.04460865
  O     17.26421674      5.27569937    -15.16857779
  H     12.02108308      0.75529391    -10.94809891
  H     18.69504706      6.32508754    -12.19148614
  O     14.73746841     10.04687383    -10.99544916
  H     14.57166874      2.67705026     -8.97424837
  H     17.22105822      6.43192943    -11.76011069
  O     15.55601516      6.88345520    -12.35439350
  H     15.30388457      1.38455695     -9.39155657
  H     15.72278664      2.51541282    -13.32124206
  O     14.79595611      7.38526598     -9.75552154
  H     17.26207840      9.15982958    -13.94523635
  H     16.45570012      3.60119155    -12.51386697
  O     15.12766807      0.94278052    -12.68501199
  H     17.99066866      9.59705206    -12.65720367
  H     17.10044280      1.96324040    -10.53160246
  O     12.07190055      6.73994464    -10.48172907
  H     17.66923170     11.24428521    -10.72065567
  H     17.69645363      0.58853345    -10.14830863
  O     18.10156213      6.17198495    -11.44711670
  H     16.46759684     10.32561625    -11.03709470
  H     15.88284875      6.07715747    -15.79494592
  O     16.05006688      3.42543076    -13.37244385
  H     14.15315138      5.54209659    -14.68721034
  H     14.92531867      6.40701376    -16.97038360
  O     16.88609624      1.02324973    -10.40085919
  H     14.63352439      4.42994813    -13.72443592
  H     17.55400772      8.85515248     -9.83783013
  O     15.03479105      6.50142925    -16.02810180
  H     14.72646172      9.25263667    -14.18958579
  H     17.84133716      7.35380222     -9.94958291
  O     17.44402789      8.01732064     -9.37079770
  H     15.30547960      8.10380923    -15.07849094
  H     12.51132657     10.48789486    -13.64814354
  O     13.18363546      9.86192154    -13.39361609
  H     17.99662397      5.73719426    -14.74302338
  H     12.75084395      8.99092248    -13.32956644
          69
 Energy    -248.63063880533429     
  O     17.73572547      8.76359188    -15.34056930
  H     16.78208264      8.86204522    -15.22624173
  H     16.01755310      6.74896346    -17.16941444
  O     17.00213130      1.95066614    -13.02609357
  H     17.85548150      8.16917413    -16.09038428
  H     18.68723930      1.86736678    -12.89420544
  O     20.80706196      6.11778524    -13.08400127
  H     16.73595534      2.15139743    -13.93637308
  H     19.92696120      1.06900242    -12.42554051
  O     14.18920039      4.25388763    -16.20510491
  H     16.33179218      2.31202791    -12.43867642
  H     13.13352237      6.23837060     -9.95374644
  O     18.56153957      4.61944469    -15.93824168
  H     20.38750461      5.59436974    -12.38368265
  H     13.79591145      7.57718083     -9.57635757
  O     13.33790816      4.39924562     -9.45707471
  H     20.97419237      5.47548093    -13.77878796
  H     18.59360639      4.49867016    -10.84228174
  O     16.72352728      7.67092349    -11.02654057
  H     14.48591017      5.12810210    -16.51741472
  H     19.40188304      3.47322701    -11.72428703
  O     17.08329731      5.04944194    -10.02844587
  H     13.38570702      4.04930314    -16.67493639
  H     14.53633304      4.67220154    -14.44584577
  O     17.87766948      6.80157151    -17.43720875
  H     18.16225258      4.93231665    -15.11098411
  H     15.80482369      5.08687973    -13.63306970
  O     17.54462316      5.43920566    -13.51704104
  H     19.41100387      4.23732651    -15.68685351
  H     19.53067664      7.44877563    -13.02212212
  O     20.85890484      3.57321356    -14.72667987
  H     12.66160664      3.76136288     -9.24253432
  H     18.47112051      8.33304030    -13.78122715
  O     15.09566426      6.69576786    -16.88826275
  H     13.91715009      3.97885957    -10.11327338
  H     14.47520964      6.58660113    -12.96652319
  O     19.65660743      1.90885678    -12.78626386
  H     17.48720426      7.87440162    -11.58446372
  H     13.85615911      7.44800188    -11.82484936
  O     13.17964210      7.17108837    -10.19855046
  H     15.95005783      7.63952345    -11.60671887
  H     15.88844540      3.95793312    -10.87963986
  O     19.28282648      4.40615747    -11.51500838
  H     16.66338683      5.08290455     -9.15775316
  H     14.94419192      3.95002187    -12.11477583
  O     14.84292040      4.96560211    -13.58049938
  H     16.99866484      5.93426210    -10.40980317
  H     17.21812382      3.24438466    -15.91123966
  O     18.69102669      7.92165311    -12.93158365
  H     18.35923566      6.84437085    -18.25933695
  H     15.68475531      3.11103435    -15.93106294
  O     14.40990875      7.48841878    -12.61826281
  H     18.17647849      5.99928979    -16.97672283
  H     14.68789798      5.05016069     -8.21774732
  O     15.17759832      3.46046381    -11.31130500
  H     18.06333316      4.93627751    -12.87644847
  H     15.42835237      6.37141024     -7.93148279
  O     16.49262901      2.66178896    -15.65553992
  H     17.82647996      6.35707356    -13.40775794
  H     15.95055860      8.07351257     -9.44885603
  O     15.48878122      5.41363600     -7.81912446
  H     21.67671854      3.16919797    -15.00798320
  H     15.62340259      8.98314954     -8.24407762
  O     15.39287686      8.15475031     -8.65676523
  H     20.47541803      2.97891473    -14.06259686
  H     14.69452363      8.39951674    -14.10685515
  O     14.89809283      8.80247897    -14.96739659
  H     14.95961978      7.42199968    -16.26765884
  H     14.35207287      9.58177986    -15.03889821
          69
 Energy    -248.63040721850487     
  O     16.26911104     10.92214744    -17.85049370
  H     15.61169653     10.81987171    -17.13677050
  H     17.07314855      5.38573668    -12.64463695
  O     15.57933310      5.23992831    -13.49698240
  H     15.84043345     11.40889824    -18.54872254
  H     21.20273059     10.03733639    -17.39974342
  O     17.73288172     13.47270004    -11.00026328
  H     14.81704486      5.75448564    -13.20456535
  H     20.58290362      9.58527300    -16.05594769
  O     20.80099974      9.02384166    -14.43531908
  H     15.54419886      5.25377491    -14.46171796
  H     17.70192490      9.80720474    -15.11395211
  O     17.08827795     10.26718271     -9.46178150
  H     17.81248619     13.16842012    -11.91605952
  H     17.38822494      8.60460972    -15.99538728
  O     15.61264630      8.89213585    -12.95709750
  H     16.85064115     13.20192804    -10.71934891
  H     14.59340781     10.99366500    -14.92798870
  O     17.88054158     12.05024874    -13.39969129
  H     20.47574833      9.47078968    -13.64355187
  H     14.28537545      9.69518579    -15.73516239
  O     19.12160342      6.79132249    -14.42784267
  H     20.41759686      8.13629500    -14.40747539
  H     17.81749620      7.24764496    -11.44577175
  O     13.55320573      7.11952519    -12.89804754
  H     17.24830701      9.45116769     -9.95325739
  H     16.89730023      8.42917755    -11.82627399
  O     17.97756529      6.01885177    -16.91077757
  H     17.93834652     10.72381932     -9.43776635
  H     14.42433634      7.15602941    -15.98074067
  O     15.38867721      5.52903464    -16.31126463
  H     16.11099838      8.77763233    -13.77955198
  H     13.59899015      7.62754226    -14.78231591
  O     17.92738475      5.52693845    -12.19657823
  H     15.38146140      9.82938863    -12.90971548
  H     20.15198994     12.18360162     -9.29497268
  O     20.37151499      9.90196817    -16.95336102
  H     18.07982552     12.05612522    -14.34610560
  H     18.94084389     12.46159891    -10.21814817
  O     17.39552175      8.89458632    -15.07479124
  H     18.42868815     11.36168542    -12.99847830
  H     19.67138980     10.63779276    -11.37464720
  O     14.54424209     10.62612958    -15.81551801
  H     18.51139067      7.53698490    -14.53864089
  H     18.90928584      9.38723136    -11.87736930
  O     17.65640943      8.18248377    -11.27572913
  H     18.81401194      6.29741410    -13.65885598
  H     14.67345097     12.32810195     -9.59533856
  O     13.92210109      7.90873268    -15.64619977
  H     14.26610376      7.78098454    -12.84031284
  H     15.86076034     11.41668126     -9.98248153
  O     19.51214400     11.75880811     -9.85934634
  H     12.91828346      7.33709410    -12.22114696
  H     17.35261123      9.37248918    -18.01152035
  O     19.48412159     10.11187184    -12.16251238
  H     18.50420452      6.14498500    -16.11074036
  H     18.82406759      9.03889453    -17.64250819
  O     15.27023067     12.11918494    -10.30904518
  H     18.02863438      6.84648053    -17.40861549
  H     16.09308860     11.79582106    -13.26167281
  O     17.96517208      8.64385496    -17.84733512
  H     15.03997118      4.87580113    -16.91256426
  H     15.01577763     11.84150121    -12.16224851
  O     15.16380477     11.58472434    -13.08136712
  H     16.31865103      5.66792804    -16.56130205
  H     17.61517237     11.46531030    -16.68750812
  O     18.30622358     11.54150864    -16.01693107
  H     18.15872526      4.70204070    -11.77854539
  H     19.09600662     11.11682441    -16.37526212
          69
 Energy    -248.63003819043084     
  O     -1.10026538      3.79257826      2.52036507
  H     -0.60199683      2.96599669      2.43915803
  H     -0.58707749      8.33098340      0.25626551
  O     -2.85046327      5.86039032     -0.66164911
  H     -1.92818087      3.66647807      2.03729019
  H     -0.28432171      1.33369390      1.01822316
  O      4.48951166      6.42532139      0.54120006
  H     -2.67434634      6.52071716      0.01988605
  H      1.10844302      1.85714253      1.41087873
  O      2.07970901      7.43402398      1.54970120
  H     -2.01940889      5.74186114     -1.14422627
  H     -0.30261323      3.75263764     -2.33061893
  O     -0.37894702      5.41024797     -1.80068030
  H      5.34464022      6.79733683      0.34392133
  H     -0.57276329      2.31668470     -1.77287718
  O      2.40465489      2.96140892      0.56769518
  H      4.10213433      6.14556268     -0.30786255
  H      0.84597215      8.00177010     -1.69411519
  O      0.62290182      5.08647423      0.69809179
  H      2.94791632      7.18918603      1.20261652
  H      1.20481826      8.26528798     -3.17738141
  O     -2.04100333      7.68653356      1.34850719
  H      2.07506467      7.19165216      2.48433446
  H     -3.36758209      1.25871203     -2.76545153
  O     -1.49228820      1.53910832     -0.44376671
  H     -0.00607379      5.29792847     -0.90984898
  H     -4.30167544      1.12876663     -1.55426281
  O     -0.78452689      6.36807381      3.39379028
  H      0.08511860      6.15262457     -2.20451005
  H     -3.85990699      3.88087808     -2.97618492
  O     -3.18323382      3.46690723      0.73482744
  H      2.60681163      2.83210582     -0.36418549
  H     -4.00371387      4.98875306     -1.89962322
  O      0.24820027      8.55090308     -0.17077209
  H      1.79854657      3.71893834      0.59330142
  H     -2.54358498      2.60358183     -4.84318025
  O      0.27741737      1.53123745      1.77971390
  H      1.04908678      5.88000312      1.04174388
  H     -1.75724845      2.71354521     -3.52021240
  O     -0.21822709      2.80619916     -2.53124895
  H      0.01998901      4.74114766      1.37033878
  H      2.99523941      2.42766285     -2.90240946
  O      1.18130482      7.58534564     -2.51004087
  H     -2.61590388      8.33552624      1.74768900
  H      1.58722000      2.86492873     -2.44640781
  O     -3.58977889      0.67853954     -2.02710398
  H     -1.58310774      7.24105180      2.08265494
  H      2.38068105      6.25862389      4.92423582
  O     -4.49820426      4.33642904     -2.41287122
  H     -2.14252590      1.02880015     -0.94676423
  H      2.57319184      5.52089753      3.58159831
  O     -2.64978158      2.70042037     -3.89960153
  H     -2.00091684      2.23108736      0.00093727
  H      4.07059265      5.15732188      1.92017899
  O      2.53607354      3.00982690     -2.30146843
  H     -0.99955551      5.43187402      3.26368448
  H      3.29704750      3.84083004      1.98774700
  O      2.02754143      6.18378998      4.04167172
  H      0.12359488      6.37278926      3.71481443
  H     -6.35918745      2.45684014     -0.57491167
  O      3.63407819      4.55848865      2.53926951
  H     -3.09637386      4.30899340      0.26560163
  H     -5.19448372      3.14600117     -1.32861821
  O     -5.41155361      2.45380766     -0.67757499
  H     -4.00333713      3.06295201      0.42697909
  H      2.59267302      6.35594096     -2.08897491
  O      3.27697826      5.75178367     -1.77713085
  H      0.93358680      8.30426414      0.46820740
  H      3.00170801      4.85807081     -2.01184870
          69
 Energy    -248.62993102704746     
  O     -8.16957615     -2.83465580     -1.49711309
  H     -7.26426182     -3.02965852     -1.21535568
  H     -4.81289891      0.59166238     -6.27527176
  O     -2.83629562     -1.81439137     -7.07934127
  H     -8.11970061     -1.98955575     -1.95745860
  H     -3.14961274      1.13878646     -5.00598882
  O     -2.59717012     -1.84309975     -3.10445834
  H     -2.99434520     -2.24269087     -7.92935469
  H     -3.75145661      2.55976046     -4.88840906
  O     -6.46329907     -6.22638042     -1.45071804
  H     -2.97961169     -2.48900531     -6.40128887
  H     -6.71350147     -2.39418829     -8.43794993
  O     -7.72996750     -0.43394654     -2.99094634
  H     -2.50866984     -2.40137302     -2.32367523
  H     -5.90194271     -1.08577510     -8.31289303
  O     -2.81652919     -5.67995154     -3.00788722
  H     -3.41119309     -1.32425275     -2.99251247
  H     -5.19754326     -7.43889532     -4.24148811
  O     -3.82046952     -3.17509316     -9.35876333
  H     -7.35813542     -6.08635358     -1.78228351
  H     -4.70701613     -8.56594871     -3.30454993
  O     -4.83253330     -0.25781261     -2.97597159
  H     -5.99052219     -6.75082840     -2.10867139
  H     -6.36186699     -0.97466707     -5.83761486
  O     -9.06048191     -5.27170819     -2.33786836
  H     -7.61405220     -0.76977137     -3.89651188
  H     -7.26624340     -2.22212846     -6.00168003
  O     -5.83360476     -3.59576135     -3.98305659
  H     -8.32794350      0.30748398     -3.04781239
  H     -1.90246371     -0.60601404     -4.35387646
  O     -5.88531186     -6.98298779     -5.76711491
  H     -2.88094316     -5.15959481     -3.81622147
  H     -1.96688371     -0.55954797     -5.89380965
  O     -5.08891524     -0.15945822     -6.81446462
  H     -3.47962857     -6.37771788     -3.08475052
  H     -7.74397288     -4.26101211     -6.48526921
  O     -3.98555324      1.63838237     -4.95728372
  H     -4.65279623     -2.66964683     -9.31951990
  H     -6.38968780     -4.08447759     -7.18574153
  O     -6.12261187     -1.80266274     -8.92153658
  H     -3.59564554     -3.27168735    -10.27989445
  H     -2.92894830     -3.04715721     -4.41177625
  O     -4.85038949     -7.62398971     -3.35136997
  H     -4.65813599      0.47285743     -3.58251199
  H     -4.27188968     -3.71814079     -4.71050023
  O     -7.04948500     -1.49722436     -5.40129044
  H     -5.78408218     -0.27364823     -2.83138193
  H     -4.11770773     -4.55560007     -6.52141200
  O     -1.83067184     -0.00942429     -5.11203525
  H     -9.87323881     -5.49306368     -1.89138014
  H     -4.32516350     -4.44313353     -8.04913968
  O     -7.27382259     -3.69686046     -7.11380372
  H     -8.81415502     -4.37759606     -2.03922943
  H     -8.45999538     -5.33849792     -4.11254281
  O     -3.35306806     -3.66743744     -5.02394296
  H     -5.74936067     -3.54720227     -3.02122942
  H     -7.12527150     -4.72373040     -4.55569451
  O     -4.67132214     -4.86174454     -7.25096385
  H     -6.19117233     -2.76086907     -4.31101501
  H     -5.78653289     -4.61955725     -1.18974286
  O     -7.88147570     -5.24105271     -4.87715711
  H     -5.43728830     -6.41069505     -6.40075087
  H     -4.58838425     -3.63348347     -1.02913111
  O     -5.53138997     -3.68153907     -1.21493938
  H     -6.69547389     -6.51671705     -5.51649252
  H     -2.12158087     -4.04548535     -0.33875300
  O     -2.69126313     -3.79308720     -1.06023440
  H     -4.30505277     -0.71947936     -6.90983878
  H     -2.69544080     -4.53572249     -1.69135535
          69
 Energy    -248.62960157116916     
  O     18.97885573      9.64646491    -11.15083055
  H     19.25716001     10.47432812    -10.73714559
  H     18.31862311      4.54083551    -11.43719687
  O     19.36560150     11.84864482     -9.57021057
  H     18.19409450      9.36227495    -10.65462572
  H     14.60493453      7.31319473    -10.87176940
  O     13.41311677      8.84246567    -10.81280179
  H     18.48130327     12.19189234     -9.39510485
  H     15.55533183      6.76549704    -11.96800119
  O     17.86635779      9.05926119    -13.60659554
  H     19.64475823     11.41710400     -8.75212867
  H     20.74785028      6.34379391    -11.79227482
  O     19.94032151      7.16538116    -10.45942006
  H     13.90029862      9.66756853    -10.69258032
  H     21.96219834      5.68960780    -12.49131307
  O     19.81462503      7.67160035     -7.66175853
  H     13.32650638      8.74906865    -11.77329729
  H     16.69029466     10.04711100     -6.80403733
  O     17.65664956      5.55835920     -9.97658091
  H     18.31063438      9.31605631    -12.78594052
  H     16.89794729     11.45006317     -7.43944931
  O     13.74676376      8.77162542    -13.54890277
  H     18.45891499      8.44486426    -14.06483596
  H     20.03612108      6.67434476    -14.00032209
  O     16.60451487     12.57991177     -8.96285985
  H     19.69517613      8.05877510    -10.74244319
  H     18.78585609      6.28608025    -14.80058860
  O     15.77780106     10.85195196    -13.60647467
  H     19.12466456      6.66043270    -10.32833005
  H     16.55352095      8.79386310     -8.91665827
  O     15.29511798     11.01314326    -10.82056592
  H     20.04626323      7.54054614     -8.58946752
  H     16.32877555      8.12344573    -10.29797571
  O     18.67987596      4.22642096    -12.27567131
  H     19.88034132      8.61860813     -7.48738060
  H     18.90945521     10.59726631     -6.90185733
  O     15.38408997      6.76297015    -11.01395619
  H     17.61164697      5.63088204     -9.01553120
  H     20.35105865     10.82592309     -6.38750269
  O     21.02444120      5.83967678    -12.57697913
  H     16.80135021      5.85960523    -10.31448117
  H     16.41466220      7.57756097     -7.13896158
  O     17.20699566     10.86201464     -6.73967187
  H     14.28175103      9.56608093    -13.66441655
  H     15.02856594      8.23512403     -7.47726597
  O     19.38885935      7.01928879    -14.62783578
  H     14.35309960      8.04413045    -13.74220886
  H     16.36750879      6.22519436    -14.07882480
  O     16.72659833      8.88828909     -9.86161723
  H     16.07412784     12.12108210     -9.63377022
  H     16.60703209      7.70003403    -13.65325513
  O     19.85087614     10.45210317     -7.10865150
  H     16.24024563     13.45841822     -8.88247202
  H     18.44708064      6.69600039     -7.28431085
  O     15.95250700      8.41763651     -7.25126568
  H     16.54111354     10.25460853    -13.68105083
  H     17.80939115      5.53548209     -6.48011526
  O     15.94276807      6.99717699    -13.68505454
  H     15.89510536     11.52442607    -14.27322087
  H     13.25038969      8.31238835     -9.06897796
  O     17.64329000      6.15094364     -7.18929821
  H     15.83204303     10.27237756    -10.49486964
  H     12.49967928      7.75290868     -7.85231030
  O     13.36389543      8.02750468     -8.14938731
  H     15.44397009     11.06420639    -11.77342493
  H     17.85967703      4.55753805    -13.77635402
  O     17.47297672      4.86052191    -14.61780219
  H     19.54771349      4.64011263    -12.36789738
  H     17.34890062      4.08687740    -15.16027901
          69
 Energy    -248.62938970273589     
  O     16.63351276      4.17850686     -9.05914263
  H     16.20519463      4.77962013     -8.43827650
  H     17.37819170      6.80397514    -14.08961483
  O     18.60104285      9.35378455    -12.77254891
  H     15.93477160      3.87857182     -9.65797858
  H     13.17563517      6.06774842    -15.19084659
  O     13.35302824      7.68542455    -12.53607265
  H     18.68481883      8.76472527    -12.00162184
  H     13.05710729      6.36039742    -13.67592872
  O     15.97896234     10.51359101    -12.52359704
  H     19.38804808      9.89184431    -12.79171379
  H     16.17932785      6.27741792    -11.94159669
  O     16.37101676      7.94082610     -9.17094938
  H     14.12398082      7.30533245    -12.08487639
  H     15.11188669      5.62054690    -11.04283276
  O     18.73781540      7.70179734    -10.62573203
  H     12.83892745      8.13048336    -11.85386049
  H     17.99660568      4.59136942    -10.05983713
  O     11.05482560      4.20066836    -13.05624477
  H     16.88870670     10.19508648    -12.57129329
  H     19.44938726      4.25333939    -10.46485633
  O     16.20968857      3.36098141    -16.10649668
  H     15.54279085     10.17153596    -13.31112890
  H     11.62968624      9.47556066     -9.99950527
  O     15.15216733      6.04825978     -7.46833557
  H     16.04184663      7.47387919     -9.95640476
  H     13.16489607      9.32952772    -10.14256389
  O     13.70938470      7.27024390    -16.55954918
  H     16.07172364      7.41203157     -8.42306093
  H     12.47035470      5.67470318     -9.46591286
  O     16.30060326      6.03828159    -16.71238806
  H     18.83742503      6.74362213    -10.63952146
  H     12.65367162      7.20843735     -9.35086264
  O     17.30946822      7.63719699    -14.58099512
  H     18.02153602      7.88214151    -10.00094152
  H     14.28407390      8.53160860    -13.85694901
  O     13.01640587      5.65084815    -14.33638549
  H     11.70009742      4.69008412    -13.59093392
  H     15.66838477      8.42473713    -14.58084392
  O     15.45713280      6.47529636    -11.33267978
  H     10.53573618      3.69074856    -13.67294375
  H     15.34220210      9.43221467     -9.64993250
  O     18.70902270      4.81185942    -10.68620154
  H     16.28586033      4.29279567    -16.37501740
  H     15.13528911     10.27979748    -10.92612169
  O     12.31599199      8.85319164    -10.22159477
  H     16.80608497      2.87491839    -16.66879527
  H     11.29215896      3.53951909     -9.97627814
  O     12.88788417      6.36664325     -8.94076212
  H     14.32184096      6.15317271     -7.96731471
  H     11.51709381      4.18761716    -11.35992789
  O     14.79988070      8.85572310    -14.61022318
  H     14.91567594      6.02990107     -6.54500854
  H     17.86644113      5.04618205    -12.32160462
  O     14.71871009     10.02307883    -10.09073870
  H     14.05716725      7.93960921    -15.94435377
  H     16.64960895      4.73163738    -13.27286548
  O     11.85323173      4.15031138    -10.44866327
  H     13.24551531      7.74267990    -17.24583543
  H     13.66531237      3.82368647    -10.76601404
  O     17.34143985      5.37368394    -13.06314160
  H     15.41713066      6.41441286    -16.80208991
  H     14.74796666      3.64675984    -11.87962860
  O     14.61468712      3.80854255    -10.93462301
  H     16.77318342      6.62562855    -16.10891856
  H     14.37449356      4.44028586    -13.91564662
  O     15.07302266      3.81668232    -13.67546871
  H     17.83873720      8.27661170    -14.08847793
  H     15.44728798      3.49485191    -14.50940992
          69
 Energy    -248.62938272042567     
  O     -4.28787510      4.45809639      3.87241060
  H     -3.72699736      4.48565935      3.07628541
  H     -2.47880130      3.07938237     -1.55166548
  O      0.63727077      2.21289027     -0.60131250
  H     -4.33199637      5.35107481      4.20626436
  H     -4.05540868      5.02201928     -1.53797050
  O     -0.90681817      0.12232278      2.56689785
  H      1.32487947      2.54980033     -1.16991702
  H     -4.57772807      3.87336387     -0.63989367
  O     -4.74386139      0.46732879     -0.03230397
  H     -0.20845627      2.37221612     -1.06016097
  H     -5.73481797      3.44293754      3.25009014
  O     -2.76958982     -2.95814104     -2.18185377
  H     -0.43767034      0.68624530      3.19236222
  H     -7.27186097      3.35117432      3.21710574
  O     -0.16433440     -0.42859042     -0.00670785
  H     -1.68668188      0.63159902      2.28964414
  H     -1.78778800      4.16190809      1.66962659
  O     -6.56796576      0.14007719      3.53515992
  H     -4.97452419     -0.29248644      0.52014127
  H     -3.03616195      4.41134742      0.74497550
  O     -2.47336983      2.63429121      5.23631355
  H     -4.02058795      0.19726728     -0.61423343
  H     -5.59722924      2.04722652     -0.09555585
  O     -2.53426999     -0.23724402     -1.52630426
  H     -1.99068684     -3.10435666     -1.61363920
  H     -6.15049020      3.02884785      0.95495408
  O     -5.14126290     -1.60285589      1.73172868
  H     -2.64283364     -3.48493465     -2.96625261
  H     -3.22208831     -1.18497909      3.99656597
  O     -2.14496244     -4.02281017      1.92882034
  H     -0.36342936     -0.31429415      0.93429223
  H     -1.99356483     -1.23433977      3.09125691
  O     -1.76861973      2.47491791     -1.79528962
  H      0.25934430      0.39402559     -0.28005925
  H      0.20922630      3.10575636      1.03819825
  O     -3.77279214      4.33097693     -0.94507204
  H     -6.27751468     -0.47203488      2.84594661
  H      0.03961700      3.13473323      2.58418905
  O     -6.47815171      2.98548741      2.82993846
  H     -6.57662103      1.02236020      3.14566377
  H     -0.84817614      2.36571344      4.63084937
  O     -2.74944171      4.29161856      1.65829328
  H     -3.05783398      3.30964903      4.87550895
  H      0.66304460      2.26362170      4.94021310
  O     -5.87079691      2.96800599      0.03455638
  H     -2.99123003      1.81692357      5.20907392
  H     -4.96182009      0.30929683      4.38810898
  O     -2.74944087     -1.76433604      3.38442182
  H     -1.74070246     -0.31561971     -0.97778328
  H     -3.72637477      0.85914658      3.65517117
  O     -0.13097028      3.62940393      1.77371518
  H     -2.69354791     -1.11413341     -1.89673396
  H     -3.95998442     -3.45228137     -0.72949954
  O      0.02183327      2.16503804      4.24157465
  H     -5.05388064     -2.36346618      1.13755062
  H     -3.63754732     -3.94099941      0.69155438
  O     -4.00993641      0.44886608      4.48734848
  H     -4.35637904     -1.62107161      2.29229205
  H     -1.09479483     -3.46890009      0.42562988
  O     -4.36655466     -3.67815752      0.11539118
  H     -2.37090293     -3.28371183      2.51693398
  H     -0.37881722     -2.27731763     -0.26427439
  O     -0.72513480     -3.16743290     -0.41362818
  H     -1.97981403     -4.77593330      2.49128105
  H     -3.73894763      1.20451838      1.28705976
  O     -3.17977222      1.52224260      2.00736544
  H     -2.15223706      1.59042144     -1.85605691
  H     -3.03056640      2.46422496      1.86831281
          69
 Energy    -248.62931884388070     
  O     12.05558373     12.59630843    -12.32829536
  H     11.70212036     11.72009773    -12.52354464
  H     18.62788399     12.37279613    -13.70804756
  O     19.65257571      7.28742598    -10.49927437
  H     12.38029450     12.56140498    -11.41991756
  H     15.92681009     10.68155015    -12.20076704
  O     17.35038247     10.65971095    -11.08605369
  H     18.70111661      7.47662368    -10.51850138
  H     14.86646655     11.43580477    -13.07710832
  O     12.79887270      7.95078727    -14.37039257
  H     19.74617876      6.46140656    -10.03093880
  H     14.85237646     10.74777021    -15.97100851
  O     16.58246294      7.08391946    -13.39286487
  H     18.02856801     10.70130138    -11.77533080
  H     14.63219735     12.19189800    -15.46826947
  O     14.00813454      6.27976314    -12.47520170
  H     17.24807611      9.72714493    -10.85339366
  H     13.98214784      8.21552206    -10.08389665
  O     14.29353845     12.97399619    -13.85330513
  H     13.09331718      7.30436159    -13.71069690
  H     13.95624915      7.11064493     -8.99922601
  O     17.88424784      9.66680006    -15.57741663
  H     12.23331350      8.57598334    -13.90586628
  H     20.47726603      8.06494153    -11.84707971
  O     16.97212406      7.90117739    -10.78690739
  H     17.46186533      6.99034106    -13.78694277
  H     21.79583882      8.42337918    -12.57250547
  O     17.54049713     12.23594736    -16.69560950
  H     16.09023310      7.68295180    -13.96705094
  H     17.02529040     14.03239762    -13.13514302
  O     19.06242816      7.28739164    -14.57417930
  H     14.91615968      6.32543975    -12.80276739
  H     16.53716219     15.41916723    -12.65319402
  O     18.17482653     13.14567712    -14.06759531
  H     14.06385160      6.51709032    -11.54360740
  H     16.02912555     13.51165064    -11.04733528
  O     15.12853904     10.57111691    -12.73297436
  H     14.88769199     13.61588192    -13.44628704
  H     16.44990106     12.15751975    -10.43797176
  O     14.94540865     11.67244562    -16.22337756
  H     13.45202570     12.97523645    -13.37271156
  H     14.20655918     12.54679528     -9.91549567
  O     14.38759407      7.37568234     -9.80728400
  H     17.88576471     10.49344209    -16.07551420
  H     13.03236450     12.76925888     -8.93321904
  O     20.84714242      8.49633728    -12.63646925
  H     16.95728174      9.41058028    -15.47567429
  H     18.64736736     10.25754241    -14.00840796
  O     16.32660836     14.48953769    -12.63204770
  H     16.15465125      7.67668069    -10.32770001
  H     19.79623724      9.98551490    -13.00867100
  O     15.84454878     12.90219814    -10.32205685
  H     16.85590832      7.62949141    -11.71094563
  H     10.49440673      9.43280746    -12.30302939
  O     13.28159891     12.30309101     -9.72622968
  H     16.58168257     12.09144014    -16.59354037
  H     11.97095927      9.65536599    -11.90704812
  O     19.09670925     10.61293371    -13.22797786
  H     17.67508489     12.59621538    -17.56766453
  H     14.00293434      9.94072795    -11.50297843
  O     11.32325759      9.78879727    -12.61746357
  H     18.78534152      8.05296265    -15.09618062
  H     13.30735390     10.55253020    -10.26502156
  O     13.40309310      9.73327148    -10.76844205
  H     19.74980771      7.60984943    -13.98012680
  H     15.22712165      9.59696399    -14.16802735
  O     15.20604459      9.04433535    -14.96703030
  H     17.99158080     12.93664873    -14.99197137
  H     14.34108721      8.60681653    -14.95533434
          69
 Energy    -248.62927010666951     
  O     15.25384459      9.89972110    -16.40393730
  H     15.91694016      9.57207160    -17.03890691
  H     21.08129062      4.51717074    -14.90014992
  O     17.18904413      5.89741100    -11.43942345
  H     14.89587516     10.70309190    -16.77327876
  H     18.18348290      7.88460764    -15.65185513
  O     20.03529383      6.33925363    -17.28788505
  H     18.08593150      6.08158586    -11.75344945
  H     19.21135688      8.91083964    -15.12523259
  O     17.79740193      6.32996104    -19.11459245
  H     16.64908916      6.63083130    -11.76832887
  H     15.92580820      6.93365387    -15.56648256
  O     12.66460838      5.98251723    -10.65057946
  H     19.37580373      6.24265943    -17.98368362
  H     17.04232646      5.89514183    -15.22194869
  O     13.84787224      4.23197439    -14.17220829
  H     19.80681112      7.16978831    -16.84327060
  H     13.69347198      7.38524875    -15.02156664
  O     15.75443731      7.81221925    -12.78475749
  H     17.86737076      6.06871444    -20.02927987
  H     14.37431071      8.32327689    -16.07467410
  O     17.60743965      4.14532315    -15.25557403
  H     17.29339735      5.62938965    -18.66421770
  H     13.98646284      2.59530474    -11.17089016
  O     12.54222150      3.35193078    -11.84262026
  H     12.18532504      6.33723744     -9.90657066
  H     14.78681749      1.47413419    -10.46378393
  O     19.27402075      9.50417135    -13.37773239
  H     13.53548492      5.70419292    -10.31380975
  H     12.99153749      4.80316097    -17.45976158
  O     16.45004735      4.40069305    -17.77422062
  H     13.88174829      4.27617940    -15.13396294
  H     13.83555535      5.83745606    -16.67782558
  O     20.25169031      4.98390377    -14.95896407
  H     14.73722683      4.05360929    -13.83539527
  H     19.48220788      7.59676497    -12.92769774
  O     18.92553716      8.44996472    -15.92112532
  H     16.21697765      7.47013192    -13.56702873
  H     19.79928112      6.18100486    -13.47531350
  O     16.79227530      6.82561566    -15.15733070
  H     14.83632644      7.52471472    -12.86448412
  H     16.62321924      4.46491261    -12.39560836
  O     14.09157541      7.41526442    -15.90220924
  H     18.54796869      4.31276262    -15.10875889
  H     15.91035777      3.09922447    -12.22790436
  O     14.87133234      2.33922521    -10.85467963
  H     17.22445261      3.83980195    -14.42207747
  H     15.06878668      4.07354080    -10.00147973
  O     13.78067247      4.90019756    -16.93187037
  H     12.83824223      3.56179975    -12.73951594
  H     15.88599382      5.36040011    -10.21268822
  O     19.50732147      6.66195649    -12.69264617
  H     12.40591784      4.20344080    -11.40926080
  H     13.42127212      5.88797036    -13.60588949
  O     16.28207586      3.70074531    -12.88410566
  H     18.36163278      9.82298089    -13.49706572
  H     12.90000549      6.65927797    -12.38218755
  O     15.07211030      5.02043925     -9.81700004
  H     19.74282753     10.18837042    -12.90748993
  H     16.24772852     10.18135613    -14.69342885
  O     13.22005031      6.78078590    -13.28511796
  H     16.89226111      4.17434586    -16.94399483
  H     16.25576053      9.49078700    -13.31996573
  O     16.66893508     10.20468055    -13.82768176
  H     15.51449973      4.49451533    -17.56184404
  H     17.29144733      8.06964759    -18.48349001
  O     17.17894457      8.90590712    -18.01636055
  H     20.24055862      5.42839347    -15.82578602
  H     17.89322964      8.92369666    -17.36265727
          69
 Energy    -248.62925656155238     
  O     -7.56709298     -2.76981508      6.11715605
  H     -8.29150093     -2.19145179      6.38078751
  H     -4.35051563      0.83542876      1.96856370
  O     -9.49874046     -2.89973779      2.09133585
  H     -6.76306582     -2.29278672      6.35650620
  H     -6.97716911     -1.12138299      3.16653278
  O     -7.62897216     -4.26040218      3.82598259
  H     -9.96556327     -2.35439754      2.74038946
  H     -8.45293663     -0.78736849      3.57697907
  O     -5.42532546      0.68702151      0.49578364
  H     -8.92181355     -3.46999805      2.61110161
  H     -4.75055572     -1.14552045      7.47150333
  O     -7.12065635      0.89336985      5.78159459
  H     -7.63768606     -3.76480998      4.66399968
  H     -4.84016536     -1.10936847      5.92494389
  O     -5.58875301      5.26524854      1.03554652
  H     -7.65682054     -5.18562176      4.05513066
  H     -1.21120072      3.34715646      1.91138572
  O     -9.37376572     -0.58874586      6.69057604
  H     -5.45111231     -0.22777856      0.19056545
  H     -2.62828102      3.74747844      2.39276460
  O     -4.08493219     -1.22336088      4.40342393
  H     -6.33765275      0.93380301      0.69721561
  H     -8.39014911      2.38678375      5.20697127
  O     -4.22505028      3.19469087     -0.08312242
  H     -7.25495441      0.47660224      4.91214647
  H     -8.49708790      3.34731060      4.00971550
  O    -10.25459609     -1.07483671      4.02214485
  H     -6.48816520      0.33098996      6.25061675
  H    -10.16169947      1.97940553      3.61430178
  O     -5.88856146     -2.03634503     -0.12267663
  H     -5.13455023      4.54999944      0.55457159
  H     -9.98239499      1.45345162      2.18554524
  O     -3.79265356      1.00078226      2.74181543
  H     -5.68339521      5.99242160      0.42657651
  H     -6.39158330     -3.21610996      2.94113614
  O     -7.57206487     -0.41218085      3.43940720
  H     -8.65880597      0.02599540      6.46831787
  H     -5.81507187     -2.45408871      1.69302111
  O     -5.35983051     -1.03300896      6.74735860
  H     -9.85804932     -0.19388862      7.41239842
  H     -8.89318620     -1.87935392      0.73295080
  O     -2.12813254      3.08987861      1.87620731
  H     -4.60407293     -1.77748765      3.80392811
  H     -8.55019503     -0.40901673      0.35015080
  O     -9.01515310      2.91933140      4.70565819
  H     -3.83774990     -0.44928316      3.88148543
  H     -4.40706997      5.09681893      2.56042937
  O    -10.56851359      1.40685115      2.94631555
  H     -3.41097969      3.13805226      0.43256519
  H     -4.32037114      4.17112086      3.79130537
  O     -5.83556497     -2.47838901      2.65757711
  H     -4.63019986      2.31918308     -0.03648486
  H     -5.86170779      2.13468094      4.97027657
  O     -8.45915567     -1.32374873      0.06629556
  H    -10.51363073     -0.21529701      3.65167740
  H     -4.82283581      2.02111478      3.82149464
  O     -3.79812500      4.75841038      3.22925838
  H    -10.15013934     -0.95805165      4.97187094
  H     -7.90266196      0.69954584      2.09610883
  O     -5.36289726      2.64732744      4.32693174
  H     -5.70426488     -2.55065902     -0.90335055
  H     -7.86493642      2.18266750      1.65415556
  O     -8.06205491      1.28848604      1.34001597
  H     -6.84239787     -1.82796863     -0.13599849
  H     -6.59310119      3.29722034      3.16445189
  O     -7.27623123      3.64271071      2.57041847
  H     -3.09857093      1.61147488      2.46394031
  H     -6.84046336      4.30151750      2.01686143
          69
 Energy    -248.62917721175893     
  O     14.77201177     12.51550219    -15.11976371
  H     14.31882378     11.87064483    -14.56121638
  H     14.84991325     12.23644437    -10.23909206
  O     19.36206189      9.90466332    -11.25888577
  H     15.70819993     12.42157103    -14.88808608
  H     18.95206290     16.32967546    -12.74145256
  O     20.08191430     12.60070077    -11.66640812
  H     19.64483326     10.82651682    -11.20684666
  H     20.30085841     16.71437136    -13.37452826
  O     14.06353935     10.60185967    -13.26397048
  H     19.73966457      9.57020780    -12.07998175
  H     20.52032719     12.13221634    -14.99692416
  O     16.68158336      9.29084863    -11.07201988
  H     20.59902494     13.36043774    -11.37048408
  H     21.68971711     12.68859364    -14.13849487
  O     17.80068926      9.33462976    -14.98674626
  H     20.38588568     12.38827768    -12.55921790
  H     16.13891573      8.56145949    -12.50662385
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  H     14.56059371      9.78410797    -13.37475015
  H     16.27903880     14.36251932    -17.62883548
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  H     17.63025744      9.48555566    -11.04715781
  H     16.11446716     15.75150781    -18.28743064
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  H     21.41405840     17.13259882    -15.69612791
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  H     16.03400419     12.37421731    -11.22017442
  H     18.34424152     13.06666100    -11.67550703
          69
 Energy    -248.62908491441198     
  O     -7.60808583     -2.25808320      5.76493449
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  H     -0.93637472      3.14483694      0.85807893
  O     -9.15223609     -0.03083820      6.44729815
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  O     -4.85804724     -1.45919469      6.10590943
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  H     -4.94728352      2.28256481      4.53048639
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  H     -6.41869035      4.77872751      2.09469240
          69
 Energy    -248.62901277085518     
  O     11.75749659     11.16664786    -14.98885537
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          69
 Energy    -248.62896190988522     
  O     10.30948634     10.32977245    -10.08401292
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  H     12.49163930      8.53593512    -16.97276221
          69
 Energy    -248.62879102814088     
  O      1.04830689      2.33761657      2.65401625
  H      1.73031723      2.94510743      2.92628287
  H     -2.05547293      0.17804729      6.00860504
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  H     -5.77956336     -1.52723901      4.02038239
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  H      0.13736355     -1.77917721      2.49421413
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  O     -5.37499338     -2.47923280      2.62510434
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  H     -4.64891076     -3.10344230      2.51853995
          69
 Energy    -248.62869758782693     
  O     -2.02091406     -3.69500193     -0.00512241
  H     -2.93291291     -3.94558788      0.19008965
  H     -0.81238325     -6.69873327      0.81831030
  O     -1.95535962      0.55113318      6.59185506
  H     -1.57608973     -4.45542321     -0.40143965
  H     -0.14022488     -4.39743529      2.61974779
  O      2.39427709     -1.54856727      2.11246720
  H     -1.09945359      0.12591248      6.45730495
  H     -1.11141148     -3.69087927      1.60241615
  O     -2.45586590     -0.15896879      2.32369196
  H     -2.52356863     -0.12788482      6.97657890
  H     -1.97118215     -3.92316749      3.67582659
  O     -3.64772477     -1.65381779      7.31853438
  H      2.16880350     -1.41991823      1.18137688
  H     -2.30041831     -3.78010073      5.17769759
  O      0.33574737     -1.02868951      6.04106086
  H      1.60327648     -1.28529127      2.60010956
  H      4.03818627     -4.23820780      2.34871425
  O      0.37170057     -5.28863021      5.95663411
  H     -2.75204960      0.51843882      2.94389560
  H      2.87509686     -3.22166476      2.28280952
  O     -4.90455969     -0.81335387      5.05893993
  H     -3.06152258     -0.90719959      2.42864181
  H     -3.70835127     -2.89553519      3.40960300
  O     -1.18792074     -1.03290812     -0.08854217
  H     -4.14674437     -1.42331427      6.51428004
  H     -4.48536756     -2.88908684      2.07877653
  O      0.94888825     -5.70208954      3.25374209
  H     -4.28521335     -1.71873708      8.02477375
  H      2.22673935     -4.33063262      0.54412473
  O     -3.50818110     -6.09742777      2.58294995
  H      1.26871519     -0.92875700      6.21031771
  H      1.62294537     -3.30691778     -0.43639944
  O     -1.02984489     -7.00178195      1.70755222
  H      0.22343011     -1.05239325      5.07403529
  H     -0.83680642     -0.66226371      3.04289691
  O     -0.70630650     -3.62840954      2.47582208
  H      0.30679882     -5.99237431      6.59959285
  H     -0.22346510     -2.06924236      3.07603233
  O     -2.68217329     -4.02459536      4.32861474
  H     -0.24062274     -4.60361409      6.26094636
  H      0.50063077     -1.23993032     -0.38270452
  O      3.09033690     -4.17128191      2.26789105
  H     -4.51830413      0.04064174      4.82975137
  H      1.70325359     -0.89611087     -1.29041631
  O     -4.19787412     -2.32013821      2.80064881
  H     -4.83935098     -1.35015816      4.25804551
  H      0.40016230     -5.29463445     -0.66424300
  O      1.72283461     -4.25369569     -0.27362512
  H     -1.55324140     -1.92728538     -0.14828214
  H     -0.24452762     -6.30385192     -1.64469780
  O     -0.08104157     -1.15855920      3.38009573
  H     -1.62984865     -0.60934580      0.65641919
  H     -2.78087415      1.23808804      5.20443181
  O      1.44217868     -1.43048456     -0.54539698
  H      1.77003735     -5.25640284      3.00922888
  H     -3.50827488      2.43192518      4.54195899
  O     -0.40466659     -5.81491438     -0.84224070
  H      0.80803484     -5.57680279      4.20351817
  H     -0.73786677     -2.46149764      6.49108395
  O     -3.31741618      1.50377747      4.43641672
  H     -2.67478573     -6.49611919      2.29066668
  H     -2.16491075     -2.74119359      7.00754179
  O     -1.36792195     -3.17289019      6.67240013
  H     -3.29476700     -5.54883851      3.34778952
  H     -4.27134454     -5.05208473      1.45925670
  O     -4.60408799     -4.36395528      0.85193927
  H     -0.29368297     -6.72337864      2.26790561
  H     -5.38914547     -4.71314043      0.44033540
          69
 Energy    -248.62858543671126     
  O     17.06468711     11.17625907     -8.79252615
  H     16.75020329     12.02790811     -8.50104011
  H     17.05958128      9.72461450     -7.52842878
  O     18.63885850      5.74400648     -9.06802963
  H     17.95159967     11.31816311     -9.17031614
  H     16.48991577     10.08592933    -10.15288972
  O     19.74978813      4.10273234    -12.39791721
  H     18.24398684      5.05062004     -9.61349185
  H     15.70682867      8.82429042    -10.65738432
  O     19.53567344      6.82214123    -13.19133977
  H     18.64657482      6.54757200     -9.61640114
  H     20.07471285     10.71015355     -9.58238482
  O     22.79257404      7.56348669    -10.59282422
  H     18.93321206      3.95998382    -11.89044866
  H     19.61765535     11.37085441    -10.89305347
  O     17.42423744      4.03396671    -10.94008093
  H     19.92007058      3.29673205    -12.87900155
  H     16.87042553      7.55319306    -15.42635613
  O     21.47652883      8.79322039    -12.81796229
  H     19.61250139      5.87535337    -13.02477529
  H     17.23953894      8.39750032    -14.18019122
  O     19.56726391      7.74984397     -7.07578398
  H     18.77127102      6.96545546    -13.76414810
  H     20.89320968      4.85603781    -11.03426694
  O     14.83283142      4.25167344     -7.37008183
  H     23.69920073      7.35989105    -10.37915097
  H     20.48567899      5.43707072     -9.67984879
  O     20.79219618      9.03551259     -9.25330188
  H     22.28663463      6.73958357    -10.48042894
  H     14.38314011      5.06289763    -11.92556048
  O     18.70604200      7.91523199    -10.71546318
  H     16.99074742      4.70304264    -11.49483908
  H     14.08298026      4.17110359    -10.71908311
  O     17.03726580      8.93517488     -6.97712069
  H     16.71988548      3.53218284    -10.51255304
  H     14.23265175      6.55112035    -10.49037074
  O     16.37981546      9.47651381    -10.89439728
  H     22.02306275      8.43830038    -12.10737872
  H     15.26053522      7.03843997     -9.43354982
  O     19.50138314     11.40418351     -9.93601688
  H     20.87758178      8.07670181    -13.06969422
  H     15.79839990      6.53560488    -11.72493162
  O     17.16635686      7.48676910    -14.52310897
  H     19.37136980      6.91737110     -7.51640219
  H     16.39921363      6.47014525    -13.16380068
  O     21.23868260      5.33760498    -10.27362122
  H     20.09866948      8.25392388     -7.70802633
  H     20.54084173     10.26549654    -12.75470475
  O     13.71886943      4.89258012    -11.24584681
  H     15.27022638      5.11195180     -7.48007250
  H     20.38958964     11.71826449    -13.25698484
  O     14.84671145      7.26667459    -10.27817178
  H     14.37334773      4.29400793     -6.53573425
  H     16.35989938      7.42333730     -7.52185328
  O     16.12455814      5.93555877    -12.41076957
  H     21.59495806      8.64349985     -9.61463468
  H     17.02582580      6.22932409     -8.25199416
  O     19.95744726     11.04479001    -12.73737299
  H     20.06384598      8.69833668     -9.79902237
  H     18.28226945     10.33593904    -13.23253135
  O     16.17758311      6.56699732     -7.93993197
  H     18.97032761      7.60521540    -11.59054504
  H     16.96756562      9.86945973    -12.56528947
  O     17.43839205      9.90378832    -13.41045664
  H     17.92753004      8.47810895    -10.80855224
  H     15.04165806      3.33174742     -8.83424083
  O     15.17365675      2.89875521     -9.69609044
  H     17.95250918      8.62675613     -6.89568406
  H     14.86388700      2.00154103     -9.60185496
          69
 Energy    -248.62858351485400     
  O     16.01689974      9.27845830    -16.00162549
  H     16.60366810      8.83132255    -16.62318329
  H     16.41483010      1.07026916    -16.82893721
  O     13.33954908      5.74237793    -17.49110344
  H     16.56711960      9.53429366    -15.25090298
  H     19.52204427      4.30412773    -14.95640949
  O     17.96846364      5.72938946    -13.14914652
  H     12.48790698      5.94219831    -17.87079749
  H     19.89645140      5.30495980    -16.06591764
  O     19.74899541      5.53101704    -17.94556075
  H     13.50019091      6.40543955    -16.79726491
  H     18.45824977      6.85496632    -17.73410215
  O     17.79140087      3.81518746    -18.58084381
  H     17.67838977      4.86714821    -12.82135358
  H     17.29119601      6.80752862    -16.72133026
  O     13.02910458      6.34389393    -10.28883473
  H     18.71898436      5.58165493    -13.74041677
  H     16.90279198      5.89022830    -14.64086991
  O     14.38108025      4.05024999    -13.29240436
  H     20.47438547      5.46118892    -18.55978993
  H     15.63852241      6.50842569    -15.34310557
  O     16.63025924      7.83200976    -12.10405623
  H     19.09793941      4.84877493    -18.19571738
  H     14.60476209      8.24469402    -15.65596740
  O     18.60233881      2.78872147    -14.64287321
  H     17.03625992      4.38464797    -18.79038459
  H     13.90397329      7.37643389    -14.54131661
  O     13.63073973      3.71142632    -10.59537291
  H     17.46859107      3.12137969    -17.99642860
  H     16.75829116      3.57978412     -8.84965337
  O     19.45907459      8.07993847    -15.19439144
  H     12.23878961      6.50561304     -9.78145094
  H     16.25445313      4.79440989     -9.66422128
  O     16.73757390      1.95385350    -16.66896524
  H     13.14184794      5.37744505    -10.33904777
  H     14.15010153      4.24692054    -16.62345375
  O     19.85338181      5.20472407    -15.10710796
  H     14.37347349      3.86243589    -14.23851219
  H     15.48043324      4.45929015    -15.88661529
  O     17.72269361      7.37528463    -17.38276602
  H     14.31486633      5.00994439    -13.19096131
  H     16.03194721      3.47541023    -12.73209783
  O     16.39712104      5.92173924    -15.46209707
  H     16.96283860      8.60844844    -12.56764957
  H     16.83826979      3.35365596    -11.41969682
  O     14.02720124      7.48212492    -15.49468280
  H     17.17964444      7.09031595    -12.40636219
  H     14.89225884      6.57508109     -9.79193181
  O     16.35807704      3.82609686     -9.67926030
  H     18.07547299      2.77892354    -13.83396898
  H     16.20615241      7.06789341    -10.42785338
  O     14.79356686      3.79489797    -16.06545357
  H     18.03087668      2.44153182    -15.33776710
  H     14.96599160      5.78718281    -18.54265015
  O     16.91489472      3.29157811    -12.38037929
  H     14.50359628      3.59430027    -10.19984406
  H     16.33803913      6.48793099    -18.59821773
  O     15.85254828      6.50369976     -9.72817087
  H     13.76722424      3.65065384    -11.55091484
  H     14.99242003      7.23336289    -12.57888478
  O     15.82810258      5.76202980    -18.97358838
  H     18.94997370      7.98791422    -16.00924906
  H     13.62846958      6.77351186    -12.00225155
  O     14.13771303      6.84570090    -12.81889211
  H     19.78838825      7.19298700    -15.01128076
  H     18.47164840      9.16457999    -14.22209859
  O     17.81017589      9.74560105    -13.80573737
  H     15.96264261      2.50460233    -16.46930370
  H     18.24734693     10.57486375    -13.62905757
          69
 Energy    -248.62848306464599     
  O     13.72759184      9.49774731    -17.16744634
  H     14.17339920      9.55930720    -18.00806506
  H     13.19165348     12.40272957    -14.13102710
  O     12.12092888      8.79187563    -10.96480220
  H     13.24809963     10.33660053    -17.04466076
  H     17.07943143      9.97329210    -11.78747441
  O     14.45786325      8.78646893    -14.55568453
  H     12.68248175      9.57453844    -11.08627391
  H     17.58079882     10.64939255    -10.49764937
  O     12.53251095     11.08141607     -7.93072303
  H     12.28298287      8.48726064    -10.06524386
  H     16.60531900      7.63249166    -12.46274155
  O     12.19587375     11.72675039    -16.78788123
  H     13.55772256      8.67018149    -14.21399500
  H     15.50218929      8.49931586    -13.08520903
  O     11.84275723      8.55485804    -13.68172239
  H     14.36370613      8.93062707    -15.50562620
  H     13.26276599     13.99559689    -11.09842744
  O     15.53182011      8.48341743     -9.43686524
  H     11.87050460     11.61872383     -8.37987962
  H     11.83712998     13.46268881    -10.72440296
  O     13.65189031     11.08148664    -11.22422529
  H     13.38605783     11.48662095     -8.14216220
  H     15.91985109     12.69062391    -13.07487409
  O     12.90276098      8.42531745     -8.31688776
  H     11.28659164     11.40332043    -16.82106451
  H     16.98801881     12.33912335    -12.04292432
  O     15.03265757     14.38495013    -10.53943405
  H     12.24782049     12.28801859    -16.00474679
  H     11.02274290     11.63256635    -13.99187741
  O     10.00989068     10.67923475    -11.12816705
  H     11.91248039      8.40896819    -12.72869274
  H      9.95596907     10.80880736    -14.76425160
  O     12.34210711     12.86979288    -14.16771179
  H     11.34770475      9.38058702    -13.78145790
  H     15.78377836     11.65416711     -8.77514151
  O     17.58050463     10.72862141    -11.45910657
  H     14.63354475      8.39040219     -9.09870693
  H     15.07180373     12.92653001     -9.35911032
  O     16.03131979      8.37552563    -12.28275505
  H     15.49986416      8.40036530    -10.39734811
  H     14.68746480     10.59164412    -14.18630385
  O     12.44670661     13.62227156    -11.45740376
  H     14.18265900     11.25882195    -10.43774336
  H     14.42354393     11.28434835    -12.84023220
  O     16.47577579     13.08424200    -12.39115004
  H     13.10927414     11.87056626    -11.35835560
  H     10.14720725      9.54906921    -16.58384186
  O     10.36190325     10.93140902    -13.89787833
  H     12.61452905      7.93193395     -7.55418676
  H      8.88440628     10.27443003    -17.11047780
  O     14.92943804     12.08239749     -8.91292750
  H     12.73632814      9.36630471     -8.12437302
  H     17.77941828     10.17401517     -7.95440554
  O     14.65933612     11.45763098    -13.76564677
  H     15.58062465     13.96379801    -11.22856364
  H     16.61718748      9.68630093     -8.85791650
  O      9.66468632     10.39529319    -16.57692479
  H     15.38776574     15.25862774    -10.40150983
  H     10.37565889     11.97108537    -10.05603727
  O     17.18460841     10.45135461     -8.64518653
  H     10.60922724      9.93501069    -10.98927371
  H      9.91431238     13.07462242     -9.07305074
  O     10.68892882     12.68636608     -9.47121962
  H      9.97561261     10.80995795    -12.08500887
  H     11.41127191      8.09040668    -15.47209262
  O     11.26275796      8.19461586    -16.42206282
  H     12.26589187     13.32522823    -13.31957310
  H     12.10892425      8.48382202    -16.78539541
          69
 Energy    -248.62819237617214     
  O     11.50775576     10.06230584    -13.03360505
  H     10.80092380     10.66409054    -13.25139980
  H     14.94292391      5.34379648    -16.82221124
  O     15.92722724      6.50856104    -13.57945883
  H     12.11406416     10.05309097    -13.79455463
  H     20.65781406      7.23608061    -14.26097096
  O     18.01345438      9.83414706    -11.19092214
  H     15.71067627      6.14387039    -14.44469958
  H     19.41425208      7.55099975    -13.39861314
  O     18.80575531     11.93929085    -15.06684660
  H     15.87567295      7.47281051    -13.70205404
  H     15.59856489     12.01012853    -15.47158050
  O     12.69267940      7.15697190    -15.55730461
  H     17.28048163     10.39773714    -11.48079014
  H     16.95665242     12.33610432    -14.82262073
  O     14.84769039      9.13402656     -8.77221981
  H     17.94199622      9.74222278    -10.23329818
  H     15.95690072      9.85056569    -13.39147760
  O     13.98224444      7.01550746    -11.64984374
  H     19.24354358     11.54250488    -14.29213838
  H     16.61015661      9.23620048    -14.66566878
  O     15.89093313     11.21895462    -12.18636974
  H     19.41363344     12.58035122    -15.42590627
  H     17.69982315      7.48786441     -9.01795153
  O     15.97667166      8.63360017    -17.37485608
  H     12.84672356      8.10937960    -15.55212061
  H     17.88886499      6.66814271    -10.31273179
  O     14.88290627      6.27887705     -9.11102839
  H     12.21475834      6.98074219    -14.73490843
  H     12.30634199      6.99096219    -12.48286700
  O     18.12464480      9.29005362    -15.73656905
  H     14.38218403      9.48653483     -9.54094022
  H     11.33391771      8.07887308    -12.95963056
  O     15.06349348      6.09897658    -16.25263029
  H     14.71499359      8.17779570     -8.79265195
  H     20.17527767      9.69187733    -13.39448836
  O     19.97887400      7.88938913    -14.11412263
  H     14.24215878      6.66183514    -10.79010689
  H     19.36077816     10.39856433    -12.30139876
  O     16.00212974     12.38938213    -14.68280698
  H     14.62883928      6.70912370    -12.29913777
  H     17.42847942      6.87470000    -12.59836463
  O     15.87539828      9.14589638    -14.04530662
  H     15.03749460     10.87975533    -11.88125310
  H     18.04278953      8.11506210    -11.84868360
  O     17.56177806      6.61429801     -9.40623926
  H     15.77718914     11.76187303    -12.98081467
  H     16.56147202      9.33746232     -8.54643236
  O     11.52294390      7.13632700    -13.03115508
  H     16.83181339      8.78524965    -16.94768428
  H     17.76687142      9.75638260     -7.66852715
  O     19.96234855     10.56358721    -13.04140761
  H     15.66847823      7.77835637    -17.05434667
  H     15.22217531     10.22080779    -17.22652013
  O     18.20974593      7.20179300    -12.13002497
  H     14.68382650      5.55798188     -8.52003961
  H     14.70001368     11.50655437    -17.90622551
  O     17.53443672      9.33002774     -8.48856020
  H     15.85158321      6.30937700     -9.20619248
  H     12.86005199      9.98197424    -11.74292674
  O     14.83516499     11.09822859    -17.05535276
  H     18.38349595     10.21576122    -15.63849246
  H     13.84264984      8.82869056    -11.45294955
  O     13.68803996      9.77233683    -11.29448777
  H     18.78296726      8.75929243    -15.27090967
  H     13.64807600     10.39390755    -15.80354366
  O     13.36476097      9.86652321    -15.04762093
  H     14.17059616      6.41815718    -16.02249954
  H     14.18673223      9.54756666    -14.64661886
          69
 Energy    -248.62805688441759     
  O     14.54907089      5.76487799     -8.92628127
  H     15.40916431      5.60812376     -9.34160915
  H     16.81870446      9.53766237    -13.30810532
  O     14.81867664      6.74166269    -16.75110555
  H     13.89930755      5.35402385     -9.50803353
  H     14.95795219      8.66868708    -12.68113864
  O     17.68323323      8.65076010    -14.58673654
  H     14.09617495      7.10640447    -16.21042511
  H     13.63802372      8.27276602    -11.96643441
  O     14.63714561     11.94671367    -13.46432017
  H     14.41038350      6.28078879    -17.47938746
  H     13.67985482      4.80982449    -11.64922255
  O     10.47887376      7.11047615    -14.16112194
  H     18.61637483      8.59078219    -14.34669291
  H     12.73226937      3.69565668    -11.15434339
  O     19.50378694      5.06592207    -11.13564642
  H     17.34076081      7.74582602    -14.61919805
  H     20.09943867      8.19570119    -12.68152131
  O     17.01513743      8.53141101    -10.24806109
  H     14.34713461     11.44298028    -14.24855523
  H     21.12533852      8.60904950    -13.76579002
  O     12.63809102     11.45153513    -11.54365021
  H     14.92607906     12.80052317    -13.77475000
  H     15.77856985      5.47595439    -11.83866640
  O     19.31010815      5.50939605    -13.80174251
  H      9.52958299      7.13234991    -14.24274755
  H     14.76720152      6.36684454    -12.61247547
  O     13.94033587     10.47583855    -15.58137500
  H     10.66256497      6.97991837    -13.21507285
  H     16.77481474      9.20761719    -16.14358597
  O     12.93308193      7.86378911    -15.11825075
  H     19.43991272      5.13733897    -12.10543186
  H     15.73948388      8.45525118    -16.98963213
  O     16.30611398      9.87102322    -12.55619821
  H     20.12324237      4.36621854    -10.94901773
  H     16.10325086      6.16839394    -15.52828852
  O     14.22934013      8.03582402    -12.69301850
  H     16.78623627      9.06532173    -11.02311731
  H     16.14778044      5.72693965    -14.04314227
  O     12.95675896      4.61498064    -11.03078757
  H     16.28653578      8.62215905     -9.62235588
  H     19.71378578      6.97462096    -10.89344178
  O     20.26659221      8.21491182    -13.64111514
  H     11.86304964     11.92363000    -11.84147072
  H     18.85715727      8.23502177    -10.63593768
  O     15.11501241      5.46259010    -12.54426535
  H     13.33166645     11.65149591    -12.18905722
  H     11.54500221      7.52691941    -11.08438366
  O     16.12477560      9.32855320    -16.84847591
  H     19.72058719      6.37842222    -13.89303885
  H     11.67720809      6.00731502    -11.31362841
  O     16.69664203      6.03168848    -14.77858164
  H     18.44683093      5.57188587    -14.23059159
  H     17.78097281      5.40379842    -10.60903777
  O     19.69915288      7.93406073    -11.00037786
  H     13.41762126      9.67326454    -15.46804320
  H     16.96454339      6.71410730    -10.41995981
  O     11.12499564      6.77145886    -11.51653138
  H     14.71354094     10.20635938    -16.09865698
  H     14.64346073      8.67661288     -7.65486366
  O     16.89347550      5.74861666    -10.45520789
  H     12.02613763      7.60250047    -14.90724536
  H     14.59767071      7.47583433     -8.63126365
  O     14.69918856      8.44396124     -8.57818066
  H     13.39810811      7.93179530    -14.27117949
  H     12.64641376      9.80945833    -10.81745558
  O     12.70615610      8.88283522    -10.54190492
  H     15.82867953     10.65993987    -12.83878741
  H     13.34411147      8.82634618     -9.82055533
          69
 Energy    -248.62780776386927     
  O     -0.53326687     -1.99265982      0.06977825
  H     -0.07673336     -1.21768396      0.42778990
  H     -1.46879112     -6.24211577      0.96214765
  O     -2.34177028     -0.77346874      7.65544795
  H     -1.44216000     -1.72840774     -0.11985733
  H      1.70973708     -3.45840257      4.77380390
  O     -0.90260409      0.28326350      3.66474924
  H     -3.23007777     -1.11404017      7.49510227
  H      2.17289973     -4.81636682      4.17216106
  O      0.51951885     -5.41915565      6.88567233
  H     -1.74182147     -1.51322588      7.48663143
  H     -0.57228300     -3.04520915      1.57129097
  O     -4.87981142     -1.74800436      6.69390615
  H     -1.70658440     -0.05055247      3.23931649
  H     -0.54161578     -4.41983199      2.34571422
  O     -0.82213152     -2.94513575      6.78475755
  H     -1.18924565      0.74713403      4.46085705
  H     -3.38698564     -3.57770470      4.09157689
  O     -1.56060529     -6.08807251      5.02849631
  H      1.02313371     -5.88318600      7.54833272
  H     -2.36098128     -3.40690596      2.93896481
  O     -4.42516970      0.24756364      4.89428273
  H      1.15720865     -5.06522662      6.23892412
  H      2.42383596     -5.67199247      1.86499443
  O      0.60698352      0.18447876      1.32636305
  H     -4.79128194     -1.05531314      6.01513767
  H      2.84802695     -6.79369523      2.83979987
  O     -0.55965056     -6.25301432      2.48754533
  H     -5.75456024     -1.65856307      7.06258115
  H     -3.31122576     -0.71482789      1.54428776
  O     -3.77899086     -3.94786010      0.47965545
  H     -0.37551050     -2.59333615      6.00035266
  H     -3.34343546     -1.59519235      2.80744268
  O     -1.91220853     -6.09222051      0.10986653
  H     -0.37235032     -3.76779401      7.01005692
  H      3.32958579     -4.60114962     -0.24661017
  O      2.10283742     -4.31324768      4.99243968
  H     -0.87066068     -5.96586978      5.69277921
  H      1.81279134     -4.84436153     -0.16793513
  O     -0.65473939     -3.46638418      2.43662386
  H     -2.28684185     -5.51367981      5.29723468
  H      0.10160765     -1.17453155      4.29525824
  O     -3.30253292     -3.33966415      3.16077225
  H     -3.69018865      0.76088479      5.25119974
  H      0.08228463     -2.61207371      3.76337966
  O      2.23355060     -6.07169677      2.73231838
  H     -4.16289840      0.00811239      3.99574259
  H     -0.50377612     -5.03565154     -0.66394098
  O     -3.26199589     -0.67706248      2.50546654
  H      1.47215966      0.56554245      1.45544531
  H      0.00414014     -3.57388791     -0.68367429
  O      2.65551079     -5.01064264      0.28847088
  H      0.12956379      0.32024281      2.15944188
  H     -1.89507065      2.15146827      6.52362644
  O      0.43459400     -2.06039946      4.48015621
  H      0.39765979     -6.32250181      2.58969618
  H     -2.06877641      0.61952061      6.64971727
  O      0.25930325     -4.48685293     -0.87754132
  H     -0.95711728     -6.26358413      3.37303952
  H     -2.42829934     -3.58085116      6.18231876
  O     -2.00999127      1.35477066      6.01297741
  H     -3.19333170     -4.69107709      0.29401561
  H     -3.94207427     -3.29397711      6.18340832
  O     -3.27842643     -3.91762431      5.86276263
  H     -3.78602442     -3.84720825      1.44229513
  H     -3.77863073     -1.12120290     -1.00796707
  O     -3.26757020     -1.39616449     -0.25192580
  H     -2.16512198     -6.95132734     -0.21982347
  H     -3.51312357     -2.32123408     -0.06464342
          69
 Energy    -248.62762647144163     
  O     14.75997885     11.20776199    -14.96532903
  H     15.34359329     11.02087913    -15.71125609
  H     17.56592162     10.57874445    -16.92230698
  O     19.68496684     14.50154383    -16.89052068
  H     14.65719818     12.16706073    -14.93380010
  H     18.37407061     11.03684019     -9.53952540
  O     20.19523376     13.44800839    -10.55517759
  H     20.03589239     14.83114710    -16.05161972
  H     18.76826760     12.51958186     -9.72628948
  O     15.87804491     14.73237958    -12.21284158
  H     18.77369063     14.23471243    -16.71151039
  H     22.60384923     17.29168552    -12.44329804
  O     19.14633629      9.31920553     -9.86255619
  H     21.04546200     13.90020601    -10.52532949
  H     22.65169746     15.80639389    -12.04755217
  O     15.59074278     12.37873301    -10.59059865
  H     19.64773011     13.91201325    -11.20625992
  H     20.72059552     11.76390531    -11.02596998
  O     19.27165711     10.30712059    -16.57649087
  H     15.71151827     13.96717658    -11.64789001
  H     20.54030222     10.26826636    -10.67173372
  O     21.87893025     12.53597568    -14.83302844
  H     15.46971177     14.53244844    -13.06363452
  H     15.84589795     11.17269165    -11.97121892
  O     22.86289712     14.47173878    -10.78554534
  H     18.79019724      9.07609993    -10.73630785
  H     15.55474441     10.73217644    -13.45064523
  O     20.34063815     10.45116407    -13.88043876
  H     19.13259454      8.52987603     -9.32857906
  H     20.58079004     13.10786038    -17.38535614
  O     14.88438415     14.09595508    -14.85518752
  H     14.93722388     12.33983028     -9.89703071
  H     21.55424656     12.38966115    -18.35374223
  O     16.65244502     10.83752398    -17.13781997
  H     16.45831763     12.25380398    -10.16479968
  H     21.32881979     15.56459373    -13.88222594
  O     18.02969058     11.93755967     -9.50767414
  H     19.62025434     10.12842684    -15.69696887
  H     19.91900988     14.94493986    -13.70103827
  O     22.48455813     16.40952618    -12.78711331
  H     19.88981825     10.92978996    -16.98218683
  H     22.62702746     11.63730660    -11.93069589
  O     21.03560483     10.87208655    -11.23733087
  H     21.80114054     12.42671820    -15.78822861
  H     22.93052884     12.36423618    -13.25601655
  O     16.15442952     10.61723072    -12.69799549
  H     21.46832032     13.38749107    -14.62007663
  H     18.88547719      9.14346722    -13.06590451
  O     21.08466860     12.28567856    -17.53085203
  H     23.07045020     13.70823722    -11.35529001
  H     17.46245196      9.38084814    -12.51149170
  O     20.67121423     14.99682232    -14.30649365
  H     23.48762490     14.45244016    -10.06513200
  H     18.92451200     11.59717871    -13.86745936
  O     23.21818646     12.28503649    -12.33738724
  H     20.91996157     11.11633128    -14.28349161
  H     17.43862809     11.66965572    -13.41533779
  O     18.26953525      8.85790507    -12.38623854
  H     20.56034859     10.47302643    -12.93727564
  H     16.98189554     12.61704178    -16.66214514
  O     18.15549129     12.17647172    -13.81979084
  H     15.71329614     13.98237711    -15.34950008
  H     17.60741274     13.00539774    -15.31363066
  O     17.22250817     13.38076576    -16.12182269
  H     14.36836080     14.74170543    -15.33260167
  H     18.48708614     13.66236331    -12.95861991
  O     18.59704877     14.52345376    -12.52500217
  H     16.42360593     10.37814621    -17.94159180
  H     17.69536901     14.82126286    -12.34552732
          69
 Ord_Energy   -248.627213    
 O   -9.41747856       1.41477430     -0.352623552    
 H   -9.82909393      0.601630628      -3.58172394E-02
 H   -9.14142609       1.92550421      0.418733388    
 O   -1.11017466      -2.32750320       2.59808636    
 H  -0.926423550      -1.45094371       2.23711848    
 H   -1.00035310      -2.94066930       1.86133981    
 O   -6.78820229     -0.677274466       1.39300823    
 H   -6.78883839     -0.188491523      0.561047912    
 H   -6.72473621      -1.62129819       1.19672120    
 O   -1.16963685      -3.89184690      0.162040874    
 H  -0.568305731      -4.50524473     -0.250531286    
 H   -1.11179614      -3.05785322     -0.338802665    
 O   -8.29796124      -2.65627909     -0.926166236    
 H   -7.84064817      -3.11563873     -0.208573252    
 H   -9.02702236      -2.17217231     -0.520948470    
 O   -3.88740969      -3.48739791      0.736961842    
 H   -3.82064128      -3.16892338       1.64949000    
 H   -3.00733495      -3.79798245      0.491522163    
 O   -10.3718519      -1.18089700      0.455172092    
 H   -10.0427198      -1.13836813       1.36987412    
 H   -11.2888155      -1.43964982      0.504881382    
 O  -0.789363861      0.204661369       1.28110719    
 H   -1.70978987      0.518319309       1.25366473    
 H  -0.243645236      0.968452930       1.44894922    
 O   -6.03067923      -3.93777966       3.91574049    
 H   -5.87425804      -4.77833366       4.33986282    
 H   -5.16296959      -3.51126885       3.81318426    
 O   -5.62058115       2.65328932      0.570363343    
 H   -4.78757286       2.23798251      0.814180613    
 H   -5.98436213       2.08898377     -0.129694715    
 O   -3.44721055      0.821190894       1.12268138    
 H   -3.72832203      0.203606069      0.431717724    
 H   -3.89206529      0.561259389       1.94260740    
 O   -1.21906734      -1.44588900      -1.01056659    
 H   -2.16234970      -1.27383506      -1.13516355    
 H  -0.931964457     -0.830104232     -0.324189812    
 O   -7.85643911      -2.01840138       4.99551249    
 H   -7.34015799      -1.25493085       5.28161287    
 H   -7.22348785      -2.68473768       4.70154190    
 O   -4.02591467      -1.16665256     -0.805836439    
 H   -4.00668716      -1.97709930     -0.276603490    
 H   -4.75722694      -1.26090431      -1.42612267    
 O   -3.71805406      -2.57162642       3.37693667    
 H   -2.75940394      -2.49830842       3.26005292    
 H   -4.08102942      -1.67427254       3.40352750    
 O   -8.09078884       3.07184792       1.65321517    
 H   -8.29376698       3.99907351       1.55227852    
 H   -7.17825603       2.95714164       1.33524489    
 O   -8.47024632       1.59130394       4.00890064    
 H   -8.32415962       2.16706181       3.24744129    
 H   -8.89736366      0.798827410       3.65892553    
 O   -6.50087833      0.498301208       5.49717951    
 H   -6.41647482      0.927464664       6.34400702    
 H   -7.20558548      0.967036545       5.01281500    
 O   -4.91149473      -9.37155411E-02   3.28426147    
 H   -5.34711790      0.177469626       4.10088634    
 H   -5.61270285     -0.256021380       2.63271523    
 O   -6.86051655      0.799010932      -1.03175294    
 H   -7.80491829       1.01042318     -0.964800894    
 H   -6.74649954      0.100073919      -1.68356133    
 O   -9.12585163     -0.898589253       2.84334517    
 H   -8.84759045      -1.38658011       3.63165760    
 H   -8.31552219     -0.736243010       2.33489609    
 O   -6.34373426      -1.55115545      -2.44927955    
 H   -7.06648540      -1.98397708      -1.95985842    
 H   -6.41983366      -1.83055151      -3.35750937    
 O   -6.61674452      -3.48581862       1.15738750    
 H   -5.70782328      -3.62836361      0.856056869    
 H   -6.61882591      -3.71309352       2.09488869    
          69
 Energy    -248.62720908507990     
  O     11.87323267     10.44332598    -15.38423340
  H     11.62301370     10.17761411    -14.49044508
  H     16.43292282     11.54596378    -17.22256108
  O     15.50929298      6.29257722    -13.70396050
  H     12.49981625     11.17085226    -15.29314404
  H     15.57227496      7.78539892    -14.64103006
  O     17.81629830     10.00315099    -12.59991506
  H     14.97182320      6.43626273    -12.91052202
  H     16.27710242      8.58351860    -15.79468502
  O     18.28802354     11.20951595    -17.07002289
  H     16.42689637      6.44132267    -13.43905419
  H     11.29767829      8.53153045    -12.90018630
  O     13.05221002      5.97995556    -15.27140522
  H     16.95870577     10.37643889    -12.84681764
  H     10.31191978      9.62668540    -12.42994360
  O     15.31757356      9.46728179     -9.21839296
  H     17.90213455     10.07378304    -11.64102105
  H     18.11396936      8.01836400    -10.04636990
  O     14.03015497      6.90804341    -11.44602216
  H     18.71267735     10.95039540    -16.23237837
  H     18.09469872      6.97778181    -11.18421203
  O     15.31024369     10.77230513    -13.48547043
  H     18.92393325     11.73520864    -17.54826623
  H     12.01331176      6.49614000    -13.83615804
  O     17.40457309      8.55401831    -17.30556973
  H     13.92985183      5.92306174    -14.87496690
  H     12.37993874      6.70273938    -12.35742051
  O     15.54725880      6.60409622     -9.11201565
  H     13.06599041      6.74496972    -15.86042979
  H     18.93781619     10.21533807    -14.02392852
  O     19.28274355      7.38755289    -15.62460443
  H     15.28099263      8.51779745     -9.04814847
  H     19.57776904      9.24971407    -15.04337599
  O     15.47638155     11.56870956    -17.35052407
  H     14.68090155      9.64093940     -9.92495076
  H     18.55162830      7.15960834    -13.88727361
  O     15.58661567      8.62455536    -15.12442002
  H     14.47560805      6.68685999    -10.61986977
  H     17.91842588      8.18332864    -12.91813943
  O     11.19016490      9.49322343    -12.77663283
  H     13.94844321      7.87255284    -11.46974051
  H     16.97556163      9.83862826     -9.56820898
  O     17.97663196      7.08077378    -10.23127960
  H     15.38452698     10.01159936    -14.08487043
  H     18.32676865     10.46257572     -9.14051941
  O     11.67790401      6.85531813    -13.00272931
  H     14.87259173     11.46848684    -13.98889824
  H     14.63519733      8.86927387    -19.55609061
  O     19.42653125     10.18341796    -14.85858481
  H     16.63249014      8.56469644    -17.88630411
  H     14.29987724      8.78590692    -18.04880709
  O     18.06291896      7.23563633    -13.05970748
  H     17.75761223      9.45539289    -17.31002214
  H     14.26393095     10.11075583    -12.16620153
  O     17.91445734      9.92839883     -9.81362848
  H     15.60635287      5.95889514     -8.41305530
  H     12.79652024      9.71622889    -11.85866440
  O     14.99502515      9.02617525    -18.68727288
  H     16.43817040      6.68667422     -9.49727948
  H     14.47465426     12.15819797    -16.05020681
  O     13.69542941      9.68843569    -11.50731331
  H     18.62642801      7.66894919    -16.28248375
  H     13.78462264     13.37309335    -15.38651481
  O     13.95545495     12.44154487    -15.27617307
  H     19.87759430      6.78970038    -16.07128513
  H     12.66656421      9.13540872    -16.30694870
  O     13.29978719      8.48764216    -16.64911487
  H     15.25817676     10.78788594    -17.87147726
  H     14.06967887      8.54356440    -16.06237274
          69
 Energy    -248.62713168386833     
  O     14.27722693      6.79386563    -13.70480271
  H     15.03799121      6.27320949    -13.41234794
  H     18.79974717      5.58700468    -14.93324466
  O     18.46618958      7.47364051    -11.91332806
  H     13.98436643      7.33721684    -12.95878525
  H     16.29611868     11.14622327    -16.70946320
  O     18.31133842      8.94210236    -15.97403046
  H     18.39626746      7.33255613    -10.96168929
  H     17.29174154     12.18871731    -17.25902878
  O     12.12340638      9.86290629    -15.96042462
  H     18.19244099      8.38698865    -12.08715193
  H     15.36048171      8.09105574    -14.33697055
  O     15.76609875      8.64611656     -8.70581829
  H     17.52202680      8.77792357    -15.43353303
  H     15.44368866      9.33941639    -15.25781047
  O     13.55796801      8.50159183    -11.63907988
  H     18.22388404      9.85922507    -16.24998269
  H     14.11115536     13.35264758    -12.38753779
  O     17.44126195      9.91397948    -12.58486261
  H     11.25989079      9.99253041    -16.34273268
  H     13.92114342     11.91174161    -12.91309225
  O     14.87359301      7.61945882    -18.06354103
  H     12.29960663      8.90392964    -15.97673694
  H     16.06936551      5.23134456    -11.16756732
  O     13.70311218      6.77422682     -9.44531867
  H     14.99195693      8.08067078     -8.81614276
  H     16.60642711      5.75567346     -9.82318152
  O     17.24346879      6.66731213    -17.23056049
  H     15.64423747      9.38807791     -9.31334443
  H     12.87804966      9.85916087    -12.79410037
  O     12.86694140      7.27591839    -16.05195049
  H     13.44791830      7.90833505    -10.88507539
  H     12.50570614     10.38441928    -14.20557122
  O     18.17810819      4.88292807    -15.19686063
  H     14.21240616      9.16090136    -11.36728994
  H     19.42995051      7.17705446    -13.49418719
  O     17.15717644     11.56529046    -16.54874969
  H     17.58852216     10.81685398    -12.89945456
  H     19.40892090      7.75766348    -14.92972239
  O     15.92034838      8.83539806    -14.58864771
  H     16.85527014      9.51179974    -13.24493242
  H     17.07740151      5.20917932    -13.69737004
  O     14.58326508     12.54887782    -12.58987419
  H     15.71446639      7.22448519    -17.77060709
  H     17.25411223      6.27181126    -12.58876320
  O     15.85164451      5.31180989    -10.23015759
  H     14.74900282      7.35222042    -18.97030761
  H     18.45080252      6.96702173     -8.41818895
  O     12.79185163     10.65945903    -13.32719387
  H     14.42034946      6.18300841     -9.73781298
  H     17.18616312      7.66458591     -8.97307616
  O     19.68235826      6.99162306    -14.40900168
  H     13.10570303      6.24584775     -8.92344381
  H     14.85027520      9.32568157    -17.34330090
  O     16.64722877      5.59587355    -12.92565773
  H     17.74052050      7.44655920    -16.94661104
  H     13.85794307     10.23351467    -16.57555623
  O     17.89751792      7.03601015     -9.19150545
  H     17.47356491      5.96688991    -16.60952921
  H     15.08273459     11.27121599    -11.22447959
  O     14.78488271     10.14470687    -16.83100949
  H     13.53534756      7.23670592    -16.74684981
  H     16.19753614     10.22540483    -11.33634537
  O     15.40766798     10.45684697    -10.82480387
  H     13.29563330      6.97608527    -15.23767568
  H     16.31488672     12.50499117    -13.45297866
  O     17.22275043     12.37364197    -13.75685214
  H     18.70064864      4.10178532    -15.35859066
  H     17.17847805     12.17898766    -14.70053344
          69
 Energy    -248.62692046766105     
  O     10.21770330      9.85782640     -9.58791484
  H     10.80547176      9.90492062     -8.82203862
  H     13.97083221     11.77514437    -14.15734787
  O     13.47965297      8.88467637    -17.20508262
  H     10.37028822      9.00610496    -10.01366196
  H     16.07666887      6.56682321    -12.61272650
  O     10.88421827      7.47424368    -11.04037092
  H     13.87240019      8.73665819    -18.06096473
  H     14.84584340      7.19087986    -13.29239221
  O     14.08826128      8.29136509    -14.53422189
  H     13.24382614      9.82921948    -17.16359036
  H     14.86777571     13.81706806    -12.18898926
  O     13.17874962     12.63290121     -8.15855466
  H     11.82881152      7.48582697    -10.80323999
  H     13.47948655     14.27570352    -11.68076150
  O     12.64730845     11.45811685    -16.97705470
  H     10.56337308      6.59445843    -10.85910979
  H     13.55609341      8.73670367    -10.68450951
  O     11.49591069      8.55852675    -13.58750369
  H     13.19554199      8.35002721    -14.15966024
  H     14.12958024      7.35646243    -11.14533244
  O     14.17877894      8.48909192     -7.89047403
  H     13.99492856      8.41812680    -15.48604462
  H     16.08451923     11.87660157    -12.53422550
  O     13.56711354     10.50475515    -10.98095533
  H     12.80641271     13.26860638     -8.78028028
  H     17.27345680     12.85567739    -12.41813891
  O     12.01037602     10.29407758     -7.41995452
  H     14.06974779     12.44595226     -8.48718931
  H     11.75220141     11.72625483    -14.04931210
  O     11.09326809     11.87273372    -11.16279301
  H     11.68570189     11.42429448    -16.90550456
  H     10.40999104     11.25247504    -14.66568602
  O     13.34672659     12.45389168    -14.44770935
  H     12.95567321     11.93346951    -16.19346410
  H     15.98910358     11.13773391     -9.03102957
  O     15.14421701      6.73021865    -12.49278048
  H     11.20094657      8.18326741    -12.75022937
  H     15.97269543     12.14845908    -10.23624462
  O     14.03786099     14.22126865    -12.46585877
  H     11.27944185      9.50155272    -13.58462433
  H     14.87516322      9.77385664    -13.77636798
  O     13.52074228      7.78073315    -10.52534737
  H     13.43780310      9.07010650     -7.67896264
  H     14.51151174     10.52689533    -12.47477553
  O     16.44696401     12.60971505    -12.00971088
  H     13.96366834      8.08555622     -8.74180314
  H     10.09470261      9.98377482    -16.44960389
  O     10.91450632     11.28335908    -13.84423170
  H     14.15955511     10.96172813    -10.36789395
  H      9.04552149     11.02697017    -16.90714409
  O     15.48406965     11.84348297     -9.46367801
  H     12.73218338     10.98671505    -11.00700073
  H     17.19969591      9.44726894     -7.48409731
  O     15.05267139     10.58132786    -13.27927504
  H     11.67559562     10.39808046     -6.53237875
  H     15.77406737      9.23235567     -8.02178340
  O      9.86475149     10.93024535    -16.42992433
  H     12.40795564     11.14852082     -7.66553844
  H     11.69899391     13.40653935    -10.61889003
  O     16.60369459      9.71677530     -8.17727899
  H     10.65825431     11.20423583    -10.61125883
  H     11.48796972     14.89454507    -10.25038946
  O     12.15015847     14.20954192    -10.30135156
  H     10.87960633     11.69916762    -12.08862980
  H     10.93510396      8.26039041    -15.36362836
  O     10.78518411      8.37066036    -16.31277821
  H     13.49706306     13.20835324    -13.86035687
  H     11.66306848      8.38943258    -16.71321453
          69
 Energy    -248.62667799522492     
  O     17.27413250     10.21756962     -9.65314695
  H     17.57999760     10.83982397     -8.98041498
  H     12.93574336      7.19580837     -6.52081456
  O     18.17158674     11.80511601     -7.53546311
  H     18.00812867      9.62948950     -9.87809061
  H     18.37716255      6.67902478    -12.85420209
  O     12.53064650      6.22428510     -8.11197307
  H     18.63462829     12.63322926     -7.44270939
  H     17.81485260      5.78244110    -11.72885661
  O     15.07337600     10.15510943    -11.31678885
  H     18.72457098     11.12132906     -7.11271168
  H     14.19834275      5.99990411     -8.97580342
  O     19.15136145      8.28041239    -10.30669321
  H     11.82275715      5.58569906     -8.07652395
  H     14.66771579      6.58327999    -10.33520081
  O     20.87239107      8.03046346     -8.17237998
  H     12.25049632      6.91859723     -8.73536796
  H     18.25716872      8.85216325    -13.26295480
  O     17.72587568      5.93692547     -9.84985775
  H     14.32781588     10.49286062    -10.80544844
  H     19.71589016      8.74200910    -13.76792881
  O     11.98244180      8.13356789     -9.96780252
  H     15.85961966     10.25646436    -10.75997573
  H     16.15878223      8.52046705    -13.83301281
  O     16.10962672     10.99738318     -5.67561375
  H     19.25324521      8.38573107    -11.26147524
  H     16.05899695      9.75389490    -12.90723755
  O     12.91329114     10.83422777     -9.58079910
  H     18.61965295      7.48336058    -10.15725669
  H     16.33144571      8.99433881     -8.70957987
  O     13.95387612     10.13907391     -7.16356917
  H     20.34380466      8.16277812     -8.97731726
  H     15.57634307      7.61925383     -8.62721992
  O     13.15574929      7.77241541     -5.77952561
  H     21.76052446      7.82671012     -8.45382211
  H     20.07693395      9.21010904     -6.94629266
  O     17.78940312      5.93339318    -12.68297544
  H     16.76590914      5.88827401     -9.74608356
  H     18.79708864      9.18322864     -6.07743829
  O     14.97770537      6.15383542     -9.52380300
  H     18.10061228      5.88068908     -8.95796411
  H     14.51315676      7.40305211     -4.69298282
  O     19.12957926      8.46347942    -13.06998842
  H     12.15641300      9.06931266     -9.81530909
  H     15.01008885      7.13022220     -3.26263930
  O     16.61267058      9.33347620    -13.57685058
  H     12.56564476      7.88046052    -10.69698147
  H     14.46664806      7.22002860    -12.53632732
  O     15.83309828      8.40389917     -8.12952936
  H     16.47082540     10.13343513     -5.45184908
  H     14.46546781      8.46042097    -11.59713825
  O     19.49851479      9.76296202     -6.40753850
  H     16.75361886     11.39276546     -6.27603329
  H     19.60757102      6.72106798     -7.48061517
  O     15.31193380      7.26175186     -4.15708403
  H     12.35645857     11.60711775     -9.53009640
  H     18.28505842      6.73304009     -6.69859423
  O     14.09474434      7.57410533    -11.71980268
  H     13.24473145     10.66834411     -8.68093714
  H     16.76902407      8.24338541     -6.62263980
  O     18.80167044      6.21381098     -7.32551787
  H     14.53950008     10.62106701     -6.56369964
  H     16.68081631      7.80314438     -5.13318348
  O     17.27517243      8.18171005     -5.79772831
  H     14.52133779      9.44854177     -7.54288133
  H     16.30665030      6.33929176    -13.50883630
  O     15.51894783      6.70624297    -13.94963315
  H     13.25481549      8.65660750     -6.15335416
  H     15.34484736      6.15777176    -14.70933031
          69
 Energy    -248.62646128356872     
  O     12.92729914      8.99433449    -16.56772921
  H     12.83058064      8.97159493    -15.59835687
  H     17.26308208      4.37894802    -15.26605823
  O     17.01776770      6.29380368    -12.75556413
  H     12.06594460      9.19297518    -16.92484146
  H     19.82786806      8.88743816    -13.56878343
  O     18.70065214     10.56250704    -11.09461275
  H     17.06693368      5.41307285    -13.14450223
  H     19.93411122      7.74366366    -12.54376065
  O     19.61164554     10.05443860    -16.57524649
  H     16.88120095      6.89038726    -13.50757104
  H     16.57986126      9.76615827    -17.79581502
  O     14.21108404      4.93369571    -14.67489922
  H     17.83998216     10.72824586    -10.68049688
  H     18.10957335      9.59338476    -17.70762310
  O     16.23252840     10.72731831     -9.79923080
  H     19.36263116     10.80137111    -10.44796309
  H     17.54807065      7.59169240    -15.43922262
  O     14.81172376      7.08443789    -11.29440039
  H     20.34899007     10.58969612    -16.85935873
  H     16.00144594      7.39844696    -15.60664358
  O     16.20606975     10.31544564    -14.29333863
  H     19.41864463     10.31740486    -15.66121490
  H     12.63399025      7.91585568    -13.52646475
  O     17.90773295      5.10653721    -16.72777802
  H     15.07860049      4.53273039    -14.55197542
  H     13.28195217      9.28977302    -13.25096503
  O     16.46889230      8.09143064     -9.27164727
  H     14.29501239      5.51427377    -15.44488893
  H     18.63158070      8.59002100    -11.14746209
  O     19.35563382      7.30455816    -15.88598373
  H     15.88561592     11.22731098     -9.06533189
  H     18.14010692      7.17817121    -11.61444550
  O     16.91861533      4.01995046    -14.42875461
  H     16.28869956      9.79698876     -9.51022907
  H     13.20990869      5.67078274    -13.49252793
  O     20.24236997      8.02887516    -13.41027128
  H     14.01571969      6.71117364    -11.69150451
  H     11.90654546      5.61298837    -12.65832536
  O     17.32377343      9.25135314    -18.14474260
  H     15.56242386      6.72600584    -11.79103914
  H     18.97101354     10.71691846    -12.96562832
  O     16.68869761      7.75531572    -15.03021078
  H     15.65149761     10.24821395    -13.50706229
  H     17.95607729     10.54003399    -14.09614621
  O     12.72676663      8.81067080    -13.87706096
  H     16.34661781      9.40332356    -14.59801269
  H     16.87776179      7.63374537    -18.53716923
  O     18.71688070      7.64163208    -10.98664882
  H     17.42899160      5.50899441    -17.46074045
  H     16.56806904      6.60847016    -19.65307606
  O     12.67360116      6.15055527    -12.83447012
  H     18.57020723      5.76498195    -16.47162261
  H     14.73036394      8.84719009    -11.77748007
  O     18.90896695     10.54875586    -13.91315836
  H     15.78959878      7.65429941     -9.80427669
  H     15.08277440     10.26370872    -11.28722790
  O     16.55587568      6.72897589    -18.70770974
  H     17.31222859      7.80693016     -9.64646634
  H     15.55544249     10.70491205    -16.01379005
  O     14.67322032      9.78484792    -12.01537929
  H     19.53547734      8.14943554    -16.31340158
  H     14.41500468     10.14858463    -16.87807142
  O     15.25550436     10.61864941    -16.92858182
  H     19.74237412      7.37305014    -14.99949462
  H     14.03364911      7.53426629    -16.76501929
  O     14.64365172      6.78874072    -16.69123720
  H     17.22452670      3.11839864    -14.37535456
  H     15.17907586      6.74644742    -17.49423977
          69
 Energy    -248.62619712804428     
  O     -3.01221944      5.02894987      4.62913453
  H     -2.78057624      4.85442986      3.70016673
  H     -2.60522744      2.84735120     -1.08653382
  O      0.53019792      1.75355542     -0.56636254
  H     -2.83047142      5.95156332      4.78841771
  H     -4.88831172      2.58726684      5.24840919
  O     -1.22132063     -0.19646083      2.79272412
  H     -0.34445819      1.98931874     -0.92980441
  H     -4.64843527      4.05395784      4.86460795
  O     -5.43981014      1.80798926      0.93023632
  H      1.17521204      2.00204720     -1.22290416
  H     -4.52192683      4.39437986     -0.73879943
  O     -0.31647492     -0.81494429      0.25317360
  H     -0.56178625      0.25030942      3.33593464
  H     -4.53517222      3.11799402      0.13288145
  O     -4.94287383     -1.44454081      5.17187069
  H     -1.91486033      0.46231292      2.62922007
  H     -7.91589196      2.85256683      3.21650412
  O     -6.81065979     -0.42251017      3.50273002
  H     -6.06949703      2.05329724      1.62239807
  H     -6.47457672      2.81580581      3.77685956
  O     -1.53414672      2.75515735      5.61933450
  H     -5.44677262      0.84303870      0.85318286
  H     -2.84935495      4.26179600      1.26509507
  O     -2.74933312     -0.32522287     -1.19074313
  H      0.08260148      0.00266842     -0.06759379
  H     -1.45214718      3.98834026      1.94198990
  O     -5.36322908     -0.94756447      1.15792670
  H     -0.60186216     -0.64121818      1.16187303
  H     -2.55682056     -1.45226259      2.92798329
  O     -3.07538499     -3.79895910      0.71386809
  H     -5.68133219     -1.10122460      4.63578427
  H     -3.81933003     -1.90132790      3.72113372
  O     -1.94351015      2.26553692     -1.47156812
  H     -5.31887623     -2.04313266      5.81136256
  H      0.31033201      2.67250383      1.06096734
  O     -5.34132080      3.38933259      4.95203191
  H     -6.47578831     -0.67671239      2.63125495
  H      0.31353703      2.62782409      2.61178826
  O     -3.97251357      3.84422836     -0.18577012
  H     -6.98089345      0.52508118      3.45544157
  H     -0.22381830      2.01855087      4.74807789
  O     -7.07293923      2.41755987      3.11951779
  H     -2.26110056      2.12140748      5.69785463
  H      1.23181200      1.49681842      4.74469376
  O     -2.36208848      4.29191544      2.09685024
  H     -1.94789401      3.59308121      5.38326607
  H     -4.11886002      0.22124177      5.39254282
  O     -3.36977328     -1.97244842      2.87062579
  H     -1.97423808     -0.64255531     -0.71049891
  H     -3.59456621      1.25815361      4.36326309
  O      0.08801227      3.17802702      1.85243653
  H     -3.37192056     -1.05797686     -1.22460400
  H     -4.96485637     -3.06088619     -1.73404976
  O      0.45002765      1.57160382      4.20434477
  H     -5.29111821     -1.45963339      0.34314954
  H     -4.08625682     -3.04829388     -0.45842224
  O     -3.76469415      1.11287984      5.30746019
  H     -4.63679509     -1.24701891      1.72337975
  H     -0.26839127     -2.60265074      0.06649646
  O     -4.63847287     -2.49415152     -1.04166520
  H     -3.14458768     -3.30882918      1.54284296
  H      0.48307755     -3.94156597     -0.00980106
  O     -0.39156100     -3.56514722      0.03798886
  H     -2.13535593     -3.82199985      0.48411905
  H     -2.85364975      2.55479859      2.53638258
  O     -3.21378615      1.66427152      2.63181239
  H     -2.32259734      1.37131586     -1.45655074
  H     -3.97185660      1.61425447      2.03896077
          69
 Energy    -248.62613997340787     
  O     15.58678676      9.36868020    -11.67154301
  H     16.33504796      8.98895914    -11.18578195
  H     13.82986872      9.88057257     -8.41623208
  O     19.10807728      4.57356361     -8.79506999
  H     15.00981782      9.73453756    -10.98897402
  H     12.33847039      9.06701563    -10.07481442
  O     15.97980022      4.25815998    -11.35815896
  H     19.82662692      3.96184733     -8.93588713
  H     11.41451708      7.83522621    -10.01115106
  O     13.59745906      5.52006563    -10.76831906
  H     18.91893800      4.98525627     -9.65585596
  H     15.45883193      9.29936807     -6.25185776
  O     18.09405313      6.17628029    -13.78658322
  H     15.91899823      4.13798586    -12.31480354
  H     16.45370046      8.27479942     -5.64422545
  O     16.35252596      3.78187256     -8.51269570
  H     16.76303985      4.80737689    -11.21516646
  H     12.64323244      8.06199043    -11.92487664
  O     16.64188859      8.66172934    -14.16322252
  H     14.36868720      4.98307485    -10.99485439
  H     14.15161783      8.25114949    -12.22816633
  O     18.58101683      9.20324875     -7.72158881
  H     13.50723288      6.20602786    -11.44643442
  H     18.40438819      5.90568628    -12.05267856
  O     15.03793899      5.50320845     -6.79716440
  H     17.68171895      7.03455738    -13.94280644
  H     18.09353936      6.67540035    -10.73813963
  O     17.44542345      8.15968233    -10.02512566
  H     17.43323406      5.51435682    -14.02549909
  H     15.75444705      3.72212069    -14.87951726
  O     15.15114988      7.09198735     -9.06859131
  H     17.30029800      3.96360920     -8.50134433
  H     15.36432461      5.13923701    -14.39723158
  O     13.99075549      9.60680033     -9.32612387
  H     16.11178051      3.75038329     -9.44563909
  H     13.25201900      8.70207911     -6.56903689
  O     11.62832766      8.60924556    -10.54572496
  H     16.92727257      9.42297476    -14.66371993
  H     13.06238447     10.08901131     -5.91272192
  O     16.39568443      9.09813210     -6.14454479
  H     16.27740113      9.00259058    -13.33144252
  H     10.77890242      5.45249035     -9.15696213
  O     13.38181170      7.70951145    -12.44371875
  H     17.78040606      9.24268608     -7.16586482
  H     12.19588822      5.78432242     -9.67117584
  O     18.33866442      5.80804395    -11.09224058
  H     19.11540599      9.95773709     -7.48993105
  H     17.69915080      6.47470925     -5.57318721
  O     15.89052934      4.35003509    -14.17508638
  H     15.45014110      4.80607384     -7.32956808
  H     17.19678152      6.28033562     -4.12023232
  O     13.61698717      9.60442247     -6.51817343
  H     15.66817244      5.76765403     -6.11537892
  H     13.43998920      6.42443897     -6.63193863
  O     11.46962160      6.10962131     -9.11353687
  H     16.66217573      7.73776352     -9.63303502
  H     12.20782742      6.76131612     -7.48921120
  O     16.91537626      6.53006834     -4.99587685
  H     17.91263777      8.60223505     -9.30636137
  H     18.98134450      7.40094665     -7.15278595
  O     12.71039539      7.05362518     -6.71952932
  H     15.15320403      6.63882345     -8.21624216
  H     19.06008313      5.87747684     -7.44926541
  O     18.96983910      6.52806215     -6.74220636
  H     14.63286224      6.54342747     -9.67022641
  H     15.30556537      7.37076360    -14.72219262
  O     14.62580490      6.68633621    -14.70256095
  H     14.37728351      8.72106921     -9.24022512
  H     14.00591216      6.97832613    -14.01968123
          69
 Energy    -248.62603954203502     
  O     12.23211601     10.10691461    -15.81659859
  H     12.91643573      9.70127054    -16.36369452
  H     21.08637883      8.95948952    -13.17342653
  O     16.47160221      6.91817738    -13.22263066
  H     12.57591594     10.96332492    -15.53614630
  H     16.03943324     13.35294863    -17.06914895
  O     16.61522008     10.80993609    -11.20706533
  H     17.05819211      7.36180445    -12.59462535
  H     16.28945895     12.16654101    -16.12340962
  O     17.38488400     11.00135585    -15.38259209
  H     15.66744361      6.67656027    -12.74517756
  H     15.09287689      8.96020534    -15.38029942
  O     14.48469661      6.05456134    -16.76522785
  H     15.81292560     10.93075865    -11.73316544
  H     15.84808828      8.35640139    -14.14861601
  O     13.44641495      8.73107837     -9.09572593
  H     16.33277996     10.71031998    -10.28907771
  H     11.50999747      8.99043161    -14.71347197
  O     14.07462816      6.46627729    -11.91279345
  H     17.86307194     11.32779972    -14.60493645
  H     10.22299419      8.28700642    -14.21890661
  O     14.33914881     10.91393233    -12.82321206
  H     16.75534130     10.34048938    -15.05885926
  H     16.61658054      8.51117798     -8.76794901
  O     17.23128956      6.55049159    -15.85886635
  H     14.26983374      5.25186133    -17.23242699
  H     17.42441172      7.77723142     -9.85104043
  O     14.67625992      6.12784813     -9.19976496
  H     13.96604027      6.04522648    -15.93955541
  H     12.32868807      6.85771224    -14.42866673
  O     19.04581514      8.66976149    -15.58186115
  H     13.05598719      8.83938590     -9.97344643
  H     13.38679230      6.09282855    -13.61908611
  O     20.14632809      9.11373762    -13.14645975
  H     13.72519809      7.80880856     -9.04048995
  H     18.02076617     11.45781426    -12.32265341
  O     15.59776315     12.75180712    -16.47522542
  H     13.63750751      7.32889847    -11.86672116
  H     19.27783192     10.84637837    -12.98209009
  O     15.49595085      9.17070422    -14.53066502
  H     14.25522856      6.20380273    -11.00198358
  H     18.83042117      8.58595949    -11.98322664
  O     11.16626942      8.32920156    -14.08615737
  H     13.97661610     11.60215397    -13.39139805
  H     17.53010492      9.23971296    -11.43341781
  O     16.92028437      7.63593268     -9.03817500
  H     14.73442052     10.25941528    -13.42386684
  H     14.83641939      9.73838248     -8.76857744
  O     13.01576236      6.18488496    -14.50592166
  H     16.39356685      6.31434603    -16.26775558
  H     15.58242499     10.70859166     -7.82180113
  O     18.66743594     11.59287255    -13.02779263
  H     17.05779484      6.51782202    -14.90582200
  H     12.07538521      8.73160092    -12.50443598
  O     18.01886278      8.40562048    -11.49198800
  H     15.52753749      6.59719126     -9.12981983
  H     13.23983587      9.66890250    -12.09613210
  O     15.68190848     10.19941801     -8.62165117
  H     14.70668809      5.40751152     -8.57648337
  H     12.93318498     13.41487117    -14.89544018
  O     12.70932151      8.91551529    -11.80037007
  H     18.53295129      9.47510961    -15.71862035
  H     14.15871784     12.67334130    -15.47791111
  O     13.37685060     12.57066482    -14.90771832
  H     18.45982269      7.92467335    -15.77642936
  H     14.39662512      7.80742762    -17.10357529
  O     14.38723317      8.77816346    -17.10304698
  H     19.80127629      8.89913636    -14.03225024
  H     14.99978317      9.06429564    -17.77758652
          69
 Ord_Energy   -248.625656    
 O   -2.11988640       5.56138277       3.37835073    
 H   -2.44611001       6.32105398       2.88283801    
 H   -1.56866527       5.02497721       2.78762054    
 O   -3.87737560       1.25352192       3.26380754    
 H   -4.00775719       2.15574074       2.92725325    
 H   -3.68288684       1.34779882       4.20435619    
 O   -5.90196085       2.98175287       5.74974394    
 H   -5.67083883       3.89628458       5.95348644    
 H   -5.09588909       2.46971655       5.88675213    
 O   -3.56731701       5.25150967       8.09225217E-02
 H   -3.74249959       4.62499380      0.800755978    
 H   -2.77822185       4.93229055     -0.370944411    
 O   -5.56539249       1.57117176     -0.536626756    
 H   -5.99267530      0.982208669      -1.15402365    
 H   -5.84745073       1.29025054      0.352030903    
 O   -5.00524712       5.65562487       6.24005461    
 H   -5.37761259       6.23384809       6.90070915    
 H   -5.15803194       6.08259535       5.37809801    
 O  -0.667100489       3.86819053       1.80710089    
 H   0.200639889       3.68465447       2.19236326    
 H  -0.607271612       3.95448637      0.848176420    
 O   -6.79392004       4.77029800       2.37317038    
 H   -7.24569321       4.02335310       2.78489017    
 H   -6.76718807       4.62850523       1.41469455    
 O   0.114965111       3.31632090       6.02445364    
 H  -0.680406392       3.86559796       6.04272699    
 H   0.538982332       3.45084238       5.16996479    
 O   -1.23399889       4.00297689     -0.959740281    
 H  -0.790015578       4.03628969      -1.80213964    
 H   -1.75901127       3.17955112     -0.950427055    
 O   -2.71580338       1.78199589     -0.704796016    
 H   -3.67589164       1.70705128     -0.652986825    
 H   -2.35706043       1.37695098       9.62413177E-02
 O  -0.707096398      0.737278163       6.27532625    
 H  -0.358197868       1.64766657       6.26473331    
 H  -0.329071373      0.306488007       7.03773594    
 O   -3.49766040       7.42191744       1.77297664    
 H   -3.39656162       8.25780964       1.32527399    
 H   -3.55728793       6.73896885       1.08352637    
 O   -3.26527929       1.88748515       5.89349937    
 H   -2.48706365       1.35626757       6.10030270    
 H   -2.96167374       2.80701852       5.87344456    
 O   -7.72131395       2.52993321       3.78755832    
 H   -7.08012962       2.65172744       4.51122570    
 H   -8.55844116       2.32560349       4.19579601    
 O   -6.25284576       4.32469320     -0.290915787    
 H   -5.40258789       4.76883173     -0.393362403    
 H   -6.07020140       3.38714838     -0.437483519    
 O   -2.42315555       4.57116079       5.88144207    
 H   -2.24705744       4.96566868       5.01298237    
 H   -3.24722791       4.97428274       6.18010426    
 O    1.47616410       3.12156296       3.41186190    
 H    2.42919517       3.12976193       3.43747067    
 H    1.20107663       2.18950677       3.49317503    
 O   0.467971951      0.618351460       3.64626694    
 H  -0.228668764      0.612414598       2.97518277    
 H    3.15277390E-02  0.499508053       4.49818134    
 O   -6.28834248      0.850741684       1.97117162    
 H   -6.87824535       1.35948420       2.53912330    
 H   -5.45374155      0.792679727       2.45820427    
 O   -5.46970558       6.73353815       3.79388547    
 H   -6.06097889       6.14391422       3.30241919    
 H   -4.84710550       7.08198261       3.14770079    
 O   -1.57760108       1.15509152       1.79684961    
 H   -2.38488078       1.05648136       2.32411838    
 H   -1.33267975       2.08937359       1.84575260    
 O   -4.15050936       3.84028983       2.42621922    
 H   -3.57614756       4.43951225       2.91875648    
 H   -5.05888653       4.16262054       2.50065732    
          69
 Energy    -248.62502688298247     
  O     12.36104197      2.19754114    -12.66824747
  H     12.39566458      2.97271673    -13.24260328
  H     10.32043291      4.43023372    -13.70756188
  O     11.76420133      1.17706423     -8.35984553
  H     11.45067073      1.88305437    -12.71898228
  H      8.62509370      6.44632640    -10.16330104
  O      8.74208581      7.09976444    -13.55245478
  H     11.33603865      1.89466600     -7.85724524
  H      7.77014694      7.68835114    -10.53821972
  O     14.92686678      6.78848230    -10.89441915
  H     11.97843235      0.49136513     -7.73299562
  H     12.10472428      5.46735327    -10.85520997
  O     11.48747273      5.76933662     -7.52977077
  H      8.90953237      6.15038774    -13.58697459
  H     12.26930659      4.09756929    -10.13467147
  O      9.56070191      1.54736881    -12.76174870
  H      9.50251068      7.50300914    -13.11513520
  H     13.32077184      5.98911321     -7.28599567
  O     13.33006856      2.62337407    -10.16011195
  H     15.11811950      5.96352366    -10.43146735
  H     14.61762469      5.48031553     -7.96300528
  O     12.10443486      4.58452770    -14.19293994
  H     14.86886312      7.46783055    -10.21102672
  H     10.27886968      1.02350431     -9.55996825
  O     10.64758834      8.17575622    -11.65923971
  H     10.97551891      6.58676914     -7.51850661
  H      8.90100586      1.70715809     -9.59132374
  O      6.71757449      8.03895845    -11.94486884
  H     11.61804575      5.53563564     -8.46248205
  H     15.21168723      9.07657057     -8.22655143
  O      8.06144649      3.16403682     -8.71399937
  H      9.50301674      1.37917107    -11.80435405
  H     14.47356097      7.71995736     -8.13027182
  O      9.42170122      4.29875102    -13.37514023
  H      9.20417141      0.77646267    -13.19559908
  H     14.65235699      3.70585592     -9.66330575
  O      8.48014565      7.38038344     -9.95658357
  H     12.85835276      2.04667363     -9.54569947
  H     16.14232802      3.91177988     -9.32199664
  O     11.77262841      4.92529131    -10.12863063
  H     13.06093646      2.39306975    -11.06342209
  H      9.08182851      4.64242629    -11.60048262
  O     14.26824489      6.16048898     -7.37430986
  H     12.44843695      4.85329580    -15.04050137
  H     10.04267743      4.78445040    -10.40270317
  O      9.47943330      1.11774001    -10.09097250
  H     12.36190072      5.27191590    -13.55251292
  H     12.00028800      7.11345190    -12.13664285
  O     14.56926061      8.52679854     -8.66713333
  H      9.88153817      7.90149074    -11.13996137
  H     13.49437230      6.64534038    -11.89246671
  O     15.30429540      4.36543724     -9.37500588
  H     11.18520609      8.69842280    -11.04345002
  H      9.57357819      3.22806020     -7.54297544
  O      9.10399913      4.77567831    -10.64508637
  H      6.23809873      8.74613375    -12.36798481
  H     10.79453074      4.09134623     -7.13706188
  O     12.65143558      6.42041140    -12.31508508
  H      7.34506644      7.70643297    -12.60971098
  H     11.38195440      8.98076107     -8.87185557
  O     10.44918848      3.18870305     -7.13926909
  H      7.14197705      3.35728421     -8.55123467
  H     12.87361495      9.08127512     -9.25697231
  O     11.98225544      9.29422764     -9.55899699
  H      8.35511146      3.76570508     -9.42006130
  H      9.47525478      8.65838670     -7.19149043
  O      9.98563346      8.14408807     -7.81194946
  H      9.33572536      3.34503948    -13.24303328
  H      9.38543587      7.90935676     -8.54107448
          69
 Energy    -248.62476055345854     
  O      9.99075226      6.35599486    -11.65857105
  H     10.20225650      5.60691917    -12.22773361
  H     16.55584721      6.33310661    -10.04466098
  O     14.44863828      5.27742256     -7.97804398
  H     10.34485442      7.13479745    -12.10447471
  H     15.45819555      6.24877549    -14.32951511
  O     16.54882012      7.61711388    -13.91026538
  H     14.92783320      5.06936790     -7.17872950
  H     15.37205430      4.69542138    -14.39449128
  O     16.62679723      3.37716136    -13.92576426
  H     15.10446194      5.31059844     -8.69012450
  H     14.25862856      5.68642993    -12.72584556
  O     17.17455973      7.98066849    -10.04725304
  H     16.22984725      8.16519703    -13.17960689
  H     13.43575463      4.96354564    -11.63162405
  O     12.06260576     10.55306234    -14.57095081
  H     16.42506638      8.13529989    -14.71640049
  H     10.14210349      6.21669520     -9.92811156
  O     12.65570915      7.53735948     -8.36505154
  H     17.21698286      2.83692280    -14.44407658
  H      9.40298336      6.19849996     -8.57097389
  O     12.24042167      6.29873656    -14.80185510
  H     17.17027990      4.06741532    -13.50249308
  H     14.84588239      8.88028006    -16.25131610
  O     15.39583253      2.79046747    -11.41121776
  H     17.93534428      8.49151548     -9.78306189
  H     16.12241013      9.36706762    -16.97747461
  O     14.86274279     10.88691859    -13.99817810
  H     16.67087610      8.54402567    -10.65663246
  H     13.02847216      8.14977290    -10.00533984
  O     17.83129792      5.43310163    -12.64888039
  H     11.34460437     11.17858444    -14.62154681
  H     13.46138263      7.33272552    -11.24871404
  O     16.16917503      5.45543899    -10.19828650
  H     11.77209535      9.84042797    -13.97612614
  H     14.74491814      9.00150941    -11.50756909
  O     14.84729294      5.50401165    -14.43392473
  H     13.28131088      6.83811297     -8.14251809
  H     15.38609317      9.97234277    -12.53977931
  O     13.95904032      5.75489638    -11.81059278
  H     11.80166020      7.10129069     -8.48692435
  H     12.73905031      7.75012943    -15.95163379
  O     10.26543210      6.11163116     -8.96825075
  H     13.15891544      5.99075149    -14.77758220
  H     12.70003847      9.28812869    -15.84584384
  O     15.77537915      9.14010003    -16.11908492
  H     11.71268274      5.58102890    -14.43138532
  H     12.88576363      4.32733891     -8.54720621
  O     13.24063599      8.22760873    -10.94535913
  H     15.80619418      3.47158670    -10.86950246
  H     11.41263107      4.63142677     -8.89100984
  O     15.58953234      9.29178118    -11.88234643
  H     15.80947411      2.86600212    -12.28101466
  H     11.78721415      7.66312298    -13.62913465
  O     13.12917551      8.55706189    -16.30908170
  H     13.90947700     10.88403920    -14.15023111
  H     12.07929550      8.40225690    -12.27861889
  O     12.09321478      3.94817449     -8.94585532
  H     15.24738910     10.43945758    -14.76133949
  H     11.51854868      3.82381213    -12.74544522
  O     11.47999953      8.36786544    -13.04038258
  H     17.55530054      6.25321638    -13.08137662
  H     10.33809124      3.52909657    -13.69748201
  O     10.89476516      4.23173747    -13.37062053
  H     17.46479104      5.46474437    -11.75900692
  H     12.39502404      3.41851897    -10.58933853
  O     12.67053399      3.30273460    -11.51288230
  H     15.40940693      5.58250833    -10.78881820
  H     13.57483404      2.95830597    -11.50714524
          69
 Energy    -248.62475384061619     
  O     -1.74877383      3.82333640      2.56673710
  H     -1.25787048      3.00723857      2.71677057
  H     -0.73378952      8.28454253      0.56481787
  O     -2.79121324      5.76380592     -1.07009730
  H     -2.39486069      3.64562588      1.86740364
  H      0.26787646      3.88893639     -2.07419412
  O      4.32663810      6.71029007      1.75376906
  H     -2.79836985      6.43691508     -0.37811756
  H      0.00403328      2.49191433     -1.43261300
  O      1.62621007      7.14745450      2.33145772
  H     -1.87870032      5.73188478     -1.39454363
  H      1.00753047      8.18587656     -1.07308207
  O     -0.12044623      5.58817083     -1.65630394
  H      5.15971094      7.16806855      1.82103768
  H      1.55363967      8.61410274     -2.45892882
  O      2.45561845      3.70788585     -0.26984337
  H      4.13873018      6.60143159      0.80295901
  H     -2.22468803      1.00481062     -2.87716235
  O      0.34109851      5.03880507      0.98112347
  H      2.57996700      7.04868406      2.21384430
  H     -3.39285105      0.82526211     -1.90035823
  O     -2.48019471      7.64021837      1.05152954
  H      1.40702906      6.86462634      3.22885038
  H      2.38634477      3.67137644      3.34781401
  O     -1.03134278      1.67167754     -0.14695435
  H      0.01468624      5.45164215     -0.70349453
  H      1.07292910      2.86878342      3.41180293
  O     -1.75072991      6.43714853      3.38536202
  H      0.40282484      6.36037599     -1.90119501
  H     -3.01422815      3.54869812     -3.44503377
  O     -3.20687961      3.38522199      0.30651432
  H      2.02457041      3.27238991     -1.01170779
  H     -3.51427585      4.68621795     -2.51049405
  O      0.18164607      8.53619377      0.39877267
  H      1.73808419      4.08966814      0.25970012
  H     -1.22160146      2.31532577     -4.90231953
  O      0.43950497      2.93905692     -2.17354862
  H      0.76994753      5.76037577      1.46039832
  H     -0.77322274      2.60384728     -3.45330104
  O      1.46029959      7.86618194     -1.87578875
  H     -0.32889292      4.66156449      1.56053974
  H     -0.04412923      0.67643976      2.77179329
  O     -2.52041725      0.47712496     -2.12481164
  H     -3.12036830      8.31459213      1.26745964
  H     -0.28634044      1.53090178      1.51210944
  O      1.55844396      3.57768889      3.84377397
  H     -2.21968982      7.23211491      1.89632714
  H      0.98155173      6.08781747      5.64454601
  O     -3.80536802      3.94947915     -3.06208628
  H     -1.44225540      1.05698709     -0.77274443
  H      1.01718016      5.11160387      4.44603791
  O     -1.54885875      2.44170487     -4.01500571
  H     -1.71775877      2.32724848      0.04100827
  H      4.07939388      4.83469613      2.16373955
  O     -0.05735162      1.57668029      2.45474574
  H     -1.88695460      5.49503894      3.20377371
  H      3.48427542      3.67863893      1.34504999
  O      0.77042706      6.01500054      4.71802396
  H     -0.95450692      6.46271954      3.92654550
  H     -5.80909859      1.88518240     -1.62625936
  O      3.77747118      3.92144032      2.23295268
  H     -3.09828468      4.22210359     -0.16783863
  H     -4.59053677      2.70581674     -2.11800575
  O     -4.87363569      2.01147104     -1.49464237
  H     -3.86917232      2.87151611     -0.17064073
  H      2.90303200      6.80821771     -1.21778992
  O      3.57644067      6.26364226     -0.79402593
  H      0.69603672      8.18038846      1.13748947
  H      3.23076818      5.36163312     -0.75844272
          69
 Energy    -248.62453395406635     
  O     17.80974379     12.02735113    -17.87570970
  H     16.88918306     12.00186285    -17.55961545
  H     17.83138709      4.91493829    -10.88260289
  O     15.85407480      5.77475767    -13.20150712
  H     17.86534908     12.74667622    -18.49890427
  H     21.17220214      9.27190154    -15.86445079
  O     17.69609626     11.92738347    -12.88856894
  H     15.97198374      5.81632896    -14.15799412
  H     20.59871245     10.53953911    -15.19604507
  O     21.46814408      8.69043024    -12.67964511
  H     15.24073099      6.47665194    -12.95349729
  H     18.25757815      8.12665419    -15.16641244
  O     16.31837952      7.81414279    -18.01463377
  H     18.13927489     12.06977330    -13.73624373
  H     16.90885044      8.87340009    -14.91235376
  O     13.63796660     10.84051922    -11.79559152
  H     18.12992389     11.13085335    -12.54697239
  H     14.79245838     11.08904706    -17.14329150
  O     14.58745779      8.16419366    -12.24694644
  H     22.31969053      8.86803455    -12.29071251
  H     15.17356915     11.98713766    -15.94237854
  O     20.03243271      6.25861210    -13.16791268
  H     21.46516376      9.11259417    -13.55883139
  H     17.63973952      8.79217029    -11.25209045
  O     15.08136595      9.07045870    -14.79943740
  H     16.28436417      7.11626148    -17.35078446
  H     17.20099184      7.43796497    -10.70269720
  O     19.05697219      6.54361804    -15.68434863
  H     15.50207520      8.31807348    -17.91490345
  H     14.33222820      9.13788880    -16.38312726
  O     16.48933751      5.73029910    -16.00527972
  H     12.92318240     11.22083638    -11.29202344
  H     13.10231499      9.09590274    -17.32284425
  O     17.84195074      5.74642932    -11.35016161
  H     14.45272341     10.98219875    -11.27891755
  H     16.65067774     11.53326722    -11.22302289
  O     21.27636538      9.85768008    -15.10417332
  H     14.08104857      8.96502091    -12.06554046
  H     16.39352083     10.21154690    -10.45311699
  O     17.86579231      8.92993872    -14.80459791
  H     15.38815048      8.22792242    -11.70436505
  H     19.77448225      9.28247509    -12.28996674
  O     15.28536531     11.88082650    -16.89560605
  H     20.56968493      7.01808868    -12.91170976
  H     18.49660892      9.22315558    -13.17259614
  O     16.93874710      8.36554298    -10.73316803
  H     19.36427516      6.13634191    -12.48305786
  H     16.01536624     11.85478010    -13.64048673
  O     14.02518771      9.33392916    -17.28651904
  H     14.88391104      8.63619955    -13.96026735
  H     14.51914051     11.56347521    -13.33736612
  O     16.05129058     11.10277227    -10.60191509
  H     15.13667440     10.01779294    -14.60222531
  H     21.35709960      7.87158710    -17.97585363
  O     18.83411476      9.49328248    -12.30329255
  H     19.46142088      6.36972277    -14.81929307
  H     19.99871528      8.56651788    -17.70868580
  O     15.14775387     11.72840446    -14.05107760
  H     19.71261600      6.96176009    -16.25548207
  H     18.54648276     10.56979966    -15.25557409
  O     20.74635619      8.10528497    -17.28251256
  H     16.43468464      4.85844567    -16.39148997
  H     18.64532892     11.76240692    -16.23321676
  O     18.93602635     11.45129190    -15.36780965
  H     17.43779331      5.93607552    -15.92310390
  H     18.35385320     10.23351692    -18.26178378
  O     18.61948387      9.31270765    -18.35372951
  H     17.15091989      5.68862624    -12.03474109
  H     17.81288501      8.78032742    -18.28500681
          69
 Energy    -248.62445815180718     
  O     -9.95561546      1.94119744      2.55922604
  H    -10.11260996      2.89267344      2.50807780
  H    -10.99112630      4.78256024      2.28424118
  O     -6.42421023      0.49782967      5.52160952
  H    -10.38370715      1.58987067      3.35081717
  H     -5.49268699     -0.14650063      4.00212278
  O     -8.73306248     -0.88419978      4.29152572
  H     -6.85511326      1.16784198      4.96405760
  H     -5.89849864     -0.54099256      2.56790867
  O     -8.07527284      3.97214134      6.20989044
  H     -6.89894433      0.47124935      6.36471924
  H    -10.18924607      0.10888206      4.73512679
  O    -12.96443659      2.63545442      4.67408551
  H     -7.97122847     -0.61970395      4.81713077
  H    -10.53371830      1.28460752      5.69620349
  O     -7.60761355      2.44551350      3.99701539
  H     -8.39821569     -0.98767019      3.39229308
  H    -12.10819524      5.67923101      4.45218168
  O     -8.07059998      0.43695374      7.72929244
  H     -7.92110359      3.42055573      5.42588523
  H    -10.75327545      6.12834502      5.02730274
  O    -10.03554109      2.33746867      7.15889632
  H     -7.21705966      4.34010967      6.45288491
  H    -12.84421748      3.90020311      3.47269115
  O    -12.29254366      4.03033869      7.08591974
  H    -12.37814747      1.86815452      4.69338972
  H    -13.56119865      4.82021128      2.45746224
  O     -6.29304225      6.28643254      4.01086880
  H    -12.87514463      3.04860704      5.54210415
  H     -9.03896849      1.36334016      1.15100596
  O     -3.99821741      2.16339584      2.56473924
  H     -8.37477967      2.17456101      3.47944596
  H     -8.10056591      2.11036750      0.21244172
  O    -10.03379685      4.70965075      2.17540979
  H     -7.05029039      3.00086143      3.43612321
  H     -7.73700142     -0.23476287      1.19765877
  O     -5.16003880     -0.21448199      3.09782681
  H     -8.39083003     -0.26097286      8.29630620
  H     -7.58768752     -1.77022147      1.11037858
  O    -10.83608521      0.80841949      4.91149431
  H     -8.80212627      1.06703391      7.64412714
  H     -8.10803084      6.26258137      4.21174544
  O    -11.67368095      5.95758482      5.26728676
  H    -10.83760748      2.86202907      7.26764860
  H     -8.81178383      5.26366350      5.12735732
  O    -12.73026030      4.68353755      2.90450152
  H     -9.33969485      2.96323479      6.90190050
  H     -6.58443725      4.02843080      1.52674484
  O     -8.35613854      1.22187218      0.47537378
  H    -12.04238888      4.77113807      6.50493631
  H     -5.31061001      3.42429369      2.23751486
  O     -7.47283596     -1.02708401      1.69728422
  H    -12.85842636      4.39242615      7.76261011
  H     -4.99892907      1.83308528      5.59796559
  O     -8.98481633      5.92459027      4.44277735
  H     -5.92971827      5.96032294      4.84297892
  H     -4.19592346      2.52268550      4.47946681
  O     -6.05410094      4.03436327      2.33331690
  H     -6.13128340      5.58023894      3.36989154
  H     -8.08706655      4.70166434     -0.43343197
  O     -4.45069278      2.60340296      5.40570744
  H     -4.39152346      1.28000396      2.68462471
  H     -8.75639678      4.35725607      0.91201759
  O     -8.02235038      4.12065711      0.32102146
  H     -3.12561665      2.02896257      2.20488112
  H     -4.87645036      5.23294553      7.12956999
  O     -5.44321873      4.92274838      6.42838310
  H     -9.63097832      5.15079522      2.93795819
  H     -5.03317437      4.11328377      6.07543455
          69
 Energy    -248.62385032305775     
  O      0.91522466     -1.21477052      5.48287426
  H      0.72018256     -0.27714703      5.34593344
  H     -5.10832337      0.46699227      2.86535952
  O      1.79264419     -0.78841882     -2.25714920
  H      0.08154146     -1.61725795      5.75151482
  H     -2.80896424     -0.87557087      5.79412171
  O     -1.70396633     -2.29250296      6.22960514
  H      1.74633210     -1.74413966     -2.12799037
  H     -3.02955344      0.66757616      5.66486124
  O     -0.38283555      0.01675839     -0.66161574
  H      0.96226155     -0.43570516     -1.90825477
  H      0.65864179      2.04324042      1.93678841
  O      1.66998216     -3.51954347     -1.35168693
  H     -1.72093827     -2.84660332      7.00581617
  H      0.67162928      3.58133230      2.04945604
  O      3.20169707     -2.50132257      0.65541727
  H     -2.01880838     -2.84220840      5.48857262
  H     -2.37264941     -0.33951808      3.73878367
  O     -2.52206865      3.24380317      3.32588414
  H      0.23666775      0.19593881      0.05898301
  H     -0.96080300      0.21619765      3.54302437
  O     -4.80783822     -2.90564464      2.45481575
  H     -1.25160222      0.30449913     -0.35269121
  H     -0.76344454     -1.78762619     -0.64431205
  O      0.06338620      1.34304583      4.73553100
  H      2.06048331     -4.31963162     -1.69267190
  H     -0.10843708     -3.16340324     -0.87384845
  O      3.58007439      0.14896573     -0.44273104
  H      2.22408388     -3.23446718     -0.60298797
  H      1.60323043     -1.59471280      3.84743633
  O     -4.59853571      2.03991806      1.81050040
  H      3.50809144     -1.64376580      0.33868176
  H      0.90617620     -2.22188834      2.62647389
  O     -5.21445922     -0.36568243      3.33694531
  H      2.79525926     -2.33335116      1.51675856
  H     -2.49832729      3.06132985      6.49973324
  O     -3.34396068     -0.19456915      5.36458515
  H     -1.70454279      3.08541500      2.84016777
  H     -2.44829698      2.75160378      4.98062836
  O      0.19496440      2.80267838      2.32819371
  H     -3.24693047      2.89420483      2.79217990
  H      1.55304491     -0.18562217      1.95786978
  O     -1.66255354     -0.26377666      3.08868565
  H     -5.64299524     -3.36715059      2.44076226
  H      2.26901622      0.55403466      0.79506428
  O     -0.91397900     -2.74001346     -0.55267327
  H     -4.99980410     -1.99645722      2.74572028
  H     -3.39221379     -3.47598125      3.58682519
  O      1.70003239     -1.73643360      2.89583947
  H      0.24025521      1.96455407      4.01885894
  H     -1.86805311     -3.54728073      3.42109956
  O     -2.30436115      2.37416372      5.86853310
  H     -0.66458969      1.71458059      5.25098020
  H     -1.10923324     -1.89856624      2.47992606
  O      1.49222019      0.58082046      1.36930225
  H      3.00758253     -0.14173982     -1.17590118
  H     -0.83511623     -2.82734809      1.25269159
  O     -2.57778687     -3.66131548      4.06928566
  H      4.35074790      0.55007833     -0.83422770
  H     -2.82899898     -2.54175644     -0.27581038
  O     -0.74621218     -2.75658804      2.21162450
  H     -3.99932236      1.49440907      1.27041388
  H     -3.98785940     -2.50863736      0.76480243
  O     -3.65328302     -2.09701656     -0.04186732
  H     -5.22407004      2.43911845      1.21101224
  H     -3.19441261     -0.44224180      0.33947378
  O     -2.80342896      0.39168326      0.64653568
  H     -4.69845260     -0.28578305      4.15229593
  H     -2.37852523      0.20542368      1.49759540
          69
 Energy    -248.62367040519530     
  O     13.29621262      1.36042461    -14.52467264
  H     13.93465907      1.14197034    -15.21677577
  H     15.49273978      4.63949355    -15.63709089
  O     19.74727503      7.25673012    -16.86076126
  H     13.80038918      1.80481047    -13.82981430
  H     17.42246055      5.87642191    -18.47439491
  O     13.69427139      5.37815588    -12.00448517
  H     19.25350879      8.07723813    -16.74454964
  H     18.87877559      6.12743454    -17.98170020
  O     14.64441433      4.25720445    -20.00992397
  H     19.70907223      6.80295574    -16.00874756
  H     14.41450417      3.74829000    -12.49578952
  O     18.50754641      5.02634836    -11.86671886
  H     14.54288232      5.85584117    -12.04992643
  H     15.26249189      3.32331059    -13.72491214
  O     16.62457452      9.07874664    -18.82188526
  H     13.25779028      5.66883608    -11.20842383
  H     17.76276010      3.96918653    -19.38247452
  O     14.91506704      6.28880693    -16.11015167
  H     14.14539874      3.81859660    -19.29671672
  H     16.38301632      3.47561418    -19.85930952
  O     18.44914297      3.64018050    -16.31239719
  H     14.12279291      4.16828530    -20.80296506
  H     18.96514443      5.46481611    -13.62305194
  O     15.23165309      1.44559558    -16.58572371
  H     19.07248152      5.13999616    -11.10629300
  H     18.94205926      4.91074669    -15.07432947
  O     17.36056006      2.56379824    -11.73830058
  H     18.14030970      4.12736761    -11.81020672
  H     17.65570369      6.90950372    -14.68427621
  O     17.94910341      9.47883571    -16.47531531
  H     16.70970626      9.34585991    -19.73358609
  H     17.23288342      8.29934182    -15.22816083
  O     15.87351047      3.81364203    -15.31173944
  H     16.23888390      8.18772411    -18.83956554
  H     12.31011705      4.91169736    -14.97394165
  O     18.29379533      5.46816865    -18.38162690
  H     15.54112955      6.79477161    -15.57422484
  H     12.93419354      5.61210389    -13.73749383
  O     14.90208632      3.00874246    -12.87958653
  H     14.07727820      6.21017994    -15.62966604
  H     12.74473092      3.18937167    -17.31429664
  O     17.28274256      3.18163989    -19.67330900
  H     18.41070163      4.26757929    -17.05190591
  H     13.98788000      2.34054699    -17.62766089
  O     19.04882634      5.71729043    -14.55083222
  H     18.37313358      2.75992909    -16.69785495
  H     15.34270211      6.42697653    -17.79220331
  O     16.93143292      7.55239071    -14.69725996
  H     15.40003357      2.28992346    -16.13675947
  H     15.29048381      5.79755409    -19.21682200
  O     12.69298201      5.74200521    -14.66252768
  H     16.06388810      1.20866438    -17.00911089
  H     16.89691518      6.07288988    -11.99620987
  O     13.37431524      2.98113047    -18.01276008
  H     17.56022142      1.63158684    -11.75972505
  H     16.30880746      7.06272854    -13.01472191
  O     15.69920550      6.49610672    -18.69249206
  H     16.45806677      2.65335891    -12.08558382
  H     18.33094221      0.59749756    -18.16888141
  O     16.10500432      6.58331009    -12.20074970
  H     18.13661440     10.40722367    -16.36467148
  H     17.60224925      1.91336183    -18.53110562
  O     17.79676496      1.29629144    -17.80138843
  H     17.46506009      9.38779273    -17.31439997
  H     10.80689792      2.99014669    -15.67657555
  O     11.71943192      3.26830745    -15.67354490
  H     16.79772332      3.78811040    -15.59082199
  H     12.22291372      2.56203480    -15.23212361
          69
 Energy    -248.62366599462965     
  O     12.17068699     10.31718523    -15.76894899
  H     12.47876304      9.50366291    -16.18939235
  H     20.30075328      6.84271025    -14.62163459
  O     15.62396628      6.36463319    -12.55451037
  H     12.86714654     10.97074918    -15.90382925
  H     16.23471774      9.89674407    -17.51866858
  O     17.53470338     10.32918919    -12.71266099
  H     15.00185193      6.67156436    -11.88256918
  H     17.26510596     10.38478586    -16.47020943
  O     12.69540333      5.47926638    -15.38179650
  H     16.49532709      6.73192241    -12.34516383
  H     15.11906287      7.70498491    -13.73087711
  O     14.88755327     10.62596417     -9.35778188
  H     17.65273337     10.66492312    -11.81497751
  H     15.83250849      8.12459067    -15.02197843
  O     13.72486745      7.51497998    -10.89741866
  H     16.65826288     10.62769549    -12.99447783
  H     11.47250226      9.89487688    -14.22525149
  O     14.98671241     10.93535466    -13.56603745
  H     12.47083050      5.93924670    -14.55229585
  H     10.19249914      9.83064419    -13.36096398
  O     17.04354262      7.26317005    -16.09637098
  H     12.09527717      4.74206543    -15.45409397
  H     17.87415877      7.89832371    -10.27270694
  O     15.11765507      7.89065915     -8.49420949
  H     14.22127829     10.59696643    -10.05670540
  H     17.73853650      9.22368320     -9.50893190
  O     18.50363238      9.49880065    -15.26790952
  H     14.87168893      9.75517195     -8.94174544
  H     12.56838123      6.93162753    -12.31352643
  O     15.58182337      5.17228526    -15.06947621
  H     13.57838815      8.44086277    -11.13863047
  H     11.68774494      7.77287097    -13.25313844
  O     20.11010264      7.52019460    -13.97527273
  H     14.11674867      7.52775591    -10.01525402
  H     17.78989207      8.56284802    -12.30768428
  O     16.49538761     10.65671112    -16.98482719
  H     14.77831610     11.49683980    -14.32072202
  H     18.80696573      7.45534771    -12.65579607
  O     15.11429233      8.37561169    -14.42575540
  H     14.98728522     10.02102165    -13.89831618
  H     17.83040782     11.82062621     -9.50609300
  O     11.11555194      9.59082372    -13.37214001
  H     16.62373556      6.44230945    -15.79265854
  H     16.54779122     10.99898045     -9.77897366
  O     17.63962860      8.26867170     -9.41135297
  H     16.65888873      7.48039717    -16.95458227
  H     14.70548307      8.13174372    -17.75981307
  O     12.07790776      6.89704783    -13.14360357
  H     16.04424835      7.94749078     -8.79062509
  H     15.34034205      8.05723626    -19.16938805
  O     18.02963729      7.64467986    -12.11501315
  H     15.12951700      7.49313383     -7.62801881
  H     12.40450739     10.05883445    -12.08734289
  O     17.49333406     11.07810105    -10.00015436
  H     18.19656428      9.81066457    -14.40461399
  H     13.85870488     10.54526669    -12.23375393
  O     15.52731774      8.27325776    -18.25961823
  H     18.05168145      8.66485538    -15.47305722
  H     14.43671020     12.98163045    -16.40055455
  O     13.22272721     10.19224831    -11.59381857
  H     14.63876657      5.17304963    -15.26784969
  H     15.16800329     11.61843868    -16.41520702
  O     14.40568821     12.09824824    -16.04344158
  H     15.63884913      5.40815792    -14.13137656
  H     13.04171089      7.03853511    -16.34521168
  O     13.40649763      7.91025061    -16.54181879
  H     19.77906498      8.27601387    -14.48108386
  H     13.93196161      8.13918903    -15.75812944
          69
 Energy    -248.62313271756619     
  O     -0.80545371      6.48448916     19.13782357
  H     -1.49941523      5.84183576     19.25470466
  H     -0.34387452      7.99904668     20.03896526
  O      4.66809467      9.91432127     20.19580602
  H      0.03404929      6.03437039     19.34598729
  H      0.41135177     12.01804730     20.20246665
  O      1.82720137      7.46030144     15.27866016
  H      5.11452996     10.55566497     19.63264669
  H      1.59413405     12.11154939     19.21193392
  O      2.95638102     10.95536291     22.06809841
  H      3.90006209      9.57503105     19.70806972
  H      4.80064216      9.64599402     16.51042572
  O      3.24046222     14.28476743     20.41533412
  H      0.99931063      7.64583702     15.76339666
  H      5.94656979     10.29335627     17.30549596
  O      3.32139822      6.26558784     21.81238075
  H      1.57781850      7.13516859     14.41885493
  H     -0.89537015     10.97216366     18.19281640
  O     -0.32751483      8.03178892     16.73960142
  H      2.33429695     11.37552879     21.45666835
  H      0.25653074     11.32176506     17.23943653
  O      4.24930576     13.88059200     17.97281774
  H      3.65882949     10.58445866     21.51264900
  H      2.39261332     11.39870101     16.91931996
  O      1.63747214      8.47138014     22.51470980
  H      2.46547103     13.70676908     20.39039494
  H      2.74360936     12.80072508     17.46980611
  O      2.47177220      8.86400326     18.90604586
  H      3.68593221     14.08435190     21.24944814
  H      5.39664290     12.51324629     18.28796412
  O      1.60466294      5.42911994     19.69327020
  H      4.09765277      6.58259697     21.31844704
  H      6.77018550     12.17870804     18.90128155
  O      0.02172906      8.82554070     20.37686920
  H      3.65173366      5.68023777     22.48956500
  H      4.23935929     13.47905186     23.74458898
  O      1.35035714     12.22988807     20.14058310
  H     -0.44005373      8.97174061     16.94564989
  H      3.84265294     12.44551445     22.68123321
  O      5.72079416      9.51735392     16.78093675
  H     -0.56306922      7.52857774     17.52576303
  H      2.75941815      9.52195028     17.27262403
  O     -0.51201765     10.74825213     17.33634222
  H      3.92394685     14.09319501     18.86820928
  H      2.60468460      9.10309430     15.79799064
  O      2.03194629     12.15389762     17.40663082
  H      4.36675366     14.70884780     17.51556919
  H     -2.04488627     11.21169805     20.57710155
  O      5.99362788     11.78247950     18.51110699
  H      2.26063569      7.75630067     22.33581553
  H     -0.83217117     10.31376637     20.22148777
  O      4.28877157     13.29773693     22.80911577
  H      2.13846349      9.29783435     22.51362184
  H      5.65217356      7.04326145     19.49679331
  O      2.97421024      9.79056514     16.36397084
  H      2.61680195      7.95666857     18.60581394
  H      5.29484283      8.20746239     20.43394665
  O     -1.23863895     11.18750641     20.06994397
  H      1.61653667      8.90206382     19.34966160
  H      6.57517937      6.49890032     17.15279414
  O      5.42642841      7.24888875     20.41071997
  H      2.13773361      5.66270049     20.46261516
  H      5.86276204      7.86418753     17.29856059
  O      5.84903131      6.93501812     17.59039282
  H      2.15607407      5.61100189     18.91895424
  H      2.71320842      6.68788292     16.73501595
  O      3.08687723      6.43651289     17.58951294
  H      0.51368567      8.64502374     21.19355035
  H      4.04669127      6.52769840     17.53319128
          69
 Energy    -248.62304904387722     
  O     11.16929528      9.57601533    -13.74444299
  H     11.61279130      9.52670082    -14.60287561
  H     21.03672316      8.47308574    -12.87461392
  O     16.28037568      6.62422108    -14.55806804
  H     11.57427906     10.31499164    -13.27625517
  H     14.01386979     12.21979722    -15.50454123
  O     16.81050786      9.06952637    -10.85823785
  H     15.64731139      6.01705223    -14.15130501
  H     15.13714979     12.07117068    -14.48526558
  O     16.62605583     10.91116973    -14.66858656
  H     16.95814983      6.78144732    -13.88682150
  H     14.06699562      9.00608616    -14.79986237
  O     13.11350033      6.80853208    -17.23695638
  H     15.89007285      9.29695069    -11.04141141
  H     15.26233456      8.10027962    -14.34297462
  O     15.12977476      5.83867949     -9.41502394
  H     16.84083418      8.74237118     -9.94728779
  H     10.98783228      7.96148774    -13.16236242
  O     14.55227453      5.09139229    -13.00741977
  H     16.78787178     10.77053945    -15.60753527
  H     10.03055704      6.84652809    -12.67710408
  O     14.15402275      9.50548701    -11.59956660
  H     16.00938888     10.20703339    -14.41352409
  H     13.21973297      5.30831607    -14.29609684
  O     16.51477880     10.20678302    -17.46344709
  H     12.68533744      6.30695629    -17.92526660
  H     11.91787756      6.12634744    -14.24886024
  O     16.80890517      4.59469891    -11.40066388
  H     12.90852177      6.35960183    -16.39575231
  H     17.94282277     10.71008461    -13.33635574
  O     15.85882666      7.60883611    -17.13163459
  H     14.39236318      6.15405578     -9.95343531
  H     17.97154404     10.09480114    -11.92047842
  O     20.13440458      8.28710925    -13.11929533
  H     15.69283694      5.32692068    -10.00805733
  H     17.47687821      7.65288234    -11.79227852
  O     14.23380043     12.40084877    -14.58488721
  H     14.11894001      5.72642224    -12.41689367
  H     18.75355133      7.28084874    -12.59317012
  O     14.78287125      8.91807908    -14.15933108
  H     15.27906326      4.71222963    -12.49831028
  H     16.57127360      7.93297250     -7.44656095
  O     10.94294777      7.02831687    -12.88575473
  H     14.37209095      9.25886887    -12.51435063
  H     16.09331530      7.13697132     -8.67365926
  O     12.53303475      5.69503865    -14.85451345
  H     13.61767959     10.30149106    -11.67555987
  H     13.85852443     11.94508700    -18.11988242
  O     18.53663700     10.44682704    -12.62217796
  H     17.27343163     10.24638060    -18.03971121
  H     14.91141376     11.05100088    -17.42629015
  O     17.89200651      6.94572628    -12.30680000
  H     16.29771140      9.26261024    -17.35370069
  H     12.40076363      6.88190729    -11.72193882
  O     16.65123830      7.88300077     -8.39481015
  H     17.26908373      5.40033700    -11.69412187
  H     13.56092871      7.80724185    -11.29242397
  O     14.02205856     11.42987584    -17.33363161
  H     17.47920388      3.93190119    -11.25753050
  H     13.18241542     11.99390178    -13.22939355
  O     13.26508226      6.88592804    -11.29228039
  H     16.15331372      7.18991084    -16.31089564
  H     12.28807685     12.50869629    -12.08061783
  O     12.61513684     11.71215560    -12.49032847
  H     14.95703144      7.29709893    -17.27208136
  H     13.08282712     10.02677035    -16.57107962
  O     12.72190533      9.30308126    -16.04429594
  H     19.64433930      9.11784253    -12.98321561
  H     12.78559842      8.49083567    -16.56342859
          69
 Energy    -248.62291118309918     
  O     -4.83764848      4.03055633      2.47173272
  H     -5.74576254      4.10259738      2.75520832
  H      0.82451810      2.56475591      4.45774857
  O     -2.98478462     -2.35824198      0.00973553
  H     -4.28790884      4.19304836      3.25802194
  H     -3.87114563      5.05277574     -1.31993568
  O     -0.92578490      4.74831496     -2.07721644
  H     -3.61724243     -3.06761929     -0.06414278
  H     -4.39927631      5.18600318     -2.76969382
  O     -3.21689835      2.06216475     -1.44930412
  H     -3.14044039     -1.76222032     -0.74535596
  H     -0.25609296     -1.23074750     -2.10369954
  O      1.35613275     -0.55491198      4.10951196
  H     -0.66452405      3.81956937     -2.12740707
  H      0.02835407     -1.05979015     -3.61540672
  O      1.47414127      5.87253312      1.75471201
  H     -1.86617178      4.77193460     -2.29221392
  H     -1.04175578      2.94563487      3.52013946
  O     -1.17162848      3.10447140      1.74881945
  H     -2.25252352      2.04903191     -1.54263125
  H     -1.25820903      1.87952324      4.63524896
  O     -1.41405353      0.08945747      4.65059994
  H     -3.52032528      2.91121374     -1.79395269
  H     -3.57637854      1.92311962      0.29814017
  O     -3.18222239     -0.66716033     -2.10096018
  H      1.84257370     -1.34851853      4.31666869
  H     -4.13237257      2.52562700      1.64087814
  O     -2.33467037     -0.51223759      2.03211975
  H      1.09349825     -0.62227215      3.17544187
  H     -3.08965135      5.17276171      5.25963951
  O      0.40617452     -0.53451876      1.54136527
  H      1.97662129      5.05139466      1.85468792
  H     -2.48193485      3.88162394      4.69125039
  O      1.71920517      2.27106509      4.24301872
  H      1.80972186      6.46597980      2.42309337
  H     -0.35721202      1.10217420     -2.26088941
  O     -3.81537963      4.67476487     -2.21689645
  H     -2.01329572      2.67656685      1.54850455
  H      0.13493406      1.95405042     -1.05664510
  O     -0.41200125     -0.65450115     -2.87331749
  H     -1.17339485      3.98792734      1.35384195
  H     -4.15654286      5.14103747      1.07056169
  O     -1.05729634      2.81562228      4.48122550
  H     -0.50431678     -0.22941235      4.61678755
  H     -2.83933716      5.72898888      0.49950275
  O     -3.58693480      1.82546353      1.26204603
  H     -1.83109950     -0.21171509      3.83232245
  H      1.75359462      2.43949770      0.92361484
  O     -3.26304068      4.45682294      4.65377435
  H     -3.36506562      0.26510075     -1.92381214
  H      0.21464491      2.36340963      1.00162267
  O     -0.44905002      1.95976687     -1.82755911
  H     -2.31163305     -0.68579719     -2.51730290
  H      0.16129635     -1.70524216      0.10516747
  O     -3.78291510      5.61099771      0.31714838
  H     -2.83369951      0.28499097      1.80300496
  H     -1.10125410     -2.42052857     -0.40648237
  O      0.98984110      1.98206639      0.55618887
  H     -2.62665286     -1.20705479      1.42910415
  H      3.81325895      3.33001036      2.15825838
  O     -0.19399996     -2.19586488     -0.64798460
  H      0.68155875      0.31153133      1.16152342
  H      2.48579422      3.03223855      2.89996825
  O      2.86731835      3.43140380      2.09611428
  H     -0.54682386     -0.48066767      1.71082768
  H     -0.86874834      5.35089620     -0.38630415
  O     -1.00225208      5.56646442      0.55005643
  H      1.69135670      1.30670032      4.27096019
  H     -0.14270255      5.78741684      0.93245818
          69
 Energy    -248.62288488222308     
  O     -0.93888505      4.85635968      2.57202922
  H     -1.68259992      4.28035545      2.34458777
  H      0.97663720      1.50749066      1.98005071
  O     -3.51342719      5.32352406     -0.31556853
  H     -0.36528811      4.88481044      1.78675746
  H     -0.69356835      3.71167937     -2.46206829
  O      4.25668957      6.79061227     -0.13427796
  H     -3.08502793      4.70170288      0.29283799
  H      0.56032634      2.88550984     -2.85398369
  O      1.92719306      7.42740856      1.10130084
  H     -4.34101734      4.87935429     -0.52014894
  H      0.30504643      8.04256894     -1.59631018
  O     -1.12513868      5.27564660     -1.76318672
  H      3.45461740      7.10209649      0.32187377
  H     -0.12878510      6.75927491     -2.31097874
  O      2.46920927      2.92579942     -0.12395193
  H      4.86098997      7.52800775     -0.16267584
  H     -3.51727843      1.39851257     -2.44149845
  O      0.65745219      5.01484315      0.34469004
  H      1.24049971      8.02900536      0.78726041
  H     -2.93762628      1.19829861     -1.03495817
  O     -2.06918699      7.20745749      1.22941984
  H      1.72854486      7.19045915      2.02023631
  H      3.57342566      4.36533215      3.00732186
  O     -1.23363129      1.65665196     -0.26266987
  H     -2.01782936      5.35464440     -1.40650263
  H      3.79192896      4.20531041      4.53171705
  O     -2.81205529      3.22909550      1.38743004
  H     -0.51767892      5.21810834     -1.00801640
  H     -1.77873999      2.11199900     -3.64138374
  O     -0.23295590      8.86646832      0.09180138
  H      2.48508266      2.87800524     -1.08814964
  H     -2.69501021      2.15045619     -4.87326064
  O      1.04186228      0.91036557      1.21176715
  H      2.04287940      2.13326094      0.22431143
  H      0.19353003      3.36887251      3.15115845
  O     -0.38643978      2.81897161     -2.68559781
  H      1.29324194      4.30369375      0.19642807
  H      1.68023569      3.18158640      3.50073054
  O      0.54082217      7.45709481     -2.32416107
  H      1.15521337      5.82729111      0.50239685
  H      2.53436520      4.17366244     -2.77110507
  O     -3.77050374      1.28071999     -1.51550086
  H     -1.74496120      6.54969041      1.85401809
  H      2.99277218      2.94210830     -3.59115431
  O      3.11770329      4.31763774      3.86721399
  H     -2.70222679      6.74117391      0.66867176
  H      0.41660296      5.96529488      3.44922289
  O     -2.60926761      1.76619616     -4.00438190
  H     -0.48141939      1.29682548      0.22151450
  H      1.90994158      5.76128233      3.76614038
  O      0.88763177      2.70463866      3.22203454
  H     -0.89259051      2.03186394     -1.08632821
  H      4.38435546      5.21036484      0.90103573
  O      2.39220174      3.21685840     -2.90404043
  H     -2.24394711      2.66264280      0.84300656
  H      3.71964314      3.82004362      0.85923366
  O      1.25026753      6.43731608      3.56080071
  H     -3.72170102      3.06930469      1.10429372
  H     -4.79876828      2.37584975     -0.64296902
  O      4.24540681      4.40883965      1.41873836
  H     -0.52756019      9.76929116      0.17785690
  H     -6.13280794      2.67196880      0.07636177
  O     -5.25361877      3.01258731     -0.06145212
  H     -0.92449838      8.30873900      0.48981322
  H      2.04578582      6.44309426     -2.43445211
  O      2.78671341      5.82031009     -2.40255730
  H      1.27658446      0.04953634      1.54734527
  H      3.37201898      6.12840472     -1.70248259
          69
 Ord_Energy   -248.622849    
 O    2.58389688       5.59580421      -5.56214046    
 H    2.53193402       5.63532591      -4.58988428    
 H    2.97077680       6.41628456      -5.85526609    
 O   -3.69872093       2.11112285      -6.95674372    
 H   -3.44547200       1.79979742      -6.07717609    
 H   -3.90948868       3.04636717      -6.84605932    
 O    3.09337258      0.779184699      -6.62263155    
 H    2.30026865       1.06055605      -7.09262419    
 H    3.43874192       1.57878852      -6.20104218    
 O   -2.14877439      0.733846605      -1.86535382    
 H   -1.59759200      -5.70179708E-02  -1.84372675    
 H   -1.71097708       1.37413812      -1.29182839    
 O   -1.87683976       2.00128889      -8.97322369    
 H   -2.54516435       1.96455240      -8.26504803    
 H   -2.24329901       1.53655446      -9.72069931    
 O  -0.566717565       2.62081552     -0.373420149    
 H  -0.417908818       3.25129557      -1.09889579    
 H  -0.761863351       3.13572621      0.405057192    
 O    3.23829937     -0.729444265      -4.27884769    
 H    2.43663001      -1.25847197      -4.25183773    
 H    3.22881818     -0.284525007      -5.13974762    
 O  -0.284309953      0.474897057      -5.16253853    
 H   0.337506294       1.02078331      -4.65637064    
 H   -1.17024195      0.799908280      -4.95321798    
 O   -3.79852962       4.97095156      -6.61386061    
 H   -3.11230516       5.00961351      -7.30472946    
 H   -4.43779612       5.64675760      -6.82102585    
 O  -0.255282700      -1.46204913      -1.78742695    
 H  -0.378027499      -2.27029848      -1.29481852    
 H    2.42006294E-02  -1.71945274      -2.68052649    
 O   0.566388488      -1.97187138      -4.37375212    
 H   0.238241747      -1.13594627      -4.75084782    
 H   0.507713854      -2.62791038      -5.06356573    
 O    3.67481709       3.04332495      -5.08907461    
 H    3.38202262       3.91466022      -5.38375568    
 H    4.15087748       3.18053484      -4.25960732    
 O    1.38536632       2.07251215      -3.69156837    
 H    2.18390918       2.31606650      -4.17530489    
 H    1.64361322       1.55757964      -2.91686773    
 O   -3.34970988E-02   4.13132143      -2.58286762    
 H  -0.748476565       4.36401272      -3.18925595    
 H   0.458676040       3.41283226      -3.01358008    
 O   -1.83404779       4.35132027      -4.67386723    
 H   -2.58855200       4.66847801      -5.18398905    
 H   -1.08434248       4.33006763      -5.28940535    
 O    3.96926618      0.854174376      -2.12735558    
 H    3.19647741      0.733138263      -1.56009603    
 H    3.83599520      0.266802788      -2.88694930    
 O    1.40405464      0.729493201      -1.12686944    
 H   0.794543326       1.37339580     -0.746032417    
 H   0.888358414      -6.87296316E-02  -1.29691613    
 O   -2.64389038       1.66113973      -4.40420961    
 H   -2.37284374       2.58965611      -4.40810347    
 H   -2.59349442       1.34368300      -3.49070835    
 O   -1.74991405       4.81222486      -8.39767456    
 H   -1.78753185       3.92545056      -8.77724171    
 H  -0.981798232       4.80168104      -7.80950832    
 O   0.516620457       1.73470497      -7.49151230    
 H   0.208156824       1.21561825      -6.73368502    
 H  -0.222415239       1.77104080      -8.11158085    
 O   0.254667610       4.32849360      -6.49012995    
 H    1.06707013       4.77831888      -6.23168707    
 H   0.477959394       3.44636130      -6.81910324    
 O    4.56475544       3.45134807      -2.46064091    
 H    4.38813829       2.50822544      -2.28660202    
 H    5.41898298       3.64143109      -2.08222747    
 O    2.48167539       5.42438364      -2.85986090    
 H    1.61081994       5.07856178      -2.62488675    
 H    3.13363171       4.76539230      -2.58924484    
          69
 Energy    -248.62284879092292     
  O     -6.26039181      3.67811017     -1.15173196
  H     -6.92954984      4.35616975     -1.17835211
  H      0.15894430      2.43688930      1.64446904
  O     -1.49581519      3.82545494     -3.39220585
  H     -6.18326695      3.39409836     -0.22140922
  H      0.28883116      3.21594449     -0.51300662
  O     -5.93780089      2.86536071      1.38263759
  H     -1.46855051      4.69896352     -3.77535904
  H      1.23623397      3.96996154      0.45414432
  O     -1.90263795     -2.16902120      1.47766975
  H     -2.22583864      3.83595672     -2.75253600
  H      3.15117938      0.53097790     -0.21227258
  O     -1.05902488     -0.01849331     -1.35416798
  H     -5.24708876      3.28181242      1.91193219
  H      3.91761405     -0.73678626      0.23653400
  O     -2.89951322     -2.15918746     -1.25893913
  H     -5.97792379      1.93404686      1.63087549
  H      2.01660175      1.86729644      2.63583760
  O      0.35429878      2.25364253     -2.07861615
  H     -1.04016515     -1.73878839      1.42283532
  H      3.14749671      1.13570638      1.89498388
  O      0.44376958     -0.61400421      0.92301546
  H     -2.20030911     -2.27630670      0.56735309
  H     -6.20375163      2.08819294     -2.07695841
  O      3.01221785      1.92266574     -1.25661379
  H     -1.66676977      0.56015632     -0.86577386
  H     -5.70917599      1.41511520     -3.36461907
  O     -3.80983070     -0.75916156      2.93248199
  H     -1.55758315     -0.82700431     -1.51953912
  H     -2.94417408      2.58499189      2.92391725
  O     -6.11273905      0.04305218      1.86852124
  H     -3.68084225     -1.61900966     -1.05048924
  H     -1.60881432      1.77320315      2.78679413
  O      0.12821681      1.76127858      2.33741250
  H     -3.21608644     -2.93646530     -1.71190679
  H     -5.40261009      0.07621495     -1.30701413
  O      0.31845052      3.69934736      0.32446231
  H     -0.21836026      2.79377680     -2.64083843
  H     -5.45648492     -0.36163766      0.19669243
  O      3.18378002     -0.17162573      0.46200634
  H     -0.08619365      1.40167570     -1.95676261
  H     -3.66545710      0.79872334     -0.14542855
  O      2.96084923      1.91441987      2.43428632
  H      0.01168775     -0.43278725      0.07625240
  H     -2.82548207      1.50530852      0.96462644
  O     -6.06842499      1.22706696     -2.49970350
  H      1.39621331     -0.59302194      0.76619939
  H     -1.26218922      4.61245259      0.66096913
  O     -2.57429339      1.70519091      2.78527551
  H      3.14635966      2.71022901     -0.71565343
  H     -2.62018488      4.69534006     -0.05698360
  O     -4.95314026     -0.44260932     -0.62380862
  H      2.14642110      2.03127443     -1.67420298
  H     -4.40719719      3.82950723     -1.42192927
  O     -2.94911466      1.42829115      0.01011409
  H     -3.17743575     -1.34366454      2.49193373
  H     -3.25229833      2.92033660     -0.93505277
  O     -2.16071968      4.95657752      0.75145253
  H     -3.35388699      0.08763591      3.03937740
  H     -3.88172528      4.89997524      3.40733963
  O     -3.44894260      3.72965573     -1.43309960
  H     -6.85570673     -0.34230658      2.32440300
  H     -3.20672760      4.53887277      2.06092028
  O     -3.80474747      4.20818037      2.75609865
  H     -5.30724707     -0.28980282      2.30878705
  H      3.71426955      4.68925647      0.97773740
  O      3.08989750      4.01896956      0.71512569
  H      0.20508768      0.90009629      1.89960535
  H      3.12303051      3.32031221      1.39351538
          69
 Energy    -248.62270184300212     
  O     -3.31798471     -0.71701313      6.86262897
  H     -2.48879812     -1.19592848      6.72644037
  H     -0.18678850     -6.52950294      1.56771241
  O      1.70386078     -0.42616504      1.59161808
  H     -4.01837919     -1.37795717      6.79435348
  H      2.65561503     -3.70913930      4.55624463
  O     -1.94315580      0.01915180      2.90100043
  H      0.88471382     -0.43828794      1.06396165
  H      1.80197849     -2.43747058      4.75028589
  O      0.80456355     -3.96617148      7.28451937
  H      2.16342217      0.37841997      1.36598237
  H     -0.16341846     -4.51895809      2.99504891
  O     -5.17685689     -2.78649310      6.21951366
  H     -1.19818448     -0.38936956      3.35594357
  H     -1.52211097     -3.81884874      2.71743711
  O     -1.07770720     -2.23318396      6.13905787
  H     -2.49409505      0.45321243      3.56631532
  H     -3.31855813     -4.76119480      1.92156630
  O     -0.60907558     -5.91311411      5.72887727
  H      1.28715154     -4.01103201      8.10521134
  H     -3.59372032     -3.32428586      2.44488205
  O     -5.57645073     -1.02439967      3.95708421
  H      1.43652475     -3.68964424      6.59592227
  H      3.96236081     -5.26474214      3.03392080
  O     -0.73690372     -0.41543001      0.39744238
  H     -5.81173679     -3.29764777      6.71511474
  H      2.98131330     -4.23819695      2.42070903
  O      0.57327187     -6.13542694      3.26289713
  H     -4.45485021     -3.39214533      5.98358557
  H     -4.66298239     -1.48243290      2.46440233
  O     -3.05706566     -5.48888385      0.23792239
  H     -0.47569563     -2.78053354      6.66078221
  H     -3.20079574     -1.09918358      2.18900507
  O     -0.55677673     -6.44247458      0.67933800
  H     -0.55620964     -1.85518879      5.42082796
  H      1.89985686     -3.38733487      0.59347577
  O      2.31814010     -3.09848056      5.22418638
  H     -0.11364206     -5.35582469      6.34142717
  H      2.46873438     -2.16107716      1.31264301
  O     -0.56871602     -3.67309181      2.75845990
  H     -1.49271179     -5.52926442      5.68343778
  H      0.04727280     -2.23140763      3.44764281
  O     -3.29069936     -4.20538956      2.71025718
  H     -5.07198180     -0.25262136      4.24201333
  H      0.91865375     -0.97182896      3.17663675
  O      3.11029645     -4.85614654      3.16296277
  H     -5.54279704     -1.64494758      4.69526214
  H     -0.04077662     -3.69652120      1.01116593
  O     -3.91820224     -1.66577056      1.87297836
  H     -1.26016091     -1.12675705      0.01314699
  H     -0.57727270     -3.36558662     -0.37313438
  O      2.62923950     -3.09930676      1.15989904
  H     -1.23484436     -0.10191520      1.16539109
  H     -3.92210875      1.88991100      5.14952352
  O      0.38032440     -1.40864614      3.84950275
  H      0.21442961     -6.18444887      4.16276250
  H     -3.53869686      0.46419659      5.61884369
  O      0.17065245     -3.78113988      0.06714450
  H      1.49030822     -5.83839811      3.31003253
  H     -2.30601183     -3.54180221      5.59613642
  O     -3.69323879      1.01997502      4.83365076
  H     -2.19610508     -5.91932951      0.38611292
  H     -3.11118643     -4.30208245      4.49042254
  O     -2.96107027     -4.23841458      5.44578898
  H     -3.58962904     -6.10281348     -0.26050888
  H     -2.68232419     -3.63031382     -0.28948183
  O     -2.45203784     -2.69327562     -0.32723015
  H     -0.14921228     -5.64931481      0.30538414
  H     -3.05886626     -2.27151882      0.29748994
          69
 Energy    -248.62244067334163     
  O     11.36550664      8.28537590     -9.14502888
  H     11.08420001      9.01454341     -9.72430789
  H     16.93337784      9.64617909    -10.94395090
  O     14.22565011      9.52127753    -17.03720121
  H     10.58800453      7.76652788     -8.95668348
  H     15.45757990      8.00339773    -11.48968639
  O     15.16495120      9.07394787    -14.41467299
  H     14.56353037      9.26940492    -17.89279603
  H     16.08550499      8.42862486    -12.82914631
  O     12.11685162     12.47681593     -7.38064235
  H     13.49667223      8.90780028    -16.83201333
  H     12.21003940     15.30627288    -11.82968172
  O     12.30590027     11.64408362    -16.61375592
  H     14.31442564      8.73731024    -14.09283782
  H     11.99136440     13.95280851    -11.12303938
  O     12.68707975      8.24387748    -13.46577770
  H     15.04296686      9.23268509    -15.35816004
  H     13.77377148      9.08967632    -10.76545972
  O     13.64641469     10.91401300    -10.78417517
  H     12.08232707     13.00424284     -6.58647666
  H     12.94467098      7.91880331    -10.21738617
  O     13.13249556      9.77059750     -7.46076668
  H     12.99112756     12.63353378     -7.78414512
  H     18.08971368     12.84070978    -12.20726249
  O     15.21467378     14.23206007    -10.68993903
  H     13.06301452     11.06418895    -16.76105793
  H     17.23327825     11.85153148    -11.37612413
  O     10.93854409     10.41928768    -10.82709516
  H     12.45852855     12.10269081    -15.77662401
  H     10.46922067     10.25270767    -14.42830794
  O     12.59599302     12.59038931    -13.95885360
  H     12.94960618      8.07418460    -12.55216069
  H     11.45335271     11.19672940    -13.68991722
  O     17.14625706     10.43727691    -10.42620100
  H     12.06980404      8.98833654    -13.45101418
  H     15.15657603     11.99963523     -8.36664295
  O     16.29296550      8.25759644    -11.90264893
  H     14.13493834     11.16038531    -11.58029725
  H     14.86197275     13.26906712     -9.27190332
  O     12.52299726     14.40486240    -11.80129525
  H     13.91840330     11.50389182    -10.07347480
  H     15.14318058     10.67663059    -13.61622145
  O     13.65389081      8.12941608    -10.83408258
  H     12.67011104     10.61121106     -7.35621856
  H     15.80180097     11.90702429    -12.89772112
  O     17.19210987     12.62151713    -11.97507428
  H     12.53435419      9.19731774     -7.95400230
  H      9.41397098     10.26150659    -16.83309632
  O     10.89478763     10.41293729    -13.57783651
  H     15.88236703     13.78742302    -11.22665264
  H     10.86664504     10.66260791    -16.47319328
  O     14.49269893     12.64989520     -8.62483609
  H     14.39940373     14.27873924    -11.20382236
  H     14.87278552     10.00415495     -7.75531807
  O     14.96373009     11.52018297    -13.17869984
  H     10.71504677     10.36830336    -11.76592040
  H     16.29100353      9.95823604     -7.14824077
  O     10.14545677     10.04033670    -16.26377528
  H     11.88433304     10.64108292    -10.79331814
  H     11.28198176     12.96304558     -9.02036785
  O     15.79603484     10.27675031     -7.89900057
  H     13.47355611     12.22448168    -13.76681747
  H     10.76892707     12.20768241    -10.25083573
  O     11.00989681     13.08886847     -9.93732404
  H     12.46534858     13.29089798    -13.30909009
  H     12.28177807      7.84478333    -15.28582777
  O     12.12827430      7.97442947    -16.23139655
  H     16.71886089     10.32473946     -9.57085046
  H     11.34602426      8.53671076    -16.29744390
          69
 Energy    -248.62166360842974     
  O     -3.41725580      8.90366504     -0.79945648
  H     -3.29675516      9.76978726     -0.41530955
  H     -1.97448247     -1.37550354     -2.48310478
  O     -2.57586457      0.69197228     -4.86875386
  H     -3.33552170      8.26862575     -0.07239115
  H     -3.96522350      7.73066297     -6.07859083
  O     -0.87573834      2.98544638     -4.70991986
  H     -3.42253300      1.14892345     -4.77157051
  H     -3.40083757      7.57651034     -4.64711756
  O      1.04028198      5.77578918     -0.28719830
  H     -1.91658215      1.38520290     -5.00232767
  H     -5.78718405      6.92304709     -1.09111487
  O     -6.25973602      6.23232399     -3.88497613
  H     -1.65681435      3.55592135     -4.76519223
  H     -5.23879359      8.30840952     -1.41734447
  O      1.82791246      3.63275801     -2.01715682
  H     -0.11299834      3.57384416     -4.75734874
  H     -4.21627636      5.39588130     -1.05491541
  O     -4.07087496      1.42153072     -1.60331425
  H      0.27573220      5.54504042      0.27039902
  H     -5.42463748      4.63916453     -0.42528991
  O     -0.32821993      6.47889573     -2.64521964
  H      1.67051875      6.21432822      0.27805452
  H     -3.77553712      7.06174923      2.13024504
  O     -0.30734092      1.80256550     -2.22430021
  H     -6.26230826      6.82471745     -3.11940234
  H     -4.00054931      6.37280954      0.76389811
  O     -2.06609528      2.96864092     -0.42785620
  H     -5.53328758      6.53075781     -4.44162477
  H     -1.89263774      5.75491062      1.18934605
  O     -4.74830745      2.36634456     -4.16474151
  H      1.19769080      2.90248113     -1.95126105
  H     -1.52953172      4.31662925      0.73657616
  O     -2.05031723     -0.42572438     -2.45694692
  H      1.59759519      4.26920734     -1.32879625
  H     -6.81973428      4.61446919     -3.64054349
  O     -3.93544033      7.13769946     -5.33287212
  H     -3.47895790      0.67514701     -1.75294417
  H     -8.02286181      3.65491354     -3.78574506
  O     -5.99993447      7.73908477     -1.56706479
  H     -4.29156661      1.76330648     -2.48271631
  H     -3.40097353      5.38558646     -5.06849119
  O     -4.90792688      5.45511263     -0.37905096
  H      0.17107061      6.36148267     -1.82628398
  H     -3.06573874      4.74635505     -3.70261038
  O     -3.39773991      6.95671474      1.26017449
  H      0.15127374      5.99408464     -3.32852088
  H     -6.62253268      3.27631712     -1.69678352
  O     -1.16376439      5.12937790      1.11312726
  H     -0.74859737      0.94441342     -2.21568789
  H     -5.58455420      2.40552006     -0.95507164
  O     -7.11763213      3.69865050     -3.48986641
  H     -0.52597319      2.20898680     -3.07634563
  H     -1.92542294      5.65351081     -2.19266621
  O     -3.14156401      4.55629014     -4.65160302
  H     -2.85630067      2.46480131     -0.66484882
  H     -2.44790524      4.37219051     -1.47786388
  O     -6.22919391      3.11307300     -0.82941333
  H     -1.34866646      2.58662583     -0.95303947
  H      1.55741369      4.38631299     -3.55971121
  O     -2.71497715      5.12321552     -2.02613115
  H     -4.22091363      3.13808189     -4.41824918
  H      2.00354153      5.03700288     -4.89386418
  O      1.23667548      4.82959860     -4.36690193
  H     -5.64191448      2.70028341     -4.01742626
  H     -1.57995631      7.75724357     -3.19343202
  O     -2.38896899      8.24848575     -3.38723896
  H     -2.23610603     -0.13139289     -3.36782966
  H     -2.75679316      8.49494664     -2.53002859
          69
 Energy    -248.62162146958281     
  O     14.26032418      9.68462585    -10.46649845
  H     13.88511436     10.20099356    -11.19146532
  H     18.12172206      4.68991609    -12.50462539
  O     13.99252021     10.18799058    -16.33334386
  H     13.61328078      9.00943338    -10.20781713
  H     12.35283740      7.15532596    -10.72456650
  O     16.21645841     11.20612729    -13.44882931
  H     13.35313700      9.69966685    -15.80360796
  H     13.19744723      6.94535099     -9.42978408
  O     13.60912487      4.62207169    -12.98434363
  H     14.00019246     11.08416495    -15.97329456
  H     18.64765009      7.90078092    -13.70567366
  O     16.79973309      7.44821870     -8.43768738
  H     15.36559236     10.91405551    -13.09763233
  H     18.02500365      8.25353719    -15.08082249
  O     15.77808527      7.73439783    -11.85045973
  H     16.84131122     11.20802860    -12.70934567
  H     15.15443734     12.31639144    -14.45328340
  O     13.45090894     10.86430978    -12.80483920
  H     14.21219697      4.68334884    -12.22890137
  H     14.49091940     13.57508292    -15.05352607
  O     18.48315947      8.26436330    -11.91423909
  H     14.17640224      4.54173517    -13.75775607
  H     12.15009618      8.00322697    -13.61050153
  O     17.87943951     10.92006620    -11.30660389
  H     16.76687243      8.40250619     -8.57584295
  H     13.48032931      8.16922565    -14.34603417
  O     18.19992396      4.93927857    -14.42853225
  H     17.59239722      7.12804009     -8.88436317
  H     10.88107721      6.10560424    -12.44000933
  O     15.53971015      4.72730662    -15.14695946
  H     15.46747145      7.64466601    -12.76246845
  H     12.38262703      5.83426333    -12.67453082
  O     18.06419630      4.59791057    -11.54774825
  H     15.24086389      8.39749466    -11.40126796
  H     14.39703770      5.59919378     -7.56451940
  O     12.65885111      7.58224456     -9.91525439
  H     13.45535624     11.60160920    -13.42378665
  H     15.33438258      6.51503814     -8.38701551
  O     18.55830568      7.59568647    -14.62034015
  H     13.09520241     10.09754736    -13.28018167
  H     15.08475252      5.22812042    -10.03942298
  O     14.34213460     12.65116169    -14.86996977
  H     18.86674244      7.71900743    -11.21802441
  H     15.56332071      6.06194383    -11.24490173
  O     12.63583580      8.61588244    -14.17504679
  H     17.52805905      8.09309428    -11.88546038
  H     19.89185142      6.12668193     -9.44089530
  O     11.73853831      6.52464785    -12.43744702
  H     17.46317139     10.79633278    -10.44569432
  H     18.77444360      5.73486366    -10.43761638
  O     14.52857368      5.96790692     -8.43357421
  H     18.25895069     10.05830583    -11.52984005
  H     15.21250973      6.51364163    -14.79985867
  O     15.41009264      5.15195903    -10.94409154
  H     18.97580927      4.51148543    -14.78218780
  H     15.66493688      8.01511948    -14.91875092
  O     19.09575171      6.44744163     -9.85588894
  H     18.34186877      5.89912274    -14.52637608
  H     16.19659435     10.84633237     -8.22505148
  O     15.05569914      7.40749742    -14.47711335
  H     16.47594154      4.71766534    -14.88991582
  H     15.60674823     10.09579344     -9.44180844
  O     16.42105514     10.24078327     -8.92742771
  H     15.48429847      4.30498565    -16.00103782
  H     15.76915390      9.65786561    -16.05189522
  O     16.57771086      9.42753665    -15.57109392
  H     17.12209034      4.63675284    -11.32743433
  H     16.61285605     10.04837837    -14.82840414
          69
 Energy    -248.62161704720549     
  O      9.90888611     10.10607600     -9.07051639
  H     10.03640895     10.69100461     -9.83708538
  H     10.77955481     12.58248749    -11.09681845
  O     13.99296262      8.36314144    -16.51323396
  H      8.99663038     10.20069224     -8.80620927
  H     13.80799721     13.06637097    -13.46172676
  O     10.94841537      7.89454187    -10.59179143
  H     14.52286974      8.13011868    -17.27068035
  H     14.23298232     11.59891378    -13.64063257
  O     14.08911458      7.93276248    -13.74346979
  H     13.85288498      9.32596832    -16.55287605
  H     16.59090734      8.47222103    -11.19445728
  O     13.19127569     12.74743793     -8.78858340
  H     11.82193107      7.78333769    -10.19340377
  H     18.01812190      9.05412915    -11.33603149
  O     13.38460290     11.02182023    -16.55046780
  H     10.50273509      8.54977180    -10.04269896
  H     14.78372428      7.39866760    -10.73606160
  O     11.41200376      8.36326083    -13.26046608
  H     14.16010519      7.97807948    -14.70460917
  H     15.02594852      7.23742291    -12.25169091
  O     14.51128472      9.43828238     -7.27418048
  H     13.14653183      8.00084938    -13.52848398
  H     14.57362391     15.18265931    -12.32357428
  O     13.11901533     10.72710253    -10.69460738
  H     13.20277195     12.00048928     -9.41090065
  H     14.76327572     14.00073001    -11.35302880
  O     12.09740969     10.69091790     -7.26715338
  H     14.04833271     13.17077151     -8.89854599
  H     13.37249356      9.06478257    -10.00949460
  O     15.73389796     13.51964172     -9.83730598
  H     13.56209210     11.57317279    -15.77808138
  H     13.91746711      8.40144230     -8.73996255
  O     10.49150973     11.66852387    -11.24225997
  H     12.42563994     11.02263219    -16.66457032
  H     11.98194490     11.56434415    -13.89631861
  O     13.66358894     12.29018559    -14.01398536
  H     11.29224867      9.31322527    -13.38677558
  H     10.79242148     11.04527832    -14.74719804
  O     17.11673232      9.29125813    -11.13689075
  H     11.16733030      8.15052918    -12.34821854
  H     14.70914023      9.48278097    -13.10569055
  O     15.46179906      7.17854398    -11.39150678
  H     13.63641288      9.86175826     -7.20754655
  H     15.81829344     10.11602882    -12.22852622
  O     14.23135761     14.31956802    -12.09875606
  H     14.73907606      9.14335652     -6.39658688
  H      9.81232181     10.75334095    -17.14963260
  O     13.56915309      8.20049130     -9.61589955
  H     12.24381287     10.95911674    -11.02800300
  H     10.67449817      9.68179046    -16.43631236
  O     11.12275535     11.12231544    -13.84392757
  H     13.73608470     10.67102765    -11.43478964
  H     15.64604932     10.46811176     -8.45266468
  O     15.01730157     10.31891693    -12.72439558
  H     11.34763594     10.42287279     -7.81155903
  H     16.54443787     10.34765486     -9.71077318
  O     10.53845575     10.64109182    -16.54299375
  H     12.39502562     11.53910726     -7.62586575
  H     12.42457251     14.26667165    -11.30619291
  O     16.18853254     10.97450982     -9.06851167
  H     15.91805160     12.59237490     -9.59815053
  H     12.07113663     13.76091967     -9.91121882
  O     11.67290039     14.08983187    -10.72977810
  H     16.41429242     14.04100305     -9.41860666
  H     12.09832577      7.98699400    -16.28518808
  O     11.16507861      8.05039163    -16.04762260
  H     10.51736025     11.50514946    -12.19445083
  H     11.13302484      7.97358437    -15.08355280
          69
 Energy    -248.62149366179881     
  O      2.60760392     -0.71689583      5.94688566
  H      2.31447805      0.18905527      5.78443672
  H      5.79585895      0.33194522      2.48600151
  O     -0.28293150      1.54226734      7.68307834
  H      2.93371522     -1.08562188      5.11436423
  H      1.91879180      1.51202124      1.08022556
  O     -0.22574299     -4.38308207      2.68056198
  H     -0.30683356      0.65210807      8.07667124
  H      1.59129937      2.94411067      0.59982353
  O     -2.58091019     -2.70668180      8.05416674
  H     -0.40874095      2.15806755      8.40074620
  H     -0.45861911      0.86519487      3.15523341
  O      3.50458178     -2.09205308      3.65838870
  H      0.07454371     -4.61793045      3.56988836
  H      0.23654220      2.14768287      2.66843429
  O      3.58367665     -4.33051388      5.27561156
  H     -1.08285456     -3.96018820      2.79892789
  H      2.29884166     -0.89745086      0.89696466
  O      3.38106529     -2.74166752      7.65640898
  H     -3.45645312     -2.81601166      8.41620771
  H      3.52626156     -0.03179278      1.23299493
  O     -0.44009254     -0.92947744      8.78316737
  H     -2.68688175     -2.28500887      7.18487595
  H     -1.68149964      1.58912399      4.76366751
  O      1.41118119     -2.96976898      9.47404158
  H      4.09431850     -1.41651702      3.29962791
  H     -1.59789750      1.41610367      6.29005728
  O     -0.33277235     -4.50682027      7.82166332
  H      2.79456571     -2.22579258      3.01356829
  H      2.86481709      2.41428703      2.80471468
  O      1.45912875     -2.36061329      1.79866731
  H      3.62723965     -3.56680829      4.67581811
  H      2.90885470      2.16885752      4.32408242
  O      4.88243321      0.08828554      2.60810344
  H      4.22795432     -4.96094735      4.96286385
  H      0.95798817     -1.47915576      5.69292884
  O      1.59695046      2.38369575      1.37136236
  H      3.54153583     -3.40000998      6.97138719
  H      0.37650142     -2.86480130      5.28769997
  O     -0.30978995      1.79690171      3.38172851
  H      3.17796100     -1.92426247      7.17780650
  H     -2.54801922     -0.50414104      5.57047825
  O      2.69988672     -0.03463341      0.73429223
  H      0.25241554     -1.54306879      9.05716662
  H     -1.52994765     -1.66200221      5.61655128
  O     -2.16973995      1.25932377      5.52769664
  H     -1.21316363     -1.47862938      8.60875712
  H     -2.74418255     -2.34542581      4.03047601
  O      3.46196066      2.20163138      3.53350204
  H      2.16274699     -2.90439769      8.85803920
  H     -3.57093722     -2.88964839      2.84576027
  O      0.18683108     -1.91751682      5.31600028
  H      1.77538990     -3.17840613     10.32991148
  H      0.38540121     -4.71696398      6.20133403
  O     -2.48226797     -1.46892544      5.62363121
  H     -1.15799353     -4.01311186      7.89352618
  H      1.71459662     -4.65618386      5.36889435
  O     -2.67791020     -2.72940141      3.14079943
  H      0.27754870     -4.07212075      8.43100858
  H      0.85882599      1.79225330      4.78073011
  O      0.75247723     -4.62917541      5.30772518
  H      1.00907555     -3.20310465      1.95303346
  H      0.96335977      1.77768055      6.32379563
  O      1.49043045      1.77279251      5.51469187
  H      0.79900698     -1.70110964      2.05800326
  H     -0.22831648     -1.19645317      3.73459529
  O     -0.57966148     -0.86918044      2.89015871
  H      4.43532966      0.86001395      3.00077798
  H     -1.37458642     -1.39099228      2.73006960
          69
 Energy    -248.62122664153310     
  O     14.42707029      5.95986950    -17.72538231
  H     13.90821041      6.77425028    -17.59134622
  H     14.88013644      6.61601021    -11.18953751
  O     13.82553201      5.66538743    -12.29848023
  H     14.46811755      5.81448386    -18.66665458
  H     13.40446083      8.71902660    -13.17626476
  O     17.74552348      5.69688331    -10.75278377
  H     12.94586689      5.32898152    -12.09538774
  H     14.37690367      8.13970032    -14.24847323
  O     13.19651713      4.27338193    -15.78742575
  H     13.70432243      6.46648348    -12.83517160
  H     14.29608074     11.04089949    -15.72339650
  O     10.46843473      9.28049198    -12.83845705
  H     16.94375745      6.19976247    -10.55969447
  H     15.13595593      9.77101410    -15.88474946
  O     12.96585360      8.17229094    -17.28734607
  H     18.36352905      6.32490249    -11.14676220
  H     10.72143955      4.11742948    -11.66081359
  O     19.32618547      7.49402076    -12.34901554
  H     13.56894398      4.80607736    -16.50104777
  H     10.94538344      4.88060203    -12.98510683
  O     11.21145487      7.69250121    -15.10935362
  H     13.93110547      4.06410464    -15.19680767
  H     10.99829529      6.61372213    -11.16586357
  O     17.71703343      3.63807595    -12.52961416
  H     10.57070990      8.83657105    -13.69000221
  H     10.72738377      8.10311704    -11.47933339
  O     18.82173739      5.64616110    -14.26275551
  H     11.27568084      9.79271325    -12.70089853
  H     16.14105948      3.82977393    -13.50296369
  O     16.48016253      5.93356355    -15.80897029
  H     12.23563556      8.07352921    -16.66454659
  H     14.83630596      4.65124633    -13.34231971
  O     15.38358150      7.25374496    -10.66215918
  H     13.42980439      8.98474185    -17.04156329
  H     10.11640215      4.45316649    -15.33560590
  O     13.58243467      7.94955987    -13.73489820
  H     20.25583829      7.70294669    -12.32517347
  H     11.64405825      4.62920812    -15.15327432
  O     14.47650214     10.32591270    -16.33035309
  H     19.19523549      6.87538332    -13.09059032
  H     12.41060902      8.23318182    -10.03084285
  O     11.13418659      4.89322649    -12.03299041
  H     12.06794388      7.76003011    -14.65627493
  H     12.93969597      9.05785704     -8.83316387
  O     11.05330213      7.49924537    -10.79430724
  H     10.94836675      6.76858086    -15.03932164
  H     16.27750768      7.63721539    -15.24871548
  O     15.36595028      4.14883623    -13.98025476
  H     18.12226986      2.86492364    -12.14632109
  H     16.43002781      8.64334798    -14.05876943
  O     10.77397622      4.86606716    -14.78180317
  H     17.69441562      4.31861320    -11.83303439
  H     13.16553462      9.79905863    -11.25191638
  O     13.18275511      8.72480141     -9.69282500
  H     18.14592995      5.77989500    -14.93975520
  H     13.91502036     10.68978039    -12.28474456
  O     16.03228302      8.51594436    -14.92932799
  H     18.54466969      4.86723978    -13.76405886
  H     16.14099559     12.08701333    -12.45419162
  O     13.11230253     10.16864979    -12.14280351
  H     15.88354042      5.94749991    -16.56810477
  H     16.13821755     10.54885875    -12.46204590
  O     15.57413979     11.32998816    -12.57826379
  H     16.09296122      5.31516346    -15.17185961
  H     17.81523012      8.53337745    -12.30031451
  O     16.92883785      8.91624343    -12.30942686
  H     14.72312759      7.78290526    -10.19867002
  H     16.37443750      8.36474388    -11.73924007
          69
 Energy    -248.62120608993087     
  O      0.14416959      3.13305492      4.17381693
  H     -0.00348127      3.78151493      3.47500301
  H     -0.61285822     -0.06726951      2.22456039
  O     -2.12148536      1.53189349      4.44631158
  H     -0.68648196      2.64530834      4.26841005
  H     -3.69910845     -1.83035090      2.24217610
  O      1.00136737      1.93970707      6.60627334
  H     -1.78717649      0.99714023      5.17909290
  H     -3.47988080     -1.59828222      0.70066776
  O      0.08132546      2.01874746     -1.31285903
  H     -1.93176435      1.03267401      3.63469832
  H     -3.84923850      1.65026748      4.03457365
  O     -1.04025003     -0.63477076     -1.29195667
  H      0.27638706      1.31302161      6.72584429
  H     -5.31451093      2.10097823      4.23378958
  O     -4.51302166     -1.31285112      3.70945856
  H      0.73510036      2.51884599      5.87965199
  H      1.11489573     -1.10306531      1.59006345
  O     -3.90601887     -0.47681157     -0.70031502
  H      0.74797928      2.28918744     -0.65703233
  H      1.61043645      0.17149085      2.41881356
  O     -1.80218046      2.54607078      0.67603333
  H      0.38989415      2.33423297     -2.15848967
  H      0.11701682     -1.68711693     -0.35534330
  O     -2.90244851     -2.14995245      5.92377329
  H     -1.98584520     -0.53044827     -1.14131855
  H      0.18544774     -2.81928413      0.69676941
  O     -1.09068253     -3.81282440      1.76625139
  H     -0.66650798      0.25384332     -1.33062797
  H      2.44601232      1.10564060      6.04554255
  O     -0.87051566     -3.30430971      4.57097854
  H     -4.69620352     -0.36744873      3.75521950
  H      3.91969686      0.64832260      6.15972304
  O     -1.53017027      0.23171063      2.14843846
  H     -4.01645268     -1.54231936      4.50521695
  H      1.13645075      3.67910458      1.02475686
  O     -3.11128469     -2.01077227      1.49138723
  H     -4.17268995      0.30492834     -0.18574041
  H      2.12042003      2.55934549      1.39622813
  O     -4.75272035      1.55562426      3.68846151
  H     -4.55684426     -0.58675970     -1.38866276
  H     -1.68315927     -0.77609585      6.36899075
  O      1.03819114     -0.60436366      2.41752395
  H     -1.27534436      2.42515647     -0.12481977
  H     -0.23178131     -0.56518821      5.88776857
  O      0.71860276     -2.15574532      0.24260528
  H     -1.69789081      1.72976121      1.19039670
  H      1.93448690     -0.89951589      5.31705596
  O      3.14746840      0.59415497      5.60322484
  H     -3.25645459     -2.77361536      6.55286708
  H      1.08466141     -1.17729244      4.06739761
  O      1.70838999      3.00170753      0.64354586
  H     -2.20992149     -2.62143879      5.42397359
  H      2.82012410      1.36960215      3.85260853
  O     -0.97102733     -0.12541749      6.33486926
  H     -1.84262233     -3.20960471      1.63098117
  H      1.59287402      2.21512752      3.46496576
  O      1.15755890     -1.38147428      5.01410548
  H     -1.36936261     -4.67084188      1.45461643
  H     -3.63207245      2.17581062      0.72820342
  O      2.35837384      1.74940639      3.09583238
  H     -0.06420256     -2.80565328      4.75532821
  H     -4.65310588      1.66212857      1.76583139
  O     -4.47451430      1.70948862      0.81931929
  H     -0.86364877     -3.51167321      3.62892650
  H     -0.97854455      3.92348319      1.45073838
  O     -0.38877672      4.59352495      1.83785928
  H     -2.06443222     -0.53364416      1.90866321
  H     -0.75209364      5.44622856      1.61369219
          69
 Energy    -248.62100329007538     
  O     15.84000884     10.02116013    -16.79996611
  H     14.96779951     10.24557997    -16.45976899
  H     17.42671090      5.28640017    -12.33509101
  O     16.07308211      4.93866914    -13.37484229
  H     16.44263035     10.76004852    -16.62067075
  H     19.80646520      9.54563077    -17.07630777
  O     19.52087669      9.03525087    -14.21588678
  H     15.18426843      5.30445880    -13.30636058
  H     20.85558430     10.68276870    -17.07368442
  O     14.83536101      6.14595260    -17.63300235
  H     16.35380942      5.08827302    -14.28821118
  H     16.36513612      8.30329114    -14.13370577
  O     16.70524393     10.44743155     -9.60192643
  H     18.62322559      8.76320078    -14.46599934
  H     16.56625872      8.87803128    -15.57750279
  O     15.27075191      8.37467579    -12.68611148
  H     19.87389718      9.52006243    -14.97120728
  H     13.69016368     10.62539956    -14.64714119
  O     17.12412160     12.03939494    -13.26306723
  H     15.57458504      5.90993706    -17.04581440
  H     12.62907067     10.92840318    -15.72903903
  O     20.03668157      6.31055249    -13.87458069
  H     14.57602671      5.34558041    -18.08297942
  H     17.64598322      7.14449095    -11.03526117
  O     13.53155688      6.29399116    -13.30046677
  H     16.78342416      9.49606212     -9.76476831
  H     16.49411485      8.09176603    -11.43858108
  O     19.64977322      5.52257025    -16.43165969
  H     17.44950319     10.82048820    -10.08197968
  H     13.73004837      7.11643106    -16.43878863
  O     16.92369018      5.73943198    -15.92008312
  H     14.89093400      9.25605609    -12.78672830
  H     13.25676523      8.42216782    -15.72916394
  O     18.20624638      5.52129359    -11.80032097
  H     14.58111739      7.71211729    -12.81928076
  H     19.09428877      9.85774598    -12.66665626
  O     20.09239909     10.35287146    -16.60803812
  H     17.31912903     12.89592918    -12.88892558
  H     18.19334800      9.43289644    -11.49729784
  O     16.94510168      8.29444485    -14.90614361
  H     17.65241637     11.39042626    -12.76774476
  H     15.09085203     11.07160408    -10.08046534
  O     13.35142333     10.34336984    -15.51326910
  H     19.99286884      7.27601721    -13.91619837
  H     13.71495871     11.62077172     -9.66867116
  O     17.23184422      7.98688819    -10.81731150
  H     19.46368282      6.04283306    -13.14700999
  H     18.39397699      8.04956225    -18.15551885
  O     13.21663109      7.45992598    -15.69676402
  H     13.36760263      6.66334260    -14.18784294
  H     19.43634808      7.20814954    -17.37145651
  O     18.60759984     10.20556666    -11.90496199
  H     12.69620511      5.96992815    -12.97582886
  H     15.38808515     11.40032807    -13.25654153
  O     14.24144616     11.38942312    -10.42894870
  H     20.31211941      4.89084541    -16.69709634
  H     14.27747923     11.21109020    -12.19206769
  O     19.28193894      8.07103314    -17.76886259
  H     19.84667659      5.76650068    -15.50862069
  H     17.61277499     11.91895223    -15.11143469
  O     14.50548414     11.03058382    -13.11681391
  H     17.82634369      5.51939383    -16.18014887
  H     18.55962931     11.40858545    -16.23337323
  O     17.71180942     11.84114684    -16.06783872
  H     16.95522883      6.64772111    -15.57844966
  H     16.02206980      7.43430561    -18.49457416
  O     16.65808597      8.13623445    -18.66679805
  H     18.42043975      4.75165412    -11.27868538
  H     16.34933228      8.88354680    -18.13385252
          69
 Energy    -248.62095262455881     
  O     17.40390307      7.13353664    -13.56835014
  H     17.93824615      7.38494171    -14.33244929
  H     14.48167892      9.05360483    -16.01178855
  O     13.69875777      8.62056426    -11.77758613
  H     16.68125519      6.55139897    -13.84185776
  H     14.06805946     12.18508127    -14.04946738
  O     19.03797776      8.35979763    -15.46418626
  H     14.36461526      8.86330870    -12.43855406
  H     12.92681180     12.68973209    -14.95756451
  O     11.79848059      9.77165102    -13.49069972
  H     14.18437661      8.53908850    -10.94806266
  H     14.27691546      5.42009856     -9.35676108
  O     15.17972372      5.54058629    -14.00811401
  H     19.84863547      8.09360005    -15.89036677
  H     14.38804378      5.59319126     -7.82476721
  O     17.93741534      7.57285025    -10.90900716
  H     19.27601863      9.03677814    -14.80309605
  H     17.54639165      5.87239203    -10.28718805
  O     19.01313240     10.20844441    -10.86175341
  H     12.34495008      9.47057066    -12.75197541
  H     16.39828663      5.28060573     -9.45076335
  O     15.52502738      8.40930403     -9.68996025
  H     12.24846031     10.54301795    -13.85528088
  H     16.48465386      4.11237718    -11.39903139
  O     11.30126802      7.44489199    -14.79272090
  H     14.34746868      5.79155391    -13.58202400
  H     16.39292096      2.75554314    -12.13403715
  O     17.48197889     10.54710240    -16.55935037
  H     15.51067378      4.79545229    -13.48900327
  H     16.39702717      8.60900194    -13.45294234
  O     13.92396954      7.37412717    -15.91748251
  H     18.46079442      8.37935276    -10.84956763
  H     15.54496990      9.62193264    -14.27213041
  O     14.87780666      9.93660003    -15.94651559
  H     17.81223898      7.38273380    -11.85149606
  H     18.99219085     11.09801962    -13.91388522
  O     13.32457523     11.89652039    -14.60725851
  H     18.09594607     10.52904683    -10.90543452
  H     19.44286096     10.26775647    -12.69309543
  O     14.74194240      5.90701464     -8.65263145
  H     19.43981781     10.68451711    -10.15380380
  H     17.72186823     11.81608477    -15.40173022
  O     17.11539149      5.04033078    -10.04967644
  H     15.20405816      7.63901568     -9.20366267
  H     18.29735282     13.21092800    -15.06418704
  O     16.01745290      3.63156178    -12.10556890
  H     16.34315343      8.11912400    -10.11936998
  H     13.07328840      7.05010338    -12.32507119
  O     15.80947763      9.37148647    -13.37930238
  H     11.40446949      8.31627371    -14.36828522
  H     12.14006785      6.47118806    -13.41309832
  O     19.50531626     10.32248353    -13.65343843
  H     10.42137687      7.41603975    -15.15730809
  H     15.93783474     10.21418154    -10.44352372
  O     17.88234915     12.44511636    -14.67461731
  H     17.96897999      9.74416421    -16.34327640
  H     16.19369748     10.36166408    -11.95716575
  O     12.77341446      6.22174819    -12.73070202
  H     16.54185246     10.32227313    -16.48876810
  H     15.70377326     12.24033915    -12.28917925
  O     16.33935499     10.79645190    -11.09902886
  H     13.00623415      7.32435773    -15.62067464
  H     16.31365665     12.62342094    -13.64937680
  O     15.49826397     12.66192149    -13.13108032
  H     14.40115486      6.68138141    -15.44807672
  H     14.36638866      4.07207448    -11.17802072
  O     13.64783128      4.51660297    -10.71279928
  H     14.21606848     10.56508136    -15.63583409
  H     13.19139816      5.04236959    -11.38420406
          69
 Ord_Energy   -248.620468    
 O    1.43670154       9.68725395      -11.8606482    
 H    1.33965969       9.52193356      -10.9123354    
 H    2.37680769       9.85800457      -12.0022726    
 O    1.35001063       9.34540462      -9.08968449    
 H    2.28709459       9.10721779      -9.05682468    
 H    1.27235067       10.2116547      -8.66622925    
 O   -3.78265810       11.6760588      -12.0871849    
 H   -3.24979901       11.6067247      -12.8874102    
 H   -3.15404654       11.6267395      -11.3510113    
 O    3.89295578       12.6893673      -10.3748264    
 H    3.03558969       13.1347637      -10.3448000    
 H    4.09304953       12.4480143      -9.46209240    
 O   -5.08291864       10.3095131      -8.14615536    
 H   -4.97253180       9.97036362      -9.05149174    
 H   -5.85198355       9.87307358      -7.78705454    
 O    1.27377713       11.8797684      -7.92012262    
 H   0.509868622       12.0138121      -7.34729671    
 H    1.20952618       12.4993944      -8.66224289    
 O   -1.77185833       11.4582548      -10.1831331    
 H   -1.07394445       11.6572037      -10.8210154    
 H   -1.63985443       10.5584698      -9.86147785    
 O    4.02283669       11.6769838      -7.70321035    
 H    4.36543417       11.9821568      -6.86708832    
 H    3.05557561       11.7602644      -7.65689659    
 O   -5.06112099       13.1555262      -8.45909023    
 H   -5.14030457       12.2044258      -8.31489658    
 H   -5.38166332       13.3193731      -9.35770416    
 O    1.24044466       13.5920448      -10.1128025    
 H   0.853111386       13.1778631      -10.8963213    
 H   0.670916021       14.3349590      -9.86817741    
 O   -4.72451973       9.40842438      -10.6995287    
 H   -4.54436493       10.1493053      -11.2924166    
 H   -4.08305168       8.72702026      -10.9322653    
 O    4.09456348       9.19844532      -9.17119217    
 H    4.22951174       9.97801304      -8.61684418    
 H    4.24084187       9.49335957      -10.0785551    
 O   -1.07376111       12.2926168      -6.39980555    
 H   -1.57033467       12.7998905      -7.06564903    
 H   -1.17803085       12.7515459      -5.56991720    
 O   -2.56421804       7.60954762      -11.2514038    
 H   -2.58862782       6.66410971      -11.1263256    
 H   -2.10691237       7.98415804      -10.4765253    
 O    4.14416313       10.4027538      -11.8139200    
 H    4.87490749       10.4693213      -12.4224682    
 H    4.07203865       11.2649946      -11.3656569    
 O   0.106068127       12.0929489      -12.1469307    
 H   0.626458764       11.2758474      -12.1172829    
 H  -0.502885044       12.0134945      -12.8905296    
 O   -5.74259615       13.4188757      -11.1556797    
 H   -5.07625055       12.8473530      -11.5682211    
 H   -6.51236153       13.3704271      -11.7173214    
 O   -2.52073216       9.84645748      -6.99330664    
 H   -3.40657926       10.0840616      -7.29845238    
 H   -2.08697367       10.6578493      -6.70703077    
 O   -2.37978196       13.4933310      -8.45146561    
 H   -3.34648824       13.5003433      -8.39062023    
 H   -2.14724088       12.7887325      -9.07510185    
 O   -1.32579637       8.83562183      -9.19868374    
 H   -1.73343372       9.07922363      -8.35333061    
 H  -0.365144312       8.86882782      -9.09566021    
 O   -1.81890440       11.3375015      -14.0962982    
 H   -1.80866110       11.3678694      -15.0488720    
 H   -1.55014050       10.4354343      -13.8390408    
 O  -0.628038406       15.4458447      -9.32120323    
 H   -1.08426988       16.2323437      -9.60953045    
 H   -1.31442094       14.8439140      -8.99094772    
 O  -0.965771556       8.94320107      -13.1982737    
 H   -9.98391882E-02   9.03774261      -12.7806416    
 H   -1.52036822       8.44105053      -12.5887470    
          69
 Energy    -248.62036509180007     
  O     17.47918398      9.92164843    -11.08857671
  H     16.97446756      9.29845711    -10.53909782
  H     12.33923318      8.80920505     -8.41856898
  O     13.69130618      5.33620027     -8.47814510
  H     17.36750199     10.77334078    -10.65409272
  H     19.51376512      5.63028976    -13.16093526
  O     16.70414235     11.95791125     -9.23267160
  H     13.56975784      4.40252833     -8.32524659
  H     18.77881297      4.96296022    -11.98369294
  O     12.05096663      7.47445366     -9.43054138
  H     14.37851158      5.42000901     -9.15951065
  H     15.35983267      5.97419694    -11.32713334
  O     15.98965200      9.16437442    -13.30880934
  H     17.25117480     11.44649074     -8.60737010
  H     15.66028792      6.79590922    -10.05280892
  O     19.56215837      8.13142186    -10.99378927
  H     16.91046972     12.87678654     -9.08541308
  H     19.41419725      7.60095054    -14.10532720
  O     20.38640029      8.72317437     -8.43708825
  H     12.48994801      6.66903527     -9.13440534
  H     20.95831033      7.53263378    -14.18598908
  O     18.38338661      5.62687058    -10.25766006
  H     12.18353286      7.52483319    -10.38838992
  H     17.22057563      8.37080194    -14.49038499
  O     12.62585267      7.71127338    -12.12038421
  H     15.15858970      9.63539451    -13.17077598
  H     17.48706938      6.93100524    -14.98163651
  O     13.61285553     10.40153562    -12.42647485
  H     16.58064759      9.46691087    -12.60518324
  H     16.15372197      8.38921775     -8.57275499
  O     14.21946063     10.69456152     -9.75960982
  H     19.88261303      7.91077929    -11.87731069
  H     15.16325731      9.08103694     -9.57137453
  O     12.61541607      9.53068518     -7.82018723
  H     18.89560636      8.82640052    -11.09417687
  H     19.02457478      9.97792643     -7.87003340
  O     18.93800238      4.89025288    -12.93389869
  H     21.33588377      8.77603582     -8.35908287
  H     17.66123313      9.75730844     -7.19861331
  O     15.59138128      5.88853178    -10.39288343
  H     20.19365825      8.51200695     -9.36570313
  H     13.62682563      8.13371545     -6.85786223
  O     20.21992449      7.38622994    -13.60108999
  H     17.41680283      5.65479114    -10.29824384
  H     13.97498507      6.65187841     -7.10233788
  O     17.88478008      7.80782477    -14.90876826
  H     18.71214068      6.50546106    -10.49379582
  H     15.39667768      7.41773768    -13.11339782
  O     15.86200375      8.42102141     -9.49531032
  H     12.86341596      8.62820377    -12.30040723
  H     15.55200723      5.96655924    -13.63124792
  O     18.21760246     10.43590023     -7.60977102
  H     13.33825818      7.17852622    -12.49521354
  H     19.38281868      7.20591820     -7.72746195
  O     14.14277285      7.39656926     -6.51122233
  H     13.79731255     10.54665928    -11.48305143
  H     18.63294826      6.03402130     -8.38020699
  O     15.04157831      6.52138772    -13.02897171
  H     13.06327660     11.12621372    -12.71453892
  H     15.86150123      7.89537239     -6.57989937
  O     18.72679794      6.52008233     -7.55176465
  H     13.67029078     10.45294373     -9.00034370
  H     17.34802088      7.53445494     -6.98281287
  O     16.70910026      8.25547349     -6.87560700
  H     14.98834229     11.19957311     -9.46298544
  H     17.58174367      4.96337594    -14.03064064
  O     16.85518687      5.14151808    -14.65490730
  H     11.83873002      9.80144651     -7.33771790
  H     16.81460071      4.39936132    -15.25154368
          69
 Energy    -248.62014023842679     
  O     21.81292116     12.49472744    -17.24955741
  H     21.83194434     13.42415005    -16.95630268
  H     18.32925137     18.00477802    -15.67380373
  O     15.79830575     15.91577206    -14.71140988
  H     22.70411044     12.26540940    -17.49862027
  H     16.04305434     11.09595906    -13.78635498
  O     21.16453717     15.97872039    -13.80177147
  H     15.46432142     16.45848295    -15.43363910
  H     15.75744932     10.35638885    -15.09689268
  O     18.18848278     10.74845862    -17.36371271
  H     16.59558184     15.48795444    -15.06099797
  H     18.16833658     13.61818900    -12.54340305
  O     17.05546662     10.86325812    -12.16559181
  H     21.80500635     16.28807185    -13.16535052
  H     16.60198709     13.64005062    -12.35512976
  O     16.71483520      8.86648058    -15.85635025
  H     20.47673149     16.66116839    -13.85765352
  H     19.24946468     10.00721496    -14.41773848
  O     21.72313735     15.06233857    -16.46603590
  H     18.80523752     10.98998958    -16.65576515
  H     18.20597873      9.85293808    -13.28839029
  O     19.46712813     16.01601084    -17.72454958
  H     17.67319358     10.00476016    -17.02983058
  H     15.82779175     14.15670156    -17.99348438
  O     15.06235718     13.64990506    -13.25281233
  H     16.61242300     10.50733759    -11.39850219
  H     16.64195407     14.90659098    -19.06342170
  O     19.48511353     13.68911949    -13.80107091
  H     17.26193763     11.78800759    -11.95565674
  H     18.46651724     17.36842734    -13.29418060
  O     19.57725947     12.48882235    -19.05145520
  H     17.41652678      8.94207395    -15.18296120
  H     19.13514904     18.74591705    -13.51261437
  O     18.11140329     18.09335039    -16.60871683
  H     16.50177819      7.94076636    -15.93325260
  H     15.54249614     16.46899207    -17.64198024
  O     15.55302367     11.16838454    -14.61623440
  H     20.99695462     15.46018777    -16.96974457
  H     14.71088717     17.76978507    -17.55290044
  O     17.45396805     13.57931885    -11.88966557
  H     21.63149180     15.38889552    -15.56493999
  H     16.63697056     16.34798221    -13.12441208
  O     18.63324713      9.38069290    -14.01437896
  H     19.08978387     15.71236152    -18.55810965
  H     17.38915184     15.58469587    -12.01704988
  O     15.86391718     14.98017374    -18.49704169
  H     19.02966190     16.83989735    -17.46049681
  H     20.72748773     11.70858986    -15.96254803
  O     19.10305017     17.85362572    -13.85009889
  H     14.97432090     12.87125430    -13.81289204
  H     19.87257546     12.17381159    -14.75790976
  O     15.39983661     17.27684256    -17.11600071
  H     15.12175244     14.41808568    -13.83730492
  H     18.47224129     15.05984265    -16.50445681
  O     17.29952181     16.45188737    -12.42539650
  H     18.92122359     14.00776393    -14.52628189
  H     17.41069504     13.93432342    -16.25057285
  O     20.03019148     11.42969999    -15.35523446
  H     20.15320769     14.37146506    -13.67252308
  H     18.45124675     14.79822491    -20.87110321
  O     17.96432873     14.60199088    -15.82341443
  H     20.39067604     12.53592279    -18.53514637
  H     18.76300963     13.89192330    -19.65701573
  O     18.31578636     14.71338926    -19.93116365
  H     19.05495260     11.78756462    -18.64054517
  H     15.89882035     12.28179210    -16.08680709
  O     16.27131580     12.69025252    -16.87847629
  H     17.17002271     17.90196282    -16.70659771
  H     16.91781287     12.05165865    -17.21013273
          69
 Energy    -248.62011785258989     
  O     12.75366848     11.75366436    -15.08402128
  H     13.64981398     12.05605715    -15.26738859
  H     12.07274386      6.15263191    -15.09127088
  O     14.35261805      6.45149410    -12.88805763
  H     12.68118740     10.88636791    -15.50770306
  H     15.91879848     10.87460708    -16.75646135
  O     17.66096585      9.85604142    -11.50641675
  H     15.17792863      5.96027356    -12.81482355
  H     16.73433317      9.56349357    -16.79309480
  O     17.46783222      8.39019032    -15.57834168
  H     14.55065800      7.23326883    -13.43012244
  H     15.76014555      8.52388252    -14.91415162
  O     10.80229798      7.56393066    -14.95329183
  H     17.30056777     10.06984080    -10.63416462
  H     14.21592290      8.80851988    -15.04074168
  O     16.07794829     10.33611636     -9.28403114
  H     17.03499391     10.24604767    -12.13328398
  H     12.05353259     11.69369305    -13.49865706
  O     13.34631668      8.03502769    -10.85381562
  H     17.53091495      7.43362261    -15.68072144
  H     10.99445334     12.27062771    -12.53018613
  O     15.62402686     10.88616773    -13.08236847
  H     18.12949951      8.65726377    -14.92358192
  H     17.38571215      8.02596534    -11.13778456
  O     14.93037482      5.98761103    -16.87713187
  H      9.86558996      7.43549543    -15.07390255
  H     17.19640715      6.55082653    -11.57141580
  O     15.30871478      7.58303876     -8.88709607
  H     10.91929217      7.96234318    -14.07135250
  H     11.82214473      8.45499969    -11.89765828
  O     17.29724344      5.57209154    -15.73063289
  H     15.29792482     10.67802836     -9.74032493
  H     11.28442817      9.73214761    -12.57681972
  O     12.85239804      5.58584523    -15.10592073
  H     15.82499673      9.45678275     -8.97708753
  H     20.18559582      9.29887784    -13.47852612
  O     16.12654297     10.11218739    -17.30902267
  H     13.68143788      7.43575826    -11.53727989
  H     18.80620648      9.39721867    -12.81045009
  O     14.93463505      8.62617512    -14.42152674
  H     13.87697189      7.85599980    -10.06781653
  H     17.09379189      5.37147960    -13.92849049
  O     11.66389316     11.59667960    -12.61120711
  H     15.02006651     10.99195467    -12.33523273
  H     17.11600346      4.34235364    -12.78185224
  O     17.16629509      7.14278996    -10.81301550
  H     15.35296275     10.06911372    -13.53010777
  H     14.96347668      9.03983206    -18.02223899
  O     11.20459817      8.77064966    -12.56903631
  H     14.71034489      6.75200680    -17.41952829
  H     14.21328004      8.49005112    -19.26012474
  O     19.26062380      9.11395981    -13.61977289
  H     14.16072724      5.80521961    -16.31682394
  H     13.05247654     11.18587153    -11.43193820
  O     16.92914853      5.25779524    -12.97985909
  H     15.98363191      7.34998192     -9.55101857
  H     13.66099743      9.84635331    -10.95168430
  O     14.29262484      8.39567493    -18.31492996
  H     15.46532758      7.02862555     -8.12782621
  H     15.66007006     11.84100008    -14.57404810
  O     13.81980123     10.80152878    -10.98986915
  H     16.42524344      5.67880682    -16.15753388
  H     16.04333702     13.07118043    -15.42643900
  O     15.56018546     12.24882131    -15.45161402
  H     17.83064985      5.04834145    -16.32223738
  H     12.05651116      8.58367189    -15.83361751
  O     12.76882300      9.17378564    -16.11197780
  H     13.30264163      5.75222490    -14.26668843
  H     13.12666522      8.86155341    -16.95233292
          69
 Energy    -248.61962631483527     
  O     14.34580789      9.57144292    -15.24018953
  H     14.34437326     10.15910459    -16.00526239
  H     15.13981202     12.66017328    -15.84807747
  O     10.60526811      8.29845936    -10.72610979
  H     15.06251159      9.87862452    -14.66773912
  H     17.33358848      9.74422488    -10.37990673
  O     13.75709826      7.19310859    -13.76355060
  H     10.28435346      9.16226271    -10.46003367
  H     16.22511670      8.66766287    -10.40827037
  O     14.10389039     11.98422606     -8.95427946
  H     11.37906128      8.14314752    -10.16464241
  H     14.57571365      9.16037419    -11.54500688
  O     14.18311337     11.69594844    -17.14962984
  H     12.79737385      7.21597674    -13.66494774
  H     14.46020453      7.75762140    -12.21469573
  O     10.91711711      7.53543678    -13.33621330
  H     13.98180813      7.86704844    -14.41756211
  H     14.54969899     15.10231101    -11.15864656
  O     12.98656571      8.48714135     -9.30033326
  H     14.47941520     11.25870647     -8.43853240
  H     15.12233124     15.45897242    -12.53729293
  O     14.34898962     10.97782807    -11.60292582
  H     13.16176609     11.79617651     -9.07652511
  H     17.96760218     11.82667527    -11.45050483
  O     11.59929428     11.01565009     -9.63326475
  H     13.30293557     11.96823514    -16.83118751
  H     19.20353631     10.90901108    -11.60509061
  O     17.38847108     13.45818503    -11.30329578
  H     14.15770449     11.73388202    -18.10159816
  H     13.81752043     13.44539535    -14.18555878
  O     11.79698631     11.70070338    -12.34528248
  H     10.26308876      6.87075748    -13.53719112
  H     13.28664575     14.42157146    -13.12600411
  O     15.47992004     13.01187270    -15.01705054
  H     10.78898367      7.77795442    -12.40321996
  H     14.85306552     13.53026480     -9.30181761
  O     16.81116657      9.16184087     -9.81706270
  H     13.58032452      8.78577922     -8.60378495
  H     15.37888813     14.88820618     -8.78722298
  O     14.72768768      8.21410475    -11.40581818
  H     13.56424261      8.25519980    -10.04385194
  H     17.04303830     10.71804050    -13.06527370
  O     14.30217726     15.43829569    -12.02836878
  H     13.46034471     11.20580997    -11.90651083
  H     15.54089494     10.94727476    -12.85795684
  O     18.24989786     10.90549204    -11.59758625
  H     14.42685792     11.31842954    -10.70507266
  H     12.04976654     13.00057537    -15.26661085
  O     13.00457528     13.74669951    -13.76036626
  H     12.04145738     10.15542099     -9.60600103
  H     11.56715731     11.56067104    -15.53799881
  O     15.30980890     14.34537771     -9.56893923
  H     11.55492984     11.28339661    -10.56321901
  H     15.50705422      9.41700684     -6.92951311
  O     16.21373837     10.81114031    -13.54572722
  H     17.24317053     14.00320048    -12.08601156
  H     15.79801710      9.48511864     -8.44885633
  O     11.84194497     12.37799353    -15.97548320
  H     16.73736967     13.75190751    -10.65472301
  H     17.16095731     15.64026416    -14.14382828
  O     15.12920642      9.67590129     -7.76534143
  H     11.63039573     11.06517866    -13.05502325
  H     16.28707642     14.36642044    -14.18514945
  O     16.68677692     15.02388149    -13.59142101
  H     12.12177291     12.50797244    -12.76984186
  H     12.58421543      9.81240619    -14.71543439
  O     11.65484596      9.97258393    -14.49716070
  H     15.81990504     12.25596219    -14.51425326
  H     11.29342399      9.13373859    -14.18572673
          69
 Energy    -248.61954042189751     
  O     15.63289684     11.93090705    -13.54754880
  H     16.47343815     11.60311158    -13.21053696
  H     13.61647217      7.69443961    -16.90550355
  O     13.66466943      6.22691025    -14.12215597
  H     15.55298664     11.55789644    -14.43889758
  H     18.25550405      9.81450904    -13.17020300
  O     17.06302553      6.42596414    -10.71006082
  H     14.17585638      7.05461294    -14.14601377
  H     18.77262768     10.96128282    -12.27912229
  O     18.83462280      8.29803486    -13.97601021
  H     14.23188370      5.60847977    -13.64663417
  H     15.61548000      8.55418338    -13.14315480
  O     12.97731525      9.45936886    -16.76795376
  H     16.72225927      7.30583348    -10.93925215
  H     15.38724604      9.11237468    -14.59227579
  O     13.33022790      7.54374414     -8.89127357
  H     16.60483043      6.16042554     -9.90358980
  H     14.05511935     11.88422634    -12.86146960
  O     11.98142858      7.64946233    -12.46173460
  H     19.26286945      7.94562959    -13.18150511
  H     12.81687591     12.66539379    -12.35913844
  O     16.10797223      8.87424656    -11.41087831
  H     18.29853224      7.56092553    -14.29981305
  H     14.43662809      4.71506644     -9.92281032
  O     16.63803985      6.64829469    -17.55226418
  H     12.35403385      9.81619306    -17.39540779
  H     14.50099128      4.41282212    -11.43144670
  O     11.60142235      5.81008581    -10.37488226
  H     12.58594471      9.58472372    -15.88431059
  H     11.82336093      9.09013875    -13.68025475
  O     17.08621092      6.28305717    -14.81894537
  H     13.39736505      8.32953598     -9.44791027
  H     12.33312037     10.54515476    -13.72469475
  O     14.01309502      6.81416929    -16.88754190
  H     12.63102110      7.00491133     -9.28346546
  H     20.27454604      6.44836064    -11.34342428
  O     17.97489365     10.57167939    -12.62945438
  H     12.49404132      7.09349146    -13.06709433
  H     18.78065110      6.79047429    -11.24554242
  O     15.37190299      8.31858665    -14.04619412
  H     11.68053219      7.06109653    -11.75880205
  H     16.24065734      5.39668860    -12.01629738
  O     13.15196372     11.78564384    -12.50904308
  H     15.23250390      9.21052861    -11.17342607
  H     16.29971859      5.15206231    -13.52322468
  O     13.90970808      4.40115698    -10.66868941
  H     16.69502285      9.60215269    -11.64808923
  H     14.67359043      6.45236355     -8.64019687
  O     11.98445903      9.83369630    -14.27474111
  H     16.74116954      6.17726131    -18.37430633
  H     15.45430780      5.53805632     -7.66683348
  O     19.62585508      7.09459108    -11.61219110
  H     15.68114291      6.69904697    -17.37489352
  H     18.26303070      8.94290061    -15.85557218
  O     15.79384489      4.92274411    -12.73255690
  H     10.89101476      5.22624284    -10.12345870
  H     17.44456462      8.30139697    -17.00124822
  O     15.35518722      5.75801625     -8.58907737
  H     12.38191065      5.24967667    -10.53737238
  H     12.98285794      8.84464115    -11.48694786
  O     17.72055195      9.14737626    -16.62455118
  H     16.46842745      6.99036342    -14.57023189
  H     13.31338804     10.35143286    -11.35760029
  O     13.46945954      9.48944602    -10.95203820
  H     17.03165506      6.21621988    -15.77979694
  H     16.24002520     10.08345774    -16.25245656
  O     15.44711210     10.47468269    -15.85493185
  H     13.78329855      6.43725586    -16.02902050
  H     14.66653185     10.17476339    -16.33522409
          69
 Energy    -248.61948040168295     
  O     11.11853944      8.61148459     -8.29113929
  H     10.93386635      9.33691381     -8.91213322
  H     10.56436383     10.66947391    -11.00775238
  O     12.98232531      9.48169335    -16.73290375
  H     10.30188614      8.42687773     -7.83346906
  H     12.57538570     13.32873798    -12.63011277
  O     12.12936334      7.12433518    -10.56153358
  H     13.26540194      9.56533502    -17.63944743
  H     13.24429256     12.18224793    -13.40478008
  O     14.10641849      8.56657382    -14.34831088
  H     12.59064836     10.33753717    -16.48206839
  H     17.18745944     10.80773711    -11.36035581
  O     13.16034578     12.63311042     -7.09052448
  H     13.08846107      7.21328863    -10.47317060
  H     17.00517368      9.66871696    -12.40137752
  O     11.71775402     11.76379656    -15.94846326
  H     11.75984743      7.49379984     -9.75204920
  H     16.80914861      7.15662096    -13.23332876
  O     11.72105622      8.26293910    -13.02832508
  H     13.83314070      8.80860975    -15.24218313
  H     15.57712932      8.06121773    -13.45968280
  O     15.94043419      9.30285488     -8.30082380
  H     13.29692796      8.38613608    -13.84488718
  H     13.05892141     15.19004933    -11.03627208
  O     13.66854580     10.47931189    -10.67716413
  H     13.51827676     13.12925510     -6.35830595
  H     12.42619996     13.93259922    -10.39472211
  O     13.48359163      9.77710667     -7.11107342
  H     13.81567482     12.68070058     -7.80875825
  H     15.36750860      7.83375130    -11.24756861
  O     14.79038956     12.69789206     -9.29265259
  H     10.80199225     11.48878778    -15.81321662
  H     14.40108207      8.80594057    -10.51503818
  O     10.97189467     10.61982639    -10.13317570
  H     11.96944441     12.25160295    -15.15441825
  H      9.88921677     10.75478685    -13.58919867
  O     12.43292224     12.71354750    -13.35761397
  H     11.30912721      9.12312262    -12.87846777
  H     11.11408314     11.49111924    -12.98234873
  O     17.09233887     10.62513467    -12.30329730
  H     11.78809292      7.81163580    -12.17429972
  H     15.52023606     11.06972754    -12.98117588
  O     16.32458099      7.88989257    -12.86206918
  H     15.13677655      9.46471124     -7.78511145
  H     14.41713489     10.24738105    -13.70679162
  O     13.09921664     14.23669116    -11.03105983
  H     15.68679349      8.64934525     -8.96508551
  H      9.60961717      9.66846021    -15.47113784
  O     14.81368588      7.92899669    -10.46415845
  H     13.94916986     10.70926135    -11.57300948
  H      8.32208148     10.50474644    -15.67723127
  O     10.45719796     10.80060957    -12.81133292
  H     14.05806608     11.13016278    -10.08142715
  H     16.78896411     10.58264742     -9.05108784
  O     14.58883886     11.07915893    -13.24699423
  H     13.24713590     10.70635480     -7.01281940
  H     18.05156967     11.47731540     -9.12609105
  O      9.20209317     10.53947959    -15.31347112
  H     12.69997094      9.32861504     -7.44985676
  H     11.07965737     12.35839051     -9.49403774
  O     17.20343267     11.32335983     -9.53342164
  H     14.47072498     13.26066102    -10.00840124
  H     11.82031215     13.09642413     -8.36512155
  O     11.35683571     13.23690080     -9.20022408
  H     15.69206756     12.40032526     -9.47144608
  H     11.40125730      8.51155003    -16.11681293
  O     10.61913833      8.24302127    -15.61978578
  H     11.92437131     10.52388096    -10.29616790
  H     10.93252012      8.04836544    -14.72510513
          69
 Energy    -248.61935955183009     
  O     -2.10193792      4.74363375      4.32150002
  H     -1.68573768      4.43623327      3.50568364
  H     -3.83448749      4.64821792      4.49702538
  O     -1.38061976     -0.77730436      3.65054148
  H     -1.71690234      4.21074878      5.02892358
  H     -1.68849535      3.45619701      0.34016705
  O     -4.20564060      0.83915194      0.80293736
  H     -2.16812629     -1.33835631      3.63802337
  H     -3.03646834      3.48177275     -0.39453318
  O     -2.53108362     -1.98472877     -1.56073552
  H     -0.96581169     -0.81704353      2.77802510
  H     -5.65931196      3.59470830      3.27423761
  O     -0.14502466     -0.51372897      1.14021663
  H     -3.80083002      1.07803048      1.65203436
  H     -6.39051976      2.29307044      2.84066829
  O     -5.23900530     -0.37019733      5.24947354
  H     -4.54726200      1.65753957      0.42108502
  H     -1.73230445      2.69085685      2.44672289
  O     -7.04749736      0.58812199      3.47461398
  H     -2.29700383     -1.06168216     -1.37104770
  H     -0.22688707      2.86670417      2.14459998
  O     -1.23339130      2.88165914      6.32085622
  H     -2.45326223     -2.09513290     -2.50557765
  H     -5.38207586      3.38961731      0.93782567
  O     -1.95265159      0.57148518     -0.69355007
  H     -0.71791721     -0.06664426      0.50178325
  H     -5.63005675      3.78603150     -0.53458526
  O     -5.69830342     -1.21701975      1.70640341
  H     -0.21181651     -1.46054959      0.94531423
  H     -3.46804109     -3.02430562      3.17271591
  O     -2.93584076     -4.39302056      1.99927801
  H     -4.69650244      0.37906288      5.53156220
  H     -4.42941361     -1.84598441      2.91938976
  O     -4.77330878      4.47001135      4.68865294
  H     -4.64763373     -1.03176245      4.87256282
  H      2.08768096      1.69981549      1.89856646
  O     -2.09485200      3.32318303     -0.52745992
  H     -7.92643923      0.52105405      3.83958194
  H      0.81784031      0.82296419      1.84171061
  O     -6.05615223      3.13984243      2.52161868
  H     -6.43843974      0.25293114      4.15718975
  H     -0.29734170      0.34273215      4.64975796
  O     -1.07618598      3.32239242      2.11325383
  H     -0.79985443      3.04011535      7.15502053
  H      0.70122653      1.36598406      4.10094145
  O     -4.98269046      3.39831600      0.04857776
  H     -0.67275691      2.25433434      5.82988113
  H     -4.29132704      2.85359900      5.49724151
  O     -3.76049404     -2.17815191      3.53468505
  H     -1.82448387      1.51896922     -0.83637413
  H     -2.96336536      2.25946492      6.03346841
  O      1.20645075      1.61324551      2.25361129
  H     -2.76529003      0.52769395     -0.16547175
  H     -5.06105470     -2.57865967      0.57431980
  O      0.23030819      1.11308822      4.90328493
  H     -6.33793286     -0.74644926      2.25155003
  H     -3.95649413     -2.75967847     -0.50352534
  O     -3.84010188      2.02374239      5.70145037
  H     -5.17581211     -0.51688920      1.28239257
  H     -1.37791994     -2.83514116     -0.25842371
  O     -4.51406113     -3.23608179      0.12352332
  H     -3.06873744     -5.33484653      2.06582355
  H     -1.43008050     -3.57425507      1.08936347
  O     -0.84430570     -3.07170970      0.51103962
  H     -3.53853721     -4.07094817      1.30358248
  H     -3.30162746      1.71495152      3.94502582
  O     -2.89022075      1.46210769      3.11115848
  H     -5.12972531      5.26522814      5.07580589
  H     -2.33376728      0.69483988      3.30476150
          69
 Energy    -248.61914780526902     
  O     17.15138367     15.51714510    -15.39116325
  H     17.69200578     15.17404363    -16.11245309
  H     18.04570022     11.11087460     -9.61170869
  O     20.09889189      9.97108497    -15.74348975
  H     17.77678944     15.84266119    -14.73142117
  H     21.39837308     16.76893356    -11.33254627
  O     20.17535823     13.36244540    -10.08172769
  H     19.81341238      9.38988180    -15.02765992
  H     21.26823777     18.26883200    -11.68981961
  O     15.66356879     13.33260581    -12.35869131
  H     20.71143631     10.59599036    -15.33141316
  H     21.49887340     12.55130510    -11.08789046
  O     20.46297060      9.83606614    -11.37744936
  H     19.80017574     12.58620973     -9.64905266
  H     22.94287826     12.72653497    -11.60116611
  O     16.52434023     11.28234811    -10.44431111
  H     19.44983030     13.77145125    -10.57656704
  H     16.40898195     10.33593822    -13.62436594
  O     18.18050639     11.90612692    -16.03335455
  H     15.89773993     12.58658826    -12.92467831
  H     17.58526276      9.39278184    -13.16037370
  O     20.93008558     14.56515861    -15.24014430
  H     15.18198268     13.91167771    -12.96228592
  H     18.96284016     14.17043217    -18.18386346
  O     21.94404186     15.54038667    -10.22103597
  H     19.94330717     10.13912833    -10.62301293
  H     18.64010984     13.36142741    -16.90375611
  O     21.26506849     12.03171213    -14.18214377
  H     21.18183630     10.47254971    -11.47343970
  H     22.39845968     16.47549688    -13.22310384
  O     15.68662748     11.62767375    -14.80346637
  H     16.58071624     10.68384694    -11.20477416
  H     22.33892373     15.42678426    -14.34993855
  O     18.93349744     10.98288282     -9.23328325
  H     16.08719218     12.07032727    -10.78032393
  H     19.81288511     16.62214354    -13.04940150
  O     21.16102491     17.39051735    -12.04439270
  H     18.27496600     12.17514532    -15.10602804
  H     19.82861282     15.50443694    -14.12001692
  O     22.20788619     12.10153774    -11.57076614
  H     18.78381526     11.15533212    -16.13571964
  H     23.68320371     14.78094863    -12.50049538
  O     16.91336563     10.01968530    -12.86249389
  H     21.11081275     13.66328242    -14.93580272
  H     24.95921220     14.35477725    -11.73741316
  O     18.92660439     14.23152423    -17.23291784
  H     20.37046429     14.49736207    -16.02201434
  H     19.70930975      8.97260763    -12.69070820
  O     22.92827636     15.82018620    -13.69323566
  H     22.72697203     15.11733282    -10.59421932
  H     19.39033777      7.59510539    -13.31671437
  O     19.24189688     16.03587202    -13.56202508
  H     21.32740927     14.82414512    -10.01829894
  H     18.16563358     11.44401307    -13.01291879
  O     24.01171113     14.25060189    -11.75241264
  H     20.34034068     12.02798589    -13.88653557
  H     18.52253707     12.93427444    -12.72120599
  O     19.22325903      8.52962356    -13.41025365
  H     21.77716239     12.02604556    -13.36427068
  H     14.06514626     14.88534848    -15.20448286
  O     18.66417374     12.20422111    -13.33439676
  H     16.44255639     11.66963475    -15.40605646
  H     15.59996568     14.81113052    -15.03349722
  O     14.76096690     14.37263244    -14.80316492
  H     15.22517032     12.46884635    -14.90696515
  H     17.23112171     14.17112835    -11.82940641
  O     18.16025373     14.37034729    -11.65580787
  H     18.81002934     10.60724883     -8.36542350
  H     18.46390058     15.02289690    -12.30366941
          69
 Ord_Energy   -248.618820    
 O   -1.26919615      -1.80816579       6.04551744    
 H   -1.93405437      -1.14694905       6.31105709    
 H  -0.641467810      -1.86954927       6.76085949    
 O   -7.02945280      0.913227737       3.82558846    
 H   -6.80443239      0.487114489       4.66188431    
 H   -6.19178772       1.27665293       3.51027536    
 O   -5.88123417      -2.85032988       2.17671084    
 H   -6.06834030      -3.71716571       2.55578661    
 H   -5.65222263      -3.00014710       1.25096762    
 O   -5.69234228      -4.57058668       5.29722118    
 H   -5.87918663      -5.08192492       4.49939108    
 H   -4.75879097      -4.32378817       5.26322412    
 O   -2.15575910       1.89939678       4.51004839    
 H   -1.61989939       1.16638875       4.15641356    
 H   -1.56379628       2.63495970       4.64189529    
 O   -4.19383383      -1.47277117       3.68537235    
 H   -4.84720325      -1.93197298       3.13325834    
 H   -3.75139809      -2.15722966       4.20642138    
 O   -3.06145692      -3.64966083       4.94258547    
 H   -2.34001470      -3.18178654       5.38029003    
 H   -2.72996211      -4.03134298       4.11381245    
 O   -8.82841587      -4.83133888       1.67556190    
 H   -8.96924400      -4.15604353       2.36461687    
 H   -9.64912128      -5.30987549       1.58970964    
 O   -5.80590773     -0.642071426       5.87156057    
 H   -6.44883013      -1.34511387       6.02915573    
 H   -5.27430391     -0.939376414       5.11995411    
 O   -6.32412243      -5.55833673       2.75143981    
 H   -5.67943001      -5.76726151       2.06280351    
 H   -7.19239140      -5.47782373       2.33380771    
 O   -4.36239433       1.22051811       2.93803072    
 H   -3.64540648       1.66815603       3.40131426    
 H   -4.29792070      0.294407159       3.21505737    
 O   -3.12761712      0.110549048       6.57077837    
 H   -2.92012477      0.821827054       5.95208263    
 H   -4.07870531      -4.25832383E-02   6.51516628    
 O   -5.31639242      -3.44988918     -0.505690873    
 H   -4.77386284      -2.68480849     -0.735963762    
 H   -6.25244856      -3.22238398     -0.619247019    
 O  -0.806735933     -0.300157726       3.63422084    
 H   -1.11059773     -0.784360826       2.85716462    
 H  -0.851264477     -0.912400663       4.37955809    
 O   -2.24738264      -1.73289979       1.61082327    
 H   -2.64737701      -1.52032292      0.759467900    
 H   -2.93067169      -1.58396363       2.27868462    
 O   -7.61048460      -2.81923056       5.96981859    
 H   -6.92212105      -3.48031306       5.76832151    
 H   -8.05144691      -3.11486959       6.76255512    
 O   -7.77330160     -0.840843379       1.85630214    
 H   -7.14078856      -1.55772972       2.02466750    
 H   -7.62938213     -0.170059934       2.54331183    
 O   -3.72470713      -1.16298950     -0.778880715    
 H   -3.38747931     -0.719211042      -1.55259895    
 H   -4.36422825     -0.556569159     -0.360860378    
 O   -7.98839903      -2.84199476     -0.266757220    
 H   -8.11954117      -2.03983116      0.251933515    
 H   -8.31448650      -3.56180072      0.289206445    
 O   -9.05558681      -2.83784890       3.49752951    
 H   -8.60556126      -2.79313064       4.35032701    
 H   -8.83316708      -2.02683091       3.02610302    
 O   -4.36765194      -5.71508360      0.707778573    
 H   -4.10622168      -6.39720058       9.38401967E-02
 H   -4.67741203      -4.96203804      0.176407248    
 O   -2.36629438      -4.45408630       2.42055416    
 H   -2.99202299      -4.91647196       1.85289061    
 H   -2.20448399      -3.59525013       2.00788212    
 O   -5.47518730      0.390374243      0.526368558    
 H   -5.05759811      0.824970484       1.28372920    
 H   -6.33708382       8.91184881E-02  0.831231058    
          69
 Energy    -248.61872494854376     
  O     11.60300238      7.14571187    -11.15095998
  H     10.70951648      6.87360368    -10.96397732
  H     18.50949829      8.72776347    -14.67282391
  O     16.53236580      4.98303996    -13.67659159
  H     12.13497760      6.33272792    -11.24607829
  H     14.78853565      7.66535147    -12.95841928
  O     16.36835765     11.01614017    -12.52937361
  H     17.09129559      4.82298180    -12.90624054
  H     15.98333968      6.67909643    -13.15772008
  O     12.57539639      9.13428849    -16.86978848
  H     17.09504565      5.25896191    -14.41673967
  H     13.41454968      4.74800707    -12.47931790
  O     15.50027891      5.48426124    -10.15459688
  H     16.71200460     10.40812479    -11.85861410
  H     14.01862544      5.13349475    -11.09455008
  O     13.54024836      6.74895066    -15.63588524
  H     16.68753719     10.67518911    -13.37006458
  H     18.54788844      5.74115357    -11.51231388
  O     13.61982611     10.70111225    -12.57753849
  H     12.74157511      8.24400335    -16.53609874
  H     18.69674496      4.30159509    -10.96432691
  O     15.39881568     11.26606878    -16.38576306
  H     13.23337599      9.27871758    -17.56106967
  H     14.92161794      4.45716581    -14.08279703
  O     17.96423549      6.02427721    -15.74993843
  H     16.39687327      5.31314496    -10.46295484
  H     13.92453309      3.37346887    -14.55467663
  O     16.76880471      9.26607483    -14.85525778
  H     15.52077265      6.32687074     -9.68560303
  H     16.62357934      8.36171011    -11.59541512
  O     15.89052445      7.59839083    -16.88186837
  H     13.33212155      7.27451825    -14.84662956
  H     16.67002928      8.67261423    -10.08817656
  O     19.35520495      8.26403099    -14.56885929
  H     13.59914150      5.83839640    -15.32485868
  H     18.63429607      7.92600648    -11.44511876
  O     15.75060696      7.58991854    -12.94179639
  H     14.56843119     10.89436223    -12.53036023
  H     19.37046723      7.59991114    -12.76502626
  O     13.19121804      5.05060827    -11.59395613
  H     13.30049303     11.05061236    -13.41884598
  H     15.31806660      8.20984696     -7.92714487
  O     18.07044997      4.90783452    -11.35037771
  H     14.55654343     11.42080331    -15.93884612
  H     14.64129092      8.49960170     -9.28677158
  O     13.98478783      4.28714958    -14.28660814
  H     15.91746132     10.71592752    -15.78674905
  H     15.09697806     10.31605431    -17.83863965
  O     17.12586776      8.84710537    -10.92025889
  H     18.57733848      6.69141117    -15.41982211
  H     15.01976780     10.06582028    -19.36552657
  O     19.23550279      7.29189781    -11.86190546
  H     17.31218422      6.49673216    -16.28538032
  H     13.34767893      9.82551287    -10.86052792
  O     15.40998207      8.07344732     -8.86612799
  H     16.52153322      8.75505358    -15.64036001
  H     12.64828548      8.52898877    -10.39193842
  O     14.87112332      9.65544245    -18.51827455
  H     16.39759411      8.76329562    -14.11314785
  H     12.64041106     10.50930774    -15.74796974
  O     13.29054254      9.20056926    -10.12803690
  H     15.08669505      7.25663204    -16.46170199
  H     12.10197075     11.92565892    -15.44826004
  O     12.79304704     11.31004115    -15.21575731
  H     15.60583865      8.18704720    -17.59120094
  H     13.21613727      9.03820845    -13.10321592
  O     13.04460518      8.11413968    -13.33197083
  H     20.02930754      8.84148184    -14.92033568
  H     12.45389193      7.75911777    -12.65636434
          69
 Energy    -248.61870965003101     
  O     15.62606778     11.32862042    -11.34115647
  H     16.03092649     11.27041351    -12.21544045
  H     18.26465241      3.16518294    -12.75069926
  O     15.56506409      7.08541324    -15.47955268
  H     16.22495205     10.86187303    -10.74872695
  H     18.26836116     10.53569302     -9.32324877
  O     14.11310803      5.05108319    -11.51026033
  H     14.70573049      7.52832405    -15.41799738
  H     18.28659866     10.06395467    -10.79221342
  O     17.26625007      7.20715317     -9.78237702
  H     15.46522781      6.20324558    -15.09486569
  H     15.97298946      7.73884003    -13.85546668
  O     10.56303427      6.84698635    -12.89174216
  H     14.17476285      5.97995284    -11.24742596
  H     17.01226075      7.64256573    -12.70848067
  O     13.17706783      8.40102233    -14.94719343
  H     13.18058143      4.81974882    -11.59723949
  H     13.92572952     11.45322225    -11.72695282
  O     14.66357434      7.68085261    -10.82759451
  H     17.43947621      8.15027200     -9.66555532
  H     12.60735713     12.26395205    -11.72816655
  O     19.91765692      8.12646197    -14.13115614
  H     17.77218873      6.96772468    -10.57329535
  H     13.53211655      4.35474964    -14.65533906
  O     11.22750594      6.54084734    -15.67300978
  H     10.62859612      6.83137666    -13.85442785
  H     12.19844830      4.21469085    -13.89178321
  O     18.47252364      6.65313312    -12.26322619
  H     11.13801043      7.56490971    -12.59230784
  H     13.62642208     11.33729171    -13.95215167
  O     17.85113796      8.73767280    -15.79336134
  H     12.47292697      7.84946917    -15.31122184
  H     13.73902265     10.21889005    -15.00327462
  O     17.75838302      3.97293381    -12.73305408
  H     12.99917125      8.48195396    -13.99958370
  H     15.65417187      4.52818274    -10.63086480
  O     17.79863216      9.99309971     -9.95277063
  H     15.38351036      7.51992300    -10.20756092
  H     16.80307737      5.27323959     -9.91798899
  O     16.22096843      8.11422888    -13.00036104
  H     15.12312139      7.92508784    -11.64880697
  H     14.86347505      4.88912547    -13.15744141
  O     13.02362142     11.48777511    -12.09309862
  H     20.74220863      8.09766815    -14.60865111
  H     16.16892308      4.37045485    -13.77334558
  O     12.57406790      4.35720051    -14.76993088
  H     19.21957107      8.30687801    -14.78613617
  H     11.07666543      5.29040977    -12.32831494
  O     14.08955256     11.08610809    -14.76038155
  H     11.71849044      5.73381942    -15.43464997
  H     10.78082494      3.90825454    -11.69412584
  O     16.57072092      4.43438088    -10.33286800
  H     10.71994345      6.33616523    -16.45337217
  H     18.31220583     10.59684539    -12.99939779
  O     15.30334998      4.72429148    -14.00553578
  H     18.33710663      5.73477119    -12.52960958
  H     19.45347962      9.57562195    -12.91130227
  O     11.46486555      4.42300333    -12.11295165
  H     19.08606415      7.06183638    -12.88755891
  H     12.56136888      9.70909835    -12.14735232
  O     18.99570846     10.25700251    -12.40650545
  H     17.47990517      9.53768850    -15.40339604
  H     13.17169853      8.39303973    -11.60724841
  O     12.51509416      8.74703921    -12.22210805
  H     17.11353367      8.11679244    -15.86767996
  H     16.51703389      9.77517072    -13.56033866
  O     16.66309979     10.65756628    -13.94234034
  H     17.36936059      4.04182952    -11.84135254
  H     15.82182191     10.92342718    -14.34325272
          69
 Energy    -248.61869331136805     
  O     16.13701464      7.93669793     -9.45476763
  H     15.68118944      7.11089575     -9.25531147
  H     15.46773281     10.29840081    -15.34331717
  O     10.79075847      9.01561138    -12.47561937
  H     16.88817725      7.68456017    -10.00389923
  H     12.56418267      8.63470830    -15.31844501
  O     13.18876948      3.29970413    -13.62294566
  H     10.61588494      8.06761313    -12.45942558
  H     13.30360670      9.90220460    -14.76880287
  O     15.27671919      6.73287667    -16.14834781
  H     11.35280063      9.17234779    -13.24806754
  H     14.69125688      6.22848663    -13.43835361
  O     10.97432686      6.13342714    -12.18097730
  H     12.59882917      3.42456114    -12.86897272
  H     15.65081725      5.10379715    -13.00359251
  O     13.42568982      2.84483063     -9.53947760
  H     13.79510063      4.05850933    -13.65362787
  H     13.78064695      8.36687935    -13.44421824
  O     11.98689594      9.77896021    -10.15527200
  H     14.35026511      6.88191089    -16.37536561
  H     15.23524394      8.28647190    -12.87007810
  O     16.55427293      4.76550983    -11.44546517
  H     15.27659422      6.12341978    -15.39881219
  H     15.23993814      9.46815323     -9.95620761
  O     16.75922183      8.95534095    -15.84431078
  H     11.67434441      6.51948183    -11.63376734
  H     13.86714236     10.14682987    -10.24139931
  O     11.38054695      3.44627969    -11.34936492
  H     10.90622035      5.22136122    -11.87503554
  H     12.61290128      8.03109732    -10.24282229
  O     12.51261565      7.24006682    -16.55265460
  H     13.52776223      2.20519449     -8.83970371
  H     13.53916633      7.47617816    -11.35181866
  O     14.79544577     10.86194078    -14.94060184
  H     14.04112068      2.58755728    -10.25127119
  H     12.07902647      4.57044581    -14.64352616
  O     12.63796460      9.22883192    -14.56133500
  H     11.36505034     10.22868403     -9.58991081
  H     11.33950582      5.73155812    -13.95790107
  O     15.02974351      5.35883938    -13.69772229
  H     11.52461526      9.60002447    -10.99416249
  H     15.73545433      3.04789069    -11.63036156
  O     14.36409587      7.87559168    -12.85028607
  H     15.92469156      5.00126939    -10.74695756
  H     14.53124661      2.49212081    -12.43020788
  O     14.82018145     10.25920720    -10.32422303
  H     17.22391984      5.45980496    -11.44346291
  H     15.55955762     11.04252089    -11.63732582
  O     12.98118674      7.21479814    -10.60090772
  H     17.35292994      9.03927548    -16.58511574
  H     16.39002174     12.25166763    -12.13021950
  O     11.61030355      5.39288669    -14.82205106
  H     16.23833906      8.14486441    -15.99222517
  H     14.24315472      4.58412935     -9.32627343
  O     15.06003434      2.35640006    -11.63386593
  H     12.02108719      3.27148739    -10.64302668
  H     14.01573419      6.02857155     -9.83349411
  O     16.03763193     11.40986569    -12.40467712
  H     10.77505752      2.70729343    -11.35496259
  H     19.08185072      7.26802513    -11.28825595
  O     14.68645674      5.42595145     -9.47333999
  H     12.15340646      6.54950362    -15.96531862
  H     17.79818953      7.73579629    -12.01201381
  O     18.14653731      7.09740329    -11.36643963
  H     12.00183528      7.21080105    -17.35702771
  H     16.81386703      9.81159666    -12.81304093
  O     17.02812639      8.90695620    -13.07993353
  H     15.16270250     11.15581668    -14.09757315
  H     17.04170603      8.88952211    -14.04656907
          69
 Energy    -248.61861241007227     
  O     13.94289826      4.97777482    -10.15950727
  H     13.21174932      4.88951802    -10.78126609
  H     13.79246011      9.25102878    -13.75672461
  O     17.55928001      8.30385634    -14.28458703
  H     14.75040257      4.82793533    -10.67085358
  H     17.20888549      8.91862897    -12.58692416
  O     16.18425628     11.59079061    -11.14265447
  H     17.04435589      7.48525490    -14.32074146
  H     16.72324903      9.96188853    -11.50146120
  O     11.25779968      7.92615296    -14.72918874
  H     18.47371038      8.04060725    -14.11780443
  H     13.77549474      8.30603078    -11.69247264
  O     18.82618532      3.62156194    -11.87137822
  H     16.14797386     12.10415896    -11.96067293
  H     15.24679336      8.43168405    -12.17489986
  O     13.44239115      6.19593892    -14.13126446
  H     15.28559119     11.57350218    -10.79376380
  H     12.52893293      5.20546491    -12.92949620
  O     17.05760187      7.05741100     -9.85409923
  H     11.07715430      7.85456275    -13.77418912
  H     11.58039245      4.05021409    -12.53364880
  O     13.36976283     11.47009379    -10.41185438
  H     10.41194919      7.94693371    -15.16791102
  H     20.93392659      7.57333088    -13.54504337
  O     18.85364568      4.77212609    -14.33445550
  H     19.21244060      2.75096092    -11.84393506
  H     19.89149329      6.97308856    -12.57354877
  O     15.91674667     12.84259133    -13.67228613
  H     18.88567360      3.92996978    -12.79383124
  H     16.61061937      9.79491811    -14.93907303
  O     13.23439200     12.13238548    -13.03084234
  H     12.73662480      6.68140980    -14.57454358
  H     15.13283531     10.24144736    -15.08775133
  O     13.40545438      9.74525005    -14.49559377
  H     13.83071177      6.82505699    -13.49855489
  H     15.29616995      5.83292782    -14.42900980
  O     16.87676698      9.02367529    -11.68696458
  H     16.26971819      7.13715034     -9.30618728
  H     16.25524213      5.54354655    -13.25857412
  O     14.36318981      8.15143046    -12.44306425
  H     17.04595124      7.81719358    -10.46010938
  H     18.81767012      6.56780174    -10.44969350
  O     11.98595447      4.84943990    -12.20636232
  H     13.24023933     11.71883020    -11.34537181
  H     19.40222353      5.32281627    -11.14830938
  O     20.03807670      7.25069156    -13.49538287
  H     12.99338945     12.17307878     -9.88806873
  H     11.43208528      7.98584623    -11.35940368
  O     16.04579597     10.55731940    -15.11645163
  H     17.94036333      5.05072491    -14.48684464
  H     11.16492188      6.58873146    -11.95627084
  O     16.22891294      5.82077450    -14.18735142
  H     19.35508769      5.58626156    -14.20002560
  H     16.62961933      5.69194694    -10.97038437
  O     19.55316956      6.26417695    -10.99617651
  H     16.02982383     12.04867247    -14.22639699
  H     17.13360017      4.35567820    -11.57607136
  O     10.93443590      7.52182729    -12.04501404
  H     16.34647047     13.55984137    -14.12926410
  H     14.30894265      6.91925883     -7.69681229
  O     16.37383873      4.94972318    -11.53847192
  H     13.15720522     11.35008175    -13.59364610
  H     14.21650719      6.33048340     -9.12539520
  O     14.44160963      7.13244497     -8.61717521
  H     14.07695358     12.53682475    -13.27382681
  H     12.96698666      9.68188406    -10.21633104
  O     12.77378665      8.73484932    -10.25396675
  H     12.61977726      9.24927898    -14.75022085
  H     13.32028683      8.28636673     -9.59562928
          69
 Energy    -248.61834867906720     
  O     11.26930695      9.93225664    -14.15842226
  H     11.66995624     10.80795076    -14.14647556
  H     18.91237895      8.21133862    -15.65396596
  O     17.18192737     10.91093349    -12.33827520
  H     11.63123088      9.48892505    -14.94025270
  H     14.36908795     11.47755976    -16.94988328
  O     16.90474418     10.86958914    -15.11004768
  H     17.45445921     10.96710815    -11.41457494
  H     15.43106221     11.85934347    -15.89995822
  O     13.38203839      6.15183484    -15.88293583
  H     16.21238174     10.97416919    -12.33678501
  H     14.08076242      8.98224387    -15.09177170
  O     15.39573883      9.43138244     -8.78983367
  H     17.15684614     11.06802705    -14.19864950
  H     14.67385152      9.57061181    -13.78320929
  O     15.24521977      7.04113506    -11.54289541
  H     16.20685577     10.19691749    -15.04955798
  H     11.13634659      8.83077220    -12.83973602
  O     14.46294720     10.87469709    -12.46006317
  H     14.34307059      6.13511647    -15.95628944
  H     10.22308554      7.97295612    -11.93185734
  O     16.36796610      8.59973036    -17.94851972
  H     13.19486976      6.08008208    -14.93316334
  H     18.43202689      8.98398734     -9.74311903
  O     16.39282135      6.74504922     -8.96476667
  H     14.60528815      9.41102425     -9.34468486
  H     18.36717168      7.98317561    -10.90469226
  O     18.74646578      9.69647876    -16.70737601
  H     15.66127567      8.50851624     -8.68928866
  H     12.32856971      6.81940404    -12.79199971
  O     16.14032864      6.87079680    -15.74525016
  H     16.01594517      7.38166346    -12.01619362
  H     13.79902938      6.39294766    -12.62033523
  O     18.86502056      7.45360737    -15.05023230
  H     15.56133847      6.77702867    -10.66948298
  H     18.09076632      7.91231796    -13.40727236
  O     14.55341769     12.09049888    -16.22682886
  H     13.83097444     11.43606072    -12.92492597
  H     17.48965153      9.09947200    -12.59244098
  O     14.89244884      9.06235783    -14.57297829
  H     13.99301974     10.32729927    -11.81559530
  H     17.88615780     11.39165406     -8.89819385
  O     11.13431283      8.19588098    -12.10047003
  H     16.22494595      7.89751766    -17.29860208
  H     16.81038073     10.34555378     -9.27028853
  O     18.56194996      8.05230589     -9.95914247
  H     17.22375281      8.98006322    -17.72639363
  H     14.93717265      9.55946653    -18.18515691
  O     13.00194510      6.22268069    -13.13730140
  H     16.60187112      6.03689919     -8.36215057
  H     13.90462188     10.17990494    -19.15533716
  O     17.62099445      8.14104403    -12.59796200
  H     17.23900607      7.13212824     -9.25312325
  H     14.04611138      8.31321310    -11.04371350
  O     17.64840710     10.74908652     -9.56127031
  H     18.11920899     10.20011274    -16.15731981
  H     12.55738301      8.74477449    -11.08739911
  O     14.12449580     10.09381370    -18.23138503
  H     19.34961790     10.32820033    -17.08985353
  H     13.38943081     12.28811170    -14.92949337
  O     13.42716868      9.00236869    -10.75630384
  H     17.06503808      6.85330585    -15.47967654
  H     12.46963470     13.24881277    -14.14108087
  O     12.79847390     12.35400631    -14.15843751
  H     15.71692564      7.55885374    -15.20724819
  H     13.04304964      9.13918609    -17.00794794
  O     12.64760986      8.74606077    -16.22232465
  H     19.64982317      6.93111330    -15.19883505
  H     12.81580062      7.78956173    -16.22712958
          69
 Energy    -248.61828210720066     
  O     16.67705896      8.05315680    -16.51346068
  H     16.71954969      7.22380376    -16.00754834
  H     19.86254402      4.25732894    -15.83869980
  O     13.73507507      5.37724403    -17.95702192
  H     16.93794848      8.75333087    -15.90191852
  H     18.56131268      7.62879730    -17.08337815
  O     17.90008532      5.97300348    -12.60520026
  H     12.95632011      5.40506214    -18.50537096
  H     19.35008006      6.33271624    -17.30244279
  O     18.45710829      4.48068212    -17.28747174
  H     13.69372146      6.15163938    -17.36515795
  H     17.32481146      5.74543922    -14.31396436
  O     12.39478514      7.02896086    -11.09780839
  H     17.54694493      5.12807680    -12.29583487
  H     17.61635932      5.25816106    -15.76670389
  O     14.18283771      4.28322996    -13.36062594
  H     18.86407310      5.93374574    -12.62334723
  H     14.75413894      7.85979528    -16.38954520
  O     16.28020794      8.15883685    -12.54543945
  H     17.79985571      4.93112630    -17.84341682
  H     13.78355603      7.34840723    -15.30540505
  O     18.31296326      2.46778508    -13.85284914
  H     18.10715266      3.59675658    -17.11570634
  H     15.76164005      4.56716216     -8.60077063
  O     12.97351840      4.38423864    -10.82709021
  H     11.53069144      7.27268414    -10.77818096
  H     15.44497417      5.60498120     -9.70260544
  O     19.91967415      8.31012524    -14.55368884
  H     12.48821281      6.06912320    -10.95948621
  H     14.46039485      4.26449793    -16.68927703
  O     17.05379831      2.14458234    -16.44118061
  H     14.11179415      5.24697191    -13.42545576
  H     15.60176152      4.54523521    -15.67371925
  O     20.18221246      4.16343239    -14.93804216
  H     14.28936102      3.96009439    -14.26302252
  H     21.45812435      5.80252690    -12.57251424
  O     19.45487693      7.26526088    -17.08985732
  H     16.89611380      7.40952789    -12.51158234
  H     20.56959693      5.34175783    -13.75492556
  O     16.94378173      5.65105908    -15.19535581
  H     16.68322677      8.81391772    -13.12581885
  H     15.72306185      3.82998913    -12.48608008
  O     13.88320470      7.46638554    -16.25993570
  H     17.68435248      2.74351083    -13.17461127
  H     16.27782070      3.86406782    -11.04837706
  O     15.53122375      4.65170062     -9.52211200
  H     17.80277492      2.23807239    -14.63815818
  H     15.55521268      7.71116132    -10.85195024
  O     14.98011450      3.86452283    -15.98107473
  H     13.76411837      4.33791110    -10.27546692
  H     14.15077776      7.33046647    -10.35176399
  O     20.65074308      5.99912793    -13.03884319
  H     13.27160588      4.17147769    -11.72269048
  H     16.51602363      6.82320224    -18.09739999
  O     16.52019051      3.66405343    -11.96172104
  H     19.91891314      7.93981872    -15.44860396
  H     15.56334065      5.69397022    -18.49883818
  O     15.08802920      7.27602748    -10.12748324
  H     20.24137976      7.60965994    -13.97637108
  H     14.72969485      7.47469987    -13.19449077
  O     16.48787525      5.96724101    -18.54040462
  H     16.23230712      2.64870756    -16.31381456
  H     13.27590460      7.16168660    -12.75144617
  O     13.89971327      7.06730942    -13.48221174
  H     16.81204869      1.31449160    -16.84437396
  H     18.49488541      9.26354430    -14.43705849
  O     17.64277169      9.73846717    -14.46326045
  H     19.59626183      3.51875819    -14.50892877
  H     17.84663967     10.66978772    -14.45768432
          69
 Energy    -248.61801695004291     
  O     11.60940411     11.05778393    -15.28383201
  H     11.99689695     10.32592369    -15.78261543
  H     14.17708916      5.90773588    -15.94538315
  O     15.45847590      6.59210492    -13.15393183
  H     11.22181017     10.66625502    -14.49174440
  H     18.82329429      6.57405311    -12.57639765
  O     17.13795413     11.82037162    -12.22091949
  H     16.35978443      6.75324249    -12.84685615
  H     18.26800173      7.83193616    -13.27608098
  O     18.03731848     11.61059103    -14.74994239
  H     14.84707467      6.77196472    -12.42682314
  H     16.55774126     11.71445702    -15.93537651
  O     12.30052565      6.40772379    -15.92896146
  H     17.21784911     11.51031110    -11.31277098
  H     15.09086149     12.19959059    -16.09595925
  O     14.48856929     10.10813446     -9.02195901
  H     16.20450338     11.70639297    -12.45337355
  H     15.08511845      8.19228968    -13.95786267
  O     13.56350816      7.35510561    -11.29989594
  H     18.77854915     12.19655590    -14.88221415
  H     15.68339550      8.88164004    -15.19082877
  O     14.57794377     11.30836666    -13.10987897
  H     17.77044071     11.70687635    -13.81774700
  H     10.87676908      8.80350039    -13.11860611
  O     16.61985737      8.06102392    -16.63964523
  H     12.49630405      7.31732651    -16.21130219
  H      9.68392931      9.69653178    -12.70326232
  O     14.95874353      7.26844605     -8.88283528
  H     11.65764905      6.06136758    -16.54332500
  H     17.36497734      9.00297900     -9.86373793
  O     18.46055079      8.78970854    -14.70443149
  H     14.54672295      9.16357851     -8.83300859
  H     17.64522140      7.82042848    -10.82578638
  O     15.13445417      5.87053524    -15.84161576
  H     13.84333655     10.19503104     -9.73632911
  H     12.21281196      7.04661923    -12.61996587
  O     18.12977117      7.22756224    -12.52531926
  H     13.36075797      8.30129656    -11.33091116
  H     11.82961112      6.82180783    -14.11272798
  O     15.81111135     11.74185349    -16.54621572
  H     13.94945117      7.19354082    -10.42981278
  H     17.40618368     11.32373456     -8.80368029
  O     15.02650236      8.99484548    -14.49183466
  H     14.77799468     10.50343017    -13.61420804
  H     16.12148189     10.66705690     -9.35528024
  O     10.59882313      9.72611905    -12.97092859
  H     14.23189967     11.95506970    -13.73585545
  H     15.36227134     10.54545436    -17.69712988
  O     17.31601813      8.04233097     -9.94652046
  H     16.16818794      8.54418273    -17.33987786
  H     15.17752912     10.10475526    -19.17077834
  O     11.52928293      7.20850459    -13.28251147
  H     16.12853855      7.23989957    -16.47737760
  H     13.48643589     10.57177088    -11.91913228
  O     17.05816203     10.84635669     -9.55262213
  H     15.09884865      6.68288283     -8.14432628
  H     12.03488044     10.05345186    -11.78615588
  O     15.07136906      9.81120893    -18.27051852
  H     15.83806336      7.47835175     -9.24908698
  H     13.23189951     13.78523812    -15.22706969
  O     12.88752011     10.08020313    -11.33708605
  H     17.96583507      8.47135457    -15.47267993
  H     12.81954449     12.29222627    -15.24998104
  O     13.57932414     12.89894342    -15.18021038
  H     18.37397876      9.75004292    -14.71082607
  H     13.67555750      8.98866016    -15.69777775
  O     13.08261323      8.98242248    -16.46590906
  H     15.28503936      5.95666971    -14.88909783
  H     13.62864219      9.23909916    -17.21934596
          69
 Energy    -248.61792811600304     
  O     17.97862592     10.83457084    -14.30733419
  H     18.01359981     10.47329631    -13.41401675
  H     11.14000379      9.22320357    -10.33910916
  O     14.95904400      6.70842071    -11.21521351
  H     17.26799438     11.48719575    -14.31087640
  H     16.31314212     12.47033839    -10.97216356
  O     12.10722289      8.64499658    -13.78433808
  H     13.99689009      6.63289534    -11.24943277
  H     14.78442931     12.40482873    -11.18845497
  O     13.40392655     11.28318827    -10.67548640
  H     15.29505518      6.39322842    -12.06675855
  H     14.57955968      9.98297952    -11.30831968
  O     12.84352415      6.71525071    -15.58844750
  H     12.17836227      7.94051661    -14.44554466
  H     14.99474594      8.48183214    -11.54083440
  O     15.80649455      5.97932159    -13.75116234
  H     12.82586335      9.26022821    -13.98927757
  H     18.08388075      9.51093637    -15.44019697
  O     14.36954474     10.17074119    -14.30655095
  H     13.29371658     11.00472549     -9.75629961
  H     18.75610294      8.81693369    -16.64968865
  O     15.88352244      9.89815689     -8.38284684
  H     12.58073907     11.07875943    -11.13597969
  H     11.73428120      3.63717183    -11.63326971
  O     13.75134005      4.19291842    -14.49639289
  H     13.05172381      5.82280396    -15.28945860
  H     12.04327032      5.08543402    -12.04863375
  O     13.22514664     10.14221205     -8.13679727
  H     13.69315430      7.11175257    -15.82462250
  H     18.37258161      7.65712160    -14.34836110
  O     16.98775202      7.61610643     -9.50218413
  H     15.21278094      5.25945502    -13.99721099
  H     17.56272947      6.68110541    -13.48113479
  O     11.40510438      8.55941302     -9.69002607
  H     15.64696787      6.68800475    -14.39151447
  H     10.23722591     10.78484994    -12.23003961
  O     15.59607130     12.81487491    -11.51758569
  H     14.69294808      9.86494515    -13.44293603
  H     11.31064848      9.74488417    -12.61607137
  O     15.13717355      9.39306601    -11.82982607
  H     14.73074574     11.05594291    -14.42379488
  H     12.19988778      7.39775250    -12.37897865
  O     18.10473933      8.69041355    -15.96535998
  H     16.23978929      9.03820168     -8.65040741
  H     11.89551519      7.31263643    -10.85496304
  O     12.08365125      4.16249069    -12.34831314
  H     16.44306237     10.55271858     -8.81265234
  H     17.87150885     10.77727462    -10.61231473
  O     18.30889489      7.29388565    -13.45642057
  H     13.15351818      4.11068561    -13.73333346
  H     18.49475949     11.85263874     -9.69714080
  O     11.02932737     10.35633878    -11.91514381
  H     13.72315360      3.35969321    -14.95944941
  H     15.04821607      8.79050968    -15.27705526
  O     12.21414503      6.80554016    -11.61629300
  H     13.01664328     10.44462711     -7.25707509
  H     16.30648670      8.17000005    -15.92649686
  O     17.66088870     11.51395928    -10.01508490
  H     14.19096413     10.01024447     -8.16439271
  H     15.70336441     12.74545742    -13.24063595
  O     15.39417560      7.97933026    -15.67622860
  H     16.29510434      7.14802620     -9.99012964
  H     15.69263554     13.48289382    -14.60113284
  O     15.75996195     12.61843972    -14.20529987
  H     17.53657628      8.02939626    -10.17489825
  H     16.89883551      9.42733776    -11.79810659
  O     17.87015228      9.40597137    -11.78346681
  H     12.01697648      9.00249889     -9.08962272
  H     18.14157404      8.64563920    -12.32061542
          69
 Energy    -248.61781860068157     
  O      3.73757431     -3.05839609      1.22517107
  H      4.55935160     -2.54421755      1.18398667
  H      6.78938231     -4.70954173     -0.05698946
  O      3.01136916     -2.25322513      3.71492060
  H      3.35647066     -2.88489271      2.09968872
  H      5.19683257     -5.23229855     -3.57881891
  O      9.46794836      0.08346293      1.83701885
  H      2.75812265     -1.32126212      3.71365244
  H      4.93920156     -3.77307834     -3.14336903
  O      2.87833600      1.27613436      1.08627140
  H      3.79091662     -2.30748692      4.28174642
  H      1.97665245     -3.38816944     -1.98783354
  O      5.35686933      0.52276245      4.21349040
  H      8.56081043      0.42169541      1.91528607
  H      0.71899973     -2.90525893     -2.75573134
  O      2.57274951      0.56901525      3.67386478
  H     10.03587738      0.74174252      2.23091904
  H      5.68637752     -2.52262433      6.04556578
  O      9.83295658     -3.86347759     -0.11653413
  H      3.68241938      1.67479496      0.73669297
  H      6.10487538     -2.58745226      4.55957998
  O      7.08814638     -1.70767597     -1.31854346
  H      2.69559218      0.51381242      0.51933243
  H      5.49358080      2.89547687     -0.60109389
  O      6.04037673     -1.57253794      1.22815126
  H      5.47331020     -0.34398652      4.62110508
  H      5.27455319      1.38080040     -0.80248664
  O      9.67541600     -1.07035205     -0.76436288
  H      4.40465574      0.62334439      4.08865687
  H      5.04462648     -4.57672622      1.45830972
  O      2.72087353     -1.03255946     -0.47094371
  H      1.86595468      1.07655480      4.06340428
  H      6.38900585     -4.56620436      2.19238869
  O      7.23202763     -4.46718505     -0.88550490
  H      2.64605387      0.85689546      2.74648161
  H      6.73327058     -2.61477497      2.52635567
  O      5.23509593     -4.64494795     -2.82762379
  H     10.43851461     -4.54957330     -0.38752155
  H      8.06767226     -3.09428765      3.13321144
  O      1.58910965     -2.63715542     -2.47469730
  H      8.95080537     -4.14398337     -0.40924302
  H      3.19935344     -4.11849676     -0.23138796
  O      5.48048043     -2.17595956      5.18125760
  H      7.12428258     -2.67144251     -1.27457194
  H      3.75186872     -4.69207660     -1.56046933
  O      5.36708899      2.07566457     -0.12922983
  H      7.99657618     -1.38135467     -1.23223655
  H      3.24821199     -2.30854118     -3.37784476
  O      5.91328711     -4.99252582      1.46632493
  H      6.45356070     -1.63797798      0.35741516
  H      4.49226547     -1.41106168     -3.24137584
  O      7.10771410     -3.16246774      3.23314291
  H      6.22730160     -0.68506960      1.55629404
  H      5.74009590     -0.62791985     -1.71033565
  O      2.93862489     -4.51855152     -1.07152528
  H      9.68288784     -0.61321879      0.08642851
  H      4.22485072     -0.42387784     -1.36616534
  O      4.18361575     -2.24541948     -3.61086378
  H      9.90066898     -1.99109825     -0.57749996
  H      6.36901409      1.45618443      1.33732237
  O      4.97386167     -0.04959820     -1.85282968
  H      2.99151030     -1.72413330      0.14690005
  H      6.34616242      0.93367698      2.82712361
  O      6.86536360      0.97047980      2.00699022
  H      2.19781564     -1.46360817     -1.15790239
  H      9.67319455     -1.75921954      2.33425693
  O      9.69921943     -2.70710584      2.51713836
  H      6.61034267     -4.64929996     -1.60154424
  H      9.80681148     -3.14306286      1.66270440
          69
 Energy    -248.61779223829996     
  O     20.97125604     11.62068082    -18.59308071
  H     21.28672256     12.49726047    -18.30694624
  H     19.73259563     17.47613975    -17.56522734
  O     16.10923860     17.90933142    -13.87304167
  H     21.67536466     11.22442918    -19.09865972
  H     20.66196300     17.64380862    -15.56077278
  O     22.21120260     14.73832577    -15.00865822
  H     15.71283674     18.74572616    -13.64466974
  H     20.22493575     17.07695033    -14.20106719
  O     15.38678017     13.08109702    -13.78863338
  H     16.33600573     17.95954732    -14.82040531
  H     17.13075181     12.68674131    -13.20634821
  O     16.92764826     11.44524043    -17.29495110
  H     21.79899166     15.61842225    -14.94021496
  H     18.69659305     12.75627224    -13.35302449
  O     15.79042494      9.64833573    -15.51602831
  H     23.06688822     14.80508926    -14.59329544
  H     18.71382145     10.16545059    -14.72771522
  O     21.70444380     14.07091596    -17.73502167
  H     14.64605308     12.52495300    -13.56059412
  H     18.09270793     10.69654834    -13.42053802
  O     19.54401846     15.80902643    -18.09908780
  H     15.26583161     13.93816982    -13.34260922
  H     15.80144684     15.30418961    -17.57597677
  O     15.39840479     15.48489522    -12.54504340
  H     16.57520669     12.30820725    -17.03471910
  H     16.50822097     15.71473766    -18.87485843
  O     20.01430712     13.05444699    -14.52298349
  H     16.44267864     10.78004018    -16.78814757
  H     17.79186890     17.23638195    -13.50512949
  O     18.34549632     12.34464464    -19.52610255
  H     16.55498398      9.68555279    -14.91679236
  H     18.47099861     16.12460954    -12.66316879
  O     19.74504405     18.33131494    -17.10099741
  H     15.52367804      8.73271086    -15.54230412
  H     16.58674241     17.39046855    -17.06394000
  O     20.98330691     17.14975126    -14.79745292
  H     21.98831467     14.28371870    -16.83883932
  H     17.84292783     18.20867598    -16.65002056
  O     17.96984589     12.56584798    -12.73926862
  H     21.01638065     14.71456519    -17.95295024
  H     18.22100425     14.82203217    -10.42121773
  O     18.09192727      9.94374196    -14.02219406
  H     19.11187799     15.51825058    -17.28043471
  H     17.98961959     14.03764480    -11.73310913
  O     15.98899767     16.06502209    -18.14239505
  H     18.96979920     15.56066343    -18.83421373
  H     18.59528242     11.17816959    -16.62303104
  O     18.60071957     16.71533818    -13.41522061
  H     16.18417250     15.38021278    -11.99409775
  H     20.07770301     11.08543411    -17.05008921
  O     16.92781327     18.02527657    -16.41615359
  H     15.52745642     16.30361186    -13.04048315
  H     18.44079785     15.67950793    -14.99020244
  O     17.94137385     14.91990819    -11.32763796
  H     19.96153709     12.33450746    -15.16963772
  H     19.00368013     14.28447386    -15.33703338
  O     19.49142353     11.02636623    -16.28612748
  H     20.84825141     13.52561575    -14.63857294
  H     17.69556036     15.02768781    -21.02366574
  O     18.46108191     15.00662587    -15.68097929
  H     19.24517494     12.07530912    -19.30867284
  H     17.95927941     13.98036932    -19.91790696
  O     17.79504733     14.92688554    -20.08105184
  H     17.77598731     11.94603650    -18.85356630
  H     15.68613894     13.60816366    -15.51873924
  O     16.04896287     13.89627016    -16.36550908
  H     20.06995184     18.97717101    -17.72340703
  H     16.88957071     14.33353325    -16.15762413
          69
 Energy    -248.61776067899501     
  O     19.16272057     11.29888184    -18.73003534
  H     19.53952695     11.71671327    -19.49913925
  H     14.77988190      8.62929440    -16.95790348
  O     15.75199149      8.55581879    -10.49010946
  H     19.89371276     10.85618858    -18.25958676
  H     17.36030246      8.37436046     -9.80921562
  O     20.56937207     11.89210412    -13.14544842
  H     15.63106181      7.93263833    -11.21687244
  H     18.38232757      8.19201604     -8.65978152
  O     21.01730801      9.86792701    -17.38743474
  H     15.75621024      9.43801782    -10.88586278
  H     19.64726285      6.84642909    -17.15600197
  O     16.11094961      5.90742291    -15.51444277
  H     19.97074918     12.57742428    -13.47638753
  H     20.37192553      6.57166014    -18.49658185
  O     16.26035213     10.98209890    -11.90491046
  H     20.07834861     11.43065267    -12.45518521
  H     16.88496459      9.50836480    -14.98611216
  O     15.40696525      9.35382364    -13.93596397
  H     21.28430586      9.94933439    -16.46413118
  H     17.66538790      9.28301709    -16.32768890
  O     18.63798601     13.62014275    -14.09301136
  H     20.79298676      8.94088146    -17.53649945
  H     18.45167174      8.29298232    -18.21871693
  O     18.54621846      6.64994646    -11.91578268
  H     15.74254513      5.08297601    -15.82295807
  H     18.06236534      9.76353310    -18.49331096
  O     15.23835544     12.61367729    -15.61036806
  H     15.79093295      6.59884581    -16.12043921
  H     18.93935647      8.87003556    -14.40695265
  O     15.97165169      6.88789171    -12.86985991
  H     16.13731653     11.88852527    -12.21438018
  H     20.45590667      8.85169319    -14.07919954
  O     15.31892033      7.87272054    -17.21599099
  H     17.21184032     10.82186487    -11.83085413
  H     19.13244186      9.56511753    -12.36347793
  O     18.31069387      8.31336784     -9.60217667
  H     15.54907199      8.46962583    -13.57121636
  H     18.83540782      9.60450006    -10.84625510
  O     19.98343001      7.26428126    -17.96942500
  H     15.64705187      9.99080693    -13.24845061
  H     21.37747506     10.76206414    -14.14884266
  O     17.74004684      9.61509226    -15.42395276
  H     18.45489422     13.25672136    -14.97043088
  H     22.70310829     10.01319487    -14.42187083
  O     17.71597373      8.91888542    -18.17971022
  H     17.78070124     13.66883631    -13.65696396
  H     15.59498960     13.19436355    -14.00013047
  O     19.61117158      8.44451876    -13.84818371
  H     19.04892761      7.19820745    -12.53100268
  H     15.41728791     14.26274051    -12.89569616
  O     18.92549744     10.15988024    -11.63145367
  H     18.58912517      7.09731020    -11.06132315
  H     12.96285302     10.04157116    -15.89498171
  O     21.77506313     10.01916879    -14.64092472
  H     14.74512491     11.83158868    -15.87901988
  H     14.34716481      9.81100971    -15.24298295
  O     15.89711074     13.46848735    -13.11551284
  H     16.10997719     12.54383445    -16.02518226
  H     18.31462327     12.08114273    -17.25751475
  O     13.90124506     10.08564420    -16.06468237
  H     15.93515833      6.43522062    -13.72161408
  H     17.90711453     11.35913108    -15.95589263
  O     17.88981961     12.21790076    -16.40363083
  H     16.86344060      6.73401444    -12.52082692
  H     19.20525830      6.89392981    -14.96566708
  O     18.94392988      6.30793122    -15.68453414
  H     16.06854914      8.22804713    -17.71280426
  H     18.00077415      6.13544731    -15.57518710
          69
 Energy    -248.61770255664240     
  O     15.53675993      4.98768629    -12.08838290
  H     15.71220046      4.58875079    -12.95450460
  H     18.96967922      5.71425846    -15.99773298
  O     15.12209401     11.58735594    -12.58704128
  H     16.32025025      4.87572395    -11.53613898
  H     16.13628556      9.18322530    -15.88207759
  O     17.61545818     11.19642454    -14.02102373
  H     15.94907015     11.56095485    -13.08090204
  H     16.49723707     10.61126703    -15.42612177
  O     11.04240665      7.81964413    -16.21125521
  H     14.50046873     11.03490861    -13.07772928
  H     15.30782007      8.10292897    -11.95894893
  O     16.61540004      7.19963024     -9.20907950
  H     17.91538508     10.47681284    -13.44174898
  H     15.85486591      6.76891683    -12.48867403
  O     12.74259610      7.18706967    -14.05607868
  H     18.31193757     11.84860130    -14.03008831
  H     15.04057420      7.72751139     -9.87494533
  O     13.61531846      9.85697900    -14.28163757
  H     11.58129004      7.49015113    -16.94080886
  H     13.70466321      7.42520811    -10.61612173
  O     13.76769300      9.75013809    -17.81034045
  H     11.47901360      7.51158975    -15.40458780
  H     18.49191176      4.41385538    -10.23410494
  O     16.05573430      4.15797799    -14.63364202
  H     17.10300242      6.47323122     -9.61425470
  H     18.44069986      5.53907872    -11.29642296
  O     16.36311067      7.50858268    -15.33348204
  H     17.18495081      7.97717322     -9.26196566
  H     12.44476410      5.20978923    -11.17932180
  O     14.24442741      5.88484920    -15.99326798
  H     12.75281565      6.79432118    -13.17626879
  H     13.87836108      5.47830003    -11.69692537
  O     18.43807018      5.73210747    -15.20553114
  H     13.10201795      8.08379993    -13.99271748
  H     18.28655477      9.36053983    -11.37770998
  O     15.88001535     10.11359845    -15.97534011
  H     14.38812765      9.92409175    -14.85942221
  H     17.40986674      8.61816123    -12.41257072
  O     15.87686049      7.72347078    -12.64013398
  H     12.86899145     10.18880553    -14.79793505
  H     19.04220348      6.16551654    -13.46741920
  O     14.30129124      8.13501850    -10.35795547
  H     14.56082215      9.97867694    -17.30827492
  H     19.06182303      7.38988881    -12.51802115
  O     17.91844726      5.06966890    -10.62129714
  H     13.02791340     10.14776444    -17.33408433
  H     18.41457840     10.19400128     -8.90554479
  O     13.00734647      5.88606779    -11.54807393
  H     15.40416496      4.60052793    -15.19468759
  H     17.09387370     10.11537585     -9.71122822
  O     18.24172241      9.10639672    -12.30969579
  H     16.91531671      4.52246428    -14.87485024
  H     12.92505549      6.98173054    -19.11369091
  O     19.21829970      6.43816076    -12.55845799
  H     16.17361470      7.66087239    -14.39479774
  H     13.35169012      8.07687383    -18.10773980
  O     17.97623724      9.71140801     -9.60042257
  H     15.64648447      6.95207898    -15.67042757
  H     15.35085564     11.08376606    -10.87670664
  O     13.04538367      7.15521856    -18.18399884
  H     13.86116252      6.19083842    -16.82488583
  H     14.91937471      9.86807994    -10.03332182
  O     15.49943838     10.64075450    -10.02854520
  H     13.69568694      6.25562921    -15.28523775
  H     11.25788389      9.56391716    -16.16106133
  O     11.56929064     10.48590984    -16.11733033
  H     17.77448971      6.43238265    -15.32816909
  H     10.79675848     11.04306283    -16.14773179
          69
 Energy    -248.61755206722424     
  O     13.18500813     12.92500901    -15.14663616
  H     13.89822131     13.53976529    -15.34950023
  H     18.52205745     11.97739853    -14.48467902
  O     18.09604776      7.26153132    -13.51398635
  H     13.26620439     12.21638973    -15.79916759
  H     17.91766771     10.07096428    -19.37169248
  O     18.51664675     11.70521206    -10.89541127
  H     18.19619529      7.65165043    -14.39025527
  H     17.09809571     10.66657773    -18.20647298
  O     16.45117693     14.33863109    -13.28456818
  H     17.34261042      6.66040152    -13.56283209
  H     16.62590322     10.17758871    -12.61790698
  O     15.68792083      5.70713269    -13.62593436
  H     17.80155700     11.85569081    -10.26824859
  H     15.67921428     11.42058615    -12.65570445
  O     15.24450638      9.16872106    -10.27308584
  H     18.44053685     10.76775546    -11.12724914
  H     14.04331111     10.09530125    -17.45889431
  O     14.22897437      6.91517108    -11.64034789
  H     17.36456235     14.02686050    -13.26985295
  H     13.89887382     10.28496434    -15.93839633
  O     12.38001871     12.36701412    -12.61438950
  H     16.19513945     14.41022598    -14.21171392
  H     16.91979282      8.95291987    -11.07210503
  O     14.77825505      8.65433078    -18.33170252
  H     15.15274356      6.11673554    -12.92495618
  H     17.89856807      8.43008579    -12.19571207
  O     17.95513649      8.74454779    -15.99912442
  H     15.63377233      4.76400354    -13.49308703
  H     12.66665271     10.49046778    -12.07720152
  O     15.51939830      7.32120481    -15.91940077
  H     15.49339262      9.98135604     -9.81645263
  H     13.32297842      9.40182376    -12.92137175
  O     17.96348053     11.36518988    -14.97598069
  H     14.49490168      9.39462260    -10.84460550
  H     14.03945068     12.74384284    -11.92043978
  O     17.41803584      9.83583599    -18.59347975
  H     14.72677198      7.41931861    -10.98386285
  H     15.42951713     13.44017795    -12.18218247
  O     16.05740578     10.71224317    -13.18992988
  H     13.49470635      7.49915442    -11.85536611
  H     19.89397226     13.61967582    -12.98598414
  O     13.91022175     10.76926514    -16.77781939
  H     12.62666252     12.54723238    -13.53959629
  H     18.89640566     12.66056427    -12.29901988
  O     17.70927640      9.16101795    -11.58962379
  H     11.54564261     12.80498963    -12.46749341
  H     15.81707257     12.27763747     -8.59992338
  O     13.01904427      9.59600572    -12.02067842
  H     14.92007775      8.04226261    -17.59660014
  H     15.61605341     12.19951800    -10.13241783
  O     14.95924844     12.79239059    -11.63325978
  H     15.65952177      8.94476332    -18.59405221
  H     16.96414618     11.79853689    -16.38486608
  O     19.06514026     13.16654249    -13.11484328
  H     17.91186965      8.94126560    -16.94285456
  H     15.52693735     11.56742621    -16.98524580
  O     16.04324088     11.76565801     -9.37220450
  H     18.07627901      9.60378973    -15.57153107
  H     15.50263406     15.12225140    -16.60296304
  O     16.38365164     11.99703649    -17.13671275
  H     16.37464678      7.77518269    -15.91577332
  H     15.87504330     13.62890303    -16.48764070
  O     15.53669297     14.39046080    -15.99104020
  H     15.55122160      6.64747424    -15.22841744
  H     14.56266674      8.53111027    -14.96004740
  O     14.15484790      9.26897068    -14.48918273
  H     17.23048789     11.15581044    -14.37401042
  H     14.86583343      9.76249064    -14.04912446
          69
 Energy    -248.61712671560500     
  O     11.58561622      3.18233174    -11.19838502
  H     11.56575355      3.84620622    -10.49201124
  H     18.98660616      5.13780452    -16.28011568
  O     17.84118820      4.76040040    -10.19427823
  H     10.82863163      2.61551927    -11.06406167
  H     17.51980715      6.16138579    -12.74271473
  O     14.65436019      8.41929887    -12.11144791
  H     17.19575387      4.10915175     -9.89848674
  H     18.03229332      5.24664094    -13.88032889
  O     15.57331276      8.61959315    -16.45042823
  H     17.84371432      4.74350603    -11.16061243
  H     12.00947977      7.65095761    -13.77925103
  O     17.97786095      7.38489178     -9.55387294
  H     14.27507671      8.92958636    -11.38859702
  H     10.48369132      7.85873500    -13.70992853
  O     14.35587273      5.23478816     -8.68363704
  H     14.52560552      7.48002627    -11.88086809
  H     14.61420908      5.10197559    -12.00111482
  O     15.84697066      2.92827083     -9.20049703
  H     16.39063566      8.58298617    -15.92081653
  H     14.42812698      5.61301661    -10.54638478
  O     13.59894154      7.95758101    -14.57119185
  H     15.69274785      9.31503200    -17.09141085
  H     14.66394129      2.65732371    -12.02628080
  O     15.91820258      5.77818775    -16.79744553
  H     17.93859821      6.42458890     -9.71650704
  H     13.34396831      2.47226863    -11.24784927
  O     11.55811892      5.09552814     -9.16833759
  H     18.78301548      7.54658751     -9.06913739
  H     14.16516379      8.85284385     -9.26299132
  O     17.84217930      8.29853135    -15.00037596
  H     14.82748042      4.39333512     -8.73938733
  H     13.41332691     10.20593098     -9.28166341
  O     18.37931797      5.55561703    -15.67595370
  H     13.40875216      5.06395420     -8.75430580
  H     12.11221813      8.15580931    -10.18014546
  O     17.68186002      5.23745247    -12.98091479
  H     16.13458640      2.15939285     -8.71605377
  H     11.41383628      7.47366088    -11.38199834
  O     11.21221563      7.42040607    -13.27520861
  H     15.29317117      2.60779955     -9.93583774
  H     16.43041123      8.18635352    -12.21851446
  O     14.33554301      5.85797061    -11.47315074
  H     14.01441525      8.19826207    -13.72782381
  H     17.66661057      7.87385010    -11.34236605
  O     14.27402233      2.21922517    -11.25425512
  H     14.18626780      8.26808563    -15.27058774
  H     15.01210433      6.92440925     -8.47465461
  O     13.49753819      9.37696870     -9.74391250
  H     15.15730115      5.40834752    -16.32945019
  H     16.25314304      7.75694449     -8.85447038
  O     11.46808786      7.47788728    -10.41833853
  H     15.75614201      6.72820356    -16.84560055
  H     14.81152198      4.23760888    -13.93864809
  O     17.36776853      7.94621747    -12.25664233
  H     10.94760005      5.16160598     -8.43863684
  H     16.16801268      4.26771593    -13.17054004
  O     15.34472182      7.83088544     -8.53954865
  H     11.53108920      5.95384069     -9.63116969
  H     11.54697545      4.10277427    -12.88925837
  O     15.30435826      3.83516507    -13.21077403
  H     17.77240694      8.29581570    -14.03610337
  H     11.30047444      5.50045530    -13.49035303
  O     11.47296945      4.57975071    -13.72362924
  H     18.18157329      7.42883973    -15.24500217
  H     13.76605602      6.12080199    -14.90435443
  O     13.77463426      5.17445140    -15.10134921
  H     17.50623276      5.55386167    -16.10871571
  H     12.94327868      4.82758591    -14.74585351
          69
 Energy    -248.61696071588875     
  O     15.16851963      0.56806915    -16.16324022
  H     14.68755358     -0.24459632    -16.29453436
  H     15.05219559      1.84593288    -14.72142553
  O     19.59827391      8.76553524    -16.59871616
  H     14.80916566      1.21312126    -16.79890559
  H     17.92035677      3.70140315    -19.05081843
  O     14.91614460      3.90700071    -20.11901652
  H     18.88868633      9.40739751    -16.72989688
  H     16.60782271      3.03966808    -19.49205646
  O     17.14420317      6.08279033    -12.27412432
  H     19.34506053      8.24000093    -15.83027777
  H     17.55213261      7.66203595    -14.93104570
  O     17.31874996      8.86508028    -19.56163162
  H     15.22372910      4.81148996    -19.94400764
  H     18.04502912      6.85337002    -13.71456549
  O     14.65677829      6.62280941    -16.94508725
  H     14.61154286      3.89294199    -21.02278122
  H     15.60510452      7.92346446    -16.11619386
  O     18.73413194      4.92471295    -16.09236401
  H     17.19408467      5.12577039    -12.44698023
  H     16.41650709      9.25110958    -16.09889223
  O     17.28291836      3.44596003    -12.82954225
  H     17.32590581      6.20149979    -11.34548437
  H     11.88123269      6.93419883    -14.71041901
  O     17.29569398     10.34871025    -17.29009365
  H     16.75245010      8.08708203    -19.63407407
  H     13.35927477      6.65432639    -14.35604584
  O     16.00047615      4.37281957    -16.21777270
  H     18.22731882      8.53751295    -19.57740845
  H     13.62323853      3.05867943    -17.14327745
  O     18.51012600      5.44977835    -18.75623706
  H     13.83110877      6.64229026    -16.44774848
  H     14.31415527      3.05347587    -18.56237482
  O     14.98476112      2.68090665    -14.24097866
  H     15.13107067      5.83254482    -16.63726685
  H     20.02004479      2.04511363    -14.54698209
  O     17.43494981      2.86558890    -19.03202931
  H     18.65777118      5.69716491    -15.51464150
  H     18.74430543      2.08719275    -15.42400994
  O     18.32148668      7.19228801    -14.57528751
  H     19.04559679      4.17357691    -15.57286763
  H     15.43965335      6.52546280    -18.56583330
  O     16.09128115      8.53354338    -15.54248686
  H     17.97407532      3.09483306    -13.40356669
  H     16.82386704      6.03858201    -19.11591377
  O     12.64818284      6.43946912    -14.98629846
  H     16.44890433      3.08591870    -13.15942298
  H     15.47463599      6.75569044    -12.98360121
  O     14.27513271      2.61240899    -17.70704336
  H     17.24067009      9.87013106    -18.13680987
  H     15.18784730      7.82206107    -14.05173195
  O     19.23118102      2.55205959    -14.71737432
  H     17.20567158     11.27632440    -17.48990289
  H     19.90964276      8.13097649    -18.20101648
  O     15.94579488      6.35929727    -19.37495841
  H     15.74214139      3.71414922    -16.87404165
  H     20.81460061      8.05448455    -19.45473646
  O     14.75725483      7.20429906    -13.44494671
  H     16.96153404      4.45603389    -16.21803908
  H     17.73880620      1.85067910    -17.55254951
  O     19.95123439      7.82235240    -19.12429660
  H     19.09062157      6.18346430    -18.98931619
  H     16.97828398      0.99823579    -16.50549048
  O     17.82986414      1.40725422    -16.69655314
  H     18.66091121      5.26846609    -17.81551988
  H     13.29128170      3.30120734    -15.02109148
  O     12.71176919      3.67524897    -15.69721574
  H     15.34674919      3.35654358    -14.83698585
  H     12.59946041      4.60210136    -15.45469118
          69
 Energy    -248.61691069819045     
  O     11.77017710      6.43313574    -12.15316762
  H     12.37657894      5.71291005    -12.36085943
  H     14.59319844      5.96262541    -14.98807657
  O     17.54545422      9.45072011    -15.04093041
  H     12.13372857      6.85878727    -11.36362658
  H     16.65081145      5.64999630    -13.77149902
  O     17.20369761      8.52689840    -12.41575323
  H     16.77008461      9.25533672    -15.58690009
  H     18.10736053      6.14917361    -13.86994446
  O     16.95266004     12.04167144    -14.17052583
  H     17.47835100     10.38504449    -14.80378272
  H     14.05046648      8.17438242    -11.77819109
  O     13.21457632      7.74643342    -10.17288497
  H     17.36590070      8.93720296    -13.27481076
  H     15.38994042      8.54492644    -12.48881203
  O     15.21785189      9.08790726    -16.54122052
  H     17.30547294      7.57557577    -12.55582701
  H     14.56782732     10.19434699     -9.60695392
  O     14.43020068     11.48774620    -15.48456941
  H     16.66423880     11.99660627    -13.24131419
  H     13.39747574     11.08510988    -10.07285144
  O     17.04508751      5.56955053    -16.80828980
  H     17.40593967     12.87424002    -14.27541828
  H     14.25492697      4.58112831    -13.46952578
  O     11.02817247      8.21299399    -14.07197535
  H     13.94843653      7.36991295     -9.67276511
  H     13.51568730      3.45758063    -12.71347966
  O     15.91256109      5.23333964    -10.96317361
  H     13.15818559      8.67412665     -9.89576789
  H     13.40903468      9.85320224    -13.10490455
  O     13.59630700      7.45140380    -14.99377550
  H     14.62727606      8.47285520    -16.08553188
  H     11.99259569      9.86566186    -13.68956722
  O     15.19892215      5.22235210    -14.83880087
  H     14.90983679      9.97924585    -16.32118444
  H     15.81142919      6.33652443     -9.63763501
  O     17.42699089      5.88080241    -13.24036358
  H     15.22378812     11.77829336    -15.01904692
  H     15.83262944      6.57776707     -8.10910149
  O     14.43587229      8.48229032    -12.60809596
  H     13.79216295     11.22521479    -14.80898634
  H     19.91185938      7.23222866    -15.49101338
  O     13.62046107     10.34845039     -9.49252993
  H     16.76041965      6.16001816    -17.52088207
  H     18.56965348      7.95555698    -15.24975905
  O     13.75506195      4.38039762    -12.66042982
  H     17.79711038      6.00793623    -16.39537941
  H     16.18288108      8.76946690     -9.48825851
  O     12.71425278     10.44865928    -13.42874146
  H     10.11788000      8.06623067    -14.31352137
  H     16.79468826      9.26475909    -10.79711433
  O     15.65498675      7.00275273     -8.94396575
  H     11.23347433      7.57711447    -13.36161623
  H     15.80649375      7.74423092    -19.43449405
  O     18.99410827      7.08267175    -15.27732580
  H     15.12482803      4.91711723    -11.42144359
  H     15.84565216      8.15724378    -17.95476023
  O     16.36215206      9.57620886     -9.98799542
  H     16.58153902      5.35553352    -11.64875135
  H     16.20251836     11.21959151    -10.99067448
  O     16.21028704      7.52836170    -18.59793350
  H     12.65069867      7.62576537    -14.94209466
  H     15.09248632     12.14005706    -11.54971631
  O     16.02504626     11.90807826    -11.64177803
  H     13.95138467      7.74964620    -14.14000132
  H     12.92946116     11.72356021    -12.20629379
  O     13.21150280     12.33312120    -11.50369160
  H     15.80646478      5.20439135    -15.59402682
  H     12.65650020     13.10592592    -11.56735774
          69
 Energy    -248.61634541580941     
  O     14.66992745     11.94640770    -11.87805056
  H     15.36689357     11.74610325    -11.24303886
  H     15.15577361      7.91160249    -16.44505738
  O     14.53599127      6.88615418    -15.07416861
  H     15.06949896     11.81469988    -12.74976178
  H     16.86739282      4.91863447    -14.78331743
  O     16.82096615      6.39488795    -10.15023479
  H     14.94023063      6.01455707    -14.99790489
  H     16.06562220      3.91770204    -15.64198823
  O     17.99326154      7.32377952    -12.43030011
  H     13.70147349      6.88407373    -14.58481457
  H     18.60430954      9.09911675    -12.06085830
  O     13.98260572     10.82468202    -16.35559702
  H     16.27719916      7.19483926    -10.11987345
  H     18.67036586     10.36883491    -12.92708442
  O     12.25246399      5.56824795    -10.32193037
  H     16.20059452      5.66173382    -10.06450917
  H     15.29005724      8.04852138    -13.89721324
  O     12.25836921      7.12466765    -13.55803966
  H     17.22809379      7.81065924    -12.77466707
  H     15.72444581      9.51588501    -13.59879764
  O     15.28769361      8.71136045    -10.51560329
  H     17.70360468      6.90230861    -11.60671985
  H     11.56382662     11.59065221    -11.63124154
  O     18.14661317      8.41042159    -16.01916182
  H     13.32538712     10.44274967    -15.74551633
  H     13.06363102     11.29860809    -11.86843451
  O     11.70063362      4.49966939    -12.74261244
  H     13.50464433     11.39880307    -16.94774539
  H     14.98487643      3.93368676    -13.37088693
  O     18.42278040      5.82678123    -14.62410445
  H     12.31415183      6.52817985    -10.41659655
  H     13.53253288      3.90726046    -12.81658052
  O     15.58842700      8.55277406    -17.02711002
  H     13.13137502      5.25278256    -10.07618323
  H     12.13299470      8.85903638    -14.36273871
  O     16.00202613      4.48985066    -14.87988678
  H     12.43513559      7.50837778    -12.68682800
  H     12.17443129     10.24430866    -13.69743684
  O     18.63502150     10.06308939    -12.01270036
  H     11.94324135      6.22663872    -13.39979202
  H     14.94024761      3.56993588     -9.49525769
  O     15.69534476      8.62241516    -13.23575250
  H     15.37833201      8.66939758    -11.48173549
  H     14.76189154      4.08276090    -10.94312646
  O     12.16940725     10.91568056    -11.92586219
  H     15.75868409      9.50715701    -10.24256986
  H     19.21359614     11.25160464    -15.26866834
  O     14.44859914      3.68255225    -12.61080220
  H     18.23304269      7.52435231    -15.65820472
  H     18.44867421      9.90692477    -15.23455417
  O     12.23848114      9.79899713    -14.55162679
  H     17.27906643      8.45487080    -16.45156923
  H     13.54600103      8.39029898    -10.72199554
  O     14.83644508      4.36417604    -10.01365027
  H     11.82027538      4.83413847    -11.83356963
  H     12.32740569      9.16944222    -11.24427171
  O     18.54585785     10.76890970    -14.78934265
  H     10.91912101      3.95400865    -12.73527409
  H     17.50078210     10.73695184    -10.85701231
  O     12.62936316      8.28160150    -11.01649368
  H     18.34050051      6.33580833    -13.79705882
  H     17.29622375     11.44564966     -9.49920918
  O     16.82623577     11.04901563    -10.22757446
  H     19.32255085      5.51195691    -14.66284710
  H     16.75608572     11.18175442    -14.55614307
  O     15.82777662     11.22363895    -14.29369433
  H     15.06296102      9.35663762    -16.94599203
  H     15.27626700     11.16815165    -15.08488080
          69
 Energy    -248.61614732390441     
  O     -1.92452682      2.66153725      3.86928819
  H     -1.32048284      2.28228902      4.51713478
  H     -2.27621958     -1.92970171      2.34794063
  O      0.31781222     -0.85075569      3.89665110
  H     -1.89173537      2.07126181      3.09906563
  H     -4.72666854     -0.97821696      1.27253583
  O     -2.30070842     -2.99805115      0.91348364
  H     -0.61689788     -1.01028414      3.69244914
  H     -3.84857142     -1.98484008      0.49623269
  O     -1.40558797      0.28178569     -1.93562329
  H      0.35323977     -0.06517186      4.45396955
  H      0.86011009     -2.66197224      3.72911563
  O     -4.23431224      0.58416394     -1.55324894
  H     -1.87215663     -3.80004220      1.23619120
  H      1.86124894     -3.40099395      2.82093413
  O     -4.61099373      2.36156599      2.97737037
  H     -1.64045257     -2.53620012      0.37256764
  H     -0.05362307     -4.52370354      2.50391088
  O     -3.66080030      2.59930127      0.32632828
  H     -2.35539214      0.42860584     -1.85401775
  H     -0.73797537     -5.89469625      2.29449611
  O     -0.02396807      2.76603012     -1.74461510
  H     -0.98806401      1.15080882     -1.95522963
  H      0.50526244     -4.58680384      0.38282763
  O     -0.29714307     -1.69983927     -0.44194192
  H     -4.87153069      0.41454001     -2.24186175
  H      0.60963850     -3.33327244     -0.50394807
  O     -1.74829206      1.10705943      1.59534649
  H     -4.35907929     -0.10980287     -0.88077651
  H      0.28725713      1.58297286      6.36939242
  O     -4.89282989     -0.34043880      3.08667929
  H     -4.45614105      2.58823184      2.04984583
  H      0.82612297      2.24876673      5.08385587
  O     -2.24454150     -1.24389542      3.03050602
  H     -3.81295052      2.62728556      3.45188805
  H      2.57816860      3.97446095      4.24192830
  O     -4.51305952     -1.29264759      0.38622349
  H     -3.99793077      2.05948026     -0.39825413
  H      1.16226839      3.93278793      3.64450956
  O      1.09954461     -3.53687446      3.39819653
  H     -2.98353104      2.04873340      0.75347981
  H      2.42001051     -3.46140310      0.71295695
  O     -0.63026853     -5.03114115      1.90513800
  H      0.37753126      3.24285232     -2.46579973
  H      3.90609319     -3.32240013      1.12581844
  O      1.09665342     -4.12046791     -0.22034994
  H     -0.58676407      3.40060454     -1.26493136
  H      1.16043761     -0.66736437      2.29262376
  O      0.23951568      1.54774986      5.41675065
  H      0.31400249     -1.27009593      0.16860147
  H      2.19566269     -1.34284607      1.35426622
  O      1.70938664      3.60411261      4.37477503
  H     -0.66564445     -1.02024603     -1.02619648
  H     -0.79389466      3.77090623      2.85204611
  O      3.02805069     -3.01258500      1.32841034
  H     -0.84798101      1.25132215      1.28016903
  H      0.28197404      3.37795278      1.79484348
  O      1.56135957     -0.61810427      1.41219372
  H     -1.83095425      0.21470956      1.94992850
  H     -1.12670268      4.51884969      0.65459516
  O     -0.08081370      4.12329859      2.30048720
  H     -4.83921449      0.63098111      3.06416347
  H     -2.37617951      3.91024302     -0.03191453
  O     -1.55159447      4.38748151     -0.20078177
  H     -5.65955481     -0.55965299      3.60947149
  H      0.68523045      2.11651241     -0.13515177
  O      0.80566740      1.94258744      0.80753202
  H     -3.15358379     -0.96268424      3.19485948
  H      1.25238646      1.09289118      0.92255776
          69
 Energy    -248.61584118780976     
  O     -6.11030974      3.28680062     -1.51517915
  H     -6.94926768      3.69140611     -1.71757756
  H      0.19186811      2.70568790      1.68098178
  O     -1.61667980      3.40012363     -3.61535920
  H     -6.10692035      3.11041135     -0.55642577
  H      0.27479725      3.25385853     -0.52504931
  O     -5.92946538      2.72736207      1.12577449
  H     -2.25919808      3.63943692     -2.92451961
  H      1.28498164      4.03989504      0.34614775
  O     -2.52952653     -0.88883882      2.21595603
  H     -1.62365901      4.10282692     -4.25967995
  H      2.92973577      0.34047368     -0.00650221
  O     -1.32293998     -0.08774449     -1.29346946
  H     -5.29795981      3.22713475      1.65626829
  H      3.55740717     -0.97125971      0.52525952
  O     -2.84496342      0.79959068     -3.61021178
  H     -5.72770016      1.79132970      1.26087108
  H      2.03695352      2.03234858      2.69192785
  O     -2.81134288     -2.17426970     -0.40315889
  H     -1.59476144     -0.94425229      1.97985193
  H      3.08129587      1.13205246      2.01776038
  O      0.25575512      2.11274246     -1.97883447
  H     -2.61117113     -0.01619703      2.63061350
  H     -4.52344225      0.74730471     -2.93186471
  O      0.12208568     -0.43541710      1.14694588
  H     -1.86525524      0.57249016     -0.83031773
  H     -5.64493147      1.54406890     -2.20493003
  O      2.90562061      1.66479184     -1.14890110
  H     -1.75898799     -0.93920662     -1.13423923
  H     -3.00745527      2.63464993      2.97697698
  O     -5.01635366      0.06109901      1.10416240
  H     -2.27503443      0.35915722     -2.96986358
  H     -1.56911729      2.01657591      2.93203248
  O      0.15741373      2.06209072      2.40287822
  H     -2.43217638      1.65377831     -3.78197634
  H     -6.23360903     -2.17875388     -1.38968852
  O      0.34715895      3.83022431      0.24829089
  H     -2.79957225     -1.92889405      0.52990326
  H     -5.50944131     -0.82899632     -1.62774849
  O      2.89287679     -0.31406149      0.71423482
  H     -3.73347350     -2.11037508     -0.68402013
  H     -3.72805599      1.14482298      0.18867391
  O      2.97797480      1.97469096      2.47659536
  H     -0.27201560      2.58445042     -2.63584569
  H     -2.62188827      1.81517493      1.00123547
  O     -5.35850194      0.65858019     -2.44956907
  H     -0.19398071      1.27389641     -1.81076088
  H     -2.61815735      4.81053803     -0.15668117
  O     -2.51476628      1.80767313      2.91302394
  H     -0.26335027     -0.37275791      0.26427420
  H     -1.27114647      4.72760316      0.58316429
  O     -5.52969204     -1.62531534     -1.06419963
  H      1.07623955     -0.53358506      1.02765677
  H     -4.33212835      3.79137383     -1.66729800
  O     -2.91242586      1.65497055      0.09525713
  H      2.05121307      1.80472486     -1.57842118
  H     -3.15891875      3.05453841     -0.99485907
  O     -2.18409742      5.02801400      0.67848046
  H      3.10346418      2.48694286     -0.68388636
  H     -4.13203001      4.92035913      3.18945810
  O     -3.37223253      3.80820905     -1.56838101
  H     -5.31438035     -0.56543620      0.43152153
  H     -3.29555921      4.55857595      1.93868219
  O     -3.92204468      4.20469603      2.59519370
  H     -4.28644945     -0.35969778      1.57519565
  H      3.82822429      4.57925929      0.76822349
  O      3.14638971      3.93649962      0.59376233
  H      0.14241709      1.18335135      1.99438518
  H      3.17236767      3.29150498      1.32337208
          69
 Energy    -248.61577707736416     
  O     13.62945830     12.07365079     -8.08459961
  H     13.55283880     12.11399349     -7.13556387
  H     11.35040881     13.50055789    -13.29705243
  O     11.61272645     10.58466092    -15.01405970
  H     14.06801352     12.89707774     -8.36767007
  H     15.97462452     13.93867155    -16.37831964
  O     15.19056755     10.31075271     -9.79313604
  H     11.34763235     11.43062245    -14.62140212
  H     16.87969090     14.33297837    -17.57144885
  O     18.22613898     13.40691062    -12.68617284
  H     11.81788007     10.76332809    -15.94061058
  H     12.95732318     14.80431322    -11.62208110
  O     11.97781886     11.88751427    -10.33717498
  H     14.50995325      9.88932094    -10.33171390
  H     12.27759413     13.42223442    -11.28246885
  O     13.03950840      9.55891592    -11.55638152
  H     14.71035958     10.79743647     -9.11071428
  H     11.66216122     13.73158486    -15.41569456
  O     14.19202070     10.21145604    -14.01975255
  H     18.10287564     12.90110727    -13.50868757
  H     12.33912460     13.14915227    -16.66747932
  O     14.23106494     16.08493177    -11.14185728
  H     19.15733519     13.60375094    -12.62559882
  H     15.20531139     12.67026922    -12.23628513
  O     10.65707436      8.93778632    -12.99853322
  H     12.37407747     11.12254948    -10.77724542
  H     13.79267540     13.12544671    -12.68312625
  O     14.85060464     14.36981542    -15.12307979
  H     12.41617191     11.95916420     -9.48017985
  H     17.53729004     12.59535814    -15.74342529
  O     15.15191267     11.21054419    -17.56259547
  H     12.20572844      9.18509914    -11.86580403
  H     17.43147346     11.18956764    -15.12634467
  O     10.77843477     12.98821561    -13.88698366
  H     13.55268911      9.71975128    -12.36047052
  H     12.13748505     11.30901191    -18.43173787
  O     16.60169008     13.59303982    -17.03871493
  H     14.39136953     11.09671622    -13.67271100
  H     13.42358370     11.32312582    -17.57264167
  O     12.44378924     14.07181357    -11.98251875
  H     13.32304691     10.27369760    -14.43703735
  H     16.65109517      8.74012061    -15.43156383
  O     12.31792917     13.92670154    -16.09728803
  H     14.09900367     17.02904835    -11.11480938
  H     15.60587324      9.77112953    -14.94130998
  O     14.58482814     12.65534236    -12.97639624
  H     14.97057467     15.92580883    -11.75440441
  H     17.12382283     12.67348362    -11.34031752
  O     17.83202877     12.05732656    -14.99809794
  H     10.17212148      8.17992873    -13.31560686
  H     16.14836567     11.69445768    -10.53244377
  O     12.45489414     11.41744752    -17.53918557
  H     10.94533570      9.43301430    -13.78374929
  H     10.28668037     11.62319144    -11.23746553
  O     16.38633179      9.65270347    -15.51066115
  H     14.85857448     13.71525592    -14.40897294
  H      9.81171449     10.51252480    -12.18619254
  O     16.31443624     12.60385055    -10.82172415
  H     13.95663191     14.34859175    -15.49518672
  H     16.91686051     14.90975698    -12.81926541
  O      9.62709985     11.41890569    -11.91389038
  H     15.59431453     10.59561302    -16.96544742
  H     15.78373245     15.33311101    -13.77622921
  O     16.22519183     15.56836091    -12.94904494
  H     15.65157880     12.03474532    -17.50634904
  H     14.63727817     14.96478064     -9.64362527
  O     14.91018860     14.22104396     -9.09635469
  H     10.18109196     12.51119186    -13.29282165
  H     15.50295022     13.69996960     -9.66021191
          69
 Energy    -248.61573017658768     
  O     -6.43168306      2.80910444      0.35155804
  H     -5.54227531      3.17903317      0.47121595
  H     -0.08299726      2.07267572      2.79330319
  O     -6.48138376      2.41241889      3.16064940
  H     -6.64421318      2.93737006     -0.57984522
  H     -3.36820419      4.12403131      1.21495129
  O     -3.02133884     -2.86044004      1.85244616
  H     -6.70623299      1.47649052      3.22254818
  H     -3.53292855      2.70673161      0.62291585
  O     -4.07587076     -1.26572921     -0.08806525
  H     -6.60542592      2.65627478      2.23466739
  H      0.99784472     -1.28558222     -1.13575944
  O     -4.18246994     -1.34774514     -2.88787254
  H     -3.41105461     -2.34430838      1.12479563
  H     -0.08277497     -1.18589169     -0.03692061
  O     -6.45805640      0.02081415      0.42017997
  H     -3.14901989     -3.78123304      1.63751086
  H     -0.70815644      2.20901214     -1.14661968
  O     -3.89635841      3.67789378     -2.23879306
  H     -4.04075143     -1.37728459     -1.04535449
  H     -0.09600488      0.92091940     -0.53938992
  O     -0.48615757     -1.57758194      1.58757585
  H     -4.92760299     -0.85304169      0.12273848
  H     -6.58181422      0.00304780     -1.48124708
  O     -1.63678229     -0.11037405     -3.02697249
  H     -4.96693489     -0.77465817     -2.80867634
  H     -6.43374600      1.10352022     -2.54886795
  O     -4.52593192     -1.33228788      3.73329994
  H     -4.41913362     -2.05076755     -3.48719057
  H     -2.91112241      1.02430852      2.67837499
  O     -0.25999064      0.32094755      3.68885916
  H     -6.40872497      0.98800850      0.40760183
  H     -3.32503747      1.72024288      4.01192485
  O     -0.19530892      2.89031799      2.29717053
  H     -6.75408614     -0.22280557      1.30560806
  H     -6.12751529     -0.78761635      3.38729911
  O     -3.83261823      3.62268299      0.53099576
  H     -3.81553193      3.79834480     -1.28129004
  H     -7.65049549     -0.86882768      3.65642259
  O      0.14940033     -0.89715618     -0.93777121
  H     -3.04847754      3.32682658     -2.53137147
  H     -1.99311996      1.26978340      0.49359854
  O     -0.43744779      1.79649545     -0.31645924
  H     -0.34748105     -0.95470795      2.31194220
  H     -3.19379742      0.26687546      0.47618767
  O     -6.37370104      0.14917509     -2.41305436
  H     -1.30795069     -2.04609779      1.77493062
  H     -1.61726701      4.04181614      2.60871137
  O     -2.91235754      0.92910529      3.64379933
  H     -1.09536812     -0.51055234     -2.33498932
  H     -2.97241907      4.18375925      3.35400995
  O     -6.99316892     -0.42073627      3.13145635
  H     -2.49883330     -0.54277562     -3.00634879
  H     -5.54058130      3.23058015     -2.47902282
  O     -2.85342409      1.06956239      0.88680097
  H     -4.02778811     -1.95737875      3.19499081
  H     -6.92369226      3.58546450     -3.07573740
  O     -2.42643980      4.57225069      2.66126372
  H     -3.96230739     -0.54930560      3.81076105
  H     -5.06666592      2.98739291      4.00824512
  O     -6.48038938      2.97021437     -2.49832844
  H      0.09268390      0.21813818      4.56932878
  H     -4.50709750      3.62962935      5.29727586
  O     -4.24526503      3.21756558      4.47829827
  H     -1.20617439      0.52580907      3.78786380
  H     -0.81976279      2.88410793     -3.60650164
  O     -1.35410130      2.57111486     -2.88112478
  H     -0.15922049      2.63012964      1.36750377
  H     -1.48558130      1.61523665     -3.01770446
          69
 Energy    -248.61560592527337     
  O     11.59289326      9.72714957    -14.91938275
  H     11.93665100     10.62645872    -14.97127037
  H     15.17088006      5.55771230    -16.25263905
  O     16.57676364      6.58510170    -13.66101679
  H     12.13764346      9.20875092    -15.52828655
  H     20.01762661      6.93620371    -13.26311240
  O     16.82529269     12.05557798    -12.47105245
  H     16.03564919      6.55774046    -12.85992647
  H     19.14211364      7.96650379    -14.01223463
  O     17.18898703     10.93883354    -14.95483725
  H     17.48365152      6.80565392    -13.41541486
  H     15.91201383     11.57943281    -16.14515760
  O     13.29621644      5.52467503    -16.01600687
  H     15.89336975     11.80575507    -12.53978109
  H     15.14752333     10.90622800    -17.29616824
  O     15.32281896      9.26581663     -9.03365262
  H     17.11619975     11.70860795    -11.61980712
  H     15.75664624      8.13452930    -14.20167939
  O     14.86381123      6.68119678    -11.51085192
  H     16.56215458     10.20918979    -14.82863427
  H     14.63928591      8.70741426    -15.12362798
  O     14.26659078     10.97463700    -12.91442540
  H     17.21551015     11.41762354    -14.11318424
  H     11.32702485      8.81616387    -13.46905544
  O     17.41118257      7.59926947    -17.68704362
  H     12.70389813      4.83276213    -16.29670181
  H     10.28607469      8.23449700    -12.48423923
  O     16.53541367      6.86096597     -9.27345787
  H     13.13974292      5.65746983    -15.06260907
  H     18.76166967      8.12130955    -11.51108381
  O     18.87851670      8.82645118    -15.49435071
  H     15.95665487      9.93098333     -9.33140003
  H     17.94138959      7.77744104    -10.23605681
  O     16.11525382      5.74952795    -16.23939340
  H     14.58127785      9.28709784     -9.65309808
  H     13.54356209      6.07064186    -12.73470117
  O     19.20238662      7.42766103    -13.20282188
  H     14.41297990      7.53228459    -11.41139929
  H     12.22639471      6.73073651    -13.17818537
  O     15.11521708     11.65328395    -16.68966961
  H     15.41056442      6.57216227    -10.72323459
  H     18.10417554     11.29499093     -9.36590207
  O     15.30719925      8.94504631    -14.46921059
  H     14.63114586     10.23171154    -13.42197086
  H     17.92980733     10.03145069    -10.23945332
  O     11.21863214      8.25211994    -12.68191906
  H     13.76388004     11.50340284    -13.54472094
  H     15.25634633      9.34646626    -19.27829780
  O     18.51478196      8.44238581    -10.63602962
  H     18.02134500      7.15528706    -18.27080938
  H     16.06381592      8.72619567    -18.11690584
  O     12.84803925      6.02686000    -13.40210040
  H     16.94622167      6.90301346    -17.18650925
  H     13.72198333      9.82776074    -11.66985334
  O     17.50466339     10.86608904     -9.97163079
  H     16.09421839      7.71153914     -9.08799681
  H     12.59772878      8.78841893    -11.51325643
  O     15.27590813      9.25199338    -18.32867702
  H     16.62131004      6.40733830     -8.43966356
  H     12.71784028     13.11954564    -15.23784363
  O     13.43512017      9.07581410    -11.13002564
  H     18.42287751      8.43083849    -16.24466462
  H     13.71988089     12.03866005    -15.70186836
  O     12.97913885     12.21403456    -15.09432049
  H     18.43696190      9.67333858    -15.33336303
  H     13.96627665      8.55087287    -17.19656131
  O     13.41064353      8.28760316    -16.45295435
  H     16.32749062      5.93666525    -15.31265940
  H     13.35690146      7.32328415    -16.43271270
          69
 Energy    -248.61543412262975     
  O     13.38226891      3.13234879    -12.54924028
  H     13.23264481      3.95716272    -13.02559402
  H     10.46979983      9.17603866    -12.18146409
  O     11.86397052      1.20789269     -8.72713423
  H     12.74229796      2.50661377    -12.91002530
  H     10.46077383      3.08796205    -13.93973769
  O      8.74836533      6.31869546    -14.70298004
  H     11.14197044      1.76174220     -8.37815528
  H     10.96456514      4.55257447    -13.90087638
  O     14.58703456      7.42279807     -9.36653664
  H     12.01764078      0.52110210     -8.08330355
  H      8.79476886      5.99120933    -10.72363507
  O      9.89306413      5.54476045     -8.10338728
  H      9.07853588      5.42560780    -14.54211797
  H      8.15094177      7.32650383    -11.09079668
  O     11.27089060      1.45620355    -13.53373246
  H      9.51855813      6.82031029    -14.99979258
  H     12.05773155      5.65240499    -10.57065204
  O     13.65475818      3.06403524     -9.81619041
  H     14.60957388      6.60237514     -8.85830596
  H     12.27787418      4.22329510    -10.01277840
  O     12.43416409      5.60752466    -13.78209911
  H     13.96465486      8.00198661     -8.90907359
  H     11.34567399      6.11574318     -7.07424742
  O     10.87568813      8.57657027    -10.45964639
  H      9.25137829      6.08709678     -8.57205348
  H     12.87877085      5.86790649     -7.11489195
  O      7.59226622      7.90370712    -12.81215283
  H     10.57350251      5.33700076     -8.76707132
  H     10.91326101      0.80787802    -10.33015176
  O      8.06902475      2.21793533    -10.18651969
  H     10.92237518      1.16366548    -12.67287228
  H      9.49016167      1.12692739    -10.82061115
  O     10.12552781      9.22473579    -13.08273845
  H     11.37550479      0.67422590    -14.06910898
  H     14.20308302      4.26315355     -8.58835084
  O     10.16578573      4.00617078    -13.96632021
  H     13.12342595      2.32936612     -9.48139072
  H     15.11891549      4.60938273     -7.39757433
  O      8.61790878      6.87681206    -10.37486780
  H     13.67355081      3.02154246    -10.78559868
  H      9.46724468      4.23304055    -12.32407581
  O     11.62073510      4.92057307    -10.11634036
  H     12.11681008      6.29365257    -14.38244256
  H     10.12622406      4.44757662    -10.94249205
  O     12.19905963      6.47269066     -6.79319672
  H     12.66448503      6.08043338    -12.96753949
  H     12.19615497      7.60461452    -11.22843973
  O     10.33266737      0.74645714    -11.09788372
  H     10.11428072      7.99798664    -10.31419081
  H     13.62598021      7.12730973    -10.84944207
  O     14.38891249      4.93922181     -7.91699425
  H     11.30959788      8.73131131     -9.61111648
  H      9.06368893      2.50075724     -8.59756166
  O      9.27035884      4.33986553    -11.38463624
  H      6.74248091      8.19977401    -13.12760629
  H      9.72841032      3.67072582     -7.84623815
  O     12.89068574      6.97224564    -11.45957471
  H      7.93587607      7.28252487    -13.47951559
  H     12.47822676      9.56431358     -7.47960550
  O      9.74820217      2.71131884     -7.94949479
  H      7.12823309      2.20347765    -10.33960737
  H     12.29926850      8.02969147     -7.56218227
  O     12.39411042      8.83987987     -8.09408201
  H      8.41805855      3.00793501    -10.63631064
  H     11.46211699      8.35091474    -15.83199249
  O     11.17718430      7.76951410    -15.13200558
  H      9.21040298      8.92466458    -13.01746084
  H     10.88422253      8.33968441    -14.39842167
          69
 Energy    -248.61529192735873     
  O      1.47833674     -1.36421987      4.93687759
  H      0.61096081     -1.72019376      5.20001416
  H     -1.48127201      3.72459969      0.64355757
  O      0.67949947     -0.94682389     -3.02522276
  H      2.09275902     -1.60893412      5.62491879
  H     -2.19419088      0.03880089      4.10994556
  O     -0.99862278     -2.22922285      5.61271997
  H      0.15878435     -0.35782201     -2.46287132
  H     -2.46526698      0.74493377      5.43958940
  O     -0.70957140      0.37971745     -0.93576611
  H      0.32681145     -1.83029892     -2.86012655
  H      1.19759748      1.49882955      1.63473847
  O     -0.26132259     -3.45510963     -1.99143022
  H     -1.46721580     -2.94800778      5.17443978
  H      0.89903392      1.92874793      3.12096178
  O      1.93801035     -3.22321976     -0.39747041
  H     -1.58860209     -1.46538700      5.54338648
  H     -2.47863381      2.96251940     -1.60221126
  O     -2.80835135      3.30792958      3.47821875
  H      0.08222739      0.33874375     -0.38175618
  H     -1.70820894      1.84604571     -0.86060243
  O     -4.34975578     -1.85885908      3.57092699
  H     -1.23881049     -0.40431095     -0.73755721
  H     -0.74320098      0.86812023      2.42295709
  O      0.93467551      1.48051120      4.82905492
  H     -0.25933378     -4.31279329     -2.40813914
  H     -2.25083734      0.69952478      2.10132310
  O      3.07251941     -0.94168382     -1.71568078
  H      0.50229668     -3.43742682     -1.38629876
  H     -1.62346266     -2.55907335     -1.07707221
  O     -3.74016716      1.48343911      1.42275808
  H      1.91471622     -2.98365092      0.53725749
  H     -1.77067335     -2.24616560      0.42867518
  O     -1.09228603      4.08654186      1.44662430
  H      2.47087924     -2.54334517     -0.82917689
  H      0.61589487     -2.30859867      2.11747948
  O     -2.64997019     -0.07052666      4.95885294
  H     -3.35501404      2.72386912      2.94253789
  H      1.69176182     -1.84653608      3.11559740
  O      0.64608913      2.05958274      2.19382613
  H     -2.20587189      3.72809065      2.84609211
  H     -1.75630087      3.06214898      6.43910502
  O     -2.32341900      2.58868141     -0.73853848
  H     -4.42343755     -1.54804092      2.66225620
  H     -2.06577549      2.77671724      4.95198101
  O     -1.48232853      0.24936581      2.47717910
  H     -3.94500441     -1.14949078      4.08982384
  H      2.29507104     -0.11180924     -0.21227474
  O     -2.12398319     -2.02444978     -0.44874163
  H      0.09144198      1.71792354      5.23427630
  H      1.68664653     -0.61824932      1.12101248
  O      1.55665710     -2.08520489      2.19076687
  H      1.06371525      0.53207873      4.94487725
  H     -3.32439794     -3.23508483      3.84515160
  O     -1.66007517      2.40359588      5.75678515
  H      3.82466546     -0.73086778     -2.26172440
  H     -3.02201059     -4.74303577      4.03647720
  O      1.70501887      0.13259011      0.51002030
  H      2.28622408     -0.90840549     -2.28907131
  H     -1.61396434     -2.97721341      2.68460186
  O     -2.60843713     -3.89081351      3.93472437
  H     -3.37161318      1.92226863      0.64293340
  H     -1.28680200     -1.49292767      2.27490941
  O     -1.15161531     -2.42661407      2.04193121
  H     -4.14390348      0.65899070      1.12507076
  H     -3.71609651     -1.47496389      0.23825671
  O     -4.49193933     -1.14372484      0.71844431
  H     -0.39040054      3.46523344      1.69389791
  H     -5.25927240     -1.47794108      0.25895636
          69
 Energy    -248.61519503697662     
  O     -6.02153792      1.25601969      0.38298551
  H     -5.41042186      1.96119275      0.11952505
  H      2.00991739      3.26046811      3.31863461
  O     -6.12565613      1.57599632     -4.15762599
  H     -5.98272201      1.20619570      1.34555863
  H      0.26571842      4.20323679      1.63213447
  O     -5.44211442      1.14468210      3.12301419
  H     -5.73315219      0.68920342     -4.26045457
  H     -0.04172519      4.09423967      0.12949272
  O     -0.17149711     -0.64779383      0.67733568
  H     -6.59912491      1.76147757     -4.96435735
  H     -3.95282574      3.00746467     -1.32461991
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  H     -3.73568722      3.83047217      0.00899253
  O     -4.44691671     -0.94516901     -0.36080572
  H     -4.83306860      1.90398846      3.16397524
  H     -0.31216374      3.07042826     -1.95189769
  O     -2.85938721     -0.06982129     -2.51169724
  H     -0.84362491      0.03217932      0.50963505
  H     -0.62690966      2.27849922     -0.63619018
  O     -3.70075619      2.48087096     -3.05369940
  H     -0.37303061     -0.98111986      1.55827758
  H     -7.07548880     -2.78606127     -1.97259035
  O      1.77379391      1.41873953      0.72342602
  H     -5.44936071     -1.44975676     -3.57361756
  H     -6.88367789     -1.24933586     -1.97134208
  O     -0.13454206     -0.16046419     -2.09683792
  H     -4.11983205     -0.69369171     -3.73473056
  H     -1.13558281      0.84650852      3.36643289
  O     -1.17356748     -1.02574835      3.30878916
  H     -5.03698165     -1.51682560     -0.86813060
  H     -0.36757094      2.20143844      3.20428773
  O      1.23263828      3.02968617      2.81784761
  H     -4.97686474     -0.17160245     -0.11820928
  H     -3.86489889     -1.10326335      1.42025584
  O     -0.25177725      4.60187405      0.92262026
  H     -3.27827041     -0.38582143     -1.69998111
  H     -4.29635222     -0.31977871      2.67967633
  O     -4.09474175      3.01799655     -0.36847447
  H     -1.90323230     -0.18139760     -2.42612742
  H     -1.71678242      1.72858880      1.41436555
  O      0.08844285      2.65368092     -1.17538664
  H     -4.55588157      2.34721473     -3.47903248
  H     -2.70064096      1.95339223      0.22849988
  O     -6.41536624     -2.10188676     -2.03895536
  H     -3.34867870      1.59416995     -2.87020700
  H     -1.96257602      4.93421544      1.06328964
  O     -1.24386548      1.79576226      3.22429820
  H      1.25970440      0.60151517      0.76848695
  H     -3.06461073      6.01229752      1.16208878
  O     -3.68651333     -0.99700398      2.36363872
  H      1.41652477      1.90040213     -0.03442764
  H     -7.09292120      0.92445204     -2.59107704
  O     -1.85716643      1.55671699      0.47381507
  H      0.12088273      0.76240505     -1.99335724
  H     -7.08455411      0.77906787     -1.04912958
  O     -2.92451673      5.06983230      1.12243101
  H     -0.00900085     -0.56065647     -1.22561064
  H     -3.47694481      3.86806492      2.55591930
  O     -7.45327442      0.40566434     -1.86233425
  H     -1.07931683     -1.69993818      3.97549564
  H     -2.79320745      2.73193435      3.34504999
  O     -3.64546874      3.16615081      3.19333327
  H     -2.09424282     -1.07266614      2.98771780
  H     -2.14075727      3.35124399     -3.31941935
  O     -1.24543198      3.72468674     -3.31900315
  H      1.52198438      2.43531151      2.10129283
  H     -1.05241199      3.95046103     -4.22575389
          69
 Energy    -248.61514562796825     
  O     12.95171179     11.78369984    -17.27703138
  H     13.70382183     11.51704999    -17.81918640
  H     16.04499807     10.95633226    -17.10794870
  O     18.78342495      9.81321916    -10.57080935
  H     13.31747281     12.06255019    -16.42707409
  H     15.67322856      8.82917172    -13.84352852
  O     18.35610495     12.20886742    -14.69621031
  H     19.43641592     10.10088093     -9.93901096
  H     14.79374412      8.02148778    -12.86779140
  O     14.26397347      8.85121781     -9.76677252
  H     19.13084497     10.02672323    -11.45638873
  H     11.83455829     10.44127619    -17.36646924
  O     14.16832700      6.25362099    -12.89272381
  H     18.74412295     12.95671721    -15.14475261
  H     10.52680498      9.81606472    -17.91119009
  O     12.82510944     10.34303131    -13.21565861
  H     17.69844887     11.83087330    -15.30321926
  H     18.29558751      8.05914778    -11.10111107
  O     13.75572124      8.27062530    -18.17639116
  H     14.70394931      8.00991730     -9.93416693
  H     17.22020974      6.95109597    -11.20645192
  O     15.54471770      6.36296275    -10.54543838
  H     14.88599854      9.53746263    -10.04348420
  H     11.51030159      7.43302146    -13.41868193
  O     16.49369255      8.45101530    -15.38837703
  H     13.23056126      6.42074537    -12.70370994
  H     11.54410505      7.77515744    -11.91134001
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  H     14.25728816      6.20749430    -13.85184546
  H     16.97141734     12.62964447    -13.35112101
  O     19.57734277     10.22470232    -13.11741796
  H     13.68057154      9.88939792    -13.14524426
  H     16.11054853     12.09881894    -12.18339361
  O     16.34154888     11.10186202    -16.20016290
  H     12.36636404     10.16858666    -12.38542336
  H     19.46693509      6.97407725    -14.38629764
  O     15.15417536      8.90135670    -13.03277347
  H     12.86402501      8.60448416    -18.01411222
  H     18.54123601      7.44273041    -13.23727976
  O     11.33151946      9.61063536    -17.44352404
  H     13.93641673      7.63699770    -17.47266135
  H     17.02539794     10.35419484    -10.80661895
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  H     15.06362545      6.19824024    -11.37468526
  H     15.85918878      9.95430101    -11.75494444
  O     11.58804114      7.04177747    -12.53734077
  H     15.46525541      5.56853710    -10.02235248
  H     15.40113287     10.58014732    -19.57113005
  O     16.12789148     12.74623115    -12.90054775
  H     17.36081303      8.18111012    -15.05820571
  H     14.72676033      9.68188981    -18.50723350
  O     18.84815178      7.65589671    -14.13800770
  H     16.55111162      9.35548345    -15.72288666
  H     11.21072646      9.63303457    -10.11529007
  O     16.11554704     10.56832717    -11.04871747
  H     13.45469070      7.41661268    -15.43035242
  H     12.65605019      9.15133622    -10.37895965
  O     15.17090260     10.53782740    -18.64713633
  H     15.00973927      7.40385644    -15.62951072
  H     13.59476386     11.60736299    -14.26155407
  O     11.79655716      9.32676179    -10.80217723
  H     19.20730611     10.92296826    -13.67205547
  H     14.82109871     12.52721737    -14.11613297
  O     14.20452306     12.16109994    -14.76838412
  H     19.41751127      9.39116872    -13.57663305
  H     12.20077508      9.15088202    -14.42596623
  O     11.94698804      8.40639220    -14.99047708
  H     15.58074140     11.43597123    -15.70071998
  H     11.60581574      8.78191340    -15.81058574
          69
 Energy    -248.61460836781993     
  O     12.77402337     12.67765504    -13.84549782
  H     13.66662320     13.03243083    -13.90921394
  H     16.36835349     11.39601812    -16.60155073
  O     15.25722695      6.80381419    -13.71531844
  H     12.76872728     11.89856158    -14.42316110
  H     14.50222892      9.75748161    -14.68460274
  O     18.22536713      9.44165355    -11.96032435
  H     16.05661986      6.66155837    -13.18798433
  H     15.64614151     10.02611790    -13.66584256
  O     17.40324364      9.91259650    -16.16580656
  H     15.27208997      7.73724764    -13.98518495
  H     11.92332190     11.99083892    -12.50885574
  O     15.33828578      9.30690073     -8.84819476
  H     18.28621481      9.33032523    -11.00258364
  H     10.81324919     11.99294879    -11.42896751
  O     13.44451470      7.63268550    -11.75008515
  H     17.54822961     10.11728110    -12.11252171
  H     17.52894422      7.13612909     -9.40477750
  O     16.16433726     11.22207528    -12.41530154
  H     18.21627135      9.76308250    -15.67217868
  H     17.33352036      6.25182908    -10.64160510
  O     15.83509342      8.27865469    -17.79967650
  H     16.67706690      9.69534672    -15.55800679
  H     11.30858013      9.75880397    -12.76339792
  O     14.43781921      6.61713462     -9.30990701
  H     14.84474099      9.80087425     -9.51621535
  H     12.00728539      8.38981513    -12.76855617
  O     16.20154338      5.96547206    -16.17862500
  H     14.95710257      8.42025795     -8.85425189
  H     20.43289701      9.44726479    -14.35369408
  O     18.78106778      6.43869016    -14.89020198
  H     14.00753239      7.24025722    -12.43083098
  H     19.13248257      9.33084055    -13.53153967
  O     15.61711991     12.00280115    -16.66663467
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  H     18.16003141      6.45141004    -13.19402162
  O     15.35912321      9.43451964    -14.37231559
  H     15.98322335     11.99596918    -12.96404807
  H     17.83260808      7.63166319    -12.24075757
  O     11.51773806     11.46559323    -11.79441246
  H     15.37338025     11.02199120    -11.89149181
  H     18.47833323      9.35151000     -8.42703961
  O     17.10548261      6.32282074     -9.70360186
  H     15.90066375      7.42984934    -17.34650545
  H     17.06636120      9.19831858     -9.04023480
  O     11.44691107      8.96894592    -13.30101677
  H     16.52370282      8.83066706    -17.40384289
  H     14.44638452      9.34339576    -17.87910264
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  H     14.10915363      5.95856200     -8.70382652
  H     13.40099544     10.08160128    -18.74335663
  O     17.68214208      6.68775529    -12.38599347
  H     15.38216623      6.42333390     -9.45043546
  H     13.80850681      9.39110845    -11.35227897
  O     18.01312724      9.02277823     -9.19165198
  H     16.00139310      5.05126132    -16.36701581
  H     13.11243685     10.76573469    -11.19691064
  O     13.74173338     10.01468045    -17.85543459
  H     15.77338379      6.17346736    -15.33224004
  H     15.54748702     12.84539189    -15.12789015
  O     13.94966363     10.30475154    -11.06380511
  H     19.04473341      7.36624028    -14.92048636
  H     15.91488985     14.13850954    -14.36731342
  O     15.54336833     13.26787824    -14.25037620
  H     18.01727273      6.34301183    -15.47139347
  H     12.94054929     10.06741210    -16.15831088
  O     12.89164082     10.29321608    -15.22232463
  H     14.91417911     11.49671113    -17.08707529
  H     12.29652496      9.69960230    -14.74102883
          69
 Energy    -248.61460314186829     
  O      1.33057996      1.78906545      3.19324423
  H      0.67356324      1.81389834      3.90099743
  H      1.73478529     -3.78816359      1.73369932
  O      0.58148625      3.07419012      0.89350328
  H      1.79146215      0.94886758      3.28813931
  H      0.39575898     -3.89132248      3.58960741
  O     -0.42564491     -1.08266048      4.65540419
  H      0.86800808      2.61287847      1.70092579
  H     -0.48065270     -2.93543917      4.42056566
  O      1.34915352     -3.29193265     -2.62352503
  H      0.96228406      3.94797479      0.93107302
  H     -5.93701151      0.40631887      3.70178981
  O     -2.01012325     -0.94434578     -3.70345818
  H     -0.53548247     -0.21783892      5.06617478
  H     -4.88497384     -0.62328724      3.26611798
  O      0.81475032     -0.70695906     -3.22056592
  H     -0.90823251     -1.02719660      3.81419341
  H     -2.90750823     -0.74441509     -0.39082905
  O     -2.73280885      1.77936646      3.29802468
  H      1.97332853     -3.64609826     -3.25107723
  H     -2.76440043     -2.26031624     -0.02737653
  O     -2.75578355     -4.40194772      2.64186027
  H      1.23705150     -2.34863070     -2.84185571
  H     -1.77379866     -3.70469295     -1.84408972
  O     -2.09333792      0.58583784     -1.34791915
  H     -1.92831495     -1.85697656     -3.37337095
  H     -0.56599289     -3.53174263     -2.77976671
  O      0.67206183      0.99332175     -0.99682995
  H     -2.53398092     -0.98581468     -4.49889110
  H     -1.99904301      0.27169992      2.54322211
  O     -4.64717421     -2.18923285      2.44330295
  H     -0.10436237     -0.68894068     -3.51451514
  H     -2.30145420     -0.95271939      1.63761726
  O      2.07804325     -3.81649385      2.64238049
  H      0.88758469     -0.03170050     -2.53269520
  H      0.87313172     -2.50332242      0.37538836
  O     -0.47395210     -3.80347035      3.99555128
  H     -2.69442772      2.16743032      2.41072411
  H      1.19043565     -3.47729452     -0.79340114
  O     -4.99624430      0.27715028      3.61357733
  H     -3.58348239      1.33039363      3.41880122
  H      1.27137363     -1.05061131      3.94414794
  O     -3.26683008     -1.45465230      0.15666125
  H     -1.95428764     -4.19511866      3.15344108
  H      2.29942926     -1.95473090      3.24352033
  O     -1.52649891     -3.44601045     -2.74109159
  H     -3.08805520     -5.22925427      2.98209327
  H     -0.14596148     -0.72729800      1.36110712
  O     -1.65454527     -0.58114297      2.24914522
  H     -2.18660553      0.16521434     -2.21240957
  H      1.34239142     -0.84217256      1.74367572
  O      0.96405221     -3.44232226      0.14437907
  H     -1.14521711      0.73910169     -1.23230723
  H     -0.93868481      2.25788144      5.89383610
  O      2.08494676     -1.03019381      3.41658338
  H      0.73014035      1.81932916     -0.50266093
  H     -1.50110091      1.79218066      4.52975455
  O      0.73878646     -0.86787553      0.99099877
  H      0.78500187      0.29329914     -0.33474248
  H     -2.18264693     -4.13046858      0.88779763
  O     -0.75317495      1.69558822      5.14672971
  H     -4.39341960     -1.91770357      1.54930463
  H     -0.86834139     -3.78116572      0.13885546
  O     -1.82714184     -3.84708195      0.03567246
  H     -4.06970051     -2.93217319      2.64927958
  H     -2.36627934      1.97706075     -0.00396247
  O     -2.25218094      2.58196298      0.73841108
  H      2.72081266     -4.52122778      2.66985930
  H     -1.31495932      2.81429826      0.75582454
          69
 Energy    -248.61455914634629     
  O     16.66672092     11.38753353    -10.08186531
  H     17.06280964     10.49759034    -10.06898481
  H     15.30507323      5.24181067    -15.93328821
  O     12.39845869      6.35158117    -11.23246481
  H     17.19415089     11.92908519     -9.50084350
  H     16.55407135      5.56450378    -14.29800719
  O     17.08631437     10.12304656    -14.81834233
  H     12.84104278      5.68076929    -11.76713514
  H     18.05005290      5.71216713    -14.66203893
  O     17.73948821      8.26311940    -12.86290147
  H     11.97826864      6.96722813    -11.84322720
  H     14.75946351      8.14533455    -11.54702219
  O     14.15013923      7.92546176     -9.82977186
  H     16.83829253     10.79057930    -14.16212098
  H     15.94933658      8.33191598    -12.54262806
  O     14.66848816      9.47932731    -16.18898741
  H     16.27374486      9.88871648    -15.28519355
  H     13.91435598      9.77280811     -9.73607656
  O     13.36767701     11.65647862    -15.09172887
  H     17.63749817      8.90037717    -13.58319449
  H     14.79748716     11.02813693     -9.86581337
  O     16.31296627      5.61620043    -17.36160032
  H     17.71426541      7.37517678    -13.24430334
  H     13.56109578      3.42684091    -12.70966008
  O     11.38180566      8.48404811    -12.98656454
  H     14.88719659      7.41675815     -9.46995163
  H     14.21038969      4.54470831    -13.55213423
  O     16.36873058      4.98872788    -11.39732182
  H     13.48731667      7.30501609    -10.17007980
  H     13.36445547     10.73975605    -11.60232021
  O     13.50112585      7.54200991    -14.58547192
  H     14.23585020      8.76035680    -15.70812787
  H     13.97317229      9.77993206    -12.64043953
  O     14.88124638      5.22514030    -15.06266710
  H     14.19955271     10.29107062    -15.95113499
  H     16.78018174      5.98693654     -8.44092423
  O     17.43149848      5.71371000    -13.92031108
  H     13.73395235     12.53370232    -14.99073439
  H     16.48455114      5.94127847     -9.95886418
  O     14.98835827      8.31881700    -12.46949968
  H     13.23243572     11.32133372    -14.19235294
  H     19.82106539      5.75368418    -16.54771316
  O     13.88201613     10.72464321     -9.91189236
  H     16.15755831      6.48320633    -17.75608748
  H     18.84966877      6.95157341    -16.41730811
  O     13.87768616      4.32655980    -12.66588039
  H     17.23972833      5.61684791    -17.09204882
  H     17.37508955      8.11251466     -9.75012348
  O     13.33771563     10.50736846    -12.54401486
  H     10.47978428      8.79559646    -13.00786371
  H     17.88852521      8.67846761    -11.09194027
  O     16.49094681      6.52092605     -9.17574598
  H     11.93354351      9.25185468    -12.77343998
  H     15.48504212      8.77642006    -17.59660455
  O     18.94743943      5.99608063    -16.25360341
  H     15.50000530      4.71781873    -11.71665523
  H     15.72865455      8.66829050    -19.11914165
  O     17.73062383      8.90656816    -10.16460922
  H     16.89219045      5.16871069    -12.18826830
  H     15.13040405     11.51888980    -12.77399665
  O     16.01616549      8.32742325    -18.27591080
  H     12.61745105      7.74874571    -14.26338729
  H     16.37527205     11.70223373    -11.91206362
  O     16.06086258     11.75470566    -12.82482629
  H     14.09532791      7.71386368    -13.83442311
  H     18.15754423      9.22970607    -16.10337941
  O     18.43744631      8.60579541    -16.78518680
  H     14.32769477      6.01761461    -15.00451926
  H     17.70522368      8.56342161    -17.41352140
          69
 Energy    -248.61450461309144     
  O     -8.22804810     -2.01757776      5.64661218
  H     -8.65489289     -1.16380677      5.78325200
  H     -7.09981789      0.47599540      3.97463081
  O     -9.84312407     -0.98583212      2.48147003
  H     -7.30428146     -1.91352184      5.90730165
  H     -4.96041754     -1.55946681      5.37918883
  O     -8.63224483     -3.39393283      3.35509257
  H     -9.65853072     -1.89415723      2.74432194
  H     -4.87349784     -1.96028879      6.87310930
  O     -5.30037318      1.07834832      0.15414661
  H     -9.08345025     -0.47246568      2.79519642
  H     -0.88184672      3.07690654      1.89633274
  O     -6.50653691      0.96734419      5.77184281
  H     -8.94107379     -4.27658983      3.53914984
  H     -2.18909073      3.61765063      2.52572179
  O     -5.11772604      5.58645318      1.68344570
  H     -8.50501508     -2.95364402      4.21611403
  H     -9.40121604      2.17237459      4.75568116
  O    -10.03435202      1.98072198     -0.26344361
  H     -5.58489441      0.22169298     -0.18168375
  H     -8.74020154      3.30571428      3.92280733
  O     -4.26546765     -1.44299330      3.82150342
  H     -6.11057847      1.53044729      0.43852805
  H    -10.63596403      2.06626570      2.82695199
  O     -4.00112754      3.61708450      0.14291417
  H     -5.87874786      1.61034991      5.41453177
  H    -10.89320607      0.61790288      2.34634860
  O     -6.53872975     -1.41422661     -0.53009241
  H     -6.02390986      0.16824248      6.01842168
  H     -7.12007554     -2.71209402      2.44737343
  O     -3.74530229      0.97345049      2.47887842
  H     -4.77866184      4.90314522      1.07787026
  H     -6.41175974     -2.04437736      1.21358970
  O     -7.40456648      0.25264338      3.08942376
  H     -5.18075112      6.39222107      1.17735889
  H     -9.44067465     -0.89942728      0.65335130
  O     -5.44491828     -1.55742896      6.22566846
  H    -10.55392269      2.56760142     -0.80438803
  H     -9.45543672      0.17872370     -0.43885526
  O     -1.82809102      2.96402028      1.89999179
  H    -10.51435333      1.87031181      0.57946639
  H     -9.49835906      0.99711256      6.94112866
  O     -9.56733478      2.83711478      4.07752202
  H     -4.89467337     -1.84216673      3.20439789
  H     -8.19935844      0.90867030      6.10311144
  O    -11.09628512      1.54175152      2.15446350
  H     -3.96886556     -0.62430252      3.40340592
  H     -3.69230881      4.05318037      4.04277583
  O     -6.35794501     -2.18939444      2.16684011
  H     -3.17391104      3.40756374      0.59458254
  H     -3.75357396      5.16499594      2.98834887
  O     -9.12061669     -0.70324795     -0.23720917
  H     -4.42522504      2.76729213     -0.02888965
  H     -4.58300304      2.06989836      3.69509704
  O     -9.15773728      0.73362047      6.08889192
  H     -6.43525139     -1.92497299     -1.32857107
  H     -5.70048603      3.14000278      3.92585318
  O     -3.14026741      4.67952187      3.55449686
  H     -7.47652400     -1.15098059     -0.48374858
  H     -8.42705194      2.15635427      0.62410162
  O     -4.96052084      2.67712773      4.34761093
  H     -4.28177424      0.95317116      1.67377361
  H     -7.64753467      1.48562848      1.81013164
  O     -7.60424930      2.17343042      1.12651342
  H     -2.97838919      1.52795832      2.28812910
  H     -7.27471630      3.42935289      2.33316509
  O     -7.03425611      4.01387400      3.06905780
  H     -6.93571363     -0.54599214      2.81215333
  H     -6.48634900      4.70454643      2.67575995
          69
 Energy    -248.61446416206479     
  O     14.41802992     10.07339324    -10.78379157
  H     14.20109901     10.59982220    -11.56251052
  H     13.16003254      8.95996504    -10.04162875
  O     13.30295574      9.97503189    -16.70788577
  H     14.87927364      9.28856983    -11.12355978
  H     18.49294625      7.67662102    -14.91480788
  O     16.81163982     10.69875632    -13.85824074
  H     13.06851204      9.43712522    -15.94066536
  H     19.96991120      7.21626639    -14.95354647
  O     13.43609096      5.25178629    -12.68037588
  H     13.25816056     10.89340053    -16.41335915
  H     13.37775131     13.50132474    -15.86147041
  O     16.92200738      7.62035250     -8.51645991
  H     15.88620143     10.79833350    -13.59338894
  H     14.60074142     12.55128161    -15.90321622
  O     16.26715315     12.09753345    -16.25993043
  H     17.36004069     10.83000648    -13.07593053
  H     13.76292710      7.93753686    -14.35350474
  O     15.73277739      7.85732996    -11.78148568
  H     14.01525028      5.56265098    -13.38508211
  H     12.43241007      8.19448291    -13.61145730
  O     14.07218713     11.00972539    -13.37184406
  H     13.99687793      5.15977447    -11.89567090
  H     14.87171441      9.72376524    -17.42524312
  O     18.55468984      8.10332886    -11.79386520
  H     17.32385042      6.88242081     -8.98374674
  H     15.74694689      9.51362344    -18.68425084
  O     18.41868086     10.89397279    -11.54352870
  H     16.02562023      7.33631915     -8.29542262
  H     10.69902445      6.84750363    -12.32868286
  O     17.56731832      5.07774463    -13.34692252
  H     16.61139593     11.73193076    -15.43350788
  H     12.18879596      6.43274532    -12.39221663
  O     12.64818531      8.18217254     -9.77817930
  H     16.23180669     11.35736674    -16.87811979
  H     13.61207381      7.23903382     -8.69088411
  O     19.18711571      7.22215598    -14.40862174
  H     16.69256166      7.95950878    -11.73203567
  H     13.78579795      6.48403890     -7.35016278
  O     13.66259384     12.61690092    -15.64939527
  H     15.49596355      7.08347224    -11.25302463
  H     16.08946206      5.34117421    -10.41451241
  O     13.03704597      8.56835290    -14.26477208
  H     13.83820471     11.66192794    -14.04260235
  H     14.79506217      5.70828819     -9.61847386
  O     15.79069615      9.66580250    -17.74422606
  H     13.68534862     10.16762472    -13.65330735
  H     18.27245187      6.51838827    -10.82513882
  O     11.58755351      7.19006122    -12.27106360
  H     18.66315578      9.05717666    -11.69869694
  H     17.81473787      5.23065005    -11.47953907
  O     14.22569238      6.68940523     -8.17030372
  H     18.86945304      7.85642338    -12.67276833
  H     15.41248802      7.19653892    -13.36590515
  O     15.12686435      5.41450937    -10.47715143
  H     17.87693990     10.72825439    -10.74839161
  H     15.86478599      7.29938024    -14.83968771
  O     17.89303308      5.65445264    -10.61115342
  H     19.05991748     11.55793350    -11.30664041
  H     15.96369984     10.34055463     -9.76185970
  O     15.27433932      6.81389517    -14.24983967
  H     18.22959164      5.65553627    -13.74638479
  H     16.96169556      9.38168232     -9.06896619
  O     16.87690562     10.26493047     -9.45532786
  H     16.72752120      5.40784700    -13.68047712
  H     16.70279621      8.83949090    -16.38211203
  O     17.06539162      8.53078959    -15.54271402
  H     12.22757966      7.85796855    -10.58231092
  H     16.99795700      9.26981365    -14.91767685
          69
 Energy    -248.61437488871553     
  O     11.97605259      9.29865016    -10.72439746
  H     12.27196853      8.66118823    -10.06540832
  H     15.34717083      6.72872966    -15.33286657
  O     14.26189005      3.85661637    -14.48303145
  H     12.70247187      9.92302187    -10.85001250
  H     15.32019461      4.50913536    -11.68187515
  O     14.12549435     11.81743636    -13.97370082
  H     14.04073835      2.97225799    -14.76116388
  H     16.64549162      4.51355659    -12.47341604
  O     15.44232742      8.47050308     -8.54115473
  H     14.83494579      3.77455904    -13.69924566
  H     13.84753032      7.77743655     -8.65812562
  O     18.09039839      9.74342306    -10.58585833
  H     13.41052466     11.29180206    -14.35133518
  H     12.58621428      7.10965547     -8.05585407
  O     11.16455477      8.38055817    -13.16881517
  H     14.08305535     11.68073133    -13.01793278
  H     20.38637972      7.89488800    -14.60281134
  O     16.61080325     11.86479410    -15.05107953
  H     15.61904525      9.41197552     -8.65920269
  H     18.99159657      7.79401332    -15.27131306
  O     14.23889863     10.89506158    -11.32020437
  H     16.02325839      8.01517392     -9.16105391
  H     11.72284487      9.48045105    -14.35943429
  O     16.68319317      7.16560749    -10.82224516
  H     17.80398423      8.82363655    -10.59058898
  H     11.50460784     10.24166808    -15.69122901
  O     17.98294013      7.46655893    -16.61778746
  H     18.19137226      9.99098110    -11.51589114
  H     13.23559191      5.32177488    -13.83385693
  O     17.70219526      6.10003664    -13.15098065
  H     11.54148898      7.49523213    -13.19966832
  H     13.37382726      6.85359076    -13.96965120
  O     15.93798431      5.96348107    -15.34796655
  H     11.35931864      8.72309005    -12.28181716
  H     14.73755513      8.50075873    -14.17685951
  O     15.86016495      3.98556622    -12.28980815
  H     16.78862934     12.74156939    -15.38124919
  H     13.52527701      8.79994471    -15.11536389
  O     13.00707297      7.33819019     -8.88041472
  H     15.71593630     11.88760159    -14.66592778
  H     13.74767867      6.05328683    -11.76769506
  O     19.45197115      7.97244029    -14.43015271
  H     14.82814710     11.11291547    -10.58855382
  H     13.72345370      6.28279053    -10.22880329
  O     12.16820963     10.00968368    -15.04742422
  H     14.67682555     10.18562685    -11.81427516
  H     16.92237917     10.71895178     -9.71331445
  O     12.97327409      6.15892164    -13.43094818
  H     15.83592460      6.69421051    -10.77786072
  H     16.52176793     11.82620266     -8.70788056
  O     14.27043198      8.20070605    -14.97485563
  H     17.16499673      6.77371547    -11.56617825
  H     15.86919699      8.29677201    -12.06121415
  O     14.24496030      5.90931710    -10.95018286
  H     17.35859396      6.77676860    -16.36098251
  H     16.43422573      9.38435953    -12.99933301
  O     16.16758038     11.13097812     -9.25578180
  H     17.44026146      8.25209086    -16.78538533
  H     17.68984840     10.78254747    -13.99151478
  O     15.61849560      8.93195579    -12.74116151
  H     17.06886114      6.05631245    -13.88237040
  H     18.55778399      9.47910094    -13.80887134
  O     18.02989799     10.14586097    -13.34971240
  H     18.42515520      6.65033942    -13.47433671
  H     16.35436547     10.40244532    -16.23501217
  O     16.19012965      9.57085006    -16.69548469
  H     15.38409192      5.18413189    -15.22102764
  H     15.46432829      9.15169244    -16.22026756
          69
 Energy    -248.61423919123752     
  O      9.77016546      7.27054759    -10.38628182
  H      8.92417299      7.65045432    -10.12115838
  H     11.81192041      4.74502863    -10.66777761
  O     11.72823526      8.50718574     -8.91721448
  H     10.45964705      7.71600334     -9.87332920
  H     13.83283351      3.46385659     -8.04406778
  O     12.88854399      8.72979958    -12.90950306
  H     11.83275170      8.01775709     -8.08838171
  H     13.76252664      2.49550684     -6.83996771
  O      9.44540620      8.20787411     -5.54945363
  H     12.45478785      8.23789391     -9.49403471
  H     11.70373489      4.01368741     -7.16774350
  O      6.19499819      8.07204114    -12.07867558
  H     13.63843679      9.01984290    -13.42262111
  H     10.61853076      4.47372852     -8.18412936
  O      6.48655556      6.02560008     -8.41213228
  H     13.25389275      8.31729378    -12.11112127
  H      9.66203279      4.12274139    -10.55798760
  O     14.55827858      3.91497036     -9.56508486
  H      9.23361664      8.74438844     -4.79078406
  H      9.95970988      5.54620331    -10.03243130
  O     13.64987399      7.36608743    -10.61379462
  H      9.35082370      8.77763464     -6.33424962
  H      8.83911595      8.05955250    -13.81325458
  O     10.36947756      7.61701836    -13.07070924
  H      5.34434805      8.38412972    -12.37653623
  H      7.99411417      8.20777634    -15.08917759
  O      6.74364638      5.38647666    -11.18828873
  H      6.80528983      8.17058334    -12.83020917
  H      9.22483578      5.20882543     -6.70722117
  O     15.71085982      6.48514663     -8.93008042
  H      5.66881656      5.81626644     -7.96801065
  H      8.72221765      6.56091724     -6.15031587
  O     12.56212590      4.88694475    -11.26018422
  H      7.19712208      5.87274473     -7.76397618
  H     11.48197314      6.17050394     -6.80498057
  O     13.44348986      3.33488437     -7.16034491
  H     13.91707357      4.13148676    -10.25628184
  H     11.09687497      7.47273948     -6.05749165
  O     10.88774941      4.52133073     -7.25363475
  H     15.08494894      4.71288593     -9.43732997
  H      6.93695700      8.46959185    -10.40590531
  O     10.14912517      4.60674868     -9.88072142
  H     14.42558406      7.16221793    -10.07709190
  H      7.00314666      7.67511950     -9.07770155
  O      7.94465382      8.25720899    -14.13842019
  H     13.26004210      6.51703372    -10.87166574
  H     10.13692063      4.43715529    -13.11205523
  O      8.43197484      5.74306413     -6.57268960
  H     10.15452464      7.48644429    -12.13570315
  H     10.71884485      5.81567902    -13.47079563
  O     11.80824487      7.04694796     -6.55020834
  H     11.22447915      8.06783608    -13.10509796
  H      8.24624178      2.86142624    -12.31973794
  O      7.37328657      8.43738776     -9.54470174
  H      6.67332332      5.49524794    -10.23161900
  H      7.94622206      4.29187751    -11.81731768
  O     10.91925257      4.86969864    -13.47497888
  H      6.52380210      6.24488420    -11.56785378
  H      8.61001715      9.37167194     -8.44672234
  O      8.66229763      3.68304334    -12.07241196
  H     15.27880610      6.37421042     -8.06379042
  H     10.15053107      9.47602307     -8.29417859
  O      9.31345061      9.64295478     -7.84259942
  H     16.61570092      6.72931964     -8.75632190
  H     14.14033704      5.06728562     -6.64230062
  O     14.39688997      5.99712162     -6.61084361
  H     12.18312594      4.83629354    -12.14848097
  H     13.57466322      6.48766073     -6.47619150
          69
 Energy    -248.61412481133314     
  O     -2.23988535      4.55018518      3.59201097
  H     -1.98340618      4.49122078      2.66618769
  H     -0.71681961      2.78627303     -0.46957309
  O      1.42574803      1.15550586      0.74857008
  H     -1.81391734      3.79320116      4.01873095
  H     -5.02208388      5.18909830      5.01089813
  O     -1.77096234     -0.10240784      3.39800109
  H      0.99111488      1.50805829     -0.03616626
  H     -3.86244304      4.56086178      4.19901682
  O     -4.32867810      0.17876857     -0.18733770
  H      0.96867603      0.32544813      0.94826285
  H     -5.48439666      3.40865462      3.15719121
  O     -2.37701355     -3.01632002     -0.91052398
  H     -2.38435210     -0.79755405      3.66773533
  H     -6.02877305      1.99046340      2.77296732
  O     -0.23923402     -0.99814077      1.28979023
  H     -2.29031842      0.53876936      2.88617452
  H     -0.44550035      3.31583676      1.69780372
  O     -5.05259639     -0.25506748      5.76873885
  H     -4.76781191      1.00150058     -0.44898732
  H     -1.89325942      2.82823539      1.38472646
  O     -6.48232819      0.39205910      3.35995748
  H     -3.47816777      0.08928054     -0.63760587
  H     -6.45606383      2.95649879     -0.74705701
  O     -1.70005507     -0.21018792     -0.96080900
  H     -1.65845130     -3.31566682     -0.33853396
  H     -5.71450937      2.76177492      0.58417105
  O     -5.33823365     -1.57700847      1.65730487
  H     -2.18196395     -2.09647967     -1.12293770
  H     -4.31329345     -1.79102179      3.14517803
  O     -2.74863754     -4.18906282      2.59809313
  H     -0.22204973     -1.96276021      1.27902117
  H     -4.20595909     -1.47767316      4.66065025
  O     -0.37757961      2.28687815     -1.23159392
  H     -0.72037155     -0.72268873      2.08337831
  H      1.27712256      2.23124860      2.11223167
  O     -4.74865586      4.39054629      4.56777954
  H     -4.51936111      0.55863363      5.80952503
  H      1.81733948      3.44542620      2.90280667
  O     -5.64502989      2.80984339      2.41918716
  H     -5.41285753     -0.39025745      6.64112487
  H     -0.17593401      2.46625061      4.17750958
  O     -1.20847955      3.46418492      1.12261614
  H     -6.09742464      0.16268914      4.21424728
  H     -1.20393919      1.34128844      4.32916022
  O     -5.66160773      2.58709039     -0.36950869
  H     -6.25002826     -0.32823066      2.75953174
  H     -4.06350027      2.84214047      5.46817485
  O     -3.77007674     -1.94054102      3.93428477
  H     -1.22442216     -0.49480480     -0.16562576
  H     -2.69372813      2.13473236      5.57221300
  O      1.04723023      2.89467839      2.78713724
  H     -1.28046810      0.61511145     -1.23027904
  H     -3.84538038     -3.61520271     -0.13886892
  O     -0.98109239      2.22699421      4.65382879
  H     -5.24664499     -2.44949438      1.25619049
  H     -5.01706144     -4.62477152     -0.14033548
  O     -3.62575372      2.05105502      5.80473373
  H     -5.01818870     -0.94989492      0.99099660
  H     -1.26619672     -3.95515603      1.72770075
  O     -4.57307274     -3.97592013      0.39883423
  H     -3.43610549     -4.25645936      1.92329070
  H      0.08621556     -4.50860507      1.21488215
  O     -0.51177607     -3.77035659      1.13918245
  H     -3.04452210     -3.50026660      3.20820183
  H     -3.48675503      1.09804226      1.13678817
  O     -3.17498553      1.65638796      1.86081417
  H     -0.25785636      2.91569320     -1.93873557
  H     -3.95728899      2.11643854      2.19055015
          69
 Ord_Energy   -248.614014    
 O   -3.14609456       5.81958914       6.92092085    
 H   -4.06610441       6.10644960       6.86857843    
 H   -2.99059319       5.51893234       7.82836056    
 O   -3.46051788      0.351032555       7.99183226    
 H   -3.80234599     -0.368931651       8.51553345    
 H   -4.20471478      0.951568723       7.81385326    
 O    2.22723699       3.60569191       7.84442329    
 H    1.48382497       3.34655952       7.27218962    
 H    3.01092792       3.21007967       7.47240925    
 O   -2.77079916      0.758027911       5.25885439    
 H   -2.92064834      0.406170517       6.14283705    
 H   -2.91584253       1.71589661       5.32540321    
 O   -1.55756831       2.37607932       8.58169460    
 H   -1.07439625       2.55845356       7.76248503    
 H   -2.13193274       1.61875832       8.42517090    
 O   -4.88328981      0.857932329       3.36222339    
 H   -4.18064690      0.660269499       3.99478292    
 H   -5.61565256       1.21751118       3.87522388    
 O   -6.47548771       4.86486578       4.68412161    
 H   -5.73976135       4.92176056       4.05818748    
 H   -6.72313499       3.93420482       4.72495508    
 O   -1.36777067       5.61627007       3.04467225    
 H   -1.07875156       5.67355728       3.97139502    
 H   -1.14511824       6.45220947       2.64118671    
 O  -0.715446055       5.76410151       5.68837261    
 H   -1.58684194       5.89726448       6.09092045    
 H   -6.23512603E-02   6.03287077       6.35119390    
 O   -5.30924082       2.25123429       7.27343512    
 H   -4.70029211       2.66447973       6.64183760    
 H   -5.48991632       2.91435695       7.95614481    
 O  -0.286256433       1.45865810       4.21238804    
 H  -0.490123212       1.92510390       3.39277339    
 H   -1.10767365       1.02875936       4.48987961    
 O  -0.330315769       5.83724499       10.3744535    
 H    4.34645601E-02   4.93741941       10.3991766    
 H   -7.92592615E-02   6.26240778       11.1902714    
 O   -2.74349380       4.74365473       9.41655827    
 H   -2.01864076       5.22389603       9.83508205    
 H   -2.38670230       3.87956882       9.16109848    
 O   -3.48140144       3.41790128       5.54121256    
 H   -3.29279947       4.19833374       6.07676554    
 H   -3.76951241       3.75356436       4.68213749    
 O   -1.84060801E-02   3.09604430       6.36181355    
 H  -0.303620070       3.97127962       6.07223034    
 H   -4.65828702E-02   2.50138164       5.59759665    
 O   -3.82021999       2.62601137       1.51738489    
 H   -4.19761419       1.92061126       2.06588435    
 H   -2.86223483       2.55961823       1.59290969    
 O   0.609363973       3.29665017       10.1594343    
 H  -0.130139455       2.82522345       9.75244904    
 H    1.29813290       3.32963133       9.48285389    
 O   -4.13072777       4.74909925       3.17032290    
 H   -4.12663126       4.04159307       2.50469041    
 H   -3.27712703       5.18930340       3.11031127    
 O   -5.54115391       4.34897327       8.99761868    
 H   -4.64534426       4.52368546       9.31509781    
 H   -5.75291395       5.06179380       8.38115978    
 O   -5.90215874       6.28954935       6.90568352    
 H   -6.44134855       7.07564735       6.91642714    
 H   -6.15970802       5.78436422       6.11341476    
 O   0.972237349       6.19140291       7.80675173    
 H   0.512985528       6.21348810       8.65488911    
 H    1.55424607       5.42231035       7.84834671    
 O   -6.93808174       2.04022670       5.05507994    
 H   -6.47995853       2.03043294       5.91119909    
 H   -7.78514004       1.62172532       5.19137573    
 O  -0.967822850       3.04460931       1.94901657    
 H  -0.417744428       3.12710428       1.17241514    
 H   -1.07694674       3.93896008       2.30663562    
          69
 Energy    -248.61399489865303     
  O     10.41793296      9.84425944    -12.60433527
  H     11.10489185     10.44153142    -12.92501836
  H     19.54882981      6.62105990    -15.39275259
  O     14.24213923      7.19261143    -15.21465712
  H     10.14080885      9.32123175    -13.36727146
  H     15.58645771     12.15581026    -14.88584735
  O     16.53243968     10.56286073     -9.79626474
  H     14.00257558      6.69041765    -14.42299325
  H     14.85620588     13.43663024    -15.34941220
  O     18.47522814      9.82194981    -16.26224563
  H     13.51926402      7.80412924    -15.40816601
  H     15.18977951      8.46360768    -14.32798328
  O     12.35100615      9.18347383    -15.58246980
  H     16.50811218      9.58967672     -9.75043171
  H     16.09489661      9.74695910    -14.15242392
  O     13.73254409      5.92511337    -12.80779822
  H     16.66641350     10.87973419     -8.90738955
  H     10.14855690      8.05387416     -9.99295916
  O     14.40533396     10.31001969    -11.63661392
  H     17.87858091      9.60757122    -16.99165768
  H     10.66874543      8.69891386    -11.29959063
  O     16.49885285      9.13701300    -18.18422874
  H     18.71593217      8.98189567    -15.85531098
  H     16.88792050      8.04849887    -12.92443873
  O     16.32007578      5.01042671    -12.41687470
  H     11.48586540      8.78149285    -15.43626763
  H     18.20222435      7.37201921    -13.36025111
  O     17.06515071     11.30056357    -14.47415456
  H     12.47446083      9.84013125    -14.88223585
  H     10.82072950      6.67722405    -12.10534656
  O     16.63795430      6.81149486    -16.56687651
  H     14.56793465      5.45129510    -12.69883701
  H     11.86269609      5.94776192    -12.97297495
  O     18.84821098      7.18108596    -15.06881779
  H     13.70416599      6.58508115    -12.10003774
  H     17.72192775     10.61542686    -11.27466778
  O     14.72399058     12.50989127    -15.16563914
  H     14.87802772      9.86169660    -12.35836163
  H     18.28353709      9.50989379    -12.17933161
  O     15.64520257      9.02748331    -13.69114591
  H     15.06784785     10.57758474    -10.98949291
  H     15.43946282      7.65576686    -10.17163996
  O     10.81413829      7.96949524    -10.67025996
  H     16.46769884      9.25141723    -19.13014952
  H     16.85928319      7.61600588    -10.79456450
  O     17.64119461      7.53461506    -12.58906715
  H     15.72129767      9.59781435    -17.82180569
  H     13.60781312      9.95703622    -16.73836122
  O     10.93646523      6.22203303    -12.94869734
  H     16.84877560      5.81589219    -12.50061339
  H     14.49004788     11.20210243    -16.54471767
  O     18.20964060     10.46548926    -12.09464766
  H     16.74546247      4.48814037    -11.73963425
  H     12.66436613      7.79561659    -10.56681504
  O     16.36940343      7.85683224     -9.99951135
  H     17.50542901     11.16500803    -13.62281623
  H     13.81975613      8.70315834    -11.03328327
  O     14.37368131     10.42187088    -17.09901364
  H     17.62408963     10.89379023    -15.15426097
  H     13.29560646     11.75039255    -14.15490920
  O     13.61306672      7.80218216    -10.74559100
  H     16.58818330      7.51951781    -17.22149343
  H     13.23811523     10.93905673    -12.84764964
  O     12.71971808     11.18169223    -13.62950742
  H     15.77351729      6.80067368    -16.13357239
  H      9.17871577      7.65700427    -15.17215733
  O      9.96498945      7.99533472    -14.75312134
  H     18.05398830      6.96886083    -15.59448706
  H     10.29727737      7.29252223    -14.16547751
          69
 Energy    -248.61347182971338     
  O     12.76224152     12.79135733    -13.12128336
  H     12.47891202     13.69649772    -13.01715721
  H     19.16696595     11.40102977    -17.32104496
  O     18.34122516      8.26997894    -12.49929924
  H     13.57983343     12.81285405    -13.64555538
  H     13.14903803      9.69848700    -17.21391804
  O     15.93490529     10.50693213    -11.33951471
  H     18.24907513      8.41801205    -13.45281567
  H     12.16304088     10.51930458    -16.32573410
  O     11.39751073     10.77840140    -14.70026086
  H     18.59546491      9.13655798    -12.16036120
  H     16.38226739      9.66599709    -14.45452537
  O     13.67195229      8.10976068    -14.45284553
  H     15.98590552      9.56611724    -11.10932719
  H     15.72666948     10.16360768    -13.12569736
  O     14.48817155      6.23410520    -12.61183069
  H     16.84098741     10.83334149    -11.39790026
  H     13.54707095     11.95133326    -17.33606940
  O     15.02070362     12.62686260    -14.70645549
  H     11.26038790     10.07816948    -14.05090490
  H     13.82084969     13.31514851    -18.01890530
  O     16.89556053      6.65805479    -16.49376688
  H     11.77576927     11.51513535    -14.20648751
  H     13.36728828      9.22536556     -9.98090523
  O     16.08243402      7.80362611    -10.91935945
  H     12.88106467      8.35787111    -13.95850788
  H     14.48969306      8.17352338     -9.83216491
  O     16.13299426     10.67485176    -17.65887965
  H     14.31798191      8.82122921    -14.31437339
  H     18.27085564      9.62429924    -15.68679166
  O     16.97390716      5.88651117    -13.87332454
  H     14.23292303      6.83475650    -13.32944670
  H     17.63394767      8.19436390    -15.73985060
  O     18.55141468     11.16942199    -16.63161774
  H     13.69295654      6.10729897    -12.08210541
  H     18.16620596     12.11314444    -15.02533640
  O     12.64739527     10.51804242    -17.16557971
  H     15.16821095     11.67542867    -14.58405019
  H     16.93498573     12.69804078    -14.30989531
  O     15.56765833     10.00968809    -14.06606538
  H     14.75815796     12.75316209    -15.62761217
  H     19.26277088     11.63189305    -11.46386724
  O     14.17106923     12.70135527    -17.38010354
  H     17.30360098      5.99395700    -17.04360996
  H     18.38040507     11.61320448    -12.73181337
  O     13.56493261      8.35196452     -9.61973693
  H     16.88187812      6.29850278    -15.58863357
  H     12.93706841     11.48405683    -11.76921573
  O     17.91487370      8.90537405    -15.15010740
  H     16.93561801      7.86760636    -11.37186348
  H     14.15979181     10.73261267    -11.22562290
  O     17.86217882     12.46524070    -14.17944835
  H     15.52359257      7.24711509    -11.48018223
  H     11.63780277      8.00467647    -12.15182124
  O     18.59779247     11.12203104    -11.91929231
  H     15.61720103      9.88302882    -17.45997717
  H     12.17660718      9.45613408    -12.13600195
  O     13.19109574     10.72002754    -11.23678065
  H     15.50738124     11.40895304    -17.67363832
  H     11.57300367      5.96607369    -10.48408926
  O     11.66299637      8.82332606    -12.66003933
  H     17.54856693      6.41781787    -13.31529466
  H     12.59634890      7.12606996    -10.42462601
  O     12.13493911      6.51364690    -11.02569287
  H     16.12529211      5.83326770    -13.41185683
  H     14.18210867      8.19342156    -16.16614820
  O     14.62243700      8.33651863    -17.01791492
  H     17.68623759     11.02138722    -17.05904780
  H     15.34560918      7.69865639    -17.02257316
          69
 Energy    -248.61323733014103     
  O     13.75167282      6.99635556    -14.35044845
  H     13.96056264      6.34166178    -15.02736427
  H     16.41617424      5.53027531    -15.94770588
  O     17.55064688     11.90952284    -12.06566712
  H     14.48344211      7.63268421    -14.32401422
  H     15.08386478     12.37250440    -17.39584383
  O     17.56070402      7.86662110    -17.69078574
  H     16.63933124     11.57538027    -12.13978701
  H     15.66389640     11.18117906    -16.59868388
  O     12.00336968      9.16649710    -14.58381854
  H     17.48708627     12.82588603    -11.80997578
  H     15.57053858      9.48324498    -13.45533595
  O     16.13578449      8.35335241     -9.80710969
  H     17.54088874      7.14003539    -17.04210445
  H     16.17455658      9.22295486    -14.86175790
  O     13.55418685      6.30744271    -11.72128709
  H     18.21341393      7.63248162    -18.34520164
  H     19.35708972      8.79795708    -11.83413622
  O     15.06927793     10.85516257    -12.35009231
  H     12.54050690      8.36322662    -14.52617755
  H     20.69945607      8.23612947    -12.36743373
  O     14.73978815      7.27796810    -18.05538993
  H     11.50997106      9.21291424    -13.75645451
  H     11.77933453      6.33405075    -11.39738662
  O     16.22360885      5.75593737    -11.07885018
  H     16.16287345      7.44586554    -10.13312648
  H     10.37428638      5.70579169    -11.37719170
  O     17.02751423     10.14395235    -16.19592559
  H     15.24625876      8.67409552     -9.99104880
  H     19.24928179      9.81395310    -13.77851194
  O     14.56797749      5.23087972    -16.34706304
  H     14.42334594      5.98984586    -11.45006473
  H     18.46280768     11.11129842    -13.52674035
  O     17.31453358      5.87383477    -15.86476259
  H     13.59703527      6.47847675    -12.67563446
  H     16.93287050      7.55270403    -13.48841426
  O     14.84972069     11.67988097    -16.78368021
  H     14.55273346     10.27752514    -11.77393418
  H     18.38664251      7.27576343    -13.02455843
  O     15.79841493      8.78879512    -14.08603321
  H     14.46774619     11.22854739    -13.01459388
  H     18.19112968     10.47572171    -10.99942410
  O     19.78453736      8.36750023    -12.59919609
  H     15.64739362      7.59890516    -18.06767435
  H     17.66787154      9.21021850    -10.27694143
  O     10.83258565      6.54075031    -11.33239948
  H     14.17128340      8.02560908    -17.81459005
  H     12.63508851      9.34087461    -16.42506430
  O     18.85447543     10.57135975    -14.22558475
  H     16.70849698      5.01348511    -10.72773815
  H     13.68134296     10.21511207    -17.14283926
  O     17.54114824      6.84854882    -13.21522773
  H     16.72424691      6.08229264    -11.84608261
  H     13.60822332      8.08350237    -11.17660433
  O     18.46552637      9.62573343    -10.63518634
  H     17.29063566      9.40778245    -16.76349060
  H     12.63938712      9.26801784    -11.16209977
  O     13.18071378      9.39376661    -17.21805047
  H     17.74951334     10.33616945    -15.57676582
  H     13.87357872     11.75340134    -15.17334308
  O     13.54248593      9.01771270    -10.93426664
  H     14.18689740      4.45846155    -16.75436077
  H     12.88571361     10.80956321    -14.45265912
  O     13.41246055     11.61230296    -14.33725898
  H     14.58144196      5.93224261    -17.02673149
  H     10.10605552      9.67022482    -11.62821106
  O     10.87087895      9.20119546    -11.95221904
  H     17.44634793      6.09019244    -14.93325990
  H     10.74493891      8.26337703    -11.72501875
          69
 Energy    -248.61317211635469     
  O     10.76655525     10.12848264    -11.85602657
  H     11.48590722     10.63121813    -12.26160681
  H     18.39282939      8.41723931    -16.71009286
  O     13.98012017      7.17227933    -15.05162053
  H     10.37846577      9.59544923    -12.56002464
  H     15.53074063     11.83161181    -15.12386246
  O     17.71243542     10.15999964    -10.44827343
  H     13.97394339      6.77752285    -14.16814372
  H     14.27740287     11.69016127    -16.01114143
  O     18.11144411     10.09430913    -17.54469553
  H     13.29789100      7.85656342    -15.07929314
  H     16.29246329      9.55078965    -14.35457024
  O     12.23686969      9.31896220    -15.05173344
  H     17.48905068      9.23928913    -10.22244691
  H     15.20216420      8.42047225    -14.38461215
  O     14.08799529      7.98345619    -10.31765728
  H     18.13159351     10.53813956     -9.67979908
  H     11.11976599      8.99073569    -10.57999351
  O     14.22158047      6.19332777    -12.44894368
  H     18.56871444     10.51346872    -18.26807002
  H     10.75009702      8.34598301     -9.22146667
  O     15.11226786     10.23730249    -11.55959638
  H     17.22859072      9.84219098    -17.87283278
  H     17.92400813      6.68860203    -12.96455481
  O     15.65662349      9.22521897    -18.23412258
  H     12.54091533      9.93168324    -14.36523819
  H     16.61632446      7.47573725    -13.02333714
  O     17.19272047     10.96665308    -15.03288500
  H     11.39840318      8.94430434    -14.75314372
  H     11.32815554      6.94535956    -11.37907734
  O     15.74397549      6.63632816    -17.05445621
  H     13.16571245      8.09111690    -10.05790913
  H     12.27395344      6.18278713    -12.33190022
  O     18.35169273      7.56762154    -16.25406058
  H     14.37668029      8.82572704    -10.69990098
  H     18.55585132     10.14174019    -12.16937114
  O     14.60707600     12.10591432    -15.20728360
  H     14.13574164      6.80657146    -11.70278028
  H     19.14836166      9.19547358    -13.24019772
  O     15.82506755      8.89282934    -13.82288948
  H     15.17171847      6.04303607    -12.53263016
  H     19.10157276      7.41614345    -14.69968145
  O     11.32525095      8.25455257     -9.97599988
  H     15.34428177      9.76878280    -12.37872596
  H     20.35563691      7.00477394    -13.89327546
  O     17.01234800      6.67219570    -12.65082245
  H     15.94976918     10.42406190    -11.12047330
  H     15.92476353      7.62851915     -9.88041219
  O     11.36210738      6.47625550    -12.22331414
  H     15.61319843      8.31154226    -17.92529425
  H     17.02489417      7.17223667    -10.84966592
  O     18.90520840     10.11312734    -13.06834650
  H     14.84242217      9.65716895    -17.94759208
  H     12.64785984     10.93583116    -17.80653492
  O     19.47662527      7.36219683    -13.80161225
  H     17.86488620     10.79590569    -14.35425949
  H     12.87296940     10.06857477    -16.54928719
  O     16.88323759      7.60681740     -9.99717143
  H     17.58198038     10.75640901    -15.89015471
  H     13.53955802     11.65481592    -13.83362143
  O     13.32610683     10.51377525    -17.28376820
  H     15.58174847      5.77877325    -17.43989971
  H     13.70424981     10.93883533    -12.47773960
  O     13.04845587     11.17811657    -13.14680641
  H     15.08860235      6.75252706    -16.34612589
  H      9.16718651      7.81792874    -14.08449393
  O     10.02057628      8.17603573    -13.85699990
  H     17.50134554      7.17983354    -16.49087803
  H     10.47594913      7.50259657    -13.31947055
          69
 Ord_Energy   -248.613129    
 O   -4.69219589      0.650332928       8.21556282    
 H   -3.75545669      0.412830472       8.20968342    
 H   -4.73784256       1.58602417       8.45006084    
 O   0.409072548       5.65368319       4.92666912    
 H  -0.239041746       6.30635118       5.22912693    
 H   0.498465598       4.99850893       5.62814665    
 O   -4.66354418       3.46462393       8.52313137    
 H   -3.84055877       3.58415556       8.02033806    
 H   -4.60502005       4.03615141       9.28519154    
 O   0.217708334       3.34950233       6.63268805    
 H  -0.715270221       3.55201817       6.79203558    
 H   0.444558620       2.62140036       7.22301674    
 O   -1.65064824       7.35272121       5.67259407    
 H   -2.43529558       6.83183193       5.43637562    
 H   -1.94225943       8.25889874       5.72871351    
 O   -1.09888172      0.174479544       3.39222455    
 H  -0.687445879     -0.654799879       3.66645145    
 H  -0.442886502      0.871152163       3.53738475    
 O   -2.76297307       3.67189908       3.22070217    
 H   -2.69195890       2.92444539       3.82681537    
 H   -1.86852968       3.89456487       2.93240380    
 O  -0.100806817       4.40125418       2.60800815    
 H   0.260088533       4.86767387       1.85947180    
 H   0.103675820       4.93119431       3.40176892    
 O   -2.52618217       3.71491504       6.79885006    
 H   -2.83835459       4.45239353       6.25631332    
 H   -2.62409663       2.91778994       6.25772905    
 O   -5.02999735       2.15804839       2.44535971    
 H   -4.30673027       2.79285073       2.50397825    
 H   -4.61795330       1.29100752       2.31493306    
 O   -6.85140753       2.31031227       4.40857506    
 H   -6.23877287       2.29029131       3.64909554    
 H   -7.73513937       2.31605172       4.05114937    
 O   -2.74916697       1.48226583       5.16234398    
 H   -3.64629793       1.12041283       5.17895889    
 H   -2.21143842      0.944247425       4.56350374    
 O   -3.68120933     -0.273504555       2.32539129    
 H   -2.74074650     -0.135164782       2.49659729    
 H   -3.95499897     -0.962125182       2.94206977    
 O   -3.65951872       5.58269215       5.04525805    
 H   -4.52888155       5.28909016       5.35704994    
 H   -3.41272736       5.02117538       4.29752398    
 O   -4.47043610      -2.00656009       4.50388575    
 H   -4.84186935      -1.20105255       4.90476656    
 H   -5.17433596      -2.65028453       4.47936344    
 O   -5.26826715      0.349737376       5.58331585    
 H   -5.91564465      0.984825194       5.25454760    
 H   -5.19574213      0.432216674       6.54708767    
 O   -2.05977631      -2.27269578       5.99659872    
 H   -2.07958555      -1.56355643       6.65161228    
 H   -2.89533782      -2.23777866       5.51431084    
 O    1.64719260      -1.68841109E-02   5.66953039    
 H    1.22935259     -0.798257709       5.28556204    
 H    1.51559794      0.697883308       5.03366280    
 O   -1.98212206      0.104057662       7.54811430    
 H   -1.09136486      0.358029485       7.81923151    
 H   -2.16702557      0.590960979       6.73440552    
 O   -5.91698837       4.42606211       6.07424212    
 H   -6.28840542       3.71005964       5.54397869    
 H   -5.68723154       4.04994631       6.93126869    
 O   0.690793037      0.914658844       8.01998711    
 H    1.28442967      0.729052842       8.74271202    
 H    1.08845091      0.524115562       7.22024488    
 O   0.144952416      -2.10477424       4.47538280    
 H  -0.624210000      -2.25136805       5.05614138    
 H   0.392615765      -2.95349097       4.11969852    
 O   0.670811534       2.16803408       4.11861706    
 H   0.554285109       2.87308145       3.47049689    
 H   0.503479242       2.57361293       4.98188066    
          69
 Energy    -248.61307428072581     
  O     16.29298073     10.41893150    -16.32114804
  H     17.11369583     10.78135609    -16.69313179
  H     18.87213434     11.15698394     -9.75609197
  O     20.67946472     10.22711129    -15.84119783
  H     15.82557832     10.00658171    -17.04415128
  H     20.83389974     16.85052076    -12.04883956
  O     19.41742113     12.88179655     -9.86473497
  H     20.99194652     10.95678773    -15.28581362
  H     19.31648396     16.57328221    -12.06225440
  O     14.82992273     12.27041804    -11.94272303
  H     20.56085965      9.47531948    -15.24992658
  H     20.86669304     12.35767044    -10.91601251
  O     20.81497884      9.41260154    -11.47245503
  H     18.66524296     13.12195208    -10.42843902
  H     21.51074500     11.06172277    -11.45006599
  O     16.36311988      9.87410051    -11.65369033
  H     19.80330107     13.70719832     -9.54658719
  H     17.01613326      9.44892303    -13.21453938
  O     18.73541399     11.28481368    -17.37551788
  H     14.81915571     12.29483972    -12.91673229
  H     16.97859886      9.58717095    -14.78876240
  O     20.51783502     14.98829101    -14.62689498
  H     13.94130686     12.45958660    -11.65419190
  H     19.09901160     13.23391043    -17.08295444
  O     20.61463627     15.35752547     -9.31129919
  H     20.57392798      8.97331202    -12.29674438
  H     19.71158787     14.45245670    -16.33877309
  O     21.11795197     12.34394401    -14.13575690
  H     19.99810570      9.54021524    -10.97581390
  H     22.61767083     15.67000558    -12.36747009
  O     14.95141868     12.37039990    -14.65450070
  H     17.05649267     10.02534724    -10.99902784
  H     23.19691828     16.83435733    -13.20716230
  O     18.55522569     10.24318766     -9.83910742
  H     15.79773106     10.65583360    -11.65330757
  H     17.64103263     15.33051119    -13.91383561
  O     20.04352785     16.86284689    -11.49518030
  H     19.43589565     10.87343467    -16.83737072
  H     17.89129262     14.93075922    -12.46238354
  O     21.60932579     12.02545664    -11.43759797
  H     19.00446939     11.18930958    -18.28658367
  H     22.17554346     14.81757429    -10.34205508
  O     17.52641182      9.34372870    -14.03389152
  H     19.72218730     15.18110387    -14.11303747
  H     22.56711047     13.60896954    -11.20682745
  O     19.07929128     14.19610365    -17.02292323
  H     21.22972154     15.49960069    -14.22073884
  H     19.94108395      7.27153100    -14.05373487
  O     22.40304934     16.33044481    -13.05092221
  H     20.35369672     15.93257757    -10.05343115
  H     19.07323621      8.55136384    -13.97617543
  O     18.15059599     15.57977866    -13.13127763
  H     20.66932530     15.91436027     -8.53923736
  H     18.12912540     11.11686375    -13.85897553
  O     22.77469638     14.53924480    -11.04517370
  H     21.37736181     12.25712140    -13.20821824
  H     19.33367523     12.10054768    -13.91537903
  O     19.98681477      8.21697238    -13.93516715
  H     21.01594545     13.28521878    -14.33136994
  H     17.58183701     14.27168763    -15.97265269
  O     18.37831426     12.04450697    -13.78450849
  H     15.28026077     11.65416719    -15.20849612
  H     17.45919734     13.36978712    -14.73354195
  O     17.02740375     14.10320459    -15.19874602
  H     15.49716183     13.13328433    -14.89556838
  H     16.45898991     13.11788016    -11.58191616
  O     17.38966752     13.36734517    -11.61192107
  H     18.55315112      9.87865211     -8.95623114
  H     17.77751894     12.85471561    -12.34047465
          69
 Energy    -248.61294547576236     
  O     12.19203304     10.51573298    -14.49614396
  H     12.76648742     11.21088958    -14.83325437
  H     16.92342727     10.79969039    -16.60268298
  O     16.43398414      6.76845071    -12.99452706
  H     12.36699350      9.73527740    -15.04289194
  H     15.72404558      8.18032000    -13.92640678
  O     17.81835875     10.96350582    -11.86754093
  H     15.91156559      6.54505708    -12.21472334
  H     14.52484577      8.65885679    -14.79751199
  O     18.73334440     10.96118305    -16.54540201
  H     17.22428292      7.22552431    -12.67621408
  H     11.03305577      9.77285204    -11.68031920
  O     12.81858898      5.70850964    -14.67735385
  H     17.03704941     11.19717144    -12.39073961
  H     12.01748320      9.97174156    -12.85275098
  O     15.43928995     11.39819060    -13.19214071
  H     17.52852333     10.97632729    -10.94741292
  H     17.64082544      7.94161209    -10.30691026
  O     16.87153260      6.53480961    -17.35052829
  H     19.05583614     11.05121923    -15.63078198
  H     16.79669551      8.86517486     -9.40928462
  O     15.01858927      6.33304231    -10.57792516
  H     19.33245258     11.45710352    -17.09694785
  H     12.53442915      7.84358475    -12.14402064
  O     18.92845430      8.10709929    -16.17597511
  H     12.11268341      5.06817858    -14.69225127
  H     13.52882532      6.77800413    -11.62087556
  O     15.59669053      5.40443815    -15.26067875
  H     12.80785540      6.11891565    -13.79275780
  H     20.07724568     10.10921813    -13.91463388
  O     20.45382573      8.21773699    -13.95369845
  H     15.04028380     11.95655124    -13.86712125
  H     19.12090980     11.10913810    -13.22868440
  O     15.98348649     10.58829481    -16.54312075
  H     15.37002346     10.48906485    -13.52668799
  H     18.27296387      9.18137573    -11.96165935
  O     15.35484911      8.94031589    -14.39036578
  H     17.11600348      5.84540079    -17.96297899
  H     19.26802822      8.15092434    -12.55639659
  O     11.93137107      9.60521753    -11.95435542
  H     16.40970862      6.09846020    -16.61178541
  H     16.44146179     11.27989651     -8.58832423
  O     16.97029250      7.93718104     -9.61079362
  H     15.02956492      5.52745849    -10.06696027
  H     15.61376379     10.75475045     -9.78621164
  O     12.84118396      6.93860041    -12.27818199
  H     15.66046812      6.93281294    -10.15849402
  H     15.21361934      9.25777233    -17.67011804
  O     19.68127804     10.98506765    -14.00530631
  H     18.21985696      7.59046825    -16.57730936
  H     15.50959094      7.75862145    -17.82330381
  O     18.52512721      8.24698393    -11.94774792
  H     18.80304136      9.02302434    -16.44971348
  H     14.57953794     11.16018717    -11.59855897
  O     16.48819911     10.71698161     -9.35610842
  H     14.64247478      5.41208590    -15.12210993
  H     13.39258499     10.38898392    -11.01632826
  O     14.81509936      8.41978835    -17.93913314
  H     15.98154575      5.77955377    -14.45580535
  H     14.02981739     13.14965913    -16.06678163
  O     14.19322519     10.86075099    -10.76310717
  H     21.28695642      7.78321584    -14.11228235
  H     14.79296675     11.80732957    -15.98974457
  O     14.17130807     12.38522024    -15.51482807
  H     19.91124296      8.09080590    -14.75382199
  H     13.55893499      8.24084953    -16.66261191
  O     13.04580421      8.25162415    -15.84061995
  H     15.88591963      9.95405140    -15.81572439
  H     12.88675500      7.34029312    -15.56797204
          69
 Energy    -248.61277546856664     
  O     -4.10109273     -0.35816630      3.51507792
  H     -3.81944623      0.53155254      3.76464437
  H     -6.06857109     -2.81433934      1.95707090
  O     -0.37725807      4.24686814      1.33678971
  H     -3.30463221     -0.79992384      3.18763732
  H     -3.78716135      1.38378855      0.07291012
  O     -1.69346047     -1.21413382      2.46162175
  H     -1.34020803      4.20618414      1.43769310
  H     -3.42060492      1.94515506     -1.32801791
  O     -4.21917533     -0.79359798     -2.65229219
  H     -0.19308629      5.07359738      0.89771807
  H     -5.97193834      4.00329127      0.05644503
  O     -1.94964892     -2.17088364     -1.57884461
  H     -1.48978966     -0.80815583      1.60548365
  H     -6.10767125      5.42838059      0.64727477
  O     -5.01197099      0.67660061      1.11884878
  H     -1.21057627     -0.69191957      3.11353876
  H      0.29063070      2.55120196      1.51162506
  O     -6.66090743      2.53943211      2.51089816
  H     -4.90735746     -1.04023643     -2.01768562
  H      0.11384551      1.09085917      1.00095072
  O     -8.03608759      0.71319071     -0.51985742
  H     -3.42104166     -1.25483916     -2.37048263
  H     -5.47322848      2.76766091      5.86581195
  O     -2.95184055      2.19652816      3.90690748
  H     -2.33402201     -2.57492994     -0.77947630
  H     -4.47815321      2.72076683      4.69323921
  O     -4.37838559      1.87841420     -2.90484322
  H     -1.45859928     -2.85737216     -2.02267250
  H     -3.96478350      4.14294261      1.38633088
  O     -6.03285862     -1.26282809     -0.60030969
  H     -5.61988603      1.34564460      1.45534140
  H     -3.00573703      3.08660867      0.80868110
  O     -5.73610418     -3.38938097      1.24481538
  H     -4.66340894      0.22285323      1.89687388
  H     -7.21075395     -0.96376271      2.88149010
  O     -3.08468887      1.82500880     -0.43207589
  H     -6.27530725      2.67405518      3.38921341
  H     -5.77924132     -1.19439578      3.43786869
  O     -5.73777775      4.56680696      0.81877288
  H     -6.45323561      3.31963222      1.98287051
  H     -0.05020086      1.13609817      3.23204018
  O      0.51307876      1.62785551      1.69710756
  H     -8.29892822      0.60075348      0.40055653
  H      0.19097427      0.79975772      4.72464222
  O     -5.40328044      2.90299931      4.92428011
  H     -7.48738727     -0.05803027     -0.71612628
  H     -9.23428783      0.62633434      2.79150967
  O     -3.10941381      3.72362396      1.53347791
  H     -2.07115892      1.81478542      4.00794536
  H     -7.86129829      1.24932576      2.45235642
  O     -6.57873994     -1.64674293      3.13576870
  H     -2.95693127      2.72378052      3.09584627
  H     -2.52876267     -2.64365141      1.47802823
  O     -0.48139494      0.82300379      4.04964019
  H     -4.23009517      2.14513583     -3.80754125
  H     -3.87178380     -3.24028128      0.97019826
  O     -8.40713537      0.45094414      2.34891561
  H     -4.33845178      0.90407485     -2.88969194
  H     -1.74200595      0.67496916     -0.18564088
  O     -2.93838496     -3.13018771      0.75228043
  H     -5.68879816     -0.57505738     -0.00907561
  H     -1.23349322     -0.72037906     -0.61814460
  O     -1.07724008     -0.00274842      0.00711646
  H     -6.00905494     -2.08193651     -0.09313579
  H     -7.04662434      2.18015755     -0.98033792
  O     -6.42303561      2.89813491     -1.16246528
  H     -6.17693825     -4.22922446      1.34215906
  H     -5.79953611      2.56624051     -1.81766990
          69
 Energy    -248.61275606597235     
  O     -5.60377860      6.51912441     -8.35405679
  H     -4.66763976      6.68413472     -8.51980492
  H     -7.30072877      4.19622719    -10.38168805
  O     -6.73216640      1.25393574     -5.82894659
  H     -5.88188387      5.82048056     -8.95889522
  H     -2.04742867      0.97948972     -4.88519598
  O     -4.33722525      4.36697383     -5.10857256
  H     -6.25602919      0.64754661     -6.40944473
  H     -3.39617094      0.94065791     -4.12408109
  O     -3.33032204      0.42739624     -9.88834232
  H     -6.13893709      1.43785881     -5.09116644
  H     -0.47033314      2.47999876    -11.70390252
  O     -3.77682988      2.49524913     -7.10703167
  H     -3.53759402      4.83196844     -5.39914566
  H      0.20069056      3.53992515    -12.60851854
  O     -6.53352024      5.88353656     -5.90217937
  H     -5.09680286      4.92890431     -5.30827197
  H     -0.79202040      2.59311267     -6.74515354
  O     -7.35991135      3.51809485     -7.31717417
  H     -3.98630453      0.08315056     -9.26772208
  H     -1.10434194      1.08100305     -6.94930913
  O     -2.94066496     -1.62473815     -6.13647998
  H     -3.55327638      1.36410389     -9.99289426
  H     -0.87026000      4.27473396     -8.42889048
  O     -0.98554273      0.82528887    -11.48800685
  H     -2.87728260      2.28104955     -6.82581879
  H      0.48178929      3.60720503     -8.15723744
  O     -1.34324713     -0.38168118     -8.07751738
  H     -4.11419453      3.15095401     -6.48575199
  H     -2.41585221      6.15853005     -6.97410531
  O      0.92403100     -0.12201567     -9.57695937
  H     -7.07029682      6.58487380     -5.54416617
  H     -1.39004828      5.10514933     -6.53993023
  O     -6.56102314      4.22185130     -9.78130841
  H     -6.20639351      6.19118283     -6.76763815
  H     -2.43970702      6.20942324     -9.22931046
  O     -2.64396970      0.39893368     -4.39252565
  H     -7.21109590      4.26394210     -6.72577678
  H     -2.38426407      7.73452139     -8.98367076
  O     -0.11036699      3.38496048    -11.72061012
  H     -7.20820401      2.71453146     -6.80036614
  H     -4.52077976      0.83890776     -7.35016208
  O     -1.20100089      1.81946487     -6.33321927
  H     -2.84249329     -0.95666807     -5.43263787
  H     -4.30726201     -0.66960419     -7.05309993
  O     -0.27528699      4.01599508     -7.71268570
  H     -3.02165085     -2.47174204     -5.70758490
  H     -4.90655741      3.46594028     -9.88570865
  O     -2.15784709      5.60068613     -6.23054498
  H     -0.29990161      0.40885800    -10.95012768
  H     -3.94227627      2.94321299     -8.78643839
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  H     -1.82920581      0.58568020    -11.08590335
  H     -5.15255638      2.23319200     -2.85376397
  O     -4.85324945     -0.05057118     -7.55346092
  H     -2.00283420     -0.07777507     -8.71809686
  H     -4.64947456      2.91634701     -4.14491118
  O     -4.02075940      3.11151354     -9.74006041
  H     -1.80644334     -0.93654146     -7.43699229
  H     -2.61926334      4.15492565     -9.96628333
  O     -4.86227689      2.05563304     -3.74537263
  H      0.18541870     -0.29667388     -8.96946155
  H     -1.23141631      4.36810010    -10.63778377
  O     -1.83688338      4.72751454     -9.97810276
  H      1.50428281     -0.87760156     -9.52951171
  H      1.40309245      1.74309115     -9.40092912
  O      1.47699141      2.70491406     -9.39044934
  H     -6.88765797      3.90375223     -8.91817341
  H      1.07890507      3.00043611    -10.21856506
          69
 Energy    -248.61274286259561     
  O     -1.20024647      7.24077294     19.39750222
  H     -0.34427654      6.79232142     19.52270014
  H      0.27043158      9.30814415     21.39972894
  O      4.62934227      9.57947040     20.19961145
  H     -1.87941172      6.59232767     19.56204195
  H      2.07947412     12.17766717     19.04522137
  O      1.48112867      7.24276319     15.45927318
  H      3.77980895      9.36574213     19.78356771
  H      0.88935491     12.46601232     19.99224737
  O      3.22084059     11.08928927     22.00675182
  H      5.15612371     10.08408269     19.56986753
  H      6.04796611      9.50702915     17.32205098
  O      4.07931677     14.14440255     20.00477241
  H      1.18174039      6.99232655     14.59001544
  H      4.77364585      8.94803060     16.66713029
  O      2.85445728      6.38306822     22.03613369
  H      0.70953246      7.61696129     15.92566308
  H      0.63579365     11.48999035     17.13123815
  O     -0.53476989      8.37146705     16.82636666
  H      3.82575599     10.54374588     21.48116596
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  H      3.32761014     12.44699072     17.23417604
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  H      7.08850634     11.34586386     18.86359095
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  H      5.85033541     11.85777673     18.10239863
  O     -0.25956086      9.57370247     20.63202033
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  H      5.04493898     13.47051889     23.37281169
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  H      5.21997178     14.10648081     17.07046024
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  H      4.69415492     13.71044467     18.47543374
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  O      6.28885638     11.05695143     18.42824388
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  H      1.38519308      9.35757055     19.56050037
  H      5.23293104      6.54220414     19.67455709
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  H      5.61277852      7.10963742     17.46677894
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  H      1.80305362      6.15554635     20.53365376
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  H      2.34986752      6.12938694     16.75152475
          69
 Energy    -248.61271238516059     
  O     -0.79232580     -2.61625078      1.57261539
  H     -0.78775674     -2.84807490      2.50980348
  H      4.08706661     -2.08724620      2.09232990
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  H     -0.21641279      0.29974357     -3.26341192
  H     -0.85558122      2.68910271     -3.20479420
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  H     -4.56837466      3.66898953     -1.84026890
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  H      0.70493044     -2.75723646      0.41013590
  H     -1.32251266      2.55872042      3.94641730
  O     -2.33972607      1.51303500      2.98322605
  H      0.41769456      2.70985820     -0.18472435
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  H     -0.87021614      0.57978166      2.32299165
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  O     -0.66957361      3.11572208      4.40318822
  H      0.81050943      0.79498742      0.65240329
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  O     -0.13062355      0.07096033      1.97067947
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  H      0.50848177      4.08563532      1.43788090
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  H     -1.75069721      2.61893699      0.18457065
  O     -3.32494338      0.52574896     -3.18029121
  H     -0.06040680     -2.03062157      4.36595776
  H     -2.45058557      1.23750771     -0.04773291
  O      0.93781923      4.21407635      2.29380588
  H     -0.83064005     -3.11021985      5.15878353
  H      1.57255433     -0.16570596      4.40910227
  O     -2.58182856      2.13331174      0.29795255
  H      2.49684695      3.57263504      2.70782158
  H      2.07989058     -1.30521092      3.44746051
  O      1.37490693     -1.04855311      4.05643873
  H      3.92468505      3.84294299      3.23558897
  H      2.34614971      2.04977818      4.24139620
  O      1.70179823      1.54316414      4.75135923
  H      3.45467399     -0.71006481      1.78330710
  H      0.88902404      2.06322056      4.73220806
          69
 Energy    -248.61270088576367     
  O     10.55719284     13.42687168    -13.20169120
  H     10.25669431     12.84290204    -12.49578112
  H     13.91879759     12.07547098    -13.23289440
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  H     10.81720567     12.86485988    -13.94286209
  H     16.78899643     10.43914867    -11.37033963
  O     11.47275805      9.67427341    -11.57410312
  H     14.69747676      6.72328339    -17.32352533
  H     15.95379471      9.13252114    -11.11130370
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  H     13.60466049      7.74446862    -16.92139154
  H     14.95586862      7.82332768    -12.57217249
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  H     12.30836432     10.16490600    -11.64456364
  H     15.45999289      6.66056034    -11.68789902
  O     15.15089475     10.29337713    -17.24323492
  H     10.82187012     10.32183653    -11.27956654
  H     14.52379788     14.11858085    -13.36212902
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  H     13.83155707     15.15803004    -12.47691341
  O     13.13938260      8.40766398     -9.64751843
  H     14.73313524      8.04778554    -15.04707583
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  H     14.72315902     12.16214845     -8.46834351
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  H     16.78239730     11.10805391    -13.98178043
  O     14.70171935     14.84587143    -12.74934509
  H     12.41786741      8.72223623    -10.20650036
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  O     17.72945097     11.64377869    -12.43671254
  H     13.77659184      8.02169099    -10.25910570
  H     12.56827811     11.54745447    -18.62263739
  O     11.58434346     11.72650311    -15.21826011
  H     14.52514911     10.90606602    -11.27980936
  H     13.53556741     10.90486494    -17.60206621
  O     14.76090759     13.12906703     -8.59144020
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  H     15.40218064     10.29720927     -9.14053333
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  H     15.82697646     14.06098093    -11.59686599
  H     14.04469348      9.77530081     -8.68790294
  O     12.60107612     11.12037280    -17.77076499
  H     15.90209724     13.40006089    -10.19730149
  H     11.49471810     14.69553030    -12.46154598
  O     14.71089501     10.44308745     -8.47828297
  H      9.38046021     12.13094270    -10.10638746
  H     11.54531944     16.14282166    -11.91662703
  O     12.01559646     15.31367678    -11.91687677
  H     10.87461985     12.39838882    -10.39778613
  H     12.05558000      9.30773284    -17.34039251
  O     11.99782917      8.42841733    -16.94639377
  H     13.19043255     12.34341026    -14.57141871
  H     11.79070221      8.57417293    -16.01244938
          69
 Energy    -248.61259662980029     
  O      4.69312577     -5.23096935      2.20956736
  H      4.45023861     -5.52917855      3.09146189
  H      2.62264421     -8.20391048     -0.35261089
  O      2.72429299     -5.65706050     -3.16017154
  H      3.87173853     -5.31691095      1.69193236
  H     -0.50514293     -4.51069786     -3.39333874
  O     -1.16429740     -5.94731827      1.56434469
  H      1.82263517     -5.88974886     -2.89529192
  H     -0.90090479     -3.03148796     -3.17901536
  O      2.26162343     -0.93758135      1.35604873
  H      2.62005240     -5.00637649     -3.86482507
  H      5.03828752     -4.69925109     -1.14958590
  O      4.23776266     -2.71882107      0.95040677
  H     -0.55484549     -5.72707083      2.27851484
  H      3.77503393     -4.60573804     -2.02355109
  O      3.86163206     -7.67943157     -1.51494080
  H     -1.50062845     -5.10394665      1.23120804
  H      2.20161480     -6.48742329      0.67007097
  O      1.23089751     -1.22532575     -1.23827196
  H      2.99630922     -1.56843748      1.24723399
  H      1.91935214     -4.98066363      0.30994380
  O      2.78121285     -8.61523395      3.02465660
  H      2.62537254     -0.16298437      1.77697992
  H      0.03917568     -3.82581462     -0.13193123
  O      3.27416120     -6.32706989      4.46375410
  H      4.49855499     -3.43155017      1.54495559
  H      1.13206186     -3.06186033     -0.91400069
  O      0.09926033     -5.94286893     -2.30498724
  H      4.26380712     -3.09942168      0.06246731
  H      1.93877573     -3.42413484     -5.82579827
  O     -0.67871227     -7.81405162     -0.32894489
  H      4.58686505     -7.22751309     -1.06721205
  H      1.06813355     -3.50636877     -4.55059711
  O      2.00215089     -8.28075499      0.38958180
  H      3.55120065     -7.07407109     -2.20063865
  H     -1.71851572     -2.76654741     -0.18991140
  O     -0.52663854     -3.64419616     -3.82185242
  H      1.97496299     -1.32669118     -1.85203574
  H     -1.13036410     -2.89558830      1.26180000
  O      4.41400540     -4.07125536     -1.53197717
  H      1.57999803     -1.00471171     -0.36555559
  H      0.40535135     -3.21585764      2.87670665
  O      2.36147987     -5.57340075      0.93223568
  H      2.85825173     -9.55260015      3.18530484
  H      0.82191161     -1.90467999      2.16165349
  O      0.86744143     -3.93976448     -0.61895650
  H      2.50230038     -8.53151011      2.09902777
  H      1.42744472     -5.15704114      2.39264048
  O      1.98542370     -3.51100576     -4.87740687
  H      3.46987783     -6.57499956      5.36364598
  H      1.59579864     -5.35310798      3.89188406
  O     -1.59670645     -3.36997507      0.55163409
  H      3.09649523     -7.15379676      3.98125027
  H      6.81162594     -6.25763127     -0.07370354
  O      0.06081920     -2.40595113      2.47737895
  H     -0.23500766     -6.64548282     -1.73717501
  H      5.57007608     -5.84456465      0.74665193
  O      0.98374641     -4.99785013      3.24062823
  H      0.36047646     -5.21598575     -1.71529318
  H     -0.48479121     -1.44217412     -1.62365851
  O      5.87523893     -6.08778775     -0.14280695
  H     -0.87623593     -7.16977095      0.37589335
  H     -1.87864977     -0.93445177     -2.05788122
  O     -1.40020430     -1.71992520     -1.80375749
  H     -1.41316380     -8.42140120     -0.35879663
  H      3.82851372     -2.52825308     -2.47085547
  O      3.26193309     -1.88713223     -2.91903431
  H      1.09672416     -8.24788877      0.05755438
  H      2.87642805     -2.35697425     -3.66982136
          69
 Energy    -248.61255325192650     
  O     17.68948277      8.06731764    -12.79647855
  H     18.37483660      8.36416877    -13.40703501
  H     13.06942085     12.34737265    -13.97517174
  O     12.24185617     11.23344029    -10.63111858
  H     18.09166809      7.49932573    -12.12279438
  H     17.42999948      6.80570002     -7.64472539
  O     19.44306622      9.28532314    -14.57317354
  H     11.83830870     11.33561898     -9.77343666
  H     16.95241584      7.80719154     -8.72064966
  O     11.35556226     10.05575028    -13.07872249
  H     12.93764453     10.55921740    -10.53734429
  H     13.96158463      8.43435044    -10.77626099
  O     15.69395258      6.21521160    -13.32715830
  H     18.76401480      9.78345178    -15.06480711
  H     14.71958789      9.62592675    -11.39653530
  O     18.25339451     11.53316137    -10.18574386
  H     20.08747275      8.99084505    -15.21033545
  H     18.07279938      5.43731541    -11.24371511
  O     16.58836164      9.44675015     -9.10822592
  H     11.53732938     10.46380252    -12.22351108
  H     18.14498394      6.44844542    -10.08619609
  O     11.60029267      7.36994180    -13.26049391
  H     11.76914323     10.62618643    -13.73743693
  H     16.86833668     12.40743761    -11.17093520
  O     17.52155462     10.78949854    -15.73848088
  H     16.39346223      6.87683546    -13.22639488
  H     16.07072043     11.64852134    -12.24097696
  O     13.86747576      7.50505680    -15.04419663
  H     16.03797449      5.39786217    -12.94687530
  H     16.17221816      4.38121871    -11.00431789
  O     14.84059140     10.04237889    -15.33645080
  H     18.87512297     11.91292397     -9.56969394
  H     16.77561143      3.16488922    -11.74786948
  O     12.77411182     11.87487743    -14.77422282
  H     18.74180622     11.39076271    -11.01578253
  H     15.42690770      9.99908178    -13.63895263
  O     17.12969927      6.86545598     -8.54769530
  H     17.14543757     10.12901323     -9.49926160
  H     16.49749299      9.36572940    -12.69275116
  O     14.20556148      9.35606499    -10.61909124
  H     15.73306910      9.48509626     -9.55581664
  H     19.61230059     10.60812393    -13.18928683
  O     18.52370261      6.23858434    -10.94974481
  H     11.47546017      8.33363910    -13.19532842
  H     19.06885737     12.04126110    -13.15883011
  O     16.25869347     12.54207546    -11.90541475
  H     10.75100580      6.99717722    -13.48105539
  H     17.19507571     13.04117195    -13.35658506
  O     16.74107574      4.11715634    -11.75060835
  H     17.56126320     11.64368388    -15.29133744
  H     17.81248749     14.07347219    -14.32644726
  O     15.77644022     10.00974117    -12.73865265
  H     16.59425820     10.51609150    -15.72501095
  H     14.38483186      6.61270760    -12.09553540
  O     19.49912559     11.37233172    -12.61209887
  H     13.05414572      7.42472738    -14.53292023
  H     12.87126977      6.89486131    -11.98817398
  O     17.79370138     13.14360307    -14.11476459
  H     14.52116675      6.96460034    -14.58021149
  H     14.47320419     12.99445304    -12.18698865
  O     13.67103957      6.77473440    -11.46082000
  H     14.47374212      9.14417334    -15.34302261
  H     13.07155446     12.51965416    -11.74556368
  O     13.53927230     13.01165537    -12.43268047
  H     14.10729483     10.66468876    -15.25802540
  H     15.78789941      5.74174732     -9.27323043
  O     15.20953320      5.13648892     -9.75556986
  H     12.34678227     12.51890710    -15.33291013
  H     14.54980989      5.68133882    -10.20529068
          69
 Energy    -248.61253356927051     
  O     13.18568757      5.01734302    -10.33535506
  H     13.49929509      5.59983875     -9.63310003
  H     17.56124815      8.67973590    -12.18191146
  O     18.09878021      8.40091972    -13.89434202
  H     13.98051543      4.64600573    -10.73807645
  H     15.52421476      8.44956438    -11.93995882
  O     16.71283629     11.58184608    -11.43619865
  H     17.61100523      7.78401207    -14.45557791
  H     14.03245911      8.37729469    -11.53683825
  O     11.62147361      8.48840055    -14.95948440
  H     18.91048759      7.94427212    -13.63466412
  H     11.77873960      5.52983613    -11.21111046
  O     18.09575943      3.17933632    -12.25397187
  H     16.66099001     11.43138543    -12.39744944
  H     10.26339882      5.30427233    -11.40853787
  O     12.09380587      5.89910711    -14.34121918
  H     17.22339407     12.37709669    -11.30924740
  H     21.12948449      6.92225555    -12.84153970
  O     16.74230002      6.51430553     -9.86271569
  H     11.78416084      7.53577732    -14.83905023
  H     19.86406578      6.36506095    -12.14710401
  O     14.06585051     11.30680921    -10.33900014
  H     10.92439001      8.57179299    -15.60472102
  H     14.68051121      6.71393180    -13.16645650
  O     18.76030808      4.74779945    -14.37166472
  H     18.31587250      3.66850750    -13.06700797
  H     15.10660037      5.24636809    -12.94867345
  O     12.32898120     11.34139946    -12.51224896
  H     18.41639297      2.28931146    -12.37100725
  H     15.71615499     10.61392825    -14.32567660
  O     13.98529093      9.89816821    -14.36515802
  H     13.03745280      5.76514408    -14.17903024
  H     17.16860052     10.09319773    -14.15314938
  O     17.17829450      8.82659836    -11.30479918
  H     11.66129334      5.76636028    -13.48815276
  H     16.00494673      6.21265667    -14.83538462
  O     14.64405704      8.22301445    -12.26614173
  H     16.93287532      7.35711184    -10.30102055
  H     16.36944410      6.56304027    -16.29840750
  O     10.99814428      5.83374463    -11.70766470
  H     15.97114798      6.66229151     -9.30217755
  H     18.87804576      4.58834252    -11.18440810
  O     20.19296286      6.78876065    -12.96044520
  H     13.46781319     11.49795324    -11.07778093
  H     18.41942549      5.79615481    -10.34372183
  O     14.79848868      5.86602111    -13.62288276
  H     14.95886474     11.45950674    -10.66608453
  H     10.99122217      7.69860536    -11.91993660
  O     16.60796947     10.87244964    -14.05500156
  H     19.35917422      5.40924163    -14.00267533
  H     11.28683761      8.66359357    -13.07267559
  O     16.73883810      6.45558978    -15.42568712
  H     18.07776471      5.24569672    -14.83788793
  H     16.46233200      3.87129963    -11.69967971
  O     19.17061310      5.43895553    -10.83462855
  H     12.90233463     11.01409600    -13.21778724
  H     16.08776416      5.15825529    -10.92153696
  O     11.14498378      8.63287352    -12.11788299
  H     11.73718934     10.60978520    -12.30818732
  H     13.80829934      7.65183989     -9.02185312
  O     15.71998666      4.43470786    -11.45061179
  H     14.23125731      9.32882364    -13.61915193
  H     14.08523664      7.08642492     -7.60915487
  O     14.27127711      6.94753479     -8.53428018
  H     13.21455056      9.47637657    -14.76404807
  H     12.27253853      8.81696986    -10.64537774
  O     13.03070743      8.82485189    -10.04760126
  H     17.09478019      9.78167985    -11.18729766
  H     13.39653915      9.72526879    -10.03833999
          69
 Energy    -248.61228040835854     
  O      0.88237583      0.87783234     -1.98442960
  H      0.34631825      1.33823250     -2.65521079
  H      2.05762627     -2.24615212     -3.88853081
  O     -0.76596438     -4.19198105     -5.68024750
  H      0.85860367      1.41792620     -1.19806662
  H     -2.60772394     -7.12880759     -4.76913981
  O     -0.21168146     -6.54922085     -2.58065303
  H     -1.38660798     -4.89918978     -5.46552827
  H     -1.57154905     -6.47248065     -3.83027124
  O     -1.04157368     -4.40663153     -1.19244261
  H      0.08696910     -4.47930367     -5.32367894
  H     -3.03446200     -3.45728421     -3.14004408
  O      1.50041946     -5.15004213     -4.35462440
  H     -0.46464572     -5.78341181     -2.03111394
  H     -3.22630698     -4.96739299     -3.32383186
  O     -0.94618026     -0.20865127     -5.51449476
  H      0.02489898     -7.25162284     -1.98122281
  H      2.35433187      0.94202470     -3.23213102
  O      4.14151471     -0.23570409     -7.89111190
  H     -0.65537186     -3.52535153     -1.24902505
  H      2.60479354      1.78615207     -4.51101282
  O      0.11499495     -1.88026490     -1.90110766
  H     -1.93520233     -4.33631645     -1.56118492
  H      4.81718002     -0.31438404     -6.08895460
  O      5.06793481     -2.86580650     -3.93822660
  H      1.01886794     -5.72071728     -3.74464056
  H      4.41738861      0.15680099     -4.67361293
  O     -0.40786815      2.09777207     -4.03282787
  H      1.79580291     -4.38016308     -3.84552128
  H     -0.84741227     -0.12046562     -7.26506834
  O      1.77835503      3.03163249     -5.60448237
  H     -0.03296273     -0.52646818     -5.42560197
  H     -1.33906827      0.19253168     -8.69816081
  O      2.37267396     -2.81398497     -3.16684428
  H     -1.47971606     -0.82596134     -4.99700059
  H      2.15016597     -0.39813693     -4.95487931
  O     -2.26812054     -6.28524666     -4.47965572
  H      3.68113775     -1.09163077     -7.81314151
  H      2.03327959     -1.57100983     -5.99769926
  O     -3.38502878     -4.24699209     -2.70367416
  H      4.71388267     -0.29971362     -8.65148514
  H     -1.42769776     -2.90234441     -4.54798529
  O      2.91792594      1.01942264     -4.01176499
  H      0.94339017     -2.27591783     -2.21042871
  H     -1.17789797     -2.11945204     -3.22448649
  O      5.00974273     -0.43913163     -5.15233182
  H      0.29178619     -0.93444072     -1.83743199
  H      1.04689348      0.82930662     -7.98825104
  O     -0.59906592     -0.15421297     -8.20546972
  H      5.91847264     -2.99215652     -3.52659878
  H      2.59515630      0.84833790     -7.84645282
  O      1.61902178     -1.15760726     -5.22878088
  H      5.10069915     -2.00269004     -4.38836486
  H      3.14462804     -3.25083016     -6.99103404
  O     -1.81627933     -2.25741976     -3.93836881
  H      0.24492368      2.55291166     -4.57901039
  H      1.87762923     -2.72347397     -7.76493876
  O      1.79630623      1.37647780     -7.72638395
  H     -0.73568507      1.36502471     -4.57293699
  H      4.30664878     -4.05810001     -5.25709365
  O      2.75191406     -2.48049151     -7.42597777
  H      2.04541735      3.90480807     -5.87761934
  H      3.03714777     -4.91566401     -5.45369275
  O      3.78171306     -4.51796934     -5.92406369
  H      1.75988631      2.47829943     -6.40679939
  H     -0.27673079     -3.34182555     -7.31312323
  O      0.15751181     -2.93856598     -8.07626621
  H      3.33302461     -2.84703365     -3.25339003
  H     -0.19938557     -2.04786839     -8.17427917
          69
 Energy    -248.61214964461340     
  O     17.84492430      8.05046506    -11.50641350
  H     18.41053075      7.90596059    -12.27540879
  H     12.90447669     11.00409845    -15.60321595
  O     19.22780758      7.78202974    -13.92191387
  H     18.15852746      8.83376995    -11.03031300
  H     16.35872832     11.42932110     -6.06318483
  O     11.91218648      9.97423855    -12.41811910
  H     18.49867455      7.85553854    -14.56522283
  H     16.93577971     10.38776222     -7.05172926
  O     15.75415549      6.69395145    -10.27186601
  H     19.81018978      7.09838574    -14.24183612
  H     14.64283142     10.05253374    -11.37376065
  O     18.40778203     10.39233092    -10.17763221
  H     12.26899140     10.18821053    -13.28706340
  H     13.84446705      9.66782687    -10.10412436
  O     19.59520955     12.21062650    -11.94663503
  H     12.56182441     10.30729015    -11.78288339
  H     18.42259118      9.58216708     -8.47914729
  O     16.10775394     11.86498532     -9.56032910
  H     16.48812454      7.11035431    -10.74563341
  H     17.83026246      8.38300691     -7.68878636
  O     11.55687138      7.51553013    -11.32041543
  H     16.08419213      6.55336180     -9.37465026
  H     15.76185749     10.93653252    -13.49668192
  O     17.21291978      8.21477529    -15.66434151
  H     18.94008239     10.99193368    -10.71435855
  H     16.00120771     12.44700607    -13.35665302
  O     13.91281247      6.45051837    -12.52936280
  H     17.58608931     10.86756100     -9.98487887
  H     15.99110887      7.33404423     -7.26164318
  O     14.60161182      7.95277554    -14.70321303
  H     20.40288304     12.71701284    -11.93893617
  H     16.88044007      6.10448991     -6.96020359
  O     13.29769628     10.55546918    -14.85796287
  H     19.61884124     11.65379188    -12.74546730
  H     16.51898102      8.98783019    -12.25608837
  O     16.17229464     10.96782611     -6.87686122
  H     16.08106896     11.71143721     -8.60816719
  H     15.37091782      8.83797398    -13.29321646
  O     14.06769769     10.41181909    -10.68034619
  H     15.32056280     11.43565195     -9.92751124
  H     18.89518800     10.80717815    -14.79534759
  O     18.17953031      9.27715625     -7.59482472
  H     10.64223397      7.24763306    -11.32973800
  H     19.56219353      9.64998481    -14.02755438
  O     15.65790766     11.77977041    -13.96764193
  H     11.60189754      8.38595787    -11.75546067
  H     17.39799642     11.66975608    -16.68937097
  O     16.70988291      6.77792256     -7.61364382
  H     16.29579702      8.01993887    -15.42774702
  H     16.77799304     11.39702979    -15.29823171
  O     15.74873243      9.43032717    -12.63105017
  H     17.24117760      9.15170465    -15.89287123
  H     14.26188996      7.57872609     -9.69536819
  O     19.55323109     10.61032046    -14.11777067
  H     13.07270318      6.70741601    -12.12923452
  H     12.73577070      7.80209871     -9.88368782
  O     17.41406277     11.06384676    -15.95296266
  H     14.54653336      6.37977641    -11.80594063
  H     17.81851917     12.98185607    -11.99039876
  O     13.49415000      8.05454923     -9.34335225
  H     14.26257770      7.34699376    -14.02390464
  H     16.56654594     12.92054432    -11.10372373
  O     16.88095617     13.20922077    -11.97025485
  H     13.97802560      8.67748074    -14.82328813
  H     15.04885239      9.37675621     -6.85126198
  O     14.71858995      8.47080091     -6.86744888
  H     14.05473670     11.09564851    -14.57976755
  H     14.14170725      8.39444420     -7.64072468
          69
 Energy    -248.61209363310633     
  O     -2.62060500     -2.15062952     -1.42757728
  H     -2.96039119     -2.82373621     -2.01314211
  H     -3.32917376     -4.43603110      3.83201019
  O     -2.26339354     -0.64323046      1.99619933
  H     -2.41400835     -2.59538230     -0.58942402
  H     -3.82823464     -0.96772936      5.87487774
  O     -5.85605348     -2.81852429      2.36378098
  H     -2.08973985     -1.53609517      1.67298802
  H     -2.85195544      0.01093708      5.20947860
  O      1.69635858     -3.09318151      4.71309324
  H     -3.21092198     -0.48585750      1.88973003
  H     -0.76344788     -1.47352591     -1.45844026
  O      1.00645959     -2.59999703      0.97510188
  H     -6.58130487     -3.40850808      2.17655290
  H     -0.08606046     -0.29996619     -0.74145859
  O     -3.43263391     -2.75210036      6.49918326
  H     -5.27624895     -3.29656166      2.97947013
  H      0.75826202      2.21632950      2.81919189
  O     -4.99741796     -0.33115989      1.66136792
  H      1.66625166     -3.80136027      4.05888354
  H      0.69355178      1.60335679      1.41881475
  O     -0.72606070      1.05664875      0.35414959
  H      1.81902375     -2.27955203      4.20531640
  H     -3.77780898      2.44698913      2.98374939
  O     -1.13399022     -0.06837289      4.37205366
  H      0.85581214     -2.12073246      0.14640759
  H     -3.02951443      2.81298561      1.67310706
  O     -1.72419207     -3.16625365      0.99284715
  H      1.16948886     -1.94211525      1.66625977
  H      1.21069120     -4.13301875      1.87805807
  O      1.35377569     -0.79081563      3.07283011
  H     -2.49225298     -2.76959524      6.25191036
  H      1.73465205     -5.56774104      2.11374615
  O     -4.20004237     -4.12327241      4.10543956
  H     -3.48471366     -3.07177858      7.39670806
  H     -5.94623375      1.87315036      4.24772556
  O     -3.76902672     -0.08458177      5.49331716
  H     -5.34710423     -1.20277997      1.90237918
  H     -4.75371809      0.90829952      4.45383303
  O      0.09481538     -1.15503908     -1.15728627
  H     -5.21810492      0.28747956      2.36742393
  H     -3.59284962     -0.50596396     -1.13832200
  O      1.30161901      1.78370496      2.15031296
  H     -1.35566644      1.71771708      0.04404442
  H     -4.54996086      0.04716549     -0.06105138
  O     -2.97441951      2.85090557      2.63570987
  H     -1.23417149      0.47308784      0.93606319
  H     -1.49629231      2.77625539      3.53411614
  O      1.19625971     -4.88128062      2.49928868
  H     -1.57430537     -0.26265885      3.52655302
  H     -0.62893456      3.40162793      4.65378202
  O     -5.20900625      1.46767701      3.79919027
  H     -0.90942398      0.87181933      4.37582629
  H     -0.60236272     -4.80840434      3.15065899
  O     -4.09557159      0.27650580     -0.88527101
  H     -0.77547880     -2.98731725      0.91035106
  H     -1.29839933     -3.83159290      4.11999190
  O     -0.69248729      2.64985716      4.07095674
  H     -1.82400318     -3.69710822      1.79273032
  H     -0.97555556     -1.69253025      5.17013913
  O     -1.46895892     -4.48611034      3.42815157
  H      0.53388735     -0.64852730      3.55898656
  H      0.04733900     -2.83627033      5.39108278
  O     -0.88974199     -2.60621796      5.47614117
  H      1.57284207      0.08370787      2.71863007
  H     -3.18277969      3.31265357     -0.86783760
  O     -2.97452200      2.64388003     -0.22138289
  H     -4.06644317     -3.69112494      4.95757350
  H     -3.40505120      1.82141875     -0.51840204
          69
 Energy    -248.61195819873029     
  O     15.53462486     10.19516212    -16.32758170
  H     15.23900857      9.27900380    -16.41521764
  H     16.19706875      4.68368005    -16.67041014
  O     14.94687201      7.39089406    -16.28919455
  H     14.84675119     10.64365062    -15.81409249
  H     19.74677757      6.07999734    -13.97786530
  O     17.64501064      6.98955207    -11.48438697
  H     15.05153253      6.62696447    -16.86824030
  H     19.83656407      5.71852396    -15.49673839
  O     20.56946872      5.96574939    -17.16392761
  H     15.77953813      7.43104638    -15.78856774
  H     19.78778478      9.02256319    -17.08572530
  O     18.19699309      6.35724403    -18.40091324
  H     18.57646337      6.96907785    -11.73021249
  H     20.77726163      7.86928381    -16.87015847
  O     13.45432295      8.39461850    -10.01326435
  H     17.30852969      7.83718164    -11.81630988
  H     17.97317467      6.90579482    -14.86049887
  O     13.82077545      6.80135402    -13.81708313
  H     19.73888302      6.04615153    -17.66826512
  H     17.20891003      8.09731569    -14.18497328
  O     16.69183660      9.20581102    -12.73602386
  H     21.16871798      5.45378861    -17.69997817
  H     13.69254149     10.60404052    -13.84301761
  O     16.90063989      4.22694822    -15.14449998
  H     17.38798742      5.88324250    -18.17486012
  H     12.78721273     11.59844556    -14.58725167
  O     12.43730555      6.10039073    -11.44244727
  H     18.02165958      7.29326997    -18.23503092
  H     13.56425653      4.89851178    -10.82108384
  O     20.01109108      9.50266275    -14.10269260
  H     13.16253275      8.78260956     -9.19282101
  H     13.97234401      3.55034927    -10.17602852
  O     15.83701019      5.00850396    -17.51617096
  H     14.24653435      7.86633917     -9.80733969
  H     20.15751685      8.09411966    -13.10243154
  O     19.29510184      5.62709850    -14.70064900
  H     14.02893193      6.97614603    -14.74368327
  H     21.08151553      7.29363172    -12.15598892
  O     20.64658336      8.80866845    -16.69635621
  H     14.54316592      6.25640376    -13.47170388
  H     15.38845347      4.77767307    -12.00189880
  O     17.34027583      7.61818516    -15.01065345
  H     17.01080652      9.97401124    -13.22578331
  H     16.52700442      5.77768420    -12.33746641
  O     13.67049534     11.23766834    -14.57753894
  H     15.73118712      9.28688874    -12.67118281
  H     16.38360930      6.83920850    -10.08377000
  O     14.32329118      4.36573877    -10.52259313
  H     16.45159508      4.45742248    -14.32066534
  H     15.23015885      5.87486444     -9.73941002
  O     20.24255335      7.25816528    -12.60764087
  H     17.80891806      4.53348334    -15.02304250
  H     13.82982851      8.43061607    -13.08083354
  O     15.84766024      5.21301385    -12.73089416
  H     12.71143877      6.30281043    -12.34725344
  H     13.71128206      9.11346553    -11.69128323
  O     15.57606565      6.75824546     -9.56006830
  H     12.60522962      6.90225710    -10.93189626
  H     16.90742156     10.76754021    -15.23024624
  O     13.91567238      9.27948547    -12.62011191
  H     20.34347969      9.28752892    -14.98817336
  H     17.54898707     12.03489339    -14.63205565
  O     17.55761380     11.08180887    -14.58134887
  H     19.26149931     10.08791090    -14.24418981
  H     17.83129418      8.50713104    -16.53127340
  O     17.91138612      8.97080610    -17.38121766
  H     15.43999936      4.25849289    -17.95056033
  H     17.16835704      9.58043994    -17.39094075
          69
 Energy    -248.61195482942477     
  O     -7.60900499     -2.18106912      6.20764374
  H     -6.69241813     -1.88941456      6.24814019
  H     -8.30811262      0.42542253      3.84307395
  O    -10.44933892     -1.99442454      2.80029073
  H     -8.15188468     -1.43544594      6.50526542
  H     -4.67223086     -1.28926914      5.22268272
  O     -8.49922260     -3.61012303      4.12834101
  H    -10.03270887     -1.85788418      1.94139311
  H     -4.21668186     -1.55613364      6.67769264
  O     -5.81326623      1.42657215      5.72004125
  H     -9.88305718     -2.61897534      3.27306329
  H     -2.42202204      3.32642217      1.05950549
  O     -4.94743740      5.86011666      1.09755993
  H     -8.20952764     -3.11714454      4.91921933
  H     -1.58022015      2.59362268     -0.01586284
  O     -9.21520815      1.37891048      0.61535014
  H     -8.58240358     -4.52249653      4.39008108
  H     -7.88687119      4.02405759      3.99472988
  O     -9.14008271      0.02942468      6.81121769
  H     -6.50723113      1.78901009      6.28573408
  H     -9.29904458      3.39949532      3.88824867
  O     -4.36817168     -1.41270027      3.50834068
  H     -5.53164290      0.56625949      6.05724456
  H    -10.11680195      2.18933801      1.88265413
  O     -5.02896244      3.56611564     -0.38952654
  H     -5.07073926      6.65647349      0.58836252
  H    -11.33777463      3.02430792      2.33341946
  O    -10.09140482      0.31983485      4.22034806
  H     -5.00299884      5.11344075      0.47480874
  H     -7.04949167     -1.16752605      2.89577872
  O     -4.01482093      0.96786694      2.01676178
  H     -9.15568068      0.41976420      0.52391773
  H     -7.39069227     -2.67814276      2.98676143
  O     -7.38050239      0.45200863      3.57238304
  H     -8.30534962      1.68652415      0.71119134
  H     -8.67912028     -1.96730558     -0.29252917
  O     -4.92063146     -1.17712866      6.15817930
  H     -9.61311710      0.11255653      5.97028975
  H     -8.05616412     -1.67291964      1.08987079
  O     -2.44515401      2.62516814      0.38321103
  H     -8.80268729      0.91231646      6.99653078
  H     -8.13605215      3.31558606      7.60108719
  O     -8.64057908      3.71805980      4.51591022
  H     -4.12645917     -0.63110006      2.99485329
  H     -8.27973129      3.05157660      6.08362725
  O    -10.54067190      2.60880864      2.65186987
  H     -5.13313132     -1.79362570      3.05851054
  H     -3.09042625      4.08779099      3.07066470
  O     -6.92334961     -2.02211939      2.45155169
  H     -5.63143131      2.94631751      0.03755861
  H     -3.37378145      5.13570651      1.97252283
  O     -8.79029540     -1.44251569      0.49668392
  H     -4.14378721      3.19129207     -0.28925963
  H     -4.68335567      2.45352841      4.77968761
  O     -7.99893828      2.65446429      6.92826883
  H    -10.40940561      1.08686893      3.73107767
  H     -4.03160385      2.20606050      3.40953847
  O     -2.69841490      4.53246288      2.30697725
  H    -10.34043737     -0.47847142      3.73069305
  H     -6.56351066      2.88959393      1.93569811
  O     -4.19367674      2.89369145      4.07021459
  H     -3.39168687      1.38495817      1.40820780
  H     -6.94347175      1.41353134      2.16200600
  O     -6.60720271      2.03025658      1.49118797
  H     -4.89888114      1.24496355      1.74188626
  H     -5.58754839      3.90698897      3.45833784
  O     -6.33119870      4.33669745      3.00952218
  H     -6.85993972      0.77341731      4.31830655
  H     -5.95659368      5.01100535      2.43002567
          69
 Energy    -248.61181577473837     
  O     18.13119631      9.04234759    -10.57706636
  H     17.85994161      8.19447005    -10.20284795
  H     17.99391982     11.85949943     -8.77842802
  O     14.21342417      8.91706983    -10.80299174
  H     17.37521155      9.43038755    -11.03480117
  H     17.10573143     11.69864358    -12.05942139
  O     18.84327363      3.55920888    -11.40737203
  H     14.62908088      9.30174215    -10.00887657
  H     17.50794298     12.52028392    -10.82157125
  O     21.31083717      7.06274013    -12.06853843
  H     13.27346685      9.04373070    -10.70847253
  H     19.52037221     10.18589537     -7.93144255
  O     15.47074622     10.05160100     -8.71832751
  H     18.82601625      2.60521938    -11.40757126
  H     18.91584729     10.09041368     -9.36104120
  O     18.04064260      5.96944416    -15.39964749
  H     17.93063424      3.85741105    -11.26281603
  H     19.88268727     10.01127617    -12.97774328
  O     22.89621557      8.61767607    -10.31829373
  H     21.97870591      7.52128481    -11.54377530
  H     19.18170839      9.04598757    -11.99523189
  O     17.07173723      8.31862503     -7.24950084
  H     20.74971575      7.75824279    -12.44337215
  H     19.57299226      4.52213413    -12.91001554
  O     21.37780122      7.41817416     -8.21126041
  H     15.95247912     10.88223011     -8.78652605
  H     20.52542518      5.70624307    -13.17202059
  O     19.82027822      8.94638334     -6.61185573
  H     15.99430231      9.47502572     -8.14180399
  H     15.37300918      9.83378543    -11.92805057
  O     17.66420781      6.56964573     -9.35835170
  H     18.26745251      5.65009654    -16.26869374
  H     16.42291905      9.53138321    -13.04161430
  O     17.18968927     12.38310306     -8.93837494
  H     18.73070204      5.63390888    -14.80251371
  H     21.16970333     11.32413837    -11.23501646
  O     17.71242980     12.38869828    -11.75421473
  H     23.83102269      8.80327698    -10.29111565
  H     20.83723531     10.96481260     -9.77371874
  O     19.32938327     10.69825483     -8.72675190
  H     22.44151857      9.47743971    -10.37867658
  H     16.12589490      7.19074297    -12.75018544
  O     19.62892899      9.08903119    -12.85633166
  H     17.21751002      7.61136265     -7.89296369
  H     15.05796532      7.44985677    -11.65102124
  O     19.92988056      5.08398483    -13.60741919
  H     17.94834005      8.53588576     -6.91364686
  H     18.09699599      8.44228506    -13.64923894
  O     16.17252373     10.16560704    -12.35494330
  H     21.95921415      7.85021956     -8.84884325
  H     17.39774506      7.40161264    -14.54537432
  O     21.54912354     10.95780854    -10.42754735
  H     20.99547643      6.66558647     -8.68021450
  H     20.39177964     12.51321009    -13.40254736
  O     15.55135090      6.75710749    -12.10603971
  H     20.20812470      8.97928348     -5.74176451
  H     19.29491221     12.09846816    -12.39451848
  O     17.22604700      8.12826467    -13.92948360
  H     20.38781370      8.36346850     -7.14810118
  H     16.00704441      5.29724053    -11.40026301
  O     20.16683634     11.85220082    -12.75376953
  H     18.57337615      6.26536991     -9.49011976
  H     15.51539844      4.09768995    -10.55438018
  O     16.30273945      4.53317395    -10.86966715
  H     17.09801229      5.91816851     -9.78411412
  H     19.84327526      4.78276978    -10.37480496
  O     20.18402151      5.59754659     -9.98762297
  H     17.20086826     13.10208604     -8.31146483
  H     20.55963657      6.11039928    -10.71919481
          69
 Energy    -248.61166395566534     
  O     11.01562612      9.82799005    -14.69937290
  H     11.49484625     10.62639686    -14.94806651
  H     14.00738823      5.04889996    -15.08669245
  O     15.80128955      6.71033494    -13.04406301
  H     11.42472218      9.10995225    -15.20289475
  H     18.54237491      7.50076300    -14.25400365
  O     16.77496230     11.53124878    -13.36557784
  H     16.75549135      6.83683267    -13.07334971
  H     19.17005427      6.43354293    -13.33808072
  O     16.66238385     10.20760581    -15.74384892
  H     15.40118252      7.44059423    -13.54439654
  H     13.82505592     11.15706509    -16.68332133
  O     12.14964609      5.33253529    -14.75034940
  H     15.82477635     11.48294246    -13.19114513
  H     15.27840714     10.66039905    -16.84843676
  O     15.43655911     10.38333034     -9.33678141
  H     17.19279291     11.42501208    -12.50381104
  H     13.90620906      8.42904535    -15.00213872
  O     14.26433781      7.13087712    -10.81236437
  H     16.82920092     10.71302125    -14.93194905
  H     15.29890102      9.15818901    -15.03192131
  O     14.04050231     10.98270579    -13.03862814
  H     17.35579823      9.54621779    -15.83614654
  H     10.79366024      9.38380712    -13.03820234
  O     16.18556086      6.79071140    -17.00096057
  H     11.50070887      4.63603559    -14.79899882
  H      9.77966143      9.20950977    -11.88440870
  O     16.30190531      7.67878111     -8.94738368
  H     12.07934975      5.71857573    -13.85804449
  H     18.14343357      9.33756610    -10.80376349
  O     18.37371114      7.95273389    -16.00227475
  H     14.56218299     10.29793723     -9.73734582
  H     18.39526836      8.05641417    -11.63445396
  O     14.96480012      5.09498348    -15.18937304
  H     15.68032942      9.49348727     -9.05119064
  H     12.70380981      6.60059633    -11.72182691
  O     18.58195847      7.18669903    -13.33726431
  H     14.81987651      6.93789593    -11.58323581
  H     11.46357135      7.34475503    -12.25402487
  O     14.41790609     10.70058793    -17.29102339
  H     14.87062001      7.20449650    -10.06605085
  H     16.84029082     10.96095847    -10.21825980
  O     14.64639791      8.73092782    -14.46082517
  H     13.70447243     10.70288524    -12.17945371
  H     18.12353199     11.82160054    -10.19225245
  O     10.69632925      9.08596604    -12.11601462
  H     14.23402876     10.15795465    -13.51331943
  H     14.14815936      9.13380234    -17.97724272
  O     18.22120662      8.37613926    -10.74286662
  H     15.48610304      7.24088180    -17.48601871
  H     13.83998677      8.22916843    -19.19524978
  O     11.95556741      6.51823639    -12.32660153
  H     15.75409533      6.13728532    -16.43001209
  H     12.20728125      9.56729941    -11.12080650
  O     17.66767028     11.15181520    -10.69555848
  H     17.01861877      7.85383627     -9.58411217
  H     13.51462449      8.81178942    -10.80322077
  O     14.02158678      8.20910021    -18.25968011
  H     16.70005043      7.24939698     -8.19530221
  H     13.24105844     11.73313910    -14.43446881
  O     13.09862862      9.68635857    -10.76949160
  H     17.59753497      7.49705315    -16.38152951
  H     12.68853082     12.93372915    -15.23433796
  O     12.80431735     11.98718105    -15.26571316
  H     19.04866331      7.95400516    -16.67583045
  H     12.33581713      6.91346312    -15.67511425
  O     12.46528038      7.82402616    -15.97076211
  H     15.28641473      5.50791834    -14.37639916
  H     12.89790704      7.81662111    -16.83372614
          69
 Energy    -248.61159763451590     
  O     -8.02755594     -3.74690964      6.17760266
  H     -7.38975902     -3.03912220      6.38600989
  H     -2.93650047      1.19188976      3.21667049
  O     -9.20120634     -2.28423600      2.65468817
  H     -8.13985362     -4.25514852      6.97654690
  H     -6.55197904     -0.74455131      3.72296077
  O     -7.77245536     -4.55717829      3.52339179
  H     -8.79095802     -3.13671995      2.84410319
  H     -7.84499095      0.06209604      4.09297004
  O     -4.75349125      0.61888270      0.63557378
  H     -8.53274576     -1.61114091      2.86122256
  H     -6.43439663     -0.85014660      6.91392063
  O     -6.71053197      1.03696341      7.06913346
  H     -7.96954979     -5.48957376      3.47194166
  H     -5.71559685     -1.74237541      5.88069330
  O     -4.75760071      5.12382358      2.13554182
  H     -7.82323448     -4.31342370      4.46193761
  H     -2.16979181      3.18365617      3.59909434
  O     -9.86661402      1.60008203      0.87154851
  H     -5.03821069     -0.24329538      0.31414439
  H     -0.75381585      2.65118908      3.26463879
  O    -10.01311208     -1.80740842      5.34659822
  H     -5.58382796      1.08468894      0.82907895
  H     -8.81195663      3.15662812      3.43107550
  O     -4.97358710     -1.55872305      4.27490366
  H     -6.18443914      1.46580425      6.37227823
  H     -9.51371056      1.98648090      4.13977521
  O     -3.41307470      3.13868339      0.82623350
  H     -6.57779487      1.54669341      7.86441397
  H     -5.81983081     -2.79926147      1.44308861
  O     -6.23966782     -1.73775461     -0.09185198
  H     -4.32146297      4.43791425      1.59911089
  H     -6.28971923     -3.76562509      2.56736726
  O     -3.74613536      0.66889247      3.24626333
  H     -4.68731343      5.93957129      1.64689089
  H     -9.29330105     -0.19094739      0.32982998
  O     -7.34420262     -0.32769635      3.36309889
  H    -10.53994632      2.08839567      0.40551816
  H     -9.15445250     -1.58553384      0.95430985
  O     -6.28899608     -1.76819607      6.66230945
  H     -9.87411475      1.92803682      1.78905992
  H     -8.31340643      0.84103846      6.08803246
  O     -1.67518956      2.55759984      3.04020892
  H     -9.98007364     -1.96756911      4.39414752
  H     -9.40492955     -0.12264336      5.49965901
  O     -9.60422282      2.60673431      3.40306823
  H     -9.43130661     -2.47304328      5.73096136
  H     -3.81359539      4.65416284      3.73796265
  O     -5.53221753     -3.26891219      2.23590829
  H     -4.38682022     -0.85424356      3.97075721
  H     -4.00344742      3.58936389      4.83176785
  O     -8.89229305     -1.05537519      0.18792970
  H     -5.04397620     -2.21647884      3.56614963
  H     -4.84803258      1.63962577      4.40197478
  O     -8.95779018      0.72933581      5.37961926
  H     -2.70032552      2.93296748      1.44445155
  H     -5.97350842      2.71498745      4.43589725
  O     -3.34899797      4.18240288      4.44162540
  H     -3.80341588      2.29077869      0.58079036
  H     -8.02235125      1.66905911      1.02752075
  O     -5.36186027      2.20892947      4.99075991
  H     -7.16420801     -1.44541895     -0.01480615
  H     -7.20626008      0.87467650      2.07502018
  O     -7.14392635      1.58700586      1.41651860
  H     -6.16911660     -2.17156096     -0.93933105
  H     -6.98245730      2.96066816      2.52859695
  O     -6.92213763      3.65764068      3.20123390
  H     -4.07224934      0.60551973      2.33720599
  H     -6.28411580      4.29589681      2.86001584
          69
 Energy    -248.61137722924684     
  O      3.06103258     -1.73281587      1.21951819
  H      2.65587297     -1.23735450      1.94401595
  H      6.11714230     -5.06981339     -1.12929404
  O      2.43665348     -0.09120489      3.32855397
  H      4.01361998     -1.56122308      1.29358765
  H      5.53109219     -4.37051312     -3.31334070
  O      9.24353178     -1.48037026      1.49477805
  H      3.09087336     -0.24102483      4.02151801
  H      4.52557986     -5.24716376     -2.54004050
  O      4.04604931      1.84668142     -0.33080775
  H      2.64139053      0.78054274      2.96604734
  H      3.59190722     -2.68256429     -3.64914807
  O      3.66360768     -4.39189235      0.78201976
  H     10.16159174     -1.22021703      1.49929866
  H      2.67458848     -3.47054676     -2.69606344
  O      5.77384705      1.52083643      3.39060508
  H      8.72340848     -0.66413904      1.59452838
  H      5.08430553     -1.24611273      4.84273687
  O      3.34169064      2.38596303      2.22285850
  H      3.71158798      1.03666285     -0.73990200
  H      4.61813329     -0.49966527      6.11206296
  O      7.54689196     -5.79493035      2.04812936
  H      4.98308995      1.88718518     -0.54929080
  H      6.62371500      0.77530213     -1.50735613
  O      7.46384778     -2.41589901     -0.46937362
  H      3.34342141     -3.49196454      0.93643850
  H      7.24322762      2.18424827     -1.64377802
  O      5.74139780     -1.35435788      1.46013364
  H      3.96398313     -4.73646843      1.63617006
  H      5.11882449     -4.26552740      3.53635235
  O      3.41047727     -0.69604314     -1.31574206
  H      4.97145268      1.90460121      3.01412302
  H      5.78103002     -5.49009025      2.89533136
  O      6.26467380     -4.86606802     -0.19362973
  H      5.47280731      0.90361046      4.06816893
  H      6.78422859     -2.87044213      3.98192174
  O      5.46028829     -5.16671109     -2.77302499
  H      3.55158173      2.21008115      1.28854076
  H      5.75116060     -2.17036198      3.08472563
  O      2.76462353     -2.62629894     -3.15599090
  H      2.87625830      3.21776475      2.24653209
  H      3.04425982     -4.89769881     -0.81019428
  O      4.65315872     -0.43497571      5.16109932
  H      7.15275575     -5.54009702      1.19722024
  H      2.10423595     -5.75956516     -1.68051180
  O      6.83874796      1.58687656     -1.01881582
  H      7.91446102     -6.66729636      1.92880246
  H      5.73726452     -1.96044771     -3.55644187
  O      4.92153020     -5.10776154      3.10528352
  H      8.19308906     -2.23622213      0.13711520
  H      5.79110022     -2.39953876     -5.03552741
  O      5.86569344     -2.56413399      3.96166248
  H      7.17930214     -3.33577021     -0.37234405
  H      5.14189965     -0.79338305     -1.82241354
  O      2.79909608     -5.10752869     -1.72706844
  H      6.20001618     -0.52007021      1.61208210
  H      6.58047614     -1.39885021     -1.60580311
  O      5.46513796     -2.65565891     -4.17604409
  H      6.25359813     -1.81262959      0.78337838
  H      7.07309489      1.15411272      2.27206042
  O      6.04965900     -0.81046437     -2.16537770
  H      3.05024162     -1.29358315     -1.98623093
  H      7.40047545      1.14450807      0.73444028
  O      7.62877946      0.75045363      1.58541277
  H      3.16743512     -1.05684436     -0.45173723
  H      8.22878997     -4.27096142      2.97194699
  O      8.40748889     -3.45157441      3.45165923
  H      5.39674847     -4.65783505      0.17933873
  H      8.74687393     -2.82016121      2.80648995
          69
 Energy    -248.61124173491783     
  O     13.38136929     13.04061351    -12.89485644
  H     14.00405543     12.85189028    -13.61662592
  H     15.52610464      5.95096078    -13.75112546
  O     19.40468568      8.79579464    -13.06989822
  H     13.36509732     13.98886709    -12.78928511
  H     18.97153260     11.34252318    -17.93192236
  O     16.43375635     10.32734696    -11.69716718
  H     19.07627253      8.79473307    -13.98182937
  H     17.58765413     10.77635903    -17.52730829
  O     11.21978649     11.44456640    -13.99805972
  H     19.31956238      9.70504684    -12.76434882
  H     12.67981977      9.31415085    -15.67810956
  O     13.48389526      8.30953342    -14.26606228
  H     16.19593506     10.11519245    -12.61418764
  H     11.81751069     10.57766403    -15.48035930
  O     14.22793577      6.32522060    -12.43794578
  H     17.27319170     10.79779912    -11.74612054
  H     16.57391785      9.40945118    -14.72773266
  O     18.28910637      6.47714161    -12.27627414
  H     11.23134690     10.71841284    -13.35887170
  H     15.04834213      9.19680578    -14.36906593
  O     15.09126512     12.35158553    -14.94767947
  H     11.85298425     12.08603269    -13.65634393
  H     13.30902232     11.08954418    -17.01809376
  O     16.30083917      7.24892828    -16.77044689
  H     13.75466573      7.51074877    -13.79770637
  H     13.47698367     12.16521821    -18.11997247
  O     16.15648132      7.68300243    -10.90471286
  H     12.89961977      8.76771773    -13.64386725
  H     13.83110501      9.43390834     -9.74320494
  O     16.11977279      9.95809127    -17.94486846
  H     13.41537945      6.34918951    -11.91964442
  H     14.73162488      8.18120147     -9.76150403
  O     16.29800334      6.05922924    -14.32083351
  H     14.88725795      6.80017780    -11.90957019
  H     18.41152060      9.62066941    -16.11788432
  O     18.42467672     11.13519913    -17.17909512
  H     18.96639101      5.85532085    -12.02420345
  H     17.71278330      8.22929169    -16.07901396
  O     12.28909792     10.05890868    -16.14991257
  H     18.74265859      7.30647305    -12.51326594
  H     16.96273910     12.66745724    -14.79719290
  O     15.80687189      9.79138295    -14.28785626
  H     15.33945510     11.44425135    -14.70735938
  H     18.17157937     12.14784097    -15.58808446
  O     13.95019682     11.69120239    -17.44205898
  H     14.70483323     12.29133833    -15.82993049
  H     19.45753259     12.18093860    -12.00411955
  O     13.88882654      8.52256080     -9.43169832
  H     16.26548676      6.56210059    -17.43189564
  H     18.55720838     11.92652599    -13.23424994
  O     18.21417744      8.86396879    -15.55090965
  H     16.22731533      6.79806850    -15.91004795
  H     14.77652095     10.79498872    -11.16500861
  O     17.91955977     12.54825901    -14.74702817
  H     16.91834580      7.19103967    -11.23511070
  H     13.62569274     11.75411269    -11.51512875
  O     18.86298121     11.54466605    -12.39227815
  H     16.31610926      8.60923029    -11.13767832
  H     12.56239879      9.90058917    -11.75359851
  O     13.83988241     10.97134906    -10.99213754
  H     15.96205024      9.08903552    -17.56124396
  H     11.77786582      8.55996025    -11.73487111
  O     11.90279568      9.37655061    -12.23174993
  H     15.32702558     10.49084971    -17.79997725
  H     12.66513668      7.49191003    -10.14826161
  O     12.05010635      6.98312972    -10.70796079
  H     17.04439134      6.16390465    -13.71846832
  H     11.44997698      6.53224709    -10.12047961
          69
 Energy    -248.61113790634761     
  O     14.05132402      9.06284782     -9.53775510
  H     14.64441630      9.82444807     -9.68610985
  H     13.40508175      6.35182288    -15.24479948
  O     14.74536257      5.19294411    -12.56116188
  H     13.52879241      9.26637015     -8.76682855
  H     17.47983708      6.45225663    -15.63755793
  O     15.76526145     12.11385888    -12.58841549
  H     15.05666807      4.71982694    -13.34942956
  H     18.66294934      5.58629292    -16.12627536
  O     17.83550554     11.01403168    -14.31602360
  H     15.39069072      5.03438108    -11.86179327
  H     16.39189197     10.64044345    -15.45599242
  O     10.89015163      8.05217090    -15.47102039
  H     16.49396088     11.85221097    -13.16133135
  H     14.87036431     10.54778625    -15.20597036
  O     16.48236413      7.53631748     -9.33396713
  H     14.95817445     11.89443359    -13.07188188
  H     15.90767185      7.75267992    -14.08921270
  O     12.56473357      6.64936893    -13.61890968
  H     18.66350545     11.45577160    -14.48751292
  H     15.46336259      6.85743546    -12.90384709
  O     13.58204506     11.00581731    -14.01430788
  H     18.03031914     10.28089951    -13.70849851
  H     17.32871104      4.38425127    -10.35317502
  O     13.31271563      9.94672436    -17.56602023
  H     11.30326861      7.49615942    -14.79907143
  H     17.58241586      5.44894220    -11.44583713
  O     15.62076138      4.20819797    -14.96637599
  H     11.22500964      7.74235831    -16.32194565
  H     17.28778684      8.54222757    -12.62828282
  O     16.19054370      7.64986156    -15.89468293
  H     16.53116073      6.69764559     -9.80715750
  H     18.26293075      9.19672848    -11.60193675
  O     13.88247294      6.16610622    -16.06585688
  H     15.58233386      7.87384807     -9.41678970
  H     18.70025258      7.08607024    -12.60287200
  O     18.05449017      5.70437247    -15.40075571
  H     13.12372372      5.99833409    -13.17385490
  H     18.52235271      5.90603396    -13.57312726
  O     15.56516243     10.32908917    -15.84540035
  H     12.72239992      7.47756948    -13.14254770
  H     17.65579475      8.77851935     -9.57020702
  O     15.76259718      7.74733094    -13.13430784
  H     13.46048196     10.30954785    -13.35154792
  H     18.89825507      9.58427726     -9.11464440
  O     16.92918682      5.12690070    -10.79909309
  H     12.76570305     11.04514150    -14.52616607
  H     12.68653976      8.34708729    -17.87722642
  O     18.16595596      8.94349781    -12.52954529
  H     14.16108369     10.13304426    -17.14616359
  H     11.97474745      7.34512764    -18.82039071
  O     18.67407716      6.12212193    -12.64448882
  H     12.64130512     10.35210238    -17.00173321
  H     15.78323986     11.47239458    -10.90490849
  O     18.24303707      9.52168369     -9.80384168
  H     15.00690129      4.72975451    -15.50165958
  H     16.70016476     10.68216533     -9.93797903
  O     12.27485863      7.46510925    -17.92386574
  H     16.49922576      4.56532604    -15.14272263
  H     11.10857264      9.79215292    -15.52403253
  O     15.80791803     11.02980826    -10.04364277
  H     15.37185057      7.15491463    -16.04914628
  H     10.50100599     11.20032706    -15.73344894
  O     11.32767622     10.73193296    -15.65614204
  H     15.99324436      8.59061086    -15.99562759
  H     14.32025151      8.58143176    -12.55625775
  O     13.45623313      8.90440094    -12.25294414
  H     13.33469751      6.49152928    -16.79090461
  H     13.51371242      8.95722510    -11.29132426
          69
 Energy    -248.61113179725317     
  O     16.21544236     11.55357676    -11.46739437
  H     16.92361472     10.97970089    -11.15223526
  H     12.26305771     11.41555637    -11.25897511
  O     16.53334649      5.67604267    -10.91867528
  H     15.67131687     11.75312868    -10.69545689
  H     15.50936024      9.74845021    -14.70058121
  O     13.07805954      4.64458660    -11.13637059
  H     16.19718944      5.14244306    -11.65013028
  H     16.12420651      8.55439379    -13.97515310
  O     18.11524488      7.36907663     -9.27040501
  H     15.82133825      5.73037260    -10.26457075
  H     18.19677847      8.89773047    -10.12365048
  O     16.19922367      7.29699647     -7.18790653
  H     13.77036471      4.51007465    -11.79542682
  H     19.11241746      9.79710277    -10.97739549
  O     14.58656136     12.05193787     -9.20900598
  H     13.52125543      4.92848195    -10.32798320
  H     15.07195142      6.18644727     -8.28305150
  O      9.70669597      8.18680835    -11.58632465
  H     17.55680445      7.35198175     -8.48269876
  H     13.85285107      6.61434383     -9.11772642
  O     14.85454587      9.47246838     -8.02312624
  H     17.76717431      6.67730708     -9.84773785
  H     13.42901536     11.13666621    -13.39058101
  O     13.61033747      8.32019438    -12.03403675
  H     16.28596385      7.30124188     -6.23881523
  H     13.01396031      9.90342994    -12.56461378
  O     10.69898734      5.55014886    -12.02740926
  H     15.76167215      8.13336652     -7.43493563
  H     11.52392059      6.43288712    -13.42928510
  O     14.58457075      6.30230147    -14.85011153
  H     13.69448634     11.92003872     -9.57742434
  H     11.49560282      7.79159679    -14.17990820
  O     12.15809904     11.61533678    -10.31964970
  H     14.56815971     12.88277519     -8.74122744
  H     10.07312838      9.91666018    -14.69822765
  O     15.77278357      8.83267551    -14.83413534
  H     10.01733862      7.27620425    -11.66799292
  H     11.25877781      9.98095510    -13.70560668
  O     18.20192995      9.66343896    -10.72460765
  H      9.88465157      8.61501329    -12.43220200
  H      9.73432123      9.57552761     -8.75501255
  O     14.49389986      5.89626694     -8.99887596
  H     14.12772639      9.03909193     -8.49216016
  H     10.12133217      9.05835141    -10.16205909
  O     12.67401089     10.72703438    -12.95009411
  H     14.87675087     10.37499741     -8.35729851
  H     15.02977104      5.09003642    -13.70684636
  O     12.03104239      7.00493900    -14.02010757
  H     13.21215249      7.76408323    -12.71403706
  H     15.43721934      3.61256976    -13.50939454
  O     10.54008643      9.41453435    -14.03573564
  H     14.57202377      8.27705242    -12.12754952
  H     15.54911658     11.56593013    -13.07600060
  O     10.45679272      9.52416506     -9.37464214
  H     11.53386411      5.22523977    -11.64480140
  H     15.48538862     12.31579030    -14.42483127
  O     15.20879115      4.40741225    -13.03490508
  H     10.11574828      4.79758121    -12.08309243
  H     12.01786377      8.51332527     -9.29199328
  O     15.12612290     11.56839009    -13.95425417
  H     13.64458624      6.49263763    -14.73060582
  H     13.10319553      8.17810890    -10.35361880
  O     12.86850566      8.07930355     -9.41763181
  H     15.01318286      7.15853393    -14.98628435
  H     16.47102014      7.24443876    -11.81371282
  O     16.37012354      8.11429601    -12.22238542
  H     11.53815739     10.96459985     -9.96948918
  H     16.97726277      8.70771026    -11.76655251
          69
 Energy    -248.61109692812994     
  O     -5.64179456      3.58824853      1.42051830
  H     -5.20183000      4.06098704      2.15039076
  H      1.20970054      2.56445165      4.57248874
  O     -3.75348494     -2.18098195      0.08761910
  H     -6.56703112      3.53573786      1.64249604
  H     -3.30740892      4.65932501     -1.87649606
  O     -0.11954876      4.55248962     -1.63271080
  H     -3.20573206     -1.85205557     -0.64559342
  H     -3.15312501      4.74357724     -3.41318931
  O     -2.33377508      1.69464860     -1.79756804
  H     -4.37229062     -2.79414643     -0.29843204
  H      1.25025881     -1.80081340     -0.86104636
  O      0.22893276     -0.59481061      4.57208872
  H     -0.98005451      4.50205079     -2.06935708
  H      0.35565443     -1.01522811      0.12324138
  O      1.36873656      4.95129270      2.40361814
  H      0.22612437      3.65337244     -1.60992082
  H     -2.29359365      2.44128429      4.53146903
  O     -1.55973032      3.36768903      1.65631161
  H     -2.52587744      2.52928639     -2.24058961
  H     -1.93986805      3.40220308      3.37196484
  O     -2.38837624      0.64619949      4.56242899
  H     -2.84206553      1.70848800     -0.97206154
  H     -2.09568842      6.58423359      1.24786863
  O     -2.10458409     -1.11868472     -1.83129152
  H      0.64449660     -1.14626336      5.22906857
  H     -2.98190124      7.80434994      1.59039300
  O     -2.92366608     -0.40277688      1.98345075
  H      0.74323837      0.23198192      4.52793699
  H     -4.40937532      2.32882620      0.90709212
  O     -0.08645348     -0.45949319      1.79197331
  H      1.50217913      4.07913990      2.01762990
  H     -3.48794663      1.06948198      1.13808157
  O      1.52569894      1.74316070      4.17566777
  H      1.08722365      4.79328830      3.31404936
  H     -3.78251799      5.65305261      2.80383692
  O     -2.78524320      4.33760154     -2.63284296
  H     -1.37431904      4.21567930      1.23533012
  H     -3.59132909      4.47667430      3.79847721
  O      0.59075527     -1.11297293     -0.81426629
  H     -2.29257825      2.93235352      1.20245313
  H     -0.54909801      1.72668615     -1.42273664
  O     -2.13793057      3.37415242      4.32166873
  H     -1.54839804      0.19434985      4.70322216
  H      0.64734830      0.77553124     -1.28280556
  O     -2.98907255      6.85277122      1.52603365
  H     -2.75134939      0.25945422      3.75461468
  H     -0.54907722      3.95485786      4.84362877
  O     -3.61618160      1.86888543      0.60732836
  H     -1.17652997     -1.20972108     -1.58616100
  H      0.39851711      4.69825442      5.81393387
  O     -4.25257121      4.96454649      3.29104412
  H     -2.24749763     -0.17280463     -1.96891962
  H     -3.83005661      5.85059249      0.14441195
  O      0.40570434      1.70850035     -1.25380855
  H     -1.96547782     -0.44257138      1.86599396
  H     -4.78137612      4.64843260      0.05057381
  O      0.37713586      4.20988566      4.99511402
  H     -3.29836918     -1.09319939      1.41593866
  H      0.90161377      2.07670887      0.48140093
  O     -4.19395375      5.20503599     -0.47345171
  H      0.04299204     -0.68096024      2.72370656
  H      0.00921880      2.60392272      1.61931005
  O      0.87154331      2.19270630      1.44061233
  H      0.22514641      0.44927851      1.68474272
  H     -0.38075350      5.49388051     -0.15089020
  O     -0.61721106      5.84081184      0.72243020
  H      1.48256250      1.88208209      3.22108338
  H      0.13033855      5.68250076      1.31722103
          69
 Energy    -248.61105150880405     
  O     13.51165869     10.36781531    -16.21015500
  H     14.00705205      9.66051770    -16.64500453
  H     20.00355815      6.90414147    -13.82642705
  O     16.66528042      6.58778320    -13.28904461
  H     14.14358742     11.07664406    -16.04371861
  H     18.28694644     10.77173003    -16.63313429
  O     18.14524525     10.39752374    -11.66058784
  H     17.23162722      6.86877703    -12.56040650
  H     17.28149146     10.89591355    -17.79736279
  O     19.25613061      9.41496556    -15.70404912
  H     16.63944513      7.32823995    -13.91585368
  H     16.36328018      9.47856781    -14.34360278
  O     14.44374054      5.68161147    -16.53590800
  H     17.94483325     10.76746908    -10.78845961
  H     17.56046200      9.00935906    -15.21683644
  O     14.96791253      9.73123852     -9.58641894
  H     17.38271416     10.58988267    -12.22515074
  H     12.47896518      9.69672881    -15.01276844
  O     14.34062936      6.71848095    -11.88356137
  H     19.70046030      9.69776750    -14.89379164
  H     11.04674180      9.51116453    -14.45430646
  O     15.92259796     10.81186812    -13.22641416
  H     19.46291788      8.47875109    -15.83052398
  H     12.60029946      7.46240717    -14.42411472
  O     15.96603180      7.04311345     -9.55778700
  H     13.93361557      4.98780513    -16.94557623
  H     13.33797376      6.49070689    -13.48815112
  O     19.61041702      6.62029842    -15.73652438
  H     13.93714796      5.97159940    -15.75605639
  H     19.60756086     10.24192888    -12.62674417
  O     17.19952971      5.33461439    -15.67610364
  H     15.24873367      8.81324019     -9.48389301
  H     21.05926602     10.67010712    -12.94520479
  O     20.19879665      7.20940387    -12.93298520
  H     14.44547971      9.76200873    -10.39677586
  H     18.10115922      8.58501763    -11.26072307
  O     17.60648216     11.34584254    -17.00369817
  H     14.68747090      6.68849888    -10.98527101
  H     18.94113481      7.34306426    -11.63968152
  O     16.67052024      8.77150369    -14.92538493
  H     15.11742202      6.59440914    -12.45337545
  H     16.37176479     10.77785033     -9.32194587
  O     11.95672105      9.26580860    -14.31188419
  H     15.11095718     10.43165640    -12.86103109
  H     17.08965476     11.90705317     -8.56121603
  O     13.02489132      6.59665012    -14.39491795
  H     15.70080465     11.42460970    -13.93922988
  H     16.00583806      9.23158231    -18.48259075
  O     20.37176963     10.06075320    -13.20109637
  H     16.20483988      6.51885450     -8.79737180
  H     16.00544974      9.89675901    -19.86806439
  O     18.15394354      7.62549355    -11.15016938
  H     16.78688185      7.20021360    -10.05430066
  H     13.96645692      8.50838442    -12.06651933
  O     17.20989836     11.26794347     -9.25757021
  H     18.75511728      6.15958757    -15.78737614
  H     13.04794839      9.48804218    -12.82231336
  O     16.50217267      9.83757563    -19.05599158
  H     20.22908389      6.09191114    -16.23500826
  H     16.29231658     11.97526843    -16.07652089
  O     13.75835568      9.44819442    -12.17006595
  H     16.33569658      5.38651876    -16.09854939
  H     15.45985182     13.22903278    -15.72096747
  O     15.52714461     12.29153133    -15.56156472
  H     17.03236493      5.56323718    -14.74935057
  H     15.70868595      8.46947961    -16.39483812
  O     15.15786291      8.31014231    -17.17735369
  H     20.41380499      8.14704506    -13.02032783
  H     14.86637394      7.39355002    -17.11434825
          69
 Energy    -248.61064521273116     
  O     -4.21384411      0.53613008      3.39661229
  H     -3.84586125      1.42607997      3.46127635
  H     -3.02049253      1.24572650     -1.79487462
  O      0.26407657      3.24380955      1.62031453
  H     -3.47384994     -0.07150176      3.25422033
  H     -5.22370263      3.93936759     -0.19924731
  O     -2.10775458     -1.13367008      2.80967889
  H     -0.61015339      3.40569445      1.22810162
  H     -5.24441657      4.51194997      1.22967980
  O     -4.72676261     -1.51080759     -2.23250169
  H      0.82103119      3.97071686      1.35227100
  H      0.74955210      1.39536139      1.54429699
  O     -2.69271196     -2.95395566     -0.79690488
  H     -1.78051884     -0.99032934      1.91024649
  H      0.33965270     -0.01951600      1.05715807
  O     -4.71470470      0.59646969      0.65708562
  H     -1.38031492     -0.91035203      3.40327848
  H     -5.95836926      4.73487992      3.63444690
  O     -8.05539910      1.06129975     -0.16027892
  H     -5.46649751     -1.57502769     -1.61275311
  H     -4.91302491      3.68575771      3.21330893
  O     -3.22475355      3.11585832      3.24693199
  H     -3.99981304     -1.99414036     -1.82260548
  H     -3.08076292      4.00875879      0.46411758
  O     -4.44900139      1.05653086     -3.04293281
  H     -3.13009970     -3.06964026      0.06652771
  H     -2.32536047      2.72495233      0.02306960
  O     -6.54200057     -1.34232296     -0.11050769
  H     -2.42256584     -3.82262678     -1.08391733
  H     -7.26786767      0.36404817      3.24837934
  O     -6.54109386     -2.79128332      2.31181217
  H     -5.18692463      1.35896188      0.29511619
  H     -5.87184227     -0.11083020      3.66743867
  O     -2.59625553      1.20815757     -0.93030848
  H     -4.64982824      0.66527304      1.61678148
  H     -0.48393389      1.66348057      4.37040031
  O     -4.77646019      4.56535948      0.39069499
  H     -8.04341499      1.34520918      0.76186148
  H     -0.28463751      2.86616331      3.43390979
  O      0.91585122      0.45308331      1.67284101
  H     -7.70896928      0.15867017     -0.17305464
  H      0.51605544      0.02634839      3.31287315
  O     -5.82820981      3.97855191      3.06589426
  H     -2.41351139      2.99071063      3.76135872
  H      0.82912843     -0.56187312      4.71153846
  O     -2.27741482      3.48828166      0.61507332
  H     -2.94290114      3.21687186      2.32746171
  H     -8.65005163      2.45624036      2.87168934
  O     -6.78885406     -0.40792049      3.56794659
  H     -4.50098688      1.11169609     -3.99295812
  H     -7.14039476      2.71323817      2.71135922
  O     -0.74398224      2.58244363      4.23508457
  H     -4.56575021      0.11720034     -2.80892496
  H     -3.25653300     -2.53718940      2.23305356
  O      0.13773316     -0.16046850      4.19224534
  H     -5.85054788     -0.72224400      0.17265560
  H     -4.69729954     -3.03985512      1.94025520
  O     -7.84169081      2.06573947      2.54400255
  H     -6.65259852     -1.96008072      0.62103500
  H     -1.51928911     -0.06938160     -0.27791185
  O     -3.77486527     -3.13042548      1.67448169
  H     -7.09616357     -3.44806920      2.72323923
  H     -1.51817234     -1.60845996     -0.20857510
  O     -1.11718101     -0.82128560      0.18044847
  H     -6.67666043     -1.96121669      2.80334503
  H     -6.76606076      2.06772645     -0.88491330
  O     -5.91308963      2.49922699     -1.04639391
  H     -3.28929603      0.89553720     -0.32375177
  H     -5.49540193      2.06421252     -1.79953500
          69
 Energy    -248.61045034355163     
  O     11.12714718     10.68878785    -11.22798367
  H     11.97119385     11.05378977    -11.52651815
  H     18.25227536      7.81512618    -16.63476167
  O     13.50731374      8.26921444    -15.41841962
  H     10.58311311     10.58120402    -12.01743461
  H     16.15282642     11.99592809    -14.34037677
  O     17.87490891      9.03152396    -10.25311031
  H     13.26376256      7.56053831    -14.80705230
  H     14.86657709     12.45214183    -15.05005976
  O     17.74171978      9.48870490    -17.23937790
  H     12.98452960      9.04624406    -15.17530559
  H     16.26433449      9.49730271    -14.20912785
  O     12.24461451     10.63342187    -14.64811194
  H     17.84226366      8.06758099    -10.39822165
  H     14.99632021      8.60447620    -14.43958055
  O     15.23477464      5.03946656    -10.54425343
  H     18.36108781      9.17495595     -9.44586816
  H     11.12383047      9.14460373    -10.43323751
  O     13.02655434      6.41928209    -13.40837670
  H     18.09342953      9.93120797    -18.00757341
  H     10.56028831      8.23163259     -9.31788026
  O     15.27456026      9.38019214    -11.25245490
  H     16.77021727      9.51099144    -17.32004221
  H     17.96800182      6.67923182    -14.58469641
  O     15.05587842      9.63037108    -17.32289177
  H     12.72449296     10.84906810    -13.83435233
  H     16.90626278      7.40839284    -13.71804682
  O     15.33011705      4.89544826    -13.41612953
  H     11.33315250     10.43303191    -14.40225752
  H     10.58660822      7.54492106    -11.84413009
  O     17.50032841     10.75887328    -14.70018768
  H     14.88747409      4.40585176     -9.92184252
  H     11.22821144      6.94503604    -13.11412029
  O     18.47864381      6.94180702    -16.28229929
  H     14.62172418      5.79413694    -10.55040775
  H     18.67569604      9.31182532    -11.98506868
  O     15.32260892     12.47148052    -14.20112538
  H     13.20840714      6.77653459    -12.52864760
  H     18.76520952      8.36573425    -13.18839650
  O     15.75166883      8.75619833    -13.85951013
  H     13.74069725      5.78633747    -13.57102163
  H     16.91301699      5.89012166    -10.68288785
  O     11.09757163      8.22729664    -10.10519655
  H     15.44400029      9.14456326    -12.17939468
  H     17.75694488      6.40484726    -11.86714420
  O     17.59339339      6.72339115    -13.69364773
  H     16.13106199      9.38251158    -10.80903400
  H     13.17134712     12.65943956    -17.00513140
  O     10.44680066      7.41098986    -12.78987937
  H     14.52538862      9.00301304    -16.81423463
  H     13.08430646     11.56139892    -15.92113085
  O     18.95687538      9.26662768    -12.90741877
  H     14.64752529     10.49228386    -17.17432049
  H     12.76590044      7.55542860    -10.43076358
  O     17.69037967      6.41747749    -10.90228488
  H     16.13297445      5.38616361    -13.62452891
  H     14.19405054      8.02154406    -10.85482397
  O     13.68772668     12.00425292    -16.54229211
  H     15.34210536      4.77908600    -12.45731558
  H     14.23509433     11.87044547    -12.90079216
  O     13.61867590      7.24792772    -10.76164424
  H     18.12229260     10.35644802    -14.07416060
  H     14.17738075     10.72942766    -11.85491771
  O     13.62932730     11.35675806    -12.34446253
  H     17.70729677     10.41537059    -15.57726762
  H      8.85312583      9.91820287    -13.90941031
  O      9.76876611      9.88923091    -13.64688556
  H     18.54027804      6.36087437    -17.03724582
  H      9.96470284      8.96567794    -13.40488667
          69
 Energy    -248.61043085405009     
  O     13.60988555      2.71218667    -11.08464599
  H     13.69456181      1.76560712    -10.91482117
  H     13.33788042     10.64200000    -10.38532706
  O     12.67587066      2.99817316    -13.71057029
  H     13.29964438      2.79334519    -11.99867228
  H     14.08145777      6.99724716    -12.57782724
  O     16.39779081      3.19040207    -11.23034834
  H     11.93734419      3.59770359    -13.55108261
  H     13.67928044      5.79344500    -11.68084132
  O     17.69927381      6.23595556    -13.49353293
  H     13.37981762      3.52992932    -14.11140354
  H     11.70857737      5.15517905    -11.35711997
  O     11.89892281      6.92877984    -14.67310534
  H     16.61625730      4.09375991    -10.96545754
  H     12.72605692      4.28027771    -10.57632676
  O     13.98111439      0.50067918    -13.89027902
  H     15.43933203      3.09542329    -11.14836339
  H     16.87652075      0.03138745    -15.12904097
  O     14.16111452     -0.05033122    -11.06671587
  H     17.48460131      6.15650991    -12.55175590
  H     15.67935790      0.61071824    -14.34005638
  O     17.76901525      9.10575176    -12.79811550
  H     17.72573390      5.33084828    -13.82099592
  H      9.88088804      5.05957101    -13.15287271
  O     16.31954771      9.63887590    -10.45419299
  H     12.50954064      6.78051639    -15.40307920
  H     11.18644653      5.72636718    -13.64325560
  O     14.74492173      4.61650659    -14.54182910
  H     12.31470128      7.62610490    -14.14499907
  H     15.88811977      6.04041650    -11.35967772
  O     15.84788668      8.09551160    -14.65396953
  H     13.92363054      0.20060842    -12.97474487
  H     16.69213516      6.38436158    -10.07750064
  O     13.65866678      9.80413618    -10.70752144
  H     13.41909689      1.28415863    -13.94687261
  H     16.92950920      3.34075694    -12.97738114
  O     14.36456020      6.12526769    -12.27425351
  H     15.12467683      0.03723753    -11.18225023
  H     17.09766664      2.49248403    -14.24995866
  O     12.34857091      5.17021718    -10.63281030
  H     14.01615625     -0.82358955    -10.52880625
  H     16.82221066      1.37891175    -11.34488120
  O     16.64223577      0.67891920    -14.46952826
  H     17.11960093      9.13960364    -13.51147504
  H     16.89793072      0.42036327    -12.54610723
  O     10.82862399      5.04416671    -13.04658349
  H     18.17518684      8.24036453    -12.91130332
  H     14.40633196      5.76524599    -15.83123549
  O     16.73732313      5.90072503    -10.91001192
  H     16.47393224      8.93054912     -9.81894979
  H     14.29905708      6.23025145    -17.30351568
  O     17.13110229      3.40038280    -13.92358178
  H     16.89499400      9.47733091    -11.21458609
  H     13.41102634      8.14702381     -9.70627484
  O     16.78226656      0.44281002    -11.58858709
  H     14.62662599      5.17083087    -13.75434422
  H     13.02890676      6.64665368     -9.56746020
  O     14.18749934      6.52248355    -16.40245649
  H     15.59142375      4.16223150    -14.43993507
  H     15.24888899      7.35454664     -8.74780085
  O     13.54506670      7.35662986     -9.16829510
  H     16.44279841      7.41650147    -14.30156445
  H     16.38992124      7.38660815     -7.70125953
  O     16.21544853      7.41147864     -8.63789977
  H     15.35709944      7.68280068    -15.37404090
  H     13.57620438      9.12991949    -12.39572655
  O     13.52848815      8.60839472    -13.20680721
  H     14.62981442      9.81774068    -10.61343352
  H     14.37855543      8.64739816    -13.66867557
          69
 Energy    -248.61032559827834     
  O     -1.63824128      4.92309152      4.47388506
  H     -1.31391736      4.26165202      5.11195522
  H     -0.59956020      1.27918788      3.56660593
  O     -2.82182462      3.31390134      2.45792472
  H     -1.93659416      5.67174525      4.98299848
  H     -2.77285170     -1.18867101      1.82849205
  O     -0.48024901      3.07924395      6.11117995
  H     -2.09821693      2.67046279      2.50686309
  H     -3.67962897     -0.26484508      2.66368732
  O      0.85028050     -3.33368045      1.68644218
  H     -2.61287610      3.97448355      3.12677949
  H     -1.14253004     -0.30622596      5.20975265
  O     -0.08376991      0.47728111      0.37934388
  H     -0.57238153      2.13890903      5.90843349
  H      0.34314994      0.02720067      4.94754866
  O     -2.25757628     -1.17306288      0.01379304
  H      0.46454268      3.26703487      6.04246589
  H     -0.57818951     -2.86916941      4.69029271
  O     -4.65833549      1.18638157      2.19171300
  H      0.64353474     -3.38160635      2.62640457
  H      0.31920672     -4.07121611      5.06361733
  O     -4.10775254      0.74160931     -0.60786237
  H      1.38698864     -2.53935890      1.56904755
  H     -0.98087033     -4.45331518     -0.65795870
  O      0.03457543      2.84728022     -1.12365559
  H      0.02156148      1.18828525     -0.26326240
  H     -0.43931688     -3.60280829      0.50267886
  O      2.07725429     -0.77523387      1.53791368
  H     -0.28604002      0.90614708      1.22689255
  H      2.66864291      2.83546441      5.12212337
  O     -2.09492161     -1.93482236      5.00095623
  H     -1.96041986     -2.08434046     -0.11616542
  H      2.91242770      4.10410509      5.97270728
  O     -0.54129463      1.76358946      2.73348074
  H     -1.46381242     -0.62439291      0.09766849
  H      4.64107297      1.62069457      1.14194745
  O     -3.07244788     -1.01534705      2.72771346
  H     -4.63148318      1.07482184      1.23330565
  H      3.19412972      2.15401413      1.26476644
  O     -0.51162546      0.42172128      5.17387233
  H     -4.16022084      1.99492673      2.37057383
  H      1.41805567     -1.77567874      4.48979556
  O      0.28448894     -3.28341495      4.52640003
  H     -3.48871404      0.01030900     -0.43909812
  H      1.85215381     -0.84188273      3.33798726
  O     -1.16937007     -3.67912841     -0.13508011
  H     -4.72325343      0.43145275     -1.26697427
  H      2.88494608      0.58780519      4.50098037
  O      2.24740259      3.64276290      5.46934296
  H     -0.88914101      3.00617826     -0.85610639
  H      3.57014237      1.47787385      3.44426372
  O      3.80404091      1.45731894      1.56824536
  H      0.09443232      3.07722363     -2.04682188
  H      1.35334740      4.11412402      3.91757023
  O      1.77324144     -0.89886664      4.30242489
  H      2.77642272     -0.11252195      1.48456485
  H     -0.03119451      4.63578712      3.46641926
  O      3.32733960      1.43738435      4.37765573
  H      1.31919694     -0.39740588      1.06745958
  H     -2.68770039      3.33673094      0.59005541
  O      0.78620116      4.23654651      3.14387196
  H     -2.46417750     -1.63441913      4.14739379
  H     -3.09470226      2.33855991     -0.51146254
  O     -2.53263279      3.10336957     -0.33453273
  H     -2.83691696     -2.13102798      5.56596424
  H      1.64096277      3.81948594      1.55451119
  O      2.06949117      3.38630364      0.80423887
  H      0.01034906      2.54256886      2.88088213
  H      1.39110674      3.27303264      0.12798851
          69
 Energy    -248.60997744598717     
  O     14.38549392      6.20363100     -8.65288366
  H     14.58173823      7.14651843     -8.60362200
  H     12.15497450      7.23863751    -14.41911342
  O     14.84282940      6.46028493    -16.38050043
  H     15.16734865      5.79739455     -9.04648113
  H     16.53072344     10.50544943    -12.93988394
  O     18.16817121      7.86594770    -14.22896150
  H     14.46685129      6.05153500    -17.15625930
  H     17.23163030      9.14457457    -13.32221947
  O     15.90219359     12.11729895    -13.50853228
  H     14.10523131      6.85307653    -15.88443538
  H     13.88454040      8.55337939    -11.89877395
  O     10.97968781      6.54174064    -13.29042447
  H     17.63736788      7.05508891    -14.25964980
  H     15.22073055      8.63624623    -12.67432191
  O     18.43641079      4.76708546    -12.21245053
  H     18.80453937      7.74282185    -13.51489076
  H     12.73095392      5.92477840     -9.32044560
  O     12.28241392      4.28597252    -12.12346921
  H     15.67030930     11.83545087    -14.41399234
  H     11.97088831      5.19682225    -10.45895497
  O     17.30483160      8.28735475    -10.31565032
  H     16.28466133     12.98719416    -13.57755170
  H     20.37797310      7.62944124    -11.36777981
  O     13.23833840     11.38921692    -12.67720049
  H     11.31715491      5.70548701    -12.94379576
  H     18.85301379      7.71826034    -11.15162170
  O     15.15162799     11.15424113    -15.88417037
  H     10.82075683      7.10002286    -12.51978540
  H     14.57535260      6.37797644    -12.32512819
  O     12.47079271     10.35729944    -15.26661854
  H     18.95587729      5.57496399    -12.11451645
  H     15.35592186      5.35088488    -11.47129281
  O     12.92398284      7.67296421    -14.81749494
  H     17.94786004      4.86774523    -13.03816272
  H     15.97754356      8.01098939    -16.47873606
  O     16.72172700      9.60752094    -12.64317266
  H     12.32320099      3.34234890    -12.25411520
  H     17.23475395      8.54630310    -15.77201557
  O     14.41240523      8.11664408    -12.57870315
  H     13.19387069      4.61944490    -12.19183454
  H     16.06335993      5.73920349    -15.11448486
  O     11.87045949      5.85152089     -9.75892472
  H     17.11453437      8.80514020    -11.11372037
  H     15.94818428      5.44121167    -13.60964843
  O     19.53872142      7.40156813    -11.76105597
  H     16.63023191      8.55240766     -9.67848088
  H      9.86656511      8.17073230    -10.43060837
  O     14.75583993      5.43083693    -12.22468517
  H     12.89689477     11.08456795    -13.52669568
  H     11.10965636      7.24849410    -10.36600094
  O     16.51876856      8.80105429    -16.36604771
  H     14.12166864     11.73080439    -12.86053166
  H     16.87857580      6.45460943    -10.23017190
  O     16.58909774      5.56442849    -14.32447847
  H     15.64239066     10.35438493    -16.12639128
  H     17.30829643      5.08183498    -10.79190943
  O     10.72960538      8.03021920    -10.81102409
  H     14.22341449     10.90399428    -15.81228752
  H     14.31434879      9.25589419     -9.43575078
  O     16.65951640      5.51282509    -10.21709441
  H     12.56873791      9.39550659    -15.17916021
  H     14.91247706      9.58465412     -8.05072821
  O     15.01764730      9.01494928     -8.80912679
  H     11.65163624     10.50847438    -15.73197093
  H     12.18897306      9.13535052    -10.67692704
  O     13.04826253      9.57627988    -10.64699306
  H     13.51456829      7.88065906    -14.07645599
  H     13.05111628     10.29683930    -11.29735535
          69
 Energy    -248.60997446370521     
  O     12.57851841      8.90217215    -16.57759003
  H     12.10405647      9.09126483    -17.38229099
  H     11.76625453      3.23810714     -9.92876316
  O     11.38706544      9.21305210    -10.60167671
  H     11.92699768      8.55612313    -15.93911345
  H     12.18948282      6.62631672     -9.59727209
  O     15.52110275      7.00952054    -10.82624348
  H     11.21057921      8.28514648    -10.40655787
  H     11.14570690      5.50800873     -9.78822461
  O     15.37800339      2.83792251     -9.42696474
  H     12.07532802      9.49691416     -9.98743525
  H     16.93867631      5.32347240    -13.08616332
  O     13.50787813      9.88643743     -8.82600574
  H     15.82910073      6.10995582    -10.98996842
  H     16.52315883      5.25323268    -14.55567230
  O     13.30603220     10.87684622    -14.60074414
  H     15.02929356      7.26393645    -11.62045164
  H     14.31665994      7.52591571    -13.99337491
  O     10.99867524     10.36215104    -13.00755877
  H     14.83025090      3.40089218     -8.85057000
  H     14.44153827      8.72581921    -13.03435166
  O     16.04944339      4.43085496    -11.64099292
  H     15.84033976      2.22983031     -8.85668822
  H     11.08165963      7.32374103    -14.08513885
  O     12.96150415      2.48406081    -10.96038790
  H     13.58465538     10.58593510     -8.18321991
  H     10.81450567      8.84091597    -14.09391980
  O     15.55338840     10.23217289    -13.19555072
  H     14.29448582      9.94269070     -9.39867401
  H     17.93696289      8.55888603    -15.14104812
  O     13.67976659      4.37463668     -7.96972732
  H     12.54525324     10.78691276    -14.01125765
  H     17.13968688      7.46385560    -14.39893502
  O     11.20237822      3.70817087     -9.28842893
  H     13.11042701     10.31295624    -15.35740289
  H     14.39529598      7.00039334     -9.44477968
  O     11.36527080      6.40849952    -10.05710942
  H     11.15552527      9.95403408    -12.13737184
  H     13.63445131      8.01146791     -8.55865445
  O     17.08331527      5.74418903    -13.94272269
  H     10.29401585     10.99327817    -12.88506420
  H     15.84934697      8.85266171    -10.48171168
  O     14.13071287      7.81385676    -13.09180462
  H     15.22538257      4.32911029    -12.14049733
  H     15.69386587     10.11348637    -11.35261031
  O     10.87252153      8.06489797    -14.66756322
  H     15.97197602      3.84850017    -10.87530766
  H     12.65107460      6.88861202    -12.83182711
  O     17.07355263      8.35331976    -14.79121887
  H     13.15253596      2.93706339    -11.79261747
  H     11.63250567      6.25486509    -11.85539318
  O     13.73661180      7.06955334     -8.73660244
  H     13.79897830      2.44595977    -10.48264106
  H     14.01625548      7.88834804    -16.18605049
  O     15.67828888      9.80272706    -10.43733436
  H     14.84309897     10.59883385    -13.74580674
  H     15.50793276      7.79248432    -15.68391175
  O     11.92414999      6.24770876    -12.77642858
  H     16.13569352      9.70774089    -13.75825729
  H     14.81735714      5.53982862    -15.77931998
  O     14.69711927      7.29232287    -15.84607562
  H     12.78955365      4.13914897     -8.25803514
  H     15.01351850      4.14896954    -16.42996231
  O     14.99161563      4.60132689    -15.59061076
  H     13.74718993      5.33295165     -8.07823017
  H     13.01606816      4.81465179    -13.04686988
  O     13.68181546      4.11688808    -13.13088116
  H     10.50842333      3.10415966     -9.03875832
  H     14.05128767      4.17655093    -14.01966978
          69
 Energy    -248.60991587846146     
  O      4.91864906     -4.20645766     -1.62901522
  H      5.70393010     -4.40865238     -2.13018543
  H      1.15122105     -7.68870604      1.06676484
  O     -0.99984895     -0.25040893     -2.13437995
  H      5.21307279     -3.92376214     -0.74392265
  H      1.85459275     -5.54741215      2.22517604
  O      0.05985196     -4.92118321     -1.35977477
  H     -1.50831246      0.06038988     -2.87830142
  H      3.25583924     -4.86303435      2.38403756
  O     -0.16903369     -3.78798326      3.38228379
  H     -0.56940820     -1.07816471     -2.41531466
  H     -1.67004693     -2.92415853      0.66329384
  O      4.14386783     -0.94312593      1.23125339
  H      0.98651990     -5.17365762     -1.25009497
  H     -0.78512637     -4.07812929      0.10203613
  O     -1.78803911     -6.46861806      1.45565916
  H     -0.44050818     -5.74435163     -1.41158862
  H      3.94370684     -1.31857491      3.07569808
  O      0.29154607     -2.52335229     -2.80788828
  H      0.01653239     -4.72331556      3.48099877
  H      2.80693195     -1.67242570      4.06977027
  O      3.65014734      0.40074440     -1.21147673
  H     -0.58351964     -3.70180716      2.51020378
  H     -1.76878462     -0.85614294     -0.49367411
  O      2.92338790     -2.23735904     -1.93393344
  H      3.34742764     -1.48644758      1.12166445
  H     -1.26653939     -0.84600926      0.95779487
  O      1.90524074     -2.50296078      0.68333633
  H      4.13364632     -0.33023962      0.48793944
  H      0.55166959     -2.34038491      4.03662581
  O      0.38803279     -0.48447315      1.75724300
  H     -1.82584604     -5.51507224      1.28565465
  H      0.51728988     -1.28379162      5.16517922
  O      1.25652013     -7.99051003      0.15978325
  H     -1.75253117     -6.88862506      0.58804242
  H      0.41131321     -7.31859367      3.53708990
  O      2.52604628     -5.02439400      1.77171967
  H      1.23710514     -2.39265104     -2.65361483
  H     -0.34451086     -6.63968747      2.36483754
  O     -1.33039480     -3.81049083      0.85252740
  H      0.08248414     -3.37335529     -2.40035304
  H     -0.27695804     -7.79905136     -0.71436528
  O      3.74000401     -1.82445273      3.87354085
  H      4.02900025      1.14598994     -1.66853365
  H     -1.39586408     -8.19861724     -1.70740022
  O     -1.96660364     -1.19390232      0.38808470
  H      2.72711009      0.63879290     -1.00156059
  H      4.34951567     -3.41707758      3.63528975
  O      0.95623717     -1.51118291      4.34951050
  H      3.66255388     -2.85742798     -1.93783390
  H      5.20565288     -4.62065459      4.10156405
  O      0.51200254     -6.68665112      2.82976751
  H      3.27212521     -1.34974577     -1.77789105
  H      0.85183292      0.59279584      0.30355992
  O     -1.11445857     -7.50639011     -1.11555263
  H      2.03550780     -3.37533562      1.07420520
  H      0.37234926      0.59614157     -1.16122485
  O      4.66520549     -4.30493348      3.38317151
  H      2.13484453     -2.54072480     -0.25415913
  H      2.71264776     -5.52435900      0.10122478
  O      1.08614118      0.89547244     -0.58399631
  H      0.53150200     -0.61118865      2.70021308
  H      3.46442566     -5.36613985     -1.23781348
  O      2.69804557     -5.78633011     -0.83364428
  H      0.83825530     -1.23110561      1.32898062
  H      5.23284031     -2.42313561      0.93933369
  O      5.59322552     -3.31452729      0.83218772
  H      1.86305209     -7.36365624     -0.26071028
  H      5.42984264     -3.75647936      1.67214470
          69
 Energy    -248.60937807061819     
  O     11.87512244     10.66471619    -14.38257289
  H     12.46082003     11.42901044    -14.34470471
  H     18.29616200      7.38436221    -13.77720538
  O     17.13184889     10.17291859    -10.91813467
  H     12.20004653     10.12021550    -15.11359669
  H     15.11486237     11.34048587    -17.22899479
  O     17.59754041     10.73850973    -15.45495380
  H     16.69325141      9.99337444    -10.07406255
  H     16.20909431     11.68727284    -16.20252362
  O     12.85479442      6.29582987    -15.81353394
  H     16.43159609     10.49056082    -11.50698493
  H     14.61285469      9.22457998    -15.21488682
  O     15.50722350      9.39150287     -8.82382772
  H     18.02635711     10.78938612    -14.59126713
  H     16.11660714      9.64143832    -15.04085154
  O     14.62896682      6.94459946    -11.38483583
  H     18.14291182     10.15416101    -15.99761312
  H     10.21495647      9.19809151    -12.14926566
  O     15.04375041     10.87110675    -12.59203841
  H     12.28234595      5.59853169    -16.12018980
  H     11.37003471      9.67505682    -13.06298264
  O     16.59934763      7.93001717    -17.76705537
  H     12.68604300      6.40170816    -14.85797440
  H     17.81427050      6.99305796    -11.47488675
  O     16.06520852      6.56090083     -8.97174918
  H     15.64545611      8.44659935     -8.68670535
  H     17.77494351      8.36532562    -10.77488238
  O     19.10023647      8.71857673    -16.72896627
  H     14.69006006      9.46133076     -9.33622871
  H     11.95252449      7.45223048    -12.89885517
  O     15.65645449      6.50223565    -15.51890418
  H     14.27383802      7.82794579    -11.21202038
  H     13.21694984      6.62816238    -12.57253470
  O     19.00043908      7.91978829    -14.16287627
  H     15.00386015      6.64778225    -10.54649966
  H     18.34854547     10.43884847    -12.16396894
  O     15.34542403     11.96928753    -16.53603925
  H     15.14528132     10.16407779    -13.24800967
  H     19.71795226     10.96669153    -12.63489839
  O     15.39723369      9.12140163    -14.65809549
  H     14.68008917     11.62447035    -13.07048725
  H     16.09468166      6.65376017    -12.49489048
  O     11.14159877      9.07092544    -12.33305449
  H     17.50422668      8.16415858    -17.52707094
  H     16.53655962      6.18396028    -13.89031336
  O     18.02064827      7.44044203    -10.64368900
  H     16.30178853      7.30804789    -17.09023840
  H     15.45411186      9.14710204    -18.21342332
  O     12.47713474      6.69647490    -13.18983876
  H     16.34409872      5.88851985     -8.35671321
  H     14.69006464      9.89015240    -19.33555556
  O     18.92961428     10.52253209    -12.93823275
  H     16.85259660      6.81554649     -9.48639629
  H     12.59964510      9.33554800    -11.19664548
  O     16.87614908      6.42630621    -13.01950472
  H     19.10623174      8.33358333    -15.83264214
  H     13.96409326     10.03145618    -11.40978619
  O     14.77447077      9.82337657    -18.38836343
  H     19.98172108      8.62062934    -17.07764617
  H     13.75303305     13.66040936    -14.39036441
  O     13.47924634      9.44098553    -10.81483292
  H     14.73574656      6.25359426    -15.66507145
  H     14.37347883     12.48406119    -15.17851329
  O     13.87794113     12.71536869    -14.37261910
  H     15.62954125      7.38960028    -15.12307727
  H     13.55245256      9.28180347    -17.11578044
  O     13.10200506      9.06166316    -16.29025237
  H     19.04337294      8.72899206    -13.63944766
  H     12.96982936      8.10508645    -16.25630501
          69
 Energy    -248.60934391744948     
  O     -5.05945756      3.33146913      2.79132380
  H     -5.26339996      3.88674048      2.02694814
  H     -0.40174125     -0.74145987     -4.10320334
  O     -1.49608513      4.45503303     -2.28805052
  H     -4.47592168      3.85714400      3.35276497
  H      0.07571368      3.85318070      4.39967146
  O     -3.18859491      0.81421640     -0.95871004
  H     -1.31351929      4.79554111     -3.16029219
  H     -0.74521609      2.52614154      4.58325594
  O      1.77786932     -0.37864932      3.56815675
  H     -1.17854988      3.53567544     -2.27125313
  H     -3.84068901      5.83212507      1.21321142
  O      1.71915753      5.20922491      1.51131126
  H     -3.34671090      1.01891657     -0.02595331
  H     -3.04995674      5.82594636      2.53497061
  O     -1.08097888      3.00737669      1.64623152
  H     -2.77163789     -0.06073353     -0.97269894
  H     -4.05624672      2.03993532      2.10930913
  O     -0.61174325      0.77094373      4.66567238
  H      2.40312117     -0.90526573      4.05940069
  H     -2.57161859      2.03754377      1.65094188
  O     -2.40222117     -0.69985252      3.00052406
  H      2.19959421      0.48617128      3.41829290
  H     -3.30689829      5.35025414      5.05890817
  O     -0.03519165     -1.02985889      1.49822834
  H      2.16342933      4.49762555      1.03453833
  H     -2.32327794      4.40786014      4.33433775
  O      2.86847285      2.06742991      3.17031320
  H      0.88807985      5.38038207      1.04776170
  H     -1.68953751      1.49352875     -1.70738695
  O     -4.07441343      3.47838469     -1.44766308
  H     -1.03102282      3.85320846      1.18184892
  H     -0.21804298      1.68181734     -1.28151498
  O     -0.15531359     -0.66382704     -3.18379369
  H     -0.93953935      3.17411106      2.58674062
  H      2.24339374      5.18019230      4.62267895
  O     -0.81120964      3.47183014      4.37588232
  H     -1.29847264      0.25572561      4.22497530
  H      1.73445176      4.84885749      3.19847822
  O     -3.03423479      6.16109007      1.63031305
  H      0.22291865      0.37330521      4.39038149
  H     -6.11088931      5.31979997      0.08190669
  O     -3.36452347      1.48554093      1.72203141
  H     -2.82384336      0.05313547      2.55132739
  H     -4.91221027      4.39557490     -0.22915017
  O     -3.13973696      4.92218852      4.22258365
  H     -3.08335153     -1.35126533      3.14571447
  H      0.04759353      1.97239029      0.80736719
  O     -0.83126365      1.82243824     -2.01724577
  H      0.66046829     -0.93396852      2.16218095
  H      0.45300221      0.49226674      0.60584198
  O      1.75713757      4.53189379      4.12050500
  H     -0.86823391     -0.96874543      1.98651408
  H     -1.07079377     -1.36296766     -1.68782876
  O     -5.32590109      4.93797629      0.46540730
  H      3.01965983      2.32087299      2.25149721
  H     -1.01563325     -1.47305689     -0.14842297
  O      0.62138777      1.38755437      0.28695143
  H      2.53221313      2.85856675      3.60736181
  H      2.13132654      2.27475047      0.30624357
  O     -1.62088187     -1.45927359     -0.89827177
  H     -3.26047427      3.87819229     -1.77526315
  H      3.51677272      2.63398595     -0.28232182
  O      2.91395119      2.84033969      0.42706836
  H     -3.90404385      2.53052394     -1.37963520
  H     -1.03222919      5.19130147     -0.62208421
  O     -0.79648201      5.40267735      0.28855478
  H     -0.33976206      0.25467910     -2.93726666
  H     -1.57393813      5.79317951      0.71973394
          69
 Energy    -248.60906219540212     
  O     13.16209672     10.86685634    -10.63215907
  H     12.24843774     10.80033329    -10.32772509
  H     14.23106055     14.46757577    -17.11340683
  O     10.88198639     13.03605360    -15.14451232
  H     13.30333892     11.80207890    -10.83647847
  H     14.52877346     13.78439168    -10.89036481
  O     13.02331810      9.24418366    -12.93099285
  H     11.13482656     13.51566636    -14.34196411
  H     14.06156266     13.12988706    -12.20095926
  O     18.35433977     12.18532924    -14.49981414
  H     10.13204333     12.47913511    -14.89910710
  H     13.94795538     15.97141399    -14.29533273
  O     10.39415459     10.87067513    -10.10822453
  H     13.14251433      9.75822262    -12.12084633
  H     13.24298667     17.34486293    -14.20040398
  O     10.18927226      9.42580681    -12.57462231
  H     12.86484731      9.88036174    -13.64895561
  H     14.03085746     12.00625664    -14.16918804
  O     12.78171741     11.03271496    -14.95411367
  H     18.14662811     12.93644949    -13.91617888
  H     15.39656285     11.81714444    -13.44946866
  O     16.36494089     13.74146042    -10.33787332
  H     19.29485866     12.21041366    -14.65543300
  H     16.09509674     12.77361960    -16.91797531
  O      8.92769858     11.35147146    -14.03729966
  H      9.86293984     10.82960378     -9.31765071
  H     17.14422013     12.07785992    -16.01725462
  O     15.42022711     14.97053632    -14.53145856
  H     10.09420427     11.65119399    -10.60832121
  H     12.62633309     15.43529793    -15.92050913
  O     11.60815232     14.49569230    -12.83038446
  H     10.19354547      9.78229343    -11.67726528
  H     11.91338005     14.12647688    -16.28798559
  O     15.19243737     14.42712863    -17.26273096
  H     11.10267596      9.17275327    -12.75423605
  H     14.46289317      8.55294905    -13.74212453
  O     13.73689891     13.51533952    -11.36928835
  H     13.28822025     10.70612410    -15.71416228
  H     15.37782192      7.40031246    -14.21296156
  O     13.07998347     16.40987431    -14.29496781
  H     12.11624229     11.67497116    -15.22157745
  H     15.30804369     10.58553186    -16.72254850
  O     14.71373610     12.46505593    -13.66203611
  H     16.30090755     12.76919087    -10.30668277
  H     14.91148097      9.30138409    -15.95685544
  O     16.51578627     11.92576836    -16.73162800
  H     16.74584821     14.01668611     -9.50813882
  H     16.30354350      9.72962862    -13.54127480
  O     12.56872261     14.75975254    -16.60716684
  H      9.37891364     10.61319834    -13.59057456
  H     17.32636881     10.92224380    -13.60652420
  O     15.27265777      8.34798460    -14.24089884
  H      8.09239711     11.01305490    -14.34860706
  H     10.18064620     13.57134059    -12.02238772
  O     14.60032265      9.93106138    -16.61646678
  H     15.17377064     14.08081310    -14.22978456
  H      9.21152288     12.46770969    -12.49012522
  O     16.63234465     10.50954531    -13.07629932
  H     15.50053143     14.90601534    -15.49203304
  H     17.21909860     14.11446120    -12.01438490
  O      9.55776753     12.90604402    -11.70286594
  H     11.98436066     15.26201411    -13.27986408
  H     16.91731429     14.69156247    -13.41721902
  O     17.59698021     14.24865926    -12.89192322
  H     12.29802010     14.18089570    -12.22782595
  H     16.30039241     10.76591527    -11.28523809
  O     16.00831937     11.05284942    -10.40827191
  H     15.35046943     14.81424508    -18.11996468
  H     15.07307705     10.82254162    -10.34682042
          69
 Energy    -248.60883008745276     
  O     -7.96129849     -2.61706905      5.44359478
  H     -7.06686152     -2.31609315      5.23640625
  H     -2.76134534      1.78616633      1.85846655
  O    -10.87796481     -1.14062389      2.35361920
  H     -8.37377830     -2.87777281      4.61163852
  H     -6.68968169     -0.55086202      3.67932299
  O     -9.39322267     -3.31823202      3.01225305
  H    -10.65917759     -0.50212657      3.04863776
  H     -7.44375399     -0.96956349      2.38929070
  O     -5.26412619      1.17505937     -0.02407610
  H    -10.57145866     -0.74415055      1.53021522
  H     -5.23356874     -0.61495472      5.37122870
  O     -4.94041381      0.93195882      6.33289157
  H     -9.99938157     -2.57953762      2.82055052
  H     -4.78421015     -1.48999579      4.15813959
  O     -5.39686322      5.58675876      1.27561408
  H     -9.92379136     -4.11058116      3.03633505
  H     -0.94053498      3.63342224      1.37643782
  O     -9.31772268     -0.69195345      6.79321079
  H     -6.13856040      1.40141678      0.31993529
  H     -2.29294387      3.91881970      2.07615234
  O     -3.54840843     -1.51320400      2.77510405
  H     -5.21938365      0.20804740     -0.06993221
  H     -9.20857717      2.32076284      4.61491488
  O     -4.13427852      3.74167399     -0.28292836
  H     -4.41044667      1.06234006      7.11412501
  H     -8.23021955      3.45300045      4.22417549
  O     -9.74500422      0.50192421      4.27255542
  H     -5.86148780      1.14816246      6.57630157
  H     -8.40223816     -1.57263929      0.57605714
  O     -5.14709030     -1.55199683      0.31770897
  H     -4.99478419      4.95449998      0.65325122
  H     -8.30833254     -2.72621743      1.61940704
  O     -3.43434095      1.12307064      2.05755489
  H     -5.55834164      6.38973968      0.78784699
  H     -8.92231456      0.65451747      0.40684109
  O     -7.34090115     -0.25575357      3.03228846
  H     -9.86110914     -1.07058058      7.47863719
  H     -9.75940428      0.18147734     -0.80166166
  O     -5.49970433     -1.34010530      4.78964152
  H     -8.83670449     -1.42745464      6.37359602
  H     -8.10631889      0.76784414      6.96269132
  O     -1.84300275      3.33411112      1.43912218
  H     -2.68886610     -1.92564869      2.73231999
  H     -7.88505888      2.13982619      6.27802841
  O     -8.71636980      3.07428199      4.96596367
  H     -3.42117243     -0.57472258      2.55245032
  H     -3.84005077      4.11467687      3.62632092
  O     -7.78863201     -2.17243048      1.02181453
  H     -3.27367397      3.61006326      0.13222589
  H     -4.03184588      5.23802664      2.59240856
  O     -9.46457293     -0.07735963      0.06795746
  H     -4.52807249      2.86244331     -0.36328701
  H     -4.85111542      2.05386248      4.85615000
  O     -7.47722726      1.49238772      6.87265720
  H     -9.74578741      0.13774258      5.16721149
  H     -4.37085811      1.99928074      3.38072699
  O     -3.36535286      4.80100838      3.13748447
  H     -8.89651164      0.24522399      3.88130696
  H     -7.52829306      1.04771392      1.89554624
  O     -4.82077489      2.55377391      4.03244307
  H     -6.03232307     -1.89853619      0.49476891
  H     -7.58511533      2.56627493      1.65810431
  O     -7.71323992      1.71702025      1.21639438
  H     -4.63547195     -1.70491044      1.11938691
  H     -6.27649338      3.37016654      3.28819936
  O     -6.98391859      3.83613455      2.81669118
  H     -4.07926849      1.15063027      1.33459737
  H     -6.55619113      4.53962652      2.31420432
          69
 Energy    -248.60867410960151     
  O     11.13894491     10.88061294    -15.46040447
  H     11.46984950     10.89064305    -16.36744715
  H     13.31320128     14.73704120    -12.34541326
  O     13.96640038      9.82786249    -10.03667766
  H     11.05385549     11.80702374    -15.18934011
  H     12.57795764     13.08249012    -17.28980797
  O     18.44738311     13.14671658    -12.88096421
  H     13.11870499      9.69337321    -10.47991675
  H     12.01093061     13.92450815    -16.14382241
  O     11.67297673     12.56283074    -10.96813547
  H     14.01622050     10.76677913     -9.82315144
  H     15.21485917     11.96005071    -12.86774503
  O     11.60489300      9.86634409    -11.59608655
  H     19.36738745     13.37937279    -12.79285534
  H     14.10319904     11.24645989    -13.69981078
  O     13.15740825      9.72744822    -13.90401871
  H     18.31707340     12.84334698    -13.79859804
  H     17.07203734     12.91497379    -15.64792031
  O     14.61042216     15.37563447    -11.14835221
  H     11.91567870     13.13015379    -11.71365667
  H     17.65967199     11.48466513    -15.60969081
  O      9.49261099      9.82374165    -13.49621572
  H     12.46572247     12.56912870    -10.41740761
  H     13.32079493     11.10548562    -17.73268906
  O     15.29385733     13.60975659    -15.68135975
  H     11.58391689     10.81140379    -11.37828643
  H     12.26393298     11.02923706    -18.86124974
  O     14.97520267     11.17722234    -17.24661425
  H     10.80950750      9.69238697    -12.11333095
  H     16.73098697      8.36244417    -10.57252898
  O     10.82056346     13.53605751    -14.67319205
  H     12.51768837     10.05923468    -14.54715254
  H     15.44182537      9.20308933    -10.72562126
  O     12.82982587     14.15004498    -12.93730112
  H     12.69457852      9.69005303    -13.05570676
  H     14.80713555      8.92558097    -13.98079209
  O     12.75103471     13.86982855    -16.76123341
  H     15.25782662     15.28924707    -11.87111606
  H     15.97619691      8.70884501    -12.99664955
  O     14.54705771     12.09033983    -13.55233560
  H     14.69200969     16.26481056    -10.81333905
  H     16.63242754      9.35099122    -15.24961473
  O     17.85010605     12.40531825    -15.38828481
  H      8.82747375      9.22570125    -13.82775553
  H     17.61076617      9.06085595    -16.41235476
  O     12.37268945     11.21246336    -17.93218586
  H     10.01168044     10.11794262    -14.26340515
  H     16.59139764     10.80926636    -11.43467684
  O     16.29258684      8.98376965    -11.14771019
  H     14.45659699     13.88394772    -16.08346233
  H     17.22917338     12.16720206    -11.90975413
  O     15.74453801      8.69187236    -13.93207530
  H     15.06140906     13.02394293    -14.94091374
  H      9.15787684     11.62450755    -12.81912787
  O     17.08692894      9.75015649    -16.01297836
  H     15.66644383     10.59899529    -16.90414891
  H      9.84811567     12.60509977    -11.85810643
  O     16.43973318     11.75758291    -11.53396797
  H     15.12371608     12.03575155    -16.83392071
  H     15.95634658     14.77007329    -14.13035647
  O      9.23179666     12.56099118    -12.59827281
  H     11.53577836     13.87959006    -14.11605539
  H     17.07827007     14.47896208    -13.11314597
  O     16.29714570     15.02454971    -13.26595824
  H     10.10498306     13.32340930    -14.05801295
  H     15.11243039     12.37844162    -10.43980140
  O     14.34102610     12.73463402     -9.97391557
  H     13.43626610     13.42382610    -13.15216171
  H     14.36901801     13.67790546    -10.17573210
          69
 Energy    -248.60859219601514     
  O     -9.52531394     -2.17790848      3.17924711
  H     -8.83566717     -2.59755578      3.70492786
  H     -6.73500353      0.58501147      4.06407264
  O     -7.29564211     -3.27583693      4.69304583
  H     -9.80358689     -1.40380633      3.68870426
  H     -4.73843317     -1.52768565      5.25436715
  O     -5.21638777      1.12803436      0.05663918
  H     -7.27964834     -4.14354134      5.09117161
  H     -4.77514905     -1.98877801      6.73182240
  O     -6.07945722      1.02377174      5.76715157
  H     -6.68069340     -2.72739376      5.20351766
  H     -1.95217703      3.65508039      2.12461302
  O     -4.83331222      5.63646298      1.21186351
  H     -5.96634375      1.61641902      0.42815719
  H     -0.65475250      3.09888452      1.48727196
  O     -9.87808522      1.36768351      0.72024868
  H     -5.57862259      0.27006467     -0.20236639
  H     -8.14296700      4.03771884      3.99523224
  O     -9.83946241      0.27354609      4.45623930
  H     -5.88183119      0.11052673      6.00676092
  H     -9.54499782      3.37158574      3.90624892
  O     -3.87407128     -1.24459585      3.80326699
  H     -6.93393948      1.26668381      6.14853533
  H    -10.59577111      2.05044100      2.11523436
  O     -3.81894494      3.56172026     -0.22824333
  H     -4.85800295      6.41876987      0.66758303
  H    -11.79007364      2.73585489      2.82131737
  O     -6.57366861     -1.27385180     -0.23307738
  H     -4.52575126      4.90929198      0.64103829
  H     -6.50243244     -1.25072735      2.60537429
  O     -3.52670964      1.08021038      2.28198098
  H     -8.98850906      1.74669784      0.77210254
  H     -6.49798621     -2.73491350      2.99749695
  O     -7.23736521      0.28975716      3.29461330
  H     -9.75971666      0.41891766      0.59103004
  H     -9.41202919     -1.73188385      1.44761708
  O     -5.33029685     -1.69835716      6.01254747
  H    -10.30762682      0.96035971      3.96150321
  H     -9.94155923     -2.02212140      0.02993834
  O     -1.60057897      2.98536600      1.51075272
  H     -9.51108859      0.69332831      5.26032683
  H     -9.00391894      2.21327769      7.29990586
  O     -8.87002577      3.68201326      4.52222638
  H     -4.50947262     -1.66217528      3.20409157
  H     -8.70141045      2.57858523      5.82481320
  O    -10.91294251      2.39414268      2.97046827
  H     -3.60791690     -0.43295364      3.35300035
  H     -3.50655782      5.20246197      2.55919805
  O     -6.09656110     -2.10602573      2.38922158
  H     -4.28612203      2.71941592     -0.30829888
  H     -3.44530347      4.15580339      3.68587096
  O     -9.38889420     -1.42260880      0.52644950
  H     -2.97882357      3.35660836      0.19980114
  H     -5.06441811      2.24525423      4.85777884
  O     -8.64230825      1.86554906      6.48946628
  H     -7.53282517     -1.25618004     -0.13968943
  H     -4.30363929      2.17873029      3.50717982
  O     -2.89487224      4.73796444      3.14425021
  H     -6.27045123     -1.72409140      0.56729810
  H     -7.14833385      3.07584421      1.83825451
  O     -4.66851755      2.78859654      4.16518434
  H     -4.10378827      1.01815078      1.50715609
  H     -7.29852974      1.54547675      2.01885537
  O     -7.34221649      2.25895696      1.36327003
  H     -2.76110326      1.60595607      2.01912507
  H     -5.95355247      3.84401890      3.45603467
  O     -6.60950345      4.38706521      2.99218419
  H     -8.15291000      0.19671486      3.58752271
  H     -6.11033457      4.95101207      2.38843228
          69
 Energy    -248.60854602094986     
  O     12.67609247      2.95829611    -17.47925921
  H     11.95162411      2.49442495    -17.03735815
  H     10.16968863      1.74509435    -19.92882057
  O     16.39611863      4.88600804    -19.02785552
  H     13.38308937      3.09654089    -16.83655478
  H     17.82161968      1.86299432    -20.17034709
  O     12.17836768      5.13644673    -19.06192475
  H     16.75630916      4.00339330    -19.17414374
  H     16.29146980      2.06206245    -20.25648000
  O     12.76025338     -0.02386608    -15.35136415
  H     15.75013186      5.01835833    -19.73269649
  H     14.56024417     -1.80227474    -17.22490147
  O     14.71325107      1.96918536    -21.05978454
  H     12.31850054      4.33495108    -18.53011982
  H     13.82949816     -0.61279652    -16.55518675
  O     13.38106956      2.19191980    -13.61810544
  H     11.62465266      4.91496679    -19.82859764
  H      9.89158549      5.05185285    -16.75663891
  O     10.73397726      4.37860564    -21.20388034
  H     11.94073202      0.32110811    -15.73444185
  H     10.35831878      5.07293220    -18.21054156
  O     14.27634101      4.74830091    -20.90885799
  H     13.00696632      0.60531800    -14.66448847
  H     16.51875275      1.59497959    -17.95637568
  O     10.62240916      1.41659400    -16.37641560
  H     14.15928384      1.86458221    -21.84578787
  H     15.65999500      0.56390585    -17.18083605
  O     15.71287614      5.76208115    -16.56153823
  H     14.22966456      1.52434361    -20.34722017
  H     15.35052490      2.60204854    -16.13866214
  O     13.15355092      0.83041443    -19.13691375
  H     13.93049472      2.61735232    -14.29883970
  H     15.15254284      4.13628240    -15.88808377
  O     10.87116982      1.64171827    -20.58472095
  H     13.88980596      2.19721809    -12.81138125
  H     10.79727669      4.03272299    -14.50685897
  O     17.06625541      2.17917833    -19.68081528
  H     11.24097448      4.54687415    -22.00701809
  H     11.61040446      2.85168400    -13.91947923
  O     14.41364192     -0.86333214    -17.29525941
  H     10.74657007      3.42071527    -21.06607717
  H     12.71654091      6.18684427    -17.61925790
  O      9.64861932      4.75593132    -17.64200193
  H     14.41478575      3.78935475    -20.91966217
  H     13.89645478      6.32149574    -16.63572285
  O     16.16200638      1.38295390    -17.08595906
  H     13.60071347      4.93486451    -20.24214056
  H     12.61004044      2.78283916    -23.18126143
  O     14.80141510      3.26189989    -15.68390537
  H     10.47713165      2.00001302    -15.61292193
  H     11.95869552      1.69870035    -22.29484151
  O     10.74023563      3.10214680    -14.25483440
  H      9.94520273      1.59213328    -17.03796647
  H      8.02810108      2.19548804    -18.64075156
  O     12.95282373      6.49218390    -16.73277239
  H     15.98356523      5.47480056    -17.45207958
  H      9.15126021      3.17237035    -18.22710474
  O     12.68502185      1.85943657    -22.90936352
  H     16.39945602      6.34100650    -16.24096904
  H     13.34347908      4.84107151    -22.48364656
  O      8.97171826      2.25958986    -18.51517667
  H     13.03536674      1.59017858    -18.54630291
  H     12.94834345      5.36132569    -23.88414762
  O     12.72007017      4.71779491    -23.21843164
  H     13.54015654      0.12681074    -18.60329085
  H     11.61446938      6.03295922    -15.69869037
  O     10.81349693      5.75653293    -15.22028828
  H     11.61787062      1.24848112    -20.11248378
  H     10.47883974      6.53367110    -14.77963586
          69
 Energy    -248.60851985843260     
  O     15.01863443      8.90871830    -16.51889408
  H     14.17001572      8.44319510    -16.46683755
  H     17.26208360      2.51153320    -15.85389553
  O     14.14754059      2.58199663    -15.95270477
  H     15.44277154      8.74327776    -15.67233253
  H     21.44842857      4.28634664    -14.33333222
  O     17.00012610      6.38554716    -11.71439456
  H     15.07056900      2.39664367    -16.20604544
  H     20.44088944      4.80223473    -15.39094363
  O     20.00417880      5.08205625    -17.03804696
  H     13.63366045      1.81744307    -16.19773436
  H     18.73727579      8.08482872    -16.19038616
  O     18.08250705      3.74177586    -18.67635411
  H     16.90654455      5.43619307    -11.89193724
  H     18.03395593      7.89164370    -17.57255264
  O     14.43540312      6.64051534    -10.59760021
  H     16.74287181      6.86039872    -12.51547234
  H     17.27622144      4.89513985    -15.30721936
  O     14.12754381      3.94140199    -13.46325931
  H     19.42013386      4.54579899    -17.58790371
  H     17.50324162      6.16125735    -16.19616299
  O     16.26817758      7.81708235    -14.09867560
  H     19.67445421      5.98895162    -17.10978804
  H     13.30450414      6.49141034    -16.47862989
  O     18.06260503      3.43001730    -14.50578414
  H     18.31522929      3.34536599    -19.51253596
  H     12.90254834      7.09486235    -15.12266790
  O     13.51017842      3.90918478    -10.67482746
  H     17.43700996      4.44332644    -18.87423141
  H     14.90268294      2.94367288    -10.06711795
  O     18.78797792      8.96011738    -14.51921687
  H     15.37200465      6.57251505    -10.84176800
  H     15.57633026      1.71832160     -9.42355843
  O     16.74084322      2.25369952    -16.62776633
  H     14.38633911      7.26029172     -9.87357113
  H     15.28986249      5.35079866    -16.53478518
  O     20.57501086      4.65480935    -14.43626226
  H     14.06133155      3.48439409    -14.30970060
  H     14.22432394      4.25663313    -16.76633290
  O     18.63347563      7.48066611    -16.93578350
  H     13.94515239      4.88010725    -13.60448403
  H     19.91637704      6.10310754    -13.41738230
  O     16.85247565      5.68643460    -15.66249367
  H     16.42899882      7.02954128    -14.64716922
  H     18.85668416      6.61368571    -12.39649241
  O     12.86297239      7.25198699    -16.07317210
  H     17.06269129      8.36217080    -14.16472512
  H     16.45405288      3.22337136    -11.40892617
  O     15.76201811      2.51506911     -9.91283272
  H     17.63101173      3.43820733    -13.63900554
  H     15.73553364      3.75404740    -12.68358132
  O     14.47106237      5.15494429    -17.01569178
  H     18.97034645      3.73492857    -14.39354437
  H     16.35834778      6.62627484    -19.07465356
  O     19.56414773      6.89316092    -12.98847994
  H     13.73489651      4.83640610    -10.52859184
  H     15.48573075      5.47466871    -18.53974083
  O     16.59385083      3.70538078    -12.23576398
  H     13.53287178      3.79133043    -11.63375558
  H     13.77148345      6.76966214    -12.41210207
  O     16.22682107      5.67315488    -19.12893608
  H     19.22930102      9.76986222    -14.27864303
  H     14.55070087      7.22265532    -13.65551766
  O     13.76183725      6.73843217    -13.37641845
  H     19.15931000      8.25338889    -13.95817340
  H     16.01280258      8.65992801    -17.90705931
  O     16.64417267      8.46824617    -18.62449207
  H     17.16108342      2.69087510    -17.37758317
  H     16.55161522      9.16630079    -19.26693527
          69
 Energy    -248.60829703564093     
  O     18.57511706      9.40660257    -17.63613845
  H     17.72700046      9.82489578    -17.44075383
  H     15.41641831      2.68522467    -13.69386580
  O     14.61632991      5.34922866    -12.41531613
  H     18.77938657      8.84907100    -16.87485435
  H     17.43958366      3.98856844    -19.79389539
  O     14.35288059      3.24962778    -19.30077960
  H     15.15974469      6.15022615    -12.38822061
  H     16.28691115      2.97991574    -19.78490796
  O     19.06731224      6.62546533    -12.84683991
  H     15.22386872      4.62207468    -12.59830916
  H     17.70525114      7.82060700    -15.38377350
  O     15.36123525      8.71507609    -19.45567806
  H     14.43009611      4.21329775    -19.20437255
  H     18.91495760      7.37013490    -14.52880631
  O     14.37951537      6.14584191    -16.14807399
  H     13.69886290      3.09548792    -19.97799825
  H     15.33819571      7.58681596    -15.57940176
  O     18.87314145      5.36670777    -16.97242638
  H     19.01943318      5.66505909    -12.99897585
  H     15.84596198      9.02279438    -15.88476245
  O     18.89093046      3.96315095    -13.34943766
  H     19.69995876      6.76031674    -12.14624900
  H     11.85868773      5.26025186    -13.91895936
  O     15.85052548     10.24698409    -17.26435085
  H     15.02005985      7.81782727    -19.36159660
  H     13.34960060      5.12686515    -13.51278606
  O     16.44428362      4.41809021    -15.97001582
  H     16.24528398      8.62766742    -19.83521533
  H     14.61777762      2.06974547    -16.19812829
  O     17.55390841      5.78761716    -19.32260390
  H     13.69161431      5.81127567    -15.56322921
  H     14.83630983      2.38785265    -17.71533564
  O     16.17361306      3.24153533    -13.48845519
  H     15.13541808      5.54216389    -16.04928259
  H     20.69844175      2.53367348    -15.95156899
  O     17.24729834      3.04129373    -19.82195300
  H     18.91480715      6.14724249    -16.40112357
  H     19.22036783      2.52084485    -16.40462950
  O     18.65372623      7.62522506    -15.42264323
  H     19.39198103      4.65242263    -16.58340659
  H     14.60191473      6.07536008    -17.95662223
  O     15.94914531      8.27519254    -15.28333423
  H     19.24586683      3.57652196    -14.15918609
  H     15.77551836      5.88813729    -18.98315658
  O     12.69789778      4.91433919    -14.20957771
  H     18.01183422      3.58180468    -13.22918523
  H     17.24488674      7.23507663    -12.58742960
  O     15.26710018      2.06576602    -16.91187730
  H     15.59355304      9.72923161    -18.04826253
  H     16.15485814      7.90012071    -13.45113577
  O     19.87161267      2.99948763    -15.85911277
  H     15.44003520     11.10293914    -17.35078811
  H     18.38073748      8.76692112    -19.24711937
  O     14.81081926      5.94457117    -18.89270963
  H     16.18012902      3.60127510    -16.41527202
  H     18.71073057      8.80934791    -20.75955796
  O     16.31922667      7.50507725    -12.58473257
  H     17.29148553      4.70265020    -16.33099555
  H     17.91903746      2.19723755    -18.32958028
  O     18.13308194      8.40601677    -20.11771856
  H     17.82417814      6.63317584    -19.69922251
  H     17.13205958      1.62928148    -17.15122212
  O     18.03064827      1.81767772    -17.44539440
  H     18.08620102      5.64780454    -18.52488347
  H     13.00696102      1.69142716    -14.21251022
  O     13.62606599      2.29883641    -14.61137254
  H     16.34424906      3.73892044    -14.30531932
  H     13.24896691      3.18646921    -14.50620757
          69
 Energy    -248.60811868840545     
  O     -4.53280442     -0.69643622      2.68331684
  H     -3.66887103     -1.05418377      2.43407180
  H     -6.73949167     -3.57652941     -0.82061675
  O     -1.21111568      2.51207936      2.58791992
  H     -4.39728601     -0.00313371      3.34078380
  H     -3.04235303      1.66893301      0.20908370
  O     -2.13633961     -1.67897961      1.66758096
  H     -1.52605356      2.43184211      1.67573857
  H     -2.47517095      2.75091884     -0.72563433
  O     -3.69531412      0.82964777     -3.03008649
  H     -1.80696643      3.14890115      2.99839963
  H     -5.58291265      4.24123544      1.22650727
  O     -1.92521453     -1.35940429     -2.50629874
  H     -1.48684273     -1.82267373      2.36659228
  H     -6.15507053      5.42046811      2.04544213
  O     -4.60075138      0.87195068      0.41409416
  H     -1.69610767     -1.12056961      1.01123083
  H      0.28840191      1.29215911      2.26715690
  O     -6.70025713      2.24402993      3.31793762
  H     -4.52797142      0.43784753     -2.72883743
  H      0.42413117      0.24998110      1.14356244
  O     -7.76912726      1.55662176     -0.86037314
  H     -3.03259139      0.13712954     -2.92874846
  H     -3.28935656      4.76193362      4.34619784
  O     -4.22575542      1.47120135      4.46178881
  H     -2.47370057     -1.89438404     -1.90323112
  H     -4.08617616      4.35279461      3.08846785
  O     -3.50334708      3.39344737     -2.21656437
  H     -1.56805409     -1.95887406     -3.15602956
  H     -6.11248721     -1.43180843      2.15701820
  O     -5.91876064     -0.25791989     -1.78913035
  H     -4.98274081      0.37879592     -0.32338319
  H     -7.48990927     -0.89773435      1.71214451
  O     -6.20635933     -2.80759265     -0.63936776
  H     -4.66340365      0.32908987      1.20835849
  H     -1.46627859      1.18338547      3.92789348
  O     -2.24559992      2.19233082      0.02439760
  H     -5.95814139      1.88210677      3.81887901
  H     -1.18427517     -0.23611201      4.44797901
  O     -5.59969670      4.64745462      2.11051407
  H     -6.39898050      3.08778964      2.96442049
  H      0.62827987     -2.08463612      3.96063768
  O      0.76489895      0.49094014      2.01644293
  H     -7.19577723      2.32336841     -0.74486864
  H      0.33374475     -0.85731650      3.06422263
  O     -3.35604413      4.09056402      3.66996707
  H     -8.04274870      1.29267338      0.02824677
  H     -7.79950337      1.28208858      2.36817858
  O     -6.92228652     -1.67680403      1.68665986
  H     -3.97534043      2.36977512      4.21468930
  H     -9.25769755      0.79750989      2.20772112
  O     -1.69260209      0.56041885      4.63263828
  H     -3.38761553      1.04840821      4.71045962
  H     -4.31496869     -2.82291280     -0.62289144
  O     -0.08013371     -1.56535997      3.59105219
  H     -3.25406795      3.94743711     -2.95066122
  H     -3.03074343     -2.54614339      0.20915807
  O     -8.39519267      0.76136965      1.80137052
  H     -3.56953645      2.48337851     -2.56305605
  H     -1.22659339      0.73122361     -0.25261910
  O     -3.35560954     -2.74341740     -0.67820375
  H     -6.10758414     -1.16193766     -1.51154902
  H     -1.01817727     -0.55344621     -1.08910109
  O     -0.76962685     -0.12234736     -0.26279074
  H     -6.67728540      0.30054363     -1.55999458
  H     -5.31080918      2.46481854      0.07521586
  O     -5.56236496      3.33945678     -0.26480745
  H     -6.50539378     -2.45167650      0.21744456
  H     -4.95190605      3.51627812     -0.99105183
          69
 Energy    -248.60810695346595     
  O     15.55302594     10.69282999    -15.12349368
  H     15.93957127     10.64090481    -16.00428349
  H     18.58543778      4.68120273    -15.99279329
  O     13.05773161      5.40796572    -16.10350673
  H     16.14618282     10.20165827    -14.54285650
  H     18.01804707      9.16849604    -17.36987514
  O     17.90390873      6.30534632    -12.29861834
  H     12.70341565      6.27115921    -16.34444236
  H     18.79597172      7.84991964    -17.69279042
  O     18.84482284      6.30904425    -18.71895891
  H     13.30361015      5.47554337    -15.17020537
  H     16.65367933      6.13441051    -15.69096727
  O     16.17655961      5.85719419    -18.96680730
  H     18.77037329      6.17813239    -12.70609190
  H     17.35063744      7.46295847    -16.12584734
  O     13.88899562      5.64312901    -13.46242246
  H     17.57144191      7.14118156    -12.64907985
  H     13.49729893      8.93434755    -13.59237433
  O     16.96199625      8.70506924    -13.56044410
  H     17.89942203      6.10842773    -18.83964585
  H     13.96786817      9.89008372    -14.70734553
  O     16.85165277      4.29614331    -15.63271323
  H     19.27279401      6.12099904    -19.54988494
  H     14.94949970      2.98931405     -9.80277498
  O     12.50763637      4.27214719    -11.48851658
  H     15.66851683      6.63576751    -18.70382746
  H     14.04457900      3.81011846    -10.75196529
  O     19.55211981      8.85614878    -14.37615478
  H     15.72838900      5.10827082    -18.55575245
  H     12.58998469      8.52585264    -15.81910950
  O     14.78229430      3.86338642    -17.46264856
  H     14.70297085      5.13259398    -13.35828573
  H     11.45373782      8.46442307    -16.86861956
  O     19.44284545      5.09615663    -16.16753882
  H     14.06903988      6.52161915    -13.10082809
  H     20.02217729      5.76062518    -14.66577238
  O     18.62353603      8.50829567    -17.00704685
  H     16.68250266      8.13010451    -14.29258147
  H     21.14599710      5.79381648    -13.60420881
  O     16.55246090      7.09337838    -15.72094187
  H     17.89509445      8.91547859    -13.72222659
  H     16.85124104      4.89724293    -12.71331738
  O     13.24017017      9.30775637    -14.44210942
  H     16.60539123      4.07721971    -14.72361119
  H     15.88413118      3.83892430    -12.11904714
  O     14.96649341      3.66168052    -10.47853544
  H     16.14438204      4.01343943    -16.22558838
  H     16.64766166      6.39779251    -10.77682602
  O     12.30038029      8.09032698    -16.64281189
  H     12.85486470      4.77725163    -12.24144420
  H     15.50162003      5.53053528    -10.23899823
  O     20.27901216      6.13639190    -13.80481224
  H     11.65007655      4.64154726    -11.29410897
  H     13.95103016      8.08986390    -17.46603638
  O     16.23509431      4.18610384    -12.94791616
  H     19.37790455      8.82067418    -15.32741248
  H     15.35304342      7.67113058    -16.94802125
  O     15.79878663      6.44416967    -10.31944003
  H     19.93303983      7.99885444    -14.14996096
  H     14.86617750      7.56661227    -11.44786977
  O     14.88150532      8.03631031    -17.71404023
  H     14.11711227      4.41362289    -17.00865863
  H     15.37595636      8.42805978    -12.62034900
  O     14.57474174      8.04474067    -12.23813887
  H     14.32999277      3.08379735    -17.77258990
  H     15.88219625      9.48696246    -17.88952868
  O     16.53677315     10.20426741    -17.82650151
  H     19.37351753      5.46771414    -17.05317466
  H     16.34974668     10.81577777    -18.53412553
          69
 Energy    -248.60806177115475     
  O     16.49596465      8.78110378    -17.27301169
  H     16.86654323      8.57052221    -16.40092671
  H     16.37577057      5.47820769    -15.79412185
  O     16.09571036      5.45582570    -12.66173064
  H     15.77370414      9.41471936    -17.14029791
  H     18.95882637      6.04564706    -10.83681901
  O     17.82577510     14.25460940    -13.08597021
  H     16.46882048      5.19381933    -13.51831612
  H     19.10678778      6.34664408    -12.34198747
  O     20.31878413      8.73001230    -14.67506150
  H     16.83769997      5.81546079    -12.16463645
  H     19.90659822     10.15832689    -17.34712879
  O     14.97678682      6.37916925    -16.49263929
  H     18.48830018     13.95823857    -12.44952717
  H     21.35741710      9.96951870    -17.85990541
  O     17.15752172     11.74809223    -10.39222260
  H     16.97103290     14.05155314    -12.68499242
  H     18.51931677      8.22276989    -14.80946170
  O     15.54808259      8.98671733    -13.32138099
  H     20.55230048      9.04135772    -15.55832102
  H     17.49014111      7.05128188    -14.87674280
  O     17.68377758     12.15836443    -14.86286222
  H     20.12296913      9.49931539    -14.12302110
  H     14.05938613     11.28025296    -17.26067222
  O     20.13558791      6.13717618    -13.76274023
  H     15.30551473      7.19856598    -16.87834705
  H     14.63176056     11.03794276    -15.85474691
  O     13.97618859      6.74704273    -13.75349974
  H     14.52720136      6.61440028    -15.67115972
  H     16.78659305      9.10933099    -12.00087040
  O     19.56690591      5.13072141    -16.45501400
  H     18.01642641     12.16610717    -10.53204894
  H     17.96331158      8.28268705    -11.42733542
  O     17.09461840      5.22475912    -15.19509775
  H     17.28115916     10.81323283    -10.60249047
  H     19.65150690     12.09669390    -11.95778346
  O     18.55276848      6.51737981    -11.56036955
  H     14.86823200      8.30593736    -13.39610752
  H     20.52348038     12.96785343    -11.02459529
  O     20.67955699      9.56327785    -17.32754036
  H     16.29454320      8.68028462    -13.86155617
  H     18.71325036     10.18149955    -12.53502593
  O     17.57909155      8.01330756    -14.85232644
  H     17.81483050     12.99728747    -14.39731482
  H     18.71930715     11.18959692    -13.73346537
  O     14.56835286     10.65918836    -16.74496494
  H     16.76235049     11.91095435    -14.71088443
  H     14.79642409     13.64557183    -11.33773249
  O     17.60135999      9.17596547    -11.48202195
  H     20.37679481      7.03698471    -14.02882148
  H     15.97490874     12.64452919    -11.31844947
  O     19.63067687     12.84362374    -11.33580332
  H     20.00123254      5.66061238    -14.58862224
  H     19.60496639      8.06732805    -17.81653605
  O     19.28178113     10.73948996    -13.08556427
  H     14.67723116      6.24220117    -13.30074140
  H     18.09673429      7.76005229    -17.91406529
  O     15.40798345     13.17981832    -11.90216721
  H     13.14469254      6.37453995    -13.47284800
  H     15.15787525     10.63604411    -13.80060490
  O     18.96844351      7.34932653    -17.92491103
  H     20.02748571      4.50436606    -17.00689458
  H     15.05130007     12.13877502    -13.40632870
  O     15.04807354     11.53195883    -14.15668371
  H     19.38050994      5.90792981    -17.01104608
  H     18.17564161     11.47630622    -16.48661620
  O     18.40613092     10.97273478    -17.27959507
  H     17.88402824      5.03180869    -15.71328078
  H     17.69599461     10.33510691    -17.41209518
          69
 Energy    -248.60800336677147     
  O     10.53184440     10.44609487    -14.00675889
  H     10.40540575      9.94991768    -14.82543418
  H     19.47755808      7.59274537    -14.11078471
  O     14.74599979      7.37782128    -15.50989175
  H     11.39599371     10.87040172    -14.07761643
  H     16.36796244     11.86127738    -14.85966551
  O     15.96626548     10.62460212     -9.81757550
  H     15.51621055      7.42737641    -16.08933664
  H     15.95402323     13.23218315    -15.44307396
  O     18.96107986      8.79936715    -15.30867725
  H     14.10814881      8.03037523    -15.83689328
  H     15.48118229      8.27646058    -14.11823869
  O     13.05856380      9.39026041    -16.32999813
  H     16.19472751      9.68036892     -9.71948975
  H     15.24785440      9.17903702    -12.85694188
  O     14.25123890      6.43105158     -9.63639143
  H     15.76116609     10.95276337     -8.94617988
  H     10.16666019      9.29072893    -12.74504277
  O     13.35334747      6.12279546    -13.45708313
  H     18.61842571      9.61335017    -14.91903068
  H      9.18652080      8.73740408    -11.68108269
  O     14.09360138     10.15386074    -11.86524973
  H     18.30760058      8.52366276    -15.96268884
  H     11.55850085      6.37637909    -14.01082401
  O     16.90812113      8.08544827    -17.18365320
  H     13.09920804     10.01762628    -15.59296457
  H     10.37005788      7.20542161    -13.47472410
  O     15.32384422      4.89792577    -11.85379203
  H     12.13837566      9.11617547    -16.42182130
  H     18.93300367     11.14351874    -10.90615807
  O     17.51549268     10.85859281    -13.98273875
  H     13.58612481      6.95199135    -10.10576195
  H     17.40503886     11.23279025    -10.82205340
  O     19.69216442      6.94224862    -13.42073782
  H     14.55883668      5.77822172    -10.27681522
  H     16.83920055      7.46675548    -12.51120035
  O     15.66747038     12.32726267    -15.34850467
  H     13.97531148      5.59038270    -12.94482599
  H     18.20186075      6.73130945    -12.45693068
  O     15.91744650      8.71871782    -13.37931923
  H     13.84312266      6.46608446    -14.21765581
  H     16.97408047      7.59555471    -10.39241418
  O     10.00263779      8.54857737    -12.13569741
  H     14.66720425     10.39290184    -11.12729307
  H     15.73159674      7.48676268     -9.49402542
  O     10.69199473      6.72927352    -14.25044836
  H     13.54981637      9.39726942    -11.59872807
  H     14.54909147     10.05099377    -17.23607755
  O     18.16618828     11.47528470    -11.36954642
  H     16.44997345      8.93372635    -17.32518221
  H     15.59049458     11.10167607    -16.82547718
  O     17.32302476      6.76183729    -12.05487829
  H     17.15554911      7.76088033    -18.04590585
  H     12.86724502      7.30701020    -12.14149632
  O     16.52419716      8.02037395     -9.65205138
  H     15.67981731      4.01407637    -11.81143982
  H     11.67777081      8.10634394    -11.53769434
  O     15.44625015     10.35988486    -17.42455828
  H     16.08314251      5.50150949    -11.93067832
  H     14.01729145     11.73035598    -14.61886243
  O     12.61208868      7.89594217    -11.41639042
  H     17.82569160     11.16214427    -13.11863435
  H     13.53364318     10.92596666    -13.38520433
  O     13.26618174     11.24121301    -14.26136984
  H     16.98578968     10.06355960    -13.81284767
  H      9.70645717      8.34419646    -16.80597541
  O     10.39916918      8.58924513    -16.19915370
  H     20.61876887      6.74547191    -13.52497740
  H     10.49065039      7.85761113    -15.56193386
          69
 Energy    -248.60745277320387     
  O     17.07356157     10.72670252    -15.24891040
  H     16.15247086     10.99564565    -15.13111373
  H     14.93336183      3.44690046    -17.57416893
  O     14.21692553      6.62774490    -16.07874088
  H     17.07721388     10.19014583    -16.05161801
  H     19.44393979      5.92200009    -14.44339073
  O     17.87034647      7.00033540    -11.72585018
  H     14.33104728      5.79664718    -16.55568621
  H     19.23130027      5.58290514    -15.95135541
  O     19.60528089      6.07146759    -17.59726204
  H     15.09896772      6.83667473    -15.72982598
  H     18.67223617      8.94080811    -17.80786175
  O     17.02249239      6.01324536    -18.62141762
  H     17.47364906      7.80341034    -12.09930811
  H     19.92480929      9.45596685    -18.55256182
  O     13.90135643      8.68674777     -9.95903136
  H     18.75135129      6.95720015    -12.11332377
  H     16.79333139      7.78725858    -14.42194432
  O     13.67454438      6.57326060    -13.37092270
  H     19.81108004      7.00516222    -17.71109888
  H     17.46077105      6.56626451    -15.13882699
  O     16.71587964      9.05783549    -13.05240949
  H     18.75899067      5.93663378    -18.05077504
  H     14.06504378     10.40483014    -14.06772088
  O     16.59780756      3.85178291    -14.90970981
  H     16.38420274      5.43409766    -18.18579351
  H     13.66048450     11.72018798    -14.76701753
  O     12.78384185      6.32122800    -10.69526008
  H     16.75080757      6.91456898    -18.42829511
  H     15.06840302      3.95508065     -9.19457970
  O     19.69866993      9.36949499    -14.98188533
  H     13.42952643      7.85580935    -10.15311460
  H     15.40408016      5.41117402     -9.60683273
  O     15.21596793      4.27911457    -17.20512054
  H     13.46649607      9.08111735     -9.20722407
  H     14.04573578      8.34290524    -16.84833202
  O     18.88935339      5.42707243    -15.05603464
  H     14.45591964      6.07339644    -13.09158723
  H     14.12306767      9.82560164    -16.41622021
  O     19.64405974      8.95720441    -17.78911546
  H     13.65088527      6.52698831    -14.33515060
  H     21.13771788      7.27161088    -13.09011919
  O     16.76827190      7.23571667    -15.21172101
  H     15.77238385      9.14671498    -12.86407759
  H     20.03797780      8.01695952    -13.87740404
  O     14.24975491     10.97210858    -14.83388388
  H     16.93511788      9.71773992    -13.72230433
  H     15.55961898      4.77750991    -11.62660718
  O     14.91375765      4.61039408     -9.86906614
  H     16.26854209      4.16799702    -14.05924046
  H     16.62420982      5.70506286    -12.26265844
  O     14.24267838      9.23485970    -17.16842201
  H     17.49206722      4.21378124    -14.98174416
  H     16.88041190      7.02904445    -10.12345927
  O     20.21268275      7.23794549    -13.32094418
  H     12.88003454      6.32741525    -11.65717950
  H     15.56416216      7.66638094     -9.60126568
  O     15.88181033      5.12119632    -12.46934889
  H     13.36506407      5.61942009    -10.37511635
  H     13.80076831      8.32041746    -12.99200020
  O     16.20236882      6.96247691     -9.43733245
  H     19.83294511      9.22120557    -15.92751045
  H     13.90960287      9.22260651    -11.73660696
  O     13.97229893      9.22926514    -12.70033032
  H     18.98993164     10.01737845    -14.92614969
  H     16.96600782      8.20629184    -16.67651234
  O     16.91743450      8.80939168    -17.43711533
  H     15.70345246      4.07234003    -16.38679612
  H     15.98234358      9.04417178    -17.53396485
          69
 Energy    -248.60737107541223     
  O     16.58014285      3.67857947    -13.21493198
  H     16.81075931      2.76795682    -13.37484990
  H     19.77706789      7.78969488    -15.41325165
  O     14.37538890     12.11933894    -11.41814815
  H     16.86395144      4.18359257    -13.99876168
  H     16.19616217     10.41543107    -14.99001505
  O     17.07286916     12.00101991    -12.47669845
  H     15.31344798     12.16023973    -11.63339558
  H     14.97122902     11.26199966    -14.52256130
  O     11.78189530      8.11074312    -16.35406456
  H     13.92364397     11.95118518    -12.25769008
  H     16.32219460      7.13172731    -12.26856785
  O     15.03554869      5.87183013     -9.83361898
  H     16.72375203     11.81609261    -13.36368905
  H     16.40461855      8.62750162    -11.89537003
  O     13.06678646      6.70861692    -14.26233175
  H     17.62928084     12.77217859    -12.56039331
  H     17.16977459      4.95524987    -12.01492622
  O     13.31899098     11.11417711    -13.80438146
  H     12.08928435      7.53186763    -15.64387732
  H     16.62442993      5.69251075    -10.76603364
  O     14.27737426     10.73596028    -17.28848770
  H     12.41963917      8.01675452    -17.07223102
  H     14.87726883      4.39973887    -12.72501548
  O     17.34098622      5.24166084    -15.26635093
  H     15.16186947      6.80948693     -9.60371649
  H     14.29509812      5.24417850    -11.57557892
  O     16.67592250      8.70407661    -14.99456295
  H     14.78282743      5.42921769     -9.02739656
  H     17.44826310     10.49203935    -11.37403545
  O     15.13339789      6.74265269    -16.16034370
  H     13.00585838      7.46044564    -13.65744485
  H     18.19515182      9.12303693    -11.18145724
  O     19.12878437      7.48538842    -14.78227514
  H     13.33929516      5.96634917    -13.70255684
  H     19.30864523      7.70413391    -12.84635326
  O     15.86695970     11.32212466    -14.88941567
  H     12.67065346     11.09383583    -14.51786117
  H     18.67193686      7.00894347    -11.63848180
  O     15.95485704      7.99846138    -12.47769819
  H     13.27966433     10.25447577    -13.35900923
  H     14.70846624      9.07553225     -9.35733811
  O     17.30768035      5.72572781    -11.44927816
  H     13.39853468     10.90025052    -16.92180029
  H     16.22360977      8.94133563     -9.61677844
  O     14.09942220      4.90388592    -12.45602909
  H     14.90467657     11.05640046    -16.63192846
  H     13.97399980      8.19289809    -19.18461845
  O     17.45477778      9.66954371    -10.87089590
  H     18.02291164      5.90557546    -15.11536275
  H     14.14310440      9.11252531    -17.95101978
  O     19.18940492      7.78633131    -11.89353707
  H     16.58725137      5.69907464    -15.66431590
  H     12.58371956     10.50107146     -9.36188263
  O     15.46526642      8.49161381     -9.22203528
  H     16.44235456      8.49155510    -14.07669754
  H     13.68512518     10.90096202    -10.37174832
  O     13.96069026      8.19798275    -18.23145669
  H     16.15207302      8.09885244    -15.53612326
  H     11.64106114      9.82943371    -16.12157610
  O     13.27395049     10.14525529     -9.91498138
  H     14.42523394      6.69950530    -15.50112075
  H     10.85180673     11.14437989    -16.33589702
  O     11.69278774     10.79980773    -16.04887067
  H     14.75966763      7.13062544    -16.96122163
  H     13.15791352      9.09800949    -11.50190589
  O     13.32283799      8.74688899    -12.38446518
  H     18.33201713      8.02479164    -14.91917918
  H     14.24076895      8.43085138    -12.38805606
          69
 Energy    -248.60726674010687     
  O     14.33365371     11.77922643    -14.28973089
  H     13.64207855     11.87795264    -13.62340326
  H     19.51062155      7.38169971    -14.86702398
  O     14.98101089      6.19574475    -13.50145934
  H     15.10146565     11.41452028    -13.82402483
  H     15.27379639     11.72596123    -15.98495566
  O     18.41539815      8.85747101    -11.95553481
  H     14.42475642      6.50396686    -12.77409415
  H     15.16105683     10.91672610    -17.29784547
  O     18.30340973     10.44367247    -16.52777285
  H     15.22864816      6.99476868    -13.99594194
  H     16.17934345      8.21335001    -15.63171297
  O     15.63447791      8.91008950     -8.73349096
  H     18.11559308      7.97364430    -12.21464544
  H     14.75303086      8.71780147    -15.21223195
  O     13.54075918      7.41193281    -11.45762227
  H     18.48002572      8.85187325    -10.99300806
  H     12.04130219     10.58986326    -12.55032025
  O     16.31807116     10.29343360    -13.01733677
  H     18.85621434     11.00217757    -17.06931498
  H     11.58882254     11.94568336    -11.95397705
  O     14.93985144      7.27165822    -17.97701236
  H     17.41028654     10.82791125    -16.56446560
  H     17.51542247      5.92056305    -10.90794730
  O     14.72784537      6.21497675     -9.20637973
  H     15.23629966      8.03146286     -8.75202742
  H     17.78069144      6.74858221     -9.63501207
  O     17.46734371      7.78228153    -16.89632319
  H     15.19447878      9.41394794     -9.43215769
  H     12.23133331      8.27774233    -12.60379014
  O     14.05154483      5.42979979    -16.04798710
  H     13.86255013      8.31427751    -11.31824371
  H     12.15195576      8.96946547    -13.99403137
  O     19.23274246      6.47666547    -15.10208587
  H     13.80925479      6.91680889    -10.67322538
  H     19.37312615      9.14403922    -13.54285427
  O     15.77454909     11.42462551    -16.75234368
  H     16.09429563      9.63555692    -13.69458504
  H     19.22577824      9.64391350    -15.00975093
  O     15.61485779      8.43094653    -14.88100926
  H     17.11032075      9.95387897    -12.58227779
  H     16.73124903      6.12386131    -12.99459631
  O     12.35333847     11.46784306    -12.26321541
  H     15.88170480      7.34578166    -17.77425643
  H     18.18453670      6.18134591    -13.54511315
  O     17.32975150      5.95995217     -9.96044446
  H     14.58521081      6.61099226    -17.36593473
  H     18.79684065      8.83988992     -8.41707539
  O     11.76545006      8.95616390    -13.10737288
  H     14.49573235      5.52651588     -8.58912683
  H     17.35253861      8.75659007     -8.96753858
  O     19.72569168      9.04903906    -14.43798926
  H     15.64517619      6.04331657     -9.48560032
  H     13.48935154      9.87904663    -19.01585831
  O     17.65619096      6.25515947    -12.74180784
  H     18.05606296      7.22167182    -16.37568930
  H     14.26428156      8.83851110    -18.17068038
  O     18.28520652      8.56155505     -9.17152461
  H     17.84081262      8.67416889    -16.88790398
  H     13.71902563     10.61303548    -11.26688962
  O     13.90899646      9.74680368    -18.17059582
  H     14.33376966      5.57244200    -15.13272233
  H     15.13961594     10.14079200    -11.66289107
  O     14.44465220     10.03870347    -10.99680172
  H     13.42637408      4.70921805    -16.01689075
  H     13.48226420     10.35957131    -15.12881740
  O     13.13824752      9.53288284    -15.49861233
  H     20.02514092      5.98555037    -15.30316440
  H     13.20404199      9.60683279    -16.45898163
          69
 Energy    -248.60716583879241     
  O     16.77154272     10.41473675    -14.04291639
  H     17.44106989      9.77711485    -14.32009997
  H     15.48796087      4.30492208    -13.66142378
  O     15.73586292      4.26200530    -15.49937047
  H     16.82058606     10.48244160    -13.07662143
  H     13.71694278      9.35755481    -10.10215846
  O     12.45832586      8.22566151    -12.80343436
  H     16.05108875      3.54401187    -16.04230438
  H     13.09883618      8.30401773    -11.05601842
  O     13.25040434      5.81472894     -9.11136462
  H     16.15648135      5.07258513    -15.83802102
  H     15.40349202      9.18115871    -13.92521468
  O     12.97404032      5.10625070    -15.62776134
  H     11.85023385      8.41683629    -13.53506770
  H     15.55637318      7.68875892    -13.59006551
  O     14.95126248     11.04274010    -16.10341961
  H     13.35505167      8.28176045    -13.17608616
  H     18.02989160      7.62614354    -13.97558299
  O     16.80696632      6.56896993    -16.43355704
  H     13.30127800      6.74715435     -9.35886489
  H     19.39269485      8.09108900    -14.54156395
  O     14.15039154     11.18412166    -10.30488354
  H     14.11284182      5.43631411     -9.31922786
  H     11.41751894      8.41246937    -15.80407189
  O     15.80661120      4.81577062    -10.01918078
  H     13.88102324      4.78490617    -15.67415771
  H     11.53083925      9.85750133    -15.25254458
  O     14.63825173      8.30161909    -16.68703446
  H     12.75131305      5.13777489    -14.68740217
  H     13.32923388     11.42321563    -15.62656401
  O     11.42313662      4.45752117    -10.63550917
  H     15.64768741     11.00886673    -15.43451770
  H     12.08823159     12.32742612    -15.80444041
  O     15.29458879      4.56624304    -12.75162517
  H     14.91048719     10.15965904    -16.49486658
  H     12.15866028      5.00440787    -12.14784566
  O     13.58666224      8.40902929    -10.22814621
  H     16.09158793      7.16657604    -16.69320826
  H     12.51431637      6.36555327    -12.81111862
  O     14.92194177      8.34249880    -13.90510343
  H     17.45079357      7.11525832    -15.96976233
  H     12.36516014      6.40640017    -16.58797216
  O     18.44995917      8.16140973    -14.67169038
  H     13.63173698     11.27539346    -11.12512674
  H     11.59447457      6.87910625    -17.84426398
  O     11.17978799      8.97879828    -15.05947525
  H     13.91747934     11.92065334     -9.74629180
  H     12.46077826     10.16600213    -12.58985656
  O     12.41185625     11.56477573    -15.33259392
  H     16.24597999      4.05229551     -9.65199223
  H     12.59920509     11.41315945    -13.46576861
  O     12.66685045      5.41435457    -12.86313812
  H     15.64096907      4.61712792    -10.95486354
  H     16.83931997      7.14697832    -11.95424024
  O     12.08874216      7.19363322    -17.09230612
  H     14.65166946      8.25590610    -15.71849445
  H     16.50471510      5.93326623    -12.85389781
  O     12.67872814     11.10440854    -12.55558067
  H     13.77375483      7.97313752    -16.96149330
  H     16.74247047      9.44517077    -10.87148654
  O     16.99243922      6.76628629    -12.83104931
  H     12.00993167      4.91483401    -10.00907486
  H     15.87751032     10.71088759    -10.93471262
  O     16.68043751     10.30997330    -11.29207190
  H     10.61208902      4.28674489    -10.16503918
  H     15.34400510      7.90204021    -10.30060926
  O     16.26830215      7.61232548    -10.31922029
  H     14.37004053      4.85865437    -12.74400621
  H     16.25619453      6.68963624    -10.03630553
          69
 Energy    -248.60716349478861     
  O     12.47497187      2.67677205    -12.69398171
  H     12.47125747      3.55052040    -13.10228049
  H      8.58459553      7.58600467    -12.17347974
  O     11.09458884      1.04922224     -8.64459333
  H     11.64185214      2.26258060    -12.95024420
  H     12.22314879      5.39784641    -10.46627257
  O      8.57546625      7.10430616    -13.94600312
  H     10.65316115      1.77635581     -8.16864022
  H     12.09181781      3.92692041     -9.99383066
  O     15.54387195      6.07783030     -9.89012306
  H     11.15381368      0.31842894     -8.03471916
  H     12.54866702      5.77336032     -6.97748464
  O     10.77361038      5.73086982     -7.59191991
  H      8.68685716      6.14438010    -13.93554008
  H     13.88543788      5.06235687     -7.32022943
  O      9.86751056      1.64924627    -13.29221740
  H      9.37714921      7.44050462    -14.36491821
  H      9.82976203      1.02362554    -10.06467016
  O     13.09442567      2.40857766    -10.04506936
  H     15.39667503      5.26366250     -9.39242060
  H      8.50458498      1.76570876    -10.29112071
  O     12.06717146      5.40340432    -13.63514137
  H     15.35853603      6.79911093     -9.27574658
  H     15.03271977      8.56152348     -7.41096163
  O      7.59753268      3.17430629     -9.36577363
  H     10.37551853      6.57771029     -7.81923276
  H     14.15693005      7.29258437     -7.55642605
  O     11.08249624      9.03208501    -12.27720262
  H     11.12869455      5.38293591     -8.42736721
  H     14.25405056      3.23766467     -8.98737826
  O      9.45713592      4.41540398    -13.57563075
  H      9.58241012      1.45442089    -12.38183165
  H     15.45810333      3.13987678     -8.02753856
  O      8.83393214      7.58617278    -11.23737814
  H      9.65573594      0.88224076    -13.81749785
  H      9.11498419      4.67146830    -11.83880419
  O     11.65310109      4.78537069     -9.98285086
  H     12.44623453      1.82797049     -9.62540491
  H      9.98205674      4.78148438    -10.55591936
  O     13.50795887      5.83545112     -6.88253936
  H     12.95201943      2.40632276    -11.00501408
  H     12.97981667      7.28548707    -10.99681181
  O      9.14134243      1.18252663    -10.72149359
  H     11.85344995      6.17186240    -14.17958849
  H     14.16407492      6.28329063    -11.01187926
  O     14.52414837      8.05567772     -8.03894243
  H     12.54365603      5.76442212    -12.87286379
  H      8.91651160      3.13327809     -7.99970731
  O     14.81283698      3.74892011     -8.37908487
  H      6.67336136      3.40807188     -9.35675194
  H     10.03195087      3.99477137     -7.36364200
  O      9.07549693      4.85222953    -10.88912425
  H      8.05208782      3.83585637     -9.91756840
  H     11.64435755      8.52617137     -9.38350648
  O     13.29434173      6.46492653    -11.39727586
  H     10.30887629      8.57225238    -11.92545780
  H     13.18953513      8.56033194     -9.21876950
  O      9.73382866      3.08510879     -7.48721212
  H     11.67730938      9.13491985    -11.52544584
  H     11.55790937      8.49290691    -15.39723362
  O     12.47289316      8.67057661     -9.85743483
  H      9.50560134      3.45218453    -13.61096045
  H     11.27750460      8.35165173    -13.88287696
  O     11.24828309      7.88055491    -14.73539275
  H     10.37004354      4.74170938    -13.60268755
  H      9.38567772      8.93171203     -8.33563895
  O      9.86405246      8.21809554     -8.75238515
  H      8.88870694      6.64694965    -11.00901126
  H      9.42652767      8.05847721     -9.60518919
          69
 Energy    -248.60716073611945     
  O     12.23613368     10.69710101    -14.71649763
  H     12.71984652      9.96051857    -15.10916774
  H     19.62969982      8.77074367    -13.02762495
  O     16.11385022      6.32518842    -13.18348187
  H     12.86268372     11.42796701    -14.65215294
  H     15.62278464     10.94008159    -16.91613901
  O     17.21740297     10.43392420    -10.64737310
  H     16.93719577      6.06866343    -12.75145579
  H     16.76016383     11.32870089    -15.94310553
  O     18.12456481     10.46681614    -15.05377055
  H     15.44682587      6.48506376    -12.50122604
  H     16.75212513      9.32196186    -14.49030451
  O     14.98162830      9.62436420     -8.79694110
  H     16.47440666     10.62092018    -11.23827531
  H     16.18045220      8.03884848    -13.77417361
  O     14.10239341      6.97317509    -11.34844322
  H     17.29673912      9.47131201    -10.52962166
  H     11.34030631     10.04628511    -13.36968090
  O     15.13637597     10.92416048    -12.45662476
  H     18.69488163      9.83873494    -15.51658260
  H     10.02155978      9.81416834    -12.59154166
  O     17.18177034      7.62663885    -17.22916610
  H     18.52376260     10.63450191    -14.19028067
  H     16.83559642      7.34158697     -9.68186837
  O     15.23300633      6.90932132     -8.75336258
  H     15.74928838     10.05648198     -9.18539680
  H     17.94291232      7.06699894    -10.72654476
  O     19.53919272      8.34439168    -16.18674304
  H     14.26805201      9.71305386     -9.44564883
  H     12.82094408      6.90848313    -12.80828100
  O     15.44678393      5.94226777    -15.87470941
  H     13.81691106      7.89546409    -11.27402091
  H     11.68689256      7.88140195    -13.18495564
  O     19.74054207      7.88283081    -13.38737866
  H     14.41765097      6.73999016    -10.46713627
  H     19.96894242     11.12776176    -12.13963558
  O     15.93716627     11.64638832    -16.33968014
  H     14.86274738     11.63781170    -13.04381081
  H     18.57100048     10.57444238    -11.79642897
  O     15.96760507      8.92604645    -14.09344488
  H     15.40796443     10.18712185    -13.02664196
  H     19.21013099      5.13441801    -11.92168695
  O     10.94401436      9.57566706    -12.61396452
  H     16.66820739      6.93220670    -16.79100096
  H     19.07776160      6.55894615    -12.51828825
  O     17.53323717      7.76134421    -10.19886339
  H     16.53394519      8.26574888    -17.54314559
  H     14.41746985      9.34910597    -18.57547167
  O     12.26052304      7.19151067    -13.54137137
  H     15.12044819      7.87283763     -8.65667776
  H     14.40911187      8.98532427    -17.07516270
  O     19.26210195     10.58434186    -12.47932524
  H     15.10030160      6.52939982     -7.88950210
  H     13.83824887     10.14805081    -11.52092237
  O     18.61246919      5.87151466    -12.00633791
  H     20.22216066      8.24317947    -16.84362150
  H     12.36898826      9.65199248    -11.41781897
  O     14.94666241      9.37989040    -17.78169439
  H     18.71017904      8.02680425    -16.59122566
  H     14.21338718     13.61724558    -14.58100478
  O     13.22926199      9.61902180    -10.98354983
  H     15.69325436      5.90417598    -14.93934620
  H     14.87456510     12.35354084    -15.18339890
  O     14.27393560     12.67098630    -14.48435845
  H     14.67244947      6.51204064    -15.90094214
  H     14.51511752      8.57631469    -15.05432743
  O     13.70441198      8.35582804    -15.54151698
  H     19.71991615      7.96830561    -14.34846561
  H     13.12886734      7.88089623    -14.92219397
          69
 Energy    -248.60702387242853     
  O     11.10081182      7.73590515    -14.06138281
  H     11.68135875      7.13535304    -13.55925860
  H     17.11482232     12.68762453    -14.86886066
  O     17.62783056      9.15634004    -14.46163320
  H     10.25744623      7.29947013    -14.14539402
  H     12.47566866     12.71245508    -14.73646603
  O     16.18233321     11.68396534    -11.03545610
  H     18.03161369      9.73978013    -13.80404311
  H     10.98573318     12.80214572    -15.13923673
  O     13.98604358     13.52357712    -14.49714619
  H     16.67611772      9.34822013    -14.42757947
  H     14.36349623      9.28803073    -14.75376179
  O     14.76500433      6.00447876    -15.09177468
  H     16.01205531     12.57433649    -11.36368276
  H     14.67207919      9.99637892    -13.39845569
  O     16.39574586      7.52031171     -8.98120161
  H     15.38895414     11.15834126    -11.22070568
  H     13.48848504      6.54781182    -12.19023299
  O     16.76658141      6.82263329    -13.24594445
  H     14.49665132     13.76920726    -13.71770419
  H     13.53169141      5.89892990    -13.58389751
  O     14.07086115     10.09099113    -11.70186116
  H     14.61422141     13.13057550    -15.11739526
  H     20.65902672      9.17032574    -10.38294758
  O     18.42306311      6.98162682    -10.94307873
  H     14.28928089      6.78094086    -15.43225733
  H     19.34947250      8.46064177    -10.80237384
  O     15.70114438     11.87169471    -16.02202220
  H     14.82784537      5.38563510    -15.81542050
  H     16.53703020     13.86571032    -13.03000365
  O     17.78271519     10.35414747    -16.98042579
  H     16.28179492      7.25321664     -8.07345311
  H     16.05794648     15.03563203    -12.13646087
  O     17.62603181     13.09250963    -14.15967996
  H     16.70989270      8.44264882     -8.96756365
  H     17.63966834     11.16565445    -12.01177762
  O     11.68922706     12.18286838    -14.96166158
  H     17.18157169      7.57695252    -13.68892506
  H     19.01684979     10.46082709    -11.92094170
  O     14.99977046      9.84895978    -14.29408519
  H     16.16211797      6.43350009    -13.88942907
  H     16.96320440     10.68514581     -9.66509765
  O     12.93145400      6.14329709    -12.86936232
  H     13.15052887     10.18042755    -11.99247392
  H     18.28600032      9.89963224     -9.53555553
  O     19.76151805      9.33184569    -10.66043180
  H     14.24340327      9.16284670    -11.49204760
  H     12.55331850     11.19145936    -16.32720566
  O     15.84727914     14.14348098    -12.39979049
  H     17.76751348      7.00547138    -10.23464211
  H     13.97486652     11.15319572    -16.90914433
  O     18.43318517     10.94115953    -12.52089155
  H     17.93614462      6.77872898    -11.75178211
  H     15.27079078      7.41963645    -10.43242071
  O     17.42038262     10.02421580     -9.12786769
  H     16.40145299     11.43640760    -16.52939460
  H     15.51889670      7.28774875    -11.95848135
  O     13.12621890     10.69908937    -16.93094944
  H     15.40358704     11.22322861    -15.36231931
  H     11.59290563     10.91926589    -13.57141364
  O     14.83618037      7.45732625    -11.29370388
  H     18.65855361     10.37743697    -17.35768167
  H     11.34700172      9.42605751    -13.25163366
  O     11.62307132     10.26445378    -12.86247357
  H     17.85571838      9.84337550    -16.15864290
  H     12.44848788      8.09548641    -15.29153995
  O     13.26923251      8.21500060    -15.78762788
  H     18.06565814     12.37167840    -13.68831750
  H     13.17268818      9.00922548    -16.33461388
          69
 Energy    -248.60698302702730     
  O      2.03139051     -0.16468398      4.25069887
  H      1.44429347      0.60426488      4.13490846
  H     -3.17700175      3.92841444      0.05987435
  O      1.20330023     -0.16122975     -2.44649297
  H      2.77872193      0.13923644      4.76004485
  H     -2.23251597      0.78144093      5.45662184
  O     -0.04620270     -1.57875713      5.67303006
  H      1.56772573     -0.19928692     -3.32592365
  H     -1.52257290     -0.61420559      5.56645665
  O     -1.28048640     -0.20897518     -1.11521680
  H      1.42297440     -1.00546582     -2.01141493
  H      0.06180765      1.61266893      0.77829417
  O      1.59788481     -2.40685939     -0.98036305
  H      0.69719071     -1.22890213      5.16710635
  H     -1.40199434      2.24256021      0.92740687
  O     -3.87349207      2.54887935      3.20628013
  H     -0.26180357     -2.44456773      5.30735834
  H     -4.18657377      0.35345462     -0.25587134
  O     -3.64743977     -3.98990752      3.61813498
  H     -1.07001475      0.28316794     -0.31392201
  H     -3.00445766      0.54212343     -1.21574878
  O      0.32370338      1.90875864      3.84907099
  H     -0.50492282     -0.13717243     -1.68717504
  H     -2.18647273     -0.32687785      3.50854352
  O      1.57297358      1.16467301      0.05457812
  H      1.87409480     -2.09444106     -0.10921373
  H     -1.62303501      0.28402984      2.18141605
  O     -5.85686875      0.46429482      3.31038153
  H      0.71872278     -2.78994690     -0.86756680
  H     -0.91652222     -2.92418033      0.49296688
  O     -4.68158967     -1.50349595      4.74986158
  H     -4.56451440      1.87548566      3.20036153
  H     -1.33364190     -2.05087634     -0.71737422
  O     -3.00094926      3.10994284      0.51560934
  H     -3.65699152      2.74770392      2.28827009
  H      1.10797938     -1.70040318      1.77560173
  O     -2.35166873     -0.16746367      5.33674347
  H     -4.30046392     -4.67356051      3.74937479
  H      2.14632439     -0.83235199      2.48023167
  O     -0.78691990      1.57207702      1.24866590
  H     -3.63276140     -3.80590053      2.66137105
  H     -2.72638710      2.64935466      4.49502998
  O     -3.81444703      0.96748740     -0.90490273
  H     -0.00044040      1.90942720      2.94058778
  H     -2.27150533      3.33416664      5.80747308
  O     -2.07807867     -0.47987833      2.56099156
  H     -0.41627425      2.21168833      4.38882206
  H     -0.79840403     -4.92269598      4.76914928
  O     -1.20546321     -2.96654323     -0.43240415
  H      1.57716474      0.86871628     -0.86311922
  H     -1.94488052     -4.03099810      4.24076226
  O      1.90419868     -1.17309205      1.61054287
  H      1.77224085      0.38071172      0.58769577
  H     -1.01542744     -1.85707426      2.32404833
  O     -2.06381331      2.62151128      5.20965823
  H     -5.49238544     -0.24773889      3.86762557
  H     -0.47764149     -3.18883842      2.91161387
  O     -1.00199527     -4.03847808      4.47358239
  H     -6.76758580      0.57677251      3.56862516
  H     -4.08936468     -2.53627347      0.92595224
  O     -0.39262549     -2.58455843      2.16699680
  H     -3.89470586     -1.05763944      5.09902740
  H     -2.92727018     -3.39356952      0.37628043
  O     -3.68136700     -3.41198261      0.97670536
  H     -4.37057550     -2.33293132      4.37305855
  H     -3.62094746     -0.67615415      1.64990866
  O     -4.47398210     -0.74060653      1.19158533
  H     -3.35902559      2.39330690     -0.03961032
  H     -5.11986685     -0.36341947      1.80012170
          69
 Energy    -248.60697383686497     
  O     -3.31915127      4.03845022      2.59831080
  H     -3.26654111      3.67803629      1.69711306
  H      1.49354909      7.50822845     -3.61913161
  O      2.10152282      9.37361205      2.30391007
  H     -4.03568477      3.58400552      3.03449492
  H      1.60796878      1.57269270      1.95578149
  O     -0.00651965      8.38078787     -0.90624569
  H      1.49965018      9.92161060      1.78481791
  H      0.48591253      2.63620145      2.03511045
  O      0.70075334      8.74560268      4.54707035
  H      2.14839720      8.52943517      1.83307234
  H     -1.19456807      3.08212299     -3.42605394
  O     -1.52428339      9.44916513      2.87047888
  H      0.03340679      9.22359324     -0.43768983
  H     -2.62634610      3.64556550     -3.11115295
  O      1.61733847      6.97753427      0.91989887
  H     -0.88284508      8.01178599     -0.71667371
  H      1.25022710      3.51343024     -3.03578535
  O     -2.34350248      7.12115268     -0.20611350
  H      1.28771127      9.01667665      3.81771032
  H      1.40852129      5.06869872     -3.01753471
  O     -2.48342270      6.77418848      2.55178475
  H      1.09194278      9.06977327      5.35323110
  H     -0.18309257      4.52808355      3.18651438
  O     -0.98198798      4.84719434     -0.84268479
  H     -2.04397337      8.64043112      2.78908561
  H     -1.46041145      3.69047954      2.98060821
  O     -2.92742355      3.12901126      0.03894135
  H     -0.87089665      9.27316981      3.55964838
  H     -5.17981868      3.53164322     -2.71432676
  O     -0.75753187      1.35038815     -0.61039761
  H      1.06719211      7.42656504      0.26462017
  H     -4.27755042      4.72665803     -2.32149395
  O      0.84725846      6.97597683     -3.15875945
  H      1.79132553      6.08759462      0.58195008
  H     -1.77968917      5.57291981     -4.12037699
  O      1.04651883      2.12722265      1.42073546
  H     -1.87702442      6.30083618     -0.43602941
  H     -0.92649008      6.82464789     -3.95045183
  O     -1.73591840      3.88100891     -3.40062467
  H     -2.49125236      7.08833667      0.74673916
  H      1.61201029      3.58948570      0.39098922
  O      1.82623297      4.23656601     -2.76256211
  H     -2.91769909      5.91656638      2.62536187
  H      1.91321848      4.27647366     -0.99788369
  O     -0.50080894      3.62705277      3.03491327
  H     -1.55316473      6.61583560      2.77352740
  H     -3.28316103      6.58788162     -3.10553708
  O     -4.35255708      3.75361065     -2.29664765
  H     -0.06038267      4.70691439     -0.59718440
  H     -3.55030239      6.78977800     -1.60356882
  O     -1.80588730      6.53604122     -4.21761349
  H     -1.09968016      4.60733039     -1.77146781
  H      0.69006458      6.52325062      2.39828952
  O      1.70452756      4.43416693     -0.06394095
  H     -2.18818409      3.72375232     -0.16723573
  H      0.37872939      7.03638134      3.82566894
  O     -3.93189225      6.41476043     -2.40732940
  H     -3.55543152      3.23912950     -0.68639820
  H      0.42099671      1.07439358     -3.54316639
  O      0.19285482      6.32210695      3.20473960
  H     -0.12944396      1.53250051      0.10082209
  H     -0.15432058      1.63669512     -2.22064365
  O      0.13370878      1.87833171     -3.11929228
  H     -1.58233966      1.77923075     -0.35404999
  H     -0.33530774     11.47886928      0.73072612
  O     -0.06934551     10.57118252      0.85166716
  H      0.58221712      7.49072013     -2.37973475
  H     -0.65607979     10.19711694      1.53360544
          69
 Energy    -248.60632415133239     
  O      0.74373117      0.28658330      3.05926808
  H      1.27160806      0.06376272      2.27896146
  H     -1.99319994      0.76648012      7.22472027
  O     -2.45244913      0.35610836     -3.51433376
  H     -0.18715183      0.18438397      2.80420415
  H      0.05787046      3.37129890      1.74279767
  O     -0.26411732     -1.44848483      5.03585529
  H     -2.34901434      0.77660480     -4.36403736
  H     -0.94030816      3.00069621      0.62147448
  O     -4.17611618      0.26832920     -1.26305722
  H     -1.66046803      0.57647818     -2.99449558
  H     -2.98941820      1.32461599     -0.29761518
  O     -1.88519740     -2.38469749     -2.69893943
  H      0.26300371     -0.91495048      4.42611455
  H     -1.47612976      1.35959692     -0.51050166
  O      0.16753087     -1.80467098     -0.91826521
  H     -0.78202209     -0.81880542      5.55077334
  H     -2.57746486     -0.03122045      2.93958502
  O     -4.14085067     -2.85505458      3.61713415
  H     -3.76212417      0.37682014     -2.12727451
  H     -2.09124826      0.63608033      1.59181314
  O      0.41248835      2.94656413      3.52805988
  H     -3.96873031     -0.63661450     -0.98291331
  H     -2.84202597     -2.46494183      0.15781689
  O     -0.32713925      0.76198083     -1.81436088
  H     -2.56344388     -2.51969875     -2.02328265
  H     -4.38527411     -2.45316487      0.13778652
  O     -4.60483789      2.17836545      3.19732276
  H     -2.12885594     -1.56578826     -3.14495080
  H      1.53481465     -0.85084723      0.08725787
  O     -3.81401555     -0.22434994      4.38509667
  H     -0.39285825     -2.12767691     -1.63940885
  H      2.03428986      0.60739971      0.16549172
  O     -1.91826754      0.53375899      6.30310224
  H     -0.26741560     -2.10294595     -0.10653073
  H     -2.86740110      2.64995510      4.07170047
  O     -0.10381491      3.45199179      0.79451242
  H     -3.25504870     -3.22398592      3.70302047
  H     -1.33558242      2.88566113      4.22766412
  O     -2.17184959      1.65475994      0.09508272
  H     -4.08716948     -1.95534516      3.97252952
  H      2.42178869      2.90135985     -1.08448261
  O     -1.86925703      0.00353026      2.28807025
  H      0.61710785      2.00247181      3.40923340
  H      1.15151230      2.77040446     -0.20717988
  O     -3.60691638     -2.33946722     -0.42173039
  H      1.12779494      3.32299348      4.03468857
  H     -0.97478278     -2.87446309      4.29832240
  O      1.98700605     -0.21950449      0.66028546
  H      0.44332579      1.30975715     -1.62182558
  H     -1.00087913     -4.41727717      4.21980367
  O     -2.15246763      2.71730068      4.71431329
  H     -0.13267138     -0.13215418     -1.49435315
  H     -1.31944532     -3.04354274      2.05191563
  O      1.76799920      2.27872615     -0.77949019
  H     -5.29131843      2.82424340      3.34591996
  H     -1.56835567     -1.59146195      1.60591480
  O     -1.38197831     -3.63051019      3.83923698
  H     -4.90236913      1.63602982      2.44466102
  H     -6.49892582     -2.83755419      1.53327914
  O     -1.38900764     -2.48381720      1.27091841
  H     -4.23026367      0.60661191      4.12263308
  H     -5.14629888     -2.59497565      2.24456586
  O     -5.68493569     -2.34505208      1.47188309
  H     -3.23401728     -0.03334555      5.13367433
  H     -5.59471174     -0.42581089      1.39901481
  O     -5.44226950      0.51112446      1.22550817
  H     -1.95010643      1.36624669      5.79773187
  H     -5.16687850      0.55682595      0.30113693
          69
 Energy    -248.60618879456348     
  O     15.87466962      6.79630155    -12.87729456
  H     16.60300020      7.11342206    -12.32572501
  H     19.42353280      7.65799683    -14.27433299
  O     17.40159174     10.67272211    -11.18716263
  H     15.05341080      6.90628996    -12.38141649
  H     14.96376072     10.82595430    -16.82139690
  O     17.66547031     10.79168038    -15.45387424
  H     17.15433301     10.67926823    -10.25376295
  H     16.08496159     11.63788697    -16.15707176
  O     13.70623123      6.56007477    -16.47265250
  H     16.62261001     10.96504427    -11.68058982
  H     15.34503274      9.01345977    -15.22800332
  O     13.85716022      9.64298423     -8.74516125
  H     18.35209066     10.95807241    -14.79423033
  H     15.80081268      8.28910407    -13.92117913
  O     13.46853749      7.28641593    -11.56963760
  H     17.05050997     10.17762243    -15.02421275
  H     12.28065880     11.07768651    -14.20281390
  O     15.11072837     11.19846431    -12.68118704
  H     13.10853192      5.94935567    -16.89569296
  H     10.82437635     10.56932092    -14.21762776
  O     17.77655874      9.09275262    -17.59839684
  H     13.25531129      6.88303359    -15.67189270
  H     16.81979032      8.50264915     -8.68385827
  O     14.22800098      6.79234258     -8.91664928
  H     13.85649300      8.67882503     -8.69809675
  H     17.31204724      7.54373466     -9.77874500
  O     18.57597166      7.12060562    -15.67670831
  H     13.41830890      9.86759196     -9.57600542
  H     12.77063131      7.32021308    -13.35254697
  O     16.24054551      5.66832467    -15.37866313
  H     13.30647506      8.23693858    -11.49019590
  H     12.26062835      8.50137011    -14.20215073
  O     19.89354931      7.96983164    -13.47977232
  H     13.64468634      6.97359379    -10.67318539
  H     19.63510522      9.87179604    -13.34763262
  O     15.17391768     11.70315995    -16.47223403
  H     14.62576778     11.82790438    -13.22479372
  H     18.80707604     10.87105057    -12.51286676
  O     15.71523596      9.15031114    -14.34774602
  H     15.30895336     10.44479930    -13.26266601
  H     17.75646138      8.89040068    -11.40139032
  O     11.70567562     10.34807116    -13.92401980
  H     18.26208892      9.42118764    -18.35077108
  H     18.68507103      7.86383861    -12.10038599
  O     16.82364135      7.57371288     -8.94503057
  H     17.85251221      9.76574492    -16.89921106
  H     15.51062898     10.20689972     -8.58596749
  O     12.51740932      7.57352773    -14.24892784
  H     15.18254007      6.98858652     -8.92272216
  H     16.59815829     10.91408818     -7.74352876
  O     19.36040378     10.79677016    -13.30050591
  H     14.09493844      6.09429697     -8.28133906
  H     12.33131177     10.14142459    -12.10588016
  O     17.95527352      7.94553886    -11.47346902
  H     18.38557518      7.72020466    -16.40524742
  H     13.77804131     10.45827340    -11.71133571
  O     16.46365551     10.40045453     -8.53562639
  H     17.80799758      6.53434426    -15.60887063
  H     14.02682173     12.22875179    -15.31177177
  O     12.96622354     10.03929722    -11.38829317
  H     15.40619530      5.86934062    -15.81487360
  H     13.23612584     13.40500105    -14.69068040
  O     13.41506986     12.47356849    -14.59325052
  H     16.10693066      5.90278731    -14.44820116
  H     15.89235352      8.82640269    -17.38079954
  O     14.98688986      8.96226128    -17.07034610
  H     20.75852818      7.56926614    -13.50134144
  H     14.54740355      8.10309958    -17.02905206
          69
 Ord_Energy   -248.606125    
 O   -5.45765257       3.90665364       7.24508905    
 H   -5.00397444       3.63865781       8.05343246    
 H   -6.40899467       3.88609672       7.42315483    
 O   -5.52434921      -2.14424729       6.45664930    
 H   -5.64276266      -2.13803840       5.49932671    
 H   -4.68980646      -1.67986584       6.60286331    
 O   -5.57367277      -1.79030848       3.57146311    
 H   -5.60776711      -2.53991747       2.97946334    
 H   -4.67033005      -1.44351900       3.51665115    
 O   -8.87098598       4.90134430       2.51823878    
 H   -8.93697929       5.43505049       1.73126030    
 H   -8.18329811       5.30785561       3.07746315    
 O   -8.83618546       6.17478609       6.54442835    
 H   -9.49616337       5.73975658       5.97419071    
 H   -9.23358154       6.98242188       6.85908699    
 O   -9.63356495     -0.523277164       5.83572960    
 H   -9.13119030     -0.601009727       5.00298977    
 H   -10.3702021      -1.12460732       5.77571154    
 O   -5.42482758       2.58575797       3.59187436    
 H   -5.50315905       2.03757453       4.38942385    
 H   -5.18000984       3.46758580       3.90377545    
 O   -4.53577042       4.90571642       4.88898659    
 H   -3.60729742       4.64541864       4.88651085    
 H   -4.87026119       4.63505888       5.76013088    
 O   -2.78878856       1.78460801       3.19826126    
 H   -3.71783400       2.04908156       3.14364409    
 H   -2.39059353       2.39155269       3.83347106    
 O   -1.98124516       3.65941811       5.20214224    
 H   -2.12971473       3.13625288       6.00996399    
 H   -1.12143803       4.06175852       5.29539442    
 O   -3.37230492     -0.284096599       6.30077267    
 H   -3.08428216     -0.529038370       5.41382933    
 H   -4.14109802      0.297784120       6.18251514    
 O   -5.60744953       1.34777665       6.01692390    
 H   -6.28407431      0.822427392       6.46286345    
 H   -5.51968622       2.18271232       6.49431419    
 O   -10.4566126       4.74717712       4.89101934    
 H   -10.2541800       3.84381604       5.17067957    
 H   -10.0857964       4.83252954       4.00345325    
 O   -8.14693928     -0.509719431       3.59003234    
 H   -7.24575281     -0.849612534       3.55520010    
 H   -8.12732124      0.395773888       3.25177288    
 O   -7.07722759       5.98067617       4.24279547    
 H   -7.51722956       6.11108112       5.09112549    
 H   -6.15924358       5.74945641       4.43013334    
 O   -6.89089108       1.69950032       9.32031441    
 H   -7.44658041       2.39117193       8.94012165    
 H   -7.06618071      0.904952049       8.79718781    
 O   -9.30527210       2.26415205       5.59623241    
 H   -9.56543446       1.35026348       5.75881958    
 H   -8.82487297       2.26686478       4.75623083    
 O   -2.40682292       2.10130048       7.39982033    
 H   -2.98233294       2.25011611       8.15850925    
 H   -2.59105468       1.20011902       7.10102034    
 O   -8.08195972       2.25748777       3.06297755    
 H   -7.12606430       2.38924909       3.15544057    
 H   -8.43665409       3.09248853       2.73518991    
 O   -2.92220521     -0.870221674       3.53919601    
 H   -2.83155179       8.40699822E-02   3.36158895    
 H   -2.14269853      -1.29062164       3.18609905    
 O   -7.33607244     -0.329044998       7.44923019    
 H   -8.17631054     -0.453628570       6.99257946    
 H   -6.76153469      -1.07111645       7.20727110    
 O   -8.16408443       3.69344115       7.68784142    
 H   -8.54694748       3.13519025       6.99474001    
 H   -8.41834545       4.59916782       7.47019863    
 O   -4.34323120       2.62828517       9.46816635    
 H   -5.22535372       2.21419311       9.48237610    
 H   -4.13072014       2.84259319       10.3726625    
          69
 Energy    -248.60598301338183     
  O     13.61670215     12.35069289    -14.23880117
  H     14.51743450     12.66566459    -14.10648738
  H     18.86295563      6.42627999    -13.38619922
  O     14.22288721      6.49690165    -14.13302117
  H     13.68402071     11.67644972    -14.93098506
  H     17.04850815     11.14087998    -16.76984854
  O     19.47131442      9.58132487    -15.15227175
  H     13.61856749      6.70328578    -13.40905002
  H     17.17182202     11.91112188    -15.42465208
  O     11.68377077      8.78194759    -16.34127508
  H     14.76502435      7.29197156    -14.24406516
  H     15.14422878      9.29372559    -15.10252408
  O     15.71312172      8.17458238     -9.67868018
  H     20.31272711      9.82815016    -15.52801525
  H     16.41467419      8.37066627    -15.06448169
  O     12.83709389      7.32246323    -11.84423424
  H     18.82987082     10.25048373    -15.45068859
  H     12.52242826     11.76855859    -13.04913391
  O     16.37477298     10.45372597    -12.48098108
  H     11.51077804      8.76608741    -15.38269792
  H     11.32930718     12.01919518    -12.09311787
  O     15.95861300      7.84944175    -17.97176504
  H     10.83721407      8.87475254    -16.76962205
  H     11.65317642      8.22155708    -13.04179330
  O     14.62782154      5.65243619    -10.37853596
  H     15.02989170      8.76978575    -10.01412814
  H     11.41976748      9.72985219    -13.24387460
  O     17.79150119      7.43752609    -15.88582224
  H     15.39014376      7.27929691     -9.83988321
  H     18.94906593      8.36840959    -12.02857937
  O     13.65242266      6.76216058    -16.87467143
  H     13.28675377      6.68120107    -11.28077081
  H     19.42098613      8.62840491    -13.48764919
  O     18.52098495      5.62965928    -13.83144969
  H     13.23430146      8.18039807    -11.63257462
  H     16.89651084      5.17499837    -12.97074939
  O     17.65595333     11.36452708    -16.05460267
  H     16.20783378      9.80930201    -13.18832143
  H     15.39942792      5.41850018    -13.23765262
  O     15.73004725      8.78546582    -14.52429453
  H     17.00931837     10.06869119    -11.86556776
  H     17.24410804      8.74073228    -10.24349332
  O     11.94339309     11.35130914    -12.38499384
  H     16.65770119      7.57314847    -17.36607169
  H     18.51881311      9.53303896     -9.87737708
  O     11.28666404      8.86804752    -13.65745729
  H     15.14505992      7.42002648    -17.66751091
  H     15.86921358     10.80335509    -19.03622626
  O     19.38655932      7.96454571    -12.78780526
  H     14.47653546      4.86605208     -9.86151879
  H     15.92440290      9.53943682    -18.14100235
  O     16.01837068      5.02737401    -12.60389439
  H     15.18109912      5.38766772    -11.13612251
  H     13.23695261     10.38949328    -11.46350112
  O     18.03440295      9.17270528    -10.61561165
  H     17.98930645      6.71017032    -15.28260024
  H     14.74593126     10.10338031    -11.65590298
  O     15.86383066     10.51390263    -18.12849718
  H     18.45956361      8.11841219    -15.73123263
  H     16.42900847     11.98942216    -13.32416435
  O     13.95663828      9.81262010    -11.17911895
  H     13.82707883      6.48386595    -15.96548980
  H     16.87050936     13.46997237    -13.42402334
  O     16.40789301     12.77983562    -13.89263753
  H     12.90557090      7.36762727    -16.80482127
  H     13.20351567      9.81152860    -16.29066050
  O     13.99024368     10.33223373    -16.08257954
  H     19.23776178      5.00118705    -13.86333265
  H     14.51290637     10.44712425    -16.88640084
          69
 Energy    -248.60594021059367     
  O     16.96284902      9.51846837    -14.84400518
  H     17.61708831      8.80533198    -14.87505918
  H     17.71133993      3.16179743    -14.31057623
  O     14.69292105      7.46312724     -8.78556522
  H     16.14711502      9.18011915    -15.23580674
  H     15.27801019      6.94788227    -10.46923503
  O     12.69601553      9.01829486    -10.12112763
  H     15.17771892      8.29320328     -8.62430841
  H     15.66376138      7.82608104    -11.68769009
  O     14.57799959      8.40701047    -15.63051333
  H     14.67314138      6.98982356     -7.95852521
  H     18.39256237      6.33502458    -15.94570363
  O     18.90571801      7.57269817    -14.66922827
  H     12.98755163      9.90184264     -9.86484655
  H     17.17797368      5.90706469    -16.81088180
  O     20.69426027      9.44575586    -13.58731355
  H     13.27399021      8.40282017     -9.65510440
  H     17.65082771     11.82874881    -11.29215474
  O     18.00453678      6.15347703    -12.45557985
  H     14.31483056      7.85578678    -14.87920793
  H     17.71978097     13.36894587    -11.39351771
  O     11.83266105      8.66590563    -12.65187679
  H     14.79566514      7.79309708    -16.34283947
  H     15.06180324      5.65697188    -16.59591300
  O     13.39438598     10.56801617    -14.12138186
  H     18.60309905      7.10041845    -13.87875985
  H     14.97190394      5.92193074    -18.11875899
  O     14.60607435     11.94039110    -12.09570381
  H     19.63869601      8.13834589    -14.39727790
  H     15.30052646     10.14652390    -12.22375747
  O     13.81591076     11.56328635     -9.52870268
  H     20.09426814     10.20121583    -13.72110275
  H     16.32927825      9.46323327    -13.16748951
  O     17.36509764      4.04763342    -14.23868223
  H     21.57112259      9.74653316    -13.80926140
  H     18.14681757     10.86521178    -14.43926451
  O     15.54762693      6.90696176    -11.39402231
  H     17.84458788      5.34345858    -12.95712886
  H     18.40644930     11.90780633    -13.33776155
  O     17.98558695      5.58138425    -16.39626466
  H     17.16406003      6.36911083    -12.02751578
  H     18.58203401      9.59462224    -10.59282953
  O     17.40946911     12.58946877    -11.84854463
  H     12.11294251      8.78404887    -11.72646978
  H     17.16978107      9.91756426    -11.09986882
  O     15.33357888      6.26708013    -17.30663982
  H     10.88130827      8.59972613    -12.64505023
  H     12.99729205      7.32232969    -13.21915801
  O     15.94204094      9.43092007    -12.28142007
  H     13.78361899      9.99968147    -14.79577270
  H     14.34067096      6.71548229    -12.73873140
  O     18.84454540     11.39263624    -14.02381403
  H     12.78152128      9.99839026    -13.63792893
  H     20.08786128      8.61746612    -11.97047510
  O     17.86007688     10.23094699    -10.49437082
  H     14.20504977     11.64397129    -12.92787975
  H     19.17990882      7.45380001    -11.51773478
  O     13.73558446      6.76400529    -13.49222980
  H     15.50595004     12.25354697    -12.24597622
  H     15.23854851     10.53507358     -8.77546473
  O     19.62794546      8.24866889    -11.20550273
  H     13.38484146     12.33969004     -9.18116904
  H     16.67050012     10.02769247     -9.07040990
  O     15.89269376      9.87366170     -8.51795853
  H     14.06602608     11.76669252    -10.44684483
  H     14.27414132      5.33301893    -14.53620471
  O     14.70734312      4.73136451    -15.15759252
  H     17.63311521      4.51950915    -15.04827875
  H     15.51687535      4.42768909    -14.73022090
          69
 Energy    -248.60593990567179     
  O     17.66492426      8.27226359    -11.93000169
  H     16.95401315      8.85334177    -12.24464312
  H     13.91873728      9.19746235    -15.73655382
  O     12.05074006     11.84842276    -12.49217552
  H     18.05716480      8.71010905    -11.16146855
  H     15.60313935     10.72710340     -6.29611854
  O     19.47738047      9.01468112    -13.86785101
  H     12.60903706     12.06699979    -13.26167648
  H     15.29514759      9.63985025     -7.35162380
  O     11.52630917      9.33778680    -13.77263457
  H     11.41457688     12.55276176    -12.40308026
  H     13.21369057     11.11674667    -11.27695600
  O     15.76622811      6.51394487    -10.92534889
  H     20.13157909      8.34955361    -14.06882969
  H     13.65580959      9.77132094    -10.59825359
  O     18.66273268      9.84301024     -9.88350779
  H     18.87098655      8.62289598    -13.21712071
  H     18.40033475      8.83491829     -8.37107439
  O     16.34548938     11.47533898     -9.68486792
  H     11.60048060     10.17337482    -13.29731144
  H     17.36204777      9.09191673     -7.27548391
  O     11.81363267      7.00528468    -12.45161830
  H     12.00957680      9.45662856    -14.59975543
  H     16.89834792     12.50931181    -13.48021025
  O     17.44869929     10.07191234    -15.55235133
  H     16.02008665      6.29070485    -10.02110210
  H     16.85215602     11.58108949    -14.75903055
  O     14.39277509      6.14288469    -13.43178849
  H     16.49227344      7.03740113    -11.29299337
  H     16.73357778      5.49478315     -7.66696175
  O     15.21797415      8.29728465    -14.95436711
  H     19.26925086     10.29121526    -10.49040270
  H     17.08057271      6.96780275     -7.98773786
  O     13.19043270      9.76465115    -16.04262453
  H     17.87203690     10.39578867     -9.81656166
  H     15.86697529     10.72057110    -13.25894517
  O     15.89713673     10.37406327     -7.13173426
  H     15.49141640     11.25184817    -10.08330508
  H     14.98319731     10.14291910    -12.11771016
  O     13.91951493     10.68624286    -10.77770073
  H     16.25454101     11.24616716     -8.75053788
  H     19.86926787     10.52704862    -12.69585542
  O     17.96994840      8.42151039     -7.60941275
  H     11.67175695      7.83099459    -12.94868244
  H     19.22836099     11.76765051    -12.02774156
  O     16.34780313     12.20362305    -14.21058626
  H     10.99662530      6.51573443    -12.49073648
  H     14.27198573      7.51802472    -10.60903559
  O     16.46904209      6.23976155     -8.20000493
  H     18.21258238      9.71265006    -15.08316756
  H     12.78832308      7.64867022    -11.02024225
  O     15.64577868      9.91236753    -12.77865720
  H     16.78235321      9.37394348    -15.54724343
  H     17.82290696     13.75912263    -11.47754635
  O     19.94856169     11.13019840    -11.94680217
  H     13.48872374      6.34521156    -13.16131796
  H     17.17744014     12.43498162    -11.02785326
  O     13.45392670      7.99990597    -10.41657845
  H     14.89938822      6.09090647    -12.61183166
  H     14.55284787     12.35596140    -14.56225892
  O     17.64405360     12.86476108    -11.76200940
  H     14.97391448      7.43550049    -14.58860539
  H     13.47842356     11.47023628    -15.23594186
  O     13.59846826     12.23369473    -14.65767272
  H     15.32042986      8.87118950    -14.17953783
  H     13.90463435      8.14977553     -8.60164806
  O     14.40603618      8.19184813     -7.77736033
  H     13.08705580      9.60031261    -16.97625790
  H     15.01825252      7.44631805     -7.81394588
          69
 Energy    -248.60534770731317     
  O     16.88343683     10.77005960    -13.56089184
  H     16.23158266     11.32914114    -14.00476033
  H     12.37329936      8.21287883     -7.91609221
  O     15.42481198      6.64752709    -11.19016808
  H     16.38659387     10.22524671    -12.93123123
  H     13.95306318     12.89917366    -11.43165617
  O     11.59252382      8.35867844    -13.05222065
  H     14.46728672      6.55342331    -11.10790859
  H     15.48083390     12.98474344    -11.68406787
  O     12.79701588     12.22745310    -10.12163039
  H     15.68353021      6.21685284    -12.01761764
  H     14.86046446      9.69613640    -11.09903932
  O     13.33518810      5.79938323    -16.02984349
  H     12.26486575      8.84919195    -13.54691221
  H     15.33758226      8.38409900    -11.75137094
  O     16.13796879      5.67471910    -13.67532392
  H     11.24556851      7.68797243    -13.65366299
  H     17.60785524      9.65905055    -14.71769757
  O     13.71468409      9.66323173    -14.22949252
  H     12.24592545     12.84489495     -9.64751092
  H     18.53085872      9.33356908    -15.91722785
  O     17.30054707     10.29603129     -9.19466603
  H     12.21132369     11.51839375    -10.44268994
  H     11.59763191      5.01982861    -13.46308696
  O     14.26067148      3.68962516    -14.31384157
  H     13.69202144      5.01513661    -15.59441972
  H     12.30257845      5.12589781    -12.10066499
  O     14.51611870     10.16219900     -9.30495265
  H     14.03001445      6.46878690    -15.98292642
  H     17.82475291      6.53015672    -13.26352327
  O     17.79126134      7.97484226    -10.48115370
  H     15.84261806      6.37255051    -14.27745410
  H     18.42852288      7.79937506    -13.86230917
  O     12.50002204      8.35493725     -8.85055518
  H     15.60692753      4.89545853    -13.87978191
  H     11.51628826      9.45787612    -10.11250265
  O     14.61476121     13.16567321    -12.07919706
  H     14.16901809      9.52867569    -13.38067538
  H     11.26794231      9.55480505    -11.63017160
  O     15.12988436      9.30917857    -11.93875880
  H     13.90211344     10.57299747    -14.48846416
  H     12.31668374      7.25741981    -11.76113752
  O     17.87649688      8.95646971    -15.33491241
  H     17.51453142      9.47195127     -9.67016337
  H     12.53605911      7.11351374    -10.23487153
  O     12.13979835      4.52277056    -12.83794633
  H     17.92571553     10.36604023     -8.47820524
  H     11.78200244      6.13848387    -15.30574757
  O     18.47550712      7.22307696    -13.09198117
  H     14.27025595      2.73959222    -14.38997977
  H     10.23886812      6.09369199    -15.40999192
  O     11.29430701     10.07720923    -10.81840095
  H     13.51617545      3.91847569    -13.72858533
  H     17.24960242     11.69810976    -10.48264141
  O     12.64172140      6.65429426    -11.07683275
  H     15.46138973     10.30178468     -9.16019247
  H     17.28648967     11.87333595    -12.00879352
  O     10.95572932      6.25610634    -14.80283666
  H     14.08335317     11.00887435     -9.47757701
  H     14.74651359      8.40187873    -15.08571377
  O     17.11326023     12.34532736    -11.18463251
  H     18.20161665      7.80542442    -11.34051441
  H     16.19954438      8.11467447    -15.55165086
  O     15.32900666      7.71401994    -15.43659257
  H     17.00108121      7.41890226    -10.48161772
  H     14.62592064     12.98915268    -15.21530998
  O     14.70615117     12.26842027    -14.59748156
  H     13.27459515      8.93557201     -8.94473908
  H     14.60809869     12.64940630    -13.70408118
          69
 Energy    -248.60510256725183     
  O     18.82522952      8.80362986    -11.70164297
  H     17.90309361      8.91226732    -11.41489279
  H     18.39273372      3.58728791    -11.53636930
  O     12.34146507      8.38959369    -11.24881274
  H     18.78026204      8.48951021    -12.61436523
  H     13.82281554      7.24166786    -11.36579574
  O     13.14929526      9.93689423    -13.52328330
  H     12.64289840      9.12274057    -10.68139823
  H     15.30080834      7.67195345    -11.32071582
  O     18.26461538      7.69828320    -14.15648006
  H     11.43196655      8.22247795    -11.01618897
  H     19.93661109      5.04487018    -11.17317302
  O     19.17276406      6.40792634    -10.36293340
  H     13.49653110      9.38285121    -14.23430917
  H     21.00458566      3.93371457    -11.30808839
  O     19.14821282      8.01207114     -8.04305476
  H     12.79677642      9.34490604    -12.84843039
  H     17.84138657     11.22672554     -8.90520277
  O     16.55545164      5.55355958     -9.82405864
  H     18.81312684      6.91247188    -14.28950089
  H     16.47314975     11.93106149     -9.13643472
  O     14.52564763      8.42399851    -15.51097254
  H     17.36416565      7.35944091    -14.06114465
  H     19.77381749      4.84859179    -13.46274648
  O     15.14521918     12.56618398    -10.38355779
  H     18.26243488      6.11282300    -10.21605161
  H     18.55409742      4.69067579    -14.37807767
  O     16.81208896     10.06630282    -14.80820183
  H     19.12497642      7.22275074    -10.88269597
  H     15.96114245      9.24807716    -10.06391420
  O     15.44255235     11.14248771    -12.67893972
  H     19.28203776      8.89612014     -8.40295006
  H     15.91701840      9.83066095    -11.52780481
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  H     19.34168897      7.40260198     -8.76858127
  H     19.33734204      9.93601925    -10.40248814
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  H     15.83895444      5.94253558    -10.34476059
  H     20.27868332     10.93372856     -9.69473563
  O     20.18428009      4.25015508    -11.67706527
  H     16.50998383      5.94085657     -8.94122066
  H     15.80681634      8.49876648     -7.88635850
  O     17.00582139     11.45929688     -8.48274618
  H     14.29561527      8.10977424    -16.38176545
  H     16.00560368     10.03326034     -8.16225634
  O     19.38317925      5.17502379    -14.28242563
  H     14.91139454      7.67049102    -15.03313527
  H     16.00768949      5.56031517    -14.10522155
  O     16.23996843      9.10392303    -10.97736683
  H     14.91042412     13.47856681    -10.53457566
  H     15.31356051      6.54418991    -13.11259666
  O     19.46692770     10.44393017     -9.58465833
  H     15.29445745     12.17016185    -11.25931379
  H     17.62096982      7.36572211     -7.51554783
  O     15.41289002      9.27537861     -8.29655896
  H     17.47574936      9.37532675    -14.69281734
  H     16.75062347      6.63685123     -6.46252762
  O     15.70021613      6.46927554    -13.99633570
  H     16.04343192      9.61957354    -15.18450407
  H     13.74653185     11.20361855     -9.91528696
  O     16.74489142      6.96964704     -7.35630116
  H     16.04476316     10.91656299    -13.40154665
  H     13.91003544      9.94682726     -9.05517467
  O     13.30626753     10.38173273     -9.67599663
  H     14.56505835     10.82572025    -12.94548682
  H     16.51791568      3.08162787    -14.55363001
  O     16.77502363      3.90048421    -14.13855853
  H     17.07623308      4.05967944    -10.87556870
  H     16.95213538      3.69709492    -13.20236979
          69
 Energy    -248.60502775130757     
  O     -1.15748936      7.24472016     19.23586950
  H     -1.95435801      6.79072590     19.49588487
  H     -0.50221324      8.87613693     19.79105568
  O      4.71976286      9.72689624     20.28536063
  H     -0.40868624      6.68001144     19.50147376
  H      0.87932380     11.39744071     20.07348484
  O      1.82925065      7.19572438     15.37923697
  H      5.21643377     10.30561476     19.69389040
  H      1.82643726     11.99500903     19.01851975
  O      3.28265132     11.25590095     21.99989560
  H      3.95269754      9.40219104     19.78767518
  H      4.98493000      9.26880527     16.64346383
  O      3.38237826     14.26650113     20.02803567
  H      0.98132607      7.47921105     15.77172290
  H      6.09418422      9.88238028     17.51655945
  O      2.74163656      6.58605442     22.04467524
  H      1.62753303      6.82029936     14.52713415
  H     -0.34753025     10.49803154     18.26869923
  O     -0.40256254      8.04321449     16.58565781
  H      2.65670711     11.59092168     21.34129509
  H      0.42439132     11.26429593     17.18211986
  O      4.46751011     13.61896299     17.62382577
  H      3.88644641     10.67873813     21.50524821
  H      2.56838474     11.15777059     16.77876481
  O      1.41031127      9.09898335     22.30170766
  H      2.62179022     13.67387621     20.09004350
  H      2.96041651     12.58717870     17.21636742
  O      2.53141733      8.79534994     18.90120875
  H      3.90456409     14.11880985     20.82479179
  H      5.54363966     12.15729405     18.16710912
  O      1.03005095      5.82384814     19.90428340
  H      3.59474815      6.70311907     21.59105151
  H      6.56108829     11.89512400     19.29873983
  O      0.02868272      9.64587734     20.03539611
  H      2.91064807      6.02992772     22.80128912
  H      4.72935159     13.85661173     23.21645815
  O      1.56016918     12.06765194     19.94731909
  H     -0.42518075      9.00491577     16.69913649
  H      4.30753386     12.64365517     22.35397773
  O      5.84512873      9.07977830     17.04247152
  H     -0.73484977      7.67410403     17.41110753
  H      2.94557307      9.30871012     17.24382183
  O     -0.35295383     10.71151698     17.32866321
  H      4.12896880     13.93673993     18.47992676
  H      2.75573667      8.80476737     15.80204430
  O      2.23420959     11.95216103     17.21967424
  H      4.78132593     14.38400811     17.14880929
  H      5.32803801      6.73063004     19.86754105
  O      6.08225720     11.46757050     18.57370541
  H      1.88073114      8.25650875     22.26205420
  H      5.11308500      7.99449839     20.70625834
  O      4.86388446     13.44203608     22.36796551
  H      2.07725287      9.78561167     22.42019030
  H      6.38549057     13.01280215     21.38132837
  O      3.16354930      9.50914637     16.31856437
  H      2.52831663      7.85324321     18.68690099
  H      7.87490736     12.63833384     21.37529922
  O      5.08759868      7.02758785     20.75224249
  H      1.66499782      9.03257454     19.24828553
  H      6.32594115      6.01888870     17.61648793
  O      7.11330728     12.73263359     20.80752785
  H      1.56782264      6.03595512     20.67684428
  H      5.74619816      7.45056036     17.65760061
  O      5.61185942      6.53942555     17.97481000
  H      1.64328818      5.75674452     19.15923945
  H      2.52902540      6.43788999     16.93628655
  O      2.82500020      6.20458680     17.82598842
  H      0.42079555      9.45078615     20.90332549
  H      3.79085136      6.22869198     17.82998183
          69
 Energy    -248.60499432526194     
  O     16.30141499      7.63740848    -10.60169835
  H     16.60079825      7.11175951     -9.84985866
  H     12.09811874      8.94585781    -15.33508918
  O     10.85594413      9.28259092    -12.10639809
  H     15.33307380      7.62607819    -10.55364107
  H     13.86781570      5.66815525    -13.50582195
  O     12.68277204      3.60642529    -11.68462803
  H     10.96535105      9.10064828    -13.05020770
  H     15.18868199      4.93258254    -13.29906419
  O     13.36005433      5.17528779    -16.21539538
  H     10.53677943      8.46658765    -11.70385717
  H     12.89903849      7.83221917    -13.83272988
  O     10.00397809      6.79944299    -10.87161343
  H     13.24629483      3.96387427    -12.38849666
  H     14.44952018      7.60901777    -13.83851824
  O     16.85303980      5.68998092     -8.63240476
  H     13.25518936      3.02198242    -11.17315369
  H     15.97134895      9.37877597    -11.45116502
  O     12.93502880     10.41681397    -10.80682390
  H     13.71738390      4.85513371    -15.37703478
  H     14.71170971     10.27789641    -11.54291800
  O     14.86478541      7.15927056    -17.23980965
  H     12.43342071      5.38954888    -16.04942819
  H     14.54107355      2.99716736     -9.37742778
  O     14.32557107      4.33307379     -8.26061359
  H     10.71490189      6.37995827    -10.35956931
  H     14.74396117      1.49878811     -9.70677990
  O     10.70829148      5.92906209    -15.53870765
  H      9.21347457      6.73824465    -10.33987466
  H     13.55648916      7.59811841    -11.61347043
  O     13.55825133      9.49447963    -16.20497255
  H     17.56204184      5.58472076     -8.00320768
  H     13.30987022      8.63526411    -10.49250489
  O     11.46967508      8.53082993    -14.72375130
  H     16.99666674      5.02422390     -9.33002003
  H     11.18403099      4.37594773    -12.58239229
  O     14.27371680      4.78896258    -13.57074976
  H     12.16567909     10.09526718    -11.31230763
  H     10.29919782      5.61695111    -12.33391117
  O     13.63438940      7.43220505    -13.35273689
  H     12.62765852     11.14354241    -10.27218739
  H     12.35205555      4.87335001    -10.39295034
  O     15.58931238     10.13190092    -11.91750074
  H     14.30986553      6.42003817    -16.93107636
  H     12.73432011      6.33473893    -10.00209567
  O     14.65651210      2.36051513    -10.10607112
  H     15.16469377      6.93194948    -18.11539097
  H     16.26881892      3.33788385    -10.67762014
  O     13.56370736      7.71783233    -10.64940105
  H     13.56886908      4.83921729     -8.58247398
  H     17.01009663      4.43431684    -11.49985909
  O     10.57470204      4.98862127    -13.01207156
  H     15.09309941      4.91709995     -8.28671786
  H     16.33459656     11.17264150    -14.78839430
  O     12.20418116      5.56652396     -9.73285147
  H     10.64015192      5.55711495    -14.64039602
  H     15.71302563     10.36547474    -13.62644916
  O     17.03882501      3.91843207    -10.68318058
  H      9.93134544      5.64419492    -16.01280628
  H     16.70308387      6.39532327    -13.53121005
  O     15.79430886     10.41087278    -14.59623021
  H     13.97641182      8.75634281    -16.66614887
  H     16.63072941      6.45854523    -12.00028536
  O     16.74020756      5.84239295    -12.73911787
  H     14.25430573      9.90964857    -15.68153878
  H     16.17713117      8.60864646    -14.74794795
  O     16.11518028      7.64500485    -14.78359603
  H     11.15136886      7.71006677    -15.11939826
  H     15.79837339      7.42118314    -15.66871950
          69
 Energy    -248.60476049200349     
  O     14.23330229      9.36156622    -10.56305397
  H     13.92253759      9.96611983    -11.25030815
  H     18.43690472      5.04936879    -10.84891917
  O     13.98263661     10.12226022    -16.37747652
  H     14.89972632      9.80850104    -10.02696783
  H     13.14116305      8.01069070    -10.05714560
  O     16.19478532     11.16588909    -13.52518560
  H     13.95495558     11.01661324    -16.01420986
  H     12.30399864      6.91482502    -10.74209724
  O     13.48003596      4.57380008    -12.97954072
  H     13.36352734      9.60653808    -15.84846222
  H     19.41612634      7.81306489    -15.55708781
  O     16.85260871      7.66187711     -8.51017365
  H     16.82467838     11.14082068    -12.79050104
  H     17.98893438      8.34660372    -15.31856660
  O     15.70864966      7.42449644    -11.96196305
  H     15.35110975     10.84423118    -13.18032734
  H     15.07872868     12.27395464    -14.48793284
  O     13.48350728     10.71412246    -12.83632361
  H     14.08989644      4.56409114    -12.22668162
  H     14.35145194     13.51864976    -15.04182777
  O     18.35963081      8.12536898    -12.18337565
  H     14.02690897      4.43336015    -13.75954121
  H     13.52203142      8.01969993    -14.45060415
  O     17.84102400     10.77461034    -11.40040869
  H     16.12902126      7.02605487     -8.45741855
  H     12.19206836      7.89310759    -13.69634884
  O     17.90497683      5.05059652    -14.03210398
  H     17.59329920      7.22185184     -8.94408106
  H     10.78496486      6.11439699    -12.54956915
  O     15.29993618      4.62933107    -15.20352620
  H     15.56535591      6.54152373    -11.59436054
  H     12.28755553      5.79518765    -12.71813336
  O     17.95229312      4.36703521    -11.32616514
  H     15.18849730      8.05623070    -11.45051452
  H     13.86817096      6.32282225     -8.91723829
  O     12.70473069      7.16038547     -9.90109500
  H     13.42661216     11.47129624    -13.42785370
  H     14.22931760      5.47816854     -7.67075656
  O     18.66446403      7.74159764    -14.97290396
  H     13.14785304      9.94752752    -13.32703041
  H     16.24326971      4.57006929    -11.02385179
  O     14.24787270     12.58330931    -14.88662756
  H     17.42719186      7.86874556    -12.09721221
  H     15.12730470      5.04880237    -10.02320271
  O     12.69456277      8.48891859    -14.26610382
  H     18.59512633      8.00471174    -13.10991791
  H     18.93701162      7.20054250    -10.78116891
  O     11.65309676      6.50940312    -12.52302802
  H     17.40009343     10.68258426    -10.54711592
  H     19.99775066      6.77225599     -9.74067044
  O     14.60313214      5.89011998     -8.44504616
  H     18.14958910      9.88892366    -11.63631905
  H     15.66151159      7.98854306    -15.02696868
  O     15.32075655      4.86068339    -10.94833096
  H     17.07416963      4.78449912    -14.44444651
  H     15.34683570      7.28671047    -13.67307015
  O     19.08463269      6.65366347     -9.99085151
  H     18.12752729      5.90798854    -14.40882162
  H     16.57670978      9.33734866     -8.78556240
  O     15.14774175      7.27979120    -14.62266342
  H     15.10966305      4.43502291    -16.11799459
  H     16.40674139     10.75608325     -8.18936190
  O     16.37555599     10.26581887     -9.00631597
  H     15.20674248      5.59255983    -15.09534772
  H     15.75819487      9.64395884    -16.12898037
  O     16.57634360      9.43801192    -15.65371311
  H     18.03210050      4.57314809    -12.27019155
  H     16.59042467     10.04599597    -14.89908999
          69
 Energy    -248.60460494355340     
  O     18.87694311     10.23583903    -14.81754699
  H     19.47662862      9.50614304    -14.60235260
  H     20.62119098      7.33651215    -14.69939338
  O     21.76854897      8.10512488    -11.66679767
  H     18.77676323     10.73965321    -14.00314061
  H     19.47661710      3.72344589    -13.66281166
  O     15.07040992      8.16933431    -10.16950897
  H     21.06347393      8.58387680    -11.19498959
  H     20.57438094      4.57621145    -12.97747799
  O     13.13850238      9.03390634    -11.94996602
  H     22.59502134      8.49128919    -11.38961281
  H     15.47359422      9.05046890    -15.13422782
  O     16.95906966      9.08957455    -16.34842081
  H     14.33461889      8.60235733    -10.62891264
  H     15.51589206      9.18924367    -13.60786970
  O     11.95114341      6.48351023    -12.49032335
  H     14.98546722      7.23163036    -10.39041788
  H     18.82111475      7.29446725    -13.36039000
  O     18.43429214      6.00451775    -10.39154562
  H     12.59234053      8.24601342    -12.07462927
  H     17.56278375      6.37224848    -13.51193975
  O     14.49402640      5.61656556    -11.20378440
  H     13.53419684      9.21134091    -12.81029795
  H     15.08014887      5.82887511    -14.23041897
  O     20.98147525      5.36178186    -11.40420059
  H     16.89833363      9.56766659    -17.17229065
  H     14.50053445      7.26483348    -14.09711922
  O     16.75340959      3.88464177    -11.04297780
  H     17.63395699      9.54537109    -15.81391830
  H     17.50008437      8.41320015     -7.98609367
  O     17.78417791      2.90497990    -13.34813753
  H     12.69111342      6.35250328    -13.10815473
  H     16.65303048      8.30785667     -9.27018563
  O     20.34873728      8.01996859    -14.07311377
  H     11.16984347      6.17037174    -12.93912346
  H     20.55566592      5.26740390    -15.15577900
  O     20.27035351      4.24081176    -13.83412896
  H     18.19868715      6.71046611     -9.78137104
  H     21.38907572      5.59166733    -16.42122571
  O     14.91446813      9.01876509    -14.34818411
  H     18.29862052      6.35799745    -11.28531964
  H     19.36662028     10.17553569    -11.03084251
  O     17.99845321      7.01418636    -12.93808852
  H     14.63423193      5.86941697    -12.12967705
  H     19.01470855      9.12113716     -9.95898332
  O     14.32769047      6.33559222    -13.89274735
  H     13.53760574      5.59484995    -11.11709331
  H     17.96276912     12.14096049    -11.98496093
  O     17.56272454      8.30124871     -8.93223901
  H     21.36914879      6.24313896    -11.45571280
  H     17.67996135     10.63227635    -12.18855402
  O     20.70489408      5.93423094    -15.85352571
  H     20.16060093      5.47766096    -10.90755523
  H     17.10895757      5.46145767    -15.38435156
  O     19.74113580      9.47257882    -10.48540624
  H     17.38809836      4.52219941    -10.68683436
  H     17.04403458      4.31200349    -14.30138999
  O     18.38060886     11.30970242    -12.19561341
  H     15.90552072      4.34411362    -11.03773547
  H     17.70557303      7.30663855    -16.54604501
  O     16.66146284      5.15123848    -14.58172283
  H     17.41716965      3.19418555    -12.49312912
  H     18.91865822      6.32934052    -16.45065004
  O     17.96760594      6.37985373    -16.60567606
  H     17.66989779      1.95956320    -13.39043613
  H     17.15856376      8.47764540    -12.49251429
  O     16.63699363      9.24329389    -12.20353597
  H     20.95429945      8.01941107    -13.32098455
  H     16.08615545      8.94197939    -11.47182379
          69
 Energy    -248.60426938618494     
  O     14.85020011      5.56891616    -16.64001382
  H     15.31996487      6.40487179    -16.52114012
  H     16.34875859      4.36625239    -13.59834562
  O     17.59200181      4.93112344    -10.24231508
  H     13.92265091      5.76132671    -16.45350216
  H     18.72541015     10.51813083    -14.29994930
  O     16.43623790     11.47370906    -10.15163995
  H     17.40785638      4.80098834    -11.18227934
  H     17.44705513     11.31815153    -14.00830276
  O     19.62611132      9.19737292    -13.26743126
  H     17.78898314      5.87294416    -10.13804186
  H     17.12754043     10.85460609    -16.09869606
  O     15.46938227      3.51696413    -14.98661555
  H     16.24212712     11.52259922    -11.10469087
  H     16.73892197     11.12515984    -17.57290082
  O     14.36453498      9.45673494     -9.62903413
  H     16.34925996     12.36179316     -9.81342073
  H     16.71177525      7.99636543    -12.88601191
  O     15.30354912      4.82894814     -8.83269129
  H     20.57838537      9.13721940    -13.27597698
  H     15.35350873      8.28072954    -12.14290042
  O     13.57073054      8.05609455    -11.86995541
  H     19.38058353      9.51774776    -12.38179736
  H     11.35614381      5.93642865    -15.89899318
  O     18.92275176     10.02463068    -10.74340412
  H     15.30980257      4.22906832    -15.63270924
  H     12.43638574      5.48068380    -14.88852293
  O     15.55566815      7.46208974     -7.93979720
  H     15.70313282      2.73913730    -15.48550322
  H     14.50985442      5.18308898    -10.54215816
  O     15.92685624      8.05834056    -15.89314361
  H     14.71098952      8.82819620     -8.98454966
  H     15.15171078      5.31618430    -11.94532549
  O     16.68471924      4.94073749    -12.89912240
  H     15.04891673     10.12577844     -9.74944549
  H     17.13009429      8.02160025    -10.66451753
  O     18.10669361     11.14314239    -14.69405971
  H     16.16394121      4.77929422     -9.29114271
  H     17.00962217      7.73727986     -9.14604028
  O     16.48055430     10.63902674    -16.79512475
  H     15.15927681      3.98310499     -8.41728396
  H     15.33347586     11.27789007    -13.48497233
  O     16.28923916      8.51456877    -12.19101682
  H     13.70087672      8.58186335    -11.06593594
  H     16.14640448     10.25492233    -12.63398585
  O     12.23917656      6.12412865    -15.59274891
  H     13.70148160      7.12270508    -11.65091990
  H     12.95796650      7.72609627    -14.97181610
  O     14.32171769      5.42134926    -11.45590693
  H     18.19726528     10.62373614    -10.53471495
  H     13.41956377      8.35965276    -13.63229458
  O     17.62550186      7.71679446     -9.88732180
  H     18.67899895      9.19347822    -10.31189511
  H     13.79740751      3.89694645    -14.11217658
  O     16.02295491     11.20059095    -12.81012590
  H     15.60904450      7.48055861     -6.98686683
  H     13.32413899      4.65530678    -12.85911328
  O     13.48043902      8.44436983    -14.59494212
  H     15.38830267      6.54020460     -8.19127369
  H     14.91449554     11.05201437    -15.67793163
  O     13.02679757      4.32265514    -13.71557261
  H     16.13974272      8.89481018    -16.32533828
  H     13.85833540     10.26497323    -14.87643001
  O     14.29184127     11.12662488    -14.94500362
  H     15.10817004      8.20246513    -15.39551900
  H     18.49090243      7.82137884    -13.90114409
  O     17.80309060      7.16987133    -14.08806927
  H     17.15754301      5.66481898    -13.33352962
  H     17.25286621      7.49434240    -14.81738603
          69
 Energy    -248.60425553461795     
  O     11.91184120     11.15571104    -10.55296741
  H     11.20289839     11.10226965    -11.20649485
  H     14.84119243      6.87676086    -16.78603467
  O     12.98167475      8.33934610    -15.00005665
  H     12.69835629     11.43165858    -11.04041614
  H     16.54125348     13.47875657    -14.03230395
  O     18.22847391      9.28228902    -12.10170312
  H     13.16297222      7.95559286    -15.86821260
  H     16.67764432     11.94699412    -14.20038069
  O     17.59988991      8.79238963    -16.61425965
  H     13.85030505      8.56232872    -14.62837485
  H     16.13720677      9.36098439    -14.32799421
  O     12.18788482     10.86310562    -14.33050893
  H     18.41277231      8.33964966    -12.02386829
  H     15.49960063      8.82264060    -13.03965429
  O     15.91990550      5.73802345    -11.49905647
  H     17.36827332      9.41084089    -11.67632913
  H     11.87110639      9.65300556     -9.66654664
  O     12.46571603      6.58356032    -12.95441850
  H     17.28798552      7.91826439    -16.36727089
  H     11.50274681      8.87294185     -8.38112980
  O     15.53763674      9.45728803    -11.32186798
  H     16.87754751      9.18753765    -17.12393155
  H     18.70595298      6.13276266    -13.65965530
  O     15.31458216      9.86922293    -17.87001527
  H     12.35311310      9.95099763    -14.61521552
  H     19.46562377      6.44910765    -14.96018811
  O     14.49573850      4.75621444    -13.79571760
  H     11.36206973     10.84851778    -13.83238003
  H     10.75284176      8.15767123    -10.80204583
  O     17.64102493     10.52515380    -14.46979417
  H     15.45993428      5.29605060    -12.22191406
  H     10.96395146      7.41243965    -12.13658067
  O     14.14192218      7.32646459    -17.27634748
  H     15.25191994      6.26443902    -11.04164016
  H     17.01642173      6.14344359    -15.14426055
  O     16.03938842     12.66832661    -14.05659867
  H     13.01626517      5.83264402    -13.20338874
  H     15.90622735      7.19698947    -14.83891643
  O     15.49758907      8.71855858    -13.99922605
  H     12.53870367      7.21151530    -13.68918155
  H     19.01699822      6.06786996    -11.15123995
  O     11.78706721      8.76079537     -9.28391096
  H     15.00263417     10.22063318    -11.58150299
  H     17.57821517      6.18513672    -11.70423204
  O     18.69576041      5.99774203    -14.61973736
  H     14.94085290      8.78251181    -10.97227414
  H     14.88147376     12.08421657    -15.45820206
  O     10.37435358      8.02594765    -11.68033311
  H     15.25511188     10.28057236    -18.72871462
  H     13.47497579     11.47004759    -15.57960121
  O     16.11031666      6.40701785    -15.36527512
  H     14.93096179     10.49919971    -17.23479464
  H     13.32913141      7.14376994    -11.43779202
  O     18.50631406      6.43047675    -11.87064588
  H     14.43626508      3.87249211    -14.15149453
  H     13.16352755      7.79410721    -10.04197789
  O     14.29102808     11.62941088    -16.07032088
  H     15.02945362      5.27155021    -14.42116971
  H     14.74091757     12.06273959    -12.82485237
  O     13.81159914      7.39828867    -10.63779807
  H     17.83139435      9.97114478    -15.23901271
  H     13.41185477     11.30812777    -13.03567324
  O     14.04999514     11.57686827    -12.35854407
  H     17.98537234     10.09349036    -13.67150192
  H      9.06191506     10.74807708    -12.67225504
  O      9.99332238     10.55755603    -12.60086010
  H     14.52406503      8.16188120    -17.57747226
  H     10.06974064      9.62453104    -12.33162388
          69
 Energy    -248.60421880860702     
  O     11.81032415     11.92200602    -12.41690295
  H     12.42248352     11.81342495    -11.67694152
  H     19.20976031      7.14433560    -15.68345362
  O     20.20108640      7.56892018    -12.20482635
  H     11.56171639     11.02560649    -12.67417964
  H     18.00649707     14.43674452    -15.66396136
  O     17.37219691     11.01229499    -11.78942064
  H     20.42258729      8.22933457    -12.88661721
  H     17.06427980     13.21314347    -15.74777859
  O     13.12274986      8.59570542    -10.97306609
  H     21.01854609      7.33338066    -11.77455717
  H     13.52908383      9.01995423    -15.48276686
  O     16.27106558      6.76003776    -13.12848587
  H     17.13412876     11.72653475    -11.18735705
  H     12.21455728      9.36693834    -14.75331539
  O     15.38521661      6.97314540    -10.35390709
  H     16.60112174     10.89541370    -12.37041079
  H     15.03307355      9.95030326    -13.84069391
  O     18.78769775      6.17118828    -14.28731943
  H     13.39449003      9.47607048    -10.67881223
  H     14.67286042     11.46303842    -13.66831518
  O     13.66408395     12.93910270    -14.16284486
  H     13.85026615      8.00407317    -10.75110827
  H     12.72633427     12.03284035    -17.45020584
  O     17.49224749      9.73912492    -15.99128483
  H     15.68858650      6.41696473    -12.44605719
  H     13.04414394     10.98518316    -16.35659885
  O     17.66314186      8.31931903    -11.28926542
  H     16.82124098      7.40249871    -12.65296160
  H     20.40764701      8.85420346    -15.03962350
  O     16.16083125     12.12144231    -16.75195844
  H     15.53697333      6.48706440     -9.54679729
  H     20.14527093     10.11740921    -14.19121296
  O     19.47355258      7.78979121    -16.36349606
  H     16.20135024      7.46795102    -10.53157713
  H     16.51819041     14.07097144    -13.63635735
  O     17.63736008     13.72487103    -15.14782446
  H     19.31220737      6.48988542    -13.54200599
  H     15.02139363     13.85601932    -13.36286483
  O     12.68725329      9.48637498    -15.58585394
  H     17.87001616      6.18539448    -13.98801829
  H     16.02832992     13.56458979    -11.32525386
  O     15.10833548     10.70841566    -13.25076727
  H     13.46442969     12.69991665    -15.07512693
  H     16.31271847     13.85550250     -9.83261117
  O     13.31821313     11.84386238    -16.72735393
  H     12.91177742     12.67441717    -13.61099344
  H     14.33752203     10.95763271    -11.61721184
  O     20.66642465      9.30323096    -14.22580710
  H     17.92042905     10.28442389    -15.31616965
  H     14.63655927     11.90454753    -10.44686030
  O     15.84812701     14.14046495    -12.94702361
  H     18.14234776      9.07965134    -16.26266828
  H     18.53462791     12.24873437    -14.46043627
  O     16.13660089     13.15014890    -10.44847986
  H     17.59737452      9.28006188    -11.38169046
  H     18.40363641     11.29260599    -13.24731425
  O     14.01012032     11.23761941    -10.74700298
  H     18.57420590      8.06937027    -11.48962012
  H     10.62370909      8.67858668    -12.89822638
  O     18.80914552     11.38792358    -14.12061658
  H     15.20533322     12.00483968    -16.80813286
  H     12.04564156      8.87466306    -12.33144426
  O     11.44471953      9.14049715    -13.04950337
  H     16.54931227     11.24172231    -16.66210444
  H     16.00210572      8.90614702    -15.41859695
  O     15.21310597      8.52857655    -15.00397254
  H     19.83116418      7.29205402    -17.09354540
  H     15.50842585      7.82090427    -14.41786738
          69
 Energy    -248.60392901826160     
  O     -0.13290561      2.40279511     -1.82666920
  H      0.49676455      1.70566285     -1.58850441
  H     -2.61827401      0.21154431      3.71850170
  O      1.21551536      4.68895829     -0.61114592
  H      0.25151903      3.22077595     -1.49636578
  H      0.83962857     -0.02318616      4.41978242
  O      3.79755002      2.53103027      2.49424242
  H      2.12541572      4.42385495     -0.40702160
  H     -0.35025528     -0.29484117      3.43716680
  O      1.27735459      1.58118624      1.77834230
  H      1.26801444      5.55468422     -1.01052959
  H      3.95252683     -0.60013086      1.80984442
  O     -2.43613267      1.13203058     -1.17986216
  H      4.21537208      1.68183008      2.29199334
  H      5.47901312     -0.51466702      2.03007303
  O     -2.66123805      2.32834754      1.34338092
  H      3.89469297      3.09464513      1.71753756
  H      3.14984091      3.02791155      4.17997487
  O      1.57469195      0.50587445     -0.77361890
  H      2.12718644      1.93038155      2.07594895
  H      2.28619054      2.41552178      5.30740312
  O     -1.57379520     -1.10766889      0.40580114
  H      1.02442823      0.88082544      2.39389642
  H     -3.54669013      3.04724683      2.84463395
  O      3.86250045      3.89378033     -0.04646445
  H     -1.63694544      1.61713790     -1.45294954
  H     -2.93809072      3.85855257      3.99985014
  O      0.82863597     -2.14533988     -0.25200928
  H     -3.01331251      1.10330804     -1.93816562
  H      1.48132539      0.57301479      6.80244334
  O     -1.13664118      4.40091667      4.21729049
  H     -2.71917995      1.96310153      0.45284719
  H      0.43321534      1.36251718      5.97707458
  O     -2.07119423      0.09381626      2.93291473
  H     -1.87946816      2.89970135      1.36044407
  H     -4.37843770      0.81713381      5.62441038
  O      0.60084534     -0.41257412      3.56799370
  H      1.44755805      0.86089277      0.12006036
  H     -3.73576240      1.85944755      4.67750625
  O      4.72582582     -0.01291990      1.73007388
  H      1.36092740     -0.43337943     -0.72924815
  H     -1.91930107      1.70119133      5.75413356
  O      2.69055530      3.23637275      5.00254217
  H     -1.88965201     -0.39906977     -0.16825165
  H     -1.07620387      2.92616763      5.33427349
  O     -3.71381089      3.33619794      3.75217371
  H     -1.80476364     -0.85091697      1.30700501
  H      3.32383009      0.99096633     -0.92365256
  O      1.29405896      0.90403808      5.92828243
  H      4.01593926      2.99050954     -0.38061259
  H      4.52929423      0.80327213      0.00831952
  O     -3.58474481      1.01085012      5.13417486
  H      4.63387658      4.40572352     -0.27753873
  H      0.10253113      4.26144390      0.88056972
  O     -1.06899707      2.13357770      5.88837543
  H     -0.05648477     -1.83224729      0.01067857
  H      0.20925696      2.97486304      1.71539724
  O      4.21780026      1.31842826     -0.74593841
  H      0.69926413     -2.94675582     -0.75131185
  H      2.03584987     -1.90087183      1.20184476
  O     -0.32272077      3.77745387      1.59558316
  H     -0.83744025      4.25117864      3.31073557
  H      1.89615067     -1.31622851      2.61539787
  O      2.54877746     -1.61473274      1.96684460
  H     -0.42147118      4.88243954      4.65805875
  H      1.43387766      5.90987975      6.14219597
  O      1.12247354      5.45702346      5.36328249
  H     -2.22738147      0.88120078      2.39107952
  H      1.71890480      4.69873572      5.23925515
          69
 Energy    -248.60385604708603     
  O     13.77346129      2.84748277    -10.89360516
  H     13.84078517      1.90465912    -10.69790661
  H     15.30408310     10.40308576    -10.72723947
  O     12.23958500      3.10191333    -13.22211057
  H     13.24911112      2.91548849    -11.70534150
  H     14.26931149      7.04918671    -12.64321122
  O     16.46442149      3.15016153    -11.71285289
  H     11.57708229      3.73509026    -12.92126368
  H     13.97503994      5.91235941    -11.63180824
  O     18.85481910      6.91087832    -12.89718554
  H     12.86069592      3.59706106    -13.77753919
  H     11.99793606      5.40065919    -10.89033240
  O     11.46476575      7.05226373    -14.08300200
  H     16.81087740      4.01058686    -11.44416078
  H     13.13059713      4.50907438    -10.31275288
  O     13.32868321      0.52642455    -13.58634393
  H     15.54691134      3.11122751    -11.41037407
  H     15.81595911     -0.15701983    -15.45016418
  O     14.15284387      0.05551373    -10.86340603
  H     18.30004354      6.47692138    -12.22460752
  H     14.87502840      0.51244636    -14.42145870
  O     16.94678687      9.02289834    -13.06801656
  H     19.75912733      6.82911040    -12.60742525
  H      9.74172899      5.33806325    -12.09337682
  O     14.14096830      4.58529502    -14.54384113
  H     11.85113891      6.83820689    -14.93943136
  H     10.92478901      5.90692133    -12.91226846
  O     15.35339331      7.93546838    -15.22148277
  H     12.05211309      7.72476984    -13.70882443
  H     16.23686988      6.00658180    -11.60387277
  O     17.26095974      5.95323611    -15.05820689
  H     13.47435086      0.26203339    -12.66963931
  H     17.01960132      6.00751122    -10.24442265
  O     15.12510055      9.54883978    -11.11271513
  H     12.81569414      1.34413231    -13.54757272
  H     16.56470755      3.22675661    -13.53108260
  O     14.57640400      6.18755257    -12.33698255
  H     15.06516821      0.08028755    -11.20463600
  H     16.36700892      2.29978178    -14.74815925
  O     12.80295480      5.41881421    -10.35607541
  H     14.09997704     -0.68749032    -10.26893514
  H     16.74375643      1.31152169    -11.82887236
  O     15.78284587      0.51476935    -14.77440586
  H     16.49665244      8.79782893    -13.89128662
  H     16.47747484      0.30492217    -12.96105390
  O     10.67979232      5.24702816    -12.23800786
  H     17.68847519      8.40975209    -12.99887978
  H     13.51803590      5.70127057    -15.77195029
  O     17.08343588      5.78974927    -11.18599181
  H     14.31443760      5.17608568    -13.79486230
  H     13.04175797      6.06945858    -17.19687222
  O     16.52861133      3.21821705    -14.49949797
  H     14.94293350      4.06096270    -14.66477258
  H     14.47834153      8.20328500     -9.85425158
  O     16.59958376      0.37077857    -12.00623522
  H     16.01753729      7.22689235    -15.19613719
  H     13.67597987      6.91439974     -9.50221857
  O     13.16330477      6.42350634    -16.31956225
  H     14.63031040      7.58848433    -15.75616865
  H     15.83128888      6.86307529     -8.67296625
  O     14.28687842      7.57289529     -9.14891115
  H     17.13234656      5.00326757    -14.95537102
  H     16.78503243      6.22779638     -7.64420201
  O     16.70051252      6.43876945     -8.56954797
  H     17.92111023      6.21294507    -14.40363318
  H     13.97223397      9.13621900    -12.50283559
  O     13.54088226      8.66659185    -13.22782748
  H     15.85142794      9.36846306    -11.73615454
  H     14.18083738      8.58307967    -13.95063087
          69
 Ord_Energy   -248.603790    
 O    2.70891547       8.53944969       2.93517566    
 H    2.83902931       8.66088581       1.98650384    
 H    3.37980390       7.90293932       3.21023273    
 O    2.01176357       1.65357399       3.70510840    
 H    2.40685463       2.53406310       3.72632861    
 H    1.48159015       1.56034458       4.50523376    
 O    4.71286774       6.49311972       3.36341929    
 H    4.73151731       6.37793875       2.39588618    
 H    5.61393785       6.63582754       3.64076567    
 O   0.751680493      0.398355812       1.66276538    
 H    1.29038918     -0.313186795       1.32766032    
 H    1.27087581      0.840343416       2.36031461    
 O   -4.49873507E-02   2.88167834      0.639207721    
 H  -0.456093371       3.19352412       1.46023428    
 H   0.196161464       1.96275771      0.804670811    
 O   -1.33956265       5.24003410     -0.374305815    
 H  -0.975967348       4.35687256     -0.230932429    
 H   -2.10085249       5.32357788      0.214748949    
 O   -1.29472995       3.86893892       2.90857053    
 H   -1.83204198       3.25917482       3.42827868    
 H   -1.89952147       4.50329971       2.50031686    
 O    4.46024895       6.18344212      0.670207560    
 H    4.04057693       6.98853540      0.340302765    
 H    3.78527522       5.49456549      0.601176202    
 O   0.260716558      0.986514628       5.88233900    
 H   0.634737313      0.434258282       6.56583643    
 H  -0.438030869       1.50982869       6.30399942    
 O   -3.50388813       6.16578865       5.25538301    
 H   -4.02758884       5.53229666       4.75195551    
 H   -3.21542048       6.83432531       4.62240744    
 O   0.594412982       6.94712591      0.529132783    
 H   0.348729044       7.15547991       1.44010282    
 H  -0.119530320       6.42879868      0.129199445    
 O   -1.87691939       2.41442704       6.95801640    
 H   -1.67446029       3.36655331       6.88065863    
 H   -2.33774948       2.29567480       7.78363943    
 O   -1.37797940       4.98820019       6.58967876    
 H   -2.13608289       5.45176888       6.20482922    
 H  -0.634464324       5.13587666       5.99050474    
 O   -4.80208492       4.16355991       3.59112120    
 H   -4.25060463       3.40773916       3.85470510    
 H   -5.70604849       3.85905337       3.60012770    
 O    2.12011695       4.61124611      0.885283172    
 H    1.63785863       5.44234419      0.776115537    
 H    1.47877276       3.91227818      0.704408109    
 O   -2.55478311       7.91935253       3.17787695    
 H   -1.58357966       7.88908815       3.22234917    
 H   -2.79629087       8.83687878       3.08010197    
 O   -1.34522069      0.212930754       3.61322141    
 H  -0.753130972      0.201969177       2.85192227    
 H  -0.771776438      0.330930740       4.38128281    
 O    2.90815830       4.32430744       3.52507710    
 H    3.59072852       4.99517870       3.64139175    
 H    2.62878680       4.38651037       2.59803653    
 O    2.82857871       8.43932343       5.59679307E-02
 H    1.99085772       7.94642258      0.110838212    
 H    2.73524117       9.05945206     -0.662149072    
 O   0.147875875       7.60490990       3.22872996    
 H    1.00749159       8.05054855       3.21219945    
 H   0.262938738       6.79458857       3.74578571    
 O   -3.18459415       5.57657528       1.75394976    
 H   -3.03591609       6.43664646       2.17033195    
 H   -3.87126040       5.12732220       2.26355720    
 O   0.478639424       5.19820595       4.52303600    
 H    1.37160254       4.90462780       4.30329752    
 H  -0.127464846       4.68891573       3.96309137    
 O   -3.03468585       2.20440364       4.37692213    
 H   -2.75119543       2.28742671       5.29603386    
 H   -2.58728361       1.42193556       4.01812172    
          69
 Energy    -248.60369482664785     
  O     13.74664823      9.40456111    -10.20516860
  H     13.27876303      9.74244980     -9.44590888
  H     13.75624859      6.75629946    -17.14306883
  O     16.25686173      5.07571920    -12.98898435
  H     14.17866957     10.16814818    -10.62770851
  H     17.87222088      5.93624931    -16.06915065
  O     14.73640806     11.49634132    -11.64127093
  H     17.08944851      4.96662169    -12.51295854
  H     19.09567575      6.41596752    -16.89011481
  O     17.15950167     11.42978681    -13.20817394
  H     16.12115614      6.02972428    -13.10465012
  H     16.11533752     11.14709175    -14.79146665
  O     11.03116739      7.98795196    -15.99530764
  H     15.60565992     11.53000310    -12.05632461
  H     15.80132555      9.99119048    -15.76834905
  O     17.72527312      7.24280365    -10.11270468
  H     14.10495698     11.56640530    -12.37036756
  H     14.88340686      8.08360703    -13.20125160
  O     12.56848543      6.39639938    -14.18789765
  H     17.85891668     12.07234600    -13.11654710
  H     15.90296559      7.96100602    -14.37738856
  O     13.19226500     11.19164770    -13.98100264
  H     17.49302235     10.59974355    -12.82478915
  H     14.53174024      7.67950615    -10.10146039
  O     13.43041380     10.41968791    -17.46972188
  H     11.51703703      7.85019988    -16.81833532
  H     14.42876275      6.25831040    -10.70408234
  O     16.56314606      4.83065075    -15.77454939
  H     11.38901371      7.35048078    -15.36534332
  H     19.10504433      5.75533863    -12.39849946
  O     16.22583035      8.29452463    -16.12969977
  H     18.11624879      6.45520429    -10.50659663
  H     19.50018935      4.51558007    -11.56056606
  O     14.26634055      6.35150210    -16.42991143
  H     16.77594412      7.06064169    -10.04639219
  H     13.50486118      4.05106747    -11.62759369
  O     18.50264149      6.67056960    -16.18811885
  H     12.69971430      7.24287071    -13.73154176
  H     14.61568571      4.82260598    -12.37282762
  O     15.50590889     10.87045708    -15.48726987
  H     12.81377230      5.73180020    -13.53398651
  H     17.08661162      8.58620777    -12.63599653
  O     15.75979662      7.76092119    -13.44367674
  H     13.97285909     11.11198851    -14.54992568
  H     17.91858124      8.54633987    -11.34913129
  O     14.95420542      6.81156603    -10.11862039
  H     12.41467514     11.14560459    -14.55078172
  H     19.17767840      6.97971176    -14.43192091
  O     18.77079144      5.09372040    -11.76565845
  H     14.18291595     10.69974566    -16.93662921
  H     19.02861465      7.82838967    -13.13972131
  O     13.69952795      4.88374536    -12.05146076
  H     12.64072427     10.65847740    -16.96713102
  H     13.09598340      8.79001555    -18.03466540
  O     17.84842458      9.00075036    -12.20148817
  H     15.73246363      5.20277509    -16.09904519
  H     12.64255711      7.85852795    -19.18466418
  O     19.46295622      7.05053393    -13.51347176
  H     16.46278617      4.75550421    -14.81577283
  H     10.26114659     11.06913433    -15.94998064
  O     12.80483607      7.88485546    -18.24563781
  H     15.53936204      7.64030128    -16.32622814
  H     11.02262499      9.73049748    -15.79726214
  O     11.12522584     10.69899364    -15.79145408
  H     17.07944202      7.85558697    -16.23694022
  H     13.23726821      8.83924660    -11.88271655
  O     13.18447033      8.67745396    -12.83283003
  H     13.69461786      6.32531235    -15.64963669
  H     13.13891965      9.54319668    -13.26045434
          69
 Energy    -248.60331636441265     
  O     10.77141257      9.19644630    -12.37987525
  H      9.97909206      9.70505798    -12.22343132
  H     15.80553228      6.11510177    -16.18921481
  O     14.73113325      6.74603156    -14.94593351
  H     11.32482589      9.72578992    -12.97620013
  H     18.84145527      7.77839561    -15.74740468
  O     16.46878203     11.34575909    -10.68043074
  H     14.25534863      6.35133278    -14.20339942
  H     18.04317631      6.47287400    -15.91278877
  O     18.75271924      9.52279095    -16.63387510
  H     15.25251143      7.47093077    -14.56846183
  H     14.72615870     12.73513951    -15.74362872
  O     12.51196543      8.17713569    -15.78979158
  H     15.67270901     11.01961093    -11.12260297
  H     15.56481815     11.54907793    -15.22539655
  O     15.36412572      7.25263674     -9.65239099
  H     16.70724739     10.66382085    -10.03917272
  H     16.85908662      8.07295264    -13.29619042
  O     13.51076217      5.90805864    -12.59729619
  H     18.00496577      9.19921092    -17.17252491
  H     16.59367955      9.39135348    -14.10740604
  O     14.44356576     10.05394231    -12.08765659
  H     19.46040054      9.72821243    -17.23860233
  H     18.96245232      9.74951085    -11.75946356
  O     16.65182336      8.52975806    -17.94851853
  H     11.83553723      7.67258397    -15.31741334
  H     18.48943539      8.95145745    -10.53029967
  O     16.08000888      5.25546911    -11.57233592
  H     13.33565150      7.69591177    -15.62393521
  H     10.81077686      7.49410348    -13.33801307
  O     17.21978503     10.94874482    -14.82411139
  H     14.45776153      7.48234188     -9.89089041
  H     11.75269373      6.28389584    -13.48072767
  O     16.48069953      5.89710829    -16.85470133
  H     15.62016226      6.52852794    -10.23633339
  H     17.76635328     11.54875439    -11.80034803
  O     18.71976861      6.89925911    -15.37151756
  H     13.29814428      6.64707787    -12.00940909
  H     19.09777585     12.24455483    -12.17588456
  O     14.66490993     11.82379271    -15.46586233
  H     14.33581619      5.53761540    -12.25795713
  H     18.38131028      6.74333768    -13.63437989
  O     16.17293144      8.65541083    -13.64645793
  H     15.09216104      9.51268466    -12.56477252
  H     18.50689369      7.44691555    -12.22715864
  O     19.02169868      8.88700900    -11.33441447
  H     13.76828390     10.28274483    -12.73762427
  H     16.56710320      8.45094122     -9.27988772
  O     11.03559580      6.75739603    -13.91960342
  H     15.78352905      8.94646216    -17.84784858
  H     17.46307530      9.06199721     -8.18016735
  O     18.50681555     11.54233686    -12.43495693
  H     16.54460288      7.60003421    -17.71728896
  H     14.33920434     10.49497547    -16.84745260
  O     18.02251037      6.77775581    -12.73462921
  H     16.45092298      4.40795644    -11.33893348
  H     13.50138533      9.22009454    -17.04671612
  O     17.25300443      9.12012295     -9.10850308
  H     16.78958978      5.75743249    -12.00978791
  H     12.07512025      8.36811025    -11.17051457
  O     14.21600908      9.74061513    -17.43445157
  H     17.72786855     11.21369557    -14.04465343
  H     13.54592694      8.78423773    -11.21268047
  O     12.95342158      8.08377551    -10.89601221
  H     17.82291360     10.54041340    -15.46118387
  H     12.54245891      9.64182345    -14.72565439
  O     12.58011534     10.42056217    -14.14879924
  H     16.22616319      5.06475531    -17.24406916
  H     13.19127663     11.03307840    -14.57681307
          69
 Energy    -248.60298422141119     
  O     10.75692217      9.18484280    -14.78820295
  H     10.99095846      9.62567558    -13.96190170
  H     15.95276326      8.05709184    -10.25245792
  O     14.88770555      4.56809416    -13.30721603
  H     10.56770108      8.26311886    -14.57342618
  H     12.65111876      3.36319006    -11.72966107
  O     15.09721737      3.22059510     -9.12067770
  H     14.44344277      4.16115479    -12.55236018
  H     12.96914935      4.53943949    -10.77451372
  O     16.09825805      9.11949825    -13.82124683
  H     15.68566009      5.00261206    -12.97415195
  H     13.61228189      7.23705054    -14.23059628
  O     14.48461760      7.75847164    -15.71036074
  H     15.05710647      2.31988934     -8.80939345
  H     13.76256363      6.00718337    -13.31427830
  O     13.97232570     10.93462516    -14.19947886
  H     14.48806158      3.28255174     -9.87591515
  H     11.54522624     11.45886094    -12.23334746
  O     11.25224979      3.17100025    -12.83028174
  H     16.93471525      8.68808501    -14.04920494
  H     12.64531794     10.78562331    -13.08849426
  O     14.09715401      5.71855397     -8.14236438
  H     15.95929086      8.94006135    -12.88171499
  H     14.40402640      4.65087417    -15.10484545
  O     12.74596208      9.80083757    -16.52788594
  H     13.93151854      8.43748594    -16.11849412
  H     14.21362402      5.84988092    -16.04833732
  O     17.34553853      4.90721978     -9.72764214
  H     15.12517890      8.21334039    -15.14549935
  H     17.23634680      5.53046082    -11.40741051
  O     16.24972254      7.31958837     -8.56615699
  H     13.63765195     10.69025646    -15.07107836
  H     16.47651630      6.78343564    -11.90031627
  O     15.66132343      8.26642220    -11.14936269
  H     14.78783096     10.43140235    -14.07417386
  H     17.92055506      6.84263736    -13.52962748
  O     13.33779296      3.72869016    -11.15255062
  H     10.63747653      3.79937599    -12.43222183
  H     18.71403746      6.90727594    -14.84528911
  O     13.26213500      6.82476342    -13.42937573
  H     11.32310274      3.42025225    -13.75965098
  H     11.10490055      3.64631747    -16.29739214
  O     11.85754497     10.61198352    -12.54069109
  H     14.41190190      4.82344793     -8.32125485
  H     12.31313713      4.42669353    -15.73549774
  O     13.98496747      4.91917812    -15.93553750
  H     13.29856626      5.83236703     -8.67328747
  H     12.47509087      9.17663580    -11.54965206
  O     16.96820418      6.00809055    -12.20561796
  H     11.97469548      9.57584919    -15.97668696
  H     13.02522226      7.81659438    -12.04774274
  O     18.24877321      7.44906189    -14.21307408
  H     12.40973654     10.17284479    -17.33830607
  H     10.70273982      5.69887628    -14.70854121
  O     11.39164025      4.16967569    -15.55373448
  H     16.66298651      4.26094632     -9.50840405
  H     11.55434162      6.59975735    -13.80674687
  O     12.88280691      8.35564026    -11.25044126
  H     17.10833467      5.71241867     -9.25050412
  H      8.83579050      5.49733695    -11.55513128
  O     10.63951645      6.43651180    -14.08825750
  H     15.44523590      6.80772522     -8.36665278
  H      9.98352005      5.84381863    -12.53175210
  O      9.77477466      5.39925347    -11.69286097
  H     16.51835626      7.73878705     -7.75289880
  H     12.30832826      6.87256427    -10.39452429
  O     12.05174743      5.99169655    -10.08425523
  H     14.69981897      8.35790925    -11.10393275
  H     11.20363597      5.79179911    -10.49834561
          69
 Energy    -248.60268052960316     
  O     -7.32565327     -2.78116758      6.46241669
  H     -6.51779777     -2.28582746      6.64216899
  H     -6.62814674      0.32892137      4.70005611
  O     -9.33481034     -2.91669310      2.39934953
  H     -8.03653585     -2.13272120      6.36996152
  H     -4.47541744     -1.25639958      5.96431940
  O     -7.52738966     -4.25453093      4.19950477
  H    -10.01941646     -2.44903643      2.89174770
  H     -4.24568753     -1.53332775      7.47023669
  O     -5.50511775      0.61417707      0.50412561
  H     -8.83622667     -3.43247062      3.04451762
  H     -1.31722356      3.47918717      1.41837634
  O     -6.01755178      1.22898008      6.25127925
  H     -7.46293130     -3.79561264      5.05569399
  H     -2.67884111      3.88418829      2.03601376
  O     -5.92643304      5.20957701      1.01116996
  H     -7.47439839     -5.18893222      4.38099721
  H     -9.19172253      2.62012565      5.41301877
  O     -9.22273684     -0.82622054      5.72886455
  H     -6.30564621      0.95414011      0.93339935
  H     -8.81291913      3.34414498      4.09532553
  O     -3.88168116     -1.18278093      4.34591680
  H     -5.74733517     -0.26487094      0.20601682
  H    -10.35571116      1.73961209      3.51653287
  O     -4.52925922      3.19791425     -0.19083866
  H     -6.88584531      1.37655560      6.64890272
  H     -9.81063702      1.05921530      2.26286521
  O    -11.23956094     -1.35001400      3.87611306
  H     -5.63854508      0.42249127      6.62428738
  H     -6.37704639     -2.15073426      2.07801494
  O     -3.66678901      1.03742834      2.60621437
  H     -6.13783707      5.89740345      0.38565701
  H     -6.37111819     -3.12550819      3.28753053
  O     -7.15179593     -0.14731238      4.04446241
  H     -5.47386264      4.50587059      0.51275953
  H     -7.84369798     -0.63027435      0.93061376
  O     -4.90729801     -1.26292158      6.83892547
  H    -10.01252253     -1.07056745      5.23157146
  H     -8.24292680     -2.07789809      1.24862746
  O     -2.22273080      3.19824601      1.51553110
  H     -8.54665367     -0.60926246      5.06658232
  H     -8.99382511      0.68957630      6.63924368
  O     -9.55187501      2.96720289      4.59054766
  H     -3.66162095     -0.40828053      3.81386279
  H     -9.20478120      1.69624628      7.79607808
  O    -10.55860815      1.04847362      2.86791230
  H     -4.44731596     -1.73018773      3.78268570
  H     -4.18764645      4.33002455      3.54603901
  O     -5.89479775     -2.38901850      2.88227350
  H     -3.66561101      3.18909502      0.24082183
  H     -4.48468014      5.21744351      2.32469007
  O     -7.55947521     -1.54247598      0.81195677
  H     -4.85841817      2.29253978     -0.13514548
  H     -4.59308743      2.17873264      3.70162427
  O     -8.69066970      1.53675203      7.00848644
  H    -11.05988166     -0.47655156      3.48009211
  H     -5.31525191      2.37871945      5.06191146
  O     -3.77480647      4.93658169      2.91500238
  H    -12.18186627     -1.48503295      3.82974053
  H     -7.79508960      2.14336528      2.04745767
  O     -5.06325140      2.82719779      4.24415574
  H     -3.03354060      1.67495874      2.25190546
  H     -7.68759615      0.70773103      2.60097435
  O     -7.88242206      1.21364228      1.79415063
  H     -4.26052899      0.80627548      1.87910556
  H     -7.00127031      4.30907936      2.25513695
  O     -7.34054567      3.68241988      2.90567057
  H     -6.64834151     -0.91461505      3.74336104
  H     -6.57302173      3.38787740      3.41854934
          69
 Energy    -248.60169577489819     
  O     15.19531132      9.51290122    -10.27898172
  H     15.21177997     10.23701144    -10.91911362
  H     16.94211604      4.43021437    -12.18138661
  O     13.86824335     11.68772089    -15.77546131
  H     16.02251803      9.51793866     -9.78194763
  H     13.69354710      8.65098944     -9.74621922
  O     17.56224266     10.23165861    -13.45127816
  H     14.54951463     11.28813164    -16.32955657
  H     12.41109293      8.11195952    -10.40610610
  O     12.33812315      6.15467531    -13.38170137
  H     13.51788490     10.98483378    -15.21250287
  H     18.00980107      7.18820904    -15.15202920
  O     17.12988907      6.46076690     -9.17705060
  H     16.73964748     10.54063264    -13.04966790
  H     19.29565399      6.34139507    -15.27425486
  O     17.43725524     12.32896087    -15.31946051
  H     18.09416611      9.82156331    -12.75491173
  H     14.69008334     14.33485066    -14.13454736
  O     15.36749068      7.32408526    -12.04584931
  H     12.99255343      6.40652915    -14.04120729
  H     14.58767251     12.91800345    -14.75318416
  O     15.12950067     11.20094726    -12.45661108
  H     12.80519370      5.60835500    -12.73125689
  H     13.68161107      8.90400666    -14.23123672
  O     17.88776843      6.23462166    -12.01858000
  H     17.44184638      6.17091688    -10.04100536
  H     12.58147222      9.36351740    -13.24592468
  O     18.85964411      8.89210194    -11.45307598
  H     16.21447043      6.16719240     -9.08544950
  H     16.41467054     11.04667461    -18.08549579
  O     16.06497445      4.82712351    -15.05691902
  H     17.68550154     11.67329397    -14.65261603
  H     16.71196967     11.37961335    -16.60201407
  O     16.22747169      3.84493143    -12.45098659
  H     16.75855541     12.87651194    -14.90580163
  H     10.52834033      8.43147000    -12.07919522
  O     12.98109654      8.00398384     -9.63676813
  H     14.80842003      6.58905057    -11.75726904
  H     11.70493096      7.53906454    -12.54145334
  O     18.46417541      6.40097486    -14.80942237
  H     15.27778315      8.04990683    -11.41694869
  H     13.80926609      6.59149781     -9.04456311
  O     15.09018789     13.46980943    -14.12585587
  H     15.13111115     12.07589985    -12.86300077
  H     14.01243050      5.47813555     -7.98737130
  O     13.25083733      9.68610680    -13.86225116
  H     14.45948936     10.68030857    -12.92414342
  H     14.70524430      4.44432328    -11.76489026
  O     16.22632817     10.77346364    -17.19140500
  H     18.20503212      6.21432666    -12.93061161
  H     14.01622836      5.06141898    -10.50185242
  O     11.48048286      8.37024928    -12.08483838
  H     17.00724709      6.64492234    -12.05381281
  H     14.92180255      7.35255550    -13.73276416
  O     14.34466734      5.80919784     -8.81779417
  H     18.55045012      9.07356501    -10.55730023
  H     15.41091886      7.79277919    -15.13067975
  O     13.95352851      4.97699306    -11.46036136
  H     18.69160360      7.95389529    -11.60052457
  H     17.97166858      9.33808454     -8.05122876
  O     14.66728769      7.37969422    -14.67130284
  H     15.45148569      5.56963228    -15.05619494
  H     17.46244071      8.14876240     -8.90456732
  O     17.60443607      9.11323795     -8.90157680
  H     16.94177199      5.22997491    -15.08882351
  H     16.75609101      9.23517219    -16.27472297
  O     16.99057232      8.61424271    -15.57486187
  H     16.11679431      4.01200528    -13.39939057
  H     17.21042452      9.15245492    -14.79674323
          69
 Energy    -248.60135225375092     
  O     13.18479662      7.65770879    -15.95589959
  H     14.11679649      7.53413280    -15.73893562
  H     11.20316544      4.94321321     -9.73379267
  O     11.08336426      9.55033446    -10.91745144
  H     12.77274997      6.78617518    -15.93363859
  H     13.79288264      7.82626119     -9.85740543
  O     15.83889848      5.16387302    -10.95129310
  H     10.61814215      9.98535061    -10.20666072
  H     12.80297354      7.12768933    -10.80632489
  O     12.85493225      3.44704797    -11.93899101
  H     11.69471493      8.92096293    -10.50312259
  H     14.63864448      3.99419003    -14.39882747
  O     15.64000009      7.90921830    -10.41371457
  H     15.71049055      6.09459014    -10.72066820
  H     13.41575083      3.39370255    -13.68840588
  O     18.47612415      7.62743598    -13.87651714
  H     15.29740258      4.63616166    -10.35315351
  H     11.99708061      6.28498668    -12.83835097
  O     12.84327892     10.67751426    -12.89496080
  H     11.92617986      3.59018534    -11.71501066
  H     13.11166739      5.38535640    -12.28222379
  O     16.15487310      4.80073400    -13.71358369
  H     13.32552394      3.33953309    -11.10401319
  H     11.41859764     10.24345536    -16.07377257
  O     10.22379927      4.27544564    -11.27397769
  H     15.28447042      8.21044987    -11.26605721
  H     12.21036903      9.02605178    -15.54284992
  O     18.39905908      8.08209682    -10.98275824
  H     16.58911835      8.07752284    -10.45649472
  H     17.71912280      5.14779570    -10.88300665
  O     14.06187476      3.63929399     -9.38955793
  H     18.37314287      7.94305998    -12.97149106
  H     18.88436196      5.09501591    -11.88989249
  O     11.84281981      5.16447338     -9.04563056
  H     17.61060046      7.69465115    -14.30128786
  H     13.89219934      7.77277456    -12.80706070
  O     12.85594565      7.62505349     -9.97380854
  H     12.20981463     10.44401690    -12.20549272
  H     13.99764340      9.33630194    -12.85439195
  O     13.74782598      3.65524498    -14.55822939
  H     12.40809429     10.49421546    -13.73880190
  H     18.88612008      5.92802143    -13.88803277
  O     12.85676700      6.30718702    -12.40036378
  H     15.99857404      4.90726556    -12.76443238
  H     19.66915551      4.69227128    -14.39613964
  O     11.62422222      9.75836072    -15.27934989
  H     17.10847398      4.70123147    -13.82352237
  H     10.48278674      8.94585445    -14.04587755
  O     18.65520887      5.36514749    -10.99160980
  H     10.17297517      4.82262797    -12.07690845
  H     10.28619915      8.84785921    -12.51495085
  O     14.51118631      8.51727907    -12.81696532
  H      9.39292085      3.81157196    -11.20745966
  H     15.88988679      6.44272735    -14.55539598
  O     18.97656364      4.96122364    -13.79943651
  H     19.13873090      8.52743038    -10.57725149
  H     15.42523917      7.87143481    -14.17698715
  O     10.00620993      8.46649759    -13.35540132
  H     18.58126375      7.12717272    -10.92559964
  H     11.62310424      4.69716312    -16.61270755
  O     15.82485181      7.34807961    -14.89030196
  H     14.21552885      3.04962915     -8.65655841
  H     12.55751265      4.57770778    -15.38541271
  O     11.86389201      5.12630602    -15.79577663
  H     13.27940119      4.17433973     -9.16598748
  H     10.73951720      5.57320025    -14.38139407
  O     10.33864316      5.80054322    -13.53276554
  H     12.11099072      6.07992405     -9.20091901
  H     10.09846027      6.74143971    -13.53671302
          69
 Energy    -248.60131649041790     
  O     17.89116628      9.05416738    -12.65461001
  H     17.14154422      9.11731766    -12.04273510
  H     13.57662677     10.70646276    -12.61885510
  O     12.18504954      7.14831905     -9.73698895
  H     17.61250308      8.43830392    -13.34246209
  H     12.35663269     10.18489440    -10.68863685
  O     18.69624191     11.69689482    -12.32961137
  H     11.72540735      7.28627150    -10.57587857
  H     11.76333700      9.43753699    -11.90017470
  O     11.12265750      7.72741543    -12.31980483
  H     12.28831431      8.02344105     -9.34261766
  H     17.35027559      4.60073953    -10.99184551
  O     16.87465659      7.09680264    -14.39545925
  H     17.84432645     12.15004500    -12.31875154
  H     17.49490173      3.12317793    -11.40711773
  O     19.35875308      7.30043299    -11.09100556
  H     18.50395132     10.77816072    -12.56591583
  H     14.97528862      7.53085073    -10.90708895
  O     19.50576056      9.00574946     -8.85100792
  H     10.27955577      7.48310870    -12.69223477
  H     13.81470360      6.69371664    -10.28846740
  O     17.18539471      5.97120825     -9.76274824
  H     11.80237994      7.42833272    -12.94909797
  H     18.53948609      4.95732868    -12.98285363
  O     13.07606614      6.98079665    -14.05293807
  H     16.22128242      6.53184866    -13.95838068
  H     19.39335902      6.19245911    -12.71412916
  O     16.07970912     12.81030440    -11.97940266
  H     17.71610054      6.63321662    -14.27332864
  H     16.49815592     12.35332409    -10.15432667
  O     14.93171637      8.94185914    -15.07662112
  H     18.63989866      6.81105836    -10.66846425
  H     17.74307134     11.96611062     -9.33450431
  O     14.45207645     10.86106810    -13.01150908
  H     18.93297234      7.97635951    -11.64018131
  H     15.58771194      9.48028360    -10.23613766
  O     12.21026869     10.25310011    -11.63999071
  H     19.65756947      8.44809693     -9.62560151
  H     15.13607897      9.76347725    -11.71389655
  O     17.35158668      4.00042880    -11.75478397
  H     19.57961943      9.92124684     -9.14619847
  H     20.29851435     12.28964659     -9.65062093
  O     14.69232510      6.63057042    -10.68786838
  H     16.27734657      6.14527233    -10.05667951
  H     19.34629261     11.69565193    -10.71539994
  O     19.02557169      5.66037813    -13.43102496
  H     17.29271876      6.49867860     -8.96286685
  H     16.05147989      9.19168393     -8.11364655
  O     16.78229306     12.04489722     -9.28525302
  H     13.60997923      7.67452298    -14.45636762
  H     15.92340786     10.67408389     -8.62425031
  O     15.62248550      9.15454868    -11.14426944
  H     13.69139439      6.27531519    -13.81563961
  H     14.89625156      5.78921627    -12.21264167
  O     19.57261383     11.68264175     -9.76812708
  H     15.75553629     13.67324866    -12.22608210
  H     15.82047118      4.70342360    -12.77755779
  O     15.43625056      9.84980327     -8.45868619
  H     15.48330229     12.16370353    -12.39186820
  H     18.15645891      8.34666970     -8.03139150
  O     15.15592756      5.34968922    -13.03916694
  H     15.67751230      8.34030574    -14.91607805
  H     17.56812588      7.71412750     -6.74677461
  O     17.36463449      7.91758468     -7.65625739
  H     14.95270143      9.15158250    -16.00812162
  H     13.66580044      9.83500154     -8.64486855
  O     12.71475598      9.82566640     -8.84281675
  H     14.57386271     10.26050945    -13.75605474
  H     12.28642299     10.29827136     -8.13294655
          69
 Energy    -248.60115962685879     
  O     10.36112702      5.72002099    -12.88360030
  H     10.64682385      6.62046962    -13.08245424
  H     16.49214287      5.82269395    -13.59373711
  O     13.27883267      5.12217130     -7.80881889
  H     10.94338697      5.13756832    -13.38475172
  H     13.91218269      5.15252452    -11.79961299
  O     16.83035050      8.92871998    -13.08903815
  H     13.49519149      4.96931816     -6.89219578
  H     14.83164158      6.23417730    -12.43473945
  O     16.64365696      8.37881606     -9.21816456
  H     14.10274628      5.37975462     -8.25253108
  H      9.92783142      5.35361433    -11.24889809
  O     11.98672159     10.71501305    -14.39663112
  H     16.20559549      9.18645316    -12.39715032
  H      8.80672406      4.97173475    -10.25483113
  O     11.34134707      6.99067884     -8.85203391
  H     16.71408829      9.54991334    -13.81879323
  H     16.54762196     11.09162446    -15.88310981
  O     13.37561407      6.70738085    -15.02203424
  H     16.09021564      8.90563099     -9.81916305
  H     15.36207852     10.15733996    -15.54122542
  O     14.38777059     11.50820740    -13.00804007
  H     16.99314652      8.98789615     -8.57220615
  H     12.21565246      7.88740762    -10.12890652
  O     17.59708404      4.86401813    -12.58827599
  H     11.75146194      9.85239388    -14.01382687
  H     13.24443484      7.37949163    -11.17670498
  O     16.14578157      3.37338361    -10.54678413
  H     11.16730230     11.16890048    -14.57540941
  H     17.99864099      7.87764015    -12.02396840
  O     15.51651101      5.80789321     -9.28393149
  H     10.71488995      6.40757578     -9.30054439
  H     17.88527903      7.57883480    -10.53269896
  O     15.85223781      6.48211548    -13.90192704
  H     11.96079684      6.40839105     -8.39645853
  H     14.82710315     10.45400552    -11.61512693
  O     14.24936807      6.04931950    -11.68611332
  H     12.98754210      5.83151362    -14.91755104
  H     14.20516072      9.21731966    -10.92314604
  O      9.74361349      5.13662854    -10.31752348
  H     14.29405657      6.62311324    -14.72066405
  H     13.19117686      9.85069682    -15.60322248
  O     16.10706804     10.65539163    -15.15927062
  H     13.52567058     11.33162738    -13.40445841
  H     13.69973013      8.41473262    -15.85777237
  O     12.75290932      8.16345236    -10.88403282
  H     15.02393871     11.39256255    -13.72433054
  H     12.41983008      3.96350053     -9.05900355
  O     18.30156497      7.26314066    -11.34126093
  H     17.94831868      5.62116167    -12.09339080
  H     11.16940788      3.98099094     -9.95807355
  O     15.03467222      9.70271731    -11.03968758
  H     17.19739665      4.27607084    -11.94021198
  H     12.28384740      7.70745774    -13.92960913
  O     13.89393997      9.34390217    -16.03034892
  H     16.03376160      4.16737943    -10.00084037
  H     11.98922465      8.25888820    -12.49213842
  O     11.99797636      3.51039544     -9.79887451
  H     16.58241948      2.72487639     -9.99870752
  H     12.81101586      3.77885907    -13.51013171
  O     11.64412692      8.20221013    -13.39619878
  H     15.97055923      6.64168118     -9.11300251
  H     12.14625564      3.39889637    -14.84934921
  O     12.32011479      4.13604308    -14.26826607
  H     15.07495029      5.92430940    -10.14118362
  H     13.00571829      3.30916425    -11.20775274
  O     13.62553946      3.35540784    -11.95559523
  H     16.22539662      7.35372821    -13.71045594
  H     14.50639092      3.18703674    -11.60183573
          69
 Energy    -248.60108974145686     
  O     11.93442164     10.77216227    -15.11841058
  H     11.65519217     10.55828133    -14.22002832
  H     15.84370866      6.20327527    -16.19100786
  O     15.52745033      6.98386496    -13.12599948
  H     12.52576876     11.53283060    -15.06701069
  H     17.62177889      5.64424034    -14.85521703
  O     17.08767889     11.36036031    -11.24283649
  H     16.41532573      7.11169804    -12.76651869
  H     18.69682408      6.70325255    -15.14399792
  O     17.77687804     10.16138084    -15.11187028
  H     14.90595032      7.03263540    -12.38925993
  H     16.71429061     11.43003394    -16.15024009
  O     12.83370224      6.17454556    -15.49009736
  H     16.34689929     11.55728002    -11.83100060
  H     15.69551365     11.13169778    -17.26338388
  O     15.70106673      9.97651869     -9.27118738
  H     16.69778163     10.95122737    -10.45758578
  H     14.57357412      9.16598422    -15.18861140
  O     13.89608498      7.30385173    -10.94189362
  H     16.88310812      9.82210193    -14.94371335
  H     15.31301653      8.46969602    -14.01084081
  O     14.83286185     11.47539814    -12.89141420
  H     18.22038322     10.20839977    -14.25557728
  H     11.29159621      8.83896832    -12.76231833
  O     16.49412550      7.32201728    -17.41740887
  H     12.30999161      5.48261905    -15.88748480
  H     10.13513762      9.77781424    -12.34563945
  O     16.49616258      7.22428540     -9.75601282
  H     13.75821458      5.87766560    -15.52837024
  H     12.50365530      7.02306787    -12.25226721
  O     19.02378243      8.09490865    -16.39913894
  H     15.97623534      9.05549625     -9.34912630
  H     12.23729499      6.81412697    -13.76881921
  O     15.52966941      5.59914378    -15.49839727
  H     14.82187117     10.02973321     -9.66692237
  H     18.31010431     10.52948200    -12.04647150
  O     18.39587919      6.07191278    -14.47728600
  H     14.67809545      7.16154213    -10.39464811
  H     19.82354667     10.33407557    -12.31015283
  O     15.96630986     11.80739636    -16.62839924
  H     13.72033597      8.25770231    -10.92759202
  H     18.40445295      8.26713144    -12.21692040
  O     15.24204792      9.29618928    -14.50697665
  H     14.50609903     12.13851160    -13.50887049
  H     18.32088588      6.83964746    -12.83717829
  O     11.06011089      9.76763969    -12.57860067
  H     14.97924086     10.68078590    -13.42797345
  H     14.33099678      9.35571459    -17.68796163
  O     11.88102039      7.21072502    -12.96580955
  H     17.40229357      7.56944700    -17.20537238
  H     14.68424923      9.71803387    -19.14990272
  O     18.96125133     10.00998336    -12.55562418
  H     16.07349016      8.11513352    -17.76745536
  H     12.50436214     10.02512532    -11.39080616
  O     18.06696172      7.37415119    -12.06844502
  H     16.89508227      6.66345900     -9.09447191
  H     13.91098488     10.59933718    -11.59427448
  O     15.05040502      9.65825489    -18.27086075
  H     17.11318199      7.24702853    -10.50472946
  H     14.64750112     12.52385749    -15.69325881
  O     13.38620655     10.04430490    -10.99915394
  H     19.81693603      8.38461761    -16.84200453
  H     13.79712983     13.77963303    -15.39848329
  O     13.92019754     12.86860267    -15.14537062
  H     18.62777914      8.87932536    -15.98240470
  H     12.66239481      9.46595741    -16.01299570
  O     13.24268531      8.81583072    -16.44130386
  H     15.56444628      6.06737861    -14.64967676
  H     12.99126260      7.92878945    -16.16119925
          69
 Energy    -248.60107190296242     
  O     16.67161225      9.74709667    -11.49622433
  H     17.52961626      9.32662773    -11.65416794
  H     13.03605419      9.46834794     -9.99136929
  O     14.55997820      4.66985628     -7.14502396
  H     16.80758045     10.68127725    -11.30147670
  H     13.37619785      8.00077429     -6.58002464
  O     17.03613186     12.36859540    -10.65333113
  H     13.69208188      4.95690828     -7.48753971
  H     11.99227423      8.58035931     -6.20307811
  O     12.27958059      5.69735470     -8.11648480
  H     14.43036041      3.82148379     -6.73133750
  H     16.43840256      4.72938838    -12.66734757
  O     15.05705928      8.10463704    -12.95898421
  H     17.21892334     13.21050790    -11.06048558
  H     17.30226664      3.64986023    -13.35760246
  O     18.93905113      8.23483083    -11.83497093
  H     17.81461929     12.13787885    -10.11234217
  H     15.76822550      6.57950233     -9.33718486
  O     20.63296282      9.30744714     -9.82585172
  H     12.23487493      5.77574520     -9.08099063
  H     15.50723645      5.21751489     -8.61718531
  O     18.36888848      5.76622753    -10.59956972
  H     12.20723129      6.59069444     -7.76248987
  H     17.48299508      6.22770783    -13.86223292
  O     12.33396420      6.04422927    -10.86199278
  H     15.73726869      7.76860308    -13.55988570
  H     18.04505860      7.60884070    -13.50199221
  O     15.35189708     11.70911338     -8.41481468
  H     15.52420788      8.76845895    -12.42861145
  H     17.39999366     11.64974741     -5.99143558
  O     12.66833261      8.76949777    -11.72783750
  H     19.61599307      8.65866603    -11.29357770
  H     16.63388935     11.30957146     -7.29192733
  O     13.39188614      9.77995697     -9.15000480
  H     18.73648847      7.39349209    -11.39971527
  H     14.90080984      8.77673627     -9.17968104
  O     12.52903706      8.31524848     -6.94557754
  H     20.30288374      8.57561282     -9.27254414
  H     16.16007446      8.81698637    -10.06606526
  O     17.34061007      4.51658143    -12.96142944
  H     21.58462321      9.28911255     -9.76744437
  H     18.63760090     11.34074551     -8.21964906
  O     15.90057213      5.62035953     -9.39925679
  H     17.54362176      5.67324422    -10.09960722
  H     19.61276140     10.79185819     -9.29972353
  O     17.41144868      7.16531638    -14.07927842
  H     18.23966304      5.23997771    -11.39721086
  H     15.75939711      7.60780668     -6.25276892
  O     17.42175845     11.08898173     -6.76235762
  H     13.09188446      5.65535584    -11.31363155
  H     14.86151921      6.35055947     -6.29727262
  O     15.74259396      8.33359113     -9.34118457
  H     12.32113336      6.96824113    -11.13694842
  H     15.21109268      5.44317539    -11.04171558
  O     19.04430534     11.53779343     -9.07265220
  H     14.61764689     11.13933124     -8.67593347
  H     14.95568308      6.35550140    -12.27767313
  O     14.87438349      7.28291001     -6.04655619
  H     15.77671620     12.00629300     -9.22864318
  H     18.81893248      7.51640171     -7.88671528
  O     14.92866269      5.43876167    -11.96987094
  H     12.05682218      9.16031941    -12.34838534
  H     19.22868336      6.61042315     -9.08302062
  O     19.56216849      7.25439536     -8.44667075
  H     13.46716902      8.54690972    -12.23419492
  H     17.43653625      9.23187071     -6.83559099
  O     17.31412324      8.30599014     -7.08145903
  H     12.95444725      9.30353729     -8.43020356
  H     16.78245669      8.32270152     -7.89260400
          69
 Energy    -248.60101140689710     
  O     17.98709473      8.53196297    -15.79434578
  H     17.03456078      8.60001905    -15.65014549
  H     16.43880511      5.96744448    -16.81308927
  O     16.30389968      1.64446479    -12.36288169
  H     18.12813713      7.72911754    -16.31140251
  H     17.99907617      1.34683018    -12.13976262
  O     20.71530435      5.75873008    -13.39046689
  H     16.23310267      1.96228942    -13.27251552
  H     19.21160142      0.52492146    -11.63604635
  O     14.09447972      3.90392608    -15.87789246
  H     15.80240192      2.25751914    -11.81282293
  H     13.39058301      6.86657368     -9.77882517
  O     13.46958667      5.09458482     -9.04571455
  H     20.32923684      5.15893089    -12.73583008
  H     14.21057251      8.15827149     -9.62547691
  O     16.88211822      7.71864235    -11.29878701
  H     20.62229577      5.31087408    -14.23909500
  H     18.59342522      4.39454426    -11.02127541
  O     19.20868640      2.08962620    -14.87625432
  H     14.55377292      4.67830616    -16.25484922
  H     19.16393780      3.12482638    -11.74631521
  O     17.25847219      5.21106484    -10.07956679
  H     13.36362648      3.70256097    -16.45456464
  H     14.29003814      4.60843212    -14.14951162
  O     18.31230337      5.98715748    -17.10385791
  H     12.77029702      4.55416088     -8.68625785
  H     15.59462447      5.07885692    -13.44915719
  O     17.37246553      5.08057527    -13.66119795
  H     13.94170605      4.54436247     -9.69182846
  H     19.49705071      7.07691944    -13.34022973
  O     20.25721416      4.36910393    -15.89683049
  H     17.60044161      7.76956750    -11.94650895
  H     18.55587577      8.02997752    -14.16980305
  O     15.48498366      6.04593972    -16.69062856
  H     16.05503681      7.72893234    -11.79797161
  H     14.38976184      6.73630618    -12.94425967
  O     18.97296220      1.31735292    -12.10855231
  H     19.28040496      1.76135142    -13.97278125
  H     13.98932947      7.79205496    -11.87454933
  O     13.51033433      7.74982121    -10.14944793
  H     18.25977769      2.15085801    -15.05587393
  H     15.83826073      4.20970588    -10.63772987
  O     19.15505586      4.08958446    -11.74810039
  H     16.93953092      5.37268680     -9.18042195
  H     14.76132359      4.18175050    -11.75966253
  O     14.63087591      5.01824988    -13.34622774
  H     17.17034495      6.05202304    -10.54977635
  H     16.87017853      3.60419863    -14.63509725
  O     18.66907303      7.57831013    -13.32270470
  H     18.56046168      5.95926910    -18.02621775
  H     15.67570169      2.98664062    -15.39683988
  O     14.44410384      7.67779081    -12.72227113
  H     18.95219710      5.42956443    -16.63590519
  H     15.04184911      5.67679185     -8.05316268
  O     15.02038137      3.77324247    -10.92049989
  H     17.94799804      4.62616310    -13.02974251
  H     15.93451441      6.92776076     -7.99637390
  O     16.51745818      2.76960683    -14.98098630
  H     17.71966252      5.97887260    -13.71120371
  H     16.37370766      8.38696431     -9.71854179
  O     15.92159099      5.98200941     -7.79884190
  H     21.09228086      4.15158691    -16.30489563
  H     16.30746248      9.46779813     -8.61622061
  O     15.93458915      8.63256931     -8.88611916
  H     19.90753247      3.53877764    -15.52771553
  H     14.90366077      8.28252293    -14.34103246
  O     15.16048406      8.49125543    -15.25403804
  H     15.33252233      6.88195291    -16.23324748
  H     14.60293567      9.21532764    -15.53037163
          69
 Energy    -248.60075061258252     
  O     -2.10117229      5.94259434     -2.03848224
  H     -2.48790791      5.05699371     -1.93043530
  H     -1.51499656      0.50085209      4.24879497
  O      1.48762758      2.51083660      5.59335672
  H     -2.65193891      6.40827046     -2.66286872
  H      1.05925064      4.97324979     -2.40271788
  O     -0.96315008      3.04456837      0.25746133
  H      1.42566482      3.04815458      4.78949954
  H     -0.18181487      5.86013341     -2.13569459
  O     -0.10387798      1.26461227     -2.73183679
  H      1.99453298      3.02704611      6.21527493
  H     -3.72030682      3.42631395     -0.75823670
  O     -0.98414264     -0.95222537      1.73366270
  H     -1.66785428      3.18249816     -0.38600944
  H     -3.11068522      2.59991951     -1.94163087
  O      1.03538659      3.74402070      3.13152793
  H     -0.54133145      2.19852210      0.06283206
  H     -3.70218757      0.05074977      0.61488149
  O      1.70021947      3.27667425     -2.94489046
  H      0.14885411      0.91500074     -1.86436460
  H     -2.40856179     -0.75697724      0.45464874
  O     -1.72592038      6.45191733      0.74882479
  H     -1.05527116      1.12950948     -2.79162980
  H     -2.92091495      5.83878137      1.84998381
  O      0.02892760      0.17768874      5.07036350
  H     -0.12551503     -1.15474929      2.12583387
  H     -3.95789857      6.08661223      2.97251002
  O      2.84194166      3.18707675     -0.30111906
  H     -1.43222139     -0.37598709      2.37011687
  H     -2.34536645      4.05522418      2.90845444
  O      0.86006419      5.09963398      0.63903529
  H      0.07722451      3.60702108      3.18414207
  H     -1.50562927      3.19733091      1.92804048
  O     -2.19494661      0.76190095      3.60964031
  H      1.16525833      4.37825504      2.41671040
  H     -3.46642094      0.34379085     -3.09456707
  O      0.76943009      5.79570661     -1.98586066
  H      1.02193801      2.57935805     -2.92463968
  H     -2.99456696      0.38524717     -1.62370350
  O     -3.10275565      3.46127589     -1.50716005
  H      2.20408082      3.14129874     -3.74360907
  H     -3.75189662      0.77238813      2.75054813
  O     -3.12292597     -0.34625968     -0.04686983
  H     -0.81350987      6.16509014      0.86410643
  H     -5.25231008      0.43964284      2.60271265
  O     -3.54371428      5.39973152      2.45768788
  H     -1.89742142      6.39138464     -0.19947101
  H     -4.60799241      2.53126334      1.26484507
  O     -1.69067175      3.34876077      2.86925729
  H      0.61770206     -0.28099410      4.46040703
  H     -4.34998681      4.05413558      1.37124068
  O     -2.93527160      0.84437953     -2.48078279
  H      0.51589942      0.96107009      5.36309803
  H      1.84053433      2.21130825      2.34803947
  O     -4.51423246      0.84284255      2.15157568
  H      2.34745055      3.93484641      0.05450901
  H      2.66167097      2.02515603      1.05586120
  O     -4.59792452      3.35177742      0.75756976
  H      2.56656290      3.12782682     -1.22373675
  H      1.09358916      0.93808359      0.47398366
  O      2.25432247      1.53992431      1.79030286
  H      0.24385323      4.35974462      0.50788631
  H     -0.15711004      0.03183411      0.45158980
  O      0.36995618      0.63461696     -0.08872082
  H      0.95198777      5.50990474     -0.23569595
  H      2.36904482     -1.49815274      2.96283616
  O      1.61394960     -0.91697723      2.91429059
  H     -2.02857676      1.69474637      3.40773193
  H      1.93523531     -0.07643338      2.54807998
          69
 Energy    -248.60009699333543     
  O     -0.99395740      3.72961389      2.52197772
  H     -0.48064617      2.92049905      2.38139360
  H     -0.59564176      8.40249884      0.50408066
  O     -2.85734152      5.94032744     -0.44401523
  H     -1.82607798      3.61619073      2.04347202
  H      1.21589020      1.90256273      1.24559630
  O      4.51525057      6.56999359      0.55195118
  H     -2.04945157      5.86074204     -0.97304512
  H     -0.17657669      1.36712146      0.86679915
  O      2.11450979      7.47424651      1.67266320
  H     -2.66038073      6.57227317      0.25798164
  H     -0.29851600      3.94460444     -2.34477425
  O     -0.43898277      5.58532887     -1.71391302
  H      5.35522333      6.97319816      0.35123609
  H     -0.50978913      2.48391050     -1.84915624
  O      2.47299313      3.06307608      0.44126545
  H      4.10458291      6.33710581     -0.30062667
  H      0.76982692      8.18795164     -1.51056942
  O      0.67126394      5.15268100      0.73097800
  H      2.13864601      7.17773727      2.59112084
  H      1.04620118      8.51757696     -2.99866188
  O     -1.99790190      7.68457399      1.61894653
  H      2.97746240      7.26582128      1.29033852
  H     -3.65898948     -0.25337994     -2.63521475
  O     -1.45217734      1.59008616     -0.54579621
  H     -0.02552909      5.43112227     -0.84793673
  H     -3.30530643      1.24750328     -2.80097602
  O     -0.67600357      6.25197526      3.54415175
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  H     -4.79719603      3.81868285     -1.82614302
  O     -3.10663971      3.45524276      0.75222793
  H      2.67353391      2.99618734     -0.49794403
  H     -3.94634058      5.09768691     -1.78694291
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  H      1.85931662      3.81103228      0.51813998
  H     -3.26073609      3.33131863     -3.37565947
  O      0.40411152      1.53576914      1.62020078
  H      1.09426629      5.93680158      1.09936818
  H     -1.81807539      2.77605187     -3.52055864
  O     -0.13605905      3.01416760     -2.56727383
  H      0.08933558      4.77014035      1.40116048
  H      1.64112563      3.13362622     -2.52990472
  O      1.08307656      7.81512339     -2.35556614
  H     -2.56362308      8.30637804      2.07093985
  H      3.03836710      2.78438622     -3.08630597
  O     -3.59458854      0.57006494     -2.16012297
  H     -1.51614633      7.20101712      2.31247798
  H      2.69843209      5.45519893      3.57591669
  O     -4.33914343      4.45347536     -2.38893590
  H     -2.09632680      1.06184265     -1.03011718
  H      2.54116137      6.11897743      4.96107057
  O     -2.74269050      2.58623405     -3.71652921
  H     -1.96352146      2.26868629     -0.08135802
  H      4.15295182      5.21409335      1.85845734
  O      2.59315495      3.28602628     -2.40784771
  H     -0.88597766      5.32339772      3.36251189
  H      3.39819229      3.88420896      1.87178839
  O      2.15487288      6.07883232      4.09022480
  H      0.24296201      6.24868343      3.83316951
  H     -6.10038113      1.90000501     -0.50911958
  O      3.74466465      4.57272533      2.45386175
  H     -3.91984276      3.05051588      0.42885642
  H     -4.73787689      1.59495030     -1.17184845
  O     -5.23151205      2.26098781     -0.66666706
  H     -3.04877171      4.33238599      0.34527652
  H      2.99454804      5.12386169     -2.03627130
  O      3.24359608      6.01356063     -1.75988834
  H      0.93046300      8.38721447      0.66557598
  H      2.53446387      6.60948568     -2.02915007
          69
 Energy    -248.59940109290920     
  O     13.16417310      9.60725874     -9.44628342
  H     12.75564998     10.41894549     -9.11934717
  H     10.98277866      7.39560727    -12.22687962
  O     14.33957832     14.14393691    -11.92547865
  H     14.07114181      9.84170418     -9.69055554
  H     15.69862248      5.83040960    -11.50947406
  O     11.41559156     10.14789327    -15.93136116
  H     14.61055675     13.73240618    -11.08505854
  H     15.46008885      7.18416862    -12.19304771
  O     11.00695295      7.57635164    -15.28382166
  H     14.67307296     15.03702151    -11.91463906
  H     11.61514894     12.42524726    -12.06099828
  O     11.92057784     11.11380306    -13.35792074
  H     11.20233794      9.21948863    -15.72561696
  H     12.52433142     13.57606102    -11.59832336
  O     14.52509364     12.03718395    -13.79061882
  H     10.85444721     10.40589971    -16.65731559
  H     13.35093620     10.12583278    -16.05320216
  O     12.18601109     12.15774265     -8.84716060
  H     11.90364053      7.22574386    -15.40038531
  H     14.46290875     10.91532600    -15.34980332
  O     15.81890484     10.28550310    -10.04509001
  H     10.70529909      7.21997457    -14.44157569
  H     17.74970599      7.46995039     -9.15399446
  O     14.87943451     12.88746727     -9.57923478
  H     11.61478759     10.84808211    -14.23413373
  H     16.72810928      7.37038750    -10.31092799
  O     14.15627893      8.22942876    -12.90874544
  H     12.83740665     11.40335829    -13.47374788
  H     14.16897218      5.56693357    -10.02517524
  O     13.00064833      4.97785337    -13.15248413
  H     14.52116928     12.83465300    -13.24755270
  H     14.36202231      4.03537917    -10.09928050
  O     10.64791928      6.56996745    -12.61635563
  H     15.20307024     11.45073191    -13.42211961
  H     17.16142580      7.98154703    -14.61634975
  O     16.15825548      6.61226407    -11.83850571
  H     11.58381466     12.55969449     -8.22725015
  H     17.34334015      7.40965001    -13.19572184
  O     11.73275838     13.07820460    -11.35847832
  H     11.94033149     12.48474548     -9.73168574
  H     16.32230594      7.96244541    -16.96486362
  O     14.30919747     10.18585326    -15.96259462
  H     15.99245526     10.29867253    -10.99795343
  H     15.38901383      8.78779304    -16.05311944
  O     16.88404815      7.75746080     -9.43252409
  H     16.27902162      9.51106682     -9.70081897
  H     13.58825223      5.94821322    -14.57539846
  O     14.34166889      4.82591599    -10.63230417
  H     15.32789221     12.03472693     -9.65992700
  H     14.49192342      6.85107530    -15.53086148
  O     17.69330815      8.06387100    -13.81307456
  H     14.02322600     12.69850965     -9.17673942
  H     15.08648883      7.22958393     -8.92412892
  O     15.94810970      7.99054061    -16.08752645
  H     13.33124818      8.42198198    -12.44955063
  H     13.66902299      7.81184693     -9.02732063
  O     13.60195154      6.69098333    -15.19992970
  H     13.92195934      7.79716558    -13.73937784
  H     15.37054335      9.51121174    -12.85728416
  O     14.15437111      6.98045224     -8.96134077
  H     12.16422813      5.42147854    -12.96024918
  H     16.88085065      9.57401295    -13.12247126
  O     16.14542086     10.09015628    -12.76795940
  H     13.44143036      4.87301006    -12.30147728
  H     12.15658199      9.14630563    -10.85891664
  O     11.73998104      8.90804305    -11.69859447
  H      9.85845501      6.34061371    -12.13247953
  H     11.71923489      9.69992556    -12.25588564
          69
 Energy    -248.59909088788720     
  O     13.32528320      9.38455461    -16.67054662
  H     12.93753969     10.26181416    -16.49997626
  H     13.73458054     11.97079121    -13.24203640
  O     11.10977055      7.58818388    -10.51521582
  H     13.69963338      9.41341032    -17.54680906
  H     17.14395181      9.69990274    -10.41280626
  O     14.15382766      8.79103098    -14.05370960
  H     10.89893444      8.47642727    -10.21018279
  H     18.29328986      9.74239975    -11.44608736
  O     12.99645981     12.75479255     -7.03621887
  H     12.03778280      7.44016140    -10.27728076
  H     15.23843447      7.75231252    -12.84280931
  O     12.10397137     11.73210741    -16.02876944
  H     14.00198880      8.91783386    -14.99812958
  H     16.37041112      8.10614980    -11.85769258
  O     11.60003095      8.36135315    -13.10680803
  H     13.28971793      8.58622823    -13.66491856
  H     12.96954862     15.39131831    -11.63041046
  O     14.60839505      8.28756105     -7.45450112
  H     12.45063615     13.01975162     -7.79974654
  H     13.88876728     14.17778842    -11.34023863
  O     13.70589721     10.26434881    -10.53356856
  H     12.79912105     13.36142398     -6.32847666
  H     14.22796417      7.59565068     -9.15944520
  O     12.43913729      9.99163249     -7.44843181
  H     12.41201762     12.09002308    -15.18601478
  H     14.54861605      7.34393364    -10.68610580
  O     15.44909306     13.41886435    -11.17379315
  H     11.16661823     11.53750096    -15.90469953
  H     10.03920227     10.95605692    -13.60053326
  O     11.03677918     10.54187171    -10.05382371
  H     11.40476527      7.91004010    -12.27500694
  H     11.35943940     11.47257986    -12.97521624
  O     12.88478714     12.39949615    -13.39642335
  H     11.24898461      9.25664174    -13.00881476
  H     14.47006171     12.34378563     -8.11418290
  O     17.34387155      9.70072281    -11.36595257
  H     14.60073303      7.78489815     -6.64381313
  H     14.51219082     11.38111169     -9.32725517
  O     15.70355513      7.43822067    -12.05661489
  H     13.83693191      8.87996522     -7.42091992
  H     14.91850370     10.20259902    -13.31234286
  O     12.96445294     14.44800096    -11.48839388
  H     14.19621893     10.47841229    -11.33396915
  H     16.06656978     10.57394428    -12.33881912
  O     13.84795085      7.52994949    -10.04346695
  H     13.78922097      9.31146611    -10.38734766
  H      8.62335089     10.79346702    -15.79930019
  O     10.56332779     10.95404803    -12.78960854
  H     12.61593196     10.90020259     -7.17132220
  H      9.84478646      9.86858032    -15.57736148
  O     15.04223303     12.01351386     -8.81602448
  H     11.78885132     10.06062576     -8.15401111
  H     16.11050013      9.18855208     -8.25744930
  O     15.27884020     10.92822868    -12.77665259
  H     15.42727280     13.01272035    -10.29396960
  H     16.28384182     10.65826647     -8.64765513
  O      9.48151003     10.75249760    -15.38661126
  H     15.58429439     12.69738626    -11.79556162
  H     11.98894460     13.66137231    -10.04443256
  O     16.69633737      9.78712098     -8.73502435
  H     11.99119804     10.47189576    -10.22721350
  H     11.25087617     12.38463548     -9.56696700
  O     11.57860941     13.24505615     -9.27726121
  H     10.63454455     10.68049462    -10.92222019
  H     10.98793373      8.16389934    -14.85882754
  O     10.76283030      8.38573788    -15.77393388
  H     12.84793402     13.16828453    -12.81230928
  H     11.60478211      8.56786762    -16.20774024
          69
 Energy    -248.59894494993850     
  O     17.89035975      8.58224357    -10.55062873
  H     17.11218426      9.14613584    -10.65877944
  H     18.50709282      8.82804630     -8.89052895
  O     14.11200066      8.39949525     -9.39581002
  H     17.60025091      7.66838800    -10.43833850
  H     19.66331371     10.24705500    -12.42355579
  O     20.01771275      3.34201876    -12.37043807
  H     13.44521633      8.68313515     -8.77524276
  H     18.93788716      9.02364290    -11.83986313
  O     21.33358774      7.37453288    -11.94841454
  H     14.84216580      8.03135187     -8.86671822
  H     20.92982213      4.66908284    -13.45642398
  O     19.02801906      5.96431668    -15.57101326
  H     20.16085932      2.39962376    -12.37048050
  H     21.34817805      6.14730208    -13.32426503
  O     22.70008923      8.22515944     -9.63007023
  H     19.19949700      3.50285022    -12.87425033
  H     18.16800869      4.56520412    -14.55814590
  O     16.20793217      7.36313489     -8.01998261
  H     21.90691686      7.70664158    -11.24714766
  H     17.14954844      4.50744102    -13.40930591
  O     20.81612373      6.90372675     -8.21327772
  H     20.75961770      8.10189665    -12.22651750
  H     15.06623116      9.75668487    -10.34792425
  O     17.27982105      5.88938377    -10.09321253
  H     19.83941511      5.82445498    -15.04981577
  H     15.50156772     10.02858713    -11.82096051
  O     17.81307431     11.32679768     -7.31341337
  H     19.27971870      5.92120501    -16.48952432
  H     14.62291837      8.53040282    -13.07352808
  O     17.50101872     12.14404040     -9.90086250
  H     22.09694649      7.72167174     -9.05208417
  H     15.97179357      8.82217139    -13.76960584
  O     18.79189205      8.88183044     -7.96466460
  H     23.58259584      8.08628869     -9.29789802
  H     21.62466730      9.75930933     -9.45570845
  O     19.46434271      9.32087060    -12.60203693
  H     16.54124495      6.68598213     -8.62872117
  H     20.27950564     10.01172108     -8.75593478
  O     21.15515388      5.45379957    -13.97031112
  H     16.98190585      7.86312545     -7.74364770
  H     13.86321848      7.55635380    -11.01875788
  O     17.83735269      3.99417487    -13.85348386
  H     20.09189338      7.50424732     -7.99200997
  H     12.87292361      6.88197910    -11.99237900
  O     15.69542994     10.24039810    -10.89483222
  H     20.46920350      6.25998312     -8.84457659
  H     18.25218311      8.40690675    -13.65033877
  O     15.18665369      9.24357555    -13.39516263
  H     18.21194600      5.64303346    -10.17698553
  H     18.04245233      7.26458345    -14.67755104
  O     20.92929498     10.41834493     -9.33824464
  H     16.86856736      5.75382159    -10.95756714
  H     20.47673622     12.60285077    -11.59436004
  O     13.77790872      7.17307507    -11.90544646
  H     17.69016605     11.68893525     -8.20814047
  H     20.33386634     11.37042329    -10.66864417
  O     17.57943795      7.84792193    -14.06275021
  H     17.88869526     12.07750115     -6.73120910
  H     15.30196309      6.23484581    -12.42604605
  O     19.93728516     11.83400969    -11.42925524
  H     18.26364569     12.09843189    -10.48838231
  H     16.66750879      6.59594336    -13.07952817
  O     16.18304047      5.89383610    -12.61962492
  H     16.81161607     11.59700442    -10.30123920
  H     20.38694393      6.10827842    -10.99332718
  O     19.96150327      5.40864916    -10.47734687
  H     18.44633716      9.71497490     -7.60757233
  H     20.01831388      4.60726261    -11.01283175
          69
 Energy    -248.59871919227888     
  O     -1.19579129     -2.37612850     -0.05506189
  H     -0.81898465     -1.53106501      0.21902102
  H     -1.61466260     -7.58376624      0.28488736
  O     -2.13288674     -0.37079976      7.42402725
  H     -2.15281149     -2.27069946     -0.12879752
  H      2.83128190     -3.10988155      3.20649710
  O     -1.51083082     -0.24429373      3.42641397
  H     -2.91345234     -0.92472167      7.54553956
  H      3.11904507     -4.62128909      3.35455632
  O      1.50555974     -3.63697320      5.96854999
  H     -1.50945885     -0.91164855      6.91671406
  H     -0.81578164     -3.31307727      1.50748927
  O     -4.46460517     -2.05582876      7.19358814
  H     -1.80179310      0.41454696      4.07000900
  H     -0.29585196     -4.49580035      2.40846189
  O     -0.68327478     -1.93529866      5.63219987
  H     -2.31196668     -0.68443561      3.10599567
  H     -2.17365850     -3.83639752      3.18122764
  O     -0.42514906     -5.65639211      5.33577075
  H      2.02604493     -3.63411843      6.76771713
  H     -3.04852254     -4.06329573      4.44100640
  O     -4.81626165     -0.41707720      5.03583046
  H      2.13158729     -3.68878405      5.22522534
  H      3.50119873     -6.76381948      2.01827391
  O     -0.00566251     -0.07771908      1.14435828
  H     -4.66214825     -1.50797949      6.41307779
  H      2.73001706     -5.53903283      1.46239425
  O      0.05624141     -6.26799856      2.70270970
  H     -5.26736202     -2.09993317      7.70619097
  H     -4.02782461     -1.63634721      1.68239177
  O     -3.73609765     -4.88727765      0.92744642
  H     -0.77728906     -1.50365080      4.77596139
  H     -3.67633193     -2.38172641      2.98741918
  O     -1.54747666     -6.65897084      0.51055556
  H      0.14562828     -2.43044611      5.65188235
  H      2.29206207     -3.49381641      0.71425852
  O      3.12612343     -3.78416596      3.83410976
  H     -1.23435340     -5.28669875      5.70669424
  H      1.63004172     -4.50843999     -0.25203509
  O     -0.57094040     -3.56842402      2.40855568
  H      0.27656425     -5.04509058      5.59444738
  H      1.41514288     -1.31654161      1.67742748
  O     -3.08497521     -3.97733182      3.48097606
  H     -4.19490839      0.31287914      5.14406857
  H      0.99397551     -2.66146055      2.27333416
  O      2.81744418     -6.13495685      2.23088262
  H     -4.64946949     -0.76945428      4.15171523
  H     -0.44125088     -3.89560461     -0.82975072
  O     -3.86533154     -1.50282396      2.62240794
  H      0.08843363      0.83413734      0.88160308
  H     -0.55128557     -5.41666845     -0.58782147
  O      2.42222698     -4.34537815      0.28144790
  H     -0.50443350     -0.08067422      1.97977199
  H     -2.41766419      0.85572872      6.21487993
  O      1.77276658     -2.14273368      2.01658409
  H      1.01462948     -6.32248909      2.59486872
  H     -2.59230710      2.31223549      5.72202638
  O      0.00228788     -4.73906335     -0.99253198
  H     -0.14056478     -6.16910059      3.64728443
  H     -1.90003908     -3.24365948      5.99790000
  O     -2.61140183      1.40424853      5.43301937
  H     -3.04922610     -5.52832080      0.70938307
  H     -3.29117647     -3.43405712      6.62594934
  O     -2.57818135     -3.91147530      6.18495499
  H     -3.64314216     -4.71416356      1.87494721
  H     -4.64939494     -2.34313010     -0.76344630
  O     -4.00624316     -2.39275934     -0.06194241
  H     -1.00108896     -6.60854772      1.31301531
  H     -3.97064709     -3.32507550      0.22476937
          69
 Energy    -248.59841355774114     
  O     18.04989751      9.60874100    -11.07975072
  H     18.20350417     10.42978137    -10.59463799
  H     19.38973075      5.22092068    -12.85340357
  O     13.44392524      6.85927492     -8.69181496
  H     18.80337530      9.01475818    -10.95678847
  H     15.49300985      5.80466673    -10.69416594
  O     18.17302970     11.88165686     -9.46217582
  H     14.22437661      6.34767049     -8.94945038
  H     16.13599140      6.64645260     -9.55943212
  O     16.05554666      8.77493207    -12.79973948
  H     12.92734770      6.94388523     -9.50631886
  H     21.03865078      7.08353136    -13.63045365
  O     19.89678658      7.58860267    -10.62799932
  H     18.25854798     12.81151205     -9.65448098
  H     20.15876743      7.22622200    -12.36919789
  O     21.03777495      8.25869572     -8.17176786
  H     17.35750481     11.77545253     -8.93845259
  H     17.21930837      9.18955905     -5.88850549
  O     18.54076267      5.27734132     -9.84273957
  H     16.53455277      8.37325315    -13.53994828
  H     17.23820297     10.26683358     -4.77895435
  O     12.54699102      7.22412822    -11.27770976
  H     16.73376365      9.12078734    -12.20264341
  H     18.48310187      7.27827372    -14.20353216
  O     16.01006590     11.44622481     -7.89420669
  H     20.39931306      7.83482779     -9.84113256
  H     17.24086913      6.44474290    -14.55948575
  O     13.72635563      9.83029331    -11.78894766
  H     19.37795236      6.80528308    -10.38945349
  H     15.80356431      8.78867137     -9.05300357
  O     14.18684593      9.58709241     -9.01560657
  H     20.53717486      9.04608621     -7.89247290
  H     17.18671407      8.72699030     -9.74496688
  O     18.83454206      4.50111672    -12.53013268
  H     21.92191251      8.35836999     -7.82899930
  H     18.89217612     10.34852489     -6.78898256
  O     15.80129865      5.76162795     -9.77738703
  H     17.57464943      5.28962533     -9.81386373
  H     19.20897869     10.97456529     -8.15805506
  O     20.15823517      6.93263875    -13.29486673
  H     18.84461160      5.40418456     -8.93161459
  H     13.98215079      5.92307575     -5.62297298
  O     17.35036130     10.13792073     -5.71713253
  H     12.74043329      8.14227712    -11.49883633
  H     13.93719213      6.72398924     -6.93004493
  O     17.58926141      7.34495042    -14.56144640
  H     13.23482226      6.71644330    -11.73024350
  H     15.41319499      5.60675288    -12.98862066
  O     16.63058693      8.28891669     -9.09204087
  H     15.26847392     10.90450166     -8.19249623
  H     15.33878737      7.07534587    -12.49787332
  O     19.57728314     10.41309397     -7.46574311
  H     16.35366897     11.03072221     -7.09313874
  H     19.93519165      6.80577523     -7.49841406
  O     14.40735723      6.64136618     -6.08612296
  H     14.53296060      9.49682705    -12.21699842
  H     18.54803796      6.51000223     -6.89250608
  O     14.95395564      6.19610264    -12.37737092
  H     13.38906048     10.52637431    -12.34734905
  H     16.95511784      7.79769172     -7.41595588
  O     19.30401027      6.09651556     -7.32921280
  H     13.97937197      9.75556790     -9.94495951
  H     16.13677375      7.17217900     -6.25367613
  O     17.00037497      7.54516158     -6.48018966
  H     13.81065772      8.72387506     -8.79697289
  H     16.50118593      3.90788525    -14.60229575
  O     16.60698603      4.68502517    -14.06075061
  H     18.78253941      4.61623578    -11.57164503
  H     17.38536783      4.53123039    -13.49532235
          69
 Energy    -248.59816116510876     
  O     14.58391993      9.91161018    -15.87595395
  H     14.66238665      9.52399655    -16.75574457
  H     19.57423121      5.04405286    -15.62155757
  O     14.13956286      4.01716937    -16.35687393
  H     13.83520979      9.47652919    -15.45043640
  H     18.99323581      7.19536343    -16.53958522
  O     17.93851994      6.37229934    -11.93615002
  H     14.15097365      3.99468763    -15.39104848
  H     17.52463661      7.65138303    -16.38764673
  O     16.75439976      6.92375736    -18.85123998
  H     13.74721326      4.87241734    -16.58021426
  H     16.39146880      5.96406786    -16.04716590
  O     13.94994958      5.63454279    -10.25819403
  H     17.28991246      6.99183922    -12.30513444
  H     15.14332718      6.83391563    -15.89314624
  O     14.31208476      4.32974755    -13.54446524
  H     18.79909349      6.65260116    -12.27241878
  H     11.58586033      8.69185016    -14.36105638
  O     16.15032653      7.99107420    -13.18755785
  H     16.70473958      6.03273416    -18.47952092
  H     12.80716756      7.88552805    -13.86432407
  O     18.58017451      3.42017054    -15.47911212
  H     17.47291188      7.35316520    -18.36742562
  H     16.60124620      3.64938559    -10.24553086
  O     13.74040840      2.91696729    -11.16711863
  H     14.87030779      5.63867500     -9.96802004
  H     16.76988364      3.09233551    -11.66461752
  O     19.08340878      9.43907199    -14.57155516
  H     13.74431959      4.71178610    -10.45386214
  H     12.93130414      7.26412343    -16.02244758
  O     16.67418283      4.57905014    -17.24017059
  H     14.05533755      5.23611850    -13.33186530
  H     13.68859808      7.33008782    -17.37998306
  O     19.95493514      5.92592053    -15.70877937
  H     14.00705559      3.77794156    -12.81302609
  H     21.08897851      7.61348883    -12.96156795
  O     18.37181584      7.90078297    -16.78259693
  H     16.17111955      7.53853486    -14.04775620
  H     19.81350475      8.15202011    -13.64859207
  O     16.05510795      6.74610588    -15.58949979
  H     16.28695346      8.92965257    -13.35953250
  H     16.13858495      4.18617180    -13.45557804
  O     12.45624464      8.39548166    -14.61468108
  H     18.92319886      2.53252698    -15.41549711
  H     17.41620398      4.85795328    -12.86238346
  O     16.43329780      2.86742619    -10.78720961
  H     18.05380578      3.57820210    -14.67668258
  H     17.21290595      5.78248922     -8.84840770
  O     13.41409189      6.73472995    -16.66924247
  H     14.68714047      2.78135903    -10.98285951
  H     17.24037328      5.81645458    -10.39301227
  O     20.19762586      7.37478056    -13.20263513
  H     13.29004703      2.11609806    -10.91399828
  H     14.36740105      8.94898470    -19.24833062
  O     17.08390587      4.05814697    -13.29141558
  H     18.28910529      9.94855528    -14.37871715
  H     15.38413471      7.97326375    -18.61692469
  O     16.76594091      5.45568571     -9.62529860
  H     18.92197090      9.03109350    -15.43483334
  H     14.54314451      7.37951657    -12.75266921
  O     14.61810620      8.54279892    -18.42295263
  H     17.34278873      4.06804140    -16.77110112
  H     13.66035424      6.58043224    -11.75080657
  O     13.67693539      6.95947932    -12.64159428
  H     15.80152213      4.22624114    -17.00283315
  H     15.85287822     10.41536628    -14.78989436
  O     16.50672403     10.61031267    -14.09443762
  H     20.08829474      6.26522284    -14.81611593
  H     16.32933373     11.49783290    -13.79479554
          69
 Energy    -248.59783944602577     
  O     15.39356341      5.44713281    -13.93821480
  H     14.60683327      5.99139637    -13.81217732
  H     16.66481911      5.50356540    -12.74988415
  O     18.29570185     13.48087919    -11.42426277
  H     15.51103282      5.34496450    -14.89001440
  H     17.25098914      9.44497406    -15.28925819
  O     20.17404689      8.99717634    -15.07749534
  H     17.45750506     13.33698234    -10.96777318
  H     16.23589129      8.37847926    -15.76403045
  O     15.41948456      7.94448335    -17.35020004
  H     18.16101892     13.14960053    -12.32267518
  H     13.99627884     11.62608660    -14.15629431
  O     17.54408217     10.46016805     -9.49109287
  H     20.13656699      9.43525837    -14.21653063
  H     13.06105428     12.23258940    -15.20891845
  O     15.25453825      9.06028747    -12.74919957
  H     19.80993185      8.11806854    -14.89602941
  H     16.65316299      8.56849687    -11.72705499
  O     17.79699928     11.92139385    -13.72676698
  H     14.58862330      8.25150154    -16.95152601
  H     17.53365277      7.34034515    -11.43337120
  O     18.67917235      6.76524189    -14.35572274
  H     15.46933633      6.98578911    -17.24702666
  H     13.31496072      9.70410734    -15.59640802
  O     13.28971715      7.29714220    -13.44896087
  H     17.50692790      9.62993974     -9.98388764
  H     13.16037736      8.23823768    -15.13579988
  O     18.46861644      5.57695286    -16.85936757
  H     18.43671597     10.80394566     -9.62066429
  H     19.47931653     12.39747392    -10.69640962
  O     15.81142494      5.23030260    -16.77566156
  H     15.75479589      8.90788073    -13.56816775
  H     20.78076947     12.04329184     -9.93517104
  O     17.41537343      5.58813854    -12.13326562
  H     15.13703428     10.01517970    -12.67227673
  H     18.80497345      9.31925454    -12.14008649
  O     16.74151244      8.67901671    -14.99807696
  H     17.92565422     11.75133377    -14.66874295
  H     19.76572216     10.48437033    -11.78056214
  O     13.42065423     11.40304438    -14.90249104
  H     18.31952678     11.24630436    -13.26930575
  H     16.42533505     11.74928412     -9.87167862
  O     17.47755928      8.29332423    -11.29920208
  H     17.96004918      7.38609615    -14.55141438
  H     15.44671009     12.84008731     -9.37563198
  O     13.29700185      8.79000327    -15.91386845
  H     18.41828842      6.29498287    -13.55706269
  H     18.99557650      8.43775223    -18.12208738
  O     20.00731419     11.66061641    -10.33968745
  H     13.92314379      7.94694171    -13.09750402
  H     20.09467335      8.30470738    -17.04937365
  O     19.40507722      9.97662871    -12.51844016
  H     12.56947266      7.24870931    -12.82535237
  H     16.08295010     11.89623820    -13.18230989
  O     15.89241434     12.51488178    -10.15307416
  H     18.61775345      5.81970539    -15.93499854
  H     15.29454447     12.12767223    -11.86823361
  O     19.72900047      7.88076760    -17.83264572
  H     18.93253626      6.25891110    -17.36307757
  H     18.00873186     10.44937929    -17.03108557
  O     15.20215992     11.83133993    -12.78205172
  H     15.54653576      4.45003912    -17.25531544
  H     19.05217465     10.19862722    -15.89716142
  O     18.29467115     10.74492230    -16.15798272
  H     16.78109618      5.29801841    -16.86007691
  H     17.16239531      9.73323822    -19.37589040
  O     17.40073167      9.45947363    -18.49386146
  H     17.52847261      4.73694911    -11.71928546
  H     16.66617907      8.91599284    -18.16123469
          69
 Energy    -248.59777132835546     
  O     15.52144346      6.07829450    -17.35622910
  H     15.81141399      5.80150249    -18.22096061
  H     14.70224569      6.93659954     -9.67671998
  O     12.98513695      7.02775382    -12.34447149
  H     15.49103134      7.05283211    -17.36785559
  H     14.67926866      9.49109164    -13.00797363
  O     13.00551096      5.59998291    -16.12788089
  H     13.58679964      7.60828612    -12.83916264
  H     15.58170391      8.45634383    -13.75401481
  O     12.47585939     11.52175365    -13.73376901
  H     12.08956057      7.16188169    -12.69341511
  H     17.64594650      9.04768488    -15.13594316
  O     15.41850660      8.75995230    -17.29922925
  H     13.24173924      5.13033925    -15.31969811
  H     18.31846908     10.30153924    -15.71961098
  O     14.40049726      8.49347879     -8.80223788
  H     13.82942751      5.72575436    -16.61581084
  H     10.42255398      8.63200713    -13.12354540
  O     19.20890622      5.68599102    -11.02263448
  H     13.24852015     11.50867542    -13.15687436
  H     10.72195020      7.74065369    -14.35987144
  O     13.20588723      9.67838076    -15.75500012
  H     12.71313225     11.02290341    -14.52763366
  H     11.10575769     10.84663155    -12.89806090
  O     15.21460944      3.70423113    -11.24342702
  H     16.20285632      9.15405859    -16.89115286
  H      9.69307583     10.99455852    -12.28191243
  O     17.69935306      4.07722029    -12.63344410
  H     14.65249368      9.19596788    -16.90837788
  H     14.30848595      4.18169461    -12.85926327
  O     16.41664480      5.41880649    -14.78333751
  H     13.60497513      8.84730169     -9.22089780
  H     13.53641517      5.47803225    -13.17943766
  O     14.83445464      6.29294363    -10.38835134
  H     15.11534840      9.09148897     -9.05133905
  H     11.85741650      6.89582683    -16.16309792
  O     14.66872991      8.73085984    -13.60669434
  H     18.74881236      5.06217147    -11.61082506
  H     10.66640771      7.55661192    -16.89597897
  O     17.64779140      9.64764907    -15.89819548
  H     20.10563885      5.37210789    -10.95136745
  H     12.51720526      8.46909711    -11.12457727
  O     10.61651279      7.72765042    -13.39957762
  H     13.73555879      9.28775564    -15.04212867
  H     11.60253468      9.70403824    -11.06876523
  O     10.42357550     10.38919961    -12.37397088
  H     12.49590460      9.05203588    -15.94444732
  H     17.38868571      7.77930436    -12.85701222
  O     13.97090714      4.71660439    -13.58781582
  H     14.98614488      3.05279744    -10.58489931
  H     17.07602136      6.97639510    -14.15777378
  O     11.25557040      7.66210971    -16.15360607
  H     15.12434292      4.57445487    -10.81952736
  H     13.73161157     10.35935612    -11.30756592
  O     12.36729670      9.29347132    -10.64488838
  H     16.90086350      3.83173240    -12.15035824
  H     15.23917077     10.68048045    -11.19148516
  O     17.28853156      7.85646096    -13.81413005
  H     17.39750505      4.45244620    -13.47030798
  H     17.27875776     10.45227416     -9.56881243
  O     14.47193288     10.78112005    -11.76850017
  H     15.56833784      5.19122178    -14.37788377
  H     16.90071743      9.19105683    -10.37954395
  O     16.55377713     10.02431134    -10.01731425
  H     16.23236337      5.58779013    -15.71612185
  H     18.01628005      6.96905198    -10.93235826
  O     17.27004989      7.58054163    -11.02831711
  H     14.16085766      6.49133976    -11.05360352
  H     16.46253101      7.08175857    -10.84729413
          69
 Energy    -248.59758553691194     
  O     17.29518747     10.14870011    -10.68106546
  H     17.61590131     10.91194049    -10.19015823
  H     14.00545741      9.71501439     -5.62203314
  O     14.34369628      6.12424283     -6.33706037
  H     16.98828858      9.53050220     -9.99521116
  H     16.67969226      5.01633095    -11.84926673
  O     18.05592345     11.85751907     -8.52858192
  H     14.60387475      6.06872122     -7.27161004
  H     16.53491586      3.83799295    -12.83628723
  O     12.96591416      8.59479317     -6.42277128
  H     14.12948704      5.23687600     -6.05962192
  H     15.83068783      5.99856745     -9.46611123
  O     14.76077863      9.89627604    -11.79182647
  H     18.68792779     11.14790180     -8.31045693
  H     14.40521789      6.61051391     -9.63104967
  O     18.61833644      7.98910405    -11.74080561
  H     18.52501367     12.68087916     -8.42437543
  H     16.95954476      6.26837102    -13.68874703
  O     20.72457217      7.92889990     -9.97985865
  H     13.32490000      7.69975805     -6.37073021
  H     16.47313042      7.66152341    -14.13220152
  O     17.38852955      5.81999476    -10.40517945
  H     12.51003639      8.66377113     -7.26980224
  H     14.75780183      9.10724660    -13.39162597
  O     11.77135464      8.79280532     -8.98440207
  H     14.21431305     10.41949278    -11.18547131
  H     14.48266450      9.11624140    -14.91154243
  O     15.39156786     11.14277219     -7.77758061
  H     15.67629971     10.03516466    -11.51554118
  H     15.75134326      7.89714666     -8.68854388
  O     13.38475187     11.06802380     -9.75275367
  H     18.20895381      8.82328866    -11.47136974
  H     15.81879731      9.41704185     -8.27403430
  O     14.69605683     10.27441018     -5.21901476
  H     18.25342012      7.74649717    -12.60403078
  H     20.16376221      9.25736801     -8.69200731
  O     16.28523111      4.74805622    -12.69550309
  H     20.04313228      7.93177928    -10.67303490
  H     19.32836937      9.17361483     -7.40610427
  O     15.02096087      6.22932693     -8.98928382
  H     21.56572811      7.86494764    -10.42545856
  H     15.76623916      8.66947657     -4.89170576
  O     17.26805572      7.14239708    -13.95756215
  H     18.01954174      5.67073817     -9.68493782
  H     15.58717986      7.19175484     -5.28431156
  O     14.80431190      8.56882847    -14.19954247
  H     17.72178848      6.59779650    -10.87271010
  H     13.94712507      8.37826863    -11.07733858
  O     16.32169549      8.67067737     -8.62716372
  H     10.85302514      8.68816004     -9.22207043
  H     13.43340018      6.99922168    -11.56298767
  O     19.74524984      9.80051706     -8.01433504
  H     12.28732786      8.30057409     -9.64446391
  H     18.94775363      6.47174610     -7.73041063
  O     16.19632134      7.80682143     -4.85759728
  H     15.25206692     10.98758208     -6.83384324
  H     19.92007898      6.49662124     -8.91499649
  O     13.45101706      7.59616625    -10.80033684
  H     16.28816726     11.47569347     -7.91387653
  H     17.60076607      8.14898323     -7.44657590
  O     19.28852112      5.92960687     -8.45586799
  H     12.74032173     10.43820257     -9.41116621
  H     17.65960608      7.80809394     -5.95018211
  O     18.20617813      7.86805305     -6.74415148
  H     14.03328421     11.20064325     -9.04710495
  H     14.08481819      6.89006362    -13.59102004
  O     13.80614613      6.13162325    -13.06117201
  H     14.30104409     10.69631104     -4.46043425
  H     14.58755342      5.57276607    -12.96337315
          69
 Energy    -248.59750886149010     
  O     -0.11102415     -3.41147044      0.96373826
  H     -0.89368240     -3.07754030      0.50917390
  H      4.69751839      0.91676241      2.19940916
  O      0.72802889      2.85847091      0.07260190
  H      0.60210060     -3.43947541      0.31428835
  H     -0.65469009     -0.67388894     -2.23542633
  O     -2.20141331     -0.15330295      1.52180382
  H      0.25932984      3.10078628      0.88412556
  H     -1.68941686      0.42586903     -1.90825985
  O      0.47091838     -2.86644296      3.52939322
  H      1.65681085      3.06331871      0.23763551
  H      0.96512419      0.59586788      3.64002423
  O     -2.42494836     -2.28136707     -0.27218645
  H     -2.40654810     -0.92690487      0.98331724
  H      1.18485215      1.82265369      4.54082374
  O      1.70421732      4.94211795      2.99676126
  H     -2.01954404     -0.43933000      2.43035680
  H     -3.82663248      2.58538955      1.51494167
  O      2.66891378      2.84834030      4.74871893
  H      0.64941729     -3.67346412      4.00397983
  H     -2.72143965      1.50781724      1.40599117
  O      5.66102263      0.04286277      0.83175017
  H      0.23024684     -3.11751607      2.61803990
  H      2.24330779     -3.89187620     -1.60926990
  O     -0.51691005      3.33590953      2.54063187
  H     -3.16686365     -2.78567560     -0.59426320
  H      1.74388554     -2.45095188     -1.34217714
  O      2.85620464      0.97571533     -2.87865133
  H     -2.16543216     -1.67105065     -0.98786794
  H      0.59342121      1.11281596      0.39688078
  O      1.97976220     -0.70722584      2.66743899
  H      1.50106022      5.85980735      3.16068844
  H     -0.46771025      0.07079201      0.86757495
  O      3.98354731      1.27174757      2.74416178
  H      0.85569165      4.48854210      2.86321092
  H      3.48872434      2.69587314      1.69273203
  O     -1.59963474     -0.51561082     -2.11462704
  H      2.45861341      3.65963012      4.27074571
  H      2.84609050      4.09938841      1.70179522
  O      0.49457286      1.27574771      4.13700673
  H      3.29568173      2.36775757      4.19184447
  H      4.16481813      2.62737468     -0.32702955
  O     -2.89840163      2.46279305      1.33290716
  H      5.06687669     -0.72629008      0.77102671
  H      4.97597418      1.31964429     -0.40767334
  O      2.03039095     -3.27696262     -0.91222265
  H      6.55214124     -0.29624529      0.83562118
  H     -0.79268097      2.49197487     -1.06814809
  O      0.46149715      0.18328604      0.63097502
  H     -1.40490439      3.14938644      2.21073830
  H     -2.21696030      2.36422680     -0.53260539
  O      3.24812785      3.44119238      1.12283414
  H     -0.24914229      2.58831169      3.09580590
  H      3.22240684     -1.65137548      1.54211435
  O      4.51679500      1.97587808     -0.94582618
  H      3.46863917      1.33925280     -2.21778403
  H      3.30955969     -2.47059537      0.24256925
  O     -1.67186175      2.16848217     -1.30257352
  H      2.83142540      1.61000383     -3.59025742
  H      1.77017029     -0.25502397     -2.25599490
  O      3.84019261     -1.97236734      0.87486008
  H      1.54197694     -1.47654760      3.05552361
  H      0.93353129     -0.52739063     -0.96662017
  O      1.17669319     -0.89165513     -1.83046049
  H      1.46399753     -0.43050004      1.89024945
  H     -0.84462971     -1.56515489      4.00443348
  O     -1.43246956     -0.80062444      4.05074240
  H      3.31781328      0.57237465      2.79325789
  H     -0.87982677     -0.04794022      4.29976596
          69
 Energy    -248.59749236410528     
  O     -2.43771929      4.21445251      4.27707352
  H     -2.30480645      3.81532909      5.14532226
  H      0.40460521      0.10409661      1.92585956
  O     -2.72118939      2.45033058      2.18184364
  H     -1.59211041      4.61814367      4.04741989
  H     -3.15763425     -1.54518149      2.42723064
  O     -1.60466870      3.01563970      6.76187050
  H     -2.74705282      1.57746488      2.59740229
  H     -2.85254066     -2.03561756      1.00392653
  O      2.04404747     -2.51629033      0.11127426
  H     -2.78044989      3.10132607      2.89562542
  H     -0.32061447      0.62046318      5.32329613
  O      0.38747585      0.67261623     -1.65783244
  H     -1.71367676      3.37016054      7.64008616
  H     -1.45681901      1.25065149      6.16310164
  O     -1.72191335     -0.94076392     -0.36671028
  H     -0.69225092      3.21978118      6.48499367
  H      1.53829731     -2.62032307      3.53956423
  O     -2.51261852     -0.05541550      3.33257578
  H      1.82875135     -2.79537111      1.01009175
  H      0.28011219     -3.35701254      2.99209641
  O     -0.67828690      3.14224581     -1.47672116
  H      1.30128375     -2.79490263     -0.44286472
  H     -0.89258109     -2.40030693     -1.07399087
  O      2.76276214      0.05077140     -0.21853454
  H      1.22298928      0.44620490     -1.23166404
  H     -0.57201314     -3.40571382     -2.18965560
  O     -0.55481614     -2.29323521      5.83305756
  H     -0.26294695      0.03630438     -1.34208747
  H      0.76176711      3.99287055      4.94092968
  O     -1.45736008     -3.78342850      3.51528902
  H     -1.17599761     -0.83318092      0.42877581
  H      1.20322409      2.59328965      5.43358226
  O     -0.23024455     -0.62156523      1.90811870
  H     -2.24598791     -0.13127086     -0.46305341
  H      1.07518892      2.10393504      1.66953125
  O     -3.11145129     -2.34242682      1.87812417
  H     -1.70572291     -0.27346208      2.83873077
  H      2.13220391      1.02993681      1.22207800
  O     -1.19393452      0.44471043      5.70307216
  H     -2.21961263      0.12265676      4.23541625
  H      1.13016814     -2.05635370      5.51335083
  O      1.10662369     -2.92732563      2.73217896
  H     -0.24892832      2.27833816     -1.61729142
  H      2.63970794     -2.22242140      5.82494048
  O     -0.27085437     -3.09536564     -1.33900745
  H     -0.64048736      3.60923739     -2.30655585
  H      1.58820935      1.07386044      3.76907049
  O      0.86658490      3.44885137      5.73177533
  H      3.63453268      0.07908753     -0.60350504
  H      1.76302704     -0.00853933      4.87132912
  O      1.65913997      1.39733180      1.98045407
  H      2.54400437     -0.89115489     -0.09066353
  H      0.11784189      4.44321717      2.60237110
  O      2.02892817     -1.86207132      5.18748780
  H     -1.00417500     -2.75129915      5.11304382
  H      0.52113648      5.83976428      3.12300574
  O      1.42028244      0.87696922      4.70139363
  H     -0.93051401     -1.40380837      5.88814045
  H     -3.01744315      1.89269531      0.41608407
  O      0.22017028      4.97941327      3.40536265
  H     -1.81136770     -4.66240650      3.62684140
  H     -2.29877431      2.14904441     -0.91602727
  O     -2.89831320      1.53679567     -0.47530343
  H     -2.06176129     -3.31835784      2.91214454
  H     -1.09369394      2.95518102      1.60044371
  O     -0.24510216      3.29044172      1.27185871
  H      0.24371423     -1.42377049      2.16040402
  H     -0.33294075      3.36677560      0.31358741
          69
 Energy    -248.59747817661332     
  O     16.61881062      6.28133477     -9.89650242
  H     16.42150089      5.47081806     -9.41197505
  H     14.62254988     10.58001101    -14.64166699
  O     11.38224656      9.46437720    -11.78371317
  H     15.79227838      6.77892876     -9.93545657
  H     12.77819936      9.37939809    -14.80123304
  O     12.17323627      3.93608553    -12.31710463
  H     11.57405432      9.28790342    -12.71695985
  H     11.76299785      8.18979549    -14.94504792
  O     13.79423770      6.14203119    -16.34997032
  H     10.87053106      8.70871228    -11.47419508
  H     14.23025404      5.52426589    -13.61886132
  O     10.03327000      7.05819034    -11.04879083
  H     12.23938112      4.58108846    -11.59805249
  H     15.07302400      4.22524539    -13.82278143
  O     16.00609818      3.78626383     -8.64674832
  H     12.88560515      4.11990662    -12.94829439
  H     13.45516927      7.71444877    -13.48533789
  O     13.69479078     10.41295623    -10.81012310
  H     13.96254793      5.49534211    -15.65167422
  H     15.00246960      7.54505284    -13.31728897
  O     16.70636342      3.57745646    -13.31572938
  H     12.84908833      6.33051082    -16.30691852
  H     16.02850517     11.51018955    -12.70670619
  O     15.63147728      8.13430916    -16.47917046
  H     10.76439709      6.55800440    -10.64605077
  H     14.89225109     10.60571777    -12.19022653
  O     13.17141271      3.56437489     -8.72247353
  H      9.28147552      6.95510740    -10.47046948
  H     12.53387645      0.94836324    -11.12251985
  O     11.04615888      6.77297745    -15.90032834
  H     16.60738440      3.37795044     -8.02923372
  H     12.67546659      2.44137739    -11.49473918
  O     14.14136747     10.33715982    -15.44201521
  H     16.02410189      3.24260786     -9.45561210
  H     14.17175621      7.41134065    -11.29591424
  O     12.20095804      8.77312436    -14.31469854
  H     12.83129192     10.10710930    -11.14655027
  H     14.06728618      8.57895962    -10.30142856
  O     14.21952521      4.63596393    -14.01041809
  H     13.50973498     11.04316120    -10.11870053
  H     10.84749531      4.94302403    -13.21433800
  O     14.14232034      7.20060237    -13.04078830
  H     17.05890973      4.43405107    -13.00776936
  H     10.10165277      6.21275910    -12.78005507
  O     15.52176596     10.72873302    -12.91771857
  H     17.38600838      3.17550620    -13.84960493
  H     12.47744519      4.98817194     -9.51810904
  O     13.05919448      1.72710920    -10.95848818
  H     14.97229289      7.41738595    -16.45680447
  H     12.89611880      6.37899735    -10.09234335
  O     14.17669184      7.62424216    -10.34806479
  H     16.07815702      8.06778755    -17.31888598
  H     14.93740566      2.03348470    -11.02067052
  O     10.30197028      5.66614893    -13.54891555
  H     13.09853776      2.82815059     -9.34157573
  H     16.13248839      2.70782583    -11.74944609
  O     12.20483977      5.70316889    -10.11178637
  H     14.11832741      3.68624424     -8.57263705
  H     17.35987601      6.79084016    -12.93571543
  O     15.85391017      2.31624328    -10.91263814
  H     10.74635693      6.33477583    -15.08290238
  H     17.29496042      6.10288134    -11.54390363
  O     17.54489615      5.96742314    -12.47108070
  H     10.30911080      6.76066502    -16.50473871
  H     16.35293895      9.14642114    -13.51893266
  O     16.58482321      8.26698220    -13.84384447
  H     14.67680126      9.66850922    -15.88929547
  H     16.38131670      8.23952764    -14.78925381
          69
 Energy    -248.59732478408375     
  O      0.78355131      4.19653652      0.95022870
  H      1.30037345      4.03342212      0.14334766
  H     -0.64668864     -0.26076313      2.42648661
  O      1.43744653     -0.08155057      0.07978934
  H      1.14316166      5.00845097      1.32537184
  H      4.54531086      4.23023099      1.02572993
  O      5.81991732      5.35936398     -1.51977472
  H      1.53913389      0.57732415      0.78149830
  H      3.88414141      5.62989071      1.16716768
  O      0.78274882      4.47098541     -4.38053205
  H      0.83797770      0.30419431     -0.57329137
  H      4.47680453      4.03277035     -4.12496633
  O      1.12754557      7.08637840     -0.97206272
  H      5.48500387      5.29336799     -0.60735033
  H      5.34428670      4.00667135     -2.84747796
  O      1.51399423      2.03750576     -3.31660439
  H      6.70668964      5.70425565     -1.45968217
  H      0.02845018     -2.66478982      1.50595746
  O      4.17583721      0.09528896     -0.68586112
  H      0.20974848      4.83818749     -3.69862457
  H      0.38801239     -1.30697923      0.86021001
  O      4.07965259      0.91349227     -3.42795530
  H      0.96149844      3.55558066     -4.11730469
  H     -1.73296675      5.85652740     -2.50390798
  O     -2.26609506     -0.59404196     -0.42755230
  H      0.40830535      6.57337115     -1.35649140
  H     -1.16208797      4.70739242     -1.65269307
  O      1.71934943      1.86319434      2.08491455
  H      1.90131831      6.91735350     -1.53040524
  H      3.30384387      6.01506690     -3.33975875
  O     -0.43361101      1.03357760     -1.67342035
  H      2.31298632      1.50230953     -3.39589784
  H      4.22774307      6.07111310     -2.09549451
  O     -0.75909746      0.64178902      2.75086374
  H      0.83220737      1.53239847     -2.85156003
  H      2.35031521      4.98447310     -4.86610090
  O      4.70563820      5.18117896      0.93834183
  H      3.25660056     -0.12051084     -0.47930413
  H      3.33046977      5.60950830     -5.88936785
  O      5.01235308      3.45606563     -3.56591429
  H      4.19163864      0.31206721     -1.62617723
  H      2.07423812      3.16975873     -1.97421544
  O     -0.31699097     -1.79603631      1.31840392
  H      4.47020395      1.80561442     -3.46094079
  H      2.65863137      4.57350549     -1.64767522
  O     -0.91537178      5.43649433     -2.24339482
  H      4.51689090      0.39839174     -4.10119592
  H      4.27476784      1.64771390      0.26185661
  O      3.31927936      6.20927897     -2.39380651
  H     -2.60895083      0.11514589      0.13083689
  H      3.48404649      2.93095414     -0.04483277
  O      3.27786442      5.24943882     -5.00866351
  H     -1.72906997     -1.14615673      0.15476026
  H      1.79192750      6.82531229      0.61818114
  O      2.34198213      3.75249919     -1.25315000
  H      1.27520859      2.68067867      1.81626321
  H      2.11742738      7.30520331      2.05340398
  O      4.02148816      2.50236481      0.63787476
  H      2.63819563      1.99531821      1.81449563
  H     -2.01087296      2.86806349      0.12122038
  O      2.17530674      6.55191496      1.47181304
  H     -0.73524142      1.88151385     -1.32134437
  H     -0.70390752      3.70389882      0.14283328
  O     -1.41239856      3.38126706     -0.43639077
  H     -1.10315781      0.38279986     -1.41823969
  H     -3.57520598      1.78234653      1.85406022
  O     -2.81029184      1.67114420      1.29551777
  H      0.11531776      1.04956438      2.70859360
  H     -2.08980630      1.35223911      1.86871863
          69
 Energy    -248.59720187238514     
  O     10.19485108     11.36683347     -9.28651262
  H     10.15997014     11.68490609    -10.20157986
  H     13.24950962     13.24741237    -10.87898429
  O     11.90335850     10.43652101    -16.96271346
  H      9.31406994     11.47657743     -8.93562139
  H     16.23105762      8.65108146    -12.29175190
  O     11.08569213      7.85590931    -10.92810998
  H     12.06507565     10.39561493    -17.90101781
  H     17.09521901      8.75351063    -11.02925537
  O     13.20207136      9.65653613    -14.58430410
  H     12.10171578     11.34851188    -16.68021613
  H     14.30029788      8.94500186    -11.91645363
  O     13.97034169     11.57060010     -7.58273376
  H     11.35515193      8.36407883    -10.15443643
  H     14.04642069      8.57326978    -13.39637519
  O     12.41145121     12.87819863    -15.88614533
  H     11.74387400      7.15678855    -11.02270541
  H     14.93665624     13.69746048     -9.76963783
  O     10.84421198      9.60465711    -13.02604133
  H     12.80693195      9.75313870    -15.45866295
  H     14.12026767     14.77141366     -9.01007215
  O     14.20437990      7.44775918     -8.80402675
  H     13.63289091     10.50020835    -14.38131649
  H     13.50430848      5.30947156    -11.59542042
  O     14.11225533     10.33396089    -10.81499760
  H     13.84218318     12.36813404     -8.11189736
  H     13.77684377      6.82696303    -11.74648626
  O     12.25430502      9.58742293     -8.91372136
  H     13.28406190     10.94979699     -7.85098932
  H     16.99548828     10.73336977    -12.55530616
  O     16.40760073     13.09625935    -10.48959206
  H     11.64246545     13.12587494    -15.35906548
  H     17.76739606     11.78408187    -13.37789890
  O     13.03304937     12.74512362    -11.67479821
  H     13.14910571     12.76254829    -15.27210987
  H     10.11654484     12.61114082    -12.73645305
  O     17.02989894      9.06589634    -11.93868776
  H     11.68362663      9.57377360    -13.50234707
  H     10.51257990     11.18232180    -12.29443655
  O     14.42320243      8.23867873    -12.57211349
  H     10.86962178      8.93364671    -12.32913810
  H     15.53053637     11.01518475     -8.30719637
  O     14.06659105     13.89133002     -9.37327651
  H     13.50990596      8.09404054     -8.63324655
  H     16.51522988      9.92963232     -8.88161117
  O     13.35655792      6.15507178    -11.18091794
  H     13.88767943      6.89842456     -9.53315151
  H     15.27879839     11.97833840    -13.71478409
  O     16.93934970     11.62966457    -12.92894038
  H     14.89181828     10.52938890    -10.27948882
  H     13.89892481     12.44809600    -13.19085014
  O     10.36826779     12.08555893    -11.96772448
  H     13.76957226     11.17100909    -11.15353504
  H      9.67458837     12.30436256    -14.83420455
  O     16.22748843     10.84599544     -8.95956986
  H     12.87345322      9.83950233     -9.61794957
  H      9.20336757     13.77855592    -14.85300312
  O     14.36204897     12.12373054    -13.97824889
  H     11.49767458     10.19115358     -8.96827934
  H     17.36525015      7.54156910     -8.68294589
  O      9.87425320     13.19883296    -14.50163721
  H     16.52327977     12.34152077     -9.89062404
  H     15.89113749      7.85585086     -9.02582800
  O     16.81099999      8.13208669     -9.18624448
  H     16.59077275     12.74797687    -11.36833914
  H      9.84362523     10.13457212    -14.52861093
  O      9.56628482     10.62193234    -15.31714366
  H     12.07786193     12.60583262    -11.71101508
  H     10.24278585     10.44878826    -15.98358326
          69
 Energy    -248.59686990713669     
  O     -7.70420828     -2.84482799      5.21481739
  H     -8.32435983     -2.13404632      5.43187693
  H     -4.65190790      1.11277247      1.48667802
  O     -9.28102258     -1.48533942      0.67063315
  H     -6.82535143     -2.53149836      5.45458299
  H     -6.85118985     -0.68382329      2.94244142
  O     -8.49392168     -3.43087677      2.69001316
  H     -9.18065008     -2.07503000      1.42707593
  H     -6.81923877      0.28354237      4.17588193
  O     -5.93260642      1.29226877      0.15778199
  H     -9.83525714     -0.74593098      0.94763609
  H     -4.54937701     -1.73101916      4.93530367
  O     -6.01939737      0.78046950      5.75126809
  H     -8.84445233     -4.31709453      2.65600996
  H     -4.42207672     -2.30158956      6.36887632
  O     -5.61748114      5.58264768      1.64456097
  H     -8.24885695     -3.26762756      3.61844218
  H     -1.36564046      2.66879409      0.95179996
  O    -10.75178258      0.87548434      1.32146883
  H     -6.17583491      0.45915676     -0.26226609
  H     -2.74149008      2.26025569      1.52649570
  O     -3.92754148     -1.44521221      3.34618501
  H     -6.73306436      1.59703174      0.61055056
  H     -9.65428442      4.40666834      5.37437596
  O     -4.64925430      3.78901343     -0.14510600
  H     -5.53512201     -0.04474097      5.87936686
  H     -8.58941976      3.78353918      4.44873030
  O     -9.35873300     -0.58677127      5.23704422
  H     -5.43824564      1.44968503      5.36429426
  H    -10.43469217      2.17645248      4.30763863
  O     -6.94406558     -1.20325328     -0.66211024
  H     -5.31638961      4.96803783      0.95109806
  H    -10.55031310      0.64768451      4.45420676
  O     -3.97891615      1.13504329      2.18086166
  H     -5.73005712      6.43271472      1.22734343
  H     -6.29716949     -1.86477099      0.97189097
  O     -7.31472007      0.03786032      3.38258093
  H    -11.56789900      1.11366240      0.89046083
  H     -6.89319821     -2.71692335      2.12120937
  O     -5.00945032     -1.82380765      5.78919094
  H    -10.87266564      1.05600328      2.27181141
  H     -8.75924899      2.24091052      6.33971439
  O     -2.23174724      3.00562542      1.16541147
  H     -3.78649700     -0.56311090      2.98077703
  H     -7.57452672      1.28666433      6.59362991
  O     -9.32456359      3.57305036      5.04601757
  H     -4.61608319     -1.83785001      2.78953847
  H     -4.02334042      5.18350802      2.71171677
  O    -10.88895602      1.40245197      3.95451215
  H     -3.75066850      3.58769442      0.14505987
  H     -2.79340510      4.27973420      2.51754623
  O     -6.15662353     -2.13670708      1.88683109
  H     -5.10631375      2.93907830     -0.19622645
  H     -5.76857788      3.15064745      3.97156128
  O     -8.49225995      1.46528225      6.84677361
  H     -9.13537132      0.05274454      5.93232874
  H     -4.25838630      3.47486367      4.04696303
  O     -3.30083167      4.75500852      3.18757953
  H     -8.74239653     -0.41584720      4.50957271
  H     -9.06940394      1.69500792      1.38545898
  O     -4.91176931      2.78465878      4.22941031
  H     -6.98752250     -1.66702543     -1.49388677
  H     -7.88919895      1.24376669      2.27980935
  O     -8.16669110      1.91867269      1.63641257
  H     -7.82753499     -1.27043956     -0.25458837
  H     -7.62444700      3.30732016      2.60036081
  O     -7.27472882      3.96101558      3.22557544
  H     -4.33381806      1.66942960      2.90596339
  H     -6.77797134      4.61032269      2.71147501
          69
 Energy    -248.59684899708088     
  O     -1.46839300     -0.55636664     -2.52164054
  H     -1.22879258     -1.25569005     -1.88983700
  H     -0.70372020     -4.58042693      1.76135250
  O     -0.15805937      1.12070747      3.27307296
  H     -0.92044957     -0.68347956     -3.29207345
  H     -3.75142624      0.37925342      6.65804835
  O     -3.73859897     -3.67551777      3.21481310
  H     -1.06395109      1.42098246      3.42204585
  H     -3.37063259     -0.86558454      5.82754884
  O     -0.93649531     -3.55358513      3.31804665
  H      0.15358372      1.61527216      2.50019671
  H     -2.91961314      0.96279101      2.78066938
  O     -3.80257903     -3.12252688     -0.30684655
  H     -4.20434055     -2.93996953      2.78898473
  H     -3.17014468      1.07050959      4.32076748
  O     -6.10051682      0.69870885     -1.53128599
  H     -3.77928654     -4.41799293      2.60070369
  H     -2.60210641      2.05036759     -0.79413724
  O     -0.43110322     -0.29666575      5.69632635
  H     -1.90453055     -3.55870429      3.30105676
  H     -1.65733381      0.95977531     -1.42896642
  O     -3.49624007     -5.57261007      1.08698723
  H     -0.67179650     -3.46869497      4.24218151
  H     -6.16967694      1.24331893      1.62614828
  O     -4.24820514      2.63511769     -0.60857576
  H     -3.79891657     -4.02937529      0.01958700
  H     -6.51502694      0.52043395      0.31259866
  O     -0.29642331     -1.31750608      1.84404453
  H     -4.26017660     -2.59704327      0.36633007
  H     -2.45522950      0.53644337      0.60341786
  O     -1.05761125     -2.47242184     -0.58949623
  H     -6.75629879      0.75656932     -2.22118582
  H     -1.86425812     -0.54166799      1.54391323
  O     -0.85137584     -4.97758505      0.89114136
  H     -5.46465701      0.01599878     -1.80905443
  H     -5.60129049     -1.01810908      1.66784015
  O     -3.27334801      0.10154733      5.88071177
  H     -1.35402450     -0.05734551      5.84815578
  H     -4.06402109     -1.04696963      1.61307100
  O     -2.99344621      1.58507150      3.52185383
  H     -0.15142934      0.20814721      4.92221371
  H     -4.18428960     -1.93275909     -1.68694912
  O     -1.74466028      1.60234458     -0.71515037
  H     -3.69999295     -6.49212856      0.94063847
  H     -3.36152021     -0.90193033     -2.47837213
  O     -6.58864184      0.44939432      1.27364941
  H     -2.53093173     -5.47787557      0.99581637
  H     -5.40321363      3.56885022      2.57213268
  O     -2.66963420     -0.04607940      1.34217736
  H     -4.90835356      2.04094383     -0.98810386
  H     -4.34506800      2.45235003      2.69002609
  O     -4.84190806     -1.60838107      1.75830454
  H     -4.51676791      2.77690830      0.30730454
  H     -2.39884955     -2.86955640      5.96064688
  O     -4.26441643     -1.15895669     -2.26039540
  H     -0.07961892     -0.53942885      2.37356666
  H     -3.57439094     -3.05923296      4.97397425
  O     -5.07277577      2.78449529      2.14037743
  H     -0.43823488     -2.06485312      2.44286983
  H      0.11653186     -3.26407329      6.70637530
  O     -3.31018084     -2.60528205      5.78493677
  H     -0.70374849     -2.04293853      0.20278947
  H     -0.35771813     -2.01860572      5.91692995
  O     -0.45997670     -2.98434070      6.00106273
  H     -1.99529164     -2.66205552     -0.43345576
  H     -0.35784888      2.15967836      0.29816421
  O      0.36075663      2.40253970      0.90372538
  H     -0.72750646     -4.26572441      0.25307785
  H      0.80171022      3.14750557      0.50360000
          69
 Energy    -248.59630115071997     
  O     14.26303454      9.33471077    -10.47839268
  H     14.92192202      9.74607484     -9.90560929
  H     18.20043821      4.60389294    -12.72730093
  O     14.08497167     10.36776454    -16.25876341
  H     13.95742145      9.97939024    -11.13053085
  H     12.38879547      6.85539384    -10.85186625
  O     16.23110139     11.29067112    -13.33225414
  H     14.04420894     11.24409722    -15.85479754
  H     13.19447679      7.92735208    -10.09170415
  O     13.59775204      4.59347765    -13.19879028
  H     13.45837889      9.82554824    -15.76660189
  H     18.08591593      8.56086945    -15.19378669
  O     16.96677434      7.45796284     -8.68045622
  H     16.84397706     11.26015793    -12.58324640
  H     19.53243629      8.07663733    -15.42007662
  O     15.80954760      7.55767908    -12.00764599
  H     15.38750206     10.94102703    -13.01592209
  H     15.12077259     12.43110746    -14.25280267
  O     13.51665961     10.78620589    -12.69434878
  H     14.13307970      4.51955768    -13.99638341
  H     14.39197874     13.69730548    -14.75374862
  O     18.49292881      8.32517027    -12.06524102
  H     14.22166462      4.56301069    -12.45962959
  H     13.60731628      8.17488209    -14.45439700
  O     17.83263740     10.88037409    -11.18587804
  H     17.68476959      7.02625737     -9.15783924
  H     12.27448565      7.98464564    -13.72254068
  O     18.03357544      5.14369770    -14.45119710
  H     16.23350146      6.83233557     -8.63665932
  H     10.89311859      6.11058799    -12.69538113
  O     15.34485730      4.84857825    -15.46274894
  H     15.27782023      8.14601462    -11.45736983
  H     12.39665058      5.80616953    -12.87714102
  O     18.16104153      4.42481166    -11.77670651
  H     16.72762779      7.85624054    -11.96610813
  H     14.30397691      5.28340157     -7.85425168
  O     12.77053930      7.06236830     -9.99190077
  H     13.46304148     11.56895198    -13.25200632
  H     13.94234382      6.17685426     -9.06515555
  O     18.76138658      7.94242327    -14.87284370
  H     13.19661934     10.04001354    -13.22512297
  H     15.21197973      4.99653744    -10.25394096
  O     14.29387244     12.75442341    -14.64904795
  H     18.72112601      8.11961397    -12.97949342
  H     15.61765432      5.82853431    -11.48563394
  O     12.77390006      8.62325414    -14.24666047
  H     18.85726440      7.64340124    -11.48476002
  H     18.83123237      5.60168644    -10.75407967
  O     11.75954506      6.50788707    -12.65029487
  H     18.18757162     10.02406130    -11.46576519
  H     19.95579523      6.06742110     -9.79601467
  O     14.67604784      5.71696301     -8.61729778
  H     17.39768692     10.71752095    -10.34066144
  H     15.74288361      8.16745680    -15.02003830
  O     15.48190846      4.91927872    -11.17637533
  H     18.22104119      6.06412602    -14.66470526
  H     15.41696827      7.40724228    -13.70511712
  O     19.14560062      6.34896441    -10.21144046
  H     17.16960013      4.94511028    -14.83161390
  H     16.64358593      9.15465704     -8.74877543
  O     15.22974294      7.43613053    -14.65677770
  H     15.26248696      5.79784803    -15.26110090
  H     16.44999763     10.48003233     -7.97310730
  O     16.40299452     10.09488195     -8.84385850
  H     15.11227969      4.74079752    -16.38180171
  H     15.86303678      9.88662738    -16.00424340
  O     16.67048162      9.65686921    -15.52172771
  H     17.22158963      4.40788925    -11.54991572
  H     16.66577650     10.22769986    -14.73837434
          69
 Energy    -248.59615299692945     
  O      2.57100695      1.04364161     -1.17680138
  H      2.26643569      0.99272174     -2.08874885
  H     -0.02116162     -1.49285280     -2.55362075
  O     -3.93524654      0.87871420     -0.81671606
  H      2.32859841      1.92346696     -0.85380068
  H      1.96485395     -0.36237468      1.51409111
  O      1.45564329      0.89161753     -3.83542503
  H     -3.82940419      1.15557299     -1.74197731
  H      2.42442349     -0.19298322      0.03109388
  O     -3.25513166      1.41325100     -3.41781082
  H     -4.19679620      1.65095063     -0.30276870
  H      0.74407942     -0.26393332      3.34278918
  O     -0.29157023     -1.59797218      3.68917996
  H      1.98233163      0.82917442     -4.62709383
  H      1.90096415      0.66384954      3.79409999
  O     -1.17401747      0.97742376     -0.49769736
  H      0.93732055      0.06751205     -3.77507848
  H      0.87961311     -3.94818541      1.86654148
  O     -2.01820946     -2.76889347      0.84649835
  H     -3.10856459      0.50505362     -3.71284821
  H      0.06831111     -4.94336331      2.72645906
  O     -2.99275760     -1.17136639      2.94625846
  H     -2.38327445      1.82562417     -3.37176166
  H     -0.72848945     -2.00589387     -0.19467367
  O     -2.87295029      1.50521537      2.65965408
  H     -1.23300867     -1.42933768      3.55641613
  H      0.70830385     -1.37622312     -0.20810166
  O     -0.32411094      4.86995045     -1.68061168
  H     -0.12451500     -2.46670988      3.30498422
  H      1.10528152      4.04621602     -0.65374344
  O     -0.64799796      2.41532536     -2.81245014
  H     -2.13622361      0.89741191     -0.54335845
  H      1.09214891      3.16468801      0.60113511
  O     -0.05803011     -1.30077587     -3.50161771
  H     -0.79309901      0.10000680     -0.63346882
  H      0.28829923      1.73757482      2.21470843
  O      2.19820470     -0.84601165      0.71379364
  H     -1.40296264     -3.35723083      1.30225115
  H     -0.56555836      1.82271725      0.90557263
  O      1.31518232      0.47503972      3.06527785
  H     -2.39699753     -2.19437039      1.52638736
  H     -3.49551821      3.66275573      0.69708628
  O      0.02243127     -4.08912766      2.30456753
  H     -2.98694473     -0.20539868      2.82681658
  H     -5.01731738      3.76848875      0.95596496
  O     -0.08110930     -1.54104881     -0.74009025
  H     -3.78239145     -1.38056951      3.43845255
  H     -1.30842543      3.83884536      1.11327511
  O      1.65771910      3.46300835     -0.12023141
  H     -3.46857888      2.04377122      2.12502295
  H     -1.43860086      4.66393774     -0.17956884
  O     -0.28818131      2.31502755      1.69840300
  H     -1.98397178      1.82834957      2.47179334
  H      2.45236104     -2.58717088      0.97472756
  O     -4.31016638      3.14323138      0.82334619
  H     -0.46577804      4.04504438     -2.17696245
  H      2.95560315     -3.93110489      0.42585551
  O     -1.91844156      4.39573127      0.61386605
  H     -0.25229427      5.57065702     -2.32308097
  H     -3.15596569     -2.28495687     -0.62441443
  O      2.40978352     -3.54843519      1.10841940
  H     -0.78942689      1.92853909     -1.98563396
  H     -3.86148290     -0.96698291     -1.03743478
  O     -3.64472928     -1.86111321     -1.33846248
  H      0.08930870      1.98206093     -3.26058951
  H     -3.38244754     -1.91476901     -4.49379070
  O     -2.86038839     -1.38631654     -3.89584493
  H     -0.99096833     -1.35038534     -3.74198485
  H     -3.14257600     -1.62695389     -2.99492709
          69
 Energy    -248.59602539712600     
  O      9.92102649     13.09293045    -10.95537127
  H     10.14201805     12.84111546    -11.86113336
  H     13.59546534     13.54637222    -12.81126087
  O     12.64961980      7.37601168    -15.68993776
  H     10.65258085     13.63789169    -10.63116192
  H     15.49231331      8.76629804    -10.81961904
  O     10.81213829      9.42821584    -11.90809023
  H     12.80742274      6.73871920    -16.38084981
  H     16.34217869      9.35294293     -9.68399775
  O     14.20048871      8.14504854    -13.45428897
  H     12.89371129      8.24900803    -16.04894307
  H     13.54300129      9.56552171    -10.88178609
  O     13.16579671     13.31731604     -7.58162454
  H     10.28305602      9.73797248    -11.16189120
  H     13.65610840      8.33537569    -11.85091366
  O     13.24770745      9.92257745    -16.42550717
  H     11.62957937      9.06393393    -11.54858745
  H     15.07627492     14.50004465    -11.65161232
  O     13.45806976      8.79489216     -8.15308373
  H     13.70393695      7.74090943    -14.17481918
  H     14.57272442     15.85698265    -12.20242709
  O     13.62515619     11.31629942    -10.64560975
  H     14.47888833      9.01446893    -13.77286012
  H     16.88584211     10.34295290    -11.85114177
  O     11.86480663     11.10523532     -8.52231562
  H     12.86773884     13.65233761     -6.73974356
  H     18.06627801     10.81467671    -12.72744775
  O     16.37314296     13.43666703    -11.20464566
  H     12.61944966     12.53840915     -7.78513345
  H     10.65563186     11.67086668    -14.26326986
  O      9.41242235     10.73288812     -9.80176445
  H     12.42337313     10.40688001    -16.29588965
  H     10.84463610     11.03067986    -12.86384283
  O     13.41504639     12.64043132    -13.08815342
  H     13.89236858     10.28495464    -15.80308526
  H     14.80399725     12.74791621     -8.28328674
  O     16.33226767      9.19798762    -10.63617130
  H     12.83053225      9.52656790     -8.08892864
  H     15.74297479     11.50504237     -8.37913993
  O     13.40616752      8.60593832    -10.95187210
  H     13.39706303      8.49081489     -9.06940644
  H     15.79662883     10.80708850    -13.83373179
  O     14.27793646     15.00639069    -11.88893592
  H     14.37196022     11.66555949    -10.14436043
  H     14.39586137     11.43142206    -13.93421851
  O     17.15288753     10.99750126    -12.52002868
  H     13.56440427     11.80999651    -11.47195906
  H     10.38599366     10.01297172    -15.49376926
  O     10.80557843     11.87718845    -13.33231957
  H     12.39972659     11.21553796     -9.32534704
  H      9.90892728     10.97329897    -16.61200489
  O     15.51293277     12.34341655     -8.80051672
  H     10.96016713     10.94937985     -8.81807134
  H     16.42893945      9.32743161     -7.12176840
  O     14.95763829     10.73330948    -14.30347022
  H     16.22984038     13.12854760    -10.29876903
  H     15.07870558      9.36532125     -7.87929619
  O     10.55933010     10.87199742    -15.92225016
  H     16.66218523     12.66701271    -11.70874191
  H     12.53104599     14.22883446     -9.21374942
  O     15.97628540      9.74335797     -7.85029911
  H      9.52283763     11.62326087    -10.18810621
  H     12.86940218     14.74931756    -10.62546340
  O     12.13614019     14.51752989    -10.04304638
  H      8.49755129     10.64981607     -9.54880166
  H     10.42693597      8.69625727    -13.62978255
  O     10.30261845      8.53588745    -14.57392553
  H     12.46197001     12.51959929    -13.20372903
  H     11.05046732      8.00143357    -14.87114420
          69
 Ord_Energy   -248.595779    
 O   -7.55929136      -1.50477946       4.48034334    
 H   -8.18267822      -1.72738886       3.77602363    
 H   -6.79561281      -2.08423185       4.36109686    
 O   -8.76437473      -4.38545418       6.24721575    
 H   -9.39783287      -4.26900864       5.52793360    
 H   -8.74527073      -3.53970671       6.70675898    
 O   -10.9166956       1.14371443       5.38180637    
 H   -10.4397640       1.29159141       4.54823971    
 H   -10.8941107      0.196278945       5.58007622    
 O   -4.58757734     -0.305548608       6.19155216    
 H   -4.95446920     -0.914105177       6.84376431    
 H   -5.09688282      0.512154222       6.24409866    
 O   -8.29293346      -1.55420864       7.12216568    
 H   -7.47362328      -1.75643516       7.58990240    
 H   -8.06103039      -1.51190090       6.17816067    
 O   -9.57478809       1.51559353       3.05226350    
 H   -9.82421207      0.964165628       2.30256319    
 H   -8.61602783       1.44544458       3.14935136    
 O   -10.5952854      -3.53211832       4.21180773    
 H   -11.5235653      -3.55920935       3.94838071    
 H   -10.0879517      -3.20781136       3.45483351    
 O   -6.46232033      -2.59563565       1.14454567    
 H   -6.15716887      -2.90016866      0.294188201    
 H   -6.03026867      -1.73731935       1.30998528    
 O   -5.98325682      -4.30524111       6.25238466    
 H   -5.71415997      -4.08864307       5.35078192    
 H   -6.92918253      -4.50894499       6.21041679    
 O   -12.8167133     -0.694481134       2.37302256    
 H   -13.1033602      -6.88628480E-02   3.04958129    
 H   -13.0272284      -1.57347119       2.70967960    
 O   -6.15820503       2.07587481       6.15585661    
 H   -5.93376446       2.93845487       6.49390697    
 H   -7.04157162       1.85857666       6.50452614    
 O   -13.6800575      -1.55078912       5.79478741    
 H   -13.8100252     -0.654358327       5.46095085    
 H   -12.7737513      -1.56744528       6.13390923    
 O   -5.41785622      -3.20774555       3.73683739    
 H   -5.73796749      -3.19255185       2.82727194    
 H   -4.66397619      -2.60292697       3.77826262    
 O   -5.71880531      -2.24504066       7.96512365    
 H   -5.74841547      -3.02666306       7.38180923    
 H   -5.34447861      -2.53249717       8.79330635    
 O   -8.59216213       1.29764712       7.03880978    
 H   -9.41145325       1.40892577       6.54053354    
 H   -8.51617622      0.353274316       7.22092438    
 O   -9.02950764      -2.31196928       2.26278806    
 H   -8.20476246      -2.47662711       1.78788710    
 H   -9.51329517      -1.62381732       1.78629959    
 O   -13.5230446       1.02409196       4.55521774    
 H   -12.6221161       1.18956482       4.88272953    
 H   -13.9909620       1.85300624       4.60917711    
 O   -5.20853424     -0.296687156       1.83646858    
 H   -5.77978134      0.308370531       2.32976508    
 H   -4.50005388     -0.529111922       2.44988656    
 O   -6.87125397       1.04977572       3.62696362    
 H   -6.56377745       1.55245125       4.39016581    
 H   -7.09790134      0.170205653       3.96689224    
 O   -10.8963213      -1.54064786       6.14815283    
 H   -10.7722511      -2.21444225       5.46428347    
 H   -10.1018944      -1.55432153       6.69477844    
 O   -13.3502102      -3.19739938       3.66107988    
 H   -13.5587902      -2.67821026       4.45893097    
 H   -14.0635853      -3.81856012       3.54184675    
 O   -10.5095901     -0.298065543       1.04961348    
 H   -11.3690147     -0.428023517       1.49176919    
 H   -10.6969938      -4.41200286E-02  0.150193483    
 O   -3.46774840      -1.20258713       3.91057420    
 H   -2.52045155      -1.21350729       4.01514482    
 H   -3.83757329     -0.840486705       4.73675346    
          69
 Energy    -248.59576005530141     
  O     -4.74205346     -2.55803901     -5.47882686
  H     -4.48811744     -3.47135107     -5.29930259
  H     -4.46713275     -2.01824268     -1.87704367
  O     -0.67222713     -1.68338117      1.65149676
  H     -4.05421224     -2.20096534     -6.05638906
  H      4.03492255     -2.25195543      0.80210135
  O     -3.03116931      0.53765655     -2.92030992
  H     -1.10186544     -1.99172377      2.44510056
  H      2.72075413     -1.44275837      0.66990640
  O     -2.00229377     -0.49871764     -0.53867094
  H     -0.25078576     -2.45964845      1.24194221
  H      1.62663959     -3.37798909      0.50575471
  O      1.05498213      0.76429963     -5.91072591
  H     -3.86245317      0.06309424     -3.05867819
  H      0.59931045     -4.09850191     -0.38690193
  O     -1.46278917     -4.32032977     -6.51129864
  H     -2.75224901      0.36291460     -2.01219419
  H      1.68279155     -1.74223001     -3.91621230
  O      0.57670284     -4.24246038     -2.32353715
  H     -1.58390761     -0.80109156      0.27615303
  H      1.16578118     -2.68620594     -5.02858524
  O     -5.31074846     -1.05478552     -3.30455475
  H     -2.66607364     -1.17494937     -0.74905858
  H     -1.97406199     -3.02394884     -3.33616353
  O      0.47598226      0.34982298     -1.53419099
  H      0.27239151      0.76445705     -6.47429070
  H     -1.25919908     -4.12309267     -2.53703724
  O     -1.49603835     -1.50899077     -4.12765204
  H      1.20649522     -0.15342084     -5.64376079
  H      0.03195349     -4.49262210     -5.65233512
  O      2.02444464     -1.82984284     -2.15907143
  H     -2.21761978     -4.69860893     -6.04386619
  H      1.44482457     -5.11773491     -5.65073186
  O     -3.85710343     -2.39214139     -1.22946544
  H     -1.73694967     -3.43383938     -6.78135338
  H      1.30733041      0.24004806      0.17634406
  O      3.18786228     -2.24223958      0.36580578
  H      1.03358712     -3.39265837     -2.23792068
  H      0.84279530     -0.55220729      1.40606373
  O      0.72632544     -3.72803693      0.49438127
  H      0.70415041     -4.50686492     -3.24348618
  H     -3.10105425     -4.73724333     -4.05245916
  O      1.24185800     -1.75758434     -4.77818554
  H     -5.14107181     -1.58712716     -4.10188898
  H     -3.99216561     -5.91599199     -4.51284040
  O     -2.12593694     -3.86159511     -2.86967807
  H     -6.23174725     -0.80942756     -3.32922139
  H     -2.09829534     -1.64524467     -5.79889706
  O      0.86990550     -4.53770908     -5.15802807
  H      0.44751114      1.03009905     -2.21778093
  H     -2.13753565     -0.80434388     -7.08160178
  O      1.61601701     -0.12161617      1.01788823
  H     -0.42668522      0.10877072     -1.28525232
  H     -1.74346016      1.43581258     -6.41497685
  O     -3.61026495     -5.09172262     -4.80233260
  H     -0.54461288     -1.41774172     -4.26198566
  H     -1.65727687      1.58491331     -7.95094112
  O     -2.38630302     -1.66459355     -6.72572151
  H     -1.85711540     -0.71192761     -3.72223105
  H     -1.11470973      2.36883967     -4.43628925
  O     -1.50053362      0.97228494     -7.23694242
  H      1.47185573     -1.06649190     -1.92977248
  H     -2.47632799      1.71653844     -4.18992891
  O     -1.96839821      2.20306006     -4.85391495
  H      2.58719452     -2.00286192     -1.39602372
  H      0.85980654      1.70676744     -4.46412733
  O      0.63366416      2.20257515     -3.65605400
  H     -3.31290376     -3.02908736     -1.71229046
  H      1.21893985      2.95528298     -3.62351319
          69
 Energy    -248.59568285150004     
  O     -4.79095898      3.81597104      3.03854782
  H     -5.60413163      3.59196791      3.48429182
  H      2.94387685      1.90863715      2.66111382
  O     -3.39058536     -1.84253217     -0.30465188
  H     -4.39437571      2.97843506      2.74071755
  H     -1.35507410     -0.31379973     -2.43762077
  O     -1.97935496      5.46029812     -0.51575582
  H     -3.90092607     -1.31071561     -0.92596150
  H     -1.55178907      1.22170697     -2.55319297
  O     -3.96062681      2.14998157     -0.73767103
  H     -2.52684169     -1.95599859     -0.72158301
  H     -1.03067083      1.49797222      4.90745181
  O      1.47449046     -0.95447503      3.43586475
  H     -2.88682674      5.26234875     -0.22126281
  H     -0.83995132      2.53484646      3.80004575
  O      1.90020322      4.90337456      2.68958831
  H     -2.03964044      6.21057008     -1.10222630
  H     -1.38826357      5.46092500      2.76317958
  O     -0.96593045      2.71407280      2.02637568
  H     -4.28185138      1.41718588     -1.27624475
  H     -1.20235080      5.62343395      1.19876080
  O     -1.10415907     -0.30427405      4.57361688
  H     -3.04608815      2.31972700     -1.00651067
  H     -3.75608616      1.76025150      0.99344984
  O     -4.45304388     -0.08394801     -2.33701402
  H      1.94952785     -0.10434847      3.46674461
  H     -3.19914808      0.76941721      2.06047475
  O     -2.36142252     -0.80668588      2.03653277
  H      2.05110241     -1.60594917      3.82619020
  H     -1.98393633      4.09335895      4.55374224
  O      0.26237985     -0.73597594      0.93004907
  H      1.02143262      5.22693367      2.44811137
  H     -3.26681217      4.58185240      3.85078377
  O      2.73060125      1.43036236      3.47071737
  H      1.81970322      4.53314630      3.57705420
  H     -0.54023881      2.48077621     -0.95821172
  O     -1.84107578      0.37369986     -2.91152745
  H     -1.88680317      2.42978950      1.95927562
  H     -1.42789311      3.72386586     -1.21791406
  O     -0.88718716      2.44370811      4.76399678
  H     -0.93168290      3.68016123      1.99904737
  H      1.77211254      3.73636309      6.03980305
  O     -0.74494367      5.48783527      2.03685377
  H     -0.21997710     -0.56842905      4.29054796
  H      0.71088412      3.10448036      5.10962111
  O     -3.54473738      1.66346703      1.93343893
  H     -1.68821298     -0.56778797      3.85182024
  H     -4.46187965      3.83575823     -0.11176374
  O     -2.39114331      4.86560867      4.14260214
  H     -4.98173106     -0.28704339     -3.10364941
  H     -4.63972068      4.54491940      1.24929910
  O     -1.31434233      2.79363808     -1.44731401
  H     -3.54005177      0.05431852     -2.65045963
  H      1.63367522      2.25184383      0.36488560
  O      1.61876511      3.45163830      5.14274493
  H     -2.85711976     -1.24832446      1.33128456
  H      0.17854615      2.14592331      0.89407056
  O     -4.43381290      4.70140942      0.32047832
  H     -1.45797230     -0.72809890      1.70274879
  H     -0.18830541     -2.50187754     -1.71261389
  O      0.77156020      1.86275128      0.17587447
  H      0.73234389     -0.89998865      1.75727479
  H     -0.31851800     -1.47272365     -0.56795271
  O     -0.72411834     -1.77857215     -1.39652530
  H      0.50614942      0.15212336      0.63023150
  H      3.92827042      3.39698134      0.79288193
  O      3.10546935      3.06303568      1.13888596
  H      2.42875255      2.09483006      4.10247313
  H      2.69857535      3.78834049      1.64881323
          69
 Energy    -248.59561998303047     
  O     19.37221336     10.38032907     -7.33205897
  H     19.67555292     10.97792238     -6.65426803
  H     20.80573832     10.66199137    -10.30905288
  O     17.85466495      5.21044093    -10.07160942
  H     20.01785680     10.42551157     -8.06139976
  H     16.25133787     10.31672757    -12.46923102
  O     17.38745624      5.38249611    -13.89186512
  H     17.11920273      4.97488367    -10.64766125
  H     15.08081079     10.23330798    -13.48141397
  O     17.87259933      8.05281299    -13.27917320
  H     17.98395791      6.16421175    -10.19630499
  H     19.34884716      5.36576991    -13.56633748
  O     15.63774670      5.04749464    -11.80210930
  H     17.11915477      4.88848717    -14.66309721
  H     20.53004341      6.35184832    -13.46040362
  O     20.60495244      8.36605609    -12.84050160
  H     16.75823066      5.16021335    -13.18578998
  H     13.18177877      6.83089953    -10.63643391
  O     14.62930817      4.81388637     -7.56106147
  H     17.08504659      8.60722375    -13.33944036
  H     12.84030955      5.40237601    -10.17891101
  O     20.83886616      7.55644564    -10.02067186
  H     17.64156358      7.16420836    -13.58118544
  H     16.04557880      7.44197737     -8.14203156
  O     18.17678953      7.92630877    -10.50618855
  H     15.04997227      4.49282338    -11.27366526
  H     14.57391331      7.93471001     -8.07523375
  O     19.50076028      7.51925793     -7.29157226
  H     15.37249163      5.96432488    -11.63146866
  H     15.02489832      8.36943183    -11.74208935
  O     17.19999295     10.14477057     -9.07580583
  H     20.76470669      8.01683443    -11.95393416
  H     15.10793021      7.84000759    -10.27447398
  O     21.03552278     10.28183723     -9.45367359
  H     19.65886497      8.26592657    -13.03181055
  H     20.46161950     10.14042719    -12.46060184
  O     15.64347525      9.70350982    -12.92348573
  H     14.02929088      5.55109146     -7.39588222
  H     20.78133776     11.63700924    -12.65687253
  O     20.29408601      5.42172031    -13.38514697
  H     15.51909909      5.15654027     -7.40322010
  H     17.94048462      6.56416603     -7.30405297
  O     12.52227585      6.31339564    -10.15442414
  H     20.94992014      6.60482431    -10.16910142
  H     17.37450754      5.62274133     -8.38221593
  O     15.43846203      8.12823005     -8.45668369
  H     19.89101242      7.73838355    -10.12828456
  H     12.15761207      7.42264986     -7.13509955
  O     14.81393030      7.62278053    -11.17036491
  H     18.00028141      8.03980646    -11.44827057
  H     12.67198715      6.88103976     -8.49223971
  O     20.27318278     11.03069181    -12.12243106
  H     17.85306948      8.70556766    -10.03929744
  H     17.33947787     10.98112404    -10.68041911
  O     17.13678188      6.09694930     -7.57167516
  H     20.12225041      7.37544646     -8.01122586
  H     18.38568061     11.20513636    -11.80220329
  O     12.94551535      7.15091142     -7.59726083
  H     19.45712543      8.47651335     -7.17579685
  H     20.61831373      4.94835329    -11.60591141
  O     17.43973530     11.20558480    -11.61714334
  H     17.86229037     10.27396479     -8.38463988
  H     19.71504629      4.80420666    -10.37112640
  O     20.63606546      4.91728215    -10.63876548
  H     16.50607115      9.56533350     -8.73030204
  H     14.21941840      4.09859625     -9.10296893
  O     13.92394500      3.79811112     -9.98148183
  H     21.17532717      9.33747703     -9.61278057
  H     13.59220862      2.91130485     -9.86912449
          69
 Energy    -248.59548293844955     
  O     14.85178605      9.92051071    -10.52376823
  H     14.80344627     10.46717815    -11.32040343
  H     12.30162626      8.11422295    -10.52243498
  O     13.45531441     10.89565138    -16.34809150
  H     15.66683499     10.13662443    -10.05415342
  H     18.16355803      7.13301268    -15.29407003
  O     17.27383179     10.17337340    -13.78927437
  H     14.19340835     10.54455714    -16.86197421
  H     19.36134260      7.01381747    -14.34157067
  O     12.78468055      5.57389025    -12.92815433
  H     13.21235997     10.21580127    -15.70633678
  H     13.95884778     13.83087298    -15.12497508
  O     16.90361383      7.57614752     -8.49152092
  H     16.41369859     10.45568518    -13.45136871
  H     14.01777142     12.33419614    -15.52234668
  O     16.96480473     12.00725181    -15.91787064
  H     17.80534677      9.88831230    -13.03290273
  H     13.66866974      8.31235948    -14.37472783
  O     15.46842617      7.50657792    -11.84588557
  H     13.41934168      5.84097308    -13.60370941
  H     12.45567727      8.77537461    -13.53867105
  O     14.71306759     11.03985450    -13.01961582
  H     13.30708067      5.25101403    -12.18013307
  H     16.16104820     10.34336693    -18.55437581
  O     18.62033348      9.27776753    -11.56125952
  H     17.32630261      7.13529681     -9.24124906
  H     16.35056550     10.87791803    -17.11281431
  O     16.81313317      4.73922993    -13.95064834
  H     16.03433252      7.17283873     -8.38755522
  H     10.51663512      7.72328000    -12.28310895
  O     17.02466290      3.94584667    -11.39327073
  H     17.26345086     11.47094726    -15.17043755
  H     11.86169150      6.98098512    -12.46835658
  O     12.81942053      8.23722104     -9.71921695
  H     16.21169100     12.51696837    -15.59408066
  H     13.69103138      7.07441154     -8.78194269
  O     18.75558812      6.49494971    -14.86768363
  H     15.02867129      6.76034796    -11.41458293
  H     13.85071875      6.20681443     -7.50929577
  O     14.44800813     13.02501382    -14.98525188
  H     15.23869229      8.31279674    -11.36866227
  H     15.35578668      4.61096932    -10.88217887
  O     13.10562615      9.07447203    -14.18675703
  H     14.61881205     11.83613651    -13.55593682
  H     14.44166794      5.37689287     -9.86445039
  O     15.92134930     10.18336705    -17.64542928
  H     14.13496623     10.36872648    -13.41129285
  H     17.12914902      6.97909567    -11.35371799
  O     11.46252222      7.83854910    -12.23452654
  H     18.27448818      9.69719878    -10.76380767
  H     17.84229007      5.65525720    -11.03796828
  O     14.26370282      6.41899629     -8.34211433
  H     18.60568208      8.33039838    -11.37427567
  H     15.13257640      7.12642934    -13.51582692
  O     14.52181461      5.08905921    -10.78315599
  H     16.04826247      5.26321443    -14.20607434
  H     15.51545889      7.29833189    -15.01140802
  O     17.92875950      6.61005489    -10.94501349
  H     17.57979987      5.24241175    -14.26371648
  H     17.63138510     10.68897428     -8.44847930
  O     14.87442969      6.87794308    -14.42072859
  H     16.95583013      4.15681529    -12.34366717
  H     17.17146325      9.25865204     -8.82647476
  O     17.28790593     10.16503894     -9.16684171
  H     17.39258352      3.06896716    -11.33120538
  H     16.53006685      8.82445083    -16.51572870
  O     16.81154108      8.30885536    -15.75160473
  H     13.45333060      8.94262656     -9.91601841
  H     16.99813054      8.94333811    -15.04085491
          69
 Energy    -248.59546032653981     
  O      0.52757244     -0.30105593      2.91221331
  H      0.73107887      0.55075371      3.31767142
  H     -2.41977821      3.34020712      0.30598218
  O     -2.88601165     -0.15333041     -3.47260531
  H      1.01407839     -0.37346528      2.07585548
  H      0.51910862      2.97260023      2.20144529
  O     -4.47943789     -0.09559864     -1.21488256
  H     -2.07635909      0.28628813     -3.18302187
  H     -0.45353327      3.64339723      1.19307523
  O     -2.41453683     -2.92787540     -2.79208136
  H     -2.70343722     -1.09958633     -3.41664493
  H     -3.32562752      1.17677224     -0.59811845
  O     -0.21217174     -1.85657772     -1.29117478
  H     -4.08241161     -0.01876092     -2.09497299
  H     -1.84818060      1.47581906     -0.96171015
  O     -3.46695901      3.93030213      3.29759084
  H     -4.29690080     -0.99968463     -0.92691186
  H     -1.10948168      0.21569997      2.19263891
  O     -3.57055971     -2.42251150      3.87355409
  H     -2.59162678     -3.70980518     -3.30975592
  H     -2.13493222      0.82733189      1.16505608
  O      0.73109389      2.28671520      3.94336222
  H     -3.01184165     -2.96188809     -2.02711116
  H     -3.04414777     -2.70589061      0.07465545
  O     -0.58002630      0.81373744     -2.04831615
  H     -0.77218005     -2.29764582     -1.94015796
  H     -4.55634734     -2.85131159      0.25743745
  O     -5.61070003      2.01749677      3.12146862
  H     -0.62358487     -2.04843122     -0.43446137
  H      1.76513672      0.36659549     -0.00259121
  O     -3.60016243      0.32165239      4.17321277
  H     -3.08079548      4.07288506      2.42511833
  H      1.22410370     -1.05836013     -0.21208282
  O     -2.21812032      4.18350544      0.74699034
  H     -4.22332733      3.34441947      3.16827584
  H     -2.31144356      3.05566250      4.38405439
  O      0.41518612      3.23328816      1.27877216
  H     -2.62587271     -2.60621043      3.87007656
  H     -2.32259955      1.60366433      4.86071359
  O     -2.56698637      1.72768194     -0.36452010
  H     -3.65127852     -1.49248947      4.13434157
  H      2.34288043      2.60996836     -1.11239284
  O     -2.03100428      0.21167048      1.90017119
  H      1.31518771      2.69511603      4.57615746
  H      1.20216457      2.52110670     -0.06839891
  O     -3.87600425     -2.76331690     -0.42142886
  H     -0.16944305      2.34158783      4.31528238
  H     -0.06084578     -3.22957636      4.15976592
  O      1.67115450     -0.49273030      0.42785257
  H     -0.42881456     -0.10707212     -1.78946933
  H     -0.20449957     -1.85355630      3.47493989
  O     -1.77755804      2.39849720      4.85573595
  H      0.20303505      1.30622267     -1.77210774
  H     -1.87255210     -1.44769335      1.28620952
  O      1.61419235      2.06643984     -0.82603577
  H     -6.48220137      2.25697210      3.42653978
  H     -1.24001986     -2.73679114      1.83071526
  O     -0.65289443     -2.70283787      3.62910678
  H     -5.73696705      1.37810280      2.39836631
  H     -4.76047870     -2.60940591      2.59917739
  O     -1.60593560     -2.34532010      1.03046663
  H     -4.35611556      0.88781440      3.97665505
  H     -6.15550445     -3.17585117      2.25646673
  O     -5.44313552     -2.64731495      1.90571011
  H     -3.07411291      0.29701684      3.35710333
  H     -5.79484158     -0.80097779      1.49282758
  O     -5.90176726      0.11544494      1.21125862
  H     -2.44064435      4.87670208      0.13020510
  H     -5.54904992      0.16065890      0.31397481
          69
 Energy    -248.59501101950320     
  O     17.45208854     10.66490673    -18.03144033
  H     17.76048645      9.97341041    -18.62966570
  H     17.64184873      7.14001767    -11.69508778
  O     15.12523389      6.06372752    -13.42177418
  H     17.26226677     10.21016484    -17.19352666
  H     19.71433821      8.85579502    -17.74428213
  O     17.22946147     13.29485898    -12.05769423
  H     14.62712047      5.25699743    -13.52633267
  H     20.17760737     10.16825975    -17.06797542
  O     20.76659115      8.14539137    -14.64706230
  H     15.60452181      6.20548310    -14.25580296
  H     16.08492180      9.52839775    -15.35296572
  O     15.99576858      7.33840537    -18.27181620
  H     17.65377398     13.09800217    -12.90260797
  H     17.60247918      9.47794798    -14.97022977
  O     14.36058343     11.16445749    -11.17718460
  H     16.30883834     13.49807165    -12.26473398
  H     15.81761094     11.50412649    -18.09195261
  O     14.67741866      8.70040098    -12.55254620
  H     21.70382281      8.05372131    -14.49680067
  H     14.98445828     12.20191019    -17.00591871
  O     18.15676979     12.35595813    -14.56559191
  H     20.65770905      8.48052103    -15.55493467
  H     16.36417162      8.91201812    -11.87843262
  O     18.98773872      5.89222766    -14.44392016
  H     16.15000271      6.87338927    -17.43740995
  H     17.25302911      9.76551113    -10.93508005
  O     14.34080634      9.91860160    -14.98343854
  H     15.27835981      7.96037489    -18.10481956
  H     14.18116523     10.18428564    -17.84793266
  O     16.65068458      6.55746637    -15.66803144
  H     14.32460061     10.27725145    -11.55639217
  H     13.04075304      9.18820447    -18.16310581
  O     17.66384823      6.22661244    -12.00737559
  H     15.18318280     11.20602852    -10.67341654
  H     17.34277506     11.74229012     -9.28110952
  O     20.33337300      9.21754604    -17.09911621
  H     14.48267392      9.13645364    -13.39582812
  H     17.17761606     12.09623730    -10.77883993
  O     16.96784197      9.31451908    -15.68040188
  H     14.71223263      7.75516001    -12.74556426
  H     19.50936210      9.25048160    -13.87227193
  O     14.91637639     11.78187422    -17.87309228
  H     18.40820493     11.50766353    -14.16823998
  H     18.32091428      9.49661432    -12.87295738
  O     17.26178782      9.00248695    -11.52612716
  H     18.69458002     12.43347137    -15.36124423
  H     14.32126309     12.60208808    -12.16642302
  O     13.86572920      9.27600841    -17.69174025
  H     19.65261356      6.58524994    -14.52020135
  H     13.75322155     14.02025677    -12.41486206
  O     17.01349727     11.40709112    -10.11052242
  H     18.64721218      5.94502083    -13.53797636
  H     16.33255786     12.43718028    -14.99712071
  O     18.77232642      9.83589065    -13.65854081
  H     14.04108542      9.63756505    -15.85728646
  H     14.99012755     12.90168312    -14.37237645
  O     14.43085761     13.41199490    -12.69686452
  H     14.59579380     10.85138427    -15.04106014
  H     19.92623065     12.70546222    -17.63891595
  O     15.37907803     12.48355828    -15.15184864
  H     16.76989603      7.51752415    -15.71043795
  H     18.77927596     11.68077296    -17.47113947
  O     19.56053170     12.06345276    -17.03491447
  H     17.49103792      6.20184509    -15.33841211
  H     18.67175940      7.85189862    -19.90746085
  O     18.40572909      8.30384542    -19.11138032
  H     16.77888259      6.05531104    -12.35072811
  H     17.56233253      7.90311228    -18.83402039
          69
 Energy    -248.59497634535012     
  O     12.18588034     11.25232940    -15.00858477
  H     12.89762201     11.90204720    -14.96890607
  H     17.09169196      5.64179022    -15.14680654
  O     15.31766105      6.77705959    -12.78576142
  H     11.92501413     11.06173260    -14.09885413
  H     15.37502301     10.87995113    -17.45328569
  O     17.97647133     10.13298224    -12.68958156
  H     16.25557804      6.92697927    -12.60075811
  H     16.49968497     10.95589248    -16.40889944
  O     17.35344056      9.58681911    -15.41485750
  H     14.81374800      7.01997376    -11.99923924
  H     14.16254395      8.97597408    -14.94605836
  O     12.35242466      6.43455030    -15.28265621
  H     17.14353700     10.62034688    -12.76456496
  H     14.94198966      8.23435800    -13.80170534
  O     15.80009576     10.21914022     -8.93860470
  H     18.24548019     10.23504992    -11.76773793
  H     11.48381656      9.42686469    -12.55795623
  O     13.81073714      7.70687802    -10.69013491
  H     17.86504872      9.83564744    -14.63815024
  H     10.50231959     10.53125571    -12.10194793
  O     15.43899262     11.32996429    -12.96145812
  H     16.47240834      9.36304688    -15.06959120
  H     18.09358105      7.23946671    -10.72876867
  O     16.37114975      7.63370438    -17.16292649
  H     12.43974302      7.31539524    -15.68760517
  H     18.27335271      8.40506167     -9.74744880
  O     15.59917304      7.36997738     -8.56597309
  H     11.58144959      6.02990434    -15.67351354
  H     12.41992277      7.50134115    -11.99926678
  O     15.15113025      5.79055094    -15.32319472
  H     15.66798625      9.30149090     -8.67027425
  H     12.03267900      7.18483041    -13.47244955
  O     18.00877719      5.92342222    -15.02647802
  H     15.05180770     10.43878411     -9.50831087
  H     18.04370550      8.25383057    -12.72491299
  O     15.81913864     11.48379767    -16.84702556
  H     14.32534512      7.48435528     -9.90391727
  H     18.16952224      6.85206723    -13.42620292
  O     14.88340443      9.05218995    -14.31140826
  H     13.82323595      8.67245825    -10.75973482
  H     17.43831128     10.37191565     -9.55226508
  O     11.39528149     10.38504767    -12.40454337
  H     15.18018645     12.05162064    -13.54623579
  H     18.87888603     10.89533073     -9.34557671
  O     18.01067552      7.47749688     -9.79555634
  H     15.16505617     10.51572291    -13.41693886
  H     15.27025066      8.68851484    -18.02610764
  O     11.79708591      7.71708676    -12.70557488
  H     15.93799178      7.01362333    -16.56093026
  H     14.61006034      9.24877561    -19.30982431
  O     18.01166864      7.29800321    -12.58277277
  H     16.87507239      8.24843307    -16.61071752
  H     12.91857563     10.58136547    -11.31185850
  O     18.34919051     10.32271765     -9.89400585
  H     16.47276359      7.32174735     -8.99522094
  H     14.41210045     10.87728303    -11.55698845
  O     14.63353568      9.34510762    -18.36158744
  H     15.64928174      6.83443342     -7.77906265
  H     14.51239056     13.90088418    -15.26319961
  O     13.79232242     10.51262031    -10.90810457
  H     15.23045634      6.01987470    -14.38329085
  H     14.96072099     12.49164106    -15.71812622
  O     14.48237638     12.97890977    -15.02274174
  H     14.20165130      5.82333919    -15.48391384
  H     13.35143775      9.11061536    -17.04244515
  O     12.83550227      8.93088160    -16.24713274
  H     18.25574006      6.29637100    -15.87328673
  H     12.51202974      9.77482081    -15.89337288
          69
 Energy    -248.59489929192858     
  O     10.64814208      9.78816047     -9.27395030
  H      9.91695001      9.55076527     -8.71062016
  H     12.97504164     14.36591418    -13.44660320
  O     14.90140683     10.79030237    -16.37136288
  H     11.39045732     10.03090541     -8.69063456
  H     17.65786925     10.55134400    -10.96136438
  O     12.39608709      8.12926615    -10.82146241
  H     15.59855773     10.46678644    -16.93527604
  H     17.01982532      9.98083941    -12.24852317
  O     13.47036402     13.28932066     -7.68760437
  H     14.23436695     10.08230142    -16.31937479
  H     14.79121723      8.92473425    -12.94289292
  O     12.75465246     12.68218682    -16.76201863
  H     11.69550154      8.57583402    -10.33104037
  H     15.44292758      8.61786336    -11.59525136
  O     12.93613112      9.07873417    -13.36230885
  H     13.20858547      8.31852944    -10.33669741
  H     12.59343063     14.69983991    -10.57642606
  O     14.78027384      9.30687374     -9.73432715
  H     12.97430738     13.66556839     -8.43858021
  H     11.74690326     13.44451731    -10.27422484
  O     14.11654990     11.52570333    -11.23041111
  H     13.25797077     13.81837199     -6.92381989
  H     18.35204026     13.15645282    -13.63974222
  O     12.87386804     10.48996574     -7.90238156
  H     13.55695899     12.14515992    -16.74825168
  H     17.66920804     12.13322008    -12.69697345
  O     16.02832813     14.66457010    -11.43533556
  H     12.77512846     13.21266037    -15.95429476
  H     11.79273003     12.23144167    -13.86756090
  O     11.32407201     11.85113941    -11.04301479
  H     12.67098187      8.65743927    -12.53200007
  H     10.95103727     11.15974122    -14.60345056
  O     12.88815117     13.66758701    -14.10452913
  H     12.42625940      9.89481123    -13.43680817
  H     15.12149239     12.40307963    -10.06408989
  O     17.67314963     10.61760716    -11.92190746
  H     14.52444126     10.02531110    -10.33869795
  H     15.02273925     13.04599263     -8.66263663
  O     15.64999482      8.80479182    -12.51627265
  H     15.65811461      9.53695054     -9.40718918
  H     15.90873777     12.36765267    -13.71229712
  O     12.17432414     14.20832283     -9.86075340
  H     14.40672534     11.56971159    -12.15017703
  H     15.04958107     11.49578415    -14.68198326
  O     17.54623014     12.98275549    -13.16173690
  H     13.16150769     11.66160196    -11.19405346
  H     11.41204939     11.53899262    -16.66067737
  O     11.30526365     11.40362752    -13.74047502
  H     13.60128696     10.08063808     -8.38584993
  H     10.04178995     10.94929251    -17.07453000
  O     15.65170625     12.79884395     -9.35178528
  H     13.09926929     11.42107240     -7.78718437
  H     16.75479893     11.42213518     -9.09800461
  O     15.02976312     11.99380041    -13.85455601
  H     16.01009374     14.14058174    -10.62412431
  H     17.84962609     10.61699095     -8.35556483
  O     10.75627946     10.84936907    -16.45167297
  H     16.60375259     14.18507843    -12.04344401
  H     13.52276243     16.45244171    -12.11566490
  O     17.22859212     10.57242737     -9.07777973
  H     10.97988188     11.13651934    -10.49309143
  H     14.42626793     15.22827729    -11.84477184
  O     13.51135138     15.50175899    -12.03595174
  H     11.12076016     11.65042025    -11.96699083
  H     12.91787539      8.80952787    -15.17342349
  O     12.91439255      8.97166300    -16.12873691
  H     13.69115905     13.12795604    -14.02534934
  H     12.09384631      9.44318886    -16.31588924
          69
 Energy    -248.59489543137306     
  O     11.51817401      4.47088614    -12.67864414
  H     12.22120667      4.24474181    -13.29802775
  H     14.88993313     10.83691750    -12.63823101
  O     17.92691161      8.01796992    -12.76780168
  H     11.02155904      5.20810062    -13.06415095
  H     16.98704846      7.11637026    -11.52272050
  O     16.68171536      8.31464068     -8.63847601
  H     18.50175090      7.28216754    -13.01632412
  H     16.50911705      7.15368383    -10.04043605
  O     11.82437133     10.08035703    -13.74174136
  H     17.32879992      8.17456350    -13.51147628
  H     14.94040836      7.45000161    -11.69582829
  O     16.29500629      3.63127159    -15.58340922
  H     16.88630321      8.23871059     -7.71109307
  H     13.46361141      7.84756966    -11.46504747
  O     11.67574729      8.05462390    -15.72217243
  H     15.81140883      8.74975502     -8.70391894
  H     10.17327259      7.41172877    -12.96776292
  O     15.03657879      4.39259070    -11.46193134
  H     11.73550699      9.50143996    -14.50988453
  H     10.59147730      7.13814191    -14.42046342
  O     14.31886552      9.54277043     -9.05908173
  H     12.76422149     10.28793075    -13.66945899
  H     20.10051331      5.32419900    -13.45610468
  O     17.52010158      6.05771249    -15.81351168
  H     16.50381445      3.09175603    -16.34125014
  H     18.61202302      4.95881726    -13.24011977
  O     17.65294484     10.00166714    -10.75316365
  H     16.68298267      4.50908373    -15.74725752
  H     13.86512853      5.83642625    -14.56029582
  O     15.38453026     11.48400978    -10.95392706
  H     11.66733196      8.00477946    -16.67419926
  H     13.85417647      7.13936966    -13.73060046
  O     14.62919949     10.24438504    -13.35367751
  H     12.47345050      7.58552672    -15.42152431
  H     15.73554665      9.21519188    -14.56440243
  O     16.38746347      6.70337569    -10.88589250
  H     15.56475973      5.17237635    -11.23104315
  H     15.36780794      7.76936876    -14.91591334
  O     14.16081299      7.81652173    -12.13085906
  H     14.21173681      4.49021005    -10.97257468
  H     16.66150281      3.78469620    -12.34765419
  O     10.22428716      6.71691104    -13.63451219
  H     13.56694988      9.01204685     -9.35248476
  H     17.04198095      3.52673063    -13.81975571
  O     19.21393786      5.66581214    -13.53434242
  H     14.47950191     10.21939626     -9.72747937
  H     10.89233391      9.39540991    -12.44163447
  O     13.84088481      6.79806185    -14.63880425
  H     18.20941974      5.97448935    -15.14214543
  H      9.60687226      9.44993528    -11.58274702
  O     16.11208377      8.38971632    -14.89635118
  H     17.11584367      6.92176670    -15.67184463
  H     14.70283498      3.82654304    -14.64754642
  O     17.41307590      3.71126294    -12.94727893
  H     17.49169589      9.44637305     -9.98020535
  H     14.37445819      4.18323984    -13.17231404
  O     10.37187969      8.91321580    -11.77346777
  H     17.86416311      9.40063566    -11.47944892
  H     12.08309017      4.37689150     -9.60745814
  O     13.99127616      4.10792674    -14.05938648
  H     16.23858018     11.01785475    -10.90070631
  H     12.06778396      4.78782844    -11.09902888
  O     12.47167907      4.98398023    -10.23234356
  H     15.54775907     12.38485647    -10.68678433
  H     12.28404864      6.85229323    -10.06739329
  O     12.31063572      7.81827183    -10.09178956
  H     14.47049341      9.38964313    -12.92116197
  H     11.54412928      8.13884161    -10.58741764
          69
 Energy    -248.59482528591769     
  O     12.42900379      6.21746771    -10.36850727
  H     11.62229861      5.91784614     -9.95973883
  H     14.97047851      8.15157353    -17.05046135
  O     17.49245948      5.50004359    -13.21691550
  H     12.66274235      7.06682210     -9.94940315
  H     20.21229326      9.35346666    -15.03981091
  O     12.22533163     10.66154895    -11.21176468
  H     16.76163350      4.87690030    -13.30277994
  H     19.39174644      8.93958352    -13.79514788
  O     14.71810770     11.70614008    -12.23455572
  H     17.76452508      5.76212029    -14.11013669
  H     14.47608561     11.37914581    -13.98719083
  O     11.85086213      7.89364699    -15.91874300
  H     12.09517543     10.27909290    -12.09518597
  H     15.25071257     10.44243995    -14.91455113
  O     16.73762266      6.52060815     -9.44065984
  H     11.47917177     11.23531210    -11.05197283
  H     16.49105342      7.02182166    -12.80675980
  O     13.88598466      5.85564858    -15.14421520
  H     13.92736766     11.45392724    -11.74480749
  H     15.04246028      7.58142743    -12.66516657
  O     12.19947308      9.55455925    -13.74267877
  H     15.44742264     11.21082087    -11.83815378
  H     14.03490952      5.22252831    -10.55956583
  O     13.67429850      9.66416458    -17.22500674
  H     12.39130397      8.44967224    -16.49593919
  H     14.91079692      4.53426052    -11.62774123
  O     18.14125145      6.47611244    -15.68415040
  H     12.34648719      7.07568800    -15.80448774
  H     19.76335417      5.68616259    -10.94707962
  O     16.68346419      9.41863318    -14.82209182
  H     16.12322745      5.90028838     -9.85944252
  H     18.54441536      5.92227301    -11.86850939
  O     15.59664086      7.59699853    -16.57293114
  H     17.56799130      6.44861238     -9.92306016
  H     14.97224738      3.10395318    -13.78734771
  O     19.41373684      8.90900493    -14.76926829
  H     13.65732580      6.33532656    -14.33155842
  H     14.66970115      4.57337910    -14.15102503
  O     14.40660978     10.91241955    -14.83398662
  H     14.51721769      6.40056730    -15.63438669
  H     16.43652997      9.73433032    -10.18727723
  O     15.97389238      7.83100500    -12.72097133
  H     11.87005232      9.00076457    -14.46570076
  H     16.39972015      9.17760763    -11.62294762
  O     14.91431396      4.85832942    -10.72107317
  H     12.95938321     10.03786655    -14.09809021
  H     18.42797688      9.44587338    -11.68557309
  O     19.04624495      6.29092028    -11.12087788
  H     13.54375619     10.27256853    -17.94854797
  H     19.19142961      8.10154610    -11.66685157
  O     15.12906653      4.00400474    -13.51208581
  H     13.88878822     10.20482256    -16.44710871
  H     16.15179807      8.02561189     -8.88464089
  O     16.66773741      9.94913832    -11.09947061
  H     18.63392544      7.28270046    -15.48318212
  H     16.10408916      9.05633203     -7.72989371
  O     19.17660156      8.97649347    -12.07469578
  H     17.36346507      6.74204222    -16.18807390
  H     14.02479684      8.79025578     -9.13529272
  O     15.81937933      8.90649419     -8.62711807
  H     16.44274681      8.88614503    -14.04700805
  H     12.85432776      9.37348649     -9.97937259
  O     13.11850211      8.62877126     -9.42596605
  H     17.64571075      9.41572455    -14.87507024
  H     12.87309331      8.02029156    -13.04041876
  O     13.30843588      7.18784619    -12.81604326
  H     16.02605346      8.20773117    -15.95378855
  H     12.91230041      6.83736438    -12.00935592
          69
 Energy    -248.59476345360775     
  O     12.11677815     10.28338780    -15.64583200
  H     12.55643318     11.09398908    -15.36522214
  H     14.70107260      5.60503585    -15.29125088
  O     16.67273263      7.10189333    -13.45166976
  H     12.77354703      9.75397274    -16.11880024
  H     19.62114719      8.74188791    -14.78235715
  O     17.10135170     10.71579825    -11.42974129
  H     17.36813878      7.35373821    -12.83282227
  H     21.04025191      8.68578248    -14.17765456
  O     17.49842521     11.25112489    -15.64330509
  H     16.41422517      7.91807642    -13.90718300
  H     16.27344670     12.40181093    -16.19642162
  O     13.04058194      6.57935508    -14.61214280
  H     16.91170525     10.64212551    -10.48576480
  H     15.66875556     13.26140006    -17.31910568
  O     13.90168848      8.97027741     -9.22046187
  H     16.25144023     10.88813467    -11.85726318
  H     15.29463927      9.95045241    -13.90531996
  O     14.30864426      6.69107595    -12.12449989
  H     16.89439699     10.57888993    -15.28989080
  H     15.08856407      9.15469893    -15.23925862
  O     14.59263364     11.01408883    -12.64562936
  H     18.07944220     11.49891819    -14.90901958
  H     11.33449344      9.18039744    -14.56826928
  O     16.45010950      7.23891436    -17.43474959
  H     13.44992720      6.50145075    -13.73796958
  H     10.05990245      8.47811703    -14.03945531
  O     14.91224280      6.28680664     -9.42609696
  H     12.23429945      7.08822699    -14.46112630
  H     17.84223110      7.66806123    -10.13386549
  O     18.67518938      8.76105636    -16.28292990
  H     14.11783754      8.02945178     -9.19274884
  H     17.08828339      8.43379233     -9.03194445
  O     15.63835275      5.51730408    -15.49497983
  H     13.39673940      9.10065539    -10.03255868
  H     19.52732896     10.67271198    -13.50158262
  O     20.12837032      8.86226510    -13.96083167
  H     15.17985449      6.82021681    -12.52786385
  H     18.43921210     11.35282591    -12.64280199
  O     15.50704575     12.95029846    -16.43244644
  H     14.45968097      6.41795924    -11.21164587
  H     18.01374448      9.13532110    -11.68326691
  O     15.74184522      9.42563134    -14.58186537
  H     13.91497515     10.39931515    -12.32858052
  H     19.16681586      8.42969105    -12.44726451
  O     11.00902202      8.49795446    -13.95316701
  H     14.17363293     11.64088313    -13.24867728
  H     16.28216228     10.68417145     -7.97853595
  O     17.30606129      7.54484965     -9.33928281
  H     16.21880940      6.54169087    -16.79517809
  H     15.40721294      9.82269868     -8.92034610
  O     19.04237045     11.49861395    -13.38352435
  H     16.64239681      6.79956223    -18.25972915
  H     12.10498710      8.91092485    -12.46780636
  O     18.49917014      8.29995340    -11.76139832
  H     14.89445362      5.54906164     -8.82289624
  H     13.38514779      8.23067680    -11.94104208
  O     16.30507644     10.17471907     -8.78406197
  H     15.81158719      6.66092933     -9.38860972
  H     14.19356494     12.76225396    -15.30824215
  O     12.84116228      9.02893456    -11.85649968
  H     17.96003927      8.23164277    -16.65156528
  H     13.02661111     13.44904847    -14.56249984
  O     13.47267784     12.61277892    -14.67136953
  H     18.35135640      9.67199358    -16.26737761
  H     14.79213629      8.06914176    -16.98578357
  O     14.02942379      8.41812873    -16.50793479
  H     16.10671801      5.91534106    -14.74553801
  H     13.70280769      7.71144106    -15.93043682
          69
 Energy    -248.59470412708612     
  O     10.30986984     12.58134185     -9.20036437
  H      9.79458912     13.10153849     -8.58983966
  H     12.38413843     12.53109628    -11.45579997
  O     12.98903547      9.28400956    -16.13014527
  H     11.07292278     12.23742172     -8.70146267
  H     14.29093707     13.50842865    -14.28669935
  O      9.82512141      9.88650054    -10.16544414
  H     13.33278989     10.16665640    -16.35810900
  H     15.82805177     13.72769375    -14.32166751
  O     13.27901374      9.14512775    -13.34248947
  H     13.13548057      8.72753340    -16.89026640
  H     18.37398572     10.05714432    -11.97975185
  O     15.23303124     11.97643908     -7.86773784
  H     10.40500042      9.39323452     -9.57271331
  H     16.94343724     10.60015445    -12.21376784
  O     13.75947862     11.83581412    -16.66691858
  H      9.82733174     10.79203702     -9.83133922
  H     15.38953174     15.47968161    -12.51938379
  O     10.88663449     10.40934179    -12.65150184
  H     12.45269779      9.57253692    -13.06929863
  H     13.86957345     15.27849548    -12.59823673
  O     13.65884056      8.85983041    -10.51609267
  H     13.21141179      9.02683291    -14.29863050
  H     12.49449569      8.67080371     -9.24924237
  O     13.86798129     11.64934277    -11.10604495
  H     15.24252768     12.72057038     -8.49314754
  H     11.90054644      7.86383465     -8.06972988
  O     12.39445103     11.41966975     -7.91010641
  H     15.67149832     12.28121226     -7.07656898
  H     12.21411640     13.86631840    -13.06281676
  O     17.59282600     13.40081812    -11.27092835
  H     12.95726351     12.37145841    -16.62553102
  H     12.20172865     14.03916651    -14.59952687
  O     11.54064198     12.95270644    -11.68597078
  H     14.38314668     12.26950150    -16.07000761
  H     14.66028927     13.01457640    -10.31367700
  O     15.12694195     13.11782494    -14.58242847
  H     10.43755509     10.06197839    -11.86849461
  H     14.90014969     14.52290388    -10.50409555
  O     17.68049164     10.57465503    -11.57804293
  H     11.07101922     11.33556818    -12.44634492
  H     15.39801346     11.56873920    -13.75955483
  O     14.57911845     15.53929566    -11.99893420
  H     13.65780953      8.75869040    -11.47447337
  H     14.76678139     10.18510593    -13.34859988
  O     11.85255851      8.70410868     -8.51742464
  H     14.56438873      9.01187021    -10.19969363
  H     10.98968221     12.38165270    -15.82476746
  O     12.70639027     14.24986260    -13.80395462
  H     14.46913600     11.46155308    -11.83840117
  H     10.69060194     13.65149946    -16.65524076
  O     15.12445524     13.77592711     -9.93135943
  H     13.66139804     10.79537513    -10.71013817
  H     16.68201676      9.97983477    -10.08488232
  O     15.50612476     10.78949054    -13.19505778
  H     13.34327462     11.57189450     -7.84724802
  H     15.82840371     10.42458074     -8.87299517
  O     11.33804343     13.25556326    -16.07796123
  H     12.26122495     10.46555520     -7.98355154
  H     17.29229831     14.35414847    -12.69322853
  O     16.02708274      9.67354848     -9.44538519
  H     16.81789350     13.53593703    -10.70926756
  H     17.70837090     15.45070078    -13.70430379
  O     16.99038455     14.87334774    -13.46045464
  H     17.73189769     12.44779286    -11.31852515
  H     11.27930281     10.13654907    -15.72497093
  O     10.59175898     10.73242891    -15.40561717
  H     11.02510961     12.97800424    -10.87072279
  H     10.53216317     10.57416962    -14.45313509
          69
 Energy    -248.59444548472814     
  O     12.76328865      5.83575761    -11.67113403
  H     13.40211339      5.23414438    -12.07058549
  H     14.65869159      6.03217297    -15.22187124
  O     16.82672390     10.41844963    -12.61974581
  H     13.24752965      6.32675426    -10.99168486
  H     17.52856801      7.65184426    -14.63060854
  O     17.23184902      9.40848438    -15.14256779
  H     17.11412322     10.16115055    -13.50758339
  H     18.30722985      6.44629481    -15.21297724
  O     15.11752091     12.68159565    -12.73876659
  H     16.32850086     11.24144434    -12.69937985
  H     15.53879842      9.12900231    -12.55800328
  O     14.38715329      7.39663616    -10.04829427
  H     17.83170539      9.34736075    -15.89993533
  H     14.73598415      8.07287485    -11.72952496
  O     14.67567065      9.37675759    -16.34225359
  H     16.33718490      9.44080716    -15.50583795
  H     13.92156063     10.72259630     -9.77745605
  O     13.60192986     11.38341984    -14.82577547
  H     14.42042070     12.50504031    -12.08680389
  H     15.26933226     10.06250681     -9.39731738
  O     16.58939565      5.69345553    -17.86160273
  H     15.39367021     13.58596485    -12.60824912
  H     14.77440968      3.23041236    -12.92347158
  O     11.19587276      7.35219766    -13.26035236
  H     14.22490705      8.28309273     -9.68879924
  H     14.95776248      4.49350493    -13.79194833
  O     17.11925300      5.63066760    -11.98078920
  H     15.28434001      7.15278732     -9.78882985
  H     13.27252797      9.45100078    -12.62584521
  O     13.58930169      7.38213264    -14.77058907
  H     14.30842965     10.17989375    -15.94513055
  H     11.79105671      9.12924893    -12.86905967
  O     15.36853954      5.37852853    -15.31088807
  H     14.23522910      8.63620977    -15.90253093
  H     17.20779160      6.48017377    -10.48493558
  O     17.69347572      6.70668795    -14.51425897
  H     14.16292897     11.92985307    -14.26378778
  H     17.66974615      6.48854080     -9.00847444
  O     14.80253020      8.50608263    -12.59027626
  H     13.03497863     10.89268339    -14.21714412
  H     19.72988056      5.43358847    -17.18985732
  O     14.30908307     10.00942670     -9.26361043
  H     16.29380726      6.56232344    -18.16287117
  H     18.24305686      5.85476908    -17.29875641
  O     14.78645668      4.18425753    -12.88750526
  H     16.04306707      5.46693194    -17.09792443
  H     17.17696523      8.88604952     -9.78624416
  O     12.39681846      9.86101976    -12.70811979
  H     11.70539357      6.78716949    -12.64900376
  H     17.11072194     10.04834035    -10.80195051
  O     17.14182345      6.96557101     -9.64294106
  H     10.32353750      6.97388838    -13.32132027
  H     15.57670843      8.74449657    -19.36654268
  O     19.09454168      6.07134033    -16.87698666
  H     16.33993002      5.10413409    -12.19048973
  H     15.45427372      8.78881289    -17.82789127
  O     17.01025903      9.83348617     -9.86538228
  H     17.41368902      6.02335148    -12.81311653
  H     18.92663341      7.94758089    -17.32500891
  O     15.95098690      8.39173918    -18.56293502
  H     12.67961365      7.31745874    -14.46049935
  H     17.77308154      8.73214261    -17.97240310
  O     18.58700713      8.84054224    -17.46372258
  H     14.10270995      7.70928855    -14.01270367
  H     12.27291565     12.37087074    -10.65462871
  O     13.02394245     11.94165782    -11.05737388
  H     16.18545707      5.82108186    -15.03385553
  H     12.67441515     11.21233746    -11.59851381
          69
 Energy    -248.59416608728981     
  O     -1.50304010      3.58112700      2.56374127
  H     -1.12906479      2.78098990      2.95182285
  H     -0.61301158      8.25672708      1.00414027
  O     -3.06360124      5.92270150     -0.38898701
  H     -2.06161535      3.31993822      1.81803575
  H      0.60339894      1.04790735      0.50895611
  O      4.26301104      5.61403830      1.19992843
  H     -2.93539017      6.51752587      0.35948735
  H      1.90720288      1.37208390      1.28984847
  O      1.89879988      6.78263620      2.20213657
  H     -2.26464737      6.01511413     -0.92865891
  H      0.88693488      8.21338033     -0.87408782
  O     -0.62388751      5.86744363     -1.68248221
  H      5.17531414      5.89089657      1.21190347
  H      1.38620229      8.74897062     -2.23857048
  O      1.69344538      3.49213540     -0.93073611
  H      3.94368842      5.73701473      0.28673526
  H     -1.81984228      2.51438095     -3.45484809
  O      0.22426000      4.98837158      0.81724929
  H      2.76209424      6.43158044      1.94977946
  H     -2.85717457      1.60775246     -2.77988500
  O     -2.31125060      7.67764670      1.71058372
  H      1.74072158      6.54577102      3.12548119
  H      2.27680928      3.21017060      3.01299490
  O     -0.47641294      1.75078683     -0.85757256
  H     -0.35986258      5.51907536     -0.81773549
  H      1.15524731      2.63915289      3.90376328
  O     -1.42554687      6.09017598      3.71608094
  H     -0.04893210      6.62374601     -1.85237640
  H     -3.45086631      4.64335578     -3.16501305
  O     -2.75768135      3.16576329      0.17363649
  H      1.04277889      2.81375532     -1.14723538
  H     -4.05989021      5.23847990     -1.88190219
  O      0.27754809      8.48407500      0.71287312
  H      1.24786419      4.03618480     -0.25952744
  H     -1.25356931      4.70468194     -4.58906551
  O      1.11585670      0.82271935      1.29808871
  H      0.75845644      5.62505884      1.30785248
  H     -1.20520812      4.87077737     -3.05445972
  O      1.21416546      7.94685440     -1.75348846
  H     -0.30877020      4.49969794      1.45560829
  H     -0.40605714      0.54019004      4.07766367
  O     -1.97115365      1.60601161     -3.16276770
  H     -2.87497571      8.34795702      2.08928130
  H      0.25501968      1.04852504      2.77175737
  O      1.80713117      3.34716579      3.84563287
  H     -1.99761412      7.13003010      2.45259826
  H      1.57821850      5.93106913      5.61683435
  O     -4.26689368      4.68935750     -2.64952225
  H     -0.86417152      1.51781360     -1.71246166
  H      1.45361702      4.91084644      4.45798562
  O     -1.64750840      4.39532836     -3.77670490
  H     -1.15748422      2.27339052     -0.41588618
  H      3.68788222      3.76336203      1.43129638
  O     -0.19026659      1.33090314      3.59205323
  H     -1.56254633      5.18163941      3.40950874
  H      2.72360306      3.04490242      0.49333421
  O      1.24737609      5.82476242      4.72948903
  H     -0.56968945      6.08749750      4.15833442
  H     -5.35117553      1.74329881     -1.86938706
  O      3.14694912      2.96757556      1.36127747
  H     -2.88936973      4.10912518      0.00361073
  H     -4.52085271      3.01931177     -2.14983752
  O     -4.47385682      2.10997619     -1.80350543
  H     -3.38311084      2.69422762     -0.38950876
  H      2.54077307      6.57750350     -1.47168186
  O      3.15663772      5.86745780     -1.25771552
  H      0.88387734      8.01985511      1.30773913
  H      2.67873327      5.03457322     -1.37501970
          69
 Energy    -248.59386138498826     
  O     11.19346529      8.95807421    -14.43818561
  H     11.91913870      8.72715479    -15.03350801
  H     19.30242053     10.92023628    -14.94398096
  O     17.18699685      7.44734616    -13.73295461
  H     11.31630427      9.88613107    -14.20774001
  H     14.60259017     12.27000710    -15.08805781
  O     16.30761979     11.18022094    -11.41066198
  H     17.65297176      8.02857076    -13.11249543
  H     13.91734283     11.56447180    -16.28458740
  O     16.18662527     12.06199539    -14.12356603
  H     16.56315933      6.91281123    -13.22359503
  H     15.99283876      8.75619541    -14.09243386
  O     14.95151117      7.76562599     -8.82385492
  H     15.39089019     10.93118291    -11.59856723
  H     15.72202834     10.27491399    -14.37825489
  O     15.32308378      6.17565996    -12.16041425
  H     16.44678913     10.96271983    -10.47976178
  H     10.33315050      6.52288541    -12.58738204
  O     13.77188494     10.29747882    -12.18878990
  H     17.00753761     12.24997658    -14.59631672
  H     11.12264518      7.64868851    -13.29859323
  O     17.05972218     10.37780470    -17.22045325
  H     16.37627567     11.98514726    -13.18071921
  H     18.55750498      8.55002219    -10.54971115
  O     16.70729564      5.89843398     -9.71718818
  H     15.37667175      8.63019943     -8.78990663
  H     17.98007218      7.36884075     -9.72786654
  O     18.36369529     12.29716400    -15.84942122
  H     14.27449443      7.81191398     -9.51360793
  H     12.60651065      6.06200449    -13.76482767
  O     18.30341646      8.04736439    -16.15390362
  H     14.63405122      6.76631722    -11.82316027
  H     14.11198523      5.78769714    -13.65485960
  O     19.57348363     10.09302353    -14.52742165
  H     15.84305049      5.91610630    -11.38933365
  H     17.67512650     10.03075954    -11.97749259
  O     13.76203557     12.17816295    -15.55748080
  H     14.25581185      9.91351431    -12.93758126
  H     18.88377635      9.70869480    -12.92357389
  O     15.30689884      9.40876462    -14.27921828
  H     13.05883879     10.82286104    -12.57030749
  H     16.92008152     10.51739359     -7.99227004
  O     11.20711141      6.88740959    -12.69601602
  H     16.11489421     10.26983662    -17.37765203
  H     17.34114870      9.45820574     -9.03811054
  O     18.41856220      8.22405634     -9.64862904
  H     17.40164507      9.52069726    -16.93506266
  H     13.91422023      9.37111019    -17.08730849
  O     13.39249416      5.87074947    -14.29196035
  H     16.06738669      6.51612789     -9.31690371
  H     13.78367730     10.13448620    -18.42377950
  O     18.35766459      9.37793707    -12.18028862
  H     16.80676965      5.17221302     -9.10711391
  H     12.52153296      7.46211515    -11.52093829
  O     16.65923580     10.11922431     -8.81880165
  H     17.89790056     11.66127488    -16.42508721
  H     13.41516752      8.72570490    -11.40791914
  O     14.22494852     10.15086393    -17.57783186
  H     18.70674768     12.98502584    -16.41259631
  H     11.27449659     12.39981984    -13.61207911
  O     13.30812594      7.81792768    -11.08932083
  H     17.89313575      7.71472159    -15.33786934
  H     12.48969066     11.88275816    -14.41917621
  O     11.84420440     11.64468068    -13.72906153
  H     18.68933604      7.29263132    -16.59164648
  H     14.13648442      8.62420028    -15.30797041
  O     13.50305078      8.14545860    -15.86721502
  H     19.30800696      9.39619162    -15.13944637
  H     13.45855828      7.25417784    -15.49390829
          69
 Energy    -248.59378234491749     
  O     14.87423798     10.76274506    -16.05597388
  H     14.61739215     11.64943143    -16.30196093
  H     20.03982935      5.62364965    -16.34335850
  O     14.24205873      4.33504269    -16.78428603
  H     15.56159019     10.85133327    -15.37866370
  H     17.70556051      7.62011843    -16.48462215
  O     17.61574675      6.59905773    -11.78492743
  H     13.52953829      3.91785398    -17.26303753
  H     18.70168242      7.34402491    -17.62205696
  O     19.23051243      5.64101764    -18.18117121
  H     14.20228221      5.28417091    -16.99992167
  H     16.38562530      7.35236329    -14.60394322
  O     13.11210538      6.87146658    -10.43409803
  H     18.47738253      6.73494747    -12.19560683
  H     15.74022220      6.85929658    -15.93556015
  O     14.06434223      4.80039033    -13.93596569
  H     17.03081418      7.26143112    -12.18550540
  H     12.94729112      8.37532821    -14.68148389
  O     15.99668178      8.34244224    -13.11013069
  H     19.65989713      5.32478718    -18.97165851
  H     13.48813878      9.46742024    -15.64693776
  O     17.69614205      4.32408666    -14.91551546
  H     18.44233635      5.08423761    -18.05553729
  H     14.30717078      3.54685128    -10.54330950
  O     12.91093954      4.17273944    -11.40824867
  H     14.02875065      6.69203945    -10.15828401
  H     15.06461303      2.55804670     -9.62203992
  O     18.95428308      9.43534013    -14.80211465
  H     12.67662058      7.28439503     -9.69335791
  H     13.68458473      7.54201938    -16.62639379
  O     17.06554939      4.04883408    -17.57591250
  H     14.12831591      4.55579969    -14.86590388
  H     14.82534088      7.62507314    -17.67609335
  O     20.12683840      5.50636933    -15.39210668
  H     14.91266351      4.58788775    -13.52131489
  H     20.84288450      7.28888014    -12.89795619
  O     18.28672372      8.05968040    -17.12605776
  H     15.04766182      8.15378924    -13.10720413
  H     20.06805235      6.61962978    -14.05184047
  O     16.53354402      6.80749297    -15.38646083
  H     16.14547975      9.26397837    -13.34641883
  H     16.86622699      5.00216049    -12.24286465
  O     12.86915846      8.73024814    -15.57728000
  H     17.29293597      5.18781224    -15.10399605
  H     16.09507521      3.76514265    -11.70373701
  O     15.17021744      3.35491158    -10.13373327
  H     17.33165685      4.04146137    -14.06884183
  H     15.58782350      5.19236845     -9.72842292
  O     14.31888471      7.00889721    -17.12792659
  H     12.80032417      5.06591382    -11.05865195
  H     16.41786476      6.36571094    -10.29114787
  O     19.97454002      7.21551851    -13.28719941
  H     13.13744581      4.28128088    -12.34153815
  H     13.60613025      6.51751151    -13.49192628
  O     16.42301127      4.18238140    -12.50801758
  H     18.86520473      9.05553515    -15.68754143
  H     13.20246125      7.31532375    -12.22159053
  O     15.65091658      6.15616692     -9.74413635
  H     19.31258335      8.73523113    -14.24414592
  H     17.09874947     11.59229162    -13.51067424
  O     13.42120965      7.40807343    -13.15739990
  H     16.10737994      4.10580713    -17.51000602
  H     17.62150939     10.39516133    -14.34348860
  O     16.81542549     10.86832534    -14.06236770
  H     17.35342390      3.92282067    -16.65897384
  H     16.76225730      8.80136669    -17.94750806
  O     15.85075783      9.02612327    -18.17818086
  H     19.37303272      4.94845994    -15.14630737
  H     15.56028918      9.67323408    -17.52424911
          69
 Energy    -248.59371016437518     
  O     12.39605737     11.03435212    -16.66610410
  H     12.90883406     11.49247832    -15.99506880
  H     16.24484345      5.40989425    -17.40719850
  O     15.47089724      7.75834511    -12.79850105
  H     11.67275722     10.60459716    -16.18388245
  H     18.40087420     11.23959606    -12.58595320
  O     15.25772917     11.85031520    -11.67847781
  H     15.33667059      8.35221342    -13.55450492
  H     18.00169917      9.92358710    -11.89354788
  O     16.38622832     12.71290609    -15.04778111
  H     15.89688501      8.27938446    -12.10319663
  H     17.90869682      9.84618092    -15.86179238
  O     13.49785000      7.43317898    -16.52975411
  H     14.78089318     11.81117814    -12.51722541
  H     16.95248303      9.86163129    -17.10543296
  O     12.82381990     11.49525913    -10.20816404
  H     16.06842930     12.34297968    -11.86063334
  H     14.43654719      8.74471426    -15.54846495
  O     12.77477226      7.97689072    -12.23023470
  H     16.70178180     11.95914186    -15.56632567
  H     15.73775179      9.61555987    -15.45569565
  O     13.85271367     11.67927792    -14.18111110
  H     15.45537792     12.54470917    -14.85927190
  H     10.78808196      8.81790461    -14.90539195
  O     17.24575525      6.71630832    -14.73730049
  H     14.29068115      6.91120534    -16.71547560
  H     10.81164484     10.15975884    -14.15969673
  O     12.69505428      8.64437471     -9.55037404
  H     13.35334709      8.01934739    -17.28554708
  H     15.29168612      8.97735376     -7.62008112
  O     19.08215502      8.88932161    -14.78333570
  H     13.70885902     11.69627349    -10.54069049
  H     14.38477742      8.63010741     -8.81227994
  O     15.95434627      6.24689223    -17.05555401
  H     12.86466413     10.60047383     -9.85138262
  H     12.25626500      7.13973265    -15.30155268
  O     18.61188655     10.29940524    -12.54222983
  H     12.30508606      7.57578754    -12.97169732
  H     11.07338343      6.27309553    -14.81352215
  O     17.17917888     10.31929736    -16.28167144
  H     13.71885464      7.82341727    -12.38343707
  H     17.24780763     12.95101787    -13.56305397
  O     14.94763267      9.32834259    -14.97677775
  H     13.04943985     11.46087276    -13.68834608
  H     18.07087639     13.83331023    -12.59214340
  O     10.58631513      9.75452668    -15.00846831
  H     14.23420650     10.82877463    -14.45692479
  H     16.02500328     10.28616635    -11.12779685
  O     15.31008278      8.71466141     -8.53745598
  H     17.92802069      7.39935563    -14.73982455
  H     16.20772795      9.19925619    -10.02673011
  O     11.57932546      7.05576948    -14.60870476
  H     16.68289596      6.90138492    -13.97457064
  H     16.18043621      7.91259121    -18.00907494
  O     17.64272246     12.98557691    -12.67238260
  H     12.68849405      8.34333508    -10.47375472
  H     15.27716797      9.06287388    -18.50255961
  O     16.50241286      9.47405951    -10.90503280
  H     11.85327476      8.39079967     -9.17840902
  H     12.16180917      9.73447036    -12.52976457
  O     16.19709358      8.81895045    -18.34023365
  H     18.94457750      9.38643738    -13.95604061
  H     11.98310865     11.06863790    -11.78030077
  O     11.81181045     10.63082919    -12.62566070
  H     20.02484459      8.80501293    -14.89877223
  H     13.04651463     10.03574181    -17.90388072
  O     13.38032762      9.36608766    -18.52899194
  H     16.44124374      6.38546717    -16.22274822
  H     12.91703500      9.50506460    -19.35050381
          69
 Energy    -248.59368405776803     
  O     12.49417817     12.70259934    -13.22868847
  H     12.27163482     13.60417960    -13.00931684
  H     19.63272874     12.05004429    -16.36624702
  O     18.28092048      8.47941984    -11.96073825
  H     13.36168381     12.72803387    -13.66472238
  H     13.24127519      9.73066882    -16.59976795
  O     15.49272138     10.41421015    -11.27531499
  H     18.36679236      8.69092738    -12.90309795
  H     12.11095980     10.73740147    -16.33737285
  O     10.96849795     10.95405884    -14.95032859
  H     18.38117519      9.33567664    -11.52870537
  H     16.60345081      9.78062071    -14.28042568
  O     13.95836711      8.34752005    -15.29997770
  H     15.58127274      9.46675968    -11.08909432
  H     15.64946104     10.10990740    -13.08881048
  O     14.73296773      6.42446363    -13.33214824
  H     16.35727025     10.81584407    -11.12724645
  H     13.87700001     11.88869114    -17.22303982
  O     14.94912078     12.62720462    -14.52639988
  H     11.04895526     10.10779079    -14.49124995
  H     14.17155784     13.20291435    -17.98707673
  O     18.18009605      6.91034583    -16.11510810
  H     11.38891753     11.60635453    -14.37676881
  H     12.81788955      8.77579426    -10.52279814
  O     15.76890620      7.70334119    -11.04310239
  H     13.13108557      8.41655341    -14.80262480
  H     13.98366818      7.79413143    -10.26586187
  O     16.86264924     11.05801065    -17.41012898
  H     14.57462365      8.97877225    -14.89049417
  H     18.68641372     10.06471127    -15.03800002
  O     17.52220246      6.04587133    -13.62472880
  H     14.53342935      7.00888983    -14.07453778
  H     18.37476560      8.54274809    -15.23598608
  O     18.92063313     11.69494543    -15.84237000
  H     13.88039418      6.14744918    -12.97343633
  H     18.14199501     12.46009221    -14.29884451
  O     12.85731202     10.54909844    -16.92606687
  H     15.19710945     11.69477017    -14.43118047
  H     16.74960700     12.87506586    -13.79062847
  O     15.69354502     10.00579194    -14.04764724
  H     14.82105222     12.77475041    -15.47270364
  H     18.63191741     11.84962526    -10.62026855
  O     14.49976293     12.63647338    -17.29466547
  H     18.79047451      6.32160287    -16.55081007
  H     18.01641718     11.82380305    -12.03720540
  O     13.02168741      7.87603841    -10.23746306
  H     17.95444707      6.50091601    -15.26111599
  H     12.53600219     11.22255245    -12.05997392
  O     18.34874088      9.27156660    -14.60335889
  H     16.69907600      7.87543518    -11.24909059
  H     13.72837210     10.48277736    -11.43998318
  O     17.65720875     12.71821839    -13.50446139
  H     15.39682528      7.27362181    -11.82639263
  H     16.73160749      7.80250211    -16.96255888
  O     18.13546842     11.30217446    -11.22301464
  H     16.56300417     10.13769407    -17.42967641
  H     15.26948512      8.21505910    -16.70842044
  O     12.77887259     10.40083337    -11.61617090
  H     16.07604933     11.61161249    -17.46496429
  H     11.74852818      7.74112509    -13.15104206
  O     16.03701090      8.40229984    -17.26095859
  H     17.87520996      6.60975360    -12.93027533
  H     12.16525665      9.20582065    -12.86930621
  O     11.81573622      8.61449354    -13.55293188
  H     16.56255667      6.03059854    -13.50407842
  H     11.59298292      5.46218669    -11.83763058
  O     12.16818983      6.15283772    -12.15506428
  H     18.18406297     11.50415053    -16.45482338
  H     12.40476343      6.70225690    -11.38585799
          69
 Ord_Energy   -248.593628    
 O   -1.38009906     -0.733883262       4.76697779    
 H  -0.802630305      -5.57507612E-02   5.13463640    
 H  -0.789949536      -1.36564243       4.33409357    
 O    2.09105778      -2.09497476      -2.79159617    
 H    2.79640532      -1.44863987      -2.60736275    
 H    2.22033763      -2.40067887      -3.68525863    
 O   0.714612424       1.17538357       5.55419064    
 H    1.41675389      0.696081340       5.08602238    
 H   0.993666768       1.24691713       6.46455479    
 O    3.86959291     -0.210165173      -1.97622478    
 H    4.04554701     -0.518738687      -1.07719767    
 H    3.40781569      0.632746994      -1.88244665    
 O    2.11808443       1.92237151      -1.20982075    
 H    2.35026836       1.71627545     -0.293835282    
 H    1.70935655       2.79599929      -1.18283367    
 O   0.330402911     -0.220956266      -1.57072902    
 H   0.901454628      0.554495275      -1.49380183    
 H   0.814309120     -0.873576462      -2.09110355    
 O  -0.163413718       3.16791344       3.70914507    
 H   0.602624893       3.56668210       3.26920843    
 H   0.153576225       2.61653829       4.43502903    
 O   0.744258940       4.30664253     -0.598743081    
 H  -0.117730550       3.89706826     -0.410340965    
 H   0.565726280       5.14502048      -1.01706827    
 O    1.95380032      -3.21572971     -0.182205066    
 H    2.02194285      -3.03621459      -1.12791538    
 H    1.07864332      -2.89993882       8.77683312E-02
 O   -2.69385338      0.281995565       2.58043933    
 H   -2.98895907     -0.405037373       1.97344625    
 H   -2.38411546     -0.133389980       3.39991331    
 O    3.73448539      -1.22639561      0.680225909    
 H    3.12418270      -1.92671251      0.407840908    
 H    4.15260124      -1.52543128       1.49605668    
 O   -1.48389792       2.88441658       9.65097994E-02
 H  -0.937849402       2.20043015      0.510273159    
 H   -2.07901406       3.16313624      0.808530986    
 O    2.51202750       1.10813653       1.44541597    
 H    1.54651248      0.997415483       1.51221800    
 H    2.91317844      0.277709574       1.14839900    
 O   -2.35990524      0.524396300      -1.24395096    
 H   -2.26384115       1.41952527     -0.897224128    
 H   -1.47376263      0.264925927      -1.53141832    
 O    2.56014109     -0.161850989       3.96096730    
 H    3.26383734     -0.819171071       3.88620710    
 H    2.63054562      0.402638853       3.18004131    
 O   -2.77609468       3.13959932       2.50060630    
 H   -2.92545938       2.18699431       2.58200288    
 H   -1.99631667       3.32017064       3.04166293    
 O    2.53513312      -3.96350527       2.52612758    
 H    2.41182971      -3.97871900       1.56929481    
 H    1.76492012      -3.49189019       2.87529492    
 O    4.42422056      -2.17483854       3.26786184    
 H    3.80947495      -2.90303469       3.06179619    
 H    5.20288897      -2.56770849       3.65242934    
 O  -0.372188509      -1.89433670      0.572073996    
 H  -0.119322993      -1.21390247      -6.81210533E-02
 H   -1.33609819      -1.93641758      0.552564979    
 O  -0.151659563       1.12161160       1.82167554    
 H  -0.977614164      0.654047668       1.99906087    
 H  -0.144543171       1.86186063       2.44799089    
 O   0.550336421      -2.09660196       3.21403384    
 H   0.215720162      -1.94578612       2.31823850    
 H    1.17789602      -1.39000452       3.41127181    
 O    1.92393231       3.87905812       2.03257561    
 H    2.35183215       3.02801156       1.88246107    
 H    1.57729900       4.15016842       1.17358124    
 O   -3.14661717      -1.48168993      0.404809028    
 H   -2.96870542     -0.754421771     -0.220130831    
 H   -3.92414880      -1.93461752       9.07434374E-02
          69
 Energy    -248.59350475918336     
  O     18.02727240      9.05214238    -17.96707875
  H     17.84761501      8.20204239    -18.38994867
  H     16.36255526      7.28829565    -15.13645211
  O     14.85737594      6.60177366    -12.47177405
  H     17.68184185      8.97762611    -17.06268590
  H     17.49453594      7.89863974    -11.45534437
  O     17.46157437     13.88759223    -12.74442475
  H     15.76098188      6.65781403    -12.10587472
  H     18.05349288      6.66374518    -12.21618817
  O     21.07213151      8.42514262    -14.11324100
  H     14.38873986      5.95315270    -11.95414511
  H     19.65018789      7.05291342    -16.42023790
  O     14.95794889      6.72449063    -17.70531729
  H     16.58144895     14.05733709    -13.10345546
  H     19.67450547      8.39522437    -17.15566865
  O     14.44874344     12.11930510    -11.79581564
  H     17.97281789     13.51763279    -13.47427005
  H     16.22572992      9.40918165    -15.30054035
  O     14.67701676      9.42284237    -12.58871684
  H     22.01918446      8.35622452    -14.03279104
  H     17.70725099      9.30896961    -14.79719244
  O     18.64546006     12.55738943    -14.97146370
  H     20.85005100      8.24553822    -15.04636761
  H     16.75014543     10.39300667    -18.31222861
  O     19.29081235      6.24905596    -13.46947591
  H     15.13946439      6.54870143    -16.77118651
  H     16.02667428     11.58345103    -17.62025732
  O     14.58902533     10.19973208    -15.22712643
  H     14.52108431      7.58314311    -17.74478561
  H     16.38810054      9.67699272    -11.96208250
  O     18.37474672      5.68803437    -16.19021592
  H     14.37498950     11.17527572    -11.98749483
  H     17.25982693     10.63803951    -11.11496426
  O     15.91707769      6.42690340    -15.09186855
  H     15.21878928     12.21190503    -11.22163982
  H     14.56497181      9.91751623    -18.08568723
  O     17.36421396      6.95445018    -11.60060996
  H     14.55711266      9.66113953    -13.52000838
  H     13.07571792      9.57066171    -18.33324349
  O     20.20328282      7.83017951    -16.58131606
  H     14.59661003      8.46331043    -12.52734474
  H     17.28782134     12.84176164     -9.73369070
  O     17.04989804      8.91189316    -15.38094336
  H     18.80422523     11.69937159    -14.54128391
  H     17.25475215     12.94860353    -11.27797894
  O     15.95319693     10.94066820    -18.33599394
  H     19.41320059     12.74714050    -15.50473941
  H     19.71664838      9.58310015    -13.76320506
  O     17.28020076      9.80887613    -11.60847088
  H     19.96558143      6.92414450    -13.60500793
  H     18.44579266     10.01470975    -12.93205861
  O     13.82833448      9.35165447    -17.79015294
  H     19.07357854      5.91288368    -14.34597683
  H     14.58945781     13.26602164    -13.10627593
  O     17.01461901     12.38221760    -10.52293789
  H     14.18439388      9.86111950    -16.03585676
  H     14.12319009     14.59578120    -13.74526316
  O     18.94157824     10.15905549    -13.75125988
  H     15.00393395     11.04611776    -15.44801712
  H     16.91773120     12.50869411    -15.63592152
  O     14.79611736     13.92229266    -13.79627580
  H     18.16577795      5.76119336    -17.13017420
  H     15.52797912     13.08418235    -15.27919287
  O     15.98720865     12.49940782    -15.89723721
  H     17.52108697      5.78780021    -15.74358385
  H     16.48843226      6.47798639    -18.48058380
  O     17.40767788      6.39988041    -18.79601570
  H     15.49145217      6.38140784    -14.22926472
  H     17.37573662      5.93752443    -19.62888410
          69
 Energy    -248.59346592888136     
  O     13.28686716     13.30378850    -14.22187411
  H     13.93289947     13.69539489    -14.82200168
  H     18.32085150     11.06793071    -15.62235147
  O     17.65891547      6.89245948    -14.09148249
  H     12.97184518     12.50691831    -14.66615689
  H     15.70118744      8.70237030    -18.04954610
  O     19.61024477     11.17741965    -12.16432777
  H     17.49647787      7.14191641    -15.00674825
  H     15.38484772      8.85370414    -19.55373170
  O     17.53782664     14.01382282    -14.42477360
  H     16.92956429      6.31287446    -13.83664388
  H     16.29468136     11.56447387    -12.92665151
  O     15.29959681      5.53673663    -13.25783169
  H     19.23343960     10.28889934    -12.25469206
  H     16.88643805     10.11506590    -12.95664653
  O     16.21757420      9.55647315    -10.18069440
  H     19.65550915     11.54389830    -13.05387018
  H     13.79397486     11.15537692    -16.09324361
  O     14.72648028      7.52629789    -11.51696366
  H     17.17829236     13.82956753    -13.54543243
  H     12.65731816     10.13252301    -16.17755438
  O     13.71727436     13.57617382    -11.56827590
  H     16.78089236     14.10996779    -15.01320905
  H     17.44381107      8.83410206    -11.51620614
  O     12.72945132      8.58111984    -17.15831736
  H     15.10947784      6.17427285    -12.54538779
  H     17.93683812      8.14445748    -12.85128687
  O     16.60619258      8.07621695    -16.59951639
  H     15.09080646      4.67081720    -12.91911124
  H     15.54154186     13.36722433    -11.74267215
  O     14.31814901      7.40118780    -15.12354035
  H     15.37658639     10.02033904    -10.32236549
  H     16.91897357     12.80647958    -11.24231682
  O     17.49713355     10.59199652    -15.77609476
  H     16.85904082     10.25416212    -10.00362325
  H     18.87183331     12.94750644    -14.71717071
  O     15.13016880      9.16230305    -18.68779301
  H     14.24512790      8.16225964    -12.05988096
  H     20.32145799     12.70564884    -15.20576612
  O     16.25436778     10.71375708    -13.38057862
  H     15.23273613      8.05804610    -10.89137222
  H     18.65353994     11.64621960    -10.79051589
  O     12.97396225     10.88583072    -15.65857656
  H     13.16534053     14.27188038    -11.22203631
  H     18.51333518     12.13793932     -9.32996627
  O     18.03881693      8.91328861    -12.27144717
  H     13.50725738     13.49388520    -12.51661225
  H     15.17230529     10.86806513    -17.83193039
  O     16.44372021     13.14999434    -12.00976690
  H     13.40653843      8.74223514    -17.82610482
  H     16.13941896     11.27884591    -16.70511595
  O     19.55437374     12.26412361    -14.85120385
  H     13.15085631      7.99792194    -16.51224218
  H     13.73619868     11.78991659    -10.94508201
  O     18.01079555     11.83744959    -10.08253002
  H     16.98966021      8.91089488    -16.29136081
  H     13.57588708     10.43307828    -11.63830456
  O     15.32490548     11.54285170    -17.16001115
  H     15.82383851      7.88317361    -16.06047330
  H     15.26121110     13.24588206    -16.61320177
  O     13.83511128     10.84076784    -10.80378869
  H     14.56072538      6.63653692    -14.58704628
  H     15.08647606     14.76606160    -16.82436822
  O     15.24002877     14.10260866    -16.15542221
  H     14.12513365      8.11743139    -14.50422923
  H     14.68885480      9.95046576    -13.33318679
  O     13.80060998      9.55664759    -13.36970882
  H     17.00901141     10.64367621    -14.93840894
  H     13.34407080     10.01439412    -14.08823674
          69
 Energy    -248.59337955587668     
  O     21.29957321     11.98332115    -18.64842340
  H     21.53513934     12.86021179    -18.29434544
  H     15.98111899     11.36492437    -14.13599618
  O     15.38396313     16.89240128    -14.04219468
  H     22.04455354     11.68223820    -19.16101731
  H     20.13594396     17.68118721    -15.21314624
  O     22.15879920     15.06528491    -14.87213237
  H     14.93911474     17.63908949    -13.65008511
  H     19.68332133     16.91509280    -13.96093797
  O     14.45146914     14.28586823    -14.39039103
  H     15.74864749     17.19958517    -14.89454759
  H     17.73391444     12.11397347    -12.83437844
  O     17.24473157     11.37815320    -17.29037606
  H     21.57365448     15.83118878    -14.73033174
  H     19.23018216     12.45076995    -13.17025002
  O     16.27134248      9.75792843    -15.21469541
  H     22.94876925     15.22896863    -14.36396860
  H     19.32119900     10.03471773    -14.87005264
  O     21.80993123     14.42544385    -17.61883080
  H     13.50635246     14.29799300    -14.25745554
  H     18.81762865     10.37909165    -13.44915623
  O     19.46072910     15.90566976    -17.90912418
  H     14.76575531     15.18917907    -14.22722536
  H     15.83177204     15.15085954    -17.90083552
  O     20.24548517     13.03208165    -14.53029391
  H     16.76305397     12.20223667    -17.12569848
  H     16.56247970     15.70282193    -19.12737034
  O     18.60886676     12.44700120    -19.52462565
  H     16.84701358     10.72147303    -16.70548704
  H     17.14898709     16.51684574    -13.42895031
  O     19.25925218     18.37131259    -16.77075541
  H     17.14446856      9.64639881    -14.79607720
  H     18.14922297     15.67343775    -12.57421469
  O     16.10343659     12.08297382    -13.50401625
  H     15.81222953      8.92862885    -15.11422573
  H     16.27670183     17.15328351    -17.12757982
  O     20.46637194     17.15553072    -14.47538406
  H     22.06510721     14.63522002    -16.71302149
  H     17.38194891     18.00526547    -16.44805050
  O     18.64315554     12.08524425    -12.49071865
  H     21.05323999     14.99632725    -17.81094346
  H     18.51069783     14.48436864    -10.28418874
  O     18.77155867      9.71085671    -14.14474831
  H     19.03757463     15.46929831    -17.15325908
  H     18.46927607     13.63241738    -11.56155462
  O     15.94007256     15.95027517    -18.43463044
  H     18.97887454     15.65148734    -18.70591722
  H     18.98449567     11.19189602    -16.70820809
  O     18.06998587     16.24634510    -13.35192026
  H     20.28400588     12.34786866    -15.21396794
  H     20.46121869     11.23744095    -17.17075156
  O     16.48030679     17.68505105    -16.34341327
  H     20.99398679     13.63200289    -14.63073675
  H     18.21180213     15.30959404    -14.92425300
  O     18.35274260     14.53420746    -11.22317123
  H     19.53076325     12.25937307    -19.31085203
  H     18.98435835     14.04307925    -15.32844164
  O     19.89608787     11.05742798    -16.40963307
  H     18.07685185     11.98466545    -18.86430752
  H     18.11340784     15.12432147    -21.08879839
  O     18.36019594     14.70138082    -15.66011323
  H     19.56385042     19.07976278    -17.33221422
  H     18.20031167     14.06873514    -19.96289753
  O     18.03926624     15.01226606    -20.14516263
  H     19.38509298     17.54454234    -17.26866193
  H     15.35296226     13.87166237    -15.97722713
  O     16.00564200     13.76690162    -16.67847901
  H     15.52794040     12.80588157    -13.77380846
  H     16.84295827     14.10248834    -16.31750360
          69
 Energy    -248.59324559284974     
  O     -2.71432276      4.33243216      9.09927283
  H     -2.02729146      3.65068899      9.20426715
  H     -0.09488545     -1.47260323      7.92893562
  O     -0.82593993      2.36634625      9.13670687
  H     -2.93236637      4.64490338      9.97309350
  H      1.23933287     -0.67432396      6.05871012
  O     -0.23489705     -3.11952234      4.54189221
  H     -0.80406025      2.15405812      8.18972853
  H      1.95292909     -0.08624688      7.31727987
  O      3.09340899      1.34678960      4.87691861
  H     -1.09383961      1.56274279      9.60059472
  H      0.85482704     -1.68905165      4.29072284
  O     -2.39213298     -2.27203471      6.09796701
  H     -1.03256105     -2.90009981      5.04810269
  H      0.70539382     -0.29668069      3.66043766
  O     -4.97647962      0.83520495      5.26555019
  H     -0.03949131     -4.03034355      4.75022053
  H     -3.56867864      3.22899487      6.28029881
  O     -2.81589437      4.19435730      4.88136716
  H      3.31655016      1.20954353      5.80641816
  H     -3.74120951      3.39256995      7.79719204
  O      1.44126736      5.27137305      7.00154508
  H      2.63979990      0.54710984      4.58236834
  H      0.02945466      0.87865169      6.71542838
  O     -1.88357830      0.02599013     10.21590196
  H     -3.33035946     -2.18017162      6.29893380
  H      0.00941297      2.25272726      5.98964418
  O     -3.92512574      0.40303783      8.52512090
  H     -1.90310134     -2.17630187      6.93259784
  H     -1.75948725      0.80573304      5.47313632
  O     -1.25703787      5.43830279      6.92040982
  H     -4.06517828      0.68154398      4.97361248
  H     -2.28462198     -0.64676702      5.28479305
  O     -0.88295986     -1.87698215      8.32010733
  H     -4.91454603      1.58864494      5.86493845
  H     -1.35911525      0.32195638      3.38960126
  O      1.14583864     -0.51763062      7.00941438
  H     -2.16592796      3.81249064      4.26622664
  H     -1.08206371     -0.07274114      1.91907936
  O      1.27275253     -0.81580783      4.24398329
  H     -3.42233982      4.70336001      4.34848282
  H     -0.85554721      2.32548728      2.87814198
  O     -4.01386974      2.84710838      7.04961897
  H      0.47295232      5.38136412      6.98603103
  H     -0.11144942      3.34335708      3.75895240
  O     -0.53135959      1.63983289      6.50521934
  H      1.81900133      6.14542671      6.95579606
  H      2.87401287      1.77703848      8.10285749
  O     -2.27451515      0.23379072      4.88569512
  H     -2.20621982     -0.24817293     11.06987235
  H      4.13383130      0.89236506      8.25844623
  O     -0.73797568      0.43707003      2.64862308
  H     -2.66401196      0.14464591      9.64098907
  H      1.92191677      2.69198837      4.91403170
  O     -0.91638400      3.21889549      3.23376638
  H     -4.32113243     -0.28939213      7.98483141
  H      1.41541936      3.99998755      5.62454483
  O      3.36064669      1.02638191      7.71740843
  H     -3.93640858      1.20750327      7.99104004
  H     -5.14599047     -0.69650027      6.11448771
  O      1.17201595      3.29738445      5.01181932
  H     -1.74267087      5.07826840      6.16805507
  H     -5.91900671     -1.89723290      6.70969103
  O     -5.05779015     -1.49006550      6.67264207
  H     -1.76858791      5.19788719      7.70205270
  H      1.81232312      3.86861514      8.20077160
  O      1.89793508      3.06887555      8.73476097
  H     -1.16658880     -1.28436991      9.02479581
  H      1.00279292      2.84249646      9.01702098
          69
 Energy    -248.59304101737797     
  O     -6.83497490      3.15467904     -0.31004860
  H     -7.54083770      3.79032087     -0.22422922
  H     -5.26423909     -0.59353888      3.73878031
  O     -2.73183343      1.76804872     -2.78513389
  H     -6.66472227      2.80355569      0.58021082
  H     -0.87457123      0.58015838      1.50148498
  O     -6.13093373      1.90668835      2.05241574
  H     -3.26222182      2.46099743     -2.36296659
  H     -1.30428684      1.41352733      2.74347153
  O     -3.44569939     -1.78305675      1.49427554
  H     -1.80811677      2.05671766     -2.76135576
  H     -1.98833116      2.64492268      1.09985582
  O     -1.65004286     -0.70192070     -2.00125767
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  H     -3.21603840      3.41663270      1.63241951
  O     -4.87557198      0.36624345     -3.74838030
  H     -5.39530139      1.44863755      1.61796428
  H      0.89222014     -0.75738749      0.14116790
  O     -5.04010488     -3.32472383     -0.24912141
  H     -3.68513734     -0.91038157      1.13836077
  H      1.65000926      0.55758040     -0.11491360
  O     -4.03553781     -2.06283993     -2.41660122
  H     -3.94536835     -2.42969430      0.98302451
  H      1.61338250      3.12188955      0.54770242
  O     -0.93081341     -1.00930729      0.65965463
  H     -0.79199788     -0.70899887     -2.44391018
  H      0.47960171      2.13143485      0.88919839
  O      0.98151141     -0.41909910     -2.95106520
  H     -2.04821545      0.16231704     -2.17720403
  H     -6.58118038      1.48978908     -1.15330900
  O     -7.09449487     -0.48665573      3.09944280
  H     -4.08298794      0.87417016     -3.50221510
  H     -5.91450908      0.56222608     -2.22287418
  O     -4.31152023     -0.64617139      3.87099869
  H     -5.04335080      0.55167788     -4.66857896
  H     -2.13489828      1.23780186      5.12292710
  O     -0.82141622      1.45777732      1.90905014
  H     -5.11326558     -4.25655175     -0.43572732
  H     -3.12557769      0.60001520      4.12476594
  O     -2.76110151      3.14931632      0.81931664
  H     -4.70477046     -2.90176355     -1.06067541
  H     -6.39895609     -2.13719798      0.30921917
  O      1.65589634     -0.38606673     -0.32116143
  H     -4.45074578     -1.38255137     -2.95672271
  H     -6.85451600     -0.73638554     -0.13484254
  O      1.12461051      2.37722938      0.20548947
  H     -3.13826269     -1.73755509     -2.25628113
  H     -4.76040957      0.64987715     -0.24328674
  O     -6.28218832      0.58872955     -1.33078138
  H     -1.68410613     -1.44492532      1.07871478
  H     -3.64155372      1.51512607      0.43847029
  O     -2.45105573      1.29537627      4.22461986
  H     -1.19063781     -0.88446693     -0.26562962
  H     -3.64447262      3.63808745     -0.66823920
  O     -6.97912746     -1.40524602      0.55128120
  H      1.32636798     -0.47196100     -2.04134319
  H     -5.11433236      3.58600085     -1.12946581
  O     -4.13794030      0.68938279      0.49487237
  H      1.61985177     -0.84591967     -3.51511685
  H     -3.53743890      2.78314278      3.68041603
  O     -4.21014104      3.63086815     -1.45604615
  H     -7.07887326     -0.85980834      2.19872722
  H     -4.89033968      3.01578502      2.98130650
  O     -4.06343323      3.45260115      3.22411926
  H     -7.85951664     -0.85223775      3.53450767
  H      0.39215638      1.42293402     -2.76831926
  O     -0.03605317      2.23306000     -2.46496775
  H     -3.97796724     -1.18291429      3.13760462
  H      0.31380197      2.39147991     -1.58051252
          69
 Energy    -248.59254427103610     
  O     17.71806886      9.96501129    -17.56419712
  H     17.52225427      9.45323666    -16.76359481
  H     20.93859018      8.70253529    -16.49901685
  O     14.07199565      7.06801998    -13.63356768
  H     17.09935682     10.70262193    -17.57458925
  H     16.62207115      7.74162206    -15.46130970
  O     19.52021258      7.70452858    -13.96035605
  H     14.52060248      6.70194321    -14.40963438
  H     17.96507878      8.20369805    -14.81654007
  O     14.69041308      7.32707948    -18.32167209
  H     14.68175487      6.95155186    -12.89561752
  H     16.15194602     12.33073593    -16.33507299
  O     15.66985457     10.32169010    -13.82580834
  H     20.18325397      7.72579583    -14.66229088
  H     15.62831103     12.80339520    -17.70895084
  O     19.47343714     11.66180375    -14.57622112
  H     19.68044870      8.44059947    -13.35528185
  H     16.68225765      8.45312229    -11.49166725
  O     17.94598478      5.54206942    -13.21842412
  H     14.47446024      8.19462368    -17.93427619
  H     16.43436991      9.77804430    -12.23427785
  O     13.09907395      9.42913343    -14.44439672
  H     13.98552204      7.11501816    -18.92750012
  H     13.70034028      9.62192437    -16.22860173
  O     17.58023274      4.41985502    -15.82410388
  H     16.18064065      9.66494645    -14.32599689
  H     14.61805953     10.49095699    -17.12180590
  O     15.53262741      6.30996447    -15.86030023
  H     14.73762699     10.11804736    -13.96408451
  H     21.04268054     13.26684892    -12.13791601
  O     16.06771296      6.67101645    -11.63631288
  H     19.38762087     10.93317617    -13.94409477
  H     20.07484235     12.57100341    -13.11863753
  O     21.16054510      7.79627517    -16.21901923
  H     18.58016666     11.98797490    -14.74920686
  H     18.61232679      9.76403603    -11.98208285
  O     17.16261583      8.51513595    -15.25384960
  H     17.81833803      5.05853826    -14.04228205
  H     19.79569951     10.77392386    -11.92485007
  O     15.80186672     12.02321333    -17.18774329
  H     18.59363956      6.23365495    -13.41596421
  H     17.09293400     13.85270430    -11.52710831
  O     16.97336738      9.37202807    -11.54194426
  H     13.38125222      8.54972085    -14.12905307
  H     18.45889638     13.62005937    -12.18306391
  O     14.09424437      9.68220279    -17.10778600
  H     12.21539886      9.57003122    -14.11724843
  H     19.84747392      6.60280877    -16.98828784
  O     20.18261292     12.85750454    -12.19550975
  H     17.69413296      3.51986796    -16.11514225
  H     18.60716475      6.52550201    -17.92142085
  O     19.49172051      9.96615977    -12.34532770
  H     18.19189617      4.96680177    -16.35267540
  H     17.00017994     13.19706384    -13.95578361
  O     17.55672273     13.92377389    -12.35933171
  H     15.23330628      6.52751742    -16.75237296
  H     16.37639387     11.82797349    -14.34019803
  O     19.14000575      6.02297097    -17.28657304
  H     16.16139308      5.57871826    -15.91289304
  H     20.22898648     10.85610448    -16.09147798
  O     16.82147397     12.61160380    -14.70324424
  H     15.94940797      6.11782281    -10.86840230
  H     19.51459035     10.20893107    -17.27792095
  O     20.38440303     10.29628676    -16.86271871
  H     16.73378330      6.23026202    -12.19433977
  H     17.63098873      8.43696289    -18.61016559
  O     17.49377294      7.53194181    -18.92220260
  H     22.07827773      7.65753459    -16.43607556
  H     16.54418025      7.38641486    -18.84300773
          69
 Energy    -248.59213814630999     
  O     13.83537390      2.91163802    -10.98672745
  H     13.74890636      1.96278208    -10.83095841
  H     15.27785815      6.53899683    -15.36945992
  O     12.23002618      3.56567987    -13.17992424
  H     13.30776700      3.10756184    -11.77527167
  H     15.61897644      9.67887403    -10.20623515
  O     16.43930505      2.95022038    -12.06984100
  H     11.62861513      4.18471775    -12.74772923
  H     14.50250489     10.57142185     -9.60838140
  O     18.28925135      6.46038849    -14.05271856
  H     12.79220228      4.09079467    -13.76422794
  H     14.61273719      7.28324959    -12.32055395
  O     12.00598626      7.21519850    -13.78284799
  H     16.90131156      3.76999692    -11.85647539
  H     14.26837613      6.05954467    -11.42525024
  O     12.52273762      0.78006378    -13.59891937
  H     15.57582666      2.99578406    -11.63542857
  H     12.29252942      5.56391763    -10.58612436
  O     13.70417780      0.11725971    -11.04992869
  H     18.05464296      6.08542908    -13.18785498
  H     13.38231064      4.51464982    -10.23014282
  O     17.96102773      9.14864145    -13.06434852
  H     19.01463969      5.93991563    -14.38914436
  H     14.66542202     -0.15571539    -15.79090037
  O     17.27661652      9.32515052    -10.39836633
  H     12.58525465      6.63632375    -14.29186756
  H     13.93800812      0.52861309    -14.60914669
  O     14.03166019      5.27820068    -14.55626880
  H     12.57325635      7.91075309    -13.42056347
  H      9.96558776      5.87525260    -11.72787407
  O     15.66348569      9.76359259    -14.67228651
  H     12.76040152      0.48808225    -12.71019244
  H     11.22016351      6.29087834    -12.53553221
  O     15.95343293      7.21250433    -15.50057851
  H     12.28539875      1.71374757    -13.52312865
  H     16.48551113      5.85852415    -11.83702897
  O     14.65243084      9.76986318    -10.10220495
  H     14.56266242      0.05115641    -11.50695731
  H     17.58329304      5.88978753    -10.75113307
  O     14.83447691      6.35835861    -12.14848797
  H     13.64135546     -0.63463710    -10.46793301
  H     15.99509313      3.07781808    -13.87513963
  O     13.13237658      5.44431997    -10.12478519
  H     17.24057151      9.47895256    -13.61431898
  H     15.37867348      2.23093494    -15.00476788
  O     14.79911483      0.43396316    -15.05404040
  H     18.19433128      8.28741059    -13.42944044
  H     16.36006245      1.08113164    -12.31256407
  O     10.89001760      5.67867655    -11.85292930
  H     17.52527317      8.49439999     -9.97944649
  H     15.74092407      0.17569162    -13.39806457
  O     17.38159084      5.54569902    -11.62960085
  H     17.59002466      9.28558929    -11.31437140
  H     14.65822142      8.06915454     -9.16342370
  O     15.63289251      3.13119476    -14.77002031
  H     14.33777542      5.62933497    -13.70430013
  H     14.18692305      6.59698333     -9.09874505
  O     16.01551901      0.19160810    -12.47224935
  H     14.59522564      4.51392447    -14.76458340
  H     16.56486964      6.86475937     -8.93552165
  O     14.85380890      7.21166881     -8.76661369
  H     15.73979424      8.86969750    -15.05469927
  H     17.93827404      6.60552650     -8.27258215
  O     17.51570092      6.74941121     -9.11499061
  H     15.61051911     10.37396659    -15.40254144
  H     14.10879613      9.31974227    -11.79340879
  O     13.92486401      8.92910145    -12.65792070
  H     16.75730866      6.87590897    -15.08264845
  H     14.50790709      9.34066848    -13.30994163
          69
 Energy    -248.59197179151437     
  O     11.96249756     11.82985230    -15.81345760
  H     11.21275921     12.31380504    -15.47738952
  H     14.89895999     10.63127199    -12.45913142
  O     13.95911903     10.08777870    -19.93206582
  H     12.09161614     11.06330224    -15.22698004
  H     17.57562134      9.59081669    -15.07257892
  O     11.62531261      7.47273580    -16.95413172
  H     13.56977087     10.15370750    -20.79962324
  H     17.07232910      8.28867323    -14.33896706
  O     13.47394659      7.92482530    -10.42434690
  H     13.22291050     10.07852309    -19.29149313
  H     14.91822154      5.43435692    -11.20295404
  O     14.75936511     11.94647273    -16.04669944
  H     12.34325380      6.85536056    -17.13679984
  H     16.11465435      5.46163960    -10.22005801
  O     18.38356483     11.23226360    -18.17555998
  H     11.37976301      7.31591409    -16.03465204
  H     14.05596650      5.03759522    -17.81454754
  O     15.80285581     11.86864674    -18.71559486
  H     13.75847401      8.69268712    -10.93806633
  H     14.44378639      6.53412685    -17.82143038
  O     13.59051271      4.67865640    -12.06940115
  H     14.23659301      7.33492948    -10.38866308
  H     15.42406076      8.43172896    -12.78340588
  O     12.04446682      9.98793426    -18.06236674
  H     13.81526788     12.14634347    -16.02104984
  H     15.98728512      7.07678823    -12.28958681
  O     14.82224402      9.19402876    -16.07186218
  H     14.81557062     10.97779845    -16.09828145
  H     10.73265919      6.34120685    -10.71090736
  O     15.14829407      7.94372384    -18.57209020
  H     17.48457659     11.48863527    -18.45068119
  H     12.09333484      7.01728483    -11.00144209
  O     14.38277864      9.83591815    -12.27184800
  H     18.99044497     11.70788619    -18.73622434
  H     14.19795518      5.94459541    -15.44812022
  O     17.40795562      8.64341068    -15.17376968
  H     15.37157244     12.06495195    -17.87569877
  H     14.78292331      6.60528983    -14.14887822
  O     15.59633763      6.00857814    -10.80357012
  H     15.19360676     11.29976231    -19.20260954
  H     17.76021307      8.35185458    -16.99557505
  O     13.99430092      5.84258930    -17.30620570
  H     12.76595525      5.11035329    -11.81415573
  H     18.06472854      9.34415784    -18.12770989
  O     15.93722581      7.65818754    -13.05831327
  H     13.76155731      4.96023327    -12.97925758
  H     13.36487065      9.36460223    -15.02181853
  O     11.40661161      6.43780313    -11.37814829
  H     11.83049132      9.12324244    -17.68059098
  H     12.14107180      8.78167776    -14.26294384
  O     14.10110347      6.01263957    -14.49056492
  H     11.91302005     10.64353298    -17.37111714
  H     12.43670250      6.68606916    -14.25776939
  O     17.75203573      8.44739562    -17.95813796
  H     15.69629226      8.96808714    -15.72780309
  H     11.33184510      6.87504443    -13.19836682
  O     12.64236706      9.59339723    -14.41609589
  H     14.77483856      8.81661596    -16.95786906
  H     18.04921429     11.41151350    -16.31617526
  O     11.56671246      7.08869759    -14.10927604
  H     16.10146911      8.09166048    -18.46208599
  H     16.71200177     11.75827738    -15.65977774
  O     17.60183397     11.44205669    -15.45983493
  H     14.79746060      8.61618698    -19.16727366
  H     15.22271461     12.16859023    -14.09410201
  O     15.74962726     12.01571160    -13.30029641
  H     13.68970137      9.79699781    -12.94589460
  H     16.64664364     11.90412250    -13.63228527
          69
 Energy    -248.59187700871715     
  O     13.44686011      6.94362489     -7.82947737
  H     13.23683793      6.97644208     -6.90014930
  H     11.81251755      9.19136906    -16.85144000
  O     14.66132845      4.98322726    -15.25069165
  H     12.61859148      6.73416045     -8.29776157
  H     12.30102101      7.11546337    -15.46506184
  O     18.03054645      7.07675188    -13.94903645
  H     15.37554349      5.47074478    -15.67973795
  H     13.07275800      5.79396199    -15.11618417
  O     15.66447047     10.72906251    -14.39578243
  H     15.07666923      4.48172051    -14.54013118
  H     16.32986040      8.47671745    -11.84183524
  O     10.31410932      6.19672052    -12.89680514
  H     17.32647244      7.64520686    -13.60480165
  H     15.22339346      8.07744269    -12.84100124
  O     17.35884712      4.37318861    -11.01823175
  H     17.72044436      6.78748049    -14.81341159
  H     13.22130631      7.97151434    -12.27131213
  O     11.21146221      4.20425464    -11.04253642
  H     15.84784437     10.02135542    -13.75272701
  H     13.19990591      6.97952754    -13.48291626
  O     16.81576779      7.89919211    -10.19374629
  H     16.29144965     11.42658143    -14.22528772
  H     10.76783247      7.06930870     -9.74858089
  O     12.84019953     10.45373845    -14.14836046
  H     10.54120873      5.43017188    -12.35632146
  H     11.14102672      5.57878827     -9.73931437
  O     15.79885304      3.48700119    -13.05979519
  H     10.91693687      6.18922537    -13.65218423
  H     14.42830249      4.23770215    -12.09911383
  O     15.26857107      8.80684865    -16.46940213
  H     16.78245897      4.69387412    -10.31301176
  H     13.78066613      5.64872355    -11.94042927
  O     12.42290116      8.79385738    -16.23628797
  H     18.00708248      5.07236924    -11.16900898
  H     16.22911101      7.36510313    -16.47296287
  O     12.29555837      6.33288931    -14.89881399
  H     11.05557426      3.26656504    -10.96960139
  H     17.09786338      6.38741857    -17.29598677
  O     16.03227470      8.60279267    -12.75179433
  H     12.16041962      4.32099990    -11.22496315
  H     19.97451855      6.71552902    -11.46472278
  O     13.68083169      7.22697037    -12.68213092
  H     17.66866218      7.56325156    -10.49644396
  H     18.75118355      6.74444982    -12.41270248
  O     11.19549063      6.38765364     -9.21604702
  H     16.30947602      7.11930511     -9.92158390
  H     10.10827923      7.52148399    -11.79233408
  O     13.81841644      4.75614774    -11.56023849
  H     13.77190872     10.69872827    -14.20782212
  H      9.16993328      8.54950214    -11.11461575
  O     16.73406483      6.53289492    -16.42667523
  H     12.68359230     10.20733366    -13.22676451
  H     14.77566085      6.00253940     -8.74420326
  O     19.02642658      6.62009885    -11.48562781
  H     16.43191058      3.80047605    -12.38965235
  H     14.78808391      5.29363904    -10.11348658
  O     10.05495558      8.19597730    -11.09032035
  H     16.00621389      2.56945963    -13.21816221
  H     13.98178057      8.46880204     -8.83787774
  O     15.36412080      5.62340894     -9.40871032
  H     15.47673318      9.52367445    -15.85804184
  H     15.20064663      8.93121713     -9.64889597
  O     14.28092583      9.14591463     -9.45783630
  H     14.30548394      8.75692035    -16.49754016
  H     11.64148926      9.13109174    -11.29330297
  O     12.51123067      9.46270418    -11.54970731
  H     12.49593909      9.40383676    -15.47903250
  H     13.09336362      9.45067177    -10.77487430
          69
 Energy    -248.59177714362630     
  O     12.25720511     10.84609345    -15.33398664
  H     12.61839154     10.11865612    -15.86101594
  H     14.42086967      5.70080746    -15.83229943
  O     15.71471374      6.52946620    -13.11503536
  H     12.92765508     11.53662039    -15.34800019
  H     19.52195221      6.96859370    -13.85578103
  O     17.53122114     10.57479392    -12.14477389
  H     16.48209630      6.86330737    -12.63154964
  H     20.61695472      6.39243432    -12.94103664
  O     18.00761827     10.09421435    -14.84107881
  H     14.95628725      6.65362370    -12.52862395
  H     17.18786135     12.22068068    -17.38985508
  O     12.58071290      6.17467410    -15.89410632
  H     17.65290083     10.91690046    -11.24739317
  H     16.40156309     10.90342189    -17.19998351
  O     15.10330815      9.94327571     -9.12409084
  H     16.62098418     10.79680065    -12.38842496
  H     15.54226703      8.00915942    -14.12022878
  O     13.74080634      7.17421536    -11.24991639
  H     17.98586933     10.37815502    -13.91557547
  H     16.38305282      9.14364066    -14.78095417
  O     14.94532763     11.03068160    -13.04603716
  H     17.65721268     10.80110261    -15.39376904
  H     11.48381406     10.19936993    -13.91237359
  O     17.11861027      6.85226604    -17.38532383
  H     12.33216489      6.45594673    -14.99489185
  H     10.16697318     10.06284559    -13.11363427
  O     15.94976347      7.22750762     -9.48392224
  H     11.89098002      5.59106273    -16.19806877
  H     12.46878849      6.93391292    -12.63442117
  O     19.06383169      7.59615871    -15.42851387
  H     14.34854243     10.01239038     -9.72118313
  H     11.57336928      7.96230865    -13.35087651
  O     15.37383536      5.58911817    -15.73302758
  H     15.36356568      9.01377133     -9.13198803
  H     17.64919468      8.75127105    -11.74974063
  O     19.72261049      6.72107206    -12.93634477
  H     14.38786001      7.03925073    -10.54667868
  H     18.45253069      7.42283224    -11.94877361
  O     16.65430714     11.73840149    -16.76311953
  H     13.54382379      8.12285900    -11.24424823
  H     17.63038647     11.88662763     -8.76358818
  O     15.48303257      8.85112226    -14.58986341
  H     14.76515526     11.73965569    -13.67250474
  H     16.57492682     10.92446361     -9.33591517
  O     11.07849025      9.78324820    -13.13072824
  H     15.02762724     10.22118369    -13.57646679
  H     16.42189311      8.57025174    -17.76893329
  O     11.93010163      7.06847268    -13.42366559
  H     17.35348858      6.23625286    -18.07497891
  H     15.02483612      9.19293358    -17.63003828
  O     17.65721395      7.80675705    -11.54913775
  H     16.48516262      6.39008505    -16.80772590
  H     13.82507498     10.37989149    -11.81442975
  O     17.41035116     11.37903938     -9.53931066
  H     16.35676133      6.63501227     -8.85734081
  H     12.36008478      9.91951491    -11.75013766
  O     15.93579641      9.39666506    -17.88299130
  H     16.61785835      7.41613608    -10.16575808
  H     14.43235329     13.64136737    -15.40732481
  O     13.18673453      9.91517468    -11.25246578
  H     18.46204587      7.28220796    -16.11238751
  H     15.23473221     12.38803579    -15.82041834
  O     14.49551337     12.69847962    -15.27384314
  H     18.82012539      8.51861625    -15.26757639
  H     13.15748908      7.85640882    -16.49433361
  O     13.56938414      8.72525641    -16.56598918
  H     15.56137464      5.74306765    -14.79717613
  H     14.24922644      8.75537836    -15.87215228
          69
 Energy    -248.59152866098654     
  O     12.02428800     10.22704836    -16.12805707
  H     11.60455449      9.58907874    -15.52786266
  H     18.35011210     10.37830548    -12.53751291
  O     15.69830727      8.33735496    -13.45107888
  H     11.76766397     11.10951475    -15.82993947
  H     16.30800600     11.11407378    -16.87369009
  O     15.47707225     12.05993633    -11.55619111
  H     15.20451784      9.04600142    -13.89254108
  H     17.50240934     10.93805844    -15.93088336
  O     17.00767453     13.02673590    -13.78329486
  H     16.23066144      8.75119865    -12.75884445
  H     13.70185721     10.27539920    -15.35215243
  O     14.06120024      6.81756810    -16.52706127
  H     14.57710298     11.95771098    -11.89996214
  H     15.18975986     10.76704782    -15.27808851
  O     12.36838946      9.56743131     -9.00124193
  H     15.98513820     12.49414105    -12.25177684
  H     11.15030340      8.74981855    -13.41595890
  O     13.64454597      7.01134382    -12.21186279
  H     16.83732527     12.57815150    -14.62775965
  H     11.39462848      7.58354011    -14.39876114
  O     13.03900263     11.53673801    -12.74737805
  H     17.18950854     13.93949516    -13.99612269
  H     16.91299971      8.28883030     -8.22130438
  O     16.67123540      7.88801788    -16.01624316
  H     13.69729130      7.43443416    -17.17381123
  H     15.65102566      8.14180893     -9.10693544
  O     14.14843681      7.34936732     -9.46797681
  H     14.99417176      7.04266864    -16.43111921
  H     12.08867316      5.12839458    -14.76370307
  O     18.87379855      9.67509832    -15.65649155
  H     11.84621887      9.79843871     -8.23790910
  H     13.03349727      6.25487511    -15.24162546
  O     18.84084699     10.85347926    -13.22265137
  H     13.15170779     10.14606987     -8.99176765
  H     16.45631786     10.51681713    -11.45691064
  O     16.72213531     11.48905903    -16.08030482
  H     13.19833368      6.52252220    -12.91364139
  H     16.93356769      9.32514164    -10.57994724
  O     14.46233043     10.39348795    -14.76761928
  H     14.42266954      7.41622226    -12.62382977
  H     15.36183844     10.31142796     -8.88282508
  O     11.00798378      8.46506279    -14.32754218
  H     12.59716880     10.77358506    -12.35005745
  H     14.98072731     11.50540787     -9.78409352
  O     16.42609484      8.70453290     -8.92719967
  H     13.59055040     11.18091481    -13.46334277
  H     14.77097825      9.55636512    -18.16579999
  O     12.42637499      5.98829309    -14.52802701
  H     16.35663901      7.92144060    -15.10021880
  H     15.99002151      9.10560703    -17.34182299
  O     17.01615201      9.72638947    -11.45336471
  H     17.52282389      8.34082007    -15.99397708
  H     11.93587448      9.33146492    -10.78766890
  O     14.69064155     10.99201374     -9.02035065
  H     13.98141663      7.08486196    -10.38287982
  H     12.54947825      8.44799170    -11.89945760
  O     15.66341253      9.81609715    -17.91112007
  H     13.45111536      7.97516683     -9.23713713
  H     11.95820322     12.36691893    -14.00977641
  O     11.94707625      9.18995667    -11.74238790
  H     19.74756290      9.70439545    -16.03762120
  H     10.74886430     13.15383501    -14.53790947
  O     11.48277657     12.61259251    -14.81860316
  H     18.95282892     10.01502824    -14.74737585
  H     12.40348039      8.81870408    -18.97888659
  O     13.01139788      8.85412614    -18.24536269
  H     18.37705752     11.69150663    -13.33298772
  H     12.58484041      9.38613703    -17.55078156
          69
 Energy    -248.59145809051512     
  O     12.19049292     12.35900811    -14.40133199
  H     11.40002389     12.88911056    -14.34714740
  H     17.42428093      6.34220671    -16.39380770
  O     18.69789578     11.47041095    -12.43492126
  H     12.14828977     11.71687719    -13.66921207
  H     16.11879676     13.15181752    -18.06447516
  O     17.65824027     10.18879707    -16.69033875
  H     18.99083777     12.37695787    -12.47985086
  H     15.61052844     12.57605164    -16.72444894
  O     12.86065788      7.94392497    -13.98861596
  H     17.76406298     11.46129258    -12.71041429
  H     15.31024235      8.48215172    -15.28939555
  O     16.01992132      9.87651437     -8.77000194
  H     16.90274354      9.86633959    -16.17164806
  H     14.66043600      9.85581682    -15.47234467
  O     14.99910398      7.72326078    -12.18234091
  H     17.32661675     10.98373328    -17.12046361
  H     12.91060267     10.41579615    -11.94102025
  O     16.09526199     11.24809553    -13.19371774
  H     13.51952356      7.86085173    -13.28280557
  H     12.19082101      9.51202546    -12.96208446
  O     17.54490403      7.53471826    -17.65268008
  H     13.22135701      7.39117070    -14.69508256
  H     18.20205340      7.12122278    -11.77170253
  O     15.90674436      7.12187626     -9.65740912
  H     16.89178803      9.93330164     -9.20266000
  H     19.27521934      6.53318443    -10.82830259
  O     14.86247379      7.62753970    -18.58329146
  H     16.12113998     10.23800978     -7.89410633
  H     18.70428678      9.74933709    -15.18577887
  O     14.59326681      6.79514424    -15.89120714
  H     15.17302971      7.37860885    -11.29355984
  H     19.04902536     10.12301092    -13.72234517
  O     17.20737145      5.70976904    -15.68391061
  H     15.82329679      7.62939791    -12.67737718
  H     17.44721989      6.66345911    -14.11713463
  O     16.00430688     12.33701571    -17.58239905
  H     15.54901521     11.02865058    -12.42660986
  H     18.03853554      8.05029752    -13.73599417
  O     15.48266279      9.42637828    -15.20124544
  H     15.96631580     10.53985486    -13.84134244
  H     18.53263252      8.94896563    -10.37056734
  O     12.16279651     10.38510782    -12.55394805
  H     16.68711291      7.55829660    -18.09664997
  H     18.56337649     10.41479595    -10.87115745
  O     18.52256000      7.11848317    -10.85410501
  H     17.75006264      8.45198619    -17.43105577
  H     13.59238537     10.21029577    -17.56423013
  O     18.99530777      9.38411639    -14.34007638
  H     15.86938929      7.97694383     -9.21118393
  H     14.81311799     10.94977817    -18.16015445
  O     17.51575817      7.30438061    -13.40017234
  H     16.82741681      7.01079304     -9.92810494
  H     14.72415323      9.36798231    -11.51255481
  O     18.37190933      9.86292988    -10.10367827
  H     14.64157479      8.57546507    -18.54248058
  H     14.95528206     10.23398228    -10.25130063
  O     14.19646152     10.22609387    -18.32054422
  H     14.47178716      7.29039251    -19.38482902
  H     15.36603781     12.45216411    -14.42003356
  O     14.56298585     10.24601620    -11.13226798
  H     15.38378671      6.25864546    -15.75597910
  H     13.96371526     12.83498697    -14.91804608
  O     14.89904668     12.88110968    -15.14908755
  H     14.58301106      7.03103914    -16.82901207
  H     12.71121378      9.35140102    -15.26361296
  O     12.83523486     10.06978302    -15.89844630
  H     17.58496686      4.87161389    -15.93576616
  H     12.52932370     10.88113024    -15.47399894
          69
 Energy    -248.59121079985164     
  O     -2.89647728      3.91599033      3.14541565
  H     -3.06426797      3.55535090      4.02464719
  H     -2.64359601     -2.25275622      1.71183430
  O     -2.42653595      2.08139636      1.17940198
  H     -2.06283891      4.39695084      3.21651559
  H     -1.71819179     -5.07529404      3.99209354
  O     -2.96657046      2.82478715      5.79742105
  H     -2.61673716      1.21276551      1.55718673
  H     -1.87488195     -3.85390552      3.05520025
  O      2.16327742     -2.89495014      0.79793453
  H     -2.71619575      2.74872433      1.81903450
  H      0.31417211     -1.45514153      2.23052029
  O      2.08257629      0.63095367     -1.53806654
  H     -3.40196971      3.15591273      6.57803342
  H      0.64136627      0.04370364      2.04538158
  O     -0.41442415     -0.60425885     -0.95516416
  H     -2.02832855      3.08273139      5.86472976
  H     -1.15415733      0.51503487      4.86377442
  O     -2.62749861     -0.44909615      2.32446292
  H      1.89019339     -3.02431152      1.71728605
  H     -2.53019282      1.08112191      5.28411285
  O     -1.96082678      1.69486925     -1.48162317
  H      1.38214640     -3.10136387      0.27244799
  H      1.21843388     -2.45008271      4.15122297
  O      0.64442398      2.99964236     -1.36208268
  H      2.64262192      0.30989246     -0.82264878
  H      0.18003047     -3.38949564      3.49358198
  O      3.42879305     -0.45246253      0.75864281
  H      1.26856318      0.11453458     -1.47283519
  H     -0.44696030     -2.35795619     -0.84570930
  O     -1.34981070     -2.22007211      5.97797964
  H     -0.24255644     -0.54473194     -0.00228336
  H     -0.52827479     -3.82025532     -1.33913251
  O     -2.40013961     -3.17574284      1.56032814
  H     -0.99516135      0.12818904     -1.19417865
  H     -0.17588256      3.97244595      4.93914760
  O     -1.46708186     -4.16196493      3.88437824
  H     -1.68357182     -0.52371827      2.10658281
  H      0.13056281      2.57984311      5.53928577
  O      0.02365787     -0.64944705      1.78422323
  H     -2.64250111     -0.23627920      3.26767303
  H      1.48679421      1.91991362      2.01838065
  O     -2.09226953      0.29040480      4.94685394
  H     -2.21257496      1.89801025     -0.56412680
  H      2.54712921      0.75806265      1.89646582
  O      0.95424749     -2.84129194      3.30970365
  H     -2.72286877      1.88428264     -2.02293751
  H      0.35470729     -1.90664923      6.02276507
  O     -0.40837125     -3.28638833     -0.55714237
  H      1.25497878      2.26024977     -1.50549932
  H      1.76955243     -1.97230725      6.65400156
  O     -0.32653701      3.41419053      5.71252002
  H     -0.22961847      2.66607766     -1.59497779
  H      1.20276596      1.04660436      4.13805793
  O      1.94674843      1.21545941      2.49931401
  H      4.36759157     -0.62104175      0.72987403
  H      0.99449302      0.07965250      5.33340855
  O      1.29388545     -1.68503171      5.87951138
  H      2.99259092     -1.32209287      0.74441361
  H      0.05273763      4.29106556      2.56019367
  O      0.67980631      0.90206470      4.93899857
  H     -1.53075737     -2.88655533      5.30343857
  H      0.17793545      5.75030042      3.04980618
  O     -0.18383919      4.89838596      3.28091798
  H     -1.76701272     -1.39919717      5.68226885
  H     -0.65179776      2.64351285      1.33446447
  O      0.23549922      3.02604696      1.31601083
  H     -1.77499549     -3.19793733      0.82623089
  H      0.47091181      3.13236772      0.38169431
          69
 Energy    -248.59111192792585     
  O     14.82935274     11.95856663    -12.13981345
  H     15.05429281     11.48799026    -12.95003905
  H     18.83439491      9.79604533    -12.60655077
  O     14.57356433      6.46841560    -14.47574309
  H     15.52746182     11.75296828    -11.50580475
  H     17.05268387      8.11645416    -12.97990061
  O     16.67994871      6.08784633    -10.02707890
  H     15.15589487      6.94927240    -13.86562909
  H     15.88148114      8.27582942    -11.97209837
  O     18.88087546      8.01291619    -13.11620040
  H     14.77700770      5.52966276    -14.39727081
  H     13.15328452     11.68911271    -11.78931287
  O     12.24787055      6.30327295     -9.72903133
  H     16.33538337      6.98999105     -9.98083335
  H     11.73420261     12.17374938    -11.40160682
  O     12.28359111      7.46144349    -13.30845982
  H     15.92733612      5.51038433     -9.85389146
  H     14.09399224      3.69066194    -12.73313251
  O     15.56710277      8.63442265    -10.22720595
  H     18.87013926      7.71306002    -14.03498640
  H     13.83624392      3.92358144    -11.22196051
  O     11.13357158      5.18790772    -12.12364315
  H     18.98590933      7.23253430    -12.55550225
  H     12.27066354     10.60874312    -13.45626965
  O     18.44751067      7.00064179    -15.69931679
  H     12.42369464      7.22222630     -9.96905256
  H     12.30509590      9.18442287    -14.03418276
  O     16.00119419      8.05798453    -16.28333957
  H     11.72379436      5.94020487    -10.45418230
  H     19.50157046      5.27017592    -11.03950429
  O     17.81656279      4.72880920    -14.05738421
  H     13.04318036      7.08136144    -13.77363471
  H     18.04969889      5.80467056    -11.01098025
  O     18.59494192     10.70459471    -12.38360539
  H     11.76542983      6.71889827    -12.97569432
  H     15.27841623      3.08505506    -14.83070713
  O     16.09098596      8.14976914    -12.90569215
  H     14.61629799      8.74918056    -10.36850726
  H     16.23651653      4.04868721    -14.09459837
  O     12.22880096     11.40436199    -11.66878983
  H     15.97818594      9.50657768    -10.17360533
  H     13.61435321      5.23012821     -9.52019387
  O     13.40340896      3.71926485    -12.06050070
  H     10.37540780      4.63017129    -12.27304383
  H     14.23493710      4.06286052     -8.72081292
  O     12.52375330     10.10416545    -14.23823780
  H     11.91984342      4.61220749    -12.15695754
  H     17.41203816     12.58535247    -15.15481424
  O     18.82870393      5.67200095    -11.58205595
  H     19.00286117      7.02530829    -16.47424050
  H     16.73652752     11.25532894    -14.79308542
  O     15.30797877      3.76227455    -14.15954392
  H     17.59720154      7.39920362    -15.95411633
  H     12.57857572      9.68739894    -11.03890649
  O     14.34091554      4.58131168     -9.51461216
  H     15.76235060      8.92515060    -15.94041148
  H     12.73552005      8.32270572    -11.74794162
  O     17.58531504     11.72411619    -14.78138955
  H     15.40254633      7.44040175    -15.83873079
  H     17.53669199     10.97311232    -11.06977606
  O     12.88721032      8.78258135    -10.90911105
  H     18.04840039      5.43763874    -14.66914451
  H     17.29941828     11.62845761     -9.68738317
  O     16.87245199     11.11866900    -10.37025623
  H     18.18065475      4.97698776    -13.19829171
  H     14.27609504     10.23870353    -14.52168270
  O     15.24478792     10.26059941    -14.49203459
  H     18.34388931     11.12874203    -13.21584909
  H     15.53609030      9.53494333    -13.91873013
          69
 Energy    -248.59102464188823     
  O     11.81854364      8.23527145    -11.56012601
  H     12.04053321      7.48744443    -10.99437806
  H     15.02952578      7.63009006    -15.43765085
  O     12.96967806      5.67642361    -14.78501298
  H     12.38105759      8.96274346    -11.26001418
  H     16.74462425      4.31307520    -13.25971860
  O     14.19504105     11.66987587    -13.09199967
  H     12.41051807      6.45821162    -14.70644457
  H     16.38342668      2.89763814    -12.78326173
  O     14.93839679      7.34561092     -8.70233936
  H     13.31823314      5.52798396    -13.89386489
  H     13.57966859      6.55478780     -9.41864185
  O     17.47179490      9.97235472     -9.40686713
  H     14.02486395     11.26228481    -12.23080327
  H     12.35145734      5.64024424     -9.19724454
  O     11.72569334      8.23913819    -14.27254926
  H     14.06786774     10.96016487    -13.73074291
  H     18.75848984      7.35703358    -16.39619050
  O     16.69681724     12.53866750    -13.65755777
  H     15.85107138      7.18270472     -8.96969315
  H     20.16922625      6.71801225    -16.40572666
  O     13.83831232     10.04708881    -10.86203326
  H     14.89310362      8.28240391     -8.47565537
  H     13.39713059      8.92347416    -14.62342273
  O     17.89837887      7.25216543    -12.22754303
  H     17.67995572      9.03148698     -9.40564812
  H     14.68289763      8.84968128    -13.75468782
  O     17.36795983      8.11653092    -17.12439041
  H     17.77158812     10.32777540    -10.25604686
  H     14.85365566      4.88002941    -12.22444587
  O     17.40430304      5.56835672    -14.41046712
  H     10.86364339      8.53680245    -14.55074457
  H     13.69281320      5.55981006    -11.40080991
  O     15.27566619      6.76080435    -15.77571554
  H     11.71182590      8.21415442    -13.29850313
  H     17.80436157      7.08081469    -10.47276752
  O     16.29187091      3.82038184    -12.55699770
  H     16.73287186     13.48619819    -13.75595477
  H     18.33627284      6.52358254     -9.13496665
  O     12.83416569      6.11581311     -9.86755597
  H     15.78360705     12.31547813    -13.40240441
  H     15.93460543     10.18904810     -8.69887372
  O     19.44331462      6.95072262    -15.83338379
  H     14.15828254     10.19007140     -9.96366900
  H     15.02542864     10.74604927     -7.57414278
  O     14.32615920      9.18941883    -14.59339678
  H     14.40390277      9.36325080    -11.25305727
  H     19.31372128      8.41349017    -14.58835143
  O     14.15395909      5.54734642    -12.24885555
  H     18.33505687      7.96194493    -12.71739873
  H     18.21451352      9.49204896    -14.47495881
  O     17.67851674      7.10428959     -9.50960524
  H     17.70803102      6.56381718    -12.87773088
  H     16.18668379      7.94149127    -12.20524572
  O     15.02702436     10.17862621     -8.33916327
  H     16.60766826      7.57189515    -16.87909479
  H     14.81081645      7.22889828    -12.26683395
  O     18.95717647      9.09022494    -14.00079181
  H     17.21489626      8.97926491    -16.71772765
  H     18.71514819     10.35068751    -12.55049283
  O     15.23906839      8.09721783    -12.28163511
  H     16.63803024      5.94469591    -14.86846286
  H     17.74295424     11.52801386    -12.41116867
  O     18.26255938     10.89741838    -11.89837804
  H     18.18548368      5.87837384    -14.88419951
  H     16.84963966     11.15016155    -14.91730639
  O     16.79785994     10.29407128    -15.36201239
  H     14.49628280      6.21325231    -15.60002227
  H     15.91211586      9.95506290    -15.17421115
          69
 Ord_Energy   -248.590973    
 O    6.70023203       2.56665015       1.64911282    
 H    5.84507418       2.55680847       2.09120822    
 H    7.05145073       3.46653056       1.70634496    
 O    3.93260694      0.856627166       6.06950708E-02
 H    3.31305504      0.871884048     -0.678309619    
 H    4.80388117       1.01110923     -0.325609952    
 O    1.33592904       5.79062462      0.366756439    
 H   0.515187740       6.19166040      0.637529671    
 H    1.79384863       6.44022655     -0.201512605    
 O    2.32431483       1.25197279      -2.25764608    
 H    1.53390992      0.881220818      -2.64057207    
 H    2.11813664       2.17207551      -2.01429820    
 O    5.53380871       6.95480442       1.62215829    
 H    4.80730486       6.34201193       1.79472840    
 H    5.39652395       7.33390522      0.742293954    
 O    5.39026690       8.09680939     -0.927500963    
 H    5.66495275       7.42752647      -1.57134366    
 H    6.12928724       8.70733929     -0.817479193    
 O    2.11700940       3.85119033      -1.52713859    
 H    1.65934026       4.41258621     -0.890629888    
 H    3.06339550       3.96475720      -1.34555185    
 O    9.72183514       6.96958447       2.24867892    
 H    9.83652306       7.23606014       1.31812203    
 H    10.5902615       6.95079756       2.64065576    
 O    4.97568607       4.55386877      -4.67991018    
 H    5.20708990       4.40428448      -5.59268951    
 H    4.92493773       3.67790699      -4.25878048    
 O    8.67230892       2.72269106      -2.18693686    
 H    9.55899620       2.49534845      -2.45380116    
 H    8.70822716       3.64284348      -1.87978601    
 O    6.37196875       1.93538725     -0.949115515    
 H    7.19432354       2.11125875      -1.42898500    
 H    6.57473373       2.05806518      -6.26590988E-03
 O    3.63663960       4.96108246       1.73623490    
 H    2.76979780       5.19713879       1.37936711    
 H    3.60379601       4.05046844       2.05829191    
 O    2.66188073       7.42009878      -1.29678357    
 H    2.66877508       6.98832464      -2.16378975    
 H    3.53950357       7.79712677      -1.16698766    
 O    9.73847866       7.65990686     -0.381488144    
 H    9.08158684       8.35779858     -0.493864536    
 H    9.37992477       6.87405205     -0.815985620    
 O    4.75418377       4.27203178     -0.746486247    
 H    4.50296831       4.50273466      0.156465501    
 H    5.30310535       3.47852540     -0.726225019    
 O    3.88719177       2.27281189       2.38876557    
 H    3.64304399       1.69643641       3.10829926    
 H    3.83559895       1.74005997       1.57531226    
 O    7.51811838       8.81390476       2.31364250    
 H    6.75656605       8.21900177       2.26083493    
 H    8.28443432       8.24870586       2.47072554    
 O    6.05844259       5.91277266      -2.48151994    
 H    5.80888271       5.58213949      -3.35156655    
 H    5.55210304       5.37795353      -1.84770668    
 O    4.80123043       2.14224505      -3.39308190    
 H    3.95850563       1.75131953      -3.13283372    
 H    5.39824152       1.99405360      -2.65102768    
 O    2.61255360       5.79164076      -3.57066202    
 H    2.30932522       5.06312752      -3.01427555    
 H    3.37814164       5.44724512      -4.04448938    
 O    7.65802526       9.65164185     -0.275445968    
 H    7.61219501       9.45182419      0.677102208    
 H    7.79004669       10.5930290     -0.353098899    
 O    8.43142414       5.30073404      -1.21237242    
 H    8.14839554       5.19996643     -0.292258263    
 H    7.65312099       5.56028795      -1.72678280    
 O    7.66924858       5.19114780       1.49705696    
 H    6.91209412       5.79268408       1.54366362    
 H    8.41909218       5.66717005       1.87527359    
          69
 Energy    -248.59092276876362     
  O      3.76357008      5.15294894      3.48820175
  H      2.97027660      4.61357987      3.33892742
  H     -0.94075491      6.73987808     -0.07050833
  O      0.15076613     10.26790280      4.58858399
  H      3.84082160      5.73077043      2.72350012
  H     -0.17880701      4.66497954      0.49586029
  O      0.44077286     10.16687142      1.82220986
  H      0.09395204     10.97562899      5.22439328
  H      0.26125835      3.61681157     -0.55213827
  O     -1.61301311      8.02781493      4.36114002
  H      1.04026006      9.87643467      4.68002719
  H      0.80768307      6.28520085     -3.51807333
  O      3.16609289      4.12583366      0.20958379
  H      0.27347010     10.33050784      2.75838777
  H     -0.12300156      5.15035895     -3.05313000
  O      4.04919884      9.25000709      2.29237321
  H     -0.40765245     10.07041710      1.36210035
  H     -2.35477358      8.99079713      0.95482435
  O      2.67531362      6.81822704     -3.40672449
  H     -1.09636813      8.83142249      4.49457409
  H     -1.45144694      9.09673498     -0.29832932
  O      3.41347450      6.75809302      1.04014844
  H     -1.00781674      7.29661387      4.54501280
  H      3.16393745      4.08800942     -1.68407220
  O      0.46876165      6.15353951      4.47483679
  H      3.53979594      3.52922094      0.85620020
  H      2.92919640      5.00722306     -2.90683207
  O      0.27167842      3.35774790     -2.41254139
  H      2.20015444      4.05633452      0.29654081
  H      3.36668632      6.03459961      4.96369691
  O      1.36005170      3.82676718      3.08606251
  H      3.69909802      9.85623382      1.62942474
  H      3.44193354      6.23223643      6.49510370
  O     -1.11730609      6.17058435      0.69403897
  H      4.05199965      8.38397808      1.86735571
  H     -0.44600840      7.31097916     -2.09077191
  O      0.41839505      3.91634225      0.35235312
  H      3.14436444      7.29222110     -4.08941617
  H      0.53736259      8.10311293     -1.19672509
  O     -0.11611213      6.07305842     -3.33402324
  H      2.63402526      7.40790800     -2.63661640
  H      2.79001124      8.32090243      5.09401631
  O     -1.82296873      9.60618481      0.43503096
  H      2.54465566      6.93330823      1.44354142
  H      3.15185888      9.23520123      3.89545616
  O      2.88179034      4.09025829     -2.60793814
  H      3.39813658      5.86011730      0.68308288
  H      2.63774603     11.67795181      0.09106799
  O      2.99713819      6.53900367      5.70965495
  H      0.70253501      6.63196640      3.66365985
  H      1.80402094     10.61122764      0.84211054
  O     -0.39749599      7.90080190     -1.32331257
  H      1.22253833      6.26219478      5.06739540
  H      0.23731094      6.96689411      1.58233575
  O      2.59527873      9.17117991      4.68431302
  H      1.21889242      3.53586827     -2.55545934
  H      0.82712699      8.34789289      2.00441159
  O      2.59127294     10.74537601      0.28392366
  H      0.05597681      2.58155910     -2.92298550
  H      2.52659699      9.22733757     -0.76825165
  O      0.97661272      7.39485903      2.03461801
  H      0.90110630      3.72911829      2.24468668
  H      2.82597757      7.75493310     -0.41922024
  O      2.43797309      8.32348249     -1.09757079
  H      0.86776983      4.48512181      3.59499987
  H     -2.57155043      7.77937497      2.94268547
  O     -3.04296677      7.61542077      2.10578414
  H     -1.86937431      6.54574039      1.16940439
  H     -3.96093267      7.48583185      2.32743476
          69
 Energy    -248.59089486499295     
  O      6.93179772     11.61967425     -5.15383468
  H      7.14151528     12.48008688     -4.77116900
  H      2.31631641     12.65942485     -0.39411784
  O      3.08416755      8.17366453     -0.12699786
  H      7.55239512     10.98472625     -4.77493531
  H      7.23124990      9.83520373     -1.09717281
  O      4.32019589     13.91701648     -4.86898493
  H      2.77469669      9.09426513     -0.17414618
  H      8.24203183     10.25032795     -2.17689179
  O      3.86987191      8.31084115     -5.07437084
  H      2.71864578      7.80075032      0.67090589
  H      4.87822967      8.43977798     -0.73985613
  O      6.87741621     14.14297516     -3.84066349
  H      4.26639577     13.00827766     -5.18177846
  H      5.23206641      9.61698975     -1.66208143
  O      4.47223241     11.14387117     -2.28486523
  H      3.60158361     14.03259612     -4.22918791
  H      7.27735647     17.69161062     -3.81563148
  O      0.37975942     10.10013110     -2.65740326
  H      3.29979279      8.16426415     -4.29836628
  H      5.98528609     16.94533174     -4.22631141
  O      4.28720941     11.06903800     -5.12179469
  H      3.55859825      7.72381279     -5.75871487
  H      6.74250065     13.31220477     -2.25883009
  O      2.15113142     14.25812723     -3.19297689
  H      7.04403289     15.08787288     -3.74707134
  H      7.09441499     12.08626103     -1.33687505
  O      1.55569538     11.79438779     -4.37774059
  H      5.97418257     14.07138284     -4.18837450
  H      7.80576431      8.96837079     -3.95183710
  O      2.51019263     17.04897805     -3.16136751
  H      5.13790743     11.79429633     -2.02413007
  H      9.30471593      9.17373245     -4.27972675
  O      2.40281409     13.60723976     -0.55082526
  H      4.40662986     11.15250319     -3.24590748
  H      1.55295984      8.64525618     -2.86289222
  O      7.89615390     10.50244413     -1.31136810
  H      0.75125922     10.71324432     -3.31832549
  H      2.58336640      7.89623684     -2.00074748
  O      5.60095148      8.81981383     -1.25015749
  H     -0.56851381     10.14751598     -2.73881668
  H      4.44463716     15.77074499     -5.30777073
  O      6.73078306     16.94134775     -3.59845472
  H      5.24570806     11.21014804     -5.21288316
  H      3.75724772     16.96182252     -4.62434211
  O      6.50763336     12.85000445     -1.44206368
  H      4.13008479     10.11952739     -5.20615946
  H      5.60002741     13.87964841     -0.36877786
  O      8.52751235      9.62353865     -3.95961708
  H      2.21697535     14.02248360     -2.25461177
  H      5.41507742     14.52928183      1.02190380
  O      2.27631181      8.00636514     -2.90733989
  H      2.10368309     15.22043348     -3.23512002
  H      6.14312629      8.09590115     -2.85928265
  O      4.51516268     16.72553162     -5.17450060
  H      2.40858525     11.55155157     -4.75240225
  H      5.59991073      8.00890687     -4.29761529
  O      5.03166814     14.47461316      0.15006630
  H      1.65762542     12.68666123     -4.01610810
  H      3.03530525     10.93586027     -1.25895030
  O      6.40941636      7.95148722     -3.77856113
  H      1.96822596     17.77063845     -2.85492747
  H      1.52381376     10.58856632     -1.26166481
  O      2.27624378     10.75740185     -0.67889458
  H      3.24745808     16.96141238     -2.52884566
  H      5.47795632     16.78919188     -2.12642391
  O      4.68651272     16.72718250     -1.57823292
  H      3.26820680     13.87227471     -0.21559856
  H      4.82000822     15.99246051     -0.96798516
          69
 Energy    -248.59081728409012     
  O     -9.15771800     -1.85232788      5.26466573
  H     -9.39514982     -1.10257584      5.82536688
  H     -3.00413175      0.01508711      1.86096000
  O    -10.81356839      0.57197827      1.97881171
  H     -8.24133740     -2.08062663      5.45690350
  H     -7.49479415     -0.26352820      2.93099555
  O    -10.25615442     -2.10087060      2.82398191
  H    -10.71991140     -0.35272560      2.23534074
  H     -6.98994001      0.44460663      4.23807149
  O     -5.46027964      0.96931247      0.05292061
  H    -10.61949035      1.08792848      2.77479540
  H     -5.97247488     -2.54081185      4.71589894
  O     -6.08258299      0.25019426      5.84296438
  H     -9.89625984     -2.01907184      3.72715266
  H     -6.00653789     -3.26766615      6.08262953
  O     -3.38316019      4.62904628      1.92681883
  H    -10.86387945     -2.83509884      2.83734370
  H     -0.49663407      0.65702869      1.41482938
  O     -9.97239468      0.43943575      6.74137016
  H     -6.07882581      0.39269312     -0.40643237
  H     -1.44487868      1.57454146      2.22501802
  O     -5.39832405     -2.39434198      3.09613234
  H     -6.01768604      1.59026327      0.54600249
  H     -8.58130708      3.33479408      4.75380389
  O     -3.17894973      2.65812527      0.04573807
  H     -5.28232470      0.61416845      5.43776083
  H     -7.13582946      3.87831687      4.61959475
  O     -9.80176688      1.79652027      4.24892651
  H     -6.02258046     -0.71219248      5.86629554
  H     -8.61897695     -1.92501015      2.00969292
  O     -7.80244335     -0.44694726     -0.81849988
  H     -3.33701924      3.98083670      1.20168190
  H     -7.76354189     -1.34520410      0.83904398
  O     -3.91545148     -0.22233690      2.07438595
  H     -3.14330849      5.47437197      1.55637254
  H    -10.03163489      1.23771563      0.62469264
  O     -7.46031907      0.57555620      3.40540449
  H     -9.20075103      0.97223414      7.00999645
  H    -10.10314206      2.21409382     -0.57619062
  O     -6.35812754     -2.51777270      5.61072885
  H    -10.59888895      0.48507194      7.45806035
  H     -7.79910181      2.69719596      6.67579680
  O     -1.40578235      0.93155216      1.49377646
  H     -4.78046273     -1.72179807      2.78216612
  H     -7.11204163      1.33546949      6.88369709
  O     -7.89235172      3.82710790      5.21545598
  H     -6.18691677     -2.30241166      2.54360448
  H     -2.54588469      2.32880958      3.95084077
  O     -7.72071183     -1.69489014      1.73642061
  H     -2.49883702      2.06405905      0.38779108
  H     -2.23322329      3.52078571      3.03621649
  O     -9.51907334      1.62064371     -0.11205836
  H     -3.95200368      2.10352730     -0.11834237
  H     -4.16125130      0.89519212      3.52457437
  O     -7.79247758      1.91794232      7.25014577
  H     -8.99560649      1.33648120      3.96733542
  H     -4.75814776      2.25324967      4.00866420
  O     -1.82822469      2.75505581      3.46181205
  H    -10.02615713      1.41386795      5.10618073
  H     -8.08660938      2.37107819      0.94136459
  O     -4.21307121      1.49962586      4.27847786
  H     -8.42168606      0.28027340     -0.64230879
  H     -7.34925401      1.80732935      2.18447312
  O     -7.28961797      2.46748171      1.47237022
  H     -8.05874033     -0.83211981     -1.65318125
  H     -6.24846664      3.42938015      2.61295231
  O     -5.66614423      3.72059368      3.32906305
  H     -4.46624674      0.12957059      1.36165737
  H     -4.91952804      4.16484603      2.90760682
          69
 Energy    -248.59066777036784     
  O     15.37072261      9.59194093    -16.09908605
  H     15.99355260      9.20792306    -15.46479786
  H     16.10043551     10.39078981    -17.46140945
  O     14.50135294     12.01041684    -14.57115770
  H     14.85031952     10.22942995    -15.60029726
  H     20.44003316     16.42240796    -14.16102391
  O     20.65815554      9.86954609    -11.24758033
  H     15.46220736     11.96919862    -14.43586064
  H     19.37699498     16.05034644    -13.10787058
  O     20.96141947     12.30355644    -12.44286257
  H     14.10936241     11.53969787    -13.82258473
  H     19.98128631     11.83603234    -15.68931225
  O     13.79797916     10.50044784    -12.37526369
  H     20.85974693     10.75592009    -11.59518997
  H     21.37752406     12.39303023    -15.31728246
  O     17.93889505     10.47260033    -10.63104949
  H     21.42825713      9.58211634    -10.76389226
  H     16.65475749      9.46291748    -11.14828151
  O     17.17461594      8.90427133    -14.09531944
  H     20.86532895     12.08672282    -13.38264279
  H     15.89996673      8.12452441    -10.95053405
  O     14.71747019     13.02333539    -17.19310469
  H     21.50552729     13.09832087    -12.38025152
  H     15.20872593     14.65552491    -16.98122615
  O     18.21000518     14.98988510    -16.19461102
  H     14.52282541      9.93121375    -12.07877884
  H     15.01212804     16.16906826    -17.24501908
  O     22.35816293     14.69954320    -12.51742689
  H     13.24757213     10.64349843    -11.60829659
  H     19.75944351     15.80455082    -16.17771995
  O     18.36532123     12.25912132    -16.48414618
  H     17.93881068     11.39338611    -10.92541887
  H     20.74922500     16.85791086    -16.72891099
  O     16.48736496     10.97377786    -18.13995055
  H     18.84823280     10.16739853    -10.73668018
  H     17.96189103     15.07690124    -14.32009961
  O     20.30094414     16.31063766    -13.21143279
  H     16.81285825      8.74413798    -13.21579200
  H     16.73317338     15.15285530    -13.40792786
  O     20.75696627     11.67033904    -15.13788927
  H     18.14317375      8.87380335    -14.04852810
  H     22.49234414     14.20518169    -14.41047679
  O     15.96789690      8.88258966    -11.52516100
  H     14.49925154     12.65664723    -16.32514819
  H     21.78316223     14.71359276    -15.67034401
  O     15.52208434     15.54558627    -16.73533937
  H     15.27986752     12.37241225    -17.62862540
  H     20.19085563      9.29424886    -13.02839320
  O     20.63525194     16.20619392    -16.04219714
  H     17.31453307     15.25708225    -16.43836016
  H     20.26646774      9.93248909    -14.43165722
  O     17.70037831     15.19064637    -13.39678332
  H     18.29273773     14.04268399    -16.37730879
  H     17.23172510     10.72477613    -14.04308883
  O     22.28113612     13.96442907    -15.32028858
  H     22.99880335     15.17786394    -11.99891351
  H     17.55933927     12.07558547    -13.31335637
  O     19.88386386      9.19662209    -13.93736087
  H     21.61974297     15.31222391    -12.68891312
  H     14.70303305     13.94387237    -14.06180277
  O     17.17540012     11.68767122    -14.10864241
  H     17.92532494     12.07891093    -15.63716434
  H     15.08715422     15.18943943    -14.87364524
  O     15.01824168     14.84978850    -13.97228462
  H     17.84108733     11.81763051    -17.16227848
  H     19.24908856     12.79338744    -12.04019656
  O     18.30260464     12.93918783    -11.90304102
  H     16.48592050     10.48346929    -18.95733532
  H     18.08635952     13.79053883    -12.30761502
          69
 Energy    -248.59062816604768     
  O     11.49662003      9.22042238    -15.24541638
  H     11.81509072     10.12735647    -15.31417241
  H     18.87500384      9.68964981    -14.75119664
  O     16.62809151      7.16744514    -12.77821469
  H     12.11371171      8.68065009    -15.76011002
  H     15.00694395     10.49378203    -17.45501434
  O     16.72579775     11.39394162    -12.42299055
  H     17.30868187      7.76713528    -12.44595617
  H     15.79118758     11.15815199    -16.30915434
  O     17.15190598     10.45475591    -15.05488574
  H     16.05508507      7.69567291    -13.35815464
  H     14.51841029      8.44934050    -15.07113454
  O     14.15802841      5.24910612    -15.46026572
  H     16.75428625     11.67405017    -11.49935360
  H     14.62102054      9.47891440    -13.89709343
  O     14.27123513     10.25703790     -9.16148466
  H     15.78342292     11.28404287    -12.62189279
  H     11.06947690      8.39782317    -13.79729273
  O     14.55454200      6.96635920    -10.98976520
  H     17.16791755     11.00271461    -14.25915882
  H      9.97622400      7.75216625    -12.91095627
  O     14.05618556     10.95976784    -13.00248222
  H     16.46604330      9.78762434    -14.88070368
  H     17.44793915     10.17929840     -9.28424689
  O     17.45311394      8.27109922    -16.99605461
  H     13.91225366      4.35142553    -15.66784483
  H     18.13437113      9.10811153    -10.14321076
  O     15.60267325      7.80241351     -8.51313019
  H     13.75775045      5.45388223    -14.59542258
  H     12.23211974      6.52106918    -13.08993047
  O     16.91269157      6.10936217    -15.36514134
  H     13.63664325      9.99830616     -9.84089255
  H     13.50516927      6.13087691    -12.31814659
  O     19.63293612      9.15786895    -14.47133322
  H     14.63066415      9.42988321     -8.81581287
  H     19.01315341      9.10695942    -12.72942332
  O     14.98251066     11.22787982    -16.82927397
  H     15.33332838      6.96792891    -11.56671163
  H     17.83110750      9.91500130    -12.13004915
  O     15.09244229      8.78280162    -14.37228568
  H     14.87611252      7.12189859    -10.09369431
  H     16.45200585     12.56812154     -9.07474979
  O     10.91414220      7.91287984    -12.96643496
  H     13.49433316     11.32148725    -13.69852498
  H     15.63121670     11.32276360     -9.48446939
  O     17.75540637      9.26467907     -9.26756684
  H     13.52224899     10.41959965    -12.40182826
  H     16.06557163      8.58470915    -17.99517431
  O     12.98913591      5.92388868    -13.10773747
  H     17.30258683      7.49355592    -16.43353151
  H     15.34696117      8.75453045    -19.35669391
  O     18.40797778      9.15287307    -11.97733076
  H     17.52201560      9.03292706    -16.41278682
  H     13.45741719      8.40662931    -11.23455534
  O     16.46205935     11.80516836     -9.64656373
  H     15.76782242      7.36773249     -7.68097307
  H     12.06967439      8.78184258    -11.80093196
  O     15.22275727      8.83504393    -18.41502348
  H     16.42801810      8.25725959     -8.76137848
  H     13.53199977     11.60837792    -15.91871316
  O     12.83762038      9.14391833    -11.34245369
  H     16.02968150      5.73260300    -15.45917098
  H     12.39061375     12.61156799    -15.63114899
  O     12.75670345     11.77585334    -15.35380393
  H     16.99254826      6.32246386    -14.42593388
  H     14.04485986      8.04125445    -17.22521393
  O     13.51492624      7.76657476    -16.46635650
  H     19.72212126      8.47330076    -15.13386578
  H     13.71429017      6.84198061    -16.26665563
          69
 Energy    -248.59051711527434     
  O     16.42221257     11.84361975    -17.76232980
  H     16.32366638     11.16109952    -18.42113186
  H     19.73159315     12.85141442    -17.20617584
  O     19.28582561     17.64778624    -14.21343214
  H     17.35680669     12.11305516    -17.77877009
  H     13.20947190     14.01538452    -11.52721873
  O     16.33582954     15.61922953    -11.99828066
  H     19.32359542     18.14003521    -13.38362553
  H     13.77147949     14.24224964    -12.95247341
  O     14.64570616     16.47064475    -16.40897214
  H     18.37285638     17.34309191    -14.32120519
  H     20.70047850     14.84128180    -13.50430992
  O     16.00756487     12.01117543    -12.56040330
  H     16.43157085     15.96452842    -12.89548843
  H     20.50064546     16.36085781    -13.78441952
  O     13.58184746     14.47230939    -14.65393437
  H     15.49100782     15.15413396    -11.95062426
  H     17.52668387     14.26919665    -11.59979734
  O     21.06988641     12.86448991    -16.04958862
  H     14.15370290     17.10797507    -16.91963355
  H     18.64133972     13.92135475    -10.59618523
  O     22.40890487     15.39911219    -15.96694759
  H     15.04747112     15.85263452    -17.04556517
  H     15.71383434     12.11187542    -14.36003055
  O     17.78814946     17.14182252    -10.19111755
  H     16.78955471     12.32605712    -12.09203552
  H     15.74386111     12.00968066    -15.95499094
  O     19.73477223     13.33926573    -13.56699520
  H     15.28957860     12.59236021    -12.27717464
  H     20.89893998     16.34894889    -16.64167558
  O     15.88080094     14.75473734    -18.12718422
  H     14.16077507     13.74598515    -14.93306565
  H     19.79277758     17.21410961    -16.00300878
  O     18.90552349     12.96594474    -17.70082303
  H     13.81566026     15.21897392    -15.21521242
  H     20.75384222     17.44712073    -11.09198788
  O     14.01936578     14.06021861    -12.02749466
  H     20.74321748     12.82994008    -15.14115470
  H     21.38149152     16.24326461    -11.80373091
  O     21.16395966     15.68961305    -13.56654731
  H     21.61528073     13.65875817    -16.10374483
  H     18.78051805     18.23929398    -11.10192257
  O     18.12371759     13.55757008    -11.32473179
  H     23.33589906     15.62283555    -15.96856060
  H     19.38046956     19.65297277    -11.28862365
  O     15.46162538     12.53241603    -15.19679116
  H     22.09051520     15.52687233    -15.05569447
  H     20.25308682     15.56193120     -9.92765081
  O     20.05790971     16.78523349    -16.82562597
  H     17.17642995     16.67463371    -10.77814409
  H     20.01390611     14.84723682     -8.57806993
  O     21.23326556     16.62597079    -10.92836575
  H     18.32283019     16.45557634     -9.77470151
  H     18.16377149     13.78285828    -16.17115471
  O     19.41729829     18.76114964    -11.62362048
  H     19.03890702     13.58769268    -14.19462728
  H     16.93265001     13.57765311    -15.24660717
  O     19.60720855     15.04057144     -9.41849391
  H     19.28977943     13.28312196    -12.71164471
  H     18.79937852     15.95974086    -19.54611603
  O     17.76231322     14.06653129    -15.34211003
  H     16.77280403     15.05102001    -18.35037905
  H     19.06659312     16.03898389    -18.02665295
  O     18.57589496     15.55246987    -18.71321234
  H     15.92423319     13.79681503    -18.04082138
  H     16.04505653     16.65374243    -15.17956305
  O     16.80558017     16.50532265    -14.60610112
  H     18.94077534     13.81012530    -18.16862188
  H     17.20569886     15.67086355    -14.89982199
          69
 Energy    -248.59009294383930     
  O     15.70520664      8.98590259    -15.27436981
  H     16.21249416      8.99277673    -14.45164674
  H     12.45882041     10.18188685    -14.55592702
  O     14.81928895     12.64058943    -15.65755386
  H     14.87584029      9.43931163    -15.08239467
  H     17.25372666      8.80944716    -18.01707246
  O     19.33894168     10.82563180    -10.40262460
  H     14.15028533     12.00297554    -15.38541162
  H     16.62160071      9.33685306    -16.70760030
  O     20.18677756     13.03089601    -11.98880742
  H     15.60041457     12.42771227    -15.12375603
  H     16.22488884     13.59266443    -11.35455715
  O     14.08007087     11.03184284    -11.97227523
  H     19.67288762     11.65850351    -10.75938692
  H     15.25072295     13.89188517    -10.19477837
  O     16.59152715     10.57927173    -10.52350129
  H     19.65519618     10.15001454    -11.01460795
  H     19.18470632     16.65353815    -13.88984660
  O     17.24171257      9.43708815    -12.95354691
  H     20.75854423     13.79967134    -12.10835932
  H     19.70467352     18.07533941    -13.61764852
  O     16.07279606     12.14705244    -18.12091125
  H     20.37282642     12.43332541    -12.72600203
  H     20.17186637     11.18233553    -14.82283973
  O     19.44593430     13.97576115    -16.51069190
  H     14.35636195     11.92421927    -11.72591563
  H     21.40637397     12.02650867    -14.45103493
  O     21.72119586     15.28996816    -12.68735276
  H     14.68000419     10.46495322    -11.47805087
  H     16.95510929     13.61986545    -18.36792683
  O     18.84816209     11.29908945    -16.01473069
  H     17.54031070     10.65463907    -10.33519836
  H     17.33396062     14.80706340    -19.28438125
  O     13.36223051     10.48692125    -14.54365060
  H     16.24695748     11.48001212    -10.50191106
  H     17.18802914     15.54163409    -15.05594665
  O     17.17110944      9.58725632    -17.47250964
  H     16.97124312      9.74008459    -12.07426922
  H     18.61094187     14.95579903    -15.20257272
  O     15.47979733     13.23293905    -10.84519334
  H     18.18481292      9.23933515    -12.90102985
  H     21.91376181     14.28889357    -14.33663229
  O     19.89211365     17.15519884    -13.45260297
  H     15.53508887     12.29707761    -17.33067492
  H     21.16758088     13.90428503    -15.63657848
  O     20.85130877     11.29571911    -14.14160623
  H     16.43454315     11.25902044    -18.02561971
  H     20.44162520      9.86704111    -13.17025958
  O     17.40334730     14.48536334    -18.38966995
  H     18.86595091     14.25166071    -17.23236282
  H     20.65593513      8.41078697    -12.69999673
  O     18.05141381     15.48875400    -14.62066433
  H     19.29406130     13.02516036    -16.40798634
  H     17.02757817     11.10068875    -13.67718926
  O     21.90190817     13.65239801    -15.06090361
  H     22.47301451     15.70482890    -12.27208366
  H     17.22338588     12.63849276    -13.47117212
  O     20.05614397      9.14998709    -12.63884929
  H     21.10253230     16.00169352    -12.92526410
  H     15.29894359     14.46183056    -15.94142036
  O     17.00902063     11.95918171    -14.12087634
  H     18.41715321     10.67163173    -16.60516411
  H     16.24977763     15.12663512    -16.95408077
  O     15.78484309     15.27751210    -16.12135363
  H     18.17289689     11.57593636    -15.37466813
  H     17.72878950     14.61344410    -13.07919815
  O     17.63270655     14.00219530    -12.33553355
  H     13.57970660     10.67554083    -13.61368550
  H     18.51880551     13.68313552    -12.11324128
          69
 Energy    -248.59005344397391     
  O     12.95581269     10.88191458    -14.90402436
  H     13.31090915     10.46876249    -15.70115645
  H     15.14347165      5.90023172    -16.75434490
  O     16.40718033      6.39216782    -13.89896792
  H     13.63192857     11.49087161    -14.57841414
  H     15.97766659      8.02971808    -14.48975744
  O     18.11023435     10.01689296    -11.63918113
  H     15.64652091      6.20039990    -13.33654385
  H     15.15170398      9.02988295    -15.37607115
  O     17.88422401     10.49283211    -15.52470686
  H     16.27790630      5.96998823    -14.76269146
  H     12.07081428      9.78431075    -13.89016404
  O     13.41582934      6.68300264    -17.06749906
  H     18.32884699      9.20997387    -12.12910312
  H     10.67529394      9.37639405    -13.36890383
  O     15.09540162      7.80483569     -9.11629336
  H     18.00981388      9.76322592    -10.71203295
  H     18.52402069      6.79150306    -11.30290764
  O     14.22360507      6.03641403    -12.21910757
  H     18.01417652     11.19967925    -14.88153039
  H     18.13675587      7.31259913     -9.90716900
  O     15.35655734      9.99736656    -12.18645535
  H     17.15624827      9.94419658    -15.18564586
  H     12.23112605      7.51316845    -14.13032209
  O     17.88398576      7.36237799    -17.49992874
  H     12.78054699      6.19301000    -17.58260682
  H     13.13301152      6.31720851    -13.75568072
  O     15.85821630      5.20989767    -10.08485629
  H     13.10949914      6.65369697    -16.14180631
  H     18.10688934     11.49470367    -12.69583150
  O     19.72755365      8.43490768    -15.50062646
  H     15.26000246      6.87707249     -9.32621206
  H     18.54209614     12.94513417    -12.98723997
  O     16.00530476      5.59700962    -16.44784163
  H     14.36825592      8.08030153     -9.68910774
  H     19.17283415      7.80488330    -13.78710339
  O     15.80571188      8.96311548    -14.67044502
  H     13.90325810      6.87561100    -11.85690024
  H     17.87307413      7.14208459    -13.28149164
  O     11.59354021      9.11928399    -13.36183158
  H     14.71169047      5.60635971    -11.50576152
  H     17.75702546      9.22965562     -8.21278376
  O     18.23352398      6.50581394    -10.42728752
  H     16.26255951     10.01787415    -11.85984638
  H     16.63536592      8.62997286     -9.09023835
  O     12.64571943      6.71724483    -14.48590822
  H     15.41301069      9.64401885    -13.08898958
  H     17.19706727     10.31292720    -17.20064837
  O     18.05286804     12.21112574    -13.35053825
  H     17.51060198      8.20127438    -17.79313773
  H     17.00180877     10.61656228    -18.70357819
  O     18.66006374      7.63090681    -12.99045407
  H     18.56465926      7.58680413    -16.85540215
  H     14.05798359      9.07367562    -11.49202335
  O     17.54510101      8.97838940     -9.10787540
  H     16.00049595      4.37551275     -9.64598368
  H     12.59945173      8.70270298    -11.80878117
  O     16.77153826      9.99739734    -18.01485100
  H     16.73804725      5.59287069    -10.24991925
  H     15.97218192     12.54105513    -13.73386575
  O     13.33039252      8.49165203    -11.21645997
  H     19.16460531      9.22675548    -15.52211353
  H     15.00489402     11.63790106    -12.99903612
  O     15.03503892     12.34477142    -13.66032849
  H     20.60075911      8.70772193    -15.77270957
  H     14.99920277      9.54275173    -17.44723045
  O     14.20977751      9.35306426    -16.92605667
  H     16.66734059      6.13972442    -16.90175695
  H     13.92945765      8.44714425    -17.11694519
          69
 Energy    -248.59003516867247     
  O     13.00118686     13.87589301    -11.72494664
  H     12.76233780     12.94490175    -11.86417149
  H     12.90538602     12.00421751    -15.53545655
  O     15.63548353      9.80916519    -17.86665495
  H     12.28896121     14.26361606    -11.22081649
  H     16.09230052     13.01174103    -17.20954830
  O     14.59100584      9.58819591    -11.63193363
  H     15.55800171     10.77715946    -17.78233541
  H     14.55670760     12.89626332    -17.29461399
  O     17.73685221     14.77825764    -12.10874730
  H     15.87381071      9.63196214    -18.77249849
  H     13.40492997     14.11165516    -15.65264352
  O     13.70619602      8.89002179    -16.07389563
  H     15.34910981     10.13333178    -11.38165589
  H     12.40211105     14.23604344    -16.82564835
  O     12.94423881      7.41624462    -11.03542479
  H     13.85844588     10.19219079    -11.81052623
  H     20.04356353     12.00844978    -12.23504249
  O     13.71073465      5.91828479    -13.17088170
  H     17.02711617     14.58952323    -11.47690447
  H     18.84481820     12.03376755    -13.21340556
  O     15.42960109     12.20814516    -13.84756836
  H     18.30167215     13.99820081    -12.13013266
  H     16.83549426      9.34400489    -16.43759817
  O     12.35772005     11.22537723    -12.28624603
  H     14.28111704      8.61401245    -15.34313773
  H     16.76546640      8.74737045    -15.01623013
  O     15.30857916      8.13108975    -13.92877918
  H     14.29094020      9.12953299    -16.80414756
  H     12.35237784      6.90409598    -14.11479735
  O     18.00710427     11.68362571    -14.72367241
  H     12.11721287      7.84655785    -11.28336672
  H     12.27168759      8.02130212    -15.16558622
  O     13.01505651     11.27080630    -14.91854514
  H     13.61055732      8.11818067    -11.06780907
  H     17.10326690     15.53337413    -13.48939580
  O     15.37458730     12.47433255    -17.57563803
  H     13.44834755      6.35179021    -12.33856367
  H     17.00117016     16.79381019    -14.38233409
  O     13.01918315     13.63916164    -16.41086275
  H     13.81613259      4.99069090    -12.97925645
  H     17.51149586     11.59757623    -11.54606948
  O     19.12796507     12.26261011    -12.31039283
  H     15.16771687     13.13108640    -13.94050196
  H     16.14354792     11.72937335    -12.24703469
  O     17.35591623      9.18934696    -15.63942182
  H     14.71262946     11.70467630    -14.25136362
  H     14.96740237     15.26422544    -14.13556843
  O     11.76901496      7.59047793    -14.46313892
  H     12.53043803     11.26532340    -13.24130438
  H     13.79616650     14.60536668    -13.29403788
  O     16.66303551     15.90909459    -14.27439188
  H     11.72441788     10.50727365    -12.16239674
  H      9.85288907      8.71389949    -12.20476186
  O     16.56670075     11.45668471    -11.41630264
  H     15.12634398      8.68095649    -13.15441406
  H     11.08911378      8.46284888    -13.09740302
  O     14.16288238     14.72847314    -14.17869648
  H     14.91887734      7.26872862    -13.73699399
  H     15.92315586     13.03157688    -10.61135286
  O     10.78790787      8.88817609    -12.27403969
  H     17.95335178     10.78364393    -15.07590272
  H     14.71957230     13.95914221    -10.83255405
  O     15.62501665     13.94560495    -10.50453365
  H     17.09747873     11.91198466    -14.47937050
  H     17.17980365     14.62314634    -15.66365189
  O     17.36405933     13.93150040    -16.30815185
  H     13.17927792     10.46010382    -15.41871156
  H     17.78987188     13.21209035    -15.82266449
          69
 Energy    -248.59002591764261     
  O     -1.76048161      0.31422485      1.57424606
  H     -2.11402176     -0.05185321      2.40240448
  H     -2.26638379      5.11676232      0.11080051
  O      1.05724083     -1.06755482      4.42623595
  H     -2.40209730      0.97630901      1.28314219
  H     -1.25966160      5.92281837      5.12587238
  O     -5.46193327     -2.16258294      5.84956259
  H      0.27601964     -1.61846158      4.60672775
  H     -2.18187758      4.97175526      4.32725451
  O     -5.58628278     -0.56637074      3.59671612
  H      1.77707483     -1.66746596      4.24644262
  H     -0.30868586      2.11310377      4.71176066
  O     -6.39011672     -1.73566897      1.19571123
  H     -6.31638110     -2.45873317      6.15472375
  H     -0.77231573      3.42346230      5.39993977
  O     -3.82422025      2.05710507      0.97245453
  H     -5.62530560     -1.58119113      5.08856257
  H     -3.36448937      4.77665601      2.46478213
  O     -4.77818726     -0.23870186     -0.36883153
  H     -4.62051431     -0.65248674      3.56630373
  H     -4.23254278      4.00292991      3.47728232
  O     -2.38726055     -1.79801465     -0.05202948
  H     -5.93694030     -0.96208309      2.78865677
  H      0.83079156     -0.15563699      6.12354948
  O     -1.18317098     -2.47186984      5.16953647
  H     -7.19481973     -1.98100389      0.74822713
  H      0.12901150      1.12419793      6.60700472
  O     -3.44174071     -3.77240877      4.50210947
  H     -5.88439014     -1.17461680      0.57998701
  H     -0.43829560      4.44573825      3.11297728
  O     -4.90853705      2.20072881      3.56383057
  H     -3.40597453      2.90699022      0.78522904
  H      0.11165322      3.14036320      2.50166822
  O     -2.44844373      4.47759011      0.79416077
  H     -4.22134495      2.12201693      1.85270239
  H     -2.32491738     -1.24065172      4.35058267
  O     -1.29580850      5.06022377      4.72151216
  H     -3.97454602     -0.77104534     -0.42143821
  H     -2.89428708      0.20131784      4.52394246
  O     -0.59253541      2.48817966      5.55841227
  H     -4.51596754      0.61631470     -0.00171524
  H     -0.62860441     -0.89742180      7.61547759
  O     -3.65182801      4.76813748      3.38644308
  H     -2.03630805     -1.07737587      0.49775940
  H     -0.92248640     -1.99409662      8.66856949
  O      0.45798953      0.26635069      6.90717167
  H     -1.68288971     -2.06773239     -0.63572156
  H     -2.95881203     -0.87133509      7.62057321
  O     -0.21621290      4.01928029      2.27540696
  H     -1.90218187     -3.08213251      4.93894133
  H     -4.33727549     -1.05662314      6.93773729
  O     -2.80655831     -0.53556105      3.90358991
  H     -1.23989808     -2.29730714      6.11785187
  H     -3.41431684     -2.87468143      1.19252702
  O     -1.24304937     -1.61489307      7.85468319
  H     -3.64513130     -3.66339702      3.56066427
  H     -4.88837298     -2.89017213      1.61356581
  O     -3.76962453     -0.40947136      7.37396280
  H     -4.15395944     -3.34245769      4.98830947
  H     -0.39200524      1.02181312      2.51683549
  O     -4.02662959     -3.26680694      1.82561941
  H     -4.31987344      2.10784746      4.33034866
  H      0.66943871      0.55038540      3.52819038
  O      0.27475719      1.34194351      3.14200987
  H     -5.40472291      1.37377662      3.54203299
  H     -3.43322541      0.99285170      6.35443323
  O     -3.21985898      1.59861282      5.62783381
  H     -1.60483387      4.30023370      1.24761935
  H     -2.31864426      1.92562647      5.73737423
          69
 Energy    -248.58938480692518     
  O     -7.37253445      2.67141274     -0.54118657
  H     -7.56631454      1.81213454     -0.92836870
  H     -6.05516635      0.63789190      3.06290541
  O     -3.90833254      1.89141848     -3.58198429
  H     -6.56156296      3.00505834     -0.95331163
  H     -4.14901938      0.67449420      4.93399270
  O     -7.44391845      3.30226159      2.05041973
  H     -4.05229458      1.82323867     -4.52170860
  H     -4.05488342      0.07307885      3.51489540
  O     -3.57286956     -1.12212973      2.24359610
  H     -4.39022108      1.15638148     -3.16312457
  H      0.18614148      2.24932467      1.32066116
  O     -1.32214017     -0.89167935     -1.27684011
  H     -7.46939271      3.14023697      1.08802074
  H     -0.79092150      1.09705332      1.62277440
  O     -5.18992058     -0.02861399     -2.14134791
  H     -8.14500212      3.91628356      2.24718417
  H     -2.14010779      2.78167529      0.90960130
  O     -4.94687511     -3.16305829      0.89655654
  H     -4.00727103     -1.94283071      1.98199726
  H     -3.55288642      3.33070091      1.23970838
  O     -3.73436194     -2.32495935     -1.37302916
  H     -3.79823885     -0.48891382      1.54263685
  H      0.96813293     -0.73037667      1.22075576
  O     -1.76786733      1.82583875     -1.80065868
  H     -0.41976484     -1.05510520     -1.57982614
  H      1.98237288      0.37955066      0.87237953
  O     -0.90770493     -0.75514324      1.48021682
  H     -1.51621093      0.03755922     -1.46368215
  H      2.60258395      2.95390300      0.63778216
  O      1.42463064     -1.03843728     -1.83342251
  H     -6.15401822     -0.06845689     -2.11157815
  H      1.66361130      2.19614232     -0.33164999
  O     -6.70062368      0.63546321      2.34512986
  H     -4.90890214      0.22743648     -1.24792875
  H     -7.73442142     -0.57943955     -0.76798177
  O     -4.45495459      0.78772351      4.03756987
  H     -4.49643878     -2.91771553      0.06724942
  H     -8.74249661     -0.26861503     -1.90030199
  O     -0.72621857      2.05942424      1.56835625
  H     -4.98903495     -4.11532827      0.91387338
  H     -6.54667701     -2.09168318      0.73329456
  O     -2.97905853      3.06026523      0.50532259
  H     -2.84711048     -1.94190672     -1.35480244
  H     -7.16736790     -0.80867067      1.33313067
  O      1.83097596     -0.57268628      0.81367479
  H     -4.29085491     -1.65677834     -1.79258582
  H     -5.33182387      0.82571704      0.96265091
  O      1.93051266      2.27914472      0.60157109
  H     -2.42080739      1.89793252     -2.50910901
  H     -4.02936572      1.54018815      0.47646122
  O     -7.89859348     -0.00895094     -1.54139401
  H     -2.11919354      2.30667236     -1.04200543
  H     -4.25059010      3.61685257     -0.89144164
  O     -7.28387922     -1.47772944      0.64292289
  H     -1.73874975     -0.99390813      1.90672530
  H     -4.61526902      3.16963251     -2.32037065
  O     -4.53009287      0.71570038      0.43549306
  H     -1.06509038     -0.84590268      0.52850135
  H     -5.59391350      3.45002831      2.47893471
  O     -4.96310356      3.61822142     -1.54081933
  H      2.05008464     -1.65121582     -2.20940820
  H     -4.52447396      2.57662933      3.17413266
  O     -4.64397174      3.36130757      2.62655717
  H      1.65307090     -0.94310157     -0.89066955
  H      0.09833083      1.91160301     -1.96175967
  O      1.05947554      1.81235677     -1.93197191
  H     -7.09106932      1.51893735      2.31717967
  H      1.23543147      0.87323585     -2.06879531
          69
 Energy    -248.58928357563136     
  O     18.00039412      9.63274011    -11.03692363
  H     18.74964803      9.03940184    -10.87968853
  H     19.42501852      3.32692753    -12.16946973
  O     13.36789949      6.88303570     -8.68785599
  H     18.13316364     10.45273840    -10.54425246
  H     15.43217462      5.83186230    -10.65683834
  O     18.09324268     11.88397306     -9.38616637
  H     12.85915100      6.96861868     -9.50734380
  H     16.07045280      6.67728180     -9.52003929
  O     16.07197209      8.76637616    -12.79854485
  H     14.14979847      6.36940443     -8.93615109
  H     19.67417793      5.82463670    -12.93552071
  O     19.81772547      7.65306638    -10.45956760
  H     18.20100924     12.81612419     -9.55512939
  H     19.99056660      7.17466619    -12.27948198
  O     20.94900104      8.24435565     -7.96624891
  H     17.27301756     11.78385405     -8.86890799
  H     17.09257606      9.19202815     -5.82601484
  O     18.46174961      5.25177950     -9.77361158
  H     16.56214428      8.40613996    -13.54893273
  H     17.08745140     10.26175289     -4.70915690
  O     12.48929395      7.25631937    -11.27554538
  H     16.73885099      9.11186487    -12.18646990
  H     18.04472059      7.72966828    -15.56172732
  O     15.91178918     11.46406746     -7.83768310
  H     20.31933854      7.86945293     -9.66373531
  H     18.53080588      7.31493119    -14.15305024
  O     13.73178332      9.84667379    -11.79506233
  H     19.30795774      6.85700866    -10.25234723
  H     15.74214187      8.81757076     -9.01821598
  O     14.12028699      9.60748406     -9.00737826
  H     20.44343594      9.03933176     -7.71946351
  H     17.13309955      8.74905741     -9.69524139
  O     19.01652349      4.18610754    -12.23897681
  H     21.83929249      8.37469325     -7.65103694
  H     18.77133500     10.35945089     -6.69314523
  O     15.74650950      5.78946533     -9.74162717
  H     17.49577212      5.29871131     -9.76220796
  H     19.11243160     10.96869648     -8.06401877
  O     19.83214259      6.75674591    -13.13515631
  H     18.75865744      5.39452992     -8.86239023
  H     13.83272277      6.74858723     -6.92080688
  O     17.21191987     10.14038117     -5.64680750
  H     12.69522509      8.16966811    -11.50312687
  H     13.84031432      5.96831176     -5.60037459
  O     17.73909585      7.51781748    -14.68361327
  H     13.17606904      6.73673304    -11.71737655
  H     15.41495142      5.62766466    -12.89415705
  O     16.56754152      8.31454893     -9.04811325
  H     16.24173861     11.04406999     -7.03321312
  H     15.27397765      7.09913506    -12.44762290
  O     19.46964832     10.41918248     -7.35671644
  H     15.17631948     10.92319841     -8.15233635
  H     19.83810015      6.77980151     -7.39155598
  O     14.29068498      6.66664987     -6.07007490
  H     14.53877219      9.51079848    -12.21878718
  H     18.42991653      6.49121310     -6.83347804
  O     14.89444240      6.21817708    -12.33106658
  H     13.40303717     10.54810073    -12.35222242
  H     16.86496713      7.81012385     -7.36770680
  O     19.18869038      6.07745511     -7.26498674
  H     13.74041951      8.74424733     -8.79508002
  H     16.02416902      7.18119636     -6.22210300
  O     16.89439504      7.54760716     -6.43412107
  H     13.93621660      9.77239885     -9.94212899
  H     17.48466342      4.57391511    -13.34618545
  O     16.75048246      4.91268922    -13.87303460
  H     18.84706928      4.48747175    -11.33028772
  H     17.07248887      5.72555567    -14.28204420
          69
 Energy    -248.58901790633774     
  O     11.15789878      8.90686051    -14.18891485
  H     11.74325031      8.20808806    -13.84190491
  H     18.96450487     11.51696229    -13.88123151
  O     17.40663803      8.45146428    -14.43332864
  H     10.28128376      8.53586862    -14.23274281
  H     13.51303041     13.16666600    -14.57971529
  O     16.99222172     11.35371969    -11.15874592
  H     16.61401523      8.98371862    -14.26015692
  H     12.05679466     13.58157022    -14.89029423
  O     15.16480121     13.64588411    -14.55965927
  H     17.27318413      8.08776422    -15.31910448
  H     14.95960055     10.18829002    -13.18467868
  O     16.21165715      7.45760906     -8.81369944
  H     17.02347726     12.24235503    -11.53169451
  H     14.39777734     10.00494560    -14.62164908
  O     16.59039305      6.34662258    -12.86990915
  H     16.07134966     11.05508907    -11.20085268
  H     13.36935631      7.20560495    -12.45752578
  O     14.47728822     10.31324705    -11.45368879
  H     15.64466838     13.09035736    -15.18861000
  H     13.46200896      6.61177643    -13.88180326
  O     14.93536776      9.84060741    -17.67894380
  H     15.76571222     13.77873473    -13.81761988
  H     19.67060785      8.98260403    -11.46618581
  O     18.12119747      6.23475037    -10.61063203
  H     16.04606306      7.30176906     -7.88799633
  H     20.90303434      8.48483095    -10.67808424
  O     16.49803782     11.61134698    -15.97395265
  H     16.75349404      8.26545064     -8.86997113
  H     14.79366792      4.83491133    -15.09533495
  O     16.31432533      7.46863317    -16.74655535
  H     17.17809780      6.16871390    -12.12163630
  H     15.47657020      5.85764555    -14.16349054
  O     18.71522544     12.32587209    -14.34546286
  H     16.98777600      7.06301885    -13.38619901
  H     17.83211745     13.33878264    -13.22848682
  O     12.60105128     12.83362638    -14.65916986
  H     14.47857914      9.35867535    -11.29677248
  H     17.67973965     14.58446919    -12.32229619
  O     15.21014715     10.03290424    -14.10344289
  H     13.57627261     10.59058909    -11.67529847
  H     18.20047324     10.42540269    -12.19324006
  O     12.87076588      7.07139907    -13.27333763
  H     14.17372354      9.98542707    -17.09352559
  H     18.45316939      9.40450988    -13.35450261
  O     19.95063475      8.44457564    -10.70617821
  H     14.61221700      9.92974838    -18.57261291
  H     17.55727318     10.30460869     -9.72073657
  O     14.82796273      5.76522458    -14.88321221
  H     18.81499546      6.90563872    -10.64061121
  H     18.65481246      9.23882998     -9.53554370
  O     17.24020606     13.78271552    -12.59363712
  H     17.51203732      6.51682402     -9.91738338
  H     12.28041590      9.75831689    -15.36542387
  O     18.88988501      9.98234722    -12.71078106
  H     16.12887232     11.12646258    -15.21847377
  H     12.80813825     11.20877723    -15.51141956
  O     17.85021566      9.59258810     -9.13652226
  H     16.17494510     11.13504357    -16.74466564
  H     15.08731839      7.47888355    -10.29058927
  O     12.95334835     10.29733591    -15.80214625
  H     15.69057575      6.92397380    -16.25089082
  H     15.34902189      7.16475354    -11.77799039
  O     14.70255947      7.55588521    -11.17314172
  H     15.81585214      8.21397075    -17.10335974
  H     12.19798020     11.74706291    -13.13307791
  O     12.05103102     11.04729866    -12.48448564
  H     18.10844182     12.06246902    -15.04993079
  H     11.64346816     10.32229061    -12.97356860
          69
 Energy    -248.58887493956121     
  O     16.42460455      8.79732710    -15.24907160
  H     16.45289570      9.55424987    -15.85926617
  H     17.93683319     10.23031470    -11.19154484
  O     17.52796618     15.18799329    -15.69856620
  H     15.83337664      8.16083849    -15.64091106
  H     20.36484954     16.79897333    -10.73453350
  O     21.25390532     10.02336127    -15.66020621
  H     18.26567432     15.03234235    -16.29902081
  H     20.17381329     18.31770333    -10.96507617
  O     19.43024514     13.00992703    -10.27873848
  H     17.90774962     15.63735796    -14.93296680
  H     21.89794636     12.23982631    -12.22554709
  O     15.68361476     12.28911363    -12.89376247
  H     20.77246561      9.62364578    -14.91234947
  H     22.50273378     12.95279922    -10.98068421
  O     21.12941583      9.59231593    -10.93569870
  H     21.76183997      9.32435797    -16.06228322
  H     16.61627458     10.78253876    -12.87896559
  O     19.32382079     11.89049797    -16.57885388
  H     20.29770949     12.77614145    -10.63334787
  H     16.92740709      9.51857880    -13.72865281
  O     21.27089258     14.93825980    -14.76430154
  H     18.95736432     12.17044695    -10.18049760
  H     20.03216295     14.63859605    -18.13328116
  O     20.65263958     15.46246413     -9.64924099
  H     15.53188242     12.59450908    -13.79697265
  H     19.71763382     13.54234803    -17.08683927
  O     21.48479802     12.27925678    -13.95578959
  H     16.21825088     12.98172840    -12.48132704
  H     22.25631592     15.86328764    -13.45425803
  O     16.61640130     11.04352583    -16.79920618
  H     21.68679798      9.09254710    -10.34430957
  H     21.88993672     16.80277273    -12.28548139
  O     18.42729474     10.44859186    -10.38980832
  H     21.50155079     10.48855430    -10.98108391
  H     19.81396263     15.69573083    -13.90362104
  O     20.31198880     17.49086477    -11.41863432
  H     19.99198848     11.20434713    -16.46272509
  H     19.38217026     16.70269793    -12.81148248
  O     21.97312244     12.19593810    -11.26034949
  H     19.01067858     12.09720184    -15.68279904
  H     23.08312280     15.16925957    -11.34730353
  O     17.25612438     10.06026322    -12.99518651
  H     20.91154177     14.89492856    -15.65873920
  H     24.09657957     14.82706360    -10.22913040
  O     19.89019956     14.49276118    -17.20148067
  H     21.44289179     14.02443489    -14.49673300
  H     20.40388198      9.17876912    -12.62083355
  O     22.59422833     16.24039391    -12.63169925
  H     21.56093432     15.17083685     -9.79377375
  H     19.02604301      9.24460542    -13.30700701
  O     19.04185692     16.11025554    -13.49328046
  H     20.10913201     14.66551777     -9.70761714
  H     18.30535564     11.44051465    -13.65009455
  O     23.24303846     14.58906397    -10.58096706
  H     21.67154719     11.55516296    -14.56329296
  H     18.35999719     12.96191148    -13.40262674
  O     19.95962259      9.07385256    -13.47195299
  H     20.51916446     12.27244210    -13.84258180
  H     14.71422947     13.78708783    -15.84752820
  O     18.76163105     12.24930643    -13.91414538
  H     16.18350827     11.81565671    -16.41224163
  H     16.21808874     14.01954507    -15.59259908
  O     15.51211956     13.35109596    -15.55763862
  H     17.54207484     11.28965363    -16.91382194
  H     18.08973688     14.88576428    -12.52879399
  O     17.68252361     14.10343030    -12.13547114
  H     19.28994941     10.02689960    -10.48583605
  H     18.26861438     13.79209073    -11.43090369
          69
 Energy    -248.58881677672230     
  O     -1.21626209      2.01609407      3.99344674
  H     -1.39977311      1.52504457      4.78958540
  H     -2.43881851      6.38555858      0.38305220
  O     -2.92252540      4.20885649     -4.52975715
  H     -0.24934282      2.00325760      3.87431484
  H     -2.28688559      4.51114294     -2.84835435
  O     -3.74328442      5.62838966      1.55316234
  H     -2.64297058      4.52040130     -5.38770671
  H     -2.56071367      4.05935647     -1.38173261
  O     -2.25127323     -0.55278131     -0.06768453
  H     -2.83282629      3.24395651     -4.55309836
  H      3.67982925      4.69007560      3.94823390
  O     -0.25612491      2.30911012     -2.73340448
  H     -3.15611757      5.29388634      2.25497147
  H      3.35043705      4.34903326      2.47524041
  O      0.67519664      7.46422858      0.58006464
  H     -4.42694214      6.13279831      1.98577869
  H      0.23071674      4.13720188      1.39639311
  O      1.45584006      1.97395910      3.54851732
  H     -1.36362145     -0.39621830     -0.44314327
  H     -0.60197220      2.97068289      0.79507142
  O     -3.74597132      1.10567937     -1.85859031
  H     -2.30943919     -1.48207217      0.13327545
  H     -3.92390306      4.16569642      0.37086847
  O      1.88540445      1.29614464      0.86189625
  H     -0.69702740      3.08293535     -2.35457660
  H     -3.16335819      2.82990082      0.41816829
  O      0.14895837      0.11897992     -1.01168833
  H     -0.88382411      1.94245966     -3.36665177
  H     -1.82980666      3.82921142      3.71590519
  O      3.86870638      4.30636698      0.82933899
  H     -0.22322691      7.22972749      0.27676805
  H     -1.13256667      5.11408019      3.24235879
  O     -1.73104542      6.63327914     -0.22257805
  H      0.75695945      8.40998571      0.50131918
  H     -1.79507311      1.80806428      2.26296328
  O     -1.89744621      4.45581965     -1.96421834
  H      1.99585210      2.77121656      3.59949666
  H     -2.05473431      0.96513182      0.96486492
  O      2.97548739      4.40368047      3.37329761
  H      1.66402546      1.57505655      2.69229159
  H      1.38442948      5.24368466      2.95141585
  O      0.19467007      3.50107792      0.66954349
  H     -3.92941441      1.89476088     -1.33288295
  H      0.65926075      6.26309622      2.00869687
  O     -3.73308265      3.37481138     -0.14734184
  H     -3.32157186      0.47690487     -1.26170105
  H      1.14985627      4.60652880     -0.41805132
  O     -2.00235379      4.73313659      3.43138528
  H      2.70381801      1.43307114      0.36869398
  H      1.48717983      6.11139374     -0.47498268
  O     -1.98635248      1.86107833      1.31816013
  H      1.36317124      2.10832446      0.76537286
  H     -2.99964545      1.30168930     -3.40786794
  O      0.52291843      5.52730224      2.61969839
  H      0.79165499      0.39021620     -0.34396543
  H     -2.67219046      0.66652668     -4.78034787
  O      1.76793868      5.24929163     -0.80093886
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  H      4.78287771      1.47161970     -1.19647471
  O     -2.51718980      1.43901974     -4.24420195
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  H      2.27217066      4.00841449     -2.10971592
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  H      1.55130797      2.79807226     -2.72700480
          69
 Energy    -248.58881370595418     
  O      0.30979663      1.45872576      2.31485752
  H      0.92507903      1.01985466      1.70929936
  H     -3.42808871      4.68657204     -0.31746497
  O     -3.02776365     -0.36352938     -3.25222331
  H     -0.56672828      1.06342258      2.17934908
  H     -1.39678985      1.94305991      5.51293873
  O      0.15185542     -0.41624638      4.55647499
  H     -2.62108025     -1.23524578     -3.17328472
  H     -1.57448199      1.50957528      6.99093083
  O     -4.79981263     -0.71129126     -1.15278110
  H     -2.36796485      0.25624745     -2.91494492
  H     -0.03803028      2.72774190      0.81646177
  O     -1.87250213     -2.90122855     -2.48817301
  H      0.38341450      0.20868956      3.86056636
  H     -1.11306702      3.62268168      0.16392950
  O      0.07633315     -1.39259715     -1.01747189
  H     -0.40372106      0.07148201      5.17699532
  H     -4.00527927      0.79057588     -0.49343632
  O     -3.41109809      3.51656960      3.04324139
  H     -4.36195410     -0.53255172     -1.99827746
  H     -2.58618897      1.35136059     -0.74498973
  O     -3.41421297     -2.70991230      3.99661012
  H     -4.34356233     -1.48265313     -0.78965935
  H     -2.65463848      0.23600107      2.80915730
  O     -1.10207621      1.09659450     -1.70669302
  H     -1.88100032     -3.72517481     -2.96960810
  H     -2.69044621      0.74271113      1.31955514
  O     -5.53348964      1.55193009      3.17121134
  H     -2.45321577     -3.02434888     -1.71932715
  H     -2.59273029     -2.71956474      0.37575406
  O     -3.54347888      0.03154615      4.40808432
  H     -0.39358651     -1.92066706     -1.67228630
  H     -4.05106393     -3.19490820      0.50762735
  O     -3.00235592      4.11737335      0.31873784
  H     -0.27312075     -1.68471893     -0.16033000
  H      1.38485237     -0.39589906     -0.15881336
  O     -1.64154647      1.19737728      6.09341484
  H     -4.15171669      2.90049411      3.02899144
  H      2.53340698      0.62241113     -0.15516078
  O     -0.30410300      3.12900917     -0.01811880
  H     -3.31103647      3.84343288      2.14026277
  H     -1.83927397      3.28607076      3.86072260
  O     -3.38677174      1.47464118     -0.21105004
  H     -2.46912410     -2.89524373      4.02129415
  H     -0.42714431      2.68448072      3.61803613
  O     -2.15719599      0.28893446      1.98371841
  H     -3.50773119     -1.77453994      4.22824807
  H     -0.26804208     -2.05570638      4.16556308
  O     -3.37649250     -2.95926877     -0.14162683
  H     -0.63799152      0.28752652     -1.45728210
  H      0.04629691     -3.56323661      4.30913269
  O      1.88315336      0.20922354      0.40970054
  H     -0.68544606      1.82984907     -1.22937355
  H     -1.54366277     -1.27848324      1.54177841
  O     -1.00020681      3.06294243      4.29426015
  H     -5.68613682      0.84646952      2.51777017
  H     -0.87613692     -2.55345967      2.11673557
  O     -0.55137671     -2.94764484      3.89402704
  H     -6.39479374      1.85958194      3.44262834
  H     -5.77518048     -3.88951195      2.30037362
  O     -1.16886519     -2.13988626      1.29709597
  H     -4.27761184      0.61094135      4.16802519
  H     -4.52646554     -3.08807366      2.74125619
  O     -5.15599136     -3.22540726      2.00964698
  H     -2.98983973      0.47652897      5.06293853
  H     -5.72731612     -1.41703522      1.71186171
  O     -5.91117751     -0.51135720      1.43490387
  H     -3.25431763      3.20468043      0.09250401
  H     -5.73439452     -0.49538364      0.48616419
          69
 Energy    -248.58871998898923     
  O     13.46120598      8.85468553    -11.04508117
  H     13.31813297      9.52599058    -11.72497265
  H     18.65333846      4.68621569    -12.42066340
  O     14.34317858     11.67129239    -16.53607848
  H     12.85483689      8.11401630    -11.19481739
  H     11.36567966      6.11410012    -11.92364947
  O     16.22208570     11.11514756    -12.53944446
  H     14.00979042     10.79086303    -16.32433677
  H     12.54391004      5.84165622    -10.97610296
  O     15.42971473      6.14680617     -8.86896037
  H     13.95830029     12.26045249    -15.87516863
  H     19.06307642      8.12046547    -12.51977357
  O     16.20803483     13.46281424    -14.03419149
  H     15.29440098     10.89387947    -12.67961057
  H     18.91892170      8.77261096    -13.91162654
  O     15.68518071      7.56469201    -12.21757325
  H     16.44197907     10.91991310    -11.61693107
  H     14.46890079     13.42433446    -14.15789573
  O     13.45443156     10.65200961    -13.14803645
  H     15.28023579      7.08922668     -8.72793001
  H     13.06068907     14.06699839    -14.17451338
  O     18.10800765      8.03825973    -10.94517298
  H     16.38177869      6.02171754     -8.96525045
  H     12.82834262      8.54718114    -15.94019424
  O     16.87024251     10.34195346     -9.99859273
  H     16.62563562     13.15144328    -14.84583763
  H     14.26750908      8.69355911    -15.38779544
  O     19.31795501      5.43972031    -14.02671553
  H     16.33221371     12.74875651    -13.39119699
  H     17.37529324     12.38273248    -17.25927567
  O     16.62705659      5.42098233    -14.93444429
  H     15.68561437      7.78009407    -13.15952931
  H     16.08999325     11.90324128    -16.54443205
  O     18.16935944      4.37874566    -11.64448749
  H     14.94112260      8.02070614    -11.80727625
  H     13.46571400      3.85511240     -9.66906265
  O     12.01646174      6.54880415    -11.37821415
  H     13.35292074     11.57015674    -13.42997995
  H     14.30107092      5.15633117     -9.70039944
  O     19.37480258      8.06897819    -13.43431322
  H     13.38229156     10.11305874    -13.94767544
  H     14.83764499      4.54256964    -11.74148262
  O     13.51897951     13.23701483    -14.27097527
  H     18.25268938      7.31055410    -10.32960564
  H     15.57743563      5.76822985    -12.29647772
  O     13.42767712      9.16615605    -15.53259542
  H     17.26321535      7.85970271    -11.38779080
  H     18.87881300      5.40388634     -8.73259201
  O     17.04250544     12.06578994    -16.42395848
  H     16.19988304      9.94668060     -9.43044581
  H     18.24331000      5.19349338    -10.12969623
  O     13.67156376      4.61237287    -10.21028789
  H     17.45554481      9.61174328    -10.24702700
  H     16.11633021      7.10363982    -15.08886358
  O     15.49872513      4.80536712    -12.38960602
  H     20.12105983      5.19534910    -14.47820154
  H     16.51827366      8.63040461    -14.95980568
  O     18.20925602      5.73911258     -9.32221135
  H     19.37957065      6.39475142    -13.84261763
  H     14.21694475      9.28743907     -7.96510465
  O     15.77992791      8.00624510    -14.98221615
  H     17.56688032      5.36752554    -14.71638190
  H     14.23969186      8.94809286     -9.47356773
  O     14.76392572      8.91777122     -8.65404975
  H     16.16068693      5.03240715    -14.18319361
  H     17.59676798     10.66304342    -15.30396943
  O     17.66578094      9.98984499    -14.61669926
  H     17.23532691      4.39155598    -11.89502193
  H     17.23271881     10.35974800    -13.83181927
          69
 Energy    -248.58864328610457     
  O     -9.31010313      1.40937347      6.39360860
  H     -9.36757224      2.21100546      6.92678170
  H     -5.29480652     -0.34308815      0.57862937
  O     -5.11266485      0.16982189      5.52454773
  H     -8.57594682      1.53955601      5.77323725
  H    -10.64244153      1.53856171      5.27510972
  O     -8.55398917     -2.16523216      4.52561345
  H     -5.35111656      0.19402528      6.46073284
  H    -11.13095672      0.94516023      3.95476211
  O     -6.91313429      2.97843934      8.19312087
  H     -4.44461682      0.85128375      5.37459589
  H    -12.10132192      5.06985062      5.48357872
  O     -7.24681801      1.79290995      4.63265467
  H     -8.44128658     -1.81691434      5.42734611
  H    -10.87935170      5.94439737      5.18230932
  O     -6.04328303      0.38119458      8.16197659
  H     -8.84574630     -3.06883030      4.62043220
  H     -8.27767343      2.13441434      1.56491121
  O     -9.61829471      3.89296422      7.59699698
  H     -6.47027127      3.38820917      7.43745035
  H     -7.27655981      0.93198787      1.62523988
  O    -12.30453658      3.42981466      6.50065021
  H     -7.80552197      3.34125518      8.20757325
  H     -9.69933795     -0.96335056      3.53125010
  O     -6.46777599      6.21949277      4.44577119
  H     -6.57525814      1.13168237      4.84730575
  H     -9.48574732      0.22193094      2.58009498
  O     -4.61598224      2.65473763      2.28033349
  H     -7.52379531      1.65001370      3.71895621
  H     -8.14896442      5.72140997      5.03184328
  O    -10.43007786      3.95623831      3.25514999
  H     -5.64060297      0.19866935      9.00708152
  H     -9.27989174      4.75544103      4.58691462
  O     -5.62919918      0.15501445      1.31917222
  H     -6.39475887      1.28719088      8.21449563
  H     -7.15539216      4.51319338      1.74088900
  O    -11.31145046      1.65951149      4.58228357
  H     -9.31515334      4.44899716      6.86142499
  H     -5.73321616      4.06215061      2.17816578
  O    -11.77681511      5.75248001      4.88143689
  H    -10.56994034      3.80353982      7.47054280
  H     -8.78911867     -0.25052557      6.86824845
  O     -8.08192915      1.30100920      2.01008449
  H    -13.11637384      3.12831367      6.90223746
  H     -7.48321659     -0.75906153      7.46864075
  O    -10.17259521     -0.28850668      3.03043547
  H    -12.08926389      2.78541361      5.80651673
  H     -5.61017997     -1.01283692      4.21684942
  O     -8.97316212      5.30996556      5.31647115
  H     -6.09923807      7.08838576      4.31833438
  H     -6.89441345     -1.73116751      3.74653964
  O     -6.35866611      4.80178304      2.19841882
  H     -6.41184166      5.75469551      3.58842966
  H     -4.25840077      3.02054479      5.31423183
  O     -8.26678379     -1.05694260      6.99545462
  H     -4.17609090      2.50880532      3.12463201
  H     -2.72426991      2.82056913      5.25066409
  O     -6.02577502     -1.43260471      3.45086778
  H     -4.87445674      1.78615011      1.94946117
  H     -9.42713239      3.92969499      1.82873407
  O     -3.55480966      2.43541394      4.98366054
  H    -11.02779832      4.63064072      3.60757986
  H     -9.26544782      4.13349554      0.30276311
  O     -8.80373963      3.84447740      1.08546717
  H    -10.71524146      3.11171650      3.62972926
  H     -5.94009061      4.72228143      5.38422398
  O     -5.77157563      3.84765018      5.75428596
  H     -5.74076628     -0.47398382      2.05591952
  H     -6.35999720      3.22531826      5.29721890
          69
 Energy    -248.58843850918839     
  O     14.97129535     10.72416605    -15.38627031
  H     15.70195721     10.12339734    -15.57245854
  H     16.82015010      9.42529805    -11.57817618
  O     17.60207587     10.15249326    -13.01400537
  H     15.32637966     11.38705601    -14.78044993
  H     13.84904524      7.31373209    -11.92204731
  O     14.24903722     10.18002514     -9.54874320
  H     17.39247957      9.65688278    -13.81913881
  H     14.94977117      8.40929838    -11.95346378
  O     11.29260827      7.28028352    -14.26091972
  H     17.18525684     11.01786360    -13.10832859
  H     15.11575258      4.44368875    -13.13740317
  O     12.79735806      5.28897393    -15.30435787
  H     15.01531162      9.73897867     -9.95270085
  H     13.73271001      4.48524635    -13.83471741
  O     17.19648825      6.35818632    -10.76646011
  H     14.43662437     10.24853651     -8.61569072
  H     19.96416776      8.09618525    -11.96879576
  O     11.64088347      9.48073825    -10.56142685
  H     11.70161476      8.15075569    -14.35396471
  H     19.24937244      9.19103188    -12.80629840
  O     19.04812633      6.73038714    -14.71111257
  H     11.02610484      7.20599355    -13.33642451
  H     14.64603575      7.39180479    -14.04064704
  O     14.08036165     12.22256194    -11.53517827
  H     12.19333817      5.96874088    -14.95366788
  H     14.25658985      6.42957244    -15.19568714
  O     11.51052576     11.52451039    -12.52932146
  H     12.36234497      4.89293068    -16.05411776
  H     15.35462016     12.40537136    -12.69840708
  O     12.75882103      9.69986076    -14.09580780
  H     17.04501378      6.01017848    -11.65556669
  H     16.28458765     13.38471817    -13.45287083
  O     16.30088837      8.97807354    -10.89507011
  H     16.54492963      5.96541483    -10.16855503
  H     16.26919996      8.11497941    -15.28674773
  O     14.20642532      8.04147444    -12.44603086
  H     11.48156231     10.22553315    -11.15464684
  H     17.80276283      8.09535270    -15.30608032
  O     14.17889110      4.25573429    -13.00907190
  H     12.51419428      9.62904000    -10.17958276
  H     20.14817083      6.93143025     -9.55373977
  O     19.90408164      8.48388056    -12.85397380
  H     19.42640326      7.32806879    -14.04017482
  H     18.90771847      6.82783501    -10.45682695
  O     14.96147673      6.99980420    -14.86990375
  H     19.78034861      6.39454026    -15.22072383
  H     11.03549184      7.95276786    -11.11054401
  O     16.05335383     12.46311876    -13.37405798
  H     13.18059632     12.11422163    -11.86697398
  H      9.86293727      6.94358075    -11.08245388
  O     17.04633896      8.69249557    -15.34541132
  H     14.16294659     11.61130644    -10.79351280
  H     16.15481877      6.00213451    -13.92173228
  O     19.80166656      7.20162768    -10.39973406
  H     10.82025260     11.99672315    -12.98641666
  H     17.65875959      5.75451183    -13.81722354
  O     10.72333453      7.09920342    -11.46285009
  H     11.90131577     10.90295784    -13.16974750
  H     14.96832056      4.62589005     -8.68145250
  O     16.81583995      5.50872730    -13.41524000
  H     13.20850455      9.17676394    -13.41434835
  H     14.40822806      5.58450069     -9.74423388
  O     15.17087051      5.42333874     -9.16444430
  H     13.45565832     10.05872645    -14.66409189
  H     12.27876734      6.11364248    -11.15153893
  O     13.19840899      5.85344598    -11.02486130
  H     16.67161052      8.09344097    -10.77373116
  H     13.45048444      5.21349969    -11.71048642
          69
 Energy    -248.58813955686611     
  O     16.17198450     10.29429259    -17.89278189
  H     15.56949431     10.63711720    -17.20388534
  H     17.51494616      5.58173208    -16.67934933
  O     15.55347456      5.40168370    -13.88220298
  H     15.94359903     10.74183272    -18.70271315
  H     17.16130414      4.83679177    -11.21087188
  O     18.20508146     13.59623933    -11.61921206
  H     14.76210158      5.95193808    -13.82078364
  H     16.56880261      5.52671635    -12.46191395
  O     20.76239484      8.56890088    -13.94920523
  H     15.82635770      5.38267150    -14.80497944
  H     21.36998924      8.82546267    -17.06190658
  O     15.32781033      7.77278775    -16.88797236
  H     18.22954638     13.15227632    -12.47814409
  H     20.69297126      8.69848022    -15.67675077
  O     16.97424373     10.83008392     -9.46818429
  H     17.29185643     13.52435466    -11.31449726
  H     17.54389515      9.17586796    -15.15301210
  O     15.29833135      9.15730032    -12.78576152
  H     20.41749990      9.17778812    -13.28433985
  H     16.40599135      8.16507945    -15.43778434
  O     18.10182444     11.78680320    -13.78513157
  H     20.25213442      7.75749114    -13.81434978
  H     14.71209622     11.46986664    -15.06303592
  O     18.84988191      6.57110715    -13.77535152
  H     15.71275736      8.45670868    -17.44982892
  H     13.88570330     10.37406973    -15.78495366
  O     13.43491929      7.21905104    -13.27918188
  H     15.75999606      6.92397263    -17.04726939
  H     17.25913315      7.45925011    -11.06827300
  O     19.15308407      6.14262407    -16.49005920
  H     17.01915714      9.93550837     -9.82825620
  H     16.47901323      8.70527358    -11.52693054
  O     16.57852885      5.31535034    -16.68962020
  H     17.88167609     11.16050898     -9.47149068
  H     13.72806262      8.33721764    -16.18621428
  O     17.17887736      5.64812719    -11.71147547
  H     15.91872805      8.88399115    -13.48033381
  H     12.96531120      8.23907287    -14.86656731
  O     20.52342987      8.71328208    -16.63754388
  H     15.17939590     10.10875232    -12.89833140
  H     20.27630966     12.34412082     -9.48773121
  O     17.03811100      8.45088808    -14.76490815
  H     18.26782141     11.48339775    -14.68677035
  H     19.16046058     12.60862386    -10.52917892
  O     14.51476703     11.09682332    -15.92907898
  H     18.51191166     11.13861599    -13.19430794
  H     19.53935967     10.59396028    -11.28893004
  O     17.21234071      8.41580610    -10.96246820
  H     18.20046144      7.21829965    -14.09528145
  H     18.64098824      9.38614038    -11.66734170
  O     13.02193080      8.75930699    -15.67495821
  H     18.44711048      6.14670585    -13.01153268
  H     15.01216964     13.26958400    -10.05102717
  O     19.57369474     11.92250302     -9.97409729
  H     14.03836666      7.93702896    -13.02006097
  H     16.01043059     12.10029307    -10.21978083
  O     19.30647653      9.99738771    -12.01138184
  H     12.81997162      7.10437450    -12.55875667
  H     16.31075074     11.86314311    -13.52608432
  O     15.58807543     12.84617880    -10.68192596
  H     19.15760552      6.11679718    -15.52125204
  H     15.29071119     12.28906547    -12.44487568
  O     15.36555121     11.86688540    -13.30929808
  H     19.59847528      6.96502191    -16.71987195
  H     17.71522207     10.44725616    -16.89278151
  O     18.38672660     10.46056137    -16.19784970
  H     16.53808651      4.47620896    -17.14086866
  H     19.13413178      9.91774363    -16.48117572
          69
 Energy    -248.58806268836815     
  O     21.68130408     12.57090757    -17.20319938
  H     21.66461878     13.44183532    -16.76738173
  H     18.80793127     11.91855374    -18.49699865
  O     16.42055423     16.37304520    -14.58602749
  H     22.57633627     12.43270952    -17.50174020
  H     17.26966706     18.25065887    -17.10109989
  O     20.79884681     15.59250080    -13.32086755
  H     16.02196524     16.86231016    -15.31301195
  H     18.31795677     19.07194948    -16.33757173
  O     14.04733918     12.42945804    -15.32227511
  H     17.01207773     15.72914481    -15.00765884
  H     15.77001919     10.29396703    -13.56230899
  O     17.82687943     10.89233252    -17.22770877
  H     21.40840363     15.87393902    -12.64330473
  H     15.64074803      9.60603157    -14.93892542
  O     17.04205678     10.46892248    -12.16064631
  H     19.91059411     15.84709392    -13.01399525
  H     18.05560973     13.19556310    -12.71285304
  O     16.79338212      8.55514995    -16.02041608
  H     14.42119999     11.61013611    -14.94862105
  H     16.53628343     13.51280997    -12.48314989
  O     21.54912177     15.03102621    -16.06803058
  H     13.11025164     12.28511056    -15.42139573
  H     19.24654722      9.70090596    -14.52769352
  O     19.52338212     16.14227477    -17.60376616
  H     18.56066422     10.99753246    -16.60441460
  H     18.20413854      9.54993256    -13.39076033
  O     15.15353601     14.17542270    -13.35256555
  H     17.40547792     10.05688830    -16.99501347
  H     15.91462824     14.52339363    -18.21310973
  O     19.38133979     13.25274561    -13.93864879
  H     16.88162429     10.11541438    -11.28879063
  H     16.82836270     15.28841180    -19.18356852
  O     19.38827611     12.56305087    -18.91969935
  H     17.15065798     11.42786276    -12.05102306
  H     15.71336972     16.75192395    -17.64847248
  O     18.20310419     18.51036121    -17.10159681
  H     17.48370259      8.63633796    -15.33595048
  H     14.75647322     17.92373793    -17.32963724
  O     15.19624984     10.21181999    -14.33386020
  H     16.73198278      7.63052408    -16.24299369
  H     17.58543293     16.31829794    -13.08435405
  O     17.34818495     13.19962002    -12.05086214
  H     20.92689418     15.51382589    -16.63158640
  H     17.90510977     15.21065251    -12.06534650
  O     18.63652911      9.07580317    -14.11189142
  H     21.34824640     15.28774282    -15.16162678
  H     20.68255645     11.46281666    -16.06782825
  O     16.02811724     15.37756633    -18.65280032
  H     19.25656487     15.82630149    -18.47573848
  H     19.80648813     11.81591381    -14.84974439
  O     15.57652749     17.51823138    -17.06159191
  H     19.13000226     17.01621400    -17.46987664
  H     18.52491722     15.04573235    -16.52393542
  O     18.24313099     16.03327955    -12.43616264
  H     14.71917538     13.64029624    -14.02643048
  H     17.33891770     14.02669080    -16.37085949
  O     20.00768806     11.10552790    -15.47869567
  H     15.43015665     14.99504985    -13.78248917
  H     18.76950171     14.96811711    -20.85363679
  O     18.00523601     14.53503479    -15.89008417
  H     18.87997424     13.68504050    -14.65046683
  H     18.82421932     14.04261212    -19.61441977
  O     18.54325627     14.92150461    -19.92883307
  H     20.02226669     13.90660294    -13.63678903
  H     15.32528683     12.83018294    -16.56368125
  O     16.05547010     13.02847716    -17.16393887
  H     20.19958127     12.57624838    -18.39684892
  H     16.60645065     12.23627088    -17.22895694
          69
 Energy    -248.58803353116002     
  O      1.92981668     -1.26821630      6.72069044
  H      2.34482146     -1.28067921      5.84934164
  H     -1.38941175     -6.41956557      4.66093032
  O      0.71410523     -1.81769897      0.02537949
  H      1.27585679     -0.55976255      6.67968047
  H     -3.08678137     -5.57943411      3.13210781
  O     -1.25082974     -5.78709230      6.46753674
  H      1.57944036     -1.87487805      0.44671460
  H     -3.74081990     -4.41418578      3.87397512
  O     -0.74842991     -4.10221164     -0.00060779
  H      0.34121984     -0.96104414      0.26319204
  H     -0.97327632     -2.49480512      6.57274626
  O      2.55614498     -1.40907049      3.87010187
  H     -1.27545246     -6.31938362      7.25981151
  H     -1.31954489     -0.99027626      6.50296685
  O     -0.43502617     -4.15577526      2.77028368
  H     -0.62079245     -5.06937008      6.63955169
  H     -2.83132944     -4.69942586      5.99140709
  O     -0.21623983      0.57464146      6.17633543
  H     -0.27708609     -3.25692956     -0.08417468
  H     -3.09308760     -3.19790469      6.06911520
  O      3.13209752     -6.30073067      3.53473886
  H     -1.69436492     -3.92957421      0.08327107
  H      0.92101449     -3.91026953      5.83655111
  O     -2.75007918     -0.96618257      1.31694282
  H      1.79222714     -0.83559686      3.71664399
  H      1.01780293     -2.86210135      6.93556460
  O     -3.46128657     -3.63663148      0.56981807
  H      2.90840696     -1.62052390      2.99499707
  H     -0.39246252     -0.60910743      3.56015862
  O      3.12057019     -4.90264461      1.05410443
  H     -0.88562741     -4.95628939      3.07256287
  H      0.08161407      0.48760670      2.59459408
  O     -1.52933194     -6.52199616      3.71181573
  H     -0.48595754     -4.13398156      1.80784740
  H     -1.78914159     -1.92040326      4.62051003
  O     -3.67170839     -4.82253721      3.00035564
  H     -0.37570190      1.48514058      6.41252500
  H     -1.25810542     -2.69463314      3.37387037
  O     -1.70604384     -1.87291751      6.45780964
  H     -0.05154830      0.55929265      5.21912803
  H      4.04606403     -1.93363369      0.76817472
  O     -3.44432083     -4.01529764      5.69740861
  H      2.70500324     -5.50315443      3.89444440
  H      3.23357308     -3.17548740      1.19439860
  O      0.50747314     -3.64065215      6.66984306
  H      3.79574493     -6.56774026      4.16495212
  H      1.04008961     -4.11657140      3.67240874
  O      0.23369846      0.12956125      3.47623893
  H     -2.49044901     -1.21364898      2.21706436
  H      2.13839133     -3.14777394      4.18476662
  O     -1.61484194     -1.84732068      3.67550291
  H     -3.07604108     -1.78432268      0.92658551
  H      1.57126079     -7.21603673      2.88980323
  O      3.27828346     -2.20493047      1.26561641
  H     -3.55739026     -4.03681359      1.45357691
  H      0.75413618     -7.15835837      1.58935766
  O      1.80370928     -4.05017636      4.26770201
  H     -4.23975190     -3.88396839      0.07766261
  H      0.84579075     -6.71261943     -0.94701488
  O      0.73345001     -7.48797072      2.49648749
  H      3.25831666     -5.42148107      1.85594993
  H      0.26612795     -5.52768984     -0.14151907
  O      0.89963964     -6.26474783     -0.10650168
  H      2.41742360     -5.35295228      0.57078025
  H     -1.41971782      0.08424640      0.93242862
  O     -0.59668354      0.59546857      0.81819026
  H     -0.76669822     -6.99125103      3.33926780
  H     -0.80542110      1.32580177      0.24236721
          69
 Energy    -248.58800706304936     
  O     10.65689432     10.49249196    -12.34907997
  H     11.41714063     10.94073697    -12.74081455
  H     15.24827224     13.30387122    -15.57534662
  O     13.96171803      7.14723496    -15.07269015
  H     10.29059079      9.92514799    -13.03919442
  H     15.18942386      8.37401171    -14.43206267
  O     17.37987976     10.31176140    -10.35499200
  H     13.83805636      6.80135035    -14.17865196
  H     16.28923366      9.49762653    -14.36868235
  O     18.22003375      9.51506535    -17.12904277
  H     13.30596130      7.84462211    -15.21072669
  H     10.29688665      8.88741865     -9.62792206
  O     12.30227974      9.34616379    -15.34143799
  H     17.10794076      9.41325850    -10.09448355
  H     10.83457055      9.42520555    -10.97663579
  O     13.90382105      6.33595981    -12.37453232
  H     17.72731943     10.73210490     -9.57292162
  H     16.40483309      7.48948882    -12.86905223
  O     14.92407898     10.38419032    -11.75056421
  H     17.46587385      9.34237863    -17.70829251
  H     17.67971686      6.68451704    -12.63943946
  O     15.84612697      8.88835495    -18.56264234
  H     18.49875803      8.65395781    -16.79735548
  H     10.98607758      7.30884674    -11.61391924
  O     17.27355734     10.92713452    -14.99133585
  H     11.41629784      9.05281883    -15.09573099
  H     11.95689907      6.43963484    -12.44201485
  O     16.09119552      6.68092274    -16.79906181
  H     12.57110581     10.00845306    -14.68879282
  H     18.35752830     10.16975528    -11.98629503
  O     18.67575140      6.84055904    -16.08253245
  H     14.84682923      6.13283250    -12.37833798
  H     18.97720672      9.16398945    -12.98570325
  O     15.01503983     12.40238409    -15.36817853
  H     13.79906405      7.00345333    -11.67956232
  H     20.21123795      6.96760129    -13.29147001
  O     15.77444294      8.86993185    -13.84734502
  H     15.20785336      9.83662908    -12.50165137
  H     19.11425402      7.14473550    -14.36427471
  O     10.94545142      8.72605116    -10.30750777
  H     15.72065493     10.56370082    -11.23813296
  H     15.47149430      7.88997694     -9.78713814
  O     16.74906287      6.71737580    -12.39293301
  H     15.63722973      8.92985683    -19.49177064
  H     16.62222589      7.33062294    -10.63728116
  O     11.05528083      6.78054175    -12.41977827
  H     15.19526413      9.45030504    -18.10489776
  H     13.37395326     10.01535552    -16.70308789
  O     18.77166221     10.09708094    -12.85495876
  H     17.86734246     10.76757903    -14.24238321
  H     14.39683649     11.16566868    -16.68309141
  O     19.32371043      7.29122085    -13.42729065
  H     17.66735846     10.52231837    -15.77847043
  H     12.76727936      8.45770603    -10.21830915
  O     16.43447184      7.82286370     -9.82591549
  H     15.95277157      7.36339905    -17.46831864
  H     14.05289536      9.08342457    -10.82655825
  O     14.08588260     10.42279722    -17.21344147
  H     15.31127136      6.70270434    -16.22912711
  H     13.65181965     11.84673643    -14.17244891
  O     13.70236565      8.29393635    -10.38842704
  H     17.72588502      6.73103349    -16.27382735
  H     13.66981018     11.10178710    -12.82639748
  O     13.08716043     11.36837815    -13.55270126
  H     19.13607222      6.24411571    -16.66804033
  H      9.08598987      8.10107443    -14.54554290
  O      9.91531283      8.45125362    -14.23272258
  H     15.84985201     11.93137223    -15.19788064
  H     10.29872318      7.78238424    -13.63680498
          69
 Energy    -248.58756760024846     
  O     14.17637919      5.98390557     -5.04509592
  H     14.60679685      6.76144972     -4.66875645
  H     12.61336153      8.70572301     -5.73530498
  O     17.41804255     10.34897439    -10.36339673
  H     13.30632180      6.28127572     -5.34315656
  H     17.12872358      5.46345237    -11.70174711
  O     11.78648811      7.05842331     -6.15485422
  H     17.07541247     10.22751528    -11.25552864
  H     17.06434130      3.91916450    -11.72802158
  O     14.52767066      8.14091969    -11.02504088
  H     17.77897586      9.48545627    -10.11201070
  H     14.96692036      5.74985862     -6.63234393
  O     18.64063410      7.89040236     -9.89523733
  H     11.86806696      6.90144832     -7.11127909
  H     15.29075034      6.80807523     -7.72280287
  O     20.86396355      8.75499936     -8.42396515
  H     10.89866695      6.80588226     -5.91397898
  H     18.21847304      7.29343271    -11.56907067
  O     17.81700214      5.54448371     -8.63686248
  H     13.69289626      8.56940369    -10.79274322
  H     17.28197791      7.71834687    -12.70128790
  O     12.00517764      6.72914536     -8.85590338
  H     14.44623158      7.20504611    -10.79463080
  H     17.96448181     11.97855065     -5.56696874
  O     15.85931189     11.78971818     -8.45882070
  H     18.30713963      7.13084263     -9.39864912
  H     17.67470434     10.64817337     -6.30410821
  O     12.17740541      9.31079267    -10.06855547
  H     19.48415629      8.13413768     -9.49541179
  H     15.57848276      8.91888697    -12.18215285
  O     13.47071688     10.54285440     -8.05918875
  H     21.79613156      8.84595375     -8.60081871
  H     15.74689868      9.70744244    -13.50390201
  O     13.13660386      9.50266727     -5.57728262
  H     20.47971622      9.64924816     -8.46836418
  H     14.72279924      9.15849610     -8.10338632
  O     16.81433004      4.68197585    -11.21305359
  H     17.60096030      5.10285333     -9.46622486
  H     15.35653415      8.40978929     -9.28162926
  O     15.33252300      5.86167069     -7.51921880
  H     16.98713103      5.58202203     -8.13710009
  H     19.08931972     11.39962751     -7.87538949
  O     17.76234470      6.95846983    -12.35524086
  H     11.97140185      7.58654847     -9.29831278
  H     18.90878681     11.04554818     -9.36156242
  O     17.88391921     11.58893371     -6.43345577
  H     12.65699151      6.20405756     -9.33345219
  H     16.11340890      8.59808784     -4.91025947
  O     16.23014503      9.35190974    -12.76283523
  H     16.33250503     11.31059126     -9.15298930
  H     15.85667633      8.54985850     -3.38741578
  O     15.39258958      8.49812023     -8.32277819
  H     16.49071553     11.89028786     -7.73787474
  H     14.62754001      5.52866831     -9.14328298
  O     19.57327485     11.12754065     -8.66539645
  H     11.46684695      9.84309890    -10.41505215
  H     15.08967765      5.12340085    -10.55347675
  O     15.43208976      8.44565736     -4.23540579
  H     12.58380424      9.81788938     -9.34187288
  H     18.91697832      6.43252566     -7.26831386
  O     14.35479740      5.52609199    -10.07426476
  H     14.24977866     11.11255944     -8.15219172
  H     19.90793587      7.62050196     -7.20634480
  O     19.24847154      7.13433147     -6.69442358
  H     13.32165058     10.33034348     -7.12523917
  H     16.65567740      8.81826375     -7.05549225
  O     17.22351523      8.92591054     -6.27948945
  H     13.88660420      9.22463829     -5.03878002
  H     17.95072072      8.29053103     -6.35551245
          69
 Energy    -248.58730227443129     
  O     12.07656919     11.36687843    -13.17100735
  H     12.80605050     11.38695135    -13.80721471
  H     15.48908108      8.13161458    -16.33630181
  O     14.06239003      5.82488156    -12.64041270
  H     12.46586279     11.17503986    -12.30859682
  H     15.60747792      6.49489683    -10.00542342
  O     18.39551907      5.02934482    -11.85151213
  H     13.18214023      5.56945231    -12.94105657
  H     15.36776173      5.86024679    -11.39517768
  O     12.96590700      3.98291536    -15.73510297
  H     14.06408930      6.79596223    -12.65180560
  H     13.62937625      9.10893712    -12.19971984
  O     10.11872402      9.60370601    -13.69406035
  H     18.93716607      5.82027339    -11.95605368
  H     14.74145667      8.93713722    -13.26636453
  O     13.91873470      8.99527598    -16.90749989
  H     17.60815600      5.30416356    -11.36045384
  H     15.03813700     10.88255518    -14.56275678
  O     14.64117165      7.54737282     -8.90843211
  H     13.08729033      3.10706868    -16.09312709
  H     14.10004771     10.61833639    -15.73887669
  O     19.66822642      7.52483653    -12.57681727
  H     13.85605208      4.34098315    -15.59462564
  H     10.85323585      6.67229263    -12.52273086
  O     12.15037305      8.19589813    -14.97437103
  H      9.29750330     10.04949373    -13.87992902
  H     10.38814730      8.14390364    -12.47566236
  O     17.93023153      4.13468261    -14.35864910
  H     10.77787696     10.29544311    -13.49596374
  H     14.98896793      5.36517376    -14.11397599
  O     18.76056376      6.79990515    -15.03156215
  H     13.53738823      9.02650704    -17.78140191
  H     16.23718675      4.71759660    -14.78673385
  O     16.19733519      7.69207278    -15.84962432
  H     13.22597564      8.66255143    -16.31161400
  H     11.90286965      4.94191038    -14.57474097
  O     16.06172338      6.11496740    -10.77144256
  H     13.70655271      7.63499076     -9.13362166
  H     11.74385574      6.46365364    -14.41582395
  O     13.95243426      8.52298668    -12.89412206
  H     15.02185804      8.42690086     -9.01640428
  H     11.47243772      7.79348072    -10.43645306
  O     14.22589516     11.19816946    -14.98009190
  H     19.38410380      7.33213385    -13.48876409
  H     11.26008414      8.06092578     -8.93183281
  O     10.65153232      7.39894750    -11.92097793
  H     20.58959311      7.76508752    -12.62042949
  H     16.39778509      8.96367931    -14.54368989
  O     15.39645486      5.15686309    -14.96829892
  H     11.35534498      8.68145242    -14.71932839
  H     16.74230068      9.29947610    -13.05879569
  O     11.59751381      5.62251820    -13.95893934
  H     12.78576669      8.34043106    -14.25502212
  H     12.71954222      9.62904246    -10.32323397
  O     11.91119485      8.11075990     -9.62741457
  H     18.37222920      3.30282342    -14.50430744
  H     14.10900887     10.32140047    -10.43611709
  O     16.30225828      9.63358279    -13.85085609
  H     18.08611976      4.37690448    -13.42761577
  H     16.37391958     10.67248273     -9.25493574
  O     13.22931548     10.27436432    -10.83206364
  H     17.98282114      7.19268832    -15.44738105
  H     16.41461040      9.59008996    -10.35567672
  O     15.82741438     10.05910314     -9.74017010
  H     18.56030261      5.86026321    -14.93605435
  H     18.20052869      8.27341985    -11.77714832
  O     17.31223359      8.51300526    -11.48330607
  H     15.86357867      6.81872399    -15.59887237
  H     16.85410864      7.68334915    -11.28275987
          69
 Energy    -248.58688137106338     
  O     18.13468957     10.85677603     -8.16917630
  H     18.91532869     10.96463262     -8.74051685
  H     16.02568796      9.08362882    -10.00902388
  O     18.32750670      5.23667184     -9.29171192
  H     17.99525371     11.69456501     -7.73456358
  H     20.29536945     10.79816983    -10.75560136
  O     18.60359247      5.69473650    -13.15785037
  H     17.86035485      4.79802013    -10.01453656
  H     20.83554075     10.22705489     -9.44090338
  O     22.30332165      6.26495123    -10.34978658
  H     18.50602906      6.14447800     -9.58376539
  H     16.36972385      7.72808877    -14.95883031
  O     16.83355699      4.26837878    -11.40426542
  H     17.93291005      6.26838880    -13.54993571
  H     16.96189689      8.38757884    -13.69003129
  O     20.56702696      7.36444372    -12.31711088
  H     18.12657112      5.05067302    -12.62089921
  H     12.41187336      4.53732680    -12.34050780
  O     20.67916434      7.42131992     -6.46549242
  H     23.12936442      5.80604995    -10.47593315
  H     13.66039456      5.30025864    -11.84210175
  O     14.32541834      4.56652716     -7.49494070
  H     21.82391675      5.78777876     -9.64799799
  H     15.53326109      7.24886552     -8.90796854
  O     21.24154181      8.47744793     -8.93833082
  H     16.27853764      5.01959566    -11.65686118
  H     14.08557476      7.36072104     -9.43422444
  O     18.84612483      7.79290984    -10.14790782
  H     16.23439202      3.68004678    -10.92211983
  H     15.11096291      6.90375777    -11.22943804
  O     17.97279653      8.36913774     -6.66560817
  H     21.19729337      6.91381986    -11.74160225
  H     15.53587639      6.85418656    -12.74202994
  O     16.74943925      9.66028482    -10.29348666
  H     19.96409898      6.70127251    -12.69058837
  H     20.98813808     10.44216105    -13.21608590
  O     20.31872109     10.95916539     -9.80504027
  H     21.29827881      7.65760173     -5.77860753
  H     20.52602921      9.13339492    -12.53726185
  O     16.61511723      7.55317402    -14.05433223
  H     20.96786668      7.87949818     -7.27278325
  H     17.09465122      5.82626564     -8.12837684
  O     12.93545274      4.71512817    -11.56357754
  H     15.07550952      5.18253043     -7.43999034
  H     16.90033642      7.04301389     -7.18036565
  O     14.98652474      7.68557740     -9.57551524
  H     14.20350663      4.20773919     -6.61950903
  H     12.58036785      5.71646245     -9.95198455
  O     15.08502264      6.37275608    -12.03798059
  H     20.34575557      8.29403416     -9.26843581
  H     13.10510283      5.64893003     -8.50947670
  O     20.38365753     10.09497930    -12.56425375
  H     21.81523890      7.85769493     -9.40433481
  H     18.51129403     10.00166927    -12.86339404
  O     16.43514022      6.31236034     -7.61280632
  H     19.28689036      7.67721939    -10.99989216
  H     17.21217333      9.87420003    -12.03303446
  O     12.68640929      6.24086118     -9.14852954
  H     18.13063064      8.43011177    -10.25601088
  H     19.99761880      5.00969855     -8.61057964
  O     17.57190051      9.79672783    -12.92859038
  H     18.87139720      8.05244854     -6.51219637
  H     20.82718430      5.75579530     -7.55017217
  O     20.90376849      5.15699483     -8.30106699
  H     18.05097584      9.21031882     -7.12970292
  H     14.64096979      3.52129884     -9.09765924
  O     14.75599160      3.13907852     -9.97600807
  H     17.07153609     10.14649265     -9.52442748
  H     14.04979669      3.51963597    -10.51335004
          69
 Ord_Energy   -248.585846    
 O   -1.70616126       2.57945848      -4.22260904    
 H  -0.763749480       2.60021901      -4.00911283    
 H   -2.16041470       2.24397421      -3.43881249    
 O   -1.46501243       6.05586481       2.08749676    
 H   -1.00779891       6.15451717       1.24228585    
 H   -2.24350214       5.51892328       1.89369166    
 O    1.69040871      0.209861413       1.53109419    
 H    1.91849256      0.606413662      0.685733318    
 H   0.789062858     -0.129027486       1.42429042    
 O  -0.967943907     -0.419397146       1.05049503    
 H   -1.00610495     -0.435803890       8.46740305E-02
 H   -1.78609204     -0.795638442       1.39857411    
 O  -0.835322082       6.52488992E-02  -1.66892231    
 H  -0.903718889     -0.418226838      -2.48841119    
 H   -1.54044247      0.736102700      -1.67724049    
 O    2.02172089       3.98349833       3.10786009    
 H    2.01627278       3.09219623       3.47886944    
 H    1.31943774       4.45932388       3.56882834    
 O    1.60919189       1.29860759       4.01816130    
 H    2.17688417      0.789329052       4.59072685    
 H    1.68307066      0.903139710       3.13147712    
 O  -0.319325447       5.10178041       4.34099913    
 H  -0.716775775       5.48953485       3.54055619    
 H  -0.324142545       5.78538704       5.00568581    
 O    1.53279984       1.57439160      -1.15716183    
 H   0.731687486       1.04369509      -1.26143968    
 H    1.33732557       2.30051231     -0.542357862    
 O   -3.43270969      0.900249779       3.96242881    
 H   -4.04383850       1.53640890       3.56814432    
 H   -2.64603829       1.39163041       4.22852850    
 O    1.07197380       2.88138533      -3.56027603    
 H    1.32011521       2.44555449      -2.72993374    
 H    1.79991901       2.74476600      -4.16303110    
 O   -2.70716381       4.69846487      -1.38679588    
 H   -1.87286246       5.06558418      -1.05709708    
 H   -2.77857637       4.97104597      -2.30855346    
 O   -5.19175243       2.59432530       2.46900010    
 H   -6.01639748       3.02689528       2.67427731    
 H   -4.61755371       3.26387691       2.05740762    
 O   -4.42960358      0.843375504      0.284241915    
 H   -4.80819464       1.44225359      0.938534081    
 H   -4.13606548       7.93456435E-02  0.794081628    
 O   -1.36355972       2.31856441       1.59956682    
 H   -1.30843437       1.38746381       1.35471869    
 H   -1.24791956       2.35621691       2.55960703    
 O   0.240962148       5.63537645      -3.17991734    
 H  -0.627349198       5.63666058      -3.60083318    
 H   0.589756429       4.74479818      -3.30811787    
 O   -2.44692969       5.20366001      -4.15626764    
 H   -2.22846746       4.26650572      -4.30493164    
 H   -2.95044160       5.49432325      -4.91148663    
 O  -0.299446136       5.75743389     -0.477629334    
 H   0.214952290       5.02060270     -0.115816630    
 H   -8.77050962E-03   5.87629461      -1.39294982    
 O  -0.988205492       2.36598945       4.33785439    
 H  -0.822391570       3.31157064       4.45515442    
 H  -0.124170102       1.93093622       4.33131409    
 O   -3.41539288      -1.10953736       2.14592624    
 H   -3.41239977     -0.439148992       2.85385585    
 H   -3.83924198      -1.88525879       2.50209999    
 O   -3.37992716       4.15316105       1.21713102    
 H   -3.35709333       4.43256712      0.292149067    
 H   -2.68568182       3.48051739       1.31425750    
 O   -2.80758858       1.90763175      -1.68246579    
 H   -3.44237566       1.54239702      -1.04821754    
 H   -2.74927568       2.85843134      -1.52156079    
 O   0.907815397       3.54975104      0.635870636    
 H    1.43233991       3.75861597       1.42159653    
 H    9.17664990E-02   3.13722754      0.954869628    
          69
 Energy    -248.58531831590213     
  O     14.71788104     10.18353927    -16.65198572
  H     15.49495611     10.24530841    -16.06922670
  H     20.10716546      5.73344297    -14.75399648
  O     13.40639798      3.93591335    -16.08589446
  H     14.40827496     11.07615564    -16.78556560
  H     17.68514982      7.64586704    -15.82756944
  O     17.70659820      6.76288472    -11.89068167
  H     12.59763027      3.55358013    -16.41778348
  H     18.98995969      7.75621913    -16.64436869
  O     19.64912565      6.52459060    -17.86229965
  H     13.44148926      4.85119149    -16.41857840
  H     15.41211958      6.53730242    -15.92855302
  O     17.12973671      6.06172731    -18.69312828
  H     18.53379598      6.89839158    -12.36634375
  H     16.63468824      5.74768947    -15.37812189
  O     13.45478610      6.98005698     -9.95197552
  H     17.06694793      7.37512539    -12.28647805
  H     12.85804584      8.27670071    -14.35455756
  O     13.90071824      4.79673356    -13.42778596
  H     18.76008524      6.31269202    -18.20309107
  H     13.38499845      9.15253296    -15.53482576
  O     15.87168173      8.26190076    -13.26650025
  H     20.23709155      6.52055650    -18.61218731
  H     15.69416578      2.63104726     -9.51056941
  O     17.44347112      4.12006915    -15.17193326
  H     16.68627055      5.26947286    -18.35360214
  H     14.74275433      3.61272419    -10.23912567
  O     13.18307288      4.23017006    -10.75864570
  H     16.48983275      6.77931829    -18.66069716
  H     13.26143219      7.16464149    -16.29596339
  O     15.96574699      3.84027194    -17.48777730
  H     14.39998568      6.79009204     -9.81342917
  H     14.10443379      6.97642819    -17.59049517
  O     20.01607868      5.04076201    -15.41866120
  H     13.14824795      7.43107176     -9.16992419
  H     19.40331974      7.70686245    -14.41354011
  O     18.50421527      8.15837831    -15.91361486
  H     14.83151703      4.63997102    -13.21624981
  H     20.59538750      7.92167954    -13.45498265
  O     16.23541324      6.62652698    -15.43667681
  H     13.72896322      4.41118322    -14.29462193
  H     16.97920663      5.14539247    -12.34064163
  O     12.72650945      8.49391302    -15.28733420
  H     14.96681253      8.10711852    -12.96852050
  H     16.34480335      3.86757112    -11.73368548
  O     15.67754255      3.42271766    -10.04071441
  H     15.99733997      7.67677830    -14.03126382
  H     16.04018864      5.27750727     -9.63795975
  O     13.72824582      6.50821899    -16.83695506
  H     18.38811296      4.32583526    -15.22451093
  H     16.73193441      6.49213537    -10.28667324
  O     19.86939372      7.33242987    -13.64749648
  H     17.20782736      4.00528058    -14.24253234
  H     15.02217252      8.90872993    -17.93970649
  O     16.54408647      4.31086758    -12.56693006
  H     13.26882251      4.32361516    -11.71760446
  H     14.89367582      8.56550592    -19.43902093
  O     16.06046537      6.24273084     -9.63899534
  H     13.10348003      5.12931858    -10.41677713
  H     13.45713984      6.52730981    -13.02674338
  O     15.11979596      8.19398574    -18.58893359
  H     15.08263486      3.71802591    -17.12601205
  H     13.23293180      7.38765294    -11.75964837
  O     13.29765779      7.43361841    -12.72153483
  H     16.55493123      3.77493349    -16.72123078
  H     17.55768797      9.69309375    -15.37346909
  O     16.84549738     10.22222752    -14.99029762
  H     19.98399841      5.48982806    -16.27354648
  H     16.51663963      9.70397705    -14.24143552
          69
 Energy    -248.58494333130994     
  O     12.42195701     11.48334389    -16.83248923
  H     13.12721462     11.37476657    -17.48284876
  H     20.05117620      9.82467270    -12.97503887
  O     18.21488967      9.60877870    -10.19719125
  H     12.84215812     11.84506252    -16.04253368
  H     15.30004921     11.75751602    -15.69449451
  O     17.78639319     11.70846707    -14.05598417
  H     17.74087009      8.79936894     -9.96910804
  H     15.64773541     11.34990606    -17.14952128
  O     16.39856555      5.47792619    -14.30582362
  H     18.54961217      9.49234509    -11.09636375
  H     15.77698505      9.08807418    -13.78133564
  O     14.41323482      9.35706029     -9.40640734
  H     17.37450669     11.69202573    -14.92881130
  H     15.46659138      8.22376559    -12.51884240
  O     15.41266224      6.49450518    -11.89958167
  H     17.22173507     12.28315308    -13.52681626
  H     11.51758379      9.98264563    -16.85688191
  O     12.89042031     10.03563129    -13.04273173
  H     16.56983049      4.59859973    -14.63444316
  H     10.25552757      9.20955857    -17.30837380
  O     13.58821727      8.25503389    -18.13551543
  H     15.70810401      5.85585324    -14.87715969
  H     12.40302452      6.88713258    -13.00687196
  O     16.49084503      7.37770734     -9.55299532
  H     15.06832184      8.65534263     -9.31430746
  H     12.38267747      7.35253630    -11.53973717
  O     16.21651026      8.88332011    -15.52186453
  H     14.88288147     10.08590324     -9.83225353
  H     15.86857590     14.03498068    -12.15745964
  O     14.50540393      6.81916076    -15.80003168
  H     15.77806773      6.03725255    -12.66659046
  H     15.82129988     12.50529160    -11.92697849
  O     19.12573102      9.59544654    -12.91210667
  H     14.44435093      6.44590480    -11.94991604
  H     18.69670513      8.10290313    -14.02565894
  O     16.03467679     11.52511748    -16.28207481
  H     12.45991068      9.81742798    -12.20733812
  H     17.92770412      6.81413687    -14.45622957
  O     15.45413509      9.12209136    -12.87160209
  H     13.79774553      9.69630180    -12.97307074
  H     16.85490520     10.73480041    -10.58495548
  O     11.12717887      9.09385841    -16.94006260
  H     13.95279660      7.62717582    -17.50144918
  H     15.83633433     10.40643892    -11.68893929
  O     12.70024514      6.64867450    -12.11952620
  H     12.69078294      8.44032225    -17.82998484
  H     14.71214833     10.88919654    -19.49999533
  O     15.76218656     13.20037156    -12.60642220
  H     16.14120793      6.98497228    -10.37083492
  H     14.31652407      9.83020882    -18.44555659
  O     18.46243956      7.54729546    -14.78140527
  H     16.67364476      6.65451329     -8.95818813
  H     11.30861884      9.12226804     -9.96194806
  O     16.03373729     11.05000071    -10.98982048
  H     16.25855584      9.78517061    -15.85813951
  H     12.84953571      9.10345642    -10.10267322
  O     14.59613846     10.75543473    -18.56307089
  H     17.10916230      8.51950136    -15.42808825
  H     13.48189838     11.46212210    -13.99995300
  O     12.01347289      8.97402304    -10.58616791
  H     13.68079689      7.08201123    -15.36911084
  H     14.47948712     12.63640222    -13.87834845
  O     13.93424703     12.15029536    -14.50956401
  H     15.09369908      7.59298482    -15.76281584
  H     12.38613038      8.64845476    -14.12758953
  O     12.17025708      7.85600992    -14.64025330
  H     18.63851795     10.33794830    -13.30997574
  H     11.69028878      8.17223487    -15.41524802
          69
 Ord_Energy   -248.584152    
 O    1.93790913       1.00345480       11.7606688    
 H    2.31859040      0.161927119       11.4713469    
 H    2.68846083       1.60465491       11.8204727    
 O    6.42914867       1.96439946       7.25641203    
 H    5.82227278       1.33105576       6.83659029    
 H    7.22641706       1.96966577       6.73204374    
 O    4.58963585       4.20092964       7.20858145    
 H    5.27669287       3.52885270       7.14709568    
 H    3.99738693       4.07482147       6.45119476    
 O    5.20972157      -3.50318575       8.35356331    
 H    5.82539177      -4.23246002       8.37453556    
 H    5.54218531      -2.84057689       8.97933865    
 O    2.74621677      0.993427277       4.29333401    
 H    1.87186313      0.897204876       4.69500685    
 H    3.39566731      0.807460248       4.98783493    
 O    4.34441328       2.61231351       11.5077190    
 H    4.62271547       3.31619716       12.0882149    
 H    3.89359927       3.03553271       10.7531881    
 O   0.132480711      0.629837692       5.41393471    
 H   0.174083158      0.433573335       6.36278868    
 H   -3.42062488E-02 -0.211921677       4.97403193    
 O    6.04474115      -1.64222300       10.2708454    
 H    6.58398438      -1.84132767       11.0323000    
 H    6.14159250     -0.685759425       10.1075029    
 O    3.83050680      -2.42288280       6.13652897    
 H    4.36844826      -2.85041595       6.81339359    
 H    2.91864848      -2.42984676       6.46297264    
 O    2.45945096      -3.44326472       9.30851078    
 H    3.34152579      -3.64541817       8.97478008    
 H    1.91082466      -3.27424836       8.53117657    
 O    1.14539933      -2.46455550       7.00512838    
 H   0.693347037      -2.47202015       6.15334654    
 H   0.845703423      -1.66418278       7.46048069    
 O   -5.62786609E-02   3.33041167       5.98892975    
 H   -7.60667697E-02   2.40382814       5.70153999    
 H  -0.725354075       3.78670216       5.48304129    
 O  -0.386734962       1.36263597       10.3718729    
 H   0.426741242       1.26648057       10.8988075    
 H   -1.11272991       1.35078406       10.9898634    
 O    3.08033347       3.49827409       9.32976627    
 H    2.14352322       3.67856884       9.16876602    
 H    3.60514474       3.85604405       8.59733486    
 O   0.414175600       3.64924955       8.80502796    
 H   0.190491065       3.53162193       7.87386560    
 H    2.59200092E-02   2.91060734       9.28898048    
 O    6.14923573       1.01084244       9.94317722    
 H    6.25763750       1.43172443       9.08187199    
 H    5.58143234       1.57892108       10.4777203    
 O   0.437065214       6.20339997E-04   8.07083607    
 H   -2.94958707E-02  0.352614105       8.83695221    
 H    1.34877276      0.322337180       8.15547276    
 O    8.80719125E-02  -2.02365804       4.39391422    
 H   0.988316000      -1.98532510       4.02252579    
 H  -0.442253828      -2.52718878       3.78264689    
 O    3.24798322      -1.10550642       10.5212593    
 H    2.84829760      -1.91638434       10.1738987    
 H    4.19329643      -1.27592099       10.5900574    
 O    4.50376987      0.258620113       6.34104967    
 H    3.95795798      0.500983000       7.10719347    
 H    4.39197969     -0.692711234       6.21961451    
 O    2.67069459      -1.75860476       3.61710644    
 H    3.21046209      -2.10575628       4.33885622    
 H    2.78553343     -0.798592329       3.64086628    
 O    2.72865438       3.69639158       5.21302986    
 H    2.81465626       2.87066293       4.72164106    
 H    1.81159484       3.72127771       5.50772619    
 O    2.98455620      0.833984435       8.50045586    
 H    3.14513159      0.243662551       9.24889851    
 H    3.01445055       1.74971306       8.80726147    
          69
 Energy    -248.58411470740373     
  O     14.92435630     11.54889183    -10.91737902
  H     15.38713554     11.58315854    -11.76569184
  H     17.30107322      5.36353005    -14.45844247
  O     15.07625118      7.22362124    -14.95292203
  H     15.56585991     11.19479435    -10.29100367
  H     19.08081935     10.19514949    -11.82872141
  O     15.48225580      5.36716652     -9.83105973
  H     15.44418109      6.37288184    -14.68410773
  H     18.99293767      8.73860837    -11.34615072
  O     18.68617683      7.11635599    -12.23430651
  H     14.15325865      7.26165171    -14.66633253
  H     17.14725613      8.08821614    -12.69916496
  O     14.57464111     11.47519870    -15.53358069
  H     15.51256080      6.33480469     -9.85825931
  H     15.86495421      8.08803839    -13.58838052
  O     12.51115560      7.54012854    -13.95860083
  H     14.58959124      5.12821244    -10.10733374
  H     13.29175390     10.98103066    -11.14003122
  O     15.41237789      8.10341154    -10.27307847
  H     18.92685127      6.85828784    -13.13361964
  H     11.79020848     11.26259667    -10.90230696
  O     18.71453933      8.91735614    -15.40657368
  H     18.36057006      6.31303819    -11.80811263
  H     14.77519743      4.26765058    -13.69434201
  O     11.56074024      5.04586961    -14.59221662
  H     13.81321822     11.06794078    -15.08141431
  H     13.68432462      4.39328376    -12.59772738
  O     18.90111222      6.29600548    -14.92604288
  H     14.22669605     12.16991640    -16.08545947
  H     12.45922670     10.52177543    -13.22956007
  O     16.20301109      9.29619408    -16.45511083
  H     12.60168665      7.57880644    -12.99806027
  H     12.46834106      9.36111022    -14.24088122
  O     16.52845071      5.00254614    -14.00359211
  H     12.05814334      6.71573439    -14.18637720
  H     17.98540015      3.90166627    -11.04520584
  O     18.95157983      9.65426279    -11.04002919
  H     15.68066238      8.23682357    -11.19598908
  H     16.81670858      4.88099667    -10.78073716
  O     16.28750431      8.50859697    -12.82820983
  H     15.86140462      8.79115201     -9.76932556
  H     12.75144036      6.06751832    -11.00842712
  O     12.39228811     10.65443860    -11.32295353
  H     17.86712552      9.11870507    -15.83393943
  H     12.05123540      4.70980329    -10.79904050
  O     13.85993593      4.05175261    -13.48360371
  H     18.89912834      9.63781393    -14.79672189
  H     19.42175637     11.92642008    -13.73661913
  O     12.56543701     10.32020979    -14.16641187
  H     12.36969635      4.60279271    -14.28328451
  H     18.05048551     11.26340258    -13.46872374
  O     17.55697860      4.68384800    -11.38196977
  H     11.27691137      4.56837119    -15.36728347
  H     12.48530922      8.78633214    -11.17540110
  O     12.90128939      5.10944181    -10.97046081
  H     18.83705562      7.23919279    -15.16814544
  H     13.70253724      7.94235472    -10.78382437
  O     19.00880520     11.09897892    -13.50233711
  H     19.60064279      5.92743538    -15.45844758
  H     17.31106439     10.51566288     -8.48353493
  O     12.80976833      7.87738421    -11.15543022
  H     15.76153595      8.52832728    -16.06516769
  H     17.67439037     10.06721318     -9.91699537
  O     16.92982394     10.25602131     -9.31777069
  H     15.64131645     10.05262073    -16.25361052
  H     15.73467996     11.39026194    -14.11825023
  O     16.28653898     11.22164274    -13.34413997
  H     16.82393348      4.84549738    -13.09683767
  H     16.25974203     10.26633415    -13.17252477
          69
 Energy    -248.58404989488776     
  O     15.63648680     14.01920983    -15.86303983
  H     15.16046851     13.58038858    -16.57617163
  H     14.95012054     11.10658134    -14.94313105
  O     17.01709526      8.75228087    -16.71849155
  H     15.91472516     13.31716154    -15.25374415
  H     17.09170734     10.36349502    -17.48749307
  O     15.02993399      9.86332070    -11.49672607
  H     16.16719857      8.41701915    -16.40625683
  H     16.25893202     11.61370732    -17.86491762
  O     18.20760588     15.70231827    -13.38516731
  H     17.62522857      8.65315368    -15.97718677
  H     14.19379647     11.64983046    -16.87692387
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  H     13.70589256     12.10015882    -18.27422852
  O     13.35093483      7.86964637    -10.47944510
  H     15.58794115     10.61757105    -11.25952386
  H     18.95035122     12.60358992    -12.81349380
  O     14.50428981      5.91407700    -11.96964340
  H     18.69757388     16.51392882    -13.28289089
  H     18.59723714     14.08173426    -12.51800683
  O     16.30729876     11.90484778    -14.15642721
  H     18.31994799     15.42314467    -14.31191744
  H     17.81119809      8.30486561    -13.76170090
  O     12.93595601     11.20464156    -12.87088754
  H     13.86889921      7.60646413    -15.00081007
  H     19.23910884      7.87562676    -14.15978738
  O     16.26978922      7.88671924    -12.95862111
  H     15.27043789      8.02246954    -14.52611885
  H     12.12472794      7.55648414    -13.41882255
  O     19.01716624     11.36302822    -14.29382204
  H     12.56389231      8.17345628    -10.94847351
  H     13.16608742      6.42767156    -13.30364111
  O     14.13322166     10.75191616    -15.33042759
  H     14.00487235      8.57085656    -10.61186941
  H     14.36943455     14.34061993    -12.44918311
  O     17.15792809     11.27910297    -17.80018348
  H     14.08782405      6.53585378    -11.34558294
  H     13.39228579     14.25326629    -11.25659640
  O     14.41236325     12.20753971    -17.64304072
  H     14.53392693      5.06573858    -11.53570745
  H     17.38067318     14.62804902    -16.07787448
  O     18.68708077     13.21103440    -12.11017417
  H     17.23800955     11.69988678    -14.31402061
  H     18.79220034     14.04566274    -16.27943773
  O     18.58648361      8.56021318    -14.28901904
  H     16.22362807     12.03795210    -13.20534844
  H     17.13907128     12.66462098    -11.45958033
  O     12.59408425      6.88711347    -13.93116196
  H     13.24107824     11.11339960    -13.78551333
  H     15.58017260     12.91259290    -11.33623676
  O     13.88721173     13.71967761    -11.87351262
  H     13.18268034     12.08567953    -12.56309289
  H     10.47685202      9.16529906    -12.23059280
  O     18.31986866     14.81368709    -15.93859984
  H     15.81285947      7.09513000    -12.64712142
  H     11.85743554      9.80445101    -12.48920019
  O     16.27640902     12.24690604    -11.31231275
  H     15.91089310      8.62607817    -12.44487307
  H     16.29464501     15.54381318    -13.29029378
  O     11.40880906      8.96761164    -12.28627354
  H     19.27801261     11.65493269    -15.17792841
  H     15.31032366     15.03379396    -14.35202059
  O     15.36269471     15.34207381    -13.43658310
  H     18.97762739     10.39820308    -14.29384183
  H     18.60983723     11.99041425    -17.26093010
  O     19.42917704     12.35521138    -16.87632636
  H     14.24614344      9.79325237    -15.39127814
  H     20.10691827     12.26854433    -17.54076556
          69
 Energy    -248.58399959683715     
  O     13.95487427      9.05128467     -9.45042344
  H     14.74884013      9.61052801     -9.53374524
  H     16.93688829      7.71396867    -16.71513462
  O     16.69995498      5.23389204    -13.19207848
  H     13.45995017      9.37893353     -8.70508628
  H     15.14043148     10.30963369    -16.18286811
  O     16.09311584     11.90256087    -12.37574397
  H     16.01754509      4.98008244    -12.55739770
  H     14.45498485     11.25712001    -15.18809344
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  H     17.52143235      5.42072960    -12.72138618
  H     16.06483349      6.94383411    -13.44912532
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  H     15.20529207     11.76912870    -12.74541873
  H     16.44384733      8.45788023    -13.37570843
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  H     16.32437619     12.81212304    -12.55072105
  H     15.12026483      6.15548315    -10.50698385
  O     13.62532999     11.26479566    -13.43818018
  H     11.27747922      9.02583726    -14.29871923
  H     14.94243064      7.45000178     -9.67876735
  O     12.26397032     10.40954116    -17.11792158
  H     12.29648365      8.33958726    -13.38219855
  H     20.01919667      5.72269798    -12.08297442
  O     16.25266223      4.94630933    -15.92756211
  H     18.44770909      7.52952502    -11.07818429
  H     19.26929436      6.68212349    -13.03966386
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  H     17.05800432      7.68682276    -10.43958797
  H     14.03790511      4.04083921    -11.24510444
  O     13.57490137      4.94809318    -16.31606736
  H     12.98806886      5.26106826    -14.54555579
  H     13.77151939      5.10504265    -12.33221324
  O     17.75792976      7.20825709    -16.84772638
  H     12.19909596      6.32710435    -13.76184010
  H     17.82875998      9.25084649    -12.16768423
  O     14.75300493     11.19179875    -16.10323489
  H     13.61867200     10.41302276    -12.97577487
  H     17.25062427     10.49995897    -12.90079304
  O     15.72056908      7.83946240    -13.54865563
  H     12.74915867     11.34022515    -13.83433202
  H     18.77108550      7.52862172    -15.27099950
  O     15.59669979      6.80830421     -9.98084652
  H     13.13997780     10.77503637    -16.92229761
  H     18.80039261      8.53861406    -14.09719344
  O     19.18768649      6.17044484    -12.21341520
  H     12.38343786      9.45440327    -17.18631066
  H     12.40627574      7.80924956    -15.76274465
  O     14.39632266      4.83337944    -11.63670921
  H     16.46054586      4.93508895    -14.98285767
  H     12.99808474      6.69650555    -16.65998380
  O     17.73004282      9.67458240    -13.03517216
  H     16.82853921      5.61408775    -16.31680728
  H     16.22152792     10.99766155    -10.68130129
  O     19.19908304      7.72251800    -14.42873335
  H     14.53727875      8.19538804    -16.47786022
  H     16.92642720      9.76896391    -10.05130285
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  H     15.49364646      8.23231637    -15.26679999
  H     11.44539058     10.78582855    -15.63335943
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  H     13.34706124      4.16790039    -16.81468662
  H     10.29611385     11.42274471    -14.81756735
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  H     14.33076109      8.37577021    -12.58140684
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  H     18.07264750      7.42047911    -17.72290650
  H     13.62801984      8.83723295    -11.25121558
          69
 Energy    -248.58397529604065     
  O     -5.69376613      3.43001036     -1.68716334
  H     -5.90877689      3.04347406     -0.82990939
  H     -4.25197578     -0.20611671      2.39114163
  O     -2.12617068      3.25955334     -3.73293850
  H     -5.29384854      2.71658229     -2.19799436
  H     -0.48466563      2.28387569      1.78437590
  O     -5.61756804      1.91185576      0.75352355
  H     -2.04670813      3.66959249     -4.59015050
  H      0.73594510      1.66302452      2.50223087
  O     -3.13005401     -1.04089852      1.16305803
  H     -2.54012100      3.91765917     -3.14289330
  H     -1.43155882      4.06464914      0.42635688
  O     -0.22674360     -0.35742011     -1.56594401
  H     -4.72776742      1.84072257      0.36963955
  H     -0.63570067      3.03723341     -0.46343069
  O     -3.95603018      1.31466006     -2.78313959
  H     -5.56692443      1.39543194      1.57217650
  H      2.51438893     -1.18310071      0.24999130
  O     -4.40961675     -2.41848716     -0.92276526
  H     -3.48854117     -1.64420878      0.50052663
  H      2.50163785     -0.35356756      1.54675321
  O     -2.55233514     -1.20333526     -2.72578416
  H     -2.17345475     -1.17350616      1.22077810
  H      2.51007421      1.77520027      1.00969197
  O     -0.04027971      2.39076160     -2.02357591
  H     -1.00427578     -0.71699527     -2.01642610
  H      3.30278219      1.97371500      2.32218556
  O     -0.40791485     -0.79042350      1.20311625
  H     -0.34749068     -0.48941569     -0.61595165
  H     -1.75918469      1.95897870      3.45714657
  O      2.48790971     -0.75375325     -1.64036261
  H     -3.39058507      1.91281026     -3.28649344
  H     -2.46597953      2.30322165      4.78255105
  O     -4.75691403      0.43872608      2.90712561
  H     -3.60954698      1.33087376     -1.87318862
  H     -5.42686682      0.28779331     -1.98164884
  O     -0.22889196      1.69542951      2.51396243
  H     -5.03956471     -1.68441278     -1.03724470
  H     -6.04081523      0.44493210     -0.57871290
  O     -1.02810813      3.18844126      0.40798939
  H     -4.91370194     -3.22630537     -0.97195800
  H     -3.02195048      0.57263075      0.28844708
  O      2.30311475     -1.22907865      1.19107421
  H     -3.13485589     -1.74445644     -2.17864943
  H     -2.39032069      2.00364240      0.07657337
  O      2.52569214      1.55676995      1.95904005
  H     -3.05460807     -0.40662453     -2.93392502
  H     -2.41458066      6.40620574      0.98576698
  O     -2.62106767      2.16938101      3.84982797
  H     -0.67589813      2.68336331     -2.68751193
  H     -3.12793274      5.04387314      1.17466171
  O     -5.92080463     -0.18394720     -1.29936684
  H     -0.14890273      1.43289296     -1.92144346
  H     -3.07629787      5.23713116     -1.17705270
  O     -3.08763711      1.40098488     -0.20548990
  H     -0.41507872      0.03999772      1.69760171
  H     -4.25450000      4.54061312     -1.89169452
  O     -2.51416649      5.53940870      0.60200460
  H      0.49653201     -1.12982362      1.25886800
  H     -3.58817783      3.40067644      2.76397758
  O     -3.37682592      4.92368920     -2.03670252
  H      1.52060591     -0.68654571     -1.72035323
  H     -4.74882477      3.40986152      1.75046630
  O     -4.07249133      3.96693147      2.14969506
  H      2.79188279     -1.25722121     -2.39091327
  H      1.70778111      2.28176067     -1.22776866
  O      2.46705453      1.94606164     -0.73611834
  H     -4.08975919      0.97861771      3.34627697
  H      2.64341309      1.07093382     -1.10575443
          69
 Energy    -248.58389541820040     
  O     15.62403436     12.33540322    -11.75190440
  H     16.20805637     11.57340412    -11.63980796
  H     15.32038229      6.64420668    -13.83983984
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  H     15.19197482     12.45834662    -10.89922101
  H     11.91701123     11.36754674    -11.15623048
  O     13.21313516      4.46904773    -10.57836441
  H     16.28801409      4.98050724    -11.34473302
  H     11.37506579     10.86515469     -9.80251959
  O     18.55166104      6.95796751     -9.19369661
  H     15.92461687      5.84603172    -10.11402144
  H     19.27799518      8.41172668     -9.90377109
  O     16.51560168      7.78104184     -7.33939412
  H     13.89074736      4.17858026    -11.20226798
  H     20.46046411      9.16195372    -10.54287281
  O     17.02882366     10.00632427    -11.09053742
  H     13.67794688      4.90152792     -9.85238708
  H     14.06882051      6.82098907     -8.98520854
  O     14.27277604     12.37457928     -9.20428204
  H     17.95256912      7.20761962     -8.47988465
  H     15.30956410      6.48884519     -8.13789249
  O      9.83706767      7.84374714    -11.29658964
  H     18.01783918      6.43896004     -9.80961013
  H     12.73799211     11.35095368    -13.31956298
  O     15.35423667      9.82789260     -8.78846657
  H     16.17534026      8.57231788     -7.78984920
  H     12.74547345      9.97023573    -12.59276490
  O     13.53033249      8.41914278    -12.11314491
  H     16.65300315      8.02416582     -6.42713264
  H     11.67491653      6.14456340    -13.21153715
  O     10.92705884      5.25652406    -11.76782142
  H     16.50434216      9.89703746    -10.28685265
  H     11.47557577      7.44289639    -14.03888259
  O     14.81043867      5.90009622    -14.18631398
  H     17.95375414      9.84397852    -10.85326424
  H      9.74355307      9.36035199    -14.51748140
  O     11.89515210     11.56666999    -10.21098018
  H     14.14787195     13.19023873     -8.72686777
  H     10.93834530      9.66413384    -13.58279185
  O     19.54140708      9.25582687    -10.30871700
  H     13.39906097     12.11415656     -9.54893270
  H      9.86571618      9.24416871     -8.47608324
  O     14.69504016      6.10984584     -8.77701499
  H     10.17683319      6.94402514    -11.37981454
  H     10.23688614      8.77900197     -9.90480733
  O     12.17270127     10.69523597    -12.88495607
  H      9.89954218      8.23917470    -12.17420625
  H     15.09371202      4.54162695    -13.13851734
  O     12.10666796      6.73928753    -13.84053946
  H     14.56512182      9.30732318     -8.99982476
  H     15.54209124      3.07627634    -12.91557720
  O     10.33553464      8.96177353    -13.88534150
  H     15.07616506     10.75250081     -8.81376810
  H     14.59180822     12.47066370    -13.15895562
  O     10.55340792      9.28551354     -9.13466654
  H     13.04726194      7.79116889    -12.66467434
  H     14.39196508     12.92261521    -14.61635054
  O     15.26196522      3.86426879    -12.45851520
  H     14.47269954      8.27596585    -12.27659251
  H     13.23403885      8.31771848    -10.39148449
  O     13.95372064     12.48232093    -13.89411346
  H     11.73127449      4.98521755    -11.29022651
  H     12.26789657      8.59183701     -9.20187874
  O     13.14910742      8.27374144     -9.42609559
  H     10.36193955      4.48903826    -11.80473066
  H     16.55015756      8.64115115    -12.19478155
  O     16.16618306      7.83908056    -12.57515226
  H     13.88995758      6.18822099    -14.23354235
  H     16.38793149      7.11840187    -11.96833948
          69
 Energy    -248.58201691127505     
  O     16.03438877     10.35781475    -16.87839645
  H     15.11286476     10.48851086    -16.62487248
  H     19.54891340     10.60788813    -16.46221774
  O     17.11633633     13.41902173    -11.06428218
  H     16.07680720      9.75919201    -17.63552917
  H     16.64259487      9.23674899    -15.55288954
  O     19.62662363      8.74387222    -14.20253829
  H     16.29782034     12.98764463    -10.78708672
  H     17.80713599      8.63726279    -14.69321960
  O     14.50622828      6.82463564    -17.76269909
  H     17.81504269     13.00465241    -10.54257852
  H     12.71322952     11.13714132    -16.14147652
  O     16.79073594     10.13204779     -9.25612981
  H     19.98560119      9.17906611    -14.98396357
  H     13.21689526      9.71950647    -15.77210700
  O     15.18385298      8.29515781    -12.76993269
  H     19.53687566      9.40060441    -13.49570460
  H     16.61816030      8.12565173    -11.64934110
  O     17.16288176     12.10696350    -13.48275882
  H     15.13572774      7.35401011    -18.26632367
  H     17.97374805      8.86959556    -11.53329847
  O     18.94163776      6.36526648    -13.04194584
  H     15.03756828      6.38219621    -17.08694310
  H     13.38255172      7.64105712    -16.61008872
  O     13.84481562      6.09983762    -13.89237629
  H     16.04834337     10.59442817     -9.66431056
  H     13.05954965      7.41550080    -15.12263729
  O     18.75009063      5.34920043    -15.55940731
  H     16.93901645      9.32984530     -9.77340687
  H     18.21020618     11.14393296     -9.40896648
  O     16.04716998      6.00686135    -15.54068480
  H     14.63016246      7.53630589    -12.98654975
  H     19.52935558     11.78179565     -8.90806733
  O     20.19739259      9.90523446    -16.65485702
  H     15.80117101      8.40798198    -13.51329009
  H     19.10241237     10.84388863    -11.33172692
  O     16.86245325      8.58110099    -14.87971870
  H     16.28236463     11.71177672    -13.48286842
  H     18.29319071     10.97063826    -12.64714485
  O     13.45224959     10.66632572    -15.76558426
  H     17.18854315     12.72562267    -12.73731707
  H     14.64654852     11.53044910    -11.48309902
  O     17.46502494      8.12559691    -11.18078932
  H     19.34660339      7.15802285    -13.42862980
  H     13.95322810     12.01872099    -10.19413741
  O     12.94001014      8.03988043    -15.84491904
  H     18.42395806      6.69604496    -12.30138306
  H     18.82364495      6.86579201    -16.86673986
  O     18.96104290     11.70841787     -9.66945526
  H     13.48391734      5.25090130    -13.65090598
  H     19.31169651      8.29481480    -17.23530117
  O     18.90521762     10.39720199    -12.16318677
  H     14.61512190      5.92690809    -14.46087886
  H     14.72452547      9.99970371    -12.97186834
  O     14.80191662     11.77523375    -10.55665454
  H     19.33029278      4.59825612    -15.65243238
  H     14.13656596     10.95578191    -14.03848779
  O     18.75609822      7.56208533    -17.52905454
  H     18.81316120      5.63421086    -14.62993506
  H     18.01443703     11.97097087    -15.14776797
  O     14.58391039     10.93540361    -13.18448591
  H     16.88662543      5.53779216    -15.60459164
  H     17.49425467     11.36321126    -16.45571821
  O     18.29452040     11.70584260    -16.03309441
  H     16.29609007      6.92926988    -15.37394761
  H     16.79074440      8.53867851    -19.78651778
  O     16.56174914      8.45206143    -18.86495789
  H     20.95134545     10.32795784    -17.05623285
  H     17.34605626      8.08980153    -18.41458113
          69
 Energy    -248.58143338308372     
  O     15.02437812      9.81079411    -15.77052411
  H     15.43908464      9.50150574    -14.95474360
  H     12.26056705     11.88394665    -14.96630222
  O     15.40220275     13.54177268    -15.37685835
  H     14.36614095     10.46625643    -15.50990777
  H     16.60930559      9.69399843    -18.49829942
  O     18.83818734     10.60450102    -10.51565862
  H     14.52377545     13.15548826    -15.28725252
  H     16.09383322     10.12918714    -17.10668041
  O     20.16728851     12.46566492    -12.17498256
  H     15.99661574     12.90203278    -14.95361055
  H     16.41109453     13.78655852    -11.36961911
  O     13.83975760     11.82907750    -12.25132473
  H     19.36115209     11.30507020    -10.92502966
  H     15.37455976     14.41746078    -10.41516568
  O     16.28610427     11.09995892     -9.63472187
  H     18.89488618      9.85482282    -11.11876228
  H     20.54581953     14.53115553    -15.19483898
  O     16.34859766      9.27615447    -13.30323642
  H     20.95913867     13.01297790    -12.24766838
  H     19.56586545     15.45428508    -14.46882885
  O     16.50126569     13.19572194    -17.93562382
  H     20.24672450     11.77655352    -12.84777776
  H     19.93270617     10.50143864    -14.83014702
  O     20.49156720     13.28164600    -16.54554716
  H     14.39098763     12.48471684    -11.80750742
  H     21.35783471     10.81162477    -14.31744792
  O     22.31498310     14.13364656    -12.82575422
  H     14.03223087     10.98447221    -11.82694083
  H     15.29970109      9.97224507    -10.44474933
  O     18.79826708     11.11381371    -16.07460820
  H     17.21578035     10.93968516     -9.85994084
  H     14.27572390      8.80811567    -10.45550602
  O     13.20870093     11.86343411    -14.87075829
  H     16.08460401     11.99906946     -9.91706715
  H     17.81199554     14.32105713    -17.82294285
  O     16.73144442     10.34367444    -17.81157643
  H     15.79720732      9.23546716    -12.51048398
  H     18.47941977     15.63538183    -18.29743904
  O     15.60622586     13.60407239    -10.85695987
  H     17.22679267      8.94953732    -13.06971113
  H     22.63525681     12.76570048    -14.19264775
  O     20.49367424     15.20600195    -14.50156469
  H     16.01060660     13.34878025    -17.11599185
  H     21.99334619     12.52170186    -15.57144281
  O     20.53132891     10.36623158    -14.08081493
  H     16.57620181     12.23834825    -18.01926446
  H     19.61939391      9.18098481    -13.13080812
  O     14.74176447      9.41652720    -11.02135940
  H     19.95485777     13.89327480    -17.06595357
  H     19.45990725      7.78240630    -12.49631895
  O     18.51743447     14.96308317    -17.62263311
  H     19.93061958     12.50350195    -16.41439526
  H     16.78752294     10.99900269    -13.68845148
  O     22.51042427     12.09531095    -14.87489860
  H     22.92313336     14.76630460    -12.45454323
  H     17.36648638     12.42020273    -13.34339295
  O     19.01932981      8.62133771    -12.60873847
  H     21.69179524     14.63254767    -13.38593408
  H     16.73440417     14.84266157    -15.00820308
  O     17.11413120     11.82826561    -14.06035670
  H     18.22492790     10.76494074    -16.76577912
  H     17.97719797     15.23718193    -15.80214535
  O     17.60902715     15.24402017    -14.90865877
  H     18.20718313     11.43087432    -15.37317595
  H     17.83879244     14.46347351    -13.21434550
  O     17.83997681     13.94817669    -12.39669327
  H     13.39477588     11.85736854    -13.91372585
  H     18.71353854     13.54492753    -12.28869405
          69
 Energy    -248.58079235837914     
  O     17.47739929      9.91602346    -15.15979582
  H     17.70706967     10.82375927    -15.40224785
  H     13.71483169     11.29695922    -12.40264481
  O     15.08155888      9.40727601     -9.68116071
  H     17.17126339      9.95877451    -14.23916597
  H     18.79006889      5.05321412    -14.04701317
  O     18.08011312     12.57586750    -15.34095394
  H     15.78808267     10.06320720     -9.73225228
  H     18.54042687      5.46369253    -12.58387411
  O     12.76083212     10.37337760    -11.07500856
  H     14.29817568      9.80717276    -10.07898798
  H     15.62385610      8.04558932    -10.71982119
  O     15.30698562      8.28986812    -15.65769030
  H     18.84382390     12.70077709    -14.76732190
  H     15.39204789      7.18083901    -12.02728220
  O     19.44925221      8.24485961    -14.22541213
  H     17.34255007     12.99444615    -14.87272987
  H     18.36691999      5.90234990    -16.00608998
  O     20.58490688     10.29309913    -12.67403293
  H     11.93891800     10.56557100    -10.63124596
  H     19.80098881      5.49825492    -16.42583500
  O     18.73621060      7.19376227    -11.72309392
  H     12.57438623      9.66086773    -11.71315531
  H     18.85116519     13.30366313    -12.09849993
  O     12.37195932      8.53422208    -13.04025748
  H     16.09212463      8.85310169    -15.58610462
  H     18.31457202     14.33955715    -11.08617576
  O     16.13657283     13.60486957    -13.60607882
  H     14.54870737      8.88518520    -15.68708088
  H     16.14691394      6.70812461    -16.23675361
  O     13.19035874     10.14319059    -15.29104828
  H     19.52334600      7.45807848    -14.77838680
  H     16.26090191      5.27913137    -15.66497541
  O     14.29459756     11.49045357    -13.14978411
  H     18.79470951      8.82213350    -14.64596772
  H     16.90098722     10.43690253    -11.85952177
  O     18.33958740      4.78272654    -13.23662584
  H     20.31862223      9.57997953    -13.26966060
  H     16.32167959      9.08496915    -12.30943117
  O     16.05358491      7.51644516    -11.40885081
  H     20.36843795      9.99430140    -11.78357840
  H     20.32133169     11.93209587    -13.09270560
  O     19.29439392      5.86988865    -15.70900800
  H     18.93465465      7.56592971    -12.59533181
  H     20.95445147     13.26614193    -13.55347144
  O     18.13993816     13.47876867    -11.46064542
  H     17.77694054      7.24972102    -11.58335994
  H     18.22026172     10.50475405    -10.12765675
  O     16.64811847      5.88537138    -16.30841793
  H     12.46499642      9.01943016    -13.86901011
  H     17.70467704     11.92220119    -10.54110403
  O     16.53306378      9.97348763    -12.62268740
  H     12.97065653      7.77935127    -13.11757035
  H     14.78425171      5.81261608    -13.65272451
  O     20.12925240     12.86696466    -13.29082864
  H     16.68124815     13.58350746    -12.81145229
  H     14.77228162      7.24870922    -14.23603200
  O     17.42740176     11.04618700    -10.24221065
  H     15.40409581     12.99648561    -13.44582809
  H     20.15251357      8.96309496     -9.42902030
  O     14.44657106      6.70485869    -13.50374745
  H     12.75910489     10.72522637    -15.91177718
  H     19.33437191      8.46956204    -10.64290399
  O     19.63518256      9.26560270    -10.17130928
  H     13.58476685     10.70863328    -14.60559973
  H     15.58266175      3.38656336    -13.97914232
  O     15.78553649      4.31481471    -14.05652877
  H     15.09053397     10.95473504    -13.00851925
  H     16.67930217      4.43878045    -13.69004579
          69
 Energy    -248.58072136274882     
  O     18.25071260      8.85799460    -10.28603587
  H     17.57161357      9.48948317    -10.56311372
  H     19.06395830     12.22848473    -10.89677477
  O     18.96486263      3.19072508    -12.30848605
  H     17.80695342      8.01436944    -10.13306892
  H     18.79535734     10.71752849     -7.79803243
  O     21.16915715      6.84948460    -11.84040613
  H     18.82579802      2.24848474    -12.33904518
  H     18.94857114      9.51988907     -8.77244819
  O     15.54813310     10.29732966     -8.57190510
  H     18.19003767      3.60606365    -12.72958904
  H     20.23510523     10.07055802    -12.32672130
  O     18.57727704      6.01194556    -15.34123012
  H     21.76656356      7.07422547    -11.11681475
  H     19.30891301      9.02686294    -11.67084219
  O     22.58619251      7.53723133     -9.50064314
  H     20.77447721      7.67938120    -12.14402837
  H     20.19625763      4.27348308    -13.35126779
  O     16.28791602      7.79190083     -7.56429931
  H     15.75066052      9.43897091     -8.17121277
  H     20.93729905      5.62102751    -13.20192978
  O     20.66571616      6.22120491     -8.12944619
  H     16.16359348     10.93122550     -8.18685791
  H     17.39162573      5.05794849    -14.21139004
  O     18.94399908      7.70186896     -6.40603952
  H     19.35616132      5.67805178    -14.86103661
  H     16.32032857      5.11489280    -13.09645536
  O     16.94242229      6.43655268     -9.93636343
  H     18.73478169      5.84518844    -16.26678270
  H     15.83414144     10.47436254    -10.30321290
  O     17.67543764     12.16971849     -7.86875105
  H     21.93029108      7.07835664     -8.94433697
  H     15.82186922     10.03669463    -11.81854783
  O     18.22060010     12.47993196    -10.50346265
  H     23.44522884      7.23870973     -9.21367844
  H     16.22897894      8.74173063    -13.61325593
  O     19.30484563      9.91346410     -7.95982007
  H     16.40554385      7.21922541     -8.33435593
  H     14.79541780      9.24976355    -13.91087785
  O     19.85143383      9.19604912    -12.45887857
  H     17.10525734      7.70520848     -7.06150255
  H     20.94632665     10.18381284     -8.78195363
  O     20.60016483      4.99104828    -13.85414364
  H     20.04230221      6.62623702     -7.51517983
  H     22.06436387      9.36115676     -9.45226306
  O     16.95181467      4.53103860    -13.53160558
  H     20.14601082      5.74961150     -8.79331311
  H     14.26203672      6.09641402    -11.95167825
  O     16.26953889     10.58402931    -11.16632220
  H     19.13176611      7.86346833     -5.48461620
  H     15.18949368      7.19514681    -12.51608647
  O     15.33346739      8.84342988    -13.23640187
  H     19.11812607      8.53489939     -6.87828078
  H     18.07190054      7.65861678    -14.63646742
  O     21.69335556     10.24930467     -9.39225595
  H     17.74085323      5.91644104    -10.10639475
  H     18.54480787      8.77786247    -13.67627323
  O     15.17495052      6.29828773    -12.14630493
  H     16.34626160      6.32337181    -10.68519482
  H     21.44570237     12.30437948    -11.79164764
  O     17.79222605      8.47191065    -14.19968928
  H     17.88159424     12.36844949     -8.80084914
  H     21.17151996     11.19121183    -10.75165558
  O     20.79679511     11.66124295    -11.51926829
  H     17.57459208     13.00736348     -7.42564161
  H     19.93989002      5.80921685    -10.93246825
  O     19.36428731      5.21685244    -10.42772927
  H     17.54013090     11.92018417    -10.90365864
  H     19.25476733      4.42016792    -10.96121683
          69
 Ord_Energy   -248.580383    
 O   0.359961003       2.39358902     -0.570970118    
 H  -0.248325393       1.64687812     -0.511573553    
 H  -0.158496514       3.19329405     -0.399083287    
 O    2.27801466       6.91570950       1.04996502    
 H    1.83926308       6.85316610      0.193817466    
 H    2.04541683       6.10541725       1.52925456    
 O   0.995346367       6.31567621      -1.41173935    
 H   0.942226052       6.81349182      -2.22333717    
 H    1.51654637       5.51542902      -1.60734904    
 O    4.22469330       4.91309452       3.93345952    
 H    4.09858179       4.14748478       4.50754166    
 H    4.14985943       5.70302677       4.48597431    
 O    4.78675556       5.56199455       1.25290322    
 H    4.73565054       5.33800173       2.19249940    
 H    4.05747318       6.17249823       1.08619952    
 O  -0.504376173       5.47319126       6.43213272    
 H  -0.546809494       4.61118937       5.97588968    
 H   -1.00752234       5.37878323       7.23716736    
 O   -3.12896180       2.81414914      0.367401183    
 H   -2.70443773       1.98443258      0.117062412    
 H   -2.56291103       3.51739001       2.48167105E-02
 O    1.75029051       4.67725039       2.60727406    
 H    1.88886678       3.83725977       2.14976382    
 H    2.52836251       4.81221485       3.16106391    
 O  -0.616041183       3.11226439       5.19193697    
 H   -1.35504806       3.02428484       4.57542133    
 H   0.111965626       2.60712719       4.81022072    
 O  -0.870991647       5.40586805       2.54397917    
 H  -0.957867146       6.18005323       3.10900640    
 H    4.21308987E-02   5.09497404       2.65064073    
 O    4.48105717       3.23877311      -9.44121778E-02
 H    5.32888508       2.89607525     -0.363596737    
 H    4.64948034       4.08383322      0.359529436    
 O    2.30275464       5.10603809       6.78596258    
 H    1.35619402       5.27143192       6.70811558    
 H    2.74530077       5.89140463       6.43959236    
 O    3.39341140       2.86635280       5.70729113    
 H    2.95832992       3.61389160       6.15621567    
 H    3.88400912       2.39409137       6.37548637    
 O    2.29930139       2.25519466       1.39991641    
 H    1.59791434       2.20333719      0.734353781    
 H    3.11410093       2.47766471      0.932259500    
 O  -0.881935239      0.724133074       2.60151958    
 H   -1.41377819       1.51000988       2.79046559    
 H   -8.46679285E-02  0.812162578       3.13432217    
 O    2.31069613       3.98206425      -1.80018795    
 H    1.65578461       3.32095432      -1.53534281    
 H    3.11652470       3.75731659      -1.32053685    
 O  -0.712331355       7.44006777       4.48700953    
 H   -1.35854924       8.08417892       4.76700497    
 H  -0.638120651       6.78578806       5.20110130    
 O    3.66564131       7.20559216       5.44933319    
 H    3.05680418       7.58189344       4.78778839    
 H    4.22824478       7.91652536       5.74337864    
 O   -1.04677272       4.76752234     -0.155032024    
 H   -1.04405713       5.06536102      0.766075671    
 H  -0.473895133       5.37449026     -0.638633370    
 O   -2.36357665       3.09983754       3.01908422    
 H   -2.81896281       2.96305037       2.17641711    
 H   -1.87513876       3.92875504       2.90925407    
 O   -1.51874268      0.426020116      -4.69923019E-03
 H   -1.78463233     -0.464499295     -0.214595556    
 H   -1.27096426      0.432509273      0.938610554    
 O    1.93531191       8.10205650       3.59228683    
 H    2.04098129       7.84756660       2.66612887    
 H    1.01631224       7.93092108       3.82955599    
 O    1.49020684       1.58069611       3.99705100    
 H    1.82620597       1.73007202       3.10129261    
 H    2.16811562       1.91963851       4.59405851    
          69
 Energy    -248.58035493391446     
  O     13.33203741     11.99123396    -16.49385081
  H     13.78373945     11.55255887    -17.22656804
  H     18.60085241      7.97964313    -15.69286369
  O     16.95397415      5.17248892    -13.81433839
  H     14.00892114     12.15491835    -15.82857208
  H     16.13703129     10.86931513    -15.74014002
  O     19.32026269      9.17649647    -12.80211315
  H     17.27333393      5.71027766    -13.07234942
  H     15.95654958     10.34791753    -17.19783698
  O     14.03903849      4.93637153    -13.68969560
  H     16.00324440      5.06522930    -13.71607541
  H     15.40172900      8.21397012    -13.97210313
  O     15.50372445     10.14652357     -9.98005242
  H     20.25364948      9.32280234    -12.67467067
  H     14.91267245      7.87397592    -12.52824398
  O     14.14739795      6.58206032    -11.42862966
  H     19.18032239      9.08367731    -13.76197213
  H     11.79819353     11.10662456    -16.36541433
  O     13.37289427     10.62305803    -13.01600272
  H     13.62030123      5.54501770    -14.32065036
  H     10.28905568     11.06624967    -16.69791597
  O     12.60881157      8.57026259    -17.73929486
  H     13.64378440      4.07998860    -13.83495339
  H     18.41712705      7.62384387    -12.11730172
  O     16.09917432      7.37910898     -9.69760140
  H     15.77005148      9.23460685     -9.80731635
  H     17.41733006      7.07957367    -11.07040466
  O     15.56629529      7.75939271    -15.73345797
  H     16.06427912     10.45827773    -10.70189913
  H     11.55490173      8.26095272    -12.31170714
  O     13.01640870      6.84676045    -15.41044400
  H     13.28505048      7.02331942    -11.36881816
  H     12.06345473      8.86120099    -10.97814558
  O     18.80566243      8.88942045    -15.44271182
  H     14.08303637      5.90432700    -12.11189338
  H     18.22976850      5.59213465    -16.66313169
  O     16.50245986     10.26837158    -16.40473692
  H     14.00947181      9.88836012    -13.03645206
  H     17.63583437      5.78961266    -15.24530931
  O     15.19978603      8.58972970    -13.10650019
  H     13.13237718     10.75050339    -12.09014024
  H     17.85026021     10.27680853    -12.45249417
  O     11.01891224     10.52439856    -16.41013739
  H     11.95484874      9.17485612    -17.36388243
  H     16.37885416      9.87281296    -12.63131603
  O     17.93084488      6.83561226    -11.84833664
  H     12.68304437      7.84308169    -17.11217448
  H     14.61984426     10.38773869    -19.39375256
  O     11.84139399      8.03103931    -11.41917288
  H     15.37702038      7.01857176    -10.24116787
  H     13.93172542      9.62418438    -18.23772885
  O     17.89824001      6.25339629    -16.06284114
  H     16.13412341      6.85166429     -8.90322180
  H     12.49868002     11.06953797     -9.60766455
  O     16.95023551     10.61787860    -12.38567077
  H     16.30951199      7.16909418    -15.90759080
  H     13.79034245     10.38065796    -10.10950533
  O     14.58415055     10.31706317    -18.44359280
  H     15.84600774      8.64562386    -15.99962701
  H     14.57084192     11.56731188    -13.96420130
  O     12.83780328     10.49072578    -10.28466990
  H     12.51337736      7.52076991    -14.93146672
  H     16.07229923     11.70760016    -13.75306964
  O     15.37796228     11.87766969    -14.40320526
  H     13.90620895      7.20143882    -15.57240295
  H     12.17764993      9.55155740    -13.77286716
  O     11.56000916      8.90996004    -14.15667450
  H     18.12040000      9.44158844    -15.84019195
  H     11.16425768      9.37577798    -14.90247372
          69
 Energy    -248.58034800608644     
  O     19.30481060     10.12879459    -14.45713686
  H     18.62281683      9.80103854    -15.05376304
  H     15.64559312      9.48638652    -13.68310293
  O     21.91512314      7.41435848    -11.35727438
  H     19.91506661      9.38690866    -14.32817461
  H     18.90504021      7.48883477    -13.22410961
  O     15.52215656      8.29993008    -10.05404618
  H     21.24617889      7.94558609    -10.88887994
  H     17.55820218      8.07174627    -12.70031119
  O     12.65231235     10.21693193    -13.40848334
  H     22.75912452      7.63111625    -10.97080492
  H     14.59087693      7.58940390    -14.25599411
  O     17.28821552      8.90484904    -16.13203165
  H     15.13034011      7.50356787    -10.44566164
  H     15.01795329      6.09623290    -14.23674094
  O     11.64684920      7.52109165    -13.59700853
  H     16.29493729      8.01797567     -9.55045703
  H     18.12718185      6.62928416     -9.51263797
  O     18.43563245      5.49597741    -10.81066945
  H     12.16399580     11.03565347    -13.43246344
  H     18.08701159      7.06911355     -8.02958350
  O     14.24982984      6.17876583    -11.29806541
  H     12.81336013     10.01618155    -12.46881685
  H     19.78306416      5.55170713    -15.40922687
  O     20.81588418      4.83675368    -12.02899513
  H     16.47521489      9.06283005    -15.62577211
  H     21.10804001      4.77234570    -15.55162491
  O     16.12736888      4.05480313    -11.67685542
  H     17.11917651      9.22889498    -17.01477689
  H     12.45078477      8.67892916    -10.71158528
  O     20.68083254      7.84299445    -13.82225863
  H     11.83238898      8.46612017    -13.65760683
  H     13.86107524      9.21869189    -10.42262935
  O     15.10557789      9.35388710    -14.47943846
  H     12.46245616      7.08494773    -13.88280949
  H     19.62190483      9.65554114    -10.74439518
  O     18.02865691      7.25313401    -12.89728623
  H     18.22245552      6.13198227    -11.51095516
  H     19.25616872      8.51369441     -9.75403280
  O     14.28129173      6.69612755    -14.05735588
  H     19.26623232      5.09078232    -11.09538929
  H     19.16244913     11.92338389    -11.83790191
  O     17.93909435      7.37882399     -8.91985612
  H     14.28724549      6.36818508    -12.24711404
  H     19.10892344     10.75450961    -12.85353616
  O     20.60507729      5.31065724    -14.94605006
  H     13.32688954      6.29500173    -11.04159894
  H     17.11344183      5.94845083    -13.76354570
  O     13.01045935      9.46056143    -10.80782316
  H     20.71680109      4.87792717    -12.98712404
  H     16.43168091      4.61281626    -13.40461757
  O     19.98822502      8.93308476    -10.22060030
  H     21.28472287      5.64240865    -11.77506261
  H     17.62339752      5.66302396    -15.59296289
  O     18.94880926     10.99817103    -11.92276163
  H     15.42315065      4.66224276    -11.41521238
  H     17.99971832      7.05374803    -16.14148467
  O     16.59949871      5.21692143    -14.14126012
  H     16.92932300      4.39141067    -11.25636903
  H     10.74238928      6.61331351    -10.63409463
  O     18.28890064      6.13500351    -16.11547186
  H     21.19652999      7.76010762    -13.00987926
  H     11.48373522      7.12496054    -11.89370635
  O     11.56614686      6.98824867    -10.93229101
  H     20.77030081      7.00680047    -14.29842819
  H     17.32330605     10.16061092    -12.01302822
  O     16.59911160      9.56069652    -12.22840291
  H     14.24148996      9.73254906    -14.27621925
  H     16.22273179      9.20824419    -11.40963801
          69
 Energy    -248.58033158870205     
  O     15.85546195      8.69390146    -15.95328077
  H     16.52884338      8.46844294    -15.29496291
  H     16.45322618      9.51913355    -17.36515715
  O     14.55473138     11.02829087    -14.58829705
  H     15.22333942      9.25816787    -15.49753644
  H     18.42054542     16.04060442    -13.31511420
  O     20.90897161     10.20081285    -11.09509208
  H     14.24382938     10.53408535    -13.81709472
  H     18.91648636     17.42791099    -12.85640760
  O     20.76608425     12.55245267    -12.44389838
  H     15.50755262     11.15893918    -14.45396226
  H     20.00885573     11.76834762    -15.68343874
  O     14.09344918      9.51559750    -12.33210542
  H     20.94710010     11.08867960    -11.49321957
  H     21.29829651     12.56596543    -15.36951924
  O     18.11467591     10.35693790    -10.55233926
  H     21.69375502     10.10544131    -10.56171826
  H     17.05389324      9.09365972    -11.01040919
  O     17.73134323      8.46731297    -13.90886757
  H     20.73721843     12.25136869    -13.36353826
  H     16.56200122      7.65105250    -10.73274145
  O     14.61335175     11.86888707    -17.27713411
  H     21.12292656     13.45166234    -12.45301569
  H     14.77961366     13.57740281    -17.16878454
  O     17.66223911     14.46466884    -16.37661139
  H     14.90007536      9.10476560    -11.98876531
  H     14.35074472     15.01313315    -17.56172472
  O     21.60707319     15.09583143    -12.90521620
  H     13.47827601      9.53472296    -11.60226277
  H     19.14335745     15.51501009    -16.26348845
  O     18.36936667     11.79433625    -16.51175542
  H     17.95302933     11.24428373    -10.89938039
  H     19.73657249     16.37228430    -15.13104942
  O     16.74264675     10.11571702    -18.07943029
  H     19.06631684     10.21587792    -10.63008425
  H     17.42037617     14.66707777    -14.55751140
  O     19.19748295     16.62250016    -13.28393937
  H     18.68875031      8.61285489    -13.85328137
  H     16.19369556     14.59815419    -13.63982026
  O     20.79250941     11.78219693    -15.11675220
  H     17.38833232      8.29502188    -13.02408842
  H     21.29213862     14.89091648    -15.85944830
  O     16.49656842      8.37128721    -11.35435428
  H     14.45752316     11.53292252    -16.38360288
  H     22.75379006     14.52561787    -16.21027578
  O     14.91899260     14.52257770    -16.97444550
  H     15.29470818     11.30674515    -17.66338592
  H     20.60811396      9.46117649    -12.84825139
  O     19.94579519     15.98102839    -15.98735162
  H     17.92392852     13.54496851    -16.52395486
  H     20.60586627     10.00724074    -14.29284134
  O     17.13713818     14.81464908    -13.64380256
  H     16.74578494     14.55704226    -16.66552721
  H     17.46194503     10.26697240    -13.97886303
  O     22.02041654     14.27720762    -15.65357248
  H     21.87233870     14.90211610    -13.81342628
  H     17.52148782     11.69623048    -13.33299112
  O     20.34481612      9.25180950    -13.75250252
  H     20.83230487     15.66870149    -12.96771867
  H     14.42032300     12.99979491    -14.19433652
  O     17.24077353     11.19893907    -14.11027975
  H     17.93255051     11.23206455    -17.16192295
  H     14.57741832     14.23486451    -15.09302480
  O     14.57679643     13.94995354    -14.16977138
  H     17.94559555     11.60464458    -15.65852452
  H     17.70850495     13.54795530    -12.44375388
  O     18.04471392     12.77406466    -11.97331234
  H     16.81922139      9.58478751    -18.86738572
  H     19.00649961     12.77229013    -12.08636466
          69
 Ord_Energy   -248.580292    
 O   -2.39831305      -3.16336799     -0.934201777    
 H   -3.31761885      -3.44811535     -0.869789541    
 H   -2.42387557      -2.27416015      -1.31073177    
 O   -5.23169422      -3.60546494     -0.656236231    
 H   -5.82356644      -3.94783163      -1.32051718    
 H   -5.30812073      -2.63404727     -0.684937239    
 O  -0.857383370      -1.35419440       7.87646246    
 H   -1.74236059      -1.74179959       7.83039951    
 H  -0.370330662      -1.82753134       7.19373178    
 O  -0.903906584       1.36721718       7.43552399    
 H  -0.442317367       1.81749439       8.13727379    
 H  -0.861198008      0.420599133       7.65184402    
 O   -5.02910519      -3.98844790       2.11426258    
 H   -4.40257597      -3.27430367       2.30905914    
 H   -5.17060328      -3.97241426       1.16108382    
 O  -0.964926541      -4.91931820       3.40073848    
 H  -0.338759303      -5.60474348       3.18043399    
 H  -0.969726801      -4.29592133       2.65426445    
 O   -5.20119286     -0.901885152     -0.722894847    
 H   -5.17858171     -0.425052285      0.117442243    
 H   -4.37719584     -0.675734222      -1.17369604    
 O   -2.75752544       2.11730862       2.46482921    
 H   -2.77165127       3.07099199       2.43909478    
 H   -2.42959428       1.86862028       3.34604454    
 O   -3.27362585      -1.90800250       2.60763812    
 H   -2.45349789      -2.17677212       2.17749000    
 H   -3.66279292      -1.16948318       2.12083435    
 O   0.684784174     -0.837807238       1.49842429    
 H    1.62595284     -0.721730709       1.40740693    
 H   0.476325780     -0.746052742       2.44840479    
 O   -3.84831738     -0.723120570       5.01500702    
 H   -3.55668426      -1.22418284       4.23665237    
 H   -4.76701498     -0.482870579       4.84816933    
 O   -1.95196378       1.25949681       4.91659260    
 H   -2.64376783      0.591101885       5.03510141    
 H   -1.57571399       1.43315387       5.79126501    
 O   -1.01719248      -3.05971169       1.40066576    
 H  -0.359490067      -2.35649514       1.34022176    
 H   -1.44617319      -3.15931463      0.536377549    
 O   -2.61337900     -0.449372798      -1.77445543    
 H   -2.29412675      -5.75893000E-03  -2.55533051    
 H   -2.18630743      -1.83351897E-02  -1.01212382    
 O   -3.17338109      -2.62343478       6.89159441    
 H   -3.46117854      -1.89894950       6.31634283    
 H   -3.81720042      -3.33061790       6.76961899    
 O   -3.48199084E-02 -0.653803170       4.04682302    
 H  -0.261774659      -1.45510650       4.53810024    
 H  -0.620277226       4.27194014E-02   4.36400414    
 O   -4.81623030      0.293248951       1.77489173    
 H   -5.42758131      0.161963865       2.51164317    
 H   -4.20373154      0.998597145       2.01874304    
 O  -0.744301796      -2.95740938       5.44148540    
 H   -1.59572864      -2.94867444       5.89988041    
 H  -0.776327372      -3.69004488       4.81567383    
 O   -5.05851316      -4.58262444       6.15521193    
 H   -5.43789864      -5.30838394       6.64370155    
 H   -4.54334068      -4.97570610       5.42678356    
 O   -6.44234800     -0.309692115       4.02797890    
 H   -7.25581026       7.65331164E-02   4.34003019    
 H   -6.54522705      -1.27725506       4.09723425    
 O   -3.69066024      -5.52295351       4.02276230    
 H   -4.17603827      -5.14260292       3.27700686    
 H   -2.75641108      -5.37469578       3.83743358    
 O   -1.43254530      0.654331923      0.383768052    
 H   -1.82278383       1.17561269       1.09373987    
 H  -0.666665316      0.199498817      0.756418943    
 O   -6.53504181      -2.99412489       4.24816322    
 H   -6.13226175      -3.47058415       4.98326874    
 H   -6.16754961      -3.39384961       3.44741559    
          69
 Energy    -248.57991813110164     
  O     -2.88001266     -2.37606629      0.41658174
  H     -3.18763323     -2.13760907     -0.46620574
  H     -3.55871611      4.24659021     -1.20886874
  O     -0.59528380      4.18317936     -2.31784482
  H     -1.97182170     -2.67887876      0.29555097
  H     -0.30363425     -1.85038006     -1.57440630
  O     -3.06496533      1.14289168     -1.73942172
  H     -0.33810948      4.66066842     -3.10225698
  H     -0.36569592     -0.46636045     -2.27390279
  O      0.62557769     -0.11748167      4.56838188
  H     -1.56952828      4.14910128     -2.31552840
  H     -1.42995042      2.93955802      3.35742794
  O      1.37167168      5.44128310      2.22623741
  H     -3.30903127      0.24355866     -1.98712745
  H     -2.00225548      2.23473339      4.60547027
  O     -0.94666397      2.58282170      1.68953004
  H     -2.09713839      1.18654893     -1.76048964
  H     -2.58337361      4.93894027      0.58662108
  O     -2.20703255      0.39013243      4.90378986
  H     -0.27353325      0.10554213      4.83748596
  H     -3.73238573      4.81805285      1.60771892
  O     -3.32610951     -1.58772937     -2.31138195
  H      1.16820450      0.66618639      4.72189546
  H     -3.41630266      1.53806419     -0.04178695
  O     -2.77207336     -0.41444368      2.32822923
  H      0.66595545      5.39499356      1.56143973
  H     -3.65193198      2.78506053      0.85860241
  O      0.00784972     -0.90510817      2.05318201
  H      1.82011180      6.27249967      2.08878902
  H     -4.12508875      5.39664770      4.13058934
  O      2.22891667      2.19980115      4.90420829
  H     -1.78297562      2.23728739      1.34764063
  H     -3.15160465      4.25893871      3.78252145
  O     -3.28399003      3.93535061     -2.08082682
  H     -0.22664901      2.04668073      1.33730711
  H      0.27531622      1.29830447     -1.01932687
  O     -0.62503660     -1.39245832     -2.36173025
  H     -2.74851652     -0.07151936      5.53943956
  H     -0.25618386      2.31685734     -2.06276174
  O     -1.80676888      3.10410046      4.23670959
  H     -2.46016922      0.05162729      4.02800469
  H      0.82310290      4.83509518      3.96396870
  O     -3.50063963      4.65213711      0.68178053
  H     -2.35683792     -1.57638583     -2.42000907
  H     -0.26992780      4.03454515      4.71387163
  O     -3.47450807      1.83575746      0.87822281
  H     -3.68134327     -2.08875901     -3.04032934
  H      0.87214756      0.35092975      1.06094119
  O     -3.81880968      4.85464302      3.40795244
  H     -2.92794013     -1.16449762      1.73473342
  H      1.75514700      1.65360732      1.03798388
  O     -0.27976278      1.38701133     -1.80893214
  H     -3.13094613      0.36836188      1.88789447
  H      0.52401944     -3.52836934      0.24368409
  O      0.62708515      4.38618444      4.79571243
  H      0.35609986     -0.72403204      2.93908548
  H      0.07596179     -2.16322245      0.81119049
  O      1.11968737      1.12263789      0.53344637
  H     -0.93563151     -0.69826341      2.08645932
  H      2.55630135      2.51941430      3.05016870
  O     -0.04169709     -2.78036212      0.06936839
  H      2.89725787      2.29761266      5.57760750
  H      2.25185020      3.69877764      2.11069789
  O      2.57473073      2.79024448      2.12372964
  H      1.66680015      2.99343188      4.94879737
  H     -0.74351410      4.11603749      0.85422371
  O     -0.64822136      4.97202794      0.40434640
  H     -3.38900679      2.97397195     -2.07371204
  H     -0.52016552      4.77889140     -0.53262352
          69
 Energy    -248.57983969415193     
  O     13.01576461      9.85298598    -10.06817708
  H     12.37167347     10.32801271     -9.55099618
  H     17.69703005      5.00299147    -14.99180225
  O     16.07472122      5.10387585    -12.11367207
  H     13.59873423     10.52043859    -10.47521904
  H     16.88463192     10.33958644    -15.14353071
  O     18.22762909     10.09803199    -13.87911765
  H     15.19596470      4.99416641    -11.72854056
  H     16.05348516      9.21525850    -15.75951702
  O     11.26055320      7.79221162    -15.67547265
  H     16.09445337      4.60983057    -12.94304678
  H     14.80428863      8.04764402    -12.64528345
  O     17.10396788      8.05385606     -9.23240502
  H     17.88966607     10.25222368    -12.98758703
  H     15.86695134      6.90676275    -12.50457670
  O     12.49034068      6.26477578    -13.53479133
  H     18.67938602      9.24805145    -13.82029426
  H     13.89423026      8.23252345     -9.68925772
  O     13.91936042     10.94656448    -14.11427790
  H     11.46825541      7.20542524    -14.93987375
  H     15.28092633      7.58746650     -9.48189709
  O     13.95364055      9.62255987    -17.49778647
  H     11.77215852      7.46562808    -16.42694322
  H     18.72809396      6.83013642    -11.81155555
  O     16.07797988      3.86327351    -14.64171535
  H     17.58439058      7.46226529     -9.84026742
  H     17.62990961      5.83401302    -11.36925548
  O     16.02164791      7.46483186    -15.49748689
  H     17.58083178      8.04352439     -8.40702793
  H     13.05440149      4.62927282    -10.42353872
  O     14.06286512      5.43573070    -15.67328475
  H     12.69492112      5.76004695    -12.73978434
  H     13.75525326      6.00291729    -10.52098467
  O     18.20887121      5.79792297    -15.16947217
  H     12.64277313      7.18959435    -13.27980728
  H     19.08625804      6.84191541    -14.06016196
  O     16.09704999     10.18122102    -15.68299601
  H     13.15845148     10.94286475    -14.70843040
  H     20.41644178      7.45629788    -13.57674851
  O     15.72596889      7.81100624    -12.81173292
  H     14.70097728     10.73629330    -14.64567911
  H     17.06392430      9.45956407    -10.54884510
  O     14.35340031      7.38438504     -9.65513625
  H     13.20896800     10.03865969    -17.04559067
  H     16.54418778      9.18214311    -11.96094471
  O     18.30511616      6.44003404    -11.03629261
  H     14.74606640      9.93715637    -17.04560408
  H     13.48933303      7.93874521    -17.68979263
  O     13.47755299      5.22371508    -11.03777625
  H     16.00981806      2.96010255    -14.94121388
  H     12.93023219      6.87901587    -18.66502645
  O     19.47237869      7.48143501    -13.43712170
  H     15.35942073      4.35489464    -15.07404696
  H     15.49412981     11.07748403    -11.37954991
  O     16.89370201      9.88852941    -11.39441016
  H     15.33060454      6.81421299    -15.65995336
  H     14.38967157     11.52860039    -12.35866061
  O     13.10041199      7.04721180    -17.74191364
  H     15.98879670      7.65353755    -14.54486267
  H     10.96403336     10.94553919    -16.07585919
  O     14.63689666     11.52547942    -11.42501850
  H     13.49906099      5.69295499    -14.92808147
  H     11.52042690      9.54684752    -15.72090066
  O     11.76655135     10.47813665    -15.85972863
  H     13.70551569      5.85742664    -16.46552958
  H     13.36638788      9.51079953    -13.18422643
  O     13.09586891      8.75100380    -12.64937421
  H     17.54781305      6.44971281    -15.44700184
  H     12.93173344      9.07695594    -11.75654906
          69
 Energy    -248.57976586477574     
  O     15.97791999      5.14773069    -12.61037425
  H     16.08208256      4.89512482    -13.53591728
  H     15.91060623      9.17860646    -15.89755115
  O     15.65089233     11.95691374    -13.02243061
  H     15.07622081      4.94446347    -12.33184128
  H     16.35912528      8.21147948    -11.91971981
  O     18.22959456     11.41330839    -13.54869069
  H     15.44283207     11.64927969    -12.12844101
  H     16.02512392      6.97772393    -12.78564103
  O     10.76036374      7.77914141    -15.62067411
  H     14.90043678     11.71497104    -13.57615901
  H     14.80156919      7.61383529     -9.96147266
  O     12.48647469      6.66231798    -13.65939204
  H     18.71184172     12.21880984    -13.71194955
  H     13.56653313      7.92580780    -10.81538154
  O     13.51233778     10.75847203    -14.54915369
  H     17.30550179     11.66944069    -13.36923132
  H     18.51003781      6.29293158    -11.09239301
  O     12.89451554      9.48785396    -18.03312621
  H     11.11122511      7.37063489    -16.42157701
  H     17.18227846      5.53058885    -11.20512887
  O     16.34097530      4.91899923    -15.38205260
  H     11.19828862      7.33307100    -14.88501078
  H     13.56860662      5.74978750    -10.97717977
  O     17.39296258      9.11168907    -14.87576057
  H     12.64791749      5.98110288    -12.99616024
  H     12.95784031      4.32751824    -11.00762546
  O     14.10670398      6.42110180    -15.91038265
  H     12.73770661      7.50261960    -13.24973802
  H     18.58127834     10.23682545    -12.08632220
  O     18.63416158      6.62293622    -14.78970313
  H     12.65560334     10.82281755    -14.98828821
  H     19.10043678      8.81441313    -11.74863311
  O     15.00354740      9.09717757    -16.22232448
  H     14.07246954     10.22141798    -15.12941434
  H     20.65416726      6.87954551    -12.35887768
  O     16.01845606      7.94371336    -12.78297166
  H     13.73247425      9.48207706    -17.54908087
  H     19.36277979      6.88354597    -13.20501877
  O     13.92829782      7.27904888    -10.19690874
  H     12.27159764      9.96427769    -17.47055761
  H     17.36135990      8.97521401    -10.34013083
  O     17.75699019      5.98155861    -10.57310663
  H     16.41598862      4.20668172    -16.01244661
  H     16.98613064      7.51543760    -10.02509708
  O     13.36763459      4.99147355    -11.55576309
  H     15.56565770      5.44393360    -15.64239859
  H     12.44894476      7.80188491    -18.08057226
  O     18.65578407      9.58757852    -11.37771699
  H     17.78427049      9.93130884    -14.54989898
  H     11.93284421      6.51208470    -18.76579871
  O     19.72626868      7.09950510    -12.32928110
  H     16.91422821      8.72275889    -14.12553104
  H     14.25579481     10.20586586    -11.12280149
  O     16.62705399      8.41725648    -10.03260344
  H     13.50158828      6.44959354    -16.66331449
  H     15.49260682     10.03610819    -10.23472652
  O     12.22110106      6.86620952    -17.92932041
  H     13.56337915      6.46868693    -15.11066584
  H     10.27753747     10.91793692    -16.02650757
  O     14.92123433     10.70278845    -10.63305375
  H     18.29724393      7.50939200    -14.98537399
  H     10.91807806      9.52650837    -15.80584366
  O     11.11438403     10.46257530    -15.98845666
  H     17.92984870      6.01251806    -15.03034662
  H     14.39135141      8.61800754    -12.60735609
  O     13.49365823      8.96675118    -12.47286949
  H     14.74560008      8.17564651    -16.09137841
  H     13.37067982      9.65687765    -13.13959982
          69
 Energy    -248.57973300148686     
  O     15.45156761     11.97346742    -11.85672000
  H     14.60233742     11.95230687    -12.31455125
  H     18.49715449      9.61814657    -10.21241944
  O     15.59408025      6.82488716    -15.05011785
  H     15.33769829     11.51189646    -11.01707262
  H     15.92550942      7.89629952    -13.58056003
  O     13.76192746      5.77831538    -11.00219406
  H     16.51730345      7.02329578    -15.27549287
  H     16.58878578      9.12621336    -12.87931282
  O     17.21469438     10.54151835    -15.87885195
  H     15.55091340      6.00508788    -14.54293884
  H     12.34622959     12.41033972    -13.49735983
  O     10.32970589      7.14756842    -13.22798321
  H     13.79484983      6.73921016    -10.89658429
  H     12.67399455     10.92374032    -13.23232979
  O     13.25539028      8.16753319    -15.36350190
  H     12.84166027      5.52635979    -11.14958069
  H     11.97890597      4.38059579    -13.36456675
  O     14.00500576      8.52753646    -10.98675514
  H     16.24166508     10.57983281    -15.84765562
  H     13.36399151      4.27838972    -14.03352705
  O     19.52529529      7.72145407    -12.99791550
  H     17.48270853     11.03782127    -16.64751843
  H     14.09115741     11.16321270    -14.94092575
  O     11.27642758      6.20879392    -15.76720888
  H     10.49140846      6.89171365    -14.14480266
  H     14.04459701      9.81595870    -15.68421017
  O     17.65294576      6.75438416    -11.09125802
  H     10.85143837      7.94756816    -13.07985724
  H     15.26990604      4.85854789    -10.52434999
  O     18.08014792      7.79719556    -15.40231497
  H     12.56767638      7.54982744    -15.63706516
  H     16.13988727      3.82780406     -9.77523302
  O     17.78675670      9.19964967     -9.71099185
  H     14.08518626      7.66705946    -15.31698081
  H     14.54595174      5.22962570    -12.60316277
  O     16.04441809      8.34227802    -12.73371900
  H     14.71991662      8.47484882    -11.64436602
  H     15.72401630      4.28208761    -12.73252699
  O     13.06897436     11.79416301    -13.40661889
  H     14.31614746      9.14945036    -10.31919394
  H     10.81175747      5.82088052    -12.21843219
  O     12.41735162      4.28184879    -14.21912112
  H     19.02423135      7.22164165    -12.34057086
  H     10.43512113      4.64142112    -11.28960351
  O     14.52117573     10.65578113    -15.63793812
  H     19.75633908      8.54531861    -12.55402839
  H     18.92093792     10.48256719    -12.16055275
  O     16.14420003      4.43485088    -10.51106195
  H     10.86307414      5.83398803    -16.54016736
  H     20.28843216     10.96097061    -11.61749546
  O     15.06507248      4.73933329    -13.25949937
  H     11.70579511      5.47435450    -15.29289020
  H     12.78736436      8.96851089    -12.24165785
  O     11.16849423      5.04951400    -11.74168817
  H     17.22037347      5.92474236    -10.86173138
  H     12.63791421      8.82860384    -13.79508057
  O     19.66647491     10.23939956    -11.58187636
  H     17.05540089      7.23965694    -11.68041554
  H     15.32093975     10.77771425     -8.55976919
  O     12.23524731      9.21002376    -12.99914978
  H     18.64413876      7.77799439    -14.61504859
  H     16.25023029      9.98649265     -9.50801292
  O     15.37366068     10.40725878     -9.43654266
  H     17.90935693      8.72283835    -15.60875947
  H     17.44754551     10.78799186    -14.08590531
  O     17.50188465     10.73665239    -13.12402379
  H     17.76679972      8.28398175    -10.01982738
  H     16.79397592     11.27189693    -12.73216764
          69
 Energy    -248.57968961328140     
  O      1.14213848     -2.54451635      4.60452945
  H      1.71001718     -2.95889702      5.24989876
  H     -2.82689284     -0.50835406      5.70452916
  O     -1.63022333     -3.39204606      4.89130346
  H      0.88823136     -1.68110217      4.97785362
  H      0.93023492      1.22408321      2.59201763
  O     -0.05682469      0.92071340     -0.73102057
  H     -1.99747373     -3.84950465      4.12453240
  H     -0.07955123      2.31546918      3.09887799
  O      1.60912560     -2.22734607     -1.14828815
  H     -0.70304572     -3.20962699      4.70042408
  H     -2.56859496      2.28080723      0.43788802
  O     -2.94311874      2.60320239      4.61557332
  H      0.44320159      0.76747663      0.08341269
  H     -1.16823782      2.32907702     -0.17734567
  O     -4.65882075     -2.73046506      1.52266750
  H     -0.52019178      0.09422876     -0.92228602
  H     -1.18189685      0.34440781      2.95079547
  O      0.40036407     -0.11289403      5.55735665
  H      2.09655376     -1.42031376     -1.35202642
  H     -2.36471973     -0.50088329      3.52971845
  O      2.58268765      0.47928811     -1.51437884
  H      1.74903584     -2.38673780     -0.20734058
  H     -1.23080360     -2.00320921     -0.24527036
  O     -5.17784224      1.91889352      2.95962565
  H     -2.35645226      3.06202859      4.00335524
  H     -0.22323725     -1.92542209     -1.39227695
  O     -5.42760030     -0.93075430      3.47250406
  H     -3.74049361      2.38608398      4.11693810
  H      0.55590581     -2.39278577      1.61227401
  O     -1.12414520      3.79659004      2.72705814
  H     -4.43910484     -2.24563246      0.72229183
  H      1.55800637     -2.37493138      2.76431837
  O     -3.15080809     -1.13245125      5.04503550
  H     -5.00545033     -2.08940738      2.16257537
  H     -2.29765022      1.31224576      7.42852084
  O      0.27620720      1.43566364      3.27225089
  H      0.47278598      0.49667399      4.80890792
  H     -2.36227989      1.57750621      5.90628919
  O     -1.81798333      2.87162428      0.28722706
  H     -0.37985385      0.17977191      6.04111784
  H      1.80369847     -0.49663398      1.48846251
  O     -1.92343704     -0.22593443      2.71404529
  H      1.64952591      0.74609081     -1.47400469
  H      2.43182636      0.51011931      0.48528075
  O     -1.12030238     -1.65983728     -1.14752449
  H      2.98879417      1.00830981     -2.19627181
  H     -3.57134643     -3.87655244      2.19954057
  O      1.48981614     -2.22609993      1.81275567
  H     -4.72317682      1.60160129      2.16063906
  H     -3.11920247     -5.34892858      2.35746586
  O     -2.06312095      0.94219806      6.58183948
  H     -5.89096351      2.48010029      2.66477002
  H     -1.48359229     -1.73324294      1.90986977
  O      1.88199539      0.44637254      1.27285185
  H     -4.72303501     -1.06358118      4.12390222
  H     -1.71082077     -3.26883653      1.74179768
  O     -2.85034542     -4.44965573      2.52188788
  H     -5.49997885      0.02323325      3.36940430
  H     -4.34217031     -1.42101958     -1.70879633
  O     -1.20268908     -2.51779688      1.41462286
  H     -1.38313065      3.53286283      1.82574100
  H     -2.91561604     -1.40603667     -1.12192309
  O     -3.84929845     -1.24337343     -0.91093621
  H     -0.90611130      4.72393137      2.69226791
  H     -3.84436808      0.22993361      0.23290545
  O     -3.67822578      0.88879799      0.91618526
  H     -2.63290638     -1.94906031      5.11418719
  H     -3.06497902      0.48335659      1.55106605
          69
 Energy    -248.57954184046852     
  O     16.82741110     10.31120432    -14.43272520
  H     17.58323259      9.72426776    -14.58261429
  H     13.45645056     11.11744742    -10.27938220
  O     14.59831675      6.68609871     -9.11209194
  H     16.07306721      9.90954221    -14.89036376
  H     18.05878506      5.43477193    -15.82889678
  O     12.47212821      8.17016116    -10.33328082
  H     14.97510796      7.53529266     -8.81661876
  H     18.30934009      3.95133838    -15.46200887
  O     14.72928944      8.90889726    -15.49993602
  H     14.60401766      6.10467687     -8.35696915
  H     15.27829137      6.51130230    -10.83373441
  O     18.89857141      8.52753268    -14.57058598
  H     12.65801063      9.04638213     -9.97500789
  H     15.53682353      7.65496833    -11.84174179
  O     20.72845658      9.84790993    -12.89179297
  H     13.10436585      7.57411969     -9.91464780
  H     18.61210096      7.55358944    -16.14843437
  O     18.02372363      6.42501121    -12.97482476
  H     14.49262600      8.15895242    -14.93487247
  H     17.50300013      7.18340248    -17.16785053
  O     11.61333236      7.81653453    -12.87239466
  H     15.00048892      8.53121745    -16.34595004
  H     15.42413362      6.60794612    -17.19641936
  O     16.01134385     12.75277721    -13.12805631
  H     18.58072691      7.81425320    -13.99559684
  H     15.34862714      7.29541684    -18.58310975
  O     12.64057829     10.21793541    -14.03068840
  H     19.65258906      8.93226651    -14.12525336
  H     14.91788667     10.03018320    -11.96646210
  O     13.81423686     11.52119338    -11.94249743
  H     20.06663408     10.51888178    -12.65379211
  H     16.06804051      9.62622789    -12.91079620
  O     13.30438200     10.74074510     -9.39543416
  H     21.57586360     10.28520987    -12.89604372
  H     17.97391280     11.13466607    -12.99711921
  O     17.80693228      4.72268965    -15.21269919
  H     17.97134857      5.73436842    -13.64717600
  H     18.25410911     11.01204304    -11.47892516
  O     15.56042522      6.68917765    -11.73819533
  H     17.17322096      6.43684447    -12.51355610
  H     18.27677804      9.12426622    -10.36736289
  O     18.33316367      6.87864029    -16.78177848
  H     11.89652895      7.93560782    -11.94783513
  H     16.87964700      9.63201674    -10.81809440
  O     15.65724040      7.41689196    -17.68915966
  H     10.70180096      7.53793576    -12.84767196
  H     13.06642518      6.97462944    -13.65414617
  O     15.61999542      9.38064335    -12.09176941
  H     16.83582109     12.80382875    -12.63546059
  H     14.48424494      6.56091608    -13.18811709
  O     18.55345509     11.44727455    -12.29171029
  H     16.17682009     12.09091264    -13.81194909
  H     20.05991349      8.49339812    -11.61822840
  O     17.61264048      9.81315695    -10.21057634
  H     13.28245740      9.89077797    -14.67246517
  H     19.07603442      7.30756306    -11.64234020
  O     13.92987115      6.68189914    -13.97152318
  H     12.19410529      9.43581568    -13.68191041
  H     14.81938120      9.78324598     -8.70866519
  O     19.48241322      7.96112453    -11.05877543
  H     13.30768919     11.16574601    -12.68958514
  H     16.32133650      9.44400653     -8.88935163
  O     15.50588679      9.15110280     -8.46196204
  H     14.50801403     12.09254051    -12.29904948
  H     14.62511551      5.65624521    -15.34155634
  O     15.12638053      5.29677681    -16.08697009
  H     12.81401377     11.39244562     -8.90069221
  H     15.95981698      4.97226646    -15.72537499
          69
 Energy    -248.57945247710848     
  O     14.06239280     12.57004532    -13.12908360
  H     13.59908487     12.51056499    -12.28342173
  H     18.33790070     13.94535478    -15.80882814
  O     20.25683075      6.80275347    -12.32881831
  H     13.65421846     11.91512652    -13.71214189
  H     12.64910833     10.01732523    -13.63769428
  O     18.48050110     10.81923342    -11.83642760
  H     21.08220610      6.42458995    -12.03793425
  H     13.78336808      9.66472435    -14.61584657
  O     12.33700466      9.54365788    -11.91578223
  H     20.46616071      7.39971325    -13.06984651
  H     15.67138191      9.82008072    -13.19586330
  O     16.09632795      6.92557590    -12.51929714
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  H     18.91977965      7.65041160    -11.36390381
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  H     15.65980409     10.85797659    -10.80861843
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  H     18.61757427      6.41154784    -15.50264747
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  O     15.27148885      8.63755940    -14.52815200
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  H     16.02520231      8.82631572    -15.10479957
          69
 Energy    -248.57943002856584     
  O     13.44927062     11.23430340    -13.66186628
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  H     14.19003262      6.60398335    -16.87776639
  H     14.72041092      9.36207528    -15.62326792
          69
 Energy    -248.57938706977549     
  O      1.05446633     -0.21837501      5.41066756
  H      0.22654166     -0.73206255      5.41564505
  H     -5.65401893     -1.53047387      2.56504113
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  H     -6.41870930     -2.61072555      3.36690147
  H     -2.84944589      0.21784390      1.00627777
          69
 Energy    -248.57923596156937     
  O     -2.38130519      1.16420158      3.36516200
  H     -2.47582779      1.21408548      4.32914791
  H     -5.00457953     -1.36962148      5.37504470
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  H     -2.80878926      0.34644119      3.08071618
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  H     -1.15253965     -1.09171234      7.46483830
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  O     -1.95165057     -1.13544171      0.23714583
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  H     -3.86591723     -1.06388063      7.27754742
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  O     -3.10833344     -3.64022075      5.59146805
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  O     -4.40606561     -0.47489313      6.73702163
  H     -0.11004478      3.22607900      3.74759280
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  H      2.15583586      2.62046069      3.92277383
  H      4.21121562     -1.58127787      5.49960234
  O     -0.02984612     -3.17881777      0.94213507
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  H      0.44567687      2.25442193      0.52761039
  O      1.94033709      0.91196745      6.61893105
  H      2.41798026      2.76465477      1.83144982
  H      0.18279372      3.25874841      1.67595713
  O      3.38410825     -1.18064251      5.24600507
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  H     -2.16753451      2.29129756      6.19930251
  O      0.85891707      2.94062203      1.06453243
  H     -0.56544020     -2.84850225      4.05105817
  H     -1.67533771      0.81738437      6.44442006
  O     -2.40443804      1.35800183      6.11179620
  H     -0.87791390     -3.34758210      2.62170056
  H      1.64185542     -1.86777810      5.08481777
  O      0.69245208     -1.90549610      4.91993758
  H     -6.18140283     -2.05603532      4.64041851
  H      0.49537412     -1.14074649      4.35297317
          69
 Energy    -248.57913002868375     
  O     11.93522886     10.03602761    -15.67218654
  H     12.12740709     10.95423893    -15.44981065
  H     16.65729699      6.47580590    -14.77117163
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  H     12.67605345      9.72138466    -16.20734534
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  O     15.94326621     10.92640180    -11.01859049
  H     16.84652568      7.69509914    -12.60548015
  H     15.12872059     12.18272744    -17.25731570
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  H     15.48240686      6.93788876    -12.62496926
  H     14.85895286      9.29271833    -15.19897378
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  H     15.52242967     10.43837145    -10.29651719
  H     15.59783841      8.67454116    -13.97013168
  O     14.39461357      9.35038483     -9.36831773
  H     15.22205572     11.13847694    -11.62897394
  H      9.98436638      8.30693107    -13.92650954
  O     13.98897866      6.66111367    -11.66202733
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  H     11.26390129      8.98114964    -14.47580085
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  H     17.95977808      7.77260003    -10.34557030
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  H     18.75830591      6.70569596     -9.58017208
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  H     13.22384790      6.21125349    -13.34997506
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  H     12.10990831      6.93686303    -14.12066930
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  H     13.50182045      7.49657356    -11.60740017
  H     18.32229799      9.16964971    -12.49360115
  O     10.92720782      8.36729345    -13.79804512
  H     14.27461276     10.53404530    -13.35171389
  H     17.21553657      9.64654006    -11.48697738
  O     17.88924265      7.09068423     -9.65773132
  H     13.39682743     11.80700388    -13.37468763
  H     16.99845163     10.66229158    -16.63013913
  O     12.81242206      6.28211793    -14.21976780
  H     17.99534357      7.34261731    -16.28236850
  H     17.45699207      9.32944979    -17.21524843
  O     17.51074816     12.70722027    -12.44447188
  H     19.33553982      7.56717056    -17.02301620
  H     12.92792014      9.85001605    -11.91915969
  O     17.83470981      8.93307650    -11.69048684
  H     15.16990065      6.08031415     -8.35409220
  H     11.85486599      8.79173724    -12.20614559
  O     16.81126178     10.03834622    -17.34116468
  H     16.20837457      6.73514512     -9.29491195
  H     13.51923509     12.74291146    -15.49099307
  O     12.52345863      9.04773521    -11.55842909
  H     18.92858562      8.96835454    -14.91398841
  H     12.27457596     13.51216044    -14.99277653
  O     12.73616482     12.68119508    -14.91691698
  H     18.47094038     10.34152252    -14.41471955
  H     14.23011520      8.05769378    -16.92745245
  O     14.25679962      9.02359752    -16.89903632
  H     15.91451254      6.16324972    -16.08420058
  H     15.13066111      9.31579235    -17.19669109
          69
 Energy    -248.57909514385707     
  O     -4.87474233      4.29643096      1.54482343
  H     -5.69029683      4.49377771      1.99767633
  H      2.39018134      3.31799809      4.05386363
  O     -2.95431110     -2.49178645      0.99612972
  H     -4.16362599      4.74362164      2.03988724
  H     -4.54379129      4.30447153     -0.26897742
  O     -1.48988705      4.41485639     -1.67117783
  H     -3.52610559     -3.24547954      1.11480229
  H     -4.94428820      4.78801196     -1.67987291
  O     -3.54884266      1.50124414     -1.25702285
  H     -3.21347488     -2.07242328      0.15587305
  H     -0.50911344     -1.61324299     -1.59761366
  O      1.59445803      0.14584892      4.36046105
  H     -1.19432592      3.51589546     -1.85623311
  H     -0.35874551     -1.70049748     -3.13448231
  O      1.56865301      5.46853317      1.70055818
  H     -2.45127105      4.37295453     -1.60156633
  H     -0.99847817      3.33793787      3.29400190
  O     -1.03014624      2.94622646      1.55097519
  H     -2.60073803      1.55413996     -1.45535336
  H     -1.18641127      2.70424487      4.67869037
  O     -1.11482156      0.91615333      5.00964041
  H     -3.92108720      2.37834328     -1.40499232
  H     -3.61038373      1.57914952      0.53551796
  O     -3.44191133     -1.28982694     -1.39118727
  H      2.03608607     -0.60981559      4.74068075
  H     -4.11011781      2.55805195      1.63205188
  O     -2.19494313     -0.33529741      2.65464794
  H      1.27909587     -0.12836487      3.48221457
  H     -2.19474440      5.66234263      2.16043546
  O      0.50649214     -0.43784488      1.91619591
  H      2.16051283      4.78128714      1.37346166
  H     -2.33207990      4.87825766      3.48988944
  O      2.87736599      2.58586448      3.65484638
  H      1.52844620      5.34591101      2.65704573
  H     -0.77386067      0.66689147     -2.16967977
  O     -4.35007619      4.20401756     -1.21395704
  H     -1.91103349      2.55752552      1.48806906
  H     -0.14178102      1.62983298     -1.14678683
  O     -0.77302296     -1.19770807     -2.43822374
  H     -1.07378231      3.85709647      1.22656400
  H      1.33742554      5.39307835      5.24147019
  O     -1.10226739      3.55839760      4.23232129
  H     -0.18669648      0.66240337      4.93561672
  H      0.42994480      4.39613949      4.48427225
  O     -3.56494300      1.77739881      1.48269256
  H     -1.57496403      0.41425197      4.32474419
  H      1.81678629      2.20480649      0.40989977
  O     -2.82191129      5.41872807      2.85839048
  H     -3.67137600     -0.35118520     -1.38188515
  H      0.30425655      2.19302910      0.77243709
  O     -0.83114963      1.56670881     -1.82352678
  H     -2.61088037     -1.34090567     -1.88003069
  H      0.15735103     -1.77518058      0.64121425
  O      1.31384041      4.80120802      4.49411494
  H     -2.73623053      0.39412473      2.32169460
  H     -1.13413521     -2.55400963      0.35443038
  O      0.99176329      1.72598355      0.26731155
  H     -2.50078212     -1.12936380      2.19807878
  H      4.15442689      3.25224281      0.83180612
  O     -0.27039241     -2.33728483     -0.01769143
  H      0.73585887      0.27900062      1.30722720
  H      3.17261135      2.94059751      1.98902054
  O      3.22818105      3.19954020      1.05043662
  H     -0.42890278     -0.34088852      2.14997741
  H     -1.06893691      5.33970452     -0.15902819
  O     -0.99982334      5.60769108      0.76838058
  H      2.45858684      1.77211412      3.95976701
  H     -0.06176249      5.67226921      1.00656385
          69
 Energy    -248.57895803262790     
  O     16.55004691     11.87795445    -14.45553426
  H     15.78840852     12.16342153    -13.93807001
  H     18.61452969      7.67910811    -11.36948998
  O     15.89161191      6.37486184    -12.14717590
  H     17.19999125     11.56537009    -13.81089461
  H     15.29069581      9.57229394    -11.67998760
  O     11.88095357      8.35674380    -12.10942686
  H     15.78408417      6.23388196    -13.09719059
  H     15.77129238      8.20348346    -12.28884524
  O     14.68800664     10.88862528    -10.49512888
  H     15.02812835      6.25795625    -11.72867312
  H     16.50442558     10.64941782    -15.70793018
  O     19.56040871      8.27679241    -12.96978285
  H     12.34688613      8.95858332    -12.70584113
  H     16.86450696     10.32505784    -17.17420634
  O     12.10373308      6.52215852    -15.99096323
  H     11.28838979      7.82694517    -12.65734190
  H     12.67278957      5.08771463    -12.03695383
  O     15.54717911      6.22014373    -14.89221413
  H     13.84030262     10.54880386    -10.16824078
  H     11.54077695      5.24876503    -13.06837538
  O     13.41678908      9.99192008    -13.77327239
  H     15.37977024     10.52620921     -9.92997461
  H     17.52173768      8.52899864    -15.51981121
  O     16.60689479      9.22902767     -9.18501389
  H     20.44306327      7.99094575    -13.18810398
  H     17.21649035      7.10277338    -15.03406447
  O     13.59944741      4.22753920    -15.12236857
  H     18.99616989      8.04773752    -13.73066472
  H     12.92884680      8.93965913     -9.16175243
  O     14.35160115      7.74735613     -8.56531924
  H     12.76522204      7.21255239    -16.12849724
  H     12.07273731      9.19325621    -10.42710537
  O     17.99422966      7.39722329    -10.68806304
  H     12.59497920      5.70127252    -15.86153121
  H     12.91954658      7.08782877    -11.30999383
  O     15.63414619      9.14036798    -12.47429692
  H     15.05262563      6.98441753    -15.21994897
  H     13.73360106      6.73616937    -10.03659512
  O     16.52967608      9.93643363    -16.36983542
  H     14.98483793      5.44834008    -15.03292447
  H      9.55378691      6.58803322    -14.09700753
  O     12.26024412      4.66342363    -12.79982246
  H     13.47497019     10.93398659    -13.58288156
  H     10.99971457      6.65984261    -14.64486374
  O     17.91069668      7.77282080    -15.06420693
  H     14.24500678      9.61944294    -13.42360563
  H     18.53789203     12.27534371     -9.73918160
  O     12.43329459      9.61844303     -9.63703263
  H     17.18547608     10.00420790     -9.18207921
  H     18.14346688     11.20185483    -10.76829827
  O     13.43635570      6.38677422    -10.88530084
  H     17.09610633      8.55113238     -9.67909641
  H     13.76615724      9.01408391    -15.25455473
  O     10.46638733      6.65517467    -13.82962676
  H     13.15575481      4.30729867    -14.25867187
  H     14.94988087      8.93687270    -16.23307834
  O     18.11720916     11.42417971     -9.82383314
  H     13.57646645      3.30498185    -15.36073424
  H     14.48101777     11.99772308    -11.89880465
  O     14.17130098      8.45224953    -15.93087440
  H     14.43094849      7.40160147     -7.67923673
  H     13.94788361     13.32507918    -12.47859138
  O     14.30827348     12.47750109    -12.72683732
  H     15.15729629      8.26526558     -8.72894696
  H     18.72121628      9.90145422    -12.64982598
  O     18.03279780     10.55700107    -12.48090435
  H     17.33049594      6.86555362    -11.15092136
  H     17.19932115     10.06120476    -12.50367586
          69
 Energy    -248.57872840633297     
  O     15.11309171      8.64465776    -10.44567081
  H     14.43306426      7.96834617    -10.52708402
  H     13.15605759      6.40438786    -16.49781647
  O     15.73155358      5.32172020    -12.19118878
  H     15.91206214      8.20922352    -10.10063397
  H     18.33794677      5.58223962    -16.76191476
  O     15.30150320     12.14593983    -12.90602194
  H     16.60448684      5.18511127    -11.80271325
  H     17.33405222      6.40923928    -15.92601199
  O     17.39128043     11.28605252    -14.71179800
  H     15.69979850      4.86313872    -13.04487636
  H     15.73039470      9.26134437    -16.30035378
  O     10.64096566      8.25513817    -15.41654427
  H     14.90852688     13.00674717    -13.03152320
  H     16.19816785     10.68338529    -15.92427130
  O     17.53883357      7.59896675     -9.73956763
  H     14.67847887     11.49978479    -13.27584850
  H     15.74438133      8.43135791    -12.21186448
  O     12.73751720      7.67110372    -13.63468756
  H     17.93138837     10.61930418    -14.26889928
  H     16.06829466      7.04884551    -12.78978017
  O     13.68759964     10.30474685    -14.20441698
  H     16.81956821     11.66204075    -14.03209221
  H     18.75433672      5.68371313    -12.04290846
  O     13.03270118      9.89352581    -17.67897643
  H     11.23031185      7.96955674    -14.70415717
  H     18.95531204      4.62192064    -10.93379427
  O     15.65192567      4.31874708    -14.72324198
  H     10.98434435      7.84522436    -16.22006140
  H     14.24373235      5.96607923    -11.49260928
  O     16.02580719      7.59104676    -15.71469423
  H     17.87914845      6.81698896    -10.18965935
  H     12.94261482      5.83441614    -10.66437328
  O     13.69468234      6.12115182    -15.74821981
  H     18.13859773      8.32464946     -9.95392591
  H     17.74586954      8.76022956    -13.13158496
  O     17.94970203      5.65707673    -15.89349891
  H     13.16595769      8.53571187    -13.69285314
  H     18.86882116      9.47342800    -12.34756802
  O     15.48399081     10.19558247    -16.35990157
  H     12.91831470      7.30443032    -12.76154200
  H     19.23405824      7.39040485    -13.49074714
  O     16.10810726      7.99378571    -12.99108211
  H     14.31325819     10.22811937    -14.94017666
  H     18.92835331      6.12775256    -14.33722028
  O     18.35960118      5.30098867    -11.23819873
  H     12.84887266     10.59407757    -14.58805807
  H     19.54558682     10.50691946    -10.05793370
  O     13.45598120      6.44775067    -11.18395269
  H     12.43937123     10.37261077    -17.08846344
  H     18.07239721     10.44938703    -10.53039603
  O     18.62409426      9.15898063    -13.22786065
  H     13.92849646     10.08311027    -17.36749319
  H     12.47842420      8.23810079    -17.77281894
  O     19.30146695      6.42647625    -13.49936193
  H     16.45933080      4.60324707    -15.16790286
  H     11.80559432      7.10997981    -18.59068806
  O     18.92596354      9.97802704    -10.55272190
  H     14.92295377      4.78474898    -15.15482764
  H     16.08380447     11.53015445    -11.33824845
  O     12.11224049      7.33696064    -17.71702414
  H     15.21605040      7.07522251    -15.83596167
  H     15.86802728     10.31812886    -10.41302955
  O     16.45516080     11.07010779    -10.57602899
  H     16.06159911      7.82555435    -14.77467894
  H     10.95531377      9.97226359    -15.51523887
  O     11.30873829     10.87799293    -15.58172420
  H     13.34639261      6.58260580    -14.97083257
  H     10.56060209     11.46811739    -15.56970092
          69
 Ord_Energy   -248.578110    
 O   -4.13947964     -0.373798639       2.40120125    
 H   -5.10207701     -0.390521139       2.34765911    
 H   -3.87604594     -0.921292186       3.15760088    
 O   -7.25500393       3.91383839       6.54401445    
 H   -8.00086975       3.78660846       7.12422943    
 H   -6.72918653       3.09551716       6.57794476    
 O   -3.16745877       1.70693362       7.64153481    
 H   -2.94544244       2.64655709       7.64441967    
 H   -2.56332469       1.28462088       7.01857948    
 O   -1.01849508       5.66453028       1.04059410    
 H   -1.39370596       5.36399698      0.203488246    
 H  -0.352348745       5.00988293       1.28343225    
 O   -6.18751240     -0.782400191       5.29807520    
 H   -6.55038691     -0.515240848       4.44588947    
 H   -6.15329266       1.82029195E-02   5.83711576    
 O   -2.48868942       3.76975894       4.66665506    
 H   -3.22377324       3.15605593       4.50963831    
 H   -2.50056124       4.02536535       5.59637213    
 O   -3.15272141       5.59469128       2.73860717    
 H   -2.86783719       5.00265408       3.45029640    
 H   -2.38122892       5.75969839       2.17691517    
 O   -2.49149442       1.44379902       1.26623237    
 H   -3.04165339      0.695432603       1.53970027    
 H   -3.07781315       2.20509815       1.16584408    
 O   -4.48509979       2.01521134       3.97111416    
 H   -4.24161577       1.16396368       3.58838701    
 H   -5.15449286       2.38310432       3.37968683    
 O   -5.64016008       1.73613572       6.46931696    
 H   -5.28885317       1.81958675       5.57030535    
 H   -4.86123800       1.66456890       7.03995991    
 O   -1.48807561      0.385851562       5.68830252    
 H  -0.729538321     -0.121642590       5.97277832    
 H   -1.20610189      0.870330513       4.89880562    
 O   -2.71571565       4.51387548       7.34165478    
 H   -2.22473407       5.09182882       7.91914654    
 H   -3.56278348       4.95780420       7.15293694    
 O  -0.836818159       1.98970568       3.43074918    
 H   -1.31706905       2.69650269       3.89059424    
 H   -1.39109802       1.71875811       2.68295026    
 O   0.781679988       3.50853181       1.73439741    
 H    1.69976830       3.52120399       1.99426353    
 H   0.316391528       2.96035361       2.38588977    
 O  -0.601921141       2.39064503     -0.534999907    
 H   -1.23047280       1.87646389      -6.28454983E-03
 H    3.30456086E-02   2.73885131      0.102019578    
 O   -5.25310230       6.78165627       4.00159407    
 H   -5.35583687       7.69293022       3.73906636    
 H   -4.49534845       6.43033028       3.50373960    
 O   -6.93949175       4.77053002E-02   2.56490993    
 H   -7.69702101     -0.273714215       2.08205104    
 H   -6.84930849      0.989920080       2.34441662    
 O   -4.10866117       3.74760556      0.840510070    
 H   -3.84886360       4.39689970       1.50912714    
 H   -3.63587976       3.98812389       3.36559899E-02
 O   -2.28774786       4.40403080      -1.22325087    
 H   -1.66589296       3.66511965      -1.09524989    
 H   -2.29692125       4.59880400      -2.15626121    
 O   -7.15108061       4.66197729       3.78923392    
 H   -7.29316187       4.40465879       4.70840263    
 H   -6.57483625       5.43547916       3.81509948    
 O   -5.03759480       5.68382263       6.63327837    
 H   -5.82945299       5.13446999       6.69037819    
 H   -5.08578396       6.13517523       5.78191948    
 O   -3.53287625      -1.50653589       4.77703476    
 H   -4.42717981      -1.33242595       5.10906029    
 H   -2.93270826     -0.897788107       5.21952820    
 O   -6.40594339       2.71215844       2.06541872    
 H   -6.77632856       3.43542743       2.59695959    
 H   -5.72665167       3.07953596       1.48448229    
          69
 Energy    -248.57784056200228     
  O     16.36203446     11.50982611    -12.68742324
  H     16.94389580     10.76260826    -12.50132683
  H      9.57133714      7.84560061     -9.04507139
  O     18.26112078      7.98217734     -8.30657546
  H     16.31682381     12.01438775    -11.86705435
  H     12.69230655      7.72225430    -14.13628334
  O     15.19402054      5.26303546    -11.56165134
  H     17.75137501      8.77592927     -8.51219789
  H     12.65165291      7.83714000    -12.60356510
  O     11.92943146      5.93795974     -9.84317458
  H     18.80539377      7.81013441     -9.08539312
  H     13.03049188     12.45315896    -10.66566337
  O     17.83990533      5.09606577    -10.55638802
  H     14.35334215      4.96753587    -11.92963148
  H     13.00823917     12.23565982     -9.15671995
  O     17.09785211      5.57726438     -7.82964225
  H     14.99322212      5.58767350    -10.67028712
  H     14.82413851      8.07975292    -14.50503179
  O     17.68398296      9.13475910    -11.84792060
  H     12.79753526      5.90993710     -9.41929421
  H     14.56722908      8.28510326    -16.01555393
  O     16.14408887     12.74665136    -10.07933211
  H     12.03451961      5.48149447    -10.68507904
  H     18.92722611      6.44814639    -10.78788229
  O     12.02116217     10.35046097     -9.05620118
  H     17.62162998      5.09980075     -9.61545027
  H     20.36804576      6.97026375    -11.00507711
  O     16.70305624     10.08236283     -9.40075674
  H     16.99763419      5.01458424    -11.02087000
  H     14.50274212      7.06960504     -8.82660374
  O     13.74478767      8.79678012    -11.51740708
  H     17.40133592      5.21445036     -7.00209112
  H     15.37706106      5.83853075     -8.47888779
  O     10.34711899      8.12287398     -9.52600662
  H     17.49837110      6.46167748     -7.91394156
  H     11.47125271     10.64814598    -12.03612914
  O     12.19772344      7.43177478    -13.36027135
  H     17.05617379      8.56700272    -12.31724783
  H     12.76391774     11.27938631    -12.66416997
  O     13.43346297     12.76148714     -9.84126737
  H     18.40632122      8.56171076    -11.56337888
  H     10.75539050      8.58916743    -12.71812210
  O     14.17792520      8.40746636    -15.15326107
  H     16.49901751     13.60420697     -9.86005720
  H     10.23089109      8.85228814    -11.29440473
  O     19.48013223      7.25017909    -10.80001994
  H     15.17891167     12.80782406     -9.97429840
  H     12.34642430      5.72991489    -12.85928506
  O     14.59167381      6.11415269     -8.96628662
  H     12.06283304     10.66946554     -9.96756810
  H     12.01615439      4.22094232    -12.94735425
  O     12.24277769     11.20326567    -11.84755973
  H     11.39320430      9.61581732     -9.07834476
  H     14.00180740     10.24982164    -14.43985907
  O     10.33032432      9.25649795    -12.16604962
  H     16.58112134     11.03278413     -9.51469602
  H     14.81615415     11.24689103    -13.57221723
  O     12.51746917      4.86366976    -12.45208673
  H     17.00680740      9.74345714    -10.25578542
  H     13.57694906      9.42810467     -8.70677691
  O     13.93273399     11.06082013    -13.92761222
  H     13.91310996      8.73269947    -10.57055748
  H     15.13775284      9.33328370     -8.92108169
  O     14.32563542      8.82262587     -8.79007904
  H     13.38866558      9.67649165    -11.68863774
  H     15.63553977      6.71448153    -12.60887415
  O     15.68487280      7.60140557    -12.98821226
  H     10.90915063      7.33429089     -9.62430579
  H     15.04822860      8.12835256    -12.47612473
          69
 Energy    -248.57759403148739     
  O     18.64721803     10.52273214    -14.55310278
  H     19.27144706      9.78303600    -14.52868480
  H     20.37791331      7.60759225    -15.01618268
  O     21.50460933      7.99633110    -11.85916882
  H     17.93042920     10.24056006    -15.13205854
  H     20.63289771      4.75414481    -13.16241257
  O     15.20362226      7.89771288    -10.07202256
  H     20.96432201      8.53882813    -11.26645062
  H     19.53401700      3.93560876    -13.88688406
  O     13.12880411      8.77908155    -11.68505213
  H     21.16786335      8.15791388    -12.75031191
  H     15.23622402      9.19396522    -14.98355059
  O     16.60666456      9.41511612    -16.27836287
  H     15.14150286      6.98602124    -10.38969216
  H     15.37447293      9.13784483    -13.45767883
  O     12.03881202      6.21176371    -12.39078577
  H     14.42996489      8.33959075    -10.45423239
  H     17.47282007      7.79268017    -12.74057106
  O     18.62678028      5.72463027    -10.59128641
  H     12.61387640      7.97845424    -11.85018420
  H     18.20228906      6.53278134    -12.19095585
  O     14.64374504      5.44769689    -11.33873440
  H     13.47764297      9.04023304    -12.54476400
  H     15.05617572      5.84001345    -14.39398992
  O     21.25078410      5.37466548    -11.44229734
  H     16.45643678      9.81779473    -17.13028029
  H     14.42029425      7.23256793    -14.11557049
  O     16.87583949      3.70502591    -11.30672838
  H     17.02782583      8.55481480    -16.45335105
  H     16.81475551      7.90681216     -9.22687479
  O     17.91350573      2.96165000    -13.68568531
  H     11.23587988      5.89149406    -12.79361924
  H     17.72121332      7.93283664     -7.97978739
  O     20.12712763      8.18790666    -14.28840017
  H     12.72685513      6.16761840    -13.07742650
  H     20.40503220      5.52729760    -15.44150615
  O     20.30316721      4.49968797    -14.03202684
  H     18.48066033      6.42334457     -9.94376325
  H     21.15589074      5.85138032    -16.75368150
  O     14.73762877      9.00926141    -14.17820415
  H     19.57624880      5.61245334    -10.73583612
  H     19.29899453     10.15290996    -10.84606153
  O     17.95370665      6.99518824    -13.00119053
  H     13.68749644      5.41799651    -11.23813388
  H     19.03026805      9.00770798     -9.84516793
  O     14.29288331      6.28022382    -13.99671298
  H     14.76373644      5.74709387    -12.25251529
  H     18.29600676     12.25682402    -11.92086474
  O     17.73841322      7.86616113     -8.93223482
  H     22.04236035      5.01096038    -11.05586576
  H     18.47062533     11.09798565    -12.93404718
  O     20.45406828      6.15554133    -16.18493442
  H     21.41698093      6.32563151    -11.58653855
  H     17.17905039      5.89682638    -14.16634366
  O     19.73050145      9.46950295    -10.31861689
  H     17.52442320      4.33097725    -10.95330997
  H     17.06357142      4.40165810    -14.54275508
  O     18.31084019     11.30690589    -11.99456828
  H     16.03022066      4.16725703    -11.26295561
  H     18.68792197      6.75710124    -16.66573734
  O     16.72690987      5.27711822    -14.76303507
  H     17.52908665      3.16230779    -12.81298652
  H     17.30471193      6.31655360    -16.18029346
  O     17.75222263      6.98339930    -16.71870079
  H     17.83158781      2.02055264    -13.81280515
  H     17.07210165      9.97260314    -11.95849027
  O     16.54082176      9.18859373    -12.14318081
  H     19.38407453      7.74905557    -13.84603996
  H     16.13181862      8.86840233    -11.33039049
          69
 Energy    -248.57753337658312     
  O     18.32638498     10.20464552    -10.43225036
  H     18.48945570     10.67465791    -11.26120096
  H     18.93841356     10.27053175     -7.21571584
  O     18.11202115      5.78366800     -9.59082806
  H     18.66198199      9.31045773    -10.60721824
  H     17.15933881      7.84900345    -13.41759854
  O     19.18064090      4.39734557    -12.78352656
  H     17.65233914      5.25136177    -10.25303939
  H     18.44201556      7.49779594    -14.24056270
  O     19.49627543      6.19916755    -15.00263769
  H     18.88786728      5.31351533     -9.26162678
  H     21.17631060      4.61977781    -10.31241506
  O     21.90870844      8.35807918    -10.79909670
  H     18.25844620      4.38906889    -12.50172687
  H     20.64770433      4.44330092    -11.76485241
  O     16.59368005      4.73696093    -11.64407848
  H     19.22863428      4.95807476    -13.56691302
  H     12.97432805      7.08961335    -11.31405233
  O     21.73545720      7.51979370    -14.25660191
  H     19.56979736      5.92064410    -15.91148317
  H     13.38282378      5.61248671    -11.46291968
  O     21.01868315      7.64911759     -8.20569995
  H     20.32881903      6.65388116    -14.77855868
  H     16.54964613      9.60349299    -10.40347141
  O     14.25139895      6.30137774     -8.40824749
  H     22.46718225      7.67056559    -11.18610209
  H     16.06667865      8.47233229     -9.47937319
  O     23.22770911      6.30031103    -12.17374585
  H     20.98780084      8.09151663    -10.96323925
  H     14.80745646      6.98234204    -12.49707334
  O     19.27805150      7.74961877    -11.20205000
  H     15.79670235      4.41079486    -11.20764989
  H     15.80162512      7.87659037    -11.72077535
  O     18.83419270      9.53075178     -7.80975566
  H     16.35792566      5.60619164    -11.99996543
  H     22.48703282     10.72173564    -12.98788724
  O     18.03968064      8.16334496    -13.66810117
  H     22.29407349      7.05734166    -13.61840523
  H     21.86210574      9.60568363    -12.12304585
  O     21.45063739      4.55433196    -11.23299649
  H     21.71326278      8.43947017    -13.96910761
  H     17.24485320      6.88598127     -8.55123853
  O     13.16809233      6.40640839    -11.96851374
  H     21.46021091      7.98160141     -8.99877491
  H     17.41825849      8.21806546     -7.78030904
  O     15.80889004      9.00585384    -10.24563433
  H     20.30834201      8.27129234     -8.01293614
  H     14.02082229      8.78802902    -10.08722691
  O     15.73093851      7.27055980    -12.47052632
  H     15.08094135      6.69061946     -8.10343969
  H     12.56705692      9.21449993     -9.78542657
  O     21.76179700     10.10231778    -12.95160625
  H     13.74414001      7.02575567     -8.79544830
  H     18.58125422      9.97149254    -13.38283631
  O     16.76133005      7.57115477     -8.06074681
  H     24.08976132      5.89604254    -12.20221566
  H     19.92092856     10.65462719    -13.07241073
  O     13.12200487      8.45267721     -9.93220403
  H     22.60656827      5.61982158    -11.85075796
  H     20.75711377      5.92223637     -8.37312695
  O     18.96577066     10.78728685    -13.03303030
  H     18.88445517      7.01540176    -10.71622384
  H     20.83699091      4.49359666     -7.78101467
  O     20.55972747      4.98466353     -8.54964221
  H     18.88691713      7.79474815    -12.08448263
  H     13.70880732      3.54713096     -9.90526069
  O     14.18221381      4.29705083    -10.25564928
  H     18.67418485      9.90497791     -8.69251676
  H     14.23029969      4.95655516     -9.54085710
          69
 Energy    -248.57735917270375     
  O     -0.10010119     -2.79208523      0.19992108
  H      0.31771238     -1.93371418      0.36650439
  H     -4.09803379     -3.85546330      1.74187639
  O     -1.77655578     -0.05454413      7.13671274
  H     -0.98431368     -2.60543631     -0.14023032
  H     -3.51550673     -7.57404548      1.15134348
  O      2.86887682     -2.87220185      3.29351036
  H     -2.69754450     -0.34228420      7.11259329
  H     -2.40074313     -6.70945072      1.75563938
  O     -0.70366301      0.34562691      2.93881338
  H     -1.24471152     -0.86092171      7.09968342
  H      2.61698158     -4.41922560      4.37024173
  O      0.69473035     -5.01848646      6.97999240
  H      2.04440067     -2.44812707      3.58551894
  H      2.10194266     -5.84397089      4.11072758
  O     -4.45501196     -0.93574835      6.58786129
  H      3.52614570     -2.18325887      3.23925393
  H     -0.64914121     -3.51654030      1.76525122
  O     -0.46285830     -2.48183461      6.64135828
  H     -1.54019914     -0.01671869      2.60894789
  H     -0.94188006     -4.73079363      2.72110953
  O     -1.68397613     -5.83258373      5.60146577
  H     -0.91833261      0.93287936      3.67397235
  H     -3.47807920     -3.21766540      4.33233862
  O     -4.07454330      0.61676460      4.36937748
  H      1.10538941     -5.47413971      7.70985793
  H     -2.58538067     -3.37293101      3.08755713
  O      0.95246488     -0.29836616      0.81324054
  H      1.30246744     -5.09565505      6.22268633
  H      1.75316395     -6.00450794      1.94258081
  O     -1.12109661     -6.51137953      3.00996610
  H     -4.39916313     -0.41847148      5.76508105
  H      2.12654340     -7.49253538      2.14144891
  O     -4.07066199     -4.13341937      0.81743987
  H     -5.29176644     -0.71860925      6.99029008
  H     -3.02481585     -1.03849692      1.14903977
  O     -3.09062517     -6.72319390      1.07349131
  H     -0.09998560     -2.24500152      5.77506903
  H     -3.29172528     -1.53014096      2.58592616
  O      2.30556910     -5.21674406      4.81503106
  H     -0.03201560     -3.30577854      6.89920906
  H      2.36122562     -3.89763475      1.75841239
  O     -0.92993679     -3.76808139      2.65507092
  H     -0.89934876     -5.62978385      6.12552037
  H      1.33198207     -3.99766594      0.61496036
  O     -3.47445966     -3.10899962      3.37492540
  H     -2.31705584     -5.13075716      5.79364583
  H      0.08044082     -1.08832741      3.74839069
  O      1.63067088     -6.77502371      2.52667603
  H     -3.29853164      1.14478898      4.59424485
  H     -0.05872289     -2.63330351      3.64364889
  O     -3.09563744     -0.73712526      2.06152481
  H     -3.89611547      0.24709364      3.49591053
  H     -1.41005933      2.64933962      5.54568602
  O      2.00306195     -4.49973838      1.09322001
  H      1.22794901      0.46998683      0.31891797
  H     -1.57278879      1.15399762      5.90863456
  O      0.42702619     -1.92129324      4.09136921
  H      0.41539404      0.03526358      1.54916994
  H     -2.18874081     -3.06059795      6.30276507
  O     -1.56539159      1.78790765      5.16837907
  H     -0.18765174     -6.73632382      2.91449940
  H     -3.66649546     -2.62750001      6.37447513
  O     -3.09157030     -3.36232497      6.12575316
  H     -1.32301443     -6.37199822      3.94898223
  H     -3.18756371     -1.94975859     -1.27324829
  O     -2.78289589     -2.13201589     -0.42954940
  H     -3.76775633     -5.05219508      0.82495254
  H     -3.26815144     -2.88657195     -0.04545860
          69
 Energy    -248.57725063428279     
  O     -2.09223609      3.68295571      4.72630636
  H     -1.92272727      4.02997906      3.84344911
  H     -1.34157599      2.78424135     -1.49683831
  O      0.98041001      1.35261130      0.25252476
  H     -1.39720513      3.02391110      4.87288029
  H     -4.90612240      3.70787654      6.00177850
  O     -1.51133341     -0.23959761      3.34107468
  H      0.47043873      1.65073469     -0.50935905
  H     -3.67030690      3.28267837      5.17620092
  O     -4.33783716      0.51187424     -0.12804459
  H      0.64145400      0.47647149      0.48120278
  H     -2.01700275      4.06424387      0.21678670
  O     -2.68680799     -3.03655841     -1.12343009
  H     -2.19719149     -0.85642310      3.62387571
  H     -3.34038207      3.74410924     -0.50605483
  O     -0.36698922     -1.00433286      0.94950224
  H     -1.99508136      0.50384197      2.94750831
  H     -5.26602488      3.13373840      3.56965215
  O     -5.09723634      0.29491158      5.54890446
  H     -4.62214197      1.40793368     -0.34155638
  H     -6.03070348      2.05360919      2.76968825
  O     -6.75709434      0.49576278      3.18678861
  H     -3.55688382      0.28001865     -0.65119897
  H     -0.49138243      3.70773465      2.09383752
  O     -1.95504427     -0.28410705     -1.22182756
  H     -1.95274477     -3.34727380     -0.57782321
  H     -1.91255918      3.09748542      1.98511910
  O     -5.40978139     -1.35149035      1.57572549
  H     -2.48670060     -2.11762413     -1.33982040
  H     -5.91758339      3.68437542     -0.43707781
  O     -2.93214175     -3.96808092      2.47958324
  H     -0.35811812     -1.96838360      0.91611380
  H     -5.29655931      3.20544397      0.89131770
  O     -0.74512689      2.13905717     -1.91707256
  H     -0.71008058     -0.75927852      1.82112679
  H     -4.36708977     -1.53561806      3.06917267
  O     -4.60028109      3.06111478      5.37132801
  H     -4.86698497      1.23605523      5.50998660
  H     -4.21734426     -1.07317542      4.53398990
  O     -2.39680475      3.87160969     -0.65242958
  H     -5.33289188      0.11304026      6.45637704
  H      1.18050212      2.38290994      1.62501008
  O     -5.48404088      2.85117166      2.67446740
  H     -6.34763888      0.32742571      4.04383990
  H      2.05550382      3.39313775      2.40340799
  O     -1.42132589      3.93362297      1.95897368
  H     -6.44488505     -0.20928847      2.60256209
  H      0.45866425      2.14557000      3.96849784
  O     -5.15429087      3.24544240     -0.06885582
  H     -1.42112427     -0.52850057     -0.45038596
  H     -0.47296146      0.97747994      4.34158307
  O     -3.84616094     -1.67130910      3.87549846
  H     -1.53750723      0.49713316     -1.60534544
  H     -4.12320065     -3.52339277     -0.25408053
  O      1.19674560      2.97909233      2.39498780
  H     -5.35673290     -2.21468212      1.14861939
  H     -5.34300384     -4.46682706     -0.11982736
  O     -0.07782854      1.78854148      4.68747101
  H     -5.06615864     -0.70553775      0.94058248
  H     -1.48141348     -3.86915067      1.51014847
  O     -4.84206855     -3.80047783      0.34232865
  H     -3.65253096     -4.03167782      1.83951645
  H     -0.19016154     -4.53320567      0.97349313
  O     -0.75699397     -3.77449657      0.86551785
  H     -3.19623559     -3.28587818      3.10955017
  H     -3.31943077      1.18834524      1.27477444
  O     -3.02322212      1.64639340      2.07078072
  H     -0.43906056      2.53527096     -2.72845073
  H     -3.81875449      2.05180997      2.43735452
          69
 Energy    -248.57696207666845     
  O     16.30972163      9.32806031    -16.38461372
  H     16.83284972      9.06367737    -15.61292231
  H     17.23330742     10.17481657    -17.60716755
  O     14.82537850     11.68287231    -15.30417374
  H     15.62070390      9.91129005    -16.05173755
  H     16.20331539     12.08521400    -11.20283879
  O     19.99710881     10.11022027    -10.88784579
  H     15.74346996     11.76152308    -14.99808773
  H     15.21560731     11.72897771    -10.07009845
  O     20.17734515     12.69178874    -11.81917980
  H     14.34211707     11.27018955    -14.57470309
  H     19.75638210     16.86034525    -13.57679743
  O     13.91120558     10.46906276    -13.00920493
  H     20.09522217     11.04858955    -11.11873657
  H     18.50127374     16.32030489    -12.86796831
  O     17.32679014      9.19777121    -11.39688669
  H     20.61807845      9.93400168    -10.18491728
  H     20.39434097     12.29267252    -15.18440909
  O     17.84507782      9.00956981    -14.08838024
  H     20.41697895     12.51225816    -12.74107768
  H     21.51891031     13.05040855    -14.42367772
  O     15.53608285     12.62919470    -17.86743720
  H     20.58967791     13.53034726    -11.57561083
  H     15.75599078     14.32217975    -17.65211485
  O     18.37929709     15.12514488    -16.15383924
  H     13.78614709      9.53887862    -12.83071309
  H     15.44282068     15.78044136    -18.06868583
  O     21.25176921     15.22632786    -11.42943963
  H     14.44362763     10.80727180    -12.27480562
  H     19.72359001     16.17529312    -15.71341798
  O     18.97507543     12.44703128    -16.35950675
  H     16.72119261      9.90029533    -11.13514622
  H     20.66201338     17.37309318    -15.99063715
  O     17.68826166     10.77250614    -18.22770725
  H     18.20913644      9.48088653    -11.12253433
  H     17.64083175     15.16427812    -14.41578129
  O     15.55845988     11.42100966    -10.90570779
  H     17.56582179      8.92353586    -13.16511887
  H     16.20752271     15.09259736    -13.87356711
  O     19.37396859     16.69988778    -12.70417317
  H     18.81220103      9.06977398    -14.08276172
  H     22.01808198     14.91852532    -13.20912995
  O     20.99916775     12.23301175    -14.43372844
  H     15.14932551     12.26096516    -17.06144400
  H     21.66091016     15.40688366    -14.62055904
  O     15.87549843     15.25655379    -17.40006549
  H     16.25268680     12.03443185    -18.11763405
  H     20.46194088      9.59730767    -12.73731848
  O     20.45041104     16.70532975    -15.34347863
  H     17.55133041     15.26324395    -16.63171862
  H     20.82249347     10.38624683    -14.01108932
  O     17.12553897     15.23862260    -13.60176986
  H     18.64520367     14.20585201    -16.30072938
  H     17.55649523     10.78469671    -14.15816171
  O     22.14457132     14.72045630    -14.14454953
  H     21.67293930     15.73905510    -10.74522928
  H     17.41366325     12.17040009    -13.43708157
  O     20.51713892      9.52496244    -13.69742368
  H     20.55359240     15.78748535    -11.81335429
  H     14.60906602     13.63162174    -14.92990303
  O     17.37489086     11.72633397    -14.29057530
  H     18.39317503     12.21731788    -15.61596547
  H     15.00994835     14.90023659    -15.69815973
  O     14.75767387     14.57775540    -14.82348709
  H     18.68887141     11.89739676    -17.09783992
  H     18.40039087     13.00877330    -11.75956153
  O     17.44813682     13.13182079    -11.87273975
  H     17.93803713     10.24580687    -18.98201706
  H     17.31586828     13.93731202    -12.39400261
          69
 Energy    -248.57657203784623     
  O     19.88354964     12.33498386    -19.10053954
  H     20.61063384     12.51463704    -18.48348118
  H     19.04913162     16.05538726    -16.86470979
  O     18.37949312     17.66455525    -13.83514453
  H     20.28176168     12.06119525    -19.92357928
  H     14.96489218     12.79523220    -13.28247325
  O     21.87899592     12.71923961    -17.18183522
  H     17.84681535     17.84952101    -14.62248081
  H     15.19550796     11.27629110    -13.24435251
  O     16.19684373     14.17581629    -13.04136628
  H     19.28249305     17.97455552    -13.99481660
  H     22.14176221     15.95316770    -16.51805363
  O     15.95727014     13.01993274    -17.42782129
  H     22.67541006     12.20456066    -17.07948629
  H     22.18866018     15.21883327    -15.15556322
  O     16.70803517     10.07240170    -13.09282022
  H     22.08039767     13.61418786    -16.84989760
  H     18.87861233     12.36032981    -13.72811422
  O     14.03911501     11.41766041    -16.13797430
  H     16.47176744     14.93842483    -12.51830977
  H     17.85654803     11.52685016    -12.90208133
  O     21.48586118     17.57520758    -17.19687158
  H     16.94396297     13.55967024    -13.02894277
  H     15.49663075     10.15361063    -15.97782960
  O     17.42077399     16.33714533    -11.70116690
  H     16.71940455     12.43625750    -17.30699788
  H     17.00689912     10.13317726    -16.28612513
  O     19.74818586     12.68481712    -15.27551881
  H     15.19432272     12.51912821    -17.11189139
  H     17.57928015     17.56675433    -16.87558504
  O     17.87166429     14.43202244    -19.09273732
  H     16.61248165      9.86910124    -14.04066717
  H     16.42967154     16.97057388    -16.05528126
  O     19.05245607     16.50677880    -17.72183087
  H     16.68519602      9.23981405    -12.62881035
  H     22.61934085     15.54481561    -12.71676313
  O     14.56420050     11.94998586    -13.52504551
  H     14.15372808     11.65583231    -15.20026285
  H     21.11900054     15.22761546    -12.86462733
  O     22.34843100     15.10781583    -16.10142540
  H     13.11219356     11.23338503    -16.26311208
  H     21.21199180     18.01783151    -15.34925168
  O     18.33989361     12.36202719    -12.92356058
  H     21.78898792     18.19780585    -17.85212329
  H     21.38810566     17.28985053    -13.99911492
  O     16.32205460      9.70668338    -15.75320920
  H     20.61288237     17.25968657    -17.49035766
  H     18.99584898     15.23950312    -11.75019907
  O     16.93487260     17.78473506    -16.19178673
  H     17.15414322     16.93252549    -11.00610036
  H     19.32291312     13.79652068    -12.16927843
  O     21.89378725     15.57916782    -13.33594799
  H     17.73012530     16.88968904    -12.44217022
  H     18.68363085     11.48606087    -17.89603154
  O     21.01107670     18.07965446    -14.40769796
  H     19.47635160     13.61785920    -15.27337256
  H     18.65917690     11.75807154    -16.38191102
  O     19.72751022     14.64924283    -11.96596625
  H     20.55202569     12.62774163    -15.80158284
  H     17.83467786     15.13699520    -15.44654546
  O     18.16772223     11.32836576    -17.09709247
  H     17.10286678     14.03440620    -18.66682986
  H     18.85621748     15.96990324    -14.65823545
  O     18.78267050     15.22367741    -15.26368829
  H     18.53519786     13.73471200    -19.15389664
  H     15.93224738     14.42433161    -16.27459448
  O     16.04641687     15.15089656    -15.64747309
  H     18.63452642     15.88798054    -18.33662834
  H     15.94922456     14.79744797    -14.75237479
          69
 Energy    -248.57648137440219     
  O     14.38233720      8.94442460     -9.91980896
  H     13.88290670      8.98665384     -9.10849358
  H     13.52683135      6.66500119    -17.10108895
  O     15.40950898      5.41723608    -12.88075930
  H     14.92456201      9.75506187     -9.95928551
  H     17.58706244      5.40630417    -15.73403828
  O     15.69297871     12.34522505    -12.56194656
  H     16.06235310      5.14464709    -12.22583125
  H     18.91339731      5.63579409    -16.49987044
  O     17.72886812     11.53361649    -14.45371479
  H     15.63481895      6.34156704    -13.06783169
  H     16.30786657     11.03158093    -15.58822198
  O     11.07965072      7.96440142    -15.51740208
  H     16.41049659     12.18116956    -13.18409657
  H     15.82936212      9.68516885    -16.16487708
  O     16.95496294      7.61117535     -9.73302647
  H     14.88653056     12.06207160    -13.01209256
  H     15.14822042      8.43362651    -13.11793100
  O     12.95589910      6.49132890    -13.89834711
  H     18.50492856     12.04550571    -14.66803099
  H     16.05123327      8.09717775    -14.35406144
  O     13.62240069     11.12299786    -14.04795610
  H     18.03097292     10.77720726    -13.92341917
  H     18.21434016      5.73479483    -11.91279132
  O     13.17565670     10.25705570    -17.54605971
  H     11.39818964      7.76904639    -16.40792678
  H     18.22803241      4.61089507    -10.85055602
  O     16.10976598      4.53011486    -15.45756867
  H     11.55347547      7.36838444    -14.92557492
  H     17.51665732      8.92553553    -12.95061764
  O     16.28184057      7.95658983    -16.15795982
  H     17.10116816      6.79183080    -10.22037495
  H     18.50672518      9.56760507    -11.93119522
  O     14.11373101      6.27162175    -16.44369253
  H     16.03182276      7.86423121     -9.84825621
  H     18.89348044      6.40215523    -14.08443317
  O     18.32588940      6.02965717    -15.86021076
  H     13.03406648      7.32605605    -13.40963241
  H     19.02580541      7.56826867    -13.08528718
  O     15.55658959     10.60289762    -16.01640355
  H     13.58966935      5.89672708    -13.47910559
  H     19.21576705      9.82453940     -9.44011412
  O     16.01330410      8.10031679    -13.38811208
  H     14.27549314     10.92200063    -14.73423335
  H     18.01966622      8.96022415     -9.91160538
  O     17.67843580      5.29093217    -11.23093303
  H     12.75649652     11.10075893    -14.47436441
  H     12.70462788      8.62727453    -17.96197679
  O     18.37556324      9.37196996    -12.86825854
  H     14.02858042     10.48147381    -17.15375518
  H     12.02832974      7.65052791    -18.95519887
  O     19.09144849      6.60853526    -13.16266787
  H     12.50494091     10.54924042    -16.91577149
  H     15.88686040     11.59517049    -10.94684819
  O     18.53852298      9.76268242    -10.10775880
  H     15.39357648      4.94111578    -15.95911127
  H     16.90680355     10.80056898    -10.08982970
  O     12.37386527      7.71722694    -18.06943082
  H     15.88292235      4.67477798    -14.52833468
  H     10.38063717     11.06764786    -15.45414226
  O     15.98612841     11.08104503    -10.13149928
  H     15.52977924      7.37338155    -16.33853735
  H     11.13659795      9.71819338    -15.40383157
  O     11.25305803     10.68343526    -15.45938111
  H     17.07453513      7.40645573    -16.15040336
  H     13.70099052      8.90229883    -11.60364121
  O     13.47799947      8.81920514    -12.54049758
  H     13.67240357      6.35093016    -15.58540005
  H     13.47009473      9.69562294    -12.94905113
          69
 Ord_Energy   -248.575775    
 O   0.231758416     -0.397538573       3.25009370    
 H  -0.360189587     -0.968051076       2.73674273    
 H    1.12891352     -0.633554876       2.98809767    
 O    2.33371425       1.50796914      0.695762098    
 H    1.67168546       1.95090902       1.24034846    
 H    2.58406305      0.714885175       1.18535948    
 O   -3.79841614       1.38315046      0.333547205    
 H   -2.88081765       1.65582848      0.186447054    
 H   -4.07053566       1.79230726       1.16757846    
 O   0.176172987       2.28184056       2.40022182    
 H   0.179895684       1.35960007       2.69757628    
 H  -0.421985239       2.74947643       2.99546504    
 O    2.40338039      -1.30354571      -2.89787197    
 H    2.41779113     -0.370447934      -2.62937427    
 H    3.13110924      -1.42527020      -3.50354242    
 O   -4.00323534      -2.44649720     -0.960979700    
 H   -3.27119589      -2.94564533      -1.34186101    
 H   -4.09531546      -1.64314795      -1.48736453    
 O   -4.21701241       2.25796604       2.89860868    
 H   -4.33516026       1.44082475       3.39801574    
 H   -3.44292331       2.68681312       3.28323102    
 O   -4.23072720      0.200673267      -2.10901451    
 H   -4.15383291      0.671545267      -1.26199591    
 H   -5.01880836      0.531656265      -2.53320098    
 O   -1.61689889      -5.46076596E-02  -3.13131166    
 H   -1.17632985      0.808168948      -3.10002398    
 H   -2.53730726       7.13093430E-02  -2.87240338    
 O  -0.211026460      -2.34547973      -3.59271312    
 H   0.692427456      -2.05394650      -3.43428469    
 H  -0.746518612      -1.53719735      -3.62256193    
 O  -0.461066186     -0.581726909     -0.602048397    
 H  -0.803080559     -0.580047667      -1.50484598    
 H   0.385222524      -1.04275656     -0.590427816    
 O   -1.82108188      -3.94843674      -2.09856987    
 H   -2.05369401      -4.72405577      -2.60363293    
 H   -1.23280084      -3.41670537      -2.66255689    
 O    2.73368645     -0.975035191       2.03338194    
 H    3.50269485      -1.42104793       2.37861657    
 H    2.47050357      -1.45121264       1.22618067    
 O   -1.73537970      0.576980412       5.03152514    
 H   -1.01702976      0.145752847       4.54969311    
 H   -2.55433273      0.143418014       4.76040697    
 O    2.46986032       1.33919334      -2.00604606    
 H    3.09901643       2.00745726      -2.26878786    
 H    2.39847112       1.40046883      -1.03639019    
 O    1.89546752      -2.15582633     -0.268287212    
 H    1.27806008      -2.90069509     -0.180509344    
 H    2.16687870      -2.06733751      -1.18836546    
 O   -4.25580692     -0.389818937       4.07417965    
 H   -4.95169210     -0.831924438       4.55440521    
 H   -4.25162315     -0.771061242       3.18023992    
 O  -0.215609893       2.25529432      -2.64353228    
 H  -0.574518085       2.40542507      -1.75714636    
 H   0.699722290       1.98748493      -2.50304580    
 O   -4.08134317      -1.18423164       1.45943034    
 H   -4.15651798      -1.76875412      0.690302670    
 H   -3.97189522     -0.291270673       1.10231495    
 O   -1.80465746       3.15851784       4.21232700    
 H   -1.77251470       2.26326847       4.59801817    
 H   -1.79046905       3.77297902       4.94138288    
 O   -9.86458883E-02  -3.94848084      0.161301985    
 H  -0.587044835      -3.43197012      0.816452384    
 H  -0.698342800      -4.04769945     -0.589106381    
 O   -1.14372480       2.00834680      -1.14675099E-02
 H  -0.843037486       1.10525978     -0.200122297    
 H  -0.730019212       2.25152254      0.825913191    
 O   -1.39392853      -1.89898276       1.62193012    
 H   -1.12603319      -1.44366455      0.808097303    
 H   -2.34505033      -1.75779188       1.69076896    
          69
 Energy    -248.57574342302007     
  O     16.12990789     11.93789376    -10.51021011
  H     16.17517606     12.35621104    -11.37916376
  H     11.55383562      5.04061312    -13.69083791
  O     12.80119490      6.57373106    -10.80716880
  H     15.19693810     11.92121089    -10.26791981
  H     15.36665749      5.21420467    -13.56841271
  O     17.60383104      9.04072315    -15.05717963
  H     12.53440578      6.26698999    -11.68114414
  H     15.02343349      5.00672603    -15.05263512
  O     17.03093985      8.60376826    -12.41178761
  H     13.65949611      6.17042734    -10.62527971
  H     17.39587983      5.54288139    -13.29917336
  O     16.61228705     11.65608234    -15.26323341
  H     17.49457448      8.89109488    -14.10609589
  H     16.92595274      6.80361855    -12.52477424
  O     13.35646825      9.05243829     -9.84360188
  H     16.81226808      8.69006124    -15.48674202
  H     14.16456138     10.27605820    -12.63424714
  O     15.20563725      8.20381083    -16.30988641
  H     16.10318961      8.88463098    -12.43472850
  H     14.05475880      9.17183135    -11.54532006
  O     14.60392619     10.84927011    -17.12471299
  H     17.41709416      8.98639130    -11.61536706
  H     12.76120953     12.16099515     -9.35725201
  O     15.93225079      5.55681620    -16.63274619
  H     15.94729903     11.49624728    -15.94330947
  H     13.21489027     10.79572790     -9.92252935
  O     13.10202055      8.14203915    -14.50836724
  H     17.09654228     10.82469887    -15.17663798
  H     12.58737874      9.87099821    -15.05289221
  O     15.46640442      5.61520691    -10.22510439
  H     14.17431363      8.81150120     -9.38005944
  H     12.77945890     11.29335745    -14.47561703
  O     12.20238321      5.70134863    -13.46502238
  H     12.95185510      8.21881633    -10.12643009
  H     16.49131970      8.63507216     -9.20603540
  O     14.66583060      4.91456985    -14.16207094
  H     14.47396024      8.09529764    -15.68351015
  H     15.75325641      7.27132427     -9.29186552
  O     16.81798420      5.84419384    -12.58195521
  H     15.05689118      9.05010102    -16.74907283
  H     17.50974730      5.25919374    -15.52481890
  O     14.40569355      9.36484034    -12.42459276
  H     14.31719441     11.24928726    -17.94095367
  H     18.84993026      5.90327948    -15.13234942
  O     13.27279292     11.75873420    -10.05414295
  H     13.84943922     10.89283038    -16.50870995
  H     17.19168490     10.61198350    -10.15301997
  O     12.61809345     10.80691594    -15.29445226
  H     15.70262134      6.50014632    -16.60917368
  H     18.54221298     10.12583119     -9.57213782
  O     15.73138342      8.14219891     -8.87490034
  H     15.88817716      5.28775796    -17.54688812
  H     16.27581120     12.60439604    -13.87374722
  O     18.20259861      5.23994758    -14.85460062
  H     12.66899690      7.33027083    -14.22156726
  H     16.29623439     14.02659356    -13.26766152
  O     17.75127466      9.82665198    -10.01197388
  H     13.56374250      8.49784735    -13.73375933
  H     19.06016429      8.05693558    -15.51690719
  O     16.01212830     13.13229245    -13.09824508
  H     15.63035481      4.77258497     -9.80796542
  H     20.57914436      7.88870859    -15.67608267
  O     19.75757992      7.40477022    -15.69046690
  H     15.98600109      5.62204862    -11.04626057
  H     13.25086793     12.01923754    -11.91986813
  O     13.46957371     11.98248599    -12.86029153
  H     13.07425779      5.34276849    -13.71711560
  H     14.28674212     12.48572152    -12.97951049
          69
 Energy    -248.57544916680695     
  O     17.21718618     11.86910252    -18.07165049
  H     17.40731478     11.18271834    -18.70688146
  H     13.96603897     13.86227109    -12.97654522
  O     19.15144388     17.39536957    -14.55635143
  H     18.06124878     12.30067447    -17.86630481
  H     21.33907985     15.06417253    -14.63810099
  O     16.10904912     15.87773090    -11.97243979
  H     19.23824905     18.01062797    -13.81752922
  H     20.25758234     16.00729438    -14.06356169
  O     14.50533886     15.81567546    -16.47259430
  H     18.22471382     17.12100642    -14.60348093
  H     17.34091608     14.72826450    -11.25498347
  O     16.04778620     12.06552269    -11.30442236
  H     16.25175053     16.06848442    -12.90915899
  H     18.50219975     14.61786477    -10.23451162
  O     13.97651720     13.63763959    -14.68082577
  H     15.33098141     15.30753544    -11.91705278
  H     16.44692929     11.38627767    -14.82772167
  O     21.74486785     14.60708769    -16.42878297
  H     13.82707938     16.30675144    -16.92849583
  H     16.30556439     11.63967086    -16.37537737
  O     17.67390082     17.73705376    -10.56891686
  H     15.02669054     15.35713894    -17.15539776
  H     20.87708148     16.31762531    -16.90391189
  O     19.39118037     13.11878307    -12.99923999
  H     15.29521863     12.62984523    -11.51572757
  H     19.83470307     17.24555569    -16.24805399
  O     16.06465732     14.55416375    -18.29974638
  H     16.72709235     12.66528441    -10.96857079
  H     20.70248316     17.55950834    -11.67361885
  O     19.34047758     13.54723925    -17.35316103
  H     14.56476496     12.93605435    -14.99418858
  H     21.20864423     16.19158306    -12.17001132
  O     14.02666253     14.00984915    -12.01511503
  H     14.07676672     14.37364071    -15.29444790
  H     18.76057364     18.56006774    -11.64014217
  O     20.90391661     15.32807827    -13.81944571
  H     20.97800745     14.11115531    -16.75828185
  H     19.50836576     19.85217831    -12.05068125
  O     17.96059467     14.10624882    -10.84672535
  H     22.52228516     14.16320644    -16.75865308
  H     20.16484659     16.15737555    -10.04023949
  O     15.93284757     11.84747201    -15.51228242
  H     17.02091281     17.17042772    -11.00227308
  H     19.99329491     15.86963997     -8.52885914
  O     20.19501493     16.96911149    -17.10254553
  H     18.20681361     17.15594382    -10.01220923
  H     18.27361081     11.46237276    -13.32286528
  O     21.12593988     16.74277537    -11.38112395
  H     20.03308600     13.81039101    -13.20768500
  H     16.90357614     11.22191937    -12.67611645
  O     19.44410715     18.91922853    -12.23488941
  H     18.93041136     13.40707124    -12.19713010
  H     18.33982985     13.60232093    -14.34483301
  O     19.52118351     15.89888745     -9.35626670
  H     16.86973646     15.03844487    -18.52393816
  H     17.09402735     13.23260445    -15.20509824
  O     17.45226500     10.97269957    -13.43660484
  H     16.30683137     13.62216828    -18.28251239
  H     19.09691711     16.30263480    -18.26464277
  O     17.80958395     13.87461215    -15.10737606
  H     19.12116279     14.26443641    -17.96414750
  H     18.77174635     16.10035507    -19.76172009
  O     18.57097327     15.77131790    -18.88940253
  H     18.82934768     13.70543484    -16.54135331
  H     17.05793874     15.43350193    -14.84388076
  O     16.62783959     16.29063685    -14.68972804
  H     13.13894290     13.95699707    -11.67179055
  H     15.85908671     16.30809522    -15.27080711
          69
 Ord_Energy   -248.575424    
 O    3.03662944       6.77106714       5.48699427    
 H    3.23622274       7.55785799       4.96451616    
 H    3.66632652       6.09921408       5.19850540    
 O    1.73692167       1.68100417       1.11959970    
 H    2.22875357       2.30987263       1.66170168    
 H    1.18925321       1.17940080       1.73813844    
 O    4.86688042       4.93748045       4.23286247    
 H    4.94436169       5.58143282       3.50540638    
 H    5.75366354       4.68624830       4.47660875    
 O    3.33792195E-02   2.37618279     -0.884932697    
 H   0.706006527       2.13368416     -0.222482860    
 H   0.243652746       1.89050603      -1.67817616    
 O   -2.24569999E-03   5.13184357     -0.181585446    
 H  -0.405734271       4.93087387      0.677869797    
 H    2.03252994E-02   4.28583241     -0.642991245    
 O   -1.09056556       7.59486246      0.930728972    
 H  -0.824705720       6.89292860      0.324635476    
 H   -1.88143849       7.28219509       1.38904274    
 O   -1.27634346       4.40078402       2.15792346    
 H   -1.95871007       5.05836773       2.34301639    
 H   -1.68851984       3.59485316       1.81842732    
 O    4.75985527       6.77453947       2.23036218    
 H    4.42418242       7.59053087       2.62307572    
 H    4.04511642       6.44803286       1.66703379    
 O  -0.153802246      0.855041265       3.03800321    
 H  -0.644974768      0.330359995       3.68611908    
 H    7.32825920E-02   1.68066108       3.48355651    
 O   -3.65281916       4.82891369       5.82962227    
 H   -4.29297876       4.85675716       5.10794735    
 H   -3.15715694       5.65430021       5.76943111    
 O   0.952548623       7.77731180       2.74674749    
 H   0.680455565       7.22700167       3.49229455    
 H   0.215307504       7.82801008       2.12047076    
 O   -1.74279058     -0.146273047       5.04966784    
 H   -1.96663451      0.763979852       5.30266809    
 H   -2.51407218     -0.671779096       5.24733591    
 O   -2.15022230       2.58605146       5.32787704    
 H   -2.67117739       3.34215069       5.63717031    
 H   -1.27952170       2.92277265       5.08710480    
 O   -5.18552732       4.79247189       3.37967634    
 H   -4.79608011       3.91608906       3.20520544    
 H   -6.12460899       4.71060038       3.23882604    
 O    2.29297638       5.85543633       1.19890106    
 H    1.87785757       6.54090548       1.74059379    
 H    1.62534750       5.59597206      0.551116228    
 O   -2.11704373       7.17781496       5.26050663    
 H   -1.19904590       6.85830975       5.26292610    
 H   -2.12069011       8.00882149       5.72909975    
 O   -1.93441570       1.88449633       1.13642728    
 H   -1.41954470       2.00206590      0.329185158    
 H   -1.35895073       1.41369998       1.75830472    
 O    2.73492980       3.69736314       2.87815213    
 H    3.50573683       3.95035267       3.39942527    
 H    2.57028389       4.42967796       2.26468563    
 O    3.33030605       8.87247372       3.54363251    
 H    3.35073495       9.82572937       3.53112030    
 H    2.45426536       8.60618401       3.21435404    
 O   0.415097356       6.19007063       5.02851868    
 H    1.31847417       6.39235163       5.31808519    
 H   0.384074092       5.24653292       4.83379030    
 O   -3.05290723       6.46170712       2.68543839    
 H   -3.87874126       5.98242807       2.83549142    
 H   -2.76768160       6.79858971       3.54557014    
 O   0.304133564       3.49822044       4.13652849    
 H    1.21452868       3.51867366       3.80567741    
 H  -0.258974522       3.84471273       3.42214489    
 O   -3.90933394       2.43376923       3.06126785    
 H   -3.30448270       2.39972281       3.81427789    
 H   -3.40988016       2.11485577       2.30004668    
          69
 Energy    -248.57525158411275     
  O     12.75463564     12.33775462    -14.50335153
  H     12.84592082     11.48616719    -14.95790895
  H     16.55100542     10.96514892    -16.81211204
  O     15.36431538      6.66308006    -13.20901377
  H     13.60435506     12.77819248    -14.60885135
  H     14.67292116      9.39918365    -14.78749231
  O     18.12316362      9.89396477    -11.85320882
  H     16.15706162      6.74098792    -12.65864032
  H     15.45756523      8.30524610    -13.99055675
  O     17.63972533      9.65238346    -16.08118418
  H     14.61901577      6.94817142    -12.66194080
  H     10.73259988     11.83401202    -12.11208058
  O     14.86849848     10.07067772     -8.63718625
  H     18.04859490      9.84460747    -10.88781757
  H     11.91751094     11.78322748    -13.10795937
  O     13.49565655      7.80720179    -11.55849565
  H     17.43471459     10.50019003    -12.15781676
  H     17.50207278      6.66245599    -10.12583153
  O     15.98373349     11.37235705    -12.85993019
  H     16.89368262      9.45647438    -15.49001142
  H     17.86611319      5.88155861     -8.84222540
  O     16.28317709      7.70242060    -17.56081162
  H     18.42568420      9.63941455    -15.52531301
  H     12.11838985      8.18211131    -12.84430003
  O     14.53655940      7.24453006     -9.07318410
  H     14.49980040     10.31005675     -9.50439553
  H     11.40044032      9.51528875    -13.08800107
  O     16.51324210      5.72167023    -15.52931448
  H     14.46917164     10.65484346     -7.99768728
  H     19.17073982      9.58102645    -13.29019594
  O     18.97357632      6.52136596    -14.18062663
  H     13.74702615      7.45596099    -10.69163359
  H     20.53702912      9.63551712    -14.00512485
  O     15.77650278     11.50191505    -17.03299536
  H     13.66841691      8.75672932    -11.50753921
  H     17.80396320      8.06120469    -11.82659980
  O     15.52528614      9.18301614    -14.38222814
  H     15.87450960     12.11502598    -13.46492923
  H     18.25610916      6.77244401    -12.57028942
  O     11.51577422     11.33998433    -12.33769044
  H     15.82235354     10.57375572    -13.39000850
  H     16.71044628      9.75959334     -8.95568899
  O     17.32759473      6.59654174     -9.17121506
  H     16.91091534      8.34745322    -17.20694097
  H     17.60267933      8.51371340     -9.03454151
  O     11.59159666      8.66171475    -13.49651849
  H     16.30817663      6.96066479    -16.94442521
  H     13.82490929      9.16652608    -18.93903810
  O     19.63380919      9.34654618    -14.11149044
  H     14.59699368      8.16289712     -8.78108697
  H     14.84765952      8.64177708    -17.90684618
  O     17.72819381      7.09731031    -11.82594502
  H     15.44185203      6.91117644     -9.05186892
  H     13.07798615     10.90525313    -11.49082809
  O     17.59587941      9.46376398     -9.20274874
  H     16.39462957      4.77999146    -15.63329700
  H     14.62355916     10.95368138    -11.72034614
  O     14.10085745      9.25410056    -18.03074210
  H     16.00944634      5.97653817    -14.73883702
  H     15.75081658     14.07361087    -15.19410270
  O     13.92777038     10.59229166    -11.15446238
  H     18.26037489      6.30675847    -14.79340944
  H     15.54588300     12.63403494    -15.71645851
  O     15.44053631     13.20938704    -14.93742230
  H     19.23174378      7.43609981    -14.34864824
  H     12.49134445      9.23031994    -14.97899007
  O     13.09629672      9.78402428    -15.49425314
  H     15.13924532     10.89141684    -17.41768471
  H     13.20483087      9.45634974    -16.39450636
          69
 Energy    -248.57519885938601     
  O     12.76986180      4.34792417    -10.44826126
  H     13.33036626      3.98375919    -11.14335919
  H     13.72478029      9.18028153    -13.85798784
  O     14.98277396      8.84587348    -16.59080563
  H     11.98840692      4.72626404    -10.87825926
  H     17.10458905      9.00664131    -11.48529627
  O     17.98727403      7.18069946    -14.16212212
  H     14.37155017      9.20529520    -15.92581072
  H     17.35201811      7.96324201    -12.64202493
  O     17.25781750     10.72565853    -10.92244746
  H     14.68270205      9.16146677    -17.43962057
  H     15.19054509      8.13708287    -12.39742797
  O     10.87859180      8.80259388    -13.65846653
  H     18.33430302      6.41836575    -13.68415398
  H     13.79569038      8.23403180    -11.74256435
  O     16.62105878      3.75284656    -14.47284146
  H     17.22512402      6.85812658    -14.66760882
  H     10.61983491      5.70444655    -12.62169230
  O     10.90685693      6.09747649    -14.49845192
  H     17.17397435     11.14182370    -11.80161533
  H     10.54545424      6.54467797    -11.33962927
  O     16.35647997      5.64740702    -10.77821417
  H     17.93328967     11.20475995    -10.45125221
  H     19.16281815      4.45599341    -12.08394188
  O     14.40189680     11.03438999    -10.69169395
  H     11.65206796      9.21795242    -14.05750552
  H     17.76714865      5.05990189    -11.82481802
  O     16.83304437     11.73011797    -13.36505038
  H     10.80778583      7.92253634    -14.05152852
  H     13.74358682      6.62316911    -13.43349360
  O     13.98254883     12.13373179    -13.14358320
  H     16.41709001      4.50092327    -15.04675585
  H     13.87401085      5.07739408    -13.42122500
  O     13.41161145      9.79459690    -14.54123647
  H     17.34740062      4.04534678    -13.90802183
  H     16.60003302      9.49530918    -15.77282803
  O     16.88026507      8.12767608    -11.81406441
  H     11.86126548      5.94473793    -14.38327728
  H     17.76391366      8.93541023    -14.93669216
  O     14.24451251      8.07782905    -12.58319098
  H     10.62357789      5.54622122    -15.22290929
  H     15.52690472      7.10489640    -16.07869983
  O     10.64656478      5.64075122    -11.66019191
  H     15.70376363      5.74984019    -10.07559216
  H     14.96310250      6.09084701    -15.06969604
  O     18.42508501      4.88097349    -12.51535116
  H     16.54860085      6.54684233    -11.08682255
  H      9.75855786      8.87019404    -10.69685982
  O     13.55138339      5.82245312    -13.94553247
  H     15.35507663     10.90758292    -10.61254505
  H     10.65375609      8.64017411    -11.93784475
  O     17.35220946      9.75714230    -15.22915744
  H     13.98593148     10.22437545    -10.37041837
  H     15.36392882      3.64697641    -13.13346013
  O     15.75274001      6.30601283    -15.58653202
  H     17.04096270     11.09046373    -14.06287106
  H     15.31481688      4.47821397    -11.83166028
  O     10.55617416      8.43717532    -10.98976395
  H     15.89630907     11.94145456    -13.44255042
  H     14.14116303      5.86259631     -8.07619576
  O     14.78665708      3.89909645    -12.39847137
  H     13.58872700     12.99642217    -13.04500830
  H     13.61709767      5.45322411     -9.47472363
  O     14.16752710      6.10369426     -8.99848276
  H     14.06886015     11.76137529    -12.24699020
  H     13.47754731      7.73670871     -9.63548453
  O     13.18881486      8.54625976    -10.07533094
  H     13.55118445     10.67979300    -14.18007307
  H     12.24130215      8.47957574    -10.25870960
          69
 Energy    -248.57502034517188     
  O     14.62751567     10.73712797    -16.15029492
  H     14.87630428     10.43891254    -17.03322856
  H     17.19744116      3.96083906    -15.75518878
  O     14.82040704      5.67983815    -16.03355041
  H     13.73480737     10.39631545    -16.00948387
  H     19.67148539      7.29135282    -14.01678392
  O     17.44553446      8.56838226    -12.12519965
  H     15.32945740      4.93220540    -16.36747560
  H     19.96991804      6.43055685    -15.26393324
  O     20.83477867      6.54585296    -16.88051005
  H     15.49133789      6.32827914    -15.76441021
  H     19.01845734      9.12033486    -16.92252763
  O     18.55223218      5.77499029    -18.08639833
  H     18.30135575      8.79056864    -12.50845029
  H     20.32522518      8.40093932    -16.60048382
  O     13.11427425      8.62703793    -10.41040786
  H     16.79003473      9.01805628    -12.68122618
  H     17.65180677      7.09006373    -14.95582195
  O     14.04722447      5.82212601    -13.35666468
  H     20.06421708      6.21909962    -17.38099161
  H     16.48750443      8.14026547    -14.78233391
  O     15.61105899      9.49248555    -13.92005907
  H     21.60784613      6.15624360    -17.27806604
  H     12.43457479      9.00258065    -14.70162326
  O     17.79457430      4.27273573    -14.14133718
  H     17.93799529      5.16103004    -17.66798864
  H     11.26324518      9.57846421    -15.52750532
  O     13.20120215      5.75055969    -10.63458156
  H     18.10873502      6.63275089    -18.14740789
  H     14.75220694      5.52768044     -9.82984272
  O     19.79837372      9.13384068    -13.63167645
  H     12.68781106      9.18433282     -9.76526006
  H     15.73781330      4.89031481     -8.81839733
  O     16.87615613      3.87212006    -16.67100687
  H     14.06390797      8.62066024    -10.19269108
  H     13.83175673      6.87539373    -17.06774101
  O     19.43684231      6.46662497    -14.45774718
  H     14.16756518      5.63003814    -14.29530359
  H     12.92347395      8.11524781    -16.87208432
  O     19.80898830      9.18385716    -16.37080540
  H     14.93384974      5.83581286    -12.96559934
  H     16.37066397      5.65912136    -11.22828481
  O     16.82341765      7.41558766    -15.32595896
  H     15.40815043     10.04882788    -14.68619770
  H     16.93085412      6.75019860    -12.17878171
  O     12.17826328      9.31506343    -15.58518578
  H     14.76510958      9.14959361    -13.60362762
  H     16.42404064      8.54222333    -10.53014865
  O     15.67088451      5.54668478     -9.50600084
  H     17.27655575      4.63930098    -13.41445262
  H     15.84372249      7.46261464     -9.59046310
  O     13.43219398      7.62444375    -17.52911717
  H     18.52252384      4.90298593    -14.24030871
  H     14.47791511      8.75252685    -18.34273300
  O     16.55232413      5.86153827    -12.15461943
  H     13.31839667      5.62244413    -11.58529174
  H     14.74175719      9.69609192    -19.54112832
  O     15.75865021      8.38967056     -9.84686603
  H     13.00172656      6.68772158    -10.51609143
  H     13.40313531      7.47942492    -13.27702928
  O     15.07229586      9.44622666    -18.68271229
  H     19.75028094      9.25488871    -14.59709100
  H     13.03664467      8.58045975    -12.23898599
  O     13.13863723      8.40723998    -13.18303558
  H     20.53498254      9.66058876    -13.33197544
  H     17.21577324      8.05916569    -16.93492367
  O     17.50245573      8.37673795    -17.80554380
  H     16.93165103      2.94583002    -16.89074071
  H     16.73195089      8.78960554    -18.21205134
          69
 Energy    -248.57465419305302     
  O     -2.78195722      1.03083902      3.86182839
  H     -2.83228283      1.01451177      4.82770521
  H     -4.79019086     -1.94745657      4.88900157
  O     -1.78461300      3.59922990      7.02712657
  H     -2.80366359      0.11750168      3.54716647
  H     -1.78661824     -3.85078809      7.38816973
  O      0.98066089     -1.79441492      1.04162840
  H     -1.66616087      3.94947114      6.12594097
  H     -1.47918877     -3.01934366      6.12291741
  O      2.17756177      0.47949234      2.18489543
  H     -2.08126017      4.32575371      7.56853183
  H      0.14143010     -0.64972246      6.83753977
  O     -1.55085574     -0.51048951      0.60023508
  H      1.54331114     -1.08576376      1.37912820
  H     -0.98506141     -1.35081271      7.60734074
  O     -2.56500101     -1.56579052      2.92688924
  H      0.15212943     -1.36799195      0.79409925
  H     -0.14370833      2.68257856      7.34831714
  O     -2.85991696      3.28846555      2.36746203
  H      2.24944739      1.30860365      1.69843078
  H      0.30938676      1.24505244      7.66168302
  O     -1.37823435      4.47656101      4.50870350
  H      1.37586286      0.57583526      2.72097592
  H     -3.87269737     -0.53808986      6.59920054
  O      1.17568434      3.64818215      3.83094921
  H     -2.07295962     -0.82788914     -0.13367027
  H     -3.48209999     -2.02094149      6.72815958
  O      1.76048176      3.07229105      1.12927776
  H     -1.93209598     -0.90957973      1.40015229
  H     -0.94402828      1.10264391      3.81355326
  O     -0.65718621     -2.84691170      4.54734055
  H     -1.91040305     -2.02119659      3.47243768
  H      0.31945927      2.00148231      3.92661792
  O     -4.97586285     -2.23921562      3.97950540
  H     -3.44168636     -1.88223910      3.19310056
  H      0.75131870     -3.30808876      1.91977447
  O     -1.87377986     -2.97895550      7.01112204
  H     -2.92878039      2.47148922      2.89326826
  H      1.17344678     -4.76515099      2.17517693
  O     -0.52562205     -0.50704991      7.52820826
  H     -3.74630073      3.52029620      2.10181458
  H      2.05280970      2.43892164      6.46356356
  O      0.63833680      2.12622918      7.44959879
  H     -1.90569587      4.19757756      3.75185016
  H      3.45404071      3.08788422      6.42661603
  O     -4.20734216     -1.43478293      6.47603622
  H     -0.45371961      4.33003281      4.26247671
  H      3.26999228      0.21979490      3.74334821
  O      0.01728602      1.08635036      3.87001760
  H      1.51425383      3.54013155      2.93289384
  H      3.39195304      0.99435986      5.06947632
  O      0.55679384     -4.09553738      2.45731298
  H      1.86131000      3.38773679      4.46057979
  H     -1.49211625      2.68212471      1.19692048
  O      2.80344063      2.65303916      5.88074015
  H      2.07271439      3.57102510      0.37966310
  H     -1.01367291      1.31893549      0.65258398
  O      3.55138729      0.13264518      4.66429662
  H      0.84648542      2.79870834      0.92543350
  H     -1.95480610      0.47914778      6.93052026
  O     -0.78505811      2.25555565      0.69790463
  H     -0.26422874     -3.40719868      3.86174211
  H     -2.52957960      1.91104368      6.82561150
  O     -2.71803053      0.98694651      6.61955672
  H      0.02612013     -2.21411677      4.81305397
  H      0.66272067     -0.17435382      4.89795351
  O      1.10424178     -0.89358314      5.37733585
  H     -5.82129102     -2.67743565      4.00854656
  H      2.04927403     -0.74272675      5.25056804
          69
 Energy    -248.57436908091267     
  O     16.19543246      9.71407303    -16.84702687
  H     16.93273941     10.31716598    -16.68577890
  H     19.69663523      8.32575865    -16.87845805
  O     14.86837677      5.27822635    -12.78196350
  H     15.38613738     10.14237874    -16.54420327
  H     16.66418814      6.91955090    -15.08939468
  O     17.23137020     13.01933793    -11.33271421
  H     14.64720746      6.21536910    -12.73155830
  H     16.61770628      8.40751664    -15.59205346
  O     19.35559825      7.74557055    -13.78654080
  H     15.54847640      5.13648614    -12.11082592
  H     13.20637689     11.42584618    -15.98485966
  O     14.29327267      5.90589738    -17.09284636
  H     16.31201628     12.86828565    -11.08213837
  H     14.04508249     10.86865825    -14.81047127
  O     16.15623327     10.21287308     -9.26990773
  H     17.34947073     12.56037718    -12.17605064
  H     15.91970897      7.97587702    -11.49717428
  O     14.82574631      8.15413117    -12.98619361
  H     18.47066994      7.81724930    -14.18070378
  H     16.82868622      6.95337668    -10.77207973
  O     17.43076381     11.23032361    -13.50627170
  H     19.34534122      8.32719562    -13.01647602
  H     13.65499833      7.83815835    -14.56830201
  O     18.51522794      5.08163390    -13.41421455
  H     13.89556418      6.59983915    -16.53923157
  H     13.34557526      8.82348922    -15.69311616
  O     16.24361774      5.15292246    -15.18550493
  H     13.57076879      5.41719699    -17.47871990
  H     18.25700232     12.10328936    -10.22659957
  O     17.16766181      5.16869172    -11.06856955
  H     17.04680654     10.58375137     -9.23727042
  H     19.35444411     11.92038281     -9.14916574
  O     19.94432211      8.99682424    -16.22521878
  H     16.24885673      9.33441138     -9.66159535
  H     18.87536582     10.10808527    -10.99665599
  O     16.79799334      7.84282441    -14.83098253
  H     15.55763977      8.03384392    -13.61633253
  H     17.99240943      8.89585399    -11.38386711
  O     13.78980983     10.71355050    -15.73533131
  H     14.65682723      9.10429514    -12.94620134
  H     13.96610388     12.38472719    -10.01110939
  O     16.58618763      7.88796240    -10.80346546
  H     17.91176504     10.58319659    -12.97170753
  H     15.10998717     11.34479876    -10.07869918
  O     13.31006506      7.88679334    -15.46651355
  H     17.83148629     11.25450744    -14.38333740
  H     19.31068119      6.12922628    -18.15957610
  O     18.71932848     11.44502935     -9.67745203
  H     18.96881067      5.92328587    -13.55990815
  H     18.11729648      7.09724439    -18.16417386
  O     18.68869806      9.48518876    -11.70907181
  H     17.88824230      4.97524705    -14.14029285
  H     14.55072071     11.33888832    -12.30409494
  O     14.62059670     12.01112397    -10.59486760
  H     15.70870690      5.07939050    -14.37871690
  H     15.67469575     11.02921697    -13.33171126
  O     19.06057961      7.02445424    -17.94638388
  H     15.62228924      5.23373317    -15.91887644
  H     19.04377087     10.42614803    -16.17457963
  O     14.72403551     10.93165592    -13.16177132
  H     17.45037757      4.46346309    -10.49299634
  H     18.90376591     11.91639219    -16.57333251
  O     18.45979485     11.20674616    -16.11781968
  H     17.70634843      5.10498564    -11.87828103
  H     15.64940293      6.84454370    -18.05652674
  O     16.36874410      7.38695674    -18.39887247
  H     19.95595884      8.54542611    -15.37192151
  H     16.25306040      8.26173321    -18.00305498
          69
 Energy    -248.57429904987225     
  O     14.51551011      9.19763761    -10.41586076
  H     14.45489612     10.01856712    -10.92258251
  H     15.46474759      4.93577879    -15.25552545
  O     13.63240662     11.47840974    -15.83293270
  H     15.24822296      9.26493290     -9.79053024
  H     17.40191408      3.68527807    -11.23758245
  O     17.05046947     10.69414314    -13.10580839
  H     13.74893573     12.23556441    -15.24537180
  H     15.97726993      4.14787342    -11.55703973
  O     12.88992625      5.24754424    -13.31853338
  H     13.18837032     10.80348525    -15.30451977
  H     12.12606686      7.20967381    -10.93982729
  O     17.05903475      6.33980204     -9.52734534
  H     17.56829614     10.44692096    -12.32655959
  H     13.25372844      7.85860073    -10.13044908
  O     16.85315100     12.85293194    -14.86826079
  H     16.13154670     10.79396346    -12.82615571
  H     19.63871537      6.94723839    -15.23419299
  O     15.59845967      7.52427272    -12.37414007
  H     13.46166417      5.06779832    -12.56462708
  H     18.31013333      7.69939562    -15.00660372
  O     14.35520365     11.12542192    -12.38111256
  H     13.43201475      5.13523472    -14.10876943
  H     15.29446006     13.38094912    -14.25259409
  O     18.27428871      7.11837933    -11.94915017
  H     16.24462255      5.93066556     -9.83920024
  H     14.23706566     14.42396429    -13.81455737
  O     18.38551902      9.73296617    -10.92257559
  H     17.61287202      6.46908287    -10.31123553
  H     12.21105164      8.87014113    -13.54257573
  O     16.99133862      4.71745895    -14.55607561
  H     16.72007728     12.36200436    -15.68748781
  H     13.47047817      8.89698767    -14.43578450
  O     14.58178445      5.15121502    -15.61043070
  H     17.10311203     12.18796866    -14.20994475
  H     16.00090681     11.22826671    -17.92742269
  O     16.76501154      3.74223253    -11.94782567
  H     15.19104533      8.15618009    -11.76597299
  H     15.16824814     11.15072433    -16.62783078
  O     12.70055374      7.06596247    -10.17897753
  H     15.23168900      7.65012488    -13.25622324
  H     10.42324981      7.17721958    -12.81889689
  O     18.82873800      6.92605042    -14.73010322
  H     13.77800986     10.55886597    -12.91546422
  H     11.85618393      6.62708967    -12.99763190
  O     14.38348991     13.48871834    -13.92451717
  H     14.29881358     12.01120716    -12.75857534
  H     15.05630288      6.04897912    -11.56637887
  O     12.81746160      9.46585868    -13.99806051
  H     17.33271293      7.28625194    -12.12327237
  H     13.93792573      5.77555255    -10.54774607
  O     16.06492747     11.04565468    -16.99375547
  H     18.66917962      6.98249946    -12.81618819
  H     15.63116753      8.22268012    -15.24813986
  O     11.34402207      7.41087295    -12.72901092
  H     18.52880845      8.83686239    -11.25789406
  H     14.70296716      6.95551407    -15.34260502
  O     14.68632525      5.35427652    -10.99599585
  H     17.90242687      9.61914120    -10.09634781
  H     16.85724479      7.99706485     -8.90409512
  O     14.76513330      7.86248027    -15.01709125
  H     16.99938053      4.35280131    -13.65977679
  H     16.85359199      9.04679483     -7.76853175
  O     16.73144208      8.94210260     -8.70845857
  H     17.66477451      5.40464706    -14.59731679
  H     16.94550919      9.72095192    -16.03328350
  O     17.23526264      9.10944591    -15.34395375
  H     14.44526208      4.59698288    -16.37336038
  H     17.22155104      9.61319754    -14.51415406
          69
 Energy    -248.57403289745633     
  O     13.51983552     13.56771166    -12.31004632
  H     13.35847771     12.68047731    -11.94330620
  H     20.27136522      7.46246927    -13.14949220
  O     19.29504542      7.94548257    -10.02789130
  H     12.71644224     14.06710749    -12.18770425
  H     18.24854129     11.60449794    -16.19223760
  O     17.28463415     11.41646545    -11.62060408
  H     19.02890684      7.08378004    -10.37398212
  H     18.95920695     11.66739282    -14.82486989
  O     12.33807412      8.73085223    -13.03452491
  H     18.47837348      8.41970712     -9.83165523
  H     12.93192648      8.44732024    -14.64418405
  O     16.11159951      7.07802036    -11.58567354
  H     16.61690597     11.05343118    -12.22720617
  H     12.73198738      7.69181142    -15.97778904
  O     13.40669133      7.33610417    -10.88165167
  H     17.07600730     12.35395969    -11.54330888
  H     15.45594938      9.58186938    -13.61134128
  O     18.49079235      5.61288918    -11.49020442
  H     12.63392118      8.11290414    -12.34893682
  H     15.11576110     11.08145569    -13.94694092
  O     14.43417244     12.53904596    -14.88831765
  H     12.38411224      9.59358913    -12.61157118
  H     14.51939473     11.23829541    -16.19483438
  O     18.20090130      8.59617511    -15.19597669
  H     15.98197702      7.29806626    -12.52047180
  H     14.20433878      9.72983854    -16.34879853
  O     16.72349088      9.24160617     -9.95976891
  H     16.85563630      6.46647834    -11.53619846
  H     14.00707422      9.62787143     -8.21770906
  O     17.39607951     10.25404133    -17.28946350
  H     14.31531295      7.08482718    -11.09754375
  H     15.05345805      9.49393783     -9.34540909
  O     19.71535720      6.80878387    -13.59226047
  H     13.49294458      8.01484984    -10.20327948
  H     21.86273070      8.91378637    -11.64724424
  O     18.62052355     12.21474669    -15.54487416
  H     18.72062564      4.68949507    -11.43717638
  H     20.41576530      8.56254772    -11.22259723
  O     13.33622924      8.26354100    -15.51182608
  H     18.91814657      5.96587184    -12.29162277
  H     17.44283258     13.44728673    -15.00110970
  O     15.35221677     10.46584802    -13.24120894
  H     15.23535770     13.08579086    -14.95682369
  H     16.77250196     14.08279249    -13.75113467
  O     14.75774235     10.44232016    -16.68944503
  H     13.92597716     12.91576614    -14.16433797
  H     16.35745234     14.87541458    -11.32672876
  O     14.10405900      9.60052035     -9.16613929
  H     18.00770997      9.07606731    -16.01133161
  H     15.31158401     13.93484195    -11.95945203
  O     20.97253723      8.82682605    -11.97679854
  H     18.51930958      9.25420769    -14.55936394
  H     19.90347449      9.99802707    -12.91992969
  O     16.70111310     13.99884831    -14.70673800
  H     16.97515931     10.02116413    -10.47470554
  H     18.61263971     10.84047013    -12.73056646
  O     16.26101379     14.05141215    -11.79918695
  H     16.51511246      8.52268641    -10.57799486
  H     14.02204557     10.71236933    -12.07199845
  O     19.21032266     10.47215203    -13.39527983
  H     17.50055982     10.29988156    -18.23609547
  H     13.47403431     10.58555794    -10.62880323
  O     13.30159673     10.99470280    -11.48536893
  H     16.44187963     10.32607540    -17.10924798
  H     16.58051822      8.04619107    -14.65182666
  O     15.76052401      7.86455026    -14.17068627
  H     19.22301573      7.29100646    -14.26857295
  H     15.01207249      7.85685926    -14.77887394
          69
 Energy    -248.57384653224295     
  O     -6.08003097      1.01930621      0.73520158
  H     -5.45050001      1.60929439      0.29281086
  H      1.35945013      2.29073716      1.07348691
  O     -5.86797457      0.79087902     -4.10774213
  H     -6.02927852      1.25140410      1.67022702
  H     -0.00464810      3.82567694     -0.08605169
  O     -5.37031859      1.73809610      3.37165386
  H     -6.53718758      0.89305327     -4.77872512
  H     -1.41877329      4.37193438     -0.35234622
  O      0.11654515     -1.26617517      1.61285803
  H     -6.33440845      0.59664267     -3.27420562
  H     -3.39130718      2.06416179      0.05376383
  O     -2.19525587     -1.54014759      0.03273559
  H     -5.87956240      1.99480052      4.13605500
  H     -4.01892249      2.36774106     -1.33084749
  O     -4.33541511     -1.61674861     -3.49695557
  H     -4.69412738      2.42722215      3.24428292
  H      0.70575138      1.06201092     -0.91294450
  O     -4.87575866     -1.52069005      0.77253011
  H     -0.26285010     -1.07414502      2.47905568
  H     -0.11569302      2.29090550     -1.41425299
  O     -2.03562562     -0.31144825     -2.49637110
  H     -0.62417060     -1.53246682      1.05142020
  H     -5.34905162     -2.33250333     -2.26296954
  O     -3.59755098      1.92845536     -2.97805888
  H     -2.16932881     -1.23047185     -0.88363611
  H     -6.31415789     -3.45933526     -1.82351347
  O      1.80554776      0.51888004      0.46410282
  H     -3.12517878     -1.63725117      0.27790222
  H     -1.39014432      1.78101539      2.15991241
  O     -1.20856936     -0.56166573      4.04614389
  H     -4.79155408     -0.84488366     -3.85297987
  H     -0.99396372      1.27210942      3.55219963
  O      0.91544154      3.11960004      1.29044688
  H     -3.45199470     -1.31627070     -3.24661547
  H     -4.17242478     -1.12280603      2.50737327
  O     -0.63477086      4.02476351     -0.79652564
  H     -5.28770232     -0.64517380      0.74719156
  H     -4.33139385      0.14587998      3.36780987
  O     -4.10999478      2.54744127     -0.38474782
  H     -5.27899514     -2.02494990      0.05485688
  H     -2.11500363      0.22140352      0.58090306
  O     -0.01845855      1.33349231     -1.49400972
  H     -2.63543989      0.43280918     -2.65659135
  H     -1.30510212      1.34088368     -0.09004912
  O     -5.97538418     -2.60552155     -1.56866493
  H     -1.19264490      0.11111756     -2.28498423
  H     -3.52944853      5.67746384      0.18803105
  O     -1.06231266      2.07636149      3.02559353
  H     -3.08226455      2.67987757     -3.30234001
  H     -3.54534223      4.13099722      0.12205886
  O     -3.80573058     -0.65747796      3.26852035
  H     -4.35284611      1.74135240     -3.54773741
  H     -6.82958302     -0.88188945     -1.66944709
  O     -1.97220402      1.17622374      0.58785090
  H      1.22811651     -0.13166367      0.90288191
  H     -6.87405959      0.44674034     -0.89264117
  O     -3.05229099      4.89807668      0.46290807
  H      2.67761369      0.13500732      0.43603780
  H     -3.27599314      4.14951029      2.25702575
  O     -7.03752305      0.05651351     -1.76042602
  H     -2.14477106     -0.63408356      3.78566155
  H     -2.55692905      3.13689862      3.16720361
  O     -3.40497028      3.58063796      3.02310704
  H     -1.12457287     -1.00366314      4.88665983
  H     -1.27741496      4.43567750     -3.99287969
  O     -1.85889932      4.05045545     -3.34117785
  H      0.32613462      2.90213742      2.02502028
  H     -1.38485727      4.11042490     -2.49785363
          69
 Energy    -248.57330183763844     
  O     17.09722254     11.14740078    -17.63919168
  H     17.50171118     10.55179912    -18.28413482
  H     18.17024996      7.53116076    -11.82419521
  O     16.02799617      5.77031578    -13.24662736
  H     16.19344271     11.32283898    -17.93215423
  H     20.73225772      9.10880131    -15.81347959
  O     16.32175377     13.37869414    -12.52791742
  H     16.87631154      6.00911008    -12.82635486
  H     21.89412990      9.75068419    -15.01719604
  O     16.20328233      7.32832498    -18.48007644
  H     15.76301931      4.93238371    -12.87702793
  H     17.03715725      9.73621849    -16.41409494
  O     14.14181444     10.70498859    -11.24198890
  H     16.68999414     13.22561067    -13.40644284
  H     17.62021866      9.48580117    -15.00552661
  O     14.97236959      8.32147051    -12.54477834
  H     15.36217209     13.35755963    -12.63106600
  H     14.25285809     11.92743149    -17.09895806
  O     17.17421603     12.43188917    -15.09979373
  H     15.37408707      7.80690195    -18.32887639
  H     13.87293271     12.37391130    -18.52919516
  O     20.40539358      6.78051721    -13.92554446
  H     16.36458690      6.81844748    -17.67822056
  H     17.30075922     10.07449957    -11.13956800
  O     14.37309612      9.33849337    -15.02318701
  H     14.30435928      9.81769093    -11.58634650
  H     16.60712942      8.97949134    -11.99044945
  O     19.51702481      5.75906122    -16.45801606
  H     14.96267164     10.98140906    -10.81548481
  H     14.01201758      9.78502614    -18.04945654
  O     16.92496576      6.38393553    -15.87204156
  H     15.20954953      7.40082723    -12.70729080
  H     13.93529007      8.84901205    -16.84473883
  O     18.30916672      6.62739921    -12.13171695
  H     14.65330775      8.66710993    -13.39198217
  H     17.01092683     12.16502546     -9.66344564
  O     21.00851056      9.40881056    -14.92827878
  H     17.72822339     11.80646627    -14.60719058
  H     16.66308472     12.31849755    -11.16350710
  O     17.03648450      9.11211331    -15.67769589
  H     17.28469678     12.18963587    -16.02810958
  H     19.52621062     10.12362667    -14.13504689
  O     14.35115376     11.70823558    -18.04127742
  H     20.69911239      7.66518007    -14.17148219
  H     18.36907737     10.02378608    -13.06447796
  O     17.46977823      9.29471137    -11.68285369
  H     20.18997119      6.33918259    -14.75594069
  H     12.75306361     13.28974247    -12.41678353
  O     13.98122581      8.85211995    -17.80926828
  H     15.30813856      9.19987551    -15.24315481
  H     13.65186518     12.04203777    -12.24375239
  O     16.71437322     11.68099420    -10.42934407
  H     14.23972935     10.29351352    -15.06422915
  H     20.00880019      7.45204697    -17.10758361
  O     18.65416641     10.45339610    -13.88267118
  H     19.58620766      4.89340161    -16.85168562
  H     19.53191458      8.65790689    -17.94491076
  O     13.50223673     12.83436506    -12.79089651
  H     18.57649458      5.90280288    -16.25613017
  H     13.97169069     12.44082746    -14.51174410
  O     20.18807255      8.38296097    -17.29521076
  H     17.00896219      7.34945556    -15.81238992
  H     15.35238482     12.24701363    -15.20010491
  O     14.39740782     12.14001576    -15.32442134
  H     16.54177249      6.09182836    -15.03690856
  H     18.32876643      8.97069259    -20.11912695
  O     18.13872408      9.06962835    -19.19004412
  H     19.08938817      6.64623854    -12.70528921
  H     17.45032995      8.41403919    -18.97284907
          69
 Energy    -248.57317094941814     
  O     18.57031557     10.76850097     -7.82987621
  H     18.59629148     11.56275540     -7.30320676
  H     18.13130236      9.08227127     -7.04044389
  O     17.23698996      5.63751117     -9.67137059
  H     19.41152812     10.72903570     -8.32089476
  H     17.56887021     10.37024754     -9.32306141
  O     18.45524146      4.49346843    -13.05654113
  H     16.78688673      5.25798643    -10.43483804
  H     16.32211901      9.72284191    -10.01814000
  O     19.04123599      7.20695155    -13.35364921
  H     17.79520062      6.35857432     -9.99914487
  H     21.05465729      9.58497815     -9.19949736
  O     22.51655060      6.49058241    -11.10208245
  H     18.49120904      3.74796021    -13.65110161
  H     20.87179677     10.71483048    -10.23462811
  O     15.95748619      4.77730108    -11.99382905
  H     17.55285498      4.51523027    -12.69433618
  H     17.38586001      9.65163566    -13.63867292
  O     21.52998376      8.38077212    -12.96767199
  H     18.30278981      7.69959843    -13.73391533
  H     16.66610574      9.26241351    -14.95355147
  O     20.14081139      6.48635624     -6.83148547
  H     18.82401318      6.26588895    -13.36420420
  H     19.90702493      4.40881061    -11.70702190
  O     13.80728408      5.01352375     -7.93039949
  H     22.08413230      6.92993121    -10.34939818
  H     21.23120245      5.03107814    -11.19915424
  O     21.05741009      7.73661487     -9.15368795
  H     23.40205093      6.27261248    -10.82170440
  H     15.04311286      8.15451376     -9.14589046
  O     18.73855790      7.75539171    -10.62329526
  H     15.22551247      4.34583353    -11.53163379
  H     13.86454636      9.01080051     -9.66285132
  O     17.84235693      8.21939249     -6.72120497
  H     15.68268852      5.68914990    -12.18495774
  H     15.80800721      7.97816413    -12.93382239
  O     17.21054041     10.06966940    -10.16809177
  H     21.97690200      7.73663638    -12.40559411
  H     15.11143001      7.89779972    -11.54919370
  O     20.82032099     10.51873935     -9.29135398
  H     20.70055312      7.96164174    -13.23675198
  H     21.20971226      9.99247479    -12.42890465
  O     16.95772821      8.91635302    -14.11464355
  H     19.90746570      5.71196355     -7.37757740
  H     21.57196560     11.49127225    -12.53341626
  O     20.58824773      4.33271710    -11.03018887
  H     20.54390086      6.14982034     -6.03607197
  H     16.35860902      7.48966455     -7.39527789
  O     14.76717658      8.76561528     -9.85000632
  H     13.81848335      4.57078580     -7.08448693
  H     16.21387823      6.46835359     -8.54555816
  O     15.30810878      7.39691619    -12.34848572
  H     14.42292018      5.75762553     -7.84226824
  H     17.79177484     10.68895094    -11.76969590
  O     20.96802778     10.88269950    -12.11547942
  H     20.85031795      7.34114237     -8.29823351
  H     19.12362122     10.89847344    -12.51997922
  O     15.70367359      7.03803826     -7.94643271
  H     20.23577951      7.72643979     -9.67160747
  H     19.96405900      4.33302518     -9.29820473
  O     18.17150197     10.81781690    -12.65078929
  H     18.86488612      7.61548857    -11.57054866
  H     18.58573352      4.74515700     -8.78502408
  O     19.46538103      4.48172145     -8.48244156
  H     18.23007931      8.56754035    -10.50373769
  H     13.85231337      4.22163635     -9.56877316
  O     13.89072773      3.81458508    -10.44843488
  H     18.62224067      7.65098826     -6.72022507
  H     13.01325643      3.48047983    -10.61811792
          69
 Energy    -248.57310112572117     
  O      9.97792173      8.52365970    -12.42704954
  H     10.74920275      8.94218786    -12.83623605
  H     18.33572381      6.44472164    -14.67668382
  O     14.54243272      6.14603290    -13.96279478
  H      9.87072859      7.67698001    -12.87683490
  H     14.54579947     10.60467757    -15.50855698
  O     16.44056118     11.07218606    -12.98538222
  H     13.67393902      6.37992236    -14.31952298
  H     14.93503457     11.19196891    -14.12962638
  O     15.16603796      9.69783801    -17.15415738
  H     15.04525930      6.97178439    -13.88559507
  H     16.04390283      9.25434067    -13.35774097
  O     12.18583069      7.05114926    -15.04717327
  H     16.72484029     11.03930370    -12.06324449
  H     16.57189429      8.56041472    -14.61835860
  O     16.06062841      8.51269077     -9.87826510
  H     17.25366178     11.14435146    -13.50386359
  H     10.39782549      8.23595214     -9.24853898
  O     14.26570292      5.51225463    -11.32933661
  H     14.90380523     10.15614731    -17.94870885
  H     10.50040829      8.18373318    -10.79312349
  O     14.04828294      7.23656827    -17.15633585
  H     14.73596972      8.82479040    -17.18291459
  H     18.93096784      9.74036062    -11.48660845
  O     16.96111325      5.84966495    -10.51788791
  H     12.27173774      7.88382019    -14.55613244
  H     19.41757805      9.82890489    -12.93643382
  O     17.65925187      9.13324479    -16.06205609
  H     11.43719246      6.57906440    -14.66285814
  H     11.24705993      6.11817866    -10.63929114
  O     15.77287251      5.10059895    -16.16272852
  H     15.15491474      8.51926963    -10.21606854
  H     12.40805373      5.24922887    -11.16664631
  O     18.19707470      6.50282194    -15.62958783
  H     16.38817239      7.61393810     -9.99360108
  H     18.50587304     10.29225734    -15.08382112
  O     14.18478682     11.00474864    -14.70922605
  H     14.37337732      5.60421498    -12.28899424
  H     19.42289001     11.52755426    -14.91843980
  O     16.09013868      8.39707109    -13.79696246
  H     15.15549071      5.49580281    -10.95799426
  H     17.39244895      7.38588107    -13.04825595
  O     10.93001572      7.90203612     -9.96492208
  H     13.30669561      7.15295458    -16.54086161
  H     18.79435977      7.63447637    -12.48628540
  O     19.47459278      9.28453458    -12.14153795
  H     14.63284226      6.49020177    -16.98433760
  H     17.03723608      9.87943019    -10.18271285
  O     11.44833524      5.35562422    -11.19616199
  H     17.56334139      5.32302520     -9.99831339
  H     17.70955497     11.17527708     -9.66860984
  O     18.86810066     10.92135561    -14.43502133
  H     17.45436880      6.14642519    -11.30160378
  H     12.68237645      8.20996428    -10.53202715
  O     18.18105559      6.92393514    -12.72791713
  H     16.86105395      9.28963013    -16.58313104
  H     13.75803704      7.28564587    -11.14488218
  O     17.57955308     10.64435108    -10.44931034
  H     17.90655982      8.19607615    -16.09475031
  H     13.02832849      9.93622834    -13.86776444
  O     13.52131700      8.21444661    -11.01125833
  H     15.34559993      5.35016485    -15.32534024
  H     12.94998532      8.97374929    -12.63513709
  O     12.48932789      9.25908034    -13.43500114
  H     15.61888100      4.16678722    -16.28423879
  H     10.61343327      5.60302952    -12.71735423
  O     10.15107132      5.85671828    -13.53630045
  H     17.44496914      5.93581819    -15.84187418
  H      9.45329744      5.22032274    -13.66645742
          69
 Energy    -248.57309627290311     
  O     14.01527832      9.23529076    -10.61568091
  H     13.58195844      9.67969363    -11.35551337
  H     16.67826403      4.35564444    -16.23396293
  O     12.97454298      9.78072989    -16.50611906
  H     13.53114313      8.42299601    -10.40154324
  H     16.30893538      6.03442097    -11.66296770
  O     15.95200106     11.12338332    -13.33918578
  H     12.64286449     10.57857013    -16.07542414
  H     16.26983614      5.07816930    -10.47132754
  O     14.62921893      4.23736692    -13.28097701
  H     12.80043124      9.05922130    -15.88903584
  H     12.87525393      6.29733008    -10.97301069
  O     17.54286095      7.79939484     -8.73046948
  H     15.05757587     10.80865104    -13.15087606
  H     13.86366677      6.30789099     -9.76919567
  O     15.05741347     12.64096729    -15.53276478
  H     16.38865822     11.30921023    -12.49966825
  H     18.98266025      8.25109449    -12.90665328
  O     15.90484580      7.72156435    -12.07036422
  H     15.27601858      4.39832458    -12.58031117
  H     18.52691602      8.45154107    -14.36548957
  O     13.25248288     10.31459746    -13.02653609
  H     15.12130719      4.31038262    -14.10672376
  H     13.34324747     12.45270987    -15.20149044
  O     18.24356247      8.83077417    -11.20763397
  H     17.86508202      8.10153264     -9.59606837
  H     11.87313944     12.92692182    -15.08813747
  O     17.33547563     11.50824978    -10.91780814
  H     18.31071099      7.74139324     -8.16604266
  H     12.55026819      7.18228001    -13.80705782
  O     18.30615087      5.18051666    -13.63877886
  H     15.28752395     12.03614073    -16.24896803
  H     13.77297155      7.70175013    -14.59158164
  O     16.37862380      4.82965479    -15.46413069
  H     15.47460538     12.27142098    -14.74191269
  H     15.53330895     10.42176193    -18.28700260
  O     16.51865397      5.12366907    -11.39990833
  H     15.69444894      7.62720006    -13.00825961
  H     14.60746877     10.13774048    -17.08227989
  O     13.08191768      6.73501141    -10.13764583
  H     15.20640577      8.22014506    -11.62925753
  H     11.64499412      5.06142222    -12.74396861
  O     19.03209080      7.86510906    -13.78932439
  H     13.07194849      9.47297069    -13.47138281
  H     13.17729150      5.11497173    -12.94175103
  O     12.43687906     12.16492719    -14.98978862
  H     12.86120460     11.00513586    -13.57431487
  H     15.43681299      5.46265139     -7.94850926
  O     12.85536002      7.91439474    -14.35462876
  H     17.43736158      8.44963233    -11.59541983
  H     16.20652499      6.51649604     -8.77037143
  O     15.49659223     10.44455542    -17.33442832
  H     18.09538240      9.78279987    -11.15473730
  H     16.10566184      8.06269515    -15.05045237
  O     12.39718193      5.64697801    -12.70226660
  H     16.82332148     11.14651572    -10.17203178
  H     15.79111534      6.52526844    -15.11003217
  O     15.54875328      5.80627719     -8.83216587
  H     17.73911109     12.31633020    -10.61301286
  H     15.19298321      9.92951742     -9.47134926
  O     15.46942581      7.38018694    -14.79843117
  H     18.63392380      6.09118098    -13.68977713
  H     16.43528819      9.45092296     -8.69361676
  O     15.96036635     10.24267974     -8.96600720
  H     17.88415603      5.07628341    -12.77775794
  H     16.74019679      9.82393199    -16.06552525
  O     17.15814509      9.50824037    -15.25392563
  H     17.13917630      4.89463338    -14.85558856
  H     16.81942940     10.07389891    -14.54345271
          69
 Energy    -248.57261935731304     
  O     13.57886273      8.54002586    -10.84265793
  H     13.51631652      9.30278599    -11.43336256
  H     16.73671707      4.29486604    -11.60298918
  O     13.90245894     11.22428506    -16.30160882
  H     14.09850848      8.79816365    -10.06449325
  H     19.06325107      7.77777450    -12.84404252
  O     16.49740896     10.99986917    -12.61426263
  H     13.58374687     10.36424882    -15.99623435
  H     18.84059602      8.39586199    -14.23643493
  O     16.50923157      6.66177845     -8.15696573
  H     13.59772696     11.86290697    -15.64601488
  H     14.36533868     13.20368704    -14.12252719
  O     16.11851409     13.24154861    -14.26412947
  H     16.83850988     10.88456806    -11.71986289
  H     12.95452904     13.82374078    -13.97337914
  O     15.92895193      7.41695326    -11.90313785
  H     15.56186475     10.75649223    -12.61496067
  H     14.23571178      8.59359983    -14.93694012
  O     13.71196046     10.49793183    -12.79283674
  H     16.11451185      5.92566303     -7.69392828
  H     12.83216502      7.98886431    -14.87368786
  O     18.46354241      8.00917617    -11.05580604
  H     17.29806548      6.30646164     -8.58941577
  H     16.73849698     11.93318627    -17.53408083
  O     17.64115612     10.43632106    -10.10633294
  H     16.36485780     12.58004483    -13.60224285
  H     15.61783587     11.46333544    -16.57912645
  O     18.29500281      5.03027389    -14.26629840
  H     16.37863702     12.86185571    -15.11243750
  H     13.41285732      5.69183957    -14.67437303
  O     15.46708801      5.25817522    -14.71714703
  H     15.72667161      6.47284943    -11.88668491
  H     12.53369978      6.11934913    -13.48448719
  O     17.70303195      4.30814954    -11.57593268
  H     15.18300478      7.86710795    -11.48764925
  H     11.75015441      5.91581438    -11.07444999
  O     19.13343128      7.59222764    -13.78904982
  H     13.49251729     11.38831641    -13.09318626
  H     12.85282521      6.98105630    -11.26757010
  O     13.41545800     12.99498672    -14.06840270
  H     13.50087896      9.90419364    -13.52919125
  H     14.11437097      5.07766732    -11.78069671
  O     13.29481888      8.83006467    -14.97296671
  H     18.72898934      7.27129064    -10.49448366
  H     15.06513982      4.82769148    -12.98744081
  O     16.56909283     11.66581672    -16.63466235
  H     17.56256650      7.80630760    -11.35922032
  H     18.41598226      5.12944298    -10.25158620
  O     12.61756218      6.18337253    -14.44410726
  H     18.32101288     10.93232056     -9.65708685
  H     19.54571340      5.20738411     -9.19397652
  O     12.55381843      6.10099586    -11.55384724
  H     18.04539699      9.60110174    -10.39862764
  H     15.91079780      7.82893204    -13.65940742
  O     14.99525317      4.76583828    -12.02207225
  H     18.58154196      5.95266493    -14.14424299
  H     16.55887057      8.60392859    -14.83231931
  O     18.78344657      5.67130852     -9.52870437
  H     18.95244538      4.61594504    -14.81977255
  H     16.11042629      9.65202702     -9.21474857
  O     15.84792421      7.99131676    -14.61258410
  H     16.39143094      4.98118308    -14.68414456
  H     15.76509707      8.27888974     -8.59819493
  O     15.37569323      9.10928250     -8.90877184
  H     15.52294971      6.21904623    -14.83225595
  H     17.53327996     10.48737016    -15.53209117
  O     17.82690371      9.91306607    -14.81367566
  H     17.98735362      4.49306470    -12.47978377
  H     17.44962701     10.28780553    -14.00293256
          69
 Energy    -248.57260781005243     
  O     -7.66597098      3.02029269      0.00815555
  H     -6.91493937      3.59213394     -0.20952371
  H     -6.12670898     -0.09821696      3.54891197
  O     -3.65101713      3.25859711     -2.37164714
  H     -7.69815274      2.97929624      0.97050200
  H     -3.80411889      0.18475269      3.89398765
  O     -7.37907951      2.83960448      2.84933801
  H     -4.22413688      2.47353950     -2.40466943
  H     -4.19072932     -0.87519989      4.95368865
  O     -3.50804560     -1.72491779      1.65265258
  H     -3.61970062      3.61697585     -3.25568887
  H      0.03545170      1.55289593      1.43188461
  O     -1.31866423     -0.78497886     -2.00168887
  H     -7.89890213      3.22349743      3.55001191
  H     -0.92594125      0.35737192      1.25512065
  O     -5.16004430      0.99299647     -2.09785898
  H     -7.29249353      1.89013550      3.04814063
  H      1.93517237     -0.20603733      0.68814593
  O     -5.34380779     -2.83373729     -0.19901948
  H     -4.17741254     -2.20918865      1.15397904
  H      0.89146812     -1.33830708      0.61810435
  O     -4.00080900     -1.59020155     -2.18154042
  H     -3.86595165     -1.48693979      2.51810277
  H      2.54015851      2.31696062      1.27317793
  O     -1.45845264      1.88832904     -1.26342991
  H     -1.42340545      0.16148839     -1.82042841
  H      1.74731795      1.86142240      0.02411460
  O     -0.97157831     -1.38413152      0.71499252
  H     -0.40303725     -0.91046159     -2.28008886
  H     -8.72033896      0.90906272     -2.04681493
  O      1.48384788     -0.89649839     -2.35425910
  H     -4.87483909      0.91971942     -1.17225325
  H     -7.88280061      1.67313353     -0.98857589
  O     -6.99131359      0.19162518      3.23364000
  H     -6.12454436      0.96201751     -2.08078063
  H     -3.43625329      2.23734214      3.10110660
  O     -4.36389049     -0.59698007      4.05813986
  H     -4.85229787     -2.43541232     -0.94133621
  H     -2.10792989      1.50454790      2.84258262
  O     -0.89827141      1.30719791      1.44263656
  H     -5.49536780     -3.74714927     -0.42567335
  H     -6.59107705     -1.53531703      0.28370522
  O      1.78829142     -1.09633246      0.34606625
  H     -4.41749158     -0.73380751     -2.34027560
  H     -7.46059075     -0.31028149     -0.15268795
  O      1.86089041      1.71567054      0.98056955
  H     -3.04867457     -1.42623139     -2.19707448
  H     -4.03397886     -0.01504509      0.90590719
  O     -7.91856172      0.86325106     -1.53431541
  H     -1.44080729      1.85005633     -0.29774269
  H     -5.52206764      0.30134533      0.68946967
  O     -2.84918233      1.55785083      3.45970262
  H     -2.18166026      2.45831592     -1.54753054
  H     -4.70702160      4.17557562     -1.04070612
  O     -7.05890952     -0.75349518      0.60596085
  H     -1.12925068     -1.27791665     -0.23368571
  H     -4.97118471      4.15396611      0.47768261
  O     -4.63261591      0.66977893      0.58728057
  H     -1.81778318     -1.63056063      1.11298546
  H     -4.63919427      2.26523925      1.49099977
  O     -5.32784331      4.46786791     -0.36457995
  H      1.67070496     -1.03649465     -1.40823978
  H     -5.57612579      3.10750110      2.38844114
  O     -4.68514849      3.07984848      2.01565173
  H      2.11854599     -1.41557589     -2.84030108
  H      0.36093121      2.02118376     -1.65047121
  O      1.32007058      1.89776254     -1.68435793
  H     -7.13772540     -0.24452921      2.38304302
  H      1.45677299      1.02073481     -2.06302464
          69
 Energy    -248.57251186302287     
  O     12.62254611     12.21202203    -16.61606276
  H     13.35409049     12.20607130    -17.24590720
  H     15.38982088     11.86242695    -15.30526707
  O     17.85026032     11.40037283    -13.63111790
  H     13.01740072     12.37046780    -15.74955015
  H     15.14952355      7.94007152    -12.80375108
  O     16.06645756      5.39763040    -15.08738515
  H     17.29707359     11.90959590    -13.02784140
  H     15.75136879      8.97284825    -13.80658986
  O     13.77344687      8.71966436     -9.63580618
  H     17.46066180     11.54766198    -14.50120908
  H     11.66257047     10.79484981    -16.99127608
  O     14.88619885      6.17190105    -12.61222523
  H     16.30367052      4.50212358    -15.31848709
  H     10.39428427     10.18856848    -17.63853543
  O     12.76900151      9.99500780    -13.17685221
  H     16.89556368      5.89665623    -15.01406512
  H     18.68580649      8.47839340     -9.53726151
  O     13.73608650      9.23529696    -18.47792146
  H     14.33787442      7.93227711     -9.62782452
  H     18.24766807      8.64159852    -11.01144485
  O     15.66187376      6.71475719     -9.94270273
  H     14.36695837      9.44255606     -9.86664003
  H     11.88408749      7.13476166    -12.27764068
  O     16.42948607      8.94099071    -15.55800350
  H     13.92033591      6.18203997    -12.71041872
  H     12.02790425      6.96402510    -13.80098656
  O     14.41361874      7.31759521    -16.49877732
  H     15.25792421      5.78030065    -13.40913445
  H     15.98366491     13.47812621    -11.41424968
  O     18.72406986      8.91924911    -12.65405917
  H     12.23654680      9.65380699    -12.44763100
  H     15.82019547     11.94058928    -11.44940586
  O     16.12170837     11.63515139    -15.89744820
  H     13.64758230      9.59002845    -13.08922870
  H     17.69818541      7.83589224    -15.23261021
  O     15.24777266      8.88430684    -12.98994456
  H     14.03560424      8.48414581    -17.95102353
  H     19.07246431      7.16735747    -15.48729966
  O     11.24459856      9.96092151    -17.27259453
  H     12.82834840      9.40597646    -18.19487006
  H     16.60345900      9.86093780    -10.33197561
  O     17.91876991      8.53806338    -10.10005508
  H     15.46859075      6.39434713    -10.83383473
  H     15.66010256      9.84041417    -11.54158810
  O     12.19456799      6.52373084    -12.95820927
  H     16.47425566      7.23141760    -10.00606001
  H     14.51019959     10.80411126    -18.47339122
  O     15.84042607     12.74114470    -12.00256837
  H     15.68834647      8.47148554    -15.96478243
  H     15.02715305     12.03434748    -19.25818875
  O     18.28546760      7.10982275    -14.95020230
  H     16.34270541      9.88350046    -15.74891406
  H     12.30761719      8.62187943    -10.51166120
  O     15.86805547     10.33917532    -10.73470575
  H     13.61238336      7.54132302    -16.00077128
  H     10.76075480      8.67134108    -10.52730074
  O     14.84006128     11.71590365    -18.37946505
  H     14.82317093      6.55246477    -16.08082483
  H     13.49815053     11.52264940    -13.79311179
  O     11.52436955      8.59978126    -11.09267684
  H     18.46880953      9.77760711    -13.02487321
  H     14.58513554     12.55327644    -13.40697894
  O     14.02900024     12.25616605    -14.13797660
  H     18.62071315      8.26563655    -13.35071886
  H     11.69420451      8.73209892    -15.94385408
  O     12.12495130      8.23945233    -15.23472644
  H     15.79742304     11.74939594    -16.79935184
  H     12.32540668      8.89018291    -14.54604982
          69
 Energy    -248.57250708628391     
  O     10.60357316      9.84520400    -11.75759148
  H     11.43587451     10.28983007    -11.96476960
  H     14.90840844     13.49270001    -13.95120027
  O     14.14679663      7.68307510    -15.33752476
  H     10.20921184      9.60635300    -12.60544730
  H     15.47365800      8.48906209    -12.42384246
  O     17.23994178      9.26572108    -10.04528002
  H     13.41526267      8.31680475    -15.32470782
  H     16.35768816      7.47781487    -13.26209686
  O     12.26971107      9.65565575    -15.00294009
  H     14.72528929      7.90987807    -14.58902818
  H     10.06228638      7.54556076     -9.63181862
  O     15.72623742      5.35092069    -10.41621298
  H     17.83059692      9.61697685    -10.72212612
  H     10.64719416      8.39615567    -10.78574384
  O     13.20586362      5.81451094    -13.39167867
  H     17.55052969      8.36950405     -9.86235711
  H     18.87964944      6.93598032    -11.47245095
  O     14.68092846      9.18542279    -10.95819224
  H     11.35685216      9.36797549    -14.88138948
  H     19.15842191      8.15184817    -12.37905754
  O     16.02354293      9.60799452    -16.64161962
  H     12.56984236     10.00287843    -14.14928986
  H     10.45291394      6.64890451    -12.07497382
  O     15.43385852      4.14113817    -12.99152852
  H     15.65628610      4.81329014    -11.21362594
  H     11.34972766      6.08161309    -13.19556839
  O     16.96671434     10.61892606    -14.11837848
  H     14.88293924      5.81644973    -10.34421179
  H     18.31656789     10.33845455    -12.95320526
  O     16.63261480      6.74222701    -16.41277119
  H     13.89136843      5.13954482    -13.30155351
  H     19.66521516     10.66879819    -12.27901863
  O     14.88315754     12.53968113    -13.96822470
  H     13.46490664      6.38020871    -14.12924842
  H     17.23230967      6.17590372    -14.77703638
  O     15.82416970      8.28038336    -13.29884583
  H     14.23599673      8.36307757    -10.71295491
  H     18.05758954      6.29607219    -13.42868757
  O     10.67440116      7.51916257    -10.36197018
  H     15.53068310      9.25153040    -10.49697742
  H     17.23358944      6.10493808    -10.00432666
  O     19.14665602      7.18771476    -12.36679305
  H     16.49235452      9.98269341    -15.88342787
  H     18.45962044      6.12017232     -9.06270862
  O     10.46483310      6.42347407    -13.01350870
  H     15.37727833      8.98998485    -16.27720654
  H     14.64024399     10.97964328    -16.64839241
  O     18.93202348     10.05836890    -12.25681106
  H     15.64924970      3.25781936    -13.27886985
  H     13.23340952     10.93264917    -16.01353158
  O     17.26769632      5.91949131    -13.84474720
  H     16.13953339      4.72684522    -13.32160759
  H     12.43300101      6.98827933    -10.47131148
  O     18.07032718      6.56408405     -9.81141861
  H     16.54188356      9.79769556    -13.82010962
  H     13.28984078      6.49424245    -11.66327167
  O     13.93324644     11.53622313    -16.29831829
  H     16.32442024     11.33004629    -14.00010122
  H     13.68935328     10.25080352    -11.97414936
  O     13.33705275      6.78276086    -10.74057946
  H     16.83615819      7.62395308    -16.74135164
  H     13.70519290     11.46543159    -12.94290731
  O     13.14695764     10.76088229    -12.59459527
  H     15.68631611      6.77488901    -16.21944703
  H      9.96260210      7.85190025    -13.88318772
  O      9.74554170      8.72055878    -14.26719347
  H     14.52902449     12.28115788    -14.83879206
  H      8.88700310      8.63778622    -14.67282575
          69
 Energy    -248.57233070550637     
  O      1.48175866     11.80780763      2.24938801
  H      0.88838135     11.74827494      3.00685051
  H      6.11636576     10.08752621      1.24893556
  O     -1.21259469     15.66081743     -0.52367353
  H      0.90180142     11.80185483      1.46886352
  H     -0.19530231      8.30334837      0.03066398
  O     -2.33993161      9.92085359     -2.21993083
  H     -0.81557072     15.56484396     -1.40173925
  H      0.87095633      8.82184415      1.03937321
  O     -2.15254296      9.90850058      2.32397408
  H     -1.75847739     14.87742132     -0.39114373
  H      5.09340353     10.21051685     -1.13372811
  O      2.37284420     13.92717516     -1.81344816
  H     -1.69332078      9.22053217     -2.08078583
  H      3.97556208      9.87267089     -2.13433725
  O      5.03079642     12.97576255      0.50030266
  H     -2.80950253     10.04470631     -1.38567370
  H     -1.91906058     12.88506195     -2.06018685
  O      4.97460479     13.04396588     -2.36358948
  H     -1.45799535      9.34785261      1.95090759
  H     -1.89476119     11.56376152     -2.82363901
  O      2.62016854      9.57223984      1.02795855
  H     -1.71399017     10.49252569      2.95331820
  H      2.32455381      9.39195305     -0.81762085
  O     -0.11375260     11.47209089      0.08718653
  H      2.37633172     14.01174408     -0.85015034
  H      1.79555615     10.11010744     -2.09907089
  O      2.46752779     14.08608662      1.00127477
  H      3.27890329     13.73029718     -2.08433677
  H     -0.23067062      7.11070120     -2.27864681
  O     -3.72990021     10.64069172      0.23329279
  H      4.23574006     13.45597300      0.76397962
  H      0.64096568      8.32862049     -1.89584233
  O      5.31949876     10.28815943      0.76557141
  H      5.12549442     13.12366283     -0.44898218
  H     -3.01872391     12.39785421      0.01732888
  O     -0.07943225      8.73540708      0.88686156
  H      5.62266743     13.27044346     -3.02517386
  H     -1.49685421     12.57869623      0.01637209
  O      4.81330532     10.34243647     -2.04870081
  H      4.91826775     12.07205823     -2.34441988
  H     -0.15560316     15.89017806      0.80481362
  O     -1.58221873     12.48207202     -2.86750959
  H      2.29588637     10.33914833      1.52231730
  H      0.43289433     16.79821854      1.91165308
  O      2.16475066      9.27566875     -1.76502666
  H      3.57988764      9.67254654      0.99890584
  H     -1.89412347     13.70057775      1.75501505
  O     -0.24005129      7.93106407     -1.79149974
  H     -0.25145400     10.54365775      0.31368514
  H     -0.80160534     14.61002999      2.35130248
  O     -2.33164721     13.07167259     -0.05297527
  H      0.30029264     11.50351436     -0.78454961
  H      0.13952902     11.90602855     -2.74921589
  O      0.40315390     15.89600010      1.60456117
  H      1.84371858     14.78699590      1.22947022
  H      1.53222870     12.43682027     -2.27877674
  O     -1.43670549     13.91857515      2.57483285
  H      2.20222632     13.31369095      1.52015574
  H      0.84113768     14.70637954     -2.64584701
  O      1.01630076     11.63476983     -2.44513851
  H     -3.21537601     10.37301331      1.01551511
  H     -0.51773952     14.20591932     -3.19187457
  O     -0.03404366     14.99834742     -2.93458555
  H     -4.63063737     10.37070891      0.39274679
  H     -1.01151787     12.56258095      3.55773539
  O     -0.72058220     11.74988153      4.01140696
  H      5.23175508     11.25878266      0.75705253
  H     -0.88208117     11.88010654      4.94198088
          69
 Energy    -248.57211803692709     
  O      1.47038908      1.41186371      3.75199478
  H      2.15518841      1.90105974      4.20037228
  H     -5.50903329      3.37917164      1.56961437
  O     -0.86455129     -1.12680062     -3.41829984
  H      1.08752423      0.79978013      4.40610963
  H     -2.06298624      1.51008241      4.88739700
  O      0.16484609     -0.19902337      5.51789249
  H     -1.57440366     -0.97400363     -2.77816080
  H     -2.73962679      0.18451784      5.36315550
  O     -2.45216433     -0.60126532     -1.16890838
  H     -0.38102621     -1.89358189     -3.08836358
  H     -3.01737045      3.09343716      1.12245010
  O      0.68409386     -3.10027001     -1.97006208
  H     -0.65559554      0.23751087      5.77880181
  H     -1.67365093      2.67962986      0.44346204
  O      2.05588709     -0.86643532     -1.24779985
  H     -0.07076036     -1.10789928      5.30074951
  H     -3.68034372     -0.03474215      1.19621646
  O     -4.92175416      1.58485152      4.11132883
  H     -1.82859468      0.09004325     -0.90160302
  H     -4.72530507      1.01712503      0.78440601
  O     -1.25250606      2.12516492      3.39434844
  H     -3.28969681     -0.38196841     -0.74129266
  H     -1.94563642      0.61574658      2.64718375
  O      0.72322779      1.03235177     -2.93428160
  H      1.28752230     -3.75170591     -2.31697005
  H     -1.55545998     -0.80827171      2.15495289
  O     -5.97515785     -1.08592828      4.31792766
  H      1.22584719     -2.34477072     -1.67819806
  H     -0.74592400     -3.20013130     -0.79325314
  O     -3.22891104     -1.46151324      4.59129566
  H      1.76907366     -0.16965796     -1.85110218
  H     -1.87514339     -2.18174233     -0.51640228
  O     -4.85255687      2.68858080      1.60963835
  H      1.92785924     -0.51233867     -0.35794666
  H      0.80878211     -0.66966527      1.53646179
  O     -2.45999699      1.06426229      5.65345387
  H     -4.20217226      1.58427529      4.75122377
  H      1.44548344      0.64133803      2.04848687
  O     -2.07085720      3.27869451      1.08988518
  H     -5.35591424      0.72655526      4.19522305
  H      0.00233946      1.01646408      0.15894809
  O     -4.42919164      0.11910376      0.59589528
  H     -0.29322817      2.04777047      3.44245445
  H     -0.16145304      1.44305279     -1.32190722
  O     -2.30276508     -0.21969236      2.31616379
  H     -1.48137531      2.67696390      2.63104597
  H     -1.75975689     -2.42931459      4.72236959
  O     -1.47864369     -3.00616853     -0.19502971
  H      0.92770960      1.54661403     -3.71016324
  H     -0.86740278     -3.60112906      5.19575580
  O      1.22552423      0.15584440      1.24513371
  H      0.15169531      0.29821873     -3.22309178
  H     -0.62122742     -2.53432990      1.34484860
  O     -0.62518668      1.38861915     -0.47660848
  H     -5.91219655     -1.47276208      3.42424539
  H     -0.36636552     -2.46191929      2.90257324
  O     -0.85740187     -2.79275741      4.68982793
  H     -6.80471366     -1.37387998      4.68739093
  H     -2.91750305     -3.74540680      0.67364870
  O     -0.19485851     -2.03449668      2.05493444
  H     -3.00508989     -1.05071352      3.74069064
  H     -3.89088169     -4.91214417      0.86763156
  O     -3.68852793     -4.03397898      1.18406921
  H     -4.19181633     -1.47296924      4.63920938
  H     -5.32906885     -1.32687874      1.30817802
  O     -5.59702290     -2.07640854      1.85682057
  H     -4.87098494      2.34160276      2.51942024
  H     -4.97389668     -2.78858140      1.66125575
          69
 Ord_Energy   -248.571915    
 O   -2.98895025       5.82753038       7.00976229    
 H   -2.50966716       5.57440996       7.81221247    
 H   -3.87803769       6.09035778       7.27935505    
 O   -2.63577747      0.419854641       8.24483490    
 H   -3.41254497       1.00218999       8.33139610    
 H   -2.72141600     -0.259529859       8.90806007    
 O    2.48316002       3.86448073       6.05801010    
 H    3.10815096       3.48169160       5.44811630    
 H    1.60180461       3.55022049       5.79074764    
 O   -3.03360057      0.759554803       5.47821045    
 H   -3.18129539       1.71783292       5.54939318    
 H   -2.82194638      0.453328758       6.36776400    
 O  -0.732097745       2.52695727       8.11686134    
 H   -1.30115223       1.75282252       8.18681431    
 H  -0.573565543       2.69477892       7.17652416    
 O   -5.55638456      0.343411952       4.44776154    
 H   -4.65544939      0.379341871       4.80823803    
 H   -5.77905035     -0.579725981       4.35180855    
 O   -6.83162880       4.78078699       6.08999777    
 H   -6.98544121       3.83449221       6.22091675    
 H   -6.39106274       4.86196232       5.23447371    
 O   -2.62249637       5.49499893       2.73772550    
 H   -2.58020306       6.31773996       2.25559855    
 H   -2.05465436       5.60613537       3.51948071    
 O   -1.14388978       5.79375553       5.00660229    
 H  -0.316465199       6.12273312       5.38772678    
 H   -1.82718611       5.91474152       5.68328238    
 O   -4.67853117       2.20437407       8.20923901    
 H   -4.66576576       2.89627433       8.88688183    
 H   -4.43868208       2.63519239       7.37599230    
 O   -1.05239272       1.43101645       3.62484527    
 H   -1.71419632       1.01761162       4.19648075    
 H   -1.54501879       1.86323750       2.91648674    
 O   0.864923596       6.12310982       9.24296570    
 H    1.26830208       5.23896170       9.16985035    
 H    1.35411000       6.59492683       9.91189384    
 O   -1.67428017       4.89515734       9.23383236    
 H   -1.38772285       4.03083515       8.90300179    
 H  -0.873515546       5.42040968       9.35187721    
 O   -3.69053769       3.39297652       5.85096312    
 H   -4.30298376       3.71609783       5.17766809    
 H   -3.35938478       4.18123627       6.29890871    
 O  -0.110601217       3.19626403       5.47329378    
 H  -0.377149880       2.56345391       4.79078054    
 H  -0.528906941       4.04414034       5.27832174    
 O   -5.32110929       2.31565452       2.40409088    
 H   -4.39424610       2.31652761       2.13628054    
 H   -5.43645334       1.58526564       3.02509403    
 O    1.79685187       3.60650373       8.80541897    
 H    2.20141578       3.63234806       7.92861843    
 H   0.986760855       3.08908010       8.70147228    
 O   -5.17990303       4.64081860       3.82151532    
 H   -4.39881134       5.06230259       3.44927907    
 H   -5.37209988       3.86728549       3.26765943    
 O   -4.42977810       4.38712168       9.84112549    
 H   -4.87974787       5.06063652       9.31482124    
 H   -3.49009132       4.60920143       9.81697559    
 O   -5.57602406       6.23923302       7.96371651    
 H   -6.07928133       5.71143913       7.31651783    
 H   -6.11631489       6.99408436       8.17961311    
 O    1.15462244       6.39552689       6.37382317    
 H    1.75748110       5.65455723       6.23512316    
 H    1.02272391       6.44504404       7.32838392    
 O   -6.90281248       2.00521207       6.44740438    
 H   -6.54956293       1.43744361       5.75360918    
 H   -6.29251385       1.92431819       7.19159746    
 O   -2.57321787       2.88261557       1.70978165    
 H   -2.56581640       3.79362392       2.04268193    
 H   -2.34485340       2.92893839      0.783451617    
          69
 Energy    -248.57156788475621     
  O     13.93257709      9.49989950    -10.71060639
  H     13.88495703     10.07176805    -11.48971494
  H     18.09576436      4.91226985    -10.40412254
  O     13.34630555     10.31981078    -16.72808660
  H     14.58330254      9.86442740    -10.09776470
  H     12.79342692      8.10723788    -10.45627511
  O     16.68858126     11.04546848    -13.53884526
  H     13.18300995     11.13225815    -16.23268092
  H     12.14945712      6.99699550    -11.31542971
  O     13.97540722      4.93982441    -13.65915543
  H     13.27067342      9.59783905    -16.09076273
  H     14.28508218     12.80078653    -15.31624062
  O     16.15228480      7.51180257     -8.26852662
  H     17.16049026     10.96690634    -12.69871061
  H     12.93630989     13.54421983    -15.15098794
  O     15.98857192     12.70591643    -15.68512369
  H     15.74925299     10.92675865    -13.34586805
  H     14.24332380      7.89525184    -14.71055549
  O     15.60746212      7.52154999    -11.78841456
  H     14.32038915      4.76120368    -12.77087489
  H     12.79819451      7.84595894    -14.15849741
  O     13.90893242     10.72802004    -13.16500659
  H     14.66616130      5.43338985    -14.11573932
  H     15.94686318     10.58217350    -18.58065562
  O     18.32710232      7.79294700    -11.53758220
  H     15.40791936      6.90749408     -8.37522894
  H     14.97147167     10.45938853    -17.38642606
  O     17.86331433     10.54177234    -11.09968251
  H     16.94923325      7.02292867     -8.50537120
  H     11.04330912      6.17992929    -13.45305769
  O     18.37617391      5.78879042    -13.56722778
  H     16.08876351     12.09612422    -16.42664719
  H     12.56507996      5.91055990    -13.35777834
  O     17.73186334      4.35585170    -11.10416006
  H     16.38793049     12.26179874    -14.92327265
  H     13.30072115      6.29473644     -9.28779143
  O     12.37835910      7.23362153    -10.40968819
  H     15.34583710      6.64165683    -11.48439241
  H     13.38701405      5.38182085     -8.03972357
  O     13.34359616     12.68491126    -15.09096877
  H     15.00253532      8.16974450    -11.41049696
  H     15.96639092      4.56450116    -11.04004855
  O     13.42858021      8.40408655    -14.63208990
  H     13.61387244     11.46802764    -13.70972180
  H     14.68909239      4.98979672    -10.22528159
  O     15.90508663     10.59382147    -17.62845725
  H     13.72922426      9.92122175    -13.66946680
  H     18.59181570      6.93139038    -10.00444214
  O     11.86907493      6.56739496    -13.17356935
  H     17.35545761      7.78719410    -11.54781695
  H     19.42737914      6.46246434     -8.78954414
  O     13.91313904      5.78655837     -8.72401581
  H     18.58847492      7.23279030    -12.27661039
  H     16.36021406      7.65780397    -14.89039019
  O     15.04717380      4.86315614    -11.11141499
  H     17.27237938     10.47233556    -10.34035593
  H     15.78584177      7.18928996    -13.50644144
  O     18.58551666      6.35001942     -9.22447980
  H     18.21267378      9.65262025    -11.24322400
  H     16.07293988      9.20200039     -8.65839590
  O     15.92527739      6.91946044    -14.42963141
  H     17.54259239      6.09046389    -13.95868891
  H     16.00915549     10.66019430     -8.14465479
  O     16.00553675     10.13261735     -8.93915437
  H     18.95798331      5.58936577    -14.29745512
  H     16.74101329      9.54035863    -16.30494575
  O     17.04088332      9.09174175    -15.50563438
  H     18.02716263      4.74036819    -11.93854102
  H     17.02831508      9.75850491    -14.80396580
          69
 Energy    -248.57135050886285     
  O     10.15219611     11.53496602    -10.31805890
  H     10.65237878     11.76526607    -11.12119058
  H     12.14103293     12.76523393    -12.82585289
  O     14.13249257      9.88098164    -15.53438178
  H      9.35089995     12.05118238    -10.33189615
  H     16.22539816     13.86155839    -14.00705709
  O     10.81512278      8.79430925    -10.75976013
  H     14.84955417     10.03626437    -14.90241668
  H     15.88029648     12.37815032    -14.27590523
  O     13.45971149      7.44848875    -14.06040959
  H     14.21847616     10.58830862    -16.18441803
  H     16.50843501      8.96941175     -9.52386477
  O     14.81633065     12.32834715     -9.52699398
  H     10.47647700      9.67407253    -10.55244609
  H     16.02966923      8.22220996    -10.78674171
  O     14.48851594     12.38047873    -16.90821090
  H     11.51793380      8.62224341    -10.12343358
  H     14.22747388      9.01811406    -11.60838416
  O     10.73956991      8.06744688    -13.38528399
  H     13.70730979      8.12333076    -14.70256709
  H     14.11935784      7.68819478    -12.38495306
  O     13.18820011      8.61250015     -9.09266799
  H     12.51708789      7.57348900    -13.88966103
  H     15.34514738     14.70953388    -11.59914195
  O     14.08943337     10.80122114    -11.77231342
  H     14.69602939     13.15080364    -10.02811220
  H     13.87291032     14.44987160    -11.93254237
  O     12.45234954     11.34180117     -8.68936001
  H     13.94904806     12.09251669     -9.15379563
  H     17.76353638      9.50175410    -11.40092315
  O     17.44500793     12.59227462    -10.84875239
  H     14.96865937     12.78571159    -16.16713517
  H     19.08700808      9.77047977    -12.15900442
  O     11.67724893     11.97630266    -12.51377640
  H     14.93189614     12.65935006    -17.70578999
  H     12.57021979     13.85591920    -14.44174857
  O     15.70754573     13.28258801    -14.57961401
  H     10.77722134      8.29626334    -12.44006884
  H     14.01597125     13.78049638    -13.92710436
  O     16.81951967      8.55665100    -10.33777562
  H     10.02722735      7.44104914    -13.48525280
  H     15.34565600     10.75748041    -12.98985666
  O     14.35936487      8.06093982    -11.52689386
  H     13.54640826      8.25777245     -9.92146012
  H     16.84565428     10.44432297    -13.23359279
  O     14.49883201     14.47603104    -11.19865739
  H     13.96310648      8.89824092     -8.59572720
  H     12.67327025     12.83685289    -16.40513563
  O     18.21220452     10.11769382    -12.00918768
  H     14.36970102     11.29981642    -10.99615475
  H     11.53065250     12.15309419    -15.63995641
  O     13.11865190     14.02056390    -13.65980652
  H     13.21548886     11.13166817    -12.01345196
  H     15.87522631     10.15253296     -7.27092831
  O     16.02960405     10.70223907    -13.67636198
  H     12.60258897     10.39272895     -8.79190837
  H     15.40263013     10.83002231     -8.57001979
  O     11.86175398     13.01748022    -15.91397846
  H     11.61210418     11.52043988     -9.12813067
  H     17.70494510     15.35017522    -12.41101903
  O     15.60943660      9.97184044     -8.17030340
  H     17.74524255     11.74305527    -11.19730763
  H     17.27161549     13.93984843    -11.94089369
  O     17.04052623     14.67760109    -12.53416066
  H     16.66952055     12.41849236    -10.30557734
  H     11.11412944      9.59210215    -14.37510708
  O     11.48464666     10.40132475    -14.75023620
  H     11.51853338     11.41970782    -13.28988965
  H     12.39401355     10.19478721    -15.01073959
          69
 Energy    -248.57134099474081     
  O     -7.11867632      3.03355527     -0.75829556
  H     -7.40998864      2.16817308     -1.06281561
  H     -5.48388717      1.39510417      2.92017852
  O     -3.75250600      1.61883060     -3.77711842
  H     -6.30144261      3.24843285     -1.23109271
  H     -0.13600832      2.00377998      1.81952389
  O     -7.07823565      3.89448160      1.77115626
  H     -3.89463058      1.48924973     -4.71078722
  H     -1.09393741      0.79818494      1.80891080
  O     -3.78086907     -1.00988016      2.21558488
  H     -4.31771525      0.97899159     -3.30944714
  H     -2.02218106      2.65654459      0.74686442
  O     -1.36111431     -1.10579227     -1.27438427
  H     -7.14611829      3.64038163      0.83125456
  H     -3.24239522      3.59533880      0.77931926
  O     -5.25690884     -0.02094485     -2.20712119
  H     -7.78308401      4.51087988      1.94596410
  H      0.73645459     -0.98597545      1.50936101
  O     -5.39315581     -2.91221159      0.94910901
  H     -4.32733518     -1.77661818      2.00936359
  H      1.77115529      0.14353858      1.35390966
  O     -3.93228289     -2.33209134     -1.27160571
  H     -3.92464411     -0.39626494      1.47732250
  H      2.30540283      2.72894222      1.27076196
  O     -1.61524627      1.60710780     -1.97691854
  H     -0.43210728     -1.30376616     -1.45028091
  H      1.47893831      1.96957436      0.20494006
  O     -1.13160211     -0.99030043      1.49845675
  H     -1.49608179     -0.18103077     -1.52402946
  H     -7.78335253     -0.09636249     -0.63105141
  O      1.45211111     -1.31135455     -1.42643129
  H     -6.21822806      0.03856624     -2.14825763
  H     -8.80700909      0.13739887     -1.76797321
  O     -6.28115739      1.29753490      2.38712655
  H     -4.92598789      0.28468309     -1.34611418
  H     -3.64670588      0.57842235      3.25020357
  O     -1.05909835      1.75480483      1.95402308
  H     -4.86067620     -2.76543328      0.14622678
  H     -2.67235892      1.74362132      3.12059051
  O     -2.67947048      3.08363098      0.17602074
  H     -5.55675940     -3.84981339      1.00303324
  H     -6.75276359     -1.56282370      0.93674793
  O      1.64921026     -0.80687084      1.24134078
  H     -3.01394547     -2.03484080     -1.29160996
  H     -7.08214199     -0.17336941      1.54117570
  O      1.61054444      2.08516390      1.16336334
  H     -4.43375845     -1.65470364     -1.74371329
  H     -5.18607071      1.09658977      0.83601193
  O     -7.92183793      0.35089169     -1.48618230
  H     -2.25234968      1.63917645     -2.70203561
  H     -3.86270780      1.63656808      0.23454814
  O     -3.56364739      1.52708343      3.42397776
  H     -1.94972824      2.19093661     -1.28403492
  H     -3.94567229      3.64088656     -1.30587099
  O     -7.37083506     -0.82400627      0.88713828
  H     -1.99951654     -1.16937658      1.88209581
  H     -4.37050605      3.06597499     -2.66699919
  O     -4.44678355      0.86991961      0.25610456
  H     -1.23617492     -1.07134957      0.53945698
  H     -5.22026560      4.12919244      2.03852140
  O     -4.66769702      3.62897563     -1.94215305
  H      2.10950855     -1.92139099     -1.74909802
  H     -4.10385766      3.31714526      2.73404665
  O     -4.26251283      4.05778887      2.13607759
  H      1.60726608     -1.20848015     -0.47001345
  H      0.24387099      1.66269677     -1.75517924
  O      1.15831023      1.54434998     -1.46669846
  H     -6.65757639      2.18152938      2.27674204
  H      1.35360749      0.60808392     -1.59629481
          69
 Ord_Energy   -248.571289    
 O   -1.58656061       2.86196017      -4.45224190    
 H   -1.93493557       2.35753894      -3.70664978    
 H  -0.631742775       2.93619227      -4.31713438    
 O   -1.74275744       5.95573759       2.01985550    
 H   -2.47893572       5.38166904       1.77391577    
 H   -1.16385090       5.97621536       1.24659121    
 O    1.67660558      0.657776773       2.21681046    
 H    1.75112987       1.47047746       1.70671833    
 H   0.934668303      0.173391223       1.82675672    
 O  -0.611222506     -0.354949504       1.00159299    
 H   -1.41684020     -0.822080314       1.25765193    
 H  -0.545489967     -0.359798998       3.72864194E-02
 O  -0.383454233       4.73685712E-02  -1.73240471    
 H   -1.12716591      0.667006373      -1.83792496    
 H  -0.388587534     -0.525126398      -2.49532080    
 O    1.63856030       4.06229067       3.54103708    
 H   0.865162551       4.54501343       3.85902333    
 H    1.64429617       3.23957539       4.04486275    
 O    1.21521068       1.46837902       4.75591183    
 H    1.41880941       1.08979523       3.88163519    
 H    1.73658764      0.987603724       5.39269352    
 O  -0.863842666       5.13796139       4.42816496    
 H  -0.986555696       5.83183622       5.07029104    
 H   -1.17736602       5.48818541       3.57469559    
 O    1.57451534       2.12105989      -1.57561111    
 H    1.52443027       2.55119491     -0.713140786    
 H   0.987915933       1.35554409      -1.54476178    
 O   -3.58127880      0.640968144       3.63506794    
 H   -2.90960407       1.22467637       4.00842810    
 H   -4.21881914       1.20351934       3.17607999    
 O    1.17406785       3.33441663      -3.94569397    
 H    1.94216883       3.20987558      -4.49688721    
 H    1.37138081       2.91219068      -3.09060454    
 O   -2.56446290       4.51165676      -1.43102574    
 H   -1.73739064       4.83372784      -1.04327106    
 H   -2.64049911       4.91499090      -2.30335784    
 O   -5.31849384       2.16619492       1.95820498    
 H   -4.74207449       2.89387202       1.66494954    
 H   -6.19295931       2.53146005       2.06296158    
 O   -4.13604450      0.532169819     -0.121771969    
 H   -3.80185032     -0.193458706      0.418086499    
 H   -4.64526701       1.07889843      0.488064051    
 O   -1.32637382       2.29259992       1.58940601    
 H   -1.33861721       2.31750631       2.55695486    
 H   -1.18901992       1.37165439       1.33514619    
 O   0.267907500       5.86309481      -2.98572254    
 H   0.669356167       5.05863762      -3.33862662    
 H  -0.597593665       5.91800404      -3.40821147    
 O   -2.37924981       5.43908882      -4.07365561    
 H   -2.91676760       5.79013062      -4.77776718    
 H   -2.14431691       4.52717066      -4.32381058    
 O  -0.200628638       5.49566460     -0.305019379    
 H    9.24698189E-02   5.72859669      -1.19909942    
 H   0.399423897       4.82443333       3.93844992E-02
 O   -1.41677320       2.37280345       4.36451626    
 H  -0.561441660       1.98913383       4.60301590    
 H   -1.32968426       3.32826996       4.48348427    
 O   -3.07775998      -1.31296730       1.82803607    
 H   -3.45253873      -2.13887358       2.12100863    
 H   -3.24667001     -0.661038220       2.53294110    
 O   -3.47690988       3.92364168       1.06382084    
 H   -2.73183584       3.32360697       1.23236668    
 H   -3.37958956       4.20565414      0.143604457    
 O   -2.47019839       1.75630176      -1.95280087    
 H   -2.47063661       2.69567442      -1.72587252    
 H   -3.11823797       1.32311463      -1.37707651    
 O    1.15720069       3.31061149      0.945355713    
 H   0.257782042       2.98887944       1.11501467    
 H    1.47106862       3.67644262       1.78581202    
          69
 Energy    -248.57116558602556     
  O     15.17013759      9.71205093    -16.34456641
  H     15.30641184      9.30032936    -17.20945872
  H     17.02769017      6.62696744    -15.46847723
  O     16.34693460      5.15511085    -13.11261192
  H     14.47220870      9.21442914    -15.90294043
  H     19.04589145      4.87037165    -11.42952978
  O     16.96520339     13.13532453    -10.60487293
  H     16.51703470      5.18275272    -14.06560967
  H     17.91403327      5.33685745    -12.37773061
  O     19.64111062      9.07546464    -14.54576388
  H     15.76178512      5.89662224    -12.92245265
  H     18.61241758     11.01629272    -16.52948706
  O     14.59476253      6.29919288    -17.07258373
  H     17.77237901     12.74793228    -10.24368380
  H     19.91535957     11.27439527    -17.32415161
  O     17.20127787      9.72818749     -8.91335198
  H     16.24140763     12.67235226    -10.16436586
  H     16.51087619      8.87155362    -15.34741952
  O     15.07154162      7.75957825    -12.80224692
  H     18.71647901      8.78057344    -14.59680032
  H     16.44351779      8.13938310    -13.98953233
  O     17.07182944     11.84834266    -13.05129486
  H     19.77553516      9.63652500    -15.31807888
  H     17.96441811      7.14014526    -11.33034806
  O     20.31050177      6.38927199    -14.29561789
  H     14.92159304      6.90100116    -17.75302780
  H     16.59843367      7.83539271    -11.56519627
  O     13.45086119      7.74963960    -15.09455824
  H     15.38785174      5.91513948    -16.67263646
  H     19.27924316     11.05385847    -10.62180388
  O     19.57433980      5.82094851    -16.83940816
  H     17.95343764     10.31685344     -9.05770947
  H     20.13508282     11.75093610     -9.53935140
  O     16.98217949      5.70663365    -15.77084198
  H     17.28237302      9.02168776     -9.56655791
  H     19.40674700      9.76355454    -12.90106970
  O     18.76580075      5.59617126    -11.98189519
  H     14.94882556      8.66971519    -12.47742258
  H     18.47136251      9.31961501    -11.74180040
  O     19.41820701     10.59298163    -16.88055042
  H     14.45062485      7.66048853    -13.53704465
  H     14.47774036     11.40097683     -8.66650968
  O     17.01515285      8.30535239    -14.74897617
  H     17.75892778     11.22288957    -12.78646158
  H     15.77954365     10.72666385     -9.16130066
  O     17.45235398      7.93483362    -11.12960347
  H     16.99304530     12.47276165    -12.31567419
  H     18.86273348      7.41793276    -17.64462715
  O     19.23662455     11.54241891     -9.78155876
  H     20.23240398      7.35371491    -14.32339360
  H     18.81650986      8.97162431    -17.66636292
  O     19.02095081     10.04886571    -12.06229626
  H     19.84239780      6.10291185    -13.50338688
  H     15.57903181     10.85760005    -12.49445441
  O     15.05799664     11.32779215     -9.41910748
  H     12.49877896      7.70809985    -15.13265565
  H     14.83729671     10.65597305    -11.15767337
  O     18.40600385      8.17611918    -18.02687660
  H     13.78886620      7.16658537    -15.79789745
  H     17.11217409     11.81483041    -14.88781698
  O     14.91753532     10.30859647    -12.05402902
  H     19.89751004      5.98098630    -15.93431995
  H     16.35960838     11.13514760    -16.05412035
  O     17.15918278     11.63022156    -15.83616813
  H     20.19852742      5.23169645    -17.25395035
  H     16.74503599      8.22928538    -18.49583912
  O     15.79425034      8.30816355    -18.69540613
  H     17.82288691      5.54110495    -16.21193350
  H     15.72424076      8.52444750    -19.62108148
          69
 Energy    -248.57094402953464     
  O     10.25227483     12.59884930    -12.27293888
  H     10.35526610     12.21919411    -13.15304576
  H     12.61673974     12.37464564    -14.27717961
  O     14.32803355      7.66429254    -16.87415462
  H      9.76342022     11.96638459    -11.73390171
  H     14.78738267      8.41650701    -12.29800452
  O     11.05995439      9.08817096    -11.54328927
  H     13.36780206      7.81601160    -16.93700628
  H     14.27032732      9.62127194    -11.50149638
  O     14.64364337      8.46373084    -14.17424685
  H     14.52755445      6.92221249    -17.43793377
  H     13.00453900     14.91448731    -12.04666494
  O     12.69299091     13.14207037     -8.35827206
  H     11.55109091      8.71976058    -10.79852448
  H     13.45029916     16.03339576    -13.02167112
  O     14.56342125     10.52025901    -17.14698796
  H     10.29156084      9.54849482    -11.18243490
  H     13.56251034      8.43479905    -10.04344508
  O     11.85291170      8.90509605    -14.14006476
  H     15.02811252      9.34574733    -14.29499356
  H     12.95701585      7.63926051     -8.86872847
  O     13.22663125     11.06910729    -11.61323114
  H     14.64115370      8.04604258    -15.04380190
  H     17.00286027     12.74183507    -12.39467326
  O     11.22557840     10.73759692     -8.59377086
  H     12.88953320     13.68321135     -7.59783475
  H     18.40817149     12.31453224    -12.87863362
  O     15.97533676     13.93396476    -11.64605870
  H     13.54672553     12.85578585     -8.72840426
  H     11.33078037     10.59485878    -14.53939232
  O      9.17483207     10.74708810    -10.36351902
  H     14.60688885      9.55637990    -17.16654768
  H     11.24138503     11.52281672    -15.76158805
  O     13.48161801     12.60604183    -13.91264852
  H     15.04021775     10.78510357    -16.34970888
  H     14.20816179     11.86095089    -10.35463532
  O     14.71839265      8.76550040    -11.40073861
  H     11.50969409      8.84114432    -13.23811167
  H     15.60475417     11.61559229     -9.74528672
  O     13.63786631     15.13829619    -12.75482122
  H     12.80808067      8.76647001    -14.09453545
  H     16.35497138     11.30809200    -14.02420093
  O     12.81299411      8.40013903     -9.42626668
  H     12.35863591     10.65392629    -11.60852182
  H     14.87967685     11.63236484    -14.36964493
  O     17.51948221     11.99424086    -12.74681077
  H     13.28129265     11.63381038    -12.39510468
  H     12.89022490     11.01850417    -17.37630524
  O     11.10956286     11.50034660    -14.80519286
  H     11.72683090     11.55172922     -8.45613016
  H     11.82521884     11.63305666    -18.31274995
  O     14.83931940     12.20558327     -9.70275132
  H     11.86452900     10.03296331     -8.74668834
  H     17.15520258     10.86112847    -11.20971181
  O     15.61394503     11.03351781    -14.57664824
  H     15.25459474     14.43344489    -12.04668393
  H     16.25085031      9.71121510    -10.72630185
  O     11.93519780     11.17949949    -17.48136020
  H     15.59252445     13.47363231    -10.88762451
  H     12.06815832     13.96211571    -10.02382544
  O     16.81970006     10.42718462    -10.41536133
  H      8.32519411     10.71731811     -9.93305058
  H     11.28648324     13.73607380    -11.34997311
  O     11.89883971     14.33447936    -10.89408838
  H      9.84866090     10.80018312     -9.66064877
  H     11.62980624      9.26279404    -17.20527476
  O     11.69615314      8.36017608    -16.87143845
  H     13.47759267     13.52944928    -13.63239159
  H     11.58402957      8.43459319    -15.91227941
          69
 Energy    -248.57090854438917     
  O     17.83168488     11.15138896    -16.09294518
  H     17.44981310     10.28655087    -15.86482110
  H     18.47817145      4.78152456    -13.58336571
  O     15.45912034      5.61631831    -15.08766267
  H     18.78123889     10.98845064    -16.20434030
  H     20.45273324      9.78886910    -17.17655415
  O     18.23190472     12.54712746    -10.66372711
  H     16.23081799      5.55929531    -14.51557282
  H     20.32498713      9.37068662    -15.70359373
  O     19.50929842      7.79609028    -14.64887635
  H     15.80379701      5.84623735    -15.96434063
  H     16.37279025      8.63003828    -14.65832230
  O     15.35712836      8.60578218    -19.01185126
  H     18.22711759     12.40414860    -11.62006188
  H     16.75161142      8.01189983    -16.04805507
  O     17.06552690      9.31140848     -9.46579814
  H     17.32419769     12.39488725    -10.37294013
  H     14.94840381     11.62397991    -14.61529950
  O     15.23833871      8.66994121    -13.21444536
  H     19.66644077      8.24018016    -13.80341410
  H     15.90324755     11.66801571    -15.82277991
  O     18.05371737     11.50850210    -13.28424002
  H     18.64423332      8.12018845    -14.95531933
  H     16.39624299      7.89480116    -12.14511729
  O     13.38247764      7.33764243    -14.77939780
  H     14.79775741      8.87203908    -18.25793576
  H     17.39543786      6.71590385    -12.12898055
  O     19.33924829      6.74283002    -17.36284976
  H     14.78562010      8.54768246    -19.77241885
  H     13.67357951      8.65328416    -16.16553650
  O     16.58483659      6.70263892    -17.35002839
  H     17.03103790      8.57323922    -10.08763751
  H     14.22755847     10.08870461    -16.39279378
  O     17.99873420      5.60783718    -13.58270427
  H     17.98841045      9.59221653     -9.43646230
  H     19.25200971     11.25964020    -10.04799845
  O     20.38581656     10.14024590    -16.27826289
  H     15.11557484      9.61577563    -13.05580452
  H     20.41142303     10.67480627     -9.20459795
  O     17.02548335      8.64132346    -15.36898154
  H     14.45406203      8.30722815    -13.64407560
  H     19.61223914      9.55804157    -11.44427334
  O     14.98221643     11.53083315    -15.57546630
  H     18.08004786     11.54528822    -14.24680765
  H     18.53281819      8.61288300    -12.02508658
  O     17.13347161      7.50748984    -11.64631466
  H     18.50359294     10.69586653    -13.01525060
  H     15.06357754     11.77824783     -9.20159721
  O     13.93609252      9.28311268    -16.84460131
  H     12.55475358      6.87972414    -14.66149363
  H     16.06201717     10.72911045     -9.74549098
  O     19.70402267     10.43399348     -9.79608498
  H     14.07144886      6.65582443    -14.88287279
  H     20.57360485      9.16501704    -19.68849610
  O     19.28662844      9.17174790    -12.26659310
  H     19.61201843      6.98028347    -16.47009621
  H     19.24319601      9.43274575    -18.94189951
  O     15.61272425     11.56815966     -9.95213788
  H     19.67215066      7.44570449    -17.93735672
  H     15.24847724     11.51636509    -11.79146593
  O     20.11676878      9.00712330    -18.86705739
  H     17.54347540      6.64244457    -17.47880608
  H     16.27849060     11.45314154    -12.93587184
  O     15.33091332     11.38092026    -12.74324973
  H     16.20879182      7.25006352    -18.04958525
  H     16.86744483      9.69798948    -18.94436015
  O     17.68711208     10.19706412    -18.83692044
  H     18.58512460      6.26329019    -13.98796441
  H     17.61091938     10.67713710    -18.00505244
          69
 Energy    -248.57074752376417     
  O     15.18878765      6.14332015    -13.90629387
  H     16.03843259      6.03305537    -13.45755732
  H     19.89790122      7.00932568    -14.22247207
  O     18.10532920      8.84386243    -11.58002048
  H     14.54602599      6.39837039    -13.22844069
  H     15.60876153      7.86497640    -14.29809910
  O     18.23726669      9.79550910    -15.36009733
  H     17.96831033      8.73869299    -10.63006730
  H     14.94271127      9.16122104    -14.83696297
  O     11.76129452      7.69129377    -16.03721277
  H     17.56909354      9.59193893    -11.87141784
  H     11.14135198     11.14868378    -12.77395910
  O     14.82995058      8.67170827     -8.88352227
  H     17.41623808      9.34799298    -15.10166178
  H     11.53232476      9.66687226    -13.00824522
  O     13.51978666      7.14438153    -11.93056698
  H     18.01864988     10.73309455    -15.35257570
  H     17.11826409      5.73829686    -10.85200315
  O     16.33798140     10.75637395    -12.68948553
  H     11.15098456      7.49072275    -16.74115270
  H     17.17736317      6.51105223     -9.51862602
  O     15.96396658      8.17507545    -17.90692319
  H     12.57662014      7.18858130    -16.21911473
  H     11.91927178      7.54274554    -12.79117271
  O     14.14469312      5.94601939     -9.49373249
  H     14.46622044      7.78214967     -8.97226987
  H     11.31039465      7.76398526    -14.19789854
  O     18.35349754      7.45576578    -16.82060590
  H     14.50853871      9.17297812     -9.64530704
  H     19.57193614      8.73519251    -12.76390668
  O     14.12273408      6.50645556    -16.46989454
  H     13.63472542      6.65641839    -11.10503104
  H     19.56034613      9.14489427    -14.23784092
  O     19.62474572      6.13689262    -14.56142186
  H     13.79248832      8.05563345    -11.75541626
  H     18.30240382      6.07273523    -13.24436399
  O     15.75918519      8.80216798    -14.46609834
  H     16.54866727     11.46049951    -13.31088671
  H     17.74786041      7.16590602    -12.29339399
  O     11.88524174     10.57255843    -12.92658185
  H     16.11182128      9.99712561    -13.25462383
  H     17.90362442      8.57208020     -8.06735808
  O     16.80687170      5.72423410     -9.93740653
  H     16.81065074      7.85378484    -17.55055422
  H     16.56151439      8.50688394     -8.83718355
  O     11.19886061      7.98269651    -13.26397673
  H     16.00663266      8.04402058    -18.85163708
  H     15.62446831     10.03646364    -17.30852992
  O     20.06461066      8.63387598    -13.58891997
  H     15.09200246      5.77787593     -9.64941851
  H     14.50956911     10.69631358    -16.48490357
  O     17.61808925      6.25259175    -12.58792480
  H     13.81514818      5.21822779     -8.97422973
  H     13.31452650     10.21073902    -11.78296364
  O     17.51441420      8.31352482     -8.89814175
  H     18.48748070      8.34048210    -16.44948152
  H     14.86371648     10.27648840    -11.71295166
  O     15.33560847     10.88512990    -16.95229117
  H     18.71985492      6.85157934    -16.16643603
  H     17.01955920     13.14933435    -15.44324830
  O     14.08581657      9.85229653    -11.32626548
  H     14.76650198      7.04678183    -16.94397678
  H     16.31478840     11.82543721    -15.81046863
  O     16.87541494     12.25685442    -15.14029759
  H     14.53655226      6.23033339    -15.64056414
  H     12.73789922      9.22165587    -15.64039930
  O     13.29703200      9.94099849    -15.31820409
  H     20.41639341      5.60981188    -14.63181344
  H     12.86427543     10.29413842    -14.53221404
          69
 Energy    -248.57070691028116     
  O      1.21449836      3.86355806     15.64232560
  H      0.73866916      3.59065292     14.84548498
  H      2.36731601     -0.65338996     16.03125848
  O     -1.81067888      2.50559400     11.16569494
  H      2.04768441      3.37462773     15.69625676
  H     -0.10267030      5.04433024     19.26287407
  O     -2.04749273      4.59872242     17.13163806
  H     -1.82018021      2.81645905     10.26466697
  H     -1.35815984      4.53246588     20.00651593
  O     -4.19548244      2.80884157     12.44825030
  H     -2.69709071      2.67735175     11.53206456
  H      2.15208409      1.56891972     19.07061219
  O     -2.22314776     -0.13951854     12.26716677
  H     -1.32780740      5.24038406     17.16555405
  H      2.74663141      0.34627240     18.33972743
  O      3.48246766      2.35409516     16.11072376
  H     -1.61680258      3.73104043     17.21974734
  H     -0.08799127      1.07457461     13.82254674
  O      0.43109520      5.80804449     17.45721113
  H     -4.53809646      1.93910311     12.68749676
  H      0.89303680     -0.04995203     14.27012182
  O     -3.27780560      4.25939803     19.52597908
  H     -3.85878034      3.17548569     13.27895915
  H     -3.05701007      0.50231776     16.15655662
  O     -0.32153706     -1.43861194     18.43290860
  H     -1.42577448     -0.25432550     12.80228599
  H     -4.31665884      0.64344240     15.27239366
  O     -2.98778697      3.32641383     14.89892235
  H     -2.06106190      0.65557097     11.74590785
  H     -1.97800650     -0.06594124     21.18507446
  O     -4.65252863      0.14375978     13.46607257
  H      4.42093541      2.51290021     16.05688929
  H     -2.29205699      0.63255098     19.84310753
  O      2.39814857     -0.16532432     15.19869430
  H      3.30295289      2.02312713     17.01110778
  H      2.69987964     -2.21733624     18.01941262
  O     -0.39710423      4.59310536     20.06250115
  H      0.93440841      6.61268107     17.36238211
  H      1.36389750     -1.44063943     18.04557242
  O      2.88052412      1.28962480     18.50056901
  H      0.78854598      5.17878020     16.80790748
  H     -0.76311865      2.84909066     12.72333995
  O      0.01296880      0.11651487     13.90106336
  H     -3.97989587      4.87064087     19.73639436
  H     -1.34319460      3.02488365     14.13537244
  O     -3.90244402      0.97382644     16.07938247
  H     -2.97031547      4.48226656     18.63058703
  H     -3.79484100      1.34149316     17.99588907
  O     -1.57697681      0.24218392     20.37655031
  H     -0.76200850     -1.10140124     17.63954601
  H     -3.54812355      2.39411018     19.11728167
  O      2.30092108     -1.38335777     17.78669081
  H     -0.72791845     -0.97131502     19.17117235
  H      0.27235317      2.91884028     20.07874484
  O     -0.51192529      2.89817810     13.65425900
  H     -3.32330519      2.52648878     15.32921964
  H     -0.13643208      1.40874880     20.16148710
  O     -3.52215065      1.45158087     18.91436338
  H     -2.78560786      3.95422344     15.60290841
  H      0.20436911      2.75316050     16.72587169
  O      0.54658249      2.01755963     19.85249556
  H     -3.78364506     -0.03245662     13.06150002
  H     -0.08588801      2.19842889     18.15635551
  O     -0.46583668      2.33052931     17.27759463
  H     -5.23721048     -0.54587944     13.16275107
  H     -1.06123177      0.76865770     16.66811232
  O     -1.38320529     -0.05796991     16.27535895
  H      2.82392898      0.67460582     15.40353581
  H     -0.93224996     -0.14365512     15.42542470
          69
 Energy    -248.57047522805212     
  O     11.62505469      5.23113821    -13.28398670
  H     12.12545656      5.67641456    -13.98201225
  H     19.77804888      8.38870611    -14.52375856
  O     16.97584971      6.44618546    -12.28689856
  H     12.18981171      4.51087402    -12.98001854
  H     15.70206244      9.83708450    -16.41473926
  O     17.59215232     10.72854697    -11.70375662
  H     16.85876708      7.28589331    -12.76001535
  H     14.34903018      9.56853875    -15.70731338
  O     17.49711644      9.97163745    -15.90768984
  H     16.45764235      5.79113582    -12.77195736
  H     16.92239426      9.15005273    -14.33812131
  O     13.60008156      3.43628767    -12.15989563
  H     17.90211502     11.29910749    -12.41294531
  H     16.94474695      9.46067754    -12.81544850
  O     15.13935828     10.78854364    -10.48731759
  H     16.71104673     10.98950368    -11.39291975
  H     11.23693493      6.30237128    -11.95323992
  O     15.21080493      7.11812170    -10.21015538
  H     18.01854300     10.60986995    -15.40313363
  H     10.19147626      6.86958662    -10.96576970
  O     16.89441625      5.98352827    -15.99562194
  H     18.07840194      9.22937614    -16.12322772
  H     18.45451487      9.70873254    -10.49010190
  O     16.37802980      9.02747855     -8.53691889
  H     13.48088108      2.53891910    -11.86128027
  H     19.12189828      8.32736047    -10.34471401
  O     19.03790962      7.62570947    -16.09925430
  H     13.50281628      4.00758595    -11.37639504
  H     12.44947414      5.70961314    -10.30718368
  O     15.33212741      4.87440436    -13.84861767
  H     14.36075792     10.29789807    -10.77559026
  H     13.96089471      5.79735866    -10.03321880
  O     20.05848770      8.89461381    -13.75026248
  H     15.48559060     10.29541426     -9.73205010
  H     19.77880739     12.05053907    -14.16408464
  O     14.78744895      9.56359671    -16.56804114
  H     15.87804268      6.87257826    -10.86376389
  H     19.48727381     10.55713305    -13.88130025
  O     16.60049202      8.84901569    -13.48054391
  H     15.62598203      7.70431552     -9.56498572
  H     20.09051036      6.21901903    -11.47105960
  O     11.12560372      6.85012664    -11.15548243
  H     16.17007396      6.28560451    -16.55902094
  H     18.67406945      6.70408860    -11.85602005
  O     18.74077475      9.05186446     -9.83693477
  H     16.48805944      5.47118101    -15.28759049
  H     13.50729911      7.40277365    -14.60777541
  O     13.22625667      5.17233342    -10.11111106
  H     16.47838855      9.13716656     -7.59550107
  H     13.69373386      6.59410234    -15.91719113
  O     19.07031989     11.42057727    -14.06183472
  H     17.27457695      9.01867821     -8.91862613
  H     12.38977796      8.24971507    -11.18152211
  O     19.57493942      7.00277591    -11.64400548
  H     19.60701734      7.28337947    -16.78377237
  H     13.90715007      8.21039176    -10.92583024
  O     13.39700568      6.52502736    -15.00265075
  H     18.29558160      7.00023761    -16.01890015
  H     13.49407301      9.02912202    -13.03606320
  O     13.19284977      8.78100951    -11.24595149
  H     14.66628954      5.46609132    -14.22962145
  H     14.84690018      8.95854446    -13.75723088
  O     13.89237474      9.01325171    -13.91558184
  H     14.84026461      4.25330865    -13.29733982
  H     14.39188549      6.96894987    -18.37033046
  O     14.68112937      7.01454216    -17.46340863
  H     19.96527966      8.29872096    -12.99795415
  H     14.71444359      7.95872509    -17.22343484
          69
 Energy    -248.57040856419462     
  O     -3.27241755      1.37609826     -0.26438137
  H     -3.60374822      0.97202938      0.55087071
  H      0.43269005     -5.18685072     -1.82147378
  O     -3.52045365     -1.09296399      6.49020998
  H     -4.03064361      1.44834461     -0.84074813
  H      0.31867127     -6.31609594      1.58660372
  O      0.77187648      0.83074564      1.30356656
  H     -3.78226359     -1.99716973      6.70298402
  H     -1.18061244     -5.97095185      1.59782827
  O     -3.97996471     -0.07465774      2.05948698
  H     -4.14509143     -0.78995075      5.81880181
  H      2.07355398     -1.39479534      3.31938305
  O      1.60427403     -1.84811216      5.12118266
  H      1.28330752      1.63340019      1.25108456
  H      2.19646567     -1.98959806      1.89535059
  O     -4.05042366     -3.91228650      6.66132371
  H      1.35920117      0.14437716      1.66787326
  H      0.00795902     -3.01704027      1.66303824
  O     -1.08721739     -1.39193136      5.27662422
  H     -4.12390928     -0.86010585      1.50508434
  H     -1.29627260     -2.69286071      0.88247640
  O      1.06990695     -4.62935455      4.84367767
  H     -3.05536190     -0.08335708      2.34730602
  H     -1.86495483     -4.14587225      2.37146652
  O     -5.58204189     -3.29346820      4.33822214
  H      0.66259985     -1.63979124      5.24747470
  H     -3.23814089     -4.88503737      2.44079719
  O     -0.94282784     -0.09756430     -0.82465342
  H      2.07076613     -1.45321159      5.85423843
  H      1.33175836     -3.85773609      0.23998914
  O      1.86933740     -5.92561354      2.62408719
  H     -3.19760799     -4.09298364      6.23027856
  H      1.86850283     -4.38415138      1.59478044
  O      0.17896175     -4.66790258     -1.06280965
  H     -4.12450713     -4.52131992      7.39120677
  H     -5.25664444     -4.11936329      2.86235534
  O     -0.46846337     -6.29010358      1.02790638
  H     -1.18638085     -0.91682365      4.43893132
  H     -5.69933228     -5.17685948      1.82095509
  O      2.23991582     -1.16475800      2.39765889
  H     -1.87586622     -1.20009585      5.80399673
  H     -0.67181003      0.27642665      2.34280673
  O     -0.91869855     -2.77154367      1.77136595
  H      1.37527292     -3.72057610      4.95411327
  H     -1.19706872     -1.17379997      2.43593956
  O     -2.30857957     -4.94640352      2.69438720
  H      0.13771745     -4.62342346      5.09318601
  H     -1.16652355     -3.30585037     -1.09318407
  O      1.70454291     -3.57864165      1.08575153
  H     -5.57828270     -2.32829349      4.33768944
  H     -1.46913985     -1.76646535     -0.95313150
  O     -4.99650855     -4.57066663      2.03842398
  H     -5.14260255     -3.56364055      5.15356298
  H     -6.06884211      0.17753802      4.44841457
  O     -1.32477801     -0.27715347      2.78703084
  H     -0.28988164      0.21079347     -0.18683790
  H     -4.89677558     -0.27033361      3.54813442
  O     -1.83116402     -2.66055255     -0.82724381
  H     -1.72212046      0.46252206     -0.69805227
  H     -1.94855036     -4.48826693      4.39196963
  O     -5.35799212     -0.45534579      4.38379581
  H      1.58460237     -5.50777670      3.45713756
  H     -1.49796873     -3.21264362      5.18479476
  O     -1.70066933     -4.15577775      5.26787081
  H      2.57356383     -6.52843724      2.84582268
  H     -3.52257475     -2.47907774     -0.07190320
  O     -4.27419129     -2.27803812      0.50151584
  H     -0.11128468     -5.29617229     -0.37639535
  H     -4.53520161     -3.10130739      0.92989626
          69
 Energy    -248.57013009161534     
  O     14.14815808     10.16792246     -9.33948294
  H     14.96045684      9.85327288     -9.76168600
  H     11.93846257      5.04381686    -15.90161225
  O     16.96944111     13.15018431    -12.72624351
  H     14.29377882     11.09829773     -9.12934366
  H     15.09418945      5.82740173    -10.67992651
  O     11.29669681     11.18825738    -15.25257966
  H     17.72120546     13.71151274    -12.89495311
  H     13.58813547      5.53796729    -10.94148715
  O     10.55499337      9.04261121    -13.42625563
  H     17.14008755     12.69882522    -11.87988083
  H     11.53184509      6.15331569    -11.19418818
  O     12.92558847     11.95395699    -13.08548316
  H     12.11750929     10.91654040    -15.70030667
  H     11.27120338      5.41719281     -9.86382862
  O     15.43192130     11.28485084    -14.14398807
  H     10.76708664     11.64406766    -15.90115478
  H     15.24909812     13.74240873    -12.03900552
  O     14.81258558     12.87934065     -9.07455286
  H     10.99018506      9.38459231    -12.63303203
  H     13.78468492     13.26866073    -12.11843772
  O     16.56487453      9.19054584    -10.44467966
  H     10.70951225      9.70488638    -14.10811693
  H     13.70205183      9.44321443    -16.07719612
  O     15.00213205      4.81647877    -13.98625716
  H     12.70799930     11.25916815    -12.44683270
  H     14.41349731     10.75605246    -15.69885929
  O     17.22775096     11.92762719    -10.31208851
  H     12.30117603     11.85726376    -13.81403565
  H     16.50922932      6.21939119     -8.57433416
  O     13.97426878      8.00402476    -12.65422108
  H     16.03193844     11.95333255    -13.78880457
  H     15.18088520      6.93923792     -8.92259036
  O     12.40305802      5.35075538    -15.12653542
  H     14.56310956     11.47716524    -13.76117861
  H     10.75880595      7.27441386    -13.08754542
  O     14.46325674      5.54466811    -11.35362916
  H     14.59710470     13.25596384     -9.94700729
  H     11.39630228      5.94964515    -13.57531351
  O     11.90489641      5.97120027    -10.31256433
  H     14.65141764     13.56391733     -8.43124146
  H     16.01810541      6.05515367    -14.68089283
  O     14.39720189     13.79922089    -11.59012730
  H     16.65855919      9.07745164    -11.40143894
  H     17.11940246      6.46428710    -15.68944561
  O     13.70211037     10.39603548    -16.24312912
  H     16.52999645      8.30866065    -10.05550642
  H     13.66890587      7.87999646    -14.45627097
  O     16.04055499      6.65133409     -9.28348433
  H     14.11758562      4.81119912    -14.37120899
  H     14.71338439      7.44937284    -15.50188650
  O     10.98515127      6.37253432    -12.81484407
  H     14.87280502      4.93643434    -13.03481762
  H     12.91518716      7.15449651     -9.13051468
  O     16.45931505      6.81737061    -15.09908506
  H     17.13910988     10.96574829    -10.28991864
  H     13.62839065      8.47557150     -8.71568267
  O     13.79159792      7.72273031    -15.40586824
  H     16.51227417     12.27283115     -9.76389862
  H     16.64057670      8.25594516    -13.88339706
  O     13.59544240      7.52293315     -8.55406626
  H     14.86263910      8.36783457    -12.76646733
  H     16.20807143      9.74441750    -13.62042268
  O     16.52497988      8.92935698    -13.20180305
  H     14.07893435      7.14145287    -12.23526241
  H     12.86487551      9.14661526    -11.88250856
  O     12.35920784      9.83794389    -11.42551716
  H     12.79902297      6.20665413    -15.36032697
  H     12.84882616     10.02033794    -10.61423630
          69
 Energy    -248.57007489487748     
  O      1.36015722      1.61960952      2.51171786
  H      1.43207996      0.70198084      2.22704924
  H      1.52954695     -5.61529625      2.64616420
  O      1.21312084      2.97203273      0.01375064
  H      1.37880782      2.14744894      1.70263252
  H     -5.49841066      1.61552332      3.87602058
  O     -1.97043066     -1.88072526      4.25356096
  H      0.24742647      3.07271791     -0.07734082
  H     -4.79827354      0.47382582      3.10492945
  O      0.98850317     -3.97011180     -2.23849839
  H      1.60847262      3.77563269     -0.31216876
  H     -2.83306559     -0.20957801     -0.78635422
  O     -1.73774269     -1.25954167     -3.90889591
  H     -1.02763730     -2.10136022      4.29826808
  H     -2.63768500     -0.56113176      0.69863903
  O      1.03787307     -1.43823796     -3.18086168
  H     -2.13581709     -1.10371074      4.80696570
  H     -0.92567457     -3.88408896     -2.47424677
  O     -2.42774794      2.42208582      2.34357183
  H      1.09050564     -3.06867473     -2.59452042
  H     -2.18273131     -3.65576830     -1.61454279
  O     -3.67935445     -3.42490391      2.81887090
  H      1.59423004     -4.52715039     -2.71924380
  H     -1.79370277      0.69950705      2.18315905
  O     -1.69985596      0.69890464     -1.89872551
  H     -2.18042613     -1.35630973     -4.74775426
  H     -1.76974593     -0.73443807      2.82636548
  O      0.97553651      0.36986016     -1.03316150
  H     -1.86468336     -2.09611944     -3.42691652
  H      0.61383163     -3.74085416     -0.45646901
  O     -4.97687673     -0.94619215      2.10541899
  H      1.14089748     -0.76559804     -2.49396321
  H     -0.66273162     -3.48627437      0.39868439
  O      0.93544555     -4.88450934      2.79786012
  H      0.16363123     -1.29769459     -3.56486826
  H      0.82532021     -3.32194703      3.74821779
  O     -4.64104848      1.28013968      3.62770642
  H     -1.80547047      2.61160981      3.05957152
  H      1.00723710     -1.86682313      3.29580428
  O     -3.21994307     -0.71664257     -0.06310596
  H     -3.26430626      2.15607753      2.74817560
  H      0.06117151     -0.70521118      1.61603231
  O     -1.84853007     -3.60460083     -2.51870349
  H     -3.99690722     -4.15795239      3.33993302
  H      0.85452542     -1.92497035      1.07937061
  O     -1.55230466     -0.22312522      2.03569410
  H     -3.05998630     -2.92988400      3.38425668
  H     -0.05994308      3.05216967      4.94379551
  O      0.30301953     -3.54696624      0.43658275
  H     -1.79314826      0.13857858     -2.67959553
  H      0.21359920      2.11535410      3.74710052
  O      0.70075802     -2.40409775      4.03235488
  H     -0.79459312      0.56555979     -1.58269884
  H     -1.75029785      1.17997066      5.10459897
  O      0.95828479     -1.02356150      1.41511214
  H      1.18818810      1.27866692     -0.78681377
  H     -3.24339728      0.84993673      4.87506020
  O     -0.48089417      2.43735267      4.34843533
  H      1.03796439     -0.15196859     -0.22266953
  H     -2.75929147     -2.44719866      0.02398506
  O     -2.45301972      0.56691666      5.35239717
  H     -4.69046082     -1.82156828      2.39080039
  H     -2.88876611     -3.54732028      1.09174573
  O     -2.47268271     -3.34640426      0.24520622
  H     -4.57168499     -0.81536239      1.23716157
  H     -1.91002231      2.84994274      0.60559904
  O     -1.46910577      3.01489669     -0.23870873
  H      0.73483397     -4.51446178      1.92369139
  H     -1.74391702      2.31978447     -0.84926673
          69
 Energy    -248.56966567298821     
  O      9.81259689     12.14440019    -10.41151541
  H     10.09062039     11.83458304    -11.29014673
  H     13.07780478     13.53780532    -13.06180912
  O     12.82731853      9.12794024    -16.29921628
  H      8.88405734     12.35365875    -10.47481004
  H     16.43368728      8.95095754     -9.64505993
  O     11.14849406      7.49381432    -10.53848153
  H     12.78297919     10.09063788    -16.35394158
  H     16.57960033      8.43892982    -11.09647515
  O     14.11895410      8.46044186    -13.97432873
  H     11.91507919      8.83106168    -16.19168114
  H     15.20154090      7.52510248    -12.95134442
  O     12.49297256     11.99265469    -16.25100936
  H     10.96035081      8.25014068     -9.96676798
  H     16.22401246      6.39290623    -12.70064882
  O     11.43026690      8.53811053    -13.04185350
  H     12.06689841      7.25397952    -10.35108076
  H     14.32930708     14.41150609    -11.41661784
  O     15.43012644      8.36002277     -8.08386528
  H     13.75883029      8.58085837    -14.86480889
  H     13.66059198     15.73126276    -11.87073099
  O     13.51832266     10.11987161    -10.66737032
  H     14.43039072      9.33256906    -13.68512892
  H     14.43752387      7.52170677     -9.39030875
  O     13.37233368      9.95042526     -7.29213835
  H     12.79452951     12.64302606    -16.88084390
  H     14.54801947      7.09478136    -10.88241304
  O     15.63478412     13.61481582    -10.61129989
  H     12.70043841     12.34239715    -15.36919486
  H     18.14263409     11.59114561    -11.96915722
  O     11.17422429      9.96138588     -9.16549809
  H     12.36510920      8.45128275    -13.26467156
  H     17.13978172     10.69286951    -11.20854430
  O     12.90848459     12.77374006    -13.62824832
  H     11.27705221      8.10952137    -12.18694227
  H     11.01448612     10.31594794    -12.78515316
  O     16.86575336      9.13108863    -10.48835400
  H     14.70744820      8.92387548     -7.75485528
  H     10.28292297     11.34376720    -13.68534401
  O     15.77342852      7.11889673    -12.27699685
  H     15.86490296      8.00142394     -7.31469552
  H     13.31770186     12.75811293     -8.94052040
  O     13.53299514     14.78692444    -11.83615444
  H     13.69629166      9.17854285    -10.54650120
  H     13.96215865     11.44242341     -9.44441889
  O     13.92245291      7.32822938    -10.18521454
  H     13.96522485     10.39143135    -11.47698575
  H     14.28083837     11.64374628    -13.26084936
  O     17.22871522     11.52626301    -11.70532704
  H     13.67118323     10.82676046     -7.57501631
  H     15.68147285     11.21975320    -12.67457851
  O     10.72788039     11.23820138    -12.83093250
  H     12.50519738      9.84436446     -7.70159817
  H     10.63757263     11.57064745    -15.85334892
  O     14.07880746     12.16946562     -8.81494465
  H     16.27409450     12.98543250    -10.96221434
  H      9.80379963     10.31259419    -15.55051258
  O     14.84066142     10.89456332    -13.01778534
  H     15.20778976     13.16778894     -9.86584308
  H     11.20506045     13.29885797     -9.85754001
  O      9.82887630     11.27024373    -15.42023047
  H     11.95233178     10.06639855     -9.73557794
  H     12.36406034     14.18398016    -10.37952632
  O     11.99121988     13.78734811     -9.58385660
  H     10.58598276     10.68476828     -9.40733399
  H      9.60888454      7.67855309    -15.56899276
  O     10.16719000      8.44535700    -15.47169178
  H     12.15712403     12.28732301    -13.25760178
  H     10.53898130      8.40880432    -14.57298808
          69
 Energy    -248.56956705199545     
  O     -0.45054764      3.31883129      2.87301784
  H     -0.96544802      2.80135262      2.23758025
  H     -2.26515977      7.73260963      0.85412489
  O     -3.14036434      4.52581608     -0.29976592
  H      0.36802666      2.84358720      3.05921334
  H      2.65326467      2.86431864      0.22701330
  O      2.33569715      7.71299771     -0.31472625
  H     -3.24410664      5.11622528      0.45726397
  H      1.64342031      1.73061293     -0.06726491
  O      0.66721704      7.85704199      1.85305136
  H     -2.44475631      4.90907476     -0.85476447
  H     -0.35303472      4.19141976     -2.64308518
  O     -0.91443475      5.49386576     -1.58344378
  H      1.61253981      7.80535412     -0.94777182
  H     -0.75789596      2.94387972     -3.48180045
  O      2.79038426      4.81008506     -0.05141836
  H      2.64223795      6.80120121     -0.36810745
  H     -0.74420632      8.30215159     -1.01434462
  O      0.21894265      5.21622053      0.87236134
  H      1.38876316      7.91390291      1.20815829
  H     -0.28429517      8.90219855     -2.36531357
  O     -3.19400235      6.33543853      1.86146407
  H      1.02919552      7.59847713      2.70823715
  H     -2.34709543     -0.22615403     -1.62213586
  O      0.13493795      1.48938952     -1.09686321
  H     -0.51678588      5.35135517     -0.70903834
  H     -1.64330565     -1.36703359     -2.39701128
  O     -1.32624014      5.75946723      3.77686637
  H     -0.70173317      6.40230592     -1.82955919
  H      2.76046379      3.91418554      3.05482504
  O     -1.82348236      2.24248920      0.75475171
  H      1.86641856      4.90818219      0.22908706
  H      3.13248421      4.88840257      1.91936542
  O     -1.64195621      8.36481747      0.48185738
  H      2.79238566      4.62313628     -1.00342946
  H     -4.05842144      3.45022532     -1.41098593
  O      2.37576314      1.98580864      0.50963921
  H      0.27028864      6.09758871      1.26531248
  H     -5.27526124      3.13712891     -2.30835796
  O     -0.00061380      3.41953057     -3.11137991
  H      0.01067051      4.59015389      1.57573777
  H     -2.04040154      1.07422994     -3.36176321
  O     -0.16923511      8.15247516     -1.78774678
  H     -2.52507137      6.15921025      2.54617338
  H     -3.01141812      2.26030890     -3.23534116
  O     -1.60254951     -0.43234647     -2.21525129
  H     -3.97511363      6.63023701      2.32411246
  H      2.46418228      1.39999552      3.62833529
  O      2.98381752      4.83535458      2.87008403
  H      0.14992675      2.16297926     -1.79102513
  H      2.21090556      1.98344136      2.21455511
  O     -4.43088721      2.79546612     -2.02418018
  H     -0.32236271      0.72410301     -1.46762439
  H      1.73505951      3.88539859     -2.96890589
  O     -2.23847513      1.94792553     -3.72095702
  H     -1.10783495      4.83030479      3.60846299
  H      3.19421528      3.98070756     -3.44534079
  O      2.07979685      2.14065422      3.16833032
  H     -0.49162710      6.16713125      4.02990512
  H      1.89693983      6.90487411      5.01359440
  O      2.62178708      4.18069724     -2.70891372
  H     -2.26992943      3.03080684      0.41762059
  H      2.01450501      5.99010460      3.77379442
  O      1.44065494      6.63768668      4.22022453
  H     -1.11806403      2.01940820      0.12997281
  H     -3.04974437      0.95562180      0.07249164
  O     -3.57704038      0.47405833     -0.57959678
  H     -0.86865272      8.33390561      1.06743615
  H     -4.03534956      1.15951450     -1.08205235
          69
 Energy    -248.56922850748907     
  O     12.34980026      9.68806689    -15.45026723
  H     12.60380836      9.07594211    -16.15177036
  H     15.72169814      5.77549240    -15.16156642
  O     16.77768128      6.84403975    -12.48214923
  H     12.91220936     10.46425251    -15.55695414
  H     21.12325928      8.61328758    -14.28300021
  O     17.35707698     11.20183391    -11.98156875
  H     16.03324634      6.88717346    -11.86533806
  H     19.75518717      8.15205321    -14.83185739
  O     16.42958167     10.18298347    -15.95430313
  H     17.47374894      7.42980768    -12.15440975
  H     15.89055536      8.05634538    -13.49748827
  O     13.95066873      6.24656522    -15.09406727
  H     16.45457903     11.21731604    -12.32921595
  H     14.68285810      7.90918138    -14.43031831
  O     14.64975412     10.24255636     -8.74643797
  H     17.29309358     11.42414491    -11.04408176
  H     10.37146960      9.10813096    -13.07191057
  O     14.54413022      7.25550960    -10.85599442
  H     17.23438520     10.55739761    -15.56711155
  H     11.67427031      9.23627660    -13.89293397
  O     14.77958999     11.04453417    -13.02322405
  H     16.06562753      9.57413282    -15.29232628
  H     18.38020913      8.68192242     -9.94103048
  O     16.05266036      7.78007835    -17.29096400
  H     13.36676661      6.19744813    -14.32160148
  H     17.80781233      9.77008525     -9.01713932
  O     15.70415648      7.60327349     -8.32793792
  H     13.46768102      6.62009481    -15.83784807
  H     12.05515596      7.22986979    -12.80249784
  O     18.92071145      7.17814070    -16.03626584
  H     14.89214673      9.34797221     -8.47696766
  H     13.20798682      6.53383407    -12.04613563
  O     16.68359049      5.85792573    -15.09177719
  H     14.03790939     10.14123560     -9.48757278
  H     19.22704049     10.35857857    -14.44735845
  O     20.18232732      8.71783594    -14.16587651
  H     14.88406737      7.24073419     -9.95227535
  H     18.27020272     11.27942661    -13.66209333
  O     15.26792810      8.56419106    -14.03369863
  H     14.14201464      8.12676727    -10.97815970
  H     18.19904860      9.58765218    -11.88009848
  O     11.31389237      8.96698968    -13.02973772
  H     14.88788912     10.12761049    -13.32944110
  H     19.27757473      8.68555746    -12.53595812
  O     18.01528412      8.82821334     -9.05858444
  H     14.53397891     11.54822781    -13.80629043
  H     16.12384701     11.13210236     -9.03488798
  O     12.56693657      6.41248066    -12.75810941
  H     16.27486744      8.66878978    -16.97625830
  H     17.11338634     12.24048550     -8.60269496
  O     18.59747971     11.08283101    -14.54950904
  H     16.27884102      7.17415326    -16.57435252
  H     14.25888217      7.80188343    -17.43841309
  O     18.66111127      8.74028795    -11.79560192
  H     16.57612177      7.96746512     -8.56508770
  H     12.95792095      7.55494780    -18.23349039
  O     17.00284365     11.51401969     -9.21013515
  H     15.83062411      7.06819397     -7.54932624
  H     13.76669165     10.34941214    -11.70624841
  O     13.28839928      7.80558450    -17.37454806
  H     18.24018185      6.58067986    -15.68972894
  H     12.47826012      9.51228377    -11.66400943
  O     13.24647020      9.76401317    -11.13695286
  H     18.57397853      7.48928516    -16.87263142
  H     14.28058432     12.62408210    -16.22646759
  O     14.24641945     11.83258432    -15.69585065
  H     16.83660641      6.05992261    -14.15694260
  H     15.04664909     11.31996543    -15.90366532
          69
 Energy    -248.56881003268552     
  O     15.19606589      7.53947507     -9.60762347
  H     14.94889949      6.64591058     -9.87393267
  H     17.30991466      7.30003496    -17.16916962
  O     15.49768526      5.10353625    -16.09982400
  H     14.74919470      8.12404226    -10.23542049
  H     17.40691788     11.07984424    -14.62964205
  O     18.02005855      9.37426147    -14.05642298
  H     15.77132058      5.74600674    -16.76558364
  H     16.89937354     12.25553493    -13.78668372
  O     11.07209314     11.07503279    -12.96878570
  H     16.28505684      4.93592554    -15.56861605
  H     16.12305397      7.06059869    -13.14619909
  O     16.94123086      5.69681178    -12.20178892
  H     17.21149213      8.86834427    -13.88484165
  H     15.17226470      8.25315593    -12.87565731
  O     11.63358095      8.25935501    -12.87753282
  H     18.32266548      9.67421617    -13.19143985
  H     13.88996533      5.19186902    -11.41868076
  O     16.34552398     12.37316999    -11.85531168
  H     11.19506508     10.98534169    -13.93224989
  H     14.34017432      4.20588666    -10.31625066
  O     14.43771520     11.22291879    -15.43728419
  H     10.26581987     11.56655106    -12.83770493
  H     18.52240491      4.16571283    -14.49878852
  O     12.88635743      5.09266213    -15.33045948
  H     16.18048875      5.34176690    -11.72483601
  H     17.62534979      5.13184948    -13.69147507
  O     14.81705587      8.56030474    -16.00790796
  H     17.36610930      6.35365140    -11.62638201
  H     12.16625943      6.45752003    -12.52518920
  O     12.20852533      7.83663862    -15.58248273
  H     11.80868319      8.13321219    -13.82258451
  H     12.74609519      5.38884358    -13.47389642
  O     16.52685066      7.21445144    -17.74398064
  H     11.28577151      9.15378800    -12.78465764
  H     19.05906534     10.84603789    -11.00455474
  O     16.98573176     11.94821139    -14.69506240
  H     15.43881722     12.12837441    -12.10341056
  H     17.61747438     11.06610667    -11.50653648
  O     15.75058538      7.85713929    -13.54140017
  H     16.28570817     13.23388797    -11.44653913
  H     18.51898283      8.08307287    -15.32872834
  O     14.61998834      4.96967827    -10.81365285
  H     15.31772260     11.61143890    -15.32955984
  H     18.44499857      6.53711793    -15.44174537
  O     17.92597187      4.90460132    -14.58851396
  H     14.58773365     10.30303964    -15.70086204
  H     16.94111187      7.69260510    -10.09447098
  O     12.64693403      5.62156166    -12.54215222
  H     13.82505412      5.09543861    -15.58811678
  H     17.97734310      8.59403096    -10.80319367
  O     18.32450806     10.40783037    -11.42966409
  H     12.49869068      4.31838356    -15.73077082
  H     11.68914040      9.71044160    -15.74873743
  O     18.54202873      7.34857690    -15.95601998
  H     15.15131229      8.22333881    -15.16179422
  H     12.56654344     10.98180558    -15.68381881
  O     17.79463685      7.68265883    -10.55607881
  H     15.36299834      8.17858125    -16.70462905
  H     12.89488371     11.55755208    -12.67603195
  O     11.66070086     10.66004059    -15.57703037
  H     12.25365539      6.87306318    -15.58619320
  H     14.06170447     11.45790973    -13.68803157
  O     13.85638182     11.58988958    -12.74917219
  H     13.11052124      8.12348422    -15.79353101
  H     14.05498534      9.93362761    -11.96515343
  O     14.03984653      9.00400405    -11.70825624
  H     16.83013407      7.30585120    -18.64247284
  H     13.20116948      8.65177844    -12.03712400
          69
 Energy    -248.56873823503508     
  O     17.44833621     10.20123968    -14.33177329
  H     18.14142200      9.54778265    -14.50052681
  H     18.20063410      3.94069676    -15.45512233
  O     14.32604371      6.63408689     -9.59370194
  H     17.01419861      9.93410767    -13.50684392
  H     15.12517533      6.56646226    -11.24689492
  O     12.39615634      8.51840077    -10.50843990
  H     14.23252038      5.93393981     -8.95358098
  H     14.94709260      6.77697446    -12.79835707
  O     15.13739323      9.46910312    -15.61874756
  H     14.76108166      7.37824859     -9.13737271
  H     17.79733688      7.28476355    -17.11429674
  O     19.42947050      8.28080554    -14.50660427
  H     12.95881495      7.80164099    -10.19247332
  H     18.96503726      7.44726454    -16.10131445
  O     20.93226648      9.82052674    -12.69174647
  H     12.68276877      9.31234946    -10.03926265
  H     17.60501628     13.03676902     -9.91231914
  O     18.22293832      6.36643814    -12.87917038
  H     15.98193027      9.78409194    -15.26199516
  H     17.50763288     11.53614992    -10.27037151
  O     11.79911382      8.74432413    -13.10668322
  H     15.35473119      8.98537409    -16.42500750
  H     15.66332620      6.92499064    -17.18890204
  O     14.52216350     12.27720802    -11.15714444
  H     20.08412606      8.76194292    -13.98577010
  H     15.71748825      7.60365265    -18.57899609
  O     13.81557801     10.71195674    -13.43612448
  H     19.02194612      7.63057823    -13.91410011
  H     15.81948146      8.47377079    -12.10926931
  O     13.43490925     10.78908979     -9.16664098
  H     20.34494455     10.59728634    -12.68839124
  H     15.15245766      9.84778410    -12.43738920
  O     17.81434378      4.76772855    -15.17860918
  H     21.82591116     10.15052624    -12.65748051
  H     18.52763689     11.46828075    -13.45445743
  O     15.59308608      6.69298408    -12.08214382
  H     17.32248558      6.46084089    -12.53682486
  H     18.57545359     12.16751686    -12.08436025
  O     18.57609025      6.84644799    -16.75255365
  H     18.16149925      5.70246985    -13.57785291
  H     18.30234232      9.20178140    -10.14780693
  O     17.37427767     12.43550746    -10.61689078
  H     10.85530870      8.75367286    -13.23818669
  H     16.94948645      9.69358490    -10.70689960
  O     15.96524091      7.71973385    -17.66530992
  H     11.95307611      8.63702210    -12.14974820
  H     13.12527174      7.67640925    -13.89045246
  O     15.96600847      9.42861159    -12.13290530
  H     15.48112681     12.37607541    -11.12397941
  H     14.40096046      8.04450512    -14.67943066
  O     19.13172386     11.86118515    -12.80962463
  H     14.29229915     11.93666915    -12.03095784
  H     20.07269781      8.63158687    -11.46216743
  O     17.55851356      9.79020747     -9.95624030
  H     13.03448350     10.15457069    -13.32525195
  H     19.15310017      7.39213573    -11.48120176
  O     13.95841258      7.31670005    -14.21811420
  H     14.19083854     10.47605713    -14.29491237
  H     16.22964866      9.14862993     -8.83701483
  O     19.49813460      8.08750183    -10.90877881
  H     12.95387528     11.37033763     -8.58332048
  H     14.75749651      9.55109806     -8.60439351
  O     15.39313056      8.83768336     -8.46561003
  H     13.81767748     11.34883916     -9.86458306
  H     15.99584488      5.24393050    -15.68060557
  O     15.21476396      5.62391216    -16.10083684
  H     18.13759490      5.44869612    -15.79660251
  H     14.69106184      6.03957000    -15.40336225
          69
 Energy    -248.56866194492096     
  O     13.07627598      3.33118354    -12.12704748
  H     12.26141827      2.82945299    -12.24900924
  H      8.35608107      8.64533179    -10.57312139
  O     13.02975048      3.56644293     -9.38260359
  H     12.89459753      4.22125116    -12.45706994
  H     12.19838070      6.60644772     -9.64942311
  O      8.63742902      6.83160916    -13.66007354
  H     13.20571159      3.42830313    -10.32538320
  H     10.79843531      5.98504991     -9.32033690
  O     15.26382269      7.36042206     -8.79518906
  H     12.57318879      4.41820259     -9.31851187
  H      9.04683619      6.44015037     -4.81488897
  O     12.24524653      6.02641692     -6.38012112
  H      8.88232898      6.03575357    -13.17031031
  H      9.43839883      7.13728172     -6.13859784
  O     10.45616990      2.06105282    -12.02693416
  H      9.44474484      7.12446687    -14.10133474
  H     11.53329637      2.48583703     -9.25734701
  O     12.23210270      5.98792023    -12.71571302
  H     15.11123319      6.48629681     -8.39327484
  H     10.12091970      2.53667695     -8.64071336
  O     11.32847136      9.55525607    -10.08356468
  H     16.20857092      7.46175526     -8.87766383
  H     14.21429786      8.22747436     -7.45482637
  O      7.80000844      9.01915140    -12.29949544
  H     12.06547916      6.10706300     -7.33250590
  H     13.13616666      7.69152557     -6.49409433
  O     10.50324537      9.86016807    -12.77839443
  H     11.39140255      6.11255280     -5.94217818
  H     14.25491151      4.34653441     -8.18276530
  O      9.78708468      4.76313067    -12.13121785
  H     10.17976713      1.21093578    -12.35777306
  H     13.94383098      5.21954055     -6.95264993
  O      8.81422785      8.37628036     -9.76787270
  H     10.46618474      1.99579249    -11.05523845
  H      9.09402456      4.99341710     -8.95801290
  O     11.72692529      6.00273594     -9.06267500
  H     11.94967929      6.57601618    -13.42751228
  H      9.20121616      5.23695919    -10.51160967
  O      9.49433431      6.29902952     -5.64475203
  H     12.65797050      6.55082466    -12.05417403
  H     12.66129463      8.40883831    -10.51100007
  O     10.64725436      2.09672293     -9.31400890
  H     11.50569284      9.96511689     -9.22834505
  H     13.98135093      7.64015558    -10.12347249
  O     13.55227041      8.50385012     -6.81034417
  H     10.47535575      9.10539602     -9.98989971
  H      9.44693485      4.77259170     -6.74609990
  O     14.64054405      5.00109827     -7.58406709
  H      6.96465093      9.33128007    -12.63606404
  H     10.69161650      4.13805212     -7.33315181
  O      9.01684751      5.65391168     -9.65625730
  H      8.01612738      8.20520529    -12.78998218
  H     12.39972539      9.73139607     -7.16747497
  O     13.21509367      7.63958904    -10.71139116
  H      9.55556813      9.73665228    -12.63993625
  H     11.88451642     11.17822797     -6.96838290
  O      9.73293501      4.09657291     -7.37749303
  H     10.89319335      9.90844590    -11.89660836
  H     11.00556333      8.62558273    -13.91445260
  O     11.69583208     10.35784768     -7.41558498
  H     10.64804282      5.17945835    -12.28565237
  H     11.46475087      8.23548048    -15.34015127
  O     11.16942909      7.87201485    -14.50977324
  H      9.92065330      3.80890392    -12.18817449
  H     10.17470339      9.24153696     -7.07096901
  O      9.44569753      8.61116646     -7.04517130
  H      8.79071913      7.40794559     -9.73887747
  H      9.08804192      8.58970922     -7.94271464
          69
 Energy    -248.56814884592734     
  O     16.99828437      9.99900926    -14.22292915
  H     17.47467475      9.34091145    -14.74477220
  H     14.75626988      4.23499818    -14.91578466
  O     14.45108297      4.61456507    -16.70434176
  H     17.21990722      9.83950753    -13.29216061
  H     14.52806985      8.89956843     -9.89514571
  O     12.70830815      8.29681544    -12.43085195
  H     14.50885455      4.02274439    -17.44969847
  H     13.55490443      8.11191611    -10.82101033
  O     13.13751733      5.98357705     -8.50484708
  H     15.00065686      5.38951173    -16.91884270
  H     15.48148157      8.97025141    -14.02905962
  O     12.02343869      5.76077038    -15.69521751
  H     12.01406654      8.71202326    -12.96609188
  H     15.41867374      7.43550925    -13.96148565
  O     14.98128919     11.29809707    -15.71039428
  H     13.50709463      8.27658576    -12.98585353
  H     17.72274002      7.12178953    -14.86872618
  O     15.89793306      6.83909572    -17.23957388
  H     13.48756903      6.75978890     -8.97138297
  H     19.00600188      7.47584060    -15.65648363
  O     15.33807004     10.57560756     -9.98675419
  H     13.51902465      6.00561726     -7.63078676
  H     11.13423834      9.22429570    -15.03188549
  O     14.03037675      8.81564583    -16.63544577
  H     12.80270866      5.35207862    -16.09096374
  H     11.62035490     10.51432830    -14.32526099
  O     12.64905106      4.15136940    -10.45285007
  H     12.08414525      5.60097139    -14.74521295
  H     13.56306681     11.84136825    -14.88546082
  O     15.45204368      4.01218225    -11.16438103
  H     15.76597325     11.02436333    -15.21767289
  H     12.49244472     12.94057030    -14.69372829
  O     14.87150799      4.26711487    -13.95764617
  H     14.69327845     10.52281942    -16.21151536
  H     12.49029821      5.02267182    -12.08699082
  O     14.13122552      8.03260056    -10.04787357
  H     15.26766758      7.57236012    -17.19889412
  H     12.54075421      6.44578267    -12.70289528
  O     14.86751764      8.22288696    -14.04020508
  H     16.69420060      7.14716283    -16.79329994
  H     11.49362859      7.29437916    -16.28683399
  O     18.08487602      7.70497716    -15.55940323
  H     14.71105986     10.87315917    -10.67165082
  H     10.60312762      8.09765055    -17.26549891
  O     11.17355535      9.67128270    -14.17706273
  H     15.41952094     11.28664658     -9.35727635
  H     13.10988805     10.18988561    -12.01042285
  O     12.75011146     12.07092394    -14.40051037
  H     14.23305063      8.55366230    -15.72383233
  H     13.28594108     11.55127479    -12.68566875
  O     12.56762811      5.50550358    -12.91994583
  H     13.08353864      8.67553316    -16.75273435
  H     16.77558846      6.38281642    -12.72929061
  O     11.28323066      8.19179411    -16.60425674
  H     12.76659539      4.77794032     -9.71810158
  H     16.22307010      5.44912010    -13.84074798
  O     13.49838182     11.06193787    -11.88201163
  H     12.09872636      3.44379367    -10.12681607
  H     17.21965442      8.37726875    -11.32997232
  O     16.79527924      6.21206836    -13.68162358
  H     14.54686613      3.95609650    -10.83623029
  H     16.74847793      9.80340079    -11.00308077
  O     17.33798670      9.30086315    -11.57944000
  H     15.38172179      3.87815872    -12.11806347
  H     15.63483690      7.08648649    -10.65372030
  O     16.41050027      6.61194617    -10.97843628
  H     14.08338528      4.70371748    -13.60205163
  H     16.18347129      5.67113378    -10.92333647
          69
 Energy    -248.56800306981967     
  O     13.12426175     13.05695105    -13.23009728
  H     13.89423928     12.96155903    -13.81487504
  H     17.48641548     10.56150328    -17.45763697
  O     18.41675783      8.09668477    -12.78222603
  H     12.91443081     13.98741083    -13.20388180
  H     12.89974571      9.58374600    -17.06008835
  O     16.22907313     10.85348365    -11.75351016
  H     18.23052673      8.20639205    -13.72738455
  H     12.06884605     10.55889408    -16.17003289
  O     11.53626671     11.00197352    -14.50409133
  H     18.74283728      8.96521801    -12.51749216
  H     16.31564183      9.51240224    -14.67362970
  O     13.56627071      8.05542716    -14.14655640
  H     15.98408456     10.54487014    -12.64185552
  H     14.83892080      9.32240697    -14.21943169
  O     14.56498689      6.45755082    -12.09102686
  H     17.17549551     11.03128676    -11.79389805
  H     13.42839934     11.78764657    -17.41572022
  O     15.20270002     12.56569325    -14.99231394
  H     11.40924535     10.38076063    -13.77677048
  H     13.72836931     13.06892273    -18.23343986
  O     16.43116169      6.31959865    -16.42614765
  H     11.99210544     11.75866312    -14.11764248
  H     13.77298993      9.74693284     -9.82001759
  O     16.33805491      8.23284974    -10.88500345
  H     13.95248651      7.41077886    -13.53943778
  H     14.83080580      8.62714835     -9.68716618
  O     15.85685395     10.28517033    -17.86304160
  H     12.87608209      8.50819904    -13.64518334
  H     18.09827754      9.23149309    -16.04251159
  O     16.73339819      5.81743671    -13.76021023
  H     13.74498109      6.45399359    -11.58375586
  H     17.36074205      7.85541948    -15.91099837
  O     18.39961305     10.67572401    -17.13199453
  H     15.16042641      7.07364168    -11.63690127
  H     17.15629746     12.49094200    -14.77857971
  O     12.45529858     10.43757846    -17.05110643
  H     15.28662280     11.61621097    -14.80844359
  H     18.25092740     11.74846684    -15.56696634
  O     15.57111711      9.95061508    -14.24334160
  H     14.85888098     12.64346863    -15.89175493
  H     19.70870316     11.43419672    -12.10828399
  O     14.09291653     12.48542261    -17.57449607
  H     16.72689298      5.57156577    -16.93861274
  H     18.68389500     11.39831294    -13.26313043
  O     13.94198276      8.88694241     -9.41439813
  H     16.48987477      6.05593391    -15.49006555
  H     14.53288420     11.12006355    -11.26882085
  O     17.74268954      8.59035644    -15.41488361
  H     17.11480032      7.98657446    -11.40384269
  H     13.29562369     11.88683863    -11.73536294
  O     18.06678872     12.17729008    -14.72195951
  H     16.22401562      9.17188989    -11.09122933
  H     12.42939359      9.89062965    -11.88140840
  O     18.94820875     10.95987417    -12.43429159
  H     15.31347817      9.56522407    -17.51860364
  H     11.79711047      8.48448970    -11.73263910
  O     13.57098591     11.16391787    -11.15797611
  H     15.29134245     11.06662068    -17.87844933
  H     12.81567410      7.68355683    -10.01917477
  O     11.84380081      9.25209143    -12.31424708
  H     17.40293632      6.37201482    -13.34636095
  H     11.70828088      6.60798097     -9.89535262
  O     12.25875312      7.06462513    -10.52574111
  H     15.96033085      5.85425102    -13.18087633
  H     13.90601217      8.08561380    -15.92088418
  O     14.25468838      8.14491148    -16.82307379
  H     18.95392634     10.80567505    -17.89597174
  H     14.92195909      7.44998529    -16.86652330
          69
 Energy    -248.56797621871823     
  O     11.95323878      4.09712773    -13.15837481
  H     12.67444217      4.10128001    -13.79800951
  H     16.09296191      7.25337919    -10.40160234
  O     16.09531821     10.82654827    -14.27345664
  H     11.37787665      4.84711296    -13.37262788
  H     14.96341112      7.41652089    -12.08930616
  O     18.07875273      8.08181865    -12.93952436
  H     16.75506756     10.94792535    -13.58296890
  H     13.47400916      7.51799010    -11.72678985
  O     11.22337536      9.89288374    -13.09480730
  H     15.24833557     10.81299874    -13.80651149
  H     10.28803105      6.87807484    -12.79641739
  O     16.74948925      3.70998264    -15.99229388
  H     18.68810054      7.34821336    -13.09490444
  H     10.69915707      6.97843416    -14.27552772
  O     11.52081247      8.28356142    -15.43483859
  H     17.49259517      8.12448998    -13.71035978
  H     20.40936911      5.47465443    -13.45392373
  O     15.40685488      4.32409738    -11.93718186
  H     11.29807928      9.45000537    -13.94973029
  H     18.92648857      5.03898969    -13.40798213
  O     15.11138518      8.23039630     -9.27023909
  H     12.09266682     10.27181579    -12.90959202
  H     14.05515198      6.09675981    -15.01799967
  O     18.04976086      6.09662526    -16.05087979
  H     16.95550603      3.19238894    -16.76574711
  H     13.93230200      7.31929378    -14.08780050
  O     15.60181358     10.90753139    -10.29940688
  H     17.19199924      4.57070477    -16.10237851
  H     18.00733238      9.70683369    -12.24631690
  O     13.90316421     10.48698985    -12.52790280
  H     11.32479306      8.43431572    -16.35600721
  H     18.72584042     11.02935259    -11.90507375
  O     16.40248174      6.73976804    -11.16354630
  H     12.39307085      7.85601544    -15.40079000
  H     16.32894405      9.20361582    -15.04408824
  O     14.11436822      7.73953689    -12.41557983
  H     15.80948685      5.14867311    -11.62281091
  H     15.58537946      7.84964845    -15.23294916
  O     10.42937683      6.35346172    -13.59283667
  H     14.60029534      4.20900209    -11.42271978
  H     17.01565950      3.78343609    -12.75221017
  O     19.51932520      5.79470367    -13.57279457
  H     14.20892848      7.93110336     -9.44581697
  H     17.46178142      3.55024369    -14.20994746
  O     13.93316842      7.05558195    -15.02284423
  H     15.16259985      9.15289283     -9.54534155
  H     10.57690379      8.80865826    -11.90293306
  O     17.86677470     10.61413305    -11.92575955
  H     18.67462061      6.04510967    -15.31806538
  H      9.42032485      8.40107065    -10.95948574
  O     16.46086690      8.25691264    -15.19922396
  H     17.52908264      6.89711778    -15.89959041
  H     15.12961520      4.06281638    -15.14430035
  O     17.79475938      3.71766182    -13.31950014
  H     15.73285271     11.64422693     -9.70640718
  H     14.76783890      4.37945961    -13.67244967
  O     10.26019653      8.10848560    -11.30333466
  H     16.41821479     10.81737675    -10.81621187
  H     12.52158206      3.58574740    -10.11309052
  O     14.41646057      4.37629735    -14.57531773
  H     13.98158119      9.51980837    -12.52950875
  H     12.46544275      4.19846091    -11.53472264
  O     12.84820000      4.30762172    -10.64355155
  H     14.34526795     10.77759939    -11.72182752
  H     12.64316894      6.12612176    -10.26910741
  O     12.62101776      7.09014059    -10.19373832
  H     17.06841421      7.24188324    -11.64726929
  H     11.74246594      7.39359516    -10.45911831
          69
 Energy    -248.56791210371111     
  O     -8.27617045     -1.72966180      6.19693474
  H     -8.94099144     -1.03522821      6.26925674
  H     -6.51588086     -2.65762107     -0.62166311
  O    -10.32031226     -2.57305259      2.50470522
  H     -7.42574813     -1.34255225      6.43677976
  H     -4.42646455      0.64585935      1.75216722
  O     -8.36989816     -3.63983220      4.28791759
  H     -9.72595854     -3.04206969      3.10215088
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  H     -8.36409821     -2.98281914      5.00800547
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  O     -4.44423223      4.93071244      0.27112536
  H     -8.34668449     -4.49965315      4.69876467
  H     -5.15424317     -0.87245650      5.92167079
  O    -10.50387771      1.05378211      0.87324211
  H     -5.83974232     -0.32343083      0.11394769
  H     -5.11324796     -0.85833512      7.47047058
  O    -10.34754838      0.28390403      6.28510324
  H     -6.32888366      1.10370499      0.45528329
  H     -0.68876663      2.09097606      1.37044754
  O     -4.41290274     -1.19073038      4.41301488
  H     -5.86974747      2.22204701      5.14647935
  H     -1.92312219      2.93615072      1.77067831
  O     -3.67673480      2.48686788     -0.65277075
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  H     -7.12372262     -2.76222367      3.24438385
  O    -10.31522305      0.10211634      3.46969467
  H     -4.20377171      4.07867569     -0.13421398
  H     -6.53275456     -2.21409892      1.89687076
  O     -6.67307114     -2.00368786      0.05384884
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  H     -9.68068818     -1.99202810      0.91932899
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  H     -9.70213484     -0.61985514      0.22552193
  O     -7.57726128      0.38507515      3.36949188
  H    -10.56635457      0.76713416      1.80000767
  H     -9.16646595      3.53578207      5.85704466
  O     -5.66366027     -0.64523183      6.72209396
  H     -9.92981604      1.16280843      6.31272122
  H     -8.13865419      2.41102343      6.06004021
  O     -1.64092584      2.10909479      1.33912063
  H    -11.00083242      0.26803051      6.97973463
  H     -3.34698445      3.99373300      3.14953574
  O     -6.48486001     -2.14928748      2.85839100
  H     -4.07060716     -0.50927987      3.81986648
  H     -3.27244291      4.68902436      1.77762158
  O     -9.30059387     -1.49304826      0.17982509
  H     -5.05720052     -1.67948584      3.88168353
  H     -4.46181113      2.17948981      3.45783679
  O     -9.05793891      2.66929256      6.24113644
  H     -2.89767763      2.28683663     -0.11908253
  H     -5.41189974      3.41285553      3.34855588
  O     -2.72710394      4.32077863      2.48497801
  H     -4.31655373      1.78691847     -0.46513778
  H     -8.73462858      1.77620300      0.86575943
  O     -4.78812056      2.95504574      3.93624067
  H     -9.34772364      0.17077929      3.43286913
  H     -7.68824269      1.40859014      1.93489089
  O     -7.81582098      1.91749148      1.11732241
  H    -10.53782643      0.16607691      4.40474629
  H     -6.99814892      3.48081160      1.70377909
  O     -6.45247635      4.15667081      2.12693524
  H     -7.62884962     -1.80863238      0.04147777
  H     -5.86135904      4.49852471      1.44396693
          69
 Energy    -248.56783974448055     
  O     -2.94473996     -0.84831246      3.05046156
  H     -3.38477049     -0.44792074      2.28377343
  H     -6.03712391     -3.89570791      0.33797595
  O      0.72060801      3.36364877      2.72195301
  H     -2.70962797     -0.10719816      3.62305438
  H     -3.00238389      2.84813341     -0.63095640
  O     -1.10404495     -1.79788211      1.28933395
  H      1.16577315      4.17750377      2.94509174
  H     -1.93504635      1.79053350     -0.16420105
  O     -4.69133638      0.79969164     -2.67170020
  H     -0.22747246      3.56981315      2.67470125
  H      1.18541619      2.11333085      1.34526104
  O     -2.32628709     -0.73601071     -2.53932875
  H     -1.69131520     -1.52894147      2.01222210
  H      1.47077176      0.60046631      1.29839227
  O     -4.26519476      0.56617946      1.08700346
  H     -1.65190386     -2.29189920      0.66249998
  H     -4.88726970      3.22576561      3.95462285
  O     -6.41014370      0.62455443      2.89469243
  H     -3.88895954      0.26316350     -2.70915628
  H     -4.11076702      2.04585623      4.58286208
  O     -7.68773212      1.56590191      0.50450027
  H     -5.30216033      0.32226775     -2.09515428
  H     -2.82034298      4.17908691      2.69227489
  O     -2.27938910      1.53092036      4.35741771
  H     -1.75497419     -0.30382889     -1.88233348
  H     -2.12650256      3.29439404      1.63612067
  O     -4.29542159      3.33409230     -1.85829644
  H     -1.75453075     -1.02704853     -3.24625385
  H     -5.00497220      5.55996382      2.97336635
  O     -6.12983385     -0.43976698     -0.61451630
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  H     -5.04525918      4.37541703      1.98005405
  O     -5.63729872     -3.03036078      0.32067291
  H     -3.77572424      1.36376695      0.85696950
  H     -5.96290746     -1.19823297      2.93876929
  O     -2.50464221      2.51679254      0.12609158
  H     -7.01472755      1.06371465      2.28833549
  H     -4.58878300     -1.85167702      3.10752588
  O      1.33880633      1.37805838      0.73957207
  H     -6.04037928      1.27651605      3.51135634
  H      0.71900120      0.27706627      3.76969424
  O     -4.99958660      2.38179764      4.40811670
  H     -8.59518806      1.56091594      0.21021840
  H      0.65147310      1.80921031      3.87000315
  O     -2.00969353      3.68732728      2.51594682
  H     -7.24392123      0.82911702      0.05218601
  H      0.46948623     -1.34724175      1.99240924
  O     -4.61236379      4.71157237      2.78505141
  H     -2.22247332      2.25239854      3.71701975
  H      1.87356327     -1.68033237      2.54071255
  O     -5.49856135     -2.04173316      2.84525512
  H     -1.36096764      1.28223672      4.53857805
  H     -2.86183327     -2.16803248     -1.28795461
  O      0.42413593      0.99691448      4.33995084
  H     -4.24809688      3.91902587     -2.60936658
  H     -3.81753408     -2.87424707     -0.29451836
  O      1.26814927     -0.95913252      2.38767492
  H     -4.47269903      2.44106907     -2.20576348
  H     -0.04364315      0.79062916     -0.21401321
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  H     -6.13860313     -1.38778744     -0.43862157
  H     -5.33366603      3.64485352     -0.29487961
  O     -5.79677818      3.70859321      0.54905902
  H     -5.60081766     -2.72202954      1.24457228
  H     -6.48719565      3.03540349      0.52836977
          69
 Energy    -248.56776557704580     
  O     -3.47136389      0.76143015      1.31642609
  H     -3.79606458      1.60220743      1.00466529
  H     -1.89785097     -6.16089978     -0.60839678
  O     -1.92493205     -2.21554066      8.00006077
  H     -2.58414598      0.64565054      0.93522468
  H      2.87969531     -2.00922117      1.88897295
  O      0.97818000      0.35214474      2.15530570
  H     -2.63231260     -1.77212879      7.49767404
  H      4.12434978     -1.25415054      2.41373046
  O     -3.35858411     -0.51731125      3.82853955
  H     -1.92177265     -1.83032240      8.87188869
  H     -0.44612626     -2.02115513      2.80552883
  O      2.33143381     -3.31999462      4.56330826
  H      1.80947228     -0.11927709      2.27613934
  H      0.46747098     -2.83368953      1.82725825
  O     -2.94532770     -4.69910066      6.97042081
  H      0.45096422      0.13575646      2.93864091
  H     -1.47968710     -4.09159233      2.64967564
  O     -0.05378409     -2.71601360      5.98336830
  H     -3.45215948      0.03103876      3.04021326
  H     -2.09593172     -5.30091970      1.92151017
  O      1.59980662     -5.84061708      3.90212240
  H     -3.66181035     -1.40542095      3.58832232
  H      1.63441234     -2.62788064     -0.04888727
  O     -5.17161168     -3.70237486      5.77531266
  H      1.63824560     -2.96115129      5.13179305
  H      1.84199479     -3.95891898      0.76527726
  O     -1.01319508      0.13535629      0.27312601
  H      2.64244628     -2.60228673      3.99998247
  H     -3.57815938     -3.73147423      3.03637061
  O      1.20654059     -5.59339564      1.06384414
  H     -2.56939741     -3.95396949      7.45542245
  H     -4.70076146     -3.32091961      4.02093013
  O     -1.56047175     -5.63247371      0.11100516
  H     -2.23044436     -5.05087930      6.42418510
  H      0.41484255     -0.92404949     -1.21851372
  O      3.20418181     -1.42566967      2.59838817
  H     -0.57887874     -2.49601074      6.76309484
  H     -0.24914945     -2.30442840     -1.20513826
  O     -0.42374804     -2.76439173      2.19035446
  H     -0.35669624     -3.58594026      5.68758601
  H     -1.57503293     -0.62169419      4.08705394
  O     -2.13767323     -4.80113464      2.74408978
  H      1.92429206     -4.94438473      4.10658031
  H     -0.42445463     -1.37908911      4.82907685
  O      2.00338294     -3.00347302      0.76218094
  H      2.28158804     -6.44690344      4.18157053
  H     -1.31014751     -2.82193718      0.66891888
  O     -4.27518540     -3.07825441      3.18892077
  H     -4.40655595     -4.13622675      6.19427485
  H     -2.67196974     -2.56210834     -0.04375560
  O      0.59764553     -1.85811360     -1.34933205
  H     -5.95257919     -4.12051395      6.12782278
  H     -3.76791013     -0.78665601      5.64432087
  O     -0.61943824     -0.76657337      4.10729701
  H     -1.13723608     -0.81005564      0.15195048
  H     -4.49901045     -1.97049018      6.30109847
  O     -1.75868198     -2.85160980     -0.19176379
  H     -0.27323634      0.24635947      0.89304023
  H     -1.43003538     -5.21084072      4.34623890
  O     -3.94520305     -1.20446388      6.49701158
  H      0.29602257     -5.73510049      0.78334597
  H     -0.02642011     -5.61372154      4.82459102
  O     -0.87802523     -5.28533674      5.13831086
  H      1.24540803     -5.76445621      2.01367002
  H     -4.39751631     -2.35775417      1.43752878
  O     -4.19976419     -1.93582125      0.59072411
  H     -1.67246198     -4.70427117     -0.14938014
  H     -4.11395573     -0.99277071      0.77538105
          69
 Energy    -248.56753184144657     
  O     13.58183913      4.65541976    -16.40821748
  H     13.09355836      5.41160135    -16.75117244
  H     19.04653486      5.31544565    -15.51659733
  O     17.61491478      6.68688049    -11.99533834
  H     13.63112586      4.78245403    -15.45029158
  H     17.70368547      9.46184213    -17.36485941
  O     19.37978129      6.84119043    -18.25366915
  H     18.51540247      6.81730827    -12.31731474
  H     18.79688413      8.35541986    -17.32572823
  O     16.94156455      5.79815573    -18.88899754
  H     17.07957061      7.37679624    -12.41181985
  H     16.76517501      6.30691442    -15.65475223
  O     13.50952795      7.04719735    -10.11871537
  H     18.52899133      6.43912104    -18.50430446
  H     17.15471563      7.77149060    -16.04198443
  O     13.87794934      5.16965956    -13.68717045
  H     19.94559567      6.78001171    -19.01854075
  H     12.80387688      8.42831143    -14.29225971
  O     16.18262304      8.61688243    -13.41151144
  H     16.23218533      6.44219460    -18.76534242
  H     12.81633748      9.64730113    -15.22152374
  O     17.39527549      4.57541564    -15.43517373
  H     16.60776727      4.97687861    -18.50868294
  H     15.38248785      2.50243923     -9.95559910
  O     13.02498325      4.38410399    -11.10111875
  H     13.20507395      7.48756939     -9.32981995
  H     14.52839829      3.60644219    -10.62595888
  O     18.64253208      9.64559392    -14.04955606
  H     14.42303519      6.75717481     -9.94392764
  H     12.32889901      7.64882226    -16.50843235
  O     15.79250535      3.57641456    -17.49422297
  H     14.77291041      4.89675041    -13.44230418
  H     11.42081115      7.10731872    -17.63620347
  O     19.82284653      5.88935798    -15.59001218
  H     13.79309819      6.10334446    -13.45223497
  H     20.01478622      6.77007490    -14.10571391
  O     18.31866571      8.99338435    -16.78125034
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  H     20.96583872      7.20318161    -12.96655829
  O     16.42765855      7.20716323    -15.73893674
  H     16.96998339      9.17145510    -13.51017577
  H     16.89058888      5.13843447    -12.56029158
  O     12.49297295      8.75110853    -15.15205807
  H     17.06347336      4.32454348    -14.56217602
  H     16.18574249      3.84311068    -12.07756034
  O     15.44117386      3.32170115    -10.43883417
  H     16.88347914      4.10740254    -16.10627218
  H     16.67140301      6.33896191    -10.41414910
  O     12.30525866      7.06014156    -17.28311771
  H     13.12965496      4.53857022    -12.04981682
  H     15.93388505      5.10505387     -9.85384449
  O     20.05924368      7.24838019    -13.25836131
  H     13.01295560      5.26161463    -10.69916124
  H     14.01611938      7.45135811    -17.92447531
  O     16.43553499      4.33906321    -12.86612670
  H     18.61918129      9.55883798    -15.01284765
  H     15.37327887      7.44878174    -17.17805511
  O     16.01562187      6.06208398     -9.76032495
  H     19.21209382      8.92994033    -13.74217620
  H     13.52563453      7.65692762    -11.87061300
  O     14.95574911      7.63179702    -18.03524835
  H     14.96415916      3.95001959    -17.14011417
  H     14.53045327      8.21125873    -12.92940077
  O     13.64373492      7.83608045    -12.81119037
  H     15.58695226      2.70043751    -17.80841910
  H     15.77343198      9.20791601    -18.39337497
  O     16.35097852      9.98635177    -18.44962464
  H     19.81826470      6.20652125    -16.49973379
  H     16.17771881     10.38457673    -19.29869559
          69
 Energy    -248.56721362353628     
  O     11.78376204     11.61052876    -15.81102856
  H     11.95160519     10.88416202    -15.18583086
  H     14.72692834     10.03128126    -12.32817616
  O     14.40734349      9.85186049    -19.65640898
  H     11.00654007     12.06704157    -15.50001411
  H     16.74118866      7.75439247    -14.20627341
  O     11.39938306      7.42873444    -17.15631694
  H     14.08662261      9.96356928    -20.54775788
  H     17.57649528      9.04492444    -14.53441432
  O     13.05032826      7.45194759    -10.31168079
  H     13.62814427      9.93675438    -19.07542780
  H     15.44665776      5.34977388     -9.91948898
  O     14.62003568     11.80076608    -15.77316456
  H     11.10896517      7.30786248    -16.24350589
  H     14.30852132      6.24688087    -10.46584675
  O     17.04786209     10.44771145    -18.87412845
  H     11.96917660      6.67423744    -17.34383728
  H     13.99471737      6.04118522    -17.83835894
  O     18.20192250     10.74733858    -14.13817047
  H     12.24415362      7.14028500    -10.73943278
  H     13.44114786      4.61063207    -18.04674628
  O     12.91639393      4.36627639    -12.28538190
  H     13.37144937      8.20227195    -10.83263221
  H     15.48870594      6.42214877    -12.31499617
  O     12.23820172      9.90587258    -18.08967238
  H     13.68041652     12.00128572    -15.83430704
  H     14.85469845      6.52755088    -13.72808336
  O     14.70810747      9.01731341    -15.98473797
  H     14.69108814     10.84702150    -15.93564554
  H     11.55982627      5.41903268    -11.88880559
  O     14.94653517      7.39064425    -18.35827044
  H     17.50392646     10.70370884    -19.67340049
  H     10.16973275      5.70866347    -11.27463289
  O     14.22259609      9.23424880    -12.10562466
  H     16.11987977     10.31001662    -19.11897223
  H     12.68752187      6.22284045    -14.57472016
  O     17.16599614      8.25773617    -14.91483784
  H     19.05090591     11.08912727    -13.87190708
  H     13.56784430      5.49616985    -15.61366563
  O     14.97657099      5.58195538    -10.71523584
  H     17.97054098     11.18639469    -14.97736586
  H     17.53912235      8.76010246    -18.02123674
  O     13.40282219      5.36466722    -17.46456095
  H     13.66135787      4.60065074    -11.71784867
  H     17.54901764      7.93440288    -16.71149440
  O     15.50558794      6.93131093    -13.13478389
  H     13.16569079      4.64988238    -13.17570608
  H     13.01736609      9.47257741    -13.43103906
  O     10.90434334      6.12042658    -11.72252682
  H     12.01404070     10.54514046    -17.40582408
  H     13.25032045      9.22487363    -14.93622401
  O     13.51485673      5.73176088    -14.68022618
  H     11.88848056      9.05044201    -17.79766933
  H     10.89756732      6.85006232    -13.45283409
  O     17.53946882      7.85900315    -17.67612767
  H     15.55923684      8.78701672    -15.58820114
  H     11.52678852      8.02195143    -14.26220661
  O     12.57022421      9.46608047    -14.28803038
  H     14.62469155      8.48743405    -16.78354793
  H     16.38548600     12.06292196    -16.23049557
  O     11.11510833      7.14779336    -14.34428807
  H     15.89657935      7.43001902    -18.16389615
  H     17.30784434     11.43014481    -17.28219451
  O     17.31522857     11.88243650    -16.43071237
  H     14.73891936      8.12668424    -18.94436513
  H     16.53211829     11.20420502    -13.31141420
  O     15.60383009     11.36697914    -13.10614058
  H     14.70761155      8.48132821    -12.47159808
  H     15.19919541     11.63691988    -13.93998769
          69
 Energy    -248.56720059134648     
  O     11.90308611     10.92205390    -14.71337346
  H     12.50901708     11.66106136    -14.84263564
  H     14.20379174      5.87051313    -15.21281314
  O     15.79769244      6.88770401    -12.66771091
  H     12.27059527     10.18429285    -15.21853687
  H     18.47168031      9.40264475    -12.78029776
  O     17.73911938     11.11888561    -12.48833452
  H     16.56394703      6.89862044    -12.08800688
  H     18.92937391      8.31391058    -13.78616105
  O     17.63662483     10.63039514    -15.24590917
  H     15.02575739      7.02941662    -12.10018448
  H     16.37772973     11.40228435    -16.31162583
  O     12.30903351      6.26513907    -15.13303466
  H     16.80577058     11.36023423    -12.56481273
  H     15.34057769     10.90894429    -17.33697971
  O     15.18786256     10.14381737     -8.71808362
  H     17.86671448     10.89645618    -11.55428989
  H     16.16627054      9.50372791    -14.68172249
  O     13.73373479      7.47804746    -10.92422140
  H     18.24890948      9.91382602    -15.45577849
  H     15.62977335      8.37991001    -13.73077876
  O     14.96920080     11.47022243    -12.84571004
  H     17.83096683     10.93470373    -14.34913964
  H     10.16554542     10.40763305    -12.15123016
  O     16.76815127      7.41802600    -16.82617279
  H     12.03681015      6.59119934    -14.25605407
  H     11.33217825     10.42012488    -13.16809283
  O     15.62600686      7.31551832     -8.93689357
  H     11.65652483      5.62395810    -15.40086218
  H     12.30912133      7.17918892    -12.04929633
  O     19.03191942      8.23859779    -15.65591445
  H     14.52718043     10.24959798     -9.42186403
  H     11.32221816      8.20217229    -12.62811210
  O     15.16657017      5.82582928    -15.20910751
  H     14.88421507     10.66320870     -7.97742770
  H     18.34978683      7.65848415    -11.46496216
  O     18.80415344      8.49790704    -12.84809970
  H     14.27590640      7.26421935    -10.15190289
  H     18.60299336      6.56641589    -10.39888899
  O     15.57413037     11.66316559    -16.78410426
  H     13.65046795      8.44120183    -10.93862290
  H     17.92481582      9.16308462    -10.00973519
  O     15.37987528      9.16281947    -14.23816403
  H     14.61948996     12.09741327    -13.48956746
  H     16.93008558     10.20322924     -9.47075134
  O     11.05094602     10.08518457    -12.29689561
  H     15.03919958     10.62078602    -13.31207073
  H     14.18837512      9.03746499    -17.39100040
  O     11.63294992      7.29556311    -12.73093611
  H     16.18413503      7.99989981    -17.32285201
  H     14.43710213      9.05716089    -18.91751566
  O     17.96946026      7.22374132    -10.67737833
  H     16.20254653      6.81849609    -16.31652059
  H     12.56884864     10.27267143    -11.24007746
  O     17.78137274     10.11016464     -9.91715088
  H     15.52880567      8.25095847     -8.71426171
  H     14.00640786     10.77684599    -11.51330883
  O     14.85773192      9.21146154    -18.07530914
  H     16.43148388      7.25012002     -9.46304970
  H     13.85953096     13.82254384    -15.26839666
  O     13.46182806     10.29478058    -10.87299109
  H     19.78206350      7.97477647    -16.18097780
  H     14.50212927     12.48539737    -15.70488067
  O     13.92904051     12.90106351    -15.03484711
  H     18.23827924      7.88327545    -16.09820223
  H     12.85067795      7.90319314    -15.74931340
  O     13.23389052      8.77101606    -15.92723849
  H     15.43156361      6.03342157    -14.30327543
  H     13.98108464      8.88012373    -15.31711512
          69
 Energy    -248.56716730441212     
  O     20.87403227     10.37706833    -16.45209582
  H     21.35891408     11.21191772    -16.31875182
  H     18.11362474     11.16060216    -17.90344516
  O     16.72187570     18.41606531    -15.56010415
  H     21.52623497      9.68458598    -16.51138475
  H     21.00950025     16.31439635    -17.30835212
  O     22.19688868     14.24627979    -13.67836421
  H     16.44815539     19.32010352    -15.68834221
  H     21.86711297     17.52543598    -17.74611047
  O     13.95805147     14.31670495    -15.45526725
  H     17.27003826     18.17959966    -16.33146912
  H     20.39673993     16.95745505    -14.04356516
  O     16.74513420     11.52017773    -16.67742122
  H     22.86150084     14.34592203    -13.00219923
  H     21.33467381     17.00323717    -15.26170428
  O     16.43977859     11.21713663    -12.93573966
  H     21.89804739     15.14437644    -13.90958111
  H     18.21055126     13.54360167    -12.24577580
  O     14.45092711     11.59474569    -14.99770049
  H     13.16701848     14.65912025    -15.86442322
  H     16.88506468     12.80262977    -12.07921403
  O     22.07489749     12.76646916    -16.08967170
  H     14.35663260     15.05878281    -14.96408385
  H     18.13118925     14.91084548    -19.47178175
  O     20.47009283     14.64144603    -17.38818900
  H     15.93897709     11.31911021    -16.18935806
  H     17.01139623     15.12215268    -18.44875813
  O     15.14851419     16.40483248    -14.28571250
  H     16.68213385     12.46488015    -16.88420051
  H     18.01754352     16.88543232    -13.09229727
  O     19.58017368     13.23435581    -13.40278583
  H     17.23157308     10.97304018    -13.43014903
  H     17.99553554     17.76509712    -14.36685323
  O     18.93679846     11.17173031    -18.40920229
  H     15.74027226     11.32063295    -13.59115939
  H     18.08853687     17.02867997    -18.17907785
  O     21.17118269     17.26102370    -17.14966697
  H     13.61146972     11.14861909    -14.91181338
  H     19.30167726     17.67462948    -17.45484949
  O     21.28480520     16.71856513    -14.34145260
  H     14.25589055     12.53992876    -15.09607849
  H     16.51856423     16.50967001    -11.06653003
  O     17.34061146     13.61679674    -11.82889629
  H     22.25854346     13.20860088    -15.25263202
  H     16.90930414     15.24979544    -11.87527979
  O     17.53798605     15.58242331    -19.11778674
  H     21.58516647     13.41348067    -16.61624866
  H     19.47062486     10.62839601    -15.24447645
  O     18.56439797     17.20576919    -13.82192460
  H     19.75108544     14.69880966    -16.74149848
  H     18.04649438     11.19594701    -15.40669405
  O     18.34803092     17.73575043    -17.56981984
  H     20.11054838     14.28334093    -18.20933152
  H     18.84101367     14.22961473    -14.71258080
  O     16.72026677     16.20422790    -11.94634202
  H     15.61430588     16.31992864    -13.44421464
  H     18.52213006     15.71584607    -14.96021984
  O     18.71825773     10.97209173    -14.74699263
  H     15.61215255     17.08955254    -14.78301594
  H     19.21823605     12.63438546    -19.29427926
  O     18.52803381     14.84981767    -15.38486845
  H     20.51837206     13.44818137    -13.45484827
  H     19.79319118     13.29623448    -20.56610044
  O     19.41834280     13.49139553    -19.71153494
  H     19.41492334     12.38374609    -13.83464491
  H     15.53912932     14.34580770    -16.51231647
  O     16.38071816     14.23653657    -16.96687237
  H     19.62164313     10.84182264    -17.81502192
  H     17.08357077     14.50460200    -16.35338430
          69
 Energy    -248.56701618918973     
  O     -0.23189879      2.29238301     -2.49979943
  H      0.43016915      2.83546291     -2.04716723
  H     -1.92532459     -0.13834992      2.41816428
  O      1.55885627      3.77357061     -0.94119546
  H      0.21003154      1.47170461     -2.74079913
  H      0.03969485     -0.09470311      1.89134897
  O      3.64029884      0.62916401      3.02760142
  H      2.32135153      3.39991861     -0.48875270
  H      0.05140864     -1.58750498      2.27037404
  O      0.22796786      0.95780440      0.51706677
  H      0.90707449      3.91926001     -0.23921968
  H      2.38283451     -2.02137050      1.30789877
  O     -2.77802904      2.37729689     -1.62609225
  H      3.47376040     -0.16172798      2.48416075
  H      3.06647308     -0.88553234      0.52325119
  O     -2.91657819      2.86934182      1.16371532
  H      4.49316018      0.50521527      3.43745042
  H     -3.35377616      3.58572917      2.85097005
  O      1.26966676     -0.16114429     -2.91063786
  H      0.11736167      1.90157454      0.69065467
  H     -3.64919871      2.83257814      4.16049205
  O     -2.21612603     -0.13658891     -0.50982431
  H     -0.54183495      0.65213777      0.02159805
  H      0.16711736      4.11865364      4.27535328
  O      3.61904561      2.58726360      0.88637848
  H     -1.86432591      2.40650291     -1.96650402
  H      0.96749325      2.84201638      3.88387544
  O     -0.22179140     -1.95067099     -1.22076431
  H     -3.34236979      2.68378352     -2.33056139
  H      0.62781777      0.38294948      3.76318588
  O     -1.31144087      4.47330674      5.30751780
  H     -2.86165532      1.96739786      1.51213223
  H      2.05101393      0.93674342      3.94756899
  O     -2.78933706      0.25191158      2.22027733
  H     -2.97622765      2.79668703      0.20281014
  H     -2.71055881      1.16455136      5.20019390
  O     -0.20875376     -0.71802362      2.59537715
  H      1.89235123      0.07195495     -2.20017565
  H     -4.13761326      0.62952925      5.46998299
  O      3.13757748     -1.42193114      1.32490779
  H      1.79435828     -0.32919959     -3.68962323
  H     -0.31482181      1.38395926      5.43119723
  O     -3.43415676      3.70474492      3.80609307
  H     -2.54486413      0.64276559     -0.97584051
  H     -1.15124746      2.62097177      5.81234530
  O      0.85355710      3.78225232      3.68561388
  H     -2.59076687     -0.12073490      0.38104349
  H      1.78908563      0.63012622     -0.26444995
  O      1.13747819      1.05524528      4.23809216
  H      3.52083740      3.44519134      1.32376687
  H      3.19983228      1.22712833     -0.32050160
  O     -3.58547220      1.01828925      4.79697769
  H      3.63759315      1.94597649      1.60787877
  H      0.09766757      3.73468169      2.04023314
  O     -1.15093153      1.65569336      5.82961732
  H      0.27719699     -1.44805939     -1.87487381
  H     -1.20547980      3.50096290      1.20829967
  O      2.66486456      0.50192079     -0.66676894
  H     -1.02244355     -1.43555190     -1.04848379
  H      0.61534261     -3.88368883      1.13905035
  O     -0.25219002      3.64006531      1.14482851
  H     -2.08893528      4.28538908      4.75132989
  H      0.39881090     -2.62633428      0.26581855
  O      0.72060235     -2.93623519      1.13162114
  H     -1.54242033      5.20945429      5.86722234
  H      2.30622775      4.56835437      2.87751007
  O      3.03567660      4.88392541      2.32215286
  H     -3.19717455      0.43258789      3.07619130
  H      2.74487067      5.71642136      1.95498224
          69
 Energy    -248.56694103752946     
  O     13.14618116      0.37537761     -9.81154847
  H     12.26653250      0.69522639    -10.05877838
  H     13.13136938      8.55911544    -12.09806817
  O     10.82502023      1.60900570    -10.74280071
  H     13.48799732      0.99894981     -9.15934942
  H      7.94688282      4.67170679    -13.04689434
  O      9.38364741      6.37749892    -15.35048837
  H     10.54937727      2.40659416    -10.27421757
  H      8.85457716      4.95788530    -14.28039521
  O     15.86651706      2.75168367    -10.55376980
  H     10.24915195      1.51662633    -11.51585602
  H     10.43265919      7.11510053    -11.80844435
  O     10.24111950      4.09552428     -9.59894398
  H     10.31342578      6.57337602    -15.13449732
  H     11.01311024      8.51948178    -12.10321362
  O      9.70351200      1.69015582    -13.27053547
  H      9.30722272      6.43750646    -16.29896346
  H     10.01770855      4.94040241    -12.52694941
  O     12.56186600      2.09582799    -12.96474497
  H     15.59391475      2.02667376    -11.12937923
  H     11.54978257      5.18065042    -12.40472920
  O     13.07970418      4.78099915    -13.25981658
  H     15.46791901      2.56548369     -9.69427609
  H     14.57186014      2.37911728     -7.24267210
  O     13.82544063      7.79154250    -10.71582162
  H     10.46302695      4.54820357    -10.42990787
  H     13.75292833      3.21555421     -8.24934317
  O      7.97258079      7.71250433    -13.25578370
  H      9.39612641      4.46651182     -9.32558065
  H     12.72199077      5.59362564     -8.38424280
  O      6.79338667      5.71617122    -11.89422398
  H      9.29474387      2.54594571    -13.45520974
  H     11.87059598      4.40493638     -8.89353016
  O     12.65320276      8.96193552    -12.84604500
  H     10.62216011      1.76634398    -13.55512431
  H     14.17411720      0.38430147    -11.21923066
  O      8.66935118      4.31728835    -13.57887385
  H     13.34728696      1.55348687    -12.82115364
  H     15.11120950     -0.28309266    -12.25550891
  O     10.25192144      8.06459758    -11.72386430
  H     12.04896166      2.02634417    -12.14728641
  H     15.09064921      4.34338017    -10.86020491
  O     10.70138660      5.33122558    -11.96717001
  H     13.66139192      4.93784270    -12.50283724
  H     13.84472809      4.93250535    -10.16519834
  O     14.28763587      2.41058406     -8.15290468
  H     12.93035508      3.82516493    -13.29501452
  H      7.09869451      5.49982367     -8.69310846
  O     12.76823375      4.66373271     -8.64096833
  H     13.36972291      7.76263685     -9.86698124
  H      7.47613201      5.61547249    -10.18408932
  O     14.71995690      0.55075364    -12.01020130
  H     14.21372646      6.91408062    -10.83486569
  H     12.58118785      7.98558801     -7.46994754
  O     14.46868456      5.08473410    -10.88671239
  H      8.71226595      8.00503630    -12.70367874
  H     11.48977880      7.50669409     -8.45579841
  O      7.84234985      5.57587186     -9.28705267
  H      8.37629382      7.37543387    -14.06509157
  H     12.44988015      6.13140012    -14.35070344
  O     12.42870083      7.41055345     -8.21527457
  H      7.15659579      6.49368349    -12.35784853
  H     12.22486686      7.64387401    -14.16929666
  O     11.96568266      6.88832460    -14.70955985
  H      5.86470959      5.67748062    -12.10998148
  H      9.95061379      7.94763477     -9.93672752
  O      9.85425362      7.66679805     -9.01457122
  H     13.08395889      9.79172365    -13.03156680
  H      9.15690772      7.00348714     -9.01602024
          69
 Energy    -248.56691249189038     
  O     11.25787308      8.36570627    -14.63126583
  H     11.90961853      7.85941159    -15.13961237
  H     15.10335868     10.62823719    -16.69961258
  O     16.47160031      6.97128218    -12.78224835
  H     11.46299877      9.29020130    -14.80261197
  H     15.53331238      9.26306311    -14.83856244
  O     16.58990800     10.58832613    -15.63531969
  H     15.95351237      6.80603742    -11.98438106
  H     14.40430875      8.16874922    -14.83317638
  O     14.02819423      4.69146721    -14.87597236
  H     15.93791923      7.56626586    -13.33333592
  H     11.00413153      7.52168087    -13.14543848
  O     14.34206324      9.95561870     -9.02446048
  H     17.40955943     10.10337348    -15.78829476
  H     10.03216636      6.75689357    -12.21544683
  O     14.79267398      6.72213141    -10.59836272
  H     16.71962801     11.07438331    -14.80658588
  H     18.13973787      9.37276483    -11.02644088
  O     13.73739828     10.52469540    -12.69688470
  H     13.71445816      4.74915342    -13.96008434
  H     17.17627674     10.36695378    -10.35199867
  O     17.23572133      7.08605981    -16.68318908
  H     14.99054859      4.66544917    -14.83751781
  H     13.71388333      5.51053770    -11.64189562
  O     16.31944254      7.94216188     -8.56730673
  H     14.94257884      9.27158297     -8.70361342
  H     12.33809943      5.71241976    -12.30215614
  O     18.89270159      8.92854198    -15.64910363
  H     13.64674820      9.49594350     -9.51568831
  H     16.64814581     11.62598193    -12.32628076
  O     16.86595641      5.06489165    -14.71241801
  H     15.31051859      6.99527981     -9.83160995
  H     17.62766675     10.63452040    -12.98048982
  O     14.27093495     10.39443093    -17.13654167
  H     14.09261844      7.38249992    -10.70444121
  H     18.73265434      8.93221854    -13.75113114
  O     14.99496502      8.69303103    -14.27481968
  H     14.36057980     10.98739905    -12.12931799
  H     17.79677945      8.20394081    -12.76403981
  O     10.93574986      7.05005375    -12.29549187
  H     14.23708653      9.85908446    -13.19951136
  H     15.57656515     12.51734828    -10.34545342
  O     17.74472204      9.61060941    -10.17718988
  H     16.43478934      7.30019434    -17.17542333
  H     15.12797658     11.06299975    -10.07820990
  O     13.11294334      5.13776505    -12.29749735
  H     17.04081534      6.32770592    -16.11889268
  H     14.63580027      8.82920507    -17.82184908
  O     17.16193227     11.47139961    -13.12396363
  H     16.82114936      7.67492236     -7.80208410
  H     14.71318190      7.85737758    -19.02432473
  O     18.41792998      8.94389993    -12.83879537
  H     16.91114037      8.48505775     -9.11848910
  H     12.02995436      8.09322499    -11.26551583
  O     15.59009004     11.63763995    -10.71601690
  H     19.68493539      8.98954147    -16.17594732
  H     12.97319714      9.28910152    -11.55118667
  O     14.86728461      7.92008872    -18.08545185
  H     18.34568777      8.22362839    -16.04259262
  H     11.84951807     11.84447447    -15.03250126
  O     12.74080774      8.62612430    -10.88685570
  H     17.50280327      4.40527335    -14.44877280
  H     12.78612754     10.95435222    -14.18823205
  O     12.32567348     11.01703581    -15.04059414
  H     16.77572630      5.68223374    -13.96654774
  H     13.55230746      6.20462000    -15.58000229
  O     13.36340077      7.11112924    -15.87015995
  H     13.57166425     10.59153069    -16.50364826
  H     13.78485058      7.25375558    -16.72459764
          69
 Energy    -248.56653631978671     
  O     11.74914933     10.00747844    -10.87597939
  H     12.09390002     10.57687795    -11.57405469
  H     14.53618166      6.86116330    -17.69056979
  O     13.87414301      7.16631970    -14.72483561
  H     11.29303529      9.28401289    -11.32439996
  H     17.39688505      6.22448382    -15.37759428
  O     17.75995136     11.26478477    -11.10685055
  H     14.61911396      7.74426507    -14.49598959
  H     16.46345879      6.06130759    -16.59449568
  O     17.13857637      8.89450696    -17.39028026
  H     14.09900005      6.69525536    -15.53438098
  H     15.50676914     11.69575186    -15.38243187
  O     11.86304605      9.01538691    -14.54918754
  H     17.71850572     12.04136950    -10.55493940
  H     14.79655459     13.04235527    -15.65291361
  O     16.29145464      6.95133277     -9.70602626
  H     16.84206477     10.99439619    -11.28157461
  H     15.72579789      9.21641180    -13.02765986
  O     13.34703895      6.38560404    -12.13750000
  H     16.29278144      8.80054267    -17.84037979
  H     16.29595264      9.37600925    -14.45779171
  O     15.26046188     10.31293328    -11.64959865
  H     17.35440303      8.01589277    -17.04471250
  H     18.88130439      7.24257342    -13.11143880
  O     14.46048556      8.48431163    -18.45609895
  H     11.29184512      8.62630735    -13.87803978
  H     20.42056167      7.35985905    -13.13027409
  O     15.76996824      5.06472552    -11.51998105
  H     12.56193663      8.35815660    -14.69642073
  H     11.65118044      7.10987512    -12.15295432
  O     16.96954860     10.76206031    -15.43989105
  H     15.51818978      7.52325333     -9.63639102
  H     10.11433820      7.07827483    -12.01731968
  O     14.59673747      6.03837568    -17.17702154
  H     17.05609185      7.52181861     -9.87600881
  H     19.25176240      9.63256211    -13.41015726
  O     17.35624689      6.31921407    -16.33749082
  H     14.07759726      5.81005021    -11.87893462
  H     18.63291452     10.87396401    -12.74272073
  O     14.64350016     12.14613496    -15.36468901
  H     13.51022948      6.60611508    -13.06706513
  H     16.84232871      5.87171761    -12.86484605
  O     15.91200689      8.73711557    -13.84433653
  H     14.88046672      9.65766908    -11.04827164
  H     16.84647943      7.24721405    -13.58280306
  O     19.62509516      7.81939762    -12.87268379
  H     14.52641544     10.68955686    -12.15461215
  H     18.92959895      8.28696163    -11.15077875
  O     10.84534059      7.63989225    -12.26418544
  H     14.29462126      8.77304161    -19.34980015
  H     18.26872255      9.51721363    -10.51339170
  O     18.95436370     10.53301851    -13.58712015
  H     13.97724789      9.09510763    -17.87096545
  H     12.54118826      9.84113998    -16.13188461
  O     17.33514250      6.41379725    -13.49096982
  H     16.00599170      5.70525789    -10.82140900
  H     13.64352246     10.89183362    -16.37858427
  O     18.42086803      8.57406289    -10.38318361
  H     15.93824708      4.19626338    -11.16479977
  H     13.13496795      8.99421701    -10.22389539
  O     13.15596435     10.17223919    -16.79789099
  H     17.74931849     10.76322316    -14.86455700
  H     13.72670775      7.70708243    -10.83924123
  O     13.90334626      8.40558881    -10.19473159
  H     17.13064408     10.17270819    -16.19339958
  H     12.67508802     10.41372797    -13.65657288
  O     13.12387699     11.14010854    -13.20114022
  H     14.24186370      5.34286178    -17.72510062
  H     13.60433478     11.62049884    -13.88756516
          69
 Energy    -248.56614974247043     
  O      0.57406048      0.88177405      3.06930221
  H      1.23133548      0.41372856      2.53361165
  H     -2.75654639      3.11190290      6.05559458
  O     -0.87166705      0.17041182      5.37018312
  H     -0.28935649      0.72260121      2.66007290
  H      0.53686010      3.50425298      1.01330648
  O     -4.18188930     -1.15700855     -1.55055278
  H     -0.23277499      0.38721630      4.67751659
  H     -0.75562752      3.42629603      0.17791892
  O     -1.06875061     -3.37077980     -1.52934864
  H     -1.42745976      0.95178728      5.46971018
  H     -3.04071108      0.21099952     -1.06779366
  O      0.72051874     -2.61120276      0.52506945
  H     -4.24767290     -1.59456992     -2.39551770
  H     -1.50355704      0.32863799     -0.98323581
  O     -4.47928249     -1.70843208      4.10913885
  H     -3.83073799     -1.81095587     -0.92184018
  H     -2.64278909      0.48248098      2.52959240
  O      1.01977702      3.54713476      2.82635316
  H     -1.85905922     -3.35930621     -0.97548157
  H     -2.08627481      0.42549248      1.07037653
  O     -0.06980085     -0.63396101     -1.33940461
  H     -0.90336445     -2.45200910     -1.77432746
  H     -2.60508187     -2.84528554      1.01393265
  O     -5.30468612      2.39932540      1.47645831
  H      0.31563155     -3.14062881     -0.17438059
  H     -4.12437866     -2.96130740      0.80758392
  O     -4.07432785      0.98738058      3.57439131
  H      0.08286725     -2.61602143      1.25401679
  H      1.89784838     -1.20625928      1.02908584
  O     -2.69791244      3.17596661      0.54957103
  H     -3.64610913     -1.99215722      4.50217539
  H      2.20174429      0.22096748      0.50796437
  O     -2.56711709      2.50111305      5.34892489
  H     -4.40839782     -0.75028393      3.99169682
  H     -2.07984104      3.62114688      2.27897869
  O      0.20075415      3.32802411      0.12467446
  H      0.91915193      2.58860418      2.96897216
  H     -0.79359468      3.87893313      3.09507662
  O     -2.32948274      0.75755985     -0.71446587
  H      1.82839799      3.80953052      3.25684214
  H      2.42325529      1.84202281     -1.54158855
  O     -1.88846112      0.21348449      1.99057664
  H      0.60533382      0.05604993     -1.38166276
  H      1.20859078      2.10814165     -0.62300750
  O     -3.28303825     -2.95174038      0.33174955
  H      0.20844303     -1.22999947     -0.63001208
  H     -1.50667979     -1.44825016      5.23401334
  O      2.24623302     -0.34312670      1.28946027
  H     -6.10875700      2.91219778      1.46261221
  H     -1.60426978     -2.86643400      5.84107240
  O     -1.75560253      3.83248723      3.16340295
  H     -5.51957785      1.53320920      1.08440960
  H     -1.49065237     -2.60003638      3.26288699
  O      1.78239151      1.40936334     -0.98370718
  H     -4.54275857      1.56319000      2.95760973
  H     -1.55346367     -1.49367663      2.19320094
  O     -1.87239461     -2.34009252      5.09283985
  H     -3.65930510      1.53841396      4.25104675
  H     -6.35669993     -3.16337020      2.06304372
  O     -1.38620044     -2.44171913      2.31845593
  H     -3.61653151      3.08452316      0.83077666
  H     -5.22282137     -2.32048056      2.69492240
  O     -5.62649750     -2.58909430      1.84901506
  H     -2.53866357      2.39267690      0.00097202
  H     -5.85648521     -0.86976292      1.02833387
  O     -5.82118329     -0.07383080      0.48397208
  H     -2.26317434      3.03124877      4.58862605
  H     -5.39021769     -0.35286437     -0.33288991
          69
 Energy    -248.56578822214300     
  O     14.90380938      9.79029719    -15.85949656
  H     14.91374407      9.48043304    -16.77234336
  H     17.69902859      5.32493680    -15.62159604
  O     17.67873714      4.54457610    -13.97583909
  H     14.16769751      9.37440172    -15.38660938
  H     20.78678072      5.32704452    -12.51695054
  O     15.34043898     12.15545527     -9.91955834
  H     18.49630735      4.84042971    -13.55310719
  H     20.23425193      6.34853275    -13.53892811
  O     19.21170752      9.77113765    -14.11887283
  H     16.97062536      5.03629367    -13.54497839
  H     18.43262198     10.96549401    -16.75326738
  O     15.05321141      6.23233540    -17.37540723
  H     15.42109937     11.81484881    -10.82612998
  H     19.14308267     12.32448230    -16.54917281
  O     16.02432726      8.11920613     -9.50530373
  H     14.43466183     12.43684378     -9.82164406
  H     17.75716061      8.76667488    -14.62168712
  O     15.79303784      6.59146335    -13.08631951
  H     19.00672016     10.00467364    -13.20410759
  H     16.30703553      8.83017445    -15.20998307
  O     15.83522105     10.91541624    -12.32379998
  H     19.08116533     10.54137255    -14.68652597
  H     13.34023506      8.53167939    -13.36603084
  O     20.58861503      7.47384399    -14.80822404
  H     15.95515997      5.99045775    -17.12179238
  H     13.10649255      7.53609358    -14.51973808
  O     13.77295164      5.73962853    -14.84443760
  H     14.51002568      6.04862288    -16.60070100
  H     17.24250453      6.89356686    -11.91546984
  O     19.68622738      7.24670618    -17.55068418
  H     16.41436242      8.93978037     -9.18049881
  H     18.75651820      6.66130254    -11.74555014
  O     17.62244952      5.98130379    -16.32739680
  H     16.75170850      7.64671717     -9.92816056
  H     16.63610096     11.23004147     -9.18293967
  O     19.98533996      5.75290159    -12.80934996
  H     15.23964441      7.19358709    -12.56619274
  H     17.72025093     10.96689340     -8.11158947
  O     18.63415416     11.65698474    -16.09703062
  H     16.24515840      7.14917359    -13.74230513
  H     18.25066631      8.93988928    -11.44862380
  O     16.99042521      8.23693090    -14.87044526
  H     16.70921266     10.56456585    -12.10836022
  H     18.16532374     10.22609136    -10.59376669
  O     13.06732454      8.47211545    -14.29040032
  H     15.90809781     11.38015306    -13.17004265
  H     18.67144152      8.85705936    -17.79092698
  O     18.00259268      7.13435466    -11.37091837
  H     20.22575256      8.33367302    -14.54982767
  H     17.22010235      9.32155721    -18.06826081
  O     17.35646599     10.62823907     -8.92519970
  H     20.41912133      7.39108430    -15.75247019
  H     14.80501910      8.39561953    -10.87540615
  O     18.32287038      9.90524662    -11.49012249
  H     13.37187532      4.91712816    -14.57159119
  H     14.84310298      9.41615935    -12.02790950
  O     18.10145759      9.63435243    -17.83291172
  H     14.48207220      5.92494450    -14.20965579
  H     16.96787968     12.03571789    -15.23425887
  O     14.44115184      8.57828260    -11.75361672
  H     18.97397006      6.68165810    -17.20304532
  H     15.59816915     11.33482200    -15.24213707
  O     16.11263056     12.02127421    -14.79072951
  H     20.10298355      6.76031174    -18.25774265
  H     14.96948283      8.80323944    -19.23846353
  O     15.41489302      8.70932371    -18.40053461
  H     17.42114424      6.82241056    -15.88607863
  H     15.24927672      7.79961855    -18.09471715
          69
 Energy    -248.56578583938156     
  O      0.71403108     11.54786433      1.90068158
  H      0.50534548     12.28005104      2.50277287
  H     -1.10928120     10.80939286      2.16681554
  O      0.00700862     15.04964650     -0.46398390
  H      0.41170469     11.80571255      1.01214726
  H      4.59112263      7.98280316      1.66298810
  O     -2.51413522     11.85646206     -1.67113907
  H      0.00293281     14.07976824     -0.44394273
  H      4.47283998      9.45047365      1.18555767
  O     -3.64405098     12.26810493      0.85099815
  H      0.66336751     15.29715714     -1.13499844
  H     -0.26074822      8.28775009      0.79559533
  O      3.67348506     13.22991984     -1.50793044
  H     -3.04895815     11.94883467     -0.87180275
  H     -1.24437121      7.10848048      0.97998651
  O      5.12621617     11.06182547      1.08902204
  H     -2.29786744     10.91871996     -1.79268799
  H      3.22342661      8.93532605     -2.00815215
  O      5.62526658     11.24380950     -1.73172721
  H     -3.10283093     11.60229515      1.31219688
  H      4.16665848      8.66520260     -0.82154132
  O      1.34932097      9.07737108      0.81584712
  H     -4.51919214     12.22251691      1.22749519
  H     -0.29593997     13.99782787     -3.93901767
  O     -0.00547943     12.29255320     -0.58904179
  H      3.46721653     13.17025828     -0.56462144
  H      0.36635612     14.00518287     -5.33815596
  O     -1.64215127     14.23534836     -2.85383996
  H      4.42812136     12.64700219     -1.66302253
  H      1.31351366      9.25650844     -1.08637056
  O      3.08023319     13.01570805      1.22522415
  H      5.44305485     11.18737069      0.18575645
  H      1.44082424     10.12628341     -2.37672666
  O     -1.98937080     10.45672515      1.99784624
  H      4.52098641     11.79388491      1.26343329
  H     -0.63035928      9.20662940     -2.09298141
  O      4.07620734      8.56381458      1.10967472
  H      6.42391235     11.12429652     -2.23836680
  H     -1.59225026      8.80211725     -0.97470360
  O     -1.19900638      8.03537867      0.75938257
  H      5.10727604     10.42380414     -1.82390455
  H      1.15814035     15.42618745      0.94515124
  O      4.15018454      8.96184713     -1.73961805
  H      1.19163452      9.90799032      1.28631406
  H      2.08089585     16.41163591      1.69180567
  O      0.54382946     13.85995948     -4.41306158
  H      2.26718817      8.82551974      0.97801192
  H     -2.60504171     13.84449557      1.26239255
  O      1.32588152      9.21969833     -2.05290778
  H      0.58929769     12.13649047     -1.33391578
  H     -1.51828588     14.86047122      0.82409711
  O     -1.54773076      9.29030655     -1.80509685
  H     -0.89747034     12.08996074     -0.90089715
  H      2.40352094     12.31464517     -2.39642951
  O      1.82119734     15.49429895      1.64997097
  H     -2.05102980     13.41619807     -2.53744090
  H      1.26395937     12.45733435     -3.44680084
  O     -2.01834133     14.54015825      1.58265050
  H     -1.32359961     14.69641224     -2.07230619
  H      1.56646304     14.95933819     -3.17339129
  O      1.63323360     11.86857832     -2.77643942
  H      2.79877765     13.91457244      1.43933884
  H      2.66364117     14.73714592     -2.11508106
  O      1.94733882     15.33387117     -2.36941168
  H      2.35150884     12.44038413      1.48823914
  H     -0.74616082     14.06297989      2.79736265
  O      0.07896971     13.80646618      3.23820533
  H     -1.85065158      9.57730790      1.62448487
  H      0.72322752     14.46931436      2.96797485
          69
 Energy    -248.56572903734730     
  O     21.91888702      6.90810660    -10.98284040
  H     21.47536897      6.03901809    -10.95389699
  H     16.05038055      9.31033097    -13.97848357
  O     15.62896010      8.43567176    -10.23151594
  H     22.82871343      6.76278324    -10.74077342
  H     18.85909489      7.03129051    -12.75608387
  O     13.09406728     10.31396065    -13.82729807
  H     15.23680885      7.61224738    -10.55895948
  H     17.47793115      7.66586184    -12.54045640
  O     11.81969540      7.72948065    -13.83020924
  H     16.28629970      8.20399178     -9.56501377
  H     15.06302054      6.01814005    -14.34092343
  O     18.00548840      5.42967139    -10.15044154
  H     12.70988068     11.18099112    -13.92820101
  H     14.74943251      7.52944464    -14.36694719
  O     14.28651504      6.25369813    -11.36508190
  H     13.19635159     10.16585130    -12.87007517
  H     18.56438932      8.07246253     -8.90355717
  O     20.55004324      4.63108249    -11.02365519
  H     12.08992534      8.64721096    -13.95755606
  H     17.83683408      7.82352375     -7.56002344
  O     15.93890633      3.91971934    -11.21533923
  H     12.60484201      7.20717803    -14.04952599
  H     19.14992536      6.83023981    -15.71030301
  O     17.19574187      2.80928887    -13.35158444
  H     17.89867340      6.09888533     -9.46592301
  H     20.44037575      6.20698126    -16.28459103
  O     20.51488713      7.88375239    -13.18594103
  H     17.95488779      5.90071984    -10.99745675
  H     12.64181929      8.97663875    -11.03511758
  O     19.80691546      4.05245955    -13.62631866
  H     14.36036609      6.40262973    -12.31948778
  H     14.07864262      9.42714224    -10.73751191
  O     15.50931482      9.14087684    -14.76559486
  H     13.37483807      6.47425490    -11.13770539
  H     19.85488162      9.28004228    -10.43053845
  O     17.93799220      6.81722029    -12.56553268
  H     19.69500435      4.77309099    -10.59744525
  H     20.67539287      8.03408966    -10.05219679
  O     14.38536917      6.66868432    -14.11592171
  H     20.35930300      4.35748682    -11.93317968
  H     20.06232583     10.96957834    -12.40550087
  O     17.74822068      7.72108513     -8.50385936
  H     15.26626301      4.61035004    -11.25086989
  H     19.95117800      9.43349892    -12.57207602
  O     19.99201795      6.40698995    -15.46667801
  H     16.66218938      4.30473905    -10.70047435
  H     17.12996698      5.75370092    -13.82290214
  O     13.25904567      9.70849330    -11.16218503
  H     17.02050390      1.87375010    -13.39772000
  H     16.77798052      4.32273880    -14.29052376
  O     19.98613353      8.62861264     -9.73142033
  H     16.72359921      3.14497945    -12.56769675
  H     17.14244681      6.59634776    -15.69648154
  O     19.59574945     10.20062417    -12.08839097
  H     21.11172372      7.47343568    -12.54544680
  H     16.90019878      8.11115938    -15.78717404
  O     16.68522613      5.25282097    -14.52527945
  H     20.51276380      7.37204482    -14.00537601
  H     11.61093610      7.42545979    -12.11336754
  O     17.51928870      7.41913545    -16.04318632
  H     18.95180588      3.60572355    -13.59684891
  H     10.80303938      7.06139776    -10.84413373
  O     11.66868013      7.32151568    -11.14603568
  H     19.74228744      4.74107095    -14.29548606
  H     17.78371164      9.81618172    -12.24919179
  O     16.92427806      9.42088369    -12.43857746
  H     14.69120623      9.63385060    -14.62456599
  H     16.48223073      9.21170110    -11.60292100
          69
 Ord_Energy   -248.565704    
 O   -6.23332119       4.06836383E-02  0.927797318    
 H   -6.17242765     -0.849916279      0.592742920    
 H   -6.77035570      -3.12299991E-04   1.74161756    
 O   -6.98149824       4.09164906      -1.96011984    
 H   -7.24120474       3.31179857      -1.44914734    
 H   -6.11995649       4.36479664      -1.62391412    
 O   -10.7827110       5.48414516      0.948361397    
 H   -11.5209675       5.88348484      0.494810969    
 H   -9.99556065       5.64779568      0.399050176    
 O   -3.38976359      0.842428386       6.37508821    
 H   -2.88087964       1.23590374       5.64298820    
 H   -2.88667417       9.92193297E-02   6.69559717    
 O   -8.37580395       5.72884703     -0.251321495    
 H   -8.03191471       5.24812031      -1.01771069    
 H   -8.02281761       5.26233244      0.524455547    
 O   -7.32800245       4.14196062       1.76315820    
 H   -7.73093891       4.11088324       2.63894081    
 H   -6.37118864       4.21361017       1.86082292    
 O   -7.61050653      0.108543642       3.24309301    
 H   -6.98806810      0.463894457       3.89283299    
 H   -8.44016171      0.580634892       3.37866735    
 O   -2.59265256       4.83191633       5.20778894    
 H   -1.90395749       5.48943377       5.27421856    
 H   -3.36382818       5.27766609       4.82167244    
 O   -4.54657030       4.27716684       1.82222807    
 H   -4.40000296       3.32471967       1.90777457    
 H   -4.43922329       4.53929090      0.898879111    
 O   -4.89072418       5.80820608       4.02605915    
 H   -4.70530653       5.30508280       3.21645141    
 H   -5.51077938       6.50693417       3.78568125    
 O   -4.03713942       3.47917557       7.31406307    
 H   -3.44585776       3.97180867       6.73049831    
 H   -3.80413580       2.55081248       7.18884087    
 O   -4.34600496       1.60399568       2.36822438    
 H   -4.81002569       1.53250265       3.21640062    
 H   -4.84197569       1.05153859       1.75254369    
 O   -10.3822155       2.61708832       1.16055238    
 H   -10.5577545       3.56083870       1.06741655    
 H   -9.63309288       2.40761685      0.587544084    
 O   -7.84626245       2.15399384      -7.14966133E-02
 H   -7.31601763       1.37991309      0.149596989    
 H   -7.65095568       2.81558752      0.611266553    
 O   -2.24419999       2.12290359       4.26641989    
 H   -2.78533411       1.95321178       3.48564219    
 H   -2.32062793       3.06474853       4.46540833    
 O   -5.67371702       1.35457671       4.81327105    
 H   -4.98176432       1.04491746       5.41081858    
 H   -5.90472603       2.25055122       5.09337521    
 O   -4.59832621       5.32404852     -0.744842470    
 H   -3.94648266       5.67760801      -1.34476030    
 H   -5.08979082       6.08519793     -0.385121077    
 O   -8.57268620       4.03774786       4.27770472    
 H   -9.04520512       3.19877887       4.21070910    
 H   -7.85425615       3.94653940       4.91783285    
 O   -6.20062876       3.95268893       5.68217421    
 H   -5.57840490       3.81584239       6.41111231    
 H   -5.80650997       4.62985468       5.11545181    
 O   -9.95232296       1.67350006       3.65395308    
 H   -10.1586609       1.98364115       2.75315332    
 H   -10.7593584       1.31589925       4.01456833    
 O   -9.25963211       6.49933100       3.20693278    
 H   -9.12194920       5.68408680       3.71113276    
 H   -9.86228752       6.25993776       2.49468875    
 O   -6.13803244       7.28901196      0.345998049    
 H   -6.26243067       7.48394012       1.28162098    
 H   -6.99072409       6.94696856       4.21229899E-02
 O   -6.79862165       7.67286158       3.12540436    
 H   -6.90412283       8.56171799       3.45642614    
 H   -7.68563414       7.27171087       3.13392854    
          69
 Energy    -248.56562452895065     
  O     -0.97996896      2.14619486      3.01068581
  H     -1.66456347      2.09496278      2.33196631
  H      1.38142596      1.67172074      0.76176228
  O     -2.75410564      5.34335268      1.26573027
  H     -0.86144004      3.09186452      3.17631281
  H     -1.91383383      4.75821387     -3.11271763
  O      3.33280599      6.18483162      0.46224047
  H     -2.17088795      5.30527633      2.03486304
  H     -1.04393311      3.79414510     -2.26860493
  O      1.75827073      7.83980685      1.94015079
  H     -2.23523647      5.78469673      0.57523080
  H     -2.79082083      1.93786168     -2.34828590
  O     -1.08855719      6.38713098     -0.64661733
  H      3.95791349      5.45269823      0.48225246
  H     -3.74431063      2.90920388     -3.06624297
  O      3.26403980      3.14486082     -1.63648291
  H      3.26236664      6.50823374     -0.44871617
  H      2.54667073      2.86635504      2.87595534
  O      0.85191973      4.76814813      0.54559983
  H      2.45752687      7.35325974      1.47437745
  H      3.64488803      3.70299052      2.19584436
  O     -1.23206952      2.28436995     -1.31493267
  H      1.62664739      7.33838412      2.75043174
  H     -5.06792715      4.08001364     -0.58318120
  O     -0.55192086      4.90920633      2.96871803
  H     -0.57325700      7.20332458     -0.68710567
  H     -4.20393032      5.21557631      0.00320651
  O     -2.84372200      2.56697023      0.93335141
  H     -1.04528786      5.92493293     -1.49344713
  H     -4.31927963      5.32835182     -3.87987162
  O      0.61066637      8.56051025     -0.42434924
  H      2.57579033      2.63611476     -1.18251067
  H     -4.10328108      4.97119581     -2.39066489
  O      1.22298451      2.12178466     -0.07570806
  H      2.79778364      3.74941674     -2.22329558
  H      1.68769034      0.44512728      3.03706990
  O     -1.01537427      4.61159018     -2.79014234
  H      0.21137008      5.33761645      0.10170927
  H      0.61170986      1.52715814      2.78006374
  O     -3.69058126      2.02086257     -2.69310500
  H      1.69396138      5.24023469      0.57155209
  H      1.81772004      4.77395671     -4.29047331
  O      3.03462543      3.69642547      2.94205051
  H     -0.35022297      2.05678328     -0.99292886
  H      0.71624944      4.78900375     -3.21204185
  O     -4.74488285      4.97311572     -0.75830617
  H     -1.78387480      2.37798058     -0.52475817
  H      2.21313965      6.01475600      4.95505039
  O     -3.74568972      4.84844457     -3.28867267
  H      0.09408109      5.30125810      3.56719724
  H      2.27773984      5.12662414      3.69518717
  O      1.53227076      1.27065132      2.58672242
  H     -0.06992408      4.79858990      2.13460681
  H      4.26201757      3.51904838     -0.24993711
  O      1.66990390      4.89738054     -3.35491198
  H     -3.71880188      2.32904537      0.60472375
  H      5.63073225      3.50042626      0.46955974
  O      1.80679659      5.87470783      4.10390960
  H     -2.84208687      3.52735553      1.05888874
  H     -5.99695749      1.56843492     -0.46561520
  O      4.72313037      3.77449102      0.56921492
  H      0.96395088      8.35694495      0.46096345
  H     -4.76835695      2.01760540     -1.29534397
  O     -5.25606318      2.16775002     -0.46558763
  H      0.49412336      9.50633444     -0.45930515
  H      2.26569742      6.47255350     -2.49421098
  O      2.65015789      7.19420075     -1.98056040
  H      1.07865028      3.05682755      0.14827318
  H      1.92001380      7.70489194     -1.60999855
          69
 Energy    -248.56545151804755     
  O     10.86776359     10.77003615    -11.36326793
  H     10.26641016     11.47602506    -11.58744272
  H     19.34593299      6.26689618    -16.43314913
  O     13.97325641      7.33981880    -15.30511209
  H     11.66810640     10.92558885    -11.88947695
  H     14.33909124     11.63480839    -15.58517006
  O     17.00777757      9.89263728    -10.08481733
  H     13.24094001      7.95770488    -15.16283562
  H     14.78573823     13.05403338    -15.15970696
  O     17.57373806      8.87531364    -16.79088359
  H     14.70777286      7.64593971    -14.74875295
  H     15.55134350      8.49075239    -12.79642903
  O     11.95742990      9.17280754    -14.76763105
  H     17.63868426     10.12090045    -10.77886513
  H     16.53109707      7.44538097    -13.46302457
  O     15.68225882      5.85116770     -9.97554465
  H     17.32214228      9.06683679     -9.69373259
  H      9.95474619      8.06897226     -9.95381639
  O     13.30215898      5.69577251    -13.11108531
  H     16.68891914      8.76704061    -17.16106794
  H     10.71210994      9.10175889    -10.82125657
  O     14.72651033      9.28829561    -11.42542018
  H     17.50051898      9.54490533    -16.10027163
  H     18.79813650      7.42289139    -10.83614831
  O     14.90227219      8.35146309    -17.68195442
  H     12.31590016      9.76151435    -14.08950212
  H     19.10328135      8.44111914    -11.95688920
  O     15.71455884      4.36885968    -12.42811957
  H     11.41431383      8.51429860    -14.31058450
  H     11.49679638      6.47971381    -13.22737154
  O     17.07639745     10.50144477    -14.48753357
  H     14.80904647      6.26061433    -10.03023561
  H     10.63844161      7.43406128    -12.37707220
  O     18.54798066      6.45000920    -15.94406642
  H     15.73739730      5.25945047    -10.73501919
  H     19.51456773     10.91402519    -12.39590948
  O     14.79447239     12.14021236    -14.88692682
  H     14.05923764      5.13234062    -12.90658811
  H     18.22825198     10.43661931    -13.09944277
  O     15.93456593      8.18560766    -13.63036181
  H     13.52692640      6.15891203    -13.92966754
  H     17.97849914      6.08131873    -14.30941135
  O     10.65843045      8.15814508    -10.59134637
  H     14.24259593      8.55130690    -11.03148142
  H     18.26241291      6.45326601    -12.81103773
  O     19.15770461      7.50536857    -11.72903573
  H     15.46929878      9.53724401    -10.85613256
  H     17.05999385      6.77702982     -9.46848550
  O     10.80233446      7.14731022    -13.28359299
  H     14.70559899      7.80622191    -18.43988805
  H     18.12979204      7.00902217     -8.37675976
  O     18.78188442     10.30814642    -12.31251442
  H     14.58261635      7.86883813    -16.90065891
  H     13.95978923      9.92670551    -17.14480051
  O     17.64142537      6.00368771    -13.40475064
  H     15.96503528      3.45560149    -12.54164517
  H     12.79133691     10.14232925    -16.15847649
  O     17.83207686      7.31952233     -9.22746722
  H     16.42983488      4.90563213    -12.81365760
  H     13.23901616      6.61183258    -11.51971904
  O     13.46564995     10.60761047    -16.67262093
  H     16.36254100     11.13794071    -14.61090935
  H     12.36171459      7.40912362    -10.51680015
  O     13.25401845      7.07579520    -10.66921374
  H     16.65868988      9.66198053    -14.23188037
  H     13.70686778     11.44644493    -13.49864202
  O     13.14970717     10.92894286    -12.90711971
  H     18.23072817      7.31006146    -16.26597344
  H     13.73873130     10.38908054    -12.35603992
          69
 Energy    -248.56544897787731     
  O     -2.66637235     12.46656589      8.69627703
  H     -3.51324221     12.88432276      8.50003570
  H     -1.58331120     12.89149833      7.36940575
  O     -4.04623227      8.87563487      4.33432730
  H     -2.81188129     11.51328025      8.63492418
  H     -5.14927575     14.26700815      6.17699574
  O     -2.30890030     14.74096253      4.67024525
  H     -3.55790045      9.63421082      4.68862495
  H     -5.21961925     13.66389366      4.75075566
  O     -6.59454006      9.96807377      4.91220754
  H     -4.97110130      9.02400924      4.55890166
  H      0.44659623     11.18597895      4.82053142
  O     -0.93703347      9.07569761      6.70252684
  H     -3.24338610     14.67575454      4.90491139
  H      1.73494156     11.16830398      5.67715142
  O     -3.49969066      9.58435573      1.61537651
  H     -1.81780450     14.25721717      5.34953851
  H     -4.74939780     10.35492148      7.59749710
  O     -4.12212371     12.34714743      1.39682870
  H     -6.21056410     10.75991760      4.49631717
  H     -5.96827249     10.44571574      6.63498221
  O     -3.10604869      9.68261203      8.20640859
  H     -7.46387540      9.85089242      4.53852497
  H     -1.68557925     14.17305171      1.61592570
  O     -1.48267058      7.72743976      4.33026202
  H     -1.05914378      8.53024777      5.91173341
  H     -1.90000898     13.87173754      3.11873217
  O     -0.88832548      8.94227115      1.74274161
  H     -0.29081496      9.74835769      6.46441065
  H     -3.67482988     16.95073064      3.07994406
  O     -0.42918219     11.21277241      3.27030398
  H     -3.80393328     10.48388672      1.44214048
  H     -2.40809760     16.32644323      3.67727423
  O     -1.18769600     13.04935233      6.49903742
  H     -3.82496745      9.33282331      2.48935679
  H     -1.62633605     16.30849349      0.06151940
  O     -5.07490473     14.48785156      5.24015610
  H     -4.53016575     13.15486329      1.05308779
  H     -2.25595850     16.28334954      1.47597887
  O      0.78307842     11.18658934      5.73335155
  H     -3.24325274     12.61966975      1.69629196
  H     -5.43234235     12.54330231      7.69080446
  O     -5.55491764     10.85258488      7.40420308
  H     -2.34194223      9.46673509      7.64352659
  H     -5.84153183     13.75242680      8.56641633
  O     -1.68084151     13.46181981      2.26823759
  H     -3.11621100      9.02725740      8.89999659
  H     -3.97930793     15.24395496      0.60862311
  O     -2.71147306     16.96873179      3.01994753
  H     -1.16697056      8.01482985      3.46695598
  H     -5.16625572     15.40714045      1.57238281
  O     -2.10009152     15.75239868      0.67369738
  H     -2.43497145      7.89678713      4.32326946
  H     -5.42203597     15.74577181      3.99605117
  O     -5.25932101     13.48864703      7.85800413
  H     -1.83257444      9.13960087      1.59985123
  H     -6.27315522     16.89332416      3.41186514
  O     -4.87107543     14.92221554      0.79253121
  H     -0.57966531      8.48879006      0.96355082
  H     -2.36740351     11.85321894      5.58904634
  O     -5.50300040     16.35531836      3.24442122
  H     -0.74417535     11.99811540      2.80058116
  H     -2.02232941     11.15542945      4.27054027
  O     -2.74242868     11.29344345      4.89980120
  H     -0.49842886     10.45018689      2.68091220
  H     -4.97147366     12.19458653      2.97303524
  O     -5.17273315     12.08829031      3.91242441
  H     -0.41757001     12.47831403      6.39680573
  H     -4.33508653     11.82807025      4.32851614
          69
 Energy    -248.56543376537050     
  O      9.70046915     12.00526820    -10.51604057
  H      9.94779433     11.71452449    -11.40966341
  H     12.89872801     13.55759522    -13.16183095
  O     13.36710899      9.18034875    -16.60027396
  H      8.77256280     12.22500014    -10.54485464
  H     16.43174748      8.99190847     -9.58966777
  O     11.16479961      7.45807280    -10.55951536
  H     13.00946208     10.07882648    -16.48003414
  H     16.62420343      8.46895333    -11.03360335
  O     14.11288603      8.42339670    -14.02175853
  H     13.71933646      9.14279213    -17.48537649
  H     15.27828976      7.59540680    -12.96664324
  O     12.19801570     11.60114767    -16.19683110
  H     10.95848072      8.21391516     -9.99352321
  H     16.27892902      6.45253887    -12.68085203
  O     11.54657080      8.56716911    -13.03254655
  H     12.09288903      7.25343515    -10.37864139
  H     13.51504548     15.74088878    -11.94294272
  O     15.37756620      8.42074100     -8.06362326
  H     13.97513599      8.59967046    -14.96138393
  H     14.17516767     14.41302995    -11.50555696
  O     13.48468193     10.19877696    -10.66618811
  H     13.23342400      8.42167608    -13.61103799
  H     14.43709794      7.60103100     -9.41386100
  O     13.31267489     10.01533652     -7.30513972
  H     12.44146910     12.13622564    -15.42967339
  H     14.59610125      7.17442597    -10.90190155
  O     15.50995904     13.61265284    -10.71924418
  H     11.25066614     11.43919887    -16.11130590
  H     18.03587956     11.60344180    -12.02511976
  O     11.13469015      9.93327471     -9.18882688
  H     11.34196245      8.10434244    -12.20745108
  H     17.07978658     10.68074973    -11.23324591
  O     12.75225777     12.77091104    -13.70057805
  H     11.24828693      9.47944684    -12.93112708
  H     10.07322689     11.12068155    -13.84669378
  O     16.89537603      9.16115999    -10.41834541
  H     15.78701825      8.05292547     -7.28499153
  H     11.31348119     11.80624375    -13.21228774
  O     15.85699405      7.21180170    -12.28622527
  H     14.65221121      8.99046256     -7.75087125
  H     13.19837682     12.81695359     -8.97140049
  O     13.36846370     14.79998504    -11.89233148
  H     13.85904812     10.50141717    -11.50088982
  H     13.88717277     11.51704010     -9.44588303
  O     13.94872726      7.40500974    -10.22516988
  H     13.68615336      9.25841034    -10.58273635
  H     14.64200242     10.09572264    -13.47360295
  O     17.11915681     11.47366227    -11.79747089
  H     12.45204687      9.88465308     -7.72177630
  H     15.59373765     11.12745605    -12.75511255
  O     10.55376782     11.23747655    -13.01725101
  H     13.59111730     10.89866760     -7.58657181
  H      8.68491491     10.78365594    -16.05691890
  O     13.97591513     12.25568667     -8.82454088
  H     15.10077022     13.20155708     -9.94389448
  H      9.85609564      9.84290495    -15.68266025
  O     14.69730223     10.97585616    -13.08052723
  H     16.12236754     12.95937773    -11.07286705
  H     12.20637142     14.15540845    -10.46697066
  O      9.51609164     10.75155127    -15.59180514
  H     11.91749713     10.06481224     -9.74667315
  H     11.07334006     13.22509669     -9.96617462
  O     11.82523214     13.75507833     -9.67631610
  H     10.51586542     10.61787451     -9.46546395
  H     10.93912475      8.23672464    -14.75114183
  O     10.74047808      8.33168465    -15.69458624
  H     13.48896936     12.16880967    -13.51154625
  H     11.59391028      8.45784471    -16.12493346
          69
 Energy    -248.56528669327179     
  O     14.54685375      6.21868886     -8.63489299
  H     15.25213195      5.82739186     -9.16954818
  H     13.06928465      8.38397953    -13.86129827
  O     14.03535980      7.34998905    -16.38792967
  H     13.73921862      6.14481487     -9.15636477
  H     16.56303989     10.72634865    -12.74655906
  O     17.34323605      8.38776467    -14.96755091
  H     13.30798603      7.62696153    -15.81488171
  H     17.10770418      9.44717982    -13.49091575
  O     15.69088692     12.31541780    -12.94049015
  H     14.48847215      8.16116563    -16.64514865
  H     13.99236669      8.76874220    -11.88579804
  O     10.68383686      6.70146486    -12.81622432
  H     16.82068383      7.57648195    -14.87671807
  H     15.26068465      8.97392634    -12.74719190
  O     18.81995228      4.39206631    -11.65102201
  H     18.26829343      8.14140189    -14.83707411
  H     19.84490030      7.40788923    -13.33410197
  O     17.39995463      8.29270480    -10.39524050
  H     15.28738453     12.16921292    -13.81638633
  H     20.77943907      7.61420302    -14.55005134
  O     13.15000812     11.51423873    -11.76095859
  H     15.99150505     13.21986993    -12.92065900
  H     15.30970529      5.63759304    -11.72010733
  O     18.42204880      4.95213901    -14.27564465
  H     11.18384851      6.58173431    -11.99478474
  H     14.58901957      6.76085605    -12.51650992
  O     14.48727485     11.73792050    -15.26836210
  H     10.14752527      5.91772468    -12.91085015
  H     16.15517452      9.79323729    -17.61798683
  O     11.90939411     11.02065390    -14.33214412
  H     19.26952662      3.55809762    -11.54681198
  H     16.35729237      9.26244224    -16.18119327
  O     12.26826377      8.31993922    -14.40482979
  H     18.65139761      4.50521788    -12.60386869
  H     15.21407183      6.33952556    -15.46783851
  O     16.86599496      9.81609349    -12.63041185
  H     17.23161230      8.87083927    -11.15409972
  H     15.41551520      5.78356579    -14.03178671
  O     14.42055655      8.50431511    -12.71250882
  H     16.79961535      8.57068244     -9.69329533
  H     19.02102379      7.59628301    -11.10073960
  O     19.87105742      7.45839642    -14.30695967
  H     14.01651447     11.83514418    -12.03615428
  H     19.50220104      6.18705449    -11.50798828
  O     14.60605402      5.80185302    -12.36380545
  H     12.64925171     11.39164369    -12.57709203
  H     13.14395207      6.15652012    -11.24839111
  O     15.71220190      9.67273958    -16.78091072
  H     18.97731864      5.72409376    -14.43585439
  H     12.62574793      7.42954984    -10.50149934
  O     15.88107648      6.00939066    -14.84761809
  H     17.53410265      5.19506591    -14.57173985
  H     17.33977778      5.07817799    -10.78178682
  O     19.68573697      7.12821760    -11.62154188
  H     13.57133517     11.50690600    -15.06703966
  H     16.90173217      6.53241483    -10.46119388
  O     12.45772774      6.48652873    -10.64891605
  H     14.84088172     11.04208484    -15.83560311
  H     15.42732638      9.11360816     -7.57739744
  O     16.60435465      5.61052321    -10.45566875
  H     11.03161819     11.28228220    -14.59801317
  H     15.06343565      7.87495073     -8.43218830
  O     15.35797823      8.80334465     -8.47652046
  H     11.94618387     10.05145216    -14.40169027
  H     13.93580198      9.21657488     -9.66111240
  O     13.23332727      9.18698072    -10.32228590
  H     11.65303754      7.74268959    -13.93120022
  H     13.12297636     10.07701085    -10.69195345
          69
 Ord_Energy   -248.565170    
 O   0.710456312       8.90326500      -7.91812706    
 H    1.19877470       8.48921299      -8.64129257    
 H   0.584050179       8.20722198      -7.25751066    
 O    3.68041945       11.6844978      -9.66078758    
 H    3.98057890       10.8002262      -9.90295029    
 H    3.59416747       12.1745682      -10.4885654    
 O    2.77315545       10.1700449      -12.7186556    
 H    2.92321873       11.1245203      -12.6786003    
 H    3.36660933       9.76108837      -12.0739794    
 O   -2.62091589       11.5250063      -9.44301414    
 H   -2.01474166       12.2682362      -9.34853268    
 H   -3.02931809       11.6201773      -10.3124771    
 O   0.400943637       6.83508110      -11.8905935    
 H  -0.377179235       7.36514616      -11.6528950    
 H   0.709495306       7.18495274      -12.7338638    
 O   -2.05040050       9.02839279      -8.46450806    
 H   -2.33112741       9.92024803      -8.72126102    
 H   -1.10789895       9.07422352      -8.25061035    
 O    3.13062382       12.8978996      -12.1978531    
 H    2.26603675       13.3012133      -12.0002642    
 H    3.64815640       13.5679970      -12.6364584    
 O   -3.28279400       9.36470032      -13.2171822    
 H   -2.80207920       8.93404198      -12.4973707    
 H   -2.62333417       9.49667931      -13.9136620    
 O   -1.00106442       12.1746054      -12.9774551    
 H  -0.549371719       11.6009693      -12.3395100    
 H   -1.93291283       12.1749849      -12.7234707    
 O   0.229806274       6.58040333      -6.52799368    
 H  -0.631264806       6.38583040      -6.91933155    
 H   0.856486559       6.00588417      -6.98532772    
 O  -0.347041726       4.97459030      -9.85057640    
 H   -1.05038881       5.42551231      -9.36612034    
 H  -0.182955831       5.48096609      -10.6561823    
 O    1.29943895       8.32689953      -14.1536446    
 H    1.87201381       8.99250793      -13.7390518    
 H    1.72041774       8.07620716      -14.9734182    
 O   -3.66071796       11.7907591      -12.0899487    
 H   -3.62480354       10.9098682      -12.5056238    
 H   -4.48800755       12.1849155      -12.3523779    
 O    1.12914622       11.4987240      -8.71199894    
 H    1.01419759       10.6492805      -8.26553535    
 H    2.06695747       11.6047850      -8.93148899    
 O  -0.582129300       13.5531750      -9.12467957    
 H    4.83590998E-02   12.8530388      -8.87784958    
 H  -0.620837390       14.1584415      -8.38794518    
 O   -1.57109487       8.54029179      -11.1583977    
 H  -0.921110630       9.25418568      -11.2529211    
 H   -1.88173509       8.60219765      -10.2479963    
 O   0.693538725       13.9427118      -11.6703234    
 H   0.268162549       13.9427290      -10.8049822    
 H    7.15583712E-02   13.4950733      -12.2614384    
 O   -1.06025803       9.96197701      -14.8072348    
 H  -0.947050989       10.7931519      -14.3271494    
 H  -0.296573848       9.41650391      -14.5920000    
 O    2.19190359       7.43359947      -9.84743690    
 H    2.22698259       6.63796711      -9.30018139    
 H    1.59256136       7.24391222      -10.5839014    
 O   0.380864292       10.4784040      -11.2477913    
 H   0.601877570       10.8603172      -10.3893824    
 H    1.20840240       10.3272781      -11.7190723    
 O    1.88945603       5.08270693      -8.34728050    
 H    2.30895662       4.23510122      -8.22954845    
 H    1.08887684       4.93063593      -8.88400745    
 O   -2.19424295       6.31504440      -8.09170532    
 H   -3.06110501       6.00544024      -7.83982325    
 H   -2.26355028       7.27949095      -8.18818283    
 O    4.24520540       9.03911686      -10.6271467    
 H    5.07248354       8.57239819      -10.5414457    
 H    3.54921794       8.44301796      -10.3005590    
          69
 Energy    -248.56507846380151     
  O     11.19413848     10.17507975    -11.37717218
  H     10.58508880     10.34283842    -10.66215868
  H     18.18145229      6.94286101    -15.68237765
  O     14.39867621      8.04183767    -15.81583601
  H     11.70500165      9.38818129    -11.12564524
  H     14.55852974     12.32475713    -13.99303697
  O     17.19153835      9.96656915    -10.32021287
  H     14.06574188      7.15622272    -15.62731851
  H     14.81776619     12.42930963    -15.50620940
  O     18.22391439      9.96390780    -17.09695853
  H     15.02006093      8.26139991    -15.10537385
  H     16.65642731      9.48233069    -14.09334737
  O     12.59293549     10.14272707    -15.41705492
  H     16.31923776      9.95606819    -10.75033268
  H     15.62747015      9.00815848    -13.03288005
  O     14.57554759      5.97503248    -10.03338686
  H     17.14881367     10.62332580     -9.62939781
  H     18.53071486      6.80413220    -13.02117795
  O     13.53159975      5.53953267    -14.92372950
  H     18.47310977      9.10261346    -16.71916231
  H     17.09501381      7.33362815    -13.24619524
  O     14.79474280      9.73829993    -11.61630346
  H     18.90673912     10.19870121    -17.72023679
  H     12.20210905      6.37538519    -13.81508151
  O     15.45071571      9.80387609    -17.73784167
  H     12.88569333     10.80408291    -16.05577497
  H     11.15332486      7.49466028    -13.54359715
  O     15.14947204      5.18413605    -12.77853395
  H     13.15235884      9.36487514    -15.55096285
  H     18.50780538     10.04731894    -11.69358078
  O     17.53501938     10.99804682    -14.55664714
  H     14.55811363      5.31627952     -9.34403462
  H     18.62895411     10.51025652    -13.16370622
  O     18.84430762      7.60175507    -15.88713524
  H     15.45660897      6.38906664    -10.00445965
  H     21.01181255      7.61597978    -13.07505623
  O     15.24779053     12.50059899    -14.64438664
  H     13.33237476      4.69160950    -15.31162832
  H     19.81002299      8.59385789    -13.03090334
  O     16.13696198      8.72072413    -13.80217559
  H     14.11229690      5.37029114    -14.15972431
  H     17.31574009      6.88423621    -11.08754178
  O     17.60087267      6.57096709    -12.92048777
  H     14.30760897     10.42633400    -12.09025228
  H     17.16257107      8.07494693    -10.12154591
  O     11.67931182      6.79719390    -13.12600158
  H     14.14768499      9.07082915    -11.34984383
  H     14.49387061     11.21249272    -17.42425340
  O     19.09882434     10.04723768    -12.45545701
  H     16.40194426      9.83885973    -17.58350571
  H     13.68484761     12.44737438    -17.89501213
  O     20.12412899      7.74563918    -13.39576326
  H     15.10529389      9.08899177    -17.18524862
  H     13.32857078      7.26293640    -10.50862399
  O     17.02016721      7.12444653    -10.19953625
  H     16.05464800      5.51477245    -12.84699991
  H     12.40636090      7.49588535    -11.73389357
  O     13.92663270     11.94548106    -17.12190412
  H     14.86111314      5.37599703    -11.87932513
  H     12.41415266     11.20876020    -12.41932526
  O     12.80552560      7.93409779    -10.96236304
  H     17.79645561     10.79978748    -15.46353297
  H     12.95003190     10.97504150    -13.84855817
  O     13.14083151     11.43159841    -13.01441120
  H     16.77746352     11.60268322    -14.58415803
  H     10.50618056      9.54329275    -13.14385939
  O     10.39300607      9.10203603    -13.99345575
  H     19.38889890      7.67086491    -15.08958417
  H     11.04085894      9.50536674    -14.58765627
          69
 Energy    -248.56488690233601     
  O     13.61107072      7.07069640    -14.33108105
  H     14.36928519      7.67351253    -14.28376027
  H     17.19204199      6.03523904    -15.12249565
  O     17.64262208     11.73832576    -11.89956436
  H     13.76556535      6.46418117    -15.06506610
  H     15.01041588     12.58939770    -17.05501682
  O     17.30705601      8.03984394    -17.73595491
  H     17.62088579     12.62466189    -11.54889347
  H     15.55927680     11.32322048    -16.35701314
  O     11.92659330      9.30255696    -14.34107034
  H     16.71879712     11.43587648    -11.95662564
  H     15.56132241      9.41144771    -13.30702421
  O     16.13627815      7.80377245     -9.77471258
  H     17.27690198      7.26502259    -17.14617063
  H     16.10089041      9.22408100    -14.74932851
  O     13.48179498      6.21438505    -11.74472946
  H     17.92308625      7.83057501    -18.43296314
  H     20.40016559      7.55276684    -13.00559522
  O     15.13157020     10.74618065    -12.12359406
  H     11.47263389      9.31079960    -13.49017727
  H     18.85892461      7.47627183    -13.09562121
  O     14.45226602      7.58806962    -18.05776692
  H     12.43949413      8.48179052    -14.35937312
  H     10.30027440      5.70477538    -11.34553557
  O     16.11354472      5.46382611    -11.06613744
  H     15.34126140      8.33490955     -9.87823314
  H     11.72596888      6.28532129    -11.35149651
  O     16.89467457     10.21739932    -16.06680964
  H     16.89192943      8.35783675    -10.02527619
  H     19.18367859      9.71181535    -13.81709197
  O     14.25059520      5.42995881    -16.49624352
  H     13.51065325      6.44286360    -12.68717172
  H     18.48789311     11.03174561    -13.43899322
  O     17.03481129      5.91737867    -16.06786019
  H     14.33233594      5.82373371    -11.51499235
  H     16.94212556      6.12919947    -12.59688589
  O     14.76247384     11.86601393    -16.48542216
  H     14.61673989     10.15097487    -11.56368943
  H     16.77231046      7.37339979    -13.51958755
  O     15.74707127      8.75088476    -13.98588178
  H     14.51933741     11.17569602    -12.74289641
  H     18.14510979     10.16191718    -10.97235103
  O     19.60564644      8.07436721    -12.92578796
  H     13.91826106      8.33243691    -17.73986295
  H     18.83537721      8.84104895    -11.33787228
  O     10.78978999      6.51511910    -11.23189521
  H     15.37034872      7.87733199    -18.07165355
  H     12.48215741      9.58511111    -16.19292989
  O     18.83381972     10.53057785    -14.18883698
  H     16.16299321      6.28449183    -10.53877989
  H     13.52601482     10.47501120    -16.89502788
  O     17.32934919      6.59789464    -13.34561643
  H     16.41233600      4.75472388    -10.50373016
  H     13.64374913      7.95867839    -11.06902989
  O     18.30080372      9.26391994    -10.65587301
  H     17.11980540      9.51696632    -16.69280369
  H     12.70648944      9.16202383    -10.94316169
  O     12.99376808      9.67769090    -17.00471960
  H     17.65314939     10.37450238    -15.48224058
  H     13.85703173     11.86336487    -14.83534000
  O     13.61066633      8.87657089    -10.76579791
  H     14.26943518      6.17774807    -17.12423812
  H     12.86840519     10.90303671    -14.13795020
  O     13.42686061     11.67875957    -13.99126881
  H     13.80976675      4.70948016    -16.93703988
  H     10.17596311      9.68080663    -11.28081369
  O     10.91025227      9.20800491    -11.66445539
  H     16.12233364      5.61556145    -16.15969098
  H     10.75619439      8.26177314    -11.49719825
          69
 Energy    -248.56484790303486     
  O     -2.88838274      5.63384759     -1.54142021
  H     -3.39334108      6.33409933     -1.94615922
  H     -1.92146201      0.55494442      2.98033591
  O      0.86577279      1.74200135      5.93000399
  H     -2.99579634      5.73089829     -0.57778433
  H     -0.99224483      5.50964333     -1.81079520
  O     -1.21611550      2.91460259      0.55397105
  H      0.70333593      2.43810833      5.27563422
  H      0.13641093      4.51539615     -2.19667557
  O      0.43175326      2.79470023     -2.60713197
  H      0.83386203      2.17154244      6.78138296
  H     -2.79555919      2.34989845     -2.11723931
  O      0.25352103     -0.85615679      0.87740766
  H     -1.89282444      2.89065372     -0.13261414
  H     -3.14764141      3.80453974     -1.63000365
  O      0.22480288      3.43382975      3.80584344
  H     -0.43898224      2.44913338      0.22145095
  H     -2.51968631     -0.73261075     -0.48031532
  O      1.57411303      6.31411564      0.05026914
  H      0.81245009      2.35063673     -1.83709358
  H     -0.99567399     -0.88851935     -0.55694037
  O     -3.09616622      5.78296302      1.16232528
  H     -0.29502346      2.23011483     -2.89426697
  H     -4.71814199      3.05275775      1.85811291
  O      0.41247419     -0.65549056      4.54821719
  H      1.07693900     -0.90682567      1.37876525
  H     -5.39123722      3.85909403      2.99587164
  O      3.41638879      4.35697557      0.84240124
  H     -0.44025521     -0.68795805      1.53158846
  H     -3.01924617      2.78768843      3.07557877
  O     -0.38595714      5.27087295      1.79902000
  H     -0.61851148      2.96978848      3.69462186
  H     -1.84748544      2.46941844      2.12533491
  O     -1.70531379     -0.38059621      2.85437733
  H      0.13261141      4.23520040      3.27426103
  H     -2.03748485      0.66565503     -3.92495930
  O     -0.03643511      5.41327501     -1.87545847
  H      1.74849318      7.23828247     -0.10498623
  H     -1.79383987      0.43637446     -2.41482671
  O     -3.21447629      2.86486419     -1.41590995
  H      1.02082217      6.00155248     -0.69070804
  H     -4.22308533     -1.56133308      1.21796834
  O     -1.77411041     -0.68870012     -1.09126542
  H     -2.19939184      5.75239379      1.52086970
  H     -3.03228600     -0.72017668      1.72582197
  O     -4.56142906      3.72634544      2.54591567
  H     -3.61272718      5.13658804      1.65841544
  H     -4.33538175      2.17276442     -0.15546001
  O     -2.18107771      2.31501041      3.02525460
  H      0.54946186      0.11301299      5.12008629
  H     -4.47817573      0.94036994      0.76807964
  O     -1.83960897      1.11825450     -3.10956027
  H      1.18481252     -0.68949772      3.97232465
  H      1.60991420      2.65964179      2.82695420
  O     -3.70030005     -0.78714266      1.02244845
  H      4.03485904      4.26924425      0.11993951
  H      2.78200042      3.03187028      1.86660656
  O     -4.79345169      1.84083842      0.62991682
  H      2.79488968      5.04903706      0.57154641
  H      0.79585190      0.68685593      0.05636382
  O      2.30124260      2.29023111      2.26250222
  H     -0.64816081      4.48649488      1.29060508
  H      1.59152731      1.89429170      0.58850930
  O      1.09866939      1.57452033     -0.17790593
  H      0.28768412      5.72202567      1.27755682
  H      3.40792232     -0.72241033      2.64547754
  O      2.49826380     -0.44733186      2.56470800
  H     -1.04209811     -0.59711941      3.52684174
  H      2.50459378      0.52300103      2.50435743
          69
 Energy    -248.56428798939885     
  O     -6.99511716      3.15052733     -1.67591168
  H     -6.16844720      3.46932783     -2.08487445
  H     -3.88094486     -0.15277344      4.48514234
  O     -2.86989058      2.33722214     -4.29194842
  H     -7.68354385      3.75330772     -1.94150102
  H     -0.38348750      2.66866397      0.69640598
  O     -5.57187921      2.61708754      0.67562420
  H     -1.95621108      2.22360051     -3.98532833
  H     -0.78499374      2.43156734      2.17649887
  O     -2.65537232     -0.87496432      1.27284129
  H     -2.82235323      2.57647162     -5.21483575
  H     -0.90723153      2.69368697     -1.66196840
  O     -0.51934447     -0.45690655     -2.02987973
  H     -4.81471603      2.15177392      0.28541556
  H     -2.05890716      2.36393869     -0.67379547
  O     -4.17773017      0.24840345     -2.93888646
  H     -6.16193550      2.84499124     -0.05243363
  H      2.94727734     -1.36625000      2.43139633
  O     -4.15682196     -2.47646460     -0.38720106
  H     -1.69562023     -0.79123724      1.18275212
  H      2.60749070      0.07250030      2.00793841
  O     -2.74625456     -2.13423413     -2.64229003
  H     -2.91487879     -0.56353474      2.14828352
  H      2.93407956      2.62202982      2.71446599
  O     -0.33702341      1.89085126     -3.27563608
  H     -0.31725218     -0.48044195     -1.08496501
  H      1.62490175      2.09717867      2.10469579
  O     -0.01879636     -0.35170714      0.73650645
  H     -1.22535629     -1.09281297     -2.19116013
  H     -5.92370416      0.25650458     -2.39694385
  O     -6.04153675      0.33381355      2.22265172
  H     -3.74981513      0.90185654     -3.50533116
  H     -6.96643503      1.26923838     -1.88701221
  O     -3.73811674      0.21655746      3.61798860
  H     -3.67224906     -0.57394524     -2.98065476
  H     -2.88305728      3.29045089      2.79207827
  O     -0.06110994      2.32577027      1.54026112
  H     -5.06658956     -2.19783982     -0.23201356
  H     -2.79433751      1.84048457      3.33089137
  O     -1.31346155      2.96475712     -0.83237989
  H     -3.62023379     -2.01658004      0.27540545
  H     -7.56404973     -1.94367639      0.07601538
  O      2.48574986     -0.86155186      1.76691262
  H     -3.26218247     -2.32568850     -1.83686133
  H     -6.81404052     -0.79410578     -0.63471570
  O      2.52290854      1.83517929      2.36741518
  H     -2.67422963     -2.95336035     -3.12412175
  H     -3.72241554      0.86510250     -1.25717634
  O     -6.78057396      0.32544151     -1.95302810
  H      0.56359681      2.02081571     -3.55913763
  H     -3.19442527      0.49058630      0.16481407
  O     -2.26760364      2.61587161      3.10387104
  H     -0.37763902      1.01105888     -2.85381217
  H     -2.37319452      4.47366633     -0.68833686
  O     -6.76187576     -1.42854030      0.10291569
  H      0.83064094     -0.68877801      1.05170414
  H     -3.41684683      5.02868215      0.29230015
  O     -3.44299406      1.22856122     -0.40712199
  H     -0.05935911      0.57707404      1.00526478
  H     -4.02272697      3.50374081     -3.19817262
  O     -3.11572818      5.09012977     -0.62087146
  H     -6.00420444      1.17285329      1.74351137
  H     -4.12952705      4.44882181     -1.97232266
  O     -4.64587690      3.99678609     -2.65722138
  H     -6.30201472     -0.32811309      1.57083487
  H     -4.72770942      3.86282091      1.59075336
  O     -4.13818015      4.49950921      2.03067094
  H     -4.60606338      0.24251092      3.17515122
  H     -4.69427676      5.07757456      2.54726164
          69
 Energy    -248.56427434002634     
  O     18.15937275     11.06009353     -9.01713949
  H     17.60785053     10.29080363     -8.79958926
  H     16.71044345      8.00096812     -8.92010540
  O     16.89942974      6.25774207     -9.77614689
  H     17.79016789     11.80261378     -8.54506060
  H     18.12192314     10.66934849    -10.85485954
  O     19.33253099      3.66771093    -12.25258003
  H     17.27761110      5.72768267     -9.06264725
  H     17.15536973     10.04976329    -11.91137549
  O     20.15147908      6.24681358    -13.00110740
  H     17.62545119      6.72056836    -10.22655896
  H     20.92338067      9.53239529     -9.05627928
  O     20.50998422      7.78581113     -8.63518984
  H     19.64620182      2.80135237    -12.49667783
  H     20.05067951     10.76586893     -9.29507569
  O     16.73740691      4.74820013    -12.16858757
  H     19.60141715      3.81735513    -11.32707775
  H     18.85442052      7.80943635    -15.89413795
  O     22.46908600      7.12178500    -11.72632918
  H     19.87250906      5.33006064    -12.88670245
  H     19.20877374      8.50069976    -14.55493979
  O     18.44306948      7.45590579     -6.82152762
  H     19.69498291      6.61970604    -13.76618200
  H     20.88056716      4.71747946     -9.56983363
  O     14.09064108      6.54152666    -10.23150300
  H     21.21456042      7.13586256     -8.74021356
  H     19.48068856      4.41379110     -8.98055294
  O     22.37785437      5.82937168     -9.37154009
  H     19.97525256      7.74146469     -9.44322803
  H     15.68668643      8.67507591    -12.65759807
  O     18.92509367      7.65666296    -10.91624187
  H     16.75967250      5.15539120    -11.29318423
  H     14.97072426      9.35801731    -11.44876414
  O     16.53892534      8.85871789     -8.51299852
  H     17.57361698      4.27860347    -12.26790915
  H     16.52191748      6.37089419    -13.13269180
  O     18.08903717     10.21352312    -11.70204575
  H     21.74768435      6.79024998    -12.27861905
  H     17.09019486      7.41356301    -14.11667024
  O     20.92709164     10.40652861     -9.47105860
  H     22.42916673      8.08432452    -11.78211587
  H     22.85413627     10.57128391    -11.97141427
  O     18.78654805      7.71392757    -14.94802101
  H     19.23157696      7.65992743     -7.34834236
  H     21.70310688     10.15716970    -11.03009269
  O     20.06698271      4.22008321     -9.72080648
  H     17.75332283      8.05311794     -7.12930777
  H     13.16454937      9.53145138     -9.61978154
  O     15.53839299      9.51996614    -12.20885719
  H     15.01726948      6.36357183    -10.02896061
  H     13.93542610      8.21536284     -9.88825938
  O     16.31441962      7.19878496    -13.58604599
  H     13.93310045      6.17453286    -11.11217317
  H     19.25035990     10.08206654    -13.05934335
  O     22.14584576      9.94031018    -11.86912991
  H     22.47963636      6.28012751    -10.23065317
  H     20.75816730      9.82922153    -13.18652942
  O     14.04028269      9.17232574     -9.73070503
  H     23.25225182      5.58909328     -9.07862870
  H     18.29091920      5.77672182     -7.26542663
  O     19.93356882      9.79428663    -13.68372946
  H     19.37459920      7.20144374    -11.63936808
  H     17.81655624      4.32280430     -7.01976269
  O     18.16913501      4.90671227     -7.68620100
  H     18.65944209      8.53228843    -11.22715651
  H     14.83046261      4.91923773    -12.65106706
  O     14.07459259      5.49309378    -12.83618500
  H     15.64835750      9.09659379     -8.80600173
  H     14.45961105      6.20924321    -13.35381338
          69
 Energy    -248.56417564543648     
  O     11.95593009     10.89976565    -16.96599448
  H     12.57044239     10.64596505    -17.66581638
  H     18.28747069     10.92726452    -13.11493712
  O     18.07530277      6.46413975    -12.68916782
  H     12.47872376     11.38024787    -16.31111894
  H     14.92561413     11.04510898    -16.11850045
  O     17.48583733     12.43835855    -15.64235046
  H     17.34650894      5.90037048    -12.97402288
  H     15.08119215     10.36950552    -17.50658646
  O     15.73734624      4.93860155    -13.59539437
  H     17.85051040      6.79617128    -11.81216350
  H     15.34029783      8.11579542    -12.50722322
  O     15.62922905      9.87054366     -9.81157770
  H     16.96252365     11.82711276    -16.17452832
  H     15.81813721      8.65879544    -13.89620032
  O     14.92750459      6.56444194    -11.48720062
  H     18.08415895     11.89624520    -15.10480646
  H     11.08112116      9.44898800    -16.55376521
  O     13.09150235     10.21449913    -12.93565528
  H     15.69846202      4.01035772    -13.81107941
  H      9.77661586      8.61621028    -16.60042185
  O     12.94953715      7.40252020    -17.70706616
  H     15.21165512      5.40397564    -14.26815426
  H     12.07987810      7.34110713    -12.24814836
  O     17.08310121      7.36145172    -10.08666895
  H     16.04330243     10.47798274    -10.44031287
  H     12.37905198      8.05118698    -10.89978368
  O     16.36367827      8.27161946    -15.56548736
  H     16.18947537      9.08653546     -9.80612736
  H     16.44083756     13.11368603    -14.44640624
  O     14.28725009      6.49305291    -15.32628993
  H     15.08464293      5.87958069    -12.14794992
  H     15.93012374     14.27465005    -13.55870805
  O     18.88621455     10.84648816    -13.86792642
  H     13.97260372      6.67877298    -11.37683308
  H     18.73389872      7.49712189    -13.92001278
  O     15.56569756     10.62668680    -16.71206919
  H     12.88835302     10.23601316    -11.99333470
  H     19.82527966      7.75942971    -14.98667596
  O     15.47223498      8.91401634    -13.03183062
  H     13.96201804      9.78773676    -13.00257548
  H     16.29189809     10.40140627    -12.41811394
  O     10.70115907      8.56993388    -16.37320120
  H     12.10829226      7.67261401    -17.31667211
  H     16.32797824     11.95193136    -12.53727202
  O     12.29361455      7.18488238    -11.31852106
  H     13.42697560      6.93898683    -17.00911544
  H     13.91762194      9.68798106    -19.70828209
  O     15.79468697     13.35171136    -13.75539317
  H     16.25559080      7.01172136    -10.46424940
  H     13.60071594      8.85863221    -18.44011074
  O     18.99177541      8.08222596    -14.65428159
  H     17.27591038      6.83569888     -9.31346168
  H     13.87767593      9.79273278    -10.00685121
  O     16.68804530     11.20430357    -12.04497625
  H     16.16898837      9.10997989    -16.00929818
  H     12.50096297     10.18038387     -9.42439707
  O     13.87915100      9.73635393    -18.75704019
  H     17.31353799      8.21913628    -15.40177626
  H     14.34724418     12.52960148    -14.60407553
  O     12.91923466      9.77099004    -10.17720995
  H     15.01023211      7.11948177    -15.49027705
  H     13.40207341     11.35777143    -14.27068846
  O     13.73220618     11.90051635    -15.00173100
  H     13.58609914      6.95949312    -14.84815813
  H     11.55030877      8.04218707    -14.81509842
  O     12.15808902      7.86873252    -14.08549602
  H     18.96085156      9.90587621    -14.06434280
  H     12.41676340      8.73358494    -13.73562446
          69
 Energy    -248.56413009192266     
  O     17.41136855      9.14576029    -13.08117954
  H     16.72656589      9.12380642    -12.39580867
  H     10.65387469     10.76207539    -11.36136780
  O     12.46602461      6.39869728     -9.97010595
  H     17.03217601      8.73721303    -13.87023832
  H     17.96339412      5.55733426    -11.79384971
  O     18.40966098     11.62366403    -12.63221973
  H     11.97536727      5.83934202     -9.37404940
  H     16.52448308      5.26068819    -11.32823698
  O     11.29137626      7.77773462    -12.20992663
  H     12.47967835      7.28984696     -9.57282889
  H     15.14769980      7.28695154    -11.19234767
  O     16.28205412      7.71163381    -15.15127542
  H     18.09864732     10.73944155    -12.89472800
  H     14.16085571      6.22884826    -10.62738169
  O     18.99382738      7.02733245    -12.19231206
  H     18.96647454     11.94160825    -13.33784719
  H     16.58910569     12.83853728     -8.39354295
  O     19.36661746      8.02158637     -9.58738720
  H     11.64745355      7.18861131    -11.53435624
  H     16.30361510     12.25117828     -9.79775272
  O     12.41395989      6.94555688    -14.66745656
  H     11.61985789      7.46424790    -13.06121058
  H     18.87813062      6.32923625    -14.04550621
  O     15.94234389     12.50956479    -11.47073098
  H     17.11109826      7.22426987    -15.26922791
  H     18.02518768      5.26205392    -14.75133421
  O     13.96462657      9.37271135    -14.92003490
  H     15.69374815      7.09324357    -14.69789051
  H     14.77632767      9.66011640    -11.81934713
  O     13.90610246     10.96628169    -12.67925658
  H     19.27572009      7.28561639    -11.30583070
  H     15.31075795      9.28686829    -10.40682461
  O     11.50848701     10.33880080    -11.36748159
  H     18.48502986      7.78095932    -12.52425313
  H     18.14213307     11.10831646     -9.49746814
  O     17.33459690      4.83767042    -11.63981009
  H     19.20612210      8.97356690     -9.71914301
  H     18.82600140     11.02056158    -10.87016729
  O     15.03044676      6.33627896    -11.03468426
  H     20.10775391      7.94796617     -8.99145967
  H     15.77310330      8.89100870     -8.46709518
  O     16.59531229     12.02753348     -8.89441108
  H     13.19719732      6.43436036    -14.40335517
  H     15.67990317     10.45996070     -8.57411862
  O     18.50449354      6.08623012    -14.90177957
  H     12.02449018      6.49017101    -15.41000851
  H     14.79275433      5.92355104    -12.84928409
  O     15.31937095      9.02337766    -11.33578802
  H     16.74692136     12.31692395    -11.96768715
  H     15.33535927      5.03387985    -13.99992320
  O     18.83820622     10.64710118     -9.98068160
  H     15.21522183     12.07845354    -11.93891798
  H     17.63580647      7.50923802     -8.99969245
  O     15.17457418      9.63910319     -8.61688228
  H     13.32931502      8.64769325    -14.89401685
  H     16.29590436      6.82377652     -9.34420361
  O     14.71588058      5.74690478    -13.79603984
  H     14.80238385      8.96697577    -15.17466859
  H     13.40698463      9.24241473     -8.79979924
  O     16.72906903      7.38040953     -8.69196195
  H     13.89287569     10.50595827    -13.53251443
  H     12.20262835      9.53623020     -9.73254038
  O     12.52606730      8.93265787     -9.05397345
  H     13.03770886     10.86181402    -12.26910530
  H     16.93313787      2.94791016    -14.19860103
  O     16.79214380      3.88514856    -14.09853425
  H     11.37415137      9.43824299    -11.71565762
  H     17.03307154      4.11261558    -13.18079471
          69
 Energy    -248.56411447860694     
  O     16.54394013     10.97154778    -15.51263682
  H     16.92048347     10.93797195    -14.62551037
  H     12.11632371      8.52748713     -9.35433076
  O     16.11123185      7.32927583    -10.80605570
  H     15.64989090     11.32067398    -15.41394516
  H     15.20120255     12.96809612    -12.22058496
  O     11.86726971      7.67038832    -12.69296726
  H     15.23837480      6.94838505    -10.64700007
  H     13.81839767     12.38942732    -11.85581498
  O     13.17651264     11.14288271    -10.63870909
  H     16.42599074      6.92573528    -11.62829853
  H     14.49071236     10.12476959    -11.46310751
  O     13.50350530      4.84649022    -14.76472567
  H     11.44072415      6.97112486    -13.20986246
  H     15.38602585      8.83317239    -11.48588185
  O     16.64928509      6.09201017    -13.23010145
  H     12.40099345      8.19851180    -13.30208955
  H     16.91316338      9.45907916    -16.30490758
  O     13.60619084      9.17494504    -14.23873485
  H     13.46891588     11.05613083     -9.72141056
  H     17.52836378      8.66326252    -17.48232812
  O     16.52600653     11.34083672     -9.13683492
  H     12.36831316     10.62080469    -10.72132195
  H     18.13558690      8.22070500    -14.99139863
  O     14.71657099      4.26989390    -12.21730741
  H     13.91571236      4.54041849    -13.94816639
  H     18.00861739      7.35714487    -13.72476901
  O     14.18361020     10.54552188     -8.10270694
  H     14.05768278      5.56667265    -15.09358168
  H     10.06621816      9.41513196    -10.71002759
  O     18.05221659      9.25612886    -10.12023128
  H     16.15863094      5.32382401    -12.91349066
  H     11.24400147      8.73587731    -11.44781408
  O     12.82631477      8.10839998     -8.85166800
  H     16.12164781      6.45886791    -13.95547573
  H     12.96809724      6.72584804    -11.51204796
  O     14.29820030     12.86880364    -12.54498442
  H     14.17408450      9.28273294    -13.45818610
  H     13.27078476      6.80242928    -10.00079769
  O     15.08631215      9.59183349    -12.00375085
  H     13.55222031     10.04916193    -14.64051547
  H     10.31572769      5.16495039    -14.77434640
  O     17.14362672      8.56494323    -16.61576563
  H     17.10931100     10.59743751     -9.35115624
  H     11.82348879      5.29429508    -14.48962511
  O     18.41883520      8.15979772    -14.07051733
  H     16.63080270     11.96832186     -9.85871942
  H     17.32335213     12.04330912    -12.05570147
  O     11.01712017      9.34657979    -10.72507964
  H     14.24447924      4.91256786    -11.66203891
  H     17.69131945     13.48864725    -11.65824036
  O     13.49401470      6.31861129    -10.81026391
  H     14.73520328      3.44987870    -11.73004632
  H     14.53832280      7.82331883    -15.01900269
  O     10.94708004      5.63292533    -14.23591037
  H     14.08504838     10.90565624     -7.22536881
  H     15.77880412      7.51812249    -15.89420992
  O     17.00135696     12.83251073    -11.58979555
  H     15.06585242     10.81758832     -8.41604113
  H     14.01106209     12.26505509    -14.14565674
  O     15.11190676      7.10846609    -15.32937715
  H     17.46466878      8.49329127    -10.21373057
  H     13.39023607     12.49833144    -15.54297042
  O     13.88418678     11.86760590    -15.02629610
  H     18.18126868      9.58957874    -11.01326435
  H     16.66618140     10.16252549    -12.56237186
  O     17.55217744     10.43856067    -12.84959536
  H     13.36869453      8.83344411     -8.51944091
  H     17.96810942      9.66987244    -13.26999678
          69
 Energy    -248.56392866000516     
  O      1.97617130     -0.27155813      4.52540172
  H      1.64979265     -0.72910213      3.73860768
  H      0.15516706      0.62663816     -0.35448652
  O      0.87771518      3.33856223      6.91817446
  H      1.58854759      0.61311465      4.50759294
  H     -2.21242139      1.08225687      3.88147098
  O     -1.39581251     -4.79171909      6.46008948
  H     -0.05289604      3.17114742      7.12808685
  H     -2.25795209      0.34007511      5.23055410
  O     -1.15785016     -1.95403385      9.60854104
  H      1.37659319      2.87449679      7.59017832
  H     -1.51274649      0.49560289      1.60430692
  O      3.29153207     -4.01988920      5.71250223
  H     -0.52468944     -4.58677667      6.82956672
  H     -2.25644528     -0.57764547      2.41359768
  O      0.74607660     -1.56220604      2.39821489
  H     -2.02756605     -4.26605059      6.96268628
  H     -2.58232990      2.81008024      7.59603055
  O      1.60208949     -3.96519386      3.59630359
  H     -0.87761443     -1.07673189      9.31652096
  H     -1.96004540      2.07126541      6.39011920
  O      3.59983279     -1.28019506      6.57706026
  H     -0.34650444     -2.41304785      9.85495316
  H      1.91518256      3.34668595      1.80308125
  O      2.46138270     -0.72848140      9.06092350
  H      2.72612447     -3.99948697      4.91884558
  H      1.01761710      2.56064697      2.77365080
  O      1.47460356     -3.04556654     10.00776553
  H      4.00338204     -4.62564405      5.52521784
  H      0.55556349     -2.28830513      6.69135552
  O     -1.84701292     -2.28358616      3.20872504
  H      0.63770591     -0.91650181      1.68998653
  H      0.88815129     -1.10494235      5.71868348
  O      0.14176251      0.52111318      0.59312363
  H     -0.14651111     -1.78071184      2.70392107
  H     -1.39789212     -5.78100900      3.47980596
  O     -2.06731493      1.20194238      4.83160531
  H      0.73662196     -4.38610231      3.66548649
  H     -1.23830118     -4.91160431      4.74998762
  O     -2.24129526      0.36982027      2.22290911
  H      1.45915454     -3.16814811      3.07047383
  H      0.03159964     -0.23590481      7.63794983
  O     -1.77151318      2.42219614      7.27667913
  H      3.19523954     -0.82618889      5.82571637
  H     -0.69562208      1.05522643      8.09627855
  O      1.24267825      2.67143752      1.83562571
  H      3.62331489     -2.20957134      6.32150548
  H     -2.39836271     -2.64638424      8.59356309
  O      0.23436709     -1.44870987      6.34002157
  H      1.67469613     -0.19621378      8.89256708
  H     -3.82548058     -3.23157125      8.49187658
  O     -1.08908889     -4.93300483      3.78700564
  H      2.90195593     -0.86879057      8.20857305
  H      1.89937210     -4.04462549      6.90894939
  O     -0.08622295      0.36964111      8.38792184
  H      1.89756816     -2.21034894      9.73335973
  H      1.27386660     -3.72453831      8.31131249
  O     -3.05999416     -3.00088519      7.97269477
  H      1.91764397     -3.33302094     10.80070087
  H     -0.32353357      1.79291801      4.54289130
  O      1.06966104     -3.91927587      7.38769290
  H     -1.67318355     -3.23035801      3.28392064
  H      0.77794174      2.63254471      5.25489983
  O      0.57584291      2.13410319      4.45127398
  H     -2.13390330     -1.99885795      4.08793413
  H     -1.44239715     -1.43192148      5.95027147
  O     -2.39818427     -1.36345711      5.78365468
  H      0.56250082      1.31285040      0.97099594
  H     -2.82069371     -1.87424563      6.48218704
          69
 Energy    -248.56376244399408     
  O     15.40548505     11.97339465    -11.65722765
  H     15.65505842     11.88430557    -12.58831924
  H     14.63882453      9.57535858    -16.83673487
  O     14.16083232      7.11228937    -14.98166405
  H     16.12604462     11.57884266    -11.15311045
  H     17.01282906      5.29274821    -15.34416143
  O     16.66170362      5.77911149    -11.34980459
  H     14.39420159      6.26563197    -14.58316886
  H     16.44084329      4.40932656    -16.46395886
  O     19.07190069      6.64460581    -12.34559170
  H     14.75257572      7.75900199    -14.56243021
  H     18.92857721      9.86771677    -13.32212700
  O     13.92172723     11.14213329    -16.00217025
  H     16.33905614      5.24142339    -10.61198103
  H     19.07662656      8.59709351    -12.43944022
  O     13.06781916      5.94083400     -9.85311995
  H     16.35439934      6.68245973    -11.17468319
  H     16.00439640      9.61854882    -13.89749704
  O     12.06389515      7.60690607    -13.27335593
  H     18.26000370      6.27158326    -11.96055311
  H     15.92798840      8.57572126    -12.74824306
  O     15.81129389      8.33773200    -10.96545177
  H     19.79837086      6.13028875    -12.00268950
  H     13.74286913     11.63151490    -11.41413331
  O     17.82124112      8.80365118    -16.80860182
  H     13.43589368     11.75768811    -16.54503015
  H     12.36202750     12.10194830    -10.89374757
  O     12.31167559      4.90522834    -12.40304010
  H     13.31620507     10.85794826    -15.29390264
  H     12.04286034      9.46046110    -13.78199664
  O     17.78106802      6.84694935    -14.81261443
  H     13.02513929      6.89251791    -10.00361524
  H     12.43120571     10.78091963    -13.09143295
  O     15.05438279      8.75246940    -17.12165996
  H     12.72429769      5.53390045    -10.65877855
  H     15.49787315      5.15584260    -12.68517959
  O     16.53672000      4.46405304    -15.51610833
  H     12.74097634      7.49810383    -13.95909852
  H     15.43026058      4.52879862    -14.10278275
  O     19.01931836      9.55936291    -12.41287001
  H     11.89039746      6.71144507    -12.96070164
  H     15.26336714      4.05319524     -8.48081440
  O     15.97284872      8.67417269    -13.70755143
  H     14.86441781      8.48980587    -10.83861621
  H     14.54036172      5.05146577     -9.40149155
  O     12.80631732     11.37665359    -11.32375559
  H     16.30672423      9.09019355    -10.62129890
  H     18.40665977     10.02771274    -15.75057593
  O     12.30788942     10.37129740    -13.95652325
  H     17.95618061      8.01273366    -16.27055638
  H     19.40597058     11.17369480    -15.46544305
  O     14.88685327      4.85344169    -13.37007612
  H     16.87757372      8.81281581    -17.02752456
  H     12.91269121      9.57793187    -10.87379616
  O     15.37184430      4.56143201     -9.27938337
  H     11.86304977      4.08536863    -12.59361876
  H     12.73246180      8.28015333    -11.69334736
  O     18.68253121     10.68329717    -15.08430018
  H     13.21561941      4.81569814    -12.75165836
  H     18.07605816     10.21929355    -11.11085359
  O     13.07461964      8.62643580    -10.85647400
  H     18.38225206      6.68772709    -14.07555651
  H     18.04310765     10.74101840     -9.65388634
  O     17.48574927     10.50903373    -10.39151739
  H     17.13855332      7.49521557    -14.48583962
  H     15.45103396     11.41754936    -14.98565300
  O     16.10910000     11.42109230    -14.27797409
  H     14.66649408      8.06612529    -16.56410057
  H     16.99087784     11.31080972    -14.65682829
          69
 Energy    -248.56370412887770     
  O     11.86666827     10.71094859    -12.52663213
  H     12.34670621     10.42803666    -13.32710607
  H     13.19173331      4.46227215    -12.21482212
  O     10.36639030      4.52448096    -12.22942458
  H     11.60457976     11.61664686    -12.66719149
  H     16.11211373      5.63811060    -14.03564184
  O     17.28481761      5.66002047    -11.12985213
  H     11.18148802      4.05814239    -11.99464784
  H     16.64646611      6.24143516    -12.70953364
  O     14.85750976      3.18502330    -10.02991183
  H     10.38948451      4.60252941    -13.18857902
  H     14.48179642      6.23561718    -12.97917152
  O     16.08547230     10.18100627     -9.44965954
  H     16.54870095      5.72098457    -10.50443396
  H     12.99564039      6.53562462    -13.35072452
  O     10.14096902      6.61305635    -10.50458797
  H     17.92617313      6.33554202    -10.86786748
  H     10.16005361      7.88351416    -11.93380431
  O     15.68974727      9.15001288    -13.12180723
  H     15.01194742      4.03534846     -9.59829816
  H     10.68054553      9.20741149    -12.55664693
  O     11.01883073      4.56254776    -15.10043418
  H     15.61552877      3.02996888    -10.60730654
  H     18.52093390      8.57374634    -10.71896152
  O     16.78467654      7.98311498     -8.03853065
  H     15.24813401     10.03895107     -9.91367924
  H     18.18839381      7.86623358     -9.38881647
  O     15.82672210      3.89706987    -14.43666597
  H     16.74621767     10.30716787    -10.14138001
  H     13.15158907      6.71360293    -11.08872585
  O     13.11311086      2.76724228    -14.54060276
  H     10.16479193      5.84966178    -11.10957338
  H     11.95615605      6.90089258    -10.12761683
  O     12.96142480      3.55468903    -11.96011059
  H      9.40212309      6.47424873     -9.91810024
  H     17.23228827      3.97437362    -11.66072518
  O     16.17809466      6.46053018    -13.52837918
  H     15.06072098      9.17097392    -12.38527917
  H     17.82261067      2.56160381    -11.86246785
  O     13.56894134      6.13651866    -12.68267860
  H     15.87719725      8.22492164    -13.33851978
  H     15.75977615      6.57059701     -8.70802315
  O     10.24215299      8.37205812    -12.76123649
  H     10.48027591      4.23668971    -15.81831580
  H     14.42172231      6.29280849     -9.44855916
  O     18.70913680      7.78308560    -10.19773337
  H     11.75877374      3.94295885    -15.00607546
  H     18.36643826     10.73007311    -12.18352156
  O     12.90999275      7.02126486    -10.19936186
  H     16.97040437      8.20810688     -7.13069659
  H     17.14186565      9.79493586    -12.28334290
  O     17.01728960      3.06760206    -11.94158334
  H     16.49135292      8.80253956     -8.47661048
  H     13.49497875      8.67943534    -10.62978572
  O     15.27800092      5.90668729     -9.21860857
  H     14.94547578      3.53342662    -14.56945412
  H     13.15484994      9.98258795    -11.41104872
  O     17.85905445     10.08615378    -11.69597297
  H     16.17923610      3.48089372    -13.63880311
  H     12.89045008      8.82008146    -14.76591004
  O     13.87159997      9.49519268    -10.98656863
  H     13.06800130      2.92742973    -13.58042474
  H     14.18435057      9.53047223    -14.28443365
  O     13.28479054      9.68657454    -14.59704900
  H     13.13266730      1.82067837    -14.66074463
  H     11.22342603      7.59564047    -14.00439172
  O     11.89804427      7.21129771    -14.58941913
  H     13.53718915      3.32023888    -11.22010892
  H     11.55776276      6.36913448    -14.91091889
          69
 Energy    -248.56367296050928     
  O     15.76400768      6.32072409    -13.01983011
  H     15.18433252      6.42142478    -12.25202562
  H     16.77906273     11.31154887    -16.94608401
  O     17.81892592     10.55313084    -11.90786046
  H     16.60922107      6.74045647    -12.81204388
  H     14.23928689      8.69212565    -14.69286180
  O     18.34766533     10.84602337    -16.33509713
  H     16.88499710     10.71707296    -12.11318537
  H     15.20958446      7.88645551    -13.78113529
  O     12.13416254      5.81059092    -15.19407345
  H     17.89155753     10.51159516    -10.94645667
  H     10.65905397      9.82359984    -13.14259552
  O     15.17583662      9.49229831     -8.75948004
  H     18.19236250      9.93446541    -16.04951065
  H     11.82252674      9.14932839    -13.89927486
  O     14.01661042      6.88088495    -10.95404749
  H     18.58923785     11.33683116    -15.54021205
  H     18.15820047      7.40597353    -10.87234035
  O     15.22436327     10.97504092    -12.67181712
  H     11.43887545      5.23101395    -15.49367974
  H     18.07788455      8.31011597     -9.62573002
  O     16.14425469      6.93935378    -17.46129705
  H     11.99544784      5.94640217    -14.23935633
  H     11.50814256      7.39752891    -12.64281285
  O     15.66818051      6.66217875     -8.72407785
  H     14.49590996      9.62870878     -9.43123777
  H     12.50633344      6.44336305    -11.96521020
  O     17.51391219      8.33878990    -15.45371661
  H     15.22669021      8.53903816     -8.61469405
  H     18.47878502     11.66292286    -13.16278991
  O     14.92991426      5.46416721    -15.55252701
  H     14.49726402      6.69150944    -10.13884035
  H     19.37833470     12.84582294    -13.58131046
  O     15.86506664     11.56671530    -17.16507424
  H     13.87357889      7.83807865    -10.98168069
  H     18.03806609      8.79249359    -12.45727237
  O     15.06142262      8.74813882    -14.19242354
  H     15.15555874     10.18387009    -13.23123809
  H     18.13371882      7.89898325    -13.70349486
  O     11.43807767      9.28685976    -13.01702862
  H     15.33054203     11.72761480    -13.27015081
  H     18.11669070     10.60646828     -8.38390529
  O     17.99528449      7.39446926     -9.92140256
  H     16.37870645      6.38571470    -18.20093630
  H     16.82768530     10.00044486     -8.98909808
  O     11.77402796      6.47082122    -12.59495754
  H     15.70304116      6.36472761    -16.80879621
  H     14.82529868      9.99211508    -17.34008634
  O     18.68470044     12.26958812    -13.89265385
  H     15.82429601      6.01793200     -8.03927197
  H     14.94999297      8.45829041    -17.51957437
  O     18.10892083      7.86891782    -12.73791139
  H     16.52579484      6.83284428     -9.15369934
  H     12.69789181      9.57376060    -11.60709447
  O     17.77631152     10.15401530     -9.15074157
  H     16.67943777      8.62188284    -15.04974501
  H     14.09876258     10.20198541    -11.52891326
  O     14.31380470      9.17777850    -17.42633216
  H     17.24928657      7.79732962    -16.20747231
  H     15.77926046     12.45447230    -15.44268198
  O     13.47880972      9.63546236    -11.04426804
  H     13.96930490      5.49177890    -15.46890296
  H     16.85986764     12.79515732    -14.39966419
  O     15.90920332     12.83010848    -14.56306568
  H     15.28021114      5.61654956    -14.66417592
  H     12.37634195      7.64712020    -15.50520181
  O     12.55036710      8.59600400    -15.45390880
  H     15.91739940     12.13429869    -17.93074306
  H     13.04774584      8.84973840    -16.24781510
          69
 Ord_Energy   -248.563522    
 O    1.75099933      0.802248120      0.349536121    
 H    1.47814512      0.386875600       1.18772411    
 H    2.70395875      0.801190317      0.334835976    
 O   -5.13766527      -2.66729975      -3.35247850    
 H   -5.56076574      -2.28326082      -2.56355071    
 H   -5.80673790      -3.17873454      -3.79919171    
 O   -3.74136066      -2.09861803      0.205152437    
 H   -3.58967924      -1.68807197       1.06773138    
 H   -2.96053481      -2.63058257       7.43936980E-03
 O   -1.24462903      -3.27788162     -0.343032390    
 H  -0.708440006      -2.50642872     -0.583244860    
 H   -1.62741661      -3.59680223      -1.17429650    
 O  -0.405568093       2.47424507     -0.393654794    
 H  -0.491923779       2.41626668      -1.35418522    
 H   0.440262258       2.06776071     -0.166418478    
 O   -3.21847010       2.20113087      -3.88301182    
 H   -3.38609958       1.27434623      -4.10376883    
 H   -3.70162725       2.36969733      -3.06337500    
 O   -1.23189175      -2.13361359      -4.88222218    
 H  -0.874385178      -2.43429971      -5.71307611    
 H  -0.608544290      -1.47269619      -4.53035259    
 O   0.640525997     -0.335967720       2.52754641    
 H   0.238834038      -1.21174121       2.50015926    
 H   -9.47011188E-02  0.294223458       2.50204802    
 O   -4.16564226       2.25033307      -1.21942711    
 H   -3.71428847       2.97526503     -0.764129341    
 H   -3.56921721       1.48672593      -1.21163070    
 O   -1.68212000E-02 -0.914507627      -1.05087090    
 H   0.589758992     -0.341951758     -0.568387568    
 H  -0.876695991     -0.469163239      -1.11179066    
 O   -3.42211103     -0.586168945      -4.06493139    
 H   -2.68626761      -1.07013631      -4.46191788    
 H   -4.11464834      -1.23866141      -3.89668798    
 O   -6.10179710      -1.57992542      -1.08690012    
 H   -6.29795885     -0.684249401     -0.791400194    
 H   -5.34725952      -1.86923742     -0.551106572    
 O   -6.34972048       1.09252560      -8.19382593E-02
 H   -7.12855530       1.63173068     -0.198084950    
 H   -5.62055922       1.55621684     -0.529526830    
 O  -0.871176481      -2.80711484       2.36532736    
 H  -0.690424204      -3.60794950       2.85215068    
 H  -0.972738743      -3.06814647       1.43525076    
 O   -2.99441314     -0.893791795       2.55028367    
 H   -2.33553362      -1.58509457       2.68860841    
 H   -2.49598193     -0.102702342       2.29236245    
 O   -5.04974842       1.11811543       2.47433090    
 H   -5.53517818       1.02304423       1.64563727    
 H   -4.53397608      0.312045604       2.59583998    
 O   0.312943161     -0.248937204      -3.73363400    
 H    5.33212386E-02  0.677431703      -3.66460204    
 H   0.341034502     -0.574092805      -2.82298350    
 O   -2.45655036      -3.68813467      -2.77471089    
 H   -3.38159895      -3.45021605      -2.90652704    
 H   -1.97533345      -3.25683475      -3.49168658    
 O   -2.64575410      -6.98836222E-02  -1.39113879    
 H   -3.09014606     -0.741612792     -0.857178688    
 H   -2.86049891     -0.254478931      -2.31604266    
 O   -2.68889832       4.11223793      0.164157778    
 H   -2.91909385       3.95293975       1.08842576    
 H   -1.81281304       3.72894120       2.73922700E-02
 O   -1.50457716       1.36157346       1.95337820    
 H   -1.22980773       1.68505216       1.08577192    
 H   -2.05131841       2.05317450       2.34726954    
 O   -3.38861251       3.24006939       2.80242825    
 H   -3.58633256       3.69901705       3.61407638    
 H   -4.05815458       2.53910160       2.70389771    
 O  -0.591238081       2.42164588      -3.22966695    
 H  -0.230814964       3.18634701      -3.67263842    
 H   -1.52799940       2.37077355      -3.48890996    
          69
 Energy    -248.56345166277816     
  O     13.19915394      7.82322829    -15.21745919
  H     14.14498685      7.90548727    -15.04773903
  H     11.35558492      5.89804167     -9.48980903
  O     16.23200000      5.03521397    -10.51367331
  H     12.74264038      8.43733021    -14.63037046
  H     13.51280461      4.85343623    -13.39435163
  O     13.30525548      2.03171739    -12.55118645
  H     17.19555848      5.05695998    -10.44315617
  H     13.30477419      4.52802714    -14.88481953
  O     12.96511221      8.56257704     -8.58826507
  H     15.90419588      5.84930438    -10.10536523
  H     12.81366587      5.37366591    -11.29403140
  O     18.35233599      8.66399692    -13.17870311
  H     13.82642171      2.21016059    -11.75949979
  H     12.14141984      6.39588685    -12.22261192
  O     12.88232791      9.96914198    -11.14296848
  H     13.56458901      2.70251359    -13.19985655
  H     11.99325141      9.75269172    -12.63385371
  O     16.31603455      5.16077391    -13.39341749
  H     12.27895358      7.93195022     -8.87206832
  H     11.15711507     10.28365948    -13.82069975
  O     10.76246583      2.87608402    -12.11913288
  H     12.67831001      8.91227438     -7.74869515
  H     19.81856471      5.00761346    -10.21200260
  O     18.06084372      8.12175269    -10.50726313
  H     18.21102646      8.54934331    -12.22231717
  H     19.12130032      5.50906557    -11.50066852
  O     14.59043984      2.87564947    -10.10940239
  H     18.90529771      9.43436160    -13.28064515
  H     14.06191729      7.31781794    -12.09148693
  O     12.10242861      4.22962264    -10.01412220
  H     12.79200167      9.66463995    -10.23412325
  H     15.15876680      8.07732034    -12.88821068
  O     11.08346110      6.82416766     -9.47093817
  H     13.60212889      9.42954850    -11.50506130
  H     14.68773050      7.84520615     -9.04751816
  O     13.81927212      4.27329463    -14.11031275
  H     16.21301701      5.15573500    -12.43307166
  H     15.24361927      7.77615592    -10.47411299
  O     12.97286044      5.92510293    -12.06927154
  H     15.53083955      4.73138939    -13.75930559
  H     18.15245679      5.49433215    -13.43455273
  O     11.58619591      9.50184962    -13.48232510
  H     11.62895885      2.48267155    -12.32519181
  H     18.93608701      6.81387868    -13.32682302
  O     19.01528895      5.40366420    -10.53767066
  H     10.13672226      2.15747065    -12.07116766
  H     10.21598954      6.53111583    -12.84201044
  O     14.65337435      8.08600330    -12.06892230
  H     17.21872431      8.06499640    -10.03880372
  H     10.72753952      8.01041441    -12.71893513
  O     15.44518668      7.53280661     -9.55470234
  H     18.48129961      7.26157923    -10.38699232
  H     16.81769755      8.18194813    -14.17525262
  O     19.01989036      5.85971488    -13.20842527
  H     15.00770030      2.29408149     -9.47837780
  H     16.09894637      6.81797799    -14.18751986
  O     10.51528998      7.21281620    -12.21994118
  H     15.20153336      3.61821459    -10.24892923
  H     11.93104792      5.46727508    -16.88812442
  O     15.99891137      7.74649088    -14.44652940
  H     12.90406315      3.70359023     -9.90300888
  H     12.47092609      6.33149239    -15.72389228
  O     12.09697200      5.45990022    -15.94951182
  H     11.54220543      3.76114215    -10.64879412
  H     10.74503272      5.13122107    -14.61542008
  O     10.11955891      5.08933867    -13.88187382
  H     10.75716200      7.02288508    -10.35938861
  H     10.34846370      4.31265842    -13.35678275
          69
 Energy    -248.56312566128645     
  O     12.25718927     11.31382773    -14.10377236
  H     12.93888722     11.95514215    -13.87769497
  H     19.07601624      9.66768361    -15.57425655
  O     15.97013357      6.87370425    -14.09866716
  H     12.52822101     10.91301806    -14.94255122
  H     14.47877411      9.60256621    -14.89133481
  O     17.54542872      9.92506818    -11.09429390
  H     16.80117634      7.08273129    -13.65153758
  H     15.47861131      8.60261642    -14.24122920
  O     16.64481981     11.80915442    -14.66219431
  H     15.32188240      6.64720975    -13.41708953
  H     11.56400212     10.12838677    -13.02639371
  O     12.36194504      7.23267300    -16.45477942
  H     17.55422183      9.51732505    -10.21963743
  H     10.28332606      9.68112928    -12.28622191
  O     14.87568884      7.54662504     -8.73302043
  H     16.64632216     10.24452660    -11.25442249
  H     17.88202479      6.96629895     -9.83138355
  O     14.08571639      6.45594380    -12.09916637
  H     17.40749895     11.79382372    -14.06194086
  H     18.12308377      6.64942937    -11.32061627
  O     14.98176545     10.71606516    -11.79168004
  H     16.17378191     10.96753032    -14.55147968
  H     12.62415273      6.67059448    -13.24648274
  O     18.08226512     10.70663287    -16.73937840
  H     11.67274747      6.78544335    -16.93809272
  H     11.59870856      7.81784842    -13.36680571
  O     15.46104484      5.08262619    -10.09237351
  H     12.17538716      7.09839427    -15.50835625
  H     19.28373511     10.73908715    -13.58743201
  O     15.20561559      6.91314787    -16.81304726
  H     14.95599326      6.64914116     -9.07940278
  H     18.50881011     10.98492249    -12.27704591
  O     19.59227646      9.25407029    -14.86528046
  H     14.23549951      7.99860745     -9.29843322
  H     17.97169544      8.55829555    -12.23406486
  O     15.17666403      9.51864594    -14.22903724
  H     13.86349240      7.27157064    -11.62845368
  H     18.75211429      8.21336155    -13.52559360
  O     11.18955882      9.43553176    -12.45365637
  H     14.48405231      5.86317217    -11.45001956
  H     16.49093011      8.19177030     -8.65575348
  O     17.88446701      6.24737102    -10.47585501
  H     14.77545945     11.61855396    -12.05566963
  H     17.71884940      8.62092860     -7.81630347
  O     11.91772733      7.01964472    -13.80494059
  H     14.98843085     10.20597749    -12.61962771
  H     15.54064088      8.56631879    -17.48142001
  O     18.84139961     11.42398189    -13.07276335
  H     18.36387894     11.32322708    -17.41193160
  H     16.45426674      9.81122242    -17.45637960
  O     18.23923011      7.82471968    -12.80747674
  H     17.55251067     11.21410533    -16.10186782
  H     12.49325929      8.97621827    -11.19089353
  O     17.42287747      8.47068535     -8.70988569
  H     16.35936190      5.41971963    -10.26154101
  H     13.91740973      9.51644872    -10.97892266
  O     15.57832089      9.50949582    -17.70963609
  H     15.55325498      4.17553772     -9.81478247
  H     15.26202045     12.73760534    -13.89989603
  O     13.32316250      8.79272826    -10.73318143
  H     14.24324367      6.89509929    -16.74159564
  H     14.53178276     13.98391081    -13.35539682
  O     14.49887462     13.03073356    -13.37553112
  H     15.53718829      6.76889192    -15.91689413
  H     14.04689989      9.89978711    -16.86330087
  O     13.28781528      9.88135083    -16.25949879
  H     20.42230117      8.98830133    -15.25535310
  H     12.86487664      9.02121558    -16.38167247
          69
 Energy    -248.56309891292091     
  O     12.37016131     10.44389214    -15.25376866
  H     12.84645278     11.24152774    -14.99588346
  H     20.57064969      7.94416998    -14.80354799
  O     16.05942479      6.08684446    -13.41457659
  H     12.95154647      9.97239674    -15.86283104
  H     16.75630455     11.10447788    -15.56128102
  O     17.27570494     10.07365397    -11.60712760
  H     15.31129560      6.07927946    -12.80198986
  H     15.52625238     10.68331165    -16.41141759
  O     13.31048163      6.44470062    -16.77557466
  H     16.82814445      6.43515808    -12.94289394
  H     15.73603701      7.73414014    -14.08936798
  O     14.36907325      8.48734935     -8.91688430
  H     17.26224972      9.96406016    -10.64797230
  H     16.48280255      9.06505996    -14.42313773
  O     13.84161005      6.28076785    -11.77101858
  H     16.36827846     10.29947609    -11.85916488
  H     10.13148915      9.06333198    -13.50681201
  O     14.72199344     10.53959963    -12.58215055
  H     12.75883069      5.86411821    -17.29302735
  H     11.50431049      9.47920580    -14.08634556
  O     16.81021846      9.32880235    -18.17496117
  H     12.96783237      6.41912177    -15.86387691
  H     17.86231075      6.83588643    -10.50620127
  O     15.00310879      5.70914255     -9.28446991
  H     13.75463111      8.69377518     -9.63296513
  H     17.42826992      7.64220486     -9.27138739
  O     18.11745407      7.36524063    -16.62648523
  H     14.46908276      7.52721957     -8.92171498
  H     11.86666185      7.26606528    -13.98064428
  O     16.03310799      5.60465061    -16.16969368
  H     14.16266356      5.94780869    -10.92355907
  H     12.85463123      6.22942101    -13.41900492
  O     19.65266982      8.07216120    -14.58321620
  H     13.54910662      7.18900473    -11.61055817
  H     17.84746794     10.38668900    -13.39878072
  O     16.03388928     11.44599121    -16.10935570
  H     14.91806167      9.84062715    -13.22777433
  H     18.62951077      9.62419896    -14.50055693
  O     15.61129630      8.65416542    -14.35295969
  H     14.49703484     11.32759019    -13.08947828
  H     18.79093647      7.57267465    -12.99347258
  O     11.06817907      8.89818129    -13.43790903
  H     16.93701271     10.24891016    -17.93386107
  H     17.85327620      8.34749181    -12.03424375
  O     17.49369298      6.74364747     -9.61815101
  H     15.91550858      9.11047628    -17.88038850
  H     15.97012098      9.18622443     -8.87482308
  O     12.39275564      6.49418457    -14.22323291
  H     15.02167108      4.96097862     -8.69406425
  H     17.07457170      9.91188945     -8.06958586
  O     17.92224829     10.26704121    -14.35534392
  H     15.92654480      5.99359901     -9.40817531
  H     13.54505649      9.54483702    -11.66991748
  O     18.18573525      7.46435875    -12.24911331
  H     17.43011119      6.69059729    -16.52976509
  H     12.16542664      8.90290279    -11.90778179
  O     16.90512625      9.46029282     -8.89201436
  H     17.77301084      8.02223970    -17.24317561
  H     14.08191473     13.50870903    -14.52085688
  O     12.92046824      8.89945305    -11.30699600
  H     16.03579890      5.59442246    -15.20209399
  H     14.85240038     12.28807255    -15.07794075
  O     14.14680388     12.55907510    -14.46556253
  H     15.13055088      5.81542380    -16.43054699
  H     13.93638313      8.17815026    -16.94621093
  O     14.36936067      9.01349048    -16.72472261
  H     19.13109626      7.75297355    -15.34531546
  H     14.81242321      8.84364746    -15.87591355
          69
 Energy    -248.56288818535171     
  O     10.77508835     10.41268031    -12.64107023
  H     10.42192894      9.86267439    -13.35159392
  H     18.12619841      7.77737683    -16.63189671
  O     13.89052224      7.10131159    -14.94577478
  H     11.53370147     10.87714630    -13.01542285
  H     16.18524983     11.77456366    -14.97455006
  O     16.81035827     10.28938409    -10.26058609
  H     14.38214346      6.85926204    -15.74399664
  H     15.68980408     13.03220369    -15.72510219
  O     17.75325940      9.47625096    -16.76447391
  H     13.30160510      7.82842887    -15.18885895
  H     15.16313550      8.15612633    -14.18847466
  O     12.47215406      9.34522402    -15.68797911
  H     16.78301633      9.33786235    -10.10026228
  H     15.41446352      9.07083709    -12.95209800
  O     16.35084480      7.38484916    -10.22199957
  H     17.60656217     10.45312343    -10.77990077
  H     10.86597442      9.38915845    -11.21979659
  O     13.52668058      5.91686200    -12.51253423
  H     17.86479522      9.97696404    -15.94596176
  H     10.26414861      8.96623999     -9.85876549
  O     14.53653731     10.11183051    -11.74741534
  H     16.82582919      9.59201505    -17.00702932
  H     18.08078854      7.66277015    -11.03412055
  O     16.19360103      5.06709730    -11.92813132
  H     12.70614421     10.02391461    -15.03734846
  H     18.61507733      7.28793227    -12.42247663
  O     17.46719474     10.74325977    -14.27170526
  H     11.57461988      9.05830449    -15.47692901
  H     11.65214141      6.30231118    -12.58742273
  O     15.38477823      6.94797484    -17.21648725
  H     15.41418969      7.60345270    -10.12329196
  H     10.75425445      7.30386719    -11.83317676
  O     18.18728595      6.80992473    -16.53281119
  H     16.34641683      6.53959744    -10.68939748
  H     19.96038274     10.76680064    -11.71315874
  O     15.41989873     12.16652376    -15.42794252
  H     14.35686490      5.47621835    -12.29914674
  H     19.10121857      9.49232375    -11.89205545
  O     15.84768813      8.61707362    -13.68655343
  H     13.63683833      6.28429959    -13.40410072
  H     17.00185126      7.27889286    -13.71479679
  O     10.90039527      8.71112570    -10.52131128
  H     15.30267505     10.36196348    -11.21084847
  H     17.86856550      6.48693484    -14.72443043
  O     18.83304945      7.78932932    -11.62610665
  H     14.10242188      9.37813835    -11.29150694
  H     14.01670599      9.61614094    -16.77872884
  O     10.80151352      6.75643472    -12.62700059
  H     16.57026291      4.20557280    -11.76547879
  H     15.08417102     10.69284800    -16.62862478
  O     19.10579996     10.46019790    -12.00480231
  H     16.70975942      5.46729352    -12.64811969
  H     13.52303607      7.17510205    -11.19861083
  O     17.59225750      6.51250794    -13.80123940
  H     18.08840247     10.77460096    -13.53522685
  H     12.64887824      8.12782187    -10.34178276
  O     14.91225113      9.84651977    -17.06117877
  H     16.90078555      9.96944018    -14.11749249
  H     13.88868396     11.73575731    -14.35628318
  O     13.55958024      7.85252368    -10.50690495
  H     15.28404846      7.89867345    -17.35016807
  H     13.67904930     10.92170124    -13.05792927
  O     13.21796424     11.28546753    -13.83065856
  H     16.32397980      6.79538866    -17.05819365
  H      9.20562642      8.18933472    -14.97101650
  O     10.05011253      8.45396550    -14.61651151
  H     18.85837645      6.51312731    -17.14184468
  H     10.30545252      7.77735257    -13.96398461
          69
 Energy    -248.56283764509402     
  O     -3.09151445      4.79952077      4.09463863
  H     -3.62268073      5.58999073      4.13909452
  H     -1.21608624     -0.16329603      2.65949675
  O     -2.81785732      2.72890909      2.19679020
  H     -2.18525867      5.07968690      3.86863273
  H     -2.85291157     -1.94413060      1.27608149
  O     -1.89027117      3.39307597      6.29919951
  H     -3.08435981      3.41425801      2.82139846
  H     -3.21841180     -1.33061871      2.63642713
  O      1.95583808     -2.39902405      0.51314530
  H     -1.91645273      2.95201673      1.92308220
  H     -0.41344914      0.98718660      5.28960999
  O      0.40034994      0.67147255     -1.50606309
  H     -2.41228498      3.85285721      5.63033890
  H     -1.61478394      1.65340465      5.99857332
  O     -1.72510169     -0.89604223     -0.18550973
  H     -0.98161039      3.69579819      6.17661013
  H      1.37597727     -2.19706342      3.92271691
  O     -2.80682335      0.26407259      3.43222935
  H      1.69660990     -2.57036722      1.42689534
  H      0.14253882     -3.01668638      3.43433515
  O     -0.77946785      3.09727336     -1.38695992
  H      1.23964318     -2.74029803     -0.04060793
  H     -0.56346868     -3.48205722     -1.81564545
  O      2.81771790      0.06934483     -0.10967957
  H     -0.24036725      0.03288390     -1.17561951
  H     -0.90451729     -2.40665057     -0.77336212
  O     -0.66202960     -1.85701054      6.17635785
  H      1.24293315      0.46190615     -1.08510865
  H      1.11257512      3.04349995      5.34250160
  O     -1.56589774     -3.50198639      3.97368088
  H     -2.28384302     -0.11815915     -0.33171626
  H      1.56423945      4.26391361      6.17183682
  O     -0.40837005     -0.32475059      2.15445498
  H     -1.20721361     -0.71443963      0.61447057
  H      0.81320404      0.86941383      2.00560007
  O     -3.12318390     -2.17516619      2.16906217
  H     -2.91521944      1.12331693      3.00050904
  H      2.15621870      1.12906245      1.29912167
  O     -1.28799863      0.80799676      5.65763289
  H     -2.39730137      0.43262499      4.29193076
  H      2.52663222     -1.67274414      6.14010169
  O      0.93792671     -2.55221435      3.13941687
  H     -0.30163922      2.25466665     -1.49486083
  H      1.00869195     -1.54529641      5.85350539
  O     -0.29180401     -3.13193443     -0.97058083
  H     -0.69710780      3.57048119     -2.21022064
  H      1.68306428      0.48802981      5.02154534
  O      0.86463606      3.94395409      5.60708067
  H      3.67784696      0.01364657     -0.51649240
  H      1.53773536      1.43460006      3.79390820
  O      1.56550686      1.48569825      1.97237721
  H      2.55683372     -0.84195966      0.12045249
  H     -0.33101485      4.77427066      2.67406756
  O      1.89651108     -1.32311283      5.51559205
  H     -1.10303668     -2.39712683      5.51027336
  H      0.05484113      4.90466119      4.16627265
  O      1.37524857      1.36000938      4.74522562
  H     -1.03755424     -0.96668250      6.11535020
  H     -3.14465583      1.93803755      0.48140584
  O     -0.49838247      5.28970838      3.47569861
  H     -1.90721675     -4.38229299      4.10987703
  H     -2.37071239      2.12239683     -0.82869661
  O     -2.99170035      1.53404464     -0.38228127
  H     -2.14702323     -3.07924749      3.31791749
  H     -0.39611965      3.48029940      0.38248892
  O     -0.24973502      3.50201272      1.33680021
  H      0.02991787     -1.11192272      2.50329461
  H      0.45376248      2.86850378      1.53186965
          69
 Energy    -248.56279488750096     
  O     16.58287313      3.25434210    -14.07181247
  H     16.50077729      2.96286768    -13.15594475
  H     19.07435507      6.01878099    -14.17572520
  O     18.44472317      9.48971663    -12.61344215
  H     15.87540151      3.90063336    -14.19676247
  H     13.94095652      8.74330336    -16.64810054
  O     13.41144390     11.51106677    -11.58100783
  H     18.75381528      8.75876757    -13.16251827
  H     15.06017084      7.71549917    -16.35762608
  O     16.32273378      7.37765659    -15.02361475
  H     18.67616893      9.27177622    -11.70007454
  H     11.92806624      5.69820295    -16.21559942
  O     19.14200955      4.13101640    -14.44834262
  H     13.77111333     11.50654625    -12.47834555
  H     13.09387056      6.71544896    -16.14089992
  O     12.09235096      8.94937208    -11.43207698
  H     12.92146666     10.68721140    -11.48141998
  H     15.32344823      8.59122549    -12.02078576
  O     18.73635086      8.65897208     -9.93131998
  H     16.00357114      7.94569329    -14.30494859
  H     16.63659402      9.14514562    -12.66846395
  O     14.52404880      7.93702957    -10.50419776
  H     17.24129797      7.18065457    -14.80298523
  H     16.46616170      2.05443821    -10.68349261
  O     17.19361649     12.11418072    -12.78918636
  H     18.22332823      3.81215889    -14.39167362
  H     17.45647930      3.08685611    -11.27217539
  O     16.35242560      9.62322027     -9.24215137
  H     19.56617401      3.61806600    -15.13112342
  H     15.60133425     12.97267600     -9.80930044
  O     14.71330087      5.34600350    -14.07820111
  H     11.20246743      8.88681848    -11.09488221
  H     14.85173344     11.95293023    -10.69591276
  O     18.80275102      6.88127827    -13.83835418
  H     12.04164559      8.77789149    -12.38981246
  H     17.03949755      6.13063049    -11.21681191
  O     14.22792172      7.84062904    -16.83477285
  H     19.38510328      8.79476680     -9.24698090
  H     18.19042951      7.06191383    -10.67950002
  O     12.49634205      6.16038338    -15.60564768
  H     17.89417847      9.03019336     -9.60830535
  H     15.05399161     10.35296192    -13.61684667
  O     15.71652032      8.90187649    -12.84401689
  H     14.65286618      6.99722473    -10.69167122
  H     15.65339304     11.74715965    -13.76791807
  O     16.51507597      2.84287092    -11.21705728
  H     13.62370114      8.18509576    -10.75327761
  H     13.82306037     10.75810028    -15.31006351
  O     15.71413100     12.15825946    -10.29315416
  H     17.76181532     11.33423523    -12.78839586
  H     12.82149059     11.06822924    -16.44554489
  O     17.98823887      6.30677966    -11.24473165
  H     16.81036192     12.16453873    -11.90407952
  H     15.60409683      4.51139247    -11.17474486
  O     14.86835462     11.22919527    -13.99084080
  H     16.13644499     10.51331924     -9.54771346
  H     15.03046972      5.41404589    -12.29075713
  O     13.20298272     10.35412148    -15.94152530
  H     15.65121972      9.03876105     -9.56145808
  H     19.26882131      3.79015292    -12.51873685
  O     15.30233607      5.40920260    -11.36084416
  H     13.86922549      5.48142116    -14.52295477
  H     18.81725789      4.67187209    -11.34698278
  O     19.05375369      3.76142101    -11.57889662
  H     15.31753853      6.01130041    -14.44017750
  H     12.31987258      9.18156923    -14.72007985
  O     11.99729174      8.52569485    -14.09055977
  H     18.49833535      6.70626097    -12.93428661
  H     12.08042181      7.67191723    -14.53138684
          69
 Energy    -248.56277985622791     
  O     11.73701054      8.88059031    -14.89958951
  H     12.27311064      8.59725256    -15.65494050
  H     15.79833403      5.66409478    -16.85871505
  O     16.96862785      6.45013380    -14.03119790
  H     12.04852264      9.76034950    -14.66334851
  H     18.70268156     10.97089469    -13.94705638
  O     16.60052991     10.00438234    -11.17076303
  H     16.38525623      5.99719874    -13.40602125
  H     20.19157504     10.71497158    -14.29371078
  O     15.50836416     11.09506942    -15.11844849
  H     17.55054261      7.02819320    -13.52005963
  H     12.58342100     12.29445657    -14.20793903
  O     13.93557643      5.14606244    -16.82886774
  H     15.68338438      9.90306629    -11.46237622
  H     13.81604090     11.42851821    -14.54704470
  O     14.88385634      6.80278984     -8.91869893
  H     16.65362209      9.67459935    -10.26549813
  H     14.54423423      8.20684001    -15.21180961
  O     15.15161269      5.36007691    -12.23184205
  H     16.15824550     11.13184825    -15.82912350
  H     15.77595260      7.76503620    -14.36842138
  O     14.07888255      9.61267324    -12.23288928
  H     15.43175597     10.15393082    -14.89354602
  H     11.47405336      7.54581033    -13.80556860
  O     15.99917403      8.59233930    -17.84147312
  H     13.58375861      4.42365759    -17.34163770
  H     10.41850917      6.60290514    -13.18562739
  O     16.65738774      4.79000386     -9.94843128
  H     13.68569505      4.98179966    -15.90197205
  H     17.97920695      7.54652048     -9.60233587
  O     17.75524936     10.67106025    -16.78722478
  H     14.20725889      6.91330707     -9.59981207
  H     18.55172635      7.31220561    -11.01462574
  O     16.65847449      6.09955939    -16.81345959
  H     15.38747293      6.01613867     -9.16254018
  H     13.92920884      4.88162758    -13.56770609
  O     19.30776993     10.38752076    -14.44243299
  H     14.53967526      6.02015499    -11.87704225
  H     12.54669283      5.46775558    -13.92321199
  O     12.94742306     11.41804631    -14.11146520
  H     15.65650303      5.02130959    -11.48236352
  H     16.68574538     11.70441273    -13.75360018
  O     15.09960296      8.44640998    -14.45860032
  H     14.41543360      9.09862378    -12.98737280
  H     17.16767510     11.32894741    -12.33640594
  O     11.35575623      6.77596532    -13.22110438
  H     13.56669928     10.32766218    -12.62443415
  H     17.73685024      8.92635501    -12.12778438
  O     18.38336675      6.87755530    -10.16936705
  H     16.63015962      9.24877628    -17.53367627
  H     18.80155531      8.93401958    -13.24861534
  O     13.23514805      4.87017179    -14.23908985
  H     16.34119928      7.73076389    -17.55290957
  H     16.83527591      9.03325554     -7.78311812
  O     17.42055149     11.81183526    -13.13534993
  H     17.34158043      5.47643880    -10.04741657
  H     16.04346529      8.08355751     -8.71463312
  O     18.38024539      8.36967268    -12.59173767
  H     17.08571761      4.02310160     -9.57858712
  H     12.52567726      6.97401579    -11.77459778
  O     16.76654973      8.73601587     -8.68618895
  H     18.27376264     11.14237276    -17.43582576
  H     13.52231621      8.09480926    -11.43711742
  O     13.27345485      7.18911487    -11.20306322
  H     18.34678827     10.48518376    -16.04249655
  H     14.34601113      8.28101423    -17.24224830
  O     13.58269735      7.93662463    -16.75178661
  H     16.88702963      6.13034697    -15.87505731
  H     13.59796033      6.97687559    -16.86045519
          69
 Energy    -248.56263039903655     
  O     -6.32808024      3.23853437     -1.97190841
  H     -6.24974953      3.08149579     -1.02136830
  H     -3.66165685     -0.33147796      2.42530456
  O     -2.14712124      3.12304310     -3.96110049
  H     -5.57899723      3.80600272     -2.20423678
  H     -0.53992670      2.61097127      1.50521666
  O     -5.66911050      2.48670883      0.63258312
  H     -2.67110140      2.34610166     -3.69878946
  H      0.76787143      2.23650872      2.26249354
  O     -2.62820178     -0.91150112      1.05967223
  H     -2.20559285      3.18720910     -4.91123041
  H     -1.68958430      4.20559736      0.06050068
  O      0.30507314      0.03644206     -1.52210828
  H     -4.83568598      2.13666448      0.27969791
  H     -0.73508688      3.24273870     -0.73559939
  O     -3.56648305      1.00745730     -2.98862067
  H     -6.12983357      1.73627904      1.02468958
  H      2.53081319      2.10926469      0.87818114
  O     -3.63563835     -2.60770776     -0.90462310
  H     -2.89151879     -1.58896815      0.42353787
  H      3.34836460      2.58869823      2.08963720
  O     -1.85883466     -1.20723152     -2.66502002
  H     -1.66655779     -0.92064689      1.14062851
  H     -6.40382032      1.67207515     -2.64281521
  O      0.04169817      2.74449213     -2.24311999
  H     -0.38462740     -0.46431645     -1.98273814
  H     -7.04457228      0.66280327     -3.62703939
  O      0.09769197     -0.45451955      1.28618070
  H      0.20048322     -0.15870567     -0.58372975
  H     -1.70096195      2.27905287      3.24748908
  O     -6.58206497      0.05547326      1.69392571
  H     -3.46109284      1.18212131     -2.03983681
  H     -2.38194605      2.62488997      4.58616863
  O     -4.24020799      0.13908308      3.04336129
  H     -4.51001716      0.87120943     -3.13429245
  H     -6.08670092     -0.45037365     -1.53675403
  O     -0.19336046      2.11783723      2.26668139
  H     -4.45934984     -2.08569253     -0.92126945
  H     -6.15473233     -0.69941452     -0.00489656
  O     -1.22077911      3.36247247      0.09314469
  H     -3.89105648     -3.52540899     -0.93697287
  H     -3.02554009      0.66263423      0.17702393
  O      2.50364435      2.22160047      1.84355542
  H     -2.40991068     -1.79061569     -2.13060836
  H     -2.54599988      2.12265136     -0.12959672
  O     -6.35520668      0.75615376     -2.97591799
  H     -2.44014228     -0.47936085     -2.92312384
  H     -2.79496425      6.52984129      0.27206662
  O     -2.56348118      2.40285293      3.67517594
  H      0.07181378      1.78694474     -2.09047991
  H     -3.34658089      5.19172298      0.82303176
  O     -5.85263309     -1.07556332     -0.84019978
  H     -0.62277631      2.90770733     -2.92357154
  H     -3.61334227      5.05248880     -1.60021865
  O     -3.24619247      1.47741093     -0.29202460
  H     -0.01364890      0.43278342      1.66486099
  H     -3.31526578      4.29768673     -2.91706161
  O     -2.85906785      5.59778835      0.08274542
  H      0.87975016     -0.82444052      1.68926729
  H     -3.58696875      3.67705423      2.64549955
  O     -4.01685552      4.72187453     -2.41129218
  H     -7.30285546     -0.19664964      2.26444398
  H     -4.76630920      3.70983135      1.65008634
  O     -4.09591689      4.26395405      2.07535895
  H     -5.77690310      0.06347678      2.24338997
  H      1.88364252      2.51811507     -1.36735684
  O      2.40393602      1.86306999     -0.88751581
  H     -3.74784813      0.92214145      3.31286927
  H      1.96985004      1.03215204     -1.12000005
          69
 Energy    -248.56244089666814     
  O    -12.79896963      3.54677904      2.03590907
  H    -13.02656321      4.27580886      2.62549401
  H     -9.16406948      0.68316394      6.68998383
  O     -4.76675271      2.07046081      1.47022263
  H    -13.25656965      2.76899297      2.37817778
  H     -8.72813518      4.88307567      3.02051396
  O    -11.27024874      6.10814397      5.26799978
  H     -5.65454520      1.73243024      1.65655619
  H     -9.46779952      4.26053807      4.22367631
  O    -11.01317624     -0.01548917      6.66565927
  H     -4.89059157      2.99643219      1.22809136
  H    -14.02218006      6.32184544      3.78681466
  O    -14.10366827      1.30409486      3.21300096
  H    -10.45592501      5.93214942      4.77839445
  H    -12.72187727      5.76447336      4.41023072
  O    -10.07706197      1.15846491      2.53040441
  H    -11.14355135      5.74906137      6.15439884
  H    -11.65429253     -0.26895612      4.86332447
  O     -7.33518414      1.52852560      2.44983200
  H    -11.35778619     -0.57422604      7.35845758
  H    -11.30499173      0.06471709      3.39469905
  O    -14.30480581      3.17207378      5.33998810
  H    -11.42884035      0.85744577      6.78163245
  H     -6.00147189      4.79513554      5.03239033
  O    -10.62250748      3.13116587      0.53741675
  H    -14.78718270      0.75085159      2.84426095
  H     -7.55576503      4.86686280      4.96257460
  O     -3.76904361      2.03337875      4.00257812
  H    -13.39031987      0.70924381      3.50377212
  H    -11.76582732      3.30436597      7.22590744
  O    -10.92907442      4.86042661      7.81898203
  H    -10.12595851      1.72600112      3.31696931
  H    -12.93602229      2.74223626      6.34875003
  O     -8.52063494      1.39580834      6.77223259
  H    -10.31052968      1.71536521      1.77816790
  H     -9.44587075      2.34777603      5.44779319
  O     -9.04565433      5.07675101      3.91007996
  H     -7.05289528      1.59146175      3.37332048
  H    -10.92166707      2.74181239      5.31795024
  O    -13.53067250      5.51715775      3.92714809
  H     -8.23918309      1.18889915      2.44641353
  H     -7.74855167      4.33424434      7.11156088
  O    -12.01491226     -0.25364601      3.96949713
  H    -14.35461975      2.50992621      4.63847163
  H     -8.40961387      3.04495887      7.61927151
  O     -6.81441607      4.56838553      5.50666863
  H    -14.14100102      4.01558327      4.89901157
  H     -7.81514909      3.17302827      1.83023499
  O    -12.09137474      2.51886274      6.76891272
  H    -10.91652768      2.99080375     -0.35874939
  H     -8.96962186      3.83422648      1.04422296
  O    -10.09217753      2.70669843      4.82581689
  H    -11.41492476      3.35764447      1.05890847
  H     -5.37428093      5.52051049      0.52849295
  O     -8.37873065      4.00054755      7.76378496
  H     -2.90929222      1.62834547      4.07544746
  H     -6.45713708      4.65803914      1.21336874
  O     -8.12093680      4.01816867      1.46613875
  H     -4.02806021      1.98063912      3.06521926
  H     -4.84571498      4.90313608      2.99774164
  O     -5.50313046      4.83808358      1.18263817
  H    -11.09420961      5.32404374      8.63570792
  H     -4.17449611      3.94444292      3.99894594
  O     -4.58410690      4.81474076      3.92237819
  H     -9.99137745      4.59517845      7.83206448
  H     -5.44764531      1.77633030      4.82746279
  O     -6.38533692      1.84041102      5.04718060
  H     -7.75217467      1.22860679      6.20954973
  H     -6.55296642      2.77475576      5.24603528
          69
 Energy    -248.56241633662901     
  O     -0.14124012      2.17768021     -6.11337862
  H      0.39030523      1.38405913     -5.98242850
  H     -3.20894658     -5.43117994     -4.33776631
  O     -2.86164157     -0.57614460     -8.14876689
  H     -0.32474669      2.53598586     -5.23620339
  H     -5.57775282      1.11347606     -2.47588420
  O     -1.16639758      0.59760451     -2.40619520
  H     -2.60417450      0.35273154     -8.21019574
  H     -4.34973504      2.05305092     -2.44945683
  O     -3.92747260      2.24228186     -6.04259042
  H     -2.17869769     -0.99981105     -7.61827948
  H     -7.92303936      0.57151610     -3.43971632
  O     -3.18725148     -0.52160255     -0.80673300
  H     -0.44065647     -0.02583619     -2.56343670
  H     -6.86222333      0.76561332     -4.54940826
  O     -1.99660657      2.15063043     -8.08859110
  H     -1.76158476      0.21747324     -1.74977416
  H     -2.61221201      3.39499677     -3.44886019
  O     -6.41401563      0.97391271     -6.21636121
  H     -3.38508253      2.38386049     -6.82624271
  H     -3.79609321      3.14269690     -4.38986722
  O      1.15140404     -0.36852928     -5.86668775
  H     -3.50568859      1.50735969     -5.57016561
  H     -0.82492006      2.21636773     -2.99912592
  O     -4.89142541     -4.29463153     -6.69574920
  H     -3.30415545     -0.46327147      0.13762154
  H     -0.12057045      3.58950720     -2.90563637
  O     -5.06028547     -1.41460935     -4.22489296
  H     -3.79861657      0.12673822     -1.20608653
  H     -1.77054579     -3.10110726     -3.30986250
  O     -2.07305312     -4.28248862     -7.10515504
  H     -1.72902239      2.74238517     -8.78635828
  H     -0.97236203     -4.20981377     -4.05446522
  O     -4.06950209     -5.02110199     -4.18462940
  H     -1.30423019      2.19048437     -7.40407473
  H     -5.16255951     -2.46418914     -7.02186526
  O     -4.75642290      1.29407674     -2.00604436
  H     -6.15564551      0.13859664     -6.62570747
  H     -4.42471619     -1.16313924     -7.45993395
  O     -6.98730869      0.52345163     -3.61349762
  H     -5.62026041      1.52763450     -6.22916439
  H      0.30721753     -1.99646823     -3.26351962
  O     -3.57407402      3.33862523     -3.46972005
  H      0.33614724     -0.86864685     -6.03395536
  H      1.08600384     -0.87506894     -3.98516291
  O     -0.69774364      3.06583281     -3.45623986
  H      1.80165290     -0.68775209     -6.48857133
  H     -3.28492433     -2.12601819     -1.83699035
  O     -0.94061733     -3.28747181     -3.77421942
  H     -5.50833594     -4.95085584     -7.01074600
  H     -4.02375699     -2.34870568     -3.16500743
  O     -5.20215795     -1.50060746     -6.98965395
  H     -4.68844357     -4.52520700     -5.77207499
  H     -0.96490927     -6.61220785     -5.15552877
  O      0.78474782     -1.16784708     -3.11688418
  H     -5.77600881     -0.84473312     -3.91746940
  H     -1.59137709     -5.34235959     -5.78564004
  O     -3.38596615     -2.75804207     -2.55813658
  H     -5.13618442     -1.47618005     -5.18775526
  H     -1.83434138     -1.01452089     -5.66199324
  O     -1.41342596     -5.79864887     -4.94317744
  H     -1.80708420     -3.37521651     -6.91818887
  H     -1.11223350     -2.32337282     -5.29422368
  O     -1.27272932     -1.71561233     -6.03143209
  H     -3.03927696     -4.27530628     -7.12172270
  H     -3.57503591     -0.34407303     -4.39973117
  O     -2.76923329      0.11250792     -4.67621538
  H     -3.92758997     -4.36725526     -3.48955908
  H     -2.26181377      0.32720655     -3.88391807
          69
 Energy    -248.56224935055673     
  O     -7.98687529      2.47011273     -0.59948626
  H     -7.22048834      3.03559635     -0.80415113
  H     -6.54269064     -0.65235554      1.86982562
  O     -3.90544797      3.26847510     -3.22471881
  H     -8.76390736      3.01238163     -0.70447588
  H     -0.87594213      0.98099900      1.92278821
  O     -6.64184072      1.07228437      1.40172500
  H     -4.16158202      3.55509684     -4.09793003
  H      0.10948223      2.15665836      1.97781514
  O     -3.57929891     -0.89916272      1.93890187
  H     -4.19510580      2.34153910     -3.13841234
  H     -1.88788177      2.81408208      1.19411897
  O     -1.28822223     -0.20028844     -1.61192355
  H     -5.79123780      1.08888799      0.93490211
  H     -3.03949288      3.83176026      0.83338618
  O     -4.66948270      0.73140870     -2.75230066
  H     -7.26562816      1.52046264      0.81753844
  H      0.83427084     -0.80521269      1.15236570
  O     -6.15726238     -1.86338770     -0.87297402
  H     -4.42622844     -1.32875261      2.10094068
  H      2.21388132     -1.33968962      1.59691276
  O     -3.49196232     -1.74593348     -2.15529954
  H     -3.74832094     -0.25759784      1.22991997
  H      1.89279938      1.23045310      1.09803007
  O     -1.47387984      2.61098291     -1.97131089
  H     -0.34532819     -0.35032216     -1.78018498
  H      1.60807683      2.39987533      0.14089246
  O     -0.96687166     -0.70349101      1.12742182
  H     -1.45046700      0.73827845     -1.76862397
  H     -7.04587537     -0.51477863     -1.75410808
  O      1.43634184     -0.27139847     -1.78458943
  H     -5.63108076      0.60563580     -2.69482053
  H     -7.63496957      0.92969862     -1.70491255
  O     -6.31047622     -1.58854796      1.99843099
  H     -4.26644988     -0.14390355     -2.73195323
  H     -2.28650575      1.62127285      3.42186234
  O     -0.77852580      1.88574195      2.25070477
  H     -6.16697964     -1.89635620      0.09015377
  H     -3.32651363      0.50334924      3.25353828
  O     -2.45313110      3.15023234      0.48407780
  H     -5.23419756     -1.91189356     -1.14502012
  H     -4.38384356      0.94174024     -0.88606371
  O      1.79217158     -0.71012384      1.01758289
  H     -2.67005334     -1.27451469     -1.93949975
  H     -3.64060169      1.78870320      0.19716219
  O      1.69455450      2.17528893      1.07509915
  H     -3.24183342     -2.49649239     -2.68944016
  H     -4.50887015      5.72269852      1.71574666
  O     -7.27849824      0.25631685     -2.29493782
  H     -2.19377176      2.89347513     -2.54676767
  H     -4.80871968      4.22379396      1.97117992
  O     -3.16390891      1.33917430      3.70790333
  H     -1.74515107      2.86625676     -1.07463122
  H     -5.10637847      3.85084319     -1.76396143
  O     -4.21021418      1.02101459      0.05842172
  H     -1.12024965     -0.52689469      0.18835422
  H     -5.32595126      4.34671786     -0.31117922
  O     -4.47835998      4.86108493      1.30994762
  H     -1.81811090     -0.96551611      1.50358760
  H     -4.55102592      2.44944381      3.36770948
  O     -5.77638340      3.98810080     -1.08614762
  H      1.71746465     -0.50328312     -0.89019304
  H     -5.89476772      2.34435817      2.61334669
  O     -5.29035045      2.97342371      3.02394472
  H      1.53722003      0.68731194     -1.85214350
  H      1.68717789      3.26572023     -2.29331137
  O      1.28336823      2.58738891     -1.75729243
  H     -6.96282105     -1.95565377      2.58910708
  H      0.32456607      2.65769773     -1.89492586
          69
 Energy    -248.56200225257652     
  O     16.80099328     11.14499436    -16.20658397
  H     15.85682227     11.04824673    -16.37029061
  H     17.54808082      5.99354126    -12.32390436
  O     15.70144964      5.06725984    -14.86023785
  H     17.32309180     10.67185481    -16.87329294
  H     21.34208624     11.38749986    -15.61844442
  O     16.60732716     12.66065189     -9.67787461
  H     16.39687367      5.06583127    -14.19214554
  H     19.88512520     11.55547946    -15.12219101
  O     19.75678167      8.83236884    -13.75327097
  H     16.02129623      5.62572661    -15.58282572
  H     17.99276577      8.76584684    -14.35820457
  O     15.96448081      8.87698529     -9.09880062
  H     16.67984159     13.44956531     -9.14650394
  H     16.98864907      9.68535050    -15.10868446
  O     14.99046073      8.17709722    -13.02792738
  H     17.15920623     11.98339086     -9.25492268
  H     13.30550147     11.22091374    -16.49427641
  O     17.03737321     11.84865810    -12.34297913
  H     20.11875759      9.55355673    -14.28569653
  H     13.92992786      9.84005095    -16.19253333
  O     19.59009421      6.32650211    -14.89828437
  H     19.53369014      9.18052777    -12.88011115
  H     16.21855711      7.65100782    -11.86870945
  O     13.36954184      6.31426923    -14.35370612
  H     15.30201155      9.45678817     -9.50444500
  H     17.59802475      8.17855030    -11.38775652
  O     19.16290687      6.94161441    -17.51206884
  H     16.20330962      8.21874141     -9.76073566
  H     14.75583580      7.74468035    -16.76124901
  O     16.48702934      7.03751738    -16.69757762
  H     14.37297038      7.55475708    -13.42955848
  H     13.55930074      7.53102091    -15.82167404
  O     17.78780407      5.26095630    -12.91423418
  H     15.70042380      8.35643803    -13.66773514
  H     18.52753617     10.27935527     -7.87407012
  O     20.53765175     10.90652742    -15.44512587
  H     16.17928908     11.55376394    -12.67912971
  H     17.30518179      9.88157803     -8.74126590
  O     17.07847159      8.83551727    -14.65693602
  H     16.88095790     12.27339298    -11.49095618
  H     18.05738248     10.45062948    -11.81427458
  O     14.00982891     10.79411349    -16.01335549
  H     19.80389470      7.16569267    -14.46488777
  H     18.63152082      9.98090738    -10.46319624
  O     17.00696845      7.41429854    -11.35455521
  H     19.00229897      5.86864270    -14.28752082
  H     14.26368059     10.94785446    -11.22456908
  O     13.91221325      8.13099055    -16.48937814
  H     14.15490423      5.76160315    -14.52409028
  H     14.98450542     11.58815575    -10.02903675
  O     18.06057323     10.49699728     -8.67572940
  H     12.65922812      5.72516100    -14.11691103
  H     19.47982135     10.14044504    -16.91427746
  O     18.60271993      9.76377188    -11.40097216
  H     19.72029533      6.41144852    -18.07483706
  H     18.94813137      8.85330277    -17.57632258
  O     14.38912812     10.86921780    -10.27142664
  H     19.35485265      6.67451863    -16.59479241
  H     14.61667362      9.92153074    -13.03618222
  O     18.80608900      9.80536852    -17.51892597
  H     17.30756238      6.90896609    -17.18596315
  H     14.29928795     11.00281426    -14.08381445
  O     14.53927159     10.88066618    -13.15888393
  H     16.71225412      7.65126969    -15.98142669
  H     17.90422039     12.19298030    -15.24012710
  O     18.55620623     12.51711208    -14.59987608
  H     18.04255749      4.53360042    -12.35076432
  H     18.12486313     12.41540833    -13.74240660
          69
 Ord_Energy   -248.561569    
 O   -1.23769236       1.05844367       2.54660010    
 H  -0.703236341      0.383824170       2.11256790    
 H   -1.46261525      0.685320437       3.40950108    
 O   -6.69415665      -4.18755198       4.11110687    
 H   -5.84639168      -3.90010619       4.48493719    
 H   -6.67716312      -5.15553951       4.11141777    
 O   -4.00088692      -9.52744484E-02 -0.691426814    
 H   -3.90328693      0.556629896       2.95094606E-02
 H   -3.95385575      0.388829827      -1.51041210    
 O   -4.25031710      -3.36957288       4.95211172    
 H   -3.50425315      -3.93252563       4.70357704    
 H   -3.99874401      -2.79934549       5.68822908    
 O   -7.70666313       2.03061197E-02   2.46295977    
 H   -7.92707348     -0.621947765       3.14891648    
 H   -7.24717379     -0.476293772       1.77190638    
 O    7.01569989E-02  -1.29459763       1.47172391    
 H   -7.21172094E-02  -1.81368876       2.28497195    
 H   0.985479355      -1.40499425       1.23029065    
 O   -3.72208714      -7.34470749       1.19783533    
 H   -4.66431379      -7.34392691      0.987809956    
 H   -3.43283510      -6.43179893       1.05811608    
 O   -3.43202400      -7.52632046       3.89872313    
 H   -3.48267198      -7.55541945       2.92597675    
 H   -3.09893727      -8.37430000       4.18110800    
 O   -3.70701289       1.56959760       1.38145530    
 H   -2.82819533       1.48130727       1.77921271    
 H   -4.34344578       1.58076155       2.10464311    
 O  -0.593565345      -2.61983562       3.73062396    
 H   -1.06497192      -3.45492601       3.82782125    
 H   -1.11352384      -1.94222617       4.18402386    
 O   -5.74759960       1.64973319       3.43572378    
 H   -6.07013798       2.53921962       3.56396699    
 H   -6.48186684       1.14217472       3.04687238    
 O   -8.02360439      -1.84376621       4.61071539    
 H   -8.83744335      -2.01289320       5.07974577    
 H   -7.62612009      -2.71093345       4.42738342    
 O   -4.06598663      -1.54244697       2.83337593    
 H   -3.42203593      -1.81005538       2.16244721    
 H   -4.14296150      -2.24319172       3.49440265    
 O   -2.31033707      -4.92462492       3.78716803    
 H   -2.61282206      -4.76880312       2.87885594    
 H   -2.55797696      -5.83565044       3.98657632    
 O   -2.44203091      -2.07642007      0.564176261    
 H   -1.54621387      -1.77004218      0.756011248    
 H   -2.88851714      -1.40445614       3.35874595E-02
 O   -5.89762163     -0.185995817       5.62953615    
 H   -5.74849081      0.459900975       4.92778158    
 H   -6.63349247     -0.736817718       5.33785391    
 O   -6.52240086      -6.84597445      0.936108589    
 H   -6.45186090      -5.87702656      0.972389042    
 H   -7.23457003      -7.04626751      0.334194750    
 O   -2.22696853     -0.497030497       4.67108059    
 H   -2.63121748     -0.662911534       5.52983904    
 H   -2.91401577     -0.683327556       4.01328754    
 O   -3.34515572      -4.56805849       1.23255455    
 H   -4.29847527      -4.41688633       1.28212178    
 H   -2.95388651      -3.76718307      0.857782543    
 O   -6.26781321      -6.87554407       3.81039619    
 H   -5.34378386      -7.10688210       3.96332288    
 H   -6.42581892      -7.02949858       2.87074685    
 O   -6.14366722      -4.14773321       1.36657488    
 H   -6.37249041      -4.12323618       2.30669165    
 H   -6.18492031      -3.23897481       1.04085612    
 O   -3.80340958      -1.34294128       6.84764099    
 H   -4.58313656     -0.887953043       6.47576666    
 H   -3.82630968      -1.21197617       7.79086447    
 O   -5.95725298      -1.43450034      0.843118548    
 H   -5.45432281      -1.00062132      0.144365177    
 H   -5.38305712      -1.40377259       1.62680554    
          69
 Energy    -248.56155423932609     
  O     13.78766047     13.34313949    -11.12379657
  H     14.65633651     13.72062552    -10.89844291
  H     12.50354660     11.72779120    -14.83635047
  O     15.61138643     10.91811461    -17.89503468
  H     13.66590015     12.54206411    -10.60481084
  H     15.49607250     13.48051425    -16.13592516
  O     15.18596289      7.95854764    -12.31389930
  H     15.78653336     11.02900854    -18.82531432
  H     13.97463563     13.37371329    -16.39508464
  O     16.28075823     14.37543021    -10.94865669
  H     15.32351605     11.78528190    -17.55608553
  H     12.63738867     14.03640345    -14.65790044
  O     14.01976038      9.26121947    -16.31063651
  H     14.34053550      8.42691820    -12.29995532
  H     11.57382909     13.90090412    -15.77239013
  O     14.20700133      5.44239807    -12.81301521
  H     14.96986749      7.01541543    -12.34264505
  H     17.64445754     11.58404756    -11.37401227
  O     15.03137543      5.40277160    -15.57012882
  H     16.26719036     15.01653212    -11.66810618
  H     18.43213270     12.24009387    -12.52150856
  O     15.00141256     11.95636776    -13.23530897
  H     16.98999553     13.74717180    -11.14942319
  H     13.80323130     10.46421820     -9.09364887
  O     12.67434295      9.27850221    -12.23096486
  H     14.46996058      9.79716675    -16.97547048
  H     14.69209245     10.58190325    -10.35237773
  O     16.07181671      7.95548122    -14.94351648
  H     14.72014714      8.82111748    -15.80622673
  H     16.96095510     10.44915925    -16.58943074
  O     18.87384456     12.02859973    -14.41024364
  H     14.53664193      5.26347557    -13.70281811
  H     17.15101574      9.35838420    -15.51863823
  O     12.76199349     10.87115935    -14.47339586
  H     13.30867863      5.77676058    -12.93041288
  H     13.00986621      7.67057972    -16.19904612
  O     14.83788538     13.25143480    -16.80641567
  H     15.16812248      4.70087670    -16.20024367
  H     12.29060722      6.85347941    -15.09696359
  O     12.34862382     13.48266878    -15.40623632
  H     14.17830582      5.81939015    -15.79025330
  H     16.23608023     15.17852258    -13.89063382
  O     18.13193774     12.38172470    -11.61638777
  H     14.58389132     12.51001447    -12.55985612
  H     16.35043744     16.70911561    -13.70025538
  O     13.78811355     10.70689350    -10.01641381
  H     14.28868165     11.54018471    -13.73436121
  H     16.06020998      9.41181265    -11.60795752
  O     17.53093677     10.17783704    -15.86091241
  H     12.61767929      9.89037212    -12.98078905
  H     15.88294767     10.88143144    -12.07350452
  O     12.72037047      6.78032234    -15.95832906
  H     12.88746711      9.79280265    -11.44365898
  H     13.23358726     14.46624150    -12.48341834
  O     15.91152607     15.93099360    -13.36667546
  H     15.89448209      7.04645262    -15.21581561
  H     14.06317068     15.42141442    -13.35934656
  O     16.19168876     10.33008825    -11.33612619
  H     15.84545863      8.00799044    -14.00448327
  H     10.85183998      6.68955930    -12.95859742
  O     13.22034793     14.95366813    -13.31901176
  H     18.42070686     11.32395755    -14.90783584
  H     11.98531646      7.73049062    -12.84711610
  O     11.73395321      6.89001744    -13.26296061
  H     19.79360095     11.98776559    -14.65792996
  H     17.49495944     13.23563220    -14.67414789
  O     16.61898266     13.63907885    -14.67890984
  H     13.12979717     10.33182527    -15.18903501
  H     16.05507212     13.04113646    -14.16170491
          69
 Energy    -248.56124333857844     
  O     -5.33707621      3.76793457      1.26478147
  H     -5.04219391      3.80039462      2.19429218
  H     -0.99169496      1.51411387      5.01643576
  O     -2.09422598     -1.57030239     -1.81224177
  H     -6.28814401      3.83149206      1.27442602
  H     -2.59020911      5.82381736     -0.64187170
  O     -0.02310896      4.80706954      0.41858168
  H     -1.17278164     -1.85158030     -1.74995358
  H     -2.04320483      6.52231849     -1.91349810
  O     -1.86223841      2.94685710     -1.87732466
  H     -2.10230100     -0.83601141     -2.43862108
  H      0.02397967      0.47381550     -3.16736972
  O     -0.43366757     -1.29858746      3.96662914
  H      0.41035977      4.10572961     -0.08700246
  H      0.93293502     -0.42110462     -2.30801271
  O      0.19006536      5.20454445      3.15863383
  H     -0.62011660      5.24880739     -0.19571952
  H     -2.23336420      2.14938572      3.38727229
  O     -1.52582376      2.74059858      1.82055306
  H     -0.97930615      2.76098798     -1.52215040
  H     -2.94283848      0.88746394      3.95019651
  O     -3.23002810     -0.88101787      3.35710609
  H     -1.96801798      3.90633161     -1.86159656
  H     -1.46539512      5.71609507      3.40596038
  O     -1.87292093      0.72347852     -3.53405747
  H     -0.12169043     -1.35440995      3.05587357
  H     -2.37806981      6.81723048      3.98313414
  O     -2.72452658     -0.61731502      0.67469237
  H     -1.39561875     -1.27119370      3.89480136
  H     -3.09885480      2.33491422     -0.66455789
  O      0.04874084     -0.99191318      1.13962713
  H      0.70007019      4.46012247      3.49831404
  H     -4.23897719      2.56519910      0.40140274
  O     -0.07816362      1.22535134      5.12892673
  H      0.29695774      5.19123523      2.19690447
  H     -3.69192642      4.68980043      3.75555687
  O     -2.01026857      5.70903604     -1.41773764
  H     -2.23259487      2.48062379      1.21580546
  H     -3.87131671      3.18800321      4.05190874
  O      0.89220937      0.43741734     -2.74864540
  H     -1.14477544      3.55972973      1.48356141
  H      0.93010409      1.81479140     -1.60498349
  O     -2.68867200      1.79344526      4.16631889
  H     -3.95534638     -1.47577449      3.53117058
  H      0.92804005      2.10108675     -0.07656170
  O     -2.38476464      6.03246567      3.44048944
  H     -3.10873020     -0.86364343      2.39282726
  H     -3.08894074      5.99626350      1.68757552
  O     -3.55337577      1.95501827      0.10007356
  H     -1.94994075      1.54491106     -3.02272806
  H     -4.17914336      5.21900426      0.91730405
  O     -4.34469597      3.97837814      3.75669047
  H     -2.25407792      0.89799321     -4.39133096
  H      1.41471204      1.95199713      2.40549809
  O      0.73494906      2.49111800     -0.94013759
  H     -3.07991976      0.26180804      0.48414406
  H      0.02489221      1.87143114      1.75959782
  O     -3.47687882      5.87202401      0.81232671
  H     -2.60991028     -1.05704490     -0.18081034
  H      0.55056623     -1.70414886     -0.40099779
  O      0.93818568      1.55537452      1.66756826
  H      0.46585178     -0.14071943      1.33778933
  H      1.22955141     -2.80415560     -1.24890882
  O      0.69628736     -2.01608918     -1.31083610
  H     -0.89473566     -0.82259781      1.00790982
  H      2.48108931      2.96520718      4.55562109
  O      1.70034386      2.90324873      4.01227953
  H     -0.06290091      0.31296395      4.80650958
  H      1.08007623      2.31234745      4.47923396
          69
 Energy    -248.56116469791425     
  O     19.23675246      7.83712016    -13.52897261
  H     19.07457522      8.35791822    -12.73305624
  H     14.72165157      5.48392959    -11.92706858
  O     15.69509870      3.52091580    -14.19025152
  H     18.83929222      6.96997352    -13.38355150
  H     13.68889360     10.63783990    -11.27932820
  O     12.98836913      9.09545693    -13.96427812
  H     15.71996920      2.63271634    -14.53523797
  H     12.99250488      9.66080463    -12.26685929
  O     10.89547708      8.34661097    -10.47213963
  H     15.21245599      4.06344822    -14.84074974
  H     15.94142172      8.05930753    -14.31129213
  O     14.37269169      5.25402793    -15.81029013
  H     13.25348899      9.46701428    -14.81958575
  H     14.70481331      8.72915092    -13.64492267
  O     18.73439268      8.70489338    -16.05748732
  H     12.74728726      8.16575555    -14.08254093
  H     17.11102662      5.85398894    -12.58101894
  O     15.12556848     11.86112156    -11.23597275
  H     11.27761836      7.86647540     -9.72741081
  H     17.09985516      4.69543191    -13.60134845
  O     12.28902275      6.66303626     -8.59595927
  H     11.55825054      8.99931506    -10.73374599
  H     15.02081120     10.35615445    -16.15766833
  O     16.61048986      6.93042394    -15.58424555
  H     13.62107441      5.67643387    -15.37721390
  H     13.86371425     10.29802378    -17.16647829
  O     10.20149924      6.46893947    -12.31556377
  H     15.06106069      5.92860048    -15.89737100
  H     17.44995253     10.11797394    -16.04226125
  O     11.86047292      4.87065776    -10.58392963
  H     18.98006773      8.45202669    -15.14898018
  H     16.87375393     11.01980562    -14.94645606
  O     14.08728050      4.83835928    -12.26983309
  H     19.53135749      8.66228125    -16.57902899
  H     13.04544380      5.87051966    -13.39792545
  O     13.10090299      9.87511355    -11.32794047
  H     15.08048122     12.81394448    -11.23203911
  H     11.59911796      6.37823284    -13.54567869
  O     15.63998518      8.52269598    -13.51918804
  H     15.75058758     11.61286751    -11.93797206
  H     16.48106033     10.04291133    -13.23347658
  O     17.58175256      5.49245734    -13.34729901
  H     12.15399042      5.95660014     -9.25325367
  H     17.72318904     10.61073019    -12.52733931
  O     14.08511993     10.11600060    -16.25695234
  H     12.02167808      6.30947535     -7.75216368
  H     15.86319354      7.40263540    -12.17864860
  O     16.75170101     10.76096682    -15.86869668
  H     17.01554258      6.40212341    -14.88046314
  H     15.51609914      7.11790040    -10.70388549
  O     12.46000021      6.37112106    -13.98417750
  H     17.30724603      7.49096099    -15.94657375
  H     18.03834452      9.62224837    -10.68765938
  O     16.94985624     10.87251708    -13.04071488
  H     10.40013378      7.19349943    -11.69539920
  H     19.55550623      9.86859302    -10.81222969
  O     15.94244637      6.73360236    -11.48008139
  H      9.25699271      6.47036283    -12.44500411
  H     16.12631424     10.67626754    -10.04441321
  O     18.78705514      9.59810657    -11.30900197
  H     12.64833817      4.72484177    -11.12593610
  H     15.95439455      9.26121128     -9.47757545
  O     16.61925442      9.93261969     -9.67781466
  H     11.20604760      5.26428101    -11.17351672
  H     13.98774102      8.69781000    -10.21955515
  O     14.46569221      8.12103399     -9.60506894
  H     14.58392288      4.24064051    -12.84029057
  H     13.79655217      7.60765424     -9.13717520
          69
 Energy    -248.56112344724312     
  O     16.69415106      4.92642074    -16.77704227
  H     17.26577455      4.97901726    -17.53866467
  H     17.02044784      4.53913101    -13.08112288
  O     18.11739264      6.03235561     -9.88383399
  H     16.32507934      5.81673028    -16.65799578
  H     17.12373358     10.09778980    -15.56072847
  O     15.31147007     11.39179701     -9.61091014
  H     17.96747020      5.70171115    -10.77913934
  H     15.65286252     10.54484310    -15.36831187
  O     18.87129687      9.78048233    -14.75761835
  H     18.36936218      6.96125129     -9.96814099
  H     16.27428222      9.78126418    -12.08501531
  O     16.29562023      3.49228520    -14.48896603
  H     16.02680448     11.07744518     -9.04370060
  H     16.60735668      8.39161381    -12.72866722
  O     13.27071940      9.44455771     -9.00669173
  H     14.55288848     10.83445379     -9.40221149
  H     13.29795984      6.03821636    -14.66387551
  O     15.85705150      5.57417939     -8.47926986
  H     19.68153413      9.97033660    -15.22250499
  H     12.32217243      6.47611477    -15.78071317
  O     13.81566775      7.92467625    -11.18849172
  H     18.96134298     10.17114592    -13.86995266
  H     16.64514494      9.40938278     -7.74909775
  O     18.96214831     10.78592646    -12.25579541
  H     16.47000752      3.96078984    -15.32348957
  H     17.65091491     10.42090913     -7.14626784
  O     15.38977365      8.23242474     -7.54796665
  H     16.42135880      2.56299458    -14.66301659
  H     14.99303705      5.30535399    -10.13472879
  O     15.63199291      7.38755159    -16.17261798
  H     12.33316870      9.55929332     -8.87660219
  H     15.60766526      5.33932789    -11.54734887
  O     17.22325519      5.24708074    -12.45838740
  H     13.37962242      8.88598016     -9.79589818
  H     15.88702159     11.65165658    -11.27424754
  O     16.23996304     10.03940260    -15.94343620
  H     16.70935982      5.73352568     -8.92629021
  H     15.60203115     11.65844926    -12.82234087
  O     16.23398060      8.82456377    -11.95065041
  H     16.01232021      4.89342971     -7.82943005
  H     17.61027364      8.76545111    -10.76612904
  O     13.05565989      6.77709567    -15.25059168
  H     13.96293572      6.97354599    -11.12870263
  H     18.13793650      9.29061333     -9.41105163
  O     17.28956058     10.10642164     -7.97046760
  H     14.68229994      8.29752925    -11.42319618
  H     13.76073316     11.98868737    -14.52838961
  O     14.76361893      5.31147891    -11.07205990
  H     18.11144143     11.24477067    -12.19371862
  H     13.85578116     10.54687656    -13.97799723
  O     16.29495643     11.59811475    -12.15357047
  H     18.97826782     10.15353784    -11.52703411
  H     13.98596205      4.85735012    -12.72088224
  O     18.40647714      8.83005674    -10.21679783
  H     14.59143919      8.58640766     -7.95994580
  H     14.60991501      4.23673576    -13.98308877
  O     14.37621241     11.34159524    -14.19341625
  H     15.48778554      7.32412921     -7.85789765
  H     12.94431839      8.34495842    -14.21773969
  O     13.84280313      4.72958665    -13.66747374
  H     15.78316879      8.34444502    -16.21462988
  H     13.15646630      8.70081057    -12.73956662
  O     12.98645704      9.09033314    -13.60711192
  H     14.71929663      7.23794290    -15.89535893
  H     18.06614599      8.18141752    -14.30903911
  O     17.45151416      7.48199748    -14.05213853
  H     17.39104655      6.03344474    -12.99834146
  H     16.80671853      7.39660252    -14.76741902
          69
 Energy    -248.56090128391119     
  O     12.81338751     11.62443608    -10.20164009
  H     12.84196006     10.97790157    -10.92114636
  H     11.04178383     14.57998993    -12.56613895
  O     11.14550880     12.91966140    -14.99540484
  H     13.13854088     12.46216679    -10.56245762
  H     17.50343124     14.14162266    -17.84290974
  O     12.95093425      9.74274573    -12.31102859
  H     11.42987636     13.52920980    -14.30034548
  H     16.10581776     13.51308545    -17.60731854
  O     18.06081744     10.96927602    -13.43452704
  H     10.30410360     12.54289744    -14.70751235
  H     14.72946499     14.08002001    -10.88069938
  O     10.13349720     11.86528423     -9.80180161
  H     12.86410594     10.04200877    -13.22945425
  H     14.20419622     13.33711827    -12.13275565
  O     10.10079244     10.09363201    -12.05133608
  H     13.89500445      9.59663915    -12.17964318
  H     13.44825842     16.98001255    -14.76238317
  O     12.90434707     10.80804267    -14.86584316
  H     18.82407689     10.43215413    -13.23557624
  H     12.94522762     15.66437649    -14.13316298
  O     16.44955890     13.99765308    -10.16234113
  H     17.31816678     10.59560002    -12.93045272
  H     14.09760668     11.90536391    -14.06902891
  O      8.89484618     11.77378566    -13.81452620
  H     11.10428518     11.80510894     -9.82572483
  H     15.18897399     13.03649621    -14.02696560
  O     15.99954630     14.54111467    -14.66879997
  H      9.87339729     11.76308061     -8.89010759
  H     17.34332251     11.08580822    -15.19004497
  O     14.60429967     12.93517798    -18.17925083
  H     11.01858500      9.80430665    -12.11586980
  H     17.09222034     12.01826618    -16.40382130
  O     11.89138968     14.78257312    -12.98508432
  H     10.03133194     10.59054598    -11.22587241
  H     12.96755706     15.01377217    -16.29919262
  O     16.93953966     13.77101898    -17.17034720
  H     13.36988757     10.59347870    -15.68415846
  H     11.99149224     13.83579703    -16.39672596
  O     13.92533711     13.87251257    -11.37083542
  H     12.25231348     11.50151288    -15.03941600
  H     14.67484219      9.49564600    -17.56180275
  O     13.58167335     16.03489053    -14.76746773
  H     16.95302322     14.59546352     -9.61661528
  H     15.41896369     10.52032700    -16.67138101
  O     14.71263638     12.38343567    -13.49924958
  H     16.94094509     13.89975373    -10.99784342
  H     15.41306299     11.01181276    -12.57182994
  O     16.92870904     11.13190717    -16.05894314
  H      8.06232459     11.41070870    -14.10359562
  H     15.81671335     10.52285476    -11.15298535
  O     12.62262709     14.35479550    -16.91200726
  H      9.30967282     11.10622226    -13.23910052
  H      9.72925181     13.23226051    -11.09279373
  O     14.54979538     10.28863339    -17.04704913
  H     15.23224441     15.12303548    -14.73414918
  H      9.20209972     13.20282511    -12.53268196
  O     15.78312993     10.25806004    -12.08459761
  H     16.33295675     14.37632365    -15.56102755
  H     17.89682185     12.80756330    -12.85815909
  O      9.58961264     13.78738453    -11.86992959
  H     14.46616408     12.01855243    -17.91683705
  H     17.18360937     14.10937016    -13.28106433
  O     17.68172894     13.69952788    -12.56102909
  H     13.86540212     13.44406796    -17.81146379
  H     15.93978263     12.21139814     -9.64179078
  O     15.61227188     11.30849567     -9.54104824
  H     12.57830916     14.54138150    -12.34711608
  H     14.64933977     11.37358686     -9.52419013
          69
 Energy    -248.56075382795956     
  O     12.86761724     11.29628538    -10.64765771
  H     13.03510328     12.17896620    -11.01152140
  H     15.94778326     13.62281793    -17.62546384
  O     11.37398377     11.87983693    -14.62470805
  H     11.94971039     11.28487590    -10.34909803
  H     14.29699916     14.04297205    -11.33545536
  O     12.68777694      9.94044840    -13.08187699
  H     11.39261233     12.72651010    -14.15665417
  H     13.94311313     13.28063822    -12.64418321
  O     18.61439659     12.37155314    -13.31809548
  H     10.45940902     11.57139672    -14.58762417
  H     12.72486912     16.67244199    -15.63312853
  O     10.10685883     11.28847493    -10.14649188
  H     12.81487107     10.36346770    -12.22049233
  H     13.74869903     15.61229590    -15.17295495
  O     10.00620876      9.34386211    -12.26117529
  H     12.32526184     10.60969542    -13.68042031
  H     15.01096953     13.44749065    -14.45566638
  O     15.89716021     14.26095499    -10.39118656
  H     17.91669094     11.76021858    -13.02719554
  H     14.72800330     11.96078153    -14.80097353
  O      8.76314684     10.98654608    -14.04634760
  H     19.43108840     12.05906426    -12.93637072
  H     17.52170221     12.68404866    -16.45337579
  O     15.46273540     15.13069441    -15.02733140
  H      9.78221845     11.95660463    -10.77704350
  H     18.12831329     12.09225985    -15.15957306
  O     14.63756995     12.56656322    -17.91344102
  H      9.56860945     11.36454003     -9.36333124
  H     12.36675461     14.25995423    -16.40221348
  O     11.36022609     14.38037466    -13.30183393
  H      9.99620259      9.86493607    -11.44807892
  H     11.93205772     12.79697960    -16.19764830
  O     16.69808848     14.17826163    -17.33845915
  H     10.92544840      9.34311388    -12.55752671
  H     14.92828753      7.78238690    -13.83297720
  O     13.56241600     13.68911652    -11.84984844
  H     15.87328900     13.30789471    -10.19160684
  H     14.13815909      9.09070744    -13.58850659
  O     12.79931571     15.78599129    -15.28800064
  H     16.05258562     14.71202018     -9.56555975
  H     16.18661715     10.93106305    -15.98839647
  O     14.72759202     12.60370640    -14.08016224
  H      9.11597200     10.31194469    -13.43893577
  H     15.21479636      9.85195574    -15.41517994
  O     17.72348602     11.85511098    -16.00140020
  H      8.03667022     10.58675324    -14.51604728
  H     16.08634635     10.03034049    -13.00288050
  O     12.24043705     13.42359582    -16.86448899
  H     16.09541803     15.15065090    -14.29233079
  H     15.84405510     11.54800350    -13.11011809
  O     15.00247514      8.73240157    -13.85889173
  H     15.94225410     14.90332158    -15.83546021
  H      9.87000812     13.61330295    -12.46290094
  O     15.26377767     10.62517413    -15.98585776
  H     13.75878318     12.88316350    -17.65756562
  H      8.92858217     12.42915063    -12.77174132
  O     16.39936074     10.88181845    -12.67544011
  H     14.78271890     11.75793546    -17.40557665
  H     16.78175168     14.68075747    -12.02980280
  O      9.23620840     13.00474673    -12.06034991
  H     11.72321403     14.95879662    -13.98348658
  H     17.74264908     14.04600188    -13.05411506
  O     17.15622060     14.79921228    -12.91101750
  H     12.08116367     14.23529613    -12.67049779
  H     15.98809789     11.23047595    -10.89333209
  O     15.63215745     11.57293481    -10.06197946
  H     17.07849869     14.55718281    -18.12573384
  H     14.69336132     11.34485844    -10.07343676
          69
 Ord_Energy   -248.560501    
 O   -2.98084068      -3.75133729      -5.88697672    
 H   -3.26512551      -4.49954319      -6.40676451    
 H   -2.61063886      -4.10965061      -5.06100321    
 O   -4.98750496      0.487808347      -3.70093894    
 H   -4.91584206     -0.444076508      -3.97686601    
 H   -5.90988874      0.720868230      -3.76177740    
 O    1.31759095       1.21280193      0.573825240    
 H   0.512135923       1.69815958      0.792933285    
 H    1.45153880       1.35078287     -0.372096628    
 O   -1.04785681      0.117700353      -5.26714230    
 H   -1.19132018     -0.527931571      -4.55944920    
 H   -1.65204775      0.854959965      -5.10816097    
 O   -4.71093607      -2.15218663      -4.21325254    
 H   -4.62981558      -2.66308713      -3.39821649    
 H   -4.18034649      -2.60903931      -4.87621021    
 O   -2.91670275      -3.06021786      0.367621750    
 H   -2.83106780      -2.15452766      0.689083576    
 H   -2.06872439      -3.48582578      0.539903224    
 O   -1.41795444       2.15311933      -1.87006032    
 H   -1.97889519       1.36343932      -1.85399818    
 H  -0.520009696       1.86309612      -2.08780313    
 O    1.16930866       1.17953503      -2.32145119    
 H    1.44805634       1.20214760      -3.24419308    
 H    1.12474513      0.235842675      -2.10205579    
 O   -2.74448085       2.12988639      -4.45814896    
 H   -3.56111145       1.65997720      -4.24555922    
 H   -2.33650661       2.36672306      -3.61640453    
 O    1.72150636      -2.22998619      -5.10618830    
 H    1.84533441      -1.27540803      -5.07655573    
 H   0.953246951      -2.38095093      -5.67580032    
 O   -1.30897653       2.36937714      0.876083434    
 H   -1.37845552       2.41913867      -9.28242728E-02
 H   -1.57316327       3.22137976       1.21379983    
 O   -1.38633311      -1.68252480      -3.16049004    
 H  -0.547380209      -1.65650058      -2.67949390    
 H   -1.60674334      -2.60897231      -3.30524611    
 O   0.306942433      -1.31674874      0.970319629    
 H  -0.619498610      -1.03473747      0.956164479    
 H   0.825703859     -0.498875678      0.962924480    
 O    2.30400944      -3.62211275      -2.88862705    
 H    2.10439610      -3.17820120      -3.73473358    
 H    3.20470715      -3.92812347      -2.94520688    
 O   -2.10065842      -4.41725874      -3.40845084    
 H   -2.86486244      -4.33084345      -2.82382488    
 H   -1.34812665      -4.71740818      -2.87693548    
 O   -2.30140495     -0.320216715      0.857102156    
 H   -2.65115976     -0.267156899      -4.74021994E-02
 H   -2.05326056      0.583092511       1.08601558    
 O    1.61238849      0.690151095      -5.07297230    
 H   0.657470942      0.544875681      -5.19730711    
 H    1.91441274       1.17949164      -5.83418798    
 O   -4.32852077      -3.76310778      -1.84381628    
 H   -3.85223389      -3.46494699      -1.04917765    
 H   -5.04260397      -4.31636429      -1.53661501    
 O    3.95517983E-02  -4.97925234      -1.83653128    
 H   -1.02843298E-02  -4.68183279     -0.920523524    
 H   0.854002178      -4.61193943      -2.20297670    
 O   -3.07952976      -8.69589895E-02  -1.74486840    
 H   -3.83533287      0.141456693      -2.29796529    
 H   -2.53796625     -0.715252399      -2.24733901    
 O  -0.607250333      -2.29285026      -6.63814878    
 H  -0.829540431      -1.38934314      -6.37439775    
 H   -1.40679383      -2.80644059      -6.47868204    
 O   0.950264454      -1.48944092      -1.72807848    
 H    1.51756644      -2.22290206      -1.99518478    
 H   0.780080259      -1.54261112     -0.779572189    
 O  -0.237950772      -4.00090313      0.857853293    
 H    5.75280599E-02  -3.08522916      0.992867708    
 H    2.35320106E-02  -4.48869467       1.63565719    
          69
 Energy    -248.56030076978226     
  O     12.50825783     12.50619407    -13.23001140
  H     12.28495204     13.42007677    -13.07052641
  H     16.34481718      6.15733144    -13.92303364
  O     19.16359776      9.40566827    -11.80713217
  H     13.33451442     12.50631013    -13.74145830
  H     18.24099348     11.74889286    -16.41180293
  O     15.56645776     10.13404458    -11.28602162
  H     19.12502837      9.50092544    -12.77123014
  H     19.50440064     12.64315158    -16.35069212
  O     11.05249412     10.72791765    -15.00826222
  H     18.80300560     10.22673589    -11.45632306
  H     13.28707378      9.24774335    -16.49126177
  O     13.98803244      8.21993140    -15.04922041
  H     15.75791624      9.20426706    -11.09341893
  H     12.15356772     10.28459876    -16.40192236
  O     14.57101082      6.18329852    -13.27806218
  H     16.33874771     10.67507235    -11.08311221
  H     16.86926894      9.86178946    -14.17207301
  O     18.42066336      6.83222203    -11.56723007
  H     11.09591883      9.91801444    -14.48174270
  H     15.79037660      9.96396199    -13.05976556
  O     14.84150480     12.36235900    -14.69457701
  H     11.43813024     11.41076248    -14.44762460
  H     13.96312856     11.21816209    -17.34542366
  O     17.69338040      7.97251581    -16.36887151
  H     13.20212043      8.39934833    -14.51011455
  H     14.33606009     12.43942246    -18.22138228
  O     15.73927984      7.39906709    -11.02190308
  H     14.69042144      8.81210257    -14.74226523
  H     12.87530805      8.66209053    -10.37670087
  O     17.17203504     10.72419498    -17.30963275
  H     14.37654477      6.82268443    -13.98056893
  H     14.00760051      7.62424556    -10.21027495
  O     17.24054720      6.40999061    -14.18029500
  H     13.72042158      5.94229813    -12.89334427
  H     18.92438184     10.59142091    -14.92062171
  O     18.84745515     12.21614366    -15.80784345
  H     19.11535062      6.31550647    -11.16852277
  H     18.56287165      9.10179883    -15.19909762
  O     12.87483190      9.97687666    -16.97055487
  H     18.73667574      7.75351981    -11.59951200
  H     17.92729183     12.86119328    -14.27392895
  O     15.92028017      9.92262632    -14.01725087
  H     15.20853479     11.49089165    -14.47785862
  H     16.45153671     12.98404579    -13.87545712
  O     14.61913100     11.93021044    -17.46727700
  H     14.74310168     12.37453353    -15.65464459
  H     18.03519232     12.49039703    -10.48481523
  O     13.05438196      7.75110723    -10.11289505
  H     18.01056977      7.39995850    -17.06308021
  H     17.65866612     12.27901422    -11.96910572
  O     18.75396849      9.73984552    -14.49880206
  H     17.47050913      7.38992092    -15.62077699
  H     12.62345922     11.11080017    -11.95467138
  O     17.34835269     13.03750119    -13.52206625
  H     16.66825568      7.13897355    -11.05451508
  H     13.80157487     10.31376536    -11.35860829
  O     17.79349401     11.82155457    -11.12004064
  H     15.32828070      7.00721667    -11.80627464
  H     11.70647265      7.67608852    -12.97414386
  O     12.83785971     10.30797313    -11.46360822
  H     17.12465991      9.79355531    -17.06628008
  H     12.13807345      9.13469410    -12.66787351
  O     11.79237731      8.55398046    -13.36207746
  H     16.26873584     11.05038334    -17.41091159
  H     11.41730640      5.42714784    -11.64500644
  O     12.03270566      6.06822348    -11.98964995
  H     17.72605457      6.52069617    -13.35468444
  H     12.33375270      6.60631172    -11.23519045
          69
 Energy    -248.55996948604781     
  O     -2.45991038      1.31047258      3.40065407
  H     -2.60489222      1.36150937      4.35602886
  H     -5.01259582     -1.25134794      4.34203244
  O     -1.39304901      3.86736043      6.52210181
  H     -2.62046818      0.40006883      3.12131192
  H     -2.64680613     -3.47763687      7.20716972
  O      0.96256161     -1.27327999      1.82979957
  H     -1.56027783      4.67844994      6.99434114
  H     -2.06348894     -2.74748035      5.97626776
  O      3.48865729     -0.20991972      2.36461527
  H     -1.10873625      4.11861175      5.62484738
  H     -0.15646202     -0.60344858      6.82152438
  O     -1.26923428     -0.64428996      0.26173922
  H      0.76948632     -0.57353847      2.47250712
  H     -1.46800058     -1.12524499      7.43604992
  O     -2.59774937     -1.34737499      2.57441559
  H      0.32237008     -1.14700469      1.11955161
  H      0.04164504      2.73263306      7.14957621
  O     -1.96859830      3.40889996      1.74393221
  H      2.72936850     -0.73169724      2.07185882
  H      0.18200000      1.28215419      7.63382580
  O     -0.57499299      4.46007567      4.02208042
  H      3.36611091      0.65043329      1.94565102
  H     -3.93109874     -1.41356758      6.31650974
  O      1.78840046      3.12366185      3.60239268
  H     -1.78886623     -0.91047916      1.03955144
  H     -4.04103180      0.10153884      6.06733997
  O      2.68891661      2.22630543      1.09081010
  H     -1.68633747     -1.04799907     -0.49531762
  H     -0.65031264      1.01291348      3.54798549
  O     -1.02616969     -2.72123688      4.51451370
  H     -2.07080499     -1.82315792      3.22878694
  H      0.79421479      1.58481874      3.63085446
  O     -5.15844841     -1.56876320      3.43365069
  H     -3.53260898     -1.50359337      2.78012471
  H      1.24097335     -4.46721586      2.39082975
  O     -2.54541869     -2.61609586      6.81041469
  H     -2.23190760      2.67038449      2.32125195
  H      0.74098206     -3.01556568      2.29410023
  O     -0.89275589     -0.35257279      7.40079971
  H     -2.77145709      3.76833541      1.37472795
  H      3.25219587      1.14121510      5.65871871
  O      0.69102712      2.07000950      7.41423924
  H     -1.06381016      4.25331344      3.21872304
  H      2.22931929      2.03023725      6.42059050
  O     -4.50960594     -0.73397392      5.94783702
  H      0.31447771      4.09916353      3.88841030
  H      3.68569480     -0.48820042      4.09297614
  O      0.27876442      0.76840628      3.62468207
  H      2.25394007      2.92499417      2.78259358
  H      4.56707477     -1.00097033      5.25466697
  O      0.48840000     -3.91075430      2.57401708
  H      2.32105463      2.82228415      4.35648805
  H     -0.39415150      1.09321008      0.27386264
  O      2.96044705      2.04986235      5.78428825
  H      1.76608018      2.10168702      0.80588719
  H     -0.58058321      2.53047425      0.78588866
  O      3.70052150     -0.65933227      5.05136072
  H      3.12634710      2.70593759      0.39208777
  H     -2.35443549      2.31260100      6.32486865
  O      0.05953206      1.93788041      0.37196932
  H     -0.31199550     -2.17485744      4.87504818
  H     -2.04351718      0.81886768      6.58058429
  O     -2.66800197      1.41661736      6.14538811
  H     -0.60007336     -3.32000338      3.88510450
  H      1.92859436     -1.08290878      5.47482476
  O      0.96573977     -1.05608683      5.49901840
  H     -6.09592496     -1.71659371      3.35130971
  H      0.71001874     -0.32914920      4.90756054
          69
 Energy    -248.55993291778839     
  O     14.92054820     10.12731542     -9.45873365
  H     15.56762309      9.89124261    -10.14017395
  H     10.93036042      9.35524889    -10.79013851
  O     16.71036879     13.59637701    -13.12545912
  H     15.07605049     11.05517542     -9.24215934
  H     15.86807217      5.95367965    -11.22940588
  O     11.37113145     10.63191478    -15.05826972
  H     17.37134994     14.22005849    -13.41251056
  H     14.43084030      5.50263545    -10.86341609
  O      9.85378200      8.62590146    -13.66669881
  H     17.11192796     13.06876817    -12.41197207
  H     12.42310164      5.89318642     -9.98027649
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  H     11.93694981      9.91740029    -15.40059148
  H     12.93162478      4.91393119     -8.89999016
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  H     11.03818167     11.10105223    -15.81959400
  H     15.08053148     13.82319431    -12.14968499
  O     15.44114163     12.85608596     -9.24756430
  H      9.78945416      8.83611732    -12.72679783
  H     13.68886773     13.16793577    -12.02938589
  O     16.90666592      9.39892357    -11.31565330
  H     10.24551318      9.39541319    -14.09785720
  H     17.95809881      6.43416414     -9.75334985
  O     14.21996758      5.25951820    -14.31559006
  H     12.68109930     11.16075854    -12.20878249
  H     16.54418441      7.02488375     -9.51571341
  O     17.59484635     12.11768010    -11.02291332
  H     12.21534184     11.48082107    -13.65137281
  H     10.63923658      7.16517900    -10.87982796
  O     13.82418759      8.00945185    -12.50947887
  H     15.74356738     12.30723064    -14.09348395
  H     11.23797223      6.25132138    -11.96384475
  O     10.03705862      8.97163930    -10.83462196
  H     14.33863580     11.69262315    -13.93482697
  H     15.01128338      6.45673102    -15.35374883
  O     15.03038452      5.65586695    -11.60654550
  H     14.98030465     13.19821087    -10.03535614
  H     15.81476585      6.80834290    -16.62735122
  O     13.20599444      5.63277337     -9.46402024
  H     15.40649971     13.54277076     -8.58762691
  H     12.35736705      7.74388389    -15.37600429
  O     14.32328864     13.72393014    -11.55842784
  H     16.64696103      9.28677461    -12.24173787
  H     13.68559229      8.15599185    -16.01735025
  O     17.20252753      6.80488674    -10.20122157
  H     17.14933096      8.52699318    -10.98338730
  H     12.48379815      7.20325493    -13.38782754
  O     11.10301561      6.32918549    -11.01283905
  H     13.28835372      5.49744493    -14.22977546
  H     10.99434148      7.27010633    -13.83288232
  O     15.36836271      7.19470262    -15.87860830
  H     14.57002011      5.23730599    -13.41490426
  H     14.41643574      6.96145652     -8.76447399
  O     12.77556145      8.44522275    -15.88953257
  H     17.49086610     11.16201823    -11.12549062
  H     14.98695823      8.40962994     -8.70265693
  O     11.77521975      6.69367832    -13.81627853
  H     16.99722816     12.37667853    -10.31098181
  H     15.90138667      8.48244774    -14.64092553
  O     15.19326785      7.48175448     -8.52601603
  H     14.49651657      8.45730264    -13.03999140
  H     15.71075187      9.97515671    -14.18159194
  O     15.95519768      9.08217145    -13.88822489
  H     14.24604624      7.22346194    -12.13924998
  H     12.96968738      9.14659029    -11.50385087
  O     12.61078180      9.83795691    -10.92469731
  H      9.50171765      9.43954973    -10.19940450
  H     13.31500139     10.02758064    -10.29181199
          69
 Energy    -248.55989731255045     
  O     16.29604076      5.11241233    -13.22203606
  H     15.67864802      5.08004757    -12.48104165
  H     15.66987939     10.22190153    -16.68445594
  O     14.60976125     11.45892647    -12.41502100
  H     17.20021078      5.11845357    -12.88248997
  H     15.33574923      8.14902827    -13.32483840
  O     16.81292117     11.84074599    -14.15338109
  H     13.77482263     11.60838886    -12.88005323
  H     16.17413128      6.88862600    -13.68546653
  O     11.87361734      8.63883940    -13.76746543
  H     15.32498187     11.65085171    -13.03631544
  H     14.89125075      6.76627584    -10.36766814
  O     18.01560011      7.20344070    -10.51064061
  H     17.40367602     12.59044661    -14.17100015
  H     16.28173336      7.42096095    -10.22069310
  O     12.47175881      5.86702920    -13.34892095
  H     17.36663392     11.05186410    -14.03249162
  H     19.14681847      6.05890148    -13.36868995
  O     12.79601206     10.91635345    -16.41412091
  H     11.66789803      9.57807661    -13.80209818
  H     19.73311295      4.91183097    -12.51084154
  O     15.71279036      4.74630127    -15.91706148
  H     12.65666787      8.59405983    -13.19286522
  H     13.81050413      4.52562872    -10.84682404
  O     15.56322384      8.36251142    -16.49422207
  H     18.41247586      6.63296670    -11.17907415
  H     13.55743197      5.49267454    -12.02367397
  O     13.05264098      5.22447267    -16.07782498
  H     18.40603621      8.07756541    -10.62870556
  H     18.47991954      9.64778916    -12.72858079
  O     17.59293778      6.62919492    -17.03713887
  H     12.05400048      6.73185085    -13.43679137
  H     17.47198414      8.90335911    -13.66119380
  O     15.54059105     11.17987617    -16.65125464
  H     12.65634488      5.57381112    -14.24984852
  H     18.75646965      6.93353752    -15.54723741
  O     16.07226594      7.83080185    -13.86393244
  H     12.68905557      9.98037770    -16.61609832
  H     19.08206628      8.01825576    -14.49246974
  O     15.33044937      7.59179186    -10.12781515
  H     13.73068073     11.11848352    -16.57267359
  H     17.82955350     10.17889181    -10.63628206
  O     18.99249051      5.50823031    -12.58018203
  H     15.93456286      4.74929087    -14.97504533
  H     19.33785176     10.42739784    -10.39109510
  O     14.19461655      5.25608698    -11.32565192
  H     16.38982638      5.27607866    -16.35206667
  H     12.46546391      8.24202756    -15.47300853
  O     18.21858358      9.52436989    -13.65105383
  H     15.75795470      8.20209108    -15.55765226
  H     12.80951298      7.05996865    -16.39813106
  O     19.27576720      7.10888865    -14.75277157
  H     14.60670827      8.25643677    -16.57903936
  H     15.75550703      9.57363082     -9.99224547
  O     18.72570913      9.93581730    -10.93189386
  H     12.64546551      4.50905472    -16.55930189
  H     15.57641445     10.88355157    -10.80748022
  O     12.79802655      8.02448700    -16.35609747
  H     14.00914846      5.04314381    -16.06393779
  H     12.39286973     11.38586339    -14.80343499
  O     16.16148428     10.42571156    -10.19159746
  H     16.87950971      7.28725007    -16.96750289
  H     11.49013068     12.22242048    -13.86875124
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  H     17.89953933      6.65334996    -17.94042542
  H     14.48099878      8.39001604    -11.44980636
  O     14.09548516      8.77242783    -12.24934334
  H     15.97596648     11.47267833    -15.84313614
  H     14.28636141      9.72091559    -12.26148317
          69
 Energy    -248.55974763539609     
  O     -3.49219212      0.03362561      3.05525673
  H     -2.64040444     -0.19768124      2.66151738
  H     -4.12973332      1.84433395     -1.91813206
  O     -1.11669713     -0.55444405      1.76121311
  H     -3.49317322      0.98906681      3.20112176
  H     -7.12216056      3.20561862      0.31125171
  O     -4.74282570     -1.24662810     -2.58769534
  H     -0.47187873     -0.02042076      2.23915380
  H     -8.10377545      4.29742387      0.78775620
  O     -2.04912899     -2.02907913     -1.95920193
  H     -1.15255651     -0.19499034      0.86238431
  H     -1.03686731      3.17091484      0.69022259
  O     -4.81049263      0.24267755      0.61103357
  H     -5.23156429     -1.66883632     -1.86649147
  H     -0.38610431      1.95338300     -0.00419331
  O     -6.32548755      2.46173867      3.11359768
  H     -3.81827169     -1.48564610     -2.45616371
  H     -3.08768592      3.16606709     -0.00401131
  O     -8.12949963     -0.69133659      0.62615848
  H     -2.17820309     -2.39213550     -1.06384861
  H     -3.43603728      4.50592816      0.69264472
  O     -3.53595686      2.79769353      3.23196834
  H     -1.58680957     -2.69639280     -2.45975303
  H     -5.02303622      6.35909196      1.33943855
  O     -5.61718847      1.27378317     -2.98836424
  H     -5.11300929     -0.62789769      0.32226295
  H     -5.69032394      5.09950498      0.76771129
  O     -5.97097303     -2.15541941     -0.26956402
  H     -4.43042292      0.15036543      1.49165812
  H     -4.72679517     -1.17595057      3.56045988
  O     -4.80057803     -3.66438375      1.79521561
  H     -5.38192995      2.63191196      3.23561019
  H     -6.26325619     -1.23698838      3.54344432
  O     -3.53208985      1.85355751     -1.16362684
  H     -6.62355353      3.06571245      2.42513773
  H     -1.05513480      2.31696396      5.60276263
  O     -7.19365928      4.01631506      0.84419326
  H     -7.96108287      0.13098499      0.15042464
  H     -0.56282924      2.22741679      4.15061033
  O     -0.22335605      2.65023582      0.64419755
  H     -8.01483559     -0.47518725      1.56113362
  H      1.52405835      1.42730271      2.95140054
  O     -2.81540119      3.76447851      0.70636918
  H     -3.26813243      3.13873135      2.36750936
  H      0.33292201      1.94223073      2.10866102
  O     -4.86961679      5.61381416      0.76257133
  H     -2.77043397      2.86972252      3.81906309
  H     -7.13339223      0.92052544      3.26659471
  O     -5.47530899     -1.78980609      3.60014857
  H     -5.81746334      1.41163848     -3.90958411
  H     -8.26597906      0.17820898      4.00787432
  O     -1.21761835      2.65271245      4.72394640
  H     -5.32026269      0.34838057     -2.90048990
  H     -3.12710570     -3.14561964      1.05741447
  O      0.57140557      1.44204479      2.91198491
  H     -5.65547828     -2.78501278      0.38954236
  H     -1.89141288     -2.20597177      1.15959806
  O     -7.61047507      0.07377355      3.32260488
  H     -6.81285069     -1.78572934      0.03810742
  H     -1.97202749      0.97613431     -1.06566408
  O     -2.32814541     -2.85974095      0.59948942
  H     -5.06498377     -3.03496591      2.49076641
  H     -1.33601214     -0.39524904     -1.34450774
  O     -1.18871814      0.43728623     -0.87936019
  H     -4.96521263     -4.53869811      2.13749222
  H     -6.23309993      1.21716668      0.03312129
  O     -6.91351783      1.66097701     -0.49770516
  H     -3.92732600      1.25022956     -0.51186163
  H     -6.61636366      1.59175263     -1.41357327
          69
 Energy    -248.55970093803964     
  O     -8.95361860     -2.31805799      6.07405325
  H     -9.63047960     -1.63502341      6.00059399
  H     -4.76758696     -3.08108325      0.31694173
  O     -9.34076398     -2.99033999      1.74956020
  H     -8.23255227     -1.94151258      6.59331570
  H     -2.51023711      0.85727001      4.15640213
  O     -8.26729681     -4.11953493      4.16815976
  H     -9.81124471     -2.23305236      2.12847368
  H     -3.69316595      0.45905239      3.25188710
  O     -4.23516493      0.19431825      1.54064671
  H     -9.02681829     -3.49470076      2.50769065
  H     -7.08811075     -1.05563227      3.54086345
  O     -7.32289938      1.11410942      5.94428328
  H     -8.55985670     -3.49371637      4.85585021
  H     -8.52418406     -0.45905124      3.36112468
  O     -4.48675616      4.70787337      1.17877037
  H     -8.43845203     -4.99469905      4.50484672
  H     -5.95936401     -1.28776556      6.86636017
  O     -8.36871340      0.93960077     -0.41027891
  H     -4.41721520     -0.71542540      1.27716088
  H     -6.41796325     -1.33903043      8.34428457
  O    -10.95833425     -0.28235569      5.69486084
  H     -5.08752129      0.65907556      1.53493105
  H     -9.66259649      4.61446227      3.06235533
  O     -4.71904581     -1.42822674      5.67076553
  H     -7.14116142      0.43824722      6.60687509
  H     -8.31531638      3.86672760      3.02913288
  O     -3.01040017      2.45115026      0.45716920
  H     -7.41307581      0.64525350      5.09932760
  H     -9.98238529      2.34114883      2.02565411
  O    -10.29782064     -0.72085713      3.00181395
  H     -3.87682058      5.44114219      1.21410071
  H     -9.77792041      1.41274939      0.80170043
  O     -5.12493033     -2.38561887      0.86164180
  H     -3.95891218      3.93729863      0.91697135
  H     -5.72979923     -2.64241558      2.61530649
  O     -3.44382114      0.65704731      4.16827089
  H     -7.70319986      1.17328737      0.26027371
  H     -6.74089172     -3.22903526      3.66740574
  O     -7.60082758     -0.23793745      3.54299299
  H     -8.14969234      1.43147091     -1.19796965
  H     -8.23273398     -2.26093763      0.55836692
  O     -6.72538539     -1.17016321      7.45813369
  H    -11.79556326     -0.22654717      6.14748948
  H     -7.94284683     -0.94595349     -0.21743009
  O     -9.27513483      3.74320877      3.11197845
  H    -10.60765562      0.62501850      5.64215990
  H     -8.93952919      1.91924711      5.75918908
  O    -10.35675908      1.58696720      1.55407309
  H     -4.24057889     -0.69726662      5.26383044
  H     -9.71226240      2.71663326      4.69066201
  O     -6.04086601     -2.57752640      3.52590216
  H     -5.10896371     -1.92483132      4.93664894
  H     -4.61776930      2.07670772      4.70406322
  O     -7.57727461     -1.80747521      0.00542069
  H     -2.52212435      2.22548529     -0.33139217
  H     -5.97837369      2.23319413      5.40623196
  O     -9.83105445      2.16934505      5.47430308
  H     -3.36871008      1.61576645      0.79343081
  H     -6.60364810      2.33876900      2.01738749
  O     -5.29374210      2.72494937      4.93108643
  H    -10.67263381     -0.60232469      3.88179019
  H     -7.02586784      0.86590285      2.32303247
  O     -6.65246489      1.45015733      1.64395128
  H    -10.43851414      0.09597925      2.49842991
  H     -6.08502172      3.59599572      3.63492649
  O     -6.54378988      3.93816042      2.85007092
  H     -6.00726376     -2.17063874      0.50179655
  H     -5.87496374      4.31999449      2.26547062
          69
 Energy    -248.55967015793055     
  O     11.90844099      4.58727183    -14.09745026
  H     11.31397112      4.22163218    -14.74824861
  H     16.33535498      5.71322664    -13.39517543
  O     16.94825530      6.89424223    -12.16305734
  H     12.43979562      5.25952918    -14.55376999
  H     19.32508354      8.93405593    -12.51529243
  O     16.29202666     10.83219041    -11.48554076
  H     17.88295047      7.13786615    -12.20007625
  H     19.52543231      7.82825114    -13.56467763
  O     18.51863904     10.34481036    -15.32144940
  H     16.47575024      7.60272876    -12.62961217
  H     15.00586021     10.72049850    -15.44113113
  O     14.24323894      3.43178791    -12.86025393
  H     15.59592387     11.49609271    -11.57411602
  H     15.44977132      9.53208873    -16.35697669
  O     13.05988042     10.38570179    -10.08394393
  H     16.07335514     10.13594276    -12.12597800
  H     14.66975874      8.85136925    -13.35578744
  O     15.06795410      6.90354124    -10.17554066
  H     17.58552515     10.43654079    -15.56001126
  H     15.86195158      9.33893250    -14.19904353
  O     13.57254433     11.27898903    -14.48465584
  H     18.60659697     10.62669108    -14.40341067
  H     11.48006178      5.07752512    -12.30011855
  O     17.09320240      6.51523799    -16.29205201
  H     14.15942870      3.67445040    -11.92975206
  H     12.14506518      4.90190764    -10.92048694
  O     15.64345091      9.48296044     -9.13699373
  H     13.39926324      3.65968240    -13.26905796
  H     14.31804076      5.25548269    -10.10462644
  O     19.47768986      7.82061953    -15.47264100
  H     12.67958371      9.55603271    -10.40343513
  H     14.01917013      3.93213385     -9.36912742
  O     15.89902223      5.22832502    -14.10870413
  H     13.83486860     10.12641295     -9.57251653
  H     19.41201682     11.53514363    -12.14467728
  O     19.42311623      7.98001379    -12.61576107
  H     15.76888387      6.81435789    -10.83977807
  H     17.99545409     10.92396798    -12.08269416
  O     15.77454391     10.24637001    -15.79466748
  H     15.26955296      7.70464579     -9.67806367
  H     13.56791069     13.16187163    -11.55339277
  O     15.63133130      8.94760421    -13.34696474
  H     13.15908275     10.43105499    -14.26735426
  H     13.52433683     11.65711243    -11.20053079
  O     11.41563480      5.34323469    -11.37423053
  H     13.69054927     11.72530053    -13.63892095
  H     13.94985748      6.94940077    -15.94529962
  O     13.86549335      4.40064737    -10.18621752
  H     17.93103291      6.89799078    -16.00598331
  H     14.42591897      6.06295306    -14.77000134
  O     18.86503889     10.84048196    -12.50433088
  H     16.78495496      5.94281103    -15.57636929
  H     13.40324558      7.51778433    -10.79349104
  O     13.94237203     12.31575207    -11.78439732
  H     16.18556926      9.76163390     -8.40279837
  H     11.97600611      7.02882216    -11.13237796
  O     13.63986031      6.46567889    -15.17015392
  H     15.96828168      9.95631051     -9.92040061
  H     13.02519904      7.89213625    -14.18759892
  O     12.52609378      7.82216748    -11.06060571
  H     20.27173646      7.79322832    -16.00052656
  H     12.64073992      8.39261832    -12.76074680
  O     12.88584165      8.68309723    -13.65011434
  H     19.15946864      8.74162657    -15.49101345
  H     15.78696097      7.40789015    -16.94240436
  O     14.98760767      7.90442554    -17.20343738
  H     15.42907441      4.48567700    -13.70348079
  H     14.91124618      7.82768641    -18.15079654
          69
 Energy    -248.55928078119985     
  O     -3.38775733      3.83789385     -2.92015568
  H     -2.62821329      3.94413304     -2.32382829
  H     -3.61483320     -3.27569086      2.76987802
  O     -5.99619353      0.73609628     -0.08386477
  H     -3.37702564      4.58417211     -3.51466657
  H     -1.77931472      2.28349542      2.02905324
  O     -1.70277793     -1.76418335      0.20826399
  H     -5.05282151      0.51320418     -0.15742517
  H     -1.70371747      1.12642171      3.04848507
  O     -0.08194414      1.39518909     -1.69443870
  H     -6.04823154      1.66407314     -0.35651104
  H     -2.44361541      3.38686778      0.21843598
  O     -3.50007698      1.04923848     -3.19964118
  H     -0.94802880     -1.23385291      0.49833278
  H     -3.12717346      2.01809733      0.42108110
  O     -2.26038880     -2.34073583     -2.42379618
  H     -2.18405043     -2.07380929      0.98622067
  H      3.52712620      0.93833130      1.85508441
  O     -1.09987261     -0.29666201     -3.71555474
  H     -0.03847697      0.89339844     -0.86792931
  H      2.31216835      1.89802589      1.79823680
  O     -1.27426321      3.82775590     -1.14483552
  H     -0.36001951      0.79353236     -2.39428230
  H      1.10342116      3.81922346      1.74882122
  O      0.21571927      0.13313378      0.78916264
  H     -3.43642698      2.01239579     -3.22513341
  H      0.41351572      2.74121705      2.62182278
  O      2.32405863      2.72967776     -1.03929511
  H     -2.67832121      0.67592002     -3.54212945
  H     -5.12775862      0.18207872     -3.06643206
  O     -5.50604772     -2.04018509      0.54670506
  H     -3.19762681     -2.56632745     -2.40528746
  H     -6.17124914      0.07387009     -1.94037071
  O     -3.44754043     -2.48188628      2.26847512
  H     -1.98636204     -2.27435233     -1.49729040
  H     -3.77303356      0.53831594      3.34717424
  O     -1.16179802      1.76353472      2.55700987
  H     -1.49301574     -1.08260655     -3.29140454
  H     -3.12092050     -0.85125392      3.21613857
  O     -3.04678195      2.90962408      0.80278616
  H     -0.64593963     -0.60103576     -4.49639195
  H     -5.58164501     -3.48609020     -2.61573815
  O      2.77840806      1.18693984      1.32038864
  H     -0.55906105      4.33385949     -0.74030282
  H     -5.40731142     -1.95520769     -2.47392395
  O      1.26790236      3.15034156      2.42309265
  H     -0.90099996      2.96178377     -1.37328772
  H     -3.28926740      0.60702189     -1.41078429
  O     -5.90536406     -0.31782626     -2.78027122
  H      1.14971385      0.30765979      0.95458310
  H     -2.77381793     -0.31945529     -0.25588330
  O     -2.98230802      0.02981582      3.57964499
  H     -0.28160744      0.67701169      1.41859525
  H     -4.93536229      3.55368021     -1.64221419
  O     -5.06374431     -2.81660064     -2.17586536
  H      2.64430410      2.17192115     -0.31875960
  H     -4.71396643      3.39674760     -0.14699634
  O     -3.26962725      0.48317790     -0.45265066
  H      1.58904827      2.24406813     -1.43742418
  H     -5.56051296      1.31197210      1.81569090
  O     -5.40136499      3.35471130     -0.82324930
  H     -5.91919152     -1.17682575      0.43662229
  H     -4.42282059      2.28464128      2.12996381
  O     -5.02242834      1.65013134      2.53947228
  H     -5.35527200     -2.38185763     -0.34416102
  H      1.56977412      4.16273342     -0.35781383
  O      1.02931345      4.85145038      0.07082459
  H     -4.22738607     -2.33751127      1.70341880
  H      1.52724515      5.66348874      0.02271216
          69
 Energy    -248.55891218006974     
  O     -4.48185791     -1.04787047     -0.58915168
  H     -4.50947154     -1.95473993     -0.25974427
  H      1.17374731      0.01301705      2.57771409
  O     -1.99476693     -0.24076495      1.98759451
  H     -3.68645732     -0.97188980     -1.12898153
  H     -3.24001199     -2.67365829      5.56313867
  O     -5.12400798     -2.84967021      3.08370794
  H     -1.33625472      0.04689140      2.63315180
  H     -2.60710452     -3.86738283      4.81786096
  O      2.34772602     -2.23422044      4.16355161
  H     -1.89869671      0.32673320      1.21212510
  H     -3.47887250     -0.52053045      4.89375662
  O     -4.45041002     -3.61200351      0.60494653
  H     -4.62394377     -3.21454090      3.82809680
  H     -2.47511431      0.24555601      5.76608828
  O      0.81368062     -2.79509805      0.87086640
  H     -5.03308245     -1.89297267      3.15751170
  H     -1.23342760     -0.98511696     -1.92915056
  O     -4.44300590     -0.07419843      3.22647012
  H      1.57711338     -2.03603441      4.71131700
  H     -2.18831212     -0.58117910     -3.07423599
  O     -1.52328994      1.37991372     -0.23540103
  H      2.40199977     -1.52957749      3.50782461
  H      2.01837218      1.74039229     -0.50388710
  O      0.42833902     -1.32416773     -1.49803885
  H     -4.87498535     -4.42866140      0.35866077
  H      1.57746078      0.66397166      0.51343197
  O     -0.03936974      0.51346409      3.80295841
  H     -4.76121979     -3.38840360      1.50269588
  H     -4.00906773      1.77217892      3.74772407
  O     -1.86574984     -2.91901088      1.41285330
  H      1.20501978     -3.48713341      1.41564923
  H     -3.46346713      2.88399375      2.85472557
  O      1.79894377     -0.37808430      1.94850380
  H     -0.14614245     -2.87511877      0.98321101
  H      2.34383567     -5.25846907      3.02339956
  O     -3.43848792     -3.53396693      5.17897120
  H     -3.57364587     -0.14871860      2.79887860
  H      2.02652753     -3.79191231      3.40319535
  O     -2.82759025     -0.63790203      5.59624728
  H     -5.03280806      0.26078200      2.53665247
  H     -6.54359329      1.01854321      0.58630496
  O     -2.12043595     -0.63469641     -2.12397024
  H     -0.55889170      1.42266755     -0.25296761
  H     -5.25915728      0.19347112      0.32602947
  O      1.31203498      1.13448180     -0.29454056
  H     -1.78880560      0.79618410     -0.95804021
  H     -1.52750393      2.65472247      6.23666333
  O     -3.53401514      2.60977675      3.78049072
  H      0.82864966     -0.48703208     -1.23324630
  H     -2.30616792      2.32836479      4.93679577
  O      1.69612284     -4.56737436      2.91524647
  H      0.63988805     -1.94797900     -0.79132036
  H     -0.13053162     -4.45217268      3.53343177
  O     -5.65661540      0.87077951      0.90321999
  H     -0.05622662     -0.32179951      4.29630804
  H     -1.37126405     -3.73213120      2.95687130
  O     -1.64100721      1.98894807      5.56441107
  H     -0.46140290      1.16751977      4.37310614
  H     -0.50759657     -2.63410005      4.72538725
  O     -0.99259415     -4.09262060      3.77277345
  H     -2.70383590     -3.23805379      1.06001326
  H     -1.14958784     -1.45153943      5.47728991
  O     -0.29831822     -1.81783611      5.20203409
  H     -1.96953000     -1.97415880      1.60171919
  H     -2.84433719      2.51077085      0.52959477
  O     -3.57779423      2.89266784      1.02756320
  H      1.41665199     -1.20252933      1.61146588
  H     -4.32348984      2.29389051      0.89689642
          69
 Energy    -248.55883356985726     
  O     13.15288448     11.28087744    -10.68894896
  H     12.32660096     11.01143243    -10.26520751
  H     16.77240145     15.40153823    -17.56123802
  O     11.36228392     11.91501563    -15.55433458
  H     13.01284194     12.18358677    -11.00860281
  H     13.40712124     14.45812883    -11.11462287
  O     13.82861454      9.77984900    -12.93244951
  H     11.31269543     12.48827240    -16.32863005
  H     13.58736605     13.60034626    -12.38667583
  O     18.52923324     14.27438272    -12.81775544
  H     11.18164025     12.47922944    -14.78727916
  H     11.53451834     14.88964826    -14.51797992
  O     10.61823819     10.70183356     -9.76818692
  H     14.75109185      9.51548522    -12.83095851
  H     11.90327986     14.94974220    -16.00884077
  O     13.99491296     11.12893567    -15.34705519
  H     13.60276961     10.28648165    -12.13759327
  H     14.53461115     12.49173412    -14.22987623
  O     14.80140845     15.18843481    -10.07836719
  H     17.80638344     14.90577912    -12.64623211
  H     14.88235551     13.99357394    -13.97810350
  O     11.04915036      9.77740624    -13.73373095
  H     19.34176663     14.71690442    -12.58941735
  H     17.58813588     12.42083187    -15.40037677
  O     14.79468607     15.66048392    -14.64483234
  H     10.11627843     10.04765096     -9.28793759
  H     18.14175674     13.62438985    -14.58325965
  O     14.24580879     13.03334341    -17.55839019
  H     10.09704366     10.91548211    -10.55667330
  H     12.60619304     13.58781385    -17.65842164
  O     10.76460262     13.49653567    -13.33387248
  H     13.08093115     11.40179549    -15.51475354
  H     11.35173680     14.04968063    -18.44144433
  O     16.25627338     14.90671263    -16.93107933
  H     13.96120464     10.57916823    -14.54892254
  H     17.24015757      8.96056458    -12.23365015
  O     12.93953979     13.86547196    -11.71377929
  H     15.07823266     14.28373407     -9.84590876
  H     16.80521223     10.43690832    -12.39620497
  O     12.09732086     15.34846883    -15.15169005
  H     14.74908982     15.67902270     -9.26240914
  H     15.90608776     10.77379109    -15.52779131
  O     14.80429482     13.12622284    -13.55686168
  H     11.95488744      9.60392637    -13.45083427
  H     16.91078054     10.21675672    -14.51878791
  O     17.85406974     13.34945021    -15.46038257
  H     11.11194420     10.35623437    -14.50590271
  H     16.14949311     12.48629628    -12.56546239
  O     11.67038482     13.84493034    -17.56708695
  H     13.84214547     15.65246072    -14.82478113
  H     17.61460458     12.78869196    -12.19927267
  O     16.64629822      9.53100510    -12.71476586
  H     15.26000764     15.54194355    -15.48244339
  H      8.45698303     11.06248932    -12.50045516
  O     16.84832704     10.73836001    -15.32745782
  H     14.95993693     13.66244453    -17.39149674
  H      9.93182688     10.65339782    -12.72954806
  O     16.89725418     12.16455531    -12.03674292
  H     14.35586612     12.31584630    -16.92659082
  H     15.86154605     15.73306399    -11.58683186
  O      9.34966276     11.24471804    -12.21761032
  H     10.17798083     12.86750920    -12.89877844
  H     15.82802516     15.98496710    -13.11775758
  O     16.41772312     15.90551622    -12.35560387
  H     11.47494744     13.68349725    -12.70105953
  H     16.07560237     12.39636466    -10.38677397
  O     15.46184156     12.57698215     -9.66179753
  H     16.88118732     14.35219309    -16.42672657
  H     14.69486607     12.01457811     -9.83131947
          69
 Energy    -248.55881559354506     
  O     13.84586083      9.83348246    -15.41874490
  H     13.04392913      9.53314613    -14.94985727
  H     16.89276490      4.70289359    -14.03360328
  O     11.17379435      9.28805192    -11.39467880
  H     13.55636766     10.45184400    -16.08333628
  H     14.89202977      8.48041815    -12.56086458
  O     15.36828497      6.34371165    -10.19531759
  H     11.81212631      9.51350585    -10.70851962
  H     14.94800264      7.14611207    -11.76232841
  O     14.08422990      2.37218656     -9.48064488
  H     10.87959368      8.39130159    -11.18763944
  H     11.76859852      7.94475697    -14.00626581
  O     13.08816658      9.69705574     -9.26611115
  H     15.53991981      5.45855052    -10.54528882
  H     11.51656276      9.20700243    -13.18105965
  O     15.52679164      3.85250870    -11.36051195
  H     16.20401968      6.79532123    -10.02435211
  H     17.94314514      7.76019147    -10.87876487
  O     12.14895756      2.44453477    -11.61354133
  H     14.27205755      1.68582337     -8.84645995
  H     18.33912940      8.06784014     -9.41320563
  O     15.58782342     10.20354086    -13.18652941
  H     13.52981830      3.03161493     -9.02554539
  H     18.20089397      9.12244741    -15.41595652
  O     12.39284304      4.19523868     -8.39383443
  H     12.96440533     10.41459799     -8.64993967
  H     16.94602733      8.33076692    -14.97930382
  O     10.23548904      3.82266461    -10.25555677
  H     13.96974325      9.81840249     -9.65997735
  H     12.95435796      7.85899814     -8.93789150
  O     10.88543494      6.50222164    -10.79901758
  H     14.87404467      3.88915404    -12.07554314
  H     13.83105152      6.66904396     -9.38186459
  O     17.40975271      4.81519284    -13.22894415
  H     15.15809801      3.27225965    -10.68270566
  H     16.27321538      9.37916696    -10.23403199
  O     14.67995107      7.54131575    -12.60090836
  H     12.62005209      2.84420253    -12.35598683
  H     15.60725795     10.25671227    -11.32395462
  O     11.73778082      8.90628111    -14.07501580
  H     12.81666786      2.26601485    -10.93983936
  H     18.12491117      6.38202271    -12.71646358
  O     17.59314659      8.01135602    -10.00363823
  H     14.94083254     10.24683939    -13.90248545
  H     18.27957012      7.84648998    -13.19040596
  O     17.66558303      8.89807600    -14.65865431
  H     16.40957476      9.90640152    -13.59743908
  H     13.08384963      6.79270933    -12.96052524
  O     12.97395053      6.89559154     -8.98947212
  H     12.58966820      5.14033273     -8.43073245
  H     11.72747121      6.30774486    -12.39395547
  O     15.54302416      9.98789481    -10.39824355
  H     11.57186457      4.07489558     -8.88726673
  H     15.18329466      7.34310521    -14.29286680
  O     18.41444686      7.26365860    -12.43632543
  H      9.42862384      3.31664569    -10.21579401
  H     14.80991846      8.19780779    -15.51728907
  O     12.29146668      6.27803144    -13.17938635
  H     10.85894046      3.31468359    -10.80494598
  H     15.70966584      4.39340706    -16.36919084
  O     15.35507819      7.44884485    -15.24403118
  H     11.60577304      6.62196876    -10.16217419
  H     15.46817526      5.66726473    -15.52802806
  O     15.56339477      4.70219431    -15.47824890
  H     10.51315490      5.62873970    -10.62817008
  H     14.26546035      4.06601503    -14.22437032
  O     13.68427059      3.93806286    -13.46668642
  H     16.89901802      4.38425940    -12.53084173
  H     13.12488975      4.72871598    -13.41110657
          69
 Energy    -248.55874150192346     
  O     14.26081340      6.45906808    -14.15576969
  H     14.43195537      6.60628691    -15.09791264
  H     18.13157846      4.76287901    -11.76581066
  O     15.74084073      6.49976819     -9.81330537
  H     13.50616881      7.00086905    -13.88795748
  H     18.15118662     10.55825257    -14.15891306
  O     18.74576646      8.09698758    -12.50332274
  H     15.53414730      5.98577665    -10.60867835
  H     17.88623299     11.12685946    -12.75475025
  O     14.64339790     10.00146522    -16.87504315
  H     15.01548592      6.34797151     -9.19548195
  H     15.50335070      7.66837631    -13.65055275
  O     11.63912351      7.83075939     -9.49473069
  H     17.80815531      8.02432027    -12.73738745
  H     16.37331851      8.88744467    -14.08812427
  O     12.24101691      8.09835069    -13.14329350
  H     18.96076073      9.01884108    -12.69265441
  H     14.83923010     11.93780958    -12.20157999
  O     15.67938963      9.07203833    -10.77274143
  H     14.04654071     10.13019616    -16.11561682
  H     13.71823458     12.94096382    -12.54568731
  O     17.87194065      7.27259282    -16.63953434
  H     14.27084524     10.48937674    -17.60410422
  H     13.55772373      4.56613581    -11.23623556
  O     10.76469188      6.20578176    -11.70403610
  H     12.03129278      8.60438969     -9.92030216
  H     12.94584911      4.93735267     -9.87075302
  O     18.76934254      6.04950924    -14.41361510
  H     11.19546962      7.33862952    -10.19673476
  H     12.69679343      9.53871268    -14.26977248
  O     15.01586699      7.15770891    -16.68522987
  H     12.53022399      8.64340407    -12.39803270
  H     13.38844138     10.89524689    -13.99247645
  O     17.85388664      4.14844416    -12.47003688
  H     11.63065620      7.44832281    -12.77214372
  H     17.60258140      6.23750125    -10.15561269
  O     18.58084884     10.77087688    -13.31884614
  H     15.79468938      8.85261584    -11.71292756
  H     18.66013912      6.82143370    -11.12769251
  O     16.09688001      8.35793277    -13.33006581
  H     15.75351914      8.23630816    -10.29492297
  H     16.03446374      4.55660052    -12.27911808
  O     13.92704516     12.00961822    -12.52296083
  H     18.19002332      6.78087259    -15.86116236
  H     14.85682941      5.39837644    -12.85842667
  O     12.72495141      4.59668811    -10.74580322
  H     18.46926946      7.06657187    -17.35355498
  H     12.75303726      6.74349778     -8.69069530
  O     13.09356106     10.30800946    -14.69789145
  H     11.44462425      5.56940624    -11.41690139
  H     13.13878268      5.90512464     -7.44881055
  O     18.43182665      6.03777117    -10.60835767
  H      9.96497507      5.70757505    -11.84827214
  H     13.11468002     10.61943249    -11.43653775
  O     15.17228676      4.93405591    -12.06873759
  H     18.96643185      6.75552198    -13.78264143
  H     13.93150223      9.47011975    -10.82516146
  O     13.37575936      6.07324422     -8.35676422
  H     18.44280451      5.31295154    -13.88514064
  H     16.27687672     10.71326122    -11.06908263
  O     13.02561103      9.75910963    -11.01294286
  H     14.81512608      8.08732242    -16.84842405
  H     16.92521407     12.06925837    -10.71201024
  O     16.47139514     11.60329263    -11.41099390
  H     15.97759369      7.08718896    -16.73872906
  H     17.47333891      8.96331656    -15.95674303
  O     17.10263899      9.75473822    -15.54178434
  H     18.27822289      3.31375347    -12.28948827
  H     16.30671622      9.97556449    -16.04277518
          69
 Energy    -248.55871521478468     
  O     11.02479524      8.30538472    -13.93192234
  H     11.47006019      8.21726712    -14.78861590
  H     19.03743541     11.85997751    -13.93266469
  O     16.84080197      6.79430934    -14.37110063
  H     11.18487915      9.21119968    -13.64823532
  H     13.10415447     11.28231936    -16.32578847
  O     16.27541343      9.49661893    -10.74673903
  H     16.44901667      6.18096603    -13.73297437
  H     14.24150569     11.59499523    -15.34817080
  O     15.99438992     10.87660273    -15.25319818
  H     17.34900576      7.43846008    -13.86008685
  H     13.97399991      8.39705403    -15.02504129
  O     13.86548348      5.85021186    -16.89586404
  H     15.40613747      9.61541821    -11.15691237
  H     15.33181466      7.86822247    -14.44184744
  O     15.81288591      7.19322428     -9.33489596
  H     16.19917300      8.75049947    -10.13501769
  H     11.30270816      6.80373811    -13.12832249
  O     15.61819271      5.33020856    -12.39039474
  H     16.77025276     11.06533658    -14.71607391
  H     10.69700761      5.49800240    -12.56281274
  O     13.84225689      9.51825276    -12.01411643
  H     15.57963055     10.07462075    -14.89752819
  H     20.32360516      7.10586945    -10.98551374
  O     15.76720645      9.55246777    -17.73381456
  H     13.81410452      5.38852230    -16.04403034
  H     19.06659159      7.44749934    -11.80032562
  O     17.52393372      5.08789181    -10.32355099
  H     14.78830830      6.08813137    -17.03444466
  H     14.33809395      4.78380036    -13.70384280
  O     16.57989811      6.85612427    -17.09832812
  H     14.97523687      6.99581018     -9.77660113
  H     12.85330138      5.14206156    -13.85381581
  O     18.31721807     11.30514824    -13.64451870
  H     16.39828929      6.45452176     -9.53768911
  H     17.15789346     12.59758424    -10.53819688
  O     13.28445327     11.66676865    -15.45961650
  H     16.26428204      5.10886646    -11.70976364
  H     17.06850442     11.09619676    -10.86571658
  O     14.69347711      8.58915142    -14.40875595
  H     14.94831665      5.88423914    -11.96339625
  H     17.41616418      8.87675817    -12.01625397
  O     11.52215618      5.95376636    -12.70515359
  H     14.15029396      9.15753735    -12.86208834
  H     18.29506840      9.49834598    -13.12522606
  O     19.47991459      6.75566106    -11.26099177
  H     13.11365986     10.10729958    -12.23782562
  H     12.90153444     10.43696730    -18.84497768
  O     13.61334113      4.79988695    -14.33966715
  H     15.99613485     10.06442328    -16.94581588
  H     14.09429482      9.98892920    -17.96610718
  O     17.49685520     11.92846149    -11.12686239
  H     16.04862198      8.64552351    -17.56480676
  H     12.86120823      6.47856919    -11.55050293
  O     18.06535696      8.66235532    -12.70329653
  H     18.26541845      5.63310799    -10.63733878
  H     13.63062497      7.80368592    -11.36800447
  O     13.15057053     10.23184526    -17.94829556
  H     17.90265584      4.33653766     -9.87462746
  H     12.31777203     11.26298303    -14.04919414
  O     13.63920907      6.86648200    -11.12928016
  H     16.75457955      6.78293219    -16.14525250
  H     11.21829689     11.72652722    -13.06873317
  O     11.81595922     11.00744829    -13.25459001
  H     17.26400518      6.35780833    -17.53952215
  H     12.67468274      8.80354651    -16.86243798
  O     12.58539092      8.12290234    -16.18595552
  H     18.04799219     11.62452117    -12.76505895
  H     12.94636272      7.29345714    -16.53661983
          69
 Ord_Energy   -248.558533    
 O    5.41774654      -3.71411872       6.96603727    
 H    4.47325277      -3.53063679       6.86687279    
 H    5.53181219      -4.16370344       7.81639051    
 O    2.21484208      -2.15253353       9.05717278    
 H    2.53316307      -2.74523902       9.74833965    
 H    2.35033822      -2.58973956       8.20296764    
 O   0.855327785       2.15609360       8.17054939    
 H   0.237954661       2.67210531       8.68101215    
 H   0.589567959       1.22296190       8.26569366    
 O    5.07875252      -1.50639439       11.6059761    
 H    4.77711964     -0.881632149       10.9327469    
 H    5.96722937      -1.76809096       11.3321505    
 O    2.72216201      -4.22107744       3.97644973    
 H    2.62289095      -5.11425829       3.65849066    
 H    3.67581511      -4.02090216       3.95870924    
 O    5.70668316      -4.56076002       9.55984974    
 H    4.91011858      -4.37960815       10.0736866    
 H    6.37874746      -3.95838118       9.90184879    
 O    6.22284317     -0.974715531       3.27517080    
 H    5.32157803     -0.717612207       3.00751185    
 H    6.77289152     -0.901575327       2.49942756    
 O    1.46765852      -1.80478847       3.18189287    
 H   0.846760035      -1.58636677       3.88627958    
 H    1.81887364      -2.68086243       3.38763356    
 O    1.37988937       1.35055661       5.54399729    
 H    1.16186190       1.78152609       6.37965965    
 H    2.14118767      0.775653899       5.71997213    
 O    6.21834373      0.302402109       5.78565359    
 H    5.96187544       1.23015630       5.70144224    
 H    6.32686329      -6.96095303E-02   4.90018082    
 O  -0.264153540     -0.837854207       5.28698587    
 H   -1.15064967     -0.620975077       5.00463581    
 H   0.234248117      -2.71005998E-03   5.29486036    
 O    5.10443163       2.86564946       5.76854134    
 H    4.58437252       2.67629695       6.57172489    
 H    5.51199198       3.71739340       5.90245390    
 O    3.20790696       2.33966041       3.65397763    
 H    3.89595699       2.59532928       4.28069019    
 H    2.42741442       2.16893888       4.19865847    
 O    2.74845171      -3.01152039       6.51694441    
 H    2.57120013      -3.53060460       5.72432518    
 H    2.95540905      -2.11241150       6.21523619    
 O    3.66986680     -0.238620386       2.82608914    
 H    3.47591543      0.701638818       2.95930243    
 H    2.84036756     -0.736674666       2.77711344    
 O    3.48991990     -0.508225918       5.64455223    
 H    4.37797260     -0.233824566       5.89901829    
 H    3.48415160     -0.510436237       4.67711210    
 O    5.35706711      -3.59010625       4.15932798    
 H    5.72897243      -2.74756694       3.87714672    
 H    5.56455994      -3.68753624       5.09916353    
 O    6.49905682      -1.36682558       7.92858553    
 H    6.16201258      -2.19116282       7.54658318    
 H    6.55953169     -0.724916220       7.20836926    
 O    7.45441294      -2.37536740       10.2941685    
 H    7.22395134      -1.95267081       9.44883251    
 H    8.40091324      -2.30529380       10.3866930    
 O    3.46144342      -3.63659072       11.1057940    
 H    4.01212835      -2.88372207       11.3874578    
 H    3.10601497      -4.03034878       11.8982201    
 O    4.26438093     -0.222798765       9.20928097    
 H    3.52137017     -0.834230423       9.11253929    
 H    5.02665424     -0.626859486       8.77291107    
 O    3.69971299       2.21366882       7.98247337    
 H    2.74961615       2.30940533       8.11260509    
 H    3.94723940       1.41210437       8.46424866    
 O   0.173178852     -0.466441840       8.17988873    
 H   -9.05552972E-03 -0.785222888       7.28934860    
 H   0.811140835      -1.08009589       8.56958771    
          69
 Ord_Energy   -248.558411    
 O  -0.720562220       2.90661955     -0.674671590    
 H   -1.30948448       3.02358055      -1.42939150    
 H   -1.25436568       3.13241267      0.102980793    
 O    2.13819146       5.87000942       2.19863749    
 H    3.07857585       5.95703888       2.07058787    
 H    1.77118897       5.52136850       1.36554670    
 O   -2.73222947       3.57180452      -2.53597546    
 H   -2.75093174       4.49594688      -2.22354245    
 H   -2.77881265       3.60252142      -3.48771858    
 O   0.509050727       4.76538229       4.16985369    
 H  -0.252481937       5.35776997       4.10049343    
 H    1.18084753       5.11424255       3.57037139    
 O   -4.28387356       1.44777048       1.28896952    
 H   -4.81769943       1.47949076       2.09254432    
 H   -3.75328279      0.640471339       1.32927263    
 O   -3.50284886     -0.189574465       4.31234550    
 H   -2.89829445      0.407429457       4.77644110    
 H   -3.07161856     -0.443089038       3.48740530    
 O   -4.17487240       3.78641796       4.67964029    
 H   -4.77232933       3.06887817       4.43610907    
 H   -4.07350874       4.34896612       3.89808965    
 O   -7.13512022E-03   7.78593254       2.18133569    
 H   0.795914710       7.25722551       2.26864052    
 H  -0.596527159       7.49925137       2.89073873    
 O   -3.64711022       5.41289616       2.46956086    
 H   -4.25327873       5.66031551       1.76260018    
 H   -3.07195568       4.71916294       2.10506201    
 O   -5.20652437       5.76623964      0.178880170    
 H   -5.19387245       4.84848690     -0.150210261    
 H   -6.05443048       6.13188648      -5.80665208E-02
 O   -1.69364226       6.52942562       4.06411839    
 H   -2.38712668       6.24625349       3.44952250    
 H   -2.04997993       6.38821602       4.94858456    
 O   -2.53016949     -0.707080364       1.65006077    
 H   -2.49396873      -1.59203136       1.29667425    
 H   -1.69545138     -0.273139328       1.39855313    
 O  -0.277031988       2.26671576       3.27417374    
 H   0.125172719       3.10501432       3.54055858    
 H  -0.854892373       2.00655317       4.00424480    
 O   -2.22792387       3.30524564       1.60702693    
 H   -2.92855024       2.64753461       1.49854243    
 H   -1.56089914       2.93896079       2.20376515    
 O  -0.560312092       3.85564280       6.66169071    
 H   -1.27809298       4.49503374       6.74667168    
 H   -1.82548296E-02   4.16826677       5.92491913    
 O  -0.272778749      0.634113431      0.999762297    
 H   -7.85554573E-02   1.12757742       1.80950868    
 H  -0.309817433       1.29060185      0.292799264    
 O   0.969515324       5.09528923     -0.110705771    
 H   0.398173332       5.83822632     -0.339977771    
 H   0.490864873       4.29635048     -0.364080995    
 O   -4.97072029       3.23583317     -0.768074751    
 H   -4.24731302       3.20970917      -1.40654516    
 H   -4.79942799       2.53451633     -0.126308352    
 O   -2.91217685       5.53684425       6.43750858    
 H   -3.44211435       4.91144609       5.91631937    
 H   -3.48430586       5.87681723       7.12123108    
 O   -5.56407356       1.47668302       3.82483029    
 H   -4.88949156      0.813417256       4.06329298    
 H   -6.41094732       1.11058533       4.06510353    
 O   -2.07737660       1.96065176       5.36577272    
 H   -1.49747252       2.46583796       5.95431900    
 H   -2.77603865       2.57278466       5.09993362    
 O   -2.89173746       6.05939531      -1.49944067    
 H   -3.64640689       6.11794710     -0.902494431    
 H   -2.16738796       6.54857302      -1.08936524    
 O  -0.686527550       7.42648602     -0.421641439    
 H  -0.518636286       7.60244703      0.520375192    
 H  -0.360880375       8.18641663     -0.898545921    
          69
 Energy    -248.55837256564797     
  O     13.65476694     11.74433860    -17.47705245
  H     14.51826513     11.54418436    -17.85897397
  H     17.72681741      9.16808556    -13.02610953
  O     17.33872537      6.03565168    -13.17438388
  H     13.82449220     12.03620569    -16.57219998
  H     16.66353665     10.92668453    -16.62149924
  O     18.10685595     12.10050963    -13.45452491
  H     17.37475955      6.82017110    -13.73520438
  H     15.88067724     11.36135861    -15.35300117
  O     15.14647022      4.77385339    -14.14570645
  H     17.44711008      6.35398844    -12.26979891
  H     14.37649823      7.87331426    -12.52771777
  O     13.42394270      9.52012658     -9.77068641
  H     17.38274367     12.63184985    -13.10352282
  H     15.39797228      8.62535034    -13.43504559
  O     13.75533597      6.19614928    -12.12632227
  H     17.79607683     11.79328976    -14.31727754
  H     12.63060125     10.36052181    -17.79037465
  O     12.63127898     10.35911058    -13.59088560
  H     15.27105604      3.84053988    -14.29483637
  H     11.48460627      9.70561503    -18.59930393
  O     14.78281684      8.36564025    -18.28596306
  H     15.97886201      5.11726809    -13.77269581
  H     18.36269379      7.22425575    -10.04005031
  O     14.88672323      7.16490617     -9.76742312
  H     13.87339300      8.66778139     -9.66013596
  H     17.88935634      8.21941966    -11.11873644
  O     16.81296833      8.44951010    -14.61191600
  H     14.12844720     10.14525645     -9.96727208
  H     11.19455073      7.91438536    -12.43933714
  O     14.75549795      7.04226985    -15.78599276
  H     12.84408996      6.39593156    -12.39099610
  H     11.50372445      7.44353840    -13.88247569
  O     18.06565567      9.63303517    -12.25154501
  H     14.12986375      5.59813977    -12.78193363
  H     15.44087636     13.87811716    -11.83056103
  O     16.71502105     10.97662465    -15.65868185
  H     11.99592073     10.27047936    -12.87052988
  H     15.54339846     12.33805117    -11.92950148
  O     14.66064854      8.74662340    -12.82735607
  H     13.37676392      9.78636561    -13.34148929
  H     16.55883670     10.47346582    -11.30088529
  O     12.17909192      9.51689323    -17.97408308
  H     14.86062653      7.78976439    -17.51479770
  H     15.14920418     10.03683044    -11.64562589
  O     17.66576301      7.38707862    -10.67250579
  H     13.86030939      8.65064409    -18.30599932
  H     15.74603396      9.81586619    -18.38861665
  O     11.33839359      7.13034332    -12.98429643
  H     14.46791486      6.67138132    -10.48693273
  H     16.65188448     10.77521707    -19.20006023
  O     15.60354037     13.16326642    -12.44080124
  H     15.81455111      7.24753997    -10.01301365
  H     11.96892905      9.50557422    -10.74780926
  O     15.63800330     10.72448766    -11.16705871
  H     16.15499715      7.94406999    -15.11469102
  H     10.44300753      9.73855861    -10.80483739
  O     16.17803863     10.68919995    -18.37754982
  H     16.85699587      9.32843845    -15.01670878
  H     13.66585240     11.59595843    -14.37333820
  O     11.19893790      9.52297125    -11.34431120
  H     13.89062731      7.43341722    -15.59329872
  H     14.73035436     12.66386454    -14.02850335
  O     14.34700897     12.16548100    -14.76066794
  H     14.79678187      6.18769302    -15.34019137
  H     12.11478458      8.64955277    -16.32908190
  O     12.27505666      8.31049015    -15.43953643
  H     18.26884511     10.52530307    -12.57105958
  H     12.33874624      9.08656679    -14.86458107
          69
 Energy    -248.55816852805231     
  O     17.28907941      4.17892246    -13.78802799
  H     17.78455622      3.40314281    -14.03633916
  H     20.56309397      8.38074199    -14.11805986
  O     13.20482594     11.47531498    -11.19715156
  H     17.55271434      4.88983754    -14.40069746
  H     16.18897296     10.90278009    -14.25759442
  O     15.93951636     12.26877460    -11.52270757
  H     14.10751569     11.81372447    -11.17407335
  H     14.66454227     11.18991804    -14.06914323
  O     11.85362780      7.67626306    -16.99253122
  H     13.01424377     11.29479716    -12.12802113
  H     16.31577321      8.51134810    -13.21524293
  O     15.37120172      5.46917108     -9.55118754
  H     16.30307779     13.14328264    -11.40743033
  H     16.30144392      7.25842687    -12.27729561
  O     13.59107541      6.74797080    -15.08801597
  H     15.85194577     12.12765377    -12.48064906
  H     13.22799320      6.03937060    -11.88719588
  O     12.98639267     10.46964642    -13.81864220
  H     12.44718263      7.25674682    -16.34801334
  H     14.06958366      5.19893512    -10.91029684
  O     14.88723494     10.47755573    -16.87555990
  H     11.66409322      7.01149264    -17.64920871
  H     17.26869748      5.19453544    -12.25266489
  O     17.98390392      6.25841857    -15.36163779
  H     15.24251485      6.40557474     -9.31450589
  H     16.66154891      5.60366717    -10.86310141
  O     17.21552836      9.47845984    -14.44957572
  H     15.38795121      4.97794221     -8.73428832
  H     15.39896091      4.21455484    -14.05479250
  O     15.85790310      7.94646600    -16.27237501
  H     13.88528919      5.84776385    -14.87579101
  H     14.09692099      4.47986480    -13.26484638
  O     19.63469851      8.20399313    -13.99446422
  H     13.32617188      7.14952072    -14.25287494
  H     16.57277085     10.63253152    -10.75958455
  O     15.53143532     11.61069826    -14.16661419
  H     12.57354739     10.44327971    -14.69076347
  H     16.37674568      9.16891016    -11.20679682
  O     15.81298882      8.05370052    -12.52935544
  H     12.97413768      9.57135234    -13.46544572
  H     18.50076819      7.23316810    -11.33047950
  O     13.47681376      5.13517278    -11.66908112
  H     13.92242109     10.48606224    -16.84409493
  H     18.40721117      8.72810346    -10.96479449
  O     17.25787992      5.87911400    -11.57146614
  H     15.17450352     11.07193112    -16.17498030
  H     14.13836563      8.45376367     -9.30635133
  O     14.45203310      4.35817757    -14.15847388
  H     18.59640872      6.88523367    -14.95842844
  H     15.65925804      8.71482706     -9.36601081
  O     16.77073754      9.72161075    -10.51430192
  H     17.30418369      6.77550887    -15.81198599
  H     12.75885951     10.01327702    -10.38313625
  O     18.98610537      8.07020170    -11.36783319
  H     16.80265907      8.95216430    -15.15164017
  H     11.72185889      9.19879855     -9.56986540
  O     14.99352551      8.09576581     -9.03936046
  H     18.12466619      9.17329639    -14.34593036
  H     11.92280809      9.38798691    -16.69324809
  O     12.53199815      9.12002501    -10.06664767
  H     15.09578754      7.50674300    -15.87164804
  H     11.36620910     10.81609242    -16.91086475
  O     12.05001909     10.32511109    -16.46291142
  H     15.52976200      8.77264919    -16.65773464
  H     12.81530339      8.27155977    -11.68852215
  O     13.13588975      7.93440551    -12.53507452
  H     19.48013453      8.16036346    -13.03349433
  H     14.10913907      7.97044834    -12.50568436
          69
 Ord_Energy   -248.557434    
 O   -1.38903415       7.34541225      -5.89107014E-02
 H   -1.31817162       7.36772919      0.912609041    
 H   -1.34199655       8.24796772     -0.361738682    
 O   -3.44124079       6.84042740       4.34699345    
 H   -4.00380611       7.44482231       4.82557869    
 H   -3.99217749       6.44065285       3.65270138    
 O    2.22358274       4.66804457       1.55546236    
 H    3.09589815       4.66483402       1.17153716    
 H    1.59746623       4.84659576      0.829856515    
 O   -3.27291417       5.26455784       5.97879998E-02
 H   -2.74947023       6.05699778     -0.104385547    
 H   -2.64636207       4.52744865       9.46855694E-02
 O   -3.36207271       2.25916123       3.13549685    
 H   -4.09481525       2.17364240       2.51107097    
 H   -2.87142277       3.07369113       2.93232918    
 O   -5.36665630       1.83186305       1.26531172    
 H   -6.21965885       1.95182824       1.70007503    
 H   -5.34111691       2.46390152      0.533283353    
 O   -7.10663366       4.89601183      0.875170946    
 H   -7.48452520       4.16041470       1.37245274    
 H   -6.65856791       4.49753380      0.117774911    
 O   -3.46724033      0.144769400       6.54551014E-03
 H   -2.66234159      0.274371415      0.523859799    
 H   -4.18399000      0.554004669      0.511340082    
 O   0.388489723       4.00174904       5.38012171    
 H   0.791985393       3.85038590       6.23087072    
 H  -0.533983529       4.26044559       5.55404902    
 O   0.647728086       2.74063897       2.86355281    
 H    1.29193544       3.29935098       2.40873766    
 H   0.611379027       3.04368377       3.78136182    
 O   -1.71546853       4.31077385       2.55692482    
 H   -1.51861978       5.25121784       2.52710199    
 H  -0.866904080       3.85209227       2.58119631    
 O   -1.22904372       7.15840816       2.63531113    
 H  -0.388531864       6.93924856       3.06777930    
 H   -1.92337382       7.19395781       3.30390978    
 O   -4.87918043       5.60922718       2.35613728    
 H   -5.72803545       5.52190304       1.89821827    
 H   -4.20902824       5.45544481       1.67733192    
 O   -1.30859196       1.14715493       1.60735810    
 H   -2.02286410       1.40080142       2.21082377    
 H  -0.502825081       1.49952340       2.00766373    
 O   -4.03615808       2.62552118       5.72150564    
 H   -3.76352906       2.39671087       4.81379795    
 H   -4.08664417       1.80809653       6.20966482    
 O   -3.45747209       1.78301144      -2.15479994    
 H   -3.47407293       1.10281706      -1.45700991    
 H   -3.38272476       1.32356834      -2.98661494    
 O    1.09219730       6.19926214       3.68237543    
 H   0.908369720       5.51272345       4.33544970    
 H    1.57768202       5.76293755       2.97055697    
 O   -6.12907457       3.96527267       4.32498121    
 H   -5.61807203       4.50396919       3.70618033    
 H   -5.48965740       3.54860616       4.91398430    
 O   -2.17237830       4.75280380       5.90968323    
 H   -2.82534051       4.04290104       5.95307827    
 H   -2.57866740       5.45716000       5.39166880    
 O   -7.71602011       2.63980556       2.57991648    
 H   -7.22187996       3.09037113       3.28914356    
 H   -8.53984070       2.34624982       2.95812345    
 O   -1.54402125       3.07948971     -0.479391545    
 H   -1.44986367       2.42468619      0.224544764    
 H   -2.10324478       2.68539953      -1.15892422    
 O   0.385840744       5.10685444     -0.360152334    
 H  -0.226564348       4.36887360     -0.487481058    
 H  -0.150491565       5.90771914     -0.359788746    
 O   -5.25107336       3.61432600     -0.904325843    
 H   -4.77533293       3.01652336      -1.49335575    
 H   -4.60933733       4.29397440     -0.645687580    
          69
 Energy    -248.55732263164793     
  O     11.89861544      9.31478819    -15.37173998
  H     11.49251164      8.81613851    -14.65036558
  H     21.04805457      8.52658200    -14.93921159
  O     16.69864548      6.23614027    -13.22679883
  H     12.59324685      9.84282344    -14.96430384
  H     16.48533960     11.61939335    -16.05875180
  O     16.92255138     10.62739333    -12.84515281
  H     15.96814792      6.30995649    -12.59647421
  H     15.30455462     11.18641189    -16.95437053
  O     13.97409511      5.19611602    -15.79955116
  H     17.38154769      6.86480456    -12.95488245
  H     16.30215018      8.29311147    -15.69653414
  O     14.50272211      9.77234713     -9.52015297
  H     16.01448924     10.58525176    -13.16726286
  H     15.97994332      7.41967560    -14.44060488
  O     14.60239107      6.68388362    -11.51950405
  H     16.88701971     10.92222391    -11.92554933
  H     11.56076291      6.99913812    -13.25832325
  O     14.38603394     10.33631968    -14.11559049
  H     14.92671714      5.06185944    -15.85340797
  H     10.16110592      7.53664652    -12.86599020
  O     17.29463192      8.85324444    -17.17253791
  H     13.76496970      5.93232505    -16.38657701
  H     18.24658622      8.34851864    -10.70947604
  O     15.70159035      7.20967955     -8.99715492
  H     14.78794043      8.90370361     -9.21163401
  H     17.67148942      9.47084539     -9.82758365
  O     18.81986600      6.72230215    -16.31386485
  H     13.93459468      9.61092169    -10.28596958
  H     13.11112082      5.45477271    -14.20581356
  O     16.86625201      4.76580833    -15.51276808
  H     14.93916546      6.72668220    -10.61575064
  H     13.35522466      5.81466723    -12.71272164
  O     20.10438321      8.58103925    -14.81390616
  H     14.15394111      7.52552485    -11.68149796
  H     17.82208648     10.79974118    -14.46834152
  O     15.53536017     11.71808588    -16.18141237
  H     14.77045860      9.49052692    -14.40288889
  H     18.99694513     10.13422620    -15.19980999
  O     15.63179008      8.09818867    -15.02909148
  H     14.65751003     10.98558903    -14.78119444
  H     19.11837586      8.35331617    -13.25180293
  O     11.03492235      7.81071613    -13.12925274
  H     16.56686191      9.18849108    -17.70969481
  H     17.86729194      9.06537117    -12.68079650
  O     17.92382484      8.53935825     -9.81900055
  H     17.63315675      9.58990948    -16.64260714
  H     15.90400267     10.73113502     -9.87326566
  O     12.66895756      5.69427571    -13.37908385
  H     15.86071046      6.73380906     -8.18672280
  H     16.82782652     11.93800434     -9.57346590
  O     18.23701524     10.71467716    -15.33835463
  H     16.54678366      7.61958193     -9.25548545
  H     14.38732912      9.11931319    -17.89808132
  O     18.43363087      8.28666389    -12.57539264
  H     18.30624334      7.37453317    -16.81303441
  H     14.55865006      9.99669687    -19.15920999
  O     16.74787993     11.15604675    -10.11276427
  H     18.21648856      5.99553014    -16.12362588
  H     13.56660664      9.63557228    -12.62783875
  O     14.91885494      9.83193890    -18.29163672
  H     17.05402965      3.83979440    -15.37489915
  H     12.36989130      8.73225265    -12.22685361
  O     13.20233930      9.10458438    -11.90741466
  H     16.83254439      5.17675802    -14.63110940
  H     12.87077863      8.27704661    -16.48892227
  O     13.61957867      7.82983613    -16.91208544
  H     19.70946209      7.86112344    -15.33867021
  H     14.30824334      7.78626312    -16.23068875
          69
 Energy    -248.55713005537109     
  O      2.86509844      0.45724885     15.73379922
  H      2.22102536      0.74945860     15.06629472
  H     -0.29933264     -1.62545194     16.90594314
  O      0.57721783      1.48468612     11.29435725
  H      3.59314524      0.06326867     15.26001551
  H      3.01730539      1.85347372     17.07161518
  O      0.57196390      3.80044534     17.16716568
  H     -0.27707198      1.04202887     11.21211866
  H      2.66666378      1.97696135     18.56584497
  O     -0.18347224      4.18409239     11.81522044
  H      0.38421722      2.43179234     11.30100738
  H     -3.00051601      0.04772428     19.07937219
  O     -2.01204844      0.25797868     11.57544279
  H      1.46533543      3.49942105     17.38247747
  H     -3.22705602      1.50096781     19.60231124
  O      1.03382437     -0.51492667     17.62604792
  H     -0.01406279      3.04948132     17.34895367
  H     -0.41140486      0.00524430     14.09626838
  O      2.00399807      0.77951736     19.91075126
  H      0.10179907      5.06250880     11.57710935
  H     -1.11095689     -1.19758230     14.80143666
  O     -0.97696191      5.80208293     18.15806632
  H     -0.12735933      4.12459098     12.78389945
  H     -3.09948690      3.35900713     13.75679421
  O     -3.53852684     -1.04836930     17.62576426
  H     -1.78300043     -0.13283762     12.43512205
  H     -3.11365044      2.54082875     15.07398862
  O     -0.25336617      3.73701570     14.53969249
  H     -2.43126676     -0.43076351     11.06531149
  H     -2.43803674      3.87970495     20.25571066
  O     -2.80085333      2.99417415     12.01182865
  H      1.70237370     -0.28946108     16.96540292
  H     -1.31763456      4.81225963     19.77932108
  O     -1.03784871     -2.00105908     16.40718315
  H      1.37594879     -0.20857296     18.47700723
  H     -3.87911920      3.60860083     18.63456118
  O      2.89343687      2.49445171     17.78208231
  H      2.53793795      0.49808080     20.64864126
  H     -4.91196264      3.43256809     19.77113161
  O     -2.62716985      0.74134743     19.63585525
  H      1.18467875      1.15052324     20.28688979
  H      0.96087165      1.26315836     13.02575818
  O     -1.18760321     -0.57170292     14.06576980
  H     -0.33852011      5.15483886     17.81210281
  H      0.52188790      2.09540513     14.25739160
  O     -3.01668008      3.43581976     14.71856681
  H     -0.55635304      6.65664584     18.11411733
  H     -2.60591376      5.08116431     17.48608829
  O     -1.54604675      4.17828035     20.46860806
  H     -3.45930756     -0.37309552     16.93116432
  H     -3.31617647      4.29132459     16.35098682
  O     -4.06706511      3.12143353     19.45724473
  H     -4.37003523     -1.49393924     17.48178713
  H     -1.09827786      1.20397602     20.66397871
  O      0.92986869      1.25979546     13.99443403
  H      0.11600463      3.88722087     15.41957636
  H     -0.60198311      2.64441387     20.82513959
  O     -3.38804539      4.55596636     17.27648638
  H     -1.21339567      3.65934305     14.63912587
  H     -1.39609035      1.37285918     18.37581383
  O     -0.31472963      1.72204279     20.88619503
  H     -1.98802876      3.46176819     11.78428632
  H     -0.22751004      0.81034620     17.52246241
  O     -0.89456927      1.50907084     17.56117695
  H     -2.62810360      2.06334055     11.82392615
  H     -2.18267646      1.17395683     16.38339530
  O     -2.86531818      0.87730623     15.75940561
  H     -1.82864717     -1.83664657     16.93226526
  H     -2.39749146      0.37758880     15.07656703
          69
 Energy    -248.55698284972624     
  O     16.58972643      8.04448676    -14.97772422
  H     16.53319005      8.84044531    -15.52461459
  H     12.72135665      9.57662995    -12.53466205
  O     15.52238901      8.64338910     -8.59610393
  H     16.32417536      8.30426906    -14.08272104
  H     12.94736104     10.51665949    -10.46441808
  O     16.65743027     10.54643703    -16.07599974
  H     16.12395693      8.17707583     -9.20074554
  H     11.40339840     10.62456469    -10.52602507
  O     13.06180290      7.67355611     -9.67882323
  H     15.89321948      8.55769303     -7.72133587
  H     21.03927357      4.78357553    -11.28521986
  O     15.59193346      5.55657197    -14.50245675
  H     16.00996912     10.98797302    -15.51273678
  H     19.58159766      4.66438748    -11.78894488
  O     19.31441133      7.99315886    -14.74124153
  H     17.53314065     10.77808504    -15.74218159
  H     16.65847453      6.50605375    -10.82222852
  O     19.37032220     10.69908057    -15.05516304
  H     12.65516111      8.46159525    -10.05870582
  H     17.85748121      7.51387860    -10.91108628
  O     19.31854139      7.85617823    -11.92525904
  H     13.86111955      7.97294928     -9.22924536
  H     20.29439156      5.26726839    -13.72439057
  O     13.07940661      5.39755110    -11.10821071
  H     15.98664348      6.39105893    -14.79630059
  H     19.29301571      4.80759285    -14.80326612
  O     14.59943480     11.53863242    -14.32365410
  H     14.65042702      5.74411842    -14.37448915
  H     16.88814626      4.36558132    -14.79613983
  O     13.07439959      6.41458680    -13.79970509
  H     18.35762952      7.93710531    -14.88484347
  H     17.46331231      3.13150680    -15.52345827
  O     13.22109908      9.29557267    -13.31233853
  H     19.67187109      7.09920206    -14.83532710
  H     16.12366298      8.24549625    -11.74813444
  O     12.14316898     10.11213329    -10.84018181
  H     20.12655216     11.02716570    -15.53526521
  H     15.95513981      9.71050698    -12.22694070
  O     20.36481652      5.24337900    -11.77792697
  H     19.46234309      9.73046847    -15.01805460
  H     15.77014851     11.70493035    -12.78287609
  O     17.02491513      7.32426837    -10.45578187
  H     19.78287324      7.02459960    -11.76079814
  H     17.12764244     11.35894575    -12.05316088
  O     20.06491010      5.36831901    -14.65629637
  H     19.28908923      7.94211672    -12.88835115
  H     14.88409728      5.16463498    -11.42255296
  O     17.66396674      3.78308705    -14.85613401
  H     12.43827175      4.79259628    -10.74513548
  H     15.78519254      5.35425891    -12.66406603
  O     15.76431045      8.79096570    -12.45550871
  H     13.04481441      6.20560718    -10.56525278
  H     19.03647767     10.80365419    -13.20413755
  O     16.17590416     11.50452260    -11.93121359
  H     14.05471910     10.77626179    -14.07009614
  H     19.03274419      9.84045124    -11.99788859
  O     15.80528803      5.19888408    -11.70928688
  H     13.99677548     12.20512118    -14.64638005
  H     15.09476929     11.30501765    -10.47981494
  O     18.76166448     10.72031357    -12.28173582
  H     12.95589971      6.08849834    -12.89879109
  H     14.88807464     10.29472441     -9.32679483
  O     14.46265346     11.01553060     -9.80658717
  H     12.97483152      7.37248003    -13.75548517
  H     18.03805399      3.55207107    -12.99494018
  O     18.14866295      3.69911568    -12.04683279
  H     14.08185286      8.99498715    -12.97784833
  H     17.31904355      4.10243973    -11.75942060
          69
 Energy    -248.55675066509417     
  O     12.34455454      9.76267361    -10.73455671
  H     12.71899446     10.08433173     -9.90369673
  H     12.73085781     15.58039089     -7.00853098
  O     11.99968346      6.13312876    -11.52919067
  H     12.93477358      9.07870769    -11.06775745
  H      9.40720646     12.53909313    -10.90647474
  O     11.98293898     11.83304284    -12.49495879
  H     11.65729514      6.74582680    -12.20754762
  H     10.86288122     12.68627088    -11.38850920
  O     13.30093236     10.71674207     -8.31121837
  H     11.80760209      5.25133459    -11.83676029
  H     10.65737282      9.69391597     -7.02795409
  O     14.07169698     15.58420807    -11.57086032
  H     12.11148000     11.06422468    -11.91718894
  H     10.31977250     11.13693804     -7.46908249
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  H     12.39992785      7.92464416     -6.27535921
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  H     13.03972111      9.94724621     -7.78915047
  H     11.84173886      7.90421671     -7.71674137
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  H     14.65848918     11.44461419     -9.22089800
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  H     13.15890093     15.57403745    -11.23060578
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  O     11.62056330     15.46389105    -10.41154870
  H     14.19979371     16.42969912    -11.99185738
  H     12.13137213      8.18816801    -13.87936026
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  H      9.67615830      9.68577257     -8.99125907
  H     10.71857825      8.65362258    -13.47678288
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  H     10.56708636      9.47324505    -10.25979610
  H      9.18395884     10.54712434    -12.91699565
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  H      7.24839743     11.01487091    -11.19622567
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  H      8.63202838     10.43783706    -10.81786582
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  H     17.14171050      8.92641279    -10.81323117
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  H     11.82968483     15.42266767     -9.47021777
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  H     14.18404497      8.00650906    -12.61352261
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  H     11.66649957     13.41377977     -7.92067901
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  H     10.87662634     12.71369661     -9.06287969
          69
 Energy    -248.55662494846752     
  O     11.69275964     10.22667372    -15.81644356
  H     11.16724546     10.93922475    -15.42899928
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  H     15.69646508      8.24221050    -11.89884091
  H     13.34519241     11.80685971    -18.02178464
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  H     17.30636309      9.68894469    -13.11939222
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  H     17.43662675     10.73796111    -11.99359569
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  H     15.54885698      9.92890023    -17.40488965
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          69
 Energy    -248.55628580677467     
  O      1.38079902      2.20501218      7.05158255
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  H     -0.29342524      5.16559512      5.95538392
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  H      4.12536213      2.15902691      9.98796946
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  H      5.10718491      2.13205401      8.78673844
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  H      7.96486749      3.33397692      4.85030401
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  H      6.82501889      2.32181139      4.56885118
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  H      0.91042164     -0.10575198      5.07627976
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  H      2.98052866      4.47636627      5.90962238
  H      1.63826355      1.07839931      5.73564922
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  H      3.94526078      3.81047746      6.93530942
  H     -1.48107637     -1.19309087      5.15158579
  O     -1.03767837      0.02253985      8.07681953
  H      4.96522933      1.84430965      0.89173474
  H     -0.97060272     -0.38922377      6.37142100
  O     -0.49548588      2.75157703      2.18657801
  H      4.85167144      2.72482045      2.16208654
  H      4.29148579     -0.32859643      6.89548386
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  H      1.99536770      1.35582015      3.58392709
  H      3.45050559      0.09013700      5.65715150
  O     -0.06622213      4.87037616      5.06588920
  H      2.93537505      1.82615343      2.42713230
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  O      7.02199817      3.21063480      4.91861575
  H      0.09261172      5.32152786      8.31519159
  H      2.36862222      3.60702939      3.72661761
  O      1.74798418      0.37190120      5.07802919
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  H      1.59853284      4.74567236      4.42606683
  O     -0.90347129     -0.47770516      5.40389513
  H      5.65197706      0.98957747      3.21697379
  H      2.36677076     -0.12699234      9.01018586
  O      4.34082705      0.10528122      6.03483311
  H     -0.21146704     -0.00600662      8.57464927
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  O      5.26169187      2.59373095      6.99097088
  H     -1.28936943      0.95650424      8.03631174
  H      5.71688359      4.05186837      3.74462972
  O      2.48790465      4.45900044      4.16766631
  H      0.42515993      2.47420960      2.31804842
  H      4.24985413      4.48794796      3.46316826
  O      1.58537059      0.42644441      9.12482049
  H     -0.45315769      3.61831677      1.78733009
  H      1.83036450      4.24175531      9.64398208
  O      5.07469109      4.21085142      3.04247865
  H      4.58577643     -1.47812998      9.17230722
  H      2.24293623      4.92402788      8.32481357
  O      1.61737896      4.98013656      9.06241043
  H      4.47148528      0.06570528      9.10460194
  H      2.12950614      2.57824460     11.54625923
  O      2.33351809      2.65302315     10.61640947
  H     -0.52183836      4.03010965      4.93745490
  H      1.98548675      1.85198777     10.19234328
          69
 Energy    -248.55622279174571     
  O     14.83542402     11.68693531    -12.55919069
  H     15.08844369     12.59346384    -12.71810230
  H     14.26140701      7.84562912    -14.77593408
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  H     12.28603428     11.01726476     -9.69475082
  O     16.89016214      5.84428165    -11.15104760
  H     17.80514193      9.41716735     -7.80229421
  H     11.75464620     10.34443827     -8.41897299
  O     13.59740569      4.10099282    -10.64959223
  H     16.32757702      9.49447523     -7.38442661
  H     15.58757213      8.93769390    -13.65951132
  O     18.84027964      7.05265789     -9.56500091
  H     16.34182863      5.71759106    -10.36503542
  H     14.86635668     10.23161951    -14.00085362
  O     17.35346830      6.37153001     -7.19565404
  H     16.37870232      5.49827665    -11.89821618
  H     19.72129569     10.09380214     -9.43676676
  O     16.36476854     10.59133851    -10.47413875
  H     14.17185504      4.50401191     -9.97980796
  H     18.88286421      8.79925041     -9.54532763
  O     10.00295955      7.99411350    -10.52799811
  H     13.61737508      3.16023084    -10.48867699
  H     15.96669565      5.65538137     -8.23767206
  O     14.77898365     10.00540398     -8.27300368
  H     18.48143031      6.73818686     -8.72619057
  H     14.59190080      6.19088987     -8.68924214
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  H     18.33901709      6.58219083    -10.24448262
  H     13.15803510     11.07300770    -11.99007167
  O     11.71569348      6.01319313    -11.53558911
  H     17.24077960      7.33538010     -7.10861085
  H     11.73561789     10.39949977    -12.11446517
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  H     17.69017344      6.05979662     -6.35961409
  H     11.26324368      6.63194454    -13.24262318
  O     12.29943076     11.07801046     -8.72927738
  H     17.26753103     10.44908982    -10.16071941
  H     12.11326052      7.14918373    -14.41120808
  O     15.04881981      9.35552760    -14.35090626
  H     15.77946895     10.42961926     -9.71911638
  H     10.65774898      8.74640680    -13.41991864
  O     18.82660942      9.76442251     -9.42440497
  H     10.46179709      7.19301523    -10.81729510
  H      9.60101900      9.87340933    -13.48545269
  O     15.24819931      5.49809934     -8.86293343
  H      9.99993718      8.58433489    -11.28905381
  H     10.53242189      8.42206992     -8.92998807
  O     12.45401778     10.62240268    -11.50719507
  H     13.98963279     10.56249762     -8.32954606
  H     10.22841371      8.50456582     -7.41586572
  O     11.23759992      7.21907409    -14.01027364
  H     14.44211527      9.10009982     -8.31054021
  H     14.39487382      4.74488712    -12.38977604
  O     10.34232759      9.55508422    -12.97745779
  H     13.13744014      8.95358406    -11.34214794
  H     14.58821652      5.68192726    -13.61311867
  O     10.92039780      8.62668999     -8.06013060
  H     14.41055671      8.09705391    -11.62901441
  H     12.59708411      7.82328324     -8.26725503
  O     15.04427920      5.07146801    -13.02247274
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  H     13.47677200      7.72542983     -9.53876694
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  H     16.34769565      9.04848899    -11.46985736
  O     16.17171711      8.33242536    -12.09311558
  H     14.14436696      6.71228003    -15.81611600
  H     16.53390695      7.50981941    -11.74183691
          69
 Energy    -248.55604568362008     
  O     17.12057774     10.14118870    -15.16292559
  H     17.18933772     11.09176598    -15.30324452
  H     13.52781812     10.70129654    -12.11966323
  O     15.08287132      9.65927350     -9.61418148
  H     16.96875675     10.04401661    -14.20605341
  H     18.86794657      5.12085147    -14.37877753
  O     17.29036405     12.95244831    -14.86290607
  H     15.43801850     10.55287976     -9.68833584
  H     18.75762647      5.51471972    -12.89351747
  O     12.51113568      9.84374227    -10.81197056
  H     14.16325305      9.71108049     -9.90272746
  H     15.92560248      8.27726205    -10.41599365
  O     15.16260368      8.18071079    -15.43221082
  H     17.21471193     13.74180919    -15.39323993
  H     15.74903974      7.28821741    -11.63135370
  O     19.22730734      8.41703989    -14.63093833
  H     16.73418452     13.09567346    -14.07684463
  H     18.06821556      5.95078949    -16.23359152
  O     21.12150870     10.18856143    -13.73190402
  H     11.67467796     10.00817950    -10.38540182
  H     19.45878954      5.67545671    -16.85487640
  O     18.92442510      7.17293778    -12.05542612
  H     12.37928746      9.08569008    -11.40926431
  H     15.86752560      6.59979841    -16.10610186
  O     12.30215837      7.90321416    -12.69478050
  H     15.84060375      8.86982470    -15.45742805
  H     16.08943249      5.17316215    -15.55644479
  O     15.66612115     13.23530337    -12.66155621
  H     14.30961526      8.63235054    -15.41817875
  H     17.33202650     10.54187891    -12.04826744
  O     12.82271356      9.64679909    -14.94268892
  H     19.21435137      7.62778217    -15.18717088
  H     16.58753471      9.18104150    -12.02501577
  O     14.06898593     10.95169882    -12.87961281
  H     18.52180737      9.00493863    -14.93419741
  H     18.94194339     12.70501582    -13.89532638
  O     18.55830140      4.80655928    -13.52129461
  H     20.50989613      9.52763116    -14.09684155
  H     20.17463727     11.83498435    -13.51767712
  O     16.39375109      7.70212581    -11.04032948
  H     21.97141115     10.02894236    -14.13497200
  H     19.16030332     10.72700365    -10.84105942
  O     19.02736515      6.04448469    -16.08916819
  H     18.92641423      7.65618192    -12.89316525
  H     18.93291120     11.98781174    -11.72084271
  O     16.34132389      5.77295049    -16.26945235
  H     18.06558149      7.31634389    -11.63079145
  H     15.09838709      5.78427987    -13.26663626
  O     16.68599035     10.00280071    -12.52209917
  H     12.28598419      8.38895975    -13.52789432
  H     14.97880523      7.21495992    -13.84937503
  O     19.63805702     12.58830311    -13.23840780
  H     13.09289815      7.34748217    -12.73810982
  H     20.77737760      9.68226466    -11.86200200
  O     18.54288543     11.45179325    -11.01416541
  H     15.89167894     13.10199232    -11.73375724
  H     19.96255754      8.54485331    -11.22526736
  O     14.79212481      6.67825452    -13.06653767
  H     14.95079818     12.60584532    -12.82513216
  H     17.12121972     12.04896256    -10.21209737
  O     20.36193991      9.40395155    -11.03681916
  H     12.26637680     10.23175394    -15.45022140
  H     16.35808395     12.88087169     -9.15889424
  O     16.23376419     12.34051090     -9.93562706
  H     13.26408621     10.19068233    -14.26668246
  H     15.74700313      3.33618007    -13.69743117
  O     15.92871661      4.25704546    -13.86280138
  H     14.96410142     10.62014924    -12.71194045
  H     16.87475833      4.39678133    -13.67510332
          69
 Energy    -248.55600914869262     
  O     -3.62493964      0.51579050      3.79774600
  H     -2.83380217      0.05375488      3.48228853
  H     -6.87301831      3.70199637     -0.48275666
  O      0.52267164      4.10149724      1.46140822
  H     -4.31986753     -0.14368913      3.91973514
  H      0.86031166      2.26283204      0.95256795
  O     -1.46902145     -0.72767060      2.65318674
  H      0.37856172      3.82578173      2.38598311
  H      0.27666142      0.90425549      0.47743255
  O     -5.08177252     -1.01612066     -2.13374477
  H      1.19494909      4.77748907      1.47625026
  H     -5.48519291      5.38982924      4.59234557
  O     -2.84379846     -2.15914041     -0.77462967
  H     -1.42770744     -0.41050374      1.73892724
  H     -5.06489388      5.11770382      3.12494362
  O     -4.80022571      1.31355134      1.38463183
  H     -0.64902026     -0.44520657      3.07566323
  H     -2.48563815      3.78489128      2.06089423
  O     -6.83820349      2.86194024      2.49200094
  H     -4.29686413     -1.41313325     -1.73654192
  H     -1.31022075      4.28483261      1.18749666
  O     -2.87670632      3.16741889      3.77695873
  H     -4.79988365     -0.17283094     -2.50871161
  H     -3.86294769      5.21577697      1.23340555
  O     -4.34594341      1.66801124     -2.89192711
  H     -2.53738279     -3.01320679     -1.06989418
  H     -5.38641753      5.22550943      0.90742682
  O     -6.69689035     -0.11739724     -0.09328921
  H     -3.20423839     -2.28796799      0.12115225
  H     -6.04004656     -2.01625631      4.27373202
  O     -3.10607413      2.21774672     -0.52080073
  H     -4.33292906      0.96329037      2.15157394
  H     -6.38687655     -0.89842511      3.26741971
  O     -6.95621711      4.43244961      0.15615904
  H     -5.49217003      1.89057148      1.73587814
  H     -1.02208985      3.16311064      4.02394739
  O      1.01526987      1.31038288      0.95056128
  H     -7.01699290      3.42002441      1.72249611
  H      0.21337531      2.22357906      3.96117651
  O     -5.24689266      4.69475852      3.98491874
  H     -6.38523482      3.42101797      3.13551325
  H      1.74391656      0.13169994      3.84383157
  O     -2.26994577      4.18676598      1.20629359
  H     -3.15364517      2.24406536      3.86511022
  H      1.04633696      0.73840608      2.60046047
  O     -4.71317639      5.59355501      1.49365766
  H     -3.64706881      3.70755180      3.98978191
  H     -7.54295956     -0.09179213      1.57758596
  O     -5.65141083     -1.40652377      3.65175573
  H     -3.88368003      2.02616984     -3.64514428
  H     -7.53777878      1.03594113      2.62851423
  O     -0.05992968      3.14818685      3.92885761
  H     -3.83392656      1.91597611     -2.10300106
  H     -4.37347730     -2.12134673      2.35419106
  O      0.90862994      0.46407950      3.52625433
  H     -5.98240205      0.27686659      0.42935297
  H     -2.84111167     -1.97505552      2.23352345
  O     -7.64043844      0.08191916      2.52536105
  H     -6.26034413     -0.57994872     -0.82278134
  H     -1.77386692     -0.67394876     -0.39729675
  O     -3.61539644     -2.37814591      1.81801516
  H     -3.77549043      1.86013124      0.08482018
  H     -1.92797465      0.86051290     -0.23760212
  O     -1.35642992      0.11130493     -0.02086085
  H     -2.74306610      2.98865999     -0.06647735
  H     -6.91326207      1.48595187     -1.05946357
  O     -6.75808426      2.32973773     -1.50444113
  H     -7.66431782      4.98823257     -0.15919390
  H     -6.01734914      2.17598587     -2.10178057
          69
 Energy    -248.55596766541467     
  O     -6.76413290      2.99719237      1.83269364
  H     -6.40578598      2.11520692      2.03120882
  H     -6.79938817     -1.14401557     -0.08899632
  O     -3.06198203      5.19368526     -0.67392586
  H     -7.45579458      3.16102800      2.46970017
  H     -0.99661760     -0.55253633      0.78165086
  O     -5.57985132      0.55217841      2.16826317
  H     -2.21670068      4.74133541     -0.83353503
  H     -1.01581667      0.80415269      1.50887205
  O     -4.08369283     -1.41901676     -1.06289669
  H     -2.92799927      6.10853673     -0.91052460
  H     -2.54186446      1.98768998      0.77228045
  O     -1.23861875      1.36324694     -2.56877797
  H     -4.77405462      0.35509318      2.67035303
  H     -2.02806010      2.73039952      2.04541614
  O     -4.74586979      3.21788243     -1.76919625
  H     -5.88998794     -0.26307149      1.75280302
  H      1.70114935     -0.73773883     -0.68678033
  O     -5.39242505     -0.76451852     -3.44542919
  H     -4.78088840     -1.64197106     -0.43434072
  H      0.43772214     -1.31324878     -1.34536674
  O     -3.82437043      1.40121522     -3.67868831
  H     -4.51036315     -1.29424332     -1.92214948
  H      2.50369865      0.26215962      1.57645146
  O     -0.77549792      3.66992051     -0.95962460
  H     -0.37771008      1.20476403     -2.97756008
  H      1.00276197      0.18360356      1.22828996
  O     -1.37011222     -0.96421834     -0.98140576
  H     -1.15532769      2.18145625     -2.06232722
  H     -7.25083393      2.72937018     -0.00882325
  O      1.41201030      0.81274066     -3.34570323
  H     -4.23907876      3.99534721     -1.51018260
  H     -6.53681387      2.85971301     -1.35978568
  O     -6.36198121     -1.64449234      0.62702249
  H     -4.48937699      2.51328418     -1.15299030
  H     -2.34725961     -0.02093184      2.90854023
  O     -0.74968404     -0.12266331      1.61339387
  H     -5.53969654     -1.16953519     -4.29540396
  H     -2.98073846      1.20451246      3.60430228
  O     -1.75777824      2.38040197      1.18828901
  H     -4.84356585      0.02587409     -3.60142373
  H     -7.42351783      0.73363896     -1.27820559
  O      1.38324266     -1.16745718     -1.49079032
  H     -2.89866454      1.35061527     -3.40759948
  H     -6.80101672     -0.35362420     -2.19384919
  O      1.87980719      0.38705392      0.86525714
  H     -4.20347415      2.13391766     -3.17476510
  H     -3.89281192      0.37522377     -0.46756057
  O     -7.33169846      2.50184115     -0.94216204
  H      0.16689468      3.46364775     -1.03667601
  H     -4.55567851      1.07851564      0.73372760
  O     -3.13374337      0.27764059      3.37804995
  H     -1.06827114      3.24509683     -0.13643766
  H     -3.41007092      3.67242408      3.09136003
  O     -7.34809779     -0.22308919     -1.41101370
  H     -1.36021594     -0.14886777     -1.50372459
  H     -2.53716067      3.69958191      4.36967254
  O     -3.95519293      1.22176586     -0.00934781
  H     -2.27052539     -1.31066012     -1.02782113
  H     -5.20053012      4.07624929      1.73875876
  O     -2.81092908      3.14080080      3.64751568
  H      1.90771778      0.60529402     -4.13265461
  H     -3.97597319      4.72192815      1.01921660
  O     -4.33741450      4.48535649      1.88036043
  H      1.47181784      0.03692662     -2.75936439
  H      1.76486288      2.05960612     -1.90427454
  O      1.74325087      2.56025993     -1.07932537
  H     -6.90736420     -2.40405066      0.81078081
  H      1.83427578      1.90446014     -0.37745693
          69
 Energy    -248.55588249081779     
  O     17.54735190      4.93863773     -9.45764515
  H     16.66205096      4.57967058     -9.61056502
  H     17.64847975      7.82187738    -15.25478065
  O     18.87931414      9.00570937    -14.50472289
  H     17.41119749      5.71456875     -8.90180458
  H     15.98801220      7.16939909    -11.32595260
  O     13.30885813      7.91495390    -12.83151071
  H     19.71842201      9.30142235    -14.84681874
  H     15.21783173      5.82418457    -11.11338619
  O     11.49364320      6.01036782    -13.92125078
  H     19.06682091      8.51016955    -13.68637482
  H     19.71518142      4.18652510    -11.61478277
  O     16.70136960     10.68120604    -13.66603410
  H     14.02134899      7.37648802    -12.45119511
  H     18.51766735      4.85894901    -10.90748128
  O     17.14706434      8.37605497    -10.57099105
  H     12.63642661      7.30647293    -13.15419176
  H     14.37181863     10.03065571    -10.69115577
  O     19.24486571      7.62974660    -12.22120597
  H     12.00551730      5.64747264    -14.66091121
  H     13.38390747      9.01909336    -11.30486756
  O     11.70039766      4.52965466    -11.48877675
  H     10.66116125      6.30652843    -14.28360820
  H     13.94074206      8.26333494     -9.17220407
  O     13.01662880      5.02834206    -16.03191339
  H     17.49471497     10.21046753    -13.94645417
  H     13.52209366      6.86341600     -8.66020807
  O     16.78078785      7.30871297     -8.02831118
  H     15.96793035     10.26950555    -14.14420730
  H     14.22653521      8.72789630    -14.17655070
  O     14.53461440      7.08305362    -16.88879075
  H     16.78796287      9.26884865    -10.65379169
  H     15.50390436      8.40885852    -15.00063518
  O     16.92534706      7.22043132    -15.47082059
  H     17.10114300      8.11430334     -9.64243453
  H     16.21185079     11.78036455    -10.76086791
  O     15.40655257      6.52388265    -11.75090327
  H     18.56546633      7.94107430    -11.60555843
  H     16.27675140     10.87002853    -12.00944101
  O     19.01264964      4.81753727    -11.74553090
  H     19.28785240      6.67522146    -12.09866427
  H     11.84768824      5.00369650     -8.37808827
  O     13.62386551      9.45981066    -10.47947049
  H     11.58221728      5.03066185    -12.30349941
  H     12.12940557      5.10702507     -9.89352893
  O     14.16210184      7.57094867     -8.53126849
  H     12.31175496      3.81216678    -11.70040138
  H     17.69147314      4.93389864    -13.08435018
  O     14.79239268      9.05694341    -14.88924697
  H     13.55683035      5.76482848    -16.37006955
  H     16.34621662      5.67832005    -12.99009714
  O     16.04447355     10.89206105    -11.06320436
  H     12.74514822      4.51826630    -16.79106021
  H     14.13845778      4.60524555     -9.55948314
  O     12.49221980      5.30655987     -9.01235352
  H     16.96221010      7.58663843     -7.13521191
  H     14.58029011      3.64875737    -10.69553324
  O     16.90689272      5.16592526    -13.59437237
  H     15.81570569      7.38193912     -8.15599808
  H     14.10620345      2.90732100    -12.82643341
  O     14.90458264      4.30448555    -10.06476452
  H     14.29737328      7.90888033    -16.44867866
  H     13.70227217      1.65291424    -12.01449936
  O     13.73658256      2.60466324    -11.97711756
  H     15.46398383      6.96229942    -16.64584231
  H     14.21330924      4.04627689    -14.90008727
  O     14.74922050      3.54518789    -14.27644498
  H     16.99383241      6.47095258    -14.86383254
  H     15.56035799      4.05158627    -14.12888388
          69
 Energy    -248.55586343303793     
  O     15.93004581      9.33402649    -14.58084526
  H     15.26000078      8.69487431    -14.80710688
  H     16.99637660     11.78528852    -16.16607984
  O     17.80296105     14.98195087    -15.66561891
  H     16.51716528      8.90241194    -13.93397226
  H     20.00861794     10.06987220     -9.38950146
  O     21.95292636      9.95089666    -15.34666465
  H     18.58677085     14.76270113    -16.18363086
  H     19.43980427      9.95036507     -7.95349884
  O     19.26482873     12.94926989     -9.92846249
  H     18.10060605     15.11856074    -14.75707413
  H     20.89593671     12.65954877    -10.75315036
  O     21.24188424      9.76833363    -10.57956671
  H     22.84103395      9.69757818    -15.58690037
  H     22.28793198     13.30547825    -10.92819382
  O     17.19386923     10.00722201    -10.67477910
  H     22.03030228     10.75785323    -14.80748640
  H     18.54190401      8.25226549    -12.89520623
  O     20.15185682     11.48939837    -17.01129907
  H     18.53937252     12.88562034    -10.56571448
  H     17.42230187      8.78319384    -11.97035441
  O     21.17408625     14.83655632    -14.53707573
  H     19.23564468     12.14697496     -9.39219627
  H     20.39882864     14.48003840    -17.94013720
  O     20.05999178     15.56229640    -10.63835918
  H     21.61686846     10.63972580    -10.76124184
  H     20.20223561     13.22049915    -17.06443660
  O     21.81680373     12.23342200    -13.84569576
  H     20.97361033      9.40207103    -11.43228735
  H     23.33980370     17.00737869    -13.58198538
  O     15.29626677     11.98804428    -13.57575892
  H     17.84366353     10.06983600     -9.96377535
  H     22.49964676     15.72853185    -13.73506426
  O     17.58690264     11.03064705    -16.04138373
  H     17.10873693     10.89638111    -11.03256226
  H     19.23290604     15.32546411    -12.22183487
  O     19.29801878     10.37342209     -8.79554480
  H     19.24797145     11.20951666    -16.80812453
  H     18.27587829     14.22736460    -12.72981897
  O     21.78195793     12.50397802    -11.11048065
  H     20.74101388     10.87990934    -16.55336751
  H     23.08887324     15.45737844    -11.58161945
  O     17.58730566      8.25238865    -12.76542410
  H     20.90690997     14.70170720    -15.45534849
  H     23.58062589     15.38586102    -10.11669996
  O     20.18976000     14.19429443    -17.05480508
  H     20.36827894     14.87913848    -14.00082426
  H     20.89982303      9.04549154    -13.90343119
  O     23.18876049     16.14849403    -13.19524641
  H     19.74828826     14.75832160    -10.19930192
  H     19.76037526      9.81431435    -13.23590000
  O     18.83586934     14.95467740    -13.02471418
  H     21.02186714     15.51510163    -10.60619568
  H     18.64283010     11.37162918    -14.55908937
  O     22.92021508     15.04767342    -10.71592911
  H     21.86578467     12.26595974    -12.87931455
  H     19.99256574     11.81055468    -13.88474961
  O     20.30129147      9.01376746    -13.15000824
  H     21.71982023     13.14462207    -14.14955402
  H     15.18356836     13.58078586    -16.71599032
  O     19.10877740     11.46139170    -13.71754465
  H     15.35325493     12.47547541    -14.40711718
  H     16.48224356     13.91683877    -15.94436880
  O     15.81890418     13.22142433    -16.10300618
  H     15.41470930     11.06049683    -13.81511451
  H     18.06476590     12.17445796    -12.55087449
  O     17.41936408     12.64421697    -11.99519295
  H     17.05117866     10.33804526    -15.63088840
  H     16.56410449     12.53394896    -12.43576063
          69
 Energy    -248.55572934619624     
  O     13.55665801      6.85068755    -13.10407979
  H     12.92805991      6.58041298    -13.78288985
  H     17.41689413     10.42719283    -16.30567541
  O     18.10448219      7.60614390    -12.43358612
  H     14.00050203      7.64322938    -13.45145008
  H     14.25470767      9.69930051    -14.54644580
  O     18.51724917      7.50855699    -16.89659018
  H     17.43955022      6.94994117    -12.68657139
  H     15.56504974      9.32176131    -13.79408861
  O     11.12200548      9.25546269    -14.76378559
  H     18.30026322      7.47536076    -11.49741713
  H     12.29577588     11.13639265    -12.34836686
  O     16.19432933      8.81056383     -8.91987819
  H     19.20478491      7.22143771    -17.49178041
  H     13.16132653     11.64009389    -13.51156758
  O     12.93632060      8.06968188    -10.75427217
  H     18.96140560      7.83438605    -16.09321915
  H     17.02583448      5.87531830    -10.04912491
  O     16.84174075     10.03394935    -12.70091155
  H     11.28841580      8.32658079    -14.95983271
  H     16.21894469      5.33582241    -11.24805878
  O     14.25554624      7.60039864    -16.59263930
  H     11.01003907      9.32344021    -13.80693603
  H     10.28681624      9.84511504    -11.36854877
  O     14.32344447      6.62937742     -8.80913651
  H     15.78025721      9.46277499     -9.49890862
  H     11.64367634      9.11196287    -11.44014336
  O     11.98538464      6.57551708    -15.42301823
  H     15.51769741      8.14493848     -8.74233110
  H     19.27994529      9.48890840    -14.65954798
  O     16.43077459      5.89813240    -15.83769138
  H     13.29021380      7.56544315    -10.01195251
  H     19.16676894      8.17838384    -13.84634618
  O     17.02088172      9.94835832    -17.04365208
  H     13.12182162      7.55443611    -11.55510478
  H     16.31159403      5.67291632    -14.04886883
  O     14.80771818      8.95749258    -14.26382651
  H     16.17469632     10.15890753    -12.01259118
  H     15.21358475      6.03443797    -13.03070501
  O     13.07196119     11.67337579    -12.55094033
  H     17.30161560      9.19891090    -12.52961031
  H     19.00060839      7.30839423     -9.02761430
  O     16.22952526      5.38241789    -10.28345973
  H     14.21634665      8.33371126    -17.21685313
  H     17.60747384      7.88911539     -9.37588246
  O     11.04195553      9.69394728    -11.93222186
  H     14.58728057      8.00204483    -15.77265975
  H     14.39369468     10.56158447    -18.65312315
  O     19.56315967      8.56671283    -14.63857325
  H     14.95326334      6.11542036     -9.34663244
  H     15.37787898     10.13214337    -17.53951294
  O     16.13350523      5.74658669    -13.09915976
  H     14.08031028      6.07927508     -8.06950986
  H     14.25688166     10.89793568    -11.41793465
  O     18.30054875      7.27233799     -9.67333515
  H     12.75095316      6.88199585    -15.93909594
  H     14.17755701      9.47540210    -10.84168167
  O     14.43488603     10.16576542    -17.78701860
  H     11.57840411      5.87360884    -15.92405148
  H     18.53297126     12.02278959    -14.57623220
  O     14.75679686     10.24646246    -10.90347653
  H     17.18857718      6.37084155    -16.20461271
  H     17.71817610     10.85022212    -13.98487384
  O     18.24976607     11.12894200    -14.75048399
  H     15.65897894      6.32191207    -16.23122591
  H     13.55064429     10.81577824    -16.20541135
  O     13.20583334     10.94777752    -15.31461754
  H     17.48046057      9.10109020    -17.08777827
  H     12.40096381     10.40936119    -15.23125984
          69
 Ord_Energy   -248.555435    
 O   -4.68886328     -0.554367363       1.94056547    
 H   -4.67269230     -0.938688576       1.05532980    
 H   -5.37552404      0.124579832       1.97014093    
 O   -3.20081878       3.46670032       2.67117119    
 H   -3.28993559       3.13138080       3.57211876    
 H   -2.42966104       3.01610541       2.30474949    
 O   -4.68306541      -1.87151980     -0.565933049    
 H   -3.74539161      -1.90225136     -0.790032744    
 H   -4.93557167      -2.74238658     -0.221713990    
 O   -6.15722895       1.57526803       5.09695292    
 H   -5.20248747       1.75950861       5.09717655    
 H   -6.55053473       2.15883732       5.74168301    
 O   -6.56504726     -0.207187265      -1.56931257    
 H   -6.78479719     -0.419245064      -2.47301221    
 H   -5.89057732     -0.851015151      -1.28569019    
 O   -5.92621469      -2.45784497       3.54955077    
 H   -5.49742842      -1.78622675       2.99804950    
 H   -6.69271135      -2.76742005       3.05235481    
 O   -1.05569780       1.81239009       1.80165052    
 H   -1.36757064       1.51023066      0.927169025    
 H  -0.145101085       2.07342887       1.69943881    
 O   -2.00599003      0.911668062     -0.508991897    
 H   -2.90706062       1.20342314     -0.714063406    
 H   -1.94656348      -2.36187894E-02 -0.731139421    
 O   -5.37874460      -1.11300266       5.89380264    
 H   -5.74447107     -0.241387710       5.71176720    
 H   -5.67295170      -1.67654943       5.16281605    
 O   -8.04405403     -0.646122813      0.811075926    
 H   -7.73584318       6.13150597E-02   1.39217699    
 H   -7.65441418     -0.463233262      -5.30624688E-02
 O   -3.78185296      -4.14723396       2.95965719    
 H   -4.53831720      -3.61808610       3.24983644    
 H   -3.26455688      -4.32354832       3.75813651    
 O   -7.88785887      -3.20264602       1.70733726    
 H   -7.98984146      -2.29643440       1.36440849    
 H   -8.76127148      -3.58252048       1.74451041    
 O   -2.66783714      -1.42746365       5.78748655    
 H   -3.63044095      -1.34787893       5.90003157    
 H   -2.45730877      -1.05071402       4.92291355    
 O   -2.19489336      0.910649896       7.25024366    
 H   -2.14545298      0.788254917       8.19475460    
 H   -2.27070117       2.14729104E-02   6.86853790    
 O   -6.71261930       1.30975008       2.34525132    
 H   -6.37895060       2.12452650       1.94572437    
 H   -6.62628746       1.40099251       3.30297732    
 O   -5.46213675       3.51718831       1.19130647    
 H   -5.69653273       4.42189503       1.00252545    
 H   -4.63887835       3.54201007       1.71170878    
 O   -5.41295147      -4.20829201      0.613011479    
 H   -6.28529835      -4.00411606      0.973244071    
 H   -4.83207750      -4.37293720       1.36748970    
 O   -1.91492009      -1.91600776     -0.868810952    
 H   -1.32570505      -2.46853209      -1.37458038    
 H   -1.81801319      -2.17830133       6.53530732E-02
 O   -3.43600297       1.91468763       5.00937796    
 H   -3.00615239       1.74437261       5.85950708    
 H   -3.11401320       1.22628677       4.41227102    
 O   -4.59634209       1.77481341     -0.919210494    
 H   -4.93162298       2.39330673     -0.260159910    
 H   -5.33607578       1.20971012      -1.16906285    
 O   -2.37806368     -0.118986167       3.29718900    
 H   -1.83300591      0.516569436       2.81311178    
 H   -3.19129848     -0.267564207       2.78563857    
 O   -1.81698167      -2.52975512       1.75493956    
 H   -1.82435906      -1.76201129       2.33470964    
 H   -2.46953058      -3.14264441       2.12132907    
 O   -2.32935667      -4.17001867       5.31559467    
 H   -1.55397618      -4.50838280       5.75620174    
 H   -2.39924908      -3.23827791       5.57459927    
          69
 Energy    -248.55541862066408     
  O     12.96808834      9.78813437    -16.09220319
  H     12.28009027      9.30869460    -15.61108537
  H     16.91795159      5.22644270    -14.48940820
  O     16.46106465      6.12926051    -12.92339342
  H     13.55928342     10.12215417    -15.40972410
  H     19.69625153      7.73111028    -14.67082399
  O     17.12295616     10.52079749    -12.10947815
  H     15.60776080      6.21042221    -12.47661224
  H     21.07391396      7.82616643    -13.97179663
  O     17.91716242     11.26175040    -16.77186805
  H     17.10134747      6.67277618    -12.44345347
  H     14.72883701     11.93536682    -16.76229933
  O     14.41416091      5.30807349    -16.49994939
  H     16.32634615     10.57990757    -12.65218450
  H     16.22017408     11.84564365    -16.37510378
  O     13.76813918      9.56224712     -9.67994354
  H     16.85722909     10.70692290    -11.19976175
  H     16.22890221      7.47795932    -14.12509970
  O     13.97303638      6.58555360    -11.83138046
  H     18.28540260     11.04399216    -15.89666275
  H     17.16235739      8.10029429    -15.17365267
  O     14.97153821     10.42854815    -13.92614886
  H     18.55763154     11.82236898    -17.20353951
  H     11.73579939      7.42460201    -14.40990035
  O     17.44781440      8.68288575    -17.93958041
  H     14.10420448      4.78806676    -17.23799316
  H     10.34186090      8.09951937    -14.37966010
  O     14.56691077      6.85666135     -9.11129381
  H     14.51129649      6.21964322    -16.82272723
  H     16.87304741      8.93246967     -9.22462507
  O     18.66541153      7.21965421    -15.96536492
  H     13.89387301      8.64906980     -9.39400533
  H     17.57806814      7.85291299    -10.06498610
  O     17.08407639      5.03145996    -15.42297226
  H     13.39246796      9.51489720    -10.56924262
  H     13.30468918      5.67216116    -14.97524403
  O     20.16384564      8.10122231    -13.90027129
  H     14.10649340      6.53856414    -10.87621479
  H     13.15543116      5.97227737    -13.45427596
  O     15.34187418     12.08457322    -16.04301839
  H     13.68114107      7.48895971    -12.01881014
  H     18.36027179     10.72676746    -13.53069082
  O     16.30381820      8.21276757    -14.74815837
  H     15.46261572      9.64849298    -14.23541968
  H     19.43971629      9.84286315    -14.18426692
  O     11.27686147      8.28460145    -14.39072878
  H     15.12188983     11.14201492    -14.56377536
  H     18.99740866      7.92857494    -12.42684564
  O     17.03298470      7.98207253     -9.27803520
  H     16.50650062      8.48063916    -17.86940764
  H     17.83449851      8.82530024    -11.94616875
  O     12.69227429      5.98857838    -14.30129802
  H     17.55997982      9.58698141    -17.61935685
  H     15.29341390     10.38853449     -9.53244592
  O     18.89777295     10.62801542    -14.32648438
  H     14.49309291      6.31648634     -8.32938538
  H     16.19706096     11.42564238     -8.82127003
  O     18.24819108      7.95872420    -11.81983130
  H     15.48428423      7.18335249     -9.14286896
  H     13.69378366      9.69625623    -12.87143064
  O     16.20362198     10.73152609     -9.47467852
  H     18.37201209      7.64695326    -16.78264304
  H     12.32791584      8.96793557    -12.98172731
  O     13.04249647      9.18529861    -12.37054992
  H     18.18704245      6.38166401    -15.86735498
  H     14.08293030      8.58270198    -16.92390312
  O     14.81432398      7.96790546    -17.06943697
  H     16.21280270      5.00494414    -15.83467136
  H     15.34370934      8.00877058    -16.25758178
          69
 Energy    -248.55532960354452     
  O     15.50480545      8.35798953    -16.11102965
  H     15.90256445      8.40315138    -16.99085207
  H     20.79280114      4.87183357    -16.06914651
  O     14.02709737      4.56074294    -16.54939531
  H     15.96660912      8.97643992    -15.53137458
  H     19.64519246      6.62770708    -17.46970170
  O     17.94113634      6.27083833    -12.66015522
  H     13.33796059      4.05320404    -16.97223825
  H     18.43519372      6.80819087    -16.50895430
  O     20.62455771      5.14420478    -17.95424658
  H     13.63614188      5.42189308    -16.31485482
  H     17.42451277      6.34435529    -14.42583288
  O     18.40195411      3.64287381    -17.95528505
  H     17.72581443      5.33248576    -12.56732664
  H     16.46564107      6.82712803    -15.55390946
  O     12.52011590      5.97377026    -10.53888501
  H     18.89663944      6.37183869    -12.75016265
  H     13.87279291      7.56759903    -15.94850591
  O     14.54999148      4.27191564    -13.76071714
  H     21.23709901      4.88266995    -18.63509385
  H     13.11751348      6.96773131    -14.75967307
  O     15.98240677      8.09016765    -12.18626686
  H     19.84610013      4.55998828    -18.03319489
  H     16.33313723      3.65490182     -9.05817231
  O     18.05702732      3.57284946    -15.15082794
  H     17.59914797      4.11968114    -18.21418970
  H     15.82899182      4.86791284     -9.87455589
  O     13.49715953      3.52996607    -11.22403413
  H     18.26341007      3.36446092    -17.04150027
  H     21.43316200      6.70043084    -12.79923865
  O     19.39792682      8.82748820    -14.80528104
  H     11.66040729      5.95116615    -10.12857178
  H     20.68374320      6.00495054    -13.96242476
  O     20.62162398      4.74542808    -15.12888261
  H     12.76173299      5.05256236    -10.74495608
  H     16.12726768      3.85081063    -13.01801495
  O     19.01551977      7.27587836    -17.13121846
  H     14.44852546      4.22103919    -14.71790600
  H     16.75010577      3.61884840    -11.61969498
  O     17.17298786      6.20485116    -15.34864719
  H     14.27277306      5.16372696    -13.50486113
  H     14.28717370      6.45962670     -9.97120582
  O     13.13492128      6.98185340    -15.72622168
  H     16.22258447      8.81675478    -12.77138767
  H     15.52522425      7.18933691    -10.52701425
  O     16.03111359      3.91658319     -9.92377576
  H     16.69918207      7.44140764    -12.27627087
  H     15.43200600      4.97368823    -17.79017282
  O     20.61908665      6.71252627    -13.29471672
  H     17.77692947      3.34934607    -14.25573887
  H     16.21244056      6.08933200    -18.52531207
  O     16.96459789      3.67485357    -12.55883680
  H     17.65165604      4.43369124    -15.34142466
  H     14.42352136      7.30900783    -12.73298936
  O     15.24565848      6.53426654     -9.87649307
  H     14.32462989      3.48926150    -10.72792465
  H     13.14148791      6.62488777    -12.17743637
  O     16.11653118      5.13481309    -18.45172455
  H     13.75295340      3.59493151    -12.15377153
  H     17.85289192      9.52398160    -14.38664929
  O     13.63816619      6.80351640    -12.98482574
  H     19.37941218      8.41881728    -15.68089939
  H     17.04647965     10.82020933    -14.14445796
  O     16.96027287      9.87263656    -14.21204893
  H     19.87737029      8.20902281    -14.24162338
  H     16.97363608      8.42149316    -19.40161264
  O     16.80445717      8.01341377    -18.55658084
  H     19.80354518      4.23245413    -15.07941155
  H     17.66948701      7.80974358    -18.16097986
          69
 Energy    -248.55530307110513     
  O     -7.81663542     -2.00932025      6.20635258
  H     -8.28890916     -1.25057342      6.56959871
  H     -3.05616828      0.83712355      1.50106876
  O    -10.68590785     -1.96033566      2.86242663
  H     -6.87457400     -1.81195344      6.26608975
  H     -7.31634349     -0.59902436      3.16924953
  O     -8.67743234     -3.54957025      4.14637340
  H    -10.09423858     -2.59004036      3.29000515
  H     -7.00875973      0.55478101      4.18110192
  O     -5.81983402      0.60983087     -0.05642766
  H    -10.69862970     -1.18876234      3.44501543
  H     -4.71688720     -1.58251701      5.26641040
  O     -5.83810778      1.17265247      5.50754907
  H     -8.40502381     -3.01438072      4.91392142
  H     -4.35396657     -1.77947489      6.75988395
  O    -10.60337489      1.85022558      0.63499384
  H     -8.78571375     -4.44334629      4.45980884
  H     -1.43802021      3.07598989      1.89765933
  O     -9.31378063      0.26245771      7.14195711
  H     -6.21948084     -0.24010535     -0.27643832
  H     -2.85481168      2.75530835      2.41864974
  O     -4.37048153     -1.79227871      3.60283310
  H     -6.54013649      1.11013714      0.35682019
  H     -8.48911627      5.21600434      4.22962947
  O     -4.60402710      3.33593992      0.05735399
  H     -5.19220843      1.60836166      4.93586219
  H     -7.60098554      4.22381613      3.46009440
  O    -10.19936657      0.28887602      4.47184621
  H     -5.45866990      0.34357972      5.82464277
  H    -10.60504000      1.91141695      3.71581957
  O     -7.40737744     -1.76510600     -0.23054322
  H    -11.20746884      2.33665599      0.08115431
  H     -9.89876911      3.26658572      3.48104088
  O     -3.76081570      0.23173580      1.75469986
  H    -10.71900096      2.18738671      1.54198310
  H     -7.50912997     -2.79644575      2.92977550
  O     -7.60107458      0.27285467      3.47392824
  H     -8.89614208      1.11605254      6.92633653
  H     -7.05851243     -2.18674805      1.54872860
  O     -5.00407515     -1.39397699      6.17937403
  H     -9.73940181      0.37131921      7.98802595
  H    -10.20389640     -1.34205310      1.24850433
  O     -2.27560739      2.69805413      1.64159960
  H     -4.00521796     -1.14328349      2.98902653
  H    -10.20203343     -0.02309426      0.44276110
  O     -8.34160229      4.28336559      4.08310140
  H     -5.20198025     -2.07958914      3.19818251
  H     -8.22251562      3.15274998      5.66119226
  O    -10.64136466      2.72496617      3.19217670
  H     -3.72226010      3.18604865      0.41913636
  H     -7.20308733      2.12244165      6.17490021
  O     -6.85566397     -2.23617909      2.49096580
  H     -4.93060721      2.46814832     -0.20716203
  H     -4.30274229      1.53913714      2.96579697
  O     -9.86227108     -0.92373526      0.44366485
  H     -9.30123525      0.25777339      4.10681359
  H     -5.05252785      2.89743443      3.10763252
  O     -8.05437753      2.53726003      6.38231099
  H    -10.09260232      0.23804934      5.42834607
  H     -8.79732459      1.88108208      0.95039442
  O     -4.35438833      2.34977118      3.49471351
  H     -8.30518418     -1.43480456     -0.03603861
  H     -7.86470212      1.27063847      2.04720258
  O     -7.88762012      1.84427781      1.26526569
  H     -7.49723296     -2.39606806     -0.93956993
  H     -6.97298237      3.18738631      1.86848216
  O     -6.33528523      3.85226566      2.17747988
  H     -4.45972094      0.30749344      1.08718306
  H     -5.71586851      3.94060034      1.43988478
          69
 Energy    -248.55516257464626     
  O     -5.83879438      2.67000285     -0.20369072
  H     -4.90226634      2.87865779     -0.31327252
  H     -0.24734689      0.32914370      4.08943824
  O     -4.29634045      0.73919235     -3.56033674
  H     -6.10614812      3.03144637      0.65117003
  H      0.02678269      2.31051856      3.04101328
  O     -6.39392605      3.51164170      2.40927532
  H     -5.10407435      1.21976192     -3.31919447
  H      0.09284449      1.95538680      1.54861869
  O     -2.96494106     -2.03205940      3.09300541
  H     -3.56099039      1.35144271     -3.46318276
  H     -3.03248368      2.23991485      0.17733901
  O     -4.21746587     -1.46074302      0.64577088
  H     -6.97887719      4.17432403      2.76632281
  H     -2.60225097      3.72229556      0.12146748
  O     -5.58473344     -1.75196732     -3.47646019
  H     -5.49026897      3.75707780      2.67959424
  H     -1.22413710      0.52871105      0.84355315
  O     -6.55787389     -0.01090445      0.29938117
  H     -3.57040736     -1.59019077      3.69909836
  H     -0.27265748      0.20675123     -0.33310325
  O     -3.15767980     -1.25227099     -1.88847983
  H     -3.40785019     -2.01809502      2.23389024
  H     -8.56967484     -1.16890839     -2.40724546
  O     -0.36595928     -1.04536292      3.08062748
  H     -3.82474717     -1.49645671     -0.23838219
  H     -7.03873972     -1.18309371     -2.61741498
  O     -0.59878736      0.02709928     -2.19757969
  H     -5.09280333     -1.06190878      0.54798523
  H     -3.52384373      0.89940239      4.37679419
  O     -4.74594875     -0.42859337      4.70511640
  H     -5.21329330     -0.91713302     -3.79788043
  H     -2.05758440      1.45131216      4.31448734
  O     -0.26339325      1.17765048      4.57205356
  H     -4.87328718     -2.13355217     -2.95346760
  H     -6.52376012      1.66418209      2.90442927
  O      0.05204456      2.70293221      2.16036492
  H     -6.26305239      0.88783311      0.09371709
  H     -6.65633523      0.33948791      2.13384482
  O     -3.04689508      3.03195496     -0.38589809
  H     -7.06199446     -0.31943861     -0.46293986
  H     -3.39582821      0.08154596      1.13529221
  O     -0.29347250      0.37745432      0.61372310
  H     -2.22377337     -1.02751074     -1.95527899
  H     -2.95087643      1.12031967      2.22062990
  O     -7.76030467     -0.74481297     -2.13459692
  H     -3.62049493     -0.56369146     -2.38761064
  H     -1.01250247      3.98642569      1.68319012
  O     -2.96241811      1.59357628      4.00803953
  H     -0.21101506     -0.73972062      2.17877811
  H     -1.17840929      5.49955433      1.41079952
  O     -6.52833818      0.70638591      3.01813916
  H     -1.23986804     -1.46471136      3.08999949
  H     -6.48911041      2.26995154     -1.89335634
  O     -2.92499608      0.91222902      1.27833728
  H     -1.03428153      0.85235094     -2.46302414
  H     -7.19653417      1.08075232     -2.58007515
  O     -1.64562347      4.66888258      1.39371856
  H      0.03557800     -0.18205358     -2.87965516
  H     -3.54236921      3.23266086      3.53295018
  O     -6.66284121      1.86511299     -2.75459098
  H     -5.19849088     -0.73912197      5.48448095
  H     -3.13454252      4.36353732      2.56810525
  O     -3.85741893      4.05186447      3.12273653
  H     -5.42728109     -0.06074967      4.11323810
  H     -1.80365809      3.15054549     -3.28882473
  O     -2.03705966      2.35230495     -2.82141560
  H      0.29577666      1.07232709      5.33597545
  H     -2.40411213      2.62635509     -1.96255446
          69
 Energy    -248.55516004324966     
  O     16.16956548     11.25786914    -15.78776116
  H     15.24493539     10.96873483    -15.83863903
  H     19.14740164      5.85759931    -16.60959715
  O     14.00542984      5.95690990    -15.73639741
  H     16.57958036     11.05910513    -16.63561462
  H     19.55727179      8.03928489    -17.56150821
  O     18.22782400      7.86444672    -12.45116308
  H     13.61295902      6.57428752    -16.36730926
  H     19.76930044      8.69832274    -16.18198499
  O     19.47777807      6.29220595    -18.36966993
  H     14.39564778      5.22375747    -16.23004434
  H     16.50013650      8.05834150    -14.99560467
  O     16.88540029      5.68033763    -18.82215904
  H     19.03803835      7.86942577    -12.97081905
  H     15.66603252      6.82871895    -15.48992798
  O     14.36256525      9.10879497    -10.17105499
  H     17.63902082      8.50399871    -12.88441420
  H     13.36982557      9.41144700    -16.17777835
  O     14.04921028      6.25641699    -13.00823673
  H     18.56555142      6.04976766    -18.61198898
  H     13.55818898      9.80680933    -14.69573481
  O     16.51700415      9.43295785    -13.82424437
  H     20.04602323      5.94073251    -19.04930416
  H     16.60903056      6.33725167     -9.62967288
  O     17.08488999      3.92775066    -14.73862731
  H     16.42043562      5.07645501    -18.23091422
  H     16.69056403      4.98329347     -8.88066210
  O     13.69496687      6.46367532    -10.21936684
  H     16.45587018      6.54218109    -18.73339021
  H     14.13915606      8.11902548    -17.85195572
  O     15.52496815      3.94841174    -16.95174254
  H     14.05382058      8.18642290    -10.11238386
  H     12.64280873      8.11722885    -18.25001774
  O     18.85235955      5.84711581    -15.69054082
  H     13.93066794      9.58904243     -9.46920280
  H     21.20938262      7.58286193    -14.31462833
  O     19.51781081      8.88271393    -17.09262847
  H     13.87396762      6.04632835    -13.93481710
  H     19.86162155      7.01231535    -14.81502673
  O     16.49890941      7.30374821    -15.60021331
  H     14.96422044      5.99339048    -12.83211552
  H     16.58173345      5.30184314    -11.48444880
  O     13.61142189     10.14234112    -15.60003831
  H     16.52059355     10.16389926    -14.46000708
  H     17.24636181      6.27431343    -12.49069987
  O     16.29628936      5.41335950     -9.63408586
  H     15.61831039      9.35972388    -13.47610777
  H     17.53727772      8.06192364    -10.71556120
  O     13.23738425      7.97048881    -17.51874586
  H     16.87489613      4.33130404    -13.88655070
  H     16.22883079      8.52718973    -10.01921750
  O     20.28680165      7.79862396    -14.43085902
  H     17.85370846      4.41968618    -15.05869888
  H     17.96385339     11.09343290    -18.75037367
  O     16.67277694      5.49820991    -12.42562792
  H     13.62351268      6.29234590    -11.16864016
  H     18.30084884      9.94454634    -17.77097849
  O     17.03169849      8.00730311     -9.89319615
  H     14.47626982      5.97927385     -9.92433458
  H     13.99166675      9.24498712    -12.01807702
  O     17.56844348     10.43582503    -18.18457376
  H     15.27570705      3.05953268    -17.19165501
  H     13.89293377      8.07027557    -13.01280847
  O     13.91946775      9.03669276    -12.95792477
  H     16.07312879      3.87788290    -16.14868395
  H     16.39184014      9.02140877    -18.31695486
  O     15.89277256      8.21636948    -18.13327231
  H     18.02069878      6.34967643    -15.65885958
  H     16.16471096      7.93210877    -17.24577716
          69
 Energy    -248.55508431227088     
  O      9.86821033      6.02660684    -11.27294446
  H     10.42941601      6.76218661    -11.57084102
  H     16.37206301      5.46610977    -16.66136015
  O     15.29985790      2.16237986    -12.13300280
  H      8.96535769      6.28401318    -11.44410094
  H     15.46010203      3.87051514    -15.50602712
  O     16.35046653      7.33518957    -12.05186614
  H     14.40907412      2.15838483    -11.76218481
  H     16.08047863      4.11116173    -14.11137049
  O     16.18111317      8.84622021    -15.36911118
  H     15.23040153      2.47655187    -13.04315680
  H     15.30883149      9.06608312     -9.81655291
  O     17.41768159      3.36269805    -10.96617496
  H     15.97196486      8.14746191    -12.41410957
  H     13.81585598      9.44743216     -9.86817688
  O     13.49240504      4.60816517     -9.55644615
  H     16.58423946      7.51452653    -11.13140135
  H     14.68669310      6.58650361    -11.83799350
  O     12.72177221      2.26250842    -10.94651742
  H     15.89707862      9.21797345    -14.51830770
  H     13.58752304      5.77266682    -12.59322432
  O     15.10242495      9.63540864    -12.97337360
  H     16.33714519      9.59085573    -15.94626131
  H     10.68168561      4.53296233    -12.09799648
  O     13.98755693      7.05519250    -15.90663986
  H     18.05998519      2.70345106    -10.71637145
  H     11.73212185      4.24529732    -13.19925213
  O     11.42521425      6.36789740     -8.84223194
  H     16.65178396      2.88222166    -11.33080587
  H     16.49458863      6.85268717     -9.15413203
  O     17.54966232      6.34810099    -15.72767298
  H     13.23854408      3.74071816     -9.89240968
  H     17.39920450      8.04225407     -8.75433890
  O     15.61280361      4.99643354    -17.05398101
  H     13.59171584      5.18023086    -10.33490643
  H     11.61139897      9.53111741     -8.63507830
  O     15.40497624      3.59852207    -14.58214842
  H     12.23596350      1.48883011    -10.67357614
  H     11.88042923      8.05913109     -9.02382975
  O     14.67717566      9.65234902    -10.25069115
  H     12.12953777      2.77752749    -11.52382544
  H     17.53193841      4.49197855    -12.47167573
  O     13.79518201      6.22609543    -11.76435468
  H     14.94732108      9.79262704    -12.03024389
  H     17.01378708      5.90348819    -12.82527172
  O     11.18678164      3.82720603    -12.51927720
  H     14.23461068      9.53368242    -13.39421404
  H     15.26504661      4.90802156     -9.11661171
  O     16.67069324      7.79715295     -9.31832169
  H     14.70131835      7.67927274    -15.72027713
  H     16.65344294      4.55125491     -9.69323172
  O     12.06941355      8.98303310     -9.26681832
  H     14.39717847      6.35645955    -16.43336401
  H     13.84088766      4.44669937    -14.28215534
  O     17.34266409      5.07805790    -13.21391174
  H     12.14010178      5.72155088     -8.92063635
  H     13.27171878      5.80199456    -14.75412657
  O     16.19837262      5.15919137     -9.09857963
  H     10.79597392      6.14333060     -9.53764938
  H     12.45904243      7.40340710    -11.82137573
  O     13.10388060      5.06180339    -14.15695610
  H     17.66134432      5.91159305    -14.87240212
  H     11.72778936      8.52883260    -11.06400222
  O     11.69355028      7.99880354    -11.87011202
  H     17.22002099      7.23612492    -15.54179165
  H     12.87389437      8.39582427    -14.87795004
  O     12.71964902      9.10277727    -14.24251795
  H     15.86689348      4.74938478    -17.93890951
  H     12.21320839      8.72356391    -13.51077462
          69
 Energy    -248.55495754863205     
  O     10.78486734      9.66175066     -9.09403757
  H     11.59641108      9.82601383     -8.59975699
  H     10.38587344     11.35507795    -11.81820162
  O     13.20121151      8.90706212    -17.05569410
  H     10.87559354      8.80322354     -9.52542096
  H     12.76480804     13.32747637    -13.73558683
  O     11.17970790      7.29090468    -10.66759928
  H     13.59579672      8.83364975    -17.92048982
  H     13.42432133     12.00320178    -14.16607960
  O     14.10551539      8.34740684    -14.45143031
  H     12.83970706      9.80906894    -16.98816766
  H     16.34334352      8.23552100    -12.00473005
  O     13.83316860     12.78723406     -9.16645377
  H     12.14199648      7.43323678    -10.59378324
  H     15.38253866      7.78227618    -13.15125934
  O     12.00623920     11.33648451    -16.77263517
  H     11.01400676      6.38196491    -10.43081275
  H     14.04419236     14.36938655    -11.94210139
  O     11.52773569      8.27834582    -13.33277636
  H     13.24989426      8.25017983    -14.00813637
  H     12.54586009     14.42102583    -11.61992385
  O     15.40760433      9.11031437     -8.64668108
  H     13.91346529      8.46127671    -15.39066638
  H     13.60857503      8.97557240    -10.76914792
  O     13.31474204     10.76872640    -11.09747059
  H     13.02219987     13.27234451     -9.37566858
  H     14.43445428      7.72066499    -11.19995608
  O     13.17545700     10.60797651     -7.60589431
  H     14.55061080     13.25141514     -9.61796728
  H     16.12330756     11.60480069    -12.68828577
  O     15.64281213     14.07030900    -10.84737773
  H     11.06982929     11.14480584    -16.64206164
  H     16.99257941     11.12028545    -11.51508900
  O     10.59391401     11.65771207    -10.92441135
  H     12.26543913     11.90612864    -16.03585504
  H     11.28669320     11.51085707    -13.81056199
  O     12.65720259     12.57180239    -14.32915283
  H     11.30992834      7.91101235    -12.46939670
  H     10.02331686     10.78204721    -14.34241287
  O     15.78507657      7.51299487    -12.31453544
  H     11.21291295      9.19352262    -13.34769363
  H     14.55428691     10.01067939    -13.91532349
  O     13.17373936     14.43602065    -12.35175481
  H     14.77184597      9.63714616     -8.15115345
  H     14.20430623     10.84381486    -12.65515740
  O     13.74506897      8.03235576    -10.59475469
  H     14.85856080      8.54022319     -9.20391539
  H      9.75690575      9.46656729    -16.09048096
  O     16.73483226     11.91161552    -12.00436641
  H     13.69273370     11.39028783    -10.46407257
  H      8.53753570     10.33941561    -16.47793440
  O     10.57360939     10.90401164    -13.55923343
  H     12.37789879     10.99499870    -11.14019080
  H     18.07756475      9.13835454    -10.37986026
  O     14.65673195     10.88199922    -13.51248028
  H     13.03323597     10.84863284     -6.69286232
  H     16.63641138      9.40648667     -9.90534716
  O      9.38553392     10.36618313    -16.04408022
  H     13.42402492     11.42480815     -8.06969537
  H     11.08183482     13.21350596    -10.37525701
  O     17.23635715      9.48724518    -10.66617620
  H     16.09291992     13.31702607    -11.27172058
  H     10.78688449     14.58814187     -9.72447945
  O     11.49132761     14.03832178    -10.05589324
  H     16.28524311     14.77135860    -10.78086549
  H     10.91647357      7.89215113    -15.07636089
  O     10.69044111      7.98168732    -16.01240613
  H     10.49695621     10.92983282    -10.29095192
  H     11.52732381      8.14133476    -16.46664429
          69
 Energy    -248.55492413029268     
  O     -5.28352314     -1.58342291     -0.96648499
  H     -5.48884708     -0.89455048     -0.32302510
  H     -0.00340368     -2.00503932     -1.46569581
  O     -2.15935073     -1.15063980     -4.37255791
  H     -5.11952050     -2.39155549     -0.45594977
  H      0.99823469     -5.89198829     -1.51616634
  O     -1.73529788     -6.27074102     -0.08029323
  H     -2.43055292     -0.71287322     -3.55054324
  H      0.11098799     -6.21878056     -0.30387493
  O     -4.20057308     -3.98003893      3.06433625
  H     -1.26904078     -0.85283882     -4.54693507
  H     -0.57273095     -3.25112394      1.90298395
  O     -3.51816825     -7.45629231     -1.96482837
  H     -1.87164101     -5.40935188     -0.50767627
  H      0.81604633     -2.85182124      1.33369336
  O      2.17255132     -3.75761447      0.42194921
  H     -2.30079686     -6.87525877     -0.57214893
  H     -2.67493045     -3.85464594     -2.13077052
  O     -3.20990293     -3.64906215     -3.87944309
  H     -4.69897924     -4.24942386      3.83057982
  H     -1.79298215     -3.12962519     -1.07789965
  O     -1.39053745     -0.25934766      2.48401367
  H     -4.14982493     -3.00669267      3.08482422
  H     -2.34685743     -6.59645660     -3.22218999
  O     -5.52526795     -5.61001239     -1.76021795
  H     -3.90048865     -8.31803332     -2.10864077
  H     -2.32312482     -5.25553369     -3.98681111
  O     -5.89745143     -3.10396533     -3.20749804
  H     -4.26106329     -6.82916860     -1.91923964
  H     -1.65254914     -5.32984496      1.55551532
  O     -2.87621106     -0.28287599     -1.82394615
  H      3.04811861     -3.96605806      0.73648671
  H     -2.45627536     -4.50169832      2.58899463
  O     -0.73248649     -1.69106646     -0.90909696
  H      1.76746827     -4.60096738      0.14637105
  H     -0.14264423     -5.65327366     -3.49944756
  O      1.01558265     -5.99217281     -0.55563123
  H     -4.15534893     -3.49205307     -3.77128353
  H      1.29373273     -5.79923261     -4.04156157
  O     -0.01886068     -2.49175229      1.65736665
  H     -2.81153185     -2.80920884     -4.15115544
  H      1.14783629     -3.68091354     -2.65885595
  O     -2.40700101     -3.86281673     -1.20307995
  H     -0.89151023      0.21462266      3.14569747
  H      1.78354418     -3.10686389     -1.37679951
  O     -1.80541757     -6.05246140     -3.80558766
  H     -0.85521832     -1.03195807      2.23979044
  H     -3.82830002     -3.94174136     -0.11692499
  O     -1.57255163     -4.64278521      2.22937439
  H     -5.35210929     -5.14482922     -0.92894194
  H     -4.56800650     -4.03410137      1.25992220
  O      0.78690244     -5.42229174     -3.32685127
  H     -5.77136837     -4.91472769     -2.37878667
  H     -4.59659734      0.76769316      0.90318825
  O      1.35360093     -2.85395073     -2.20394753
  H     -6.60340794     -2.73293110     -3.73117715
  H     -6.06401587      1.05729313      1.30310600
  O     -4.70000398     -3.94712790      0.30965994
  H     -5.75680807     -2.49737332     -2.46192598
  H     -2.83328547      0.86237346     -0.32853341
  O     -5.46165098      0.35345924      1.07806547
  H     -3.66483164     -0.78239575     -1.57527418
  H     -2.32581505      0.78123250      1.13315503
  O     -2.95716056      1.22933057      0.55760765
  H     -2.10300710     -0.76376452     -1.48414446
  H     -3.12636714     -0.93410969      2.83849773
  O     -4.01491416     -1.29703021      2.94055662
  H     -0.49657828     -1.88474141      0.00687819
  H     -4.58877520     -0.77399071      2.36913184
          69
 Energy    -248.55470192374969     
  O     14.17406643      9.22111913    -10.35699433
  H     13.88413892      9.87471703    -11.00776134
  H     17.34772352      4.54847483    -11.74632817
  O     14.05532569     10.39304368    -16.16415894
  H     14.80887275      9.62741412     -9.75383501
  H     13.18248113      7.74297411    -10.05949252
  O     16.20117686     11.23695466    -13.18771859
  H     13.45000567      9.82309400    -15.67683586
  H     12.42535560      6.67663348    -10.87666667
  O     13.73854400      4.52385927    -13.26597456
  H     14.01666370     11.25095937    -15.72227438
  H     18.17710106      8.52428480    -14.95124962
  O     16.91815396      7.33186491     -8.56700184
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  H     18.53335452      7.04334405    -14.65062900
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  H     16.77951125     11.25252132    -12.41135065
  H     15.08634282     12.38252635    -14.07613100
  O     13.47544427     10.69571658    -12.57128759
  H     14.26794213      4.50349672    -14.06949096
  H     14.35911027     13.66012120    -14.54945105
  O     18.51375635      8.45825983    -11.76811537
  H     14.37267273      4.53936264    -12.53455744
  H     13.67197132      8.15124741    -14.38606934
  O     17.68446161     10.95289107    -10.93070588
  H     16.20707083      6.67995218     -8.57274686
  H     12.32262388      7.88837061    -13.70561814
  O     18.14818473      5.14222232    -14.81947526
  H     17.66250182      6.94154984     -9.03998161
  H     12.47998462      5.68549129    -12.92459966
  O     15.45353890      4.96504551    -15.56050933
  H     16.76836070      7.94226911    -11.81733752
  H     10.96602476      5.94399872    -12.75561675
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  H     15.28702742      8.14242611    -11.35192751
  H     14.34354890      4.99707835     -7.95054763
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  H     13.43990204     11.49236766    -13.11101289
  H     13.97944971      5.94745708     -9.11678691
  O     18.77070491      7.95535297    -14.44610768
  H     13.17618491      9.96257231    -13.13089893
  H     15.34251803      4.91199786    -10.34668564
  O     14.25731345     12.71616392    -14.46010474
  H     18.88497364      7.75736378    -11.21997755
  H     15.72201223      5.86766432    -11.49494347
  O     12.81228422      8.55744721    -14.19951710
  H     18.72782485      8.28071215    -12.69669945
  H     18.89258173      5.64505455    -10.75367872
  O     11.82089469      6.36292577    -12.68921980
  H     18.10974803     10.12674316    -11.20711037
  H     19.97025490      6.00239757     -9.70237067
  O     14.71605173      5.47583194     -8.68574190
  H     17.23432144     10.74229385    -10.10508837
  H     15.50246432      7.44796274    -13.60656542
  O     15.63026353      4.92872326    -11.26700867
  H     17.23123683      4.99173358    -15.09457982
  H     15.82189739      8.18158656    -14.93783495
  O     19.14864214      6.30228147    -10.08195659
  H     18.69700132      4.63012617    -15.41042007
  H     16.28724899     10.31344617     -7.76128813
  O     15.31733326      7.45026524    -14.55807418
  H     15.35010624      5.88582567    -15.25429679
  H     16.53392452      9.02997195     -8.58855697
  O     16.25424788      9.96188787     -8.64687860
  H     15.06328137      4.91803771    -16.42988387
  H     16.67700497     10.22180394    -14.65660882
  O     16.66617721      9.66959182    -15.45272892
  H     18.30169702      4.76908574    -12.94010738
  H     15.85642056      9.92178327    -15.92009168
          69
 Energy    -248.55456635180190     
  O     15.35554399     10.27311641    -16.36271849
  H     16.07798717     10.91075757    -16.33377949
  H     18.94171192      9.02593898    -17.16660687
  O     16.73505101      4.60832517    -13.83494797
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  H     16.14904545      8.98253511    -15.30959166
  O     16.80851431     13.35425618    -10.98423557
  H     15.85346966      4.96057871    -13.61597475
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  O     19.30169246      8.31123021    -14.19266897
  H     16.74402622      3.69624604    -13.55574798
  H     13.87005257      9.96632650    -15.34443541
  O     14.23292882      6.22011043    -17.31307592
  H     16.67259917     14.27457415    -11.19417921
  H     13.46390271     10.03259922    -13.85924925
  O     17.07673501      9.82387131     -8.52706528
  H     16.83698255     12.87515909    -11.82919557
  H     16.70659318      7.93648064    -11.11399806
  O     15.40141014      8.09471192    -12.30487442
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  H     17.34424579      8.43118927     -9.78566360
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  H     11.69834094      6.97341640    -15.10010573
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  H     18.94926290     11.10703052    -10.56405211
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  H     18.17311948     12.34427896    -10.08385059
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  H     17.21782157      9.78234003     -7.58467445
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  H     15.59937348     10.82721850     -9.31533601
  O     17.52145969      7.92463543    -10.58730593
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  H     15.56954231     12.16958871    -10.06540702
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  H     17.17496823     11.80785422    -14.13263402
  H     17.87135419      6.85835184    -17.43007240
  O     18.72026534     11.61292430     -9.77160700
  H     13.71690052      6.10170302    -13.95415344
  H     18.84348795      6.95795989    -18.62586684
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  H     14.44356530     10.92585850    -11.44123603
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  H     15.22377974     11.04223734    -12.76835594
  O     18.25563340      7.47247189    -18.07754868
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  H     17.98941452     12.60140441    -16.41021640
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  H     18.27029084     11.09808514    -16.18598769
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  H     16.53304422      8.20943746    -18.47022029
          69
 Energy    -248.55451647345566     
  O      1.73785602      1.39896563     -5.80568268
  H      1.55560812      0.50970201     -6.09718532
  H      3.54459515      6.79808418     -2.09773599
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  H      6.26728390      7.91089038     -6.04682875
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  H      5.14246339      8.73816925     -5.32654868
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  H      7.77802779      7.63042894     -8.11383114
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          69
 Energy    -248.55441839241422     
  O     -0.73997079      0.23098285      1.02050914
  H     -0.83554733     -0.72661008      0.94565361
  H     -3.21786579     -1.68505652      3.88773069
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  H      2.45163889     -0.98744239      1.52902991
          69
 Energy    -248.55423183411455     
  O     21.15393851     11.61504465    -18.49017536
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  H     19.87048653     17.28030847    -17.21647178
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  H     19.09841736     15.46079417    -18.49589972
  H     18.56016934     11.51612471    -16.89306484
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  H     18.72178331     14.07083172    -15.01026741
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  H     18.29815208     15.34965725    -20.95477123
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  H     18.35634824     14.12638674    -20.01220692
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  H     18.01433324     12.09909422    -19.18588042
  H     15.19013810     13.76027507    -15.93874041
  O     15.87054929     13.93637042    -16.59970412
  H     20.38978981     18.71834915    -17.45227970
  H     16.65588767     14.25005329    -16.12470988
          69
 Energy    -248.55409535101114     
  O     11.94180613     10.65439620    -12.51413918
  H     11.31420521     10.11476070    -12.00033010
  H     13.96717100      6.00828866    -13.24163601
  O      9.91012496      5.48473602    -10.16024220
  H     11.56113326     11.52554740    -12.58628078
  H     11.99555226      6.33316360    -12.74675545
  O     16.53748826      4.86823955    -12.20460488
  H     10.34235096      6.15789029     -9.61970411
  H     12.43681532      5.35633639    -11.61395095
  O     14.49402477      3.64836250     -9.46447983
  H     10.56581035      4.78857121    -10.29789933
  H     10.53318904      8.67860213    -10.29960448
  O     17.25356295      9.66590105    -11.30339542
  H     17.44810337      5.19291244    -12.26627072
  H      9.72763503      8.39547512    -11.58089180
  O     11.24392448      7.67462117     -8.84734899
  H     16.50506215      3.91102182    -12.11277370
  H     18.76351396      6.78100987    -11.36069386
  O     15.17259931      8.56273345    -14.21265285
  H     15.00410040      4.46319387     -9.37153944
  H     18.56806649      7.08970720    -12.85524277
  O     12.61327204      4.24472035    -14.78422454
  H     14.95662263      3.12188013    -10.12725114
  H     14.50366398      7.12337752     -9.81933496
  O     18.24296352      7.70639068     -9.72033468
  H     17.56321691      9.42343044    -12.18508006
  H     13.29843990      7.16832782    -10.79503424
  O     13.00919650      2.25258310    -13.00367925
  H     16.30243527      9.81342012    -11.38833588
  H     15.88200657      1.33711650    -11.80248712
  O     12.08563568      3.79036183    -10.77116644
  H     12.16307369      7.67781292     -9.16435508
  H     14.70959140      2.23509068    -12.24989509
  O     14.67922294      5.89218791    -13.88974106
  H     11.27180078      7.89801363     -7.92052080
  H     16.09750721      5.67741131    -10.63317010
  O     12.65031810      6.19148542    -12.05119391
  H     15.01757336      7.60581855    -14.17085328
  H     16.75096901      6.59573646     -9.58055111
  O     10.24527333      9.07398129    -11.13114994
  H     14.92217333      8.93341118    -13.35396164
  H     16.96112693      8.58646205    -14.09503025
  O     18.80180443      6.38303561    -12.23940944
  H     13.42901764      4.75915114    -14.70566254
  H     18.35345153      8.99473659    -14.61991568
  O     13.70432725      7.62123992    -10.03608808
  H     11.90088195      4.89347963    -14.71141780
  H      7.94201163      6.72654153    -12.31665790
  O     15.56288008      2.23657374    -11.78823050
  H     18.84741334      8.06709898     -9.07761609
  H      9.20836969      6.29199870    -11.54192568
  O     15.96480806      6.06394969     -9.75440173
  H     17.88357640      8.46058534    -10.22230433
  H     13.64835225     10.14891061    -11.96686896
  O     17.90771277      8.59848549    -13.87517943
  H     12.54587080      1.47956291    -13.31664363
  H     14.21912617      9.02355894    -11.07163736
  O      8.88840734      6.83828923    -12.28276879
  H     12.86045890      2.94922079    -13.66873056
  H     12.11364212      9.47731280    -14.00238907
  O     14.46469336      9.69472958    -11.72393479
  H     12.85752578      3.74769174    -10.18505657
  H     13.24203206      8.75121920    -14.74532272
  O     12.28304637      8.79602958    -14.66483186
  H     12.26415036      3.18751768    -11.50175249
  H     11.30950260      7.29653120    -14.46360110
  O     10.91869257      6.44706031    -14.20280638
  H     15.41623154      5.50736389    -13.39515498
  H     10.12459005      6.62051949    -13.68272029
          69
 Energy    -248.55408764195042     
  O      4.02164070      1.57548116      6.37294211
  H      4.58029785      1.64606585      5.57882404
  H      3.35436179      3.40650535      6.22454405
  O      1.39679028      3.66453540     -0.05029061
  H      4.57276379      1.22086744      7.06550514
  H      1.81693361      0.22590450      2.28435034
  O     -1.38790346      4.00004450      0.24337511
  H      0.46287393      3.90609115     -0.04498947
  H      2.18384487      0.04475003      3.77218477
  O      0.63126720     -2.45376837      2.98850866
  H      1.61605406      3.27019174     -0.90839658
  H      2.63224082      3.78427730      1.21226544
  O     -0.64609189     -2.74150753      0.66543317
  H     -1.98607266      4.68296047     -0.04642560
  H      3.63047079      2.74915473      1.81631462
  O      3.56228496      0.04808243     -0.97168866
  H     -1.64568960      3.17970951     -0.21924574
  H     -3.42816129      0.80860626      3.93905278
  O      0.94018707     -0.84847799     -0.59271634
  H      1.39831935     -1.87626034      2.89740327
  H     -2.13294713      1.36820531      3.30681580
  O      1.23286765      3.39724811      3.98710707
  H      0.12323729     -2.07281520      3.72036517
  H     -0.00222595      1.49882158      1.72095856
  O     -1.12352619      2.68938959      2.73349963
  H     -0.19748076     -2.69632709      1.53120231
  H      1.07925775      2.00171306      0.74949551
  O      5.50020248      1.98707742      4.11287684
  H     -0.97711763     -3.62999679      0.57331690
  H     -1.43685513      1.32443465     -1.65764602
  O      4.90160308      4.76390355      3.76884081
  H      2.70424851     -0.37963390     -0.81804021
  H     -2.15742438      0.94637444     -0.34060355
  O      3.02906719      4.25158693      5.89011451
  H      4.10289343     -0.59016564     -1.43282010
  H      3.79099102      0.53793677      2.12419124
  O      2.41059587     -0.25465837      2.88116453
  H      0.76961302     -0.11955931      0.02567340
  H      4.27845852      0.80756155      0.69117350
  O      3.20953452      3.60695120      1.96797558
  H      0.45639870     -1.61125734     -0.25193393
  H      2.70046226      1.53687967     -1.90648162
  O     -2.60356644      0.54830316      3.53535200
  H      1.69243059      3.80583389      4.73507117
  H      1.31825546      1.68294449     -2.57221444
  O      0.75789618      1.21192259      1.20254712
  H      1.86423340      3.41492766      3.25573847
  H     -1.82529684     -1.21759612      0.81767839
  O     -1.98186428      1.68095307     -0.94894043
  H     -1.27049213      3.25232098      1.96305725
  H     -2.47421139     -0.19266579      1.77653643
  O      4.39149315      1.09584781      1.60290810
  H     -0.36888879      3.04161011      3.22832859
  H     -0.37669240     -0.13016799     -3.49047772
  O      2.07063585      2.18794039     -2.23860460
  H      5.46351939      2.94720032      4.01265195
  H      0.21752695     -0.10782815     -2.06177111
  O     -2.31882973     -0.39040788      0.84532548
  H      5.30855376      1.62006068      3.24189300
  H     -1.32663418     -0.46045927      4.53238668
  O     -0.12646068      0.45254394     -2.77774522
  H      4.29146882      4.46652884      3.07121198
  H      0.06465332     -0.32489470      5.19263663
  O     -0.61759726     -0.96431393      4.94958087
  H      5.36033334      5.52653643      3.42652242
  H      1.34547708      1.73838203      4.83246945
  O      1.53893513      0.89215761      5.25826261
  H      3.71037664      4.56429266      5.28096541
  H      2.34662504      1.02994702      5.76985252
          69
 Energy    -248.55391963493187     
  O     10.53733404      8.21056263    -11.60251353
  H     11.23847321      8.87171554    -11.54676469
  H     14.64871823      2.43958895    -11.62291440
  O     11.67787445      3.84325184    -10.42605917
  H     10.58540710      7.87630361    -12.50481134
  H     15.21856750      4.10226644     -9.82786072
  O     17.46640170      7.19631393    -12.53737517
  H     11.28877275      3.10979563     -9.95494633
  H     14.40227412      4.49265724    -11.07168915
  O     15.40553492      4.11921034    -15.20691987
  H     12.63612869      3.78820551    -10.27884367
  H     15.49470815      5.84211857    -14.77794259
  O     16.82035278      4.97952476     -9.23688025
  H     17.79944896      8.05328405    -12.83372524
  H     16.22921438      6.86470375    -13.83052458
  O     14.80259563     11.69855652    -11.40560562
  H     17.08128485      7.33793082    -11.66120089
  H     14.53381869      6.07800466    -12.95831669
  O     11.25498461      6.57128492     -9.44189413
  H     14.56176891      3.68003431    -15.05398160
  H     13.15275553      5.47746498    -12.57562208
  O     13.51207241      8.67933594    -14.20834175
  H     16.06216037      3.59275878    -14.73254402
  H     17.19112578     10.11035236    -13.61103352
  O     13.01234810      2.65968233    -14.38620195
  H     16.74058197      5.93432690     -9.40481877
  H     18.71827365     10.26290379    -13.80834762
  O     17.10949429     10.19870536    -10.58598797
  H     17.27777262      4.88925761     -8.40450598
  H     13.84225270      6.91428030    -10.85657068
  O     17.17137925      2.58943125    -13.57476081
  H     14.10066606     11.02426700    -11.40741576
  H     12.92142837      7.21326580     -9.65401847
  O     14.69380491      1.89253938    -12.41726516
  H     14.40336095     12.51018500    -11.10401781
  H     17.61603310      4.56210403    -10.94110253
  O     14.46940601      3.82714066    -10.36722656
  H     11.26409535      5.65427053     -9.73421931
  H     17.89354308      5.43087705    -12.18190673
  O     15.43941856      6.71912175    -14.36928313
  H     10.86647205      7.09011703    -10.16330043
  H     15.49976385      7.62020721     -9.86944139
  O     13.99657363      5.77652763    -12.21619151
  H     12.67000088      8.22644824    -14.33353151
  H     16.75101279      8.53646024    -10.00730482
  O     18.06010736      9.81227457    -13.28667341
  H     14.20184182      8.01186564    -14.34615858
  H     14.84594236     10.08475319    -14.19249236
  O     13.75102926      7.47996371    -10.07443219
  H     12.75317152      1.90294568    -14.90553114
  H     15.29939689     11.14829554    -13.16849023
  O     17.91341557      4.52072037    -11.85682173
  H     13.57508849      2.32628114    -13.66325026
  H     13.30572615      8.95214174    -11.00827960
  O     16.46756736      7.61460844     -9.92115234
  H     16.34405824     10.76325620    -10.75156427
  H     13.21119544      9.32239475    -12.51630953
  O     15.57519227     10.67307151    -13.96305082
  H     17.57515679     10.14805965    -11.42939966
  H     11.18842459      6.25263290    -13.90484785
  O     13.03495128      9.65032247    -11.62244313
  H     17.47293883      3.27371846    -12.94983584
  H     10.40641356      7.09901111    -14.93213295
  O     11.06938473      7.15349091    -14.24734629
  H     17.94348741      2.09277377    -13.83118052
  H     12.00987424      3.96102197    -13.62486948
  O     11.59143778      4.68020868    -13.12938651
  H     15.58112786      2.02128040    -12.77873377
  H     11.45072952      4.36568931    -12.22645826
          69
 Energy    -248.55385158831854     
  O     14.89551301      5.93433982    -13.95999808
  H     15.49146423      5.97553547    -13.20344900
  H     16.89207745      5.38067734    -11.19192486
  O     17.77735396     13.97796784    -11.81122209
  H     15.41754984      5.56651229    -14.68831440
  H     20.26463694      8.65068830    -16.85459990
  O     19.89682357      8.42797529    -13.76654550
  H     18.07700779     13.53563540    -12.61806027
  H     20.60836252      9.02529069    -15.39743893
  O     16.48521609      6.64500589    -18.55145275
  H     16.81580832     13.89469259    -11.81152661
  H     16.79098584      8.62295663    -14.78363891
  O     15.99636755     11.22108629    -10.18278896
  H     19.75887283      9.08458348    -13.07156674
  H     17.09076171      7.16123471    -15.20485097
  O     15.43776807      9.50351432    -13.87644580
  H     19.03309679      8.29888493    -14.19143584
  H     15.94410801     11.51901030    -16.13505575
  O     18.38871916     12.21884920    -13.91657049
  H     15.93958122      7.37749212    -18.20586266
  H     17.25950499     11.11697873    -16.82013078
  O     19.26317071      5.76113563    -13.23798694
  H     16.12382425      6.41097549    -19.40113834
  H     16.15204785      9.05757175    -12.34028343
  O     13.49059738      7.94983625    -15.09159924
  H     16.11414192     10.32744922    -10.53060063
  H     16.73630962      7.86531589    -11.54392408
  O     19.43274240      5.01747178    -16.02156115
  H     16.87780392     11.52296446     -9.93075636
  H     14.43793908      8.40494706    -16.71821038
  O     16.62652140      5.38156743    -16.01677054
  H     15.42459180     10.44894432    -14.07374777
  H     15.45275592      9.44267544    -17.27668712
  O     16.90035095      6.02640596    -11.89454425
  H     14.65581163      9.09223608    -14.26432208
  H     18.41473161     12.94523248    -10.54183651
  O     20.68231047      9.33206420    -16.31222881
  H     18.74300599     12.01349721    -14.79047487
  H     19.19418237     12.64924834     -9.23733864
  O     17.49010612      8.03075172    -15.08635751
  H     18.62824781     11.49972176    -13.31619548
  H     19.02805543     10.90360377    -11.20508469
  O     16.30559367     10.98002374    -16.84888686
  H     19.36748417      5.38781325    -14.12003210
  H     18.17230350      9.75085786    -11.78527756
  O     16.63547324      8.82353057    -11.53196274
  H     19.65234211      6.64559746    -13.29078324
  H     14.25382157     13.60532083    -11.35913569
  O     15.02240029      8.59389453    -17.45967963
  H     12.55091005      7.81257362    -15.01073906
  H     15.28118969     12.46034946    -11.20358159
  O     18.67825317     12.23842057     -9.92521714
  H     13.92587493      7.18833767    -14.66582855
  H     15.27505562     12.61232350    -13.54974331
  O     18.95981267     10.29179724    -11.94763976
  H     20.09785897      4.47339405    -16.43591006
  H     16.61409313     12.24655922    -14.22001386
  O     15.00018153     13.19083621    -11.78343416
  H     19.39278849      5.84468051    -16.52911774
  H     19.72054355     10.77891410    -16.47601778
  O     15.65242713     12.21084922    -14.34203707
  H     17.53152140      5.04958748    -15.97885424
  H     19.53797743     12.15656714    -17.15027757
  O     19.13501631     11.55325276    -16.53054979
  H     16.49733899      5.71883953    -16.91327224
  H     18.22669012      7.17628323    -17.99149245
  O     18.92569272      7.40848978    -17.36821327
  H     17.74060335      5.90420555    -12.36986570
  H     18.45935409      7.79564832    -16.60920196
          69
 Energy    -248.55382770444876     
  O     15.85910712     12.88654420    -16.46461046
  H     15.17456445     12.45605162    -15.92192002
  H     15.38633527      5.15728723    -15.39964028
  O     15.31256082      6.36652935    -14.02697760
  H     15.43562453     13.61632408    -16.90947330
  H     19.27309794      5.79201717    -13.09316823
  O     18.04376337      8.69923431    -11.66521348
  H     15.78825619      6.18512538    -13.20601447
  H     17.96785388      5.24334863    -12.49499509
  O     18.69875905      5.95401743    -17.30003929
  H     14.60694234      6.98924009    -13.80482950
  H     19.11255979     11.16787715    -16.26158351
  O     15.98314738      6.04191696    -18.38695933
  H     18.85013522      8.29228618    -12.00653507
  H     18.44322373     10.42977275    -17.42094757
  O     15.91840058      9.57345653    -10.05406962
  H     17.80350073      9.37256711    -12.31962648
  H     17.76058757      8.10105561    -15.38530023
  O     13.48958766      8.34585050    -13.33528082
  H     18.59959551      5.17485525    -16.73720073
  H     16.40057686      7.58380730    -14.78547664
  O     17.26548539     10.49646279    -13.61295763
  H     17.85745911      6.05958826    -17.75753704
  H     14.12296160     11.45454803    -14.04394847
  O     18.25335539      3.79605333    -15.48669203
  H     15.77836164      5.48343746    -17.61418724
  H     13.54315411     10.86831893    -15.34864842
  O     14.25401619      7.30288124    -10.71297257
  H     15.79228567      5.52148364    -19.16266748
  H     13.67685410      8.92697505    -16.53194779
  O     19.56076359      7.95964268    -15.67953151
  H     16.18096374      9.85284926     -9.18010028
  H     12.13630717      9.06176685    -16.52315269
  O     15.60966942      4.58540200    -16.14733600
  H     16.72499699      9.26952249    -10.50053109
  H     21.11365992      7.51450384    -12.96605165
  O     18.68154667      5.03058055    -13.11005397
  H     13.93196150      9.14646043    -13.01889821
  H     19.99421808      7.67940415    -14.01954890
  O     19.21421906     10.40204047    -16.83511684
  H     13.14692924      8.56471499    -14.21044953
  H     15.79194351      6.41239913    -11.17150807
  O     16.84300335      8.33775874    -15.19805033
  H     17.09555732      9.78997619    -14.25673918
  H     17.12938337      7.05207583    -11.60416812
  O     13.97319885     11.64842105    -14.97743244
  H     17.69001257     11.22572002    -14.07698730
  H     16.40971223     11.45439381    -17.67664685
  O     12.91576751      9.19768137    -15.99033202
  H     18.66010467      2.93451847    -15.44949304
  H     16.17182438      9.97793777    -18.03829024
  O     20.16736574      7.48165019    -13.08142078
  H     18.40809824      4.21352091    -14.62092913
  H     15.66024862     10.68296172    -12.89604428
  O     16.64434538      6.21594802    -11.58664697
  H     13.79234317      7.57084206    -11.51654741
  H     15.00496155     10.46418927    -11.52630096
  O     16.78110245     10.71487468    -18.17068133
  H     14.68864912      8.09800189    -10.37952539
  H     17.45969635     12.76152898    -15.63871549
  O     14.80073725     10.66990655    -12.44491580
  H     19.38359550      7.25989630    -16.32667723
  H     18.68667829     13.44238864    -14.98980974
  O     18.28844249     12.59263489    -15.16062432
  H     19.54960630      8.81736103    -16.13224004
  H     15.79185570      8.52575587    -16.60251167
  O     15.18315818      8.50769611    -17.35850024
  H     16.45799534      4.18426971    -15.91918660
  H     15.38135127      7.69126019    -17.83472196
          69
 Ord_Energy   -248.553436    
 O    7.76065493       3.59909177       1.84554267    
 H    7.53940248       4.51000357       1.59625041    
 H    8.31265259       3.25321031       1.13367343    
 O    5.96123075       6.30807924      -1.38911831    
 H    5.30710840       5.59614611      -1.45907128    
 H    5.46524239       7.13306999      -1.45438242    
 O    2.24457526       3.57356381       4.15986681    
 H    3.09528422       3.11822271       4.22241831    
 H    2.36217880       4.45125532       4.54780102    
 O    4.04209757       4.29065609      -1.65058982    
 H    3.79281521       3.85721087     -0.821051240    
 H    4.48496008       3.63053298      -2.19684863    
 O    2.29894662       6.47456980      -1.34870291    
 H    1.65857267       6.22992373     -0.671769857    
 H    2.79626060       5.67276478      -1.56069207    
 O   0.810108840       3.29565430       1.95252013    
 H   0.223591819       2.55329728       2.06586003    
 H    1.29400563       3.40353751       2.79538584    
 O    2.41407394       7.17460012       2.31220746    
 H    3.12621069       6.53208256       2.16668987    
 H    1.65408695       6.83192682       1.82991374    
 O   0.466201693       5.78943300      0.772563517    
 H   0.552456975       4.91150951       1.17707515    
 H  -0.468894392       5.97517204      0.722567976    
 O    5.69695711       2.51877499      -3.06855655    
 H    5.70714998       2.24710488      -3.98262429    
 H    6.43647432       3.14298081      -2.95115590    
 O    7.02523851       6.11281300       1.12142110    
 H    6.73270798       6.29979038      0.217988834    
 H    6.99773216       6.92305660       1.64557230    
 O    6.57553053       8.22922325       2.89217305    
 H    5.78794956       8.54265499       2.40972614    
 H    7.04804468       9.00512123       3.18088508    
 O    4.14087057       8.45828724      -1.32790542    
 H    3.91802406       9.11013889      -1.98727918    
 H    3.42069793       7.80101395      -1.32894099    
 O    5.62081623       1.73992133       1.46750546    
 H    6.29834747       2.41691637       1.60421145    
 H    4.81297112       2.19464564       1.18743896    
 O    4.77446508       2.37647414       4.15455198    
 H    5.01454496       1.96464622       3.31583452    
 H    5.56611061       2.84333515       4.44169283    
 O    4.50608826       5.35035324       2.09415364    
 H    5.31308556       5.62373161       1.64231765    
 H    4.69939470       5.42102289       3.03789997    
 O    7.67039728       4.29211569      -2.47487617    
 H    7.25843000       5.09488153      -2.13152027    
 H    8.20152569       3.91306806      -1.76416957    
 O    4.40059042       8.93447399       1.47294843    
 H    3.61747384       8.47612572       1.80875266    
 H    4.35429239       8.86141300      0.512532055    
 O    6.91164684       1.02524114     -0.927449346    
 H    6.38398743       1.39784086      -1.64368558    
 H    6.38591290       1.10688400     -0.119431138    
 O    3.38535738       3.24466085      0.796624243    
 H    2.48371124       3.11189389       1.10682130    
 H    3.75364542       3.97208691       1.32546139    
 O    2.75846410       6.18617630       4.98216152    
 H    2.52255654       6.67714262       4.18491697    
 H    3.72060347       6.24287748       5.05108833    
 O    7.25512123       3.86688423       4.53896236    
 H    7.51804066       3.72808909       3.61385489    
 H    7.95716810       3.51378393       5.08009148    
 O    5.56130743       6.12304068       4.58214474    
 H    5.97535658       6.85601568       4.10922766    
 H    6.21722889       5.41954708       4.67100716    
 O    9.01144505       2.67353177     -0.481948793    
 H    9.84846592       2.25995421     -0.675639689    
 H    8.32033730       2.01070809     -0.666108370    
          69
 Energy    -248.55341512826544     
  O     12.15728887     12.47017586    -12.98578348
  H     11.90156859     13.35830660    -12.75030143
  H     16.57258821      5.86475957    -13.56664436
  O     19.05231807      9.43297642    -12.07651189
  H     13.00809019     12.53534703    -13.45269712
  H     13.35811574      9.67656041    -16.60199162
  O     15.50613603     10.29499025    -11.15519831
  H     18.92696993      9.47537310    -13.03596219
  H     12.21145001     10.66177186    -16.34543322
  O     10.99490974     10.74304974    -14.99286053
  H     18.74258661     10.28246365    -11.74488012
  H     16.56957803      9.78392339    -14.15377728
  O     14.04265241      8.27181689    -15.33684577
  H     15.73980795      9.37421162    -10.96228898
  H     15.61410251      9.97793857    -12.93541778
  O     14.78914813      6.36321771    -13.33144776
  H     16.30013479     10.84142678    -11.11685264
  H     14.06049956     11.81516073    -17.14313748
  O     18.49179643      6.94478124    -11.21816472
  H     11.08737085      9.88347341    -14.56148800
  H     14.45922565     13.13255947    -17.85355241
  O     14.54084293     12.44556774    -14.34116026
  H     11.25688671     11.39247689    -14.32985136
  H     12.80070913      8.49609615    -10.52460145
  O     18.33500680      7.02456540    -15.96016154
  H     13.19777301      8.28678323    -14.86481262
  H     13.98875535      7.55018752    -10.26094960
  O     15.78060902      7.56102074    -10.96414534
  H     14.62371132      8.88751858    -14.85733908
  H     18.11434984     10.18295634    -15.43418682
  O     17.13272044     11.17687920    -16.59698970
  H     14.59739836      6.93734598    -14.08315431
  H     18.43312213      8.68767196    -15.16706904
  O     17.53168124      5.83344164    -13.68023572
  H     13.93610502      6.05365255    -13.00184324
  H     17.51733429     12.38436749    -14.85095674
  O     12.97869293     10.50263053    -16.91551145
  H     19.19302104      6.61806400    -10.66152136
  H     16.35231171     12.92334730    -14.03158060
  O     15.64692070      9.90228284    -13.89695377
  H     18.74706216      7.84268393    -11.49975964
  H     18.14620145     12.64125772    -10.95889446
  O     14.68265445     12.56675465    -17.12014294
  H     14.89716582     11.55071773    -14.23350594
  H     17.68867786     12.24787978    -12.38035866
  O     13.02391843      7.59949635    -10.24208386
  H     14.51382780     12.61345406    -15.29313696
  H     12.45024555     10.95343849    -11.92593309
  O     18.35911883      9.55270107    -14.74229503
  H     19.00028977      6.49713520    -16.39368386
  H     13.71302425     10.26132944    -11.36676228
  O     17.31411383     12.82478965    -14.02040919
  H     18.05838178      6.53379991    -15.16580888
  H     16.93673111      7.95341181    -16.85802859
  O     17.79960432     11.91599882    -11.47247670
  H     16.70495622      7.28973557    -10.90394591
  H     15.45482702      8.32107913    -16.68152726
  O     12.77495192     10.12056641    -11.56220836
  H     15.44722798      7.20318235    -11.79936248
  H     11.79900813      7.53064103    -13.22541508
  O     16.26016106      8.58090987    -17.14323015
  H     16.84291064     10.29450763    -16.88261353
  H     12.20667925      8.98718980    -12.90484794
  O     11.86959177      8.41234424    -13.60826687
  H     16.40191105     11.75818027    -16.83557394
  H     11.66124343      5.22365393    -11.94540019
  O     12.21490793      5.94452126    -12.23184760
  H     17.91484906      6.13095787    -12.84646279
  H     12.43594063      6.46704468    -11.43928242
          69
 Energy    -248.55322481104935     
  O     -6.04788243      0.95148568      0.69555509
  H     -5.97406801      1.31325519      1.58804719
  H      1.34404124      2.34254722      1.05977047
  O     -5.84333435      0.87838974     -4.17610879
  H     -5.62834122      0.07863989      0.71892780
  H     -1.41023465      4.43021896     -0.38898929
  O     -5.39658041      1.91381595      3.24721284
  H     -6.49536494      1.01396667     -4.85791445
  H      0.00133423      3.88309267     -0.11100631
  O      0.05852757     -1.20008536      1.61151244
  H     -6.33179214      0.70312761     -3.35083943
  H     -4.99974916      2.17249223     -0.08798760
  O     -2.24515224     -1.29297401     -0.02924074
  H     -4.69620981      2.58340764      3.15230725
  H     -4.14118222      2.48790115     -1.36036064
  O     -4.38467808     -1.55715110     -3.51982897
  H     -5.93796829      2.18808109      3.98291244
  H      0.62301498      1.09259609     -0.88900960
  O     -4.85946372     -1.57887695      0.76830672
  H     -0.34875123     -1.01242176      2.46627564
  H     -0.17373662      2.33143687     -1.39887563
  O     -2.02052665     -0.28024399     -2.64315337
  H     -0.66655557     -1.44469244      1.02233095
  H     -5.43425869     -2.23169229     -2.28654599
  O     -3.60576888      1.97816480     -2.95140094
  H     -2.17663514     -1.15795522     -0.98294926
  H     -6.44921638     -3.32348847     -1.87334295
  O      1.76780919      0.56084339      0.45527345
  H     -2.25013115     -0.39543278      0.34225401
  H     -1.45647849      1.85350926      2.12956401
  O     -1.33098833     -0.51554485      4.00722686
  H     -4.82511122     -0.78440178     -3.89354847
  H     -1.05978885      1.30919210      3.51030508
  O      0.90059095      3.17081441      1.27956418
  H     -3.48501017     -1.27602781     -3.30838312
  H     -4.31821043     -1.04824319      2.52926000
  O     -0.61951313      4.08990135     -0.82726255
  H     -3.93113498     -1.57519442      0.48925501
  H     -4.43256701      0.26415708      3.33172515
  O     -4.33107427      2.76648615     -0.45261317
  H     -5.34660689     -2.00590162      0.05346930
  H     -1.44970990      1.43176720     -0.13223473
  O     -0.10425486      1.37022765     -1.46284631
  H     -2.63366719      0.46312157     -2.74982325
  H     -2.89603644      1.85954380      0.25906190
  O     -6.08604483     -2.48294283     -1.60751344
  H     -1.19544460      0.14390353     -2.37245583
  H     -3.46318005      5.78764117      0.15672786
  O     -1.09559047      2.12048143      2.99189853
  H     -3.06671105      2.71187755     -3.27913800
  H     -3.58774071      4.24675041      0.07338364
  O     -3.94921628     -0.56927064      3.28106106
  H     -4.34174184      1.78927708     -3.54619104
  H     -6.88701343     -0.74890344     -1.75211988
  O     -2.12013733      1.37294047      0.56124095
  H      1.19198431     -0.08171842      0.90735251
  H     -6.87545071      0.57799429     -0.97814241
  O     -3.03260284      4.97391907      0.40787820
  H      2.63507153      0.16764224      0.41157490
  H     -3.23824835      4.25297245      2.20043417
  O     -7.06511679      0.19599491     -1.84398751
  H     -2.27148451     -0.56973281      3.75922619
  H     -2.54848330      3.24008706      3.13438149
  O     -3.38151197      3.70875888      2.98224960
  H     -1.24823250     -0.94356965      4.85515109
  H     -1.24721578      4.41136695     -4.03518595
  O     -1.83121085      4.05749075     -3.36819880
  H      0.29763483      2.94525329      2.00066365
  H     -1.35647337      4.14780389     -2.52780157
          69
 Energy    -248.55302603119168     
  O     11.72805463      8.34428194     -8.91046998
  H     11.47787796      9.17680778     -9.34830668
  H     11.42251662     11.53482771     -9.81426798
  O     12.39480759     10.17030707    -17.08802644
  H     10.96960578      8.06156665     -8.40480783
  H     12.60502694     13.63189700    -12.69885003
  O     12.18519814      7.08522916    -11.44413335
  H     12.62249408     10.33695966    -17.99877491
  H     13.11790816     12.50592166    -13.61782376
  O     13.56848103      9.00729740    -14.81166493
  H     12.06170729     11.01049117    -16.72528077
  H     16.42321272      8.62584988    -11.89829862
  O     13.98068910     11.97869724     -7.31727628
  H     13.11560056      7.21772359    -11.66690337
  H     17.11795696      9.05826571    -10.59978784
  O     11.29449042     12.41506509    -15.98140187
  H     12.07222285      7.40813842    -10.54268776
  H     14.41076515      8.88226189    -11.84529497
  O     11.17080831      8.56201913    -13.52148549
  H     13.30943003      9.31264841    -15.69014792
  H     14.45591697      8.25980551    -13.26398470
  O     16.75496414      9.02891555     -8.70796521
  H     12.73730897      8.80970615    -14.35168677
  H     13.55022601     15.42059079    -11.19456587
  O     13.91113979     10.51014938    -11.12071083
  H     14.67710209     11.92505962     -7.99478939
  H     14.41113073     14.14442814    -11.31244122
  O     14.19988833      9.08527238     -7.73006937
  H     14.36582411     12.41309289     -6.55984655
  H     17.20453486     10.64213002    -12.48028632
  O     16.03561806     13.47169963    -11.31434756
  H     11.66193450     12.80123687    -15.17648317
  H     17.95431115     11.46246035    -13.55316014
  O     11.23642238     10.67529476    -10.22383326
  H     10.38751693     12.16740518    -15.76170602
  H     11.03595219     11.84360578    -12.97700620
  O     12.33679516     13.04519667    -13.41463211
  H     10.91063225      9.42622786    -13.17800825
  H      9.70027968     11.24026842    -13.47792144
  O     17.16313000      9.14831830    -11.55831032
  H     11.40657587      7.99342746    -12.77440951
  H     16.30541796     10.80800598     -9.08576134
  O     14.69609966      8.09929572    -12.34248014
  H     15.84180142      8.94522168     -8.37903587
  H     15.09896243     11.18703610     -9.96887517
  O     13.49615393     14.46912815    -11.24657504
  H     17.30832436      8.55235665     -8.09501402
  H     14.20994298     10.54897973    -14.16396966
  O     17.15316315     11.43977710    -13.03654516
  H     12.98504643     10.57328385    -10.85818470
  H     15.40797633     11.40174032    -13.61495905
  O     10.36755009     11.16969125    -12.78467291
  H     14.01495804     10.92641969    -11.98703183
  H      7.88798562     11.35576215    -15.38197302
  O     15.75070165     11.55254454     -9.34671242
  H     13.38929880      8.74293792     -8.12700311
  H      9.12094933     10.42480094    -15.48770120
  O     14.44961533     11.37776689    -13.72552151
  H     14.00393437      9.99335231     -7.47244482
  H     12.58924626     13.54281870     -9.83069677
  O      8.80251117     11.27243696    -15.12749887
  H     16.05163707     12.92024967    -10.51880561
  H     12.70293372     12.77078849     -8.48576210
  O     12.08964586     13.02715698     -9.18589073
  H     16.47599901     12.93786864    -11.98466191
  H     10.75879594      9.25883770    -16.51250467
  O      9.98067206      8.99104037    -16.00925473
  H     10.77357027     10.83677024    -11.05613603
  H     10.31992387      8.64624344    -15.17012862
          69
 Energy    -248.55273838166744     
  O     15.21330925     10.29938965    -16.47741481
  H     14.44363917     10.50115257    -15.93336208
  H     20.02687883     11.11724391    -18.02581455
  O     16.00712837      4.56913406    -13.60524189
  H     15.75460665      9.67566430    -15.96528762
  H     17.72930859      8.70042265    -15.07321494
  O     18.35455176     13.68903179    -11.57352155
  H     16.79734776      4.20196079    -13.21598510
  H     16.51552674      8.53228245    -14.08510823
  O     19.56049844      8.69797626    -15.50313696
  H     16.28537541      4.97747728    -14.44118732
  H     13.08881548      9.56621824    -14.62193902
  O     14.26290472      6.73679565    -17.00831042
  H     19.01955990     13.04346552    -11.27181744
  H     12.22631687     10.85158055    -14.66798214
  O     18.04922286     10.44434366     -9.08658922
  H     18.73723179     14.55452733    -11.46272074
  H     18.17355864      8.98165016    -10.27312008
  O     15.89994606      8.41279991    -12.40629201
  H     19.59727454      9.36291982    -16.20505920
  H     18.72810434      8.84713342    -11.70482868
  O     17.56892901     11.96620034    -13.64492553
  H     19.57316984      7.83935281    -15.94300690
  H     13.45785114      7.45385140    -15.53649602
  O     14.13787349      6.23670103    -12.54941606
  H     15.06642290      6.28506415    -16.72089551
  H     13.40057645      7.28061379    -13.99790280
  O     19.20102287      6.38817446    -17.16145781
  H     14.54833661      7.35378396    -17.69167415
  H     19.46707893     11.21953335    -10.11892237
  O     16.73915845      5.95009498    -15.86981188
  H     17.91468172     10.46161457     -8.14306215
  H     20.01028398     11.05175046    -11.55175153
  O     19.38411296     10.54194066    -17.62063377
  H     17.36065565     11.01086166     -9.47795692
  H     19.67817784      9.49417952    -13.81536380
  O     16.77366478      8.57987812    -15.01648252
  H     15.31010113      7.65575008    -12.32270329
  H     18.78569597     10.63273242    -13.26291040
  O     13.12604217     10.54190016    -14.61509401
  H     16.68008548      8.28552170    -11.84500107
  H     15.76383784     11.78866817    -11.06218946
  O     18.22124966      8.37899931    -11.02618121
  H     17.83053763     12.66694402    -13.03453770
  H     16.88098580     12.78877948    -10.69927325
  O     13.13320948      7.85933317    -14.71913452
  H     16.69877428     11.65351788    -13.35920349
  H     18.48545453      9.10467341    -18.47036455
  O     19.98728491     11.66206405    -10.80220765
  H     14.76243694      5.58381004    -12.91024849
  H     17.13374513      8.41950281    -18.79998552
  O     19.44835114      9.97300932    -13.01027037
  H     13.56027172      5.76595174    -11.95440824
  H     14.39339377     10.99078116    -13.28127842
  O     16.29169995     12.12209586    -10.32484947
  H     18.79682829      7.01149532    -17.79427448
  H     15.37024082     10.09239838    -12.49172905
  O     18.08454482      8.26752001    -18.73721785
  H     19.81614453      5.85367705    -17.65577041
  H     17.56384255     12.07004523    -15.46928662
  O     15.13362207     11.01730490    -12.66491836
  H     17.57830734      5.90709437    -16.34203605
  H     16.61466591     11.51963332    -16.54573844
  O     17.46091875     11.96998650    -16.42580120
  H     16.65915283      6.86833215    -15.56761967
  H     14.78305300      9.19034875    -19.46821271
  O     15.28807779      8.80457542    -18.75658530
  H     18.70319622     11.11476034    -17.22241679
  H     15.20640686      9.40546519    -17.99584371
          69
 Energy    -248.55273007717250     
  O     -5.88618868      0.58295554      0.17439449
  H     -5.87753865      0.61108977      1.13965349
  H     -1.27584780      4.88291598      0.48201226
  O     -5.59552044      0.78738271     -4.41336504
  H     -5.50852743      1.41962536     -0.13189060
  H     -3.73149518      2.47818465     -0.32202699
  O     -5.50310928      0.69541354      2.96184282
  H     -6.24630434      1.00599512     -5.07490025
  H     -4.67275330      3.69396444     -0.16493154
  O     -0.65431471     -1.17590872      2.16495490
  H     -6.08051390      0.40939383     -3.65716906
  H      1.24909861      1.64104045     -1.50330031
  O     -1.60079512     -0.80331429     -0.44777093
  H     -6.11456071      0.60125040      3.68749979
  H      2.51272196      2.00139129     -0.69408436
  O     -3.92261981     -1.55399884     -4.25593097
  H     -5.08381807      1.56921615      3.06089048
  H      0.33773732      3.33140914     -0.75444024
  O     -4.19937784     -1.62604876     -0.09043097
  H     -0.29372638     -1.92771004      2.62839547
  H     -0.67722811      3.89063516     -1.80058737
  O     -1.82466735     -0.10845435     -3.08896936
  H     -1.59515107     -1.12429277      2.41191394
  H     -4.77664205     -2.48123239     -3.05247760
  O     -3.53503815      2.20198162     -3.15773350
  H     -2.50399467     -1.14218133     -0.34263954
  H     -5.52730696     -3.76122120     -2.61010921
  O      0.76153456      1.31829751      2.13913018
  H     -1.12377346     -1.01780432      0.36262106
  H     -1.91034158      2.38522405      1.86229187
  O      0.53319088      1.41115184     -3.10504744
  H     -4.47551872     -0.79838379     -4.48832835
  H     -0.67178688      2.35751748      2.74299739
  O     -1.77851673      5.15286109      1.26168304
  H     -3.09121702     -1.17769251     -3.93564430
  H     -4.00596097     -0.51637424      2.83125430
  O     -4.55670363      2.87171452     -0.65517407
  H     -4.76986577     -0.84595944     -0.03091826
  H     -3.67436019     -1.51611037      1.72010361
  O      1.56271626      1.93306103     -0.62936254
  H     -4.55349698     -2.17588287     -0.79931582
  H     -1.91187836      0.96784822     -0.08559378
  O     -0.46688709      3.85680353     -0.85888416
  H     -1.68548123     -0.42301887     -2.18297203
  H     -1.55154275      2.48960431     -0.24919028
  O     -5.30812216     -2.87488700     -2.33691824
  H     -2.39607016      0.66936584     -3.03445200
  H     -3.50999931      5.19625270      1.11152912
  O     -1.56054785      2.73242486      2.69727595
  H     -4.23617707      1.78445986     -3.67459992
  H     -4.85733773      5.95251851      1.18997290
  O     -3.34890402     -1.16753653      2.56094739
  H     -3.93706899      2.49301444     -2.32703803
  H     -6.64136936     -0.04908654     -1.41601490
  O     -2.19078541      1.86683344      0.12312166
  H      1.02535266      1.46503242      1.22395213
  H     -6.44701751     -1.31336614     -2.27974260
  O     -4.47776399      5.08641980      1.07011808
  H      0.33976178      0.44936657      2.16202789
  H     -3.31984272      2.98009294      3.19478631
  O     -6.79392658     -0.41290260     -2.29823721
  H     -0.15096694      0.73339563     -3.18642576
  H     -4.44657730      3.78849740      2.51447618
  O     -4.28113128      3.08437321      3.15120067
  H      0.10382811      2.22004850     -3.40694410
  H     -1.32728204      4.28190763     -4.27769748
  O     -1.22494235      3.65293970     -3.56802456
  H     -1.60211118      4.46660069      1.91973755
  H     -2.06945912      3.17801479     -3.49082734
          69
 Energy    -248.55260380978649     
  O     16.88742526      9.84611654    -10.44777297
  H     16.09218916      9.56867568    -10.92470691
  H     12.70196077      8.18765060     -6.20906142
  O     17.53684914     12.32078829     -9.54194857
  H     17.51635007      9.11190947    -10.48851702
  H     17.66224519      2.71108131    -10.98681495
  O     12.25811626      6.59318022     -7.16461936
  H     17.63148129     12.93881162    -10.26186503
  H     16.69018916      3.84176941    -11.36356118
  O     14.66403593      8.81943769    -11.68215172
  H     17.28923940     11.46537321     -9.93495082
  H     15.14844163      7.20162799     -8.16921729
  O     18.47435505      7.59840843    -10.47425609
  H     11.99882761      6.94187453     -8.03645498
  H     14.03009077      6.22790923     -7.73137555
  O     20.44151054      8.63995985     -8.77332205
  H     11.55610131      6.01300422     -6.88216519
  H     18.01566027     11.34598739     -4.57850481
  O     17.47759335      5.56528487     -8.84507228
  H     14.44470273      7.91596344    -11.41060235
  H     17.65720228     10.17895208     -5.52609948
  O     11.77768474      7.52634491     -9.67420416
  H     13.96397468      9.37590081    -11.31699812
  H     16.16736904      7.85922372    -12.60551073
  O     15.86307017     12.27212201     -7.21438227
  H     18.10438454      6.88775165     -9.93016781
  H     17.51275149      7.31354281    -12.07586826
  O     12.65203538     10.20692441    -10.25882163
  H     19.24579360      7.93190005     -9.99810756
  H     14.97669719      9.48435201     -7.94693603
  O     13.66180913     10.74546103     -7.80040764
  H     21.38860053      8.73582233     -8.82912377
  H     16.19269534      9.21150398     -8.86493206
  O     13.00771092      9.01757682     -5.82490051
  H     20.09423465      9.48937409     -8.44717123
  H     19.00139928     11.06425997     -7.01267153
  O     17.23153002      3.48928131    -10.64162086
  H     17.46617583      4.77396299     -9.40097364
  H     18.88041586     11.52392199     -8.47313864
  O     14.86272934      6.27526224     -8.21525237
  H     16.57119980      5.70812322     -8.54103947
  H     15.20700187      7.51874603     -3.46184199
  O     17.87640761     11.12581914     -5.49593219
  H     11.96852399      8.45173185     -9.86749806
  H     15.86355197      8.24739374     -4.64232902
  O     16.83814566      7.18339118    -12.75637298
  H     12.39821503      7.01132580    -10.20769144
  H     14.34572517      6.15541868     -9.95710565
  O     15.70794686      8.87298572     -8.10384124
  H     16.38857432     12.40697791     -8.01264857
  H     14.46626809      5.61272216    -11.41321135
  O     19.41713452     10.98463530     -7.87995240
  H     16.48327069     11.94503233     -6.55204228
  H     18.60259724      6.28904421     -7.52778967
  O     15.05999772      8.21214424     -4.10053058
  H     12.04380771     10.89816059    -10.50810163
  H     19.64917358      7.41987326     -7.49891062
  O     13.99057673      6.23623222    -10.85487401
  H     12.99768339     10.44485865     -9.38020508
  H     16.67441980      8.64410102     -6.62242483
  O     19.10393374      6.86216006     -6.93139766
  H     13.35046420     10.24840585     -7.02662139
  H     17.92045415      7.89193161     -6.08596112
  O     17.21250754      8.49967343     -5.82981094
  H     14.34495229     11.37590018     -7.52751148
  H     16.14457044      5.59238036    -12.73402283
  O     15.67991725      4.74358671    -12.61616109
  H     13.66871778      8.77821404     -5.16072647
  H     15.37261289      4.47573946    -13.47828560
          69
 Energy    -248.55240642796792     
  O      9.84840236     13.36167303    -12.73364563
  H      9.09849332     13.77995016    -13.14917744
  H      9.88577653     12.04143538    -11.39549382
  O     14.72444988      7.67522457    -15.87430836
  H     10.26338780     12.79997756    -13.41010558
  H     14.40198135     12.37703985    -13.94184342
  O     10.71649633      8.62580754    -11.01290921
  H     15.00603472      6.83584939    -16.22700125
  H     13.78238929     13.67579055    -13.31697420
  O     14.69872938      9.00402574    -13.36826942
  H     13.75254753      7.69932576    -15.94521157
  H     16.81604543     10.46844620    -11.55000719
  O     12.24139514     13.65384432     -8.32014361
  H     10.32625427      9.50575676    -10.91886973
  H     15.73875941      9.39752319    -11.83725930
  O     14.63238882     10.39939851    -16.78328332
  H     11.41876342      8.59072972    -10.35083418
  H     13.22455741     15.14400405    -11.88120564
  O     11.91311204      9.16593435    -13.42268078
  H     14.84141136      8.43693745    -14.13660977
  H     13.98189801     16.17801475    -12.74906993
  O     12.91441410      9.35388567     -9.35872944
  H     13.73897445      9.08866871    -13.27497962
  H     18.55551418     12.19792260    -12.36866162
  O     13.04046914     11.50167641    -11.17350335
  H     11.81183118     12.78991128     -8.18821212
  H     17.14551791     12.70197349    -11.97360779
  O     11.10910682     11.20646245     -8.15127875
  H     11.99567918     14.19911870     -7.57729822
  H     11.34386947     11.44004712    -15.39801344
  O     16.18099275     13.89407590    -11.19942830
  H     15.12108357     10.86619258    -16.09316093
  H     12.08149467     12.16231121    -14.24233508
  O     10.26383037     11.40405175    -10.78157433
  H     14.77254223      9.46112720    -16.60319044
  H     13.93331044     13.01152598     -8.75098057
  O     13.58391260     12.78358599    -13.62470533
  H     11.58584817     10.03796853    -13.67151078
  H     14.96391723     11.81793528     -8.81498650
  O     16.30434129      9.75937086    -11.14306778
  H     11.45722191      8.89198926    -12.61435599
  H     15.41724182     10.52343034    -14.03407915
  O     14.01607604     15.27919929    -12.43341295
  H     12.96195101      9.97300265    -10.10320731
  H     16.52217510     11.59306176    -13.83120521
  O     17.62989029     11.97394392    -12.40453399
  H     13.78871216      9.38708727     -8.95503452
  H     12.91060975     10.68268291    -16.96876364
  O     11.23708359     11.75063447    -14.49044798
  H     13.63375524     11.93869552    -10.54887622
  H     11.73813215     11.00048785    -17.92375002
  O     14.70474976     12.65898565     -9.21333211
  H     13.24433837     11.87236033    -12.03940812
  H     16.18891377      9.63413043     -8.00050259
  O     15.78307933     11.34449091    -14.39942008
  H     11.72275347     10.48590455     -8.34377896
  H     15.85304177      9.90048608     -9.48906451
  O     11.93983706     10.74093955    -17.02859129
  H     10.56979227     11.28672917     -8.95154758
  H     11.84960817     14.32811397    -10.12977247
  O     15.54376167     10.03840096     -8.57352915
  H     15.52621024     14.45872818    -11.62501880
  H     11.10739389     14.26802455    -11.49681897
  O     11.78884771     14.73629043    -11.00120359
  H     15.73562426     13.50813034    -10.43123716
  H     11.86395242      8.86223018    -16.45480575
  O     12.03922744      8.05171276    -15.96298682
  H     11.22434420     11.45694646    -10.91332966
  H     11.89633207      8.28883389    -15.03425760
          69
 Ord_Energy   -248.552368    
 O   -2.52676177      -4.26494598       2.04640937    
 H   -2.56506062      -4.34877586       1.08564413    
 H   -2.06704426      -3.44014955       2.24658203    
 O   -9.05451107       2.43355393       2.06565523    
 H   -9.04397488       2.09567094       2.97094274    
 H   -9.72366524       1.91845286       1.59965169    
 O   -4.82426977      -1.53943837      0.758366525    
 H   -4.90656614      -2.20664668       1.45182025    
 H   -5.47937059      -1.73208487       7.55890310E-02
 O   -10.7821522      0.481999010      0.776552856    
 H   -10.7886057       4.84709023E-03   1.62621641    
 H   -11.6871319      0.536144376      0.482923239    
 O   -5.82643080      -4.58347607     -0.555619299    
 H   -4.86682701      -4.61476803     -0.636413276    
 H   -6.11300135      -3.77178741     -0.998470187    
 O   -8.25884151     -0.482492656      -5.61068021E-03
 H   -9.17360783     -0.195391372      0.104274683    
 H   -7.70190525      0.275705248      0.227892444    
 O   -2.93542504      -4.42236900     -0.785981119    
 H   -2.84610772      -3.48543024      -1.02638161    
 H   -2.40959930      -4.91849852      -1.40897155    
 O   -9.02199078       1.17970049       4.62448502    
 H   -8.23839283      0.600616455       4.61073732    
 H   -9.09269714       1.52381587       5.51055384    
 O   -4.71343231     -0.380510986      -2.89110470    
 H   -4.73668480      -8.26094821E-02  -3.79606938    
 H   -4.75541162      0.417190194      -2.33072829    
 O   -4.06071138      -1.03510332       4.14802599    
 H   -4.43779373      -1.85540545       3.79059672    
 H   -4.24346161     -0.317465365       3.52028799    
 O   -6.97537661     -0.574301839       4.42632532    
 H   -7.25835943      -1.16794884       3.71640372    
 H   -6.02941036     -0.697683513       4.53496838    
 O   -10.4867783     -0.784144402       3.15550971    
 H   -9.75166798      -1.38103652       2.95844555    
 H   -10.1271019     -0.126569986       3.76474237    
 O   -4.80063343       1.73377144      -1.24179780    
 H   -5.55391932       1.82817638     -0.642845631    
 H   -4.01689053       1.94357312     -0.720013797    
 O   -8.11966896      -2.07937503       2.32573676    
 H   -8.11164856      -1.57874155       1.49892926    
 H   -7.88397360      -2.99117255       2.12044668    
 O   -6.76467943       1.71150494      0.759327114    
 H   -6.08922148       1.47997522       1.41019166    
 H   -7.51470613       2.10139489       1.23217094    
 O   -1.58624232      -1.68939149       2.99403906    
 H  -0.896969259      -1.71628332       3.65480089    
 H   -2.39709735      -1.42902935       3.45911479    
 O   -1.25363421     -0.220225096      0.565459907    
 H   -1.65058482     -0.765743732     -0.125907272    
 H   -1.32653069     -0.721050739       1.38770413    
 O   -2.59484601       2.12932348      0.541749835    
 H   -2.01113939       2.87439203      0.654578388    
 H   -2.03737187       1.33086216      0.529448509    
 O   -4.50828934      0.808805048       2.13559365    
 H   -4.61940575       1.85197908E-02   1.58091533    
 H   -3.83318996       1.35106480       1.70973241    
 O   -4.93867731      -3.34055352       2.89305449    
 H   -4.12677383      -3.81764030       2.65888596    
 H   -5.69098854      -3.90011954       2.67238092    
 O   -2.89731669      -1.70555019      -1.17660189    
 H   -3.36108136      -1.27778864      -1.90633786    
 H   -3.49196243      -1.62441194     -0.412054181    
 O   -7.14834929      -4.68526030       1.79752803    
 H   -7.56308365      -5.53333664       1.92864823    
 H   -6.70014286      -4.71820402      0.933077574    
 O   -6.50549650      -2.02703881      -1.43492246    
 H   -7.23182964      -1.49409723      -1.07848465    
 H   -5.99125290      -1.47356403      -2.03597188    
          69
 Energy    -248.55231972222546     
  O     -6.75316070      2.29649795     -1.07488536
  H     -7.06800489      1.56747539     -1.62232018
  H     -6.10675535      1.81307705      4.38401458
  O     -3.23151154      2.10423044     -3.80175768
  H     -7.19646889      2.21324553     -0.21538196
  H     -0.35656622      2.38592792      2.44080909
  O     -7.74655535      1.61165182      1.34084310
  H     -3.73034508      2.73281415     -3.24883202
  H     -1.48931049      1.33375083      2.46701623
  O     -4.46973200     -0.44959783      2.21859433
  H     -3.21435580      2.47321903     -4.68088864
  H     -1.79737637      2.56649344      0.83821255
  O     -1.23788117     -1.05175228     -0.64264140
  H     -7.17497795      1.64083355      2.11518931
  H     -2.97303416      2.12925699     -0.08864086
  O     -4.50630739     -0.11948068     -2.62707427
  H     -7.80402093      0.68182608      1.07039261
  H      1.26464801      0.31058003      2.39664308
  O     -5.52123495     -2.67141904      0.89405604
  H     -4.95431714     -1.22980885      1.92068673
  H      0.07477824     -0.66163669      2.47824988
  O     -3.69721563     -2.33609432     -1.08848657
  H     -5.04725610      0.12231006      2.74010862
  H      2.19453283      2.71665210      2.02514172
  O     -1.04215312      1.35758024     -2.10703223
  H     -1.21957173     -0.26977018     -1.21089087
  H      1.42800872      1.93896002      0.93096866
  O     -1.73540903     -0.40488444      2.05020605
  H     -0.32325444     -1.34598140     -0.54698003
  H     -7.68313139     -0.38576374     -3.30493841
  O      1.48969775     -1.52011828     -0.10480488
  H     -4.39947731      0.21911840     -1.72273840
  H     -6.29607982     -0.19659702     -2.64590151
  O     -5.84146029      1.61638901      3.48940135
  H     -4.07230723      0.52833519     -3.19396859
  H     -3.99168315      3.99121193      1.96494480
  O     -1.31156514      2.28428109      2.54235270
  H     -4.86352432     -2.60312039      0.17865261
  H     -3.02991411      3.11117377      2.79496186
  O     -2.17690279      2.68428589     -0.04211432
  H     -5.59540461     -3.59639038      1.11270946
  H     -7.01518575     -1.59696673      0.43999300
  O      1.04028957     -0.62764808      2.42215610
  H     -4.01102839     -1.75390882     -1.79147521
  H     -7.61669387     -0.76512528     -0.70863285
  O      1.41807502      2.18437868      1.87337808
  H     -2.80286840     -2.02527542     -0.89371345
  H     -4.47060464      0.54688624      0.66184704
  O     -7.25324767     -0.12644089     -2.49411573
  H     -1.36266901      1.90229663     -1.36914512
  H     -5.22368301      1.52054346     -0.31459896
  O     -3.94412633      3.41857569      2.73772611
  H     -1.64656112      1.54630670     -2.83220993
  H     -3.02634340      4.22928280      0.06264103
  O     -7.69320802     -0.94220427      0.23667036
  H     -2.68154292     -0.50273120      2.22350323
  H     -3.15124924      5.75834884      0.25359564
  O     -4.38508615      1.07148125     -0.14299427
  H     -1.60428270     -0.60019052      1.11181027
  H     -5.51158774      3.34206508     -1.90408323
  O     -3.66087436      4.95209140      0.21103037
  H      2.11531070     -2.23671727     -0.16125912
  H     -4.41239492      4.32710021     -1.49504651
  O     -4.71211387      3.78134858     -2.22952688
  H      1.40413202     -1.29095166      0.83830836
  H      0.69121654      1.38088092     -1.31755795
  O      1.43057763      1.28334310     -0.70450943
  H     -5.18985413      2.29440334      3.23570883
  H      1.57517838      0.33246593     -0.61923472
          69
 Energy    -248.55212065960200     
  O     12.27151729     12.36437823    -13.11528538
  H     13.05313628     12.51273818    -13.67297651
  H     17.90017597     11.85197830    -16.82461917
  O     19.12751986      9.76859697    -12.21050897
  H     11.93390045     13.22627160    -12.88303749
  H     13.27304748      9.10786807    -16.49700363
  O     15.64926680     10.36985164    -11.31734832
  H     18.92639778      9.80611549    -13.15801011
  H     12.11350290     10.10831774    -16.30696388
  O     11.01321772     10.49041939    -14.93311375
  H     18.76520220     10.57915789    -11.83811202
  H     16.52121532     10.08308695    -14.27798658
  O     14.14875448      8.01159172    -15.10140104
  H     15.61026361     10.27959521    -12.28398248
  H     15.11754643      9.39955087    -14.39374392
  O     14.96166262      6.11587577    -13.25872216
  H     16.33965573     11.02025580    -11.14801769
  H     13.71475502     11.24403505    -17.33914691
  O     18.64267827      7.13846344    -11.89293526
  H     11.13435200      9.67955147    -14.41968302
  H     13.87755134     12.50394870    -18.22509454
  O     14.50713978     12.56131409    -14.72578168
  H     11.31955990     11.20051036    -14.35756614
  H     13.03687916      8.42434382    -10.44115589
  O     15.98971911      7.60800924    -11.11858561
  H     14.53264680      7.27815752    -14.59967718
  H     14.25473566      7.48073186    -10.36633555
  O     16.81982626     10.81619095    -17.69821105
  H     13.32785000      8.21342131    -14.62651498
  H     18.47235791     10.71958762    -15.29917709
  O     17.51176292      6.37987180    -14.46480371
  H     14.09150464      5.81842756    -12.96880949
  H     17.90201592      9.27526575    -15.45600084
  O     18.49470085     12.32431597    -16.21332781
  H     15.31663918      6.64607242    -12.52908467
  H     16.21620566     13.20177962    -14.12584994
  O     12.83055993      9.85535593    -16.90966212
  H     19.38825128      6.69657991    -11.49548821
  H     17.65078324     13.03251565    -14.65269378
  O     15.59289851     10.15006602    -14.01874530
  H     18.87393786      8.08326320    -11.95143578
  H     18.13005088     12.89403683    -10.86695726
  O     14.26742468     12.03285050    -17.49354781
  H     14.88387098     11.70243578    -14.47429074
  H     17.57739478     12.59739432    -12.27870575
  O     13.29619055      7.51697099    -10.24143594
  H     14.40293564     12.53316668    -15.68488776
  H     13.83953046     10.26989363    -11.28725954
  O     18.27342338      9.90348846    -14.82258258
  H     16.91498664      7.37225424    -11.26322371
  H     12.58978101     10.92481108    -11.90611483
  O     17.14285470     13.24216766    -13.85937194
  H     15.94962435      8.57471903    -11.12356022
  H     17.14366464      7.46020177    -15.86565030
  O     17.78484469     12.19545312    -11.41657096
  H     16.76076248      9.88414561    -17.46159582
  H     15.82092383      8.12780613    -16.23703513
  O     12.89459598     10.13155381    -11.44799346
  H     15.92426499     11.17820985    -17.68037802
  H     12.31026608      8.92978290    -12.70595515
  O     16.76505394      8.16016735    -16.42392583
  H     18.01618538      6.63223039    -13.68268572
  H     11.95167738      7.45711219    -13.04729293
  O     11.99000832      8.34903537    -13.41193080
  H     16.66857275      6.05626945    -14.12187167
  H     12.63336357      6.36492161    -11.37817351
  O     12.34864872      5.83851709    -12.14789899
  H     19.20191442     12.68659944    -16.74028063
  H     11.78133336      5.14742053    -11.81780100
          69
 Energy    -248.55201340132743     
  O     15.47702399      9.91468664    -14.22136741
  H     14.70816278      9.36488927    -14.34476467
  H     18.84421103     12.00998415     -7.74202164
  O     18.56474193     14.46173676    -16.77429509
  H     15.90345988      9.61402768    -13.39836723
  H     20.08608200     15.61235675    -11.28579469
  O     21.50838284      9.04829842    -14.47510983
  H     19.34758594     13.97351134    -17.05733300
  H     20.16780181     17.15545696    -11.31399268
  O     19.44868605     14.06435915    -10.61447282
  H     18.77249412     14.84520728    -15.91278783
  H     21.03155909     13.06189148    -10.95583701
  O     20.43059790     10.32277525     -9.91310734
  H     22.32190961      8.55292191    -14.53316875
  H     22.59036532     12.99196454    -10.92801031
  O     16.70842293     11.53321664    -10.49825211
  H     21.74966615      9.94424308    -14.17978169
  H     17.65157919      8.92971023    -12.00811449
  O     20.21535347     10.38929603    -16.68853009
  H     18.73423395     13.90685743    -11.24823866
  H     16.67474739      9.94315631    -11.36324073
  O     21.65667524     14.06285366    -14.98879786
  H     19.24757180     13.52231232     -9.83995778
  H     21.29932977     12.88558029    -18.28014007
  O     21.84065012     11.64060682    -13.68069851
  H     21.05361672     10.96805867    -10.27664723
  H     20.67648728     11.99686988    -17.17812904
  O     15.40983286     12.80494745    -14.12818410
  H     20.12858177      9.79294859    -10.66108087
  H     22.08735952     15.97805087    -12.57280765
  O     17.56057828     10.70679594    -15.90597570
  H     17.34571175     11.70757916     -9.79522397
  H     22.62413924     15.12528078    -13.73949040
  O     18.83729982     12.12190154     -8.68841606
  H     16.82533270     12.24393794    -11.13688903
  H     19.56819184     15.74870154    -13.43105311
  O     20.36026446     16.37293301    -11.82495915
  H     19.26240298     10.35169883    -16.52614382
  H     18.56031342     14.60410405    -13.64942273
  O     21.78583068     12.47080055    -11.06845361
  H     20.62963173      9.82889495    -16.02294727
  H     23.68444150     14.68169068    -11.67379440
  O     16.72232544      9.18137219    -11.96087084
  H     21.51660414     13.73990769    -15.88809424
  H     24.89123934     14.27685640    -10.80608155
  O     20.88759445     12.91592800    -17.42051921
  H     20.80416451     14.40419843    -14.68301558
  H     20.17381497      8.82450496    -12.98377495
  O     22.89729201     15.61961469    -12.95623628
  H     21.88745871     11.86737653    -12.74048983
  H     19.22836020      9.98540828    -12.68551156
  O     19.21225479     15.15400133    -14.10271034
  H     21.91813536     12.46873958    -14.17201956
  H     18.61007207     11.27859054    -14.49087898
  O     23.96543865     14.10046358    -10.94631546
  H     15.60643296     12.98886228    -15.05530443
  H     19.98410269     11.61224935    -13.80137954
  O     19.53218443      9.13351119    -12.33615883
  H     15.32271891     11.84486611    -14.07236868
  H     15.77554636     13.25724707    -17.61541047
  O     19.03219061     11.53714964    -13.66098631
  H     16.86761255     10.29263094    -15.37402030
  H     17.07604095     13.60957111    -16.85425826
  O     16.28714594     13.03835575    -16.84150357
  H     17.14996448     11.47633862    -16.32188090
  H     18.09302769     12.73090805    -12.88384000
  O     17.52989069     13.45530127    -12.55877913
  H     19.39139871     11.41138328     -9.06152063
  H     16.69302967     13.37705524    -13.04110128
          69
 Energy    -248.55187058491924     
  O     13.52495565      2.50803155     -9.77588362
  H     13.35201362      1.72761746     -9.25439970
  H     16.99408501      6.68041737    -16.54693590
  O     18.41255668      5.01617315    -11.11446719
  H     13.31374686      3.27035198     -9.20849991
  H     17.20754371      6.91569589    -13.16977799
  O     13.86453815      8.57405001    -12.00312636
  H     18.27072800      5.29114182    -12.03216104
  H     17.78148370      6.28629121    -14.46920016
  O     14.39366285      9.14130159    -16.38947307
  H     17.79584850      4.29262433    -10.95244672
  H     11.16223063      6.96754133    -14.12610507
  O     17.71647036      7.36499410     -9.93797023
  H     13.88422171      7.61462418    -11.85434046
  H     10.64935076      5.51121100    -14.19332426
  O     15.53669258      5.68952821     -9.24387240
  H     13.42008569      8.94164364    -11.22814068
  H     14.37906142      5.88058609    -10.64716574
  O     16.04910550      3.38301211    -10.76299528
  H     14.26428973      9.91997554    -16.92399303
  H     14.34315641      5.37224728    -12.11592040
  O     12.81461988      7.82678871    -14.47913332
  H     15.22273213      9.27289686    -15.89518913
  H     12.11488712      8.39134328     -9.25997786
  O     15.33137184      6.50382040    -17.01955742
  H     18.40227299      7.71910270     -9.37769833
  H     12.64709129      9.77787933     -8.87557901
  O     13.12052365      4.73711826     -8.23924688
  H     18.06145460      6.53411875    -10.31353098
  H     11.05841716      6.46090007     -9.64366941
  O     16.76185562      9.27769762    -15.06024198
  H     15.84025991      4.88215498     -9.68634083
  H     10.33553435      6.81592773     -8.32333940
  O     17.88232574      6.88390291    -16.20109968
  H     16.23020684      6.34967338     -9.35349554
  H     16.99423099      8.22592802    -11.48447225
  O     17.55750099      6.09694029    -13.55002109
  H     15.26252204      2.94337513    -10.41577943
  H     15.66856549      8.58084705    -12.21493363
  O     10.46021149      6.37914462    -13.81673364
  H     15.83620974      3.60755984    -11.68158114
  H     10.77339371      6.07530279    -12.07769476
  O     13.87550924      5.91704837    -11.47063534
  H     13.24861500      8.33750507    -15.17398633
  H     12.10902827      5.80574303    -11.32638390
  O     12.59614034      9.15904945     -9.60049824
  H     13.12286500      8.19005338    -13.63763944
  H     16.17068676      4.96805121    -13.41638492
  O     11.18704212      6.83621125     -8.75310686
  H     14.75353141      5.92995716    -16.49932987
  H     14.78769592      4.57360164    -13.99744855
  O     16.61762637      8.44162939    -12.34603769
  H     14.94386058      7.38638872    -16.96413262
  H     11.35192789      3.95733644    -11.58446936
  O     11.14324561      5.78910873    -11.23037678
  H     12.46582492      5.43973456     -8.31298382
  H     12.34865714      2.82523038    -11.29302064
  O     15.38949284      4.41866307    -13.25723548
  H     13.98166138      5.15539581     -8.38185870
  H     11.50531690      3.42032803    -13.64889448
  O     11.68888167      3.11915330    -11.92992245
  H     17.28221581      8.56480071    -15.45132547
  H     10.84703673      3.03007357    -14.99209788
  O     11.35920568      3.71222263    -14.56622796
  H     16.78139970      9.13372995    -14.10556314
  H     12.84120078      4.65225867    -15.09195931
  O     13.60713557      5.23151859    -15.19426459
  H     18.49905978      6.72623217    -16.91023571
  H     13.33553307      6.11413368    -14.90209021
          69
 Energy    -248.55177973963092     
  O     11.85543348      9.05206096    -14.45101523
  H     12.35916464      8.44575456    -15.01093818
  H     16.47186866      5.20302212    -14.27556322
  O     16.84752521      6.38877600    -12.85233407
  H     12.31744557      9.89626352    -14.50003837
  H     19.35911565      7.78180966    -13.83334375
  O     16.98331486     10.47411205    -10.56695654
  H     16.32595474      7.05904708    -13.32209892
  H     19.04943886      8.85832084    -12.78574730
  O     17.58486944     10.03305740    -15.22440575
  H     17.72897942      6.77181033    -12.77603752
  H     14.65757279     10.90545824    -15.99492367
  O     13.29714834      4.78230631    -14.93583762
  H     16.32709992     10.37462827     -9.86277302
  H     16.14357473     10.57737312    -16.25207006
  O     15.16684576      9.54044612     -8.71388714
  H     17.62066411      9.76019934    -10.40069523
  H     15.21249703      9.03328527    -13.42582943
  O     14.96381174      6.20794584    -10.85680987
  H     17.91177492     10.41655610    -14.40030847
  H     16.22185993      8.90945366    -14.59159418
  O     14.73766142     10.31633111    -12.23904748
  H     18.23552230      9.37319654    -15.49800138
  H     11.35438795      8.21550467    -13.01300548
  O     17.18009302      6.76591644    -16.84184468
  H     13.35262138      5.68430291    -15.29551632
  H     10.20548510      7.78020548    -12.07238769
  O     16.51676746      6.95580534     -8.74134234
  H     12.77107986      4.27251652    -15.54721103
  H     18.00625863      7.74406165     -9.64009862
  O     19.33157044      7.88096903    -15.72449539
  H     15.64174055      8.71607523     -8.54923414
  H     18.93136187      7.91642229    -10.88272082
  O     16.17693634      4.84533984    -15.12353365
  H     14.39196455      9.28475124     -9.23060392
  H     12.13216293      6.06421728    -12.23551895
  O     19.20701179      7.91121335    -12.88768698
  H     15.66485931      6.21008832    -11.52451962
  H     12.91985675      5.06681969    -13.11474235
  O     15.27881270     10.63751642    -16.68200982
  H     14.19602559      5.77008592    -11.25376553
  H     19.34547135     11.36560319    -12.51372358
  O     15.53506029      8.43181032    -14.10905767
  H     15.54262953     10.45721342    -11.72538940
  H     18.02473332     10.79154532    -11.96471665
  O     11.14854534      7.72148222    -12.19959205
  H     14.16535013      9.74994897    -11.69978186
  H     13.96159006      7.59338568    -16.66712744
  O     18.62441943      8.34487018    -10.07708944
  H     16.45781292      7.22133381    -17.28487065
  H     14.29802579      7.68783887    -15.16494087
  O     12.76150747      5.33378302    -12.20059905
  H     16.79540779      6.04700021    -16.31775537
  H     12.53060109      8.28585135    -11.09221248
  O     18.62525595     10.77659185    -12.72800122
  H     16.53670346      6.29697036     -8.05165716
  H     13.93715211      7.73790127    -10.73829480
  O     13.63375664      7.35772904    -15.79083230
  H     15.93296034      6.61106634     -9.43835647
  H     13.26318074     12.28462664    -14.34762251
  O     13.37256045      8.52283921    -10.68513356
  H     18.58282218      7.41941060    -16.14746955
  H     13.98071531     11.10521522    -13.65605451
  O     13.54441841     11.38193869    -14.47919563
  H     20.08848946      7.74646462    -16.28786359
  H     14.89026474      8.44345035    -18.95483930
  O     15.00405739      8.29192664    -18.02071137
  H     15.23322575      4.67730691    -15.02696884
  H     15.08850325      9.16780069    -17.60200966
          69
 Energy    -248.55174031953223     
  O     15.54304624     12.58985356    -12.80385115
  H     15.90084400     11.76754502    -12.44477060
  H     17.20170862     10.25472560    -16.77213209
  O     17.37653207      7.49096172    -11.95324583
  H     14.66137779     12.66960304    -12.41894592
  H     14.60948700     10.23577082    -15.00640930
  O     17.50756120      8.82787035    -15.67361574
  H     17.26698039      7.14349131    -11.05913245
  H     15.90177059      9.34136433    -14.96839184
  O     13.60526899     11.44013748    -16.01066639
  H     16.75522463      7.01631538    -12.52365419
  H     12.48749557     12.01608579    -12.45429861
  O     14.50810192      7.87340284     -8.77116223
  H     18.19199350      8.82498371    -14.98903583
  H     12.31660188     13.14161984    -11.40762502
  O     11.80396923      8.24649824    -11.19370418
  H     17.33862210      7.90833004    -15.91270216
  H     15.14060454      5.20718633    -11.97835644
  O     16.01272756      9.93738020    -11.99063040
  H     14.29965395     12.10793316    -15.92351741
  H     15.62030095      5.33262183    -10.51618232
  O     14.42813136      7.24900395    -17.19696909
  H     13.75603197     10.96918500    -16.84037461
  H     11.20575053      8.41149483    -12.76630761
  O     12.69933978      5.93234100     -9.85082941
  H     13.81153922      7.24607062     -9.00316433
  H     10.03571288      8.25802397    -13.77197845
  O     16.70530972      6.17682299    -16.21938052
  H     14.25731853      8.71242644     -9.17874333
  H     18.69714284      8.20307009    -12.94468797
  O     13.36815210      7.42432030    -14.60019376
  H     12.46439749      8.89439322    -10.91512925
  H     19.84480377      9.22018808    -13.06818594
  O     16.80195353     10.97597306    -17.27964325
  H     12.03695013      7.41566941    -10.76293514
  H     16.05438122      5.95608823    -14.42790354
  O     15.07344865      9.54897258    -14.51394342
  H     15.60588884      9.82784960    -12.86525845
  H     14.72706741      6.46056922    -13.83617908
  O     12.90841824     12.44927475    -11.68902536
  H     16.56821624      9.16011820    -11.86619873
  H     17.21188581      6.24304888     -8.64990020
  O     14.92508480      4.95731548    -11.07062050
  H     14.40220894      8.14005156    -17.56417554
  H     15.98305400      7.03838633     -9.15259014
  O     10.94813226      8.52389752    -13.70148230
  H     13.90340699      7.26679638    -16.38409555
  H     14.38459896     10.09615164    -19.17031798
  O     19.27559764      8.65265486    -13.58199858
  H     13.44052771      5.52980091    -10.33668426
  H     15.35701947     10.30060849    -17.98291025
  O     15.58113254      6.07285913    -13.59562471
  H     12.22454252      5.21832237     -9.43426528
  H     13.41227980     10.93326322    -10.65486289
  O     16.73749115      6.49157564     -9.43823673
  H     15.89285040      6.50092489    -16.65051268
  H     14.59332154      9.98294859    -10.90157096
  O     14.48495843      9.94486457    -18.23394714
  H     17.07273132      5.50517212    -16.78729272
  H     15.79640126     12.87654590    -14.50462949
  O     13.78039028     10.08437025    -10.38367744
  H     13.94412385      8.20203489    -14.51975629
  H     16.08677119     13.93813895    -15.58734850
  O     15.86083555     13.01960527    -15.46589884
  H     12.48660609      7.70773749    -14.33357222
  H     11.49375798     10.33103866    -13.84644473
  O     11.83838181     11.23160508    -13.84712997
  H     16.62749113     11.68937075    -16.65417919
  H     12.35241755     11.33241216    -14.65917926
          69
 Energy    -248.55167557957685     
  O     16.12787529     10.11479780    -11.92869787
  H     16.65516081      9.37978528    -11.58508462
  H     10.51462528      6.44348336    -11.86546665
  O     16.72456286      6.37686981     -7.36686396
  H     15.85995769     10.61147908    -11.14423553
  H     13.29959297      9.05614402    -16.02017344
  O     15.35971119      5.84212669    -11.74042674
  H     17.53320820      6.31312239     -7.89081599
  H     13.60568769      8.76277970    -14.53477612
  O     11.16405359      4.81739058    -11.34136949
  H     16.35330565      7.24786368     -7.55624253
  H     12.56485695     11.68827913     -9.88458221
  O     17.09336532      4.15617309    -10.28452799
  H     15.04951885      6.47815085    -12.39760360
  H     12.22959056     11.00596986     -8.54514658
  O     15.28974607      4.16930025     -8.04870948
  H     14.62764119      5.68254827    -11.12783207
  H     14.88402976     11.11231468    -13.12748034
  O     17.10475447      7.77801125    -10.70963983
  H     11.17741249      3.91161258    -11.64067075
  H     13.78167881     10.85671580    -14.18308670
  O     15.49823498     11.39050490     -9.42373035
  H     11.94211270      4.92190593    -10.77260114
  H     18.29274287      5.29135915     -9.68684487
  O      9.44661295      9.39705171    -10.31023015
  H     16.49608124      3.97703815     -9.54736965
  H     19.72211893      5.75557090     -9.31121795
  O     15.68270959      8.75413924     -8.50726038
  H     16.55505987      4.60685549    -10.94963518
  H     13.22566406      6.19935391     -9.36209497
  O     12.64955306      8.72794772    -11.34520701
  H     15.76351284      4.95962245     -7.73236437
  H     13.97369721      4.85308735     -9.16113273
  O     10.35972747      7.37664398    -12.05982721
  H     15.20696888      3.58125655     -7.30280694
  H     11.27051097     11.53233929    -11.96107999
  O     13.05905388      9.30211097    -15.12979014
  H     16.51485733      7.10008005    -11.06968892
  H     12.80225683     11.61705133    -12.31371586
  O     12.86009376     11.60057877     -8.96453534
  H     17.83447833      7.30773042    -10.28867886
  H     11.22490498      9.24459251    -14.51698180
  O     14.10294474     11.50057050    -13.53983370
  H     15.92561202     12.20486353     -9.17160676
  H     10.27112876      8.47310231    -13.56361619
  O     18.80964960      6.03044533     -9.31712393
  H     14.55042253     11.49990453     -9.22609325
  H      8.87485540     11.79661369    -12.93128879
  O     13.41694788      5.34506347     -9.77754539
  H      9.36527415     10.10721802    -10.95710072
  H      9.77130245     10.55793819    -13.17629462
  O     12.16332540     11.47821698    -11.59949906
  H      9.59367002      8.59610441    -10.83145884
  H     10.40947038      9.66404186     -7.32402610
  O     10.33340558      9.24052586    -14.15051488
  H     16.15019945      8.38465485     -9.27088048
  H     10.41814493      9.54331640     -8.86431949
  O      9.54171436     11.24865741    -12.52758197
  H     15.66460476      9.70756741     -8.65590596
  H     12.38620868      8.43396628     -8.36364822
  O     10.99005182      9.61350529     -8.07875503
  H     12.46453244      9.67580575    -11.38030278
  H     13.94192623      8.23144305     -8.53930857
  O     13.06924576      7.86325901     -8.73780619
  H     12.82343637      8.48265568    -10.42835434
  H     15.20075348      8.77167361    -12.88372234
  O     14.54915583      8.11088916    -13.15201489
  H     11.18039028      7.83802030    -11.82598307
  H     13.81395616      8.24225556    -12.52904690
          69
 Energy    -248.55155185517947     
  O     13.94495887     13.11608264    -11.00781489
  H     14.88567555     13.16986301    -10.78319039
  H     13.79898740     13.65023862    -16.29602094
  O     15.06743965     11.22464931    -18.17347180
  H     13.56125156     12.38947661    -10.50197622
  H     12.73244525     14.29252150    -14.40156677
  O     16.73470916     13.17346979    -10.87935930
  H     14.93131760     11.38842527    -19.10247112
  H     11.53608770     14.39489776    -15.37517933
  O     13.91868491      9.58624494    -16.20364440
  H     14.90000861     12.06547904    -17.70950075
  H     17.77678466     10.59657067    -12.38319580
  O     14.88807550      7.06193002    -12.39232575
  H     16.70970496     14.01283077    -11.35397732
  H     18.57069324     11.57507966    -13.26986756
  O     15.47634922      5.96106117    -14.98361421
  H     17.33114881     12.60325249    -11.39083875
  H     12.79622324     10.51385038     -8.94104266
  O     14.81344121     11.55257987    -13.19980967
  H     14.20936646     10.09128340    -16.97342692
  H     14.11494940     10.58342187     -9.74565083
  O     11.78471532      9.71169411    -12.13046351
  H     14.72748302      9.28014380    -15.76988092
  H     16.75716303     10.73414287    -17.39448110
  O     16.35440761      8.61112869    -15.13806178
  H     15.17453449      6.54790322    -13.15704688
  H     17.18393593      9.72164764    -16.31272875
  O     18.84265793     12.01331148    -15.12386725
  H     13.92421911      7.07968878    -12.44465600
  H     13.16038807      7.85995240    -15.87883412
  O     12.40418105     11.13438498    -14.47227905
  H     15.64277224      5.10754351    -15.37269604
  H     12.60328896      7.05268569    -14.67890850
  O     14.63494209     13.45862102    -16.73695050
  H     14.57653419      6.22599366    -15.24972950
  H     16.28053589     11.44351140     -9.96696420
  O     12.30404944     13.86906258    -15.16743665
  H     14.55781736     12.09485014    -12.44280103
  H     16.14004140     10.03857240    -10.57649136
  O     18.28338585     11.41840219    -12.36301651
  H     14.00069560     11.36676289    -13.68701039
  H     16.47306894     14.68986488    -13.46698546
  O     13.15293770     10.72259187     -9.80079632
  H     11.91690874     10.28725063    -12.89596926
  H     16.96201194     16.07999262    -12.99643544
  O     17.50791344     10.45143003    -16.86035274
  H     12.24879596     10.10135578    -11.38129416
  H     15.78728186      8.56859156    -12.30497624
  O     13.02381954      6.96429697    -15.54493572
  H     16.18531195      7.66007705    -15.15114935
  H     15.71361121     10.10826482    -12.66314303
  O     15.87148391     10.58170842     -9.82527274
  H     16.45489742      8.86549183    -14.21288506
  H     13.49252882     14.36725958    -12.25606313
  O     16.39940996     15.34866766    -12.75441269
  H     18.41955836     11.43791711    -15.78695010
  H     14.44073512     15.30489339    -12.99410768
  O     16.30535954      9.38370380    -12.40177021
  H     19.70782587     12.22905033    -15.46077589
  H     11.38747367      6.62734142    -12.48633453
  O     13.54071588     14.96287655    -13.01796614
  H     12.82124042     10.61038242    -15.17195689
  H     11.92925576      8.07192372    -12.59057419
  O     12.08472289      7.15187549    -12.87039853
  H     12.28096869     12.03765029    -14.79035137
  H     17.30349706     12.94423527    -14.81098365
  O     16.44609251     13.33659714    -14.60400102
  H     15.31325167     13.50708356    -16.04960842
  H     15.92908438     12.67028419    -14.12701193
          69
 Energy    -248.55116457454616     
  O     14.08958283     10.10642663    -16.49440837
  H     14.27576310      9.59349146    -17.28609083
  H     19.93779459      6.04996004    -16.70591495
  O     13.71946561      3.66129611    -15.96150036
  H     13.48424262      9.57455277    -15.95258932
  H     17.12574503      9.56087176    -16.23178668
  O     17.92314134      6.63017579    -11.90762054
  H     12.98885631      3.04840482    -15.97309084
  H     16.60521155      8.76224509    -17.46002719
  O     19.01318480      6.90438974    -17.87990717
  H     13.88369293      3.88292912    -15.02846811
  H     16.93375448      7.38895425    -15.93335173
  O     16.75600774      5.82911825    -19.27061822
  H     18.75729138      6.70534306    -12.39117538
  H     16.43042138      7.21171930    -14.48878822
  O     13.79609431      6.47488253     -9.87257512
  H     17.34004074      7.32583462    -12.24522299
  H     12.98129985      7.61730829    -15.51027562
  O     14.28554544      4.42770484    -13.39033669
  H     18.32926027      6.48622452    -18.41709038
  H     12.84672588      8.05495907    -14.05321357
  O     16.14686389      8.35511999    -13.09656337
  H     18.62707187      7.73750948    -17.57615216
  H     16.79630503      2.28810461    -10.15661779
  O     17.90553038      4.35331362    -15.39822432
  H     16.78198390      5.45046969    -20.14594835
  H     16.60235750      3.33994450    -11.27271259
  O     13.55156909      3.76810243    -10.83443905
  H     16.49375838      5.11100041    -18.66785239
  H     13.76580188      5.47379009    -16.40567990
  O     16.14437684      3.82695727    -17.51658538
  H     14.74953075      6.31832334     -9.74816423
  H     14.87895293      6.47242054    -16.01571909
  O     20.39029573      5.54261747    -16.00702001
  H     13.47663172      6.88317619     -9.07255658
  H     20.26440190      6.40900044    -14.35795400
  O     17.38461335      8.92204120    -16.90581327
  H     15.24109328      4.36896191    -13.25774491
  H     20.83674503      7.55347886    -13.51484889
  O     16.55515263      6.74264819    -15.32362227
  H     13.88220918      4.12022753    -12.56445316
  H     17.33516419      5.02198457    -12.47683696
  O     12.64830458      8.33612817    -14.95354599
  H     15.24340733      8.06123850    -12.90944046
  H     17.39869567      4.04284917    -13.68034580
  O     16.30321074      3.07116471    -10.38709667
  H     16.11281563      9.16554934    -13.61929363
  H     16.45886188      4.88085620     -9.73291842
  O     14.00883038      6.40520898    -16.43730800
  H     18.82005963      4.58427040    -15.59607786
  H     17.04079606      6.18638418    -10.31347583
  O     20.18089168      6.85923436    -13.50561214
  H     17.41797617      5.19456644    -15.37609063
  H     15.68564695      7.38475220    -18.84273634
  O     17.01721283      4.16633136    -12.80164576
  H     14.40937530      3.41272583    -10.56734593
  H     14.62457251      7.49270086    -17.75167991
  O     16.42767341      5.84191949     -9.65035887
  H     13.48906774      4.63803389    -10.42013590
  H     13.86833066      6.23481766    -12.97969436
  O     15.16616841      8.03143098    -18.34852055
  H     15.30539297      3.67505429    -17.06715378
  H     13.65283461      6.99270467    -11.65096549
  O     13.72904421      7.11526762    -12.60594931
  H     16.81320185      3.84812471    -16.81864543
  H     16.30106839     11.47509222    -14.70706599
  O     16.19480596     10.54393389    -14.88178650
  H     21.17222630      5.16616596    -16.40173770
  H     15.40122508     10.45158943    -15.44143961
          69
 Energy    -248.55103871859947     
  O     16.14334661      5.36479545    -13.23613143
  H     16.71630837      5.75888996    -12.56796103
  H     18.22941576      6.10345935    -10.59864772
  O     16.71764878     14.13817694    -13.33214743
  H     16.71303940      5.15040396    -13.98797069
  H     19.06514929     10.05234282    -17.00937954
  O     19.97922499      9.28360287    -14.05680176
  H     17.12690285     13.57119709    -14.00010580
  H     19.84917553     10.19541502    -15.68077396
  O     16.82004266      5.94138602    -18.01856594
  H     15.80413537     13.83497919    -13.25900614
  H     16.82451362      8.28624325    -14.43577049
  O     15.57376729     11.66670604    -10.82490086
  H     19.71653431      9.93490115    -13.39130173
  H     17.67798393      7.07176144    -14.92398556
  O     15.29863064      8.85805571    -13.64416806
  H     19.16498503      8.81823475    -14.31241841
  H     15.06770537     10.18240067    -16.64115082
  O     17.76405920     11.99233676    -14.84203230
  H     15.95133560      6.20906321    -17.66098990
  H     16.08898027      9.43804886    -17.53000462
  O     20.23906440      6.72983294    -12.94487171
  H     16.65011172      5.43343386    -18.80674567
  H     16.21277948      9.06512770    -12.15851409
  O     13.88749684      6.52094972    -14.18110277
  H     15.92482950     10.76821550    -10.86052942
  H     17.23550588      8.30866544    -11.28376104
  O     20.62058880      5.42759865    -15.48381897
  H     16.33875364     12.24528420    -10.71332448
  H     14.25220129      6.69975184    -16.04100638
  O     17.82105089      5.28622469    -15.45785751
  H     15.11067293      9.64043110    -14.17963066
  H     14.62176951      7.79887712    -17.07565167
  O     17.99787945      6.57742993    -11.39412845
  H     14.66445467      8.16093084    -13.85035263
  H     17.50698434     13.75055615    -11.81282014
  O     19.60416047     10.66316401    -16.49358900
  H     18.39732020     11.70065206    -15.50930298
  H     18.27448561     14.07565996    -10.50764085
  O     17.65586667      8.03470833    -14.85626254
  H     18.06720640     11.63550505    -13.99523153
  H     18.57163705     11.82006313    -11.82406596
  O     15.15083260      9.51000062    -17.33008673
  H     20.43513873      6.19061566    -13.71892612
  H     18.05675183     10.36639505    -11.99819306
  O     16.82254846      9.17046718    -11.41096006
  H     20.33955346      7.64551861    -13.23971085
  H     13.37728121     13.10531459    -12.62735635
  O     14.54805720      6.84063526    -16.94643508
  H     13.10622282      6.10331910    -13.82925161
  H     14.63258166     12.33281422    -12.15819461
  O     17.88693609     13.36088555    -11.00459192
  H     14.65467149      6.04860466    -13.80835447
  H     21.07171037      8.46623636    -16.93450907
  O     18.67624295     11.02071183    -12.35334380
  H     21.31792056      4.82712010    -15.73445510
  H     19.75022068      7.85677692    -17.38714154
  O     14.21779793     12.76737216    -12.92466875
  H     20.69352035      6.20182161    -16.06844925
  H     14.67182007     11.76939768    -14.43434891
  O     20.64841075      7.62621196    -17.11496926
  H     18.78297543      5.20348192    -15.48279986
  H     16.05377643     11.48265651    -15.06812585
  O     15.12348322     11.21000232    -15.07850608
  H     17.51182110      5.39499394    -16.36678052
  H     17.58927212      7.67802598    -17.90530163
  O     17.95668959      8.48820942    -17.52869149
  H     18.80583086      6.61586322    -11.93525738
  H     17.80915451      8.41335968    -16.57032767
          69
 Energy    -248.55099468200115     
  O      2.60239646      1.96945454     -3.39486070
  H      3.37681218      2.47101454     -3.63702800
  H      0.09628327     -0.16180274      0.09415420
  O      2.57686545     -2.73653609     -3.91458420
  H      2.83559493      1.45688188     -2.60103516
  H      1.84123514      0.51381618     -4.43364169
  O     -1.48563173     -2.21940490      1.36856445
  H      3.08198208     -3.25342031     -4.53679921
  H      1.80739591     -1.03082452     -4.55098412
  O      0.11371819      3.07596238     -2.48906943
  H      3.14834541     -2.58655367     -3.13992350
  H      3.40383135     -3.80631019      1.48682808
  O     -2.84214980      1.35817986     -1.07011670
  H     -2.00162378     -2.92352407      1.78442384
  H      2.08078128     -3.54396991      0.73768524
  O      0.33155817     -3.27277050     -2.33255106
  H     -2.03020909     -1.87622226      0.64440428
  H     -3.81218421     -4.08745760      1.46273576
  O      2.86459401      0.35700695     -1.24985370
  H      0.03621587      2.92224814     -1.53920346
  H     -2.60278329     -5.04002447      1.45300403
  O     -0.57026045      2.57769237      0.25342053
  H      0.97329446      2.74423075     -2.77244919
  H     -4.00184429     -4.37428864     -1.12942785
  O     -2.22674666      2.43897714     -3.65733988
  H     -2.79385830      1.72165114     -1.96241606
  H     -3.03087983     -4.10102733     -2.29351428
  O     -4.92876064     -3.25933326      0.12229377
  H     -2.16188885      1.81963462     -0.56648052
  H     -2.04172083     -1.74770312     -3.51347546
  O      3.92029182     -2.22246027     -1.64455017
  H      0.51678790     -3.64456935     -1.46145224
  H     -1.34692392     -2.93881302     -2.83754557
  O      0.02989370      0.03375469      1.04319641
  H      1.13629065     -3.24275215     -2.86503450
  H     -0.18050090     -3.31965150      0.71824692
  O      1.36250142     -0.22286842     -4.83226148
  H      1.96966657      0.03930675     -1.44725213
  H     -0.16565650     -4.79723622      0.27913996
  O      2.98104782     -3.20764476      0.87516050
  H      2.97774083      0.26503978     -0.29300479
  H     -0.29112032     -0.22706515     -2.33003601
  O     -3.06464013     -4.38964564      1.99563781
  H     -0.58050687      3.21690927      0.96176726
  H      0.33760377     -1.51964098     -1.79983505
  O     -3.32318145     -4.78649952     -1.67853709
  H     -0.32844484      1.72553376      0.65257295
  H     -2.17113936     -5.58001596     -0.63299952
  O     -2.22132978     -2.57010277     -3.03613800
  H     -2.57623605      3.14958974     -4.18703378
  H     -1.63071379     -6.91163643     -0.06407855
  O      0.39344127     -4.01303018      0.35997377
  H     -1.37644741      2.74727653     -3.29241011
  H     -0.38771621     -0.15983578     -4.41997871
  O      0.27555888     -0.57092861     -1.62944353
  H     -5.83260370     -2.95676646      0.14940671
  H     -1.62361837      0.72385013     -4.02151604
  O     -1.57773417     -5.96502946      0.03713104
  H     -4.38560707     -2.49452119     -0.13590379
  H      2.90189412     -1.30913367      1.33308392
  O     -1.25554463     -0.16640109     -3.98752269
  H      3.69212512     -2.63613280     -0.80368889
  H      1.84892600     -0.19109966      1.45360815
  O      2.80117383     -0.35175992      1.39550275
  H      3.71215534     -1.28428749     -1.53741094
  H     -3.09568680     -0.38287196     -0.79806091
  O     -3.14132454     -1.34369740     -0.69151053
  H     -0.50413305     -0.68205294      1.41115872
  H     -2.82298679     -1.74700018     -1.51064872
          69
 Energy    -248.55047979231196     
  O     16.24295578      9.22657964    -17.09119815
  H     15.28431823      9.12303836    -17.07359820
  H     17.75741764      6.10291737    -11.39654038
  O     16.74983943      5.18563889    -12.46973643
  H     16.62133877      8.58983835    -17.71224530
  H     19.24577980     11.12725569    -16.49584783
  O     16.11456084     13.07445563    -11.74978257
  H     15.81383166      5.31555979    -12.65705747
  H     20.77642478     11.36410796    -16.45805263
  O     18.89243759     10.17777482    -13.70458414
  H     17.20235426      5.20547131    -13.32500956
  H     16.41367478      8.26718414    -13.97067735
  O     16.26833235      5.53076364    -17.04863863
  H     16.81286309     12.45174953    -11.47128994
  H     16.80511056      8.60280042    -15.45662843
  O     15.04981488      8.36989734    -12.78776086
  H     16.32478375     13.92031333    -11.36469521
  H     13.61537537      9.63638830    -15.72032459
  O     16.57221457     11.88162267    -14.26420441
  H     18.31142758      9.45263413    -13.99086130
  H     12.71785569      9.40128797    -16.95665630
  O     20.19188548      7.81031791    -12.67342092
  H     19.42648042     10.42605499    -14.46989364
  H     17.25268361      8.16261561    -10.55211442
  O     14.02174456      5.81863051    -13.15352375
  H     16.73427420      6.07468606    -17.69324901
  H     16.04979420      8.73823273    -11.31275691
  O     20.76916488      6.41460587    -14.92442900
  H     16.89319997      5.41484691    -16.31947518
  H     14.72513670      6.02581056    -16.28394520
  O     18.04088997      5.69349710    -14.88357922
  H     14.57845859      9.05187265    -13.28080476
  H     13.75343886      7.22257943    -16.07570257
  O     18.35146754      6.64639840    -10.84833626
  H     14.57793132      7.53054538    -12.87028673
  H     17.52371855     10.44190327    -10.88253818
  O     20.09136011     10.76559209    -16.17264776
  H     17.31575208     11.31378510    -14.02663362
  H     18.47322810     10.93495906    -11.98782194
  O     17.14432757      8.30289339    -14.60281042
  H     16.39900801     12.43305225    -13.49078703
  H     14.52902664     12.09494980    -11.65082863
  O     13.49956588      9.08328274    -16.51162523
  H     19.86026547      8.69178658    -12.87484624
  H     13.90927674     10.85878437    -10.99345873
  O     16.65711213      8.92139412    -10.58260159
  H     19.58618197      7.43086265    -12.02317372
  H     20.21096073      7.48731901    -16.37365530
  O     13.96002217      6.33262142    -15.77374699
  H     13.26685622      5.29463436    -12.90165389
  H     19.99208751      8.96254345    -16.78168085
  O     17.98211854     11.23084362    -11.21331448
  H     13.97424580      5.93681663    -14.12089341
  H     14.94759593     10.98163715    -14.41608824
  O     13.77140854     11.49287865    -11.69632479
  H     20.61714686      6.90609740    -14.09709613
  H     13.76510225     10.92274311    -13.43192977
  O     19.85722703      8.05265801    -17.07111254
  H     21.59753799      5.95410078    -14.82290646
  H     17.12835160     10.82465392    -17.07046715
  O     14.08570490     10.56521203    -14.27273632
  H     19.00176139      5.73466182    -14.93798183
  H     17.21279394     11.95878155    -16.04508616
  O     17.62346087     11.62814004    -16.85442821
  H     17.74493023      6.61337839    -14.79280453
  H     18.51638731      7.61769354    -18.08547340
  O     17.72091402      7.43190440    -18.61735989
  H     18.62328350      6.09869085    -10.11619222
  H     18.00507405      7.37052437    -19.52505132
          69
 Energy    -248.54991695290317     
  O     13.32343474      7.82874479     -9.56593069
  H     13.91057229      8.60295206     -9.46927577
  H     14.19619199      7.68927302    -17.03657685
  O     16.80909666      5.21139621    -13.50494512
  H     12.64692011      7.90933762     -8.90035343
  H     19.68167651      7.92194805    -16.80598751
  O     14.50426053     11.62082904    -11.71083413
  H     17.66764784      5.22208255    -13.06564769
  H     19.26672520      7.80963042    -15.31804881
  O     16.69870080     12.08277899    -13.53842222
  H     16.95340018      5.24695511    -14.46346007
  H     14.21713340     10.86278827    -14.85900851
  O     11.37450343      8.53555571    -15.42740013
  H     15.27156438     11.85786774    -12.24400697
  H     15.50073214     10.30215509    -15.56021519
  O     17.68816417      6.58049436    -10.11954883
  H     13.80876609     11.40389670    -12.34189147
  H     16.39260897      6.98977959    -13.12010107
  O     12.95797162      6.48182721    -14.34247962
  H     17.01213072     12.96023186    -13.74455577
  H     16.24309813      8.25989963    -13.99708891
  O     12.83444596     10.39519682    -13.75055576
  H     16.11567624     11.81919827    -14.26967202
  H     14.67084111      5.31726729    -11.11280990
  O     13.38800350      9.31425483    -17.30509364
  H     10.46248615      8.29296587    -15.56980542
  H     14.42327696      6.36588555    -10.00447169
  O     17.08692771      5.52651399    -16.19904336
  H     11.82142862      7.74146881    -15.09324797
  H     18.69304675      5.97689408    -11.33910502
  O     16.44463790      8.81484987    -15.68394139
  H     17.66674655      7.50191023     -9.84194774
  H     19.85255485      5.04008506    -11.76373809
  O     14.63646214      6.94543841    -16.59804600
  H     16.77229627      6.26558717    -10.14780009
  H     15.19685784      4.64473315    -13.10820874
  O     18.94355602      7.73138615    -16.23406701
  H     13.25853493      5.64411161    -13.97076957
  H     14.21279842      3.49142941    -12.81595979
  O     14.95546099     11.09647766    -15.44115849
  H     13.11979672      7.12299078    -13.63195559
  H     17.29342644      9.14737713    -12.48699442
  O     16.15812309      7.92531684    -13.09239139
  H     13.10836412      9.67353689    -13.16124040
  H     17.61597109     10.64646470    -12.72492299
  O     15.06335870      5.72177903    -10.33291862
  H     12.16843185      9.99756364    -14.32053557
  H     19.21218062      8.69668580    -13.16484250
  O     19.19942214      5.64444986    -12.10491206
  H     13.84015469     10.06690930    -16.91050400
  H     19.57341628      7.19334725    -13.10485487
  O     14.27249015      4.44178360    -12.87969720
  H     12.61221712      9.15036339    -16.75259663
  H     17.90803624      9.64029488    -10.53528653
  O     17.94394449      9.84425001    -12.30141873
  H     16.25244778      5.90186889    -16.50971288
  H     18.44404604      9.83682272     -9.09791977
  O     19.66179927      7.98982414    -13.64390779
  H     17.76132581      6.20487742    -16.32923845
  H     15.90404221      9.80096602     -9.47967682
  O     17.75483499      9.41224608     -9.60288195
  H     15.83788366      8.15260518    -16.04697761
  H     14.79066011     10.56687131    -10.24691404
  O     14.95187768      9.94157229     -9.52530090
  H     17.33790909      8.56116475    -15.94637976
  H     13.38569827      8.07081290    -11.37371979
  O     13.56103888      8.20586652    -12.31148612
  H     14.08258543      6.70799175    -15.84265974
  H     14.51790347      8.13395377    -12.45141607
          69
 Energy    -248.54988311860836     
  O     18.83505819      9.98041924    -10.78639831
  H     19.47939984      9.26462077    -10.85414202
  H     18.68794916      5.17956595    -12.17011575
  O     18.82316618     11.92209940     -8.74864525
  H     18.11855227      9.62446109    -10.23573294
  H     16.04257809      7.60549359    -10.24848849
  O     13.25134497      8.63994870    -10.12739089
  H     19.23750109     11.40631829     -8.04422025
  H     15.56286745      7.06825210    -11.63046992
  O     17.26812514     10.01489931    -13.05271678
  H     18.92702098     11.39364506     -9.55048193
  H     20.28566069      7.65297338    -13.93556706
  O     20.28395528      7.61529957    -10.79872080
  H     13.69066163      9.46140197     -9.86270501
  H     21.74750397      7.14682195    -13.99427718
  O     20.31629977      7.90600324     -7.99584371
  H     13.95736513      8.02158790    -10.35490669
  H     17.92684351     10.15397519     -6.23331379
  O     18.18526792      5.74773054    -10.43512853
  H     17.86499203     10.05811662    -12.29097609
  H     16.62603353     10.87969824     -6.61391084
  O     13.45613125      9.46410749    -12.85519930
  H     16.58249769     10.67639431    -12.90568336
  H     18.31628840      7.71019145    -14.95498245
  O     16.32277433     12.40427982     -7.83726179
  H     19.54334398      6.99881604    -10.70681956
  H     18.39925069      9.08421742    -14.25603646
  O     15.01446798     11.63102493    -12.39387919
  H     20.65831836      7.46548694    -11.67540982
  H     16.09028191      9.63816412     -9.40384072
  O     14.85930145     10.91547356     -9.65706921
  H     19.77900710      7.13256136     -7.78811126
  H     16.78039202      8.58261529     -8.47189955
  O     18.92481392      5.12209319    -13.10456702
  H     20.47994749      7.86118310     -8.94653708
  H     19.97683974      9.38659668     -7.15916694
  O     15.58487201      6.86665127    -10.68375148
  H     17.26705009      6.01772992    -10.56137284
  H     20.46906941     10.36903525     -6.07371928
  O     20.95477814      7.12336737    -13.46554265
  H     18.30435104      5.62317608     -9.48462043
  H     14.64974575      6.43352522     -8.92809517
  O     16.96535489     10.11604115     -6.13528389
  H     14.08308974      8.78862768    -13.14808358
  H     13.57679434      7.40938833     -8.47041287
  O     18.92557185      8.42143312    -14.72108873
  H     13.13782873      9.17252108    -11.99142326
  H     16.24465886      8.50918205    -13.19486333
  O     16.76102407      8.94171105     -9.36660633
  H     16.27690241     13.27823332     -7.45889922
  H     16.06658983      7.14455565    -13.91531236
  O     19.75805353     10.21080318     -6.68931559
  H     17.22191093     12.29981109     -8.19936825
  H     17.77449700      6.36731038     -7.30961781
  O     14.20556901      6.76050817     -8.13552179
  H     14.70765620     12.41498041    -12.84194812
  H     18.51244055      5.04436791     -6.99281992
  O     15.65347358      7.74679725    -13.28468445
  H     14.39445729     10.91381268    -12.62178775
  H     16.57699673      8.40775532     -6.47634145
  O     18.46589909      5.75783232     -7.62410589
  H     15.25392613     11.53425883     -9.02742028
  H     15.65136883      7.31476674     -7.16087713
  O     16.55868476      7.54277822     -6.91210568
  H     14.95700475     11.28366128    -10.54512922
  H     17.78089098      5.68651042    -14.29574916
  O     17.20044962      6.12668458    -14.94268826
  H     19.71580895      5.66448507    -13.21546843
  H     17.04595256      5.50283920    -15.64652876
          69
 Energy    -248.54957866958313     
  O     13.31542957     12.54007696    -10.00754672
  H     12.40502916     12.38362362     -9.72064688
  H     11.91159167     14.57797442    -12.65875771
  O     11.05035138     12.10928125    -14.77700488
  H     13.30312735     13.30921745    -10.59404494
  H     16.68604032     13.18344118    -17.28774940
  O     13.80626938     10.34737883    -11.61899481
  H     11.09408677     12.40504480    -15.69497208
  H     16.82568992     14.18467843    -18.46360675
  O     18.45284025     12.53024567    -13.77713032
  H     11.12046999     12.90304797    -14.22622990
  H     14.28659779     15.12383981    -11.55493072
  O     10.68207045     11.89303466     -9.61380198
  H     14.75284354     10.41350871    -11.79667187
  H     13.88337132     14.00641938    -12.53856346
  O     11.19241118      9.48349193    -11.17782666
  H     13.60478493     11.10556400    -11.04758322
  H     11.93188543     15.17018972    -14.81481605
  O     13.24173855     10.52531728    -14.37513459
  H     18.06035383     13.41751956    -13.68035503
  H     12.08985404     14.67043987    -16.26035349
  O     16.06118749     15.52368752    -10.99666601
  H     19.39248971     12.63194993    -13.65201254
  H     14.05938010     12.21990341    -14.15974445
  O      9.37701646     10.93249081    -12.86898779
  H     10.72034847     11.03161331    -10.04647495
  H     14.80974515     13.57101048    -14.44136668
  O     15.18002052     15.01801148    -15.45341942
  H     10.11973339     12.44406659    -10.17214467
  H     16.61523893     11.21486627    -16.18870491
  O     13.94633036     12.18169384    -17.86232672
  H     12.13389775      9.66740384    -11.32064619
  H     17.68771476     12.04859087    -15.42884806
  O     11.13037013     14.41394424    -13.20668119
  H     11.13999826      8.58955668    -10.84658199
  H     12.36834714     12.79817981    -17.55254300
  O     16.21763490     13.86783532    -17.80185682
  H     12.40349198     10.98769817    -14.52111214
  H     11.00153536     13.24772546    -18.12451723
  O     13.53191955     14.60940697    -11.86301853
  H     13.35722579     10.40192071    -13.42403947
  H     15.14051313      9.13459118    -16.53611473
  O     12.44535352     15.29974068    -15.62126755
  H     16.14392093     14.64819124    -10.57681751
  H     14.43418321     10.14249775    -15.60163353
  O     14.56559784     12.93291836    -13.75748929
  H     16.35885683     16.16541088    -10.35742595
  H     15.72452493     11.97020573    -12.78019960
  O     17.27626030     11.91054463    -16.29034386
  H      9.96045568     10.34802819    -12.36972780
  H     17.19468170     11.56622520    -12.71230950
  O     11.49882254     13.16807678    -17.31522170
  H      9.87816428     11.22247113    -13.64401937
  H      8.19078954     13.55393863    -11.43677201
  O     15.09392791     10.06052777    -16.31092213
  H     14.24083101     15.24140649    -15.54226207
  H      9.09368522     12.44631254    -12.03237593
  O     16.33972682     11.38926193    -12.30398444
  H     15.50565652     14.74085493    -16.31837461
  H     16.88183344     15.22164055    -12.68775572
  O      9.10150520     13.30043096    -11.56330632
  H     14.67944318     12.80302295    -17.95557554
  H     16.57856534     15.12646645    -14.20166644
  O     17.25825969     14.95713487    -13.53564201
  H     14.31326497     11.40286337    -17.42847811
  H     16.31697577     12.39655938    -10.69601050
  O     16.09295967     13.00285639     -9.97801099
  H     10.40962998     14.18150777    -12.60838700
  H     15.17491632     12.80110769     -9.75151051
          69
 Energy    -248.54945769108900     
  O     13.49587300      7.72860360     -8.55052006
  H     12.78338154      7.07893479     -8.69075429
  H     11.72501242      7.46288400    -15.11805121
  O     13.62426560      4.93884823    -15.72107121
  H     13.46507910      7.97662943     -7.63008992
  H     16.17877692      8.62001382    -12.86910659
  O     16.82230417      6.32627766    -14.78212930
  H     14.23515428      5.36173799    -16.33745540
  H     14.80390942      8.07575524    -13.34633383
  O     10.18108879      5.62111910    -12.58530111
  H     14.17370161      4.46400034    -15.08670073
  H     13.69076199      6.29478411    -12.24956473
  O     17.96141003      4.83408181    -10.23522936
  H     16.48521876      7.12599095    -14.36145234
  H     12.81666462      6.90143195    -13.39137687
  O     11.54053448      3.88732469    -11.02822800
  H     16.50105737      6.32884796    -15.69310973
  H     11.49859933      5.24685705     -9.65247887
  O     17.11477474      8.20492795    -11.46022729
  H     10.58588330      5.91206108    -13.41425317
  H     10.81072998      6.62158563     -9.62302738
  O     13.26803093     10.40062197    -13.25862655
  H     10.01341100      6.41867527    -12.06899876
  H     18.41140409      5.65095433    -14.13424165
  O     17.75913763      3.08209148    -12.30726433
  H     18.60064086      5.49922140    -10.52073952
  H     18.77994015      4.41330514    -13.29530684
  O     14.68899316      8.81214321    -16.29750203
  H     17.18272214      5.32841337     -9.94822119
  H     14.57548915      4.39502096    -12.26166796
  O     12.01671922      9.31528368    -15.44655124
  H     11.02571391      4.45126649    -11.63444545
  H     13.29337432      4.31950455    -11.34311492
  O     11.66260650      6.57847177    -14.73844133
  H     11.09134512      3.04789218    -10.98326454
  H     15.19503792      7.32324422    -17.01760006
  O     15.55963851      8.62193772    -13.61652724
  H     18.00790807      7.84130677    -11.46963315
  H     15.78386761      6.47349843    -18.17329083
  O     13.45654276      7.11532883    -12.70047756
  H     16.60031613      7.62768614    -10.88020821
  H     16.26407889      3.56734331    -13.30605294
  O     11.42946772      6.06008957     -9.13910472
  H     14.17156779     10.07101368    -13.33080675
  H     15.96283370      4.86865518    -14.07060304
  O     19.13743158      5.23793610    -13.64584314
  H     12.96465985     10.12650927    -12.38331410
  H     20.51583055      7.07885740    -11.41867633
  O     14.14593602      4.75355806    -11.47193877
  H     17.79428127      3.65831166    -11.52220121
  H     19.51890924      6.28543415    -12.29633285
  O     15.51442119      6.43456958    -17.26009453
  H     18.10045567      2.23347233    -12.03869532
  H     10.83362171      8.36584112    -10.89403154
  O     15.55097135      4.05881838    -13.73511016
  H     15.09895402      8.87401201    -15.42401190
  H      9.31208261      8.52518759    -10.67182382
  O     19.60313499      6.81163675    -11.48113189
  H     13.75523741      9.00972001    -16.15965886
  H     15.00008839      6.87415305     -9.31085449
  O      9.99481403      7.87925904    -10.83427598
  H     12.39041234      9.74631625    -14.65789297
  H     15.13225441      5.76080427    -10.37414037
  O     15.64210034      6.39104472     -9.84279306
  H     11.41400802      9.94133368    -15.84001926
  H     12.86065870      8.30768481    -11.55637289
  O     12.52864441      8.96892359    -10.92562101
  H     12.29452343      5.99301073    -15.18598426
  H     12.92821529      8.74720754    -10.07646785
          69
 Energy    -248.54922635780258     
  O     17.00480335     12.09008561    -17.91871960
  H     16.86471947     11.63485748    -18.74475404
  H     17.09173573     15.20731245    -17.26619115
  O     18.22342984     17.75525960    -15.15531512
  H     17.93404018     12.38286778    -17.91382952
  H     20.24321447     12.74052089    -17.34362922
  O     20.04662159     10.75810039    -14.43323695
  H     17.46785303     17.34260311    -14.71379032
  H     19.38505647     14.01094517    -17.48895199
  O     16.56902305     15.63603297    -11.26063207
  H     18.73909658     18.16693355    -14.45164499
  H     13.99970043     13.23815601    -10.88953227
  O     14.21630896     15.53350320    -15.76274331
  H     19.19831986     10.33797502    -14.26246567
  H     14.51902203     13.40456229    -12.33607619
  O     17.08609581     11.75793731    -11.51008630
  H     20.07266881     11.50871112    -13.81793236
  H     18.02276492     14.55117811    -10.90179584
  O     14.13608648     13.26958859    -14.02389762
  H     16.44510569     15.95711820    -12.16619786
  H     19.47373147     14.50933199    -10.36163918
  O     21.57967926     12.19854062    -16.13518808
  H     15.90607144     14.94288584    -11.15112683
  H     16.39985452     11.71893046    -16.20914670
  O     21.23897748     14.73277769    -14.85148645
  H     14.89548903     15.28631813    -16.41532094
  H     16.53921718     11.03164945    -14.80179643
  O     18.61901665     17.51077317    -10.58810224
  H     13.55691633     16.03824170    -16.23101477
  H     21.37354163     16.25118545    -11.94803062
  O     19.94055232     13.08026945    -13.01139772
  H     17.75114910     12.34202993    -11.12782608
  H     21.55376534     16.00925631    -13.47944005
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  H     16.25743427     12.25087257    -11.46088462
  H     20.40088867     18.02520417    -12.93381316
  O     19.50205225     13.11573243    -17.83421390
  H     14.04052922     14.03282068    -14.60539464
  H     20.16167301     19.55342668    -12.91243552
  O     14.78149395     13.43647194    -11.39846861
  H     14.71499176     12.65189342    -14.49165018
  H     21.21354168     16.10537212     -9.35285297
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  H     19.99545287     16.51230817    -10.21933300
  O     16.10124092     11.74093953    -15.29082296
  H     22.37360573     11.71926374    -16.35714774
  H     17.32863251     10.59819000    -12.79859579
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  H     20.53718747     15.10884492    -15.39819032
  H     17.18613896      9.12281038    -13.23401924
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  H     21.51380985     13.91969761    -15.29548645
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  H     18.82419604     17.99055832    -11.40076294
  H     18.38961138     13.51875793    -13.90912698
  O     17.41492195      9.99083587    -13.55607485
  H     17.82027178     16.99412612    -10.75350406
  H     18.74588424     16.34077671    -16.05920053
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  H     19.62788548     13.43522544    -12.16933113
  H     18.47831392     14.83926186    -15.73502902
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  H     20.44038152     13.75915677    -13.48222474
  H     16.74631450     15.35647375    -14.06610631
  O     16.25203087     16.18151001    -13.93251301
  H     16.38999704     13.90672490    -17.69042348
  H     15.45943876     16.10566947    -14.47628563
          69
 Energy    -248.54882050625258     
  O      1.98080316     -0.49316149      4.56402023
  H      1.67571466     -0.95494550      3.77247592
  H      1.01961518      0.13258903     -0.44528114
  O      1.89695950      2.88685989      7.04970930
  H      1.73698339      0.43850202      4.48237498
  H     -3.18403980      2.48065879      2.10266208
  O     -1.55313362     -4.57384394      6.84297303
  H      2.53197233      2.39776536      7.57553544
  H     -2.40541805      1.14487934      2.04138400
  O     -1.13338148     -0.97018307      8.71109638
  H      1.02754037      2.62822474      7.39477684
  H     -1.97077204      1.73613615      4.26247567
  O      3.18855400     -4.11079843      6.28175004
  H     -0.71643722     -4.40091949      7.29680262
  H     -1.95354022      0.50459910      5.18530303
  O      0.93651426     -1.93197371      2.44592083
  H     -2.18957536     -3.93786900      7.18718436
  H     -1.24140297     -0.32868358      0.81167382
  O      1.61877746     -4.14794055      4.07738106
  H     -0.69591193     -1.07564917      7.84976050
  H     -2.10910938     -1.20176902      1.74001577
  O      3.59516765     -1.27623942      6.64438902
  H     -0.48917239     -1.28025644      9.35857929
  H     -0.85109484      0.89341596      8.22987842
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  H      2.66985218     -4.13231676      5.45663079
  H     -0.94926087      1.60897207      6.86468315
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  H      3.89026164     -4.74817370      6.18063510
  H     -0.59936156      2.33202783      1.98086003
  O     -1.74878893     -2.56022872      2.99734958
  H      0.94358140     -1.34989022      1.67594767
  H      0.75608186      2.30346291      2.70254444
  O      0.62349296     -0.04213109      0.40381078
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  H      0.45930582     -2.38396598      6.71093880
  O     -2.44380171      2.01351434      2.48080024
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  H      0.80662930     -1.20006650      5.74941448
  O     -1.62297965      1.40953221      5.10260597
  H      1.55187914     -3.42947134      3.43628059
  H     -1.38584971     -5.91682975      4.00267665
  O     -2.10940176     -0.38110240      1.23091077
  H      3.18760712     -0.96065491      5.82389604
  H     -1.30315631     -4.88439025      5.15069036
  O     -0.46779921      1.60300546      7.70312799
  H      3.58551908     -2.23713357      6.57881180
  H     -2.59991633     -1.90074645      8.23556886
  O      0.34923566      2.24431696      1.82736875
  H      1.43895534      0.57129553      8.01919804
  H     -4.04442585     -2.44058429      8.34871491
  O      0.11575079     -1.57762309      6.30762750
  H      2.71427112     -0.31070317      7.84191026
  H      1.77461819     -3.96947435      7.44493556
  O     -1.10458634     -5.02899701      4.20841536
  H      1.62332236     -1.13918487      9.52553559
  H      1.10921654     -3.22940144      8.65385539
  O     -3.27456838     -2.43696836      7.78572454
  H      1.59549741     -1.90686511     10.86930341
  H      0.14163360      1.86852522      4.73617945
  O      0.93092336     -3.76580684      7.87127546
  H     -1.60468196     -3.46735561      3.29413359
  H      1.44583761      2.48819174      5.31726644
  O      1.05690027      2.09908990      4.52197532
  H     -2.08532747     -2.08134628      3.76872081
  H     -1.46420164     -1.44529748      5.60972605
  O     -2.38610470     -1.27024760      5.35125990
  H      0.60513282      0.80464312      0.88588359
  H     -2.92620468     -1.63643851      6.05942208
          69
 Energy    -248.54877535230253     
  O     18.45726091     10.23914553    -15.33544253
  H     18.90508521      9.44478934    -15.66803142
  H     19.41257247      4.41802141    -13.93161819
  O     21.08903699      7.64999600    -13.54200105
  H     17.52736814     10.10921351    -15.54782005
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  O     17.00885566      7.88070972     -9.70428900
  H     20.71363159      8.46445702    -13.18376140
  H     15.11327880      9.49244328    -14.31884197
  O     13.29426210     10.18602171    -11.24671776
  H     20.72427334      6.92721680    -13.02010589
  H     18.22398886      7.34650624    -14.52806365
  O     15.77226643      9.41716503    -16.05563902
  H     16.53788518      7.10242123    -10.03655552
  H     17.49572782      7.81834382    -13.23287015
  O     12.10499198      7.58407457    -11.08752025
  H     16.32581244      8.44035871     -9.30756460
  H     14.47995052      6.22816187    -13.57593548
  O     15.37511524      5.82961001    -10.61833202
  H     12.94529332     11.06912624    -11.34145291
  H     14.35620102      7.70517177    -13.11057561
  O     19.43926099      5.54577750    -12.29268752
  H     13.82201146     10.01050132    -12.04283061
  H     20.03348086      6.83808269     -9.05918036
  O     17.20208561      3.88657881    -11.49905416
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  H     18.70144398      7.25580438     -9.70594989
  O     16.65971532      2.83183713    -13.91227814
  H     15.98748160      8.51905596    -16.36213223
  H     19.22877900      4.90724674    -17.79281354
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  H     18.95126649      4.89019522    -16.27259105
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  H     12.32530238      8.52376046    -11.11052520
  H     14.25286770      9.56987856     -9.66084379
  O     14.90425217      9.46358136    -13.37712686
  H     14.71217762      5.93468710     -9.92402486
  H     14.20249002      8.32667130     -8.75635056
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  H     14.96364602      6.14934584    -11.43407923
  H     20.25765977     10.97517865    -12.79369361
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  H     19.55159563      5.95918666    -11.42254321
  H     19.30532187     10.30034020    -13.81123112
  O     19.56228468      6.84739423     -9.88856297
  H     18.78564709      6.07083306    -12.78227759
  H     16.38879865      5.90977997    -14.32049187
  O     18.85799408      5.42338649    -17.08202052
  H     18.02144641      4.37895376    -11.62427658
  H     15.89580643      4.44353715    -14.47413038
  O     14.70232372      9.13555127     -8.92606191
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  H     15.91745871      6.27889498    -16.22514675
  O     19.74349168     10.18684654    -12.94711711
  H     16.80848692      3.12798896    -12.99487685
  H     17.15850748      6.44134531    -17.10382146
  O     15.65087715      5.36164896    -14.63590136
  H     16.35564787      1.92997097    -13.86732840
  H     12.70081632      6.20867675     -8.23840311
  O     16.31984710      6.86165108    -16.88454396
  H     19.47409234      6.98878322    -16.33762260
  H     12.77029706      6.91231121     -9.61615973
  O     13.30381925      6.60676882     -8.85995024
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  H     18.16131814      9.61575338    -12.23421606
  O     17.29066055      9.22158227    -12.09603536
  H     18.31364080      3.51578116    -14.52485378
  H     17.26019117      8.82549536    -11.21518350
          69
 Energy    -248.54866573828647     
  O     17.58735010     10.44686668    -18.10198487
  H     17.80809561      9.74080080    -18.71931541
  H     20.55151222      8.97984857    -16.19505797
  O     15.05805192      5.93403012    -13.35919264
  H     17.32246309      9.98933304    -17.28949226
  H     15.93596659      9.44637090    -15.54315331
  O     17.24094904     13.26827248    -12.15535374
  H     15.98698933      5.91456004    -13.06339179
  H     17.45287628      9.40447782    -15.16574298
  O     15.47398416      7.35701561    -18.52589277
  H     14.62447523      5.18185807    -12.96530118
  H     16.01193359     11.43721025    -18.13744758
  O     14.60058746     11.01849858    -11.18862182
  H     17.61448563     13.19087419    -13.04349867
  H     15.12471733     12.20510787    -17.12630244
  O     14.83780569      8.68931307    -12.76139193
  H     16.30173913     13.44639778    -12.28563272
  H     17.55828883      9.54588477    -11.26105354
  O     17.96992309     12.60589942    -14.77967766
  H     14.84446800      8.06503036    -18.34343132
  H     16.59979155      8.77588197    -12.19687628
  O     14.25139899      9.97052185    -15.13062679
  H     15.58289284      6.87842916    -17.69327662
  H     14.13648719     10.32415795    -17.98562804
  O     18.70103368      5.68852395    -15.41472200
  H     14.55065788     10.16907890    -11.64595772
  H     12.82055992      9.58145209    -18.31984841
  O     16.11489815      6.44510213    -15.94309505
  H     15.47558363     11.04646961    -10.78265733
  H     17.73239963     11.49720158     -9.58480094
  O     17.68628695      6.11231078    -12.71688941
  H     14.76128664      7.74021625    -12.91335172
  H     17.40924891     11.93888130    -11.03057146
  O     20.89024035      9.68394276    -15.61310414
  H     14.55785900      9.12687224    -13.57906158
  H     19.50862403      9.84671736    -14.39673882
  O     16.79517469      9.08688610    -15.79911168
  H     18.15799450     11.72989319    -14.40934818
  H     18.45463186      9.55401079    -13.23506442
  O     15.11225802     11.75770837    -17.98159196
  H     18.54388650     12.66223543    -15.55482915
  H     14.38620202     12.48283123    -12.13245285
  O     17.51081486      8.79475429    -11.86680511
  H     14.51563716     10.90295946    -15.15428635
  H     13.72613057     13.87303139    -12.28973197
  O     13.64545438      9.49281311    -17.84922876
  H     13.89488428      9.74552080    -15.99919933
  H     19.49764911      6.98547643    -16.54101790
  O     17.37047200     11.18801836    -10.41097111
  H     18.87567994      4.76838165    -15.60156895
  H     19.24897838      7.75164611    -17.86440116
  O     18.63881253     10.06071982    -14.03483246
  H     17.77729167      5.85419529    -15.66914186
  H     14.86077178     12.91546060    -14.41788193
  O     14.40380476     13.30751679    -12.65023313
  H     16.37646408      7.38070603    -15.89456859
  H     16.19558586     12.59817539    -15.13336822
  O     19.84204647      7.68737166    -17.10665689
  H     15.61074112      6.24696857    -15.14529246
  H     18.96112822     11.54569333    -17.44791096
  O     15.23275217     12.55063062    -15.23071877
  H     18.21065347      6.05952037    -13.52395617
  H     20.15796515     11.31761677    -16.51721550
  O     19.62097402     12.01173781    -16.91561181
  H     17.80344459      6.99967435    -12.35084072
  H     18.15339445      7.63953264    -20.22026673
  O     18.01748140      7.94344439    -19.32677022
  H     21.83632012      9.57476645    -15.57230187
  H     17.10159401      7.71332129    -19.08998270
          69
 Energy    -248.54864852116680     
  O     17.39751093      8.28435784    -13.06288455
  H     17.46054938      8.43899583    -14.01245804
  H     13.21251433      8.78097093    -12.99043161
  O     13.82861785     12.63443325    -10.54902208
  H     16.82014542      8.98104505    -12.70928503
  H     11.10630538     12.00343219    -12.00505563
  O     17.33657485      9.10505542    -15.73693765
  H     14.21246052     11.94940946     -9.98123595
  H     12.47215029     11.88708068    -11.28127838
  O     11.35472493      9.70972202     -9.40655804
  H     14.56645895     12.95742276    -11.08030195
  H     17.95266497      8.10134139     -6.17602038
  O     15.80564898      6.18916889    -12.16576830
  H     16.46281297      9.53507514    -15.69774546
  H     17.06332290      7.73893907     -7.39073513
  O     19.22407445      9.00879138    -11.13340162
  H     17.40511776      8.69624064    -16.59504604
  H     16.02774664     10.36214557     -9.15362750
  O     20.09668981     11.38499903    -12.36880164
  H     11.02894868     10.28125619     -8.71402155
  H     14.65487252      9.60066396     -9.29777270
  O     17.82342403     10.23517182     -9.02336990
  H     11.42484997     10.26577757    -10.19606776
  H     19.34793619      7.56851239     -9.95860981
  O     13.59800067      8.09401422     -9.46414861
  H     16.41775081      6.84589173    -12.52529247
  H     18.90780697      7.30043706     -8.50248830
  O     14.99756977     10.45554363    -15.48294362
  H     16.24752349      5.79206855    -11.40584695
  H     16.05296461     11.93576904    -12.16084346
  O     13.31252723      7.14530323    -12.13739612
  H     18.64271822      8.66019917    -11.82496388
  H     16.95646329     12.99514787    -11.50235465
  O     13.27426802      9.68061672    -13.34134452
  H     19.65585300      9.78264560    -11.51534351
  H     17.91515719      5.74541428     -9.72945459
  O     11.73935342     11.37368563    -11.67028130
  H     19.55576623     11.40802381    -13.17784475
  H     17.40020374      4.28823259     -9.72981772
  O     17.88560372      8.18894225     -7.12251743
  H     20.96628591     11.69048079    -12.61392051
  H     14.86049266     10.02829960    -12.55157348
  O     15.09366036     10.45646988     -9.38753038
  H     18.26481331      9.80050929     -9.76696708
  H     15.48807743     10.22123349    -11.14039912
  O     19.18944333      6.86383637     -9.31588121
  H     17.91148901      9.63868608     -8.26910476
  H     17.82289110     12.04122715    -14.71911013
  O     16.19655186     12.89262093    -12.09298856
  H     13.54650241      7.73743775    -10.35927549
  H     18.28215851     10.61469157    -15.04477689
  O     17.12996698      5.18989116     -9.88272772
  H     12.77437133      8.58436167     -9.32811260
  H     16.04184506     13.87169862    -15.15274671
  O     15.69372509     10.17188998    -12.08358342
  H     15.26776527     11.35702180    -15.26533201
  H     16.14189036     13.08810733    -13.82256743
  O     18.56568485     11.43420012    -14.62210460
  H     14.31254867     10.20296821    -14.85166833
  H     19.03577230     12.30361608    -11.06769636
  O     16.14768472     12.99555031    -14.79154018
  H     12.69955798      6.42974448    -12.28533960
  H     18.20529197     11.96498766     -9.81640509
  O     18.38333454     12.66672766    -10.45507089
  H     14.20896081      6.76451575    -12.19075934
  H     16.07965659      6.22686935     -8.67562176
  O     15.71267734      6.87038526     -8.05644885
  H     12.67318930     10.23396476    -12.82632852
  H     14.92162094      7.23310075     -8.47436854
          69
 Energy    -248.54860474665233     
  O     -2.75142786      1.30010252      2.85121346
  H     -3.20232573      0.67651203      3.41374056
  H      2.45367852      4.92903608      1.94885518
  O     -3.27753942      3.10497982     -1.81377685
  H     -1.84435205      1.38294278      3.19725284
  H     -1.53093274      5.92921783     -1.26231795
  O     -0.86174470      4.65043276     -5.21260063
  H     -3.79384706      3.78432565     -1.36372882
  H     -2.82072285      6.08960683     -0.42977970
  O     -4.38674740      5.04689088     -0.09416326
  H     -2.95583316      2.52027660     -1.10945938
  H     -0.97808971      4.77840690     -3.39904976
  O     -1.44949501     -0.65940590     -1.46897007
  H     -1.42547478      4.80902378     -5.96611081
  H     -1.78745443      4.07645724     -2.26982250
  O      1.09482693      2.76186058     -2.57098713
  H     -0.57050040      3.72870155     -5.28543471
  H      1.18634962      4.32393222      5.38833680
  O     -0.32691484      7.36109974      1.31833835
  H     -4.13814329      4.65145159      0.76092104
  H      1.61621891      4.19722767      3.90722291
  O     -0.19265041      1.54109510      3.70489155
  H     -5.25483746      5.42372003      0.02147529
  H     -0.60892725      3.92079813      1.47159390
  O     -2.20870187      1.13530509     -3.56268017
  H     -0.52314062     -0.36688497     -1.36939776
  H     -0.90017814      2.80053178      0.43430148
  O      1.49805336      1.33961369      1.47742490
  H     -1.44967765     -1.61015173     -1.41053841
  H     -3.42407083      3.08066807      2.50968616
  O      0.98511441      0.36007478     -1.10915529
  H      0.42939544      3.43406146     -2.36633818
  H     -2.78177995      4.47613617      2.55602855
  O      2.82648693      4.45714398      2.70587816
  H      0.88446484      2.45749057     -3.46109304
  H     -2.44615072      1.32459245      1.04098369
  O     -1.96323041      6.49305733     -0.60556313
  H     -0.94568763      7.11247270      0.60473137
  H     -1.96354469      0.68252640     -0.30745520
  O     -1.00725050      4.62161711     -2.44446950
  H     -0.34429554      8.31135203      1.38243683
  H     -0.45695321      4.84984230      3.49377635
  O      0.87003155      4.07887426      4.52315361
  H      0.14396028      2.35974994      4.08746258
  H     -0.81431801      5.94806914      2.43528644
  O     -0.22023864      3.40853024      0.74993623
  H      0.43544621      1.30334564      3.00878016
  H      0.95857746      4.74544122      0.36754724
  O     -3.57710051      4.00179638      2.27327493
  H     -2.70759474      1.81910819     -3.09757284
  H      1.06320745      6.26170876      0.63493581
  O     -2.19449435      1.51264327      0.12809572
  H     -2.01036346      0.45460434     -2.90748733
  H     -0.87196576      1.63315843     -4.54733389
  O     -1.10527022      5.11517426      2.82897129
  H      2.42249954      1.61585108      1.44553973
  H      0.16499681      1.25174559     -5.63362457
  O      1.58345261      5.48734739      0.39434692
  H      0.96737872      2.11476933      1.23426180
  H      4.95735088      2.06775040      1.05809127
  O     -0.09441300      1.95219688     -5.04175018
  H      1.21220755      0.56588985     -0.19345609
  H      3.84884566      2.86226830      0.32655003
  O      4.07720121      2.41685683      1.16356187
  H      1.06130632      1.18924724     -1.60049085
  H      2.80049076      4.51645112     -0.65134456
  O      3.24977174      3.75247538     -1.03836612
  H      3.37355876      3.75995234      2.32573329
  H      2.61896052      3.37359278     -1.66388277
          69
 Energy    -248.54844128183868     
  O     -7.57974724      2.36027839      6.76145163
  H     -8.35378306      2.92087929      6.91658847
  H    -11.60381153      0.09337300      4.63054366
  O     -4.95688914      3.84944689      4.16472387
  H     -7.45685797      2.36062880      5.79687221
  H     -5.39596380      1.71034112      1.48515490
  O     -5.28497852      0.61554449      6.22841122
  H     -5.79001452      3.35895795      4.09490501
  H     -4.43827856      1.16284998      2.58503711
  O     -8.26758888      5.90460076      5.53322567
  H     -4.27144957      3.17226989      4.20617576
  H     -8.37930427     -0.69315595      6.24728802
  O    -11.54796060      0.33525563      7.80761552
  H     -5.76925948     -0.19758069      6.03632654
  H     -8.55719237      0.76971995      6.71477964
  O     -7.29625298      2.32005826      4.05116714
  H     -5.92511239      1.21216381      6.63072143
  H    -12.55100196      3.04786746      4.98648208
  O     -5.94095415      4.82492535      6.61885241
  H     -8.91093620      5.36247288      6.00484507
  H    -12.97365980      2.96786279      6.46734052
  O     -9.88639551      3.88904506      6.67234351
  H     -7.41034945      5.68807145      5.92591172
  H    -13.36652492      1.00130941      5.49840011
  O    -12.07083161      2.97772955      8.16808283
  H    -10.66618485      0.10430912      7.48799579
  H    -14.08547415     -0.35814294      5.30874312
  O     -8.86691123      3.52120138      2.03721786
  H    -12.16288969      0.07200599      7.11160982
  H     -7.90398615     -0.13584238      2.50882476
  O     -6.45026324      3.13978869      0.64253880
  H     -7.90443293      2.74965666      3.43967325
  H     -6.33561624     -0.03285404      2.52353803
  O    -10.71690862      0.32093804      4.32427323
  H     -7.17820806      1.41277152      3.74266594
  H     -6.76114161     -2.48509398      5.33159950
  O     -5.00576698      0.90595644      1.84772287
  H     -5.44217411      4.59049604      5.82408300
  H     -7.01371527     -1.18726766      4.52273612
  O     -9.03883261     -0.04761857      6.53139235
  H     -6.35960395      4.00626523      6.90471030
  H    -10.30823803      3.33377063      3.36553259
  O    -13.26287235      2.75638990      5.57017366
  H    -10.60932200      3.68856524      7.27838817
  H    -10.75782364      2.12145154      4.21161828
  O    -13.23952995      0.03526707      5.50327209
  H    -10.18843114      3.63821781      5.78682694
  H     -4.12174394      1.13702379      4.99449263
  O     -7.10962707     -0.32707657      3.02753904
  H    -12.41903011      3.15433527      9.03767501
  H     -2.65424668      1.17718675      4.51015000
  O     -6.95344120     -1.55587641      5.42320359
  H    -11.86958487      2.02525161      8.13053571
  H     -6.59845409      5.78374897      2.30466265
  O    -10.79913160      3.08856468      4.15518038
  H     -8.11500843      3.32494134      1.45925454
  H     -5.35936362      4.98721896      2.77610872
  O     -3.53829302      1.45269803      4.28222716
  H     -8.78360164      4.45883054      2.26996348
  H     -9.97563585      0.39103793      2.64777264
  O     -5.77946832      5.37823521      1.99602763
  H     -6.27665430      3.19991795     -0.29381860
  H     -9.43945678      1.50530832      1.72881069
  O     -9.43593820      0.55327249      1.85909240
  H     -6.13291742      3.96870832      1.04481562
  H     -8.36209391      6.07979165      3.84356202
  O     -8.41572539      6.12744661      2.87103503
  H    -10.11056826      0.15983925      5.06021022
  H     -8.82315216      6.96301628      2.65964224
          69
 Energy    -248.54843908956781     
  O     16.31055869     13.20297830    -16.13565999
  H     16.19359013     13.98514050    -16.66770690
  H     15.67357832      5.65710530    -17.39626516
  O     16.04074361      7.00110132    -13.44712632
  H     15.43781892     12.98993943    -15.75799149
  H     15.55249058      9.60374784    -17.66317704
  O     18.17413644     12.56766310    -14.06541054
  H     15.32751402      6.45251434    -13.78708395
  H     15.14274651      8.25632189    -18.28178003
  O     18.63398818      6.86773395    -18.01067325
  H     15.84345535      7.21366019    -12.52011308
  H     14.90137635      9.70209849    -14.76297416
  O     17.62909324      9.65443611    -10.49172939
  H     17.60577667     12.87563734    -14.78116787
  H     15.86497050      8.68747473    -14.07240804
  O     12.23647179      7.75035103    -14.23211728
  H     17.57644301     12.25219803    -13.37431269
  H     13.25683974     10.17667692    -12.08424190
  O     13.72568523     12.06401396    -12.27291235
  H     18.92118676      7.62683815    -17.48647751
  H     12.83740026      8.80529504    -12.66849074
  O     18.43674564      4.81801642    -16.00923264
  H     18.68924159      6.10298348    -17.42442051
  H     19.22889797      8.11083679    -12.93238561
  O     15.43625426      7.85659405    -10.97063181
  H     18.29228349      9.34445250    -11.13514201
  H     19.73799040      9.56218060    -12.97830212
  O     16.06509521      6.72570265    -18.88833012
  H     18.08083982      9.75037927     -9.65782547
  H     13.73643664      9.51439250    -16.56791272
  O     13.89258180      5.53095712    -14.59179442
  H     12.79407315      6.97037720    -14.37793225
  H     12.85906497      9.12563407    -15.32556483
  O     15.64521462      5.13907429    -16.58225810
  H     11.33309509      7.44129150    -14.21902450
  H     19.62916466      9.58141527    -15.64041412
  O     14.78461323      9.07375146    -17.91871507
  H     13.50732959     12.66844429    -11.56776181
  H     18.35864251      9.53357950    -16.50729028
  O     15.78130091      9.60062684    -14.37434724
  H     14.67974813     11.88525275    -12.20337042
  H     18.72047812      7.67459779    -14.98432696
  O     13.20062023      9.23479096    -11.88657437
  H     19.01614383      4.09706409    -15.77763124
  H     17.70407452      6.96524868    -14.01784130
  O     19.40510075      8.88187073    -12.37995561
  H     18.57245548      5.51257544    -15.34151687
  H     19.49756523     11.45956627    -14.26121486
  O     13.35324288      9.84242822    -15.73808613
  H     16.12203195      8.47469190    -10.69372927
  H     21.03281923     11.28664846    -14.32364666
  O     19.11064752      8.99983331    -16.20957738
  H     14.64499419      8.37626432    -11.18086730
  H     16.76696361     11.46770287    -16.68446356
  O     18.62128742      6.96277155    -14.33526751
  H     16.05185553      6.47305747    -19.80787331
  H     16.56982783     10.17516486    -15.86536055
  O     20.21220213     10.80114651    -14.33088915
  H     17.00108255      6.83492409    -18.64281176
  H     16.17565344     10.70915209    -13.04476165
  O     16.88538822     10.51152590    -16.72021382
  H     13.71170533      4.66860264    -14.22535778
  H     16.78108036     10.83053307    -11.61485712
  O     16.35436078     11.33172119    -12.32065613
  H     14.46969483      5.38941458    -15.36474523
  H     13.77136165     12.45920058    -14.13261833
  O     13.91459574     12.48778249    -15.08589892
  H     16.56357571      4.93690931    -16.36623188
  H     13.60151634     11.63431549    -15.41739776
          69
 Energy    -248.54829474338067     
  O     10.06199888     11.14778165     -9.56301488
  H      9.25178473     11.27058303     -9.07591229
  H     10.74800974     11.85102171    -11.16122209
  O     14.06057324      9.21741247    -16.47661642
  H     10.79195439     11.25855479     -8.92737809
  H     13.96836598     13.40905252    -14.22747946
  O     11.30306236      8.67251341    -10.42257836
  H     14.15175593     10.17736616    -16.61795016
  H     15.35947260     14.09487228    -14.20985234
  O     14.27123395      8.98244455    -13.70000456
  H     14.40333110      8.79039275    -17.25682049
  H     14.79658818      8.11078538    -12.17379005
  O     14.23372875     13.26855675     -7.50109083
  H     12.17517177      8.83425523    -10.04510489
  H     14.95200923      6.82780692    -11.34399292
  O     14.11134204     11.91122264    -16.76519370
  H     10.75158967      9.40094757    -10.10991335
  H     14.24410551     15.78761685    -12.62181252
  O     11.63407604      9.51652362    -13.02407053
  H     13.35698624      9.17680148    -13.44395522
  H     12.86833362     15.12012133    -12.77921951
  O     13.93959164      9.59810435     -9.50575259
  H     14.28479903      8.94889697    -14.66475789
  H     17.01880486     11.35525436    -11.66420961
  O     13.90384712     11.80670360    -11.14924620
  H     14.91820792     12.64567790     -7.80763934
  H     18.35883132     11.03140520    -10.97063597
  O     12.23899797     11.27785123     -7.95391262
  H     14.51693455     13.58681680     -6.64783975
  H     11.77370268     13.18604218    -13.23409157
  O     17.08229017     14.36065532    -11.24251668
  H     13.19001360     12.19919890    -16.77026049
  H     11.82748899     13.41540997    -14.76587601
  O     11.30529941     12.05821803    -11.92063334
  H     14.53354833     12.41668948    -16.05779329
  H     14.25910230     14.21033180     -9.20407941
  O     14.90118430     13.28139408    -14.45482141
  H     11.46948667      9.01987997    -12.21072556
  H     14.00054677     14.83396990    -10.65393355
  O     14.99730420      7.77963805    -11.28498143
  H     11.47567178     10.43948675    -12.78422832
  H     15.38921539     10.36359910    -13.30997785
  O     13.40134139     15.64830362    -12.17174002
  H     13.88425070     10.38304186    -10.07591861
  H     15.60939210     11.88994412    -13.58194868
  O     17.56829346     11.55980066    -10.88902984
  H     14.36997225      8.90584298    -10.02799191
  H     11.24689457     11.56324528    -16.13561446
  O     12.19148814     13.72023550    -13.92552892
  H     14.56010748     11.58873386    -11.82166915
  H     10.64133139     12.73122371    -16.94899139
  O     14.56768558     14.26331219    -10.11398450
  H     14.16761904     12.64925829    -10.75386259
  H     16.54902061     11.49936423     -9.24964217
  O     15.86283697     11.15070084    -13.00938093
  H     12.81703294     10.58355881     -8.29503519
  H     15.40359253     10.63260997     -8.70626567
  O     11.33816028     12.51207570    -16.33614567
  H     12.81697931     12.01909210     -7.73724512
  H     16.58544747     16.33014300    -13.69668185
  O     15.96446584     11.38721961     -8.49018670
  H     16.25257088     14.38157088    -10.74127621
  H     16.50218759     15.18758782    -12.65567358
  O     16.04257351     15.60167772    -13.40863214
  H     17.42198468     13.46651479    -11.13153041
  H     12.16594396      9.50017164    -16.10318527
  O     11.32425080      9.84880807    -15.78661264
  H     12.22404069     11.98536327    -11.61319290
  H     11.29079587      9.63610674    -14.84380398
          69
 Energy    -248.54803027347697     
  O     18.81541593     10.05699624     -9.37686919
  H     18.26602087     10.61530503     -9.93847209
  H     20.59048130     10.72786308     -9.44826326
  O     17.87593516      5.51912778     -9.87003397
  H     18.99028780      9.25543236     -9.89719859
  H     17.52795656      7.52533597    -13.60890511
  O     19.09901104      4.79347285    -13.53113828
  H     17.48892138      5.11918457    -10.65916840
  H     18.83690430      6.70132271    -13.72709743
  O     22.35732630      8.34092445     -8.74873241
  H     18.64304897      5.00102542     -9.59389209
  H     21.03202194      4.64579305    -10.83304893
  O     16.66887786      4.72247946    -12.22932469
  H     19.15593461      4.18246773    -14.26285606
  H     20.60919285      4.77883573    -12.31372526
  O     21.84687567      7.53773334    -11.42753146
  H     18.24866186      4.62288460    -13.09410173
  H     12.96535550      6.98934309    -12.28441580
  O     20.40073075      6.74037038     -7.68999898
  H     22.17769260      9.28167206     -8.88042069
  H     12.33414223      6.43897716    -13.58712084
  O     13.86701494      6.06689352     -8.85852219
  H     22.40161180      7.97242163     -9.63978603
  H     16.16328784      9.72148942    -11.03438038
  O     19.13472621      7.79920827    -10.88866725
  H     16.44010262      5.60588952    -12.55402474
  H     15.96280029      8.48322304    -10.09490710
  O     18.25926386      8.66378031     -7.10544723
  H     15.84131091      4.37445632    -11.86729397
  H     15.76942424      7.83760540    -12.33343280
  O     17.25988337     11.17840526    -11.41784940
  H     21.90110093      6.59263515    -11.62013757
  H     14.90008253      6.95846791    -13.26695079
  O     21.53169010     10.89838753     -9.58202902
  H     20.93174163      7.67320971    -11.13832280
  H     21.96514529      9.17744535    -12.10465767
  O     18.49384821      7.59696300    -13.62504930
  H     21.12648483      7.31680192     -7.97806499
  H     22.66162224     10.33730106    -12.84970825
  O     21.36435541      4.84480600    -11.71752593
  H     19.68207606      7.31782280     -7.41930354
  H     16.86394911      7.80134531     -7.98160014
  O     13.11656598      6.39808665    -13.04430484
  H     14.70694244      6.52469741     -8.68925504
  H     16.84252673      6.64479081     -9.01371357
  O     15.64751390      8.91771453    -10.89825330
  H     13.53186985      5.78914484     -8.00937512
  H     13.81674100      8.46550712    -10.85132711
  O     15.80774184      7.23540390    -13.09184570
  H     18.75565404      7.00097530    -10.50093303
  H     13.12373901      7.32950905    -10.08721453
  O     21.87050317     10.10911130    -12.36749633
  H     18.89414112      7.80746403    -11.82406139
  H     20.08019822     10.31282809    -12.92036632
  O     16.30039375      7.34617313     -8.61848379
  H     18.48310602      9.25380165     -7.84647361
  H     18.96476730      9.42150390    -13.50881189
  O     13.00125738      7.94665537    -10.82003513
  H     18.37944428      9.16987054     -6.30578197
  H     20.59350035      3.72260426     -8.52319079
  O     19.14307714     10.30168946    -13.15331659
  H     16.98669001     12.05932667    -11.65867858
  H     20.37927827      5.25578340     -8.53863190
  O     20.28640968      4.44128561     -9.06892706
  H     17.92832331     10.90190645    -12.07143071
  H     14.04773645      4.86595738    -10.38228918
  O     14.14991531      4.39859665    -11.22023873
  H     21.68093538     10.77885663    -10.52743144
  H     13.70426856      4.94698117    -11.87843067
          69
 Energy    -248.54780070561438     
  O     -2.59390867     -0.74185105      6.69724259
  H     -3.33829012     -1.25757886      6.36529293
  H      2.41043978     -3.58118459      2.25836012
  O      0.25679122     -0.77465141      3.77821455
  H     -1.81468298     -1.29912280      6.57785123
  H     -1.46024477     -2.81792135      1.87287997
  O     -2.03602395      0.67835119      3.14074502
  H      1.15363194     -0.51835307      3.53520021
  H     -0.77930112     -1.58839020      1.19772865
  O      1.45370580     -4.42522865      5.18196341
  H     -0.01549178     -1.43337830      3.11857401
  H     -3.55353135     -2.64275822      2.34446520
  O     -4.57050365     -2.39119549      5.40615515
  H     -2.31973484      1.20738063      3.90054388
  H     -2.91103430     -3.81767989      3.10948731
  O     -0.46901622     -2.44242300      5.83320283
  H     -1.22321186      0.23272424      3.41998204
  H      1.55518912     -3.57778532     -0.10561822
  O     -0.69112435     -5.91306653      3.97352824
  H      1.94114489     -3.99654209      4.45622199
  H      0.66730637     -3.40878193      1.14005306
  O     -1.11594189      0.12811059      0.55353165
  H      2.10587742     -4.84842802      5.73466402
  H     -4.45056189     -1.36999832      3.80774859
  O     -0.07432059     -6.24800021      1.18927726
  H     -3.92102646     -3.10003324      5.25772390
  H     -3.49356809     -0.41670443      3.02656163
  O     -1.27423092     -2.74518915     -1.66464224
  H     -5.31967296     -2.79235225      5.83975931
  H      1.73989401     -2.55919865     -2.50440827
  O     -2.24974331     -4.82188883     -0.09101938
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  H      0.43374722     -2.56599811     -1.67411035
  O      2.75053155     -3.25975997      3.10394114
  H     -0.20188939     -1.77292997      5.18529485
  H      2.42516482     -0.36174240      1.72665246
  O     -0.61590231     -2.36889292      1.74477450
  H     -0.50574252     -6.07713320      3.04154810
  H      3.50376692      0.19738439      2.68368302
  O     -3.11107148     -3.49219716      2.22146207
  H      0.09471662     -5.48913231      4.34194848
  H      0.71363890      0.02404032      0.25373483
  O      1.37262052     -3.95987362      0.76057662
  H     -1.81637176      0.00397807     -0.09867533
  H      1.64173072     -0.97371200     -0.46788018
  O     -4.23877680     -1.02681089      2.93132942
  H     -1.51133287      0.48306635      1.36154047
  H     -3.87232605     -0.78372493     -0.74540481
  O      1.40410400     -2.47996863     -1.61616965
  H      0.34487685     -7.02689098      0.83107934
  H     -3.45481200     -0.01886553     -2.02039914
  O      2.79259560     -0.43457896      2.62642472
  H      0.51788749     -5.50038541      1.00135888
  H     -2.67721846      0.90958033      6.02722249
  O      1.63496470     -0.26119121      0.18218512
  H     -1.93028352     -2.04288630     -1.61668610
  H     -2.78141730      2.43421847      6.20928682
  O     -3.11156697     -0.54190243     -1.30005662
  H     -1.63135266     -3.49606287     -1.16722102
  H     -1.84563130     -3.47938369      5.22206143
  O     -2.74687514      1.75150124      5.54541623
  H     -1.58538543     -5.41182596      0.28303590
  H     -1.99047620     -4.88329680      4.60373234
  O     -2.49888435     -4.10372069      4.87438104
  H     -2.70263304     -4.43395512      0.66992306
  H     -5.72503648     -1.98638663      0.33497569
  O     -5.18321304     -1.20007464      0.34903551
  H      2.86348323     -2.30821974      2.99484161
  H     -4.95781472     -1.04734305      1.28034200
          69
 Energy    -248.54764652869733     
  O     12.28910746     11.08067210    -13.69061765
  H     12.87331472     11.79253925    -13.97352517
  H     15.96191274     11.21868503    -16.65733766
  O     16.05110587      6.59852705    -13.44723195
  H     12.35715255     10.39861554    -14.37415069
  H     14.48248419      9.08461524    -14.80010767
  O     18.12570349     10.33926281    -12.00971860
  H     15.74176648      7.47673852    -13.72128143
  H     16.00079460      9.38056112    -15.04010735
  O     17.35433579     10.16873326    -16.07230798
  H     15.59082768      6.36664135    -12.63174055
  H     11.36823961     10.11321592    -10.85248079
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  H     17.98660847     10.23152321    -11.06136280
  H     12.21332916     10.34132974    -12.12590868
  O     15.73427061     11.35143946    -12.89489747
  H     17.32125590     10.76335157    -12.34711208
  H     17.78566696      7.14471484    -10.75887708
  O     15.62314406      7.43244602    -17.64798068
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  H     17.18497937      8.06175453     -9.67741660
  O     14.89144101      6.03885996    -10.91306482
  H     18.07366688     10.46983409    -15.50430217
  H     12.49487597      8.10823426    -11.82236720
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  H     13.37860859      6.84866512    -11.64602050
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  H     12.29656389      6.72760211    -13.76950592
  H     20.11910238     11.52276323    -14.26392060
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  H     18.32063694      8.46592454    -12.38694048
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  O     12.18867942      9.86959217    -11.27351119
  H     15.29055914      6.76741845    -17.02608112
  H     16.27007827     10.15198157     -9.65584616
  O     17.18929515      7.15183730     -9.99923427
  H     14.84418521      5.15518801    -10.55603566
  H     17.32245178     10.34537616     -8.53660179
  O     12.64814821      7.21669064    -12.15776641
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  H     14.51082341      8.67603837    -17.98988877
  O     19.52321403     10.78060080    -14.32654871
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  H     13.50129115      9.28365763    -18.99436376
  O     18.48509824      7.52251534    -12.51592648
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  H     15.06421208     10.99061375    -11.22509147
  O     17.17446057      9.91780470     -9.37551884
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  H     13.87981749     10.30800554    -10.53390960
  O     13.84342835      9.37802780    -18.11008998
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  H     14.12884990     13.86873636    -14.87394010
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  H     14.62034550     10.95511066    -17.35923402
  H     13.02835070      9.14647136    -16.47671329
          69
 Energy    -248.54763664278113     
  O     -4.15204598     -1.20309981     -1.59547140
  H     -4.74536285     -1.32484389     -2.33264760
  H     -1.37315200     -3.99366442      1.81420018
  O     -2.12989205     -1.07530962      1.67658433
  H     -4.24927886     -1.99030152     -1.02970476
  H      0.70961312     -0.50182606      3.23164373
  O     -5.62782102     -3.41148298      2.52416862
  H     -1.97818361     -1.98985032      1.40788488
  H      1.72176612      0.16780668      2.31462258
  O      2.06160331     -2.53312298      4.92305915
  H     -3.07620962     -0.97401755      1.84447301
  H     -3.58037769     -3.72808634      5.03213294
  O     -4.31442913     -3.37549017      0.00756144
  H     -6.43683291     -3.84903278      2.77466667
  H     -2.77119151     -4.43696091      3.93291515
  O      1.87064973     -2.99737748      1.29343974
  H     -4.93278702     -3.74389674      3.12040418
  H     -3.64314211     -1.01272819      5.55236500
  O     -3.08146762     -2.60223730      6.47801423
  H      2.11958910     -3.37547230      4.45553447
  H     -2.83693649      0.00324857      4.72889534
  O     -4.80208132     -0.72186753      2.47769193
  H      2.13064450     -1.85077418      4.24202652
  H     -2.27465982     -1.26649760     -1.89537284
  O     -0.89943285      0.75101376     -0.04447329
  H     -4.86128811     -3.45005049      0.79801512
  H     -1.05802573     -0.45695034     -1.42449532
  O      0.22286751     -3.27351787     -1.00861521
  H     -3.42197803     -3.62710338      0.28424992
  H      0.71861756      2.24007847      2.02805206
  O     -1.05343615      0.06038670      3.87791199
  H      1.37425162     -2.98465995      0.46781449
  H      0.67431686      1.35481759      0.78991182
  O     -1.72591467     -3.72428361      0.95566903
  H      1.76153790     -2.13358307      1.71337295
  H      1.89424013     -4.23551204      2.47921058
  O      1.56821540     -0.64365109      2.81864611
  H     -2.14590046     -2.50071796      6.22975071
  H      2.45601823     -5.55598167      3.06620987
  O     -3.67060475     -4.22330287      4.20862551
  H     -3.09922301     -2.78159649      7.41460002
  H     -4.37779832      0.27378069     -0.41333908
  O     -3.73528390     -0.24547838      4.97394795
  H     -5.18727616     -1.60644408      2.48524635
  H     -4.76971303      0.43887792      1.06859087
  O     -1.31057831     -1.24584701     -1.92382116
  H     -4.54832246     -0.51082983      3.38824805
  H     -1.63228350      2.78562994      2.24927116
  O      1.28503836      1.72694482      1.44257494
  H     -1.45274800      1.53618720      0.03498284
  H     -1.15547406      3.52061590      3.51978157
  O      1.83052399     -4.85621162      3.22984053
  H     -1.31197284      0.08418481      0.52622314
  H      0.00035694     -4.65106568      3.47345334
  O     -4.50441275      0.93302507      0.27997926
  H     -0.30294037     -2.54586986     -1.38595461
  H     -0.82543194     -3.54837942      4.16137889
  O     -1.02857491      2.72564743      3.00671383
  H      0.52830620     -3.79801843     -1.74407906
  H     -0.75129689     -1.34416553      4.99128197
  O     -0.89384823     -4.29372934      3.55030468
  H     -1.43113137     -0.38330370      3.09945833
  H      0.36397560     -2.32740429      5.44110770
  O     -0.59389626     -2.18284669      5.44600194
  H     -0.99283129      1.00086859      3.66853163
  H     -2.91058115      3.60794878      0.22397314
  O     -2.66996201      2.84024266      0.73600320
  H     -1.00428239     -3.70151676      0.31474698
  H     -3.37540823      2.18127486      0.59707923
          69
 Energy    -248.54762466785206     
  O     11.96850844      5.58970156    -14.73284578
  H     12.25990569      6.50751896    -14.80795485
  H     18.28421440     10.84558861    -12.17298909
  O     17.24297970      6.58795651    -13.70942981
  H     12.60817016      5.06394656    -15.22915137
  H     14.19722634     11.75253862    -12.86659214
  O     16.03267783      9.07578038     -9.31058368
  H     16.59994393      6.52731201    -14.43227131
  H     15.68546421     12.05238021    -13.14529840
  O     18.86102676      8.75082713    -14.69364489
  H     17.93404229      7.19415015    -13.99848959
  H     16.45107563      7.85117903    -12.60006790
  O     14.15279678      4.04335656    -15.79503980
  H     16.03818205      8.84580266    -10.25072613
  H     16.97451669      9.20145999    -12.09870536
  O     15.11021054      6.61706195     -8.48185429
  H     15.63150657      8.32046533     -8.85920509
  H     11.09116272      3.98152235    -12.12638644
  O     16.16729507      5.00843599    -11.73175915
  H     19.63187843      8.67756536    -15.25065261
  H     11.86497764      4.84760105    -13.15023008
  O     13.49969626      8.58977161    -12.02793417
  H     18.10380659      8.91187311    -15.28512210
  H     18.85779067      8.76923801    -10.59394899
  O     17.69036577      5.68426171     -9.48528415
  H     14.31556592      3.72698853    -14.88770964
  H     17.86519318      8.62680333     -9.43542089
  O     14.32955661     10.50125204    -15.82958314
  H     14.17346033      3.27819379    -16.36280724
  H     15.11009590      3.77658525    -12.66098661
  O     15.33757212      6.56542717    -15.69494729
  H     14.49516283      6.38731104     -9.19097127
  H     13.59149762      3.53835396    -12.80290210
  O     18.63837011      9.94634810    -12.14662657
  H     15.94889005      6.19818988     -8.71152919
  H     16.65309721     12.16304912    -11.24187232
  O     14.84083801     11.87741198    -13.57514599
  H     16.62095281      5.47388466    -12.44880720
  H     17.53267425     13.25400260    -11.89694841
  O     16.18899666      8.64058013    -12.11145475
  H     16.71362440      5.12939476    -10.94461951
  H     14.62840887     11.62051651    -10.37680370
  O     11.93555684      4.39130874    -12.29255586
  H     13.41275812      7.74675050    -11.56373119
  H     15.71338160     10.84574246     -9.60595954
  O     18.65811559      8.22799742     -9.82134431
  H     14.45635721      8.72918147    -12.12602376
  H     13.24371554      8.29442136    -13.80540467
  O     14.44557577      3.32689446    -13.19969088
  H     18.09598676      6.55386235     -9.64610797
  H     13.49382711      8.95474166    -15.18543855
  O     17.21380988     12.36282902    -12.01471619
  H     18.30800135      5.19347521     -8.94898419
  H     13.01548613      5.48238471    -11.25889850
  O     15.52086962     11.69957567    -10.01982263
  H     13.96561587     11.11138935    -16.46578401
  H     14.54428752      5.73252642    -11.21789810
  O     13.22568169      8.13114613    -14.75891811
  H     14.53145393     11.01818563    -15.02883930
  H     12.16733549     11.42883963    -11.21123105
  O     13.69368902      6.06570028    -10.89647695
  H     14.59720082      7.08560937    -15.34962305
  H     13.11789366     10.26954749    -11.58923041
  O     13.07242015     11.22844449    -11.43490086
  H     15.00304046      5.67404012    -15.85122493
  H     16.28157176      8.08547222    -16.28198380
  O     16.68496049      8.96392477    -16.29168288
  H     18.80146296      9.65522900    -13.05391830
  H     15.95192177      9.58011570    -16.17533029
          69
 Energy    -248.54746661647499     
  O     18.82372129      9.79912540    -14.71067710
  H     18.78822499      9.06907563    -15.34249615
  H     17.56310701      4.65187385    -16.00049040
  O     20.20289493      6.70991157    -12.92007014
  H     17.94237105     10.18820605    -14.69482921
  H     15.53904413     10.24833467    -13.08437258
  O     17.33837217      6.78614974     -9.51028135
  H     19.29374769      6.70716373    -13.25585400
  H     16.22227908      9.52264738    -11.89332605
  O     14.10824988     10.11605944     -9.77495743
  H     20.42097364      7.63525103    -12.76291447
  H     17.24953099      5.86867923    -13.04818333
  O     16.09047960     10.76650989    -14.77066371
  H     16.82377044      7.29364722     -8.86564894
  H     17.42841505      7.39214767    -12.68384554
  O     12.39743154      7.89516866    -10.33201812
  H     16.68104594      6.26794234     -9.99525077
  H     14.48082972      8.26494306    -12.47343671
  O     19.00120287      3.01739056    -11.70925711
  H     13.94923728     11.02687969     -9.53915087
  H     14.26018213      7.07422985    -13.43984193
  O     15.17974929      5.51912423    -10.80818173
  H     14.54044424     10.12589300    -10.64483186
  H     19.86784506      5.89250715    -11.25085962
  O     20.10324540      4.18182760    -14.15304837
  H     15.89093729     11.58827070    -15.21184794
  H     18.88957413      5.85710869    -10.04232071
  O     16.64255467      4.11688085    -12.66634404
  H     15.95755727     10.05920082    -15.42799096
  H     19.15685239      7.80062001    -17.45452911
  O     15.90363161      3.87250103    -15.29976439
  H     12.76809157      7.67064103    -11.19662838
  H     18.51226166      6.81101583    -16.46692744
  O     18.40252282      5.09145617    -16.16856873
  H     12.82553401      8.72397440    -10.08161985
  H     14.73446701      7.41194414     -8.11925552
  O     15.37257927      9.86571274    -12.21439311
  H     19.34580460      2.26375883    -11.23892745
  H     15.01193461      8.84678027     -8.59398031
  O     17.43963631      6.74789678    -13.40370540
  H     19.24965485      3.80880253    -11.19623506
  H     19.75290712      9.65713326    -13.27967344
  O     14.05842900      7.39870664    -12.55265435
  H     14.60534331      5.52058949    -10.03258963
  H     20.84700051     10.17348651    -12.30756947
  O     19.56951728      5.35309952    -10.50635267
  H     14.80689253      6.16627503    -11.42526098
  H     15.21398990      5.63413063    -15.22981881
  O     18.58904381      7.75541851    -16.68901756
  H     20.37694785      5.02506804    -13.76711220
  H     16.00410041      6.73673744    -14.50337318
  O     15.39409369      8.11658058     -8.09276395
  H     19.78972301      3.65422944    -13.41073758
  H     15.48121016      7.97247385    -16.10011614
  O     20.20001004      9.48497262    -12.42898774
  H     16.08988010      4.44034246    -11.94124654
  H     16.81662786      8.41342460    -16.71539200
  O     15.16388600      6.55770983    -14.95768231
  H     17.40793666      3.65773959    -12.29586030
  H     12.96219482      6.67508166     -9.21179688
  O     15.92272885      8.72338149    -16.51985362
  H     15.58652274      2.99726137    -15.50577564
  H     12.80417394      5.60341983     -8.10491127
  O     13.44928251      6.04479668     -8.65024925
  H     16.14793800      3.86891593    -14.35790033
  H     18.59470603      9.00374689    -11.59948229
  O     17.69018983      8.72423365    -11.41424313
  H     19.03063548      4.71762722    -15.53318549
  H     17.68645302      8.11649106    -10.66180729
          69
 Energy    -248.54735778021660     
  O     -1.38030021     -0.39554155     -2.31786579
  H     -0.90702985     -0.04008146     -3.06563204
  H     -1.12874316     -4.38784752      0.14905336
  O      0.26047263      1.94378692      3.60889823
  H     -1.33262510      0.26854194     -1.60873414
  H     -2.80033994     -0.53451816      6.03559654
  O     -3.50501365     -3.36977511      3.32261697
  H      0.65585991      1.68043169      2.77267477
  H     -2.93757374      0.61717786      7.05466492
  O     -0.70179226     -3.59576665      3.13696994
  H      0.37332376      1.20032247      4.22226826
  H     -1.46709142      2.17249169      3.82504419
  O     -3.97037035     -2.87271044     -0.29043440
  H     -3.96074612     -2.60210407      2.94602095
  H     -2.58643504      1.55565008      4.72763398
  O     -5.46408019      1.58452078     -1.42919096
  H     -3.74185165     -4.11594836      2.75946317
  H     -1.94285663      2.09384984     -0.35160572
  O      0.12131292     -0.11823491      5.45448179
  H     -0.34105989     -2.83891827      2.65113723
  H     -1.70057718      0.85195301      0.53465160
  O     -3.91948246     -5.27781523      1.23549570
  H     -1.66088927     -3.47088430      3.19618149
  H     -5.79481628      1.25938637      0.40025397
  O     -3.33960854      3.17503679     -0.38267992
  H     -3.00891115     -2.78157716     -0.36654707
  H     -5.36202803      1.84757085      1.75331941
  O      0.00837879     -1.39593185      1.64385786
  H     -4.12424066     -3.73150133      0.12048926
  H     -2.31084618      0.69301633      2.71981395
  O     -1.18793457     -2.60749236     -0.58035479
  H     -5.04423234      0.74780583     -1.69618640
  H     -3.11831070     -0.42509493      1.98876017
  O     -1.24477662     -5.10718933      0.78356128
  H     -6.13767131      1.77111341     -2.07774951
  H     -4.54638341     -1.77937594      1.07391017
  O     -2.64543067      0.41728687      6.16893260
  H     -0.75446450      0.10337327      5.79357748
  H     -5.18264196     -0.50675342      1.74372429
  O     -2.42759784      2.06364638      3.92150104
  H      0.19352118     -1.07476636      5.54250840
  H     -3.27957224     -0.62122097     -2.29559195
  O     -1.33332926      1.35514150     -0.20735121
  H     -2.96528003     -5.33608882      1.04709735
  H     -4.28975942     -1.52322787     -1.56257512
  O     -5.81434913      1.09596565      1.35176981
  H     -4.27315175     -6.15895976      1.15148781
  H     -4.59519673      4.08797064      2.76944887
  O     -2.26354024      0.02170864      2.02833505
  H     -3.62422454      3.32210210      0.52847283
  H     -3.60645519      2.91313780      2.92503196
  O     -4.66089692     -1.30612208      1.90972561
  H     -4.07061991      2.71245225     -0.81296509
  H     -1.90706791     -2.57714318      5.93571994
  O     -4.21881881     -0.72597519     -2.10278962
  H     -0.80896353     -0.93586860      1.89983947
  H     -3.16764092     -2.70489206      5.05532763
  O     -4.26283086      3.31014670      2.32806998
  H      0.64387331     -0.69913685      1.45049404
  H      0.51185624     -3.63543336      6.14735690
  O     -2.81640667     -2.26671516      5.84061406
  H     -0.71926794     -2.20232472      0.16292821
  H     -0.18483841     -3.29310331      4.81075117
  O     -0.04831505     -2.99008669      5.72422653
  H     -1.16835088     -1.96056197     -1.29578279
  H      0.34960893      1.30647473      0.48879508
  O      1.16891900      1.10268920      0.96981110
  H     -0.90355386     -4.76604106      1.62081102
  H      1.87070700      1.57903745      0.53331949
          69
 Energy    -248.54709252124422     
  O     -7.92637141     -2.13325549      6.34126934
  H     -8.74060872     -1.67752961      6.59025266
  H     -4.11257174      0.51202562      1.94764727
  O     -9.65394829     -2.79017353      2.35520922
  H     -7.24418068     -1.45471950      6.33645693
  H     -7.10779647     -1.10728887      3.32451267
  O     -7.94402828     -4.01485788      4.34583891
  H    -10.09446558     -2.13183586      2.91198833
  H     -8.52726390     -0.58441626      3.75850728
  O     -5.29979625      0.39289285      0.55109083
  H     -9.13794097     -3.32878291      2.96489955
  H     -2.23766387      3.34476993      2.24962427
  O     -6.20704295      0.27789964      5.80951884
  H     -7.95832977     -3.38166664      5.08525263
  H     -0.86177639      2.87451782      1.71561081
  O     -5.19285941      4.98164672      1.01343603
  H     -7.99870287     -4.88531325      4.73138010
  H     -9.23597293      4.47864783      4.75422932
  O    -10.18282152     -0.46190991      6.83296317
  H     -5.39336482     -0.54399816      0.33930612
  H     -8.25014778      3.67827467      3.87543030
  O     -4.16877487     -1.17629715      4.72197555
  H     -6.18643466      0.71624066      0.75683193
  H    -10.02822091      2.41840578      3.46153622
  O     -4.00125792      2.82776442     -0.12193267
  H     -5.39676512     -0.22295736      5.62656868
  H     -9.72479949      1.66729220      2.15983310
  O    -10.36999396     -0.71742150      4.03573157
  H     -6.76215593      0.16029911      5.01972432
  H     -5.93103797     -2.61181056      2.07382915
  O     -5.93722784     -2.34253975      0.21127239
  H     -5.23021694      5.71213896      0.40226936
  H     -6.58977679     -3.20069358      3.37476514
  O     -3.50949290      0.67592586      2.68623418
  H     -4.79935578      4.23072966      0.53258185
  H     -8.93493881     -1.90303147      0.96756033
  O     -7.62082186     -0.31975946      3.55196834
  H    -10.77611944     -0.38382045      7.57469481
  H     -8.50246658     -0.48397449      0.49532731
  O     -1.79397729      2.67704190      1.69642256
  H     -9.64200961      0.34863072      6.81462864
  H     -7.64396595      1.28910436      6.49376118
  O     -8.96085214      3.59186905      4.53173752
  H     -3.75230915     -0.58899407      4.07770040
  H     -8.64628264      2.33134430      5.93079687
  O    -10.39127484      1.76699345      2.84817946
  H     -4.71139392     -1.77477668      4.19000336
  H     -3.87586616      3.83973604      3.72586383
  O     -5.98490161     -2.52850441      3.03359332
  H     -3.15823991      2.74367412      0.34137474
  H     -3.94862356      4.76242585      2.49376459
  O     -8.44809214     -1.41903511      0.28113977
  H     -4.43477502      1.96807723     -0.04667412
  H     -4.49417314      1.78431036      3.71166961
  O     -8.52608523      1.66385425      6.61674698
  H    -10.45484589     -0.64392020      4.99318146
  H     -5.39188358      1.82826623      4.96205605
  O     -3.33911440      4.39637990      3.14687079
  H    -10.53240294      0.15701592      3.65123330
  H     -7.58687274      2.16592867      1.68936544
  O     -5.02666916      2.37873847      4.26204484
  H     -6.87215731     -2.06651629      0.15808616
  H     -7.77772543      0.71275356      2.17494208
  O     -7.86954266      1.28934806      1.39596547
  H     -5.78478499     -2.95077536     -0.50632786
  H     -6.27071092      3.14671179      3.24368937
  O     -6.92654819      3.58683970      2.68032809
  H     -2.79845544      1.23705504      2.35372117
  H     -6.43793974      4.16803824      2.08471669
          69
 Energy    -248.54706540916368     
  O     11.52804198      9.76840955    -15.09131273
  H     11.83579142      9.24839459    -15.84797153
  H     15.24356483      5.64862835    -16.04388857
  O     16.36374754      6.60115036    -13.25010794
  H     11.99276712     10.61184606    -15.11560506
  H     16.15270601     12.01152845    -15.97011315
  O     16.54000386     10.69463903    -11.34470495
  H     15.68032465      6.52178605    -12.57143586
  H     15.27274031     11.01942566    -16.75701973
  O     17.89000221     12.03648239    -15.22668847
  H     17.03053220      7.21069226    -12.90591606
  H     15.38875837      7.90670944    -14.10481753
  O     13.32180263      5.55876176    -16.13309236
  H     15.79617290     10.81478052    -11.95445678
  H     13.86760470      7.98954410    -14.32840136
  O     15.14465275      9.45727758     -9.31119639
  H     16.16442880     10.33987695    -10.52710583
  H     11.01853541      8.99621918    -13.66987534
  O     14.28060731      6.64366586    -11.37480768
  H     17.93722970     12.29184461    -14.28979725
  H      9.85990441      8.49106929    -12.77303890
  O     14.34991434     10.77817583    -12.99053723
  H     18.55787055     12.54670900    -15.67960332
  H     18.43471264      7.56393918    -10.88240880
  O     17.58041954      7.67697536    -17.17723095
  H     13.03737321      5.81435571    -15.23903797
  H     19.33793248      6.59838369    -10.09963109
  O     15.94469157      6.68263062     -9.11086068
  H     12.86047955      4.75056895    -16.34498493
  H     13.18961921      6.38190189    -12.86618156
  O     18.42288235      9.23583234    -14.91754874
  H     14.29424562      9.39240651     -9.76490921
  H     11.92570950      7.10208327    -13.40670433
  O     16.19355887      5.73573102    -15.90256257
  H     15.42013373      8.54983628     -9.13644466
  H     18.31599069     13.32153191    -11.94450843
  O     15.28701872     11.91197615    -16.38329975
  H     14.79149526      6.51510155    -10.56609266
  H     17.54926013     11.99426371    -12.04272814
  O     14.68772098      8.48452373    -14.43315683
  H     13.87703546      7.52150461    -11.30032851
  H     18.32266139      8.79584019    -13.21996143
  O     10.80796692      8.48124598    -12.86718481
  H     13.87846987     11.40816208    -13.54664670
  H     17.57033520      9.31089195    -11.95719885
  O     18.46589381      6.98424575    -10.10371126
  H     14.52029762     10.00045622    -13.54516689
  H     16.04107781      8.74832254    -17.28302157
  O     12.66601641      6.53741729    -13.66378273
  H     18.14483480      7.30216492    -17.84758719
  H     15.03911443      8.98226177    -16.13618436
  O     18.02499236     12.65936169    -12.56593753
  H     17.11258981      6.93230474    -16.75689299
  H     13.43762719      9.78220643    -11.77111111
  O     18.08578481      8.57153564    -12.30680061
  H     16.86025016      6.75524730     -9.43204230
  H     12.15684784      8.94170260    -11.61012202
  O     15.23068647      9.21931771    -17.05771120
  H     15.97915395      6.20288453     -8.28732756
  H     12.64622789     13.09186483    -15.12565500
  O     13.00574438      9.13478993    -11.19458511
  H     18.18349988      8.73149073    -15.70333730
  H     13.81978819     12.16742737    -15.52910390
  O     13.01856990     12.22746417    -14.97650515
  H     18.22517598     10.16109331    -15.10545635
  H     12.79414925      7.27079160    -16.91201336
  O     12.61149261      8.19547045    -17.11337822
  H     16.31596638      5.88194042    -14.95386601
  H     13.47310479      8.58625191    -17.31247775
          69
 Energy    -248.54697343806572     
  O     14.06017055     11.52408258    -14.99450363
  H     14.46253031     11.98000954    -14.24693842
  H     16.82439445      7.82925172    -11.32335773
  O     16.97659606     10.47427206    -13.07006307
  H     14.73294406     10.91394337    -15.32659090
  H     14.84613981      8.33248650    -11.92568928
  O     15.40155082      8.31120780     -8.58901131
  H     16.42697472     11.22569919    -12.81727613
  H     13.42553028      7.67256740    -11.94414319
  O     10.85774976      7.63488160    -13.46038205
  H     16.61904232     10.13276562    -13.90355890
  H     13.15903295      4.79291603    -13.81858068
  O     18.67174655      6.06952616    -15.23092076
  H     15.98845265      8.60421014     -7.89625281
  H     14.65382154      4.55531954    -13.50671774
  O     12.08879750      5.81511202    -15.05377479
  H     15.83134044      8.53250635     -9.43416437
  H     19.63106703      8.63831159    -13.40206722
  O     17.32630448      6.15095998    -11.71956576
  H     11.14745406      8.54994335    -13.55828732
  H     18.72910081      9.89748902    -13.50067644
  O     12.78784127      9.07795424     -9.34092985
  H     11.09042964      7.38305088    -12.55464143
  H     13.65687309      6.83083886    -15.26909276
  O     18.58266339      8.72496794    -16.36722748
  H     18.61208367      6.88987528    -15.73523186
  H     14.34584255      7.58770586    -14.11466281
  O     12.82080887     11.45415728    -11.08934213
  H     19.18267737      6.28847720    -14.44227051
  H     14.35654076     12.13719443    -11.87728702
  O     12.34117738     10.08052188    -13.39413591
  H     11.58714312      6.45288495    -14.51498098
  H     15.22367044     13.38248406    -12.15665853
  O     16.44554873      8.68323806    -11.06805779
  H     11.47896578      5.45346425    -15.69088714
  H     15.46587951      8.74352245    -15.46591597
  O     14.08171651      8.13970661    -12.47876260
  H     16.89442805      5.84037421    -12.52806603
  H     16.84604359      9.27597278    -15.94385523
  O     13.75990338      4.38978323    -13.18057939
  H     16.81527708      5.83248256    -10.96064571
  H     18.95154052      6.59416863    -12.25810984
  O     19.48028900      9.44708146    -13.90836313
  H     13.65873163      8.85845443     -8.98420562
  H     20.49085312      6.47592155    -12.20749139
  O     14.45944288      7.31382701    -15.04007126
  H     12.89734856      9.88298145     -9.85815561
  H     12.17535112      7.68867121    -10.29615240
  O     15.10032754     12.46844046    -12.40341386
  H     18.98534059      9.02830360    -15.53310740
  H     12.33972376      6.17295034    -10.69601615
  O     16.01962835      9.53603505    -15.51872329
  H     19.14781522      9.02785969    -17.07309776
  H     17.08674776      5.46008392    -14.60556806
  O     19.77478703      6.89234342    -12.68063525
  H     12.53200034     10.98474095    -11.89199086
  H     15.65688110      6.04032365    -14.53388273
  O     12.00637698      7.03019474    -10.98716139
  H     12.06783374     11.95582987    -10.78373304
  H     14.83215400      5.21881707     -9.85941758
  O     16.23762878      5.36898902    -14.14943466
  H     12.79366663     10.58990884    -14.08171026
  H     15.49028217      6.41599301     -9.13173888
  O     15.68285919      5.60133744     -9.60907847
  H     12.96992374      9.40063588    -13.10535823
  H     12.85969521      3.71328694    -10.24768008
  O     13.22482071      4.54356740    -10.54178236
  H     16.71206520      9.33841954    -11.72646011
  H     13.42033417      4.44416654    -11.49207416
          69
 Energy    -248.54697070773142     
  O     12.83060665      5.33207373    -15.48370951
  H     13.58919355      4.75058601    -15.61613910
  H     18.37307999     10.51307047    -12.79522495
  O     17.44611032      6.39755934    -12.45246361
  H     13.18399406      6.23292376    -15.50047893
  H     15.13143809     11.71433057    -14.24927542
  O     15.29309510      9.43202345     -9.43402509
  H     16.81554311      5.92465789    -11.88786067
  H     16.56436528     11.38935499    -14.76028066
  O     18.40697745     10.71168916    -14.60424974
  H     18.12799627      6.79561902    -11.89740542
  H     16.42739304      7.89682326    -12.25431355
  O     15.29510946      3.87059357    -15.46270962
  H     15.45530578      9.11723277    -10.33469165
  H     16.64772934      9.41536908    -12.06621059
  O     13.53118746      7.43952789     -8.70044797
  H     14.59344991      8.86766000     -9.07595739
  H     12.12716722      5.01384559    -13.93130734
  O     15.32448040      5.26950287    -11.10334756
  H     18.18221155      9.93248827    -15.14280094
  H     10.97408321      4.46287481    -13.05740531
  O     13.46365178      9.16624442    -12.94401527
  H     19.06859259     11.19677846    -15.09150493
  H     16.96498051      6.96513465     -8.52949732
  O     15.72123221      5.52918111     -8.40838334
  H     15.79854405      4.69562871    -15.35807294
  H     16.77958851      8.45499756     -8.85092476
  O     15.09572349      9.77376131    -16.99345935
  H     15.76790881      3.33932497    -16.09805275
  H     14.70718445      3.43168075    -13.69301332
  O     16.47130849      6.31587075    -15.03108461
  H     14.17307350      6.76179915     -8.45779704
  H     13.45871732      3.71672974    -12.83516793
  O     18.16897344     10.41149447    -11.85467875
  H     13.20177605      7.19638408     -9.57642372
  H     18.60041553      7.87355935    -10.02813605
  O     15.65573856     11.54517783    -15.04146191
  H     14.59336936      5.89662327    -11.19737422
  H     20.06727197      7.75707838    -10.50958300
  O     15.96869565      8.72882646    -12.09403099
  H     15.08633293      4.49628603    -11.63618411
  H     16.80719046     11.52103883    -11.06341493
  O     11.86181223      4.80830311    -13.01665300
  H     13.38894631     10.12474989    -12.89489332
  H     15.65269952     11.12359011    -10.12675855
  O     17.45138436      7.76570636     -8.75932809
  H     14.38063318      8.98288674    -12.67321165
  H     14.35658802      8.45391068    -15.94284572
  O     14.35865634      3.36874201    -12.79500328
  H     15.70723347      4.69223174     -7.95116947
  H     13.78852795      8.29937921    -14.50542744
  O     19.17956778      7.93038568    -10.81136199
  H     15.61367386      5.33312341     -9.35475528
  H     13.01968996      7.64946982    -11.93369380
  O     15.92731150     11.79108770    -10.77196653
  H     14.79534554     10.21339635    -17.78374840
  H     12.53096322      6.16893262    -11.94277134
  O     14.10049296      7.80500365    -15.27537840
  H     15.23793898     10.46397606    -16.31930906
  H     14.70095182     11.93380392    -12.00924761
  O     13.02032975      6.82547523    -11.42999098
  H     15.66021700      6.84570271    -15.01222166
  H     13.52071632     12.74038521    -12.59188704
  O     14.04608045     11.95643020    -12.72962329
  H     16.86514093      6.32429614    -14.14653632
  H     16.80542047      8.99360251    -16.61296038
  O     17.60192195      8.65579722    -16.18401772
  H     18.64835886      9.64132841    -11.52424492
  H     17.36815299      7.78047996    -15.85171753
          69
 Energy    -248.54689521187765     
  O     12.84890889      9.95423807    -10.67758220
  H     13.73055674     10.31861154    -10.47609607
  H     18.46599794      6.40483038    -14.39247201
  O     16.52177987      5.69176842    -11.89122057
  H     12.21024428     10.54226325    -10.28464923
  H     15.89158601      8.27386612    -16.53284068
  O     16.00617676     11.37796392    -14.90369644
  H     15.66443639      5.35288861    -11.60415231
  H     14.92486962      7.08082862    -16.33119744
  O     11.09824661      6.29541772    -15.63934307
  H     16.75059080      5.27478060    -12.73190587
  H     16.06976417      7.30638291    -12.67783915
  O     16.21837249      8.49322211     -8.58123499
  H     16.25657974     11.26315766    -13.97735643
  H     14.88062510      8.22742535    -13.09617533
  O     12.85668986      5.93740544    -13.45888890
  H     15.09084474     11.08926680    -14.99002816
  H     14.64672760      7.73688769     -9.25277859
  O     13.46435787      9.87376951    -15.49441226
  H     11.52642922      5.74164694    -16.30333842
  H     13.38570739      8.21962126     -9.99137408
  O     12.87869771      7.52918535    -18.50307859
  H     11.55833524      6.10620784    -14.81146811
  H     18.54353337      7.93879323    -10.88477743
  O     17.14042622      4.90193689    -14.50849458
  H     16.90244762      8.11709164     -9.16451717
  H     17.58491183      6.72763391    -10.79267305
  O     17.17828581      8.94464833    -15.47198598
  H     16.56349275      8.45630360     -7.69353683
  H     13.85581241      5.91301261    -10.50149250
  O     14.62687741      5.41575628    -15.53693606
  H     12.86884743      6.89623371    -13.30844434
  H     13.62329133      4.38499158    -10.40652045
  O     18.98836171      7.21196472    -14.35205705
  H     13.12585333      5.52867912    -12.62869605
  H     16.52195874      9.63761121    -12.55446410
  O     15.03295309      7.91873635    -16.79934351
  H     14.05585676      9.24647233    -15.93509247
  H     17.91713047     10.18355051    -12.28146444
  O     15.83441572      8.09895971    -13.17320979
  H     12.59850257      9.72140596    -15.89520627
  H     19.31650917      8.28237059    -12.97671149
  O     13.84328483      7.42680074     -9.69082654
  H     13.71871088      7.75743847    -18.07720801
  H     20.35729973      9.13858612    -12.22708394
  O     18.01322812      7.41860039    -10.26943528
  H     12.21285354      8.06107129    -18.05139576
  H     15.70345450     10.05938331     -9.50296283
  O     13.91878245      5.07401075    -10.99547636
  H     16.28079115      5.07344897    -14.92745920
  H     15.96521825     10.78589323    -10.83907566
  O     16.99422563     10.45535957    -12.33276897
  H     17.48009384      4.10273349    -14.90466563
  H     12.78914801      5.84949036    -18.02499120
  O     19.43181722      8.90778875    -12.24031772
  H     16.95840968      9.88599428    -15.44424255
  H     12.54722481      4.34176283    -18.27702706
  O     15.35278087     10.73919778    -10.09233262
  H     16.73684978      8.56482150    -14.69413343
  H     11.04003284      7.96280809    -16.23379630
  O     12.75452290      4.97514050    -17.59571087
  H     14.04188744      5.58804790    -14.78439432
  H     10.19449502      9.13665962    -16.77773855
  O     11.09226822      8.84291396    -16.64714230
  H     14.06244287      5.12173608    -16.26371048
  H     13.16854158      9.16777261    -13.87576745
  O     13.11888666      8.61384145    -13.08359688
  H     18.51985612      7.84783554    -14.91447354
  H     12.94858662      9.16605732    -12.31069494
          69
 Energy    -248.54688847763299     
  O      4.44458543     -7.97034291      1.79507562
  H      5.00626885     -8.05992881      1.00379576
  H      5.34003773     -8.77073127     -1.11149439
  O     -1.02106071     -4.98481333      1.94274659
  H      4.92556736     -8.36325082      2.51914367
  H     -3.44042853     -7.26461404      0.74207031
  O      3.00152850     -7.53223993     -3.18341858
  H     -0.16258043     -5.34991081      1.68190823
  H     -2.63350471     -6.44854095     -0.29327566
  O      1.27143612     -5.92777812      0.71364629
  H     -1.66911861     -5.59579061      1.57590101
  H      0.48474865     -7.49005755      0.44219539
  O      0.84276153     -4.74811173     -1.79623903
  H      2.05891811     -7.58132255     -2.97516425
  H     -0.96089059     -8.00759744      0.34808487
  O     -1.28962325     -3.04671308     -1.36849242
  H      3.38769594     -8.37238236     -2.90529812
  H      1.75034643     -2.70414451      0.85598949
  O      2.50489829     -9.50930165      0.25503316
  H      2.19091921     -5.76237745      0.95343700
  H      3.08638719     -3.50369711      0.90905731
  O      3.90864920     -5.28806177      1.06683707
  H      1.13005001     -5.46798392     -0.12419401
  H      1.03957121     -1.97402597     -3.02846023
  O      0.31954322     -7.39408545     -2.44622493
  H      1.55784604     -4.10327769     -1.89904759
  H      0.12936798     -2.56376098     -4.11743789
  O     -2.67848948     -5.44446365     -1.71070199
  H      0.03438184     -4.24567769     -1.61547901
  H      3.40687864     -2.89265997     -2.59833129
  O     -0.19238379     -2.51741722      1.18559919
  H     -0.97738290     -2.71657693     -0.51656997
  H      2.72672859     -2.54910847     -1.22026109
  O      5.78235366     -8.10156954     -0.57425224
  H     -0.90476112     -2.49736681     -2.06905023
  H      3.42586119     -9.79384975     -1.18811496
  O     -2.55745610     -6.98231660      0.51814997
  H      1.58495367     -9.22122963      0.29684568
  H      4.07919359    -10.77501086     -2.19388647
  O     -0.04507935     -8.26049091      0.17834150
  H      3.00256312     -8.97471842      0.88508384
  H     -0.96888151     -6.98141457     -3.63710171
  O      2.66184885     -2.71987004      0.54075755
  H      4.15828279     -5.38283678      0.13416173
  H     -2.03528600     -7.18862937     -4.73798476
  O      0.15368336     -1.90565679     -3.41382157
  H      4.16363699     -6.11565098      1.49398959
  H      0.58279521     -4.52330705     -3.70943201
  O      2.57681412     -2.64883214     -2.17377392
  H      0.14474094     -7.84475510     -1.60975956
  H     -0.38337981     -5.13160125     -4.72503503
  O      4.00058722     -9.85097233     -1.97390227
  H      0.49951349     -6.46757721     -2.22262880
  H      4.77134507     -5.05313446     -2.19545406
  O     -1.62681695     -6.52426963     -4.18829213
  H     -2.34467135     -4.54207503     -1.61101039
  H      3.94441629     -6.35744159     -2.10227915
  O      0.36660573     -4.52945700     -4.65119588
  H     -2.44628743     -5.73238525     -2.59983213
  H      3.08261060     -6.16189420     -4.47531998
  O      4.53422789     -5.77567151     -1.60244273
  H     -0.55484670     -3.35329314      1.52953448
  H      2.16867102     -5.04315103     -5.03187834
  O      3.09062649     -5.31141913     -4.93484778
  H     -0.43322186     -1.83634855      1.80911486
  H      4.21242219     -4.26406699     -4.12687048
  O      4.78372227     -3.74123771     -3.53376411
  H      5.54776954     -7.25166888     -0.97082806
  H      5.48604089     -3.38106775     -4.06767077
          69
 Energy    -248.54688620788104     
  O     11.48688972      8.59599474    -14.98280213
  H     10.63574106      8.73199986    -15.38976959
  H     17.02468458      5.29869410    -15.27969386
  O     16.62972336      6.72882415    -12.41696459
  H     12.01414709      9.39814443    -15.15284120
  H     19.73763163      8.78971078    -14.07979943
  O     16.83249385     11.35273656    -11.60646671
  H     16.86493833      6.03751854    -13.05509583
  H     21.00311472      9.11931580    -13.25602918
  O     17.11807633     10.28313901    -15.76875215
  H     15.73588504      6.53413877    -12.10755321
  H     15.85165482     10.50873039    -16.92882458
  O     13.94683533      4.63313364    -13.98951532
  H     16.39636296     11.54630004    -10.76917391
  H     15.17226451     11.12527411    -18.17430396
  O     13.37344708      9.81769491    -10.55086151
  H     17.23342273     10.47408619    -11.51428888
  H     16.05788215      7.83758173    -13.73918609
  O     13.96748532      6.15340536    -11.69788686
  H     17.57750856     10.86615029    -15.14741571
  H     14.96582474      7.91058131    -14.84868973
  O     14.55254445     10.50637432    -12.96383179
  H     16.63610749      9.61927364    -15.25027345
  H     12.14293299      8.68884129    -11.74662132
  O     17.49250753      6.19525240    -16.86248472
  H     13.47843463      3.80966882    -13.87642989
  H     11.74393138      8.20944896    -13.16783946
  O     14.40923826      7.42037024     -9.26799556
  H     13.94883326      5.07311680    -13.12257717
  H     16.30286087      9.80081517     -8.89478160
  O     19.04349824      8.24088479    -15.58823210
  H     13.70963026      8.97483564    -10.21934190
  H     17.25800562      8.85893891     -9.66644951
  O     16.81407970      4.90472252    -14.42302335
  H     13.77368369      9.99119724    -11.41869688
  H     19.16530016     10.92424940    -13.61222256
  O     20.05462366      9.21648494    -13.26361307
  H     13.23813016      6.72901083    -11.98083315
  H     17.97492628     11.72676533    -13.05203894
  O     15.04772952     10.48450206    -17.47874045
  H     14.14377837      6.39923666    -10.78109544
  H     18.80921489      8.95051965    -11.91969144
  O     15.62379249      8.42715649    -14.36792599
  H     15.33236056     10.94072326    -12.59432571
  H     17.56418245      8.05907146    -11.69443988
  O     11.97236301      7.90618088    -12.28052385
  H     14.87795041      9.72653512    -13.43857415
  H     14.49851276     10.93742771     -9.63968382
  O     16.64335198      8.89849031     -8.92076062
  H     17.85041447      5.72705202    -17.61300014
  H     14.89141919     12.08502517     -8.68204150
  O     18.53183026     11.61773135    -13.83438529
  H     16.74672084      6.72242067    -17.19759482
  H     15.21681985      8.57053469    -17.75051971
  O     18.02837305      8.84215246    -11.36252294
  H     15.26158723      7.86286520     -9.11006403
  H     14.63254739      7.29429143    -17.11742934
  O     15.25292667     11.40434006     -9.24382531
  H     14.05126767      7.20462134     -8.41041359
  H     13.73608405     10.68211836    -16.10053022
  O     15.32244505      7.61320637    -17.71664333
  H     18.47682847      8.98819791    -15.82332397
  H     13.58727399     10.84666548    -14.56155017
  O     13.09339459     10.71352913    -15.38150166
  H     18.61348199      7.46850658    -15.97087192
  H     13.62982169      6.07473426    -15.12653688
  O     13.62671256      6.89446390    -15.63574805
  H     15.87390748      4.69141433    -14.43457754
  H     12.81706220      7.37908287    -15.43025837
          69
 Energy    -248.54663691399782     
  O      4.03277979     -4.46486388     -5.26876255
  H      3.07999232     -4.43263860     -5.11612110
  H      0.24986633     -5.55855332      2.24227586
  O      5.13326467     -2.51902976     -3.71788262
  H      4.33954597     -5.29606919     -4.88377962
  H      3.43620970     -2.31983078     -2.84378942
  O      1.72853456     -8.05905646      0.92748915
  H      5.67823419     -1.90526533     -4.20262830
  H      2.87377223     -3.00028143     -1.58048987
  O      1.82624653     -6.09036372     -1.00592421
  H      4.79329307     -3.16447533     -4.36346754
  H      4.45638746     -9.22238211     -1.68534751
  O      0.70760208     -9.22877198     -2.92679439
  H      1.84003792     -7.40011707      0.22265380
  H      5.86416082     -9.70564998     -2.10482980
  O      0.01087378     -3.97385265      1.08662829
  H      1.28197414     -7.59159736      1.64973822
  H      2.13685418     -9.65176298     -1.73509425
  O      2.46596326     -3.20402094      2.33830575
  H      2.00484175     -6.43113681     -1.89026298
  H      2.52369244     -9.28463208     -0.29033613
  O      3.40528181     -4.00858827     -0.19505997
  H      0.89002179     -5.85275110     -0.98977921
  H      3.00624444     -6.93498746     -3.68379658
  O      1.37354349     -4.32739142     -4.15549160
  H      1.14032759     -8.42779649     -3.26921577
  H      1.72624966     -6.07621066     -3.90291424
  O      5.55198603     -4.61331230     -1.80492277
  H      0.43058909     -9.73797674     -3.68434886
  H      3.54912659     -5.95999341      3.24019229
  O      4.76504538     -6.65212547     -3.56037110
  H     -0.04947212     -3.36908054      0.32942481
  H      3.39241500     -5.61774478      4.74344690
  O      0.59077030     -6.32288538      2.72171827
  H      0.79709698     -3.68483181      1.56493190
  H     -1.22218095     -4.75032986     -2.38669544
  O      2.61378036     -2.52712838     -2.38533426
  H      2.72823016     -3.91844762      2.94192604
  H     -2.15385771     -4.12498079     -3.45178948
  O      5.32098570     -8.92631245     -2.02075423
  H      2.60452703     -2.38128161      2.80111817
  H      5.78629173     -7.61054602     -0.69658547
  O      2.87129213     -9.65875223     -1.10931553
  H      2.85119491     -4.78006624     -0.39133563
  H      5.98571473     -6.08705346     -0.62359593
  O      2.03888529     -6.95685442     -3.65122885
  H      3.17264130     -3.69978572      0.68628536
  H      0.88658399     -2.25633207     -1.60670541
  O      3.08237761     -5.38196275      3.87393965
  H      1.80456700     -3.71733936     -3.53920261
  H     -0.50643977     -2.82468600     -1.90101280
  O     -1.24900149     -4.14845035     -3.15165031
  H      0.42741871     -4.25418346     -3.97817163
  H     -0.01613927     -8.46583187      0.05300585
  O      5.91005282     -6.87950494     -0.07964196
  H      4.86095475     -4.39471658     -1.16066154
  H     -0.35491185     -8.72686561     -1.42050758
  O      0.01991756     -2.40804065     -1.20897862
  H      5.60235587     -3.85865879     -2.40262590
  H     -1.02921248     -6.62222692     -0.73427650
  O     -0.72222431     -8.37880560     -0.59762837
  H      5.03709909     -5.95293146     -2.94797292
  H     -0.81460275     -5.19069593     -0.09151160
  O     -0.97317985     -5.67174266     -0.91453239
  H      5.03839017     -7.48485047     -3.15443577
  H      3.43644225     -7.52193741      1.69096676
  O      4.16445885     -7.01361121      2.06393658
  H      1.33166573     -6.00015297      3.24887818
  H      4.83035903     -6.93470286      1.36626655
          69
 Energy    -248.54631632974338     
  O      0.99391642      0.03403990      2.72315066
  H      1.11874241      0.96722732      2.93639554
  H     -2.26205094      3.34522072      0.45936127
  O     -3.38385636     -0.00015270     -3.20956605
  H      1.34912495     -0.14444631      1.83909807
  H     -2.53072336      0.50369462      5.24540437
  O     -0.16636188     -1.56385387      4.71766139
  H     -2.50217672      0.36434716     -3.05908816
  H     -2.31018051      0.49894193      6.76361976
  O     -4.62625711      0.23109927     -0.74675637
  H     -3.27128434     -0.95815630     -3.16645649
  H      0.89842385      3.30687512      1.58463638
  O     -2.96087839     -2.77565978     -2.55913149
  H     -0.69029216     -0.92609950      5.22192281
  H     -0.19514575      3.89744975      0.68301190
  O     -0.57634301     -1.90602790     -1.20622253
  H      0.34915586     -1.05690136      4.07699937
  H     -3.24486967      1.28427286     -0.33286662
  O     -1.80739567      3.13079614      3.50502671
  H     -4.36027427      0.26564534     -1.67784586
  H     -1.82090824      1.47832779     -0.92237589
  O     -4.13279696     -2.16518140      3.94252792
  H     -4.50559395     -0.69052087     -0.48103279
  H     -0.69554134      0.11188600      2.13580566
  O      0.89236608      2.75877363      3.39192398
  H     -3.21534425     -3.56842916     -3.02516091
  H     -1.76930787      0.69320105      1.13663652
  O     -0.80604606      0.71981367     -2.18444360
  H     -3.48692246     -2.75312865     -1.74227094
  H     -3.38707414     -2.57924598      0.38967505
  O     -3.49181959      0.71740922      3.68647218
  H     -1.22347997     -2.27252593     -1.82102918
  H     -4.92957110     -2.57147643      0.54642876
  O     -2.07571253      4.19741903      0.89257339
  H     -0.88154156     -2.19332421     -0.33329991
  H      1.70404255      0.32925650     -0.42569287
  O     -1.89543518      0.26513554      5.93649189
  H     -2.00372534      3.57459626      2.66907634
  H      1.04266473     -1.06284694     -0.38468440
  O      0.69969814      3.53788647      0.66886046
  H     -2.47637960      2.44826444      3.61763031
  H      2.28634824      2.41125031     -1.80758832
  O     -2.40803488      1.75207944     -0.20415481
  H     -3.31401425     -2.67605525      3.96211585
  H      1.27184719      2.56577209     -0.64920992
  O     -1.61723316      0.05962493      1.84854956
  H     -3.88175396     -1.23816105      4.00954819
  H     -1.41054036     -4.39806489      4.22650562
  O     -4.21864315     -2.50044352     -0.10259130
  H      1.31570631      3.17424699      4.13866908
  H     -1.07870182     -2.88690932      4.16361731
  O      1.63281813     -0.47642349      0.10129274
  H     -0.06707255      2.86832697      3.51851887
  H     -1.77179608     -1.62700772      1.45363892
  O      1.56009741      1.97636711     -1.36903463
  H     -0.68738025     -0.17872917     -1.84302746
  H     -1.69876578     -3.06399341      2.02489426
  O     -1.66464892     -3.58122912      3.80716984
  H      0.03146489      1.18252839     -2.05543849
  H     -5.37204370     -2.38851719      2.75464478
  O     -1.79648965     -2.56551346      1.20577535
  H     -4.30715026      0.75454713      3.16596749
  H     -6.79846518     -2.85081535      2.36748234
  O     -6.02954323     -2.39612403      2.03482221
  H     -2.79105961      0.44991838      3.06853587
  H     -5.91166784     -0.44277417      1.99551462
  O     -5.60574238      0.46965571      1.92551960
  H     -2.64693728      4.84488758      0.48819568
  H     -5.38850442      0.58501140      0.99203890
          69
 Energy    -248.54628312379668     
  O     15.10210479      8.76146651     -9.35680905
  H     14.85580919      8.81490189     -8.43802306
  H     17.64650390      7.75222002    -17.96325378
  O     16.21006939      4.87268386    -13.86398128
  H     15.39277101      7.84428856     -9.51849257
  H     16.24625949     11.59244500    -15.09421757
  O     17.97669881     11.48924593    -14.51709961
  H     15.64158576      4.62970808    -13.12220838
  H     15.32535826     10.47840762    -15.62616584
  O     11.68856468      8.52293742    -13.47399303
  H     17.13568636      4.78041544    -13.60413285
  H     15.06218345      7.82770895    -12.99475586
  O     18.26416132      6.75722830    -11.24693483
  H     18.58931320     12.10053432    -14.11365022
  H     15.87063947      6.67513897    -13.70297891
  O     12.47747650      5.76917920    -13.62275057
  H     18.02204210     10.68212730    -13.98422467
  H     15.29183790      5.74473265    -10.66485836
  O     14.24310364     11.26488849    -12.71182187
  H     11.39424857      9.44052354    -13.43750133
  H     16.69813541      6.38270631    -10.45806106
  O     12.55304290     11.29658254    -15.97718356
  H     12.43528006      8.47895388    -12.85547355
  H     19.06905725      5.78925712    -13.94823028
  O     15.54351553      5.24399423    -16.53192459
  H     18.59806415      6.10686401    -11.87652412
  H     19.73650749      4.46295598    -13.50431475
  O     15.21537620      8.74697587    -16.08162707
  H     18.28597388      7.60369679    -11.70564848
  H     13.83197438      3.91164424    -11.47238325
  O     12.86913044      5.66070330    -16.46710240
  H     12.02877024      6.61649117    -13.52080783
  H     13.59941900      5.07096163    -12.46562911
  O     17.35849854      7.42960415    -17.11262247
  H     12.60515583      5.65375249    -14.57227615
  H     17.52191461      9.70270899    -12.20728967
  O     15.32132305     11.38460148    -15.28427435
  H     14.64496388     11.34219343    -13.58934209
  H     17.13860206      8.59749808    -13.22005490
  O     15.72393997      7.62771988    -13.67028558
  H     13.30130597     11.43928185    -12.82866361
  H     18.52045598      7.36596463    -15.61546981
  O     15.81544071      6.28866780    -10.06777736
  H     12.47840050     10.37529610    -16.25713597
  H     18.83256442      8.04189930    -14.25482000
  O     18.96264127      5.00488077    -13.37891292
  H     13.49652127     11.47786708    -15.87080758
  H     12.18585395      8.45896555    -15.25088927
  O     14.26155581      4.65803881    -11.88321029
  H     15.79494949      5.00227705    -15.62867184
  H     12.50749937      7.49427775    -16.41275910
  O     17.87859802      9.14970637    -12.92120305
  H     16.20327552      5.87962457    -16.82871698
  H     16.11438764     10.03926304    -10.38518678
  O     19.06109708      7.29414281    -14.81848735
  H     15.39147232      8.33582225    -15.21973985
  H     15.78567763     11.02335352    -11.52547769
  O     12.47211359      8.43008050    -16.17577720
  H     14.26840019      8.64316144    -16.23842783
  H     11.79578892     11.42843528    -14.40788160
  O     16.51821223     10.60738358    -11.05381322
  H     12.45288836      5.01061528    -17.02713519
  H     10.79413080     12.03326773    -13.39536377
  O     11.48554155     11.38308446    -13.48504170
  H     13.82942310      5.51554128    -16.53759917
  H     14.18256612      8.62019688    -10.95812248
  O     13.89466811      8.65869318    -11.87729035
  H     16.60062511      7.97907091    -16.84777498
  H     14.05717346      9.56749261    -12.17546469
          69
 Energy    -248.54600194512926     
  O     13.06075150     12.03520793    -16.19545676
  H     13.36120601     11.27897070    -16.72823308
  H     13.63244248      6.95454040    -19.74818523
  O     11.68245368      7.54880353    -13.53581608
  H     13.82935003     12.60848330    -16.03830374
  H     13.14142084     13.06025349    -17.92067671
  O     13.61544707     11.07998442    -13.61959339
  H     11.34835048      7.43152546    -14.43426887
  H     12.86262069     12.91933683    -19.41925696
  O     10.71849311     10.54823951    -15.87819166
  H     11.34028481      8.40383515    -13.24711528
  H     16.97468939      9.03517314    -18.45459734
  O     11.07343879      7.76968800    -16.33257539
  H     13.39211788     11.41572677    -14.49892017
  H     16.37424071      7.80866088    -19.17491530
  O     16.54322556     10.22925226    -17.06919168
  H     14.47286545     11.46343098    -13.39703495
  H     13.78356196      9.88881278    -18.57658676
  O     13.78351366      7.30012552    -16.52614877
  H     11.45284003     11.16209651    -16.02211990
  H     13.73609489      8.95350586    -17.31931955
  O     15.36637360     13.39959626    -15.81058185
  H     10.60404901     10.49953658    -14.92140317
  H     11.09558754     11.40526589    -19.82561283
  O     13.71262214     10.02223026    -20.40910424
  H     10.98010823      8.72246202    -16.19225189
  H     11.05985632     12.27905040    -21.10309310
  O     14.29627992      8.34103403    -14.01836901
  H     10.74136147      7.59264732    -17.22176949
  H     16.13625030      8.93918265    -14.21298535
  O     16.39891955     10.80588044    -20.74702521
  H     16.63604805     11.10744428    -17.45949255
  H     16.85471475      9.72371107    -15.34033670
  O     12.86258943      7.40021492    -20.11867976
  H     15.60543634     10.02307306    -17.19613343
  H     14.70390163      6.64857605    -17.88631575
  O     13.49521737     13.28294953    -18.78833722
  H     14.10286907      7.60242223    -15.66441620
  H     15.45572062      5.50735281    -18.60759069
  O     16.94203171      8.57663383    -19.30575647
  H     12.81678313      7.31805397    -16.48050511
  H     16.39612936     12.11905577    -19.30116756
  O     13.85629163      9.86391807    -17.61395979
  H     15.84299610     12.99513648    -15.07520042
  H     15.27637830     12.91878056    -18.63004305
  O     11.64879225     11.90312535    -20.45463903
  H     15.88536081     13.26462874    -16.61183360
  H      9.79100711      7.03102757    -19.53287367
  O     16.86136450      9.55116016    -14.38704504
  H     14.58232267     10.37929745    -20.62759315
  H     11.27207467      7.47451758    -19.45168288
  O     15.14734745      6.40387369    -18.71672169
  H     13.05020431     10.71030002    -20.55307426
  H     11.93957160     10.61985928    -13.10783798
  O     16.18993098     12.61770660    -18.50174174
  H     13.47949918      7.90686491    -13.73030230
  H     10.63719055     10.75407471    -12.28728947
  O     10.39455179      7.58228969    -19.04223079
  H     14.12550446      9.28578617    -13.90894739
  H     16.87002808     12.30560956    -12.77383552
  O     11.01671443     10.32112351    -13.04815543
  H     16.94832388     10.87859010    -21.52300654
  H     16.57486960     11.13757787    -13.74663299
  O     16.27105968     12.01681079    -13.45673745
  H     16.64684135      9.97344597    -20.30442151
  H     10.23782151     10.52351455    -17.74119892
  O     10.22324715     10.41602964    -18.69941595
  H     13.16222814      8.28874953    -20.35844005
  H     10.21968975      9.46475419    -18.86356591
          69
 Energy    -248.54597227996237     
  O     -2.83944416      4.80380139     -2.75317204
  H     -1.97402354      4.86972123     -3.17269120
  H     -1.82133042      4.49088965     -0.07284887
  O      2.85132690      2.47802080      4.36042762
  H     -2.71118769      5.16996797     -1.86742776
  H      0.19325727      1.21707557      2.75961271
  O     -1.61423296      2.67697401     -0.02628498
  H      3.23934097      2.66467107      5.21064708
  H     -0.85505834      0.11436510      3.07944034
  O      0.17722741      2.28071353     -3.48437721
  H      2.81346808      1.50839728      4.27338014
  H     -3.36024719      3.14097713     -2.40560739
  O      1.02658521     -0.63596607      0.35986373
  H     -1.95646229      2.54162279      0.86564100
  H     -4.25292231      2.23555169     -1.48372868
  O      0.51266708      3.05341871      2.88225113
  H     -2.28239609      2.39782442     -0.66464434
  H     -1.63148785     -0.44757600     -1.68884009
  O     -0.07166276      4.95016493     -3.59014223
  H     -0.51831195      1.62344964     -3.60231036
  H     -0.72859269     -0.83632627     -0.49454096
  O     -4.17098887      4.33126695      1.37205802
  H      0.55555590      2.09599484     -2.61242777
  H     -1.33818624      3.04638907      2.91489876
  O      3.83319345      2.48789358      1.65605868
  H      0.61683369     -0.39480181      1.20516375
  H     -2.45102091      1.97613998      3.12606199
  O      2.62238534     -0.17421172      3.81079727
  H      1.97725102     -0.64578892      0.52786374
  H     -3.18096976     -0.35555252      4.08416178
  O      0.61108644      6.07259875     -1.11949416
  H      1.25164687      2.97060718      3.49826300
  H     -3.05412715      0.03676733      2.58796484
  O     -2.00926380      5.44072730     -0.13691214
  H      0.87170424      3.44811883      2.07579472
  H     -2.58648709      1.03599224     -2.97893780
  O      0.05397468      0.26052401      2.79172353
  H      0.03289622      3.98076110     -3.58186430
  H     -2.45758219     -0.06442124     -4.05840904
  O     -3.50915686      2.23261574     -2.09871451
  H      0.16670243      5.24020142     -4.46683198
  H     -2.98669250     -0.24464354      0.33454430
  O     -1.64723370     -0.74041207     -0.77073347
  H     -3.59116897      3.89113956      2.01136732
  H     -4.20991204      0.69580681      0.61241138
  O     -2.26984461      2.84617820      2.74961851
  H     -3.59610653      4.93788489      0.89025304
  H     -6.22660523      2.23984771      0.13733863
  O     -2.65491597      0.14999307      3.47208399
  H      3.63882208      2.58223552      2.59657653
  H     -4.94179497      3.01124926      0.51707249
  O     -1.96454183      0.41360635     -3.39628928
  H      3.24391256      3.10847065      1.20815216
  H      1.43270110      4.77923325      0.03887355
  O     -3.63556672      0.02921605      1.00091810
  H      1.68311111     -0.18452315      3.57713157
  H      1.50849633      3.23554201     -0.01087915
  O     -5.27856612      2.23444119      0.03597700
  H      3.09060293     -0.33858635      2.98300037
  H     -0.05380323      2.10802831     -0.56582905
  O      1.73810417      4.00957887      0.52921040
  H      1.00345506      6.92664599     -1.28687749
  H      0.98748258      0.95988769     -0.49614286
  O      0.83969144      1.84723629     -0.84439958
  H      0.40632424      5.68692827     -1.98672768
  H      4.56228533     -0.49767646      0.82005012
  O      3.71854227     -0.19884373      1.14895887
  H     -1.16000381      5.84952422     -0.33406761
  H      3.78761279      0.76684175      1.25318542
          69
 Energy    -248.54588463450426     
  O     15.07509809      9.32383536    -10.18089404
  H     15.03739177     10.09653214    -10.76251870
  H     12.08115861      8.23048427    -10.63785555
  O     14.00088496     12.19402047    -15.43902633
  H     14.17402629      9.03890445     -9.98663392
  H     17.29175247      6.98931973    -15.45050358
  O     17.49391241     10.30265769    -13.30807845
  H     13.48231570     11.57486006    -14.90998875
  H     17.99053999      6.43738684    -14.20873198
  O     12.32349251      6.66651849    -13.85594194
  H     14.38962177     12.81326801    -14.80894630
  H     16.29621373     13.41178650    -13.98284712
  O     16.80832525      5.68991267     -8.96273759
  H     18.09765699     10.03793262    -12.60381158
  H     15.60880099     14.62660161    -13.31285826
  O     17.56256298     12.61223016    -14.88815142
  H     16.65698651     10.54473387    -12.89013988
  H     13.49420802      9.56228237    -14.07500345
  O     15.62154446      7.46343944    -12.23144308
  H     12.81893931      5.99920653    -13.35763723
  H     12.27813829      9.80329960    -13.14985664
  O     15.07050355     11.25674034    -12.14964140
  H     12.99008597      7.13964279    -14.37053565
  H     15.92856463     11.58359079    -17.90473599
  O     18.36114840      7.01839731    -12.50386004
  H     17.11179072      5.15913699     -8.23012700
  H     15.29196177     11.60922340    -16.49677111
  O     19.15391015      9.38247535    -11.20928833
  H     17.13411506      5.25584778     -9.77149903
  H     11.55994775      7.77695879    -12.80905208
  O     16.29750869      4.04018032    -13.70833203
  H     17.20312624     12.26817208    -15.71505390
  H     10.26678461      8.50361905    -12.37032154
  O     12.57190691      8.12905032     -9.80715668
  H     17.71924619     11.83356858    -14.33475014
  H     13.61017408      6.42549001     -9.65170819
  O     17.48676933      6.16622566    -14.99042943
  H     15.43275557      8.03890861    -11.48073118
  H     14.95931674      5.70199072     -9.37584206
  O     15.50503149     13.69601280    -13.49001467
  H     15.08015150      6.66698211    -12.15480665
  H     14.05664897      5.04703804    -11.43025831
  O     12.96551561     10.25651847    -13.64726395
  H     15.21321468     12.16449586    -12.44416929
  H     14.78796228      4.61524695    -12.77218764
  O     16.08305288     11.33930792    -16.99598418
  H     14.30916105     10.92462489    -12.64793841
  H     17.25702309      4.23148672    -12.01764060
  O     11.20722445      8.46722702    -12.21596492
  H     18.81829423      7.76924135    -12.11234322
  H     18.14296085      5.41951623    -11.64960546
  O     14.06338100      5.57809389     -9.71511386
  H     17.41095483      7.20272754    -12.41794409
  H     14.90514753      7.95938833    -13.80202714
  O     14.04955602      5.11057288    -12.39695104
  H     19.96130342      9.73007109    -10.84133300
  H     15.25697232      8.47066893    -15.20517233
  O     17.73487122      4.62296861    -11.27861997
  H     18.61326083      9.06845756    -10.46128335
  H     17.35833374      7.50129446     -9.12088863
  O     14.50958624      8.24892553    -14.63847808
  H     16.36066738      3.26575791    -14.26161673
  H     16.66511915      8.83301110     -9.45856694
  O     17.52897399      8.43883777     -9.27032166
  H     16.66353960      4.77790435    -14.22714300
  H     17.21508452      9.32393616    -14.89073695
  O     16.94279330      8.94427233    -15.73934832
  H     11.94039323      8.25176090     -9.10141939
  H     16.72392053      9.69556166    -16.30488712
          69
 Energy    -248.54554352598586     
  O      2.12131544     -0.89379265      5.89912012
  H      2.28393973     -1.21389374      5.00112683
  H      0.44445066      2.51113734      2.23404286
  O      0.48741083      2.56763212      8.08855790
  H      1.85896914      0.03432126      5.82074235
  H     -1.72581270      0.56536947      4.22562880
  O     -2.42540428     -4.64284841      5.09543155
  H      0.56731492      1.70002333      8.52471572
  H     -1.19695303      1.83180289      3.49554993
  O      2.33275851     -4.80617471      7.01139020
  H      0.74026047      3.22454348      8.73119609
  H      0.04931762      0.78821990      0.98084034
  O      2.20310088     -1.80303366      3.28732812
  H     -2.99063284     -3.92655570      5.40091552
  H      0.11206142     -0.75786198      1.06251151
  O      1.92540084     -4.38415119      4.36872478
  H     -1.81466572     -4.82687221      5.82607480
  H     -1.96384185      1.70762419      6.14171463
  O      1.93018304     -2.26181987      8.30858709
  H      2.27015847     -4.66048271      6.04966057
  H     -1.31270086      2.11339157      7.47570992
  O      0.48797784      0.05975933      9.11026707
  H      2.97996811     -5.49391720      7.14287078
  H      1.90405184      2.21216581      3.88971765
  O     -0.71335326     -3.13156561      9.23991862
  H      1.29377517     -1.86506501      2.96202000
  H      2.52736736      1.70100286      2.56193966
  O     -0.41071893     -2.11253252      2.24486780
  H      2.65832583     -1.18342977      2.70451913
  H      0.50944745     -1.71450850      5.93716054
  O      3.07918683      0.17573272      1.51002042
  H      2.18797004     -3.54667914      3.96554217
  H     -0.33316200     -3.00781967      6.20238459
  O     -0.46150864      2.41492961      1.88643191
  H      1.08443058     -4.61832958      3.95861853
  H     -0.80815459     -5.57850576      2.55617679
  O     -1.38114573      1.45820391      4.36612820
  H      2.15151501     -3.16050602      8.03633645
  H     -1.30912552     -4.73465880      3.74914580
  O      0.51400077      0.01369624      0.64087980
  H      2.12542566     -1.72231796      7.52689868
  H     -1.38280885     -1.32535748      7.19407601
  O     -2.07380524      1.65460708      7.10058523
  H     -0.38174628     -0.28072073      8.87546944
  H     -2.14768977     -0.03884667      7.63254019
  O      2.03039684      2.42809957      2.95578034
  H      1.09914544     -0.67708265      8.98815295
  H     -3.36381533     -1.86010166      6.81921698
  O     -0.38050966     -2.08718231      5.91935951
  H      0.17623647     -2.79536033      9.06520648
  H     -4.79468941     -2.30580561      6.46837591
  O     -0.61937445     -4.79377242      3.06479357
  H     -1.31972320     -2.42497243      8.98810196
  H      0.46144509     -4.94065930      7.04491201
  O     -2.01408136     -0.97637172      7.84393986
  H     -1.12529584     -1.73071936      2.77292459
  H     -0.67146307     -4.30658492      7.88870787
  O     -3.89708830     -2.30422345      6.14312730
  H     -0.47074905     -3.06715000      2.37895302
  H      0.27995158      1.55636114      5.13652307
  O     -0.47882741     -4.72663944      7.03661317
  H      3.71589829      0.20890787      0.80122460
  H      1.03082472      2.09106123      6.38278641
  O      1.16009657      1.66778507      5.52485890
  H      2.19736093      0.12124484      1.09696725
  H     -3.01092601     -1.46411541      4.56784915
  O     -2.20050226     -1.17581398      4.13753543
  H     -0.66485145      3.22032907      1.41800590
  H     -1.48912715     -1.52396518      4.70356071
          69
 Energy    -248.54547190526569     
  O     14.01739356     12.58050484    -14.08407174
  H     13.71001704     12.30797397    -14.95696598
  H     17.46403633     10.83540224    -15.26512586
  O     14.30409334      6.58153895    -13.88940948
  H     14.97789972     12.49747426    -14.10106664
  H     15.02998595      9.43228933    -15.49657329
  O     18.22624613      8.17846971    -12.20613012
  H     15.18239663      6.21875358    -13.72192720
  H     13.65985571      9.27830522    -14.81745722
  O     11.95563408      9.29902673    -15.54357091
  H     14.46761461      7.47636887    -14.22477800
  H     13.15877276     12.09518714    -12.63597756
  O     15.48168507      8.00328499     -8.84501569
  H     18.25186997      7.87514031    -11.29032419
  H     12.21128520     12.56669841    -11.50981075
  O     12.93422150      7.47299132    -11.64838009
  H     17.49086450      8.80547130    -12.27604344
  H     16.60545861      5.24803544    -11.88742904
  O     16.09967416      9.90892016    -12.47759181
  H     12.13473870     10.16415140    -15.92793850
  H     17.02185156      5.71271454    -10.47959347
  O     15.04349817      7.38985854    -18.00002241
  H     11.58800196      9.41708035    -14.65264434
  H     11.73390938      8.74694011    -12.42707820
  O     14.02333533      5.70847946     -9.74458137
  H     15.04376827      8.73456315     -9.29968531
  H     11.71440854     10.29079765    -12.50708367
  O     17.15481842      7.20037077    -16.06511291
  H     14.92309922      7.23020665     -8.99728897
  H     20.20286913      8.08628505    -14.72643747
  O     12.96149679      6.80697994    -16.37864862
  H     13.13877436      6.84391678    -10.94563908
  H     19.31087098      8.61922761    -13.59595899
  O     17.74253159     10.10469095    -15.83134298
  H     13.36349655      7.12295173    -12.44277019
  H     17.45678992      6.72971836    -13.07468752
  O     14.61073129      9.21389256    -14.65727590
  H     15.50131255      9.89759283    -11.72012462
  H     17.10066532      6.28376357    -14.49979765
  O     12.67740060     11.80371451    -11.84203771
  H     15.57414100      9.63895669    -13.24727073
  H     18.51216986      7.08569684     -8.84772856
  O     16.39858701      5.14522803    -10.94997535
  H     14.98874162      6.88651066    -18.80759785
  H     17.09827196      7.53416539     -9.28872340
  O     11.34753747      9.49225664    -12.90490701
  H     14.27125196      7.14193453    -17.46016534
  H     15.28213852      9.17849005    -17.65559335
  O     19.75552996      8.87293828    -14.42030621
  H     14.83043803      5.43567251    -10.21734851
  H     16.30857698     10.13753101    -16.96664524
  O     17.02397256      6.02101588    -13.57036036
  H     13.69092534      4.93374375     -9.29937140
  H     13.61699324     10.52078596    -10.87493285
  O     17.94570216      7.17572159     -9.60917254
  H     17.38006904      8.13220178    -15.96949376
  H     13.69033306      8.97096308    -10.94959008
  O     15.39340725     10.05978753    -17.27228560
  H     16.48090755      7.15997145    -16.75384651
  H     16.65792321     11.35642262    -13.31418446
  O     14.12025884      9.75453516    -10.57259266
  H     13.31016700      6.48400061    -15.53781652
  H     17.48016502     12.65095031    -13.52596633
  O     16.85576657     12.06652279    -13.94989219
  H     12.46810535      7.61258263    -16.16883897
  H     12.95715688     12.19018942    -17.40002020
  O     13.20458248     11.63200047    -16.66674513
  H     18.54051338      9.74439349    -15.41702409
  H     13.98272111     11.12448797    -16.95387716
          69
 Ord_Energy   -248.545425    
 O   0.681746483       8.69936180      -15.9745960    
 H   0.319643945       8.77942371      -16.8530312    
 H   0.322530806       9.44112778      -15.4519196    
 O    4.16298580       12.6464729      -9.77756405    
 H    3.20105290       12.7302008      -9.83112812    
 H    4.33799219       11.7820673      -9.38889599    
 O    3.89518499       7.01874542      -13.1518316    
 H    4.34146500       7.55134106      -12.4820642    
 H    3.08366847       6.68399048      -12.7500687    
 O    4.80696678       11.0646954      -15.4561386    
 H    4.31945276       10.2236357      -15.4192009    
 H    5.18191385       11.1260872      -16.3308868    
 O  -0.404170722       10.5969372      -14.4133129    
 H   -1.13736641       10.1707220      -13.9536905    
 H   -4.41371910E-02   11.2671328      -13.8204298    
 O   -1.09057117       10.6606998      -8.11991310    
 H   -1.11416161       11.6206503      -8.21712208    
 H  -0.155426100       10.4179468      -8.10080910    
 O  -0.460511416       7.01985884      -13.9684200    
 H   -1.17648613       7.59295893      -13.6668205    
 H   -6.15108386E-02   7.47393322      -14.7206469    
 O    1.64393175       10.0266705      -8.72680855    
 H    2.59933853       9.95150089      -8.61837769    
 H    1.41021681       9.47228813      -9.48683167    
 O   0.645621777       12.6479998      -12.7089119    
 H    1.44893861       12.8820610      -13.1903801    
 H   0.913965046       12.5557327      -11.7825661    
 O    1.34196448       6.21481943      -12.1228504    
 H    1.12776208       5.34216642      -11.8036966    
 H   0.687103093       6.43189287      -12.8114424    
 O   -1.59687662       9.78887653      -10.6889124    
 H  -0.718605340       9.42047119      -10.8676834    
 H   -1.59873259       10.0188999      -9.74955368    
 O    2.61684155       10.1230478      -12.7361431    
 H    2.74279213       11.0581970      -12.9329567    
 H    2.78098845       9.64337063      -13.5586138    
 O    4.86561441       9.15465832      -11.4444904    
 H    4.02533817       9.48354340      -11.7970934    
 H    5.54128599       9.66288757      -11.9174337    
 O    3.25958800       12.7072916      -13.7226210    
 H    3.94649625       13.0656929      -13.1443586    
 H    3.72693324       12.2482567      -14.4324284    
 O   -1.85186219       12.5388098      -11.3915081    
 H   -1.12043846       12.7120647      -11.9984121    
 H   -1.81961513       11.5898170      -11.2084875    
 O    3.32403517       8.80772209      -15.1265554    
 H    3.56321764       8.06130314      -14.5551062    
 H    2.44163275       8.66190720      -15.4910641    
 O   -1.06172764       13.4327555      -8.94640446    
 H   -1.44679821       13.2023478      -9.81132317    
 H   -1.49976420       14.2257080      -8.65073395    
 O    4.47663975       9.94093323      -8.85201645    
 H    4.66837597       9.58935165      -9.73841286    
 H    5.14651203       9.59477520      -8.26792908    
 O    5.38092756       13.4410505      -12.0284538    
 H    5.84958029       14.2567730      -11.8757582    
 H    4.98105764       13.1824799      -11.1779137    
 O   -2.40264559       8.96201420      -13.1390305    
 H   -3.34303880       9.04054928      -13.2788420    
 H   -2.23777127       9.21279526      -12.2141275    
 O    6.33273172       10.9129782      -12.9847012    
 H    6.13713694       11.7875013      -12.6244678    
 H    5.93508434       10.9104128      -13.8634148    
 O   0.934687972       8.77290058      -11.0710793    
 H    1.44827759       9.30853748      -11.6941109    
 H    1.06302392       7.85019302      -11.3194084    
 O    1.38057399       12.5065489      -9.98871136    
 H    1.44263804       11.6377516      -9.56672668    
 H   0.636897802       12.9577990      -9.57008266    
          69
 Energy    -248.54539630077750     
  O     12.71437907      5.80189765    -11.71576867
  H     13.17425614      6.29144288    -11.01855906
  H     14.60257574      5.96062061    -15.22203690
  O     16.83440929     10.33872806    -12.55631611
  H     13.36642873      5.20039885    -12.09323815
  H     16.76717213      6.15145291    -14.70222878
  O     17.25307029      9.30532408    -15.07129257
  H     17.12713885     10.07253913    -13.43974255
  H     17.44570425      7.54475621    -14.53342890
  O     15.15247099     12.62050866    -12.71050528
  H     16.34654265     11.16701406    -12.64608401
  H     14.68262025      8.03152457    -11.70662228
  O     14.27883252      7.36303977    -10.03495663
  H     17.87491264      9.24320879    -15.81055862
  H     15.52282268      9.07327264    -12.51634845
  O     14.73683701      9.34818752    -16.34758932
  H     16.37176016      9.36833903    -15.46214935
  H     13.84083528     10.69686345     -9.78268391
  O     13.65835885     11.35296998    -14.83190346
  H     14.43439040     12.45765203    -12.07807484
  H     15.17118945     10.02144017     -9.36990834
  O     16.50221752      5.68549227    -17.70949688
  H     15.43735684     13.52176461    -12.57704970
  H     14.72063446      3.18569724    -12.88889281
  O     11.18818065      7.33751053    -13.32900343
  H     14.11338684      8.25232918     -9.68402238
  H     14.94097921      4.43475970    -13.76972101
  O     17.06965753      5.53584703    -11.83271393
  H     15.16295842      7.11075482     -9.74109846
  H     13.25803281      9.42379359    -12.63837820
  O     13.61172767      7.36581792    -14.78469737
  H     14.37019567     10.15155788    -15.95031916
  H     11.78093437      9.11386200    -12.91874731
  O     15.26218387      5.25635073    -15.31016517
  H     14.28455635      8.60828435    -15.91899419
  H     17.50072355      6.43202504     -8.84880219
  O     17.56940019      6.59624395    -14.39341850
  H     13.07281164     10.86675580    -14.23748886
  H     17.10397947      6.40263856    -10.34404064
  O     14.77723274      8.46276727    -12.56571702
  H     14.21655495     11.88759879    -14.25596331
  H     18.69257966      6.17296686    -15.75063730
  O     14.20740474      9.97872955     -9.26041211
  H     16.31247544      6.55778088    -18.07693762
  H     19.90035927      5.48507627    -16.42548477
  O     14.77506032      4.13818173    -12.85881968
  H     17.44142813      5.69468993    -17.48683372
  H     17.05707761      9.97418362    -10.72519578
  O     12.38818248      9.84102199    -12.74333913
  H     11.68200168      6.76485584    -12.71195634
  H     17.07487850      8.82334041     -9.69359037
  O     17.00997224      6.90538611     -9.51508279
  H     10.31686307      6.96164772    -13.41490963
  H     15.71650580      8.74046495    -19.36034832
  O     19.13422993      6.02430757    -16.60360679
  H     17.37542135      5.94591839    -12.65189842
  H     15.55616217      8.78368662    -17.82479708
  O     16.92222133      9.77151199     -9.79033837
  H     16.29543973      5.01347569    -12.07237887
  H     18.98141792      7.85048361    -17.21182377
  O     16.07625490      8.39390756    -18.54757735
  H     12.69446225      7.30654384    -14.49590642
  H     17.87505975      8.67145109    -17.89829815
  O     18.67317125      8.75331543    -17.36011377
  H     14.10937304      7.68685246    -14.01411329
  H     12.65244209     11.19583891    -11.63449875
  O     12.99734627     11.92378117    -11.08855265
  H     15.61227808      5.29057138    -16.21232379
  H     12.24159707     12.36886547    -10.71278587
          69
 Energy    -248.54526262932825     
  O     13.91999836     12.18863736    -14.84974685
  H     14.72362578     12.44177586    -14.38200221
  H     15.29129230      6.32528262    -15.56530735
  O     15.02031816      6.51924562    -13.75679933
  H     14.19230566     11.59683209    -15.56590422
  H     20.14944598      6.82819251    -12.93891203
  O     16.49740697      8.97188620    -10.12218959
  H     14.17379848      6.69636193    -13.32460311
  H     19.02875046      7.73233930    -13.50452133
  O     18.50398179     11.21948854    -13.49190720
  H     15.68085749      6.45841592    -13.05194927
  H     15.30799330      9.51088104    -15.05814564
  O     13.06048702      7.96276492    -17.13904829
  H     15.88414238      8.74827920     -9.41262252
  H     15.38777806      8.24158737    -14.14219144
  O     12.20718025      9.34689526     -8.88814104
  H     16.04778465      9.59916290    -10.70784474
  H     10.92433459     11.63363156    -14.12612940
  O     12.76468519      7.27184306    -12.29395312
  H     18.58871886     10.49737118    -14.12287088
  H     12.46148928     11.49895912    -14.22462232
  O     15.27058883     10.60267402    -11.97053343
  H     18.71152917     10.82155493    -12.63267517
  H     11.74147545      9.25406416    -14.50557707
  O     17.78611287      7.43658928    -17.32680976
  H     12.59052918      8.04224636    -16.28864040
  H     12.05099977      7.84465946    -13.94986816
  O     14.26862994      6.09102449    -10.29402542
  H     12.40335876      7.75840095    -17.79868930
  H     18.21828449      9.51074161    -10.68127992
  O     18.33786009      8.67913515    -14.84613563
  H     12.29395733      9.63992945     -9.80997920
  H     19.25291271      8.86375085    -11.60816817
  O     15.40946913      6.47947745    -16.51283763
  H     11.28468129      9.13677525     -8.76498755
  H     16.67552066      7.43843895    -11.09897011
  O     19.32089430      7.24426279    -12.71577513
  H     13.16041591      6.77348241    -11.56315796
  H     17.68955628      6.65971723    -11.95429890
  O     15.68825356      9.15444303    -14.24516006
  H     12.71960523      8.19007893    -11.99669902
  H     14.63636568      8.00984978     -7.31428050
  O     11.65251734     11.05900041    -13.90599644
  H     15.57808058     11.48158545    -12.21835172
  H     13.71194425      8.56989486     -8.42053469
  O     11.85432789      8.33012147    -14.76060584
  H     15.41569956     10.05306461    -12.75769514
  H     17.74014297     10.55534150    -18.20925108
  O     19.00586233      9.70469243    -11.20618653
  H     18.23549417      6.75411950    -17.81744179
  H     17.30065499      9.10577879    -17.94981891
  O     16.78743998      6.62603369    -11.61497131
  H     16.92989247      7.06180044    -17.04704979
  H     13.56835695     10.25555185    -11.61352931
  O     14.55475263      8.11236775     -8.25900523
  H     15.15366888      6.04208153    -10.67573308
  H     12.17420247     10.40403102    -12.26275982
  O     16.97075180      9.99183677    -18.16093696
  H     14.34710322      6.67704215     -9.53152861
  H     16.60625270     13.69468656    -13.12447643
  O     12.63887817      9.99768414    -11.52118769
  H     17.42557654      8.87795458    -14.58226190
  H     17.11255079     12.27094716    -13.44324171
  O     16.30988607     12.81191950    -13.32921437
  H     18.27828550      8.25821508    -15.71102928
  H     15.45345853     10.19829198    -17.22251917
  O     14.68549642     10.19950611    -16.63391713
  H     14.60123709      6.91408942    -16.81060881
  H     14.09681967      9.48951097    -16.91891822
          69
 Energy    -248.54516563194170     
  O     12.40093297     11.81976044    -15.77980237
  H     13.08136385     12.07517135    -15.15077792
  H     18.28772862      9.23624059    -12.28977652
  O     15.50800401      7.57506197    -13.18721814
  H     11.72600455     11.37802360    -15.24192521
  H     17.80211827      9.84907289    -16.21758720
  O     16.10372024     11.70100746    -11.39114122
  H     15.34676415      8.29404525    -13.81850806
  H     16.71229484     10.23282641    -17.28390332
  O     16.80669641     12.69379671    -14.75958558
  H     16.01102651      7.96019783    -12.45614979
  H     14.26341646      9.15662170    -15.56690523
  O     13.01274413      8.19557205    -16.61239641
  H     15.52209918     11.76746881    -12.16125716
  H     15.68843356      9.81259540    -15.54422385
  O     12.90481939      7.77084870    -12.26121024
  H     16.96662145     12.03255520    -11.66876268
  H     10.84257639      9.48817345    -14.17118910
  O     14.31806650     11.76348243    -13.56418125
  H     16.94539325     12.00348898    -15.42481287
  H     11.24564296     10.55430832    -13.13979466
  O     16.79973568      6.68893500    -15.53245441
  H     15.89921503     12.59792424    -14.45162541
  H     14.76648969      9.42761911     -9.01940788
  O     13.00628497      6.89382428     -9.62092729
  H     13.69258676      7.63542672    -17.01164635
  H     14.44496421      7.92584774     -9.13002246
  O     18.92794772      8.57411845    -15.46420048
  H     12.86829585      8.94887078    -17.20182914
  H     11.88265685      7.79680603    -15.31691493
  O     15.19322134      6.85979465    -17.69301665
  H     12.31754862      7.63841040    -13.01501628
  H     10.62483056      7.02534843    -14.85322997
  O     18.87256028      9.59302537    -12.97097755
  H     13.80917472      7.60407382    -12.56442110
  H     17.95322574     12.57918668    -13.46253851
  O     17.11333402     10.48825890    -16.43935954
  H     13.63224817     11.47417621    -12.94525982
  H     19.12395976     13.13230396    -12.61103056
  O     14.93392826      9.55134159    -14.99857720
  H     14.54882251     10.97056222    -14.07665603
  H     16.57625696      9.88776505    -11.28344031
  O     10.80646466     10.43482233    -13.99161894
  H     17.57902271      7.25861663    -15.52536932
  H     16.35545155      8.67588723    -10.36304540
  O     15.17306556      8.55374103     -9.02233223
  H     16.38619986      6.79562998    -14.66585590
  H     14.90216531     11.48171769    -10.05372454
  O     11.29007486      7.64384996    -14.56162866
  H     12.88362322      7.14595009    -10.54934550
  H     14.07736290     11.92768647     -8.82546648
  O     18.49438682     12.41895515    -12.66754429
  H     12.79364885      5.96494993     -9.57108782
  H     15.50990027      8.63957675    -18.36780954
  O     16.80971165      8.95721624    -11.17132707
  H     18.93352801      8.91341327    -14.55029256
  H     14.74062643      9.97631897    -18.46963055
  O     14.15482544     11.23937530     -9.48190916
  H     19.83417268      8.38330192    -15.69108976
  H     12.73533113      9.57481340    -11.87293621
  O     15.62037738      9.58409581    -18.53352591
  H     15.78424754      6.76807733    -16.92354268
  H     12.96181121     10.75611768    -10.89492294
  O     12.60033065     10.52671223    -11.75885639
  H     15.31224808      6.07774812    -18.22492683
  H     12.75990879     11.07108875    -17.29266311
  O     12.93231357     10.54354807    -18.09413045
  H     18.85592497     10.55125538    -12.86186374
  H     12.40152190     10.92342223    -18.78913426
          69
 Energy    -248.54508277934394     
  O     -1.01569922      2.68479038      2.57790243
  H     -0.57816778      3.52206504      2.77932291
  H      0.82806366      1.37692191      0.01133852
  O     -2.59602918      6.19041056      0.26969247
  H     -0.30773447      2.05295567      2.39949215
  H      0.70973300      4.66464218     -3.04256147
  O      2.74452884      6.48984545      0.37508444
  H     -2.17458969      6.69773292      0.97330955
  H     -0.61269784      3.95266996     -2.55825302
  O     -1.78939715      6.93887686     -2.33680465
  H     -2.25060686      6.51016020     -0.57426183
  H     -0.53460235      8.18975542     -2.23549756
  O      3.38522984      2.95903400     -1.23309627
  H      2.12322311      5.78847910      0.12553534
  H      0.04099250      9.56748414     -2.63517611
  O      0.74678419      4.59275326     -0.08686251
  H      3.09865894      6.21859078      1.22874687
  H     -4.02723316      4.20196727     -3.29163226
  O     -1.18437094      7.56228255      2.27863186
  H     -1.21642788      6.18454546     -2.55293793
  H     -4.48874094      3.11379122     -2.30985002
  O     -1.57636752      2.54766872     -1.90326538
  H     -2.64395709      6.76999334     -2.75249738
  H      3.44498967      2.88571521      0.61122446
  O      0.30303844      5.18499892      2.57416097
  H      3.22988112      3.60274047     -1.93160526
  H      3.29632035      3.58539366      1.99374285
  O     -2.65194169      3.41158301      0.51537381
  H      2.59902351      2.39222520     -1.24241357
  H     -4.40708777      6.06142389     -0.24873191
  O      0.74109345      8.45857381      0.64718360
  H      0.34542985      4.85033134     -0.92476068
  H     -5.37555124      4.91681915     -0.60356834
  O      0.90399032      1.80330984     -0.85120526
  H      0.98568429      3.66464556     -0.19999267
  H     -4.96986887      6.52247951     -3.87080612
  O     -0.18695883      4.80766679     -2.71390727
  H     -1.47659857      8.24246266      2.87872630
  H     -4.72607718      6.10563923     -2.40029470
  O      0.22623566      8.78380768     -2.12348259
  H     -0.49169499      7.95480867      1.71466276
  H      1.46763638      0.19354852      2.20422273
  O     -3.95395366      3.26009331     -3.10110811
  H     -1.87657733      2.81523780     -1.02174176
  H      1.93964108      1.61109395      1.80103222
  O      3.23204367      2.73669222      1.54454551
  H     -2.34683406      2.65980561     -2.47778117
  H      3.01023725      4.67602143     -4.20983803
  O     -5.21610961      5.85988572     -0.73881438
  H      0.38271596      4.96252508      1.63193413
  H      2.63459190      5.65236359     -3.06872055
  O     -4.31213309      6.16453146     -3.28036038
  H     -0.23532791      5.98373068      2.62103825
  H      2.07438812      5.24834429      2.92006223
  O      1.16262002      1.02346100      1.84783206
  H     -2.57740895      4.37506476      0.47487469
  H      3.32988584      5.43412320      3.80467130
  O      2.53086812      4.73778738     -3.38765992
  H     -2.13509901      3.10080913      1.27234647
  H     -5.65112847      2.33427493     -0.05966014
  O      3.04659589      5.26957194      2.90909406
  H      1.49144797      7.84998492      0.62544463
  H     -4.29513456      3.07720218     -0.06232909
  O     -5.16535666      3.02927248     -0.49557225
  H      0.55588007      8.68529426     -0.27186571
  H      1.87289085      7.78705537     -2.33038496
  O      2.65438120      7.22264298     -2.32326015
  H      0.02530809      1.86449815     -1.24658324
  H      2.86835055      7.06978372     -1.39220134
          69
 Energy    -248.54502918218242     
  O     12.92159616      9.49015560    -11.26786731
  H     13.66080447      8.96871133    -11.60968684
  H     14.54638358     15.14739365     -9.37530599
  O     12.83587790      6.77830033    -13.89344163
  H     13.28941758     10.06154430    -10.58282741
  H     10.42624461     12.69175007    -10.95629191
  O     14.25102412     10.92162545     -9.31334540
  H     12.73422220      6.38497017    -14.75648331
  H     11.77498726     13.08434461    -11.66463446
  O     14.70442558      6.35813850     -9.98640371
  H     12.37500783      7.63326484    -13.91879598
  H     10.81580343      8.08342679     -6.68716363
  O     13.73307526     15.65475342    -12.55105449
  H     14.25663458     10.11144272     -8.78257294
  H     10.95762095      9.26726350     -7.67439276
  O      9.43383866      9.20211050    -12.08608055
  H     13.65437729     11.56454109     -8.90753393
  H     10.00151998     11.02672226     -8.93249576
  O     13.22191678     12.98103850    -12.80304313
  H     15.18956877      5.60254211     -9.66435784
  H     11.16874503     11.58018147     -8.08626016
  O     15.83373314     14.87132772    -10.77838181
  H     13.88614282      6.01729054    -10.38998966
  H     13.10308065      8.34733399     -7.85183682
  O     10.97616755      7.78065778    -10.23746695
  H     13.03885854     15.96189045    -11.95425280
  H     14.24548228      7.74414508     -8.70734408
  O     11.68200145     16.02540120    -10.59856634
  H     14.51643331     15.52863293    -11.99857287
  H     15.17476931     11.73312088    -10.59177725
  O     14.95324756      7.87776986    -12.34913305
  H      9.81571596      8.58661402    -11.44355982
  H     15.73020815     11.57740411    -12.05087601
  O     13.79069097     15.24618245     -8.78298251
  H     10.05564456      9.23553287    -12.82300306
  H     12.20358664      9.95707242    -14.29430238
  O     11.14309869     13.33777890    -10.97760775
  H     13.35129547     13.93961005    -12.86993920
  H     12.08384354      9.47742363    -12.83495195
  O     11.22061598      8.34273168     -7.51013001
  H     13.96133524     12.64612730    -12.27689006
  H      9.21430310     10.65453672    -11.16544799
  O     10.51638039     10.86862492     -8.13303833
  H     15.79828694     13.92121557    -10.98322712
  H      8.19246961     11.63829607    -10.55577816
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  H     16.75706443     15.10109737    -10.71120370
  H     13.47250948     11.74551860    -15.73335257
  O     15.50243238     12.21933914    -11.36280576
  H     10.94862622      7.85617174     -9.27610085
  H     13.26102216     11.92452442    -14.21317764
  O     11.75037976      9.31591211    -13.73310851
  H     11.67024476      8.38926705    -10.53532545
  H     15.00795548     10.56882508    -14.00825277
  O      9.12567965     11.44681706    -10.60788056
  H     11.38183364     15.10941523    -10.72315455
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  O     13.36549621     11.26161502    -14.91833069
  H     10.89972163     16.55670545    -10.47468059
  H     12.48011848      5.88414790    -12.20883378
  O     15.72538378     10.38463896    -13.39209881
  H     14.35789825      7.39781123    -12.94013402
  H     11.78899080      6.27518067    -10.88935819
  O     12.41947419      5.64955376    -11.27561071
  H     15.04631231      7.34751036    -11.54663019
  H     11.98295201     12.98909128     -9.37581301
  O     12.44073435     12.86240535     -8.53266904
  H     13.10055437     15.66525589     -9.31216155
  H     12.96176030     13.66770017     -8.40637598
          69
 Energy    -248.54412107108300     
  O     -7.15623395     -3.21802693      5.32819936
  H     -7.93407737     -2.74575733      5.64781908
  H     -6.71647592     -0.98867651     -0.56841993
  O     -9.32369014     -2.88953059      1.51231897
  H     -6.39229638     -2.74389893      5.67888170
  H     -5.16216008      2.05022244      3.70227684
  O     -7.07301216     -4.13974671      2.78306637
  H     -8.61610955     -3.37620358      1.95133379
  H     -4.64899477      1.70092109      2.26636987
  O     -5.20542783      1.67819643      0.51432370
  H     -9.73496980     -2.34114015      2.19216725
  H     -6.70767426     -0.81703247      2.70705257
  O     -7.11365689      0.24823586      5.83559948
  H     -6.96918572     -5.08759955      2.79307609
  H     -7.20135657     -0.04269558      3.96837374
  O     -7.03235844      5.68269827      2.45574097
  H     -7.11676774     -3.85191156      3.71269665
  H     -4.52135582     -1.32325120      5.45125224
  O    -10.21183667      1.06773893     -0.08858852
  H     -5.16834560      0.82994895      0.06042973
  H     -4.37330189     -1.71326283      6.94339153
  O     -9.23762349     -1.42956504      6.18792765
  H     -6.15257611      1.82080800      0.68002472
  H     -2.13901783      4.16868960      3.21706615
  O     -3.84581891     -0.85309552      3.95757078
  H     -6.32333677     -0.25496052      6.07264809
  H     -3.42607401      3.31202906      3.19925029
  O     -5.00964992      4.50043162      1.03412601
  H     -6.86185907      1.16321378      5.64449880
  H     -8.26721880      4.31122746      2.97706847
  O     -9.98637278     -0.95107976      3.49636485
  H     -6.36657888      5.26260632      1.88288797
  H     -8.36216650      2.89462339      2.39617122
  O     -5.74184655     -0.94391481     -0.57791166
  H     -7.23326273      6.52827828      2.06268388
  H    -10.27547481      2.21865431      2.91404038
  O     -4.38153995      1.79423001      3.19199220
  H    -10.84778423      1.44447675     -0.69045976
  H    -10.66233984      0.71303435      2.95634831
  O     -7.36719956     -0.18978588      3.02954801
  H    -10.55196629      1.22434078      0.81063078
  H     -5.51491460     -1.73283875      1.07646190
  O     -5.01702898     -1.54456180      6.26141363
  H     -9.67685166     -1.31651048      7.02688675
  H     -5.97067288     -2.79849779      2.13988089
  O     -3.08754742      4.22166166      3.13565752
  H     -8.54585873     -0.74622179      6.13793564
  H     -8.74893919     -1.83414200      0.17566156
  O     -8.64353793      3.43874560      3.14882423
  H     -3.91083345      0.08407689      3.73212833
  H     -9.09003858     -0.46729533     -0.44543791
  O    -10.84926609      1.55439840      2.51650748
  H     -4.29100181     -1.32743988      3.24139561
  H     -5.90544402      5.47947321      4.01805682
  O     -5.47486504     -1.97950298      2.00943345
  H     -4.26445237      4.52628266      1.64804015
  H     -4.46695806      4.98872033      4.26129459
  O     -8.42767048     -1.16580881     -0.44823730
  H     -5.01945535      3.60430500      0.67725188
  H     -7.32282090      2.89281293      4.30858445
  O     -5.30755850      5.15689157      4.70509774
  H     -9.93551282     -1.18054809      4.43142848
  H     -6.07828377      3.54338022      4.96307962
  O     -6.52225572      2.69656797      4.81466513
  H     -9.07903258     -0.72635330      3.23642037
  H     -8.58312287      1.56253822      0.60361144
  O     -7.81508198      1.76545359      1.15084096
  H     -5.46275592     -1.30298445     -1.41600798
  H     -7.69577532      1.03031684      1.77415184
          69
 Energy    -248.54379128774005     
  O     14.50434299     12.51341068    -12.46543066
  H     15.30702243     11.97878670    -12.51284751
  H     13.85561827      6.63442501    -15.57209351
  O     18.50676027      9.42354909     -9.21854352
  H     14.35468018     12.67871770    -11.52658472
  H     11.81875521     10.48318941     -8.72274017
  O     17.07706724      6.80375777    -11.89305298
  H     17.67738561      9.91989958     -9.21438688
  H     11.61568540     10.90766002    -10.19191390
  O     14.64897688      4.29437015    -10.39829552
  H     18.74613339      9.31408266    -10.14615388
  H     18.29784072      8.10618104    -12.01267750
  O     18.31153224      7.01472244     -7.94609998
  H     16.78109450      6.71629037    -10.97702426
  H     19.63633249      8.69607909    -12.51219315
  O     16.60242871     10.65033056    -12.20671017
  H     16.69634417      6.05693820    -12.37925346
  H     16.84582168      6.49286230     -8.77148840
  O     14.14011699     12.72265249     -9.62476796
  H     14.82185778      3.47522665     -9.94124028
  H     15.42588990      7.07310055     -9.04822377
  O     10.35754254      7.32850279     -9.59996317
  H     15.17267612      4.98143009     -9.95091132
  H     10.56761146      9.53380332    -12.04476993
  O     15.94510290     10.58577029     -9.49041895
  H     18.44117583      7.89323669     -8.34399218
  H     11.55974514     10.63719658    -12.57726014
  O     13.31670839      8.30879524    -11.34391196
  H     18.86154608      6.99254220     -7.16839961
  H     11.96284341      6.42312707    -13.86862454
  O     12.30511428      5.77567198    -10.85165153
  H     17.46208188     10.21761028    -12.26799218
  H     11.48461423      5.90207158    -12.50845088
  O     13.72552080      6.60926647    -14.62634388
  H     16.35528496     10.61449728    -11.26990279
  H     10.02127420      7.44631453    -12.72949620
  O     11.92485272     11.22311702     -9.33052619
  H     13.32150993     12.21000209     -9.49242023
  H      8.57085789      7.97263438    -12.63157405
  O     18.84090521      8.91268911    -12.03267667
  H     14.03245957     13.54205151     -9.14984600
  H     11.17132014      8.30404475     -8.39611793
  O     16.04655630      6.37792750     -9.30667841
  H     10.97014456      6.64480335     -9.90646232
  H     11.24607797      8.74605309     -6.91783955
  O     11.28903349     10.12567820    -11.79992180
  H      9.91554212      7.64406356    -10.39550919
  H     15.11134834      4.58652430    -12.25426063
  O     11.16781568      6.27284987    -13.34458864
  H     15.40326126     11.38409619     -9.44687078
  H     14.81805352      5.30676549    -13.59614734
  O      9.44618423      8.08521317    -12.27138492
  H     15.39123813      9.85925583     -9.17354175
  H     13.11114636     11.96745074    -13.39111621
  O     11.68363494      8.83491930     -7.76021394
  H     13.97313433      8.40417570    -12.04333957
  H     12.13872380     12.20492854    -14.55887934
  O     15.51699049      4.89706120    -13.07381851
  H     12.61327489      8.95256116    -11.50469763
  H     13.95194773      8.43881526     -9.73145853
  O     12.32334266     11.61057902    -13.83706820
  H     12.69149607      6.64566813    -11.04377955
  H     13.48723950      8.55499708     -8.26947646
  O     14.27483892      8.45277156     -8.81518909
  H     13.03586975      5.18220770    -10.64859689
  H     15.63241264      9.33565257    -13.07782360
  O     15.29144359      8.45454280    -13.27787146
  H     14.24197592      7.34565427    -14.26072941
  H     15.89804773      7.84158728    -12.83751888
          69
 Energy    -248.54374215841892     
  O     -1.95217911      4.96543624      4.18338901
  H     -1.75244734      4.29796296      4.86518411
  H     -0.92181013     -3.23808157      3.08320309
  O     -2.82964529      3.39947905      1.98141078
  H     -2.31426022      5.72101975      4.63802255
  H     -0.14299751      2.55554059      2.89424865
  O     -1.11883849      3.10666363      5.98768391
  H     -2.15969206      2.72357468      2.16484358
  H     -0.87914557      1.30608928      3.47224732
  O      1.77542571     -3.48662893      1.28886654
  H     -2.71523608      4.05580698      2.67688968
  H     -3.08462312     -0.92108836      1.70250249
  O      0.16344764      0.49011436      0.43553120
  H     -1.19697175      2.16723735      5.77259236
  H     -4.18694908      0.05253175      2.16369291
  O     -1.98290335     -1.20255419      0.18689593
  H     -0.17130903      3.26615165      6.08150569
  H     -1.79028388     -0.17570448      5.08487898
  O     -4.84580748      1.53060474      1.33598069
  H      2.32203645     -3.96846668      1.90608458
  H     -0.25718605     -0.04024750      4.88682097
  O     -3.54748214      0.67625122     -1.11822614
  H      2.03066341     -2.55479790      1.38304654
  H     -1.21093127     -4.51852916      0.92129356
  O      0.57546149      2.82128288     -1.06809651
  H      0.36461122      1.18527697     -0.20127606
  H      0.02143387     -3.61337209      1.14743738
  O      2.23574437     -0.79940404      1.67836684
  H     -0.14709604      0.93653700      1.24106744
  H      2.07753910      2.66782433      5.50541993
  O     -3.02189974     -1.53333311      4.87975071
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  H      2.31259578      3.90324147      6.40610280
  O     -0.75897684     -3.01731414      4.00678575
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  H      4.74945456      1.64585852      2.03251181
  O     -0.67676589      1.78597244      2.65853689
  H     -4.55941998      1.30438869      0.44300963
  H      3.29522661      2.13236585      1.82612710
  O     -3.67666132     -0.72237026      2.43612292
  H     -4.27853601      2.26347343      1.61183668
  H      0.55949701     -1.82703031      4.26276145
  O     -1.06585729      0.46213548      5.05956169
  H     -3.03922689     -0.04753827     -0.71703676
  H      1.50142691     -0.96875430      3.38926629
  O     -0.95118656     -3.63253716      1.16285459
  H     -3.99762528      0.30547246     -1.87345766
  H      2.23047291      0.38624860      4.81234260
  O      1.69862928      3.52100759      5.78541859
  H     -0.37717368      2.99804622     -0.96090672
  H      3.16773998      1.30111660      3.99407626
  O      3.84107184      1.43124178      2.22651374
  H      0.79729876      3.05367029     -1.96554785
  H      1.07177616      4.06344569      4.13098197
  O      1.14736931     -1.05670756      4.28364340
  H      2.89970823     -0.11543854      1.82640715
  H     -0.20514573      4.64182489      3.47253857
  O      2.72182745      1.21675144      4.84586617
  H      1.52065594     -0.38171307      1.17510721
  H     -2.38006380      3.36629404      0.16519077
  O      0.64133120      4.22028636      3.27902787
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  O     -2.07962377      3.09871743     -0.71337400
  H     -3.80262551     -1.74592644      5.38230915
  H      1.72344870      3.79064350      1.84808787
  O      2.26576072      3.35534298      1.17636084
  H     -1.57621165     -2.62423847      4.34022650
  H      1.70767065      3.24664743      0.39756294
          69
 Energy    -248.54362913533538     
  O     -0.22294709      3.18138014      2.70184560
  H      0.46253582      2.51214259      2.81900714
  H     -1.33108505      7.90914833      1.59805910
  O     -3.05864999      5.06071241      0.19700512
  H     -0.96272514      2.79149941      2.21555669
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  O      3.96642048      7.48994687      0.34543845
  H     -2.28641240      5.37609538     -0.29820575
  H      1.13440181      1.19693357     -0.28542800
  O      1.76084388      7.32449949      2.05773766
  H     -3.07395413      5.59859591      0.99834458
  H     -1.82523008      3.63335935     -2.93070168
  O     -0.79589775      5.84491238     -1.11470493
  H      4.61957376      8.15490124      0.14419429
  H     -0.81797372      4.57299129     -2.27239163
  O      2.79028678      3.73840375     -0.76604234
  H      3.44565454      7.35509250     -0.46631131
  H     -0.30581992      8.58736728     -0.46523738
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  H      1.95566418      7.01755773      2.95311388
  H     -0.46217399      9.30431200     -1.83034423
  O     -2.60300947      6.71604337      2.44419118
  H      2.59112660      7.44815683      1.58014245
  H     -3.58860877      1.82540934     -1.54109376
  O     -0.51517957      1.63515593     -1.04337152
  H     -0.18000809      5.56168750     -0.42002512
  H     -2.40591101      0.88799207     -1.28154611
  O     -0.72294162      5.55608492      4.00241121
  H     -0.62885495      6.77525437     -1.30093373
  H      3.77020905      4.25012709      2.66737634
  O     -2.28712036      2.48647643      1.03881961
  H      2.13301608      4.16519496     -0.19378461
  H      2.88622310      3.12605821      3.26929078
  O     -0.62939468      8.44269009      1.20963754
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  H     -4.51912631      3.98992696     -2.58788494
  O      1.99725735      1.22511370      0.14822778
  H      0.52101965      4.35062999      1.49419264
  H     -3.62552499      4.17224240     -1.34725253
  O     -0.88078659      3.80935450     -2.87213206
  H      1.19460448      5.74529094      1.29778501
  H      2.20675620      0.65365438      3.24950728
  O     -0.10930443      8.52084841     -1.41874217
  H     -1.93629384      6.30618532      3.02516207
  H      2.02866427      1.32795437      1.86829434
  O     -3.34122817      1.01466393     -1.07819452
  H     -3.24265256      7.12781330      3.02015055
  H      0.85999469      4.31046795     -3.25895955
  O      3.23969541      4.00481576      3.44021593
  H     -0.51963801      2.32670105     -1.71609132
  H      2.11529799      4.47992257     -4.13586750
  O     -3.72147809      3.66989692     -2.17172617
  H     -1.00106103      1.99598404     -0.28911624
  H      2.47576816      5.32790086      4.19475031
  O      1.98081467      1.47900421      2.82984608
  H     -0.60219413      4.65798822      3.66005128
  H      2.46502926      6.32578803      5.37805640
  O      1.76243775      4.66480707     -3.26785794
  H      0.15122985      5.83544035      4.29478652
  H      4.49133117      5.72641989      0.91219472
  O      2.04364180      6.12937643      4.54643366
  H     -2.81836276      1.87423331      0.51228718
  H      4.11397155      4.33111369      0.41150404
  O      4.56246251      4.79103407      1.13403832
  H     -2.59349032      3.37739421      0.82164465
  H      2.14597452      6.37996049     -2.33725264
  O      2.37148532      7.17385033     -1.84107079
  H      0.20129526      8.12553875      1.59430379
  H      1.55892350      7.68899623     -1.75870683
          69
 Energy    -248.54361793175048     
  O     13.62339931      9.30816176    -16.77388359
  H     14.14058158      9.04594703    -17.55156707
  H     16.99551861      9.10269983    -16.33394479
  O     14.70994288      2.63102438    -15.77560175
  H     12.97095094      9.93437533    -17.08133444
  H     16.97158773      6.86145405    -16.16540607
  O     18.00670422      6.82161919    -12.13724887
  H     14.08824938      1.98515575    -16.10219715
  H     17.28521103      5.53276110    -15.39133779
  O     19.51832245      6.83785529    -16.86367395
  H     14.47870997      3.48047617    -16.19309871
  H     12.75983427      6.81063893    -14.63908812
  O     18.24772401      4.83258181    -18.53348325
  H     18.73566617      6.85714671    -12.76636637
  H     12.91330606      7.74227710    -15.87464818
  O     13.72069770      6.45267167    -10.11354876
  H     17.24262857      7.23775488    -12.56790898
  H     16.79280164      2.89663150     -8.91298424
  O     14.63172570      3.85041006    -13.20001172
  H     19.18691740      6.12991841    -17.42874839
  H     15.67687485      3.47964577     -9.81573185
  O     15.78464046      7.67478896    -13.47785481
  H     18.90976133      7.58035779    -16.99314633
  H     13.59546098      5.66910614    -16.41793570
  O     18.52323656      4.25138684    -14.67035054
  H     17.93498109      4.11181111    -17.95812134
  H     15.13058583      5.46859849    -16.34615013
  O     14.04338662      3.62064002    -10.43598733
  H     18.73538668      4.41825663    -19.24163943
  H     20.97580333      6.72756831    -14.04894976
  O     17.40752999      2.91845319    -16.80223123
  H     13.31667435      6.97599089     -9.42644350
  H     19.90375153      6.73164680    -15.15910910
  O     17.36423100      8.52548980    -17.01970648
  H     14.68369175      6.52378571     -9.98923178
  H     17.49242829      5.08082704    -12.17787142
  O     16.59070534      6.16148029    -15.61881590
  H     14.63520179      3.35692254    -14.02764111
  H     17.16040731      3.80865671    -11.35421796
  O     12.59259118      6.87888771    -15.58834553
  H     15.55490908      3.96219000    -12.93149459
  H     17.06758267      6.68109690    -10.44666463
  O     16.62319772      3.54349819     -9.59169532
  H     14.92467802      7.33486647    -13.20233274
  H     16.61654053      5.48369549     -9.58383678
  O     14.32009047      5.12035256    -16.75085558
  H     16.04219024      7.14131865    -14.24590504
  H     15.10123895      5.55008564    -18.37177724
  O     20.04812678      6.57222211    -14.20882254
  H     19.19342817      4.92468245    -14.50266870
  H     16.54330323      5.57889050    -18.93503873
  O     17.24981480      4.14554203    -12.25340573
  H     18.11603485      4.04763336    -13.81596730
  H     13.77943034      5.47245316    -13.07702083
  O     16.43357782      6.41323323     -9.77051520
  H     13.77405332      4.53010193    -10.25467770
  H     13.37042620      6.45423179    -11.95100124
  O     15.65659540      5.93673151    -19.06314204
  H     14.09595910      3.55101230    -11.39884156
  H     15.07633744      9.82828271    -15.61927393
  O     13.41417946      6.35457305    -12.91013171
  H     17.89238084      3.24553086    -16.02941220
  H     15.86690103      9.27360232    -14.42515289
  O     15.91478470      9.91404173    -15.14844450
  H     16.52253771      2.70620535    -16.48723046
  H     15.31756351      8.96124176    -19.81837630
  O     15.24995966      8.58109715    -18.94660261
  H     16.75864856      8.57871918    -17.76671224
  H     15.35560761      7.61748017    -19.05118037
          69
 Energy    -248.54346523466688     
  O     -2.55027890      4.07287242     -4.59056872
  H     -2.61065121      4.42233496     -3.68261659
  H     -4.19251055     -0.52698745     -1.91145155
  O      0.34972648      4.38865493      1.29642553
  H     -3.12440709      4.61027769     -5.12974323
  H     -0.06844352      2.96976005     -3.08257602
  O      1.30205006      1.88873778     -5.68782301
  H      0.79045952      4.48741045      2.14978460
  H     -0.86336842      1.65197150     -3.16233007
  O     -1.12209337     -1.04558560     -1.52982718
  H     -0.12056797      3.54270385      1.31883150
  H      1.31666027     -0.81762625     -3.83764396
  O      3.56082622      2.78446081      2.18326770
  H      0.64247042      1.24657038     -5.97653551
  H      0.02686563     -0.95522241     -4.65468932
  O      1.70414027      5.35461030     -2.32656695
  H      1.92546765      1.39223651     -5.14329940
  H      0.70405590      3.40914482     -4.97663693
  O      2.37367872      0.19150301      2.70192202
  H     -0.52709922     -0.84951181     -0.79785332
  H     -0.60404617      4.21289200     -4.67724745
  O      0.75989330     -0.08966270      0.40879114
  H     -0.56656800     -1.18005163     -2.31254397
  H     -0.53418870      7.04045059     -0.26149871
  O      2.02989774      1.38576827     -1.55293708
  H      3.28011249      1.86282967      2.23445828
  H     -0.23182205      5.56734196      0.08791979
  O     -2.64028129      4.91351260     -2.02563861
  H      3.43413833      3.07203098      1.26901340
  H      0.81881204      2.60614720      3.96428193
  O     -0.76315325     -0.04216592     -6.13852729
  H      1.32988479      5.02097008     -3.15257866
  H     -0.20044922      1.79408076      3.13750065
  O     -3.48300963      0.08734206     -2.07503135
  H      0.96185016      5.73291351     -1.83999544
  H      2.48579283      4.32867791     -1.06332326
  O     -0.35935153      2.21053864     -2.55918791
  H      1.69079682      0.67445509      3.20130715
  H      1.84343043      3.93278934      0.27430597
  O      0.43223804     -1.20141402     -3.81488108
  H      2.75186915     -0.44751360      3.30050250
  H      3.80218080      0.04137316     -3.89666651
  O      0.32875701      4.13283419     -4.44877446
  H      1.27886208      0.34747752     -0.28238363
  H      2.69521952      0.68162218     -3.02763271
  O     -0.49548170      6.16228762     -0.63382231
  H      1.33880272     -0.15914977      1.17776484
  H     -2.53906388      2.20834114     -4.43983958
  O      0.43922497      1.72498334      3.85988970
  H      2.35700609      2.17957639     -1.10898996
  H     -2.89251995      0.89091476     -3.65283752
  O      2.60782884      3.75604791     -0.29086661
  H      1.15927649      1.61746212     -1.91494491
  H     -1.69096966      2.39650814     -1.34194484
  O      2.88159728      0.29011058     -3.89803700
  H     -2.76303646      4.10958338     -1.50263967
  H     -3.01908342      1.64425570     -1.13061646
  O     -2.36995306      1.25855620     -4.37716648
  H     -1.93440747      5.40654021     -1.59006698
  H     -0.37040524      1.20996855      1.03441483
  O     -2.50596358      2.39741820     -0.81355853
  H     -1.41271968      0.40538486     -5.56825289
  H     -1.61913597      2.08203368      0.75027900
  O     -0.91253518      1.92831457      1.39064077
  H     -1.24237130     -0.38710161     -6.88699077
  H      2.52735217      3.75776326      3.20347073
  O      1.82227109      4.23724940      3.67641332
  H     -2.65108089     -0.37294052     -1.84883149
  H      2.25040786      4.80193184      4.31350016
          69
 Energy    -248.54327285878361     
  O     -3.57980894      0.59817209      1.13363506
  H     -3.95416534      1.41220608      0.80694844
  H     -1.72405181     -6.09416024     -0.70003935
  O     -2.08295764     -2.19987145      7.93852290
  H     -2.78644512      0.42304406      0.59740107
  H      3.11275978     -1.94266930      2.53862171
  O      1.51657577      0.46624959      2.69327926
  H     -2.77952816     -1.76548331      7.41334660
  H      4.44038420     -1.43639912      3.15519689
  O     -3.40442353     -0.54103590      3.69562262
  H     -2.09569760     -1.79751364      8.80234069
  H     -0.58860968     -1.81087034      2.74801555
  O      2.30290853     -3.44510303      4.97360519
  H      2.24044842     -0.06744721      3.04309263
  H      0.42649512     -2.64487533      1.92535688
  O     -2.99403944     -4.72917412      6.91733525
  H      0.73957805      0.24065801      3.22376175
  H     -1.51985406     -3.93999088      2.52330817
  O     -0.22023078     -2.62590704      5.90694631
  H     -3.49563472     -0.04075240      2.87478491
  H     -2.02335469     -5.20243700      1.80097420
  O      1.56159314     -5.77354595      3.81646722
  H     -3.70210540     -1.44198667      3.50128870
  H      1.90080787     -1.96123908      0.56738861
  O     -5.23861744     -3.75789028      5.74119522
  H      1.53280467     -3.05192194      5.40458059
  H      1.95652520     -3.51023746      0.94156940
  O     -1.45587420     -0.09907397     -0.42397786
  H      2.75405787     -2.73211392      4.50638621
  H     -3.61750894     -3.74806197      2.98383879
  O      1.27455358     -5.15254603      1.00433580
  H     -2.64216963     -3.97083951      7.40005511
  H     -4.74242220     -3.39579106      3.99849022
  O     -1.41380615     -5.54634717      0.01598779
  H     -2.27956337     -5.04236848      6.34726814
  H     -1.62444806     -0.47529697      4.01450674
  O      3.50208849     -1.49973848      3.31488236
  H     -0.75180028     -2.43178173      6.68908937
  H     -0.49112587     -1.24074768      4.76803931
  O     -0.51085479     -2.54042789      2.12069670
  H     -0.50516938     -3.49403138      5.58846776
  H      1.89002140      0.44609672     -0.44708295
  O     -2.11825522     -4.69991786      2.61743593
  H      1.89690246     -4.94545574      4.20664256
  H      1.38891223      0.13653887      0.98383863
  O      2.21441021     -2.61367051      1.20518677
  H      2.17912931     -6.45835060      4.06184872
  H     -1.46139507     -2.65829639      0.53967854
  O     -4.33501022     -3.12531234      3.16663664
  H     -4.46922099     -4.18331465      6.16059135
  H     -2.89875930     -2.68346282     -0.05629820
  O     -0.66600577     -0.58865835      4.07461734
  H     -6.01559189     -4.18565708      6.09055566
  H     -3.86759693     -0.80811593      5.51002951
  O      1.34341731     -0.15398393      0.05426099
  H     -1.63851187     -1.02455548     -0.62937992
  H     -4.59918374     -1.98846753      6.17994973
  O     -1.96922833     -2.87903554     -0.25608385
  H     -0.50461605     -0.05464761     -0.27021362
  H     -1.46769870     -5.11626763      4.22369353
  O     -4.05868961     -1.21062923      6.36689160
  H      0.40074170     -5.37810965      0.66603071
  H     -0.08757021     -5.54212382      4.73858640
  O     -0.94392961     -5.21037733      5.03316643
  H      1.30401074     -5.43683388      1.92704669
  H     -4.60518828     -2.48611906      1.42451698
  O     -4.47497527     -2.09505003      0.54988910
  H     -1.62481357     -4.62647308     -0.22267713
  H     -4.33961206     -1.15176873      0.70068993
          69
 Energy    -248.54316442149434     
  O     -3.50769938      5.01735249      4.01233495
  H     -2.70868309      4.71204654      4.47754451
  H     -2.27667470      6.53523044      0.51192921
  O     -5.54689468     -0.41848851      0.18211586
  H     -4.08945916      5.38111512      4.67483192
  H     -3.15191752     -0.06479970     -2.49696443
  O     -0.21773966      4.94543865     -1.23441931
  H     -5.51807832      0.39093050     -0.35960680
  H     -3.27583575      0.25269227     -4.00664084
  O     -3.69775693      3.94732836     -0.54071060
  H     -6.43561905     -0.75822459      0.12177041
  H     -0.69925738      1.86297728      3.58852070
  O      0.71790283     -0.46577050      2.62978818
  H     -0.64954629      4.18043826     -1.63690930
  H     -1.22473025      0.90473333      4.69826795
  O      2.13558743      1.83367094      1.25929259
  H     -0.93017961      5.55444846     -1.00880338
  H     -0.10553205      4.10441266      2.48209765
  O     -1.09756124      2.71195417      2.05669309
  H     -2.99363659      3.47253370     -1.00796092
  H      1.08917969      4.92631986      1.97204665
  O     -2.67820493     -0.13007947      4.77411977
  H     -3.43600492      4.87580834     -0.54558982
  H     -3.88624051      3.41095996      1.16348645
  O     -5.26972516      1.74933090     -1.43348550
  H      1.35754310      0.08990685      2.17273065
  H     -3.86711065      3.73752780      2.70424305
  O     -3.81530116      0.27214994      2.27327650
  H      0.40962263      0.05812906      3.37839199
  H     -0.93936063      3.27596799      5.09241642
  O     -1.50933807     -0.84116160      1.03336899
  H      2.18860625      2.69519425      0.82581818
  H     -0.46335029      4.60940900      4.49278316
  O     -2.50208358      6.49311824     -0.43475870
  H      2.21393827      2.03719652      2.20334183
  H     -2.15400257      2.01815160     -2.49539081
  O     -3.24720215      0.65752887     -3.14412541
  H     -2.05286674      2.83749315      2.00797397
  H     -1.10388367      2.13484812     -1.36104044
  O     -0.48395811      1.47860626      4.45422696
  H     -0.81029354      2.24782850      1.26178405
  H      1.68071910      3.53609631      3.65676795
  O      0.47920211      4.84628915      2.71637093
  H     -2.90663737     -0.98271998      5.13642276
  H      1.30709558      2.20730906      4.32314123
  O     -3.83978073      3.02682690      2.05150602
  H     -3.16427592     -0.05325757      3.93813426
  H     -2.46404434      6.06619076      2.80765798
  O     -1.12793424      4.22242597      5.07453508
  H     -4.90566399      2.59167009     -1.13513635
  H     -0.98391772      6.04055188      2.37091620
  O     -1.67523082      2.65308709     -1.94992122
  H     -4.67666196      1.43758665     -2.12937005
  H      0.69570881      1.34802337      0.24094934
  O      2.04157785      2.67813781      3.90879472
  H     -4.46849147     -0.05678099      1.64308623
  H     -0.60061744      0.46521947      0.17212772
  O     -1.83799569      6.44685324      2.18024352
  H     -3.87306838      1.23822684      2.23859489
  H     -4.01220121     -1.12516685     -0.74966837
  O     -0.18046887      1.27116588     -0.16061336
  H     -0.75670969     -0.88849626      1.64064157
  H     -2.49822624     -1.24658809     -0.50793491
  O     -3.16807326     -1.23728540     -1.20412807
  H     -2.25159748     -0.45609773      1.51831851
  H      2.69084535      5.03883116     -0.05901352
  O      1.96105465      4.56458951      0.33131678
  H     -2.72803519      7.37872280     -0.70578444
  H      1.19747262      4.69445911     -0.25969032
          69
 Energy    -248.54305786887568     
  O     -8.08176018     -2.94787962      5.61084118
  H     -7.50822850     -2.36923138      6.12498793
  H     -3.38353110      2.16789908      3.66962503
  O     -9.04147359     -3.05569427      1.35694225
  H     -8.90201679     -2.45310582      5.47167536
  H     -6.61362192     -0.93925238      2.93019950
  O     -7.36684667     -4.20110552      3.35346090
  H     -8.54780135     -3.46570163      2.07933881
  H     -7.12558836      0.36819599      2.23791859
  O     -4.47520611      0.98645908      0.91347257
  H     -9.59127307     -2.37068326      1.74775519
  H     -6.13425103     -0.99331491      7.80479142
  O     -8.05684404      0.78954444      5.39371556
  H     -7.62207029     -3.78953123      4.20004891
  H     -5.72875301     -0.92795679      6.31065140
  O     -5.74961356      5.48388047      1.51596435
  H     -7.35268156     -5.14338078      3.49785126
  H     -1.67465162      4.14784236      3.90494648
  O     -9.34729440      0.39591736     -0.34755262
  H     -4.42609708      0.07231763      0.61286626
  H     -3.20752735      4.36001375      3.83374026
  O    -10.17223907     -1.18236165      5.09832800
  H     -5.40026802      1.25447784      0.79433268
  H     -9.42949096      1.86360389      4.28032306
  O     -4.50647832     -0.89600202      5.10082720
  H     -7.77370704      0.42302318      4.53809528
  H     -9.30985540      2.79565403      3.06761138
  O     -3.73311675      3.73534899      0.94748350
  H     -7.58429607      0.27969769      6.06600838
  H    -10.13323717      0.52032294      2.61551287
  O     -4.80072088     -1.73818695      0.14910997
  H     -5.69827993      6.23820617      0.93509134
  H     -9.01048643     -0.51596786      2.49908871
  O     -4.03671985      1.45754026      3.64388815
  H     -5.05267269      4.86478091      1.23372525
  H     -5.98609519     -3.04761173      2.93514850
  O     -7.28540136     -0.24839957      2.96386702
  H    -10.10889845      0.58958837     -0.88836086
  H     -5.11153412     -2.22716818      1.92217220
  O     -6.48869274     -0.93945935      6.92170021
  H     -9.68361512      0.08235420      0.50725830
  H     -7.99175010     -1.02072644     -0.66709824
  O     -2.47459207      3.79871103      3.52238731
  H    -10.37576663     -1.02820548      4.17027114
  H     -7.94643712     -2.33628210      0.11035654
  O     -9.87452180      2.12038204      3.46493205
  H     -9.60848736     -0.44129355      5.35311820
  H     -5.11051856      5.44176754      3.35374524
  O     -9.94623879     -0.37152138      2.28124272
  H     -4.69751608     -1.49708856      4.36816974
  H     -5.30755415      4.47286158      4.53455509
  O     -5.38282777     -2.29760770      2.84572747
  H     -4.24627395     -0.06309170      4.68651053
  H     -6.85797478      2.22114724      5.08122335
  O     -7.42133414     -1.77101337     -0.47630225
  H     -3.16024374      3.77456337      1.72375561
  H     -5.51610764      2.30214868      4.30509334
  O     -4.72627978      5.16732118      4.19568245
  H     -3.89035817      2.79683310      0.78523164
  H     -7.38692455      2.38971991      1.34913631
  O     -6.25568655      2.83048802      4.64033599
  H     -4.31819962     -2.23419763     -0.50681247
  H     -7.87898901      1.30605686      0.33293496
  O     -7.12385943      1.60030337      0.85541894
  H     -5.73578605     -1.74099426     -0.12797903
  H     -7.23838788      3.44691467      3.25551246
  O     -7.72814031      3.74193323      2.47228279
  H     -4.16562148      1.22959655      2.71268938
  H     -7.19649772      4.44723134      2.08202410
          69
 Energy    -248.54289635358037     
  O     12.10807985      9.15184998    -14.36690423
  H     12.30090887     10.08667875    -14.22522889
  H     19.87351038      9.17599122    -14.26433060
  O     16.86487562     11.03949087    -10.46763586
  H     12.86617210      8.79738076    -14.84582198
  H     14.71949313     10.09761257    -16.02353814
  O     17.45705512     11.01825536    -14.91209010
  H     16.00392304     10.99968524    -10.90464807
  H     15.77145705     11.16607836    -15.65517210
  O     14.05842136      5.45262109    -15.52782261
  H     17.51492625     11.22787749    -11.15380854
  H     16.81678994      8.42072347    -13.03668180
  O     14.73273294      7.60385524     -8.36246721
  H     18.10836892     10.48757067    -15.39084633
  H     16.63081194      9.67829649    -13.93503312
  O     14.91418677      5.90063507    -11.61828627
  H     17.90005673     11.37785259    -14.13217069
  H     11.47299678      8.16605364    -13.10085369
  O     14.50032878     10.54031763    -11.89923842
  H     13.49350795      5.35506889    -14.73942145
  H     10.27304037      7.71092058    -12.23224903
  O     17.28258476      7.26964820    -16.08880594
  H     13.74434367      4.82818409    -16.17567627
  H     17.75173809      7.68223148     -9.34007783
  O     15.78024072      5.20647018     -9.04441470
  H     15.47543898      8.22100556     -8.33351712
  H     17.34653774      6.20770384     -9.52139051
  O     19.22825098      9.17228138    -16.08182085
  H     14.19840819      7.86063272     -9.12668098
  H     13.42584035      5.35815872    -12.58652052
  O     16.43101035      5.56574785    -13.92553249
  H     15.22176606      5.51530150    -10.78879117
  H     12.07238289      5.99949754    -12.94183358
  O     19.93445471      9.23783700    -13.30396904
  H     14.51691203      6.75311266    -11.39132829
  H     19.28328631     10.73427558    -12.71676637
  O     14.84799133     11.04810847    -15.91886172
  H     15.07755357      9.97355758    -12.43753382
  H     19.49052741     12.21171832    -12.30343912
  O     16.15584076      9.00477498    -13.42972934
  H     13.98223086     11.06935654    -12.51599020
  H     18.12049753      7.10277776    -11.54539526
  O     11.20948519      7.58848656    -12.36126086
  H     17.18526340      6.65565116    -15.35019106
  H     17.76662546      6.53314675    -12.96106334
  O     17.97876410      6.87333136     -9.81643095
  H     16.40585361      7.65209623    -16.20069750
  H     17.48979662      9.64759718     -7.73471329
  O     12.69070128      5.31092976    -13.21392061
  H     15.36191180      6.01844714     -8.70209632
  H     17.01175057      9.88946759     -9.18322389
  O     18.81933994     11.56760897    -12.51416271
  H     15.64998143      4.52817285     -8.38829456
  H     15.07080499      8.35636407    -14.74300521
  O     18.15252236      7.28446352    -12.49778704
  H     19.74947887      9.11257676    -16.87784159
  H     14.34367491      7.25984987    -15.59519106
  O     17.07446956      9.22023576     -8.47919742
  H     18.58387632      8.44328480    -16.11332179
  H     13.78265109      9.05881499    -11.13156555
  O     14.55838189      8.20187410    -15.55375224
  H     15.95826367      5.68332176    -13.08629065
  H     12.64990835      7.99881621    -11.23597657
  O     13.49766345      8.19001856    -10.81689999
  H     15.73833367      5.35345360    -14.56228824
  H     13.71430255     11.62653369    -14.72433641
  O     13.08241606     11.79986003    -14.00310653
  H     19.41491035      8.49472109    -12.96305297
  H     12.69982994     12.65650699    -14.17112837
          69
 Energy    -248.54251931072707     
  O     16.66635001      9.90790802    -11.27319440
  H     16.84943715     10.71626194    -10.77981364
  H     13.53748299      9.00891767     -6.81734275
  O     13.91913823      5.58152043     -7.93410969
  H     16.23540231      9.30160028    -10.64723426
  H     19.08251908      5.09260684    -11.54397087
  O     17.25675381     11.93060515     -9.41147955
  H     13.10908539      5.64660219     -8.45405946
  H     19.68553853      5.77128582    -12.78543653
  O     11.68171482      6.02969524     -9.63308142
  H     14.62188878      5.38570864     -8.56844086
  H     15.59379121      5.42580314    -10.89964810
  O     15.49941563      8.45430773    -13.29584727
  H     17.39130042     12.87375563     -9.38135729
  H     16.81564788      5.47909629     -9.93681202
  O     19.04209605      8.52511782    -10.85461536
  H     16.63276899     11.71327439     -8.69452715
  H     20.89639423      8.00050438    -13.44675012
  O     18.58375746      5.89406038     -9.92336925
  H     11.92782400      5.91420694    -10.56854562
  H     19.78554486      7.97878069    -12.37299390
  O     12.44430858      6.00998850    -12.22732644
  H     10.78881024      5.70812550     -9.54155001
  H     18.45314177      7.53673536    -14.28975681
  O     15.70554937     11.07599748     -7.38088465
  H     16.19428493      8.17134516    -13.90867837
  H     17.46454798      6.43627384    -14.70486422
  O     12.84909192      8.81696161    -12.67312375
  H     15.91573276      9.04930678    -12.65599581
  H     14.55310424      8.34585378     -9.56273392
  O     12.76214946      8.63191877     -9.82501490
  H     19.24361147      8.92382027     -9.99651190
  H     15.61337030      7.21629293     -9.71968019
  O     13.25407861      9.80079676     -7.29036210
  H     18.23649423      8.97067378    -11.15057402
  H     18.38134583      9.35885723     -7.86072800
  O     19.27850812      4.95079268    -12.47967057
  H     18.71884079      6.79117158    -10.25783543
  H     18.52281642     10.62302711     -8.72378314
  O     15.84939085      5.45177621     -9.96720865
  H     18.74108324      5.93209044     -8.96969714
  H     14.23087125      6.74434854     -6.68342823
  O     20.06032016      7.59869766    -13.22449202
  H     13.34719990      5.71965921    -12.41515795
  H     14.11218002      7.09436545     -5.18163380
  O     17.59364260      7.39278601    -14.70417657
  H     12.42257531      6.93972824    -12.48522891
  H     15.32028763      6.64692622    -12.82128490
  O     15.50166214      8.16336799     -9.56215406
  H     16.18087354     10.29638262     -7.07613678
  H     15.81399192      5.22687896    -13.20606640
  O     18.99633893      9.83328813     -8.43061973
  H     14.77549691     10.80646877     -7.37506945
  H     18.06109008      7.02617785     -7.09233772
  O     14.40884637      7.43640311     -6.02070148
  H     13.77194186      8.72344779    -12.96430485
  H     19.46288549      6.61801711     -6.61751560
  O     15.19287797      5.70518705    -12.64243362
  H     12.43652906      9.43399224    -13.27253065
  H     16.40060490      8.37099401     -8.02286597
  O     18.75691490      6.36298661     -7.20800461
  H     12.32100106      7.78237049     -9.69057503
  H     16.07152141      8.06556921     -6.55827603
  O     16.78363372      8.38282218     -7.13059019
  H     12.74210696      8.80826628    -10.77373217
  H     17.96734678      4.62435889    -13.56841378
  O     17.22283869      4.58264245    -14.19594805
  H     12.95111921      9.49880659     -8.15613519
  H     17.34478739      3.79540746    -14.71896244
          69
 Energy    -248.54228603305458     
  O     12.49462523     12.96918171    -14.44898275
  H     11.63155641     13.36400574    -14.54479606
  H     16.78785923     10.61993593    -14.65291248
  O     18.35382874      6.92046502    -14.35871737
  H     12.47742677     12.13567150    -14.94911980
  H     14.54822942      8.58730203    -18.34298882
  O     19.25992034     11.16690531    -12.25081661
  H     17.61902180      6.44809680    -13.94893585
  H     15.32664390      8.70803878    -19.67504240
  O     16.88942977     14.12482326    -13.84706685
  H     18.00387971      7.28521146    -15.18162830
  H     15.31180391     11.09805758    -12.80901699
  O     16.00766060      6.02498163    -12.94593212
  H     19.35160681     10.20834277    -12.26939014
  H     16.13880282      9.78001485    -12.58383583
  O     15.43996993      9.69622752     -9.44607164
  H     18.59937034     11.37189768    -11.57267979
  H     13.60725192     10.79920782    -16.23032885
  O     14.01039274     12.28780442    -12.16606733
  H     17.68233460     13.65279604    -14.12305704
  H     12.95450422     10.00284711    -15.04824178
  O     13.17755124      8.12969541    -17.34194088
  H     16.24371848     14.03994087    -14.56342721
  H     20.13072817      7.87982379    -11.92970855
  O     16.64267566      8.29361522    -11.51597424
  H     16.14024602      6.82180343    -12.40461139
  H     19.07434503      7.85578789    -13.05869785
  O     16.95733871      8.16858480    -16.48355003
  H     15.86358706      5.30200323    -12.34069482
  H     16.01112047     14.96174097    -10.97661450
  O     14.72698342      6.93477929    -15.27668074
  H     14.60949448      9.73163006     -9.95476854
  H     16.32847394     14.14073101    -12.25178978
  O     17.30440625     10.70012184    -15.47090844
  H     15.19828341      9.58230373     -8.53113968
  H     19.24870580     12.07269865    -13.69525344
  O     15.37559424      8.90855818    -18.74446206
  H     14.57255462     13.00720312    -11.85061046
  H     20.03280326     12.88707730    -14.75614543
  O     15.78924493     10.38375586    -13.25064733
  H     13.48926448     12.61038159    -12.91194516
  H     16.61875175     11.14858715    -10.00744603
  O     12.76585598     10.58737141    -15.79770731
  H     13.55525910      7.57611547    -16.64489030
  H     16.81189031     12.55093030    -10.63681841
  O     19.34245408      8.31566471    -12.24336538
  H     12.80662772      8.90314959    -16.90173355
  H     15.93994745     11.12265017    -16.54963660
  O     15.95002220     14.08872537    -11.35288349
  H     16.34626716      8.69652989    -10.68978743
  H     15.23857084     10.58905089    -17.81494507
  O     19.16801335     12.54863653    -14.54359120
  H     17.60527805      8.35836289    -11.57849662
  H     13.38202903     10.79163579    -11.32954187
  O     17.27136762     11.73399906    -10.40554267
  H     17.16484293      9.04496034    -16.12388820
  H     13.15026803      9.36406357    -11.83833782
  O     15.16014947     11.24409286    -17.11256627
  H     16.56856781      8.32365434    -17.35225244
  H     14.07566804     13.63269564    -15.34569285
  O     13.25063270      9.87935566    -11.02930928
  H     15.07538180      6.46318091    -14.50992154
  H     15.01110503     13.01191473    -16.39139042
  O     14.92913941     13.75243511    -15.77790053
  H     15.49029129      7.36715787    -15.68742356
  H     13.80272895      8.12895596    -14.21615736
  O     13.50792188      8.90209635    -13.71900662
  H     18.01397592     11.32673674    -15.29108038
  H     14.30965543      9.42782501    -13.57329515
          69
 Energy    -248.54206042062555     
  O     16.48223612     10.54868683    -17.01361837
  H     15.61877916     10.77925410    -16.65182534
  H     17.89761257      5.23266646    -10.77864908
  O     15.15728006      5.73581100    -12.96126224
  H     17.14578165     11.19143121    -16.72293541
  H     19.79348179      9.05920447    -17.03575538
  O     17.45447413     13.78511650    -11.29031799
  H     15.36420650      5.72818808    -13.90661917
  H     21.10391268      9.87947756    -17.07777933
  O     19.74930720      8.49028980    -14.17338820
  H     15.99264683      5.58668445    -12.50240235
  H     17.97087589      8.59094041    -14.69958235
  O     14.26710950      8.02424255    -17.03083580
  H     17.74604743     14.67751415    -11.12678222
  H     16.92646691      9.28498881    -15.63587991
  O     16.42924046     10.45488497     -9.00651760
  H     17.99231886     13.20161132    -10.72526269
  H     13.04315141     10.86324066    -16.34139234
  O     15.34181306      8.45892707    -12.77008428
  H     20.09980267      8.97751655    -14.92948524
  H     13.93413718      9.60394637    -16.28484400
  O     17.47062770     11.93610538    -13.41096518
  H     19.69009099      9.08948782    -13.41641675
  H     16.49778414      8.46463736    -11.43500380
  O     19.19915207      5.78731760    -13.97087754
  H     14.86571753      8.13238797    -17.78007970
  H     16.95482363      9.01681793    -10.05939060
  O     18.42438932      5.21800561    -16.49112899
  H     14.63532432      7.28358615    -16.53181510
  H     18.06965654     11.40487034     -9.40533187
  O     15.91792868      6.20927104    -15.64522906
  H     15.91266853     11.02277603     -9.60651632
  H     19.10490756     11.28885329    -10.53580379
  O     17.69619231      5.78540228    -11.53063574
  H     15.97494410     10.45760913     -8.16821663
  H     18.47845992      9.47286488    -11.60456170
  O     20.29738115      9.76001530    -16.58290844
  H     15.94159961      8.57252048    -13.52519153
  H     18.50866091     10.71352054    -12.54621340
  O     17.03128730      8.66142998    -14.90866748
  H     15.07135108      7.53015701    -12.77357468
  H     15.82581320     12.82566768    -10.91440199
  O     13.85975950     10.52654197    -15.98083596
  H     17.48900501     12.67765586    -12.79224950
  H     14.88773119     11.82549281    -11.61836210
  O     17.20843199      8.42141603    -10.77535097
  H     16.55510045     11.62791498    -13.44986946
  H     18.02905510      7.95309164    -18.19517098
  O     18.77521368     11.88841955     -9.85324312
  H     18.70512651      5.71388556    -13.14686452
  H     18.74718856      6.88468863    -17.34330443
  O     19.06847621     10.09990619    -12.04667380
  H     19.51659708      6.70125728    -14.00990556
  H     14.86431837     10.13769520    -13.03153157
  O     15.17747348     12.12978480    -10.74870822
  H     18.77977884      4.37848701    -16.76935487
  H     14.38792910     10.99079330    -14.21811742
  O     18.85351767      7.76119395    -17.73267896
  H     18.72706606      5.36136379    -15.57521004
  H     19.21347404     11.29987424    -16.12420534
  O     14.78822049     11.05340584    -13.34361825
  H     16.63763129      5.70271284    -16.03842849
  H     18.28836231     11.99939099    -15.07894958
  O     18.53836010     11.98078919    -16.01343729
  H     16.32047385      7.05493976    -15.39412218
  H     16.45574241      9.38640418    -18.29623591
  O     16.38974489      8.62354950    -18.90005519
  H     17.59441253      6.68748255    -11.18738139
  H     16.32248333      8.97750175    -19.78344456
          69
 Energy    -248.54201141811021     
  O     16.87967079      9.36686623    -15.75222564
  H     16.91521364     10.32616644    -15.83758809
  H     14.37411252     12.66314686    -12.33743793
  O     14.27308362      9.05298811     -9.29412156
  H     15.97436518      9.06701414    -15.92193853
  H     15.56550639      4.25584887    -14.03646061
  O     17.18483652     12.16797004    -15.43989566
  H     14.20526518      8.87695631     -8.36017838
  H     16.42183174      3.10989865    -13.44691868
  O     12.51850480     10.45067177    -11.06617129
  H     14.89090845      9.80116161     -9.39679079
  H     14.85630244      8.03357567    -10.74373836
  O     14.36799855      8.26750508    -16.03301779
  H     17.58663552     12.81485421    -16.01317148
  H     15.46438865      8.52345722    -12.08766597
  O     18.53292958      7.39550724    -14.90607485
  H     17.85175415     11.93178792    -14.76809918
  H     17.89825481      5.92250210    -15.89176158
  O     20.52770947      8.97010411    -13.92661791
  H     13.01465557      9.92232125    -10.42938016
  H     17.16895367      4.65679235    -15.41445369
  O     17.38534563      6.40468582    -12.55599767
  H     12.99798211     11.28336294    -11.15272513
  H     18.66294294      9.87423229    -10.98617114
  O     11.44323979      9.31347481    -13.26281417
  H     14.06309737      7.93969848    -15.17413561
  H     19.14361218     11.12896539    -10.22858969
  O     12.99030063     10.62664376    -15.28024274
  H     14.51707882      7.48777622    -16.58203036
  H     14.87596775      5.45170738    -18.15637732
  O     14.77474476     12.22035018    -13.97011094
  H     18.11351888      7.07954570    -14.09184442
  H     15.85580409      5.60232143    -16.96916773
  O     14.14754140     12.77913932    -11.39829214
  H     17.96756206      8.09173304    -15.27723310
  H     16.43667517      9.58683320    -13.89321813
  O     16.46260777      4.01568822    -13.74113424
  H     21.38961243      8.74887941    -14.26920053
  H     15.50031424     10.61086097    -13.24856555
  O     15.16140298      7.73223616    -11.60587705
  H     19.89301320      8.37295896    -14.35948362
  H     18.69321579     11.26428539    -12.67967414
  O     17.37277231      5.17424480    -16.20358611
  H     17.12543303      5.52774234    -12.86356380
  H     19.57290609     10.62513341    -13.76736156
  O     18.46403138     10.81237744    -10.81984493
  H     16.59458906      6.81023072    -12.17088833
  H     13.93778563      7.37688109    -12.88239272
  O     14.95845030      5.81839160    -17.28034436
  H     10.49488767      9.29997114    -13.16653394
  H     12.60111197      7.87702997    -13.49631738
  O     15.99102633      9.80230639    -13.06653881
  H     11.80190775      9.72842670    -12.45749897
  H     18.63981913      7.56111394    -11.72121629
  O     18.98851066     11.37250783    -13.59234792
  H     12.37750566     10.24043364    -14.64181176
  H     19.79166714      8.45732435    -12.22134075
  O     13.33105706      7.25994492    -13.62747228
  H     13.41867057      9.87704859    -15.71313846
  H     15.36783452     11.80031757    -10.31444400
  O     19.23017384      8.27784038    -11.45695109
  H     15.56546970     12.32140563    -14.51328476
  H     16.71959883     11.04881721    -10.19667500
  O     15.86103217     11.17305831     -9.77205588
  H     14.11434269     11.73175083    -14.48721666
  H     14.22643159      5.06348463    -15.64806663
  O     14.06634702      4.80734429    -14.73195888
  H     13.89320594     13.69154331    -11.28776313
  H     13.69526591      5.58975552    -14.30036067
          69
 Energy    -248.54186806832595     
  O     11.03066032      9.20427032    -15.37644029
  H     10.73545201      9.87301544    -14.74307285
  H     19.43709146      8.99826439    -15.81769217
  O     15.75510009      7.95811820    -11.46593312
  H     11.30761113      8.43546411    -14.86566511
  H     16.57866969     10.87515851    -10.55861407
  O     16.50245554     12.13524830    -14.16306377
  H     16.27634898      8.66688737    -11.07201412
  H     17.71970238     10.26371209     -9.71135498
  O     12.09174037     10.17944590    -17.62006754
  H     16.23421205      7.69131967    -12.25954341
  H     16.78690121     11.62984759    -17.24513577
  O     14.30072119     10.38594507    -14.03639202
  H     17.15083926     11.48549494    -13.85694695
  H     15.52542838     10.77209643    -16.99918015
  O     12.51286009     13.26032071    -13.49741519
  H     16.37569370     12.00761861    -15.11353800
  H     10.97563876     10.80810548    -12.72109788
  O     12.99708256      8.12787959    -11.57591678
  H     11.66935630      9.77011268    -16.84079451
  H     10.85102617     12.03521583    -13.60194352
  O     17.34891161      8.55803271    -18.19847311
  H     11.43415683     10.20786627    -18.30913704
  H     15.26633262     12.76094180    -11.21962963
  O     12.82701562     10.97941371    -11.78429046
  H     13.78216064     10.88668412    -14.68014600
  H     14.37825259     11.57207523    -10.83999002
  O     18.71912630      7.26653545    -16.24059952
  H     15.11572685     10.88797938    -13.91624315
  H     12.34079795      7.38328229    -12.98903098
  O     17.02001059      7.63887394    -14.02372951
  H     13.33117151     13.66039246    -13.17778594
  H     11.58648011      6.19721397    -13.63568619
  O     19.56472174      9.94017556    -15.64715246
  H     12.70603305     12.99002390    -14.40689885
  H     12.76288506     11.59434656    -16.59525504
  O     17.30113597     10.22252947    -10.56708292
  H     12.80957730      9.04796254    -11.36699473
  H     14.15800222     12.21378449    -16.34661671
  O     15.91380759     11.64364805    -16.83269969
  H     13.95734430      8.01843718    -11.48984064
  H     17.96130931     10.16034379    -12.29473072
  O     10.46892931     11.16125605    -13.46074650
  H     17.73586513      9.44087064    -18.23902916
  H     17.69714377      9.24607651    -13.51919199
  O     15.23659976     11.97527895    -10.66091137
  H     16.40106636      8.68779380    -18.06041579
  H     15.68467856     13.39180861    -13.23881575
  O     12.03615936      7.01292921    -13.83786827
  H     12.59307342     11.83953488    -12.15889470
  H     15.60819670     14.84317022    -12.70907094
  O     13.26190062     12.15714165    -15.98874280
  H     13.35692724     10.57044084    -12.48868056
  H     14.63301117      8.60749196    -16.62677428
  O     18.08673743     10.09150894    -13.24960522
  H     18.20702943      7.64936459    -16.97557005
  H     13.82531113      9.45454828    -17.63909810
  O     15.16738325     13.99761940    -12.67942559
  H     19.18870547      6.51545762    -16.59313215
  H     19.16169658     11.63630046    -18.30387832
  O     14.71791722      9.16560404    -17.41346544
  H     16.13026905      7.61655694    -14.40532012
  H     18.92240699     10.80511148    -17.02006625
  O     18.48719984     11.18285174    -17.80589300
  H     17.62758836      7.38688322    -14.72980864
  H     13.66101713      7.37495207    -14.69908676
  O     14.44763548      7.84572802    -14.99642015
  H     19.21153925     10.09354352    -14.76150470
  H     14.39562814      8.72775676    -14.59104157
          69
 Energy    -248.54172041801581     
  O     10.11474211     11.19340134    -11.65745736
  H      9.25040402     11.20791103    -11.25508171
  H     12.49766343     12.37357085     -9.68033823
  O     14.67950767     10.61203293    -12.58406825
  H     10.75961552     11.33498778    -10.94100849
  H     11.08404216     10.12988686    -18.71959774
  O     17.26044636     13.07292324    -13.70377710
  H     14.28226239      9.87309427    -12.10672068
  H     11.81259752     11.24153030    -17.94210742
  O     15.37209214      7.36936296    -13.20478324
  H     15.58019638     10.73878558    -12.25685627
  H     13.89792097     14.43994132    -15.19876232
  O     11.40180363     12.41717719    -13.82852851
  H     16.52221604     13.62190432    -13.98573644
  H     14.96257671     13.36871594    -15.46901807
  O     12.01352444     14.36919669    -15.69885132
  H     17.63892275     12.71661873    -14.51831809
  H     17.95894853     10.92589613    -15.91938669
  O     15.27780529     11.94599795    -16.55927621
  H     15.08085455      7.84645541    -13.98864207
  H     18.83135246     11.91661702    -16.73219012
  O     13.90582743      9.60943314     -8.97193676
  H     16.25515885      7.70690099    -13.00522267
  H     13.77871386     13.63139856    -10.86061176
  O     13.74105286     13.14615302    -12.53880217
  H     10.80760278     12.04567766    -13.16447728
  H     13.81278242     14.67578385     -9.71789638
  O     14.65527598      9.57016580    -15.11202976
  H     12.19575027     12.68478815    -13.34206097
  H     17.73598628      9.04756153    -14.52480629
  O     17.90254771      8.63696502    -12.69765274
  H     11.34000578     15.04248395    -15.75802609
  H     16.51872595      9.29087197    -15.43863741
  O     11.96695505     11.56838689     -9.71056150
  H     11.67610946     13.69189696    -15.08959226
  H     15.21265013     12.47072962     -9.55796800
  O     11.26591174     10.44403708    -17.83843988
  H     16.24256068     11.96688898    -16.59095950
  H     15.23448019     10.96318899     -9.27005667
  O     14.75516622     14.11956878    -14.89253444
  H     15.03212771     11.12128166    -16.12089656
  H     11.61535391     10.04137535    -16.14368227
  O     18.06387408     11.86215944    -16.16980811
  H     13.88748882      9.00611392     -8.23348599
  H     11.77630196     10.83038809    -14.81386704
  O     13.79823033     13.73876058     -9.89310973
  H     13.80935671      9.07009615     -9.77655429
  H     12.54190197     13.31344128    -17.22320899
  O     17.48243438      9.34429188    -15.40781101
  H     14.15196453     13.56647027    -13.30579173
  H     13.75568512     12.42829462    -17.55704493
  O     15.79934685     11.70633259     -9.51664840
  H     14.05678300     12.22847895    -12.51408689
  H     10.81992137      9.54976474    -12.34745876
  O     11.93247476      9.97353883    -15.23122484
  H     14.75145622      9.97289187    -14.23400188
  H     11.47520740      9.05548137    -13.65032700
  O     12.87006012     12.66810171    -17.86032022
  H     13.70351435      9.57183322    -15.28651292
  H     16.88987628     11.39790465    -10.90317353
  O     11.31553782      8.81508779    -12.72810586
  H     17.74908121      9.51433217    -12.30670308
  H     17.33314078     11.87504664    -12.34740819
  O     17.27270366     11.11571961    -11.74799246
  H     18.65488512      8.26272845    -12.24633285
  H     14.20337130      7.83839322    -11.90887807
  O     13.60454707      8.34338686    -11.34091988
  H     12.54817202     10.86555158     -9.39590988
  H     12.74853206      8.41317586    -11.79241449
          69
 Energy    -248.54171299258400     
  O     -2.76535958     -4.42160218     -1.98671353
  H     -3.12267670     -4.49927203     -2.87709742
  H      3.68046036     -2.48568749      0.18264151
  O      0.81204982     -5.91633240     -4.14722063
  H     -2.06208830     -5.07965854     -1.86826034
  H     -0.90754238     -1.95820772     -1.56439447
  O     -0.53814395     -5.94372829     -1.63003789
  H      1.00132776     -6.67003899     -4.69960789
  H     -1.57996160     -3.05081347     -2.40308063
  O      1.26346472      2.35464294     -2.30598213
  H      0.19819701     -5.34893486     -4.64734701
  H     -1.46074991      3.11793663     -4.15689977
  O     -0.03524659      1.83293633      0.26371183
  H     -0.06445152     -6.03659561     -2.46617906
  H     -1.53431547      1.96925055     -3.12342167
  O     -0.03818897     -1.77114379     -6.49310206
  H      0.05644547     -5.47025610     -1.03476821
  H      1.96788813     -0.25123892     -0.53160826
  O     -3.39009103     -1.27707042     -3.68975706
  H      0.82337306      2.35020217     -1.44797214
  H      2.20169710     -1.01417285      0.79372702
  O      1.26162777     -4.15128197     -0.30044640
  H      0.55481685      2.34298532     -2.96144439
  H      2.24239883      0.83987032     -2.32416579
  O      1.13795449     -1.71914690     -3.94444115
  H      0.58009381      1.09689100      0.41385988
  H      2.07568049     -0.59616076     -2.88503812
  O     -2.16912126      1.46414632     -1.60394643
  H      0.00869261      2.38448476      1.04130344
  H     -1.47259087      0.83226832     -5.08770797
  O     -0.52869530     -2.07371820      0.22611580
  H      0.25429547     -1.54148999     -7.37067391
  H     -2.47464392     -0.33431274     -5.02486807
  O      3.24831050     -2.58377485      1.05168787
  H     -0.68150330     -1.09057167     -6.22256278
  H      1.98893670     -3.16893002     -3.30399094
  O     -1.10471794     -2.21180040     -2.47532903
  H     -2.52720346     -1.49030633     -3.29818027
  H      1.98311679     -4.70976216     -3.32731621
  O     -1.09601541      2.26186479     -3.94416834
  H     -3.90416784     -0.90094205     -2.96620783
  H     -3.63964201     -2.92937458     -4.38014793
  O      1.65629601     -0.33259018      0.38364581
  H      1.92283769     -3.78018418      0.29555538
  H     -4.40915419     -4.02164564     -5.15674626
  O      2.55233693     -0.07181323     -2.22614555
  H      1.63209411     -4.06570988     -1.19170063
  H      3.80382575     -1.42417253     -1.77782214
  O     -1.78636254      0.06003358     -5.57545560
  H      0.89331655     -1.68652986     -4.87536932
  H      3.74176693     -2.94590850     -2.01297054
  O      2.36868454     -3.95003897     -2.87480372
  H      0.31865579     -1.88309190     -3.45074779
  H     -5.18416496     -0.10636268     -0.80606813
  O     -3.60875666     -3.85828830     -4.66405975
  H     -2.89116721      0.87165261     -1.36740572
  H     -4.01295534     -1.11375327     -0.73208734
  O      4.16750941     -2.26691260     -1.47281563
  H     -1.55640667      1.50429795     -0.86010056
  H     -0.61600575     -3.46791178     -5.88631354
  O     -4.35119587     -0.33417544     -1.20932526
  H      0.12833232     -1.38144443      0.36379083
  H     -1.83588441     -4.19009923     -5.27153884
  O     -0.90376647     -4.30035344     -5.49169856
  H     -0.02088956     -2.88623843      0.08365195
  H     -2.39607161     -2.33681549      0.28512956
  O     -3.30649024     -2.50505701      0.00771383
  H      3.93491856     -2.79032968      1.67969805
  H     -3.25264622     -3.24723864     -0.61057917
          69
 Energy    -248.54073858608291     
  O     -5.89105033      4.59434122      1.62383652
  H     -5.03219621      4.32486360      1.25247614
  H     -0.31483731     -1.38038153      2.99291272
  O      1.27844787      2.90552072      2.13993555
  H     -6.10454812      5.43862453      1.23522005
  H      0.67736885      1.73068340     -0.53804478
  O     -2.22618522      1.11065202      4.20344713
  H      1.33821644      2.83164548      1.17100979
  H      1.07824876      2.96478534     -1.36603005
  O     -4.36724028     -0.60877734      0.01756620
  H      2.11432032      3.25359028      2.43930395
  H     -7.09481439      1.87184553      2.63536028
  O     -1.83856095     -1.81431033     -0.92143225
  H     -2.22895104      1.98132805      4.61691442
  H     -6.96384198      3.00304812      1.60619997
  O     -0.04266998      0.44864940      2.63041426
  H     -2.82076739      1.17103511      3.43785599
  H     -7.84791140     -0.26263226     -0.23749335
  O     -5.95459705     -1.28057226      5.04261858
  H     -5.32336505     -0.46457107     -0.00489352
  H     -7.21881256      0.68850852      0.80651723
  O     -6.64037084     -2.02304767      2.52695243
  H     -4.20822443     -1.30937613      0.66959521
  H     -3.25318464      3.09266683      0.04815425
  O     -5.02365773      3.98189946      4.29928941
  H     -2.74022400     -1.49529144     -0.80631518
  H     -2.68027243      3.90516102      1.27159916
  O     -0.49634574      0.45130395     -0.14843728
  H     -1.72634547     -2.54557886     -0.30018853
  H     -3.47513453      0.95175861     -0.86876469
  O     -3.94859308     -2.52683203      1.94853149
  H      0.52804821      1.22266190      2.55225630
  H     -2.00839739      1.36069492     -0.73021348
  O     -0.68720212     -2.25159442      3.18344511
  H     -0.77100495      0.71068733      3.21192025
  H     -2.84092608     -0.57222787      4.48880488
  O      1.26391235      2.50605955     -0.55064194
  H     -6.28894499     -1.57085502      4.17428974
  H     -4.07326030     -1.45903600      4.79251267
  O     -7.36958471      2.13959824      1.74741145
  H     -6.49773433     -1.70309054      5.70264854
  H     -0.43167421      3.76347487      2.31833883
  O     -7.10538684     -0.16585276      0.35319082
  H     -5.78110818     -2.37697935      2.25729058
  H     -1.59636998      4.08951062      3.28501672
  O     -3.48802919      3.67009643      0.78949832
  H     -6.90862979     -1.41663514      1.82746182
  H     -3.35592862      3.92088022      4.76018270
  O     -2.87696254      1.69626239     -0.99324046
  H     -5.43076228      3.10963688      4.39540401
  H     -2.25655189      4.30090724      5.77918920
  O     -3.17784804     -1.47845687      4.43292502
  H     -5.34337039      4.32366298      3.45633171
  H     -6.01846497      0.52968621      4.51439427
  O     -1.31534949      4.14488640      2.36331124
  H     -0.41528661      0.37415937      0.81118734
  H     -5.30247645      1.29172028      3.37007921
  O     -2.41431735      3.80214143      4.98241944
  H     -0.84464925     -0.38783794     -0.48138405
  H     -1.17912314     -4.63487635      1.13117183
  O     -5.98618534      1.37456635      4.05396480
  H     -3.23806877     -3.10410713      1.64414468
  H     -1.16467518     -3.26462836      1.85437510
  O     -1.58184979     -3.77119729      1.13336497
  H     -3.65365313     -2.14208529      2.78655040
  H     -3.82509087      2.12270338      1.71200718
  O     -3.97863558      1.26434527      2.12963678
  H     -1.43494817     -2.10062349      3.77435224
  H     -4.04541968      0.61828004      1.41913103
          69
 Energy    -248.54068809689795     
  O     -3.35821987      1.51399072      0.65295261
  H     -3.57758224      0.60368156      0.38180906
  H     -0.09532176     -6.01207260      1.01787476
  O     -3.24178024     -1.76445807      6.94112968
  H     -3.86092370      2.09611096      0.09030421
  H      0.02648732     -2.75386488      1.77216166
  O     -3.45345373      1.02821285      3.45026354
  H     -2.34770247     -1.75989794      6.57481217
  H     -0.99555494     -2.20400050      0.71770435
  O      1.80702765     -2.96311796      4.83416921
  H     -3.75254661     -1.10908045      6.44786857
  H     -2.04347204     -3.69577749      1.92239229
  O     -4.35474504     -4.13464420      6.26248217
  H     -3.55004245      1.28956601      2.52852705
  H     -3.53454647     -4.08839107      1.78866096
  O     -0.81922911     -2.17894624      5.52894693
  H     -2.59909845      0.57556581      3.50079523
  H      1.98074443     -3.08897438      1.23354960
  O      0.54990219     -5.56121049      4.75335328
  H      2.66869860     -2.65509794      5.10347762
  H      1.65790058     -4.36892774      2.07198430
  O     -5.45119976     -2.59704045      4.10147343
  H      1.82334223     -3.02060060      3.86375702
  H     -5.22479395     -2.88166599      2.41479463
  O     -0.56417842      1.15970042      1.08919495
  H     -4.76461916     -4.57984358      6.99866220
  H     -5.89271400     -3.44752307      1.14122095
  O      1.31002929     -6.19939611      2.24615753
  H     -3.97743858     -3.30424498      6.60783312
  H      1.43526727     -3.15320020     -0.94194947
  O      0.03807576     -4.24778424     -1.68307548
  H      0.12346560     -2.35685731      5.42548787
  H      1.67577232     -1.66438372     -0.61007948
  O     -0.78651783     -5.76378006      0.39158035
  H     -1.27239300     -2.97207428      5.20671295
  H     -0.94653976     -0.82070934      4.26926028
  O     -0.86990321     -2.41512970      1.65127520
  H     -0.38834085     -5.33200488      4.81778401
  H     -1.06364813     -1.03447271      2.75934968
  O     -2.66440670     -4.43623623      2.01746332
  H      1.03421604     -4.75391743      4.96255413
  H      0.32001870      0.41838026     -0.19202210
  O      1.72744338     -3.40628870      2.11387980
  H     -5.16783718     -3.21392404      4.78595332
  H      1.08417377      0.63535781     -1.51796876
  O     -5.06938284     -3.10398907      1.47891298
  H     -5.34168888     -1.71642597      4.48213628
  H     -0.69893373     -1.21348335     -1.17591178
  O      2.01148646     -2.55511313     -0.44898422
  H     -1.48597687      1.37947540      0.90180164
  H     -0.97030136     -2.72764647     -1.40169781
  O     -1.04183918     -0.34204044      3.43749883
  H     -0.56400808      0.77700247      1.97548876
  H     -4.42723238      0.34612994      4.66328056
  O      0.72335132     -0.04093842     -0.95116199
  H      1.92322674     -6.92934735      2.25531763
  H     -5.54076945      0.53201032      5.72074203
  O     -1.36367981     -1.90832173     -1.07363992
  H      1.01305697     -6.07002109      3.16513972
  H     -2.33250220     -4.59970633      3.79135378
  O     -4.93562863     -0.10944574      5.35904393
  H      0.09417063     -4.79461452     -2.46177458
  H     -2.85880479     -4.56940991      5.25715601
  O     -2.05824266     -4.58211684      4.71890202
  H     -0.26553619     -4.82340193     -0.95772978
  H     -4.24417315     -1.72736510      0.45047657
  O     -3.84554837     -1.03168051     -0.08458667
  H     -1.52480360     -5.43422117      0.92068906
  H     -3.05956618     -1.40603665     -0.50437741
          69
 Energy    -248.54016120870489     
  O     13.70822867     12.50400364     -8.44185499
  H     14.40888277     13.01787422     -8.88394932
  H     11.82641362     13.67738147    -13.60453533
  O     11.67282490     10.70178442    -15.13440216
  H     13.77637380     12.68818981     -7.50910774
  H     13.54931006     14.74396404    -11.98005079
  O     14.38015629      9.95908155     -9.62555905
  H     11.50672029     11.61443450    -14.86483980
  H     12.58564951     13.57481589    -11.52589656
  O     18.67669934     13.13543400    -13.53267362
  H     12.39584526     10.73694136    -15.77937991
  H     11.98933449     14.06627726    -15.66415878
  O     11.72909680     12.39863601    -10.41009731
  H     13.54606547      9.72554674    -10.05291181
  H     12.16931784     14.31455351    -17.16964279
  O     12.03827347      9.75914903    -11.19222589
  H     14.20682959     10.77822797     -9.14784052
  H     15.58949521     12.22917068    -12.61762502
  O     13.64099747      9.77908950    -13.39450054
  H     18.34673522     12.71402466    -14.34744031
  H     14.17213538     12.84543204    -12.82867135
  O     14.98854117     15.87455560    -11.66766200
  H     19.60465675     13.30637765    -13.66776843
  H     16.79334470     12.64479550    -15.90879150
  O      9.90037895      9.93987731    -12.95360736
  H     11.84132440     11.47907632    -10.69816320
  H     17.28109769     11.18431137    -15.86745735
  O     15.13880719     13.49345144    -15.63383150
  H     12.28721905     12.50225666     -9.62914594
  H     15.92283284      9.62288614    -10.37313794
  O     14.01312919     10.93456839    -16.62428074
  H     11.18947987      9.65181507    -11.64258107
  H     17.29308617      8.92795420    -10.21162958
  O     11.13834494     13.36089363    -14.21094099
  H     12.69319292      9.70883673    -11.90605917
  H     16.46252233      8.85522166    -12.58845278
  O     12.95884055     14.04471743    -12.28485897
  H     12.93045170      9.93634466    -14.02897266
  H     15.18667820      8.86123999    -13.44166636
  O     12.62580710     14.36286565    -16.33244218
  H     14.12110880     10.61947060    -13.33209809
  H     16.75623876      8.78578949    -16.54507762
  O     14.82072929     12.23332628    -13.20174780
  H     15.00103870     16.82528262    -11.59778720
  H     16.40342648      9.17724801    -15.09326815
  O     17.57602332     12.09768358    -15.76134233
  H     15.58013438     15.64072108    -12.40548174
  H     17.71453089     12.42369563    -12.13354558
  O     16.79254597      9.49425750    -10.79342968
  H     10.38258471     10.05461513    -13.78268272
  H     17.09658978     11.24434725    -11.28794362
  O     16.12923501      8.63409475    -13.46400299
  H      9.58541948     10.81806297    -12.70939710
  H     10.17215509     12.62898585    -11.37940406
  O     16.46073895      9.51410462    -16.00458273
  H     15.00284300     13.00077316    -14.80733527
  H      8.67951437     12.97426434    -11.56345057
  O     17.02610103     12.18445717    -11.49952839
  H     14.29692091     13.89545615    -15.89150208
  H     17.35274943     14.56603558    -13.61777771
  O      9.44987958     12.65520402    -12.02756162
  H     14.76961943     10.36275125    -16.44396907
  H     16.09281214     14.73865948    -14.48134947
  O     16.57641061     15.12457065    -13.74072193
  H     14.34219646     11.82935949    -16.49312037
  H     15.44688692     14.62339682    -10.32185663
  O     15.61492195     13.84638162     -9.77696033
  H     10.37935234     13.18350299    -13.64450687
  H     16.18176562     13.26859708    -10.30740742
          69
 Energy    -248.54008004782321     
  O     12.44144806     11.79251670    -14.81178537
  H     12.71886629     11.02493276    -15.33086421
  H     13.52869317      6.37411765    -16.14704149
  O     15.17941616      6.55740268    -13.48084255
  H     11.94638074     11.44508884    -14.06084311
  H     18.75720337      7.18356621    -14.09336590
  O     17.34651984     10.62266584    -10.87274855
  H     15.86921996      6.13811460    -12.95630639
  H     18.99834957      8.04592244    -12.83444548
  O     18.11947002     10.06327910    -14.99365421
  H     14.47598161      6.81247928    -12.86610570
  H     17.14286173     11.32182464    -15.95918225
  O     11.89051482      7.40182505    -15.97040371
  H     16.69940340     11.03840047    -11.45862699
  H     15.94727893     12.31087657    -15.88311896
  O     15.48070828      9.27991681     -9.29269413
  H     16.82404036     10.14272791    -10.21666971
  H     16.43339744      9.41736778    -14.56389027
  O     13.36891671      7.37524272    -11.56329637
  H     18.44273493      9.26020306    -15.42377359
  H     15.53031175      8.27400875    -13.99291094
  O     15.32197525     11.38999900    -12.62097957
  H     18.56379572     10.11589422    -14.13754119
  H     11.02913627      9.63292956    -12.88802349
  O     16.47207451      7.54438323    -17.32592565
  H     12.43348519      8.20305340    -16.07348834
  H     10.16399006     10.79037271    -12.33688587
  O     15.34467021      6.41986848     -9.77267655
  H     11.24698388      7.41293646    -16.67491620
  H     11.86143469      7.56732055    -12.68719563
  O     18.76888460      7.51820497    -15.96133691
  H     14.68224847      9.60474377     -9.72820588
  H     11.39854166      7.65946150    -14.16569235
  O     14.44531305      6.07784271    -16.13757579
  H     15.46952448      8.32223602     -9.39885736
  H     18.63506656     10.11611458    -11.84166451
  O     18.76100919      7.15747561    -13.12885354
  H     13.89258997      6.97097851    -10.86134255
  H     20.14863867     10.21911504    -12.14583636
  O     16.49541543     11.80258444    -16.49265369
  H     13.40395971      8.33240490    -11.41408319
  H     17.79014644      6.14723118    -12.16346478
  O     15.54226570      9.20152196    -14.26035029
  H     15.37484561     10.59276438    -13.17137823
  H     17.51968863      4.66931926    -11.80103909
  O     11.04625224     10.57108827    -12.62487182
  H     15.17628444     12.12609790    -13.22498729
  H     15.77698768     10.72331981    -17.63566462
  O     11.18883935      7.94548317    -13.26838634
  H     16.08871414      8.35516232    -17.67555555
  H     15.35762897     10.39226504    -19.08836175
  O     19.33311176      9.84506263    -12.46684489
  H     15.74185319      7.00711673    -16.98422347
  H     14.05364464     10.63734501    -11.57951213
  O     17.17042216      5.55155075    -11.70291408
  H     15.37905735      5.82882793     -9.02394552
  H     12.54003849     10.35869576    -11.48569385
  O     15.33448208     10.05909908    -18.19582162
  H     16.03332752      6.12908138    -10.39079870
  H     13.87653526     12.76215569    -14.75036541
  O     13.39063865     10.12206631    -11.09698319
  H     17.93617931      7.47163369    -16.46737134
  H     14.58023536     14.14068838    -14.70960635
  O     14.74442886     13.20182444    -14.68820624
  H     19.45534304      7.19294071    -16.53716710
  H     14.01593635      9.75287904    -16.94732372
  O     13.53438564      9.57605258    -16.12972290
  H     14.71548891      6.12292169    -15.20972228
  H     14.21038434      9.42626490    -15.45111726
          69
 Energy    -248.53995668045204     
  O     15.79449358      5.10349418    -12.19312474
  H     15.91705484      4.68424220    -13.05435212
  H     16.48893150      9.37420124    -16.25286570
  O     17.21720186     11.09548429    -13.89120769
  H     14.85164887      5.07677106    -11.98655087
  H     16.66138046      8.34304521    -12.31785677
  O     11.51204840      8.27221855    -16.12841090
  H     17.37509656     10.88939783    -14.81872584
  H     15.97810257      6.93651749    -12.49855797
  O     16.38889439      7.08339911     -8.57517594
  H     16.28395674     11.33992096    -13.87529197
  H     14.63254503      7.02537097     -9.26463554
  O     12.67623748      6.97820459    -13.88778497
  H     11.96357661      7.81679615    -16.84949208
  H     13.60018620      8.05000131     -9.76940744
  O     14.40053876     11.17138523    -14.63970229
  H     11.75058987      7.79238267    -15.32522278
  H     18.49738828      6.31337998    -11.09708801
  O     14.16049545      9.66680047    -18.20324970
  H     16.96318059      6.65579293     -9.23508589
  H     17.19799987      5.47370276    -11.06836802
  O     16.14895561      4.14297793    -14.79947574
  H     16.68370480      6.78270695     -7.71979568
  H     12.45110252      4.71536945    -11.21313154
  O     16.51191071      7.74934023    -15.47879052
  H     12.93729012      7.83607049    -13.51978834
  H     13.26102121      5.99312806    -10.88705852
  O     14.37437859      5.96220646    -15.86911501
  H     12.68509406      6.36151458    -13.14656636
  H     17.84562703     10.08021948    -12.53531517
  O     18.45176684      5.95444162    -14.61814474
  H     14.11659555     10.54065218    -13.96277961
  H     18.66710233      8.82473659    -12.05060645
  O     16.33405445     10.28873744    -16.53453782
  H     13.65633006     11.23558745    -15.25079725
  H     19.20008357      6.72359810    -13.22612267
  O     15.96390769      7.85882526    -12.77851181
  H     15.00570614      9.89777144    -17.79521918
  H     20.50617421      7.07992978    -12.48439716
  O     13.76521303      7.10377567     -9.68173974
  H     13.49762768     10.19248611    -17.73870315
  H     16.96169276      9.75927387    -10.29612908
  O     17.86007993      5.89863605    -10.50488732
  H     16.07952888      3.29263706    -15.22605301
  H     16.40478236      8.87810987     -9.15905742
  O     13.05164511      5.35181198    -11.59187488
  H     15.51392830      4.73039639    -15.24333862
  H     13.02121590      6.84837174    -19.01317164
  O     17.99476829      9.46824382    -11.79715487
  H     15.79460229      7.17172941    -15.76647416
  H     13.62978970      8.02183015    -18.20987614
  O     19.55812833      7.17859931    -12.44403659
  H     16.35593293      7.89718599    -14.53347454
  H     14.61265791      9.95563808     -9.87516085
  O     16.30214713      9.73617748     -9.58997089
  H     14.00142348      6.25675716    -16.71031723
  H     13.27331547     10.63256878     -9.49398675
  O     13.24711136      7.12857377    -18.13056765
  H     13.79524890      6.29710328    -15.16898334
  H     11.91623208      9.98687840    -16.28351541
  O     13.64971348      9.94031474    -10.02987088
  H     17.93672089      6.65065066    -15.05092634
  H     11.46973235     11.41899501    -16.65731424
  O     12.23777048     10.88785354    -16.46421210
  H     17.87417168      5.18554555    -14.64748259
  H     13.53317569      9.59228375    -11.83665190
  O     13.66839640      9.28158033    -12.73974168
  H     15.67109745     10.63585785    -15.91856186
  H     14.50040919      8.77930315    -12.73339311
          69
 Ord_Energy   -248.539703    
 O   -5.24832535      -4.75258589       2.78983259    
 H   -4.31082630      -4.58024931       2.98936749    
 H   -5.46724272      -4.22714043       2.02485967    
 O   -7.27164173      -6.75205421       10.9975681    
 H   -7.80507231      -6.70806694       11.7862215    
 H   -7.76917601      -6.29614019       10.2935257    
 O   -3.43297458      -2.92833805       6.07204628    
 H   -3.72072029      -2.31935048       6.76203346    
 H   -4.19507170      -3.49549580       5.88163137    
 O   -2.57075882      -9.50180149       7.66036224    
 H   -3.35447979      -10.0236588       7.86631966    
 H   -2.69506431      -8.65619564       8.11240292    
 O   -6.74280596      -8.89213943       9.17644787    
 H   -6.86803865      -8.28352737       9.91248035    
 H   -7.14466429      -8.45995140       8.41111660    
 O   -3.25868654      -6.94255257       8.57517242    
 H   -2.69500232      -6.23513222       8.23137951    
 H   -3.88597989      -6.52124786       9.17793655    
 O   -1.34197879      -9.20801449       5.24151134    
 H   -1.75863338      -9.37513828       6.10597038    
 H  -0.553095877      -9.74197102       5.20941257    
 O   -4.77790594      -7.15478849       6.28806305    
 H   -4.28913260      -7.15943575       7.12388611    
 H   -4.88908386      -8.06674099       5.98859739    
 O   -5.02534056      -5.37655020       10.0052042    
 H   -5.70768881      -5.84949636       10.4956970    
 H   -5.48542404      -4.84378242       9.34058952    
 O   -7.56762695      -7.39960432       6.93171692    
 H   -6.63397217      -7.19862270       6.79033232    
 H   -7.86209965      -7.81568861       6.11184406    
 O   -5.42943192      -9.81591320       5.58862114    
 H   -5.41823673      -10.2617683       6.44408607    
 H   -6.34301376      -9.65425110       5.32285500    
 O   -2.90731025      -3.50654483       9.72470379    
 H   -2.34670997      -3.95656371       9.08108807    
 H   -3.55316305      -4.16273212       10.0198784    
 O   -6.32894468      -3.73140550       8.10941410    
 H   -6.19489336      -4.01002455       7.19234085    
 H   -5.81605434      -2.92327070       8.23042107    
 O   -3.69688034      -9.17133522       3.53029704    
 H   -2.82019663      -9.19783306       3.92631650    
 H   -4.27300882      -9.58958912       4.18716526    
 O   -4.40808821      -1.65612066       8.41574287    
 H   -3.83419776      -2.23294735       8.95196152    
 H   -4.37114859     -0.787638068       8.80666447    
 O   -2.12124157      -6.54714155       5.18567085    
 H   -3.04328752      -6.75129604       5.38278246    
 H   -1.67744780      -7.40306044       5.13204622    
 O   -5.61303282      -4.62330055       5.56951523    
 H   -5.67834568      -4.58578873       4.60746765    
 H   -5.31147099      -5.51842546       5.78145170    
 O   -5.09488249      -10.7816448       8.19167995    
 H   -5.66363144      -10.1227741       8.62974548    
 H   -5.24322605      -11.6122370       8.63535118    
 O   -1.85977888      -4.84254122       7.38517332    
 H   -2.35371041      -4.11209393       6.98548985    
 H   -1.69946778      -5.45017004       6.65045738    
 O   -8.38774204      -5.50966024       8.85912514    
 H   -7.83794832      -4.74878216       8.63012981    
 H   -8.27295971      -6.13747406       8.13256264    
 O   -7.80826998      -8.73397732       4.48628902    
 H   -8.48165703      -9.09237766       3.91529799    
 H   -7.17131424      -8.26797009       3.91201949    
 O   -2.71241856      -4.25978231       3.64040327    
 H   -2.36752796      -5.06877232       4.04240942    
 H   -2.77557087      -3.61975050       4.36026812    
 O   -5.89841270      -7.53735352       2.99950409    
 H   -5.06823635      -8.03430462       3.04428101    
 H   -5.66823196      -6.61268759       2.86237907    
          69
 Energy    -248.53957694021278     
  O     -6.80420278      2.56605018     -0.66259958
  H     -7.05670701      2.30653916      0.23160120
  H     -6.18484335     -1.11171080      0.66725119
  O     -3.91412949      3.55299956     -2.72465638
  H     -6.30079194      3.38356411     -0.56543054
  H     -3.67497592     -1.13362462      3.35649534
  O     -7.28025893      1.70001595      2.01878890
  H     -4.28089268      2.66130511     -2.71236096
  H     -4.11474637     -2.55532125      3.78984246
  O     -2.54063037     -1.98705924      0.69547055
  H     -2.99231558      3.47434926     -2.43910833
  H     -0.83397634      1.09544816      1.63133389
  O     -0.72947246      0.69349396     -2.14345271
  H     -6.93963281      0.79668487      1.89293311
  H     -1.68267943      2.37743150      1.89000016
  O     -5.09406923      0.96744351     -2.09108135
  H     -8.13373809      1.61687573      2.43703706
  H     -3.43435280      2.21059260      0.72684824
  O     -3.69635717     -3.00775455     -1.63637792
  H     -3.06529822     -2.14044725      1.49121565
  H     -3.77896481      3.72865842      0.53341043
  O     -2.98770792     -0.77089494     -2.95905468
  H     -2.94526168     -2.46294452     -0.04119008
  H      2.20389447      1.22339507      1.04751176
  O     -1.50228797      3.22698993     -1.36809968
  H     -1.05643609      1.57951628     -1.92678144
  H      1.37250351      0.02107752      0.58089228
  O     -0.47214622     -0.24410368      0.47666019
  H      0.21651354      0.78792098     -2.31242973
  H      0.67184925      2.53797809      2.12728376
  O      2.05587065      1.19670183     -2.10643763
  H     -5.82482141      1.50426891     -1.74561130
  H      1.90254204      3.30098859      2.66507416
  O     -6.08382863     -0.68199458      1.53139050
  H     -4.53768282      0.78918004     -1.31674467
  H     -3.69697764      1.08621920      3.73520319
  O     -4.08170405     -1.96398316      3.04311939
  H     -3.57764373     -3.79012472     -2.16781116
  H     -2.21724766      0.79627413      3.43167010
  O     -0.97699881      1.82742745      2.25231482
  H     -3.39630614     -2.25103640     -2.17412916
  H     -5.96206715     -0.80625515     -1.56703135
  O     -3.16510305      3.11549738      0.96080769
  H     -3.71019712     -0.13337330     -2.92251965
  H     -5.37613504     -2.19275366     -1.25623148
  O      2.24522001      0.43141470      0.49750411
  H     -2.17336049     -0.28674671     -2.76595062
  H     -4.62938641      0.26258995      0.79653147
  O      1.56601123      2.84243923      1.89939080
  H     -1.96953592      3.24913112     -0.52564164
  H     -3.23438644     -0.22309844      0.37349198
  O     -3.01980390      0.39430920      3.77890185
  H     -0.58844386      3.50407729     -1.20096994
  H     -4.59727364      4.41080761     -1.36872861
  O     -6.10871981     -1.60126136     -1.04233774
  H     -1.06494235     -0.99557727      0.61112809
  H     -5.06960678      5.66174974     -0.58449661
  O     -3.82476742      0.53793508      0.33723884
  H     -0.58589755      0.04602773     -0.43911391
  H     -5.69329289      2.29779772      2.90652128
  O     -4.92507152      4.72279627     -0.50512804
  H      2.22865405      0.86769005     -1.20610149
  H     -4.30168598      2.86759092      2.57380795
  O     -4.81455372      2.45059983      3.27467186
  H      2.83322766      1.00708289     -2.62458964
  H      1.54915685      2.91191166     -1.33616413
  O      1.13962301      3.62793971     -0.83493719
  H     -5.51297260     -1.22631858      2.08700859
  H      1.34592659      3.45671900      0.09234452
          69
 Energy    -248.53950878594685     
  O     17.76032353      8.53614892    -10.30685903
  H     17.13615026      9.24030603    -10.52246450
  H     18.08655322      8.09119335     -8.62624851
  O     13.75293803      9.59786451    -10.97337065
  H     17.41238444      7.69575510    -10.63238914
  H     20.15165755     10.46692504    -10.78854878
  O     19.97510269      4.12438079    -13.55336338
  H     12.85305027      9.89969827    -10.88419401
  H     19.20200425      9.25974550    -10.94886420
  O     21.51600908      7.42064793    -11.27343643
  H     13.99859555      9.19912930    -10.11795525
  H     20.60086076      5.92207729    -13.95834820
  O     14.58035460      8.61521493     -8.62105569
  H     20.41872854      3.35566340    -13.90229020
  H     21.27224655      7.03165053    -13.13513599
  O     22.37435852      7.17296355     -8.58609595
  H     19.10212255      4.16324961    -13.98110653
  H     16.75330325      3.96390748    -15.01950109
  O     15.88425245      6.16630342     -8.52350200
  H     21.96086923      7.35804105    -10.41985036
  H     17.21921812      5.30158024    -14.42044048
  O     20.10059028      5.75152046     -8.22967220
  H     21.06142934      8.27509721    -11.28667237
  H     15.34891573     10.49664674    -11.05401233
  O     17.03301909      5.98658284    -11.07906578
  H     14.90624877      7.70386882     -8.59945367
  H     16.51312879     10.85133961    -12.02180665
  O     16.48683730      9.89516690     -6.85718820
  H     15.12253316      9.10138590     -7.99107127
  H     17.61295731     10.01218627    -13.93687597
  O     17.48084936     11.61940545     -8.69913728
  H     21.61494150      6.59196317     -8.39450930
  H     16.99470151     11.29001854    -14.54298487
  O     18.21507534      7.85188782     -7.69337250
  H     23.13139116      6.79049594     -8.15102403
  H     19.88037075      8.84253743     -7.63834981
  O     19.95308315      9.71828771    -11.36126663
  H     16.18015077      5.95539107     -9.42055677
  H     21.36158687      8.67812794     -8.02965354
  O     20.84839427      6.85323228    -13.98555361
  H     16.66336116      6.50032478     -8.06807045
  H     14.36373319      8.89508902    -12.64817553
  O     17.52399756      4.42047208    -14.69250492
  H     19.40078586      6.35757302     -7.95685228
  H     15.35871957      9.42749059    -13.69954554
  O     16.27087472     10.78636900    -11.09010549
  H     19.86831839      5.42821294     -9.11054653
  H     19.58659103      8.14457306    -14.03896839
  O     16.87192172     10.63590532    -13.85939837
  H     17.94452494      5.66295693    -11.03277634
  H     19.29438824      9.22276960    -12.98060970
  O     20.69405535      9.33506454     -7.79755773
  H     16.85625692      6.18913872    -12.00660270
  H     20.91256775     12.24835580     -9.02961642
  O     14.78744014      8.67846446    -13.48764923
  H     16.84660227     10.55660924     -7.47576346
  H     20.48135558     10.79905284     -8.69370327
  O     18.92898709      8.80439300    -13.77356756
  H     16.26852733     10.35931299     -6.05359073
  H     16.02000603      7.41429108    -13.67227329
  O     20.29080473     11.56543638     -9.26593231
  H     17.04246307     11.47242243     -9.54834081
  H     17.57290444      7.50079133    -13.71706776
  O     16.83014203      6.88388631    -13.69970982
  H     18.42379283     11.68604623     -8.88923710
  H     20.29529972      6.04661678    -11.10466529
  O     19.70821202      5.28409013    -10.99926127
  H     17.64918706      8.45924109     -7.19937100
  H     19.81735200      4.75214296    -11.79739895
          69
 Energy    -248.53949240984193     
  O     15.28994224      6.20456074    -13.85779735
  H     14.73117138      6.25010750    -13.06900832
  H     17.12385758     11.67795110    -16.56026267
  O     18.12130589      9.57239759    -11.91668788
  H     16.20070026      6.38603721    -13.59193102
  H     15.06753320      7.97921968    -14.22551934
  O     18.57472971     10.78057354    -16.19546472
  H     17.23750052      9.95617868    -12.02962246
  H     14.25967221      9.15685194    -14.84700500
  O     11.65529114      6.94770919    -15.87619276
  H     18.18935175      9.29399705    -10.99515168
  H     11.28589110      8.84974734    -12.84818631
  O     15.32852145      8.34385750     -8.96891693
  H     18.29261035      9.85761348    -16.13096190
  H     10.62503739     10.21732280    -12.54326440
  O     13.66036637      6.62910098    -11.67741064
  H     18.93393733     11.01144305    -15.32999032
  H     17.92529375      6.84924427    -10.20670011
  O     15.65992080     10.65468627    -12.43436496
  H     11.03042783      6.57329767    -16.49101345
  H     17.83630600      6.25914782    -11.62806433
  O     15.68725170      7.76361866    -18.04640366
  H     12.52543162      6.56465562    -16.09000659
  H     12.02163580      6.77199569    -12.59276420
  O     15.21340204      5.55023066     -9.63304513
  H     14.69117422      8.77327422     -9.55374090
  H     11.37489012      6.92392623    -13.99776414
  O     17.38995702      8.27358098    -15.86520114
  H     15.17888941      7.39413562     -9.05632433
  H     20.08681851     11.83069112    -13.15750077
  O     14.12770368      6.03849554    -16.38749685
  H     13.70820044      7.57265324    -11.46544823
  H     18.96650187     10.79139240    -12.93807041
  O     16.28046342     12.15748643    -16.64930240
  H     14.08216039      6.15654456    -10.94888762
  H     18.00421015      7.97461809    -12.85747870
  O     15.09916667      8.92249779    -14.43315221
  H     15.90400480     11.50046090    -12.83502318
  H     17.92784589      7.37379613    -14.27143486
  O     11.45329854      9.80807185    -12.78063475
  H     15.45507993     10.04845504    -13.16494388
  H     18.43193290      8.74790971     -8.49062047
  O     17.66102583      6.06212921    -10.69991212
  H     15.80083657      7.68327536    -18.98958686
  H     17.04700421      8.55951181     -9.15520716
  O     11.25374241      7.12570024    -13.06139544
  H     15.23652401      8.61314596    -17.88946942
  H     13.70908039     10.08620627    -16.87273558
  O     19.27618296     11.49468047    -13.53185772
  H     15.22458957      4.74340585     -9.12574378
  H     15.02390020     10.84570342    -17.17655968
  O     17.89936020      7.13900805    -13.33445307
  H     16.09452613      5.64235604    -10.03834115
  H     12.88098655      9.60895418    -11.52405207
  O     18.00705776      8.55936324     -9.32280108
  H     16.64032118      8.63648509    -15.36778296
  H     14.39428660      9.89542108    -11.44687069
  O     14.45476100     10.12830693    -17.48376903
  H     17.00398707      7.96776416    -16.69470025
  H     16.44250951     12.63188645    -14.77844434
  O     13.68481871      9.36793864    -11.04890919
  H     14.60042380      5.95827283    -15.54718131
  H     17.59830807     12.49522158    -13.76912612
  O     16.67479958     12.76377729    -13.85077647
  H     14.68697199      6.55819784    -16.97707401
  H     12.18854183      8.71045981    -15.64505615
  O     12.56916370      9.57126254    -15.41988600
  H     16.43692293     12.87158569    -17.26320244
  H     12.18953635      9.82362028    -14.56939745
          69
 Ord_Energy   -248.539444    
 O   -3.74078393       2.57320690      0.811462820    
 H   -3.25910783       3.32467556      0.475196004    
 H   -4.46075630       2.39951587      0.178936273    
 O   -9.30726433       1.03344011      -1.49554992    
 H   -8.47865772      0.876793027      -1.96752119    
 H   -9.05843639       1.46141660     -0.666818321    
 O   -4.35913992      -3.78189564       1.52631319    
 H   -4.99972820      -3.58431864       2.22334599    
 H   -3.49167657      -3.50166583       1.85409117    
 O   -8.05049992       1.86975741      0.856897652    
 H   -7.74808693      0.946496785      0.842065454    
 H   -8.05996132       2.13127017       1.78312647    
 O   -3.82827735      -2.62659407       5.02947855    
 H   -4.65616417      -2.91944075       4.61328506    
 H   -3.74702048      -3.11170745       5.84698105    
 O   -8.69835091      -2.68062901     -0.189100504    
 H   -9.45742130      -2.28036237     -0.631326795    
 H   -8.08596992      -2.96812248     -0.882203102    
 O   -4.51820707      -1.37875593      0.154591039    
 H   -4.49519920      -2.25539446      0.560850084    
 H   -3.93556714     -0.813763022      0.679280639    
 O   -10.6144199      -1.31640613      -1.69406843    
 H   -10.2262878     -0.426513523      -1.60141611    
 H   -11.5535154      -1.19912934      -1.80426824    
 O   -7.69839954      -4.45760775       1.75165403    
 H   -7.15615606      -4.96264267       1.13623893    
 H   -8.20746326      -3.85559368       1.19151711    
 O   -7.70927286       2.28428078       3.65543509    
 H   -6.76563215       2.51191473       3.57006240    
 H   -8.08913231       2.90849495       4.26772833    
 O   -5.03323889       2.66499472       3.38776302    
 H   -4.61445284       2.72201896       2.52057433    
 H   -4.65148306       1.88962948       3.81930351    
 O   -7.01780272     -0.478497922       3.62348294    
 H   -7.40450144      0.387764722       3.79601526    
 H   -7.07101822     -0.603100538       2.66191339    
 O   -6.82326460      -3.50897956      -2.08365440    
 H   -6.44552755      -4.22412014      -1.55569458    
 H   -6.09990072      -2.90211487      -2.28952885    
 O   -4.35476971       4.06750515E-02   4.22724247    
 H   -4.05615711     -0.758703828       4.67501163    
 H   -5.28828430     -0.112866953       4.01637936    
 O   -8.55842018      -1.79184794      -3.66283250    
 H   -9.35483837      -1.71530974      -3.12292027    
 H   -8.05871773      -2.52797055      -3.28980780    
 O   -5.83458710       2.11537075     -0.837309539    
 H   -6.60878181       2.19877386     -0.263039052    
 H   -6.12699366       1.59612501      -1.59389699    
 O   -6.88928652      0.279003799      -2.82937574    
 H   -7.51627207     -0.327454150      -3.25277424    
 H   -6.08507156     -0.248254314      -2.75080776    
 O   -4.77534962      -1.58760071      -2.51962233    
 H   -3.93324590      -1.61837256      -2.96592522    
 H   -4.59374905      -1.46691918      -1.57126439    
 O   -7.11999083     -0.719216347      0.920686483    
 H   -6.23104668     -0.872065127      0.578220606    
 H   -7.70957804      -1.37937164      0.532832623    
 O   -2.92417264       9.75252986E-02   1.84067559    
 H   -3.40136862       9.41743925E-02   2.68378973    
 H   -3.05253339      0.976535738       1.46069336    
 O   -5.73978233      -5.36735249     -0.230223522    
 H   -5.15565395      -4.86265993      0.361136973    
 H   -5.36374044      -6.24101257     -0.306647062    
 O   -2.17866969      -2.58132076       2.65897131    
 H   -2.56779099      -2.58383584       3.54310751    
 H   -2.20432734      -1.66528022       2.35521698    
 O   -6.16626501      -3.16296816       3.62321520    
 H   -6.79323339      -3.67904449       3.09283233    
 H   -6.55039167      -2.28195357       3.72536945    
          69
 Energy    -248.53939307535185     
  O     12.81468558     10.04936842    -15.58832696
  H     13.37727838     10.83192281    -15.59251048
  H     16.44633638      5.70398967    -14.25246986
  O     16.48012621      6.71442762    -12.71618272
  H     13.30501052      9.36501455    -16.06241872
  H     19.70616785      8.71639391    -14.39142194
  O     17.17779062     11.07785488    -11.27630097
  H     17.14704166      7.20843672    -12.22068890
  H     21.01232545      8.53724949    -13.58715233
  O     17.25818372     10.98147098    -15.47066859
  H     15.65912408      6.75582926    -12.20506105
  H     16.12216844      8.13092150    -13.79699117
  O     13.47912006      5.51092577    -15.60265459
  H     16.36434574     11.13191984    -11.79792025
  H     15.29627194      8.57216802    -15.03869705
  O     13.57828363      9.58832070     -8.71163121
  H     17.89550645     11.34403862    -11.86956102
  H     11.81195859      9.54518004    -14.22648679
  O     14.12639662      7.07626903    -11.31314407
  H     16.50336235     11.55567246    -15.63259530
  H     10.36280822      9.42960727    -13.70462563
  O     14.93838244     11.02149896    -12.87102020
  H     16.88045252     10.18244587    -15.06784204
  H     16.85582028      8.98152884     -8.69623912
  O     17.07195815      6.98620633    -17.14827787
  H     13.04354863      5.85189324    -14.80040640
  H     17.58118545      8.03939174     -9.67476407
  O     14.63435831      6.89859736     -8.57210513
  H     12.91158335      4.83097278    -15.95492372
  H     12.92828368      6.60355247    -12.63760931
  O     18.95072716      8.80007284    -15.97499056
  H     14.41473721     10.07026608     -8.67555410
  H     11.90471412      7.42446294    -13.45022525
  O     16.30075397      5.34482961    -15.13899907
  H     13.80731877      8.66729870     -8.53592048
  H     18.44492414     11.44876465    -14.05547413
  O     20.09644618      8.78947669    -13.50262716
  H     13.86721780      8.00650617    -11.37724417
  H     19.53057562     10.64961796    -13.32047103
  O     15.85083125      8.89560911    -14.31825643
  H     14.23963494      6.88613546    -10.37374444
  H     17.83170420      9.31765008    -11.38674120
  O     11.26761400      9.22221501    -13.48604715
  H     15.25159138     10.25866156    -13.38370181
  H     18.93928785      8.48727887    -12.07721625
  O     17.06524584      8.05251692     -8.85916338
  H     14.23607759     10.67760845    -12.30098196
  H     16.54219889     11.47373359     -8.16020397
  O     12.34753928      6.56876606    -13.40953473
  H     17.36366963      6.47067331    -17.89602148
  H     16.58785176     10.95578820     -9.61371350
  O     19.00729976     11.45824739    -13.26914688
  H     16.87328522      6.35488750    -16.43243201
  H     12.28585866      9.57375744    -11.86080262
  O     18.22666104      8.43579460    -11.42692456
  H     15.54603651      7.23561924     -8.64583418
  H     13.02258925      9.72039347    -10.44166280
  O     16.22849842     10.77429329     -8.72844870
  H     14.64258690      6.22431059     -7.89870515
  H     14.44163626     13.20159891    -15.24838318
  O     13.12524518      9.69305150    -11.40364160
  H     18.34653193      8.16427829    -16.37664052
  H     14.73510782     11.97251473    -14.35819726
  O     14.66261008     12.27401591    -15.28112848
  H     18.49920183      9.65334386    -16.01769322
  H     15.32050857      7.74268536    -16.94165414
  O     14.45715586      7.95954059    -16.56670840
  H     15.34456965      5.26201433    -15.24160457
  H     14.05366672      7.11792536    -16.31131493
          69
 Energy    -248.53934401520542     
  O     11.68822837      9.80455501    -15.41907630
  H     12.23768427      9.23747938    -15.97616384
  H     16.39601703      5.89510720    -14.86662679
  O     16.28699085      6.67016935    -13.15972992
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  H     16.32602884     11.78403639    -16.23933664
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  H     13.13492818      6.08485739    -12.75753557
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  H     18.36662611     13.39300721    -12.07792208
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  H     18.43649561      8.86212831    -13.07241160
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  H     14.83046272     10.11229268    -13.80530396
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  H     13.52157825      9.78639324    -12.07758445
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  H     12.95290755     13.12386141    -15.45740236
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  H     18.61293343     10.29824321    -14.91215540
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  H     14.16241879      8.38815039    -15.95281566
          69
 Energy    -248.53911008984366     
  O      1.00028896     -0.11784209      5.24466502
  H      0.51290993      0.67134760      4.97024890
  H     -1.87118622      3.15048210      1.28785506
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  H     -2.55956069     -0.82624031      5.90294046
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  O     -4.53973883      2.69524039      3.29049386
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  H      1.75218847     -0.65943722      3.70378919
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  H     -1.08657696     -3.34693912      3.68851515
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  H     -6.80432099      0.46327982      1.76386168
  H     -0.94571953     -1.67558215      2.49956531
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  H     -2.49064293     -2.89226686      0.08036852
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  O     -3.41544214      0.20057594      0.73507975
  H     -2.96039675      2.15487781      0.83193268
  H     -2.89352513      0.05622898      1.54230277
          69
 Energy    -248.53906784948629     
  O      0.90358993      4.30964370      0.64668368
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  H      3.28091391      6.49043995      0.81153880
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  H     -1.95276875      4.93060760     -2.99304761
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  H      5.09536787      6.30140387     -0.67735349
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  H      3.34258058      5.29651509     -3.79858359
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  H      5.92302577      3.20519986     -1.28128833
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  H      6.14577630      4.58034015     -1.92700032
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  O     -1.08781512      4.67193201     -2.68124131
  H      3.42894045     -0.16682447      0.11922698
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  H      4.18016117     -0.79468049     -3.70654343
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  O      6.27890422      3.63672527     -2.07008627
  H      4.28556270      0.73128421     -3.46913937
  H      4.73649828      1.55776865     -0.02603502
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  H      2.82586079      2.94210600      2.65670053
  H      4.02557911      2.87376961     -0.44668363
  O      2.56309705      3.47295408     -1.34579090
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  H      1.08923045      7.83107429      1.00496755
  O      4.51405833      3.79961528      2.39803677
  H     -1.05903912     -0.00810417     -0.85516340
  H      1.21811313      7.00720742     -0.30167545
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  H     -0.69250408      1.48720514     -0.76909912
  H     -0.57329735      3.58795815      0.03556591
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  H      0.23255403      0.21577926      2.43652985
  H     -1.86451425      2.77119987      0.33615016
  O     -1.32088430      3.13036418     -0.38074922
  H      0.42651163      1.57341339      3.07134803
  H     -1.73689052      1.50167201      2.20747165
  O     -2.50191431      1.86555318      1.73052905
  H      4.24650247      5.43366172      1.41388118
  H     -3.22708848      1.85386661      2.34933699
          69
 Energy    -248.53883785216760     
  O     15.23127757      8.79513931    -15.06626792
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  H     12.34568633      9.75407370    -13.31703262
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  H     13.72449187     11.69980645    -14.32743460
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  O     20.40193785     12.38890095    -12.38913581
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  H     19.96040436     17.35277294    -13.81422550
  O     17.11764874     10.83210910    -10.91924497
  H     19.94589278      9.48486750    -11.59351124
  H     19.80459128     11.12057432    -15.53347485
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  O     14.73104363     12.13366060    -17.52147373
  H     21.00123403     13.14175350    -12.49127243
  H     15.33775726     13.72474486    -17.81551142
  O     18.25257313     14.05468095    -16.85839798
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  H     15.33389726     15.04429472    -18.62557710
  O     21.97151304     14.49042462    -13.15796454
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  H     19.91571812     14.78649904    -16.77773074
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  H     20.62705540     15.70945626    -15.77019787
  O     13.22719980     10.09423337    -13.44841676
  H     18.01460647     10.52736712    -10.71479281
  H     17.94836903     14.68226826    -15.12580731
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  H     18.19476797      8.89627793    -13.29790350
  H     16.70659980     15.24151824    -14.42061752
  O     20.06515581     16.44069712    -14.07376505
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  H     21.81017809     13.79865054    -16.05676595
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  H     23.17168121     13.07050288    -16.15572194
  O     15.70244496     14.62811858    -17.85135222
  H     15.19873897     11.29524483    -17.60106468
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  H     18.29072756     13.08909742    -16.86444665
  H     20.29876756      9.53078549    -14.00162268
  O     17.65932675     15.10946140    -14.30738801
  H     17.42083961     14.31083382    -17.27759460
  H     16.93504292     10.75155525    -13.91728812
  O     22.34501257     13.07613311    -15.68033204
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  H     17.18184180     12.24158095    -13.53552817
  O     20.04104861      8.76219412    -13.46636054
  H     21.37641898     15.20862251    -13.40839422
  H     14.61139056     14.24672649    -14.86536003
  O     16.84764137     11.66116361    -14.23143591
  H     17.70451781     10.68911900    -16.99630245
  H     15.17135975     15.08646095    -16.02097759
  O     15.02718167     15.09553374    -15.06670885
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  H     17.72210608     14.01830220    -12.80276031
  O     17.80260867     13.26384265    -12.20427041
  H     13.63317927     10.16262122    -12.56737026
  H     18.74110028     13.01906553    -12.19420787
          69
 Energy    -248.53869028859614     
  O     12.04849047      5.71077124    -15.06222149
  H     12.41104283      6.35369713    -15.68780523
  H     16.63971495      8.94618291    -16.86084008
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  H     11.51022656      6.21343415    -14.44029236
  H     17.45312327     10.90676461    -14.71284889
  O     14.69133122      9.13492942    -10.79088246
  H     17.35567227      7.13526584    -13.79822998
  H     17.49840977     10.88970753    -13.15872708
  O     13.68452929     10.74510574    -12.83777596
  H     17.28129415      8.55063655    -13.13881095
  H     11.51029034     10.01171587    -14.98561635
  O     15.88479271      7.32344517    -17.64723260
  H     14.10738181      8.40437529    -11.04542623
  H     11.98463671     10.27844229    -13.54467936
  O     16.22389298      6.81371690    -10.01649035
  H     14.34424502      9.88209814    -11.29815552
  H     14.03719822      8.11475932    -14.96920203
  O     17.54363241      5.39542555    -13.44316466
  H     14.11928464     11.53257667    -13.18529385
  H     15.35089835      8.19276442    -14.12299216
  O     13.20383767      7.13941986    -11.98976421
  H     13.98765543      9.99153149    -13.36946166
  H     13.72232756      3.09169011    -14.63087269
  O     14.64421971     11.29193349    -16.30446310
  H     16.01659077      6.58698137    -17.02169965
  H     13.27641717      4.57220610    -14.63488848
  O     19.70571367      5.86634171    -11.78934896
  H     16.15572935      7.00207200    -18.50339435
  H     17.84318275      7.38780341     -9.94778126
  O     15.12955774     12.87609397    -13.99523984
  H     15.65824014      7.58694530    -10.13689849
  H     19.00123980      7.98232910     -9.10956841
  O     16.90911733      9.58924353    -16.19432329
  H     15.88775343      6.13003698    -10.60790433
  H     16.78263677      5.26773656    -15.15754571
  O     17.43083833     11.46800329    -13.92978955
  H     16.76475612      5.26786327    -12.88366838
  H     15.36812321      4.81679988    -15.51425066
  O     11.28110574      9.86320955    -14.06059967
  H     18.32260469      5.43522016    -12.87164546
  H     16.44242735      9.52114985    -11.35893993
  O     14.40062231      8.36263996    -14.11153060
  H     13.63296734      7.52725794    -12.77183267
  H     17.93068972      9.16006785    -11.11413502
  O     14.02190002      3.97635367    -14.43859725
  H     12.26288061      7.12608984    -12.19463628
  H     13.08675786     10.66306644    -16.61270197
  O     18.72030839      7.81212996    -10.00500619
  H     14.76139573     11.93583879    -15.59636181
  H     11.77778525     10.74193106    -17.43746443
  O     16.13374490      5.28114914    -15.87293527
  H     15.42465105     10.72257065    -16.28591911
  H     14.78064928      4.58447843    -12.81527819
  O     17.33848946      9.64271722    -11.70342894
  H     19.45750932      6.55769862    -11.15857046
  H     14.39455796      5.78937375    -11.96378383
  O     12.21969014     10.24038418    -16.75798993
  H     20.64769112      5.95122049    -11.91816113
  H     10.83844108      8.27135240    -13.49713046
  O     15.09361217      5.12867746    -12.08055117
  H     16.00599741     12.45431942    -13.93244337
  H      9.75045116      7.34843858    -12.90188841
  O     10.66393741      7.36929386    -13.17327697
  H     15.25803639     13.80734198    -13.83960885
  H     12.88947184      8.53084789    -16.78851347
  O     13.29604825      7.67443734    -16.60084345
  H     17.09163911      9.04378409    -15.41285786
  H     14.12327802      7.60906729    -17.09461582
          69
 Energy    -248.53867217480800     
  O     12.45833293     10.38480957    -13.75317859
  H     12.01125241      9.88537322    -13.05796018
  H     21.16959540      6.66572982    -14.05713898
  O     16.50992561      5.59669459    -12.49594169
  H     12.30336817      9.91997072    -14.58390997
  H     15.78675397      9.83640881    -16.45308583
  O     17.64882682      9.96374707    -12.12038272
  H     17.27087027      6.10911384    -12.18951095
  H     15.10174367     10.67373137    -15.37590988
  O     17.16713788      8.62050587    -16.20450008
  H     15.78304831      5.74970051    -11.87554287
  H     15.96605382      6.93848060    -13.61197697
  O     13.23160881      6.60344117    -15.18626124
  H     16.82557352     10.16201364    -12.58877916
  H     14.75168258      7.26909206    -14.52101219
  O     14.46479142      6.29756819    -10.81191728
  H     17.45147130     10.09821982    -11.18553726
  H     10.71469125      8.79398864    -11.09569599
  O     15.11802034     10.15441715    -13.28716084
  H     16.62734404      8.19559896    -15.52013851
  H     11.72141062      7.95457474    -11.92142791
  O     17.32980903      6.43375323    -17.79710573
  H     17.92226561      9.01486998    -15.74519953
  H     17.41006460      8.27971522     -9.09152721
  O     15.72448782      5.64846597     -8.48454739
  H     12.93208801      7.37455485    -15.68465626
  H     18.17129229      7.25759679     -9.94984847
  O     18.79179458      5.33019803    -15.61050270
  H     13.76424353      6.04046629    -15.76991932
  H     12.98718969      6.19687893    -11.98911181
  O     16.64416010      3.80996853    -14.53657739
  H     14.79375746      5.98986996     -9.95378568
  H     12.54303679      6.39856073    -13.46876299
  O     20.25613674      6.92888376    -13.98307529
  H     14.44975992      7.26243652    -10.77499871
  H     18.79315963      9.81349771    -13.71664323
  O     14.99847972     10.37065422    -16.28281018
  H     14.18070513     10.36199786    -13.43056602
  H     19.63895276      8.69721265    -14.36718300
  O     15.58313278      7.62102232    -14.17416910
  H     15.27051617      9.25774985    -13.63054373
  H     18.23164766      8.20874809    -11.95584331
  O     11.55350979      8.83899245    -11.54559137
  H     17.29457152      7.28178989    -17.32037405
  H     19.22778706      7.13582249    -12.47003857
  O     17.76215471      7.38143679     -9.08378889
  H     17.55293557      6.63429749    -18.70211645
  H     16.38806278     10.64862052     -8.84116761
  O     12.24179607      6.44542168    -12.55176042
  H     16.49498541      6.22400238     -8.63020586
  H     15.68661585      9.67276724     -9.81155662
  O     19.16678814      9.51862779    -14.55552850
  H     15.95228679      5.07859544     -7.75570784
  H     15.77175839      5.53778335    -17.08745138
  O     18.55128699      7.30854634    -11.80290166
  H     18.14268468      4.71697040    -15.24489236
  H     15.54971944      4.58983997    -15.90038699
  O     16.55317149      9.95381592     -9.47413551
  H     18.39800326      5.66690320    -16.42430844
  H     13.29425446      9.11407952    -10.87880859
  O     15.08222591      5.11960667    -16.55865706
  H     16.57037129      2.91338967    -14.21991344
  H     14.58781401      9.49541958    -11.62591360
  O     14.25565529      9.14205162    -10.78930956
  H     16.57202889      4.38953140    -13.75828144
  H     12.06349225      9.35992004    -17.09387128
  O     12.58149995      9.09281410    -16.33879026
  H     19.74822615      6.34954557    -14.57874680
  H     13.43505375      9.55582952    -16.40826087
          69
 Energy    -248.53864518117703     
  O     13.18463471      7.23933632    -15.47783068
  H     14.11513895      7.37820528    -15.26145232
  H     13.57084151      3.99098266    -14.26239962
  O     16.83233025      5.85135984    -10.57875954
  H     12.67901291      7.86233068    -14.93616760
  H     12.68256569      5.34064820    -10.91251361
  O     12.79774466      1.95108632    -11.80776541
  H     16.47109076      6.73461515    -10.41445531
  H     12.19648275      5.64576348    -12.33697008
  O     13.82023737      7.47184187     -8.16209130
  H     17.79284244      5.94018465    -10.53766154
  H     11.21282175      8.60970633    -13.04047731
  O     18.19081599      8.88281786    -13.92869411
  H     13.16012528      2.09594283    -10.92422913
  H     12.72918499      8.82262024    -13.05239547
  O     16.57912267      5.09601674    -13.26432407
  H     13.35712757      2.44162885    -12.42416280
  H     20.42050950      6.16537648    -10.53934931
  O     10.28961199      2.94407045    -11.81633776
  H     13.66091251      7.78004304     -7.27336864
  H     19.52975825      6.32504792    -11.79587672
  O     18.25286900      9.00073048    -11.20929036
  H     12.95242749      7.44355757     -8.60194672
  H     14.78708037      7.96163735    -12.97446013
  O     13.53614838      2.60317179     -9.12774007
  H     18.59814132      9.65901683    -14.30350035
  H     13.80161187      7.25508086    -12.00159000
  O     11.42487804      4.40171803     -9.63344395
  H     18.19265462      9.00381451    -12.96231518
  H     14.51896187      5.73204269     -8.53717056
  O     11.38671814      7.16257862     -9.34317213
  H     16.59533184      5.30382776    -12.31840154
  H     15.61189038      5.11278517     -9.43760129
  O     14.11459248      3.80470972    -13.48703460
  H     15.83444752      4.50085068    -13.41444046
  H     15.18431238      8.19277762     -9.26626668
  O     12.98305402      5.64828077    -11.77386758
  H      9.64335854      2.24360179    -11.80537798
  H     15.21868498      8.42378921    -10.79067566
  O     11.93849215      8.89620682    -13.60496262
  H     11.16685254      2.52065876    -11.86310465
  H     18.35012712      5.68774858    -13.56554934
  O     19.56216858      6.45868980    -10.83108602
  H     17.42998567      8.94324590    -10.70570752
  H     18.93199005      7.09657129    -13.79837026
  O     14.23248348      8.10071424    -12.19419574
  H     18.77941084      8.23429486    -10.95097028
  H      9.07147056      7.85652291    -11.90326648
  O     14.87991276      4.89315401     -8.84573314
  H     14.09000190      3.39712157     -9.00835053
  H     10.10343888      6.82463712    -12.40529222
  O     15.78023817      8.38486847     -9.99913845
  H     13.76276954      2.00254535     -8.42313726
  H     16.05740575      6.63411187    -14.09144066
  O     19.16457544      6.20617373    -13.50640801
  H     12.07694529      3.76189814     -9.32004002
  H     16.57884819      8.06639666    -14.36783830
  O      9.99881623      7.63084726    -11.87389846
  H     10.90193389      3.94216343    -10.30138039
  H     12.61006587      5.65264470    -15.51818428
  O     15.79315894      7.50781231    -14.41453751
  H     10.96564869      7.44571827    -10.16198360
  H     12.09012705      4.44614826    -16.33922995
  O     12.26595909      4.74095081    -15.45027889
  H     11.26739001      6.20224398     -9.30700323
  H     10.41152643      4.46752205    -12.82502460
  O     10.61123724      5.31006409    -13.25647621
  H     13.82983423      4.44415903    -12.81463308
  H     11.06387874      5.11092880    -14.08685806
          69
 Energy    -248.53853712747889     
  O     14.95117649     10.11233969    -10.99858193
  H     14.50457122     10.52988312    -11.74840749
  H     15.62033141      3.97416641    -15.64875919
  O     13.39202938     10.17523767    -16.76047912
  H     14.29899608      9.58767756    -10.51094593
  H     16.84041806      4.41943304    -10.78912652
  O     16.80195247     11.06768858    -13.84819977
  H     13.29219466     11.07753471    -16.43207252
  H     17.82141276      3.27362196    -10.44832866
  O     13.47637953      4.81189287    -12.93127282
  H     13.09143453      9.60042059    -16.04566044
  H     12.90838936      7.77295698    -10.63483827
  O     15.21036734      6.64804250     -8.45314654
  H     15.84422618     11.02149252    -13.71437556
  H     13.87534577      7.67587083     -9.41492246
  O     16.19200710     12.51364507    -16.19817842
  H     17.19733320     11.13144024    -12.97174597
  H     18.99680446      7.64922102    -13.12825454
  O     15.80761751      7.59148603    -12.08684300
  H     14.03654462      4.77144853    -12.14260664
  H     18.59422602      7.81612806    -14.61142502
  O     14.01557504     11.03924759    -13.41476269
  H     14.07215384      4.67228982    -13.67618342
  H     14.50096260     12.80931345    -15.82498053
  O     18.40231796      8.32014819    -11.43821009
  H     16.15344969      6.72971627     -8.68365594
  H     13.20251996     13.65133069    -15.76118713
  O     17.52329422     10.99443457    -11.10725426
  H     15.16950829      6.56026406     -7.50458470
  H     12.53351207      8.18016478    -13.66549446
  O     17.81107712      4.75972250    -13.56808810
  H     16.22065253     11.78658816    -16.83295602
  H     13.76886053      8.17741113    -14.59437742
  O     15.52075551      4.60122268    -14.93820912
  H     16.57954847     12.16108603    -15.38566604
  H     15.93445762      9.95405819    -18.66856098
  O     17.78215775      4.18096234    -10.74173888
  H     15.62842748      7.52746895    -13.03394942
  H     15.02512714     10.04855313    -17.42134981
  O     13.29691804      8.27225862     -9.90601100
  H     15.42322009      8.41202758    -11.75598229
  H     11.14920351      6.77632338    -12.11506628
  O     19.00793515      7.20798249    -13.98739745
  H     13.60763733     10.22108930    -13.73575623
  H     12.53357104      6.22772617    -12.52314496
  O     13.56155819     12.79016627    -15.56730214
  H     13.76312625     11.73687776    -14.03090144
  H     15.07034670      5.50043458     -9.92166422
  O     12.96484431      8.67438993    -14.37186506
  H     17.53238071      7.98649083    -11.71092155
  H     15.45455273      6.01313958    -11.31861393
  O     15.94893582     10.09509246    -17.72561907
  H     18.28651991      9.26628499    -11.29258715
  H     18.16134756      7.28987465     -9.88039395
  O     12.06131784      7.02977774    -12.23768801
  H     16.60673796     10.70544453    -10.94689460
  H     17.99663106      5.78440002     -9.64916284
  O     15.22858462      5.20566806    -10.82664134
  H     17.71790851     11.66975890    -10.46293133
  H     16.07322986      7.83423345    -15.14705565
  O     17.83885460      6.64350043     -9.23879985
  H     18.29480327      5.58028107    -13.74840303
  H     15.39930897      6.41987361    -14.97669327
  O     15.29990761      7.36495858    -14.80667590
  H     17.95659752      4.54790236    -12.64111675
  H     17.03353105      9.30085524    -16.41383124
  O     17.40074484      8.97677127    -15.58161904
  H     16.36008553      4.59895341    -14.43995214
  H     17.28138034      9.69270474    -14.93977978
          69
 Energy    -248.53852166549007     
  O     12.52675335     12.31030544    -12.72175176
  H     12.26840127     13.16785695    -12.39262657
  H     17.89226720      6.01173895    -13.46788121
  O     19.02297811      9.20960529    -12.52925979
  H     13.35589040     12.43760850    -13.21184664
  H     13.31152199      9.63002616    -16.68851125
  O     15.68688950      9.82259495    -11.36962979
  H     18.76422795      9.92657213    -11.93763105
  H     12.27063552     10.64123437    -16.16278460
  O     11.15943953     10.78639568    -14.76751100
  H     18.86980234      9.53534857    -13.42359856
  H     16.51066605      9.80965899    -14.50736082
  O     13.99439828      7.94918708    -15.37398387
  H     15.70475562      9.80095610    -12.34064721
  H     15.08170513      9.18136292    -14.57889014
  O     14.77614137      5.99081419    -13.56105125
  H     16.41402575     10.39033258    -11.09230042
  H     14.16994191     13.33022680    -17.61622235
  O     18.52919996      6.64189102    -11.81083319
  H     11.51027069     11.37530526    -14.08937929
  H     13.92911057     11.93884863    -16.97866322
  O     14.85862089     12.45117444    -14.20558247
  H     11.19949114      9.89809021    -14.38743223
  H     12.89557772      8.03145618    -10.60329786
  O     18.40144546      7.50271230    -16.22891863
  H     13.18238954      8.17198571    -14.89637834
  H     14.03433624      6.99296904    -10.53152344
  O     15.81710272      7.07436633    -11.18944838
  H     14.36312853      7.20170379    -14.88065533
  H     17.83969327     10.55887070    -15.91191242
  O     16.84138737     11.10053098    -17.20392103
  H     13.88416114      5.70191403    -13.33428863
  H     18.42847314      9.19259908    -15.50314375
  O     17.48756237      5.83266099    -14.32616613
  H     15.13288892      6.39749586    -12.75718653
  H     16.71101524     12.64662716    -13.74399998
  O     12.97847857     10.51927971    -16.81530326
  H     19.28642443      6.29736133    -11.34513706
  H     17.96524431     11.83933650    -14.14147419
  O     15.64045838      9.79661782    -14.09041034
  H     18.74322666      7.55920440    -12.05968400
  H     18.38682317     12.01559536    -10.42240842
  O     14.50298583     12.72767272    -16.95732371
  H     15.06813450     11.50447348    -14.19143870
  H     17.87180069     11.89562791    -11.87814729
  O     13.07476405      7.09294789    -10.46586622
  H     14.73171030     12.68704982    -15.13456438
  H     13.88543526      9.84470936    -11.32132497
  O     18.24051745     10.07964867    -15.16526663
  H     19.06708602      7.05951542    -16.74848445
  H     12.67093825     10.67971808    -11.76000053
  O     17.63157457     12.47888835    -13.50328400
  H     18.08650852      6.86252300    -15.56643429
  H     16.76743407      8.03778468    -17.09349693
  O     17.97843744     11.41349449    -11.03802028
  H     16.74344728      6.81599897    -11.26431882
  H     15.25649595      8.15154770    -16.81768465
  O     12.92593745      9.80320508    -11.44680374
  H     15.81089702      8.04304712    -11.18607319
  H     12.26347261      8.81250939    -12.85114217
  O     15.95690531      8.46220826    -17.40233415
  H     16.45540299     10.23597163    -17.41384463
  H     11.79425090      7.41668248    -13.33414656
  O     11.88694731      8.33699708    -13.60644029
  H     16.11327910     11.73022793    -17.19443865
  H     11.50957128      4.99948908    -12.35277731
  O     12.11733929      5.69617499    -12.58451430
  H     16.54291165      5.72374587    -14.16036409
  H     12.39491861      6.12027127    -11.75168297
          69
 Energy    -248.53823851007303     
  O     -2.14564201      4.93330656      2.63877311
  H     -2.26020144      4.11616715      3.15198375
  H     -2.20947932     -2.16510247      2.28785969
  O     -2.36559154      2.49250152      3.89246553
  H     -2.57845476      5.62885567      3.12704909
  H      0.39122045      1.45747298     -0.23412420
  O      0.06059848     -0.92155841      4.30667783
  H     -1.77363245      2.22710976      4.60589518
  H      0.93758005      0.49077238      0.86960552
  O     -2.07556998     -3.05903965      0.74986411
  H     -2.11010755      1.95600817      3.12505486
  H     -4.95996001     -1.85714151      1.44677077
  O     -1.59282135     -1.14760978     -1.14392107
  H     -0.79762380     -1.19628464      3.95110181
  H     -3.92418306     -2.65623647      0.62411113
  O     -4.34105620     -0.32326704     -1.38990416
  H     -0.09973591     -0.15404153      4.86858719
  H      1.06089361     -2.47208664      3.84217959
  O     -4.93436185      1.52583717      3.06897208
  H     -1.27968583     -3.59155472      0.86464621
  H      2.34023321     -2.75553188      3.02338356
  O     -4.03734317      1.79047320      0.41047285
  H     -1.88369267     -2.42341881      0.04123207
  H      0.78007457     -3.90562242      1.96974657
  O      0.14147373      3.21824216     -0.61346251
  H     -2.44221609     -0.72657799     -1.32527361
  H      0.70210569     -5.13648214      1.03596051
  O     -1.82954693      0.83222171      1.77277180
  H     -0.98452976     -0.46018962     -0.85015866
  H      1.28020673     -2.80279093      0.11005976
  O     -5.06460898     -1.17788948      3.24401093
  H     -4.87348008     -0.51071765     -2.15827173
  H      1.29738842     -1.31599057     -0.31748194
  O     -2.30274030     -1.57980924      3.05421980
  H     -4.56358421     -0.99742619     -0.72218712
  H     -0.11973200      1.77296409      6.54036089
  O      0.38812015      0.53919592      0.07145725
  H     -4.82270091      1.72221230      2.12830508
  H      0.33706400      2.00378930      5.07787053
  O     -4.75567911     -2.16749209      0.55670649
  H     -4.17156997      1.91773925      3.51198721
  H      1.74247918      1.85762282      3.40766156
  O      1.53622774     -3.16543277      3.36677600
  H     -4.25150215      1.15321575     -0.28167730
  H      1.21687948      3.30345666      3.32868741
  O      0.42719774     -4.22712255      1.12118716
  H     -3.25784602      1.43487508      0.86655547
  H      3.06641517     -1.92189252      1.09556483
  O      1.85974699     -2.08207913     -0.16864910
  H      0.46478519      3.71824146     -1.35875828
  H      4.50697297     -1.89380632      1.66771057
  O     -0.34058008      1.57399002      5.63467144
  H     -0.78366931      3.49110666     -0.47398982
  H      1.15768822     -0.16392824      3.05386565
  O      1.47034494      2.60736329      3.95180034
  H     -1.05359045      0.74248149      1.21008989
  H      2.51629063     -0.33849963      2.32149149
  O      3.59030926     -1.79285063      1.90748696
  H     -1.99875468     -0.02765223      2.18110301
  H     -0.28968752      4.69145499      2.23454241
  O      1.77003105      0.26234250      2.43605674
  H     -5.07868604     -0.20501256      3.20947196
  H      0.54948319      4.01348919      1.13745992
  O      0.60134150      4.38621914      2.02433222
  H     -5.75137325     -1.44222120      3.85020670
  H     -2.37951052      4.42073733      0.82720243
  O     -2.38344911      3.99512324     -0.03928743
  H     -3.24537927     -1.50319783      3.24779011
  H     -3.06466584      3.31091839      0.00539168
          69
 Energy    -248.53819593701451     
  O     -6.61563985      3.49085758     -1.09072630
  H     -7.04819562      2.81074571     -1.62014429
  H     -5.69782822      1.36831968      4.85393521
  O     -3.31163811      2.25306644     -3.54928476
  H     -6.76261548      3.22855543     -0.17405153
  H      0.05195134      1.69747834      2.15295536
  O     -6.38514712      2.28147453      1.48981458
  H     -3.53880606      2.42685802     -4.45949232
  H     -1.23127944      0.84628550      2.23023746
  O     -4.46640412     -0.87359212      2.41327732
  H     -3.95595279      1.60313252     -3.22010186
  H     -2.54015095      3.14003247     -0.28038018
  O     -1.74742341     -1.52082530     -0.89944157
  H     -6.23380495      2.02115102      2.40687596
  H     -1.62710478      2.40163740      0.79932134
  O     -5.06385643      0.46974314     -2.39727428
  H     -5.66410422      1.87478898      0.97847858
  H     -0.01563906     -1.39780633      2.10844720
  O     -6.27009528     -2.17314642      0.71569310
  H     -5.16196609     -1.38324182      1.97781855
  H      1.31695771     -0.64963579      1.94285746
  O     -4.48205000     -2.09056036     -1.31646771
  H     -4.87358316     -0.23215755      3.00992513
  H      2.56901917      1.61769901      1.51774780
  O     -1.19244400      0.89664724     -2.19974569
  H     -1.60570942     -0.71783692     -1.42076462
  H      1.60800259      0.95545243      0.50427155
  O     -1.78402228     -0.84216867      1.83097882
  H     -0.90106415     -1.98532068     -0.87736970
  H     -7.89558096      0.75034310     -1.42669241
  O      0.89124187     -2.47020803     -0.57964492
  H     -4.84157400      0.63322527     -1.46624430
  H     -8.59883802      1.04563549     -2.77414707
  O     -5.41857430      1.29011917      3.94609789
  H     -6.00600088      0.65738176     -2.49398118
  H     -2.35757272      2.48896074      3.25370094
  O     -0.88905390      1.74418602      2.36170819
  H     -5.63438590     -2.19450197     -0.02311955
  H     -3.49942010      3.46391198      2.86258449
  O     -1.99914034      2.36380670     -0.09001950
  H     -6.65543478     -3.04373901      0.77175005
  H     -7.49328332      0.84768357      0.77124189
  O      0.93277372     -1.53444413      1.97330068
  H     -3.52975446     -2.02521948     -1.16518536
  H     -7.35863159     -0.64985874      0.40404554
  O      1.71929684      1.19163794      1.44246554
  H     -4.70693327     -1.33420497     -1.87301824
  H     -3.50958214      1.39705008      0.17405451
  O     -7.77458765      1.15001554     -2.30726965
  H     -1.75963995      1.27496069     -2.87869226
  H     -4.26955600      0.25515089      0.91989081
  O     -3.23952890      2.78794373      3.50503720
  H     -1.38043985      1.42678754     -1.40682680
  H     -4.85760096      3.90521029     -1.27316714
  O     -7.85832851      0.15309605      0.21039390
  H     -1.81074286     -1.05046075      0.88653322
  H     -3.59665637      3.60812880     -2.09621764
  O     -4.35177830      0.92779483      0.23372331
  H     -2.67629490     -0.97756638      2.17522572
  H     -5.15577464      3.90475028      1.56498286
  O     -3.89774808      4.04594156     -1.29205922
  H      1.39643383     -3.26809136     -0.70787453
  H     -4.16549492      4.55045192      0.59398751
  O     -4.34461915      4.42440932      1.53283368
  H      0.96876547     -2.23422976      0.36241236
  H      0.57684524      0.58717608     -1.62774177
  O      1.35280413      0.31937705     -1.11876263
  H     -4.60264047      1.81896394      3.85439586
  H      1.30805691     -0.64311054     -1.06402211
          69
 Energy    -248.53818595310875     
  O     15.66285464      8.85174428    -15.90890669
  H     16.05360332      8.85782513    -16.79277474
  H     17.90945242      6.47540992    -16.55079395
  O     13.09578170      5.82376102    -17.47912409
  H     16.26370048      9.32249031    -15.31704513
  H     17.07180525      6.25947731    -14.51706702
  O     17.95663020      6.20142279    -12.89109506
  H     12.19401655      5.73502560    -17.77522426
  H     16.16290312      7.10925871    -15.46045496
  O     19.25837773      3.95112552    -17.42039554
  H     13.08797001      6.45731772    -16.73910515
  H     13.97924372      8.14949086    -15.58592322
  O     16.71042771      3.81694564    -18.24549218
  H     17.77243026      5.25971774    -12.77153946
  H     13.39201595      7.22889513    -14.49534531
  O     13.13100868      5.87557294    -10.25174864
  H     18.90416310      6.28865001    -13.04672833
  H     17.32555612      3.74277303     -9.16752454
  O     14.70911261      4.00215111    -13.38907030
  H     19.80658428      3.40685497    -17.97892777
  H     16.60905602      4.88352927     -9.92348471
  O     16.29073854      8.16663806    -12.13167686
  H     18.34328984      3.84802669    -17.74207497
  H     14.19795794      4.59369163    -16.59867164
  O     19.62197161      3.88034879    -14.58110705
  H     16.34916765      4.58666770    -18.70819339
  H     15.52991639      4.87254402    -15.86802619
  O     14.14656974      3.40043001    -10.72201380
  H     16.09936443      3.66880297    -17.51341526
  H     21.46448555      6.00461411    -13.13459529
  O     19.57017454      8.35306690    -15.08298299
  H     12.32427965      5.87602521     -9.74453167
  H     20.37452662      5.33419298    -14.00533035
  O     18.63589033      6.68373357    -17.16088511
  H     13.39484714      4.94444584    -10.36460888
  H     16.46176244      3.59246284    -13.04086287
  O     16.60195657      6.25418385    -15.36047484
  H     14.66055905      3.87434656    -14.34582353
  H     17.32924519      3.50808255    -11.76811228
  O     13.25282839      7.53941300    -15.39937215
  H     14.50418578      4.93434056    -13.23068411
  H     14.93323851      6.38717254     -9.84190600
  O     16.88528138      3.95206472     -9.98720151
  H     16.59795449      8.90700946    -12.66367381
  H     16.07540135      7.20624338    -10.46454560
  O     14.91128151      4.16396850    -16.10942512
  H     16.91524692      7.44736545    -12.32807944
  H     14.59042765      6.08479189    -18.65410552
  O     20.66126390      6.18131971    -13.61619486
  H     18.85748638      3.56861523    -14.08281512
  H     15.82254517      6.96167444    -18.96124294
  O     17.37754039      3.51953218    -12.73370138
  H     19.41442215      3.81733815    -15.52152152
  H     14.75741824      7.25469334    -12.61217473
  O     15.89190390      6.50435851     -9.82880281
  H     15.04700782      3.41881955    -10.37629367
  H     13.56625861      6.49545048    -11.97691919
  O     15.41132137      6.11478750    -19.16221859
  H     14.24212427      3.42997607    -11.68527175
  H     18.29141142      9.35653144    -14.41205657
  O     14.00525356      6.68177524    -12.81630400
  H     19.33821134      7.86904365    -15.88624902
  H     17.86354548     10.77634317    -13.97780107
  O     17.53927621      9.88675026    -14.09295754
  H     20.07640568      7.72313174    -14.55577854
  H     17.35071956      8.99194056    -19.07533986
  O     16.95130686      8.46470967    -18.38783386
  H     19.03170556      5.83239321    -17.37714892
  H     17.63628079      7.85207062    -18.06934316
          69
 Energy    -248.53816285772365     
  O     12.39079515      5.49866593    -15.20831561
  H     12.91508213      6.27052778    -15.46093511
  H     15.60694476      4.83208464    -14.90525453
  O     17.10319439      5.75065681    -12.32774844
  H     13.00855873      4.75804327    -15.17573952
  H     19.39640288      9.73357323    -13.15082899
  O     15.97788875     10.28778593    -10.24843972
  H     16.80060206      5.66945743    -13.24328624
  H     18.50506138     10.81585028    -12.40454534
  O     19.97571698      8.58234275    -14.45884669
  H     18.06252890      5.88239373    -12.33423694
  H     14.84705528     10.47091341    -13.95092900
  O     14.37035855      3.47134666    -14.67072720
  H     16.20094358      9.57683416    -10.86998538
  H     16.00302049     11.45545521    -13.70271885
  O     13.84001701      8.94149916     -9.15659337
  H     15.15106518     10.00896088     -9.82921541
  H     16.85669209      7.52556866    -12.17961685
  O     14.95202922      5.56291863    -10.61272459
  H     20.72832672      8.59184718    -15.04377848
  H     17.55949270      8.90370215    -12.32986865
  O     14.17806095      8.92844830    -13.15994971
  H     19.22193195      8.24911590    -14.97959082
  H     10.29686127      5.44041444    -12.81439893
  O     19.71654114      6.58932080    -12.33895975
  H     14.07243408      3.52499842    -13.74445079
  H     11.58265565      5.59907083    -13.65964121
  O     15.59284744      6.83018910     -8.18694567
  H     14.39712102      2.54594061    -14.89750243
  H     18.44042324      8.48751215     -9.12289955
  O     15.93794805      9.59455238    -16.63344266
  H     13.34180457      8.49147497     -9.85145894
  H     17.13999986      9.31717913     -9.06873130
  O     16.08104822      5.67348149    -14.91320485
  H     14.32739472      8.24343349     -8.70249588
  H     13.95358930      4.28928798    -11.52669706
  O     19.08331088     10.05214248    -12.29227173
  H     15.75143740      5.56531635    -11.15912874
  H     12.59193588      4.30264760    -12.24971652
  O     15.46002480     11.07171563    -14.39905701
  H     15.19522231      5.90264778     -9.74265194
  H     16.60431994     11.49622437    -11.41119039
  O     16.70673398      8.47910803    -12.18935828
  H     13.62081160      8.46996198    -12.51836723
  H     17.01591018     12.90829031    -11.88372396
  O     11.23619666      5.58911344    -12.74939568
  H     15.09351964      8.77099828    -12.88130361
  H     20.82183337      8.83755717     -9.86696941
  O     17.61040878      8.58861204     -8.64339081
  H     19.89366677      7.18235959    -13.07837778
  H     19.72134207      9.15173974    -10.90767686
  O     13.40834498      3.79705073    -12.15518070
  H     19.88230125      7.10597059    -11.54072322
  H     14.08121021      8.07059903    -14.70959126
  O     17.02383929     11.98886961    -12.13846328
  H     16.36790324      7.40465043     -8.31735123
  H     14.67273142      8.24678922    -16.12176940
  O     19.99515035      8.51852821    -10.22165777
  H     15.63770708      6.51018249     -7.28971695
  H     12.21779807      6.81296757    -11.74082726
  O     14.18520906      7.62847263    -15.56666548
  H     15.87399444     10.14215686    -17.41128784
  H     13.61793691      6.73000262    -11.08478121
  O     12.89653457      7.33952606    -11.30184434
  H     15.81192006     10.18102889    -15.86622953
  H     17.36365530      6.89353934    -15.58554666
  O     17.87329075      7.67307822    -15.83804524
  H     15.41705134      6.34827949    -15.11509562
  H     17.24058970      8.32734862    -16.16035649
          69
 Energy    -248.53803297353838     
  O     -1.62619050     -3.00926335     -0.41029728
  H     -1.11614809     -2.19366310     -0.32324336
  H     -2.01608756     -6.40131851      0.81017078
  O     -1.95794203     -0.19483636      6.91003431
  H     -1.08412226     -3.64723087     -0.89221190
  H      2.00382052     -2.46264377      4.04831185
  O     -1.65451006     -0.18344584      2.47058566
  H     -2.74059696     -0.73624708      7.06830070
  H      2.88958520     -3.62202535      3.54480299
  O      1.96989255     -4.11580224      6.64510209
  H     -1.21725961     -0.81553827      6.87450689
  H     -0.38438251     -4.59470841      2.28335333
  O     -4.25851166     -1.93406807      6.92394962
  H     -2.40307694     -0.79594979      2.41307367
  H     -1.14170851     -3.59270749      1.33942599
  O     -0.08876377     -2.20844756      6.45638744
  H     -1.87798290      0.45033096      3.16425880
  H     -2.28161693     -4.11728769      3.21803225
  O     -0.09210923     -5.62820329      5.35096133
  H      2.70192870     -4.31564659      7.22130682
  H     -2.91655702     -4.22969918      4.62800008
  O     -4.71781254     -0.45060775      4.68819169
  H      2.34502278     -3.74443905      5.82542837
  H      3.74791503     -5.09748892      1.70682406
  O     -0.03522250     -0.82655365      0.29712333
  H     -5.02306655     -1.91133241      7.49340369
  H      2.55520739     -4.16907226      1.37881851
  O      0.51964264     -6.11155163      2.70505786
  H     -4.49810190     -1.44403457      6.11712001
  H     -4.16336520     -2.27293808      1.62546401
  O     -3.73742006     -5.95297716      1.56221199
  H      0.63496634     -2.79017761      6.71567972
  H     -3.66926336     -2.68860580      3.01419414
  O     -1.11909662     -6.56656929      0.49607787
  H      0.03282029     -2.02521482      5.51218334
  H      1.25186962     -3.78825141     -0.40363291
  O      2.74548249     -3.03164039      4.29434604
  H      0.62144511     -5.20605778      5.84634172
  H      1.24555920     -2.40532847      0.29333560
  O     -0.87209309     -3.76081431      2.24921986
  H     -0.90911960     -5.26458579      5.70685527
  H     -0.28362814     -1.06583743      3.43208174
  O     -3.11091681     -4.30808504      3.68598370
  H     -4.58607003     -0.93031279      3.85847913
  H     -0.05325786     -2.56150676      3.26130124
  O      2.92853667     -4.75866695      2.05830879
  H     -4.07249686      0.26548385      4.67520096
  H     -0.32633621     -5.61324845     -0.70998090
  O     -3.87320173     -1.91255148      2.47432710
  H      0.24336892     -0.03040186     -0.14969675
  H      0.23074864     -5.45208112     -2.14582264
  O      1.77045088     -3.20192059      0.16337760
  H     -0.57318009     -0.54120049      1.05384174
  H     -2.42285847      2.24384021      4.95291894
  O      0.26917169     -1.78808511      3.74901649
  H      0.32006655     -6.03488374      3.65130315
  H     -2.19553578      0.82159638      5.51449022
  O      0.10029171     -4.98736254     -1.32406463
  H      1.41057000     -5.77123908      2.55673635
  H     -3.05408559     -3.35066373      6.59266626
  O     -2.42337488      1.32182506      4.70991336
  H     -4.38447814     -6.62365275      1.76913234
  H     -1.53596944     -3.33108055      6.36825559
  O     -2.31672647     -3.89831564      6.29308294
  H     -3.59574746     -5.44712845      2.37977051
  H     -4.26172658     -4.32010612      0.55025552
  O     -4.30654642     -3.42090242      0.20589400
  H     -0.55598667     -6.61801696      1.28148825
  H     -3.42105185     -3.24443807     -0.14455291
          69
 Energy    -248.53800717275180     
  O     11.83081197     10.84931651    -13.37177127
  H     12.28660178     11.68464311    -13.21623902
  H     18.74656361      8.76118629    -15.47784908
  O     16.36709307      7.08725090    -13.45379746
  H     12.25033810     10.45310550    -14.14841638
  H     15.46707976     12.80789653    -15.35415855
  O     17.97133974     11.28462723    -11.48100940
  H     15.80453315      6.86639296    -12.70112596
  H     14.21440157     12.60568683    -16.22208092
  O     16.99755880     11.81593358    -15.19235498
  H     17.28322707      7.04147712    -13.15244763
  H     14.77200109      9.66155798    -14.53680348
  O     12.83186512      6.90556445    -15.72375987
  H     17.01669878     11.41721727    -11.50447707
  H     15.91743894      8.83805575    -13.86114008
  O     15.97114236      7.77381479     -8.89978988
  H     18.11377104     10.44010736    -11.02798496
  H     10.60728143      9.04174823    -11.13325254
  O     14.71604320      6.67216474    -11.26739739
  H     17.85552977     11.88636224    -14.75939515
  H     11.57314872      9.68378628    -12.15991194
  O     15.14947542     11.27703147    -11.80341985
  H     16.55484119     11.04896830    -14.79597189
  H     17.53518292      8.36150386     -9.86765756
  O     16.53606287     10.71112845    -17.69629655
  H     12.17837152      6.34841248    -16.13801134
  H     18.50972152      8.16528148    -11.06054099
  O     17.72606092      8.23386698    -17.04606703
  H     12.70361916      6.81728853    -14.76192560
  H     12.05522205      7.49622245    -12.55082389
  O     15.68081559      6.72686816    -16.09631262
  H     15.91776705      7.86268562     -7.95115421
  H     13.22107032      6.50317427    -12.45639794
  O     19.27024206      8.85721726    -14.67427690
  H     15.28939830      8.36105604     -9.26611923
  H     18.88786452     11.47745278    -12.90714256
  O     14.55028765     13.09894260    -15.46636052
  H     15.21766473      6.47972403    -10.47089107
  H     20.14078326     12.07763117    -13.59126394
  O     15.59347318      9.73030332    -14.03136823
  H     14.42775298      7.58884757    -11.13028289
  H     19.17771229      7.78327201    -13.34277884
  O     11.48955004      8.98068786    -11.48877009
  H     15.31859768     10.71724661    -12.57807202
  H     19.73152708      6.53754154    -12.60916231
  O     18.24941240      8.77822737    -10.36246438
  H     14.58963943     12.00037338    -12.10811546
  H     13.58056023     11.52027348    -18.49948499
  O     12.49703093      6.78351163    -13.02886235
  H     16.92874355      9.83695950    -17.58487640
  H     14.84498662     11.04500991    -17.74340032
  O     19.36089216     11.55634237    -13.75728792
  H     16.80891719     11.20851175    -16.91195878
  H     13.12152501      9.18215164    -10.61341227
  O     19.01332803      7.16413551    -12.60685908
  H     18.21641979      7.69592338    -17.66326519
  H     14.44596167      9.97872843    -10.79034781
  O     13.90223122     11.27060597    -17.63798261
  H     16.96964387      7.69555951    -16.75323378
  H     13.20782511     14.07106003    -12.78879784
  O     14.05024092      9.21167587    -10.35132323
  H     14.71833063      6.73958795    -16.09514152
  H     13.81101967     13.19153954    -13.90841180
  O     13.42933037     13.17126877    -13.01190841
  H     15.93899442      6.72670694    -15.16214231
  H     13.03463072      8.73756013    -15.69888119
  O     13.21209311      9.66035560    -15.47801793
  H     19.31140935      9.79628494    -14.45519612
  H     13.37714541     10.15174901    -16.29346074
          69
 Energy    -248.53779888944555     
  O     15.20264255     14.08684398    -10.05955020
  H     15.81337496     14.07688191     -9.31406843
  H     15.23170517      9.56331216     -7.35030734
  O     19.51026468      6.48758761     -6.52401314
  H     14.51366044     13.44423102     -9.83680703
  H     19.26349916      9.00090407    -11.84550964
  O     17.16340114      5.18618597     -6.93418689
  H     19.55688405      7.01419252     -7.33533385
  H     19.97688445     10.15203087    -11.10925747
  O     12.46711906      9.33286601     -8.93845938
  H     19.35046700      7.12110496     -5.81425250
  H     15.52047730     13.83970368    -11.75207294
  O     17.53018387     11.57544764    -12.39685959
  H     17.22446758      4.24039711     -6.83515384
  H     15.49962471     14.37116950    -13.20375369
  O     19.33451527     12.51510993     -8.45914946
  H     18.05428952      5.54660066     -6.77263950
  H     18.62960998      8.53674636     -3.73473559
  O     17.81010214      8.93911562    -13.09810739
  H     12.66216126      9.14025228     -9.87440471
  H     17.65590885      8.13716884     -4.86769997
  O     16.48559536      7.09139221     -8.89052767
  H     11.55997141      9.07932545     -8.79088242
  H     13.98909872      8.50167750    -11.59713387
  O     16.38400530     10.96258836     -7.55296945
  H     16.95848465     12.33196292    -12.58394981
  H     13.22602325      9.78122317    -12.01920622
  O     13.63025910     11.82996597     -9.66698812
  H     18.34812042     11.88670968    -11.98494202
  H     15.86626957      9.66571192    -10.56957232
  O     16.80739340     13.67559153     -7.72785075
  H     18.55628177     13.03675362     -8.23127816
  H     16.58618498     10.98594822    -10.91482746
  O     14.75614690      8.72154002     -7.40021151
  H     19.33852857     11.76005245     -7.85577895
  H     18.89611335      9.73050468     -6.04285755
  O     19.88006614      9.19259489    -11.12895543
  H     17.88040094      8.80697326    -14.04037443
  H     19.06175508      9.50873203     -7.56578249
  O     15.66899552     13.59105094    -12.68249098
  H     17.66492846      9.89089886    -12.95746119
  H     18.18837652      7.83920905     -8.85915719
  O     18.54188794      8.49753397     -4.68324179
  H     16.66471894      6.32273766     -8.33495289
  H     19.42773063      8.46821077     -9.57749049
  O     13.13534689      8.95018680    -11.53282275
  H     15.86693147      7.64911692     -8.39701314
  H     16.06975840      7.52409525    -10.61082533
  O     16.06337521     10.54879240    -10.23276849
  H     16.34864048     10.81575291     -8.51225756
  H     16.49564989      8.15423618    -11.98752092
  O     18.95277459     10.19369991     -6.88733431
  H     17.26013539     10.67982924     -7.25485008
  H     20.70521224     12.56872527    -11.26395890
  O     19.08876000      8.16198960     -8.72461964
  H     14.46615775     11.39631091     -9.90290492
  H     19.71844063     12.25394546    -10.11668702
  O     15.75365229      8.00442082    -11.38919529
  H     13.08709791     11.13510508     -9.28036367
  H     15.54844118      7.82936614     -5.94505913
  O     19.90948951     12.08584293    -11.05685156
  H     16.63068612     14.14146174     -6.91375061
  H     16.37846752      6.53998471     -5.79694323
  O     16.15414154      7.36650026     -5.35171205
  H     16.54583325     12.75049424     -7.58167342
  H     14.18101330     12.18924476    -12.74650855
  O     13.47636154     11.58897354    -12.48537749
  H     13.92678687      8.88838038     -7.86437705
  H     13.32911114     11.78199061    -11.54906554
          69
 Energy    -248.53774576224569     
  O     14.77975001     12.26659588    -11.46984176
  H     15.56069572     11.69719023    -11.50050888
  H     14.56113536      6.52675005    -15.19229939
  O     16.58947809      5.94238613    -11.39337026
  H     14.65213825     12.45875875    -10.53366996
  H     11.39307329     10.66538797     -9.08740893
  O     13.22573130      4.64817499    -10.89656018
  H     16.19739190      5.29586458    -11.99348178
  H     11.96566922     11.26294773    -10.39040009
  O     18.67236177      7.15169868     -9.89400366
  H     16.02922797      5.95433967    -10.60447980
  H     15.93749669      8.67611806    -15.98974267
  O     16.89465704      7.62200686     -7.69091315
  H     13.82704006      4.42955045    -11.62044302
  H     15.94005892      8.11917556    -14.55696767
  O     16.82639320     10.36465587    -11.08667593
  H     13.78233257      4.95737114    -10.17296511
  H     19.25247372      8.73956241    -10.43777686
  O     14.25246393     12.30289891     -8.60351680
  H     18.15967958      7.27551721     -9.08575046
  H     20.33560049      9.65320811    -11.03856653
  O      9.80077764      8.03057550    -10.92930004
  H     18.10467091      6.64372115    -10.48729191
  H     15.66694247      6.33350764     -8.48026804
  O     15.45842350      9.77407412     -8.67320608
  H     17.15712778      7.75369429     -6.78315150
  H     14.33236714      6.70707164     -9.14086161
  O     13.49829835      8.28498526    -12.08462614
  H     16.45357179      8.44041245     -7.97410466
  H     13.26496759     11.46349245    -12.04834854
  O     10.79013978      5.49138771    -11.71606263
  H     16.41023697     10.13458169    -10.24560942
  H     12.89605372      9.96714442    -12.11676586
  O     13.97925300      5.82557363    -14.86489199
  H     17.78095605     10.24293803    -10.97550544
  H     11.28391054      6.48251859    -13.20121341
  O     11.83293151     11.44304037     -9.45001300
  H     13.34644026     12.03033458     -8.83839647
  H     11.16161711      7.90695587    -13.81812420
  O     15.68946892      7.91456498    -15.47249671
  H     14.17433141     13.08614016     -8.06599981
  H      9.79672077     10.13918779    -13.78794604
  O     19.43921879      9.65297034    -10.71487591
  H     10.10893517      7.14294207    -11.15293646
  H     11.08645875     10.14125711    -12.93779565
  O     14.99082911      5.99693849     -9.07942634
  H      9.90238721      8.56880327    -11.72306423
  H     10.17029645      8.73585500     -7.88079356
  O     12.51576622     10.85793309    -12.14588659
  H     14.68558100      9.24068519     -8.91241863
  H     10.33490670      8.63409443     -9.41780839
  O     11.66723528      7.08565902    -13.85342337
  H     15.13590729     10.67364790     -8.53327547
  H     14.68501337      4.78049209    -13.70778769
  O     10.37428817      9.57450797    -13.28050285
  H     12.96883769      7.78859555    -12.71864591
  H     15.31743845      3.39615927    -13.42884501
  O     10.75299462      8.96134965     -8.60030866
  H     14.41710607      8.27284155    -12.38504600
  H     12.45363777      8.38742104     -9.04554832
  O     15.07121124      4.21731076    -13.01209999
  H     11.65573531      5.20382269    -11.37491782
  H     13.31439231      8.16823651    -10.33687844
  O     13.32902006      8.14631554     -9.36749132
  H     10.23657058      4.71488901    -11.73905952
  H     16.40636260      7.49009219    -12.31645304
  O     16.16130462      8.30114553    -12.78309805
  H     13.12918264      6.24005965    -14.67503995
  H     16.45222362      9.05261326    -12.24874449
          69
 Energy    -248.53771335762144     
  O     11.72444501      8.87061143    -15.54084408
  H     11.87673484      9.82222759    -15.50155518
  H     17.16856009      6.38261315    -14.27143777
  O     16.71356765      7.29498016    -12.72828550
  H     11.47750528      8.58244346    -14.65337647
  H     20.30914482      8.22040739    -13.23921984
  O     16.29410105     11.76058594    -12.33638245
  H     17.17640624      8.04654766    -12.33598234
  H     19.73745187      9.39135276    -14.04648279
  O     16.87893569     11.04020305    -14.95740866
  H     15.98491185      7.08925397    -12.12709378
  H     14.99298869     10.60076139    -17.42810806
  O     14.44450406      5.10924270    -15.30002074
  H     16.19658325     12.23534118    -11.49844564
  H     15.57714415     11.45983901    -16.29185365
  O     14.40117929     10.41814777     -9.18418957
  H     15.39929639     11.49098162    -12.59080038
  H     14.79666001      8.34641721    -15.16746790
  O     14.64468731      7.08510222    -10.89557279
  H     16.35924287     10.22268945    -14.89325545
  H     15.74661027      8.23859446    -13.93239496
  O     13.83501082     10.79533150    -13.20208285
  H     16.80411866     11.47110108    -14.09549924
  H     10.27984163      7.33439447    -12.80835867
  O     17.62459241      8.05246699    -17.01012160
  H     14.18898815      5.90924424    -15.79288835
  H     11.78190287      7.01429706    -12.98825800
  O     16.50553532      8.46375247     -9.25791980
  H     14.13260481      4.36362797    -15.80738721
  H     13.66132354      6.05499684    -12.18132387
  O     19.28093382     10.03651957    -15.71575207
  H     13.73127382     10.03281335     -9.76225518
  H     13.58994278      5.53476661    -13.64593210
  O     17.16619392      6.02698040    -15.17059066
  H     15.09126913      9.74932783     -9.09637675
  H     17.29798512     10.33512953    -11.74794467
  O     19.89185783      9.07459055    -13.14462121
  H     14.00598938      7.80532007    -11.00722444
  H     18.59793500      9.48627226    -11.95436656
  O     14.82404498     11.38524520    -16.89141861
  H     15.25249890      7.38172244    -10.20702912
  H     15.49473623     13.43972050     -9.24268356
  O     15.25106446      8.85434598    -14.48667850
  H     14.27703246     10.05112378    -13.64277458
  H     15.19908854     11.96520927     -9.56774602
  O     11.12875984      7.73773073    -12.97153199
  H     13.30125486     11.22554740    -13.87979787
  H     15.54526334      8.85936168    -19.20466587
  O     13.05666669      5.83665332    -12.90135992
  H     17.50441801      7.31076502    -16.39809037
  H     16.24231231      8.63312959    -17.84069810
  O     17.77712962      9.55143281    -11.44584828
  H     18.28567546      8.63161929    -16.61865843
  H     12.10906413      8.73524505    -11.69022229
  O     15.70630812     12.74288299     -9.85725516
  H     17.01861895      8.87277127     -9.97565410
  H     13.16626137      9.83699197    -11.85731644
  O     15.42414053      8.95485120    -18.26387388
  H     17.12153105      8.27195522     -8.55544159
  H     13.30315199     11.57513329    -16.05478194
  O     12.82122659      9.18918406    -11.22416123
  H     18.44501083     10.47674853    -15.47941894
  H     12.01519519     12.39832820    -15.81484297
  O     12.49595445     11.63297359    -15.51213264
  H     19.78609011     10.66179280    -16.22968628
  H     14.27482432      7.94970075    -17.20876555
  O     13.83592915      7.46884965    -16.49685154
  H     16.31548304      5.58050509    -15.25545725
  H     13.02654739      7.94376674    -16.24817375
          69
 Energy    -248.53732909063768     
  O     19.41409410     11.50903115     -9.95855257
  H     19.50003365     10.79420680     -9.30414100
  H     17.49683959      9.91958469    -12.05038772
  O     18.75377279      6.77142462     -9.20105516
  H     19.13835617     12.28539704     -9.47816489
  H     22.17563152     10.18130744    -10.63781207
  O     19.55706468      3.74231082    -11.81375443
  H     19.06122152      7.27579598     -9.97238031
  H     21.14570236     11.29479426    -10.86288563
  O     20.41930489      5.95873219    -13.28882551
  H     19.44240828      6.10738541     -9.05267204
  H     18.53745606      6.88918643    -16.10008583
  O     22.01313276      8.57084764     -9.75544882
  H     19.42018113      2.80329934    -11.90860910
  H     18.97740487      7.86266154    -14.97787383
  O     17.34267662      5.10453473    -11.02751812
  H     18.70568331      4.12532329    -11.53820994
  H     20.51429390      4.44382869    -10.22625072
  O     22.94407367      7.02076994    -12.84415443
  H     20.14550707      5.13094115    -12.87347717
  H     21.67198484      5.31396152     -9.70272274
  O     19.84140252      9.40842344     -8.24607719
  H     19.81139347      6.15859912    -14.01090137
  H     13.51736774      5.74350430    -13.95823003
  O     13.80762377      6.93698078     -8.90960493
  H     21.28658041      8.37354820    -10.36909702
  H     14.81350124      6.24515975    -13.28108699
  O     23.30239953      6.13760952    -10.30084231
  H     22.58280654      7.79482370     -9.77077762
  H     15.06278271      8.91545740    -11.62986176
  O     19.83264994      7.96950082    -11.39572461
  H     16.41322879      4.93253273    -10.81092975
  H     16.25672329      8.18032341    -12.27378786
  O     18.39436447     10.23366772    -12.23315480
  H     17.71837138      5.65768530    -10.33218171
  H     16.94045612      6.09097909    -12.52123229
  O     21.96137283     10.92600650    -11.21861976
  H     22.13095106      6.57098211    -13.11428481
  H     17.24730494      6.73392363    -13.91963179
  O     18.59660985      6.98110093    -15.15328963
  H     22.82903740      7.94265671    -13.10263735
  H     22.99254744     10.24461267    -14.12371627
  O     20.80881444      4.95396587     -9.46337701
  H     20.71526458      9.14496321     -8.57193025
  H     22.21222283     10.20709548    -12.79254246
  O     13.87801279      6.03382405    -13.12441704
  H     19.32896469      8.59584348     -8.24060408
  H     17.10286905      7.58063703     -8.95049568
  O     16.02566336      8.94194786    -11.72488329
  H     14.69198445      7.34379913     -8.85832390
  H     16.26253741      8.43101885     -9.92928452
  O     16.57640515      6.63545378    -13.23397284
  H     13.41255484      7.02707169     -8.04702302
  H     13.35644990      7.88303669    -10.53206399
  O     22.35985435      9.73009550    -13.62813020
  H     24.18459607      5.79761690    -10.17839927
  H     13.36678165      7.55734492    -12.03375553
  O     16.26515644      8.04970010     -9.04077031
  H     23.24106821      6.43271754    -11.22753856
  H     19.17937694      9.80546034    -13.82806352
  O     13.36240623      8.29174732    -11.40715571
  H     19.37899146      8.72801858    -11.78254549
  H     20.61171758      9.46001733    -14.29087682
  O     19.68055980      9.34659267    -14.51716321
  H     20.04040229      7.33722967    -12.09392364
  H     14.31900535      5.47168259     -9.96932498
  O     14.66255103      4.85414140    -10.62850635
  H     18.67669797     10.77002497    -11.48151392
  H     14.26324323      5.11961207    -11.46588594
          69
 Energy    -248.53726230140433     
  O     -5.25572388      2.69807115     -1.82804566
  H     -4.33405516      2.38443756     -1.78743106
  H     -0.20432643      2.61237094      0.52503467
  O     -2.94896446      1.59869386      7.15278873
  H     -5.51359448      2.66232020     -2.74531129
  H     -5.30124616      6.41132499      2.87891014
  O     -6.08113660      6.80356494      1.27785220
  H     -2.34359887      1.52221139      7.88548544
  H     -5.25648700      5.25080461      3.89540964
  O     -0.61029673      3.77487328     -0.88581502
  H     -2.42214006      1.43740810      6.35291352
  H     -3.42018307      0.19665144      0.79061893
  O     -1.72263303     -0.03615924      0.16707687
  H     -5.67448425      6.08493764      0.76684387
  H     -4.05180314     -0.10661073      2.16642041
  O     -4.15423058      2.94966798      2.10250449
  H     -6.14765768      7.54433039      0.68056388
  H     -6.52835406      0.45850000      3.90033178
  O     -5.96321731      3.49873584      4.13113724
  H     -1.11753149      4.48128012     -0.44628093
  H     -5.86033597      0.62730360      5.27440028
  O     -4.74835060      4.70688689      0.05727518
  H     -0.00394173      4.20348066     -1.48379856
  H     -6.04708542      2.16550815      7.31754088
  O     -2.11916930      5.65547435      0.32869338
  H     -1.19271163      0.66979461      0.56792430
  H     -4.62472120      1.90505115      6.77226402
  O     -2.65760559      1.92182604     -1.65084007
  H     -1.58646728     -0.81964361      0.71329680
  H     -1.69325373      4.40375580      3.29426417
  O     -6.59913036      1.26169108      0.29388285
  H     -4.24438876      2.03416800      1.80971466
  H     -2.57414990      3.25859302      2.76150642
  O     -0.23816494      2.03778485      1.30011262
  H     -4.76701128      3.10459156      2.83420435
  H     -7.29406149      1.56518767      1.86720076
  O     -4.80093491      6.05768577      3.62856631
  H     -5.79526983      3.07311874      4.98148244
  H     -8.55381755      1.55920266      2.75739570
  O     -4.23450922      0.28404234      1.30252840
  H     -6.64390499      2.97564034      3.68548975
  H     -2.85835854     -0.04351895      4.15776736
  O     -5.94149190      0.02074511      4.52761279
  H     -4.99042616      4.13542817     -0.68036117
  H     -4.31988738     -0.58847869      4.10750710
  O     -5.55196131      2.04061014      6.51184994
  H     -4.55249596      4.11484799      0.79994790
  H     -0.86945286      0.74454019      4.40966280
  O     -1.72413151      3.44623353      3.19130888
  H     -3.04104450      5.42151451      0.15446018
  H     -1.68991874      2.05336531      4.32894140
  O     -7.60619798      1.66415563      2.78385714
  H     -2.07872858      5.91126638      1.25727485
  H     -2.21739572     -1.65778324      2.79936100
  O     -3.42234024     -0.72630395      3.76908199
  H     -2.35316970      1.12525447     -1.19922224
  H     -1.51364287     -2.93888297      2.30039141
  O     -1.63476087      1.20207676      4.78614516
  H     -1.98499956      2.59107357     -1.47394597
  H      0.33635962      0.66981628      2.54826552
  O     -1.50551709     -1.98802337      2.22548542
  H     -5.82453339      0.75351361      0.57868009
  H     -0.13855566     -0.75831004      2.88523812
  O      0.31617243      0.00891367      3.25322929
  H     -6.29004773      1.78856922     -0.45062868
  H     -1.80281296      6.98073314      3.59735528
  O     -2.14397899      6.20936876      3.15368804
  H     -0.69414887      2.55007060      1.98343236
  H     -3.09682835      6.16968675      3.35650248
          69
 Energy    -248.53716564218621     
  O     12.70632671     10.73431897    -14.40187116
  H     12.61604935      9.98524041    -15.00283710
  H     11.84446608      3.85504278    -14.68397931
  O     15.90486991      8.30751806    -10.60210852
  H     13.65181585     10.92428774    -14.33663854
  H     14.87834397      7.90602136    -13.52647235
  O     14.48979976      4.73828226    -13.64960430
  H     15.52108713      9.19711035    -10.63209837
  H     14.20100358      6.50734740    -13.63358142
  O     12.69247767      2.52558087    -11.36701191
  H     15.22371977      7.74024102    -10.21425538
  H     11.21562502     11.29272505    -11.63702068
  O     16.50220432      8.72272313    -13.28134866
  H     13.61444542      4.34748308    -13.76361894
  H     12.09945388     10.69974568    -12.76240383
  O     14.67136880     10.73810528    -11.12109953
  H     14.73719902      4.59924844    -12.72585562
  H     17.78960132      6.18335211    -13.06656938
  O     11.75466027      4.71654968    -16.26892162
  H     12.41632196      2.80236819    -12.25720912
  H     18.99992818      6.35557736    -14.01140763
  O     10.77736283      4.33612399    -10.20084871
  H     12.64702101      1.57255932    -11.35091288
  H     15.51237809      5.14138624    -15.08245044
  O     15.46848400     11.17462241    -13.88322915
  H     17.11789758      8.04997555    -13.59645440
  H     16.79022460      5.94048674    -15.32229837
  O     12.00780231      5.53433947     -8.05088850
  H     16.37502556      8.58417564    -12.32952239
  H     14.46909869      5.12631243    -10.49090038
  O     13.80784985      6.65617907     -9.76864878
  H     13.70959825     10.72367745    -11.19286237
  H     14.19717104      3.66027690    -10.92712085
  O     11.91469032      3.69659023    -13.73138424
  H     14.97938793     11.05533109    -11.97795740
  H     16.54410790      5.22041230    -11.20673353
  O     14.02738416      7.45735703    -13.58911058
  H     12.50080908      5.17183506    -16.67623515
  H     16.91477778      6.70279563    -11.02419538
  O     11.87319635     10.62670978    -11.81751698
  H     11.12336458      5.40814227    -16.03391203
  H     14.16819290      6.22741668    -18.27485495
  O     18.05980946      6.50216401    -13.94739715
  H     10.52265195      4.84235020    -10.98133248
  H     14.70596845      6.10443101    -16.83325339
  O     16.01084150      5.60177966    -15.77447702
  H     11.38243177      3.65259935    -10.51357356
  H     11.95477071      8.80230362    -11.60266000
  O     14.86124261      4.35932412    -10.93550334
  H     16.12811133     11.77862386    -14.21487505
  H     12.85037091      7.76031394    -12.32569320
  O     17.20496596      5.88277919    -11.44355945
  H     15.91176455     10.31846286    -13.75560342
  H     13.06963689      7.98953921    -14.95518500
  O     13.91868874      6.32966267    -17.35999011
  H     11.49644336      5.10955101     -8.76054726
  H     12.99856937      7.71938064    -16.46295555
  O     12.16597153      7.86223534    -11.64515060
  H     11.49169496      5.43553229     -7.25605778
  H      9.45478565      7.37845059    -15.67244335
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  H     10.97795147      7.47200148    -15.42920310
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  H     10.26923363      6.21436630    -13.49071096
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  H     11.42457481      4.41414921    -13.30239384
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          69
 Energy    -248.53682161454992     
  O     10.83611781     10.41195778    -11.62494393
  H     11.66715494     10.84334167    -11.86108373
  H     19.03816260      6.58253081    -16.57441872
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  H     16.16083835     12.11555371    -14.10927647
  O     17.47912959      9.23499807     -9.94984238
  H     13.16365928      8.78131672    -15.38190798
  H     15.73803535     13.57680524    -13.84113099
  O     18.10482680      9.66381937    -16.86190734
  H     13.48022612      7.32527235    -14.93431076
  H     16.25330821      9.51432605    -14.11136381
  O     12.26205154     10.28107412    -14.91651760
  H     17.53272367      8.27004063    -10.08381920
  H     15.09175174      8.51479306    -14.43707933
  O     15.19504024      5.06337505    -10.42345945
  H     17.84744078      9.41663011     -9.08974215
  H     10.21014625      7.95533252     -9.73397651
  O     13.16915567      6.20693145    -13.51334121
  H     18.49383387     10.10651317    -17.61145823
  H     10.84101732      8.88130353    -10.80146166
  O     14.99989311      9.39091727    -11.25763467
  H     17.15391001      9.55781567    -17.05756329
  H     16.99779673      7.49326155    -13.48617885
  O     15.47598411      9.47976705    -17.24490032
  H     12.63822747     10.58358013    -14.07784367
  H     18.21723075      6.85625443    -14.20435776
  O     15.58806471      4.88301947    -13.26895454
  H     11.33706747     10.06413907    -14.74978704
  H     11.31712360      6.62802230    -13.40733936
  O     17.43570878     10.92157287    -14.42172899
  H     14.82571102      4.40567055     -9.83992520
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  H     17.72653833      6.59146237    -11.52524073
  O     10.83524010      7.97109033    -10.45342611
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  H     16.80754467      6.03134514    -10.41887615
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  H     14.56012773     12.20409145    -15.66491368
  O     18.77663858      9.53004575    -12.48724815
  H     14.91034245      8.81477597    -16.83495797
  H     13.98121484      7.95961557    -10.91480351
  O     17.55960684      6.61574525    -10.57288265
  H     16.37349628      5.42210322    -13.41253938
  H     12.55912941      7.39874135    -10.60576965
  O     14.13692555     11.76064480    -16.40834217
  H     15.51426730      4.78614978    -12.31074596
  H     14.02346240     11.85712564    -12.96460100
  O     13.45952927      7.14697576    -10.84593058
  H     17.99803447     10.54147734    -13.72828609
  H     13.91724331     10.65928906    -11.99428296
  O     13.39225225     11.26598148    -12.53544653
  H     17.75391072     10.59403065    -15.27194778
  H      9.94987984      8.56512473    -13.83788616
  O      9.72076574      9.47668400    -14.09474427
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  H      8.85733943      9.44348808    -14.49674531
          69
 Energy    -248.53681975288174     
  O     14.05601603      9.45920208    -10.57743635
  H     13.89017516     10.02289255    -11.34690329
  H     15.53708296      4.91630084    -16.67467642
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  O     16.78105740     10.98278791    -13.12850379
  H     13.61996497     11.54313827    -16.01215795
  H     11.46756787      7.16556947     -9.99504123
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  H     18.55731072      7.79615527    -14.26087076
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  H     18.77812754      7.38070237    -12.79197418
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  H     15.83374705     10.84603667    -12.99689817
  H     14.68136181     13.06960989    -14.88506022
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  H     13.36003349     13.86696857    -14.75553862
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  H     13.77273770     11.61624468    -13.45322499
  H     13.85160976      6.37336878     -9.64003719
  O     13.09348183      8.73335267    -14.64970042
  H     13.63015500     10.07589354    -13.54500193
  H     16.28040238      4.66669367    -12.30225235
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  H     17.94891092      7.69376276    -10.24936101
  H     15.55001224      5.93100285    -11.81915435
  O     11.72775949      6.69592515    -13.16505883
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  H     18.62358884     11.49238211    -10.21374548
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  H     17.38076434      9.80602452    -15.96718863
          69
 Energy    -248.53681344722668     
  O      1.28101380      2.37958832      2.48088740
  H      0.36957439      2.35817676      2.80513016
  H     -1.59460975     -3.66555494      3.62845654
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  H      1.71914357      1.59004791      2.81710560
  H     -4.59655273      1.91019712      4.53774941
  O     -1.48177712     -1.95431356      4.41978386
  H      1.10885364      2.89797934      0.81809170
  H     -3.96467093      0.61123655      3.98115714
  O      1.02780972     -3.64169998     -2.66244452
  H      1.35657023      3.97807444     -0.26168446
  H     -2.87176184     -0.68686883     -0.06355450
  O     -2.35440308     -1.26110197     -3.56924126
  H     -1.64986941     -1.32904931      5.13895944
  H     -2.73651057     -2.13952122      0.50121545
  O      0.51526388     -1.10854592     -3.45593288
  H     -1.25067943     -1.43176343      3.63486549
  H     -1.99551098     -3.78406094     -1.46282126
  O     -1.48208802      2.14912748      2.90572762
  H      1.55737604     -4.09297054     -3.31412830
  H     -0.90684406     -3.81640283     -2.55082194
  O     -2.09769559      0.38519470     -1.31524294
  H      0.91811584     -2.72504349     -2.97469220
  H     -1.08236576      0.46146661      2.43047379
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  H     -2.26062081     -2.14195000     -3.16361338
  H     -1.70125648     -0.72503492      1.63379319
  O     -4.07971432     -0.97669497      3.27714904
  H     -2.97755748     -1.35210905     -4.28477481
  H      1.25196159     -2.56925509      0.35051308
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  H      0.44871272     -2.18211001      4.49148442
  O     -3.76653628      1.45399894      4.42933373
  H     -1.75567535      2.42928506      2.01655972
  H      1.46094571     -3.06375625      3.74586136
  O     -3.11899824     -1.26590179      0.67039526
  H     -2.27533246      2.04026615      3.44129135
  H      0.56664579     -0.77028124      1.34495711
  O     -1.84987381     -3.66760054     -2.41085393
  H     -2.29989723     -0.08132320     -2.13607114
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  H     -1.57025553      0.66412416      6.78118097
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  H      0.83799426      1.54092715     -0.99890437
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  H     -3.92141511     -1.08034553      2.32793133
  H      2.20937391     -0.80632566      3.68951191
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  H     -1.86685006     -4.02587148      1.29825881
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  H     -0.82523837     -3.56507929      0.26673770
  O     -1.77629568     -3.66995109      0.40260692
  H      1.28162391     -4.27871345      1.71065748
  H     -2.15679965      2.01948773     -0.30827223
  O     -1.92830661      2.75192960      0.27761573
  H     -0.57767532     -4.62523170      2.99550748
  H     -1.02522305      3.00450981      0.04698533
          69
 Energy    -248.53668509697525     
  O     13.78575402      4.06607848    -11.09068436
  H     14.01549442      4.58889367    -10.31365668
  H     12.35479244      9.38611867    -14.05904031
  O     15.49384758      9.03700249    -15.25613710
  H     14.59223746      4.00501038    -11.61962271
  H     16.80280416      9.44982255    -10.42655119
  O     17.48872548      9.85673876    -13.52650586
  H     15.38391214      8.08389525    -15.17574480
  H     17.16680021      9.13634393    -11.90863584
  O     16.49782236     11.01643715     -9.50138235
  H     14.66066303      9.41737883    -14.94712922
  H     15.28745773      8.31238483    -11.78808971
  O     10.95366942      8.24827309    -14.34232890
  H     16.81982035      9.61926418    -14.18615043
  H     13.86281938      7.83300411    -11.43326475
  O     18.63514868      3.83079095    -13.78903215
  H     18.25723739      9.29522739    -13.68954864
  H     12.31503446      4.37585765    -11.92280184
  O     12.39012191      5.98438620    -14.71380004
  H     16.54779152     11.48433300    -10.35595255
  H     10.93720656      3.82915870    -12.36162294
  O     16.99640696      6.06815187    -10.46131693
  H     17.01230052     11.52090437     -8.87779562
  H     20.41910019      8.07970942    -14.05058677
  O     13.69952816     10.48006147     -9.83322259
  H     11.45607563      7.44048323    -14.55597325
  H     19.50295013      7.27198496    -13.10369987
  O     17.88078342      6.01578202    -15.21983208
  H     10.20463297      8.26987518    -14.93145387
  H     14.91640808      6.92731807    -13.50849311
  O     13.65264791     12.01351637    -12.29439538
  H     18.40585384      4.55572233    -14.39902490
  H     15.49488896      5.52204195    -13.71760818
  O     13.18712664      9.80543524    -13.80803903
  H     19.05235211      3.15065633    -14.31000408
  H     15.54706293     12.10033785    -12.20299263
  O     16.88860715      8.73731127    -11.07178357
  H     13.35294758      6.00904083    -14.67367909
  H     16.87918807     11.42187052    -12.62618876
  O     14.45901229      7.99774133    -12.17313780
  H     12.10274578      5.42135523    -13.98216152
  H     19.27447790      5.11698542    -12.49717466
  O     11.50258148      4.59512340    -12.41314690
  H     17.01489586      7.01733963    -10.65830580
  H     18.70659264      5.92324990    -11.31304622
  O     19.50514015      7.93009412    -13.82099852
  H     16.25765942      5.93945646     -9.85421244
  H     11.05688250      6.33431571    -11.81968799
  O     15.19560296      6.30582019    -14.19971018
  H     13.56764594     11.02361686    -10.61869879
  H     10.85334166      7.71872255    -12.45003472
  O     16.49007788     12.04658587    -12.00014355
  H     14.60837108     10.65306489     -9.55923265
  H     16.98147928      3.97135289    -12.90419221
  O     19.40936176      5.91772866    -11.97474317
  H     18.39813084      6.75490340    -14.87625804
  H     16.49033470      4.95160097    -11.80825957
  O     10.94397346      7.26933134    -11.60273520
  H     16.96186873      6.19816661    -14.99024634
  H     13.98715330      6.55568548     -9.22122321
  O     16.18868947      4.34057622    -12.49836473
  H     13.43471141     11.28611335    -12.90150881
  H     14.44212165      5.66135369     -8.04583303
  O     14.58044057      5.82419228     -8.97555396
  H     13.07692876     12.74062501    -12.51762051
  H     12.13787324      7.69186073    -10.34681640
  O     12.95033264      7.82753776     -9.83580855
  H     13.63195239      9.18956701    -13.20369398
  H     13.12384544      8.77812383     -9.75916333
          69
 Energy    -248.53667734824654     
  O     16.39253294     10.14406661    -16.74340029
  H     16.41505246      9.59792898    -17.53759265
  H     17.06196846      5.23542884    -12.14760094
  O     15.78625736      4.90077087    -13.30202438
  H     15.47454172     10.24846912    -16.45272894
  H     19.84825527     10.59873566    -16.16597992
  O     19.76814229      8.64307458    -13.95120950
  H     16.17048405      5.05641715    -14.17716778
  H     21.30942354     10.39766706    -16.63507484
  O     14.96154686      6.70968487    -17.40201936
  H     14.90209882      5.27909399    -13.33434245
  H     16.93013062      8.94028324    -15.46588245
  O     15.55991853     10.62103232    -10.28640601
  H     18.85153444      8.49615428    -14.23898811
  H     16.48653247      8.27754015    -14.12085720
  O     15.20597367      8.28006589    -12.89370801
  H     20.21049181      9.07593293    -14.69021546
  H     13.51275185      9.41149393    -15.58702373
  O     17.41012669     11.88750828    -13.23785274
  H     15.51159083      7.23895477    -17.99153846
  H     13.99257409     10.58451202    -14.68506995
  O     19.87509951      5.89916463    -13.52771714
  H     15.58465920      6.20613703    -16.85979923
  H     17.33815858      7.17760714    -10.89910550
  O     13.26694571      6.37562401    -13.51627823
  H     16.29122662     11.24512815    -10.19083868
  H     16.30362354      8.11951228    -11.52402926
  O     19.66135963      5.33301666    -16.17015352
  H     15.95845947      9.74653533    -10.21333434
  H     13.62083825      7.27529212    -16.50540875
  O     16.91979271      5.69825338    -15.71560396
  H     14.90205611      9.19751557    -12.93251434
  H     12.11793372      7.64056596    -16.53190084
  O     17.80719733      5.44656768    -11.55727760
  H     14.46115877      7.68464967    -13.02962297
  H     18.39709607     11.43460270    -10.76918643
  O     20.54299599      9.93055979    -16.31454037
  H     17.83731369     11.08247393    -12.90934964
  H     18.56959607     12.57748134     -9.74825213
  O     17.18149139      8.29415756    -14.79308064
  H     17.46437011     12.48933852    -12.48959374
  H     19.29992505      9.51586109    -12.43629159
  O     13.90674378     10.29097583    -15.60047391
  H     19.97108422      6.86110337    -13.57687130
  H     18.19783166      9.27015776    -11.36916851
  O     16.97030969      8.06584016    -10.82108002
  H     19.21501637      5.72883385    -12.84653064
  H     19.42425512      6.95780663    -17.16947281
  O     12.87758854      7.58904831    -15.95720519
  H     12.43023601      6.14354472    -13.12080122
  H     19.70413830      8.48037406    -17.22766447
  O     17.95679360     12.20983708    -10.37982433
  H     13.07169852      6.74838083    -14.39180024
  H     15.57401874     11.35317324    -13.21859321
  O     18.79044170      9.94269116    -11.73506718
  H     19.78383093      5.48779064    -15.21590730
  H     14.81571227     10.92956138    -11.95778693
  O     19.21792271      7.76497994    -17.65523127
  H     20.24646598      4.61958016    -16.40940154
  H     18.20568022     11.88699456    -14.96564300
  O     14.73220728     10.98079146    -12.92251722
  H     17.79898596      5.39380861    -15.96671274
  H     17.75560380     11.21756679    -16.26939075
  O     18.51538451     11.64467957    -15.84604493
  H     17.03584073      6.61302503    -15.41264071
  H     17.69178269      8.07767960    -18.43164139
  O     16.82744558      8.30271083    -18.82208808
  H     17.92077740      4.69107118    -10.98540971
  H     16.97420725      8.43295045    -19.75493829
          69
 Energy    -248.53653981776290     
  O     -3.94667737      5.12649854      1.60010066
  H     -3.70258253      6.05891077      1.47694754
  H      2.18487758      7.97576120     -3.93326397
  O      1.64657531     10.04789449      1.85927251
  H     -4.81705356      5.12183636      1.99136659
  H      0.92910904      2.64845554      3.21375023
  O      0.20862817      8.72592750     -1.47829839
  H      1.17958341     10.52834305      1.16410203
  H     -0.16450256      3.61349091      2.69189830
  O     -0.23122857      9.80167003      3.80253992
  H      1.78756833      9.15643522      1.51139052
  H      0.77393121      5.86934856     -3.65035715
  O     -2.07509363     10.39265772      1.68387294
  H      0.11970938      9.60664135     -1.09375029
  H     -0.31320914      4.79954048     -4.02000832
  O      1.47139750      7.46400312      0.73034471
  H     -0.68101737      8.34402480     -1.51602569
  H     -2.46909406      2.56012677     -2.10148844
  O     -2.15798566      7.33565371     -1.35865166
  H      0.02031850     10.17874137      4.64069060
  H     -1.25919904      1.77307780     -2.64601760
  O     -2.95661667      7.68432599      1.24436633
  H      0.51272015      9.94748477      3.18959939
  H      1.50393082      2.44752284     -1.85128326
  O     -0.60152423      5.15119614     -0.92097632
  H     -2.56205784      9.57370432      1.53394178
  H      1.61807347      3.82146856     -2.52724634
  O     -2.85419480      3.64912704     -0.54746372
  H     -1.57922743     10.26411847      2.50274558
  H     -1.11553465      5.59832811      2.97545699
  O     -1.00159800      1.66318995      0.50539008
  H      1.09538944      7.78153515     -0.10152437
  H     -2.33282058      4.72004731      2.61914006
  O      1.35211092      7.56132550     -3.72067695
  H      1.73341029      6.54071578      0.61342373
  H     -2.22219339      3.97377967     -5.57855732
  O      0.57248463      3.03627994      2.41904230
  H     -2.80223594      6.92645181     -1.95121224
  H     -2.01804287      3.45496295     -4.13302822
  O      0.45372637      4.97495098     -3.46200024
  H     -1.55588393      6.61237784     -1.11740742
  H      1.99059383      4.17579236     -0.30476915
  O     -2.06823559      2.22707130     -2.91357794
  H     -2.12182468      7.54715791      1.71751666
  H      1.48455042      4.10676946      1.17471624
  O      2.02012260      3.26290842     -1.84818380
  H     -2.75334531      7.64985432      0.29713373
  H     -3.63216248      4.85425654     -2.08821802
  O     -1.45444748      4.69182727      3.01159004
  H     -0.26666885      5.05335429     -1.82481721
  H     -3.16443871      5.18380497     -3.51278856
  O     -1.97488992      4.24777358     -4.69949993
  H      0.14897623      5.00892792     -0.33349878
  H     -0.47222523      8.06528091      3.17239387
  O      1.76388288      4.70888722      0.47425220
  H     -2.03450306      4.15701727     -0.67221811
  H      0.15099710      7.31224766      1.96543234
  O     -3.67706794      5.53125598     -2.77139669
  H     -3.33147920      4.07406773      0.17550154
  H      0.46869896      0.08011845     -1.83210671
  O     -0.56477246      7.28240831      2.61611714
  H     -1.72133865      2.27140705      0.30388678
  H     -0.16380166      1.17111664     -0.93524365
  O      0.25250527      1.00846299     -1.80105548
  H     -0.46001712      2.08751263      1.18290454
  H     -0.30027063     12.03151514     -0.39122611
  O     -0.15312187     11.13691037     -0.09607990
  H      0.99457325      8.04977953     -2.96273913
  H     -0.89412971     10.91032922      0.49396096
          69
 Energy    -248.53644431400764     
  O     15.25250236      9.36480210    -10.12493339
  H     15.13422467     10.10805078    -10.73418866
  H     12.18709905      8.23920790     -8.94543582
  O     13.57288886     12.11698675    -15.30231910
  H     14.38128217      9.00989730     -9.91219566
  H     17.24407931      7.28055901    -15.67719591
  O     17.42527196     10.37713084    -13.41702130
  H     13.95979484     12.74869242    -14.68341966
  H     17.94966785      6.56612588    -14.51080022
  O     12.64979787      6.22399165    -13.37241432
  H     13.16319880     11.43193600    -14.75891511
  H     15.90717134     13.44659283    -13.96862225
  O     16.98103571      5.92841979     -8.55579406
  H     18.06496630     10.05808230    -12.76994964
  H     15.18764834     14.60653675    -13.23690729
  O     17.18241482     12.73644171    -14.92949150
  H     16.60348917     10.56717273    -12.94476618
  H     13.37555204      9.35127921    -13.98603440
  O     15.78087717      7.56345603    -12.24230668
  H     13.26382120      5.61480402    -12.94853093
  H     12.20907149      9.54486952    -12.99594168
  O     14.99072815     11.17943614    -12.16566811
  H     13.18382350      6.73011559    -14.00123113
  H     15.41689509     11.72677968    -17.87964768
  O     18.45437380      6.93182419    -12.78056627
  H     17.06937236      5.47202416     -7.72295957
  H     14.84247634     11.67455945    -16.44467627
  O     19.21833380      9.30611766    -11.47552110
  H     16.04543443      5.85772948     -8.81519412
  H     11.73573743      7.39287904    -12.50936628
  O     15.84047676      4.32453266    -14.61825559
  H     16.78732252     12.38731048    -15.73819325
  H     10.35716116      8.01424527    -12.18162700
  O     12.77582607      8.07828664     -9.68000721
  H     17.45376844     11.96166171    -14.41754199
  H     14.47552961      5.28477433    -10.34546925
  O     17.47101296      6.40772218    -15.33717076
  H     16.72119943      7.43326111    -12.42630798
  H     13.82734902      6.44586158     -9.55247047
  O     15.12149680     13.67795365    -13.44027614
  H     15.69148612      8.13669782    -11.47351286
  H     15.21521001      4.60392182    -13.00161831
  O     12.85165312     10.02698924    -13.52476474
  H     15.03037706     12.10127759    -12.44814781
  H     15.22135011      5.87860086    -12.11720178
  O     15.62759804     11.47465575    -16.98456184
  H     14.22933807     10.78515992    -12.61533526
  H     16.87659500      4.64476077    -11.43689540
  O     11.29251733      8.11440805    -12.02469739
  H     18.37207317      6.18596831    -12.16590882
  H     17.58777449      5.18793444    -10.18895960
  O     14.42248699      5.69290341     -9.47044595
  H     18.90112089      7.65805667    -12.33179722
  H     14.87614761      7.86462777    -13.73361996
  O     14.94052889      4.94856555    -12.13662631
  H     20.06045460      9.66306604    -11.20677879
  H     15.08310815      8.35177055    -15.17573295
  O     17.74310958      4.88585997    -11.09301985
  H     18.74472340      9.05542589    -10.66145203
  H     16.88970673      8.93462256     -9.47838230
  O     14.40387618      8.05074068    -14.56128052
  H     16.39556957      5.05790775    -14.93384050
  H     17.60683298      7.65514144     -9.01679062
  O     17.76706839      8.55145352     -9.33456088
  H     15.98116199      3.60794161    -15.23087887
  H     16.98658760      9.48087767    -14.99293990
  O     16.64338938      9.10759125    -15.81796684
  H     12.23235288      8.10506839    -10.48282006
  H     16.34408000      9.85637462    -16.34764878
          69
 Energy    -248.53637194338739     
  O     13.32374352      9.69885325    -11.59061363
  H     14.20022853      9.89524404    -11.23564580
  H     15.41734075     12.93530472     -7.48628445
  O     11.03528005      7.07213217    -13.19472976
  H     13.43462392      9.21960210    -12.42054589
  H     11.61114712     11.78675254     -9.77869716
  O     12.02949944     12.10860847    -11.47678097
  H     10.84256775      7.22560454    -12.25301098
  H     10.58037843     10.93958214     -9.00377935
  O     15.58640650     10.09174576     -9.90317743
  H     10.58034535      6.26981272    -13.43744950
  H     13.01251563      8.53596410    -10.22056887
  O     16.08140235      8.31688922    -12.93820458
  H     12.73030121     12.73991589    -11.67469133
  H     13.23244029      8.58250194     -8.69873691
  O     13.88048172     15.34956773     -9.73660970
  H     12.41467361     11.22810534    -11.60658902
  H     14.74363718      7.35888381     -9.95471801
  O     10.54880356      7.52269293    -10.56124636
  H     15.83087815      9.16019739     -9.94638523
  H     16.03222905      6.51816318     -9.82064959
  O     14.26026917     13.70120782    -11.98505033
  H     14.94247656     10.18466588     -9.18642295
  H     16.24729344     11.52053751    -10.66073486
  O     16.12556356     13.80601210     -8.83164997
  H     15.24112395      8.14707220    -13.38815586
  H     16.84732081     11.90995745    -12.01905097
  O     12.59779147     13.82168153     -7.88421246
  H     16.01802320      7.87672722    -12.08400247
  H     10.40867716      8.73917385    -13.93400410
  O     14.44974188     12.04761155    -14.29824797
  H     13.34402424     14.84353151     -9.10060124
  H     10.98497703      9.95428215    -14.68376336
  O     14.91063188     12.50767989     -6.77267994
  H     13.65167250     16.26758471     -9.61868988
  H      9.59546693     10.65034833    -12.87899640
  O     11.36291955     11.49027829     -8.88885912
  H     11.34507513      7.49880248    -10.01690590
  H     10.27067516     11.67884026    -11.95436240
  O     13.09226391      7.97118745     -9.43346392
  H     10.04859352      8.29528006    -10.26888250
  H      8.27833878      9.90638199     -9.44651968
  O     15.66384900      7.28282319    -10.25622738
  H     15.05515730     13.22884684    -11.69745051
  H      9.20796738     10.34752157    -10.60311263
  O     16.54361176     12.28299392    -11.18349002
  H     14.10004325     14.38251053    -11.32012245
  H     13.27425756     11.02488228    -15.05421349
  O     10.18913956      9.62323667    -14.25071253
  H     15.47052365     14.44370927     -9.14228128
  H     12.66881987     10.58551282    -16.40572701
  O      9.45342812     11.17924935    -12.08081599
  H     16.44765991     13.35203928     -9.62049119
  H     17.68586125     10.74594914    -14.16653223
  O      9.18378394      9.88417413     -9.74425593
  H     12.02269648     13.09281107     -8.15069382
  H     16.67859360      9.92142153    -13.33493941
  O     12.68979477     10.37064448    -15.47676425
  H     13.30882760     13.41989675     -7.37031834
  H     12.68909037      7.68998701    -13.72781568
  O     16.94109118     10.82704738    -13.57610085
  H     15.31169299     11.65618002    -14.11107588
  H     13.24399971      8.86999406    -14.57864611
  O     13.49231040      8.18229203    -13.94510946
  H     14.30761117     12.72421191    -13.62553290
  H     14.09846535     10.95144907     -7.38361743
  O     13.64922339     10.27328323     -7.90406851
  H     15.36611439     12.70373543     -5.95833135
  H     12.82734043     10.67572972     -8.22443368
          69
 Energy    -248.53628554165539     
  O     16.84317787     10.39170629    -10.98962525
  H     16.00074866     10.23541009    -11.43673083
  H     13.58551116      9.84778212     -6.62903720
  O     14.88373889      5.43469058     -6.86652151
  H     17.47152440      9.77324031    -11.38992917
  H     17.00771587      4.97966702    -13.00378612
  O     12.61716378      7.07103762     -7.47451442
  H     15.00510965      4.63595261     -6.36133026
  H     17.77413489      3.64541449    -12.99679271
  O     14.63430791      9.44714117    -12.38655215
  H     15.27737462      6.16051144     -6.34778945
  H     15.46401528      5.94209842     -8.54440566
  O     18.58019065      8.54091275    -12.14862332
  H     12.81262696      7.80555978     -6.88071088
  H     15.77386226      7.35585349     -9.10459603
  O     20.63942328      9.76093518    -10.67577476
  H     13.29382915      6.40740625     -7.29478087
  H     17.29856267     12.12266245     -7.13890707
  O     18.19327157      6.29614745    -10.58470712
  H     15.21213249      9.28805326    -13.14261493
  H     18.56382612     12.36698561     -6.28562553
  O     11.70191110      7.55460220     -9.98561048
  H     14.41393928      8.56756705    -12.04349435
  H     17.07470654      8.89913427    -15.01093644
  O     15.71722881     12.72020297     -7.62889934
  H     18.42727541      7.72876546    -11.64174656
  H     17.43223481      8.57792050    -13.54345209
  O     12.60118714     10.22793279    -10.50045366
  H     19.38817016      8.93712550    -11.79903882
  H     16.39760530      9.53105924     -9.49548784
  O     13.94433713     10.66324683     -8.15708548
  H     21.53209219     10.07381080    -10.79247654
  H     16.73257092      9.02120768     -8.05109188
  O     13.49238981      9.26773061     -5.85463195
  H     20.12392093     10.50312250    -10.31158821
  H     18.15772291     11.40841321    -10.12917371
  O     17.77799444      4.52266638    -12.62473138
  H     17.33690172      6.27264053    -10.13574304
  H     18.77705597     11.73072713     -8.74939470
  O     15.71758061      6.41728671     -9.34399516
  H     18.17108328      5.59699773    -11.25424228
  H     16.63202238      8.05471932     -5.86185613
  O     18.18759519     11.78179511     -6.93861565
  H     12.01412882      7.37577437     -9.08074553
  H     15.11548388      8.24372963     -5.57988139
  O     16.70016669      8.61276064    -14.18154338
  H     10.80396488      7.23710083    -10.03278310
  H     14.61190849      6.63839188    -10.73698556
  O     16.04575308      9.05630347     -8.73010691
  H     15.52187315     13.44930729     -8.21349689
  H     13.14642295      7.02496563    -11.04364757
  O     18.98114584     11.66168470     -9.68894299
  H     15.03615984     12.05223969     -7.80377758
  H     20.06155691      8.49936073     -9.31041026
  O     15.83437717      7.60036391     -5.55952178
  H     12.20555650      9.35784146    -10.35935616
  H     19.19513906      7.23048170     -9.28884367
  O     14.00966684      6.89020685    -11.45268902
  H     13.21343709     10.12274041    -11.23896104
  H     18.15674309      9.91051694     -6.74336859
  O     19.60088281      7.89585421     -8.71710984
  H     14.67600871     10.04994395     -8.33611987
  H     18.63585864      8.56089283     -7.38065666
  O     17.98782076      8.96109792     -6.77820930
  H     13.37703516     10.63382315     -8.93994846
  H     15.97861009      6.84352122    -13.89591842
  O     15.65999247      5.99432623    -13.56862456
  H     13.02493509      9.76844232     -5.19078902
  H     14.99041555      6.20312309    -12.90387769
          69
 Energy    -248.53616557049398     
  O     13.76235218      2.85102544    -10.86518799
  H     13.92721555      1.93948761    -10.59661720
  H     14.89361898      7.21126069    -16.29337942
  O     12.53767247      2.85319534    -13.37569687
  H     13.34671399      2.80932195    -11.73921234
  H     15.09556377      9.40925233    -10.51901087
  O     16.40348865      3.78910430    -11.12989491
  H     11.81388765      3.47137664    -13.21867896
  H     14.08172727     10.45285545     -9.98785012
  O     17.03253209      6.43352171    -13.94094589
  H     13.19865306      3.35234532    -13.88004911
  H     14.21669576      7.28706518    -12.82020319
  O     11.71888934      7.09899280    -14.36086114
  H     16.52800557      4.59892580    -10.61967989
  H     14.02900671      6.07008586    -11.88441060
  O     14.10364954      0.46368808    -13.38872449
  H     15.48051486      3.52078813    -11.02182197
  H     11.97928555      5.32846314    -11.35561342
  O     14.52111344      0.17170508    -10.55491050
  H     16.26168087      6.46433705    -13.35414459
  H     13.02964859      4.47912539    -10.59202744
  O     17.62426709      9.08877282    -13.20019765
  H     17.25470617      5.49984522    -14.02887070
  H     17.03402984      0.12968380    -14.60446351
  O     16.70757899      8.84588878    -10.61751312
  H     12.20711776      6.85747732    -15.15673960
  H     15.78794978      0.67284523    -13.86559904
  O     14.41322339      4.46325642    -14.55799709
  H     12.21518333      7.81427621    -13.94112941
  H      9.87220802      5.13302953    -12.74799930
  O     15.39262092     10.08447306    -14.77155504
  H     14.12225303      0.24195426    -12.44897781
  H     11.11423666      5.79668785    -13.38498213
  O     15.66669664      7.73762822    -16.06064840
  H     13.44461915      1.16181602    -13.48685553
  H     16.81125136      3.71282327    -12.89122128
  O     14.14585463      9.62970345    -10.46465372
  H     15.45966564      0.39871131    -10.68659704
  H     17.00452358      2.66129197    -14.01160224
  O     14.55703396      6.40494359    -12.61814544
  H     14.49245876     -0.53432539     -9.91562892
  H     16.99567825      1.98763738    -11.02889192
  O     12.70647273      5.38204631    -10.72393856
  H     16.94542106      9.54002219    -13.71508073
  H     17.10396787      0.88848839    -12.10272341
  O     16.74169194      0.81088043    -14.00479377
  H     17.61685650      8.17084574    -13.50398521
  H     13.73659304      5.40909983    -15.89156172
  O     10.82081760      5.06200029    -12.81634633
  H     16.82209347      7.92148133    -10.37572574
  H     13.11845063      5.64572020    -17.29040406
  O     16.95253775      3.61001466    -13.84586969
  H     17.11786200      8.96582645    -11.48683482
  H     14.00127355      7.98150992     -9.46978359
  O     17.02790481      1.02892865    -11.15062346
  H     14.36454691      5.17390826    -13.89864668
  H     13.47324904      6.53163687     -9.53491060
  O     13.37023325      6.08840922    -16.48369055
  H     15.29938485      4.08926761    -14.47038759
  H     15.70905483      6.44770090     -9.32825105
  O     14.09804153      7.10781249     -9.07271446
  H     15.49161627      9.28851317    -15.32624159
  H     17.09709831      6.11317355     -8.74001373
  O     16.59812988      6.12101712     -9.55419237
  H     15.45475258     10.83653803    -15.35400461
  H     13.60657039      9.23243166    -12.18389942
  O     13.47723325      8.91959797    -13.08963643
  H     16.19405735      7.20700028    -15.44800854
  H     14.09286988      9.40719944    -13.65354772
          69
 Energy    -248.53613015128565     
  O     -7.54213804     -2.03182506      6.86503390
  H     -8.23639058     -1.41838724      6.60300038
  H     -6.46427452     -0.90303994      3.86232405
  O     -9.39428898     -2.77873501      3.63522037
  H     -6.74747646     -1.51353856      7.04712652
  H     -4.46065104     -0.83560079      8.01382536
  O     -7.33123324     -4.08792265      5.11677480
  H     -9.54890595     -2.04950451      4.24550505
  H     -4.52525599     -0.78758764      6.46823329
  O     -5.57069925      0.07319546      0.78992424
  H     -8.76943948     -3.35913608      4.08682153
  H     -1.17652572      2.79840153      1.09141757
  O     -6.10196684      1.62048149      6.05306963
  H     -7.39993227     -3.40804283      5.81207532
  H     -2.53695756      3.38663099      1.54094312
  O     -5.68883160      4.53364380      0.15649980
  H     -7.32584475     -4.93394862      5.55567403
  H     -8.73257632      3.57699261      3.31352278
  O     -3.74043300     -0.99863904      4.92483041
  H     -6.47693828      0.35447786      0.96321685
  H     -9.26328037      3.18757519      4.72273320
  O     -4.35823535      2.26520179     -0.53654527
  H     -5.59714564     -0.88627497      0.68443018
  H    -10.31259097      1.94232621      3.36513485
  O     -9.37744361     -0.36825410      5.26881696
  H     -5.68829441      1.00469304      6.66810125
  H    -11.49528399      1.09173466      2.82449325
  O     -5.98282358     -2.71891038      0.76878403
  H     -6.36324326      1.07396437      5.29378681
  H     -5.67796407     -2.70967137      2.61029624
  O     -3.67962326      0.85636283      2.75931463
  H     -5.86304934      5.08635882     -0.60035709
  H     -6.16155416     -3.16927595      4.02542701
  O     -6.93588293     -0.07662616      4.02745210
  H     -5.24387374      3.73233540     -0.17363782
  H     -8.55864816     -1.01118392      1.17178243
  O     -5.04748930     -0.66467182      7.28206461
  H     -3.58721572     -0.31095972      4.26511529
  H     -8.89882483     -2.28713385      1.97810018
  O     -2.10034288      2.58766158      1.19351698
  H     -4.26226565     -1.67106223      4.46477294
  H     -7.83676294      2.24088453      6.34007763
  O     -9.53568498      3.39729556      3.81599115
  H     -4.77235968      1.45562219     -0.21110821
  H     -9.13667375      1.45238452      6.18314325
  O    -10.58925897      1.03963105      3.11596180
  H     -3.50324197      2.32175310     -0.09141514
  H     -4.04158986      4.25596474      2.90588075
  O     -5.61525773     -2.52595753      3.55514453
  H     -8.48620705     -0.30030992      4.88736862
  H     -4.28802662      4.80397830      1.48774206
  O     -8.52987193     -1.97165481      1.13821335
  H     -9.95621702      0.07328923      4.63278932
  H     -4.52324137      2.25090272      3.57507846
  O     -8.79585347      2.34781736      6.27716861
  H     -6.93946227     -2.53876584      0.83903070
  H     -5.29927622      2.72529911      4.82347294
  O     -3.59634388      4.65044342      2.14278019
  H     -5.87072027     -3.38551658      0.09716498
  H     -7.83316970      1.78859158      1.80052776
  O     -4.98363481      3.01244351      3.95755630
  H     -3.01339362      1.34176989      2.25573342
  H     -9.06070046      0.88796418      2.08178030
  O     -8.17810661      0.88819259      1.68561415
  H     -4.32978682      0.53389258      2.12079546
  H     -6.76533125      3.84286965      1.49537231
  O     -7.13909164      3.35568226      2.23995292
  H     -7.29810328      0.23064244      3.18867438
  H     -6.42612415      3.25335515      2.88670317
          69
 Ord_Energy   -248.536011    
 O    3.44246101       9.54838371      -11.0310450    
 H    2.89797258       9.86535740      -11.7654800    
 H    4.19790411       9.09371471      -11.4243011    
 O    1.09832239       12.6456022      -10.0717878    
 H   0.261982530       13.0760241      -9.85514259    
 H    1.25293505       12.7994356      -11.0129948    
 O   -1.54244089       12.9451971      -12.4897833    
 H   -1.61080861       13.2581415      -11.5795088    
 H  -0.602990925       12.9607010      -12.7082243    
 O   0.860319793       8.07320595      -8.06018353    
 H    7.29667023E-03   7.74031639      -7.75113678    
 H    1.16247618       8.73064899      -7.42048883    
 O  -0.574091375       9.28011894      -12.6079445    
 H   -1.40204680       9.67932510      -12.8978729    
 H  -0.454961807       9.51937485      -11.6742830    
 O    2.20139027       7.18114948      -10.2285233    
 H    2.58238816       8.02303696      -10.5151148    
 H    1.77173781       7.35315466      -9.37910748    
 O   -1.53797448       13.6121931      -9.71225548    
 H   -1.89652300       12.7780170      -9.36078167    
 H   -1.95853043       14.3193150      -9.23073196    
 O   -2.18923998       7.12266779      -9.88947964    
 H   -1.56871808       6.85881996      -10.5764828    
 H   -2.72093201       7.85281992      -10.2398872    
 O   -2.26792073       11.1418228      -8.86678410    
 H   -2.12635827       10.8965425      -7.94150829    
 H   -1.56111014       10.6916647      -9.35409927    
 O    5.31151533       7.83218908      -12.3245497    
 H    6.25529289       7.70444632      -12.3826208    
 H    4.92897606       6.97600412      -12.0736351    
 O    2.00505114       5.98982668      -13.7004757    
 H    1.18813026       6.10590982      -13.1989126    
 H    2.65247965       5.66389084      -13.0659895    
 O   -2.92628098       10.7027874      -13.1320362    
 H   -3.47794890       10.8565998      -13.8941174    
 H   -2.48192477       11.5450907      -12.9291487    
 O   -1.42944300       10.1378727      -6.45448923    
 H   -1.58275151       9.20156956      -6.63943148    
 H  -0.473243862       10.2493801      -6.40094900    
 O    2.87753558       11.0697393      -8.67826080    
 H    3.18856621       10.5236654      -9.41102219    
 H    2.37653971       11.7901745      -9.08656883    
 O    1.51923358       10.2512617      -6.47816515    
 H    2.03083444       10.4165907      -5.69056654    
 H    2.04432368       10.5893965      -7.22609472    
 O   -8.72033313E-02   6.66803980      -11.8479013    
 H  -0.306445748       7.52698898      -12.2394981    
 H   0.671488464       6.82265234      -11.2686310    
 O   -1.70504093       7.39322662      -7.27586365    
 H   -2.14371157       6.69644308      -6.79628038    
 H   -1.94091201       7.27674770      -8.21597290    
 O   -3.59702778       9.38902473      -10.6684380    
 H   -3.36319041       10.0417976      -9.99670124    
 H   -3.47993207       9.83025169      -11.5177498    
 O    1.88911891       10.2860060      -13.2596760    
 H    1.01129282       9.90094280      -13.1214647    
 H    2.40048218       9.66129208      -13.7952909    
 O   -1.74835194E-02   10.0066996      -10.0274086    
 H   0.312085569       9.37103844      -9.38175964    
 H   0.517140985       10.8088160      -9.97251701    
 O    3.35021377       8.32182121      -14.4303360    
 H    2.82567096       7.51442242      -14.3170061    
 H    4.13310957       8.19610310      -13.8842535    
 O    3.92765474       5.54344082      -11.5266790    
 H    3.29073048       6.03822565      -10.9801178    
 H    4.04136372       4.69055271      -11.1157074    
 O    1.30786026       12.8972702      -12.8632822    
 H    1.81495607       13.4682980      -13.4343500    
 H    1.56207252       11.9833584      -13.0812807    
          69
 Energy    -248.53575644399498     
  O     -5.13911464      4.62685031      1.61911947
  H     -4.80253318      4.98121277      0.77492107
  H     -3.19838484      4.16989379     -3.67378800
  O     -3.81227689     -2.16945656      1.17076775
  H     -6.05053333      4.89728553      1.68930980
  H     -0.48671463     -2.52825272     -2.47841634
  O     -0.38809330      3.72713749     -2.28870897
  H     -3.82954609     -1.82060894      0.26117741
  H     -0.84765032     -2.19535160     -1.01124125
  O     -3.35238350      1.54441299     -1.37642718
  H     -4.55756769     -2.75846107      1.25289503
  H     -1.81359065      8.05360916      0.63210866
  O      1.07818727      0.64036250      4.55276408
  H     -0.25296772      2.79190992     -2.09361706
  H     -2.21980503      6.77689184      1.40795094
  O      1.27461385      4.80750302      2.57175058
  H     -0.06816825      4.23383288     -1.53008600
  H     -2.86860440      2.55275052      1.23670698
  O     -1.21151492      3.02734704      1.16156472
  H     -3.60239846      1.76729754     -0.46852062
  H     -4.34693331      2.96443789      1.47941564
  O     -1.66450914      1.56136755      4.87652799
  H     -3.37613012      2.36079285     -1.88938497
  H     -3.71482147      5.54138671      2.56419553
  O     -3.62185673     -1.23062595     -1.37063152
  H      1.58846026      1.22552938      3.97209767
  H     -2.34957688      5.40245527      3.28035838
  O     -2.91223623      0.00937466      2.73834892
  H      1.61697600      0.48115091      5.32450703
  H     -0.59127860     -0.00692493     -1.82994504
  O     -0.26980028     -0.78590751      2.52138150
  H      1.75700221      3.97586432      2.63551857
  H     -1.53550798      1.16147318     -1.47286074
  O     -3.03913622      3.99485345     -2.74997537
  H      0.50379240      4.69605125      3.14518217
  H     -1.40764499      3.29457088      4.31030745
  O     -0.85454486     -1.84770837     -1.92127910
  H     -0.84752473      3.80059977      0.71062483
  H     -1.19948069      3.69900254      2.84698046
  O     -1.87965775      7.10563115      0.55504573
  H     -0.55235744      2.32744915      1.08561200
  H     -3.26630965      6.17298351     -0.36056910
  O     -3.77762627      2.21104315      1.28339925
  H     -2.18381176      1.00151464      4.28694016
  H     -3.69257915      5.08407065     -1.37789048
  O     -2.91539735      6.02494324      2.80320380
  H     -0.76204648      1.22252572      4.84378984
  H      0.37928906      0.99843942     -0.11360172
  O     -0.60397822      0.93140275     -1.60146283
  H     -3.65164927     -0.26762120     -1.45690206
  H      0.40478560      0.34228962      1.30498315
  O     -1.19035767      4.05088829      3.74981470
  H     -2.75749192     -1.49597868     -1.70612207
  H     -0.62204701     -2.16797633      1.32575889
  O     -4.00026925      5.60535513     -0.62681178
  H     -3.28009065      0.77541560      2.27487073
  H     -1.98469303     -2.69813633      0.86454323
  O      0.75391313      1.07385529      0.77478648
  H     -3.29751056     -0.76774660      2.31341143
  H      1.91845854      1.80525966      1.86842701
  O     -1.04389772     -2.71252029      0.64801561
  H      0.21217547     -0.47681283      3.29687435
  H      3.36131607      2.10047266      2.33879997
  O      2.44741716      2.14896000      2.60999266
  H     -1.18866310     -0.48992730      2.61787647
  H     -0.50679986      5.92807497      0.17693599
  O      0.11203933      5.19203526      0.07921538
  H     -2.07262939      3.95568294     -2.63350836
  H      0.63630475      5.14911432      0.89349499
          69
 Energy    -248.53553100503362     
  O     15.12094048     12.09785506    -11.92282289
  H     15.45005758     11.95279757    -12.82149308
  H     14.88233707      9.21977905    -16.86705864
  O     14.38236722      6.91711680    -14.80427744
  H     15.82364546     11.79924128    -11.33447771
  H     18.89013154     10.21120735    -13.18537356
  O     15.74015588      5.85926846    -10.73164592
  H     14.76910143      6.11351881    -14.43888156
  H     19.22377737      9.08903568    -12.16897125
  O     19.72608364      7.25706320    -12.02042711
  H     14.87899210      7.64244073    -14.38967014
  H     15.99015971      9.62434115    -13.79591604
  O     14.02912194     10.82722649    -16.26428831
  H     14.82662017      5.69088055    -10.46167947
  H     15.88045717      8.69802258    -12.54691622
  O     13.04039592      5.90188137    -10.20176442
  H     15.83008857      6.82484874    -10.72425019
  H     13.46496107     11.67273051    -11.76353763
  O     12.08438322      7.48113489    -13.42584575
  H     19.29291908      6.70965743    -11.34311722
  H     12.02936464     12.10036979    -11.37236566
  O     15.67371957      8.58842123    -10.76324497
  H     20.64524094      7.00061949    -12.03110811
  H     13.63209923      2.89220462    -14.42769605
  O     18.04816597      8.41157691    -16.37441018
  H     13.56786542     11.36102820    -16.90590993
  H     14.42307179      3.88945920    -13.56899263
  O     11.54799168      4.87924085    -12.43822479
  H     13.37487152     10.58023248    -15.58573036
  H     12.06197131      9.25318420    -14.08216671
  O     17.86948466      6.75069831    -14.09206423
  H     12.90861473      6.85508403    -10.28026886
  H     12.31998535     10.63929414    -13.46104387
  O     15.34511712      8.38927513    -17.02963883
  H     12.48714935      5.50418604    -10.88488646
  H     18.59834030      5.16952676     -9.41251774
  O     18.93935376     10.00797305    -12.24386966
  H     12.85072962      7.26338551    -13.97897475
  H     17.47757953      5.63685335    -10.35140289
  O     15.96902492      8.70510521    -13.50825303
  H     11.72981062      6.63686799    -13.12484018
  H     15.79291767      5.21876796    -12.44490230
  O     12.53968736     11.37050339    -11.71186186
  H     14.71402327      8.72368122    -10.76387814
  H     16.63547557      5.39271145    -13.72433649
  O     13.55122702      3.47691469    -13.67798069
  H     16.11634536      9.39816808    -10.48466298
  H     18.49766759      9.85439705    -15.56060180
  O     12.28009099     10.16772834    -14.30166289
  H     18.10586079      7.68748716    -15.73911618
  H     19.38760130     11.11939661    -15.52097359
  O     18.43765342      5.66510372    -10.21148254
  H     17.13788626      8.40490027    -16.70637565
  H     12.70431351      9.61095849    -11.12608141
  O     15.85595706      4.94417328    -13.37131295
  H     10.77764333      4.32241306    -12.35902636
  H     12.66463001      8.25512380    -11.86086409
  O     18.69829205     10.65986286    -15.04934022
  H     12.23027388      4.35106138    -12.88712149
  H     17.84515352     10.62507422    -11.05040588
  O     12.92567787      8.67631554    -11.02861055
  H     18.58211748      6.84922147    -13.45009227
  H     17.68743573     11.27150075     -9.65326523
  O     17.19341239     10.90991352    -10.38379567
  H     17.24574509      7.47265994    -13.91291483
  H     15.44557335     11.25532676    -15.15919264
  O     16.06270649     11.36278681    -14.42302901
  H     14.94051433      7.75032359    -16.42887260
  H     16.96497060     11.24594052    -14.74730363
          69
 Energy    -248.53532776009848     
  O     -1.56867903      4.51891363      4.65513900
  H     -1.70696293      5.26452783      5.23354244
  H     -1.42110178     -3.70622915      2.56660651
  O     -2.91253897      3.44207572      2.34066260
  H     -1.25329550      3.78693842      5.21541141
  H     -0.30007070      2.26273498      2.67285702
  O     -0.45961006      2.42707361      6.01065902
  H     -2.63160008      3.93709276      3.11728298
  H     -1.09971065      1.02449421      3.20325726
  O      1.53909493     -3.24031910      1.50903160
  H     -2.28798612      2.70123190      2.27693006
  H     -3.26374672     -0.77926332      1.40157871
  O      0.15713040      0.56213504      0.14074550
  H     -0.85589009      1.60100872      5.69541158
  H     -4.33969291      0.18315567      1.96439672
  O     -2.09019288     -1.05656318      0.00291074
  H      0.48560668      2.32181083      5.86196956
  H     -1.95067809     -0.58348184      4.72828467
  O     -5.00874805      1.87626004      1.49054763
  H      1.88986645     -2.34091086      1.45850342
  H     -0.40530403     -0.36067928      4.61879747
  O     -3.48987785      1.29043301     -0.89916182
  H      1.56245480     -3.47915355      2.44345409
  H      0.22529647     -3.73567298      4.11514294
  O      0.56156144      3.00384108     -1.20089052
  H     -0.27443332      0.92300233      0.93364801
  H      1.38417871     -4.39375841      4.90541694
  O      2.19929697     -0.51626400      1.65055337
  H      0.34127287      1.31162919     -0.43705932
  H     -0.09338940     -3.45846427      0.90390001
  O     -3.26987705     -1.83714483      4.43514607
  H     -1.80434625     -1.96374002      0.16558847
  H     -1.08581407     -4.36625061      0.14236253
  O     -1.39969287     -3.75145376      3.53038494
  H     -1.27967806     -0.52873826     -0.03656024
  H      3.34958184      2.35761389      1.79429425
  O     -0.91799919      1.56221567      2.42141738
  H     -4.35146444      2.50675854      1.82952893
  H      4.74255134      1.85854535      2.24912987
  O     -3.87783427     -0.64494376      2.13588373
  H     -5.85492812      2.31462443      1.52632410
  H      1.54327466     -0.74617663      3.33424466
  O     -1.25587599      0.08422797      4.75111081
  H     -3.08946717      0.42789783     -0.73449878
  H      1.32556685     -1.81604720      4.42977728
  O      1.17091595     -3.65650220      4.34073647
  H     -4.13259484      1.42364901     -0.19200052
  H      1.83524921      0.87373942      4.68689659
  O     -1.03495058     -3.58657021      0.69005636
  H     -0.33240885      3.27697432     -0.92341443
  H      2.81840962      1.83106836      4.00965668
  O      3.80759525      1.70762202      2.35852121
  H      0.64276488      3.23136105     -2.12301053
  H      0.01279106      4.15563511      3.65992637
  O      1.28065316     -0.86727345      4.25860935
  H      1.53009796     -0.14913591      1.05434206
  H      1.19151760      3.13853546      3.79959244
  O      2.11412185      1.79995211      4.67082174
  H      2.84204915      0.18118210      1.82479570
  H     -2.26571632      3.76471611      0.47651540
  O      0.71685368      3.70855503      3.17601652
  H     -4.06127255     -2.01716230      4.93446103
  H     -2.47518241      2.77703148     -0.68583359
  O     -1.95115514      3.54362470     -0.40504653
  H     -3.54857221     -1.41962003      3.59770413
  H      1.80784674      3.36709385      0.16177944
  O      2.35611182      3.48512288      0.94622763
  H     -2.07728131     -3.14528669      3.85362426
  H      1.75321348      3.73552747      1.66105051
          69
 Energy    -248.53505160975487     
  O     15.38027788     10.18748099    -10.75548599
  H     16.26797104     10.39367758    -10.43640062
  H     16.53698884      4.02275265    -12.27384218
  O     13.64074840      9.73903422    -16.24812698
  H     15.18227595     10.72819229    -11.53089240
  H     12.76474471      8.70385237     -9.80689742
  O     17.02202896     10.32583583    -14.34471720
  H     13.83106424     10.68434471    -16.21395706
  H     14.10562716      9.45568736     -9.68773116
  O     12.52283340      5.87622452    -11.89993042
  H     13.12343728      9.55989343    -15.45358822
  H     17.20393201      6.97575973    -15.57527553
  O     17.68021146      7.70089443     -8.93501669
  H     17.72476444     10.25147934    -13.68286718
  H     18.44133442      6.18697809    -16.05386376
  O     16.97709291     12.30184669    -16.26010990
  H     16.21424052     10.59953542    -13.88994536
  H     15.25490902     12.52803846    -15.99714919
  O     15.79389559      7.63065951    -11.83632332
  H     12.98069444      5.98493970    -12.74075962
  H     13.91663429     13.30023924    -16.07824654
  O     14.61097296     11.20841057    -13.22191633
  H     13.20747955      5.64088399    -11.25691487
  H     13.24701562      8.31183269    -13.70643179
  O     18.44233362      7.23374584    -12.65331959
  H     18.01837468      6.93131676     -9.40698153
  H     12.24103553      8.98899785    -12.75749991
  O     18.89551184      9.95214493    -12.41539747
  H     16.82670855      7.45296285     -8.55887178
  H     10.55304938      8.21699806    -10.99361933
  O     16.09961889      4.49811794    -13.99441244
  H     17.13435763     11.59143781    -15.61611988
  H     11.78665010      7.37631608    -11.40015853
  O     16.73005129      3.95790325    -11.32782766
  H     17.83351188     12.55604881    -16.59210895
  H     14.80757645      7.04980293     -6.98557160
  O     13.48720523      8.89433754     -9.19835283
  H     15.65556684      8.50439780    -11.45122913
  H     14.46290536      7.76798402     -8.31255950
  O     17.87709536      6.33220677    -15.29811819
  H     16.72381023      7.55187192    -12.08482116
  H     14.78679013      5.93170487     -9.33455485
  O     14.31964305     12.51000196    -15.72866113
  H     14.45627592     11.80418630    -13.96469916
  H     15.15298559      6.30245607    -10.77999009
  O     12.77795899      9.14135940    -13.54473172
  H     13.95409071     10.49996397    -13.30275175
  H     18.04912371      4.88571948    -10.76648119
  O     11.48713748      8.27645483    -11.17735260
  H     18.35544818      6.81958336    -13.51988486
  H     19.47052641      4.96944368    -10.15832376
  O     15.05973976      7.11508260     -7.90244118
  H     18.66761151      6.56182761    -11.99626106
  H     14.80182874      7.20030990    -14.70590342
  O     14.75408530      5.60205795    -10.23976064
  H     18.88400628      8.98625271    -12.48876810
  H     14.83010886      7.07434375    -13.16975431
  O     18.75370875      5.50158300    -10.49233059
  H     18.68155717     10.14620398    -11.49549894
  H     17.91735354      9.34829898     -9.42651234
  O     14.32826740      6.80897636    -13.96017916
  H     16.78126833      4.96021774    -14.49651949
  H     18.39359078     10.76668907     -9.03113580
  O     17.98418334     10.27067513     -9.73480097
  H     15.34144843      5.09215549    -14.01557477
  H     15.15152473      8.68522086    -16.15158143
  O     15.92411409      8.23425207    -15.78231026
  H     15.96991194      4.34725661    -10.87496231
  H     16.39167157      8.91218642    -15.27073665
          69
 Energy    -248.53481669008920     
  O     17.12356270     10.28911243    -13.65655635
  H     16.97245416     10.35142635    -12.70188879
  H     13.50195028      3.57890251    -10.82035188
  O     15.90299691      4.60605997    -16.07810613
  H     17.71457392      9.54039535    -13.82215406
  H     15.48565533      4.29754427    -14.25163605
  O     12.49739564      7.79237261    -13.32016262
  H     16.22408862      3.88907807    -16.62127989
  H     14.21969701      4.57976638    -13.41091970
  O     12.24103482      6.16573001     -9.37863822
  H     16.44964765      5.37843538    -16.28989225
  H     13.00549437      9.50763910    -10.84361720
  O     13.14558665      5.49902468    -16.24687748
  H     11.96386993      8.33859742    -13.91307758
  H     12.62951281      8.23213934    -11.61080301
  O     15.45100346     11.24286599    -15.60893778
  H     13.42386235      7.99448647    -13.52354898
  H     15.65812816      9.11969956    -13.78968072
  O     17.33367675      6.90686006    -16.74843795
  H     13.09910603      5.93754902     -8.99998232
  H     15.60566243      7.61395891    -13.49538908
  O     13.53118228     11.21609222    -11.51474034
  H     12.33720412      7.05586881     -9.74193249
  H     18.15824720      7.52984694    -15.03664205
  O     14.91840128      5.34978167     -8.72030566
  H     12.79438661      5.26318407    -15.37787306
  H     17.96687490      7.33435389    -13.52623789
  O     15.19549975      8.58994877    -16.64607364
  H     14.05580092      5.18327950    -16.26010833
  H     12.04161050     10.24043838    -14.97359176
  O     11.66111075      4.10108188    -11.04266346
  H     15.41128683     10.45879917    -16.16884959
  H     11.84134626      9.06552558    -15.97324835
  O     14.46070985      3.55171998    -10.70799546
  H     16.15248445     11.06956631    -14.96180480
  H     13.98227495     11.55235212    -14.75652549
  O     15.14963770      4.31328759    -13.34817489
  H     16.60428001      7.54903403    -16.79871187
  H     12.78932424     12.51448954    -14.57610413
  O     12.86478932      8.56117279    -10.72937547
  H     17.93874794      7.12384467    -17.45391143
  H     12.42441609      6.03857910    -13.43962578
  O     15.10978265      8.33326022    -13.90899890
  H     13.29254950     12.04139388    -11.09719698
  H     12.09058668      4.68408512    -12.75680638
  O     18.42417496      7.88176512    -14.18110194
  H     13.38775842     11.33864078    -12.46558188
  H     12.08294548      7.78541263    -18.13782716
  O     11.47226726      9.49175602    -15.18923300
  H     14.83359120      4.66826159     -9.41113729
  H     12.72514680      7.03256312    -16.94914853
  O     13.14787326     11.68369316    -14.27172375
  H     15.30287134      4.92458829     -7.95874543
  H     16.17374937      5.67480940    -12.70471662
  O     12.48447699      5.07604051    -13.54513087
  H     15.11401457      8.46304629    -15.68663514
  H     16.29843792      6.85154106    -11.68056194
  O     12.58085489      7.91603592    -17.33510826
  H     14.32260164      8.41475452    -17.01840332
  H     15.34894117     10.62744848    -11.16070578
  O     16.63982641      6.49927544    -12.51471879
  H     11.78634182      4.86131364    -10.44633428
  H     16.12211281      9.38302367    -10.68249265
  O     16.23679542     10.26386363    -11.06069648
  H     10.89273630      3.63080315    -10.73079739
  H     15.39655452      6.89354174     -9.63325867
  O     15.47626543      7.62350607    -10.25989613
  H     14.83182037      3.66942018    -11.59141465
  H     14.57521765      7.92985544    -10.43521690
          69
 Energy    -248.53432454206953     
  O     16.56414981     11.39070256    -10.81389727
  H     17.14863132     10.73299667    -10.42297752
  H     19.19801022      9.47350191    -13.35483190
  O     13.99180808      7.28454631    -14.95899117
  H     16.61676154     11.24187171    -11.77064305
  H     15.36059044      7.82094966    -13.88284722
  O     15.28892008      5.11999820    -11.04764997
  H     13.98964229      6.41874267    -14.52542701
  H     16.24875592      8.99647498    -13.35856867
  O     18.26136525      6.43175749    -13.72953423
  H     13.37088547      7.85127342    -14.48005315
  H     13.64008399     12.52284508    -10.33134573
  O     11.38504819      7.20875373     -9.91223491
  H     15.48064887      6.02612292    -10.76891271
  H     14.85901151     11.65069567    -10.71859091
  O     12.41151289      8.80102591    -13.31531227
  H     14.41441489      4.89364704    -10.69808290
  H     12.62565126      4.39199177    -13.35839151
  O     15.84664524      7.79569598    -10.59596424
  H     18.25719637      5.74660859    -13.04479839
  H     11.39923962      3.46193049    -13.49267877
  O     18.29435734      7.94327275    -16.13694632
  H     17.48239143      6.99259026    -13.57588831
  H     13.20417788     10.50970622    -13.73210818
  O     10.58773189      6.85939749    -12.65328670
  H     12.06357724      7.87659156    -10.10779362
  H     13.72274998     11.56442504    -12.74641485
  O     15.75808868      7.00760149    -17.03577405
  H     10.89757254      7.52588958     -9.15614145
  H     18.11102983      3.59614707    -11.63960282
  O     16.48066057      4.77865844    -15.36164987
  H     11.66251349      8.19427731    -13.21745909
  H     16.97526040      4.62100218    -11.48759842
  O     19.32649808      8.87251843    -12.61243238
  H     12.80119515      8.87111812    -12.43377975
  H     14.68521821      4.95539119    -12.78239916
  O     16.08446075      8.04524444    -13.28734504
  H     15.90238521      7.86441120    -11.56353611
  H     15.06022321      4.65919985    -14.26801043
  O     13.88912128     11.72347873    -10.78692149
  H     16.64894226      8.21041615    -10.25894580
  H     12.22380349      5.51739993    -10.11580401
  O     11.71362545      4.24848562    -13.05411246
  H     17.45036284      7.68486591    -16.52773702
  H     12.24211108      4.43014540    -11.20198489
  O     13.77608826     11.28515334    -13.66917978
  H     18.44988078      7.32655413    -15.41017716
  H     18.58139089      9.54991198    -15.53209534
  O     17.87730930      4.50236453    -11.82476254
  H     10.70299138      6.95005846    -11.69872609
  H     19.37528159     10.87629307    -15.57394014
  O     14.31990769      4.83796907    -13.67003043
  H     10.87811465      5.96366637    -12.86480211
  H     14.22058756      8.58922919    -10.53035954
  O     12.66593173      4.70018329    -10.37811690
  H     15.06960034      7.18509414    -16.37263444
  H     13.46429791      9.94920823    -10.60271108
  O     18.72653260     10.39402558    -15.06872586
  H     15.33334200      7.04890499    -17.88893511
  H     18.66683400      9.09715690    -10.98743198
  O     13.34667018      8.99103543    -10.63457023
  H     16.29219242      5.40398731    -16.07228720
  H     18.95429766      9.10815699     -9.47031542
  O     18.25236930      9.18555105    -10.11110089
  H     17.19154271      5.17944294    -14.84838592
  H     15.57765111     11.02441385    -13.79270361
  O     16.45870512     10.75319348    -13.49501512
  H     19.16401703      7.98674427    -12.95879331
  H     17.11506403     10.83163745    -14.19635516
          69
 Energy    -248.53424633122069     
  O     11.83425248      2.55049685    -10.50578961
  H     11.35068015      1.89298349    -10.01187126
  H     16.99493278      6.26030772    -16.48739561
  O     18.24521213      4.03290215    -11.22830305
  H     12.06109428      3.25938204     -9.87899852
  H     17.18973447      6.06286698    -13.09305494
  O     14.71410538      8.48830073    -11.73730498
  H     17.96204987      4.29459319    -12.11503693
  H     17.53255064      5.41113645    -14.45878268
  O     15.47189698      9.47484503    -16.00908882
  H     17.62709200      3.35558240    -10.92597170
  H     11.74641544      8.28617613    -13.59169019
  O     17.80544730      6.22028479     -9.70382842
  H     14.55342349      7.53098866    -11.69539128
  H     10.68966162      7.18585233    -13.79248873
  O     15.32855643      4.85665249     -9.25062696
  H     14.16833964      8.88104414    -11.04378395
  H     14.55727548      5.44729865    -10.77501507
  O     16.25150662      2.34246203    -10.11330173
  H     15.64027407     10.29757068    -16.46024995
  H     14.24877664      5.23556471    -12.29173342
  O     13.50085566      8.58134923    -14.22228279
  H     16.28961928      9.24209734    -15.53338367
  H     13.39796228      2.22593093    -11.49745586
  O     15.39829378      6.76730733    -16.96141730
  H     18.51294476      6.39441347     -9.08837287
  H     14.33817083      2.74427640    -12.62304175
  O     12.48031394      4.66888894     -8.89479615
  H     18.06066249      5.42816892    -10.21257303
  H     12.30995488      8.32901157    -10.03985322
  O     17.72107311      8.60208747    -14.75746209
  H     15.63252504      3.95952385     -9.44878688
  H     12.17929720      9.79034469     -9.59066804
  O     17.88484122      6.08313709    -16.13180751
  H     16.11334179      5.41870085     -9.25583606
  H     17.54845914      7.27815583    -11.26957416
  O     17.21946134      5.21900434    -13.56577181
  H     16.41370186      1.50270766     -9.69281150
  H     16.43639976      8.07629053    -11.98580947
  O     10.94911912      7.90296892    -13.20168862
  H     15.55620440      2.19556615    -10.78060980
  H     11.30182728      7.22994763    -11.59319476
  O     14.12319174      5.83444497    -11.54620308
  H     14.09270945      8.99261383    -14.86395644
  H     12.49433406      6.36993218    -11.09958203
  O     14.26869858      2.10930981    -11.89675761
  H     13.94445019      8.63543052    -13.36383381
  H     15.57522446      4.48260607    -13.71818375
  O     12.82129324      9.11955445     -9.81268424
  H     14.62769545      6.38852589    -16.51852662
  H     14.16637617      4.73893559    -14.34021019
  O     17.29295360      7.64514113    -12.12397016
  H     15.35851199      7.71698336    -16.79205441
  H     10.79287242      5.20488736    -11.66612524
  O     11.64070021      6.74330888    -10.82346663
  H     12.11019441      5.46300618     -9.29578238
  H     10.97012826      3.68468130    -11.74944091
  O     14.65084248      4.19424689    -13.70513129
  H     13.43567668      4.80385261     -8.83995676
  H     10.56397948      5.01171557    -13.86965173
  O     10.60447735      4.44036910    -12.22322857
  H     17.94468465      7.78914598    -15.22757211
  H      9.80109301      5.16999399    -15.20614565
  O     10.56786885      5.47306634    -14.72757615
  H     17.70018833      8.37300496    -13.81941633
  H     12.33178893      5.76141723    -15.21787702
  O     13.26519414      5.99834921    -15.28499352
  H     18.41540502      5.76600302    -16.85715245
  H     13.35610302      6.87330732    -14.87995251
          69
 Energy    -248.53395307867453     
  O     16.20860668     10.08140371    -10.28378305
  H     15.52753072      9.69013796    -10.85424753
  H     13.26533729     10.38206579     -7.27517358
  O     14.75586153      4.52775557     -6.35397102
  H     17.02066265      9.56826418    -10.37854324
  H     13.22922339      7.55804617     -5.16836284
  O     15.88523769     12.51473995     -9.13743738
  H     14.70154193      3.61984158     -6.07022044
  H     11.79701232      7.87824538     -4.67942351
  O     12.38918372      5.49306029     -7.15648601
  H     13.86075852      4.79106185     -6.64155687
  H     18.68586906      3.85731623    -11.61146699
  O     14.25578647      8.81748359    -11.64715264
  H     15.72722471     13.17911901     -9.80275691
  H     18.51643646      5.36955930    -11.81555438
  O     18.50262324      8.50723253    -10.37366889
  H     15.98837557     11.66643068     -9.60422216
  H     15.67447106      6.78526531     -8.32583830
  O     19.89347923     10.19502212     -8.64354639
  H     12.37331000      5.72244619     -8.09810883
  H     15.58581881      5.32970176     -7.77562058
  O     18.63865630      6.14728285     -8.92774423
  H     12.21316103      6.30021145     -6.66177809
  H     16.75422756     11.34169567     -4.24877800
  O     12.48039878      6.22722023     -9.82329421
  H     13.40660488      8.95795931    -11.20916145
  H     16.71403438     10.22187164     -5.31473618
  O     14.35159636     11.71137069     -6.86580750
  H     14.48105989      7.88878459    -11.50010827
  H     14.43947948      8.81100687     -7.92378026
  O     11.89991244      9.02613263    -10.08671310
  H     18.53006783      7.69871914     -9.83958251
  H     15.66413709      9.07443710     -8.83586244
  O     12.81162151      9.57860690     -7.57522055
  H     19.05895703      9.14506096     -9.90758440
  H     17.40647020     12.21369027     -8.06943142
  O     12.34599814      7.85038094     -5.45847873
  H     20.74395931     10.62626321     -8.64730191
  H     17.68748739     11.69113198     -6.65111721
  O     18.98114587      4.70516491    -11.28614769
  H     19.26750542     10.81552474     -8.22917338
  H     15.59355630      7.45070083     -5.02886155
  O     15.94619931      5.86894967     -8.48940211
  H     17.70952286      5.96835221     -8.71861602
  H     14.91077442      6.07553257     -5.23164069
  O     16.60688503     11.17907925     -5.17668895
  H     18.88769751      5.54603483     -9.64149790
  H     15.39070565      5.96572860    -10.21388726
  O     15.33914241      8.51977568     -8.11655765
  H     12.21126652      7.14165805     -9.97182708
  H     15.89483283      6.29124615    -11.63358868
  O     18.10805779     11.87513654     -7.49963593
  H     13.26822861      6.09077098    -10.36096763
  H     19.61555787      8.70709707     -7.41119738
  O     14.80890680      6.93437897     -4.80315616
  H     14.79727386     12.07380225     -7.64179120
  H     19.21303336      7.22351354     -7.50388182
  O     15.09291057      6.16642130    -11.11392450
  H     15.04526826     11.57365424     -6.20937853
  H     16.34094208      8.57128157     -6.63168554
  O     19.32523145      7.95543617     -6.88189493
  H     12.17933309      9.27090079     -9.18789299
  H     17.76949097      8.30530943     -6.07949478
  O     16.86996480      8.55190115     -5.82016116
  H     11.03601308      9.40756291    -10.21970685
  H     17.49863963      7.33538973    -13.26559357
  O     17.56961824      6.88800634    -12.42529316
  H     12.57303596      9.04855810     -6.80329122
  H     17.92991338      7.53501202    -11.79665966
          69
 Energy    -248.53387633703650     
  O     -6.12560776      6.78825908     -8.14724647
  H     -6.53338831      6.06786245     -8.64135589
  H     -8.85237196     11.12423047    -10.25635689
  O     -5.87032413     11.45233881    -11.64775850
  H     -5.53654882      7.23050080     -8.78002792
  H     -6.67032636     13.33349624     -8.60716573
  O     -4.66917747      7.95818292    -10.21233518
  H     -6.20856393     12.31538417    -11.38174576
  H     -7.38175683     12.63023490     -7.43794761
  O     -6.37882350      7.30755965    -14.25392687
  H     -6.48560026     10.80509276    -11.26825770
  H     -8.32316326     10.60152172     -7.27960338
  O     -2.17677230      5.12298887     -9.17247612
  H     -5.35067555      7.69896234    -10.84577001
  H     -9.36387402     11.26924656     -6.35424670
  O     -6.94594912      4.86095429    -10.08298337
  H     -3.83255016      7.55349586    -10.46672851
  H     -3.24162016      7.21982345     -6.96614008
  O     -1.89789690      7.42800503    -10.68066224
  H     -6.81380736      7.38078460    -15.09834112
  H     -4.46524400      6.34625287     -7.31076837
  O     -7.18621356     13.66184160    -10.46416979
  H     -5.93272824      8.15967823    -14.08857614
  H     -2.16784715     10.16975105     -9.55543572
  O     -3.82289775     10.54300030    -10.05001138
  H     -2.64262508      5.51904358     -8.41217786
  H     -0.68795772     10.44481243     -9.19304603
  O     -5.01705979      9.54757117    -13.60956544
  H     -1.59892152      4.45066154     -8.82276650
  H     -3.62933061      4.65179417    -10.33763578
  O     -2.83203561      8.97664891     -6.84493747
  H     -7.40000955      4.02365078    -10.06386031
  H     -4.23427483      4.96378272    -11.73898313
  O     -9.23625974     11.95145040     -9.93209441
  H     -6.02633942      4.67901641    -10.35558694
  H     -6.93362352      7.14315124    -12.51215611
  O     -6.54740755     13.04127507     -7.69626692
  H     -1.85589502      6.60496400    -10.17628581
  H     -7.13893917      6.37350572    -11.15467002
  O     -8.86549910     11.39919616     -7.15692448
  H     -1.60042818      8.14826882    -10.10857461
  H     -1.65304683      8.44979342    -13.70633641
  O     -3.51153112      6.31260289     -7.17329435
  H     -7.98438818     13.12145673    -10.32031719
  H     -2.16830385      8.02282857    -12.31394503
  O     -1.35053112      9.75934208     -9.22132735
  H     -7.48485592     14.51670583    -10.76314182
  H     -3.45688963      6.67964240    -13.32557228
  O     -4.41072651      4.53539936    -10.88796887
  H     -4.14075136      9.62563605    -10.07619466
  H     -4.88165498      6.25502269    -13.68630452
  O     -7.05351463      7.24557116    -11.55978065
  H     -4.41436347     11.03553722    -10.63177206
  H     -6.89022066      8.40467151     -7.71042946
  O     -2.44878512      8.32009861    -13.19587248
  H     -4.11220095      9.28227017    -13.40328979
  H     -6.29165927      9.83564530     -7.56431196
  O     -4.07750958      5.94589401    -13.25201765
  H     -5.25066446     10.27640690    -13.02275442
  H     -5.33255935     11.73016737     -7.43765580
  O     -7.11456361      9.34392781     -7.70608522
  H     -2.21438422      9.23092123     -7.53932648
  H     -4.45547297     10.84882005     -8.35754706
  O     -4.83268605     10.90122977     -7.46866520
  H     -3.52376695      9.65076151     -6.85436975
  H     -7.46595072      9.56791278     -9.52192453
  O     -7.66659339      9.69323362    -10.45901914
  H     -9.30345015     11.83699105     -8.97576017
  H     -7.57928719      8.82876644    -10.88204880
          69
 Energy    -248.53375004857043     
  O     14.64664702     10.02248195    -10.70068071
  H     14.54160949     10.45310848    -11.56152809
  H     17.61967860      2.98970454    -10.89556974
  O     12.87375463     10.24592834    -16.48774437
  H     15.47626517     10.32049512    -10.31084773
  H     12.33932771      7.89669847    -10.54781542
  O     17.01220461     10.53282542    -14.19122153
  H     13.62190343     10.02425446    -17.05752481
  H     13.33993742      8.94806989    -10.01805674
  O     13.25111319      5.17905664    -12.69625988
  H     12.84655044      9.57128481    -15.79677465
  H     12.91557960     13.28542568    -15.45629765
  O     16.87336193      8.07849651     -8.46154350
  H     16.12250983     10.61959191    -13.81928763
  H     13.22461283     11.80277703    -15.78237468
  O     16.15385487     12.03276434    -16.42375338
  H     17.62849538     10.53630620    -13.45138968
  H     13.77898223      7.84633873    -14.37921592
  O     15.66889788      7.61172214    -11.76881102
  H     13.77695429      5.06852482    -11.89083135
  H     12.50834643      8.19139713    -13.56633491
  O     14.37775451     10.83111383    -13.30225367
  H     13.87260093      5.45086205    -13.38319026
  H     15.55676504      9.97366124    -18.83852795
  O     18.40484198      7.58555948    -12.13401549
  H     17.47857639      7.39924043     -8.79568384
  H     15.66496820     10.70564730    -17.47909806
  O     18.69933972     10.41647630    -11.90201851
  H     16.03629310      7.63834544     -8.28136623
  H     10.69189344      7.01983996    -12.26602026
  O     17.57468391      5.14384779    -13.26799561
  H     15.33602359     12.39921081    -16.06510105
  H     12.13433624      6.46749510    -12.36837379
  O     17.33016047      3.89710829    -10.85895642
  H     16.60612058     11.61466279    -15.67784736
  H     13.73941725      7.24052893     -8.67054747
  O     12.78623811      8.20089426     -9.74965444
  H     15.40621795      6.84111278    -11.24696037
  H     13.93883960      6.52546877     -7.31122185
  O     13.55677175     12.59406442    -15.31872369
  H     15.27219417      8.39290501    -11.36894183
  H     15.72890463      4.71623866    -10.46764773
  O     13.11453716      8.53152739    -14.23652974
  H     14.07790760     11.55422658    -13.86653148
  H     14.77238367      5.58482127     -9.57040159
  O     15.31318443      9.91087042    -17.91890433
  H     13.93819355     10.02797068    -13.61952596
  H     18.21022229      5.35557409     -9.92582958
  O     11.60974586      7.27319525    -12.20786959
  H     17.44592151      7.61768431    -11.98256597
  H     18.66163329      6.70385822    -10.49753625
  O     14.36312473      6.70552201     -8.14563071
  H     18.69223173      8.50289320    -12.15859932
  H     15.67729093      7.08682407    -14.91917796
  O     14.92232893      5.24812492    -10.46258291
  H     19.51089155     10.89853758    -11.75960143
  H     15.36555937      6.96142314    -13.39408027
  O     18.52673307      6.22796903     -9.66641313
  H     18.19760775     10.46151079    -11.07258375
  H     17.11068244      9.61185917     -9.14124582
  O     15.19424040      6.55934137    -14.26175991
  H     16.80581179      5.42590727    -13.77402909
  H     17.29743540     11.11735295     -8.83567358
  O     17.19882321     10.49405401     -9.55078586
  H     18.04683068      5.95691730    -13.03892748
  H     16.08773636      8.73624424    -16.63704915
  O     16.46230647      8.30811607    -15.85868264
  H     17.43529213      4.26202489    -11.75633509
  H     16.77335366      9.02216019    -15.28646229
          69
 Energy    -248.53367932902495     
  O     16.01475242     11.68959312    -13.97332652
  H     15.45981297     12.09558845    -13.29624610
  H     16.75107974      9.50282336    -17.29112859
  O     13.68001093      7.09255790    -13.11775868
  H     15.66221896     10.79203150    -14.08334701
  H     14.37600844      8.56030389    -14.01930573
  O     17.06388248      8.50694348    -11.82919865
  H     13.30380216      7.44467732    -12.30028228
  H     14.13084216      9.67129227    -15.08922472
  O     17.16822027      8.57708363    -15.73698738
  H     12.94415700      6.87698571    -13.70390583
  H     13.71695226     13.08030373    -11.62066944
  O     13.21178514     10.74158879    -16.32888899
  H     16.81204392      7.70173632    -12.30169320
  H     13.34781854     12.02045082    -12.68845701
  O     15.39496266      8.64088835     -8.38241993
  H     17.41966603      8.22437979    -10.97690914
  H     16.07983524      5.54162248    -11.22299695
  O     12.62338660      8.22778147    -10.85386198
  H     17.79260776      9.03217014    -15.15551342
  H     16.66466180      6.05942919     -9.89600486
  O     13.67350243      6.66636815    -16.64644881
  H     16.29241787      8.75759455    -15.35868811
  H     11.36970509      8.74479953    -12.22383876
  O     13.70736555      6.39545216     -9.01761755
  H     13.90913673     11.39210612    -16.48932888
  H     11.07991636      8.34445413    -13.68968103
  O     16.41306970      5.97091180    -15.89317091
  H     13.24417859     10.12240701    -17.06841860
  H     18.04327260      9.53284853    -13.03040278
  O     11.59778702      6.83987804    -14.91344422
  H     15.17338242      9.23143231     -9.11609892
  H     17.77347338     10.82113580    -13.81094125
  O     16.29992021     10.01631438    -17.97549529
  H     14.75558591      7.91920111     -8.42864267
  H     16.39298586      5.90599227    -13.94600551
  O     14.80055068      9.26003137    -14.52812326
  H     12.83913965      7.57457419    -10.17602624
  H     15.25367586      6.38268429    -13.03191841
  O     14.05915656     12.32811439    -12.09525857
  H     13.32553139      8.89541112    -10.82299399
  H     18.44431854      7.61731254     -8.65004284
  O     15.96396814      5.50703833    -10.26487376
  H     13.77374039      7.38745824    -17.28084984
  H     16.94747703      7.96710053     -8.84306330
  O     10.95244246      9.04589158    -13.04163584
  H     14.56082999      6.38263420    -16.40014007
  H     14.76880691      9.26697769    -18.32007424
  O     18.37518222     10.06823372    -13.76576386
  H     13.35885754      5.70733608     -8.45722358
  H     13.64368344      8.88788740    -19.31387217
  O     16.18537167      6.10588067    -13.02807886
  H     14.47076830      6.01400587     -9.48701466
  H     14.62582718     10.76966616    -11.23717136
  O     17.71783222      7.54267923     -9.26217054
  H     16.79657033      6.86528117    -15.90252930
  H     15.57792349      9.52361098    -11.28227215
  O     13.87042231      8.89628629    -18.38768040
  H     16.97143487      5.42826350    -16.44477137
  H     15.77201115     12.23606669    -15.65044945
  O     14.82191994      9.91941683    -10.82707188
  H     12.29005059      6.77392580    -15.59605255
  H     15.68099080     13.31563885    -16.75415317
  O     15.51958997     12.39270726    -16.57625131
  H     10.94030560      6.18382702    -15.13031213
  H     11.66271684     10.64264725    -13.49633018
  O     12.16282510     11.42419914    -13.77452408
  H     16.15198149     10.89014487    -17.59367914
  H     12.37114765     11.28738398    -14.70556723
          69
 Energy    -248.53353092421290     
  O     16.87590349      3.51222642    -15.25536982
  H     16.59235678      3.02803506    -14.47030716
  H     15.81692396      8.92990657    -15.86611103
  O     18.36529197      9.73217494    -10.95434371
  H     16.27720494      4.26719083    -15.33032705
  H     12.50435955      7.37560519    -16.59484290
  O     12.93887209     10.85500005    -11.32770865
  H     19.10379769      9.55427921    -11.55510012
  H     13.72898197      8.13667161    -16.02956520
  O     17.08149708      7.89110320    -14.88886763
  H     18.34676646      9.02470949    -10.29843538
  H     15.60682142      8.43065462    -12.02169544
  O     19.51444609      4.06132130    -14.89546024
  H     13.48281280     11.13404618    -12.07538735
  H     16.92870632      9.27418958    -11.95847774
  O     17.94571553      7.52253671     -9.24446922
  H     12.48028456     10.07361828    -11.64893525
  H     16.12360613      1.55851563    -12.30238137
  O     14.25502270      7.36238292    -11.32311340
  H     16.78213309      8.29801779    -14.06055469
  H     17.22856941      2.63641187    -12.42620193
  O     15.77925656     13.16030469    -12.94246438
  H     17.93974948      7.49823501    -14.69050732
  H     14.13033110     11.54653521     -8.45457067
  O     15.40282316      8.32948040     -8.99781442
  H     18.58243541      3.86860537    -15.10373311
  H     13.93417889     10.97356676     -9.87536006
  O     15.27096626      5.81489627    -15.03482424
  H     20.04036020      3.62159818    -15.55791736
  H     17.05440179      5.68329679    -11.76823359
  O     19.34316990      6.65035701    -13.81387444
  H     18.32450215      7.31773082     -8.39402920
  H     17.96745097      6.41064183    -10.72617489
  O     14.98073167      9.35970270    -16.09146890
  H     17.02271707      7.79557406     -9.08711672
  H     15.19122822     10.24312642    -13.26780584
  O     13.09143417      7.42228223    -15.84501133
  H     14.53548856      6.48505755    -11.61826892
  H     14.95559620     11.74385447    -13.58435404
  O     16.20468174      8.99110669    -12.53141887
  H     13.63683961      7.71486412    -11.97773858
  H     17.42001893     11.32460337    -10.71298057
  O     16.30201748      2.42969272    -12.64516172
  H     16.18205085     12.82245483    -12.12330074
  H     16.07413049     11.72620741    -10.07218923
  O     14.56004221     11.03118377     -9.13286894
  H     16.02429722     14.07896210    -13.00107632
  H     15.56775689      4.13249369    -12.35724680
  O     17.97054686      5.88666105    -11.53590855
  H     15.14258258      9.25727618     -8.95301822
  H     15.31364572      5.33561810    -13.29997375
  O     14.57487258     10.85968643    -13.69562406
  H     14.88356410      7.93972667     -9.71549685
  H     19.23412603      3.46263392    -13.06496260
  O     16.77304041     12.03990845    -10.65830462
  H     14.44919118      6.21269763    -15.34338844
  H     18.66442265      4.16510494    -11.82082993
  O     15.40072332      5.08258921    -12.36866696
  H     15.93784710      6.51823099    -15.04131477
  H     13.27848925      9.42976881    -13.51191061
  O     18.84288430      3.29281205    -12.19923843
  H     18.87420932      6.42578330    -12.99464517
  H     12.70195618      8.14176866    -14.11263681
  O     12.75292505      8.64815733    -13.29303615
  H     19.52706784      5.81440076    -14.25846045
  H     20.92043678      9.47627691    -13.36903530
  O     20.32219054      9.03631246    -12.76988667
  H     14.84493606     10.03988557    -15.41979913
  H     20.08607608      8.19735637    -13.19461619
          69
 Energy    -248.53333772415976     
  O     12.75544511     12.16724846    -16.75584248
  H     13.32314504     11.81035428    -17.45048841
  H     15.25560880     10.25066278    -17.00070946
  O     19.31862521      9.16255664    -11.35572710
  H     13.33571428     12.36115408    -16.00813699
  H     16.22685487      8.27664467    -13.24649196
  O     17.99305284     10.68495431    -14.97542462
  H     19.04581702      8.27183813    -11.10353870
  H     15.01248709      7.95600587    -12.36388418
  O     15.17218056      5.69787273    -14.24072949
  H     19.58239685      9.09759382    -12.28276016
  H     11.44672078     11.01788491    -16.55526699
  O     15.11461829      9.42143392     -9.37522895
  H     17.19676116     10.39810117    -15.44245550
  H      9.94955802     10.66460413    -16.72130386
  O     14.27466668      6.37021457    -11.75007065
  H     17.71728032     11.38839198    -14.37720183
  H     17.41761032      6.56645546    -10.40934430
  O     13.42810682     10.48860378    -12.78994738
  H     16.08225861      6.01727029    -14.19499741
  H     18.71067714      5.75668451    -10.64011263
  O     12.58199787      8.66545210    -18.05534433
  H     14.71445417      6.29963023    -14.84474468
  H     11.63323756      7.88488712    -12.65434048
  O     15.81275079      6.61741098     -9.57192610
  H     15.40874626      8.50341827     -9.36863474
  H     11.94099917      8.29945412    -11.19652397
  O     13.91320321      7.73284265    -15.73369584
  H     15.78519436      9.91617014     -9.86384698
  H     17.38323875     13.34769032    -12.73876583
  O     19.74626636      8.83233750    -14.16859686
  H     14.50882320      5.99144939    -12.61090500
  H     16.92078795     11.91973343    -12.37294276
  O     15.50277996     10.06753756    -16.08485209
  H     13.34936554      6.65572666    -11.76417799
  H     18.36606088      7.58916198    -13.96661881
  O     15.50821584      8.68945158    -12.75196825
  H     13.07965396     10.42243928    -11.89251336
  H     17.81798132      6.80438539    -12.75862892
  O     10.79690416     10.29555023    -16.48723926
  H     14.17729534      9.87441067    -12.84332358
  H     17.82820350     10.15309901    -11.20167184
  O     18.23496064      6.53202750    -10.93013707
  H     13.02651680      8.15586249    -17.36392674
  H     16.41476074      9.88701909    -11.77238682
  O     11.81380108      7.53500469    -11.77141863
  H     11.85129616      9.11722400    -17.61538961
  H     14.61738007     10.69353934    -19.50465057
  O     16.94124856     12.57785498    -13.08823877
  H     15.22338123      6.46172390    -10.33361200
  H     13.72481321      9.90708386    -18.51292305
  O     17.61293576      7.06564304    -13.66626665
  H     15.48363636      6.08185173     -8.85441729
  H     12.07223912     10.31069944     -9.52699946
  O     16.93424308     10.52285131    -11.25680012
  H     13.16328763      8.02226540    -15.19518552
  H     13.45879712      9.70799408     -9.85293051
  O     14.36008889     10.64232537    -18.58865991
  H     14.52800413      8.47808732    -15.77759840
  H     14.03544871     11.72503924    -13.89916119
  O     12.56693995      9.86627646    -10.21023137
  H     19.15792113      9.53720135    -14.49783243
  H     15.34069314     12.51776874    -14.11533256
  O     14.53336464     12.23258463    -14.55889879
  H     20.51684331      8.83208665    -14.72907522
  H     12.28491569      9.50653104    -13.80188284
  O     11.76936567      8.84366632    -14.28457607
  H     15.13598056     10.79137975    -15.55769379
  H     11.31554682      9.30982420    -14.99753311
          69
 Energy    -248.53316535441382     
  O     -7.76937724      2.77278380      1.04596324
  H     -7.23390410      3.34289491      0.47221635
  H     -6.38845224     -1.00482764      4.51072188
  O     -5.44957213      3.14243349     -3.06404081
  H     -8.08010365      2.03709390      0.50733093
  H     -2.79785818      0.01536084      3.67467779
  O     -5.76193250      1.87716233      2.61896064
  H     -6.06037492      3.33838655     -3.77006253
  H     -3.22273843     -1.09306528      2.69172766
  O     -3.24939446     -1.37750627      0.88327906
  H     -5.73480565      2.29830307     -2.67193515
  H     -0.68237701      0.75202378      0.54080165
  O     -2.06387062     -0.31775490     -3.02751470
  H     -6.54751321      2.21232662      2.15849324
  H      0.49321200      1.59607863      1.09386647
  O     -6.06088247      0.82387062     -1.76414514
  H     -5.98396718      1.04077944      3.04144298
  H     -2.68320161      3.80906244      0.12505697
  O     -5.17685308     -2.98867879     -0.33595101
  H     -3.85343352     -2.04316415      0.53377963
  H     -1.62150408      2.65348758      0.21281068
  O     -4.63947271     -1.46805716     -2.49838236
  H     -3.64262555     -0.51146029      0.68628834
  H      3.00880211      1.70939857      0.53151913
  O     -2.75701236      2.27646316     -2.93417131
  H     -1.61531228     -0.48331213     -3.85278511
  H      2.19455329      0.40773600      0.62411196
  O     -0.96424154     -0.75022632     -0.48301326
  H     -2.31408620      0.62443821     -3.03110242
  H     -8.00502995     -0.29596136      0.17630271
  O      1.73908308     -1.20599181     -0.04544252
  H     -5.45837885      0.92991146     -1.01114715
  H     -9.32448389      0.05860035     -0.55059343
  O     -6.05884803     -0.73068010      3.65912617
  H     -6.94170798      0.67219105     -1.39911946
  H     -1.20683918      1.51444006      2.71125192
  O     -3.35571088     -0.76670080      3.59321686
  H     -5.00236565     -2.49863006     -1.16072808
  H     -0.92453048      1.59778224      4.22521622
  O     -0.47168171      1.52458448      1.08353888
  H     -5.26668644     -3.90731111     -0.57337642
  H     -6.47223998     -2.00950273      0.65596513
  O     -2.35266241      3.01126558     -0.30773442
  H     -3.75469638     -1.14542091     -2.70478768
  H     -6.75155883     -1.25558566      1.98380996
  O      2.26269248      1.31224380      0.97368373
  H     -5.18793387     -0.68112374     -2.37223815
  H     -4.79911655      1.40611688      1.14172824
  O     -8.43400496      0.36303981     -0.40036392
  H     -3.63527828      2.63025475     -3.11647102
  H     -3.66306069      1.78337828      0.13278253
  O     -1.62964054      1.52601823      3.58549924
  H     -2.52358579      2.60565601     -2.05397043
  H     -3.64087856      4.59067112      1.84331272
  O     -7.10724084     -1.43985272      1.10599033
  H     -1.71188488     -1.09313156      0.02748982
  H     -3.49904994      6.00946133      1.23934419
  O     -4.31121466      1.10583806      0.36242276
  H     -1.28527966     -0.59890122     -1.38106602
  H     -5.20994230      4.60979932     -0.00504534
  O     -3.62473079      5.09353308      1.00794272
  H      1.88968444     -2.11762861      0.19224879
  H     -5.72879325      4.03584399     -1.34522396
  O     -6.00210178      4.30372400     -0.46114035
  H      0.79030604     -1.13343585     -0.23761352
  H     -4.44620293      2.99322460      3.09813800
  O     -3.64189933      3.52600369      3.19177476
  H     -5.08673661     -0.77591976      3.70507844
  H     -2.93624005      2.90204268      3.39416228
          69
 Energy    -248.53311369696985     
  O     -7.95388193     -2.60395806      5.45630497
  H     -7.05791623     -2.28824526      5.27173831
  H     -2.68752355      1.89423052      1.80602657
  O    -10.84296470     -1.13736814      2.36075903
  H     -8.34073754     -2.86207501      4.61265625
  H     -7.45605766     -0.99577490      2.41357825
  O     -9.32449155     -3.30779809      2.95557454
  H    -10.63463706     -0.50559153      3.06553573
  H     -6.69152991     -0.55572667      3.69081472
  O     -5.20662354      1.08962262     -0.03323244
  H    -10.54842930     -0.72076222      1.54350270
  H     -5.23020568     -0.58923048      5.37882231
  O     -4.91232276      0.99290595      6.30902504
  H     -9.94648918     -2.57500593      2.79357007
  H     -4.86589129     -1.45599077      4.12563739
  O     -5.43503222      5.57861523      1.19446572
  H     -9.84727131     -4.10223311      3.03000335
  H     -2.28582237      4.03550380      1.95877844
  O     -9.29463591     -0.66761309      6.80709882
  H     -6.07170075      1.32388265      0.33236314
  H     -0.92671640      3.76852590      1.26541301
  O     -3.86522310     -1.44824728      2.64846864
  H     -5.18825527      0.12880071     -0.12144060
  H     -9.19596678      2.33355287      4.60234036
  O     -4.17201830      3.72145577     -0.35755575
  H     -4.37656968      1.09852403      7.09018285
  H     -8.20459400      3.45037135      4.19745932
  O     -9.74216584      0.50680946      4.28799950
  H     -5.83121279      1.20259311      6.56398767
  H     -8.39544103     -1.53221031      0.54717854
  O     -5.21102302     -1.75451392      0.08040589
  H     -5.60119198      6.37543510      0.69821181
  H     -8.27712770     -2.71437558      1.56092214
  O     -3.34786325      1.23514137      2.05221454
  H     -5.03407623      4.94050957      0.57766900
  H     -8.87431117      0.67322133      0.41679296
  O     -7.35110663     -0.27401434      3.04441923
  H     -9.80771220     -1.03851843      7.51954872
  H     -9.79366998      0.26411649     -0.75578471
  O     -5.52620896     -1.32084490      4.82275431
  H     -8.81808461     -1.40571114      6.38683074
  H     -8.08002914      0.80126418      6.96268531
  O     -1.83420725      3.47979241      1.29753646
  H     -4.26759606     -1.67638494      1.80356390
  H     -7.86802921      2.17071326      6.27086205
  O     -8.70071633      3.09000470      4.94193250
  H     -3.52880819     -0.54882452      2.53030919
  H     -4.05165853      5.28190371      2.51426089
  O     -7.77644119     -2.15777799      0.94904247
  H     -3.30053257      3.63815321      0.04993026
  H     -3.81377498      4.17958575      3.56175065
  O     -9.43596690     -0.04238367      0.07370805
  H     -4.52543872      2.82491959     -0.41660761
  H     -4.80128819      2.10893639      4.83340407
  O     -7.45776816      1.53142895      6.87242273
  H     -8.89256969      0.24807842      3.90032224
  H     -4.29027642      2.07086925      3.36696710
  O     -3.36578496      4.87124095      3.05540623
  H     -9.74024481      0.15408139      5.18741732
  H     -7.47715458      1.02505453      1.90771881
  O     -4.76791174      2.61180977      4.01164032
  H     -6.11377163     -1.98217596      0.35829389
  H     -7.50583012      2.54162175      1.64827327
  O     -7.62854539      1.68759248      1.21368036
  H     -4.94278720     -2.41742660     -0.55163882
  H     -6.54915847      4.53288596      2.27643783
  O     -6.95378182      3.82543101      2.79228553
  H     -3.98808571      1.20075895      1.32666366
  H     -6.23163030      3.38511771      3.26718957
          69
 Energy    -248.53311015738478     
  O     16.36212157     11.41044828    -14.47862114
  H     16.71147020     10.90471849    -15.22192440
  H     17.93709071      3.43902176    -12.28629179
  O     13.41941028      6.46527035    -12.85726207
  H     16.63464767     10.92662830    -13.68805659
  H     18.28690882      9.01511629    -13.48093497
  O     17.15294885      7.69585982    -10.41242630
  H     13.00981964      6.23372982    -13.70379993
  H     18.41569832      8.76623460    -14.98033580
  O     12.23616429      8.69907548    -16.56296784
  H     12.95076507      7.22361624    -12.48202414
  H     14.71141608      7.41767883    -13.66908758
  O     14.07611175     10.02480473     -8.68288846
  H     16.92545855      7.95119772     -9.51052421
  H     15.19414832      8.11026590    -14.97912728
  O     12.37359427      8.78084364    -11.74037525
  H     16.52398964      7.00565520    -10.67142961
  H     14.74929320     11.95251154    -14.09692815
  O     16.75022396      9.55623984    -12.37650085
  H     11.51353924      8.96146899    -17.12642218
  H     13.75952725     13.12312692    -13.88476939
  O     14.89904216      5.43957449    -16.97660784
  H     12.14194298      9.20154938    -15.73302712
  H     14.56168506      5.98946217     -9.50117666
  O     12.03450461      8.03070376     -9.06675578
  H     14.18749584     10.40323468     -9.56518938
  H     14.85956192      6.94311184     -8.32610634
  O     16.57749600      5.43879791    -14.89172845
  H     13.29101608      9.46548011     -8.73136059
  H     12.00738540      9.59195172    -13.40295617
  O     12.55767921      6.07106895    -15.43061495
  H     12.10142328      8.51451890    -10.85304124
  H     12.63498804     10.81161871    -14.11918885
  O     17.44614525      4.22900229    -12.49337688
  H     13.09827194      9.41116386    -11.61941188
  H     18.52222805      6.92124629    -11.51504943
  O     18.80747995      8.53066388    -14.13280624
  H     16.97394886      8.99871273    -11.61800342
  H     19.01312377      7.07031101    -12.97607357
  O     15.43727326      7.91766044    -14.06685835
  H     16.28480593      8.98301364    -13.01245335
  H     14.68519790      5.82870068    -11.75077971
  O     13.87036971     12.18598366    -13.74809744
  H     15.53433201      5.33536878    -16.24349133
  H     16.01214135      5.02876459    -11.56328788
  O     14.16890419      6.39341032     -8.71566158
  H     15.08019310      4.74389013    -17.60182975
  H     16.43364282      8.62945477     -7.05428023
  O     12.06125044     10.04699668    -14.25260572
  H     12.74721942      7.37778681     -8.94258213
  H     15.41068057      9.03458910     -8.14303989
  O     18.94717037      6.44601442    -12.24028773
  H     11.30772372      7.75288744     -8.51618568
  H     16.52854000      9.13710858    -16.69816238
  O     15.39791070      5.63003314    -11.12571730
  H     16.86749976      4.89751908    -14.14934034
  H     17.78856015      9.79468164    -17.29913005
  O     16.09347064      8.38030408     -7.90909155
  H     16.40768609      6.31698435    -14.52770499
  H     15.23763495     10.32580537    -11.66301339
  O     17.34548665      9.61129072    -16.47383005
  H     12.32585807      6.91925604    -15.82790721
  H     14.14899311     11.33710748    -12.08586655
  O     14.38734481     10.70252130    -11.39927064
  H     13.28023077      5.72318282    -15.96765429
  H     14.04125819      8.50378283    -16.84624258
  O     14.97196256      8.24265454    -16.85156333
  H     18.06745286      4.97750647    -12.41264467
  H     14.99096457      7.29075825    -17.02251834
          69
 Energy    -248.53309930534283     
  O     10.16964720     12.63242954    -11.84945506
  H     10.39637611     12.34886067    -12.74364726
  H     16.68741682     10.40302536    -11.69109570
  O     14.26358904      8.86917212    -17.72378270
  H     10.38526665     11.88913185    -11.26988737
  H     15.21481087      7.89281059    -13.60703921
  O     14.87730928      9.05220821    -14.98898309
  H     13.31565836      8.85885962    -17.49792556
  H     15.68746956      8.16306163    -12.17842157
  O     12.13916399     12.81544598     -8.17161009
  H     14.38472087      8.25846942    -18.44507600
  H     13.08179261     14.95885825    -11.35454217
  O     14.35530411     11.69318274    -17.24390479
  H     15.23272950      9.94555610    -14.88091907
  H     13.83616954     16.10391556    -12.07462037
  O     12.22734933      9.14769819    -14.06715066
  H     14.78473108      8.89281969    -15.93585446
  H     13.63069194      7.28158929    -12.19213567
  O     12.67650346      8.53286519     -9.35609643
  H     12.04862210     12.93589361     -7.22990645
  H     12.37603287      6.39722222    -11.99768257
  O     13.69195600     11.11743697    -11.44060769
  H     13.06980685     12.59351154     -8.34095947
  H     16.98834543     12.59205484    -11.92263452
  O     11.29767536     10.79811963    -10.02579978
  H     14.44995460     10.77579029    -17.53074785
  H     18.38463577     12.20212789    -12.45961567
  O     16.06381005     13.64826482    -10.87929103
  H     14.93488131     11.79366532    -16.47884150
  H     11.53119594     10.83688547    -14.15137289
  O     13.62432861     12.93187755    -13.55155273
  H     12.20504177      8.56562149    -13.30014378
  H     11.25504213     11.88693067    -15.26073397
  O     16.06894222      9.76869879    -11.31173054
  H     13.15097062      9.16725789    -14.35807052
  H     14.30222805     11.81054986     -9.88781632
  O     15.27672679      7.48535017    -12.73113819
  H     12.71489541      8.06872068    -10.20333045
  H     14.98038928     11.19106839     -8.65954221
  O     13.86283081     15.16721145    -11.90104439
  H     13.58512786      8.71882955     -9.09636054
  H     16.44164881     11.76613006    -14.07922311
  O     12.69558930      7.29312360    -11.91998959
  H     12.80279232     10.97423333    -11.09154292
  H     14.97923015     12.16742132    -14.35238599
  O     17.46670547     11.94374601    -12.47061790
  H     13.64149450     11.76023968    -12.15809644
  H     12.61416562     11.94099174    -17.13814969
  O     11.25259770     11.75203668    -14.30490180
  H     11.44284972     11.44099280     -9.32046376
  H     11.32217627     12.53093007    -17.75280805
  O     14.64493631     12.02681169     -9.00485448
  H     11.65606549      9.95335822     -9.71327831
  H     15.77795874      9.40325680     -9.58915169
  O     15.73325711     11.68385093    -14.72694965
  H     15.36568171     14.22450722    -11.21484973
  H     16.03893181      8.74648451     -8.21429799
  O     11.64244606     11.94262572    -17.07442780
  H     15.70329262     13.21771112    -10.09462777
  H     11.80072892     14.02610103     -9.62646769
  O     15.43450306      9.31618838     -8.68331264
  H     13.61329597     13.77743806    -13.08711379
  H     11.10643095     13.90994570    -11.00197209
  O     11.71910279     14.45535057    -10.48447280
  H     12.72720111     12.68583335    -13.81607814
  H     11.51082138     10.02145614    -17.01188325
  O     11.69380685      9.08444672    -16.86567986
  H     15.18568215     10.15584461    -11.43236301
  H     11.70835953      8.96759422    -15.90656347
          69
 Energy    -248.53238896657126     
  O      2.70520974     -0.86077585      6.54480292
  H      3.47213970     -1.08993412      6.00180290
  H      3.62603431      2.70456944      3.20110350
  O     -0.64624336      1.62411157      7.18306692
  H      2.44910438      0.04405573      6.32526347
  H      1.62092334      1.77994221      2.77362019
  O      0.55471909     -4.90762243      2.78437096
  H     -0.80528602      0.69414183      7.42076800
  H      0.89791948      0.40880946      2.77947485
  O      2.27598291     -4.95160259      7.40215770
  H     -1.05822760      2.15381986      7.86064655
  H      5.59505079      0.28742423      0.77023371
  O      4.70002751     -1.61661061      4.79780550
  H     -0.11933781     -4.29629159      2.47050948
  H      4.64358747     -0.49344764      1.70159490
  O      3.91787687     -4.26035213      5.36230060
  H      0.37906523     -5.03688034      3.72832778
  H     -0.83409853      1.27733494      3.94386891
  O      1.18680672     -2.41758795      8.25035702
  H      2.91966075     -4.71371382      6.70994699
  H     -1.38942300      1.40347783      5.37745429
  O     -1.09087166     -1.04642273      7.56875318
  H      2.69624178     -5.60406465      7.95571487
  H      4.32010146      3.65010097      5.54951090
  O     -2.14494371     -3.71488929      6.50020364
  H      5.26817737     -0.83463078      4.74252713
  H      3.32903315      2.47485175      5.40238227
  O      3.70002921     -1.96689834      2.14822246
  H      4.32385743     -1.73444119      3.91618495
  H      0.83944503     -3.14027941      5.10429921
  O      5.96310984      0.75930401      4.28883444
  H      4.32607238     -3.38693293      5.30228014
  H      1.53304560     -1.79250329      5.50267277
  O      3.24350581      2.42216600      2.36116573
  H      3.70157520     -4.50684617      4.45560403
  H      3.57497273     -5.48282517      2.13538318
  O      0.87164766      1.29844332      3.15480661
  H      1.82460563     -1.82995488      7.81864299
  H      2.28424383     -4.77862286      2.61079715
  O      5.08401320      0.36215202      1.57267804
  H      1.51348723     -3.30910732      8.08846865
  H     -0.75282278     -1.81563586      4.72186062
  O     -1.59986143      1.07027644      4.49756395
  H     -0.31550327     -1.55837905      7.85297441
  H     -1.81101708     -0.68571418      4.54276171
  O      4.15512799      2.85024891      5.05618482
  H     -1.28700316     -1.31016558      6.66497924
  H     -1.65359992     -2.43415880      2.94576403
  O      0.95599627     -2.21474499      4.85541151
  H     -2.24689703     -3.07941360      5.77734779
  H     -2.18906681     -2.89757749      1.57574872
  O      3.25513545     -4.70676047      2.58865530
  H     -2.06785514     -3.17993664      7.29389921
  H      0.84759354     -5.02303984      6.23849034
  O     -1.70516475     -1.64490977      4.63678886
  H      3.66994136     -2.93062144      2.20308306
  H     -0.62577962     -4.58192600      5.94521075
  O     -1.39483437     -2.83473365      2.10121254
  H      2.77804051     -1.68067361      2.07082029
  H      1.45153080      1.49288076      4.85764194
  O      0.21234893     -4.83818094      5.53524306
  H      5.43006489      1.49672033      4.61127198
  H      0.99204809      1.73560844      6.32271289
  O      1.77116396      1.64518751      5.75999291
  H      5.80007661      0.71190621      3.33820102
  H      0.23784699     -1.77622282      1.93317941
  O      1.02613447     -1.35186991      2.28689844
  H      3.85520543      1.76792471      2.00181697
  H      1.10351741     -1.68083276      3.19920968
          69
 Energy    -248.53235084197263     
  O      3.05142713      0.76404904     -2.88884380
  H      3.48443534     -0.02979712     -3.22294464
  H      3.13671777      0.67752253      0.60140136
  O      0.51656530      1.30386847     -3.75738055
  H      3.15912071      0.75235712     -1.92585861
  H     -1.57552199     -2.52251697     -0.73487461
  O      1.58718965     -2.75143662     -3.04513684
  H      0.47981227      2.26275451     -3.84936045
  H     -0.16375324     -2.34475407     -0.18986878
  O      3.15810101      3.70963281     -0.09620785
  H      1.42459931      1.08587183     -3.48705450
  H      4.47873862     -1.74378216     -2.51173642
  O     -0.26382499      3.74860109      1.92156927
  H      2.47745769     -2.47954553     -3.30634711
  H      4.93527036     -2.04247375     -3.96175124
  O      2.53984621      3.22664722      2.55445449
  H      0.95704954     -2.32693864     -3.64038092
  H     -1.72942684     -0.51289740     -1.71699365
  O      0.38526929      3.55600376     -0.76943527
  H      2.22810154      3.68089662     -0.35922904
  H     -1.61191131     -1.40668810     -2.94994202
  O      3.37064240      3.59244006     -2.91129925
  H      3.13925182      3.68107741      0.87159609
  H      2.44607108     -3.61419682      0.31400303
  O      1.25406993     -4.51421313     -0.76105550
  H     -0.80805100      4.49412750      2.16372163
  H      2.67214383     -2.81865279      1.64746282
  O      2.15770530      0.41819232      2.13561232
  H     -0.07796974      3.83335955      0.97199369
  H     -0.60610921      1.88103207      1.90427243
  O     -0.31004634      0.85903886     -1.14184462
  H      2.53835411      2.26054344      2.57396542
  H     -0.68008059      0.90354593      0.70835800
  O      3.64612751      0.95071156     -0.17376604
  H      1.61033283      3.48174413      2.52856696
  H      0.94181861     -2.11206378      3.03738519
  O     -0.97651261     -2.85387648     -0.05376838
  H      0.16980116      2.61510916     -0.83380610
  H      1.97044402     -2.53539397      4.11537187
  O      4.18932731     -1.75305000     -3.44398518
  H      0.40600225      3.89035790     -1.67435490
  H      4.31982550     -2.13162431     -0.24255373
  O     -2.08988587     -1.31115548     -2.11802239
  H      3.52279338      3.76964998     -1.97330803
  H      4.60906955     -0.64912526     -0.55199144
  O      2.98252606     -2.92872185      0.74086946
  H      3.44233025      2.63440985     -3.01492233
  H      1.74731714      4.01028219     -3.37137715
  O     -0.59240327      0.94461507      1.66932658
  H      1.37847818     -4.12601775     -1.63663882
  H      0.67418899      4.87898596     -4.07604474
  O      1.89402467     -2.18998813      3.23026697
  H      0.36902835     -4.24072884     -0.48834722
  H      1.36836916     -1.74088975     -1.55943432
  O      4.81476780     -1.54920825     -0.83593132
  H      1.21675305      0.56597596      1.97022875
  H      1.91977088     -1.65860535     -0.12190381
  O      0.78848422      4.11555391     -3.51692043
  H      2.21959410     -0.42385735      2.60089691
  H     -0.94554441     -2.25712161      1.71750192
  O      1.27010921     -1.26950877     -0.71962494
  H      0.30452909      0.13669644     -0.92428899
  H     -0.82163390     -0.84901866      2.33961183
  O     -0.68611302     -1.78697322      2.52174176
  H     -0.16700971      1.05057109     -2.07846717
  H     -0.08142671     -0.30413780     -4.33081067
  O     -0.34483737     -1.22848086     -4.46858089
  H      3.64843149      1.91581970     -0.15779294
  H     -0.69279440     -1.28540065     -5.35573558
          69
 Energy    -248.53221751614069     
  O     14.42645768     10.27989432    -12.42359049
  H     14.91107415     10.30223791    -13.25802810
  H     17.30046246      5.54272260    -11.61620630
  O     19.43370085      6.91356117    -13.44288163
  H     13.65415032      9.71551703    -12.55742308
  H     15.22983693      4.10751057    -14.49882463
  O     12.54684525      4.25478148    -12.43747573
  H     20.35456079      7.16062374    -13.45812166
  H     14.48854706      5.41811587    -14.16327563
  O     13.79913210      1.83554388    -11.62256099
  H     18.93343439      7.71427556    -13.20455428
  H     13.94805544      7.45719696    -13.18717047
  O     17.93207268      5.87939542    -15.66438353
  H     11.84171551      4.83717089    -12.74089986
  H     15.29747527      6.88863783    -12.67082191
  O     15.94720719      7.76394793    -15.80315098
  H     13.20207030      4.24097313    -13.15320839
  H     15.49630695      9.70359386    -11.17745613
  O     17.98820467      9.11654032    -12.78140455
  H     13.21488742      2.54494204    -11.91777440
  H     16.17824601      9.89944815     -9.80308843
  O     14.97390954      2.86808483     -9.20296459
  H     14.09019635      2.08732762    -10.73745471
  H     14.55343678      7.60751099    -16.96966698
  O     16.19738887     10.24720814    -14.70379437
  H     17.63311022      5.01450677    -15.35771557
  H     14.03839951      7.39011788    -18.39899123
  O     16.12933653      1.22438704    -12.91435393
  H     18.51905037      6.21578002    -14.97533426
  H     12.67974613      6.35917642    -16.51080393
  O     17.23502956      2.63462861    -10.66949591
  H     16.67480265      7.13255814    -15.89643748
  H     12.98026519      5.15173246    -15.59925827
  O     17.97600592      4.97844246    -12.02196673
  H     15.49920125      7.53054929    -14.97453513
  H     17.30401454      4.06250418    -13.46594162
  O     14.35477503      4.51150002    -14.48221240
  H     17.45862089      9.56183229    -13.45411310
  H     16.74761903      2.69253861    -13.90949228
  O     14.76442357      7.02099023    -13.46422039
  H     17.49180203      9.20395293    -11.95980020
  H      9.91296240      6.17493672    -13.86291975
  O     16.15875958      9.33103244    -10.56782271
  H     15.08674556      2.43129145     -8.36329612
  H     11.30149669      6.06006989    -14.53511714
  O     13.74729716      7.48682458    -17.49506529
  H     15.82937353      2.81103075     -9.66641780
  H     15.23252660      6.15591956    -10.62533273
  O     12.26591429      5.72104388    -15.91442699
  H     16.12626904      9.41535027    -15.20201981
  H     16.03232722      7.50783711    -10.71618344
  O     16.96296820      3.57673460    -14.23157433
  H     16.29934037     10.94443871    -15.34660614
  H     11.81362868      7.64484326    -12.96252122
  O     10.84859163      6.20606432    -13.68325876
  H     16.13282760      0.30044421    -13.15000288
  H     12.39535940      8.08410111    -11.59215538
  O     16.00468604      6.58899048    -11.01320312
  H     15.25497416      1.41041305    -12.52890817
  H     12.85466192      6.73937180     -9.82855875
  O     12.45205481      8.23816772    -12.54767066
  H     17.62818168      3.42804730    -11.05727222
  H     11.88088897      7.65811856     -9.07089394
  O     12.41141308      7.60186941     -9.86158739
  H     16.99703252      2.06622736    -11.41234559
  H     14.14748408      4.43392702     -9.69320659
  O     13.75898204      5.20493140    -10.12516370
  H     18.60224788      5.57454737    -12.44987329
  H     13.32182649      4.88933651    -10.93047626
          69
 Energy    -248.53210818395365     
  O     12.82088373     10.80879638    -16.17015869
  H     12.04528298     10.68519323    -15.59868117
  H     15.91677381      7.13789693    -18.34979842
  O     15.50403977      7.60532006    -13.19391741
  H     13.15952772     11.69795528    -16.01768537
  H     19.07528707      9.25478305    -13.62951160
  O     16.25203579     11.60149052    -11.17996533
  H     15.25608290      8.38644360    -13.71395865
  H     18.41879459      9.32402332    -12.22536219
  O     16.71562210     12.64093984    -15.40347049
  H     16.04983541      7.93603937    -12.46741550
  H     16.52528131      9.30893060    -16.96609493
  O     13.04013466      8.10511357    -16.77103914
  H     15.45614615     11.82211000    -11.68783798
  H     16.24381341      9.98607254    -15.61723462
  O     12.26257598     10.37598166     -9.14385771
  H     16.98907494     11.96937070    -11.68063557
  H     14.13439688     10.05049881    -15.09038584
  O     12.87949879      7.65725029    -12.31936163
  H     16.89872241     11.82710594    -15.88900854
  H     14.78178127     10.63596106    -13.82242630
  O     14.11564356     12.04647574    -12.78630493
  H     17.24234290     12.59762061    -14.59543998
  H     10.86067582      9.15712501    -14.51985653
  O     16.89740840      6.55635349    -15.38042560
  H     12.93130388      9.06643821    -16.78892614
  H     11.11826568     10.29961347    -13.52334990
  O     13.03840754      7.80744462     -9.50507221
  H     13.93928591      7.92699253    -17.06791281
  H     15.56476053      9.11573703     -8.62471653
  O     19.00842227      8.50439810    -15.34619620
  H     11.59423757     10.46913452     -8.47025300
  H     16.15387218      7.88910968     -7.88420278
  O     15.74986014      7.66899643    -17.57551988
  H     12.47642800      9.42585443     -9.20090975
  H     10.86169776      6.62120594    -15.01935254
  O     19.02352011      9.78238343    -12.82362769
  H     13.80079880      7.53025611    -12.58660713
  H     12.04038719      7.51765708    -15.46177131
  O     16.88383383      9.95678908    -16.34664683
  H     12.33896742      7.43865078    -13.08888443
  H     18.61333513     11.45492181    -12.97569202
  O     14.86957621      9.93099903    -14.47458555
  H     13.92962879     12.56055859    -13.58050883
  H     19.03112171     12.93632767    -12.82259082
  O     10.82448244     10.11720872    -14.42572104
  H     13.32897572     11.53835569    -12.53825081
  H     16.65252543      9.79829180    -11.18455166
  O     15.78438292      8.16997362     -8.71709880
  H     16.39191402      6.75634475    -14.57994583
  H     16.65049189      8.50705242    -10.33161712
  O     11.44683124      7.31121771    -14.71770481
  H     17.72373377      7.04699663    -15.29478061
  H     14.12718002     10.82356806     -8.87344596
  O     18.28574679     12.37214063    -13.01290900
  H     13.97599266      7.75742736     -9.28285124
  H     15.49531132     11.21212659     -9.49682764
  O     16.92713981      8.86946063    -11.18190536
  H     12.95870743      7.60504409    -10.44719178
  H     12.06765378     10.46810394    -10.99030828
  O     15.08128342     10.79047958     -8.73207727
  H     19.75589304      8.54120739    -15.93837943
  H     12.43355526      9.43245379    -12.08337888
  O     12.13534154     10.34351341    -11.94478221
  H     18.32159870      9.07957522    -15.72428067
  H     15.01519217     13.07806715    -15.39949002
  O     14.05775189     13.24989596    -15.34240598
  H     16.12558184      7.18644617    -16.81673802
  H     13.92025206     14.14442458    -15.64234801
          69
 Energy    -248.53191302465513     
  O     17.27335394      9.53010155    -15.01162571
  H     17.94427528      9.49204235    -14.31473054
  H     13.88227175     10.21148005    -14.03917471
  O     13.28252648      8.45416644    -10.26122647
  H     17.33155214     10.37878423    -15.46838600
  H     19.17309666      4.64414261    -10.92654942
  O     17.11622495     12.04361483    -16.22083896
  H     13.86921324      7.93033083    -10.83518454
  H     18.18794162      4.96645053    -12.07455535
  O     11.81278586      8.57821567    -12.83545798
  H     12.86550621      7.83706880     -9.66338815
  H     15.10262543      8.24090568    -12.44407856
  O     16.21511525      7.13368857    -15.89350661
  H     17.20488731     12.27536099    -17.14128324
  H     14.95044329      6.70210599    -12.68543843
  O     18.89188771      9.31601086    -12.78003055
  H     16.19445541     12.23860715    -15.96730333
  H     19.69475987      7.73919676    -13.42416827
  O     19.06122839     11.97136568    -11.89745775
  H     12.12704087      9.30194831    -13.39504461
  H     19.67124414      6.30898395    -12.86255212
  O     17.51038742      7.80332572    -10.85890921
  H     12.20589079      8.70291588    -11.96618757
  H     14.90368619     14.45620835    -12.29091506
  O     12.12484231      6.41495805    -14.46963238
  H     16.98230896      6.55207094    -15.96569516
  H     15.59756114     13.08195367    -12.15704111
  O     14.64466132     12.60147843    -15.30378224
  H     16.56860176      7.99361978    -15.62263368
  H     19.07257784      6.05290460    -15.00463458
  O     13.54793921      8.15164791    -16.29910813
  H     19.07132138     10.20635923    -12.45545367
  H     19.16512049      5.17996976    -16.27835097
  O     13.12858835     10.33113975    -14.63789157
  H     18.39994272      8.85151698    -12.08691013
  H     16.00083502      9.78607118    -13.78294763
  O     18.80181044      5.36348280    -11.43009666
  H     19.75591522     12.45144687    -11.45482603
  H     15.67183765     10.51331034    -12.44124698
  O     15.05838260      7.37617703    -12.00453566
  H     18.76580523     12.52178469    -12.64560107
  H     17.80589237     13.00181481    -14.74644927
  O     19.88553051      6.82070548    -13.65282463
  H     16.65471858      7.59132079    -11.26359513
  H     17.11310406     13.71622312    -13.57216923
  O     15.35226774     13.77804016    -12.78974373
  H     18.01738722      6.98251932    -10.88589151
  H     17.27099824     11.79794112    -11.32350603
  O     18.54717762      5.55536383    -15.65684778
  H     11.97936910      7.14923641    -13.84712940
  H     16.12686100     11.11971026    -10.50197989
  O     15.34395627      9.86704272    -13.07736917
  H     11.26949330      6.03245428    -14.64618025
  H     15.23564228      6.12549144    -14.74103771
  O     17.97485359     13.42345755    -13.89467367
  H     13.99553651     11.89817513    -15.16979926
  H     13.82177853      5.72692844    -14.22552460
  O     16.31314386     11.74614023    -11.21798788
  H     14.75339444     13.04079012    -14.45150911
  H     14.93959777      9.33860418     -9.64024863
  O     14.76696302      5.59221517    -14.08049893
  H     14.44494765      7.79811291    -16.33493499
  H     16.45225843      9.03049634     -9.78789928
  O     15.82143123      9.70373366     -9.50035800
  H     13.02573099      7.50067416    -15.81444957
  H     16.29224121      4.63691946    -13.54678800
  O     17.21327173      4.38334069    -13.40411849
  H     13.22775581      9.65538073    -15.32607541
  H     17.67242947      4.62658347    -14.21794898
          69
 Energy    -248.53103329870899     
  O     -1.77026860      0.66685179      3.60942323
  H     -0.81082059      0.82000848      3.66811949
  H     -3.28701670      5.91478084      1.15630495
  O     -3.36174811      1.72671841     -2.78682369
  H     -1.97646052     -0.00698269      4.25174198
  H     -2.68306063      4.74644225     -2.69133883
  O     -2.80760210      3.82137736     -4.37708755
  H     -3.76173605      2.07859535     -1.98085722
  H     -3.04864320      4.27532564     -1.26329183
  O     -4.44756688      4.59754458      1.93900668
  H     -2.59010112      1.21845472     -2.50224991
  H      2.59654218      3.84191995      2.92839211
  O     -1.08699080      0.56307193     -1.58366424
  H     -3.54917948      4.00720860     -4.94692257
  H      2.99523779      3.88566434      4.41983066
  O      0.82884279      2.43538610     -2.43055685
  H     -3.03512399      3.01918036     -3.86996763
  H     -0.14008193      3.81560752      0.35218081
  O     -0.30066314      6.89450232      2.06423172
  H     -3.87175280      4.14695892      2.58318422
  H     -0.29288169      3.66771336      1.89697181
  O      0.93595237      1.09022113      3.62499550
  H     -5.21346276      4.89727802      2.42132166
  H     -3.40909545      2.32482096      0.13012605
  O      1.53505050      1.02707429      0.89644745
  H     -0.48729971     -0.17898137     -1.42471618
  H     -4.28767813      3.55470765      0.40692780
  O      0.79563142     -1.19355736     -0.62039224
  H     -1.49390337      0.74969647     -0.72492073
  H     -2.53901155      2.44212079      3.71933674
  O      3.06897461      4.32144401      1.30141740
  H      0.59496337      2.68034865     -3.33745813
  H     -1.94574634      3.86187065      3.73133279
  O     -2.67067700      6.47860484      0.67291943
  H      0.17646236      1.78721513     -2.13075847
  H     -2.16288732      0.87853388      1.76059607
  O     -2.59094773      4.97065456     -1.75906877
  H     -1.12716022      6.84126810      1.55977888
  H     -1.53374048      2.01502010      0.94020918
  O      2.29785678      3.61711363      3.82743173
  H      0.41759944      6.90475728      1.42296585
  H      0.58181892      4.35567895      3.73912136
  O     -0.25226594      3.17776153      1.06566162
  H      1.24771913      0.87561196      2.73543009
  H     -0.29299182      5.47437127      3.07263325
  O     -3.95875017      2.99233554     -0.30617805
  H      1.38272876      1.91646192      3.84446460
  H      2.06967820      7.23166161     -0.49277622
  O     -2.78096043      3.37338858      3.68223143
  H      0.89743599      1.75244604      0.98225486
  H      1.17113337      5.97364140     -0.44039041
  O     -2.15688099      1.27113325      0.88122871
  H      2.25308994      1.38433560      0.36085925
  H      0.38909960      4.03047714     -1.67900096
  O     -0.31503254      4.59170392      3.47700626
  H      1.06386791     -0.47919363     -0.01984024
  H     -0.83719671      4.94659161     -1.39897106
  O      1.76643091      6.53628321      0.08540779
  H      0.89548242     -2.00402366     -0.12736804
  H     -0.00337233      3.04839115     -5.80411643
  O      0.09679692      4.80986345     -1.18846717
  H      2.69648833      5.13936102      0.94777997
  H     -1.03953232      3.49290490     -4.76004828
  O     -0.10904978      3.24811859     -4.87700927
  H      3.15002278      3.72222495      0.55117560
  H      2.36840744      2.43428659     -1.50941128
  O      3.13893019      2.44679717     -0.91667480
  H     -2.68451382      6.15382056     -0.23449037
  H      3.89501710      2.20907071     -1.44773286
          69
 Energy    -248.53070674664986     
  O     14.45991988     10.93103551    -15.55379213
  H     15.03677971     11.08528881    -14.79689971
  H     16.29723838      3.85974198    -17.30725064
  O     13.67402892      4.98296025    -16.69907410
  H     15.04896724     10.90166857    -16.31681539
  H     17.90483073      7.45183200    -15.08864308
  O     17.59318710      6.89382785    -12.33788208
  H     14.29897892      4.56633137    -17.30274982
  H     19.30414675      6.96316670    -15.43895416
  O     19.46098340      5.62457365    -16.83283941
  H     13.42992881      5.82620267    -17.09954627
  H     16.04411296      7.43056302    -16.52161232
  O     17.56784601      6.01494440    -18.75627611
  H     16.82666950      7.44059776    -12.57351029
  H     16.31721500      6.10836209    -15.75938323
  O     13.30102409      6.63965034    -10.26871164
  H     18.26006497      7.09480069    -13.00541688
  H     12.64618027      8.40495472    -14.58534254
  O     13.83351398      4.94108609    -13.96034571
  H     18.84761096      5.82762700    -17.56286345
  H     13.24770004      9.57503757    -15.42426528
  O     15.49373997      8.34484837    -13.34163418
  H     20.25921427      5.29091270    -17.23343914
  H     15.78275764      2.45784663    -10.30161726
  O     17.15137164      4.29753639    -15.84579286
  H     16.97890335      5.25052149    -18.75139993
  H     14.77270937      3.43302720    -10.95693037
  O     13.18040748      3.99284607    -11.40070864
  H     16.98790838      6.78559017    -18.68484226
  H     12.86718582      7.99485468    -16.94901369
  O     18.18477324     10.23760919    -15.49782180
  H     14.26272923      6.51253277    -10.18816706
  H     12.25199241      7.66594564    -18.33075040
  O     15.83411980      3.79975659    -18.16273397
  H     12.99465177      6.95496979     -9.42252265
  H     16.94682187      5.26801965    -12.88625351
  O     18.83495250      7.54080580    -14.82627423
  H     14.76661226      4.80333766    -13.75775893
  H     16.35816172      3.91582666    -12.40216220
  O     16.22948373      7.06095747    -15.64871854
  H     13.73280753      4.90192107    -14.92292956
  H     15.99500964      5.10522435    -10.21170815
  O     12.67524364      8.79458166    -15.46537194
  H     15.67045054      7.95146554    -14.21011114
  H     16.65488799      6.40125806    -10.71853327
  O     15.71838192      3.28219197    -10.77507780
  H     14.58875226      8.09864389    -13.11410355
  H     15.95103959      8.99620708    -18.07831380
  O     13.03338995      7.54436699    -17.79857520
  H     17.03630063      4.21573776    -14.88896660
  H     14.78409265      7.94849238    -18.16781713
  O     16.55467225      4.43744957    -13.18962373
  H     18.02748714      4.66153755    -16.02569296
  H     12.92155372      7.22544231    -12.01846111
  O     15.97683455      6.06648958    -10.11962516
  H     13.04704446      4.83825829    -10.95478534
  H     13.19630102      6.53156986    -13.37405837
  O     15.74444059      8.05900295    -18.19215202
  H     13.23472126      4.20237904    -12.34409165
  H     16.05174680     10.00240882    -13.30615308
  O     12.95625248      7.38070282    -12.97021360
  H     17.68451511     10.54008303    -14.72830308
  H     16.41593180     11.29800046    -12.54158488
  O     16.38366927     10.91138565    -13.41245585
  H     18.57662105      9.39057782    -15.25424057
  H     16.81755542     11.38985272    -18.10852993
  O     16.49761008     10.66493714    -17.57810492
  H     15.84882527      2.88096306    -18.41900150
  H     17.16003637     10.51447514    -16.87953674
          69
 Energy    -248.53067230606075     
  O     17.27935522     10.69707331    -16.64321325
  H     16.40590278     10.92856325    -16.30082889
  H     18.31115650      6.10595049    -12.51685522
  O     15.58714936      5.57436462    -13.91054131
  H     17.93226274     11.16150583    -16.10240795
  H     22.26157777     10.09736936    -15.76001198
  O     17.97702707     13.91287572    -13.66163585
  H     16.09228068      5.57047125    -14.73665881
  H     20.99427123      9.45175236    -15.14937596
  O     20.08131073      8.59609123    -13.89337872
  H     16.20599343      5.80995156    -13.21035316
  H     17.40844866      7.55390628    -15.52914952
  O     15.65104293      7.20076574    -18.39615686
  H     18.43005038     13.29518394    -14.25110477
  H     17.51245501      9.10394985    -15.73397777
  O     16.11295120     11.84506864    -11.18832675
  H     17.03408767     13.71744472    -13.73108348
  H     17.25534020      8.15551590    -11.46450929
  O     15.33783863      9.02697621    -13.61724836
  H     19.93883212      9.25217911    -13.19766431
  H     16.31358015      9.13177101    -12.16938771
  O     19.65606519      5.87877784    -13.63317885
  H     19.22027222      8.47670789    -14.32795747
  H     13.75266249      8.13686397    -16.02103350
  O     13.45940788      7.12713448    -14.42809980
  H     15.06075459      7.75658807    -17.85645692
  H     14.17391426      9.56274434    -16.44379115
  O     19.71829774      5.44108274    -16.49264391
  H     15.13978887      6.90683496    -19.14553360
  H     19.09797032     13.81687372    -10.64429949
  O     16.98918441      5.93566459    -16.28359579
  H     16.30698587     10.90615728    -11.09224911
  H     18.46474403     13.52102229    -12.02717042
  O     17.56938166      6.27994855    -11.91130717
  H     16.94466504     12.30432485    -11.01246183
  H     18.40613389     10.09341255    -11.99865922
  O     21.31620820     10.02406148    -15.86828615
  H     14.63377969      8.38657313    -13.77538798
  H     19.13966154     11.44809955    -11.80953421
  O     17.58439413      8.39219160    -15.08356155
  H     16.12063958      8.72661016    -14.10761281
  H     15.46098941     12.62792625    -12.65175703
  O     16.99004268      9.08256187    -11.47497506
  H     19.68164463      5.59647957    -14.55427739
  H     14.57249881     13.77804032    -13.17209101
  O     14.04069301      8.66751706    -16.77510062
  H     20.00517542      6.78176439    -13.63673562
  H     20.66505558      8.63547644    -17.09244320
  O     18.66383602     13.13833870    -11.15311159
  H     14.16504571      6.47988369    -14.24262346
  H     19.47730026      8.21740231    -17.98780056
  O     19.16582560     10.61606280    -12.29574998
  H     12.64997593      6.76321146    -14.08105598
  H     14.96836074     10.38618416    -14.70757227
  O     15.22028344     13.13356353    -13.44790391
  H     20.25052497      4.79773247    -16.95240262
  H     14.87029476     11.90423589    -14.85571017
  O     20.24697170      7.87525152    -17.50673585
  H     19.95934314      6.31405204    -16.85487538
  H     19.14163820     11.31281633    -14.05322581
  O     14.83163314     11.08644937    -15.36512218
  H     16.57358130      6.25515414    -17.09507423
  H     19.99362086     11.31659163    -15.34363716
  O     19.22204477     11.72016138    -14.92761460
  H     17.89544748      5.66234032    -16.47779955
  H     17.71343617      9.63475699    -18.08918728
  O     17.95792799      8.88199528    -18.64564269
  H     17.65112380      5.64442284    -11.20334768
  H     17.17873514      8.31542059    -18.67441741
          69
 Energy    -248.53063891544573     
  O     13.13541951     11.36005830     -8.41173128
  H     12.99775507     11.15689415     -7.49090652
  H     13.83468225     12.99915949    -12.45863619
  O     11.24584465     11.14281844    -15.30976033
  H     13.35768035     10.52212589     -8.85857937
  H     12.12798787     14.17899914    -15.60261835
  O     13.66158284      9.14476891     -9.85085341
  H     11.49109181     11.29480093    -16.23094384
  H     12.46051267     13.52812254    -16.96294473
  O     18.17073778     13.45216901    -12.69378852
  H     11.34661645     11.98849363    -14.85181990
  H     15.38399130     11.54551045    -12.84536505
  O     11.61894471     12.41706958    -10.51750577
  H     14.46619058      8.94468476    -10.34223069
  H     14.15695675     10.96247045    -13.62909477
  O     11.58272873      9.76975968    -11.62412357
  H     12.93156827      9.14129923    -10.48514295
  H     16.97963825     13.00153155    -15.42698772
  O     13.07217826      9.55258891    -13.95647541
  H     18.12346262     13.10781465    -13.60439894
  H     17.58662664     11.58464758    -15.42997031
  O      9.44180681     10.31138056    -13.27058658
  H     19.04089988     13.82611858    -12.58437787
  H     13.20928121     11.54409725    -17.66856820
  O     15.19428568     13.60455291    -15.43363337
  H     12.03184973     12.12377174     -9.69500549
  H     12.09900889     11.62366422    -18.74485147
  O     14.87563369     11.36044136    -17.19623830
  H     12.26449820     12.97306356    -10.97564143
  H     16.84919887      8.30088170    -10.79435540
  O     11.39042786     13.62847788    -13.93293048
  H     11.64349558     10.66198653    -11.26038620
  H     16.42476614      9.69448141    -11.31384880
  O     13.53015669     13.81186209    -12.02049049
  H     10.76597426      9.76203569    -12.14489141
  H     15.84239563      8.47329246    -13.10811351
  O     12.70941777     14.24842114    -16.37087886
  H     12.60934758      9.51155355    -13.10837355
  H     14.69315775      8.71058952    -14.10556146
  O     14.63985907     11.77075826    -13.41782163
  H     12.47023758     10.00424234    -14.56323328
  H     17.52563108      9.24737266    -16.43361968
  O     17.76931977     12.50004908    -15.18396463
  H      9.92088483     10.48918053    -14.09144746
  H     16.52246131      9.36672031    -15.26558108
  O     12.27783863     11.78542551    -17.82275396
  H      9.22810982     11.17767798    -12.90408369
  H     16.18886382     11.88445431    -10.80404762
  O     16.14755976      8.76435960    -11.24610107
  H     14.36049275     13.94907538    -15.78766270
  H     17.30541254     12.06118664    -11.86895937
  O     15.63632491      8.50124929    -14.04918705
  H     14.98043129     12.94757844    -14.75086881
  H     10.08128279     12.76545585    -11.39876058
  O     16.97427068      9.86954320    -15.96572066
  H     15.04391170     12.18455982    -16.72340565
  H      8.69128661     13.41510345    -11.59099755
  O     16.67812132     11.42442902    -11.50466214
  H     15.54286017     10.74474790    -16.87278666
  H     16.57547364     14.64964644    -12.76552000
  O      9.38613429     12.95157702    -12.05208790
  H     10.60005874     13.51453311    -13.39015409
  H     15.59895112     14.81656823    -13.93112955
  O     15.74766567     15.07788502    -13.01353380
  H     12.11063503     13.82476933    -13.32162231
  H     14.50816968     12.38108555     -9.19347005
  O     15.14080255     12.84316516     -9.75802866
  H     14.19789584     14.47348862    -12.25294324
  H     14.61715351     13.35703491    -10.38170585
          69
 Energy    -248.53037709673777     
  O     10.98771320     10.32645092    -12.07879320
  H     10.69465758      9.96663022    -12.92638307
  H     16.65580088      6.05576299    -16.59007218
  O     14.00154788      6.92967279    -15.03058749
  H     11.93727176     10.47105356    -12.16881226
  H     19.15074326      5.55998439    -16.26532917
  O     16.18797787     10.99543074    -11.43274329
  H     14.55088091      6.63535313    -15.77322190
  H     18.55094024      6.98461503    -16.26880552
  O     18.45495528      8.54161796    -17.02449571
  H     13.60184010      7.78302508    -15.24098608
  H     15.27283442      7.85065024    -14.14470448
  O     13.01620703      9.55189422    -15.07693188
  H     16.55518140     10.41880437    -10.75039909
  H     15.36464298      8.97007344    -13.07495732
  O     15.77161252      7.04658798     -9.79199499
  H     16.93619941     11.23655568    -11.99102651
  H     10.64067420      9.03930948    -10.92586551
  O     13.43968118      5.76253448    -12.63903357
  H     18.16382805      9.21313336    -16.39231096
  H      9.94717900      8.39148333     -9.70107516
  O     13.85048961     10.03473018    -12.39601124
  H     17.77717359      8.52795715    -17.71195508
  H     18.61287675      8.86102895    -11.07419301
  O     16.11184682      8.45239583    -18.64849206
  H     13.33371933      9.79765406    -14.19698995
  H     18.84877894      7.96543043    -12.30840030
  O     16.06688128      4.97919400    -11.76503701
  H     12.07127689      9.37308437    -14.98650965
  H     11.55483717      6.19335284    -12.77836073
  O     17.23626265     10.26773665    -15.18335488
  H     14.88275767      7.36158378    -10.00780695
  H     10.57483573      7.04997771    -11.94704352
  O     15.77446579      6.20930630    -16.94893586
  H     15.92374125      6.28480032    -10.36216729
  H     19.36036821     11.82776382    -12.82546179
  O     18.47381539      6.10033804    -15.86609820
  H     14.26682763      5.36217798    -12.34714919
  H     18.86873339     10.37362556    -12.62835359
  O     15.89176297      8.39236132    -13.63494559
  H     13.60227421      6.10186780    -13.53401396
  H     17.17156190      7.25499886    -13.27461881
  O     10.57093423      8.22134291    -10.40109168
  H     14.59296167     10.53520531    -12.02267837
  H     18.13002705      6.32765327    -14.06273549
  O     19.11347486      8.79713840    -11.89895322
  H     13.66219374      9.29152587    -11.80240881
  H     17.67982395      9.29493972     -8.73316337
  O     10.72271939      6.67954830    -12.82637906
  H     15.66757032      9.11777797    -18.09167992
  H     16.85592942      8.37270699     -9.66118999
  O     18.61367346     11.25188721    -12.96497724
  H     15.90535102      8.66905395    -19.55313238
  H     14.27317102     10.09764983    -16.36871304
  O     17.83821820      6.55598393    -13.17066589
  H     16.41632297      4.10392906    -11.61530069
  H     15.78106735     10.44265769    -16.35740530
  O     17.43545878      9.15519376     -9.64409395
  H     16.74041226      5.46488634    -12.27010076
  H     13.32747764      7.11214237    -11.45488198
  O     15.03436990     10.25186631    -16.94156624
  H     17.75664732     10.75353684    -14.53304723
  H     12.40087721      7.92086623    -10.50077183
  O     13.31062133      7.83592758    -10.80991456
  H     16.77728575      9.57604730    -14.68435200
  H      9.58886881      8.74804728    -14.96451811
  O     10.38490847      8.84394353    -14.44870015
  H     15.87031456      6.90826269    -17.60949529
  H     10.49373434      8.01946968    -13.94193689
          69
 Energy    -248.53028894833747     
  O     16.99210031     10.43158854    -13.98917732
  H     17.85571101     10.23065616    -14.34382884
  H     14.83001713      3.46521155    -11.79835972
  O     14.58085974      4.00087161    -16.30883530
  H     17.07224257     10.35048386    -13.02246596
  H     13.92195315      4.68135105    -13.32261790
  O     12.57102437      8.39884339    -12.77733113
  H     14.82288105      3.35209466    -16.96367509
  H     14.69277928      3.93395788    -14.44255605
  O     13.51447755      6.01654815     -8.78752055
  H     15.20929022      4.74039677    -16.39622084
  H     14.11638070      9.24338270    -10.12378678
  O     12.18608544      5.46172561    -15.78975394
  H     11.95951617      8.71120592    -13.46258591
  H     13.31194727      8.32897304    -11.08913603
  O     15.10976213     11.17098133    -16.01938138
  H     13.45906613      8.41503569    -13.17457470
  H     15.63430879      9.16775665    -13.90619210
  O     16.26651052      6.12379181    -16.32736696
  H     13.57767814      6.88780850     -9.20370947
  H     15.52656287      7.62528961    -13.76911583
  O     14.69642359     11.02085375    -10.17748479
  H     14.41615388      5.67515347     -8.75376783
  H     11.44044935      8.95925330    -15.68901230
  O     16.15198027      4.93238367     -9.20902069
  H     12.94487199      4.91287164    -16.02346559
  H     11.67643029     10.33922044    -15.02589166
  O     14.66629077      8.45245582    -16.67497372
  H     12.12088958      5.44251972    -14.82697943
  H     13.56752641     11.71464523    -15.42832788
  O     12.06690634      4.41458326    -10.42345540
  H     15.79364945     11.08061425    -15.34460051
  H     12.44484673     12.77745068    -15.45802841
  O     14.70812068      3.32211349    -10.84989358
  H     15.02172494     10.30092069    -16.43169822
  H     12.16680451      5.18988556    -12.10279227
  O     14.72411176      4.16975775    -13.50776473
  H     15.81160443      6.94212219    -16.56746111
  H     12.38398323      6.54292305    -12.84325825
  O     13.87321346      8.32630934    -10.30264765
  H     16.57954144      6.23021367    -15.42070443
  H     11.98999333      6.94658334    -16.64211320
  O     15.01255039      8.42974446    -13.92629185
  H     14.14957082     11.21862419    -10.95970667
  H     11.42431742      7.68215231    -17.88049648
  O     11.27454215      9.47215015    -14.88809157
  H     14.54332246     11.71965240     -9.54744671
  H     12.78502771     10.33144995    -12.43367777
  O     12.70316518     11.95509484    -15.05063162
  H     16.71462437      4.41852319     -8.63621650
  H     12.99588014     11.62980240    -13.21450369
  O     12.39025358      5.58423297    -12.95614768
  H     15.70179349      4.30222911     -9.80028669
  H     16.66753805      6.53676644    -12.53598230
  O     11.95047937      7.80858412    -17.09556956
  H     14.68248689      8.43029837    -15.70538096
  H     16.00163632      5.45482146    -13.42689032
  O     13.10332460     11.23624470    -12.34063071
  H     13.75662788      8.25897448    -16.93379774
  H     17.01382920      9.01028676    -11.11214786
  O     16.57407263      6.23565956    -13.45048531
  H     12.51602821      5.00199743     -9.78917975
  H     16.33090295     10.37592478    -10.87075882
  O     17.06383815      9.94899658    -11.33247130
  H     11.31914027      4.03674686     -9.96835665
  H     15.52451387      7.57031549    -10.71518923
  O     16.41405606      7.20892076    -10.83589596
  H     13.77853286      3.51648376    -10.68018325
  H     16.47296902      6.45134895    -10.24004862
          69
 Energy    -248.53010914756879     
  O     13.85289917     12.05463095    -15.62731424
  H     14.32100332     11.29903252    -15.24353425
  H     20.48681614      8.34771733    -13.60676323
  O     18.81535836      7.98038622    -10.37678333
  H     14.53327760     12.57285936    -16.08252109
  H     17.99862659     14.60334890    -14.15735581
  O     15.85132496     10.72321354    -12.04192789
  H     18.98580065      7.79740030     -9.45602440
  H     16.79485618     13.76298625    -13.66902319
  O     12.62034895      9.74619637    -16.68890965
  H     17.85355680      8.08505467    -10.46688695
  H     14.61112459      8.42618989    -18.80280963
  O     16.01342012      6.56372061    -13.24734435
  H     16.03158932      9.91697642    -11.54138119
  H     14.02171462      9.05873104    -17.52281354
  O     13.31569517      6.42686289    -12.72290403
  H     15.56919547     10.43971705    -12.93003168
  H     15.50613226      9.17022866    -14.90854444
  O     18.65706234      6.19198961    -12.64979346
  H     12.88377800     10.65283561    -16.47851984
  H     14.11193956      9.43678021    -14.29261210
  O     12.73109972     13.05813878    -13.36289838
  H     12.35420092      9.35228070    -15.84914333
  H     16.25456780     10.06409991    -17.76106875
  O     18.50399668      9.29469447    -15.58790591
  H     16.91333887      6.27045014    -13.03974435
  H     17.59394465     10.22884039    -17.01284832
  O     16.14508583      8.20243244    -10.95637928
  H     16.04610541      6.91084755    -14.15020328
  H     13.26559687      7.53780848    -11.13985705
  O     16.07487258     13.18327558    -16.69269697
  H     14.26889513      6.38664694    -12.90962066
  H     13.05787684      9.01638967    -10.75606356
  O     20.45234795      7.69717785    -14.33233052
  H     12.99268174      5.52958202    -12.75441819
  H     19.79760984      9.07415572    -11.58293515
  O     17.55972105     13.76407445    -14.27163848
  H     18.82802380      6.66758450    -11.82818515
  H     19.65225255     10.18635068    -12.65336578
  O     14.83739385      8.70847988    -17.92030488
  H     19.25893194      6.57504202    -13.29969785
  H     15.63117349     12.59424629    -12.19358595
  O     14.99258582      9.81914124    -14.41512965
  H     12.05775338     13.70868585    -13.54395392
  H     14.53227868     13.49224134    -12.78273065
  O     16.95782658     10.69438569    -17.56887663
  H     13.06424171     12.74963115    -14.22436516
  H     13.89172039     10.69133728    -11.78772508
  O     13.44884023      8.18966806    -10.45054426
  H     19.22627629      8.72049802    -15.30425470
  H     12.69736685     11.50905456    -12.28752538
  O     20.24779364      9.50068368    -12.32312515
  H     18.40475435      9.96763381    -14.89989421
  H     17.51664817     11.00734340    -12.91629713
  O     15.46637839     13.47909883    -12.54493051
  H     16.12709949      7.68250329    -11.77256512
  H     18.17279408     12.06924422    -13.82089483
  O     12.93127199     10.66442376    -11.87984200
  H     15.24826330      8.17609065    -10.59263255
  H     12.63354307      7.94008438    -13.59828694
  O     18.27471806     11.16680248    -13.49076387
  H     16.64594452     13.42014858    -15.95384582
  H     12.42945239      9.43375433    -13.21984278
  O     12.44786560      8.81499672    -13.96362060
  H     16.44175581     12.36927100    -17.07121443
  H     15.78992260      7.91513084    -16.55965305
  O     16.25630660      7.72696547    -15.73460429
  H     21.35417102      7.48007395    -14.55311369
  H     17.10563458      8.19380993    -15.75676799
          69
 Energy    -248.52996909306563     
  O     12.85827157     11.76646562    -10.15063960
  H     11.96517342     11.41912320    -10.04589419
  H     17.03104193     14.70217127    -17.85757646
  O     11.68723874     10.73409498    -14.73975594
  H     12.78306815     12.52725301    -10.74567367
  H     13.56261248     13.49281913    -12.44060364
  O     14.02619242      9.58174867    -11.47718709
  H     11.38275726     11.55098797    -14.31719703
  H     13.28218714     14.66759170    -11.47680420
  O     18.41348346     14.20581862    -12.89392234
  H     11.80908831     10.94580134    -15.67425832
  H     12.21901174     13.38241271    -16.42674012
  O     10.26089019     10.55433453    -10.29468106
  H     14.94449558      9.46468779    -11.19653974
  H     11.62535207     13.92727481    -15.11817126
  O     11.35778413      9.19068756    -12.35053538
  H     13.67942452     10.34573815    -10.99511838
  H     14.89017889     13.39668176    -14.07526756
  O     14.31594638     10.12436910    -14.15764019
  H     17.66188408     14.82707174    -12.90743129
  H     14.61635281     11.87851370    -13.76380476
  O     14.59110743     15.69294714    -10.58677331
  H     19.19781013     14.72692593    -12.74632319
  H     18.14163998     13.25953898    -14.52918444
  O     14.76284190     14.85718569    -15.13525619
  H     10.58983512     10.02435935    -11.04449970
  H     17.59028619     12.01920217    -15.29674417
  O     15.05235770     11.76255014    -17.45188487
  H      9.95931887      9.93655146     -9.63363547
  H     13.32109194     11.66837973    -17.38224236
  O     10.84268299     13.13356838    -13.59962596
  H     11.36388159      9.60299681    -13.22356940
  H     12.00693502     11.51225668    -18.18131962
  O     16.49838051     14.19864750    -17.24877237
  H     12.28227324      9.12374139    -12.07543964
  H     17.28961258      9.45469242    -10.12429546
  O     12.86606820     13.91596698    -11.91317567
  H     13.40320079     10.27208174    -14.44064791
  H     16.86174412     10.56325744    -11.10058553
  O     12.21211960     14.15589227    -15.85105057
  H     14.28325643      9.86158973    -13.22636006
  H     17.10887707      9.51300202    -15.59545268
  O     14.84266616     12.73122101    -13.37511602
  H     14.85448846     14.88110498    -10.11725292
  H     15.84466631     10.18623334    -15.02097432
  O     17.96940792     12.89994352    -15.40704526
  H     14.48102386     16.37092867     -9.92549589
  H     17.55742152     12.89430949    -11.87620013
  O     12.35034192     11.66379055    -17.30480192
  H     15.31642491     14.73888174    -15.91637950
  H     16.12714803     12.43113280    -12.18477977
  O     16.70652279      9.63605212    -10.85726437
  H     13.84173282     14.71716924    -15.40372867
  H      9.26261783     11.79103813    -11.25329920
  O     16.65510459     10.34996146    -15.53232170
  H     15.62290108     11.21261406    -16.90269045
  H      7.89776030     12.16724056    -11.85045288
  O     16.86065951     12.30647499    -11.56228182
  H     15.49158804     12.62018340    -17.50835969
  H     15.67641408     15.63380805    -13.69717852
  O      8.82118290     12.40799428    -11.85567990
  H     10.05071292     12.95007846    -13.07750724
  H     15.67535203     15.84664813    -12.15975465
  O     16.24469398     15.82262158    -12.93778385
  H     11.49868005     13.49091279    -12.98355805
  H     14.45361280     12.68859629     -9.50589908
  O     15.21627869     13.27944514     -9.47742903
  H     17.10943936     13.77385929    -16.61792656
  H     15.86444654     12.91212651    -10.09373006
          69
 Energy    -248.52988863948423     
  O     15.00513200     10.00492864    -10.61913494
  H     14.56327486     10.41238793    -11.37709030
  H     12.66432750      8.71461738     -8.29070962
  O     12.27610636      9.87541344    -16.09183542
  H     14.32717010      9.64906675    -10.02933045
  H     18.25938003      6.35238662    -14.76155531
  O     16.43189592     10.39389390    -14.26086348
  H     12.97852560      9.71999361    -16.73461065
  H     19.50422397      6.89156158    -15.51399647
  O     13.46852972      4.92073227    -12.16192405
  H     12.37905675     10.79230105    -15.80876991
  H     13.87912311     12.39521548    -15.59332440
  O     18.06885850      8.03640573     -8.49241192
  H     17.09380607     10.01801752    -13.67154248
  H     12.72972398     13.35914129    -15.20809963
  O     15.36599191     11.91883428    -16.41199011
  H     15.61672059     10.52053475    -13.75374903
  H     12.38218841      8.86150745    -14.61303283
  O     15.80674988      7.63029081    -11.88002354
  H     12.88500653      5.61287404    -11.81015150
  H     13.25935405      7.73876890    -13.99208175
  O     13.95211270     10.76893720    -13.02931934
  H     13.74927460      5.23858653    -13.02504859
  H     15.18172194      8.95211132    -17.23267024
  O     18.18363941      8.66892806    -12.73790079
  H     17.97762049      8.83111994     -9.04783960
  H     14.64316422      9.17282224    -18.66457184
  O     17.27950098      5.08808701    -14.13167336
  H     18.57762315      8.29326988     -7.72743107
  H     12.11756139      7.71498379    -12.07960206
  O     17.97951573      4.26818861    -11.52159369
  H     15.14799306     11.19651309    -17.01454190
  H     12.42251112      7.66445590    -10.55965918
  O     13.23337242      8.57408485     -9.04267102
  H     15.91580240     11.52723229    -15.72036135
  H     15.39993199      6.30106086     -8.99207205
  O     18.69609277      7.16166486    -15.08672345
  H     15.75187252      6.85752190    -11.30219099
  H     16.27325865      7.39378494     -8.34218880
  O     13.05393332     12.47172116    -15.08200556
  H     15.47103471      8.39428705    -11.39474372
  H     16.33207441      4.75494614    -10.76533552
  O     12.65017893      8.45399776    -13.77512001
  H     13.58693257     11.45596404    -13.59937762
  H     14.79940310      4.98851805    -11.00085224
  O     14.59452771      9.50665408    -17.77209809
  H     13.47834234      9.94912115    -13.23773232
  H     18.74626298      7.03281908     -9.93779434
  O     12.07929439      7.14927594    -11.29795192
  H     18.47245546      8.22075702    -13.54302580
  H     18.95270568      7.35218610    -11.42887222
  O     15.37022690      7.06030575     -8.39182398
  H     17.36118720      8.23602610    -12.44907081
  H     15.09899326      6.96599373    -13.36755890
  O     15.55979599      5.23843378    -10.45219964
  H     16.35308208      5.35182839    -14.12875214
  H     15.18762970      7.07604851    -14.91430563
  O     19.03601041      6.64954784    -10.77627836
  H     17.47368497      4.71984389    -13.26014677
  H     16.79923241     10.19525545    -10.32239805
  O     14.77246312      6.57858822    -14.19772086
  H     18.42264877      5.08724328    -11.23453079
  H     18.07095293      9.79633636    -11.10425995
  O     17.75932866     10.09007055    -10.24122095
  H     18.52612707      3.54000375    -11.23865108
  H     16.23574998      9.00935084    -15.38426295
  O     16.22941431      8.22920509    -15.96094163
  H     13.96728990      8.00828600     -8.73928171
  H     17.10451548      7.83395768    -15.87034505
          69
 Energy    -248.52987660695129     
  O     12.49685030      9.69419189    -10.64340402
  H     12.81812086      8.98636083    -10.07457699
  H     15.62043167      4.05662716    -13.15629424
  O     13.18763735      4.35837861    -15.09931845
  H     13.24795926     10.28252547    -10.79475138
  H     14.39406719      7.97549576     -8.80836210
  O     14.89018658     11.90486693    -13.98166987
  H     12.73418166      3.61653811    -15.49019741
  H     13.08430732      7.45653726     -8.17357514
  O     15.92987416      8.73245743     -8.51150426
  H     13.71387815      4.01006668    -14.35691849
  H     20.06494568      6.69383595    -15.00406934
  O     18.73826973      9.88885596    -10.66557850
  H     14.00559461     11.62653479    -14.24723258
  H     18.66132420      7.17191482    -15.45295659
  O     11.14462993      9.06022797    -12.93013241
  H     14.91599664     11.77786222    -13.02384689
  H     11.89666916     10.09463548    -14.08484898
  O     14.88983708     11.05398526    -11.27896840
  H     16.14482711      9.65679897     -8.68442826
  H     11.86918854     10.84973038    -15.43538952
  O     16.48980356      6.16528808    -11.17922469
  H     16.73508352      8.23895017     -8.70725596
  H     12.50847942      5.77702855    -13.99939109
  O     17.49116301      7.72949825    -16.62087927
  H     18.68758132      9.00479792    -10.27986602
  H     13.01607549      7.20988562    -13.75433704
  O     17.00561185      5.34846986    -13.75936733
  H     18.70421962      9.77057755    -11.62305170
  H     14.72280441      8.54999869    -13.67815944
  O     15.23387657      6.20747770    -15.77705764
  H     11.29749914      8.11489238    -13.02588878
  H     13.63282251      9.17886896    -14.63436645
  O     14.74149370      3.70609925    -12.96759902
  H     11.53948202      9.31069987    -12.07866722
  H     13.26164427      5.99885873    -11.81314591
  O     13.53923240      7.55384091     -9.00693562
  H     15.50734125     11.31270582    -10.58466350
  H     13.61353301      6.25633110    -10.32292171
  O     19.19059129      6.89624644    -14.68180589
  H     15.18828298     10.18374831    -11.58445264
  H     18.78897854      6.70087233     -9.02444967
  O     12.45377820     10.54343506    -14.74739188
  H     15.56319549      5.92084814    -11.04609979
  H     17.65660531      6.84465171    -10.06892935
  O     12.44699578      6.52023628    -13.38712856
  H     16.73918405      5.86966633    -12.06655392
  H     17.58578555     10.88360254     -9.80912655
  O     14.23503924      8.43245598    -14.50945905
  H     16.70739188      7.16940310    -16.53995718
  H     17.26745692     12.03264073     -8.82181134
  O     13.79147590      5.67211688    -11.07226771
  H     17.21108828      8.63152095    -16.42232458
  H     15.93345457      7.82622673    -11.79655894
  O     18.23756503      7.34112238     -9.46676844
  H     16.38621110      5.62844330    -14.44812483
  H     16.67707517      8.88464565    -12.63835945
  O     16.87001686     11.31654852     -9.30933121
  H     17.85562045      5.73413317    -14.00389739
  H     17.78716585      9.67997400    -14.11634268
  O     15.80617066      8.64123051    -12.29363535
  H     14.54439664      5.53337877    -15.75099858
  H     18.68870816      8.46921388    -13.75423470
  O     18.27997857      9.26578721    -13.39367654
  H     14.84202060      7.00505450    -15.39032789
  H     16.06745889     10.90088273    -14.96310758
  O     16.44744220     10.09551690    -15.34716291
  H     14.41023910      4.20106192    -12.20725690
  H     15.74790292      9.44319824    -15.22153132
          69
 Energy    -248.52981720580061     
  O     -2.02823448      4.70733142      2.95858044
  H     -2.07348608      5.57098119      3.35958644
  H     -1.72488465     -2.19097629      1.97361660
  O     -3.22947128      2.23111957      3.34719325
  H     -1.12881364      4.36862700      3.12186632
  H      1.06445631      2.01681251      0.62440976
  O     -0.72119219     -0.61578855      4.71532764
  H     -2.94726938      3.15283172      3.28911156
  H      1.17267267      1.07275885      1.86660098
  O     -0.82444570     -2.97452783      0.63898863
  H     -2.64484226      1.74038088      2.74914265
  H     -3.80649521     -1.97707714      0.06663434
  O     -0.20523225     -0.40618273     -2.91161767
  H     -1.26283966     -1.03489213      4.03075412
  H     -2.41506909     -2.54609661     -0.30179237
  O     -2.98590600     -0.17258088     -2.50961247
  H     -1.32115441     -0.06327475      5.23448372
  H      0.53378888     -1.98306586      4.73132348
  O     -5.09380257      1.17102456      1.48826557
  H     -0.21764851     -2.36246513      0.19583002
  H      2.01037633     -2.08044149      4.31126663
  O     -3.22061504      1.86754160     -0.52495557
  H     -0.27750239     -3.55567819      1.18269005
  H      1.08138393     -5.18400352      2.66528383
  O      0.96414117     -1.21581244     -0.54027373
  H      0.03192017      0.01245622     -3.73564122
  H      0.98584110     -3.73298459      3.19168423
  O     -1.70688765      0.82225444      1.50816485
  H     -1.16100921     -0.28498781     -2.81507438
  H      2.25953303     -3.13169206      1.56657386
  O     -4.81045393     -1.52769048      1.62245650
  H     -3.64816953     -0.32400596     -3.17914500
  H      2.28174206     -1.99852720      0.52613808
  O     -2.19985649     -1.66702001      2.63492307
  H     -3.07408471     -0.89825117     -1.86392329
  H     -2.89339166      1.51260243      4.98145652
  O      0.98846754      1.09947673      0.91642459
  H     -4.64092455      1.48972801      0.69606428
  H     -3.28851302      1.23733985      6.44220065
  O     -3.20483565     -2.13127453     -0.67164726
  H     -4.64302480      1.59787267      2.22869186
  H      3.18500064     -1.39444670      2.64733007
  O      1.23229892     -2.61441669      4.51169787
  H     -3.16556931      1.28147552     -1.28764407
  H      4.25831998     -0.93725238      3.66249827
  O      0.93788263     -4.28300128      2.38888059
  H     -2.67659729      1.45608491      0.16709022
  H      0.56544110      0.50489925      4.04156218
  O      2.78303262     -2.38223051      1.25800579
  H      1.00820324     -0.38150415     -0.04929958
  H      2.07233996      0.44489088      3.68263072
  O     -2.60429364      1.07547166      5.79818856
  H      0.63551141     -0.99739457     -1.42228941
  H      0.78784773      2.85311707      3.47558180
  O      3.32125452     -0.92091998      3.48775260
  H     -0.77372271      0.92770756      1.28880547
  H      0.79597749      3.81031197      2.26321712
  O      1.29249888      1.01466487      3.65597244
  H     -1.83676678     -0.07266677      1.84557119
  H     -1.98615601      4.39942997      1.03610265
  O      0.49160737      3.72133160      3.17508398
  H     -4.96482005     -0.56757150      1.57617282
  H     -2.31102942      3.47990834     -0.17226611
  O     -1.72204727      4.18176061      0.13389296
  H     -5.63944587     -1.92799903      1.87021386
  H     -0.00121347      3.96517302      0.18269705
  O      0.94967755      3.81519500      0.33550584
  H     -3.13929591     -1.69734728      2.41438072
  H      1.42021567      4.43246998     -0.21714096
          69
 Energy    -248.52980379459484     
  O     13.19680701      4.58487252    -16.25422477
  H     12.38237196      4.09256259    -16.31819853
  H     19.89662131      5.37386042    -16.37260982
  O     17.24584580      5.97361551    -11.67686394
  H     13.40780904      4.65608925    -15.30749240
  H     18.77995348      8.94280147    -16.07011429
  O     19.40945274      6.09978681    -17.85327679
  H     18.00878499      6.25137760    -12.20612649
  H     17.91399650      9.11142505    -17.35739774
  O     17.12963200      5.25810528    -19.36096043
  H     16.48934040      6.51263099    -11.93945778
  H     17.31981541      7.32608408    -16.27245194
  O     13.75200565      6.59590120     -9.84956057
  H     18.67733937      5.80214391    -18.40602603
  H     16.44183034      7.52206272    -15.02669908
  O     13.91161507      4.81646089    -13.62486791
  H     19.24007338      7.03203283    -17.65232906
  H     14.09541704      8.83274872    -16.39627964
  O     16.02798534      9.05312034    -13.99529890
  H     17.21589817      4.74525569    -20.16116272
  H     13.46010614     10.22878010    -16.19953099
  O     17.38571268      4.25487822    -15.35705615
  H     16.58806489      4.72861873    -18.75019557
  H     15.26419357      1.69685624    -10.53244303
  O     12.77751038      4.24485782    -11.20600071
  H     14.53088024      6.07599655     -9.57944100
  H     15.56751294      2.85958325    -11.50399986
  O     18.74418022      9.42154840    -14.23175539
  H     13.44549685      7.05874625     -9.07475940
  H     13.66785092      6.30815797    -16.77504131
  O     15.69211279      3.82985002    -17.53641749
  H     14.76089637      4.38294908    -13.46491792
  H     15.04789181      6.97321022    -16.58390483
  O     20.07497285      4.98449662    -15.49655364
  H     13.35519285      4.60809495    -12.85879085
  H     19.58456061      6.19089572    -14.06727634
  O     18.58143418      8.55263628    -16.92876992
  H     15.52670543      8.52759489    -13.35535196
  H     19.21857411      7.64245455    -13.66672909
  O     16.64054018      6.89718950    -15.73426487
  H     15.40334858      9.40224122    -14.64538090
  H     16.73490277      4.42204608    -12.42316932
  O     14.26435214      9.73285004    -16.06849537
  H     18.34889781      4.30369751    -15.39263631
  H     16.75322223      3.68332365    -13.77861957
  O     15.09637932      2.62300065    -10.68694191
  H     17.07981556      5.17141294    -15.44645038
  H     15.70036713      4.15356960     -9.66358939
  O     14.15252645      7.12721456    -16.92497702
  H     13.44848016      3.60389118    -10.93601198
  H     16.55950838      5.37652483    -10.04512323
  O     19.27146398      6.73790693    -13.33744137
  H     12.94366336      5.03650209    -10.67928319
  H     16.12190240      6.87727289    -19.44451327
  O     16.35979738      3.66306336    -12.89571196
  H     17.78391071      9.38653433    -14.08327679
  H     14.91623336      7.41534129    -18.66001619
  O     15.92983402      5.04904916     -9.38668240
  H     19.05816143     10.22193023    -13.81835940
  H     14.43238787      6.47933373    -12.91802244
  O     15.54346861      7.64458589    -19.35731493
  H     14.82058151      4.01746870    -17.17216014
  H     14.37074548      7.14400781    -11.51985503
  O     14.77671005      7.21463253    -12.39356818
  H     16.29929409      3.81066740    -16.78319948
  H     16.17143506      9.18387786    -18.61673352
  O     16.46978373      9.88439472    -18.01489853
  H     20.93659779      4.58005880    -15.54566823
  H     15.74981448     10.01556507    -17.39062164
          69
 Energy    -248.52963755857598     
  O     17.67782250      8.55718822    -12.46630585
  H     16.93631877      9.14754152    -12.67283635
  H     13.44715219      9.86043577    -15.46706771
  O     12.04456272     12.00884547    -11.68383537
  H     17.94814058      8.78107793    -11.56443986
  H     15.36030351     10.31666291     -5.83701761
  O     11.38690553      9.70517900    -13.21322104
  H     12.56903205     12.36635902    -12.42422952
  H     15.42950077      9.35309692     -7.03448274
  O     15.97296809      6.59715116    -11.44631218
  H     11.52569215     12.72979060    -11.33842276
  H     13.32008163     10.97817165    -10.84610521
  O     18.35037517      9.32965279     -9.84702339
  H     11.48431220     10.47023147    -12.63334002
  H     13.83073941      9.54667937    -10.42409365
  O     20.14866354     11.11960460    -11.07276596
  H     11.76810754      9.97158168    -14.05822771
  H     16.95219708     12.47883775    -14.26279462
  O     16.37616473     11.15548662     -9.20615740
  H     16.43396416      6.44244816    -10.61297180
  H     16.81902423     12.80488089    -12.73851203
  O     11.72064005      7.20105571    -12.24126247
  H     16.55444478      7.19188637    -11.94118621
  H     17.84694548      7.70729561     -9.25114706
  O     17.08869748      9.22269748    -16.23809299
  H     19.08711645      9.88210263    -10.13663893
  H     18.15095202      6.34237290     -8.59520771
  O     14.09322562      6.37209270    -13.62499253
  H     17.63959235      9.93804684     -9.59222167
  H     14.98743151     10.23429975    -12.11201931
  O     14.67012459      8.66640090    -15.01154795
  H     21.03804582     11.44538178    -10.96574954
  H     15.79640884     11.05037229    -13.15769126
  O     12.79254406     10.57417843    -15.55117486
  H     20.06197922     10.83350135    -11.99970886
  H     19.00755054      9.54623808    -13.33323945
  O     15.71932101     10.22463299     -6.71493311
  H     15.55096077     10.96252740     -9.67378491
  H     19.19924673     10.78048632    -14.24052493
  O     14.09269585     10.46483954    -10.58069940
  H     16.20626828     10.97096893     -8.27140120
  H     18.43383605     12.10010241    -16.29806235
  O     16.32306732     12.70787424    -13.56783129
  H     11.57239800      8.09220302    -12.60534474
  H     17.70304035     10.82143060    -15.82928927
  O     17.46196566      6.84406776     -9.02397760
  H     10.87256553      6.76585779    -12.22429795
  H     14.45534073      7.36927059    -10.72424663
  O     15.51509311     10.15800997    -12.91682838
  H     17.62019464      8.43086886    -16.18170465
  H     12.92021124      7.51442569    -10.86525938
  O     19.64313829     10.23130142    -13.58458652
  H     16.21688496      8.97814646    -15.89141254
  H     18.56598593     12.26932822    -11.15957749
  O     18.08242120     11.66443506    -15.52538433
  H     13.25051103      6.55345849    -13.18958464
  H     17.20740107     12.28778945    -10.44716354
  O     13.67084154      7.75459904    -10.30814258
  H     14.73923501      6.25692011    -12.91737424
  H     13.33157594     12.10983312    -14.49243402
  O     17.69060197     12.67002690    -11.19230935
  H     14.93953582      9.20662973    -14.25029419
  H     14.46418840     12.89146049    -13.77442895
  O     13.50511088     12.78297185    -13.82298330
  H     14.45071963      7.79288794    -14.65883877
  H     15.85915279      7.39512727     -8.12556169
  O     15.03938750      7.79344782     -7.80837689
  H     12.51726594     10.58849263    -16.46438284
  H     14.42689148      7.75582376     -8.55335440
          69
 Energy    -248.52954799469074     
  O     17.49938527      9.05491008    -14.01709691
  H     17.85805622      9.91152841    -14.28157025
  H     12.64797314     12.02493211    -12.78693375
  O     12.34390911      8.97691362     -9.51531231
  H     18.12719764      8.60063245    -13.44184065
  H     16.89786987      5.43794435    -11.19072013
  O     17.90530902     11.70166859    -14.72175555
  H     11.77734975      9.22692404    -10.26762051
  H     17.62215028      4.75832566    -12.37124329
  O     10.96502032      9.81597410    -11.69035138
  H     11.76548715      8.65476920     -8.82915922
  H     13.71085900      8.18457592    -10.46459374
  O     15.53245422      7.98567936    -15.54693593
  H     18.55928814     12.21976666    -15.18327689
  H     14.72977402      8.68824481    -11.52941498
  O     19.01796231      7.55889834    -12.28262948
  H     17.98754130     11.92955712    -13.77726452
  H     19.55183273      4.59646003    -14.13637756
  O     19.70631331      9.98090264    -10.99171702
  H     11.23011173     10.74035829    -11.78489145
  H     18.19359847      5.28501934    -14.40957157
  O     16.98117272      7.16573622    -10.39154243
  H     11.13356822      9.39998834    -12.54403827
  H     15.29621510     11.57688842     -9.83900892
  O     11.78044729      8.74181392    -14.22476597
  H     16.28939304      8.29992249    -15.02432939
  H     15.96011418     10.89174021    -11.03892785
  O     15.36423314     10.85807847    -15.92103538
  H     14.87536514      7.68236234    -14.90808665
  H     16.39128248      6.27022319    -15.65506223
  O     13.37251423     11.07695869    -14.10193678
  H     19.12135415      6.74441766    -12.79019264
  H     16.05994890      4.96009582    -14.92152218
  O     12.17589843     12.37515396    -12.01246303
  H     18.32186525      7.39548089    -11.62887467
  H     16.12975841      9.69240858    -13.01044290
  O     16.84077054      4.69743767    -11.80715946
  H     19.17372692      9.82658195    -10.20195284
  H     14.73488419     10.40379059    -13.04737646
  O     14.39257241      7.89442456    -11.08244992
  H     19.68145264      9.14581618    -11.47583774
  H     17.53345371     12.10660163    -11.40247467
  O     18.89864853      5.17179966    -13.74749981
  H     17.26356562      7.86497137     -9.78826659
  H     18.85582387     11.41036514    -11.74855120
  O     16.16044294     11.34813443    -10.20735056
  H     16.05337337      7.35044082    -10.59708554
  H     13.97884110      5.99704314    -13.63928973
  O     16.75779828      5.41075567    -15.41313060
  H     12.41324342      8.03135101    -14.02553734
  H     13.92940902      7.20935262    -12.68035744
  O     15.38978626      9.99614352    -12.46873248
  H     11.24914812      8.44014679    -14.95762000
  H     17.82599545      9.69707080     -8.02332012
  O     18.22859526     12.07671247    -12.06828956
  H     15.43086464      9.89586249    -15.97996619
  H     17.15770177     10.17371391     -9.33323547
  O     13.70970276      6.92188389    -13.57887777
  H     16.21154921     11.17998499    -15.59037590
  H     13.14007993     10.75645495     -9.41719220
  O     17.72378652      9.48287939     -8.94716791
  H     14.01041335     11.11798436    -14.83116121
  H     13.06191510     11.97800213    -10.34679289
  O     13.50246350     11.63917767     -9.55747946
  H     12.81131166     10.30393456    -14.24420514
  H     14.46940228      3.47158661    -13.50878954
  O     14.81530868      4.35708380    -13.57986306
  H     11.86857189     13.24642690    -12.25029473
  H     15.49061491      4.45168054    -12.88347015
          69
 Energy    -248.52950011961883     
  O     -5.75037470      1.68563483      0.65376604
  H     -5.12840450      2.19849388      0.11767657
  H     -1.80633717      0.93173825      3.58630085
  O     -6.19203535      0.65708748     -3.52298835
  H     -6.49856434      1.46036013      0.08821448
  H     -0.24379135      2.86064764      3.12347559
  O     -4.66097053      2.26234416      3.19555175
  H     -6.77254054      0.76832436     -2.76044095
  H      0.91945823      3.11390074      4.09340537
  O     -0.29616514     -1.51748163      2.11444018
  H     -5.87559192     -0.25396574     -3.47786960
  H     -0.77683501      4.47397824     -0.76916645
  O     -2.33061508     -1.33340538      0.19262319
  H     -5.15735654      2.18666275      2.36950285
  H      0.36696939      5.07524221     -1.61206554
  O     -4.91210712     -1.90326117     -3.09180040
  H     -4.74390450      1.40181840      3.62257817
  H     -3.05957921      2.40285245     -0.39925839
  O     -4.78448661     -0.84684969      1.33318022
  H      0.23042710     -2.25412493      2.41300933
  H     -3.83548137      2.66045315     -1.70355847
  O     -2.45922650     -0.76922680     -2.50765208
  H      0.32447783     -0.79168546      1.91611019
  H      0.57705908      1.15403129     -1.73581886
  O     -3.68088474      1.71541522     -3.24803678
  H     -1.65355697     -1.53180660      0.85259426
  H      0.55353667      2.58459574     -1.12064653
  O      1.32453309      0.56374579      1.60250630
  H     -3.18955186     -1.26699291      0.63705956
  H     -5.94003525     -1.91390713     -1.48392850
  O     -0.00329224      0.37050282     -3.35226896
  H     -4.01648498     -1.55875903     -2.94468485
  H     -5.91212126     -1.61610137      0.03699220
  O     -1.90472103      0.02406426      3.89274259
  H     -4.82775319     -2.62658382     -3.70859707
  H     -2.94113351      2.68162198      2.92901147
  O      0.71134042      2.74174646      3.23964152
  H     -4.77574417     -0.85804147      2.29826092
  H     -1.91159517      2.23086261      1.84831059
  O     -0.13606019      4.27645999     -1.47330394
  H     -5.07822039      0.03983398      1.07574320
  H     -3.58055415     -0.36481072      4.09984841
  O     -3.76637572      2.94604590     -0.78353708
  H     -1.58345956     -0.50803171     -2.81670554
  H     -4.77691284     -0.87100695      4.94382652
  O      0.70366079      1.65082463     -0.91795936
  H     -2.37308383     -1.02589046     -1.57746831
  H     -2.01099726      0.43908931      0.29498458
  O     -6.50241470     -1.75252919     -0.71608312
  H     -4.59710493      1.48723849     -3.46127422
  H     -0.91084779      1.46765098     -0.08804362
  O     -2.00510849      2.72104208      2.68093924
  H     -3.26580269      0.89418134     -2.95259169
  H     -2.77614523      4.31151373      0.01492818
  O     -4.54694429     -0.49193230      4.10028981
  H      1.28338594      0.93007641      0.71024143
  H     -1.98317851      4.30352496      1.33076494
  O     -1.78820881      1.37722990      0.30441732
  H      1.21600053      1.31217429      2.20621901
  H     -7.38021460     -0.25414307     -0.94111837
  O     -2.01905535      4.71737475      0.46293582
  H     -0.37880538      1.23928914     -3.58956449
  H     -8.66916793      0.60126111     -1.01574774
  O     -7.71908344      0.64881508     -1.08164641
  H      0.57344733      0.11300127     -4.06662236
  H     -2.08735669      2.57961326     -3.66704080
  O     -1.14326120      2.77960834     -3.74036697
  H     -1.32654443     -0.51631884      3.34082662
  H     -0.92164079      3.38472482     -3.02304836
          69
 Energy    -248.52945163724877     
  O      1.39417438     -0.40395256      4.56081494
  H      0.67662725     -0.96101839      4.89578067
  H     -1.29816744      3.06557692      2.96859399
  O      1.01698432      0.50346035     -2.77938379
  H      1.00253285      0.45119900      4.35249524
  H     -2.60515409     -0.22127267      4.30630931
  O     -0.81700976     -1.99319742      5.33415458
  H      0.96861589     -0.45997107     -2.80292519
  H     -3.91005325     -0.71407337      4.97988640
  O     -0.74650725      0.97545152     -0.62100541
  H      0.32495188      0.77997412     -2.16290464
  H      0.68000124      1.81732114      2.48785318
  O      0.92287571     -2.34835520     -2.29635892
  H     -1.13477763     -2.68517995      4.74373535
  H     -0.60350248      1.20009830      3.08380636
  O      2.89884764     -1.69357179     -0.56386870
  H     -1.58495297     -1.43817429      5.51578071
  H     -2.91480981      3.68402947     -0.30257909
  O     -3.76486493      2.43541052      4.91437667
  H      0.00848737      1.05950789     -0.01991513
  H     -2.48278196      3.13442585      1.07942802
  O     -4.19242062     -2.95035195      2.36185943
  H     -1.36679705      1.68128268     -0.40713021
  H     -2.60103129      0.18049819      2.12110718
  O      3.24650766      1.07428339     -1.30506831
  H      1.63586927     -2.18119905     -1.65278895
  H     -1.40415153     -0.80776256      2.35523242
  O     -5.71961628      1.17359216      3.24699402
  H      1.22617064     -3.05310171     -2.86213093
  H     -0.69449251     -2.02032106     -1.48261827
  O     -5.56387151     -1.33741924      4.24089277
  H      3.19561797     -0.80517711     -0.79440222
  H     -1.24141507     -0.72828880     -0.82313836
  O     -2.16324566      3.43754285      2.74387254
  H      2.71996092     -1.67471981      0.38664173
  H      1.97439524     -1.04289290      2.98390111
  O     -3.08332511     -0.24746325      5.15234880
  H     -3.46806408      1.53024726      5.10492956
  H      1.13734656     -1.73178282      1.88972798
  O      0.08006784      1.87055354      3.24376902
  H     -3.78515343      2.89557669      5.75020154
  H      2.20397564      1.31503188      0.25778059
  O     -2.66321770      2.88585457      0.15357080
  H     -4.22618573     -2.55666835      1.48388002
  H      1.72133675      0.32633399      1.34636201
  O     -1.86584104     -0.03628729      2.70710378
  H     -4.71623271     -2.39105182      2.95014537
  H     -2.75403695     -3.61963032      3.05195256
  O     -1.42549835     -1.67204043     -0.95627570
  H      3.90613523      1.58582466     -1.76504507
  H     -1.96960472     -4.84892754      3.57511613
  O      1.99508975     -1.31242035      2.05360182
  H      2.50686042      0.94194080     -1.92416351
  H     -0.96705416     -2.95686250      2.14062704
  O      1.53858433      1.18939496      0.94415365
  H     -5.18024806      1.74482885      3.80741623
  H     -0.89331811     -2.24304300      0.73207973
  O     -1.88682704     -3.91967886      3.37903428
  H     -5.21426988      1.05086268      2.43004980
  H     -4.60846097     -2.13252203     -1.02302826
  O     -0.54212468     -2.25513734      1.63015264
  H     -6.34632206     -1.58326634      4.72719373
  H     -3.15098241     -1.81997628     -0.61118382
  O     -4.07528151     -1.78627505     -0.31152564
  H     -5.72116081     -0.44436451      3.88540533
  H     -4.13503832     -0.10106489      0.47438739
  O     -4.06007964      0.65072044      1.07437738
  H     -2.75104626      3.18007261      3.46319413
  H     -3.67425071      1.40026206      0.60255768
          69
 Ord_Energy   -248.529404    
 O   -3.17076492      0.348621845       2.34166622    
 H   -4.02292585       3.73088084E-02   2.00602770    
 H   -2.73644185     -0.412913948       2.74408555    
 O   -9.43859863     -0.184459463       3.23021197    
 H   -9.35539913      -1.14650178       3.25440502    
 H   -9.17581463       9.69864279E-02   4.11689568    
 O   -6.11834192       3.28229165       7.12167025    
 H   -6.44842386       3.18466973       6.22023487    
 H   -5.17972374       3.48778558       7.02209377    
 O   -5.88573170      -5.47136736       4.24713945    
 H   -6.56393099      -5.41928911       3.56333923    
 H   -5.15829897      -4.91408587       3.93893218    
 O   -5.43816853      -2.38571978       6.83412409    
 H   -6.11316299      -1.88323891       7.31479931    
 H   -5.65696812      -3.32165241       6.92118502    
 O   -8.73826408      -2.84751892       3.82525086    
 H   -8.55933666      -3.64412141       3.31182098    
 H   -8.85680103      -3.08216763       4.75888014    
 O   -3.37948632       1.08584404       8.27403069    
 H   -3.25183702       1.93791866       7.83853197    
 H   -4.27779913       1.10119796       8.62672424    
 O   -5.91687822      -3.21283650       1.09315336    
 H   -5.15619087      -3.41495895       1.65425479    
 H   -5.97402477      -2.24922204       1.09535658    
 O   -7.76595545      -4.89727116       2.16948366    
 H   -8.15642643      -5.46871614       1.51377237    
 H   -7.15560293      -4.30237675       1.69726491    
 O   -4.01531982       1.49458325       4.66530466    
 H   -3.89595962      0.722450256       5.23330355    
 H   -3.67938185       1.24228883       3.79300189    
 O   -5.82697296     -0.461164027       1.81216002    
 H   -6.45375013      0.267316580       1.72815812    
 H   -5.95723009     -0.823146224       2.70034337    
 O   -6.27522659      -1.71821117       4.28361797    
 H   -5.99206114      -1.97030020       5.17391920    
 H   -7.11097336      -2.17099977       4.08805323    
 O   -4.20093918      -3.43328929       3.31869435    
 H   -4.90642786      -2.84180307       3.61597180    
 H   -3.37467432      -2.97331643       3.50781465    
 O   -7.78295755       1.57179713       1.97900295    
 H   -8.22871590       2.06941485       1.29840910    
 H   -8.43680763      0.949292541       2.34565854    
 O   -3.31287742     -0.744416177       6.24843407    
 H   -3.99623251      -1.38502097       6.48921919    
 H   -3.20225334     -0.159570366       7.01262236    
 O   -7.49260855     -0.893632174       7.91031313    
 H   -7.75644493     -0.421250403       7.10465527    
 H   -7.07450485     -0.220082283       8.46096325    
 O   -3.32934237       3.37985325       6.55530882    
 H   -3.49819326       2.78245854       5.80654716    
 H   -2.69571280       4.02586222       6.25460768    
 O   -6.15744257       1.34076834       9.04973316    
 H   -6.23226023       2.02990890       8.36594677    
 H   -6.37463999       1.76038551       9.87915993    
 O   -6.59888077       2.52762794       4.41845036    
 H   -6.96208477       2.34795213       3.54310107    
 H   -5.69684124       2.17261124       4.43331385    
 O   -7.86811590      0.330422729       5.49680710    
 H   -7.49221230       1.18514979       5.24831867    
 H   -7.33184099     -0.327228636       5.03434038    
 O   -8.68266678      -3.27163363       6.55049324    
 H   -8.48404503      -2.53428817       7.13744259    
 H   -8.00322914      -3.93591595       6.72427368    
 O   -2.06432843      -1.75049102       4.01828480    
 H   -1.12929535      -1.87850666       4.15776396    
 H   -2.42348981      -1.38993084       4.84710455    
 O   -6.41835022      -4.99968910       6.84554672    
 H   -6.23572302      -5.23947763       5.91895819    
 H   -6.29001999      -5.78719139       7.36678076    
          69
 Ord_Energy   -248.529175    
 O  -0.608306468      -4.21663141       2.46513271    
 H  -0.516200900      -4.50037575       3.38251805    
 H   -1.48903596      -3.81710196       2.41608644    
 O   -6.06880808     -0.620494127       2.07368112    
 H   -6.70789289     -0.133930847       2.60950565    
 H   -5.20909405     -0.520146608       2.50773263    
 O   -3.74481654      -7.02307367       2.07941604    
 H   -3.82870340      -7.96045923       1.92901897    
 H   -3.02068639      -6.70688534       1.50750911    
 O   -3.66230416     -0.689019442       3.44566131    
 H   -2.75763512     -0.356890827       3.49507904    
 H   -3.92856121     -0.917920470       4.34881306    
 O   -5.17580128      -3.64195466      -1.38284564    
 H   -4.27752209      -3.90396476      -1.61393178    
 H   -5.37646914      -4.13621712     -0.577773154    
 O  -0.971774578      -4.79838276       5.21999264    
 H   -1.15542960      -3.86705828       5.44619799    
 H  -0.417848140      -5.14744329       5.91255665    
 O   -7.86636305      -2.85582662       6.68627405    
 H   -7.12937260      -3.31304502       6.24851894    
 H   -8.10538673      -3.38382292       7.44390917    
 O   -6.65996408     -0.241063446       6.38604879    
 H   -7.16654158      -1.03270292       6.60780764    
 H   -7.05605412      0.104845122       5.57714033    
 O   -1.77777696      -5.96709538      0.576575041    
 H   -1.19504428      -5.44876575       1.14636016    
 H   -1.94474053      -5.43175316     -0.209175587    
 O   -1.58483768      -2.22561955       5.71177769    
 H   -1.27326035      -1.52373993       5.12803078    
 H   -2.48968577      -1.99053013       5.95673037    
 O   -2.29343748      -4.15748072      -1.56154799    
 H   -2.24933171      -3.32395101      -1.06363797    
 H   -1.79711974      -4.02126074      -2.36537552    
 O   -4.84886122     -0.981495976     -0.516178310    
 H   -5.39626408     -0.806571424      0.257808983    
 H   -5.12547207      -1.83750129     -0.875743985    
 O   -3.27069545      -3.22824216       2.44279027    
 H   -3.42315626      -3.88373423       3.13779736    
 H   -3.42740107      -2.35048962       2.81891608    
 O   -4.32501936      -1.59704459       5.95481586    
 H   -4.76714468      -2.42584634       5.72634172    
 H   -5.03295994     -0.989771307       6.21625900    
 O   -3.57117534      -5.30200529       4.28953695    
 H   -2.68158650      -5.27640009       4.66605473    
 H   -3.60550737      -6.00198412       3.62328506    
 O   -2.38747239      -1.94198477       7.38397092E-02
 H   -3.17357063      -1.44984710     -0.212183639    
 H   -2.66866803      -2.42257333      0.862843394    
 O   -9.04737663      -2.06613731       4.20165205    
 H   -8.47249985      -2.57214189       3.61021781    
 H   -8.83381557      -2.36952901       5.09259510    
 O   -8.76094773E-02  -1.55905688       1.63332820    
 H    2.59080995E-03  -2.48838401       1.88009727    
 H  -0.768237174      -1.53662705      0.946624517    
 O   -5.77770042      -3.86382794       5.17048597    
 H   -6.18410110      -3.62709999       4.32258224    
 H   -5.07212973      -4.49448490       4.97958946    
 O   -7.97579575      0.419563860       3.89116621    
 H   -8.63279819       1.10091901       3.77307582    
 H   -8.45739746     -0.422094434       3.98299956    
 O   -6.92332458      -3.18326879       2.73955274    
 H   -6.54728842      -3.83447051       2.13476515    
 H   -6.62509012      -2.31142545       2.44090533    
 O  -0.932166278     -0.177392304       3.80201721    
 H  -0.563352287     -0.627016425       3.02133489    
 H  -0.424435019      0.619698286       3.92790580    
 O   -5.28689814      -4.79956722       1.19616258    
 H   -4.60230255      -4.17333508       1.47148967    
 H   -4.94001150      -5.67084265       1.41854858    
          69
 Energy    -248.52899865503446     
  O     12.66023905      9.63617999    -11.58923593
  H     12.32680424     10.51628602    -11.82171787
  H     14.14884445      8.68982795    -12.09572813
  O     13.06525497      6.66643046    -14.02131044
  H     11.95003180      9.13896610    -11.15685128
  H     13.81013995     14.38313615     -8.30431890
  O     11.61556963     12.06213964    -12.26502109
  H     13.00606132      6.06843085    -14.76196454
  H     13.35129029     14.82205745     -6.89268809
  O     14.22074394     10.49092730     -9.45016641
  H     12.72251185      7.52409212    -14.32468211
  H      9.54256865     11.74788080    -10.23880545
  O     14.39388355      6.69561219    -10.02022353
  H     11.16537442     12.38006933    -11.47185813
  H     10.72654316     12.14304378     -9.29816574
  O     13.24115636     15.84070327    -11.54264994
  H     12.33997313     12.65744067    -12.49256555
  H     11.57151684      9.93829520     -7.77757522
  O      8.66165857     10.25053094    -11.11310508
  H     13.67366847     10.14496858    -10.16984508
  H     12.39460923      8.63878092     -7.73149220
  O     13.86202092     13.48856278    -12.92627447
  H     14.37145068      9.75734382     -8.83948894
  H     14.32848982      7.60321957     -8.57311901
  O     14.94532545     14.54236653     -9.62823920
  H     13.55762169      6.35077701    -10.36761181
  H     14.78064776      7.84763758     -7.11191021
  O     10.60083452      8.33009775    -10.36023081
  H     14.81831305      7.11855120    -10.77398776
  H     16.02212811     11.62243385    -11.76982984
  O     11.30971435     15.03877595     -9.80572440
  H     12.48628274     15.59110258    -10.97991399
  H     15.18402948     11.63074506    -10.47060246
  O     14.88462834      8.16090973    -12.44035617
  H     13.12061070     16.75744392    -11.77478919
  H     12.24082896      9.31085490    -13.44564783
  O     13.07826660     14.33169866     -7.66332988
  H      7.71219807     10.16113780    -11.13974540
  H     12.86955043      9.92476635    -14.69359789
  O     10.12256156     12.47350133     -9.98041837
  H      8.96444445     10.29977839    -12.03748611
  H     10.35508902     11.20174250    -13.26114391
  O     11.50039199      8.97902804     -7.86070503
  H     14.48279173     13.07880247    -12.30594036
  H     10.33904318      9.95416089    -14.13359341
  O     14.26945182      8.22353765     -7.82274686
  H     13.67970388     14.37586552    -12.59194502
  H     14.00507505     12.08271390    -14.28549126
  O     15.59759422     12.20712930    -11.13006895
  H     14.49898547     15.07585291    -10.29793692
  H     14.99305640     10.91550600    -14.27460168
  O     12.23728848      9.24706540    -14.40975875
  H     15.32702506     13.78985246    -10.09663579
  H     15.98618729      9.49626384    -12.85970977
  O      9.76589501     10.50639989    -13.59299622
  H     10.83656121      8.48298756     -9.43104865
  H     17.30539933     10.08144253    -13.41404313
  O     14.17286111     11.21865914    -14.68092446
  H      9.84511419      8.89240486    -10.56565237
  H     11.40262836      6.74575061    -11.04895988
  O     16.44225140     10.32391548    -13.08750596
  H     11.81234811     14.88934563     -8.99465365
  H     12.23827836      6.22797973    -12.25173297
  O     12.03369788      6.06746126    -11.32392012
  H     10.72635015     14.27491610     -9.89382457
  H     12.37771568     12.61715891     -7.83485502
  O     12.08863890     11.75237147     -8.15184274
  H     14.47385596      7.52781106    -13.04250400
  H     12.85668185     11.36545777     -8.59562860
          69
 Energy    -248.52898508496676     
  O     -5.50808490      3.90429684     -1.36180023
  H     -5.77855496      3.31519154     -0.64451101
  H     -4.37615358     -0.29679028      2.13714437
  O     -0.86110883      2.96994671     -3.99853082
  H     -4.70870237      4.34489968     -1.05211110
  H     -0.71075778      2.29435881      1.77462511
  O     -5.64753171      1.86218202      0.57427839
  H     -1.68308027      2.49656842     -3.79006330
  H      0.43491381      1.65523252      2.61507054
  O     -3.28737544     -1.07278263      0.86147951
  H     -0.77610280      2.94753384     -4.94820256
  H     -1.72717693      3.94344620      0.12133183
  O      0.06570216     -0.42027927     -1.40867157
  H     -4.77782688      1.78298952      0.14639240
  H     -0.55872691      3.02716694     -0.41455880
  O     -3.10232489      1.54959531     -3.22005194
  H     -5.59832606      1.29888905      1.36205472
  H      2.44059990     -1.29621838      0.82125425
  O     -4.38720424     -2.06575084     -1.52714659
  H     -3.57680247     -1.57552753      0.09012773
  H      2.24232183     -0.44627300      2.08919043
  O     -2.10414322     -1.06907020     -2.93711663
  H     -2.34285918     -1.22170591      1.00932444
  H      2.46844573      1.66503164      1.54524785
  O      0.47183751      2.33094996     -1.69039661
  H     -0.65253220     -0.71228485     -1.98843779
  H      2.97023274      1.86624317      2.99461817
  O     -0.59020470     -0.84733673      1.27759690
  H     -0.21455232     -0.56481389     -0.49494509
  H     -5.71557602      2.91498776     -2.78893616
  O      2.74251566     -0.90805886     -1.05124315
  H     -3.10616074      1.49926338     -2.25143476
  H     -6.41909967      2.59144209     -4.12898316
  O     -4.90038580      0.30814465      2.68241618
  H     -4.00349439      1.77193255     -3.48050314
  H     -2.02409389      1.86738555      3.46224533
  O     -0.52435308      1.68560558      2.50699548
  H     -5.02292282     -1.33183168     -1.59981020
  H     -2.73254981      2.08147878      4.81683699
  O     -1.15197840      3.19814549      0.33211783
  H     -4.87636512     -2.86773702     -1.69215357
  H     -6.07664376      0.70458081     -2.36099513
  O      2.07943234     -1.32188879      1.71655996
  H     -2.84965290     -1.51230500     -2.51501787
  H     -6.15565897      0.57443280     -0.83412549
  O      2.26974106      1.47404560      2.48015806
  H     -2.44209308     -0.20607884     -3.21178519
  H     -3.09220844      0.54492615      0.00283884
  O     -5.80164515      2.24469807     -3.49102782
  H      0.31101605      1.37731823     -1.63613483
  H     -2.42875499      1.96455524     -0.11063849
  O     -2.88862874      2.01958805      3.87731626
  H      0.11954362      2.62916677     -2.54032226
  H     -3.19161078      6.03957561      0.08669262
  O     -6.10822989      0.05710235     -1.64646496
  H     -0.65036678      0.00595875      1.72789190
  H     -3.57407992      4.73612150      0.83043988
  O     -3.12668087      1.39472462     -0.45590750
  H      0.28630750     -1.19999790      1.48713648
  H     -3.77015471      3.32276402      2.80717470
  O     -3.20787666      5.08971388     -0.00151186
  H      1.80401473     -0.80227581     -1.28509276
  H     -4.88387526      3.24053913      1.75403576
  O     -4.25951274      3.85033978      2.16426531
  H      3.13898916     -1.43523366     -1.73974397
  H      2.06109900      2.16193322     -0.71737497
  O      2.76513279      1.80413484     -0.16006758
  H     -4.25938835      0.82078414      3.18861938
  H      2.94116256      0.91970576     -0.50542978
          69
 Energy    -248.52892179917978     
  O     13.58352078     12.17311924     -8.35465893
  H     13.34532695     12.23185003     -7.43249230
  H     11.40233754     13.50764729    -13.08864583
  O     11.20540596     10.65282383    -14.58930232
  H     12.75240251     12.16874417     -8.85762967
  H     13.19154715     14.46748732    -11.66972091
  O     14.35354528      9.74958236     -9.70388495
  H     11.04290919     11.57088660    -14.33410389
  H     13.34858074     13.02117281    -12.19837417
  O     18.27309783     13.72917497    -13.32259127
  H     11.80020797     10.66197369    -15.35469619
  H     11.52908625     13.95110553    -15.14876482
  O     11.42437438     12.02376740    -10.05271330
  H     13.48039004      9.47989395    -10.01277440
  H     11.63419358     14.41951050    -16.60918292
  O     11.83399045      9.40479840    -11.00334127
  H     14.20903286     10.54583166     -9.17924381
  H     15.38596413     11.97238501    -12.46641160
  O     13.33642952      9.43748531    -13.27189259
  H     17.88564196     13.16316379    -12.63051782
  H     14.25323000     10.99583599    -12.95240019
  O     14.54031776     15.69916359    -11.40625415
  H     19.16158223     13.93671120    -13.04680664
  H     16.38760257     12.27865891    -15.44907154
  O      9.55938269      9.40999930    -12.73964841
  H     11.83558043     12.63591934    -10.68292177
  H     17.69175620     12.50513330    -14.66584299
  O     14.61768617     13.05390727    -15.40321902
  H     11.56958314     11.12553907    -10.38412956
  H     15.82240297      9.51710022    -10.63089549
  O     13.25451762     10.64876527    -16.40578950
  H     10.96704233      9.25382707    -11.39728219
  H     17.17808207      8.78103882    -10.68296254
  O     10.68570933     13.26141028    -13.69289819
  H     12.45473459      9.34063606    -11.74707022
  H     17.02186786     10.22955614    -14.39357330
  O     12.69973466     13.66314523    -11.86958068
  H     13.82244809      8.93842856    -13.93882895
  H     16.78716348      9.41433319    -13.07851624
  O     12.15872674     14.20070987    -15.84254469
  H     12.60044721      9.86753717    -13.73405795
  H     14.96822297      7.57435314    -15.87220994
  O     14.51891757     11.92168930    -12.88571263
  H     14.49998099     16.64535154    -11.29775847
  H     15.56831500      8.69866091    -14.99211489
  O     17.20656174     11.84687219    -15.17767258
  H     15.01430432     15.53263409    -12.24124874
  H     16.56588053     12.67971775    -10.78992372
  O     16.66229182      9.45500895    -11.11887739
  H     10.08421589      9.77225455    -13.47356170
  H     17.00853268     11.24696951    -11.27149775
  O     16.81311275      9.35182610    -14.03812181
  H      8.96159133      8.77196269    -13.12130517
  H      9.69696790     12.13377844    -11.03708420
  O     14.75751034      8.39921114    -15.44477009
  H     14.54040251     12.65133140    -14.52321500
  H      9.06647793     11.15236588    -12.03592648
  O     16.98755187     12.18168726    -11.50890015
  H     13.78280277     13.50567220    -15.59899409
  H     15.42085089     14.57238876    -14.39659058
  O      9.07572699     12.08115272    -11.77378883
  H     13.78935262     11.43195803    -16.23607742
  H     16.73342567     14.75567258    -13.61439714
  O     15.83981395     15.10887853    -13.71526308
  H     13.81749659      9.88840586    -16.21106205
  H     15.23877519     14.40432155    -10.17142403
  O     15.62434836     13.65746168     -9.69719891
  H      9.96201068     12.96374651    -13.12442931
  H     14.90918011     13.22748951     -9.21287633
          69
 Energy    -248.52870591005234     
  O     10.03825324     10.52126254    -10.77420369
  H     10.89924607     10.69946556    -10.36001606
  H     11.34181177     11.43249326    -17.55831011
  O     14.71312587     10.43461698    -12.84903500
  H      9.38962360     10.52715498    -10.07514487
  H     14.02451349     13.38145706    -13.95617062
  O     17.17245765     13.00833440    -14.00956501
  H     15.56456401     10.75159413    -12.52420753
  H     13.85430426     14.06610950    -15.33445256
  O     15.77756007      7.27167693    -12.00562838
  H     14.37400278      9.78449914    -12.21592130
  H     18.20493761     11.39312428    -16.95165429
  O     10.72226138     11.84256657    -13.17107106
  H     17.48112068     12.44988538    -14.73357296
  H     16.76939240     11.25155224    -16.39489870
  O     12.47718651     14.70081920    -16.39567332
  H     16.31620960     13.35678631    -14.28796926
  H     18.03413150      8.85866776    -13.83535564
  O     15.00060103     11.41459403    -16.51752986
  H     16.57666311      7.80511071    -11.91585758
  H     17.86510267      9.55594569    -15.21373389
  O     13.23463316     12.67060005    -12.40815588
  H     15.70464474      7.06603019    -12.94515617
  H     14.51851364     13.07330346    -10.92808084
  O     14.07296596      9.19693132    -15.17295547
  H     10.96671625     11.09430300    -13.73791869
  H     14.49519239     12.21248521     -9.66912294
  O     18.08949172      9.02335892    -11.95120123
  H     10.32261679     11.47144491    -12.37574845
  H     11.02182429     10.05903335    -15.68136869
  O     12.64561297     11.02951727    -10.00094947
  H     11.67096282     14.28125850    -16.04407273
  H     12.30053718      9.48950509    -15.01339023
  O     10.53282352     11.01919233    -17.20712011
  H     12.24174984     15.59220104    -16.63837256
  H     15.98854937      6.19051540    -15.35031278
  O     14.47598621     13.56635866    -14.78921940
  H     14.65625928     10.59185447    -16.14015094
  H     16.54605729      7.56877896    -14.91223092
  O     17.71105925     11.19285203    -16.16002702
  H     14.80902721     12.12588370    -15.88836295
  H     12.71458299     13.21198026    -17.61006768
  O     17.84392987      8.70069449    -14.76874901
  H     12.32160037     12.50939763    -12.68551845
  H     13.60163320     11.95660318    -17.65492712
  O     15.07334096     12.77116477    -10.19721804
  H     13.74133656     11.86778830    -12.61955380
  H     11.17053283      8.68947219    -13.24794671
  O     11.37648749      9.72546953    -14.84787428
  H     14.33913115      9.64797377    -14.35471708
  H     10.65916486      8.97086642    -11.82247479
  O     15.75897519      6.99304970    -14.89005967
  H     14.54319943      8.35478996    -15.18115870
  H     17.17930139     12.11895771    -12.48412659
  O     12.77976178     12.33068996    -17.99819890
  H     17.77756982      9.93104746    -11.79581778
  H     16.48587263     11.98342997    -11.08402347
  O     11.20163230      8.36367625    -12.33962856
  H     18.85391477      8.89793553    -11.39427583
  H     10.22235666     12.57860377    -16.11455122
  O     17.03111157     11.52080091    -11.73444694
  H     13.04064753     10.17255106    -10.22865763
  H     10.33972799     12.94562499    -14.62624935
  O     10.31375638     13.32820050    -15.51314815
  H     12.83059010     11.61881471    -10.74215151
  H     12.80745448      8.39704075    -11.51399760
  O     13.62087689      8.66052548    -11.05643213
  H     10.01292747     10.74801438    -17.95895702
  H     14.32312872      8.03094130    -11.27567443
          69
 Energy    -248.52869643281826     
  O     13.17238249     14.80879994    -12.66395501
  H     12.59757588     15.56976786    -12.68593796
  H     13.43163528      9.52765804    -15.46818657
  O     16.47000105      9.25181087    -17.11313327
  H     13.45202381     14.64162857    -13.58017983
  H     15.89067665     10.80915729    -17.82395904
  O     14.82672078      9.13094520    -11.35752807
  H     16.98122543      9.57170714    -16.36190033
  H     16.48496419     12.21660621    -17.74607324
  O     18.02049740     14.85397556    -12.92823149
  H     15.75937235      8.71381267    -16.73941301
  H     14.11113583     12.16933348    -17.48749041
  O     14.44285776      8.02757978    -15.58554354
  H     13.97545203      9.35494840    -11.76305192
  H     12.66929131     12.57126019    -17.88449855
  O     14.32339741      6.50305333    -10.53957375
  H     14.70714890      8.28387894    -10.91126315
  H     17.63452385     11.87629096    -11.97223130
  O     15.51671707      5.73454284    -12.86414113
  H     17.21399823     14.83170133    -12.38188745
  H     18.40316043     12.99049584    -12.69644231
  O     15.09572057     11.77904329    -14.10410390
  H     18.57096984     15.54870223    -12.57601139
  H     12.78477259     13.14769764    -11.79880727
  O     12.38174008      9.82301501    -12.51715421
  H     13.95190646      7.22428027    -15.37412021
  H     13.72997145     12.14576726    -11.13384990
  O     16.33733482      8.37396517    -13.57703991
  H     15.09515741      8.13740858    -14.87710334
  H     12.70131235      6.22460660    -13.75490450
  O     17.54047572     10.72282707    -14.77124639
  H     14.79478984      6.13529598    -11.30878180
  H     12.58155486      5.09539191    -14.80772264
  O     12.98400700     10.33678222    -15.17913896
  H     14.47748310      5.91058014     -9.80920324
  H     17.23388523     14.83674341    -14.63208940
  O     15.68460317     11.74150764    -17.99021014
  H     14.79251724      5.61201477    -13.49113366
  H     17.29178618     14.10227803    -15.98532503
  O     13.23007739     12.39401589    -17.13398727
  H     15.99626284      6.51785366    -13.16325318
  H     15.52755281     10.81824534    -11.16746323
  O     18.39497019     12.03669201    -12.54338923
  H     14.88334767     12.66920306    -14.40905503
  H     15.49998447     11.80181639    -12.35616190
  O     12.80494365     12.28830443    -11.36001521
  H     14.36246022     11.21655763    -14.38496729
  H     13.78096654     13.70126886    -15.88293808
  O     13.15258531      5.79580283    -14.50468981
  H     12.44942189      9.99211258    -13.46673184
  H     15.04012711     14.49376982    -15.35855451
  O     16.77081835     14.73223706    -15.47314259
  H     12.35249696     10.68752367    -12.08183081
  H     12.04222080      7.99158674    -12.35536016
  O     15.71664012     11.73428583    -11.41088422
  H     15.87146491      8.69698379    -12.79166025
  H     12.71397424      6.82559691    -11.59667385
  O     14.13798104     14.20537076    -15.14200753
  H     16.91944742      9.07813057    -13.87843499
  H     15.76669881     13.61159447    -11.25161051
  O     12.11138067      7.02775252    -12.32240930
  H     16.64093557     11.07353045    -14.66525238
  H     14.87607621     14.74230851    -11.80823009
  O     15.76063623     14.55206303    -11.47335068
  H     18.04008102     11.09849046    -14.02949806
  H     18.03249439     11.93344044    -16.10146160
  O     18.14443378     12.62420970    -16.77221570
  H     12.95717541     10.95895155    -15.91585355
  H     18.99581198     12.47551739    -17.17751257
          69
 Energy    -248.52823940974997     
  O     -0.76582028      0.93483648     -2.79559930
  H     -0.26954584      1.75075111     -2.62736850
  H     -1.75477795      6.54539172      3.35938261
  O      0.59065526      3.23186159     -2.07372601
  H     -0.12093277      0.22159894     -2.82768772
  H     -2.63956269      0.41868500      3.43396875
  O      4.26380549      1.39750007      3.18005515
  H      1.52564170      3.27134541     -1.84500421
  H     -1.45471661     -0.26537056      2.73876756
  O      0.33357584      0.73044453      0.42169450
  H      0.11869750      3.43443656     -1.25316394
  H      0.47329318      0.06141303      2.04946809
  O     -3.17403411      0.83429402     -1.62337608
  H      4.01851571      0.63726010      2.62360070
  H      0.80595384     -1.27262894      2.74491467
  O     -3.09802564      2.12217228      0.90399082
  H      5.21749643      1.39900824      3.21767058
  H      3.08354942     -1.38586358      1.66500925
  O      1.32088102     -1.09267023     -2.66406797
  H      0.03093252      1.64684203      0.37160413
  H      3.45822533     -0.31039941      0.62244662
  O     -1.91301379     -1.04496143      0.03019689
  H     -0.38667108      0.16271329      0.12219439
  H      3.29995847      1.87370627      4.67405064
  O      3.30380861      3.18648520     -1.08692032
  H     -2.32499073      0.91348280     -2.09801859
  H      3.11063169      3.06319099      5.62646621
  O      2.99369032      3.42386051      1.58658045
  H     -3.85805358      0.80676312     -2.28642033
  H     -3.41650449      3.31234169      2.36537707
  O      0.34528504     -2.60909417     -0.44001269
  H     -2.85929780      1.37519484      1.47030479
  H     -3.15529588      3.06625515      3.86174582
  O     -1.41054972      5.67626142      3.54610171
  H     -3.24094948      1.76400997      0.01882573
  H     -0.04579095      4.61032132      3.15451503
  O     -2.38943659     -0.03910106      2.62229624
  H      1.91888296     -0.55281875     -2.11924804
  H      0.40389758      3.15664670      3.47916801
  O      0.36662645     -0.42639009      2.88199572
  H      1.81960589     -1.36641361     -3.42997145
  H      0.31130044      0.90087823      4.07775433
  O      3.66937910     -0.63673283      1.50719532
  H     -2.44713640     -0.52444132     -0.58361114
  H      1.05039416      1.85981516      5.04949490
  O      2.77350643      2.19287635      5.42284965
  H     -2.24269362     -0.86048063      0.91897199
  H     -1.56178329      1.69521831      4.90860011
  O     -3.34639911      3.75960078      3.21773369
  H      3.18717191      3.32584462     -0.12911854
  H     -2.78002131      1.47823463      5.83554335
  O      0.54991715      3.89756235      2.87848272
  H      3.97539160      3.79926717     -1.37286336
  H      1.87768071      0.56824344     -0.41736946
  O      0.19525732      1.68718457      4.63157379
  H      2.18161535      3.67168606      2.04809970
  H      3.03890493      1.36014139     -1.06631065
  O     -2.53085604      1.60989485      4.92426116
  H      3.43170159      2.76476615      2.13659264
  H     -0.24708397      3.60634615      1.26736804
  O      2.71559831      0.46613609     -0.89945395
  H      0.68691032     -2.20979644     -1.24867830
  H     -1.54017221      3.04488696      0.60022953
  O     -0.63326794      3.32861608      0.42614906
  H     -0.52546312     -2.21177451     -0.29914274
  H      1.85127330     -3.59447101      2.15352495
  O      1.71639477     -2.68593600      1.89872202
  H     -2.15536052      5.06144317      3.43131066
  H      1.24614347     -2.70143359      1.04544970
          69
 Energy    -248.52811968757049     
  O      1.42587859     -1.79553913      6.60468269
  H      1.75146557     -2.68871418      6.43813648
  H      4.73000159     -3.23710644      8.14734592
  O      1.71751171      1.86535306      6.84818074
  H      2.07117249     -1.33525551      7.15933139
  H      7.06459306     -1.45278595      7.32335022
  O      3.76825545     -1.90670064      1.11883754
  H      2.40341671      2.29524922      6.32356240
  H      6.50839299     -0.04856487      7.60721303
  O      1.48111917      0.93351314      2.42343715
  H      2.16009851      1.18678396      7.37131190
  H      5.43134828      0.39384456      5.73326243
  O      0.11060761     -2.65767459      1.95487407
  H      2.95987626     -1.56794015      0.71239725
  H      4.94151465      1.77879196      6.20901889
  O      2.48530844     -4.35042967      5.95368147
  H      3.47926800     -2.55334088      1.77429532
  H      3.90177906      2.76075948      4.46469476
  O     -1.85842191     -1.63566792      3.71023293
  H      0.58453371      1.09026889      2.75597500
  H      4.00302896      4.00398952      5.37757558
  O     -0.91409057      1.72791883      6.24199656
  H      1.40449153      0.38801535      1.63150157
  H      5.16116399     -2.03316937     10.45047960
  O     -1.22957565     -1.09664440      6.27847694
  H     -0.54826061     -2.35427896      2.59212368
  H      5.70856715     -1.51965085      9.09598002
  O     -1.02213514      1.11096806      3.46437046
  H      0.84978588     -3.02678993      2.45549659
  H      2.08032909     -0.94120811      5.08642898
  O      6.81134372     -2.62391979      5.80929231
  H      2.13276719     -5.18079745      6.26337938
  H      2.17958191     -0.13900483      3.73101118
  O      4.71921176     -3.76517426      7.34072516
  H      3.30973806     -4.19449632      6.44862303
  H      2.55184518     -3.83185584      4.09544774
  O      6.91350955     -0.81655755      8.03377243
  H     -1.65391785     -1.51650239      4.65491743
  H      2.55639216     -2.38451363      3.59065744
  O      5.35029935      0.95966951      6.51459242
  H     -2.76754708     -1.92051747      3.66325774
  H      3.01827305      1.86092632      2.62937838
  O      3.88233745      3.05823020      5.39205074
  H     -1.35878992      2.41385422      6.73248543
  H      4.51330778      1.55141103      2.43235675
  O      4.93588351     -1.92447592      9.53075955
  H      0.03201918      1.79765789      6.46178206
  H      6.16950702      0.13518075      1.02801971
  O      2.63501108     -0.75467469      4.31918877
  H     -1.21178724     -0.13544708      6.36662166
  H      4.92067143     -0.65824737      1.48000603
  O      2.52430550     -3.30622177      3.28869239
  H     -0.32913011     -1.39446230      6.47189213
  H      0.77339603     -1.54607108      0.82773049
  O      3.90857431      2.18395643      2.83395429
  H     -1.02837566      1.39723843      4.38673367
  H      0.80049689     -0.83982347     -0.55143843
  O      5.54282740      0.04563381      1.74049648
  H     -1.37372514      0.21231860      3.46142864
  H      3.98884754      0.15361099      7.46050148
  O      1.25591992     -0.89553558      0.28364855
  H      6.30213300     -2.02138853      5.24037845
  H      3.71669003     -0.79099200      8.64777736
  O      3.27888944     -0.24835376      7.98143340
  H      7.44994379     -3.05847009      5.24995457
  H      5.59794481     -0.50033334      3.48752778
  O      5.36232122     -0.80634593      4.37177667
  H      5.46554147     -3.45752548      6.81087007
  H      4.39271661     -0.81526290      4.40222813
          69
 Energy    -248.52810957898200     
  O     -2.31678630      4.25699249      5.07379089
  H     -1.81052343      4.19659299      4.25031388
  H      0.87105367      2.83697361     -1.46557711
  O     -1.82631853     -0.34852515      4.22486616
  H     -2.14594965      3.42955471      5.53781155
  H     -5.29828499      5.35646431      4.88576495
  O     -3.63782112      1.23969908      0.19012143
  H     -2.57165841     -0.93994282      4.04117863
  H     -3.99883719      4.54210991      4.68755885
  O     -1.71676239     -2.51898281     -1.11563548
  H     -1.16504739     -0.49726472      3.53352819
  H     -1.49091692      4.13297770      0.90553278
  O     -0.23190314     -0.71352911      2.01041172
  H     -3.50444537      1.39014859      1.14055682
  H     -2.57844460      4.17041280     -0.18788005
  O     -6.20016637     -0.37873985      4.52329709
  H     -3.94207062      2.07911947     -0.17287505
  H     -5.60346249      3.85577719      2.83136597
  O     -7.12931456      0.89522299      2.32665333
  H     -1.52315830     -1.57758444     -0.97210222
  H     -6.29317156      2.63567025      2.14863436
  O     -2.14606059      1.56673577      6.19484069
  H     -1.36814697     -2.74173045     -1.97534015
  H     -1.94517733      2.92593436      2.69745349
  O     -1.24793756      0.11495520     -0.50845637
  H     -0.59465865     -0.37768987      1.18007601
  H     -0.41042950      3.04706763      2.50857438
  O     -5.24397447     -0.81937014      1.03166219
  H     -0.27052822     -1.67839567      1.93395138
  H     -4.98075718      3.77932361      0.50707406
  O     -3.30046806     -4.34232566      2.39392177
  H     -5.75298969      0.38537852      4.91770124
  H     -5.03747198      4.31044850     -0.94343212
  O      0.27379599      2.42189844     -0.84951028
  H     -5.50242928     -1.00543955      4.29540035
  H     -3.78873274     -2.74184738      3.19926012
  O     -4.95634336      4.55109549      4.50658031
  H     -8.07938583      0.83270779      2.26398017
  H     -4.38445298     -1.45340531      2.58388805
  O     -1.62503619      4.18825871     -0.05178388
  H     -6.87522448      0.43809291      3.14860708
  H      0.83754685      2.06234692      0.99076766
  O     -5.86403476      3.48352061      1.98085976
  H     -1.74157727      1.30568086      7.01858865
  H      0.68346826      0.97682445      2.07452321
  O     -1.21926546      3.56358486      2.64131103
  H     -1.93583626      0.86939932      5.55127561
  H     -4.97807145      2.81247096      5.15278871
  O     -4.47640063      3.85257797     -0.32336541
  H     -0.65755633      0.84382646     -0.73706658
  H     -3.94570099      1.78826219      5.71173042
  O     -4.02115258     -1.82644503      3.39953812
  H     -2.11268950      0.50927921     -0.31997814
  H     -4.67693139     -2.45227086      0.30072226
  O      0.87625526      1.91375286      1.94365896
  H     -5.99159879     -0.32841076      1.39161421
  H     -3.42054143     -2.99956514     -0.42313440
  O     -4.79552045      1.87045221      5.25903056
  H     -4.68418992     -0.15337901      0.60716578
  H     -1.00680211     -3.20474300      0.55523234
  O     -4.20246197     -3.26449658      0.07792631
  H     -3.58384139     -5.24253653      2.52759880
  H     -1.51974684     -3.76018165      1.89131813
  O     -0.74867027     -3.35962139      1.47275090
  H     -3.67112730     -4.05231298      1.53981951
  H     -3.90044923      1.78376727      3.51232916
  O     -3.21684654      1.60605867      2.85787533
  H     -0.40819953      3.08309488     -0.63117241
  H     -2.66832778      0.90775314      3.24013419
          69
 Ord_Energy   -248.528107    
 O    4.41717243       11.7688084      -11.0625172    
 H    3.70323849       11.3392792      -11.5598431    
 H    5.09987020       11.9701319      -11.7144394    
 O    5.27790642       10.1214972      -14.8176880    
 H    4.65005255       10.4414368      -15.4768991    
 H    4.89056778       9.31887722      -14.4425259    
 O   -1.06546748       11.6457624      -11.5273800    
 H   -1.19192672       10.8210840      -11.0427513    
 H  -0.667295635       12.2635860      -10.9021702    
 O   0.269918054       13.2919264      -9.58740234    
 H    1.09214807       13.5651493      -10.0328913    
 H   -5.94198592E-02   14.0549250      -9.12072659    
 O    3.60316324       9.84130955      -9.25099468    
 H    2.70940447       10.1804752      -9.08752441    
 H    4.06964540       10.5219316      -9.75236988    
 O   0.964744508       8.97672558      -6.56725979    
 H   0.962906301       9.72883701      -7.17590094    
 H    1.87335861       8.65060616      -6.56695557    
 O    4.10534143       13.4764872      -14.9931202    
 H    3.29203773       13.5172338      -14.4687672    
 H    4.80548954       13.2114210      -14.3853979    
 O    2.49386644       10.5546370      -12.6506634    
 H    1.71769786       10.0579681      -12.3669281    
 H    3.03951621       9.91268635      -13.1213217    
 O    3.60066485       8.04985428      -7.15288115    
 H    3.72496271       8.69951248      -7.86540031    
 H    4.44313526       7.95848179      -6.71534204    
 O   0.710640073       8.41461182      -12.0936365    
 H   0.722490072       8.11566162      -13.0106010    
 H    1.51144981       8.06632233      -11.6738615    
 O    1.03501248       10.7395058      -8.75704575    
 H   0.372160614       10.2084494      -9.22122002    
 H   0.810500085       11.6626463      -8.92351532    
 O   0.871036887       10.2402468      -15.6961842    
 H   0.335793316       10.8801270      -15.2123442    
 H    1.67911923       10.6890917      -15.9756069    
 O    3.74444914       8.16486359      -13.6259193    
 H    2.94221425       7.89246368      -14.0901489    
 H    3.66574264       7.84841013      -12.7152700    
 O  -0.732622385       12.0981903      -14.1838951    
 H  -0.885405123       11.8952093      -13.2433844    
 H   -1.55498624       12.4412956      -14.5236244    
 O    3.11356521       7.62558222      -10.9455347    
 H    2.77773595       6.98994923      -10.2963753    
 H    3.36134338       8.41182423      -10.4409781    
 O    2.52542162       13.8900642      -10.9232101    
 H    3.27698207       13.2937660      -10.8188543    
 H    2.24909711       13.7959366      -11.8457060    
 O    2.05813956       6.26680994      -8.81630611    
 H    1.14113104       6.49045849      -8.61837578    
 H    2.59032035       6.72982788      -8.15638638    
 O    1.79645419       13.0995026      -13.5057354    
 H    2.07455206       12.2062645      -13.2483425    
 H   0.890851736       12.9955845      -13.8174963    
 O    3.34992790       11.3750410      -16.5387230    
 H    3.52407336       11.5442190      -17.4614677    
 H    3.61340094       12.1777515      -16.0546436    
 O  -0.560275316       7.25957108      -8.03393936    
 H   -7.97969699E-02   7.84586000      -7.42232895    
 H   -1.17900538       6.76088858      -7.50649786    
 O    1.18489087       7.73769665      -14.7764578    
 H   0.818315625       7.10959435      -15.3920374    
 H    1.04348934       8.62497330      -15.1557159    
 O  -0.891143978       9.21016979      -10.0665588    
 H  -0.936400950       8.50041580      -9.41484737    
 H  -0.397226751       8.86015987      -10.8261452    
 O    6.08185673       12.2083006      -13.2874231    
 H    5.86157322       11.4227953      -13.8210306    
 H    7.01698017       12.3599558      -13.3970871    
          69
 Energy    -248.52787501946739     
  O     12.45410438     12.72724512    -11.58367531
  H     11.74307870     13.33534891    -11.39816176
  H     20.75422850      9.20115753    -13.14634166
  O     19.68100100      7.56927357    -10.60339643
  H     12.03993671     11.88738024    -11.84915759
  H     13.66117210      8.89778423    -15.71043116
  O     16.52204621     10.47293692    -10.57699438
  H     19.74250769      7.00917151    -11.38753203
  H     13.88643104      8.76220018    -17.23333831
  O     12.94601907      8.48158663    -14.11476433
  H     18.74928491      7.56657521    -10.35227667
  H     15.52011620      9.53047873    -13.44612296
  O     16.92409456      6.76739059    -13.04172941
  H     16.05372815     10.28349543    -11.40369437
  H     14.78242139     10.85226174    -13.02396257
  O     14.10989199      6.30672931    -12.83469399
  H     15.87889065     10.95701179    -10.04031195
  H     14.66376025     11.06197902    -16.33426404
  O     19.68826197      6.29827242    -13.17431166
  H     13.19608316      7.61686466    -13.75489337
  H     14.67436272     12.18505267    -15.26899053
  O     14.49184423     12.51452202    -13.46831027
  H     13.50698779      9.10431057    -13.63213352
  H     14.37259697      5.89724294     -9.22760796
  O     18.51834649     10.64674295    -14.72167645
  H     16.80030165      7.44401078    -13.72392556
  H     15.28799132      6.87893141     -9.99523296
  O     16.83680740      7.68803952    -10.40872638
  H     17.83761769      6.46610851    -13.12011685
  H     20.44067528      9.09799946    -11.00484163
  O     17.52347850     12.89954327    -16.02942593
  H     14.02676691      6.25712788    -11.87599454
  H     21.62562082     10.07951631    -10.84122866
  O     20.48495413      8.76801383    -13.96631107
  H     15.06229892      6.31089730    -12.99667740
  H     17.64369058     12.98207639    -12.75889282
  O     14.22120112      9.19027701    -16.44937607
  H     20.25393317      5.62590770    -13.54388846
  H     17.27972604     13.46947000    -14.17547921
  O     14.95332823      9.93092767    -12.77283655
  H     19.98694907      7.15085415    -13.53984012
  H     13.68424491     12.11186025    -10.11477285
  O     14.99065909     11.94947460    -16.15335756
  H     13.81593323     12.77615083    -12.83200113
  H     13.82332113     10.66706758     -9.64105958
  O     14.38111293      6.53245265     -9.93869008
  H     15.32129530     12.97949338    -13.27568657
  H     19.44166970     11.06408966    -11.78083117
  O     20.84436543      9.90982693    -11.36075060
  H     18.29590038     11.41570254    -15.26101751
  H     17.93476789     11.17664775    -11.45020825
  O     17.01922537     13.53247354    -13.24811852
  H     18.52952097     10.94410514    -13.79938264
  H     11.61630987      9.67753201    -13.02084226
  O     14.20551936     11.54928554     -9.53171694
  H     16.76874154      8.65187491    -10.36637388
  H     11.93692007      9.75742484    -11.52842101
  O     18.61953384     11.48506229    -12.06100094
  H     16.85905013      7.42594159    -11.34262105
  H     13.92160900      9.26667642    -11.26290977
  O     11.49596715     10.23563183    -12.24680431
  H     17.71666353     13.48329472    -16.75757662
  H     13.56695661      8.17174007    -10.23106302
  O     13.32892377      9.05782597    -10.52764563
  H     16.61428131     12.57412786    -16.16065864
  H     17.19544032      9.46405445    -14.88561096
  O     16.47976894      8.81904741    -14.79065792
  H     19.87838515      9.38318088    -14.39777335
  H     15.84822113      8.92959196    -15.51042866
          69
 Energy    -248.52743952693118     
  O     -7.37315425     -2.92286142      5.37201187
  H     -8.07759591     -2.33364442      5.67765974
  H     -3.29984959      2.09492449      2.25756964
  O     -9.48202265     -1.64486431      2.56249498
  H     -6.54667787     -2.51524507      5.65380335
  H     -6.67791081     -0.64891940      2.66022439
  O     -7.77403199     -3.89030807      2.90659972
  H     -9.10986669     -2.52585902      2.67863714
  H     -7.10471543      0.21757721      3.89101327
  O     -5.59198533      1.50431288      0.11219064
  H     -8.75876603     -1.03480335      2.77798840
  H     -4.62631776     -1.27013491      5.20976214
  O     -6.83241681      0.78161865      5.69430512
  H     -7.89968807     -4.83463697      2.92755375
  H     -4.41511593     -1.55205504      6.71993722
  O     -5.79556630      5.87685213      1.86484126
  H     -7.61509265     -3.60556556      3.82683343
  H     -1.36574545      3.84550990      1.97903154
  O    -10.57255746      1.56530002      0.45191175
  H     -5.76973989      0.64078434     -0.27614934
  H     -2.73229582      4.17865434      2.62799979
  O     -9.09102005     -0.88163232      6.18657665
  H     -6.44377506      1.80962577      0.46181737
  H     -8.46107061      1.85754550      5.16546804
  O     -4.00675112     -1.07561810      3.62444976
  H     -6.29335021      1.52973981      5.39478300
  H     -8.76748692      3.04123376      4.24586489
  O     -4.51469186      4.13814533      0.19754088
  H     -6.21875062      0.07564713      5.94208872
  H    -10.31896977      1.28036171      3.61444379
  O     -6.52606740     -1.07438148     -0.70342021
  H     -5.39147016      5.28027723      1.20945725
  H    -10.55141165     -0.13424456      2.98873733
  O     -4.00031190      1.45193069      2.42460735
  H     -5.90810165      6.72083986      1.43565017
  H     -6.48838787     -2.80280228      2.09081902
  O     -7.30507131      0.01705786      2.97060897
  H    -11.32457860      2.03887841      0.10859861
  H     -6.04042534     -1.86293467      0.92052685
  O     -5.08079157     -1.34815389      6.06894703
  H    -10.79147032      1.31165335      1.36775216
  H     -9.34556693     -1.25741848      0.73513904
  O     -2.29528822      3.63831216      1.94522172
  H     -8.38334502     -0.22349737      6.15092475
  H     -9.68519972     -0.04602032     -0.13659571
  O     -9.17469153      2.27780641      4.67583306
  H     -9.88027492     -0.42776659      5.89421539
  H     -4.29703749      4.31068504      4.21010729
  O    -10.88835845      0.77060583      3.01990441
  H     -4.50831099     -1.57906604      2.96890546
  H     -4.46600116      5.45613777      3.19851978
  O     -5.86149672     -2.11280337      1.83583348
  H     -3.88726615     -0.19573020      3.24294724
  H     -4.97831346      2.28289085      3.74423476
  O     -9.16673286     -0.85864296     -0.12718192
  H     -3.66854538      3.98948942      0.63826193
  H     -6.18106534      3.24109158      4.01239368
  O     -3.81068801      5.00363123      3.74509745
  H     -4.86505509      3.26102367     -0.00243250
  H     -8.85577209      2.00963550      0.93817293
  O     -5.44990610      2.76798353      4.43693209
  H     -6.43088675     -1.48248591     -1.56018747
  H     -7.81356812      1.36881845      1.90856498
  O     -7.97252591      2.11662483      1.31020609
  H     -7.48279076     -0.97853818     -0.54443245
  H     -7.72837860      3.45596642      2.44075196
  O     -7.54514070      4.08371115      3.15764353
  H     -4.53906020      1.40943354      1.62249861
  H     -7.06112317      4.81637345      2.75793445
          69
 Ord_Energy   -248.527283    
 O   -9.47631645      -8.78075695       8.51567078    
 H   -9.28477669      -9.60294819       8.96128941    
 H   -9.49786663      -8.09086800       9.19853497    
 O   -7.40357447      -7.26824903       4.10377026    
 H   -6.50240850      -7.50498533       3.90106916    
 H   -7.47911549      -7.25812960       5.07392502    
 O   -13.8869019     -0.210802287       5.38331413    
 H   -13.7252884      -1.02991915       5.87189054    
 H   -14.1261864     -0.477456570       4.48712683    
 O   -13.1902866      -3.50890994       3.82926035    
 H   -13.1718273      -3.24389887       4.76021957    
 H   -13.6112041      -2.78812122       3.34432125    
 O   -10.4747887      -2.86372423       3.50389576    
 H   -11.3959551      -3.15654278       3.56310058    
 H   -9.94870567      -3.64907646       3.30983496    
 O   -12.5089960      -5.26470661       7.20284510    
 H   -11.6641588      -5.38464022       6.74173164    
 H   -13.0703287      -5.99651766       6.92253590    
 O   -11.4484968     -0.370556504       2.59449196    
 H   -10.9632530      -1.18888545       2.76753497    
 H   -11.3258209      0.181028023       3.37739325    
 O   -11.4118814      -8.82794285       6.36832666    
 H   -10.8595934      -8.87417507       5.57344294    
 H   -10.8172379      -8.83521748       7.12426853    
 O   -10.9658432      -4.72457314       9.46498108    
 H   -11.6525593      -4.95922470       8.82689190    
 H   -10.3776140      -4.12054491       8.99176216    
 O   -13.2491837      -6.28834867       3.55082750    
 H   -13.4763231      -6.67941046       4.40223122    
 H   -13.3055954      -5.32830000       3.64920306    
 O   -13.7337065      -7.50595188       6.08694601    
 H   -12.9120426      -8.02151680       6.19301653    
 H   -14.4572439      -8.09646797       6.27612829    
 O   -11.4218407      0.923745453       5.15667963    
 H   -12.3357706      0.611211777       5.28493452    
 H   -11.3929281       1.82689869       5.45973396    
 O   -9.33280373      -5.38731098       3.23582125    
 H   -8.56317616      -5.93349504       3.43991399    
 H   -9.95858669      -5.95927429       2.76938391    
 O   -14.0672340      -1.11278844       2.65273333    
 H   -14.5610428     -0.821270645       1.89153898    
 H   -13.1511669     -0.803321004       2.53198767    
 O   -7.91430759      -7.22029638       6.77410889    
 H   -7.59612322      -6.55413055       7.40304613    
 H   -8.37441158      -7.89306688       7.28955364    
 O   -10.3422165      -1.55051744       5.97034121    
 H   -10.2692833      -2.00682735       5.11886501    
 H   -10.5818806     -0.636461735       5.77619648    
 O   -9.86964417      -8.80711174       4.06165886    
 H   -8.98632622      -8.42426109       4.03227758    
 H   -10.3617516      -8.36156940       3.36001277    
 O   -9.42216301      -6.71830463       10.3721189    
 H   -9.38900185      -6.67987776       11.3242254    
 H   -10.0350485      -6.01553106       10.0864620    
 O   -11.1735735      -7.17517328       2.12609076    
 H   -11.4598846      -7.38851881       1.24275064    
 H   -11.9635363      -6.88073111       2.61678863    
 O   -7.43279409      -5.35361624       8.70610809    
 H   -7.98422956      -5.75454617       9.38797760    
 H   -7.89630461      -4.55177975       8.42582798    
 O   -10.0287085      -5.49669170       5.97633219    
 H   -9.41278934      -6.18103361       6.26556730    
 H   -9.90932083      -5.40741920       5.02352667    
 O   -9.21479797      -3.42894411       7.67376089    
 H   -9.45663548      -4.13879108       7.05952454    
 H   -9.47383785      -2.61567688       7.22376823    
 O   -12.9144745      -2.63213348       6.45370531    
 H   -12.8633709      -3.51853752       6.83651733    
 H   -12.0125017      -2.28459644       6.41492271    
          69
 Energy    -248.52716783733445     
  O     16.11830828      9.96585568    -10.28401258
  H     15.45178664      9.56893235    -10.86768556
  H     13.12767170     10.29756971     -7.32617178
  O     14.74941430      4.44439852     -6.30579171
  H     16.93633828      9.45946024    -10.36172290
  H     11.45976708      7.60671117     -4.95486141
  O     15.77044173     12.41360288     -9.17713068
  H     14.95191212      3.66503841     -5.79632322
  H     12.15314057      6.91746290     -6.15723023
  O     12.27610766      5.57428791     -7.20606877
  H     14.80884438      5.20406346     -5.69767345
  H     18.52018238      5.26810751    -11.72792005
  O     14.20059132      8.68933516    -11.68322504
  H     15.61879283     13.06683975     -9.85484379
  H     18.68292945      3.75913837    -11.49659384
  O     18.42958471      8.41498857    -10.32018160
  H     15.88276483     11.55845675     -9.62910324
  H     15.46673229      5.21587791     -7.80472479
  O     19.77559392     10.11805884     -8.56941122
  H     13.03677349      5.03550417     -6.96150222
  H     15.53226550      6.67315791     -8.35310929
  O     18.52001439      6.07044078     -8.84532492
  H     12.30229826      5.67392779     -8.16887683
  H     16.52096190     10.18410606     -5.31353740
  O     12.42763330      6.04267604     -9.93488135
  H     13.34707900      8.81150888    -11.24829670
  H     16.55340990     11.31103596     -4.25440644
  O     14.19848658     11.64029398     -6.92230751
  H     14.43688637      7.76102929    -11.55138893
  H     14.30410165      8.71013702     -7.95235305
  O     11.82704863      8.84728452    -10.13995954
  H     18.97306118      9.05758508     -9.84560462
  H     15.54433051      8.96267233     -8.84620175
  O     12.68268496      9.48766154     -7.62160986
  H     18.43938342      7.61277126     -9.77609322
  H     17.27194325     12.13625656     -8.07631843
  O     12.19181965      7.68933629     -5.56011038
  H     19.13999810     10.74361169     -8.17784978
  H     17.52811377     11.63797833     -6.64454791
  O     18.96832748      4.61172253    -11.17474423
  H     20.62649754     10.54824764     -8.55569263
  H     15.48952809      7.31734721     -5.01547873
  O     15.81152600      5.76010295     -8.52241334
  H     17.58421289      5.88514093     -8.67614594
  H     13.94996902      7.13898841     -4.95161030
  O     16.42100440     11.14332884     -5.18363500
  H     18.80414253      5.46688224     -9.54398224
  H     15.88596088      6.17500654    -11.66565222
  O     15.20390334      8.41067167     -8.13181775
  H     12.15837144      6.96031837    -10.06486428
  H     15.33104417      5.85061573    -10.26406046
  O     17.96406278     11.81061481     -7.48767460
  H     13.22494005      5.92265878    -10.46207738
  H     19.45873007      8.64492537     -7.32976493
  O     14.78891289      6.69008914     -4.79202241
  H     14.87989512     11.52049919     -6.24974423
  H     19.05152282      7.16223432     -7.41699109
  O     15.06633617      6.04455021    -11.17609541
  H     14.65673847     11.99158843     -7.69608415
  H     17.58119065      8.26396747     -6.03592427
  O     19.15078508      7.90044249     -6.80023987
  H     10.95787439      9.20698640    -10.29778460
  H     16.16258733      8.50433839     -6.62273773
  O     16.67473397      8.51032456     -5.80042011
  H     12.08244154      9.11730555     -9.24162019
  H     17.56265490      7.20836955    -13.24222802
  O     17.59041754      6.77346822    -12.39292481
  H     12.45034531      8.95812421     -6.84761094
  H     17.91975674      7.42928001    -11.75643796
          69
 Energy    -248.52709666139447     
  O     -1.85561379      5.15650873      2.13365499
  H     -2.43881112      4.64869145      1.55627071
  H      0.19849919      8.14359019     -1.31490608
  O     -2.28900439      5.56309927     -1.65233988
  H     -1.66200066      4.62429576      2.91644115
  H      0.70888121      1.92265905      2.28465919
  O      4.55524801      5.97793229      1.11019776
  H     -2.13908253      6.47884999     -1.38740718
  H     -0.66688108      1.43354284      1.82660554
  O      2.10529183      7.31957078      1.05094070
  H     -1.42879189      5.23325227     -1.94505635
  H      0.24082239      2.83428970     -2.15583449
  O      0.29419900      4.56903085     -2.02481346
  H      4.34983131      5.47662169      0.30037721
  H     -0.47091718      1.55969066     -2.69174248
  O      2.05113004      2.75744576      1.36061764
  H      5.46668837      6.24865462      1.04050061
  H      1.92052953      6.94457354     -2.48136248
  O      0.56204031      5.00451124      0.67536194
  H      2.99327625      6.95502042      1.15710184
  H      2.57175819      6.59199769     -3.84221570
  O     -1.62443473      8.20991960     -0.81491395
  H      1.80165788      7.65129483      1.90572188
  H      0.45566090      4.86796902      4.39814865
  O     -1.37720319      1.37601185      0.10345418
  H      0.39594284      4.74494448     -1.07567160
  H      1.94347567      5.12885589      4.03436577
  O     -1.42157762      7.88107540      1.85988056
  H      0.95722341      5.09847097     -2.48275641
  H     -2.46773513      1.60497585     -4.25485662
  O     -3.07382977      3.64115717      0.10247161
  H      1.54148361      3.54797931      1.12259409
  H     -2.80182723      1.28730659     -2.79217126
  O      1.15083023      8.05861906     -1.44113989
  H      2.40665051      2.40161064      0.53969674
  H     -1.35029472      3.22504062      5.07323013
  O     -0.15458862      1.64049894      2.61828274
  H      1.07933868      5.80679889      0.82548596
  H     -0.68936101      2.84057316      3.72739143
  O      0.25427895      1.86318331     -2.12964130
  H     -0.25487328      5.08367522      1.18304211
  H      1.96489755      1.84092299     -1.60844232
  O      2.32001937      6.22169312     -3.00124766
  H     -1.55201773      8.13153697      0.15352217
  H      3.36634870      1.20023446     -1.50778990
  O      1.13634150      5.54752275      4.36998941
  H     -2.17315459      8.97147330     -0.98416102
  H      1.13719562      8.66061377      4.17927187
  O     -2.10020810      1.22931094     -3.45742957
  H     -0.73018045      1.49586397     -0.60576062
  H      0.98156621      7.15647181      3.84601949
  O     -0.98667585      3.59191327      4.27221129
  H     -2.17585315      1.03073438     -0.30823136
  H      2.99985712      3.69935694      2.64641673
  O      2.85718355      1.96296357     -1.24400908
  H     -1.67955104      6.96331004      2.02806600
  H      3.87260776      4.95446220      2.59234904
  O      0.93680645      8.05630151      3.47053775
  H     -0.66355915      8.04971982      2.43057293
  H     -3.82005536      2.27228820     -0.85467978
  O      3.36810183      4.40169301      3.19989936
  H     -2.84277509      4.33194981     -0.54191688
  H     -4.78012298      1.07953445     -1.05321765
  O     -3.92722448      1.42064203     -1.31016484
  H     -2.32951985      3.02647298      0.17011015
  H      3.55051955      3.77143993     -1.25034200
  O      3.87235461      4.67645231     -1.17266309
  H      1.52387912      7.91411718     -0.55942262
  H      3.39931882      5.19670028     -1.83400061
          69
 Ord_Energy   -248.526840    
 O   -1.40387928       1.54595327       3.56886625    
 H   -1.46718872      0.592876494       3.71629453    
 H  -0.767904520       1.87764835       4.21404886    
 O    1.25218987      -3.44421387      -1.87493801    
 H    1.30423450      -4.06735754      -2.59448218    
 H    2.16745806      -3.20986152      -1.63738132    
 O   0.787221372       2.05418277       5.26316452    
 H   0.961165786       2.22886586       6.18492460    
 H    1.16801524       1.18311346       5.06803513    
 O    3.67197680      -2.57868242     -0.985396922    
 H    3.70990705      -1.62445998      -1.13290286    
 H    3.58482432      -2.69390202      -2.99481004E-02
 O    3.26638794      0.236011937     -0.983031511    
 H    3.33332896       1.17412114      -1.20248532    
 H    3.23204589      0.201179981      -1.88311599E-02
 O   0.718759656     -0.617849231      -1.94819248    
 H   0.781090021      -1.57838476      -1.98218524    
 H    1.58216381     -0.301559687      -1.65409219    
 O    1.06400561       3.85665298       2.99079847    
 H    1.06293547       3.38697028       3.82953453    
 H    1.89473832       3.61562681       2.55486560    
 O    3.09211802       3.02308559      -1.17171919    
 H    3.34875822       3.75646687      -1.72425032    
 H    2.12034249       3.04341364      -1.10773277    
 O   0.297780544      -3.40696239      0.772847593    
 H  -0.309424371      -2.65103793      0.779303133    
 H   0.525708139      -3.56883216     -0.150484547    
 O   -3.10555148       2.74045229       1.79843187    
 H   -2.56798148       2.32772446       2.49595261    
 H   -3.90185523       3.05720901       2.21863699    
 O    2.79754329      -2.63648057       1.72386420    
 H    2.85139966      -2.90780973       2.64705420    
 H    1.92352176      -2.90834498       1.40443945    
 O   0.402444780       2.91268706     -0.854800522    
 H   -7.00721219E-02   3.53019166     -0.272074163    
 H  -0.240385696       2.43167281      -1.38972151    
 O    2.84353495      0.106338009       1.83844352    
 H    2.85573030     -0.860381782       1.77049899    
 H    1.95088720      0.424410641       1.61490166    
 O   -1.29487026       1.15841985      -2.22167230    
 H  -0.605379701      0.472874016      -2.14628935    
 H   -1.58016312       1.16306639      -3.13171101    
 O    1.71811140     -0.421543092       4.38392830    
 H    2.01651335      -1.31720364       4.58797121    
 H    2.19102454     -0.155899763       3.58429384    
 O  -0.844486177       4.34561872       1.03698146    
 H   -1.66960156       3.92081642       1.29611480    
 H  -0.229454264       4.26521492       1.78310072    
 O   -1.18316105E-02  -3.88485146       3.56071925    
 H  -0.547491610      -3.10703349       3.76318145    
 H    1.78066697E-02  -3.93590426       2.59596539    
 O    2.41924477      -3.15647316       4.49760246    
 H    2.79745436      -3.77604198       5.11530399    
 H    1.55076480      -3.51195145       4.23299456    
 O   -1.24437511      -1.14715564       1.00939786    
 H   -2.04407239     -0.746212482      0.642454088    
 H  -0.580336332     -0.443520337      0.972544253    
 O   0.378908336       1.06520522       1.28164768    
 H   0.403337687       1.71691883      0.569811285    
 H  -0.124306567       1.44664955       2.00974941    
 O   -1.00441658      -1.21509874       3.76952004    
 H   -8.44962895E-02 -0.961933792       3.92674637    
 H   -1.13877201      -1.24758744       2.80855083    
 O    3.37515497       2.93231583       1.70636666    
 H    3.38944149       3.04909635      0.748842955    
 H    3.40597677       1.97981203       1.85241795    
 O   -3.10024524      0.540735841      -8.03967416E-02
 H   -3.16445804       1.31885409      0.486466199    
 H   -2.56532717      0.803456783     -0.840600550    
          69
 Energy    -248.52661911202657     
  O      0.58993568      2.16796483      4.49146172
  H     -0.18137815      2.68854767      4.75355495
  H     -1.33084027      2.94252563      0.97500373
  O      1.27014681     -2.33700788     -2.49657007
  H      0.52939274      1.33484046      4.97242407
  H     -1.58314737      0.39212699      5.79219649
  O      0.10556579     -0.31471996      5.98581522
  H      0.52972832     -1.73637228     -2.33677983
  H     -2.29813146      1.72648703      5.44196799
  O     -0.75332199     -0.65173237     -1.43323200
  H      0.97595826     -3.20852591     -2.20346662
  H      0.63327051      1.48354941      1.32707327
  O      0.48018991     -4.72313461     -1.10247991
  H      0.60657311     -0.56661763      6.75720059
  H      0.41653241      2.19374426      2.70901969
  O      1.93155373     -3.61294231      0.92873136
  H     -0.18454012     -1.14164178      5.56140858
  H     -3.39765009      0.68814640     -0.44294050
  O     -3.58513609      3.30171063      3.03027176
  H     -0.09837360     -0.31057887     -0.80886240
  H     -3.63355278      1.27317072     -1.85642571
  O     -3.59837534     -3.03808295      4.14403443
  H     -1.48032532     -0.01710736     -1.45997136
  H     -2.00584929      0.36987014      3.62684255
  O      3.19321503     -1.63517138     -0.70650981
  H      0.62628508     -5.65804893     -1.21734580
  H     -1.19112870      0.93377745      2.42229360
  O     -5.67619925      1.28906507      2.91921666
  H      1.03793391     -4.43771847     -0.35680174
  H     -1.36888744     -2.20753464     -0.68949825
  O     -4.74941539     -0.48139273      4.73362413
  H      1.33368818     -3.10832911      1.49184181
  H     -0.98695652     -3.70775538     -0.55014973
  O     -2.20255569      3.19563075      0.63722533
  H      2.49334789     -2.96565480      0.48195661
  H     -2.02953599      4.29833865      5.55981183
  O     -2.40554485      0.76604971      5.45106359
  H     -4.32163984      2.68400847      2.98561199
  H     -2.49761071      3.47649531      4.33518382
  O      0.08050524      2.11634415      1.80313943
  H     -3.17035625      3.31501462      2.15452126
  H      0.82238957     -0.72491679      1.08798568
  O     -2.95209551      1.06500534     -1.22173273
  H     -4.04087247     -3.84539918      4.39458740
  H      2.00746476     -0.46520493      0.12277934
  O     -1.74698541      0.19795261      2.71405931
  H     -3.66922403     -2.97263083      3.17475875
  H     -0.49966691     -2.53072451      3.81638922
  O     -1.55206891     -3.01507133     -0.18725359
  H      4.05451704     -1.50506272     -1.09315778
  H     -1.79560784     -2.70334335      4.62118108
  O     -1.89253512      3.47467376      5.10074957
  H      2.58663382     -1.87160681     -1.43168043
  H     -0.70513100     -2.41040870      1.31064253
  O      1.21812527     -0.06232192      0.50480384
  H     -6.59980727      1.47488901      3.06302431
  H     -0.76864861     -1.24942832      2.34176110
  O     -0.85159520     -2.52096957      4.71459065
  H     -5.40961234      0.64316249      3.59933459
  H     -3.10159655     -2.96675081      0.83616860
  O     -0.20869076     -1.97359593      2.01753797
  H     -3.98631157     -0.02829903      5.12182269
  H     -4.00686091     -1.80438031      1.27733979
  O     -3.79810623     -2.72958921      1.46144379
  H     -4.45083773     -1.38062207      4.55736926
  H     -4.68533178      0.48837339      1.59748121
  O     -3.98334540      0.05707975      1.09415564
  H     -2.40040886      2.57972754     -0.07484558
  H     -3.18823692      0.10860067      1.64767736
          69
 Energy    -248.52661287530748     
  O     17.88324756      8.09160344    -12.57423052
  H     17.23429315      8.80271026    -12.70481885
  H     17.21066961      9.18055407     -6.10697945
  O     18.86395538      8.27991047    -15.11933559
  H     18.42656362      8.37662838    -11.82742949
  H     14.23654502      9.74590742    -10.31972274
  O     11.78510637      8.08031092    -12.42329654
  H     19.31453034      7.49011758    -15.40705716
  H     14.17771956     11.20430277    -10.93072851
  O     15.79480347      6.48941984    -11.63224579
  H     18.54440611      8.10839198    -14.21720992
  H     18.98474227      7.96548208     -9.11195273
  O     19.15330900      9.27674509    -10.43295671
  H     10.84574881      7.91842409    -12.37173507
  H     18.14897448      6.70991837     -8.73877527
  O     20.48951053     11.29199483    -11.85867865
  H     11.90064455      8.87530565    -12.96631715
  H     16.86906921     12.82028072    -12.58497007
  O     17.15407529     10.82023723     -9.24270708
  H     16.12146875      6.01324591    -10.85826310
  H     16.70366693     12.73105605    -14.14077157
  O     16.80035105      9.82016499    -16.36175545
  H     16.54947390      6.97430272    -11.99278156
  H     16.68284139      4.60122927     -8.79195743
  O     13.90079369      6.53919002    -13.74409542
  H     19.74123113      9.90532804    -10.87010579
  H     16.07957847      6.02391908     -8.69286849
  O     14.58693617      8.94968608    -14.87156452
  H     18.43651419      9.80415512    -10.04802228
  H     16.18641723     10.92630105    -13.05788621
  O     12.32463695     10.26474022    -14.11033383
  H     21.35769667     11.68550639    -11.83967274
  H     15.54891838     10.09214122    -11.93682072
  O     16.97749459      9.07796385     -7.02593429
  H     20.26258816     11.15670639    -12.79613372
  H     19.55478983     10.01167613    -14.71789829
  O     14.69406503     10.59468388    -10.38271184
  H     16.25872173     10.79260698     -9.61431179
  H     19.10230777     11.47897323    -14.85624245
  O     18.67447085      7.42925824     -8.36916959
  H     17.10151760     10.36941590     -8.39176026
  H     17.28105307     11.45747034    -16.01599343
  O     16.22526781     12.70644444    -13.30347983
  H     15.96664249      9.48298798    -16.00902351
  H     17.72671587     12.85609931    -16.50655063
  O     16.71260952      5.46942444     -9.18536583
  H     17.48632003      9.21935381    -16.04433931
  H     13.00430679      8.00032940    -11.01050066
  O     16.00449079     10.01724819    -12.78434169
  H     14.55210908      6.36446452    -13.05091521
  H     14.46761097      7.50831614    -10.85675253
  O     19.75450200     10.91040427    -14.42988263
  H     13.11479297      6.86974632    -13.29427482
  H     17.72981837     12.18654347    -10.45655274
  O     17.62629558     12.32068912    -15.72389679
  H     14.38757722      8.03286192    -14.63216878
  H     18.90274145     12.30782904    -11.43945163
  O     13.76296507      8.00515517    -10.41504896
  H     15.09915524      9.32192758    -14.13609866
  H     13.14096328     11.64181193    -12.94323620
  O     18.03343569     12.67123456    -11.23463172
  H     13.11310789      9.84154240    -14.49255530
  H     14.40190733     12.51183508    -12.70884169
  O     13.57806348     12.21039284    -12.30021831
  H     11.83216350     10.63666867    -14.83822692
  H     14.45062508      7.56202495     -8.69365198
  O     15.01056231      7.20935686     -7.99013932
  H     17.63567034      8.47567807     -7.41818641
  H     15.52607965      7.94471900     -7.63661340
          69
 Energy    -248.52655429653129     
  O      9.61665754     11.70162031    -10.53923560
  H      9.90491765     11.43383610    -11.42829592
  H     13.67230839     12.08743651    -13.29333778
  O     13.61794314      9.29162430    -16.64730959
  H      8.68414233     11.89435619    -10.59703115
  H     16.96855254     10.28122385    -10.26871121
  O     11.49743734      7.09087720    -10.68309259
  H     13.19967812     10.16444276    -16.53721300
  H     18.20165485     10.42416935    -11.19179293
  O     14.30819589      8.83216278    -13.97266685
  H     14.03954471      9.29206934    -17.50229276
  H     15.55567564      7.96354226    -12.78919332
  O     12.29879177     11.62787853    -16.17866833
  H     11.13670643      7.78746362    -10.12008135
  H     16.60683302      8.46934356    -11.77482347
  O     11.72442219      8.34517531    -13.11012976
  H     12.42558092      7.00309212    -10.42329500
  H     13.00788467     15.69204795    -11.97953826
  O     15.02214419      8.21198094     -7.46129192
  H     14.20036639      8.91829156    -14.92779470
  H     13.74371958     14.40750923    -11.52397120
  O     13.45134713     10.00709450    -10.62141032
  H     13.43662159      8.60351643    -13.61565576
  H     14.58612953      7.52697049     -9.16032372
  O     12.84738247      9.82390240     -7.19857402
  H     12.53238393     12.05805427    -15.34583469
  H     14.93791173      7.34996426    -10.68342642
  O     15.10092335     13.44552746    -10.95755571
  H     11.36541919     11.39501082    -16.10010123
  H     10.15979378     10.86788248    -13.85647925
  O     11.02555012      9.55710961     -9.33677670
  H     11.60042573      7.81619887    -12.30924003
  H     11.38361036     11.51025697    -13.15025461
  O     12.84559794     12.51423590    -13.55095435
  H     11.33161516      9.21144616    -12.94852309
  H     13.14130838     12.57667131     -8.90721444
  O     17.27457289     10.20089605    -11.18965703
  H     15.20907181      7.72502255     -6.66318075
  H     13.78110611     11.25329255     -9.37913966
  O     16.08068891      7.69982553    -12.02208886
  H     14.21261260      8.72775098     -7.29399665
  H     14.87540150     10.32152113    -13.23308807
  O     12.89765455     14.75196810    -11.86330770
  H     13.95493607     10.34282381    -11.36845787
  H     15.93830018     10.82376404    -12.21951463
  O     14.21441676      7.39514849    -10.04045567
  H     13.75005017      9.10084521    -10.45553989
  H      8.86969553     10.55747167    -16.11466728
  O     10.59453812     10.97020513    -12.99958200
  H     13.16196325     10.69819314     -7.45490025
  H     10.09388402      9.68289411    -15.74864449
  O     13.91667809     12.00753901     -8.78166846
  H     12.09414984      9.64701081     -7.77870416
  H     15.99591358      9.64797895     -8.21753309
  O     15.12435549     11.07843398    -12.67807869
  H     14.81553122     13.03374129    -10.13127750
  H     15.62966972     11.10830127     -8.53665505
  O      9.68749018     10.56049684    -15.62541337
  H     15.25262526     12.71922132    -11.57183311
  H     11.96580777     13.94569427    -10.35492918
  O     16.31482242     10.44195600     -8.66563265
  H     11.82282941      9.72622794     -9.86345267
  H     10.96309445     12.88120540     -9.86283060
  O     11.71265102     13.42200518     -9.58573651
  H     10.39715932     10.23673701     -9.60366085
  H     11.23659014      8.07966759    -14.87540755
  O     11.05756005      8.23408144    -15.81487279
  H     12.79142545     13.34518144    -13.06153511
  H     11.91456212      8.42180313    -16.21516195
          69
 Energy    -248.52648835616867     
  O     11.77607085     10.44651375    -15.51560727
  H     11.52532394     11.28661593    -15.89305361
  H     15.99578852      5.02786432    -14.55219041
  O     13.89762343      3.80378119    -16.49164125
  H     12.39406813     10.64122003    -14.79066980
  H     14.95698851      9.57396564    -10.65143309
  O     14.38208744      6.60551375    -11.48931934
  H     13.30259098      4.55690996    -16.66724274
  H     15.28665225      8.11762767    -11.02415481
  O     18.16407031      7.94572134    -11.76017416
  H     13.79373663      3.19514841    -17.21741372
  H     13.42804802      8.77934904    -13.57041910
  O     13.56049035      3.34687690    -13.69449845
  H     13.58156165      6.36339630    -11.01023847
  H     14.25498607      7.83392397    -14.47241493
  O     10.23175729      8.91193133    -13.60298786
  H     14.09345648      7.04138570    -12.30860786
  H     12.67990827      9.15176996    -16.66957944
  O     12.27488259      5.89917514    -16.84750859
  H     17.40089288      8.34380363    -11.32106681
  H     14.03633629      8.42619367    -16.81908808
  O     18.12770447      8.78655673    -14.63510930
  H     18.21872058      8.35819979    -12.62802571
  H     11.55459534      5.59217524     -9.62662560
  O     11.25475727      6.40740618    -14.29126284
  H     13.64056389      3.42854171    -14.65308263
  H     11.60651851      5.30044232    -11.14289258
  O     18.54481329      5.28076068    -12.11903687
  H     14.39594016      3.65639944    -13.32157752
  H     11.42232669      7.80773298    -10.88732307
  O     18.64342935      6.14626619    -14.84768070
  H     10.38707047      8.00445957    -13.89993083
  H     10.89874461      8.84114678    -11.92356849
  O     16.09720312      5.20008285    -15.50011155
  H     10.61444422      9.47015198    -14.28916435
  H     16.79490990      4.73824224    -12.48925309
  O     15.68635652      8.99022487    -10.89515940
  H     11.77106256      6.02268980    -16.03271864
  H     15.38086861      5.33201265    -12.26321733
  O     13.59417695      7.84965920    -13.76756487
  H     12.55327373      6.78614371    -17.11486961
  H     10.63563404      3.50342247    -12.63289268
  O     13.15808678      8.51249434    -17.21084487
  H     18.80285169      9.28020022    -15.09536815
  H     12.12379876      3.83181620    -12.91171785
  O     11.84257093      5.95145288    -10.46264605
  H     18.35340978      7.84437234    -14.74151681
  H     12.57821517      9.86954173    -10.68990214
  O     11.35693444      8.74898499    -11.07452448
  H     12.08311377      6.87979140    -14.11158199
  H     13.00368913     11.16415028     -9.95299176
  O     15.87420667      4.66928988    -12.76873321
  H     11.22192466      5.64912668    -13.69929025
  H     15.72448995      6.94250912    -15.76733579
  O     11.30458738      4.17104519    -12.50593186
  H     19.21656021      4.94187799    -11.53363233
  H     16.35569926      8.32097573    -15.46466706
  O     13.30454356     10.51200099    -10.57964530
  H     18.42505496      6.22193346    -11.89724448
  H     13.32996524     10.75740662    -12.45806163
  O     15.54313424      7.89454699    -15.74988988
  H     17.86659608      5.72224205    -15.23828108
  H     14.46162760     10.69558391    -13.51016839
  O     13.49782839     10.67209840    -13.40383134
  H     18.75022334      5.74885725    -13.97466278
  H     16.09012016      9.95302756    -12.45331834
  O     16.20160193     10.44197394    -13.28144843
  H     15.42090003      4.67996473    -15.95094285
  H     16.86591736      9.96153590    -13.78411083
          69
 Energy    -248.52643458616174     
  O     15.94493646     10.06542300    -16.74943859
  H     15.03742998     10.23382170    -16.47366050
  H     18.64304447      5.52484123    -10.95523926
  O     16.24079969      5.08410462    -13.47193384
  H     16.45614640     10.88087973    -16.62020561
  H     19.23670515      9.64258458    -17.24764309
  O     17.12515512     13.91755884    -11.23977382
  H     16.63023249      5.26023943    -14.33499794
  H     20.51645000     10.48218733    -17.47062256
  O     19.68220752      8.96094582    -14.39892183
  H     16.90475003      5.35114788    -12.82373395
  H     17.84347244      8.76642084    -14.49952566
  O     15.07803638      6.28594247    -17.33021131
  H     17.34227971     14.83187700    -11.08135166
  H     16.55465697      9.15012394    -15.30474233
  O     16.63292397     10.45906277     -8.93146248
  H     17.76387340     13.38179716    -10.73601286
  H     12.56740872     10.60498709    -15.99031596
  O     15.21959620      8.37273354    -12.46849534
  H     19.86520618      9.49955747    -15.17881047
  H     13.33863580      9.33750106    -15.54613958
  O     17.09511233     12.11695223    -13.40982280
  H     19.62574583      9.53869310    -13.62506554
  H     16.55882036      8.44337475    -11.32878892
  O     19.65370476      6.17513946    -14.24391400
  H     15.29457803      6.50275464    -18.23526465
  H     17.16970781      9.07626513    -10.05356432
  O     13.75386949      6.08847247    -13.13515401
  H     15.92551745      6.11476647    -16.89410988
  H     13.93092607      7.15776820    -16.19652248
  O     17.45486670      6.22915800    -15.86290984
  H     16.01850112     10.98703729     -9.47305316
  H     13.43307661      7.07511085    -14.73566602
  O     18.27772361      6.02179222    -11.68426492
  H     16.26765352     10.43214641     -8.05109571
  H     18.12754480     11.58632669     -9.44746273
  O     19.82153491     10.30672323    -16.84150200
  H     15.79700904      8.39877514    -13.25112336
  H     19.03596296     11.57725265    -10.68476820
  O     16.89459729      8.60353491    -14.58296869
  H     14.62252207      7.62463710    -12.58055562
  H     18.43212328      9.71912306    -11.73619749
  O     13.37887329     10.31181823    -15.58470795
  H     17.10908470     12.85068044    -12.78235651
  H     18.28829623     10.97737953    -12.64475180
  O     17.37166835      8.50062031    -10.80168804
  H     16.21373669     11.72095698    -13.35826632
  H     15.64715651     12.79591906    -10.72796532
  O     13.41388588      7.62558803    -15.52595117
  H     19.29892989      6.05212406    -13.35591421
  H     14.74331507     11.72379399    -11.36519874
  O     18.73709758     12.13654456     -9.95490121
  H     19.82980242      7.12507373    -14.31392022
  H     17.19668208      8.95611590    -17.56436745
  O     18.93149553     10.41045879    -12.19232500
  H     14.61148872      5.64308553    -13.26110069
  H     17.94551953      7.63878067    -17.26423868
  O     15.08582297     12.03865359    -10.51893011
  H     13.15804981      5.44285403    -12.76581340
  H     14.71722553     10.06230168    -12.79072574
  O     18.00754884      8.46194303    -17.75898544
  H     18.31116063      6.03951269    -15.45097163
  H     14.08029327     10.88478028    -13.92776360
  O     14.55572825     10.96875737    -13.09283920
  H     17.13025291      7.02463586    -15.41022401
  H     18.48694012     11.63740116    -16.33327245
  O     17.65544201     12.09711374    -16.16676077
  H     18.02349839      6.88643086    -11.32525187
  H     17.56158546     12.18308099    -15.20789529
          69
 Energy    -248.52619075375185     
  O     10.67347101     10.75876929    -12.65442731
  H     11.63388571     10.63012144    -12.58618263
  H     16.56909282      7.76799994    -18.34738556
  O     14.56216699      7.22992068    -15.47106617
  H     10.48994898     11.63646704    -12.32945387
  H     17.92734359      5.94522672    -15.00527949
  O     17.54360403      9.30367978     -9.99001177
  H     15.12907240      7.47934593    -14.72478047
  H     17.76330107      6.84088667    -16.26355369
  O     17.54578914     11.20892790    -14.19847775
  H     15.13149025      7.23932186    -16.24964906
  H     17.14066159      8.23182829    -13.75926914
  O     13.43755839      9.77177584    -15.42057301
  H     16.97480744      9.75037885    -10.63889413
  H     16.02267404      8.68409833    -12.80815763
  O     14.25624330      5.67290539    -10.17043989
  H     17.67489870      9.91763565     -9.27156274
  H     10.17127627      8.98055066    -12.13358310
  O     12.62660842      5.85040098    -14.10811682
  H     18.12769689     11.95588098    -14.31507612
  H     11.06494727      7.77881836    -11.78499066
  O     16.00084865     10.41752514    -11.95765857
  H     18.10315671     10.41008988    -14.23472581
  H     19.32108815      4.58792343    -11.30717173
  O     16.00726637     10.25838835    -16.44302413
  H     13.73653489      8.85493246    -15.50257351
  H     18.19277242      5.26298696    -12.12161303
  O     14.52424696      4.26823573    -12.68766430
  H     12.47619422      9.76882001    -15.53572250
  H      9.21177125      6.47249721    -14.69588796
  O     18.84728061      8.83975299    -14.18556533
  H     13.96691440      5.24959146     -9.36645067
  H      9.98123407      7.26322727    -13.61039957
  O     16.51282796      7.75172073    -17.39571234
  H     15.16014929      5.99577810    -10.00710489
  H     19.41909325      7.16438059    -11.53982140
  O     18.39727386      6.54462704    -15.59793544
  H     13.25740025      6.26763136    -14.71435946
  H     18.96318327      8.54999183    -11.04003871
  O     16.26831597      7.98496095    -13.42080372
  H     11.73923645      6.11745823    -14.37552184
  H     16.70252339      6.23504863    -13.29452522
  O     10.16121683      8.02075505    -12.03037004
  H     16.46520228     10.80183191    -12.71364657
  H     16.16770067      4.79295379    -13.22581373
  O     18.79434278      5.38047192    -11.36613572
  H     15.05054465     10.45407828    -12.13474616
  H     16.99783669      7.50986714     -9.78192636
  O     10.03425482      6.92295383    -14.52163162
  H     15.08386986     10.26290460    -16.15475917
  H     17.48044889      6.11129185    -10.22323439
  O     19.55944176      8.11228990    -11.65955731
  H     16.51227262     10.65273146    -15.72359168
  H     12.84407372      6.89915254    -12.63752894
  O     16.96933587      5.30911282    -13.39238220
  H     13.80701292      4.64030061    -13.21685500
  H     13.36693090      6.91619451    -11.18155112
  O     16.76350855      6.57431698     -9.77262017
  H     14.41675513      4.64023391    -11.80364199
  H     13.23672835      9.14759810    -12.33678756
  O     12.92043401      7.45335664    -11.84718876
  H     18.87720755      8.05748742    -14.75524436
  H     13.43511938     10.00478892    -13.63102309
  O     13.36081038     10.05182575    -12.66561025
  H     19.21812439      8.60228101    -13.32123837
  H     10.43940447      8.69371158    -15.17287890
  O     10.70210383      9.61121677    -15.31710091
  H     16.40218309      8.67528526    -17.10536391
  H     10.53445082     10.06708773    -14.48323784
          69
 Ord_Energy   -248.526077    
 O   -1.61649156       7.55479622       1.91790652    
 H   -1.98058665       8.44937038       1.88539875    
 H  -0.670877934       7.62494755       2.09005356    
 O   -7.35747814       6.88155651       3.96895409    
 H   -7.78248358       7.36465883       3.24971533    
 H   -7.23461962       5.98063231       3.64508891    
 O    1.18687963       5.45556974       3.88930631    
 H    1.27528083       6.29848003       3.40859056    
 H    2.03252864       5.28158951       4.29608536    
 O   -6.88931179       4.29680109       2.76715374    
 H   -5.95827723       4.24049664       2.49572372    
 H   -7.12562275       3.43923306       3.11225152    
 O   -5.47176743       8.79938889       1.62048793    
 H   -5.27527189       8.55066013       2.53560591    
 H   -6.43325329       8.78095531       1.53787506    
 O  -0.722797036       9.56282997       4.69989061    
 H   -1.63164234       9.87538719       4.76515055    
 H  -0.732391298       8.63493061       4.97620058    
 O   -4.30532837       4.45649385       1.82463562    
 H   -4.55439377       5.18921566       1.23987269    
 H   -3.53726912       4.04066563       1.41421127    
 O   -2.25396824       6.36588001     -0.492563248    
 H   -2.14291739       5.41637754     -0.367276371    
 H   -2.00527453       6.77505398      0.352520555    
 O   -2.97651792       10.0308352       1.78498316    
 H   -3.05228376       10.3099327       2.70613027    
 H   -3.85724688       9.72418022       1.53093290    
 O   -8.23213768       8.21686459       1.56000948    
 H   -8.11985493       7.36980391       1.09209073    
 H   -9.05627441       8.59062862       1.26098001    
 O    1.23074043       7.67880869       2.33750653    
 H    1.51760697       7.42869949       1.44897509    
 H    1.29255128       8.63717461       2.43521118    
 O    1.75761843       6.56824780     -0.152014181    
 H    2.51275301       6.48787308     -0.727465212    
 H    1.10000753       7.11227560     -0.624427021    
 O  -0.136643723       8.08754349      -1.27231681    
 H  -0.298726171       8.90766525     -0.782496452    
 H  -0.940870464       7.55727148      -1.21285570    
 O   -3.44918585       10.3776178       4.56565905    
 H   -3.89658761       11.0367002       5.09003258    
 H   -4.01446915       9.58598709       4.57074642    
 O   -4.95208168       6.53175879       8.63551497E-02
 H   -4.06707382       6.55551910     -0.300511241    
 H   -5.07503748       7.35569763      0.578199744    
 O   -4.93086958       8.09833336       4.29434872    
 H   -5.80949926       7.69460773       4.34455442    
 H   -4.28858614       7.38083458       4.19273043    
 O   0.971032441       10.3933144       2.78466058    
 H   0.358755141       10.1452532       3.50336909    
 H    1.51095176       11.1051912       3.11598611    
 O  -0.877165675       6.84653234       5.32964039    
 H  -0.183620945       6.28287029       4.96800041    
 H   -1.70064664       6.50045252       4.96189785    
 O   -3.09175920       6.13272476       3.73617363    
 H   -3.51873159       5.44220352       3.21727514    
 H   -2.52941704       6.62137651       3.11347914    
 O   -7.63841295       5.81444550      0.437191397    
 H   -7.52915192       5.19247866       1.16692269    
 H   -6.74369192       5.99215937      0.113073558    
 O   0.401436627       4.47454643       1.30803537    
 H   0.875532925       5.11770964      0.766738653    
 H   0.624462247       4.67334700       2.22513103    
 O  -0.570909977       10.3301373      0.342535734    
 H    1.29980603E-02   10.4500227       1.10057950    
 H   -1.46426308       10.3882093      0.705657780    
 O   -2.00181866       3.65146542      0.405537039    
 H   -1.13644969       3.89938283      0.778413594    
 H   -1.85812497       2.86608028     -0.116121307    
          69
 Energy    -248.52589554260257     
  O     15.34985709      9.49691226    -16.03677275
  H     16.00323994      9.66014152    -15.34582316
  H     18.78743077      6.74746436    -17.83212296
  O     13.79637685      3.46001845    -15.70671430
  H     14.57062153      9.13455495    -15.59921385
  H     17.17625209      6.55620597    -16.19170651
  O     18.17289052      5.38432279    -12.09506341
  H     14.70885463      3.22528967    -15.90781598
  H     16.55736159      6.53244618    -14.75857105
  O     19.43220816      5.21431713    -18.62293246
  H     13.67211875      4.34965310    -16.06905613
  H     12.21684147      8.69549254    -14.65312570
  O     17.02215499      4.05419062    -18.64471819
  H     17.58405905      6.09544507    -12.39279080
  H     13.26426615      7.80864600    -13.94447481
  O     14.37736402      6.92377294     -9.90074793
  H     18.99822174      5.50307817    -12.58042280
  H     14.53520821      3.13694137    -11.59647566
  O     14.25662985      4.16882852    -13.11238110
  H     19.94157638      5.01093952    -19.40173924
  H     14.49000252      1.95411787    -10.60541914
  O     16.47153587      7.27830704    -13.10250723
  H     18.57328879      4.76016597    -18.71790348
  H     14.80637109      6.17946112    -16.20246674
  O     16.76227739      3.40097118    -15.83610619
  H     16.33861895      4.72467672    -18.79916603
  H     13.44059668      6.86238912    -15.99170493
  O     19.38961052      8.32025416    -14.86396001
  H     16.83551068      3.64524072    -17.79306573
  H     20.07159840      5.23363806    -14.59529873
  O     19.55714408      4.25276174    -15.94134218
  H     15.10054627      6.27571507     -9.85030022
  H     21.26033337      5.63537322    -13.69327914
  O     18.39086989      7.43682744    -17.28440623
  H     14.27256270      7.27151997     -9.01973619
  H     16.50366398      2.69416747    -12.31768456
  O     16.52466056      6.11846017    -15.62993226
  H     13.90886429      3.88022355    -13.96898333
  H     17.43170567      3.86945595    -12.72882242
  O     13.07039380      8.28529748    -14.76933978
  H     15.20989636      4.01998985    -13.16720661
  H     17.09378362      5.13022924    -10.53037121
  O     15.05076830      2.65454904    -10.92911585
  H     15.53978646      7.22608247    -12.85576050
  H     15.95742954      4.16127996    -10.13306130
  O     13.87377842      6.14834748    -16.47011510
  H     16.69573520      8.20075220    -13.27791733
  H     15.54882656      7.01632367    -18.91990618
  O     20.33276270      5.79806200    -13.84579990
  H     16.66626113      4.36754312    -15.78420319
  H     14.55177348      6.09209473    -18.22074629
  O     16.90666682      3.13204861    -13.07500313
  H     16.83734117      3.09715841    -14.92091578
  H     13.84777332      5.89876251    -12.75007867
  O     16.35166917      5.01659825     -9.92352938
  H     19.14162911      8.06719359    -15.76545999
  H     13.86403786      6.94254083    -11.59124816
  O     15.19357498      6.12038136    -18.94263678
  H     19.74762988      7.52502725    -14.45416221
  H     17.60529969     10.57936180    -13.54732676
  O     13.77348259      6.84356990    -12.55109898
  H     19.65974110      4.55273945    -16.85288065
  H     18.11614874      9.31586929    -14.28551589
  O     17.31513002      9.77865628    -13.97509169
  H     18.69806259      3.81823580    -15.90657133
  H     16.16090548      9.50456353    -19.08237095
  O     16.25995954      8.76444825    -18.48956101
  H     17.74566695      7.91974733    -17.81730177
  H     15.88938961      9.04133976    -17.63204611
          69
 Energy    -248.52576395325337     
  O     12.70062323     14.35960269    -12.34112573
  H     12.89813510     14.37592868    -13.29342419
  H     13.52396457     10.03476775    -15.16059441
  O     15.01112589     11.27098191    -17.47730731
  H     11.97575642     14.96554003    -12.20707573
  H     12.08628699     12.49179731    -17.61268301
  O     15.38330292      8.68874860    -11.64854009
  H     15.85815422     11.61862443    -17.17766392
  H     13.50930990     12.10411159    -17.14579375
  O     17.47796488     14.97659773    -12.66981412
  H     14.93349284     10.38586231    -17.09384189
  H     17.89750224     11.92820112    -11.82714585
  O     14.66865731      8.90773819    -16.00627820
  H     15.30016246      7.74338879    -11.48052623
  H     18.28767596     13.27472144    -12.46983714
  O     14.98226451      5.90336399    -11.61512747
  H     14.48960756      9.02882380    -11.81045388
  H     13.43062870     12.18611009    -10.13036692
  O     15.97362206      5.95033817    -14.15179427
  H     16.68160148     14.92974235    -12.10864919
  H     12.66331255     12.72319705    -11.34475988
  O     15.24317335     11.93884195    -13.49810325
  H     17.90705120     15.80289878    -12.46461634
  H     13.07544470      6.62505296    -14.55671630
  O     12.81128455      9.61363842    -12.15831063
  H     14.21637608      8.05664922    -15.95338136
  H     12.84214567      5.87454014    -15.88931743
  O     16.69663504      8.68849593    -14.13120342
  H     15.41036116      8.86718204    -15.38494592
  H     15.60535250     12.12762311     -9.88992330
  O     18.68774976     10.71775834    -14.51298766
  H     15.39095310      5.81722608    -12.49526608
  H     15.40959866     12.48756956     -8.39722664
  O     12.97510063     10.67994623    -14.69115823
  H     15.22064839      5.12427623    -11.12101480
  H     16.65784591     13.64841515    -15.55938302
  O     12.66097661     12.48287693    -16.85227188
  H     15.18050232      5.99537344    -14.70075171
  H     16.66211168     14.53965328    -14.27626226
  O     18.56635076     12.35533238    -12.38207845
  H     16.38866258      6.82102809    -14.22050194
  H     16.14825242     10.25796279    -11.14281843
  O     12.71880156     11.96987108    -10.74297572
  H     15.45790223     12.72626889    -14.00840622
  H     15.93567878     11.54103160    -11.97298594
  O     13.45257602      6.45115677    -15.43835509
  H     14.43295763     11.58005925    -13.87634266
  H     14.30447010     14.52670019    -15.06260481
  O     15.10179758     12.69159026     -9.27588763
  H     12.75843297      9.96857905    -13.05740959
  H     13.03816036     13.87690346    -15.65598260
  O     16.11241955     14.21777056    -15.00318687
  H     12.70845788     10.37453637    -11.56838318
  H     12.52081594      7.81745232    -12.58649162
  O     16.35805331     11.19996420    -11.16354274
  H     16.27291773      8.78337201    -13.26597556
  H     13.28247657      6.49656818    -12.34650389
  O     13.34188865     14.48787048    -14.97438175
  H     17.34825674      9.39227585    -14.21611369
  H     15.22856874     14.18275051    -10.41804725
  O     12.60661686      6.90661179    -12.89970078
  H     19.55441074     10.31862069    -14.51266772
  H     14.39274661     14.70630902    -11.59660548
  O     15.25083328     14.79585300    -11.16295192
  H     18.65794483     11.31902419    -13.74651376
  H     18.21610677     12.42957925    -17.15983516
  O     17.53614688     12.28347065    -16.50558999
  H     12.68023403     11.31609817    -15.35202616
  H     17.92176186     11.70717673    -15.82719535
          69
 Energy    -248.52571692439267     
  O     14.45324269     11.81708283    -12.70854999
  H     14.95980841     11.57755758    -11.91431718
  H     15.28033630      6.94835704    -16.08388847
  O     16.34037101      9.59405125     -6.79568662
  H     14.57129710     12.75651946    -12.82806725
  H     11.16305532      9.70467554     -9.07105123
  O     17.40271237      6.41508208    -11.01942693
  H     15.52078900      9.75434611     -7.29276736
  H     11.74894778     10.53447836    -10.22481616
  O     14.49503633      4.02725736    -11.17347022
  H     16.22192304      9.99416067     -5.93776267
  H     15.89626623      9.31035028    -13.68830605
  O     19.21826144      7.73150446     -9.44900362
  H     16.75980823      6.14727569    -10.34833966
  H     14.99506482     10.45420897    -14.12531064
  O     17.25702207      6.95583037     -7.48499699
  H     17.10310330      6.02835125    -11.85636802
  H     17.57108451     10.12847330     -8.16605521
  O     15.78538371     10.93206392    -10.42154942
  H     14.63589996      3.09757887    -11.00967744
  H     18.51858369      9.50586121     -9.20463764
  O     10.20734913      7.16566903    -11.48992030
  H     14.85558097      4.49746147    -10.40436757
  H     16.11366870      5.93685437     -8.43826568
  O     14.13211960      9.86894897     -8.40542494
  H     20.12270116      7.46588707     -9.59540579
  H     14.68994183      6.13396450     -9.00530988
  O     13.69316322      7.95677593    -11.64868194
  H     18.67578638      7.23102414    -10.08175090
  H     11.64657375      9.94485617    -12.72238706
  O     12.40980952      5.60199494    -12.25431826
  H     16.91778023      7.79611944     -7.15315029
  H     12.87355316     10.87547400    -12.38149362
  O     14.86842244      7.09551239    -15.23532141
  H     18.02979242      7.18315119     -8.01615336
  H     13.02411788      6.93554570    -15.00149701
  O     11.62694873     10.52854103     -9.26512697
  H     16.65271137     10.88270621     -9.99073817
  H     12.11720063      6.21459686    -13.99559945
  O     15.39992360      9.64614917    -14.45220205
  H     15.14613491     10.61074870     -9.77136920
  H     11.14440312      8.17929983    -14.22015821
  O     18.02831442     10.31050165     -8.99739680
  H     10.20609585      7.77972560    -12.23202208
  H      9.90750440      9.08243885    -14.43293332
  O     15.49593507      5.60646780     -9.10752507
  H     10.85180634      6.48040595    -11.71566041
  H     10.37777235      7.62623533     -9.82490204
  O     12.20923323     10.28031196    -12.01149914
  H     13.97665112      8.92399062     -8.54001855
  H      9.82586299      7.58087720     -8.38110949
  O     12.09996764      6.82557568    -14.74476787
  H     13.27788683     10.28568950     -8.59025891
  H     15.44038510      4.90827043    -12.69543443
  O     10.60703224      8.88442325    -13.81612982
  H     14.60652499      8.16907048    -11.87368695
  H     15.62015866      5.93821403    -13.84514171
  O     10.57177585      7.86727590     -8.90109550
  H     13.16526357      8.75703236    -11.77163039
  H     13.44879166      7.50334270     -9.96499688
  O     16.09574042      5.41107758    -13.19286703
  H     12.88367714      6.43961325    -12.11852810
  H     12.37880322      7.37259772     -8.85262651
  O     13.32281704      7.27909356     -9.02869950
  H     12.97550470      4.92180592    -11.87466693
  H     16.26229630      9.46619275    -11.41249336
  O     16.33731099      8.75143343    -12.05799143
  H     15.01965352      8.03141560    -15.01624995
  H     16.79677312      8.00801519    -11.65118521
          69
 Energy    -248.52565346018807     
  O     17.50464032     10.25609529    -14.15843950
  H     17.85864093      9.52661565    -14.68187516
  H     14.94205063     10.04427947     -9.03051593
  O     14.62171567      5.63846059    -10.05277403
  H     16.61112797     10.45887171    -14.46804683
  H     15.96151388      6.68830218    -17.26301656
  O     18.54876795     12.10824986    -12.49914487
  H     15.33494711      6.07657465     -9.55188878
  H     15.40005422      5.27218560    -17.53747821
  O     12.96135399      7.87451585     -9.46706488
  H     14.59914160      4.73017493     -9.76502945
  H     14.93357617      6.34242781    -11.73032904
  O     14.89986099     10.87728963    -14.72025853
  H     19.09755878     12.76112484    -12.92904672
  H     15.66326345      7.62826096    -12.21186887
  O     18.51855408      8.08699803    -15.48727703
  H     18.27493158     11.47805881    -13.19006017
  H     17.52174311      8.23079135    -17.05898822
  O     20.77799455      8.06197622    -13.85059854
  H     13.57860490      8.36108702     -8.90632928
  H     16.26011098      8.91544966    -17.65514400
  O     16.93578047      6.04224898    -14.45979245
  H     13.39736320      7.03819443     -9.67150957
  H     14.20405151      9.34908125    -17.13746910
  O     12.19213347      9.61070954    -11.38712769
  H     14.38778661     10.14999928    -14.33846888
  H     14.30437136     10.48958630    -18.18064719
  O     15.63945045     12.53575894    -12.46143902
  H     14.83119148     10.78529091    -15.67940831
  H     15.89628699      9.73921745    -11.39748345
  O     14.63373548     10.83379276    -10.60381342
  H     17.99480921      7.36355984    -15.11051596
  H     16.88743433      9.52177491    -12.58913896
  O     15.01154557      9.47129648     -8.24864346
  H     19.37986510      8.07135602    -15.05034031
  H     19.64957101     10.55056244    -11.83173421
  O     15.46076718      5.95035139    -16.86960693
  H     20.59614874      8.70084790    -13.13868171
  H     19.68143365      9.14283295    -11.18117077
  O     15.15435809      6.85923844    -12.51417094
  H     21.72628288      8.00353259    -13.93066308
  H     18.76236142      7.08964369    -11.10900439
  O     16.82740998      8.13894225    -17.72623895
  H     16.43112255      5.85812246    -15.26169751
  H     17.81384828      8.29427160    -10.89580804
  O     14.73612901     10.11779431    -17.41590071
  H     16.28707315      6.26849911    -13.77759347
  H     12.90037302      9.00369159    -12.99584277
  O     16.51263125      9.11451509    -11.79781035
  H     12.38632564      8.93361282    -10.71327503
  H     14.00272356      7.97840161    -13.34665560
  O     20.15215333      9.73120281    -11.78780679
  H     11.30125937      9.91184488    -11.22944147
  H     19.76004890      6.60863252    -13.03769068
  O     18.54023498      7.79861347    -10.48644971
  H     15.37202761     12.12768440    -13.29546364
  H     18.41430024      5.87869604    -13.20445759
  O     13.45130180      8.68137250    -13.71923816
  H     16.60329473     12.51344155    -12.43162258
  H     16.10043874      7.90857095     -8.49115924
  O     19.11844699      6.05980536    -12.57038903
  H     13.77133067     10.53677150    -10.91968509
  H     17.30853063      7.25711877     -9.21008271
  O     16.49199946      7.06010407     -8.73107227
  H     14.93053575     11.55651449    -11.17749716
  H     13.31373181      8.12773677    -15.49523325
  O     13.43404413      7.95203543    -16.43840445
  H     15.05104523     10.04816850     -7.48977678
  H     14.00445468      7.17710341    -16.50867107
          69
 Energy    -248.52561200850994     
  O     -3.47135109      0.94532163      1.41922733
  H     -3.77207185      1.82034856      1.18854829
  H     -2.02643915     -5.71931077     -0.96473388
  O     -1.77758305     -2.39185379      7.91736487
  H     -2.73982200      0.73394679      0.81243835
  H      3.31652654     -2.13233371      2.10652217
  O      1.75256125      0.28104933      2.71005293
  H     -2.45054236     -1.85307114      7.46270704
  H      4.57211054     -1.76532054      2.93430177
  O     -3.18507301     -0.41659847      3.85368339
  H     -1.70158313     -2.05004420      8.80372204
  H     -0.59117746     -1.88633920      2.60270657
  O      2.30708118     -3.79475430      4.56860969
  H      2.44197069     -0.35681465      2.93115301
  H     -0.09184861     -3.09510326      1.72409276
  O     -3.03656267     -4.71928382      6.79384619
  H      0.98250806      0.03754907      3.24341751
  H     -2.00487644     -3.78640701      2.37384824
  O     -0.06575594     -2.89067986      5.77413535
  H     -3.28932216      0.15767467      3.08425214
  H     -2.50272340     -5.02013772      1.61437831
  O      1.25483806     -5.98492929      3.43996212
  H     -3.63211479     -1.24700979      3.63554677
  H     -3.96722847     -3.50180424      2.99268071
  O     -5.26485410     -3.44555470      5.90342341
  H      1.61505810     -3.36974833      5.09179381
  H     -4.91960329     -3.04492754      4.13027129
  O     -1.53725150      0.17732046     -0.33099893
  H      2.77650451     -3.09888506      4.09255083
  H      2.05594028     -1.77089255      0.27152886
  O      0.77663003     -4.61540488      1.01152103
  H     -2.57132293     -4.04087757      7.29925891
  H      2.01328031     -3.29692129      0.58026801
  O     -1.76017604     -5.19749684     -0.21248395
  H     -2.40238514     -5.05695744      6.14838868
  H     -1.38565433     -0.56989072      4.03241768
  O      3.62513846     -1.86355144      2.99108610
  H     -0.53596295     -2.68641949      6.59210924
  H     -0.28823574     -1.45823648      4.69831551
  O     -0.84247679     -2.52142674      1.92273456
  H     -0.48260891     -3.68242876      5.40573733
  H      1.79133188      0.61261741     -0.42375541
  O     -2.58402228     -4.56268388      2.45751140
  H      1.70860724     -5.22366263      3.84944990
  H      1.41676119      0.16560251      1.00826482
  O     -4.56467292     -2.79307675      3.26881053
  H      1.80528253     -6.74859315      3.59121260
  H     -1.82860689     -2.39440606      0.41170213
  O      2.58518282     -2.51832692      0.57636542
  H     -4.50992630     -3.97553286      6.21641234
  H     -3.28888227     -2.27334035     -0.09662608
  O     -0.44024318     -0.77349881      4.03237646
  H     -6.04534042     -3.80602222      6.31541323
  H     -3.53948873     -0.69596405      5.68344481
  O      1.26012902     -0.01332291      0.06330058
  H     -1.81608029     -0.70037646     -0.61847521
  H     -4.37356187     -1.79557672      6.36920900
  O     -2.39474157     -2.53642841     -0.36429468
  H     -0.58274721      0.12257486     -0.19675618
  H     -1.75143618     -5.09581908      3.96583465
  O     -3.72287025     -1.10321740      6.53997635
  H     -0.00942365     -4.93829872      0.55397025
  H     -0.36981957     -5.65088861      4.36606427
  O     -1.17476594     -5.25970777      4.72587210
  H      0.92332777     -5.17620408      1.78447565
  H     -4.85861174     -2.00229482      1.57441450
  O     -4.73460300     -1.56846009      0.71987363
  H     -2.01981145     -4.27868516     -0.40430217
  H     -4.46335231     -0.66486844      0.92261886
          69
 Energy    -248.52555593359824     
  O     10.01936111     10.27142691     -9.76722984
  H      9.22462357     10.14225912     -9.25722099
  H     16.54094867      9.53424690    -12.29565501
  O     14.54921835     10.79207808    -16.48926090
  H     10.74448879     10.42053109     -9.13316125
  H     14.72257042      8.45227279    -11.74121697
  O     11.62492479      8.41019736    -11.23180716
  H     14.07497515     11.53310973    -16.88626141
  H     14.24554124      8.83797859    -13.14192673
  O     13.19728425     13.38313201     -8.00107875
  H     13.95489035     10.03347994    -16.54834760
  H     11.69313080     13.77396218    -10.68151534
  O     12.93634233     13.07182685    -17.20001563
  H     10.95691153      8.94447323    -10.78528591
  H     12.74064169     14.87293950    -10.96179184
  O     12.44131888      9.25020113    -13.72848036
  H     12.41487925      8.47727851    -10.68175603
  H     14.93131249      9.33504349     -9.55813791
  O     13.79500256     11.50484790    -11.46309049
  H     12.82109784     13.82566582     -8.78467048
  H     13.93853142      9.97990800    -10.55432351
  O     12.21984988     10.69105370     -8.24453905
  H     13.01004874     13.94236036     -7.25228946
  H     18.34223549     12.41568521    -13.71314938
  O     16.16210268     14.32016716    -11.59836735
  H     13.02240563     13.79175019    -17.81998177
  H     17.51509345     11.56557503    -12.71684804
  O     11.07551957     12.25150944    -11.44618719
  H     12.99093382     13.46150865    -16.31204241
  H     10.92815143     11.53755011    -15.00545600
  O     13.15321211     13.80437779    -14.52926259
  H     12.08214499      8.87713230    -12.91035473
  H     11.82712736     12.54326796    -14.24173812
  O     17.25093407     10.07828957    -11.92357619
  H     12.08847703     10.14569040    -13.80726492
  H     14.85694564     12.24594731    -10.25276735
  O     15.02744040      8.56103289    -12.64792830
  H     14.15282774     11.52387957    -12.36058307
  H     14.76844314     12.91533587     -8.86467267
  O     12.21395909     14.47348951    -10.26057361
  H     12.87157121     11.78456894    -11.48230306
  H     15.85029758     12.03264515    -13.82241878
  O     14.05477904      9.22821195     -9.94682472
  H     12.91249897     10.17510763     -8.67388908
  H     14.87397813     11.34636462    -14.83895754
  O     17.54211604     12.41566157    -13.19531369
  H     12.56706671     11.58290308     -8.12167254
  H     11.37349996     10.23946719    -16.78433994
  O     11.22868637     11.79356630    -14.12234069
  H     16.02318041     13.82265183    -10.78243344
  H     11.51607194     11.74896930    -17.06729734
  O     15.39615850     12.57254287     -9.51273630
  H     16.70875960     13.75655126    -12.15966849
  H     16.26428201     11.05071709     -9.17613722
  O     14.92626822     11.81462833    -13.99220763
  H     10.60124566     11.58692988    -10.93210718
  H     17.18328419     10.10738153     -8.36159367
  O     10.89451413     11.07782977    -16.75788237
  H     10.92790172     12.07301010    -12.38588987
  H     13.99951495     16.44969542    -12.41520790
  O     16.60100197     10.13980187     -9.11602865
  H     13.27325086     14.48478790    -13.85758695
  H     14.69546633     15.10048122    -12.12759313
  O     13.84917968     15.50792397    -12.38622120
  H     13.83400651     13.13443398    -14.35190084
  H     12.54381914      7.83297817    -16.63091283
  O     12.55889335      8.75916334    -16.40536779
  H     17.15640600     10.02830940    -10.96674707
  H     12.50359865      8.81178976    -15.43497590
          69
 Energy    -248.52539419095504     
  O     13.76919494      5.62740902    -11.19229635
  H     14.18441854      5.10837598    -11.89199213
  H     13.90658904      6.68564077    -15.13364259
  O     17.51271354     10.04889577    -12.58394690
  H     14.47010145      5.92303012    -10.60003409
  H     17.42791028      6.75972904    -16.49362583
  O     17.02381586      9.63662524    -15.30296252
  H     17.52820114     10.00653107    -13.55105307
  H     16.18485268      6.57173075    -15.58922779
  O     16.44552168     12.55242881    -11.94433048
  H     17.24631075     10.94658704    -12.34531412
  H     15.81227143      7.53200514    -12.60944800
  O     15.84572151      6.65960175     -9.40958623
  H     17.09639177      8.67280267    -15.35475448
  H     16.00368840      9.05725344    -12.62312816
  O     14.24215755     10.13437036    -15.61036525
  H     16.08050958      9.84132297    -15.36635930
  H     14.82247419      8.27316524     -9.54315053
  O     14.22326801     12.08418959    -13.73340548
  H     16.83884950     13.39136788    -11.72028658
  H     14.66591666      8.82874811    -10.95522959
  O     14.75954381      6.79560573    -18.14984685
  H     15.83687879     12.32252284    -11.21871805
  H     14.90038777      3.38890385    -13.69913591
  O     11.55726737      6.88786888    -12.16356290
  H     16.18229026      6.23129332     -8.62684909
  H     14.70996649      4.82388628    -14.24183766
  O     17.06051845      6.09279361    -12.93624098
  H     16.61371331      7.05334591     -9.85998113
  H     12.63275561      9.24013859    -10.42310162
  O     13.15721758      8.01704310    -14.18112963
  H     13.74751066      9.42056758    -15.18649829
  H     11.56955204      8.58324164    -11.31397098
  O     14.42410570      5.98836412    -15.56123958
  H     14.20891388     10.89640656    -15.01125128
  H     17.93520483      8.56391891    -11.29283588
  O     17.11474354      6.84142651    -15.58456687
  H     13.49798273     12.05053063    -13.09630624
  H     17.83706754      7.05517122    -11.56071688
  O     15.32744047      8.36629317    -12.59742981
  H     15.01258224     12.30823312    -13.22790770
  H     17.58678484      7.89161451    -18.35205542
  O     14.42200117      8.99885563    -10.03293276
  H     14.55104989      7.73245377    -18.25652724
  H     18.30575375      6.67087971    -18.97652521
  O     14.93725938      4.30853844    -13.44871751
  H     15.70052604      6.71663584    -18.34848152
  H     13.79443051     10.18070561    -18.77143113
  O     11.78929563      9.40787646    -10.86695071
  H     10.82490252      6.28009656    -12.10741060
  H     14.30343634      9.87739461    -17.34374962
  O     17.93717053      7.70675216    -10.85073232
  H     12.32431421      6.43957437    -11.76375522
  H     14.61606279     10.85454921     -9.93877821
  O     17.63822195      6.91848110    -18.34321969
  H     17.28354610      6.34338445    -13.84447801
  H     13.75526225     11.96919280    -10.55797038
  O     14.41104505      9.64243235    -18.28203565
  H     16.45169933      5.34849847    -13.00734485
  H     17.35248731      9.78654728    -17.19924943
  O     14.60109576     11.80355672    -10.12252931
  H     13.91465763      8.19506854    -13.59778977
  H     16.31839275      9.71211607    -18.33175245
  O     17.25891155      9.59822847    -18.14229248
  H     12.45863506      7.67791393    -13.61048469
  H     11.99143482     11.03060072    -11.46089515
  O     12.22538506     11.94225307    -11.71087676
  H     14.42220304      6.16621378    -16.51365477
  H     11.43941058     12.46832598    -11.59033795
          69
 Ord_Energy   -248.525375    
 O   -5.41879034       5.37877846       3.59746814    
 H   -5.13385916       6.22711086       3.95534205    
 H   -4.69098425       5.04027653       3.05510259    
 O   0.800501645       3.60333323       10.6555290    
 H    9.99926776E-02   4.20709753       10.9298382    
 H    1.50206637       4.16442966       10.2999687    
 O  -0.410855860      0.200595245       6.65015316    
 H    8.49918276E-02 -0.596269071       6.82373190    
 H   -8.19669813E-02  0.870372117       7.27327967    
 O   -4.34160757       1.91743970       4.96355963    
 H   -4.07098293       1.36849165       5.71651554    
 H   -5.12455988       2.42578602       5.20601988    
 O   -2.73968101       4.07616329       5.83567762    
 H   -3.23891091       3.35903335       5.42289782    
 H   -3.38526511       4.70927668       6.17720890    
 O   -1.17029309       5.31524086       3.90825081    
 H  -0.289199442       4.92666006       3.91297102    
 H   -1.67225325       4.86408949       4.60618114    
 O   -3.23967743      0.580925763       7.07220078    
 H   -2.34615850      0.279197395       6.86850834    
 H   -3.10667562       1.31056845       7.69241762    
 O  -0.872951806       6.54610777       7.64514780    
 H   -1.63161433       6.16377878       8.10204220    
 H  -0.329872787       6.96633291       8.32833481    
 O   -1.91329074       7.61987448       5.26704931    
 H   -1.58828390       6.95029926       4.64961147    
 H   -1.52446604       7.38662577       6.12029219    
 O   -3.00486684       5.40985823       9.17001534    
 H   -3.73533964       5.62293053       8.57545662    
 H   -2.80316234       4.47321463       9.01303959    
 O   -4.77692366       5.66899490       7.02001858    
 H   -4.79345083       6.43737078       6.43219376    
 H   -5.41872358       5.03483868       6.67567730    
 O    1.24057806       3.90121007       4.26689386    
 H    1.96868801       3.80514002       3.65950370    
 H   0.725580513       3.07347226       4.22708893    
 O   -4.59198523       7.69140100       5.10049915    
 H   -4.90153790       8.58569431       4.98806810    
 H   -3.61852670       7.73314333       5.13262939    
 O  -0.266703218       1.68056786       4.21175957    
 H  -0.360391974       1.12164044       4.99203777    
 H   -1.08442700       1.60812569       3.70466185    
 O   -2.74092913       1.55728436       2.80296564    
 H   -3.38408852       1.62799537       3.53001952    
 H   -3.05693769      0.868218601       2.22356367    
 O   0.387569666       2.25735211       8.30898190    
 H   0.551803708       2.54135966       9.22062016    
 H   0.623622298       3.01465917       7.75419903    
 O    1.03320825       4.61726284       6.96368933    
 H   0.322994232       5.26539755       7.07762527    
 H    1.14674282       4.44541883       6.02118540    
 O   -2.31870794       2.92296028       8.31885338    
 H   -2.38431263       3.29114914       7.42353106    
 H   -1.39556301       2.66710591       8.43670940    
 O   -3.22149062       4.36327457       2.24785113    
 H   -3.04843855       3.41652179       2.28734326    
 H   -2.45998788       4.77965498       2.67426538    
 O   0.639394224       7.28640842       9.82467747    
 H    1.41201234       6.72221088       9.69425488    
 H    6.73210695E-02   6.80933189       10.4399242    
 O    2.57824302       5.28553343       9.16342926    
 H    2.13112354       5.05449152       8.33199215    
 H    3.51361489       5.30186415       8.97804737    
 O   -1.20453203       5.61139441       11.2608652    
 H   -1.90612411       5.59776449       10.5896025    
 H   -1.63652647       5.74999046       12.1005592    
 O   -6.35551548       3.80511475       5.54460669    
 H   -6.08047295       4.35334826       4.78358746    
 H   -7.30366087       3.71916127       5.49730730    
          69
 Energy    -248.52527423191594     
  O     16.84195534      9.95128429    -15.25252646
  H     17.63756814      9.42657322    -15.08000244
  H     12.15319389     11.65494057    -10.20154502
  O     14.72084072      7.66518555     -8.87084503
  H     16.24550290      9.41307059    -15.78840289
  H     16.28565682      4.96255380    -13.79554876
  O     17.16685412     12.61042073    -15.69207487
  H     14.78969683      7.29816415     -7.99439442
  H     17.20400217      3.75244813    -14.09053368
  O     12.61291370      8.19885207    -10.73182470
  H     14.90416750      8.61967995     -8.79519633
  H     15.86268257      8.13521982    -11.77165308
  O     19.01826028      8.38702698    -14.66080313
  H     17.15173787     12.78935892    -16.62829895
  H     15.65941718      7.36962891    -10.42480916
  O     20.66093707     10.34782591    -13.51178565
  H     17.03640005     11.65155461    -15.58354597
  H     17.28991654      5.88445793    -15.54117343
  O     18.43919725      6.72872437    -12.49705881
  H     13.24384010      7.88404904    -10.07381286
  H     18.06609940      7.18176837    -15.82562850
  O     12.37383032      7.07534507    -13.19745693
  H     12.58036089      9.15657054    -10.61974879
  H     17.50095939     13.91237247    -10.81500165
  O     15.35703231     13.15804143    -13.56081024
  H     19.67865834      9.02862746    -14.37089135
  H     17.41079115     12.40520013    -11.14793812
  O     13.16641262      9.21555931    -14.88313242
  H     18.82105865      7.82978088    -13.89309924
  H     15.91511619      7.54389764    -16.49848820
  O     13.47805136     11.23196284    -13.04749392
  H     20.14195369     11.17019585    -13.56372413
  H     14.97026976      8.10520136    -17.58221067
  O     12.83485643     11.03304760    -10.44238389
  H     21.57664276     10.59478568    -13.60960816
  H     16.17540096      9.76363771    -13.53814843
  O     17.17503886      4.70506838    -14.10199069
  H     18.20951954      5.93963939    -13.00190093
  H     14.93352336     10.15236077    -12.71327073
  O     16.04000049      7.30305101    -11.30761447
  H     17.64025235      6.93990708    -11.98915553
  H     18.56394954     12.68547531    -14.42774379
  O     17.36050778      6.61767301    -16.16611581
  H     12.45202070      7.46455137    -12.30820896
  H     18.64441369     12.89939316    -12.90853945
  O     17.40435875     13.29679527    -11.53696072
  H     11.50470664      6.68464786    -13.24408142
  H     16.79229246     10.39178156    -11.39008463
  O     15.20569922      8.19106251    -16.66176842
  H     15.90110797     13.08198059    -14.35379424
  H     18.15782795     10.17891951    -10.70038035
  O     15.77717826      9.68708589    -12.66268503
  H     15.98009376     13.27717288    -12.83361499
  H     15.21833716      6.13127517    -12.42002173
  O     19.15220887     12.59030141    -13.66861654
  H     13.81713003      8.84766333    -15.49057501
  H     13.96462527      5.99311656    -13.28713877
  O     17.35554573     10.71858533    -10.67191180
  H     12.86846314      8.47289712    -14.34074353
  H     19.30620683      8.21350119    -11.50077402
  O     14.82462794      5.59328378    -13.12261294
  H     13.30293216     10.63923398    -13.79350977
  H     19.99724918      9.52433550    -11.91293531
  O     19.53098470      9.09584893    -11.18400647
  H     14.06561798     11.95284935    -13.32185506
  H     15.96507831     10.52128325     -9.44342000
  O     15.16474137     10.32359213     -8.93886823
  H     13.01245360     11.16647934    -11.39044771
  H     14.41712337     10.68248029     -9.43391705
          69
 Energy    -248.52504764697036     
  O      1.53182651     -0.37378828      4.83196305
  H      0.75091538     -0.93492238      4.98850581
  H     -2.01994324      3.47675099      1.79045490
  O      1.36844886      0.05104021     -2.88949581
  H      2.16989542     -0.59499160      5.50565973
  H     -3.77493970     -1.44442564      5.37434724
  O     -0.67218051     -1.94421093      5.00831692
  H      1.33786534     -0.90125716     -2.73135004
  H     -3.58349978     -1.50100131      6.91029855
  O     -0.79433277      0.87915635     -1.17827632
  H      0.55966177      0.40733126     -2.50086563
  H     -0.04049667      2.78197473      3.07589285
  O      1.39056132     -2.66199413     -1.93514942
  H     -1.50774299     -1.72803395      5.44061711
  H      0.36880998      2.52568659      1.58977808
  O      3.14074275     -1.70883211     -0.09155159
  H     -0.88865420     -2.19247392      4.10258976
  H     -2.31753457      1.74949729     -1.06195815
  O     -4.34334687      2.96908138      3.89853277
  H     -0.97145997     -0.06654645     -1.04880851
  H     -3.48110064      2.50711275     -1.74187098
  O      0.24015262      2.20745105      4.75229542
  H     -0.08760281      1.11555510     -0.56306239
  H     -2.02612171      0.68755861      3.49358643
  O      3.39598417      0.89474271     -1.27998259
  H      1.70523119     -3.46693205     -2.33725884
  H     -1.26992570      1.29885861      2.30165966
  O     -5.68963277      0.61426651      3.00235424
  H      2.05192274     -2.40182415     -1.26934349
  H     -0.23572686     -2.21586896     -1.13752945
  O     -4.74703528     -1.76833131      4.01655915
  H      2.67999367     -1.54113002      0.74152187
  H     -1.00385532     -2.00676310      0.19180164
  O     -2.97167123      3.54173951      1.62294326
  H      3.40127774     -0.84464244     -0.43397146
  H      1.63977724     -0.76483847      3.02555658
  O     -3.18238490     -1.18663669      6.10492900
  H     -4.75442878      3.77271581      4.20619508
  H      0.68344455     -1.51907064      2.07250798
  O     -0.32369615      2.89210984      2.15441243
  H     -3.87441900      3.19543096      3.07500935
  H     -3.15488013      1.89888010      4.85456180
  O     -3.19445111      2.14281159     -0.90855601
  H      0.74730672      1.38887816      4.80414487
  H     -2.77560096      0.55937108      5.58847493
  O     -1.78055572      0.52642635      2.57309693
  H     -0.65278242      1.98046597      5.04716797
  H      2.11551375      1.33504586      0.00364032
  O     -1.02399743     -1.81147805     -0.75036252
  H      4.07288738      1.38774353     -1.73492014
  H      1.39355986      0.54769597      1.12800087
  O      1.50382919     -1.01185387      2.10107446
  H      2.73145441      0.64212801     -1.94625203
  H     -2.00036960     -2.46075925      1.96860933
  O     -2.42125114      1.34479031      5.15361532
  H     -5.23546859      0.48583034      2.15910345
  H     -1.30386233     -1.12333314      2.30961200
  O      1.34680088      1.34800632      0.58636428
  H     -5.34548486      1.44443816      3.35278833
  H     -3.88124272     -1.70156846      1.11054990
  O     -1.13592093     -2.06952424      2.15104859
  H     -4.49032726     -2.21807776      3.20569735
  H     -4.08643936     -3.18330238      0.72652629
  O     -3.77941604     -2.61545167      1.42893430
  H     -5.18331370     -0.94743952      3.73951835
  H     -3.83014120      0.71753537      0.14226969
  O     -3.91484281      0.07958460      0.85933374
  H     -3.11322461      3.15986665      0.75007467
  H     -3.20491275      0.29406967      1.48483497
          69
 Energy    -248.52504154224238     
  O     16.67747201      9.54366223    -12.09825736
  H     16.78896476     10.48170189    -11.89628392
  H     17.25038322      4.02605363    -12.69610658
  O     17.00445549     12.15042037    -11.18513526
  H     17.54341837      9.11188115    -12.06431923
  H     14.96267301      5.70977226    -10.12979502
  O     13.02481924      7.15449339     -8.20279423
  H     17.75706140     11.96559486    -10.59297001
  H     15.69511674      6.90675911     -9.46211778
  O     14.65424991      7.93255442    -13.04672286
  H     17.17013193     12.99736300    -11.59035702
  H     18.77018591      7.06473176    -13.32422395
  O     18.95889284      8.04695450    -11.72605912
  H     13.81651434      6.71765648     -8.53928280
  H     18.53723020      5.55767875    -13.52138831
  O     20.64767728      9.25724407     -9.81275305
  H     13.15004702      8.10439724     -8.35843462
  H     17.55154078     11.57363702     -6.17152614
  O     18.17773550      5.78097956    -10.22966234
  H     15.01388594      7.49583190    -13.82871614
  H     17.37715309     10.25184673     -6.95288362
  O     11.48814826      6.53605592    -10.41858132
  H     15.34085699      8.54338206    -12.74111759
  H     16.04674862      6.54859124    -16.00676603
  O     15.25915757     11.87730997     -8.87785749
  H     19.61809792      8.51135071    -11.19705742
  H     16.91948595      6.52381961    -14.72899402
  O     12.52005751      9.03369549    -11.50149325
  H     18.65649581      7.29710052    -11.19286177
  H     16.28543851      8.94790916    -10.43526673
  O     13.53972394      9.74332031     -9.04282382
  H     21.59853700      9.25896865     -9.74205716
  H     15.15296103      9.04355908     -9.37628834
  O     18.18125396      4.02032391    -12.40783073
  H     20.31969652      8.57272817     -9.20113131
  H     19.56048812     10.76568878     -9.53980474
  O     15.48782679      5.96204338     -9.35730090
  H     18.25989255      5.10478127    -10.91497573
  H     18.53789812     11.41949062     -8.57002467
  O     18.49869958      6.40756634    -13.97759667
  H     17.27263613      5.72643236     -9.89903972
  H     14.48642514      6.74776142     -6.58639390
  O     17.43252109     11.21728510     -7.04845760
  H     10.60001400      6.24086297    -10.23542072
  H     15.57715875      6.02418004     -7.36919213
  O     16.00277133      6.48599765    -15.05645960
  H     11.90251544      6.72826983     -9.56070233
  H     13.00595975      5.82525062    -11.28777381
  O     15.99621877      8.61398982     -9.57909995
  H     15.93302883     11.72046381     -8.20570571
  H     14.17307820      6.48098694    -12.07195442
  O     18.94488854     11.50176814     -9.44174845
  H     15.74196590     12.03470690     -9.69775548
  H     18.81605289      7.69264024     -7.75158081
  O     15.40706788      6.47394296     -6.53078521
  H     13.17639105      8.74700451    -12.14928863
  H     19.15762859      6.66673737     -8.85666106
  O     13.90764550      5.67822066    -11.59636955
  H     12.03023324      8.24003812    -11.25561457
  H     16.65998787      7.83610194     -6.71346523
  O     19.54421734      7.33523562     -8.27649088
  H     13.98386823     10.59981114     -8.96359730
  H     16.87641699      8.59482290     -8.03863664
  O     17.22832153      8.49085481     -7.13968175
  H     13.15173276      9.66567758     -9.92849470
  H     14.95382936      4.57800909    -12.68467900
  O     15.63221816      4.25734912    -13.29334825
  H     18.50910319      3.13636776    -12.54926800
  H     15.67371202      4.91202794    -14.00188613
          69
 Energy    -248.52490049316685     
  O     19.04248601      9.39662635    -10.12728063
  H     19.51705834      8.57162781     -9.96588692
  H     15.84102447     11.55349675    -11.16211657
  O     12.96712294      6.51129331    -10.35587885
  H     18.11810682      9.23526448     -9.88474030
  H     12.30529957     11.50035597     -9.59789669
  O     19.45049367     11.53383472     -8.40772588
  H     12.64187472      5.62742572    -10.50438164
  H     13.75420672     11.08689787     -9.94309839
  O     12.77571333      8.89485381    -11.94531129
  H     13.90974863      6.51046388    -10.59709393
  H     18.57758693      4.07094389    -12.86572821
  O     18.47913068      9.31922091    -12.82401009
  H     19.59657885     11.05584863     -7.58160636
  H     18.23309212      4.98947017    -11.67530841
  O     20.16624353      6.86048505     -9.84332470
  H     19.42420881     10.85250595     -9.09485256
  H     15.83023173      7.59806542    -10.52824539
  O     19.66565814      7.41015763     -7.12352978
  H     12.70995482      9.56629145    -11.25575911
  H     15.90171205      6.90841265    -11.91669281
  O     17.72873355      5.39059396     -9.93320264
  H     12.71081495      8.05033399    -11.48490029
  H     19.80579833      6.35850850    -12.75848210
  O     14.89145409      9.33715064    -13.67583928
  H     18.74528833      9.37900600    -11.89392551
  H     19.89859071      7.89103924    -12.86749826
  O     17.00651549     12.65150987     -8.30387579
  H     17.90488649     10.07961288    -12.96779953
  H     17.66097211     10.30588042     -6.16913360
  O     16.44910161     11.37388149    -12.90607295
  H     19.35395318      6.33631947     -9.86474951
  H     16.70255034     11.22901144     -6.94179125
  O     15.44882593     11.49699483    -10.28063605
  H     20.45752809      6.93423585    -10.76375470
  H     15.98969037      9.82248996     -9.81135249
  O     12.86440525     10.74390764     -9.75739643
  H     18.87223128      6.86582393     -7.05823735
  H     16.14631338      8.73261549     -8.69390134
  O     18.42750179      4.98253960    -12.62578080
  H     20.04111032      7.22175837     -7.99310964
  H     19.58854118      9.01315679     -6.45051582
  O     15.60099671      6.78586954    -11.00675356
  H     16.95235944      5.83888313    -10.30158851
  H     20.06788425      9.93985216     -5.31159374
  O     20.39259837      7.10790852    -12.59773771
  H     17.59843994      5.40482529     -8.97685977
  H     13.00408361      7.67446882     -8.84935700
  O     16.72485688     10.48220330     -6.33454001
  H     15.37918309      8.51301285    -13.77786213
  H     13.01280390      9.19787241     -8.63655754
  O     16.38742281      8.96914222     -9.59876912
  H     14.11621390      9.14906825    -13.12576964
  H     17.39816964      7.91651052    -13.26769570
  O     19.50275814      9.90894334     -6.07894293
  H     17.07218575     13.54417409     -7.97506828
  H     17.31228632      6.37539514    -13.38779149
  O     13.17007070      8.35810190     -8.18819185
  H     17.91760313     12.31247317     -8.37697560
  H     16.63272159      6.65079292     -7.12179658
  O     16.79249233      7.18391633    -13.46228465
  H     16.44764732     12.05664483    -13.57201600
  H     16.99726590      5.29333851     -6.48040343
  O     17.23380805      5.88782224     -7.18823867
  H     15.84179417     10.67556507    -13.21774226
  H     15.93460428      8.93113029     -6.67936049
  O     15.63896048      8.09044339     -7.06130644
  H     16.00026183     11.98388782     -9.65206501
  H     14.71226827      8.17242614     -7.33456345
          69
 Energy    -248.52469647713369     
  O     17.37403182      9.83652062    -10.65897726
  H     16.72165881      9.26166917    -10.22671896
  H     12.45824015      7.67108764     -9.87847356
  O     13.82569239      5.52334939     -7.95467135
  H     17.36825936     10.66437494    -10.16429994
  H     12.73555935      9.36105468     -8.24484336
  O     17.17169508     12.00991723     -8.87396868
  H     13.08167160      5.56112716     -8.56793831
  H     13.17881384      8.89788016     -6.84312345
  O     11.93762724      5.87489610    -10.03534102
  H     14.60128710      5.39428281     -8.51656215
  H     18.70690841      4.48282475    -10.89553088
  O     15.95375647      9.32184902    -13.02351858
  H     17.17938062     12.96185602     -8.92177268
  H     19.03156705      3.21170890    -11.71185213
  O     19.47596391      8.01929415    -10.51473304
  H     16.40378505     11.76291262     -8.32623821
  H     16.87405920      5.47850695     -9.60131026
  O     20.63849985      8.60032612     -8.01824200
  H     12.44365731      5.78162960    -10.86268609
  H     15.85902527      5.42621983    -10.76779145
  O     18.67344462      5.55988076     -9.47308734
  H     11.07202488      5.51092449    -10.19999245
  H     19.65791697      7.13030753    -12.12897630
  O     13.37462137      5.90441560    -12.33580931
  H     16.49837674      9.60135880    -12.27655646
  H     19.39970228      5.67876270    -12.60183867
  O     15.24736529     11.08274329     -7.22278605
  H     16.45027748      8.63543176    -13.48586444
  H     18.15377694      7.01950476    -13.83683782
  O     13.35216863      8.74443037    -12.68731757
  H     19.99177100      8.24402774     -9.72977415
  H     17.43589426      7.10810954    -15.20485370
  O     12.84902944      8.55336274     -9.92750036
  H     18.78815622      8.69412427    -10.60474283
  H     15.70189360      7.28773791     -9.56263852
  O     12.88051872      9.66892876     -7.34039098
  H     21.49218452      8.84341340     -7.67070369
  H     14.64446294      8.41837017     -9.48938299
  O     18.64470496      4.08101222    -11.77911345
  H     20.00617950      9.27822313     -7.71645965
  H     17.97872562      9.66774663     -6.92095860
  O     15.93214445      5.53539763     -9.81152507
  H     18.91686132      6.39507866     -9.89879910
  H     18.28034950     10.93853984     -7.74262672
  O     19.55262861      6.57773729    -12.91639818
  H     18.72613127      5.73180144     -8.52227688
  H     13.97472540      6.68176507     -6.66133123
  O     17.29144606      7.16933646    -14.26414281
  H     14.25424596      5.55744004    -12.52378092
  H     13.71191251      7.00160547     -5.17182823
  O     15.58441413      8.22955259     -9.37917324
  H     13.39499060      6.84541841    -12.55444252
  H     18.00376492      7.17687793     -6.79861578
  O     18.69141165     10.25996573     -7.19400736
  H     15.71179556     10.33483002     -6.83427654
  H     19.48933378      7.25318814     -7.20090974
  O     14.07014659      7.36767285     -5.97620827
  H     14.33406536     10.77322492     -7.30604052
  H     16.25085467      8.43898119     -7.71814333
  O     18.78306026      6.63555764     -6.97098247
  H     12.85753468      9.22757096    -13.34385803
  H     15.76625775      8.08337445     -6.30612168
  O     16.51355297      8.46572977     -6.78412470
  H     14.28741576      8.98986397    -12.80582492
  H     16.90967354      4.66079773    -12.40676115
  O     16.12697597      5.19167943    -12.60147131
  H     12.96395316      8.74503441    -10.86729050
  H     16.43123381      5.89323076    -13.19254532
          69
 Ord_Energy   -248.524597    
 O    6.32340717      -1.77626312       6.95138550    
 H    7.14042902      -2.29126501       7.02409267    
 H    6.59801579     -0.850023210       6.88886595    
 O    1.05102217      -1.16473436       4.69589996    
 H    1.75788093      -1.58509851       4.19113588    
 H   0.922947168     -0.308911294       4.26510620    
 O    3.75169206      0.654874802       4.95385790    
 H    4.58322716       1.13504350       5.01077938    
 H    3.37320805      0.533540428       5.83370018    
 O    2.09100389     -0.124854259       7.06716394    
 H    1.67517245     -0.624219894       6.34830236    
 H    2.66057420     -0.712230742       7.57696867    
 O    1.15782142       2.43404484       7.58412743    
 H    1.96874237       2.88321900       7.85239172    
 H    1.39623356       1.50185847       7.47662830    
 O    6.26308298       1.86308551       4.53247738    
 H    5.89707184       2.62827492       4.07196331    
 H    6.45940065       1.18639088       3.86776328    
 O    1.44073331       1.48583329       3.62116241    
 H    2.26182461       1.28461838       4.09719563    
 H    1.01611102       2.20645809       4.10287762    
 O    9.83486938     -0.241999805       6.15758228    
 H    10.7257452       8.65714774E-02   6.24490213    
 H    9.70016861     -0.442077368       5.21372604    
 O    8.44019032      -3.66043735       4.01478720    
 H    7.51477337      -3.36238027       4.05185747    
 H    8.44191933      -4.49548435       3.55432487    
 O    5.95685244      -2.53509760       4.30180407    
 H    5.05503893      -2.39337134       3.98280573    
 H    5.98185730      -2.28214741       5.23538065    
 O    9.32448578     -0.977812111       3.59484577    
 H    9.16981506      -1.93058181       3.63048553    
 H    8.53769398     -0.603382826       3.17802572    
 O    3.55862236      -1.59819186       3.35690594    
 H    3.76086187      -1.27685773       2.47019863    
 H    3.63041139     -0.821911633       3.93706083    
 O    8.82164478      -2.88344479       6.76151419    
 H    9.28226089      -2.03960395       6.66821289    
 H    8.81856060      -3.27796364       5.88031244    
 O    3.70025897       3.65077519       8.00317192    
 H    4.20530415       2.83264065       8.15488052    
 H    3.94326925       4.25250959       8.70214653    
 O   0.479391098       3.57385111       5.24146700    
 H  -0.346125215       4.04629040       5.29823017    
 H   0.626660109       3.15556312       6.11003399    
 O    7.31205797      0.815837562       6.82478714    
 H    8.22870064      0.553124368       6.67640400    
 H    7.00950861       1.27801335       6.02806759    
 O    6.71626616     -0.257242054       2.79696488    
 H    6.06539202     -0.225473225       2.08458161    
 H    6.48281288      -1.02537715       3.33749652    
 O    3.36724877       2.06691051       1.67394364    
 H    3.88660216       2.73104692       2.14225817    
 H    2.57871580       1.91265404       2.21243620    
 O    4.89301729       3.92863679       3.23978686    
 H    4.28059483       4.12074280       3.97415566    
 H    5.18713617       4.76959419       2.90017462    
 O    3.22147727       4.36338139       5.29343033    
 H    2.27577710       4.19368744       5.20671606    
 H    3.44917369       4.15137196       6.20730305    
 O    4.12528181      -1.40190017       8.52661705    
 H    4.14385366      -1.96923780       9.29332447    
 H    4.88704395      -1.65045834       7.97647429    
 O    4.53309441     -0.268631339       1.01873171    
 H    4.10997868      0.589412332       1.20612085    
 H    4.42481279     -0.429640263       8.56365785E-02
 O    5.07220173       1.35768521       8.40592480    
 H    5.92525482       1.22948194       7.96951151    
 H    4.71138382      0.480405897       8.57015133    
          69
 Energy    -248.52457249655004     
  O     -1.07275399      3.81532074      2.50558181
  H     -0.57877511      2.98705484      2.41520462
  H     -0.48144913      8.36885395      0.27104027
  O     -2.79734625      5.93030202     -0.61588063
  H     -1.89682005      3.70102328      2.01396028
  H     -0.27679231      1.35549505      0.98355857
  O      4.56873780      6.40364870      0.55061763
  H     -2.59338270      6.58788369      0.06017568
  H      1.11870850      1.87054741      1.37856401
  O      2.16721034      7.42765634      1.55998435
  H     -1.98304279      5.79834575     -1.12372684
  H     -0.23223173      3.77317020     -2.34067352
  O     -0.35770099      5.44628262     -1.79654126
  H      5.42527220      6.77199562      0.35295837
  H     -0.50142059      2.34147597     -1.79076823
  O      2.43051576      2.95490567      0.55511127
  H      4.17387419      6.13855994     -0.30004591
  H      0.92810727      8.01700182     -1.69208378
  O      0.67984772      5.10418092      0.69425736
  H      3.03328168      7.17660458      1.21177219
  H      1.25362415      8.26240612     -3.18654301
  O     -1.93284344      7.74429320      1.38174074
  H      2.15910426      7.17649389      2.49212146
  H     -4.40328278      1.16535214     -1.48003257
  O     -1.50339030      1.55203009     -0.47406228
  H      0.02861124      5.32472188     -0.91303948
  H     -4.20626677     -0.23688335     -2.09881853
  O     -0.70535242      6.37506756      3.41240329
  H      0.12020419      6.17567204     -2.20791458
  H     -4.01765201      5.11373107     -1.84860210
  O     -3.15169321      3.51073320      0.69530962
  H      2.65321257      2.83424862     -0.37372343
  H     -3.89672899      3.97144422     -2.89505601
  O      0.35418506      8.58084265     -0.15925647
  H      1.83583365      3.72152499      0.57719574
  H     -3.07852192      1.90410313     -3.19956520
  O      0.28561048      1.54641543      1.74556440
  H      1.11708504      5.89282826      1.03539964
  H     -1.82134979      2.74853554     -3.44033268
  O     -0.09275717      2.82956291     -2.51988701
  H      0.07118468      4.77115404      1.36704466
  H      3.08404255      2.47751615     -2.93399085
  O      1.25105004      7.59254463     -2.50855551
  H     -2.48667438      8.40807782      1.78628801
  H      1.68313013      2.89684535     -2.43857097
  O     -3.75282666      0.57806979     -1.89794014
  H     -1.48343648      7.28330386      2.11141741
  H      2.46882866      6.22601156      4.92070538
  O     -4.52644466      4.45993532     -2.34306781
  H     -2.16601309      1.02657836     -0.93776715
  H      2.64224683      5.49008222      3.57446614
  O     -2.76677013      2.71095736     -3.62609959
  H     -1.99668129      2.26852303     -0.04925491
  H      4.13394637      5.12497877      1.91184276
  O      2.63570820      3.02759081     -2.29639989
  H     -0.93748123      5.44475438      3.27124524
  H      3.34027146      3.81917605      1.96851967
  O      2.10346760      6.15274165      4.04301426
  H      0.20555585      6.36094634      3.72572252
  H     -6.33695668      2.59702095     -0.52367732
  O      3.69132423      4.52550231      2.52605033
  H     -3.05262049      4.36263156      0.24436096
  H     -5.18432695      3.23134737     -1.34529008
  O     -5.41424408      2.49949906     -0.74082818
  H     -3.98514372      3.13500594      0.39273656
  H      2.65782938      6.36440059     -2.08295177
  O      3.34273034      5.76464782     -1.76414414
  H      1.03863980      8.32192389      0.47570502
  H      3.07813212      4.86895678     -2.00452437
          69
 Energy    -248.52455170603665     
  O     18.25217366      9.59492662    -15.22730811
  H     18.80684303      8.80692186    -15.15292795
  H     19.99855509      3.77574060    -12.56891446
  O     21.68097251      7.36611180    -12.49980262
  H     18.57719564     10.19073126    -14.54270940
  H     16.41869511      9.44488312    -14.92599839
  O     15.63764236      8.74765954     -9.58469093
  H     21.20112239      8.00321665    -11.94071651
  H     15.93961184      9.43358465    -13.47840257
  O     13.27308110     10.48461129    -13.44388774
  H     22.60296585      7.60702891    -12.45914753
  H     18.56701031      7.11792045    -13.25450599
  O     12.04212085      7.90215418    -13.29953970
  H     14.89102380      9.34177298     -9.75514593
  H     17.31307769      6.24054235    -13.05572325
  O     18.53556982      6.08206212    -10.07875705
  H     15.36640647      7.89122828     -9.94632970
  H     15.16955227      6.10405759    -14.03173167
  O     14.53157518      6.54523903    -10.91928187
  H     13.00350667     11.27438606    -13.90683969
  H     14.97796300      7.64713218    -14.07299587
  O     20.73780215      4.89118770    -11.37298819
  H     14.07551977     10.16476498    -13.88822358
  H     18.47875936      8.91446201     -7.98924260
  O     16.29335147      4.43297514    -10.33089526
  H     12.81731127      7.38613107    -13.56248805
  H     17.37300475      8.73029213     -9.04882359
  O     16.81902619      2.80001494    -12.39834814
  H     12.30051701      8.82445567    -13.42098901
  H     19.32511681      4.17583820    -14.68939310
  O     19.79585409      7.30842804    -14.57842466
  H     18.53799544      6.88076404     -9.54079091
  H     19.35559078      4.24859800    -16.23849498
  O     19.52275152      3.28289230    -13.25473739
  H     18.33495673      6.36821573    -10.98420536
  H     13.39074090     10.28327016    -11.47983706
  O     15.61570239      9.37988279    -14.39185556
  H     14.60696478      6.64953249    -11.87784948
  H     12.81440120      9.27759195    -10.47247020
  O     17.85085404      6.92181667    -12.63548019
  H     13.61937065      6.77048359    -10.69595365
  H     19.89394352      9.87207390    -11.61927087
  O     14.59700554      6.82467030    -13.73740511
  H     20.05581706      5.21583223    -10.77042341
  H     19.62030158      9.04555015    -10.34114510
  O     18.32893000      8.65388046     -8.89527779
  H     21.14543371      5.68038243    -11.74811776
  H     18.70841285     11.94772050    -12.59248618
  O     19.10393260      4.73512650    -15.45859870
  H     17.09101895      4.92229601    -10.08814432
  H     18.11024338     10.52982261    -12.43660396
  O     13.41131525     10.03363355    -10.54884993
  H     15.60569937      5.09709734    -10.46955218
  H     17.33223678      4.88303633    -14.76216537
  O     20.25124863      9.17230388    -11.05803399
  H     16.41319972      1.94757045    -12.26815714
  H     16.57158837      4.14553260    -13.62834399
  O     18.89061276     11.02354731    -12.74525824
  H     16.62069689      3.33030272    -11.60506082
  H     11.06972652      7.28186680    -10.29522453
  O     16.55841967      4.93468265    -14.18767715
  H     19.67150387      6.42549879    -14.95222835
  H     11.84498447      7.64982975    -11.58510667
  O     11.91837810      7.57338715    -10.61614723
  H     20.55557372      7.28445486    -13.98136424
  H     16.38950348      9.28072547    -11.14187609
  O     16.85796300      9.38140662    -11.97690762
  H     18.68049343      3.01214099    -12.87265011
  H     17.22872795      8.51232511    -12.20003834
          69
 Energy    -248.52449920163798     
  O     11.69335000      9.98089808    -13.99272197
  H     12.11094325      9.81980192    -14.85156171
  H     16.76042726      7.51100002    -16.19254437
  O     17.03938925      7.56907393    -14.34620238
  H     12.09693651     10.78675606    -13.65431894
  H     18.67540181     11.89231467    -13.63143096
  O     17.05122240     10.49371825    -10.80856517
  H     16.51760495      6.99353521    -13.76965298
  H     18.49212972     11.49984811    -15.10563756
  O     15.67563055     12.44814863    -14.17499539
  H     17.70862640      7.99787835    -13.79603173
  H     15.91033453      8.97868162    -14.28850598
  O     13.69294416      6.73196228    -16.94673095
  H     17.23486134      9.97571714    -10.01468769
  H     15.57260029     10.51863057    -14.25674888
  O     15.64188689      6.85227163     -9.06326062
  H     16.10881891     10.39677845    -11.00782542
  H     11.58341891      8.43918358    -13.17548922
  O     15.44700906      6.09864722    -12.59785185
  H     16.15267744     12.49082322    -15.01509659
  H     10.62750670      7.34825316    -12.64287421
  O     14.42404114     10.21031251    -11.60521864
  H     16.32066708     12.63579058    -13.47993506
  H     18.63919570      7.71741097     -9.91931476
  O     17.25516658     12.17718032    -16.44053991
  H     13.54390949      6.39384514    -16.04553989
  H     19.03562021      7.74533131    -11.40794367
  O     17.21649298      5.08398653    -10.68351877
  H     13.27175203      6.11928612    -17.54333221
  H     12.64181652      6.45972358    -13.87932232
  O     15.74049973     10.25237189    -17.49998993
  H     14.87197967      7.07089094     -9.60481821
  H     14.05953336      5.85376959    -13.82876382
  O     16.43226469      7.61357816    -17.09598398
  H     16.09578674      6.13122352     -9.51733355
  H     17.49633756     11.99943981    -11.62683576
  O     18.98250174     11.27478174    -14.30623433
  H     16.04292703      5.62231492    -12.00667403
  H     18.01588412     13.45598542    -11.65674479
  O     15.21620551      9.63139103    -14.12817323
  H     14.88504707      6.65056703    -12.03637686
  H     18.07954808      9.51463522    -12.05273135
  O     11.55026131      7.56010254    -12.75825760
  H     13.87712393     10.98163575    -11.78680766
  H     18.92896528      9.75421002    -13.31920742
  O     18.96069383      7.16288281    -10.64034705
  H     14.67016983      9.87107072    -12.48337676
  H     16.81572667      8.09486878     -8.76466784
  O     13.28199796      5.95320408    -14.39309265
  H     16.73551557     11.47310919    -16.87158193
  H     17.73480549      8.83645668     -7.76432913
  O     17.66012557     12.76277925    -12.20659136
  H     17.59272011     12.73164063    -17.13836734
  H     13.94201109      8.56069177    -11.06227120
  O     18.66636258      9.07434202    -12.68165946
  H     17.90492329      5.77297883    -10.70893655
  H     12.90223864      7.50418820    -11.47399355
  O     17.53304678      8.75070192     -8.69207411
  H     17.66146956      4.25286668    -10.54345596
  H     12.75249332     13.18096085    -12.96084369
  O     13.71993534      7.62273807    -10.97436980
  H     14.82119560     10.16275878    -17.22735219
  H     13.98321932     12.41509705    -13.48982422
  O     13.14951292     12.31441991    -13.00111233
  H     16.10275495      9.35425781    -17.45444702
  H     13.35484838      8.52457241    -16.52970927
  O     13.32749903      9.42185204    -16.17246935
  H     15.55294665      7.21556278    -17.10307846
  H     13.98005186      9.44340306    -15.45444974
          69
 Energy    -248.52442462751071     
  O     11.10726866      6.29138205    -15.41944339
  H     12.01694545      6.53881509    -15.64998683
  H     16.55130106      9.87558858    -15.32374461
  O     17.20620900      6.50459933    -11.84072243
  H     10.54423623      6.78971572    -16.00653271
  H     16.41381701      9.56829226    -11.78053432
  O     16.89817971     11.06025484    -10.75358981
  H     18.01662529      6.67256046    -11.34553270
  H     16.48143643      9.42225006    -13.31398091
  O     15.05977398      4.54903934    -15.05472228
  H     16.86388620      7.38029228    -12.08877852
  H     11.04228356      5.64216495    -13.78477838
  O     13.39814784      9.48056056     -9.91860623
  H     16.02245992     11.46348008    -10.82641471
  H     10.28667876      4.78317496    -12.74372827
  O     14.77615764      5.95974012    -10.61212575
  H     17.45479239     11.41733580    -11.45773181
  H     18.18155163      8.45644554     -9.48894113
  O     14.11680389     11.26789550    -13.84547705
  H     14.62573809      4.42342488    -14.19191051
  H     17.33346470      9.75009362     -9.53798374
  O     17.39237644      6.04593101    -14.56351440
  H     14.97759137      3.72439749    -15.52670767
  H     14.12288503      4.73820651    -11.90337127
  O     15.11457299      7.73164588     -8.44281686
  H     13.97801095      8.97107428     -9.33976213
  H     12.83385283      4.55934352    -12.73661936
  O     19.40140216      7.91627384    -15.08617334
  H     12.88008715      8.82317132    -10.40002818
  H     18.88768194     12.49208823    -13.36660997
  O     19.83117562      9.19103349    -12.64028829
  H     15.63444472      6.05698267    -11.04962303
  H     17.85748130     11.39209709    -13.71680284
  O     16.64268238     10.63606602    -14.73170383
  H     14.85406159      6.45082773     -9.78410550
  H     20.31035627      7.22825908    -10.24772078
  O     16.24930595      8.95115274    -12.50344076
  H     14.12456837     11.55071225    -12.92288474
  H     19.63291583      8.16056569    -11.28006823
  O     11.07751158      5.29984701    -12.87497567
  H     13.77099658     10.36514657    -13.82932003
  H     13.88472870     10.98835008    -10.62214536
  O     17.45044566      8.91741872     -9.06047230
  H     16.67855301      5.44134626    -14.79853294
  H     13.71598751     12.52520482    -10.61592575
  O     13.76554184      4.31256870    -12.69294459
  H     17.37572848      6.11542227    -13.59819327
  H     13.75695211      7.51016894    -14.96868596
  O     18.45950910     11.71268213    -13.02208588
  H     15.07459432      7.60435984     -7.49876388
  H     14.21504186      6.14074009    -15.56712184
  O     19.46203984      7.55166037    -10.53749518
  H     15.97893283      8.13929401     -8.63424898
  H     13.21193988      6.79359668    -11.11275966
  O     14.21462188     11.81711131    -11.01539095
  H     18.99737712      8.35554144    -15.83470708
  H     11.82342323      6.63637585    -11.78808026
  O     13.76481451      6.97005075    -15.77654632
  H     18.84680605      7.13820048    -14.92638510
  H     13.14250343      8.11461383    -12.80189767
  O     12.40736296      7.27419873    -11.36115051
  H     19.75071869      8.76161860    -13.50430394
  H     14.57564465      8.61334676    -13.09721905
  O     13.70009928      8.49273154    -13.49246628
  H     19.45229568     10.07049807    -12.73625851
  H     16.73654833      7.54558673    -15.52674814
  O     16.33201256      8.25102393    -16.04943607
  H     15.75359019     10.96620213    -14.52639923
  H     15.43048660      7.95032603    -16.21007142
          69
 Energy    -248.52412196172691     
  O     16.87787482      9.72944383    -12.02508213
  H     17.69752365      9.21483157    -12.02651955
  H     11.92212575      9.00512324     -6.36073939
  O     14.04966988      5.11406803     -8.07355128
  H     17.09131162     10.63881955    -11.78143429
  H     17.39048256      4.11701338    -12.75195320
  O     17.48598555     12.26455182    -11.03404317
  H     13.92448711      4.29790350     -7.59764454
  H     18.57384450      3.13644014    -12.94750722
  O     12.06824829      7.01941782     -8.86835882
  H     14.38329372      5.76837442     -7.43246395
  H     15.56744009      6.83090088    -10.15691339
  O     14.56310703      8.49555714    -12.97135548
  H     18.20154923     11.97802308    -10.43619230
  H     15.06175207      5.49950033     -9.54051493
  O     19.07483168      8.06359005    -11.79776656
  H     17.76880528     13.08265193    -11.43324297
  H     18.54082599      5.67283493    -13.73390597
  O     20.80612866      9.00484112     -9.76386949
  H     12.25801495      7.40163770     -9.73438134
  H     18.75157611      7.16977984    -13.44238143
  O     18.32595489      5.70805837    -10.46093338
  H     12.67622555      6.28142188     -8.73726490
  H     17.63607598     11.71704255     -6.23079317
  O     15.74287382     12.04583861     -8.75528145
  H     14.87969316      7.83576696    -13.59874390
  H     16.89180638     11.49316996     -7.56929471
  O     12.52046126      8.60553447    -11.21333258
  H     15.34329064      9.00814969    -12.71929764
  H     16.71387531      6.65678726    -14.54500309
  O     13.65758195     10.20672985     -9.18799127
  H     18.77823101      7.26890033    -11.32986141
  H     15.64714910      6.55303209    -15.65744042
  O     12.64711795      8.84505907     -6.95887688
  H     19.75361617      8.46037550    -11.23964403
  H     15.09071935      9.10898616     -9.49168771
  O     18.36258359      4.03957440    -12.72946318
  H     21.74932369      8.90345126     -9.66965906
  H     16.25104308      8.97752979    -10.51023422
  O     15.55773036      5.87116651    -10.28025945
  H     20.39164781      8.33193167     -9.19260904
  H     18.86478730     11.24090710     -8.43214262
  O     18.41745388      6.55487529    -14.10753424
  H     17.36783817      5.72201910    -10.32452540
  H     19.85868410     10.57134788     -9.41882582
  O     17.60083989     11.14903839     -6.99571253
  H     18.49106645      5.05491061    -11.15170360
  H     14.19878137      7.78009818     -6.47949658
  O     15.75584686      6.60787348    -14.71165432
  H     14.95982210     11.51277981     -8.94498631
  H     15.72072201      7.52020255     -6.61933548
  O     15.84814909      8.56294791     -9.73626255
  H     16.19734331     12.18576603     -9.59465537
  H     18.74153809      7.50163075     -7.87067562
  O     19.31306405     11.35495661     -9.27909643
  H     13.25809446      8.52026370    -11.84349113
  H     19.14741115      6.50099940     -8.97838599
  O     14.87464423      7.09399635     -6.42718298
  H     11.74337622      8.78940906    -11.73538778
  H     17.37120326      9.30836869     -7.09742341
  O     19.50305382      7.12806354     -8.33440047
  H     13.29268911      9.85720328     -8.36352238
  H     16.77414724      8.42258859     -8.21512706
  O     17.19450011      8.39131522     -7.34143497
  H     13.18247317      9.77990190     -9.91356565
  H     15.52911793      5.00398318    -11.90987464
  O     15.70055135      4.54638969    -12.74527510
  H     12.34587471      8.17077261     -7.59627863
  H     15.56810668      5.20024270    -13.44274586
          69
 Energy    -248.52401940548506     
  O     15.55144855     11.64966567    -11.40654065
  H     16.37411988     11.24888193    -11.10559581
  H     18.85244498      8.95687129    -13.67859160
  O     14.00293606      6.82217379    -14.79339093
  H     15.57675319     11.60227089    -12.37386522
  H     15.74372154      9.40226457    -13.72071179
  O     16.55588757      5.32789057    -11.47128235
  H     14.62522468      7.44378961    -14.37803953
  H     15.89171497      8.33634813    -12.58413515
  O     13.30691921     10.97849756    -15.59312420
  H     14.34593372      5.94310494    -14.59920307
  H     12.66234710     11.79948532    -10.17765357
  O     12.79155773      6.00659438     -9.15839720
  H     15.98072311      4.81608061    -10.88341475
  H     13.94595191     11.33386478    -10.90886182
  O     12.18664211      7.52973831    -12.82141511
  H     16.50076660      6.25295626    -11.19644272
  H     13.86898728      3.53660109    -13.02676787
  O     16.18446157      7.97231384    -10.81823643
  H     12.74051044     11.55908993    -16.09416637
  H     12.97581726      2.29191350    -12.83681457
  O     17.39223616      9.06494630    -16.77346299
  H     12.81163134     10.72714335    -14.79239538
  H     11.96486141      9.32473242    -13.17015334
  O     11.41182985      5.20951096    -11.56604566
  H     12.43383425      6.17654912     -8.29036046
  H     12.33007681     10.63281865    -12.43991595
  O     18.14202679      7.44912586    -14.56644039
  H     13.03283754      6.86887513     -9.53444982
  H     18.91187527      4.18742591    -13.45285981
  O     14.62081626      8.71626721    -16.81878576
  H     11.77558174      6.73231965    -12.45937248
  H     17.73388396      4.92833829    -12.78770029
  O     18.95648186      9.83336390    -13.28457934
  H     12.73693557      7.25671346    -13.56800458
  H     15.52075003      4.88223520    -12.93025790
  O     15.77371604      8.45532131    -13.53395044
  H     16.74988484      8.73973659    -10.66471950
  H     16.07435836      4.30022947    -14.21492937
  O     13.03164469     11.08090921    -10.68308836
  H     15.27173171      8.18523214    -10.57871193
  H     14.01390289      4.65649608     -9.68363230
  O     13.19180330      3.13997526    -12.45620505
  H     16.43948278      8.91712903    -16.86672039
  H     14.08332770      3.57144575    -10.77584399
  O     12.06591078     10.27855695    -13.29591115
  H     17.72575893      8.38197160    -16.17816228
  H     17.84179114     10.55646232    -16.06843354
  O     18.17608058      4.76558101    -13.63860768
  H     11.75468793      5.38841240    -10.68190953
  H     18.50255067     11.95660243    -16.13208997
  O     15.24282149      4.48450136    -13.77098933
  H     11.92603745      4.46517066    -11.90222147
  H     13.06489040      8.04486486    -11.32956424
  O     14.60298341      4.00793049    -10.09023832
  H     18.22947569      6.52034799    -14.32648667
  H     13.26279295      9.28422449    -10.42020165
  O     18.04789307     11.35662040    -15.54847980
  H     17.28371816      7.74930938    -14.22859294
  H     18.62607574     10.41049722    -10.21248845
  O     13.44732007      8.33887719    -10.48817303
  H     14.31139837      7.96326920    -16.29997086
  H     18.30862492     10.06525198    -11.68520375
  O     17.91385311     10.17516721    -10.80104035
  H     14.12937798      9.47649186    -16.48598256
  H     14.89083461     11.22562714    -14.70437958
  O     15.66187403     11.20230802    -14.12288034
  H     18.76272371     10.45514522    -13.99593120
  H     16.45238649     11.36262932    -14.65432714
          69
 Ord_Energy   -248.523849    
 O   -5.37602711       3.02084827       1.36057103    
 H   -5.71888161       2.53361773      0.602919161    
 H   -4.79268074       3.70944142       1.00804639    
 O    2.08209682     -0.629279912       1.14058852    
 H    2.89627218      -1.12181866       1.07874203    
 H    1.43240929      -1.22054899       1.56202471    
 O   -1.68813705      -2.10245514      -3.01411692E-02
 H   -2.25547338      -2.31642532     -0.780427158    
 H   -1.11836076      -1.37488222     -0.319661170    
 O   -1.84517336      -1.97059774       4.07706928    
 H   -2.53737116      -1.90572822       3.39713621    
 H   -2.18504763      -2.54666138       4.75709391    
 O   0.169828564      -2.29565668       2.08776069    
 H  -0.388890713      -2.21235180       2.86927199    
 H  -0.439969331      -2.42340684       1.34841502    
 O    4.22163904E-02  -4.37245518E-02 -0.700845420    
 H   0.258009553      0.206008688      -1.60817182    
 H   0.855678439     -0.184059083     -0.202156290    
 O   -1.60221732      0.894074142       4.14977312    
 H   -1.56981647      -6.22474886E-02   4.25314999    
 H   -2.36994886       1.06862152       3.58536649    
 O   -5.30166674      -1.19964743     -0.318458676    
 H   -4.74379206      -1.60265541     -0.995158732    
 H   -4.88806820      -1.40931690      0.526845515    
 O   -3.57960033      -1.56181574       1.96608675    
 H   -3.66076326     -0.601777017       2.08771348    
 H   -2.91935611      -1.71569431       1.27361119    
 O   -3.47995710       4.84824181      0.356961638    
 H   -3.24408698       4.86609650     -0.576680303    
 H   -2.64447045       4.70919466      0.821784675    
 O   -3.59274650       1.16133940       2.24895382    
 H   -4.30228281       1.80328631       2.10993409    
 H   -2.97177505       1.29651392       1.51775777    
 O   0.262766570      0.875297546      -3.31595802    
 H   0.161021024       1.81349921      -3.06951213    
 H   0.870040774      0.847603321      -4.04982853    
 O   -1.89459920       1.72044837      0.170299828    
 H   -1.53905296       2.54502392      0.526360154    
 H   -1.15677345       1.15316260      -8.60731080E-02
 O   0.159422874       2.85232759       3.65623212    
 H   0.348026335       3.28619075       4.48405027    
 H  -0.450065017       2.11987114       3.85970664    
 O   -2.66097593       4.48988008      -2.42110848    
 H   -3.08354163       3.61720514      -2.33546519    
 H   -3.10452890       4.94041967      -3.13578105    
 O   -2.04531997E-02   3.42113113      -2.50608754    
 H  -0.874001384       3.86907840      -2.46411061    
 H   0.481695980       3.69022274      -1.72701764    
 O  -0.940587461       4.07423925       1.35547662    
 H  -0.632921398       3.73504782       2.20600843    
 H  -0.152783498       4.25272799      0.826270878    
 O    1.99116588       2.16728854       1.60887074    
 H    2.06122017       1.21036041       1.51643801    
 H    1.42305386       2.33067203       2.37334895    
 O    1.42908394       4.11831236     -0.171158031    
 H    2.14118695       4.75262260     -0.157791749    
 H    1.69582915       3.38478017      0.412573785    
 O   -3.44769502      -2.29529190      -2.20861030    
 H   -3.63989472      -2.95096302      -2.87323093    
 H   -3.09319830      -1.51605296      -2.67421055    
 O   -2.46002364      -6.37144595E-02  -3.36494899    
 H   -2.92313409      0.680007875      -2.95386672    
 H   -1.53866076      0.206562981      -3.44119406    
 O   -3.65554976       2.00310349      -1.92323399    
 H   -4.55560398       1.82064140      -1.62616515    
 H   -3.07124877       1.89665556      -1.15544164    
 O   -6.13993168       1.32494473     -0.868650079    
 H   -5.88432169      0.414991677     -0.633687377    
 H   -7.04641962       1.28568709      -1.16158760    
          69
 Energy    -248.52377930725936     
  O     13.41114494     13.46111095    -14.55436711
  H     13.08241428     12.77829577    -15.15024479
  H     14.29947492      9.35805670    -18.65649467
  O     19.30106229     10.62653380    -12.23661841
  H     14.15043103     13.87594174    -15.01622004
  H     16.46272316     10.03385671    -13.01380895
  O     17.47993550     14.12039386    -13.89221945
  H     18.80221939      9.80934654    -12.36676284
  H     16.11907153     11.53821712    -12.77067536
  O     15.74439355      6.37963804    -13.19951188
  H     18.97688365     10.98974281    -11.40379359
  H     13.89380875     11.52251394    -16.69886916
  O     16.02934803      9.45861702    -10.07315029
  H     18.22497455     13.56031166    -14.14391299
  H     12.80963214     10.43140212    -16.80071019
  O     14.40349898      7.29030955    -11.02731844
  H     16.91829764     14.21272051    -14.67085663
  H     16.90483409      8.78414519    -11.51762327
  O     13.58021223     13.36040038    -11.84880237
  H     16.00882000      5.47076565    -13.08188435
  H     16.94174668      7.80664071    -12.72897081
  O     12.87740348      8.62365171    -17.43892556
  H     15.22308756      6.62668538    -12.41398979
  H     12.57125632      9.25001553    -12.62089124
  O     16.74507325      8.52695808    -16.98952553
  H     15.21854568      9.98259128    -10.18136252
  H     11.25433036      8.74433272    -11.98006499
  O     14.50495645      7.72469002    -15.34917175
  H     16.71858641     10.09314466     -9.84520421
  H     15.42265476     13.25369140    -11.65649177
  O     17.41238076     10.96268283    -15.69790968
  H     13.57640116      7.74723225    -11.22619144
  H     16.76832823     13.51723178    -12.41714448
  O     15.14113619      9.74537776    -18.91726812
  H     14.93810975      7.91409730    -10.52040521
  H     20.48784057     12.34017797    -14.61782320
  O     15.96854919     10.79028351    -13.36008603
  H     13.48627024     13.36891608    -12.81748038
  H     19.51539772     11.65802057    -13.62732256
  O     13.03759637     11.24786741    -16.33888861
  H     13.02995001     14.06557586    -11.51709986
  H     17.34240925     12.17681832    -10.50185714
  O     17.34174900      8.60381894    -12.36502858
  H     13.44197164      8.18865830    -16.77929920
  H     18.19419955     12.15218166     -9.21071042
  O     12.17933196      8.89264328    -11.80417714
  H     12.24992239      7.96761807    -17.73255427
  H     15.40254296     11.33262334    -18.10221347
  O     16.36135975     13.03260985    -11.68072417
  H     17.12391700      9.29079671    -16.53519679
  H     16.24480024     11.65032229    -16.84296969
  O     19.56281595     12.22405685    -14.41888359
  H     16.04635417      8.20051563    -16.40984911
  H     13.05260886     10.25737708    -10.81209480
  O     17.89935051     11.61059862     -9.93828138
  H     14.15545601      8.46818654    -14.83737969
  H     13.60208969     11.69626325    -10.92584564
  O     15.53813863     11.99585342    -17.41008785
  H     14.92060127      7.13905630    -14.70470953
  H     15.63221278     15.13541672    -16.67445579
  O     13.70556694     10.86630685    -10.44605060
  H     16.85898874     10.92349582    -14.90387515
  H     15.61064106     13.59097145    -16.65788806
  O     15.63679262     14.38047283    -16.09068629
  H     18.24397860     11.36259735    -15.42054118
  H     14.32617911     10.27060243    -13.66619987
  O     13.47291957      9.91461511    -13.95871558
  H     15.80161945      9.26912471    -18.38931661
  H     13.22232904     10.41384292    -14.74616047
          69
 Energy    -248.52374046639176     
  O     14.65832135      9.85601168    -10.46705874
  H     15.44592752     10.14404463     -9.98910938
  H     13.38880654      8.75093601     -9.84114022
  O     13.20537864     10.42795515    -16.31281120
  H     14.53061072     10.40927118    -11.25079458
  H     18.56912089      7.72698175    -15.18107948
  O     16.97106401     10.95026160    -13.76028301
  H     13.18627108     11.28609711    -15.87075419
  H     19.03092062      7.32718336    -13.76743172
  O     16.99012818      7.45027704     -8.60924969
  H     12.98988699      9.77610978    -15.63422970
  H     14.52250405     12.90284466    -15.22882217
  O     16.13451632     12.63445920    -15.83802122
  H     17.54670507     10.87891825    -12.98585325
  H     13.27594160     13.76417813    -14.90762075
  O     15.84352972      7.76398081    -11.93198097
  H     16.05948271     10.88924003    -13.44773953
  H     13.82208166      8.17450793    -14.40985715
  O     14.25197999     10.91353808    -12.95961986
  H     17.53331686      6.81459548     -9.08934690
  H     12.63587194      8.07285950    -13.43498245
  O     18.62819558      7.71648821    -11.96251929
  H     16.12966999      7.03020523     -8.49144510
  H     14.74121877     10.35679019    -17.18886165
  O     18.46463704     10.47175631    -11.50950428
  H     16.59086907     12.18058707    -15.11486035
  H     15.48951601     10.36445039    -18.54137627
  O     17.05159358      5.14716811    -14.22049983
  H     16.07273672     11.98761459    -16.55164638
  H     11.55910781      6.08423643    -12.27996872
  O     16.88554138      3.98586977    -11.83412334
  H     15.42984780      6.95337270    -11.61137138
  H     13.04138785      6.17544074    -11.86612152
  O     12.81001337      8.01355525     -9.59383912
  H     15.45699373      8.49282274    -11.43146007
  H     14.06199404      5.83223315     -7.65153020
  O     19.01841007      7.02918310    -14.68714446
  H     13.96975008     11.66996665    -13.48817838
  H     13.80538679      6.86956915     -8.77347696
  O     13.61948852     12.87665118    -14.86241124
  H     13.81148112     10.13464508    -13.32910200
  H     15.28303551      4.80959501    -11.35677299
  O     13.03681527      8.65012117    -14.09287696
  H     17.66089013      7.77929176    -11.99561864
  H     14.53969473      5.52306352    -10.17960309
  O     15.62213694     10.41751449    -17.59865827
  H     18.81128638      7.00641658    -11.33938854
  H     17.96360449      4.96083794    -10.71095467
  O     12.26470424      6.70477170    -12.10890573
  H     18.71886020      9.55193026    -11.66802038
  H     19.22440488      4.98593521     -9.82018967
  O     14.42595291      6.18593474     -8.45849175
  H     18.04140157     10.47021297    -10.64359058
  H     16.03278067      7.91621822    -15.12359071
  O     14.54775205      5.39565544    -11.13892025
  H     17.84680473      5.66022982    -14.42872437
  H     15.57839709      7.55077159    -13.69050784
  O     18.50130347      5.52479472    -10.13377385
  H     16.32345406      5.72701850    -14.47257748
  H     17.06939795      9.18825776     -8.86500524
  O     15.38628023      7.39406596    -14.62845870
  H     16.92883708      3.04240936    -11.96455588
  H     17.27575500     10.57908818     -8.22043906
  O     17.04209213     10.14636960     -9.03747780
  H     16.97330021      4.39380008    -12.71750707
  H     16.82667301      9.46345373    -16.50765592
  O     17.29124186      9.05826414    -15.76539339
  H     12.44607535      7.67353695    -10.41887245
  H     17.27224739      9.70932722    -15.04729501
          69
 Energy    -248.52311283682451     
  O     10.66023296      9.38389444    -11.92766872
  H     11.47548568      9.86202385    -12.13039011
  H     15.71845923      7.02768366    -18.40952445
  O     13.92933725      6.78706543    -15.39133110
  H     10.89240359      8.69364210    -11.29384736
  H     18.06976691      6.57820339    -15.52678433
  O     16.53491959     10.86282463    -11.10794843
  H     14.45177504      6.86270582    -16.19970007
  H     18.13615373      8.08351456    -15.84077123
  O     16.20318891     11.78385072    -15.65447274
  H     13.33542703      7.55101375    -15.35277257
  H     15.51688133     12.21998026    -14.03219454
  O     12.42906390      9.09788168    -15.16370875
  H     16.13938780     11.45901876    -11.75260323
  H     15.05199770     13.35228126    -13.09116376
  O     16.47511309      5.28622558    -10.24315083
  H     15.91347833     10.12452992    -11.03306628
  H     15.19737566      7.49043832    -14.30579264
  O     13.35003646      5.11958616    -13.25483945
  H     15.60355196     11.14413970    -16.08166174
  H     16.56729569      7.06459958    -13.72799031
  O     14.79605067      8.69419896    -11.43144589
  H     16.53401612     12.35258740    -16.34483888
  H     10.94444613      6.87068802     -9.44992632
  O     14.59271502      9.94784055    -16.77291744
  H     11.52169404      8.80419403    -15.01540896
  H     12.19151273      6.76255164    -10.35280626
  O     15.92811691      4.02646107    -12.81749062
  H     12.69689604      9.57172632    -14.36247328
  H     18.62929420      7.61513860    -11.51147317
  O     17.78116323      9.57880521    -14.72607731
  H     17.21245662      5.82469672    -10.57089057
  H     19.57860729      6.52862304    -10.96797186
  O     15.63961167      7.38577099    -17.52941774
  H     16.80068460      4.81976040     -9.47623434
  H     10.41029027      6.52859043    -13.42627138
  O     18.03002043      7.21506875    -16.25259141
  H     12.39025339      5.20059628    -13.15556896
  H     10.75067345      6.20059520    -11.96477244
  O     15.11713349     12.40284052    -13.16751925
  H     13.57609222      5.62407508    -14.04852976
  H     18.51901910      9.40967984    -12.98033791
  O     15.91681550      7.77959867    -13.73114515
  H     15.27483923      8.40631982    -12.22565175
  H     17.97044310      9.85806626    -11.61679001
  O     11.28203454      7.10089600    -10.31233054
  H     14.41656013      7.89421266    -11.05372457
  H     17.19438023      5.02888136    -13.60245693
  O     18.68628416      6.67114917    -11.27399880
  H     14.96401824      9.12041420    -17.10212533
  H     18.27166534      5.98509466    -13.02303466
  O     10.71409355      5.81759262    -12.84952716
  H     13.76673359      9.72068665    -16.32650609
  H     13.69642267      5.81349660    -11.61973029
  O     18.59120120      9.24281149    -12.03288164
  H     15.00672252      4.24197825    -13.01506322
  H     14.70739110      5.86119330    -10.44201988
  O     17.81449330      5.73766086    -13.83532315
  H     16.06986414      4.29084109    -11.90128140
  H     13.70174143     11.17660543    -12.92949768
  O     13.83928852      6.16912568    -10.72837182
  H     17.05790748      9.02897484    -14.38329263
  H     13.67250555      9.77922050    -12.27659526
  O     13.14679606     10.39863637    -12.80533145
  H     17.37162223     10.38962030    -15.04410298
  H     10.08994076      8.67776541    -13.41500000
  O      9.91623465      8.22041087    -14.25859197
  H     16.51488374      7.29795768    -17.11197325
  H      9.01397451      8.41516377    -14.49771121
          69
 Energy    -248.52287069454260     
  O     11.84255484     14.71174366    -12.66151962
  H     11.40163732     15.54346618    -12.82071193
  H     13.59066472     12.83313608    -14.30957270
  O     13.02217468      8.35234611    -17.55509733
  H     11.78716787     14.20629974    -13.48860709
  H     16.28267132      9.13733874    -11.86873883
  O     10.80758102     10.38146631    -11.82866344
  H     13.26732026      7.70555054    -18.21079030
  H     14.81934186      9.49995299    -11.53696489
  O     13.32487401      8.67495956    -14.76413016
  H     13.63985468      9.10086152    -17.64908976
  H     13.16500366      7.73960270    -13.11808924
  O     13.51767672     12.18080687     -9.55595280
  H     10.71311579     11.21412650    -11.34191577
  H     14.10685923      7.67753346    -11.91181435
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  H     14.17411963     13.60901771    -10.72865195
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  H     13.19583376      8.38836002    -15.67711183
  H     13.57994422     14.46755700    -11.85600369
  O     12.96427454      9.79516573     -8.35408497
  H     14.13714343      9.20036659    -14.75327252
  H     12.09505914      7.84616823    -10.94388946
  O     13.61305864     10.75727983    -11.91765121
  H     13.24377132     11.47171232     -8.95292670
  H     10.96365583      7.43202335     -9.97435651
  O     16.92295198     12.38791658    -11.41906312
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  H     17.32502259     10.99658845    -12.38308261
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  H     15.07448233     10.53484228    -16.71030743
  H     18.46177106     10.09029147    -12.90969091
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  H     14.04427807     11.33773295    -17.54960945
  H     11.58470187     12.20617892    -14.72990964
  O     15.51062441      8.83695193    -11.37570645
  H     11.93543280      9.85185939    -14.58280014
  H     12.09694095     13.11458401    -15.87159150
  O     13.22911439      7.40880915    -12.21276354
  H     10.86598295     10.39966640    -13.60342610
  H     16.17633163     10.66629835     -8.66416782
  O     14.40927301     14.09074633    -11.53191026
  H     13.84137839      9.39205497     -8.32109266
  H     15.34151360     11.92149435     -8.92995398
  O     11.50042101      8.17267006    -10.24514507
  H     12.43684855      9.23262035     -8.93414080
  H     15.23135976     11.21931942    -14.62056064
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  H     12.66603362     10.58173991    -11.98442970
  H     16.33189199     10.18458599    -14.33426005
  O     11.90884472     13.09951028    -14.92445569
  H     13.86315340     11.33999426    -12.64418724
  H     12.32983607     13.02353301    -18.43901758
  O     16.25155365     11.60686016     -8.86436996
  H     16.81215677     12.11049459    -10.49571905
  H     11.90068890     11.80082204    -17.59203157
  O     15.58548588     10.36597863    -14.91625089
  H     16.33981956     13.14119697    -11.53299578
  H     15.63116508      8.74526380     -9.60653620
  O     12.49321990     12.57478537    -17.61331653
  H     11.74613451     12.74032442    -10.10346176
  H     16.10322878      8.04742495     -8.30885908
  O     15.63713699      8.81214128     -8.63639791
  H     11.15842915     13.52449565    -11.29099976
  H     11.52917718      9.56587347    -17.48893869
  O     10.97548358     10.33727245    -17.31420869
  H     14.54416414     13.18263450    -13.12596902
  H     10.82926810     10.34266648    -16.35802997
          69
 Energy    -248.52286781336630     
  O      3.38240405     -3.61740679     -3.41749349
  H      4.12968730     -3.64764194     -2.79200161
  H      2.68286773     -0.71571811      4.38427646
  O     -1.28684167      0.08289902      0.68215397
  H      3.75542812     -3.60802714     -4.29485732
  H      0.47024950     -6.82127942     -1.87684602
  O     -0.82237533     -3.95566230     -1.38340396
  H     -0.98971078     -0.30172176     -0.16059466
  H     -1.04006109     -7.08824092     -1.74375196
  O      2.48255388     -4.72259760      4.22456996
  H     -1.99584584      0.68064624      0.46319508
  H      3.61404977     -5.34796357      0.47752361
  O      4.20449258     -1.27545377      1.89367006
  H     -0.00565617     -4.37206520     -1.69298927
  H      2.16749656     -5.59547225      1.05170788
  O     -2.56240980     -6.50994933      1.00718707
  H     -1.53857337     -4.56632147     -1.59761851
  H     -0.88850547     -4.10110824      0.45606469
  O      0.92955686     -6.00457247      2.32496037
  H      2.49785067     -5.22059264      5.03948917
  H     -0.82632139     -3.38293702      1.82781910
  O     -0.37296440     -1.16411332     -1.57990953
  H      1.91801663     -5.21818149      3.61045374
  H      4.08352182     -4.09978227      3.39457084
  O      4.99113209     -0.80911311     -0.66649607
  H      3.96640408     -0.74823376      2.67021232
  H      4.73388424     -2.90418513      2.65190572
  O      2.45840502     -1.40847199     -1.88209255
  H      3.39279141     -1.68576486      1.55809190
  H     -0.56543583     -1.07303313      1.83936843
  O      2.05795790     -2.51157493      0.67180309
  H     -1.88802280     -7.18555087      1.14396145
  H      0.66573232     -2.00986424      1.71206344
  O      3.34739945     -0.03948873      4.16408820
  H     -2.15530200     -5.67856856      1.29132519
  H      1.80590481     -2.92680236      4.47714652
  O     -0.17237122     -7.47002120     -1.56125542
  H      0.26463299     -5.34910848      2.06021503
  H      0.84438796     -1.89839800      3.84184093
  O      2.67123542     -5.21699387      0.31961608
  H      0.60652973     -6.85823419      2.00987856
  H     -0.13917460     -7.99163471      0.10788151
  O     -0.97422427     -4.24131001      1.40940591
  H     -0.59580254     -2.10459608     -1.56146993
  H     -0.19035665     -9.16692611      1.11134997
  O      4.86146517     -3.83163215      2.89129401
  H      0.56461999     -1.11281413     -1.79964217
  H     -2.75711165     -6.24710523     -0.72248267
  O     -0.09140402     -1.79385009      2.27791910
  H      4.79052166     -0.90987849      0.28040787
  H     -3.54227139     -6.20352332     -2.05594966
  O      1.50346324     -2.01480572      4.54165969
  H      5.57781228     -0.06124279     -0.74374748
  H      5.31482675     -4.73955686      1.52115297
  O     -0.20957440     -8.21551317      1.05363863
  H      3.29411468     -1.05378431     -1.55294896
  H      6.11384820     -5.89364185      0.86355122
  O     -2.67713146     -6.07399262     -1.67774902
  H      2.68838100     -2.12085132     -2.49264759
  H      2.09863594     -4.78497939     -2.71987386
  O      5.43707117     -5.24413438      0.69544151
  H      2.28095651     -3.44589521      0.57485973
  H      1.94846557     -5.31163607     -1.27545738
  O      1.51048745     -5.28249107     -2.14085604
  H      2.06446261     -2.12877069     -0.21483579
  H      5.33995975     -2.59490260     -1.22420441
  O      5.34921535     -3.49711042     -1.56821799
  H      3.05851496      0.76173292      4.59150640
  H      5.44808701     -4.08387328     -0.80934584
          69
 Energy    -248.52264934467416     
  O     13.99400462     10.12610870     -9.42390011
  H     13.84263213      9.17327468     -9.43720601
  H     14.49133405      8.35326712    -15.65973688
  O     13.41796586      5.66329753    -11.73972701
  H     14.95076288     10.24928130     -9.43867319
  H     15.90234916      5.01145277    -14.54279527
  O     16.57888037     10.92495293    -12.37296817
  H     13.49807769      6.23106964    -10.96540822
  H     15.37479945      6.24334392    -15.31096902
  O     17.50511143      9.94203804    -14.78091046
  H     12.80255343      6.09622833    -12.34796785
  H     17.41858601      6.67804413    -14.66564891
  O     14.44027596     12.56065901    -12.84982310
  H     17.02035203     10.72102920    -13.20835215
  H     18.85610127      7.20284438    -14.89217389
  O     13.83291021      7.26546714     -9.37335678
  H     15.89371972     11.58939942    -12.54456639
  H     15.53717812      9.41240364    -12.50278583
  O     15.17806248      9.95776612    -16.32230960
  H     18.07992886     10.08155726    -15.54708920
  H     15.54620483      7.88700310    -12.22551451
  O     13.04873331     11.21748592    -14.99960714
  H     17.64371549      9.02116996    -14.51824568
  H     15.48255829      3.44213662    -12.52885841
  O     17.57778364      6.27309536    -17.60069181
  H     14.01051987     12.27210584    -13.66325518
  H     14.69543997      4.77233924    -12.44037837
  O     11.89656277      7.05729488    -13.62212057
  H     13.78717297     12.42812543    -12.15018467
  H     16.74873618      8.50427372     -9.38879244
  O     16.90830942      6.60603375    -11.88220793
  H     13.51581358      6.86164758     -8.56853411
  H     16.80541417      7.16926701    -10.16295211
  O     14.27599074      7.61548187    -15.07784847
  H     14.80344820      7.30799451     -9.29813433
  H     20.65072705      6.60729913    -16.72736072
  O     16.08588293      5.58404536    -15.29709780
  H     14.46464417     10.48360493    -15.94025358
  H     19.12213742      6.74703647    -16.93678111
  O     18.10352540      7.25133255    -14.29021595
  H     15.94238609     10.02386565    -15.72988597
  H     16.82702407     10.60131709    -10.65495635
  O     15.01069565      8.60641224    -12.58068393
  H     12.78328634     10.63040336    -14.27154874
  H     17.42883656     10.99464818     -9.28779679
  O     15.49391838      4.35202655    -12.81236847
  H     12.24358544     11.54200075    -15.39621877
  H     15.97637809      9.24646280    -17.75588236
  O     16.52976753      7.56679190     -9.32399571
  H     17.00416326      5.89906959    -16.91858331
  H     16.17662591      9.06788520    -19.27648891
  O     19.89076343      7.11964359    -16.46612781
  H     17.13937268      7.06786821    -17.93019783
  H     11.88707901     12.27068104    -10.34352541
  O     16.82801313     10.38395194     -9.70732825
  H     12.57185357      7.11527548    -14.31083766
  H     13.02965673     11.22637193    -10.29674155
  O     16.52928665      8.81355277    -18.42699803
  H     11.81337991      7.96050833    -13.29067421
  H     19.42730772      8.93628586    -16.93297194
  O     12.50318868     11.79307956    -10.89136038
  H     16.50023539      5.76547655    -12.12659062
  H     18.22259007      9.50095298    -17.69895580
  O     18.94846231      9.75505857    -17.11598792
  H     17.48596632      6.86028112    -12.61451508
  H     12.31958900     10.38458959    -12.09741356
  O     12.44798359      9.70347756    -12.76867454
  H     14.52620988      7.90956046    -14.18832017
  H     13.29835132      9.27912194    -12.57621420
          69
 Energy    -248.52254236765555     
  O     15.71519545      8.52263843    -15.56936486
  H     16.41734988      8.43926987    -14.91073730
  H     16.15658315      9.21514206    -17.09574531
  O     14.58427566     12.07815034    -15.00772313
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  H     16.52527684     12.60032313    -11.07114743
  O     20.14749235     11.08596258    -11.34420302
  H     14.03256116     11.33945838    -14.72632605
  H     15.54734876     12.80102146     -9.89208868
  O     14.76248641      9.83564239    -11.65612409
  H     15.47866230     11.84735052    -14.71566901
  H     18.69757757     16.06575937    -13.16054803
  O     18.00255176     10.21718355     -9.84371816
  H     20.41035069     11.95737040    -11.66319494
  H     19.20045647     17.08176785    -12.12340503
  O     17.68978276      8.66010702    -13.54528943
  H     20.29432164     10.46981519    -12.07172437
  H     20.03007268     10.91952220    -16.01848002
  O     15.09846760     12.16414059    -17.76357774
  H     15.38283290      9.14878263    -11.38428025
  H     21.10847836     11.83922657    -15.43604494
  O     18.51567462     14.00255869    -16.48238885
  H     15.08458740     10.65452473    -11.26021794
  H     17.33052384      8.78664270    -10.48801639
  O     20.40072270     13.67457318    -12.48529283
  H     17.33842412     10.91330682     -9.89995324
  H     16.89425629      7.30500121    -10.35584283
  O     18.32858921     11.25095706    -16.57579130
  H     18.79123764     10.54713490    -10.30082707
  H     15.78529556     13.74574055    -17.91432474
  O     13.54010358      9.64482378    -14.05785012
  H     18.65031991      8.76445846    -13.54275953
  H     15.87984545     15.10194820    -18.65346725
  O     16.44557676      9.65638999    -17.91544013
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  H     17.86276727     14.82101867    -14.92437745
  O     15.95072075     12.13344029    -10.44123441
  H     14.81493003     12.11581653    -16.83957592
  H     16.46653289     15.25511542    -14.44036996
  O     19.44883526     16.28602827    -12.58722667
  H     15.50796426     11.31230848    -17.95188524
  H     20.17014021     13.93116962    -15.74685413
  O     20.87089329     10.91112212    -15.53800353
  H     18.45673491     13.03956238    -16.57714736
  H     21.62163594     14.42039506    -15.56304766
  O     16.87458599      8.05402162    -10.94401770
  H     17.79708243     14.35803122    -17.02098938
  H     21.17688153      8.58358024    -13.44176615
  O     16.15565048     14.64644450    -17.86284076
  H     20.65483441     13.60255413    -13.41373870
  H     20.64765758      9.80004236    -14.23588345
  O     17.40188432     15.24572576    -14.18901293
  H     20.19261865     14.61159545    -12.35583541
  H     17.23304443     10.41155284    -13.81751774
  O     20.99936124     13.75721718    -15.27274412
  H     17.77586254     10.70779830    -17.14821658
  H     17.35364672     11.92506294    -13.43295355
  O     20.45207222      9.20160028    -13.49302157
  H     17.89881240     11.26292493    -15.70525735
  H     14.66421821     13.96601183    -15.08703240
  O     17.10781147     11.31449216    -14.13770001
  H     13.95058099      9.71290534    -13.17647660
  H     15.21243248     14.92350400    -16.16002996
  O     14.91497433     14.88700676    -15.24259423
  H     12.67241707      9.27216738    -13.92775711
  H     17.41767351     13.99732982    -12.87596827
  O     17.62917478     13.28167583    -12.26076361
  H     16.48318554      8.98402257    -18.58975569
  H     18.59231121     13.27230625    -12.19172695
          69
 Energy    -248.52249820919752     
  O     -6.33201590      2.79332609      0.20247981
  H     -5.42057984      3.11639583      0.26190197
  H     -2.53826995      0.86936862      4.42914884
  O     -4.96378401      3.33630646     -3.80780642
  H     -6.72206103      3.21623139     -0.57236570
  H     -0.23542667      2.72943946      2.56624920
  O     -6.50591682      1.36691454      2.67219447
  H     -4.13548649      3.20064535     -3.33191093
  H     -0.96669609      2.39529935      3.88127410
  O     -2.84444554     -1.19072086     -0.33515562
  H     -5.14081137      2.50457885     -4.26548115
  H     -3.30279992      4.16918081      0.88574629
  O     -5.65860329      0.70360613     -4.70578855
  H     -6.56994594      1.95003279      1.90455438
  H     -3.29503597      2.66452573      0.54507496
  O     -6.50858970      0.18222100     -0.68614690
  H     -6.71195431      0.47801351      2.35992539
  H      0.25471270     -1.18267046      2.08983638
  O     -4.29471733      0.10799878     -2.30560532
  H     -1.92397591     -1.28147110     -0.62464394
  H      1.76166846     -1.40506134      1.81945580
  O     -2.79943504      2.48462988     -2.13984291
  H     -3.34938363     -0.87667513     -1.09686300
  H      0.22178565      1.84529936      0.11521628
  O     -1.08981071     -1.42724688      3.16093127
  H     -6.48308283      0.78649746     -4.19271477
  H      0.62302492      0.84137706      1.23568779
  O     -0.22503407     -1.03736786     -1.08225267
  H     -5.88780903      0.29226206     -5.53431498
  H     -7.50392924      0.63190399     -2.22067712
  O     -3.87422599     -1.74900610      2.19665476
  H     -6.58498950     -0.42694561      0.05655073
  H     -7.76406846      2.02107170     -2.82155448
  O     -1.65135644      0.82973019      4.83028654
  H     -6.44493197      1.07912033     -0.32396131
  H     -3.42196597      1.06871978      2.55481370
  O     -0.72225253      3.12519524      3.30188432
  H     -4.63066986      0.17398711     -3.20703391
  H     -4.82808185      1.10900630      3.23603311
  O     -3.67164976      3.51673870      0.27397614
  H     -5.07261038      0.11953909     -1.72630963
  H     -7.13093733     -2.09881519      1.94506054
  O      0.98812926     -0.95555529      1.49031031
  H     -3.09604084      2.97203894     -1.35678425
  H     -5.66476795     -1.62491977      1.85803622
  O      0.25149620      1.71890894      1.07245345
  H     -3.29352324      1.65184629     -2.16502184
  H     -1.56012469      1.37088205      1.14231925
  O     -7.77311339      1.07935394     -3.03473041
  H     -1.21939314     -0.70544212      3.78992441
  H     -2.60186631      0.37966878      0.53738033
  O     -3.91155135      0.82555983      3.35625192
  H     -1.96715442     -1.73370050      2.91026146
  H     -1.81925265      4.37554901      2.63803306
  O     -6.57995561     -1.37792294      1.64994562
  H     -0.14158346     -0.12785591     -1.39350994
  H     -2.31860146      5.82867684      2.66748875
  O     -2.50391356      1.19212756      1.04962411
  H      0.28210530     -1.09093631     -0.26179478
  H     -7.60354859      4.61701322     -2.54854592
  O     -2.41623207      5.00425097      2.19910908
  H     -3.88509834     -0.88262014      2.63126868
  H     -6.38228805      3.71076743     -2.82959985
  O     -7.19464571      3.79251206     -2.29886800
  H     -3.52301974     -1.63188651      1.29975317
  H     -1.06961506      2.05898828     -1.90256733
  O     -0.15209739      1.79075382     -1.73033817
  H     -1.77667383      0.84961813      5.77584918
  H      0.37726100      2.18429032     -2.42002985
          69
 Energy    -248.52245798903442     
  O     -4.55942036     -1.11901655     -0.62980922
  H     -4.46792194     -2.00342303     -0.25515972
  H     -2.60659913     -3.45003372      1.11147874
  O     -2.13207736     -0.57214140      2.20764922
  H     -3.72546168     -0.90329968     -1.06201518
  H      2.20916826     -1.12835930      2.86328210
  O     -5.03714286     -2.65110534      3.13905677
  H     -1.95087516      0.05256638      1.49243283
  H      1.05465180     -0.10938360      2.86153885
  O      2.53642070     -2.44568759      4.07545086
  H     -2.02058753     -1.46987911      1.87261167
  H     -3.03949436     -3.08235759      5.71150432
  O     -4.37991562     -3.62144225      0.73241717
  H     -5.04211694     -1.70111697      3.28696611
  H     -2.48500346     -4.02786473      4.63173634
  O      0.89552913     -2.73409375      0.72188974
  H     -4.48741467     -3.03973650      3.83702327
  H     -2.77868677      1.24211677      5.60134692
  O     -2.34434341     -1.76691583      6.90321935
  H      2.39739476     -3.29908346      3.64805212
  H     -3.90432038      0.39916877      4.97540370
  O     -4.55299817      0.23150381      3.23636589
  H      1.80897171     -2.34495126      4.70368608
  H     -2.26368936      0.01717544     -2.80912752
  O     -1.56932883      1.41934603      0.34678887
  H     -4.91639400     -4.38156748      0.52624014
  H     -1.26548874     -0.57492789     -1.78947417
  O      0.40672689     -0.99207437     -1.46324427
  H     -4.68333217     -3.28684940      1.59800228
  H      1.53342166      0.60728090      0.93501199
  O     -0.26187670      0.35466529      3.95936478
  H      1.14310037     -1.96521878      1.25445613
  H      1.96187505      1.82649821      0.08808880
  O     -1.72190772     -3.17244970      1.37920054
  H     -0.05267087     -2.88857235      0.86086959
  H     -3.67340074      2.00041108      2.68988748
  O      1.72787117     -0.51232630      2.29261389
  H     -2.59431109     -1.77238254      7.82334989
  H     -2.53509555      2.36899395      1.71766831
  O     -3.30532877     -3.69073709      5.01120778
  H     -2.71814040     -0.95469656      6.51673647
  H      1.49673095     -4.09317558      1.76940655
  O     -3.34818668      0.48133053      5.76183427
  H     -3.72032090     -0.11640419      2.87727410
  H      2.16706058     -5.44623338      2.09965747
  O     -2.15929763     -0.20289528     -1.88641577
  H     -5.15650761      0.37166425      2.48986631
  H     -6.83781803      0.73721225      0.57038594
  O      1.27035848      1.17772207      0.19260593
  H     -1.86957764      1.00016221     -0.47035519
  H     -5.51121463     -0.01416297      0.34784470
  O     -2.97641162      2.64664675      2.53048711
  H     -0.60464161      1.44844309      0.30725375
  H     -2.08889163      2.72932837      4.03326570
  O      1.70044626     -4.71204567      2.49057102
  H      0.79808348     -0.21335342     -1.04791927
  H     -1.49296005      3.49044550      5.24255064
  O     -5.98883519      0.56430560      0.96715111
  H      0.62509985     -1.72712228     -0.87700906
  H     -0.48140404     -3.37332530      4.34863557
  O     -1.61854349      2.61838768      4.87938337
  H     -0.58251076      1.17580786      4.34820588
  H      0.04585891     -4.51050003      3.44331892
  O     -0.76165275     -4.11705291      3.79387290
  H     -0.97936744      0.00906469      3.40461347
  H     -0.02291712     -1.13784501      4.95763680
  O      0.03321234     -1.98889686      5.41578663
  H     -1.51994675     -3.56350602      2.24254581
  H     -0.68548772     -1.97916516      6.06057075
          69
 Energy    -248.52245643325813     
  O     12.70008413      9.34565411    -10.43256894
  H     12.32491052      8.65384586    -10.98938436
  H     10.83556964     10.95174235    -15.11719824
  O     15.36481508      9.94919086    -13.17608378
  H     12.37913677     10.17146804    -10.81724374
  H     15.90588275     14.05537117    -14.07778756
  O     17.75750797     13.77189424    -13.83159395
  H     14.98876949     10.75707355    -12.80071944
  H     14.87095893     13.33200518    -14.97962168
  O     16.61442396      6.39998674    -14.14716912
  H     16.22758009      9.84728694    -12.75905433
  H     17.68244003     11.17431739    -15.85895888
  O     11.85302428     11.46448313    -12.08762971
  H     17.72484146     13.15358304    -14.58578783
  H     16.55214043     12.15485769    -16.26498669
  O     12.33104241     14.78464169    -14.70397793
  H     18.45047625     14.39848219    -14.02063838
  H     18.31761567      8.98111749    -14.89015414
  O     14.62671422     12.21525040    -16.40395963
  H     17.41022799      6.84726941    -13.83063049
  H     17.35132051      8.79928655    -16.07371682
  O     15.27322111      8.60688460     -9.82153537
  H     15.93519626      6.57557210    -13.48347648
  H     17.53082039     12.78366572    -12.22025627
  O     14.47948826     12.31315259    -12.04718550
  H     11.87316290     10.86123709    -12.84468298
  H     16.27359356     12.34707817    -11.45463280
  O     14.27752655      9.56641480    -15.62436672
  H     11.29497999     12.20810304    -12.34680155
  H     11.78982543      8.83979280    -13.73374586
  O     18.75806020      8.04488608    -13.25638555
  H     12.24588515     14.40681905    -15.58810659
  H     12.65425530      9.58567896    -14.79019932
  O     10.45531362     11.76297084    -15.47965031
  H     13.25781523     14.66221149    -14.45830580
  H     16.16693094      7.03351799    -15.71398210
  O     14.96010724     13.93917388    -14.22939049
  H     13.80107945     12.56282607    -16.76342003
  H     16.06403422      6.90465530    -17.25305008
  O     17.45018078     12.11251403    -15.91720982
  H     14.47383400     11.27938975    -16.21284594
  H     11.65329163     13.40501134    -17.92680010
  O     17.99063085      9.40938375    -15.68918651
  H     15.30797442      8.41334039     -8.88818487
  H     11.47685809     12.64918173    -16.58793303
  O     17.23739539     12.26834291    -11.45849888
  H     14.38543849      8.96869123     -9.99316520
  H     12.95017812      7.27485824    -12.48900219
  O     11.85698088      9.65445674    -14.24582425
  H     13.53889774     12.11155124    -11.96633496
  H     11.58058567      6.55574806    -12.48331292
  O     15.95801428      7.51910074    -16.53197777
  H     14.57761843     12.93805397    -12.78033254
  H     16.81562922      9.27445020    -10.77216815
  O     12.08538050     13.21254268    -17.09908624
  H     14.74852012      8.84835842    -16.06332092
  H     17.54091813     10.54250174    -11.32558426
  O     11.98879568      7.41758329    -12.50668542
  H     14.75690924      9.73970748    -14.79714604
  H      9.75762233     14.20038156    -12.94330510
  O     17.50584729      9.57297692    -11.37656961
  H     19.67179174      7.88087294    -13.03664371
  H     11.09798748     14.06837281    -13.70555848
  O     10.40778889     13.56710742    -13.23429312
  H     18.38911499      8.57880301    -12.53250643
  H     14.85369903      8.27310132    -12.70911721
  O     14.72579729      7.39846719    -12.30824234
  H     10.27569012     12.33414734    -14.72274088
  H     14.96271969      7.52509438    -11.38138420
          69
 Energy    -248.52236929542528     
  O     19.64918767      9.76435361     -7.26505857
  H     19.98862402     10.37884906     -6.61982229
  H     18.06502350      9.80686052     -8.20154753
  O     18.13411349      5.16236822    -10.26212177
  H     20.21803074      9.83893424     -8.05248695
  H     20.73162083     10.54581333    -10.23054045
  O     16.77466363      5.65536246    -13.99909929
  H     17.33168320      4.91877870    -10.73941008
  H     21.27642702      9.12430248    -10.00450434
  O     17.65377766      8.17701749    -13.31940192
  H     18.21351065      6.12656661    -10.35257014
  H     16.04018774     10.32782828    -12.06706851
  O     15.67102946      4.94658934    -11.55939758
  H     16.53829008      5.06977900    -14.71379565
  H     14.82367926     10.27668650    -13.02446062
  O     20.28222553      9.17981304    -13.26117653
  H     16.35626193      5.29287104    -13.20263518
  H     13.16833467      6.67054976    -10.39699060
  O     21.62531608      5.85128629     -7.80316742
  H     17.37865297      7.30389414    -13.63457301
  H     12.81905300      5.22144658    -10.01364998
  O     14.65600985      4.42579259     -7.48312772
  H     16.86046538      8.71834992    -13.22610728
  H     16.09775832      7.08405705     -8.03043373
  O     21.06980640      7.56868675    -11.04746401
  H     15.06533258      4.36630951    -11.08270650
  H     14.65600700      7.62111878     -7.82497412
  O     18.36019749      7.84641960    -10.64598429
  H     15.38366933      5.85488484    -11.37613070
  H     14.95508418      8.27103093    -11.46736139
  O     19.30733910      6.97315381     -6.69212844
  H     20.71256031      8.55461826    -12.66361340
  H     15.08686167      7.67747336    -10.02749379
  O     17.34752296      9.76795563     -8.84652740
  H     19.40003185      8.82362441    -13.43656416
  H     20.42236335     12.16575316    -12.17120274
  O     21.08472081      9.95633838     -9.55259751
  H     21.39619113      5.42826397     -8.64262044
  H     20.10842103     10.66396764    -12.35932790
  O     15.43786648      9.72769929    -12.54488553
  H     22.43533471      6.33014552     -7.96870642
  H     17.50442875      5.36524742     -8.52925710
  O     12.51811690      6.13401564     -9.92282663
  H     14.09108415      5.17235773     -7.25129266
  H     17.88376600      6.09613359     -7.21611226
  O     15.50495446      7.82277221     -8.23582265
  H     15.56489917      4.75421016     -7.43367189
  H     12.73719420      6.59852177     -8.23574534
  O     14.78110841      7.49220288    -10.92673887
  H     21.19827409      6.62668628    -10.90098005
  H     12.26884925      7.07858711     -6.83978790
  O     19.98512708     11.42334866    -11.76195492
  H     20.12874981      7.72572370    -10.86228391
  H     17.20294966     10.84214714    -10.28760295
  O     17.15023156      5.66699160     -7.68360117
  H     18.06918278      8.02422286    -11.55118306
  H     18.12488008     11.36418243    -11.40934291
  O     13.03869899      6.81280184     -7.33466493
  H     18.03419067      8.54531586    -10.06818522
  H     21.09963537      3.97689043    -10.74841224
  O     17.19933408     11.22338802    -11.17794637
  H     20.12720008      6.56031728     -6.99715889
  H     19.88274678      4.81928971    -10.30679007
  O     20.85468394      4.79189825    -10.31781644
  H     19.42094530      7.92018535     -6.82789575
  H     14.16731824      3.81310392     -9.03366573
  O     13.85438696      3.57823482     -9.92648023
  H     16.65794913      9.18304699     -8.50296101
  H     13.49180339      2.69873520     -9.86738851
          69
 Energy    -248.52228300169591     
  O     12.14855035     11.03487777    -13.92738744
  H     12.57057053     10.92473684    -13.06466157
  H     15.33164477      5.82167032    -11.51513359
  O     14.19266591      6.63829518    -17.92293186
  H     12.87597344     11.08689369    -14.55954031
  H     14.53717773      8.22507282    -13.83653199
  O     13.75048267      5.46068531    -12.29825595
  H     14.06713709      6.63386948    -18.86792186
  H     13.71867170      8.76188650    -12.63618774
  O     12.99465491      4.74472505    -16.12786844
  H     13.67531272      7.38568699    -17.57262695
  H     14.88517370     11.48720064    -16.19535290
  O     12.80943763      8.69158290    -16.83158541
  H     12.84857345      5.15451609    -12.15343829
  H     15.02472436     10.16806089    -15.40230449
  O     15.20720196      7.96619165     -9.34846769
  H     13.69786022      6.37724680    -12.61435156
  H     10.48150517      4.06263695    -11.96258154
  O     19.77606354      7.91502983    -13.29497454
  H     13.74695046      4.44341201    -15.60508442
  H     10.88679916      5.04116343    -13.09502765
  O     11.32267015      8.43857514    -14.34715700
  H     13.36238938      5.31388944    -16.81396059
  H     10.78200630      7.94664430    -12.45513414
  O     17.54978847      4.29000156    -12.69759249
  H     12.16108427      8.56451217    -16.13098851
  H     10.79283935      6.62209871    -11.66961227
  O     18.73223827      5.87678400    -14.76489778
  H     13.31414593      9.47485810    -16.57887929
  H     16.03809535      4.14735565    -13.90405230
  O     16.23662473      6.41085678    -16.02428677
  H     14.24809048      8.06815323     -9.38436806
  H     14.63167236      4.72257416    -13.67228739
  O     16.17650823      6.13481322    -11.15973267
  H     15.56745172      8.81801556     -9.62184140
  H     10.82577983      6.59867734    -14.73262473
  O     13.81002689      8.01223932    -13.23989498
  H     20.70610706      8.03920045    -13.45925381
  H     11.53212694      5.31113269    -15.24711846
  O     14.38172313     10.80158052    -15.76343850
  H     19.49007351      7.19298636    -13.88170667
  H     11.85134263      8.81278337     -8.86812262
  O     11.01840923      4.82642429    -12.15149827
  H     11.35477837      9.40276932    -14.25696110
  H     11.81223520      8.20622530    -10.28771702
  O     10.81209064      7.58229667    -11.56459502
  H     12.19108605      8.14165377    -14.03024599
  H     16.15555940      8.02519401    -15.24875539
  O     15.23102777      4.40355002    -14.36416188
  H     17.95480403      3.60639680    -12.16935282
  H     16.53670449      8.78444578    -13.93888644
  O     10.80743956      5.63629245    -14.69117375
  H     17.15802023      4.92544782    -12.07558510
  H     14.45670648     10.42181010    -11.28405881
  O     12.39791931      8.61121232     -9.62353780
  H     18.40324322      5.26894914    -14.09035891
  H     13.10168615      9.81370567    -10.83838201
  O     16.00638179      8.83843525    -14.74507574
  H     17.98326554      6.06640855    -15.34368414
  H     16.85060360     10.98434971    -10.38546249
  O     13.55116695     10.25158956    -11.57390090
  H     15.64550194      6.48185723    -16.78447127
  H     16.66966832      9.73411621    -11.27918976
  O     16.20838431     10.34202342    -10.67546150
  H     15.86448496      5.72295115    -15.45316865
  H     18.22948705      8.31300323    -12.58098369
  O     17.31018659      8.46435054    -12.31345474
  H     15.93955796      6.68946908    -10.40211583
  H     16.94965918      7.63339068    -11.97705519
          69
 Energy    -248.52209499431302     
  O      6.90828789     11.70073120     -5.67173392
  H      6.37455843     12.49578871     -5.80039854
  H      3.63661889     12.22343610     -1.44251989
  O      5.09365363      9.46049314      1.50141302
  H      7.60642750     11.94922757     -5.05304030
  H      6.22890849     10.58571896      0.49948765
  O      2.75112664     12.60933983     -5.43560913
  H      4.23882202      9.89304662      1.32336861
  H      6.00504090     11.19176077     -0.89423721
  O      6.72637902      8.03650013     -2.92234748
  H      5.09027656      9.21394470      2.42177597
  H      3.81978299     16.56152488     -4.80822753
  O      5.16935597     13.93990332     -5.53393556
  H      2.76272325     11.67674404     -5.67948997
  H      4.37843255     17.40017689     -5.98452182
  O      4.91371230     11.49751588     -2.39735725
  H      2.30171683     12.66567346     -4.58013728
  H      5.91504543     13.96433276     -3.90383994
  O      2.07977289      8.58641514     -1.18872203
  H      6.07047817      8.01830632     -2.20113519
  H      7.17590333     13.49107748     -3.11969820
  O      2.86594334      9.81924437     -5.72948526
  H      7.05701743      7.14705008     -3.01388586
  H      8.61688961     11.67178187     -3.04867598
  O      1.28323098     12.78314390     -3.06874505
  H      4.92313411     14.85330698     -5.72346619
  H      9.59452849     12.73279738     -3.60678338
  O      1.28594331      9.97800432     -3.35887708
  H      4.34205802     13.43651158     -5.49617347
  H      3.92459221      8.17752546     -1.12488352
  O      0.55982328     15.42702273     -3.70029472
  H      5.41260858     12.28104553     -2.66691556
  H      5.04948411      8.43318094     -0.10864089
  O      3.03243167     12.79420713     -0.93777858
  H      4.97616890     10.86099640     -3.11734916
  H      1.96091503     14.18422749     -6.10971186
  O      6.65649171     11.11495362     -0.18377836
  H      1.79419980      9.07923051     -1.97772999
  H      2.43553877     15.64509908     -6.20710032
  O      4.09726766     16.52243208     -5.74215682
  H      1.41255135      7.92354068     -1.02910806
  H      5.31729230     14.69526366     -1.78021883
  O      6.29129035     13.86492723     -3.01639332
  H      3.75344564      9.72915948     -5.33861719
  H      5.19047526     15.45852016     -0.44405691
  O      8.67246711     12.49545636     -3.56760749
  H      2.83436578      9.23777038     -6.48420574
  H      7.90507904     10.54208968     -1.33455008
  O      4.86615312      8.03484055     -0.96809077
  H      1.82403647     12.82342583     -2.26666594
  H      7.93004731      9.46312843     -2.43195733
  O      1.64274305     15.09536679     -6.17569274
  H      0.90433686     13.66018452     -3.20075160
  H      2.41158251      9.90985816      0.11951828
  O      4.68090575     15.10588164     -1.16982207
  H      1.75164263      9.86053780     -4.19522910
  H      2.75027425     11.40582467      0.29728296
  O      8.39006600     10.25056542     -2.12257795
  H      1.13811933     10.92735003     -3.25854094
  H      2.28450514     16.13442808     -3.19586973
  O      2.72916460     10.55900983      0.76093336
  H      0.84878818     15.35248114     -4.62792291
  H      3.64147837     16.04539069     -2.44614069
  O      3.19103674     16.46484819     -3.18852123
  H     -0.27015389     15.89618100     -3.70580326
  H      5.83842918      9.10681169     -4.11097163
  O      5.31963324      9.75974381     -4.59684960
  H      3.48969123     13.63815740     -0.85210940
  H      5.92775732     10.38001649     -5.02959882
          69
 Energy    -248.52203666242207     
  O     19.70172372     11.07686406    -10.87731194
  H     19.36751157     11.03240666     -9.96826933
  H     18.57595835     11.08941190    -12.31261023
  O     18.90451921      6.80402848     -9.33973538
  H     20.64264515     11.28437597    -10.83926897
  H     22.56037023     10.44948970    -10.20219696
  O     20.78337023      5.29943909    -13.11483515
  H     18.21346042      6.22195960     -9.69758207
  H     23.10774783     11.86312755    -10.50812558
  O     22.54572101      9.07516699     -9.12226731
  H     19.24778484      7.34935379    -10.06783121
  H     19.24954810      7.72674484    -12.89563679
  O     16.95553093      5.42241196    -10.52737551
  H     20.13346141      5.94396427    -13.44133520
  H     19.32735293      8.10027506    -14.38074535
  O     22.47795856      7.45718363    -12.38196949
  H     20.75960961      4.55903729    -13.71592456
  H     20.89903834      5.08169245    -11.17780870
  O     20.31794873      8.31755793     -7.50503621
  H     22.94516852      8.22135422     -9.32697740
  H     20.32236561      5.56161236     -9.83120781
  O     14.22007371      7.80158944     -9.03949947
  H     21.80783118      8.88340481     -8.53070385
  H     14.68940699      6.32514759    -12.74465211
  O     23.42974920      6.49539465     -9.91596695
  H     16.82695089      5.85387487    -11.38335212
  H     13.49660601      7.12427620    -12.19298952
  O     19.92596473      8.33515479    -11.33983511
  H     16.07204798      5.19881244    -10.21271855
  H     16.68574838      9.94917396    -12.29761715
  O     18.74932137     10.59181063     -8.36533905
  H     22.96412233      7.16924217    -11.59942907
  H     16.37098886      9.26779038    -10.91773762
  O     17.99318386     10.85467433    -13.04969650
  H     22.03436530      6.67540294    -12.73464667
  H     16.32772444      7.73667480    -12.55246677
  O     22.50140691     11.19795466    -10.82280970
  H     20.29269252      7.96380376     -6.61887840
  H     17.32821336      6.92335251    -13.39636478
  O     19.10667140      7.37164278    -13.78785677
  H     19.80029185      7.71202252     -8.06025192
  H     22.31005039     10.53709512    -12.62544559
  O     21.09418381      5.14874286    -10.23489056
  H     14.18293700      6.85164298     -9.20719751
  H     22.39807080      9.10836812    -13.17568265
  O     13.79867769      6.22618494    -12.38118867
  H     13.78689596      8.21544568     -9.79640035
  H     17.37151577      8.05966540     -9.17672159
  O     16.06192065      9.37668115    -11.82751709
  H     24.13551499      5.92275828     -9.62877857
  H     15.87651615      8.45880666     -9.00580927
  O     16.49962692      6.85200553    -12.90930162
  H     22.61994823      5.95455128     -9.94753327
  H     14.30269175      9.18716571    -11.71742799
  O     22.15247264     10.01239988    -13.41857610
  H     19.82647287      9.28747649    -11.20792136
  H     12.84022887      9.68101073    -11.78958092
  O     16.76417432      8.80625190     -9.18371306
  H     20.84801552      8.16082947    -11.56420474
  H     20.06666985     10.19610594    -15.79812772
  O     13.37798320      8.92799026    -11.55958405
  H     17.93401353     10.10966662     -8.56599196
  H     20.72024191      9.92553709    -14.42381144
  O     19.90981722      9.79406948    -14.94794700
  H     19.32517014      9.94736479     -7.93880871
  H     13.98569378      5.41287013    -10.83463893
  O     14.19719751      5.08710480     -9.94090833
  H     18.57193602     10.55000462    -13.75640508
  H     13.62204091      4.34537212     -9.77531451
          69
 Energy    -248.52160839553096     
  O     12.08861807     11.58801100    -10.82309471
  H     12.44888116     12.10780243    -11.56613522
  H     16.30821682      8.53515380     -7.39668371
  O     17.55684330      8.62021968    -13.86944609
  H     11.60931574     12.19518956    -10.26634678
  H     13.59505538     10.63076859    -10.43001545
  O     11.21155209      9.57139102    -12.61081648
  H     17.61022306      7.92610806    -13.20415001
  H     14.37385977      9.25714448    -10.40973956
  O     17.34643688      7.28681024    -11.40563796
  H     16.89552660      9.23979739    -13.51987999
  H     19.14748790      8.63081710     -8.98084514
  O     18.62484581      9.58385315    -10.49260566
  H     11.29722408     10.08165795    -13.42575321
  H     18.46548400      8.52527941     -7.61140263
  O     20.00620194     11.60244723    -11.87003011
  H     11.40242245     10.19650230    -11.90041893
  H     16.36016958     12.81897274    -14.26788609
  O     16.73881501     11.12289624     -9.15257109
  H     17.59879048      6.63051126    -10.74558567
  H     16.47191908     13.05354129    -12.71436854
  O     12.69387843      7.31086377    -12.90746219
  H     17.78127545      8.11190654    -11.13738647
  H     18.51412055      6.55666421     -8.71898881
  O     16.29432746      9.53857673    -16.21481735
  H     19.19553276     10.19549408    -10.97176268
  H     18.51649580      5.01396083     -8.84411596
  O     13.90300791      9.08914742    -14.77172735
  H     17.95401806     10.12638227    -10.05309695
  H     15.18867394     10.22984193    -12.01895182
  O     11.99464268     11.04406933    -14.95238692
  H     20.90880135     11.90789735    -11.86355610
  H     15.67548803     11.19992694    -13.12076948
  O     16.78996416      9.27927133     -6.99297744
  H     19.79952352     11.34470334    -12.78680932
  H     18.80351401      9.95206774    -14.17770983
  O     14.46370964     10.21861666    -10.34891542
  H     15.89138753     10.86546656     -9.54825198
  H     18.66153239     11.32662596    -14.85946510
  O     19.13143895      8.10421685     -8.16894712
  H     16.79294370     10.64432014     -8.31630091
  H     16.83152858     11.21736844    -16.03286457
  O     15.85442024     12.95299342    -13.45718237
  H     12.11838894      8.08020042    -12.74324917
  H     17.34227767     12.53452965    -16.65856321
  O     18.02815365      5.79573916     -9.08597998
  H     12.11891007      6.56016797    -13.03339753
  H     15.51055912      7.42182193    -11.14105498
  O     15.54349931     10.26524819    -12.91487896
  H     16.84441193      9.05341177    -15.58386292
  H     13.99858504      7.34335887    -11.54507980
  O     19.25641052     10.79574046    -14.31802705
  H     15.38849753      9.32675431    -15.95752521
  H     18.41135686     12.57412338    -11.46353206
  O     17.18729434     12.09913756    -15.82401168
  H     14.47908433      9.53184339    -14.12655171
  H     17.23965617     12.46847442    -10.47383188
  O     14.60333199      7.51502308    -10.81407065
  H     13.53044387      8.33262859    -14.30523178
  H     12.72855032     12.34755007    -13.74961115
  O     17.52733981     12.91484695    -11.27930433
  H     12.68296967     10.35907469    -15.00295745
  H     14.01361460     12.99543238    -13.16960422
  O     13.07544296     12.84075314    -12.99625326
  H     11.64840990     11.15388385    -15.83414794
  H     16.37956461      6.53638480     -8.42814325
  O     15.63909794      7.11431962     -8.20377756
  H     16.50271625      9.32936159     -6.08509525
  H     15.12851018      7.20175623     -9.01832636
          69
 Ord_Energy   -248.521545    
 O   -3.85069895       4.70844269      -1.02599967    
 H   -3.65225244       4.29391813      -1.87373769    
 H   -2.99942303       4.77960920     -0.572269678    
 O   -2.46702456       1.63034439      -4.90930304E-02
 H   -1.87095404       1.24055922     -0.700788438    
 H   -3.37612915       1.48661292     -0.335052729    
 O    1.96317112       2.30531287      0.648906350    
 H    1.36802983       2.68124461       1.30650735    
 H    1.74469471       1.36516023      0.591763020    
 O   -4.09886169      0.801396072      -3.14053488    
 H   -4.65186691      0.943385184      -2.35955691    
 H   -3.66161537       1.64540958      -3.30373216    
 O   -1.14633214      -1.03344727       2.02531147    
 H   -1.40374959     -0.210748062       2.45969391    
 H   -1.86145151      -1.25415075       1.41057909    
 O   -1.38474572       4.16838217      0.138474390    
 H  -0.849758863       4.11820745      0.937528253    
 H   -1.83907294       3.31217003       7.31538609E-02
 O   -4.74597549       1.83330142       2.85686636    
 H   -5.03098583       2.50587773       2.22661018    
 H   -5.01070786      0.986548007       2.47566271    
 O    1.00050298E-02   3.38439918       2.49194884    
 H   0.210640907       3.80361819       3.32518363    
 H  -0.684919059       2.72886944       2.66955113    
 O   0.987888396     -0.301869184      0.317318738    
 H    1.22147751      -1.16884136      -4.59145606E-02
 H   0.285323352     -0.469977528      0.958103895    
 O   -2.02378774       1.52664518       2.64645195    
 H   -2.92465448       1.67452955       2.96529889    
 H   -2.11766315       1.50693440       1.67980552    
 O   -1.06504631      -3.58871031      -2.22477365    
 H   -1.02548504      -4.01562166      -3.07714510    
 H   -1.56307137      -2.76394010      -2.35110450    
 O   -2.20993495      -4.34590960      0.282859802    
 H   -1.81277895      -4.26091242     -0.594443977    
 H   -1.48213303      -4.27424145      0.913549840    
 O  -0.494166791      0.707946360      -1.78545928    
 H   0.133297786      0.423682183      -1.10629308    
 H  -0.281951964       1.61257434      -2.04422283    
 O   -2.82468462       3.39613700      -3.40933394    
 H   -1.89543319       3.41484880      -3.12746835    
 H   -2.85462451       3.83434892      -4.25748062    
 O   -2.37572265      -1.16715074      -2.33407283    
 H   -1.61003280     -0.582815707      -2.22375250    
 H   -3.06198907     -0.611588657      -2.73044634    
 O   -5.22718716       1.24735832     -0.631394207    
 H   -5.49672365       2.08436513     -0.230623588    
 H   -5.40730953      0.559510827       2.18878202E-02
 O   -3.19870353      -1.80292511      0.280796021    
 H   -2.98600841      -2.74716496      0.333145440    
 H   -2.98504901      -1.51614785     -0.616524339    
 O  -0.276956707       3.46433949      -2.32499313    
 H  -0.578020215       3.82065916      -1.47666955    
 H   0.690172791       3.51807022      -2.30879474    
 O    1.15620542      -2.91372657     -0.505659103    
 H   0.484274864      -3.15943575      -1.15296113    
 H   0.855393291      -3.27811551      0.336451858    
 O   -5.63146639       3.64960670      0.729385138    
 H   -5.01271439       4.09364605      0.122488298    
 H   -6.37073660       4.24144745      0.843200505    
 O    2.38850856       3.40241170      -1.82165098    
 H    2.30512786       3.03875399     -0.922821462    
 H    3.31458092       3.35731506      -2.04091883    
 O   -5.36986542     -0.627299488       1.44626904    
 H   -4.60031462      -1.09425795       1.07773769    
 H   -6.00387669      -1.29670668       1.69134319    
 O   -6.41994998E-02  -3.58697152       2.01675558    
 H   0.309495419      -3.86595106       2.84889364    
 H  -0.404388368      -2.68693304       2.15128446    
          69
 Energy    -248.52145667799198     
  O     -1.59939493      4.72191778      2.29592870
  H     -1.14311433      4.18729077      2.95954655
  H      1.40642586      1.81224295      1.35239781
  O     -2.87453992      5.62543669     -1.11050175
  H     -2.18348432      4.13605657      1.79299142
  H     -0.04163097      3.70002797     -2.43831429
  O      4.54670413      6.53271745      0.74144173
  H     -2.80521810      6.27847376     -0.40405983
  H     -0.20654236      2.29031771     -1.79647510
  O      2.01143174      7.02331932      1.85450315
  H     -1.99232732      5.56655122     -1.50692033
  H      0.87763464      7.98660726     -1.40454806
  O     -0.25734018      5.38390991     -1.92278630
  H      5.33934846      7.04142190      0.59441117
  H      1.25130979      8.46991056     -2.82786911
  O      2.55829112      2.90176628      0.40141543
  H      4.19538321      6.29924849     -0.13634146
  H     -3.93430721      0.65721994     -1.54296208
  O      0.65147206      4.92103438      0.60954609
  H      2.91839047      6.96883460      1.52707644
  H     -3.53227279     -0.75957649     -2.01231219
  O     -2.24131856      7.17747931      1.18955066
  H      1.96739207      6.48426419      2.66030243
  H      2.80589807      4.74819329      3.44963723
  O     -1.16883041      1.47881529     -0.42561075
  H      0.08103038      5.22488703     -1.02592631
  H      1.35974150      4.45915285      3.91346611
  O     -3.08896432      3.32121371      0.43855931
  H      0.18769253      6.17838370     -2.23985671
  H     -3.96436233      4.58112822     -2.29870039
  O      0.23419678      8.31200359      0.17416624
  H      2.80648233      2.88298916     -0.52855846
  H     -3.68914529      3.35139082     -3.20573693
  O      0.60778019      1.47009913      1.77745729
  H      1.89336761      3.60359765      0.48276166
  H     -2.62146838      1.38325465     -3.28288219
  O      0.14723542      2.75700009     -2.56659869
  H      1.15964555      5.65489701      0.98221707
  H     -1.47854737      2.37443892     -3.53853426
  O      1.22755430      7.69895985     -2.26813943
  H     -0.09739727      4.77512344      1.19939251
  H     -0.07944386      2.55899730      4.67096440
  O     -3.19335777      0.12039502     -1.86705080
  H     -2.74749791      7.72190082      1.78849296
  H      0.21326147      2.45035095      3.15582323
  O      2.01731932      5.15734667      3.83993061
  H     -1.99425256      6.37892916      1.68491097
  H      3.34960957      2.72035535     -3.07081981
  O     -4.38355765      3.81993976     -2.71724090
  H     -1.73747475      0.84804832     -0.88350568
  H      1.92017144      2.98246217     -2.54724324
  O     -2.39521427      2.18311361     -3.77137024
  H     -1.76324739      2.16248965     -0.08549659
  H      4.43662051      4.94917210      1.85412378
  O     -0.02894710      3.07004415      3.86765260
  H     -3.04130160      4.09817679     -0.13953642
  H      3.71291404      3.60712384      1.70257610
  O      2.85654283      3.20451114     -2.41301293
  H     -3.85526916      2.81420573      0.14885880
  H     -6.07614883      1.91588330     -0.83045599
  O      4.15449474      4.17175015      2.35107601
  H      0.87237509      8.00581601      0.83597675
  H     -4.95419488      2.62108370     -1.63673992
  O     -5.13435141      1.92503229     -0.97544210
  H     -0.62441033      7.99181998      0.47080297
  H      2.69518764      6.52028373     -1.92628718
  O      3.40968183      5.93656301     -1.64474730
  H     -0.02001015      1.33237400      1.05748381
  H      3.19914968      5.05054305     -1.96081408
          69
 Ord_Energy   -248.521439    
 O   -6.54343557     -0.817022800       4.35746002    
 H   -6.65522814       2.65562292E-02   4.81501532    
 H   -5.65574789     -0.779662371       3.97712326    
 O   -4.81778574       2.63364863       9.37967682    
 H   -4.40379477       3.20749092       8.72197533    
 H   -4.09514570       2.18309665       9.83389378    
 O   -1.76943660      -2.41518641       7.80679941    
 H   -1.23659563      -2.00400257       7.12209320    
 H   -2.43992472      -2.93112326       7.33311462    
 O   -1.55465662       5.52692556       6.06630945    
 H  -0.841391146       4.99246693       5.69675827    
 H   -2.12189507       5.75935793       5.31984663    
 O   -2.55980754       1.22250950       10.4226046    
 H   -2.80007672      0.285986841       10.2882843    
 H   -2.11864161       1.27830517       11.2649393    
 O   -1.41101825       4.14495754       2.56975603    
 H   -2.04645491       4.80249643       2.88047743    
 H  -0.706644475       4.12647486       3.23071146    
 O   -3.40903187       5.73512936       3.87712908    
 H   -4.03154087       6.40417480       3.60377312    
 H   -3.93243003       4.96900082       4.16614103    
 O   0.376434237       3.79162335       4.79929543    
 H    1.32579398       3.86005664       4.86863613    
 H   0.147572979       2.87573242       5.02570963    
 O   -3.76862645     -0.568437696       3.91462231    
 H   -3.80508614     -0.450718582       4.87827539    
 H   -3.39623094      0.252811819       3.56621575    
 O   -2.25338411      -2.79031587       3.80634165    
 H   -2.82837057      -2.00640368       3.74374390    
 H   -2.27305388      -3.21831465       2.95445609    
 O  -0.538511097       1.25039732       5.43481112    
 H  -0.944344461       1.39543712       6.30402565    
 H  -0.365675539      0.303875417       5.36396170    
 O   -3.23089433      -1.28647602       9.84692287    
 H   -2.64237237      -1.71049595       9.20388985    
 H   -4.12467194      -1.37960470       9.49448204    
 O   -3.65218449      -3.68152595       6.19508743    
 H   -3.27421856      -3.50357223       5.32659435    
 H   -4.58193684      -3.43068957       6.15259123    
 O   -3.92473269       7.17732906E-02   6.57449484    
 H   -3.21072340      0.548434019       7.01331282    
 H   -4.36283684     -0.470398605       7.24278355    
 O   -6.22270632       1.51066971       5.94520903    
 H   -5.38851786       1.05162370       6.13431740    
 H   -6.68664074       1.53768826       6.79005575    
 O   -6.41923428      -2.81279635       6.20554924    
 H   -6.52314472      -2.13328552       5.51721382    
 H   -7.12308788      -3.44385958       6.07891130    
 O   -2.55271268       1.85386789       3.55813622    
 H   -2.18520737       2.58300614       3.03896356    
 H   -1.87818205       1.61076736       4.20704794    
 O   -1.91792977       1.65773475       7.74119329    
 H   -1.97790349       1.47387838       8.68640900    
 H   -2.39954185       2.48472905       7.58853769    
 O   -7.00967026       1.24839532       8.63850212    
 H   -6.24026012       1.76388669       8.94534779    
 H   -7.74629545       1.50256515       9.18725491    
 O   -4.56870842       3.38286853       4.75711727    
 H   -3.91316319       2.80238771       4.34317350    
 H   -5.29531097       2.82538128       5.06483698    
 O   -3.41751504       3.92017365       7.27837849    
 H   -3.89697075       3.72674680       6.46261311    
 H   -2.73841643       4.56596899       7.03405666    
 O  -0.279298365      -1.55182445       5.37174892    
 H  -0.918823600      -2.02019954       4.81350899    
 H   0.496837407      -2.10742068       5.41517735    
 O   -5.62774706      -1.22876263       8.39575386    
 H   -6.01187086      -1.81735432       7.73342943    
 H   -6.21050310     -0.465576470       8.49948311    
          69
 Energy    -248.52127457956641     
  O     11.71745726     12.00082725    -12.05747453
  H     11.17542460     11.75115466    -12.81636296
  H     18.03659031      6.46710597    -14.60839910
  O     13.36131787      7.51442497    -15.08036620
  H     12.63134308     11.99137349    -12.37077194
  H     17.19127173     12.76769379    -14.79839439
  O     17.88151007      8.50973345    -11.24480293
  H     13.86133028      7.08396919    -15.78746590
  H     16.83621048     11.26294040    -14.86175398
  O     12.79055926     10.21658134    -15.21282296
  H     14.04644419      7.79851760    -14.45268752
  H     15.40791622      8.74936339    -12.69586238
  O     14.18729581      6.02895832     -9.54409166
  H     17.63566387      7.70144392    -10.77718511
  H     16.05898709      8.62013537    -14.09560464
  O     12.04578541      6.95408381    -12.72318441
  H     17.11953840      9.09834101    -11.16746203
  H     10.63267954     10.66001092     -9.38279754
  O     15.37480046      9.85970354    -11.27601014
  H     11.87532302     10.40832079    -14.97441413
  H     11.29808816     10.92068832    -10.75674468
  O     16.42585458      9.09901280    -17.68497878
  H     12.89101255      9.25505827    -15.25106045
  H     10.57440004      8.06430130    -12.51135137
  O     13.30305819      4.65061125    -11.70684815
  H     15.14722495      6.10017035     -9.60652847
  H     10.18739688      9.19497398    -11.53240260
  O     17.33238451      9.57320876    -15.08345570
  H     13.83237819      6.90952749     -9.73117199
  H     18.62799859      8.13040267    -12.79202677
  O     15.33437639      6.60504524    -16.75827256
  H     12.39796822      7.08423955    -13.61534338
  H     19.95891262      7.84338521    -13.52351278
  O     17.42398952      5.83063937    -14.99270732
  H     12.34725983      6.08666584    -12.42712318
  H     15.67261326      6.47529443    -12.98569784
  O     16.45795084     12.15862962    -14.82124052
  H     14.61751750      9.39265982    -10.89390106
  H     14.94620338      5.17890240    -12.50925510
  O     15.43849942      8.19956946    -13.48819127
  H     15.01170739     10.54527276    -11.85476060
  H     17.53789467      5.28349080     -9.97287367
  O     11.04141672     10.22420065    -10.12526694
  H     16.74034563      9.21481936    -18.57757353
  H     16.63845582      5.78038807    -11.12943615
  O      9.95562102      8.79580437    -12.37968912
  H     15.78727818      9.81503733    -17.51617086
  H     14.00312732     10.85443361    -16.45083577
  O     19.01741310      7.91227871    -13.65783888
  H     12.97616358      3.77842421    -11.50412188
  H     15.30281859     11.67006376    -16.33747575
  O     15.81252550      5.56168880    -12.69047856
  H     13.57219681      5.05929974    -10.86377281
  H     12.42228593      9.02370224    -10.27603365
  O     16.97905569      6.00710829    -10.24638657
  H     17.16332889      9.29444421    -15.99379974
  H     12.78747009      7.96460634    -11.34644386
  O     14.78395626     11.13469590    -16.94880446
  H     18.03485700      9.02775065    -14.70590747
  H     15.00169634     11.90927283    -13.68025956
  O     13.11861515      8.41658661    -10.55759321
  H     16.06450699      6.26696879    -16.22084719
  H     13.75894281     11.01397996    -13.86395861
  O     14.24994696     11.53120959    -13.20823269
  H     15.67432341      7.40014108    -17.18451670
  H      9.40671940     10.99758260    -14.60946856
  O     10.24032107     10.78022470    -14.20147778
  H     16.91137039      5.50186553    -14.24235297
  H     10.07344948     10.03531756    -13.59606064
          69
 Energy    -248.52064497400494     
  O     15.69772546      9.60735290    -16.28261501
  H     16.27208316      9.72912426    -15.51684832
  H     18.53044281      6.26272796    -17.55116178
  O     13.86718916      3.61288993    -16.26231496
  H     14.85923180      9.26604502    -15.95108788
  H     17.25406086      6.57106232    -16.00878314
  O     17.74243419      5.39880166    -11.95734714
  H     14.79569006      3.35774770    -16.22385384
  H     16.50748679      6.63860118    -14.64104882
  O     17.97197818      4.61174023    -18.11237054
  H     13.85378927      4.50279488    -16.64322384
  H     12.37935333      8.93139009    -15.33832984
  O     13.53494077      6.52266015    -10.23824352
  H     17.26422637      6.17696196    -12.28400876
  H     13.28034793      8.02330306    -14.47571953
  O     13.74084782      4.40141310    -13.63432324
  H     18.61451672      5.42380396    -12.36759423
  H     14.10044663      2.88483093    -10.61416544
  O     16.31894689      7.46949631    -13.01991588
  H     17.26449170      5.06957524    -18.59641902
  H     14.80790806      1.68623745     -9.93634119
  O     16.73771002      3.45210728    -15.58502598
  H     17.52560792      4.00446386    -17.51548451
  H     15.01084779      6.29016946    -16.45593203
  O     12.71781199      3.86941334    -11.08459065
  H     14.39682979      6.09764980    -10.07771919
  H     13.67469826      7.03495100    -16.56551041
  O     19.44247679      8.08265944    -14.68057037
  H     13.29777130      6.97158051     -9.43116462
  H     19.95107034      4.99730577    -14.22404506
  O     19.51672334      3.97034419    -15.58737651
  H     13.61649651      4.09530881    -14.54286728
  H     21.01573355      5.37460846    -13.17084996
  O     18.63320816      7.13442673    -17.14370142
  H     14.59718864      4.05692403    -13.34795191
  H     15.85366865      2.82732263    -12.06258871
  O     16.52967871      6.19249377    -15.49524350
  H     15.35477692      7.45168690    -12.96822967
  H     16.77860831      3.97184792    -12.55103274
  O     13.22056930      8.48039168    -15.33028460
  H     16.61209163      8.35840652    -13.25615485
  H     16.62071487      5.27917847    -10.44044589
  O     14.96961846      2.48614040    -10.42870816
  H     16.65029416      4.41997323    -15.55704887
  H     15.64361826      4.21712948     -9.90566445
  O     14.17890146      6.31456267    -16.95554223
  H     16.55480092      3.15355656    -14.68330306
  H     16.26650060      7.11907845    -19.12528467
  O     20.12751249      5.57161371    -13.45870032
  H     12.80722842      4.75441122    -10.71218213
  H     15.20307891      6.18877626    -18.54424239
  O     16.19560713      3.26039794    -12.85417755
  H     12.87599437      3.97602298    -12.03378633
  H     13.59968820      6.13962361    -13.29773280
  O     15.86194036      5.15611761     -9.85591539
  H     19.30325082      7.78986051    -15.59318052
  H     13.45394351      7.01318432    -12.02824948
  O     15.95856303      6.20493502    -19.14636902
  H     19.71497657      7.29851038    -14.19149533
  H     17.80634611     10.59298491    -13.66730957
  O     13.57264305      7.05867079    -12.98563160
  H     19.55530265      4.20223937    -16.51823113
  H     18.22407774      9.22384218    -14.26058167
  O     17.45861578      9.78664707    -14.03806779
  H     18.62051707      3.62715910    -15.46798466
  H     17.04925352      9.60840669    -19.13593041
  O     16.94307675      8.84687100    -18.57244688
  H     18.15709976      7.76626987    -17.69917137
  H     16.45023478      9.14420223    -17.78684422
          69
 Energy    -248.52055724615516     
  O     -1.04394466      0.07363946      0.95723578
  H     -1.89056225      0.48151847      1.17891625
  H     -3.67417707     -1.79903652      2.92040091
  O     -2.13911256      3.90249372      1.48058388
  H     -1.18919191     -0.86894843      0.81351037
  H     -3.78677442      4.76630640      4.16397847
  O      1.63828281     -0.92884781     -1.00745957
  H     -1.20898594      3.76509916      1.70543386
  H     -2.89286583      4.08286987      3.10522797
  O     -4.06882177     -2.44026575      1.11561050
  H     -2.20930972      3.88759148      0.51320933
  H     -0.57981339     -0.21583943      5.01376613
  O     -1.93044137     -0.50122999     -2.38455458
  H      1.21697717     -0.08780752     -1.21699241
  H      0.09536605      0.78679975      4.07111263
  O     -4.15921582     -0.16970810     -0.60157298
  H      1.06442574     -1.60684030     -1.38472544
  H     -3.44518615      1.26122397      2.45994875
  O     -2.28729125      3.37300062     -1.17286220
  H     -4.51856045     -3.28155940      1.08852186
  H     -3.02369794      2.29199060      1.38721619
  O     -0.11507585      1.38627322     -1.28910202
  H     -3.13189861     -2.61662700      0.91634999
  H     -2.28591947      1.05258403      4.45713808
  O     -0.38175752     -2.68076771     -2.02360402
  H     -2.68809714     -0.39730497     -1.79452683
  H     -3.36159096      2.15497425      4.32444671
  O     -1.42411832     -2.69868375      0.57252722
  H     -1.33357934      0.23363327     -2.19228308
  H     -1.38904797      3.84389056      4.74984271
  O     -0.87154744     -2.07755072      4.85904566
  H     -3.97997083      0.47079755      0.10461338
  H     -0.43795205      2.67564148      5.06811805
  O     -3.32629001     -1.60083863      3.79645047
  H     -4.28946050     -1.00657339     -0.14208465
  H      1.34407699      4.46045437     -0.72284390
  O     -3.19537695      4.03040248      4.02796231
  H     -1.56070537      2.76655194     -1.34862795
  H      1.09519857      3.66304011      0.56729132
  O     -0.51742393      0.72725907      4.81837487
  H     -3.06353853      2.99710128     -1.61005698
  H      1.26585492     -2.38781400      2.25837413
  O     -3.39308828      1.40691018      1.50639266
  H     -0.42993874      0.95743971     -0.47706777
  H      0.14781367     -2.59705401      3.32167030
  O     -3.22117701      1.20267718      4.25151506
  H      0.44232810      2.13580379     -1.03070634
  H      1.75842419      0.17315398      2.29171079
  O     -0.45795533      3.61974532      4.86583252
  H     -0.97212448     -1.93676645     -2.24508728
  H      0.28278529      0.50562684      1.99518064
  O      1.27149990      3.57170188     -0.38199757
  H     -0.35919771     -3.25523610     -2.78369773
  H      0.82417153      2.55352023      2.32610243
  O      0.48413215     -2.91047966      2.47301559
  H     -0.74312440     -2.88713930      1.23789964
  H      0.30124258      3.70795565      3.19796616
  O      1.04837978      0.78033975      2.52585444
  H     -1.04257141     -2.82848515     -0.30386099
  H     -4.35187098      1.66647864     -3.26225831
  O      0.53320451      3.47667868      2.28756777
  H     -1.76068943     -1.98243374      4.47200166
  H     -4.49670190      1.20665927     -1.80951836
  O     -4.42517149      1.99509696     -2.36771639
  H     -0.95740651     -2.67807583      5.59539671
  H      3.57476608     -1.47706454      1.45113133
  O      2.64480840     -1.27409933      1.50535225
  H     -3.50913870     -0.66984715      3.97702509
  H      2.32909230     -1.16221392      0.59082025
          69
 Energy    -248.52015525952635     
  O     10.50380734      9.50981412    -12.60411674
  H     11.24676498      9.90370488    -13.08116156
  H     15.67147381      4.62028946    -16.66612587
  O     14.09003217      6.18502133    -14.28223579
  H     10.18449289      8.79155432    -13.16318607
  H     17.51084227      6.13173561    -15.61387976
  O     16.90703109     10.79234715    -11.34588265
  H     13.35519376      6.67003244    -14.68158452
  H     18.18825877      7.48790810    -15.37363085
  O     15.74896019     10.03885874    -17.53149024
  H     14.72696604      6.86549318    -14.00846336
  H     15.05976396     11.15982454    -16.14410625
  O     12.27508667      7.90720635    -15.42469138
  H     17.49856806     10.05339486    -11.16125824
  H     15.58562744     11.75384862    -14.82783226
  O     16.30456649      7.18459209     -9.41287497
  H     17.14057377     11.12632808    -12.22200172
  H     16.48212151      7.53967841    -13.00820584
  O     13.65836885      5.43772889    -11.65891224
  H     15.84108232     10.30835418    -18.44102916
  H     15.39733385      8.67049766    -12.86107041
  O     14.44541179      9.72173907    -11.76769501
  H     15.19590786      9.23664212    -17.53122814
  H     10.25627503      8.71731350     -9.54992861
  O     14.31421262      7.76830523    -17.38150874
  H     12.49400302      8.72322795    -14.94870363
  H     10.76094814      8.85817245    -11.00515468
  O     16.28886372      4.72296129    -10.90823234
  H     11.41236941      7.61794040    -15.10311062
  H     10.80720893      6.70153951    -11.13286807
  O     17.42684534      9.24553384    -15.43095902
  H     16.30080187      6.27858865     -9.74446216
  H     11.77165223      5.64000785    -11.69680437
  O     15.80578701      5.49555648    -16.30941097
  H     15.38428973      7.47575089     -9.45094066
  H     17.55644846     10.79512703    -14.52407346
  O     18.25917330      6.54660907    -15.16683026
  H     13.76918526      5.63147463    -12.60152854
  H     18.07947631     12.23616075    -14.33186464
  O     14.78276373     11.62391665    -15.34419504
  H     14.49279740      5.05517534    -11.36214323
  H     18.24375321      7.06651025    -11.95489697
  O     15.84361168      8.08377097    -13.48580456
  H     15.24152511     10.19453232    -11.48197320
  H     18.12719578      6.38543088    -13.38306134
  O     10.88858639      8.36875791    -10.17237005
  H     14.17466423      9.10412726    -11.07710516
  H     19.10905541      8.55033569    -10.01957975
  O     10.87473675      5.98737538    -11.77921686
  H     14.82814134      6.99625178    -17.12019224
  H     17.65334495      8.03922943    -10.13202926
  O     17.42289661     11.61625335    -14.02260216
  H     13.54078875      7.80217743    -16.80203769
  H     12.68572942      7.98968174     -9.93240921
  O     17.82465743      6.35928750    -12.46240886
  H     16.73570884      3.89997153    -10.72729847
  H     13.61226998      6.94426240    -10.59910618
  O     18.39428020      8.42118045    -10.63831301
  H     16.86064190      5.22597724    -11.51440448
  H     13.36527176     10.04967683    -13.14490554
  O     13.61033518      7.72967303    -10.03259001
  H     16.79637363      8.85171975    -14.80582590
  H     13.41666850     10.78102379    -14.49979630
  O     12.86508403     10.19722284    -13.96131772
  H     16.92780739      9.48880540    -16.22186167
  H     10.26613176      6.62560673    -13.29568348
  O      9.94828630      7.09839499    -14.08565778
  H     15.18597058      5.59115619    -15.56678473
  H      9.10830789      6.71197637    -14.31799492
          69
 Energy    -248.52011968910045     
  O     -3.81696055      1.37649300      0.78269517
  H     -2.86643596      1.56581109      0.67801597
  H     -0.72654540     -6.80122885      0.63989360
  O     -3.13610546     -2.18525272      7.04830267
  H     -4.28593862      2.12491385      0.42397783
  H     -0.53845226     -1.10911982      0.99756610
  O      0.09930043      2.09360187      2.93778635
  H     -3.75684184     -1.56852553      6.64051184
  H     -1.00144139     -0.95797932      2.48313089
  O     -4.16325038     -0.10458045      3.12521364
  H     -2.26264805     -1.98761789      6.68369223
  H     -1.73643460     -3.06637930      1.72976486
  O      1.97050850     -1.80518847      5.00280444
  H     -0.44832388      1.42435338      3.37935091
  H     -1.82482073     -4.57774749      1.34835587
  O     -3.73056643     -4.67545098      6.16339369
  H      0.95748705      2.03979129      3.35112205
  H      0.84287123     -2.29162211      2.24481078
  O     -0.73410155     -1.96597220      5.59218225
  H     -4.33148510     -0.98054417      2.74622004
  H      2.14788947     -2.53862472      1.48334704
  O     -5.63848862     -3.26830099      4.52852792
  H     -4.10762228      0.51070987      2.38306718
  H     -5.14526008     -2.91648572      2.82378637
  O     -1.18418435      1.81197655      0.49244173
  H      2.00796071     -2.07700572      4.07253787
  H     -3.88953694     -3.13037964      1.93544283
  O      0.75165822     -5.22420586      2.98096246
  H      2.77584950     -2.12601067      5.40217317
  H      1.60309806     -2.92294827     -0.69208485
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  H     -3.93126188     -5.28003263      6.87271345
  H      3.02235340     -2.38420302     -0.99764383
  O     -0.60556527     -5.85973641      0.72649887
  H     -3.53295736     -3.81359181      6.57456524
  H     -1.27992173     -0.60455545      4.56703803
  O     -0.74845569     -1.59591710      1.80351330
  H     -0.96846040     -2.81522536      5.19047178
  H     -2.44636703      0.02282322      3.72184494
  O     -2.27980776     -3.86626968      1.81250245
  H      0.22622023     -1.87902764      5.52016868
  H     -0.53818747     -0.95711469     -1.16189231
  O      1.74228717     -2.63842746      2.35166271
  H     -5.06539907     -3.85997196      5.03084127
  H      0.91470332     -0.92154597     -0.60703048
  O     -4.69271684     -2.59685470      2.03009903
  H     -5.60282190     -2.42240388      4.99121259
  H     -2.58286558     -1.85419978     -1.29351029
  O      2.27462271     -2.27062855     -0.41723747
  H     -0.67116660      1.14977740      0.01342111
  H     -2.14615399     -2.10861699     -2.75120870
  O     -1.49756226      0.06002763      3.89825618
  H     -0.68759263      2.01506110      1.29794248
  H     -5.70613360      0.01646424      5.97484866
  O      0.07836240     -0.44049057     -0.62431985
  H      0.06891890     -5.02696091      3.63631930
  H     -4.80741421     -0.35061119      4.77428518
  O     -1.82751084     -2.11073453     -1.85200038
  H      1.20810109     -4.39066076      2.80676156
  H     -2.26664201     -4.62284348      5.01285160
  O     -5.10382593     -0.64843507      5.65005372
  H     -0.03481911     -4.63633248     -0.55071318
  H     -1.88069960     -4.21330534      3.56316816
  O     -1.52313756     -4.38119196      4.44675973
  H     -0.53026354     -3.41434812     -1.36840829
  H     -4.30248539     -1.77412376      0.38264408
  O     -3.89234170     -1.26509740     -0.32815415
  H     -0.05915348     -5.71532907      1.52048855
  H     -3.89532315     -0.34681580     -0.03294634
          69
 Energy    -248.52009682520125     
  O     12.75972027      8.13392462    -16.23535759
  H     13.54578192      7.63068324    -16.48831664
  H     18.05325446      5.86002257    -14.41073930
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  H     12.95555716      9.04823067    -16.47100019
  H     19.34271471     10.12082675    -12.89717827
  O     16.22228802     11.85760374    -12.25152763
  H     18.45871620      7.83263198    -12.95924432
  H     20.11614120      9.04246729    -13.68023215
  O     18.29415380     10.62771925    -15.82819170
  H     17.20944898      7.74744127    -13.85046541
  H     16.96303822     10.74995699    -17.18623130
  O     15.38010899      4.43306244    -15.43004685
  H     15.87853131     11.44252578    -11.44924154
  H     16.44913662      9.70163573    -18.18559879
  O     15.00275085     10.35556286    -10.25166181
  H     15.61848168     11.58345213    -12.95557861
  H     15.70301024      9.38143454    -14.60783607
  O     15.56747459      6.93954799    -11.54917689
  H     18.34696292     11.14552585    -15.01401859
  H     17.04610003      9.32101956    -15.36504015
  O     14.53147264     10.65649713    -14.08323179
  H     19.10624806     10.10643833    -15.85887971
  H     12.17434037      7.53755877    -14.71671537
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  H     15.09486230      3.54579621    -15.62968169
  H     10.98417245      7.02087337    -13.87280331
  O     16.69704081      8.21495234     -9.30347939
  H     14.89901062      4.70831870    -14.62862552
  H     20.11710844      8.19200028     -9.79817960
  O     20.54437929      8.91914654    -15.51342019
  H     15.57198536      9.66935201     -9.88384769
  H     19.51415629      8.82307457    -11.05648163
  O     18.09849079      5.29895044    -15.19722425
  H     14.36666232      9.89961331    -10.81650016
  H     13.26641490      5.89783665    -13.45490808
  O     19.72049655      9.23320432    -12.81996977
  H     15.85885289      7.25282390    -10.68515032
  H     14.53878650      5.77636007    -12.58380099
  O     16.22454608     10.54551119    -17.77425527
  H     16.35188886      6.97968849    -12.11680980
  H     17.78103510     11.83077661    -12.86532374
  O     16.35324341      8.77054758    -14.97829383
  H     14.04781278     10.05493507    -13.49776886
  H     19.09321659     12.61809963    -13.09313627
  O     11.92109661      7.19355477    -13.84116227
  H     14.07452487     10.73498492    -14.92818474
  H     16.21674014      7.47739326    -18.05122149
  O     19.30623032      8.55396778    -10.14899141
  H     18.73537103      6.47184127    -16.39853888
  H     16.70791665      7.49160091    -19.51787404
  O     14.03203159      5.33765405    -13.27986881
  H     18.38554896      7.43483161    -17.56944002
  H     14.29224009      8.17743489    -12.04235098
  O     18.66283572     11.78873631    -13.28080236
  H     16.73059093      8.04610145     -8.36501091
  H     12.89924561      8.29411055    -12.70157780
  O     16.84821872      7.89304514    -18.66387697
  H     17.61344047      8.35391701     -9.59488815
  H     14.58292481     10.69792144    -17.14338779
  O     13.58705514      8.80519620    -12.25762247
  H     20.05420678      8.24871774    -16.02589383
  H     13.25930051     11.48841916    -17.23053020
  O     13.68533964     10.76840071    -16.77278297
  H     21.41716153      8.96652287    -15.89375917
  H     15.62820934      7.53131941    -16.05798184
  O     15.23229255      6.91975821    -16.69941442
  H     17.22948936      4.88919370    -15.27325185
  H     15.28590224      6.03024880    -16.32866764
          69
 Energy    -248.51935361766039     
  O     14.71639043     12.37840731    -11.56275438
  H     14.06902597     12.51250608    -10.86069537
  H     15.11207046      7.74217963    -15.00568619
  O     16.30361345      9.18855889     -6.75795980
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  H     11.20127504     10.96577189    -11.52669293
  O     16.81294526      6.53545486    -11.14230265
  H     16.18892992      8.23139833     -6.79815911
  H     10.52486168     10.28054555    -10.32952762
  O     13.70305483      4.77525595    -11.78592515
  H     15.53673582      9.57899253     -7.19938912
  H     15.99391911      9.42662898    -13.97530958
  O     18.35479846      7.01029883     -8.85062617
  H     16.70374560      5.95288419    -11.90502403
  H     14.95054108     10.31115187    -14.67408456
  O     16.32931756      6.34022461     -7.17730458
  H     16.03988622      6.39980594    -10.57580053
  H     19.15512385     10.25132659     -7.77834219
  O     16.50291450     10.76788124    -10.06425106
  H     13.96549453      5.08029118    -10.90829043
  H     17.73705034      9.64081489     -7.65354139
  O     12.85731265     12.47821941     -9.36793884
  H     14.52128451      4.68904934    -12.29228677
  H     13.96971155      6.74959662     -9.34745354
  O     10.07837687      8.37501714    -10.18648335
  H     18.51118625      7.95974117     -8.78317175
  H     15.13458034      6.06397642     -8.58586088
  O     14.29101426     10.25484912     -8.40473323
  H     17.98260583      6.84685501     -9.72851473
  H     12.59050687      9.72448772    -12.67471016
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  H     16.59804318      5.70478697     -6.51899816
  H     12.42974854     10.92564950    -13.61251513
  O     14.92031821      6.79586437    -14.94184949
  H     17.11189080      6.51998876     -7.73058471
  H     11.64437606      6.86235800    -13.29629376
  O     10.88395543     11.12321383    -10.62657132
  H     17.28463948     10.55957157     -9.53853470
  H     12.77008181      5.84811294    -12.86557685
  O     15.49011023      9.52383682    -14.79668134
  H     15.74045376     10.55394672     -9.50739590
  H      9.49654674      8.17746681    -13.65553271
  O     18.46085493      9.83103139     -8.27877751
  H     12.51309488     13.26769717     -8.95881777
  H     10.73148686      8.95313713    -13.14344320
  O     14.63982679      6.05557634     -9.41475587
  H     12.10310604     12.02247260     -9.78234364
  H     15.75313917      5.63642187    -13.96869589
  O     11.92178393     10.28555949    -13.10065213
  H      9.29432217      7.97398854     -9.81852386
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  O     12.53047094      6.54875267    -13.49464531
  H     10.04720815      8.22150626    -11.14392819
  H     14.09621441     12.70001499    -14.64740540
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  H     13.74800132      9.51355122     -8.70710784
  H     14.24200736     12.10845451    -13.22729405
  O     16.12217607      4.97986334    -13.34950445
  H     13.79978231     11.06051889     -8.60797297
  H     11.87017256      8.16216500     -9.57583396
  O     13.92022491     11.92029716    -14.12758778
  H     13.47956611      7.82429972    -12.56299305
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  H     16.69691872      8.17997833    -11.88351875
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  H     14.00257194      6.71753167    -14.65120280
  H     16.55781760      9.68237712    -11.50212396
          69
 Energy    -248.51930213025577     
  O     -3.44152717      3.04876638      4.41809767
  H     -2.84258981      3.46040106      3.77893509
  H     -5.26945817     -2.22108353      3.28668974
  O     -1.58065598      4.17269095      2.61437608
  H     -3.37579523      2.09341333      4.27148052
  H     -3.41524074      1.94208186     -1.42099444
  O     -0.81869414     -0.42796121      2.94498996
  H     -2.12355588      4.47600185      1.87949551
  H     -3.34585114      1.62996163      0.08701755
  O     -4.10039371     -1.14521049     -1.73909893
  H     -0.87111823      3.63614478      2.22627486
  H     -5.89528455      3.62659355      2.16256875
  O     -1.70709087     -1.95321678     -0.78096838
  H     -0.15667784      0.06669635      3.44260480
  H     -4.91579351      4.00913082      1.00761822
  O     -4.42774679      0.95451348      1.31568581
  H     -0.79924914     -0.08850363      2.03835366
  H      0.18723475      1.85713941      1.10249233
  O     -6.08629951      3.49688368      4.00353699
  H     -4.77650074     -1.28564142     -1.05934593
  H      0.79954981      2.14907376      2.48644976
  O     -8.20632019      0.26509009      0.91474589
  H     -4.31613313     -0.29874548     -2.14380840
  H     -3.09745460      5.29905443     -0.29868599
  O     -3.32102865      0.39187934      3.73867418
  H     -2.56119915     -1.67684242     -1.15944962
  H     -3.03099380      3.77248661     -0.04978175
  O     -4.81706747      1.51328914     -2.56982994
  H     -1.35368844     -2.62160954     -1.36195472
  H     -4.67802647     -0.47077733      4.45287605
  O     -5.88611086     -1.22092634      0.35471442
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  H     -5.42191131     -1.17327902      5.61357766
  O     -5.10138867     -2.70213543      2.47004023
  H     -4.92794263      0.20521303      0.96433652
  H     -1.53526845      3.18707817      5.41468138
  O     -2.88270805      2.09403080     -0.62996170
  H     -5.14623070      3.37596219      4.22517627
  H     -0.73854709      3.89134402      4.33931597
  O     -5.70254264      3.49392575      1.22606570
  H     -6.44051173      4.12037754      4.63215123
  H      0.42410258      2.04263776      4.66198711
  O      0.45949934      2.57397395      1.68991678
  H     -9.12266616      0.01582569      0.99971817
  H      1.76093295      1.27292209      4.75637099
  O     -3.24542674      4.62731302      0.36262321
  H     -7.90276591      0.52017249      1.80441588
  H     -6.91631749      1.78746911      3.64720853
  O     -5.51390241     -0.90076446      4.70407434
  H     -3.71342055      0.56378339      2.86736025
  H     -6.73158573      0.26771061      3.85470888
  O     -0.62989009      3.39233722      5.16136336
  H     -2.42742469      0.06580067      3.57435438
  H     -1.77653077     -2.01599536      2.41652820
  O      0.95599431      1.34078578      4.24952365
  H     -5.08005105      1.74896761     -3.45531112
  H     -2.17318447     -2.48967828      1.01379365
  O     -7.24991435      0.92578711      3.37409706
  H     -5.58471937      1.68665602     -1.99555277
  H     -0.96750696     -0.38641686     -0.13627941
  O     -2.37044440     -2.61539133      1.94971604
  H     -6.76805366     -0.86083159      0.49827337
  H     -1.41992987      1.08511051     -0.12274262
  O     -0.77571201      0.47408772      0.25960561
  H     -5.68021307     -1.83076372      1.08187346
  H     -6.56182893      2.70149838     -0.20433693
  O     -6.87066809      2.06907072     -0.86775424
  H     -4.13884528     -2.73646073      2.35469151
  H     -7.41293644      1.43788184     -0.38018223
          69
 Energy    -248.51897131949261     
  O     17.85045114      8.70855342    -12.40424543
  H     17.13042091      9.34858271    -12.51661723
  H     15.44035771      8.31429312     -7.45416330
  O     12.24743450     12.09176703    -11.93758243
  H     18.23262433      8.90903000    -11.53834478
  H     13.31290364     11.00517993    -10.87915225
  O     12.42073426     10.04434626    -13.92454856
  H     12.82753962     12.62475102    -12.51172142
  H     13.77510604      9.52329511    -10.61857122
  O     16.05984926      6.66943265    -11.87265454
  H     11.48301294     12.62757000    -11.74407696
  H     18.55502032      8.22002778     -8.76890453
  O     18.67484351      9.68031233     -9.90208652
  H     12.23702701     10.72158666    -13.26302237
  H     17.56578772      8.00074698     -7.61549898
  O     19.93943655     11.90617455    -11.10642071
  H     13.20608252     10.34079310    -14.39832657
  H     16.72183739     15.31630508    -12.74075106
  O     16.28488117     10.90106214     -8.98639662
  H     16.36306047      6.18619319    -11.09465645
  H     16.72177791     13.90802274    -12.10300514
  O     12.10559260      7.44962696    -13.25721181
  H     16.75219864      7.30665434    -12.10007010
  H     17.18194596      4.69819186     -9.15796970
  O     15.49425554      8.67686297    -16.11536740
  H     19.24659698     10.39900926    -10.19672613
  H     17.40611686      6.21821974     -8.97373879
  O     14.67534695      6.75498303    -14.34213235
  H     17.84165212     10.08482172     -9.61981141
  H     16.48217015     11.41346339    -12.04860498
  O     14.94190323     11.05526549    -14.94069886
  H     20.81746632     12.27306187    -11.06426989
  H     15.22147470     10.55473803    -11.79586707
  O     16.00244913      8.95278525     -6.97827275
  H     19.81184841     11.57132952    -12.01458714
  H     18.93326332     10.05722465    -13.37398272
  O     13.99702274     10.45559051    -10.47694162
  H     15.44673552     10.77171766     -9.45530529
  H     18.73929931     11.44336284    -14.05263321
  O     18.21114384      7.54407482     -8.16900546
  H     16.22598520     10.35389890     -8.19300882
  H     16.65776931     12.05298832    -15.08662485
  O     16.43804403     14.41623484    -12.88095897
  H     12.17531540      8.37938883    -13.54147986
  H     17.17053445     13.24496980    -14.26593565
  O     16.83764332      5.55315569     -9.40177851
  H     11.25873970      7.13090738    -13.55635956
  H     14.51258051      7.42342466    -11.28135587
  O     15.94659826     10.70117896    -12.41734447
  H     15.22350395      7.96310677    -15.51366416
  H     13.02082778      7.59781426    -11.65386205
  O     19.35057124     10.91367185    -13.52012031
  H     16.03609453      8.26679165    -16.78392571
  H     18.22358016     12.54343848    -10.92264086
  O     17.46270346     12.50985437    -14.81752984
  H     13.76994275      6.88700924    -14.03746568
  H     16.92360717     12.26898531    -10.11139425
  O     13.66720953      7.77037154    -10.95860763
  H     15.19912104      6.58755733    -13.54841757
  H     14.72159499     13.81195327    -13.37706975
  O     17.27576912     12.73217787    -10.88296152
  H     15.30771840     10.90849191    -14.05261988
  H     14.19439089     12.67196110    -14.26947801
  O     13.91493153     13.35647278    -13.64700673
  H     15.14111168     10.26152746    -15.46113226
  H     14.12967070      7.31156782     -9.19244070
  O     14.62940392      7.08760241     -8.39708473
  H     15.70331458      8.95997449     -6.07303464
  H     15.28999105      6.44296992     -8.68042182
          69
 Energy    -248.51873355257422     
  O     -2.11368393      6.20279625     -1.38921569
  H     -2.43844332      5.29578383     -1.52788818
  H     -2.19122780      1.44167495      3.22232611
  O      1.39107498      2.08854013      5.37878866
  H     -2.45605256      6.72898313     -2.10688202
  H     -2.72278361      2.81798473     -2.10510654
  O     -0.93650723      3.05322266      0.31460178
  H      1.19347523      2.79174284      4.73910858
  H     -3.62317712      3.37755008     -0.94093962
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  H      1.68303218      2.52137691      6.17758424
  H     -3.28683379     -0.07782890      0.08050092
  O     -0.77388639     -1.03688311      1.61334463
  H     -1.61871335      3.13732890     -0.36230733
  H     -1.89427480     -0.71380997      0.06338942
  O      0.73370679      3.92236458      3.40864860
  H     -0.42430032      2.25115099      0.14713154
  H     -3.50734649      5.51567175      2.19130426
  O      2.43519753      3.59431680     -0.92782351
  H     -0.09499891      1.70270175     -2.67564382
  H     -4.67457049      5.27321837      3.17960643
  O     -2.36539547      6.58503090      1.45369143
  H      0.87900564      1.27043670     -1.58789022
  H     -1.57142520      3.10765677      1.92840732
  O      2.79857400      0.44835652      3.50510118
  H     -1.33701016     -0.51348407      2.20065039
  H     -2.62802767      3.71096306      2.89967518
  O     -0.42391156     -0.15918610      5.16091681
  H     -0.09434115     -1.43158000      2.17481409
  H     -2.30126020      0.70314477     -3.48544262
  O      0.36301700      5.41485850     -0.30679650
  H     -0.18149128      3.62204607      3.29783555
  H     -2.21661880      0.64276581     -1.94583588
  O     -2.37399301      0.50008202      3.35704617
  H      0.74009820      4.84406871      3.12586952
  H     -5.13905825     -0.18420459      1.83555836
  O     -2.93219743      3.60454234     -1.58497079
  H      1.97483201      3.02231118     -1.55896921
  H     -3.76705932      0.38399843      2.25996391
  O     -2.55665318     -0.30530791     -0.50689405
  H      1.88627602      4.38355183     -0.85307918
  H     -4.62277988      2.12887237      0.83510671
  O     -4.06964405      4.82831725      2.59248985
  H     -2.30540664      6.52386371      0.49199831
  H     -4.53877602      3.63220581      1.18429336
  O     -1.84789978      3.14580701      2.85931622
  H     -1.46078812      6.60191090      1.78572004
  H      2.56163831      2.88384847      0.72968071
  O     -2.07038882      1.21922831     -2.71709264
  H      2.44659545      0.96083196      4.24335841
  H      1.88078991      3.01062882      2.13476318
  O     -4.43424137      0.39370232      1.55306199
  H      2.85550613      1.07421154      2.77056815
  H      0.25499540      0.12043996      0.68761399
  O     -4.62840407      3.01345632      0.44941535
  H      0.12533406     -0.80142182      4.69419390
  H      1.34653458      1.24461147      0.72321265
  O      2.43027776      2.44155773      1.58274330
  H      0.14204996      0.60692664      5.31575057
  H      1.85959430     -1.01373670      3.40348116
  O      0.69606355      0.79914167      0.16357956
  H      0.01787130      4.54182996     -0.05773241
  H      1.75972469     -2.54546746      3.59390801
  O      1.23834662     -1.76381641      3.43309934
  H     -0.33567818      5.82102729     -0.83271576
  H      1.00930181      7.25377326      2.25036634
  O      0.46607947      6.47119197      2.19529542
  H     -1.81269715      0.21703340      4.09325106
  H      0.54059387      6.14269814      1.28179455
          69
 Energy    -248.51854289813167     
  O     12.99143895      8.39768748    -16.64550859
  H     12.65056608      8.45965330    -17.53391156
  H     11.32590404      5.32053522     -9.92585904
  O     10.98573672      8.96651039    -10.94533303
  H     12.27879235      8.02125370    -16.09655410
  H     17.16567222      4.76358947    -12.18733179
  O     15.69872923      7.43267813    -10.78640592
  H     10.94805337      8.03701575    -10.69030669
  H     17.08908351      4.80150717    -13.72460584
  O     12.83915235     10.02448282     -9.05378849
  H     11.56909170      9.39625170    -10.30803533
  H     14.62459696      7.62642524    -13.87010793
  O     12.83829626     10.69121217    -14.86419527
  H     15.84140385      6.47538195    -10.75589404
  H     14.30587739      8.89442184    -13.05098784
  O     10.51193493      9.83685069    -13.46312122
  H     15.15933582      7.59452169    -11.57695205
  H     11.33260831      6.87471800    -14.31665163
  O     15.74772637      4.66833290    -10.88785143
  H     12.75081723     10.73242857     -8.42154757
  H     10.75639808      8.28725451    -14.50401398
  O     12.78018080      2.09634034    -11.41725175
  H     13.65148271     10.20025865     -9.56230486
  H     17.85633830      9.78024442    -15.12327552
  O     15.01218002     10.61625810    -13.23689796
  H     12.03492145     10.48062119    -14.37001032
  H     17.43195378      8.79252201    -14.00735931
  O     14.19024053      4.52789711     -8.60088788
  H     12.92069927     10.00626044    -15.53731069
  H     14.36948576      7.36999904     -9.48674184
  O     11.59386519      3.53476855     -9.42076284
  H     10.69302768      9.53183947    -12.55646280
  H     13.32448270      8.22319139     -8.73968431
  O     11.41343163      6.23985765    -10.20558082
  H      9.69343003     10.32509226    -13.42464251
  H     15.53253453      9.37737104    -10.46036423
  O     17.66837948      4.99666204    -12.97914001
  H     15.11746554      4.43185582    -11.58159523
  H     15.11904332     10.52625463    -11.40612763
  O     14.22251825      7.93261895    -13.04733672
  H     15.30422437      4.49862149    -10.04416058
  H     17.93200210      6.79466358    -12.88107119
  O     11.05693497      7.50897444    -14.99157568
  H     13.20306789      2.70465732    -12.04414672
  H     17.27895197      7.79880533    -11.93353077
  O     17.09958211      9.34526890    -14.74005642
  H     13.32363262      1.31186474    -11.40727358
  H     12.84624503      6.82459434    -12.89040526
  O     13.62497998      7.31579064     -8.87192526
  H     14.26892393     10.80641110    -13.83092223
  H     11.83300835      6.10606388    -11.96310921
  O     15.12675439     10.25137337    -10.47817717
  H     15.75475085     10.32650208    -13.78043548
  H     14.55515707      7.71839363    -16.02326502
  O     17.83728876      7.74453222    -12.71547741
  H     13.33083126      4.12502444     -8.77131980
  H     15.96890126      8.04797717    -15.42687338
  O     12.19740354      6.10420473    -12.85781114
  H     14.01049449      5.46539351     -8.45395001
  H     15.60140483      5.60653349    -15.32327394
  O     15.32150119      7.34338144    -15.56618643
  H     10.99769162      2.97581462     -8.92885926
  H     15.92619893      4.22034809    -15.92357523
  O     15.72600853      4.66790718    -15.10492001
  H     11.96201584      2.98935692    -10.13690455
  H     13.30007369      4.71560257    -13.00197756
  O     13.97221790      4.01723068    -12.99586881
  H     12.18465210      6.58980464     -9.73542332
  H     14.53276564      4.14993643    -13.76907029
          69
 Energy    -248.51835198943627     
  O     14.35899195      1.58045215    -13.95141356
  H     14.90076006      1.36721843    -14.71996996
  H     18.69226860      5.37953272    -19.00100023
  O     19.84615133      8.01807837    -16.68470968
  H     14.88111476      2.18221883    -13.40523006
  H     15.02714455      4.37369697    -12.42351180
  O     13.85947932      5.77006710    -11.96675456
  H     19.16863434      8.70571034    -16.70170593
  H     15.83682889      3.96405556    -13.68859718
  O     14.06821533      3.75717771    -19.71264042
  H     19.67704153      7.49649652    -15.89011378
  H     17.16108538      3.04325047    -19.03067668
  O     17.96682828      5.33478210    -12.08809238
  H     14.56130949      6.44012965    -12.05653818
  H     15.70457429      2.74580817    -19.42168279
  O     17.17265686      8.25259030    -19.18631671
  H     13.38631909      5.97310083    -11.16442023
  H     18.71589533      6.04244815    -13.68636678
  O     14.75800339      6.43628040    -16.26974749
  H     13.67725182      3.37411197    -18.90694087
  H     18.96937866      5.56935915    -15.13702414
  O     18.77547968      4.14311147    -16.16406832
  H     13.44750791      3.60163758    -20.41944231
  H     17.42260849      7.40842195    -14.86263836
  O     15.81940393      1.68362003    -16.47345049
  H     18.46139891      4.97885351    -11.35376923
  H     16.89018965      8.68217842    -15.57024954
  O     17.54869623      9.72269715    -16.94119492
  H     17.24883241      4.70642180    -12.26942015
  H     12.48696286      4.70875015    -14.69294042
  O     16.10563124      4.18805248    -15.41262638
  H     18.02891629      7.83800405    -19.34730273
  H     13.06241935      5.71145051    -13.67269107
  O     18.04219715      4.71002489    -18.75332388
  H     16.52669339      7.53346468    -19.17185231
  H     12.72032492      2.73492200    -16.63389164
  O     15.73664258      3.79686443    -12.73652557
  H     15.32782135      7.05036971    -15.78683391
  H     14.02801703      2.10241859    -17.12376397
  O     16.49393521      2.34442533    -19.03769194
  H     13.98035470      6.23755294    -15.72627881
  H     18.95704851      0.59667264    -16.14741114
  O     18.90484528      6.35877710    -14.57736579
  H     18.59269720      4.30190168    -17.10147964
  H     17.61926772      1.33370619    -15.99973936
  O     16.64729842      7.98164241    -14.95192604
  H     18.85514022      3.18885752    -16.02976775
  H     15.20683824      6.17420312    -17.95798822
  O     12.78033000      5.62260031    -14.59139856
  H     15.83968137      2.57900278    -16.09505200
  H     14.99511278      5.29601453    -19.22323578
  O     13.23415778      2.55670877    -17.42960391
  H     16.08324445      1.78048752    -17.40350547
  H     16.73097806      6.84073250    -12.09755717
  O     18.56756029      1.40365357    -15.81786995
  H     17.45387289     10.65241121    -17.12835469
  H     16.13143039      7.76140402    -13.17724507
  O     15.56072978      5.97620080    -18.83860369
  H     17.34468758      9.24613352    -17.76629814
  H     19.84329394      7.27121442    -18.27116451
  O     15.97965743      7.41552057    -12.28711806
  H     17.03668598      4.27404750    -15.65575921
  H     20.52551910      7.08870141    -19.64756086
  O     19.72153459      6.91003760    -19.16756168
  H     15.62198306      4.94834144    -15.75914664
  H     11.32185521      2.42127267    -14.53243681
  O     12.10767892      2.86831019    -14.83668805
  H     17.17947179      5.15147416    -18.75713320
  H     12.86549393      2.38263586    -14.46752108
          69
 Energy    -248.51830048372904     
  O     11.75489234      8.12783290    -15.33186887
  H     12.48814526      7.66640769    -15.76146280
  H     19.19799606      7.81391184    -14.21238455
  O     16.75319011      7.58065832    -12.33052308
  H     11.85168192      9.06191376    -15.55107658
  H     14.84566351      9.79166483    -17.75232012
  O     16.16520697     11.78382859    -12.80639605
  H     17.23189270      8.39229003    -12.11699894
  H     15.31995746     10.80793627    -16.70103878
  O     16.63995584     10.66509682    -15.35688106
  H     16.11067091      7.41633926    -11.62871683
  H     14.74301304      8.02736349    -14.92786186
  O     15.37870622      4.86343200    -14.86116633
  H     16.13889815     12.04996980    -11.87479837
  H     15.60838375      8.17788998    -13.62361919
  O     13.71883920     10.61377065     -9.10645436
  H     15.25823804     11.52850900    -13.02138732
  H     10.62738079      6.80356569    -12.72433637
  O     14.72558418      7.22479087    -10.52477017
  H     16.12002429      9.91695115    -15.01684735
  H     11.54041666      7.55512303    -13.72196415
  O     13.59979249     10.72911011    -13.41643320
  H     16.66112350     11.29664847    -14.62989009
  H     18.20187846     10.12185786    -10.29425684
  O     17.78206743      8.48317113    -16.65924571
  H     15.34114006      3.91296389    -14.93144409
  H     18.92214960     10.39075617     -8.95476253
  O     15.79653353      8.71850775     -8.49570316
  H     14.87511792      5.10079415    -14.06080839
  H     14.24559676      5.96328921    -11.87838570
  O     17.75556153      6.48937868    -14.61075467
  H     13.31163478     10.11590051     -9.83351640
  H     13.04365904      6.07006719    -12.81859044
  O     19.57077340      8.70250019    -14.14360564
  H     13.00329360     10.93233543     -8.56118764
  H     17.52665369     10.58389519    -12.41131149
  O     14.58107313     10.59211176    -17.28575927
  H     15.13827603      7.58441740     -9.72545393
  H     18.73436292      9.64394060    -12.78910593
  O     15.09687394      8.65548071    -14.28812735
  H     14.06810292      7.87773463    -10.79925974
  H     15.17900295     11.69412735     -9.74722970
  O     11.48825759      7.20391722    -12.81457494
  H     13.04699064     10.96586068    -14.16953920
  H     16.71243392     11.59584807     -9.70222018
  O     18.06062829     10.25803613     -9.34222977
  H     14.09073783      9.93874983    -13.69978054
  H     15.89550124      7.90646345    -19.19899004
  O     13.89140542      5.62303420    -12.70956188
  H     17.52084056      9.31331325    -16.23443808
  H     16.47418269      8.20909768    -17.79551868
  O     18.16921443      9.94845945    -12.06569086
  H     17.76215942      7.79891016    -15.97520630
  H     12.23876417      8.51090039    -11.71697610
  O     15.98567493     12.10721161    -10.07858009
  H     15.10396760      9.38958048     -8.54731114
  H     13.03874245      9.80594721    -11.97966530
  O     15.64782060      8.09751075    -18.29833292
  H     16.61946077      9.17609232     -8.70786840
  H     11.69851856     11.51572141    -16.34692169
  O     12.79294396      9.17471513    -11.28709594
  H     17.09881919      5.82229400    -14.83747606
  H     13.06789034     10.80487479    -16.44490972
  O     12.26322277     10.88907480    -15.90259944
  H     17.47188966      6.80904218    -13.73892203
  H     14.53489673      6.12931045    -15.92635503
  O     14.11057887      6.92847408    -16.26504730
  H     19.54696807      9.03221724    -15.04400303
  H     14.60676541      7.23370601    -17.03569296
          69
 Energy    -248.51819311735406     
  O     14.96516555      8.80367288    -15.45115875
  H     15.66004030      8.66959323    -14.79191554
  H     15.66893306      9.31378036    -16.93786448
  O     14.31099711     12.55978423    -15.05448346
  H     14.25077186      9.27266546    -15.00445511
  H     16.58928223     12.79654072    -11.05360488
  O     19.64894729     10.51540702    -11.37291545
  H     13.65939262     11.91749267    -14.75195429
  H     15.56995084     13.11822778     -9.94053802
  O     20.64414848     13.05521328    -12.15808131
  H     15.15012571     12.24929445    -14.67977163
  H     19.56735495     15.51765000    -13.78805514
  O     14.38286331     10.28201908    -11.65427810
  H     20.10338585     11.36491605    -11.40702675
  H     20.65601004     16.49816402    -13.29697200
  O     17.50933916     10.13432497     -9.69180378
  H     19.59645156     10.21501576    -12.28846953
  H     16.69359106      8.81657805    -10.41248538
  O     17.01712465      8.79406182    -13.53665608
  H     21.10322327     12.52678514    -12.82553081
  H     16.10353817      7.38322719    -10.41429875
  O     15.03238025     12.28430153    -17.75769703
  H     20.69234298     13.96792778    -12.46849325
  H     15.95155829     13.71297117    -18.01986009
  O     18.76150342     13.61142858    -16.69473892
  H     14.88520128      9.50300212    -11.38778853
  H     16.27293396     14.97338857    -18.85974004
  O     18.11369397     10.96916468    -16.21803106
  H     14.84677179     11.04098587    -11.28100109
  H     20.50702953     13.76063709    -16.13066467
  O     12.99447419     10.30113071    -13.98228439
  H     16.99193867     10.94025687     -9.80038558
  H     21.19047057     14.50176408    -14.96437363
  O     16.13267358      9.65965307    -17.72273256
  H     18.31749589     10.25695762    -10.21447535
  H     18.29318316     14.48846990    -15.15329140
  O     15.92655092     12.40345456    -10.46266906
  H     17.96883802      8.90187288    -13.64864644
  H     17.03866133     15.21114071    -14.62966643
  O     20.49128012     15.57908489    -13.49166601
  H     16.83931041      8.48998949    -12.63702599
  H     21.71768877     12.30276268    -14.81313615
  O     16.19284397      8.16995733    -10.94394755
  H     14.67843108     12.35146428    -16.85991108
  H     22.80193411     11.33171745    -14.28596809
  O     16.47549030     14.53542730    -18.03778486
  H     15.36863780     11.38545444    -17.84819668
  H     20.48156623     10.26345245    -14.18506728
  O     21.32310536     13.79979054    -15.61200862
  H     18.58952466     12.66237639    -16.61000997
  H     19.15679716     10.13114273    -14.93536563
  O     17.95963758     15.01013567    -14.40914557
  H     18.06046368     13.97630094    -17.24979592
  H     16.63225819     10.62014476    -13.68483799
  O     21.87343354     11.54155739    -14.22562564
  H     17.54685815     10.48152859    -16.82770383
  H     17.09848374     12.07169372    -13.33834814
  O     19.63298896      9.80292845    -14.15922258
  H     17.54983961     11.23318414    -15.47301259
  H     14.90519161     14.36855333    -15.22477589
  O     16.62780029     11.53728803    -13.98873562
  H     13.46028286     10.30607926    -13.12642033
  H     15.69937068     15.08794269    -16.32874985
  O     15.42710389     15.16152047    -15.40535787
  H     12.09757081     10.03188234    -13.80345602
  H     17.78619277     13.97620403    -12.93783305
  O     17.83089399     13.31837756    -12.22959307
  H     16.11300430      8.97014451    -18.38027914
  H     18.76576944     13.11060659    -12.10809191
          69
 Energy    -248.51812614012556     
  O     -4.40217021      3.65869632      1.96868484
  H     -5.29854898      3.97602230      2.05354559
  H     -2.79818379      1.54352769     -1.89152818
  O     -3.01445840     -2.45341929      2.64473608
  H     -4.08641932      3.47216110      2.86644524
  H     -1.64630283     -3.07174970     -0.21524300
  O      0.20789361      1.69948071     -2.98212960
  H     -2.12111777     -2.80898209      2.73499680
  H     -0.40638622     -2.26289134     -0.64008938
  O     -3.04745444     -0.25970003     -1.09227512
  H     -2.99568582     -1.58546777      3.06599006
  H     -0.74583796      3.06342668      2.80039643
  O      1.33721805      1.76861957      4.34455156
  H      0.77996379      2.30881431     -2.48187508
  H     -0.31922709      4.37625733      3.47932475
  O      1.72746981      3.36168271     -1.50892307
  H      0.43076681      1.80840271     -3.90275629
  H     -2.21694698      1.73972653      0.99578533
  O     -0.58044114      2.37053823      1.16383363
  H     -3.15111336      0.28590618     -0.29634043
  H     -3.70227736      2.09225268      1.27657805
  O     -3.54113714     -2.82128008     -0.00597499
  H     -3.33080831     -1.14724192     -0.84281618
  H     -2.38249590      3.20207042      4.23941747
  O     -2.59545242      0.22468441      3.52054385
  H      0.56662090      2.34840077      4.30093524
  H     -3.44236563      3.20140085      5.36667980
  O      0.10715334     -0.55287681      3.20337352
  H      1.02725159      0.90288598      4.05239816
  H     -0.02094524      0.16662891     -1.96960580
  O      2.68339560      3.59415245      2.72117784
  H      1.19932715      4.00749758     -1.01838672
  H     -1.24337824     -0.42615902     -1.24106200
  O     -2.43455994      2.42211118     -2.04816991
  H      2.36298101      2.99156204     -0.88553914
  H      1.59528478      4.92291301      2.69911910
  O     -0.68415277     -3.03971613     -0.13835648
  H     -0.35151741      3.17762154      0.68503243
  H      1.28506155      6.40671871      3.01679586
  O     -0.80471689      3.55690636      3.63391878
  H      0.12001351      1.72481117      1.01971657
  H     -2.66590927      3.86041471     -0.91484699
  O     -3.10569562      1.35859873      1.08890337
  H     -4.22147158     -3.48000554     -0.11692872
  H     -3.24965173      4.36745447      0.43240318
  O     -3.29093373      2.92979975      4.46497762
  H     -3.44294402     -2.67816601      0.95221501
  H      0.91037466     -0.05774977      1.64816088
  O     -0.28151883     -0.50306179     -1.32422400
  H     -2.79229575      0.51918354      2.61679419
  H      0.74790373     -0.05511282      0.08488037
  O      0.88929847      5.59769197      2.70556331
  H     -2.86171915      0.96139382      4.07704020
  H      0.18062179     -4.06208782      2.74240391
  O     -2.65069789      4.59665430     -0.28283206
  H     -0.80168417     -0.26058498      3.35605265
  H     -0.32877313     -3.19979472      1.56155110
  O      1.26171980      0.30349779      0.82277507
  H      0.07040854     -1.51014362      3.07968956
  H      2.66069559      1.34431672      0.58169958
  O     -0.26028034     -3.24346555      2.53260564
  H      2.99254098      3.13213139      1.93433685
  H      4.16490392      1.56983024      0.30159689
  O      3.33771416      2.02690908      0.43139709
  H      2.34929296      2.91245998      3.32280919
  H     -0.92447088      4.95076285     -0.05531512
  O      0.03351968      4.87371480      0.08287952
  H     -1.55404588      2.26756375     -2.41086365
  H      0.26048311      5.27084855      0.93159194
          69
 Energy    -248.51810725237868     
  O     17.34105759      7.91226389    -15.97160171
  H     16.58010506      7.33716891    -15.80661702
  H     18.25312830      3.23380316    -12.98427740
  O     19.99484568      6.21717563     -9.58029937
  H     18.00026073      7.37275803    -16.42622466
  H     16.59087454      9.56677620    -15.62353281
  O     15.16414039      9.19631133    -10.72139948
  H     19.52150079      7.05894414     -9.44113977
  H     15.20348470     10.03749029    -15.13060494
  O     13.42850834      9.57101853    -14.59910856
  H     20.69236864      6.18522814     -8.93130219
  H     17.63777685      7.09448462    -13.05649415
  O     19.15689847      6.05710500    -17.03004243
  H     16.08795345      9.34486917    -10.96657793
  H     18.10901660      7.93028453    -14.25868321
  O     17.67666004      4.53140188     -9.54031491
  H     14.66252733      9.90980727    -11.13728223
  H     12.17872360      6.49442551    -13.61901944
  O     14.33194145      6.66272966    -11.25270447
  H     12.69016981      9.78660258    -15.16561951
  H     13.43579507      6.83095262    -12.79432642
  O     20.07991819      5.84147450    -12.36087387
  H     13.26444816      8.67934489    -14.25819213
  H     15.59253490      8.58196266     -8.96972967
  O     15.18104395      5.37733479     -8.93367788
  H     19.75336445      6.08467352    -17.77342278
  H     15.71488756      7.17465456     -8.36658494
  O     16.45611741      5.78868724    -12.80226008
  H     19.64779373      5.65338559    -16.29192777
  H     17.86795133      3.12869683    -15.33230631
  O     20.34772865      4.76227556    -14.96243880
  H     17.81817966      4.06054032    -10.37167243
  H     18.48096707      1.73258590    -15.07137649
  O     18.21957125      3.75153935    -12.17062511
  H     18.44791655      5.10205793     -9.43749690
  H     14.96340685     11.57212358    -12.54338492
  O     16.10830252     10.33324544    -15.28831803
  H     14.59590720      7.57931564    -11.06938692
  H     13.80220621     10.71611679    -13.07643018
  O     18.29715800      7.75106942    -13.32991896
  H     14.48139068      6.16049924    -10.44129825
  H     17.75431891      8.34283663     -8.76384003
  O     13.00939894      6.96300778    -13.65793288
  H     20.17925354      5.98716526    -11.41087304
  H     18.42279723      9.04430111     -9.96866949
  O     16.01010386      8.08490819     -8.25326367
  H     19.57750908      6.59425399    -12.70534875
  H     18.01467494      9.12945387    -12.20030911
  O     18.43083534      2.61872409    -14.72308165
  H     14.82748179      4.80745962     -8.25592883
  H     17.52343532     10.59581079    -12.04892310
  O     14.10879602     11.19474278    -12.29716670
  H     16.08045673      5.05629106     -9.12685352
  H     15.77411262      5.91937068    -14.40944652
  O     18.60011164      8.46375001     -9.21846476
  H     15.77128735      6.00988903    -12.15926422
  H     14.42315546      6.36701038    -14.96332773
  O     17.76334730      9.80375233    -11.55259595
  H     16.95337328      5.01876003    -12.50037592
  H     17.70776155      4.81358091    -16.78011192
  O     15.30564585      6.10728904    -15.24038300
  H     20.43218571      5.13706537    -14.07634800
  H     16.31279218      4.76975417    -16.12750129
  O     17.03813381      4.21071438    -16.43290203
  H     19.83369379      3.95173682    -14.86232911
  H     16.59835081     11.36102692    -13.97972364
  O     16.77152682     11.88486103    -13.17621096
  H     18.92952713      4.40930408    -12.22933578
  H     17.11426834     12.72683352    -13.46327934
          69
 Ord_Energy   -248.517914    
 O   -6.99991417      -12.8380013       4.42543507    
 H   -6.20110273      -13.3106565       4.20860291    
 H   -6.74781561      -11.9087162       4.58069992    
 O   -10.1364489      -9.09692955       9.01799393    
 H   -10.8522224      -9.13720322       8.36728287    
 H   -9.55459881      -8.37663078       8.73620701    
 O   -9.43300247      -6.70063400       5.25766659    
 H   -9.15799427      -5.95872545       4.72378731    
 H   -9.19233036      -7.50394821       4.76592541    
 O   -12.2375708      -7.54688501       5.14424467    
 H   -11.3630371      -7.14497614       5.18398714    
 H   -12.2609138      -8.07276726       4.33078575    
 O   -12.0401230      -9.46293831       7.06805563    
 H   -12.2864609      -8.70975494       6.51352024    
 H   -11.4216852      -9.97667980       6.52570486    
 O   -12.9714842      -11.7710552       8.22694111    
 H   -12.7056141      -10.9214849       7.83962393    
 H   -12.2222700      -12.3811255       8.16329384    
 O   -9.74613571      -10.1393938       1.62739038    
 H   -9.57958031      -11.0455294       1.94359958    
 H   -9.56712532      -10.1393681      0.691149354    
 O   -11.4849873      -10.9844313       10.5991745    
 H   -12.1897659      -11.2121153       9.98176193    
 H   -11.0444565      -10.2095537       10.2213202    
 O   -8.86271763      -9.08570290       4.04208326    
 H   -9.05616379      -9.29794598       3.12068081    
 H   -9.43067074      -9.67235279       4.56620598    
 O   -8.80327702      -12.8086767       6.55142403    
 H   -8.11829376      -12.9181576       5.88097477    
 H   -8.47783470      -12.2057295       7.23587370    
 O   -8.28687191      -11.1342154       8.72959232    
 H   -8.94606018      -10.4243603       8.78839493    
 H   -8.53820992      -11.7855873       9.39522648    
 O   -12.3311625      -14.7919140       5.96334076    
 H   -13.1321011      -14.2547884       6.00706291    
 H   -11.8363676      -14.5832033       6.76616526    
 O   -10.8767500      -13.6873455       8.11083508    
 H   -10.4924679      -13.6150913       8.99186039    
 H   -10.1582603      -13.4722424       7.49659920    
 O   -9.58550262      -12.9055252       10.5316401    
 H   -10.2768955      -12.2309341       10.6666250    
 H   -9.42630577      -13.3110285       11.3792810    
 O   -12.6624269      -11.8758049       4.01939106    
 H   -13.3189096      -12.1131268       4.68661642    
 H   -12.2974501      -12.7029572       3.68087840    
 O   -14.3705711      -12.7823009       6.10131645    
 H   -13.9840212      -12.4002295       6.90757322    
 H   -15.3176622      -12.7430573       6.20540762    
 O   -8.38635540      -7.35491467       7.83570528    
 H   -7.63097763      -7.92599106       7.65747690    
 H   -8.73226261      -7.07413960       6.97861290    
 O   -10.4335470      -10.8907652       5.40580177    
 H   -9.90435219      -11.6246099       5.73980331    
 H   -11.1593714      -11.2490702       4.87735939    
 O   -6.49755001      -10.2551708       4.95522213    
 H   -6.36825514      -9.94151783       5.85821390    
 H   -7.24854851      -9.76069832       4.59874296    
 O   -11.3554392      -14.3250723       3.47029972    
 H   -11.6120710      -15.0570841       2.91458225    
 H   -11.6237011      -14.5605631       4.37596226    
 O   -12.2222605      -9.29158974       2.92177463    
 H   -12.5412693      -10.1501446       3.22876954    
 H   -11.4357872      -9.49241447       2.40274954    
 O   -9.22529507      -12.6242456       2.61971521    
 H   -9.89365005      -13.2508078       2.92197537    
 H   -8.46104717      -12.7363243       3.19725680    
 O   -6.36373138      -9.45215321       7.66761351    
 H   -5.62078619      -9.33247089       8.25513268    
 H   -6.96179390      -10.0819588       8.10221291    
          69
 Energy    -248.51786243825126     
  O     16.24546459      2.86291224    -13.77504509
  H     16.19960027      2.74037348    -12.81906079
  H     14.70913681      7.53745947    -16.21615710
  O     18.66268896     10.12865313    -12.54371993
  H     15.63079494      3.58067248    -13.97841928
  H     11.44464980      6.01609507    -15.08675367
  O     13.44050253     11.40724491    -12.01057279
  H     19.22560356      9.69380449    -13.20136189
  H     12.72475990      6.83534405    -15.39208701
  O     16.28167284      7.10265463    -15.25287210
  H     18.81234104      9.69001338    -11.69713735
  H     15.73013375      8.77459453    -12.58488229
  O     18.84715035      3.36988837    -14.38153020
  H     14.00194542     11.52099754    -12.79072173
  H     17.08331303      9.41166618    -13.05037431
  O     18.69940920      8.66902785    -10.12753922
  H     12.98699049     10.56997265    -12.14112004
  H     16.38308293      2.25051713    -10.21328349
  O     14.61043771      8.13946727    -11.27013991
  H     16.23362034      7.83976920    -14.62389053
  H     17.35919887      3.12946988    -11.03275284
  O     17.15466451     12.56336786    -12.55338944
  H     17.16940242      6.73888377    -15.14948078
  H     15.07433294     12.95332262     -9.73063344
  O     16.25889149      9.63550659     -9.60602411
  H     17.90755079      3.15576701    -14.23830483
  H     14.62818879     11.94910934    -10.81605299
  O     14.68801589      5.18685842    -14.04372697
  H     19.20091562      2.68853563    -14.94666310
  H     17.20237740      6.18633178    -11.55500205
  O     18.77417461      6.18441528    -14.36810013
  H     19.26439705      8.73245650     -9.36260784
  H     18.35292698      7.15160765    -11.11901981
  O     13.78881741      7.72698517    -16.44319987
  H     17.82815173      9.02420620     -9.86983298
  H     15.56057303     10.58723173    -13.98419769
  O     12.22324875      6.39022539    -14.68326713
  H     14.79135709      7.19035100    -11.22550058
  H     15.88894960     12.06839498    -13.78383518
  O     16.23300304      9.06605379    -13.35562424
  H     13.85221446      8.28245449    -11.85158891
  H     13.93043514     10.85470774    -15.17478526
  O     16.41869531      2.91607168    -10.89455155
  H     17.77882782     11.82517002    -12.53711835
  H     12.56693902     10.97732703    -15.88971820
  O     15.38475437     12.23332403    -10.27391344
  H     16.66899092     12.51932546    -11.72077249
  H     15.68658740      4.64052391    -11.08656122
  O     18.13700462      6.39809295    -11.68118372
  H     16.01502018     10.55877677     -9.74363114
  H     15.17015007      5.39240851    -12.33712681
  O     15.24433257     11.47922077    -14.19905491
  H     15.59525119      9.11210666    -10.07659863
  H     19.08871839      3.51607051    -12.45443590
  O     13.17698064     10.34481610    -15.51808535
  H     13.77800766      5.45764246    -14.21027165
  H     18.82182022      4.66972028    -11.47395765
  O     15.47200996      5.51820087    -11.42449794
  H     15.25719108      5.82029239    -14.50547574
  H     12.79100922      9.32877088    -13.92717598
  O     18.94456340      3.71103704    -11.52043899
  H     18.55271082      6.31048191    -13.43182486
  H     12.36264392      7.91792250    -13.52460472
  O     12.62454840      8.77101337    -13.15602059
  H     18.89665394      5.23556831    -14.49055680
  H     20.48617944      8.83062248    -15.26832811
  O     20.04575603      8.66847444    -14.43748701
  H     13.64669812      8.66511680    -16.26340644
  H     19.68029334      7.77275260    -14.49831227
          69
 Energy    -248.51763636824415     
  O     16.41393616     12.79968728    -16.62721549
  H     16.37617585     13.49833174    -17.27459103
  H     14.77648954      5.69488191    -15.85246187
  O     15.68244679      7.01713514    -13.18267671
  H     15.51069078     12.69441485    -16.27735865
  H     16.48295529      8.57498803    -17.64815243
  O     18.09729203     12.47826633    -14.32771533
  H     15.53655518      7.39611356    -12.30050196
  H     17.16629704      7.26579366    -18.08374239
  O     18.83002279      6.62959031    -17.63722222
  H     16.62831334      6.95309056    -13.36443834
  H     14.68779138      9.56748245    -14.93863443
  O     13.63313932      8.31129561    -18.29780112
  H     17.60732834     12.67375287    -15.13455266
  H     15.55108395      8.62135964    -14.03833292
  O     17.24973085     10.11942732    -10.46761158
  H     17.43014411     12.23508830    -13.67128031
  H     13.01619436     10.58258470    -12.30770935
  O     11.80221720      8.07454238    -14.16226701
  H     19.17476494      7.35543845    -17.09982070
  H     12.49276342      9.18471339    -12.70602578
  O     13.55771974     12.39127815    -12.80541696
  H     18.69917641      5.89606402    -17.02490048
  H     18.87745844      8.18076448    -12.60534893
  O     18.02540561      4.71981540    -15.60659098
  H     13.28591884      8.13788395    -19.16898381
  H     19.50096943      9.59034525    -12.70610400
  O     15.08732466      8.30316469    -10.90040250
  H     14.56797470      8.05213996    -18.32710877
  H     13.29981948      9.23373487    -16.80591816
  O     13.52904380      5.90867944    -14.32266130
  H     17.92946017      9.67693355    -11.00885839
  H     12.58690593      9.18937690    -15.41735787
  O     15.55127468      5.51110166    -16.39151467
  H     17.65727461     10.33125439     -9.63262379
  H     19.73314617      9.44156991    -15.28644594
  O     16.30518057      7.70422363    -18.03228499
  H     12.36233308      7.28471735    -14.23476244
  H     18.51180134      9.27935218    -16.21330147
  O     15.52573095      9.48802437    -14.46163162
  H     10.89905842      7.76955824    -14.11730015
  H     18.63702773      7.59815950    -14.60676660
  O     12.91853628      9.67599074    -11.99496554
  H     13.36760393     13.11577541    -12.21445393
  H     18.34373733      6.09811208    -14.39917049
  O     19.06516187      8.98013842    -12.09804903
  H     14.49274213     12.15683766    -12.66967762
  H     20.98302946     11.26214591    -13.96459605
  O     13.19357062      9.70198449    -15.96485274
  H     18.11419173      3.77208198    -15.65342119
  H     19.45512706     11.40859382    -14.15971161
  O     19.26743416      8.80274115    -15.83915884
  H     17.11073126      4.93198889    -15.86803658
  H     16.83994566     10.99234349    -16.84972153
  O     18.35418415      6.95031607    -13.94497655
  H     15.76691142      8.93094162    -10.63082774
  H     16.50967435      9.83728689    -15.87781592
  O     20.17393930     10.76289281    -14.03494055
  H     14.31799098      8.81862711    -11.18706172
  H     15.92644995     10.74981331    -13.25160172
  O     16.95896412     10.04638673    -16.71218566
  H     14.31992362      6.26551574    -13.87615133
  H     16.48724095     11.07360216    -11.83103731
  O     16.11378924     11.46978323    -12.62810443
  H     13.38534933      5.03591474    -13.96393891
  H     13.72467315     12.49463410    -14.69996873
  O     13.92242433     12.37949647    -15.63694929
  H     15.70412650      6.29211423    -16.94000204
  H     13.57597024     11.50631739    -15.86693173
          69
 Energy    -248.51721202027011     
  O     16.97660104     11.63736058    -17.72320244
  H     17.02723395     10.94933214    -18.38193610
  H     18.74628720     13.68136103    -16.78698245
  O     18.79908646     17.84811126    -14.35428713
  H     17.81909537     12.11988912    -17.75968509
  H     13.52262481     13.22012008    -11.43296927
  O     16.29414463     15.34497313    -12.03635961
  H     18.78380985     18.33929622    -13.52305750
  H     14.01803804     13.49598480    -12.87432909
  O     14.34152722     15.84172741    -16.35654380
  H     17.94376124     17.40098018    -14.43259273
  H     21.57638318     16.28939233    -14.59846954
  O     16.60780070     11.68009278    -12.47210271
  H     16.29085975     15.70378751    -12.93346107
  H     20.25456361     16.82199537    -13.98665879
  O     13.78385902     13.67528975    -14.57497670
  H     15.55123122     14.73358627    -11.95706294
  H     17.72066308     14.23549536    -11.70761059
  O     21.49804723     13.38294810    -16.11557031
  H     13.72464000     16.37276376    -16.85276128
  H     18.90565674     14.08700671    -10.73321520
  O     22.17429926     16.00143479    -16.34623761
  H     14.84045616     15.31208836    -17.00440933
  H     16.32910100     11.77262608    -14.26949068
  O     17.52493020     17.10247832    -10.27543966
  H     15.80275491     12.13218690    -12.18759754
  H     16.36163408     11.69090843    -15.86673374
  O     20.18790847     13.68200839    -13.60763312
  H     17.33202995     12.16568533    -12.05847611
  H     20.51597280     16.79578764    -16.84211569
  O     15.84949474     14.39219222    -18.08658456
  H     14.51549020     13.10147706    -14.84999049
  H     19.32297957     17.50490562    -16.16573143
  O     19.11234913     13.37264920    -17.63368754
  H     13.83541555     14.45119477    -15.14304573
  H     20.36509763     17.88208082    -11.27624374
  O     14.30703912     13.37730502    -11.95087812
  H     20.76684643     13.23604630    -16.72981293
  H     21.18466229     16.82060325    -12.01851197
  O     21.05439416     16.31264851    -13.78792492
  H     21.13113529     13.28073792    -15.22703251
  H     18.29227571     18.34651845    -11.21931891
  O     18.44680338     13.64485044    -11.45830554
  H     22.00027344     15.04362541    -16.31180969
  H     18.65045445     19.83800121    -11.42006018
  O     16.04627594     12.18248464    -15.10153523
  H     23.05523429     16.11074937    -16.69332806
  H     20.22453327     15.94796984    -10.10305504
  O     19.62420481     17.12935313    -17.00162630
  H     16.98222763     16.53598588    -10.84246424
  H     20.15857750     15.20913396     -8.74629312
  O     20.97550232     17.14875744    -11.13312947
  H     18.18039871     16.51805556     -9.87667320
  H     18.74048098     13.92987014    -14.63293401
  O     18.81859667     18.96328463    -11.76000807
  H     20.53053285     14.58807533    -13.58365398
  H     17.31832031     13.45228644    -15.11618389
  O     19.69190072     15.33195324     -9.56848059
  H     19.66666192     13.55914235    -12.80266639
  H     18.70196922     16.27237370    -18.19474469
  O     18.01194794     14.11564702    -15.24086314
  H     16.64791452     14.85834695    -18.36748962
  H     18.36405671     16.19720188    -19.70037320
  O     18.26181998     15.73108282    -18.87506856
  H     16.09185846     13.46600116    -17.98975560
  H     17.08244136     15.56775962    -14.92558058
  O     16.52495959     16.31323762    -14.64810249
  H     18.97618460     14.10655795    -18.24494108
  H     15.73762802     16.29044981    -15.20359405
          69
 Energy    -248.51704803963509     
  O     15.49858736     11.92336686    -13.48388158
  H     16.19411941     11.83351711    -12.82243545
  H     18.42356244      3.25996716    -13.55840160
  O     14.59308032      6.04666526    -13.97132519
  H     15.73352522     11.35459993    -14.22933963
  H     20.41011405     10.95483929    -13.27060953
  O     16.62949904      6.51778951    -10.16136230
  H     13.83662487      6.44558657    -13.51669694
  H     19.51290448      9.74685875    -12.94710137
  O     19.04052927      8.07411851    -13.22467098
  H     14.44485275      6.17561623    -14.91767317
  H     15.77557176      7.40090454    -13.60330316
  O     12.54298789      7.41243938     -9.17855267
  H     16.49069382      7.46112155    -10.31951394
  H     16.08540867      8.85027216    -14.06819862
  O     12.50210270      7.38430229    -12.81210452
  H     16.03022918      6.27391273     -9.44435807
  H     12.37287083     12.15497167    -13.04617510
  O     16.06815351      9.18020145    -10.87946294
  H     19.23689369      7.40946800    -12.54789853
  H     13.82611206     11.63540893    -13.17294102
  O     16.75837328      7.83408190    -17.02102250
  H     18.07445950      8.11000086    -13.29181406
  H     13.99229586      4.57475134     -9.59691413
  O     11.41757797      5.51988131    -11.03858225
  H     12.01611810      6.82802372     -9.73732621
  H     14.39136443      4.10459805    -11.00609575
  O     18.36109565      6.36559317    -15.36978167
  H     12.73690361      8.19202360     -9.71544944
  H     12.84800261     10.00950738    -14.42472274
  O     14.09320050      6.93815603    -16.52390162
  H     12.80104927      8.05728116    -12.18379078
  H     12.75360066      8.49083267    -14.31846424
  O     18.19896443      4.18343416    -13.47316573
  H     12.00870494      6.73084228    -12.30076173
  H     18.38226971      6.13491842    -10.86788242
  O     19.64353184     10.69328555    -12.76813368
  H     16.56648219     10.00528094    -10.89634235
  H     18.94581528      5.31304266    -12.05099705
  O     16.27869597      8.19506137    -13.38575927
  H     16.11108531      8.82634073    -11.78379772
  H     16.14017431      5.28496217    -11.44147920
  O     12.89989731     11.36041077    -13.04415302
  H     17.18074925      7.83857896    -17.87627754
  H     15.39338372      5.03994799    -12.79239881
  O     13.65403927      4.12788264    -10.38311976
  H     17.31065831      7.27723995    -16.44435769
  H     14.58586234      5.78276429     -7.36669523
  O     13.00554713      9.19949337    -14.92674270
  H     10.64551146      4.96230402    -10.99943317
  H     13.88428317      6.47565026     -8.55968163
  O     19.16383454      6.01231838    -11.42256035
  H     12.18565151      4.95227286    -10.84572780
  H     14.26553690      9.36568047    -10.91811188
  O     15.87886168      4.60108420    -12.07553261
  H     18.78289713      6.98293123    -14.75757740
  H     13.10999473     10.12510128    -11.63328452
  O     14.60621751      5.86863944     -8.31596634
  H     18.26238036      5.55048215    -14.86471611
  H     18.27175875     11.29366808    -11.88762765
  O     13.30602938      9.38495346    -11.04612503
  H     13.61436552      7.72905987    -16.25221574
  H     17.71819107     12.28380820    -10.83751177
  O     17.46403169     11.57500696    -11.42300792
  H     14.96853222      7.23135638    -16.81011991
  H     14.73248690      9.67219553    -15.38957786
  O     15.66739603      9.91885177    -15.45932940
  H     17.35286824      4.21937441    -12.99632284
  H     16.08150616      9.31657509    -16.09097791
          69
 Energy    -248.51689366156239     
  O     16.12005142     10.29405811    -15.29675938
  H     16.86399778      9.67709503    -15.36633540
  H     13.77804488     11.78149293     -8.71632631
  O     15.54741898      7.14836326     -9.26531367
  H     15.30122661      9.81182211    -15.47147455
  H     16.19410328      4.80964071    -15.53368563
  O     17.23125042     12.73795729    -14.90049943
  H     15.83968874      6.55671911     -8.57799318
  H     17.35253058      3.79221933    -15.66511820
  O     13.09980975      8.51057768     -9.84227326
  H     15.97988045      8.00692984     -9.10172094
  H     15.74571091      8.15333310    -12.18890822
  O     13.82180131      8.81137233    -15.60442180
  H     17.49100795     13.12895708    -15.73150204
  H     15.69686968      7.05373786    -11.09058682
  O     18.35634962      8.69975879    -15.19497577
  H     16.77814388     11.90373149    -15.11709462
  H     17.38807746      6.17812707    -16.71181513
  O     17.96261560      6.51025209    -13.48251170
  H     13.83906968      7.93920344     -9.60311696
  H     17.78608595      7.66242900    -16.65092702
  O     11.62679234      8.11572082    -12.08034142
  H     13.37006327      9.40245208     -9.59169086
  H     15.63905116      7.21419443    -17.62203489
  O     15.50573570     13.79950983    -12.96716091
  H     14.00059627      8.34811011    -16.43271263
  H     14.53145067      7.20401934    -18.70262085
  O     12.41336265     10.38332540    -13.64619576
  H     13.74221011      8.12597300    -14.92529333
  H     16.00549927     10.02548079    -13.48799881
  O     13.96588837     11.78673447    -11.89020393
  H     18.79995823      9.42381906    -14.72894169
  H     15.21510161     10.49944387    -12.24491208
  O     14.14094833     11.10449172     -9.28148342
  H     18.26353032      7.96780189    -14.57008512
  H     18.66258666     11.64499495    -14.03535225
  O     17.16175285      4.70797232    -15.48138209
  H     17.75706043      5.81305240    -14.11670623
  H     19.02675936     10.76579166    -12.82030156
  O     15.72614627      7.19405390    -12.04467017
  H     17.15624710      6.67855021    -12.97153747
  H     17.45987621     10.03866901    -11.65159010
  O     17.32353236      7.01150023    -17.19472119
  H     12.13816863      8.25087129    -11.26236490
  H     18.75463916      9.27332113    -11.23187591
  O     14.67502194      7.23928201    -17.76094824
  H     10.73741338      7.89737120    -11.81488582
  H     14.30696463      6.85481649    -13.08264752
  O     15.88888596      9.87568689    -12.54173078
  H     16.12956512     13.47645484    -13.63419226
  H     12.78850924      7.14071209    -13.15820786
  O     19.21382970     10.90535389    -13.75764324
  H     15.91057348     14.57490045    -12.58506882
  H     19.10541339      7.18307819    -12.22972554
  O     18.29143460     10.12227171    -11.16059791
  H     12.80816986      9.98580509    -14.43119107
  H     20.51489625      7.54518565    -11.73959058
  O     13.53633601      6.80465345    -13.66706251
  H     12.05488886      9.64855387    -13.13183491
  H     17.24621363      9.89398598     -9.59572613
  O     19.58855489      7.69504021    -11.56339334
  H     13.35684484     11.40431699    -12.54008833
  H     15.83626464     10.23511257     -9.03577934
  O     16.57830093      9.62368457     -8.95235006
  H     14.42542804     12.54059018    -12.28572224
  H     14.43307489      5.79593959    -16.48993988
  O     14.50868812      5.19195654    -15.74126041
  H     14.04562942     11.42119935    -10.19686792
  H     14.07566983      5.63363841    -14.99793626
          69
 Energy    -248.51659796271466     
  O     11.56041651     11.20174696    -11.25173089
  H     11.97015783     12.05084152    -11.45494610
  H     13.73909539      6.81377752    -13.54788406
  O     12.98405838      8.98773030    -17.27245571
  H     11.54782544     11.09928976    -10.28745412
  H     10.57978505     10.35127337     -8.30131207
  O      9.55545863      9.60928062    -14.86827003
  H     13.83791286      8.85503810    -16.82055604
  H     12.10229801     10.33023254     -8.10761689
  O      7.77403076      8.73037989    -10.19079283
  H     13.15851534      8.93435282    -18.20777317
  H     16.64284549      9.05543188    -11.83561534
  O     13.13126384     13.39711051    -11.91975826
  H     10.31924311     10.15783802    -15.11572096
  H     15.42447025      8.42703519    -11.13019207
  O     15.28155841      8.68858215    -15.90855761
  H      8.81536425      9.92266396    -15.38254193
  H     11.35865261      7.29775812     -9.13707294
  O     13.63835922     12.97351774    -14.56371528
  H      7.29267630      7.97868415    -10.52783494
  H     10.46356599      7.84875692     -8.00822535
  O     17.22693722     10.86655444    -11.99494274
  H      8.38428296      8.99712321    -10.89798441
  H     14.37648325     12.21945356    -11.02174984
  O     13.28216182      8.94017496     -7.39323408
  H     13.09643438     14.33168170    -11.73443590
  H     14.54899603     10.78203627    -10.45336810
  O     11.90845611     10.87903094    -15.49041020
  H     13.30558773     13.30517053    -12.87253601
  H     11.85999417      7.85665081    -16.23062164
  O     13.08380591      9.86594000    -13.20889049
  H     15.47226861      9.49639041    -15.41195718
  H     10.60657455      8.02377251    -15.35420494
  O     12.83516119      7.05901193    -13.31756533
  H     15.42267685      7.95984416    -15.29265937
  H     13.93877815      8.97549503     -9.11961091
  O     11.39246602     10.80882294     -8.55104757
  H     12.95572040     12.47422902    -15.02744613
  H     13.18193118      8.61274335    -10.41195911
  O     16.14610777      8.23417920    -11.74393356
  H     14.40901624     12.38787001    -14.54192113
  H     12.04209628      7.26437118    -11.71942225
  O     11.25237419      7.31763675     -8.17515897
  H     16.48330800     11.20082972    -11.45868131
  H     10.90883004      8.21872266    -11.28852444
  O     15.01786166     11.60416600    -10.65034222
  H     18.01493927     11.29541607    -11.67470904
  H     16.10198550      5.92211505    -13.86752249
  O     11.31435679      7.40659236    -15.57245154
  H     13.63971435      8.72954364     -6.53579183
  H     15.81746935      7.23858113    -13.10418845
  O     14.00206314      9.00241241    -10.08289688
  H     12.59060393      8.27987996     -7.58362156
  H      9.58307931      9.44247502    -13.01445625
  O     11.62968384      7.67605138    -10.94611949
  H     12.32712397     10.54502671    -14.67986370
  H     10.24008162     10.15277793    -11.79363814
  O     15.55861439      6.70518835    -13.87860511
  H     12.27043148     10.34947198    -16.21339822
  H      8.58811553      9.04521336     -8.66879440
  O      9.66241402      9.41849797    -12.05394486
  H     12.62037825     10.22762956    -12.44309821
  H      8.50270786      9.37863705     -7.16330007
  O      9.11889391      9.20022078     -7.86903140
  H     12.99911320      8.90442749    -13.19608092
  H     16.18316634     10.92695867    -13.53807560
  O     15.47911777     10.88824437    -14.19589252
  H     12.30189217      7.05872496    -14.12670515
  H     14.70502641     10.50702058    -13.75094748
          69
 Energy    -248.51656541879441     
  O     10.04237088     11.26769161    -11.73081718
  H     10.31695056     10.44167802    -11.31758764
  H     13.38090548     12.13954497    -12.77778219
  O     14.85792239      9.82777178    -17.92141352
  H     10.26050786     11.20071311    -12.66966191
  H     17.12464819     11.99830205    -12.09757754
  O     13.17524374      8.39755710    -11.86536216
  H     15.21487919      9.37232408    -18.67853236
  H     17.13959582     10.43591340    -12.30000892
  O     15.30411406      9.99835616    -15.14533891
  H     13.94316826      9.51337126    -17.80530364
  H     16.45266739      9.16783841    -13.93757675
  O     12.70749795     11.29635372     -9.26003778
  H     13.54973004      9.29429223    -11.90210142
  H     16.61508099      8.36399549    -12.61183839
  O     13.93693690     12.46959257    -17.27627135
  H     12.42038257      8.45698052    -11.26754197
  H     12.88402947     14.09104857    -12.08189030
  O     12.78067228      8.98193360    -14.55793361
  H     15.35501271     10.95158810    -14.98711394
  H     12.12919054     14.24419513    -10.75814698
  O     15.67518137      7.54435744    -11.07543467
  H     15.30400704      9.87531536    -16.10318119
  H     16.43948907     13.91270841    -11.92011813
  O     14.13086759     10.95686607    -11.69279177
  H     12.11176424     12.04697385     -9.39085282
  H     17.64324949     14.43047457    -12.74219620
  O     11.17445342      9.15698955    -10.06908529
  H     13.49207836     11.60000845     -8.78473778
  H     10.91631134     11.41678053    -15.30315715
  O     15.48587961     14.02340485    -10.47731176
  H     14.46365688     12.72390536    -16.50768639
  H     11.56362817     10.33308414    -14.41300098
  O     12.96862928     12.77591189    -13.38370259
  H     14.34392387     11.66378000    -17.61803678
  H     15.60952283     12.25323649     -7.48504520
  O     16.95105855     11.15184986    -11.67359801
  H     13.65952900      9.35205943    -14.73089612
  H     15.64071862     11.19291740     -8.61042283
  O     17.07826779      8.93280304    -13.23785657
  H     12.82671445      8.57380039    -13.68550486
  H     15.94297108     13.16884371    -14.20835480
  O     12.89831044     14.56773373    -11.23995935
  H     14.75757352      7.72378321    -11.33646379
  H     14.43509267     12.87651943    -14.36014698
  O     16.97026955     13.75546677    -12.72345144
  H     15.74286479      6.60078511    -10.94832008
  H     10.78949868     12.39901204    -17.69015503
  O     10.97667906     11.10341689    -14.39188133
  H     15.08953373     11.05725679    -11.62737632
  H     12.21281096     12.15542602    -17.13846552
  O     15.20053166     12.00927748     -8.31127247
  H     13.73756214     11.14560829    -10.83113490
  H     16.77480235     10.32536086    -10.09858340
  O     15.29218498     12.78387114    -14.80573997
  H     10.67553734      8.77772765     -9.34988335
  H     16.14566960      8.97792352     -9.74831278
  O     11.28630950     11.86068866    -17.07987114
  H     11.72855014      9.85937638     -9.68639367
  H     10.45033025     12.56898139    -10.64189523
  O     16.40318929      9.81913954     -9.35829206
  H     14.57555269     14.28926769    -10.68058537
  H      9.98836756     13.57595441     -9.56134701
  O     10.76360803     13.18372943     -9.95350481
  H     15.43658673     13.39282838     -9.75353846
  H     11.80926688     10.00865849    -17.34096616
  O     12.28521704      9.16884959    -17.32859846
  H     12.21236936     12.32140248    -13.77208319
  H     12.34538673      8.91813684    -16.39634548
          69
 Ord_Energy   -248.516525    
 O   -9.07754040      0.315871894     -0.882606804    
 H   -9.57426643      0.510325313      -1.67263615    
 H   -9.70320606      -7.50210881E-02 -0.245378196    
 O   -10.7170877     -0.784699440      0.981732726    
 H   -10.5638876     -0.423585624       1.86503518    
 H   -10.7735653      -1.74204493       1.08346343    
 O   -4.28504944      -3.09383440       2.73046374    
 H   -5.03480911      -3.70717025       2.70519257    
 H   -3.87180400      -3.23968506       3.59004426    
 O   -7.64354992      -1.06688571       2.51604462    
 H   -6.80595684     -0.783493161       2.90249562    
 H   -8.34744358     -0.482142091       2.82461643    
 O   -7.92455578       2.27275848      0.830012918    
 H   -8.24761772       1.61777031      0.199939698    
 H   -7.01658487       2.03888273       1.05540717    
 O   -9.30865097       2.97674990       3.03581190    
 H   -9.79480362       3.78638315       2.90813589    
 H   -8.85452652       2.78185701       2.19440866    
 O   -8.66149902      -3.47381353       3.22524643    
 H   -8.28715420      -2.62090373       2.95077968    
 H   -9.44046974      -3.61726165       2.67625594    
 O   -8.53289413      -3.99912548     -0.361844867    
 H   -8.07240105      -3.14881659     -0.370929897    
 H   -7.84024668      -4.66696405     -0.306476206    
 O   -6.71077299       2.59299541       4.17525768    
 H   -7.60716867       2.83736515       3.91961670    
 H   -6.79660702       2.01966763       4.95063019    
 O   -7.97278309      -2.89875984       5.85342789    
 H   -8.23809433      -3.14827943       4.95526600    
 H   -7.13182545      -2.41904402       5.80225325    
 O   -5.99038363      -5.06167412       5.51734686    
 H   -6.73370218      -4.52786160       5.81820679    
 H   -6.13188410      -5.20524549       4.57042313    
 O   -4.85568571      -3.22392273      -6.74069300E-02
 H   -5.54845667      -2.55614614     -0.171118945    
 H   -4.47083187      -3.09135914      0.807640493    
 O   -9.87739563      0.280302554       3.46158481    
 H   -9.75810909       1.23893344       3.42586565    
 H   -9.86768913       4.96829022E-03   4.38651371    
 O   -9.59194374     -0.670589209       6.11185360    
 H   -9.08632278      -1.49987376       6.08553410    
 H   -10.2013874     -0.746818066       6.84211111    
 O   -10.6537228      -3.64144278       1.25769579    
 H   -11.3679380      -4.23553514       1.04441965    
 H   -9.93478870      -3.82236814      0.623567522    
 O   -3.68400264      -3.62235236       5.48980141    
 H   -4.45321798      -4.21648216       5.56019735    
 H   -2.98455644      -4.01577330       6.00425577    
 O   -7.13181210      -1.55915678     -0.146607369    
 H   -7.68502474     -0.916308105     -0.605729342    
 H   -7.28649378      -1.39593899      0.796125174    
 O   -5.53797913      -1.48371243       5.84661531    
 H   -5.37485266      -1.03894925       4.99980164    
 H   -4.84037209      -2.14378572       5.92258739    
 O   -6.19060040      -5.58682013      -6.80868980E-03
 H   -5.77244854      -6.26874924     -0.524888337    
 H   -5.65187502      -4.78104782     -0.112823978    
 O   -5.29466057       1.90609372       1.99082065    
 H   -4.65189886       2.57922149       1.78292143    
 H   -5.74932241       2.19332147       2.80693746    
 O   -7.11754417      0.828564644       6.27812815    
 H   -7.99551487      0.432114422       6.29685354    
 H   -6.50038815       8.73890370E-02   6.32535648    
 O   -5.08381128     -0.509397328       3.34101653    
 H   -4.70474863      -1.30674005       2.94522357    
 H   -4.96366835      0.251289070       2.75986767    
 O   -6.38759565      -4.96358204       2.73689508    
 H   -7.23552418      -4.50576210       2.83314943    
 H   -6.35597181      -5.32468987       1.84338343    
          69
 Energy    -248.51647813752723     
  O     19.80783334      8.23659541     -7.08423696
  H     20.31051439      7.86062999     -7.82612460
  H     19.07733251      5.12316668     -7.44482365
  O     16.87601897      5.35023763    -10.64876603
  H     20.44702040      8.52850707     -6.43883034
  H     18.38377719      9.16406405     -7.89792568
  O     17.60173482      6.69066853    -13.84912660
  H     16.22187041      5.62443268    -11.30290401
  H     16.85732016      9.08829750     -8.24591441
  O     18.34409681      9.14448799    -12.80679545
  H     17.47592678      6.10625921    -10.54972734
  H     20.29758640      5.08523729    -14.05408940
  O     21.54855141      7.56246051    -11.99562533
  H     17.80394741      7.61370336    -13.63816132
  H     19.11480526      5.89803122    -13.48710151
  O     15.12979573      6.57794215    -12.42588668
  H     16.70930122      6.54213206    -13.51512057
  H     12.32787834      7.56047380    -11.02371892
  O     21.02660609     10.06344702    -12.87095888
  H     19.23551327      9.48301951    -12.95217339
  H     13.22509074      8.80490318    -10.90155798
  O     20.41143750      4.31103691     -8.57310303
  H     17.88802386      9.78355980    -12.24262425
  H     14.37034355      8.28238847     -8.01411236
  O     13.18122051      5.42896283     -8.71928041
  H     21.05700660      6.85625282    -12.43511014
  H     15.53036047      7.26119235     -8.16321908
  O     20.88031056      6.97127508     -9.30010731
  H     21.52828553      7.36123686    -11.05221828
  H     15.70554084      9.74466375    -11.05019384
  O     18.46612768      7.59646195    -10.44656028
  H     15.17027383      7.45042861    -12.00771631
  H     15.19907054      8.67897520    -10.04781457
  O     18.43783404      5.65043766     -6.94961575
  H     14.26369510      6.21325678    -12.20489234
  H     20.23305247     11.45326637    -11.89401506
  O     17.70592196      9.47632137     -8.50921799
  H     21.27988163      9.18938018    -12.52329595
  H     20.26806061     12.80649839    -11.16759064
  O     19.99137823      5.53374901    -13.26935247
  H     21.54540619     10.20261713    -13.65934698
  H     16.73192445      5.49566455     -7.55076149
  O     12.35391484      8.45747213    -10.66715081
  H     20.00615180      4.11977466     -9.43891156
  H     16.21033838      5.34104499     -8.99633742
  O     15.30250196      8.19876983     -8.24758145
  H     20.89241899      3.52927920     -8.31646511
  H     11.80065737      8.55164843     -7.48988548
  O     15.11661918      8.98673821    -10.96202831
  H     14.08757739      5.30699610     -8.40619256
  H     12.35596549      8.31730055     -8.91637064
  O     19.67785259     12.11339103    -11.45375970
  H     12.87388623      6.25441093     -8.32554144
  H     17.42467932     10.51058383    -10.00184710
  O     15.92574509      5.50878973     -8.08515164
  H     20.04088586      7.13981465     -9.76064728
  H     18.00732870     11.45220425    -11.07497933
  O     12.51011374      8.13608525     -7.97154704
  H     20.86821356      6.03946659     -9.04369546
  H     18.34345375      4.27632885    -10.88774425
  O     17.25771545     10.86999550    -10.88570810
  H     18.48563633      8.03750299    -11.30478971
  H     19.59312385      4.43999776    -11.76540412
  O     19.26093821      3.98346675    -10.98357123
  H     18.15343585      8.24296139     -9.80031973
  H     12.03302015      5.03968963    -11.65633669
  O     12.66832482      5.69470819    -11.38007641
  H     18.83360500      6.52399742     -6.86201454
  H     12.86040127      5.51989317    -10.44125981
          69
 Energy    -248.51631780596347     
  O     10.27445600      8.69365568    -10.55161394
  H     11.23242287      8.84720277    -10.61054096
  H     17.21780449      8.70095687    -16.80890083
  O     14.19501328      8.50902814    -15.20088480
  H      9.96006321      9.20340840     -9.80950290
  H     13.97162056     11.38308963    -13.22397944
  O     17.88760401      9.06792655    -10.05720744
  H     14.90284316      8.53008349    -14.53769624
  H     15.30587601     11.89062221    -13.81115916
  O     16.46234327     11.92439298    -15.39779456
  H     14.56157585      8.91591779    -15.99383349
  H     16.94974285      9.21424329    -13.70843746
  O     12.62419283     10.13468011    -13.57595448
  H     17.04939456      9.46869286    -10.34275962
  H     15.96205868      9.01160207    -12.53375667
  O     15.62178529      4.69147693    -11.20566743
  H     18.08948075      9.43766161     -9.20112042
  H     10.35013834      6.83138477    -11.00960490
  O     13.08484864      6.09556101    -14.42504068
  H     16.79907855     12.80540235    -15.54291122
  H     11.56134684      5.95252151    -11.36873261
  O     15.52956028     10.03835332    -11.03370147
  H     17.19407580     11.40363039    -15.01880034
  H     20.29498542      5.75964786    -13.25154374
  O     15.64084052      9.90068734    -17.15739693
  H     13.09381439      9.59047774    -14.22239044
  H     18.87573410      6.29024389    -13.56165968
  O     15.43611041      4.52112531    -14.08850804
  H     11.69042194      9.88156036    -13.61558243
  H      9.57837599      5.73790846    -14.46501387
  O     18.31982884     10.21836146    -14.45185568
  H     15.72135776      3.93595762    -10.63230285
  H     10.31731362      6.09475461    -13.15271775
  O     18.03783376      8.35556135    -16.43882264
  H     16.38347605      5.27317222    -11.03502024
  H     19.75535940      8.19659045    -12.53193536
  O     14.80821627     11.81092083    -12.99099515
  H     13.42102049      6.91785837    -14.80936381
  H     19.11026026      9.17180687    -11.52874930
  O     16.24516180      8.64074577    -13.37645534
  H     12.12107642      6.12779884    -14.46330535
  H     16.96864113      7.11270157    -14.01856976
  O     10.59624292      5.99329822    -11.42095856
  H     15.37200448     10.78029923    -11.63880049
  H     16.76455625      5.64968053    -14.48183759
  O     19.60976815      6.33658319    -12.92482820
  H     14.66351232      9.65998333    -10.83319549
  H     17.76605186      7.21003058    -10.45547494
  O     10.28064068      6.27624590    -14.10924194
  H     15.45889722     10.24214575    -18.02986302
  H     18.45068731      6.23737848    -11.43460675
  O     19.63935490      9.13475462    -12.33494509
  H     15.87744664     10.66152874    -16.60301477
  H     13.32070541      6.22925909    -12.63124803
  O     17.38762836      6.38929352    -14.50812105
  H     14.58436466      4.92664523    -14.29751865
  H     14.13969248      5.73914241    -11.40633046
  O     17.75300533      6.29881427    -10.77038179
  H     15.48250510      4.47067880    -13.12557232
  H     13.16731399      7.99910404    -11.23890555
  O     13.38998617      6.28714407    -11.66716970
  H     18.40593068      9.58330283    -15.18024389
  H     12.86809273      9.36523808    -11.93758799
  O     12.97882360      8.93615483    -11.07533540
  H     18.89745167      9.93882865    -13.72689110
  H     10.10537863      8.17059559    -13.75946873
  O     10.09857890      9.07262195    -13.41652651
  H     17.80601816      7.56124468    -15.93778188
  H      9.97993435      8.98947588    -12.46234449
          69
 Energy    -248.51602775989758     
  O     10.70738455      9.12216560    -11.46714811
  H     11.44431179      9.62696996    -11.84721981
  H     15.52629356      7.10635638    -18.42259789
  O     13.90907318      6.75615578    -15.31677039
  H     10.13679009      9.75508462    -11.03743295
  H     18.06295284      6.91713149    -15.67862767
  O     16.35082848     11.04550773    -11.18456991
  H     14.38696571      6.85926075    -16.14943159
  H     17.97406887      8.42019952    -15.99626128
  O     15.72220457     11.92547394    -15.69616337
  H     13.27578894      7.48590573    -15.25052217
  H     15.06195009     12.29159990    -14.04962793
  O     12.27624334      8.96503334    -15.02254770
  H     15.87262875     11.59847820    -11.81108418
  H     14.58168633     13.39169147    -13.07962754
  O     16.88322213      5.46617736    -10.34953011
  H     15.80447952     10.25336734    -11.07967042
  H     15.18011598      7.56533279    -14.30840893
  O     13.60721570      5.01143181    -13.19447509
  H     15.17364369     11.23045424    -16.10563907
  H     16.61196534      7.26761547    -13.80359329
  O     14.78500943      8.73965609    -11.43326334
  H     15.97092962     12.52502585    -16.39485555
  H     12.32393793      6.41910561    -10.37428542
  O     14.25626502      9.94735130    -16.76002569
  H     11.47453355      8.48039142    -14.77511055
  H     11.18872627      7.42445319    -10.70875730
  O     16.30614904      4.17980120    -12.89205830
  H     12.53068649      9.47329972    -14.24085154
  H     19.81413482      7.01364746    -11.21092467
  O     17.54335699      9.87841662    -14.85396641
  H     17.55140440      6.07517207    -10.70077140
  H     18.73735759      8.00496985    -11.69614591
  O     15.46251770      7.46000705    -17.53946955
  H     17.26946898      5.05451219     -9.57941283
  H     10.20064370      4.30233001    -12.51597693
  O     17.92686118      7.54379771    -16.40183242
  H     12.65932775      4.86531361    -13.08689861
  H     10.95454035      5.47842839    -11.84851423
  O     14.68397762     12.44673586    -13.16968043
  H     13.71025152      5.56476742    -13.98218709
  H     18.37793612      9.78053939    -13.14703954
  O     15.90004019      7.92074979    -13.77294203
  H     15.26025167      8.49219407    -12.24261822
  H     17.85475432     10.17722562    -11.75803922
  O     11.36767183      6.50137779    -10.49135822
  H     14.50672749      7.90948818    -11.03034649
  H     17.43447925      5.29914064    -13.72351364
  O     18.89773139      7.07020979    -11.47017160
  H     14.67479190      9.14823392    -17.10139823
  H     18.44805324      6.35013033    -13.19368096
  O     10.83162453      4.99652149    -12.68672273
  H     13.47426750      9.66077324    -16.26947282
  H     13.99078938      5.77417325    -11.56873940
  O     18.51140612      9.62385678    -12.20442996
  H     15.36083409      4.31278319    -13.04188252
  H     15.05628917      5.90521611    -10.45132018
  O     17.97241278      6.06383461    -13.98226784
  H     16.47087032      4.45457279    -11.98228905
  H     13.39480105     11.12752345    -12.81188047
  O     14.15545184      6.15270551    -10.69145070
  H     16.89191402      9.26384653    -14.47863785
  H     13.53980162      9.72932653    -12.17065625
  O     12.91462081     10.31158156    -12.63152360
  H     17.04478554     10.64654846    -15.15001630
  H     10.38443718      6.65353564    -13.59548803
  O     10.23115065      7.56959967    -13.85542221
  H     16.36472318      7.46453296    -17.17342462
  H     10.23745829      8.07659156    -13.03364489
          69
 Energy    -248.51584776937119     
  O     16.69077163     11.26366520     -9.47600432
  H     17.18106675     11.65171769     -8.75682539
  H     17.74292760      5.38920761    -13.92882770
  O     11.68162006      7.11451039    -12.28243626
  H     16.90948362     10.31390251     -9.48484140
  H     14.22415421      8.50158793    -11.91200425
  O     17.61983964     10.21907110    -14.17711502
  H     12.11483274      6.25964228    -12.38578017
  H     15.65267842      8.49913441    -12.53673377
  O     17.40343707      8.11939697    -12.33969171
  H     12.10980271      7.54867454    -11.53081447
  H     14.82878160     11.13009045     -9.73920495
  O     13.26866340      8.39928187    -10.37693792
  H     16.95115567     10.37101803    -14.85469934
  H     13.82223949     11.63044703    -10.78167816
  O     15.50329768     10.72279363    -16.08699099
  H     17.43022979     10.86490047    -13.47822017
  H     13.61257486      4.52820287    -13.42067055
  O     16.48397949      5.12528696    -16.87879024
  H     17.59842099      8.77462586    -13.02332712
  H     12.60932911      3.74110168    -12.55139137
  O     11.37651970      8.69352588    -14.46265038
  H     17.34781485      7.24494989    -12.74775873
  H     14.00792937      9.97419277    -13.60684190
  O     15.38580162      5.13748227    -11.02029872
  H     13.83285398      7.88298192     -9.78796247
  H     12.65746383     10.10059867    -14.33497573
  O     13.81111503      7.36542500    -15.00246485
  H     13.41001050      9.33763639    -10.17599270
  H     15.23687524      6.17497541     -9.66010763
  O     14.67793726      4.80313724    -14.82423001
  H     15.49759826     11.57250892    -16.52207747
  H     15.05142463      6.32086657     -8.12978069
  O     16.99808544      5.53144102    -13.33065061
  H     14.74513772     10.71317114    -15.48191163
  H     19.83015723      5.18276444    -15.51351482
  O     14.71673771      8.61847304    -12.73440563
  H     16.30349677      6.04792544    -17.09564538
  H     18.87577619      6.40300637    -15.50827792
  O     13.91014003     11.04013574    -10.02507985
  H     17.36433029      5.11745616    -16.48279874
  H     16.52093222      8.00966195     -9.31670172
  O     13.07739417      4.57118206    -12.61027623
  H     10.47368155      8.65429930    -14.76502808
  H     17.37008474      8.41390652    -10.54572388
  O     13.47949990     10.57417735    -14.16059304
  H     11.42458151      8.14966998    -13.65393448
  H     15.76669842      8.94884633    -16.81747630
  O     15.10333613      6.81925909     -8.94074927
  H     14.56892106      4.91454886    -11.48267922
  H     15.12121990      7.70072419    -16.23183586
  O     18.92554388      5.44027182    -15.36080335
  H     16.06637280      5.21725513    -11.69972623
  H     16.83654003     11.73656560    -11.29645483
  O     17.19121965      8.63276036     -9.61994212
  H     12.91791935      7.72161170    -15.05030818
  H     15.85646163     12.29203994    -12.33463048
  O     15.83573350      7.98654512    -16.81907316
  H     14.18463954      7.71206562    -14.17666495
  H     17.58882616      7.99681108    -16.19899630
  O     16.75195842     11.95017804    -12.23439888
  H     15.25192428      4.69536604    -15.59563573
  H     18.43961076      8.84452783    -15.24455004
  O     18.46878172      8.05839336    -15.80126764
  H     14.27525751      5.68089247    -14.92265223
  H     13.69164804     11.99108184    -13.08328946
  O     13.95269585     12.65294804    -12.42268974
  H     16.20707097      5.29282115    -13.83120047
  H     13.45351769     13.44388983    -12.61039300
          69
 Energy    -248.51566081007718     
  O     12.51952150      8.13667314    -10.07576394
  H     11.78256541      7.95757208     -9.49941841
  H     16.27661462     10.77166920    -14.27065638
  O     16.90845521      5.10838950    -12.74014299
  H     13.15764401      7.40758255     -9.95667791
  H     14.94502130      7.73706558    -12.85141042
  O     11.59546208      7.36962279    -16.05791020
  H     17.68344932      5.39601632    -12.24237942
  H     16.21367558      6.82529839    -12.87618061
  O     16.77689458      7.39610120     -9.80679357
  H     17.15951550      4.98956746    -13.66969782
  H     14.33322981      5.49426663    -10.70621650
  O     13.19354903      5.69838666    -14.35377089
  H     11.96923648      6.68334135    -15.49258171
  H     15.20766338      6.53071102     -9.92996997
  O     13.30193424     10.60382107    -13.49662742
  H     12.15218491      7.39193687    -16.84659193
  H     19.19588834      7.05253822    -11.99664628
  O     13.70748764     10.22071392    -17.10803499
  H     17.56839141      7.09253249    -10.26513597
  H     19.81031978      6.08602316    -10.95597882
  O     17.43753924      4.98136695    -15.41669955
  H     16.76533213      8.35751775     -9.88262678
  H     15.32910071      4.45910677    -12.38463211
  O     16.30385678      8.13351247    -15.73767692
  H     13.11854787      6.52267420    -13.84657794
  H     14.38792102      3.30255736    -11.97987403
  O     14.93437756      5.86789537    -16.55236911
  H     13.49646026      5.04630586    -13.71180608
  H     16.78426241      9.23009396    -12.83566749
  O     18.93829619      7.42192410    -15.88868072
  H     14.11231187     10.69735069    -14.01697032
  H     17.17472986     10.32169593    -11.83558700
  O     15.66312764     10.70217309    -15.01397828
  H     12.56843812     10.54507098    -14.12268187
  H     18.81418785      9.01427902    -13.08901080
  O     15.88118326      7.70641079    -13.08318498
  H     12.88063012     10.28389754    -16.61225961
  H     19.36157975      7.99733393    -14.12338152
  O     14.31299643      6.16651217    -10.01856447
  H     14.38821714     10.57765321    -16.52700057
  H     16.77276102     10.85778985     -9.31580431
  O     18.98472326      6.35772839    -11.34759809
  H     18.05742897      5.68494604    -15.64277854
  H     15.63928169     10.39622577    -10.25999910
  O     14.39981600      4.22914145    -12.20798816
  H     16.62582684      5.16438970    -15.90775528
  H     13.66847447      8.60028459    -17.83039541
  O     17.27447316     10.06498965    -12.76035215
  H     15.82122236      7.41493469    -16.16339801
  H     13.36138532      7.77281224    -19.09852738
  O     19.42601360      8.27486100    -13.20176107
  H     16.17794554      7.98738373    -14.78587002
  H     13.70193957     10.68580653    -11.62103072
  O     16.58497061     10.28385557    -10.05361678
  H     14.33642362      5.75644745    -15.79788629
  H     13.43516035      9.76339281    -10.40948162
  O     13.51349407      7.69755572    -18.15996187
  H     14.44105751      6.34938650    -17.22881142
  H     11.39405918      9.06086933    -15.59669750
  O     13.96599625     10.51248870    -10.70901104
  H     19.37586632      7.72563413    -16.68033513
  H     10.48400294     10.31127689    -15.60862657
  O     11.38150517     10.02503758    -15.46113294
  H     18.03194706      7.77381444    -15.91639859
  H     13.15257649      8.85875946    -13.07902404
  O     13.11886526      7.93537191    -12.79556031
  H     15.86971742      9.84316906    -15.41449005
  H     12.81201495      7.93371032    -11.88056869
          69
 Ord_Energy   -248.515472    
 O   -4.71222830      -2.27045250       4.53095198    
 H   -4.09169626      -1.75965333       3.99875069    
 H   -5.30641699      -1.61843455       4.92528772    
 O   -5.71296692       1.89074206       9.37504292    
 H   -5.64292145       2.58820939       8.71060181    
 H   -4.87997770       1.89326537       9.86123657    
 O  -0.785047770     -0.847412467       7.56120110    
 H   -1.65380609     -0.530414581       7.26924086    
 H  -0.718660533      -1.76212919       7.25590515    
 O   -4.48830557       6.14031649       6.02724552    
 H   -4.42729998       7.05755997       6.27971554    
 H   -3.63024592       5.89869642       5.63430929    
 O   -3.07885265       1.90967798       10.5671329    
 H   -2.69634771       1.01841843       10.4742069    
 H   -2.85350037       2.21625400       11.4410181    
 O   -3.42122674       4.47211742       2.30855298    
 H   -3.44670081       4.83053541       1.42595780    
 H   -4.28313017       4.66765213       2.71944451    
 O   -5.69644070       4.88957977       3.72685003    
 H   -5.44055367       5.42503929       4.48790216    
 H   -5.87705851       4.00590849       4.07765150    
 O   -2.20928502       5.33956337       4.76893759    
 H   -2.48307347       5.14294672       3.86473393    
 H   -1.73580444       4.55549574       5.07636690    
 O   -2.91676235     -0.617849529       2.96810579    
 H   -3.08984780     -0.679288566       2.03100109    
 H   -2.99679041      0.320399135       3.20381236    
 O  -0.532759845      -1.51471436       4.19428205    
 H   -1.34011340      -1.22856891       3.74765706    
 H  -0.121136308     -0.719468176       4.55017233    
 O   -1.23201466       2.82058311       5.59996319    
 H  -0.529299259       2.16014051       5.61239243    
 H   -1.65408361       2.80664229       6.47240639    
 O   -2.07890368     -0.555670500       10.1163826    
 H   -2.85578561      -1.07378626       9.85571098    
 H   -1.44659674     -0.663048089       9.39651871    
 O  -0.797318339      -3.30523133       6.22884655    
 H  -0.265051395      -4.08137369       6.07701206    
 H  -0.714114606      -2.74659872       5.43513250    
 O   -3.33065891      0.138995260       7.00314188    
 H   -3.17483807       1.02078736       7.36459064    
 H   -3.64404535     -0.430227220       7.72377348    
 O   -5.90142679     -0.160376623       5.97580004    
 H   -4.96712399      -5.87087013E-02   6.21964884    
 H   -6.37299490     -0.318141133       6.80231571    
 O   -3.61895871      -3.37173915       6.84985113    
 H   -4.02415752      -3.07729125       6.02079010    
 H   -2.67782950      -3.45778513       6.66475725    
 O   -3.07581139       2.04221201       3.66729474    
 H   -3.14058805       2.80921650       3.08353925    
 H   -2.42991447       2.26294160       4.35358000    
 O   -2.67854047       2.71721458       7.92943382    
 H   -2.68703127       2.53903294       8.87799358    
 H   -3.52153420       3.14235353       7.71263456    
 O   -6.81653976     -0.471075356       8.63119984    
 H   -6.46959019      0.387825280       8.93466091    
 H   -7.65867949     -0.596866667       9.05945301    
 O   -5.59830761       2.33196115       4.88272810    
 H   -5.89892960       1.46337366       5.18239164    
 H   -4.73277378       2.19355464       4.47390127    
 O   -5.15933180       3.71347570       7.25737810    
 H   -5.00666666       4.62169266       6.96781349    
 H   -5.36919928       3.20645404       6.45936489    
 O   0.594526172      0.682486057       5.75454283    
 H    1.53368020      0.708480954       5.92196655    
 H   0.194978386      0.168071896       6.47718906    
 O   -4.26911163      -1.70239997       8.88924789    
 H   -4.10825968      -2.38910055       8.22019768    
 H   -5.20153284      -1.46102571       8.86892319    
          69
 Energy    -248.51532367966712     
  O     12.24929864     11.06127066    -13.18712688
  H     12.45842297     10.54667034    -13.97900568
  H     20.37863567      7.37730158    -14.39537329
  O     15.65135634      6.97583364    -13.35123097
  H     12.80582064     11.84777838    -13.24232169
  H     15.19074342     12.05217927    -16.43291502
  O     17.91165816      9.90409166    -10.99011693
  H     14.88430844      6.87832703    -12.77111312
  H     16.47857744     12.34514764    -15.62479606
  O     18.31844044     11.84754662    -15.48290148
  H     15.69001896      7.91495683    -13.59350743
  H     14.91758042      9.70623010    -14.62601146
  O     14.02509666      6.94541592    -15.69479046
  H     17.75849337      9.69515784    -10.06078986
  H     16.44459899      9.46141931    -14.87879395
  O     14.46849258      8.76033536     -8.69488352
  H     17.15681119     10.43924266    -11.27995701
  H     17.57618117      6.57800571    -10.42707081
  O     13.37257514      6.98784050    -11.74531464
  H     18.95419484     12.47417820    -15.81986165
  H     17.27453105      7.27758185     -9.09051078
  O     15.75191963     11.20002782    -12.03497864
  H     18.67643573     11.51611535    -14.63989261
  H     10.99737577      6.56444781    -13.92805188
  O     15.56583569      8.40108010    -17.63066593
  H     13.20981003      6.61515110    -15.28871661
  H     12.34305312      6.50994388    -13.19018154
  O     14.48181493      5.96632175     -9.38244658
  H     14.70355428      6.81279681    -15.02008581
  H     19.63837324      9.77945172    -13.61203231
  O     17.79903629      9.15135485    -16.08564849
  H     14.34733216      7.80948104     -8.80613661
  H     18.98281964     10.50618958    -12.42499113
  O     19.63572161      7.96542173    -14.28711676
  H     14.02861180      9.17138526     -9.45088972
  H     17.23220669      7.11080961    -12.53998535
  O     15.54848156     12.58622125    -15.71359882
  H     13.66176653      6.54205697    -10.93919418
  H     17.99065747      8.22874203    -11.74670257
  O     15.77191160      9.56750845    -14.19535494
  H     13.38201419      7.93925669    -11.56324210
  H     16.17880752      9.03684393     -8.47623443
  O     17.15561341      6.44707276     -9.56893596
  H     15.29066642     11.99342859    -12.33032500
  H     17.36165814      9.36908801     -7.53536822
  O     11.91199315      6.31480448    -14.03721306
  H     15.82397838     10.63326222    -12.82134315
  H     14.06646352     11.05909627    -18.55085105
  O     19.38736560     10.65348571    -13.28936369
  H     15.06043612      7.77922808    -17.09147116
  H     14.84715843      9.97921657    -17.76363115
  O     18.07865489      7.34158818    -12.12686545
  H     16.41486795      8.53263404    -17.18712598
  H     12.89425136     10.13029844    -11.77408972
  O     17.15076336      9.06926746     -8.41540342
  H     14.32471207      5.18720099     -8.85586292
  H     14.35945992     10.16243590    -11.34564607
  O     14.40704663     10.84522657    -17.68639034
  H     15.44745894      6.05485061     -9.47160197
  H     14.68614880     12.98572287    -14.24475837
  O     13.52549114      9.70596029    -11.17496128
  H     18.44866503      8.66586354    -15.56074725
  H     14.09926327     14.09632553    -13.34410265
  O     14.24683992     13.15560267    -13.39231700
  H     18.05225399     10.08409179    -16.05654088
  H     13.38874065      8.71084617    -15.54973252
  O     13.25112991      9.65744373    -15.40876376
  H     19.13286079      7.64291706    -13.51970009
  H     13.47506575     10.10767101    -16.23320289
          69
 Energy    -248.51514799390529     
  O     14.33816646      5.08074130     -9.57723258
  H     15.09093941      4.83404198    -10.13303933
  H     15.85441952      9.00582588    -12.18262188
  O     14.06938638      8.65470724    -16.16504479
  H     13.56023060      4.99758723    -10.14004422
  H     14.35811170      7.21883937    -12.64797452
  O     17.64596457      8.85731655    -14.58832074
  H     13.51434086      9.06507663    -15.49263285
  H     13.89064975      8.18224990    -11.50305808
  O     15.90765270     12.11622977    -11.90464294
  H     14.74206769      9.31381990    -16.37910592
  H     13.05340447      5.05073606    -12.32837542
  O     10.40696337      9.12817919    -13.16957867
  H     17.38288026      9.10551788    -13.69015678
  H     11.91462074      4.08082131    -11.94707100
  O     18.69126231      3.86003637    -12.68224809
  H     18.51049280      8.43211056    -14.53186959
  H     19.93567452      7.08202771    -13.38467895
  O     17.42943863      7.36149571    -10.39271431
  H     16.26132150     12.98485219    -11.73595159
  H     20.90046127      7.50145273    -14.51997349
  O     13.37294622     11.08738934    -11.05373938
  H     15.56545543     12.12036938    -12.81843455
  H     14.96355606      5.83057649    -14.02994433
  O     18.22994326      5.18678467    -15.00268870
  H     10.56969860      8.47764354    -12.46518175
  H     15.24453197      5.22684121    -12.62098758
  O     14.86086097     11.89125856    -14.37260797
  H      9.47868132      9.33930617    -13.12478451
  H     16.84692333      9.91647227    -15.77834991
  O     12.90132370      9.97758008    -13.82668139
  H     19.07706108      3.00332781    -12.84150549
  H     16.82899874     10.67572673    -17.12625380
  O     16.71364288      9.44380499    -12.06757426
  H     18.50199709      4.25339290    -13.55356050
  H     15.15352582      7.26199316    -15.70170702
  O     14.34069783      8.13736956    -12.35781101
  H     17.26435727      8.13788295    -10.94725738
  H     16.49607232      7.43097400    -14.98479428
  O     12.35839248      4.87953349    -11.67125240
  H     16.81180222      7.41971667     -9.65336962
  H     19.46587536      5.47950628    -11.96339763
  O     19.97884320      7.37193234    -14.31392603
  H     14.22449957     11.51203739    -11.21368541
  H     19.04316119      6.75620830    -11.19876038
  O     14.53905096      5.49182574    -13.23000808
  H     13.01162958     10.90160361    -11.92682524
  H     11.66299096      7.79961138    -10.57911042
  O     16.29757281     10.46607239    -16.36262334
  H     18.86093594      5.91426596    -14.93411751
  H     11.39515512      6.49219781    -11.34807555
  O     15.87339872      6.75902385    -15.29344865
  H     17.38278802      5.58513877    -15.23866946
  H     16.83130924      5.76628726    -11.06954782
  O     19.70929081      6.39948968    -11.80005132
  H     14.09470258     11.31032980    -14.26072812
  H     17.21841782      4.42323657    -11.75266047
  O     11.03116983      7.36689519    -11.16984024
  H     15.36678529     11.52621394    -15.10805228
  H     15.37824974      7.28156949     -7.52982643
  O     16.48347654      4.91177485    -11.36309400
  H     13.42870346      9.31237294    -13.35861307
  H     14.91464848      6.52943437     -8.80037795
  O     15.31404398      7.35893844     -8.47847392
  H     11.97067741      9.74037091    -13.69758481
  H     13.90263952      8.36224925     -9.30104387
  O     13.17215628      8.61217493     -9.87698209
  H     16.53870667     10.38182776    -11.92478658
  H     13.25594957      9.54965233    -10.11230907
          69
 Energy    -248.51482515775018     
  O     -3.83615619     -2.94435470     -0.52541889
  H     -3.50444032     -3.42640370      0.24175449
  H     -3.04473445    -10.13133423     -4.11558376
  O      3.32272106     -6.54344212     -2.39243948
  H     -4.62933236     -3.41523706     -0.82157271
  H      3.75206422     -5.20245172      2.15550450
  O     -0.18815309     -7.31636597      2.49569584
  H      3.27253853     -5.64827266     -2.01104073
  H      2.99544642     -6.10974112      1.15316960
  O     -5.64361420     -8.09763304     -3.05155862
  H      3.99829950     -6.52334195     -3.06425433
  H     -3.91480565     -8.47104752      1.70458461
  O      2.91747928     -7.60181525      0.22985675
  H     -0.06748642     -6.41590619      2.14928911
  H     -4.77591178     -9.75877174      1.71107314
  O     -2.31799202     -9.18702893     -0.81982561
  H      0.41167355     -7.41283286      3.23166707
  H     -2.90568311     -5.54320662     -2.53365434
  O     -2.96888065     -6.42096581     -0.96688870
  H     -5.64257611     -7.26490277     -3.54146806
  H     -2.54092006     -4.20161295     -3.21010488
  O      0.52313466     -6.87234613     -2.30081185
  H     -4.82189596     -8.55290486     -3.27082040
  H     -5.95180424     -4.73838808     -2.35201090
  O     -5.48958796     -5.46393969     -4.13193738
  H      3.17608964     -7.38110200     -0.67417695
  H     -6.01046142     -5.35702644     -0.95105907
  O     -5.61755263     -7.15290419     -0.49371357
  H      2.06604186     -8.05118081      0.15655671
  H      0.14423867     -4.62323207      0.48216161
  O     -3.03060464     -7.26000310      2.56470260
  H     -2.64263401     -9.38260617     -1.70861511
  H      1.18176852     -4.82227473      1.60465851
  O     -3.12870690     -9.41090119     -3.49653775
  H     -3.04883115     -9.29600069     -0.19717076
  H     -0.53935007     -3.73232138     -1.67545565
  O      2.99893026     -5.22971632      1.57167577
  H     -3.91865912     -6.55416215     -0.82778888
  H      0.12440738     -5.15559423     -1.71758697
  O     -4.36236574     -9.12271326      1.13389020
  H     -2.57595801     -7.30052975     -0.94143217
  H      1.98469800     -4.04619728     -1.22842352
  O     -2.88044370     -5.08586657     -3.38970746
  H      0.40576994     -7.41978478     -1.51167075
  H      3.06597132     -4.36810845     -0.18194637
  O     -5.95410792     -4.51141539     -1.41558698
  H      1.47282296     -6.82082283     -2.46685264
  H     -2.66232877     -5.31379983      0.45624918
  O      0.23211633     -4.81818035      1.42784798
  H     -4.55043655     -5.28417992     -3.95600692
  H     -1.69274819     -4.63009841      1.45491817
  O      0.13429954     -4.29475225     -1.27630961
  H     -5.69875225     -5.05007586     -4.96531234
  H     -2.61305324     -2.71745097     -1.68709937
  O      2.93776866     -4.17380519     -1.11798275
  H     -5.36052445     -7.85059253      0.11858727
  H     -1.82745176     -1.77408768     -2.63365582
  O     -2.62631235     -4.77610056      1.26385476
  H     -5.73212408     -7.56616923     -1.36573220
  H     -0.61702422     -8.87622033     -0.31353740
  O     -1.90527172     -2.68297757     -2.35891692
  H     -3.10088004     -6.35047757      2.24681777
  H      0.04754395     -8.12425381      0.86028335
  O      0.21240634     -8.46695705     -0.02796916
  H     -2.08225062     -7.41227458      2.65488161
  H     -0.71615375     -7.27524126     -3.59816534
  O     -1.48747649     -7.37990071     -4.17173381
  H     -2.52748318     -8.70648516     -3.80022459
  H     -1.96724625     -6.54443213     -4.09831612
          69
 Energy    -248.51433200416056     
  O     -4.24271836     -0.45754667      2.64598235
  H     -4.24679497      0.02611299      1.80519041
  H     -1.26753768      1.61998910      0.13216972
  O      0.36599518      2.76835621      3.95126732
  H     -4.01483570      0.19878352      3.31732329
  H     -6.28294147      2.80371373      1.71810342
  O     -1.92344923     -1.77820095      1.92720277
  H      0.83682830      3.51344228      4.31606792
  H     -7.02622823      1.95409067      0.61709021
  O     -3.38237052      0.78631633     -3.02944215
  H     -0.42853891      3.12476158      3.51954333
  H      1.04121841      1.36992164      2.83850430
  O     -1.32164711     -0.96477351     -2.13319777
  H     -2.74329035     -1.38305811      2.25403088
  H      0.97849747     -0.16542746      2.88351919
  O     -4.21924751      1.04259098      0.35784612
  H     -2.14657221     -2.32053170      1.15633184
  H     -5.11823508      4.01616730      3.10384887
  O     -7.74045534      0.29892263     -0.02094166
  H     -2.67840548      0.17112903     -2.78671765
  H     -4.99030969      2.63774967      3.78109369
  O     -3.39547906      1.65995041      4.22170129
  H     -4.20616692      0.37618714     -2.73828008
  H     -2.56929059      4.27911051      2.61698397
  O     -2.89155275      3.32121826     -2.19751728
  H     -0.93704286     -0.60353146     -1.31687057
  H     -1.85019964      3.18109613      1.78961414
  O     -5.53206613     -0.37341730     -1.59499233
  H     -0.58984494     -1.27212095     -2.66399354
  H     -4.17919822      6.31290529      2.37501183
  O     -5.42360454     -3.02702900     -0.66741670
  H     -4.92992446      1.67991661      0.51898149
  H     -4.20181594      5.16531196      1.33791480
  O     -1.79655390      2.42672739      0.20412001
  H     -3.39181447      1.53450361      0.31045607
  H     -6.97163351     -1.07333023      1.19971617
  O     -6.40602099      2.67648903      0.76305956
  H     -8.58866651      0.19703493     -0.44646827
  H     -5.73661315     -1.39792666      2.07521081
  O      1.24298100      0.57786266      2.32532556
  H     -7.06632196      0.08906915     -0.68837508
  H     -0.72015807     -0.12972687      4.91860776
  O     -5.61087793      3.21384853      3.31728140
  H     -2.93858991      2.29559951      3.65456315
  H     -0.50548973      1.38804678      4.99072683
  O     -1.93724122      3.55275368      2.68084295
  H     -2.69793825      1.26046688      4.76123510
  H     -0.67048285     -1.70107088      3.17203797
  O     -3.99945108      5.38311059      2.26572354
  H     -2.60160155      3.83822322     -2.94460168
  H      0.31674330     -2.37922105      4.14788242
  O     -6.42746750     -1.79783871      1.52829596
  H     -3.11223647      2.43691099     -2.54000870
  H     -2.26912668     -2.36034406     -1.13511502
  O     -1.06622035      0.67536545      5.32223251
  H     -4.98201515      0.07175420     -0.92814937
  H     -3.55442641     -3.01593951     -0.56823201
  O      0.02167343     -1.52864831      3.83309934
  H     -5.47287693     -1.32143137     -1.41909224
  H      0.24975872      0.25564609      0.87814058
  O     -2.60007398     -2.94278484     -0.44202711
  H     -5.78167608     -2.67473332      0.16768488
  H     -1.04458950     -0.57943341      0.83658742
  O     -0.48699803      0.00324102      0.30181525
  H     -5.89733889     -3.83353025     -0.85233877
  H     -4.12501918      4.18397003     -0.94135764
  O     -4.65553155      4.59698731     -0.25199285
  H     -1.99754910      2.76694876     -0.67678945
  H     -5.37565541      3.98360852     -0.04550712
          69
 Energy    -248.51430186161440     
  O     15.69645449      9.29436594    -15.27354569
  H     14.83342731      8.86767165    -15.32175633
  H     16.71356028      2.70553260    -16.33541473
  O     13.64127074      3.16923946    -15.79208807
  H     16.22727230      8.92582168    -15.98948215
  H     21.26867919      4.02283522    -15.90855320
  O     18.26668780      5.95643908    -11.86160418
  H     14.47346652      2.92536690    -16.24002543
  H     20.03588856      4.77064692    -16.47267923
  O     19.19509037      5.47962684    -17.81743177
  H     12.99917142      2.50184159    -16.01755630
  H     18.29887647      8.22022358    -16.52751535
  O     17.02323533      4.19413356    -19.15950120
  H     17.90926952      5.09398256    -12.11619046
  H     17.30327452      7.02937152    -16.42550490
  O     14.13195554      6.14883818     -9.83021422
  H     17.70684242      6.62440534    -12.28656130
  H     15.78397005      5.62599892    -15.81759598
  O     14.40830455      3.90765605    -13.17221986
  H     18.53262425      4.96865135    -18.29905538
  H     17.06873706      4.85512180    -15.35593273
  O     16.54539371      7.51616675    -13.33248381
  H     18.80632770      6.34946443    -17.67594869
  H     13.37580164      7.41483365    -14.03938657
  O     17.92669683      3.22419726    -15.08527754
  H     16.52974099      5.03190833    -19.10051731
  H     12.35389411      8.29043680    -14.80098921
  O     13.96853348      3.34262724    -10.44633664
  H     17.04974717      3.95584037    -20.08269271
  H     16.62104542      1.92765960     -9.24722511
  O     19.59491299      8.75121402    -15.47960246
  H     13.81344836      6.62837081     -9.07025146
  H     15.58546965      2.82117184     -9.97422200
  O     15.99390235      2.67122408    -16.98176236
  H     15.08453016      5.99870152     -9.68747278
  H     13.77256374      4.93003934    -16.37425818
  O     20.40631402      4.35449864    -15.67285665
  H     14.23971807      4.85503049    -13.07643827
  H     13.67207654      6.46433003    -16.06705638
  O     17.57176234      7.77241671    -16.98892412
  H     14.10203152      3.63359597    -14.04425282
  H     19.64088924      6.34404623    -13.12802158
  O     16.64078493      5.71825003    -15.38122015
  H     16.37449122      8.32454003    -13.83271002
  H     20.28940421      5.79547042    -14.42358076
  O     13.15732963      7.78741381    -14.91000369
  H     16.64748966      6.82128903    -14.00365628
  H     17.03084861      3.07750154    -11.59261962
  O     16.53752149      2.68740374     -9.81652782
  H     17.75429842      3.18768258    -14.13410761
  H     16.15803139      3.62002013    -12.75028414
  O     14.11503748      5.80068760    -16.61205338
  H     18.84102449      3.50511844    -15.21852566
  H     17.37408900      5.79997416    -10.19955464
  O     20.16709010      6.59397481    -13.89693508
  H     13.86490930      4.25396226    -10.14535417
  H     16.79834276      4.57415570     -9.46710751
  O     17.07386100      3.46177255    -12.47629899
  H     13.98829192      3.39331741    -11.41199389
  H     16.35671406      7.13953802    -18.31784658
  O     16.75292073      5.53726823     -9.50774719
  H     19.96876994      9.53961034    -15.09616998
  H     15.05699278      6.33102231    -18.11587905
  O     15.73899007      6.54785326    -18.76719271
  H     19.83015346      8.02137131    -14.88158007
  H     14.96151021      6.97881962    -12.75723622
  O     14.06964331      6.63686077    -12.58504109
  H     16.31799006      3.12785764    -17.76730447
  H     13.98489487      6.54000647    -11.62850513
          69
 Energy    -248.51422401456699     
  O     12.42630618     12.50026359    -12.92930715
  H     13.21953251     12.40873638    -13.48540311
  H     16.61053187      5.70773925    -13.35399453
  O     19.19206554      9.55558600    -12.34680566
  H     12.28152389     13.43496353    -12.80733605
  H     18.73640378     12.12708968    -17.33236116
  O     15.81136551     10.32755499    -11.40489237
  H     19.05171508      9.51785002    -13.30416344
  H     17.36510363     11.44896088    -17.10462417
  O     11.23359202     10.70857648    -14.87738809
  H     18.86332308     10.41696881    -12.06809759
  H     13.44341473     10.17592901    -17.07310000
  O     14.19164550      7.63057399    -14.83739296
  H     15.84445362     10.04414873    -12.33387551
  H     12.38755608     10.95409461    -16.25628095
  O     14.87039518      6.02204631    -12.67806976
  H     16.50399786     10.99091552    -11.31503474
  H     16.76995926      9.59319872    -14.37775887
  O     18.63833035      7.12137003    -11.31805728
  H     11.35927085      9.86728861    -14.41929622
  H     15.34796713      8.93592815    -14.34498544
  O     14.54851295     12.03183962    -14.61162547
  H     11.43292377     11.38429202    -14.21876648
  H     13.04442398      8.68820498    -10.24206850
  O     18.11872393      6.97075620    -16.04097926
  H     14.52808786      6.96970287    -14.21829187
  H     14.17961363      7.67820677     -9.97875955
  O     15.96199984      7.65621299    -10.66693644
  H     13.39279837      7.98975432    -14.42406148
  H     18.48521227     10.19112339    -15.65720050
  O     15.87511759     10.88788367    -17.80252536
  H     13.95745922      5.85261874    -12.41770593
  H     18.40154297      8.62526249    -15.48376175
  O     17.52704104      5.83285756    -13.62896928
  H     15.23939033      6.60090194    -11.99410965
  H     16.25243974     12.80815921    -14.37991421
  O     18.18972643     11.72218328    -16.66431740
  H     19.39763713      6.80871672    -10.83378272
  H     17.62063337     12.58951336    -15.04287021
  O     13.16525850     11.06627214    -16.82452126
  H     18.86750950      8.00485797    -11.65985680
  H     18.36946205     12.83361364    -11.29409750
  O     15.87220923      9.68244654    -14.03256824
  H     15.03116900     11.22415507    -14.37886967
  H     17.72670575     12.41687383    -12.63573840
  O     13.22102699      7.79164977     -9.92791068
  H     14.07021918     11.81660924    -15.42394806
  H     14.01038631     10.34682375    -11.30465989
  O     18.45483058      9.47213800    -15.01539202
  H     18.49893901      6.30833878    -16.61133387
  H     12.72233112     11.07311795    -11.75118759
  O     17.20205039     12.91529625    -14.23731627
  H     17.90588543      6.51566708    -15.20736287
  H     12.41340799      9.09342707    -12.63665712
  O     17.96882295     12.09734542    -11.74836677
  H     16.88643169      7.39014291    -10.74906723
  H     11.91982700      7.64512250    -12.86250353
  O     13.04744115     10.25469262    -11.35622606
  H     15.94689864      8.60809227    -10.84270665
  H     12.48108721      6.65508028    -11.02361370
  O     12.05807975      8.49058650    -13.30637071
  H     15.63368840      9.95438427    -17.74568635
  H     11.53838630      5.48546058    -11.40059285
  O     12.16669072      6.10334026    -11.76374571
  H     15.04341946     11.34466073    -17.63647930
  H     14.35288434      8.10284800    -16.54522189
  O     14.37855734      8.49990147    -17.43081783
  H     17.97871887      6.21725195    -12.86759060
  H     14.13361853      7.81044621    -18.04286454
          69
 Energy    -248.51391490859743     
  O      1.47848367     -1.24353720      5.12319570
  H      1.04859758     -0.37758458      5.09378599
  H     -4.54696506     -0.64227584      3.42733540
  O      1.62129102     -0.39060741     -2.66715999
  H      0.80092819     -1.85476040      5.43549665
  H     -2.61237865     -0.01377435      6.40323139
  O     -0.74964950     -2.84185192      6.09475276
  H      0.75879390     -0.21726094     -2.26657572
  H     -3.35288663     -1.12329714      5.63641971
  O     -0.59000808     -0.17387139     -0.91113287
  H      1.76837775     -1.33854007     -2.55538047
  H      0.18167469      1.94299218      1.84954328
  O      2.02381649     -3.09902643     -1.79905991
  H     -1.43656419     -2.16635184      6.22879254
  H     -0.05812609      3.44348872      2.11002952
  O      3.52060519     -1.85739920      0.10127931
  H     -0.60766851     -3.25326988      6.94459720
  H     -1.00648411     -0.20294750      3.63957608
  O     -3.02038536      2.47997479      3.58273437
  H      0.02023114      0.13291053     -0.22586721
  H     -2.35368403     -0.96362105      3.48715476
  O     -4.01866725     -3.76095085      2.67483892
  H     -0.61183755     -1.14175925     -0.85277797
  H      0.28095708     -3.13206145     -1.08985430
  O     -0.06339979      1.05142444      4.70891532
  H      2.50770603     -3.82513176     -2.18343566
  H     -0.38688728     -3.04490441      0.31185059
  O      3.25418351      0.85144544     -0.88380348
  H      2.58649068     -2.72929735     -1.09487982
  H      1.35569957     -2.15005044      2.25967265
  O     -4.90080872      0.79010486      2.21408727
  H      3.14593396     -1.80968896      0.99205182
  H      2.03961807     -1.40505877      3.41625335
  O     -4.12055977     -1.30679577      3.98147066
  H      3.61944126     -0.94383266     -0.19019093
  H     -2.55907526      2.56266004      6.73562076
  O     -2.71626806     -0.97056438      6.34875944
  H     -3.69730677      1.98086804      3.11128391
  H     -2.67020546      2.11370507      5.25776278
  O     -0.36252579      2.57182190      2.35259812
  H     -2.23036494      2.47810660      3.02930891
  H      1.49475592     -0.00986808      1.59960654
  O     -1.52750279     -0.74461265      3.03611158
  H     -4.64933971     -4.46447646      2.54337016
  H      1.95746064      0.91299927      0.44043554
  O     -0.55236074     -2.94846217     -0.64026962
  H     -3.73047058     -3.47643986      1.78925531
  H     -1.29338327     -3.99021962      4.67821799
  O      2.05746509     -1.51215165      2.45498790
  H     -0.74745470      1.34408951      5.32483740
  H     -2.37898400     -4.31125479      3.61360563
  O     -2.34441117      1.85190016      6.13772204
  H     -0.05078777      1.68823571      3.98342991
  H     -0.66239989     -2.19089880      2.37496720
  O      1.22945321      0.74429367      1.05296524
  H      3.90014638      1.42368262     -1.28815962
  H     -0.52374078     -3.70019481      2.64021120
  O     -1.48916840     -4.53973907      3.90727873
  H      2.72449909      0.46714733     -1.60568215
  H     -2.40977725     -3.00701346     -0.17640632
  O     -0.21154070     -2.98985239      2.06381254
  H     -5.68990014      1.03822678      1.73967281
  H     -3.23594157     -1.82189730      0.33516268
  O     -3.24229326     -2.78382036      0.25900826
  H     -4.23087118      0.55469407      1.54723213
  H     -2.15819168      0.10401719     -0.00320112
  O     -2.80655316      0.01243886      0.70610381
  H     -4.20545106     -2.16726029      3.54743610
  H     -2.29925949     -0.20352801      1.50470993
          69
 Energy    -248.51367675666279     
  O     -4.48586772      0.66683503      1.90608197
  H     -5.12858308      1.36688978      1.98680954
  H     -0.20512987     -3.55480575     -1.16097123
  O     -3.65612073     -2.15541741      6.55690884
  H     -4.39286041      0.28711811      2.79433934
  H     -0.63286939     -4.98497425      0.50338635
  O     -1.17410468     -0.28228032      3.99360101
  H     -3.93670621     -3.04148234      6.30068058
  H      0.89464328     -5.07207496      0.38075150
  O     -3.90694409     -0.57117074      4.29854806
  H     -2.68923357     -2.17892076      6.54794063
  H      1.91475415      0.01291041      3.59908205
  O      1.88506531     -2.71076398      5.61706593
  H     -0.56365001      0.43953892      3.80832249
  H      2.32777952     -1.26553577      2.85942051
  O     -4.14843900     -4.73538437      5.31771108
  H     -1.03731525     -0.93609974      3.28951115
  H     -1.22403010     -2.86463866      1.80661587
  O     -0.88779494     -2.24618371      5.90936300
  H     -3.97156951     -1.01081624      5.15797862
  H     -1.36206356     -1.39069404      1.30169148
  O      1.10682298     -5.06508926      4.15629408
  H     -2.96718589     -0.37090711      4.17647276
  H     -2.83391896     -4.43402255      1.45409540
  O     -4.81528207     -3.00687670      3.16419833
  H      2.07493088     -2.01495064      4.96276153
  H     -1.90857344     -4.61216209      2.70845487
  O     -2.38364617     -0.21244961      0.35916245
  H      2.59043774     -2.68195403      6.25825038
  H      1.90463306     -1.66174789      0.43103036
  O      2.36229554     -4.76258220      1.60491324
  H     -3.21318412     -4.81040644      5.06028279
  H      0.89536074     -2.06952292      1.52329261
  O     -0.41833522     -2.72144785     -1.60854848
  H     -4.38810405     -5.56375791      5.72454861
  H     -5.15303866     -4.58147635      0.54321431
  O      0.08729686     -5.01345625     -0.14195777
  H     -0.96898639     -1.48521375      5.31559106
  H     -4.67731926     -3.51060443      1.55487112
  O      2.36815399     -0.82893320      3.72137976
  H      0.05713873     -2.43211426      5.96930288
  H      0.77463610     -1.50311806     -1.38082864
  O     -0.85470907     -1.97649782      1.88101844
  H      1.53840817     -5.04891390      3.29382883
  H      1.94971006     -0.70459032     -1.99411299
  O     -1.92197195     -4.54554601      1.74371593
  H      1.45802167     -4.31233093      4.64900654
  H      0.58615970      1.35915801      2.13420555
  O      1.83727118     -2.09413380      1.29038986
  H     -4.70367146     -3.62483837      3.89671620
  H      0.98463796      2.41615820      3.18925165
  O     -4.49504920     -3.90492187      0.68112052
  H     -4.51926984     -2.14749759      3.48837832
  H     -0.79506175      0.74811219      0.38426307
  O      1.47003812     -0.84774200     -1.18334270
  H     -2.73896832     -0.83019869     -0.29052344
  H      0.63725219      0.49670107     -0.11486627
  O      0.79723304      1.48837025      3.07666791
  H     -3.12960548      0.13371057      0.87081441
  H     -3.85795255     -2.31307546     -2.03326548
  O      0.11890290      1.04813828      0.48300878
  H      3.27096334     -4.96562200      1.39705143
  H     -3.71901499     -2.88128160     -0.60487666
  O     -3.28473366     -2.32420456     -1.26994325
  H      2.25376619     -3.80395754      1.48156951
  H     -1.41445600     -3.73796217      4.96187183
  O     -1.54517231     -4.58329666      4.50990217
  H     -1.37378974     -2.62470539     -1.55934232
  H     -0.65289598     -4.93767000      4.37615308
          69
 Energy    -248.51357332580324     
  O     11.06766060     10.33530086    -11.57427047
  H     11.93335981     10.58208391    -11.93861556
  H     17.46198385      7.84316942    -16.06203748
  O     13.52551120      6.91538965    -15.15368080
  H     10.66238919     11.14237793    -11.26581740
  H     16.22115376     11.20100120    -14.25347053
  O     17.46410948      9.58955341    -10.64530327
  H     13.91926313      6.78788361    -16.02566617
  H     15.91415362     12.69445838    -14.40849344
  O     12.63834549      9.52506548    -15.01885965
  H     13.14207175      7.80495514    -15.13950203
  H     14.90913545      7.40547383    -14.12837177
  O     15.79311036      5.15521078     -9.74305601
  H     17.49662510     10.37896002    -10.11088934
  H     16.28642533      6.91096787    -13.61811539
  O     12.83298085      5.48045219    -12.88974569
  H     16.52433496      9.39662652    -10.80328548
  H     11.81006116      7.39541121    -10.21603568
  O     14.92760740      8.81468690    -11.27174805
  H     11.72990346      9.28690015    -14.77841793
  H     11.00707051      8.64315030    -10.67371706
  O     14.79923580      9.70592594    -16.87108177
  H     13.00406484      9.97809795    -14.24845737
  H     20.47366930      6.36018853    -12.64012953
  O     15.43720951      4.30126739    -12.46693630
  H     16.55716580      5.74074604     -9.88906117
  H     19.36513070      7.43043626    -12.79190074
  O     16.84831481      9.62729444    -15.06114538
  H     16.01989550      4.58488606     -9.01323480
  H      9.32602463      5.73490011    -12.33552215
  O     14.91022648      6.91048785    -17.59149051
  H     11.87684754      5.57374152    -12.79231899
  H     10.32696215      6.72466741    -11.69204969
  O     17.35615688      6.95262421    -16.40918208
  H     13.05405874      5.91627367    -13.72538109
  H     18.32627849      9.39606705    -13.82788184
  O     15.77006424     11.94670422    -13.83208482
  H     15.23087773      8.39523329    -12.09461445
  H     18.40483750      9.36652002    -12.28332663
  O     15.66617777      7.65019550    -13.57939560
  H     14.39390418      8.14658578    -10.82428540
  H     16.75203499      4.94762871    -13.49456374
  O     10.91704621      7.72724869    -10.38316275
  H     14.77846816      8.83337322    -17.28253631
  H     18.14530544      5.68087562    -13.47406881
  O     19.53656961      6.50476373    -12.54021133
  H     13.98945807      9.76705991    -16.34649146
  H     17.80482568      7.74318173    -10.23997894
  O     10.13305658      6.21547015    -12.49992868
  H     14.52311200      4.54559482    -12.65694314
  H     18.51883715      6.58208192    -10.94889415
  O     18.85649981      9.07920788    -13.08815205
  H     15.57042186      4.49109880    -11.53038821
  H     13.29601259      6.24260422    -11.28200676
  O     17.35999037      5.50359668    -14.00655593
  H     16.44717893      8.95440851    -14.48749498
  H     14.22495213      6.10092029    -10.05029060
  O     17.90506697      6.78417846    -10.23207085
  H     16.21844633      9.75550237    -15.78838231
  H     14.27142603     11.31779844    -13.02473820
  O     13.50059138      6.62470886    -10.41495042
  H     15.81637977      6.85756051    -17.23863798
  H     14.01527068     10.10466207    -12.09915785
  O     13.57088891     10.77131383    -12.64364068
  H     14.90809535      6.44061056    -18.42071354
  H     10.17711087      7.86699347    -13.54105396
  O     10.27264968      8.77016850    -13.86503670
  H     17.41148776      6.35671085    -15.64768200
  H     10.39092570      9.31745942    -13.07824716
          69
 Energy    -248.51343727021856     
  O     21.51577909      7.96109909    -12.89155110
  H     21.06324158      8.29750681    -12.09556859
  H     20.08978468      4.45695677    -14.01617680
  O     15.69408971      7.63201753     -9.14970723
  H     22.42140469      8.25423802    -12.83570414
  H     15.97463043     10.18338499    -14.08425625
  O     12.96116320      9.90200680    -11.83710079
  H     14.89122273      8.14744713     -8.99588411
  H     15.65503384      9.64316612    -12.68605664
  O     17.77207316     10.64829370    -14.68568973
  H     15.45005194      6.94762477     -9.79142889
  H     18.38892081      7.63359964    -13.36360563
  O     11.77108997      7.56760368    -12.97074881
  H     12.41967706      9.21237709    -12.24209848
  H     17.23626664      6.60873715    -13.41178709
  O     18.79010717      5.58985119    -10.75716646
  H     13.66612582     10.08297148    -12.47025670
  H     14.98937201      6.64197878    -14.24628703
  O     14.72221817      5.93783222    -11.14491431
  H     18.03352053     11.24035642    -15.38714513
  H     14.70079331      8.09052815    -13.74543992
  O     20.88933792      5.16729264    -12.58326087
  H     18.37274383      9.88591980    -14.73153820
  H     17.49552569      7.61154008     -8.81098450
  O     16.65005371      3.91974186    -11.42173008
  H     12.65334425      7.34663587    -13.31582698
  H     18.70178423      7.61528713     -7.85131780
  O     17.02404237      3.14959641    -13.95996457
  H     11.14835090      7.38405171    -13.66921030
  H     19.16943058      5.48677125    -15.79456871
  O     19.42671428      8.43606656    -14.66938268
  H     18.77749879      6.15741068     -9.97881334
  H     19.03406382      6.07442360    -17.22269894
  O     19.57293942      4.18630999    -14.79056637
  H     18.46423725      6.13676399    -11.48948094
  H     13.21315657      9.44137828    -10.15031515
  O     15.25370499      9.83161985    -13.55118284
  H     14.69435750      6.37682363    -12.00365524
  H     12.84604082      9.70410393     -8.67344536
  O     17.75673987      7.15586761    -12.81199356
  H     13.82215670      5.98830634    -10.79028248
  H     19.68621006      9.73998198    -11.12939257
  O     14.38364394      7.17646503    -13.71645815
  H     21.19439340      6.07478774    -12.69677662
  H     19.59848144      8.56850362    -10.11626120
  O     18.46498527      7.58343874     -8.77561553
  H     20.27295472      5.19292570    -11.83935806
  H     18.40090961     11.05917679    -12.81738738
  O     18.83535622      6.24844369    -16.30702192
  H     17.43413280      4.36309470    -11.07122580
  H     17.82850005     10.46297420    -11.53518202
  O     13.28577394      9.08268776     -9.24812975
  H     15.91252245      4.52600754    -11.27206953
  H     17.13686627      5.94443571    -15.47896211
  O     20.15320524      8.95787717    -10.79837368
  H     16.89097826      3.35763363    -13.01671449
  H     16.55108062      4.79433485    -14.61634374
  O     18.57819689     10.97397951    -11.87521608
  H     16.70608389      2.26117845    -14.09306919
  H     12.42851976      7.41111665     -9.83072278
  O     16.42521661      5.72055623    -14.86699357
  H     20.23828222      8.29232711    -14.16286479
  H     11.87463400      6.89049541    -11.17001849
  O     12.18708757      6.60409884    -10.30170471
  H     19.31785869      7.70723986    -15.29565295
  H     16.23339661      8.74081586    -10.50228966
  O     16.58645644      9.13765917    -11.30422071
  H     18.80301698      3.70805710    -14.46337645
  H     17.02606149      8.42621351    -11.79610017
          69
 Ord_Energy   -248.513260    
 O    5.24810553      -1.88878500       6.53467369    
 H    4.61675072      -2.53157401       6.89252758    
 H    6.01671600      -1.84145629       7.11831045    
 O    1.91184354      -2.50367618       2.24026084    
 H    1.71124053      -3.18086553       2.91076875    
 H    1.35175061      -2.68325663       1.49010062    
 O    1.72281265       2.02661228       10.7310638    
 H    2.33756948       2.59329772       10.2359600    
 H    1.33809364       2.58151412       11.4037619    
 O    1.39053762      -4.20143318       4.29787445    
 H    2.08118343      -4.77637625       4.64893150    
 H    1.17517781      -3.58638167       5.01151705    
 O    5.91580057       2.26922488       5.19091654    
 H    6.42525148       1.92790520       5.94707060    
 H    6.48432446       2.88330197       4.73327398    
 O    3.29872179      -3.58583498       7.46774340    
 H    3.36903262      -4.39143372       6.94097710    
 H    2.54293251      -3.08948612       7.11620617    
 O    7.21949720       1.23405194       7.35252285    
 H    7.46633434      0.315498829       7.49656105    
 H    6.73005819       1.47703981       8.15113449    
 O    4.77394724      -2.34235477       2.43052816    
 H    4.88712358      -1.51486325       2.91626096    
 H    3.82852530      -2.41496754       2.25104642    
 O    3.75576949      0.242493466       7.75885868    
 H    3.03451085      -7.34190419E-02   8.32034588    
 H    4.19117975     -0.513697028       7.35527897    
 O    5.52130508       1.38272262       9.56559944    
 H    5.74265003      0.642542779       10.1394329    
 H    4.87594748       1.02232754       8.93554020    
 O    2.11813092     -0.485954732       4.19245577    
 H    1.96890402      -1.06539452       3.43514228    
 H    3.06826043     -0.305977374       4.22411442    
 O    3.58442450       3.43856907       9.28798676    
 H    3.48051047       3.37272573       8.33000374    
 H    4.36634970       2.91426992       9.50576496    
 O    1.70835972     -0.414826661       9.51457691    
 H    1.69608510      0.414452940       10.0181561    
 H   0.943588555     -0.395539433       8.92654228    
 O    5.48869753      -3.99370432       4.52314997    
 H    5.28771544      -3.52626944       3.69789124    
 H    5.61301804      -3.30243278       5.18062115    
 O    3.39494300       2.66604304       6.53650665    
 H    3.45448589       1.78479397       6.94152260    
 H    4.18520689       2.73803782       5.99081230    
 O    3.66604447      -2.34413409       9.98301506    
 H    3.54768968      -2.92090893       9.21833134    
 H    2.91702151      -1.73172450       9.96889305    
 O    4.87109375     -0.199464053       4.32024908    
 H    5.06675768     -0.776637077       5.07104111    
 H    5.23788261      0.668423593       4.52756643    
 O    6.03577900      -1.24812400       10.6471663    
 H    6.21496201      -1.45398962       11.5606804    
 H    5.17504597      -1.65423548       10.4338875    
 O    7.40612888      -1.55198336       8.25250530    
 H    8.19039726      -2.08077955       8.37928867    
 H    6.98950863      -1.45132911       9.12394810    
 O    3.56571746      -5.60349464       5.51925421    
 H    4.28727531      -5.09792614       5.10159779    
 H    3.80824399      -6.52392960       5.47217751    
 O    1.27942252      -2.15900612       6.25482655    
 H    1.63075280      -1.57599962       5.56539869    
 H   0.628997624      -1.63740408       6.73820543    
 O  -0.288972348     -0.218036532       7.55189800    
 H   -1.22109437      -2.83368602E-02   7.60951471    
 H   0.100784250      0.456847131       6.96562672    
 O   0.919908404       1.47220969       5.81756687    
 H    1.65147913       2.06407666       6.03117323    
 H    1.26059115      0.875094652       5.13700008    
          69
 Energy    -248.51315895943452     
  O      0.66243894      4.26823979      0.81987445
  H      1.20814144      4.14768746      0.02539351
  H      2.94068478      5.97481419      1.84797088
  O      5.42801794      5.90984663     -0.14357088
  H      0.77333786      5.18036418      1.11320411
  H      4.47659963      3.70807489     -4.11255153
  O      0.96195536      4.82530476     -4.43295978
  H      4.85765036      5.71701060      0.62239478
  H      5.27471148      3.06915863     -2.94126542
  O      0.88922133      7.13917178     -1.13253237
  H      6.13919868      6.45898373      0.17556041
  H      1.81627402     -2.26252535      1.08705245
  O      1.33757548      2.21950354     -3.71443114
  H      0.30845040      5.08020453     -3.77357390
  H      1.79072667     -1.09276116      0.07820613
  O      2.36029598     -0.11657316     -1.31406164
  H      1.03224001      3.86104188     -4.35481593
  H     -1.85130072      5.60751396     -2.59358278
  O      3.59237427      0.51389504     -3.76964432
  H      0.24649326      6.53696692     -1.52424172
  H     -1.19202984      4.51443681     -1.73889259
  O     -1.29925820     -1.02448515     -0.30027549
  H      1.74837030      6.92347907     -1.52343445
  H      3.62130367      6.04142218     -2.92728054
  O      2.48365188      2.80577662      2.32730464
  H      2.08323193      1.62777477     -3.86781873
  H      4.15740664      6.18840624     -1.45471298
  O     -0.18377469      0.96122914     -1.83707189
  H      0.68726109      1.72493729     -3.19519015
  H      5.29351474      2.75189933     -0.73423314
  O      0.44411096      0.79103691      2.34438755
  H      1.50165451      0.30692196     -1.46383183
  H      5.81789682      4.19358461     -0.87054862
  O      3.72306100      5.41117474      1.89742852
  H      2.85342497     -0.03195624     -2.13997452
  H      2.65132479      5.22595250     -4.63253538
  O      4.83899064      2.87871769     -3.78623071
  H      4.11094060      1.34063993     -3.77471656
  H      3.82097718      5.78209580     -5.47972645
  O      1.33193193     -1.47767334      0.84317924
  H      3.94206160     -0.03313606     -4.46750126
  H      1.92341314      3.31304502     -2.22589285
  O     -1.00166325      5.27234076     -2.31213759
  H     -1.69928994     -0.38780440      0.30660472
  H      2.60793717      4.59860016     -1.66512318
  O      3.36942070      6.22266868     -2.01248332
  H     -0.50022351     -1.34041786      0.13939460
  H      3.38228681      1.13075587     -0.35065643
  O      5.86654752      3.31716238     -1.26926014
  H      1.76776483      3.28975368      1.88729324
  H      3.26458091      2.65098511     -0.49668038
  O      3.61526768      5.36915596     -4.64525127
  H      3.02242000      2.42633844      1.61685383
  H      1.15161674      7.09824488      0.57333635
  O      2.18217035      3.76768583     -1.41649353
  H     -0.55901363      1.74041964     -1.40736088
  H      0.90544911      7.60469599      2.01716585
  O      3.73930273      1.95905298     -0.00950816
  H     -0.63944186      0.19464803     -1.46210163
  H     -1.83172203      2.49770434      0.08565605
  O      1.30429862      6.89945817      1.51545407
  H      1.17162414      1.40896074      2.48069078
  H     -0.70822375      3.54616938      0.04532771
  O     -1.39416422      3.12767911     -0.50071609
  H      0.82025364      0.00693940      1.92599259
  H     -2.68730228      1.12926693      2.13440389
  O     -2.07354345      1.16156735      1.40539695
  H      3.42009092      4.54753803      2.19984240
  H     -1.18028755      1.08549981      1.78947930
          69
 Energy    -248.51313416091634     
  O     14.70324192      9.70317014    -10.47804974
  H     14.48861825     10.20244328    -11.27994086
  H     17.65087542      4.26631786    -12.35015706
  O     12.87023493     10.55131788    -16.27156427
  H     13.90397390      9.25000343    -10.18483259
  H     11.80373279      8.16482833     -9.23970924
  O     16.95074974     10.73771543    -13.87866044
  H     12.82752809      9.83765188    -15.62188132
  H     12.25667733      7.67069233    -10.62977230
  O     13.39283648      5.20647758    -13.13883709
  H     12.94425316     11.37011634    -15.76558846
  H     14.46427994     12.84439295    -15.13898043
  O     17.25079955      7.39621705     -8.16640067
  H     17.60685772     10.66424619    -13.17601717
  H     13.30608624     13.77498210    -14.70165952
  O     16.01568129     12.50723527    -15.85986309
  H     16.07736329     10.73608138    -13.46429940
  H     13.80750118      8.00837330    -14.41410174
  O     15.81978858      7.50828599    -11.86791825
  H     13.93635394      4.97011121    -12.37145830
  H     12.52301959      8.17313134    -13.56561219
  O     14.27638865     10.80854228    -12.94189628
  H     14.00114031      5.58604023    -13.78477080
  H     15.03503623     10.43409562    -18.64312634
  O     18.55347341      7.60257381    -12.29069896
  H     17.65279178      7.27068508     -7.31025299
  H     14.32186855     10.47258055    -17.27052615
  O     18.80471616     10.37538742    -11.77914589
  H     17.76164950      6.85421079     -8.79456434
  H     12.25325929      6.34064377    -12.55832808
  O     17.73627801      5.33664337    -13.73987293
  H     15.85512635     11.90481011    -16.59758489
  H     10.77855553      6.79944914    -12.47031425
  O     17.57879510      3.78785643    -11.50433379
  H     16.50413248     11.99362133    -15.20151333
  H     14.00556007      6.93429221     -8.92746449
  O     12.57535166      8.02227441     -9.78385863
  H     15.46071357      8.22815316    -11.33781987
  H     15.47884347      6.76712640     -8.45028289
  O     13.58845133     12.86499879    -14.71099017
  H     15.56471156      6.66715787    -11.46528627
  H     14.94100915      5.23989529    -10.07213276
  O     13.09517667      8.62405647    -14.19658528
  H     13.98632756     11.59457203    -13.42096233
  H     15.90641487      4.44897536    -11.03676874
  O     15.19311033     10.48860674    -17.70467504
  H     13.87185283     10.04714512    -13.38226765
  H     18.35429425      5.13923880    -10.38712369
  O     11.67054574      7.06340554    -12.25827131
  H     18.82922224      8.52239064    -12.22125933
  H     18.78228959      6.56578714    -10.76112188
  O     14.66748617      6.28686263     -8.66203423
  H     17.59780758      7.60322066    -12.11831689
  H     15.48775506      7.10910729    -13.57215120
  O     15.07593256      4.93683059    -10.98232715
  H     19.54379181     10.93491712    -11.55677933
  H     15.76038501      7.45427041    -15.07254291
  O     18.63761837      5.97831593    -10.00647005
  H     18.30474931     10.22761457    -10.95564340
  H     17.37354681      9.06589596     -9.04503750
  O     15.29086397      6.83989485    -14.48434709
  H     16.95623226      5.66944481    -14.19426990
  H     16.37918151      9.94787949     -9.81128320
  O     17.31505002      9.86665864     -9.57953656
  H     18.19714333      6.12005251    -13.40637036
  H     16.79708148      9.41835650    -15.18945831
  O     16.53260321      8.77807087    -15.86393068
  H     17.89213791      2.90151622    -11.66178482
  H     16.13709210      9.29084306    -16.57836418
          69
 Energy    -248.51305780582439     
  O     -0.72793176      3.56292124      5.41704557
  H     -0.54686858      3.61230793      4.46863231
  H     -1.31716147      3.51709984     -2.41720115
  O      0.54256723      1.08003306     -0.56714218
  H     -0.38211886      2.70832537      5.70341729
  H     -3.50102988      4.15108011      6.82808137
  O     -1.41396867     -1.20448108      2.31824910
  H      0.01497292      0.26941385     -0.56298539
  H     -2.41133303      3.66101135      5.84618234
  O     -4.38375351      2.36967286      1.48547052
  H      0.00022567      1.73963303     -1.01492508
  H     -1.50485457      3.87344763      1.32661112
  O     -1.33187674     -0.97556212     -0.43616798
  H     -1.70789794     -0.31218859      2.56371258
  H     -2.97711535      3.64792826      0.91543462
  O     -4.89379113     -0.95551733      5.09515793
  H     -1.29629143     -1.19744705      1.35811715
  H     -4.56558447      3.42153013      4.65382775
  O     -6.72854442      0.89771441      4.40572985
  H     -4.94270285      1.57828962      1.48547561
  H     -5.73374053      2.51824388      4.18091788
  O     -0.04886928      0.84963010      6.08032109
  H     -4.65815993      2.86720730      2.27436338
  H     -1.04291182      2.45914466      2.82279003
  O     -3.29181935      1.01061463     -0.84871751
  H     -2.06671230     -0.36488866     -0.58378729
  H      0.40349599      2.76355198      2.36467852
  O     -5.83615923      0.05950081      1.86007404
  H     -1.59336063     -1.84444429     -0.76995793
  H     -3.12409125     -1.82858778      2.51870572
  O     -4.76428431     -3.36137807      0.13702217
  H     -4.13621914     -0.45078102      5.42312036
  H     -4.28270502     -2.60411723      1.83999738
  O     -1.37028589      2.88499825     -1.70575538
  H     -4.58502510     -1.46321371      4.33442322
  H      2.67962970      1.84353638      1.59308414
  O     -3.34617880      3.55505287      6.10012896
  H     -7.55057023      0.77587059      4.87277083
  H      1.35928169      1.42213377      0.90674826
  O     -2.14459653      4.03008981      0.61766476
  H     -6.11336024      0.21539895      4.73219180
  H      0.14018242     -0.71292530      3.26740387
  O     -5.15699938      3.24544415      3.91267677
  H      0.51891939      0.52435375      6.77371411
  H      1.20067007      0.39274168      3.07536240
  O     -0.41454638      3.18064272      2.66136480
  H      0.28316654      0.46851062      5.24758751
  H     -3.10546371      1.70296552      6.04020084
  O     -4.07239744     -2.01411987      2.57286547
  H     -2.68701887      1.60413974     -1.31342971
  H     -1.89653320      0.72700675      5.98947155
  O      1.76441716      1.64033163      1.76592645
  H     -3.61677327      1.51245260     -0.09183455
  H     -5.78047935     -0.52243935      0.08501204
  O      0.80366657     -0.18913169      3.73507655
  H     -6.30337950      0.33916782      2.65638777
  H     -4.71752085     -0.27434288     -0.99476694
  O     -2.84149046      0.80475652      5.79997295
  H     -5.20651675     -0.62478043      2.13249042
  H     -1.90199221     -4.37303279     -1.12554090
  O     -5.41805198     -0.88560165     -0.73537488
  H     -5.51736435     -3.93859184      0.04024125
  H     -3.11817057     -3.54279388     -0.68201674
  O     -2.25010469     -3.48462377     -1.10784114
  H     -5.01661232     -2.50472983     -0.25454154
  H     -3.09998404      1.60483518      2.58639145
  O     -2.34946557      1.24594532      3.07328155
  H     -1.61039817      3.38196800     -0.90224673
  H     -2.61165840      1.12794544      3.99507031
          69
 Energy    -248.51297287911223     
  O     13.95416785     13.26945626    -13.73105464
  H     14.41681260     13.81627065    -14.37796192
  H     18.43041571     11.17193279    -15.30108672
  O     17.65451117      6.95735509    -14.00086948
  H     13.56948000     12.54984783    -14.25049530
  H     15.44653349      9.74949681    -19.49858449
  O     19.49246542     11.18590636    -11.96384796
  H     17.49079967      7.28144354    -14.89337336
  H     15.35413775     10.38720764    -18.09448525
  O     17.89722497     14.31686552    -14.19997256
  H     16.94240663      6.33214433    -13.81648389
  H     17.01316279      9.89756459    -12.62174584
  O     15.31187462      5.38485738    -13.48270532
  H     19.02346092     11.64233325    -11.25611201
  H     16.40195982     11.34307412    -12.72497345
  O     15.66032666     10.62773540     -9.65629903
  H     19.20242678     10.26383515    -11.92369853
  H     12.93624158     10.39666704    -15.94343599
  O     14.60540830      7.02010444    -11.45454654
  H     18.55534889     13.65126226    -14.43609667
  H     13.42318632     10.44510879    -14.48790048
  O     12.90161787      8.96405161    -17.06677507
  H     17.23803005     14.34675769    -14.90441831
  H     17.72020093      8.40296821    -11.15620396
  O     16.55180187      8.10024790     -9.72654568
  H     15.04833073      5.89174315    -12.69289917
  H     18.08131629      8.04832603    -12.63983699
  O     16.72681100      8.26322164    -16.43456996
  H     15.14463334      4.46625784    -13.29244719
  H     15.46109642     13.22616931    -12.65033806
  O     14.35687743      7.39108070    -15.20326240
  H     16.36354317     11.28592209     -9.69836874
  H     16.94496516     13.61860258    -12.90473941
  O     17.60378796     10.72033774    -15.50509391
  H     14.91506359     10.97212842    -10.16655038
  H     20.69103858     12.23085510    -14.68592638
  O     15.30612480      9.54589759    -18.57703967
  H     15.25215556      7.32653178    -10.80625651
  H     19.69988955     11.82700527    -13.57048337
  O     16.38072642     10.45345466    -13.09851677
  H     14.25698723      7.81217755    -11.87961011
  H     17.95593004     13.27884652     -9.52507517
  O     13.24737724     11.00417114    -15.25568549
  H     13.23386774      8.28375128    -16.46466236
  H     17.22691177     12.85828623    -10.82303240
  O     18.18527875      8.71409551    -11.94269923
  H     13.59061528      9.06979953    -17.73291420
  H     16.24530010     11.42197973    -16.40296499
  O     16.35367319     13.15489759    -12.29158256
  H     16.20030461      9.00742247     -9.65318543
  H     14.68723203     11.47239475    -16.27661977
  O     19.76185878     12.15769077    -14.48540603
  H     16.75714156      7.81151351     -8.84162820
  H     13.47561569     12.16008250    -11.97390137
  O     17.75803054     12.52609172    -10.07688203
  H     16.32530408      8.49904425    -17.27926031
  H     13.46114444     10.62819251    -11.90283532
  O     15.43437119     11.72929777    -16.83797678
  H     17.14929485      9.07584487    -16.11941096
  H     15.31815659     14.99133924    -16.55197235
  O     13.54156037     11.42289614    -11.36004146
  H     15.18325550      7.69535776    -15.60606316
  H     15.52496986     13.47318743    -16.35485344
  O     15.57662741     14.33413455    -15.90976521
  H     14.57271014      6.58515529    -14.71798733
  H     14.01154835      8.56420746    -13.86353292
  O     13.95762128      9.24295306    -13.17492345
  H     17.14074030     10.61042101    -14.65901404
  H     14.83677415      9.65508465    -13.11683607
          69
 Energy    -248.51266036625390     
  O     15.57479235     14.78439879    -14.23762475
  H     15.48888369     14.36807265    -15.10668839
  H     14.23678209      9.25046497    -15.23087196
  O     16.77045307      7.46795042    -16.34180411
  H     16.49135796     15.10063942    -14.20268116
  H     16.34374076     10.29599469    -17.95546627
  O     14.85772880     10.82797455    -11.56148937
  H     15.97035860      7.43571801    -15.79159871
  H     17.03553213      9.07001637    -17.31209474
  O     18.28251101     15.16543504    -14.29562163
  H     16.88589070      6.59262171    -16.70472701
  H     14.31402746     10.73597675    -17.14755990
  O     14.66705290      7.61850500    -14.58871005
  H     15.42221746     11.61127871    -11.59828942
  H     13.85408833     10.96752514    -18.60714413
  O     13.22819694      9.14011025    -10.01809971
  H     14.12041960     10.99660145    -12.16379576
  H     19.30090534     12.25373736    -13.27404635
  O     14.44278536      6.81523452    -10.70215363
  H     18.71998110     14.53965922    -13.70897392
  H     19.99789911     12.93984353    -12.07720881
  O     16.47159938     11.41706438    -14.58509002
  H     18.46157500     14.84644976    -15.19360253
  H     13.88850509     14.38823251    -13.69219858
  O     12.73873775     11.29777805    -13.36590483
  H     13.86682673      7.25967300    -14.18080482
  H     12.53280807     14.78382027    -13.09498417
  O     16.08477605      8.43175635    -12.34215283
  H     15.21466975      7.92503708    -13.85012106
  H     17.90733773      8.04808369    -14.86612607
  O     19.24566485     10.94191751    -14.46520530
  H     12.45195809      9.19949428    -10.58922962
  H     17.63862822      8.40358594    -13.38895740
  O     14.19424915     10.18834819    -15.45831477
  H     13.84427339      9.80530096    -10.35606230
  H     13.17201701      6.72149894    -12.17576087
  O     17.20404611      9.90643050    -17.76338996
  H     14.55541762      6.21063077     -9.97390745
  H     12.08204638      7.67221869    -12.70066104
  O     14.58852571     11.08952188    -18.01136663
  H     14.00409281      7.60902123    -10.34536080
  H     18.90755032     13.13568256    -16.99231369
  O     19.22079197     12.97699050    -12.62873698
  H     16.37793973     11.90351809    -13.75672250
  H     17.54432050     13.83333842    -16.90582389
  O     13.02560293     14.03607342    -13.42500981
  H     17.39860114     11.15855243    -14.64236378
  H     16.11704546     13.68615972    -12.79921107
  O     18.31671906      8.42262318    -14.07819849
  H     12.76988741     12.26494901    -13.39815317
  H     17.40852650     13.02287270    -12.23547679
  O     12.61127280      6.90169118    -12.94122379
  H     13.14410125     10.95791850    -14.17513146
  H     16.10892833     12.62657648    -15.90064367
  O     18.49389891     13.98729046    -16.81370272
  H     15.67282959      7.79123066    -11.74794675
  H     15.30779916     12.69996270    -17.21201057
  O     16.44303920     12.97040842    -12.23739051
  H     15.74234369      9.30060911    -12.08931276
  H     11.72596151     10.06235949    -12.57919488
  O     15.77160721     13.24479354    -16.56818544
  H     19.45581534     11.05086374    -15.40159847
  H     10.35296166      9.52937926    -12.11332792
  O     11.28581246      9.32957351    -12.11652488
  H     19.05539462     10.00477703    -14.30027868
  H     18.66171798     10.80231638    -17.46704304
  O     19.46689660     11.29352892    -17.22370771
  H     15.02304008     10.58578965    -15.14424133
  H     20.12183666     11.09355589    -17.88726202
          69
 Energy    -248.51255230255430     
  O     14.32878508      9.36182148    -10.36598574
  H     15.00322572      9.81850929     -9.84857204
  H     13.29445598      7.94924017     -9.92246186
  O     13.02316030     10.32155449    -16.24279347
  H     13.96910078      9.96775588    -11.02836889
  H     18.36959726      8.51737843    -15.13589892
  O     16.01241689     11.03255265    -13.61724007
  H     13.22976564     11.13547604    -15.76690534
  H     19.89046680      8.32528771    -15.34995790
  O     13.78195865      4.97430257    -13.27669605
  H     12.78552192      9.66607511    -15.57560035
  H     14.80811171     12.18303637    -14.42195353
  O     17.11063869      7.60535183     -8.68976820
  H     16.65502798     11.13690931    -12.89939844
  H     14.06711945     13.47920471    -14.81782492
  O     15.91959002      7.67537727    -11.95094649
  H     15.19882569     10.72248104    -13.19920897
  H     13.61093856      7.97331606    -14.33148882
  O     13.39652140     10.66904731    -12.58617616
  H     14.27426364      5.51682315    -13.90289814
  H     12.29732779      7.82956282    -13.52908549
  O     18.61148597      8.46363835    -12.04915285
  H     14.38028445      4.81734032    -12.53172497
  H     14.40800470      9.92843130    -17.27797011
  O     17.67939873     11.00529669    -11.46499348
  H     17.82144899      7.16106287     -9.16661297
  H     15.01630432      9.49008437    -18.62257709
  O     17.81461628      5.57974780    -14.47888259
  H     16.38963408      6.97031053     -8.60129455
  H     10.88782934      6.01660689    -12.44188594
  O     18.21146771      4.60044833    -11.89480745
  H     15.39289790      8.24593425    -11.37814122
  H     12.40880823      5.86211895    -12.68334680
  O     12.87335297      7.08845913     -9.78091478
  H     16.83265300      7.99045457    -11.94147288
  H     14.56210220      5.34861124     -7.73221193
  O     19.16339201      8.07583364    -14.78567299
  H     13.29364352     11.43894164    -13.15550743
  H     14.10924792      6.23046803     -8.92046603
  O     13.94079684     12.54585443    -14.66762949
  H     13.11089795      9.89570235    -13.09694283
  H     15.32977969      5.08117753    -10.19736930
  O     12.79584200      8.43469857    -14.09292036
  H     18.91582645      8.27904640    -12.94633135
  H     15.72909647      5.95131972    -11.40080318
  O     15.24511221      9.71939135    -17.72618179
  H     18.97008941      7.79161559    -11.45509910
  H     18.91463839      5.72822768    -10.81919511
  O     11.72060506      6.47611774    -12.36838410
  H     18.14269557     10.17698200    -11.65805158
  H     20.05115686      6.11892954     -9.84309114
  O     14.87812826      5.78634383     -8.51781868
  H     17.32392755     10.89108529    -10.57622415
  H     15.75990196      7.78124349    -15.03449413
  O     15.57108069      5.03338937    -11.12936438
  H     18.38408266      6.34007167    -14.65035746
  H     15.48095686      7.29805764    -13.59212659
  O     19.24503098      6.43866005    -10.23852434
  H     16.91801848      5.90599219    -14.60347419
  H     16.79883682      9.31300839     -8.81697659
  O     15.27456545      7.11872631    -14.52588264
  H     17.29499267      4.53955906    -11.59309425
  H     16.66734716     10.67018314     -8.08645987
  O     16.55431067     10.24945872     -8.93446872
  H     18.15860583      4.84612297    -12.82913485
  H     16.35872828      9.41856697    -16.39559633
  O     16.81908069      9.21947477    -15.56700289
  H     12.43360830      6.86826525    -10.60909466
  H     16.56831530      9.88962808    -14.91542538
          69
 Energy    -248.51238075808953     
  O     16.41360670     10.36175789    -15.07990125
  H     17.29695847      9.97887228    -15.18835673
  H     14.41624557     10.25299820    -12.10799721
  O     15.21401469      7.18147582     -9.55965183
  H     16.50210625     11.30750851    -14.90928812
  H     18.64423448      4.05346890    -15.56107593
  O     16.57813047     13.02495544    -14.20276671
  H     15.53658912      7.00447493    -10.45994601
  H     17.32003640      4.85498587    -15.57086855
  O     12.75064143      8.28934335    -10.58997248
  H     15.25342191      6.35301897     -9.08763299
  H     16.01600426      7.91989087    -12.25009195
  O     14.42738772      8.55851618    -15.76385054
  H     16.54443741     13.81827923    -14.73168186
  H     15.34228108      6.63059386    -12.79113942
  O     18.81570840      9.03000945    -15.17062628
  H     15.84989257     13.08835197    -13.56056984
  H     18.48389761      7.91929846    -16.63300967
  O     20.74641852     10.55399148    -13.85794918
  H     12.97408216      9.16431546    -10.93590807
  H     18.36125553      6.38728932    -16.69362075
  O     18.49956368      6.87245742    -13.41638001
  H     13.54352984      7.94876421    -10.16145659
  H     16.51968839      7.16538617    -17.68919653
  O     11.70976189      7.00688326    -12.74976287
  H     14.72686122      8.09995010    -16.55870071
  H     15.45532215      7.05400839    -18.80721298
  O     14.53448141     13.15001234    -12.40263284
  H     15.09381499      9.23131893    -15.56400824
  H     16.21660167      9.89876543    -13.34517084
  O     12.25300012      9.46300799    -14.18340752
  H     19.54989791      9.56039730    -14.83687486
  H     16.78426989      9.98197192    -11.88340686
  O     13.51917963     10.61172538    -12.02395032
  H     18.68326707      8.30662092    -14.53987831
  H     18.15443187     12.56624741    -13.21777242
  O     18.28187513      4.92563197    -15.43164470
  H     21.58550642     10.98437202    -13.99446919
  H     18.63268850     11.75014804    -11.98849769
  O     16.00275263      6.95223547    -12.16256194
  H     20.14189625     11.22299343    -13.48717350
  H     18.80061990      9.77471101    -11.01720044
  O     18.19434092      7.19208725    -17.19972920
  H     17.65980952      6.81954829    -12.94024885
  H     17.68429787     10.16837465     -9.98497634
  O     15.56590594      7.06371242    -17.86042419
  H     18.51056379      6.13975030    -14.04501982
  H     14.21426005      7.15092313    -14.62723963
  O     16.05798807      9.64650384    -12.42667317
  H     12.04022359      7.42345778    -11.93371017
  H     13.23475043      6.45997756    -13.63893300
  O     18.93977325     12.23920059    -12.76587588
  H     10.85635045      6.63567193    -12.54389559
  H     19.57723926      7.94316843    -12.28023171
  O     18.12591982     10.43762543    -10.80105155
  H     14.09285131     12.30080488    -12.24221215
  H     20.39964451      9.23446294    -12.45930261
  O     14.09593117      6.36980545    -14.06526494
  H     14.24966024     13.72981194    -11.70090512
  H     16.10216297      8.70568022     -8.95524452
  O     19.98557645      8.67118324    -11.79402385
  H     12.90784487      9.21270795    -14.84854851
  H     16.01356637      9.94745537     -8.05916371
  O     16.57302625      9.51131252     -8.69825211
  H     11.93004516      8.63646206    -13.80509750
  H     15.03383800      5.27088151    -15.23135702
  O     15.61730313      4.93856742    -15.92680449
  H     13.02198174     10.31133782    -12.80091577
  H     15.50483694      5.54457573    -16.66970937
          69
 Energy    -248.51219156974949     
  O     14.79087107     12.31236657    -13.39335185
  H     15.36640793     12.33451621    -12.61957228
  H     18.62436395     10.38539016    -13.45596163
  O     15.03259813      6.13018766    -13.66643651
  H     15.38398938     12.33213378    -14.15380639
  H     15.50410092      7.84429058    -13.64381539
  O     16.68102213      7.43921486     -9.78967509
  H     15.12951291      5.99293597    -14.61958144
  H     15.64234271      9.14189538    -14.50085477
  O     18.51620954      8.49832968    -13.69512214
  H     14.10072588      6.27146102    -13.45156426
  H     13.27278881     11.45367263    -13.38438923
  O     13.76790963      8.24342946    -17.24892745
  H     16.07647884      7.15049349     -9.09501218
  H     11.74071844     11.64594572    -13.41391569
  O     12.34279759      7.31050701     -9.17908534
  H     16.29672098      8.24001982    -10.17229145
  H     15.11119602      4.45755426    -10.48788074
  O     12.49191153      6.85517432    -12.82686216
  H     18.78625622      7.91754552    -12.96941743
  H     14.51612041      4.95507899     -9.15897395
  O     15.55305955      9.64749099    -11.04706215
  H     17.55906227      8.61631293    -13.59801496
  H     12.29888379      7.93493295    -14.33662159
  O     18.00557590      7.74117397    -16.28436896
  H     13.17696263      8.20161323    -17.99528510
  H     12.37804088      9.46612078    -14.50871507
  O     11.89930475      4.99126810    -10.83339847
  H     13.21423969      8.36993978    -16.45586706
  H     18.33919152      6.01216505    -11.74298714
  O     15.54459361      6.16816502    -16.35712074
  H     12.04105387      6.54501894     -9.68354678
  H     18.37190553      7.19256670    -10.79681895
  O     18.41725333     11.32058998    -13.33466842
  H     12.41243990      8.03637676     -9.81320875
  H     16.01309543      5.44757361    -12.31527562
  O     15.76994602      8.77575058    -13.62036892
  H     12.64786149      7.62912718    -12.26592911
  H     16.52402676      5.96289995    -10.94413142
  O     12.42264756     10.98012699    -13.36929336
  H     12.19235796      6.15111780    -12.23801274
  H     14.58904714      6.50793799     -7.07033507
  O     14.35398437      4.35347250     -9.89554275
  H     15.61847454      9.38242981    -11.97883472
  H     13.83686369      6.85710893     -8.37563125
  O     12.36663065      8.63513049    -14.99874391
  H     15.96732139     10.51562572    -10.98053728
  H     16.43093563     11.28323288    -15.88195851
  O     18.84398165      6.81150582    -11.54882276
  H     18.78901776      7.51947143    -16.78126851
  H     16.89192096     12.71994051    -16.22548245
  O     16.48817383      5.18052381    -11.51487695
  H     18.29797885      7.94312172    -15.37915156
  H     13.78400267      9.33079536    -11.06001328
  O     14.67544754      6.51306591     -8.01985307
  H     12.77755078      4.69122891    -10.53498819
  H     12.58290787      9.81295405    -11.89819150
  O     16.70971382     12.13176053    -15.49708999
  H     11.30535128      4.25406878    -10.72372241
  H     17.43968195     11.85377735    -11.99213472
  O     12.85179205      9.15029182    -11.25095959
  H     16.41338761      6.58643081    -16.38546191
  H     17.20844892     12.77164478    -10.76694665
  O     16.78015345     12.13486650    -11.33196623
  H     14.92779763      6.79480051    -16.75572296
  H     15.19203309      9.25946834    -16.75716435
  O     15.96835175      9.66624589    -16.35053469
  H     17.94767002     11.60608970    -14.12833194
  H     16.70085870      9.04032177    -16.43560661
          69
 Energy    -248.51213731938628     
  O     -7.88246183     -2.74498645      6.00785232
  H     -6.99614059     -2.48899132      6.28727054
  H     -7.36460109     -1.84762131     -0.05864374
  O    -10.40519620     -2.55717416      2.46236271
  H     -8.46192436     -2.00507664      6.24097123
  H     -4.17871554      0.55095795      1.99787595
  O     -8.39427662     -4.00586598      3.72798010
  H     -9.72989921     -3.08408089      2.91875547
  H     -3.08447758      1.39106772      2.70287719
  O     -4.95056951      0.31771791      0.33663729
  H    -11.19874770     -3.08733022      2.44173276
  H     -6.89855664     -0.99094598      3.10245005
  O     -6.71485816      0.65610840      5.92126787
  H     -8.22632168     -3.56003470      4.58118044
  H     -7.27720029      0.39131385      2.50260926
  O     -5.51861120      4.97080191      1.15250409
  H     -8.36215958     -4.94341853      3.89817057
  H     -4.69512486     -1.89424435      7.37077906
  O     -9.88443528      1.28145087      0.06072167
  H     -5.24660388     -0.55913708      0.07420838
  H     -4.82828421     -1.69095803      5.84107216
  O     -9.30857084     -0.40804285      6.48670641
  H     -5.76983444      0.80684164      0.52513041
  H     -1.11994437      3.11030134      2.39910907
  O     -4.14478801     -1.64878905      4.25951556
  H     -6.91409322      0.37201854      5.01474972
  H     -2.56638768      3.55819445      2.72435315
  O     -3.93379247      2.98834049      0.11642017
  H     -6.19839903     -0.05913680      6.31399493
  H     -9.28758927      2.96005749      2.72722474
  O    -10.03273581     -0.02620701      3.76331111
  H     -5.54317049      5.70129667      0.53995550
  H    -10.15115711      1.70558803      3.05346225
  O     -6.43274025     -2.12089535     -0.14054857
  H     -5.00662102      4.26363894      0.72153162
  H     -6.90769319     -3.19057583      2.90096517
  O     -3.81079982      0.77585981      2.86375763
  H    -10.37427907      1.75126658     -0.60851168
  H     -6.22996020     -2.56004353      1.63963195
  O     -7.31716747     -0.14527110      3.30386156
  H    -10.06013022      1.73248668      0.90683518
  H     -9.39698294     -0.53881940      0.11506739
  O     -5.31894039     -1.67931516      6.68321272
  H     -9.75282494     -0.21834088      5.65049222
  H     -9.52458508     -1.82780250      0.95024276
  O     -2.03554918      2.88776670      2.25717546
  H     -8.50191381      0.12376936      6.47345957
  H     -4.35418398      4.90975459      2.71424904
  O    -10.08667220      2.48097047      2.47784079
  H     -4.75071611     -2.10140187      3.65758920
  H     -4.33423023      3.98950958      3.94566823
  O     -6.18614287     -2.62367218      2.60259416
  H     -3.93247345     -0.80579585      3.83791384
  H     -5.82174389      2.03060430      5.10952417
  O     -9.03411664     -1.42648421      0.22305135
  H     -3.17984533      2.95718794      0.71939409
  H     -4.90912980      1.90022965      3.86874084
  O     -3.78666962      4.59931720      3.43009158
  H     -4.21189787      2.07182283      0.00100923
  H     -7.30071333      2.29480907      1.57871413
  O     -5.40788091      2.53780367      4.39929035
  H    -10.37089189     -0.82730265      3.34971856
  H     -8.10842370      1.43115607      0.56939640
  O     -7.25847929      1.50795509      1.01750945
  H     -9.07096712     -0.07271450      3.64202385
  H     -6.79099256      3.26811248      3.42756810
  O     -7.40053421      3.62068912      2.76260484
  H     -6.38059510     -2.68507652     -0.90767633
  H     -6.87851360      4.22859760      2.22165105
          69
 Ord_Energy   -248.511856    
 O   -2.23503304       7.33161354       1.25033510    
 H   -2.63911676       7.27147198      0.375437111    
 H   -2.68585730       8.02775002       1.74281740    
 O   -3.85811734       3.88330507       5.68216372    
 H   -4.61487198       4.42901850       5.92818975    
 H   -4.17112303       3.31251383       4.96953964    
 O   -1.87187660       9.28054905      -1.70551467    
 H  -0.998387039       9.28095055      -1.29701376    
 H   -2.28510761       10.1082258      -1.42929089    
 O   -4.96020842       2.37983537       3.45754218    
 H   -4.68089628       2.74796319       2.60220408    
 H   -5.00021076       1.43308222       3.34672618    
 O   -4.40028620       7.06084394       4.19575214    
 H   -5.01562357       6.72269869       4.85734987    
 H   -3.55495095       6.61356354       4.34479570    
 O   0.494633913       7.42756367       1.54576755    
 H   0.784429371       6.50652456       1.48778582    
 H  -0.467495620       7.43012238       1.41476655    
 O   -4.26130819       3.70412731       1.16240430    
 H   -4.00546789       3.77948403      0.231997237    
 H   -4.75834131       4.50838041       1.37730050    
 O   -5.95231676       7.86063290     -0.237775460    
 H   -6.77744055       7.97916126     -0.700428843    
 H   -5.66578531       8.74261475       6.42182678E-02
 O   -3.56969380       9.26032543       2.80980039    
 H   -2.84817457       9.71806431       3.25836205    
 H   -3.92271495       8.59050751       3.41299677    
 O   -6.12590027       5.66394567       5.92086744    
 H   -6.55676413       5.19550085       5.18329382    
 H   -6.79511929       5.81614399       6.58197832    
 O  -0.922412753       11.3337822       1.24031532    
 H  -0.975741923       11.0447321       2.15839076    
 H  -0.307439387       10.7375784      0.794007838    
 O   -4.99451733       10.1917925      0.644497514    
 H   -4.54977369       9.94410419       1.46868801    
 H   -4.37313938       10.7594299      0.173608035    
 O   -2.91791010       11.6789551     -0.559342146    
 H   -2.23112965       11.6183357      0.129345044    
 H   -2.88830924       12.5697927     -0.897553623    
 O  -0.300420731       7.89348602       4.25050020    
 H   0.123098440       7.68352127       3.40855050    
 H  -0.832642376       7.12620449       4.49677324    
 O   -5.63089895       6.00260019       1.87965775    
 H   -5.77927446       6.65695190       1.18709886    
 H   -5.17191410       6.43552542       2.61238956    
 O   -2.02100420       5.65518856       4.63978195    
 H   -2.53558230       5.00734758       5.14358854    
 H   -1.87204397       5.25584412       3.77098966    
 O   0.640357614       9.47355843     -0.243967116    
 H    1.50641859       9.58448792     -0.628084123    
 H   0.705575287       8.73241520      0.381717563    
 O   0.902187645       4.69566154       1.52179956    
 H   -4.50450294E-02   4.55891037       1.68697953    
 H    1.35833812       4.06121445       2.06957650    
 O   -1.81897283       4.72979641       2.03697133    
 H   -2.59129667       4.22507238       1.75784218    
 H   -1.98573971       5.64209747       1.75272179    
 O   -7.01674986       4.35856771       3.71386147    
 H   -6.45362854       3.57633686       3.65421891    
 H   -6.72967243       4.93770409       2.99456024    
 O   -3.43747568       7.09077406      -1.25374782    
 H   -2.92108178       7.85999393      -1.54161894    
 H   -4.32824278       7.38523054      -1.02415228    
 O   -1.26695895       10.3875208       3.92580867    
 H  -0.883790195       9.50861168       4.09964752    
 H   -1.10716486       10.9159899       4.70299244    
 O   -3.41800594       4.32091379      -1.37607217    
 H   -2.82036090       4.02443933      -2.05784202    
 H   -3.39304376       5.29087496      -1.40400803    
          69
 Energy    -248.51148605433187     
  O     16.20206499     10.97253368    -10.14706462
  H     16.94278633     10.60792075    -10.65675450
  H     14.70092199      8.41228494     -7.40794476
  O     15.53579191      4.63430299     -7.64689800
  H     15.41278437     10.74970164    -10.66056942
  H     18.71488678      6.43568477    -14.53069633
  O     13.02976477      6.00661203     -7.97697015
  H     15.76313866      3.77320305     -7.30759383
  H     17.29999664      6.56049585    -13.94412443
  O     14.24309154      9.91069506    -11.77730437
  H     15.83119634      5.28364810     -6.98292603
  H     16.03509723      7.06389013     -9.44556329
  O     18.19465711      9.80153612    -11.66431832
  H     13.26818400      6.78674510     -7.45619936
  H     15.95427590      5.53376482     -9.22466102
  O     20.43709795     10.76378893    -10.25830296
  H     13.77668263      5.40364390     -7.89372148
  H     17.69022264     11.69679183     -5.41366381
  O     18.44481718      7.08972461    -11.08409832
  H     14.25153121      8.94721856    -11.69483952
  H     16.74721582     11.40625375     -6.60543234
  O     11.91210193      6.89647311    -10.25552378
  H     14.81381876     10.09965001    -12.53679875
  H     16.08274893      9.02729089    -13.99270959
  O     15.28591650     11.73715837     -7.51852977
  H     19.02872598     10.17426466    -11.35351144
  H     16.98346543      9.93789986    -13.13327029
  O     12.26169490      9.70750625     -9.79080566
  H     18.23430809      8.85372320    -11.47073658
  H     16.77619202      8.56144610     -8.02455089
  O     12.66921163     10.66896979     -7.29399899
  H     19.84557483     11.29675735     -9.69694583
  H     16.08218486      9.42451539     -9.12084468
  O     14.04751691      8.27320034     -6.70428210
  H     21.22521360     11.28079040    -10.39918923
  H     17.72459601     11.93474748     -9.26129628
  O     18.21328760      6.32195155    -13.72654693
  H     17.67349275      6.67942598    -10.67028605
  H     18.38232669     11.84121403     -7.87892351
  O     16.09319224      6.20697207     -9.90039600
  H     18.48919985      6.74922924    -11.98829203
  H     16.97077406      7.17531457     -6.09574116
  O     17.63385432     11.22870786     -6.24269293
  H     11.06387791      6.47833714    -10.37567298
  H     15.43837427      7.18138619     -5.91822250
  O     16.20605234      9.94043771    -13.70815698
  H     12.29163001      6.53267105     -9.43436578
  H     14.91162503      6.69091469    -11.14623281
  O     16.02190980      8.59812842     -8.63168231
  H     14.38105551     11.42729165     -7.38959236
  H     13.39620280      6.94575437    -11.35241272
  O     18.56103607     12.06435631     -8.80097694
  H     15.47758818     11.62341959     -8.45658164
  H     20.18015926      9.08502616     -9.32761611
  O     16.21416569      6.60579444     -5.90130598
  H     12.05313504      8.77390014     -9.91545959
  H     19.47622100      7.75406074     -9.64107344
  O     14.26303153      7.06682284    -11.75991720
  H     12.84420675      9.94602757    -10.52317519
  H     18.05779162      9.41738951     -6.54567545
  O     19.85465128      8.27438263     -8.91992669
  H     12.48604613     10.34856348     -8.19600449
  H     18.80886445      8.40844231     -7.48742580
  O     18.10058010      8.49596899     -6.82993941
  H     11.88128207     11.11490952     -6.99566167
  H     15.05949426      7.07561259    -13.35405506
  O     15.55973191      7.14744717    -14.18434441
  H     13.50034234      9.06578002     -6.70369076
  H     14.95053729      6.93225812    -14.88675541
          69
 Energy    -248.51124779453261     
  O      9.84104119      8.65269205    -11.37011236
  H      9.98418010      7.69792670    -11.24065089
  H     18.08117884      9.14735828    -14.95652326
  O     14.23571950      7.35558383    -15.45592450
  H      9.16663074      8.91840388    -10.75133653
  H     14.89848405     11.92750113    -14.17805888
  O     17.62671509      9.75234229    -10.38680335
  H     14.78307480      7.53192423    -14.67261039
  H     15.41997883     11.34101113    -12.84598190
  O     17.88514630     10.90208909    -14.68007230
  H     14.83882061      7.41298961    -16.20493917
  H     16.75231809      7.91463735    -13.88424096
  O     12.47255659      9.35749727    -14.69316011
  H     17.61928218     10.23114449     -9.56146732
  H     16.03097474      7.07839071    -12.76955864
  O     15.96202911      5.74589703    -11.52135842
  H     16.74280428      9.85618959    -10.77603860
  H     11.42185618      6.02380222    -11.14156915
  O     13.08033137      5.26109301    -14.05930914
  H     17.12123056     11.34395363    -14.27830553
  H     10.31801302      5.67083826    -12.15219525
  O     15.21978231      9.87331645    -11.70173853
  H     18.54718144     10.82761898    -13.97744491
  H     19.45047737      7.24829333    -12.34171037
  O     16.03853744     10.59939994    -16.81954643
  H     13.03141931      8.65127979    -15.04597327
  H     20.81811849      6.98704132    -13.01769022
  O     15.27743036      3.72835830    -13.28226176
  H     12.82192833     10.18564862    -15.04610810
  H      9.59364749      5.03455992    -14.57538993
  O     16.44367512      7.76468784    -17.18256505
  H     15.87357520      4.95742830    -12.07649489
  H     10.14879359      6.42967494    -14.20065045
  O     18.12865508      8.18246322    -15.05237329
  H     15.06278704      5.99079490    -11.26293852
  H     19.83224960      9.37728360    -12.70375047
  O     15.62330431     11.97658503    -13.54455327
  H     13.42542771      5.93106635    -14.66656620
  H     18.90595051     10.17839422    -11.77582841
  O     15.93471402      7.82231237    -13.37891684
  H     12.11878331      5.25151814    -14.14655582
  H     18.11057369      7.93072980    -10.67707830
  O     10.46233195      6.00144148    -11.25701214
  H     14.27015306      9.74723187    -11.58221524
  H     17.58322038      6.52132812    -11.04744757
  O     20.00216886      7.46990664    -13.11423431
  H     15.49650415      9.19496183    -12.33816119
  H     13.47993282     12.35980576    -16.22408714
  O     10.28861894      5.47153044    -14.09067456
  H     16.76608138     10.78595296    -16.21044397
  H     14.54999863     11.24420636    -16.17561963
  O     19.49524862     10.26500773    -12.53544317
  H     16.13095657      9.67461135    -17.07313079
  H     13.08308364      7.39089357    -11.60524262
  O     18.38336829      7.06028821    -10.99338853
  H     15.11345567      2.78947344    -13.32550200
  H     13.21093042      6.04401352    -12.36818876
  O     13.76396468     11.59975696    -15.72276566
  H     14.47332214      4.15671285    -13.61616518
  H     11.64292557      9.12220937    -11.62004517
  O     13.25665040      6.44686275    -11.48898732
  H     17.10923523      7.81569284    -16.47464102
  H     12.54398377      9.26702929    -12.87325617
  O     12.56184672      9.15618903    -11.91094579
  H     16.86724055      7.34474572    -17.92692238
  H      9.80793955      8.44663847    -13.29509659
  O      9.98207014      8.16040323    -14.20012470
  H     18.84951584      7.86830184    -14.49186262
  H     10.77229146      8.63957156    -14.48471381
          69
 Energy    -248.51116794456044     
  O     16.36933561      9.85482440    -15.12909858
  H     17.28754539      9.56352491    -15.04259642
  H     19.96657157      4.36658718    -14.45939177
  O     13.90029643      6.77088461     -9.88265589
  H     15.83482387      9.08753420    -15.37720471
  H     15.51739288      6.72394686    -10.91176819
  O     15.28525830     12.30037565    -14.63395815
  H     14.11581923      7.67320539     -9.57916626
  H     15.99188434      7.81310300    -11.89769072
  O     14.88281471      7.60189519    -15.69651335
  H     13.80536759      6.23651535     -9.09877007
  H     19.11163101      7.67007250    -15.86269823
  O     18.89371605      8.97706642    -14.53473567
  H     15.12140270     12.80992941    -15.42349360
  H     18.29371630      6.74636875    -16.80596862
  O     19.68902041     11.22189065    -13.08347458
  H     15.67468941     11.45490142    -14.91953952
  H     16.72531567     11.82505794     -9.97881083
  O     18.76427581      7.03233761    -12.53349994
  H     14.86615965      6.93554014    -14.99502723
  H     16.69113548     13.24207680     -9.36079508
  O     12.48224622      6.52010157    -12.28560583
  H     15.36366676      7.19793546    -16.42991525
  H     16.55583867      5.44790339    -16.78737637
  O     12.71601048      8.72323795    -14.15775073
  H     18.82879139      8.31326955    -13.83231931
  H     16.43106597      5.76358044    -18.29846554
  O     13.48264508     11.00825644    -12.83946016
  H     19.26243683      9.77240744    -14.12914630
  H     14.94405875      9.95342093    -12.36627215
  O     13.71432377     11.59653652    -10.11956156
  H     18.88251468     11.75363960    -12.96199709
  H     16.11979326      9.61040496    -13.29350372
  O     19.21139457      4.94414492    -14.38275947
  H     20.40749007     11.83877359    -13.19670467
  H     16.68247149     12.65530173    -13.37189325
  O     16.14504903      6.89443197    -11.62231208
  H     18.96345039      6.24169183    -13.04999121
  H     17.04709940     12.79863173    -11.87664779
  O     19.13308833      6.82814926    -16.33745936
  H     17.89227895      6.89974136    -12.13618132
  H     18.06507620      9.80812764    -10.19514509
  O     16.39370371     12.73100943    -10.10959774
  H     12.92870836      6.64765218    -11.43358981
  H     16.69537518      9.94728118    -10.89344361
  O     16.55288233      6.16894879    -17.44398374
  H     11.59868835      6.21744963    -12.08774929
  H     13.90544166      5.75509536    -13.32579015
  O     15.79026689      9.48892183    -12.39589538
  H     13.34302845      8.39715119    -14.81428058
  H     15.38042732      6.01383410    -12.99626019
  O     17.42472494     12.68467992    -12.75773176
  H     12.59016480      8.00387738    -13.52747879
  H     19.73727449      9.93793154    -11.63643676
  O     17.15821504     10.11273858    -10.05781323
  H     13.10143748     10.26989999    -13.33897596
  H     19.46919848      8.43431462    -11.41723762
  O     14.79647448      5.65180106    -13.67890747
  H     13.97182987     11.55905675    -13.46271677
  H     14.18618481     10.00942829     -9.37071827
  O     19.61677245      9.26766476    -10.95211139
  H     14.52109875     12.12460095    -10.11863458
  H     15.58851445      9.40302951     -9.22102709
  O     14.65204991      9.20445250     -9.10040363
  H     13.48423092     11.46884861    -11.05048144
  H     15.92860527      4.65009645    -14.77870178
  O     16.59610213      4.36278034    -15.41629956
  H     19.26670692      5.57978996    -15.11991494
  H     17.44987866      4.43419436    -14.97191844
          69
 Energy    -248.51105943980360     
  O     -2.61487237      4.47643624      3.35535970
  H     -2.91146682      3.57515226      3.56563863
  H      1.42344732      0.65357190      2.61189051
  O     -3.22876924      1.83558702      3.73009705
  H     -3.27959686      5.07166997      3.69255768
  H     -3.94089466     -0.78857569     -0.77991210
  O     -1.09232664     -1.78792452      4.19972124
  H     -3.08600660      1.30820337      4.52403474
  H     -2.50941584     -1.09155440     -1.25704575
  O     -1.04148260     -2.08893792     -0.52318492
  H     -2.53937338      1.55644239      3.10431273
  H     -0.07264467     -3.28493016      3.60694405
  O     -0.19865939      1.67125269     -2.10800499
  H     -1.62405460     -1.81912607      3.39015298
  H      1.40207751     -3.49083631      3.20940633
  O     -4.81916059      1.56370293      1.39874817
  H     -1.56824340     -1.22062685      4.81741452
  H      0.30308812     -4.22992482      1.41383299
  O     -2.50298302      1.96741431     -0.42370688
  H     -0.64461454     -2.94468177     -0.31550931
  H      0.26578594     -5.29117346      0.28897746
  O      1.08089963     -0.29246418     -0.62032435
  H     -0.31308556     -1.45300868     -0.57856798
  H      1.84467017     -3.20909876      0.26773096
  O     -1.47436586      0.91176100      1.87638329
  H     -0.98383382      1.87076161     -1.58017991
  H      2.14588705     -1.73951633     -0.08316424
  O     -5.00786201     -1.09040666      0.82901054
  H     -0.46324706      1.78801549     -3.01832679
  H     -2.58632203      0.08420744      6.75729170
  O     -2.44666903     -1.68334413      1.80805427
  H     -4.19004803      1.90606350      0.75428880
  H     -1.46952539      0.68435580      5.86738309
  O      1.27338969      1.06732160      1.75072568
  H     -4.41278537      1.68789063      2.26728657
  H      0.68161561      0.87354534      5.25379203
  O     -3.25383576     -0.48920838     -1.38747121
  H     -2.82870625      1.17964791     -0.88776219
  H      0.08028272      2.30434767      5.28792003
  O      0.51881018     -3.86986816      3.11747651
  H     -2.09061183      1.63640620      0.39143566
  H      2.91017810     -2.43412519      2.06611546
  O      0.29175426     -4.35145323      0.44744180
  H      1.22116330      0.18031281      0.21388290
  H      3.91090137     -2.76129621      3.20005674
  O      2.50767781     -2.51494156      0.36590355
  H      0.74853344      0.36392823     -1.24689463
  H      0.53317722     -0.89909249      4.08533879
  O     -2.32076886      0.20554295      5.84984484
  H     -0.51037817      0.94513948      1.86593926
  H      2.04377043     -1.09279991      3.80200088
  O      0.05309073      1.43780979      5.71954711
  H     -1.75735479     -0.01206923      1.84922681
  H     -0.85034197      4.15946393      4.09580569
  O      3.01954477     -2.46716970      3.03355604
  H     -5.04218927     -0.14377726      1.05394768
  H      0.54798400      3.89654286      3.52464460
  O      1.38291151     -0.43543749      4.05418846
  H     -5.90253548     -1.41692285      0.86726382
  H     -1.83195830      4.40783030      1.63073828
  O      0.02627524      3.83638105      4.33348943
  H     -3.37347157     -1.57347640      1.56167223
  H     -1.79900670      3.65133141      0.28009563
  O     -1.30999066      4.27481270      0.82811840
  H     -1.95988187     -1.90219143      0.99985636
  H      0.35366589      4.02006134      1.33824080
  O      1.22706196      3.85285920      1.73522927
  H      1.38636263      2.02404181      1.81761417
  H      1.82969285      4.48271076      1.34875846
          69
 Energy    -248.51088161903425     
  O      3.52744874    -10.31861575     -0.79670384
  H      2.66344112    -10.15190309     -0.37794137
  H      7.89397048    -13.15555309      4.23503017
  O      8.32892661    -10.01590284      4.48499715
  H      3.52364838     -9.86606762     -1.63547561
  H      4.71823491    -15.35701978      4.02829203
  O      3.21376402    -13.37331073      7.58752717
  H      9.08825676     -9.44042905      4.45033873
  H      4.92985663    -14.57485422      2.72301723
  O      4.03879812    -12.21350793      4.40827098
  H      7.55892722     -9.47969162      4.22485984
  H      4.45947808     -9.99536136      0.80678795
  O      2.43698405     -9.33714562      3.21457888
  H      2.38697292    -13.42428887      7.09255159
  H      5.12852899    -10.89171398      1.87233875
  O      7.09536504    -11.26212181      6.72947697
  H      3.54250503    -12.47251961      7.46705212
  H      4.95410865    -12.51376633      3.01301289
  O      3.67908279    -12.99345381      0.15233034
  H      4.22345061    -11.70392746      5.20939730
  H      6.41889281    -12.73121609      2.52316911
  O      1.34867515    -11.76503052      3.93506523
  H      3.09500712    -12.12614549      4.22827023
  H      3.41850699     -7.57102068      5.77399132
  O      4.39340683    -10.85596896      6.76438274
  H      3.22573579     -9.61436105      2.72616389
  H      3.21961847     -8.65368061      4.69077204
  O      7.56938563    -13.98177916      5.92772047
  H      1.99588465    -10.13980038      3.53344795
  H      3.66006398    -15.83782031      1.39573507
  O      0.53278098    -15.52693285      1.31564184
  H      7.56600256    -10.77809955      6.03952325
  H      3.36633677    -14.86802915      0.23781451
  O      7.91420516    -12.62388103      3.42952229
  H      7.30907993    -12.19111797      6.58215203
  H      4.61780883    -13.76373036      5.17087447
  O      4.49959874    -15.35826594      3.08647495
  H      3.68444786    -12.16256223     -0.33753442
  H      4.37211485    -14.37248463      6.53564686
  O      4.77048781    -10.00864287      1.72034564
  H      4.38234939    -12.93005453      0.81505696
  H      0.09592661    -14.06766008      6.31035716
  O      5.49365790    -12.73467162      2.23414856
  H      1.04044357    -12.34596054      4.64187100
  H      1.17393690    -14.33603036      5.23111221
  O      3.77421766     -8.39311666      5.44481280
  H      1.19525214    -12.20643367      3.08701173
  H      1.21155006    -15.44083655      3.09156012
  O      3.13671905    -15.73858152      0.59032972
  H      4.18958125     -9.96153354      6.46867284
  H      2.64792219    -15.31760928      3.63009188
  O      4.88390112    -14.51196242      5.72697874
  H      5.35817042    -10.93145739      6.84808547
  H      1.45998246     -9.60559578      1.48459499
  O      0.86818023    -13.69142777      5.89587249
  H      8.04465842    -14.68083525      6.36969288
  H      1.00087383    -10.93684389      0.85468352
  O      1.72166949    -15.29396920      3.89667796
  H      6.63569979    -14.24947286      5.90483339
  H      5.69696922     -9.00030994      2.99058409
  O      1.24729271    -10.02605798      0.64330896
  H      1.43211837    -15.69798401      0.98009467
  H      5.40052665     -8.48004820      4.41236517
  O      6.11370569     -8.63835541      3.78359775
  H     -0.04476858    -16.15644063      0.89348661
  H      0.74895616    -13.65500491      1.31000453
  O      1.14013006    -12.77480822      1.35889092
  H      8.13087819    -11.72705573      3.71599923
  H      2.02501777    -12.85544432      0.97495765
          69
 Ord_Energy   -248.510513    
 O   -6.58383846      0.616196811       5.28116322    
 H   -7.38262272      0.847518027       4.79311895    
 H   -6.04423618       8.31589326E-02   4.68025112    
 O   -12.4724722      -2.34972382       4.04680252    
 H   -13.3924341      -2.21666622       3.83095121    
 H   -12.0151939      -2.53879523       3.20963645    
 O   -7.76924753      -2.63625908       4.31438255    
 H   -8.20267487      -2.41944027       5.14914894    
 H   -7.71350384      -3.59792805       4.25481701    
 O   -10.2770519      -5.45662785       2.91309142    
 H   -10.4899321      -4.57097244       2.58552933    
 H   -9.95646763      -5.95042753       2.14877653    
 O   -4.84253263      -2.00241661       1.07545996    
 H   -5.69304562      -2.11240625      0.631527483    
 H   -5.03693104      -1.60590494       1.93631613    
 O   -3.70685077      -3.52986193       4.56745958    
 H   -2.79086614      -3.61124206       4.82591820    
 H   -3.78071165      -3.93669701       3.69086790    
 O   -3.91632175      -4.39631033       1.88558137    
 H   -4.17706585      -3.52336740       1.53551590    
 H   -3.22592521      -4.72678280       1.31661332    
 O   -7.44831228      -5.59797287       6.70229053    
 H   -6.75398350      -4.93948174       6.85854816    
 H   -8.24829102      -5.26630640       7.12519073    
 O   -10.7205639     -0.406225234       5.23031998    
 H   -11.3657999      -1.01780903       4.85875893    
 H   -10.1791248     -0.922422647       5.84456921    
 O   -9.00689030       1.11283875       3.80008841    
 H   -9.35967827       1.98774886       3.66199374    
 H   -9.66492844      0.623120248       4.32755327    
 O   -7.73130798      -5.38354731       4.03287220    
 H   -8.66142941      -5.48090219       3.78917146    
 H   -7.62439585      -5.59022760       4.97369051    
 O   -8.78724575      -1.22469330       2.24401355    
 H   -8.85281181     -0.325747669       2.58404422    
 H   -8.45058060      -1.75913703       2.98169851    
 O   -7.46823692      -2.73239446      0.298841208    
 H   -7.90864134      -2.13983583      0.926256955    
 H   -7.23499584      -3.53986645      0.778251648    
 O   -11.3979635      -4.63943052       5.38265133    
 H   -11.8353100      -3.84680200       5.04853344    
 H   -11.0827866      -5.10784483       4.59990788    
 O   -5.50702333      -3.61836672       6.87703609    
 H   -5.76289082      -2.70518374       7.05198097    
 H   -4.92510319      -3.60180306       6.10954142    
 O   -8.91155434      -6.46477175      0.616993010    
 H   -8.73231506      -7.32789612      0.252385050    
 H   -8.05297184      -6.08317471      0.865047157    
 O   -9.90687466      -4.45270061       7.63433456    
 H   -10.4126635      -4.76549339       8.37942791    
 H   -10.4685974      -4.56561756       6.84584379    
 O   -5.35829353      -1.38115716       3.77368712    
 H   -6.20203829      -1.82005334       3.96494150    
 H   -4.67669058      -1.97041786       4.11770058    
 O   -10.9355116      -2.91478181       1.85532546    
 H   -10.7726545      -3.27054572      0.969913304    
 H   -10.2494526      -2.24794102       2.00383115    
 O   -6.64965010      -5.17389441       1.56672084    
 H   -6.96218204      -5.27971268       2.48039055    
 H   -5.69860125      -5.03445721       1.61955142    
 O   -9.92430496      -3.98490477     -0.465490878    
 H   -9.09458065      -3.48978162     -0.426361859    
 H   -9.68215561      -4.89718866     -0.267837942    
 O   -8.99140453      -1.97364974       6.74209929    
 H   -8.18460751      -1.65393674       7.16606522    
 H   -9.26264954      -2.79697704       7.16776371    
 O   -6.49879074     -0.963211834       7.48590422    
 H   -6.51627064     -0.346168637       6.73235226    
 H   -6.17721415     -0.470718741       8.23636913    
          69
 Ord_Energy   -248.509995    
 O  -0.993148327       2.98748493       4.28333473    
 H   -1.92011821       3.01302290       4.01534986    
 H  -0.824090898       3.79585195       4.78868008    
 O   -3.47341299       4.66229439       6.33632374    
 H   -3.67932534       4.16185141       5.53863144    
 H   -2.54730105       4.92529678       6.25135279    
 O   -3.81557202       2.93017316       3.99304485    
 H   -4.43988943       3.05313134       3.28222942    
 H   -3.99341106       2.05356407       4.37228584    
 O   -2.55371141      -5.32744074       6.40092039    
 H   -3.18226981      -5.94069386       6.77254105    
 H   -2.83278275      -4.43655348       6.67472315    
 O  -0.721843362      -2.13468480       8.49478340    
 H  -0.378982455      -2.98836422       8.19297314    
 H  -0.197540283      -1.45471215       8.04410934    
 O    6.61837980E-02  -4.45155907       7.23462200    
 H  -0.745090663      -4.92084742       7.00521278    
 H   0.515723348      -4.29171181       6.39607191    
 O   0.315108091      -1.26549160       4.45976067    
 H  -0.644228995      -1.37103188       4.39412975    
 H   0.691083193      -2.15428233       4.43222857    
 O   -5.17708635     -0.929965734       7.37857771    
 H   -6.09560013      -1.08823824       7.57744598    
 H   -4.80533028     -0.439162523       8.13596630    
 O  -0.689487338       2.24512982       9.67238235    
 H   -1.54484463       2.56090260       9.34783649    
 H  -0.854508996       1.35250366       9.99187851    
 O   -3.97180367      0.456611961       5.20647573    
 H   -4.53081799       3.62727493E-02   5.87010765    
 H   -3.13816476      0.672001600       5.65851974    
 O   -1.59539652      -4.44738770       3.86607957    
 H   -1.98642111      -4.88831806       4.63163710    
 H   -1.97937942      -3.56067657       3.84942937    
 O    1.30579019       1.37560952       4.05688810    
 H   0.982569754      0.465949625       4.02210808    
 H   0.530758262       1.94836414       3.98119473    
 O   0.736614287       3.58035588       7.70064449    
 H    1.40612435       2.99145079       7.33578968    
 H   0.323530853       3.11402893       8.44175053    
 O   0.627197027     -0.285160422       7.02850771    
 H   0.575146914     -0.663733065       6.13742781    
 H    1.34274840      0.361200333       7.01646137    
 O   -1.54241562     -0.438505352       10.4926920    
 H   -1.32420135     -0.771503329       11.3600636    
 H   -1.23531139      -1.10386133       9.85551739    
 O   -2.43640471      -1.79986727       4.46653175    
 H   -3.01055908      -1.02718163       4.42549086    
 H   -2.57656956      -2.16116071       5.35415745    
 O    1.00346076      -3.99167824       4.53193617    
 H   0.112377420      -4.22428894       4.21373367    
 H    1.62098801      -4.52533436       4.03876829    
 O   -3.05894375       2.71601796       8.25845337    
 H   -2.52310729       2.17986822       7.65400887    
 H   -3.33879423       3.47992635       7.73911953    
 O   -1.63384891       1.22980857       6.37847471    
 H   -1.31020153       1.84456563       5.70647192    
 H  -0.870234489      0.749383152       6.71723986    
 O    2.50441217       1.71821058       6.46710920    
 H    2.15101147       1.64770210       5.56147766    
 H    3.45387340       1.75571752       6.39270544    
 O   -4.03473711      0.403175712       9.38479328    
 H   -3.82131600       1.29287159       9.06606865    
 H   -3.24945593       9.21857283E-02   9.84980869    
 O   -3.03979468      -2.71047688       7.05135584    
 H   -2.30316877      -2.42648482       7.61085796    
 H   -3.80079842      -2.14279890       7.22448111    
 O  -0.660661221       5.13491774       6.02127123    
 H  -0.163104996       4.61100245       6.67671537    
 H  -0.253965944       5.99639463       5.99367428    
          69
 Energy    -248.50969222403779     
  O     -4.72902751      2.22534522     -4.00130317
  H     -5.32661695      2.70737676     -3.43461138
  H     -0.51998190      1.25804887     -8.65038572
  O     -3.23225017      3.09946202     -6.25939917
  H     -5.24629517      1.50818349     -4.40666275
  H      0.97424519     -2.46286984     -5.59242897
  O     -1.86128373      1.74010055     -9.74017287
  H     -2.28133301      3.02146356     -6.07481869
  H      0.24118815     -3.33697378     -6.62380884
  O     -7.21973738     -0.12974220     -7.76128549
  H     -3.71546961      2.95179467     -5.43833508
  H     -0.25736462      2.26276534     -5.02859206
  O     -5.97998467      0.14122389     -5.24919083
  H     -2.38776220      0.94387660     -9.87873982
  H     -0.22910107      2.14201629     -6.56917058
  O     -2.44748547      0.97606989     -2.77295719
  H     -2.49813545      2.43071634     -9.52372250
  H     -6.15996672     -1.69463670     -8.17107200
  O      0.07328504     -1.30701862     -4.20912986
  H     -6.71936085      0.43845671     -8.37401072
  H     -4.83664623     -1.85925193     -8.93648717
  O     -3.53891115     -0.58168511     -9.51130111
  H     -8.12776953     -0.10967397     -8.05281781
  H     -4.77479861     -3.46887909     -7.30018320
  O      1.35944595     -1.42228076     -8.74438383
  H     -6.53705515      0.01421605     -6.02705349
  H     -4.75940552     -4.89404795     -6.69963322
  O     -5.69189181      1.29039454     -9.52272423
  H     -5.62264266     -0.71816043     -4.96727324
  H     -0.77115537      1.31390356     -3.11392547
  O     -3.97509380      3.51069634     -8.86098616
  H     -3.22769953      1.37271201     -3.17587651
  H      0.59249766      1.89919485     -2.67420762
  O      0.08449427      0.95345337     -7.95569371
  H     -2.57113877      0.01943070     -2.79229990
  H     -2.31056317     -0.40654206     -6.43017989
  O      1.08990272     -2.90995771     -6.43876100
  H     -0.46247597     -1.11961914     -4.99969285
  H     -0.86861208     -0.21867822     -6.94724894
  O     -0.58945569      2.66423653     -5.83926943
  H      0.32321784     -0.44055663     -3.86575388
  H     -1.45973921     -2.80145141     -8.83027855
  O     -5.48660294     -2.34151569     -8.41010498
  H     -3.56203889     -0.24510974     -8.60025661
  H     -0.41987627     -1.88732123     -9.47877514
  O     -4.34334835     -4.03812099     -6.63761135
  H     -2.76657839     -1.16217163     -9.60102123
  H     -4.52494970      0.25529682     -6.38773424
  O      0.16576149      1.40286463     -3.36776147
  H      2.16802045     -1.65434906     -9.19375948
  H     -3.51666604      1.36631696     -6.77665085
  O     -1.42273925     -0.78318439     -6.39159255
  H      1.33798834     -1.94612595     -7.92485989
  H     -4.54370664     -2.82855638     -5.21648886
  O     -1.32865760     -2.19342148     -9.57086436
  H     -5.20714981      2.09798149     -9.31239200
  H     -3.86489991     -2.08893795     -4.03768685
  O     -3.74970705      0.44144712     -6.92845717
  H     -5.01759490      0.64362647     -9.76807435
  H     -1.45480120     -1.79317417     -3.36005901
  O     -4.66679077     -2.12060791     -4.57263388
  H     -4.02933271      4.43413495     -9.09509675
  H     -2.21369058     -2.45498480     -2.19146953
  O     -2.33103048     -1.89254173     -2.95384942
  H     -3.73479305      3.47567545     -7.91972205
  H     -2.50245387     -3.76149514     -6.89544071
  O     -1.60683646     -3.45540055     -7.07633144
  H      0.64009386      0.25496461     -8.32192945
  H     -1.58309183     -2.51487521     -6.83445472
          69
 Energy    -248.50950760393096     
  O     11.82772783     10.86901938    -14.10082640
  H     12.37240845     10.62016511    -14.86023029
  H     15.85910342      6.68355081    -15.53526210
  O     16.12062157      6.90475323    -13.76948870
  H     12.22276840     11.66335880    -13.72399735
  H     19.03846313      8.08140956    -14.15540578
  O     17.08977150     10.12346554    -10.75670700
  H     15.56116393      6.72588393    -13.00160446
  H     18.59088683      8.83540555    -15.43290657
  O     16.85903322     11.76808311    -14.56485593
  H     17.03449315      6.71057830    -13.53019292
  H     14.69917589     13.48068165    -15.96495543
  O     12.93047029      7.22223895    -16.44813638
  H     17.75763848     10.45905626    -11.36815992
  H     15.63285516     13.03668498    -14.82926312
  O     15.32813227      8.74400229     -8.86114894
  H     16.25431871     10.51212093    -11.05231518
  H     14.65847746      9.60084782    -14.66803966
  O     14.37337365      6.57457448    -11.65044217
  H     16.35524082     10.96186461    -14.37055780
  H     15.65742390      8.66452632    -13.91078271
  O     14.63569400     10.99032762    -11.75288109
  H     17.63174816     11.72401285    -13.99291337
  H     11.26843710      9.60517344    -13.07728989
  O     16.00967969     10.78089956    -17.09267359
  H     12.76585209      7.03370483    -15.50632729
  H     10.05762533      8.92415245    -12.39363047
  O     15.95369172      6.15126469     -9.32968806
  H     12.24820437      6.77366945    -16.94029782
  H     17.42193388      6.93683060    -10.24110283
  O     17.69924848      8.49890490    -17.10219625
  H     14.48991161      8.85383648     -9.33094842
  H     17.72443652      8.36820476    -10.74330665
  O     15.73232171      6.75481758    -16.49317994
  H     15.97058455      9.29726710     -9.32156500
  H     11.90098081      7.46896573    -13.38084011
  O     19.03170190      8.94732969    -14.58280647
  H     14.87110821      6.23513242    -10.89741079
  H     13.09835682      6.53766980    -13.12758235
  O     14.85829167     13.58727259    -15.02894740
  H     13.97249510      7.40161570    -11.34552326
  H     18.98669149     10.24216435    -13.43764222
  O     15.31008886      9.56315024    -13.95596151
  H     14.17273449     11.78127343    -12.04962141
  H     19.80189438     11.29789460    -12.65470794
  O     11.00361635      8.86824595    -12.49647656
  H     14.83426908     10.46421631    -12.54569817
  H     18.63686277      6.86123762    -12.22840302
  O     18.05311676      7.45933297    -10.74940348
  H     16.57907011     10.01121826    -17.22335482
  H     19.38335559      5.76769719    -13.03716230
  O     12.46921627      6.81262278    -13.80395351
  H     16.41283651     11.25209769    -16.35256585
  H     13.63827961      9.70743072    -11.03391684
  O     18.91625239     10.97398503    -12.79672533
  H     15.71795300      7.05374673     -9.04504465
  H     12.33630411      8.89001503    -11.17453996
  O     18.83059923      6.53818467    -13.12864455
  H     15.94626925      5.60573718     -8.54821272
  H     12.84468055     13.91589886    -12.59300919
  O     13.17202195      8.92821402    -10.69428706
  H     16.99687309      7.84551354    -16.93233565
  H     13.76925146     13.34316071    -13.69269584
  O     13.19626044     13.10200393    -12.94379562
  H     18.20179480      8.17208395    -17.84417829
  H     13.33764887      9.03814300    -16.36441942
  O     13.56015329      9.93835418    -16.09373212
  H     14.78181107      6.85144151    -16.61762478
  H     14.34429181     10.22739347    -16.58355795
          69
 Energy    -248.50941262354070     
  O     -0.81096988     -2.11902696     -1.67571299
  H     -1.06496745     -2.11650012     -2.59403067
  H     -3.78425462     -5.96811221      0.16027094
  O     -3.54896656     -0.45890208      6.20079892
  H     -1.62199871     -2.27354543     -1.15530911
  H     -0.20480424     -5.67837890      0.43461478
  O      1.97936863     -0.36385856      1.82802744
  H     -2.67277984     -0.85781440      6.28944938
  H     -0.32252855     -6.46743485      1.75000850
  O     -2.11375181     -0.70881301      2.09591012
  H     -4.17970344     -1.15760499      6.41534661
  H      2.60010762     -3.57925240      4.67472846
  O      0.79778940     -3.50712276      7.43259697
  H      1.27547335     -0.22259272      1.16870208
  H      1.71197616     -2.31647878      4.72890666
  O     -5.19663083     -2.78494427      6.43584749
  H      2.54595944      0.40227303      1.79735463
  H     -0.28659391     -4.45203650      2.96334244
  O     -1.13486115     -1.90161706      6.15565393
  H     -1.41391590     -0.89759149      2.72982765
  H     -1.63922911     -3.69664569      2.79161649
  O     -0.48795429     -5.65822906      6.00308893
  H     -2.82528390     -0.28242162      2.59120731
  H     -3.49263121     -4.62902684      2.31735813
  O     -5.35938821     -2.26523892      3.60233978
  H      1.29757785     -3.48180505      8.24374972
  H     -4.10653878     -3.44052804      3.14411414
  O     -0.12951248     -0.07926712      0.17854631
  H      1.41924333     -3.30477955      6.70928627
  H      3.91749443     -5.30314574      3.33511714
  O      0.47561424     -5.99612584      3.44552058
  H     -5.74164264     -3.21913015      7.08668593
  H      3.01985377     -4.23967600      2.65691738
  O     -3.23732217     -5.37615986      0.66939224
  H     -4.41621125     -3.34967588      6.30248522
  H      2.04735344     -3.41378235      0.83297779
  O     -0.70789863     -6.38130763      0.86830789
  H     -0.50756492     -2.37019717      6.72148948
  H      2.60680315     -2.15379369      1.52621902
  O      2.27162155     -2.88874159      5.26464575
  H     -0.64838619     -1.62628370      5.36711673
  H     -0.00940928     -2.22614449      3.36194100
  O     -0.68414079     -3.62110933      2.66666804
  H      0.00339968     -5.04509868      6.56230620
  H      0.86975435     -0.94416696      3.16725348
  O     -3.37355987     -4.07257639      3.09634113
  H     -1.38918326     -5.31278567      5.98552224
  H     -0.03722227     -3.71110662      0.92419225
  O      3.07533037     -4.86176006      3.40566314
  H     -5.05875359     -1.35162579      3.52711819
  H      0.08315050     -3.34533178     -0.58303051
  O      2.76351712     -3.09621870      1.40132213
  H     -5.48282886     -2.42301284      4.54706137
  H     -4.58473526      1.19157024      3.69579173
  O      0.25500325     -1.38205714      3.77007632
  H     -0.27904660     -0.68892085     -0.55420258
  H     -3.91592374      0.13306214      4.60696914
  O      0.44389996     -3.91415724      0.10713328
  H     -0.90408053     -0.15860915      0.75138705
  H     -2.26666114     -3.34633426      5.88444211
  O     -4.15257840      0.34183855      3.68531470
  H      0.16062809     -5.99284908      4.36267423
  H     -3.04488851     -4.20005402      4.84181614
  O     -2.86776156     -4.09944873      5.78976472
  H      1.40395234     -5.73113156      3.45569689
  H     -3.03403159     -3.47505869      0.26678136
  O     -2.85832092     -2.56509484      0.00261042
  H     -2.35817051     -5.78930825      0.73143216
  H     -2.72028672     -2.04447265      0.80401613
          69
 Energy    -248.50935065305413     
  O     16.18139153     11.31555652    -12.37562814
  H     16.85422593     10.63847107    -12.23228965
  H      9.38800806      8.20698501     -9.58445901
  O     18.39830527      7.69642589     -8.10778443
  H     15.96406136     11.67187999    -11.50706388
  H     12.89248498      7.56387767    -14.08050248
  O     15.03296353      5.26247038    -11.35591041
  H     17.95627875      8.53449314     -8.29671096
  H     12.66017144      7.72343774    -12.56768798
  O     11.74034985      6.17829131     -9.88131463
  H     18.90065002      7.48689992     -8.90544700
  H     14.92237847      8.05406922    -14.34256740
  O     17.64321459      4.98057964    -10.36226689
  H     14.21011901      4.94077841    -11.74163439
  H     14.23189649      9.32832297    -14.85058821
  O     16.82932830      5.52595934     -7.65516899
  H     14.79823362      5.62782371    -10.48967012
  H     18.82244321      6.24242779    -10.65202622
  O     17.81500648      9.06878049    -11.68265288
  H     12.57440715      6.13809642     -9.39639947
  H     20.29106266      6.62799354    -10.94474614
  O     15.68846571     12.33633951     -9.69074833
  H     11.85914721      5.61050950    -10.65144193
  H     14.36396399      7.21673456     -8.72391188
  O     11.43435795     10.99310946     -9.76545097
  H     17.40593953      5.00497204     -9.42709198
  H     15.13473391      5.93443187     -8.32453540
  O     17.02610603      9.90142995     -9.16948459
  H     16.80324609      4.94390652    -10.83814257
  H     11.44486780     10.49609932    -12.72476626
  O     13.57244521      8.86925350    -11.43099172
  H     17.08745020      5.08998940     -6.84750262
  H     12.77553036     11.20482680    -13.16081110
  O     10.20556880      8.43651403    -10.02009379
  H     17.38224247      6.32424114     -7.73284094
  H     10.82601676      8.40366426    -13.18373142
  O     12.32943999      7.26159767    -13.35321574
  H     17.10648325      8.53841223    -12.08206426
  H     10.12858788      8.88058211    -11.90208550
  O     14.25808591      8.37108829    -14.97006144
  H     18.50293559      8.44112414    -11.43072941
  H     12.68054300     11.43986023     -8.72864650
  O     19.44791719      6.98894339    -10.68418957
  H     15.87552505     13.26310955     -9.55781961
  H     13.13391391     11.93717991     -7.33198015
  O     14.36629654      6.25269318     -8.81445729
  H     14.88379116     12.14075858     -9.18574168
  H     12.33377592      5.61333124    -12.78000301
  O     12.15369822     11.09203207    -12.43244205
  H     11.62934385     11.20833443    -10.68872207
  H     11.95413501      4.11330768    -12.82672656
  O     10.27958372      9.11621142    -12.82634469
  H     11.00693976     10.12765479     -9.77715744
  H     14.97473929     11.23633640    -13.64141551
  O     13.45974516     11.61163342     -8.16634225
  H     16.73048338     10.81487160     -9.25621591
  H     14.46968319     11.83450218    -14.97393512
  O     12.40884566      4.76730364    -12.30311868
  H     17.31190460      9.61554277    -10.05099031
  H     14.02266060      9.80405187     -8.40526928
  O     14.26366450     11.18633465    -14.30489213
  H     13.13459279      9.68934801    -11.69070695
  H     15.37543544      9.22994708     -8.88277722
  O     14.44083875      9.00989482     -8.75484682
  H     13.77471525      8.92693874    -10.49085082
  H     15.57194658      6.75217699    -12.30844137
  O     15.71000318      7.64542285    -12.64779768
  H     10.77275700      7.64832153     -9.96510664
  H     14.99779362      8.17925877    -12.26145063
          69
 Energy    -248.50928280574024     
  O     -4.26889116      1.34126425      1.47387293
  H     -4.19310512      0.94594670      2.35931121
  H     -1.63558521     -5.73655051     -0.45121073
  O     -2.47391638     -2.47033138      7.36233184
  H     -4.65841274      2.20369977      1.59307682
  H     -1.40902260     -0.81006322      1.13131394
  O     -1.18970141      0.09142176      4.04245977
  H     -2.15973679     -2.37261239      8.25760907
  H     -1.74555646     -2.22107109      1.72615374
  O     -3.93025531      0.05175791      3.86164132
  H     -1.70819071     -2.32273761      6.78134951
  H     -2.29301190     -4.02122817      2.65776698
  O      2.10608883     -2.45177055      4.62843822
  H     -1.18859699     -0.48751019      3.26334069
  H     -3.56953247     -3.33596898      2.07999875
  O     -3.45515567     -4.66251559      5.82571143
  H     -0.53973194      0.78428186      3.85884542
  H      1.81828126     -1.94501875      1.07256072
  O     -0.45676732     -2.08652419      5.55260672
  H     -2.97445517      0.14387458      3.98611599
  H      0.55774840     -1.94218706      1.94077065
  O     -5.80943314     -3.65812315      4.95540535
  H     -4.29196633     -0.26675904      4.70147351
  H     -5.34258380     -2.81304784      3.38652829
  O     -1.95046833      0.58233891      0.03044864
  H      1.98517895     -2.30744670      3.67643574
  H     -4.54627901     -1.52240816      3.06527779
  O      0.61218063     -4.91755091      2.14430729
  H      2.72193447     -3.17736089      4.70405566
  H      0.95478301     -1.70775424     -0.98313148
  O     -0.52131689     -2.54745190     -1.42782323
  H     -3.15368302     -4.01859657      6.47939028
  H      2.38143470     -1.30566185     -1.41892482
  O     -1.22448021     -4.95323547     -0.09395096
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  H      0.78815455      1.64042533      2.20967299
  O     -1.17006275     -1.45225639      1.81139428
  H     -0.71920684     -1.26618218      5.11020835
  H      1.55314883      2.21715361      3.41194043
  O     -2.74074431     -3.76721914      1.83600045
  H      0.48515365     -2.21092118      5.36947421
  H     -0.17545298      1.11228080      0.24056711
  O      1.48121418     -2.23649103      1.92699107
  H     -4.99077699     -4.09957870      5.24679275
  H      1.18432259      0.41337961      0.08446083
  O     -4.92461165     -2.31996066      2.66918438
  H     -6.53421788     -4.21805126      5.21887162
  H     -3.80807737     -1.31933947     -1.09544111
  O      1.76823733     -1.25904379     -0.69039542
  H     -2.70364818      0.94446408      0.51476530
  H     -3.48932782     -1.19286044     -2.60138289
  O      0.71340363      1.84457142      3.15703436
  H     -2.30544160      0.05548714     -0.69665897
  H     -5.25026858     -2.01003459      5.82571709
  O      0.75802069      1.18042414      0.48302193
  H      0.11661543     -5.06269827      1.32994532
  H     -4.00185978     -1.57688204      6.61319706
  O     -3.08215885     -1.28740513     -1.74379629
  H      1.02968013     -4.05185640      2.03932238
  H     -0.97098780     -3.59377626      4.56105991
  O     -4.76329813     -1.23410464      6.12854458
  H     -0.69394608     -3.40762647     -1.02453744
  H     -0.54579819     -4.67407897      3.51822750
  O     -1.27320809     -4.37845347      4.08536667
  H     -1.38638330     -2.15101447     -1.58307722
  H     -4.90949116     -0.19081261      0.49937363
  O     -5.01909982     -1.08377508      0.14883857
  H     -1.85630150     -4.57091031      0.54001475
  H     -5.12947469     -1.64222655      0.92896238
          69
 Energy    -248.50920583791199     
  O     -2.84067723     -0.12299594     13.26312909
  H     -3.09718039     -0.61195582     12.48376049
  H      1.63289655      3.20782161     16.68974467
  O     -4.07822303      2.34470058     15.77946041
  H     -3.16108653      0.78294304     13.13337318
  H     -3.42303111     -0.52783184     15.05612630
  O     -0.47029735     -2.14972733     18.80407416
  H     -3.11771401      2.38224725     15.63091406
  H     -4.01339184      0.48004001     16.03411091
  O     -0.70037365      1.08867110     17.49216038
  H     -4.44222242      2.48731780     14.90195456
  H     -1.15561914      1.91331581     16.06544860
  O     -3.41007839      3.11877989     18.43980778
  H      0.02687106     -1.93796539     18.00106979
  H     -0.74692664      2.24893725     14.60558648
  O      2.03114734      1.32125927     19.51817349
  H     -1.40328936     -2.14521847     18.55715359
  H     -1.77879535      0.41538353     20.11305360
  O     -0.09352493     -0.25715278     20.70568229
  H     -0.21750628      0.28923174     17.24782031
  H     -2.89222372     -0.20264646     19.22109447
  O      0.58381858      4.38332250     12.09619797
  H     -1.36086813      0.86730653     18.15759389
  H     -1.84848824      5.80823870     18.99833277
  O     -3.25207392     -1.75424840     18.25093282
  H     -3.21059080      2.29394053     18.89994227
  H     -2.28396819      4.44221021     18.41875761
  O      0.81132292      2.01400586     13.62535862
  H     -3.79719041      2.88073978     17.58788007
  H      0.52063222     -0.98792226     15.67318956
  O     -2.16258085      4.57344126     12.90481673
  H      1.63361708      2.16377444     19.25897593
  H      1.66535215     -0.61640454     16.67863237
  O      2.15522015      2.92087570     15.92624817
  H      1.33039968      0.81430902     19.94524751
  H      0.49903018      5.39908907     14.93998474
  O     -3.77355831     -0.45165677     15.95037381
  H      0.08298955     -0.65308141     21.55544975
  H      1.82192928      4.60684161     15.00947053
  O     -1.40068410      2.43693584     15.28796229
  H     -0.16719848     -0.98873921     20.06537803
  H     -1.27242746      4.20554627     15.46976984
  O     -2.53602538      0.63324203     19.55301921
  H      1.06761985      4.76402509     11.36851401
  H     -1.41817840      5.35985545     16.47394330
  O     -1.60965601      5.14313456     18.35851775
  H      0.92187673      4.80291126     12.90903943
  H     -3.27680680      3.20263457     12.87956305
  O      0.81246833     -1.05962098     16.59543116
  H     -3.42995334     -1.33046868     17.39177814
  H     -4.57452727      2.71810920     12.20995707
  O      1.36601132      5.30184005     14.51973967
  H     -3.94852648     -2.39038731     18.39021388
  H      0.14015691      2.56784003     17.99891324
  O     -1.24967316      5.17321983     15.54396517
  H      0.77624665      2.73107081     12.98145552
  H     -0.04685596      4.06924205     18.32801860
  O     -3.91705634      2.46980363     12.85503265
  H      1.32618579      2.33059429     14.38229290
  H      4.01502736      0.22565219     17.26386833
  O      0.62061454      3.38382954     18.21517339
  H     -2.00336650      4.96402526     13.77376244
  H      2.78708575      0.76703193     18.03359157
  O      3.11474898      0.51932780     17.14988922
  H     -1.29339952      4.51627969     12.48954433
  H     -1.01660675     -0.47521182     13.81683765
  O     -0.08914972     -0.57794608     14.05643319
  H      2.62157569      2.13058546     16.22347663
  H      0.33480636      0.25047950     13.79061929
          69
 Energy    -248.50903899470916     
  O     16.29473897      3.64213835    -13.71038073
  H     16.65850491      2.77717854    -13.88030611
  H     12.94491224     10.37541224    -13.10853680
  O     12.62853572      7.82591239    -14.81814918
  H     15.70241698      3.84518230    -14.45849886
  H     15.22129523      7.60801100    -12.93602353
  O     10.38664786      8.19565001    -11.42210203
  H     12.47916949      6.88072539    -14.67422146
  H     14.29972862      7.91741356    -14.15334893
  O     14.54050230      4.26801555    -15.64644412
  H     12.82650551      7.98233194    -15.74999449
  H     18.60830398      7.01405341    -10.41989561
  O     17.91743151     10.49991384    -15.54335748
  H     10.83536530      8.05717177    -10.57930454
  H     18.01722147      6.82415330    -11.83822470
  O     17.98421601      5.92522626    -13.30175000
  H     10.92110440      8.84269982    -11.90095046
  H     13.15622708      8.76321181    -18.19160339
  O     12.03050155      7.51409163     -9.15480424
  H     13.67212352      4.52252500    -15.31743572
  H     14.14603047      9.27225026    -17.11686204
  O     17.32808713      7.71534108    -15.35988025
  H     14.85273467      4.98790366    -16.21584440
  H     14.82540359     10.79370323    -15.61770252
  O     10.04902574      5.70031776    -12.46114129
  H     18.68009519     10.95704431    -15.89068487
  H     16.11500970     10.51420161    -16.38297918
  O     11.94496426      5.09120838    -10.39157657
  H     17.75180173     10.86926861    -14.66194252
  H     12.93259465      4.92676254    -13.40380729
  O     14.11515598      4.44760196    -12.08057231
  H     17.43702028      5.14233742    -13.43858399
  H     11.44947839      5.28934680    -13.63431707
  O     12.29816433      9.71981785    -12.81754370
  H     17.88832821      6.47443954    -14.09131883
  H     14.85663388      7.11252567    -17.27585006
  O     15.15672100      8.11699823    -13.75218143
  H     12.05847026      6.62040140     -9.54172953
  H     16.22128941      6.83244826    -16.61318776
  O     17.91599241      7.31548151    -11.00156869
  H     11.76104477      7.40988283     -8.24614686
  H     15.44578992     11.32987720    -13.45968594
  O     13.57450698      8.52512759    -17.36839255
  H     17.68726896      8.59735566    -15.50033456
  H     14.87274011      9.92169359    -13.69668261
  O     15.15898271     10.55318074    -16.49276596
  H     16.53989754      7.84369273    -14.80571225
  H     16.13669436      6.88572972    -11.04391319
  O     12.29855642      5.19644333    -14.08477340
  H     10.11353162      6.62220660    -12.15411637
  H     14.72922093      7.55874975    -10.93230822
  O     15.49136720      6.41234104    -17.08611976
  H      9.11964062      5.49818236    -12.52806015
  H     17.12551541     10.96958503    -12.28438324
  O     14.65296564     10.86687690    -13.74869186
  H     11.23658565      5.16302826    -11.04331100
  H     17.60508119     12.40184903    -12.60983992
  O     15.20327003      6.78655536    -11.26971701
  H     12.69706700      4.71247696    -10.86460902
  H     17.12962593      9.04594248    -10.99327637
  O     17.30898702     11.59019772    -13.01371616
  H     14.83535370      4.00813034    -12.54664610
  H     15.74451503      9.71340058    -10.77764611
  O     16.65963793      9.88868160    -11.02752479
  H     14.49184537      5.27974909    -11.75118019
  H     13.36497664      9.33019283    -11.31086739
  O     13.89130327      9.08860093    -10.53638368
  H     12.29335582      9.04565214    -13.51483339
  H     13.28371059      8.64832019     -9.92608765
          69
 Energy    -248.50893630905057     
  O     -6.75786571      3.60051488     -2.19617928
  H     -7.40866276      4.03216020     -2.74284314
  H     -4.83484084      0.14585909      3.46575323
  O     -2.75516824      1.08771330     -3.49378805
  H     -7.03089592      2.66823721     -2.11371025
  H     -1.30409851      0.65768737      2.73331369
  O     -6.24253880      3.58617369      0.56033701
  H     -3.15528225      1.94455593     -3.24968304
  H     -0.03954151      1.28962636      2.12621279
  O     -4.58740481     -1.71658170      3.56487984
  H     -2.66385562      1.09143360     -4.44273258
  H     -2.95900721      2.00261567      0.33162569
  O     -1.80773982     -1.76059872     -0.20593729
  H     -6.40939879      3.78916439     -0.36822184
  H     -1.64441321      2.15645462      1.14363010
  O     -4.79165244     -0.15054250     -1.98101657
  H     -5.60164878      4.21636136      0.91463870
  H      0.76402694     -1.25323503      1.24818132
  O     -5.90044063     -2.04266054      1.23622600
  H     -4.90495375     -2.33719887      4.21441364
  H     -0.31079936     -1.84338531      2.16899803
  O     -4.21739267     -2.69966219     -0.99086507
  H     -5.08894376     -1.87966449      2.74465663
  H      1.90690912      0.92649597      0.31505767
  O     -0.89983773      0.58199814     -1.42369354
  H     -1.02195587     -2.08328619      0.25739389
  H      0.49964723      0.55897290     -0.19073132
  O     -2.07738617     -0.97791745      2.55264736
  H     -1.53677821     -0.96980908     -0.69158252
  H     -6.48138887      0.53148404     -2.04873865
  O     -7.50801891      1.77763915      2.26697549
  H     -4.60581267     -1.07159281     -1.76126934
  H     -7.65630757      0.57026245     -1.05894195
  O     -4.93228571      1.05562287      3.16405513
  H     -4.08129439      0.17974936     -2.54490070
  H     -2.25414491      2.75376177      3.29394169
  O     -0.82838107      1.49815080      2.63931599
  H     -6.61610302     -1.45923161      0.95502590
  H     -3.76114036      2.46928028      3.43039395
  O     -2.04209509      2.31108837      0.27848902
  H     -5.40578130     -2.29306051      0.44792182
  H     -7.89760299      0.45176589      1.21271684
  O      0.34404799     -2.08572671      1.50119185
  H     -3.32762983     -2.43846472     -0.69336992
  H     -8.94371972     -0.58651755      0.74903961
  O      1.07230673      0.55465591      0.59240442
  H     -4.13925516     -3.57188856     -1.36832620
  H     -5.20426553      2.07722467      0.38177345
  O     -7.32063604      0.97733640     -1.86639232
  H     -1.28761077      1.24695125     -0.82880692
  H     -4.72094152      0.80343151     -0.38300833
  O     -3.11368278      3.18413924      3.34806104
  H     -1.36794502      0.69335365     -2.25879356
  H     -3.29181702      5.10568883      0.08301011
  O     -8.05403301     -0.28057355      0.58998990
  H     -2.88857236     -1.28159081      2.97697107
  H     -2.37737158      3.98264590     -0.38477227
  O     -4.59337556      1.32736574      0.41625175
  H     -2.17953494     -1.14576258      1.60697850
  H     -4.91215565      3.46833015     -2.65601263
  O     -2.81044328      4.79309116     -0.69079104
  H     -6.72470731      1.54292962      2.78189279
  H     -3.55104712      3.95395366     -2.11200685
  O     -3.96049911      3.37193000     -2.76887814
  H     -7.22909624      2.51662898      1.70800149
  H     -4.33577192      5.91172168      2.32422526
  O     -4.24092584      5.13204939      1.78309772
  H     -4.78288055      1.04120208      2.20507708
  H     -3.80106526      4.46486436      2.33905758
          69
 Ord_Energy   -248.508850    
 O  -0.930028081       4.61709404      -2.31400156    
 H   -1.08291137       5.18244791      -3.08134890    
 H  -0.680206597       3.75704932      -2.67609215    
 O   -4.49182558       3.84538984      -6.83802509    
 H   -4.64566612       2.89310551      -6.69951534    
 H   -5.07450581       4.11780071      -7.54140997    
 O   -5.26632595       4.47371912      -1.66172838    
 H   -4.48382568       4.58267498      -1.10943186    
 H   -4.97386551       4.66550255      -2.56381202    
 O   -5.46110916      0.717009842      0.146163478    
 H   -4.62124634       1.18647575       4.52848002E-02
 H   -6.08492947       1.19705606     -0.410681158    
 O   -3.01728630       1.91369557     -0.526316464    
 H   -2.85013485       2.81662965     -0.234259456    
 H   -3.19270086       1.97810924      -1.47804582    
 O   -2.10228825     -0.679492891     -0.666550040    
 H   -2.31871438      0.256616741     -0.544942319    
 H   -2.87941861      -1.18331563     -0.395193309    
 O   -1.96207047      -1.15665388      -3.45119834    
 H   -2.10508800     -0.958770156      -2.51582551    
 H   -1.01080108      -1.03552413      -3.57322097    
 O   -4.61793613      -1.82686126     -0.131982148    
 H   -5.00809765      -2.41288233      0.510098100    
 H   -5.00645018     -0.944369495       1.45629197E-02
 O  -0.642454863       2.12624216      -3.61536717    
 H  -0.529789805       2.12908912      -4.57505989    
 H   -1.59404135       2.02219319      -3.46502805    
 O   -2.71968102       4.67462873     -0.279860020    
 H   -2.42989540       5.30086231      0.377603054    
 H   -2.05586195       4.69053030     -0.993478000    
 O    1.61989367       7.02841580E-02  -5.97842836    
 H    2.56855798      -1.81934994E-03  -6.04518127    
 H    1.39814758     -0.154021665      -5.05954933    
 O   -4.86772251       1.23556864      -6.34252119    
 H   -5.33576775       1.05573428      -5.51481581    
 H   -4.07296753      0.689667344      -6.31178427    
 O   0.647323251      -1.08725190     -0.755947649    
 H  -0.309712738     -0.991299689     -0.625708222    
 H    1.03873205      -1.03197145      0.111943871    
 O   -2.51161122     -0.326500267      -6.03379774    
 H   -2.38362241     -0.576545954      -5.10487223    
 H   -2.41286302      -1.12933278      -6.54240227    
 O   -3.37326908       2.12990928      -3.25244665    
 H   -4.13528919       1.58505905      -3.48512816    
 H   -3.57454705       3.02934194      -3.54225659    
 O   -4.10140181       4.69493532      -4.19149590    
 H   -3.30519438       5.23576736      -4.26878595    
 H   -4.35260201       4.44986582      -5.09179068    
 O  -0.564815879       1.70781565      -6.39504814    
 H   0.264003724       1.20744514      -6.39682150    
 H   -1.27297676       1.05236828      -6.34720516    
 O   0.709648967     -0.287393153      -3.39445019    
 H   0.846415818     -0.590322912      -2.48635602    
 H   0.304009199      0.592324913      -3.34492326    
 O   -6.91196918       2.30306482      -1.69985235    
 H   -7.80953741       2.62072182      -1.64592063    
 H   -6.33723640       3.08848882      -1.66076648    
 O   -4.76504087      -1.69654608      -2.97419333    
 H   -3.83939981      -1.70575655      -3.24347091    
 H   -4.76763010      -1.85432160      -2.02148271    
 O   -1.63952279       6.00467539      -4.66663408    
 H   -1.41747701       6.87455750      -4.98653316    
 H   -1.55377126       5.39681673      -5.42415571    
 O   -5.73776722      0.747690320      -3.76390553    
 H   -6.22957230       1.20043206      -3.06909966    
 H   -5.51552200     -0.146167636      -3.46185708    
 O   -1.66026771       4.26100063      -6.72212791    
 H   -1.21959734       3.40098047      -6.70783567    
 H   -2.59671569       4.08757019      -6.87946033    
          69
 Energy    -248.50857634659613     
  O      0.54112598     11.69816925      1.70949576
  H      0.36386587     12.39948054      2.35666974
  H      4.02237194      9.18618512      1.46829086
  O      0.86809446     15.36973019     -0.41513459
  H      0.42400120     12.07372566      0.81968281
  H     -0.82059054      8.65578488      0.63281698
  O     -2.26040347     11.89425501     -1.68340060
  H      0.61193697     14.43711327     -0.48105079
  H     -2.02555945      7.72192669      0.89040099
  O      3.95027404     12.98864702     -1.36652457
  H      1.50957956     15.51896579     -1.12552854
  H      3.13507279      8.74362288     -1.82182655
  O      4.89620221     10.69596976      1.40919267
  H     -2.48906117     11.75543173     -0.75592846
  H      3.89544560      8.38470234     -0.53428678
  O      5.68828880     10.79621451     -1.34707243
  H     -2.04515140     11.01811770     -2.03954256
  H     -0.07422775     14.09090148     -3.83964324
  O      0.90755865      9.14422836      0.77037317
  H      3.66013287     13.00260065     -0.44414022
  H      0.70068898     14.12198693     -5.17554552
  O      0.24282916     12.69732564     -0.77447658
  H      4.64336519     12.31786008     -1.42614281
  H      1.17105781      9.28467675     -1.10859857
  O     -1.64344974     14.23180180     -3.07534111
  H      5.31375869     10.76666743      0.54172109
  H      1.51656703     10.12887831     -2.37907050
  O      3.12416697     12.89623000      1.34159320
  H      4.38010018     11.50470255      1.51993790
  H     -0.56633400      9.19624193     -2.38484333
  O     -2.32020280     11.30295232      1.07881862
  H      6.51960938     10.59033185     -1.76585166
  H     -1.72498941      8.93377149     -1.41120777
  O      3.52507069      8.35420959      1.37055926
  H      5.11086035     10.02112675     -1.47060347
  H     -2.07294143     16.80458020     -0.66946698
  O     -1.77983540      8.56033287      0.50705030
  H      0.81675224     10.01175402      1.19142806
  H     -0.85200007     15.85730177     -0.60516742
  O      4.02280168      8.65584922     -1.45129810
  H      1.76660405      8.78989743      1.03225628
  H      1.67314734     15.52307570      1.15992842
  O      0.80701696     13.97958107     -4.23850052
  H      0.85964911     12.38331784     -1.44731386
  H      2.50353883     16.31044809      2.20273502
  O      1.32188776      9.23367090     -2.06271355
  H     -0.64341911     12.49019542     -1.09888599
  H     -2.56328628     13.31909491      1.38140537
  O     -1.51740944      9.31964618     -2.27081958
  H     -2.00652938     13.40080483     -2.73841120
  H     -2.24088517     14.70425668      0.76583476
  O     -1.81433441     15.88819577     -0.73710586
  H     -1.78602040     14.87380448     -2.37013101
  H      2.68599286     12.21282516     -2.39084747
  O      2.12971510     15.45323538      2.01585893
  H      2.94603044     13.79052849      1.65857871
  H      1.54865119     12.49406417     -3.42608501
  O     -2.24661188     14.20415489      1.58986054
  H      2.31945587     12.39249244      1.51430140
  H      2.09686179     14.92522104     -3.15630837
  O      1.89797369     11.83698252     -2.80955963
  H     -2.34922477     10.34769960      0.93631794
  H      3.24230671     14.59396946     -2.16882002
  O      2.65628515     15.30289884     -2.46529934
  H     -1.44520286     11.46300237      1.45171546
  H     -0.80730137     14.12428496      2.71339900
  O      0.00473650     13.88248417      3.18580119
  H      3.90490738      7.73278888      1.98593629
  H      0.67420218     14.53285885      2.94697934
          69
 Energy    -248.50856101530132     
  O     11.78945023     10.46225899    -15.37037740
  H     12.07583294     11.32634742    -15.05380073
  H     16.33324226      6.48608293    -15.02389959
  O     16.00757591      6.99665358    -13.32820919
  H     12.48281291     10.14455345    -15.96492184
  H     18.87860541      8.96447978    -14.92398926
  O     16.32246589     11.09627956    -11.42894170
  H     16.65889642      7.44641678    -12.77241745
  H     18.75322405      9.02715081    -13.37222103
  O     16.98612586     11.30575887    -14.22849609
  H     15.26112392      6.74707415    -12.76691795
  H     15.92889941     12.54877314    -15.07622520
  O     13.71543421      6.60845679    -16.79600403
  H     16.75862147     11.42230768    -12.22318292
  H     15.39281555     12.56621105    -16.51256839
  O     13.47921507      8.54407223     -8.83324895
  H     15.37493245     11.13521704    -11.63338680
  H     15.28574365      8.55256269    -13.90606800
  O     13.74294388      6.52814759    -11.82365589
  H     16.27821841     10.64379477    -14.16582257
  H     14.55920940      9.37740312    -15.01677906
  O     13.72880198     11.06233535    -12.35925119
  H     17.82226707     10.81418284    -14.21593113
  H     11.07943638      9.29801520    -14.30115747
  O     16.60270364     10.32320596    -17.00014273
  H     13.27211147      6.00821840    -17.38959344
  H      9.77939164      8.59996206    -13.83622228
  O     14.54811350      6.07255223     -9.16631275
  H     13.27462062      6.52343618    -15.93097642
  H     16.66831504      8.40330242     -9.02943673
  O     18.37999208      8.15679288    -16.60971148
  H     12.95162348      8.73478618     -9.62034448
  H     16.27728830      6.93888317     -9.28556107
  O     16.44070803      6.40399068    -15.98319952
  H     14.20253826      9.18283569     -8.82008319
  H     12.92154466      6.30871827    -13.53790548
  O     19.02141140      9.52812300    -14.15323887
  H     13.28066256      7.36379174    -11.66690703
  H     11.83265604      7.17052736    -14.19804238
  O     15.24285292     12.93515877    -15.64132901
  H     14.01153818      6.20135949    -10.95636784
  H     17.23795056      9.39246444    -11.69526980
  O     14.94520182      9.42635619    -14.13386182
  H     14.08414437     10.42345039    -13.00203729
  H     17.61577776      8.10085040    -10.94591391
  O     10.72314229      8.61850292    -13.70074608
  H     13.35814375     11.78469837    -12.87879832
  H     16.08641844     10.56019559     -9.70930173
  O     17.01488689      7.55792472     -9.34133062
  H     16.80445757     10.75475574    -16.16316720
  H     16.14111026     10.78948003     -8.18590295
  O     12.49459642      6.49288041    -14.38313801
  H     17.22573826      9.58435210    -17.03712075
  H     12.76877964      9.73212487    -11.62123376
  O     17.69702862      8.55083999    -11.80056426
  H     14.29968040      5.45762926     -8.48137123
  H     11.64177463      8.78569333    -12.07025133
  O     15.86049835     10.16591301     -8.85225138
  H     14.12112299      6.92258053     -8.95246080
  H     13.69429546     12.97045244    -14.80513875
  O     12.30418290      8.91771755    -11.38049932
  H     17.70396230      7.48251168    -16.41547962
  H     12.46650187     13.77134744    -14.31422547
  O     12.86215807     12.90368506    -14.30536911
  H     19.03917874      7.73610944    -17.15522192
  H     14.87622094      9.68705217    -16.99509017
  O     13.98467039      9.39972743    -16.75089175
  H     15.54853061      6.39399618    -16.34672643
  H     13.91620416      8.44805218    -16.90612418
          69
 Energy    -248.50840286467303     
  O     -3.50338129      3.69881892      4.25878763
  H     -4.15495932      4.27591453      4.64716997
  H     -1.29974129     -0.09600541      1.81817411
  O     -2.75540061      3.18916925      1.54989898
  H     -2.64511891      4.15905197      4.32113065
  H     -3.06223772     -1.44091040     -0.21261202
  O      2.63335948     -2.21701992      1.75585012
  H     -3.18192008      3.44340283      2.37682878
  H     -3.41939867     -0.92766322      1.18585487
  O      2.07688455      1.15273697     -0.76677464
  H     -1.81223265      3.37822675      1.66912242
  H     -1.73076207      1.13571194      5.04104242
  O      0.20043701     -0.93339402     -0.94532955
  H      1.87012861     -2.46117029      2.29213768
  H     -3.02892725      1.95101741      4.78162061
  O     -2.97923079      0.50633388      2.18632945
  H      2.48226189     -2.60508616      0.88173123
  H     -0.67725928     -2.95676561      3.03885515
  O     -2.42935601     -0.41322260     -1.75886168
  H      1.48767903      0.40721932     -0.94519136
  H      0.24751882     -2.34630755      4.12986745
  O      0.53978781      3.36709873     -0.86127392
  H      2.62918580      0.89039669     -0.02146994
  H      1.30488810     -2.36289622     -0.94034980
  O      3.53186596      0.32151838      1.57431507
  H     -0.65076313     -0.83637698     -1.38708192
  H      2.32772449     -3.25996058     -1.65546955
  O     -2.59395446     -1.74728351      5.26137391
  H      0.03015957     -0.74249002     -0.00954419
  H      1.16849132      3.68358620      6.88084529
  O     -2.50240939     -3.22913876      2.75878708
  H     -2.95531445      1.40584130      1.83489148
  H      0.33103068      2.68298710      6.06843611
  O     -0.37567656     -0.33972450      1.67993602
  H     -2.93299981      0.60035658      3.14656904
  H      0.68426645      0.85365307      2.37525477
  O     -3.36047777     -1.73623394      0.65397697
  H     -2.92221125     -0.41532786     -2.57517486
  H      2.17983472      1.18959216      2.52147262
  O     -2.68067841      1.05520609      4.87546554
  H     -2.34012991      0.51993579     -1.49278729
  H      0.23743532     -2.19134717      6.68387863
  O      0.20379427     -2.59067482      3.19661846
  H      1.13298603      2.59463793     -0.83664507
  H     -0.93480004     -1.77371766      5.75847491
  O      1.95805348     -3.06695112     -0.79767395
  H      0.89434891      3.96565221     -1.51327968
  H      0.20735365      0.12271503      5.54962866
  O      0.40018670      3.61721310      6.31950125
  H      4.48065585      0.31675523      1.66407741
  H      0.59175600      1.18300655      4.46923442
  O      1.30428701      1.44167452      2.83711337
  H      3.23836947     -0.60447758      1.65958864
  H     -0.59865838      4.58856644      3.46364589
  O      0.03135830     -1.71964994      5.88139656
  H     -2.71475612     -2.17053851      4.40297597
  H     -0.51133552      4.49914640      5.01174029
  O      0.11153711      1.04929178      5.29991826
  H     -2.81978922     -0.81248903      5.16264810
  H     -2.48035726      2.58630130     -0.23125388
  O     -1.06094531      4.81470073      4.28020249
  H     -2.93349737     -4.08001423      2.73711136
  H     -1.18147885      2.55927341     -1.04852045
  O     -2.06441859      2.17297915     -0.99765968
  H     -2.79689646     -2.75269600      1.96302739
  H      0.21743702      3.72279239      0.94255062
  O     -0.01814818      3.69783617      1.87856208
  H     -0.18140678     -1.12414329      2.21093202
  H      0.49148596      2.97121785      2.26366056
          69
 Ord_Energy   -248.508362    
 O    1.89082885       4.68121719       2.10529613    
 H    1.77864838       4.42062187       1.18371177    
 H    1.46947813       5.54326057       2.19931960    
 O   -1.86022520       7.46016550       3.86226416    
 H   -2.47835255       7.66150236       3.14838052    
 H  -0.992063701       7.37857819       3.45161104    
 O    1.46045423       3.70806766     -0.581577659    
 H    2.16918612       3.64426851      -1.21621788    
 H   0.712505341       4.13389587      -1.03758621    
 O   -2.75003839       5.83047009       5.82416582    
 H   -2.46534491       6.46404219       5.14211750    
 H   -2.46656489       6.18789816       6.66219044    
 O  -0.270134628       1.85440826      0.595387459    
 H    9.97326598E-02   1.32713366       1.31500947    
 H   0.439540148       2.37365913      0.195833117    
 O   -2.18010974     -0.232818142       3.15797114    
 H   -1.23735535      -3.88920791E-02   3.10254693    
 H   -2.56688809      0.412170172       3.76562166    
 O   -5.15870333       2.01022530       2.05408931    
 H   -4.83683681       2.64280081       1.39459848    
 H   -4.90441990       1.13598394       1.73378074    
 O   -3.58858705       7.88208199       1.64243257    
 H   -4.28465223       7.20569897       1.72959030    
 H   -4.02479267       8.69319439       1.39641833    
 O   -4.13136101       3.91199470      0.339564830    
 H   -3.89230752       3.75047159     -0.579798639    
 H   -3.30065846       3.93172765      0.840871394    
 O   -3.05467558       3.24341559      -2.16488457    
 H   -2.84744740       2.37981892      -1.76092803    
 H   -3.42326212       3.06453156      -3.02555823    
 O   -5.40588713       5.90969563       1.76562035    
 H   -5.02781200       5.26057434       1.15410721    
 H   -5.86959267       5.39185619       2.43177581    
 O   0.581970036      0.425810337       2.84031749    
 H    1.28609669     -0.189237222       3.02440071    
 H   0.801499248       1.25474834       3.30617785    
 O   -1.53130710       3.72579193       4.40014791    
 H   -1.87043619       4.44727850       4.94201803    
 H   -2.18951297       3.01679778       4.43226385    
 O   -1.73642159       3.99151659       1.65820575    
 H   -1.64838624       3.98205996       2.61993694    
 H   -1.22031105       3.25242805       1.31107795    
 O   -4.85472155       3.86700249       5.77870178    
 H   -5.48382807       4.03915024       5.06710815    
 H   -4.24326944       4.61391258       5.79510689    
 O    1.06362534       2.79574561       3.96123958    
 H    1.43722641       3.45013762       3.35304666    
 H   0.210068166       3.14932323       4.24448204    
 O   0.517827094       7.21945477       2.22943878    
 H  -0.108662203       7.01653671       1.51438701    
 H    1.00811446       7.99116039       1.95444286    
 O   -2.45871997      0.970733643     -0.860759676    
 H   -3.01333499      0.479901403     -0.244640976    
 H   -1.65235913       1.19868279     -0.375184655    
 O   -6.58304024       3.93129873       3.47856259    
 H   -6.17841530       3.19130898       2.99673915    
 H   -7.51180553       3.72535801       3.55848289    
 O   -3.98297691     -0.382874221       1.15949333    
 H   -3.30088496     -0.392788470       1.85640144    
 H   -4.30711794      -1.27616727       1.08207488    
 O   -3.57266569       1.85642016       4.41341114    
 H   -4.03089809       2.43072820       5.04512119    
 H   -4.07778597       1.91164541       3.59144974    
 O  -0.723035574       4.85633850      -1.70547688    
 H   -1.50421286       4.33188820      -1.91842628    
 H   -1.01133931       5.53740358      -1.08275628    
 O   -1.45372248       6.45714855      0.478463113    
 H   -1.53193021       5.59291601      0.915787220    
 H   -2.22002554       6.97889185      0.746619463    
          69
 Energy    -248.50833130507127     
  O     -2.09230382      1.82549241      0.94840541
  H     -1.17847658      1.70120691      1.26002314
  H     -0.79623504     -6.06707006      1.53137813
  O     -4.55318692     -2.15555788      6.36241961
  H     -2.12515507      2.68560345      0.53732536
  H     -0.00191592     -1.43741580      1.50485074
  O      0.89628766      0.62667682      4.49658615
  H     -4.85389121     -1.36700292      5.89386194
  H     -0.89748697     -1.27317947      2.77433506
  O     -3.86720851      0.46688735      2.62717044
  H     -3.58898879     -2.17710929      6.29110174
  H     -2.19356922     -4.44629244      1.05129051
  O      0.90197412     -2.15037054      5.48343188
  H     -0.05232426      0.41413463      4.43228779
  H     -1.84738999     -3.02114678      1.58452744
  O     -5.33684621     -4.34740136      4.97623515
  H      0.98202654      1.28015890      5.18762972
  H      0.74808261     -4.60813742      3.29734912
  O     -1.84198374     -2.48587193      5.68064822
  H     -4.08593220     -0.30592093      2.08318722
  H      0.53364054     -3.14219284      2.82949957
  O     -0.41549624     -6.03612922      3.51120612
  H     -3.33789554      1.05811975      2.07715731
  H     -3.86465716     -2.47994120      1.16379202
  O     -6.29754338     -2.35578734      3.09867674
  H      1.09184866     -1.25752307      5.17443208
  H     -5.24371322     -1.98703597      1.66013393
  O      0.46525619      1.39650783      1.75224705
  H      1.16978456     -2.74270489      4.76882637
  H      2.32004166     -3.40294238      1.82283329
  O      0.66986375     -4.25045279     -0.64681817
  H     -5.93111533     -4.90622128      5.46992633
  H      3.67942514     -3.38100764      1.08548647
  O     -1.16869699     -5.84876661      0.67102046
  H     -5.11256601     -3.59360710      5.55231861
  H     -1.82908634     -0.99627051      4.69786741
  O     -0.55850319     -1.91067372      2.13440503
  H     -2.06380540     -3.24607222      5.12585207
  H     -2.46322034      0.01412981      3.67407301
  O     -2.57342201     -3.64622659      1.44236741
  H     -0.87719771     -2.44613105      5.75625801
  H      0.79277970     -1.08661066     -0.48503370
  O      1.19893563     -3.76501270      3.16444245
  H     -1.25160306     -5.61036856      3.76478968
  H      1.92354173     -1.51933736      0.49514634
  O     -4.49329073     -1.74447851      1.09926625
  H     -0.36008040     -6.84725065      4.01041829
  H     -1.22756373     -1.39094262     -1.32280063
  O      2.76654776     -3.11624645      1.00808857
  H     -6.03919977     -3.11714861      3.63138650
  H     -0.47553573     -1.71544729     -2.63206392
  O     -1.64750606     -0.24021998      4.12063382
  H     -6.22015207     -1.59398108      3.68529730
  H     -6.14043652      0.69188582      4.93728790
  O      1.29226145     -0.81543197      0.29787561
  H      0.88437067      0.72908509      1.19077320
  H     -5.00157595      0.24384454      3.99620520
  O     -0.41301958     -1.78450846     -1.68277576
  H      0.74468024      1.20466902      2.65442446
  H     -3.62251533     -4.64477937      4.33968451
  O     -5.58427343     -0.05103042      4.71498172
  H      1.44412528     -3.93007990     -0.17170315
  H     -2.74835479     -4.24501895      3.11805085
  O     -2.71228311     -4.58946456      4.02354223
  H      0.24967369     -3.47063899     -1.02951572
  H     -2.41127157      0.27972251     -0.15657313
  O     -2.57752208     -0.54740749     -0.62316150
  H     -0.47432272     -5.38778657      0.17438661
  H     -3.32948042     -0.96094237     -0.18074476
          69
 Energy    -248.50811551931687     
  O     12.84127557     13.26506047    -12.88823589
  H     12.41641389     12.47163879    -12.51678824
  H     20.67477164      8.55827846    -14.20580799
  O     20.33508815      8.68577444    -11.03122984
  H     12.17870088     13.95100495    -12.89631369
  H     16.71710961     11.81032346    -16.54267444
  O     17.06390283     11.36271388    -11.94367242
  H     20.22287097      7.78699810    -11.36538802
  H     17.49194744     12.18631633    -15.26451945
  O     12.72256583      8.34339328    -12.59413609
  H     19.49303382      8.91855498    -10.62094625
  H     14.48353394      7.39379594    -14.90339458
  O     17.07878512      6.94473193    -11.90439609
  H     16.37328547     10.81101879    -12.34034201
  H     13.41731809      6.47575687    -15.54453875
  O     14.44965072      7.14505253    -10.81150461
  H     16.60314085     12.15888449    -11.64293195
  H     14.11444983      9.43387871    -12.75141698
  O     19.74530550      6.22486568    -12.39133229
  H     13.21256073      7.81602938    -11.94179391
  H     14.65527009     10.65380305    -13.56521952
  O     14.24446698     11.81425171    -14.80233593
  H     12.80966478      7.90860278    -13.45087861
  H     13.94271761     10.48734582    -16.05269677
  O     18.08116379      9.09480696    -15.77752406
  H     17.95981751      6.56717612    -12.01896520
  H     13.73582112      8.96212239    -16.22679845
  O     17.62729447      9.17513725    -10.30595272
  H     16.76905078      7.19162378    -12.78760144
  H     16.29342496      8.95103410     -9.13417462
  O     16.47945558     10.28208862    -17.73195831
  H     14.63623071      7.61939554     -9.99332029
  H     15.67448402      8.63246927     -7.75257714
  O     20.24142905      7.77179648    -14.56060931
  H     15.31577237      6.90244965    -11.16315137
  H     22.01637324     10.48635909    -13.05265581
  O     16.71934552     12.41963173    -15.79391450
  H     19.91961823      6.70894166    -13.21909952
  H     20.88813483      9.67850920    -12.36827154
  O     13.54315930      7.33220083    -15.14264944
  H     20.24153624      5.41221446    -12.43686432
  H     14.82090371     12.54868838    -10.54532857
  O     14.89218837      9.99090893    -12.89810549
  H     13.76975738     12.46538174    -14.27220269
  H     14.48263429     13.41152483    -11.75956214
  O     14.03074000      9.75704691    -16.68227620
  H     15.08717106     12.18828180    -15.10404670
  H     18.20887055     11.35330443    -13.33141170
  O     15.45414389      8.81294030     -8.66260568
  H     17.61854827      9.43716341    -16.55263713
  H     19.61931546     10.98493079    -13.85271327
  O     21.14362211     10.12895146    -13.19307328
  H     18.29860997      9.85728440    -15.21963035
  H     12.45186471     10.95075931    -10.98211035
  O     15.19103566     13.22068525    -11.13436207
  H     17.42619775      8.43067706    -10.89386616
  H     11.89061262     10.06979793    -12.10030689
  O     18.73526682     11.24760322    -14.13720310
  H     17.50531239      9.99289768    -10.80856334
  H     14.50530031     10.17348886     -9.50272652
  O     11.86035068     10.96708304    -11.74763328
  H     16.42773451     10.36610486    -18.68008653
  H     14.45756187     10.54718403    -10.99803088
  O     14.13420514     10.80893892    -10.12639513
  H     15.58565631     10.05222409    -17.42017688
  H     16.79955021      8.24540537    -14.86586496
  O     16.09548676      7.91140166    -14.29353488
  H     19.52434836      8.10065194    -15.11818714
  H     15.72739100      8.67579403    -13.82641147
          69
 Energy    -248.50788158310030     
  O     -5.82052763      3.99333021     -2.14933638
  H     -6.42633236      4.65076927     -2.48389683
  H     -5.76161434     -0.95579323      3.65973298
  O     -1.65883205      2.98997614     -3.23716141
  H     -4.92589193      4.34227078     -2.29099852
  H     -1.75448228      1.36509968      3.04124330
  O     -5.83781172      2.63152091      0.31438108
  H     -0.83595186      2.69672413     -2.82454078
  H     -0.99941821      1.76095038      1.75166962
  O     -3.55582496     -1.39959602      0.96020000
  H     -2.19416760      2.19295308     -3.35204139
  H     -0.70513377      2.36904190     -0.45579362
  O     -0.36223119     -0.71946894     -1.34302195
  H     -5.46249539      3.17887542      1.01691286
  H     -2.15517200      2.00406063     -0.02202394
  O     -3.27347418      0.71443167     -3.13627278
  H     -5.89313978      3.16780465     -0.48597380
  H      0.85192065      1.63454086      2.72939926
  O     -4.52102181     -2.41064336     -1.43886647
  H     -2.62587448     -1.44799312      1.21661582
  H      1.98752543      2.42690605      3.38727669
  O     -2.36230186     -1.94280674     -2.99080782
  H     -4.07992613     -1.18856780      1.74317546
  H     -5.06103639      1.05916379     -3.30474420
  O      0.44629253      1.87493393     -1.74655108
  H     -0.52575049     -0.95353341     -0.42315719
  H     -6.00711068      2.19197519     -2.87032313
  O     -0.82463282     -1.25432175      1.48436552
  H     -1.01469162     -1.19132401     -1.87406924
  H     -4.11742062      0.96449113      3.35379529
  O     -6.90361741      0.15798051      0.93081270
  H     -3.37166590      0.83299926     -2.17774137
  H     -3.83340317      2.46672770      3.11575759
  O     -5.27876515     -0.50317783      2.97354050
  H     -2.92734353     -0.17682908     -3.25973636
  H     -7.68018304     -1.20998415     -2.17192129
  O     -0.91129724      1.25954899      2.57854720
  H     -4.21840911     -2.17735916     -0.54966310
  H     -6.61620664     -0.09282329     -2.23594771
  O     -1.37161231      2.51675593      0.22728653
  H     -5.35174808     -1.93840564     -1.56956257
  H     -3.62984668      0.20337599      0.04922230
  O      1.79611612      1.84397583      2.65589622
  H     -3.14785268     -2.17544659     -2.46335812
  H     -4.40897165      1.54068041     -0.15893864
  O     -5.99232711      1.26825650     -3.14029351
  H     -2.22039037     -2.65720929     -3.60549250
  H     -2.16977668      4.11685345      0.37176549
  O     -3.46188013      1.65900911      3.48958536
  H      1.25828736      1.99903481     -1.23648558
  H     -2.97268020      5.03302964     -0.55883721
  O     -6.90872903     -0.86882262     -1.72628327
  H      0.21150539      0.93507500     -1.68349847
  H     -2.65998234      4.27906398     -2.74092450
  O     -3.61592433      1.05210622     -0.41111006
  H     -0.14621948     -1.77239433      1.91036389
  H     -2.96739435      5.77882164     -2.93582813
  O     -2.78500063      4.86621374      0.37047242
  H     -0.81399852     -0.37929823      1.90729876
  H     -3.86980172      4.42756918      1.63393981
  O     -3.25979121      4.99934827     -2.47075451
  H     -6.67027304      1.07799789      0.74010275
  H     -4.72973290      4.80336828      2.86524861
  O     -4.50597459      4.08002289      2.28581195
  H     -6.95404229     -0.27945622      0.07272251
  H      2.34078101      2.01173603      0.92025212
  O      2.60096703      2.09393410     -0.01028516
  H     -5.92153308     -0.28690925      2.27299696
  H      3.50210311      1.78312484     -0.05569280
          69
 Energy    -248.50757767541211     
  O     13.10761140      3.99103646    -11.64143048
  H     13.08943930      3.10324085    -11.26482397
  H      7.08032836      4.86543266     -8.65631864
  O     12.86611470      1.47117702    -10.36089157
  H     12.43026908      4.50677971    -11.18430454
  H     11.72506192      5.92661272     -9.63150558
  O      9.23941646      4.08875428    -11.38827504
  H     12.97103744      0.58413572    -10.69528329
  H     11.49789464      6.49407646    -11.08292756
  O     14.42731735      8.34361588    -10.97547799
  H     11.92163201      1.58565862    -10.15368756
  H     11.97386818      5.24280330     -7.72381330
  O     10.29996404      2.10674108     -9.76205869
  H      9.17896084      4.31001966    -12.32603797
  H     13.42621122      5.72160570     -7.97645929
  O     11.10686609      3.64985906     -7.50063003
  H      9.85299958      4.73071282    -11.00365291
  H     13.55161701      2.12105147     -8.69914175
  O     11.96395117      5.32110557    -13.87757425
  H     14.72724174      7.42214995    -10.87076944
  H     12.83485746      2.86468731     -7.55800454
  O     10.15289065      9.61074411    -12.48952889
  H     15.19906700      8.86417225    -11.18031238
  H     12.53304454      7.87323390     -8.38375198
  O      8.62502166      3.75908778     -6.23876292
  H      9.95164302      2.70915854    -10.43294705
  H     13.25488971      8.67009502     -9.48614796
  O      9.27290392      5.12268439    -13.96870718
  H      9.54378716      1.81484657     -9.23139862
  H     14.52630147      5.10181488    -11.09383131
  O      8.03501963      1.78952224     -8.26989819
  H     10.83847936      3.18647773     -8.30462887
  H     15.21755459      5.44153378     -9.75632180
  O      7.45161316      5.44453029     -7.97958389
  H     10.32006139      3.69640662     -6.94262450
  H      7.62733097      3.84949758    -10.58355774
  O     11.22207887      5.81418737    -10.45062580
  H     12.44669165      4.71740347    -13.29996622
  H      6.09367859      3.70922612    -10.70744643
  O     12.50174246      5.99549801     -8.02712011
  H     12.09149303      6.19994274    -13.49138399
  H     12.92152623      7.98824179    -11.95533796
  O     13.70725097      2.58850862     -7.86962932
  H     10.02843312     10.47538249    -12.86970044
  H     11.49111096      8.37418149    -12.46377192
  O     12.56594958      8.73617270     -8.81418550
  H     10.14242315      9.72293923    -11.51986880
  H     14.69727935      4.01406728     -7.92348698
  O     15.09479141      5.75200331    -10.66213297
  H      8.20003117      4.43135275     -6.80324043
  H     15.77264791      4.92732950     -7.28567180
  O      6.81700084      3.64606846    -10.08858955
  H      8.28251962      3.88114839     -5.35790877
  H     11.00318401      9.43984446     -9.40475399
  O     12.11152818      7.64231638    -12.35227544
  H     10.24499741      5.17661700    -14.00959242
  H      9.55537273      8.93736084     -9.59301411
  O     15.11225559      4.89397115     -7.97241814
  H      8.97276906      4.91039364    -14.84810803
  H      8.62275183      6.69385134    -12.99835207
  O     10.15114041      9.66580371     -9.80686074
  H      7.46894819      2.31298013     -8.85230290
  H      8.88156117      8.16185204    -12.58285357
  O      8.32139341      7.39450821    -12.40937510
  H      8.16651539      2.32803335     -7.47959638
  H      8.46102238      7.23800316    -10.60714512
  O      8.79499239      7.17196179     -9.69887752
  H      7.88325708      6.15762511     -8.46924838
  H      9.66555413      6.76671831     -9.78295602
          69
 Energy    -248.50752398890234     
  O     14.19149830      2.89538630    -10.81219964
  H     14.41990788      1.98135792    -10.60566404
  H     16.93207033      6.78502115    -15.04041094
  O     12.40698980      2.93129941    -12.95279019
  H     13.58267043      2.86505463    -11.56511133
  H     15.64702241      9.25256517    -10.53791688
  O     16.67758815      3.91581887    -11.66359029
  H     11.72056393      3.51134242    -12.60249779
  H     14.79975761     10.32747530     -9.81908748
  O     11.22496088      7.14444357    -13.51589389
  H     12.92771924      3.47938685    -13.56049531
  H     13.91893915      7.31954972    -12.55967999
  O     13.90074077      0.53593117    -13.36443458
  H     16.92340438      4.63492214    -11.06999491
  H     14.05917208      6.09026792    -11.63324963
  O     15.01054551      0.22303338    -10.72141303
  H     15.80588874      3.60871015    -11.37637009
  H     12.21935999      5.26546856    -10.68922388
  O     16.61389341      7.85240653    -13.49489320
  H     11.51532254      6.92416150    -14.40963619
  H     13.45788746      4.43864647    -10.24987192
  O     17.22793594      8.58095988    -10.89837764
  H     11.76823106      7.88657386    -13.22172961
  H     16.47158712      0.28214986    -15.24193222
  O     13.93035758      4.65619445    -14.43605811
  H     14.14643157      0.30731348    -12.45901896
  H     15.42656160      0.77330715    -14.21121303
  O     14.90775664      9.77409526    -14.72534540
  H     13.24927623      1.24512382    -13.29719313
  H      9.86987459      5.03906921    -11.61716338
  O     14.59017976      7.80190099    -16.50227890
  H     15.88637898      0.47563076    -11.06655719
  H     10.91552359      5.78895808    -12.47321136
  O     16.78271123      6.22969983    -15.81740543
  H     15.14827167     -0.49628842    -10.11191279
  H     16.66014988      3.87905525    -13.51915687
  O     14.73469744      9.52410819    -10.32972650
  H     16.13553511      8.58422317    -13.90641185
  H     16.53113549      2.77900806    -14.60717222
  O     14.38929553      6.48107553    -12.45038423
  H     15.94121853      7.27480475    -13.10394246
  H     17.27952814      2.11083356    -11.74103647
  O     13.06416883      5.32323550    -10.22684430
  H     17.36071740      7.71952136    -10.48566439
  H     17.13153395      1.01400269    -12.81273498
  O     16.32189671      0.93102425    -14.55959128
  H     17.19428252      8.40362791    -11.84931216
  H     12.87058929      5.55420892    -15.51688634
  O     10.78529372      5.02391352    -11.88435828
  H     14.05276086      5.33184511    -13.75083059
  H     11.83491873      5.67253357    -16.66095495
  O     16.52580242      3.73371096    -14.46701984
  H     14.80760798      4.28947587    -14.60393623
  H     14.66178221      7.87434457     -9.29624672
  O     17.28715406      1.15278994    -11.86983572
  H     14.76202952      9.11181931    -15.42728444
  H     14.07844954      6.44552154     -9.21869016
  O     12.29084955      6.17591599    -15.99076606
  H     15.14811087     10.58806671    -15.15863619
  H     16.32081035      6.28657730     -9.37526814
  O     14.79443801      7.00898339     -8.89248467
  H     15.33305470      7.18946010    -16.38709777
  H     17.71099809      5.75091216     -8.96614227
  O     17.16517037      5.94895033     -9.72380400
  H     13.78171933      7.28282317    -16.43623585
  H     13.64027594      9.24871850    -11.82440269
  O     13.20805903      8.98585230    -12.64855209
  H     16.81790966      5.32388129    -15.48811703
  H     13.72502895      9.36515008    -13.37340872
          69
 Ord_Energy   -248.507446    
 O    1.26645827       6.16996431       2.45725393    
 H    1.19638181       6.14420366       1.49656320    
 H    1.48885369       5.27883434       2.75145483    
 O   -1.13082170       5.68452406      -2.76151466    
 H  -0.980293870       5.89674187      -3.67885065    
 H   -1.19016469       4.71377420      -2.70361209    
 O    1.73650992       3.58053613       3.63431907    
 H    2.59654093       3.40001011       4.00452614    
 H    1.52188385       2.83673072       3.04291916    
 O   -3.51187563       5.58526945      -1.16252995    
 H   -3.60846949       4.62400913      -1.10376132    
 H   -2.79473019       5.74661541      -1.78686261    
 O  -0.858888388       3.61970806       4.66362524    
 H   -1.08947217       4.41317368       5.16385078    
 H    7.61253312E-02   3.66331100       4.42390442    
 O   -4.29119158       4.60559177       5.38133335    
 H   -4.53919315       4.85819483       4.48079157    
 H   -3.49648666       5.10757303       5.59404087    
 O   -5.54779577       1.98867846       2.43988681    
 H   -5.45233297       1.87547946       3.39442372    
 H   -4.71950293       1.67722726       2.04445767    
 O   -1.42421091       3.02312231      -2.27921200    
 H   -2.34037900       2.80526233      -2.06857610    
 H  -0.959259510       3.01213646      -1.43017387    
 O   -3.06523967       1.51233423       1.29072881    
 H   -2.73898911       2.33569241       1.68207073    
 H   -2.46578169      0.818437874       1.59054387    
 O   -1.23084676     -0.151329234       2.57155228    
 H   -1.12677550      -1.08393443       2.73904204    
 H   -1.55344903      0.253194600       3.39862037    
 O   -3.96516657       2.77721930      -1.02576220    
 H   -4.91749430       2.76758552     -0.876164913    
 H   -3.58631635       2.25784707     -0.302202731    
 O   -1.81450641       5.97692919       5.80241585    
 H   -1.56177282       6.49679470       5.01667690    
 H   -1.61051166       6.51357126       6.56325293    
 O   -2.12879920       6.55731106       1.07085776    
 H   -2.05267358       5.72866058       1.56280887    
 H   -2.69816995       6.35199833      0.317746043    
 O   -2.20061278       3.97584867       2.26753998    
 H   -3.10667157       4.27993250       2.43199706    
 H   -1.74441993       3.87829566       3.11467457    
 O   -5.92339802       5.64072561      0.323013306    
 H   -5.19406652       5.78449965     -0.294598848    
 H   -6.29460859       4.77790642      0.102497108    
 O   -1.02391040       7.24566078       3.57746029    
 H  -0.152557135       6.94254112       3.27934909    
 H   -1.55009782       7.31094933       2.77316928    
 O   0.279711753       6.11989355     -0.291123360    
 H  -0.493408859       6.42529869      0.208033502    
 H   -1.22780604E-02   6.09514666      -1.21034777    
 O   -2.16789269       1.15747714       4.73076439    
 H   -1.68451762       1.99060428       4.82322025    
 H   -3.09175181       1.35843241       4.91564369    
 O   -6.63302422       2.82935238       6.80220022E-04
 H   -7.46943283       2.43129015     -0.229386613    
 H   -6.39262962       2.48229527      0.874573112    
 O   -4.88734818       1.97285688       5.18511629    
 H   -4.67155266       2.91136026       5.33575773    
 H   -5.37735796       1.67982936       5.94922781    
 O   -4.80832815       4.70854330       2.64872456    
 H   -5.16911793       3.81346369       2.60310626    
 H   -5.19425201       5.20073938       1.91084611    
 O   0.948051691       1.61998880       1.95653343    
 H   0.272818118      0.958375394       2.14357686    
 H   0.608245254       2.16168118       1.22973192    
 O  -0.268904358       3.44627762      0.253561914    
 H  -0.956092477       3.59902859      0.914511025    
 H    7.37388879E-02   4.32350779       3.40921693E-02
          69
 Energy    -248.50743947262993     
  O      1.29323486      2.18783750      2.37997041
  H      1.76713805      1.34677455      2.30839722
  H      0.10853179     -3.02415262      3.67254644
  O      0.37626283      3.16345787     -0.19133780
  H      1.07491280      2.47733238      1.48740233
  H     -4.72727489      0.36405467      5.01133730
  O      0.64439583     -3.66275656     -2.65542383
  H     -0.58914587      3.08208070     -0.08650526
  H     -4.22465763     -0.51960926      3.84576914
  O     -2.92322098     -1.52913449     -3.64770863
  H      0.55025956      4.07650627     -0.40674908
  H     -3.13618614     -0.64542458     -0.38479473
  O     -0.05633953     -1.25173092     -3.68841823
  H      0.47309557     -2.77708797     -3.02358240
  H     -2.53954082     -0.92406569      1.00738576
  O     -2.64885373      2.13538204      2.78524161
  H      1.21592960     -4.10855423     -3.27500050
  H     -1.27134485     -3.94593475     -2.57270426
  O     -2.92760335     -4.22002953      3.09748627
  H     -3.52776953     -1.70264364     -4.36445818
  H     -2.36511138     -4.00223088     -1.49295677
  O     -2.67126191      0.51517873     -1.71892562
  H     -2.76168603     -2.38191860     -3.20658209
  H     -1.66089380      0.68816150      2.09520217
  O      0.11258340      0.93270110     -1.93709088
  H      0.11555218     -0.42437946     -3.21937443
  H     -1.13981240     -0.49758544      2.91359950
  O     -4.49842995     -1.85190650      2.78642937
  H     -1.01179720     -1.28507113     -3.81915294
  H      0.63421246     -3.72223670     -0.80384756
  O      1.65679668     -3.15689753      2.61708261
  H     -1.92114769      2.37310242      3.37668343
  H     -0.49623248     -3.73721632      0.26273421
  O     -0.74886948     -2.99847260      4.11435655
  H     -3.23860730      1.56870243      3.29941186
  H     -0.06242680     -0.55277756      0.76271610
  O     -3.99269694      0.23426329      4.41771332
  H     -3.11921674     -4.99392663      3.62011307
  H      0.51892217     -1.78077978      0.01064205
  O     -3.21781703     -1.22410776      0.38270598
  H     -2.13700188     -3.80470942      3.48823342
  H     -0.05129137      2.97122056      5.07560123
  O     -2.22432543     -3.87362577     -2.43978077
  H     -2.88889181     -0.09491829     -2.43528462
  H      0.26037059      2.29281861      3.72008034
  O     -1.27503944     -0.19304581      2.00991687
  H     -1.72349097      0.69266686     -1.80798645
  H     -0.83319111      0.51833716      4.83200023
  O      0.45622651     -3.60982226      0.13927876
  H      0.31306336      1.77857093     -1.52265967
  H     -2.19800403     -0.20236142      4.83169443
  O      0.54834664     -0.81854811      0.05807636
  H      0.32601772      0.26450588     -1.26355152
  H      1.94139215     -0.43860253      1.22379501
  O     -0.38096024      2.32767571      4.45500621
  H     -4.06367300     -2.69705954      2.95331623
  H      2.30043642     -1.20546334      2.47913255
  O     -1.24324725     -0.35612997      4.84591017
  H     -4.26923018     -1.61570442      1.87729592
  H     -2.64839723     -2.91382503      0.29507010
  O      2.41757824     -0.34696553      2.06155940
  H      1.29551238     -3.36277515      1.73945566
  H     -2.54772739     -4.11211166      1.26427281
  O     -2.30220673     -3.81585248      0.38002165
  H      2.33873380     -3.80423204      2.78380698
  H     -2.59181211      2.61015323      0.97354053
  O     -2.29650163      2.76272761      0.06642315
  H     -0.83061191     -2.13153554      4.53288666
  H     -2.65180532      2.05547899     -0.48436596
          69
 Energy    -248.50722445136819     
  O     14.48126242      8.36435118    -16.01562159
  H     15.18007815      8.95783863    -15.71364814
  H     17.07162794      1.87332613    -15.23544595
  O     14.15736973      2.69096795    -15.23485749
  H     14.13052016      7.92590113    -15.23010031
  H     19.82226859      4.39114525    -16.56421422
  O     18.38118078      6.37223548    -11.97452542
  H     14.86835462      2.06100501    -15.40105519
  H     19.41914936      3.85416466    -15.17650750
  O     19.05844133      4.37266252    -18.34028771
  H     14.20802143      3.33629923    -15.95371604
  H     18.27961618      6.02388447    -18.04439402
  O     16.82768233      2.89845007    -18.01314128
  H     19.14423412      6.41846686    -12.56083723
  H     16.99316049      6.92993527    -18.04721484
  O     13.86453713      7.26045136    -10.82829121
  H     17.69031072      6.88910730    -12.42254911
  H     17.29373663      6.03924674    -16.09436025
  O     14.42226617      4.28215588    -13.03298202
  H     18.27843656      3.79454109    -18.25613962
  H     16.72939028      6.32144878    -14.68014392
  O     16.49681526      7.64926319    -13.40847674
  H     19.54483673      4.07034524    -19.10250372
  H     14.81287477      4.12518635     -9.69099552
  O     17.82253258      3.23210019    -14.40774465
  H     16.76737581      2.19018124    -17.36106042
  H     15.68513316      3.56910451     -8.54252698
  O     13.24851948      4.40395030    -10.57383481
  H     16.09133621      3.49329535    -17.81692396
  H     14.77232360      5.45682024    -17.63590366
  O     18.97259777      8.53456801    -15.77739642
  H     13.51968833      6.39140584    -10.59735297
  H     15.47696866      4.98633802    -16.35806020
  O     16.57500428      1.21116781    -15.74808976
  H     14.77109891      7.27107869    -10.48825443
  H     20.26174021      5.84351252    -14.63650407
  O     20.06770154      4.40762067    -15.63210741
  H     15.34105826      4.19990157    -12.74821189
  H     21.26090492      6.77922803    -13.92541093
  O     17.87368253      6.81523926    -17.66681439
  H     14.28272165      3.67249676    -13.77235975
  H     16.67838431      3.85266896    -10.99709743
  O     16.84756448      5.62968034    -15.34153422
  H     15.54788682      7.47225394    -13.36073243
  H     17.53431000      4.78641319    -11.89462378
  O     15.72630023      4.03395375     -9.37452351
  H     16.60970080      8.48957491    -13.86851105
  H     16.30870140      5.90597766     -9.54607479
  O     14.87876862      4.69047963    -17.06194088
  H     17.47778394      4.05276299    -14.79563178
  H     17.24348806      6.76914097    -10.40459242
  O     20.32893364      6.63189769    -14.07009662
  H     17.64283179      3.30032758    -13.46070298
  H     13.70402666      7.25551943    -12.62821617
  O     17.01736740      3.96599054    -11.89195620
  H     12.35513951      4.07053293    -10.57498097
  H     13.96115254      6.04435575    -13.54238964
  O     16.47064721      6.81331802     -9.82986043
  H     13.57680010      4.33015651    -11.48772916
  H     16.90672014     10.79701398    -14.91239606
  O     13.82995302      7.00208062    -13.55668292
  H     18.69736469      7.99215527    -16.53027782
  H     17.58475339      9.47572016    -15.35659726
  O     16.74288007      9.87035422    -15.06340848
  H     19.43670487      7.94571238    -15.17117944
  H     14.68132615      7.62429886    -19.06555152
  O     15.13811410      7.18593459    -18.35311121
  H     16.89629696      0.35486861    -15.47906681
  H     14.86322992      7.62937723    -17.52865958
          69
 Energy    -248.50696018011803     
  O     10.13897969     11.39150919    -11.85205822
  H      9.26394173     11.34778049    -11.47536429
  H     12.53110311     12.21277500     -9.71858994
  O     14.61925042     10.49269414    -13.05072887
  H     10.76088210     11.42629337    -11.10285080
  H     10.89549490      9.97374810    -16.76249301
  O     17.44197005     12.93568022    -13.68738111
  H     14.17453540      9.77154965    -12.58735401
  H     11.82325350     11.16439219    -16.43955381
  O     15.40094677      7.04322328    -13.22781187
  H     15.52026090     10.55736915    -12.70748982
  H     14.20272159     14.59535207    -15.04351971
  O     11.35168517     13.52336399    -13.30991854
  H     16.73232703     13.52698970    -13.95998047
  H     15.16052211     13.45338396    -15.43792784
  O     12.33481149     14.90450221    -15.40822886
  H     17.74948748     12.51084450    -14.49893178
  H     18.06836812     10.63852847    -15.84865306
  O     15.37551983     12.08214739    -16.64410214
  H     15.44743146      7.04099079    -14.19087710
  H     18.90037288     11.69242039    -16.61591003
  O     13.65525857      9.24776884     -9.39556835
  H     16.24502517      7.40745539    -12.93254098
  H     13.99257390     13.41896689    -10.77813985
  O     13.97719316     13.09202817    -12.49025981
  H     10.79860986     12.84317179    -12.91219245
  H     14.01907118     14.38844038     -9.57160820
  O     14.21854372      9.75092318    -15.65083049
  H     12.23718383     13.36847610    -12.95030495
  H     18.04104980      8.74668194    -14.40951734
  O     17.89285163      8.32216745    -12.58019036
  H     11.86779188     15.72497071    -15.53938470
  H     17.25051421      8.41898593    -15.68523710
  O     11.92828137     11.46617779     -9.81824668
  H     11.88799538     14.43982842    -14.67676884
  H     15.20140559     12.04445703     -9.57883600
  O     11.52674641     10.29280266    -16.12245745
  H     16.33355643     11.96913136    -16.61249282
  H     15.08266119     10.51343471     -9.49903406
  O     15.03532771     14.17185446    -14.80007403
  H     15.00372118     11.24426428    -16.33239180
  H     15.10049701      8.28033841    -15.97680584
  O     18.09495441     11.57380843    -16.11956756
  H     13.58730501      8.54751762     -8.75182691
  H     15.35380553      7.01011785    -16.82611328
  O     13.95465986     13.46676726     -9.80607074
  H     13.53620034      8.83655967    -10.26991011
  H     12.44382632     13.43188061    -16.56646597
  O     17.95080786      8.98602112    -15.34009606
  H     14.39641081     13.54660429    -13.23204677
  H     13.55389845     12.51499547    -17.11681777
  O     15.71476472     11.22966857     -9.63838172
  H     14.11586308     12.14600517    -12.64314049
  H     10.86389633     10.00786697    -12.88976126
  O     15.65305362      7.48229553    -16.05396986
  H     14.36265545     10.01275908    -14.72794755
  H     11.33457076      9.66210825    -14.31262409
  O     12.59551551     12.61235480    -17.05378926
  H     13.27609217      9.84278681    -15.83699000
  H     16.73266423     11.04789649    -11.07987560
  O     11.30141406      9.32259574    -13.41167789
  H     17.67593245      9.22711822    -12.29359096
  H     17.30344693     11.64279998    -12.43712675
  O     17.13952880     10.83264070    -11.93304434
  H     18.58720479      8.01149383    -12.00515388
  H     13.98124437      7.74292729    -12.38962195
  O     13.34807075      8.29434487    -11.90560688
  H     12.44851624     10.68051647     -9.60969710
  H     12.59009395      8.51080206    -12.47012617
          69
 Energy    -248.50691566176010     
  O      1.79148027      0.72738881      3.54844810
  H      2.58995240      0.95454415      4.01750891
  H     -3.03638613      0.70796024      5.65640619
  O     -1.41015732     -1.95971242     -3.09552618
  H      1.20076199      0.29500400      4.19408098
  H     -2.12747269      2.44564028      0.41673272
  O      0.04453457     -0.39828885      5.26971075
  H     -1.97782987     -1.46640564     -2.48893091
  H     -0.72364528      2.05781305     -0.08588027
  O     -2.52552016     -0.56118239     -0.87653590
  H     -1.21178873     -2.79280432     -2.65007146
  H     -3.11167275      0.76985396      1.40795292
  O     -0.54661388     -4.14753242     -1.42064693
  H     -0.70516749      0.13188184      5.57817237
  H     -4.12983742      1.91073092      1.47412914
  O      1.63059977     -2.56864649     -1.03204060
  H     -0.26247894     -1.31014630      5.24289320
  H     -1.44377738      0.83877947      2.88657700
  O     -4.42889248      2.71518983      3.11891579
  H     -1.63218970     -0.19143409     -0.80577929
  H     -1.49842287     -0.69322830      2.59256474
  O     -3.65735874     -2.76043331      4.50332207
  H     -3.11802677      0.08548815     -0.47549215
  H     -1.83303010     -3.55793264     -0.25868610
  O     -0.40370415      2.40963633      3.00573828
  H     -0.26825370     -5.01947689     -1.68741370
  H     -2.51216452     -2.17191834     -0.08059088
  O      0.99475025     -0.67709534     -3.09185610
  H      0.26324519     -3.63867741     -1.23505242
  H      0.74472803     -1.43498576      1.60780879
  O     -4.26771891      0.01444096      4.30931975
  H      1.59662789     -1.94150217     -1.76550243
  H      1.71334959     -0.29065920      1.95915015
  O     -2.21258084      1.08798431      5.98365465
  H      1.73337166     -2.03781946     -0.23205207
  H     -1.90085771      4.50322006      4.90983002
  O     -1.20682321      2.72678579      0.42056075
  H     -3.72829243      3.17658961      3.59645458
  H     -1.48977352      3.26580332      4.07711897
  O     -3.76050238      1.25228378      0.86740383
  H     -4.60185976      1.92753727      3.64640774
  H      0.54143688      0.09544966     -0.03846728
  O     -2.03052527      0.10710940      2.65755595
  H     -4.02840160     -3.03796667      3.65704060
  H      0.43366811      0.26856196     -1.58018253
  O     -2.42054267     -3.05151315      0.31695472
  H     -3.93653784     -1.84424057      4.62173148
  H     -1.98393182     -2.99939838      4.85334285
  O      1.42497293     -0.85369095      1.23168934
  H      0.44573286      1.96467144      3.10006516
  H     -0.84597422     -3.79448288      5.53894991
  O     -2.18481472      3.62974625      4.65327162
  H     -0.57221092      2.60075360      2.06940558
  H     -1.25658896     -2.68324175      1.69466826
  O      0.03623529      0.52913665     -0.74074427
  H      1.30281868     -0.40739085     -3.95245217
  H     -0.71028312     -2.70147198      3.17280571
  O     -1.01594044     -3.07971714      4.93178497
  H      0.13531433     -1.11674816     -3.22169115
  H     -3.88084846     -3.29789848      1.29135674
  O     -0.61369839     -2.29561102      2.30185403
  H     -3.43852246      0.05706665      3.80388167
  H     -5.20117482     -4.04622044      1.58616552
  O     -4.65593633     -3.31836903      1.87598626
  H     -4.94854428     -0.21638107      3.65902632
  H     -5.20246701     -0.06997372      1.47311943
  O     -5.70341494     -0.64455097      2.06262969
  H     -2.21972311      2.00543461      5.68378105
  H     -5.40164845     -1.54627239      1.89512066
          69
 Energy    -248.50685521384648     
  O     15.56472776     11.11139475    -16.40165187
  H     16.32072359     11.40745651    -16.93973095
  H     18.61681775     12.13738192    -17.63547957
  O     18.62036278     17.04481437    -17.17074392
  H     15.10246609     10.45433157    -16.91493412
  H     18.27481659     12.28417327    -10.21171842
  O     19.02198266     15.30692641    -10.95345862
  H     18.46225783     17.88989343    -17.58321777
  H     17.99209269     13.79518262    -10.23929146
  O     14.57076620     14.84905974    -13.15600314
  H     18.74031103     17.21237250    -16.21975799
  H     20.32885155     18.55022950    -11.90486818
  O     19.79685339     11.16473750    -10.59039958
  H     18.35994370     15.46996227    -11.64068993
  H     20.85088009     19.69432578    -12.78718314
  O     15.57764224     12.38928761    -12.01129376
  H     19.65581924     14.66137904    -11.29784070
  H     20.67165529     12.65738055    -11.23888004
  O     20.52674993     12.47566560    -17.33193350
  H     14.56504998     14.46532776    -14.05154579
  H     20.95227414     13.13848045    -12.67969710
  O     21.29994917     15.61345052    -14.59429759
  H     13.68987420     15.17481216    -12.99233998
  H     16.39476098     11.50349586    -13.26098531
  O     20.63326129     17.44596183    -10.47607718
  H     20.05185296     10.40569823    -10.07327480
  H     16.41381496     11.01003532    -14.75510696
  O     20.83687889     12.89969309    -14.58662761
  H     19.67813201     10.85551839    -11.50680368
  H     21.16350223     15.39451139    -16.46823138
  O     14.70799132     13.77720150    -15.65162909
  H     15.18098204     13.22391493    -12.28154928
  H     20.06575893     15.80486972    -17.45774260
  O     17.66531455     12.16873295    -17.78002911
  H     16.20325737     12.59119742    -11.29958224
  H     18.31464442     16.80971072    -13.97106431
  O     17.56661239     12.93604765    -10.14276285
  H     21.12457772     12.08398249    -17.96417742
  H     19.37052680     17.96080413    -13.90905777
  O     20.16426419     19.03387506    -12.72853566
  H     20.60368087     13.44195021    -17.43578766
  H     22.08933665     14.95090728    -11.83435271
  O     20.95452783     13.42193047    -11.75777594
  H     21.81252041     15.77266732    -13.78900215
  H     21.97285402     16.44911963    -11.51305535
  O     16.95875718     11.16136371    -13.97452937
  H     20.50742413     16.16247386    -14.53257084
  H     20.05750075     11.16827196    -13.77715637
  O     20.78679592     15.17722020    -17.33169889
  H     20.71558088     17.61107588     -9.54043228
  H     18.62331472     10.66518665    -13.50225790
  O     19.00190207     17.26728538    -14.47467945
  H     20.00558505     16.70839293    -10.57480466
  H     17.65906501     12.77745517    -14.35451297
  O     22.42598259     15.82178452    -12.08745206
  H     20.80956101     12.61213631    -15.50974728
  H     19.06409899     13.39616432    -14.56701955
  O     19.54743177     10.57154669    -13.22282951
  H     21.08277656     13.83948557    -14.59956919
  H     17.46303671     14.35995168    -16.06355331
  O     18.12367069     13.60161204    -14.55689368
  H     14.82939661     12.84307645    -15.85533441
  H     17.49668952     15.55436644    -17.05606606
  O     17.04567799     14.72667128    -16.85951831
  H     15.38915318     14.23769692    -16.16097953
  H     16.28748481     15.55879845    -12.98903008
  O     17.24338338     15.67327964    -13.04389678
  H     17.42080660     13.09797067    -17.66103501
  H     17.56959066     14.90514350    -13.54055745
          69
 Energy    -248.50658406147522     
  O     14.03033895     10.57923245     -9.33315243
  H     14.14560685     11.53121995     -9.22174197
  H     10.59156891      9.07975743    -11.01303304
  O     16.34682703     13.25026742    -13.23934337
  H     14.84742215     10.25221733     -9.73550722
  H     14.38236963      5.28583721    -11.15914701
  O     10.76428345     10.80575508    -15.22695501
  H     16.62990381     12.92789636    -12.36460880
  H     14.48180603      6.80218018    -11.38201324
  O      9.99779348      8.55961434    -13.92336740
  H     17.04495796     13.81251138    -13.56404635
  H     11.00954828      6.93365582    -10.49742584
  O     12.53795647     11.72103033    -13.27565806
  H     10.40994529     10.02488403    -14.76393070
  H     12.26071129      6.81851071     -9.59740249
  O     15.02637597     11.01790956    -14.34573226
  H     10.06451753     11.13938695    -15.78123258
  H     13.24417671     13.21227820    -12.41103946
  O     14.53114230     13.33260429     -9.41032858
  H     10.75262864      7.99700581    -14.15080760
  H     14.66298071     13.79925090    -12.47866582
  O     16.45610274      9.63240675    -10.41766504
  H      9.85623137      8.45003773    -12.97648857
  H     12.41628804      9.99479305    -15.87816740
  O     16.91502666     12.39098573    -10.72481441
  H     11.87442597     11.52977047    -13.95023685
  H     13.92597369     10.03351848    -15.56997240
  O     13.59078630      8.16065536    -12.20157374
  H     13.39180365     11.43374850    -13.63106965
  H     16.84537494      6.61966111     -8.52062993
  O     13.68121465      4.82103199    -14.32194301
  H     15.51917215     11.80794917    -14.09145564
  H     15.87778132      6.68190688     -9.72785542
  O      9.90390600      8.39233765    -11.06692873
  H     15.49797716     10.26564703    -13.95998942
  H     12.33802238      5.07562206    -11.17506112
  O     14.99108536      6.02880947    -11.08886247
  H     14.37748042     14.09530584     -8.85984620
  H     12.49216710      3.54485966    -11.29731466
  O     11.67692969      6.31413687    -10.18249855
  H     14.21459239     13.56051560    -10.30338572
  H     15.52633043      5.68704041    -14.09351230
  O     13.83679634     13.84331672    -11.98121385
  H     16.44700997      9.35003352    -11.34316368
  H     16.03105887      5.99672835    -12.69740853
  O     13.23465150      9.49062320    -15.96955413
  H     16.52489885      8.83595563     -9.87725939
  H     12.84290940      6.46654863    -14.65698559
  O     16.24867387      7.19696113     -8.98963331
  H     16.90146364     11.43665915    -10.57234390
  H     12.78556982      7.97000306    -15.13959160
  O     12.78928980      4.36866024    -11.67456584
  H     16.22219762     12.75859979    -10.16274501
  H     14.34611679      7.57188714     -8.55748985
  O     16.26732702      6.09131025    -13.63037322
  H     13.02204836      8.79594900    -11.75470640
  H     13.49685015      8.82956685     -8.69800854
  O     12.40269653      7.31428238    -14.53496822
  H     13.12785259      7.86430790    -12.99777218
  H     15.16496998      8.67105511    -12.76426965
  O     13.43147506      7.87104925     -8.60776628
  H     13.56581088      4.01822557    -14.82555304
  H     16.35758878      7.95918407    -13.41673675
  O     16.08015391      8.81238497    -13.05963846
  H     13.34461389      4.63957626    -13.43009738
  H     12.62585783     10.37478736    -10.41230093
  O     11.96089506     10.16305136    -11.08171434
  H      9.18831853      8.67696721    -10.50352968
  H     12.10659926     10.75093230    -11.83651350
          69
 Energy    -248.50622459476941     
  O     -5.63269323      3.13998634     -1.25730046
  H     -6.51664037      3.47228929     -1.38684313
  H      0.86046013      0.75315296      3.17206584
  O     -1.19474914      3.50310015     -3.62237546
  H     -5.50530651      3.05307706     -0.29513225
  H      0.64976333      3.94875479     -0.17923073
  O     -5.16409031      2.95490203      1.41584349
  H     -1.86389014      3.70953427     -2.94759190
  H      1.39769502      4.30185531      1.12954394
  O     -0.02399848      0.58849735     -1.34403824
  H     -1.37207913      4.07229585     -4.36703147
  H      3.51649073     -1.10982095      0.39618523
  O     -1.88838544      0.65935019     -3.29886976
  H     -4.58009709      3.60991378      1.81745628
  H      2.03979449     -0.71809646      0.60106257
  O     -2.21969716     -2.38804536      0.91313455
  H     -5.04494416      2.13866194      1.91552645
  H      2.86261964      0.66408147      2.19128572
  O      0.92900154      3.07332106     -1.76415920
  H     -0.65888484      0.39234896     -2.05287010
  H      2.75343399      2.11879281      2.67558434
  O      0.26879970     -1.10302226      0.84201853
  H      0.04348011     -0.14391219     -0.72231498
  H     -4.45184268      0.17154709     -1.54920517
  O      3.35154598      2.30403943     -0.50388020
  H     -2.82639116      0.65683728     -3.05882005
  H     -4.96202932      1.50650378     -2.09367752
  O     -2.49355754     -0.82242743      3.35579997
  H     -1.68272533      1.55621163     -3.58516239
  H     -0.56046123      3.48200474      1.82723211
  O     -4.82663000      0.44559435      2.75032227
  H     -2.57107907     -3.23232292      0.64245678
  H     -1.92637409      3.57701776      2.57133564
  O     -0.08043675      0.56739496      3.04109606
  H     -2.82662158     -1.70946086      0.57086961
  H     -4.39607228     -0.14369600      1.00133870
  O      0.53945190      4.35766182      0.69129683
  H      0.67868754      2.14861151     -1.60077565
  H     -3.28512643      0.43112779      0.10181928
  O      2.94028969     -0.36244696      0.54047666
  H      0.36272193      3.36049920     -2.48850105
  H     -1.34678529      1.40362924     -0.41760541
  O      2.59019075      1.20607118      2.94191890
  H     -0.49883680     -1.68687200      0.82392829
  H     -1.83388368      2.14642779      0.87190096
  O     -4.53514290      0.68513438     -2.36298877
  H      0.13637646     -0.50566206      1.59469092
  H     -2.30841996      5.18675009     -0.40358368
  O     -1.20286247      2.97882659      2.35065238
  H      2.63391984      2.58081696     -1.08868846
  H     -1.02619719      5.41138753      0.42846240
  O     -3.88723362     -0.32442594      0.20204484
  H      3.19859781      1.37525066     -0.29065809
  H     -2.66087483      3.12466462     -1.01761250
  O     -2.11948009      1.77547790      0.02797118
  H     -2.38288102     -1.49384268      2.67316295
  H     -3.92432658      3.78348873     -1.59466421
  O     -1.94407219      5.69729048      0.33231405
  H     -1.64358518     -0.36474129      3.41147169
  H     -2.87135253      5.23516634      1.73158350
  O     -2.96417351      3.87043217     -1.55930634
  H     -5.49454484      0.13439238      3.35614345
  H     -3.50093350      5.54102196      3.11311502
  O     -3.31611876      4.83413103      2.50064557
  H     -3.98473002      0.05586346      3.04570916
  H      3.27805289      3.29011519      0.92911140
  O      3.08899979      3.78950562      1.74513552
  H     -0.50289875      1.42301125      2.87922102
  H      3.85753674      4.32444207      1.92534107
          69
 Energy    -248.50592231634931     
  O     13.64872162     13.66077764    -15.11073410
  H     14.46097090     14.16424399    -15.23875577
  H     15.82551114      6.93879458    -15.68552423
  O     18.27702018      7.18552376    -13.60198454
  H     13.74541668     12.85085600    -15.62953445
  H     17.43700662     10.96889833    -14.06277837
  O     18.56565345     11.21420597    -10.58381506
  H     18.45516106      7.68996811    -14.40443278
  H     18.79355677     11.69581111    -14.06650396
  O     17.13687504     14.44252890    -12.90946141
  H     17.60666668      6.53728875    -13.84941993
  H     16.61647817      9.99596378    -12.31440625
  O     16.07509665      5.55362607    -14.47875864
  H     17.83140035     11.48204556    -10.01892782
  H     15.85261579     11.36984662    -12.41428135
  O     14.34583157      9.75648883     -9.78459577
  H     18.38881445     10.29181374    -10.81563691
  H     14.12184327     10.57736573    -17.08462308
  O     14.46300401      6.76428878    -12.70332789
  H     17.96827876     13.95374693    -12.91536349
  H     14.08919835     10.61621077    -15.54917475
  O     12.74684615     13.24399548    -12.61556021
  H     16.90205595     14.63459381    -13.82630444
  H     16.95505478      8.22618356    -10.92806595
  O     14.26891225      9.07720859    -18.12553874
  H     15.46751240      5.90553511    -13.80180118
  H     17.90645464      8.17597384    -12.16049696
  O     15.48864362      7.38065175    -10.14694685
  H     15.95023222      4.60928546    -14.50006855
  H     14.43057805     13.11624091    -11.88365252
  O     18.37679456      8.80267625    -15.96789757
  H     14.91356604     10.49577438     -9.54217443
  H     15.93527270     13.54990578    -12.03473067
  O     15.74862683      7.79288235    -16.13034360
  H     13.77552776     10.04504257    -10.51213564
  H     20.32478658     13.03454362    -12.46030918
  O     18.21257818     11.15609683    -14.61489811
  H     14.77137444      6.93925053    -11.80484183
  H     19.14984117     12.20302055    -11.89872592
  O     16.15399672     10.60024405    -12.91259818
  H     14.22064644      7.61559557    -13.08372368
  H     16.02682014     12.55460169     -8.50124166
  O     14.18037835     11.17765689    -16.32821824
  H     13.02459258     13.41650543    -13.53348341
  H     15.82691618     12.38885518    -10.02681782
  O     17.59212124      8.74042371    -11.43847166
  H     12.01842203     13.83104650    -12.43318196
  H     17.29922655     12.00756551    -15.97555662
  O     15.32957168     12.94102365    -11.58314483
  H     14.78236069      8.52526367    -17.51489217
  H     15.87643702     11.95797654    -16.58026093
  O     19.44491274     12.72931309    -12.66423160
  H     13.70967489      8.47933163    -18.61559284
  H     12.68547588     11.38748327    -12.23321816
  O     16.14159457     11.93966240     -9.22137588
  H     15.03056438      8.22228845     -9.96032345
  H     13.07323355     10.01777133    -12.82195312
  O     16.71264898     12.44141011    -16.60869763
  H     15.44385372      6.85842232     -9.35125724
  H     16.37290380     15.57499904    -16.18689127
  O     12.80805197     10.45718828    -12.00681503
  H     18.98450663      8.87348176    -16.69980705
  H     16.44570565     14.03925052    -16.00682348
  O     16.21920637     14.87441446    -15.55877587
  H     18.39072756      9.65982533    -15.50950478
  H     14.68433633      8.71351022    -14.89442758
  O     14.22988519      9.23630779    -14.22001634
  H     16.63466358      8.17984284    -16.13225991
  H     14.91837165      9.72020954    -13.73188506
          69
 Ord_Energy   -248.505905    
 O    1.51003802       12.1052351      -9.83135700    
 H   0.605371714       11.8988304      -9.55286884    
 H    1.50402367       13.0487175      -10.0505762    
 O    2.92467427       8.08915520      -9.01057053    
 H    2.47768664       7.39536238      -8.50968838    
 H    2.91379714       8.90660381      -8.49541473    
 O   -1.02872837       7.43928766      -7.78132439    
 H  -0.726814210       8.31923485      -7.50984526    
 H  -0.247951508       6.87734461      -7.78849220    
 O    2.65797448       9.09322548      -13.0697384    
 H    2.37813878       8.47239304      -13.7516203    
 H    3.33404589       8.64509583      -12.5383101    
 O   -1.63815033       9.57664585      -10.6835070    
 H   -2.23469734       8.89000416      -10.3638706    
 H  -0.750634670       9.18471813      -10.7095404    
 O    1.52143824       11.5235453      -12.5910168    
 H    1.56359947       11.6251755      -11.6303730    
 H    2.03877902       10.7419682      -12.8295937    
 O    1.36998403       5.89082193      -8.12689304    
 H    1.14285231       5.70520878      -9.05456543    
 H    1.52967644       5.04976273      -7.70633125    
 O  -0.711740494       7.84122324      -13.9586821    
 H   -1.18387151       7.31419611      -13.2978430    
 H  -0.926468670       8.76749611      -13.8021946    
 O   0.765114903       5.74652243      -10.8020344    
 H    1.42863989       5.47070360      -11.4463015    
 H   0.702982724       6.71186209      -10.8772039    
 O   0.964153111       14.6598272      -10.6793747    
 H    1.69298202E-02   14.6123819      -10.4963551    
 H    1.04116416       14.6372252      -11.6413937    
 O   -1.71179116       13.3446741      -12.9930744    
 H  -0.863241196       13.6936674      -13.2941160    
 H   -1.67919242       12.3943377      -13.1628332    
 O   -2.98823977       7.38072681      -9.62485313    
 H   -3.82726097       7.23634624      -9.19691372    
 H   -2.30731010       7.35771132      -8.92660999    
 O    2.73981667       5.34198904      -12.7542334    
 H    2.38022709       5.87512350      -13.4821224    
 H    3.13401318       4.56842852      -13.1503077    
 O    2.68213916       10.6147976      -7.85249472    
 H    3.23967957       11.1637173      -7.30664110    
 H    2.36304307       11.1773081      -8.57907581    
 O    4.21534348       7.51632786      -11.4659233    
 H    3.82661772       6.68922329      -11.7731323    
 H    3.88823700       7.65990353      -10.5669813    
 O   -1.10022748       10.5785379      -13.1883926    
 H   -1.43005311       10.2575455      -12.3351049    
 H  -0.197770864       10.8873940      -13.0284672    
 O    1.68386769       6.99875450      -14.7222195    
 H   0.778734863       7.27020979      -14.4740324    
 H    1.70957708       6.96693182      -15.6743631    
 O   -1.79291880       6.23342657      -11.9545641    
 H   -2.30371451       6.56326866      -11.2053099    
 H   -1.00156546       5.83954954      -11.5677948    
 O   -1.12989962       11.7314920      -9.07570839    
 H   -1.47699261       12.5527430      -9.44441128    
 H   -1.41889572       11.0049820      -9.64900208    
 O   0.907811344       8.53295135      -10.8855581    
 H    1.38417804       8.74398136      -11.6976891    
 H    1.57007301       8.48226357      -10.1831646    
 O   -1.86254084       14.1077175      -10.3930540    
 H   -2.58014822       14.7228880      -10.2676983    
 H   -1.88750386       13.8342218      -11.3276148    
 O    1.01114309       14.0555668      -13.4901648    
 H    1.26894474       13.1474543      -13.2529783    
 H    1.54955471       14.3090734      -14.2350760    
 O   -6.92476407E-02   9.95858383      -7.16610479    
 H   0.869171798       10.1569881      -7.24872875    
 H  -0.525031924       10.6361971      -7.68387127    
          69
 Energy    -248.50587143164748     
  O     -1.58633245      3.70047285      2.72391086
  H     -1.14173363      2.96195283      3.15717945
  H      0.85202567      1.38673021      0.77658801
  O     -3.04446449      5.66760424     -0.73199760
  H     -2.04315590      3.35683966      1.94235079
  H      0.51822422      4.57936111     -2.06657590
  O      3.95104570      6.20474922      1.12654314
  H     -2.13828289      5.77012331     -1.07004217
  H      0.84435158      3.12506207     -1.68796207
  O      1.57732624      7.27606643      2.26536581
  H     -3.11455609      6.31005646     -0.01703245
  H      0.69293143      8.45397138     -0.90806358
  O     -0.45985309      5.89186193     -1.40254523
  H      3.62886013      6.10738724      0.21102799
  H      1.14943266      8.91285563     -2.31595997
  O      0.26663621      5.08044560      1.10406573
  H      4.86290351      6.47629246      1.06964158
  H     -1.11568405     -0.19227637     -3.43292726
  O     -2.70190709      7.58727148      1.35354506
  H      1.44976947      7.06516943      3.19975543
  H     -1.22545884      1.35149237     -3.37331100
  O     -0.17513085      1.87724523     -0.66509969
  H      2.45438007      6.97711968      1.99284217
  H      1.06966667      3.09953116      4.37684534
  O     -1.74936115      6.32517012      3.55965637
  H     -0.17553045      5.61947446     -0.51284139
  H      2.11984289      3.82874041      3.52634372
  O     -2.59023029      3.06356414      0.26540234
  H     -0.00436882      6.71530376     -1.61501306
  H     -3.44905002      4.79656693     -2.29038127
  O     -0.12248362      8.70303805      0.59525554
  H     -0.35651865      4.64341709      1.69856259
  H     -4.10967929      4.67710381     -3.67748389
  O      1.36138682      1.28240516      1.59210125
  H      0.60837322      5.86646102      1.55189441
  H     -1.77921637      3.51426281     -3.73128084
  O      1.10985761      3.84098934     -2.28090467
  H     -3.35000039      8.22505631      1.64379541
  H     -0.24470819      3.33154544     -3.57513561
  O      1.10906262      8.15608883     -1.73813198
  H     -2.37194217      7.14967502      2.15869439
  H     -0.24030905      0.81978454      4.30383795
  O     -1.35147730      0.53227768     -2.86050718
  H     -0.50775943      1.28568925     -1.35192300
  H      0.44858141      1.42107187      3.05356371
  O      1.64474787      3.87342109      4.36691276
  H     -0.94548725      2.34378580     -0.31406153
  H      1.13033925      5.48223855      4.71603039
  O     -3.48897792      4.25018275     -3.09089505
  H     -0.93264462      6.44533126      4.05564233
  H      1.05389543      6.66498655      5.71158376
  O     -1.03029542      2.97202607     -4.00660378
  H     -1.81139120      5.37483487      3.38216041
  H      3.29896546      4.46791045      1.56743407
  O     -0.05638437      1.64156423      3.85818132
  H     -3.08896639      2.47969255     -0.32364136
  H      1.81377984      4.11966649      1.39900784
  O      0.85592075      6.41237414      4.81406619
  H     -2.78333965      3.96773730     -0.01456657
  H     -3.78013364      2.47350783     -2.33635472
  O      2.65518687      3.77026867      1.73043518
  H      0.47606816      8.32842498      1.25780512
  H     -3.04038546      1.13482907     -2.16736738
  O     -3.75226274      1.67252729     -1.79752804
  H     -1.00163627      8.36419592      0.79815321
  H      2.46694555      5.16321446     -1.71123526
  O      2.91878760      5.93780838     -1.35537645
  H      2.00004527      2.00753277      1.59869568
  H      2.37193959      6.70424086     -1.56836708
          69
 Energy    -248.50584752793435     
  O     15.46043593     10.19003608    -13.36150059
  H     15.60574743     11.00864808    -12.86496033
  H     14.57116183     11.90789842    -10.53725126
  O     18.23891760      9.34533274     -4.31986191
  H     14.96117727      9.62029792    -12.76419288
  H     15.49089025      9.34371273     -7.50299331
  O     16.23070029     12.05171841    -11.43734721
  H     18.56893636      9.18631919     -3.43933788
  H     15.14868054      7.86173913     -7.87402160
  O     15.54523280      9.08909067     -4.49726989
  H     17.27251498      9.22058009     -4.28462879
  H     18.93790045      7.36947464    -11.72652521
  O     14.45321347      6.71422160     -9.16554237
  H     16.91226238     12.68718990    -11.19630930
  H     18.15380483      8.19063918    -12.80237854
  O     18.11718560      9.77613809    -13.82666723
  H     16.54209828     11.19779899    -11.09521759
  H     20.78124085     10.22631992    -10.85527323
  O     18.49268085     13.35352042    -10.41501629
  H     15.18425739      9.98377709     -4.54817681
  H     22.16424148     10.02707668    -10.18665174
  O     20.39829055      7.05900486    -10.76521034
  H     15.43766693      8.71657385     -5.38327608
  H     16.74076700     12.08888303     -5.01926260
  O     18.28299315      7.94506016     -6.74897341
  H     13.88297492      5.95763356     -9.06083630
  H     18.00046892     11.21718444     -4.90536114
  O     15.31604844     11.16911853     -7.72062375
  H     15.29572445      6.38474117     -9.53005494
  H     17.15981380      6.40688577    -10.92030273
  O     14.41825734      8.90465715    -10.97310508
  H     18.30400942      9.83207026    -14.76040839
  H     17.60691908      5.84526841     -9.55819898
  O     13.87458604     11.49693548    -10.00689598
  H     17.15716070      9.90334018    -13.72785272
  H     17.71480619      9.70504542     -9.72414140
  O     15.61632288      8.42036847     -7.24212002
  H     18.28896093     13.07941281     -9.50448600
  H     17.40351336      8.88177602    -10.99263711
  O     18.05319626      7.56941353    -12.07228589
  H     18.82050330     14.24780108    -10.36341153
  H     17.90212429     12.40073726     -6.96921163
  O     21.26971325      9.69816476    -10.19672937
  H     20.09222342      6.67449940     -9.93432749
  H     18.39239188     11.49454391     -8.12302322
  O     17.68955211     12.08159884     -5.19836113
  H     20.79878823      7.91032565    -10.54888578
  H     19.89791625      9.79561629     -8.98308232
  O     16.84265520      5.93483453    -10.13829254
  H     17.34252318      8.04920424     -6.96507591
  H     18.93064603      9.21247936     -7.88307594
  O     17.05661224      9.57656731    -10.41586596
  H     18.41426397      8.35482315     -5.88493766
  H     18.88995624      6.61117748     -7.76543903
  O     17.91408807     12.31739630     -7.93342126
  H     16.16733008     11.59052490     -7.89106124
  H     19.46839243      5.18834443     -7.92848359
  O     19.06950688      9.93472118     -8.50817922
  H     14.74236550     11.32440190     -8.48525947
  H     19.17523582     10.78365559    -12.52940695
  O     19.16632159      5.94902724     -8.41955280
  H     14.21660137      8.11581404    -10.45889350
  H     19.32121018     11.92102781    -11.47754493
  O     19.77929131     11.17991800    -11.89020322
  H     15.32034015      9.14546295    -10.70885570
  H     14.09178222     12.35672786     -4.98541858
  O     14.83310694     11.76743856     -5.09593173
  H     13.80615410     10.59458276    -10.34797821
  H     14.90642143     11.58540857     -6.04943403
          69
 Energy    -248.50581399775970     
  O     -1.56095665      4.47546709      4.81082552
  H     -1.16455439      3.69499662      4.39224969
  H      0.05172044      2.82553731     -0.08091417
  O      0.92908477      0.69886039      1.88675510
  H     -0.92807721      5.18100733      4.70022987
  H     -4.54245002      4.77896905      5.86615196
  O     -2.45967291     -1.30973161      3.33732187
  H      0.97584044      1.14606914      1.03332493
  H     -3.28782751      4.30698317      5.09448242
  O     -3.83190976      1.46498937     -0.03456148
  H      0.52700062     -0.16208432      1.71016318
  H     -0.84471333      3.42150205      1.85956864
  O     -2.70426577     -2.00447349     -1.95480224
  H     -2.63430122     -0.39237293      3.07319994
  H     -1.83582211      4.01783090      0.83211961
  O     -0.67946887     -1.55282465      1.25040607
  H     -3.30633848     -1.75672481      3.21455466
  H     -5.80540690      3.00396549      2.55625353
  O     -6.30645935     -0.46109293      4.74773842
  H     -2.99601726      1.09331930     -0.35293749
  H     -4.99418317      3.97573127      3.46300519
  O     -6.57989020      1.36837001      2.53825470
  H     -3.77324000      2.42763041     -0.05499940
  H     -1.56070063      1.91619704      3.15697727
  O     -1.47383400      0.23540894     -0.74953546
  H     -2.28366274     -1.17021971     -1.71044166
  H     -0.02170154      1.72009332      2.99451510
  O     -5.72149226     -0.43819681      0.52954419
  H     -2.25363075     -2.68402773     -1.43735803
  H     -4.24006452      4.11416421      1.21397543
  O     -4.22130300     -3.89498911      0.79074182
  H     -0.85656655     -2.39077299      0.80591658
  H     -4.01693661      4.95246423     -0.06677288
  O      0.55439820      2.15883201     -0.58282314
  H     -1.25488244     -1.53703127      2.02934919
  H     -5.28014279     -1.48051437      1.98033809
  O     -4.23896267      4.14627382      5.22005050
  H     -5.60786916      0.16126108      5.01820818
  H     -5.55491878     -1.65634671      3.48782194
  O     -0.90246031      3.82422057      0.98622177
  H     -6.84588288     -0.62084519      5.51753261
  H     -1.87932976     -0.39576884      4.92862446
  O     -5.26450995      3.80809342      2.55416506
  H     -6.65767240      0.78686724      3.30266342
  H     -1.16847146      0.96090122      5.04351066
  O     -0.69552928      2.25058186      3.44539681
  H     -6.44787862      0.78105226      1.78293467
  H     -3.45804416      1.02492664      5.47148644
  O     -3.66169727      4.22474578      0.43649563
  H     -1.22080811     -0.36255015     -0.03066824
  H     -4.35693836      2.29986063      5.36807322
  O     -5.08587388     -2.04814541      2.74156588
  H     -0.75846168      0.87670407     -0.83910295
  H     -4.41507455     -2.23702702     -1.68332682
  O     -1.76181194      0.36634603      5.51339370
  H     -5.73173027     -1.09923440     -0.17303690
  H     -5.79348412     -2.71639440     -2.19872095
  O     -4.34957026      1.34151650      5.26230521
  H     -5.08326654      0.23802758      0.25618512
  H     -2.53671639     -3.92470281      0.31759265
  O     -5.33118524     -2.43234890     -1.41500496
  H     -4.53930847     -3.41996737      1.56914454
  H     -1.30958972     -4.74958806     -0.13742259
  O     -1.63585557     -3.85831864     -0.04780762
  H     -4.70570062     -3.52268273      0.04298095
  H     -3.80923522      1.42310208      3.28460596
  O     -3.10255577      1.27165778      2.64778944
  H      1.17849654      2.63214345     -1.12574875
  H     -3.45671078      1.36849462      1.75679978
          69
 Energy    -248.50581258731978     
  O     -0.41229445     11.71689898      1.45832125
  H     -0.12672560     11.77145903      0.53146694
  H     -1.20083744      7.99822967      0.27394822
  O     -0.64040943     14.60758548     -1.09219990
  H     -1.32339040     11.39403895      1.43466440
  H      3.28912116     10.98964018      4.86988067
  O      0.10098938     10.12643068     -3.11182916
  H      0.04823699     15.16363996     -1.48797164
  H      2.89830521     12.09750906      3.86183471
  O     -2.33714621      9.17421645     -2.37393079
  H     -0.29492205     13.70135198     -1.08935025
  H      0.95066694      8.62230112      0.94940793
  O      2.90132696     14.83960373      0.12827432
  H     -0.74758629      9.69821357     -2.91657262
  H      1.04473353      8.09337500     -0.49383993
  O      2.53128356     13.77974976      3.53143121
  H      0.80922621      9.54022787     -2.82247380
  H      4.73001690     11.11416715      1.06534147
  O      4.89830659     14.33931583      1.99891058
  H     -2.86998466      9.96327520     -2.21595583
  H      4.53315518     11.36026352      2.57526044
  O      1.72114158     10.05336414      1.84569099
  H     -2.32508404      8.69313928     -1.53652762
  H      2.68906496     13.92210048     -4.86202571
  O      0.40522482     12.02273903     -1.11221972
  H      3.65446830     14.78922776      0.73012296
  H      1.40469042     13.39416642     -4.18270662
  O     -0.13019907     12.59524409     -4.38974702
  H      2.10801369     14.65803058      0.65164914
  H      3.43344911     11.14262834     -0.74317802
  O      0.51692409     14.31046232      1.54734212
  H      1.78758893     14.06740835      2.98854607
  H      2.88176482     10.27137190      0.44343692
  O     -2.17239585      8.02203840      0.20958646
  H      3.32766747     14.11565973      3.10092386
  H      2.78351134      7.92919163     -2.36008961
  O      3.20197372     11.17511581      3.93897104
  H      5.03157902     13.38119513      1.88436203
  H      2.75702023      9.14948960     -1.41447000
  O      0.52864033      8.02546623      0.31688953
  H      5.74218506     14.70987980      2.24182258
  H     -1.86550726     14.14897394     -2.26812216
  O      5.05627576     11.63226504      1.80978211
  H      2.20606471     10.31304121      2.63746075
  H     -2.82273834     14.47721680     -3.43595665
  O      2.26864330     13.81031315     -4.01357079
  H      0.94013770     10.62532215      1.79786981
  H     -3.28014609     12.33962191     -2.14896100
  O      3.53738090     10.30270195     -0.27045604
  H      0.19309394     11.35640317     -1.77740920
  H     -4.65668338     11.71930506     -1.84315949
  O      2.20123191      8.57490950     -1.96675697
  H      1.33770728     12.24320276     -1.23380981
  H      3.09485257     13.44985696     -0.98405819
  O     -2.43331201     13.75275943     -2.95169709
  H     -0.92991860     12.94595957     -3.98496913
  H      2.90842131     13.01479594     -2.46879037
  O     -3.71854181     11.59200602     -1.71585429
  H     -0.05365897     11.67844756     -4.08699582
  H      2.14143678     15.70709495     -1.39620772
  O      3.06183577     12.68302800     -1.57473498
  H      0.17797635     13.41069686      1.67444186
  H      1.83708298     15.28562599     -2.84962916
  O      1.55472387     15.88163005     -2.14463028
  H     -0.01528773     14.67269641      0.82982149
  H     -3.19236822     11.05435975      0.08428485
  O     -2.88899461     10.68592170      0.92197613
  H     -2.48943483      7.19229040      0.55565573
  H     -2.70696313      9.75271052      0.74816112
          69
 Energy    -248.50576442998468     
  O     14.44979808     10.29163957    -16.14157203
  H     14.91930721      9.95452333    -16.92632147
  H     20.94029820      7.07473442    -15.18913605
  O     14.99488164      3.68054301    -16.18839733
  H     13.82926650     10.94436635    -16.45760401
  H     17.35188420      7.75707867    -16.53773327
  O     17.18663576      7.18414075    -11.49499254
  H     14.77559992      3.76415397    -15.25203054
  H     18.87136847      7.98790409    -16.61152990
  O     17.43134213      5.88934929    -18.84298420
  H     14.57251062      4.43954476    -16.61607801
  H     15.44309610      6.63836868    -16.00733215
  O     12.96125082      5.84473711    -10.59519376
  H     17.79362435      7.75251421    -11.99177300
  H     15.81174604      7.39181182    -14.68318134
  O     14.37896122      4.32419961    -13.51352726
  H     17.20688497      6.30357953    -11.89926415
  H     13.23427216      8.72227594    -15.70138102
  O     15.25388853      8.29524385    -13.14447549
  H     17.80058194      6.59634715    -18.29762163
  H     12.61905818      7.57369965    -14.85130909
  O     18.27321545      5.19750035    -15.10427091
  H     17.48345014      5.07845168    -18.32367164
  H     15.92897941      4.62371193     -9.75464529
  O     13.60940291      3.07837795    -11.10377544
  H     13.77170348      6.12373975    -10.15227817
  H     16.56608958      3.94541532    -10.97912735
  O     18.59254277      8.80906529    -13.21451268
  H     13.03313031      4.88659466    -10.68592393
  H     13.46354853      6.72931298    -16.74444852
  O     17.48270557      3.53714325    -17.18958898
  H     13.88043677      5.15271662    -13.51150810
  H     14.30385445      6.41868999    -18.03204447
  O     20.01923499      7.32215185    -15.19777185
  H     14.03691048      3.79414146    -12.78240318
  H     17.58765596      4.70492158    -13.44514372
  O     18.06027899      8.07238482    -17.12294847
  H     15.87493268      7.92631732    -12.50144738
  H     16.10795689      4.57979387    -12.99790650
  O     16.17510286      6.94522068    -15.45555359
  H     15.59094223      9.16229084    -13.39791669
  H     16.15634292      6.82290467    -10.07934859
  O     12.66035447      7.95013230    -15.74205523
  H     18.16179936      4.53374088    -15.79640060
  H     15.71337651      6.96444919     -8.60716481
  O     16.07061522      3.76295513    -10.16902305
  H     17.50162687      5.78408968    -15.17507991
  H     15.93406277      6.53992520    -19.43997997
  O     14.09654849      6.11236184    -17.14183121
  H     13.28866340      2.23770592    -10.78978948
  H     14.86920966      6.78434084    -20.53878531
  O     17.01421523      4.68295485    -12.67009011
  H     14.48860112      3.21335312    -10.70707038
  H     12.81083298      6.50735981    -12.29034238
  O     15.54265853      6.47753260     -9.40974997
  H     19.13368147      8.38134316    -13.88926456
  H     13.75067989      7.38253101    -13.14807345
  O     15.08644668      6.98183543    -19.63214017
  H     17.99852776      9.40960974    -13.67792797
  H     16.52915949     11.48347950    -14.00934819
  O     13.00132304      6.76949502    -13.20240176
  H     16.57248842      3.52794446    -16.83746448
  H     15.78501118     10.51673744    -14.95384220
  O     16.45094477     10.56251434    -14.24814997
  H     17.66242172      2.65843188    -17.51162712
  H     15.50843117      8.63993447    -18.80906966
  O     15.84141468      9.35360176    -18.25145798
  H     19.50547708      6.49818394    -15.14055768
  H     16.72204977      9.07404538    -17.96663576
          69
 Energy    -248.50571568858408     
  O      1.13247907      1.31085378      5.00360385
  H      1.60703845      1.80777335      5.66534881
  H     -3.38581402      1.57896593      4.51608582
  O     -1.14885449     -0.13018110      6.06400731
  H      0.53070334      1.93968486      4.56395685
  H      0.16673197      1.64549829      0.74918327
  O      0.15525154     -1.36857412     -0.99372651
  H     -1.09527620     -1.08783408      5.95492080
  H     -1.22826258      2.26894028      0.39891514
  O      2.19913329     -3.38203513     -0.34277055
  H     -0.32563907      0.24443634      5.72986555
  H     -2.84958172     -0.62570438     -0.99148784
  O      3.84368750     -1.91697104      1.44831748
  H     -0.13926990     -2.04017885     -0.36458146
  H     -1.42722755     -0.52034331     -1.55956392
  O     -4.20828504      2.53727121      1.53139605
  H      0.64160364     -0.70550316     -0.48730652
  H     -2.42862843      0.13641391      3.08829203
  O     -3.39336994     -3.27957800      3.91670028
  H      1.77723729     -2.70304777     -0.88067748
  H     -1.50808780      0.61629327      1.92388629
  O     -0.54877521      2.98033019      3.71945067
  H      2.81461835     -2.91521070      0.23954794
  H     -0.14720131     -3.09776058      1.68393364
  O     -5.55356957      0.11266178      1.60106072
  H      3.32720086     -1.40234656      2.08584758
  H      0.60077440     -3.73249376      0.47721085
  O     -5.30293904     -1.18563051      4.16184793
  H      4.64120987     -2.17522527      1.90554512
  H      1.35614768     -1.05348857      3.03203875
  O     -2.55531519      2.45566398     -0.83881356
  H     -4.74467182      1.73036695      1.53993276
  H      1.87340251      0.24620510      3.68130806
  O     -3.33786181      0.62313532      4.63920930
  H     -3.72613111      2.54232070      0.69852090
  H     -3.67312706      3.09429983      3.05222517
  O     -0.63356609      2.03421754      1.12323135
  H     -3.29518249     -3.58981234      3.00912475
  H     -3.87835967      4.07611128      4.23192412
  O     -2.30028482     -0.10966245     -1.59805285
  H     -4.10881356     -2.63169317      3.92421923
  H      2.51807383      0.70495437      0.02516291
  O     -1.90399618     -0.16280167      2.33481218
  H     -0.51934547      2.76087265      2.77715366
  H      1.81396432      0.29142276      1.33160389
  O     -0.27769478     -3.57085999      0.84859078
  H     -1.47120818      3.19231711      3.90200142
  H     -2.04778489     -3.08194813      4.96934195
  O      2.05741912     -0.38536741      2.97534842
  H     -5.62797135     -0.32635076      2.45580351
  H     -1.13241966     -3.67794917      6.06732950
  O     -3.36550109      3.32426150      3.94980422
  H     -4.98683354     -0.46850484      1.07543314
  H     -0.74899100     -1.38665819      2.85841652
  O      1.65710552      0.60277558      0.42546876
  H     -4.63636001     -0.51453464      4.39413028
  H     -0.37295923     -2.42880483      3.95419859
  O     -1.23138060     -2.93235108      5.48209083
  H     -5.96543596     -1.16303480      4.84807334
  H     -1.96898194     -4.01446995      1.02799027
  O     -0.08534458     -2.04653786      3.11666016
  H     -2.71487104      3.01815475     -1.59136719
  H     -3.17815633     -4.95215113      0.80354173
  O     -2.91844179     -4.12865902      1.20874703
  H     -2.49609564      1.54311603     -1.17681993
  H     -3.43544323     -2.41630639      0.64916239
  O     -3.53366743     -1.47127685      0.49001027
  H     -2.59346689      0.42141477      5.22689539
  H     -2.96618611     -1.02254234      1.13591057
          69
 Energy    -248.50522468295196     
  O      3.10238072     -1.49404207     -2.54842993
  H      3.80852598     -1.70797855     -1.90994654
  H     -0.52584907     -6.20818695     -3.18755890
  O     -0.99756416     -3.68918475     -1.41995567
  H      3.51963746     -1.04552895     -3.27881900
  H      3.87783702     -5.00883808     -0.20938426
  O      2.41208653     -6.23113894      3.53472904
  H     -1.54597995     -4.26717133     -1.96382978
  H      2.48653267     -5.66868169      0.11277299
  O      4.68247136     -0.47081727      1.60126085
  H     -0.11504844     -3.67850559     -1.81621009
  H     -0.87552418     -4.56031010      0.16116446
  O     -2.05670593     -7.14287127     -0.45629931
  H      2.39397306     -7.01588907      4.07823635
  H     -0.83890404     -4.32440582      1.68313197
  O      1.31267403     -6.70921857      1.06570594
  H      2.03041426     -6.47786265      2.67683028
  H      4.00011781     -5.24545974      3.15816887
  O     -1.22636977     -1.40353263      0.22694282
  H      4.42449097     -0.97129763      2.38393274
  H      4.43002331     -3.77116637      3.20353290
  O      2.39928319      1.26497976      1.33469908
  H      4.01093583      0.21453781      1.49799679
  H     -0.83098217     -2.15894463      1.82999971
  O      1.39725549     -0.59601310     -0.49939656
  H     -1.81137291     -6.48380558      0.20631572
  H      0.54677290     -2.78896056      2.06360045
  O      2.05504175     -2.79760226      1.09637105
  H     -1.26033541     -7.66583657     -0.61152784
  H      1.60677103     -4.62657889      4.26226764
  O      3.33254636     -2.20700396      3.45816396
  H      1.11879952     -7.36442527      0.38320750
  H      0.61604211     -3.45438767      4.05458679
  O      0.41315120     -6.42304416     -3.11923769
  H      0.55374368     -6.10521872      1.09274569
  H      0.55970615     -7.62128682     -1.85366348
  O      2.93397737     -4.99334404     -0.41264877
  H     -1.33048156     -2.13475274     -0.39645016
  H      0.72736131     -9.11182300     -1.47505729
  O     -0.85613430     -5.01808628      1.01579506
  H     -0.40608329     -0.97213707     -0.04800132
  H     -3.19191435     -5.87384479     -3.21605604
  O      4.71594592     -4.64587099      2.91433468
  H      1.92062525      0.82022523      2.05716334
  H     -2.36749617     -6.28886220     -1.97218325
  O     -0.31249247     -2.64137615      2.49343679
  H      2.31555006      2.20273266      1.48507071
  H      5.35008023     -4.66908317      1.30234880
  O      1.36344840     -3.75087864      4.58799399
  H      1.94910937     -0.76350105     -1.27343124
  H      6.44016836     -5.08554837      0.28484574
  O      0.52874805     -8.25284859     -1.11229278
  H      1.78290156      0.13706300     -0.00165402
  H      2.00006979     -0.77101867      3.55576674
  O     -2.35009165     -5.75366622     -2.78572429
  H      1.86418784     -2.05157714      0.51176625
  H      0.53322981     -0.86313315      3.13492205
  O      5.58246086     -4.67596314      0.35625062
  H      2.39314019     -3.51988624      0.55641483
  H      2.03751781     -3.07052485     -2.68619090
  O      1.24339196     -0.23256764      3.29191493
  H      2.97889462     -2.37818161      2.56754640
  H      2.08583460     -4.33366239     -1.80622959
  O      1.57466089     -3.89610778     -2.50548060
  H      2.75037817     -2.69978514      4.05719853
  H      4.92669714     -1.46892483      0.09909633
  O      4.96432858     -2.04036054     -0.68216721
  H      0.87554126     -5.57678241     -3.07180255
  H      5.25963320     -2.90255716     -0.37331708
          69
 Energy    -248.50520141531115     
  O     13.13624507     13.11974188    -14.58154701
  H     12.81191183     12.34574178    -15.05895267
  H     16.81184684     10.55548382    -14.58330845
  O     18.17025420      6.77296412    -14.18097798
  H     13.81275107     13.50966625    -15.14735446
  H     14.57720527      8.56840315    -18.29513632
  O     19.29274820     11.04144255    -12.21579457
  H     17.40261839      6.35909447    -13.76765725
  H     15.40916186      8.62036750    -19.59933022
  O     17.05516326     14.08572149    -14.04924529
  H     17.85481432      7.13033026    -15.02072628
  H     15.34908945     11.16058881    -12.76637538
  O     15.75859782      6.06207482    -12.78012938
  H     19.33122429     10.07916231    -12.20398256
  H     16.08138085      9.79000412    -12.52719642
  O     15.37213952      9.89505738     -9.42787974
  H     18.65248010     11.30412961    -11.53778740
  H     13.68349929     10.84335494    -16.32189098
  O     14.17267077     12.44683804    -12.14164712
  H     17.83700031     13.55549777    -14.24729987
  H     12.93166689     10.13867350    -15.15199583
  O     13.17624911      8.14836421    -17.35076227
  H     16.48347475     14.04052256    -14.82411778
  H     19.96332383      7.71941748    -11.75964987
  O     16.50608589      8.32849607    -11.40843992
  H     15.92885364      6.86372545    -12.25669379
  H     18.92748597      7.71533920    -12.90776456
  O     16.89123729      8.05339742    -16.36232982
  H     15.54005178      5.37034399    -12.16087109
  H     16.32035914     15.07950963    -11.15716089
  O     14.56687795      6.98920425    -15.15330601
  H     15.11694352      9.84035360     -8.51115905
  H     16.56034407     14.18663078    -12.39871668
  O     17.34188691     10.59019098    -15.39659972
  H     14.54846798      9.95137342     -9.94617553
  H     19.32904851     11.92214135    -13.66377158
  O     15.42008409      8.87130132    -18.67993932
  H     14.77383115     13.13973095    -11.84569729
  H     20.17230169     12.64411115    -14.74530211
  O     15.79543204     10.42034640    -13.19944791
  H     13.75362110     12.74217951    -12.96473923
  H     16.65631625     11.25763192    -10.00398076
  O     12.80503710     10.64003203    -15.97175034
  H     13.48590943      7.60217326    -16.61622196
  H     16.97146710     12.62459483    -10.66208347
  O     19.21465892      8.19499171    -12.11057531
  H     12.82925224      8.95865791    -16.95579386
  H     16.07775690     11.06486113    -16.53598842
  O     16.24724041     14.18416836    -11.47544440
  H     17.47093543      8.34640829    -11.46308440
  H     15.37349477     10.56600035    -17.81723971
  O     19.28293812     12.38605309    -14.52184797
  H     16.22095792      8.78641256    -10.60692081
  H     13.39454713     11.02310855    -11.33281724
  O     17.36540944     11.78925289    -10.38055047
  H     17.13864332      8.92178585    -16.00926524
  H     13.05961748      9.61149809    -11.83144586
  O     15.35440932     11.26282637    -17.15134675
  H     16.53143204      8.21798668    -17.24150281
  H     15.21648340     14.50666803    -17.03251053
  O     13.20273931     10.12261663    -11.02683540
  H     14.87272974      6.52486144    -14.36440530
  H     15.30856689     12.99860654    -16.71284064
  O     15.29868047     13.88417271    -16.31373878
  H     15.36138375      7.36175298    -15.56257968
  H     13.67733418      8.29360587    -14.17694601
  O     13.41236819      9.10093206    -13.71867477
  H     18.08790846     11.17382881    -15.22142743
  H     14.23821868      9.58295249    -13.56164286
          69
 Energy    -248.50518160677541     
  O     16.05108009     11.81458830    -15.29297598
  H     16.25104221     11.37251269    -16.12422189
  H     15.43591948      5.56727205    -16.37610054
  O     12.73395786      6.48409616    -14.80703188
  H     16.90408649     11.94495906    -14.85924688
  H     16.05872348      9.86424774    -17.89833610
  O     18.88211754      7.31083455    -12.47111949
  H     11.90470671      6.02600802    -14.91216533
  H     16.77422092      9.38858716    -16.61801841
  O     17.31601925      7.16509695    -18.45709923
  H     13.34712007      6.11671648    -15.47159926
  H     15.30715419      8.63614376    -15.28015792
  O     14.73722079      6.72536697    -19.20139944
  H     18.24331037      6.63992648    -12.75323855
  H     16.60404703      8.89323848    -14.42312671
  O     15.90023608      7.99720387     -9.59379055
  H     18.91710930      7.25342002    -11.50790775
  H     14.62924323     11.45101550    -14.31946221
  O     14.45152784      6.62361043    -12.60108378
  H     17.45820800      6.66509242    -17.64326277
  H     13.31832928     11.97690373    -13.69192551
  O     17.40575310      9.58563588    -12.91835903
  H     17.37347448      8.09778472    -18.21999113
  H     16.31503700      4.76535232    -10.25466674
  O     17.26707657      6.01330539    -15.83214249
  H     15.68928164      6.85280873    -19.03820171
  H     17.74930371      5.30756165    -10.16353073
  O     14.54677151      5.53302904    -10.07617820
  H     14.65536489      6.36822263    -20.08175371
  H     13.11155788      8.26119289    -15.27085109
  O     19.41507066     10.21383261    -16.14057305
  H     15.50092034      8.56422207    -10.26442763
  H     13.45294879      9.76351273    -14.95019653
  O     14.50423904      5.59615524    -16.62037522
  H     15.37924967      7.18381611     -9.59313282
  H     19.05969696      6.95230793    -15.52995802
  O     16.90778677      9.90066189    -17.43206093
  H     13.81624213      6.54618874    -13.32272844
  H     19.62427282      7.52516754    -14.22957866
  O     16.24850990      8.43766015    -15.19628138
  H     14.57697787      7.56526890    -12.41453400
  H     17.11398229      4.92559742    -12.31316814
  O     13.84344744     11.18893179    -13.80599959
  H     18.01894247      8.85854298    -12.74207288
  H     16.09353919      5.82368380    -13.04720971
  O     17.22384025      4.58380152    -10.52625498
  H     17.90588642     10.35344929    -13.21971449
  H     17.58431096      7.47473195     -9.63641189
  O     13.55029714      9.05549768    -15.59947053
  H     16.90274005      6.89445736    -15.63304478
  H     18.93261347      7.28103106     -8.90327860
  O     19.67730473      7.60736524    -15.19046706
  H     17.26989044      5.54959481    -14.98392983
  H     14.40753053      9.96766002    -12.43291143
  O     16.94895406      5.38528644    -13.14918164
  H     13.72844263      5.11895038     -9.81495190
  H     15.82958525      9.43279652    -12.20167623
  O     18.46794315      7.07247742     -9.70928857
  H     14.42658894      5.84656295    -10.98882266
  H     19.00874241     11.25371996    -14.85079116
  O     14.90171718      9.29933476    -11.94630165
  H     18.69316477     10.17840617    -16.77932490
  H     19.28697761     12.44711049    -13.90056692
  O     18.64404106     11.77674218    -14.11159018
  H     19.58839278      9.30244483    -15.86062570
  H     13.95221132      9.33882601    -17.42555390
  O     14.34936967      9.42931150    -18.30229440
  H     14.47706578      5.92927009    -17.52674453
  H     14.34629440      8.54325252    -18.68438316
          69
 Energy    -248.50493610531143     
  O     12.47027245     11.49371240    -16.63068216
  H     11.87788232     11.03877232    -16.01462419
  H     16.34879751      5.98278235    -17.92980365
  O     15.35133652      7.31756298    -13.05999796
  H     12.90836242     12.19716468    -16.14058582
  H     17.36548785      9.25331354    -11.44094096
  O     14.68024899     11.88246921    -10.74325139
  H     15.27325755      8.15013535    -13.55274202
  H     17.69294912     10.69827140    -11.90085344
  O     16.56002125     12.92930201    -14.35441131
  H     15.75955064      7.51878591    -12.20887139
  H     17.01659411     10.31197802    -16.68995257
  O     13.65815252      7.91712782    -16.70898656
  H     14.31710799     11.73971653    -11.63047299
  H     17.88507771     10.06872172    -15.40737473
  O     12.60000298     10.61896281     -9.57894088
  H     15.59761225     12.13017691    -10.89512682
  H     15.70969352      9.90364853    -15.06458569
  O     12.60422739      7.39476478    -12.53638902
  H     16.83630347     12.20133819    -14.92894915
  H     14.44853018      9.04330698    -15.39061358
  O     13.55207660     11.35404403    -13.20536275
  H     15.68096950     13.19072202    -14.64941924
  H     10.96990803      9.05200173    -15.04374423
  O     17.27127886      6.71863087    -15.02223318
  H     13.54159783      8.59269537    -17.39144205
  H     10.84893973     10.09708170    -13.93514054
  O     13.66755239      8.02190382     -9.93384589
  H     14.44549883      7.41018856    -16.94844058
  H     16.74215058      7.39460182     -9.89051384
  O     18.93728366      8.92422193    -14.37859206
  H     12.29077418     11.08185050     -8.80536719
  H     15.38989361      8.05804354    -10.22499731
  O     16.08370315      6.75130296    -17.43245740
  H     13.38082711     11.10354510     -9.90481621
  H     11.00857693      6.53712394    -15.59445955
  O     17.91610541      9.76985316    -12.04076489
  H     12.15235799      7.21576585    -13.37030969
  H     12.28894538      7.39465177    -15.72653972
  O     17.20254476     10.63115980    -15.79413125
  H     13.54780998      7.28410435    -12.72318372
  H     17.00178538     12.69217356    -12.69285181
  O     14.91881773      9.49926012    -14.68296309
  H     12.76108482     10.90835958    -12.87839866
  H     17.87941561     13.18558812    -11.52123265
  O     10.85501674      9.99787138    -14.89461526
  H     14.04902032     10.70348873    -13.72308330
  H     15.48809317      9.77743228    -18.37089421
  O     16.32243855      8.00004518    -10.49692607
  H     16.61664287      6.75399218    -14.31213885
  H     16.37171542      8.56714345    -18.01284404
  O     11.53016165      7.20073292    -15.14991934
  H     17.91129712      7.41427276    -14.82630633
  H     11.66717385     10.18625364    -11.19233534
  O     17.25923262     12.50603456    -11.77149943
  H     13.17969126      7.68580078    -10.69536134
  H     11.82899624      9.03483316    -12.21703590
  O     16.39461722      9.52075373    -18.15990416
  H     13.27897942      8.87970058     -9.71944082
  H     13.32256406     14.20335651    -14.64698163
  O     11.45629658      9.92118207    -12.09597560
  H     19.88847582      8.94399411    -14.31823779
  H     13.64101072     12.74273942    -14.24796531
  O     13.78002019     13.41767191    -14.93699793
  H     18.59381538      9.21496486    -13.51324767
  H     13.16494550     10.19596785    -19.36750606
  O     13.59277741     10.01030530    -18.53654160
  H     16.54819767      6.70622724    -16.57685547
  H     13.19462995     10.60903431    -17.87659584
          69
 Energy    -248.50468900617199     
  O     14.09092219     13.17460656    -13.80953991
  H     15.05230333     13.22257105    -13.82010122
  H     16.04556693     11.30243321    -16.97449440
  O     14.54468427      6.83166857    -13.78028619
  H     13.86866051     12.46440047    -14.43167658
  H     15.89302184      9.74181279    -13.55228565
  O     18.13481391      8.45869632    -11.68796703
  H     15.29866224      6.44781015    -13.31110267
  H     14.84306310      9.90173457    -14.68971133
  O     17.70068368      8.77947219    -15.89620966
  H     14.82945018      7.72786761    -14.02454437
  H     12.94730885     12.75220640    -12.58011157
  O     15.03293404      8.94970297     -8.82046611
  H     18.05480788      8.25457779    -10.74800847
  H     11.78632309     13.08003150    -11.60945029
  O     12.91433855      8.09628886    -11.91275901
  H     17.64286875      9.28138829    -11.83160373
  H     16.30121420      5.62918453    -10.98053553
  O     16.62068094     10.69094446    -12.19864494
  H     16.91423272      8.92830334    -15.34537298
  H     16.57098292      6.29735856     -9.62414926
  O     15.68646841      8.08432753    -17.76432384
  H     18.46946219      8.80865205    -15.30793564
  H     11.90970678      9.30823079    -13.01720884
  O     13.48692631      6.65031137     -9.56438101
  H     14.42668305      8.20644204     -8.93012211
  H     11.69083402     10.82971975    -13.00221206
  O     14.82860847      5.78444128    -16.31624684
  H     14.75179495      9.60881307     -9.46843101
  H     20.48242870      8.16041668    -13.92997499
  O     17.55424207      5.89378116    -15.35701929
  H     13.40065794      7.58630913    -12.57527386
  H     19.23835661      8.58448116    -13.13352087
  O     16.84603976     11.48394416    -16.46918005
  H     12.96726354      7.58830689    -11.09334402
  H     17.37866749      6.89388554    -12.36572001
  O     15.50476759      9.30209164    -14.31869930
  H     15.76834782     10.74238641    -11.74071086
  H     17.28631512      5.89255745    -13.55222030
  O     12.32403051     12.36520908    -11.93810931
  H     16.74275776     11.48476097    -12.73465935
  H     17.97590846      7.95303371     -8.18089795
  O     15.97317087      5.68697932    -10.07296552
  H     16.50907465      8.26342949    -17.29077031
  H     16.65951865      8.32620719     -8.90349114
  O     11.62436238     10.04925597    -13.56677140
  H     15.32558573      7.28022927    -17.37142385
  H     14.25480944     10.71473319    -18.81262204
  O     19.67535623      8.66593952    -13.99545792
  H     12.99576500      6.03051462     -9.03191352
  H     14.84640427      9.60251910    -17.91664540
  O     16.96721628      6.06813736    -12.65555484
  H     14.34149807      6.22923206     -9.76932705
  H     13.75314672      9.64516988    -11.37279301
  O     17.51482296      7.87171076     -9.01132856
  H     14.60503861      6.10539231    -15.42677272
  H     13.51689120     11.16709558    -11.20793009
  O     14.46261569     10.49734073    -17.90796660
  H     14.24357923      5.05369980    -16.49950126
  H     16.88172869     12.35535594    -14.92468591
  O     14.14377920     10.45794025    -11.01984497
  H     17.74830895      6.80721601    -15.59598735
  H     17.60840465     13.44228421    -14.10437680
  O     16.91409665     12.78999736    -14.05459326
  H     16.71433209      5.69303565    -15.78759962
  H     13.58234896     10.75086632    -16.26283457
  O     13.53736836     10.94079545    -15.31908567
  H     17.30412735     10.63809222    -16.39332815
  H     12.75691414     10.53923865    -14.90896087
          69
 Energy    -248.50468247355269     
  O     12.03610348      9.94385787    -15.67174201
  H     12.35881089     10.81424363    -15.40940745
  H     15.74610213      5.72224081    -15.99149043
  O     16.41005484      6.73198593    -13.12374061
  H     11.67588183      9.52224885    -14.88181711
  H     16.42885302     12.22514051    -15.83819234
  O     16.39610009     10.81060361    -11.06059949
  H     15.65655965      6.59242245    -12.53381599
  H     15.76958094     11.33713133    -16.92869703
  O     18.01790762     12.48621247    -14.82420845
  H     17.01706571      7.32922703    -12.66863626
  H     14.92253970      8.69401769    -15.32416591
  O     13.83370671      5.74964098    -16.21698953
  H     15.72226481     10.93027036    -11.74779844
  H     15.66870212      8.08282367    -14.09806739
  O     14.80705294      9.43189968     -9.28922852
  H     15.93967776     10.40771353    -10.30867595
  H     10.12671967      8.21622676    -13.36442171
  O     14.20149832      6.60319681    -11.47006816
  H     18.72471484     13.03625858    -15.15365890
  H     11.53218864      7.60973739    -13.58572083
  O     14.43440774     10.88997888    -12.96224638
  H     17.93684422     12.67710114    -13.87392552
  H     18.28904117      7.62170501    -10.61244916
  O     17.77127530      8.17295806    -16.99349006
  H     13.82558995      6.67458287    -16.52083399
  H     18.99240678      6.38143564    -10.04267352
  O     15.65663130      6.68337108     -9.05262144
  H     13.42178019      5.23181154    -16.90451423
  H     13.11732134      6.11692408    -12.97500700
  O     18.10489123      9.67497941    -14.61561875
  H     14.03116953      9.35353713     -9.85983422
  H     13.00758655      5.95761968    -14.51972441
  O     16.67252565      5.90876304    -15.80018519
  H     15.08823822      8.52850520     -9.10278982
  H     18.00470440     13.57101171    -11.47227999
  O     15.60862488     12.06928650    -16.32129276
  H     13.78405105      7.47727741    -11.45838325
  H     17.37442507     12.18448129    -11.66378232
  O     15.41790956      8.91181774    -14.52692520
  H     14.62540107      6.49378590    -10.61010117
  H     18.27974853      9.04023263    -12.87702903
  O     11.05063284      8.44335580    -13.43117364
  H     14.77281894     10.19062198    -13.54517830
  H     17.48819504      9.45484733    -11.61679405
  O     18.24338332      6.95689222     -9.90679866
  H     14.00128606     11.53572512    -13.53058653
  H     16.64581271      9.23738431    -17.74089904
  O     12.51328955      6.18919347    -13.72445791
  H     17.43117366      7.33028694    -16.65715388
  H     16.16020185      9.96369910    -19.01825855
  O     17.83209600     12.90226735    -12.13014131
  H     18.13164299      8.63764173    -16.22852825
  H     13.44141259      9.78492715    -11.93363267
  O     18.04183649      8.75197464    -11.98599186
  H     15.63891157      6.19316768     -8.23458548
  H     12.17403121      8.92032827    -11.99292189
  O     15.97184669      9.84931788    -18.09064025
  H     16.58938747      6.75004657     -9.31948137
  H     12.96696594     13.30965297    -15.13828546
  O     12.94412171      9.11321855    -11.44453936
  H     17.15734407      9.47069777    -14.65984365
  H     14.10712144     12.33170310    -15.51496478
  O     13.28899858     12.42476369    -14.99225465
  H     18.18139341     10.63104913    -14.71591912
  H     13.19768785      8.96066463    -16.53352805
  O     13.91262351      8.38909652    -16.85724673
  H     16.70717920      6.04943863    -14.84442612
  H     14.51472278      8.91320836    -17.39862644
          69
 Energy    -248.50443772603757     
  O     15.95195718      9.25762671    -17.23330120
  H     16.76012231      8.92094100    -16.83250318
  H     15.59890738     11.02070275    -17.38898715
  O     15.17518154      8.99968054    -11.55246358
  H     15.24341011      8.70948970    -16.86976147
  H     12.32801079     12.73742036    -17.47660895
  O     17.89849461     14.79428842    -14.05198350
  H     15.65618146      9.80233899    -11.30868494
  H     13.75777221     12.35198500    -17.01884934
  O     14.03790259      7.86899887    -15.69368513
  H     15.58772632      8.63238110    -12.34499589
  H     18.56797093     11.82134716    -13.18478465
  O     14.00794673      6.62605263    -10.63768281
  H     17.05315644     14.91492561    -13.58261595
  H     18.41708160     13.30373037    -12.85636493
  O     15.19355563      5.20359645    -12.61374516
  H     18.40204885     15.59143053    -13.90663567
  H     12.89863680     12.97120689    -12.69043868
  O     15.50169436     11.41128691    -13.90398699
  H     13.52159696      7.17116911    -15.26505086
  H     12.56722128     11.68586200    -11.89090936
  O     12.60176161      9.80923982    -12.29391800
  H     13.61458063      8.71268749    -15.47822542
  H     18.71659095      7.58271145    -15.70711096
  O     16.09239957      7.56292029    -13.84954935
  H     14.45819346      7.47359266    -10.76629493
  H     17.46366986      7.99639331    -14.89883713
  O     18.13954641     10.96713246    -14.77036842
  H     13.09445081      6.77316326    -10.91278156
  H     12.29516738      6.39082662    -13.38479459
  O     13.16676602     10.35888079    -14.93281522
  H     15.49281562      4.34259486    -12.33569936
  H     13.57369235      5.57826265    -13.65003520
  O     15.38317021     11.96591844    -17.38898285
  H     14.79703488      5.63016392    -11.83243182
  H     14.46451017     14.00547815     -9.51414806
  O     12.84880428     12.52655239    -16.70757471
  H     15.66624394     11.44920702    -12.95287895
  H     13.95095573     13.31372625    -10.80111909
  O     18.56104052     12.44502147    -12.44412586
  H     16.35530421     11.22777441    -14.31310512
  H     17.15707076     11.82499340    -11.51417189
  O     12.71038147     12.63560321    -11.80394326
  H     13.49227531      9.56542150    -11.99984333
  H     15.82523645     12.22653007    -10.80467035
  O     18.10730234      8.30143544    -15.56156502
  H     12.65838353      9.97910016    -13.24578322
  H     13.35833038     13.41624165    -15.11190304
  O     12.82151206      5.99295996    -14.08919004
  H     15.38329885      7.70718785    -14.49497734
  H     14.46380353     12.88934730    -14.17687894
  O     14.74487357     13.66983499    -10.36103236
  H     15.91830532      6.70521844    -13.44018022
  H     11.79476819      8.23822670    -12.01411846
  O     16.29970475     11.49055606    -11.20991272
  H     18.15132054     11.60558905    -15.49428416
  H     10.60856519      7.34059729    -11.59713546
  O     13.79044399     13.58206722    -14.26682087
  H     18.24009939     10.07697969    -15.12793744
  H     15.37156154     14.70117262    -11.86571891
  O     11.51860685      7.31582748    -11.88147920
  H     14.03384688     10.65449662    -14.61039442
  H     14.86594330     14.72513471    -13.31961251
  O     15.56478557     15.05980979    -12.73939995
  H     12.87486566     11.02513466    -15.56512642
  H     18.31181211     13.69282191    -17.03886766
  O     17.78886788     13.24268090    -16.37910061
  H     16.15947142     12.43301205    -17.06565512
  H     17.79255434     13.80734083    -15.58938062
          69
 Energy    -248.50440632777230     
  O     13.04246229      8.24245069     -9.95432004
  H     13.32925519      9.08058424    -10.35652769
  H     15.55582809      7.81659291    -17.26046057
  O     15.18261780      5.30873958    -12.36461532
  H     12.40175121      8.47679343     -9.28625322
  H     18.93940662      6.87495750    -13.05252119
  O     13.84240981     10.67283679    -11.00378392
  H     15.76374585      5.09201960    -11.62436394
  H     19.91671943      6.68527634    -14.23643553
  O     16.53483079     11.74422965    -11.38740836
  H     15.67080049      5.16805952    -13.19080609
  H     16.49390070     10.41231595    -14.34372513
  O     12.62885549      9.24999550    -17.58347229
  H     14.73766034     11.02503349    -10.95189884
  H     15.15905671     11.16179092    -13.98958297
  O     16.82220462      5.11511758    -10.09735226
  H     13.52346185     10.93768169    -11.87594950
  H     16.14883671      8.23397596    -13.37599294
  O     12.84901979      7.05857713    -15.83610639
  H     16.79667761     12.64814248    -11.23223277
  H     15.51197502      7.09515340    -12.51310718
  O     13.32873971     11.09151163    -13.78190770
  H     16.47082027     11.63637425    -12.35104944
  H     12.67211323      6.77207801    -11.13052615
  O     15.38471164     11.55699421    -16.86457966
  H     12.55230969      8.44310477    -17.05712077
  H     13.46115141      5.77944287    -12.02319975
  O     16.66092746      5.32033367    -14.67032716
  H     13.49884797      9.21037435    -17.99901098
  H     11.55155612      4.11394048    -14.24065969
  O     17.09133516      8.75053575    -14.81575052
  H     16.36247504      5.85216146     -9.65441364
  H     11.84934636      5.36182108    -13.40091597
  O     15.53837287      7.19949566    -16.51754332
  H     16.98992012      4.45383072     -9.43160693
  H     17.09152605     10.06679604    -10.71176333
  O     19.00631702      6.87195354    -14.02438543
  H     12.39640379      6.27310408    -15.50400656
  H     16.52230323      8.74750005    -11.25978478
  O     16.11843743     11.26627578    -14.08349528
  H     12.93090014      7.64059403    -15.06590238
  H     18.17164345      6.21193884    -10.92051272
  O     15.59782726      8.05386429    -12.60291535
  H     12.97672165     11.40093327    -14.62494947
  H     18.31552522      7.74130827    -11.02045231
  O     12.57895187      6.15216876    -11.86474733
  H     13.09411039     10.15228149    -13.71653352
  H     14.70657533      7.56518496     -9.31151681
  O     11.64335376      5.06228574    -14.29905731
  H     14.44622305     11.75250776    -16.74593115
  H     16.17477992      8.01658618     -9.39766980
  O     17.11272781      9.11334563    -10.57947701
  H     15.77694707     11.60706325    -15.98562071
  H     15.78087787      9.47325685    -19.23553134
  O     18.68807771      6.90900959    -11.34190450
  H     17.51666167      5.72630353    -14.48580951
  H     15.47687085     10.10682518    -17.85794167
  O     15.60445936      7.30435665     -9.07563977
  H     16.28565592      5.82479457    -15.40316377
  H     12.49426381     10.81664387    -16.83110048
  O     15.39284682      9.29151965    -18.38378867
  H     16.55781673      8.24811328    -15.44882407
  H     11.88168474     12.23757918    -16.81315850
  O     12.55980116     11.69671515    -16.41782406
  H     17.86696379      8.21200126    -14.60973107
  H     12.61407516      7.70814061    -12.95480575
  O     13.03564531      8.41846453    -13.45133736
  H     14.60486239      7.06355628    -16.29932238
  H     13.95715278      8.41090387    -13.14670602
          69
 Energy    -248.50431635622971     
  O     13.81447134      9.35666089    -10.82673098
  H     13.60901324      9.92920366    -11.57857103
  H     13.04086029      7.76743583    -10.39337993
  O     13.35756490     10.00173977    -16.70625721
  H     14.26123731      9.88442931    -10.15357932
  H     18.89557032      8.10851784    -12.75079659
  O     16.28722882     11.04057564    -13.42053140
  H     13.09966220     10.84475115    -16.31238117
  H     18.51142451      8.18619270    -14.23447940
  O     14.19944615      4.41804631    -13.12178420
  H     13.07271091      9.32222621    -16.08286892
  H     13.97080630     12.65258532    -15.43867001
  O     16.36370262      8.10222938     -8.40432875
  H     16.68961392     11.05694177    -12.54117045
  H     12.56472175     13.30196055    -15.43606256
  O     15.70763779     12.63274754    -15.66081252
  H     15.34583082     10.85650392    -13.30759137
  H     12.46595497      7.54584130    -13.99642756
  O     15.79234284      7.72395072    -11.97863358
  H     14.80329122      4.51037642    -12.37373648
  H     13.81080950      7.89765750    -14.66284528
  O     13.48844017     10.61259313    -13.23574380
  H     14.76007824      4.39343887    -13.90600316
  H     16.03940204     10.35199531    -18.38431543
  O     17.35280205     10.86249131    -10.88560921
  H     15.83875502      7.29419636     -8.46792137
  H     15.03803264     10.17207687    -17.21999063
  O     17.98045695      4.98125783    -13.26354022
  H     17.06222202      8.03039669     -9.06404173
  H     11.24822479      5.51491950    -13.05353198
  O     16.14275799      4.69045512    -15.20386273
  H     15.90803646     11.99310072    -16.35489903
  H     12.79153520      5.43525743    -13.02604291
  O     12.80806929      6.83589259    -10.27115197
  H     16.04483704     12.24084881    -14.84265349
  H     14.36992442      5.26540969     -8.01197814
  O     18.91268926      7.60912792    -13.57035906
  H     15.08808612      8.27329284    -11.61323289
  H     14.01635194      6.11394171     -9.25700186
  O     13.02377224     12.48041132    -15.28664059
  H     15.65797491      7.62453246    -12.92956690
  H     15.74044026      5.12723799    -10.23331554
  O     12.90803959      8.22473157    -14.51858207
  H     13.23652816      9.78486694    -13.67282547
  H     15.92435039      6.03443702    -11.45258372
  O     15.96721617     10.37016163    -17.43373134
  H     13.22038824     11.32871889    -13.82336605
  H     17.34452173      7.96370204    -11.20504388
  O     12.03431621      6.03953781    -12.92218264
  H     16.70605749     10.91367104    -10.17096019
  H     18.62646013      7.26429019    -10.68145317
  O     14.75616966      5.76500694     -8.72624273
  H     17.81717075     10.02807275    -10.75370795
  H     16.16406907      7.97004917    -15.00293435
  O     16.09771399      5.13597046    -11.12829011
  H     17.46918667      4.95656303    -12.44472738
  H     15.71378056      6.46445711    -14.98544471
  O     18.16859686      8.10330414    -10.70266967
  H     18.34827379      5.87204238    -13.36153857
  H     15.70234507      9.70602605     -8.57426650
  O     15.46903788      7.35979689    -14.72193798
  H     16.87007056      4.71443916    -14.55426942
  H     15.21697029     11.07791430     -8.04131347
  O     15.36574374     10.58101959     -8.84096301
  H     16.43231707      4.14097579    -15.92618700
  H     17.03817605      9.62110248    -16.09409382
  O     17.36430785      9.28331818    -15.25062813
  H     12.48141992      6.53616126    -11.12673459
  H     17.05534822      9.90579399    -14.57316826
          69
 Energy    -248.50419185816202     
  O     11.04298403      8.25263408     -9.20039894
  H     10.82576386      9.01389876     -9.76566258
  H     12.47964390     13.15318132    -13.28519187
  O     14.26625869      9.35015097    -16.93626744
  H     10.24027927      7.74948984     -9.09039060
  H     17.08699950     10.83544244    -10.10563264
  O     14.99500526      9.29611593    -14.22884197
  H     14.66894477      9.02181746    -17.73572661
  H     16.91011286      9.80156698    -11.24491228
  O     12.18618039     12.61259247     -7.48374948
  H     13.54506954      8.73576861    -16.70828662
  H     15.35683040      7.93120145    -11.39988161
  O     12.42818835     11.52050067    -16.52996563
  H     14.17559434      8.88789374    -13.91295940
  H     15.92000399      8.44867041    -12.73515744
  O     12.64900368      8.16286875    -13.25344612
  H     14.92767939      9.32908819    -15.19001343
  H     11.68254297     15.24521407    -12.09632493
  O     15.00767994      8.89972613     -8.04184950
  H     12.20325622     13.12782520     -6.68077449
  H     11.62001425     13.96928378    -11.22418599
  O     13.56514197     10.79120606    -10.67908191
  H     13.07575404     12.67412912     -7.87553770
  H     13.65673930      9.00579230    -10.54661338
  O     12.51719167      9.75569804     -7.23085948
  H     13.15782852     10.91344231    -16.70688549
  H     12.74973376      7.87386289    -10.02611897
  O     14.79628241     13.98368448    -11.13689816
  H     12.62329011     11.95721086    -15.69083088
  H     10.52946115     10.20146077    -14.38634077
  O     10.82791891     10.46239993    -10.79459417
  H     12.87518511      7.98124992    -12.33472722
  H     11.56082221     11.08671230    -13.63448262
  O     12.78116417     12.42894361    -13.84943936
  H     12.02195983      8.90046749    -13.25953353
  H     15.38879055     12.15507739     -8.53552321
  O     17.10243744     10.73406366    -11.06308188
  H     14.17426090      9.20069356     -7.64637602
  H     14.74114029     13.18737818     -9.53199482
  O     16.16968179      8.21500400    -11.83172702
  H     14.75225161      8.36374708     -8.79581004
  H     15.21352278     10.85435059    -13.39405391
  O     12.08796620     14.39174888    -11.96603767
  H     14.11048622     11.04553917    -11.43274562
  H     15.99828288     11.42748656    -12.19248838
  O     13.55998997      8.03878782    -10.52406655
  H     13.86422536     11.32884340     -9.93574756
  H      9.52833086     10.15701362    -16.80621156
  O     10.93150885     10.35858287    -13.52372748
  H     12.27520212     10.68670615     -7.29343844
  H     10.97123046     10.56449815    -16.41250474
  O     14.57203261     12.61437965     -8.76866044
  H     11.91014788      9.26721114     -7.79916415
  H     16.17486243     10.16928929     -8.13120113
  O     15.26139223     11.61713503    -12.79851606
  H     15.11081819     13.36075151    -11.80100994
  H     17.44267907     10.87554554     -7.58870938
  O     10.24033899      9.95241811    -16.20675501
  H     13.90162774     14.22578041    -11.40930989
  H     11.21285883     13.03771911     -9.04066504
  O     16.74525630     10.95338374     -8.23369635
  H     10.64343859     10.40776475    -11.74197667
  H     10.61415067     12.23019138    -10.20283914
  O     10.82874412     13.12895390     -9.92140193
  H     11.77982589     10.64261039    -10.72260450
  H     12.29796731      7.71928059    -15.10269320
  O     12.17395234      7.84042419    -16.05286997
  H     13.67593910     12.21175587    -13.55766643
  H     11.40677562      8.41910936    -16.14957193
          69
 Energy    -248.50418320285598     
  O     -4.09166599     -1.71694586      1.18328020
  H     -4.12429457     -1.44758276      0.24774692
  H     -3.60688653      4.40371560     -3.51885556
  O     -0.68789116      3.88796740     -2.36053800
  H     -4.85875480     -2.26139077      1.33974542
  H     -0.90454603     -2.39715634     -2.61746672
  O     -3.40958758      1.76757154     -1.16339889
  H     -0.48497819      2.96012548     -2.19464205
  H     -1.21468638     -2.01435731     -1.15057428
  O      0.73030447     -0.32791102      4.82748105
  H     -0.35605186      4.40054830     -1.61074263
  H     -2.31914756      7.72652316      1.34130010
  O      1.62969083      5.03289905      2.12970878
  H     -3.54666580      2.07156349     -0.25883921
  H     -2.34923310      6.29136772      1.91808738
  O     -0.85978905      2.99270046      1.23924830
  H     -3.51458520      2.53833523     -1.73585352
  H     -2.59103576      2.92981420      1.38897844
  O     -1.57948749      1.39898731      4.95385462
  H      1.28110682      0.45452335      4.64257764
  H     -3.91706926      3.64665424      0.98218459
  O     -3.94096472     -0.94859337     -1.41440394
  H      1.18282333     -0.83539305      5.49516009
  H     -3.13882774      4.40276904      2.91811758
  O     -2.97451892      0.41400670      2.65982803
  H      2.17378393      4.25608889      1.94235567
  H     -1.83281633      4.74926095      3.64592242
  O     -0.35698346     -0.53360455      2.26310587
  H      1.10733132      4.80380413      2.90475012
  H     -0.80064848      0.12732494     -1.95196395
  O      2.01762974      1.96206176      4.18596926
  H     -0.61663284      3.80002632      0.76515350
  H     -1.62432125      1.32355572     -1.44339568
  O     -3.36404700      4.16593869     -2.62843777
  H     -0.24075306      2.30293035      0.97576068
  H     -0.78400048      2.90237198      4.39489988
  O     -1.22544787     -1.68702609     -2.06830614
  H     -2.18049837      1.02777424      4.29511237
  H     -0.45643749      3.37454110      2.95926823
  O     -2.22198020      6.80822580      1.10267011
  H     -0.88261313      0.74227990      5.07313390
  H     -3.57554615      5.76640153      0.22956789
  O     -3.56009750      2.88537994      1.46715511
  H     -3.87593457      0.01708295     -1.40611939
  H     -3.95419993      4.87608584     -0.97623128
  O     -2.61075330      5.14351779      3.23204629
  H     -3.10849250     -1.26052147     -1.78822577
  H      0.48489304      1.00096457     -0.36114947
  O     -0.72769718      1.05381824     -1.68790606
  H     -3.31994706      1.23715632      2.28983111
  H      0.59261432      0.41071918      1.08373454
  O     -0.31348774      3.58900014      3.89465214
  H     -3.44000155     -0.31243148      2.22520303
  H     -0.89429609     -1.91083707      1.14771061
  O     -4.17126483      5.06233102     -0.05397439
  H      0.05008657     -0.58177407      3.13704424
  H     -2.30894718     -2.38865954      0.80039872
  O      0.98474647      1.04674622      0.46628223
  H     -1.23852899     -0.15152353      2.38192501
  H      2.32340094      2.00700059      1.11290737
  O     -1.38631296     -2.46755963      0.52937315
  H      1.29221252      2.59969670      4.19659718
  H      3.80791314      2.44016704      1.13135248
  O      2.97237439      2.56510549      1.57428320
  H      2.48686251      2.11689331      3.35775002
  H     -0.78600262      5.93857418      0.28252292
  O     -0.08868658      5.33421457     -0.00429721
  H     -2.39068222      4.13202341     -2.59815148
  H      0.60853151      5.36424286      0.66879170
          69
 Energy    -248.50379294160362     
  O      2.03999886      1.08513630      4.35326950
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  H      2.85126458      1.24175410      4.83325916
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  H     -1.03031592      0.68719946     -2.54083583
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  H     -0.80991345      2.82388007      1.67587825
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  H     -0.66901231      3.14284627      3.19833043
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  H     -0.27699937     -0.87182174      5.65077401
  H     -2.50040162     -0.01167974      2.19682258
  O     -3.78415393      3.07665484      3.74311802
  H     -1.63032770     -0.37430745     -0.75737441
  H     -1.52460033      1.10704796      2.64687064
  O     -2.78989991     -3.29684772      3.31690874
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  H     -0.24379077     -2.06786579     -1.26018569
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  H      1.68100337     -2.26584641     -2.97526244
  H     -0.50549424     -2.04374927      0.27113383
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  H      1.75829339     -1.10379314     -1.95644023
  H      1.33594767     -0.46133631      1.68588118
  O     -5.03064870      0.47011898      3.47120381
  H      2.57561154      0.15595053     -0.12587465
  H      2.03754093      0.63354630      2.51678851
  O     -4.39146402     -1.63183173      5.07092640
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  H     -2.71651238      2.72561068      5.30820358
  O     -1.99023928     -0.29021633      5.44054158
  H     -4.30169972      3.83377275      3.47814619
  H     -2.01591601      1.48132920      5.88635067
  O     -1.30563371      2.95572144      2.49749472
  H     -2.98113776      3.08581743      3.19694470
  H      0.58343766      2.41326080     -0.47803706
  O     -1.70612309      0.16332699      2.72118787
  H     -1.90404176     -3.37407990      3.68703071
  H      0.74710609      1.52727464      0.78531737
  O     -0.94113544     -2.06630620     -0.59375238
  H     -3.31482905     -2.79074748      3.94768242
  H      0.41376142     -4.22141237      4.48602751
  O      1.86426877      0.34861758      1.61275750
  H      0.57779605      4.10424870      5.15275687
  H      0.27280121     -2.69312673      4.69084184
  O     -1.98797910      2.44897230      5.87723227
  H     -0.46866639      2.96939547      5.27916803
  H     -0.54631640     -1.10049173      2.22813337
  O      0.14887016      2.14549390      0.34088439
  H      1.71123470      3.15837597     -2.72942185
  H      0.15934307     -2.43295677      2.59287293
  O     -0.00290895     -3.44085226      4.13154881
  H      0.82034365      1.89928146     -2.59331369
  H     -3.19056989     -3.07635915      1.55337129
  O      0.12503574     -1.73448722      1.92914775
  H     -4.80799722      0.26333812      2.55143183
  H     -2.61509362     -2.74676047      0.14650288
  O     -3.43157505     -2.79472767      0.65754064
  H     -4.67159668      1.34920880      3.63296352
  H     -3.40980305      0.24396247      0.29175385
  O     -3.90414532     -0.15012833      1.02042046
  H     -4.68257421     -0.89297131      4.50592552
  H     -3.88143416     -1.11099151      0.87829585
          69
 Energy    -248.50351121902600     
  O     -7.75347912      1.50328210      6.56158249
  H     -8.38543202      2.06816862      7.02855796
  H    -11.87491998      1.03656070      3.81533271
  O     -4.85140562      2.39950640      4.29382244
  H     -7.66648281      1.89144824      5.67381753
  H     -5.39126920      2.58572368      1.06993914
  O     -5.56348150     -0.05077467      5.39754727
  H     -5.79351819      2.60045971      4.16753219
  H     -4.89159454      1.89012971      2.35108840
  O     -7.44215264      5.17235726      7.01081438
  H     -4.84518840      1.49989753      4.65293103
  H     -8.80646873     -0.91723004      4.80735826
  O    -11.79177702     -0.20965341      6.81469490
  H     -6.06143012     -0.66306697      4.84285257
  H     -8.87318844      0.24548348      5.82313030
  O     -7.59840177      2.56246509      4.04447043
  H     -6.21148770      0.30482581      6.01646325
  H    -12.47627495      3.47849806      5.78627232
  O     -5.47023935      3.21188534      7.06030842
  H     -8.21998509      4.66802734      7.27236695
  H    -12.87870997      2.79872207      7.10708563
  O     -9.63165642      3.32473428      7.42343657
  H     -6.68405663      4.57966789      7.12170594
  H    -13.49419396      1.65298402      5.24973010
  O    -11.83320633      1.93406194      8.50538689
  H    -10.96829748     -0.40916827      6.35080933
  H    -14.38032190      0.63465600      4.49095910
  O     -8.92161562      4.98150634      3.50103088
  H    -12.43834648     -0.01417646      6.12587756
  H     -8.36034158      0.89225697      1.51282791
  O     -5.80009507      4.35233098      0.62040140
  H     -8.05847095      3.37818152      3.81298211
  H     -6.79330278      0.90667281      1.71339668
  O    -10.96499452      1.20667222      3.53656806
  H     -7.70442205      1.92089936      3.33198208
  H     -7.22877860     -2.36560871      3.28691869
  O     -5.26233254      1.71902877      1.47765170
  H     -5.01559219      3.04652459      6.22771872
  H     -7.47924309     -0.85149694      3.07581539
  O     -9.41902272     -0.34765805      5.28862973
  H     -6.15889857      2.53700309      7.10210105
  H    -10.25559908      4.28353385      4.43880307
  O    -13.22059681      3.06134422      6.24374355
  H    -10.33134093      2.92447420      7.95342889
  H    -10.83858453      2.85053175      4.44267065
  O    -13.47716024      0.83471893      4.72020944
  H    -10.02243813      3.49168082      6.55241075
  H     -7.68808902      4.28672156      0.69429188
  O     -7.63236963      0.54231460      2.03889177
  H    -12.12410102      1.67738520      9.37633850
  H     -9.01590070      3.48058091      0.82478200
  O     -7.40450702     -1.55055641      3.74965499
  H    -11.79403141      1.12093186      7.97091822
  H     -5.61512673      5.52483998      3.72734222
  O    -10.83034594      3.68216782      4.93311972
  H     -8.85126833      4.91621325      2.53679969
  H     -4.75874617      4.23411431      3.62376251
  O     -8.63373065      4.36402146      0.87631505
  H     -8.26439966      5.60786324      3.82638999
  H    -10.35115553      1.60160524      1.89766636
  O     -5.04548988      5.01542533      3.13697035
  H     -5.31819304      4.87521643     -0.01532873
  H    -10.57182369      1.55345890      0.36885252
  O     -9.92616929      1.76634919      1.03867924
  H     -5.52647909      4.66197588      1.50303662
  H     -7.10297375      6.04511973      5.57613691
  O     -6.89963151      6.47538548      4.72505114
  H    -10.39450827      0.65674269      4.09208721
  H     -6.81208293      7.40788907      4.90336179
          69
 Energy    -248.50349978994188     
  O     -2.23631142      5.50676936      3.61719026
  H     -2.69398079      6.34259982      3.58932836
  H     -1.32867731      0.01591443      2.75243837
  O     -2.62446320      3.04365661      2.30086737
  H     -1.43022560      5.60668347      3.07766631
  H     -3.94247786     -1.57701411      2.53878645
  O     -0.56278278      4.43945157      5.69467867
  H     -2.65576696      3.87762693      2.78419282
  H     -3.29041141     -0.86356588      3.72945312
  O      1.66716339     -2.85104069      1.14695760
  H     -1.81314395      3.06455621      1.77319784
  H      0.36586264      1.82856024      4.72105243
  O     -0.37463530     -0.33200453     -1.63117165
  H     -1.22383562      4.81886913      5.10242123
  H     -0.49892003      2.64394831      5.69202067
  O     -1.86919960     -1.84492027      0.18723139
  H      0.29107713      4.62434186      5.28373493
  H      1.16239923     -1.54723453      4.51751503
  O     -2.45981852      0.81087813      3.93604460
  H      1.59718911     -2.59185040      2.07620352
  H      0.16478241     -2.58591562      3.87234675
  O     -4.48833612     -1.07892154      0.72903625
  H      0.92497439     -3.44796110      0.99394970
  H     -1.14135087     -4.98693965      0.38094206
  O     -1.63363660      2.05584875     -1.57815186
  H     -0.92195088     -0.93699130     -1.11161566
  H     -1.24020613     -3.45560436      0.57222045
  O      2.24140158     -0.83917698     -0.56526729
  H      0.53622329     -0.49873890     -1.36335316
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  O     -1.34410159     -3.45842095      3.65252941
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  H      2.75436859      4.96766571      4.41853487
  O     -0.64917857     -0.35567493      2.17621501
  H     -1.44032716     -1.32722565      0.88703911
  H      0.63017648      0.62121547      1.54449082
  O     -3.53752232     -1.73750038      3.39824250
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  H      1.84906700      0.56935762      0.59788417
  O     -0.29272926      1.73681474      5.42284864
  H     -1.79510409      1.07164800      4.58701455
  H      1.90864429     -0.37655579      6.70118994
  O      0.94384269     -2.02558751      3.71184679
  H     -5.38509587     -1.21578702      0.43646015
  H      0.83312256      0.37520359      5.88872654
  O     -0.80669849     -4.26164490      0.90181545
  H     -4.28364891     -0.13923602      0.57202485
  H      2.22638594      1.08457060      4.36503398
  O      1.90829734      4.59572878      4.18087105
  H     -1.16171308      1.20555126     -1.63765184
  H      1.93655742      1.57152451      2.90724095
  O      1.41367625      1.12075537      1.25761144
  H     -1.75964345      2.36385778     -2.47164532
  H     -0.00913271      4.77236831      1.54417116
  O      1.58425068     -0.23666081      5.81480857
  H      3.03085497     -1.05938647     -1.05185109
  H      0.77179318      5.24293454      2.79420566
  O      2.06144334      1.86252245      3.82292086
  H      2.06245418     -1.58893899      0.03161542
  H     -3.54244294      2.07197519      0.98762407
  O      0.06526261      5.49243992      2.18580373
  H     -1.24210476     -3.87869022      2.79126692
  H     -3.11379045      1.65952201     -0.43171003
  O     -3.76894475      1.48552027      0.25458733
  H     -2.14641893     -2.91742733      3.60168163
  H     -0.77249895      2.90816288     -0.17798850
  O     -0.34839955      3.18259484      0.64527427
  H     -0.11893425     -0.96867068      2.70566143
  H      0.34534279      2.53356733      0.82365213
          69
 Energy    -248.50330632832720     
  O     11.01425808     13.55575260    -10.77026636
  H     10.54819807     12.73703870    -10.56181813
  H     16.56194124      9.59967998    -12.39167613
  O     11.38741209     10.33075520    -12.54811824
  H     11.06716251     13.59296926    -11.73298544
  H     14.83801208      6.71808408    -14.50914389
  O     14.37360959      9.65708768    -15.68716554
  H     10.73508416     10.48268196    -11.85180052
  H     14.50688733      8.21455804    -14.71394262
  O     13.72145489     11.61160783     -8.76249781
  H     12.26194047     10.51156303    -12.16466230
  H     14.99432835     14.12669167    -11.61279133
  O     14.22317630     11.91916618    -17.25924866
  H     14.86236338     10.30564496    -15.15657283
  H     14.65625479     14.44720872    -10.15389693
  O     12.95423297      7.43813761     -9.47184837
  H     14.24931920     10.12653245    -16.52203088
  H     13.12050356      7.56065670    -12.82020504
  O     13.82669761     10.87463918    -11.46023838
  H     14.62462512     11.45824955     -8.45761471
  H     11.96964478      8.47367392    -12.34253101
  O     11.60579451      9.82451843     -8.70832290
  H     13.55614312     12.56304026     -8.78028189
  H     18.65616388     10.96316572    -12.99556758
  O     17.15545617     12.22716577    -10.57164677
  H     14.83292081     12.12242238    -16.53876894
  H     17.54478305     11.45874894    -12.03779708
  O      9.81980005     10.97542125    -10.34577299
  H     13.37338489     12.29080913    -16.99440948
  H     11.31202334     12.14770379    -13.29288082
  O     14.09800523     13.18584250    -12.94898952
  H     12.70959160      6.56086151     -9.18768207
  H     11.35454073     13.07872353    -14.52168665
  O     15.86666355      9.03138649    -12.03471458
  H     12.78028608      7.47916708    -10.42853673
  H     16.86478285     10.70023701     -7.41264520
  O     14.59030459      7.51363095    -14.04464406
  H     14.52981724     10.23081766    -11.60985626
  H     16.11639071      9.94851741     -8.54219039
  O     15.39713620     14.35264712    -10.76292819
  H     13.81426745     11.09941809    -10.52079011
  H     15.17799242     12.40185297    -14.14117050
  O     12.44550612      7.66101475    -12.13846471
  H     12.33173349     10.45518266     -8.59773338
  H     16.49719853     11.59608265    -14.15639674
  O     17.71239124     10.96399597    -12.86273204
  H     12.01974493      8.97544494     -8.90242576
  H     10.86360790     12.70005126    -17.01781855
  O     11.36178099     13.07585057    -13.55583479
  H     16.60397961     13.02317553    -10.59744016
  H     11.46316339     11.64943930    -16.05258994
  O     16.33846694     10.83277446     -8.19609996
  H     16.95503217     11.77883770     -9.74356109
  H     15.80056802      8.58345564    -10.26095052
  O     15.72848154     11.82592971    -14.69126811
  H     10.41591593     10.54368474     -9.70576758
  H     14.71853880      8.11460517     -9.27070842
  O     11.51469379     12.58224106    -16.33022911
  H      8.92854716     10.81549322    -10.04853392
  H     12.73479998     14.99745819     -8.55296193
  O     15.60393583      8.49404501     -9.31786837
  H     13.18705377     13.33658971    -13.22557927
  H     12.30602277     14.08244807     -9.72335736
  O     13.03989390     14.29306221     -9.11843998
  H     14.07209333     12.40209772    -12.37736298
  H     11.40225544     10.04014012    -14.38413201
  O     11.58024960     10.05103938    -15.33314691
  H     15.54068729      8.45906817    -12.73916367
  H     12.51603208      9.83080969    -15.42696681
          69
 Energy    -248.50329451576812     
  O     11.73720600     10.93805498    -13.02535257
  H     11.92586796     10.55208810    -13.89087822
  H     19.13714055      7.44485540    -16.73472254
  O     15.65632710      6.68737137    -13.89963112
  H     12.34660242     11.67639024    -12.90869610
  H     14.86892686     12.61952756    -15.47962879
  O     17.96095225     10.25108841    -12.39169113
  H     15.22265499      6.20397307    -14.61457651
  H     16.17053342     12.82322362    -14.65778972
  O     17.95099382     12.01140978    -14.52455756
  H     15.38774479      7.61507873    -14.00373131
  H     15.63516214      9.61903678    -14.92588259
  O     11.68783986      6.89786902    -15.16147640
  H     17.03805545     10.45729201    -12.17360507
  H     15.11167328      9.85818641    -13.46150858
  O     16.51270152      8.44978815     -8.87479592
  H     18.39081094     10.03133191    -11.55593609
  H     11.49538406      9.85161691    -11.72412557
  O     14.59877960      6.37901279    -11.38739495
  H     18.76774388     12.49824099    -14.60468954
  H     10.60302247      9.40759216    -10.53846596
  O     15.32853899     10.75267945    -11.89262161
  H     18.05087363     11.42233345    -13.75885991
  H     19.05397156      7.59478330    -10.60885719
  O     16.75618171      5.71371327     -9.70039394
  H     10.81931352      6.55157161    -15.34963625
  H     18.77049190      6.92518605    -11.96292890
  O     16.73734792     10.14490916    -16.25363570
  H     11.79636135      6.86287852    -14.19321177
  H     11.73666993      7.61392214    -11.96566469
  O     14.11512627      5.70887115    -15.97107635
  H     16.55521669      7.49346792     -9.00213932
  H     12.83809471      6.53918503    -12.07129596
  O     18.58674730      8.10357453    -16.31977680
  H     15.64793326      8.71842026     -9.20983550
  H     17.35086686      7.25238105    -13.69304692
  O     15.24694468     13.08697289    -14.71943050
  H     15.27023187      6.02781851    -10.79062536
  H     18.08316053      8.55899306    -13.23968908
  O     15.03411826      9.29405190    -14.24043412
  H     15.00187605      6.41869635    -12.26787588
  H     19.38995627      9.74042012     -9.18193020
  O     11.41605688      9.20966514    -10.99450710
  H     14.77920325     11.53887985    -11.99837650
  H     18.00659296      9.11655295     -9.48257210
  O     18.89818194      6.73751963    -11.02369983
  H     14.88199431     10.14483489    -11.28624196
  H     13.57284012     10.88760610    -16.45829445
  O     12.02008585      6.84835195    -12.48003784
  H     16.99911134      4.92303856     -9.22636908
  H     15.07267499     10.95815775    -16.82948094
  O     18.22021492      7.67123675    -13.59763094
  H     17.54349060      5.99520655    -10.20014002
  H     13.15918335      9.04136474    -10.38761994
  O     18.85676697      9.37550064     -9.88290405
  H     17.22818090     10.83427075    -15.78758209
  H     14.28247413      8.01755257    -10.68599193
  O     14.26449053     11.48460371    -16.76967129
  H     17.36126421      9.42298125    -16.41460181
  H     14.23833206     13.05558413    -13.35221493
  O     14.10661978      8.88501054    -10.29089710
  H     14.23863403      5.87378720    -16.90356930
  H     13.53947723     13.80336883    -12.18973450
  O     13.71045759     12.93408458    -12.54057597
  H     13.25464315      6.09355263    -15.74597904
  H     13.42211592      9.47780137    -14.95499360
  O     12.55731985      9.61467866    -15.37437631
  H     18.57337457      7.88648346    -15.37415555
  H     12.16048783      8.73874741    -15.43355909
          69
 Ord_Energy   -248.503235    
 O    2.03244519       1.56929255       11.6713562    
 H    2.99545002       1.58151269       11.6173296    
 H    1.78458023      0.635558367       11.6060047    
 O    6.19767666     -0.206809700       5.83302689    
 H    5.34147453     -0.571196258       6.11777830    
 H    6.56892920     -0.826919019       5.21026659    
 O    5.11407948       2.38781452       5.22365427    
 H    5.55476379       1.53800416       5.33909369    
 H    4.38087511       2.23894620       4.61352587    
 O    3.80621743      -2.85381055       10.4596004    
 H    3.96749187      -3.58789396       11.0491743    
 H    4.61011887      -2.31190753       10.4658403    
 O    1.94535363     -0.501639962       4.71222591    
 H    1.15153575     -0.130382493       5.12742424    
 H    2.60504079     -0.622067511       5.41077089    
 O    6.47729111       2.84353185       9.44377041    
 H    7.05903530       3.57696724       9.62291622    
 H    5.81812477       3.15890741       8.79853916    
 O  -0.315819442      0.536805868       5.96370888    
 H   -7.17209978E-03  0.774376392       6.85290098    
 H  -0.879415095     -0.236797884       6.07652807    
 O    6.08966732      -1.26329231       10.5773249    
 H    6.84948254      -1.47333646       11.1152039    
 H    6.43154716     -0.805209875       9.78773499    
 O    2.29584360      -2.90860510       8.06968212    
 H    2.84969425      -3.02760267       8.85064697    
 H    1.48869812      -2.47047138       8.38014889    
 O    1.55991733      -1.16629267       11.2827711    
 H    2.32523251      -1.71359491       11.0772724    
 H   0.893063247      -1.40136003       10.6256113    
 O   -5.06824022E-03  -1.59050953       8.93950176    
 H  -0.651280642      -1.80068278       8.25584888    
 H   0.188946679     -0.644759655       8.84171486    
 O   0.982354641       3.05582929       5.49109173    
 H   0.376074344       2.30806518       5.54759693    
 H    1.63580227       2.80334187       4.82925129    
 O   0.566404700       3.25258350       10.1332960    
 H    1.10399628       2.70373392       10.7339220    
 H   -1.84308197E-02   3.76701736       10.6824913    
 O    4.58483458       3.48951626       7.65223408    
 H    3.71171236       3.91030455       7.68523359    
 H    4.77735996       3.21581388       6.74261999    
 O    2.01138663       4.27327633       7.79768276    
 H    1.57591116       3.89853764       7.01749706    
 H    1.50139594       4.00392866       8.56851101    
 O    7.03691149      0.195500806       8.52558708    
 H    6.83961010      0.101835929       7.58644962    
 H    6.93427324       1.13030362       8.74430752    
 O   0.634659410       1.04056370       8.48156738    
 H   0.387117863       1.79793727       9.02519608    
 H    1.60232115       1.04405117       8.46061802    
 O   -1.47523606      -2.01955462       6.53417110    
 H  -0.700304329      -2.46318555       6.14530945    
 H   -2.24291182      -2.51250434       6.25775862    
 O    4.75011110       1.24265099       10.9999371    
 H    5.18866873      0.384377182       11.0166397    
 H    5.37037802       1.86262047       10.5925007    
 O    3.75774479     -0.955368876       6.77459335    
 H    3.66477275     -0.208584636       7.38667011    
 H    3.31493950      -1.70763600       7.18726206    
 O   0.873675406      -3.03720379       5.58564854    
 H    1.42880750      -3.19163203       6.36094666    
 H    1.27924788      -2.30366755       5.10656738    
 O    2.84893394       1.85231316       3.60318208    
 H    2.54086947      0.974663019       3.88315248    
 H    2.69238043       1.91221309       2.66386080    
 O    3.40185213       1.10449278       8.50217056    
 H    3.73333335       1.05723858       9.40618896    
 H    3.72587633       1.93702877       8.13280869    
          69
 Energy    -248.50314258695286     
  O     14.17037120     10.24134856     -8.91193263
  H     13.88800317     11.15390442     -9.05132747
  H     12.76333417      5.28676903    -14.24120527
  O     15.96941232     13.59660240    -13.44635846
  H     14.98895012     10.13515469     -9.42000175
  H     10.94394509      8.13948998    -10.56285121
  O     10.70726096     10.18590687    -14.00484058
  H     16.58219590     14.30710633    -13.61198000
  H     11.02296883      6.64833287    -10.22333714
  O      9.67852220      7.61218137    -13.21220786
  H     16.09638384     13.34053502    -12.51657589
  H     16.38536886      6.36714871    -10.80250491
  O     12.19850132     11.70632679    -12.26188955
  H     10.26649513      9.37537916    -13.72293801
  H     15.10299260      6.58854165    -11.63678968
  O     14.36093298     11.44993840    -13.94446134
  H     11.40185109      9.91031047    -14.61314822
  H     12.79958419      5.13734588    -10.04718436
  O     13.34666034     12.75405095     -9.96042196
  H      8.76828078      7.35466965    -13.32825867
  H     12.11692306      5.02058107     -8.66835534
  O     16.50365747      9.91375854    -10.43809101
  H      9.89902898      7.45994014    -12.27489095
  H     17.58083187      7.07452269     -8.61551096
  O     15.75371233      5.64535295    -14.29190965
  H     11.50617425     11.32315954    -12.81962265
  H     16.08063463      7.32683661     -8.90586336
  O     16.09389205     12.72265527    -10.84621655
  H     12.99554977     11.70190009    -12.81316187
  H     14.53468314      4.69005586    -11.29215124
  O     13.78123021      7.72783038    -12.08394975
  H     14.92753430     10.75475373    -13.58080554
  H     13.41990119      4.19962141    -12.22841489
  O     13.17842837      4.41358055    -14.13667230
  H     14.88368820     12.26405942    -13.92260544
  H     15.77614600      7.13211064    -15.17721312
  O     10.46780523      7.30164378    -10.66431332
  H     12.87755589     12.46940471    -10.76208070
  H     16.39289432      7.98423737    -16.31172785
  O     15.85382784      5.98595812    -11.50901076
  H     12.88577701     13.52368638     -9.63522663
  H     13.52045806     10.12557024    -14.94821769
  O     12.37006743      5.64979959     -9.34023206
  H     16.37762546      9.72630190    -11.37968319
  H     14.04131174      8.83809082    -15.58644903
  O     16.97441125      7.35583714     -9.29528256
  H     16.82599470      9.09524792    -10.04139968
  H     12.48012047      7.74539841    -14.70858384
  O     13.66470151      4.26644596    -11.29861110
  H     14.95132735      5.11123067    -14.32475066
  H     11.26192605      7.12289853    -13.95256521
  O     15.76717917      8.01330541    -15.59287867
  H     15.97731692      5.72091042    -13.35408578
  H     14.17745918      8.36629643     -8.37994133
  O     13.22362791      9.29266306    -15.34232787
  H     15.19748350     12.80485397    -10.49889888
  H     13.69088565      6.91929468     -8.70181574
  O     12.16264372      6.95001160    -14.25880471
  H     16.37914332     11.82309981    -10.64469096
  H     15.08919497      8.75298482    -12.71230308
  O     14.43406710      7.43621089     -8.36938481
  H     13.22524171      7.38976555    -12.79591314
  H     16.02978860      8.91033000    -13.92215747
  O     15.83195821      9.27666904    -13.05274502
  H     13.21620457      8.27403016    -11.52357700
  H     12.81158972      9.68677690     -9.94134085
  O     12.17199001      9.44917986    -10.62529349
  H     12.73597920      3.82385302    -14.74192165
  H     12.11493150     10.20377399    -11.22520392
          69
 Energy    -248.50304673765521     
  O      2.97447394     -0.45712362      5.69410164
  H      2.46978072      0.35065315      5.52610451
  H      0.50248615      2.76150324      0.38660858
  O     -0.18605954      1.42333796      7.60695970
  H      3.41371962     -0.71160067      4.87068696
  H     -0.19746977      1.51802183      2.52598550
  O     -0.07124148     -5.13965187      3.83733565
  H     -0.39133660      2.08139930      8.26818333
  H     -0.52130500      0.10087957      3.06322307
  O      3.17194396     -4.10392656      7.11727326
  H      0.08732485      0.62664412      8.08625675
  H      3.37115762      0.57987841      0.77988877
  O      4.05033760     -1.20984448      3.29007089
  H      0.11986440     -5.09370187      4.78635838
  H      2.38380431     -0.59488423      0.61950294
  O      3.99630711     -3.79500820      4.49134421
  H     -0.89825053     -4.66492648      3.70586686
  H     -1.76128823      1.03765216      4.75582729
  O      3.29426947     -1.37680215      8.20230778
  H      3.54812037     -4.01507326      6.22688033
  H     -1.60171516      1.11117278      6.28831584
  O      0.70335028     -0.83803584      9.02631083
  H      3.27568091     -3.25061562      7.54746383
  H      2.12610564      2.76926887      2.43040911
  O     -1.01930869     -3.05481886      8.15576642
  H      4.42906381     -0.42773981      2.87060746
  H      2.40832046      2.54776774      3.92733701
  O      2.07613292     -2.19005122      1.56154244
  H      3.36015310     -1.53622754      2.69469866
  H      1.50664084     -1.57092947      5.47007402
  O      4.73859610      1.18233441      2.01140169
  H      3.43341436     -4.23226049      3.84096639
  H      0.78671622     -2.94795553      5.64526310
  O      0.79402651      2.25736538      1.14139615
  H      4.21518879     -2.93890597      4.10550560
  H      2.43882893     -5.67644685      2.03931093
  O     -0.53251445      1.04043560      3.29505370
  H      4.15995605     -1.17602050      8.54947898
  H      1.39480767     -4.96433241      2.92848073
  O      2.53629254      0.32549608      0.36795685
  H      3.26552917     -1.02277371      7.29500837
  H     -1.07522314     -1.88852032      5.70349456
  O     -2.21965789      0.86653356      5.58964279
  H      0.65385989     -0.96502358      9.97228687
  H     -2.28563399     -0.93388963      5.75379316
  O      2.82953434      2.78639431      3.09201485
  H      1.61139055     -1.06291040      8.76720813
  H     -3.31425511     -3.67663684      3.40638990
  O      0.69367144     -2.05356316      5.29013694
  H     -0.45583932     -2.32290232      8.42923190
  H     -2.40358872     -2.92054768      4.39998764
  O      2.23932511     -4.84331684      2.45833701
  H     -1.59362269     -2.69034762      7.46833392
  H      0.00962885     -4.22031765      7.15109159
  O     -2.03880568     -1.86745384      5.81090902
  H      2.19382003     -3.13447981      1.72639946
  H      1.49541064     -4.56403229      6.78337521
  O     -2.40816580     -3.42963728      3.57129451
  H      1.18664095     -1.97859073      1.88048067
  H      0.68577654      1.44781081      4.56579846
  O      0.57983741     -4.59368012      6.46546740
  H      4.12054097      1.79971513      2.44247190
  H      0.86194916      1.73070432      6.07914227
  O      1.33511604      1.70197763      5.23939880
  H      5.52656689      1.67747138      1.80548728
  H     -1.11540491     -2.24636269      2.80223473
  O     -0.33562539     -1.68021015      2.79078533
  H      1.36421201      1.54449828      0.80069813
  H      0.11100793     -1.83959039      3.63929435
          69
 Energy    -248.50304202140251     
  O     -4.99251459      4.66167609      0.86657740
  H     -5.25765703      4.13278767      0.10959319
  H     -6.95208444      0.61158648      2.51452122
  O     -3.81028832      3.51005418     -2.85017115
  H     -5.25670259      4.14336381      1.64349554
  H     -5.03604657     -0.08306960      3.91887538
  O     -5.28917100      2.91826029      2.96429630
  H     -3.82011275      3.95873042     -3.69185316
  H     -4.09280585     -0.92286434      3.05419144
  O     -4.05497333     -1.38853965      1.31905665
  H     -2.89074147      3.23985693     -2.69974347
  H     -0.68651217      0.62003748      2.49597739
  O     -2.20439749     -0.09294617     -2.41445829
  H     -5.85331982      2.22583715      3.32529363
  H     -0.62303160      1.49861715      1.22632025
  O     -5.47704692      2.35777698     -1.00797183
  H     -4.52931520      3.05481250      3.55052432
  H     -1.73462382      3.70561609      0.93970658
  O     -6.17639764     -1.78708078     -0.47176668
  H     -4.77163512     -1.64741301      0.72757490
  H     -2.38349543      2.31705101      0.70213578
  O     -5.00603030     -0.19449511     -2.27991692
  H     -3.21456656     -1.52647961      0.85956184
  H     -0.05934555     -2.10194199     -0.64554756
  O     -1.31214913      2.54821604     -2.16533658
  H     -1.95524339      0.83911280     -2.34606087
  H      1.34442529     -1.49198958     -0.70152999
  O     -1.62442591     -1.27449940      0.05294512
  H     -1.51504154     -0.52410562     -2.93532706
  H      2.75282874      0.36077947      0.53515707
  O      0.11425111     -1.22760574     -3.55582626
  H     -4.95672870      2.80659298     -1.69320806
  H      1.21642543      0.35411273      0.68877506
  O     -6.79504703      0.63751339      3.47547210
  H     -4.85074609      2.02993140     -0.34329684
  H     -1.32133961      0.49880934      4.91885767
  O     -4.13541431     -0.42224965      3.88310320
  H     -5.76377245     -1.28327659     -1.19814155
  H     -2.56117873      0.32517981      4.01862574
  O     -0.28830253      0.67755165      1.61824346
  H     -6.64008589     -2.51885235     -0.86839557
  H     -6.78831092      1.28871886      0.15148907
  O     -1.57574693      2.83609987      0.55312033
  H     -5.23696017      0.70125922     -2.00779813
  H     -6.91361588     -0.23435167      0.34278091
  O      0.79149471     -2.17644901     -1.09916276
  H     -4.04891172     -0.19996226     -2.41360311
  H     -4.32939272      1.87721076      1.74468964
  O      1.94190384      0.17265005      0.06886485
  H     -1.35668355      2.72816379     -1.21493023
  H     -3.95729592      0.48090276      1.15024556
  O     -1.67655192      0.73011129      4.06353992
  H     -0.41661466      2.22998979     -2.35001942
  H     -2.28619492      6.06686245      1.85282581
  O     -7.12275155      0.61476149      0.75286799
  H     -1.86125050     -0.84083755     -0.78006466
  H     -3.36553690      5.04594430      1.42428032
  O     -3.85100597      1.43188447      1.03189557
  H     -1.18279985     -0.61645339      0.60664556
  H     -2.33694110      2.56635347      4.03654586
  O     -2.47104283      5.13314661      1.80048528
  H      0.37016169     -1.79428109     -4.27811681
  H     -2.56423609      3.96798467      3.40074809
  O     -2.85374068      3.37772398      4.10706298
  H      0.40040961     -1.66746033     -2.73524395
  H      1.45064475      0.96113805     -1.63603117
  O      1.09450139      1.26308660     -2.48031915
  H     -7.63466528      0.46741723      3.89396905
  H      0.86553762      0.46227217     -2.96813032
          69
 Energy    -248.50303337038872     
  O     10.72789043      8.92031107    -12.73508451
  H     11.32418823      8.30316605    -12.27228237
  H     11.41608928     13.97603835    -14.18946095
  O     16.33798419      7.97112727    -14.74803494
  H      9.83924679      8.68563448    -12.48179846
  H     13.63954251      9.55520170    -14.46119447
  O     17.17922660     11.45962362    -12.14783642
  H     17.16650766      8.44791865    -14.62618181
  H     14.50115903     10.20417122    -13.32210236
  O     14.55437398     13.81647761    -14.60845828
  H     15.65266407      8.63498930    -14.56592468
  H     13.23729979      7.54602848    -11.07176608
  O     13.84241142      6.63545963    -15.46496575
  H     17.19933659     12.30745539    -12.60449432
  H     12.76475096      6.47655064    -12.07984641
  O     17.27437493      8.27133147     -8.96291540
  H     16.25890713     11.26915772    -11.91025771
  H     20.92546327      8.01227649    -12.26436977
  O     16.00415369      6.36603828    -12.51855056
  H     15.41639170     13.94171147    -14.20188809
  H     19.46788853      7.67743286    -11.87219013
  O     14.63385856     10.68306752    -11.57935745
  H     14.70227727     13.13871919    -15.28441469
  H     13.26427174      4.28595951    -13.40236209
  O     18.36154085      6.61741777    -11.05735456
  H     13.21322536      7.37120650    -15.47979709
  H     13.60292574      5.64548537    -14.06241334
  O     15.10213772     11.64764281    -16.27454458
  H     14.72629306      7.01965206    -15.47227310
  H     17.60628936     13.10220924    -14.64053080
  O     17.99333442     11.76627735    -15.88274683
  H     17.44387523      8.31524747     -8.02585773
  H     17.99203204     14.39134882    -13.88315593
  O     11.95632126     13.19040608    -14.15745975
  H     17.80193816      8.97742511     -9.37748620
  H     17.90406740     10.30619183    -13.35459613
  O     14.51204123      9.90683952    -14.23945527
  H     16.16237167      6.88500649    -13.32066549
  H     19.05112163      9.28445777    -13.52898627
  O     12.46388222      7.22765521    -11.55336170
  H     15.23484893      5.81077347    -12.69187324
  H     18.24453293     10.67574673    -10.86798482
  O     20.03788658      8.35985319    -12.27164683
  H     13.70848930     10.97094241    -11.59058794
  H     19.34137581      9.59543984    -10.92156657
  O     13.55066217      5.17444755    -13.21048646
  H     14.68645565      9.81002137    -11.16655232
  H     12.02351823     11.96949707    -15.63684512
  O     17.36015014     13.67580935    -13.89792091
  H     18.02557921      7.03288260    -10.25412675
  H     13.12866029     11.48069356    -16.58850050
  O     18.38840742      9.78920520    -14.01695069
  H     17.58084782      6.38352429    -11.57870780
  H     15.66461101      8.17576185     -9.91090712
  O     18.77899655     10.08977959    -10.31397945
  H     16.06088800     11.65862548    -16.35004588
  H     15.34234524      7.54206622    -11.28081308
  O     12.20875615     11.33255085    -16.33912868
  H     14.90547391     11.02915630    -15.55113932
  H     11.95162673     11.97980751    -12.72005549
  O     14.98134172      8.11623556    -10.58977183
  H     18.19059575     11.01547542    -15.29696745
  H     11.51376410     10.57424022    -12.23764823
  O     12.03944413     11.34642275    -11.99648991
  H     18.61210705     11.71710089    -16.60748641
  H     11.53149264      8.87015470    -14.40986894
  O     12.12546258      8.84329398    -15.17065829
  H     12.88053073     13.48557010    -14.24216214
  H     12.01616847      9.66576200    -15.67206966
          69
 Energy    -248.50299499564966     
  O     -4.64847519      4.19652406      3.09202947
  H     -3.81632907      4.51516926      3.48963355
  H     -4.51391909      5.34397064     -2.24294539
  O     -3.26329993     -1.99703746      0.90504588
  H     -5.32461293      4.28061364      3.75838194
  H     -2.93212211     -0.90908422     -2.18041575
  O     -1.11512096      4.50804073     -1.94145444
  H     -2.55485467     -2.42031881      0.40470062
  H     -1.59281072     -1.62182072     -1.95708109
  O     -3.70775175      2.10820892     -1.06065604
  H     -3.78749225     -1.51679166      0.25195549
  H     -0.35010471      3.25726252      2.90700186
  O      1.92173257      0.20962294      2.93159731
  H     -1.04704806      3.56922716     -2.15484500
  H     -0.10446112      2.57176452      4.25593728
  O      1.82103960      4.56928910      1.94640559
  H     -2.06072926      4.69954530     -1.92665193
  H     -1.23431401      6.61982031      1.38562791
  O     -1.00158290      3.01648361      1.26628530
  H     -2.80583396      1.94790310     -1.37887172
  H     -1.52758392      8.00407091      2.01336158
  O     -0.38147545      0.69235232      4.58392219
  H     -3.92807434      3.01328990     -1.31341040
  H     -3.74444414      2.08248423      0.76005760
  O     -4.56225712     -0.51562766     -1.20112837
  H      1.43243153     -0.31782030      2.28657194
  H     -4.03840621      2.74568279      2.15981944
  O     -2.13775887     -0.15914074      2.60560144
  H      1.27542434      0.41580006      3.61661271
  H     -2.07299318      5.88355789      3.39524875
  O      0.09999609     -0.79999364      1.00095757
  H      2.35577712      3.80003892      1.71565471
  H     -1.49789492      4.60311534      4.05282154
  O     -3.97791999      4.81945258     -1.65426809
  H      1.34381015      4.31338904      2.74592553
  H     -1.39305129      0.74562313     -2.38702615
  O     -2.02255265     -0.94898483     -2.49946037
  H     -1.92496903      2.76982456      1.39284390
  H     -0.40148868      1.58973321     -1.54170660
  O     -0.05503597      3.42755803      3.81625207
  H     -0.95565221      3.92341773      0.93727022
  H     -3.40025075      6.38419613      1.18287118
  O     -1.85126290      7.10911349      1.96000076
  H     -0.58311222      0.26901564      5.41505426
  H     -4.43319746      5.31108006      1.57070633
  O     -3.54664842      2.04947303      1.70638330
  H     -1.03111421      0.36006419      3.94225055
  H      1.68482666      1.79144601      0.15354440
  O     -2.29227652      5.14763796      3.98072490
  H     -4.36220372      0.43398183     -1.16784625
  H      0.17991864      2.10399936      0.34970711
  O     -1.17671023      1.65011262     -2.11664675
  H     -5.44176971     -0.59689109     -1.56231085
  H     -0.46342450     -2.12024614     -0.02900891
  O     -4.12346297      5.84890591      0.83255526
  H     -2.64291151      0.62935635      2.36224313
  H     -0.37765962     -3.54770628     -0.61781655
  O      0.80607736      1.58843429     -0.18574221
  H     -2.57580410     -0.89683871      2.15474838
  H      4.04839486      1.90638296      1.27424965
  O     -0.92790146     -2.76974569     -0.58499800
  H      0.35795643     -0.01427334      0.49726494
  H      2.75386774      1.44778396      1.98541735
  O      3.11596018      2.09067567      1.35001575
  H     -0.66568896     -0.55053777      1.53708255
  H     -0.37453085      5.26511042     -0.47869705
  O     -0.25705851      5.58550812      0.42771147
  H     -4.04945905      5.22464370     -0.77130118
  H      0.58011930      5.27438144      0.80392174
          69
 Ord_Energy   -248.502823    
 O   -7.47793961      0.791389942       4.80831480    
 H   -7.36959982       1.21312606       3.94659901    
 H   -7.46347618       1.50969052       5.45455599    
 O   0.835636318       3.71672249       1.45323157    
 H   0.143687844       4.22474051      0.991175115    
 H    1.63026583       3.80523324      0.934269786    
 O   -6.56019688       2.27025056       2.54063821    
 H   -6.18605375       2.02222157       1.68633878    
 H   -5.82765007       2.17246342       3.17073679    
 O   -5.60969353     -0.949730456       5.77745152    
 H   -6.29944229     -0.389167190       5.37737036    
 H   -6.05515242      -1.70653296       6.14912033    
 O   -1.00329590      0.219041049       4.84691238    
 H  -0.176122695     -0.210109651       5.05268908    
 H  -0.848317623      0.757790625       4.05177355    
 O   -3.47225428     -0.793687046       3.92205048    
 H   -4.14488363     -0.997405291       4.58451462    
 H   -2.64221811     -0.594115317       4.37738419    
 O   -4.63897991       1.46397984       6.96572495    
 H   -4.90481424      0.563222051       6.73924541    
 H   -5.45574188       1.97358680       7.05936098    
 O   -5.85935020       4.82460690       5.33231926    
 H   -5.17170525       5.40907478       5.67326927    
 H   -5.85087538       4.92490101       4.37280655    
 O   -3.90331936       7.08565474       3.29515505    
 H   -3.88760877       7.00995874       4.25787210    
 H   -4.62267447       6.51939917       2.99568939    
 O   0.257124245       5.41211987       3.77216172    
 H   0.549585581       4.79802561       3.09018373    
 H  -0.239290491       6.09881353       3.30610609    
 O   -1.67026722       4.87059736       5.63820648    
 H   -1.66239464       3.98392081       6.02883959    
 H  -0.859786570       5.01890898       5.12950563    
 O   -3.74028993       6.53079462       6.07356787    
 H   -2.96243978       5.95212650       5.97495317    
 H   -3.57213616       7.09533596       6.82270908    
 O   -7.05251169       2.87573504       6.72530413    
 H   -7.70252848       3.26330304       7.30466509    
 H   -6.65986300       3.60791755       6.21396160    
 O   -1.13125873       5.22635555      0.349221855    
 H   -2.03019929       4.87756443      0.290019125    
 H   -1.19620097       5.99268913      0.934249759    
 O  -0.816053629       1.79963434       2.60917759    
 H  -0.114191599       2.29025841       2.16557717    
 H   -1.46959972       2.47104669       2.86132288    
 O   -5.81042385       5.01925850       2.49211335    
 H   -6.29955006       4.18592596       2.49197435    
 H   -5.12649250       4.88931084       1.82020009    
 O   -2.91661763      0.291698396       1.39300156    
 H   -3.14240932     -0.270670414       2.14534235    
 H   -2.12145162      0.772227168       1.65491951    
 O   -1.36962950       7.26224709       2.31113362    
 H   -2.28678250       7.19341278       2.62862611    
 H   -1.20351624       8.19076252       2.16885805    
 O   -2.67157340       3.70058274       3.26758575    
 H   -3.34020042       3.09640312       3.62497497    
 H   -2.34389591       4.22585583       4.00503588    
 O   -4.93493319       1.69905317      0.255406946    
 H   -5.12650394       1.33867168     -0.606569111    
 H   -4.21722221       1.15789664      0.630544901    
 O   -4.39028311       1.84495854       4.18263483    
 H   -4.47760582       1.86228657       5.14280081    
 H   -4.06874800      0.964667082       3.95101452    
 O   -3.71463346       4.21812868      0.790655136    
 H   -4.10524416       3.38195133      0.509064436    
 H   -3.30074573       4.06172943       1.65668797    
 O   -1.93577206       2.31229472       6.61275482    
 H   -2.82103729       2.04499435       6.89075661    
 H   -1.59793246       1.58813965       6.07365417    
          69
 Energy    -248.50233068596310     
  O     14.14898734      3.05742813    -10.62324274
  H     14.16585547      2.11545549    -10.41357807
  H     17.14035378      4.74769715    -15.21207118
  O     12.38778899      3.45035131    -12.75423211
  H     13.55674454      3.15865954    -11.38355610
  H     14.93063163      9.53190143    -11.68268601
  O     16.77353924      3.31055641    -11.65182120
  H     11.79611967      4.12645920    -12.40453050
  H     14.07058437      8.75168321    -10.67023641
  O     19.17550558      6.56578855    -13.41522721
  H     12.95484492      3.89770078    -13.40089955
  H     14.71679530      7.29987783    -12.16503670
  O     11.96469715      7.83492143    -13.01714626
  H     17.16705161      4.16195561    -11.42284470
  H     14.37320717      6.00914563    -11.39905223
  O     13.17120568      0.75057877    -13.13128312
  H     15.88869762      3.29369049    -11.26146150
  H     13.61327584      4.65109192     -9.94528713
  O     14.30665725      0.26668974    -10.52276934
  H     20.08463759      6.38084462    -13.19443685
  H     12.46880490      5.61167407    -10.39452136
  O     17.66534674      9.00393953    -13.65643301
  H     18.64450773      6.33198914    -12.63556421
  H     14.63598153      0.58920545    -14.09066103
  O     16.63807196     10.23712999    -11.54033973
  H     12.27638794      7.67265501    -13.91662773
  H     15.45081318     -0.14576890    -15.18222268
  O     14.13899048      4.85570340    -14.33091177
  H     12.63496649      8.38085962    -12.58594294
  H     11.36788932      6.47631411    -12.13821038
  O     15.80683040      7.92874575    -15.33740070
  H     13.40220295      0.49832554    -12.22864473
  H     10.15090599      5.82975648    -11.43525187
  O     17.39422436      5.64292723    -15.46541429
  H     12.74830278      1.61673942    -13.06998770
  H     16.61892854      6.09283343    -11.74701580
  O     14.12937012      8.99749761    -11.60310581
  H     15.18619770      0.25957824    -10.94280894
  H     17.50168786      6.66827710    -10.63471193
  O     14.87195003      6.34655878    -12.15328064
  H     14.28867455     -0.45794080     -9.90423203
  H     16.55948738      3.26801369    -13.48167542
  O     13.30298818      5.56679568     -9.90682733
  H     18.29584354      8.27811772    -13.61294179
  H     16.12188427      2.28530532    -14.59464743
  O     15.51357664      0.52502583    -14.50769654
  H     16.97980684      8.72557026    -14.28444293
  H     16.90246204      1.42347828    -11.74821579
  O     11.07943577      5.70680031    -11.61354284
  H     16.92352110     11.14603173    -11.53219802
  H     16.41544911      0.40656491    -12.79995941
  O     17.48478914      5.98978232    -11.32420193
  H     17.04846645      9.82117839    -12.32238785
  H     12.69582045      6.91058158    -16.41421161
  O     16.35311803      3.20636392    -14.42539048
  H     14.87955447      4.26605223    -14.52118790
  H     13.38520324      6.19509054    -15.22910081
  O     16.65159100      0.49723342    -11.86820973
  H     14.43213195      5.43570544    -13.60947469
  H     13.89613966      7.07492969     -9.17380685
  O     13.02984964      7.04845233    -15.53114675
  H     14.87232649      7.74569412    -15.45951380
  H     13.84315587      8.19100755     -8.10614158
  O     14.22833218      7.95969438     -8.94772041
  H     16.27901060      7.09364915    -15.48215118
  H     17.00893553      8.88913968    -10.23188341
  O     17.04561917      8.12515904     -9.64128099
  H     18.09064409      5.90631554    -14.85081711
  H     16.15389106      8.03950402     -9.28461986
          69
 Energy    -248.50229795726682     
  O     13.87699758     13.83792530    -14.65504270
  H     13.29319329     14.58869392    -14.73141279
  H     17.59461709      9.51150134    -14.97344822
  O     15.82435841      6.03291250    -14.49916633
  H     13.46968105     13.11493504    -15.16062637
  H     15.09525944      9.46920332    -19.88153109
  O     18.77928118      9.49737282    -13.57245252
  H     14.93478330      5.87260955    -14.16246954
  H     15.08081127     10.07582913    -18.45939378
  O     17.73262243     12.35014463    -13.46751764
  H     15.70668511      6.42462164    -15.37365054
  H     15.16105885     10.79178904    -12.89681445
  O     13.10392936      5.78445627    -13.62425299
  H     18.93748427      9.91212002    -12.71155966
  H     15.41142545      9.29409996    -12.49719528
  O     16.70173807     10.15299266     -9.44430868
  H     18.54338070      8.58165360    -13.37501879
  H     12.56414097     11.07775633    -16.66949305
  O     13.34301664      7.24563929    -11.36067816
  H     18.01898590     11.46281417    -13.70771112
  H     12.74701542     11.06501479    -15.14844923
  O     12.19962417      9.64255965    -17.73085874
  H     17.46732104     12.78932132    -14.29018218
  H     18.43916659      6.15124472    -12.76219395
  O     15.98228039      8.12287699    -11.21968751
  H     13.14959557      6.29831838    -12.79819726
  H     17.14423836      6.56305378    -13.50093161
  O     15.30460558      7.64000957    -16.76464641
  H     12.69065589      4.95289723    -13.40714112
  H     12.08868775      9.83413029    -12.16504108
  O     12.69105533      7.63590943    -15.71082058
  H     15.84435318     10.57698224     -9.62952834
  H     11.14843598      9.99307902    -10.94946015
  O     16.72609259      9.56721888    -15.38927956
  H     16.82538577     10.18338323     -8.49917169
  H     14.67650380     13.05888571    -13.13843080
  O     14.77408023      9.32445408    -18.99527638
  H     12.84735051      8.05452017    -11.19257688
  H     16.10147709     12.58142691    -12.73704086
  O     15.12468102      9.87822192    -13.21066017
  H     14.27312175      7.46846085    -11.21403419
  H     18.12711704     10.74088565    -10.57984646
  O     12.92284814     11.59843978    -15.93592337
  H     12.16643727      8.89162752    -17.12431711
  H     18.52433731     11.71225067    -11.71216203
  O     17.84683066      6.88462275    -12.90746154
  H     12.95508565      9.47776369    -18.30803373
  H     14.62525122     11.39708535    -16.72582597
  O     12.05355395      9.81451466    -11.19384487
  H     16.71082426      7.68262555    -11.67528887
  H     16.00835856     10.70938382    -16.55925540
  O     15.16864459     12.56129461    -12.47461251
  H     16.34348076      8.71767574    -10.55005161
  H     13.55391581     10.78040719    -10.43722404
  O     18.83048702     10.94985261    -11.20657408
  H     15.16068057      8.02063550    -17.63857505
  H     14.56323660     11.86409896    -10.88184701
  O     15.47974244     11.26045316    -17.15758890
  H     15.86788937      8.27097585    -16.29052308
  H     16.33113652     12.82795082    -16.37199536
  O     14.33785699     11.26537815    -10.15549030
  H     12.69319683      6.93029297    -15.05118883
  H     15.70077376     13.79199754    -15.36898987
  O     16.55289195     13.48353348    -15.69976277
  H     13.58574912      7.64769039    -16.08076380
  H     12.42653916      9.00336852    -14.52026421
  O     12.52246160      9.73853867    -13.90047164
  H     16.10366069      9.67053296    -14.65191450
  H     13.45977198      9.74165005    -13.64371137
          69
 Energy    -248.50213091847110     
  O     10.26774653      9.44948482    -10.89215693
  H     10.09721448      9.31894668    -11.84319292
  H     15.96657851      7.62053795    -17.74605217
  O     13.85864653      7.73707037    -15.62381887
  H      9.58583484     10.02972298    -10.56543252
  H     17.86496782      7.78246931    -16.70230887
  O     18.26056812      9.68159745    -11.53291829
  H     14.64818012      7.94458629    -15.09519547
  H     17.35170335      6.41932178    -16.22725154
  O     18.12284347      9.34734106    -15.63833483
  H     14.13627072      7.78649613    -16.54574316
  H     16.01256364      8.73053949    -13.29284901
  O     12.57612900      9.85662002    -14.40470197
  H     17.36154350     10.00353395    -11.67686756
  H     16.49085733      7.38488169    -14.00120527
  O     15.95009266      5.70985495    -10.95767245
  H     18.18539714      8.84601150    -11.05358087
  H     10.49616307      7.54692003    -10.64341000
  O     13.10724938      5.73030559    -13.89700275
  H     18.86970449      9.38518629    -15.02994915
  H     11.70684552      6.60688365    -10.77806818
  O     15.62478834     10.30341233    -12.25224872
  H     17.38079864      8.99530016    -15.12176362
  H     19.70117681      7.37157384    -13.20879287
  O     15.93782926     10.58034118    -16.81460424
  H     13.20524012     10.57798498    -14.52999636
  H     19.06413199      6.65038019    -12.00823986
  O     15.28476840      4.12717772    -13.27045828
  H     12.93304046      9.10175423    -14.89467174
  H      9.60778348      5.46835920    -13.55812228
  O     20.00522821      9.25822567    -13.55521703
  H     15.84632747      5.05317592    -11.65424312
  H     10.41887818      6.17987349    -12.44799423
  O     15.16100297      8.06993214    -18.06210057
  H     15.10214066      6.17439163    -10.92440035
  H     16.69904900      5.09560209    -14.06206277
  O     17.41091680      6.98589538    -17.00831107
  H     13.34276156      6.37490699    -14.58039389
  H     18.05399712      5.88789473    -13.91860817
  O     16.04746977      8.23640465    -14.11813387
  H     12.14511658      5.74066558    -13.81469550
  H     17.37353068      6.58906487    -10.56113053
  O     10.73966249      6.62300721    -10.78111519
  H     15.43095739     10.82701605    -13.04114320
  H     18.48421303      6.83105905     -9.51457458
  O     19.37461211      6.51344307    -12.91231272
  H     14.77124913     10.12584907    -11.83619383
  H     14.74138691     12.60086942    -14.73748381
  O     10.35684555      6.04003690    -13.41033088
  H     15.59317427      9.83641897    -17.32087722
  H     15.15905344     11.28451770    -15.42992298
  O     17.25809432      5.77051017    -14.46078690
  H     16.81652129     10.30475558    -16.51492575
  H     13.39985898      6.54622523    -12.23719942
  O     18.18842966      7.09173081    -10.38277446
  H     14.48517762      4.61603738    -13.52635877
  H     13.38060680      7.86427710    -11.41463059
  O     14.73931930     11.65286789    -14.63201583
  H     15.07625223      3.19965198    -13.35016194
  H     12.12056841      9.68201591    -11.22592107
  O     13.48887107      6.90625482    -11.34435221
  H     20.83219997      9.69690895    -13.37500756
  H     12.83010714      9.69050321    -12.59981475
  O     12.98706872      9.62386059    -11.64573342
  H     19.40106960      9.48647130    -12.82473741
  H     10.13606717      7.96921011    -13.66248281
  O     10.06182431      8.92456853    -13.55280446
  H     15.08808802      7.88000424    -18.99309215
  H     10.84094145      9.31127714    -13.97551191
          69
 Energy    -248.50200773615040     
  O     17.55525748      9.67273974    -11.26896873
  H     17.72006339     10.48099232    -10.76869568
  H     12.70115420      8.36042909     -9.81424038
  O     13.77875996      6.15025846     -7.64444081
  H     18.33975870      9.11471096    -11.16215568
  H     13.45384808     10.23629443     -8.49659216
  O     18.20680931     11.75182336     -9.45983044
  H     14.54064628      5.82863179     -8.14247726
  H     13.75279534      9.86574946     -7.03461194
  O     11.81190137      6.72346996     -9.60383013
  H     13.06620650      6.25805802     -8.28677838
  H     19.30518723      4.90583430    -10.78411178
  O     16.10918899      8.11712528    -13.06727774
  H     18.24252699     12.68254131     -9.66264536
  H     19.98024934      5.24096062    -12.13257849
  O     19.77032676      8.10460072    -10.70563083
  H     17.53349200     11.64211563     -8.76159602
  H     15.75650623      5.47867413    -10.29181380
  O     20.27863943     10.01637308     -8.70817425
  H     12.09773347      6.43591582    -10.48947426
  H     15.95459575      6.68179820     -9.35210525
  O     18.76941296      5.93766467     -9.31182296
  H     10.87703047      6.54591865     -9.54456510
  H     21.43409116      7.09485476    -13.28015567
  O     12.72920799      6.19199041    -12.08829945
  H     16.75832197      7.67660084    -13.63649934
  H     20.34530428      7.39105307    -12.22230984
  O     16.42009306     11.34294440     -7.52605350
  H     16.59596634      8.72959808    -12.50022177
  H     18.91126499      6.77722766    -14.00792834
  O     13.48474962      8.85289478    -12.86811885
  H     20.09901513      8.72163782    -10.04055364
  H     17.80882961      5.72262025    -14.18733599
  O     13.25211843      9.12148467    -10.04116738
  H     19.39475202      7.34375031    -10.23516330
  H     14.97226129      8.70826647     -9.56865294
  O     13.73511444     10.60830050     -7.65173551
  H     19.58363252     10.65967238     -8.91728208
  H     16.44623549      8.88525439    -10.04421359
  O     19.48935552      4.55416011    -11.66560115
  H     21.00581916     10.51029672     -8.33612319
  H     13.58539118      8.05124912     -5.12958465
  O     15.98507228      5.71170852     -9.38241384
  H     17.82063256      5.75406142     -9.28736867
  H     13.92269658      7.47832144     -6.52468308
  O     20.54503040      6.86977664    -13.01821910
  H     18.98740495      6.40930001     -8.49371701
  H     16.04457770      4.90640718    -12.55610779
  O     18.02042980      6.64911174    -14.35670160
  H     12.84568347      7.06877159    -12.47418819
  H     15.69304900      6.40542811    -12.37162305
  O     15.88553116      8.44348107     -9.39663690
  H     13.60601468      5.78426688    -12.11348649
  H     19.65318454      8.48103285     -7.59984259
  O     14.02434469      8.25831468     -5.95015294
  H     15.46002599     11.27181761     -7.62528062
  H     18.37402508      7.96768521     -6.92470635
  O     15.43808283      5.51030731    -12.10948379
  H     16.67178923     10.52443228     -7.07964813
  H     16.44300314      8.60558644     -7.68596427
  O     19.24412009      7.68586912     -7.24416719
  H     14.41662179      8.61630385    -13.01566727
  H     15.87453980      8.49406273     -6.26505003
  O     16.69230662      8.65774465     -6.74929131
  H     13.21844008      9.39050869    -13.60959855
  H     17.51444463      3.13214201    -13.70680267
  O     17.44365376      4.01501662    -13.35497927
  H     13.28876918      9.15381238    -11.00505641
  H     18.17064997      4.12384990    -12.71533435
          69
 Energy    -248.50170390842624     
  O      1.18956725     -4.10889619      4.01179381
  H      0.94224573     -3.50791343      3.29959812
  H      5.97653135     -4.96124121     -1.15335996
  O      4.10024294     -2.11232125     -2.05188596
  H      0.87011693     -4.97760332      3.73017416
  H      4.98756641     -6.69172048     -0.17683736
  O      2.44610590     -8.73445392      0.26298989
  H      3.90855771     -3.00341852     -2.37884142
  H      3.87427866     -7.67272007      0.35103764
  O     -1.68957010     -3.65210491      0.22439362
  H      3.74947748     -1.50220030     -2.71117597
  H      2.32582023     -3.78295622     -4.13857160
  O      0.72565786     -3.01920346      1.39164689
  H      2.22217936     -8.89623828      1.18806648
  H      0.88511187     -3.31030191     -3.83854139
  O      5.99135026     -3.39714021     -0.40367137
  H      1.62430975     -8.51235259     -0.18951316
  H      3.32153670     -1.84149972      0.98797313
  O      3.87546857     -4.41780468      4.37846677
  H     -0.88145056     -3.35532238      0.67657068
  H      3.19783895     -1.66381500     -0.52752852
  O     -0.23437032     -3.31691552     -2.19842537
  H     -2.39844684     -3.09418216      0.53601316
  H      2.02482786     -5.26035388     -0.06199062
  O      4.17874861     -7.10804684      3.38136275
  H      1.23700568     -3.83054467      1.26625724
  H      3.15974832     -5.82308742      0.82852673
  O      2.08850778     -8.81017871      3.12797562
  H      1.28680712     -2.32164387      1.02808025
  H      0.74418286     -4.76581281     -1.86063726
  O      3.60929519     -4.70439587     -3.00045582
  H      5.55661042     -3.33898206      0.45691235
  H      0.87262874     -6.31918444     -1.60890433
  O      5.83644684     -5.81661123     -1.60027001
  H      5.50129249     -2.80026349     -0.98510189
  H      2.22981857     -1.52919752     -4.23967107
  O      4.49394957     -6.96806748      0.60320607
  H      4.13378678     -4.16002514      5.25967381
  H      2.67211256     -0.12725480     -4.72642313
  O      1.63368347     -3.17684326     -4.43298426
  H      2.91288726     -4.28465450      4.31791448
  H     -0.53421031     -7.42503172     -0.47241160
  O      2.76087750     -1.44449221      0.30932457
  H      0.12012595     -2.42965869     -2.02687493
  H     -0.50770644     -8.46669519     -1.61998341
  O      2.41091333     -5.20940452      0.82483495
  H     -0.90757647     -3.46020034     -1.52340945
  H     -1.58411933     -5.53056238      0.52403817
  O      1.35842772     -5.48703575     -1.66063994
  H      4.49924521     -7.03876744      2.47121056
  H     -0.80730348     -6.47825226      1.47142160
  O      2.58351220     -0.66946216     -3.94778589
  H      4.13797637     -6.21262699      3.73589569
  H      1.27585138     -6.11799491      2.01853604
  O      0.04525776     -7.88100185     -1.10985095
  H      2.86776796     -8.24917103      3.29891393
  H      0.98757566     -7.34321360      2.90842990
  O     -1.36967868     -6.45683398      0.68433459
  H      2.13876618     -9.54515517      3.73251313
  H      4.28614583     -3.55964414      2.75245549
  O      0.62898900     -6.48935822      2.63509172
  H      2.84312976     -5.07683210     -2.53780597
  H      3.63514458     -3.90499833      1.40840958
  O      4.25508455     -3.29157757      1.82666827
  H      4.38306536     -5.17029798     -2.66306947
  H      1.42114636     -0.83666488     -0.93470949
  O      0.82573905     -0.82144258     -1.69379035
  H      6.67910946     -6.08128547     -1.96011253
  H      1.37388652     -0.58937085     -2.45433308
          69
 Energy    -248.50125249982125     
  O     13.31923388      7.07381276     -7.92079421
  H     12.55449650      6.77447857     -8.44409380
  H     11.76801262      9.14527471    -16.84152440
  O     14.74098406      4.95901558    -15.28461842
  H     13.04522676      7.06602398     -7.00750775
  H     13.14647244      5.74277559    -15.18717975
  O     18.01371396      7.26726555    -13.92002195
  H     15.45736000      5.47378160    -15.67638790
  H     12.33734291      7.05268300    -15.50946761
  O     15.52328589     10.78925158    -14.37538501
  H     15.12787906      4.48707402    -14.53834831
  H     16.21590570      8.57607034    -11.82347939
  O     10.38566375      5.71358607    -13.04633659
  H     17.27232172      7.78772332    -13.57850366
  H     15.14342966      8.08948238    -12.82511935
  O     17.34358757      4.55774174    -11.02957292
  H     17.72381230      6.94913175    -14.78134346
  H     13.74458461      6.29193874    -12.16801770
  O     11.18372753      3.95257954    -11.18177597
  H     16.13855154     11.49472977    -14.19531271
  H     13.22988451      6.85684799    -13.51359855
  O     16.76650434      8.06993464    -10.17552779
  H     15.70956119     10.08125156    -13.73298478
  H     11.19049970      5.40065259     -9.89602914
  O     12.71951364     10.41751950    -14.10516943
  H     10.99543505      5.87397298    -13.77996661
  H     10.78443106      6.87762852    -10.01543322
  O     15.79452840      3.51728129    -13.01432749
  H     10.25814364      6.55524539    -12.59214453
  H     14.39560948      4.14230740    -11.97624245
  O     15.22989396      8.84476184    -16.44615273
  H     17.98880644      5.25974017    -11.17873526
  H     12.96757750      4.29031347    -11.32753339
  O     12.38595038      8.76320002    -16.22395918
  H     16.77869365      4.86938491    -10.31144165
  H     16.23457830      7.42928452    -16.44401000
  O     12.35018393      6.25316382    -14.96876025
  H     10.85321300      4.52855009    -11.89658737
  H     17.15122860      6.48871913    -17.25835387
  O     15.91447571      8.66830764    -12.73653424
  H     10.62027594      3.18472827    -11.16109661
  H     19.95249976      6.92154228    -11.42576109
  O     13.67562710      7.09920912    -12.69213916
  H     17.62667364      7.75084800    -10.47523837
  H     18.73660610      6.95014476    -12.38353164
  O     11.21746867      6.24398974     -9.43015465
  H     16.27781323      7.28200408     -9.89308324
  H     10.94635266      8.57772893    -11.40729843
  O     13.85491224      4.66762002    -11.37249322
  H     13.64021037     10.69832985    -14.18440711
  H      9.40556837      8.65414467    -11.31257385
  O     16.76970399      6.61647606    -16.39379565
  H     12.59971813     10.15320907    -13.18401052
  H     14.74866714      6.17228377     -8.73277518
  O     19.00506512      6.82213140    -11.45497241
  H     16.41770159      3.88944092    -12.36488289
  H     14.80735146      5.36759198    -10.04273236
  O     10.13529528      8.04249968    -11.36706013
  H     16.06183817      2.61288070    -13.15816747
  H     13.93864960      8.64951715     -8.80785959
  O     15.36374714      5.78794920     -9.36914841
  H     15.41180242      9.57074683    -15.83725973
  H     15.19000239      9.11885637     -9.56659461
  O     14.27764352      9.35906946     -9.36910357
  H     14.26876700      8.77042013    -16.48357104
  H     12.92431519      8.49881857    -11.93416332
  O     12.54537016      9.29199442    -11.52236410
  H     12.42653424      9.36495369    -15.45841729
  H     13.10309063      9.47738378    -10.75472981
          69
 Ord_Energy   -248.501251    
 O    3.96481895       11.6998949      -10.1101112    
 H    4.87690401       11.8145399      -10.4016190    
 H    3.47804761       11.4522238      -10.9140205    
 O    5.93370962       10.0718889      -13.4858761    
 H    5.23974466       9.40350437      -13.4070415    
 H    5.71872377       10.5713625      -14.2830582    
 O   -6.54090196E-02   11.4126415      -12.7794466    
 H  -0.298017144       11.7984343      -11.9253263    
 H  -0.185998544       10.4537382      -12.7409573    
 O  -0.407883942       12.7621231      -10.3200960    
 H   -1.03889060       13.4336357      -10.0747709    
 H   0.472399443       13.1787596      -10.2992582    
 O    2.53890395       9.59286499      -9.00798512    
 H    3.10582376       10.3357115      -9.24983215    
 H    1.61877203       9.89941120      -9.00421047    
 O  -0.384475887       8.19935226      -7.10387802    
 H   0.538295448       7.93978977      -6.98629332    
 H  -0.363373667       9.02744865      -7.60172224    
 O    5.49447727       13.6299706      -13.6519022    
 H    4.58403873       13.8870440      -13.4491940    
 H    5.83347082       13.1829758      -12.8670425    
 O    2.72099066       11.0895224      -12.4622602    
 H    3.05253792       10.2714357      -12.8491745    
 H    1.76037419       11.0978508      -12.5541925    
 O    2.37689304       7.48128366      -7.26510620    
 H    3.11617088       7.41917229      -6.66602564    
 H    2.54736495       8.24572754      -7.84199572    
 O   0.108435482       8.64918423      -12.8230724    
 H   0.793162763       8.34343147      -12.2085857    
 H   0.471397251       8.54222298      -13.7104445    
 O  -0.128520235       10.2824554      -9.03036308    
 H  -0.674926996       9.70748234      -9.59039307    
 H  -0.266275346       11.1832304      -9.34244633    
 O    2.37673092       11.0121851      -15.9213133    
 H    1.82823312       11.7579136      -15.6520586    
 H    3.29624963       11.2914686      -15.8274069    
 O    3.61592484       8.54349804      -13.3319883    
 H    3.21397781       8.14718246      -12.5448122    
 H    3.00077868       8.40355682      -14.0619345    
 O   0.631999254       13.0399857      -14.8760128    
 H  -0.126563877       13.4135218      -15.3171663    
 H   0.291016012       12.4721537      -14.1631069    
 O    2.14986134       7.80100346      -11.1303225    
 H    2.34370089       8.46657658      -10.4577246    
 H    1.89074850       7.00093317      -10.6516905    
 O    2.08379316       13.8072939      -10.3949404    
 H    2.30289221       14.0134211      -11.3133821    
 H    2.77757955       13.2067251      -10.0935631    
 O    1.35214198       5.83327198      -9.40618896    
 H    1.74357915       6.23081684      -8.61797905    
 H   0.396627545       5.88125944      -9.27493858    
 O    2.76086450       13.7770634      -13.1445742    
 H    2.05987740       13.7964945      -13.8052883    
 H    2.88125920       12.8353691      -12.9403276    
 O    5.10151529       11.7982740      -15.6266956    
 H    5.25606966       12.5059862      -14.9763288    
 H    5.65348005       11.9961634      -16.3794651    
 O   -1.40051782       6.35920572      -8.84601498    
 H   -2.08885026       5.82315159      -8.46139336    
 H   -1.11590087       6.98660421      -8.15711689    
 O    1.54887640       8.52903175      -15.2667894    
 H    1.81849730       9.42136574      -15.5514641    
 H    1.43238497       8.01026154      -16.0581608    
 O   -1.61225963       8.59679890      -10.5942078    
 H   -1.17242765       8.46044064      -11.4423933    
 H   -1.61415529       7.74705172      -10.1354589    
 O    6.40503979       11.8940678      -11.5197668    
 H    6.26866579       11.1882944      -12.1779881    
 H    7.32517242       11.8591957      -11.2710705    
          69
 Energy    -248.50093468837434     
  O     13.20595644     12.03508111    -17.31454883
  H     13.87749271     11.70515610    -17.92352684
  H     19.11233967     10.21413801    -13.74944751
  O     17.02119881      5.95931061    -14.02520855
  H     13.67006003     12.24226625    -16.49267641
  H     15.88696583     11.30173032    -15.95362658
  O     18.77269975     11.53147093    -15.00827292
  H     16.99055033      6.74126261    -14.59207159
  H     16.19920983     10.79861645    -17.39147679
  O     14.59766686      4.86086094    -14.46699184
  H     17.18337842      6.27113621    -13.12308826
  H     14.28000997      9.43680057    -13.28556430
  O     14.61166952      9.31182189     -9.83428916
  H     18.05309668     11.30568233    -15.62103748
  H     14.61244362      7.98153741    -12.82249884
  O     13.78103374      6.39855581    -12.26489578
  H     19.34737738     12.13801815    -15.46872462
  H     11.89309596     10.88101717    -17.31532403
  O     12.89494024     10.59482969    -13.52030955
  H     14.64366681      3.92450971    -14.63829603
  H     10.46331504     10.49966017    -17.76922596
  O     13.40443106      8.57990415    -18.44296651
  H     15.51182932      5.16845201    -14.31832086
  H     17.36508278      7.92602484    -11.33968547
  O     15.01700146      6.48503487     -9.84985326
  H     14.75884599      8.36665548     -9.70218335
  H     16.66121906      6.68373727    -10.80370065
  O     16.37181892      8.29855492    -15.44619856
  H     15.42614128      9.65282183    -10.22357047
  H     11.33583350      7.93334349    -13.38877436
  O     13.95067768      7.08985979    -16.10704699
  H     12.86695603      6.71376139    -12.33597450
  H     11.50955001      8.38566306    -11.91482829
  O     19.14392680      9.60444886    -12.99801599
  H     13.96265679      5.79494864    -12.99467223
  H     17.52256215     12.21217758    -13.63078143
  O     16.56754690     10.88356884    -16.50346143
  H     12.43266679      9.95110932    -14.07699159
  H     16.73545005     11.69088201    -12.41770068
  O     14.99528828      8.80128656    -13.15955619
  H     12.57188036     10.49546795    -12.61552600
  H     17.73276129      9.86898383    -11.93957363
  O     11.25317203     10.14823130    -17.36750262
  H     13.58574386      7.93703205    -17.74514385
  H     16.22129282      9.52930940    -12.10658993
  O     17.34211732      6.96818002    -11.42622756
  H     12.58469194      9.02136430    -18.18831069
  H     15.34768281     10.66659494    -19.82242608
  O     11.36281526      7.61418020    -12.47654280
  H     14.52883053      6.37849552    -10.68577516
  H     14.57904326      9.82687723    -18.77504254
  O     16.73929401     12.37832976    -13.09335656
  H     14.72955176      5.78538292     -9.26940776
  H     11.66882537     10.37124281    -10.25073955
  O     16.87096657      9.91857982    -11.49766786
  H     16.53377631      9.14041407    -15.88566704
  H     13.03988991      9.70965196    -10.51083016
  O     15.15767273     10.60204596    -18.89050908
  H     15.93538645      8.51189739    -14.60462409
  H     13.99363840     11.67071643    -14.42390684
  O     12.17702168      9.91119143    -10.91387780
  H     14.80003128      7.53568102    -15.97285663
  H     15.35156068     12.38874508    -14.25376775
  O     14.67955667     12.15139454    -14.90909628
  H     14.03617621      6.23496162    -15.67015554
  H     12.53255643      8.05819914    -15.41257473
  O     11.80333517      8.61073442    -15.09750028
  H     19.40355306      8.75502421    -13.35067231
  H     11.47873155      9.10488691    -15.86125670
          69
 Ord_Energy   -248.500809    
 O    4.09931707      -3.60783792       7.55048704    
 H    3.28613043      -3.11580014       7.39696217    
 H    4.16774511      -3.74197817       8.50805950    
 O    1.64725757     -0.502918005       9.06537342    
 H    1.88022232     -0.959950805       9.88287926    
 H    1.61684668      -1.15743828       8.35405159    
 O    2.35636663       3.13210726       7.23672295    
 H    1.52865791       2.66253805       7.44791365    
 H    2.17290306       4.06517744       7.30657387    
 O    4.89181757      -6.79215267E-02   10.9928694    
 H    5.61250114     -0.616621852       10.6592960    
 H    4.64673281      0.536265671       10.2797146    
 O    1.02196074      -3.98182178       4.86138344    
 H   0.417468488      -4.71817589       4.83137989    
 H    1.92399395      -4.35130405       4.86225319    
 O    4.41623878      -3.61313939       10.2614202    
 H    5.25725412      -3.14395070       10.3252754    
 H    3.76825571      -3.05267620       10.7059269    
 O    4.82158041      -2.60126829       3.72359014    
 H    4.50030041      -2.15570903       2.92860746    
 H    5.76145744      -2.41569424       3.84287572    
 O    1.13055563      -1.69648314       3.14903474    
 H   0.681692183      -1.04908347       3.70445967    
 H    1.05780113      -2.53616309       3.61911035    
 O    2.50569749       1.58997262       4.83313131    
 H    2.97984624      0.776582360       5.06738091    
 H    2.56508255       2.18516135       5.59023714    
 O    7.41785765      -1.96124375       4.56550455    
 H    7.26101398      -1.00538540       4.44306469    
 H    8.27688026      -2.15140152       4.19899797    
 O   0.233779788       2.18621995E-02   5.29437590    
 H   0.948454082      0.637793183       5.06692743    
 H   0.629250407     -0.669414103       5.83851433    
 O    6.77496338      0.625791132       4.35391712    
 H    6.04294920      0.897377431       3.78134990    
 H    6.50079012      0.809953749       5.26177168    
 O    4.51374912       1.23295939       2.84106946    
 H    4.15105200      0.461542130       2.38951945    
 H    3.79700255       1.56485641       3.39572763    
 O    1.72288561      -2.07592821       6.78341532    
 H    1.38903141      -2.76342297       6.19228554    
 H    2.43984103      -1.60506690       6.32247066    
 O    3.41969991      -1.20175505       1.76035953    
 H    2.57500410      -1.35115850       2.22195601    
 H    3.24440169      -1.30589032      0.828739882    
 O    3.74212241     -0.788300872       5.56182432    
 H    4.47678709     -0.367697686       6.02672005    
 H    4.11156368      -1.38690519       4.90045786    
 O    3.59842205      -4.73560810       5.01734734    
 H    4.07028913      -4.08366394       4.47906876    
 H    3.87124920      -4.56551647       5.92837095    
 O    6.50972843      -2.22536492       7.26817131    
 H    5.67913675      -2.72465444       7.26252890    
 H    6.88013887      -2.25169039       6.37796307    
 O    6.78941107      -1.97933459       10.0030365    
 H    6.80271864      -2.08897996       9.03848934    
 H    7.67972279      -2.13861322       10.3078098    
 O    2.71234393      -1.62338257       11.4176645    
 H    3.48854661      -1.03556621       11.3662291    
 H    2.39335728      -1.58389437       12.3154736    
 O    3.81105733       1.25278544       8.73980045    
 H    3.08454204      0.620274723       8.83701611    
 H    3.43290639       2.02413630       8.29994011    
 O    5.78047705      0.463454783       6.97718143    
 H    6.10602283     -0.408157110       7.23965740    
 H    5.16962385      0.774309456       7.65939093    
 O   0.209506482       1.55095923       7.75464630    
 H   0.563929141      0.864091814       8.33604336    
 H   -4.32261601E-02   1.10344636       6.93845367    
          69
 Energy    -248.50060224494104     
  O     13.79544206      5.03298445    -13.10681248
  H     13.84031252      4.70657028    -14.00287466
  H     10.10143975      4.73131048    -12.67462521
  O     13.03653426      3.69106585    -10.80013645
  H     13.27603555      5.85074967    -13.14743309
  H      8.65000009      7.12847477     -9.41417773
  O      8.46696120      8.05210719    -13.27749896
  H     13.37559610      4.12392824    -11.59880774
  H      8.12887973      8.56087633     -9.66970431
  O     15.17829678      7.14480774     -8.94255579
  H     12.48308752      4.33990631    -10.34038090
  H     11.94115336      6.38190784     -9.69739407
  O     12.49978928      4.83024761     -6.91417113
  H      8.80183540      7.15011354    -13.18892712
  H     10.60887252      5.56556721     -9.61079212
  O     10.53812358      3.08346876    -12.07109529
  H      9.21549394      8.57723364    -13.58676706
  H      9.67538979      4.76712396     -4.70762978
  O     12.17045662      7.27555308    -12.90887543
  H     15.09153277      6.17591815     -8.88705080
  H      9.75078935      5.73514302     -5.91036235
  O     11.03042071      9.43688964     -8.98813737
  H     16.09367143      7.32752635     -9.13636529
  H     14.23648443      7.44490324     -7.31156834
  O      7.50480986      9.47001367    -11.17261743
  H     12.13305579      5.11891019     -7.76796948
  H     13.26310548      6.51706691     -6.56736803
  O      8.69979634      2.77546057     -9.85416858
  H     11.75129969      4.79121066     -6.30783007
  H     14.29528615      4.06534336     -9.42714866
  O     10.09661513     10.68272946    -11.34405094
  H      9.93302650      2.84792738    -11.35785920
  H     14.10220689      4.42162312     -7.93756399
  O      9.86525527      5.66687172    -12.76214643
  H     11.42014595      3.10445721    -11.67874227
  H      8.66056943      4.62459487    -10.05277227
  O      8.62283279      8.02187946     -9.03977251
  H     11.79716028      8.07627215    -13.29623058
  H      9.14762276      5.64396459    -11.12105836
  O     11.54109115      5.56757969     -9.36508203
  H     12.44330648      7.50585018    -12.00733303
  H     12.29887479      8.47871676     -9.82547579
  O      9.97449623      4.83597050     -5.61014605
  H     11.26623733      9.51885357     -8.05627631
  H     13.67514079      7.70681910     -9.86458990
  O     13.60470529      7.42042538     -6.58353315
  H     10.21204706      8.91857032     -9.01809383
  H      9.93947054      3.47351351     -6.89326848
  O     14.73096748      4.47639607     -8.66817853
  H      6.63425325      9.80399241    -11.37089073
  H     11.13403012      2.90213068     -7.64559114
  O      8.87489110      5.55453618    -10.19519838
  H      7.77255917      8.91673419    -11.92895905
  H     12.38004536      8.60625741     -6.33922508
  O     12.82929966      7.83225415    -10.31280925
  H      9.21438247      2.72830134     -9.02987609
  H     11.85851550      9.83891527     -5.55953332
  O     10.18069948      2.82998105     -7.57438195
  H      8.01754051      2.11220215     -9.79178454
  H     10.64341599     10.04785785    -12.87801179
  O     11.63806820      9.23337583     -6.26175555
  H      9.16993145     10.42588965    -11.25517385
  H     11.01574220     10.30198260    -14.35812559
  O     10.84074072      9.61030456    -13.72585983
  H     10.52155275     10.41173104    -10.52034143
  H     10.16850041      8.01616897     -6.28742476
  O      9.47522895      7.36041531     -6.42856544
  H     10.68950427      6.16836479    -12.82109312
  H      9.05133903      7.59557662     -7.26373270
          69
 Energy    -248.50047856218765     
  O     15.90573596      8.99057356    -14.34783111
  H     15.42269551      8.23719282    -14.67656354
  H     16.81634833     11.09694594    -16.31247651
  O     17.24817913     15.22493139    -16.58589073
  H     16.38994394      9.36305894    -15.10677451
  H     18.92587822     12.11604190     -9.32574556
  O     19.94718134     10.98979368    -16.76010711
  H     16.90316298     15.76760726    -17.28971806
  H     19.08964354     10.60038857     -9.53703774
  O     19.63790638     13.56800123    -10.18821066
  H     18.00765861     14.73558924    -16.95230015
  H     21.36973054     16.68374399    -12.92358066
  O     15.28451098     13.06250273    -11.68362917
  H     20.30121387     11.21456129    -15.88423388
  H     19.82512372     16.68272249    -12.94353375
  O     19.87870444      9.48716782    -10.95199218
  H     20.64538294     10.53496019    -17.22588259
  H     20.75128693     12.46019814    -11.10945751
  O     16.02705213     10.87067651     -9.97544337
  H     20.16667428     14.34492921     -9.97345082
  H     21.01130762     10.96027749    -11.33462542
  O     20.91177555     14.49434897    -15.09802785
  H     18.91458982     13.86987961    -10.75966117
  H     16.86500182      9.38860222    -12.86440361
  O     21.26686404     15.83009730    -10.00093748
  H     14.91705853     12.58444779    -12.44074602
  H     16.81126637     10.07960997    -11.45637498
  O     20.67019871     11.87113458    -14.23804237
  H     15.46072949     12.38875164    -11.01684230
  H     20.05541251     14.13673460    -16.68470009
  O     14.48606537     11.54269152    -13.89218997
  H     20.09175591      8.56337183    -10.84483844
  H     19.50353068     12.84684289    -17.31042752
  O     17.20124672     10.21243720    -16.39710468
  H     19.03745462      9.52347896    -11.43755237
  H     23.02937705     15.18331519    -12.94828232
  O     18.55310566     11.25741247     -9.07923799
  H     15.45312974     10.55028788     -9.28472141
  H     23.77536843     16.17839685    -13.87166054
  O     20.58960739     16.91268409    -12.40247413
  H     16.89055950     11.05308641     -9.56316299
  H     19.40196381     15.28522983    -14.41692808
  O     21.35636871     11.83722908    -11.54118138
  H     21.67535427     14.94700276    -14.72059144
  H     18.01666962     15.73825833    -14.89625454
  O     17.40284644      9.76087398    -12.15233431
  H     20.92184739     13.58366394    -14.77100449
  H     22.52252304     14.68181013    -10.89501241
  O     19.43315880     13.80654849    -17.34948975
  H     21.39420435     16.51227354     -9.34754833
  H     22.60928217     13.27873106    -11.53613427
  O     22.91785830     15.80367302    -13.69137888
  H     20.96204996     16.27129152    -10.81432336
  H     17.95278791     12.85591372    -12.92581104
  O     18.59660387     15.73907005    -14.12618097
  H     19.72018793     11.95313323    -14.04850622
  H     17.80482692     11.31201751    -13.06616690
  O     23.01012147     14.15679950    -11.54320557
  H     21.09074533     11.80915394    -13.37198952
  H     16.96552647     12.56370529    -14.90295732
  O     18.07817259     12.11241122    -13.53071528
  H     14.95438358     12.04019099    -14.57793507
  H     16.52518263     13.61578986    -15.95877351
  O     16.33076164     12.73755157    -15.61558018
  H     14.80576417     10.63946361    -13.98170755
  H     16.74575488     14.04496295    -11.85568170
  O     17.67688753     14.31474044    -11.90730139
  H     18.13978620     10.35798251    -16.55973017
  H     17.82482547     14.91038084    -12.65275451
          69
 Ord_Energy   -248.500305    
 O  -0.397663653      -1.99414754      0.174854174    
 H  -0.171676055      -2.68283105     -0.461728066    
 H   -1.22125614      -1.61219168     -0.167854041    
 O   -5.28294945       3.89598179      -1.04462659    
 H   -5.50418043       3.01806068     -0.709745169    
 H   -5.30150604       3.81380248      -2.00658631    
 O   -1.27563429       2.48426771       7.61777088E-02
 H   -1.68817472       3.35205054      -2.22061407E-02
 H   -1.94601297       1.93013334      0.500425398    
 O   -2.66606593     -0.911424398     -0.915977776    
 H   -3.42900038      -1.44534194      -1.16579294    
 H   -2.36582947     -0.475860864      -1.72578216    
 O   -5.52611542       1.14000976     -0.437121153    
 H   -5.20832729      0.970351577      -1.33701098    
 H   -4.76367092       1.09823751      0.158117265    
 O   -4.93086624       3.37199640      -3.83934116    
 H   -4.01057291       3.66241765      -3.70308781    
 H   -5.24918795       3.82770514      -4.61397314    
 O   -4.77926064      0.645249784      -3.11071706    
 H   -3.83930564      0.484314024      -3.28957295    
 H   -4.96070099       1.52818251      -3.45518231    
 O   0.877858162      0.521147788      0.113391086    
 H   0.473035187     -0.343855232      0.266929388    
 H   0.204208672       1.19132233      0.276224136    
 O   -2.79122257       4.82591629     -0.438372642    
 H   -3.70458412       4.51552725     -0.571524739    
 H   -2.85025430       5.67316723      -4.66851983E-03
 O   -3.52523732     -0.893317759       3.29014993    
 H   -4.24297237      -1.40516138       2.87275887    
 H   -3.76545143     -0.773367763       4.20497608    
 O   -6.90250540      -1.20461905     -0.102727391    
 H   -6.50768661     -0.317918420     -0.167875037    
 H   -7.84744024      -1.09215176     -0.167842105    
 O   -3.71351385      -4.50813437       1.07590139    
 H   -2.99881649      -4.03608990       1.54108751    
 H   -3.77508116      -5.37289953       1.47411537    
 O   -1.83475089      -3.02197123       2.33935189    
 H   -2.26335216      -2.26178241       2.74971008    
 H   -1.21401834      -2.67086220       1.68612957    
 O   -5.01168442      -2.00281882      -2.07124734    
 H   -5.02112865      -1.19769359      -2.60635781    
 H   -5.72716904      -1.90082002      -1.43148470    
 O  -0.462405413       2.32332563      -2.60601735    
 H   0.347849220       1.80388153      -2.67135763    
 H  -0.698158562       2.36196589      -1.66681242    
 O   -3.12103105      -4.09198952      -1.66522491    
 H   -3.34649634      -4.28598976     -0.745613575    
 H   -3.82171679      -3.51523638      -1.99214220    
 O  -0.416844249      -3.81007051      -1.98325276    
 H   -6.79212734E-02  -4.66518879      -2.22075772    
 H   -1.38298237      -3.91402245      -1.91889668    
 O   -3.23330379      0.806712866       1.09378159    
 H   -3.02048564      0.156390205      0.403805792    
 H   -3.29209208      0.322974712       1.92634249    
 O   -3.11095193E-02  -1.51470757      -3.65754461    
 H   0.643048346     -0.947314441      -3.26195431    
 H   -9.36763436E-02  -2.30761409      -3.11156821    
 O   -5.36581659      -2.36796165       1.97230566    
 H   -5.95145750      -2.02046418       1.28961933    
 H   -4.92774630      -3.14462447       1.60196781    
 O   -2.09134221      0.222088426      -3.36780500    
 H   -1.44603121     -0.455107003      -3.62121296    
 H   -1.58847654       1.02595758      -3.18231869    
 O   -2.42525721       4.21757030      -3.21872735    
 H   -1.66583645       3.62077308      -3.19199991    
 H   -2.49371672       4.57540989      -2.32484412    
 O    1.68634284      0.471677423      -2.46654058    
 H    1.47909570      0.468507648      -1.51433790    
 H    2.62765622      0.602593303      -2.54298520    
          69
 Energy    -248.50030195182882     
  O     17.40876813      9.38096125    -11.35494922
  H     17.74273595     10.04153046    -10.72937002
  H     18.24037187      3.34535591    -13.47173777
  O     14.01791589      4.70587393     -7.57682396
  H     18.14303305      8.78083623    -11.53985337
  H     15.08272606      5.05606267     -9.03875484
  O     12.11869887      6.51040494     -8.23687208
  H     13.28018384      5.29486730     -7.82214256
  H     15.62877385      6.37842794     -9.64934499
  O     15.19149169      8.72276331    -12.81115143
  H     13.63144293      3.89355226     -7.26096074
  H     18.66145226      5.87144315    -13.86794384
  O     19.53175431      7.61694279    -11.52850532
  H     11.92998098      6.79372987     -9.13903781
  H     19.18898268      7.19879982    -13.31250532
  O     20.57002925      8.79486245     -9.16214442
  H     12.25943803      7.30871252     -7.71231635
  H     16.78636037     11.60815660     -6.46131651
  O     18.22240453      5.34373084    -10.52874318
  H     15.49819168      8.44213694    -13.68197339
  H     15.89035285     10.81510102     -7.43752868
  O     11.80226801      7.32403169    -10.93101831
  H     15.98360783      9.03099594    -12.34323098
  H     16.52235439      7.93112766    -16.00657785
  O     14.24141882     10.59621582     -8.02908652
  H     20.02934648      8.04498948    -10.82155265
  H     17.29887970      7.40449116    -14.77740674
  O     13.59571414      9.50244162    -10.57678772
  H     19.10824173      6.83535726    -11.14257838
  H     14.98173998      8.56411221     -9.66355873
  O     12.86196312      8.64499767     -6.50336190
  H     21.46258888      8.84426802     -8.83055702
  H     16.46021951      8.49190373    -10.10253242
  O     18.03764469      4.20892972    -13.12165243
  H     20.15011579      8.03063959     -8.72707284
  H     19.25602889     10.21187541     -9.17485555
  O     15.54945451      5.42168019     -9.79974413
  H     18.26028769      4.86133107    -11.36466851
  H     17.99635961     10.86963412     -8.54526758
  O     18.79171128      6.79987102    -14.09776461
  H     17.29679706      5.29825157    -10.25010186
  H     14.66329974      6.06001378     -6.34926168
  O     16.78989768     10.87325320     -7.06900713
  H     11.04621415      7.23742954    -11.50605999
  H     15.66586608      7.22548910     -6.15905194
  O     16.40959352      7.62174215    -15.11180454
  H     12.54097168      6.86308204    -11.36484627
  H     14.57983752      5.86940110    -11.27007312
  O     15.81015858      8.09711793     -9.50486561
  H     13.96178914     10.45057633     -8.94071990
  H     14.51363258      7.09399778    -12.24242195
  O     18.52689580     10.82078149     -9.34953751
  H     13.73216873      9.97285204     -7.49407465
  H     18.90382477      6.08376708     -8.82883899
  O     14.81289613      6.87913273     -5.86279954
  H     12.85779173      8.88315293    -10.63653798
  H     18.48245800      7.04795762     -7.67909511
  O     14.08482007      6.25742243    -12.00612491
  H     14.06622883      9.43227974    -11.41842437
  H     17.10403572      9.00315625     -6.84569626
  O     19.24270921      6.67069638     -8.14318342
  H     12.33856184      8.85432291     -5.73367526
  H     16.57730262      8.04084800     -7.90907029
  O     17.04308054      8.06413434     -7.05809881
  H     13.56804523      8.04238272     -6.20617509
  H     14.97606986      5.32758608    -13.40002542
  O     15.62787309      5.07199200    -14.06459911
  H     17.14505377      4.43643244    -13.43760152
  H     15.81762696      5.87945098    -14.55903604
          69
 Energy    -248.50001714608436     
  O     13.94847753      4.54370219    -10.18170119
  H     14.36371750      5.05970169     -9.48006716
  H     13.08484142      9.14813832    -14.71577897
  O     17.36954934      9.06125708    -14.26437842
  H     14.68172022      4.23163748    -10.72674691
  H     16.64851554      9.76529506    -11.10240032
  O     15.67943203     11.09329292    -10.41255737
  H     18.24873874      8.66567083    -14.31640498
  H     17.18745010      9.10586103    -12.43456331
  O     12.81900560      7.73406537    -15.89861628
  H     16.76592141      8.46038450    -14.72403291
  H     14.00252752      7.98835536    -11.19493424
  O     18.34236704      3.75452584    -13.57569757
  H     15.56898532     11.82159248    -11.03849881
  H     15.34435165      8.38543076    -11.86177187
  O     12.13188283      6.02153625    -13.87408893
  H     14.79825215     10.91027601    -10.07107397
  H     10.94396248      5.44272466    -10.69102171
  O     17.35228169      6.48094486    -10.35226245
  H     12.23492813      7.65060973    -16.64766964
  H     12.48526951      5.37558044    -10.73854376
  O     12.83238601     10.64508884     -9.70499501
  H     12.48530392      7.12379097    -15.21693494
  H     19.71981442      7.07089564    -13.45197827
  O     18.07254456      5.65263249    -15.51367326
  H     18.74552996      2.97641906    -13.95126967
  H     20.67588186      7.83510953    -14.39865141
  O     15.15382987     13.03542776    -12.41059775
  H     18.19249577      4.37445769    -14.31152048
  H     14.67337735      6.51646289    -12.89119777
  O     12.62967416     11.71622602    -12.17189657
  H     13.04605516      5.70852463    -13.79579718
  H     15.34619826      5.11598646    -12.87027935
  O     13.35699742      9.71664444    -13.98674798
  H     11.83074508      6.10707381    -12.96430498
  H     16.37102452     10.63326319    -14.41269914
  O     16.99768841      8.95248770    -11.49928483
  H     17.28961311      7.36881494    -10.73745259
  H     14.83866959     10.76987874    -14.36372116
  O     14.45319833      8.05693005    -12.04339248
  H     16.73585642      6.46899849     -9.61078374
  H     14.82397596      7.46946481    -15.88696157
  O     11.71776786      5.93838594    -10.94908189
  H     12.44699823     11.26056939     -9.08662098
  H     15.45270589      6.59647042    -14.79973143
  O     19.76050545      7.60448905    -14.26585561
  H     12.68141258     11.01443237    -10.59362130
  H     19.21882853      5.11784812    -12.53133654
  O     14.82922111      5.71616459    -13.41821522
  H     18.70812944      6.32462317    -15.23615927
  H     18.90101167      6.12360375    -11.40529295
  O     15.65832871     11.28337976    -14.38706138
  H     17.25681828      6.12822946    -15.71267979
  H     17.01262333      3.90218586    -12.28594328
  O     15.67482232      7.19526675    -15.53185124
  H     15.45036259     13.91494549    -12.62555508
  H     16.72657314      4.98228270    -11.20899195
  O     19.51467649      5.94377996    -12.12840607
  H     15.40200724     12.46345223    -13.16067257
  H     15.23767151      6.54443058     -7.50231918
  O     16.34445811      4.21627228    -11.66375466
  H     12.72804804     11.05015995    -12.86657895
  H     14.51287399      7.05092321     -8.77008533
  O     15.22069417      6.46451460     -8.45292628
  H     13.39124327     12.30277019    -12.26452169
  H     12.47317393      7.37728405     -9.97355323
  O     13.16232323      7.90893424     -9.55292752
  H     13.71550403      9.13057710    -13.30367275
  H     12.92147909      8.84558142     -9.57785293
          69
 Energy    -248.49964747856887     
  O     10.38553057      9.82760008    -16.41857405
  H      9.79264007      9.18022862    -16.04607451
  H     17.71277826      7.76722590    -14.38097671
  O     16.27720043      7.76232462    -11.04099158
  H     10.46668333     10.53251766    -15.75457322
  H     18.95935020     10.62144961    -14.31639990
  O     15.55971949     12.01933524    -14.02841562
  H     16.69559888      7.74639755    -11.91370417
  H     19.45194580      9.46915957    -15.21899135
  O     12.53869512     10.07281405    -18.05485042
  H     16.50211719      8.61753263    -10.65675055
  H     16.11909546     10.90598517    -10.30836661
  O     13.34703505     10.34137653    -14.16039004
  H     15.74673958     11.99797787    -14.97651199
  H     17.35542560     10.71697498     -9.39746363
  O     13.59492270     13.41594178    -12.66212111
  H     16.30470505     11.58957317    -13.58804604
  H     16.86069029     11.63812781    -17.05229933
  O     13.82253927      6.97435894    -11.86788348
  H     11.76271037      9.92946606    -17.48618378
  H     15.64019868     10.70925112    -16.80333199
  O     12.29439005     14.14243015    -15.15333014
  H     12.23505824      9.98909926    -18.95584590
  H     10.83878670     11.78961426    -13.60797825
  O     17.64912553      8.61847535    -17.83307996
  H     12.55786044     10.84362772    -14.39064103
  H     11.25533672     12.63434045    -14.83763412
  O     12.82823985      9.62419870    -11.51201930
  H     14.09101141     10.95708342    -14.10641885
  H     13.96086916     10.89450986    -10.78148033
  O     18.98606225      7.63771367    -15.69282732
  H     14.37103385     13.01122163    -13.07913196
  H     14.27882982     12.36699240    -11.10536332
  O     17.06813962      8.01510294    -13.70717108
  H     13.12470187     13.82801439    -13.39661414
  H     13.01603449     11.87415128    -17.48585972
  O     19.46551807     10.42875365    -15.11655707
  H     13.58121614      6.14366862    -11.46703029
  H     14.35674538     12.47442933    -17.05966031
  O     16.96926837     10.43728318    -10.22287024
  H     14.68911552      7.22180610    -11.49634719
  H     17.57390171     10.61718647    -11.97379774
  O     15.95238525     11.62225043    -16.72799055
  H     12.73307769     13.67897001    -15.88982527
  H     17.44390639      9.70279749    -13.21623654
  O     10.91288109     11.77104074    -14.57440233
  H     12.01929227     14.99137139    -15.48940690
  H     14.76149479      8.48380008    -16.27930023
  O     14.57168218     11.61707191    -10.57782629
  H     17.96796671      9.52684644    -17.90427263
  H     14.11506640      9.29164646    -17.43899289
  O     13.41528451     12.67970202    -17.13945033
  H     16.69514305      8.67359394    -17.68654608
  H     12.00658048     12.50419378    -12.01019201
  O     17.67650967     10.60046775    -12.93327255
  H     12.99115912      9.89762198    -12.42772783
  H     11.57717933     11.10524012    -11.53802726
  O     14.96001144      9.00390834    -17.06844493
  H     13.04684602      8.68685698    -11.48597302
  H     18.96334792     11.07035864    -16.65056980
  O     11.23164653     11.94157099    -11.87449881
  H     19.58140550      6.93582486    -15.94044844
  H     19.26868853     11.83471629    -17.96277471
  O     18.60181584     11.31620994    -17.52180041
  H     18.51726552      7.91128405    -16.50171294
  H     13.99229235      8.74907522    -14.45763136
  O     14.40164275      7.87156211    -14.53951042
  H     16.18398865      7.94849936    -14.09202507
  H     14.13943312      7.39460414    -13.74316500
          69
 Energy    -248.49943578021208     
  O     17.91279437      8.35493102    -13.03527905
  H     18.31343598      8.31175345    -12.15873311
  H     13.27296907      9.89177876    -14.70279150
  O     12.86518434     11.38176741    -11.55404934
  H     17.12582635      8.91593598    -12.93510853
  H     11.21206096     11.21565292    -14.22701919
  O     18.66297016      9.79950746    -15.21507096
  H     13.14430594     10.57029404    -11.10876140
  H     12.12466725     10.89123740    -13.01695396
  O     10.72294406      8.20522199    -12.56219310
  H     13.66149098     11.92739252    -11.61752370
  H     15.44350718      6.05374507     -8.78072566
  O     16.54995427      6.04098610    -13.77834439
  H     19.24913952      9.32186807    -15.79630785
  H     15.69495236      6.02233182     -7.25457614
  O     18.71546095      8.53606812    -10.39089445
  H     18.45881282      9.20488065    -14.47264856
  H     13.69406974      8.16480675    -11.08286721
  O     19.67749993     11.15337469    -10.75093726
  H     11.02833239      8.98651811    -13.04558246
  H     14.69538891      9.26360098    -11.48591473
  O     16.28625108      9.02227231     -9.07257874
  H     10.03176965      8.51393010    -11.97971775
  H     18.60427280      6.71772162     -9.95481949
  O     13.00278860      6.72723141    -12.03425546
  H     17.09289397      6.80762781    -13.55044317
  H     17.60654039      5.98624526     -9.03768166
  O     16.27682265     11.29852537    -15.78572162
  H     16.67632517      5.40363974    -13.06485215
  H     15.99861681     12.34669918    -11.06447089
  O     14.13642543      6.78416115    -14.65771392
  H     17.86667699      8.71712773     -9.95931117
  H     15.90509044     12.95104159    -12.51791697
  O     14.12615966      9.57097437    -15.02312009
  H     19.17201719      9.38364235    -10.46115627
  H     17.24564591      3.46002304    -11.52133120
  O     11.74181268     10.52549065    -13.83656465
  H     20.46914684     11.61149934    -10.48137201
  H     17.48236236      4.86842956    -10.93045135
  O     16.00963487      6.40476663     -8.06896078
  H     19.50207746     11.41616095    -11.67185121
  H     15.17527405      9.83721788    -13.57963776
  O     14.10898687      8.97644509    -10.76824289
  H     15.48122399      9.02863671     -9.61138503
  H     15.67882637     10.82185814    -12.47817886
  O     18.27565879      5.84033486     -9.71890010
  H     16.23791776      8.20602054     -8.56018176
  H     19.08257806     11.20347630    -13.98729750
  O     15.41172193     12.50083834    -11.82237247
  H     13.41170152      6.70563002    -12.90813808
  H     18.39538219     12.49093485    -13.51114589
  O     16.93072363      4.35958241    -11.55154836
  H     12.13314124      7.13309546    -12.16020261
  H     16.56835141     12.67573328    -14.73464670
  O     15.71699747      9.90561771    -12.78235452
  H     17.05725523     10.73671133    -15.69264358
  H     16.82078038     14.19473944    -14.58798977
  O     19.11586651     11.88384017    -13.30428637
  H     15.50952676     10.72113353    -15.68926492
  H     17.95677685     11.57818319    -10.03224439
  O     16.81515294     13.37428581    -14.10211850
  H     15.02655502      6.49456675    -14.38424192
  H     16.75715732     10.86352871     -9.37953204
  O     17.03503082     11.69942623     -9.77496357
  H     13.81610597      6.13843015    -15.28248418
  H     15.31941238      4.94691569    -10.70259238
  O     14.63116792      5.35691724    -10.16407329
  H     14.10264108      8.60496894    -14.98190623
  H     14.00117483      5.75064799    -10.78026487
          69
 Energy    -248.49938342468994     
  O     15.95601230     10.94131544     -9.36291380
  H     15.07921767     10.79883687     -9.74725736
  H     13.08613402      6.06461166     -6.04812935
  O     15.22690929      4.31650532     -8.45773647
  H     16.60583849     10.69356664    -10.03564484
  H     16.82608465      7.07254971    -11.54174386
  O     16.59241529     12.38807268     -7.15784452
  H     15.51390036      4.58024286     -7.56380463
  H     16.46002938      7.61467027    -12.93867306
  O     12.71942768      5.47065385     -7.63354911
  H     15.39041049      3.38027498     -8.53447424
  H     15.81498842      5.68724795     -9.51400311
  O     13.59883611     10.25140178    -10.57791427
  H     16.40116386     13.31486891     -7.27536692
  H     15.92719757      7.22231358     -9.27772469
  O     17.69136031     10.06142406    -11.30570555
  H     16.31827655     11.93816731     -7.97613467
  H     18.74715861      8.99813337     -3.99248486
  O     19.72276842      9.61914475     -9.41619627
  H     12.29789575      5.99284982     -8.32697270
  H     18.10014014      8.52713586     -5.31708705
  O     11.59927293      7.07757544     -9.66935554
  H     13.47914881      5.03119707     -8.03321448
  H     16.16594893     10.61917795    -12.41491463
  O     15.71015684     10.54188060     -5.15345062
  H     13.69952332      9.32932670    -10.84752122
  H     14.64992955     10.72899649    -12.13747140
  O     12.04084092      9.66064615     -8.40895176
  H     12.98795351     10.22765284     -9.82564951
  H     14.91979065      8.60349555     -7.49247039
  O     13.70688617      9.01041164     -6.23443704
  H     18.47064067      9.99407099    -10.73959779
  H     15.85668354      9.34064790     -8.48689973
  O     13.41537229      6.41158290     -5.19799209
  H     17.56535921      9.18034311    -11.69070800
  H     18.23493038     11.45047605     -7.11449758
  O     17.18415738      7.54449607    -12.30520644
  H     19.46106537     10.04773334     -8.58208231
  H     18.84872222     10.32430365     -6.27044056
  O     16.05535821      6.52140483     -9.93761548
  H     20.65414678      9.79240367     -9.53065405
  H     16.57226757      5.90499705     -6.06608673
  O     18.28208476      9.30783863     -4.76496616
  H     10.80144571      6.92779904    -10.17143125
  H     15.12488383      5.63159021     -5.58761790
  O     15.30088171     10.62428902    -12.84376990
  H     12.31610042      7.19733425    -10.31387092
  H     14.02530098      7.61522648    -12.23396178
  O     15.67118148      8.48168489     -8.08825623
  H     16.54605308     10.14022335     -4.88922717
  H     14.53565925      7.11051883    -10.85632593
  O     18.95325748     10.80628027     -7.09947022
  H     15.94698789     11.24726332     -5.76866103
  H     19.20370140      7.79120728     -9.16847831
  O     15.89417592      5.21941315     -5.99935176
  H     12.53479113      9.51076803     -7.59114763
  H     18.14265713      6.70269497     -9.43493893
  O     13.77136835      7.48832606    -11.31043409
  H     11.77075377      8.78818303     -8.71834048
  H     18.25291516      7.08824594     -7.22681241
  O     18.91760103      6.90668764     -8.90394922
  H     13.59067169      8.18343939     -5.75113112
  H     16.92556409      7.81417461     -6.97190570
  O     17.64217174      7.34271456     -6.52074094
  H     14.33910799      9.56459096     -5.75056053
  H     14.97740621      9.06904788    -13.57925372
  O     14.81363012      8.13888372    -13.82028036
  H     12.83008275      6.08342470     -4.52041172
  H     14.62766533      8.12311055    -14.75474181
          69
 Energy    -248.49912172174695     
  O     15.14596536      6.35562773     -8.33804820
  H     15.21906074      6.63111638     -7.42684757
  H     11.90597769     10.02663576    -17.13511172
  O     13.19926802      5.02602516    -15.55819836
  H     14.27082712      6.64485371     -8.64322602
  H     11.80306125      7.92294916    -15.64784013
  O     16.67417573      5.48436399    -14.31597147
  H     13.98342041      5.24192773    -16.07752988
  H     12.11733945      6.41617729    -15.31043657
  O     16.20383061     10.09011245    -14.71586428
  H     13.51697011      4.52715457    -14.79581618
  H     16.53308860      7.81141490    -12.10277644
  O     10.50388680      6.76766757    -12.48917989
  H     16.62051649      6.35899953    -13.90623881
  H     15.33947850      7.87598332    -13.10185928
  O     16.50353118      4.07187324     -9.38613295
  H     16.40643522      5.58175897    -15.23814226
  H     13.32467061      8.72554387    -12.77742079
  O     13.01279943      5.67556369    -11.68731980
  H     16.34078891      9.36179817    -14.08758509
  H     12.98366017      7.67859720    -13.87886428
  O     16.84741509      7.55280108    -10.31875304
  H     16.99993896     10.61568982    -14.70448600
  H     12.07877104      7.81791562     -9.70953163
  O     13.47016174     11.00921753    -14.55227684
  H     11.19396465      6.16280610    -12.18813123
  H     12.91882306      6.62290887    -10.20941092
  O     16.05868774      2.38572827    -11.47360974
  H     10.71121441      6.94369661    -13.41744989
  H     17.78080990      4.46474686    -13.27654323
  O     15.04790117      8.50101064    -16.79774479
  H     15.93594774      4.74417872     -8.99202083
  H     17.56963810      3.29992524    -12.28770993
  O     12.38979407      9.48307662    -16.51903587
  H     17.32199124      4.52680971     -9.62168237
  H     15.41779368      6.82120228    -16.88356569
  O     11.64766383      7.21278122    -15.01424402
  H     13.49330216      4.96396671    -12.12602233
  H     15.89053958      5.62836712    -17.75021528
  O     16.30831899      7.91942964    -13.03529444
  H     13.23919273      6.47862017    -12.18333947
  H     14.97279351      3.30860038    -12.67936202
  O     13.61610255      7.89885840    -13.18279642
  H     17.60629212      6.95633038    -10.37206448
  H     15.27557025      4.51003418    -13.59731867
  O     12.86188474      7.29332897     -9.50836891
  H     16.26149768      7.15703345     -9.66084469
  H     19.69111553      5.43803341    -10.19657714
  O     18.21178793      3.96178912    -12.57080786
  H     14.41244230     10.80007357    -14.55651973
  H     18.63952775      4.97883861    -11.23375683
  O     15.60503964      5.86513710    -16.87207545
  H     13.17560584     10.90843975    -13.63724273
  H     10.56045996      8.08000630    -11.34539192
  O     14.55446001      3.96745664    -13.24697568
  H     16.14543492      2.95013410    -10.68460043
  H      9.85697568      9.03058262    -10.34809475
  O     18.76894935      5.50992139    -10.42705765
  H     16.03378731      1.48404943    -11.16501980
  H     14.07327547      8.74042367     -9.83810380
  O     10.71395152      8.77181656    -10.67613996
  H     15.50392317      9.06701666    -16.16367014
  H     15.53136251      9.05449447    -10.19580313
  O     14.66519106      9.46150435    -10.09238116
  H     14.13100833      8.80138143    -16.81012913
  H     11.99944266      9.89696150    -11.51585548
  O     12.79367992     10.25824970    -11.92860432
  H     12.70689958     10.07444384    -15.81216736
  H     13.51057997     10.16454191    -11.28158147
          69
 Ord_Energy   -248.499069    
 O   -10.1232615     -0.737652898       2.68454504    
 H   -10.2531776      0.185175717       2.92881370    
 H   -10.0872822      -1.26789904       3.49501991    
 O   -7.65903330     -0.826727271      -1.21215236    
 H   -6.96351385     -0.197137594      -1.44151437    
 H   -8.51868057     -0.424038440      -1.39057457    
 O   -6.60559750      -3.79587722       4.50311184    
 H   -6.79742622      -2.94090700       4.90927601    
 H   -6.07059050      -3.58463907       3.72523737    
 O   -5.41175222      -2.75629759       2.24330378    
 H   -6.20556545      -2.25154471       2.01447821    
 H   -5.04337502      -3.09045100       1.41631663    
 O   -3.93186021     -0.523932159       2.96821427    
 H   -4.37501192      -1.36897492       2.79485226    
 H   -3.94152904     -0.414354265       3.92699361    
 O   -9.73105431      -2.30466628       4.86910486    
 H   -8.88988304      -1.99850655       5.22987318    
 H   -9.57494259      -3.19456649       4.52901602    
 O   -4.44667673      -3.35384274     -0.305983156    
 H   -5.34645462      -3.47344971     -0.660436034    
 H   -3.90735960      -4.04477739     -0.680467427    
 O   -7.13396645      -1.16671443       5.45428371    
 H   -7.49473143     -0.316506952       5.16833353    
 H   -6.20559120     -0.986242473       5.64458370    
 O   -4.41379786     -0.241668820       5.76701117    
 H   -3.87060714     -0.477356881       6.51539326    
 H   -4.76139021      0.649937212       5.94320774    
 O   -3.87225628     -0.563627005       4.59799208E-02
 H   -3.71763635     -0.457400143      0.991043508    
 H   -3.98848605      -1.50999916     -0.108521841    
 O   -7.01395321      -3.54950261      -1.11356723    
 H   -7.27427483      -2.63894320      -1.31230521    
 H   -7.66685724      -3.87886596     -0.483302921    
 O   -10.9019423      -1.93645775      0.310499430    
 H   -10.3843784      -2.74613976      0.385155529    
 H   -10.8181162      -1.50670886       1.17478359    
 O   -5.63305426       2.17323732       6.13876820    
 H   -6.47452307       2.02745700       5.67667007    
 H   -5.48538494       3.11557031       6.12854099    
 O   -8.86706734      -3.84173465       1.01669240    
 H   -8.44267464      -3.00000906       1.22789836    
 H   -8.97050667      -4.29354572       1.86359417    
 O   -10.1968946       2.01769996       3.22044992    
 H   -9.97502899       2.13140035       2.27660012    
 H   -10.9392567       2.58732796       3.40109968    
 O   -7.79176331       1.45179772       4.57571507    
 H   -7.20682526       1.36328530       3.80605316    
 H   -8.65339375       1.71435046       4.23328161    
 O   -7.67676687      -1.25379825       1.51754570    
 H   -8.52931881      -1.01986241       1.91443646    
 H   -7.69897795      -1.06410491      0.567438424    
 O   -6.21005487      0.966367781       2.40297699    
 H   -5.34267473      0.593938529       2.60531712    
 H   -6.73909760      0.232979804       2.05992794    
 O   -9.55810642       2.13940620      0.622060537    
 H   -8.64092922       2.37204862      0.413681954    
 H   -9.84644222       1.51357639      -4.99910004E-02
 O   -8.96400166      -4.82172060       3.67576861    
 H   -8.08042431      -4.55160856       3.98640585    
 H   -9.14418602      -5.67366934       4.06447935    
 O   -10.2713108      0.125751927      -1.32215202    
 H   -10.9234962      0.249672547      -2.00635362    
 H   -10.5656281     -0.633127272     -0.785782397    
 O   -6.86659384       2.57823586      0.206482619    
 H   -6.55523396       2.16252160       1.02236533    
 H   -6.38088703       2.13470054     -0.497963518    
 O   -5.47201872      0.868675888      -1.61478937    
 H   -4.96169233       1.12951350      -2.37674665    
 H   -4.86111069      0.404935211      -1.01432180    
          69
 Energy    -248.49841281244218     
  O     11.34526587     12.29167629    -12.78562106
  H     10.58814466     11.71036116    -12.81206262
  H     21.27801367      8.35438739    -15.52334011
  O     19.86331368      9.05857330    -11.37721906
  H     11.68057317     12.24886284    -11.87728714
  H     17.25469265     12.50762038    -15.29387746
  O     16.97764232     11.17401538    -11.18733373
  H     19.09753811      8.92090680    -10.80473750
  H     18.07363452     12.43037768    -13.98508073
  O     12.94025789      7.25900146    -12.95660541
  H     20.01636351      8.21186654    -11.81209080
  H     13.10865055      7.26942551    -16.10500760
  O     17.21439998      6.63812670    -12.42132206
  H     17.69487487     11.23338071    -11.83243400
  H     13.29555660      7.66518434    -14.62375850
  O     14.81746875      5.62368121    -11.51619119
  H     17.05604151     10.30463247    -10.76867258
  H     15.71864640     10.65801008    -12.36889502
  O     19.99062502      6.57169889    -12.85914418
  H     12.81760966      7.98276680    -12.32835692
  H     14.60939975     10.95854387    -13.43532630
  O     13.64245075     12.24304520    -14.30864523
  H     13.52053352      6.62917978    -12.51161225
  H     14.03744881      9.66767472    -16.12446612
  O     18.29010280      9.46786898    -15.45542670
  H     18.15683776      6.51294473    -12.58436176
  H     13.98739916     11.16708615    -15.74071911
  O     17.25069178      8.55388653    -10.31731122
  H     16.85416956      7.14792950    -13.16318589
  H     14.69640396      6.93499155    -10.06042412
  O     16.86071655     11.43473038    -16.82245342
  H     15.69941622      5.89538666    -11.82029671
  H     14.12499487      8.35339911     -9.97847800
  O     20.51817954      7.88647148    -15.18542346
  H     14.86306800      4.68507803    -11.35120645
  H     16.14681179     13.85985303    -13.76912134
  O     17.45114330     12.98085461    -14.47617233
  H     20.20985572      6.98989693    -13.70962818
  H     15.42682476     15.21811876    -13.58883302
  O     13.59357848      7.85673785    -15.53143651
  H     20.63742008      5.88575759    -12.71448057
  H     15.06890345     13.57220896    -11.67032058
  O     15.06927481     10.25474484    -12.96021006
  H     14.14919630     13.02782426    -14.06512164
  H     15.71741430     12.46551351    -10.81840764
  O     14.34260965     10.54196925    -16.38953752
  H     12.79382318     12.28753904    -13.84571780
  H     12.29343221     12.32184516     -9.38056915
  O     14.73376774      7.74487877     -9.53805991
  H     17.90940730     10.13859912    -16.03539693
  H     13.41091917     12.42893385    -10.44461658
  O     15.34677859     14.28518582    -13.40997559
  H     17.54289097      8.95325794    -15.11551171
  H     18.76230134     10.45269090    -13.93095855
  O     14.95715791     13.06195836    -10.85944776
  H     16.42782784      8.34155501     -9.85393411
  H     19.41866586     10.38910978    -12.53427604
  O     12.53351516     12.04527233    -10.26059041
  H     17.28344327      7.93073944    -11.05509860
  H     13.82971661      9.67027341    -11.79381161
  O     18.96552979     10.98420142    -13.15033378
  H     15.95772622     11.09082699    -16.69776825
  H     12.83161953     10.24377364    -10.77003704
  O     13.13883821      9.41910006    -11.16128861
  H     16.89575307     11.79667514    -17.70382403
  H     15.77781232      8.93510011    -13.85355936
  O     16.11264011      8.19426312    -14.38554810
  H     19.75156753      8.45306101    -15.37103891
  H     15.36301560      7.90709852    -14.91881620
          69
 Energy    -248.49834148770185     
  O     16.89617549     11.63152258    -15.54278194
  H     16.74227072     11.41715995    -16.47059304
  H     18.95281106      5.05763138    -15.88277972
  O     14.27258879      7.26867364    -16.19182619
  H     16.03358048     11.58901527    -15.11292323
  H     19.42255783      8.13432804    -17.46377560
  O     17.51662282      6.64209713    -11.62313988
  H     14.27697022      6.45460319    -16.70899698
  H     20.21577700      6.83345784    -17.29945250
  O     19.65629860      4.99594769    -17.57830183
  H     15.18699202      7.38161191    -15.88433354
  H     17.39965812      6.68647469    -15.28306313
  O     17.27202425      5.74846823    -18.60428866
  H     18.38892291      6.32891821    -11.88863934
  H     17.04348920      8.03380933    -14.58691168
  O     13.68293635      7.02358054    -13.51295210
  H     17.41452560      7.48856079    -12.08647330
  H     14.33433891     10.72318085    -13.57903437
  O     17.19702794      8.95628486    -13.03892833
  H     18.80979034      5.20508634    -18.01534016
  H     13.75934461     12.07524690    -14.04886381
  O     15.91396137      3.99047363    -15.05285438
  H     20.09727188      4.35206305    -18.12493190
  H     13.94039152      9.01409367    -16.66352052
  O     13.20302745      6.06679882    -10.92762684
  H     16.42519725      5.45155029    -18.25297329
  H     13.93292877     10.40076877    -15.97044943
  O     20.34217430      8.34773744    -14.39300973
  H     17.30353590      6.70928231    -18.49311936
  H     20.13416429      6.95065891    -13.41894148
  O     14.82425739      4.80062610    -17.39226894
  H     13.68653837      7.10838429    -14.47508091
  H     20.83748565      5.82734432    -12.62076775
  O     18.42582753      5.16203714    -15.07954576
  H     14.37941071      6.38347870    -13.30412573
  H     14.76263933      5.07910405    -11.77701775
  O     20.24058389      7.77512963    -17.09466580
  H     17.78984469      9.69135255    -13.23747223
  H     16.18743239      5.54482465    -12.18470492
  O     16.87991903      7.49604326    -15.37128757
  H     16.31795266      9.29655587    -12.83336975
  H     16.09859820      7.45743960    -10.43971808
  O     14.30311070     11.34155328    -14.32688554
  H     15.63177327      4.21564012    -14.15818469
  H     14.58285125      7.26605588    -10.24083278
  O     13.92201697      9.96660156    -16.83155022
  H     16.84192447      4.26324026    -15.09116762
  H     15.28305334     10.50645583    -17.76554371
  O     19.98563286      6.11436145    -12.93787145
  H     13.12069611      6.45156645    -11.81538840
  H     15.89666705     11.31821020    -18.93343365
  O     15.40613249      5.06120638    -12.49291261
  H     12.32484254      5.80394910    -10.66330963
  H     14.17494258      8.64882362    -12.84884518
  O     15.29033247      7.92122827    -10.19027415
  H     20.36727071      8.17112440    -15.34588038
  H     14.76475802      9.10090303    -11.50120841
  O     16.12144028     10.81085598    -18.15846498
  H     19.95687306      9.22277585    -14.28784511
  H     18.27979853     11.18055787    -14.60804297
  O     14.52572359      9.42229793    -12.38267952
  H     14.33615935      4.08616129    -17.79244808
  H     19.42802425     11.64663853    -13.68241116
  O     18.96141602     10.87191590    -13.98403302
  H     15.18279217      4.45959608    -16.55199380
  H     17.36507051      8.18869167    -16.96259095
  O     17.60943247      8.43756543    -17.86736674
  H     19.01922478      5.38497959    -14.35225943
  H     17.15005227      9.26094924    -18.06423179
          69
 Energy    -248.49823446318885     
  O     10.82002019     -6.26920726     -7.11922516
  H     11.25445853     -5.46647127     -7.43270629
  H      8.79187378     -2.56095392     -1.92302564
  O      6.59135899     -3.62257883     -0.32707756
  H      9.87675753     -6.18187974     -7.30147674
  H      6.45904859     -6.53290559     -1.03863006
  O     10.13742550     -4.05072347     -4.46543339
  H      6.70846116     -4.55903514     -0.12550348
  H      6.61345168     -7.11746182      0.38578627
  O      5.50957532     -6.40417264     -2.49506488
  H      7.47969100     -3.26368946     -0.44676727
  H     12.06045701     -1.82122110     -2.56022976
  O      9.90176937     -2.68106069     -6.88654345
  H      9.73848381     -4.91317750     -4.29747511
  H     12.27718178     -3.29348210     -2.19687273
  O      9.36648670     -6.61483940     -3.62389928
  H     11.02239091     -4.10192428     -4.08972913
  H     13.08090477     -2.28097627     -5.00869552
  O      6.99070939     -6.26680819     -4.90792931
  H      5.91247361     -6.48935418     -3.36846101
  H     13.31455792     -3.77183210     -4.68860259
  O      9.51560545     -5.66009419     -1.02279806
  H      5.09723413     -5.53128218     -2.47478524
  H      7.71292082     -5.15678443     -7.56686087
  O      6.17394902     -3.57347817     -4.71095374
  H      9.96637667     -3.18878057     -6.06258942
  H      7.59512181     -6.48504363     -8.34995501
  O     12.43299495     -0.77368001     -4.08041181
  H     10.66419438     -2.95580241     -7.40784347
  H      8.13606910     -3.07368527     -7.25302223
  O     11.83811903     -7.21878488     -4.82701454
  H      9.46584533     -6.35074212     -2.69861858
  H      6.79586950     -3.34454347     -6.51807122
  O      9.22381809     -2.89999641     -1.12456636
  H     10.20599112     -6.97673125     -3.93231567
  H     12.54182425     -5.45591687      0.05041934
  O      6.97908958     -6.47563456     -0.21668370
  H      7.80223770     -6.47219737     -4.41850826
  H     11.29784856     -5.81455155     -0.78052801
  O     11.86462011     -2.48357037     -1.88430201
  H      7.22591456     -6.33099954     -5.84066374
  H     12.64220429     -5.29502782     -2.45551771
  O     13.32384730     -3.12693580     -5.40651638
  H      8.69674632     -6.02376532     -0.66256854
  H     12.47757636     -5.73891959     -3.92086583
  O      7.98545582     -6.09235426     -7.57310605
  H      9.40516137     -4.69862785     -1.07299508
  H      9.93829736     -1.07438803     -5.89896550
  O      7.27063655     -3.49715322     -7.34453459
  H      6.45746754     -4.49784147     -4.76436025
  H      9.28528006     -0.83281754     -4.53430144
  O     12.26817645     -5.79286616     -0.79973939
  H      5.56394845     -3.52128962     -3.96446920
  H      7.49809334     -2.53829091     -3.98013981
  O     12.67160244     -4.96936456     -3.36771535
  H     11.54919364     -0.61176019     -4.45575918
  H      9.01175488     -2.78773997     -3.86071688
  O      9.95970744     -0.48501472     -5.13278981
  H     12.86727192      0.07358235     -4.02658309
  H      3.91819305     -3.23318534     -2.00758965
  O      8.30809029     -2.16996186     -3.60545882
  H     12.29057250     -8.04182556     -4.98896908
  H      5.37501678     -3.55176147     -1.59819332
  O      4.71786528     -3.65579818     -2.30912804
  H     11.48781353     -6.91114143     -5.68385619
  H     12.90967070     -3.76405987     -8.48585409
  O     12.26222996     -3.88599957     -7.79688320
  H     10.16129809     -2.68588711     -1.23321240
  H     12.68666154     -3.61617909     -6.96241723
          69
 Ord_Energy   -248.498093    
 O  -0.461906314      -3.53833914      -2.09961176    
 H  -0.993447065      -4.28290081      -1.83244514    
 H  -0.833224416      -2.75283480      -1.65448153    
 O    6.08866692     -0.117998347      -1.10625315    
 H    6.73368120     -0.441293240     -0.483014286    
 H    5.70157242     -0.898595631      -1.54234672    
 O    2.57830806E-02  0.475626856      0.637214661    
 H   0.429237008       1.32843077      0.393902063    
 H  -0.136537045      0.511296213       1.57636333    
 O    6.45943403      0.951033652      -3.74563670    
 H    6.49154902      0.626652122      -2.83588839    
 H    6.03558350      0.250841051      -4.25210142    
 O    4.99087381      -2.14725089      -2.53447056    
 H    4.91688204      -1.87048578      -3.45500350    
 H    4.16958332      -2.60959363      -2.32463551    
 O    2.14511514       4.33752728      -4.25484896    
 H    2.97466159       3.90183306      -4.01526737    
 H    1.85526001       3.92930269      -5.07862663    
 O   0.860797167      0.173621744      -3.38005924    
 H    1.24158347      -8.21078494E-02  -2.53047299    
 H   0.393293679     -0.595592141      -3.72923875    
 O    4.22951937       2.58340502      -3.63752699    
 H    3.68092680       2.00782943      -4.18928576    
 H    5.12332582       2.21901751      -3.69662499    
 O    2.06817937     -0.549054563     -0.973545074    
 H    2.72046041      0.164840043     -0.980748415    
 H    1.38911617     -0.313916057     -0.328420252    
 O   0.496328741       4.46409988      -2.11677933    
 H    1.09497249       4.47005987      -2.88493013    
 H   0.214604169       5.36484623      -1.98065102    
 O    3.84362578       1.58438182      -1.05672038    
 H    3.92365789       2.00642562      -1.92356622    
 H    4.65756893       1.08066189     -0.928003073    
 O    1.39433432       2.69142413      -9.44809616E-02
 H    1.10712600       3.34209633     -0.746536136    
 H    2.29617405       2.44055462     -0.331105918    
 O   -2.80715156      0.191155240      -2.95351338    
 H   -2.78415513      -9.33429524E-02  -3.87349153    
 H   -2.31039739       1.02125561      -2.93193054    
 O   -1.07550693       1.97473037      -5.91880035    
 H   -1.12776768       2.21686840      -4.98310041    
 H   -1.48851120       1.10591865      -5.98158264    
 O    1.37028873       2.84171534      -6.61596918    
 H    1.35075223       3.23905659      -7.48209286    
 H   0.464005947       2.53717351      -6.42446852    
 O  -0.955340624       2.27858281      -3.15274954    
 H  -0.279705971       1.58345628      -3.17459893    
 H  -0.552861214       3.05413771      -2.74800706    
 O  -0.273751229      -2.14832354      -4.54374838    
 H   0.611599624      -2.39239144      -4.85385275    
 H  -0.449273080      -2.68455720      -3.75978231    
 O    2.34849024      -2.81093884      -4.90454769    
 H    2.40158415      -2.94647503      -3.94639182    
 H    3.12643886      -2.29853725      -5.13597679    
 O    4.71071386      -1.02815127      -5.20457411    
 H    5.08189487      -1.15078342      -6.07601452    
 H    4.02309418     -0.342238873      -5.27737761    
 O    2.33768201      -3.03237104      -2.09479380    
 H    2.29505444      -2.17210078      -1.64741647    
 H    1.44258630      -3.38787317      -2.03874660    
 O   -2.23677635     -0.626181602      -5.69302368    
 H   -1.54623234      -1.22025084      -5.35323477    
 H   -2.79229212      -1.15138674      -6.26360178    
 O    2.74117136      0.847934604      -5.24806929    
 H    2.32802033       1.48578227      -5.84377813    
 H    2.06829119      0.588359118      -4.60000324    
 O   -1.47679460      -1.30177164      -1.04589021    
 H   -1.06602550     -0.661304295     -0.456209034    
 H   -2.01304412     -0.798290312      -1.67677474    
          69
 Energy    -248.49793350667227     
  O     12.21556121     10.31060601    -15.51243440
  H     12.79087269     11.07288589    -15.37531726
  H     15.77953074      9.98095822    -15.01045240
  O     16.01005202      6.60989582    -12.91462663
  H     12.54913752      9.86120029    -16.29770758
  H     14.15077772      8.30029411    -14.65977036
  O     16.91536126     10.64371733    -11.38822715
  H     16.74313284      7.03038382    -12.44439074
  H     15.29707139      8.07389991    -13.65806728
  O     13.33173191      6.83807941    -15.72104622
  H     15.25366132      6.56777581    -12.31219030
  H     11.38085660      9.56870611    -14.13575862
  O     13.91192909      9.28525362     -8.61879721
  H     16.04848240     10.83492089    -11.77182848
  H     10.00712687      9.36814001    -13.46139000
  O     13.77493548      6.81897303    -11.27834533
  H     16.80243370     10.66478344    -10.42954118
  H     17.05924934      8.58545331     -8.81893147
  O     14.41459505     10.98852851    -12.57504947
  H     14.15039565      6.32563595    -15.70772876
  H     17.59853638      7.67103678     -9.93362677
  O     16.00436464      6.01775513    -15.64601731
  H     12.79446429      6.57942574    -14.95823754
  H     12.51225942      6.42071710    -12.65021101
  O     14.75220445      6.53993787     -8.67315551
  H     14.06910070      8.33764022     -8.52228535
  H     11.49386602      7.32995074    -13.37259881
  O     18.52738054      7.30818761    -16.09803127
  H     13.34788468      9.38571385     -9.39651209
  H     18.92725268     10.22003289    -13.84882177
  O     19.71756279      8.47495895    -13.92878683
  H     14.04467646      6.59240016    -10.37948333
  H     17.99572479     11.02068847    -12.91143510
  O     16.24686609     10.69803777    -15.46725364
  H     13.43841978      7.72525572    -11.24294251
  H     17.61590336      8.97735889    -11.63140362
  O     14.79026330      8.76254089    -14.10799099
  H     14.47948113     10.15778393    -13.07656434
  H     18.67735732      8.15662624    -12.41192136
  O     10.93371012      9.15661272    -13.37641213
  H     14.25953800     11.67248000    -13.23509896
  H     16.51516746     10.95378880     -7.88498794
  O     17.19422401      7.65948948     -9.05651417
  H     16.06610469      6.13607638    -14.68535000
  H     15.47464944     10.06700516     -8.61040248
  O     11.93283735      6.47104360    -13.42110214
  H     16.08431013      6.89284839    -16.05305287
  H     16.33089690      9.38203145    -16.72386001
  O     18.38155844     11.01439576    -13.79726893
  H     15.66456782      6.85882345     -8.79673790
  H     15.30644385      8.57943713    -17.52913315
  O     18.00353147      8.09416889    -11.72395005
  H     14.78610285      5.85040586     -8.01602649
  H     11.95406950      9.33392003    -11.79889715
  O     16.39398888     10.38764424     -8.64244393
  H     17.99383959      6.52968710    -15.90274120
  H     13.26271821     10.08641600    -11.51964266
  O     16.20895427      8.54392064    -17.19334587
  H     17.95932457      7.84033343    -16.67006964
  H     14.93242550     11.88740712    -15.28590611
  O     12.66340409      9.42155585    -11.15044531
  H     20.66075878      8.35707972    -14.01057037
  H     14.24402945     13.26940361    -15.38131440
  O     14.13800840     12.38879236    -15.03149781
  H     19.31801927      8.06063162    -14.71264336
  H     12.86727020      8.46275975    -18.43498862
  O     13.33919013      8.70897982    -17.64308699
  H     17.04411777     10.88819166    -14.95059814
  H     13.24544606      7.96480402    -17.01967522
          69
 Energy    -248.49781073165286     
  O     11.57832535     13.71215984     -9.64956709
  H     10.75992840     14.12896732     -9.38848371
  H     13.36509462     12.90350488    -12.42123859
  O     10.64890385      9.63518210    -16.06868862
  H     11.58266328     13.72066307    -10.61855696
  H     15.96004439      7.91044900    -12.02828777
  O     10.60679475     10.23045959     -9.57859079
  H     10.11331288      9.15795216    -16.69596364
  H     15.73467645      7.31873310    -10.60319387
  O     12.17687132      9.15639143    -13.75716768
  H     10.06574017     10.28088122    -15.62999411
  H     12.54416452      8.12873995    -12.32616038
  O     15.59256984     12.46530390     -8.58566654
  H     10.75325948      9.29680469     -9.38001433
  H     13.74040473      7.47104516    -11.55123712
  O     12.64685522     11.69648080    -16.19947007
  H     11.28342078     10.71319965     -9.09273616
  H     16.49500825     14.58976338    -11.36508629
  O     10.52546793     10.88325535    -12.24684884
  H     12.99991409      9.62275377    -13.96192731
  H     15.60180885     13.35427228    -11.61814121
  O     13.55293246      8.79492189     -7.77031560
  H     11.64789309      9.15582483    -14.56402469
  H     11.90648694      7.56719747    -10.01976899
  O     14.01950509     10.31317880    -10.79221383
  H     15.85007571     13.02076414     -9.33076387
  H     10.96587285      6.73241673     -9.11334635
  O     12.98658851     11.61827042     -8.55546043
  H     16.06703658     11.63391298     -8.72294331
  H     17.11728543      9.95244919    -12.78924971
  O     17.73053252     11.21107259    -11.74576012
  H     13.39407378     11.33685535    -15.70429002
  H     17.43143000      8.84169849    -13.81518797
  O     14.24639707     12.51012820    -12.38809748
  H     12.03040296     10.96295714    -16.31683855
  H     11.44811957     13.66783773    -13.32699515
  O     15.47944083      7.23842518    -11.53029051
  H     10.47369209     10.63736154    -11.31236421
  H     11.21461100     12.51037224    -12.32454706
  O     12.83052449      7.79605388    -11.46507665
  H     11.11688955     10.26042716    -12.68875809
  H     16.50519795      9.16520872     -9.14341653
  O     16.36805133     13.67818345    -11.11460380
  H     12.78000201      8.34275348     -8.13506312
  H     15.70465037     10.11085560    -10.05739169
  O     11.43208582      7.56181933     -9.16830091
  H     13.36013231      9.73670650     -7.81330562
  H     14.47065789     11.34816495    -13.76530444
  O     16.72701548      9.21394776    -13.28938743
  H     13.59248514      9.47085558    -10.98191547
  H     15.26473308     10.06428539    -14.10022391
  O     11.61810043     13.38861517    -12.41935367
  H     13.57168274     10.71026826    -10.03197938
  H     11.08279658     14.43213838    -15.78893327
  O     16.54074461     10.02703878     -9.57234401
  H     12.47481090     12.37953841     -8.86958001
  H     11.73192195     13.04809423    -15.55532266
  O     14.49987162     10.58913799    -14.36591507
  H     13.89234164     11.94737373     -8.43521637
  H     16.09345158      6.88866414     -7.99207309
  O     11.14226451     13.71632827    -15.16204940
  H     17.42813364     12.11813175    -11.62864690
  H     15.01584561      7.95433323     -8.29765208
  O     15.81688103      7.52422381     -8.64663555
  H     17.50675999     10.76591759    -10.91417052
  H      9.75658939     12.36902290    -14.86982309
  O      9.29599269     11.54173403    -14.68423947
  H     14.18497274     11.71914520    -11.82771377
  H      9.52160894     11.31679009    -13.77028178
          69
 Energy    -248.49770200354976     
  O     18.37253223     11.25533122    -17.59447819
  H     18.15337929     10.57879696    -16.93291385
  H     16.53475960      6.17930015    -12.85778539
  O     14.88714478      6.21635316    -13.86019985
  H     17.58955732     11.81132577    -17.69233801
  H     17.89813977      8.44944031    -15.92164698
  O     17.24398185     13.17910715    -11.33606407
  H     14.31415575      5.45400866    -13.86211441
  H     16.71838649      9.42778237    -15.56475441
  O     15.65398096      8.05923954    -18.76295895
  H     15.19170344      6.33611791    -14.77777190
  H     15.89638342     13.73102019    -17.78033385
  O     14.11241963     11.18687491    -11.32929829
  H     17.82345843     12.96725784    -12.08082774
  H     16.02088227     12.84021692    -16.52347878
  O     14.57960431      8.75582351    -12.70120574
  H     16.41029587     13.47611642    -11.71988571
  H     16.93706757      9.64016574    -10.76825751
  O     18.61917392     12.29758543    -13.62295220
  H     15.24371093      8.89323727    -18.47329963
  H     17.72113944      9.23756576    -12.05545363
  O     19.76140380      6.79862050    -13.44620255
  H     15.13891534      7.74624647    -19.50274550
  H     14.57323931     10.17029479    -16.85674792
  O     15.04695614     10.04520335    -15.10298098
  H     14.07428409     10.34023716    -11.79227319
  H     14.98699377     11.22498766    -17.88811157
  O     18.59563881      6.75200562    -16.02925890
  H     14.82080158     11.10460473    -10.67841324
  H     16.67665078     11.31023682     -8.82713083
  O     15.87152428      6.50401887    -16.35751021
  H     15.43662952      8.82596477    -12.25354996
  H     16.84536352     11.87156201    -10.26052263
  O     17.33785691      6.31373454    -12.34118344
  H     14.53756621      7.86054736    -13.06094671
  H     18.51898594      9.54066295    -14.18903656
  O     17.66879605      9.36783415    -15.72735190
  H     19.17099494     12.56575844    -14.37194555
  H     19.45548671      8.70239590    -13.30148363
  O     16.02423702     12.82962709    -17.49567084
  H     18.85044124     11.38054961    -13.42412645
  H     14.37702976     12.70326553    -12.13375885
  O     17.03866111      8.94871315    -11.43320006
  H     20.43503575      6.25179292    -13.05142552
  H     13.96115923     14.17519263    -12.37162178
  O     14.58377348     10.35380240    -17.80807239
  H     18.91368961      6.53968827    -13.03968665
  H     19.55424196      7.75022885    -18.66743844
  O     16.51611621     11.11277899     -9.74564963
  H     14.80215566      9.61797372    -14.27315942
  H     20.64508195      6.70501335    -18.96082073
  O     18.98494172      9.54308222    -13.33713187
  H     15.34996235     10.94020893    -14.89705995
  H     16.96830619     12.50386637    -14.38444865
  O     14.65027331     13.54134633    -12.54960886
  H     19.20970187      6.79532652    -16.77768872
  H     15.53670843     13.02198473    -14.05130450
  O     20.13905166      7.09215928    -18.25227554
  H     19.10629151      6.69525398    -15.21395481
  H     19.52031176     12.26485285    -16.59977363
  O     16.07860191     12.62426376    -14.74513548
  H     16.83242122      6.42404278    -16.26726011
  H     20.90583156     12.84269217    -16.27262213
  O     20.01010691     12.79128881    -15.94848533
  H     15.72554580      6.99752685    -17.17199442
  H     17.44792666      8.61443817    -19.09577590
  O     18.35626835      8.91453974    -19.22594240
  H     17.20441834      7.13874738    -11.85383183
  H     18.41644387      9.78445515    -18.81239240
          69
 Energy    -248.49740808025493     
  O     12.13173584     11.02372556    -15.04296920
  H     12.76321815     11.72960296    -14.86121214
  H     17.66939113      5.79237121    -15.51232749
  O     15.71290495      6.65967487    -13.27039532
  H     11.78658491     10.71466041    -14.19630109
  H     15.73576568     11.29305664    -17.13570157
  O     16.95363684     10.53457068    -10.83489955
  H     16.62712682      6.76814437    -12.97267250
  H     16.79360193     11.41462503    -16.01997136
  O     17.85375438     10.09407667    -15.10662026
  H     15.13995214      6.83018354    -12.51222454
  H     14.66491630      9.03485494    -15.17426448
  O     12.82523873      6.38668827    -15.82459848
  H     16.35091158     10.82105312    -11.53768684
  H     15.45165902      8.21587991    -14.10053601
  O     15.06926890     10.51900545     -8.81084335
  H     16.45652548     10.64150179    -10.01219439
  H     11.41322099      8.85255632    -12.89962595
  O     14.15281944      7.40189953    -11.11452243
  H     18.29156349     10.13242131    -14.24778916
  H     10.16060181      9.68830766    -12.54417915
  O     15.06210902     11.13435862    -12.74407793
  H     16.98435028      9.68926594    -14.95634143
  H     17.40806154      7.30349942    -10.86564096
  O     16.48951992      7.75576913    -17.77296117
  H     12.93733742      7.31383554    -16.09923806
  H     16.83055006      8.64763104    -10.40774590
  O     19.08546367      8.34187388    -16.81440665
  H     12.09108318      6.04014293    -16.32634740
  H     12.78150507      7.10212216    -12.46687882
  O     15.63575321      5.83516039    -15.88069840
  H     14.99661317      9.81906755     -8.16439371
  H     12.42082808      6.87258027    -13.96281550
  O     18.51263156      6.09409091    -15.15787648
  H     14.32406375     10.39605424     -9.41902829
  H     19.84056657     10.19336019    -12.19583458
  O     16.06087064     11.88023456    -16.44152461
  H     15.01822089      7.39661932    -10.67703316
  H     18.33210365     10.16074401    -11.86922507
  O     15.36612696      9.08440790    -14.51456991
  H     13.81592612      8.30210070    -11.01479024
  H     18.66345228      7.99125420    -12.62020587
  O     11.10069352      9.75233544    -12.69198376
  H     14.81003169     11.89064092    -13.28582587
  H     18.55556820      6.67029507    -13.43509848
  O     16.76467355      7.69532234    -10.26282265
  H     15.13914698     10.38161830    -13.35048149
  H     15.61107060      9.16391979    -18.17994323
  O     12.11949052      7.28329539    -13.14520192
  H     16.17874493      7.08408514    -17.15159787
  H     15.00231750     10.07380298    -19.27684968
  O     18.99729103      9.89234257    -12.52606421
  H     17.42203357      7.89982157    -17.57312454
  H     12.41542743     10.04578036    -11.38375427
  O     18.36825180      7.07445764    -12.57343770
  H     19.86494366      8.72106807    -17.21125992
  H     13.87408762     10.51024285    -11.54625588
  O     15.08791312      9.97319359    -18.33276493
  H     18.70388691      9.01946585    -16.23012000
  H     14.20889593     13.88436870    -14.82530263
  O     13.26227098     10.08836342    -10.92404293
  H     15.70960324      6.02397457    -14.93228557
  H     14.89754432     12.60556252    -15.35908872
  O     14.25718276     12.93993547    -14.70526146
  H     14.68303989      5.82338904    -16.02995249
  H     13.79329004      9.37287631    -17.15740774
  O     13.29183342      9.00412338    -16.42047590
  H     18.81437907      6.78833869    -15.75735159
  H     12.80340447      9.72586183    -15.99367298
          69
 Energy    -248.49695400079651     
  O     18.77354197     10.06308746     -9.41389202
  H     18.25233585     10.68791573     -9.92873564
  H     20.67051479     10.01576048     -9.25998258
  O     17.90783807      5.68040216     -9.87830404
  H     18.92447857      9.30025461     -9.99758170
  H     17.36145872      7.93802513    -13.74920576
  O     19.19999482      3.82119702    -13.14925873
  H     17.56128290      5.20209090    -10.64235783
  H     18.84024267      7.60022374    -14.13295530
  O     20.02841702      6.30596291    -14.36305775
  H     18.68872766      5.22883383     -9.53385644
  H     21.08766272      4.55408803    -10.52579013
  O     16.76850102      4.71624555    -12.20222201
  H     19.10659437      2.99445874    -13.61732515
  H     20.68511268      4.21715775    -11.97921267
  O     21.53841740      7.20365420    -12.10919306
  H     18.31172457      4.06752091    -12.84501634
  H     12.97861432      6.97811454    -12.27589184
  O     20.63405280      7.33403382     -7.99323108
  H     19.76828000      5.42574044    -14.06805420
  H     12.35767930      6.38860387    -13.56652153
  O     13.88418560      6.15669656     -8.84670175
  H     20.68070336      6.61191447    -13.71865248
  H     16.15750288      9.82062875    -11.06224059
  O     19.03667033      7.91281096    -11.10832117
  H     16.57228410      5.58353186    -12.58350023
  H     15.96251512      8.58770998    -10.12076090
  O     18.24799101      8.78235693     -7.09137408
  H     15.92981741      4.41408042    -11.82308918
  H     15.77938160      7.83239589    -12.33032731
  O     17.22294790     11.36289187    -11.33122486
  H     21.69508796      6.27935905    -11.87019739
  H     14.91599324      6.91491172    -13.23025741
  O     21.56298716      9.64717194     -9.29138494
  H     20.71453352      7.45322968    -11.66361736
  H     21.94363085      8.91875876    -12.22485889
  O     18.25764058      8.29426331    -13.78777062
  H     21.09371714      8.05676321     -8.44385991
  H     22.76730690     10.16715127    -12.60708855
  O     21.41058243      4.54839428    -11.43564469
  H     19.86392747      7.72901965     -7.57165797
  H     16.85528906      7.90964356     -7.97315023
  O     13.12961342      6.35369997    -13.00859445
  H     14.71946201      6.62473303     -8.68156560
  H     16.85055360      6.77926480     -9.03176411
  O     15.65966940      9.00398062    -10.93845145
  H     13.54085824      5.90063567     -7.99411508
  H     13.82964755      8.52398725    -10.89340200
  O     15.82138127      7.20597329    -13.06841765
  H     18.64359883      7.11899954    -10.72536962
  H     13.15073099      7.39485153    -10.10464797
  O     21.97103608      9.88925179    -12.16061019
  H     18.69196993      8.03447590    -12.00318963
  H     20.19164011     10.52540603    -12.68034959
  O     16.29767896      7.46350259     -8.62099507
  H     18.42909461      9.33671942     -7.87231719
  H     18.95344510      9.93928134    -13.40020644
  O     13.02070195      7.99623483    -10.84927468
  H     18.32186036      9.34944003     -6.32798965
  H     20.57622959      4.20959847     -8.10885962
  O     19.28829536     10.72821273    -12.94823446
  H     16.89965203     12.23610692    -11.53440267
  H     20.50277078      5.70088111     -8.51794979
  O     20.31730248      4.79141709     -8.81827119
  H     17.96286896     11.18819889    -11.94236059
  H     14.12648941      4.92212173    -10.33457154
  O     14.25084707      4.44194077    -11.16197254
  H     21.83973072      9.76023757    -10.20759184
  H     13.78144976      4.95683356    -11.83100284
          69
 Energy    -248.49689383204574     
  O     -2.53893630      4.65778734      3.50642928
  H     -2.86096033      5.48874335      3.84397474
  H      1.47467872      0.69960522      2.73994116
  O     -3.24268937      1.97065319      3.66465826
  H     -1.66143828      4.50821271      3.90796275
  H     -3.73793413     -0.80157130     -0.83005822
  O     -0.99060859     -1.80206074      4.20637307
  H     -3.11269198      2.92701079      3.70490523
  H     -2.28799799     -1.06612365     -1.27255323
  O     -0.81963574     -2.03369310     -0.51030389
  H     -2.54244941      1.62744359      3.08426983
  H      0.08182189     -3.27588525      3.62596028
  O     -0.00907868      1.79797677     -2.00228597
  H     -1.49217468     -1.85437730      3.37864575
  H      1.56960275     -3.44132652      3.25928960
  O     -4.75705212      1.51307010      1.30076536
  H     -1.49061539     -1.21264985      4.78375314
  H      0.55393467     -5.21289997      0.27959912
  O     -2.37765463      1.97858159     -0.39942380
  H     -0.10842883     -1.37668093     -0.53474894
  H      0.53460927     -4.17222102      1.42387660
  O      1.25168494     -0.17779525     -0.51529240
  H     -0.40456307     -2.88166460     -0.30666661
  H      2.07597873     -3.08824673      0.33293197
  O     -1.42873555      0.91585228      1.93721351
  H     -0.24195724      1.94427836     -2.91693101
  H      2.34490111     -1.60389753      0.01963130
  O     -4.84171272     -1.14856923      0.74854579
  H     -0.81740085      1.96147861     -1.49725362
  H     -2.78847067      0.84590037      4.99111212
  O     -2.30058172     -1.71266473      1.78900751
  H     -4.12065799      1.86806773      0.67039404
  H     -2.98635074      0.19858119      6.37993443
  O      1.31633136      1.13193902      1.88982838
  H     -4.39714824      1.70264709      2.17738972
  H     -0.69632575      1.17419825      5.74404551
  O     -3.04287041     -0.48002293     -1.41673090
  H     -2.66551550      1.19097189     -0.88826855
  H      0.74149724      0.96759236      5.24389658
  O      0.69739370     -3.83808828      3.13994610
  H     -1.99783070      1.64352640      0.42962192
  H      3.08036122     -2.32861217      2.17012919
  O      0.55169055     -4.27592312      0.45556045
  H      1.34378471      0.27868615      0.33458121
  H      4.06227753     -2.65921819      3.31960940
  O      2.71750676     -2.37886286      0.46061188
  H      0.92916077      0.48466511     -1.14055360
  H      0.62156091     -0.90099756      4.16537726
  O     -2.39645021      0.22816865      5.63045547
  H     -0.46591330      0.97361866      1.95892275
  H      2.14352412     -1.04796506      3.91319269
  O      0.14828512      1.62407673      5.63003199
  H     -1.68483605     -0.01467210      1.89185235
  H      0.02854874      3.26806475      4.91054502
  O      3.16852355     -2.38124913      3.13887697
  H     -4.90899962     -0.20293559      0.97057884
  H      0.50253314      4.07895342      3.67710843
  O      1.45935287     -0.41519160      4.16558226
  H     -5.72939177     -1.49578108      0.74460418
  H     -1.83749898      4.44345313      1.72332970
  O     -0.08891594      4.10546997      4.43754692
  H     -3.22227299     -1.61780692      1.51798468
  H     -1.75949452      3.66607061      0.38325040
  O     -1.28840196      4.29268040      0.94302608
  H     -1.78509733     -1.89714983      0.99009387
  H      0.37122779      4.06353928      1.49403122
  O      1.24052537      3.91458181      1.90711827
  H      1.41439877      2.08841415      1.98030821
  H      1.84510723      4.53202480      1.50366159
          69
 Energy    -248.49687351508913     
  O     -5.80339334      0.46521930      0.44954926
  H     -5.79491753      0.73808027      1.37533112
  H     -1.96886073      1.09453525      3.43036909
  O     -5.63552609     -0.39886060     -4.16734808
  H     -5.54622150      1.24500606     -0.06367145
  H     -0.20740743      3.78247787      2.29507356
  O     -5.33326072      1.31922182      3.10522597
  H     -6.31973144     -0.41043095     -4.83092875
  H     -0.27522995      4.88233885      3.38183023
  O      0.35356287     -0.15744285      1.81187600
  H     -6.06191814     -0.61433827     -3.31813744
  H     -1.39580996      5.11280627      1.05715637
  O     -1.56173284     -0.78992845     -0.13633427
  H     -5.86048065      1.77560108      3.75641487
  H     -0.99277581      4.73180788     -0.37662963
  O     -3.58666093     -2.29455083     -3.50384616
  H     -4.51192639      1.82917819      3.00453675
  H     -3.88399814      2.32860322     -0.54635323
  O     -4.01614677     -1.69343277      0.70830548
  H      1.07529203     -0.67001070      2.16619480
  H     -4.67808827      3.56350677     -1.01813329
  O     -1.62226835     -0.34402397     -2.84781636
  H     -0.29899021     -0.04985334      2.52941197
  H      0.20302029      2.45358001     -1.79578273
  O     -3.73944652      1.46608704     -3.27977293
  H     -2.34646782     -1.19764515      0.25769991
  H     -0.92173923      3.48305222     -2.03930304
  O      0.70020686      2.65919121      1.30803160
  H     -0.86657255     -0.71141700      0.52904801
  H     -4.35190413     -3.05102072     -2.12863613
  O      0.78764410      1.02459246     -2.67058034
  H     -4.25230222     -1.70948201     -3.88683370
  H     -4.98609839     -4.30333897     -1.47521871
  O     -1.57005031      0.23916955      3.62824181
  H     -2.80545517     -1.74542811     -3.36051844
  H     -2.72155519      2.31072111      1.76310901
  O     -0.80089079      4.41769768      2.73645868
  H     -4.61294963     -0.94118095      0.58647593
  H     -2.30128892      3.29789343      2.86584275
  O     -1.60488841      5.27814895      0.13031934
  H     -4.28892975     -2.37045683      0.07615127
  H     -4.51190732     -0.43431075      3.48649153
  O     -4.73442026      2.60502685     -0.92784715
  H     -1.59001632     -0.56451657     -1.90360751
  H     -3.95706307     -1.54508159      2.58473710
  O     -0.29235646      3.16886950     -1.36938698
  H     -2.31594161      0.31956668     -2.97246564
  H     -2.10434878      0.90886562      0.01082732
  O     -4.86374625     -3.36495181     -1.36148316
  H     -4.39283778      0.89635644     -3.70414385
  H     -1.64187979      2.33444903     -0.38891980
  O     -2.91086935      2.57496361      2.67663134
  H     -4.16937210      1.83380364     -2.49489761
  H     -3.16108669      5.34692198     -0.69360352
  O     -3.93130144     -1.20451845      3.48909927
  H      0.55406809      2.82440893      0.36959511
  H     -4.30195952      6.17780548     -1.32433931
  O     -2.33281768      1.84503702      0.07380320
  H      0.63400656      1.70424826      1.43225895
  H     -6.50440300     -0.57875361     -0.96605255
  O     -3.96131038      5.29080214     -1.24575657
  H     -0.00608392      0.49133486     -2.83664113
  H     -6.17228320     -1.96253204     -1.56322607
  O     -6.62864376     -1.13200011     -1.74768468
  H      1.41692956      0.77992997     -3.34420128
  H     -2.89574681      4.43066876     -2.64603391
  O     -2.26064423      3.87646687     -3.11480854
  H     -2.31153075     -0.38089742      3.68069907
  H     -2.73687698      3.07243485     -3.36168134
          69
 Ord_Energy   -248.496841    
 O   -2.43830919       5.63722229       5.01107073    
 H   -2.69483185       6.08214140       5.81439829    
 H   -3.19182873       5.70588541       4.39689255    
 O   -1.43145263      0.824525952       1.42967999    
 H  -0.992946029      -1.25867901E-02   1.64353180    
 H  -0.915895462       1.51927531       1.85665452    
 O   -4.34871531       5.69710398       3.08030891    
 H   -4.40274906       4.76407385       2.83058214    
 H   -3.96284389       6.14724779       2.31832242    
 O   -2.50973272       4.02331448      0.167213723    
 H   -2.92585754       3.64193034      0.950950563    
 H   -2.80790377       3.49387741     -0.587536097    
 O   0.288433015       2.47836852       2.95711589    
 H   0.664018989       3.32641196       2.69144368    
 H   0.915328979       1.79161656       2.68375444    
 O   -2.71090198      -1.53064632      -1.38285768    
 H   -2.03870869     -0.844465196      -1.50488019    
 H   -3.54154110      -1.05990613      -1.25293767    
 O    1.62622356       1.56373262     -0.871554792    
 H    1.17312789       2.40318203     -0.667753696    
 H    2.35373926       1.77841353      -1.44916320    
 O   -4.04116344      0.221152648       1.94887674    
 H   -4.01842594     -0.731614411       2.12967777    
 H   -3.12575841      0.483379662       1.74984396    
 O   -4.93511772      0.169678509     -0.697614014    
 H   -4.71350527      0.201042116      0.246027231    
 H   -5.87786388       3.08232792E-02 -0.751975834    
 O  -0.982595384      0.631043613      -1.30456901    
 H   -4.55157384E-02  0.845009446      -1.36634099    
 H   -1.20522797      0.750044942     -0.368128479    
 O    1.81905651      0.502425969       1.81409883    
 H    1.31332159     -0.318351775       1.86927569    
 H    1.81136012      0.769393384      0.885845482    
 O   -2.79237914       6.64269686      0.872308552    
 H   -2.94093156       7.21394348      0.123515077    
 H   -2.68202686       5.74205923      0.520648241    
 O   -1.75409925      -3.24808049      0.451489955    
 H   -1.60830617      -4.10399628       5.81627116E-02
 H   -2.10324216      -2.67145133     -0.252224654    
 O   -3.23628497       2.24674892      -1.76950109    
 H   -3.91378570       1.61268008      -1.50773299    
 H   -2.41304898       1.74011457      -1.80868185    
 O   -1.96876228       2.90442991       4.45868444    
 H   -1.11143148       2.77849865       4.02449131    
 H   -2.02516222       3.81681800       4.76556873    
 O   -3.55992317      -2.41266418       2.49090528    
 H   -3.04147005      -2.79783893       1.77271211    
 H   -2.96674418      -2.40239954       3.25212049    
 O  -0.158065706      -1.56055582       2.06418753    
 H  -0.515647590      -1.72341275       2.94806218    
 H  -0.586600244      -2.19246006       1.47231674    
 O   -2.97765708      0.327444106       4.74087191    
 H   -3.52955508      0.323979676       3.95273209    
 H   -2.60710478       1.21918344       4.79711628    
 O  -0.777024329       6.54252481       2.87615514    
 H   -1.26773429       6.29569483       3.66916108    
 H   -1.43409455       6.67725229       2.18140745    
 O   -1.53240144      -1.94675803       4.49073219    
 H   -1.99603462      -1.10973990       4.67299604    
 H   -1.35070539      -2.34961414       5.33535719    
 O   -3.87040782       3.00833726       2.41988564    
 H   -4.17727184       2.11017799       2.25768113    
 H   -3.21314073       2.95301056       3.13013816    
 O    1.28780079       4.98503017       2.14858890    
 H   0.577628076       5.59219790       2.42374253    
 H    2.11392951       5.40271664       2.37505841    
 O   0.306796998       3.83896208     -0.232201919    
 H  -0.650119245       3.89423466     -0.118415341    
 H   0.694329143       4.31489754      0.512765706    
          69
 Energy    -248.49652511109713     
  O     11.92042546     10.77483872    -13.32153930
  H     12.15030645     10.28196584    -14.12667004
  H     14.45091481      5.81355543    -13.87598302
  O     15.40984680      6.92863786    -12.73542851
  H     11.30626210     11.45557311    -13.58642690
  H     18.64838198      6.50518249    -15.44351136
  O     18.43570922     10.16923818    -12.73802178
  H     15.39092709      7.62491839    -13.41215462
  H     20.03437095      5.99605468    -14.98407767
  O     16.83818750      9.38559137    -16.67895145
  H     14.93064178      7.29138122    -11.97864895
  H     15.45104623      9.86982457    -14.08755369
  O     11.41568517      6.80559252    -14.27808101
  H     18.61207228     10.53366651    -11.86155888
  H     14.30524459      9.05044333    -14.77319422
  O     15.97040608     11.12856461     -9.40547083
  H     18.28261430      9.22060992    -12.61618024
  H     18.22897166      7.80195165    -10.55460177
  O     14.06769078      8.34853497    -10.75049689
  H     16.26975358      9.16152438    -15.92368343
  H     18.47376039      9.09479265     -9.74808522
  O     16.12717164     11.45620565    -13.51296037
  H     17.73699541      9.47474694    -16.32044547
  H     12.36345542      8.16611636    -11.46019656
  O     14.76850418      5.70365284    -17.10836851
  H     10.55190208      6.41322977    -14.37286918
  H     11.54746550      9.15118394    -12.32029399
  O     15.73056195      8.41172629     -8.50582095
  H     11.43317865      7.24088723    -13.40647158
  H     19.44195209      8.52022456    -15.18671229
  O     17.42155792      6.57610940    -16.68243819
  H     15.80102754     10.27920778     -8.97869803
  H     19.08178838      9.84200533    -14.48901240
  O     13.89050997      5.45302983    -14.57585372
  H     15.29317894     11.22614366    -10.08664445
  H     17.18099879      7.14089118    -12.47028278
  O     19.34459185      6.61924088    -14.77190858
  H     14.55053377      8.28373617     -9.91747309
  H     18.58409288      7.05605928    -13.13257390
  O     15.22303270      9.01412513    -14.47477532
  H     14.16917208      9.26018130    -11.06082693
  H     19.10475657     11.64131197     -9.57793739
  O     18.16802786      8.18302781     -9.66829306
  H     16.98089643     11.07873648    -13.25432082
  H     17.66747021     11.13093913     -9.83921312
  O     11.56446436      8.24137123    -11.99971380
  H     16.22444386     11.84548898    -14.39264835
  H     15.04517303      8.86782298    -17.57227609
  O     19.22936652      9.44592117    -15.35810646
  H     14.45787194      5.57273163    -16.19425726
  H     14.34383590      7.50179113    -17.49896495
  O     18.10505109      7.41339674    -12.37479691
  H     14.49928430      4.93505523    -17.60409498
  H     13.37743181     11.04432292    -12.12882500
  O     18.60370170     11.00013020    -10.07434592
  H     15.73142005      8.01690995     -7.63838862
  H     14.89803364     11.27667477    -12.25089949
  O     14.17755265      8.45118008    -17.58158450
  H     16.61009705      8.24794768     -8.89195621
  H     16.55226253     11.24213595    -16.50958887
  O     14.20112491     11.01800611    -11.62831696
  H     16.56563506      6.15559123    -16.82660119
  H     16.92303506     12.71237520    -16.74737978
  O     16.41220592     12.14118539    -16.17812701
  H     17.27657928      7.51362521    -16.85711294
  H     13.02500844      8.93864488    -16.27834753
  O     12.59311014      9.10217933    -15.42609504
  H     13.01326013      5.83158772    -14.44045333
  H     12.16231672      8.28139708    -15.15197057
          69
 Energy    -248.49646579399950     
  O      9.72788613     12.18535604    -11.44124893
  H      9.96981202     12.09986912    -12.37171795
  H      7.96544165      9.81027420    -10.33420495
  O     14.59134732      8.78185157    -16.64872930
  H     10.28844618     12.86726581    -11.05481359
  H     12.86654785     11.80022686    -11.97237391
  O     11.22020264      8.65761634    -11.20792040
  H     13.62068904      8.80614433    -16.73253745
  H     12.17362594     12.19512317    -13.30492707
  O     14.71032033      9.06053684    -13.85863135
  H     14.91608064      8.22454210    -17.35026418
  H     15.67146935      9.57381249    -10.42102112
  O     11.99368588     12.11435740     -8.15273596
  H     10.33645125      8.90229489    -10.90901181
  H     15.89664464     11.12623373    -10.33195455
  O     14.45571927     11.64472986    -16.32965667
  H     11.79595474      9.40061713    -10.96202763
  H     16.21289011      7.36053906    -11.61547725
  O     11.84758070      9.04371243    -13.84477098
  H     15.02108792      9.97408772    -13.77130550
  H     15.23430518      8.31228327    -12.33881907
  O     12.55818716      8.28121911     -7.46784718
  H     14.76330043      8.83818298    -14.79690310
  H     13.24240511     14.32241189    -10.47507100
  O     12.82025960     10.78053866    -10.50389851
  H     12.81805960     11.77302333     -7.77707952
  H     13.65695249     13.69792199    -11.78771132
  O     10.29024296     10.03688862     -7.73225857
  H     11.29626361     11.48331514     -7.91735121
  H     14.00683549      7.43413750    -10.40738589
  O     16.35027314     12.75302402    -11.14124256
  H     14.91890445     11.81416318    -15.50008368
  H     12.46703013      7.55704458    -10.40955402
  O      8.91147842      9.88518804    -10.24355216
  H     14.62832988     10.71873497    -16.54008779
  H     10.89058007     11.82179081    -15.01222106
  O     12.96757057     12.33166812    -12.77740303
  H     12.81135576      9.08162264    -13.79731464
  H     10.99495168     10.67361721    -13.98684478
  O     15.50131841     10.36261862     -9.89151262
  H     11.54041744      8.77119005    -12.96930559
  H     14.51988650     11.95907935    -13.42607771
  O     15.53355539      8.01363953    -11.46406687
  H     12.82606353      7.87211144     -8.30825440
  H     15.97050843     12.06270779    -12.93523226
  O     14.01768918     14.17744617    -11.02707783
  H     12.57810944      7.58953517     -6.81084497
  H     11.59765904     12.56430492    -17.40018332
  O     13.21812612      7.22871693     -9.89451037
  H     13.74057628     10.57964406    -10.28903864
  H     12.72287847     11.93076904    -16.55135925
  O     10.67861091     11.58279993    -14.10087112
  H     12.45412083     11.23056687     -9.73229044
  H     14.78518989     10.54369170     -8.13166191
  O     15.43466866     11.72279238    -13.65860343
  H     10.96777411      9.35037595     -7.67769858
  H     13.68891998      9.82543410     -7.32329917
  O     11.75849947     11.95791706    -16.68192471
  H      9.78414122      9.88136556     -8.53864955
  H     10.86463962     14.79303873     -9.46111829
  O     14.18931136     10.65036553     -7.37941706
  H     17.09693796     13.29113629    -10.89082929
  H     11.56337219     13.44521736     -9.18113705
  O     11.35401184     14.08946959     -9.88091288
  H     15.55802156     13.30709925    -11.02118550
  H     11.71214636     10.01173523    -16.78909418
  O     11.89671917      9.07606087    -16.64198891
  H      9.16533478     10.73397665    -10.64940278
  H     11.72189257      8.92291589    -15.70217089
          69
 Ord_Energy   -248.496353    
 O   -6.54007149       6.27743101       3.53544569    
 H   -5.82246351       6.82922268       3.90175176    
 H   -7.34987974       6.76526928       3.65295267    
 O   -2.77827024       4.86059189       3.36257887    
 H   -1.88544130       5.20558262       3.49005556    
 H   -3.17677379       4.75956011       4.23668051    
 O   -3.88396597       7.63987637     -0.136541680    
 H   -4.64426899       8.11394882     -0.465241879    
 H   -4.22254229       6.92081070      0.425134510    
 O   -5.33680630       1.69003284       2.41716504    
 H   -5.88596392      0.926807165       2.57364368    
 H   -5.59162712       2.35685349       3.08053684    
 O   -3.14811802       6.91002893       6.81243229    
 H   -2.22981286       6.59963894       6.71475172    
 H   -3.18692327       7.39826155       7.63033581    
 O   -5.93477249       3.57956600       4.27297163    
 H   -5.26337194       3.72901988       4.95250082    
 H   -6.25366926       4.45733595       4.03176546    
 O    2.59038329       5.06972694      0.705031872    
 H    1.74593318       5.37651682      0.338927001    
 H    3.15338492       4.89677477      -4.62392010E-02
 O   -2.78806496       3.44755888      -1.59439194    
 H   -2.93506742       2.89852786      -2.36002207    
 H   -3.57627249       3.35738301      -1.02867043    
 O   -4.47489643       7.73897982       4.42153215    
 H   -3.82875991       8.00552177       3.75106788    
 H   -3.98527002       7.54883051       5.22886038    
 O   -4.70494843       5.65920305       1.54004562    
 H   -5.45242071       5.87437820       2.11187339    
 H   -3.96919990       5.43730068       2.13072181    
 O   -3.66285183E-02   5.77985287       4.30610292E-02
 H  -0.362983257       4.92236996      0.347166985    
 H  -0.629363775       6.04428339     -0.675631762    
 O    1.07310152       3.50908279       2.45148158    
 H    1.77842069       3.96057892       1.96864116    
 H   0.422225386       3.25592709       1.78131819    
 O   -1.00262702       3.18529892      0.578024983    
 H   -1.51272595       3.20820498     -0.241154239    
 H   -1.58140910       2.77484059       1.23636603    
 O   -2.02390814       6.21879816      -1.75246775    
 H   -2.36439061       5.31563234      -1.78650784    
 H   -2.67670894       6.74211788      -1.26922083    
 O  -0.145194456       5.68135643       3.76393676    
 H    3.56055005E-03   6.46095419       3.21472526    
 H   0.335783869       4.94459820       3.36456490    
 O   -2.69509983       8.42773342       2.38241363    
 H   -1.74578369       8.28745556       2.29248810    
 H   -3.05746198       8.28764629       1.49996901    
 O    5.62846810E-02   7.76738214       1.92613113    
 H   0.810976028       8.32086658       1.74091506    
 H    1.13422200E-02   7.10543108       1.21516180    
 O  -0.712729633       5.78339672       6.48489761    
 H  -0.412300348       5.81919193       5.56585073    
 H  -0.837725282       4.84592247       6.67757463    
 O   -3.80641031       4.31204844       5.93610334    
 H   -3.72511864       5.18981981       6.33149529    
 H   -3.05164695       3.79406548       6.24637938    
 O   -1.41792250       3.02403069       6.71762037    
 H   -1.02231669       2.65926147       5.90578890    
 H   -1.23018551       2.40147066       7.41480160    
 O   -2.58172441       2.22180653       2.63680863    
 H   -2.66959906       3.15358281       2.89514112    
 H   -3.47893238       1.88235414       2.54822206    
 O  -0.421546698       2.04851365       4.40222502    
 H   -1.18177235       1.93025219       3.81529379    
 H   0.264138550       2.45439672       3.85905814    
 O   -4.89442492       3.29311466       8.86366218E-02
 H   -4.89373827       4.14917850      0.539916754    
 H   -5.10157633       2.64836049      0.774257660    
          69
 Energy    -248.49624935372316     
  O     11.35216187     10.18845010    -13.34093429
  H     11.88704802     10.98823189    -13.28863657
  H     19.17715032      8.96785510    -13.69826056
  O     15.82060734      6.13945734    -13.48424951
  H     11.71509381      9.67868405    -14.07998350
  H     14.13219743     11.30280583    -16.39140931
  O     17.24478445     10.10665362    -10.77028941
  H     15.23773893      5.99170517    -12.72714424
  H     15.36485919     11.56418091    -15.51821833
  O     16.82906592     10.50477414    -15.08033321
  H     16.72647619      6.08518640    -13.15553724
  H     15.35819425      7.87115858    -13.79157632
  O     11.95511955      5.99339313    -15.41333343
  H     16.34755804     10.33981422    -11.04227026
  H     14.19995819      8.72038987    -14.40537839
  O     15.01476933      6.91499826     -8.66566377
  H     17.81554201     10.36140248    -11.50502016
  H      9.95314175      8.57925206    -11.04371115
  O     14.10841098      5.99696384    -11.28481756
  H     17.31402969     10.00465930    -15.74883154
  H     10.97756939      9.09150942    -12.08584359
  O     14.64404806     10.46529286    -11.79118096
  H     16.20265042      9.88067260    -14.67974307
  H     17.38149325      8.38733917    -10.31632874
  O     15.60548843      8.02686138    -17.49109109
  H     11.83030095      5.95218156    -14.44823043
  H     16.65992343      7.22637531     -9.58794748
  O     18.26339625      8.66649642    -16.65014352
  H     11.26840188      5.45843380    -15.80191802
  H     12.47492273      5.81211147    -12.22338594
  O     14.75225448      5.82322200    -16.06276867
  H     14.86182298      7.00014216     -7.72799921
  H     11.29592321      6.80134419    -12.28734516
  O     19.22195804      8.12866422    -14.17252322
  H     14.42673367      7.55704539     -9.09718888
  H     19.26768392     11.53575786    -13.23086921
  O     14.46655346     11.87650657    -15.69184152
  H     13.86301008      6.92589347    -11.15231267
  H     18.04181470     10.78073111    -13.79391721
  O     15.02716293      8.77044366    -13.90854265
  H     14.48810448      5.74645392    -10.43878949
  H     18.92689825      5.45493603    -12.03435802
  O     10.82642179      8.42270977    -11.39210922
  H     14.80416649      9.83706773    -12.51362160
  H     18.04409807      6.61666529    -11.51313466
  O     17.40202406      7.42952987    -10.16599725
  H     14.17603129     11.20913382    -12.18636130
  H     14.41118427      9.23482303    -17.60198390
  O     11.67596396      6.02732081    -12.72061934
  H     15.32103649      7.21567687    -17.04329782
  H     13.40052607      9.98721905    -18.50221201
  O     18.73617404     10.75208913    -13.11413405
  H     16.52737982      8.16544409    -17.25058449
  H     13.82607601      9.25819709    -10.73944531
  O     18.36453201      6.16981736    -12.31920953
  H     18.99326336      8.66361283    -17.26366500
  H     12.47284167      8.51384681    -10.55116406
  O     13.68395696      9.88615464    -17.59815426
  H     18.62158429      8.37528707    -15.79240678
  H     13.05208049     13.29377414    -13.25495956
  O     13.40317876      8.51109189    -10.29308436
  H     13.80600577      5.77037359    -15.88715061
  H     13.63544020     12.21532316    -14.19498697
  O     13.21064520     12.35672900    -13.32991363
  H     15.18059642      5.81543568    -15.19607263
  H     12.86411847      9.08990581    -16.16748567
  O     12.59916326      8.71130011    -15.31925796
  H     18.97249060      7.44399079    -13.54030580
  H     12.34414738      7.79087863    -15.46101821
          69
 Energy    -248.49622223943538     
  O     13.29139786     11.91027226     -8.42575440
  H     13.25349852     11.70174811     -7.49609296
  H     11.70403674     13.92950762    -13.45439180
  O     11.11413721     11.09834467    -15.28053906
  H     13.58678944     11.10142836     -8.88306973
  H     13.62400916     14.70979395    -11.81536756
  O     14.07540291      9.80222767     -9.94840019
  H     11.32408265     11.23655547    -16.21220694
  H     13.49919174     13.36425903    -12.57343505
  O     18.35067303     12.33930793    -12.94448748
  H     11.11504789     11.97433566    -14.86978635
  H     12.05852362     14.14816523    -15.62668474
  O     11.46555651     12.56587101    -10.45755312
  H     14.82035538      9.98468977    -10.52869447
  H     12.43365177     13.46814932    -16.95060998
  O     11.70863555      9.92016743    -11.48006354
  H     13.30601339      9.63599778    -10.51090485
  H     15.08529041     11.76729648    -12.70663686
  O     13.07185299      9.72105101    -13.87472570
  H     18.20740706     12.18856488    -13.89657938
  H     13.90798895     11.28187158    -13.59273920
  O     15.17650009     15.48815983    -11.15918947
  H     19.29315566     12.39736646    -12.81134688
  H     16.96936080     12.63205334    -15.69592530
  O      9.50340728     10.16622911    -13.11402425
  H     11.97222341     12.41088107     -9.65107533
  H     17.44323238     11.16653296    -15.83182776
  O     15.25355376     13.49517299    -15.48925656
  H     12.00672852     13.14488819    -11.01546941
  H     12.99176776     11.47407564    -17.66381963
  O     14.62371489     11.20830956    -17.15723977
  H     11.66555821     10.81808289    -11.12571380
  H     11.89879399     11.60962191    -18.75294406
  O     11.00626563     13.65681288    -14.06809943
  H     10.88590597      9.80555802    -11.97902988
  H     16.01974223      9.54235628    -12.89671623
  O     12.98491213     14.08800670    -12.18052767
  H     12.62377864      9.68910667    -13.01705913
  H     14.80220392      9.11435241    -13.74772280
  O     12.71370190     14.15662430    -16.33509648
  H     12.42896641     10.08227494    -14.49995923
  H     17.04874504      8.70992528    -16.53312433
  O     14.40070917     12.06592980    -13.31802814
  H     15.74709333     15.25802715    -11.91529491
  H     16.37183669      9.27405781    -15.26161399
  O     17.72006662     12.04536238    -15.54162960
  H     15.39616834     16.38136982    -10.90953949
  H     16.07762228     11.69297761    -10.87093425
  O     12.07315418     11.75664930    -17.82767875
  H      9.92197533     10.35403399    -13.96472248
  H     17.09192888     11.37876512    -11.99428989
  O     15.76101472      9.00872345    -13.65415924
  H      9.21558851     11.02292792    -12.77544469
  H      9.90343210     12.74161233    -11.37191356
  O     16.66069100      9.49848891    -16.16380968
  H     14.44060355     13.89443410    -15.83289775
  H      8.44604593     13.21652715    -11.56090806
  O     16.29573463     11.04217267    -11.56014750
  H     14.98726211     12.96062930    -14.72306068
  H     17.29597009     13.95658967    -13.09579986
  O      9.18478393     12.82481740    -12.02053372
  H     14.87715472     12.00093918    -16.66992646
  H     16.23647452     14.47484713    -14.09176429
  O     16.67477288     14.67696052    -13.25698908
  H     15.25664422     10.52804461    -16.90095696
  H     14.79228361     12.78162733     -9.26581744
  O     15.55987309     12.98958168     -9.81121011
  H     10.23808636     13.47884970    -13.51267469
  H     15.42430559     13.87696210    -10.16371651
          69
 Energy    -248.49619766993141     
  O     14.45768811     10.05904416     -9.37101859
  H     15.23518617      9.79040381     -9.88257265
  H     11.48590593      4.88172586    -15.45218745
  O     16.72804786     13.23409994    -12.92989432
  H     14.60024862     10.98028644     -9.12295986
  H     15.50141511      5.72297381    -10.88237386
  O     10.75056806     11.36495249    -14.65915833
  H     17.44267689     13.80598129    -13.19656328
  H     13.98240872      5.39695087    -10.92637234
  O     10.48334649      8.99265076    -13.07855958
  H     17.02629650     12.76902276    -12.12750081
  H     11.82220539      5.99072906    -10.78051333
  O     12.72956714     11.92256242    -12.71525012
  H     11.50264029     11.08984589    -15.21471647
  H     11.89593196      5.14679400     -9.49305372
  O     15.04874060     11.38414157    -14.21624958
  H     10.19129243     11.91280547    -15.20300987
  H     15.12399991     13.76597516    -11.97620425
  O     15.08445036     12.77020074     -9.01076249
  H     11.06310189      9.22506587    -12.33660686
  H     13.68182995     13.23884361    -11.85020333
  O     16.78237382      9.23044676    -10.73870250
  H     10.36070214      9.80572126    -13.58393924
  H     12.89955419      9.53697973    -15.73708757
  O     14.80162438      4.94687140    -14.23259286
  H     12.64911080     11.13800367    -12.15429397
  H     13.78654882     10.79154621    -15.56039949
  O     17.35417574     11.97786322    -10.59983132
  H     11.99411014     11.89317237    -13.33778221
  H     17.17814641      6.21672408     -8.99542851
  O     14.10196907      7.86185274    -12.65225883
  H     15.68218862     12.05099219    -13.92054726
  H     15.77697389      6.86641539     -9.13198466
  O     11.96908656      5.25183671    -14.71722479
  H     14.24995186     11.53372715    -13.69027782
  H     10.56306602      7.12627842    -12.50259878
  O     14.78974650      5.41534384    -11.45809011
  H     14.76137496     13.18674128     -9.83023745
  H     11.18629140      5.81477836    -13.02917129
  O     12.38980329      5.76873801    -10.02237791
  H     14.99977303     13.42019348     -8.31881859
  H     15.82073193      6.26005040    -14.91145346
  O     14.34334325     13.79045209    -11.40981240
  H     16.75658630      9.16791996    -11.70532029
  H     16.75320630      6.70539154    -16.04849959
  O     12.96801612     10.47490690    -15.96216495
  H     16.85886346      8.33287707    -10.39565520
  H     13.12589819      7.85914994    -14.16031000
  O     16.58148704      6.61562528     -9.62328743
  H     13.85726739      4.91791607    -14.42358320
  H     11.66706964      8.29786882    -14.34518272
  O     10.87267015      6.25462180    -12.22969015
  H     14.87306146      4.93818922    -13.26849637
  H     13.50796506      6.97561330     -8.99061596
  O     16.35432385      7.00418511    -15.23556104
  H     17.30818190     11.01241699    -10.60184698
  H     14.18768792      8.33902924     -8.67514811
  O     12.42710907      7.94372424    -14.82759293
  H     16.70764403     12.27150147     -9.94658854
  H     16.49725080      8.40983389    -14.15279375
  O     14.24004964      7.38700968     -8.51548460
  H     14.92856011      8.29492707    -12.90287922
  H     15.99862126      9.87302182    -13.83334955
  O     16.42295626      9.08669874    -13.46267124
  H     14.32669741      7.00053022    -12.28253290
  H     13.03508431      8.93339008    -11.75439559
  O     12.50728764      9.58106721    -11.26057417
  H     12.11685671      6.19085479    -14.92400035
  H     13.04317886      9.80870190    -10.49014166
          69
 Energy    -248.49606239203450     
  O     16.30876148      3.04318290    -14.22891951
  H     15.65699512      2.74113929    -13.58475957
  H     18.87412791      5.15229290    -12.52713517
  O     18.93357826      8.38629821    -10.60952668
  H     15.92837231      3.84475496    -14.61304580
  H     16.81930128      8.25165291    -15.96207499
  O     13.93599276     11.64744977    -12.26378062
  H     19.03874406      7.62544624    -11.19376680
  H     16.06655748      9.59184238    -16.08052407
  O     17.31608819      7.14124846    -14.48864639
  H     18.43185320      8.07416122     -9.84591408
  H     14.78965969      7.83302279    -16.71893107
  O     18.68143864      3.31050274    -12.91523867
  H     13.17871519     11.05181080    -12.31280653
  H     13.69897320      7.11575745    -17.55021919
  O     11.90753920      9.64628212    -12.67371932
  H     14.38441401     11.57055368    -13.11316378
  H     15.24203361      8.58232882    -12.27456683
  O     17.15766700      7.48229790     -8.55980043
  H     16.87798488      7.76551273    -13.88740720
  H     16.57666549      9.40762288    -12.32885797
  O     13.75314644      8.01873060    -11.35076920
  H     16.65194496      6.46400401    -14.67936421
  H     15.31733754      2.61666826    -11.48664235
  O     17.67774856     12.07472095    -13.95957145
  H     19.33456585      2.73125752    -13.29902933
  H     14.02129533      1.80734332    -11.72890098
  O     15.06656458      9.06655428     -9.12003895
  H     17.87438430      3.21507982    -13.45252956
  H     15.51005809     12.51447672     -9.65304469
  O     15.10485440      5.48571839    -14.83767452
  H     12.18361390      9.56658814    -13.60513320
  H     14.97488437     11.70684846    -10.85819992
  O     18.74139140      6.09337091    -12.35629634
  H     10.96317925      9.77554415    -12.67369166
  H     17.31455457      5.89503541    -11.25095203
  O     16.26126096      8.77497899    -16.55363915
  H     16.39918584      8.07927248     -8.69657107
  H     16.72070511      6.27208741     -9.86656303
  O     13.95896035      7.32728312    -16.65699784
  H     17.25391411      7.36399958     -7.61922655
  H     16.14105355     11.37926151    -14.57208836
  O     15.97120633      8.85682241    -12.84303053
  H     13.73149797      7.09344531    -11.62890094
  H     15.49851549     10.06509069    -14.06745733
  O     14.50807330      2.57050767    -12.02750497
  H     13.02546676      8.48858168    -11.77793906
  H     17.12777231     10.99720495    -10.94629619
  O     15.58454237     11.67508744    -10.09941914
  H     18.54734082     12.33617942    -14.25122406
  H     18.24712455      9.90847244    -11.19055843
  O     16.57567880      5.72706059    -10.64873610
  H     17.80590386     11.60180783    -13.12090521
  H     15.08902659      5.56533649    -11.62081140
  O     15.36435328     10.80993102    -14.67751944
  H     15.20637635      9.98872123     -9.36558361
  H     14.14554353      4.45039771    -12.11093982
  O     17.73507392     10.62462719    -11.59756355
  H     14.52489917      8.67626907     -9.81995385
  H     17.58562206      2.91328473    -11.34963471
  O     14.28802512      5.40383729    -12.14606203
  H     14.72973759      5.55326522    -13.94803577
  H     16.76071612      3.88589675    -10.50400737
  O     16.86256527      2.94602492    -10.71151596
  H     14.58615022      6.04296040    -15.42939479
  H     13.68325078     10.07909801    -15.16135222
  O     12.89703946      9.51739861    -15.17324528
  H     18.37121295      6.46914944    -13.16853738
  H     13.13914537      8.72931199    -15.67361419
          69
 Energy    -248.49605982066959     
  O     14.42814107      8.79417129    -10.49263505
  H     14.00449540      9.61260063    -10.77293539
  H     14.35637983      6.72661106    -17.19193520
  O     16.45657946      5.23462666    -12.94938772
  H     15.23636236      9.03385133    -10.00977332
  H     18.03826022      7.73110589    -15.34984753
  O     13.41870023     11.07964765    -11.70030600
  H     15.55079518      4.96591471    -12.75068444
  H     18.36535163      6.24113193    -15.37263840
  O     15.99995202     11.68787961    -12.95713456
  H     16.63694049      5.01454694    -13.87192944
  H     15.36170354     11.29853290    -14.60999274
  O     11.22228171      7.21946397    -16.41276356
  H     12.76276535     11.75949501    -11.56958855
  H     15.55338663     10.07646682    -15.53349315
  O     17.22518163      6.40159343     -8.99142266
  H     13.14754862     10.56976582    -12.48247926
  H     15.29377685      8.19072350    -12.01214691
  O     13.06478001      6.76045294    -14.31934673
  H     15.24887585     11.56183390    -12.36667502
  H     16.08466084      7.04443486    -12.73155575
  O     12.91162486      9.59797478    -13.96346154
  H     16.72403822     11.15906340    -12.59923285
  H     14.33320754      7.04557924    -10.05314172
  O     13.15398800     10.21993826    -17.41080643
  H     11.74626532      6.91960775    -15.65690960
  H     15.43046840      6.08163380     -9.57756641
  O     16.97647204      4.83021993    -15.68185600
  H     11.83219238      7.24980812    -17.16021298
  H     19.08893851      6.59472721    -11.76346277
  O     16.34036833      8.47797108    -15.42805146
  H     17.76685694      6.21756916     -9.77973296
  H     17.91580422      5.58969917    -11.87536456
  O     14.81329980      6.34637452    -16.43082374
  H     17.66437087      5.98641884     -8.25393970
  H     13.20666146      4.18434141    -12.05093818
  O     18.75327220      7.10096903    -15.18191549
  H     13.24419530      6.19865084    -13.55633648
  H     13.99293665      5.33517639    -11.37816713
  O     14.98071478     10.84150708    -15.37388942
  H     13.11060373      7.68368094    -14.03690379
  H     17.18023496      9.10398598    -12.26180202
  O     15.85769299      7.98232042    -12.76813371
  H     12.11791543      9.72318035    -14.49956597
  H     18.70136818      9.27404228    -12.25326662
  O     14.54505748      6.10498135     -9.95955491
  H     13.64684759      9.99140970    -14.45740147
  H     19.55977766      7.61530014    -13.71556587
  O     18.58654065      5.93558851    -11.27068304
  H     13.81844703     10.58243761    -16.80888821
  H     20.86179014      8.00859858    -12.98287395
  O     13.74894638      4.94574324    -12.23881367
  H     12.31377815     10.26285953    -16.93898419
  H     17.09266008      8.30249569     -9.18048038
  O     17.88405229      9.71546825    -11.99643597
  H     17.09631274      4.05787477    -16.22862613
  H     17.37794430      9.46157274    -10.17093613
  O     19.92098706      7.91070604    -12.86115471
  H     16.21061579      5.31105012    -16.03904099
  H     13.30782707      8.61282698    -18.06494559
  O     16.87526691      9.22205990     -9.38097011
  H     15.83784851      7.79594164    -15.89027019
  H     13.26680138      7.69154694    -19.30659369
  O     13.30675756      7.68222147    -18.35416757
  H     16.14575226      8.36599991    -14.48330664
  H      9.88678875     10.10358478    -15.85659493
  O     10.79701184      9.82843413    -15.79453804
  H     14.21437215      6.42879252    -15.67320454
  H     10.82505070      8.88445617    -16.03400689
          69
 Energy    -248.49569897346538     
  O     16.79549669      9.63278134    -11.85473909
  H     16.99840471     10.54920279    -11.62618321
  H     18.23792005      3.13228169    -12.42480227
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  H     17.61359043      9.11733557    -11.79681502
  H     14.87336343      5.87552416    -10.18567642
  O     12.45440838      7.00427933     -9.34527249
  H     18.16627237     11.87025128    -10.28438642
  H     15.47281846      7.07279563     -9.38381982
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  H     17.70294620     12.97234772    -11.27077220
  H     18.74942913      7.04804083    -13.08338320
  O     18.94609357      7.95998564    -11.45480838
  H     12.28415955      7.49152691     -8.52923014
  H     18.42809488      5.56706239    -13.33752319
  O     20.78065644      8.88332723     -9.51906479
  H     13.34408883      6.65034058     -9.22690674
  H     17.07126100     11.67605118     -7.26537821
  O     17.97837181      5.72521675    -10.04385698
  H     15.04332278      7.74191896    -13.68119369
  H     17.91345542     11.95908352     -5.99775645
  O     15.87465802     12.18348442     -8.42025187
  H     15.39951537      8.72360377    -12.54769138
  H     16.92587417      6.69869017    -14.56994997
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  H     19.65635812      8.33153130    -10.91885773
  H     16.10950446      6.86218997    -15.87468482
  O     13.73738686     10.41613754     -8.76835230
  H     18.58210157      7.21761311    -10.95022176
  H     16.24321171      9.08333480    -10.23327910
  O     12.69213642      8.51050431     -6.93850324
  H     20.36490889      8.23563688     -8.92062649
  H     15.15134976      9.34275714     -9.15724518
  O     17.93572526      4.02415173    -12.27528947
  H     21.72359499      8.76580348     -9.44276863
  H     19.85750372     10.48668445     -9.24293021
  O     15.26710475      6.12233604     -9.33754627
  H     18.01694097      5.06056996    -10.74410452
  H     18.94158959     11.26231106     -8.25839495
  O     18.46053045      6.43050678    -13.76752267
  H     17.06319494      5.75735565     -9.73909042
  H     15.09829404      6.47003196     -7.35675220
  O     17.80375561     11.34148907     -6.71552514
  H     16.26642235     12.24237360     -9.29937459
  H     15.79457584      7.56588632     -6.53664927
  O     16.02277163      6.74318568    -14.93268163
  H     15.05379600     11.68194533     -8.51737135
  H     12.96715283      6.04368071    -11.18071817
  O     15.89334637      8.76940589     -9.39131314
  H     13.30694933      9.00689536    -11.78521594
  H     14.06235928      6.67243916    -12.08216019
  O     19.31783690     11.28043968     -9.14681667
  H     12.54488569      8.47861736    -10.55150647
  H     18.72951354      7.55689237     -7.55074612
  O     14.97692237      7.05246909     -6.59863906
  H     13.31004499      9.88983743     -8.08146830
  H     18.99971017      6.47246642     -8.62106579
  O     13.76994301      5.84308054    -11.66933751
  H     13.32377507     10.18049921     -9.61385315
  H     16.86937326      8.68324237     -7.88791348
  O     19.43499954      7.09086289     -8.02062292
  H     12.18211736      8.56341554     -6.13464284
  H     17.50615676      9.50204302     -6.74811473
  O     17.29084107      8.60117690     -7.01799488
  H     13.49494000      8.00048280     -6.72938687
  H     14.78779671      4.72694221    -12.76660615
  O     15.48218680      4.40943116    -13.35867351
  H     17.03465834      4.08153420    -12.64127169
  H     15.59133826      5.10480082    -14.01966605
          69
 Energy    -248.49551375305271     
  O     -9.33822876     -1.24060008      5.52155120
  H     -8.47354868     -1.55341519      5.81508939
  H     -7.84823123     -1.23633923     -0.01683458
  O    -11.12321598      0.71008957      1.66075459
  H     -9.41493293     -1.46383094      4.58503280
  H     -5.40052405     -1.47414752      2.26920027
  O     -9.32681267     -1.28085815      2.63113936
  H    -11.24005760      1.29280078      2.42170964
  H     -6.06706726     -1.95247446      0.95440827
  O     -5.25915306      1.12533818      0.68676387
  H    -10.64862219     -0.06807252      1.97984395
  H     -8.33471324      1.05508739      4.20942018
  O     -5.57525141      0.75663390      6.90188082
  H     -8.89119973     -1.73031011      1.89744473
  H     -7.96610841      1.72368120      2.87735537
  O     -1.91611238      2.50526967      1.98468538
  H     -8.78315754     -0.49976252      2.81618371
  H     -6.25135335     -2.70686349      6.43310255
  O     -8.77402932      3.34749425      2.30539660
  H     -5.24228072      0.18954248      0.93305805
  H     -6.30493918     -1.61139036      5.34167941
  O     -9.53297711      1.46478101      5.60561058
  H     -4.44354149      1.28517656      0.19367085
  H     -3.38575263     -1.40406831      1.15799801
  O     -5.74202314     -0.80238368      3.87110612
  H     -5.93410163     -0.13540596      6.83683350
  H     -2.49443748     -0.32705858      0.50488068
  O     -2.66527910      1.38890129     -0.37168694
  H     -4.83152447      0.79908994      6.28482225
  H     -7.40019929      3.96620021      3.45299915
  O    -11.10821747      2.65112219      3.76714379
  H     -2.77513031      2.75249173      2.35694359
  H     -6.91610691      3.65222512      4.89145381
  O     -7.85311237     -2.14242864      0.34551217
  H     -1.59822135      1.77288518      2.52616501
  H     -6.88213354      0.80963810     -0.16977790
  O     -5.23618691     -1.63619547      1.32742893
  H     -9.59314363      3.24190326      2.80881391
  H     -8.38575895      1.08121327     -0.43895324
  O     -7.82519160      0.92539711      3.39855721
  H     -9.00099863      3.13402550      1.39200544
  H    -10.36274141      2.61537982     -0.77375623
  O     -6.64359241     -1.86408507      6.21796895
  H     -8.82093513      1.88963511      6.10111332
  H    -10.31275549      1.68076753      0.46120504
  O     -2.48783228     -1.04702224      1.14785586
  H     -9.52229620      0.50602238      5.75342288
  H     -6.66965345      2.08594019      6.74922236
  O     -6.64675747      4.04409885      4.05287404
  H     -4.97425920     -0.29920437      4.17740621
  H     -7.21577589      3.39509999      7.36170572
  O     -7.69654167      0.41017103     -0.50302128
  H     -6.44419689     -0.16087447      3.68350983
  H     -0.57025123     -0.38226208      3.59153294
  O     -9.77863610      2.26745087     -0.10546091
  H     -2.23319969      1.76625706     -1.13251983
  H     -1.77231670     -0.42269669      2.61857856
  O     -7.32019128      2.79959443      6.62376107
  H     -2.32651601      1.86142285      0.41044646
  H     -4.00066295      1.53412534      4.20642096
  O     -1.40687440      0.03205314      3.39874288
  H    -11.83692198      3.12131583      4.16316251
  H     -2.86079102      0.50950097      4.44975038
  O     -3.71274367      0.81187639      4.78701387
  H    -10.61490727      2.23124423      4.49416934
  H     -4.91023419      2.18875202      2.19284132
  O     -4.54359719      2.67414293      2.94360016
  H     -8.12365023     -2.72041914     -0.36295328
  H     -5.24265609      3.23193120      3.31286376
          69
 Energy    -248.49550030825640     
  O     17.99399717      9.61153069    -15.70784164
  H     18.79473014      9.10043929    -15.51143358
  H     20.18599746      5.30324564    -12.02698105
  O     21.16694261      8.58903014    -12.58601985
  H     17.65590695      9.91636689    -14.86018319
  H     15.18957318      8.15488862    -15.32381345
  O     15.95535853      9.21479327    -10.37410356
  H     20.66954640      9.39132611    -12.36535106
  H     15.43635160      8.94084126    -14.01516346
  O     12.59010128      9.21037787    -12.83354619
  H     20.88054223      7.93732697    -11.93886128
  H     18.59293320      7.27235750    -13.85665976
  O     16.37868215      7.69844510    -16.74198936
  H     15.09717371      9.64714395    -10.28074271
  H     17.46645111      6.28387653    -13.38309406
  O     11.78690052      6.55178913    -12.16633552
  H     15.77821177      8.26241231    -10.41456737
  H     15.02184342      5.46396226    -13.33930214
  O     19.47179128      6.84925710    -10.91162841
  H     12.16439145      8.35905404    -12.66951949
  H     14.46514346      6.89372904    -13.58569143
  O     15.24635091      6.54658564    -10.46691557
  H     13.23942579      9.05289288    -13.52997482
  H     17.60870322      9.18820157     -9.68749251
  O     17.50694810      4.93656574    -10.07431762
  H     16.14706359      7.88176957    -17.64960570
  H     18.61387499      9.33483079     -8.52235806
  O     17.98226486      3.05282279    -11.93966400
  H     16.97573361      8.41308882    -16.45664981
  H     20.37267591      4.93314968    -14.43357111
  O     19.97708530      7.85957346    -14.92462102
  H     12.64903651      6.25608065    -12.50689660
  H     21.11564197      4.64296774    -15.75827064
  O     20.21964897      4.62124764    -12.70549539
  H     11.13828282      5.92634495    -12.47858035
  H     13.05118652      9.87004715    -11.28232467
  O     14.76912021      8.43938347    -14.50304985
  H     19.26195748      7.58616390    -10.32342902
  H     12.83755471     10.91339993    -10.16000029
  O     17.91987001      7.11045900    -13.18039828
  H     18.90020006      6.95532572    -11.69038568
  H     18.54223127     10.42455885    -12.29326036
  O     14.32484356      6.08259503    -13.07768355
  H     14.99473547      6.36048029    -11.38127120
  H     19.17062405     10.20157260    -10.91659085
  O     18.54602606      9.10293311     -9.44551960
  H     14.42057215      6.72381094     -9.99236817
  H     16.89283317      4.69079594    -14.62804267
  O     20.40152076      5.15088666    -15.38210727
  H     18.22966442      5.56480525    -10.18885937
  H     17.01992184      4.01791999    -13.20719621
  O     13.31851578     10.11999292    -10.37946954
  H     16.69153167      5.45471898    -10.11656636
  H     17.29775817      6.01185904    -16.40731869
  O     19.35642808     10.55535578    -11.79546613
  H     17.76990836      3.65639515    -11.20329208
  H     18.57643890      5.19291077    -16.04007867
  O     16.55201358      4.68646937    -13.71998340
  H     17.90013817      2.16452590    -11.60458190
  H     12.85766755      8.32529132     -9.70428324
  O     17.62064031      5.13678714    -16.15907954
  H     20.52459167      8.13841999    -14.17339457
  H     12.28771713      7.06112122    -10.37032948
  O     12.77042152      7.37093317     -9.59272557
  H     20.27338049      6.98488935    -15.20221638
  H     16.47611726      9.63673146    -12.10377682
  O     16.85423683      9.60273354    -12.99237911
  H     19.53580040      3.98207254    -12.46563432
  H     17.24287168      8.71440184    -13.07193990
          69
 Energy    -248.49546177071551     
  O     16.12231889      9.90016954    -17.63713309
  H     15.22409878     10.13506996    -17.37464089
  H     20.87569652      9.45944499    -18.38144569
  O     16.90577007      5.62829768    -13.19398822
  H     16.56029807      9.53386816    -16.84975101
  H     16.75503428      8.92900934    -14.61677955
  O     17.23700536     14.78221333    -13.50772534
  H     17.35535179      5.63905895    -14.04852355
  H     18.20677761      9.16949098    -15.15750098
  O     20.07805498      9.45994711    -14.96398553
  H     15.98966701      5.86689425    -13.37610698
  H     13.87433974     10.70987431    -15.80615012
  O     16.39080811     12.12688498    -10.19844029
  H     17.77928954     14.38860871    -12.80027021
  H     12.73362780     10.68060129    -16.84967174
  O     15.53527013      9.10749448    -13.25888590
  H     17.44600695     15.71181875    -13.52978949
  H     17.04999276     10.45891961    -10.81122570
  O     17.20913005     12.45161630    -15.08694902
  H     20.37246690      8.61175136    -14.60561505
  H     17.98240024     10.21234404    -12.01200684
  O     20.56703203      6.98051746    -13.80337451
  H     20.23550865      9.46034260    -15.91661171
  H     13.84020668      8.33361059    -16.44305641
  O     14.30867690      6.64196891    -13.76619930
  H     15.85529549     12.50774615    -10.91704720
  H     14.69886428      7.23929425    -17.10894848
  O     18.42505509      6.25966317    -15.53419022
  H     15.95989821     12.36381409     -9.38148345
  H     18.89092415     12.65511358    -12.09618746
  O     18.71775592      7.26945723    -11.88732314
  H     16.11601044      9.20593321    -12.49210942
  H     17.94546053     13.04690563    -10.95258802
  O     20.15074302      9.45894168    -17.76155491
  H     15.10877364      8.24273838    -13.24525406
  H     18.25243333     11.59895022    -13.86851414
  O     17.32851460      8.84200372    -15.38903718
  H     17.29177354     13.36266965    -14.78037011
  H     19.46833897     10.64703409    -13.77123458
  O     13.53660013     10.23827404    -16.58764507
  H     17.65327070     12.33637514    -15.93946132
  H     15.68284047     13.87639184    -12.73082126
  O     17.42129213      9.75981434    -11.36248106
  H     21.30983777      6.48070420    -13.47769041
  H     14.78894383     12.65466860    -13.01139533
  O     14.10835904      7.40941804    -16.36701294
  H     19.95227766      7.09520943    -13.05349906
  H     18.70829157      6.68842210    -17.32780134
  O     18.58378499     13.41218174    -11.57696127
  H     14.23226711      6.85262674    -14.71375396
  H     17.78372752      7.15922588    -18.45499537
  O     18.86545169     11.18641971    -13.24305722
  H     13.49727297      6.20931983    -13.51416370
  H     14.94645200     10.60011423    -13.96689903
  O     15.07514594     13.25508605    -12.31163026
  H     17.95172057      7.10603196    -15.50909437
  H     15.58995799     11.78137249    -14.75039872
  O     18.70211252      7.17617857    -18.16303054
  H     19.22388029      6.38355093    -15.00478168
  H     19.00317061     11.05042906    -17.60885931
  O     14.74232262     11.41210606    -14.45725061
  H     18.28920302      8.06548137    -11.55529274
  H     17.48429574     11.17005260    -17.72340151
  O     18.27852532     11.67604116    -17.49951028
  H     18.02032350      6.68118559    -12.21577306
  H     15.50617985      7.37820413    -19.58366991
  O     15.88521068      7.39816238    -18.70781302
  H     19.62656810      8.66077371    -17.95072768
  H     15.98051115      8.33555379    -18.46511799
          69
 Energy    -248.49522108892967     
  O     16.66957939     11.17271604    -15.50606584
  H     15.72368897     11.06289628    -15.31410323
  H     16.08057341      4.23057808    -16.21971757
  O     13.66880951      6.05278733    -15.83921104
  H     16.72278501     11.04329574    -16.45968860
  H     20.01017159      6.41861086    -15.34461221
  O     18.47194574      7.64319499    -12.17090011
  H     14.13647163      5.30616270    -16.23383884
  H     19.64511344      5.82742859    -16.73871463
  O     19.05136599      6.13993111    -18.57986034
  H     13.85350365      6.81043215    -16.40594586
  H     18.88232826      7.89344802    -18.04722648
  O     16.31934224      6.05086852    -18.61811863
  H     19.24588787      7.64034746    -12.74453777
  H     18.02466737      8.27688711    -16.82414448
  O     14.50989646      8.83508273     -9.89481995
  H     17.88914434      8.33310010    -12.52839325
  H     17.01998704      6.64237630    -15.37562960
  O     14.17972524      6.33684569    -13.15057563
  H     19.39945758      5.68851363    -19.34392303
  H     16.89322967      8.08828282    -14.76625102
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  H     18.08077929      6.06932213    -18.62946579
  H     14.05274622      9.63182274    -15.80818486
  O     17.26441088      4.79318701    -15.08407054
  H     15.96682827      5.29028301    -18.13605744
  H     13.90323040      9.95715421    -14.30594307
  O     13.65711918      6.12738244    -10.39229953
  H     15.78069399      6.80120310    -18.34849390
  H     15.12686597      5.28581987     -9.96028552
  O     19.48239627     10.19341153    -15.44527686
  H     14.37726411      9.41574252     -9.15026370
  H     15.96373471      4.22490112     -9.20252365
  O     15.39613672      4.03902375    -16.88637199
  H     15.41814640      8.49147923     -9.82395630
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  O     19.75057203      5.61096629    -15.80448491
  H     13.94649784      6.18700108    -14.07788328
  H     20.11842113      8.77144604    -14.57763840
  O     18.55007436      8.65034300    -17.55165158
  H     15.08202946      6.02303736    -13.01115398
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  O     16.93157901      7.57880146    -15.58515330
  H     16.81435355     10.04085145    -14.07303436
  H     16.59035910      5.11786291    -11.59279071
  O     14.05527031     10.35513079    -15.17422723
  H     15.85193123      9.27865678    -13.11472815
  H     16.76882580      6.71834995     -9.64756885
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  H     18.19926888      4.95000398    -15.28817264
  H     17.62235769      7.71531976    -10.45510616
  O     20.44925213      7.93645823    -14.20521783
  H     17.14018360      4.86180061    -14.12743043
  H     16.66010411     10.83791177    -19.07969360
  O     16.79985690      5.43943240    -12.47794066
  H     13.63750306      6.11994729    -11.35965714
  H     17.30489347      9.76549510    -18.16735535
  O     16.97106650      7.65737348     -9.74514459
  H     13.77501832      7.05180803    -10.14094635
  H     14.16103361      9.11422493    -11.70820848
  O     16.52933591     10.34197529    -18.27553914
  H     19.32615967      9.74290843    -16.28829342
  H     14.06669109      8.09853280    -12.87459322
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  H     18.69431316     10.72617011    -15.30097631
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  O     14.85805012      8.26615124    -17.23499221
  H     15.27598908      3.09347283    -16.89939456
  H     15.53735441      8.00304773    -16.59074285
          69
 Energy    -248.49498892474367     
  O     -5.74484033      0.30027560     -1.46808667
  H     -5.25874159      1.12691000     -1.32660240
  H     -2.61070831     -1.64776899      4.50099771
  O     -2.69529529      1.39250011     -4.66957368
  H     -6.24419454      0.14756804     -0.65543561
  H     -2.51739091      3.18738728      3.58054811
  O     -6.82739446     -0.00860768      1.10626092
  H     -2.07234446      0.65579438     -4.67541155
  H     -1.21775891      3.55568769      2.83461387
  O     -0.45506057     -0.93242932      2.25261283
  H     -3.56868118      0.99773639     -4.55428747
  H     -2.64394665      4.92088156      1.99291129
  O     -1.76345153     -0.99019844     -0.14206831
  H     -6.59829097      0.83218062      1.54197641
  H     -2.29719830      5.18357295      0.50635608
  O     -0.94823076     -0.86818914     -4.21743792
  H     -7.69689236     -0.24864721      1.41613097
  H     -3.76155096      2.18910374     -0.20264500
  O     -4.19630482     -2.01012896     -0.92748227
  H      0.26566205     -0.35849179      1.98684593
  H     -4.82157716      3.29530428     -0.46537160
  O     -0.33683002      0.61067538     -1.93231038
  H     -0.90210634     -1.14215127      1.41688519
  H     -0.43295043      5.35538194     -1.26239945
  O     -2.05488808      2.80834995     -2.41785239
  H     -2.57045384     -1.39514166     -0.48365479
  H     -1.26563265      4.06509363     -1.43592024
  O     -0.25006960      2.89282032      1.30933128
  H     -1.31208783     -0.53707400     -0.86461352
  H     -3.97094660     -1.44683076     -3.90082507
  O      1.28713875      0.78589736      0.34453129
  H     -0.47589990     -1.39584128     -4.85558139
  H     -3.55184427     -2.26183111     -2.66994786
  O     -2.74650332     -1.04812771      3.77134773
  H     -1.74758020     -1.37030589     -3.97453503
  H     -3.39080485      0.74827073      3.78262371
  O     -1.94757694      3.93050899      3.34513416
  H     -4.36454007     -2.15167824      0.01715617
  H     -3.33056235      1.59441423      2.51224045
  O     -2.98317771      5.30441478      1.16977853
  H     -4.71731020     -1.23293686     -1.17053990
  H     -5.40042118     -1.20356016      1.68939217
  O     -4.33459859      2.57643829     -0.88549729
  H     -0.41510781      0.09555685     -2.74663387
  H     -4.09390809     -1.57093589      2.44354960
  O     -0.88182801      4.66752774     -0.77700994
  H     -0.89836139      1.39073840     -2.03886990
  H     -2.36199395      0.57731066      0.60669410
  O     -3.29068348     -2.05013120     -3.57588209
  H     -2.88752603      2.77096781     -1.92471555
  H     -1.79646173      1.96469934      1.04544103
  O     -3.62909238      1.61536292      3.43554297
  H     -2.24369749      2.44447806     -3.29491616
  H     -6.06896690      5.32932772      0.58939176
  O     -4.70021576     -1.86464380      1.75486001
  H     -0.32700659      3.54732882      0.60181755
  H     -4.61622235      4.88851351      0.89168811
  O     -2.61014357      1.46934237      0.87949989
  H      0.40135817      2.23588845      1.03250745
  H     -5.97127292      0.01698709     -4.68844885
  O     -5.51142821      4.56220057      0.68258110
  H      0.79602407      0.68924356     -0.48757284
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  O     -5.18195744      0.01261067     -4.15222514
  H      2.19940982      0.59285339      0.14157533
  H     -5.94031598      3.10108961      1.83238873
  O     -6.09752087      2.28269938      2.31704106
  H     -1.89641874     -0.99124217      3.30227737
  H     -5.30637625      2.11594300      2.84816833
          69
 Energy    -248.49486835647522     
  O     -7.10343630     -2.61014319      5.98369389
  H     -6.24779927     -2.16861014      6.04678716
  H     -6.82482558     -1.11351109      0.76025648
  O    -10.10908069     -2.52610000      2.63441184
  H     -7.76651909     -1.94356829      6.21020606
  H     -4.19392060      1.27445311      1.47793148
  O     -7.86937905     -3.89550914      3.72643949
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  H    -10.49254617     -2.00555848      3.34926538
  H     -7.80695708     -0.25904003      4.56690796
  O     -5.63507524      1.45807223      5.69415308
  H     -7.77990017     -4.83857539      3.83506855
  H     -6.63051536      0.66485316      4.22599726
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  H     -7.58709977     -3.48827343      4.56508470
  H     -4.33919541     -1.15929646      5.16873909
  O     -9.63725669      1.01623170      2.62627586
  H     -6.18353133      2.34784941      1.26950671
  H     -3.92405453     -1.41290430      6.63855301
  O     -8.88110477     -0.47942755      6.11473698
  H     -6.28770112      1.02463083      0.42011673
  H     -2.08858084      3.86872265      1.40834656
  O     -3.91565698     -1.14898547      3.50501622
  H     -5.33657597      0.58822333      5.99195998
  H     -0.86152640      3.34449393      0.62512816
  O     -4.21134387      3.71731047     -0.66147667
  H     -6.44723542      1.69237480      6.15874253
  H     -7.97004882      3.52011328      3.58503211
  O    -11.10175815     -0.47355705      4.42190598
  H     -5.45881787      6.47026182      0.41714529
  H     -9.21594463      2.62098915      3.55734727
  O     -7.18463513     -0.46370291      0.14088327
  H     -4.87746800      5.04407946      0.26639740
  H     -6.64639478     -1.24017506      2.81249284
  O     -3.37739700      1.15702610      1.98802741
  H     -8.75410498      0.74993175      2.92753573
  H     -6.76773369     -2.76960393      2.66450409
  O     -7.30053982      0.09957943      3.82535646
  H     -9.79125122      0.55491352      1.79273907
  H    -10.02459075     -1.50203665      1.21322127
  O     -4.65494361     -1.13684618      6.09180640
  H     -9.73697328     -0.51506333      5.66778638
  H    -10.61587373     -1.06324328     -0.14884446
  O     -1.78332178      3.17396877      0.79757658
  H     -8.73490371      0.43647618      6.38653652
  H     -8.44939960      2.85568811      7.24043448
  O     -8.72624603      3.23510308      4.11786497
  H     -4.62566402     -1.56249229      2.99605137
  H     -8.42010364      2.62233901      5.70966444
  O     -6.30842813     -1.99977763      2.31091919
  H     -3.61150167     -0.39627549      2.98185199
  H     -3.65397085      5.39374750      2.02612681
  O     -9.98846833     -0.81429870      0.52423217
  H     -4.76774329      2.97861914     -0.37333387
  H     -3.29816948      4.41029088      3.15739925
  O     -8.22150028      2.21440164      6.57299681
  H     -3.32254115      3.51127681     -0.34839683
  H     -4.62030516      2.50452404      4.67162993
  O     -2.90865223      4.99620355      2.49266319
  H    -12.01709946     -0.21156422      4.47918286
  H     -3.85890105      2.30630869      3.33272092
  O     -4.19901998      2.97776127      3.94150095
  H    -10.67476977      0.12592872      3.78579004
  H     -5.71222420      3.52314914      3.08320865
  O     -6.48240512      3.76599434      2.54876106
  H     -8.13967792     -0.58854600      0.15316559
  H     -6.20227263      4.51181792      2.00329347
          69
 Energy    -248.49447644006037     
  O     -2.51596842      7.51873929    -11.08642328
  H     -1.75370629      7.98960066    -10.72363300
  H     -7.14584882      4.20033643     -9.20418539
  O     -7.88961949      8.48889654     -9.24017494
  H     -2.50375028      7.59283593    -12.04986934
  H     -6.02383378      4.95425062     -6.99162186
  O     -4.26190991      9.69130430    -10.65416497
  H     -7.37420417      7.91940442     -9.83505631
  H     -7.13816195      5.98254506     -6.72765637
  O     -7.31649666      9.81102184    -13.66760131
  H     -8.33773889      7.89494348     -8.62748637
  H     -4.87455190      4.45878108     -8.84950317
  O     -1.17302553     11.42960627    -11.20677168
  H     -3.69643717      8.92810845    -10.81855116
  H     -4.91054781      2.98469724     -8.38957383
  O     -2.80960646      7.97250701    -13.82070310
  H     -4.55528062     10.03177154    -11.50767415
  H      0.30325102      8.83956213     -9.47836947
  O     -3.48968237     12.16573778     -9.66556901
  H     -8.07087049      9.88529778    -14.24524759
  H     -1.10499162      9.10060577     -8.89453800
  O     -8.82223660      6.36371529     -7.62128372
  H     -7.62200775     10.04271004    -12.77124764
  H     -4.20482627     11.71017502     -6.14520333
  O     -5.62668697      9.69374230     -8.27567121
  H     -0.91887100     10.65227223    -10.69398386
  H     -4.61876213     10.83953687     -7.35608061
  O     -7.93560926     10.58036816    -11.14285350
  H     -1.81177915     11.90517492    -10.66340763
  H     -3.28634753     10.95466075    -13.47458269
  O     -2.09620084      9.20404889     -7.47375328
  H     -2.39892396      7.62937306    -14.60939344
  H     -1.88530461     10.92857883    -12.82123836
  O     -7.89152793      4.70054663     -9.55826387
  H     -2.61261957      8.92714133    -13.79136828
  H     -6.16345757      8.30376368    -13.52724083
  O     -6.25400423      5.71749578     -6.44715006
  H     -3.51873000     12.07427326     -8.70497927
  H     -4.71601138      7.72876843    -13.53779137
  O     -5.43239842      3.78187792     -8.42967244
  H     -3.60721721     11.27116571    -10.02491791
  H     -6.20630400     13.69136838    -10.70136294
  O     -0.59803703      9.03284518     -9.72369400
  H     -9.67313430      6.09895789     -7.28213286
  H     -5.12012481     12.66599333    -10.31475433
  O     -3.90844238     11.40028954     -6.99689453
  H     -8.58544770      5.72190717     -8.31573920
  H     -5.80164137     10.79301790    -13.34261252
  O     -2.39110828     10.60549592    -13.58018332
  H     -6.50676489      9.33920333     -8.45457941
  H     -5.37839179     11.87840592    -12.32114455
  O     -5.62142944      7.55137487    -13.26016960
  H     -5.16118296      9.68296659     -9.12694391
  H     -4.07923537      6.48253594     -8.63729833
  O     -5.97766781     12.76648831    -10.75855551
  H     -8.01469261      9.92509733    -10.43727097
  H     -3.45340200      6.37337447    -10.05738710
  O     -5.03538007     11.22379013    -12.94191850
  H     -7.34803795     11.27556935    -10.82789583
  H     -4.80100558      8.25526521     -7.49859936
  O     -4.06652359      5.94659525     -9.44395391
  H     -2.72184241      8.49542431     -7.26984947
  H     -4.93962853      6.89941244     -6.75704249
  O     -4.29748185      7.50125051     -7.16150598
  H     -2.54785107     10.01947205     -7.22992522
  H     -5.61525661      6.47821516    -10.32240282
  O     -6.42222022      6.74210097    -10.78166326
  H     -7.49527351      5.35041122    -10.15666081
  H     -6.16907011      6.98394983    -11.68399358
          69
 Energy    -248.49419596536097     
  O     18.54002669      8.91601030     -7.14770514
  H     18.73093182      8.00585046     -6.89012430
  H     16.22449505      8.37923639     -9.21867367
  O     19.06702208      4.74585141    -10.45669213
  H     19.37390966      9.32924873     -7.40262847
  H     20.46402030     10.54496183     -9.10944252
  O     19.08763862      7.72849131    -13.13397885
  H     18.97538642      5.71253045    -10.43971594
  H     21.31200180     10.96597728     -7.88428867
  O     22.85489487      7.44085742    -11.69116211
  H     18.40598176      4.40894578    -11.08359064
  H     16.67525286      9.59470185    -12.71660953
  O     17.04386859      4.10249899    -12.10575034
  H     18.23630610      8.06227498    -13.43198976
  H     16.11782177      9.34352429    -14.13592181
  O     21.16832402      9.56800528    -12.64051900
  H     19.01648395      7.66838387    -12.16722204
  H     20.43508273      5.15929352    -11.90581109
  O     20.78337631      5.24667887     -8.23571369
  H     22.23609937      6.76024512    -12.01284564
  H     20.29460686      6.27413280    -12.95541171
  O     14.86946454      3.30719914     -8.72255544
  H     23.72829968      7.16511513    -11.95523335
  H     13.78342003      3.90675642    -11.77634320
  O     21.47275544      7.72234879     -9.28431912
  H     16.36648206      3.44632448    -11.90378969
  H     14.01966261      5.39454966    -12.10453287
  O     18.90434647      7.49295730    -10.38921402
  H     16.57529832      4.93640536    -12.24426473
  H     14.48152437      6.46330388     -9.22730151
  O     18.91984632      6.14111914     -6.49188624
  H     21.87211580      8.96361831    -12.37892023
  H     15.99323482      6.18199723     -9.00745735
  O     16.85502526      9.11210133     -9.24807008
  H     20.46057223      9.00095474    -12.97599310
  H     15.82405329      7.31260631    -12.60549964
  O     20.84134547     10.23059291     -8.26648676
  H     21.15931693      6.08039318     -8.55518255
  H     15.53131289      6.68202539    -11.21368048
  O     16.50125930      8.90677374    -13.37869934
  H     20.32842927      4.85681627     -8.99251540
  H     18.92607581     10.94429428    -10.95173515
  O     20.94007611      5.69495733    -12.52596642
  H     15.67868587      3.77767414     -8.48281147
  H     20.35554174     10.53734261    -11.37148226
  O     13.34622978      4.76778742    -11.80667259
  H     14.16555180      3.96753281     -8.72055290
  H     17.65477159      5.34238255     -7.62712549
  O     15.36531312      6.82347619     -9.37055188
  H     22.04968159      7.72702544    -10.05950386
  H     17.78129646      4.74873713     -9.05171343
  O     15.54663658      6.50281317    -12.16454316
  H     21.43387746      8.61270038     -8.91311664
  H     12.98441954      5.18689727    -10.14827406
  O     19.84111598     10.94615821    -10.65810251
  H     19.76700142      7.66055663     -9.98561600
  H     12.03942126      5.52973818     -8.96937102
  O     17.14899229      4.95287551     -8.35105587
  H     18.25434979      8.05490030     -9.95507446
  H     16.56798166     11.59438578    -11.16949038
  O     12.95629218      5.41129421     -9.20004218
  H     19.08702703      5.83642745     -5.60352573
  H     16.90219570     10.21058348    -10.56171332
  O     16.99767742     10.76367111    -11.35909108
  H     19.64156346      5.79644546     -7.04830137
  H     14.75819518      1.48179901    -11.35723894
  O     14.89195714      2.42392340    -11.30143803
  H     17.36048607      9.11793313     -8.42046611
  H     14.90571609      2.65120134    -10.35469554
          69
 Energy    -248.49405853132333     
  O     12.74563486      9.05711794     -9.92191486
  H     13.22861457      8.32660491     -9.52440019
  H     13.90659657      4.07932397    -13.59304504
  O     12.58504635      4.76732875    -14.86531979
  H     13.42528675      9.70452236    -10.16502887
  H     15.48037171      7.09808626     -9.09612254
  O     14.46181930     12.05253508    -13.22486409
  H     11.89381006      4.22020837    -15.22863410
  H     14.51945549      6.73085291     -7.94770656
  O     17.35132582     10.18973346     -9.96508646
  H     12.15095893      5.41651270    -14.28303912
  H     18.28581552      6.48040773    -16.48354855
  O     11.05712760      9.18348670    -12.04763266
  H     14.58461563     11.61559504    -12.36847969
  H     19.60207624      5.66492345    -16.45829252
  O     16.93316101     12.11396161    -14.32480539
  H     13.65850864     11.67461762    -13.59581318
  H     11.75090884     10.13648370    -13.43051697
  O     14.84040701     10.46702924    -10.99878931
  H     17.39999970      9.24849692     -9.77306731
  H     11.40985410     10.99539551    -14.66792817
  O     17.43045422      6.91711675    -12.30183906
  H     17.84315934     10.33112054    -10.78973556
  H     12.14749680      6.24879864    -12.34489942
  O     16.97071826      7.32056344    -17.26191389
  H     10.18055965      9.29916971    -11.68821917
  H     11.29827114      7.41740552    -12.85439371
  O     16.73973568      5.15696489    -14.32332229
  H     11.65448440      9.11250778    -11.28186722
  H     13.45609744      9.43300082    -14.84303635
  O     14.70707513      6.28761508    -15.89562170
  H     17.16317844     13.01519486    -14.53434120
  H     14.43611694      8.55909214    -14.02770001
  O     14.58912151      3.97232662    -12.91817964
  H     16.03693055     12.13488561    -13.94376456
  H     13.99477829      5.14937223    -11.70133001
  O     14.54893262      6.93580739     -8.87951559
  H     15.69369553     10.50668887    -10.54328461
  H     13.88772727      6.03639984    -10.39495554
  O     18.93698542      6.05303200    -15.89668044
  H     14.85641470      9.65327163    -11.52471511
  H     17.35113595      7.09637432    -10.54787379
  O     12.13625967     10.60256212    -14.18953976
  H     17.96269581      7.50638572    -12.85435296
  H     18.01666432      6.91280246     -9.16790797
  O     11.54858652      6.51249186    -13.06098007
  H     17.16531450      6.18817964    -12.87945731
  H     19.01036486      7.60852673    -14.77013278
  O     14.19693812      8.82461439    -14.93059517
  H     16.14455966      6.89922907    -16.98926320
  H     18.05283561      8.82113055    -14.74621207
  O     13.54935853      5.90423062    -11.28667189
  H     16.93425446      8.22065569    -16.91157023
  H     15.81597344      7.74531910    -12.40456367
  O     17.24060755      7.26657158     -9.59693083
  H     16.03708783      5.56401950    -14.85238725
  H     14.35300442      7.36772675    -12.05533537
  O     18.74795717      8.37142851    -14.24197270
  H     17.55468098      5.27705780    -14.82530435
  H     18.81108267      9.85510081    -13.02806135
  O     14.90648462      8.06870497    -12.42354201
  H     13.96021979      5.71615256    -15.67870891
  H     18.00906675     11.16362587    -13.02707936
  O     18.51701687     10.57403300    -12.45672684
  H     14.45315666      7.18023798    -15.61830175
  H     16.86130682     10.57199052    -15.34828709
  O     16.73675325      9.67566005    -15.68556196
  H     15.42074264      4.20196612    -13.35215869
  H     15.82980270      9.42798606    -15.45561494
          69
 Energy    -248.49404104602255     
  O     11.75492334     11.61301144    -11.93474039
  H     12.29413487     11.13331568    -11.28084999
  H     17.47565446     13.56961714    -16.87743279
  O     20.74650046      7.63402438    -12.33532171
  H     11.18226730     12.19561228    -11.44236290
  H     12.54624160     10.04194661    -15.08358125
  O     18.37591079     11.46755163    -12.38735544
  H     21.63261588      7.39955439    -12.07370326
  H     13.99542403      9.49731876    -14.98306639
  O     16.51353838      7.36377168    -11.95111389
  H     20.81555831      8.08405094    -13.19657840
  H     15.14115680     11.40204377    -13.06621597
  O     14.78474288      7.91376537     -9.75996091
  H     17.46540593     11.19986020    -12.59950958
  H     15.59985293      9.92550820    -13.15669013
  O     18.59119633      6.05642386    -13.39021999
  H     18.28825041     12.32303467    -11.95308120
  H     17.59720725      9.28416292     -9.58625671
  O     13.78953345     12.42526539    -13.75919639
  H     17.22784103      7.96362230    -11.68901414
  H     16.56035263     10.36472929     -9.22092939
  O     17.35406130      8.96918257    -15.98838555
  H     15.85117573      7.41553670    -11.25171687
  H     20.27663156      8.10855061    -15.33397059
  O     18.63844884      9.00955660    -11.11936884
  H     14.51737275      7.30244910     -9.07799172
  H     20.28619423      9.60553823    -14.94831265
  O     15.65332497     10.99728394    -16.95237226
  H     15.52322197      8.43421511     -9.39270179
  H     15.23056794     13.61515095    -13.77883213
  O     19.05026722      6.75752418    -15.97144876
  H     17.80720297      6.33504968    -12.90080805
  H     16.56820773     13.70048789    -14.53801686
  O     17.30920697     12.98135127    -16.14501930
  H     19.34450958      6.45776223    -12.93843032
  H     17.65914964     14.75159811    -11.06848709
  O     13.45120644     10.18531307    -15.39272356
  H     13.08140854     12.29528180    -13.11687581
  H     16.90206678     13.98331545    -12.17670446
  O     15.76784937     10.76116828    -12.70656477
  H     13.66029212     11.75095132    -14.44219223
  H     13.69977493      9.50847758    -10.05791515
  O     16.86222109      9.47629323     -8.98835681
  H     17.88927859      8.17677979    -16.11697065
  H     14.08628149     10.99376672     -9.95033486
  O     20.74120561      8.76638213    -14.80138978
  H     17.93945470      9.64765579    -15.62302561
  H     18.91360850     11.18822507    -14.08103994
  O     16.11853530     13.99447877    -13.73660543
  H     19.42703183      8.54958870    -11.43201219
  H     18.56880979     11.73866233    -15.47843486
  O     17.35275736     13.88425716    -11.31775945
  H     18.64607735      9.88971335    -11.52036835
  H     10.42815380      9.25637870    -13.80128295
  O     13.34034534     10.40084601    -10.11574993
  H     14.79412768     10.77943963    -16.56947869
  H     11.19820175     10.49249503    -13.31131174
  O     19.01970674     11.01406523    -15.02757906
  H     16.20837118     10.21904999    -16.80718481
  H     15.72768487     11.32606330    -10.98761344
  O     11.01750971      9.94835204    -14.09232985
  H     19.20546884      5.99115272    -16.51625095
  H     16.25444122     12.60994349    -10.33623677
  O     15.76214494     11.80484924    -10.14340752
  H     18.84145582      6.43229595    -15.07696241
  H     16.02673523      8.56892556    -14.83879613
  O     15.31079547      8.46030441    -14.19483783
  H     16.66115776     12.32495517    -16.45932588
  H     15.66220737      7.93442109    -13.46400154
          69
 Energy    -248.49403920771556     
  O     16.14736090     12.46907055    -16.99463195
  H     16.14824694     13.22023804    -17.58226015
  H     16.49827171      4.60076416    -15.86965573
  O     15.80880531      7.43616411    -13.36983413
  H     15.32114948     12.51954650    -16.48238140
  H     15.82202829      8.18947533    -17.68764135
  O     18.21972636     11.89544318    -15.04246191
  H     15.79095553      7.84886065    -12.49782831
  H     16.04471434      6.74085843    -18.18307618
  O     19.49938234      7.00027038    -17.24956072
  H     15.54771171      8.14078154    -13.98518732
  H     14.29073798      9.73810444    -15.19366392
  O     12.71568193      7.94436115    -17.68590324
  H     17.68846531     11.77808718    -14.24297438
  H     15.72500118      9.60089140    -15.77674517
  O     15.97104770      9.20748337    -11.21753493
  H     17.60345550     12.22549136    -15.70684279
  H     12.84539080      9.47645237    -12.33592493
  O     11.73153101      8.48145732    -13.53071631
  H     19.41526651      7.88299704    -16.86645428
  H     14.12026039      9.69218831    -11.47101750
  O     13.84153458     12.62624906    -12.71805979
  H     19.66476027      6.40760915    -16.50572191
  H     18.73093606      8.06703080    -11.88681727
  O     19.50559476      5.24679128    -14.97647172
  H     13.65230590      7.70432466    -17.78612250
  H     19.42242995      8.73852556    -10.69204822
  O     17.54071569      5.77831750    -18.67031341
  H     12.30967131      7.82558426    -18.54099006
  H     12.53954687      9.37936574    -16.47824389
  O     15.09423600      5.73031687    -15.40079487
  H     16.15981747      9.97088047    -11.78365735
  H     12.14871886      9.58884339    -14.98834288
  O     17.32201218      4.25299724    -16.23836290
  H     16.83665371      8.89207962    -10.92326755
  H     18.83247173     10.26847949    -15.51308367
  O     15.39357805      7.32464543    -17.77348472
  H     10.86235116      8.30452981    -13.17845906
  H     18.82091397      8.79349657    -15.01250425
  O     15.20504724      9.53174781    -14.96672161
  H     11.98143135      7.69865992    -14.05237756
  H     18.93259430      6.72685010    -14.02949126
  O     13.32199667     10.12291435    -11.80231406
  H     13.51901933     13.27198159    -12.09528366
  H     17.61801277      7.44022825    -13.59696160
  O     18.60186702      8.33369675    -10.96363362
  H     13.58163765     11.75195206    -12.37443949
  H     17.49007696      9.58064596    -16.87906326
  O     12.55725996     10.01694223    -15.75269212
  H     18.72426364      4.82061653    -15.37236141
  H     16.49550746     10.68251108    -17.36917800
  O     18.90987824      9.34650009    -15.80068972
  H     20.09658810      4.54734407    -14.71139247
  H     15.58755224     11.91650376    -12.89314956
  O     18.57784454      7.54761347    -13.66420611
  H     18.26224675      6.26025862    -18.22564397
  H     15.93165808     10.69708708    -13.76641674
  O     16.64421404      9.72865325    -17.32939788
  H     17.87437406      5.50929779    -19.52182681
  H     13.25473662     11.76366655    -15.73147050
  O     16.29388020     11.28852663    -13.08831516
  H     15.21363912      6.32295773    -16.15568231
  H     13.80656869     12.66980477    -14.61848866
  O     13.82001902     12.53126523    -15.57364415
  H     15.35671516      6.22110325    -14.60744368
  H     13.24807572      6.04521866    -15.19815095
  O     12.38372624      6.47503878    -15.23603678
  H     17.37010161      4.60053244    -17.13710617
  H     12.34180860      6.87781340    -16.11148379
          69
 Energy    -248.49403602024796     
  O     13.64581069      4.81337159    -10.48502054
  H     13.79153548      5.47989038     -9.80401922
  H     12.65596957      9.47381596    -14.68762437
  O     17.51013505      8.26679987    -14.09692116
  H     14.50434944      4.67614433    -10.90864638
  H     16.74699978      9.94764165    -11.31890858
  O     16.41043941     11.66826579    -10.85416907
  H     16.97614517      7.46544032    -14.19234475
  H     17.15354691      8.89466587    -12.42380619
  O     11.43740895      8.08123168    -14.96071461
  H     18.41846588      7.97217134    -13.95115063
  H     15.18764086      8.46056101    -12.11733344
  O     18.65496766      3.47049092    -11.92703212
  H     16.27659112     12.09495626    -11.72074476
  H     13.72004622      8.30345233    -11.65066358
  O     13.33339450      6.26372970    -14.11219591
  H     16.91987479     12.27361663    -10.32276675
  H     12.33287023      4.89950389    -11.57509987
  O     16.85449938      6.86542233     -9.85586637
  H     12.09703492      7.38544195    -14.79761123
  H     11.10375452      4.21054895    -12.21350785
  O     13.56277484     11.20897623    -10.62473415
  H     10.91917259      7.79776551    -15.70946084
  H     20.86913437      7.41488415    -13.39872433
  O     18.72182774      4.71659221    -14.34251137
  H     18.72586361      3.81366762    -12.83633896
  H     19.79120733      6.81155182    -12.46686255
  O     15.86567381     12.70396131    -13.26683933
  H     19.02131793      2.59090924    -11.93239317
  H     15.18379679     10.31364821    -14.96884265
  O     13.00900370     12.44526773    -13.14175847
  H     13.72853758      6.90793644    -13.50024690
  H     16.63144195      9.79021644    -14.81577315
  O     13.37592112      9.99278074    -14.31092536
  H     12.77766693      5.68850339    -13.57026230
  H     16.13027150      5.48580644    -13.28139301
  O     16.80566955      9.00701573    -11.52853205
  H     16.88302444      7.67125697    -10.39616080
  H     15.18462685      5.86889821    -14.43148018
  O     14.30616408      8.20142617    -12.41130596
  H     16.03778777      6.90924243     -9.34481325
  H     19.22829252      5.13047336    -11.11988006
  O     11.64173799      4.99602019    -12.25620820
  H     13.27157498     11.69860492    -11.40359024
  H     18.62766990      6.35629238    -10.40132540
  O     19.96320156      7.11866877    -13.37483244
  H     14.51525798     11.35112960    -10.57370980
  H     11.03828799      6.79858675    -12.07055552
  O     16.11066603     10.57713391    -15.01892216
  H     19.24139968      5.51144831    -14.16761377
  H     10.92872753      8.01849508    -12.99072794
  O     16.11641349      5.82067725    -14.19121263
  H     17.81895766      5.02408822    -14.50058963
  H     16.96200698      4.20542148    -11.63748896
  O     19.38405073      6.06321069    -10.92438527
  H     16.06240012     12.03287731    -13.93867723
  H     16.44928322      5.52640456    -11.00278249
  O     10.88668460      7.75327018    -12.06625479
  H     14.90749388     12.81298293    -13.27394748
  H     13.67237417      7.60517531     -9.17497458
  O     16.20436390      4.80159179    -11.59731629
  H     13.08359366     11.59966636    -13.61684386
  H     13.99607226      7.02663339     -7.77992404
  O     14.24154530      6.97434732     -8.70039696
  H     12.27893750     12.91829729    -13.53212918
  H     11.93556785      8.43892694    -10.74526334
  O     12.69156369      8.65643224    -10.18065053
  H     13.74543033      9.44892250    -13.59901139
  H     12.90472187      9.59841402    -10.27474638
          69
 Energy    -248.49389234308074     
  O     13.77052514      2.00633617    -13.59308798
  H     13.89634542      1.69634906    -14.50013160
  H     16.12567213      3.52770392    -14.17672279
  O     20.30003915      7.10782275    -16.83324650
  H     14.63387509      2.33135326    -13.30501106
  H     16.11559136      3.80477284    -19.86413907
  O     13.22198299      4.88730364    -19.06095147
  H     19.81129903      7.84466580    -16.44627480
  H     14.62470900      3.67364165    -19.50774727
  O     17.34333242      8.66877721    -18.30218518
  H     20.19850839      6.37371076    -16.21420220
  H     19.36821103      4.17983451    -14.66706311
  O     15.25073955      6.66463604    -15.75741252
  H     12.88484328      4.53881945    -18.21637064
  H     19.00262195      4.75742316    -16.02733196
  O     18.17846955      3.99603164    -17.38116920
  H     12.46430056      5.00036902    -19.62926709
  H     18.24927732      6.24249148    -14.52910572
  O     14.26509979      1.75355977    -16.35973187
  H     18.03341486      8.21592227    -18.80243260
  H     17.91584330      7.75334555    -14.69691608
  O     18.78601479      2.44327434    -14.23545804
  H     16.53670062      8.15580336    -18.43819334
  H     13.05999642      5.61208537    -13.64535394
  O     18.44936451      9.08428560    -15.85631143
  H     16.09092798      6.81289194    -15.30506279
  H     14.34521812      6.18251075    -12.98665474
  O     15.82605271      3.95779795    -15.90531026
  H     14.56163709      6.66825690    -15.07598925
  H     12.15466777      4.00413331    -15.84912331
  O     17.28800097      5.26478324    -19.66225532
  H     17.90846868      4.33487135    -18.24321264
  H     12.89809612      2.95900589    -16.69145080
  O     16.27031080      3.28587064    -13.24830320
  H     18.29873747      3.03880070    -17.42366262
  H     18.86019023      0.54722154    -17.20775980
  O     15.41607014      3.15819043    -19.70630261
  H     14.80444955      2.54874632    -16.20912971
  H     17.41428321      1.00400538    -17.48909250
  O     19.38864036      5.00348132    -15.17130294
  H     14.71727143      1.25973060    -17.04961627
  H     15.22808796      6.78373209    -17.51289352
  O     17.62425621      6.93675415    -14.27179107
  H     18.54953673      1.96140720    -15.03345807
  H     14.49606654      6.22681259    -18.75219435
  O     13.63075785      6.39030167    -13.60060342
  H     17.95438299      2.60923483    -13.76963484
  H     16.39193587      6.27767287    -11.34839099
  O     12.36346108      3.76263688    -16.75790783
  H     18.56102036     10.01943371    -15.70801565
  H     16.67893144      6.34040987    -12.86445759
  O     18.22748719      1.23566320    -17.01356948
  H     17.98599231      8.98937549    -16.70796537
  H     19.80484330      7.00254569    -18.52075056
  O     15.25341579      6.76020383    -18.48250294
  H     16.64159922      3.97024877    -16.42179774
  H     20.15841834      7.32295966    -19.99078205
  O     16.12207984      5.91693756    -12.18951030
  H     15.49093089      4.86274990    -15.88453167
  H     15.64812569      0.10166615    -19.09622520
  O     19.44186587      7.05196649    -19.42295136
  H     16.58740167      5.80554195    -19.26497330
  H     15.73016834      1.64028950    -18.95680659
  O     15.90199498      0.79784683    -18.49607786
  H     18.06561312      5.83306449    -19.73164945
  H     11.21353879      3.89164148    -13.46683588
  O     12.03578960      4.07804074    -13.91282364
  H     16.23345575      4.11173183    -12.75159423
  H     12.62435497      3.32253745    -13.73809911
          69
 Energy    -248.49370002421040     
  O     17.85803323      8.98610551    -11.03083048
  H     17.55504317      8.15431193    -10.64446700
  H     19.17458489      9.58670168     -9.95487960
  O     14.16862917      9.63109346     -9.68531144
  H     17.09016988      9.54899353    -11.18843643
  H     19.36309645     10.06393144    -13.53160292
  O     20.08980485      3.62884670    -11.52315170
  H     14.89254259      9.78321388     -9.04965414
  H     18.58497099      9.07011737    -12.63774008
  O     21.06906881      7.70485736    -12.38081564
  H     13.36655710      9.91653799     -9.25649077
  H     20.70445327      4.64942923    -13.06131884
  O     16.22751765     10.12613439     -8.04750256
  H     20.29049049      2.71295287    -11.35345865
  H     21.04073528      6.11939599    -13.37746932
  O     18.33239485      5.18527643    -14.99128003
  H     19.17512706      3.66142866    -11.86044013
  H     17.71881908      4.32854814    -13.42247554
  O     17.66026247      7.84540562     -7.38032852
  H     21.53771314      8.47076030    -12.02200359
  H     16.82667107      4.25920055    -12.15511243
  O     20.50298258      7.55835514     -7.95282941
  H     20.34369873      8.09183910    -12.89120122
  H     15.09393448     10.43006675    -11.07686179
  O     17.40206234      6.53900120     -9.83218646
  H     16.86458463     10.82814769     -8.21516637
  H     15.42597948     10.14542563    -12.56536664
  O     18.29951712     12.03862383     -8.68013412
  H     16.73061919      9.36212900     -7.72892355
  H     14.26249955      9.08664270    -14.56001287
  O     17.88911532     12.40935908    -11.49130849
  H     18.41889899      4.74859032    -15.83514865
  H     15.62485206      8.44768426    -14.20310715
  O     19.86529950      9.91201410     -9.35580277
  H     19.23255338      5.26644249    -14.62913262
  H     21.32220075     10.79096523    -12.01272751
  O     19.00278328      9.16920921    -13.50866892
  H     17.43019761      7.32019225     -8.16048085
  H     21.22904988     10.16756687    -10.61923713
  O     20.77563627      5.28375817    -13.78460902
  H     18.61919074      7.78177791     -7.32708026
  H     14.42946225      7.87228220    -12.32294077
  O     17.61865252      3.89325918    -12.56630396
  H     21.28897372      7.28500850     -7.48671982
  H     14.22633329      8.09021018    -10.80776804
  O     15.71296492     10.64265607    -11.78811982
  H     20.42540568      6.97993170     -8.73012307
  H     17.77784342      8.26085844    -14.45471931
  O     14.84924626      8.90590182    -13.83083634
  H     18.30437187      6.26494495    -10.04572290
  H     17.41238347      6.82835785    -14.88914952
  O     21.78559419     10.19748600    -11.40925436
  H     16.78511730      5.92749231    -10.24855572
  H     20.20229249     12.50817435    -13.64168072
  O     14.29371857      7.40866059    -11.48713489
  H     18.70213934     12.63471389     -8.05352876
  H     19.26115299     12.03560124    -12.51133745
  O     17.05069437      7.71541745    -14.78944119
  H     18.94286245     11.32705960     -8.84359646
  H     14.99576820      5.84953666    -11.30594836
  O     20.00018126     11.76200314    -13.08365845
  H     17.07575806     11.91767164    -11.66689168
  H     14.80521147      4.43561106    -10.71258757
  O     15.44403099      5.00045248    -11.14006573
  H     17.99873291     12.40299596    -10.53294331
  H     20.20539393      5.21185266    -10.60881771
  O     20.14510361      6.11903301    -10.28354946
  H     20.12354229      9.17191163     -8.79389796
  H     20.46005518      6.69738563    -10.99382265
          69
 Energy    -248.49351188764388     
  O     13.73488600     10.43696441    -15.88039638
  H     14.07202840      9.66675338    -16.36093576
  H     16.80066637      5.29060890    -14.89434768
  O     16.99847893      6.37885821    -13.35440008
  H     14.48395808     11.03416200    -15.78362058
  H     20.61920880      9.06514302    -14.13046029
  O     18.50048613     10.21697998    -11.62064048
  H     17.78772300      6.57362028    -12.83417470
  H     20.29887857      8.07833464    -15.25958730
  O     18.45820925     10.60687010    -15.83073470
  H     16.87758526      7.15647898    -13.92122864
  H     16.35163842      9.34393897    -13.99515596
  O     13.82924550      5.66391473    -16.18260340
  H     18.35705621     10.20050866    -10.66649214
  H     17.37501247      9.21740843    -15.12798793
  O     15.17988911      9.31531933     -9.23698870
  H     17.65318791     10.45356713    -12.02846108
  H     12.67540857      9.88334804    -14.62436411
  O     14.69921909      6.77603073    -11.89322658
  H     19.06856922     10.79930338    -15.10554093
  H     11.24767089      9.87261554    -14.02807556
  O     16.13468022     10.80318570    -12.84374899
  H     18.89695417      9.95621181    -16.39650038
  H     18.16298399      8.02200868     -9.18127149
  O     17.48172016      6.95071021    -17.55452366
  H     13.19454678      5.08959517    -16.60249028
  H     18.60317700      7.05977894    -10.30195787
  O     15.50574946      6.47084953     -9.22680998
  H     13.41355472      5.99145671    -15.36521630
  H     12.47958045      7.63539236    -13.94374403
  O     19.65881273      8.42980201    -17.07170099
  H     15.16240741      8.35470743     -9.13568486
  H     13.36423747      6.63183935    -13.16966523
  O     16.60735819      4.99634384    -15.79381716
  H     14.67335746      9.50737887    -10.03563532
  H     19.65057598     10.70950008    -12.86350526
  O     20.58460981      8.12398736    -14.33998430
  H     14.88822386      6.55940450    -10.97254972
  H     20.87280309     11.51773037    -13.35841496
  O     16.65497648      8.74783916    -14.69055227
  H     15.49772377      6.56655352    -12.39979403
  H     18.90070548      8.39092702    -11.88879574
  O     12.12794594      9.52936550    -13.90068707
  H     15.30387343     10.46031548    -12.48335311
  H     19.76351815      7.51903229    -12.81601197
  O     18.13524551      7.09776900     -9.45726009
  H     15.95594041     11.36160810    -13.60901886
  H     16.84627381      9.77811794     -9.02509567
  O     12.77351104      6.71742928    -13.93031062
  H     17.30614179      6.18154843    -16.99208106
  H     17.94432908     10.38572269     -8.11937578
  O     20.19721166     10.90784533    -13.64322706
  H     16.64353606      7.42400348    -17.59498265
  H     14.25566423      8.52958134    -11.85437513
  O     19.19295989      7.48092058    -12.03497485
  H     15.37605599      5.78840926     -8.57409613
  H     13.25157114      9.55706747    -12.43551176
  O     17.80706308      9.91647311     -8.93767904
  H     16.46745968      6.60461275     -9.30836530
  H     16.91010172     11.57029092    -15.65180899
  O     13.98634196      9.46041324    -11.81702174
  H     18.89378465      7.85737068    -17.26585009
  H     16.18576149     12.93011492    -15.73857764
  O     16.09681180     12.04051940    -15.40473419
  H     20.28251162      8.29801620    -17.78049135
  H     15.53369814      8.29666766    -16.07243138
  O     14.97632730      8.14932273    -16.85241962
  H     15.65361856      5.09813894    -15.90277027
  H     14.53161469      7.30249475    -16.71380392
          69
 Energy    -248.49347208028263     
  O     -1.17905629     -0.75301164      5.04571903
  H     -0.57807074     -0.00232665      5.14314739
  H      3.13289370     -2.18019415      2.55987972
  O     -1.30590134      2.80485232      7.02027553
  H     -0.88304183     -1.25690573      4.27434037
  H      1.83252615      1.61214489      0.98341196
  O     -5.09679678     -0.18611552      2.06488368
  H     -1.12178391      3.12878140      7.89778289
  H      2.68760202      2.89909287      0.89911221
  O     -4.04890626     -3.88499573      5.11369253
  H     -2.08850719      2.22885942      7.09227931
  H      0.54502029      2.99355355      2.32837849
  O     -0.40511131     -1.99116250      2.69360554
  H     -4.32410144     -0.02945203      2.63290137
  H     -0.97255121      2.77693970      2.14915479
  O     -2.76769867     -3.53230036      2.70787063
  H     -5.29926656      0.67883444      1.68816175
  H      0.48876014     -0.20231968      0.19703529
  O     -3.63902418     -1.38651102      6.15009036
  H     -3.61146700     -3.80283228      4.24942114
  H      1.79312765     -0.61562484      0.91000379
  O     -3.51663538      1.25554035      7.12674267
  H     -4.16873571     -4.81913392      5.26012768
  H     -1.81440966      3.85728904      5.51391864
  O     -6.02771740      2.10756427      6.07810647
  H     -0.71820240     -1.46860480      1.94235350
  H     -1.44285367      4.00040814      4.02006439
  O     -5.92426035     -0.28828822      4.85587385
  H      0.55853019     -2.00185324      2.64137512
  H      2.57557827      1.38585587      3.01755349
  O     -1.35223016     -0.58660616      0.43383565
  H     -1.88212398     -3.14934606      2.75576834
  H      1.91045644      0.98767202      4.34666170
  O      2.35759873     -1.63883052      2.44110874
  H     -3.17666298     -3.13373206      1.93224548
  H     -3.40279433      1.45308272      3.95025173
  O      2.08683509      2.42058201      1.46396549
  H     -3.84288402     -2.30516732      5.92090966
  H     -2.39626661      0.25171778      4.13956635
  O     -0.30554622      3.08790988      2.77599907
  H     -2.73016519     -1.24215394      5.84936838
  H     -4.38480594     -2.40218671     -0.18880355
  O      1.41339842      0.04721206      0.31949430
  H     -4.38140860      1.61895127      6.90443184
  H     -4.35402661     -1.40962758      0.99656354
  O     -2.11730472      4.22434351      4.67407760
  H     -3.56873897      0.30977267      6.93513467
  H     -5.03773372      2.89635209      4.73093847
  O      2.60809591      0.73317940      3.72805990
  H     -6.08974641      1.23638420      5.64251428
  H     -3.70701272      3.59440434      4.25034632
  O     -2.96107891      0.71505473      3.51244173
  H     -6.85460083      2.25241196      6.52869927
  H     -5.67323281      3.26293156      1.00217457
  O     -3.81127930     -2.02209987      0.47211781
  H     -5.84509854     -0.39413930      3.90267712
  H     -4.91671612      2.82610123      2.27675505
  O     -4.47633947      3.07616922      3.96743114
  H     -5.15821429     -0.72962243      5.25002096
  H     -0.13457610      2.01984089      5.82944603
  O     -5.09335084      2.58984282      1.34804117
  H     -2.14586104     -1.12004896      0.30404858
  H      0.04932807      2.07489061      4.28942835
  O      0.30310866      1.58635092      5.08572868
  H     -1.65428087      0.32228173      0.57210382
  H     -2.43775802      1.44425431      2.03109634
  O     -2.29889010      1.91827275      1.19179772
  H      2.49234272     -0.83106080      2.96918859
  H     -3.16608854      2.27280275      0.97019110
          69
 Energy    -248.49340350695428     
  O     12.94344784      9.47016356    -16.45002010
  H     12.77899809      9.38882996    -15.49286853
  H     19.68200720      6.99928890    -12.11700208
  O     16.58585273      5.67088160    -12.74883915
  H     12.12318846      9.74786394    -16.84845975
  H     16.71491062     10.05783346    -17.44492488
  O     20.54001221     10.07546376    -12.95345640
  H     16.49746439      4.89380241    -13.31262316
  H     18.19100642      9.75554674    -17.15203582
  O     13.72173902      5.16082355    -14.91795854
  H     16.54922304      6.42878712    -13.35423147
  H     17.36818402      7.42476351    -14.99630353
  O     16.29425969     10.53220394     -9.75067826
  H     19.75865956     10.37913266    -12.45613947
  H     15.83180800      7.45578373    -15.32473499
  O     14.55705164      7.02324325    -11.39019729
  H     21.26990665     10.62764953    -12.68660842
  H     12.42009166      8.21683299    -13.52285654
  O     16.42716902     10.23686457    -13.93940082
  H     14.50489217      4.60287023    -14.86032213
  H     13.16682726      9.51120766    -13.13316384
  O     17.65413231      5.22384140    -16.68656096
  H     13.92747117      5.82472039    -15.59202778
  H     12.80835544      5.91865073    -13.66385734
  O     16.48800892      7.84838900     -9.50122344
  H     16.16894824     10.95214331     -8.90427972
  H     11.51222304      5.93780615    -12.81727255
  O     19.13314543      7.18688468    -15.39608117
  H     16.40850850      9.57937069     -9.57975726
  H     19.66704758     10.10105927    -14.64971456
  O     16.25844159      3.81059720    -14.82249124
  H     13.71403122      6.78452152    -11.79508253
  H     18.17702264     10.26085742    -14.98109813
  O     20.21000314      7.24027818    -12.88618223
  H     15.22352993      6.47663968    -11.82930446
  H     18.78493626      5.46160369    -10.41393915
  O     17.47138968      9.53347460    -17.75063254
  H     15.73104217     10.25375106    -13.26827050
  H     17.82512327      5.97616020    -11.51095682
  O     16.49118775      7.62597118    -14.64006554
  H     16.48737923      9.30356723    -14.20170172
  H     17.66578476     10.79824474    -11.03858566
  O     12.58324284      9.12744742    -13.79885476
  H     17.27487569      5.75188268    -17.39836842
  H     17.61846733     10.69293016    -12.57006364
  O     12.32861858      6.40590523    -12.96924640
  H     18.33215802      5.78831573    -16.28840357
  H     16.94353200      7.98346123    -18.29146123
  O     19.02658903     10.02018577    -15.36865147
  H     15.72288733      7.50360971     -9.98096874
  H     16.60498668      7.07929881    -19.49942954
  O     18.45865203      6.25763235    -10.82865377
  H     17.25198518      7.37846299     -9.85716250
  H     14.61611708      8.84603340    -11.75437690
  O     18.21797238     10.84057129    -11.82705583
  H     19.19168814      8.13355108    -15.57400227
  H     15.03287099     10.20070006    -11.14402936
  O     16.55796839      7.12551686    -18.54851978
  H     19.55368147      7.05724499    -14.53175224
  H     15.68532262     10.83379869    -15.60773085
  O     14.58820460      9.80310793    -11.90223925
  H     16.41942231      2.88342240    -14.97520876
  H     14.52326080     10.50334578    -16.55740756
  O     15.40368215     10.89665503    -16.52866206
  H     16.75080823      4.29344962    -15.51083651
  H     13.99375862      7.97113477    -16.67133682
  O     14.55121985      7.18437703    -16.61627880
  H     20.38920063      8.18670226    -12.81436241
  H     15.13422008      7.16467651    -17.38608468
          69
 Ord_Energy   -248.493347    
 O   -4.06164122     -0.769738436       3.97812867    
 H   -4.37877846     -0.869271815       3.06525278    
 H   -4.78949642     -0.363755286       4.46248722    
 O   -3.28461957       3.09290814       2.34320521    
 H   -4.15284729       2.87849784       2.71648145    
 H   -3.26607394       4.04986429       2.22543192    
 O   -7.45360899      -2.53733897       1.68540180    
 H   -7.36816883      -2.76474190      0.745934010    
 H   -7.16982412      -3.30655336       2.19280171    
 O   -8.11270237     -0.122598082       2.93551445    
 H   -8.02960110     -0.982617080       2.50260401    
 H   -8.01518250      0.542770684       2.24197960    
 O   -1.95408940      0.638725638       2.68526793    
 H   -2.55376720      0.123029120       3.23769689    
 H   -2.30566764       1.53954053       2.68544984    
 O   -4.96946239      -1.52555120      -2.32172370    
 H   -4.06695414      -1.64305842      -1.97313905    
 H   -4.90559101      -1.56612957      -3.27231216    
 O   -3.30647492      -3.38509202      0.961499631    
 H   -3.88156533      -2.61339235       1.09451413    
 H   -3.88023877      -4.11096382      0.687240481    
 O   -6.43215847      0.441507071       4.97861624    
 H   -6.90132427      0.450795829       5.80826569    
 H   -7.07803774      0.191109553       4.29191494    
 O   -5.47550869      0.614921749     -0.588872671    
 H   -5.37244034      -4.04419899E-02  -1.28978229    
 H   -4.68973446       1.18049049     -0.581949890    
 O   -7.31385136       4.47116613       1.88350398E-02
 H   -7.85227680       4.92496538     -0.623982668    
 H   -6.39549017       4.51499987     -0.303019017    
 O   -3.24650788       2.21178293     -0.301377475    
 H   -3.28635097       2.51419830      0.618942857    
 H   -2.48946571       1.61574674     -0.346038699    
 O   -5.83509445       2.59338117       3.26305604    
 H   -6.34169006       2.29831386       2.49212909    
 H   -5.99280930       1.94942868       3.96221280    
 O   -3.91135120      -3.57385492       3.73567724    
 H   -3.45519257      -3.59237480       2.88411212    
 H   -3.90828991      -2.64707613       4.01021147    
 O   -6.22698641      -4.76221848       3.00583959    
 H   -6.60534143      -5.25772524       3.72703552    
 H   -5.41587830      -4.34161615       3.34606338    
 O   -6.29368067       5.28674459       2.57588363    
 H   -6.78611851       5.12558937       1.76121116    
 H   -6.20305490       4.42018652       2.99605894    
 O   -5.28175688      -5.36604738      0.443435580    
 H   -5.20798540      -6.30422306      0.285152614    
 H   -5.65695238      -5.26032066       1.33242297    
 O   -6.75663996      -3.26512671     -0.864729881    
 H   -6.17149878      -2.69792986      -1.38114238    
 H   -6.23286629      -4.03156567     -0.601255774    
 O   -7.33345270       1.84101737       1.03414631    
 H   -7.47942972       2.72167253      0.667014658    
 H   -6.75579023       1.37628579      0.410896868    
 O   -1.19860268      0.315303892      0.100941099    
 H  -0.251622319      0.421888202       6.11660592E-02
 H   -1.44094408      0.345423132       1.04448116    
 O   -3.75017691       5.82530165       1.77860582    
 H   -4.65872574       5.73730803       2.12001133    
 H   -3.43214583       6.68009377       2.05497169    
 O   -2.52551007      -1.81658244      -1.20657086    
 H   -2.63410449      -2.46559882     -0.497990131    
 H   -2.03476858      -1.08370209     -0.815015316    
 O   -4.67842150       4.63300657     -0.662793994    
 H   -4.15475702       3.82616520     -0.745253146    
 H   -4.27357817       5.13494635       5.61926514E-02
 O   -4.99778748      -1.22304249       1.44214880    
 H   -5.86465263      -1.63444936       1.55794597    
 H   -5.09454393     -0.548846960      0.759799719    
          69
 Energy    -248.49308681614872     
  O     -2.43534963      5.05163086      2.24026923
  H     -2.67700357      5.95980091      2.39851689
  H      1.21698333      0.70311332      1.37257131
  O     -2.82522758      2.57771978      3.48987768
  H     -1.46009915      5.01106334      2.25045525
  H     -4.40157941     -2.22311221      0.93867811
  O     -0.16309607     -0.64617236      4.65095726
  H     -2.76966818      3.47376062      3.13310656
  H     -3.15172159     -2.93984870      0.38014382
  O     -1.33436262     -3.13915097      0.88442142
  H     -2.36256949      2.00211711      2.86018463
  H      1.06445604     -2.09196815      4.48707397
  O     -0.67739251     -1.26456978     -0.99256841
  H     -0.89338132     -1.03903516      4.14986542
  H      2.50017358     -2.26251903      3.94286069
  O     -3.38575022     -0.75140599     -1.81809386
  H     -0.52190556      0.12907513      5.10007430
  H      1.52066471     -4.88992995      1.82998774
  O     -5.04874080      1.19826265      2.30168093
  H     -1.06926921     -2.51570199      0.18866379
  H      1.29642019     -3.61998482      2.68429471
  O     -3.65231713      1.45691897     -0.12820179
  H     -0.52855830     -3.57629606      1.18392887
  H      2.03935197     -2.54847349      0.89126075
  O     -1.69115907      0.80557204      1.71719428
  H     -0.21534341     -0.50365129     -0.62284532
  H      1.98858257     -1.09066122      0.37664983
  O     -4.92551712     -1.48871699      2.63923122
  H     -1.51064706     -0.94749863     -1.36236890
  H     -1.87747679      2.09589966      4.92005786
  O     -2.15632858     -1.60400239      3.01033056
  H     -3.73735188     -1.02616634     -2.66063518
  H     -1.61888027      2.06135287      6.44370484
  O      0.83365534      0.67043255      0.48201745
  H     -3.67010146     -1.41592963     -1.16432778
  H      0.26366346      2.73826919      4.79840760
  O     -3.99649706     -2.54498878      0.12473380
  H     -4.77581442      1.36110396      1.38800219
  H      1.37463584      2.29824557      3.83553145
  O      1.69089419     -2.74600556      4.15168797
  H     -4.45246843      1.72587737      2.84675089
  H      3.49821621     -1.42873342      2.14061669
  O      1.14852049     -4.01202985      1.80546920
  H     -3.65578350      0.77327064     -0.80904802
  H      4.78763868     -1.21421060      2.97432756
  O      2.58574326     -1.77963772      0.68290364
  H     -2.95805746      1.20307526      0.50067436
  H      1.07224829      0.17980907      3.59663960
  O     -1.25518871      1.79394495      5.60325254
  H     -0.81739575      0.77526219      1.31413628
  H      2.55749228      0.13136075      3.14306239
  O      0.96730882      3.07841309      4.23534861
  H     -1.85044220     -0.05037457      2.13714413
  H      0.53889011      4.20182764      2.91272874
  O      3.83628399     -1.20612643      3.02743580
  H     -5.03187348     -0.52636543      2.53620223
  H      0.48370769      4.25617252      1.36219484
  O      1.74396736      0.64596576      3.07719990
  H     -5.69310879     -1.80204562      3.10996506
  H     -2.37139965      4.28332118      0.47682875
  O      0.22681618      4.72813427      2.16066713
  H     -3.12156567     -1.62116010      3.01370281
  H     -2.76884374      3.06169463     -0.38099748
  O     -2.15405039      3.80581144     -0.33284755
  H     -1.85706595     -2.20217466      2.30950958
  H     -0.45145512      3.46521548     -0.41334661
  O      0.50602188      3.28916216     -0.36593434
  H      0.81756370      1.57392736      0.13539027
  H      0.90868942      3.77626298     -1.08053589
          69
 Energy    -248.49302896467583     
  O     13.70972933     10.94732338    -16.15490490
  H     14.49141699     11.49753163    -15.99225977
  H     14.55849201      6.58549380    -14.88375395
  O     17.60777470      5.91391558    -12.38619022
  H     13.33004213     10.81431012    -15.27301857
  H     18.80247743      9.72662532    -15.37926503
  O     19.03213731     10.43794681    -12.12527938
  H     17.68879562      6.66528348    -11.77750953
  H     19.12575078      8.40279426    -14.64893100
  O     17.87356643     10.41041704    -16.86924950
  H     16.69840504      5.60267620    -12.34937549
  H     14.88708766      9.74909778    -16.91390130
  O     14.81948140      5.03237722    -12.43102823
  H     19.87450857     10.81256291    -11.88258245
  H     14.93506830      8.34224777    -17.56308974
  O     14.63140855     11.27519498    -10.37804094
  H     19.13841316     10.06475017    -13.01937872
  H     15.56054148      8.48187689    -13.65792087
  O     14.24170758      7.29953386    -10.89621476
  H     18.27379701     10.72969770    -17.67498965
  H     14.93151149      8.41507302    -12.22854726
  O     12.91760311     10.40740944    -13.60260357
  H     17.08055575      9.91558787    -17.13258694
  H     12.38407208      9.86518830    -16.83457399
  O     13.61659762      7.07848021    -17.55422711
  H     14.39350168      5.31227519    -13.25824039
  H     11.09361365      9.58226906    -17.62951884
  O     15.63614520      8.89404079     -9.18522156
  H     14.61069523      4.10847973    -12.31552488
  H     18.28572350      8.93971196    -11.21066401
  O     16.05949842      7.52529313    -15.07392408
  H     15.02610346     10.53342130     -9.90231154
  H     17.20692297      8.47978141    -10.20676376
  O     13.73728463      6.08779557    -14.74240967
  H     15.25416546     11.50781781    -11.07832083
  H     11.48276272      7.94753915    -12.41198013
  O     19.22463375      9.36134469    -14.59259565
  H     13.30396956      7.50171306    -11.03910279
  H     11.67939070      9.00309628    -11.29346679
  O     15.48735320      9.08998545    -17.29162058
  H     14.42700042      6.44919841    -11.31173568
  H     16.79490401     11.65161777    -15.78303440
  O     15.16413201      9.00865220    -12.95167516
  H     13.74075169      9.95078379    -13.36454970
  H     16.19931078     11.98294919    -14.39660369
  O     11.73848574      9.17442159    -17.05628949
  H     12.53171633     10.73160567    -12.78122059
  H     19.17903800      5.87536100    -15.10721606
  O     17.88268340      8.15839989    -10.81371122
  H     12.87831342      7.69722395    -17.47345279
  H     18.35528524      6.29667541    -13.86291862
  O     11.68296157      8.05395137    -11.47476873
  H     13.58882834      6.53215178    -16.76148189
  H     17.36419763     11.23899462    -12.37011224
  O     16.05972943     12.09515223    -15.34618448
  H     15.10969319      8.26837101     -9.71334604
  H     16.03154754     10.54690157    -12.70832774
  O     18.66407393      6.58874199    -14.74185824
  H     15.57212911      8.60867267     -8.27704654
  H     11.48625178     11.53297262    -10.56979885
  O     16.43934392     11.41811276    -12.58136451
  H     16.96063890      7.18232458    -15.05357120
  H     12.94887970     11.05579239    -10.73307463
  O     12.03030939     10.88820991    -11.01330432
  H     15.95595379      8.07721656    -15.85932875
  H     12.13521819      8.87035458    -14.05757640
  O     11.73221920      8.05244902    -14.38838200
  H     13.03699668      6.73016459    -14.56148132
  H     11.48791637      8.26406986    -15.29563490
          69
 Energy    -248.49302035105680     
  O     15.74387510      9.56321489    -16.14471262
  H     16.44124588      9.24068452    -15.55359267
  H     16.58924873     10.39602489    -17.45025589
  O     14.83961859     12.92670877    -15.29820514
  H     15.06827523      9.91438870    -15.55658100
  H     15.89913660     12.19071812    -11.69727544
  O     19.49262835      9.81681248    -11.18434222
  H     14.25422305     12.25356113    -14.93596994
  H     14.69006365     11.80469531    -10.82432196
  O     19.95901880     12.50137854    -11.92129205
  H     15.73038679     12.62548534    -15.06256150
  H     19.12543597     16.24966238    -12.91915919
  O     16.83216134      9.16296970    -11.65080328
  H     19.68452592     10.76128984    -11.24756366
  H     20.45865137     16.58352832    -13.61313576
  O     17.68633367      9.16364119    -14.23387164
  H     19.90287959      9.43281546    -11.96830124
  H     20.30770835     11.92761917    -15.29707105
  O     15.63802567     13.30983484    -17.94803846
  H     20.54875437     13.21712926    -11.65249663
  H     21.50214033     12.49434464    -14.46603270
  O     18.86483045     15.03809007    -16.19741742
  H     20.20836449     12.25779937    -12.82283220
  H     16.23641036     14.92193292    -17.80341184
  O     21.60939793     14.70670391    -11.46590705
  H     17.72096962      9.38608392    -11.33142366
  H     16.33321295     16.37849463    -18.31808117
  O     18.95714556     12.29059378    -16.51802594
  H     16.27640055      9.93241266    -11.49237514
  H     20.35342928     15.85755921    -15.73780306
  O     13.93830635     10.61198878    -13.99474592
  H     17.32856693      9.04141087    -13.33993301
  H     21.47277248     16.88809356    -16.01749520
  O     17.10016352     10.86529219    -18.13373952
  H     18.64163500      9.04989398    -14.17749203
  H     16.71260156     15.64952812    -13.97823516
  O     15.17517132     11.54899942    -11.60588301
  H     15.21302106     13.15308912    -17.09286976
  H     18.10044817     15.20654681    -14.45894533
  O     20.04157883     16.50286853    -12.74581384
  H     16.13345371     12.50607870    -18.14150303
  H     22.30497153     14.21992113    -13.20677768
  O     20.86704618     11.76483431    -14.52690900
  H     18.11966031     15.37743060    -16.71076116
  H     22.07597541     14.76967433    -14.62303776
  O     16.57289344     15.81190844    -17.59003365
  H     18.95209202     14.09718483    -16.40303551
  H     20.71604354     10.04582265    -14.09491719
  O     21.15520220     16.26596986    -15.36826609
  H     22.05838992     15.09828569    -10.72211841
  H     21.22449577      8.58679802    -14.08552947
  O     17.59917818     15.42228964    -13.66198354
  H     21.03315501     15.39518629    -11.84503622
  H     17.38919679     10.96946061    -14.32556371
  O     22.39625775     13.99688143    -14.14138282
  H     18.50838535     11.80406766    -17.21801298
  H     17.36677493     12.34317810    -13.57171706
  O     20.48890823      9.13808462    -13.83124906
  H     18.36552329     12.21721188    -15.74913573
  H     14.94769072     14.78948006    -15.04402157
  O     17.29286920     11.92529729    -14.43713024
  H     14.37749613     10.89445995    -13.17773487
  H     15.58402502     15.90623935    -15.88346263
  O     15.23139835     15.71357078    -15.00655401
  H     13.24235664     10.01430319    -13.73076486
  H     17.35002160     14.07519839    -12.47883310
  O     17.31598158     13.23868341    -11.99187791
  H     17.13967945     10.28253729    -18.88761778
  H     18.23278974     12.97991376    -11.81736765
          69
 Energy    -248.49271465225002     
  O     13.39805538     11.34162276    -13.53901569
  H     14.10719333     11.99012026    -13.45454908
  H     12.87425661      6.85239280    -16.14540400
  O     14.76926658      6.21117050    -13.65134527
  H     13.54944031     10.93003122    -14.40334877
  H     19.92153481      5.37418663    -15.05660014
  O     18.49234300      8.23413629    -11.70997257
  H     14.28389505      6.05156303    -14.47667133
  H     19.56992188      6.82100730    -14.62293060
  O     18.72778145     10.08780830    -16.18423765
  H     14.15340662      6.57695926    -13.00308638
  H     15.60045103     11.16894585    -16.23460348
  O     11.78231753      8.41662340    -16.18137062
  H     18.40028189      8.20218409    -10.75001004
  H     16.31809187     12.12029845    -15.26704341
  O     15.23830119      8.73711621     -8.93979188
  H     18.06427172      7.43617269    -12.05521718
  H     15.46968124      7.69044689    -14.36401470
  O     13.19097542      7.49674873    -11.75955378
  H     17.92008034     10.62714850    -16.12948690
  H     16.50133103      8.12026722    -15.44308078
  O     16.87139690     10.13719371    -12.82617042
  H     19.35000377     10.59237731    -16.70306996
  H     16.90128801      5.51598034    -10.94237574
  O     15.43356569      6.53917154    -18.03237129
  H     10.92664188      8.46371496    -16.59922614
  H     17.13754896      6.26001797     -9.61284980
  O     14.03227169      6.17484513     -9.43148240
  H     11.64078732      8.59546320    -15.23433462
  H     12.00886642      8.43659512    -12.90623186
  O     17.69042778      7.52986960    -16.72043079
  H     14.92779290      9.27684355     -9.67842404
  H     12.02508121      9.89872356    -13.41361417
  O     13.51063923      6.13534989    -16.04269783
  H     14.72822493      7.91828319     -8.97814636
  H     19.57008447      8.50672971    -13.22904155
  O     19.19159792      5.97192346    -14.91756219
  H     13.32433154      6.97294186    -10.95981833
  H     19.53159588      9.11383021    -14.66202281
  O     16.44983518     11.59814574    -16.06749319
  H     13.67606663      8.32389923    -11.62146212
  H     17.92697158      5.75497069    -13.48282050
  O     15.90353101      8.45562055    -14.76480032
  H     16.54241301      9.60772808    -13.56946270
  H     16.43374729      5.91837805    -13.07321816
  O     16.61563645      5.55835939    -10.02039230
  H     17.50656874      9.57974306    -12.35930575
  H     16.93109430      8.31001616     -8.93747738
  O     11.60240215      9.04150855    -13.54070108
  H     15.54901284      6.54566277    -18.97942991
  H     18.25574469      8.12059292     -8.15990465
  O     19.95242690      8.44051714    -14.11460722
  H     16.25993057      6.88311466    -17.66161784
  H     15.38911922      9.92645960    -11.78179726
  O     17.34021698      5.88853478    -12.73034712
  H     14.92862927      5.86965928     -9.66014461
  H     13.97121067     10.45237753    -11.99964827
  O     17.84047827      7.96696452     -9.00407378
  H     13.65453249      5.51404714     -8.85752466
  H     16.35525765     13.33495462    -12.91699203
  O     14.50343158      9.92131014    -11.39372213
  H     18.12790609      8.39035215    -16.66680418
  H     16.36640711     11.80890334    -13.16739242
  O     15.96336744     12.64852962    -13.45067847
  H     18.20744688      6.90560398    -16.19390567
  H     14.66962485      9.46561104    -15.57061104
  O     14.04845299     10.09664297    -15.96700454
  H     14.13742387      6.22191240    -16.77490071
  H     13.27974685      9.58109548    -16.23674566
          69
 Energy    -248.49255365612555     
  O     10.98595551     11.28359494    -15.78654154
  H     11.21542612     11.64962082    -14.92248962
  H     17.10856391      9.75282425    -16.11199142
  O     12.81179790     14.74725566    -15.45858106
  H     11.65287596     10.60706403    -15.96704869
  H     16.02078824     16.63994269     -9.02800613
  O     14.51359432     11.60333252    -14.69723744
  H     13.64595278     14.43249392    -15.82856711
  H     16.05939215     16.79543228    -10.56722122
  O     16.74289645     10.65505620    -13.22108327
  H     12.13735923     14.48276745    -16.09748924
  H     15.91622257     14.11364399    -15.96957621
  O     12.20079819     12.63416654    -13.60920875
  H     14.12187236     10.88302538    -15.21167914
  H     15.02059352     12.84438891    -15.80370827
  O     14.33565987     10.16880398    -18.72734762
  H     15.24302529     11.25214759    -14.17512322
  H     13.67726248     15.51038822    -13.99021478
  O     11.11883373     13.49540803    -17.33176537
  H     17.07607765     10.08030558    -13.92269457
  H     14.38550638     15.07172709    -12.65645269
  O     15.04309879     13.98547624    -11.24552705
  H     16.17730284     10.12375714    -12.64370126
  H     17.24603243     12.32682491    -12.83960274
  O     15.90767074     17.70313369    -12.06939720
  H     12.19251714     13.47685126    -14.07533336
  H     17.19742320     13.77599625    -13.43385956
  O     16.72949285     15.11325244    -14.67234015
  H     13.03508398     12.22546000    -13.89414461
  H     13.66875041      8.94090462    -15.67959255
  O     18.38018598     17.00582066    -13.40278405
  H     14.20942993      9.81197660    -19.60204607
  H     13.59117864      9.66099069    -17.07555265
  O     17.31996201      9.08469293    -15.43612273
  H     14.01090722     11.08824422    -18.74526617
  H     14.68458387      8.72785992    -11.09330805
  O     16.18268899     16.16251390     -9.83703046
  H     11.00877699     12.67201757    -16.82154731
  H     14.25036622     10.09721595    -11.65969333
  O     15.30410188     13.52785452    -16.43480093
  H     10.27257964     13.69512972    -17.72216312
  H     16.39790923     11.87964739    -17.07806545
  O     14.36177570     15.74391576    -13.35198693
  H     15.33174609     14.66551811    -10.62427655
  H     15.92216803     10.64058775    -17.85393722
  O     17.35174038     13.26412901    -12.62880821
  H     15.84465875     13.67214532    -11.68981430
  H     14.68545890      8.42315733    -13.62647680
  O     13.21635549      9.63146592    -16.18711090
  H     16.72899356     17.64466093    -12.57210366
  H     15.65339844      8.30616608    -14.82751305
  O     14.74636821      9.28418366    -11.86547085
  H     15.25840099     17.18114635    -12.56177123
  H     12.71642065     13.02779714    -18.22971908
  O     16.62655504     10.96704128    -17.27749580
  H     17.38012595     15.78080574    -14.42221911
  H     14.22784392     13.14020629    -17.92787464
  O     14.75746858      8.10010088    -14.53293611
  H     15.90350856     15.37107058    -14.23461230
  H     18.28891481     14.52420486    -11.63070348
  O     13.58792375     12.75250620    -18.53948854
  H     18.54872260     16.45300120    -12.61825971
  H     17.87362271     15.60657326    -10.61636159
  O     18.56976441     15.36356571    -11.23884179
  H     19.17233431     17.51239108    -13.55907353
  H     14.02694647     12.41968015    -11.15683751
  O     13.49305973     11.63435204    -11.33679781
  H     18.08551846      8.60971193    -15.74827421
  H     12.82863758     11.93225817    -11.97123849
          69
 Energy    -248.49254412728820     
  O     18.34553787     11.46833314    -16.86670893
  H     18.00113971     10.66288458    -16.44734991
  H     15.77857573      7.14598643    -17.43425815
  O     14.75303706      6.32453933    -14.14200978
  H     17.58668157     11.96114044    -17.20246752
  H     17.13504736      7.05638751    -12.06226721
  O     17.30681980     13.06818672    -11.59686333
  H     14.12166829      5.60938016    -14.15843363
  H     16.33832476      6.17163193    -13.05060648
  O     20.98131753      8.01945769    -14.27609413
  H     15.05619441      6.44392587    -15.05892928
  H     17.57561435      8.26680079    -15.79187969
  O     16.24198722      8.33045652    -18.90379568
  H     17.80040241     12.93404979    -12.41515337
  H     16.45376972      9.31966034    -15.47757792
  O     14.16271619     11.11601680    -11.24316620
  H     16.43367053     13.38828879    -11.85541770
  H     15.87598741     13.82407952    -17.81340582
  O     14.59108015      8.77727180    -12.77999195
  H     20.58805354      7.17978103    -14.00447023
  H     15.79853366     12.95730501    -16.53430691
  O     18.40702906     12.28534590    -14.12728405
  H     20.96521382      8.01679783    -15.24074804
  H     17.01455107      9.51000680    -10.89730158
  O     19.50696266      5.63005069    -13.65670199
  H     15.69622441      9.08701226    -18.62436540
  H     17.83019821      9.14888592    -12.16606953
  O     14.77885024     10.07622224    -15.20870887
  H     15.93526859      8.08141487    -19.77248249
  H     14.59229239     10.19020109    -17.03945469
  O     18.42433540      6.50564455    -16.09207344
  H     14.12076502     10.29585107    -11.75124247
  H     15.10583003     11.28928993    -17.98121277
  O     15.76444382      6.57439546    -16.65915989
  H     14.92555697     11.02902565    -10.65718867
  H     16.96805143     11.24452670     -9.00327538
  O     17.13867043      6.20154082    -12.51413670
  H     15.47565273      8.81228516    -12.38541174
  H     16.99463040     11.76326594    -10.46103623
  O     17.40682608      9.18388182    -15.55035020
  H     14.51052436      7.90612235    -13.18896586
  H     18.39821371      9.50625746    -14.13705809
  O     15.97125559     12.93148598    -17.49104946
  H     18.60508983     12.21475950    -15.06949273
  H     19.80621931      9.20812603    -13.58249891
  O     17.11210553      8.84634563    -11.58994781
  H     18.69798687     11.44308516    -13.74526309
  H     14.34079881     12.66850264    -11.99278445
  O     14.76136803     10.38885581    -17.97166926
  H     19.82865860      4.79074916    -13.33939900
  H     13.92798890     14.15773188    -12.09468146
  O     16.68914164     11.03544108     -9.89059659
  H     18.67627252      5.80947133    -13.18014096
  H     20.11379069      8.35287313    -17.71520478
  O     18.99425472      9.69837568    -13.39512634
  H     14.59866621      9.64796030    -14.36206616
  H     21.40007193      7.49951234    -17.73141317
  O     14.57283310     13.52462485    -12.39708307
  H     15.04124745     10.98610671    -15.01242413
  H     16.63167962     12.53234972    -14.49992396
  O     20.67423427      7.76848963    -17.17442561
  H     19.19501040      6.85145481    -16.55976995
  H     15.24448189     13.05185450    -14.01446027
  O     15.71473012     12.68243709    -14.77228746
  H     18.75885327      6.12938765    -15.26837720
  H     18.05597503      8.95143199    -18.71662168
  O     18.94728763      9.30131821    -18.59316868
  H     16.69431830      6.34400547    -16.50902716
  H     18.84534058     10.15447142    -18.15228111
          69
 Energy    -248.49248113761251     
  O      1.46066387      2.17846995      2.71003685
  H      0.76918281      2.45951037      3.32009620
  H     -5.24549978      0.93743101      2.95620796
  O      0.88696377      2.99907099     -0.01248268
  H      1.22756147      2.49567949      1.82912630
  H     -3.11808726     -0.34770443      0.06733351
  O     -1.14556592     -1.46223748      4.43552946
  H      1.33059010      3.75916676     -0.38102634
  H     -3.17320777     -1.70218280      0.85220046
  O      0.34378917     -3.97417245     -2.34249391
  H     -0.06282908      3.11635337     -0.19403820
  H     -1.55935623     -3.89418590     -2.06328902
  O     -2.66602290     -1.36934963     -3.42025950
  H     -1.55134092     -2.31399475      4.23266135
  H     -2.58935260     -3.60931095     -0.95042284
  O      0.20848842     -1.44345929     -3.31032252
  H     -1.05847701     -0.98565443      3.59674483
  H     -1.80616908     -0.39274990      1.60403172
  O     -2.20145468      2.59694930      2.22234590
  H      0.83633242     -4.54130729     -2.92933015
  H     -1.17178107      0.91036529      2.11039277
  O     -2.22753079      0.40305688     -1.31506253
  H      0.38016652     -3.07663068     -2.71895662
  H      0.47601336     -3.76361972     -0.50918624
  O      0.60039305      0.44186797     -1.24849875
  H     -2.68160308     -2.18850290     -2.89265210
  H      0.79147010     -2.69578512      0.58419307
  O      0.49973808     -4.47299266      3.09639135
  H     -3.28491741     -1.48797665     -4.13523032
  H      2.08482414     -1.52763620      4.00055918
  O     -2.09365829     -4.03075577      3.64452593
  H      0.44659120     -0.73221603     -2.70074455
  H      0.70438123     -1.91296241      4.56567753
  O     -4.29593010      0.84451436      2.94989684
  H     -0.73102368     -1.33198397     -3.50108851
  H      2.01558849     -0.81416692      1.57130492
  O     -3.43575790     -0.77065369      0.87936612
  H     -1.73935536      2.87844265      3.02190016
  H      0.49343685     -0.67140438      1.35533136
  O     -2.47105003     -3.61520082     -1.90792101
  H     -2.99094734      2.11381490      2.49929385
  H     -0.57471594      3.48390487      5.25365655
  O     -1.01417489     -0.03617344      2.02719035
  H     -2.46507288     -0.10924765     -2.09843342
  H     -1.25090939      2.15070933      4.85836066
  O      0.37414185     -3.55548858      0.42693736
  H     -1.26201192      0.37864941     -1.25144718
  H     -1.97565095      0.01671776      5.12176649
  O      1.59013489     -2.25696313      4.38962332
  H      0.93813695     -0.13538959     -0.54800778
  H     -3.14543170      0.83519037      4.55694617
  O      1.30378491     -1.02886876      0.95748618
  H      0.78977815      1.34017541     -0.95441274
  H      2.42987425      0.74450905      2.95243184
  O     -0.67605324      2.86719149      4.53350206
  H      1.00426492     -3.78138686      3.55047331
  H      3.84040773      0.14937201      3.17309336
  O     -2.41375634      0.87810317      5.18300367
  H      0.57933736     -4.29520966      2.15060648
  H     -1.39908153     -3.35804086      0.73527008
  O      2.93123062     -0.08832466      3.01249381
  H     -1.16135508     -4.27690434      3.48978537
  H     -2.44058334     -3.61554729      1.83892446
  O     -2.34676003     -3.30147852      0.93129717
  H     -2.46746144     -4.70580560      4.20394442
  H     -2.02467998      3.00942528      0.48368484
  O     -1.78243325      3.07913387     -0.45245212
  H     -4.08365972      0.22160037      2.23453120
  H     -2.08882605      2.26155993     -0.86373250
          69
 Energy    -248.49247243701842     
  O     19.48005449      9.87255089     -7.27310222
  H     19.81115058     10.44713260     -6.58779390
  H     20.51787415     10.55111406    -10.38540858
  O     17.69203399      5.24438258    -10.02804110
  H     20.02448350     10.03642255     -8.06399935
  H     16.13595949     10.57813706    -12.18486372
  O     18.12924605      6.02419639    -13.63042581
  H     17.05900600      5.09813103    -10.73902898
  H     15.13709558     10.45915349    -13.36537261
  O     18.23829266      8.75770745    -13.08700293
  H     17.99186567      6.16141776    -10.12680906
  H     19.90398187      5.76421074    -12.66367599
  O     15.88304601      5.29824252    -12.16403212
  H     18.22032741      5.49070095    -14.41731641
  H     20.98647377      6.31003501    -11.70338376
  O     21.28658684      5.67755705     -8.06117043
  H     17.34482224      5.69400078    -13.16358345
  H     13.24670227      6.88262156    -11.07353410
  O     14.29329024      4.60373562     -8.11302976
  H     17.33824227      9.10820503    -13.13175236
  H     12.86077937      5.41383275    -10.84625372
  O     21.14258916      7.51946884    -10.19620082
  H     18.22184628      7.84783450    -13.41276754
  H     15.76866714      7.27241069     -8.12590383
  O     18.39697969      7.88713620    -10.42020469
  H     15.24405353      4.67054141    -11.80293540
  H     14.31495558      7.79474773     -8.25716991
  O     19.10343299      7.04821908     -6.80656949
  H     15.56707376      6.17773442    -11.90295311
  H     15.11974989      8.52663250    -11.76017688
  O     17.18666091      9.89473799     -8.86052143
  H     20.92941289      5.01705245     -8.68250526
  H     15.10456678      7.86818746    -10.33850265
  O     20.89843707     10.21092229     -9.56813904
  H     22.01155844      5.25936153     -7.60465194
  H     19.32142456     10.13439637    -12.52906947
  O     15.70102919      9.94931026    -12.79032675
  H     13.67205458      5.32613394     -7.96231341
  H     20.28451085     11.31118630    -12.78605092
  O     20.76152940      5.56394519    -12.27549763
  H     15.14102292      4.91313159     -7.76686222
  H     17.51538748      6.26571689     -7.12751725
  O     12.52605233      6.31529484    -10.76541421
  H     21.31731823      6.93212019     -9.44947602
  H     17.05292919      5.52230835     -8.39542896
  O     15.23138506      7.99819615     -8.47833605
  H     20.18187119      7.65125775    -10.21718758
  H     11.78661929      7.17930505     -7.73266193
  O     14.90961150      7.72103505    -11.27408384
  H     18.30956092      8.18358203    -11.33427462
  H     12.46827448      6.75884219     -9.05797515
  O     19.73046796     10.91285233    -12.11828346
  H     18.01274025      8.57445380     -9.86234399
  H     17.10653672     11.03836980    -10.25527373
  O     16.73745742      5.87210077     -7.54816241
  H     19.86356771      6.58128988     -7.17569375
  H     18.03232613     11.49341177    -11.40569845
  O     12.63020874      6.96245111     -8.11957679
  H     19.27879894      7.98870973     -6.92215634
  H     20.52745996      4.40908886    -10.80740572
  O     17.11401301     11.49331353    -11.11085666
  H     17.86041256      9.92386633     -8.16915933
  H     19.28845168      4.30303029     -9.91769679
  O     20.22497449      4.06528345     -9.95514317
  H     16.45553121      9.33066874     -8.57207189
  H     14.14578819      4.04473796     -9.76960734
  O     13.98913697      3.82561997    -10.70598044
  H     21.19623028      9.31469087     -9.78161442
  H     13.67991188      2.92379229    -10.72524409
          69
 Energy    -248.49206864301811     
  O     12.14642127     11.50244307    -14.46881986
  H     12.76372793     12.18862596    -14.19237604
  H     15.42005532     12.94561997    -16.76142428
  O     15.66147362      6.96497524    -13.67685564
  H     12.53736898     11.06657109    -15.23900756
  H     14.53934505      9.73812277    -14.93284736
  O     17.53812973     10.30664675    -11.37079813
  H     16.50062519      7.13987624    -13.22910750
  H     15.32329191      8.70654018    -14.06214366
  O     17.41122093     10.84532982    -15.39867878
  H     14.99058686      6.80893871    -13.00022548
  H     10.17062084      9.93537113    -12.59870388
  O     12.85850412      7.23288108    -16.52891709
  H     17.53214758     10.01212634    -10.45144531
  H     11.44269722     10.39323497    -13.35170142
  O     14.70006892      8.50072859     -8.69662026
  H     16.66812328     10.69183124    -11.54762939
  H     17.85865351      6.91695734    -10.96527442
  O     13.70358252      6.78374914    -11.74387350
  H     16.67570707     10.40297794    -14.94437298
  H     17.63105941      7.51243511     -9.56495239
  O     15.01315070     11.23011799    -12.06255380
  H     18.05138834     11.12584933    -14.72748779
  H     12.53928489      6.94036759    -13.22012474
  O     15.08195712      5.77586759     -9.53220034
  H     12.55802105      7.19643987    -15.60265843
  H     11.62545905      8.11322041    -13.60068203
  O     18.37348836      8.10321714    -15.36064612
  H     12.23948440      6.71523005    -17.03695391
  H     20.02426660     11.39387235    -13.14185282
  O     15.74746329      7.12878597    -16.43341102
  H     14.71483218      7.54890049     -8.85671342
  H     18.62654245     11.11436522    -12.56017520
  O     15.68865852     13.02169491    -15.84748032
  H     14.09341023      8.87411275     -9.34938137
  H     18.34554532      7.88132214    -13.52968376
  O     15.19639625      9.64857914    -14.23171998
  H     14.09501497      6.31133306    -10.99889990
  H     17.91369285      8.68274733    -12.25878668
  O     11.09102876      9.72637763    -12.73454793
  H     13.56804176      7.69699981    -11.45231397
  H     16.35324754      9.04920018     -8.71144781
  O     17.57820334      6.69085808    -10.06858947
  H     15.04087636     10.63443834    -12.83116657
  H     17.59668698      9.53288105     -7.92736440
  O     12.02807543      7.30958662    -13.95115780
  H     14.73386776     12.08370999    -12.41147066
  H     16.58533275     10.18542624    -17.04194074
  O     19.09290356     11.45629941    -13.33952492
  H     15.11865860      4.94909346     -9.05940774
  H     15.93774306      8.81583362    -17.29479238
  O     18.07494556      7.79456507    -12.60422366
  H     16.00073553      6.01947750     -9.74668911
  H     13.84400640     10.10356906    -11.23093609
  O     17.30294345      9.25266783     -8.78993814
  H     17.68676531      7.66047253    -15.87107418
  H     12.41646946      9.54590408    -11.43191304
  O     15.92622698      9.73957011    -17.58596340
  H     18.22748711      9.04609393    -15.49938610
  H     14.70619621     13.32409275    -14.41317745
  O     13.22709002      9.42582274    -10.92111526
  H     14.80987857      7.05628532    -16.65052965
  H     14.00592793     14.34398836    -13.48763783
  O     14.13748762     13.40985572    -13.62863662
  H     15.77426731      6.93943710    -15.48294213
  H     13.11339332      9.07518423    -16.52543885
  O     13.44523012      9.97658076    -16.41845956
  H     16.37853818     12.35493303    -15.71994693
  H     14.25327672     10.02968115    -16.95022076
          69
 Ord_Energy   -248.491898    
 O    1.21380639       2.58548546       4.71310711    
 H    1.91048884       3.00627494       4.19641685    
 H    1.41487539       1.64040399       4.70340395    
 O  -0.763257980      -4.32685852      0.562193990    
 H   -1.24669695      -5.09853649      0.280010551    
 H   -9.15432870E-02  -4.14754295     -0.120873861    
 O    3.38800573       3.45247459       2.94452453    
 H    4.17305279       3.89397097       3.26053286    
 H    3.62901258       2.52227831       2.80401015    
 O    1.14613652      -3.51862717      -1.18027532    
 H   0.887932062      -2.68783903      -1.59867227    
 H    1.83094001      -3.28639460     -0.537248671    
 O   0.389466971     -0.806801140      -1.70325053    
 H    1.13662148     -0.529401720      -1.15541363    
 H   0.136401415      -2.75267605E-02  -2.21271038    
 O   -1.34854233      -1.53318715      0.376556545    
 H  -0.802807927      -1.26331842     -0.374187589    
 H   -1.30593991      -2.49542856      0.422895163    
 O    1.65231752       3.98592234      0.753953457    
 H    2.02101016       3.60451150      -5.71451895E-02
 H    2.31963563       3.93215632       1.44918430    
 O  -0.181392297       1.75605941      -2.72334599    
 H  -0.528738856       2.14175820      -3.52354288    
 H  -0.770337045       2.03088260      -1.99968565    
 O   0.590083241      -3.42229533       2.87459302    
 H   0.114449501      -3.90971637       2.19055295    
 H    6.93623498E-02  -2.62291503       3.04718447    
 O   -1.14250827       2.70834422       3.30622816    
 H   -1.79391038       2.06718230       3.60933638    
 H  -0.404887825       2.72993231       3.93512630    
 O    2.60641503      -2.57822251       1.03960359    
 H    1.91579175      -2.85672522       1.65334809    
 H    3.41763902      -2.49261212       1.56080627    
 O   -1.59627807       2.34253907     -0.457266837    
 H  -0.938762784       1.87424862       7.75914118E-02
 H   -1.61804307       3.22981691      -6.86048195E-02
 O    2.33096671       1.38531104E-02  0.159063295    
 H    1.60888445      0.454676837      0.640821993    
 H    2.41703916     -0.897237182      0.476451457    
 O   -3.23057652      0.481629431      0.942352295    
 H   -2.88739228       1.20960796      0.409824222    
 H   -2.72850060     -0.296690106      0.665111959    
 O    3.73677325      0.738055885       2.53765011    
 H    3.44370794      0.563053012       1.63518715    
 H    3.01364636      0.444701344       3.11470532    
 O   -1.13830924       4.54574490       1.10872865    
 H  -0.183880717       4.58690739      0.961797535    
 H   -1.24494386       4.05628252       1.93631208    
 O    2.53878474      -2.81749582       4.76141691    
 H    2.56923056      -3.39685607       5.51903486    
 H    1.87300336      -3.18334913       4.15634346    
 O    4.59135771      -2.02832651       2.86403751    
 H    4.54838037      -1.06449139       2.84674430    
 H    4.05658770      -2.30776715       3.61766458    
 O  -0.717124581     -0.997317672       3.04639411    
 H  -0.862790287      -1.05199039       2.09064651    
 H   -1.48805690     -0.547456861       3.41286039    
 O   0.421711385       1.54885674       1.31173956    
 H   0.855036497       2.38424110       1.07720864    
 H  -0.142771333       1.76738405       2.06399298    
 O    1.69160092     -0.166497618       4.19501686    
 H   0.849465311     -0.360975593       3.75966048    
 H    2.00835013      -1.00005496       4.56189442    
 O    2.34437656       2.42708135      -1.42393470    
 H    1.55997539       2.26687121      -1.96266949    
 H    2.55320430       1.58140123      -1.00946569    
 O   -2.96966553      0.558227122       3.63963008    
 H   -3.16366053      0.571737587       2.68375921    
 H   -3.80653596      0.502255261       4.09211016    
          69
 Energy    -248.49169213209757     
  O      2.00284241      0.17386442      4.80184163
  H      2.65346072      0.11119966      5.49633272
  H     -4.10735134     -1.55611392      4.10082435
  O      1.09932209     -0.68574939     -2.90944648
  H      1.21625026     -0.31552057      5.10409053
  H     -3.03229290      3.20282998      0.38075039
  O     -0.33881992     -1.08551186      5.32076341
  H      1.08277350     -1.60465696     -2.61348406
  H     -1.93133396      3.54867555      1.39354221
  O     -0.91570982      0.38013304     -1.16819170
  H      0.32537754     -0.26922636     -2.50945018
  H     -0.03068390      2.81684789      2.71546772
  O      1.16398151     -3.22059869     -1.54619995
  H     -1.03400991     -0.41556916      5.35714675
  H      0.40097836      2.41758861      1.26411832
  O      3.04252336     -2.00473839     -0.01740965
  H     -0.51663425     -1.59066533      4.51986563
  H     -2.35633130      1.44474095     -1.20774173
  O     -4.17523838      2.85671006      3.54328249
  H     -1.09743237     -0.51658970     -0.85270969
  H     -3.38578833      2.26428308     -2.01796141
  O     -3.38604770     -3.09265589      3.12623659
  H     -0.17602896      0.70882140     -0.63847962
  H     -1.31589821      1.30337624      1.92937337
  O      0.20981594      2.41367215      4.44880969
  H      1.87213378     -2.86219955     -0.98115465
  H     -2.61062627      0.44627707      1.68786819
  O      3.23079121      0.38703459     -1.59380396
  H      1.45721650     -4.07470526     -1.85166499
  H     -0.37390690     -2.69186744     -0.68974041
  O     -5.92204428      0.95869429      2.81445111
  H      2.70005146     -1.70198904      0.83403089
  H     -0.93368132     -2.28014388      0.70341419
  O     -4.39061150     -0.76217906      4.56877194
  H      3.28600919     -1.20910844     -0.50702695
  H      1.95068221     -0.52831034      3.07998109
  O     -2.88057734      3.63958391      1.22526271
  H     -3.49646845      2.47704325      4.10793143
  H      0.89994215     -1.42037500      2.37396973
  O     -0.29297451      2.84403370      1.78250166
  H     -3.73069503      3.20875408      2.75600788
  H     -2.05532402      0.84771124      3.90548489
  O     -3.16981868      1.97242456     -1.13590606
  H     -3.72326456     -3.94747786      3.38143022
  H     -3.05848405      0.40103679      4.97030788
  O     -1.76814448      0.48219571      2.15924477
  H     -3.63508048     -2.95516795      2.19397863
  H      2.05719119      1.02642548     -0.28690499
  O     -1.11553675     -2.26205903     -0.24410403
  H      0.88914190      1.74441670      4.59452893
  H      1.46073635      0.43718657      1.01758485
  O      1.71625334     -0.92491216      2.23076592
  H     -0.60559251      2.05362074      4.81710764
  H     -1.66058206     -2.51613488      2.83702420
  O     -2.27499526      0.95847123      4.84411934
  H      2.52432301      0.04098343     -2.16834296
  H     -1.15637332     -1.09927076      2.44964471
  O      1.33984298      1.12715802      0.35019687
  H      3.87581268      0.79855606     -2.16209492
  H     -4.05982523     -1.58889468      0.54413789
  O     -0.86569710     -2.01590192      2.60747989
  H     -5.36245443      1.70305547      3.10640724
  H     -2.96934585     -2.56592943      0.07313669
  O     -3.82222578     -2.52775372      0.52391268
  H     -6.82783549      1.22764402      2.93767819
  H     -4.04615819      0.86534966      0.08801536
  O     -4.19133642      0.20542257      0.77709991
  H     -5.00593058     -0.30224565      3.98465881
  H     -4.87659925      0.51847555      1.38266278
          69
 Energy    -248.49162731099256     
  O     13.55350622     11.36314499     -8.41663156
  H     13.56134700     11.15635265     -7.48575350
  H     15.34198365     13.31832782    -16.27971091
  O     11.48964721     11.18833848    -15.16859501
  H     13.80105339     10.54341333     -8.88488349
  H     13.37452865     14.55408882    -11.35786521
  O     14.05590484      9.13113044     -9.82626323
  H     11.86190595     11.49253413    -16.00456758
  H     13.43847290     13.22414532    -12.14387957
  O     18.34728391     13.09650767    -13.26886581
  H     11.30112819     11.97948455    -14.64342064
  H     11.62025362     14.35353717    -15.09518143
  O     11.52917881     11.93119612    -10.26035166
  H     14.84844771      9.00726926    -10.36863548
  H     12.26775007     13.93706137    -16.43307532
  O     11.87321980      9.42772130    -11.59944290
  H     13.30108179      8.99376512    -10.41084611
  H     15.32434219     11.98689367    -12.42381996
  O     13.44704290      9.76172782    -13.84405726
  H     19.29458950     13.08962684    -13.37843481
  H     14.18867409     11.31803893    -13.25974590
  O     14.81774268     15.52703516    -10.71902337
  H     17.98373284     12.49661004    -13.94452015
  H     16.68760091     11.71783476    -15.81518290
  O      9.74434151      9.79160589    -13.33566981
  H     12.10390652     11.73821387     -9.50874894
  H     16.88893326     10.53607137    -14.84704761
  O     14.81091655     14.16885061    -14.86361422
  H     11.96196924     12.65380301    -10.73904922
  H     13.73274586     12.35522379    -17.34970936
  O     10.84891081     13.45460017    -13.62355853
  H     11.79146917     10.27357447    -11.13929030
  H     12.59114132     12.13640433    -18.36522151
  O     15.52138719     12.73494215    -17.04001039
  H     11.08857973      9.35660998    -12.16174129
  H     16.54763790      9.93452791    -11.38732941
  O     12.82574063     13.86063753    -11.74101440
  H     13.00012447      9.53094365    -13.01738468
  H     16.26350000      8.86228059    -12.44582845
  O     12.25373416     14.63555785    -15.76869653
  H     12.78350661     10.19068617    -14.40160224
  H     16.00513403      8.09791153    -14.84132437
  O     14.54709694     12.16480961    -12.97041880
  H     15.44438788     15.44707865    -11.46087898
  H     15.05851128      9.16695435    -14.25070708
  O     17.25292153     11.39231252    -15.10741700
  H     14.89956516     16.41708288    -10.38751231
  H     16.49179701     12.24193199    -10.60994498
  O     12.76971382     12.28898827    -17.43989918
  H      9.39404451     10.55009221    -12.85174997
  H     17.43495222     12.23575487    -11.87267865
  O     16.26033011      9.01558566    -11.49630281
  H     10.20822398     10.15809176    -14.09895764
  H      9.93017357     12.03921552    -11.11058521
  O     15.99339495      8.94344009    -14.39903721
  H     13.92013808     14.45957987    -15.10737775
  H      8.41778000     12.33761232    -11.20906384
  O     16.78002301     11.72879567    -11.38047777
  H     14.72902669     13.44896150    -14.21897096
  H     17.18669861     14.58456235    -12.94117918
  O      9.18896506     12.13318696    -11.73218852
  H     11.53950591     13.71716716    -12.99628738
  H     15.89600910     15.03832933    -13.63149520
  O     16.45820737     15.21187841    -12.86401259
  H     10.12595235     13.11064528    -13.08639731
  H     14.88532817     12.62055751     -9.01533278
  O     15.63372928     13.12942890     -9.35048951
  H     16.07790702     13.22913263    -17.63805335
  H     15.28953840     13.96257568     -9.69304746
          69
 Energy    -248.49159070549399     
  O     14.36868276      3.89731979    -16.56262380
  H     14.32117192      3.90457713    -15.59825209
  H     20.26057952      6.55890215    -15.02897978
  O     18.00090976      6.39715453    -11.80609227
  H     14.26804090      4.82580221    -16.81991262
  H     17.45385067      8.16852225    -16.11407856
  O     19.35681264      7.33930226    -18.21179377
  H     18.83531089      6.64709582    -12.22036421
  H     18.37732529      8.62938278    -17.24794864
  O     16.70742148      6.27652097    -18.71458014
  H     17.33387545      7.01719067    -12.14382549
  H     15.89995019      6.64487812    -15.79875746
  O     13.60571634      6.26260327    -10.77033072
  H     20.07809805      7.39528438    -18.83244664
  H     16.49101367      7.18950522    -14.44717546
  O     14.40137557      4.37895648    -13.79601106
  H     19.71185547      6.92008943    -17.40749262
  H     12.47604296      9.05465852    -15.68848989
  O     16.11889866      8.03058213    -12.86792274
  H     16.77520413      5.32823419    -18.54397725
  H     13.37760047      8.16299768    -14.80976801
  O     18.07958585      4.38554530    -15.58913382
  H     17.59705086      6.63165224    -18.60611304
  H     16.01788931      4.01615787    -10.16749735
  O     13.24580000      3.47906151    -11.37654749
  H     14.48401783      6.23268760    -10.37346339
  H     16.34417843      3.27205251    -11.47086239
  O     19.04595310      9.65419642    -14.11798165
  H     13.34742752      5.33885300    -10.88763512
  H     14.14937269      7.45312477    -16.83981132
  O     16.70083154      3.50656359    -17.87142617
  H     15.33575056      4.28561314    -13.56387874
  H     15.22696013      6.70730056    -17.74391856
  O     20.20317143      6.15555396    -15.90180074
  H     13.89774537      4.00447190    -13.06254618
  H     21.09204377      7.57294424    -12.93000692
  O     17.81127657      8.96161682    -16.54251423
  H     16.20445665      8.99156919    -12.89636313
  H     19.82462229      8.21996507    -13.53550478
  O     16.70867180      6.75178304    -15.27903326
  H     15.18745732      7.79233428    -12.95836618
  H     17.45591864      4.81478855    -12.61201561
  O     13.37292107      8.74290776    -15.58926364
  H     17.70560961      3.97486300    -16.37795593
  H     17.51445981      3.95381149    -13.89603971
  O     15.83961118      3.19805831    -10.64867214
  H     17.62051315      5.23549219    -15.47944500
  H     16.98432209      6.05789749    -10.35211137
  O     14.55575785      6.60740278    -17.04959198
  H     12.68198467      2.76087434    -11.10366739
  H     16.63580852      6.17807149     -8.85417639
  O     20.21817761      7.37295484    -13.25713053
  H     14.14427552      3.27008130    -11.06186143
  H     13.85200464      6.15402067    -13.71757135
  O     17.09185412      4.02250622    -13.02962296
  H     18.32980160     10.12475265    -13.67795031
  H     13.43717285      6.91627353    -12.45245413
  O     16.30585887      5.85249502     -9.68843787
  H     18.73290712      9.49554099    -15.01948240
  H     16.34445367     11.59968274    -12.75645694
  O     13.59038488      7.03159866    -13.40274679
  H     15.83918115      3.55416362    -17.41746276
  H     16.20555560     10.77599564    -14.06225987
  O     16.56842769     10.76480612    -13.15692546
  H     16.68137888      2.72427151    -18.41554906
  H     14.85236590      9.92417259    -15.69886780
  O     15.62879528     10.49585451    -15.66219341
  H     19.60125214      5.40445208    -15.80117483
  H     16.34307815     10.03889204    -16.12822002
          69
 Energy    -248.49155837079849     
  O      2.95384598      5.01436703      3.78439451
  H      3.05906939      4.14939290      3.36732873
  H     -0.93688820      7.53078445     -0.44598965
  O     -0.00813738      8.75469777      5.37780451
  H      3.14084936      5.64625009      3.07920054
  H     -0.29843187      5.29972881     -0.46790424
  O      0.38774119      9.97893121      2.87039412
  H     -0.05886106      9.11789558      6.25843064
  H      0.34549503      4.59050665     -1.68714563
  O     -1.91674952      6.99165855      4.18563339
  H      0.85127707      8.30196199      5.31301404
  H      1.49318314      7.97555230     -3.40230038
  O      3.00353374      4.63254797     -0.05016941
  H      0.13281308      9.72845773      3.76585210
  H      0.47412559      6.83163522     -3.50723424
  O      4.38414147      8.65707222      3.30050472
  H     -0.40819233     10.13863021      2.33944978
  H     -1.24936422      9.83493321      0.26924430
  O      3.33460831      8.25332360     -2.86685962
  H     -1.35917334      7.62964849      4.64787239
  H     -2.27316315      9.32576757      1.31487225
  O      3.27237732      6.85083060      1.51755843
  H     -1.37483289      6.19576289      4.10596404
  H      3.42209771      5.12272756     -1.84515259
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  H      3.14023857      3.91323244      0.57787655
  H      3.46193649      6.35860857     -2.78555002
  O      0.76773586      4.90619891     -3.47394405
  H      2.05679850      4.63732048     -0.26209013
  H     -0.02422493      8.66387497     -1.97419494
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  H      5.33292364      8.58903708      3.38195518
  H      0.78609149      9.07269978     -0.72922243
  O     -1.22440637      6.73896355      0.03397490
  H      4.11704528      8.02102993      2.61666532
  H      2.61198108      6.62819847      4.90667266
  O      0.29416532      4.57791671     -0.72342839
  H      3.14175224      8.60988887     -1.98381964
  H      3.11441788      8.04842446      4.60994166
  O      0.54623107      7.79092135     -3.44099387
  H      3.91165786      8.88079299     -3.29542512
  H      1.99758630     10.55584460      2.23397679
  O     -1.68219756     10.05882024      1.10355365
  H      2.33463677      7.03897043      1.70208556
  H      3.47272997     10.16410175      2.42192215
  O      3.34448089      5.40010990     -2.76703160
  H      3.30061642      6.08882922      0.92220133
  H      0.03073571      7.18962854      1.26281760
  O     -0.11456156      8.99634505     -1.06793408
  H      0.22840046      5.96621620      3.00293278
  H      0.56952933      8.27277656      2.25927668
  O      2.44086389      7.55712624      5.09677329
  H      1.00516915      4.96835116      3.85012866
  H      1.99506340      2.74888576      1.94173080
  O      2.87876888     10.65534489      1.84334262
  H      1.72076552      5.02589780     -3.30950302
  H      3.21810811      1.82126117      2.14993040
  O      0.68663905      7.36565332      1.94865001
  H      0.68715542      4.35080723     -4.24478003
  H      2.76462001      9.74357248      0.31774210
  O      2.96137082      2.73617862      2.07490160
  H      0.17762022      3.45640737      0.78513921
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  O      2.67411641      9.01494060     -0.31536023
  H      0.06174190      3.72689520      2.30299990
  H     -2.73337852      7.44379261      2.70539423
  O     -3.12675454      7.67898553      1.84643501
  H     -1.98559681      6.97789916      0.57828591
  H     -4.07062442      7.58257394      1.94141255
          69
 Energy    -248.49155660354864     
  O     -1.18356139      4.78787619      0.00441885
  H     -0.51097736      5.36710949      0.38589946
  H     -4.35941397      5.70616365      6.61598737
  O     -6.25301554      5.94855610      6.44060754
  H     -1.39748870      4.11060226      0.65837161
  H     -4.90268874      9.45829482      0.24307045
  O     -5.10227558      8.53469057      3.41161189
  H     -7.01131505      5.75570555      6.98462282
  H     -4.05113878     10.27448387      1.22089664
  O     -1.96728810      8.28800567     -2.55659693
  H     -6.16716148      6.91875352      6.40653417
  H      0.11766284      7.53110919      0.65683646
  O     -5.59356033      5.82279667      3.69706343
  H     -4.19642210      8.73897778      3.67644309
  H      1.45213799      6.89093023      1.12063059
  O     -6.07139482      6.06875964     -1.60454200
  H     -5.24194784      9.00906446      2.57979283
  H     -5.05217989      4.77893106     -2.17798740
  O     -3.40726972      6.42183936      0.72924733
  H     -1.98429935      7.31376866     -2.58729734
  H     -4.84112154      3.56820429     -3.11442298
  O     -2.16914848      2.98212673      1.92153886
  H     -1.70614143      8.58517021     -3.42381897
  H     -2.23743836     10.15812644      2.59949622
  O     -2.05285537      5.58240616     -2.50365423
  H     -5.44409652      6.76826342      3.53949891
  H     -1.92925236     11.47753946      1.86260180
  O     -2.42211714      9.15408939      4.09128461
  H     -5.95244944      5.74433261      4.58823909
  H     -4.82092706      8.70712803      6.46304650
  O     -5.88899953      5.15332742      1.02729868
  H     -6.22428931      5.80449384     -0.68587744
  H     -5.69207134      8.71609757      5.19535410
  O     -3.39851521      5.77742875      6.54468153
  H     -5.61671541      6.91978511     -1.56096426
  H     -2.47136936      5.45342013      3.60477380
  O     -4.94862419      9.95458753      1.07121498
  H     -4.24540530      5.95006763      0.82988859
  H     -3.94845975      5.01939277      3.78661457
  O      0.50887988      6.75852989      1.10824044
  H     -2.76729948      5.82384378      0.32283668
  H     -3.69413786      2.85652197      0.70478504
  O     -4.43338980      4.06189718     -2.40730420
  H     -1.85660612      2.16653651      2.30594900
  H     -4.35722108      3.19625919     -0.66214382
  O     -2.18907825     10.56956798      1.72108846
  H     -2.49985899      3.52572069      2.65560547
  H     -3.01048941      7.48099339      6.70665223
  O     -5.72899023      8.59954570      6.15520871
  H     -1.60802179      5.22924665     -1.72124968
  H     -2.47961763      8.63113753      7.59402829
  O     -3.03382673      4.71840893      3.89215040
  H     -2.86593943      5.06835543     -2.58469858
  H     -1.25994212      9.43853751      0.47420683
  O     -4.53785367      2.91136491      0.24309328
  H     -2.08455044      8.32746680      3.71031000
  H     -1.15690952      8.72862176     -0.90846669
  O     -2.90382290      8.44772579      6.75995622
  H     -2.49808797      9.01812039      5.04354229
  H     -3.65787152      8.43089892     -1.72046291
  O     -0.72198998      8.83682014     -0.05366955
  H     -5.95370107      5.28214062      1.98149165
  H     -4.01189516      7.68073097     -0.42781982
  O     -4.37746825      8.28054283     -1.09720871
  H     -5.53813521      4.26513815      0.85690607
  H     -2.35832951      6.82577129      2.10551043
  O     -1.69447018      6.87064931      2.81385134
  H     -3.15894290      5.30000340      5.74180277
  H     -0.83235782      6.82106598      2.38451753
          69
 Energy    -248.49154310366032     
  O     15.80387447     13.24088880    -11.97794930
  H     16.50433762     13.61014999    -11.41105523
  H     14.43543030     13.84934642     -5.69706662
  O     17.54233584      7.35853018     -3.59970782
  H     15.41347349     13.97616055    -12.44292804
  H     15.43402582      8.77955125     -6.91211392
  O     17.22926373     13.17675762     -7.77570375
  H     16.59473720      7.30730298     -3.81495495
  H     14.20560546      9.73701159     -6.87123146
  O     14.89392603      7.35931214     -4.24399448
  H     17.74093682      6.60318462     -3.05226950
  H     19.45518944      9.95737872    -11.07997426
  O     13.62421945     11.12705512     -7.84030182
  H     17.13397149     12.31816690     -8.22056356
  H     18.49751237     10.87079037    -11.92637972
  O     20.39469500     13.06691655    -10.25504261
  H     16.42732572     13.31958602     -7.26127019
  H     20.15296442     10.37809868     -7.91771974
  O     19.83670437     12.27066781     -7.57655473
  H     14.73192539      7.95001266     -4.99787426
  H     19.94407418      8.97460191     -7.30421847
  O     19.96154091      8.29566989    -10.49976824
  H     14.03873637      7.18141272     -3.86138931
  H     17.49905998     14.01100741     -9.41341605
  O     16.91608467      8.43781459     -7.84137494
  H     13.94844550     11.93480977     -7.42559089
  H     18.67519507     13.96823869    -10.39540563
  O     15.98796949     11.15065492     -4.91394139
  H     13.87431734     11.17152720     -8.77210865
  H     17.55116974      9.18341652     -2.96604769
  O     14.66738952     11.14055567    -10.48421407
  H     21.17259743     13.25883560    -10.77211603
  H     18.23828383     10.50325967     -3.35358868
  O     14.87769595     13.22173984     -6.26253967
  H     19.99622561     12.26299096    -10.63400065
  H     16.02681405      8.41522470    -11.49950428
  O     14.71628087      9.10276735     -6.34766281
  H     18.95384379     12.67099908     -7.55411905
  H     14.87313225      8.27267482    -12.51814528
  O     19.11897671     10.85620194    -11.18288649
  H     20.22680650     12.59354056     -8.39740993
  H     16.25024835     10.91676618     -9.63024771
  O     20.29058799      9.43699615     -8.07798706
  H     20.71805796      7.75410889    -10.70690850
  H     17.79617748     10.85151403     -9.84894061
  O     17.74059125     14.19458701    -10.33177956
  H     20.11096184      8.66015183     -9.60736926
  H     19.30718856     11.59112893     -5.89715243
  O     17.51314572     10.13870208     -2.83080997
  H     17.60994232      8.34546867     -7.17606063
  H     17.89738132     11.29356869     -5.30668464
  O     15.39077686      8.91600599    -12.04147465
  H     17.04643574      9.29850778     -8.26969415
  H     18.50813571      7.94436880     -5.10550521
  O     17.10168920     10.83937591     -9.17852085
  H     16.33047817     10.82353242     -4.07091169
  H     18.89955987      9.36191323     -5.58051463
  O     18.84235261     11.11942734     -5.19571145
  H     15.57134424     10.40618426     -5.36895652
  H     18.13257669      7.73208645    -10.58999742
  O     18.87801328      8.43092673     -5.85129467
  H     14.93416363     11.90553696    -11.01177734
  H     17.00607079      7.71015326     -9.55008340
  O     17.18238912      7.59817245    -10.49439726
  H     14.77272900     10.35551303    -11.03933444
  H     16.66965555     11.76201066    -12.81314246
  O     17.13543368     10.94724977    -13.04149504
  H     15.24930754     12.53297561     -5.68200737
  H     16.53167121     10.22378519    -12.83013670
          69
 Energy    -248.49122716951939     
  O     15.07143607     10.88127498    -15.91278667
  H     15.59772106     10.68646109    -16.69631926
  H     19.30308016      5.10483587    -15.28507777
  O     17.50280346      6.90390021    -11.69847502
  H     15.70549503     11.03406382    -15.20261070
  H     18.00813932      9.20196444    -17.45606542
  O     19.22868900      6.28872763    -18.19112889
  H     18.38036096      6.99939569    -12.08761723
  H     18.96723459      7.97346469    -17.48502964
  O     16.62876378      5.44491710    -18.38460384
  H     16.93498882      7.53852685    -12.16267838
  H     17.24212427      6.22276747    -15.32817351
  O     12.82992292      6.74778158    -10.87539608
  H     18.32192179      5.94363087    -18.27098778
  H     17.63309708      7.64472035    -15.84013979
  O     14.29958983      4.88565886    -14.27005752
  H     19.69527084      6.00793640    -18.97397297
  H     13.08831318      8.38218309    -15.17443708
  O     15.95662893      8.53279083    -13.26659099
  H     16.03392760      6.20097096    -18.28073392
  H     13.71314918      9.59886824    -15.90482864
  O     17.68809707      4.35366428    -15.07955612
  H     16.21928845      4.74567951    -17.86228501
  H     15.08262796      2.64672362     -9.87652798
  O     12.96137259      4.07167024    -11.84987332
  H     12.29656775      7.18148470    -10.21463580
  H     14.32870268      3.56224679    -10.87356588
  O     19.22175560      9.72310763    -14.41003252
  H     13.72583092      6.66472199    -10.50352518
  H     19.99659465      6.72241491    -13.96768089
  O     15.35983696      3.67545723    -16.51099655
  H     15.06808181      4.78932671    -13.68940687
  H     20.81250585      7.18784004    -12.74498490
  O     20.00896725      5.75116920    -15.43978953
  H     13.96927531      5.78679349    -14.14912536
  H     16.90294164      5.30585892    -12.27042231
  O     18.68556201      8.72933168    -16.95330017
  H     16.30113332      8.06803427    -14.04669038
  H     16.19016078      3.98890170    -11.85275523
  O     16.93993382      7.13501345    -15.39946748
  H     16.21204751      9.45886449    -13.35097629
  H     16.14969796      6.55890246    -10.35508731
  O     13.16149242      8.81266282    -16.03468908
  H     17.38007927      4.26700897    -14.16523327
  H     15.36907594      5.30456357     -9.91244001
  O     15.17162031      3.43731082    -10.40090470
  H     16.99919774      3.97957530    -15.64078121
  H     14.30510241      7.95058631    -17.07775947
  O     19.94758429      7.24096622    -13.14563804
  H     13.24060948      4.21157597    -12.76295680
  H     15.69029876      7.36745632    -16.71914512
  O     16.55424311      4.46736997    -12.60639747
  H     12.74609685      4.94938651    -11.50704590
  H     13.10100164      7.28054091    -12.65987801
  O     15.34436870      6.26987341     -9.90906949
  H     19.17634282      9.45965437    -15.33990875
  H     14.29641845      7.90298912    -13.41361520
  O     15.11664588      7.59114254    -17.46695425
  H     19.48744323      8.93543760    -13.92192916
  H     17.82324516     10.65837641    -13.98984994
  O     13.45142275      7.44534241    -13.54300039
  H     14.88181524      4.12658171    -15.79420492
  H     17.17444928     11.86303122    -13.26505541
  O     16.97296729     11.08098239    -13.77130312
  H     14.86942294      2.88044408    -16.70453228
  H     15.93314057      9.04478152    -18.07123110
  O     16.47023198      9.83751872    -18.24623137
  H     19.93878793      5.96379060    -16.37602254
  H     16.21161889     10.16237397    -19.10489528
          69
 Energy    -248.49100783459471     
  O     -1.99249259      5.01721079      3.61162222
  H     -1.60103107      4.82456489      4.47171632
  H      0.00477621     -1.12342770      2.52396465
  O     -2.56276597      2.80785118      2.08192085
  H     -1.25921031      5.29362836      3.04739628
  H     -3.17194701     -1.06249651      3.53457412
  O     -0.45286459      4.35702963      5.96805329
  H     -2.54069129      3.59077199      2.65018550
  H     -3.81378378     -1.77096698      2.33455265
  O      1.81830110     -2.94662602      0.95677328
  H     -1.76122291      2.84730177      1.54417847
  H     -0.44487197      2.51310617      5.69003921
  O     -0.24977234     -0.42942715     -1.80410582
  H     -0.34409252      4.92569242      6.72534128
  H      0.40283715      1.78166770      4.63092953
  O     -1.72733765     -1.98613557     -0.01151349
  H      0.33681662      4.47532969      5.40803791
  H      1.24781149     -1.69794126      4.34109438
  O     -2.35890999      0.62240598      3.76420201
  H      1.74022125     -2.70786002      1.89087812
  H      0.29083428     -2.75706704      3.67071673
  O     -4.36541459     -1.28452396      0.52397239
  H      1.08808550     -3.55416726      0.78877380
  H     -0.94692438     -5.11837542      0.13178921
  O     -1.53503222      1.94114788     -1.76602438
  H      0.66190624     -0.58443463     -1.53195270
  H     -1.07339997     -3.59249635      0.34866606
  O      2.36687710     -0.90144178     -0.72410463
  H     -0.79099134     -1.04668175     -1.29254962
  H      1.92606114      3.59845580      4.01822561
  O     -1.20463638     -3.64760991      3.42718401
  H     -1.31065412     -1.47389985      0.69961396
  H      1.25712103      4.83805646      3.37878964
  O     -0.53407510     -0.51075744      2.00313629
  H     -2.67822412     -1.84266525      0.07176943
  H      0.70909148      0.51366189      1.37880215
  O     -3.40810573     -1.93532212      3.19297849
  H     -2.54958983      1.38981432      3.20583201
  H      1.93083049      0.49897421      0.43523002
  O     -0.26511412      1.64063286      5.31799530
  H     -1.72369861      0.92248074      4.42673712
  H      0.84990267      0.22737996      5.73337434
  O      1.06400743     -2.18342395      3.53057405
  H     -4.18105806     -0.34244028      0.35636666
  H      1.92980659     -0.51973476      6.54269741
  O     -0.62887397     -4.39669561      0.66786521
  H     -5.26034309     -1.44305761      0.23676993
  H      1.95357679      1.49031367      2.76870090
  O      1.60621918      4.49025284      4.20938448
  H     -1.05365397      1.09534837     -1.81789949
  H      2.25127620      0.96701262      4.20572683
  O      1.46992368      1.04272723      1.08389595
  H     -1.69524760      2.22159781     -2.66311506
  H      0.10481050      4.61664803      1.29107339
  O      1.58745054     -0.39932628      5.66003058
  H      3.16976595     -1.09794555     -1.19871999
  H      0.46337577      6.11897012      1.27342260
  O      2.04570434      1.75590223      3.69491457
  H      2.19691567     -1.66068431     -0.13665956
  H     -3.03845339      1.48452573     -0.64908491
  O      0.27626725      5.38770478      1.85689716
  H     -1.09148221     -4.05055184      2.55911344
  H     -3.48500552      1.86306628      0.77349073
  O     -3.69756133      1.28793282      0.02643292
  H     -2.01005663     -3.11092783      3.37983215
  H      0.41963806      2.43278032      0.63525401
  O     -0.25787874      3.09458229      0.43619731
  H     -1.21396188     -0.15210179      2.58718045
  H     -0.69046663      2.80992511     -0.37922632
          69
 Energy    -248.49089260600314     
  O     -1.85678129      3.49508807      2.38600260
  H     -1.20198828      3.99287211      1.87144588
  H     -1.34241609      4.65647904     -3.21690995
  O     -2.84378494      5.80849136     -0.64497190
  H     -2.59212199      3.31452099      1.78694031
  H      1.78890742      6.27224286     -1.42784669
  O      3.98478637      5.78024308      0.80040113
  H     -2.58145488      6.44600265      0.03152775
  H      0.30783528      5.91750071     -1.71881461
  O      2.66155004      7.67562744      2.50706358
  H     -2.06458350      5.58888991     -1.16745488
  H     -2.43180063      1.82560993     -2.62539667
  O      1.17013539      2.34539446      0.25021792
  H      3.87031452      4.90764983      1.20629733
  H     -2.92598188      2.63947741     -3.83844778
  O      0.24551517      4.80455631      1.06424504
  H      3.60655680      6.42807674      1.40362631
  H      2.35903741      2.74365111      5.14091819
  O     -2.18640829      7.59135137      1.44098472
  H      3.07452013      8.46842881      2.83852846
  H      1.42984007      2.61950520      3.90890907
  O     -1.34335830      2.27031012     -1.12965793
  H      1.91510489      7.95856372      1.94764297
  H     -5.03711789      4.38712978     -2.44433394
  O     -1.72468351      6.02789615      3.60858169
  H      1.53890833      2.51162907     -0.63041319
  H     -4.15032816      5.57200406     -2.00627248
  O     -3.57880068      3.27270284      0.24274282
  H      0.88029578      3.21154930      0.58297488
  H     -3.41338491      4.78575465     -3.95121082
  O      0.55371408      8.26403209      0.90847665
  H      0.57930321      5.15094604      1.90336384
  H     -2.79206939      4.78141141     -5.37109771
  O     -0.79958644      4.66252232     -2.41801393
  H      0.49120985      5.42940780      0.37327503
  H     -0.56119136      2.23975133      2.85851415
  O      0.87889224      6.47030111     -1.16940481
  H     -2.05046733      7.04909780      2.23833233
  H      0.59990522      1.68075639      2.01493401
  O     -3.13748427      1.87868112     -3.28407790
  H     -2.80004689      8.28140592      1.68194984
  H      2.54671072      4.02528848     -2.12862079
  O      2.10468247      3.18034478      4.33262959
  H     -2.06763001      2.50972133     -0.53433909
  H      1.11492562      3.69454040     -2.57086050
  O     -4.62918558      5.20325909     -2.76049285
  H     -0.55918641      2.09450603     -0.59857938
  H      1.71493888      6.34606447      3.37960576
  O     -2.66135864      4.46508137     -4.48150239
  H     -1.96374805      5.11948977      3.38269981
  H      1.49866142      4.89422607      3.94615861
  O      0.27538498      1.75721063      2.92008182
  H     -0.77163759      6.00396856      3.77367668
  H      3.13161629      3.20764978      2.72656149
  O      1.91894904      3.29606707     -2.22629973
  H     -3.39352869      4.19253572     -0.00048492
  H      2.83816165      2.80288635      1.27217364
  O      1.05315857      5.67859422      3.60122453
  H     -4.29031815      2.97288146     -0.33511072
  H     -6.08424856      1.99535112     -1.96710963
  O      3.47190918      3.27094179      1.82592345
  H     -0.37262022      8.12248570      1.13475067
  H     -4.61488988      2.23693950     -2.39329237
  O     -5.34115526      2.57897763     -1.84139383
  H      0.69069908      7.78520708      0.07855268
  H      3.72749100      5.68495130     -0.86878005
  O      3.46951833      5.63437142     -1.80866731
  H     -0.96890714      3.82932480     -1.95276047
  H      4.20207023      5.97260216     -2.31532173
          69
 Ord_Energy   -248.490738    
 O   -1.83197486      -3.50659847       8.17128754    
 H   -1.61102200      -4.44678879       8.15241241    
 H   -2.73790860      -3.44944620       8.49711895    
 O   -5.64446831      -5.00973034       1.92164719    
 H   -6.07077122      -5.53586197       2.60982060    
 H   -4.91436338      -5.53171778       1.56556320    
 O   -7.89820147      -3.59057617       1.05942118    
 H   -7.79138660      -3.24033809      0.177109167    
 H   -7.09787703      -4.10820007       1.23793674    
 O   -1.65623808      -2.69747257       5.57607889    
 H   -1.64946604      -2.87738681       6.52853155    
 H   -2.30780792      -2.00662017       5.39565802    
 O   -6.32766104      -3.79250979       5.06743574    
 H   -5.40262508      -4.04996443       4.93694782    
 H   -6.31062889      -3.15512490       5.79218626    
 O   -5.69932032      -1.82554293       6.89552736    
 H   -4.97910833      -1.61058128       6.28337669    
 H   -5.32554817      -2.35456991       7.61041355    
 O   -5.18936825       1.20202959       4.20970345    
 H   -5.99529505      0.856838286       4.63538551    
 H   -5.17282438       2.14119053       4.37010765    
 O   -4.16994238      -2.61849427       2.50406051    
 H   -4.66300344      -1.86397433       2.14733934    
 H   -4.71862698      -3.40246463       2.37793446    
 O   -5.77640009     -0.481699347       1.94833314    
 H   -5.54280186      0.234628126       2.55034256    
 H   -6.50735617     -0.948341966       2.37830925    
 O   -7.31233358      -5.74756600E-02   5.35073185    
 H   -7.63517570     -0.667236924       4.67312908    
 H   -6.90938234     -0.605596006       6.03696060    
 O   -1.42852509      -6.32816792       7.83471203    
 H  -0.887545049      -6.92579174       8.34371281    
 H   -1.12641382      -6.39581585       6.91089249    
 O   -7.70325136      -2.03003812       3.34639454    
 H   -7.95129585      -2.52269006       2.55201316    
 H   -7.20502472      -2.65050864       3.89582348    
 O   -7.10553169      -6.19742823       4.06742096    
 H   -8.04560089      -6.28845024       3.92829275    
 H   -6.96981382      -5.34370852       4.51405573    
 O   -3.82895255      -1.16728163       4.88242817    
 H   -3.96473265      -1.71218395       4.09257364    
 H   -4.15143061     -0.282970756       4.66880322    
 O   -4.19532871      -6.02671146       7.53640556    
 H   -3.27511168      -6.27565241       7.69851351    
 H   -4.60071182      -6.70000076       6.96874714    
 O   -1.95945706E-02  -4.04668713       3.90156627    
 H  -0.542712271      -3.49427891       4.50945187    
 H   0.838852108      -3.63724422       3.82749152    
 O   -3.70274353      -4.62709570       5.14292383    
 H   -3.84343648      -5.06438065       5.99431324    
 H   -2.98042297      -3.99899316       5.25627995    
 O  -0.709069371      -6.48185873       5.23559046    
 H   -1.44555092      -6.81779194       4.70693302    
 H  -0.372994721      -5.71184444       4.76181984    
 O   -5.17241907      -7.68194389       5.59235191    
 H   -4.43430948      -7.67383051       4.96724892    
 H   -5.91637468      -7.30393553       5.10821819    
 O   -3.29941535      -6.32016087       1.09625494    
 H   -2.99366140      -6.70774937      0.281375468    
 H   -2.73686528      -5.54185104       1.27156663    
 O   -4.64532423      -3.64323425       8.80008698    
 H   -5.00449705      -3.76809835       9.67555809    
 H   -4.59678888      -4.52415562       8.39018345    
 O   -3.08245063      -6.99829721       3.82864261    
 H   -3.12994313      -6.92722702       2.86885238    
 H   -3.30334234      -6.12023020       4.17860985    
 O   -1.91762996      -4.12022209       1.76760530    
 H   -2.58903980      -3.46950698       2.01626444    
 H   -1.23389888      -4.09671068       2.44654417    
          69
 Energy    -248.49071990196506     
  O     14.44900406      8.90454038    -16.60355101
  H     15.33955561      9.07917521    -16.95218320
  H     14.82862615     11.46226370    -20.17859959
  O     13.47012025      8.62503012    -19.29844468
  H     14.53199239      8.67876400    -15.66721409
  H     17.56596364     14.95092373    -15.67757744
  O     15.86900264     15.39600345    -18.17524051
  H     13.61906968      8.80541622    -18.36426960
  H     18.42895996     13.97671707    -16.51045773
  O     16.30191753     14.94637309    -14.21528734
  H     13.85788323      9.36165082    -19.79639669
  H     17.14627401      5.99008171    -17.74629295
  O     18.86207592      9.26391213    -15.78676561
  H     16.00699207     16.22189838    -18.63085818
  H     18.58073845      6.16974788    -17.22423898
  O     14.42342008     11.81097880    -16.46026563
  H     16.67588956     15.21851651    -17.65956288
  H     14.12685858      7.15931990    -19.86886845
  O     16.89067255      9.27561135    -17.77129751
  H     16.12638689     15.52070327    -13.47549826
  H     14.10034110      5.86269737    -20.72065145
  O     14.89943447      8.19491933    -13.92988751
  H     15.49168437     14.92017406    -14.75593622
  H     14.63240581     14.99088235    -16.75702586
  O     17.05794473      9.74518926    -13.66375104
  H     19.13923150      8.35337259    -15.62605823
  H     14.04752861     13.72119359    -16.10458480
  O     16.58469653     12.22473752    -14.77567098
  H     18.17973001      9.20917518    -16.47229540
  H     15.96976198      6.68605664    -14.37955650
  O     17.17205069      7.57711568    -20.05629213
  H     15.17099443     11.91097306    -15.85060969
  H     16.04108329      5.82316381    -15.64224087
  O     14.75552277     10.63841630    -20.67859367
  H     14.21663305     10.87161787    -16.48347868
  H     16.91331140     12.09961487    -19.03537779
  O     17.97798129     14.82845698    -16.54273635
  H     16.95705000      8.62145200    -18.47754615
  H     17.83269727     11.15176620    -19.85859921
  O     18.06935471      6.03800687    -18.02980867
  H     17.12486864     10.12655879    -18.16376275
  H     18.54386026     11.94207961    -17.41585760
  O     14.62786378      6.35311030    -20.09720178
  H     15.67594552      8.75987295    -13.75771765
  H     19.05543474     11.16597657    -16.17856519
  O     14.22212417     14.65733238    -15.94827465
  H     14.35584980      8.21890597    -13.14729839
  H     14.99202806      6.01882164    -18.27276282
  O     16.50367332      6.01099804    -14.81549641
  H     17.76184376      9.50641786    -14.28038959
  H     14.91089113      7.00302393    -17.09695299
  O     17.75518749     11.62040316    -19.01794965
  H     16.83643280     10.66081074    -13.88295261
  H     17.47209738      9.09080361    -20.91267852
  O     18.78259078     12.04145069    -16.48181564
  H     17.35042856     12.19055715    -15.36758305
  H     17.95046470      9.89360483    -22.14455414
  O     15.26793786      6.14561679    -17.35591996
  H     16.52471583     13.12475240    -14.43399090
  H     18.21583787      6.30120707    -15.10809756
  O     17.53804196      9.98525243    -21.28960508
  H     17.67728889      6.99359292    -19.46872534
  H     19.69699333      5.90570780    -14.90530576
  O     19.12702195      6.49344025    -15.39407861
  H     16.31451190      7.15475605    -20.19576794
  H     15.40928864     13.72829246    -18.79987999
  O     15.26001270     12.78362927    -18.92880989
  H     15.64243289     10.44551144    -21.00069340
  H     14.91514937     12.43341609    -18.09433634
          69
 Energy    -248.49058774422622     
  O     16.03313993      9.45099315    -16.24978048
  H     16.46487920      9.21432258    -15.41842509
  H     12.69371203     10.33311129    -15.52837874
  O     15.05327484     13.03405355    -15.59385467
  H     15.16803380      9.80445732    -16.01058764
  H     17.62483797     10.24180572    -18.86096839
  O     19.15273011     10.04666795    -10.76098009
  H     14.40610854     12.32094645    -15.62525401
  H     16.98865919     10.28183721    -17.45313041
  O     20.11945469     12.55784329    -11.68962231
  H     15.82273702     12.66273152    -15.13473896
  H     16.10348350     12.95170469    -11.32320519
  O     14.05973350     10.58692019    -12.68515842
  H     19.50176687     10.93903992    -10.88086986
  H     15.00881561     12.97618038    -10.23603465
  O     16.44013271      9.81795023    -11.18748322
  H     19.54231359      9.52827049    -11.47544570
  H     19.42325860     16.24327196    -13.43642027
  O     17.32534979      9.20312025    -13.73564031
  H     20.71429982     13.30447471    -11.54298232
  H     20.77357189     16.30425007    -14.16516389
  O     16.74004442     13.55340440    -17.81550836
  H     20.40852099     12.13360241    -12.50922241
  H     20.48961464     11.41643325    -14.81714595
  O     18.94221609     14.42352504    -16.40825724
  H     14.29628292     11.40599892    -12.23045861
  H     21.73162008     12.03668901    -14.12020179
  O     21.77841624     14.81025591    -11.65495857
  H     14.63722846      9.93062580    -12.28268073
  H     20.50317104     15.24344675    -16.13810827
  O     19.23549804     11.69611695    -16.03092583
  H     17.36779635      9.85110612    -10.90485191
  H     21.71865794     16.07819797    -16.59697891
  O     13.57821216     10.64580414    -15.35837956
  H     16.07839665     10.69119051    -10.99424847
  H     16.88444404     15.67268363    -14.20475864
  O     17.55896262     10.77276481    -18.07194833
  H     16.97163611      9.30008082    -12.83911567
  H     18.18648536     15.11238206    -14.83658886
  O     15.32104001     12.48206586    -10.98977361
  H     18.26769968      9.01473760    -13.64295433
  H     22.47216574     14.02016876    -13.28325254
  O     20.36244081     16.42568114    -13.29991047
  H     16.05181988     13.45291046    -17.14473006
  H     22.25309277     14.26133101    -14.78622659
  O     21.07845237     11.32513026    -14.05321276
  H     16.99729394     12.65154699    -18.04311855
  H     20.54802710      9.71613562    -13.52339405
  O     21.35614983     15.60918651    -15.84953754
  H     18.17146221     14.34119946    -16.98766808
  H     20.72944638      8.18916766    -13.37382534
  O     17.81714839     15.48607500    -14.02540689
  H     19.21655368     13.50950331    -16.24980634
  H     17.17049987     10.99871508    -14.01019633
  O     22.58200990     13.61326288    -14.15154914
  H     22.26145065     15.31754537    -11.00866684
  H     17.34045425     12.44800139    -13.43822844
  O     20.11105190      8.90024079    -13.22574982
  H     21.24995343     15.44317873    -12.17440814
  H     15.00343012     14.73562269    -14.97978265
  O     17.19740867     11.93623912    -14.24314933
  H     18.83395060     11.31890711    -16.82262808
  H     14.54531768     16.19488773    -15.13772284
  O     15.14327120     15.63663519    -14.64676770
  H     18.50924408     11.80639867    -15.39492083
  H     17.67373710     14.32116876    -12.65716133
  O     17.58870667     13.58040808    -12.04007349
  H     13.70855388     10.60539330    -14.39397054
  H     18.47766693     13.25876470    -11.83378877
          69
 Energy    -248.49036722860114     
  O     16.24883337     12.71353505    -13.90695145
  H     16.67554834     12.15374819    -14.58133737
  H     18.94113709      4.44576531    -12.02084133
  O     14.14985378      6.25490567    -13.65063454
  H     16.23027951     13.60040281    -14.25610833
  H     15.16440456      7.74733061    -13.83879513
  O     15.76042427      7.61117824    -10.18091571
  H     14.04492083      6.06013890    -14.59283016
  H     15.66461789      8.72547387    -14.94354846
  O     18.24357340      9.14382906    -13.39395546
  H     13.33449759      6.65275985    -13.31679719
  H     14.82251774     11.57350870    -13.38413188
  O     13.07657847      8.62397803    -17.03706154
  H     15.65966073      6.79239152    -10.68931319
  H     14.76539539     10.02937712    -13.43158223
  O     12.20674279      8.18430503     -8.78726505
  H     15.43201303      7.41756831     -9.29313001
  H     13.86144719      5.41183625     -8.94172299
  O     12.04014296      7.61717492    -12.47709654
  H     18.25490688      9.95881630    -12.86959999
  H     14.21518724      4.82006329    -10.32092469
  O     16.86258521      6.46962811    -16.98020522
  H     17.30843755      8.91034431    -13.52076648
  H     11.97651958      8.80913592    -13.94855031
  O     11.14855826      6.00749424    -10.36228001
  H     12.73191688      8.93051762    -16.17885517
  H     12.80675759     10.08728846    -14.16452671
  O     18.37092159      6.58955751    -14.72698579
  H     12.41552565      8.83811685    -17.68967394
  H     17.56174344      7.63267258    -10.66320515
  O     14.08750579      6.01856815    -16.36652444
  H     11.69074748      7.51641937     -9.25540985
  H     18.48092383      8.09263630    -11.81393404
  O     18.26964624      5.05867697    -12.30889860
  H     12.60883412      8.73577925     -9.47343929
  H     15.04817321      5.47692209    -12.36811119
  O     15.63020753      8.57954676    -13.98852693
  H     11.59365870      7.03229926    -11.85283560
  H     16.43788400      4.99950795    -11.85015382
  O     14.26643839     10.81882504    -13.16470307
  H     12.57960974      8.21670807    -11.93988805
  H     14.48678697      6.95408075     -6.87233144
  O     13.51331934      4.86661196     -9.65758473
  H     17.40555059      6.47021373    -16.17182394
  H     13.59061381      7.39289181     -8.05642847
  O     12.22156506      9.46467073    -14.61424164
  H     17.37493176      6.02756483    -17.65211678
  H     17.96554236     10.37582935    -15.00153962
  O     18.41876629      7.46896353    -11.08055186
  H     11.96782755      5.52886340    -10.14079941
  H     16.92021751     10.39695989    -16.13169482
  O     15.53499452      5.19641461    -11.57707250
  H     10.42669818      5.40671877    -10.19916349
  H     13.85844313      9.97275115    -11.58434482
  O     14.39906144      6.90303361     -7.81984219
  H     18.32792619      5.97523661    -13.98408438
  H     14.45598747      8.79707834    -10.74200951
  O     17.47642341     10.96791971    -15.58328553
  H     18.52116050      7.46054511    -14.34102140
  H     17.33683084     12.01765296    -12.54586403
  O     13.64794965      9.29645022    -10.92798018
  H     15.01571924      6.06393976    -16.62846371
  H     17.64363403     11.64776699    -11.08505385
  O     17.91863278     11.48454220    -11.98478141
  H     13.67752314      6.83565734    -16.67715661
  H     16.21996108      8.19700236    -16.96739181
  O     15.82119859      9.05228302    -16.75527473
  H     18.40476770      5.88219471    -11.80485344
  H     14.87962958      8.99217345    -16.96503997
          69
 Energy    -248.49025957928433     
  O     -6.46012645      3.13602231     -1.15798680
  H     -5.68758758      3.70580136     -1.25304488
  H     -0.40605151      1.15145833      3.01510882
  O     -6.97598730      2.17903197      1.37325717
  H     -6.23713336      2.31107367     -1.60855466
  H     -3.27401142      1.89843390      1.06200454
  O     -3.43205235     -3.09056706      1.31498812
  H     -6.90577926      2.66450327      0.53634398
  H     -2.04384082      1.99164595      2.00242391
  O     -1.62537626      0.19257310     -1.55839700
  H     -6.61085367      2.71565208      2.08739729
  H      0.31994051     -1.05255490      1.04905141
  O     -4.79366949     -2.74464296     -0.98531675
  H     -3.33133105     -4.01971246      1.50217631
  H      1.37761136     -0.01674131      1.46540017
  O     -3.55540662     -1.10698539     -2.97042006
  H     -3.93296307     -3.02090019      0.48188972
  H      1.87146313      2.30210670      2.59132908
  O     -1.89148753      2.94671717     -1.25702419
  H     -1.78131645      1.14758789     -1.53023774
  H      1.02909940      2.12884021      1.30847605
  O     -1.54166233     -1.03229366      1.06463144
  H     -0.67515527      0.06895516     -1.68391960
  H     -4.98518113      0.03583760     -2.51769454
  O      1.17212935     -0.00142248     -1.64495227
  H     -5.69495674     -2.39959272     -0.95693707
  H     -6.32113377     -0.11353708     -1.74800488
  O     -7.55050533     -0.54912161      1.56641224
  H     -4.35134646     -2.27967736     -1.70555293
  H     -4.39457238      0.37728051      3.71148966
  O     -4.92281333     -1.00359620      2.53592241
  H     -3.22999468     -1.31192261     -3.84306291
  H     -3.07369079      1.11983020      3.95586905
  O     -1.29923758      0.81668811      3.16777727
  H     -2.83091989     -0.66541669     -2.49479516
  H     -7.45432085     -1.15436270     -0.04776606
  O     -2.51396171      2.45268511      1.30046309
  H     -2.02170437      2.78044763     -0.30685174
  H     -8.17368056     -1.79478839     -1.25751703
  O      1.25043788     -0.81230176      0.93359477
  H     -2.57722994      3.58151877     -1.48823488
  H     -4.83300172      0.73187778     -0.38211736
  O      1.19165836      1.76276137      2.19559070
  H     -2.15119699     -1.77610661      1.14659100
  H     -5.41639790      1.37164099      0.88587061
  O     -5.66399040      0.53202216     -2.04515458
  H     -1.71268648     -0.60096039      0.21833599
  H     -3.38347723      4.03169546      1.50511963
  O     -4.02835058      1.19824020      4.06672057
  H      1.88206540     -0.34415348     -2.18026331
  H     -4.66274156      4.48457033      2.19263206
  O     -7.33033216     -1.46109185     -0.96406402
  H      1.29237687     -0.36357184     -0.74806022
  H     -4.16454414      5.67820920     -1.56164340
  O     -4.63860048      0.90436553      0.54592344
  H     -6.76537691     -0.82418450      2.05736528
  H     -4.12223294      4.85316117     -0.25700221
  O     -4.04734836      4.73737183      1.49613899
  H     -7.52687646      0.41856338      1.55253686
  H     -5.00892244      2.63724974      3.72802479
  O     -4.10739595      4.78578826     -1.22903446
  H     -4.45530628     -1.81235328      2.30178417
  H     -5.94189394      3.70761975      4.33123935
  O     -5.58573072      3.38947034      3.50559313
  H     -4.75798361     -0.38789723      1.80353695
  H      1.03496918      1.79313011     -0.92184446
  O      0.80072510      2.56987116     -0.39935556
  H     -1.42944430      0.10208298      2.52594210
  H     -0.03809350      2.88087768     -0.76166465
          69
 Energy    -248.49016303165581     
  O     18.12960000      4.61229193    -13.69936189
  H     18.76636040      3.90610279    -13.77213965
  H     14.94398475      9.83637373    -10.04305350
  O     14.36054543     10.12658385    -13.14978711
  H     18.13898961      5.08643325    -14.55097371
  H     15.54477129      8.74669849    -13.41610049
  O     11.31556037      9.11914553    -10.43673432
  H     13.68585788      9.65640076    -13.65663931
  H     16.52523636      8.10544938    -14.43734727
  O     14.09918175      8.02960727    -16.74920954
  H     14.81724670     10.74467572    -13.73974489
  H     16.23460428      4.28594061    -13.93692478
  O     17.92778226      5.95139259    -16.05062026
  H     12.22497963      9.43825529    -10.36818938
  H     14.79204972      4.77885463    -13.65917142
  O     15.18711251      5.39514365    -16.71460578
  H     11.28220658      8.28894861     -9.94563212
  H     15.81925906     11.15866578    -15.74868934
  O     16.69720084      9.79302187     -9.35861053
  H     14.43627605      7.12528406    -16.73437775
  H     16.80196888     11.43093902    -14.59085393
  O     11.37314662      6.40454467     -9.46943573
  H     13.49985567      8.12103379    -15.99786036
  H     19.32181310     11.35380177    -14.08893813
  O     17.71763785      8.70680943    -15.74988281
  H     17.04954746      5.77399808    -16.40893253
  H     18.49151439     10.41068863    -13.18976191
  O     10.27483072      8.47235612    -12.85647960
  H     18.00535112      6.91439141    -16.00953592
  H     11.73484611      8.42952820    -13.97485293
  O     11.15059847      5.84189392    -12.13497279
  H     15.17879634      4.93908980    -15.85495359
  H     13.01396821      7.56922841    -13.86841994
  O     14.10126989      9.64441664    -10.47175963
  H     14.91640825      4.75145159    -17.36505905
  H     15.70101155     10.31197020    -18.19706048
  O     15.99989592      7.92632334    -13.64866641
  H     16.75583879      8.82179350     -9.29428806
  H     15.13679110      9.33478739    -17.13658357
  O     15.32388351      4.23485511    -14.25320803
  H     16.99976908     10.14259134     -8.52451922
  H     17.84543420      9.79853919    -10.90613796
  O     15.88987362     11.56798834    -14.87694378
  H     10.86369367      5.83291899     -8.90194171
  H     18.43218641      8.63753686    -11.73166439
  O     18.53914500     10.80934355    -14.07710611
  H     11.22070857      6.10631065    -10.38392715
  H     14.72239958      6.77028995    -13.23127233
  O     12.60831970      8.29376817    -14.36370132
  H     18.12417425      9.39698381    -15.20990149
  H     13.99908938      6.41278236    -11.90940065
  O     15.79601522     10.03688311    -17.28968155
  H     17.13325018      9.15276781    -16.37753471
  H     17.20443823      7.25529529    -12.50646578
  O     18.40471177      9.60116082    -11.66597173
  H     10.62124935      8.78891536    -12.00243905
  H     18.11723747      6.02294385    -12.44550234
  O     13.96201873      6.28691205    -12.86908852
  H      9.41131277      8.86046491    -12.96662368
  H     15.82311636      6.83948803     -9.59460215
  O     17.90039316      6.83654879    -11.97666921
  H     12.03389038      5.79553707    -12.51698671
  H     17.21718259      6.87524954    -10.25556552
  O     16.74445787      7.08557722     -9.43807429
  H     10.75187449      6.65109204    -12.48222415
  H     14.05203137      7.84526325    -10.27694895
  O     14.04412216      6.88022144    -10.17984403
  H     14.19447826      9.89904668    -11.40270265
  H     13.19904662      6.64536902     -9.77880606
          69
 Energy    -248.48993658822943     
  O     20.90091646     11.26537810    -17.93070602
  H     21.27985616     12.16263960    -17.91449450
  H     19.75456085     18.55479987    -18.20643385
  O     22.44609463     14.90933347    -15.30443760
  H     21.54193632     10.70245936    -18.35605821
  H     14.76698649     12.77870047    -13.23682022
  O     14.32613829     14.37767169    -14.09670135
  H     23.29948177     15.07017823    -14.91159333
  H     15.81854147     12.18638269    -12.27109816
  O     16.92289743     11.00582694    -16.47270775
  H     21.95658685     15.75289465    -15.27164089
  H     20.39317923     17.29663792    -14.43943314
  O     17.47520105     12.39772951    -11.35703848
  H     13.46398455     14.78454056    -14.11523167
  H     20.52255559     17.50277165    -15.97292644
  O     15.85245449      9.73358131    -14.19922166
  H     14.96844370     15.08561095    -13.91044528
  H     17.55812711     10.03978245    -13.37747898
  O     21.81618383     13.80036131    -17.83591997
  H     16.52493543     10.44626163    -15.79530910
  H     18.92870629     10.60881317    -13.77738591
  O     19.53925766     15.31607840    -18.48844490
  H     16.43290174     11.84206139    -16.45324502
  H     16.43231129     15.19651363    -18.93736673
  O     16.26040190     16.21968050    -13.73160863
  H     17.59587272     12.11965843    -10.45255168
  H     15.65841563     14.84256733    -17.66917301
  O     20.17990769     13.61894257    -14.28341760
  H     17.87304222     11.70616535    -11.91620633
  H     19.03497942     16.51005041    -12.71224783
  O     18.22823069     11.78329080    -18.86446940
  H     15.24731815      9.01679584    -14.03049265
  H     18.35703719     17.82071621    -13.09491726
  O     19.52892618     17.90153174    -17.54927491
  H     15.49725952     10.51674800    -13.73988520
  H     16.65059734     16.67718758    -16.97289162
  O     15.08360162     11.95271810    -12.85178530
  H     22.11877593     14.18305570    -17.00326420
  H     17.88681540     17.55820395    -16.63908448
  O     20.96999193     17.14101110    -15.20069527
  H     21.12037717     14.38393272    -18.16606050
  H     18.03443006     14.05191808    -12.02924986
  O     18.36532780     10.42691183    -13.01505310
  H     19.14735743     14.96776927    -17.67130444
  H     19.08620378     14.36697629    -13.10515650
  O     15.90734494     15.58960457    -18.23074212
  H     18.97203909     14.99563779    -19.20046496
  H     20.10120733     11.12426609    -16.25486572
  O     19.21530248     17.39942512    -13.05128559
  H     17.01389489     15.73275742    -13.37006270
  H     18.62941791     11.18845724    -15.79893538
  O     17.14462531     17.08677951    -16.24374647
  H     16.54114210     16.62248749    -14.56498594
  H     18.97655676     14.32929172    -15.44962705
  O     18.40776558     14.77486553    -12.54622883
  H     21.02973092     13.96220629    -14.58516967
  H     18.03377493     15.47516720    -15.97434367
  O     19.54134230     11.20788045    -15.47341331
  H     20.04292797     12.74151888    -14.66853333
  H     17.78495074     13.26810401    -19.66583533
  O     18.33225195     14.56775524    -16.12597284
  H     19.14673984     11.59102008    -18.64193176
  H     17.39151628     13.94154395    -20.99962658
  O     17.60614112     14.12751474    -20.08971165
  H     17.70296125     11.41711935    -18.14162328
  H     15.25817826     13.76373923    -15.58915547
  O     15.78948209     13.49556652    -16.34832221
  H     19.58129464     17.03317192    -17.98423027
  H     16.68808086     13.84047719    -16.21949825
          69
 Energy    -248.48991248875663     
  O     12.88839341     12.87887822    -14.92770346
  H     13.60196853     13.48495918    -15.15649044
  H     18.31555868     11.88195498    -14.68582733
  O     18.02165455      7.17938968    -13.89278586
  H     12.88263150     12.22248022    -15.63650247
  H     17.27076700      9.40878340    -18.02135653
  O     18.52965010     11.51458048    -11.11684615
  H     18.08334775      7.57822794    -14.76732373
  H     17.52453127      9.67017228    -19.52213283
  O     16.32248276     14.23284799    -13.27562056
  H     17.27128962      6.57229942    -13.91871601
  H     16.49367574     10.09861347    -12.78098764
  O     15.62533123      5.60356734    -13.88636488
  H     17.86103577     11.63239242    -10.43412923
  H     15.58070531     11.36339362    -12.67288515
  O     15.29351280      8.94781275    -10.41388303
  H     18.42584019     10.59357696    -11.39912618
  H     13.58800357     10.19445438    -17.46526029
  O     14.22108536      6.76410050    -11.83425824
  H     15.99437083     14.31393500    -14.17887712
  H     14.39219426     11.41009814    -16.98216076
  O     12.30177312     12.26624183    -12.34621644
  H     17.23142621     13.91346196    -13.33552952
  H     16.90810935      8.77496409    -11.34628319
  O     14.28501126      8.73625411    -18.32734356
  H     15.56157506      4.65613199    -13.79710349
  H     17.83182439      8.31723061    -12.54435221
  O     17.64224581      8.73225057    -16.37444684
  H     15.11088535      5.98675478    -13.15531580
  H     13.18253211      9.35139889    -12.93404676
  O     15.18192080      7.46611332    -15.94832472
  H     14.51181049      9.20140007    -10.92790463
  H     12.61243744     10.35507749    -11.94167679
  O     17.71306001     11.29694366    -15.15836719
  H     15.57486863      9.73736045     -9.93611129
  H     14.00498566     12.63726652    -11.75927826
  O     16.92133566      9.86045628    -18.80799417
  H     14.74321952      7.24543399    -11.17924238
  H     15.37550151     13.33899250    -12.10058374
  O     15.89319692     10.67644086    -13.27293655
  H     13.46883248      7.34443994    -11.98589706
  H     18.82139767     12.51662089    -12.50930635
  O     13.53789713     10.96882803    -16.88589073
  H     12.47113844     12.46123863    -13.28566968
  H     19.77465159     13.49272420    -13.23430904
  O     17.65185873      9.02581707    -11.91003231
  H     11.48326873     12.70224920    -12.12351893
  H     15.69191123     11.98360125    -10.12248275
  O     12.96220346      9.45920280    -11.99592395
  H     14.52451151      8.12599565    -17.61659371
  H     16.00216019     11.95171003     -8.60671229
  O     14.94156295     12.68334431    -11.53147288
  H     15.12343239      9.06865392    -18.66926304
  H     16.72503336     11.87704264    -16.50848100
  O     18.93759409     13.04452114    -13.32034341
  H     17.72062768      9.56635070    -15.89068830
  H     16.36230443     11.48784315    -17.95160223
  O     16.16285319     11.49137586     -9.42648419
  H     16.77120978      8.34541065    -16.19299682
  H     15.11379910     15.10074978    -16.45779865
  O     16.13174181     12.10015304    -17.24316559
  H     15.29709498      6.70386661    -15.36990250
  H     15.53806196     13.61725009    -16.46471235
  O     15.19162978     14.32836629    -15.90208122
  H     14.66576883      8.10975500    -15.43874355
  H     13.64685493      9.98143001    -15.35373938
  O     13.87279204      9.43810261    -14.58813295
  H     17.00618788     11.10148520    -14.52229746
  H     14.60411069      9.88527167    -14.13171931
          69
 Energy    -248.48984893720109     
  O      3.34406715     -2.17413786      0.27893666
  H      2.65604671     -2.01328769      0.93914567
  H      3.68410022     -0.84365845     -0.86954520
  O      1.72744857     -1.52906831      2.39544655
  H      4.18942016     -1.96650472      0.70966026
  H      6.26960960     -4.33272996     -1.20963131
  O      7.81859544     -1.93280483      4.37753042
  H      2.17212996     -1.85958088      3.18484141
  H      7.25490591     -4.12295864     -2.39362441
  O      3.88126797      1.82419348      0.60530260
  H      1.77225408     -0.56556607      2.45418415
  H      6.98474098     -2.58782225     -4.07628001
  O      4.51930714     -4.48192257     -0.66765218
  H      8.33558057     -1.68656787      5.14062513
  H      7.54613364     -3.75724909     -4.92079196
  O      4.18617986      0.38098721      4.35900394
  H      7.47907416     -1.10588617      3.99503400
  H      3.13352042     -1.05744743     -4.70862972
  O      2.15953380      1.28307854      2.60879377
  H      3.84043051      1.23893482     -0.16345211
  H      3.86094015     -2.07862440     -3.80054451
  O      8.02566468     -5.26600861      1.08245582
  H      4.81644995      1.98700771      0.76812636
  H      4.10790723     -2.81219886      4.30291514
  O      7.92226979     -1.88734893     -0.23522448
  H      4.68379780     -4.99783112      0.13021679
  H      3.05559449     -2.82536574      5.43332708
  O      5.73986893     -1.70097162      1.44922917
  H      4.01626597     -3.70382858     -0.38298320
  H      6.83899189      1.45143406      0.11954685
  O      9.16653019     -2.87339211      1.96815494
  H      3.47884323      0.77134370      3.82934479
  H      7.24476951      2.78645652      0.77914328
  O      4.00115311     -0.10950028     -1.41587372
  H      3.88976507     -0.51185206      4.57196332
  H      4.91654401     -6.44352883      2.30936052
  O      7.20749718     -4.26727468     -1.44074481
  H      2.75260966      1.50470679      1.86832463
  H      5.34288423     -4.97509982      2.52512512
  O      7.04456969     -3.55816597     -4.13510851
  H      1.51952438      1.98709559      2.66741197
  H      6.39123603     -3.15503514      3.99297046
  O      3.77369379     -1.13025092     -4.00623710
  H      7.90382887     -5.04576234      0.14883649
  H      5.59391126     -2.92401446      2.71035035
  O      3.33363914     -2.34685428      4.65582721
  H      7.15267710     -5.53302880      1.38843893
  H      5.18057413     -3.82957935     -3.73711068
  O      6.74970924      1.98426195      0.92789510
  H      8.49555894     -2.12784369      0.50880270
  H      4.24504273     -4.11073606     -2.54021321
  O      5.24932653     -5.67193332      1.85629831
  H      7.73727411     -2.69845875     -0.72790247
  H      6.81616637     -0.35517059     -3.12850137
  O      5.61282102     -3.46727840      3.51562974
  H      5.96256230     -0.95449303      2.01963483
  H      5.66842240     -0.83275211     -4.04176391
  O      4.26919230     -3.73943828     -3.43039467
  H      6.48673994     -1.83297932      0.85054998
  H      5.82517358      0.14339118     -1.31367464
  O      6.62505047     -0.87857982     -3.91502296
  H      8.84361648     -3.76755352      1.77541457
  H      7.24304771     -0.42518720     -0.95380666
  O      6.77116489      0.35215834     -1.29339950
  H      8.79279799     -2.61825086      2.81719601
  H      5.78410164      0.42528201      3.64358145
  O      6.63038899      0.27518401      3.18984271
  H      3.82785820     -0.35353735     -2.33264234
  H      6.74048117      0.94813300      2.50782172
          69
 Energy    -248.48983053536199     
  O     16.66969694     10.53458151    -12.57865541
  H     17.02247108     10.04460941    -11.82456363
  H     15.20375453      5.56151408    -14.24613286
  O     13.43824522      6.19789245    -10.63309689
  H     17.01425596     10.15078135    -13.39647857
  H     17.73038870      7.67888544    -14.10177792
  O     17.19972460      9.21522229    -14.96359991
  H     13.77020942      6.98009530    -10.17437097
  H     17.32437921      6.19643114    -13.88431876
  O     13.01923260     12.93313607    -13.66716414
  H     14.20887034      5.66491987    -10.86416989
  H     14.40162242      8.68872089    -11.59507828
  O     14.52835011      8.67220410     -9.77227553
  H     17.80280968      9.15092014    -15.71436813
  H     15.10730098      9.51811544    -12.68772213
  O     14.67129795      8.68361609    -16.02660723
  H     16.30644426      9.08736122    -15.31574874
  H     12.64543020     11.29788807    -10.37325372
  O     12.82338475     10.56948407    -15.27576955
  H     13.75211353     12.84570666    -13.03204411
  H     13.06738267     11.71908371     -8.94838744
  O     16.83271428      4.76141672    -16.85350399
  H     12.99612388     13.84851844    -13.93310459
  H     15.81878405      3.71781836    -11.18778767
  O     11.58655475      6.30258774    -12.62572644
  H     14.09164682      9.52869032     -9.66088167
  H     15.80933447      4.65190827    -12.41591899
  O     17.73186033      6.61671472    -10.98890309
  H     15.48022348      8.83920423     -9.77758538
  H     12.64638665      9.14570387    -12.92880118
  O     13.90444361      6.73002963    -14.17378063
  H     14.05757163      9.41871836    -15.88134822
  H     11.44009713      8.19477188    -12.96789306
  O     15.97839150      4.97913981    -14.18762438
  H     14.32736334      7.93955667    -15.51512368
  H     17.49065285      8.20748514    -10.42368494
  O     18.03026723      6.83951584    -13.72728498
  H     12.24711892     10.05682412    -14.69466005
  H     17.96850047      9.39520135     -9.55214913
  O     14.41277402      8.86605653    -12.54428132
  H     12.93604725     11.41924765    -14.83302446
  H     19.07130105      6.28930111    -15.20728524
  O     13.35192188     11.21583950     -9.70724363
  H     16.57843067      5.62556646    -17.22590392
  H     18.59873708      5.49949809    -16.43325634
  O     15.70695466      4.62896810    -11.45047190
  H     16.69157999      4.11573222    -17.54077833
  H     17.10534534      7.75079255    -17.76670367
  O     11.69278034      9.11352841    -13.10626471
  H     12.19340902      6.25605551    -11.86426087
  H     15.63036141      7.77220506    -17.32412000
  O     17.29779797      9.13049254    -10.17612171
  H     10.88842449      5.67549524    -12.46005540
  H     14.51336856     12.12283924    -11.00978738
  O     19.29957319      6.08689379    -16.12537677
  H     17.06135804      5.92512085    -10.98093079
  H     15.61956081     11.92890971    -12.07227234
  O     16.28540469      7.24385188    -17.80065792
  H     17.99385630      6.71035695    -11.91679300
  H     19.49964515      8.89584275    -17.72380433
  O     14.92756998     12.53666516    -11.77539687
  H     13.04077961      6.45699518    -13.84403928
  H     19.08124901      7.67532844    -16.86791535
  O     18.78651607      8.54218025    -17.19957654
  H     14.19019301      7.44728222    -13.58408298
  H     11.88784557     12.08076560    -12.36332596
  O     11.52366618     11.49429198    -11.68854066
  H     16.24561986      4.76841878    -15.09091107
  H     11.38792535     10.64651782    -12.13440879
          69
 Energy    -248.48972133758838     
  O     -7.94280656     -2.50111258      5.98683451
  H     -7.09145242     -2.12300137      6.23630452
  H     -7.29002279      0.76923766      2.72005154
  O     -7.95077881     -3.87191945      3.62965294
  H     -8.62014606     -1.84106718      6.17466363
  H     -4.86706518     -1.47501775      5.66068361
  O     -5.57270898      0.83486101      0.24692445
  H     -7.98893215     -3.42384984      4.49255103
  H     -4.71665953     -1.84875035      7.15396224
  O     -6.40482342      1.02401980      5.85987935
  H     -8.45242454     -4.67595818      3.72658268
  H     -0.91960039      2.74307204      1.51066356
  O     -5.05593651      5.40000406      1.25683532
  H     -5.95691145      0.00368497     -0.05137502
  H     -2.17635859      3.38413435      2.15008490
  O    -10.09655196     -0.61876089      6.30910883
  H     -6.31625298      1.35004345      0.59980171
  H     -9.69308116      4.73828782      4.45675007
  O     -4.19101094     -1.45496649      4.05829401
  H     -6.71313482      0.69982819      4.99659188
  H     -8.42039318      4.09554790      3.86936468
  O     -4.12720666      3.24821727     -0.12527695
  H     -5.98827129      0.26507026      6.28524409
  H    -10.26361575      1.13581279      2.76904780
  O     -9.91433565     -0.55648931      3.49526298
  H     -5.05425229      6.16731838      0.69098745
  H    -10.07486004      2.65596770      2.95385310
  O     -7.11290295     -1.51978400     -0.24692412
  H     -4.77448648      4.64665234      0.70685346
  H     -6.82120576     -2.89708898      2.71701431
  O     -3.82057660      0.86615523      2.46847441
  H    -10.75746687     -0.68263795      6.99303655
  H     -6.44857220     -2.13579132      1.40172171
  O     -7.23175337      0.10226339      3.41501338
  H     -9.75815808      0.29428309      6.33146551
  H     -9.75007612     -0.94300446      1.66477240
  O     -5.31148465     -1.44542436      6.52793376
  H     -3.92648278     -0.65153867      3.59336470
  H     -9.99005413      0.05012494      0.53605537
  O     -1.87020065      2.68511412      1.54460235
  H     -4.78821744     -1.90741461      3.44598800
  H     -9.15425079      2.56439602      5.60869480
  O     -9.30313366      3.89875541      4.22275404
  H     -3.27888319      3.04146484      0.28693866
  H     -8.07394927      1.66566933      6.25036093
  O    -10.22469278      1.97394361      2.28679036
  H     -4.60861284      2.41232504     -0.17039921
  H     -3.67233581      4.99394704      2.57962874
  O     -6.20504386     -2.25719475      2.32556549
  H     -8.96046289     -0.38369476      3.53410598
  H     -3.59620547      3.98900053      3.74288906
  O     -9.57635403     -0.79323219      0.72386597
  H    -10.18187295     -0.69496839      4.40971905
  H     -5.29861385      2.20105512      5.01495714
  O     -9.02035212      1.87003447      6.26247606
  H     -7.24055174     -2.06583994     -1.01848193
  H     -4.51875324      2.03821585      3.68712198
  O     -3.05155760      4.53332378      3.15712574
  H     -7.99976193     -1.27195053      0.06795748
  H     -7.29604957      2.91154050      1.98660556
  O     -4.84317188      2.69475445      4.32071490
  H     -4.41287710      0.76435101      1.71102733
  H     -8.55516145      2.07537155      1.62924254
  O     -7.59832023      2.13503848      1.49857388
  H     -3.05081550      1.35736489      2.15528153
  H     -6.12483225      3.72490424      3.61437361
  O     -6.77930135      4.24468658      3.12293200
  H     -6.80429615     -0.68460952      3.05096526
  H     -6.28450087      4.77675799      2.48653489
          69
 Energy    -248.48963643869897     
  O     13.48955896     10.84626143    -14.92459062
  H     13.28926891     10.16353008    -14.25856935
  H     18.18198659     11.32187617    -16.87165567
  O     16.83045457      5.43681776    -14.60101398
  H     12.71079861     11.39222050    -14.99644564
  H     15.90275029      8.35432659    -15.60427732
  O     19.16439140      9.45327921    -11.99805418
  H     16.78923016      6.40235564    -14.69188102
  H     17.46615177      8.30790666    -15.48696982
  O     19.95569888     11.04151235    -16.33860057
  H     16.61095194      5.08983990    -15.47329489
  H     13.46763345      8.73421092    -12.34901683
  O     13.70442572      6.18781464    -16.35152814
  H     18.22277582      9.47741540    -12.22905419
  H     12.76665870      7.94738833    -13.46106900
  O     15.05266522      5.69400863    -12.44300888
  H     19.19288874      9.00286072    -11.14365219
  H     16.61373108      5.58713465    -11.22894879
  O     16.51650057      9.47947691    -12.68774629
  H     19.74405616     11.26626131    -15.41375575
  H     18.10806927      5.40033332    -11.51784729
  O     17.44182636      7.19774516    -18.17895893
  H     20.78958145     11.45641323    -16.53915841
  H     11.83366158      5.61474835    -13.89963764
  O     19.11464554      8.34729600    -16.26185833
  H     14.46305785      5.70938120    -16.70367484
  H     13.02057863      6.07287779    -14.78123954
  O     16.14039110      4.99445643    -17.28044333
  H     13.87834467      7.12453993    -16.52401414
  H     19.24200694     10.96290370    -13.13458513
  O     20.07204400      7.52974784    -13.86160541
  H     14.17428996      5.72311326    -12.84558491
  H     18.18202661     11.81825933    -13.88196611
  O     17.22236127     11.32784566    -16.97172867
  H     15.66280034      5.53377829    -13.17606450
  H     19.49662970      4.14672708    -13.31676413
  O     16.63735150      8.12282149    -15.02307530
  H     16.53472570      8.93608930    -13.49217757
  H     18.29866487      5.05712849    -13.67915474
  O     12.95951373      8.84410311    -13.16134845
  H     15.92054592      9.05572848    -12.06165870
  H     18.29999314      7.12035316    -10.08303180
  O     17.48730923      5.70754975    -10.84301303
  H     16.98199188      7.98760847    -18.48542860
  H     19.22759711      7.57711198     -8.94774700
  O     12.66516173      6.08039146    -13.87353289
  H     18.14086796      7.51612805    -17.59004153
  H     16.51699103     10.30222428    -18.13808192
  O     19.12323060     11.61803445    -13.83576068
  H     19.44812271      9.24431068    -16.37908013
  H     15.96163782     10.12052193    -19.57287227
  O     19.05446358      4.95672896    -13.07511881
  H     19.53486471      7.99648727    -15.46008612
  H     14.97563387      7.94683163    -10.14767668
  O     18.77820857      7.88821593     -9.72960098
  H     16.22455642      4.30890547    -17.93730041
  H     14.87676566      7.21606042    -11.50636546
  O     16.07762569      9.67217510    -18.74005646
  H     16.61001506      5.77383492    -17.63015612
  H     16.31811368     10.93411951    -13.69137093
  O     14.73604608      8.06945603    -11.06347955
  H     19.83477350      8.18476871    -13.19118845
  H     15.25537581     11.58337928    -14.56723174
  O     16.19287172     11.63690600    -14.34752363
  H     19.82910610      6.66834401    -13.50631092
  H     14.10050050      9.59438452    -16.16061567
  O     14.45620839      8.83878217    -16.64475959
  H     16.86154902     11.45580197    -16.08485901
  H     14.90416494      9.16435355    -17.43658489
          69
 Energy    -248.48962521328428     
  O      1.22875378     -2.04583739      6.67781939
  H      1.55928671     -2.94899646      6.59702747
  H      6.11122656     -2.84495407      4.50265236
  O      1.12847533      1.53803963      7.01651782
  H      1.83715847     -1.55442160      7.24667356
  H      5.15318773     -3.23718309      6.52629976
  O      5.16051019     -1.02891499      1.71808736
  H      1.77122431      2.21142188      6.76074534
  H      4.70154172     -3.23911555      8.00464469
  O      1.58229289      0.92279333      2.53101937
  H      1.61947824      0.88472501      7.52659569
  H      6.73685981     -1.35074322      6.92674747
  O      1.02388337     -2.82368312      1.64098925
  H      4.30305221     -0.99297656      1.27524808
  H      6.20579882     -0.00696211      7.46491907
  O      2.30746874     -4.61952391      6.21549047
  H      5.31893395     -1.95317498      1.94563979
  H      5.00916026      0.84588701      5.82690218
  O      5.46519650     -3.65817388      2.86998630
  H      0.61440036      0.92368784      2.56723060
  H      4.42831349      1.99052434      6.68964183
  O     -1.38983119     -2.15155085      2.97358771
  H      1.86411925      0.40576125      1.76680368
  H      3.25934134      3.13459623      5.28263850
  O     -1.25367149      1.20822220      5.74228723
  H      0.19255274     -2.61043982      2.08415915
  H      3.26563838      4.28188832      6.32323333
  O     -1.29019523     -1.62148159      5.62065706
  H      1.58085232     -3.26082003      2.29743176
  H      5.25342177     -2.11939722     10.30487035
  O     -1.09405979      0.71193739      2.92690408
  H      2.06738947     -5.45867497      6.59752348
  H      5.62256466     -1.56568984      8.90706049
  O      6.13459853     -2.26439799      5.27289550
  H      3.17158798     -4.36669643      6.59280568
  H      1.89058712     -1.15768914      5.17234302
  O      4.62665231     -3.72344413      7.17446457
  H      4.52652019     -3.70971052      3.11971057
  H      1.97906790     -0.31076474      3.84031053
  O      6.67215916     -0.81354438      7.72564157
  H      5.68814523     -4.49007529      2.46020650
  H      2.61124664     -4.05686109      4.47264250
  O      4.90952794      1.15549974      6.73874357
  H     -1.35669451     -2.04132909      3.94085486
  H      2.73207321     -2.63359291      3.86960026
  O      3.18920055      3.33605442      6.23396468
  H     -2.21765018     -2.58376421      2.77818519
  H      2.75210144      2.11824728      3.23096319
  O      4.91476111     -1.99395213      9.42284971
  H     -1.86983222      1.79708133      6.17057400
  H      4.18300324      1.86259680      3.70541701
  O      2.43650859     -0.94693726      4.40591551
  H     -0.39857963      1.33214422      6.19007268
  H      1.97612020     -1.58989005      0.88338461
  O      2.84261060     -3.57647301      3.66822895
  H     -1.39787086     -0.66813250      5.72893090
  H      2.38520348     -0.80865494     -0.38875531
  O      3.50016139      2.54091907      3.67806490
  H     -0.46680126     -1.83966566      6.07858924
  H      3.62538634      0.10692015      7.58111114
  O      2.53321163     -0.86268200      0.55200607
  H     -1.19908079      0.94314541      3.85926055
  H      3.50649753     -0.94943494      8.68960052
  O      2.98231506     -0.41505070      8.08115378
  H     -1.27575315     -0.23356535      2.85958175
  H      5.16852545     -0.19708968      3.28128442
  O      4.94678454      0.07008875      4.18629644
  H      5.77622351     -1.42515396      4.95521990
  H      4.04794549     -0.26349627      4.34670764
          69
 Energy    -248.48961558506852     
  O     -0.64169564      4.48454655      2.73497405
  H     -1.53584828      4.27111586      2.44393342
  H      0.40410455      2.58478787     -2.96257095
  O     -2.87286835      6.22747913     -0.22118390
  H     -0.12038139      4.55267899      1.91867445
  H      0.15348879      7.86904527     -1.83490637
  O      3.99251957      6.78431673     -0.24847168
  H     -2.80948670      5.50321978      0.41740396
  H     -0.04219072      6.51172409     -2.47776301
  O      1.62836995      7.35657309      0.98913049
  H     -3.53378272      5.93407072     -0.86711939
  H     -3.75509281      1.51861656     -2.01164707
  O     -0.86964290      5.03806553     -1.73644812
  H      3.17954124      7.09441150      0.18689958
  H     -3.00313373      1.18617212     -0.71472393
  O      2.65654737      2.70614400     -0.20468104
  H      4.56801228      7.54138988     -0.32490110
  H      3.73280032      4.36271979      2.89530586
  O      0.81711814      4.74293571      0.38673908
  H      0.78526879      7.71387119      0.68438452
  H      4.04571379      4.28344485      4.40777487
  O     -1.31590827      1.83265831     -0.15528904
  H      1.54230598      7.13116898      1.92977299
  H     -4.91291090      4.22260371     -1.23161844
  O     -2.84556141      3.79727751      1.21407876
  H     -1.66719734      5.40655590     -1.34092525
  H     -4.05782825      4.13902075     -2.50316781
  O     -0.87127277      8.20193536     -0.04697021
  H     -0.23762388      4.92229726     -1.00867846
  H     -2.25722738      2.55621414     -3.34842623
  O      1.00369991      0.89778374      1.17544744
  H      2.55438684      2.67302015     -1.16407931
  H     -3.36546555      2.49658438     -4.41960537
  O     -0.54011734      2.61845838     -2.77612879
  H      2.14479577      1.98515106      0.18405914
  H      0.46532077      3.11050421      3.27285842
  O      0.47746527      7.32507485     -2.55867406
  H      1.51951864      4.10168647      0.22575088
  H      1.97571679      3.02044443      3.54814425
  O     -3.87346781      1.13513970     -1.13299652
  H      1.21840663      5.60654831      0.54850693
  H      2.40801947      3.95184516     -2.85901416
  O      3.32881614      4.32870992      3.78076268
  H     -0.56751483      1.46811369      0.33167576
  H      2.87437965      2.71725178     -3.66369321
  O     -4.48423990      4.76462698     -1.90682031
  H     -0.99300410      2.05622122     -1.03825268
  H      0.52603565      5.81436794      3.42569739
  O     -3.21694323      2.61382633     -3.48411934
  H     -2.28830684      3.15973327      0.74431949
  H      2.03825312      5.73143514      3.69164052
  O      1.20219245      2.48628527      3.33139998
  H     -3.75872443      3.55265636      1.02261338
  H      4.32065680      5.21035011      0.74651576
  O      2.27136314      2.99292357     -2.97820804
  H     -1.29287000      9.03873430      0.13711718
  H      3.87291463      3.73088570      0.72687178
  O      1.32463294      6.35393354      3.50204088
  H     -1.58562670      7.54614412     -0.08322508
  H     -4.91308864      2.23909827     -0.26003187
  O      4.32274693      4.39680663      1.26478401
  H      1.14219120     -0.01256887      1.42268306
  H     -6.18829056      2.66503182      0.50899737
  O     -5.35141844      2.98652753      0.18574398
  H      1.08211296      1.42669847      1.99141781
  H      1.98199654      6.27707831     -2.62890371
  O      2.68778236      5.62334785     -2.52369829
  H     -0.70805917      3.53154419     -2.48052726
  H      3.23986094      5.95561067     -1.80750277
          69
 Energy    -248.48945848752248     
  O      0.72967720      0.32747399      3.13803719
  H      0.75259015      1.28329830      3.26603821
  H     -2.53384632      0.37806009      7.11356699
  O     -2.62801323      0.01407891     -3.40291173
  H      1.18084580      0.11442843      2.30659516
  H      0.12252252      3.34531979      1.64444215
  O     -0.37859800     -1.43773862      4.98312988
  H     -1.80027825      0.39481893     -3.07890596
  H     -0.82451327      2.93676610      0.49208535
  O     -4.24370051      0.26763573     -1.17244170
  H     -2.50208333     -0.94027636     -3.33876737
  H     -2.94048880      1.31805266     -0.37360819
  O     -2.20179008     -2.75635352     -2.63998819
  H     -0.86848031     -0.82131851      5.53831102
  H     -1.44137066      1.35017826     -0.69802568
  O     -0.04509979     -1.87593615     -0.95352507
  H      0.14697205     -0.88714820      4.38532611
  H     -0.97581638      0.19496870      2.56168927
  O     -4.28996843     -2.84470683      3.67895059
  H     -3.82803030      0.31785473     -2.04518567
  H     -1.97446706      0.66593783      1.45567753
  O      0.31725728      3.10670908      3.48743512
  H     -4.08923406     -0.63847134     -0.87258043
  H     -3.01002436     -2.50077964      0.22290786
  O     -0.29568962      0.72085183     -1.96378426
  H     -2.40107825     -3.55504045     -3.12256408
  H     -4.55540348     -2.48367715      0.17607973
  O     -4.82716312      2.21472081      3.28564507
  H     -2.83407436     -2.71280822     -1.90327098
  H      1.92800097      0.52261281      0.14470486
  O     -3.76424921     -0.17862125      4.18174523
  H     -0.59859978     -2.25577623     -1.64687970
  H      1.34098194     -0.90333440      0.10401616
  O     -2.12937843      0.46559877      6.25376890
  H     -0.47724849     -2.12767930     -0.12394363
  H     -3.00305571      2.63689251      4.01649435
  O      0.01997549      3.36495553      0.68524080
  H     -3.41256500     -3.23650996      3.75163606
  H     -2.13294292      2.06951386      5.16069801
  O     -2.09313717      1.64119439     -0.04310094
  H     -4.18542648     -1.92610361      3.96805787
  H      2.52981716      2.73927740     -1.17980851
  O     -1.86903119      0.07286230      2.21139410
  H      0.76858975      3.74256846      4.03655929
  H      1.25463051      2.64980029     -0.30396851
  O     -3.76692551     -2.42548560     -0.37753682
  H     -0.59061977      3.03481351      3.83217746
  H     -1.11833422     -4.40438363      4.20686230
  O      1.78628630     -0.27033838      0.67758985
  H     -0.16045364     -0.17277794     -1.61619566
  H     -1.10268204     -2.86111362      4.28311811
  O     -2.17672786      2.76724955      4.49496246
  H      0.50261457      1.22466787     -1.76519633
  H     -1.69207205     -1.55798131      1.59732914
  O      1.86534819      2.13463783     -0.86250940
  H     -5.51456821      2.86117318      3.42359671
  H     -1.49211166     -3.01166066      2.08092876
  O     -1.52391936     -3.62182568      3.84348702
  H     -5.09258325      1.69766708      2.50328115
  H     -5.29748170     -2.56429808      2.29294066
  O     -1.56566500     -2.46891852      1.28824024
  H     -4.32283704      0.59119959      4.01897281
  H     -6.67025595     -2.73959711      1.60149621
  O     -5.82496489     -2.30655279      1.51575106
  H     -3.08108349     -0.14545457      3.49114605
  H     -5.73599185     -0.35528235      1.42390395
  O     -5.59007013      0.58215071      1.25255869
  H     -2.78108233      0.14929481      5.60316007
  H     -5.25115100      0.62712191      0.34871796
          69
 Energy    -248.48918339956066     
  O     -6.23018560      2.54872306      0.01488522
  H     -5.30691807      2.83735763      0.00402578
  H     -5.33404346     -0.99851248      3.64100200
  O     -5.32088089      2.08194289     -4.01051563
  H     -6.53608966      2.62051390      0.92793374
  H      0.05200096      0.86139307      5.57584570
  O     -6.84757762      2.58303931      2.72943622
  H     -6.08681534      2.39775583     -3.50063618
  H     -0.31823741      0.22031540      4.21462608
  O     -2.54697359     -2.36550310      2.61222469
  H     -5.48222403      2.31121880     -4.92215676
  H     -0.32714265      2.35898204      3.45128483
  O     -3.74033134     -1.52099690      0.20739025
  H     -7.52546642      2.99481742      3.25807920
  H     -0.11201349      2.24528854      1.93540241
  O     -5.34095569     -0.59074589     -2.90489666
  H     -5.99361100      2.93181130      3.04509885
  H     -3.32453520      2.29595757      0.46877287
  O     -6.20248952     -0.28028149     -0.28628954
  H     -3.24896827     -2.12403674      3.22741985
  H     -3.13613579      3.81922450      0.58655328
  O     -2.56778434     -0.53306615     -2.11920206
  H     -2.93350600     -2.25647919      1.73325600
  H     -1.12447733      0.77494875      0.90306953
  O     -2.95212448      2.24123970     -2.51459992
  H     -3.27704630     -1.30220555     -0.61332754
  H      0.01349446      0.45400696     -0.10965259
  O     -0.16428198     -0.99048505      3.02053657
  H     -4.65013713     -1.21492536      0.09291932
  H     -3.64705823      0.20843870      4.30697120
  O      0.23118717     -0.12310393     -1.90142451
  H     -5.38199257      0.24727038     -3.38043452
  H     -2.29400226      0.98816176      4.47261134
  O     -4.66293097     -1.32855307      4.26566391
  H     -4.40089210     -0.77559424     -2.78723470
  H     -6.62831092      0.68424949      2.66434454
  O     -0.49425324      0.97826332      4.80431932
  H     -6.19582036      0.68219392     -0.20232361
  H     -6.47723694     -0.41041144      1.58841878
  O     -0.32159350      2.87623826      2.63747710
  H     -6.04556615     -0.46535185     -1.22397023
  H     -3.21627227      0.00738853      1.03024353
  O     -3.52366753      3.13819449      0.02550475
  H     -1.60666379     -0.60435781     -2.09404510
  H     -2.97938934      0.90581293      2.28862386
  O     -0.16197132      0.76117935      0.78567811
  H     -2.75072185      0.41264552     -2.21319498
  H     -1.57549584      4.03286561      2.26781860
  O     -3.19265574      1.04035705      4.12214005
  H     -3.15372149      2.64115690     -1.65656102
  H     -1.96051446      5.52710624      2.19169005
  O     -6.45563374     -0.25703015      2.54109599
  H     -3.75093735      2.26714724     -3.05579302
  H     -7.04706281      2.80353028     -1.54097983
  O     -2.88627168      0.86407879      1.32881683
  H     -0.02340348     -0.50498408      2.19819786
  H     -8.31462368      2.57808994     -2.38242614
  O     -2.29931108      4.64750392      2.04931633
  H     -0.94954711     -1.54199608      2.88607195
  H     -4.00325671      2.62421438      3.85958172
  O     -7.40272686      2.85226278     -2.44375539
  H      0.15636519      0.72536592     -2.37246591
  H     -3.76326938      3.93325522      3.08059481
  O     -4.43706588      3.43568246      3.55588133
  H      0.99453531     -0.57230003     -2.25500831
  H      0.07511094      3.16344446     -3.10330155
  O     -0.25991835      2.27037386     -3.11055322
  H     -5.12758295     -1.84205632      4.92077456
  H     -1.21784599      2.33974966     -2.96490649
          69
 Energy    -248.48884522705964     
  O     10.64351673      9.89807336    -15.07893007
  H     10.87859788     10.61689185    -14.47403790
  H     18.70727565      8.27865474    -16.38181782
  O     15.40990573      8.05862620    -11.46824835
  H     10.83171449      9.08329746    -14.59936253
  H     16.46692594     11.30855508    -17.92424908
  O     16.48537127     12.10066399    -14.90106343
  H     15.82729392      8.92196053    -11.35200084
  H     15.10271338     10.77531981    -17.43199803
  O     11.60617042     10.72468991    -17.44915637
  H     15.80136587      7.68195543    -12.26484209
  H     11.78316254     11.83199940    -12.47344159
  O     14.25390117     10.78274828    -13.77874791
  H     16.95984320     11.29258865    -14.65329101
  H     11.84970947     12.77461924    -13.71609526
  O     14.03837034     13.77218654    -11.89130910
  H     16.25155300     12.01521508    -15.83407248
  H     16.46725619     11.69311243    -11.72698886
  O     12.72813592      8.82901042    -11.41164946
  H     11.22427672     10.39174328    -16.61633544
  H     15.43802823     10.71295152    -12.31531332
  O     12.72704281     14.27798402    -14.38806329
  H     10.89470574     10.76225095    -18.08249383
  H     11.89264630      8.09256960    -12.72484803
  O     16.31727042      8.05293864    -18.45061249
  H     13.38717052     11.20040675    -13.72359849
  H     11.07878282      6.87881429    -13.23316920
  O     17.67535386      6.66025708    -16.55232061
  H     14.84691493     11.36383854    -14.27052533
  H     12.65546814     12.21583506    -16.91853306
  O     16.38905652      7.39085692    -14.14341099
  H     14.99151851     13.75901559    -12.04097688
  H     14.13685718     12.61955866    -17.01244934
  O     19.00395625      9.19580393    -16.32361891
  H     13.64373748     14.03796049    -12.73134744
  H     17.41311408     10.13264230    -13.03985656
  O     15.65555590     11.57014694    -17.47130052
  H     12.74805958      9.75941606    -11.16798125
  H     17.27945452      8.95405136    -14.01499824
  O     11.62808567     11.88054146    -13.42625217
  H     13.64143000      8.50721355    -11.37218717
  H     16.69756588     13.09371566    -13.43288590
  O     16.20892039     10.76537918    -11.72826026
  H     12.35040076     15.11628814    -14.64290669
  H     17.54964860     14.00947465    -12.52395822
  O     11.51114950      7.67768589    -13.52114410
  H     12.97518785     13.82348203    -15.21328496
  H     13.97940734      8.87934887    -16.54761006
  O     13.28882822     12.88953873    -16.64039897
  H     16.86143340      8.82543680    -18.64487240
  H     13.16965390      9.72033724    -17.56277808
  O     17.71481842      9.81212888    -13.89869750
  H     15.45001468      8.39786993    -18.19820139
  H     13.18394012     12.43033584    -11.11122130
  O     16.76708137     13.46471488    -12.53627362
  H     17.14477312      7.08411380    -17.25071655
  H     12.31263920     11.93840471     -9.93512996
  O     14.02651545      9.30089933    -17.41824578
  H     17.97737069      5.82707627    -16.90393899
  H     18.67792527     10.65014834    -19.12714260
  O     12.60239438     11.70814729    -10.81442909
  H     15.49043798      7.61216419    -14.43173467
  H     18.40538159     10.03743865    -17.73271234
  O     17.97892110     10.41548559    -18.52301762
  H     16.83332733      7.00068596    -14.90605244
  H     13.08037153      7.93225198    -14.48338800
  O     13.89294165      8.29142755    -14.85813983
  H     18.73485368      9.49857775    -15.44678147
  H     14.02999311      9.15450940    -14.43536340
          69
 Energy    -248.48875957188815     
  O      9.26720160     11.95524080    -11.67860644
  H      9.99455173     12.03306806    -11.03441135
  H     11.82180228     11.10286584    -10.24077290
  O     14.11659192     10.42199836    -13.03798079
  H      8.46920745     12.21982413    -11.22973611
  H     10.07349076     10.46000541    -18.52193396
  O     17.30598167     12.91963945    -13.90200512
  H     13.80527241      9.86081493    -13.75830593
  H     11.47562763     10.88666855    -18.02627561
  O     14.92499201      7.66379581    -11.18984696
  H     15.08157048     10.36957925    -13.01268541
  H     14.44943921     13.43567232    -16.08808448
  O     10.78124731     12.61860486    -13.94611210
  H     16.52807577     13.02956322    -14.47136278
  H     14.36885704     13.12548878    -14.57025749
  O     13.31434491     14.01484606    -17.43684626
  H     18.00717482     13.41596871    -14.31730620
  H     14.21456828     14.15454812     -9.74531519
  O     14.96140748     10.39159721    -16.48766248
  H     14.89158353      7.35170851    -12.10338444
  H     14.27786618     12.63443102    -10.02400901
  O     14.77619112     11.01091151     -9.58933881
  H     14.06721716      8.06543548    -11.00975649
  H     16.89751640      9.23837448    -14.41912464
  O     13.37501282     13.02381394    -13.04234968
  H     11.65568590     12.83513076    -13.59331584
  H     16.17808967      7.94040762    -14.80788695
  O     13.19315744      8.78945360    -15.09911177
  H     10.18787624     12.49000352    -13.19583437
  H     10.79652643     10.92717961    -14.65636052
  O     16.91978818      9.32301300    -10.37779309
  H     12.40171239     13.87328987    -17.12556215
  H     10.57167460     10.18022673    -15.98844722
  O     11.42596295     11.96580929    -10.06645885
  H     13.30967939     14.82390549    -17.94112695
  H     14.53992847      5.98633315    -14.23108847
  O     10.54785579     10.76608574    -17.75386490
  H     15.02542970     11.24746206    -16.04448480
  H     14.11209198      7.46454152    -14.35996631
  O     14.92598828     13.02477934    -15.35566983
  H     15.66952254      9.82320475    -16.14972860
  H     13.25143141     12.24594662    -18.22776097
  O     13.85504991     13.46766935    -10.30008021
  H     15.58963761     10.52712727     -9.77557066
  H     13.82083879     10.86959408    -17.85810759
  O     16.67433857      8.67875101    -15.17744553
  H     14.05825962     10.40134317     -9.79797760
  H      9.81483449     10.11789807    -12.06118614
  O     10.75332130     10.04356193    -15.04979024
  H     13.55975566     13.34634331    -12.15285153
  H     10.39381288      9.36466771    -13.26095190
  O     14.74594533      6.86725876    -13.92705567
  H     13.61072840     12.08108218    -13.03682613
  H     17.07969958     10.14161997    -12.06656819
  O     13.13324883     11.30119315    -18.38369901
  H     12.29891801      9.15618891    -15.11154412
  H     17.14111236     11.27593169    -13.17209928
  O     10.31712337      9.32905936    -12.29969900
  H     13.74019210      9.31383904    -15.70276191
  H     10.71247642     13.24715086    -15.67234384
  O     16.88096812     10.36295294    -12.98339178
  H     16.25772272      8.66166187    -10.65244831
  H     10.56365421     12.57595791    -17.05159062
  O     10.80418686     13.40565665    -16.62222573
  H     17.55514550      8.86694848     -9.83279203
  H     13.23433279      9.85585493    -11.61471384
  O     12.69032885      9.49478704    -10.89522962
  H     12.15618432     12.59509559    -10.07711745
  H     11.83706487      9.27842062    -11.30019956
          69
 Energy    -248.48862027286779     
  O     12.74002396     11.88015778    -17.27836086
  H     13.52664345     11.81396304    -17.83235903
  H     15.68984293     10.79721307    -17.01535785
  O     18.57759853     10.02902406    -10.35917196
  H     13.05511238     12.09360797    -16.38890231
  H     16.31564256      8.61455249    -13.29153270
  O     17.85290513     11.87498162    -14.73139350
  H     19.26499693     10.41287442     -9.82204409
  H     15.09486345      7.89507396    -12.71208314
  O     16.21508381      5.83036893    -14.93460514
  H     18.86228302     10.11766566    -11.28779514
  H     11.82517013     10.41169219    -17.50093709
  O     13.97777462      8.81565463     -9.76276468
  H     18.21529136     12.52902563    -15.32463973
  H     10.57407812      9.68610745    -18.05282242
  O     14.73479562      6.06567862    -12.52033959
  H     17.20641432     11.36261581    -15.24328847
  H     18.22355073      8.15788389    -10.57593493
  O     12.92712222      9.87816944    -13.37851613
  H     15.77822445      6.52453462    -15.45829896
  H     17.20683288      6.99607565    -10.47525390
  O     13.92594094      8.68823380    -18.78360368
  H     16.39078772      5.10561074    -15.52906855
  H     12.05035250      6.92570378    -13.94073425
  O     15.48428259      6.39838240     -9.92534648
  H     14.50885419      8.01209226     -9.70383530
  H     11.85359624      7.16045656    -12.42412253
  O     14.94879726      7.87059425    -16.24142742
  H     14.58702988      9.52795439     -9.99643795
  H     16.59158011     12.48425664    -13.36735039
  O     19.17851647     10.11194139    -12.99090052
  H     13.78866853      6.10229895    -12.73224024
  H     15.79150636     12.08553190    -12.10967357
  O     15.81124540     10.57861232    -16.08169142
  H     15.22013646      5.83931537    -13.32219839
  H     17.52513319      6.98073228    -14.10605176
  O     15.42239381      8.76972240    -12.96068688
  H     13.83295045      9.55361936    -13.25560596
  H     18.00002768      7.42972518    -12.68877609
  O     11.42758749      9.53565517    -17.65576376
  H     12.41954305      9.58771814    -12.61109612
  H     16.78036348     10.47282705    -10.59932208
  O     18.01573367      7.27896544    -10.91739315
  H     13.01327170      8.86502092    -18.52130529
  H     15.73795071      9.95331041    -11.61646581
  O     12.11284832      6.49744752    -13.07678008
  H     14.33318224      8.24215128    -18.02976536
  H     15.48463557     11.39508349    -19.57963741
  O     15.79313745     12.68620090    -12.86577777
  H     15.20585441      6.17909631    -10.83200065
  H     14.71803867     10.24929980    -18.87548319
  O     17.93178569      7.70472427    -13.61953788
  H     15.36709816      5.60849049     -9.40318981
  H     10.94852387      8.86245906    -10.64687361
  O     15.86961761     10.59113950    -10.89868117
  H     14.03432667      7.89010846    -15.92149075
  H     12.48674352      8.69883636    -10.62899697
  O     15.11549051     11.12890294    -18.74236540
  H     15.32000671      8.75139852    -16.09677432
  H     13.38008092     11.37825554    -14.24019175
  O     11.69658907      8.64745258    -11.19720024
  H     18.80409172     10.77194583    -13.58666910
  H     14.48038058     12.44831959    -14.08013055
  O     13.86854587     12.06050537    -14.72304903
  H     18.88517282      9.25431454    -13.32970989
  H     12.45019310      8.80421433    -14.72786045
  O     12.31146348      8.11935524    -15.40025221
  H     15.12286422     11.05561184    -15.59396814
  H     11.88716201      8.54520402    -16.15514736
          69
 Energy    -248.48853607020550     
  O     -7.26581216     -2.15568366      6.29688417
  H     -6.33418746     -1.97278135      6.13461199
  H     -8.06564045      0.50882736      4.30101328
  O     -9.07625576     -2.66269223      4.36913115
  H     -7.59561862     -1.42196143      6.83754851
  H     -4.53857820     -1.45254103      4.77116742
  O     -6.30237899      1.09074351     -0.26243195
  H     -8.41485991     -2.53950809      5.07732401
  H     -3.81017265     -1.83613330      6.08220119
  O     -5.24600257      1.33411456      5.58900005
  H     -9.55421255     -3.46015099      4.57840425
  H     -2.34095145      3.22448548      0.77831132
  O     -5.15398972      5.59810267      0.66659144
  H     -6.91051621      0.36205016     -0.42441659
  H     -1.37370330      2.46948954     -0.16574548
  O     -9.94197071      1.20524986      1.00804363
  H     -6.74621219      1.65309479      0.39371655
  H     -7.85598865      4.08479600      4.20198972
  O     -8.35934433      0.09289472      7.49195235
  H     -5.84191271      1.71816350      6.24491115
  H     -9.13565609      3.21484351      4.31748115
  O     -4.61634604     -1.50667549      3.03601949
  H     -5.00971048      0.43299174      5.84227107
  H    -10.51078871      1.75469780      2.57346524
  O     -4.78557594      3.39515468     -0.91041677
  H     -5.24347897      6.36916407      0.11267233
  H    -11.52286751      2.55383241      3.42351418
  O     -9.69748036      0.04712253      5.05745493
  H     -5.08872538      4.83276610      0.06790471
  H     -7.26651807     -0.83065992      2.79151674
  O     -4.11199506      0.76998128      1.44472232
  H     -9.59292973      0.42136291      0.57241592
  H     -7.97196407     -2.18807159      2.94196249
  O     -7.28254767      0.66744807      3.75774393
  H     -9.17048487      1.78112681      1.12823830
  H     -8.49838862     -1.70468535     -0.65994262
  O     -4.57405501     -1.37786464      5.74229741
  H     -8.97135062      0.10627147      6.74113860
  H     -7.97455103     -1.28239968      0.73115354
  O     -2.27277386      2.48299533      0.15010951
  H     -7.97198592      0.97486224      7.50734909
  H     -7.15010059      3.38777988      7.69585117
  O     -8.45389326      3.65979950      4.83051093
  H     -4.34118104     -0.75817638      2.48984877
  H     -7.68695868      3.03229432      6.29188972
  O    -10.68704270      2.09601679      3.46752606
  H     -5.49018890     -1.76333526      2.71776507
  H     -3.23438949      3.95361030      2.59797642
  O     -7.38585539     -1.69077627      2.35755557
  H     -5.35150273      2.61358904     -0.87936335
  H     -3.49258189      5.02861581      1.53106999
  O     -8.30324677     -0.94358906     -0.11913833
  H     -3.89602937      3.07842190     -0.70987114
  H     -4.55933939      2.31906292      4.27415498
  O     -7.20742009      2.67798666      7.06144036
  H    -10.19450936      0.65818125      4.49830948
  H     -4.34701895      2.06694564      2.75962920
  O     -2.79605349      4.48315380      1.91587625
  H     -9.73453565     -0.84281509      4.68685702
  H     -7.26331783      3.29811870      2.01004022
  O     -4.38706884      2.76079260      3.43175084
  H     -3.37801373      1.21046895      0.99801343
  H     -7.50280483      1.83044197      2.43419331
  O     -7.59912823      2.45186886      1.69536833
  H     -4.85915738      0.79505714      0.83036934
  H     -5.73070151      3.97728011      3.21831285
  O     -6.44091369      4.59030137      2.97126493
  H     -6.55406362      0.87977192      4.35248071
  H     -6.09170384      5.10745524      2.23433535
          69
 Energy    -248.48821039702926     
  O     20.30557652     10.39030252    -10.63109386
  H     21.14370910     10.16588975    -10.20672016
  H     19.83072974     11.07196597    -12.27748078
  O     18.27107896      7.13893504     -9.41469954
  H     19.59128045     10.35381510     -9.98192384
  H     22.64136700      8.51987712     -9.49011130
  O     18.05560042      4.10799340    -11.47099081
  H     18.90126008      7.28632614    -10.13988142
  H     23.55889289      9.76230422     -9.46853461
  O     19.90116988      4.92625315    -13.56332230
  H     17.47625354      6.77911144     -9.82569110
  H     19.20508144      7.59767842    -13.15095304
  O     22.33672561      6.95674144     -8.78529577
  H     17.37734072      4.77998924    -11.30102940
  H     19.58759666      8.15944306    -14.52308970
  O     16.22236287      6.14540306    -10.99396895
  H     17.58690907      3.29818205    -11.66476326
  H     19.49462859      4.01703179    -10.21103956
  O     22.05195452      6.14185598    -12.35620734
  H     19.51831978      5.72861089    -13.94406723
  H     20.05574960      4.54311301     -8.86488563
  O     15.07505450      9.89119753     -9.13993773
  H     19.27653755      4.62607815    -12.89290181
  H     14.57667260      8.28282826    -12.82830268
  O     22.81520007      4.53079457    -10.19891475
  H     21.54897314      6.69405883     -8.29492102
  H     13.84605408      9.49781701    -12.22278277
  O     19.90063729      7.72414709    -11.47325161
  H     22.64128772      6.15665538     -9.23077193
  H     17.35510275     10.25950202    -11.08566963
  O     17.83592798      9.89343415     -9.31706228
  H     16.32655724      6.73881240    -11.75392625
  H     17.81493930     10.77102653    -12.48817466
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  H     16.64356366      8.82513883    -12.69128259
  O     22.79541088      9.38877663     -9.90111560
  H     22.41378991      5.56307293    -11.67543392
  H     17.20682646      7.74579799    -13.63318741
  O     18.98497336      7.54052567    -14.09464237
  H     21.39260283      5.63099758    -12.85011734
  H     22.65503083      7.81777583    -12.72712897
  O     20.24318287      3.95389183     -9.60640517
  H     14.70432564      9.01205569     -9.27881654
  H     22.85055004      9.08507344    -11.87691568
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  H     14.74479591     10.42620367     -9.87241470
  H     14.28532598     12.09923878    -11.89612119
  O     17.05573401     10.43852849    -11.98658359
  H     23.38208067      3.77160492    -10.09773350
  H     15.40072985     11.03000878    -11.83317540
  O     16.44787545      7.95723496    -13.07498638
  H     21.90533283      4.23321686    -10.01445432
  H     21.63738384      9.25751478    -14.06598106
  O     22.75243605      8.78042227    -12.78468583
  H     20.70752904      7.22589856    -11.65908250
  H     21.46160051      9.69562729    -15.53599254
  O     14.46212745     11.19896478    -11.63682109
  H     20.13411915      8.64804936    -11.31594849
  H     19.57192641      6.00572900     -6.72376959
  O     20.97514154      9.46122101    -14.74993535
  H     16.89781612     10.00649158     -9.10292001
  H     19.25931858      6.42861035     -8.17995898
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  H     17.99903259      8.94256542     -9.25044739
  H     13.75480530      7.74652464    -10.83698728
  O     13.90785656      7.33928315     -9.96439540
  H     19.89624425     10.69813584    -13.77074685
  H     13.05846919      7.04574516     -9.64554775
          69
 Energy    -248.48764222506566     
  O     -8.00485697     -3.50773835      5.94146360
  H     -7.36155950     -2.82803374      6.21282560
  H     -4.58970489      1.41682043      2.53887432
  O     -9.37043075     -1.94282130      2.27692418
  H     -7.94787279     -4.20802798      6.58702923
  H     -8.06366089      0.05283514      4.45346045
  O     -7.56892032     -3.89353896      3.16339461
  H     -8.75036984     -1.40721398      2.79864100
  H     -6.75882136     -0.56495514      3.83990901
  O     -5.57861837      1.64832569      1.03995865
  H    -10.24017005     -1.82541577      2.67926986
  H     -6.35773714     -0.70757046      6.94106955
  O     -6.70531316      1.13568800      7.34942573
  H     -7.69476164     -3.82889342      4.11876527
  H     -5.66342919     -1.47433803      5.79360864
  O     -5.77111541      5.69043652      2.55692204
  H     -8.29099791     -3.38661819      2.76966948
  H     -1.38345118      3.58565810      2.67182320
  O    -10.21655211     -1.71243365      6.09626900
  H     -5.56413521      0.76082765      0.64938249
  H     -2.84494454      3.68760545      2.16833173
  O     -5.02704988     -1.14818589      4.11650662
  H     -6.50054706      1.82162304      1.25607802
  H    -10.07421577      1.54302987      2.92401457
  O     -4.07821266      4.02611733      0.97738565
  H     -6.52395588      1.58632780      8.16994842
  H    -10.16123239      1.29543486      4.44289954
  O    -11.68607042     -1.24353643      3.64581172
  H     -6.30667151      1.67117188      6.64077805
  H     -6.09355718     -3.38208538      2.41570898
  O     -5.92494611     -0.90715588      0.16224220
  H     -5.91838593      6.63260443      2.56201268
  H     -4.73406202     -3.72840384      1.76180049
  O     -4.05973581      1.30315521      3.34214775
  H     -5.19656290      5.49213996      3.31834929
  H     -9.06869753     -1.15141144      0.71620083
  O     -7.65018868     -0.26037316      3.63721625
  H    -10.76408220     -1.72655615      5.30260057
  H     -9.33978789     -0.83655406     -0.77500419
  O     -6.20830966     -1.59056209      6.58533883
  H     -9.54403212     -2.39760898      5.99295704
  H     -8.35317888      0.92759728      6.47337954
  O     -2.28949780      3.44985849      2.93392088
  H     -4.54237687     -0.35359795      3.85288876
  H     -9.46429104     -0.10419650      6.07880242
  O    -10.68053846      1.28605759      3.62464952
  H     -4.97684032     -1.78702863      3.39442339
  H     -4.65420532      4.13447581      5.00626099
  O     -5.28998372     -2.99807399      2.02082995
  H     -4.69204587      4.65786915      1.37344792
  H     -3.40522727      4.43587740      4.15480650
  O     -8.79458993     -0.59288282     -0.03136122
  H     -4.58752940      3.21726207      0.83037192
  H     -6.43529968      2.91784048      4.70091249
  O     -9.04266459      0.73419618      5.82920677
  H    -11.41216860     -0.30834756      3.62477603
  H     -5.13944227      2.06109562      4.64021673
  O     -4.15539292      4.85327083      4.59718377
  H    -12.63824863     -1.25288213      3.60279649
  H     -8.60415705      1.02606556      1.00562015
  O     -5.72301659      2.54108416      5.24219073
  H     -5.72893366     -1.64603868      0.75083577
  H     -8.05656719      0.97299802      2.44670674
  O     -8.37533565      1.58354800      1.75886597
  H     -6.87903995     -0.90821160      0.01965872
  H     -7.04993877      4.37837194      3.07388593
  O     -7.52210995      3.65882307      3.51228837
  H     -3.32384313      1.92290476      3.27615306
  H     -7.92143410      3.11946120      2.82127858
          69
 Energy    -248.48740240614651     
  O     11.08828586      8.94792028     -8.55963090
  H     10.26447885      8.75896512     -8.11662732
  H     12.66225374     11.97751712    -13.98875338
  O     13.46281330      8.92943176    -16.50869096
  H     10.89019070      9.60746547     -9.24585471
  H     17.19157166     11.10798921    -10.44105417
  O     12.41750637      7.14538028    -10.42021306
  H     12.88613345      8.17091234    -16.34722456
  H     17.22607193     10.24994090    -11.73711053
  O     14.71635264      8.80491600    -14.08781681
  H     12.87274167      9.68385964    -16.62610544
  H     17.52246117      7.91820383    -12.77576278
  O     11.51577181     11.05786795    -16.64367819
  H     11.94401376      7.65767289     -9.75526078
  H     16.14575478      8.55539157    -13.07550016
  O     12.29321974      7.91044019    -13.04395263
  H     13.35440175      7.35744293    -10.30216808
  H     15.38041532      8.26228500     -9.39812218
  O     15.76705382      8.64721970     -7.64556317
  H     14.45499550      8.85761312    -15.01916852
  H     15.74684515      8.17130891    -10.91957585
  O     13.59923538     10.49630128    -10.88266056
  H     13.93735715      8.47090224    -13.61847826
  H     16.59073864     12.54443948    -12.01886782
  O     13.43823788      9.96525407     -7.28274151
  H     11.35150116     11.68919823    -17.34013525
  H     16.75419443     13.80405832    -12.90435429
  O     14.01546325     14.29505790    -10.79776169
  H     11.56002135     11.56522644    -15.81628384
  H     10.83693449     10.76609237    -13.54327792
  O     10.87826465     10.72828542    -10.62623134
  H     11.65857936      8.63951662    -13.07178211
  H      9.97742607      9.57683714    -14.02649247
  O     11.74690576     12.24378429    -14.16683178
  H     12.29016178      7.55981652    -12.14205888
  H     13.97725083     11.58246425     -9.53480604
  O     17.30215405     11.14920728    -11.40383032
  H     16.01938675      8.14408032     -6.87669781
  H     14.08383077     13.08245175     -9.26796351
  O     16.84864456      8.48398537    -12.40696678
  H     14.91943646      9.08120509     -7.43453666
  H     14.98414833     12.04049414    -13.23469728
  O     15.01837722      8.15575668    -10.28806204
  H     13.84168968     10.82138005    -11.75801394
  H     14.57621398     10.59706332    -13.74332447
  O     16.11005881     13.29273693    -12.42211465
  H     14.07830299      9.67556276    -10.71141172
  H     10.29364994      8.17426772    -15.77576724
  O     10.40067647      9.95666078    -13.24387144
  H     12.62059797      9.62295056     -7.66410779
  H     10.25552656      9.66089984    -16.16897098
  O     14.15186841     12.22821960     -8.83051818
  H     13.56942039     10.85016976     -7.64816329
  H     16.58198760     10.27149981     -8.27574117
  O     14.24736858     11.45193816    -13.43538427
  H     14.12210539     15.24239006    -10.73841529
  H     15.93222773     11.60998989     -8.65665029
  O      9.74549735      8.96771230    -15.73032876
  H     14.73904890     13.97133628    -11.35562433
  H     11.11972904     12.62460592    -11.16913172
  O     16.75778483     11.11085920     -8.71590495
  H     11.84162968     10.63508091    -10.70911510
  H     12.23084498     13.68539616    -11.34540141
  O     11.38150071     13.39086267    -11.69399111
  H     10.51007904     10.41187788    -11.46289653
  H     11.65127563      5.93407583    -15.55573046
  O     11.71055264      6.88563338    -15.53498560
  H     11.48979942     12.78798921    -13.40906633
  H     11.91646459      7.13281942    -14.61724870
          69
 Energy    -248.48730510606731     
  O     16.56446579      9.52983986    -15.53496237
  H     17.18537600      9.48558978    -14.80039494
  H     15.44012421      2.63485458    -16.83115868
  O     13.30716300      4.75179489    -16.82798495
  H     15.75502506      9.07482924    -15.25823718
  H     19.22874841      3.60267065    -16.70642258
  O     17.67044015      4.71100747    -12.03503496
  H     13.69837790      3.92795913    -17.14222715
  H     18.23082265      3.02943634    -15.68099908
  O     19.10590108      4.48665436    -18.40387760
  H     13.79603911      5.45403975    -17.27398009
  H     18.45545624      7.51887893    -17.41205622
  O     16.46068024      4.45553538    -18.95193316
  H     17.35837019      5.57371089    -12.34980770
  H     19.11167108      6.10208605    -17.51329041
  O     14.90982868      7.44737516    -10.74065630
  H     18.51301669      4.55193213    -12.47465337
  H     17.60932165      6.18762876    -15.86143032
  O     13.66893074      5.40768966    -14.15485010
  H     19.60055691      4.21926446    -19.17383065
  H     16.61463067      6.32677344    -14.66277036
  O     16.60730436      7.07943332    -12.95124884
  H     18.16300076      4.44128948    -18.64485653
  H     14.25410355      7.74509204    -16.11278920
  O     16.38439591      3.13664308    -15.44282946
  H     16.01027455      5.25341862    -18.65011928
  H     14.04747841      7.20902940    -14.69739757
  O     12.74595163      5.76380514    -11.56388008
  H     15.91892018      3.71677786    -18.64659536
  H     13.33457326      4.26853771    -10.88469613
  O     20.02694435      7.19795989    -14.38846746
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  H     13.17959740      2.92953697    -10.12265919
  O     14.90443403      2.50273834    -17.63364943
  H     14.86656842      8.14651919    -10.09373067
  H     19.76306032      4.01011713    -14.37183542
  O     19.16459185      3.24116338    -15.81506403
  H     13.43526967      5.11903696    -15.04873365
  H     20.84729861      4.02162778    -13.27110683
  O     18.98558950      6.86661726    -16.93628821
  H     14.29506750      4.76295278    -13.80438627
  H     14.81565128      3.27276815    -12.14739685
  O     16.78103027      5.85800079    -15.49085180
  H     15.93707302      7.29303013    -12.29019294
  H     16.19898739      3.80239697    -12.60231892
  O     14.23973147      8.01778825    -15.19003056
  H     17.21340887      7.83016972    -13.00577045
  H     16.71357901      4.91378074    -10.40082038
  O     13.81416692      3.47853776    -10.57414570
  H     16.52191392      4.09435023    -15.52464493
  H     15.31211642      4.48731829     -9.91059476
  O     20.04638330      4.45602108    -13.55402919
  H     15.99578488      3.00640748    -14.56744735
  H     15.78123220      7.43857851    -17.95262208
  O     15.37204005      3.41224490    -12.92237528
  H     13.34872622      6.45950639    -11.27441578
  H     15.68767277      6.38124064    -16.83472759
  O     16.00805040      5.14462769     -9.78172758
  H     12.87996126      5.68930738    -12.52011764
  H     18.92554689      9.76737274    -12.89728227
  O     15.24822481      6.69603570    -17.64308414
  H     19.80687519      7.12389576    -15.32806871
  H     19.07537094      8.46982700    -13.73056027
  O     18.43217074      9.12091549    -13.39377628
  H     20.08096903      6.29587726    -14.05236690
  H     17.24491362      9.48366053    -18.61068122
  O     17.16400499      8.73863414    -18.02211673
  H     14.71511390      1.57028312    -17.69166132
  H     16.96357087      9.09703265    -17.13595510
          69
 Energy    -248.48728585093426     
  O      0.57635835     -0.57077258      2.83214585
  H      0.77837448      0.28113649      3.23806600
  H     -2.53838550      4.60899415      0.19127706
  O     -2.96230789     -0.17580710     -3.60587183
  H      1.03981051     -0.62572909      1.98143266
  H     -0.48797114      3.38886003      1.16612334
  O     -4.51408381     -0.34827385     -1.22706306
  H     -2.14199070      0.13850227     -3.19122418
  H      0.52515898      2.70282005      2.12164090
  O     -2.38647038     -2.92269685     -2.84953208
  H     -2.98596694      0.19623500     -4.48406553
  H     -1.90402796      1.19550848     -0.92449069
  O     -0.22823086     -2.09709928     -1.31081265
  H     -4.31576356     -1.25841665     -0.95955060
  H     -3.37567647      0.90383465     -0.54868783
  O     -3.45194914      3.65611429      3.37877250
  H     -4.17165765     -0.25192326     -2.12378859
  H     -2.14803467      0.53558677      1.19959202
  O     -3.47053195     -2.71558587      3.93570801
  H     -3.02041407     -3.10016643     -2.14290743
  H     -1.08968429     -0.09261786      2.17976380
  O      0.78736556      2.02222794      3.85519785
  H     -2.66394181     -2.08887756     -3.24670899
  H     -4.57579459     -3.06320216      0.31062015
  O     -0.71625791      0.50465815     -2.11417459
  H     -0.62017670     -2.32134616     -0.45393771
  H     -3.07704263     -2.95708194      0.03738326
  O     -5.56259423      1.71068411      3.22099201
  H     -0.81781431     -2.49678627     -1.96586385
  H      1.70630405      0.15897356     -0.12761454
  O     -3.51437755      0.03231390      4.24155538
  H     -4.20064343      3.05681641      3.26599434
  H      1.18961253     -1.28050509     -0.29530539
  O     -2.27376229      3.91716426      0.79279215
  H     -3.08614643      3.80120609      2.49811885
  H     -2.24609374      2.78110076      4.41590568
  O      0.38226273      2.97517678      1.20742359
  H     -3.54773613     -1.78905125      4.20873728
  H     -2.22662301      1.32417483      4.87706725
  O     -2.61520968      1.45637077     -0.32365596
  H     -2.52547437     -2.89403970      3.89605923
  H      1.08555848      2.29120578     -0.19747366
  O     -2.02155601     -0.09104349      1.92089600
  H      1.39220519      2.42237154      4.47367339
  H      2.19015523      2.38095988     -1.27951126
  O     -3.93871038     -2.95433382     -0.40622952
  H     -0.10036402      2.07280816      4.25724757
  H      0.05276994     -3.51879562      4.08616913
  O      1.65445572     -0.69585424      0.31621259
  H      0.05405370      1.03393677     -1.87182630
  H     -0.12387413     -2.13843836      3.41839435
  O     -1.68792613      2.12330131      4.85708352
  H     -0.53025726     -0.40360021     -1.82934427
  H     -1.21483030     -3.04490769      1.79969282
  O      1.44930739      1.85554060     -0.99026644
  H     -6.43337313      1.91758725      3.55109494
  H     -1.87730869     -1.76067666      1.28564842
  O     -0.56571869     -2.98701659      3.59175985
  H     -5.68728427      1.08480546      2.48596921
  H     -6.08649438     -3.45058410      2.35735510
  O     -1.60205630     -2.64979808      1.01159089
  H     -4.28027596      0.58911672      4.05794135
  H     -4.69286097     -2.87184524      2.68176682
  O     -5.39758746     -2.88944155      2.01039317
  H     -3.01390500     -0.00393378      3.40981677
  H     -5.54455723     -0.12513694      0.36168088
  O     -5.85439893     -0.15495713      1.27420932
  H     -2.47635384      3.07179185      0.35668433
  H     -5.73959849     -1.06833193      1.56536060
          69
 Energy    -248.48703856335845     
  O     19.93052934     10.95690473     -8.67149634
  H     19.92676720     11.74147615     -8.12942901
  H     19.12551979     10.74814095    -10.32063006
  O     18.37232913      6.00171313     -9.39219220
  H     19.42091717     10.28051264     -8.19026573
  H     21.54101730     10.20490159     -9.39655628
  O     17.53961232      5.44710780    -12.96934377
  H     18.91063815      6.08548871     -8.59511872
  H     22.23219212      8.82989107     -9.54111621
  O     19.81882293      6.78872585    -13.83599529
  H     18.75326971      6.60297548    -10.05381470
  H     19.31855785      9.58571259    -14.66459728
  O     21.65744766      7.04282845     -9.45539293
  H     18.13626915      4.91229555    -12.42523795
  H     18.85202464      9.31874925    -16.11897812
  O     22.45676730      6.75149339    -13.01517437
  H     16.64495807      5.31702576    -12.62168155
  H     20.32459949      4.37364838    -11.26959655
  O     20.10806537      6.65120102     -7.24678836
  H     19.07059643      6.19650406    -13.67991420
  H     19.00186945      4.64858724    -10.52874400
  O     13.97427578      6.66296936     -9.58321027
  H     19.51393382      7.48844764    -14.42654009
  H     14.91977018      7.80393515    -13.83115233
  O     22.23858029      4.86477347    -11.10004314
  H     21.99796124      6.24557383     -9.87992657
  H     13.64941900      7.57525144    -14.68165971
  O     19.60477884      7.76852439    -11.15181909
  H     20.97598774      7.37989484    -10.05986106
  H     15.27461554      9.47814083    -11.20598911
  O     18.51575244      9.00682104     -7.45548002
  H     21.58514991      6.70798840    -13.43496899
  H     16.46013333      8.96602317    -12.04975699
  O     18.80964198     10.46080888    -11.18623989
  H     22.62304581      7.68580230    -12.84445436
  H     17.01200167      7.15623765    -13.36943082
  O     22.28716877      9.75617774     -9.81132299
  H     20.76348986      6.79279275     -7.95196933
  H     17.33385159      8.42874339    -14.21567058
  O     18.77050371      9.00346117    -15.22371903
  H     20.55150423      6.18716894     -6.54184986
  H     22.60909483      9.67647844    -11.53282011
  O     19.37486011      4.21767282    -11.31019228
  H     14.78993860      7.06491807     -9.24093771
  H     23.58486926     10.00989672    -12.68160294
  O     13.97304460      7.58803614    -13.78465662
  H     13.51468062      6.29471690     -8.83297207
  H     16.99408391      7.11920254     -9.12958272
  O     16.24147089      9.45667642    -11.24479090
  H     22.88266120      4.17267861    -11.22272711
  H     16.38674871      8.41989072     -9.74639300
  O     16.69115657      8.03749406    -13.61188510
  H     22.37922217      5.50779764    -11.81967893
  H     13.50793023      8.19076238    -10.68231526
  O     22.76531366      9.56165970    -12.48635311
  H     19.70889149      7.46486253    -12.06132811
  H     13.51198769      8.54102660    -12.17729412
  O     16.37841638      7.84908843     -8.96408242
  H     19.35620158      8.70042795    -11.17804838
  H     21.14502136     10.15962311    -13.24901751
  O     13.53372889      8.93589393    -11.29592498
  H     17.69836312      8.68896908     -7.85869610
  H     19.75235217     10.59070032    -12.73616232
  O     20.26928359     10.43991435    -13.54044707
  H     19.04121536      8.22273947     -7.25423715
  H     14.62894457      5.76797377    -11.17723855
  O     14.93155741      5.49306802    -12.05037148
  H     17.85976120     10.28561808    -11.12941531
  H     14.46522597      6.06648681    -12.67053698
          69
 Energy    -248.48679437899040     
  O     14.78026470     10.14656598     -9.53757727
  H     14.99754329     11.06252586     -9.32107269
  H     10.76750781      9.66601810    -10.98596918
  O     16.95202560     13.23235084    -13.22801618
  H     15.48654658      9.82595754    -10.11641770
  H     14.02392189      5.70316700    -10.61937922
  O     11.37478111     10.75644194    -15.22386694
  H     17.64199072     13.82438517    -13.51444299
  H     15.50535684      6.05066069    -10.90102284
  O      9.81484875      8.74850871    -13.93521881
  H     17.29254615     12.75686370    -12.44868225
  H     12.04519982      6.13812248     -9.82953841
  O     12.98662356     11.81701400    -13.16997915
  H     10.98641315     11.20627917    -15.97038350
  H     12.42922246      5.13556866     -8.71836751
  O     15.39036983     11.26166373    -14.46781785
  H     12.15250744     10.27789121    -15.56365150
  H     13.87243997     13.17460454    -12.18678835
  O     15.49224974     12.83336470     -9.32303255
  H      9.72960656      8.99295491    -13.00580708
  H     15.32366608     13.68166082    -12.29388552
  O     16.95161845      9.19888244    -11.07390083
  H     10.29397777      9.46902831    -14.36388904
  H     14.11505487      8.75601265    -16.01755675
  O     14.04628410      5.34946908    -14.11936981
  H     12.31247385     11.57630230    -13.81721148
  H     14.33461584     10.24588155    -15.68404742
  O     17.66853445     11.91473728    -10.97105258
  H     13.83565326     11.60862780    -13.58761048
  H     17.52217853      6.22770790     -9.24760911
  O     13.68976381      8.21878992    -12.45102951
  H     15.74923876     10.41686679    -14.15884662
  H     16.18741372      7.00815354     -9.12837966
  O      9.88024931      9.28164744    -11.09187603
  H     15.98694531     11.95513426    -14.16156169
  H     10.42116776      7.47135889    -10.92788274
  O     14.66265310      5.85606111    -11.32897456
  H     15.09168107     13.18218210    -10.13999799
  H     11.08220441      6.48631933    -11.90617204
  O     12.77166621      5.85201170     -9.24642129
  H     15.44408265     13.52807525     -8.67226905
  H     14.81653198      6.47027189    -15.23456768
  O     14.54670033     13.68483723    -11.72051820
  H     16.75821323      9.01082850    -12.00337537
  H     15.56467245      6.68755898    -16.56746570
  O     13.69825897      9.62349654    -16.06106291
  H     17.08047412      8.34852847    -10.63646099
  H     12.37980720      7.30341009    -13.37820035
  O     16.87597344      6.71310892     -9.75301205
  H     14.34583629      5.35500685    -13.20229885
  H     10.93901945      7.31722088    -13.92479237
  O     10.87073025      6.61939987    -10.97290329
  H     13.11860996      5.62623306    -14.08986203
  H     14.66594555      8.52645637     -8.57386827
  O     15.23304113      7.14489128    -15.79941647
  H     17.56119886     10.95399839    -10.98470210
  H     14.01551010      7.11243988     -8.52923751
  O     11.66691416      6.72504716    -13.68887010
  H     17.06334832     12.24195264    -10.29449915
  H     16.04021004      8.16469592    -14.43050769
  O     14.79918769      7.61669328     -8.27620066
  H     13.21441111      8.81825350    -11.86526844
  H     15.18593147      8.60384662    -13.23394256
  O     16.06114615      8.72046580    -13.64294298
  H     13.98295611      7.44409426    -11.94985891
  H     12.61365222     10.84439777    -11.70757554
  O     12.42988733     10.24033573    -10.97244687
  H      9.29042770      9.79610316    -10.54699148
  H     13.19453537     10.25363724    -10.38100826
          69
 Energy    -248.48677304137044     
  O     17.03845711      8.76929836    -13.42661663
  H     16.49259332      8.85447740    -12.62921685
  H     18.01029983      4.71298640    -11.34786825
  O     13.59210629      6.74200625     -8.01307427
  H     16.75649405      7.97022996    -13.89018908
  H     15.41162646      7.42972510    -10.49213865
  O     17.29858667     11.38195015    -14.15009762
  H     13.54318994      6.45112688     -7.10708621
  H     14.88256771      6.54692042     -9.31798088
  O     11.84862247      6.74452748    -10.29172306
  H     13.55201843      7.71616790     -8.00197842
  H     20.02634547      5.64612057    -14.60138461
  O     19.32432343      7.78984335    -12.26722228
  H     17.20949746     10.42754697    -13.98424920
  H     19.38562840      6.48997111    -13.47563368
  O     20.25650796      9.89517251    -10.68771634
  H     17.47645319     11.48624188    -15.08108026
  H     16.23604964     13.72097489    -10.03703719
  O     18.17195887      6.22735478    -10.14598237
  H     12.33512258      6.60653991     -9.46912715
  H     15.85941080     12.65312600    -11.09262923
  O     15.06351235     12.24851688    -12.58062156
  H     12.33127316      6.25627601    -10.97142777
  H     17.39055055      6.16283136    -14.68186166
  O     13.75557286      7.65622785    -14.00111698
  H     19.77838472      8.46593922    -11.75003385
  H     16.02302500      5.58076507    -14.31905436
  O     13.34286917     10.03309610    -12.65375331
  H     18.55017435      8.21640320    -12.66532983
  H     14.70555014      9.39294336    -11.66618273
  O     11.64465582      9.44045088    -10.51889949
  H     19.72403322     10.62543028    -11.05251378
  H     15.67948613      9.56112191    -10.45004030
  O     17.88180959      4.18477637    -12.14530096
  H     21.09635572     10.26581744    -10.43101218
  H     17.98940929     12.22649543    -11.15454534
  O     15.42807485      6.53586286    -10.11469863
  H     18.50975043      6.76595670    -10.87417672
  H     18.30975331     11.75468696    -12.58396738
  O     19.21249241      5.78576194    -14.12412396
  H     17.20452601      6.30298068    -10.14167633
  H     16.83439505      9.92735340     -8.78900910
  O     16.40978317     12.82286800    -10.30591398
  H     15.75218893     12.02337208    -13.21796274
  H     16.21195157     11.29282112     -9.26869930
  O     16.44652869      6.36965610    -14.68147797
  H     14.38264890     11.56758361    -12.66559971
  H     14.33353516      5.87990303    -11.38309343
  O     15.47995581      9.02016615    -11.22475735
  H     14.52168523      7.38345621    -14.51112958
  H     14.17390630      4.90818500    -12.56234990
  O     18.68497332     11.83785752    -11.69906846
  H     13.64037698      6.96272842    -13.33546927
  H     19.00285363      9.23958451     -9.39948713
  O     16.00734572     10.41938446     -8.91242867
  H     13.39414471      9.25352960    -13.22819187
  H     18.26011644      7.93227788     -9.08480967
  O     13.71284967      5.59944263    -12.07289389
  H     12.65765873      9.87543260    -11.99046558
  H     14.32716824      9.84674652     -8.41253276
  O     18.28233974      8.87216836     -8.87330189
  H     11.65959334      8.46727037    -10.47689942
  H     12.90902532      9.60688823     -9.01057132
  O     13.47204269      9.42495886     -8.24949865
  H     10.74194565      9.70612919    -10.36221382
  H     15.44939220      3.08872912    -13.83644507
  O     15.51289874      3.95951384    -13.45334086
  H     18.42894391      4.59906576    -12.82396547
  H     16.32255565      3.96985041    -12.91176747
          69
 Energy    -248.48660714797307     
  O     15.79332889     10.83308027    -16.79722882
  H     16.54755927     11.20264588    -17.29171985
  H     18.04830962     13.47087730    -10.50883187
  O     18.87816418     16.82059120    -16.99971218
  H     15.38342287     10.18380695    -17.36181859
  H     19.63596170     18.59783606    -11.54918877
  O     18.48711928     15.38370485    -10.67651962
  H     18.91833510     17.64288951    -17.48052480
  H     20.76614694     18.70073492    -12.58996067
  O     14.48766123     14.18982577    -13.30016159
  H     18.77350095     17.04985734    -16.05964154
  H     20.91244272     13.51310951    -11.64870234
  O     20.52879860     11.72999293    -11.78483150
  H     17.90062265     15.44283742    -11.44450540
  H     21.02916616     14.83445466    -12.48177464
  O     15.83301784     11.79286919    -12.36438013
  H     19.34395973     15.05903981    -10.99344993
  H     16.70729850     11.01860428    -13.65964420
  O     20.62818456     12.05490948    -17.04598266
  H     14.57268964     13.90687697    -14.22879422
  H     16.72600824     10.69416510    -15.19206242
  O     21.10434182     15.84678317    -13.99706843
  H     13.56313573     14.36896460    -13.15202333
  H     21.07267184     15.02467006    -15.65611236
  O     19.41996483     17.80452207     -9.82286731
  H     20.95878935     10.97862750    -11.38390785
  H     20.19727164     15.37894469    -16.86160143
  O     14.89067701     13.39841069    -15.86221644
  H     20.40421224     11.51253577    -12.72443116
  H     23.38540933     18.36195612    -12.79973973
  O     17.90288572     12.06287865    -17.97202368
  H     15.32212687     12.58385884    -12.56435723
  H     22.46568040     17.54116594    -11.86256375
  O     17.92955432     12.53515550    -10.70608321
  H     16.50315437     12.04717983    -11.71169311
  H     17.96946178     16.69256240    -13.86102028
  O     19.82087111     18.84784763    -12.46330188
  H     21.34951055     11.79758934    -17.61463748
  H     18.97166291     17.88372643    -13.68447160
  O     20.95030101     14.47527713    -11.58670032
  H     20.71750619     13.01413465    -16.89963517
  H     21.77485820     15.87213140    -10.64620946
  O     17.28375864     10.81991400    -14.41575143
  H     21.70387880     16.54137246    -13.69357924
  H     21.22828370     17.17084582    -10.02428224
  O     20.80004223     14.70562178    -16.52683092
  H     20.23439274     16.26085858    -14.08939927
  H     20.30834193     11.40543645    -15.32035834
  O     22.53966738     17.92501505    -12.75532371
  H     18.98192901     18.12486442     -9.03882266
  H     19.10330361     10.96112294    -14.43640225
  O     18.65285266     17.21140782    -14.30564262
  H     19.00092201     16.95673933    -10.05141800
  H     17.65214722     12.66549138    -14.43408600
  O     22.03438409     16.75974690    -10.36105027
  H     15.03627079     12.49102458    -16.15388862
  H     19.09863482     13.11886081    -14.47129833
  O     20.02805767     11.25549363    -14.40987462
  H     15.57383398     13.92387819    -16.30017521
  H     17.63511392     14.20883673    -16.05312954
  O     18.20133817     13.46161941    -14.48182287
  H     17.67310789     12.98034670    -17.76728497
  H     17.68404182     15.38664595    -17.05206501
  O     17.24142718     14.55053519    -16.87083244
  H     18.82544941     11.96192219    -17.71203145
  H     16.05570940     15.15310439    -13.02293574
  O     16.98383182     15.41542649    -13.00525619
  H     18.78106926     12.22016361    -11.02980375
  H     17.46285023     14.70456777    -13.46011870
          69
 Energy    -248.48656795035356     
  O     12.78507495     10.22950287    -15.62430920
  H     11.96161264     10.19010948    -15.11386566
  H     14.90919646      5.77160161    -17.16571196
  O     16.12297664      7.67756172    -12.68793916
  H     13.09440773     11.14259234    -15.54699120
  H     19.08075893      9.64528731    -13.79461268
  O     16.35050219     11.77637370    -10.96315600
  H     16.66549714      8.09737891    -12.00921220
  H     18.68936043      9.71941450    -12.28948484
  O     16.38476197     12.88385622    -15.17605110
  H     15.78258445      8.40373209    -13.23581898
  H     16.16977400     10.00170053    -16.89397259
  O     12.81490171      7.34118339    -14.88535636
  H     16.99129313     12.22861285    -11.52452544
  H     16.33410632     10.15592434    -15.37780683
  O     12.54254564     10.01388273     -8.92376385
  H     15.49867309     11.85469748    -11.41891943
  H     14.33995540      9.72122903    -14.60318430
  O     13.42919236      7.34915609    -12.18383952
  H     16.96986870     12.91436526    -14.40948047
  H     14.94144790     10.52463557    -13.43784604
  O     14.04265462     11.81309664    -12.42503894
  H     16.64421242     12.10208825    -15.68197967
  H     11.11307364      9.97099761    -13.08031465
  O     17.09514925      6.67236257    -15.08927840
  H     12.60271535      8.21248651    -15.23149723
  H      9.91554152      9.42020017    -13.87313768
  O     13.80073614      7.46039378     -9.37882445
  H     13.49553083      6.98966696    -15.47517156
  H     16.58045709      7.62139815     -7.84716966
  O     18.95570824      8.80643029    -15.50889549
  H     12.01536230     10.31602749     -8.18933159
  H     15.43591006      7.83979302     -8.86429660
  O     14.88986007      6.57744811    -16.65606739
  H     13.43904811     10.37239499     -8.79322902
  H     18.53095282     11.86007002    -13.00531871
  O     19.07268841     10.22007990    -13.02093802
  H     14.39422342      7.36389396    -12.26458798
  H     18.87574087     13.35428217    -12.80034088
  O     16.79232368     10.30800653    -16.21935464
  H     13.10010133      7.22559663    -13.08551831
  H     17.24792340      8.80891390    -10.03248983
  O     15.13619478      9.81897655    -14.06624776
  H     13.77596670     12.27079785    -13.23149196
  H     17.10524161     10.08875890    -10.88992912
  O     10.65147568     10.02522929    -13.93242190
  H     13.34718526     11.18544675    -12.18196885
  H     15.60291775      9.97571273     -8.46900518
  O     16.29691882      8.18204465     -8.56423307
  H     16.80592080      6.85512055    -14.18420012
  H     15.58299783     11.26575726     -9.31580713
  O     18.14642640     12.75245636    -12.92600099
  H     17.81233899      7.29298291    -15.26200053
  H     14.73108978      8.31544163    -17.38509584
  O     17.52835087      9.21810525    -10.86072366
  H     13.25791818      8.22478485     -9.15061182
  H     13.90669354      9.59128094    -17.12788564
  O     15.11929731     10.79957288     -8.60841747
  H     13.59951069      7.25808249    -10.30166118
  H     12.23453579      9.93347277    -10.72793999
  O     14.66700865      9.25250814    -17.61455171
  H     19.67328220      8.84510122    -16.13649487
  H     12.68208762      8.97026532    -11.86579355
  O     12.25495076      9.82141195    -11.68686194
  H     18.24600266      9.37353366    -15.85795218
  H     14.65562213     12.91568598    -15.11470989
  O     13.68645718     12.84992320    -15.03344351
  H     15.70068933      6.58588017    -16.11709381
  H     13.32481392     13.66937121    -15.36012212
          69
 Energy    -248.48655778070446     
  O     12.27483619     11.32300816    -14.86182904
  H     12.99809905     11.95416413    -14.77663483
  H     18.09716041      7.91289186    -13.68306772
  O     15.55351456      6.39995312    -13.62011566
  H     12.55178213     10.68567896    -15.53561129
  H     16.12970881     11.34449140    -16.94711612
  O     17.58461102     10.24411053    -11.53608790
  H     16.41308958      6.72356610    -13.31626658
  H     17.32018193     11.81455544    -16.07743402
  O     19.08803964     11.22435955    -15.65464657
  H     14.94532488      6.50297360    -12.87630183
  H     15.23818597      8.11051651    -14.26551791
  O     12.30138794      6.72332400    -16.13528300
  H     17.41400058     10.03745367    -10.60923144
  H     16.23599746      9.05201257    -14.96136648
  O     14.27436563      9.79737156     -8.53968479
  H     16.75563270     10.56768790    -11.91963372
  H     11.53554145     10.45559223    -13.57728022
  O     13.97279268      7.09287746    -11.43011011
  H     19.83602262     11.55759205    -16.14371454
  H     10.23637423     10.18069460    -12.78319199
  O     15.22499585     10.98009052    -12.74169440
  H     19.27106739     11.38506350    -14.71277718
  H     16.70468790      7.71120403     -9.76103170
  O     16.91801654      7.44911877    -17.67603145
  H     11.54637625      6.22318919    -16.43296117
  H     17.10912889      7.01540796    -11.07055427
  O     18.01505679      8.64193410    -15.40134772
  H     12.18419526      6.86226466    -15.17812184
  H     11.65370145      8.14057566    -13.29917380
  O     15.05964193      6.00870483    -16.33332224
  H     13.86397928      9.85763597     -9.41790189
  H     12.58726326      7.03673050    -12.76117739
  O     17.89681915      7.69732809    -12.76126032
  H     13.62347749      9.38921616     -7.97383829
  H     20.13855908     11.97224989    -12.38354414
  O     16.39627435     11.99354928    -16.27921318
  H     14.79206637      6.94347231    -10.93446021
  H     18.86956829     11.10726715    -12.43187374
  O     15.33679245      9.00662399    -14.61133687
  H     13.75562215      8.02545792    -11.30161783
  H     16.00291366      9.59789940     -8.73723885
  O     11.14992186      9.91970128    -12.85996959
  H     15.22861068     10.26773409    -13.40146918
  H     17.40712447      9.53023700     -8.09283915
  O     16.51169472      6.94653141    -10.31611928
  H     15.02760809     11.79036102    -13.22629472
  H     14.70742914      9.79815346    -17.67277999
  O     11.99849912      7.25978788    -13.49172143
  H     17.26414351      6.91203683    -18.38353284
  H     16.05890392      9.14884564    -18.00704974
  O     19.51884211     11.56916058    -12.98606334
  H     16.23579397      6.91483731    -17.22992750
  H     12.49717733      9.90202910    -11.60761466
  O     16.94429129      9.43501519     -8.92127428
  H     17.77084829      8.22371284    -16.23792597
  H     13.99379423     10.29916280    -11.64073467
  O     15.59135890      9.99176349    -18.01414657
  H     18.43792459      9.48781820    -15.59442101
  H     15.23672153     12.65476328    -15.20984678
  O     13.32383872      9.83983022    -11.11333121
  H     15.27726020      5.97676050    -15.39097142
  H     14.59197642     13.94088940    -14.64076383
  O     14.59222108     12.99153667    -14.55916976
  H     14.11170476      6.18158336    -16.37113234
  H     14.04056498      9.24002972    -15.83961488
  O     13.32599135      9.32939016    -16.49101512
  H     17.80895944      8.55363129    -12.32065050
  H     12.88313526      8.47330044    -16.51475302
          69
 Energy    -248.48648937101700     
  O     13.93926790     11.05661141     -9.37551824
  H     14.18966245     11.32052430     -8.49313805
  H     11.12850085     13.60350309    -13.44452800
  O     11.02836954     10.98284523    -15.61870737
  H     14.67088128     11.31746666     -9.95979392
  H     16.00787663     13.88642245    -16.19265993
  O     14.13858569      8.52923178    -10.75796343
  H     11.45399340     11.24369458    -16.44514216
  H     17.01883108     14.19871165    -17.32440677
  O     17.79559758     13.34246866    -12.22798725
  H     10.85029778     11.79620838    -15.12429829
  H     13.03194598     13.36806927    -12.51673428
  O     11.50355249     11.62898279    -10.74025119
  H     14.06820714      9.25625679    -10.12818575
  H     12.69715715     14.67529302    -11.74392602
  O     11.74107641      9.11235742    -12.04060884
  H     13.28592580      8.51068236    -11.21401531
  H     12.32167029     13.55043639    -16.75978865
  O     13.20281832     10.00705191    -14.22273799
  H     18.70824058     13.56646636    -12.06681075
  H     11.53640567     14.08820789    -15.54445447
  O     13.72025311     16.03367898    -11.19704241
  H     17.76666571     12.86955539    -13.08090791
  H     13.88610489     11.54086023    -13.59745612
  O      9.57150285      9.44514005    -13.70457577
  H     12.23764044     11.42714565    -10.14791261
  H     14.88912629     12.07157397    -12.53321693
  O     14.77189525     14.34682843    -15.05467825
  H     11.74777289     12.45986877    -11.17743337
  H     17.43239760     12.51926191    -15.34799741
  O     15.12178340     11.16424724    -17.15981414
  H     10.95448732      9.02402102    -12.59843384
  H     17.01392419     11.22704673    -14.61709702
  O     10.48186655     13.27079589    -14.08567705
  H     11.65179902      9.96026202    -11.58472161
  H     12.46235169     11.82908608    -18.68986660
  O     16.69048958     13.49740460    -16.76901777
  H     12.78504745      9.60186620    -13.45202842
  H     13.47680921     11.61764446    -17.54349654
  O     12.30853780     13.87040817    -12.11142393
  H     12.48306251     10.30052126    -14.79677210
  H     15.63279746      8.66363829    -11.64951709
  O     12.25451298     14.29836794    -16.15240638
  H     14.53942159     15.89216499    -11.70175461
  H     17.11139230      8.24046536    -11.81566086
  O     14.27293812     12.34316661    -13.22275878
  H     13.64440514     16.97711202    -11.08147252
  H     14.92181962      9.75810734    -14.64995736
  O     17.58543646     12.00246661    -14.54757020
  H      9.96506321      9.84023715    -14.49391727
  H     16.20473611      9.32325168    -13.94177248
  O     12.57450734     11.92058433    -17.74724334
  H      9.21506864     10.18496518    -13.19710871
  H     16.28943763     10.65824363    -11.48208201
  O     16.47305664      8.89584741    -12.08539097
  H     14.68112884     13.60049205    -14.44313945
  H     16.68009617     12.17076408    -11.39080907
  O     15.88538264      9.72970452    -14.75610262
  H     13.89941468     14.47686651    -15.45283972
  H      8.30521810     11.97373059    -11.50750031
  O     16.00163393     11.52265915    -11.15787212
  H     15.44596258     10.56631436    -16.47724720
  H      9.82278790     11.70214022    -11.51602590
  O      9.03970102     11.77680294    -12.08443695
  H     15.70552644     11.93350261    -17.13919876
  H     16.57257154     14.82202104    -12.53514540
  O     15.91948058     15.49745958    -12.74834883
  H      9.79605086     12.86162449    -13.54577773
  H     15.55205031     15.25248155    -13.60854175
          69
 Energy    -248.48638073424326     
  O     12.24796421     11.10728388    -16.01432322
  H     11.59605783     10.72998253    -15.40295577
  H     18.19289812      9.05426834    -12.67915060
  O     15.24801929      7.66842768    -13.07631933
  H     12.60396235     11.91664892    -15.62973642
  H     13.60084612      9.96599427    -15.11577695
  O     16.26993432     11.55634734    -11.25595483
  H     14.99154926      8.37112046    -13.69247837
  H     15.08569481      9.88243538    -15.47588943
  O     16.28370414     12.46684627    -15.59658362
  H     15.84526404      8.06034377    -12.42348416
  H     10.98555660      9.88566322    -13.31171886
  O     13.31375269      7.52309566    -16.95660077
  H     15.41119708     11.59093406    -11.70329795
  H     10.91909390      8.83663772    -14.44624064
  O     12.36274240     10.06392287     -8.92685984
  H     16.91853425     11.84517897    -11.91062392
  H     16.20401357      7.37652709     -8.12153071
  O     12.69897379      7.27465380    -12.24313641
  H     16.20799982     11.76249063    -16.25391472
  H     15.00062909      7.67162653     -9.04874542
  O     13.92595958     11.46906710    -12.70189193
  H     15.38982734     12.78345924    -15.42588928
  H     10.99254966      6.41157350    -15.16407485
  O     17.32249820      7.28329598    -14.94447074
  H     13.15969988      8.30100664    -17.50575760
  H     12.23240880      7.22686583    -15.57790873
  O     13.32263039      7.40102825     -9.47310989
  H     14.26370306      7.36479260    -17.01402483
  H     17.36673511     12.27112661    -14.23383783
  O     16.17782856      7.43006904    -17.34375971
  H     11.92177910     10.40805453     -8.15505532
  H     18.67267449     12.74742093    -13.56194572
  O     18.57881373      9.30937182    -13.52816725
  H     13.28764365     10.36648093     -8.88172443
  H     16.73176843      9.78455030    -11.20894227
  O     14.46528301      9.74392296    -14.75014553
  H     12.24028965      7.08909006    -13.07022614
  H     16.72162356      8.46608505    -10.38994762
  O     10.73498288      9.76131720    -14.23627814
  H     13.63999318      7.32322517    -12.47728490
  H     15.41392526      9.82022835     -8.72916323
  O     15.89909930      7.96153933     -8.80957032
  H     13.18745557     11.00951243    -12.28037892
  H     15.49517304     11.11702602     -9.56343294
  O     11.58224414      7.10022640    -14.86562905
  H     14.26051169     10.86720932    -13.38533306
  H     14.93830254     10.25346180    -17.69451569
  O     17.94197985     12.14235990    -13.45984385
  H     16.61699691      7.16449600    -14.29668699
  H     16.07820815      9.29127414    -17.32159552
  O     16.96584810      8.84607004    -11.24247778
  H     17.88505291      7.98019445    -14.57710239
  H     11.92740388     10.01349984    -10.71531602
  O     15.00577792     10.68706983     -8.85130484
  H     13.04258751      7.19932746    -10.37498160
  H     12.19474376      8.98349599    -11.84575138
  O     15.77370558     10.20211225    -17.21102570
  H     12.86983433      8.21686464     -9.22598894
  H     13.68692132     12.74348651    -13.92289754
  O     11.90692821      9.89257359    -11.67260170
  H     16.63957468      7.32830991    -16.49065008
  H     13.36342580     14.14145235    -14.50152173
  O     13.60166340     13.25125919    -14.74823603
  H     16.61739014      6.85397401    -17.96275311
  H     12.69488230     10.36510187    -19.08566762
  O     13.15993666     10.05801761    -18.31242769
  H     18.43404954     10.25942126    -13.59372203
  H     12.74503153     10.48784550    -17.54241148
          69
 Energy    -248.48623979347070     
  O     11.57031022      9.60326733    -15.32137998
  H     11.71544494     10.55670473    -15.31452407
  H     14.68344465     11.52985808    -17.44730466
  O     16.38648162      7.35838515    -12.98018972
  H     12.26902257      9.22719078    -15.87358364
  H     14.52752266      9.05912727    -14.98442571
  O     16.66537265     11.39181532    -15.12219338
  H     17.08365510      7.88549186    -12.56907051
  H     15.47435779      8.67754166    -13.80356237
  O     13.89877232      5.78867060    -15.93546189
  H     15.72528072      7.15265408    -12.30656461
  H     10.09224649      8.19853508    -12.94313011
  O     15.17738812      9.87962763     -9.50674251
  H     16.12865660     10.63429353    -14.83468273
  H     11.20458706      8.78719908    -13.84240481
  O     14.34104184      6.95173995    -11.16412193
  H     16.66425746     11.99931450    -14.36688655
  H     18.53485419      7.82202592    -10.58223472
  O     13.69391015     11.43800038    -12.92042935
  H     13.53200428      5.88987895    -15.03815927
  H     19.14897825      6.53923711    -10.00265354
  O     18.26005483      7.83911639    -16.78182321
  H     13.46292368      5.03598173    -16.32596113
  H     13.40632984      6.23949954    -12.65438067
  O     15.92193476      7.19304783     -8.84454450
  H     15.41153155      8.99972738     -9.18727501
  H     12.18136210      6.83750358    -13.35599476
  O     18.81997534      9.59500623    -14.56359251
  H     14.33267082      9.78493249     -9.96332081
  H     16.65772891     12.26351123    -12.02034931
  O     16.67705934      6.13156466    -15.43861081
  H     14.80638656      6.89408523    -10.32111338
  H     15.30745618     12.41245000    -12.73369619
  O     14.51747612     12.19211263    -16.77361106
  H     13.88394143      7.80569361    -11.17360304
  H     18.65921899      9.20942308    -12.83113215
  O     14.99903443      9.40789270    -14.21799449
  H     14.14120077     10.69427658    -13.35835354
  H     18.04615090      9.79878028    -11.51674708
  O     11.03756190      8.30157316    -13.01423141
  H     13.12886353     11.84098448    -13.58972284
  H     16.50712330     10.77273498    -10.18972927
  O     18.45714613      7.18012587     -9.85797113
  H     17.71112243      7.17481839    -16.32624246
  H     17.73512842     11.65833181     -9.87604690
  O     12.87787437      6.17728158    -13.45944468
  H     18.91241366      7.35990739    -17.28528656
  H     16.48290894     10.35941289    -16.79325303
  O     16.23239933     12.69237856    -12.77277287
  H     15.92034343      6.80120486     -7.97514099
  H     16.92765665      9.01666260    -17.36382051
  O     18.38582483      8.99267906    -11.92688840
  H     16.83871831      7.15883805     -9.16810657
  H     13.17358649     10.19422814    -11.71393494
  O     17.28833109     11.19995998    -10.58373774
  H     18.73300133      8.97415038    -15.29664015
  H     12.19967708      9.01066296    -11.70684374
  O     16.22841754      9.68138933    -17.43066823
  H     18.23480655     10.33165717    -14.77787297
  H     13.05178241     12.34166291    -15.80833718
  O     12.93700618      9.39700205    -11.21708982
  H     15.76857109      5.91132867    -15.67311926
  H     11.80434575     13.15601018    -15.39702323
  O     12.28698987     12.35586742    -15.20692955
  H     16.63786588      6.47477294    -14.53379812
  H     13.87520776      7.55724279    -16.50070049
  O     13.82333956      8.51803089    -16.59076086
  H     15.27888543     12.13683258    -16.17935210
  H     14.63950013      8.83329172    -17.00391162
          69
 Energy    -248.48621800385888     
  O     14.23053522     11.86366138    -15.97214907
  H     14.83682512     12.10360809    -16.68518809
  H     19.72294598      8.53618383    -13.75125263
  O     18.60436178      7.27321771    -10.48450149
  H     14.64603583     11.14275670    -15.47320700
  H     17.37627519     12.05043087    -16.48534274
  O     16.39887368     10.33485110    -12.15601315
  H     18.75267689      7.07084298     -9.56464830
  H     17.64012825     12.10161152    -14.96465189
  O     12.61202949      9.62976359    -16.72690004
  H     17.64795872      7.41732721    -10.58992181
  H     13.93920613      7.60735685    -18.78276099
  O     15.98177522      6.24794733    -13.55249962
  H     15.99257768     10.18015988    -13.02535701
  H     13.71965009      8.66102927    -17.67137896
  O     13.27916107      6.03521898    -13.18981836
  H     16.28890173      9.50566678    -11.67139708
  H     14.18238768      9.37496531    -14.24664090
  O     18.63862622      5.86863475    -13.00965011
  H     13.00491918     10.49610811    -16.55967804
  H     15.48980867      9.01747907    -14.98964296
  O     14.14983270     13.50411224    -13.77813220
  H     12.42207280      9.25342527    -15.85725979
  H     17.32653584      9.48132024    -18.03415088
  O     18.30020375      9.04567462    -16.44800581
  H     15.99636075      6.67096064    -14.42355617
  H     15.89344170      9.22643691    -18.56314972
  O     16.00383597      7.76278096    -11.17445111
  H     16.88755832      5.95574840    -13.37493507
  H     13.19000145      6.90805362    -11.46077907
  O     16.13209277     12.37419327    -17.94868193
  H     14.24344016      6.01544263    -13.31541597
  H     12.78684489      8.28309294    -10.90023795
  O     20.00026093      7.95599268    -14.48349912
  H     12.96211465      5.15347225    -13.36820615
  H     18.29305071      9.84512132    -12.33598297
  O     17.89152800     11.64590367    -15.77918127
  H     18.76468870      6.21187480    -12.11661208
  H     19.07402664      8.72991184    -11.61871116
  O     14.39445609      8.12503215    -18.12414428
  H     19.12973753      6.46339124    -13.59032336
  H     16.05865101     13.18646655    -13.51343157
  O     15.07001053      9.69986083    -14.45105602
  H     13.78189413     14.36327327    -13.96782510
  H     16.87674824     12.08586611    -12.82161819
  O     16.65558466      9.81227221    -18.64623605
  H     14.09815476     12.98743426    -14.59993939
  H     14.74209314     11.22748303    -11.68131975
  O     13.32139074      7.50213308    -10.71097805
  H     18.20426595      9.96866158    -16.15788947
  H     13.88561492     12.31734178    -12.35321989
  O     19.13206460      9.37195834    -12.33835709
  H     18.96166278      8.63839424    -15.87709731
  H     12.18004836      9.04198054    -13.26919301
  O     16.95080394     12.83020972    -13.43099311
  H     16.02227967      7.30010556    -12.02428974
  H     12.70880803      7.70012983    -13.84272036
  O     13.85854820     11.61292064    -11.69312809
  H     15.09551013      7.70092015    -10.84699987
  H     11.09209432     10.17707493    -11.20780239
  O     12.52159838      8.62026589    -14.06899872
  H     16.32212332     12.97668902    -18.66223122
  H     12.55704471     10.48893926    -11.60069299
  O     11.86863060      9.79933279    -11.61137855
  H     16.31605273     11.47696427    -18.28155043
  H     16.89448878      8.02627227    -16.15651632
  O     16.06050927      7.58070542    -15.94134954
  H     20.95236778      8.00522541    -14.52441662
  H     15.48517212      7.63676478    -16.71393936
          69
 Energy    -248.48618909147541     
  O      0.24427559      0.66587064      3.22763135
  H      0.89424280      0.23426058      2.65248471
  H     -3.43408323      2.49660036      3.74522013
  O     -2.09592327     -1.83242995     -3.03372311
  H     -0.56248601      0.76944878      2.69754503
  H     -2.17402638      2.89965104     -0.97627324
  O     -1.08303571     -1.26008376      4.75423133
  H     -1.95075343     -2.67046760     -2.57716270
  H     -2.09264693      4.23073981     -1.75971360
  O     -4.09093641     -0.97553979     -1.32438961
  H     -1.35065784     -1.26925110     -2.78865712
  H      0.46754626      3.47542230      1.32683168
  O     -1.82819788     -4.09013612     -1.23942574
  H     -0.56060807     -0.54757926      4.35032083
  H     -0.31459232      3.63629197     -0.00539727
  O      0.16519054     -2.45623240      0.02797109
  H     -0.62827135     -1.51127926      5.55416546
  H     -3.05774245      0.51474135     -1.07951615
  O     -3.58133711      4.54502903      1.35434817
  H     -3.53354510     -1.23153895     -2.07383694
  H     -1.52780115      0.71410453     -1.22513767
  O     -3.97450867     -0.89115672      4.30814955
  H     -3.95783706     -1.66258042     -0.65780765
  H     -2.79470696      1.08263930      2.31175179
  O      0.45062304      3.41171990      3.22256081
  H     -1.95883717     -5.01720169     -1.42452911
  H     -2.19870694      0.95940863      0.86304638
  O     -0.09425173     -0.26019645     -1.68790131
  H     -2.53469799     -3.82849879     -0.62673066
  H     -2.88247520     -2.72526253      1.14959584
  O     -5.76992853      2.67739762      1.51574980
  H     -0.30741883     -3.13459914     -0.46759880
  H     -4.40774483     -2.85397589      1.14994651
  O     -4.00767470      1.74891971      3.51252941
  H     -0.37908361     -2.29313701      0.81383180
  H      1.48777165     -1.29155791      0.90977251
  O     -1.97904760      3.84878945     -0.89274257
  H     -4.34494292      3.95701028      1.30477995
  H      2.00679471      0.13169736      0.64575308
  O      0.52927866      3.36057764      0.37126661
  H     -3.05582955      4.37258087      0.56416414
  H     -2.73305821      4.24440489      2.93283137
  O     -2.34458308      1.15128503     -0.94193361
  H     -3.05951419     -1.04685540      4.56092900
  H     -1.40574519      3.80721802      3.59906985
  O     -2.08578817      0.69485960      1.78294343
  H     -4.04563276      0.06244265      4.14786507
  H      2.74710280      1.78371095     -1.17423280
  O     -3.62924300     -3.01684539      0.60328632
  H      0.46131456      2.44645348      3.33157859
  H      1.47465753      2.12967454     -0.36315133
  O      1.86395279     -0.51840271      1.34594839
  H      1.12104416      3.76223050      3.80430831
  H     -1.84106619     -1.05228764      1.91944390
  O     -2.35322486      3.88300508      3.74960934
  H      0.01163691     -1.01793583     -1.09476019
  H     -1.37906302     -2.01349830      3.02703914
  O      1.97369107      1.39874922     -0.77142922
  H      0.65654169      0.32213613     -1.51746218
  H     -6.30090162     -2.41478874      2.85364353
  O     -1.58826162     -1.97450531      2.08807032
  H     -5.82111911      1.79248166      1.11342622
  H     -4.97210034     -1.66729772      3.10300885
  O     -5.54548861     -2.03911454      2.40879907
  H     -6.66500245      3.00241446      1.57262343
  H     -5.80781120     -0.56675884      1.21228390
  O     -5.84584109      0.14743722      0.56484043
  H     -4.69906209      2.08927465      2.93231010
  H     -5.37259374     -0.17241808     -0.21333442
          69
 Energy    -248.48589288473519     
  O     12.31097723     11.19073723    -14.85127273
  H     13.04512174     11.80847307    -14.93086320
  H     15.05097954      5.65049436    -14.94319650
  O     15.33761043      6.17144184    -13.17985277
  H     12.55066861     10.42826747    -15.39982785
  H     18.46618286      8.94164538    -12.49850625
  O     18.11971873     10.75520630    -12.30999369
  H     14.65915497      6.41718633    -12.53483568
  H     18.45416380      7.95452319    -13.68365828
  O     18.50895630     10.88846853    -15.11390217
  H     16.14139450      6.00941790    -12.67345211
  H     16.99694931     12.10873196    -17.55264418
  O     12.10506023      6.44305030    -15.75869184
  H     17.17666327     10.89019528    -12.48101368
  H     17.29062219     11.42451501    -16.19772752
  O     15.69270462      9.43764872     -9.19041515
  H     18.22949127     10.84766837    -11.35312188
  H     14.57622393      8.75284235    -14.99823240
  O     13.62681851      7.08664807    -11.20595221
  H     18.46376752      9.93893398    -15.29569447
  H     15.29968896      7.83048391    -13.96033831
  O     15.42157703     10.98841723    -12.94424542
  H     18.51646818     10.97058669    -14.15164421
  H     10.43023297     10.50711538    -12.43165864
  O     16.65924018      6.75991667    -17.51835156
  H     11.92815426      6.71858655    -14.84071511
  H     11.62377783     10.53909644    -13.41634292
  O     15.73311423      6.55096284     -9.39921647
  H     11.31432205      6.01251403    -16.07207884
  H     11.44848554      8.25620577    -13.07877245
  O     17.84299863      8.20293430    -15.42620372
  H     14.93272605      9.66970329     -9.73888269
  H     12.23627450      7.07803813    -12.48937746
  O     14.82337782      5.59827027    -15.88119473
  H     15.73656204      8.47504599     -9.19312940
  H     18.21377247      5.24796777    -11.43883111
  O     18.56289549      8.00766218    -12.72567225
  H     14.20142029      6.80180600    -10.48563591
  H     17.96150951      6.72573759    -11.82014842
  O     16.57944413     11.65903926    -16.82167900
  H     13.64958770      8.05583120    -11.19679207
  H     18.22227391     11.32617925     -8.77540756
  O     15.32163872      8.69684933    -14.38664805
  H     15.40584306     10.16001958    -13.45214755
  H     17.21729392     10.34169236     -9.39367938
  O     11.27148086     10.10033572    -12.62046524
  H     15.17733483     11.68827813    -13.55929876
  H     15.80843337      9.99586856    -17.55787407
  O     11.67231142      7.32977526    -13.23103074
  H     16.90516352      6.13686796    -18.19653079
  H     15.85159459      8.46916043    -17.85014630
  O     17.56110005      5.94161504    -11.39823788
  H     15.99620596      6.31620810    -16.95897838
  H     12.78555677     10.01747474    -11.52119111
  O     18.04911612     10.81569947     -9.56161798
  H     15.88803115      5.99128195     -8.64213446
  H     14.28790495     10.32263489    -11.71645204
  O     15.30750181      9.26240894    -17.93308771
  H     16.41915920      6.33757251    -10.05222917
  H     15.32750940     12.37036016    -15.71659965
  O     13.65800522      9.87109327    -11.13530998
  H     16.97342099      8.45759406    -15.07829706
  H     14.82484317     13.69028554    -15.09385216
  O     14.72056731     12.74233179    -15.05681915
  H     17.65471773      7.64637928    -16.18928978
  H     12.79985580      8.11145195    -16.23060167
  O     13.21336770      8.98203504    -16.21819527
  H     13.87933450      5.79241158    -15.92395306
  H     13.84981562      9.04586159    -16.94662857
          69
 Energy    -248.48570830383431     
  O     10.22987269      8.39644722    -12.45551229
  H     10.94134589      8.99537544    -12.20138624
  H     16.28097173      6.97501581    -14.07186453
  O     12.06761485      3.61465699     -9.36225075
  H     10.47739158      8.04591584    -13.31992792
  H     14.41620564      6.11690546    -12.85440039
  O     15.68316785      4.13626538    -15.32314068
  H     12.06010831      2.80462206     -8.85812521
  H     13.00838512      5.48174919    -12.74802778
  O     16.74328094      5.87533108     -9.36297663
  H     12.99440377      3.78641337     -9.59615072
  H      9.52396870      7.26654059    -11.32737149
  O     15.06894193     10.85488814    -10.94417123
  H     14.88974937      3.61297038    -15.15858252
  H      8.22937139      6.82221905    -10.61121258
  O     11.15154175      6.25729376     -8.73276784
  H     16.36068001      3.78014400    -14.73260450
  H     17.24303805      8.66680534    -13.40967806
  O     13.60988783      8.72772470    -14.32856227
  H     16.39067106      6.78027275     -9.44357172
  H     18.53957808      8.12157945    -14.04396702
  O     13.41077548      2.61719826    -14.41335085
  H     17.24929501      5.85291723     -8.55496483
  H     13.24771690      6.94281358    -10.91357445
  O     17.49599458      3.21834674    -13.33011435
  H     14.18236431     10.56187315    -11.21558180
  H     12.40661821      7.16219777     -9.61020310
  O     15.04329736      2.28739502    -12.26881364
  H     14.96031434     11.71334449    -10.54281611
  H     17.53419671      5.63504053    -11.04603200
  O     14.62219659      4.19229565    -10.22256371
  H     11.40899746      5.33130681     -8.82251782
  H     17.91066190      6.35787344    -12.36330193
  O     15.40202572      6.63853759    -14.27942858
  H     10.39243004      6.38466547     -9.31724195
  H     14.70563190      8.04542081     -9.70162622
  O     13.74587462      5.81941959    -12.22541641
  H     12.77484407      8.35632189    -14.63667948
  H     15.66527009      9.19899251    -10.00090857
  O      9.14938666      6.59942087    -10.72557056
  H     14.24194994      7.99349214    -14.37034919
  H     15.23961694      9.72556027    -13.86165286
  O     17.80895076      7.87783952    -13.48082160
  H     13.16011531      1.75790247    -14.74271737
  H     15.82795526     10.34773926    -12.57928124
  O     13.05577356      7.56775542    -10.19985018
  H     13.93947771      2.46387135    -13.60948869
  H     10.93602563      3.93614717    -10.87276964
  O     17.88668921      5.49484288    -11.93286317
  H     17.65137498      4.03403191    -12.82047337
  H      9.89347805      4.98465268    -11.31890145
  O     15.63274499      8.31767324     -9.61853543
  H     18.33994302      2.78298409    -13.41341089
  H     12.78696877      8.97457312    -11.21980731
  O     16.06997287      9.95964445    -13.42975950
  H     15.92460913      2.51241481    -12.59556765
  H     13.03890881      9.38455906    -12.70484791
  O     10.39572504      4.21655291    -11.62100659
  H     14.91562925      2.82366339    -11.47663523
  H     11.39620841      6.38685540    -14.59853824
  O     12.72237822      9.71150532    -11.84973403
  H     15.35040892      4.67120731     -9.81116701
  H     10.73978194      7.21533959    -15.72561955
  O     11.21140526      7.29290971    -14.89993126
  H     14.33399844      4.74097820    -10.97055245
  H     12.26423753      4.03680984    -14.15529284
  O     11.74226197      4.80339805    -13.88711855
  H     15.50326650      5.79707713    -14.74775759
  H     11.18739506      4.53764759    -13.13513515
          69
 Energy    -248.48569506945989     
  O     11.66766401     10.39190726    -16.15106389
  H     11.64533007     10.99476234    -15.39432424
  H     18.89740859      7.83620487    -15.64576415
  O     14.36071061      6.60703586    -12.21122439
  H     12.25054672      9.66193625    -15.91230442
  H     16.55686482     11.00500226    -10.49388742
  O     16.50578485     11.58152619    -14.32631447
  H     14.96209697      6.71904121    -12.96445991
  H     17.32821033      9.90921665     -9.72515789
  O     12.72274452     11.51216691    -18.37215570
  H     13.71412333      5.96053702    -12.48442959
  H     17.53489159     11.33517773    -17.27527064
  O     14.09242373     10.57520931    -13.54338212
  H     15.61800757     11.26228615    -14.09458779
  H     16.03447011     10.97228615    -17.38980524
  O     14.25884552      9.14651093    -11.15277081
  H     16.56218282     11.64129399    -15.28833820
  H     11.49231838     12.31264936    -13.12853650
  O     13.52245250     14.40875848    -14.65249923
  H     12.06763796     11.62425894    -19.05523469
  H     12.38185918     13.01393303    -14.20499924
  O     17.21804246      8.25736002    -18.34698035
  H     12.26423684     11.13222012    -17.60031057
  H     15.72674012     13.07809351    -11.25971735
  O     13.17050174     11.50128301    -10.09401920
  H     13.31968163     11.15251220    -13.59957641
  H     16.05063114     13.36352973     -9.77768528
  O     17.75808089      6.46409581    -16.39278672
  H     14.07669018     10.10927149    -12.69815317
  H     15.26192234     12.94399259    -17.06100669
  O     16.04396485      7.24053185    -14.32207283
  H     14.22734855      8.22459152    -11.44490833
  H     13.79222081     12.82350844    -17.50552799
  O     19.29007853      8.66833852    -15.35450330
  H     15.17007832      9.33442255    -10.89542139
  H     17.27636965     10.14746844    -13.64741295
  O     16.86862523     10.08660624    -10.54290704
  H     13.85984243     14.06615218    -15.50017774
  H     17.46636683      9.48722299    -12.27071046
  O     16.64588874     11.66039264    -17.08817880
  H     13.24460993     15.30700194    -14.81262116
  H     14.89794981     14.05078766    -13.36711715
  O     11.91283316     12.19642788    -13.99351388
  H     17.87010802      8.95921803    -18.23105327
  H     16.10068345     13.09332792    -13.38259360
  O     15.81137846     12.66472059    -10.38127422
  H     16.35396735      8.69098454    -18.33847276
  H     14.14063969     10.26720340    -18.26056229
  O     14.39803399     13.36882804    -16.98870087
  H     13.38986539     10.59624236    -10.35340469
  H     14.52977544      9.31006865    -17.10438059
  O     17.57161854      9.33054708    -13.21457409
  H     14.00201043     11.98565831    -10.14444032
  H     11.73505726     12.14257154    -10.90771726
  O     15.64310470     13.74843792    -12.83600302
  H     18.04895255      5.63884477    -16.77074308
  H     10.21485340     12.37572932    -10.87824888
  O     14.85045695      9.70422259    -17.92990693
  H     17.52601354      7.04850288    -17.13725194
  H     19.93028660     10.54243882    -17.84193133
  O     10.98262910     12.45657593    -11.43739524
  H     16.55272603      7.95957886    -13.92009419
  H     19.20531527      9.77560085    -16.71105975
  O     19.06621269     10.30656583    -17.51556417
  H     16.59981199      6.85856657    -15.01238776
  H     13.96784178      9.39552982    -14.84577192
  O     13.94925151      8.69948972    -15.52077662
  H     18.83821345      8.90028921    -14.53274771
  H     14.59749604      8.05410228    -15.21490732
          69
 Energy    -248.48565541037112     
  O     -5.32856346      2.69490309      2.10942395
  H     -4.77448139      3.17125273      2.75404680
  H     -2.10812733      3.69456640     -1.73885060
  O     -2.53961456     -3.07064945      0.54527978
  H     -6.20997362      2.66383881      2.47203929
  H     -0.08179203     -0.77157964     -1.99333702
  O     -0.20047410      3.93991969     -1.44331110
  H     -1.62157039     -3.34861407      0.43142170
  H     -1.19343139     -1.82908677     -2.16460292
  O     -2.85499396      0.69649693     -1.38558575
  H     -2.56883892     -2.56965770      1.36920185
  H     -1.27394514      2.43185242      3.52252553
  O      1.13643264     -0.23437430      4.46551554
  H     -0.22101378      4.25251762     -0.52529107
  H     -0.51923251      3.34026359      4.49581408
  O     -1.21353235      2.08357809      1.80530249
  H      0.32979104      4.56549255     -1.93197797
  H     -3.40920968      5.66060469      1.24446225
  O     -1.66379807      0.11115339      5.19771556
  H     -3.04410877     -0.20868733     -1.66264262
  H     -3.04142051      7.01592587      1.89784045
  O     -3.09683152     -2.02938101     -1.90388422
  H     -1.89194586      0.80049475     -1.40374756
  H     -3.42633899      0.72224340      0.31353606
  O     -2.30992148     -1.25479371      2.75789703
  H      1.04376526     -0.87811853      3.75026652
  H     -4.24277705      1.35145032      1.50368881
  O      0.38684676     -1.74779097      2.18217788
  H      0.25293737     -0.15147979      4.83953556
  H     -3.33686569      4.83820754      3.21899858
  O      2.23153408      1.91056429      3.04734391
  H     -0.46582100      1.53381067      1.53598533
  H     -2.88116509      3.66501786      4.11450826
  O     -3.04934648      3.48776349     -1.74533721
  H     -2.03280318      1.62926417      1.57532889
  H      0.38152097      0.89744313     -0.65174722
  O     -0.24148044     -1.72216384     -2.04406727
  H     -1.56033649      1.06395606      5.03961545
  H     -0.05177848      2.02829201     -1.60667840
  O     -1.26756083      2.73573752      4.44614458
  H     -1.99633591      0.01700482      6.08741472
  H      0.51182876      4.59609706      2.82071800
  O     -2.79406576      6.09615701      1.86541423
  H     -3.69821093     -2.59864254     -2.37587027
  H      1.41612674      5.19862090      3.91681718
  O     -3.54587508      0.72381249      1.27421199
  H     -2.98601961     -2.41038942     -1.01421812
  H     -4.00766320      4.31761876     -0.49398616
  O     -3.66059564      4.09182234      3.73845102
  H     -2.80139203     -0.59185143      2.25016097
  H     -4.86199177      4.01740675      0.76548375
  O     -0.08570101      1.07300512     -1.48406591
  H     -2.17162444     -0.87713671      3.63489898
  H      1.56879330      1.13905770      1.60155776
  O      0.90133024      4.42688478      3.69310909
  H     -0.55401088     -1.60774006      2.36389376
  H      0.85709850     -0.22325455      1.34229592
  O     -4.44335117      4.72828354      0.26851161
  H      0.44396911     -2.41795008      1.49033039
  H      0.76220697     -4.20413481     -0.32578413
  O      1.00762371      0.65788285      0.97428341
  H      1.86366185      2.74692927      3.34789014
  H      0.16156945     -2.84601323     -0.76214205
  O      0.24329135     -3.46698095     -0.01616926
  H      1.91895465      1.22707432      3.66084776
  H     -0.80312520      3.73699536      1.40546995
  O     -0.49453754      4.64589621      1.25244165
  H     -3.10794026      2.52362736     -1.72980601
  H     -1.24514734      5.22835761      1.43239712
          69
 Energy    -248.48560521378118     
  O     17.95627796      9.16764823    -10.40411530
  H     17.70402108      8.31891617    -10.01903543
  H     20.11699099     11.00824972     -9.00651922
  O     13.84356744      9.46580657    -10.22087932
  H     17.17977588      9.55815318    -10.82426374
  H     19.80141521     10.31731626    -12.64820974
  O     21.58436521      7.52129894    -12.09648760
  H     14.37971571      9.71100266     -9.44347247
  H     19.07211635      9.27458281    -11.76103715
  O     15.41863721     10.23657803     -8.20758138
  H     12.95214592      9.74957184    -10.03840959
  H     20.01837586      5.12326130    -13.53595357
  O     22.99935293      8.91592439    -10.09371948
  H     20.93527099      8.20459914    -12.32195313
  H     21.04350787      6.26742325    -13.47295362
  O     17.01851748      8.31579296     -7.01490715
  H     22.22385477      7.95194942    -11.51673615
  H     18.14572968      5.89925629    -12.77201319
  O     21.44833675      7.51262431     -8.36846795
  H     15.94953296      9.58419052     -7.72658070
  H     17.41699797      4.92022664    -11.82463911
  O     19.78310354      8.95662133     -6.54281839
  H     15.95073706     11.03576471     -8.27743821
  H     15.84771568      9.75136751    -12.68363306
  O     17.53096983      6.68947164     -9.22853434
  H     22.48219496      8.43607824     -9.42088734
  H     15.10151203     10.15037765    -11.38208168
  O     17.21366605     12.48175642     -8.51826769
  H     23.91337331      8.85970926     -9.82713283
  H     16.63429860      7.97415634    -14.01994533
  O     17.56692042     12.51729105    -11.36756168
  H     17.12789285      7.64470805     -7.70297546
  H     15.37993289      8.40173983    -14.81383436
  O     19.30177244     10.72864359     -8.56369087
  H     17.90918255      8.48362405     -6.68831844
  H     22.05208920     10.58100501    -10.15051040
  O     19.59440592      9.37912870    -12.57161586
  H     20.92304723      6.87472183     -8.86714228
  H     21.14858476     11.62788603    -10.86864093
  O     20.50324149      5.74830328    -14.08510504
  H     20.86881253      7.89774101     -7.70081836
  H     14.24141776      7.85344506    -11.11739018
  O     18.25963717      5.08381858    -12.26632467
  H     19.63644818      9.65421901     -7.20549825
  H     14.87174138      7.49002534    -12.48174628
  O     15.88319266     10.33892671    -11.91877435
  H     20.14914643      9.38142675     -5.77080117
  H     18.71399167      8.17657747    -13.55627046
  O     15.74155070      8.34990943    -13.93254635
  H     18.42719279      6.44190545     -9.49707178
  H     19.02216823      6.85754872    -14.28969311
  O     21.50431009     11.36355734    -10.01140557
  H     16.92642812      6.07205193     -9.65689896
  H     19.17288737     12.31773148    -12.01073928
  O     14.51880833      7.11064011    -11.66781218
  H     17.31612541     13.19449952     -7.89246585
  H     20.26282488     12.82549625    -12.98418394
  O     18.29391934      7.41987075    -13.99215127
  H     18.00602650     11.92255955     -8.43989622
  H     15.32594744      5.71442716    -11.08446534
  O     20.05527877     12.12201387    -12.37524529
  H     16.93052558     11.85144954    -11.66144921
  H     15.28019403      4.28592168    -10.48451442
  O     15.87473124      4.98282274    -10.74764424
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  H     20.59256320      6.54216896    -10.88371708
  O     19.99995732      6.02526547    -10.32031187
  H     18.81843611     10.15827298     -9.18070758
  H     19.43165675      5.54415882    -10.93852936
          69
 Energy    -248.48543070397591     
  O     11.18550217      9.33595412     -9.35581771
  H     11.64929819      9.66554510     -8.57321658
  H     13.40476455     12.09316289    -14.41720946
  O     13.39247919      8.85066886    -17.16538079
  H     11.80369249      8.73775760     -9.78778971
  H     16.46228972      9.48163650    -11.18688603
  O     14.41786278      8.42455188    -14.60763046
  H     13.69645051      8.76832736    -18.06527861
  H     16.18900809      9.80650497     -9.71606676
  O     13.05720682     12.91328596     -8.17568767
  H     12.94116426      9.71182942    -17.10027817
  H     16.47615652      7.19798182    -12.37380121
  O     11.96951514     11.14804016    -16.88603613
  H     13.55408210      8.34563938    -14.17413518
  H     15.48166816      8.06128799    -13.17914993
  O     11.95829040      8.29735414    -13.33664786
  H     14.23230722      8.50710727    -15.55153908
  H     13.94201479     14.46000320    -12.30439834
  O     14.94801526      9.12237459     -8.56478875
  H     12.46618005     13.38603653     -8.77266907
  H     12.51153489     14.37509616    -11.72053146
  O     13.43670126     11.01746567    -11.34325144
  H     13.90628354     12.85267222     -8.63718116
  H     13.44912825      9.27258863    -11.00161899
  O     12.75120630     10.40068276     -7.24532183
  H     11.05751300     10.88314177    -16.71606097
  H     14.24869395      7.98786861    -11.31274561
  O     15.81942117     14.38376615    -11.82556655
  H     12.19117597     11.78866648    -16.19702203
  H     16.33569374     11.74671584    -13.18588466
  O     10.68777664     11.52349128    -10.94712441
  H     12.28741802      8.16493548    -12.44093156
  H     17.16286266     11.47924878    -11.92003938
  O     12.58064676     12.58438355    -14.54608215
  H     11.53006734      9.16565868    -13.36219814
  H     11.32752623     11.43590204    -13.91327943
  O     16.62989808     10.14788483    -10.51070641
  H     14.30571595      9.58427488     -8.01188228
  H     10.11838591     10.57051139    -14.35985078
  O     15.86865620      7.93082001    -12.29840643
  H     14.41603401      8.64443201     -9.21081113
  H     15.84499759     11.78458003     -9.99194461
  O     13.00891221     14.41927195    -12.54522938
  H     13.98982422     11.55748811    -10.76470848
  H     15.47843772     13.23896192    -10.42018688
  O     13.43304214      8.30413986    -10.90378384
  H     12.52065768     11.28876269    -11.21300664
  H     14.69695758     10.17967577    -14.15006284
  O     17.05617945     12.10466630    -12.64532491
  H     12.58413512     10.41454980     -6.30664469
  H     14.28795698     11.04703217    -12.92336567
  O     10.68320904     10.78018568    -13.60624039
  H     12.82526459     11.32900668     -7.53079985
  H      9.91995479      9.13594084    -16.04599466
  O     15.24606765     12.52191010     -9.81545211
  H     16.32968360     13.64383037    -12.20035011
  H      8.60637954      9.87515060    -16.40180035
  O     14.74909220     11.06734226    -13.77721578
  H     16.37930150     15.15461107    -11.87086927
  H     11.02548955     13.17208730    -10.44896261
  O      9.47119033      9.99995933    -16.02116933
  H     10.70984759     10.74148213    -10.37484267
  H     10.62126085     14.61174431    -10.05540103
  O     11.37545525     14.04290651    -10.19090289
  H     10.50342166     11.24287824    -11.85399746
  H     11.27018336      7.72014075    -15.01994229
  O     11.00574166      7.74871193    -15.94935354
  H     12.62902958     13.32920945    -13.92972735
  H     11.80688754      7.96236855    -16.44339071
          69
 Energy    -248.48537201715760     
  O      2.53958342     -0.89267802      6.75903612
  H      3.27777625     -1.02677156      6.14839509
  H      3.87390437      2.16606844      3.28266442
  O     -0.81181930      2.06238669      6.96928791
  H      2.18520121     -0.01464154      6.56411811
  H      1.72970913      1.73194039      2.80790112
  O      0.69927987     -4.89013909      2.77841772
  H     -1.11111107      1.18371440      7.26613736
  H      0.92621660      0.40327254      2.83598566
  O      2.79740447     -5.06231581      7.23036154
  H     -1.27605700      2.70505047      7.49855838
  H      5.00380201      0.17085052     -0.03855031
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  H      4.43882543     -0.45659260      1.24539026
  O      4.17852938     -3.89841344      5.21810196
  H      0.60309209     -5.08155467      3.72393065
  H     -0.81754926      1.25320219      3.81302113
  O      1.69017891     -2.82459010      8.57930500
  H      3.34244085     -4.64775998      6.53669461
  H     -1.47062047      1.52909951      5.17377876
  O     -1.66914721     -0.43569818      7.51770482
  H      3.31918798     -5.76667417      7.60527379
  H      4.89139348      2.33322059      5.66833953
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  H      3.46184584      1.78846871      5.45544755
  O     -1.78038326     -4.00593170      6.58104839
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  H      0.85369313     -3.20847330      5.21261709
  O      3.63784877     -1.81647001      2.15354596
  H      4.42938390     -2.97034263      5.14319817
  H      1.41085100     -1.83046101      5.70499996
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  H      3.72725445     -5.33468414      2.08249160
  O      0.93170901      1.31256178      3.16337294
  H      2.04569252     -2.08400677      8.06920938
  H      2.41805705     -4.68388606      2.58355867
  O      4.76439209      0.37283361      0.86253816
  H      2.09557498     -3.61940350      8.21249443
  H     -0.86394765     -1.81968222      4.99338576
  O     -1.60498836      1.06218024      4.34137718
  H     -1.43669366     -1.15811633      8.11383018
  H     -1.85249318     -0.68729067      4.59107190
  O      4.37506325      1.74056290      5.12718654
  H     -1.86154079     -0.84602499      6.66776084
  H     -1.69645244     -2.50680024      3.18290241
  O      0.85211825     -2.25786429      5.04569105
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  H     -2.24182207     -3.01696250      1.83552330
  O      3.38574034     -4.57881728      2.55310323
  H     -0.00023552     -2.76569116      8.87775852
  H      1.23041981     -5.15808048      6.19495796
  O     -1.80410978     -1.62309759      4.84558350
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  H     -0.28631081     -4.79489937      5.96886548
  O     -1.43927434     -2.91507120      2.34206068
  H     -1.58413740     -3.60940112      7.44073577
  H      1.41629476      1.46810833      4.89775411
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  H      3.67697002     -2.77995080      2.19147028
  H      0.89800698      1.85626963      6.30368318
  O      1.68888198      1.58704142      5.82056529
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  O      0.94465647     -1.37456977      2.46844897
  H      3.89692638      1.67186933      1.82393203
  H      1.01787866     -1.68937917      3.38510872
          69
 Energy    -248.48513090871941     
  O     -2.63797663     -2.07122677      5.53495302
  H     -2.74319226     -2.22975576      6.46857540
  H      0.67616294     -2.98378626      3.73901831
  O     -6.18519679     -2.31121611      2.59677593
  H     -2.74503376     -2.93150258      5.08673143
  H     -5.17851890     -3.01889977     -1.87432137
  O     -1.87589037     -0.07452747      1.86611904
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  H     -3.96291716     -3.03584018     -2.82451437
  O     -5.28119611     -2.82004097     -0.00359530
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  H     -1.09907049     -1.69768030      4.51225567
  O     -2.34068096     -5.92292529     -2.32825488
  H     -2.13862564     -0.60079594      1.09236015
  H     -0.80065987     -1.09779509      3.12757727
  O      0.63425022     -3.38495471     -1.88384319
  H     -1.60103472      0.77730944      1.53575053
  H     -3.68985635     -4.71668413      3.78761520
  O      0.79543056     -3.92576509      0.91174899
  H     -5.70584244     -2.58497026      0.83046141
  H     -2.17596207     -5.02491901      4.17524844
  O     -2.56976936     -6.20310371      0.37460738
  H     -4.41112493     -2.39617504      0.00409048
  H     -0.12900971     -7.42749316      1.19488671
  O     -1.90944578     -3.81510909      1.53274704
  H     -2.33337140     -6.04419135     -1.36534722
  H     -0.58104765     -8.70364099      1.95046320
  O     -2.68309580     -1.81503250     -0.07578882
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  H     -5.64646617     -4.11981162      2.91057826
  O     -5.15099294     -5.98596025     -2.70068467
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  H     -5.38246786     -5.39487230      2.09367770
  O      1.24787984     -3.76991007      3.67155874
  H      0.71384376     -4.28704123     -2.21685658
  H     -0.63208678     -6.57376112      3.29983600
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  H      0.04489999     -5.29774370      3.87374652
  O     -0.41010936     -1.61556252      3.84063522
  H     -0.15429527     -3.84150564      1.08177773
  H     -3.67405283     -1.16681378      4.27261085
  O     -2.86734645     -4.34679517      4.13816457
  H     -3.53234283     -6.18975539      0.46637602
  H     -3.40927485     -0.46675407      2.92840127
  O     -0.78819107     -7.78236529      1.82049111
  H     -2.16874210     -6.87533484      0.93821648
  H      0.96921547     -5.68933180      0.38621183
  O     -5.26508590     -5.00608164      2.96756911
  H     -2.19125180     -3.86735072      2.45315991
  H      0.81866859     -6.57669624     -0.86331497
  O     -0.66496313     -5.93495607      4.02149178
  H     -2.14295762     -4.65533997      1.11287299
  H     -0.58724980     -6.13431536     -2.65876880
  O     -4.11291984     -0.81945624      3.48538912
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  O     -2.04183664     -3.08919192     -2.45359811
  H     -5.12673391     -5.01653983     -2.80216889
  H     -5.35829144     -5.91825710     -0.75557205
  O     -5.25755840     -5.62850020      0.15850378
  H      1.99423655     -3.61324467      4.24395018
  H     -5.24923127     -4.65939845      0.12183228
          69
 Energy    -248.48505796067224     
  O     -1.21625158      1.93530168      4.14157651
  H     -1.35310215      1.48855524      4.97268685
  H     -2.76705882      6.56258039      0.66823328
  O     -2.50826017      4.03214644     -4.58315868
  H     -0.25354556      1.96184663      3.99708597
  H     -2.62957786      4.79434643     -2.93567669
  O     -3.89962482      5.52241421      1.79344089
  H     -2.07330880      4.37252823     -5.36217850
  H     -2.94332599      4.47276704     -1.43622256
  O     -2.35965847     -0.61025456      0.07190139
  H     -2.21188356      3.11528930     -4.49120057
  H      3.72741598      4.67447948      3.47120291
  O      0.74926720      1.82389632     -2.74434171
  H     -3.26845857      5.19339741      2.45839313
  H      3.17638882      4.25211164      2.08985474
  O      0.31639007      7.62678494      0.85301163
  H     -4.62835641      5.90568007      2.27431880
  H      0.07504587      4.01641149      1.45575217
  O      1.46211731      1.97537216      3.65035496
  H     -1.44779418     -0.52856422     -0.26651785
  H     -0.84120717      2.80878792      1.06001689
  O     -3.29374720      1.23885244     -1.88980718
  H     -2.52890631     -1.53894460      0.19957963
  H     -3.94313976      4.17628395      0.46811797
  O      1.76738874      1.17992322      0.99445413
  H      0.55539693      2.71961152     -2.42300870
  H     -3.22794796      2.82683532      0.48493789
  O      0.12878893     -0.18539614     -0.80001437
  H      0.01782727      1.60216488     -3.33184425
  H     -1.85775257      3.74968358      3.86738399
  O      3.50171097      4.18869737      0.39785279
  H     -0.57995365      7.42375898      0.52751627
  H     -1.19024057      5.02292799      3.32717658
  O     -2.15787921      6.95550281      0.03208797
  H      0.35533146      8.57107408      0.97710672
  H     -1.98191282      1.69226776      2.47775074
  O     -2.50323747      5.09954576     -2.02729151
  H      1.98089142      2.78615123      3.58676139
  H     -2.28226385      0.86540269      1.17618887
  O      2.94458305      4.35414950      3.03170355
  H      1.64797107      1.50201282      2.82752356
  H      1.31322425      5.17787139      2.80953993
  O     -0.03255328      3.28568686      0.83376020
  H     -3.58916278      2.00392357     -1.38191437
  H      0.45248524      6.23160586      2.03397239
  O     -3.70319065      3.43422449     -0.10117316
  H     -3.07934957      0.55436450     -1.24400750
  H      1.41041836      5.55061312     -1.31273553
  O     -2.04741363      4.64798099      3.57706890
  H      2.42993235      1.31853160      0.30753891
  H      1.51885760      6.73227986     -0.33567221
  O     -2.24899043      1.75451836      1.55182381
  H      1.18023953      1.95289313      0.94864885
  H      0.09358987      3.93251294     -0.79014792
  O      0.41097333      5.43775131      2.58338238
  H      0.69481383      0.11204152     -0.07503161
  H     -0.75229414      4.61187516     -1.89557565
  O      2.04639833      6.14009467     -0.88384369
  H      0.28215901      0.44787656     -1.51131824
  H     -2.29090268      1.30951423     -3.29534856
  O      0.12725826      4.26493898     -1.70131557
  H      3.47275538      3.45132871     -0.21853848
  H     -1.96247395      0.63129594     -4.64521260
  O     -1.71538318      1.35973813     -4.08115359
  H      3.07276068      4.93206780     -0.05410453
  H      3.91042521      1.52174316     -1.88211756
  O      3.19276329      1.87327473     -1.36031478
  H     -2.26586058      6.44544691     -0.78198186
  H      2.40298878      1.83551646     -1.92276517
          69
 Energy    -248.48502020180217     
  O     12.21100212      6.05908303    -11.82929157
  H     12.86566170      5.40714681    -12.10499990
  H     14.67279584      5.93188339    -15.05789028
  O     16.78348529     10.39046792    -14.87202984
  H     12.61710206      6.56547806    -11.11120641
  H     16.82270627      5.94047300    -14.04967475
  O     17.30477921      8.84375378    -12.62187516
  H     16.08916678      9.96045415    -15.39021302
  H     18.32138120      6.28272534    -14.23190318
  O     15.37163253     12.62139522    -13.79433658
  H     16.39089340     11.18912548    -14.49974817
  H     14.29980591      8.08308738    -11.75604545
  O     13.68230086      7.64749101    -10.07957003
  H     17.25207766      9.41267431    -13.40149049
  H     15.51291924      8.60239324    -12.58134467
  O     14.73564922      9.25142705    -16.48322966
  H     17.49570200      7.94700673    -12.93061333
  H     15.13350088     10.11186790     -9.73160803
  O     13.36438960     11.40262934    -15.50018985
  H     14.77608503     12.49839036    -13.03862772
  H     14.02455483     10.99655065    -10.34616354
  O     17.02331980      5.67997017    -17.10081255
  H     15.74329679     13.49642122    -13.70613124
  H     14.64096795      4.47537096    -13.53499029
  O     11.01213359      7.62011931    -13.68058025
  H     14.44911032      7.25914675     -9.63925248
  H     14.08120993      3.25985633    -12.76622122
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  H     13.69594576      8.59406955     -9.86700411
  H     13.23966545      9.55407091    -12.97354673
  O     13.55323735      7.31312780    -14.90253304
  H     14.30140506      8.52743972    -16.01177655
  H     11.75959090      9.35406076    -13.33010062
  O     15.35325574      5.24810670    -14.97480103
  H     14.21367399     10.04817215    -16.30910655
  H     16.32983693      6.13240606     -9.80641996
  O     17.60959374      6.24978547    -13.58050008
  H     14.00971168     11.97484083    -15.06936520
  H     16.41825962      6.26394417     -8.26695712
  O     14.56972503      8.40743100    -12.62504995
  H     12.91031072     10.94502639    -14.77948614
  H     20.33202710      6.40729244    -15.85800590
  O     14.18332294     10.30899553     -9.69465368
  H     16.81239545      6.48148437    -17.59539368
  H     19.19828407      7.45440329    -15.97806055
  O     14.25400003      4.19560623    -12.68835208
  H     17.89424922      5.83625303    -16.71535315
  H     16.68513361      8.50597348     -9.54339824
  O     12.42298896     10.03668079    -13.17975327
  H     10.11157713      7.34047049    -13.81752585
  H     17.10452559      9.27375777    -10.80947415
  O     16.13447157      6.71985112     -9.05444940
  H     11.38236978      7.04419051    -12.98540558
  H     16.26803915      8.47573571    -19.18971153
  O     19.39931964      6.53889818    -15.71252026
  H     15.72811018      4.78140182    -11.61808209
  H     15.82271685      8.62543824    -17.71663195
  O     16.79330683      9.39529846     -9.90284413
  H     17.04731394      5.49940429    -11.95843730
  H     17.99188281      8.80252441    -17.24856767
  O     16.50327998      8.24100131    -18.29578405
  H     12.60835057      7.33510315    -14.71668044
  H     18.14821877      9.59824932    -15.94115749
  O     18.61614163      9.00173878    -16.53859019
  H     13.98194156      7.62865478    -14.08893842
  H     12.94110487     11.46368744    -12.25479918
  O     13.42917864     12.18870462    -11.82780806
  H     15.88343271      5.27174638    -15.78480181
  H     12.77506722     12.77528502    -11.45415770
          69
 Energy    -248.48486181133251     
  O     11.68233321     15.06252609    -12.65257534
  H     10.99882663     15.72315484    -12.73472930
  H     13.23952204     12.90707137    -13.98301714
  O     13.54797481      8.90339410    -17.68720188
  H     11.51767212     14.41966901    -13.35875265
  H     16.69769475      9.70940141    -11.86656008
  O     11.13196661      9.52736788    -11.66359556
  H     13.89976017      8.36723662    -18.39204799
  H     15.18939425      9.69613278    -11.53029449
  O     13.84627107      9.06764863    -14.89606695
  H     14.03049047      9.75073685    -17.70544441
  H     14.13137087      7.83792570    -13.54866458
  O     13.19411104     12.25590107     -9.51509585
  H     10.93925597      9.91815644    -10.80175938
  H     15.04368009      7.80988913    -12.31155919
  O     14.74079407     11.32752400    -17.45901354
  H     11.39629637      8.61068734    -11.50258145
  H     13.66825993     13.73066201    -10.56868496
  O     11.39396421     10.31332779    -14.31973295
  H     13.74863329      8.84786923    -15.83104389
  H     13.21180688     14.70971790    -11.67483156
  O     12.86971861      8.48393208     -8.74349658
  H     14.56581866      9.71203027    -14.83604560
  H     12.99661590      7.06140098    -11.70266825
  O     13.72662670     10.65479913    -11.72156765
  H     12.38131972     11.84934776     -9.19738652
  H     11.89778080      6.11392653    -11.16338828
  O     11.04518822     10.46583852     -8.98052896
  H     13.47977829     11.69299282    -10.25202944
  H     17.27428741     11.78700320    -12.12545477
  O     16.55503529     12.90286283    -11.01632091
  H     15.22270173     11.33416439    -16.62079532
  H     18.59874205     11.24644157    -12.71108770
  O     14.08392751     12.72918974    -13.55089066
  H     14.02718268     11.97179835    -17.38188561
  H     11.38825530     12.14213515    -14.48128251
  O     16.00840999      9.17791995    -11.45243057
  H     12.25306210      9.89464317    -14.47743541
  H     11.76579928     13.15396533    -15.59345946
  O     14.33084788      7.32876814    -12.75118608
  H     11.10936184     10.03267927    -13.44093157
  H     15.81536008     10.75981417     -8.53673874
  O     13.99527195     14.30002519    -11.27955623
  H     13.82536063      8.59925666     -8.67664529
  H     14.87989616     11.96536439     -8.71556916
  O     12.23104805      7.00485621    -11.10235025
  H     12.71521356      7.88254699     -9.48282541
  H     15.21820071     11.75985128    -14.43745368
  O     17.65774023     11.09447933    -12.69595430
  H     12.85184494     10.25428013    -11.79076447
  H     16.54621038     11.01174551    -14.24284823
  O     11.56451499     13.07930991    -14.65142686
  H     13.80812613     11.32725152    -12.41082314
  H     11.96601799     13.30158323    -18.14036125
  O     15.80969728     11.72020757     -8.61333230
  H     10.39183366     10.41364133     -8.28834208
  H     11.80023246     11.96871311    -17.37001898
  O     15.79350404     11.08839011    -14.83920533
  H     11.70089802      9.76545163     -8.80277555
  H     15.89069002      8.89416445     -9.70696617
  O     12.25287162     12.83189390    -17.36123276
  H     16.41302114     12.50342132    -10.14456478
  H     16.35711652      8.25923139     -8.37606178
  O     15.69534115      8.83164532     -8.75646645
  H     15.85876287     13.55855178    -11.12078661
  H     11.84605149      9.73673143    -17.40962052
  O     11.14834675     10.35280979    -17.15148299
  H     14.16077276     13.33876245    -12.80436219
  H     11.03603154     10.24703069    -16.19731740
          69
 Energy    -248.48465239479606     
  O     -4.59458787     -0.02213476      0.03145174
  H     -4.66405364     -0.25229654      0.97369112
  H      0.75537792     -5.01092105      1.76255222
  O     -3.14030129     -2.25340979      6.42511162
  H     -5.21279197      0.68762144     -0.12290261
  H      0.89810901      0.83242247      3.77767825
  O     -2.15040839      0.17072475      3.54479709
  H     -2.31699826     -1.80447254      6.17209005
  H      1.55268019     -0.55190518      3.65501919
  O     -4.58551250     -0.80774124      2.65277624
  H     -3.11945539     -2.33141871      7.37665541
  H     -1.27952668     -1.33310623      0.90341323
  O     -2.91636768     -4.66523089      4.87461330
  H     -1.72625436     -0.27585617      4.29177160
  H     -1.45604927     -1.06304942      2.41745250
  O     -0.77000925     -1.25171216      5.50354056
  H     -1.55802861      0.87892669      3.25774710
  H     -1.76042930     -3.30177995      2.10474414
  O     -0.12028423     -3.89974334      5.29269801
  H     -3.75993348     -0.41197883      2.96610759
  H     -3.11182872     -4.03448776      1.93918064
  O     -5.58198563     -4.76922687      4.15956315
  H     -5.05755386     -1.11112847      3.44219139
  H      2.02231065     -1.62605748      1.44208834
  O     -1.86312130     -0.40112465     -0.61997794
  H     -2.96021095     -3.83829917      5.37331860
  H      0.66681410     -1.83687747      2.13837692
  O      1.80477741     -4.41078812      3.27043076
  H     -2.60492310     -4.46066359      3.97741812
  H     -4.74403803     -2.58339773      2.04532754
  O      0.47005312     -3.18381224     -0.96769522
  H     -0.49286609     -2.17962162      5.43843318
  H     -5.25510184     -3.98675496      2.45850446
  O      0.14184143     -5.09287627      1.02328025
  H     -0.00499156     -0.71989129      5.24106745
  H      1.58939347     -1.92662686     -0.62784172
  O      1.27716066      0.11455396      4.29887567
  H     -0.89920939     -4.45642131      5.19897858
  H      2.94662650     -1.26211088     -0.96334337
  O     -1.09338135     -1.69108932      1.77996318
  H      0.51384922     -4.18474430      4.62275643
  H      0.07472318      1.61394846      1.73450200
  O     -2.20711002     -4.14844027      2.25600362
  H     -4.66169609     -4.86514177      4.45813651
  H     -0.07960693      2.88704162      2.59779771
  O      1.62473508     -1.86024621      2.28951868
  H     -6.03821494     -5.56776417      4.41149718
  H      1.11698508      0.31786345     -0.02979357
  O     -4.86140815     -3.49132049      1.73046556
  H     -1.87857993     -1.12033593     -1.26475050
  H     -0.38127814      0.60799249     -0.21569096
  O      2.20725452     -1.21856993     -0.36385585
  H     -2.78151854     -0.17715732     -0.42401635
  H     -2.21863032     -2.91657693     -3.11419089
  O     -0.17641471      1.93875608      2.61773839
  H      1.83152455     -3.49630903      2.93968955
  H     -2.95265614     -2.84099722     -1.75800388
  O      0.43282215      0.97010580      0.16148731
  H      2.70617715     -4.66407567      3.45359832
  H     -4.77826423     -1.98237056      5.49727324
  O     -2.08846651     -2.72095959     -2.18973833
  H      0.38636640     -3.89193755     -0.31182784
  H     -5.74214403     -2.91220593      4.74109564
  O     -5.55527684     -1.98347636      4.92283651
  H     -0.38044405     -3.12200627     -1.41413616
  H     -4.65772176     -1.79460445     -0.75423482
  O     -4.49896615     -2.72865763     -0.93754085
  H     -0.73475857     -4.95158215      1.40474779
  H     -4.69246305     -3.17877033     -0.10482476
          69
 Energy    -248.48442110083585     
  O     15.49144916     10.40975716    -16.46134672
  H     14.70083581     10.57674502    -15.93488109
  H     19.87443966     10.57135381    -18.30327156
  O     14.78082342      5.97976871    -13.54168986
  H     16.08389494      9.86335587    -15.91508094
  H     18.06773925      8.89284302    -14.95369639
  O     18.06425483     13.61103947    -11.16648715
  H     14.53640149      5.13253428    -13.17914855
  H     16.77893057      8.70498480    -14.06744538
  O     19.89431244      9.05443530    -15.14798260
  H     15.57125432      5.83600499    -14.09295691
  H     13.27420804      9.43982659    -14.94914907
  O     17.82379930      9.92319305     -9.05853272
  H     18.74140539     12.99236516    -10.83749813
  H     12.31069498     10.65002586    -14.89868997
  O     15.92633324      8.34085609    -12.47581581
  H     18.35178662     14.48788123    -10.92845477
  H     18.21103155      8.65747380    -10.39079210
  O     17.49347514     12.15394325    -13.51981692
  H     20.24591082      8.15128382    -15.17347382
  H     18.79615804      8.89954875    -11.79721339
  O     20.63356533      6.44148631    -15.12066122
  H     19.87227051      9.40333456    -16.04575476
  H     14.08176284      7.68031453    -16.21464073
  O     18.81956035      5.33166318    -17.07236167
  H     17.61923514      9.82988201     -8.13199387
  H     13.88682981      7.11586470    -14.78567755
  O     17.02686524      5.97854297    -15.02812015
  H     17.15872635     10.52859940     -9.43241290
  H     19.24637845     11.05846379     -9.77671660
  O     19.01804157      5.96229832    -12.89539241
  H     15.50213442      7.49719280    -12.66766521
  H     19.86145585     11.16180782    -11.18172071
  O     19.30521714     10.14044096    -17.67087957
  H     16.73107807      8.18737677    -11.95960969
  H     18.76312709     10.90943074    -13.04928386
  O     17.10967307      8.76510194    -14.97330542
  H     17.68144988     12.79003337    -12.81782496
  H     19.79136883      9.87865610    -13.57814090
  O     13.22268945     10.39823925    -14.78078964
  H     16.63710304     11.75638488    -13.30915850
  H     15.62562792     11.49312595    -11.00027048
  O     18.36126410      8.23203928    -11.24431420
  H     20.14147300      5.97219131    -15.80389816
  H     16.67859632     12.47616857    -10.45998412
  O     13.55486194      7.76972851    -15.41213438
  H     20.22178657      6.19942554    -14.27722247
  H     18.37456991      8.50182530    -18.04102823
  O     19.75414824     11.64537327    -10.34981164
  H     18.99330548      4.67911241    -17.74476485
  H     17.00352359      7.77707520    -18.08703427
  O     19.44214810     10.27976191    -12.77032970
  H     18.55881383      6.15021867    -17.53293355
  H     14.36959539     10.88076596    -13.35452652
  O     16.12479334     11.72685646    -10.20732520
  H     17.58931869      5.59265966    -15.70999128
  H     15.34364872      9.99898335    -12.55067355
  O     17.95449193      7.64414240    -18.17745581
  H     17.05955903      6.93791810    -15.15771881
  H     17.80811914     12.13750071    -15.39487625
  O     15.09139782     10.92090551    -12.71777995
  H     18.83413320      6.65390501    -12.24836333
  H     16.91889013     11.60740273    -16.52497468
  O     17.79708789     11.97057743    -16.34600100
  H     18.26748763      5.94115177    -13.50090814
  H     14.61486083      8.19828244    -18.68711096
  O     15.11623695      8.10103744    -17.88018361
  H     18.80171770     10.84401915    -17.22350987
  H     15.21484013      8.99298830    -17.50492030
          69
 Energy    -248.48437195111268     
  O     13.94176749     11.74744069    -13.26348535
  H     14.56798444     11.79243503    -12.53082610
  H     17.69380291     11.61345822    -13.66696470
  O     15.18053689      6.14300622    -14.14521570
  H     14.37952067     11.25932783    -13.96884437
  H     15.62779660      8.71964421    -12.21384643
  O     16.19318106      6.64237222     -9.99033953
  H     15.49163839      5.46512824    -13.53211154
  H     16.98143895      8.64490045    -12.97688165
  O     18.78894004      8.77176439    -12.76191302
  H     15.49257485      6.98394251    -13.77390181
  H     10.79200722     11.38592527    -12.94984702
  O     11.81734666      6.29573793     -9.90861090
  H     15.78904152      7.51008492    -10.13563095
  H     12.32361226     11.17104905    -13.03817999
  O     12.53499145      6.65156525    -13.61704084
  H     15.57765190      6.14240382     -9.43875322
  H     14.74355327      3.72003985    -11.36802395
  O     14.97676627      9.05579716    -10.56881671
  H     18.99190264      8.25206706    -13.55196607
  H     13.19043761      3.73486440    -11.35152073
  O     11.56043705      4.56325061    -11.99242137
  H     18.91147169      8.19767249    -11.99492775
  H     11.96148578      9.61886235    -14.50423300
  O     19.00926451      7.11249476    -15.00728890
  H     12.60859743      6.05519683     -9.41255769
  H     12.36325271      8.15645607    -14.74104430
  O     16.56134148      7.45567208    -16.18637573
  H     11.99111617      7.15257142    -10.32094049
  H     19.41143416      6.85994002     -9.84773917
  O     18.76744579      5.14353823    -12.89116456
  H     13.43727239      6.40246001    -13.86593990
  H     17.94416420      6.82352377    -10.33005742
  O     17.89293312     11.43629377    -12.73676583
  H     12.13787660      5.88231870    -13.19184011
  H     16.16085275      5.34761115    -11.39450132
  O     16.02779066      8.52710820    -13.06994635
  H     15.20300776      9.99329747    -10.62398964
  H     17.10612691      4.63777175    -12.39163762
  O     11.46735230     10.71357710    -12.95077388
  H     14.05202621      8.94129089    -10.83591488
  H     14.10702349      4.48398942     -9.41595673
  O     13.96829305      3.49119902    -10.83582501
  H     10.72439076      4.10432797    -11.99289777
  H     14.13799564      4.69439668     -7.88226555
  O     12.42863702      9.04299822    -15.12058705
  H     11.55918460      5.15171366    -11.21550962
  H     16.37832977     11.07746940    -15.49942867
  O     18.86322372      6.93546542    -10.62494764
  H     18.16414451      7.24344470    -15.47030281
  H     16.97694790     12.36796942    -16.07749879
  O     16.19783566      4.64375849    -12.05587340
  H     19.67926943      7.03923978    -15.68247330
  H     12.01688657      9.28617919    -11.90410779
  O     14.19749401      5.15562248     -8.71472258
  H     16.08469442      8.29099348    -16.15958381
  H     12.53184753      7.87109150    -12.25527653
  O     17.11260772     11.70355731    -15.40600334
  H     16.02501459      6.83732968    -15.66874253
  H     15.92665492     12.43864349    -10.51868205
  O     12.46046621      8.51327495    -11.53337014
  H     18.95581224      5.69655179    -12.12275669
  H     16.57733755     11.61422809    -11.65521074
  O     15.78495262     11.68973262    -11.09145184
  H     18.85630209      5.71936357    -13.65996707
  H     15.40108529      9.40673108    -14.47007764
  O     15.04784448      9.85758799    -15.25381928
  H     18.35697492     10.58979117    -12.71774378
  H     14.12351461      9.58168959    -15.34644726
          69
 Energy    -248.48430697511756     
  O     13.85210822      3.52174290    -15.55788339
  H     13.16516235      2.86610815    -15.46567605
  H     17.22045392      8.83009599    -18.07803917
  O     17.63952244      7.43280970    -11.98976607
  H     13.99579160      3.90183161    -14.67470791
  H     16.86365227      7.22235695    -16.51225747
  O     19.30524874      6.20959493    -18.00542564
  H     18.47720032      7.54679997    -12.46188299
  H     15.52919262      6.43229965    -16.29750951
  O     17.23896284      4.51269954    -19.03310819
  H     16.97027453      7.83827315    -12.55814830
  H     12.58693841      7.61342098    -14.51286254
  O     13.46997987      7.34884043    -10.14831084
  H     18.87634375      7.07252629    -17.91121131
  H     11.84640983      8.49755022    -15.53016195
  O     14.34180236      4.68483169    -13.12444796
  H     18.64574614      5.62066450    -18.39071348
  H     16.81170756      3.45409185     -9.43693498
  O     15.87867220      8.46796770    -13.88560501
  H     16.92285228      4.00199387    -18.26763618
  H     16.60409507      4.22778306    -10.75885048
  O     17.94987251      4.59526545    -14.97188459
  H     17.40617759      3.88125594    -19.72869780
  H     13.76635254      5.10504894    -16.53971872
  O     13.50733945      4.47693206    -10.52629034
  H     14.42198551      7.29154884     -9.94810516
  H     13.25464922      6.57570778    -16.46754798
  O     16.42179787      3.15713331    -16.81442432
  H     13.07019496      7.85035386     -9.44307040
  H     19.95602059      7.20244221    -14.40751269
  O     20.41382756      5.76947857    -15.59483394
  H     13.91821734      4.50044007    -12.27233318
  H     19.26052605      8.57893835    -14.28231066
  O     17.84215758      8.48213961    -17.42057996
  H     15.29243254      4.71628854    -12.95216204
  H     17.27391881      5.68408538    -12.22718042
  O     16.37364618      6.66692916    -15.89056882
  H     15.00625398      8.26059856    -13.53062290
  H     17.43375743      4.54541533    -13.26347707
  O     12.25066183      7.63996552    -15.42164219
  H     16.04701711      7.81068743    -14.58014991
  H     16.23286187      6.03417433     -9.56556169
  O     16.27240977      4.12316722     -9.85042426
  H     18.86216248      4.86752129    -15.12794617
  H     16.73101373      7.24953649    -10.37449096
  O     13.87749671      5.98625468    -16.91656333
  H     17.39142527      5.32393287    -15.28877525
  H     15.91248008      5.84848430    -19.28957570
  O     19.67684699      7.87404538    -13.77354768
  H     14.37602822      4.26099572    -10.16179061
  H     14.63199179      6.31825276    -18.57094660
  O     17.04193249      4.76103857    -12.40630186
  H     13.35215456      5.40311930    -10.30327280
  H     13.38858303      7.46101224    -11.99667504
  O     16.11281633      6.98486649     -9.67952310
  H     17.02271626      3.49707126    -16.13652130
  H     13.78355860      6.44211998    -13.09062556
  O     15.21812198      6.51783464    -19.31341142
  H     15.54084486      3.18456643    -16.42498661
  H     18.02063153     10.83119529    -14.70981561
  O     13.50123352      7.35769762    -12.94973398
  H     21.31539346      5.47305819    -15.68396398
  H     17.17684791      9.54660077    -14.55844186
  O     17.96212400      9.92116784    -14.99071274
  H     20.07800852      5.92427197    -16.49702403
  H     15.66223087      8.21355797    -19.37295941
  O     15.98197423      9.13079328    -19.30210401
  H     17.92601947      9.11918632    -16.70228413
  H     15.83038904      9.52902732    -20.15450555
          69
 Energy    -248.48419463092702     
  O     12.81601436      8.49725662    -16.21843834
  H     13.56485436      7.99369694    -16.56449125
  H     17.92301551      5.85541436    -14.51922096
  O     17.47677839      7.09337156    -13.20044696
  H     13.05590423      9.42602229    -16.31870779
  H     16.91034074     11.05739705    -17.02002821
  O     16.87589082     10.97791110    -12.04943628
  H     18.11343965      7.67634893    -12.77165749
  H     16.44947627     10.07237985    -18.10196945
  O     18.12559485     10.96166218    -15.64541469
  H     17.05584129      7.64201236    -13.88113051
  H     15.69763276      9.36407327    -14.52480695
  O     15.26432186      4.64314408    -15.79824650
  H     16.43838218     10.71675107    -11.22751639
  H     17.01344289      9.46512520    -15.30857439
  O     15.26137417      9.94666070    -10.06431699
  H     16.17747684     10.94687071    -12.72015898
  H     12.15664291      7.82654854    -14.77015828
  O     15.31459335      6.64429521    -11.58057602
  H     18.09806146     11.69643431    -15.01592559
  H     10.91164902      7.30372811    -14.01382528
  O     14.71210391     10.64981177    -13.73224723
  H     18.94339251     10.48150096    -15.46952701
  H     19.88195811      7.78312648     -9.50950186
  O     19.08984929      7.61451021    -16.66939989
  H     14.97420420      3.77561556    -16.06641985
  H     19.10336802      8.48755789    -10.63008917
  O     16.40240410      7.48471518     -9.11228371
  H     14.75886562      4.87062463    -14.99697511
  H     13.11383164      6.01684938    -13.73771508
  O     20.22297053      9.25869374    -14.86849025
  H     15.61059349      9.14857694     -9.64941115
  H     14.32492286      5.69240006    -12.83898034
  O     18.00551483      5.41513571    -15.37670124
  H     14.52731568      9.65602533    -10.61892634
  H     17.69400090     12.31444095    -12.95188164
  O     16.18931591     10.87793954    -17.64037782
  H     15.61342867      6.79578918    -10.67681577
  H     17.88458999     13.77177571    -13.40211666
  O     16.35553584      8.83342775    -14.99200882
  H     16.09777027      6.74271422    -12.14385547
  H     18.32792052      9.85794029    -12.24646783
  O     11.85154607      7.43875315    -13.92993190
  H     14.15613853     10.05478111    -13.20757974
  H     19.50089852      9.29413544    -13.11780978
  O     19.00083487      8.02648255     -9.78230148
  H     14.26036733     10.89114905    -14.54935280
  H     16.33814266      7.84499852    -18.11677510
  O     13.84629751      5.39958488    -13.62569589
  H     18.74343807      6.78942628    -16.29691599
  H     17.01433299      7.94316349    -19.50339510
  O     18.07537731     12.87081424    -13.64995205
  H     18.48699998      7.87686526    -17.37190035
  H     14.17389089      8.03878466    -11.92891679
  O     19.05243533      9.21531877    -12.26701576
  H     16.36841591      7.17290090     -8.21162889
  H     12.83914232      8.35215934    -12.63368521
  O     17.02743921      8.30910987    -18.62238882
  H     17.33818883      7.65554462     -9.31544631
  H     14.64424236     11.05934483    -16.83814476
  O     13.54190133      8.75137584    -12.10569494
  H     19.85670768      8.61769791    -15.50633757
  H     13.36575093     11.91897948    -16.72658043
  O     13.80275027     11.15627572    -16.35704139
  H     21.15381726      9.33302888    -15.06172373
  H     15.62498173      7.74430287    -16.20366707
  O     15.21403407      7.20836646    -16.90170339
  H     17.13454151      5.04256920    -15.55344844
  H     15.22365612      6.29053884    -16.60281993
          69
 Energy    -248.48408702589745     
  O     11.68061637     10.02310046    -11.17489409
  H     11.26602668      9.26423082    -11.60439274
  H     14.65234343      5.13417782    -17.72206980
  O     14.00716160      7.07463136    -14.82916316
  H     12.01483401     10.58087462    -11.88745978
  H     17.67580885      6.33653692    -15.30942394
  O     17.82780030     11.17244202    -11.51050448
  H     14.28219864      6.57086883    -15.60268807
  H     16.75431686      6.04397789    -16.51431417
  O     17.33532091      8.86010773    -17.47869024
  H     14.71000468      7.71200972    -14.62284713
  H     14.78911918     12.95257284    -15.95224171
  O     11.93574582      8.86777637    -14.81058394
  H     18.13195435     10.49589241    -10.89191053
  H     15.56461734     11.65738881    -15.62420316
  O     16.39356873      7.49216784     -9.73714658
  H     16.87814349     11.02339188    -11.61560382
  H     16.34256343      9.42673048    -14.64794219
  O     13.46119620      6.42058050    -12.21325377
  H     17.57869270      8.01281009    -17.07636895
  H     15.69869904      9.31312049    -13.24269569
  O     15.17789107     10.39771653    -11.91099305
  H     16.50876168      8.70183728    -17.94600301
  H     19.37924148      8.43955521    -11.65101849
  O     14.71511203      8.25236142    -18.58309821
  H     12.65768075      8.22593691    -14.90413152
  H     19.55790107      9.02758951    -13.06337455
  O     15.99999576      5.33490600    -11.59814317
  H     11.35882917      8.49451299    -14.13539754
  H     10.19387024      6.98496521    -12.22889227
  O     17.09690073     10.78709803    -15.61103379
  H     16.31491771      6.70390467    -10.28674750
  H     11.73141192      7.07152332    -12.31989048
  O     14.91205447      5.87464824    -17.17953224
  H     15.51864740      7.90152865     -9.74199424
  H     18.72713533     11.03327504    -12.97534158
  O     17.62814097      6.37127589    -16.27287032
  H     14.23241948      5.92368388    -11.91290706
  H     19.98979821     11.40215386    -13.79304054
  O     14.67656759     12.05313810    -15.65434397
  H     13.62524123      6.59951506    -13.15189413
  H     18.36393927      7.05465665    -13.12360157
  O     15.92621052      8.80921318    -14.03518674
  H     14.43574805     10.75250905    -12.41919238
  H     16.95644646      7.40060852    -13.63922039
  O     19.61105007      8.20706383    -12.55979861
  H     14.80306362      9.77834674    -11.27128711
  H     19.12017436      8.92559057     -9.12218267
  O     10.91002323      7.56215208    -12.48355544
  H     14.54984910      8.48046812    -19.49429178
  H     17.85561706      8.42937959     -9.85709317
  O     19.21919212     10.83990876    -13.79487063
  H     14.19186949      8.87032623    -18.04145058
  H     13.75105212     10.71907659    -16.64022285
  O     17.53559146      6.65387040    -13.42651565
  H     16.32547940      4.44921135    -11.45871703
  H     12.66758954      9.64834569    -16.39343375
  O     18.67018156      8.95177170     -9.96243077
  H     16.57285005      5.74020264    -12.27299135
  H     13.71835899      7.80023252    -10.96154878
  O     13.30245291      9.96740202    -17.04635178
  H     17.27368744     10.16961351    -16.33988935
  H     13.07422654      9.09542124    -10.42074930
  O     13.85133131      8.52422912    -10.33490465
  H     17.88652497     10.84793064    -15.05830474
  H     13.54854588     11.57691739    -14.20287781
  O     13.03385364     11.12388524    -13.52322033
  H     14.83805527      6.66964269    -17.73338779
  H     12.64224765     10.35519829    -13.96165316
          69
 Energy    -248.48403084509505     
  O      9.75477086     12.14285983    -10.41449745
  H     10.01592733     11.86385849    -11.30850160
  H     13.58752936     12.23276899    -13.52232842
  O     13.01128698      9.30258304    -16.36705251
  H      8.83398688     12.38767204    -10.46126008
  H     16.39568461      8.88704881     -9.61196409
  O     11.07569971      7.53778090    -10.54137265
  H     12.83968459     10.25112508    -16.41109198
  H     16.56496875      8.38436849    -11.06619282
  O     13.99314977      8.47453991    -13.95938733
  H     12.14468408      8.88676556    -16.26716061
  H     15.17361802      7.59022714    -12.98490386
  O     12.26676604     12.09041250    -16.28983549
  H     10.90249772      8.29354018     -9.96381731
  H     16.17417847      6.43212915    -12.76723712
  O     11.38447960      8.67087965    -13.00325549
  H     12.00171191      7.30551569    -10.38446360
  H     14.30672051     14.39898344    -11.45194078
  O     15.33069049      8.31895990     -8.09190208
  H     13.12808147      8.48035392    -13.52360743
  H     13.66949860     15.75685538    -11.82732260
  O     13.47795297     10.20691360    -10.66508258
  H     13.81821493      8.69971771    -14.88518965
  H     14.35704675      7.55914945     -9.45201224
  O     13.33363571      9.97841197     -7.29611031
  H     12.46736424     12.77019853    -16.92865735
  H     14.50049493      7.14872570    -10.94584458
  O     15.61674768     13.55188329    -10.68101707
  H     12.50176596     12.44992736    -15.41838833
  H     18.07813494     11.47313744    -12.02833502
  O     11.13829521      9.99774971     -9.15759362
  H     11.20451968      8.21125256    -12.17043066
  H     17.09451367     10.58234824    -11.23362312
  O     12.88832810     12.87595903    -13.72098496
  H     11.17717543      9.60517033    -12.87256193
  H     10.18008876     11.29708965    -13.72960062
  O     16.85594944      9.06017067    -10.44157961
  H     14.62991885      8.91038646     -7.76378585
  H     11.43280334     11.94567085    -13.09014429
  O     15.75880335      7.17150096    -12.33054654
  H     15.73243428      7.92311779     -7.32305843
  H     13.30095270     12.80454319     -8.92276912
  O     13.51341286     14.81607838    -11.83562592
  H     13.66141166      9.26187527    -10.59311919
  H     13.94033601     11.48896524     -9.42195637
  O     13.86165973      7.39429470    -10.26608203
  H     13.86873333     10.51585439    -11.48991969
  H     14.61244394     10.11384673    -13.45021477
  O     17.16045772     11.38164336    -11.78634879
  H     13.64092023     10.85555806     -7.56640567
  H     15.62044512     11.10075469    -12.74157239
  O     10.65924198     11.40082705    -12.89372812
  H     12.46522974      9.88490667     -7.70662304
  H     10.51011807     11.41912527    -15.86966801
  O     14.06049604     12.21531995     -8.79168480
  H     16.21290929     12.88826765    -11.04326013
  H      9.84082020     10.05991082    -15.60260523
  O     14.71737277     10.99401375    -13.06594360
  H     15.20258923     13.14327233     -9.90699710
  H     11.17315232     13.30532447     -9.87561520
  O      9.74293767     11.00841459    -15.45013850
  H     11.91614950     10.11469138     -9.72540728
  H     12.33404582     14.18744120    -10.40053908
  O     11.95654527     13.79805644     -9.60320256
  H     10.53718624     10.70742826     -9.40951328
  H      9.98653154      7.43453174    -15.65802305
  O     10.47234305      8.24925230    -15.56049581
  H     13.04201794     13.63693828    -13.14763744
  H     10.74643463      8.30195592    -14.62845247
          69
 Energy    -248.48395425805700     
  O     13.62010384     11.76538990     -8.39564720
  H     13.62803878     11.81322830     -7.44377501
  H     12.63213742     13.57516909    -11.34892096
  O     11.30714285     11.20971059    -15.26190803
  H     14.37102160     12.30056705     -8.71215289
  H     12.43077315     14.14066264    -15.68233232
  O     14.02951246      9.44239380    -10.01764091
  H     11.33555442     12.10817512    -14.89551006
  H     13.21799376     13.23492315    -16.65245929
  O     18.76576900     12.77846044    -13.17622418
  H     11.91229086     11.19538352    -16.01333554
  H     15.54062469     12.09302758    -12.48587146
  O     11.72262383     12.31313547    -10.40182722
  H     13.17116117      9.36778764    -10.45201531
  H     14.21721479     12.90765808    -12.65725139
  O     11.66340465      9.75008358    -11.55972524
  H     13.94324654     10.18090790     -9.40240801
  H     16.92703811     13.06540034    -15.54677891
  O     13.32423191     10.09477437    -13.69468515
  H     18.39578450     12.57473002    -14.05399470
  H     17.06987688     11.56714823    -15.84943382
  O     15.23189645     15.57641307    -10.86265388
  H     19.70927496     12.85636974    -13.28808468
  H     13.42780781     11.23988217    -18.07382950
  O      9.50953291     10.16568217    -13.39980638
  H     11.69201048     11.43762485    -10.81350763
  H     14.27321355     10.95449278    -16.81882415
  O     15.54307437     14.13476162    -15.02020562
  H     12.26560840     12.20526718     -9.61082570
  H     15.53808391      9.09810559    -10.82884744
  O     11.36631126     13.74191655    -14.13206128
  H     10.81394543      9.72177631    -12.01310149
  H     16.83081842      8.25359215    -10.79820718
  O     13.10607869     14.11829881    -11.99593269
  H     12.32260291      9.81059342    -12.26999000
  H     16.05510727      8.76865466    -13.16772097
  O     13.12837132     14.14645005    -16.35076142
  H     13.88138123     10.86344159    -13.48961729
  H     14.76922330      9.07271717    -13.94249958
  O     14.80894716     12.27461978    -13.08903326
  H     12.62612385     10.40550621    -14.28234694
  H     16.34741422      9.56359667    -17.01475758
  O     17.57030959     12.34130838    -15.57124755
  H     15.29447036     16.49078247    -10.60018483
  H     15.87355174      9.63905868    -15.54983082
  O     13.43807581     11.34018075    -17.12371983
  H     15.89482766     15.44047222    -11.56381388
  H     17.66807492     11.97443183    -11.94995918
  O     16.39463116      8.95721052    -11.27194440
  H      8.77239729      9.70136345    -13.78904109
  H     16.89686766     10.73502087    -11.36012245
  O     15.68557278      8.77575682    -14.05683181
  H     10.07022728     10.46109799    -14.13586666
  H     10.13456168     12.75676757    -11.50203880
  O     15.90050861     10.13072323    -16.39013752
  H     15.29710906     13.43874446    -14.39097519
  H      9.37229876     11.92529907    -12.55010768
  O     16.93779507     11.69978334    -11.37979661
  H     14.75279083     14.31184767    -15.54568249
  H     17.68450086     14.42296124    -12.86039432
  O      9.53801086     12.82950681    -12.25759692
  H     10.58482787     13.56249486    -13.58941809
  H     16.49471242     14.95302240    -13.67350823
  O     16.99846189     15.09825478    -12.85917263
  H     12.04916335     13.98918349    -13.49291121
  H     15.54745894     14.05355904     -9.79863263
  O     15.66534939     13.18490950     -9.39711232
  H     13.72594021     14.69587501    -11.53509287
  H     16.18697083     12.66636912    -10.02556327
          69
 Energy    -248.48362793879210     
  O     16.80447682      7.89881256    -14.49309071
  H     16.50434763      7.75865389    -15.40126413
  H     13.47137676     13.01224316    -13.48975935
  O     16.84846481     11.09528769     -9.58073013
  H     16.30058506      8.64682744    -14.12865707
  H     15.83073087     10.84546643    -13.76308729
  O     16.51131211     12.51053186    -14.04339516
  H     17.32716733     11.42807426    -10.36175066
  H     15.18880332     10.09557070    -12.56602255
  O     13.28365223      7.24137165    -15.91975710
  H     17.03739064     11.69298739     -8.86290450
  H     12.92127388      7.57638547    -11.69273906
  O     15.48618475      5.90450471    -12.91563516
  H     16.91663081     12.48633879    -14.91968461
  H     12.37726934      6.73443245    -12.86125815
  O     14.48886234     10.34933175    -10.89745880
  H     15.67465341     12.99019623    -14.10740414
  H     17.98797393      7.72232595    -13.06952972
  O     17.78955354     12.03607226    -16.48876397
  H     13.05029600      8.07436054    -15.49157886
  H     18.46339150      6.75480949    -11.96383286
  O     17.73580679      5.18502317    -11.40369724
  H     14.10314053      7.40151083    -16.40204618
  H     12.47480556      4.59243799    -14.34834279
  O     15.58408253     10.43166288    -17.32506144
  H     15.88218932      6.52269774    -13.54212830
  H     13.07056773      5.95409916    -14.78874326
  O     15.81970049      7.78998300    -17.07692242
  H     14.66300643      5.58575199    -13.30818284
  H     17.60717265     12.18432362    -12.57763193
  O     18.84287097      9.85834510    -15.28013953
  H     14.42390775      9.39217930    -10.77232380
  H     18.79590940     11.28648868    -12.14201890
  O     13.92851235     13.56825120    -14.14638916
  H     15.23062235     10.66076569    -10.36305274
  H     19.57118954      9.08729009    -12.47063244
  O     15.44874628     10.00068516    -13.49198257
  H     18.23902529     11.26230723    -16.10191368
  H     20.91528974      9.85097655    -12.42045875
  O     12.26718062      7.57635817    -12.40249123
  H     18.42687073     12.48337677    -17.03865968
  H     17.63397547      8.15063847    -10.65071405
  O     18.55006034      7.66357089    -12.28558613
  H     16.91086939      5.27526212    -11.90602359
  H     17.12001317      9.21702941     -9.65940410
  O     13.00380875      5.32533631    -14.04646867
  H     17.47771027      5.15400205    -10.48329692
  H     12.95801188     10.88556944    -15.60685590
  O     18.11934268     11.88973927    -11.81315443
  H     14.77956203     10.85825858    -16.99540713
  H     13.51248264     12.32086952    -15.57666684
  O     20.00649149      9.92666410    -12.70035129
  H     16.31168813     11.03550521    -17.14322225
  H     15.45956048      7.74918053    -10.31942114
  O     17.11575044      8.26967094     -9.84544611
  H     16.13088845      7.41707181    -17.89686825
  H     14.88127766      6.98643931    -11.52033401
  O     13.35545680     11.56950998    -16.16013497
  H     15.73125014      8.75222472    -17.21640133
  H     12.43596981     11.09528831    -13.04944922
  O     14.63124116      7.56650393    -10.78905097
  H     19.34515878      9.94207335    -14.45970211
  H     13.24792947     11.40846631    -11.79011102
  O     12.70243949     11.82114754    -12.47434322
  H     18.21438804      9.14437223    -15.13100226
  H     13.73149117      9.70385134    -14.06566974
  O     12.79841085      9.52364312    -14.25810965
  H     13.51935127     14.42866482    -14.11054489
  H     12.49900761      8.87584027    -13.60077104
          69
 Energy    -248.48342148156178     
  O     14.22528316      9.52514643    -10.85777314
  H     14.22203119     10.18004191    -11.56915650
  H     16.31339107      2.69445765    -11.09756582
  O     14.82464251     11.32566424    -16.69367801
  H     13.45569549      8.94502766    -10.96127117
  H     11.96105121      7.69844098    -12.23711825
  O     17.39957890     10.70248221    -12.87327535
  H     14.32559059     10.62149188    -16.26153930
  H     12.74759425      6.80058390    -11.26432664
  O     12.92042099      5.19670588    -14.13543739
  H     14.71931684     12.10238845    -16.12999796
  H     18.74928487      7.34784586    -14.25045352
  O     17.51834147     12.82944214    -14.71175273
  H     17.80238493     10.49402757    -12.02383812
  H     18.82991765      6.81481435    -12.81203657
  O     15.70541440      7.55093706    -12.22598904
  H     17.66546250     10.02824311    -13.51581010
  H     15.83630477     13.31944945    -14.70880740
  O     14.67029661     11.15004968    -13.04580291
  H     13.24560027      5.16539277    -13.22485006
  H     14.67750440     14.34690650    -14.71537058
  O     18.27459995      7.38645310    -11.14808657
  H     12.40924627      6.01133625    -14.20465870
  H     14.32877273      8.70901461    -15.05883668
  O     18.38264082     10.06214645    -10.28262053
  H     17.67300589     12.31369329    -15.51327937
  H     13.94404151      9.99080831    -14.26897838
  O     17.08364915      4.42787963    -13.56471764
  H     17.60430422     12.19926316    -13.98293845
  H     17.79961310     11.09058109    -17.82842807
  O     15.13854094      4.84835614    -15.62940373
  H     16.60670602      7.48331673    -11.88471778
  H     16.55576028     11.07240574    -16.90931172
  O     16.20724614      3.63966367    -11.15668090
  H     15.25752623      8.26225388    -11.75189500
  H     10.77718736      7.99445787    -14.51465242
  O     12.29567853      7.65179279    -11.33293368
  H     15.62040477     10.96861318    -12.97100532
  H     12.27498206      8.36828433    -14.45787652
  O     18.88015437      6.54157242    -13.73917998
  H     14.59078595     11.99257628    -13.50835884
  H     14.62777442      4.68436595    -11.34819948
  O     14.86597388     13.41278649    -14.71654723
  H     18.00367511      6.78123722    -10.44200198
  H     14.64628982      6.14485501    -11.81984052
  O     13.64309645      9.38868864    -14.96397462
  H     18.42391302      8.25786294    -10.76429024
  H     16.86595675      4.86975430     -9.95089268
  O     17.52701531     11.00258853    -16.91897744
  H     17.57945749     10.07558876     -9.73272793
  H     16.42332159      5.81658291     -8.82758947
  O     11.60860801      7.74912061    -14.11629077
  H     19.05788431     10.53616745     -9.80430372
  H     15.66132039      7.45712536    -13.99577686
  O     14.04905247      5.42059062    -11.57475541
  H     17.75216328      5.11756310    -13.68809798
  H     15.51455069      6.61869311    -15.30292930
  O     17.16977693      5.59156912     -9.37970366
  H     16.47299376      4.49501597    -14.30633302
  H     15.34816530      9.83762634     -9.54240917
  O     15.62616761      7.51439967    -14.96454103
  H     14.29761113      4.90671093    -15.13971708
  H     15.61344391     10.24130395     -8.08119896
  O     16.05266480     10.00534398     -8.89375259
  H     14.97185850      4.32678830    -16.40921597
  H     17.14701341      8.44711294    -15.06875201
  O     17.95454297      8.97708731    -14.98288207
  H     16.55815327      3.90673039    -12.02762721
  H     17.93489627      9.61879596    -15.70301429
          69
 Energy    -248.48331666779671     
  O     16.81912895     13.41767391     -9.83002686
  H     17.76087371     13.21090988     -9.77263957
  H     13.26124073     12.91217241    -12.02833263
  O     13.35730817     12.90895754    -16.30612040
  H     16.36131736     12.80813344     -9.23779946
  H     13.43394965     14.45079850    -15.48700241
  O     16.92025845      9.12274599    -11.38514136
  H     14.22949247     12.76270336    -16.69142059
  H     13.20636287     15.98179368    -15.44858755
  O     18.26690326     15.34007939    -13.12504630
  H     13.20816836     12.15843057    -15.71439832
  H     14.29036247     15.06552655    -11.85680615
  O     13.41129101     10.75862736    -14.50971710
  H     17.34911919      9.62891796    -12.08892479
  H     13.42133006     14.95176140    -13.12657817
  O     16.03191140      6.70417722    -12.47664170
  H     16.71437946      8.24750703    -11.73577340
  H     19.68266363     12.70568926    -11.63077879
  O     15.17505216      7.57084757    -14.89563126
  H     17.60771549     15.01380519    -13.75917330
  H     19.25877914     13.68334349    -12.74222755
  O     16.04035855     12.54453868    -12.38335826
  H     18.70246860     16.08025325    -13.54237686
  H     15.06866893     11.39386245     -7.47658019
  O     14.47049497     10.03800555    -10.35318304
  H     14.33807593     10.57201876    -14.71593888
  H     15.11383085     10.88566729     -8.93590379
  O     16.06213441     10.20971062    -15.30259290
  H     12.97189148      9.90337960    -14.41846073
  H     12.75119717      7.99407405    -13.17973922
  O     16.17727062     12.57896623    -16.82434054
  H     16.39613731      5.82494024    -12.52935165
  H     11.65014236      7.70153707    -14.22793285
  O     13.37105703     11.94813897    -12.00230877
  H     15.78603844      6.96421994    -13.38283313
  H     17.77615993      9.72143105     -9.85822923
  O     13.65322281     15.26727659    -15.00322376
  H     15.53682269      8.42801381    -15.15856586
  H     17.31196222     10.53367570     -8.63773294
  O     13.48217645     14.66537742    -12.20845451
  H     14.22532594      7.70172362    -14.78527301
  H     17.17135623     11.39856530    -13.00126999
  O     19.66181915     12.82077653    -12.58966914
  H     15.10609323     12.33186374    -12.26810239
  H     18.68183873     11.37419902    -13.20952364
  O     15.60779537     11.38484631     -8.26298264
  H     16.35407429     12.89928702    -11.54162424
  H     16.21639520     15.01763799    -10.59828967
  O     12.47337586      8.16399493    -14.09793749
  H     15.30402972      9.79169129    -10.78200354
  H     16.73637370     15.71247451    -11.85192907
  O     18.10102357     10.21501313     -9.09231064
  H     14.02431086     10.70156091    -10.90113448
  H     13.68312319      8.44948528    -11.06175021
  O     17.89066037     10.83399194    -13.33262189
  H     16.78321234     10.34491292    -14.67076658
  H     14.31218502      7.24138472    -11.78431231
  O     15.96854622     15.66507541    -11.27301355
  H     16.13847604     10.91498312    -15.95624570
  H     20.18775136     12.60038283     -9.14648760
  O     13.47319605      7.68943142    -11.61877457
  H     16.29342037     13.16814282    -16.05976637
  H     19.07205698     11.59884530     -9.52617908
  O     19.47222298     12.45562525     -9.76008812
  H     16.78669697     12.87354928    -17.49636076
  H     16.11459616     13.64169063    -13.80992411
  O     16.21857463     14.20991376    -14.58949768
  H     13.24913272     11.59285036    -12.89385446
  H     15.38925980     14.69321505    -14.70143135
          69
 Energy    -248.48247214967466     
  O     -1.76075871      8.75150190    -10.60282886
  H     -1.43804777      9.43787256    -10.00275941
  H     -4.90546409      3.49464653    -10.21975147
  O     -7.43264873      6.98627188    -10.05883553
  H     -1.77151206      9.10817288    -11.50126992
  H     -6.16936682      4.66710130     -7.70872613
  O     -4.43831456      9.56765767    -10.45708473
  H     -6.63877331      6.78161348    -10.57680760
  H     -4.67466094      4.30166535     -7.77200886
  O     -7.08026163      9.45412338    -14.15095937
  H     -7.68538616      6.16295101     -9.62511641
  H     -7.06498169     11.95041328     -9.75116292
  O     -3.42951279     12.14200396     -9.86624509
  H     -4.72178916      9.35774689    -11.35543533
  H     -7.21909348     10.44031403     -9.65089507
  O     -2.18841100      9.80095006    -13.21421763
  H     -3.53850395      9.22563871    -10.37989996
  H     -3.08491346      4.64609593     -9.32970381
  O     -5.89867991     12.89526158     -8.70560116
  H     -7.65635319      9.38602464    -14.90687140
  H     -2.55798144      3.24048106     -8.96533775
  O     -7.64307665      4.40968579     -8.93304678
  H     -7.61757883      9.24411674    -13.36489616
  H     -0.49113215     11.04044869     -8.19998497
  O     -6.33324900      9.03127499     -8.61864108
  H     -3.89494928     11.32931081    -10.11620376
  H     -1.87626303     10.38425879     -7.97854442
  O     -8.39178379      9.03021138    -11.82202179
  H     -2.62402833     11.84880031     -9.42606721
  H     -6.27979446     10.82170071     -5.85823313
  O     -3.08084361      9.78786086     -6.89800257
  H     -2.58419707     10.67809363    -13.05141012
  H     -6.04775218     10.22154839     -7.26121372
  O     -5.71978832      3.66938024    -10.70771948
  H     -1.58913729      9.90084517    -13.94869622
  H     -4.35524653     12.06010123    -12.78128008
  O     -5.32491873      4.79982415     -7.26126915
  H     -5.83435498     12.38596472     -7.88928268
  H     -3.26299763     12.37310866    -11.74987270
  O     -7.47307780     11.19242407    -10.19712438
  H     -5.01949400     12.84332323     -9.10408564
  H     -5.43422922      8.85009228    -13.57485466
  O     -3.35801355      3.74382915     -9.09358772
  H     -7.02272259      4.05746257     -9.59717691
  H     -3.88024715      8.91295137    -13.31090887
  O     -1.26227444     10.71845228     -8.65877034
  H     -8.33981346      3.76589674     -8.83716152
  H     -6.49574752     11.07266326    -13.30398119
  O     -5.72036092     10.88222790     -6.62972099
  H     -6.83385360      8.30230217     -9.01227921
  H     -6.57984463     11.59691946    -11.85878265
  O     -3.39385627     12.13085440    -12.67464645
  H     -5.62505944      9.25979511     -9.24677113
  H     -3.37181179      6.77273759     -8.86167273
  O     -4.70537677      8.48234386    -13.05850349
  H     -8.20722322      8.28494865    -11.23748481
  H     -2.37640646      7.12103307    -10.00757154
  O     -6.11385087     11.71477810    -12.69527908
  H     -8.27258523      9.83273644    -11.29764391
  H     -5.08462119      7.86652068     -7.77584559
  O     -2.93602333      6.41906885     -9.65172809
  H     -3.36935436      8.86755906     -6.95552957
  H     -4.70167406      6.46379088     -7.23319837
  O     -4.34682089      7.34072250     -7.44534888
  H     -3.87956137     10.29684501     -6.71521194
  H     -4.36494612      6.34820294    -10.84522227
  O     -5.12291673      6.30677912    -11.44314124
  H     -5.56104107      4.50591605    -11.16775049
  H     -4.97890394      6.98202353    -12.11998372
          69
 Energy    -248.48242574059097     
  O     14.29170404      9.63742901    -10.51386502
  H     13.91872716     10.16560559    -11.23093235
  H     18.48396442      5.17441030    -10.94484071
  O     14.09607851     10.16024792    -16.34759066
  H     13.63257324      8.97486130    -10.25203275
  H     12.31540052      7.16889183    -10.75932880
  O     16.25912006     11.14350681    -13.44271540
  H     13.43245800      9.68287938    -15.83802194
  H     13.14883230      6.93748085     -9.45958072
  O     13.54256297      4.65380550    -12.99010279
  H     14.09645536     11.06074060    -15.99828499
  H     18.10560549      8.38147186    -15.20029081
  O     16.72298054      7.42262364     -8.40381961
  H     16.87191272     11.13331743    -12.69345318
  H     19.56504460      7.93832762    -15.43119557
  O     15.81732840      7.67894504    -11.88338068
  H     15.39408064     10.87585649    -13.10589486
  H     15.23087114     12.28834896    -14.46316266
  O     13.49040890     10.85892123    -12.83690703
  H     14.15791781      4.67739582    -12.24313483
  H     14.58950298     13.55843283    -15.06363772
  O     18.50453441      8.19152661    -12.06137470
  H     14.09177504      4.56228691    -13.77630904
  H     12.13707957      8.02876140    -13.64775787
  O     17.90920225     10.82322635    -11.29222331
  H     16.68902910      8.37856045     -8.52882846
  H     13.47909905      8.16480017    -14.36653260
  O     17.86114057      5.12204915    -14.28742037
  H     17.52753053      7.11887357     -8.84120679
  H     10.83048829      6.15294466    -12.48440210
  O     15.37746685      4.72425527    -15.20044329
  H     15.48034591      7.57044216    -12.78421071
  H     12.33335564      5.86899895    -12.69695494
  O     18.04998067      4.59377519    -11.57880226
  H     15.28125704      8.33980552    -11.42941585
  H     14.31610393      5.54829198     -7.58871818
  O     12.63556815      7.58975356     -9.95228610
  H     13.12194560     10.09690357    -13.31088168
  H     15.25666138      6.48573085     -8.38231590
  O     18.81775613      7.82330419    -14.84840683
  H     13.49714737     11.59732324    -13.45395264
  H     15.55989224      5.99751102    -11.24929324
  O     14.43322794     12.63196788    -14.89956706
  H     17.55611231      7.99329182    -11.98752637
  H     15.02905542      5.19652456    -10.04377096
  O     12.64256827      8.63036064    -14.20731844
  H     18.74114855      8.07266403    -12.98768035
  H     18.98389789      7.24861104    -10.63873455
  O     11.69041500      6.56641250    -12.47509915
  H     17.48531504     10.69992870    -10.43447500
  H     19.98029145      6.77546700     -9.55551843
  O     14.44729163      5.94589124     -8.44508196
  H     18.26546790      9.95697037    -11.53300696
  H     15.15126024      6.49117503    -14.84182882
  O     15.36707963      5.09825435    -10.94148491
  H     18.23963293      5.98961535    -14.45850805
  H     15.65493243      7.97885090    -14.95575845
  O     19.07910428      6.68137045     -9.85450091
  H     18.01050784      4.91981372    -13.35122417
  H     16.16830954     10.83462696     -8.24612556
  O     15.04238034      7.38771841    -14.50117509
  H     16.29596542      4.77722443    -14.87554628
  H     15.60685361     10.06077599     -9.46242352
  O     16.40869465     10.21536796     -8.93101215
  H     15.39216575      4.18321848    -15.98454732
  H     15.85175078      9.62075465    -16.05692635
  O     16.65136598      9.39550435    -15.55932113
  H     17.11757174      4.58965410    -11.32131068
  H     16.65309231      9.99858868    -14.80013003
          69
 Energy    -248.48240634325089     
  O     10.05758685     10.04506504    -11.46834529
  H      9.21012037     10.00979039    -11.03375394
  H     12.41668203     11.87185651    -10.52946235
  O     14.83103178     10.43472468    -12.70662772
  H     10.68685879     10.43938953    -10.83714705
  H     10.60860575     10.97796380    -18.36342865
  O     17.02667995     13.40973659    -13.64555572
  H     14.58243604      9.63592404    -12.22246296
  H     11.70162307     11.84944301    -17.70194210
  O     15.90302727      7.35516147    -13.31349646
  H     15.71243698     10.70822850    -12.41919360
  H     13.56754526     14.47924030    -14.71110788
  O     11.21765994     11.67965003    -13.41861109
  H     16.14657686     13.77805736    -13.78397245
  H     14.46404630     13.24502015    -14.88901984
  O     12.15323898     15.07706678    -15.81478270
  H     17.35561264     13.16175594    -14.51892063
  H     17.79847180     11.40686905    -16.01092571
  O     14.97133020     12.07280703    -16.22944173
  H     15.51353429      7.74964783    -14.10026407
  H     18.41882987     12.54735183    -16.85852286
  O     14.14903535      9.61863660     -9.15135713
  H     16.73371712      7.82610931    -13.16566713
  H     17.91088459      9.43998891    -14.73516466
  O     13.45950301     12.65273231    -11.94210716
  H     10.70123402     11.16073485    -12.78832865
  H     16.64544184      9.49560437    -15.61531313
  O     14.76639168      9.40888471    -15.22230152
  H     11.94085603     12.08451932    -12.92652688
  H     14.91185996     12.48615874    -10.38224503
  O     18.24017582      8.98700023    -12.93662555
  H     11.76662051     15.94030905    -15.93483310
  H     15.13778458     11.20927958     -9.55357040
  O     11.96250375     11.23304116     -9.96582124
  H     11.41430398     14.45397208    -15.69316635
  H     11.64529778     10.08351911    -16.12718322
  O     11.00892043     11.18797070    -17.52395357
  H     15.91778365     12.23475517    -16.33538185
  H     11.82196797     10.42689689    -14.64072922
  O     14.23929820     13.94973511    -14.26414646
  H     14.86978328     11.15190508    -15.96353496
  H     12.69070751     13.88387733    -17.27103629
  O     17.75290893     12.36137578    -16.20256891
  H     14.26979041      9.09868587     -8.36070742
  H     13.70072491     12.73105451    -17.35693564
  O     17.58035572      9.73535978    -15.59278246
  H     14.13153426      8.99477862     -9.89730755
  H     11.07911063      8.72651200    -12.39085887
  O     15.57801981     12.00434484     -9.88183125
  H     13.70588683     13.28044161    -12.63542599
  H     11.76891626      8.54122491    -13.75891613
  O     12.01660627      9.74717615    -15.30231615
  H     13.90392010     11.82241330    -12.18305785
  H     16.89405270     11.59518461    -11.06497481
  O     12.91992350     13.10438559    -17.79039079
  H     14.85089053      9.80014915    -14.33643159
  H     17.32014824     12.10965882    -12.47772144
  O     11.74189840      8.20139735    -12.85714671
  H     13.81464085      9.36670251    -15.38905275
  H     10.31545767     12.51065137    -16.25790728
  O     17.33677488     11.33985911    -11.88707762
  H     17.99998636      9.82476781    -12.50488303
  H     10.47820239     12.68996116    -14.74203247
  O     10.23928160     13.16310426    -15.55194774
  H     19.07440279      8.71421780    -12.56284401
  H     14.72116084      7.65294973    -11.96676068
  O     14.05944624      8.09006138    -11.41168026
  H     12.65308488     10.68078590     -9.57837652
  H     13.20963486      8.03949424    -11.87750400
          69
 Energy    -248.48228393026665     
  O     -2.12301245     -6.46024862     -4.01493610
  H     -1.55016535     -6.34724582     -4.78363064
  H      3.88803977      1.16756233      0.20008214
  O     -4.09706262     -4.60729003     -4.30742028
  H     -1.54352771     -6.42420032     -3.24278678
  H      2.40167122     -4.10122160     -1.44418723
  O     -0.48295843     -5.61419101     -6.22839960
  H     -3.43786420     -5.30843399     -4.15613791
  H      1.88103636     -3.62033576     -2.81645119
  O     -3.10367711     -0.39463404     -0.77902740
  H     -4.94013550     -5.04088798     -4.40950533
  H     -1.66615798      2.41581208     -2.30021059
  O     -0.33277185     -5.85463121     -1.91504069
  H     -1.13501385     -4.90845145     -6.38892087
  H     -0.77927908      1.14934129     -2.33479754
  O     -0.19146772     -0.52947732      1.48716140
  H     -0.23329093     -5.95978785     -7.08071888
  H      1.00172900     -2.31334057     -1.16414849
  O      2.87635905     -0.60808266     -2.62223646
  H     -3.20869803     -1.03330999     -1.49520042
  H      0.13428367     -1.13475123     -1.64996704
  O      0.65667625     -4.30493805     -4.01131877
  H     -2.56156030      0.32915299     -1.11560602
  H     -2.20477533     -2.81254421      2.08520898
  O      1.14353481     -4.04603274      1.60474744
  H      0.47783420     -5.95154167     -1.39985572
  H     -2.17186286     -4.16218940      2.83623848
  O     -0.99492156     -2.06721723     -4.37176107
  H     -0.86767936     -5.19258524     -1.45157183
  H     -3.03583878     -0.91243842      0.85928185
  O      2.36703572     -1.56333501      1.77985940
  H     -0.05204188     -0.99043021      0.64354327
  H     -3.57912108     -0.66553084      2.28606775
  O      3.20632276      0.55341190     -0.06188519
  H     -1.11684789     -0.65217055      1.71756237
  H      0.05757265      1.87429870     -0.46983727
  O      2.33583379     -3.32588036     -2.01382213
  H      3.07872854     -0.19856166     -1.77033576
  H      0.38662692      1.06292409      0.78525628
  O     -1.37949328      1.67351698     -1.77391121
  H      2.88850073     -1.56060105     -2.46356320
  H      1.70106523     -5.10101187      0.38286157
  O      0.19905251     -1.81266531     -0.96694361
  H      0.45411476     -4.76144574     -4.83681128
  H      2.68094428     -6.22684399     -0.02847796
  O     -1.76494135     -3.67706207      2.12213832
  H      0.29492100     -4.85723589     -3.30232361
  H      1.22176022     -0.11305222     -3.07524915
  O     -2.93715587     -1.17083580      1.79468154
  H      0.23547835     -3.85857812      1.85774063
  H     -0.12164880     -0.62740326     -3.71999770
  O      0.74609626      1.73596639      0.18922251
  H      1.64280367     -3.22053305      1.69957532
  H     -1.79222338     -3.89801681      0.28544682
  O      2.02027324     -5.63141114     -0.37119555
  H     -1.73877851     -2.17638747     -3.76182865
  H     -1.00177976     -3.08947148     -0.77358541
  O      0.26517357      0.03368453     -3.12931768
  H     -0.39449840     -2.81175291     -4.22323237
  H     -3.05090588     -3.89795002     -5.78325013
  O     -1.65931739     -3.79581265     -0.66355193
  H      1.50232423     -1.15059577      1.91844245
  H     -1.87320280     -2.91434232     -5.83410835
  O     -2.31883579     -3.60684431     -6.34093380
  H      2.81324971     -0.97953821      1.15690025
  H     -3.59791275     -3.20125034     -3.18084602
  O     -3.13555818     -2.55864014     -2.62830534
  H      2.36425937      1.03785045     -0.00423187
  H     -2.71126785     -3.06242169     -1.91681152
          69
 Energy    -248.48217822704004     
  O     14.25822654      8.83961843     -9.41855291
  H     14.95307073      8.64181695    -10.06277934
  H     11.53378949      7.52529051    -10.15807585
  O     17.77329347     12.23290329    -12.53660421
  H     14.43823408      9.73288287     -9.09985303
  H     14.95656448      5.23013224    -12.02005092
  O     11.53061612     11.72965074    -12.83499045
  H     17.69603348     11.72227597    -11.71234449
  H     13.91678337      6.16923705    -12.69145932
  O      9.93716282      9.34809864    -12.32576362
  H     18.64179220     12.62438595    -12.52372990
  H     10.70048107      5.29139135     -9.17625369
  O     15.46971258     11.40687479    -13.74339678
  H     10.97509536     10.94576023    -12.77982792
  H     11.37735162      5.31309808    -10.56852218
  O     14.93451329     11.49181346     -8.97735247
  H     11.96119789     11.70938990    -13.69897236
  H     14.49880436     11.74238299    -12.14762597
  O     16.38941024      8.19670026    -11.13684985
  H     10.52861218      9.07011588    -11.60572269
  H     13.01030767     11.86789659    -11.77649231
  O     13.54054114      5.31271888    -15.37378376
  H      9.10186564      9.57414684    -11.92388800
  H     14.03425200     11.74028684    -14.70109990
  O     17.37703940     10.71883797    -10.28760432
  H     16.30205672     11.77821000    -13.41702824
  H     13.22404244     12.66738857    -15.63433297
  O     13.17824432      7.83309710    -12.81480020
  H     15.57953507     10.44661299    -13.77642986
  H     15.40166362      5.59216355     -9.90880748
  O     10.88481009      5.28987843    -14.83289274
  H     14.77234812     12.24599101     -8.41891239
  H     16.71935669      4.81779430    -10.16346815
  O     11.73832239      8.41611800    -10.47460291
  H     14.53308061     11.68967677     -9.84636675
  H     12.55345277      4.66388290    -12.26794711
  O     14.25242768      5.25934975    -12.67661724
  H     16.44769874      7.24710713    -10.97810452
  H     11.20215251      4.79606982    -12.98390747
  O     11.34118471      5.76050151     -9.70373292
  H     16.24851673      8.32236339    -12.08551659
  H     14.24876769      8.19646026    -16.37402412
  O     13.90136171     11.87634397    -11.40285890
  H     14.05260828      6.03138376    -15.76268992
  H     15.44802228      7.62585397    -17.17050492
  O     13.19432725     11.82608170    -15.18515087
  H     13.92940501      5.14978679    -14.50302132
  H     12.97536839     10.15273312    -15.97398199
  O     16.10950273      5.43369829    -10.56020475
  H     17.16580824      9.80927559    -10.53550958
  H     12.14288549      8.86362405    -15.79379059
  O     11.59744216      4.60945723    -12.12551814
  H     16.63668892     11.02551540     -9.75041049
  H     10.48502687      8.45675300    -13.86900446
  O     15.00411933      7.58074343    -16.32800686
  H     12.50513216      7.90161131    -13.50387711
  H     10.80045881      7.13084464    -14.65437819
  O     12.88521841      9.24289542    -16.28329828
  H     12.74824458      8.06104102    -11.98291152
  H     13.16614751      5.87685192     -9.10389083
  O     11.01305127      8.07072251    -14.57982359
  H     11.82267166      5.26790716    -15.10053110
  H     14.13448052      7.05722998     -8.88541232
  O     14.08221124      6.09094234     -8.89385740
  H     10.41489906      4.72127614    -15.43706032
  H     14.71653495      8.44004987    -13.40902527
  O     15.59768259      8.62970332    -13.77030684
  H     12.55915065      8.69505873    -10.04424024
  H     15.60199761      8.24375384    -14.65364110
          69
 Energy    -248.48209376105677     
  O      0.07460357     13.26115483      1.38849574
  H      0.33262310     13.03850183      0.47640956
  H      0.74189296      8.85278513      4.55753380
  O      2.51335378     14.50812003     -1.93412551
  H      0.18550947     14.21428037      1.50165118
  H     -2.45127929     10.72867286      1.19551149
  O     -1.69240225     12.09482854     -2.47406815
  H      3.26523826     13.99688547     -2.26605612
  H     -3.08153596     10.33887773     -0.14849289
  O      4.08803861     11.10254033     -0.27871000
  H      1.87238644     13.85361859     -1.61902728
  H      2.69040549      8.09808390      1.46741243
  O      3.51514339     10.62200362      3.34380849
  H     -2.09330787     12.60956947     -1.76030188
  H      1.22648100      8.02694469      0.95060573
  O      4.45589386      8.92475538      1.45330251
  H     -1.92102287     11.17044379     -2.31118461
  H      1.55785392     11.85668018     -4.34974075
  O     -0.67407321     10.63343861      1.89918980
  H      4.35710146     10.32824992      0.23224603
  H      2.46643773     10.89081153     -5.14250335
  O      0.72241104     12.52672306     -1.12769184
  H      3.71886415     11.73303056      0.35568437
  H      0.71422983      9.32840499     -0.79460702
  O      0.15558867     12.91220536     -4.41447128
  H      3.37423272     11.46250924      2.88700827
  H     -0.18549384      9.57697839      0.47057411
  O      2.92711694     12.80240864      1.65693765
  H      2.64552654     10.30853790      3.62050124
  H     -2.63617174      8.65923088     -2.11139578
  O     -2.45156437     13.43713957     -0.13147197
  H      5.23740884      8.45430775      1.73165232
  H     -1.47520098      9.15686663     -1.21942449
  O      0.97066422      9.36403535      3.78559005
  H      4.19657599      9.50482838      2.19325761
  H      0.69421876     16.35581505     -3.88666109
  O     -3.20960286     10.90445636      0.62187543
  H     -0.19037479     10.25447694      2.64386926
  H      1.28384775     15.30721923     -2.91327632
  O      1.79480219      7.82817875      1.70476940
  H     -0.43285450     11.56777852      1.84388104
  H      2.21962013     15.74244021      0.95763146
  O      2.31122236     11.24534458     -4.27082733
  H     -0.09072167     12.44253426     -1.64211341
  H      2.98994189     15.19152505     -0.25104890
  O      0.00860226      8.95349422     -0.24551965
  H      1.21284424     11.70805782     -1.27128585
  H     -0.67037177     15.71842918     -1.84578031
  O     -2.27425692      9.43792163     -1.69622861
  H      0.24239759     13.84633551     -4.19032993
  H     -1.72958962     15.11256247     -0.87890009
  O      0.47485882     15.57492162     -3.38384820
  H     -0.60242043     12.59523099     -3.90494314
  H      2.78552419     10.38623498     -1.25653896
  O      3.06720965     15.36213397      0.69768061
  H      1.96598024     12.81251719      1.70926655
  H      2.09867740     10.38339785     -2.66263863
  O     -1.08177531     15.81988055     -0.97926469
  H      3.16778761     13.70632165      1.40278898
  H      4.43161430     12.08765007     -1.91844045
  O      1.98284539     10.13331235     -1.73644121
  H     -2.91599368     12.63080753      0.14279617
  H      3.75607126     12.12940220     -3.30994204
  O      4.33712586     12.62243969     -2.71729832
  H     -1.69446876     13.49094982      0.46266991
  H     -0.15282786     16.06197715      0.47593104
  O      0.33904846     16.03968279      1.31646078
  H      1.25520806      8.73126493      3.10050706
  H      0.00353288     16.75371356      1.85205296
          69
 Energy    -248.48203651203386     
  O     16.28757903     10.42068888    -15.19705022
  H     17.19940421     10.09895888    -15.26180964
  H     14.51246326      9.86569425    -11.96056044
  O     15.35356769      7.02602517     -9.52063032
  H     16.30515687     11.36578303    -15.00205895
  H     19.02306535      4.30509119    -15.53800626
  O     16.28502918     13.06867685    -14.25246659
  H     15.68136189      6.84261577    -10.41756579
  H     17.63806071      4.99513348    -15.51870564
  O     12.77205611      7.69954704    -10.54835125
  H     15.70156198      6.34298650     -8.95326982
  H     16.12559977      7.73878464    -12.28735427
  O     14.38148565      8.47223454    -15.70888244
  H     15.97219044     13.89424917    -14.61308681
  H     15.46113647      6.42668146    -12.75387339
  O     18.77370948      9.23652930    -15.10594046
  H     15.83126929     12.94388429    -13.39983346
  H     18.50606602      8.12523845    -16.58733549
  O     20.61846364     10.84664981    -13.74606504
  H     12.98265121      8.59424304    -10.84542834
  H     18.50155584      6.59167150    -16.66101676
  O     18.62906321      7.05524416    -13.32387088
  H     13.56128877      7.38112399    -10.09513985
  H     16.57854399      7.22821675    -17.62907431
  O     11.74515794      6.61879332    -12.81300803
  H     14.68671574      8.00541965    -16.49724391
  H     15.52394379      7.02029162    -18.74195036
  O     15.24076104     12.54372947    -11.79548745
  H     15.00455884      9.20082436    -15.57740343
  H     16.16615420      9.76890631    -13.52658087
  O     12.30387804      9.25323353    -13.88545980
  H     19.47999773      9.79950278    -14.76651554
  H     16.70191302      9.96100505    -12.07405094
  O     13.64320913     10.18221700    -11.66755861
  H     18.67241255      8.51116707    -14.47229374
  H     17.97466918     12.82816494    -13.39375086
  O     18.59293397      5.14329952    -15.39202638
  H     21.46845123     11.26386022    -13.85390475
  H     18.36789920     12.14500682    -12.06622337
  O     16.11639321      6.77836938    -12.13644123
  H     19.99487451     11.54053308    -13.46391846
  H     18.32683702     10.32554244    -10.93355952
  O     18.25652549      7.38425975    -17.15464924
  H     17.79250986      6.86202058    -12.87892829
  H     17.00195734     10.58741658    -10.12908555
  O     15.63664067      7.04284283    -17.79548920
  H     18.74655895      6.35671161    -13.98030928
  H     14.29191261      7.01124496    -14.59003400
  O     16.11750754      9.42687892    -12.62567170
  H     12.06458383      6.93687229    -11.94945065
  H     13.33877860      6.20932127    -13.66708257
  O     18.73121834     12.55970631    -12.85967655
  H     10.90846557      6.18962718    -12.65731285
  H     19.30440754      8.38272265    -12.09383828
  O     17.60216928     10.95782618    -10.79390174
  H     14.53872990     11.88264958    -11.73632102
  H     20.05329540      9.70979378    -12.27596734
  O     14.22003664      6.20331314    -14.06004156
  H     15.97435151     12.19943991    -11.27537847
  H     15.52188754      8.90397218     -9.28653673
  O     19.53245627      9.20351441    -11.64018290
  H     12.91466858      9.07250127    -14.61137562
  H     14.73177607     10.11031613     -9.80992163
  O     15.53825825      9.86846786     -9.34475325
  H     11.96337832      8.39193250    -13.61507026
  H     15.29811386      5.19850108    -15.19208834
  O     15.93088156      4.93391697    -15.87299516
  H     13.05332895     10.01474710    -12.41873653
  H     15.75987714      5.52118496    -16.61981759
          69
 Ord_Energy   -248.481995    
 O   -3.62657547      0.173236802      -1.63996124    
 H   -4.26597500      0.897044718      -1.62343979    
 H   -2.89923429      0.472989380      -1.08053195    
 O  -0.586387336       2.43126392      -3.27157187    
 H   -1.22670722       2.91136575      -2.73064470    
 H  -0.954526663       1.54425609      -3.37703395    
 O    2.89893246     -0.935348034      -3.76339221    
 H    3.52744603      -1.19925654      -4.42992306    
 H    2.18535018     -0.476437062      -4.23699856    
 O   -1.24851620       5.05313349      0.593132794    
 H   -1.79231477       4.86303043       1.36728942    
 H   -1.69576168       4.63571501     -0.155352384    
 O    2.47479320      -3.04435305E-02  -1.21829557    
 H    2.26788712      0.907112122      -1.37333059    
 H    2.74948168     -0.409049004      -2.06467175    
 O    2.33651710     -0.247193873       1.48135805    
 H    3.19343591     -0.403699398       1.87034309    
 H    2.46663809     -0.225848153      0.517209113    
 O   -3.48746562      0.188850239       2.02876830    
 H   -3.00610447      -5.76796904E-02   2.82697773    
 H   -3.68057895     -0.618927002       1.52899039    
 O   -2.02841107E-02  -1.60106945       2.46467233    
 H  -0.380009174      -2.15666127       1.76261032    
 H   0.791414559      -1.21018434       2.12206101    
 O   -1.57827127       1.14573300      0.247710913    
 H   -2.22388601      0.850275218      0.905959845    
 H  -0.809695542       1.47769618      0.733500421    
 O   0.779971480      0.392997146      -4.94370508    
 H   -5.38057797E-02  -2.50516701E-02  -4.68823338    
 H   0.668854654       1.31263340      -4.68395424    
 O   -2.37462950       3.37039208      -1.32469034    
 H   -2.06727767       2.66212416     -0.740268826    
 H   -3.32539082       3.23824883      -1.42291605    
 O   0.623786569       1.97776639       1.70353651    
 H   0.996726632       2.78240132       1.31964827    
 H    1.29155183       1.28241229       1.67345929    
 O    1.35124075       4.36885166      0.474483192    
 H    1.91468906       5.11859226      0.643686652    
 H   0.432169378       4.69109917      0.514345706    
 O   -1.09773469      -3.00415730      0.216517687    
 H  -0.728434086      -2.30725813     -0.353132308    
 H  -0.843636096      -3.83928299     -0.168559253    
 O   -4.69162273       2.60970688       1.40557098    
 H   -4.39924717       1.73671699       1.70384896    
 H   -4.12783480       3.24524784       1.86179709    
 O   -2.84216905       4.26608038       2.81400466    
 H   -2.27511001       3.58026457       3.20992351    
 H   -3.10417891       4.84657192       3.52419257    
 O   -1.19544959       2.34610677       3.78322983    
 H   -1.41500533       1.44538879       4.04737139    
 H  -0.477010936       2.25964665       3.14142799    
 O  -0.168770239     -0.844229519      -1.14406550    
 H   0.765186012     -0.610125184      -1.22317004    
 H  -0.602553368     -0.138935447     -0.644608498    
 O   -3.76175022      -1.91651773      0.311314464    
 H   -2.91725755      -2.38022041      0.257223576    
 H   -3.83705449      -1.37973678     -0.488336563    
 O   -5.08158684       2.56451488      -1.25361729    
 H   -5.01901293       2.60578537     -0.280615747    
 H   -5.93075085       2.92401218      -1.49307323    
 O   -1.54708350     -0.276157707      -3.49281669    
 H   -2.42856312     -0.183713913      -3.11228275    
 H  -0.995181561     -0.595451832      -2.76347184    
 O    1.69155192       2.50395608      -1.66418910    
 H    1.60084176       3.22266507      -1.02998674    
 H   0.918582201       2.53787112      -2.24475336    
 O   -1.76843083     -0.420367986       4.16066217    
 H   -1.86544037     -0.964046896       4.93761730    
 H   -1.11067951     -0.858033717       3.59052420    
          69
 Energy    -248.48164301639281     
  O     12.06484961     11.27007835    -15.06398869
  H     12.88855675     11.68165540    -15.34695088
  H     15.92987300      9.69568405    -17.34558277
  O     15.07281752      6.71136446    -12.77226666
  H     12.05451752     10.38862878    -15.46447526
  H     13.88558152      8.70045449    -15.08432157
  O     17.94491960      9.97244334    -12.74856389
  H     16.02459404      6.71102650    -12.61537741
  H     15.43789849      8.59796213    -15.25186845
  O     16.82957318      8.42013161    -16.37773981
  H     14.90644053      7.40646042    -13.42960768
  H     11.56396527     11.15033197    -13.41954464
  O     11.22855458      6.57627633    -14.53577429
  H     17.11102018     10.40138270    -12.98566601
  H     10.52472858     11.54492560    -12.34356637
  O     15.73028414     10.70178385     -9.17427162
  H     18.15736792     10.24517349    -11.84657702
  H     18.11700533      8.63299198     -9.69191247
  O     13.68990769      7.96431042    -10.75518783
  H     17.66464281      8.29331437    -15.91671525
  H     17.87788035      7.34384128    -10.49960560
  O     15.43921175     10.99276693    -13.35364275
  H     16.46763093      7.55921968    -16.64799882
  H     12.07841596      7.99756222    -11.69569689
  O     15.30424779      6.30194609    -17.08626155
  H     10.41044748      6.08717721    -14.51756418
  H     11.25990609      9.10030261    -12.39478429
  O     15.34427301      7.94278325     -8.47309798
  H     11.25740702      7.10372090    -13.71679880
  H     18.82275620      9.05932071    -14.10029707
  O     13.81088523      5.34508555    -14.91958386
  H     15.02234715     10.88444903     -9.80645657
  H     20.03880315      8.63722319    -14.94927870
  O     15.23358037     10.23299602    -17.75184631
  H     15.52763225      9.83691192     -8.79624459
  H     18.37479522      7.02248964    -13.14841491
  O     14.72504225      8.72202056    -14.60908720
  H     14.17635790      7.45353479    -11.41976803
  H     17.69946032      8.16427163    -12.41179444
  O     11.30712677     11.01996950    -12.48877780
  H     14.16301229      7.86835364     -9.92056592
  H     17.37474555     10.67220440     -9.72182338
  O     17.80508565      7.72260790     -9.61465375
  H     14.90230880     11.04506698    -12.55249752
  H     18.84399108     11.11653507     -9.52336553
  O     11.36803354      8.14416669    -12.33384709
  H     15.16058242     10.17570758    -13.80151929
  H     14.14359747      8.97097077    -18.28370043
  O     19.13756922      8.40154087    -14.74209862
  H     14.67353493      6.78975421    -17.62791235
  H     13.35243857      8.21799656    -19.37983758
  O     17.80522661      7.19991966    -12.39633131
  H     14.79335792      5.89795990    -16.36928987
  H     12.89843799     10.95063850    -11.53521389
  O     18.28849029     10.53130550    -10.03103504
  H     16.22651576      7.77586074     -8.84996284
  H     13.75504180      9.76117910    -11.04489583
  O     13.56603130      8.20365021    -18.45098958
  H     15.30881693      7.48182303     -7.63929072
  H     15.02657230     11.89531887    -14.86052527
  O     13.76045026     10.72316000    -11.16538345
  H     14.26971891      5.60436754    -14.11047539
  H     14.99164036     13.13308830    -15.78337649
  O     14.69725116     12.22809822    -15.71162303
  H     12.90711490      5.66267673    -14.80983979
  H     11.86063992      7.91243295    -15.62365797
  O     12.30118390      8.67631859    -16.01776599
  H     15.03303464     10.93408516    -17.12212487
  H     12.61098845      8.43539148    -16.90046294
          69
 Energy    -248.48154814895878     
  O     19.80603524     10.69164025    -13.09558522
  H     18.92409430     10.88125370    -13.45103947
  H     14.88570338      9.62000507    -12.83941477
  O     16.73842208      6.09827794     -9.93220271
  H     20.15854944      9.95026331    -13.60051859
  H     16.51707575      6.73493496    -13.45096727
  O     13.48520026      9.65646580    -10.03820216
  H     17.60660063      5.68110463     -9.97713706
  H     17.39106843      7.60351219    -12.47418030
  O     17.22220983     11.05439008    -13.98512926
  H     16.87393357      7.00669003    -10.24479886
  H     14.80577580      8.91265511    -14.93109076
  O     12.32778717      8.07014047    -12.12349780
  H     13.81859632      8.84226178     -9.62078807
  H     14.40468634      7.64465529    -14.15535138
  O     14.93083838      4.66899487    -11.52185714
  H     13.08829457     10.17842355     -9.34619513
  H     20.06022553      4.79243998     -9.81677729
  O     18.69440567      4.57581366    -13.08454576
  H     16.90846531     10.56821805    -14.75549435
  H     19.83942607      5.97287541    -10.79084037
  O     16.41115743      2.93740029    -13.19792014
  H     16.55450747     10.91942202    -13.30076508
  H     18.02791405      7.50730377    -14.79748702
  O     15.72733664      3.85670099    -15.64564349
  H     12.60409495      8.70800412    -11.45275990
  H     18.43601868      6.66554693    -16.01319954
  O     20.69378070      8.25419899    -14.32883507
  H     12.81194078      8.29834182    -12.92552521
  H     15.11750861      6.82216092     -9.15365270
  O     18.41738306      4.84231154    -15.94469412
  H     14.04981648      4.90804201    -11.20735992
  H     13.61799196      6.65573227     -9.46853797
  O     15.26676594     10.16145132    -12.13228884
  H     15.57232250      5.12733579    -10.96014965
  H     20.31797929      8.23307993    -11.11803368
  O     17.41234270      7.04499745    -13.25972437
  H     18.26715471      5.44292528    -13.15784598
  H     20.58441896      7.57992895    -12.48630558
  O     14.24123570      8.59888601    -14.21464235
  H     19.06000206      4.56319178    -12.19319496
  H     19.72507668     10.28140234    -11.44636744
  O     19.41998388      5.18080438    -10.40727049
  H     15.84572858      3.35448385    -12.53477589
  H     19.99185879     10.55123503     -9.94266748
  O     18.36694961      7.58132800    -15.70669576
  H     17.26774710      3.38178573    -13.12312964
  H     14.87073786      5.49723118    -13.12060008
  O     14.25572647      7.24001734     -9.03889154
  H     15.26054210      3.22326351    -16.18372533
  H     15.14558835      5.31886817    -14.64225984
  O     20.51662013      7.38981870    -11.54376205
  H     15.94701736      3.40827583    -14.80763473
  H     16.20226871      9.64839972    -17.01766085
  O     19.63894532      9.90704996    -10.54892983
  H     19.94395712      8.03372553    -14.90265237
  H     17.01481176      8.72908926    -16.08146514
  O     14.94719921      5.97255141    -13.96039683
  H     21.48219509      8.10803324    -14.84700233
  H     11.60665301      5.39343676    -10.56748917
  O     16.26495355      9.34536248    -16.11467461
  H     17.51955227      4.49238508    -15.99997819
  H     12.37672879      6.52844411    -11.28433649
  O     12.48055961      5.74390459    -10.71671068
  H     18.71714133      4.62360037    -15.05281438
  H     18.01179811      9.09029665    -10.75718882
  O     17.21192797      8.59245067    -10.96667193
  H     14.64140473     10.14294187    -11.39690612
  H     16.55819791      9.20505462    -11.32965255
          69
 Energy    -248.48138240126906     
  O     15.97949251      4.65042782    -13.28438530
  H     15.84189806      4.52463358    -14.23560534
  H     17.96721360      6.58706416    -17.73137364
  O     15.85438432     11.07071610    -11.27506172
  H     16.90124169      4.44580740    -13.08444568
  H     16.35408920     10.92710374    -14.71137865
  O     17.77515159     10.99989911    -13.43064442
  H     16.59330863     11.07968398    -11.89351102
  H     15.65193817      9.82486184    -15.53680933
  O     10.75468400      8.45179474    -14.73538221
  H     15.07385763     11.25921828    -11.81424618
  H     15.94234348      6.49552515    -13.15995387
  O     18.39250972      6.31839933    -10.87879415
  H     18.53516361     11.57541566    -13.46786924
  H     15.15949829      7.79387982    -12.75497932
  O     12.45595817      6.54526796    -13.45249992
  H     18.11213271     10.10580468    -13.24510279
  H     15.46215371      7.25473251     -9.83746899
  O     13.75243166     11.11220474    -13.14711419
  H     11.16730404      7.72701053    -14.25005160
  H     15.00723684      5.91097422    -10.46030386
  O     13.04009384     10.70247323    -16.63861640
  H     11.00347955      8.32915172    -15.66037785
  H     18.64534229      5.02128459    -11.97746867
  O     15.59856131      4.56032558    -15.98224062
  H     18.52195075      7.14945328    -11.34855987
  H     19.26105079      3.65951031    -12.38731716
  O     15.75298390      8.05731948    -15.85145703
  H     17.48868753      6.32712755    -10.52932460
  H     13.58856830      3.93260887    -11.26729499
  O     13.49355901      6.45555947    -16.07484263
  H     12.72846176      5.80143541    -12.90386829
  H     14.58408976      4.62224904    -12.22570231
  O     17.68071672      6.36110040    -16.84957311
  H     12.79133547      7.32208063    -12.97720232
  H     17.54602802      8.12036493    -12.90748128
  O     15.56254141     10.74017286    -15.23160610
  H     14.35408535     11.00932871    -13.89933431
  H     18.94621107      7.83871178    -13.48393004
  O     15.93880663      7.46018402    -13.21387196
  H     12.86402215     11.23026564    -13.50508633
  H     18.88630612      6.34791203    -15.35727632
  O     15.74089804      6.34794355    -10.01628520
  H     12.43610713     10.98862452    -15.94118298
  H     19.22933633      5.65657890    -14.01963029
  O     18.69195061      4.35987876    -12.69350709
  H     13.93054246     10.84525019    -16.29753275
  H     11.49016888      8.42574643    -18.22843760
  O     13.81134667      4.77630292    -11.65383472
  H     16.34382507      5.03186444    -16.37355386
  H     12.34698060      9.18411761    -17.18606260
  O     18.46582132      8.42918524    -12.88453980
  H     14.81904083      5.11248364    -16.13324149
  H     14.75170108      9.43714363     -8.79977633
  O     19.40399586      6.44446925    -14.54919693
  H     14.94211828      7.57427955    -16.05963634
  H     15.37200318      9.78608532    -10.17156224
  O     11.88812184      8.34417820    -17.36597998
  H     15.91032975      7.88192061    -14.90959201
  H     10.45447460     11.58824462    -14.32763083
  O     14.94994865      9.07367046     -9.65887940
  H     12.90046333      6.99593287    -16.61158599
  H     11.03286963     10.15787525    -14.45163827
  O     11.26953171     11.10207948    -14.41707309
  H     13.13642903      6.44600281    -15.17520456
  H     13.92216505      8.68345741    -11.15028549
  O     13.62885258      8.57456299    -12.06306920
  H     17.05618607      7.05246696    -16.57306353
  H     13.62702830      9.45580299    -12.46183444
          69
 Energy    -248.48110883621763     
  O     12.94688172     13.23145743     -9.95921836
  H     12.49028550     12.38114344    -10.08054269
  H     12.44256482     12.43155122    -14.52649293
  O     14.71415628     12.21413438    -18.08740228
  H     12.61778202     13.60731727     -9.14638239
  H     14.80928942     14.63314459    -16.06219581
  O     15.57087791      9.66334019    -11.27383625
  H     14.45421430     13.00400771    -17.57888281
  H     13.28784708     14.37617500    -16.00643878
  O     15.57049055     15.85939340    -12.34943585
  H     14.51585005     12.39762496    -19.00146077
  H     11.07419975     14.60830358    -14.79106860
  O     14.09234954     10.15252746    -16.28997818
  H     14.69548967      9.59392584    -11.68207946
  H     12.29230171     14.48599467    -13.84449269
  O     16.63691017      7.20952863    -11.91171347
  H     15.62431628     10.55805019    -10.91208105
  H     18.85710628     13.26094021    -13.88577791
  O     16.09278438      6.77026429    -14.56308781
  H     16.25111474     15.42445223    -11.82394648
  H     18.46191838     12.05162450    -13.02674721
  O     15.34360633     12.58310266    -13.48501733
  H     15.82134080     15.69916746    -13.26986816
  H     10.97413165     10.32012401    -10.10651781
  O     13.04213022      9.58030755    -12.45904198
  H     14.20493704     10.78901943    -17.00749328
  H     12.18259456     10.28267725    -11.05202413
  O     16.70160853      9.30955142    -15.66366636
  H     14.98615733      9.86860569    -16.04910413
  H     16.48708260     11.92189183    -17.44530997
  O     18.65620369     13.69625038    -15.72485021
  H     17.24653589      6.91482748    -11.23968082
  H     17.23826304     10.82251181    -16.67052114
  O     12.87977715     11.60965146    -14.27423493
  H     16.25344156      8.03636105    -11.57796012
  H     14.28718507      7.42415710    -14.60533301
  O     14.05183461     14.35110024    -16.59396544
  H     16.30982696      6.88655101    -13.62219580
  H     13.50008813      8.55922292    -15.28404054
  O     11.92996336     14.19822063    -14.70346092
  H     16.29842286      5.86520427    -14.78299519
  H     18.04262184     13.83950663    -11.68499880
  O     18.81787913     12.94849057    -12.97357202
  H     14.47478475     12.27617311    -13.77277221
  H     18.22217753     14.65845838    -10.38723605
  O     11.76461410     10.79831375    -10.34385482
  H     15.33092655     12.61343159    -12.51980825
  H     16.83656068     10.16340146    -12.60626028
  O     17.33089980     11.71530505    -17.02559216
  H     13.10655675      8.84139188    -13.08003295
  H     16.63476935     11.36470960    -13.53303522
  O     13.44164151      7.88841485    -14.59227367
  H     12.91829654     10.36433140    -13.01615412
  H     12.89182803     14.34867730    -11.52613199
  O     17.56172657     14.27782998    -10.95999841
  H     16.58049016      8.38191060    -15.43126412
  H     13.84838203     15.28842907    -12.29960138
  O     17.25258714     10.64202755    -13.33267240
  H     16.98195053      9.75161380    -14.84729886
  H     14.69811744     12.76209030    -10.33375139
  O     12.96671231     14.88743256    -12.32010991
  H     19.35590823     14.00464687    -16.29430726
  H     16.21392881     13.06444009    -10.61713064
  O     15.52362977     12.39007344    -10.66974524
  H     18.21462206     12.96770153    -16.19741243
  H     15.90375673     14.01819650    -14.37574038
  O     16.19873074     14.79836248    -14.87452662
  H     13.20853096     11.15654070    -15.06493777
  H     17.07591342     14.58110840    -15.20952940
          69
 Energy    -248.48109078861188     
  O     15.73375070      9.52514155    -10.88951833
  H     16.35068370      8.83185686    -10.61306764
  H     14.34674217      7.60956039     -8.21395210
  O     18.76817744      3.89487151     -9.85665825
  H     15.58588285     10.06540565    -10.10440260
  H     12.42003531      8.30004193     -8.82011658
  O     15.70149724      4.56060197    -12.49468404
  H     18.61659154      4.56890482    -10.54087961
  H     11.52193455      7.21593572     -9.43173417
  O     13.45261838      5.60672811    -11.31062028
  H     19.56094301      3.42799555    -10.11103252
  H     15.89403123      6.75457240     -5.82364651
  O     18.13990665      7.22881893    -14.13545415
  H     16.51433628      4.96650360    -12.16546438
  H     17.13355607      6.08004212     -6.46359150
  O     16.13662827      2.74249157    -10.36742171
  H     15.58912611      4.90248018    -13.39381100
  H     14.17304647      8.77419323    -11.46094958
  O     16.50589906      9.32225274    -13.59716847
  H     13.41246483      6.52864410    -11.60152980
  H     12.71706245      8.38240109    -11.06255807
  O     17.72880150      9.04270145     -7.60528949
  H     14.18279215      5.17724395    -11.77756475
  H     18.25855122      6.23618394    -12.57104288
  O     15.25955824      3.68405542     -7.94441956
  H     18.82636755      7.49945496    -14.73949495
  H     17.93268056      6.48093567    -11.06817597
  O     17.35444964      7.53773035     -9.83525819
  H     17.62166986      8.02689371    -13.92604135
  H     16.50080071      6.35847395    -14.74574456
  O     15.06821007      6.22188099     -9.13083667
  H     15.87899382      3.20103744    -11.17772783
  H     15.00567059      6.72336170    -14.78794762
  O     13.92008896      8.29702123     -7.67987463
  H     17.06274299      2.97167451    -10.22705416
  H     13.66034232      6.63035880     -4.52128691
  O     11.79574119      8.13464974     -9.53920225
  H     16.30847902      9.55689074    -12.68121840
  H     13.55522321      5.95700594     -5.90980785
  O     16.81129503      6.90321250     -6.08047132
  H     15.65791789      9.09579687    -13.99926496
  H     10.77759672      4.72089951     -9.70210292
  O     13.36467392      8.35002565    -11.78225910
  H     17.00913205      9.67368618     -7.71363449
  H     12.15943355      5.26972802    -10.11669226
  O     18.14098900      5.79313238    -11.72216063
  H     17.41785111      8.37048199     -6.97866278
  H     14.93908210     11.34066017     -7.89303554
  O     15.61800120      5.97906167    -14.83849054
  H     15.43481407      3.24663457     -8.79191638
  H     14.78308221      9.80762794     -8.02349090
  O     13.99343534      6.67177422     -5.41338398
  H     16.11883884      3.82424377     -7.52867374
  H     18.54076627      4.07911614     -6.63433964
  O     11.50229584      5.26394544     -9.40040671
  H     17.65444716      8.06419614     -9.08001357
  H     18.22554761      4.31918272     -8.12392594
  O     15.32578806     10.56759815     -8.29593548
  H     16.58216484      7.03189142     -9.53908073
  H     12.36395973      4.90972014     -7.71720899
  O     17.87860028      4.43168918     -7.22579521
  H     15.13676145      5.38901596     -8.64844056
  H     13.64514536      4.19896684     -7.22948545
  O     12.88688170      4.72070840     -6.92942929
  H     14.51393338      6.04462330     -9.90101033
  H     13.64465129      8.33850540    -13.53840712
  O     13.96933107      8.31598072    -14.45435852
  H     13.85204574      7.91898922     -6.79495875
  H     13.27576189      8.67946471    -14.99922507
          69
 Energy    -248.48099414755094     
  O      1.79627405      0.50161368      4.03963166
  H      1.39175137      1.34673636      4.26918144
  H     -3.46776324      3.20933075      0.69544939
  O      0.81988534      0.11465593     -3.00693558
  H      1.31886156     -0.16978524      4.54104203
  H     -3.07541898     -0.71705783      5.33097114
  O      0.14139662     -1.57332577      5.19285071
  H     -0.04301991      0.34340766     -2.64593103
  H     -2.20364405      0.09220898      4.34297679
  O     -1.33731719      0.67425864     -1.09854506
  H      1.12405072     -0.62533807     -2.45960130
  H     -0.20615038      2.99099480      2.90402005
  O      1.35581799     -1.85559404     -1.09498396
  H     -0.69642417     -1.10494841      5.35013013
  H     -0.05883779      2.57088854      1.40164134
  O     -4.32620275      3.25550722      4.01040326
  H      0.32288502     -2.09288599      5.97173494
  H     -3.93389457      2.39081570     -1.70791369
  O     -3.41990630     -2.96206571      2.81416708
  H     -1.36640555     -0.24638983     -0.80760882
  H     -2.80079406      1.60761330     -1.00266250
  O      0.46428286      2.97810483      4.63375848
  H     -0.56588543      1.07735995     -0.67512701
  H     -2.84245694      0.42092338      2.06977450
  O      2.39708588      2.15551916     -2.06836257
  H      1.69491942     -1.46845839     -0.27955290
  H     -1.58045262      1.29074572      2.39735303
  O     -5.41870628      0.65550642      3.61356868
  H      0.43661222     -2.08466053     -0.90842100
  H     -2.31903758     -2.25722321     -0.22199807
  O     -4.68304802     -1.55038172      4.95324525
  H     -4.86747946      4.01051916      4.22797727
  H     -1.11235080     -2.11743263      0.72268694
  O     -3.27739920      3.62551071      1.54249937
  H     -3.98706394      3.40878753      3.11021390
  H      0.91566814     -1.14443612      1.74712703
  O     -2.24353486     -0.23389946      5.25692151
  H     -3.85147746     -2.53538098      3.56486252
  H      1.90116272     -0.15108971      2.35301041
  O     -0.68945678      2.85217972      2.08107295
  H     -2.48462639     -2.73526718      2.86289426
  H     -2.81545204      2.84582619      5.07729455
  O     -3.64732855      2.06737850     -0.85812219
  H     -0.41757178      2.86674593      5.03159636
  H     -2.14791095      1.59826930      5.68592432
  O     -2.02763679      0.45612278      2.58605818
  H      0.88432475      3.70201002      5.09108716
  H      1.24949832      0.93753787      0.60826770
  O     -1.38575183     -2.01382127     -0.19858192
  H      3.25645532      2.18793736     -2.47918930
  H      1.49653912      1.97442245     -0.54120019
  O      1.66460191     -0.58377615      1.51766946
  H      1.90503659      1.45236837     -2.52650764
  H     -0.31336154     -1.98615246      3.40892044
  O     -2.04312133      2.55199613      5.57670411
  H     -5.20416230      0.51191695      2.68121945
  H     -1.14616517     -1.04471220      2.49849096
  O      0.90645052      1.73835825      0.18840372
  H     -5.10006544      1.54135129      3.82469701
  H     -3.95681247     -2.74558100      1.17496734
  O     -0.71052760     -1.91489928      2.53199587
  H     -5.38760109     -1.86751589      5.51115176
  H     -4.74678488     -3.14292791     -0.09878506
  O     -4.14513307     -2.49217348      0.25241386
  H     -5.01852500     -0.75664884      4.49522405
  H     -4.26173256      0.83057012      0.34977507
  O     -4.38928966      0.19798912      1.06850579
  H     -2.32842920      3.49770836      1.69142365
  H     -4.37646332     -0.69035234      0.69162173
          69
 Energy    -248.48096515002058     
  O     13.03968271      0.73479689     -9.28885563
  H     12.24222316      0.99386326     -9.76747020
  H     11.17072694      8.55818102    -12.46006119
  O     10.96512410      1.72404876    -10.97009115
  H     13.17918688      1.40439716     -8.60647232
  H     10.54162062      4.93951907    -13.02512048
  O     10.55189132      6.30197616    -15.93660996
  H     10.59710724      2.55254561    -10.62277364
  H     11.97718794      5.27770319    -12.52754573
  O     15.78034131      3.20389113     -9.42878812
  H     10.25669988      1.28286350    -11.43429580
  H     13.68357407      2.91015206     -6.56170556
  O     10.08468573      4.16124332    -10.10552770
  H     11.39226737      6.54620420    -15.50971988
  H     13.11278792      3.63632823     -7.80039168
  O     13.18327259      2.15995612    -12.67734237
  H     10.66372935      6.46821913    -16.86887711
  H     11.79006324      1.44917717    -15.57067112
  O     13.71189431      4.90896033    -12.92310326
  H     15.68118908      2.45301591    -10.02609588
  H     12.13713801      1.96550313    -14.16592437
  O     13.61304764      8.09678200    -10.38081792
  H     15.17719263      3.03467223     -8.69404174
  H     12.04510804      5.91217154     -8.33362409
  O      8.51740244      7.60083681    -14.30650283
  H     10.45438747      4.62925948    -10.87375279
  H     11.42594262      4.66030011     -9.00875688
  O      7.63660723      5.33517252    -12.95515244
  H      9.18574179      4.49514582    -10.00249654
  H     14.39215551      0.74341071    -10.39411747
  O     12.93100454      9.08369445    -12.80395526
  H     13.92960210      1.72359291    -12.24773399
  H     15.62520626      0.11634701    -11.09188219
  O     10.36254486      8.07698100    -12.24888571
  H     12.43179792      2.06866314    -12.07494040
  H      9.97470503      4.78614727    -15.04196543
  O     11.04007538      5.36888317    -12.31540803
  H     14.05284951      5.13340795    -12.04520415
  H     10.27116301      3.31655255    -14.60910810
  O     13.63348280      2.86761267     -7.51343984
  H     13.60691303      3.94894904    -12.93833806
  H     15.03053533      4.72761279    -10.04060292
  O     11.43369218      1.93718325    -14.83208102
  H     12.95172087      8.06121045     -9.68018697
  H     13.61190789      5.26077434     -9.74611310
  O     12.20470878      4.98007549     -8.53206629
  H     14.05616595      7.23795631    -10.36833727
  H      6.72306016      5.38269171     -9.95716735
  O     15.09659857      0.90864253    -11.04756117
  H      9.08219868      7.93823171    -13.59719601
  H      7.59522906      5.41261595    -11.23337898
  O      9.73984346      4.09734098    -14.40371407
  H      9.12922519      7.24327692    -14.96045047
  H     11.56614743      8.31277427     -7.57917806
  O     14.39418822      5.41156487    -10.29264030
  H      8.19157048      4.71391438    -13.44092269
  H     10.79119032      7.70951920     -8.77502845
  O      7.62462151      5.44827223    -10.25900053
  H      7.77301683      6.18216230    -13.40492064
  H     13.31214447      6.21644847    -14.20264588
  O     11.64459019      7.69818297     -8.30376521
  H     13.30549123      9.95393702    -12.90981428
  H     12.94727599      7.71080881    -14.12561640
  O     12.89371447      6.93445590    -14.69614696
  H     13.22930499      8.75399629    -11.93689184
  H      9.63150194      7.95733357    -10.59478724
  O      9.34829373      7.69652788     -9.70578354
  H     10.59180454      7.13540713    -12.28287432
  H      8.70381726      6.99151723     -9.82887599
          69
 Energy    -248.48090066667373     
  O     13.70936792      5.61429732    -15.87943333
  H     13.88077532      6.43758571    -16.34811710
  H     19.70616077      5.60096095    -16.97011034
  O     18.41228057      7.67386151    -12.32154920
  H     13.83113275      5.80038107    -14.93749258
  H     18.12169905      7.96695562    -16.90223983
  O     18.92365898      5.81019762    -18.77066209
  H     19.19798140      7.57621206    -12.87307754
  H     18.88213241      7.57146893    -18.18082385
  O     16.18864299      5.81364338    -18.56866394
  H     17.87061294      8.36334943    -12.73622202
  H     16.09750375      7.56502546    -16.13034111
  O     14.36885315      8.90029069    -10.22836811
  H     19.17395479      5.42513429    -19.60607413
  H     16.92034594      8.05789972    -14.91597083
  O     14.30417923      6.16323702    -13.20148603
  H     17.95074689      5.78643344    -18.73360085
  H     13.25266056      9.19813557    -14.58795782
  O     16.77639675      9.39156319    -13.67372623
  H     15.86744571      5.03935778    -18.08794011
  H     11.93406506      9.14607726    -15.37583173
  O     17.32526163      4.70592506    -15.20299324
  H     15.61778411      6.54449639    -18.31234726
  H     16.41486165      4.99315217    -10.90795879
  O     13.53420182      6.13665304    -10.56086661
  H     15.27870639      8.57043523    -10.11737012
  H     16.43376430      4.20927538     -9.57502180
  O     19.82233003      9.82299873    -15.63765154
  H     14.20040320      9.48971995     -9.49821045
  H     15.24480258      8.77012818    -17.52350063
  O     15.29829577      3.70001245    -16.88542511
  H     15.22018253      5.88795442    -13.06907145
  H     13.99617455      8.46264533    -16.67011546
  O     19.86374505      5.51229798    -16.02372252
  H     13.86755004      6.06276826    -12.34242852
  H     21.44376447      7.28283200    -13.95109233
  O     18.64740099      8.32820789    -17.63318777
  H     15.83471751      9.36781037    -13.45935318
  H     20.30786471      6.76449882    -14.85536121
  O     16.89821407      7.39433696    -15.61637271
  H     16.95870151     10.17083326    -14.21381353
  H     17.47598222      6.12436344    -12.48737515
  O     12.88199002      9.17635424    -15.48344913
  H     16.70264390      4.21858829    -15.75397505
  H     17.12546257      4.93962091    -13.43594879
  O     16.10826826      5.00656533     -9.98440425
  H     17.17078347      5.65018882    -15.37705238
  H     17.49643159      7.81029999    -10.65708255
  O     14.68703995      8.04205747    -17.20479091
  H     13.67076729      7.06744755    -10.34567552
  H     16.65434306      6.83733549     -9.80811359
  O     20.52876695      7.42924497    -14.17993063
  H     14.31773423      5.67624993    -10.23242244
  H     17.25761660      9.52927219    -17.95352405
  O     16.93529879      5.32553983    -12.57024938
  H     19.57322589      9.37010303    -16.45721589
  H     16.68920130     10.61253336    -17.03555502
  O     16.83085726      7.77468530     -9.95852695
  H     20.11555618      9.12037785    -15.04729228
  H     14.18735707      7.95571295    -13.14725183
  O     16.45906390     10.04852056    -17.78246265
  H     14.83764482      2.88585339    -17.06651810
  H     14.11714225      9.05339281    -12.06092496
  O     14.12971381      8.91531213    -13.01639793
  H     14.64688287      4.31578528    -16.50016588
  H     18.45069952     10.89539144    -15.48647928
  O     17.60187352     11.37276893    -15.43519875
  H     19.07791722      5.06131295    -15.68490874
  H     17.81163981     12.30126818    -15.38122246
          69
 Energy    -248.48085926607595     
  O     19.54135387     11.40139726     -9.44583395
  H     19.59352322     12.27093757     -9.05999426
  H     20.89548053     10.09616955     -9.63013876
  O     18.08043092      6.23073480     -9.53188323
  H     18.99717836     10.85704221     -8.84558536
  H     19.04079403      7.93714826    -16.10191175
  O     19.32475569      3.77807598    -12.42396107
  H     18.63704601      6.80666957    -10.08219269
  H     19.54628781      8.50362363    -14.75321938
  O     20.39130292      6.15602574    -13.39135353
  H     18.66777195      5.81949732     -8.88800952
  H     20.66789173      4.28199998    -11.01323277
  O     17.01726326      5.06544617    -11.77090899
  H     19.19800814      2.86727510    -12.67642283
  H     21.88108286      5.22521083    -10.82090250
  O     22.75598901      6.36930995    -11.97235698
  H     18.44737389      4.13429486    -12.20184958
  H     13.72884134      6.82748695    -14.81100515
  O     20.32700658      8.05390693     -7.41305567
  H     19.92746925      6.56751959    -14.12873007
  H     14.96009302      7.05885710    -13.90509869
  O     13.62403406      7.20365346     -9.59625664
  H     19.99930143      5.29030137    -13.21714614
  H     15.21375577      9.37712636    -11.83120002
  O     19.56717262      7.77989487    -11.20054277
  H     16.05360957      5.00620851    -11.69563913
  H     16.41172062      8.58913127    -12.40952221
  O     18.16143953      9.73865692     -7.87152985
  H     17.35039850      5.42017083    -10.93316087
  H     17.49382186      7.39405453    -14.13983646
  O     18.70175089     10.37148000    -11.90906928
  H     22.04557893      6.25193709    -12.62014348
  H     16.95332059      6.45826375    -12.99733913
  O     21.42090064      9.30020405     -9.78705614
  H     22.94574016      7.31254746    -11.99467532
  H     23.61709155      9.79107080    -12.15126349
  O     18.99481387      7.80828251    -15.15853191
  H     20.33830653      7.09748137     -7.53781668
  H     22.41938265      9.35664524    -11.27948879
  O     21.26525495      4.64404455    -10.35130243
  H     20.91979943      8.41777423     -8.08071675
  H     16.79895310      7.44074296     -9.23954034
  O     13.99399018      6.95519162    -13.90375714
  H     14.50192688      7.54443051     -9.35478691
  H     16.22372217      8.61658220    -10.08175847
  O     16.17776599      9.29976920    -11.79651712
  H     13.11018377      7.17764159     -8.79315459
  H     13.47047396      8.31487547    -12.63078935
  O     16.73545772      7.20322188    -13.57528739
  H     19.24543468      8.62846304    -11.53235250
  H     13.34437224      8.39554430    -11.09951510
  O     22.81375394      9.27589113    -12.16386211
  H     19.91680941      7.27270688    -11.94362580
  H     19.88594075     10.07004739    -13.26256464
  O     16.16606291      8.17416458     -9.22262310
  H     17.40582920      9.24176830     -8.20245971
  H     21.32019447      9.50954447    -13.40099654
  O     13.45205342      8.93668159    -11.89208652
  H     18.83571183      9.09538965     -7.60393385
  H     20.63121863      5.02112466     -8.79573560
  O     20.49794156      9.64944333    -13.88440147
  H     18.94411799     10.83363840    -11.09631867
  H     20.37520666      4.56205806     -7.33971630
  O     20.17308340      5.25098227     -7.96637151
  H     17.75517664     10.17464033    -11.86902338
  H     14.01749766      5.83995955    -10.86875978
  O     14.29746788      5.27419005    -11.59955685
  H     20.82078262      8.65692969    -10.19649773
  H     14.03790466      5.73979123    -12.40398358
          69
 Energy    -248.48080882405020     
  O     12.84944453     11.89656477    -17.22486829
  H     13.47920572     11.59540239    -17.89079535
  H     15.92065070     10.88267174    -17.57792726
  O     17.40906127      5.99817730    -14.86064312
  H     13.37764316     12.15577716    -16.45854085
  H     14.41630411      9.52601950    -13.36450868
  O     18.61750367     11.31645922    -15.14815414
  H     17.16398801      6.83592987    -15.27836717
  H     14.95922020      8.12300193    -12.93355385
  O     14.99288396      4.86161546    -14.48603324
  H     17.99884782      6.22561171    -14.13178768
  H     11.60930192     10.67106554    -17.07392285
  O     14.81312956      9.51003003     -9.67934253
  H     17.89515433     11.19451181    -15.78474845
  H     10.16832176     10.20605699    -17.39249477
  O     14.58432865      6.50432062    -12.22620086
  H     19.28916267     11.82579479    -15.59672040
  H     16.88256263      8.23809092    -10.95905011
  O     12.90650803     10.52420081    -13.45089471
  H     15.00731077      3.91573606    -14.60241338
  H     16.08076753      6.93979051    -11.24138762
  O     13.13568803      8.45769665    -18.33048823
  H     15.90273582      5.18110738    -14.63311233
  H     11.77850929      7.66168220    -13.07284975
  O     16.29308599      8.40287597    -15.71430515
  H     15.15179782      8.65428942     -9.41416467
  H     11.99283491      8.19978559    -11.64097700
  O     13.93169246      6.98727970    -16.04896230
  H     15.53197124      9.92574533    -10.17859420
  H     17.45025312     12.18318987    -13.84654702
  O     19.15026323      9.70478072    -12.81729100
  H     13.63981353      6.70208953    -12.13226937
  H     16.72601847     11.88955814    -12.52819581
  O     16.36207694     10.99346380    -16.72664808
  H     14.68081849      5.86016758    -12.93844630
  H     19.68077111      6.36868787    -12.21885577
  O     15.21284428      8.98606003    -13.28914245
  H     12.45454216      9.82655245    -13.94818860
  H     18.25779251      6.90476895    -11.95197349
  O     11.00792057      9.90481739    -17.05600371
  H     12.64102130     10.44153443    -12.52629138
  H     17.74501787     10.08763180    -11.80146267
  O     16.89640633      7.28057848    -10.84442165
  H     13.39856586      7.81240019    -17.66191598
  H     16.26189654      9.80733070    -12.15599530
  O     12.00198922      7.39406410    -12.17175742
  H     12.32201494      8.85894894    -18.00069433
  H     14.83250507     10.62445347    -19.90267386
  O     16.70883914     12.46778340    -13.29781780
  H     16.38606399      9.23714232    -16.18634179
  H     14.21568849      9.76020355    -18.77803196
  O     18.94938538      6.82347462    -12.63024485
  H     15.99205118      8.63544956    -14.82127439
  H     11.76813413     10.30512641    -10.12513267
  O     16.84004849     10.16888549    -11.46300945
  H     14.74481868      7.51319087    -16.01532473
  H     13.19996637      9.77205018    -10.35334031
  O     14.73613848     10.56407608    -18.95609138
  H     14.14083589      6.15640676    -15.60765594
  H     13.90036050     11.66152279    -14.43808795
  O     12.33386703      9.89885159    -10.77690609
  H     19.17904741      8.74833945    -12.93724606
  H     15.24269084     12.42579634    -14.36783185
  O     14.53249160     12.16371006    -14.97155661
  H     19.04142340     10.10561865    -13.68828477
  H     12.55129105      7.87562878    -15.23332918
  O     11.83329448      8.39544360    -14.84397121
  H     15.71219706     11.38804038    -16.12508183
  H     11.40877082      8.86532946    -15.57331235
          69
 Energy    -248.48076256563627     
  O     -3.80188795     -0.94538731     -0.28311862
  H     -4.03135931     -1.83650229     -0.57149975
  H      0.58742662     -6.62946596     -0.09808778
  O     -4.72607124     -2.29377430      6.49245898
  H     -4.14089675     -0.88074341      0.62007131
  H      1.53400179     -0.57925613      4.06619088
  O     -0.28319943      0.91949295      1.74839276
  H     -5.02198292     -2.60142607      7.34525828
  H      2.58883707      0.50968656      3.77062480
  O     -4.57862617     -1.25350803      2.39155999
  H     -4.68054836     -3.07778693      5.91362201
  H     -1.26935381     -1.68921844      2.35636873
  O      0.80656036     -1.62845323      5.27914463
  H     -0.98471156      0.63789006      2.35305618
  H     -1.01783945     -1.81071861      0.84266148
  O     -4.38945683     -4.40763467      4.84691107
  H      0.53564812      0.68840593      2.20098600
  H     -1.39944828     -3.90736013      1.94351617
  O     -1.98870443     -1.91403611      5.73244272
  H     -5.19409986     -1.03287682      3.10373388
  H     -1.06368364     -5.36310763      1.56822286
  O      1.20239949     -4.48409910      5.36146935
  H     -4.52172443     -2.21678494      2.33508121
  H      0.87854837     -2.34102727      1.73603880
  O     -1.11780758     -0.51392816     -0.47542443
  H      1.03366764     -2.56439927      5.33268484
  H      2.10190421     -1.54627667      2.21488852
  O      1.85928293     -4.91926864      2.77017967
  H     -0.11278427     -1.56990752      5.56614564
  H     -3.41803276     -4.39865888      2.05920761
  O      1.68864346     -3.73294859     -0.67669233
  H     -3.45285396     -4.62671860      4.94448595
  H     -4.50717447     -3.98364526      1.06519294
  O      0.30448826     -5.81551241      0.31139167
  H     -4.55164629     -4.34732408      3.89737508
  H     -3.01284527     -0.63995258      3.02196001
  O      1.95380435     -0.06590561      3.35271562
  H     -1.85481368     -2.81951660      5.41446579
  H     -2.07918553     -0.85265580      4.24271574
  O     -0.91948236     -2.28352564      1.67863389
  H     -2.87254425     -1.89831551      6.11588959
  H      0.00828898     -1.82094661     -3.13246058
  O     -1.64558948     -4.83230093      2.11988056
  H      1.46818076     -4.69655637      4.44904346
  H     -0.42470614     -1.54094260     -1.67348116
  O      1.84852966     -2.34219524      1.73458990
  H      1.80490055     -4.94570339      5.93859031
  H     -1.21100554     -3.65674805     -1.77168472
  O     -4.31751642     -4.04407573      2.01004397
  H     -0.80068030      0.10307205      0.19998495
  H     -1.15911697     -4.88498785     -0.84515063
  O     -2.12884245     -0.44899773      3.36745193
  H     -2.08792506     -0.54040790     -0.45345625
  H     -6.35879674      0.15473688      5.04214540
  O     -0.09040542     -2.22910110     -2.27665377
  H      1.39773494     -5.38090732      2.06660655
  H     -5.64019923     -1.17042442      5.34500411
  O     -1.75220481     -4.35971512     -1.38838461
  H      1.99091416     -4.01600508      2.44380846
  H     -1.55474866     -4.71849448      3.91695194
  O     -6.06419714     -0.65915472      4.63984871
  H      1.91539672     -3.16485781      0.07267546
  H     -0.64701025     -4.63159316      5.16376251
  O     -1.56362217     -4.55631867      4.87165192
  H      1.19407021     -3.18242057     -1.29657533
  H     -3.43054146     -3.99062978     -1.01999331
  O     -4.34281765     -3.73044732     -0.80285708
  H      0.84878062     -5.10081906     -0.06976456
  H     -4.89752814     -4.06957347     -1.50075324
          69
 Energy    -248.48070950102365     
  O     12.20061193     10.70057248    -13.59092204
  H     12.26526202      9.95138699    -14.19957389
  H     18.80396709      7.10103388    -15.17916752
  O     15.43859646      6.61970020    -12.96470840
  H     12.79598349     11.37026390    -13.94622233
  H     14.84341629     11.61515471    -16.15224093
  O     18.19382850      9.80012749    -11.63978492
  H     14.75474149      6.76714383    -12.29686743
  H     16.00602226     10.80150876    -16.76632082
  O     17.43564526      9.78607768    -16.15271602
  H     15.50750180      7.44324238    -13.47386831
  H     16.06042187      9.19012116    -15.07238478
  O     13.53139307      5.91643124    -14.90743535
  H     18.08439237      9.96574445    -10.69486766
  H     14.54089356      8.92291260    -14.78199992
  O     14.84193344      9.67798502     -8.80758038
  H     18.08640576      8.84424955    -11.76326830
  H     17.67992785      6.95773630    -10.16381901
  O     13.39987255      7.22427789    -11.15160580
  H     17.65045622      8.90903846    -16.49961041
  H     17.57001099      8.03140717     -9.06219425
  O     15.81790903     10.92556522    -12.60078878
  H     18.10977505     10.00996301    -15.49847670
  H     12.19064957      6.33567186    -12.21644902
  O     15.15074352      6.70545035    -17.12291163
  H     12.77629221      5.74094264    -14.32731077
  H     10.75292451      6.16288945    -12.72799285
  O     14.73026868      6.81250512     -8.71886868
  H     14.28855327      5.98770399    -14.30919438
  H     18.99507984     10.12010984    -13.21780320
  O     17.81449802      7.10493505    -16.84093969
  H     14.70552807      8.73594315     -8.64695500
  H     20.14736728     10.70412838    -14.06289372
  O     19.32403261      7.27073560    -14.38426554
  H     14.27293990      9.90081140     -9.55568620
  H     18.54203961      6.98392834    -12.77213788
  O     15.11671740     11.13786086    -16.94462409
  H     13.77708856      6.99533569    -10.29258407
  H     17.08627823      6.78491853    -12.28855402
  O     15.42318311      8.94866266    -14.38952573
  H     13.39672604      8.19025247    -11.21265832
  H     17.84057129     10.45771880     -8.16527271
  O     17.37199204      7.10860864     -9.25949374
  H     16.65810116     10.69178700    -12.19162633
  H     16.56660724      9.95337067     -8.88217823
  O     11.65178683      5.88334794    -12.88450728
  H     15.63301445     10.20445404    -13.22674319
  H     14.20586154      9.84438037    -17.66654198
  O     19.36233792     10.16411475    -14.11596774
  H     14.67043997      7.45319390    -17.49850805
  H     13.31808258      9.27682845    -18.80097829
  O     17.97040207      7.04826047    -11.99443971
  H     14.56797434      6.30961568    -16.46269433
  H     12.88850939     10.24789004    -11.97005170
  O     17.53880571      9.98520181     -8.93639015
  H     14.60489148      6.19377975     -8.00453675
  H     14.37241929     10.34876160    -11.60668546
  O     13.71521651      9.05652469    -17.96292512
  H     15.68503739      6.82984628     -8.91148392
  H     14.39743578     13.36271242    -14.29364116
  O     13.52686911     10.01021063    -11.28216473
  H     18.24613179      6.65446534    -17.56266533
  H     14.95438821     12.02469102    -13.76441692
  O     14.40476019     12.42248383    -14.45924969
  H     16.86593652      6.89868436    -16.91694192
  H     12.93073007      7.65897445    -15.19927736
  O     12.81537733      8.60604492    -15.35548397
  H     19.48297715      8.22182043    -14.37267723
  H     12.95137769      8.75926697    -16.29955051
          69
 Energy    -248.48066639372809     
  O     -3.54736826     -0.00202541      0.96980602
  H     -3.99072875      0.85774562      0.92228799
  H     -0.40730938     -0.24785786      1.98771498
  O     -0.62475906      2.94531696      1.76409202
  H     -3.14163518     -0.12174478      0.10014709
  H     -4.43096228     -3.07694459      1.62601627
  O      0.15854347     -0.23554111      4.92966131
  H     -1.29640488      3.60780014      1.55843766
  H     -3.68331947     -1.77890879      1.25287775
  O      1.20286004     -4.11132262      0.49802450
  H     -0.26919455      2.63568626      0.91916289
  H      3.03202621      0.56038581      1.55868078
  O     -2.55528453     -0.28704999     -1.65187323
  H      0.33970813     -1.16931385      4.74571396
  H      2.78036362      0.25762179      3.06077928
  O     -3.62617311      2.11603043     -2.35142095
  H     -0.58564992      0.02989489      4.37621466
  H     -2.37619543      0.40894604      2.34938668
  O     -4.44137041      2.52186684      0.38610052
  H      0.41083177     -4.01879972      1.04763954
  H     -1.33090126      1.52284588      2.61858365
  O     -1.52357779      3.86992040     -1.56663658
  H      1.92390969     -3.75818183      1.03114439
  H     -2.99195726     -3.10139717     -0.55915010
  O      0.58447875      2.17491949     -0.68535556
  H     -1.59281462     -0.24923161     -1.57100329
  H     -1.78956385     -3.20483644     -1.53551847
  O      0.14539809     -3.25974443     -1.84305475
  H     -2.77278822     -1.22737987     -1.72879062
  H     -1.87626044     -3.15823195      1.85962566
  O      0.16785448     -0.50864334     -1.25348964
  H     -3.27468663      1.22615866     -2.17610511
  H     -0.53051950     -2.38991054      1.80381210
  O      0.20509464     -0.76469089      1.44657385
  H     -4.13722135      2.05603456     -3.15445918
  H      2.07547534      2.63713885      3.53518427
  O     -3.60478090     -2.74663030      1.28104227
  H     -4.30925224      2.45007632     -0.56801082
  H      1.01838244      3.25411061      2.58268366
  O      2.85944689     -0.15129317      2.18703900
  H     -3.91320550      3.28175096      0.65756960
  H      3.10438021     -1.94060935      2.23924255
  O     -1.63609026      0.65394052      2.91971074
  H     -2.19277203      3.28486290     -1.94488838
  H      3.96566737     -3.18325025      2.54834024
  O     -2.73233266     -3.00305417     -1.48287701
  H     -0.73951371      3.32984414     -1.40247521
  H      1.62674019     -2.94975192      3.68994524
  O     -0.93303656     -3.24212120      2.03519373
  H      1.49190805      2.23506900     -0.36220527
  H      0.10907754     -3.13130396      3.60292211
  O      1.95873776      3.26284883      2.80906167
  H      0.47209548      1.26935077     -1.00578447
  H      1.57899306      0.67275769      4.80574108
  O      3.07921979     -2.90692121      2.32707024
  H      0.57553787     -3.59517170     -1.03638213
  H      2.88238534      1.18736218      5.46418251
  O      0.81505708     -2.84379838      4.19773233
  H      0.44574185     -3.81010817     -2.56167109
  H     -2.73117215      5.62677893      0.83511254
  O      2.41941509      1.13756282      4.63285645
  H      0.18047755     -0.60836836     -0.28708103
  H     -2.20502715      4.50051927     -0.09067262
  O     -2.57847916      4.68698046      0.79072631
  H      0.25649517     -1.40107723     -1.60933722
  H      2.76327661      2.67232783      1.39795819
  O      3.11242986      2.20626568      0.61509423
  H      1.09764418     -0.58225902      1.76268880
  H      3.89297255      2.67772413      0.33628614
          69
 Energy    -248.48015115609840     
  O     18.96836166     11.68362307    -18.64072100
  H     18.84859566     11.15506542    -19.42508631
  H     20.03701219     15.49964548    -17.18500586
  O     17.93115055     18.36218854    -14.01584272
  H     18.32185008     12.41174110    -18.69522914
  H     15.16806043     13.16936725    -13.91184834
  O     22.72183126     12.68368808    -15.83333231
  H     17.52864517     18.37953915    -14.89150059
  H     15.52636706     11.72451969    -14.30466462
  O     16.21685353     14.53461012    -13.06769890
  H     18.87470876     18.20464400    -14.16335572
  H     23.12155576     14.39451892    -15.23484968
  O     16.92108284     10.55263818    -13.87367747
  H     23.31405554     11.94226681    -15.92057212
  H     22.78118899     15.39193436    -14.09668863
  O     14.90815570     13.51848771    -16.99576316
  H     22.28329999     12.79994928    -16.69715632
  H     19.03822835     12.76865856    -13.28300911
  O     21.38118222     13.08190881    -18.12428144
  H     16.42704206     15.33841730    -12.57621608
  H     17.82112036     11.91931244    -12.86885696
  O     22.44084314     17.32952865    -16.56019026
  H     16.95233291     13.92128946    -12.92255955
  H     16.54035756     17.11346008    -16.26631442
  O     17.21388727     16.86511552    -11.87827052
  H     17.49450643     10.63855477    -14.65817308
  H     15.94709126     18.40155762    -16.88353033
  O     20.20240564     12.88841871    -14.61833518
  H     16.87089278      9.62293227    -13.66993570
  H     22.33211269     16.23885029    -11.79327645
  O     17.16653867     13.66208712    -18.72954924
  H     14.01532250     13.51768655    -17.33091221
  H     20.99151790     15.58466638    -12.18825609
  O     20.54585128     15.75939504    -17.96951878
  H     14.88531617     13.04638586    -16.14437491
  H     21.13250649     17.59804700    -15.23430579
  O     14.92065061     12.44945844    -14.50615287
  H     20.58856650     12.57092628    -18.32943427
  H     20.98282634     17.05696613    -13.78667526
  O     23.22340955     15.31157687    -14.95076263
  H     21.13934876     14.01233018    -18.22314663
  H     18.71518858     15.71525126    -11.61495938
  O     18.30668897     12.72253520    -12.64707029
  H     22.80335417     16.59691818    -16.02762995
  H     19.08058667     14.22229751    -11.77914484
  O     16.76656489     17.99794283    -16.60558844
  H     23.17903541     17.86738274    -16.83232585
  H     18.68264914     11.12084935    -16.86688853
  O     21.81476457     15.96205110    -12.54554513
  H     17.43859122     17.42942363    -12.63961693
  H     19.22461218     11.59975334    -15.50912974
  O     20.50677061     17.49170775    -14.50684863
  H     16.88121034     17.44326023    -11.19696239
  H     19.52596926     16.02634039    -15.16062842
  O     19.44960093     15.09070782    -11.57631825
  H     21.10780234     12.76749459    -14.92469049
  H     18.23779489     15.30340411    -15.68386757
  O     18.62090948     10.96483646    -15.91803199
  H     19.87613106     13.71796466    -15.00044680
  H     18.86438913     16.26101815    -18.65556326
  O     19.19708095     15.23431754    -15.60497577
  H     17.36261307     14.60751372    -18.79096411
  H     17.62484731     17.01226545    -18.13006165
  O     17.90900012     16.35463592    -18.77270575
  H     16.37391754     13.56683827    -18.19026393
  H     16.29600408     15.19451807    -14.73443078
  O     16.38963018     15.47921962    -15.65395574
  H     21.23048466     16.35902618    -17.65092562
  H     15.89029807     14.85665968    -16.19614455
          69
 Energy    -248.48012355869102     
  O     17.66771570      8.13794238    -16.02599326
  H     18.30065208      8.14998700    -15.29960502
  H     17.79308633     11.08651305    -17.26763819
  O     14.90241813     10.36798271    -11.43668749
  H     16.88272392      7.70330392    -15.66920075
  H     14.39205808     10.49220365    -19.01217569
  O     18.32768722     14.76443256    -15.20897686
  H     14.54912778      9.85889305    -10.69694404
  H     15.55477550     10.61055130    -17.99430661
  O     15.32952874      7.30054731    -14.61537667
  H     14.19030774     10.43157569    -12.09152841
  H     18.34269553     13.99583544    -13.38042237
  O     13.78182298      8.53783842     -9.60969387
  H     17.37231949     14.95448401    -15.23668455
  H     18.60685223     12.55414960    -12.95999572
  O     15.23404379      6.58030821    -10.82973455
  H     18.77064222     15.60739867    -15.26647244
  H     13.00774788     13.79121111    -13.75122990
  O     16.02628915     11.55184362    -14.45825392
  H     14.66221990      6.77239133    -14.16079785
  H     13.14919366     13.03204120    -15.07746945
  O     12.83787363     10.47358925    -13.32208696
  H     14.87867417      8.07161858    -14.99407673
  H     18.31847305      8.38181009    -13.07819317
  O     16.67341788      8.41350399    -12.45995589
  H     13.66412685      8.40770406     -8.67293562
  H     19.75831084      7.81330314    -13.11529713
  O     18.78391512     11.10331942    -14.08190694
  H     14.30905705      7.78676356     -9.93607134
  H     12.81212971      5.30365705    -13.12800004
  O     14.31150933      9.65853317    -15.52390799
  H     14.65607017      6.21949591    -11.51407934
  H     12.88464245      6.77408960    -12.65231625
  O     17.20754904     10.39367849    -17.58752681
  H     15.88613633      7.11555476    -11.30108609
  H     14.69588594     14.31330306    -12.47031482
  O     14.59382196     10.73553655    -18.11366362
  H     15.80746094     12.06020377    -13.66786602
  H     13.92593360     15.61217093    -12.13116702
  O     18.32542245     13.41296806    -12.61284311
  H     16.95968994     11.32004876    -14.38377887
  H     16.65022790     13.11712127    -12.06059844
  O     12.64794448     13.04998117    -14.25222398
  H     12.64226405     11.39570406    -13.54257500
  H     15.51927194     12.09867386    -11.61709215
  O     19.15846539      8.39708520    -13.57122692
  H     13.21687951     10.09179723    -14.12555236
  H     15.15791647     12.52288732    -15.74313521
  O     13.41551203      6.02781141    -12.98512518
  H     16.20531355      8.04044610    -13.22291188
  H     14.47312056     12.35389989    -17.10992084
  O     14.16088741     15.03290057    -12.85093398
  H     16.15335515      9.16175488    -12.13988925
  H     12.19685779      8.98798838    -12.42398011
  O     15.69376557     12.96775487    -12.00105609
  H     19.05638104     11.39323794    -14.96167836
  H     12.50714985      8.32261317    -11.06751085
  O     14.57719926     12.97114547    -16.37764176
  H     19.04609802     10.18363642    -13.95869837
  H     15.24351824     14.58154842    -15.79454424
  O     12.10937995      8.16019197    -11.93106255
  H     14.96692544     10.25666392    -15.12992484
  H     15.16190068     15.31286737    -14.43945137
  O     15.68343930     15.24843868    -15.24861189
  H     14.23960027      9.91610573    -16.44996109
  H     18.76498926     13.23934290    -16.12367746
  O     19.04029757     12.40886391    -16.54443292
  H     17.40577130      9.59320696    -17.07811398
  H     19.75144737     12.62828563    -17.14229990
          69
 Energy    -248.48005662406695     
  O     15.74282920     10.50374615    -10.14968152
  H     16.24093993     11.31692522    -10.29870956
  H     10.52185202      4.27005695    -11.33837953
  O     17.09558615     11.91123640    -15.06736266
  H     16.08472362      9.84802319    -10.77363521
  H     11.56591256     10.14290143    -10.28903002
  O     10.83308897     11.11742166    -14.18336434
  H     17.51198242     11.45205972    -14.31586591
  H     11.11303199      8.72640165     -9.83901584
  O      9.27832338      9.53425844    -12.33733158
  H     17.80016894     12.17296614    -15.65402794
  H     14.13545716      7.46189738    -11.12765848
  O     13.29107935     12.07746228    -13.47860990
  H     11.13562930     10.54235331    -14.89622793
  H     14.77582070      7.39338566     -9.70054922
  O     14.70876089     10.47967366    -15.35180922
  H     10.27739428     10.58383568    -13.60387578
  H     11.37665692      6.35583992    -10.05572198
  O     17.18034092     12.73865298    -10.97488551
  H      8.37314655      9.76283801    -12.14573303
  H     12.73443567      6.91395961     -9.64244423
  O     16.70994471      8.47075845    -11.85839278
  H      9.76991697      9.59735067    -11.49718511
  H     16.15727818     13.10684710    -13.85973843
  O     13.53987805      4.87256863    -12.16874153
  H     12.36170747     11.90487416    -13.69283646
  H     14.77719179     13.16879251    -13.17825701
  O     18.13198377     10.76217194    -12.82823147
  H     13.80510438     11.51934840    -14.07705281
  H     12.06384106     10.10958107    -17.20015043
  O     13.20763733      8.44006996    -12.34475099
  H     15.52341501     10.99521460    -15.39362774
  H     13.11219784     10.04318155    -16.07043610
  O     10.93938492      5.11940999    -11.45033744
  H     14.94662485      9.61526430    -14.98344977
  H     14.43746333      4.90249026    -15.53763385
  O     10.78872375      9.59436959    -10.11747595
  H     16.61530556     13.07981042    -11.69195694
  H     13.44016156      6.03300999    -15.18012945
  O     14.64510042      6.89775732    -10.52318226
  H     17.59162174     13.49281316    -10.56216476
  H     12.12141401      7.89878597    -15.91349537
  O     11.79031806      7.03717335     -9.51054801
  H     16.31047844      7.77787360    -11.32158309
  H     11.51045261      7.06137914    -14.77515178
  O     15.68819913     13.48410666    -13.10552282
  H     16.31141948      8.36110303    -12.73507249
  H     10.66323583      6.56871210    -12.56113895
  O     12.22762548      9.74169354    -16.33435914
  H     13.82689762      5.07074830    -13.06813927
  H     10.12299134      8.00885164    -12.88324972
  O     14.23965308      5.56220862    -14.87855526
  H     14.06703923      5.42458805    -11.57642413
  H     15.19263349      9.34931832     -8.82745153
  O     12.06647058      7.00123613    -15.56534757
  H     17.83024443      9.91414606    -12.48145946
  H     14.12823747      8.86911493     -7.82199224
  O     10.75527529      7.32897197    -13.14974271
  H     17.96260791     11.41289636    -12.13503398
  H     14.45380942      8.24729221    -13.52989561
  O     14.85687405      8.56785246     -8.36158230
  H     12.34633515      8.08132912    -12.59042271
  H     15.05747708      7.19286121    -14.48266685
  O     15.19967855      8.07963561    -14.13213307
  H     13.07451250      9.28810328    -11.90324296
  H     13.16248578     11.39698130    -11.80768328
  O     13.11319432     10.87128906    -10.99679672
  H     11.86109025      4.94908428    -11.71920895
  H     14.00844901     10.81517295    -10.63874531
          69
 Energy    -248.47976043255449     
  O     10.81499303     11.75891626    -10.23635750
  H     11.08248914     11.92381989    -11.15749290
  H     16.58840189     13.63057088    -14.11739962
  O     14.55910109      9.34175955    -15.02148603
  H      9.97371212     12.19123787    -10.11191714
  H     15.75360739      8.46737104    -10.15036839
  O     10.74115646      8.93223685    -10.97895672
  H     15.21745433      9.67807109    -14.39773589
  H     16.88055316      9.50340992     -9.93259565
  O     13.69782146      6.90312553    -13.89532903
  H     14.35249921      8.44061158    -14.74306521
  H     14.29731240      7.45857140    -12.20481697
  O     13.38333102     11.79455439     -9.11260630
  H     11.30316813      8.48780898    -10.32700817
  H     14.18960675      8.83315939    -11.50351388
  O     14.91321113     11.59066115    -16.73348994
  H     10.66768230      9.84156943    -10.67719323
  H     14.08725537     14.97150286    -12.82834703
  O     11.31137870      8.06799124    -13.53856165
  H     12.79456882      7.24742576    -13.75668260
  H     14.56949605     14.95398181    -11.35090492
  O     12.61377564      7.81675819     -9.25537258
  H     13.60757230      6.00992549    -14.21461388
  H     17.79970206     11.51987113    -10.85671527
  O     13.96959827     10.67055057    -11.61833155
  H     13.61359075     11.06167431     -8.52539894
  H     18.98811022     10.52807083    -10.89204320
  O     17.28393598     13.17337766    -10.76510731
  H     12.44670621     11.73630593     -9.34559741
  H     14.34668178     13.47377567    -14.26101238
  O     11.80998729     12.02922215    -12.76891136
  H     14.85200182     10.71322501    -16.33356385
  H     12.99984439     13.61003237    -14.99654682
  O     16.07499230     12.93536943    -14.54445254
  H     15.44949014     12.11635650    -16.12399940
  H     14.78841763     14.61533708     -8.89429347
  O     16.22687188      8.96727927     -9.47009056
  H     11.29344143      8.85334646    -14.09693370
  H     14.27340957     13.27168392     -9.44930674
  O     14.47189007      7.91539680    -11.37472428
  H     11.05050410      8.34696822    -12.64754521
  H     16.96521289     10.45206053    -12.52211869
  O     14.66132018     15.41835251    -12.19253079
  H     13.25130464      7.66388422     -9.96681317
  H     15.43868842     10.66085368    -12.57332576
  O     18.04024084     10.58354900    -10.97944477
  H     13.07903088      8.36186286     -8.61259312
  H     13.34041109     12.33912994    -16.76740964
  O     13.43671915     13.78955103    -14.15500916
  H     13.21321818     11.04572382    -12.08422308
  H     12.13899205     13.03852346    -17.45067350
  O     14.78937469     14.06328962     -9.67339285
  H     13.91522624     11.00171943    -10.71425629
  H     15.04992613      9.37770464     -8.27002800
  O     16.22824172     10.57134775    -13.13106663
  H     16.46294254     13.43862234    -10.33396016
  H     14.55486090      9.36134536     -6.80316817
  O     12.45732257     12.72197471    -16.60993368
  H     17.39396786     13.77552288    -11.51091517
  H     16.32116667     15.24599201    -12.70676659
  O     14.30073165      9.60585498     -7.68875563
  H     11.68681709     11.40248651    -13.49573929
  H     17.69737631     15.78069285    -13.17583506
  O     17.22023134     14.98048320    -12.97454403
  H     12.34734692     12.74725662    -13.13059103
  H     12.84179664     10.06042076    -15.00366911
  O     11.94455249     10.42584068    -15.00341325
  H     16.21113626     12.12437226    -14.03228382
  H     11.95096331     11.15502121    -15.63479677
          69
 Energy    -248.47967526864858     
  O     13.83039087      2.76402350    -10.90786036
  H     13.83496847      1.81468955    -10.73357045
  H     17.93032695      5.85067452    -14.72677914
  O     12.12762644      3.22339351    -13.08211274
  H     13.25703758      2.89594509    -11.67753279
  H     14.57969766      6.95033080    -12.42716539
  O     16.50148052      2.98322573    -11.82894277
  H     11.54086756      3.90145395    -12.72756499
  H     14.15210297      5.77627139    -11.50085610
  O     19.06804261      6.37606185    -13.31832965
  H     12.73601754      3.68203480    -13.68160606
  H     12.18421057      5.37154542    -10.65845051
  O     11.81332869      7.43518081    -13.56796896
  H     16.91413013      3.81122585    -11.55406478
  H     13.28116480      4.36537704    -10.19814986
  O     12.97396575      0.56462697    -13.55834786
  H     15.59806324      2.98796289    -11.48287137
  H     15.31174611     -0.25236744    -15.56559630
  O     13.97605416     -0.03741634    -10.92305278
  H     18.50593777      6.08179571    -12.58204643
  H     14.46801147      0.45125926    -14.47593281
  O     17.70958289      8.90127440    -13.60740050
  H     19.96442307      6.13859059    -13.09630996
  H      9.92508204      5.67067350    -11.79257822
  O     16.30153308      9.39940186    -11.26659175
  H     12.05458356      7.23379914    -14.47981305
  H     11.16914616      6.20589495    -12.54071667
  O     14.00105456      4.63083121    -14.50792586
  H     12.53215721      7.98958420    -13.23341145
  H     16.43317237      5.77458892    -11.75594576
  O     15.51346442      7.86190772    -15.21357478
  H     13.16383952      0.26807942    -12.65959290
  H     17.32743234      6.16518801    -10.55862261
  O     17.18256100      5.66802293    -15.30957133
  H     12.52867080      1.41718746    -13.47060802
  H     16.40262818      3.05431870    -13.66465802
  O     14.72871878      6.01365474    -12.23673267
  H     14.86942508     -0.04897407    -11.31215207
  H     16.02059808      2.14463417    -14.85477557
  O     12.99544782      5.28826828    -10.13947420
  H     13.91997981     -0.78454094    -10.33416385
  H     16.61411514      1.11242957    -12.00396030
  O     15.35619838      0.40050102    -14.87220799
  H     17.04665693      8.69958743    -14.27854301
  H     16.17397340      0.15472985    -13.12749461
  O     10.84850063      5.49629839    -11.95420934
  H     18.27596761      8.12221278    -13.55667392
  H     13.36380468      5.88414555    -15.59880381
  O     17.30198501      5.61725244    -11.35329182
  H     16.64163068      8.80170519    -10.59462143
  H     12.74300758      6.39731116    -16.91962586
  O     16.25731956      3.05073304    -14.62207074
  H     16.88934598      9.31024690    -12.03409397
  H     13.85370270      8.18129625     -9.21455728
  O     16.37108918      0.19339644    -12.18341491
  H     14.26213446      5.16463995    -13.74116654
  H     13.79496121      6.64453698     -9.22508985
  O     13.02342735      6.67543265    -16.05145673
  H     14.74756145      4.04711830    -14.69400681
  H     16.05826339      7.36595413     -9.04740053
  O     14.30245203      7.40045573     -8.89334104
  H     16.08032396      7.07593866    -15.27725796
  H     17.44053945      7.65409692     -8.41957880
  O     17.01316364      7.39650618     -9.23233110
  H     14.69622444      7.63056414    -15.66775999
  H     14.86610398      9.03326035    -12.24837230
  O     14.22165487      8.65072791    -12.86275288
  H     16.96681711      4.73645182    -15.18566896
  H     14.68147549      8.51088118    -13.70421309
          69
 Energy    -248.47945149190224     
  O     14.74513539     14.02971353    -15.17743099
  H     14.52956021     13.72764849    -16.06592288
  H     14.86208205     10.99291251    -15.01869276
  O     17.10486550      9.10626244    -16.84856499
  H     15.30179811     13.33421667    -14.79272131
  H     17.09060438     10.87036302    -17.26182643
  O     14.81427064      9.91909805    -11.61999128
  H     16.28683091      8.63915061    -16.63729660
  H     16.19318180     12.10466500    -17.53876831
  O     18.75235950     14.91528065    -14.05510623
  H     17.72444307      8.84009470    -16.15959999
  H     14.12722662     11.76706684    -16.87618338
  O     14.83995139      7.96741170    -15.56185278
  H     14.07023714     10.23227017    -12.15252329
  H     13.66567854     12.38239762    -18.21860164
  O     13.32000327      7.71032998    -10.74991027
  H     15.28468612     10.70619405    -11.31410256
  H     18.84691115     12.21058922    -12.52861933
  O     14.70925080      5.87749169    -12.17111762
  H     19.44566837     15.56443172    -14.15651968
  H     18.71760075     13.72672047    -12.47475793
  O     16.08589817     11.87437831    -14.03559303
  H     18.84194645     14.30131576    -14.79958713
  H     13.40762921     13.73525898    -13.82457893
  O     12.63888407     10.78639951    -13.21050455
  H     14.06393601      7.44743033    -15.30920420
  H     13.41558509     13.95144067    -12.30565029
  O     16.24768024      8.03523286    -13.10343511
  H     15.37701743      8.01847160    -14.75911060
  H     17.80137281      8.25501366    -13.93247716
  O     18.81526749     11.16662225    -14.07249721
  H     12.52442170      7.90365964    -11.26215694
  H     19.17473712      7.67342927    -14.34210957
  O     14.13163146     10.61063593    -15.53079171
  H     13.87948230      8.49455014    -10.84215494
  H     12.24098683      7.19644832    -13.77548342
  O     17.10294808     11.83152170    -17.38503188
  H     14.20672009      6.46167356    -11.57372724
  H     13.41297780      6.21646385    -13.60359558
  O     14.29885435     12.48327833    -17.51296929
  H     14.81399416      5.04486351    -11.71929493
  H     15.25423405     15.20113508    -11.95531079
  O     18.67452559     12.94134876    -11.91775710
  H     17.00696431     11.61361147    -14.14974549
  H     14.61097101     15.50601999    -10.58049975
  O     12.94648165     13.49176605    -13.01145426
  H     15.96760583     12.03631841    -13.09065545
  H     17.01599814     12.55249861    -11.34393369
  O     18.59087183      8.41526682    -14.47783011
  H     13.03508745     10.67865667    -14.08630766
  H     15.60117335     13.16426931    -11.11704939
  O     12.83092044      6.61028512    -14.26517598
  H     12.62437879     11.73970058    -13.03933549
  H     10.37094712      8.58877464    -12.58917979
  O     14.75326801     14.81043246    -11.21630824
  H     15.84522200      7.21339275    -12.79231113
  H     11.70402089      9.32795735    -12.83847982
  O     16.07587047     12.33503436    -11.25248522
  H     15.83424728      8.75190311    -12.60126565
  H     17.00284448     15.49449014    -13.60346082
  O     11.31457735      8.45926438    -12.64009709
  H     19.08384433     11.66364506    -14.85480015
  H     15.56949077     15.29579100    -14.12332193
  O     16.08135657     15.69955301    -13.40779773
  H     18.86144149     10.22262357    -14.26625322
  H     18.36395327     12.67071946    -16.62103451
  O     19.13133867     13.05480731    -16.15645586
  H     14.31735509      9.66800028    -15.63647784
  H     19.82929745     13.12022526    -16.80301011
          69
 Energy    -248.47926610352084     
  O     10.72456722      8.41387725    -14.16896994
  H     10.90626700      9.31463889    -13.87577961
  H     15.08790883      5.53242705    -16.30163977
  O     16.33588559      6.43494805    -13.62179220
  H     10.74697580      7.84681185    -13.38831911
  H     18.83866173      8.34814070    -13.45198911
  O     16.07538231     10.48070563    -11.83615637
  H     16.90749181      7.06110254    -13.15952951
  H     19.50567078      7.41502754    -14.47339314
  O     15.90383672     10.72554283    -14.60387745
  H     15.80479540      6.01015563    -12.93403489
  H     14.24234238     11.40928986    -15.19786659
  O     13.27889388      4.98141085    -15.93457647
  H     16.17849891     10.76105775    -12.75486080
  H     13.29795034     10.88936170    -16.29279575
  O     15.21728421      7.92244461     -8.69529722
  H     15.14223782     10.22759553    -11.76195210
  H     13.79249952      8.06793018    -14.88927562
  O     14.89067440      5.55008786    -11.43440230
  H     15.41471752      9.88809565    -14.56559468
  H     15.07101990      7.65190903    -14.09923467
  O     13.45644526      9.65312636    -12.05181725
  H     16.65724062     10.57397330    -15.18609164
  H     10.11669351      5.98746670    -11.78961055
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  H     12.92984219      5.88406172    -16.04383585
  H     11.49740417      5.85886939    -12.47364522
  O     17.11543275      6.45184529     -9.88573499
  H     12.80115967      4.42680593    -16.54671771
  H     12.98606689      4.80629280    -14.06383892
  O     18.06201918      9.92000865    -16.21904287
  H     15.42978247      8.86604359     -8.73161026
  H     13.52996703      4.86830096    -12.60804792
  O     15.93728248      5.98681874    -16.34931055
  H     14.37043517      7.79932080     -9.14138672
  H     17.63416307      7.65635506    -11.22480550
  O     19.24056035      8.32235359    -14.33406560
  H     15.67233690      5.65209882    -10.87819328
  H     17.20024517      9.00425923    -11.87816129
  O     13.32740413     11.44737995    -15.50583928
  H     14.25089122      6.19947643    -11.10636382
  H     16.05051523     11.45462844     -8.69728388
  O     14.44023182      8.36812963    -14.24182341
  H     13.75981627      9.13788655    -12.81797217
  H     16.13837947     10.66920801    -10.01414573
  O     10.88945829      6.48665207    -12.04175939
  H     12.76234020     10.23567627    -12.38105266
  H     13.27451892      9.82480394    -18.61138423
  O     12.72343596      4.82079579    -13.13583576
  H     16.65808517      8.97553369    -17.13530548
  H     14.33689373      9.24497281    -17.64605404
  O     17.76062351      8.22526989    -11.99495004
  H     15.92070153      7.61464713    -17.14609467
  H     12.22229377      7.10210881    -10.84085305
  O     16.00880746     10.57265177     -9.05846968
  H     17.66207643      6.00762936     -9.24361910
  H     13.19347210      8.28604807    -10.95415774
  O     13.43569905      9.61621950    -17.69532153
  H     16.46500669      6.97990124     -9.38523063
  H     12.14980653     11.25128263    -14.23967475
  O     13.04628747      7.45226940    -10.48209479
  H     18.50845219      9.34990534    -15.57029231
  H     10.99998126     11.85919925    -13.40158651
  O     11.54219137     11.08119462    -13.49677212
  H     18.74604830     10.41339122    -16.66464319
  H     11.75627259      7.86788288    -15.47102417
  O     12.45055058      7.56017882    -16.07551577
  H     16.23101635      6.05946778    -15.43106134
  H     12.65478633      8.26297660    -16.70417804
          69
 Energy    -248.47922218726043     
  O      1.68006893      0.50076234      3.60331118
  H      1.03361945      1.17062484      3.32108075
  H     -3.99910054     -1.13144407      4.76416073
  O     -2.90732241     -0.47670355     -3.07791067
  H      2.45686286      0.97392119      3.89124735
  H     -2.72410072      0.78750240      5.63545466
  O     -0.08571829     -0.73938141      5.51831627
  H     -2.33514474      0.17225098     -2.63691957
  H     -2.02707560      2.12769100      5.39436754
  O     -4.44023606     -1.27301656     -0.79767855
  H     -3.09305992     -0.13250153     -3.94792202
  H     -0.25671626      4.00863255     -0.23430019
  O     -1.31512164     -2.63268540     -1.99204326
  H      0.57793012     -0.37963314      4.92049646
  H     -0.49279607      2.52184550     -0.52648361
  O      0.72468809     -0.80665868     -1.15671537
  H     -0.68838523     -0.01007076      5.72556978
  H     -3.75962942      0.22273967      0.02017141
  O     -4.29117249      2.65767913      2.36344844
  H     -4.08470344     -1.05679515     -1.66744020
  H     -2.81016012      0.53895532      1.20458461
  O     -3.85995016     -2.88625877      4.69606935
  H     -3.85551078     -1.94748751     -0.42011434
  H     -2.66993003     -0.02489894      3.39919303
  O     -0.28451568      2.18252025      2.73572584
  H     -1.85372990     -2.02661366     -2.51406635
  H     -1.40748632      0.68513007      2.79328713
  O     -1.26297203      1.13127897     -1.49560065
  H     -0.55177591     -2.11407454     -1.70686994
  H     -2.21934943     -3.18251673     -0.53345463
  O     -6.19246285      0.71232007      3.21655270
  H      1.55284644     -0.78447267     -1.62952766
  H     -2.09167730     -3.03218156      1.00627104
  O     -3.95521929     -0.16546318      4.69248957
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  H      1.50922618     -0.70654222      2.15103732
  O     -1.94222334      1.30341866      5.88393639
  H     -5.00781651      2.09396995      2.68019304
  H      0.55015089     -1.84817409      1.75358343
  O     -0.14740423      3.13605373      0.13726681
  H     -3.95012445      2.21340069      1.57641943
  H     -3.06161146      3.23976637      3.46295957
  O     -3.21601922      0.91885789      0.40964039
  H     -4.09453740     -3.28485297      3.84971562
  H     -2.54008498      4.41561169      4.31957139
  O     -2.03875853     -0.03373303      2.66633507
  H     -2.93021312     -3.09239479      4.85681301
  H     -0.70870790     -2.32703758      5.27573401
  O     -2.71997487     -3.22412817      0.29369327
  H     -0.91007782      2.74173333      3.21503953
  H     -0.61213433     -3.82500795      5.64863988
  O      1.27043220     -1.29288486      1.42437022
  H     -0.21321199      2.52505449      1.83346349
  H     -1.39313542     -1.65050343      2.46167882
  O     -2.33261454      3.52781085      4.04123174
  H     -0.57670358      0.46847376     -1.32835409
  H     -0.98990193     -2.93163153      3.23332247
  O     -1.04941873     -3.21556939      5.06089820
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  H     -3.99505162     -3.73335935      1.44177080
  O     -1.03722245     -2.54761462      2.34989543
  H     -6.16176219     -0.03458227      2.59209511
  H     -5.04746547     -4.73417178      1.96324839
  O     -4.67612670     -3.86916658      2.12091092
  H     -7.10072815      0.79902295      3.49336581
  H     -5.67694921     -2.24555334      1.84376272
  O     -6.02121066     -1.40161067      1.52824814
  H     -4.77411209      0.14032817      4.28736214
  H     -5.66260365     -1.29952840      0.63752699
          69
 Energy    -248.47920980967780     
  O      2.62442110     -1.08901590     -3.16964137
  H      2.04965019     -1.18046194     -3.94076438
  H      0.10681306     -1.20155745     -0.13172030
  O     -1.35189587     -1.89768039     -1.04444444
  H      2.34816310     -0.26971793     -2.74015267
  H     -5.90366747     -3.13619868     -4.79754617
  O     -3.41046105      0.95852514     -4.00411430
  H     -2.30674245     -1.99670794     -1.14118423
  H     -5.79417222     -2.16069226     -5.97215297
  O     -5.72840524     -0.47621312     -3.04569202
  H     -0.94608074     -2.73428402     -1.31670903
  H     -0.17377704      0.55345994     -2.65765077
  O     -2.92810465     -0.54006652     -6.19082597
  H     -2.59368675      0.70060503     -3.55419217
  H     -1.07716771     -0.66503003     -2.37938491
  O      1.39249176      1.07214236     -1.73420822
  H     -4.14855110      0.53610782     -3.54925760
  H     -5.09684539     -5.08790055     -0.73781752
  O     -4.80358432     -2.06684572     -7.59371261
  H     -5.91463320     -1.07285320     -3.79333715
  H     -4.38352693     -3.96021049     -1.52031779
  O      0.56600156     -1.23762289     -5.08450041
  H     -6.54401467     -0.02500238     -2.84541621
  H     -0.59734648     -6.15115944     -7.21784915
  O     -2.75008942     -6.42328759     -4.95693526
  H     -3.71476850     -0.86636976     -6.64346731
  H     -1.66703646     -5.85401517     -6.13774947
  O     -2.78049260     -2.76576873     -4.35379473
  H     -3.17942282      0.08715504     -5.49705256
  H      3.33407719     -3.37800425     -1.07263949
  O     -2.05525864     -6.13136885     -2.28708567
  H      1.27888560      0.43871367     -1.00200253
  H      2.57842769     -2.37141249     -1.97155397
  O      1.00620941     -0.91216474      0.07956753
  H      1.68647862      1.89199272     -1.34741205
  H     -4.62560663     -1.61950831     -2.11151085
  O     -6.14394738     -2.24216489     -5.07723079
  H     -5.25377202     -2.02002858     -8.43319029
  H     -3.48207427     -2.43666861     -2.74736382
  O     -0.89628265      0.03022277     -3.02787383
  H     -3.99453576     -2.58840473     -7.74332956
  H     -4.13009257     -4.02761183     -4.43296893
  O     -4.55896452     -4.91586083     -1.50644913
  H     -0.01734383     -0.77057276     -4.46803982
  H     -4.91431991     -4.86353559     -3.39757957
  O     -1.03467179     -5.44112087     -6.75623758
  H      0.25383075     -1.06755100     -5.98123056
  H      0.86541649     -3.91259112     -1.62343618
  O      2.47110721     -3.01070908     -1.24445460
  H     -3.61037346     -5.99168199     -4.91266906
  H     -0.03234141     -4.12117574     -2.87196076
  O     -3.94271321     -2.26974349     -1.90815034
  H     -2.41928193     -6.42675968     -4.04582865
  H     -0.34185998     -4.37434465     -5.40170089
  O     -4.88277216     -4.63263986     -4.33460084
  H     -1.91490771     -3.18766431     -4.42011107
  H      0.16855981     -2.97965581     -4.87163521
  O     -0.02066369     -4.17338613     -1.90321900
  H     -2.79991866     -2.03549218     -4.98247404
  H     -1.48486553     -0.69974907     -7.10054018
  O     -0.20664513     -3.83375476     -4.61423164
  H     -2.86429883     -5.76921115     -1.90709180
  H     -0.53932964     -0.27508813     -8.25337800
  O     -0.67219883     -0.94140530     -7.58379554
  H     -1.33868725     -5.54450642     -2.01578996
  H     -1.70013886     -2.58184661     -7.96339758
  O     -2.37632117     -3.26877382     -7.98937973
  H      1.57572496     -1.64494652     -0.18532866
  H     -1.96814940     -4.05606597     -7.60856995
          69
 Energy    -248.47916204025387     
  O     12.21236293     11.68171268    -15.65161322
  H     12.86771018     11.85593281    -14.96846673
  H     15.40901342      6.21613173    -18.43581707
  O     15.59370560      7.42844316    -13.35135646
  H     11.47379058     11.26074198    -15.19228095
  H     18.55206631     10.47376241    -12.66333411
  O     15.89915459     11.55267849    -11.22287777
  H     15.38101548      8.17691808    -13.93213101
  H     17.96419876      9.15725191    -12.11241869
  O     16.53071738     12.71720078    -14.55714497
  H     15.97370263      7.81466723    -12.55167230
  H     16.65399753     10.39228013    -17.19957723
  O     13.07894252      8.18924410    -16.69164822
  H     15.27147185     11.61238271    -11.95471557
  H     17.73079883     10.02003079    -16.11454138
  O     12.68969932     10.14288674     -9.34376130
  H     16.74353739     11.88978993    -11.54860494
  H     14.23025838      9.09931965    -15.56488312
  O     12.99818360      7.45895836    -12.36450167
  H     15.63398085     12.54348664    -14.25248153
  H     15.61462921      9.83945142    -15.50205903
  O     14.09583684     11.56639475    -13.40741043
  H     16.71520913     12.07459075    -15.25869040
  H     10.90039390     10.32791046    -13.21818802
  O     16.92198148      6.74828127    -15.72836559
  H     12.89915775      8.95136662    -17.25844648
  H      9.44855424     10.57170912    -13.68817513
  O     14.06035966      7.63715516     -9.82387326
  H     13.75890276      7.66016984    -17.12999766
  H     11.89797257      7.78215839    -15.32283566
  O     18.89045488      8.76821560    -15.35757292
  H     13.15835131      9.30019120     -9.32556535
  H     10.87032160      8.53298664    -14.45442830
  O     15.30180797      6.98353198    -17.88048302
  H     13.31982603     10.80815073     -9.03256524
  H     17.69752910     12.53874191    -13.29272552
  O     18.56864287      9.51449199    -12.77283614
  H     13.87434058      7.32959331    -12.75396963
  H     18.88271827     13.04629582    -12.43206325
  O     17.01948804     10.63425025    -16.33488928
  H     12.35679736      7.39224262    -13.08744947
  H     16.18743576      9.72909852    -11.04344015
  O     14.87600493      9.50689713    -14.97464840
  H     13.38390349     11.21010888    -12.85629060
  H     15.70839901      8.37464840    -10.48180966
  O     10.32316123     10.35420808    -14.00104755
  H     14.40608248     10.81810058    -13.94538641
  H     15.16463645     11.90411194     -9.59470792
  O     11.35094683      7.70087720    -14.52939424
  H     17.66054288      7.36535405    -15.65712872
  H     14.83693576     12.88716174     -8.45912842
  O     18.25261364     12.33646029    -12.51712512
  H     16.48703950      6.76847114    -14.86559444
  H     14.73595033     10.12469468    -18.43602339
  O     16.38738211      8.78268644    -11.03299814
  H     13.59668021      7.49465864    -10.66651088
  H     15.55020635      8.81139982    -18.41345484
  O     14.67887993     11.99590327     -8.76023407
  H     13.94963996      6.83762399     -9.31461668
  H     12.25159916     10.26052074    -11.04721211
  O     15.63021649      9.76885253    -18.50990148
  H     18.79091755      8.99216008    -14.41461349
  H     12.48837598      9.23861149    -12.18672533
  O     12.18905215     10.14036547    -12.00637795
  H     19.82457900      8.66001918    -15.51612936
  H     12.67863651     11.07432865    -17.22635073
  O     12.90746700     10.62537619    -18.05950040
  H     15.89902930      6.86438927    -17.12005833
  H     12.36406668     11.01777203    -18.73795222
          69
 Energy    -248.47914551932840     
  O     18.28408007      8.92087399    -10.52783410
  H     17.34648195      9.13150725    -10.42326522
  H     16.23204244     11.20175278    -10.76502457
  O     15.62841953      7.92344063     -8.06144636
  H     18.49698856      8.15737734     -9.97613866
  H     19.33911774     11.46924330     -9.02335107
  O     20.22270413      3.16402500    -11.35361547
  H     15.01213850      7.77273994     -7.34932037
  H     19.36307114     10.20516904     -9.90508666
  O     20.69218097      7.12447656    -13.09515292
  H     16.35196378      8.46252882     -7.69321192
  H     18.29706255      9.55728464    -13.48815030
  O     17.59957801      9.56652865     -7.16654970
  H     20.47233147      2.27711052    -11.10987126
  H     18.41129127      8.70353378    -12.22646307
  O     17.13522684      4.31599260    -13.81280832
  H     19.26813856      3.24861561    -11.17765486
  H     20.21027978      5.41722954    -13.72199464
  O     22.59482267      8.97278435    -12.13226873
  H     21.39900595      7.75205827    -12.89693173
  H     20.10580606      4.00793755    -13.09192804
  O     22.40420223      7.94970725     -9.61699544
  H     19.89052388      7.64765445    -13.23351528
  H     17.14154962      4.24974610    -10.55601265
  O     20.38283201      8.76178637     -7.63793972
  H     17.59504313     10.47082771     -7.50426856
  H     17.28029425      3.70577894    -11.99107571
  O     19.02936189      6.72643049     -9.00847722
  H     18.52549105      9.30424569     -7.11288205
  H     15.40869447      9.06551689     -9.51912331
  O     17.74276114     12.19861567     -8.35660708
  H     18.10064721      4.40679592    -13.90942649
  H     14.97811372      9.15524349    -11.01276525
  O     16.78772955     11.98443613    -10.89161397
  H     16.83067804      3.79882660    -14.55327967
  H     14.84121142      7.63917164    -12.50179103
  O     19.93705554     10.85414076     -9.46505932
  H     22.56114714      8.68706758    -11.20170819
  H     13.55896193      8.30206972    -13.03991665
  O     18.35638854      8.64112805    -13.19605480
  H     23.51816563      9.06399074    -12.35410439
  H     21.45156310     10.49431239    -12.19225998
  O     19.83039150      4.53801698    -13.85027938
  H     21.91560829      8.23892197     -8.83940646
  H     20.63156275     11.23275646    -11.12445789
  O     17.54824087      3.54639886    -11.07724659
  H     22.04490906      7.08378151     -9.85518721
  H     17.04566308      7.39161219    -12.94036792
  O     15.55637376      9.54672753    -10.34222601
  H     19.91516837      8.01478753     -8.04218812
  H     16.58433970      5.91409338    -13.11800756
  O     14.11162809      8.23524938    -12.26578985
  H     20.32030634      9.51236241     -8.24802686
  H     18.44336985     12.15398345    -13.94017103
  O     20.81981458     11.21253320    -12.07349803
  H     19.70915631      6.31525120     -9.56175129
  H     19.29439683     11.41476668    -12.88308328
  O     16.38683290      6.74094587    -12.66042064
  H     18.18847223      6.30459455     -9.22565636
  H     16.09891296      6.54782873     -9.30991749
  O     18.40434947     11.46928370    -13.27743394
  H     17.37795838     12.19724324     -9.26001193
  H     16.44196887      6.29972995    -10.81178592
  O     16.52755858      5.93477585     -9.91984516
  H     17.54982809     13.05420223     -7.98326856
  H     20.84753426      4.81078577    -10.82778264
  O     20.99348253      5.75099520    -10.66781397
  H     17.29722375     11.83168679    -11.69517631
  H     20.85407165      6.20626988    -11.51057096
          69
 Ord_Energy   -248.478760    
 O   -7.72289944      -4.51217747      -1.23324072    
 H   -8.30746174      -4.06143951      -1.83894992    
 H   -8.30266285      -5.01350737     -0.637426913    
 O   -9.51350689      -1.99115527       6.86176252    
 H   -8.67359161      -2.34447789       6.51946354    
 H   -9.68569946      -2.43629360       7.68765116    
 O   -8.23961163      -2.51768231       1.64163888    
 H   -7.45597506      -2.82064724       1.16838276    
 H   -7.92999744      -1.93568766       2.35111952    
 O   -4.78261566     -0.229528338       2.62501264    
 H   -4.84159422     -0.371707082       1.67272472    
 H   -4.22331238     -0.919606626       3.00452495    
 O   -5.85878801      -3.28752542      0.368848234    
 H   -5.63633537      -2.39947128       6.21781684E-02
 H   -6.39147663      -3.73347616     -0.306941092    
 O   -8.73843956      0.752287388       6.51583815    
 H   -7.77879381      0.790635407       6.61920834    
 H   -9.01451683     -0.147675946       6.72692108    
 O   -10.8533316      -2.44249582       4.35009289    
 H   -10.4632568      -2.32099628       5.22342539    
 H   -10.4531412      -3.23220992       3.96572638    
 O   -5.11721468      -4.23656559       2.87037253    
 H   -5.30752611      -3.95422578       1.96473956    
 H   -4.50139809      -3.59508801       3.24141502    
 O   -5.27267504     -0.578194439     -0.136641324    
 H   -6.06792641      -2.35867798E-02  -2.35788301E-02
 H   -4.77451658     -0.198783487     -0.855448425    
 O   -3.42698932      -2.23145151       4.02081585    
 H   -3.86867905      -1.98739505       4.85473680    
 H   -2.50581050      -2.36736417       4.22544432    
 O   -7.23373890      -2.81716728       5.65981340    
 H   -7.17498159      -3.69849634       5.27192974    
 H   -7.25302839      -2.17219400       4.93370152    
 O   -5.88818741       1.07840133       6.57029867    
 H   -5.73598862       1.46000421       5.68716812    
 H   -5.53069258       1.70153868       7.19842768    
 O   -9.77869892     -0.457240403      0.575486124    
 H   -10.4153156     -0.308012962       1.28311002    
 H   -9.30841732      -1.26434040      0.829937875    
 O   -4.81590652      -1.53738129       6.23444033    
 H   -5.61951160      -2.07247496       6.18402433    
 H   -5.11726665     -0.634073257       6.39217377    
 O   -7.06575680      -5.29268980       4.36571741    
 H   -6.79271412      -6.15480900       4.66636419    
 H   -6.35256004      -4.95754099       3.78967094    
 O   -11.3748779     -0.183011517       2.96091199    
 H   -11.2214069      -1.01958966       3.43609262    
 H   -12.3118286      -1.27449697E-02   3.00503683    
 O   -5.44123745       2.04886889       4.07485437    
 H   -5.06975937       1.33272517       3.54098272    
 H   -6.11500597       2.46147871       3.52163720    
 O   -7.41471291      0.962783694      0.303806603    
 H   -7.42852545       1.66921914      0.958065569    
 H   -8.28300953      0.534866095      0.338198334    
 O   -9.43115807      -4.53016281       3.01233506    
 H   -9.06391048      -3.79400301       2.49318099    
 H   -8.69058228      -4.89228725       3.51479292    
 O   -9.42393780      -5.84824419      0.526404858    
 H   -10.0572281      -6.56119585      0.492620021    
 H   -9.51203728      -5.45777178       1.40837359    
 O   -9.13378906       1.20766211       3.87521219    
 H   -9.95171452      0.793183863       3.57396770    
 H   -9.08873272       1.13861609       4.84161282    
 O   -7.29576969     -0.929790556       3.65883183    
 H   -6.44270515     -0.624229908       3.32402658    
 H   -7.88582277     -0.169330716       3.72839785    
 O   -7.59775782       2.89544201       2.42245245    
 H   -8.20857716       2.34407544       2.94397998    
 H   -8.01361942       3.74806690       2.32382274    
          69
 Energy    -248.47869553086875     
  O      9.26820326     11.36666030    -11.33415917
  H      8.31923477     11.46875660    -11.30649048
  H     10.10129199      9.90165884    -10.41231512
  O     13.67885868     10.55898085    -17.77207452
  H      9.51061617     11.32567421    -12.27391336
  H     11.92799898     13.19143796    -12.14903431
  O     12.13546571      8.22155642    -12.11004687
  H     13.55362865     11.50308697    -17.60972547
  H     11.53286832     12.34027247    -13.38680488
  O     14.39705674     10.05515291    -15.16369298
  H     12.79340138     10.17396145    -17.78108800
  H     16.54530993     11.43554965    -12.19225201
  O     13.10732678     11.91024889     -9.27593545
  H     12.84422659      7.64744191    -11.79766368
  H     15.33633557     10.52683169    -11.88406853
  O     13.27579078     13.23447823    -16.81078138
  H     11.53234900      8.41204244    -11.37452559
  H     15.24438774      8.71174003    -14.13122941
  O     11.82942766      9.14198953    -14.64497619
  H     14.28902270     10.13455645    -16.12308777
  H     16.14646094      8.96647958    -12.93211973
  O     14.52843123      8.49837582     -8.97268088
  H     14.55036873     10.94623487    -14.82763243
  H     14.95439569      7.34377752    -12.13215966
  O     13.55833989     10.63897127    -11.72521503
  H     12.80790876     11.25098093     -8.63921041
  H     14.73678455      5.99656704    -11.40405894
  O     12.30089232      9.60481549     -7.90037446
  H     13.28793812     11.41660942    -10.09051790
  H     10.68430962     10.47635236    -14.12447906
  O     16.43882817     13.32420869    -12.27688464
  H     13.79375975     13.15181319    -15.99408759
  H     10.12430844     11.73625405    -14.81261851
  O     10.54746909      9.10278231    -10.10600860
  H     13.50186398     14.08059864    -17.19031320
  H     14.77305805     12.73734066     -9.44639255
  O     12.27248867     12.79172171    -12.96093030
  H     12.72567108      9.47436195    -14.80183286
  H     16.15358393     12.08872691     -9.37576905
  O     16.30614416     10.53222331    -11.95613283
  H     11.85621741      8.67241063    -13.79938434
  H     13.73153797     12.90288781    -13.89403490
  O     15.70181828      8.25512236    -13.41345501
  H     15.30813981      9.06589436     -9.00434373
  H     15.26240437     13.05410813    -13.76121104
  O     14.51128107      6.92270144    -11.37343399
  H     14.55670810      7.94264429     -9.76047660
  H     11.42742548     12.67100970    -16.59201884
  O     10.16747969     11.27754913    -13.96016662
  H     13.10379491     11.34907602    -12.19750497
  H     10.63967293     11.38379938    -16.89291861
  O     15.70097875     12.88640539     -9.67352692
  H     13.06310194      9.82301728    -11.86630012
  H     16.71965365     10.26024629    -10.25507244
  O     14.56662400     12.81760593    -14.38373386
  H     12.19588825      9.30890157     -7.00040420
  H     17.70126051      9.95982575     -9.09819098
  O     10.56404881     12.25496024    -16.48200361
  H     13.09150117      9.15661713     -8.25349097
  H     11.77152171     13.00422588     -9.98034540
  O     16.80113643     10.21454965     -9.28666613
  H     16.12652036     13.25897946    -11.35633308
  H     10.42410733     12.78646158    -10.70097399
  O     11.13232750     13.42942503    -10.56914638
  H     17.11965598     13.99220670    -12.28264791
  H     10.51860383      8.83119314    -17.62915078
  O     11.04664367      9.53587420    -17.26275612
  H     11.04241359      9.33189176     -9.31007752
  H     11.25706552      9.28064662    -16.34862477
          69
 Energy    -248.47865920808027     
  O     17.77644466     11.93715629    -18.08387968
  H     17.98393068     11.27239205    -18.73667141
  H     14.98515061     13.17770190    -11.83005745
  O     19.24321233     17.48656062    -14.58719862
  H     18.60914544     12.39093241    -17.87507075
  H     20.42248652     16.21421821    -13.96091288
  O     16.09462317     15.96062055    -12.10842759
  H     19.23317005     18.17465491    -13.91038534
  H     20.68938296     14.82245999    -13.29169104
  O     14.76653810     15.55986914    -16.55797387
  H     18.34565163     17.13269839    -14.66128521
  H     17.40480549     15.00159550    -11.24996786
  O     16.29119272     12.29686008    -11.15211447
  H     15.38848113     15.30235564    -12.09810193
  H     18.53957951     15.06044885    -10.19479921
  O     14.59998221     13.15714995    -14.98338047
  H     16.33259710     16.09161146    -13.03700325
  H     15.92508812     12.04352533    -15.30691219
  O     22.06056607     14.87922788    -16.13321991
  H     14.03641369     15.97375028    -17.00990727
  H     16.97472517     11.53969550    -16.35906526
  O     17.47320421     18.03894841    -10.79734391
  H     15.34761096     15.18523260    -17.24463689
  H     20.01049849     17.35119873    -16.23955787
  O     19.65522706     13.42926026    -12.81013603
  H     16.91893073     12.95010079    -10.81809424
  H     21.11519069     16.44794774    -16.82204904
  O     16.48952040     14.51653051    -18.36657715
  H     16.80683674     11.71374490    -11.72734718
  H     21.27715080     16.69754086    -12.08416082
  O     19.89221363     13.63661164    -17.45296934
  H     14.45733443     13.38557046    -14.05617372
  H     20.61163574     18.04236918    -11.72652720
  O     14.31623181     13.77541240    -12.21410992
  H     14.56131063     13.98103613    -15.48198990
  H     19.24061190     20.18872662    -12.31662871
  O     21.11758055     15.60606093    -13.66809610
  H     23.00440195     14.74173965    -16.12866431
  H     18.57062010     18.87288089    -11.84956077
  O     18.06146701     14.46477690    -10.78326258
  H     21.80805333     15.09767474    -15.21968247
  H     20.08246561     16.73167600    -10.02689357
  O     16.77599767     11.58727611    -15.41781962
  H     16.87387425     17.39694588    -11.20112626
  H     19.82882479     16.53367951     -8.51288785
  O     20.43061473     17.08070374    -17.06824147
  H     18.02336664     17.54407004    -10.17729738
  H     17.60072404     11.05665131    -13.80124665
  O     21.09157370     17.29433676    -11.34907716
  H     19.12786480     13.74622445    -12.06214657
  H     18.71688773     11.62383212    -12.89126829
  O     19.26741066     19.24192229    -12.42242492
  H     19.13423885     13.59238655    -13.61122710
  H     18.83866147     13.86917884    -15.92089144
  O     19.41279204     16.47437592     -9.36839925
  H     17.26777670     15.04420631    -18.58618988
  H     17.70191273     13.10516282    -15.18658168
  O     17.99474989     10.98633612    -12.92129135
  H     16.78944386     13.60158342    -18.32296484
  H     19.15939999     16.18096216    -19.79395486
  O     18.26222807     13.89370540    -15.14902719
  H     20.71093132     13.92369118    -17.02867073
  H     19.42273131     16.38721768    -18.28425337
  O     18.94583569     15.83591338    -18.93091125
  H     19.61397811     14.35930626    -18.03350802
  H     16.06991465     16.13342503    -15.37056144
  O     16.82561379     16.18121444    -14.77353525
  H     13.50254494     13.61103461    -11.74510018
  H     17.31797970     15.35317844    -14.89402667
          69
 Energy    -248.47862922243638     
  O     12.08320012     10.60619733    -14.45305117
  H     12.30119848      9.83252475    -14.98988583
  H     16.45624942     11.03950886    -17.02694818
  O     16.26670869      6.47436658    -12.95991043
  H     12.66872832     11.31020113    -14.75597732
  H     15.71088227      7.91150204    -13.94334039
  O     17.88132891     10.78107416    -12.01379725
  H     15.76784747      6.33933701    -12.14587659
  H     16.00516811      8.28555321    -15.40965541
  O     18.30053560     10.99678560    -16.69361039
  H     17.08257057      6.93547943    -12.71729508
  H     11.90988611     10.07695669    -12.80640983
  O     12.48349184      5.88480185    -14.63263513
  H     17.58549290     10.83773325    -11.09811971
  H     10.98897432      9.95866356    -11.57093001
  O     15.59897941     11.10579882    -13.49327010
  H     17.10650700     10.97885470    -12.56301805
  H     17.64192010      7.81585491    -10.47161914
  O     16.39574991      7.22282288    -16.92532294
  H     18.83303841     11.57907169    -17.23123723
  H     16.87506944      8.78662525     -9.54981980
  O     14.88164713      6.35396134    -10.49151031
  H     18.69112765     11.01822842    -15.80220822
  H     13.42829053      6.86967303    -11.56315373
  O     18.94524342      8.20704549    -16.59554939
  H     12.56819223      6.26639954    -13.73891003
  H     12.44020431      7.95295293    -12.06808139
  O     15.23478385      5.31832306    -15.31690360
  H     11.76639580      5.25813416    -14.59663440
  H     19.06540178     10.96556851    -13.44177125
  O     20.31400990      8.07767312    -14.27451263
  H     15.11162578     11.69814751    -14.07558435
  H     19.94142295      9.97699820    -14.23264567
  O     15.51199315     11.14345763    -17.20225340
  H     15.60319635     10.23391439    -13.91823402
  H     18.22509169      8.97120785    -12.16291126
  O     15.58441180      8.60767204    -14.60228068
  H     15.98717795      6.47022762    -16.46922083
  H     19.14097389      7.93535742    -12.85087861
  O     11.85126852      9.72093830    -11.90158338
  H     15.73821556      7.61034901    -17.51356477
  H     16.49757620     11.23018961     -8.75719678
  O     17.00977941      7.84988391     -9.74205421
  H     15.59687522      6.92069002    -10.15217085
  H     15.71320035     10.66810124     -9.96917785
  O     12.74450824      7.04982002    -12.21915969
  H     14.83755288      5.59896939     -9.91003739
  H     13.77660405      8.58086900    -17.40819722
  O     19.54257121     10.85475247    -14.27437799
  H     18.74983491      9.13937647    -16.74784954
  H     13.77701602      8.60850997    -18.95568683
  O     18.43701458      8.02752314    -12.19680579
  H     18.11918739      7.73653870    -16.77392764
  H     13.47171656     10.37303811    -11.18181082
  O     16.56635759     10.63361891     -9.49707207
  H     14.29053938      5.40551028    -15.14249547
  H     14.72904584     10.89901148    -11.89117265
  O     14.33873433      8.70964190    -18.19170507
  H     15.67149406      5.56198451    -14.48834894
  H     13.95718755     13.38637452    -15.64107532
  O     14.35114700     10.72852055    -11.01702604
  H     19.83095732      8.03752411    -15.12024006
  H     14.54230732     12.02427178    -16.08718263
  O     14.03736365     12.47224412    -15.38360436
  H     21.16482058      7.67538077    -14.42533800
  H     12.74981580      7.48828254    -15.49618994
  O     13.08407441      8.34714719    -15.78383607
  H     15.20369947     10.33639510    -17.62847501
  H     13.91663777      8.48185281    -15.30434460
          69
 Energy    -248.47848152676602     
  O     14.16903044     11.98708166    -14.78707762
  H     15.09320478     12.17729295    -14.60308543
  H     13.42442467      6.77957570    -16.66390293
  O     15.08916749      6.19262505    -14.01602711
  H     14.16269646     11.37022814    -15.53415017
  H     19.96261723      5.89367947    -14.62354031
  O     18.19389619      8.41370118    -11.31124550
  H     14.74627393      6.07623582    -14.91612823
  H     18.76170406      6.37055576    -13.77723393
  O     19.06895797     10.98919594    -15.12462979
  H     14.35864124      6.40130898    -13.41835917
  H     16.65441759      8.65937525    -15.16386224
  O     12.05288020      8.12278670    -16.65627603
  H     17.88615013      7.61333026    -11.76109252
  H     15.53965627      7.87316194    -14.42008520
  O     14.41181560      8.13799056     -8.87392806
  H     18.95410787      8.73981593    -11.81410493
  H     11.64874883     11.77300573    -12.90489151
  O     13.21912243      7.07102852    -12.16118631
  H     19.59275750     11.61380830    -15.62225995
  H     12.96871265     11.44045200    -13.63783676
  O     16.34608591     10.17003866    -12.37004481
  H     18.33181295     11.48975662    -14.74280492
  H     15.60283527      5.33690483    -10.05038057
  O     15.99894914      7.99056544    -17.95188880
  H     11.22222905      8.04725542    -17.11750782
  H     16.82936711      6.10935707     -9.54436401
  O     13.72044400      5.67463466     -9.77017511
  H     11.84279141      8.22562324    -15.71060973
  H     12.05410595      7.89121185    -13.38596284
  O     18.17070811      8.49422610    -16.13960912
  H     14.19311847      8.76724086     -9.57448752
  H     11.79768350      9.38330833    -13.69262060
  O     14.23516168      6.26310869    -16.58563999
  H     15.37293591      8.14881158     -8.78089910
  H     20.04234912      8.30258519    -13.59322589
  O     19.44493846      6.66434592    -14.40383731
  H     13.27825133      6.47561156    -11.40413435
  H     19.83303519      9.82103296    -13.75842268
  O     15.86374563      8.76230643    -14.61748729
  H     13.48974384      7.94294015    -11.83928665
  H     16.63481679      6.04314951    -13.16336578
  O     12.30977387     11.09370163    -13.01085876
  H     17.01073433      9.63999066    -11.91233832
  H     17.21163409      5.67266814    -11.77047833
  O     16.56424875      5.38335634    -10.12137079
  H     16.11701369      9.68561622    -13.18183335
  H     17.90667841      8.02326451     -8.12282280
  O     11.63175754      8.48952525    -14.01541357
  H     16.83777539      8.12633486    -17.49448016
  H     17.65568408      8.13832277     -9.64299788
  O     20.10449268      9.14632946    -13.12573968
  H     15.45435136      8.75525108    -17.72739977
  H     14.77345113      9.87382450    -11.54317012
  O     17.44331840      6.05459521    -12.62970826
  H     13.90955970      6.53982027     -9.36200612
  H     13.26996044     10.18061144    -11.70417322
  O     17.25206373      7.87154438     -8.79997130
  H     13.16233829      5.19722634     -9.16223767
  H     16.73745996     11.63452306    -13.23094908
  O     13.89629708      9.63583765    -11.21149942
  H     18.64777443      7.82016025    -15.63778560
  H     17.01457041     13.15163839    -13.35834066
  O     16.95858451     12.34270896    -13.86213964
  H     18.54309009      9.35153403    -15.89704407
  H     13.45532404      9.35885778    -16.71659566
  O     14.25567165      9.88853025    -16.60457928
  H     14.88979941      6.72327704    -17.13004481
  H     14.75796727      9.46963414    -15.88820147
          69
 Ord_Energy   -248.478409    
 O   -8.51513767      -1.87653804      -1.50751054    
 H   -9.16393948      -2.19753909     -0.854176462    
 H   -8.82625198      -2.15658212      -2.36395359    
 O   -10.2522602      -2.70844316      0.400390893    
 H   -10.1084042      -3.50814271      0.919223309    
 H   -10.4240780      -1.99837923       1.03446090    
 O   -4.12441397      -1.94941497       3.80569053    
 H   -3.92555571      -1.59905481       4.68212032    
 H   -4.66562414      -2.73795605       3.96413040    
 O   -7.70065641      -1.39478159       2.28225923    
 H   -7.08403492     -0.725845397       2.60209799    
 H   -8.57988739      -1.00241756       2.19829607    
 O   -8.30244541      0.842607141     -0.697671950    
 H   -7.44974613       1.00653505     -0.279041290    
 H   -8.30816841      -7.35727921E-02  -1.00035203    
 O   -10.2601995       1.90173090      0.825912595    
 H   -9.60343170       1.54173267      0.200618833    
 H   -10.9040604       2.37887144      0.310165673    
 O   -8.24930191      -3.50611019       3.89794421    
 H   -8.81856728      -4.08876848       3.38290119    
 H   -8.04306602      -2.75376415       3.32056427    
 O   -7.12633705      -5.30822372      0.913241506    
 H   -6.33104610      -5.63777351       1.34656096    
 H   -6.89421082      -4.43064880      0.580256283    
 O   -8.07194138       2.73567796       2.42909217    
 H   -8.21581554       2.57729936       3.36903715    
 H   -8.90628529       2.54656148       1.98110878    
 O   -8.29113865      -1.83952177       6.14347649    
 H   -7.67392778      -1.13051760       5.91562462    
 H   -8.32729530      -2.45132494       5.39257908    
 O   -5.84960604      -3.14017582       6.94792032    
 H   -5.72367764      -3.68242478       6.15666246    
 H   -6.75308657      -2.80448723       6.89464426    
 O   -3.92578721      -3.32906032       1.29794025    
 H   -4.71158600      -3.02030993      0.824375093    
 H   -3.81908846      -2.75396991       2.06517148    
 O   -10.3349419     -0.550015152       2.18894291    
 H   -10.4054880     -0.418123811       3.14658856    
 H   -10.4329777      0.309886634       1.76271725    
 O   -10.2034922      -9.16346908E-02   4.88586187    
 H   -9.73379707     -0.742589355       5.42129087    
 H   -9.73220444      0.739855945       5.01625586    
 O   -9.59709740      -5.03372335       1.96146631    
 H   -8.72615910      -5.21276045       1.56087554    
 H   -10.0823994      -5.85412025       1.94991565    
 O   -4.14922667      -1.07591915       6.55403805    
 H   -3.49425387     -0.994618058       7.24168110    
 H   -4.70540905      -1.84293544       6.78475952    
 O   -6.43418455      -2.66328764      0.198565185    
 H   -6.86047506      -2.22869277      0.953134120    
 H   -6.98616648      -2.44055653     -0.560022593    
 O   -6.45145035      0.336514056       5.68203688    
 H   -5.67857170      -1.00370198E-02   6.14193487    
 H   -6.19222879      0.382179499       4.74745131    
 O   -4.63559341      -5.78403521       2.22192883    
 H   -4.29390383      -4.95426655       1.84092903    
 H   -3.95426083      -6.44088030       2.10930419    
 O   -6.05779362       1.81818843      0.861959636    
 H   -6.74547338       2.21188188       1.43245769    
 H   -5.57829332       2.54274654      0.468461931    
 O   -8.44910717       2.16296673       5.21839571    
 H   -7.72386312       1.57538819       5.48907137    
 H   -8.54389191       2.81538415       5.90858555    
 O   -5.64535189      0.241819799       3.10038519    
 H   -5.55348921      0.726542115       2.27165723    
 H   -5.00372124     -0.481022567       3.15048933    
 O   -5.62789297      -4.24709940       4.36972475    
 H   -5.30475187      -4.89603662       3.73410034    
 H   -6.56202030      -4.08628416       4.17057800    
          69
 Energy    -248.47830432859803     
  O     17.70342238      9.98874995    -10.98635307
  H     18.06223091     10.69133941    -10.43131522
  H     14.73707060     11.09998085     -8.88033385
  O     13.97935162      5.32206900     -8.43173124
  H     17.05712261      9.51138223    -10.44274164
  H     12.86957576      9.83077607     -8.23644767
  O     18.81006327     11.62530014     -8.99290331
  H     14.64004319      5.48734649     -9.12462149
  H     11.69989442      9.82046054     -7.22645496
  O     12.09345931      7.16922736     -9.58223037
  H     13.90092252      4.37524025     -8.34666877
  H     18.84668468      5.11892731    -11.60621908
  O     16.15397942      9.40065686    -13.17810136
  H     19.42849630     12.34898558     -8.94000741
  H     19.54694524      5.70350602    -12.85039917
  O     19.75006545      8.14405527    -10.93606363
  H     19.28239302     10.83053779     -8.68611255
  H     15.53289340      6.17052646    -11.28197389
  O     20.06870970      9.28142444     -8.39572973
  H     12.63897918      6.47253389     -9.19984457
  H     15.77598954      7.00274674    -10.00920844
  O     18.50967324      5.92437984     -9.79650353
  H     12.04747978      7.86188746     -8.91181181
  H     19.57467628      7.60878444    -13.99830958
  O     12.85935238      8.19261398    -12.02991301
  H     15.35617881      9.90664960    -12.98365964
  H     21.10473749      7.40149313    -14.12008679
  O     16.19234418     11.40947546     -7.84870446
  H     16.78601635      9.65418751    -12.48930593
  H     17.38628850      8.53840562    -14.34321583
  O     13.80853744     10.68983312    -12.15779624
  H     20.08237632      7.92257456    -11.81380993
  H     17.61428447      7.07853004    -14.79825713
  O     13.97249037     10.68957576     -9.31628171
  H     19.04579237      8.79906134    -11.05186335
  H     15.08386535      9.21036454     -9.51357443
  O     12.33851938      9.25806498     -7.65713430
  H     19.69811897      8.58119288     -7.84764324
  H     16.16571458      8.65990410     -8.55564670
  O     18.93222040      5.01702627    -12.56000501
  H     20.16643510      8.88686744     -9.27394310
  H     13.55132645      8.05987886     -6.80553267
  O     15.78457553      6.09350181    -10.35297127
  H     17.56445545      5.93209459    -10.00749397
  H     14.15709796      6.67081297     -7.08403657
  O     20.36974889      7.31117700    -13.52011477
  H     18.91680204      6.70005233    -10.21247885
  H     15.51191582      7.65663580    -13.02607560
  O     18.03584169      7.94545235    -14.74174079
  H     13.48937231      7.56248045    -12.39847845
  H     15.64780799      6.19767269    -13.53655251
  O     15.85129752      8.62750079     -9.47021189
  H     12.53145825      7.81024162    -11.20299647
  H     18.67643845      6.52398664     -8.08210350
  O     14.24294710      7.44918722     -6.52011150
  H     16.32844223     10.60972958     -7.32208536
  H     19.16690504      6.34906933     -6.63021355
  O     15.13341943      6.76835733    -12.95286223
  H     17.06074456     11.62111065     -8.21036995
  H     17.34163995      8.15538943     -6.81637818
  O     18.76809569      6.97697285     -7.22820411
  H     13.22368231     11.24048161    -12.67193276
  H     15.80087346      8.28655415     -6.57736332
  O     16.60398375      8.77626917     -6.82073385
  H     13.39259812      9.80684251    -12.11058566
  H     16.95729786      4.53302645    -15.01705369
  O     16.97833070      5.29263189    -14.44156236
  H     13.97673474     10.88710192    -10.25999476
  H     17.64339934      5.10876018    -13.75442366
          69
 Energy    -248.47816874593062     
  O     17.63360181      8.07214366    -16.19294093
  H     18.26579864      8.17968757    -15.47366619
  H     17.33001956      9.46408735    -17.30766512
  O     14.87479392     10.36595292    -11.48109422
  H     16.86173116      7.65282249    -15.79186070
  H     14.27892923     11.02468898    -18.83369121
  O     17.99468301     15.52432883    -14.08063066
  H     14.53050530      9.83707613    -10.75117282
  H     15.55816798     10.82648234    -17.97851659
  O     15.33400170      7.33280438    -14.69185493
  H     14.15757346     10.44400886    -12.12657661
  H     18.13901217     13.07993193    -12.30137068
  O     13.77052735      8.49826671     -9.69230848
  H     18.40591355     14.78714399    -13.59298709
  H     19.16830594     12.64290217    -13.36691883
  O     15.26930632      6.59406074    -10.93670632
  H     18.48030471     16.31205321    -13.85208444
  H     13.37734523     13.85567282    -13.61178460
  O     16.45241982     11.38873567    -14.44167823
  H     14.65823877      6.81032411    -14.24297995
  H     13.37911626     13.10262276    -14.93104116
  O     12.82705403     10.52419970    -13.36423909
  H     14.90385345      8.12835218    -15.04099498
  H     19.78499288      7.99946971    -13.37322584
  O     16.72033011      8.45164978    -12.55151961
  H     13.66415071      8.36080787     -8.75523449
  H     18.34962250      8.56426185    -13.27496404
  O     19.23363799     11.25972443    -14.60717183
  H     14.31673811      7.76459483    -10.02699123
  H     12.83593380      5.31208796    -13.21192335
  O     14.44475116      9.80039860    -15.48661744
  H     14.69391613      6.24076222    -11.62715794
  H     12.88828724      6.78618533    -12.74297051
  O     17.15132098     10.26216631    -17.82676159
  H     15.93209261      7.12451722    -11.39755870
  H     16.78210464     13.93711209    -16.55376663
  O     14.63640198     11.15032392    -17.95975473
  H     17.39517308     11.29467163    -14.62423484
  H     17.87296861     14.69411934    -15.77548716
  O     18.93772023     13.36511710    -12.76710327
  H     16.39186892     11.77364782    -13.55830518
  H     15.83461721     13.35368959    -12.33536917
  O     12.88502415     13.19298977    -14.10712394
  H     12.68364336     11.46785533    -13.51723363
  H     15.77387266     11.95038205    -11.61050841
  O     19.16616229      8.58448647    -13.80297506
  H     13.28404130     10.19585850    -14.15162743
  H     15.59962583     12.56169891    -15.48065323
  O     13.42785442      6.04732922    -13.07799926
  H     16.17791332      9.17597110    -12.21503441
  H     14.82964857     12.61782376    -16.81545231
  O     17.71753379     14.16910918    -16.57087509
  H     16.24599593      8.06424921    -13.30335845
  H     12.18684767      9.00289329    -12.50057652
  O     16.36027659     12.64725340    -11.93567951
  H     19.41141647     11.40967708    -15.54423670
  H     12.50109137      8.31509860    -11.15521534
  O     15.07808335     13.15202059    -16.05012126
  H     19.35901381     10.32496471    -14.39996146
  H     16.18102604     15.12794827    -13.67345826
  O     12.10455661      8.16661378    -12.02218307
  H     14.35018230     10.14562567    -16.38137507
  H     15.16428797     14.31717427    -14.47580825
  O     15.32204309     14.69122889    -13.59933775
  H     15.20709110     10.26029883    -15.09947136
  H     18.76522095     12.86321386    -17.06493253
  O     19.29242961     12.07344884    -17.28404153
  H     17.91537251     10.83938793    -17.72428329
  H     19.96085609     12.35044873    -17.90483063
          69
 Energy    -248.47801917245050     
  O     13.63610596      9.50067082    -10.84363904
  H     13.54375686     10.02722920    -11.65023429
  H     12.67731986      7.98627637    -10.51426099
  O     13.59558659      9.95574435    -16.82950272
  H     14.16313778      9.99886669    -10.20697131
  H     18.87251257      7.81669626    -12.75049406
  O     16.37547230     11.14649540    -13.38522132
  H     13.29032318     10.78566966    -16.44187350
  H     18.66815972      8.25021910    -14.21860881
  O     14.63456427      4.40953696    -13.07688353
  H     13.32971528      9.26203169    -16.21331574
  H     14.06875956     12.62711921    -15.52959100
  O     16.21779223      8.07042550     -8.39834638
  H     16.79171132     11.01471492    -12.52147506
  H     12.63820869     13.21841754    -15.58928747
  O     15.81028250     12.68407891    -15.67127184
  H     15.44054800     10.91892594    -13.30259517
  H     12.72511775      7.46984388    -14.15518480
  O     15.47012300      7.59820830    -11.79611089
  H     14.83246207      4.44999861    -12.13045075
  H     14.09472907      7.83400222    -14.75057352
  O     13.59850055     10.57580147    -13.35393590
  H     15.48303769      4.54243606    -13.51114940
  H     16.35323563     10.38731356    -18.37555050
  O     17.46396396     10.55713782    -10.93794646
  H     15.52318688      7.40013733     -8.39092188
  H     15.28592186     10.20230282    -17.27180355
  O     17.41970371      5.29235870    -13.69074267
  H     16.86635108      7.81017864     -9.06089143
  H     11.61241943      5.37625629    -13.28981192
  O     18.11156955      4.87130874    -10.91201887
  H     16.06496055     12.04950058    -16.35241349
  H     13.14599570      5.40145242    -13.13465004
  O     12.38709886      7.07164380    -10.38296052
  H     16.13836493     12.31813952    -14.83766618
  H     13.50312012      5.95729921     -7.62610816
  O     19.01771419      7.54187394    -13.66036535
  H     14.83266494      8.25966411    -11.50189429
  H     13.36461987      6.50762685     -9.06711448
  O     13.12372054     12.41678433    -15.41731044
  H     15.48878493      7.58101258    -12.76057353
  H     14.94248222      5.29901327     -9.69685627
  O     13.18102279      8.15082454    -14.66175059
  H     13.41430668      9.73579921    -13.79980561
  H     15.39432796      5.99220139    -10.99950289
  O     16.21662312     10.43837805    -17.43330480
  H     13.32406062     11.27651468    -13.95762585
  H     17.12009000      7.75358990    -11.19611784
  O     12.34381021      5.94625072    -13.06189999
  H     16.81477035     10.67929353    -10.23423065
  H     18.25800505      6.80015652    -10.76987904
  O     14.00552716      6.20636903     -8.39666498
  H     17.83991567      9.67969362    -10.80347554
  H     16.38154626      8.04938018    -14.83253333
  O     15.43574252      5.15226928    -10.51170373
  H     17.64516102      4.96692951    -12.81201369
  H     16.28657214      6.56563178    -14.37104840
  O     17.99932984      7.72958449    -10.78122447
  H     18.06109873      6.00743315    -13.83607743
  H     15.68977608      9.71019634     -8.65223275
  O     15.76371263      7.35352668    -14.56793618
  H     17.17275430      4.85546885    -10.65740323
  H     15.36307807     11.15014469     -8.18069243
  O     15.40491088     10.59243049     -8.95270368
  H     18.53297389      4.13731745    -10.47248862
  H     17.21457328      9.71010032    -16.03131902
  O     17.51727808      9.39887626    -15.16951152
  H     12.33340694      6.67869201    -11.26140596
  H     17.18939801     10.03690062    -14.51715360
          69
 Energy    -248.47797946081261     
  O     16.18395172      5.12366664    -13.82711959
  H     15.47155226      4.79642724    -13.26184569
  H     14.88474975     11.30348296    -14.89833084
  O     16.13414557     12.80426256    -12.05923578
  H     17.02621390      4.90273271    -13.40992648
  H     16.18963228      6.93954273    -13.65115994
  O     17.65528802     11.50815379    -14.11989968
  H     15.32704658     12.45136033    -12.47135189
  H     17.00429400      8.27337276    -13.46680237
  O     12.02101488      8.54362602    -13.39750564
  H     15.97751423     13.73134620    -11.89781032
  H     14.58940140      5.74456269    -11.04141296
  O     17.75136001      6.59922463    -10.48605300
  H     17.27703859     12.03429874    -13.40520200
  H     14.61585121      7.27573234    -10.86720793
  O     12.10279325      5.71053592    -13.67674462
  H     16.99569266     11.51159184    -14.82430161
  H     19.31781911      4.18482523    -12.44811633
  O     14.03270301     11.45085193    -13.20909508
  H     11.63268438      9.42051636    -13.50478440
  H     19.14003441      5.55140353    -13.15249904
  O     12.50204077     11.07987420    -16.46794309
  H     12.76754567      8.64403652    -12.79000858
  H     13.62117297      3.60465845    -11.91199994
  O     15.25941888      5.65242422    -16.43511395
  H     18.06738250      5.96878103    -11.14075152
  H     13.26999788      4.86560453    -12.73796316
  O     15.38293235      8.52362178    -16.22520555
  H     16.78792929      6.50497424    -10.44357199
  H     18.64337083      9.21187052    -12.21540767
  O     12.55604646      5.51233233    -16.48209472
  H     12.18011364      5.59203210    -14.63190514
  H     18.33819810      9.98482901    -13.54431736
  O     15.31020548     11.29098615    -15.76724553
  H     11.92852164      6.64762202    -13.52639695
  H     20.03023240      6.97146903    -15.03176241
  O     16.12970961      7.90377304    -13.64763431
  H     14.14958436     10.60022378    -12.76557645
  H     19.45158002      7.70640009    -13.81153606
  O     14.98848358      6.45626831    -10.52616920
  H     13.09297112     11.52548448    -13.41470476
  H     19.23720781      9.25220773     -9.72382706
  O     18.68717953      4.88164061    -12.60969087
  H     13.43798512     11.31240231    -16.44467566
  H     18.28005007      8.21044652    -10.35654998
  O     13.98242451      4.42271537    -12.24244521
  H     12.47142208     10.11690907    -16.56205951
  H     12.41500198      8.35551869    -15.19354614
  O     18.58256886      9.12258101    -13.17504334
  H     15.64229405      5.38015113    -15.58999536
  H     12.46006645      7.37599695    -16.39268221
  O     19.80169391      6.85218080    -14.11313814
  H     15.46933112      6.58874849    -16.53750012
  H     16.17812624     11.31436139    -10.83502134
  O     18.54844846      9.14872199    -10.37434427
  H     14.41763194      8.45030126    -16.24333994
  H     16.90808070     10.05073288    -10.32329664
  O     12.59411168      8.29812269    -16.14278870
  H     15.65767850      8.33171360    -15.31520878
  H     11.67835416     11.25868470    -14.94310207
  O     16.03754485     10.45973781    -10.41046636
  H     12.24735378      4.91512053    -17.15755484
  H     10.56236125     11.78395807    -14.00462849
  O     11.35562108     11.25615179    -14.02303258
  H     13.53004759      5.48411725    -16.50139923
  H     14.97100271      8.55934772    -12.53116526
  O     14.34863952      8.96143334    -11.90243956
  H     15.42071492     10.36094312    -16.01418340
  H     14.87379673      9.46209973    -11.25687942
          69
 Ord_Energy   -248.477783    
 O    7.73737144       1.65116005E-02   6.67836905    
 H    8.44181061     -0.447137713       6.20969248    
 H    7.63250303      0.864682257       6.22327423    
 O    1.31200874      -2.02277350       5.47741842    
 H    1.25819910      -1.06553733       5.63590336    
 H   0.433184892      -2.37178946       5.60831976    
 O    4.19305897      0.715037942       5.86566353    
 H    4.60476255      0.936142325       6.71132851    
 H    4.54943943       1.30935144       5.19344521    
 O    3.24307442      -2.19123936       7.64012241    
 H    2.58950448      -2.26471257       6.93532705    
 H    4.10197067      -2.22216439       7.20058393    
 O    3.20675063      0.199009091       9.10240364    
 H    3.15390444     -0.667340636       8.67401409    
 H    4.12542248      0.484311134       9.01413155    
 O    5.22442198       2.35980535       3.87648273    
 H    4.50879145       2.99658513       3.76327372    
 H    5.17440987       1.69445598       3.17536163    
 O    1.47151232      0.688032925       5.89698696    
 H    2.44184065      0.648010910       5.84899664    
 H    1.28744733       1.22739089       6.67377234    
 O    9.41057682       1.45761991       3.83318186    
 H    9.67505932      0.621435463       4.23010635    
 H    8.93342972       1.21101260       3.02612185    
 O    8.16040611      -2.35367942       2.80473900    
 H    8.34616566      -3.08922935       2.22612286    
 H    7.20311403      -2.37430930       2.97911549    
 O    5.51043892      -2.22316599       3.38953781    
 H    4.57927084      -2.41183257       3.20010042    
 H    5.57383680      -2.11151075       4.34962130    
 O    7.94695616      0.349017590       1.73204327    
 H    6.98758554      0.445537299       1.69151187    
 H    8.09699345     -0.576130033       1.95808828    
 O    2.81046772      -2.34085774       3.05169988    
 H    2.55676389      -1.57954800       2.51560855    
 H    2.29186082      -2.28841400       3.86386371    
 O    9.59060764      -1.24384224       4.94990778    
 H    9.10953236      -1.66263616       4.21903706    
 H    10.3631563      -1.78069627       5.11121607    
 O    6.17330790       3.80284858       7.44807148    
 H    6.70794249       3.43925691       6.72023773    
 H    6.67533588       4.52143145       7.82440281    
 O    1.69150937       2.24583602       8.23337841    
 H    1.11566520       2.54578686       8.93119335    
 H    2.20929790       1.50364792       8.59779549    
 O    7.47350550       2.54567552       5.40432549    
 H    8.24611759       2.31008649       4.86979675    
 H    6.70910072       2.52514529       4.80864954    
 O    5.11497688      0.268946171       2.09738517    
 H    4.20786667      0.223061934       1.77013922    
 H    5.27389908     -0.558653414       2.57227612    
 O    1.47906506       1.83242929       3.33895183    
 H    1.93707347       2.66644979       3.49734330    
 H    1.33703911       1.44251168       4.21171570    
 O    3.04073954       4.10911560       4.00178385    
 H    3.11650062       4.09862852       4.97366381    
 H    2.92720222       5.01970243       3.74354577    
 O    3.38132572       3.98098326       6.68073130    
 H    2.84570670       3.41308308       7.24835634    
 H    4.28873968       3.94450164       7.00422096    
 O    5.55715609      -1.65180433       6.05939960    
 H    6.38491440      -1.23932946       6.33474445    
 H    4.95165491     -0.906824291       5.91340017    
 O    2.37392354       4.93905991E-02   1.52272832    
 H    2.01685405      0.702326953       2.15119505    
 H    1.85436404      0.119818442      0.726543367    
 O    5.69586945       1.16196311       8.25536156    
 H    5.88688135       2.10321951       8.15361023    
 H    6.46485949      0.682097137       7.92103863    
          69
 Energy    -248.47719292693648     
  O     12.96034822      7.71522487    -10.04960447
  H     12.25270980      7.44130260     -9.47206187
  H     16.10325987      7.46329466    -16.07021418
  O     16.08076518      5.16828410    -13.02368610
  H     13.14958165      8.64969527     -9.84066233
  H     20.35274253      7.70399960    -14.77503535
  O     13.61966758     11.79770309    -11.81239306
  H     15.20912244      5.13314732    -13.43527502
  H     19.34112489      7.63213810    -13.60732126
  O     16.26557847     12.11747056    -12.92778725
  H     16.73423178      5.09340111    -13.73784492
  H     15.84946503     10.18844626    -15.34818620
  O     12.00992742      6.91417765    -16.55421943
  H     14.49379743     12.02150429    -12.15112485
  H     15.53852782     11.46273733    -14.54887764
  O     15.68218070      7.28023971     -9.16831754
  H     13.16714346     11.34444705    -12.53570926
  H     14.82026956      8.01506992    -12.79728409
  O     13.74683763      5.71540706    -14.56347817
  H     16.65854767     11.38074640    -12.43072067
  H     16.00638924      7.03214549    -12.85473782
  O     12.74862307     10.25688289    -14.01129412
  H     16.83671644     12.87074539    -12.79869407
  H     17.82799898      4.85585540    -10.33873631
  O     13.63406028     10.14384334    -17.51495900
  H     12.64495874      7.01631761    -17.27455415
  H     16.93019233      5.34873235    -11.49544046
  O     17.78283011      5.28382134    -15.14492771
  H     12.44333411      6.36550211    -15.89054166
  H     16.95819124      9.98370511    -10.55046590
  O     16.96014201      8.78804357    -15.16230314
  H     14.78694808      7.25443034     -9.52655148
  H     16.63267073      9.23770405    -11.88055449
  O     15.67049355      6.66745988    -16.41025789
  H     16.22681670      6.68612840     -9.69802840
  H     18.53646783      8.58639077    -11.68912071
  O     19.42856036      7.58110025    -14.57583196
  H     14.40608360      6.07706006    -15.17532306
  H     18.54357220      7.06314135    -11.43566045
  O     15.19361367     10.89408073    -15.24833419
  H     13.45450076      6.43115628    -13.97842551
  H     16.81019353      9.99390631     -7.95364404
  O     15.78500989      7.97078733    -12.82043779
  H     12.10236418     10.07097229    -14.70427162
  H     16.18827989      8.90112198     -8.85910702
  O     17.42941533      5.63834051    -10.71276972
  H     13.58784755     10.44444843    -14.45575257
  H     14.04486811      7.62041697    -19.41380612
  O     17.17874455      9.93859908    -11.49045582
  H     12.75435391     10.06555459    -17.12441545
  H     13.94643671      8.56106983    -18.18756441
  O     19.01137652      7.77105773    -11.89414349
  H     14.19737487     10.53510844    -16.83565655
  H     13.60696614     10.85367760    -10.29406195
  O     16.41399589      9.84885415     -8.80822018
  H     18.42686735      5.99126717    -15.01960858
  H     14.57010747     10.28068416     -9.22256194
  O     14.03492190      7.63019850    -18.46077129
  H     17.11177291      5.63267547    -15.74857217
  H     11.40610210      8.53274098    -16.26694335
  O     13.66023368     10.25066436     -9.53723929
  H     17.87974838      8.50684399    -15.08671810
  H     10.26753785      9.56832656    -16.43300554
  O     11.18173893      9.47662793    -16.17929412
  H     16.53657317      8.54194967    -14.32418269
  H     12.84016210      8.66844977    -13.16050030
  O     13.05660178      7.78589690    -12.82888301
  H     15.18543438      6.92970891    -17.20179189
  H     12.90961624      7.75869498    -11.87419224
          69
 Ord_Energy   -248.477173    
 O   -5.58083200       5.28669930       8.23415756    
 H   -6.38049507       4.77916336       8.39914989    
 H   -4.88784742       4.64913416       8.00876331    
 O   -2.67555666       5.50704002       5.12215757    
 H   -1.83650196       5.93242407       4.96877241    
 H   -2.89492893       5.01263809       4.31200647    
 O   -8.16573143       1.25727081       8.51668167    
 H   -8.22170448       2.22487140       8.54995728    
 H   -8.37584591      0.941538036       9.39278793    
 O   -4.50791645      -2.09021306       2.36886811    
 H   -4.66324711      -2.57145405       3.19178820    
 H   -5.11733055      -1.33988762       2.38906503    
 O   -9.21159172       7.95411039E-03   6.05159044    
 H   -9.02163219      0.402266234       6.90832758    
 H   -9.37349987      0.749680579       5.44787645    
 O   -6.01315308      0.243357584       2.93836832    
 H   -5.19763231      0.709432006       3.17131352    
 H   -6.62015581      0.882923543       2.54874539    
 O   -5.97372055      0.622888088       6.87543917    
 H   -6.66086054      0.801243067       7.52825689    
 H   -6.30433512      -7.71871731E-02   6.29635191    
 O   -3.28062034      0.964087129       6.40762186    
 H   -4.19515800      0.810614109       6.68929911    
 H   -2.90492868       9.11705568E-02   6.22277212    
 O   -8.32821846       4.45774508       5.78758383    
 H   -7.50214100       3.95010424       5.72633982    
 H   -8.17562485       5.26484776       5.28252506    
 O   -8.27039909       4.03700590       8.47624683    
 H   -8.39709854       4.25292492       7.53611279    
 H   -8.78066158       4.67189646       8.97392941    
 O   -5.20819044       6.67350197       5.84720278    
 H   -4.32380581       6.39149284       5.58891439    
 H   -5.37101364       6.29823542       6.72506905    
 O   -7.76343775       2.23995566       1.99680257    
 H   -8.08514786       2.40245128       1.11355186    
 H   -7.23790312       3.01613188       2.25567126    
 O   -2.08774185     -0.921513081       2.73696136    
 H   -1.43460202      -1.15966773       2.08525538    
 H   -2.90675306      -1.39551270       2.50494242    
 O   -9.42025280       2.20398974       4.38104439    
 H   -8.93434143       2.19463277       3.54886627    
 H   -9.18854332       3.03112650       4.81983566    
 O   -4.96627235      -3.05554891       5.02472591    
 H   -5.73978853      -2.47227907       5.11191511    
 H   -5.22876120      -3.90874672       5.36087751    
 O   -3.51445746       1.33399951       3.62484121    
 H   -2.93712854      0.651700437       3.25833178    
 H   -3.44344115       1.27108157       4.58731318    
 O   -5.97753382       3.05627012       5.51164293    
 H   -6.09030819       2.15799594       5.84544373    
 H   -5.20938873       3.41232252       5.97734594    
 O   -3.66893268       3.65858197       6.98533678    
 H   -3.34333968       2.75736260       6.85626268    
 H   -3.17232537       4.24941540       6.40387297    
 O   -6.99044037      -1.22578442       5.06963587    
 H   -6.73695612     -0.711781144       4.28845882    
 H   -7.85995054     -0.914613485       5.36448288    
 O   -7.32384777       6.57805920       4.21660519    
 H   -7.58108187       7.45397043       3.94481468    
 H   -6.55018282       6.67819405       4.80438566    
 O   -3.44355369       4.04998112       2.98222589    
 H   -4.37386703       4.22657490       2.79610419    
 H   -3.38780308       3.09737325       3.14291883    
 O   -2.55371213      -1.53828275       5.51865435    
 H   -3.33693218      -2.09657478       5.43683386    
 H   -2.23863792      -1.40051603       4.61710787    
 O   -6.25539207       4.25727463       3.03238058    
 H   -6.08025599       3.78048253       3.86016893    
 H   -6.63373661       5.10833120       3.28571534    
          69
 Energy    -248.47689722383254     
  O     12.44298781     11.25449403    -14.75980745
  H     12.89678958     11.12534269    -13.91437693
  H     15.79197226      5.39762324    -14.87072891
  O     14.05958285      5.34645580    -17.45334029
  H     13.03203345     10.90924068    -15.44037623
  H     15.84967557      8.30369327    -10.40549677
  O     13.82710408      6.25945457    -11.76474537
  H     13.94383347      4.95251093    -18.31382528
  H     15.23417184      6.97792592    -10.94761736
  O     18.36498102      5.82644560    -10.90524361
  H     13.61542814      6.21266283    -17.48014789
  H     14.44629618      8.14453839    -14.38933887
  O     12.95744461      3.99831159    -15.10907179
  H     12.92208435      6.14698361    -11.45193989
  H     13.59752759      8.87957469    -13.31927175
  O     10.09760241     10.07089502    -14.05845517
  H     13.76838592      6.85815535    -12.52693815
  H     14.75593984     10.71837184    -17.31893325
  O     12.84889855      7.76589446    -17.40973712
  H     18.90607609      6.37992356    -11.48067690
  H     14.98111670      9.64515527    -16.23167347
  O     19.65697665      7.33698742    -13.01765315
  H     17.58559997      6.35099219    -10.67453397
  H     10.45804183      5.79215496    -10.75634741
  O     11.23981305      7.75588762    -15.14871327
  H     13.72484996      4.01018978    -14.52299456
  H     10.95075995      5.87103561    -12.22145860
  O     17.66934892      3.66298358    -12.38842191
  H     13.25352330      4.40185422    -15.93260935
  H     10.69218973      9.38268370    -12.33641277
  O     18.65446526      5.32458225    -14.51837925
  H      9.34280586     10.62492002    -14.23690467
  H     11.11874809      8.16874935    -11.47208652
  O     16.13653739      5.83273947    -15.66526353
  H     10.88442899     10.56245251    -14.35708449
  H     15.97796798      4.11555258    -13.01140774
  O     16.05904677      7.40112158    -10.66543432
  H     12.15702621      7.74048563    -16.73320624
  H     14.72149045      5.01004422    -12.76105588
  O     13.67903623      8.05137066    -13.81408011
  H     13.30211322      8.60693977    -17.28690958
  H     10.83415275      6.12468126    -14.37711545
  O     14.29837909     10.15605157    -16.69798703
  H     20.58558083      7.46004584    -13.19295752
  H     11.53190423      4.75944782    -14.25414400
  O     11.07256809      6.24385924    -11.32776114
  H     19.34769085      6.63272149    -13.61698359
  H     16.13887833      7.61269972    -15.50012376
  O     11.21045653      9.12452667    -11.56341738
  H     10.71172722      8.50696947    -14.85348668
  H     16.50431023      8.71741971    -14.46272618
  O     15.19217656      4.49058498    -13.42685195
  H     12.08572488      7.81675239    -14.67790397
  H     14.24224678     10.42260456    -11.71951153
  O     10.86376777      5.32267588    -13.83879985
  H     17.98238076      2.84897732    -12.00353574
  H     12.72896131     10.00163707    -11.87126687
  O     16.01769164      8.54853662    -15.28015280
  H     17.92328545      4.38049135    -11.78096152
  H     16.44129144     10.95572549    -10.42676270
  O     13.49746037     10.38336255    -12.32745486
  H     18.39015609      4.63611287    -13.89548986
  H     16.50254789      9.96739097    -11.61199395
  O     15.93801219     10.29084328    -10.89105252
  H     17.87907647      5.49435929    -15.06946985
  H     18.18175933      8.41175197    -12.90983021
  O     17.28756717      8.76109865    -12.79730919
  H     15.51645922      5.62839820    -16.37708914
  H     16.83780856      8.14464863    -12.20100183
          69
 Energy    -248.47682688735870     
  O     -6.01595521      4.33745755     -0.44210507
  H     -5.78436796      3.74266985      0.29366312
  H      0.21076560      0.31849749      1.10258526
  O     -2.32594218      4.02869893     -3.56234833
  H     -6.69001575      4.92816285     -0.11574355
  H     -0.17759070      2.47249916      0.65058293
  O     -5.13056056      2.55323184      1.38766020
  H     -2.67927617      4.43901458     -2.75126083
  H     -0.93295819      3.84976538      0.49603850
  O     -2.96525067     -0.66857537      1.09385890
  H     -2.41493065      4.67509221     -4.25739338
  H      2.65134735     -1.21788552      0.53475432
  O     -0.48232713     -0.21635995     -2.36517080
  H     -4.39318709      2.32997842      0.79741866
  H      2.72552081     -2.64613408      1.09886040
  O     -3.80418551      1.71824618     -2.98604636
  H     -5.48597864      1.70351577      1.68096132
  H      2.86001127      0.73238070     -0.52833994
  O     -4.24674829     -1.58931154     -1.32410476
  H     -2.08268334     -1.01313388      0.89499290
  H      4.03918238      0.98592288      0.44045899
  O     -2.93286719     -0.88805371     -3.56664529
  H     -3.03464132      0.17343660      0.61315230
  H     -5.54459473      1.88432652     -2.45865944
  O     -0.09227556      2.58341097     -2.58172506
  H     -1.26054633     -0.51433953     -2.85013585
  H     -6.37829639      2.79880808     -1.54276911
  O     -0.39661966     -1.16604030      0.22912861
  H     -0.44164038      0.74530214     -2.46748921
  H     -0.84652732      1.14417324      2.76532262
  O     -5.72537225     -0.10038043      1.80590226
  H     -3.27999541      2.44795223     -3.33865605
  H     -2.21558416      0.45950638      2.64421239
  O      0.61300330      1.09371919      1.52358135
  H     -3.46683376      0.88443321     -3.33599121
  H     -7.65810998     -0.77225979     -1.04077018
  O     -0.63995402      3.05548694      0.03321764
  H     -5.15205494     -1.27370805     -1.20463551
  H     -6.69400240      0.42079370     -1.23727966
  O      2.19621022     -2.07270347      0.54940449
  H     -3.80404788     -1.44545053     -0.48026050
  H     -2.25656405      2.20369631     -0.18598317
  O      3.17848844      0.58070427      0.38010845
  H     -3.41071668     -1.19924553     -2.77494506
  H     -3.33762535      1.70885731     -1.20104764
  O     -6.39830281      1.95552414     -2.00856790
  H     -3.11744783     -1.51004669     -4.26479795
  H     -1.61207267      6.05685837      1.60845174
  O     -1.74128552      1.14371445      3.12769819
  H     -0.21966515      2.80760275     -1.64584799
  H     -2.32360618      4.70513195      1.86240709
  O     -6.78313804     -0.45830078     -0.82855229
  H     -0.74766263      3.10034117     -3.06180170
  H     -2.89333124      5.19125094     -0.46231504
  O     -3.08483445      1.71526105     -0.26994010
  H      0.43651921     -1.64369108      0.34062982
  H     -4.28770685      4.86607461     -1.04474237
  O     -1.89899874      5.25637599      1.17841187
  H     -0.44473817     -0.87343990     -0.69329034
  H     -2.55671368      2.78094305      3.11910660
  O     -3.37557190      5.06642328     -1.28823959
  H     -4.83353826     -0.46132768      1.73320933
  H     -3.88917794      3.31400199      2.56593177
  O     -3.04399161      3.59754667      2.93708869
  H     -6.15524842     -0.28756412      0.96085483
  H      1.50938463      0.18217881     -2.26646158
  O      2.13286121      0.90127157     -2.10738125
  H      1.55105111      1.04065106      1.31113553
  H      1.62782661      1.68834977     -2.34986374
          69
 Energy    -248.47670550995656     
  O     -4.46446649     -0.96017036     -0.57447048
  H     -4.56901182     -1.85130722     -0.21896651
  H     -2.00444639     -2.26579400      1.45837905
  O     -1.99771299     -0.55826124      1.79949708
  H     -3.67627968     -0.97734752     -1.13001223
  H      1.28858017     -1.35782294      1.67853053
  O     -5.13502553     -2.77229052      3.15311209
  H     -1.37893317     -0.26438822      2.48123887
  H      1.00550069     -0.11523974      2.59973593
  O      2.23555000     -2.19542343      4.32293115
  H     -1.87780589      0.03547178      1.04775650
  H     -3.26148235     -3.01263812      5.92752787
  O     -4.65652426     -3.54401001      0.62665850
  H     -4.63829636     -3.13365839      3.90209413
  H     -2.67294130     -3.90583500      4.82177481
  O      0.75763635     -2.99375149      0.93517672
  H     -5.02804018     -1.81592212      3.20010085
  H     -4.17605715      0.17761391      5.00327770
  O     -2.58101158     -1.60803464      7.09605013
  H      1.45820356     -1.97316787      4.85275561
  H     -3.27583295      1.28198062      5.55739166
  O     -4.37781356     -0.02293173      3.10494646
  H      2.27374956     -1.53938082      3.61694906
  H     -1.20867600     -1.18532895     -1.93134232
  O     -1.38897838      1.20317750     -0.30651672
  H     -5.21650194     -4.27298018      0.37527085
  H     -2.14473010     -0.81801911     -3.10300932
  O      0.44331265     -1.56140181     -1.46996040
  H     -4.88735799     -3.31458635      1.54662799
  H      2.15881833      1.46879114     -0.49457484
  O     -0.28765340      0.45676014      3.70178390
  H      1.15591350     -3.62388347      1.54668904
  H      1.60717369      0.44691703      0.52651757
  O     -1.95785145     -3.22383909      1.30676567
  H     -0.19919291     -3.14186545      0.97998446
  H     -3.16171224      1.42909543      3.66987326
  O      1.65779336     -0.52646256      2.01168648
  H     -2.76997662     -1.58889924      8.03044768
  H     -2.57154720      2.63102168      2.97146406
  O     -3.50499934     -3.62290553      5.22262125
  H     -3.02716143     -0.83778345      6.70275258
  H      2.26942302     -5.25660155      3.31046596
  O     -3.75439752      0.48746612      5.81658450
  H     -3.56893845     -0.31789009      2.65759134
  H      1.95072475     -3.77001662      3.60550853
  O     -2.08175256     -0.81487247     -2.15096911
  H     -4.88820171      0.44896648      2.43354545
  H     -6.22368114      1.45258161      0.46513458
  O      1.42520561      0.88431131     -0.32267903
  H     -0.42317531      1.20336184     -0.31803442
  H     -5.06570217      0.44504589      0.27276266
  O     -2.51384757      2.13322522      3.80026232
  H     -1.67774746      0.64680069     -1.04112522
  H     -0.18711233     -4.34606761      3.65658035
  O      1.63999984     -4.56329893      3.13284738
  H      0.88466192     -0.73690931     -1.23216027
  H     -1.44703441     -3.76739699      2.97006243
  O     -5.37471607      1.19420759      0.81390890
  H      0.63077260     -2.17187529     -0.74509213
  H     -0.63492902     -2.48916311      4.82322565
  O     -1.05804617     -3.97157334      3.83264547
  H     -0.36177680     -0.21529817      4.39552918
  H     -1.03047405     -1.67657668      6.07782906
  O     -0.37769059     -1.73193405      5.36947080
  H     -0.94857991      1.14570621      3.85393445
  H     -2.42043165      2.46882133      0.61799036
  O     -3.04755306      2.91756847      1.20069511
  H     -2.82824641     -3.49001183      0.99187384
  H     -3.89007475      2.47511919      1.04355761
          69
 Ord_Energy   -248.476685    
 O   -1.05306339       9.36514378      -15.4174051    
 H   -1.21660817       9.91164589      -14.6265144    
 H   -1.78762758       9.50582981      -16.0085392    
 O    4.77938080       12.7656250      -10.4516220    
 H    5.21784544       11.9077644      -10.4814310    
 H    3.91344953       12.6081886      -10.0517073    
 O    3.38700080       7.99703312      -14.9013157    
 H    2.96700811       7.32785225      -14.3470554    
 H    4.00555897       8.48074150      -14.3395071    
 O    2.52368665       12.5392962      -15.9404173    
 H    2.39114451       12.8125648      -16.8445187    
 H    2.20343733       11.6234522      -15.8749743    
 O   -1.43921328       10.6998320      -13.0954657    
 H  -0.854053915       11.2956524      -12.6162472    
 H   -1.69474936       10.0019970      -12.4781189    
 O    1.26478493       9.21036243      -7.34355354    
 H    2.10677457       9.22112083      -7.81782055    
 H    1.06041467       10.1318951      -7.14355516    
 O  -0.631815374       7.14073610      -13.6829500    
 H  -0.775015473       7.79299545      -14.3790255    
 H   -1.14601398       7.45393324      -12.9287834    
 O    3.38025355       9.38897419      -9.27907753    
 H    2.94569087       8.79413033      -9.90733719    
 H    4.26669312       9.55230618      -9.62391853    
 O   0.519455910       12.2776518      -11.6120253    
 H    1.13352478       12.2185507      -10.8637285    
 H   0.896508574       12.9097548      -12.2458801    
 O    1.86554325       6.15926743      -13.2864952    
 H   0.956748843       6.46440697      -13.4630280    
 H    1.86404419       5.21208525      -13.3954763    
 O  -0.243700773       8.58573818      -9.56265640    
 H   0.155380160       8.69510746      -8.68804169    
 H   0.478201449       8.31387711      -10.1478586    
 O    1.97690916       10.1887255      -12.7767305    
 H    1.50016892       10.9433947      -12.4153538    
 H    1.78060734       10.1404524      -13.7209511    
 O    4.70908117       9.90749454      -13.1602917    
 H    4.95456791       10.6739540      -13.7010584    
 H    3.77559686       10.0357819      -12.9372578    
 O    1.86220741       13.7601824      -13.4351091    
 H    1.99351990       13.3996534      -14.3203096    
 H    2.74127579       14.0246773      -13.1345959    
 O   -1.07922459       11.3110838      -9.42584324    
 H  -0.830462635       10.3800983      -9.50786209    
 H  -0.728617966       11.7453527      -10.2122793    
 O    1.65044534       9.99254322      -15.5638533    
 H   0.735524893       9.69447422      -15.6366863    
 H    2.23751068       9.22424889      -15.4849730    
 O   0.498875260       11.9960947      -7.31171942    
 H    9.93588120E-02   12.5872660      -6.67993593    
 H  -0.173948780       11.8100185      -7.99129200    
 O    5.75775719       10.0637608      -10.6468897    
 H    5.45738602       9.95241356      -11.5658579    
 H    6.66021299       9.75759125      -10.6124382    
 O    4.54990578       14.2916479      -12.6624260    
 H    4.66595507       13.7698345      -11.8483257    
 H    4.99589205       15.1222525      -12.5211487    
 O   -2.08973265       8.37225437      -11.5430193    
 H   -1.50262046       8.38264465      -10.7686357    
 H   -2.96932626       8.20252419      -11.2142553    
 O    5.03284311       12.2349405      -14.5762768    
 H    4.25858927       12.3360376      -15.1432743    
 H    4.98115396       12.9668388      -13.9481182    
 O    1.91758931       7.99379826      -11.1796780    
 H    1.97984505       7.23035240      -11.7637663    
 H    1.89192080       8.77118969      -11.7604494    
 O    2.28197336       11.9481058      -9.48241615    
 H    1.77636218       12.0977974      -8.67415524    
 H    2.62478399       11.0438356      -9.43000317    
          69
 Energy    -248.47652765169528     
  O     11.13671805      8.59853995    -14.13420127
  H     11.76778261      8.37106637    -14.83266347
  H     18.79487265     10.60726586    -13.13395154
  O     16.81270014      6.57423228    -13.65202068
  H     11.29739104      9.52620544    -13.92864800
  H     13.64883148     11.06552360    -16.54755803
  O     16.13646038     10.47337358    -10.52653577
  H     16.38858098      5.93821804    -13.06316828
  H     14.52038133     11.62451739    -15.41749132
  O     16.17536325     11.13033092    -14.75144446
  H     17.61430796      6.87910970    -13.20786590
  H     14.40895959      8.42875875    -14.68466840
  O     13.73020085      5.26023299    -16.28680311
  H     15.26372463     10.38194040    -10.93202759
  H     15.67033431      7.97936027    -13.88181691
  O     15.05281508      6.23302481     -9.59064975
  H     16.65018291     11.02539802    -11.12774233
  H     10.34105108      6.21239364    -12.27340342
  O     13.76080216      9.95413684    -11.93687015
  H     16.90256788     10.95390149    -15.36138434
  H     11.15705132      7.27894132    -13.04020408
  O     16.47126255      8.78416404    -17.55656955
  H     15.80738880     10.26740249    -14.50284618
  H     19.75250382      7.10490515    -11.81404883
  O     15.50915185      4.78481154    -11.88703836
  H     13.33290279      4.54065408    -16.76914627
  H     18.38709195      7.71461628    -11.40671701
  O     18.45239243     10.32723875    -16.20060230
  H     13.56066507      5.09360214    -15.34140244
  H     12.56041485      5.45247686    -13.22460539
  O     16.40975416      6.26412756    -16.42633825
  H     14.90465002      6.07806840     -8.66198086
  H     13.98221969      4.87521694    -13.01724346
  O     19.25856944      9.93223838    -13.64480686
  H     14.30059117      6.76712802     -9.90983670
  H     17.67429417     12.88926240    -12.50735287
  O     13.61699278     11.62469236    -15.76253194
  H     14.22898455      9.46478658    -12.63131874
  H     16.99238913     11.74408121    -13.29090324
  O     15.05643356      8.71019073    -14.02524985
  H     13.10747921     10.49779860    -12.39077756
  H     16.53779794      7.40905716     -9.92794282
  O     11.23023787      6.51069981    -12.44450250
  H     17.20734197      9.24850232    -17.14461908
  H     16.87820044      8.88892250    -10.22936734
  O     18.97773446      7.53662476    -12.16305265
  H     16.48576592      7.87954703    -17.20931542
  H     14.91847539      9.43803648    -17.80927399
  O     13.25974379      4.94149892    -13.65139420
  H     15.35865988      5.26159132    -11.05492705
  H     13.83286810      9.84841307    -18.83402502
  O     17.55198385     11.94321935    -12.52083208
  H     15.85131588      3.92485786    -11.65348321
  H     13.22944173      8.49854412    -10.96525724
  O     17.25733722      7.99762009    -10.17449013
  H     19.15786717     10.75848096    -16.67553808
  H     12.36553677      7.23188158    -11.14918568
  O     13.99898966      9.75268610    -17.90068358
  H     18.80479363     10.11003472    -15.31901456
  H     11.40493615     12.07860012    -13.55540080
  O     13.01712609      7.64268603    -10.56881256
  H     16.65008503      6.31636900    -15.49181435
  H     12.50685227     11.43617768    -14.42738731
  O     11.94148779     11.29594027    -13.64688394
  H     15.54555805      5.83679810    -16.44841212
  H     13.36229040      8.53030734    -16.69510804
  O     13.13353570      7.96981394    -15.94264490
  H     19.19715030      9.11456879    -13.13642773
  H     13.31148141      7.05118752    -16.18034825
          69
 Energy    -248.47650894689559     
  O     16.52327106     12.44974209    -15.59733880
  H     16.64512630     13.39506139    -15.62651743
  H     15.96815182      4.11910177    -15.95725388
  O     15.22565830      6.39903591    -14.01385130
  H     15.59270987     12.29369315    -15.35546314
  H     19.21075168      5.61876025    -13.48651441
  O     18.57139860      8.65641150    -12.06698715
  H     15.76530548      6.27922849    -13.22147166
  H     17.92176544      5.28587666    -12.71780432
  O     18.23145236      5.51341913    -17.62502074
  H     14.54756693      7.05235960    -13.79246162
  H     18.60590587     10.11613157    -17.87444135
  O     15.46647441      6.06392873    -18.38484626
  H     19.24027288      8.19260403    -12.58604863
  H     19.93310095      9.99517178    -18.63957902
  O     15.27831208     10.02782266     -9.67033354
  H     18.20419362      9.35138294    -12.63152664
  H     16.39132578      7.48422201    -14.86542254
  O     13.47817283      8.42477914    -13.30891444
  H     18.09532069      4.79028941    -16.99860075
  H     17.72350519      7.88933279    -15.61022121
  O     17.28902886     10.42040546    -13.78114913
  H     17.36053916      5.73873071    -17.97118410
  H     14.17878213     11.54534201    -13.86357766
  O     17.74406231      3.56880372    -15.60038015
  H     15.11076656      5.58950338    -19.13170371
  H     13.56340616     11.09744506    -15.20450985
  O     14.45631322      7.47184647    -10.71360421
  H     15.27562622      5.52590166    -17.59414191
  H     13.64596665      9.15330575    -16.46754149
  O     19.39653993      7.52607003    -16.22899239
  H     16.21520074      9.79582077     -9.55016937
  H     12.11815291      9.38514728    -16.45071621
  O     15.15780669      4.61501628    -16.12849669
  H     15.00177800     10.48130679     -8.87825886
  H     20.04345859      7.32067373    -14.63738622
  O     18.52682866      4.94603821    -13.38962247
  H     13.96578047      9.18953061    -12.96832116
  H     21.26615626      7.12475939    -13.71089101
  O     19.49584962      9.72740284    -17.83565855
  H     13.13134499      8.69995018    -14.16612219
  H     16.01402076      6.70702944    -11.24762786
  O     16.86993106      8.20824122    -15.29066604
  H     17.21312205     11.19005889    -14.35667307
  H     17.36825133      7.21424372    -11.81414910
  O     14.01467654     11.83242525    -14.77267373
  H     17.11953138      9.64535598    -14.34190813
  H     18.22953948      9.08469990    -10.35928867
  O     12.90302853      9.44253376    -15.91138820
  H     18.05701414      2.67280374    -15.50925500
  H     18.33067588      8.65339676     -8.88846381
  O     20.31360767      7.17178597    -13.71345997
  H     18.01629766      4.04062228    -14.79357971
  H     16.25050067     10.11189147    -17.83580728
  O     16.80987974      6.43088384    -11.72599929
  H     14.63516666      8.31389068    -10.27743369
  H     16.79817095     11.37388410    -17.12959514
  O     17.89291592      9.27236104     -9.46842937
  H     13.91819119      7.68201241    -11.48564322
  H     15.76763847     10.56817483    -12.79461393
  O     16.95951647     10.76544429    -17.86142329
  H     19.51023316      8.30497837    -16.79340954
  H     15.00881531     10.54334589    -11.43406381
  O     14.89257640     10.64020843    -12.38627383
  H     19.08365773      6.79339140    -16.78127086
  H     15.74842480      8.56082471    -16.60938437
  O     15.11182489      8.64519143    -17.33716124
  H     15.05587554      5.20050000    -15.36443960
  H     15.16802026      7.81415212    -17.82532646
          69
 Ord_Energy   -248.476471    
 O   -2.05926156       7.80113411       1.39918721    
 H   -1.25232553       8.28918266       1.20068479    
 H   -2.74263191       8.44185543       1.63688695    
 O   -5.49302483       4.57734537       5.63054848    
 H   -5.19303465       3.92749357       4.96955013    
 H   -5.60625792       4.10203075       6.44950104    
 O    1.89772785       7.25846577       1.80841124    
 H    2.82120943       7.49806881       1.83541167    
 H    1.41711640       8.03295040       1.46413362    
 O   -4.79475594       2.85914874       3.65048885    
 H   -5.53706980       2.86789012       3.03252125    
 H   -4.00954962       3.03166318       3.11507583    
 O   -5.77206087       7.17618513       2.76227927    
 H   -6.55677319       6.69004011       3.05292010    
 H   -5.13568354       7.09752893       3.48662972    
 O   -1.05283427       10.1029034       3.90751767    
 H  -0.552920520       9.28111362       4.01865864    
 H   -1.89248466       9.97314453       4.36125898    
 O   -2.86906958       3.85202909       1.84805560    
 H   -3.64221478       4.34509134       1.53611732    
 H   -2.26357031       3.81125784       1.09787321    
 O   -3.07142806       6.34358978     -0.720351875    
 H   -2.69367433       6.85547352       1.34843802E-02
 H   -2.50964904       5.56520462     -0.816323221    
 O   -4.25145102       9.41370487       2.16180420    
 H   -4.93126822       8.72765732       2.21250200    
 H   -4.05720854       9.65728283       3.07518125    
 O   -7.57536221       5.35033989       3.75576878    
 H   -7.50635958       4.63754511       3.10823250    
 H   -7.00412560       5.09041786       4.48949909    
 O   0.360182613       9.20528030      0.713477790    
 H    4.60222997E-02   10.0918789      0.930484116    
 H   0.338151991       9.08458138     -0.245286584    
 O   0.247891396       8.38060093      -1.93539894    
 H  -0.710846126       8.53498650      -2.02799439    
 H   0.649474919       8.63973618      -2.75964856    
 O   -2.39316154       8.79850101      -1.98966503    
 H   -2.79703164       7.97039223      -1.70316732    
 H   -2.66694903       9.48279381      -1.36053121    
 O   -3.65827274       9.58382511       4.94413233    
 H   -3.78113461       8.62611103       5.05531502    
 H   -4.12315416       10.0045452       5.66308832    
 O   -5.08818579       5.30058098      0.844043672    
 H   -5.30975485       6.00315046       1.47236061    
 H   -4.52407026       5.68981504      0.162997067    
 O   -4.01493692       6.85887194       4.94070196    
 H   -3.23519993       6.50424194       4.48597574    
 H   -4.50412273       6.10997820       5.30354118    
 O  -0.811133862       11.5298529       1.64022005    
 H  -0.910879731       11.0617790       2.49095988    
 H  -0.539829195       12.4199524       1.84566772    
 O   0.230280280       7.63274574       4.12243462    
 H  -0.442603320       6.94323492       4.05221081    
 H   0.878739536       7.42272377       3.44059157    
 O   -1.92682397       5.95627165       3.42382312    
 H   -1.92626953       6.62084723       2.71629310    
 H   -2.14894795       5.12043190       2.99696660    
 O   -6.85281563       3.40681028       1.74953997    
 H   -6.26835299       4.04628754       1.30686200    
 H   -7.34321451       2.96205592       1.06322384    
 O   0.660741627       5.95085764     -0.430739373    
 H    1.11834550       6.25726032      0.361045659    
 H   0.548589885       6.72353697     -0.998073816    
 O   -3.01835704       10.6883059      -2.57117506E-02
 H   -3.62066269       10.3592291      0.654376805    
 H   -2.28905487       11.0874691      0.462736398    
 O   -1.30860758       4.11214828     -0.505347550    
 H   -1.05451596       3.43624043      -1.12814009    
 H  -0.558695972       4.73143148     -0.446131736    
          69
 Energy    -248.47622901659923     
  O     17.22931086      9.77046220     -9.85944762
  H     17.96567684      9.21484080    -10.13866074
  H     19.04160333      9.88336563    -13.86715166
  O     13.23794399      8.67399193    -14.11249655
  H     17.04274547     10.35151935    -10.61081964
  H     14.95245684      8.68165297    -13.47271887
  O     17.52383664      7.39175234    -14.99505319
  H     13.33982804      7.92327627    -14.71062079
  H     16.10588848      9.48012313    -12.79894228
  O     14.03681767     12.27593521    -12.14386163
  H     12.84477650      8.34737014    -13.29148240
  H     14.92046431      9.15901544     -7.83005873
  O     13.58041749      4.22074821    -11.25662569
  H     17.50074378      6.47356464    -14.68620535
  H     15.76745344      9.22912001     -9.12332702
  O     12.36609355      7.71198796    -11.68220639
  H     16.95458924      7.90038698    -14.39579410
  H     12.42379248      5.39179339    -15.58659269
  O     16.89022209      6.62916913    -11.56105390
  H     13.66892436     11.55355084    -11.60299115
  H     11.34603031      4.37117833    -16.01051905
  O     16.17340302     10.61418961    -16.13329154
  H     13.64814253     13.08436019    -11.82114176
  H     12.69536552      9.44662920    -11.00128161
  O     11.24255514      5.33664573    -12.51683436
  H     13.89155289      5.01272919    -10.78766111
  H     13.72774990      9.86408977     -9.94231590
  O     15.91899113      7.84215806    -17.11857400
  H     13.68099388      3.48866925    -10.65300494
  H     17.12553049      5.38883264    -12.95039113
  O     13.84590967     11.28257524    -14.83114509
  H     11.81712909      6.96141136    -11.95069181
  H     16.28237829      4.56370801    -13.93751844
  O     19.34256707      9.01283306    -13.58053881
  H     13.12118871      7.34269323    -11.20605971
  H     14.33933024      5.89889913    -15.10793526
  O     15.85552513      8.61282163    -13.14057932
  H     16.48039063      7.32186839    -12.10551987
  H     14.55122723      6.91437711    -16.27942094
  O     14.91065237      8.94116096     -8.75821683
  H     17.73646990      6.99076749    -11.27191397
  H     14.19842660      4.27540247    -13.02359832
  O     11.86273663      4.66693304    -15.26513105
  H     15.33630666     10.90522845    -15.73771208
  H     13.57721361      4.10899754    -14.41852471
  O     13.14750129     10.21405391    -10.62890009
  H     16.00361676      9.76135421    -16.54143250
  H     17.45975098     11.13653961    -15.12197478
  O     17.15761818      4.95069785    -13.81278082
  H     11.92125279      4.82595365    -12.05748310
  H     18.57432712     12.18600535    -14.89952021
  O     13.88553425      6.49369706    -15.72027614
  H     11.32809001      5.10862970    -13.45005772
  H     15.38841151      6.51745434    -10.63478095
  O     14.40835590      4.29554414    -13.96698577
  H     16.59704519      7.66126533    -16.44267675
  H     14.58290438      7.30823874     -9.58308449
  O     18.13670327     11.44427602    -14.49101526
  H     16.32859052      7.69412956    -17.96743450
  H     19.31293077      8.45123014    -11.92484396
  O     14.52289108      6.56859966    -10.20029186
  H     13.49865382     10.39841152    -14.64359979
  H     20.11311356      7.87583006    -10.73475290
  O     19.23073789      8.09336987    -11.02255674
  H     13.86108063     11.73328204    -13.97967439
  H     15.76349662     11.64909332    -12.20754782
  O     16.58928428     11.14802670    -12.18003482
  H     18.90063820      8.38345172    -14.16557606
  H     17.12653146     11.39447473    -12.94367744
          69
 Energy    -248.47616635566476     
  O     -1.68561419      0.21043282      2.34100132
  H     -1.85724689     -0.63236441      2.75231278
  H     -3.70155152      5.48328224      0.67567178
  O     -3.64735547      1.89951590     -3.81400113
  H     -0.79585304      0.48282739      2.62947245
  H     -2.29189120      4.97778724     -3.01372683
  O     -2.28712878      4.29505764     -4.70147737
  H     -4.44543838      1.47025177     -4.11154742
  H     -2.73284742      4.26778053     -1.72106323
  O     -4.77806536      3.95927318      1.08934557
  H     -3.81995556      2.21503913     -2.91006081
  H      2.06268566      3.77241555      4.83970971
  O      2.07664082      3.50364676     -2.63031186
  H     -1.38971161      3.96101876     -4.82631207
  H      2.06401128      4.00924375      3.31115866
  O     -1.33744909      7.00017664      2.31534263
  H     -2.83319299      3.51109417     -4.56264423
  H      0.02500394      4.09215636      0.03042898
  O      0.81888264      1.01356556      3.02970853
  H     -5.63481081      4.04784330      1.49757430
  H     -0.45248803      3.70945611      1.46787584
  O     -1.04021948      1.11567802     -2.96860501
  H     -4.21325351      3.47425253      1.71933265
  H     -4.24880823      3.16486396     -0.47825027
  O      1.98482837      1.60663805      0.57065129
  H      2.02937503      2.55744172     -2.41470827
  H     -3.09206544      2.19015671     -0.82483991
  O      1.71877566      0.82663129     -2.11852651
  H      1.59940585      3.57238909     -3.46442037
  H     -2.72050234      1.79454384      2.66475218
  O      2.82727354      4.80907733      1.99788294
  H     -1.65555683      7.81051831      2.70377950
  H     -2.39872876      3.26576035      2.99867115
  O     -3.07578870      6.17229204      0.42201981
  H     -1.97203182      6.75465969      1.61753613
  H     -1.14520082      2.05149637      0.00407200
  O     -2.26708126      5.04735745     -2.04920891
  H      1.34441594      1.02799389      2.21761336
  H     -1.73179652      0.72836484      0.52820021
  O      1.56633725      3.60113074      4.04421469
  H      1.04916541      1.82908856      3.48990774
  H     -0.10845130      4.18007676      3.55710525
  O     -0.17858622      3.35172591      0.61515516
  H     -1.20829054      1.10810187     -2.01451734
  H     -1.03469927      5.30205348      2.96423248
  O     -3.76497306      2.76872018     -1.21343065
  H     -1.90696520      1.23070778     -3.37766612
  H      0.36210579      6.95473400      1.44582863
  O     -3.12113095      2.66496148      2.76459133
  H      1.24467632      2.23159227      0.63086847
  H      0.94169262      6.40417397      0.12894616
  O     -1.65504229      1.26975579     -0.26521275
  H      2.75614449      2.14249181      0.35332107
  H      0.95416090      4.74179954     -1.78660299
  O     -0.95308825      4.35222294      3.12087887
  H      1.72515316      0.87015485     -1.15189577
  H     -0.51626300      5.26150807     -1.62239192
  O      1.19052008      6.77471527      0.98710842
  H      0.80570482      0.68427871     -2.39106876
  H      0.53806401      2.41096302     -5.43636541
  O      0.37868994      5.30660820     -1.25637290
  H      2.30110066      5.56448952      1.69245731
  H     -0.15892780      2.30019201     -4.06549495
  O      0.22640632      2.92997607     -4.69740245
  H      3.23603100      4.43696593      1.21068976
  H      3.28259959      3.67315920     -1.23290132
  O      3.81225077      3.56715207     -0.42747117
  H     -2.80233384      5.96744249     -0.48079792
  H      4.72457945      3.54829346     -0.70821090
          69
 Energy    -248.47591258400820     
  O      1.59997117     -0.32786284      4.82484904
  H      2.23183088     -0.44709014      5.53039550
  H     -3.18899348      2.82584325      1.40141640
  O      1.24102627      0.26581509     -2.99659327
  H      0.86089494     -0.93428709      5.01150116
  H      0.10445289      2.52636461      3.13255508
  O     -0.52940201     -1.91719574      5.34423078
  H      0.47267752      0.54072963     -2.48156901
  H      0.47234535      2.26098899      1.62679911
  O     -0.81324578      0.69690612     -0.99154284
  H      2.00353055      0.71435152     -2.60797885
  H     -3.48641016      2.46931426     -1.23804914
  O      1.66469168     -2.33740337     -2.29657920
  H     -0.70273453     -2.73732018      4.86654381
  H     -2.34669441      1.59448869     -0.67676817
  O      3.57166546     -1.28903522     -0.39898159
  H     -1.36186407     -1.42565776      5.34675688
  H     -1.80672818     -0.16955957      3.34466193
  O     -2.70178927      2.40549152      4.90258238
  H     -0.88647574     -0.26752979     -0.94520857
  H     -1.04086230      0.80198941      2.38610728
  O     -3.50137496     -3.58573436      2.63355525
  H     -0.05632434      0.94514541     -0.44306994
  H     -0.48412130     -2.27884316      0.07993169
  O      0.28533049      2.23171055      4.88301908
  H      1.88382269     -2.89274211     -3.04045424
  H      0.03340162     -2.31551442     -1.37924022
  O      3.47918762      1.19737501     -1.48609160
  H      1.52508506     -1.43940856     -2.64720436
  H      2.14149840     -0.61016268      3.00678422
  O     -5.00921816     -1.21651392      3.37466745
  H      3.21860627     -1.26124841      0.49958362
  H      1.47620181     -1.48875110      1.93686822
  O     -2.88254971      3.11813573      2.26418493
  H      2.94362705     -1.78880801     -0.93576584
  H     -2.86894355      0.60620621      5.00611401
  O     -0.24007146      2.51191130      2.22735848
  H     -3.03036585      3.12359209      5.43768907
  H     -3.62729428     -0.66133851      4.50209496
  O     -3.20179072      2.00218071     -0.45669744
  H     -2.84918180      2.66431922      3.97578611
  H      2.19784898      1.45571033     -0.15563500
  O     -1.42902541     -0.07839470      2.45960759
  H     -4.08553992     -2.90555499      2.98222517
  H      1.75871376      0.58604581      1.05407810
  O     -0.73633045     -2.10150609     -0.83932654
  H     -3.45430973     -3.43296482      1.67733862
  H     -1.02995682     -5.09301405      3.84186130
  O      2.19805076     -0.85688381      2.07603964
  H      0.66406518      1.34492066      4.94006222
  H     -2.00260260     -3.99643196      3.34224220
  O     -2.79990382     -0.35249086      4.89320271
  H     -0.65478987      2.16628388      5.08363766
  H     -0.33490158     -3.06965156      2.40265668
  O      1.49880934      1.33381202      0.49655940
  H      4.33533639      1.58022249     -1.65464133
  H     -0.56405509     -1.56886382      2.06189580
  O     -1.10376134     -4.15582787      3.68631791
  H      3.63194801      0.30666017     -1.11988283
  H     -2.51465844     -2.65312270     -0.44640811
  O     -0.06685944     -2.36270867      1.80481072
  H     -5.96163166     -1.17108495      3.39753504
  H     -3.64380841     -1.87415273      0.23894212
  O     -3.36898572     -2.76593285     -0.01154967
  H     -4.72831504     -0.81145268      2.53596997
  H     -2.98435183     -0.18340557      1.53386047
  O     -3.85447952     -0.20044634      1.10590131
  H     -1.91421440      3.07117894      2.20074843
  H     -3.85281094      0.54755622      0.49804562
          69
 Energy    -248.47578981789181     
  O     12.10642461     12.00797719    -12.22995878
  H     12.02981640     11.07346417    -12.47749771
  H     20.23674019      6.09602526    -15.38500428
  O     20.12779137      7.72570948    -10.85263702
  H     11.21612015     12.33278813    -12.11262478
  H     18.55049698     13.69987343    -16.19801723
  O     17.69792425     11.37664915    -11.85522259
  H     20.45880875      8.18060039    -11.64817885
  H     17.67335297     12.43062377    -16.09242481
  O     11.83161158      9.31416706    -13.06135487
  H     20.88328504      7.55978105    -10.29541411
  H     12.91746221      7.71908935    -15.95793341
  O     16.17029462      7.06286536    -11.98173578
  H     17.48564113     12.23777343    -11.47655311
  H     14.06234539      8.24481372    -15.06159478
  O     13.57099478      7.74516750    -11.25988255
  H     16.90087265     11.09385978    -12.33203773
  H     15.46513572      9.70658176    -13.54265558
  O     18.68950931      5.96678657    -12.60911169
  H     12.27423381      9.04587707    -13.88276404
  H     14.90135472     11.16095313    -13.50408658
  O     13.93374932     12.46878220    -14.35147486
  H     10.98008372      8.88030608    -13.06267208
  H     13.73890360     10.03834768    -16.27641077
  O     18.09484649      8.93699255    -15.49750332
  H     15.24288531      7.12448506    -11.71195046
  H     14.00907633     11.49812407    -15.88288600
  O     17.63513217      8.96317149    -10.47570626
  H     16.65792786      7.71545556    -11.45914557
  H     20.68992437      8.18811472    -13.85953924
  O     16.90523554     11.11668072    -16.89195586
  H     12.96775658      8.19384170    -11.86007114
  H     20.50035038      9.67645553    -13.49859546
  O     19.82710638      6.81977142    -14.91946479
  H     13.94441310      8.45182144    -10.71324903
  H     16.83648358     13.76437241    -14.36915165
  O     18.16356252     13.09405214    -15.57128112
  H     17.76222994      6.16060123    -12.41988213
  H     16.34533518     14.04998160    -12.92162671
  O     13.14082042      8.40524122    -15.33365470
  H     19.19669298      6.42308606    -11.92587297
  H     15.73033398     13.44050599    -10.77581238
  O     15.36486469     10.48948727    -12.98872954
  H     14.61908555     13.13744311    -14.18999649
  H     16.78292488     14.51535635    -10.41667075
  O     14.16098483     10.84591017    -16.58311331
  H     13.26506755     12.53224195    -13.66183686
  H     13.48892378     12.50484793    -10.96059427
  O     20.90721067      8.85407334    -13.19555447
  H     18.50249209      9.64597540    -14.97971766
  H     14.48520604     11.70905126    -10.10998527
  O     16.07633951     14.05096987    -13.84747553
  H     18.69049972      8.17943984    -15.44213765
  H     19.07860956     11.77394793    -14.59869178
  O     16.59376515     13.81198050    -11.03166584
  H     17.76165216      9.82103189    -10.90715412
  H     18.82861614     11.14948741    -13.21405425
  O     14.24335155     12.60926983    -10.37041171
  H     18.50004818      8.53520153    -10.46650149
  H     15.86857347      9.58885240    -10.04435288
  O     19.30797288     11.01727425    -14.04532922
  H     17.28399661     10.27740302    -16.60608568
  H     15.02587166     10.12307759    -11.21708337
  O     14.99361476      9.93166809    -10.26477737
  H     15.94321282     11.01120213    -16.87050765
  H     16.51820890      8.38068566    -14.88973878
  O     15.68353440      8.13536678    -14.46690046
  H     19.39319084      6.44127678    -14.13337538
  H     15.88717868      7.66619286    -13.64528062
          69
 Energy    -248.47569448526266     
  O     10.02149099      6.29417948    -12.91911741
  H     10.48878490      5.66834333    -13.48460277
  H     15.98760827      6.79639830    -13.60890082
  O     12.99609042      5.47206992     -8.34037725
  H     10.36584260      7.16488088    -13.14736684
  H     13.35497494      5.03986060    -11.87544602
  O     16.98460485      7.94942111    -12.66280551
  H     12.36793694      6.20636528     -8.34074146
  H     14.34831098      5.99124895    -12.57601537
  O     17.13863907      3.93139509    -14.07301483
  H     13.84393385      5.84792614     -8.60420687
  H     10.36991501      4.79619865    -10.14848281
  O     12.75700485     11.04406577    -14.20360469
  H     16.41004224      8.31335341    -11.97530716
  H      9.85874647      5.83042512    -11.19119880
  O     11.03921902      7.49707915     -8.74521836
  H     17.06013916      8.62276956    -13.35252771
  H     17.38249235     10.24136659    -15.34123945
  O     13.04167487      6.89336920    -15.15069264
  H     17.67464774      4.45714143    -13.45032061
  H     15.97367988      9.62855567    -15.15909266
  O     15.49003943      2.91454979    -11.97068265
  H     17.74191460      3.54196819    -14.69948750
  H     12.03204598      8.07850253    -10.18900270
  O     15.20043276     11.13871069    -12.65555507
  H     12.24833534     10.25925317    -13.93746399
  H     12.88193585      7.34689494    -11.27037837
  O     16.99441426      4.37996076     -9.96169135
  H     12.12198853     11.72708657    -14.40327507
  H     18.00310055      6.40002395    -12.30073686
  O     15.32379646      6.51495190     -9.62469696
  H     10.42451932      7.95046550     -8.17579502
  H     17.99112225      5.14511835    -11.39166001
  O     15.41321401      6.13899603    -14.02675412
  H     10.52511554      6.84829476     -9.26276507
  H     15.27522039      9.91083329    -11.31733554
  O     13.77379507      5.90450538    -11.80410732
  H     12.51438864      6.09004337    -15.06880229
  H     14.27996121      8.85809261    -10.80992588
  O      9.86789455      5.61188047    -10.24683784
  H     13.92399266      6.65047431    -14.82946184
  H     13.80875366     10.00138672    -15.39149489
  O     16.79913000      9.85437801    -14.69412845
  H     16.02484470      3.11731369    -12.74810319
  H     13.89635896      8.51571327    -15.79162333
  O     12.56701752      8.21772800    -10.97940556
  H     15.95526884      3.32105130    -11.23011146
  H     12.22541940      4.12965800     -9.17603174
  O     18.33693284      5.49606954    -12.22211016
  H     15.82469789     10.85492696    -13.33399464
  H     11.48240699      2.78061097     -9.04945738
  O     15.21793686      9.09570757    -10.79693077
  H     14.34627732     11.19325749    -13.10159908
  H     12.11454509      8.05824256    -14.06051109
  O     14.37696188      9.35103499    -15.82503894
  H     17.34777069      4.05142901     -9.13852945
  H     11.91336892      8.57505291    -12.59689769
  O     11.72802963      3.45756446     -9.67509623
  H     16.45225922      5.15604096     -9.74237389
  H     12.04283170      4.02430350    -13.72662908
  O     11.59797633      8.66485213    -13.50964558
  H     14.78920115      6.22061868    -10.38110693
  H     11.25102128      3.81718762    -15.03489961
  O     11.63237686      4.48927853    -14.47465235
  H     15.46313565      7.45798183     -9.76897130
  H     13.72593233      3.07580862    -12.16436365
  O     12.79506787      3.33965661    -12.24539271
  H     15.94102250      5.34383145    -14.16624267
  H     12.38171936      3.24707633    -11.37652862
          69
 Energy    -248.47569225921046     
  O     15.25139052     11.76059568    -15.03001204
  H     16.00626528     11.91483103    -14.44933292
  H     17.82296721      9.58810662    -16.35809933
  O     14.63471746      5.94311546    -16.41912498
  H     15.58725721     11.80467551    -15.93326617
  H     16.69254288      8.95084901    -14.38719808
  O     18.35842425      7.54602942    -11.52971246
  H     14.72795311      5.82832374    -15.45924884
  H     15.85148048      8.69413029    -15.67964404
  O     19.19892136      7.66823058    -18.05033409
  H     14.18970575      5.16400215    -16.74481914
  H     13.85945764     10.82822455    -14.52079962
  O     16.42816189      7.05258950    -18.62045011
  H     18.13017020      6.81976112    -12.12935110
  H     12.33596778     10.82571241    -14.25137000
  O     14.41986535      6.77191559    -10.20857928
  H     18.00840385      7.29484054    -10.66652606
  H     17.04906583      4.86636154    -10.24481023
  O     14.81151489      5.85858300    -13.67535118
  H     19.90342096      7.72926637    -18.69019198
  H     17.29995680      4.46480400    -11.71186688
  O     16.67298900      9.43716046    -12.61802600
  H     18.99926244      8.57635619    -17.76575157
  H     14.05935314      7.71798343    -16.34960871
  O     14.26204923      4.19415015    -11.48803570
  H     16.01797763      6.64069873    -17.85347356
  H     13.58539017      9.05780969    -15.64950045
  O     19.59332447     10.94160734    -14.57220562
  H     17.36920723      7.13205320    -18.42437752
  H     19.81370147      7.79536914    -14.23966553
  O     18.72505910      6.73001180    -15.43587286
  H     14.23499442      7.39176600    -10.92638585
  H     19.72621639      8.15970222    -12.75003783
  O     18.38317205     10.07928840    -16.98028936
  H     14.20839930      5.89702196    -10.55621795
  H     18.07812910      5.73083412    -14.05733184
  O     16.73305660      8.62455897    -15.29530371
  H     14.52843447      5.21618485    -13.01175313
  H     16.64842151      5.64077231    -13.45898734
  O     13.10418759     10.26178087    -14.27595121
  H     14.58231644      6.73451654    -13.33262302
  H     17.00672575      6.67733653     -8.34240675
  O     16.90447048      4.15763922    -10.88392291
  H     17.34298101      8.88494002    -12.19188921
  H     16.05371109      6.69914755     -9.56113486
  O     14.09966140      8.68291425    -16.37275120
  H     16.99958674     10.34193747    -12.69016431
  H     16.20723028     12.54208342    -18.32605879
  O     20.14587369      8.41657084    -13.57974453
  H     13.80822021      3.38659859    -11.26445328
  H     15.89179794     11.03476692    -18.16677754
  O     17.58334977      5.49373629    -13.26128814
  H     15.19667356      4.07226384    -11.23951619
  H     13.66525610      8.96188792    -13.04653188
  O     16.97758860      6.55715987     -9.28770200
  H     19.34332364     10.74059588    -15.48189905
  H     15.08010996      8.74395414    -12.48271006
  O     16.30019553     11.80516735    -17.72866558
  H     19.88359194     10.10289436    -14.18307791
  H     17.77886391     12.78310739    -12.78640692
  O     14.20216981      8.33501142    -12.54913741
  H     17.96895930      7.33510493    -15.36301211
  H     18.29996514     11.68282903    -13.74363604
  O     17.50950539     12.01081269    -13.27530776
  H     19.05173502      6.84177963    -16.33506580
  H     14.64447995      9.36016598    -17.97074179
  O     15.19777038      9.57431017    -18.73584333
  H     17.81327380     10.76826798    -17.34215850
  H     15.68464999      8.75574981    -18.90098999
          69
 Energy    -248.47567492939098     
  O      2.73018076     -0.35411487      5.93807862
  H      2.42013199      0.52508829      5.68480692
  H      1.24086843      2.81344933      0.34230685
  O     -0.31630463      1.87673317      7.49146438
  H      3.12297720     -0.77542581      5.16122559
  H     -0.40462027      0.47966493      3.03855801
  O     -1.02443236     -4.77854575      3.97868384
  H     -0.30485426      0.99699743      7.90882882
  H      0.13418645      1.80530597      2.45109617
  O     -2.26117670     -2.78184439      8.02795156
  H     -0.36414784      2.51116257      8.20213642
  H      2.49497878     -0.80120605      0.78108217
  O      1.44296803     -3.96716255      6.85524689
  H     -1.70542106     -4.13127733      3.76008861
  H      3.64047417      0.18848481      1.07824202
  O      3.68443672     -1.66173278      3.66172803
  H     -1.09628632     -4.93154792      4.92800688
  H     -1.61741807      1.68782278      6.11958127
  O      3.02848539     -4.28192398      4.65564756
  H     -2.99030058     -2.62078300      8.62261360
  H     -1.66829420      1.56412486      4.58059615
  O      2.21361166     -1.69711809      8.35556950
  H     -2.39740115     -2.20593905      7.25529306
  H      2.76467058      2.50609048      4.03729129
  O     -0.27864467     -0.57850396      8.65030461
  H      0.68723022     -4.56185539      6.85725077
  H      2.65528116      2.62832759      2.50763744
  O      1.80580250     -2.30987734      1.65582443
  H      2.03710052     -4.20704004      6.12584846
  H      0.67273939     -2.61166932      5.86724678
  O      4.93923886      0.54167099      2.45831979
  H      3.03085584     -1.87151254      2.98036538
  H      1.11786206     -1.16421073      5.65425270
  O      1.35070792      2.28411879      1.12759949
  H      4.25234029     -0.97766351      3.28475345
  H      1.25483682     -5.79294782      2.05305713
  O     -0.34273133      1.43119761      3.20264228
  H      3.41449597     -3.43510055      4.39889364
  H      0.44141094     -4.89720527      3.01460098
  O      2.83066001      0.07843075      0.56436727
  H      2.50610018     -4.57701929      3.89992429
  H     -2.38904982     -0.30315751      5.66751934
  O     -2.18746930      1.42736869      5.38381355
  H      2.02980543     -2.56895156      7.98023347
  H     -1.31129853     -1.41698122      5.74112396
  O      3.29211566      2.56248256      3.23016818
  H      2.56965776     -1.17722190      7.62177110
  H     -3.77254960     -2.54417083      3.20668981
  O      0.40682832     -1.78436240      5.44787161
  H     -0.87245442     -1.32613035      8.55908159
  H     -2.77837095     -2.15193886      4.32663941
  O      1.26606682     -4.95060309      2.50037031
  H      0.61802782     -0.95040585      8.63811965
  H     -1.49045604     -5.85538236      7.29943542
  O     -2.26792329     -1.25657275      5.78517479
  H      0.98273094     -1.91083229      1.97568526
  H     -1.55650509     -4.31352928      7.29881880
  O     -2.86898404     -2.64618506      3.49379084
  H      1.69884450     -3.25902455      1.79154765
  H      0.91466516      2.05504133      6.08929068
  O     -1.18675344     -5.07993757      6.83258925
  H      5.83879344      0.84790267      2.38303401
  H      0.81611929      1.80349350      4.56523272
  O      1.43779690      2.00658200      5.27957135
  H      4.41422232      1.29051684      2.79372280
  H     -1.30526057     -1.74907673      2.85994654
  O     -0.43800599     -1.33071061      2.88541472
  H      1.83300757      1.48105057      0.85984647
  H     -0.06132671     -1.54613001      3.75476070
          69
 Energy    -248.47564055288387     
  O      2.07742156     -0.16027381      0.26685409
  H      2.33179010      0.74500838      0.46800405
  H      6.96291660     -2.16876565     -2.39420639
  O      8.62680053      3.09034003      1.62866960
  H      2.12485955     -0.23811057     -0.69834222
  H      4.23970704     -1.48959216     -5.11728863
  O      5.39912722      1.56775967     -3.72246458
  H      9.45143519      3.05979899      2.10683343
  H      5.04028404     -1.50887596     -3.79283185
  O      8.48105765     -1.45547456     -1.33223728
  H      8.16564521      2.25295703      1.80680372
  H      4.78779417      5.00979633     -0.99716755
  O      3.49420191      2.38533512      0.41602445
  H      5.09827461      0.72345389     -4.08218327
  H      4.55670966      3.88633808      0.04137979
  O      7.44045455      1.00576709     -1.96498423
  H      4.65245545      1.93154023     -3.22553824
  H      3.97198967      6.10628660     -3.24280987
  O      2.39928726     -0.05586417     -2.48293558
  H      8.18999539     -0.55719470     -1.56575926
  H      5.04832130      4.99595321     -3.14074615
  O      6.53648837      4.16302278     -3.57285263
  H      9.37441050     -1.54495143     -1.65579567
  H      5.11111179     -0.36734654     -0.18995271
  O      2.88090962     -2.28809306      1.69258308
  H      4.16130717      1.71178041      0.20170118
  H      6.07564659      0.69316787     -0.79696738
  O      4.13554205      2.79601527      3.00461445
  H      3.57429150      2.55987215      1.36762866
  H      5.91399002     -2.12030226      2.73535113
  O      7.13246541      0.83009309      2.05858506
  H      7.62801257      1.88708765     -1.61157086
  H      4.36742680     -2.04372271      2.80831216
  O      6.06270543     -2.35028619     -2.68128831
  H      6.79329900      1.12310560     -2.67570413
  H      8.13366656      3.48730597     -0.13532468
  O      4.43973035     -0.97313859     -4.34132646
  H      3.01901757     -0.45629297     -3.10217563
  H      6.77182955      3.91792978     -0.71195000
  O      5.15642060      4.60344284     -0.20388522
  H      2.50624944      0.89815022     -2.58896085
  H      7.39714858     -0.98784829      1.61537019
  O      4.20483364      5.31230177     -2.76984246
  H      6.24618217      3.27340830     -3.81668488
  H      7.82841575     -1.87178308      0.43544296
  O      5.41552761      0.54513435     -0.10860286
  H      7.11099721      4.05323560     -2.80547682
  H      3.35700595      3.61272094     -2.57140106
  O      5.17862270     -1.87545535      3.30647653
  H      2.14024724     -2.86594147      1.85417898
  H      3.16731995      2.61776530     -1.40187519
  O      7.63809058      3.56240192     -0.96019476
  H      2.53051491     -1.50304193      1.23205389
  H      5.76028352     -2.23258920      0.37942731
  O      7.33584228     -1.88824619      1.26677082
  H      4.85441885      3.44259925      2.94093581
  H      4.20765146     -2.39391104      0.41160644
  O      3.19087406      2.68459935     -2.36666250
  H      4.48236185      2.05834827      3.51766814
  H      5.88361307      4.80243008      1.55782533
  O      4.96182417     -2.23703616     -0.16846763
  H      6.63648559      0.84160280      2.88801463
  H      7.09088516      4.16355638      2.25568741
  O      6.22943695      4.55907974      2.42695585
  H      6.48071242      0.79737983      1.34218740
  H      5.30913640     -0.29210984      4.02633138
  O      5.48657207      0.62134155      4.31269852
  H      5.55449290     -2.42801620     -1.85967483
  H      5.61033540      0.59394700      5.25786853
          69
 Energy    -248.47546531813629     
  O     -7.06647365     -2.06083599      6.89705020
  H     -7.93783405     -1.68881496      6.71387184
  H     -3.16462960      2.24620417      2.42301118
  O     -8.69155149     -2.57443097      3.78193968
  H     -6.46291833     -1.32523406      7.05805940
  H     -6.14050538     -0.82810098      3.55896597
  O     -6.50019780     -3.88534683      5.00539420
  H     -8.01475892     -3.15049787      4.16341450
  H     -7.66238024     -1.03090442      3.64880000
  O     -5.01148322      0.39886608      0.58797950
  H     -9.19160653     -2.20629385      4.52278088
  H     -4.58776742     -0.02753299      6.43439873
  O     -6.90473643      1.56228824      5.60873411
  H     -6.39372986     -4.75593814      5.37829150
  H     -4.62322302      0.22337780      7.96209670
  O     -6.13996666      4.88750590      0.08238500
  H     -6.65012075     -3.27217389      5.74955322
  H     -3.02875878      4.36862833      1.84949024
  O     -9.35826149     -0.57126976     -0.10697011
  H     -5.00214880     -0.56319365      0.53614101
  H     -1.53026928      4.10926719      1.55636075
  O     -9.71672678     -1.27802490      6.05010061
  H     -5.93620829      0.65086493      0.73313332
  H    -10.76689740      3.84499055      3.26247829
  O     -3.67881953     -0.18020673      4.97587535
  H     -6.94428186      0.90606448      4.89418934
  H     -9.37460860      3.37148812      2.83052310
  O     -4.31784428      2.93888647     -0.45368434
  H     -6.34519433      1.17467881      6.29191094
  H     -4.90466453     -2.37399066      2.53004123
  O     -5.29884274     -2.43231362      0.72091635
  H     -5.53002543      4.17268093     -0.17437734
  H     -5.33722566     -2.88280770      3.94349085
  O     -3.77722162      1.60288067      2.80096318
  H     -6.28470639      5.41656816     -0.69735923
  H     -8.50061283     -2.03712920      0.55586645
  O     -6.97852693     -0.35074916      3.59584949
  H     -8.77668184      0.07051591      0.33186536
  H     -8.32583538     -2.72265881      1.92873783
  O     -5.17851135      0.05422179      7.20619582
  H    -10.24418734     -0.23301649      0.00057636
  H     -8.74958397      1.55620627      5.60606118
  O     -2.39171235      3.70245564      1.53381349
  H     -9.75598914     -0.33462298      5.80888347
  H     -9.93334923      1.89736309      4.67786785
  O    -10.18351399      3.08947554      3.28359964
  H    -10.47634621     -1.44900178      6.60036505
  H     -5.01603754      5.36392163      1.60063888
  O     -4.83370832     -2.20235648      3.47774634
  H     -3.92182870     -0.98477212      4.49707723
  H     -4.86049507      4.80571713      3.02720207
  O     -7.96118755     -2.68086204      1.03673434
  H     -3.60947067      0.50528300      4.29906460
  H     -5.04882194      2.71844298      3.50165409
  O     -9.67025039      1.33108636      5.41437788
  H     -3.55128935      3.16735747      0.08671015
  H     -6.12450725      2.86498283      4.60056245
  O     -4.41088191      5.33253613      2.35193964
  H     -4.51814193      2.01569956     -0.25201088
  H     -7.43639237      0.57367093      2.12524097
  O     -5.69958088      3.33317343      3.87017060
  H     -6.26518689     -2.53773472      0.80196399
  H     -7.70757866      1.97580937      1.49907864
  O     -7.59431536      1.04071097      1.29117644
  H     -5.00794097     -3.06455014      0.06942505
  H     -7.06991067      3.61125956      2.73693386
  O     -7.74816751      3.70987462      2.05149413
  H     -4.17351962      1.12551974      2.05870478
  H     -7.32873937      4.17928970      1.31975316
          69
 Energy    -248.47540918246978     
  O     11.93959557     11.03933232    -14.51568496
  H     12.22053289     10.37015097    -15.15670575
  H     19.04313111      8.25867306    -13.06566637
  O     16.14381749      6.80222734    -13.42936426
  H     12.56155691     11.76967540    -14.60759669
  H     15.07863638     11.22557015    -17.44718990
  O     17.78884320     11.22917542    -11.99476637
  H     17.04685397      6.97613532    -13.14451070
  H     16.28578027     11.33918306    -16.50456111
  O     17.42192101      9.99162410    -15.79703898
  H     15.57320704      6.85123573    -12.64779514
  H     14.43475202      9.14471655    -14.98010217
  O     12.53453889      6.37956088    -15.65656340
  H     17.77194771     10.91359793    -11.07974966
  H     15.44960475      8.35281532    -14.08481932
  O     15.02639336      9.63771230     -8.48565433
  H     16.87411096     11.40977950    -12.24352124
  H     10.41510502      9.86195960    -12.04815679
  O     14.42826302      7.21350152    -11.32963349
  H     16.63445636      9.72916111    -15.29376399
  H     11.52272542     10.20519090    -13.07252420
  O     15.10515498     11.42455036    -12.77106234
  H     18.15004417      9.99936740    -15.16844982
  H     18.63423920      7.35695650    -10.89356228
  O     16.41899242      8.13881690    -17.70075825
  H     11.88484937      5.72405668    -15.89491331
  H     19.27799176      7.00414527     -9.53740375
  O     15.81598560      6.92175145     -8.98044325
  H     12.40616667      6.56994620    -14.70921562
  H     12.94378360      6.93121709    -12.43328704
  O     15.37599908      6.15065704    -16.05506730
  H     14.51317907      9.78648569     -9.29769493
  H     11.82837233      7.91124770    -12.83219201
  O     18.86472889      7.36720733    -12.72421014
  H     14.55315265     10.06968924     -7.77918432
  H     18.79366959     10.43261914    -13.06512315
  O     15.49343030     11.80708231    -16.79906817
  H     14.84577804      6.94590151    -10.49914488
  H     20.16984484     10.38928685    -13.77600664
  O     15.18187372      9.23354432    -14.37513494
  H     14.23865022      8.15715617    -11.24461906
  H     16.79517796     10.02296505     -9.07484349
  O     11.32181961      9.67748253    -12.27785298
  H     14.75084349     12.11116409    -13.34701410
  H     17.99624691      9.19992839     -9.57087546
  O     18.49707011      7.38393525     -9.93508641
  H     15.13759972     10.62038241    -13.31574779
  H     14.27996461      9.71852434    -19.42417892
  O     12.21978493      7.05970123    -13.05972698
  H     16.93809639      8.70187182    -17.11298919
  H     15.14933250      9.13055554    -18.28426162
  O     19.35104965      9.91152839    -13.67601967
  H     16.09870534      7.39498110    -17.16861771
  H     12.85179643      9.86967099    -11.26398304
  O     17.66749823     10.10193602     -9.47937496
  H     15.56063928      7.79551450     -8.65606301
  H     14.23618374     10.53465815    -11.47653634
  O     14.41116668      9.73795583    -18.48083119
  H     16.73818212      7.00073824     -9.25383117
  H     13.95311462     13.92170539    -15.03359674
  O     13.74261573      9.93620448    -10.89705260
  H     14.41472408      6.12857922    -15.98196052
  H     14.54454045     12.59500453    -15.55988019
  O     14.01827716     12.99020799    -14.84172763
  H     15.69928656      6.22358320    -15.14746301
  H     12.78625680      8.14392593    -16.12081749
  O     13.01068721      9.08248567    -16.15821809
  H     19.39714971      6.76557785    -13.24120433
  H     13.40202399      9.27092283    -17.02097569
          69
 Ord_Energy   -248.475143    
 O    3.01237178       4.65387583     -0.880993903    
 H    3.23104787       5.31929255     -0.213261724    
 H    2.10253572       4.37517548     -0.702473938    
 O   0.107121862       4.68276834       2.63281059    
 H  -0.809656739       4.79572535       2.87284040    
 H   0.575809836       5.46262693       2.97636437    
 O    6.62670469       4.56571627       4.77661514    
 H    5.89099884       4.66428471       4.15311098    
 H    7.44200802       4.67107439       4.26672935    
 O    7.71673632       7.59646463       2.21684265    
 H    7.31373453       7.17533970       1.43855774    
 H    8.29946995       8.27665138       1.88632262    
 O    5.17779827       2.34751463       2.22072959    
 H    4.74918985       2.16137624       1.37726617    
 H    4.76177073       3.15486717       2.56275511    
 O    6.54252768       6.14573669      0.217110664    
 H    6.25295877       5.97734165     -0.691658497    
 H    6.82112980       5.28415918      0.559644818    
 O    8.68556213       4.99780130       3.03075409    
 H    8.49255276       5.91027069       2.78300095    
 H    8.41269016       4.45004034       2.28212428    
 O    1.57026839       2.34744000       3.31370258    
 H    1.08127522       3.16815543       3.16784358    
 H    2.02380610       2.43655539       4.15756464    
 O    1.41873693       6.76191998       3.75828648    
 H    1.98454130       7.45006084       3.39157772    
 H    1.89605999       6.38740158       4.51217413    
 O   0.618324637       3.64807034       1.52065903E-02
 H   0.851930976       2.73751426      0.230668023    
 H   0.414984226       4.07109356      0.859490395    
 O    3.01971292       5.42846441       5.59007168    
 H    2.97215343       4.48947048       5.81605339    
 H    3.81781578       5.79726124       5.98925543    
 O    5.54750252       6.46813679       6.35331297    
 H    6.03692913       5.76463985       5.89014864    
 H    6.00483084       6.63163805       7.17386675    
 O    3.89917350       6.45459461       1.02200270    
 H    3.67351174       7.28544950       1.45744443    
 H    4.83139706       6.48213148      0.763141274    
 O    1.70153451       1.10287213      0.914558768    
 H    1.24023974      0.271158308      0.978969216    
 H    1.70628750       1.49029291       1.80893683    
 O    3.98558688       2.11876488     -0.316229820    
 H    3.21713185       1.63502252       1.28139397E-02
 H    3.67701912       3.01605082     -0.516863823    
 O    5.51780939       5.14029217      -2.11606646    
 H    5.90415955       4.25688457      -2.08643770    
 H    4.58535051       5.02131128      -1.88710952    
 O    5.57566595       8.19278526       4.02833462    
 H    5.61139631       7.66715622       4.83491230    
 H    6.34919739       7.96285248       3.49872088    
 O    3.29365492       8.63090611       2.66037965    
 H    3.15596414       9.56783199       2.55189157    
 H    4.10414553       8.52208328       3.19042754    
 O    2.96300530       2.63714767       5.83982420    
 H    3.85724974       2.36183524       5.56980419    
 H    2.69571376       2.04952717       6.54187250    
 O    7.34578323       3.57476044      0.968287289    
 H    6.68168163       3.12537861       1.51065707    
 H    7.26423597       3.18584728       8.91843364E-02
 O    6.45299196       2.45993352      -1.49619758    
 H    5.58504772       2.22471285      -1.12573576    
 H    6.70656919       1.74439371      -2.07382083    
 O    5.45353746       1.99778485       4.98214436    
 H    6.01157045       2.77942204       5.08829117    
 H    5.40243149       1.85867727       4.02608824    
 O    4.34541512       4.77945805       3.17835450    
 H    3.76812387       5.01691818       3.91284204    
 H    4.12999773       5.36289263       2.44028211    
          69
 Energy    -248.47485295367957     
  O     14.05754725     14.62861442     -9.78564720
  H     13.61212507     14.80995181    -10.62365544
  H     12.80725013     14.03137186    -16.98452688
  O     14.90696118     11.72003752    -16.71125094
  H     13.81496520     13.73157650     -9.52883216
  H     12.39078374     12.23568810    -13.42138251
  O     17.17408891      9.92602638    -10.51289093
  H     14.80508997     10.90579071    -16.20052587
  H     12.30581848     13.24822357    -14.58509610
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  H     15.85206199     11.91183775    -16.72360139
  H     18.10582409     14.30968705    -11.57197598
  O     17.37267255      7.31838868    -11.32941326
  H     17.36421384      8.99773924    -10.71100193
  H     19.56802817     14.76032207    -11.78951917
  O     17.87904396      7.27768658    -14.15063558
  H     17.58953006     10.45785273    -11.20383336
  H     13.45801594     11.82419264     -7.93134788
  O     15.58915000     12.59277617    -12.80775857
  H     14.85898978      8.60603291    -14.78022321
  H     14.80790590     11.92229967     -8.67887719
  O     14.39550304      9.75556182    -10.59703461
  H     15.92553354      9.72360769    -14.85186818
  H     17.73017694     12.97816727    -15.89500035
  O     17.79500283      9.97025217    -14.80450039
  H     16.43793047      7.08028715    -11.29201087
  H     18.24736821     12.46121167    -17.25592235
  O     17.67536605     14.35485298    -14.81720409
  H     17.62646768      7.25076306    -12.25808545
  H     14.77024089      6.91954438    -13.21871041
  O     13.47427102     10.80970018    -13.00455622
  H     18.55440883      6.81118445    -14.63728264
  H     15.98024939      6.88585634    -14.17532807
  O     13.23582132     13.74944190    -16.18127256
  H     17.91843134      8.20380490    -14.43945024
  H     16.72197936     12.75149125     -9.31093748
  O     12.01437304     13.08874696    -13.67876442
  H     14.82442918     12.00622937    -12.83832547
  H     16.88827146     11.22121943     -9.20515112
  O     18.86389638     14.24883794    -12.17923390
  H     15.40448758     13.33740152    -13.39350513
  H     17.18157998     11.86031435    -12.74865579
  O     13.84254628     11.86306875     -8.80389360
  H     14.06267684     10.41141830     -9.97185199
  H     18.60909348     12.34235421    -12.43999111
  O     17.71666457     12.21678996    -16.50193359
  H     15.36119644      9.84196578    -10.59705074
  H     12.24428025     15.92521743    -12.32699298
  O     15.01604094      6.93510823    -14.15229385
  H     17.84095784     10.63780057    -15.50032542
  H     12.52675429     14.46363626    -12.74850595
  O     16.55486414     11.99633924     -8.73251721
  H     18.00818275     10.44003972    -13.98454002
  H     13.92636283      6.53480384    -10.80138285
  O     18.08800229     11.54627597    -12.58769818
  H     16.78808762     14.70966049    -14.67146982
  H     14.36445700      7.99597756    -11.03463210
  O     12.91839138     15.24996983    -12.32680504
  H     18.12668816     14.39170496    -13.96611890
  H     16.21421451     13.51168791    -11.36807033
  O     14.50175320      7.08183977    -11.33092074
  H     13.92474478     10.32410634    -13.71094536
  H     15.80515367     14.48017155    -10.25732375
  O     16.58148833     14.08549931    -10.67889838
  H     13.69047214     10.37522051    -12.16933895
  H     14.39057595     14.59169494    -15.00393058
  O     14.95856307     14.89690606    -14.28265311
  H     13.80711107     12.99580410    -16.41719305
  H     14.36625697     15.18769537    -13.57735396
          69
 Energy    -248.47483023287282     
  O     -1.13085062      3.18369344      2.58869860
  H     -1.31783789      3.84064122      3.27104349
  H      1.40837399     -0.21269708     -0.32637446
  O     -2.87583323      5.94424174     -0.16097749
  H     -0.54533667      3.61344474      1.94391486
  H     -0.68980480      2.87714779     -2.50989245
  O      3.54872756      6.85186619      0.41309299
  H     -3.58410851      5.89878106     -0.81441640
  H     -1.31334925      3.76084333     -3.61446746
  O      1.34643944      6.70370017      2.19137012
  H     -2.04734699      6.00802037     -0.66302573
  H     -3.57834778      0.37693554     -3.33948374
  O     -0.49216598      5.78071152     -1.45982193
  H      3.74392692      5.95733393      0.74529120
  H     -2.75400453      1.28388503     -2.39806845
  O      2.34012074      2.85853210     -0.56612734
  H      4.33871811      7.37053093      0.54152830
  H      3.46553851      2.55243472      4.23890416
  O      0.53427766      4.44544094      0.75693790
  H      0.45530531      7.03855746      2.00441935
  H      2.25052879      2.40655912      3.29749046
  O     -1.37242838      7.06423141      2.03393156
  H      1.97918711      7.02227154      1.54003587
  H     -5.01853999      4.43701072     -1.79582193
  O     -1.37102589      1.68531406     -1.29086920
  H     -0.56084013      5.06310498     -2.10219849
  H     -5.61964171      5.72778965     -2.40088794
  O     -1.40114135      5.31207030      4.36883249
  H      0.33901441      6.24378033     -1.64088985
  H     -3.60745046      4.48144676     -3.46808366
  O     -2.85667352      3.22063850      0.47244003
  H      2.39950478      3.20742232     -1.46396244
  H     -3.33087855      3.00119774     -3.78927834
  O      0.93551535      0.57767247     -0.07672965
  H      1.71819363      3.42205766     -0.07544581
  H      0.15488626      1.88750854      2.79518646
  O     -0.48090545      3.56197145     -3.16014430
  H      0.90362305      5.13803988      1.32104652
  H      0.93874800      0.98821693      1.82439956
  O     -3.54262520      1.25325852     -2.96468363
  H      0.10966315      4.89559438      0.01426862
  H      1.27457604      3.81944452     -3.26410680
  O      2.92149851      3.03329478      3.61973636
  H     -1.99158074      6.75897940      1.36041929
  H      2.63491352      3.78910064     -3.99776514
  O     -4.79541529      5.31134174     -2.16211737
  H     -1.53030814      6.52285277      2.81734518
  H      1.85290457      4.46535611      4.30406489
  O     -3.05060668      3.90096314     -4.00060696
  H     -0.65216581      1.23402462     -0.83397342
  H      1.42781503      5.84423813      3.76651684
  O      0.96584200      1.36572129      2.70975750
  H     -1.85547657      2.21830589     -0.64185602
  H      3.66126923      3.92848697      2.11824944
  O      2.23062541      3.96041396     -3.15091454
  H     -0.43793363      5.28653210      4.51906878
  H      3.58757920      3.70279308      0.60018157
  O      1.29834209      5.22762097      4.50373341
  H     -1.80644675      5.49650623      5.21154441
  H     -4.44234491      2.85403576     -0.43542022
  O      3.95047099      4.29306182      1.27243109
  H     -2.39955463      3.09807513      1.31481291
  H     -4.75610585      2.17250445     -1.77568215
  O     -5.10842605      2.80330933     -1.13628588
  H     -2.86181323      4.17230887      0.29656009
  H      2.61530236      6.71220753     -1.20152192
  O      2.04568445      6.61290918     -1.97530037
  H      1.51940256      1.33054847     -0.27664430
  H      2.28716003      5.77931993     -2.39588910
          69
 Energy    -248.47481481467807     
  O     13.77464837     12.01843569    -16.10604360
  H     14.45802719     12.21893588    -16.75763791
  H     19.70461848      7.74040756    -14.84764554
  O     18.93351100      7.94263950    -10.35069545
  H     14.16953379     11.34801854    -15.52759565
  H     18.08969608     12.22250947    -15.03202013
  O     16.03632172     11.02453220    -12.40241950
  H     18.01482467      8.18714590    -10.55194312
  H     17.03663038     13.32364516    -14.83152433
  O     12.27674815      9.64416155    -16.84876973
  H     19.01003437      7.92149392     -9.40010439
  H     13.74159510      7.87168983    -19.10582029
  O     16.75849856      6.98161509    -13.57985105
  H     15.67631038     10.68972426    -13.24231476
  H     13.41711885      8.77003146    -17.89870887
  O     14.15647299      6.16004669    -13.44883367
  H     16.19442754     10.24809412    -11.84878536
  H     14.24223012      9.38434996    -14.56478049
  O     18.99105860      5.92918197    -12.40864559
  H     12.61445993     10.53139808    -16.67822157
  H     15.46642847      9.70699606    -15.49076932
  O     13.15625247     13.66923012    -14.00612848
  H     12.29046187      9.18068469    -16.00008646
  H     16.28713327     10.37843369    -17.41442993
  O     18.20362536      8.59543211    -15.36113881
  H     17.47536888      6.47112297    -13.17277641
  H     15.59556393      8.99542113    -17.62142904
  O     16.39992872      8.52364160    -11.25942384
  H     17.16076539      7.53686816    -14.25912972
  H     13.87150951      6.99947215    -11.70999830
  O     16.12535282     12.22509951    -17.66349458
  H     15.09082869      6.41195346    -13.54794479
  H     13.11397333      8.21527535    -11.15344245
  O     20.46890419      7.34725094    -14.39344702
  H     14.10568986      5.22315405    -13.62037338
  H     19.96169544      8.94450274    -11.60831592
  O     17.56620313     12.87762457    -15.50858318
  H     19.07574598      6.48584608    -11.62429149
  H     20.57171316      8.69628703    -13.00121079
  O     14.14290239      8.33122249    -18.37380508
  H     19.61720367      6.28200507    -13.05503437
  H     16.05151375     12.91659797    -12.89239224
  O     15.00153838      9.97059434    -14.68570342
  H     12.56870152     14.38486001    -14.23441387
  H     15.03505842     13.85471502    -13.56328849
  O     16.28631574      9.45768560    -17.12320294
  H     13.29976766     13.15220490    -14.81667919
  H     13.13557686     12.39921505    -12.61840924
  O     13.84041943      7.60948321    -10.96249607
  H     17.63443086      8.81170668    -16.11133144
  H     14.21180218     11.50650121    -11.96820170
  O     20.36440768      9.39058296    -12.36366259
  H     18.31652200      9.41070879    -14.84870581
  H     19.24470232     10.47074402    -13.24470632
  O     15.97748862     13.73467285    -13.39893908
  H     15.51619392      8.24976095    -10.97289868
  H     17.77245071     10.97755401    -13.22857311
  O     13.26303235     11.67617986    -11.99168926
  H     16.55509115      8.06673844    -12.09862274
  H     12.32000223      8.73894723    -13.53326201
  O     18.54137777     10.84694422    -13.79514454
  H     16.68253665     12.49792108    -16.90947425
  H     13.13787566      7.55488464    -14.11848165
  O     12.73419816      8.40433237    -14.34008107
  H     16.41656722     12.72731017    -18.41905275
  H     10.96273254      9.56984240    -11.49740612
  O     11.81677585      9.40802868    -11.88860830
  H     21.12069771      7.16135507    -15.06450937
  H     12.29354747     10.25777095    -11.89064872
          69
 Energy    -248.47479757176222     
  O     12.15062957     11.27878717    -14.48258367
  H     11.64767041     10.77109212    -13.83583388
  H     14.91373092      5.89266867    -15.55361811
  O     15.37274574      6.22764650    -13.77412631
  H     12.47079968     10.64254426    -15.13820320
  H     16.81436584     11.29286765    -15.46486827
  O     16.75202108      9.64739560    -10.39630542
  H     16.30522223      6.04242759    -13.61923206
  H     15.55180869     12.16971162    -15.28197765
  O     17.76329567      9.99523469    -14.56477094
  H     15.30993200      7.18562277    -13.92656471
  H     16.07758442      9.28686219    -14.43182615
  O     12.02460337      6.93596946    -16.32525976
  H     16.14604221     10.08838723    -11.01006940
  H     14.58733675      9.09979512    -14.90780760
  O     14.79108510      8.61704363     -8.71769746
  H     16.19872038      9.35175860     -9.66005059
  H     11.51821477      9.50514736    -11.86701813
  O     13.51762061      6.49670114    -11.74130366
  H     18.16267619     10.15738824    -13.69758759
  H     10.01914782      9.82864162    -12.05737537
  O     14.87492295     10.66091680    -12.14495675
  H     18.23277122      9.25472508    -14.96550546
  H     17.17189472      7.84656968    -10.76721714
  O     16.67479934      7.72038787    -17.29896174
  H     11.82771797      6.94405963    -15.37061746
  H     17.66516619      6.71073875    -11.69916366
  O     15.13313354      5.87293896     -9.52387064
  H     11.25071780      6.59131747    -16.76204350
  H     12.11936321      6.77500032    -12.99166963
  O     18.80567859      7.62776802    -15.70613824
  H     14.03955147      8.86641575     -9.26975607
  H     11.19400777      7.95475475    -13.35301863
  O     14.70288543      5.96645045    -16.49429977
  H     14.86968155      7.66013144     -8.81713007
  H     18.18168841     10.12843030    -11.37150260
  O     16.14020279     11.79269449    -15.94642519
  H     14.16524394      6.33878706    -12.44432533
  H     19.53625439     10.81400069    -11.60273752
  O     15.21735855      8.90963114    -14.20046930
  H     13.92986935      6.17534337    -10.93002399
  H     18.72750833      5.30705777    -13.50158171
  O     10.82456016      9.64454367    -12.53441984
  H     14.74173379     11.49644094    -12.60549885
  H     18.43627541      6.63989960    -14.21800301
  O     17.27198897      6.88820302    -10.83876095
  H     14.95773272      9.98731542    -12.83864463
  H     15.63239878     10.80996804    -17.28035587
  O     11.52470960      7.10798037    -13.67549414
  H     16.24430937      8.53191790    -17.58713490
  H     15.35780859     10.62524542    -18.79307412
  O     18.83448686     10.35170526    -12.05396691
  H     15.97342721      7.08231679    -17.09786739
  H     13.59543742      9.72307861    -11.28394069
  O     18.19141001      6.09594441    -13.45369959
  H     15.38149995      5.12135761     -8.99307840
  H     13.17191593      8.22318955    -11.20089150
  O     15.32790948     10.17411970    -17.95393448
  H     15.93617009      6.16473291     -9.99408432
  H     13.50132963     12.29256810    -14.13403063
  O     12.94845818      9.11535482    -10.89580774
  H     18.04086263      7.62314132    -16.31362810
  H     14.09852043     13.68786712    -13.82667748
  O     14.32747689     12.76785474    -13.92665145
  H     19.58868774      7.60826875    -16.24953511
  H     13.88946192      9.62272184    -16.92890628
  O     13.30830852      9.41385229    -16.18671755
  H     13.76748204      6.19717121    -16.52771861
  H     12.86479746      8.57404684    -16.36189270
          69
 Energy    -248.47474069316434     
  O     15.78467950     10.20278569     -9.37556899
  H     15.96406694     10.56553162     -8.51176306
  H     14.01807867      8.02472675    -14.12852929
  O     12.25509755      6.60896990    -11.60269608
  H     16.54537160      9.64123568     -9.60919584
  H     15.47634104      5.12523035    -15.46133463
  O     17.21066925     10.28965029    -15.33968753
  H     12.78033973      5.82532606    -11.80274860
  H     14.41640177      6.03313315    -14.77375301
  O     17.50236448      8.92046354    -12.96029792
  H     12.79615889      7.12927518    -10.99323365
  H     16.54057060      5.91161491    -13.88079907
  O     16.17227733     12.55351692    -14.06524016
  H     16.41384889      9.92469148    -15.74879513
  H     18.06334645      6.05397542    -14.12476102
  O     14.27314599      7.97964107    -10.23688784
  H     16.95133344     11.13180543    -14.94273586
  H     14.50502525      8.61076317    -11.92984258
  O     14.85100293      9.30753666    -16.59137679
  H     17.54133253      9.42548559    -13.78231950
  H     15.67093643      9.06551060    -12.84532313
  O     13.86805606     11.62684107    -15.52607815
  H     17.50268450      7.98206745    -13.20089065
  H     14.41424498      4.66156184    -13.06028971
  O     16.58812339      5.27889016    -16.85439144
  H     15.92608938     12.36564870    -13.14173129
  H     13.95218149      3.53939783    -12.10498453
  O     11.06766879      8.02668571    -13.58563748
  H     16.50615684     13.44681498    -14.07854775
  H     13.32350652     10.09580530    -13.10735736
  O     16.19738378      6.03583965    -10.92557970
  H     14.98169484      7.33008408    -10.35757199
  H     11.84925040      9.77156959    -13.41924763
  O     13.54548313      7.58257809    -14.85352551
  H     14.66215326      8.75755248     -9.81750934
  H     20.01071560      5.67293411    -15.78622461
  O     14.98485417      5.26092242    -14.63784408
  H     14.36331823      8.65207830    -16.07418414
  H     19.03498707      6.84960849    -16.03135186
  O     17.36611536      6.20934942    -13.47477031
  H     14.46246400     10.16824781    -16.37387547
  H     17.36984698      7.56818901    -10.23290741
  O     14.71375124      8.95637806    -12.80718199
  H     14.59684307     12.05333478    -15.05852572
  H     17.76870693      8.72955486    -11.15803288
  O     14.11877738      4.47781520    -12.15225543
  H     13.25865057     11.32564719    -14.83966048
  H     16.07093194      7.90524854    -19.21532333
  O     12.46898680     10.50290484    -13.31921576
  H     16.43906711      6.05205042    -17.41277238
  H     15.74721827      8.33921960    -17.76833463
  O     19.11594633      5.96360112    -15.63368887
  H     17.48987462      5.36783833    -16.52259828
  H     15.54235726     11.46885490    -10.82278596
  O     17.69414709      8.47486433    -10.22554648
  H     10.15041705      7.78116155    -13.66674958
  H     14.43988232     12.35873187    -11.43641910
  O     16.30839451      7.75291030    -18.30412139
  H     11.43215372      7.51194437    -12.84206458
  H     17.95518842      8.17244953    -17.44202618
  O     15.37101464     12.10724472    -11.52246672
  H     15.49991241      5.40591872    -11.14690575
  H     18.34527354      9.12217192    -16.29852971
  O     18.65578322      8.36014927    -16.80403608
  H     16.73329686      6.08970655    -11.72986388
  H     12.45142319     11.88026794    -12.14132582
  O     12.63602886     12.59658874    -11.51266933
  H     12.61019733      7.65575980    -14.63259160
  H     11.99144303     13.27630494    -11.69275924
          69
 Energy    -248.47443379049787     
  O     13.91414633     11.48938925    -14.11801451
  H     14.68357759     11.19446564    -13.60720754
  H     19.76749967      7.77461697    -14.52290527
  O     15.21658020      5.95972216    -14.00401175
  H     13.66118383     10.75828098    -14.69923385
  H     15.51915183     11.20585460    -16.93483960
  O     18.10585644      8.79694871    -11.66316579
  H     14.74646906      5.90112170    -14.84868842
  H     15.30321583     11.93458773    -15.59126939
  O     18.50625670     10.87600836    -15.97967002
  H     14.57826738      6.18464020    -13.31136432
  H     15.68235066      7.61158555    -14.50848473
  O     15.13518467      8.06724299     -8.76560365
  H     18.10918826      8.64324572    -10.71064137
  H     16.54843262      8.46166919    -15.48112796
  O     13.58594531      6.82105965    -11.92710114
  H     17.91137867      7.94336072    -12.07683701
  H     12.59876445     11.23547951    -12.87260875
  O     16.01852444     10.24986295    -12.73955432
  H     17.59688796     11.22219769    -16.02253757
  H     11.36062936     11.57589447    -12.01277702
  O     15.87400181      7.42488692    -18.36290899
  H     19.06237620     11.53382275    -16.38991693
  H     17.50028996      5.64702085    -11.13213779
  O     14.58273456      5.40495877     -9.72061814
  H     14.71345696      8.62790244     -9.43128697
  H     17.58715894      6.28697953     -9.73177438
  O     17.92511692      8.24199869    -16.71952236
  H     14.83782413      7.16824947     -8.95105439
  H     12.22917967      7.67662102    -12.96732964
  O     14.00253502      6.34677878    -16.46348466
  H     13.80627872      6.23506167    -11.19186239
  H     11.66578404      9.11712814    -12.99614924
  O     19.61267831      6.89563670    -14.91766074
  H     13.78091275      7.71726077    -11.61745124
  H     19.25638271      9.33095384    -13.03634597
  O     15.96620932     11.73653272    -16.25748313
  H     15.96219478      9.66745733    -13.51451063
  H     19.29648235      9.99489726    -14.44418607
  O     15.85773329      8.51294846    -14.81227240
  H     16.79107800      9.93222518    -12.25468548
  H     18.37222850      6.33170920    -13.58560159
  O     11.99228177     10.88594206    -12.19893939
  H     16.18436921      7.07175215    -19.19338388
  H     16.87414056      6.03834856    -13.28350537
  O     17.25518895      5.51530318    -10.20650941
  H     16.66207750      7.67673548    -17.85386417
  H     16.87348310      8.11943316     -8.83790189
  O     11.75797936      8.31276293    -13.52068742
  H     15.53782076      5.36071612     -9.90743703
  H     18.24933225      8.26948942     -8.14418896
  O     19.75189103      9.37139163    -13.86560108
  H     14.35438419      4.60171555     -9.26081668
  H     13.94629050      9.74264471    -17.27591344
  O     17.72349676      6.26218133    -12.87602669
  H     18.20119341      9.16000893    -16.58848637
  H     15.00375490      9.17189105    -18.22855166
  O     17.83598720      8.05469169     -8.97571739
  H     18.51739218      7.68506396    -16.19754252
  H     14.78028244      9.72362482    -11.53644275
  O     14.60160823      9.99859371    -17.93974541
  H     14.62582036      6.60115186    -17.15646370
  H     13.28464825      9.93849185    -11.20435000
  O     14.05846629      9.41232077    -10.97169560
  H     13.45591839      7.12633529    -16.32322482
  H     14.18310287      8.87444163    -15.37829532
  O     13.27887494      9.11985893    -15.63227451
  H     20.46581342      6.48315789    -15.02365103
  H     12.67535244      8.80408513    -14.94238492
          69
 Energy    -248.47433485224707     
  O     -0.47226655      3.63939498      2.92877101
  H     -1.05227981      3.08021966      2.39340009
  H     -2.11401224      7.73479554      0.43101689
  O     -3.05982574      4.70139018     -0.23849242
  H      0.28017533      3.10872261      3.21666512
  H      2.63301316      2.51864491      0.52831751
  O      3.12708160      7.26494602     -0.41583920
  H     -3.18881015      5.34716699      0.46929525
  H      1.46204853      1.53825545      0.30556166
  O      0.95015247      7.81670682      1.14191710
  H     -2.35885894      5.05618952     -0.79994419
  H     -0.41544856      4.28464063     -2.51358328
  O     -0.83032119      5.80974926     -1.59276612
  H      2.71288952      7.21368383     -1.29085548
  H     -0.85098039      2.94661395     -3.18161500
  O      3.02032624      4.32773471      0.00505739
  H      3.38283222      6.36060485     -0.21193322
  H     -2.59368736     -0.10484962     -1.32668816
  O      0.46706259      5.09987569      0.68267044
  H      1.76407182      7.76368489      0.61631658
  H     -1.93120679     -1.30493381     -2.04771111
  O     -3.12276552      6.69369748      1.73242650
  H      1.19884013      7.74276048      2.07087652
  H      2.70502592      3.97966150      3.22829637
  O     -0.04150244      1.47967836     -0.77268599
  H     -0.33253670      5.46286872     -0.83247683
  H      3.24928993      4.70789642      1.99052070
  O     -1.16684263      6.22279718      3.55343925
  H     -1.12888406      6.69117680     -1.31793649
  H     -4.08241433      3.65253371     -1.29727265
  O     -1.99342417      2.39566537      1.00846382
  H      2.11022550      4.58849911      0.22578838
  H     -5.32197485      3.39710094     -2.18219725
  O     -1.48621384      8.05410546     -0.22775581
  H      3.02920400      4.17028304     -0.94806445
  H     -2.18191923      1.11818632     -3.08980388
  O      2.22176027      1.71774980      0.87523404
  H      0.57200036      6.03255511      0.92347536
  H     -3.10451165      2.34902500     -3.03009300
  O     -0.09425798      3.42106846     -2.80528563
  H      0.16085992      4.62256606      1.46236064
  H      2.19788730      1.56081618      4.05873436
  O     -1.85013615     -0.36703576     -1.89883412
  H     -2.42316632      6.56003005      2.39658304
  H      2.03438634      1.96623139      2.57129614
  O      3.01130001      4.83996145      2.91413037
  H     -3.85412325      7.10134831      2.18936411
  H      1.67558401      3.63695188     -2.86713234
  O     -4.50870587      3.00135770     -1.87778623
  H     -0.01084512      2.17035523     -1.44843674
  H      3.08908507      3.44304270     -3.46286595
  O     -2.31970802      1.99606935     -3.46686234
  H     -0.53375863      0.74094055     -1.15374269
  H      2.08822354      7.47266550      4.45201992
  O      1.90290215      2.26604389      3.48979338
  H     -1.00083639      5.27127696      3.47662892
  H      2.11994556      6.26822238      3.48615129
  O      2.60862654      3.89250661     -2.77172117
  H     -0.30323992      6.61464737      3.72127418
  H     -3.27753937      1.16250721      0.32386872
  O      1.59716648      7.04302094      3.75638680
  H     -2.36427574      3.19523296      0.61049365
  H     -4.22214548      1.38033773     -0.86329778
  O     -3.80528959      0.68909898     -0.33366965
  H     -1.28484573      2.09058835      0.42293655
  H      2.11922613      5.77133188     -2.91156535
  O      1.75711189      6.65336744     -2.76225575
  H     -0.64622215      8.15393918      0.24430908
  H      0.83708979      6.51511285     -2.51414720
          69
 Energy    -248.47401352686245     
  O     16.76262158     11.14778524    -14.53848943
  H     17.08752955     11.63909585    -15.28938317
  H     14.95591105     11.02536600    -13.95245776
  O     18.56131083      8.87464418    -11.61974944
  H     17.20116123     10.28127893    -14.56399111
  H     16.00862327      8.84003280     -9.43851761
  O     15.09488494     10.13739766     -8.60802766
  H     17.84436488      8.65000637    -11.00703489
  H     15.85654544      8.37693457    -10.90626332
  O     11.91079392      9.11135760    -13.79529047
  H     19.26941899      8.24084234    -11.45817992
  H     15.18191161      7.96776517    -13.11302937
  O     18.46156838      3.90438201    -13.54131730
  H     14.17257231     10.14466283     -8.88938740
  H     14.56111828      9.31142864    -12.66622602
  O     12.95499015      6.95000887    -15.37818809
  H     15.47841424     10.96070604     -8.93864027
  H     12.91950054      5.48396911    -12.65139106
  O     15.73484324      5.60045917    -10.51758868
  H     12.59076673      9.79897596    -13.82589890
  H     13.94244605      4.68413756    -13.46891596
  O     12.36535069     10.36927719     -9.57795517
  H     12.22385152      8.40136090    -14.36772438
  H     19.68970386      6.05021481    -11.02892425
  O     19.62591674      6.30946909    -14.03538933
  H     18.92923399      3.20556211    -13.99002987
  H     21.11958965      6.58754824    -10.77893320
  O     16.15586931     12.47887544     -9.83981546
  H     18.88204178      4.74239216    -13.80567626
  H     15.76203267      6.21272264    -14.19025279
  O     13.71872951     12.25331105    -11.26440189
  H     12.53487289      6.65468234    -16.18179885
  H     14.80010362      7.10306066    -15.03078389
  O     14.10060661     10.83150933    -13.55309277
  H     12.89763146      6.21365186    -14.74208861
  H     17.38412031     11.54016918    -12.75071054
  O     16.38459126      8.24512674    -10.10155123
  H     16.06468236      6.47650224    -10.26337693
  H     18.13042386     10.67798865    -11.71610263
  O     14.86655308      8.45529933    -12.34180305
  H     14.77503601      5.69524856    -10.52201005
  H     17.15941507      8.07371966    -14.48999243
  O     13.03393112      5.01257661    -13.48835595
  H     11.91513547      9.73414877    -10.15486652
  H     18.09188465      8.68880383    -13.38299430
  O     20.33249075      6.73124459    -11.29703070
  H     11.72727642     10.63087872     -8.91683213
  H     17.56788190      4.94808667    -10.56631814
  O     15.67194978      7.07772712    -14.61718520
  H     19.15721439      7.10513346    -14.31143150
  H     18.47159124      4.33609845    -11.65951684
  O     17.70887659     11.53846383    -11.84360065
  H     20.00577992      6.50838536    -13.16945567
  H     10.11115517      8.41886509    -11.32737523
  O     17.92869961      8.64339276    -14.33791344
  H     16.59282858     13.22847831     -9.44493883
  H     11.33744353      8.78003296    -12.19449003
  O     18.48822288      4.78939611    -10.80698976
  H     16.74300269     12.15393427    -10.54571009
  H     16.68552423      4.32106127    -13.37521432
  O     11.04983248      8.58151870    -11.28419653
  H     13.19497675     11.68144231    -10.69015963
  H     15.83609127      5.00308666    -12.26532575
  O     15.82556164      4.71836942    -13.19038178
  H     14.53421190     12.43592167    -10.78015599
  H     12.31007868      7.11462787    -11.03351954
  O     13.11899637      6.61340263    -11.17936998
  H     13.97066851     11.43480835    -12.80389801
  H     13.72625859      7.25092856    -11.58673483
          69
 Energy    -248.47388542399059     
  O     16.18108634      5.01072634    -12.69067415
  H     16.92269578      5.13138804    -12.08462788
  H     18.12920380      7.51186042    -15.77955681
  O     15.04982472     11.66731703    -11.86833746
  H     16.51958461      4.83989193    -13.58349396
  H     15.79035349      9.89149847    -15.76931393
  O     17.23522919     11.85346847    -13.75722386
  H     14.27307991     11.49819027    -12.41598348
  H     16.05186891     11.25291177    -15.08718666
  O     11.31852207      7.57529358    -16.27244455
  H     15.75076032     11.90667021    -12.48655862
  H     15.11458229      8.04271577    -13.09597861
  O     15.97728677      7.35409669     -9.76707436
  H     17.56500308     11.06328182    -13.29659919
  H     16.10197681      6.85101054    -12.99073917
  O     12.94218662      6.07867984    -14.52526855
  H     17.95959204     12.47276105    -13.79710932
  H     13.32051667      6.10550522    -11.05802082
  O     13.18531633     10.93195944    -13.86340581
  H     11.72039057      6.95840542    -15.64684733
  H     14.24603803      7.07134059    -10.28117438
  O     13.38046221     10.25424853    -17.51835099
  H     11.85771586      7.52104199    -17.07068969
  H     18.72834708      6.35932247    -11.60572476
  O     16.98226161      4.84301594    -15.29741997
  H     16.15057586      8.30073587     -9.83729208
  H     18.83094290      5.40994429    -10.39016043
  O     16.47019845      8.21692821    -15.84156230
  H     16.74699390      6.90476108    -10.13175713
  H     13.41467941      3.62390769    -11.93650334
  O     14.78759545      6.15950928    -16.61708406
  H     13.06439292      6.92084203    -14.05725178
  H     14.49645061      4.64485560    -12.35695284
  O     18.92382982      6.98247799    -15.60018815
  H     13.00748037      5.40133869    -13.84343990
  H     17.23790336      8.94863304    -12.62883000
  O     15.40351488     10.76459302    -15.60849237
  H     13.93934158     10.87298325    -14.46891665
  H     17.57880863      9.84360878    -11.42342409
  O     16.04275664      7.78994773    -13.20158520
  H     12.39847923     10.79603626    -14.40657079
  H     19.38792022      7.20166198    -13.75304338
  O     13.36134558      6.98603918    -10.66743055
  H     12.59089717     10.37543384    -16.97622216
  H     19.13085227      8.23800933    -12.63635083
  O     18.20678002      5.84363498    -10.96622216
  H     14.11985760     10.55410388    -16.97456753
  H     13.35394682      8.61865258    -18.15114642
  O     13.53926760      4.52354830    -12.22737029
  H     17.72782788      5.43565186    -15.44722548
  H     13.08647213      7.68202929    -19.35212950
  O     17.88098278      9.60320368    -12.30877950
  H     16.26155268      5.16922723    -15.85248333
  H     16.43819822     10.68526108     -9.18899902
  O     19.50789260      7.36474338    -12.80975251
  H     16.35223214      8.09212480    -14.88538439
  H     15.83091358     10.70177784    -10.60883275
  O     13.24767539      7.68637275    -18.41235765
  H     15.89358057      7.55798936    -16.25177060
  H     10.26192397     10.52535620    -15.81192225
  O     16.41570930     10.20270644    -10.01141933
  H     14.16199804      6.06992282    -15.88224959
  H     11.16034614      9.26800936    -15.82863779
  O     11.16138334     10.23228417    -15.69211456
  H     14.29629520      6.56848318    -17.34072187
  H     13.20391498      9.23889566    -13.13079785
  O     13.38248543      8.29957287    -13.02312270
  H     19.50800420      7.10360353    -16.34512221
  H     13.25233550      8.01207284    -12.10529798
          69
 Energy    -248.47368381775311     
  O     14.73710975      9.91214345    -16.53110259
  H     15.09720587      9.42962487    -17.28564712
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  H     13.99238627      9.39057214    -16.20865477
  H     19.01880976      7.37838486    -17.50960421
  O     17.60968663      7.00827682    -11.66089987
  H     14.12411065      4.01087022    -14.97963881
  H     17.75472001      7.31076708    -16.59823647
  O     20.51286222      6.44238033    -17.60051112
  H     14.19435658      4.56660907    -16.41853430
  H     17.13472551      5.58320299    -15.23925243
  O     13.38864200      6.79872059    -10.43859466
  H     17.00508216      7.50990875    -12.22932374
  H     15.89510187      6.25442702    -15.92961084
  O     14.06345896      4.70447939    -13.24468199
  H     18.49072902      7.17004821    -12.02050399
  H     12.87675148      7.89916652    -14.67798000
  O     16.04641960      8.25962612    -13.50698727
  H     21.08958040      5.87238896    -18.10072115
  H     11.74391454      8.22148604    -15.67970648
  O     18.01160263      4.05746054    -14.78573665
  H     20.52543925      6.10344093    -16.68786452
  H     16.15442428      3.89291172    -10.63711851
  O     13.11474995      3.94629626    -10.69303587
  H     14.26117842      6.85614735    -10.03041784
  H     15.83763685      4.82871337     -9.46644980
  O     18.97453719      9.37332884    -15.01426859
  H     13.16017177      5.86067314    -10.43557672
  H     14.82243183      6.90950033    -17.67532621
  O     16.52444625      2.29204733    -16.24650284
  H     13.84083892      5.64437168    -13.26362843
  H     13.73624052      6.91208016    -16.57145369
  O     20.32995973      5.56935709    -15.02618588
  H     13.64201353      4.34126319    -12.45499231
  H     20.77138276      8.03249179    -12.80619570
  O     18.20216529      7.84313273    -17.27376877
  H     16.32586763      7.64630148    -14.20582181
  H     19.59170157      8.31274835    -13.76236142
  O     16.70195618      6.42657435    -15.42759679
  H     16.21383818      9.15680654    -13.81743153
  H     15.83453923      4.53178014    -12.72408143
  O     12.68948024      8.11887475    -15.60687977
  H     17.64322483      4.00923992    -13.89311726
  H     17.06942361      5.28425167    -12.13900623
  O     15.67762775      3.93577312     -9.79629820
  H     17.58542459      3.37064739    -15.31874175
  H     16.68534138      6.87546453    -10.12570455
  O     14.38659871      6.35331997    -17.01738084
  H     14.00258484      3.84513705    -10.30496195
  H     16.44133421      7.24600942     -8.64696166
  O     19.92578416      7.69264134    -13.08952990
  H     12.56724622      3.26497901    -10.31319849
  H     14.37945727      7.80632177    -13.19493110
  O     16.72566833      4.40940975    -12.36527383
  H     18.21985466      9.96061216    -14.89181753
  H     13.33171750      7.33610682    -12.14311071
  O     16.08117175      6.74675599     -9.37594660
  H     18.82975983      8.94217270    -15.86636319
  H     16.32108451     11.66564955    -14.43264943
  O     13.47827701      7.46368765    -13.09147785
  H     16.32233884      1.40474847    -16.52883765
  H     15.87704287     10.52313468    -15.37725332
  O     16.50312021     10.76048780    -14.66938972
  H     15.67079242      2.75177551    -16.16721600
  H     16.74000726      8.14800597    -18.19059442
  O     15.84683158      8.25111986    -18.56421802
  H     20.21536187      6.22594910    -14.33124947
  H     15.95473439      8.38889544    -19.50148832
          69
 Energy    -248.47273004817629     
  O     18.73156278      9.90364978    -11.11831431
  H     19.00320514     10.63009067    -10.54115540
  H     13.36293288      8.06474192     -9.12478479
  O     19.22187704     11.73956531     -9.15190870
  H     18.01611239      9.44113937    -10.65124190
  H     19.58730912      5.47400524    -13.42428361
  O     12.82117499      7.22058584    -10.72947807
  H     18.35685862     12.00467404     -8.81652805
  H     18.54479021      4.95463026    -12.40909118
  O     17.29848454      9.83295514    -13.46088323
  H     19.62058991     11.20182295     -8.45559876
  H     15.55438498      6.81518189    -12.16890971
  O     19.98779148      7.45886571    -10.99275157
  H     11.98318839      6.78546044    -10.86230032
  H     14.56973662      6.58536161    -10.99112171
  O     19.93178355      7.40097134     -8.13726754
  H     12.92766163      7.85453143    -11.46155124
  H     20.66702012      7.12387607    -12.58370798
  O     17.97855035      5.48120362    -10.66204813
  H     17.83855288      9.93342744    -12.66318108
  H     21.82317212      6.84456753    -13.57123056
  O     13.36382690      8.85763862    -12.83252624
  H     17.87149737      9.41873535    -14.12320349
  H     17.00288053      9.40081398     -6.52383338
  O     16.55383288     12.22124066     -8.12010662
  H     19.61383836      8.34973776    -11.06989824
  H     17.09450922     10.91507884     -6.83813509
  O     15.01683259     11.21517020    -12.69692195
  H     19.25526377      6.83276246    -10.89923205
  H     19.62599232      7.88220732    -14.58573521
  O     15.00426663     10.77946092     -9.88784533
  H     20.14171115      7.46777711     -9.07648244
  H     18.34731462      7.49501607    -15.33752226
  O     13.77041277      8.56849482     -8.40927542
  H     20.03217000      8.28632319     -7.76651248
  H     16.68097802      8.41254740     -8.95224405
  O     18.79619723      4.92598672    -13.34059896
  H     17.97414072      5.40083166     -9.70083209
  H     16.28142915      7.88841100    -10.36147708
  O     15.49448866      6.50593355    -11.25241807
  H     17.07511907      5.73420725    -10.90263424
  H     20.65345602     10.25970908     -6.31752741
  O     20.87274882      6.88292160    -13.50346231
  H     13.74708752      9.73875879    -12.75998657
  H     19.16433667     10.06581605     -6.69407704
  O     17.48932820     10.20989010     -6.31117658
  H     14.02511937      8.34379163    -13.31758272
  H     16.55450012      7.03691621     -7.37002320
  O     18.87607278      8.25478558    -15.06606486
  H     15.95566528     11.77925266     -8.74411370
  H     15.28836017      7.97884122     -7.55450418
  O     16.70738831      8.61870131     -9.89519285
  H     16.13517042     13.04318831     -7.87594657
  H     16.10135903      6.96669599    -14.38759816
  O     20.07672548     10.00277026     -7.03224123
  H     15.82920844     10.78556913    -13.01303765
  H     16.23901129      8.33541321    -13.66019217
  O     16.20738464      7.92815097     -7.24905127
  H     14.90859516     12.00371987    -13.22348275
  H     18.63213534      6.29661087     -7.85085999
  O     15.65878214      7.56991838    -13.77775394
  H     15.59050417     10.00651574     -9.90569522
  H     18.12326997      4.98845587     -7.19945102
  O     17.87878097      5.67725934     -7.81240732
  H     14.91634137     11.05342137    -10.80802157
  H     17.75855182      5.46657593    -14.62896460
  O     17.23613417      5.88933547    -15.33461473
  H     13.97262824      9.42957005     -8.79368744
  H     17.13683148      5.24492235    -16.02958427
          69
 Energy    -248.47256696863272     
  O     12.32334076      9.18856048    -14.91920634
  H     12.44494709      8.61151117    -14.14277438
  H     15.50583083     10.88091548    -16.62391612
  O     17.72820509      6.04861800    -14.12708412
  H     11.39772910      9.41424149    -14.94974889
  H     15.51478292      8.04190632    -15.33359860
  O     18.48055805     10.03801649    -11.77501404
  H     17.70097154      5.47252892    -14.89841777
  H     16.08652907      8.89573252    -14.14839136
  O     14.59282544      4.97316255    -15.55089462
  H     17.17813194      6.81825056    -14.35424565
  H     13.37241864      7.86905661    -12.15699475
  O     15.64646666      9.12991834     -8.63813119
  H     18.45296515      9.88663639    -10.82392923
  H     13.00391198      6.60004949    -12.93169311
  O     16.18960418      5.86750838    -11.80782113
  H     18.80190518      9.21519012    -12.17367472
  H     17.71417389      6.36421663    -10.77130929
  O     15.87950326     10.12631207    -12.82207286
  H     14.33016813      5.83926368    -15.89436736
  H     19.03926975      6.98613570    -11.26091943
  O     17.30851616      7.04717521    -18.06697041
  H     15.46867913      4.79966677    -15.91291738
  H     14.10554597      4.84858346    -13.90280078
  O     18.25709074      9.18593191    -16.50600324
  H     15.40303875      9.72620883     -7.93425619
  H     13.31458826      4.06242582    -12.83044904
  O     17.26177277      4.76927524    -16.58742527
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  H     16.74784716      5.85157916    -12.59865013
  H     19.03541785     12.30948425    -13.98167644
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  H     15.36758974      5.43258823    -12.06881209
  H     18.99714094      7.08978311    -13.41511726
  O     16.30318746      8.22458752    -14.80701801
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  H     20.05002591      8.20803160    -13.63067117
  O     12.77370526      7.53133199    -12.83735550
  H     16.77476217     10.21455815    -12.47277884
  H     18.45751244      8.21363074     -9.50566723
  O     18.52864493      6.78415044    -10.46611228
  H     16.52207416      7.46039421    -18.44123193
  H     19.15159993      9.14258624     -8.48041356
  O     13.82302761      4.85676059    -12.96992492
  H     17.78385877      7.76223515    -17.62235239
  H     14.65511946      8.85962551    -19.64598726
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  H     17.60312729      8.86779765    -15.86341379
  H     15.33757191      9.40557984    -18.36694495
  O     19.55587389      7.73240323    -12.95248852
  H     19.09665226      9.25996306    -16.04180499
  H     15.02179114      8.51562283    -10.20802304
  O     18.41499314      9.09255295     -9.08384211
  H     17.28286466      5.56382022    -17.15086108
  H     15.35088962      7.44653832    -11.30149878
  O     14.99366866      8.59870178    -18.79465151
  H     17.63935779      4.06074158    -17.10123909
  H     14.96873357     10.92314662    -14.25969436
  O     14.83015795      8.23959116    -11.11423167
  H     21.52100037      9.57526638    -15.27529622
  H     13.71386168     10.53129458    -15.05070765
  O     14.51135033     11.07170157    -15.09768112
  H     20.36555415     10.28866259    -14.53338825
  H     13.38165309      8.13806119    -15.98787098
  O     14.06457337      7.57437984    -16.37377257
  H     16.87387846     10.34804267    -17.13972617
  H     14.27619590      7.91115409    -17.25392177
          69
 Energy    -248.47246123601394     
  O     -5.57688924      3.64337455      1.48442491
  H     -5.13315581      4.18244917      2.16401964
  H     -2.73780773      4.70573599     -3.28021734
  O     -3.30626867     -2.36503450      0.40392054
  H     -6.51030608      3.67308851      1.67534912
  H      0.96324788     -2.12943489     -2.16191598
  O      0.05058823      4.17454878     -1.16158312
  H     -3.09158068     -1.95816511     -0.45471984
  H      0.16103028     -1.93733575     -0.85452159
  O     -2.55301430      1.53889844     -1.76848663
  H     -3.94184318     -3.05369129      0.22805383
  H     -2.26783344      2.85448760      4.61196068
  O      0.25474802      0.38559706      5.22328423
  H     -0.75738531      4.26772212     -1.68310050
  H     -1.91537373      3.47525043      3.25308414
  O     -1.59925948      3.10122778      1.57179214
  H      0.31694223      3.25361710     -1.25975163
  H     -1.95549162      6.56281077      1.24790764
  O     -2.51059219      1.08106457      4.90021614
  H     -2.58958265      2.42981101     -2.13561390
  H     -2.74483504      7.89219137      1.31935648
  O     -2.48752692     -1.24928698     -1.94045646
  H     -3.04920761      1.55867009     -0.93627109
  H     -4.49563810      2.23000882      1.01273773
  O     -2.96322116     -0.36623162      2.36869196
  H      0.75901150      0.12763746      5.99002178
  H     -3.58430709      0.97979438      1.33015284
  O     -0.19994009     -0.72078228      2.68112012
  H      0.73234424      1.12588781      4.80801096
  H     -3.74522981      5.88888160      2.68048075
  O      1.52009760      2.37152613      3.84779609
  H     -1.40080865      3.93198379      1.12767589
  H     -3.50738635      4.73932596      3.68838465
  O     -2.49348138      4.26239574     -2.47217423
  H     -2.37135808      2.69429614      1.15928689
  H     -0.73227195      1.36747297     -1.49413834
  O      0.37315343     -1.52968526     -1.71345684
  H     -1.61217250      0.77803814      5.08673634
  H      0.41684699      0.34696986     -1.57468165
  O     -2.05158181      3.69677617      4.18900485
  H     -2.82165451      0.56128746      4.15052369
  H     -0.50734090      4.59185146      4.03616030
  O     -2.84309083      6.94485984      1.36525208
  H     -1.53777733     -1.40116073     -2.01603303
  H      0.54502625      5.66284846      4.40152717
  O     -3.77619443      1.67595494      0.68495439
  H     -2.60365999     -0.29230032     -2.01453580
  H     -3.70708279      5.83563445      0.11705440
  O     -4.19526642      5.21158366      3.20011092
  H     -2.00570994     -0.45416566      2.48121741
  H     -4.65786468      4.62312199      0.09188665
  O      0.22528098      1.27393255     -1.38422022
  H     -3.21600225     -1.09328063      1.78413803
  H      0.65914344      1.37942900      0.38275523
  O      0.33457653      4.99162702      3.75641081
  H     -0.00142676     -0.52486884      3.60384697
  H     -0.14377904      2.07978597      1.48884017
  O     -4.06097059      5.14440176     -0.45646020
  H      0.14667110      0.02166950      2.16333901
  H     -0.25341679     -2.05589152      1.42225516
  O      0.63529160      1.52319729      1.33665257
  H      1.41873068      2.07876306      2.93107600
  H     -1.39902176     -2.68560389      0.61353900
  O     -0.43851715     -2.60443392      0.64725606
  H      1.23718504      3.29262563      3.85686010
  H     -0.08797923      5.21932066      0.29211834
  O     -0.47047695      5.67553298      1.05793962
  H     -3.08668141      4.59726883     -1.77592822
  H     -0.00161527      5.41926042      1.86104780
          69
 Energy    -248.47240315810137     
  O     16.16973742     12.03225332    -14.70623844
  H     15.43823385     12.42985810    -14.21959006
  H     15.78825158     12.23417485    -10.31423153
  O     16.25953218      6.61702689    -12.28388777
  H     16.79502380     11.72828912    -14.03456802
  H     15.76561443      8.37383425    -12.18013342
  O     13.86950302      9.82689627     -9.89115255
  H     15.52164710      6.28172693    -11.75995652
  H     15.03902469      9.45614325    -11.31246059
  O     19.47281811      8.95543438    -13.65883530
  H     16.03970058      6.49257742    -13.21755788
  H     15.98812727     10.85912356    -15.96919715
  O     11.83420120      6.74865839    -15.23019019
  H     14.12998088      9.10983741     -9.30341655
  H     16.08232524     10.57955388    -17.48757797
  O     15.52476863      6.47817788    -14.93643967
  H     13.03612009      9.57660934    -10.32007282
  H     13.39216858      4.48278331    -11.48849839
  O     13.27799909     10.26087380    -13.50785637
  H     20.34721818      8.92702340    -14.03721573
  H     12.74598483      3.08265882    -11.56320845
  O     17.23743473      8.87087850     -9.23916222
  H     18.86042746      8.63876109    -14.34744816
  H     17.06574390      7.46022130    -15.38025973
  O     13.60018136      4.51321339    -14.78450723
  H     11.10087768      6.85600400    -15.83115709
  H     17.15661303      8.88111439    -15.96262706
  O     14.97535416      7.57843554     -8.59935205
  H     12.49161810      7.42239711    -15.47035953
  H     12.11107971      9.56185326    -12.21134951
  O     18.64126155      7.60192864    -11.24944338
  H     14.94354883      7.22307566    -15.13800458
  H     11.54051844      8.22242874    -11.70876905
  O     14.86047616     12.33652105    -10.55577599
  H     14.97158539      5.68420311    -14.95312631
  H     14.28578883      6.53916172     -9.95978360
  O     15.45707426      9.28841347    -12.16791696
  H     14.07344862      9.89069328    -13.09041520
  H     13.30765617      6.52173658    -11.18362593
  O     15.91395342     10.16263855    -16.64668061
  H     13.37380027     11.21867623    -13.44697540
  H     11.80571307      5.54548814    -12.29502157
  O     12.86840712      3.89159298    -12.05384351
  H     17.80693716      8.43036110     -9.88843001
  H     11.72157560      6.64705908    -13.36307936
  O     17.67687924      8.19236690    -15.53209579
  H     17.33083728      9.81603620     -9.39401716
  H     17.72239549     11.42537592    -10.98074480
  O     11.73187964      9.12753422    -11.43440991
  H     13.38436022      4.19270789    -13.90069865
  H     18.33523076     12.16936080     -9.77213484
  O     14.01516117      6.03703878    -10.73973684
  H     12.90583321      5.14359748    -15.01447360
  H     13.52245209      9.22342131    -14.91317667
  O     11.69978760      6.49678039    -12.40857403
  H     15.82691838      8.00916027     -8.80534413
  H     14.46374772      9.11396856    -16.12924201
  O     17.58486544     11.64652187    -10.04359464
  H     14.99756735      7.35882909     -7.67193522
  H     13.55146538     13.76669193    -13.03697212
  O     13.79194476      8.63104901    -15.63227384
  H     17.88159672      7.11720316    -11.60413005
  H     14.32842949     12.76442457    -12.15335514
  O     14.01493412     12.93411671    -13.06048368
  H     19.04435304      8.03024924    -12.01218811
  H     16.89850184     10.29039193    -12.50877504
  O     17.68020477     10.84627168    -12.66046962
  H     14.41908570     11.54431186    -10.21779798
  H     18.37823623     10.26693346    -12.99112217
          69
 Energy    -248.47225578970722     
  O     12.79083752      8.00594477    -10.99723795
  H     13.55988961      8.56838027    -10.80039206
  H     13.51958546      6.84211938    -15.04672094
  O     15.79576909      4.96993886    -12.19730012
  H     12.07247528      8.32791829    -10.45723443
  H     18.72778632      5.82648452    -16.27142503
  O     15.41429740     11.58825448    -12.29918930
  H     15.74434242      4.63604329    -13.10376710
  H     17.63126368      6.60494512    -15.50892527
  O     17.90829605     11.19557947    -13.73043425
  H     16.65741889      4.72586386    -11.83560341
  H     16.28337436      9.46412674    -15.80666707
  O     11.08228896      8.75601118    -16.01317071
  H     14.76321658     11.35900874    -12.97810150
  H     16.81852711     10.80485410    -15.26268393
  O     17.04460421      6.48125609     -9.22324289
  H     16.27023436     11.58194564    -12.74234860
  H     15.64702469      8.23037393    -12.02058589
  O     12.77522604      8.04570209    -13.85204184
  H     18.17728292     10.42226216    -13.20804765
  H     15.96040748      6.75901527    -12.46169174
  O     13.83015857     10.59825609    -14.36477200
  H     18.64917731     11.79737735    -13.72437776
  H     13.77521600      6.48316878    -10.25460506
  O     14.07278678     10.17167459    -17.79664764
  H     11.54302495      8.30843285    -16.73391896
  H     14.75889000      5.40479059    -10.73821672
  O     15.78678050      4.37012912    -14.87471518
  H     11.49165868      8.43188216    -15.19935481
  H     18.91816688      3.93904323    -10.86973242
  O     16.28643468      7.75587145    -15.38686696
  H     16.10650254      6.27401432     -9.34781018
  H     18.80522064      5.25695028    -11.67422987
  O     13.95021251      6.37316953    -15.77705160
  H     17.53811076      5.83453833     -9.74017735
  H     17.66397627      8.45229078    -12.42257294
  O     18.26680627      5.87305305    -15.43690685
  H     13.19177387      8.91025583    -13.98324285
  H     18.37566424      9.09328231    -11.22636076
  O     16.17981649     10.42663247    -15.87812652
  H     12.71153935      7.91582996    -12.89920424
  H     19.30553326      7.28265823    -12.68176558
  O     16.08527968      7.69070879    -12.68901334
  H     13.14774313     10.98298638    -14.92867219
  H     19.10281919      6.18475885    -13.76060854
  O     14.43046131      5.85052194     -9.94348198
  H     14.62992841     10.53079924    -14.90586446
  H     17.47455864      8.11669605     -9.33093601
  O     18.34437126      4.68131671    -11.03867982
  H     14.87561572     10.35318550    -17.29278642
  H     17.96457394      9.41152675     -8.63624896
  O     18.45576233      8.95877500    -12.17951700
  H     13.37551575     10.70227690    -17.39017943
  H     12.73792227      7.50204697    -18.90990177
  O     19.44803509      6.34828019    -12.87353632
  H     15.10666831      4.94193512    -15.25616919
  H     13.36278950      8.57130583    -17.98205500
  O     17.65267702      9.06696717     -9.46811572
  H     16.63793495      4.73740631    -15.13860735
  H     15.90739264      9.33573782    -10.15541979
  O     12.88749822      7.72154146    -17.99418463
  H     16.21861884      7.79728207    -14.41911339
  H     15.18858798     10.24932622    -11.18989714
  O     15.11042221      9.42080832    -10.69116741
  H     15.49324124      7.28661239    -15.67928686
  H     11.21608736     11.95508794    -16.41267760
  O     11.91840208     11.32406271    -16.28445493
  H     13.55739027      6.70451012    -16.59454925
  H     11.50190667     10.44721520    -16.19804162
          69
 Energy    -248.47199581241995     
  O     -0.33084120      1.10881221      1.79546225
  H     -0.95794406      0.44556899      2.11215246
  H      3.46632593     -0.46222673      3.46408428
  O     -1.98364038     -0.80210827     -0.79626185
  H     -0.15563052      1.68185106      2.55287736
  H     -1.28680969     -3.61792206      1.11041749
  O      1.68019757     -2.57555721      1.73876693
  H     -1.21112984     -0.48086605     -1.28574526
  H     -0.10114408     -2.67329556      1.40060975
  O     -3.77596578      1.14673682     -0.32233388
  H     -1.66407840     -1.47255074     -0.18516447
  H      2.55988531      3.19897258      2.47270659
  O      3.31872156      2.07672280      1.18286295
  H      2.00452850     -2.04404496      2.49001738
  H      1.96453540      4.62097511      2.58624924
  O      0.31801165      0.19299429     -1.99157694
  H      2.32769140     -3.25996053      1.59086147
  H      3.12872789      2.98747140      4.61947727
  O     -3.66650351      1.49744278      2.51970856
  H     -4.53199624      1.02596144     -0.88952064
  H      4.10239775      1.80616793      4.58139332
  O      1.26842291      5.84383614      1.35923877
  H     -3.17299094      0.39885211     -0.49425364
  H      2.06990600      4.72042914      0.02121776
  O     -2.63485609      3.75995037      3.61825563
  H      2.82076239      1.30148794      0.88752730
  H      1.80506735      3.72761070     -1.13539812
  O     -0.09002110      2.65655004      4.06768080
  H      3.16000187      2.77218115      0.52731309
  H     -0.04846628     -0.52906917      5.53037970
  O     -2.04483822     -0.74608037      2.98501996
  H      0.38719431      1.12871218     -2.20955417
  H     -0.97496419     -1.49503734      6.28204097
  O      2.68003288     -0.99109591      3.64450435
  H      0.92077947      0.06184024     -1.24631670
  H     -2.34590354      2.32146651     -0.31111576
  O     -1.05103730     -2.69759794      1.20446617
  H     -3.81558048      1.41588669      1.57029087
  H     -1.04687454      2.16598722      0.50600095
  O      2.19876125      3.83938344      3.10191275
  H     -3.22114431      0.67993178      2.78135924
  H      1.81847118     -0.93854100      0.76727143
  O      3.51927124      2.29870751      5.17212781
  H      0.32687274      5.59615321      1.39277330
  H      0.98737334      0.36012560      0.90309945
  O      2.48116216      4.03413815     -0.51837135
  H      1.30363880      6.79644829      1.35880380
  H     -0.05263618      3.57131679     -2.87782973
  O     -0.80513770     -1.12608080      5.41891103
  H     -3.03053762      2.96264366      3.22179526
  H     -0.35069945      2.99603263     -1.47380434
  O     -1.48757847      2.73032097     -0.14704613
  H     -3.26589394      4.09076681      4.25174014
  H      2.09803981      1.17565483      5.55273462
  O      1.72312842     -0.04737317      0.41642935
  H      0.64284667      3.21848624      3.77526369
  H      0.67718795      1.34895738      5.01026109
  O      0.33732853      3.08432981     -2.15571702
  H     -0.92108747      3.13949675      3.99418607
  H      5.74237049      0.76636936      2.84515059
  O      1.26447437      0.70097588      5.42838960
  H     -1.65209692     -0.90206871      3.85705245
  H      4.37626219      1.30598768      2.36513730
  O      4.81964946      0.81719469      3.08017668
  H     -1.82281288     -1.50234212      2.42939400
  H     -1.80102360      4.73037876      2.21975063
  O     -1.30010210      5.01080841      1.44507813
  H      2.14174798     -0.46907415      4.25211691
  H     -1.40891753      4.29498390      0.80398954
          69
 Energy    -248.47195213052538     
  O     17.95979808     15.14838735    -16.28658218
  H     18.67455858     14.73480621    -16.78558948
  H     17.82472781     10.62944661     -8.80161285
  O     21.40927017      9.53602925    -15.30395543
  H     18.37250879     15.50535171    -15.48963173
  H     20.83336339     16.85223648    -11.34471962
  O     19.49192260     13.43817299    -10.18597936
  H     20.86241547      9.05738316    -14.65619250
  H     20.67324423     18.31354339    -11.82767598
  O     20.27101607     10.08982191    -11.27861742
  H     22.02776919      8.90304874    -15.65848858
  H     21.04918943     12.75786884    -10.92303131
  O     16.17944844     10.90187786    -11.49043097
  H     19.05111223     12.66521361     -9.81540437
  H     22.56160678     12.98277855    -11.12944958
  O     19.50270751     11.45273610    -16.02472530
  H     18.91754979     13.75103459    -10.90218245
  H     17.90250703     10.28008483    -13.54208196
  O     21.58947282     14.40910661    -15.06019274
  H     19.58672085     10.29407182    -10.62781289
  H     16.86724173      9.83599338    -14.57401885
  O     21.14388606     15.72134581    -10.04860707
  H     20.99068387     10.72378562    -11.14916677
  H     19.92239301     12.87778110    -16.97313348
  O     22.36619449     12.00157469    -14.05270343
  H     16.41524111     10.24401585    -12.15918383
  H     20.41090455     13.50431244    -18.30284598
  O     15.83452541     12.84163718    -13.65564440
  H     15.85799292     11.65632021    -11.99520638
  H     22.31861198     16.58696441    -12.91826628
  O     16.66010670     11.22072808    -15.92398862
  H     20.14458809     10.73195093    -16.01934716
  H     22.63455847     15.46858670    -13.93257690
  O     18.16089268     10.99333358     -9.61663756
  H     19.38486155     11.67494878    -15.08739660
  H     20.18361842     15.25849490    -14.30824508
  O     20.74424255     17.41419870    -12.13547088
  H     21.24984707     14.27050153    -15.95047691
  H     19.78759639     16.43319101    -13.37582661
  O     21.85493543     12.33766619    -11.25669755
  H     21.87351347     13.54293327    -14.72631518
  H     23.45558216     15.01062504    -11.79940167
  O     17.25517079      9.58028709    -13.72828066
  H     22.01314985     15.33045468    -10.20168932
  H     24.50024204     14.63044605    -10.72342049
  O     20.15011934     13.71685563    -17.41062669
  H     20.53240805     14.98152825     -9.93846679
  H     18.88141971      8.51061001    -13.57722143
  O     23.00449021     15.96549129    -13.19042297
  H     22.08682268     11.14370343    -14.38976466
  H     20.03982865      8.79936504    -12.60172440
  O     19.42785674     15.75969559    -13.96627249
  H     22.17946130     12.01742085    -13.10551737
  H     19.57567054     11.19866478    -12.64580424
  O     23.58694732     14.51547707    -10.97066189
  H     15.50070713     13.40724671    -14.36252592
  H     18.74701463     12.48724583    -12.94524571
  O     19.82373433      8.35792138    -13.43560500
  H     16.22553887     12.10415672    -14.14255821
  H     16.41089783     14.37614217    -16.29338256
  O     19.07360747     11.66327269    -13.32574533
  H     16.25437454     12.04773237    -16.21214522
  H     14.97238874     14.31893233    -16.85770170
  O     15.57472533     13.87672069    -16.26646836
  H     17.60451946     11.29178157    -16.11762281
  H     17.16863965     13.76674488    -12.79206058
  O     17.99303354     14.04950029    -12.37624196
  H     17.42207577     10.98498679    -10.25050539
  H     18.42850279     14.69241904    -12.95449225
          69
 Energy    -248.47186664321171     
  O     16.07880324     11.10537701    -15.42735701
  H     16.31657221     10.96226680    -14.50091725
  H     14.78061156      4.74201848    -13.71669197
  O     14.04366837      4.85070747    -16.73948249
  H     16.39459278     10.33002334    -15.90476992
  H     14.38717171      7.67922860    -10.53077895
  O     13.15203450      7.61781427    -11.83779997
  H     13.96193669      4.30180446    -17.51469086
  H     15.00138054      8.87023820     -9.78222249
  O     16.13258839      5.41821442     -9.16608103
  H     14.26189907      5.74765634    -17.05165819
  H     15.25497399      7.76730210    -14.31414648
  O     11.91538554      5.33878246    -14.87466333
  H     12.26671854      7.99087555    -11.96987191
  H     15.01266744      9.17613034    -13.75525207
  O     13.32727366     11.47693713    -15.25407701
  H     13.65850699      7.82266809    -12.64082603
  H     17.87771359      8.63458721    -17.09139340
  O     14.60239082      7.37345081    -17.49779422
  H     15.77981699      6.31238557     -9.26015213
  H     17.11469735      8.02658314    -15.89326089
  O     18.46086223      5.39388056    -10.85682759
  H     17.00035064      5.42767489     -9.58872143
  H     11.20037888      9.86780608    -12.73620203
  O     12.72484480      8.86903604    -16.08539155
  H     12.31677149      5.07195662    -14.03857612
  H     10.68016660      8.57193124    -13.42033691
  O     14.68191426      3.50712377    -10.43347573
  H     12.57159280      5.15469539    -15.55750296
  H     12.51587237     11.59854975    -13.74778830
  O     16.95672536      3.57571728    -12.19995073
  H     14.28846028     11.47993483    -15.36563337
  H     11.56870397     12.41919479    -12.84242099
  O     15.49240145      4.62208096    -14.36245088
  H     13.01571689     10.68356613    -15.70801897
  H     13.74704408      4.38854188    -11.76705181
  O     15.12641466      7.93511698     -9.95641852
  H     15.42996507      7.84060537    -17.33671513
  H     13.26611040      5.81045279    -12.17959714
  O     14.55666439      8.37368559    -14.04045801
  H     13.89727977      7.94767927    -17.16712316
  H     10.92526940      6.76246754    -14.96213150
  O     17.03152082      8.63102907    -16.64976140
  H     17.99492593      4.71922419    -11.38322020
  H      9.58978850      7.40023136    -15.41288805
  O     10.93862165      8.95335205    -12.57131735
  H     19.33970428      5.06141339    -10.69593887
  H     13.61448813      9.53248025    -11.33575429
  O     12.05094814     11.59824847    -12.89099513
  H     13.33587460      8.70097817    -15.35046273
  H     13.34511233     10.98809922    -11.68552723
  O     13.42426263      4.91582529    -12.50887595
  H     11.87599423      8.49312593    -15.82471068
  H     17.12115836      7.21888663    -13.55410312
  O     10.43886251      7.60412280    -15.02981861
  H     14.39411776      2.82872087     -9.82839657
  H     16.53726661      6.08018748    -14.45178466
  O     13.96381234     10.42067116    -11.20460904
  H     15.15549423      4.17454685     -9.90548568
  H     15.56272760     10.44870329    -12.13574094
  O     16.93436424      6.96235405    -14.46750026
  H     16.20856342      3.38073561    -11.62223462
  H     16.78834524      9.52754154    -12.41571603
  O     16.27318972     10.26352617    -12.76652993
  H     16.57118424      3.81577598    -13.05250100
  H     17.83624028      7.01948627    -11.48419896
  O     17.28826019      7.75103330    -11.79833039
  H     15.07018684      4.58571166    -15.23010807
  H     16.54683812      7.80150084    -11.18092520
          69
 Energy    -248.47182086453986     
  O      1.71505543      0.35537166      5.01661628
  H      0.99961327     -0.22352752      5.33446663
  H     -2.69074249      2.59574790     -0.26997536
  O      1.29989049     -1.05459778     -3.19176679
  H      2.37159093      0.38739555      5.70803739
  H     -2.24744570      0.41121660      4.07696872
  O     -0.37130260     -1.26894217      5.62082427
  H      0.95133677     -1.76718913     -3.72271674
  H     -2.46181093      1.37181480      5.26071953
  O     -0.43128800     -0.39664208     -1.10126367
  H      0.60220963     -0.82356067     -2.55882859
  H      0.60388688      1.90427101      1.08524296
  O      2.30164053     -2.80936288      0.31362443
  H     -1.13358929     -0.67089541      5.59242482
  H      0.11296264      2.59292094      2.40183145
  O     -3.86819660      2.99513828      2.95560036
  H     -0.47684527     -1.83757882      4.85088568
  H     -2.79073978      1.25556304     -2.49981000
  O     -3.35265512     -3.44339900      3.20158829
  H      0.25098085      0.04962630     -0.58083934
  H     -1.86319360      0.60298751     -1.44812925
  O      0.38681293      2.77005265      4.12455152
  H     -0.55428955     -1.26464726     -0.69179124
  H     -1.22261400      0.94868969      2.03312828
  O      3.38222370     -0.76993691     -1.43451675
  H      2.76474351     -2.22785351     -0.30068236
  H     -2.51753206      0.13233954      1.72366147
  O     -5.63345236      0.74216560      2.45333616
  H      2.32069592     -2.35117813      1.16344254
  H      0.49133654     -2.98687355      0.09297989
  O     -4.53704144     -1.22646666      4.18983383
  H     -4.51358201      2.28626726      2.86894654
  H     -0.61835427     -2.73291657      1.12587168
  O     -2.59066605      3.16733618      0.49729857
  H     -3.47990360      3.12125764      2.07703015
  H      1.87862512     -0.59928955      3.39556748
  O     -2.46076873      0.43728912      5.02260139
  H     -3.82565038     -2.67222205      3.56465844
  H      0.91664067     -1.61497838      2.74676025
  O     -0.14862806      2.33932502      1.50269611
  H     -3.68998319     -4.21183616      3.65381539
  H     -2.85191512      3.19202726      4.33367776
  O     -2.68484269      1.10946097     -1.56333898
  H      0.79569852      1.98777945      4.51256498
  H     -2.54933005      3.95689763      5.64377126
  O     -1.76028383      0.19886483      2.31811010
  H     -0.46074611      2.91050472      4.56486920
  H      2.39528762      0.27481266     -0.19647921
  O     -0.46491887     -2.85879622      0.18013096
  H      4.22797542     -0.62794141     -1.85141067
  H      1.73301096      0.01477370      1.18081885
  O      1.74317198     -1.13566712      2.60399061
  H      2.72945036     -0.87264782     -2.14789924
  H     -1.14299253     -1.37454978      2.71196332
  O     -2.27721338      3.20712713      5.12234594
  H     -5.09509801      0.41432495      1.71170253
  H     -1.63755536     -2.79880691      3.08685925
  O      1.71047535      0.59264595      0.40358314
  H     -6.51323713      0.88326434      2.11235568
  H     -3.40433743     -3.17907833      1.30521914
  O     -0.84124743     -2.27433004      2.92886140
  H     -3.89152886     -0.68406506      4.66335047
  H     -2.39372041     -3.02492252      0.14829769
  O     -3.31280622     -2.86608319      0.39588485
  H     -5.04103323     -0.60494191      3.65095351
  H     -3.78657445     -1.15650203      0.42717670
  O     -3.93583127     -0.20696273      0.55145519
  H     -1.68248038      3.02288884      0.80294204
  H     -3.62716126      0.25212810     -0.23895578
          69
 Energy    -248.47135198912139     
  O     12.80975460     13.82844578    -11.55992915
  H     12.63107572     12.89479618    -11.76005435
  H     12.96895010     12.05117785    -15.55735700
  O     15.45217224      9.84553938    -18.00913017
  H     12.09859238     14.12496280    -10.99694562
  H     14.62027082     12.98594708    -17.28654872
  O     14.63244434      9.62128021    -11.63599453
  H     15.43040742     10.81405504    -17.90589500
  H     16.16287778     13.03530434    -17.35307047
  O     17.69207155     15.19671031    -12.00233184
  H     15.66742091      9.66995608    -18.92106377
  H     13.43252463     14.13576369    -15.55937590
  O     13.61881063      8.90299325    -16.12695947
  H     15.36517430     10.18454865    -11.35093572
  H     12.48623195     14.34131726    -16.76732307
  O     13.02029040      7.41756269    -11.08412127
  H     13.88552872     10.20647091    -11.81779563
  H     18.61729970     13.47650258    -12.20687866
  O     13.80926450      5.95786733    -13.23497214
  H     16.91262655     14.87525005    -11.51620185
  H     18.75080533     12.28347780    -13.17292641
  O     15.51547707     12.20449639    -13.82239075
  H     18.12292324     15.82928861    -11.43262436
  H     16.67220258      9.48844871    -16.56552018
  O     12.36378364     11.19530160    -12.31660370
  H     14.22055093      8.66193784    -15.40475120
  H     16.66546711      8.94555186    -15.11897727
  O     15.29007166      8.24677811    -14.00147586
  H     14.17284559      9.13560576    -16.88258590
  H     12.24261062      7.98408691    -15.20458395
  O     18.06048271     11.85177159    -14.86449884
  H     12.18616119      7.83621740    -11.32734273
  H     12.38573978      6.86884372    -14.15758714
  O     13.08714803     11.31489710    -14.94688672
  H     13.67496272      8.13118903    -11.10252532
  H     17.13544455     15.43886592    -13.75772131
  O     15.39280774     12.52179920    -17.62803333
  H     13.97818033      5.04016391    -13.04121470
  H     15.76179896     15.40048736    -14.44003840
  O     13.12128687     13.73790454    -16.39065516
  H     13.54275874      6.37981157    -12.39789035
  H     17.44543514     11.76073214    -11.45861403
  O     18.90029853     12.55560292    -12.25624040
  H     14.82809953     11.72705562    -14.30088160
  H     16.08305910     11.79127962    -12.16355236
  O     17.20252145      9.42513484    -15.76265559
  H     16.36713987     12.06109308    -14.25746709
  H     13.57655570     14.51911104    -13.17742994
  O     11.76712651      7.52719115    -14.49923927
  H     12.56715340     11.26467899    -13.26311788
  H     14.71826303     13.78635871    -13.89498507
  O     16.70430769     15.49858772    -14.62088890
  H     11.74414166     10.46030019    -12.22498170
  H      9.89187462      8.65401594    -12.21107177
  O     16.50758944     11.56981625    -11.31842418
  H     15.13808839      8.77548664    -13.20603510
  H     11.10711376      8.40497541    -13.13288292
  O     14.12054868     14.55009960    -13.97181440
  H     14.94224003      7.36771947    -13.80525169
  H     15.87768116     13.19692343    -10.69244806
  O     10.82068984      8.84503148    -12.31206651
  H     17.88018876     10.97181922    -15.23086648
  H     14.63040810     14.07469891    -10.89580442
  O     15.56429895     14.11271763    -10.66592244
  H     18.04572837     12.49765041    -15.57997253
  H     17.30899359     14.56310494    -15.95421558
  O     17.61714688     13.98363915    -16.67430455
  H     13.18541090     10.49822525    -15.45439431
  H     18.25219614     14.48613511    -17.17766101
          69
 Energy    -248.47112264803764     
  O     17.59876566     11.36164722    -14.52630599
  H     16.80045353     11.89555225    -14.44300868
  H     16.97856000      6.96767161    -10.24363131
  O     15.82265321      6.36744838    -11.62562751
  H     17.85825548     11.12858603    -13.62380440
  H     13.34091870      7.49247777     -9.19393187
  O     12.09774739      9.05038271    -12.73149082
  H     14.85665645      6.37236175    -11.59276090
  H     13.24840590      6.16246014     -8.42414286
  O     12.36538325     10.86112430    -10.66951267
  H     16.05034819      6.10792439    -12.52853728
  H     13.79513289     12.06058555    -11.18634532
  O     19.56095800      8.07711428    -11.70545602
  H     12.82893860      9.41067936    -13.25566107
  H     15.27950175     12.39421568    -10.86965891
  O     12.75093162      6.75649248    -15.90650567
  H     11.43954902      8.73676792    -13.36906290
  H     15.08920640      9.21837500    -11.02953552
  O     16.06243964      5.82088696    -14.34553515
  H     11.52066068     11.22765972    -10.41980794
  H     15.81632210      8.17283051    -11.88228621
  O     14.30545071     10.00903593    -14.05438366
  H     12.19190587     10.21997628    -11.38016366
  H     17.76448764      9.98172963    -15.54544354
  O     16.58492895      9.53206323     -8.22119577
  H     19.20103331      7.73760669    -12.54489350
  H     18.39145058      9.37948048    -16.82540788
  O     13.46097288      4.74672601    -13.98951784
  H     20.49293996      7.87624202    -11.70799254
  H     17.79897564      6.59344589    -14.17233249
  O     14.11431439      9.09165472     -9.41074127
  H     12.95336312      5.99085430    -15.35519060
  H     18.36574664      7.90283631    -14.74934907
  O     17.59991996      7.48642564     -9.71612767
  H     13.59010327      7.21559187    -16.03648516
  H     12.69420792      7.34869150    -12.18754972
  O     12.90865224      6.62207497     -9.18772352
  H     15.79298744      6.60539733    -14.84743451
  H     12.83491666      6.41384352    -10.95334769
  O     14.54838072     12.58511474    -11.47602417
  H     15.27506301      5.26532193    -14.29684337
  H     11.33087873      7.58665120    -15.23692434
  O     15.60504748      9.11439653    -11.83768480
  H     14.82653169      9.73317332    -13.28270423
  H      9.86929450      8.04585241    -15.37533926
  O     17.85523101      9.16364135    -16.06734880
  H     14.49590461     10.94310616    -14.19900613
  H     16.70334996     11.16117926     -9.23866457
  O     18.50312855      7.24268857    -14.05825801
  H     16.97561892      8.80402897     -8.73791521
  H     17.32763767     11.53886107    -10.58291758
  O     12.99867511      6.47663983    -11.90577846
  H     16.95812625      9.47727606     -7.34569303
  H     14.87448334      8.77143146    -15.21377515
  O     10.60274447      8.02884179    -14.76725955
  H     13.04163236      3.90400692    -13.83654934
  H     16.13016918      8.42735755    -16.03903229
  O     16.71563709     11.85724480     -9.90494783
  H     13.23018448      5.31568471    -13.23480666
  H     14.80326206     13.51794901    -14.46458334
  O     15.26838230      8.08467933    -15.77243119
  H     14.86741317      9.39500425     -8.88697011
  H     14.92479802     12.71623420    -13.14635281
  O     15.10381375     12.68837452    -14.10480756
  H     13.54046035      9.83377604     -9.63986436
  H     18.70144261      9.75101960    -11.81869304
  O     18.04684346     10.44974292    -11.93118950
  H     18.34215896      7.66813251    -10.30616739
  H     17.18331646     10.00962384    -11.88724348
          69
 Energy    -248.47106157560256     
  O     12.75708275     11.09597358    -13.05115610
  H     13.42381397     10.89113282    -12.38566679
  H     15.66184229      6.73809242    -16.66405823
  O     14.14427946      6.84435175    -17.59532273
  H     11.98107430     10.56090843    -12.85043250
  H     14.92760491      6.80091907    -10.51609386
  O     13.83728314      4.98239324    -12.69390151
  H     13.53893818      7.59139729    -17.51795570
  H     15.08461772      5.61834892    -11.47140513
  O     18.11352636      5.12657183    -11.45103532
  H     13.66932684      6.06360249    -17.28699210
  H     14.27850386      8.08796555    -13.76986541
  O     13.19664031      4.34598806    -16.46748066
  H     12.95161100      4.74637049    -12.39577898
  H     13.53175594      7.83738739    -12.41687503
  O     10.35814920      9.43249725    -12.85299356
  H     13.75576360      5.88699377    -13.03772161
  H     13.45055958     10.85764993    -14.72554099
  O     12.43077882      9.10483972    -17.23507844
  H     17.26787919      5.43826527    -11.10039675
  H     14.66355245     10.07162456    -15.25862260
  O     19.30369369      7.53062603    -12.53347351
  H     18.61621360      5.91902054    -11.67357130
  H     10.97003327      4.92684389    -13.13922026
  O     11.32221453      7.96123999    -14.95048491
  H     13.15484031      3.61358255    -17.07908872
  H     10.46151336      4.15658589    -11.89688076
  O     17.93878704      3.61766776    -13.70262706
  H     13.98823322      4.20322159    -15.92413485
  H     10.67516582      8.10364893    -11.55173926
  O     18.81826549      6.13611868    -14.80703416
  H      9.53300979      9.87872558    -13.02814110
  H     10.96051901      6.59015250    -11.34267617
  O     16.31823600      6.56251686    -15.97322766
  H     10.58887501      8.94277688    -13.66048850
  H     14.85786894      4.36373441    -13.99475839
  O     15.58943387      6.19596830    -10.88320163
  H     12.13256971      9.62928626    -17.97269850
  H     16.25426039      3.85882065    -14.45512864
  O     13.54019621      7.62029577    -13.35744128
  H     12.97183277      9.69058490    -16.67181508
  H     11.69475539      4.85929523    -15.40868322
  O     13.88753449     10.57351607    -15.54096272
  H     19.16847166      7.09163267    -13.39301217
  H     10.96784031      6.15080954    -14.97857200
  O     11.06901255      4.83754455    -12.17373869
  H     20.21011386      7.82520188    -12.51511605
  H     13.82588624      8.97035043    -10.51699261
  O     11.00448640      7.45484559    -10.91659461
  H     12.12276804      7.83385175    -14.41543938
  H     12.65445151      7.90301110    -10.49702610
  O     15.39774429      4.16674852    -14.77607070
  H     11.60069481      8.35509804    -15.78673426
  H     16.04840292      8.05614827    -15.01804657
  O     10.97886511      5.19165214    -14.85432059
  H     18.44436285      2.81582860    -13.59866607
  H     16.25179502      8.77476113    -13.64427508
  O     13.61557529      8.03063603    -10.50304806
  H     17.98711182      4.09110204    -12.85254043
  H     15.60053290      9.89226771    -11.39652467
  O     15.77973803      8.81789513    -14.48452082
  H     18.06315046      6.38576637    -15.35686776
  H     15.24742849     11.20436929    -10.66732376
  O     14.86311192     10.46768543    -11.13744367
  H     18.64916458      5.22440820    -14.54081999
  H     17.72134173      8.34356700    -12.05787535
  O     16.79439595      8.55892804    -11.89045339
  H     16.02637525      5.75421061    -15.53184618
  H     16.38202297      7.74257944    -11.57440892
          69
 Energy    -248.47063173213431     
  O     13.22953208     13.12689443    -14.66038189
  H     13.08844644     12.46480855    -15.34788681
  H     18.14214238     11.17741781    -14.52712224
  O     18.07524873      7.30684607    -14.03778058
  H     14.06219726     13.56024513    -14.87959912
  H     15.62560069      9.39505759    -18.81130262
  O     17.06406960     13.71373987    -12.94614841
  H     17.37633102      6.64271980    -13.98481994
  H     16.69140401      9.66364784    -19.90105939
  O     15.80713924      5.57313502    -13.94800429
  H     18.06719634      7.62259237    -14.94866852
  H     16.33900312      9.84693650    -12.65017845
  O     14.89352285     10.35969154     -9.52244052
  H     16.73098788     13.81933849    -13.84510495
  H     15.42260617     11.08417877    -12.43763627
  O     14.72129291      6.79414431    -11.81646647
  H     17.77415962     13.06219883    -12.97875462
  H     14.26152101     11.33117303    -16.77456092
  O     12.56128364     12.83287417    -12.05294656
  H     15.40180981      5.98423770    -13.16235541
  H     13.43083142     10.40375877    -15.83306262
  O     14.08782966      8.79506028    -18.23868995
  H     15.79814685      4.63116095    -13.80298609
  H     17.53079824      8.78597156    -11.25351868
  O     16.37505929      8.18254504     -9.94722530
  H     13.96018314     10.26538425     -9.76323724
  H     18.05677749      8.47665232    -12.70085684
  O     17.50372188      8.58252877    -16.55835861
  H     15.17592687     11.16938091     -9.96660326
  H     12.67057222      8.51235338    -13.24231754
  O     15.07259978      7.29443100    -16.03203181
  H     13.87355101      7.24631929    -11.89820543
  H     11.45716587      7.71379488    -12.71123479
  O     17.38587949     10.90979095    -15.06141538
  H     15.23568526      7.26423869    -11.14980900
  H     14.34414611     12.75402002    -11.49235930
  O     16.50988719      9.77221825    -18.97157563
  H     11.93430476     13.51805009    -11.83457518
  H     15.85632842     13.05331969    -11.79507677
  O     15.61669123     10.35552661    -13.04137284
  H     12.74892961     12.92217454    -13.00366742
  H     18.71493319     10.73325788    -12.52129589
  O     13.36595007     11.02559472    -16.57467768
  H     13.63405363      9.52111716    -17.79207059
  H     19.95729200     11.64149577    -12.65267557
  O     17.94191221      9.17445640    -12.03610185
  H     14.27336206      8.13435878    -17.55826348
  H     16.56062952     11.59780540    -16.44159948
  O     12.26777899      8.13813526    -12.44060674
  H     15.84110449      8.97571102     -9.75127671
  H     16.21815455     11.34172869    -17.92442704
  O     15.25126143     12.49209886    -11.28919465
  H     16.59496839      7.78601243     -9.10878420
  H     12.24971734      9.59078126    -11.22352506
  O     19.05214963     11.54536011    -12.93728188
  H     17.52918558      9.37933581    -16.00767934
  H     12.33426705     11.13216894    -11.14330501
  O     16.02325946     11.92454984    -17.18163980
  H     17.33679239      8.89255429    -17.45626208
  H     15.87537561     13.45770370    -16.22251803
  O     12.34432662     10.32856609    -10.60924927
  H     15.24690257      6.59123235    -15.39378328
  H     15.86966182     14.97952142    -15.96863929
  O     15.78389656     14.13412545    -15.53273160
  H     15.92734729      7.70960034    -16.21855902
  H     14.14292075      8.47719912    -15.03519639
  O     13.69019545      9.16826458    -14.53217276
  H     16.66486148     10.76874562    -14.42910172
  H     14.35000797      9.59198238    -13.96043035
          69
 Energy    -248.47047766331735     
  O     14.75610061      9.81130869    -10.51196102
  H     14.51551109     10.30340672    -11.30876323
  H     17.56415549      4.28668963    -12.34968628
  O     12.88703335     10.54321722    -16.32034730
  H     13.98407756      9.30423403    -10.22070767
  H     12.43811301      7.61349847    -10.65075660
  O     16.95516845     10.73487100    -13.89527009
  H     12.95395200     11.37213848    -15.83002544
  H     13.32129575      7.32192183     -9.40242805
  O     13.43396393      5.13682618    -13.21661521
  H     12.83076046      9.84306371    -15.65701910
  H     14.47888342     12.85927537    -15.21525536
  O     17.19478605      7.24362839     -8.11717571
  H     16.07179664     10.75082597    -13.50128105
  H     13.31992388     13.79978977    -14.80061737
  O     16.04678043     12.50065457    -15.90112532
  H     17.59303200     10.66238400    -13.17657494
  H     13.79989680      8.03165214    -14.44441197
  O     15.79250377      7.57774999    -11.89211728
  H     13.95017556      4.96055048    -12.41668068
  H     12.52411603      8.18918052    -13.58286903
  O     14.28055592     10.85370767    -13.00488626
  H     14.04276821      5.56002204    -13.83534973
  H     15.06251008     10.41677965    -18.67142456
  O     18.53018950      7.60741373    -12.25804087
  H     17.72785044      7.29464463     -7.32737585
  H     14.34549482     10.45691846    -17.30102626
  O     18.78028748     10.37454469    -11.75079646
  H     17.71996970      6.75404929     -8.77694328
  H     12.26483500      6.29293029    -12.64898828
  O     17.70186808      5.35392288    -13.72033702
  H     15.88398409     11.89076733    -16.63229935
  H     10.80899208      6.76142776    -12.40905757
  O     17.46464363      3.80252035    -11.50922405
  H     16.52389916     11.98955274    -15.23283971
  H     14.33928608      5.89860326     -7.57142476
  O     12.82056352      8.00821430     -9.85685228
  H     15.42150749      8.31450136    -11.39279734
  H     15.50032098      6.62127318     -8.28848098
  O     13.59434763     12.88736007    -14.80648675
  H     15.49886845      6.75002207    -11.48988781
  H     14.89479263      5.26599989    -10.00579498
  O     13.09011718      8.64556303    -14.21737210
  H     13.98297422     11.62994027    -13.49470736
  H     15.84743411      4.53644264    -11.01992533
  O     15.21823794     10.47122406    -17.73263826
  H     13.85934091     10.08460781    -13.41498042
  H     18.30711145      5.12040645    -10.40745528
  O     11.71977428      7.03357840    -12.32791404
  H     18.82032097      8.52338784    -12.19673389
  H     18.73471011      6.55569467    -10.75425738
  O     14.63695910      6.19926088     -8.42706321
  H     17.57022324      7.62978060    -12.11146443
  H     15.47752935      7.15208367    -13.59556392
  O     15.02842610      5.04269932    -10.93489184
  H     19.49486249     10.96474474    -11.52732190
  H     15.76989319      7.46389303    -15.09754660
  O     18.59463980      5.95100571    -10.01176024
  H     18.28965367     10.20171450    -10.92685650
  H     17.32469114      8.97359456     -9.03490398
  O     15.30108047      6.85499927    -14.50306616
  H     18.17148239      6.13067944    -13.38407563
  H     16.39234223      9.92166568     -9.80369907
  O     17.31694854      9.79092503     -9.54212648
  H     16.93297651      5.69848981    -14.18602100
  H     16.81232176      9.41867506    -15.20807351
  O     16.56099044      8.77651081    -15.88595879
  H     17.73858608      2.90473059    -11.67464158
  H     16.16263054      9.28552621    -16.60168523
          69
 Energy    -248.47042130679353     
  O      3.06528196     -0.52769527     -1.40494975
  H      3.50320044      0.22063905     -1.80297619
  H      2.65223552     -4.77436512     -3.41126624
  O     -2.70520363     -3.12394141      1.73732042
  H      3.48696228     -0.66618443     -0.53886813
  H      3.26831566     -5.18656223      0.10014488
  O     -0.12093689     -4.15858763     -2.05700344
  H     -3.64234522     -3.28423467      1.67011990
  H      4.31720898     -4.05114142      0.37271543
  O      2.12739604     -5.84077722      3.06278497
  H     -2.40402089     -2.83236592      0.85650078
  H     -0.40246203     -5.62949120      0.83881180
  O      0.03830700     -7.89789339     -2.14091475
  H      0.74503791     -3.74315995     -2.16941003
  H     -0.13275300     -5.32878173     -0.66036164
  O      2.50605296     -6.79226566      0.40507035
  H     -0.26785861     -4.71648804     -2.83087460
  H      3.38736456     -4.58516548      3.46733366
  O     -1.72886435     -2.35816635     -0.64362417
  H      1.21794636     -5.54524750      2.95080074
  H      3.48832986     -3.05037293      3.63162277
  O      0.41667466      0.42147350      2.15209046
  H      2.34943579     -6.31754829      2.25212168
  H      0.23980694     -3.92364675      1.91412901
  O      0.45266003     -0.67509991     -0.34273110
  H      0.98970612     -8.06198452     -2.11929314
  H     -1.26346078     -4.09265070      2.27669442
  O      1.35442359     -2.93035594      1.04137551
  H     -0.16538859     -7.41889449     -1.32696610
  H      0.27569745     -3.35764380      5.52891985
  O      2.29046881     -1.56309292      3.24577556
  H      1.57246351     -6.56338019      0.27842142
  H      0.00883150     -3.49800356      4.01724036
  O      2.57361927     -5.68044379     -3.73442084
  H      2.76840581     -7.27764733     -0.38720177
  H      2.87986203     -7.08238785     -2.71535385
  O      3.51589162     -4.27706851     -0.11442951
  H     -1.09784925     -1.62675163     -0.59377240
  H      3.52929514     -8.47750299     -2.55712372
  O     -0.13546076     -6.03187122      0.00733223
  H     -1.30424521     -3.01263303     -1.21304593
  H     -0.22319278     -6.78860152     -3.48113981
  O      4.01490952     -3.85532342      3.57606701
  H      1.15599722      0.01958353      2.61807279
  H     -0.83354881     -6.31728789     -4.82531921
  O     -0.38205419     -4.45761898      2.44039680
  H     -0.37487340      0.04579777      2.56740548
  H      6.54108956     -3.60149265      1.65085515
  O      0.22072195     -2.86039646      4.71559172
  H      0.42356329     -0.16059534      0.48018192
  H      5.12977463     -3.61084842      2.29437033
  O      2.91890235     -7.87146197     -2.14581552
  H      1.28119581     -0.47449148     -0.79163807
  H     -2.07286255     -1.66766487      2.83627498
  O     -0.23966813     -6.05881970     -4.12629322
  H      2.11734732     -3.34411681      0.61881244
  H     -1.08498125     -1.56981990      4.00788215
  O      5.62592998     -3.39808256      1.48156277
  H      1.01527488     -2.22440872      0.47556582
  H      2.93323848     -3.61632646     -1.62812725
  O     -1.60426297     -1.03633616      3.39525128
  H      1.65925459     -1.83330136      3.92441324
  H      2.66987893     -2.23380751     -2.24337907
  O      2.49483533     -3.17207274     -2.37198168
  H      1.99528507     -2.01911280      2.43945676
  H      4.78808958     -1.71226673      1.16940492
  O      4.18114227     -0.96774482      1.06915997
  H      1.66221393     -5.77289616     -4.03992221
  H      3.66916516     -0.94124615      1.88412264
          69
 Energy    -248.47027277761174     
  O     16.85753513     10.20001221    -14.70421420
  H     17.29783212      9.85596107    -13.91831217
  H     18.32220038      3.54794692    -16.11536823
  O     13.87403940      5.15779147    -17.08890725
  H     15.95803420      9.85302390    -14.69671357
  H     19.02817222      8.15327610    -16.59755918
  O     17.21064364      4.32347912    -12.20598780
  H     14.62818076      4.56489890    -16.98794611
  H     19.75380455      6.80594244    -16.91346692
  O     19.76524128      5.43234372    -18.18577511
  H     14.25782173      6.03400600    -17.22246653
  H     17.96852732      6.66053006    -15.54861764
  O     17.06416165      5.49601301    -18.59703800
  H     16.96334173      5.25690305    -12.29915614
  H     16.91978527      6.54736116    -14.39395275
  O     13.16119016      6.00409673    -10.54788640
  H     18.12155206      4.25486676    -12.51474218
  H     13.47255829      9.74060444    -15.06336329
  O     13.38439541      4.95121560    -14.40401265
  H     20.26148262      5.34893878    -18.99567677
  H     13.96471115      8.50819659    -14.27870525
  O     16.47106637      6.90593132    -12.66989632
  H     18.82653003      5.49277317    -18.43572092
  H     12.92789007      2.60249944    -12.01671728
  O     16.39689527      3.87745433    -16.31928821
  H     16.48205402      6.23939415    -18.41315979
  H     13.23786884      1.11915313    -11.70048330
  O     11.89037641      4.01084719    -12.23148450
  H     16.78278611      4.79012637    -18.00007902
  H     16.02653563      7.14800768    -16.48618357
  O     19.93925459      7.25578142    -13.48838016
  H     13.86627612      5.33678264    -10.46647628
  H     14.89096796      8.17004878    -16.57722930
  O     19.25982843      3.70557634    -15.95557560
  H     12.92339843      6.25905392     -9.66034919
  H     19.62392526      4.13383270    -14.28657789
  O     19.52587990      7.41852653    -16.20512754
  H     13.37487013      5.04924457    -15.36559519
  H     20.55095146      3.87381662    -13.07983933
  O     17.09260852      6.32554595    -15.31634821
  H     14.09012905      4.32396966    -14.19724091
  H     14.83049348      2.49938983    -13.28546936
  O     14.17996866      9.10055607    -15.01646450
  H     15.53269092      7.12731239    -12.71017431
  H     16.05802669      3.44576505    -13.30419679
  O     13.64634914      1.95215263    -11.91904758
  H     16.98079809      7.70163284    -12.46971693
  H     15.87054823      4.08307853    -10.89602158
  O     15.41652768      7.56641223    -17.11636239
  H     16.65441621      4.74029349    -15.94873087
  H     14.60195978      3.21750056    -10.81175463
  O     19.78543364      4.37172998    -13.35703108
  H     16.02797421      3.37722732    -15.57913406
  H     13.59555086      6.47814736    -13.54631982
  O     15.38357662      3.03611435    -13.86622253
  H     12.12543159      4.69731545    -11.59610453
  H     13.46554481      7.00018023    -12.09837179
  O     15.01866467      4.00812435    -10.44738051
  H     12.20761037      4.33686632    -13.08598076
  H     18.62403720      9.57473927    -11.77338279
  O     13.73508792      7.26061158    -12.98825471
  H     19.95263039      7.38648778    -14.44828097
  H     18.89146907      8.43427963    -12.78697753
  O     18.20657546      9.03574894    -12.43943670
  H     19.92057816      6.30190809    -13.35384634
  H     17.00085605      8.85676408    -17.43247934
  O     17.79985384      9.30975320    -17.14780075
  H     19.56857775      4.22015092    -16.71127278
  H     17.55246240      9.74814436    -16.31802856
          69
 Energy    -248.46998467419280     
  O     11.36335783      8.93580342    -12.14936066
  H     12.08349870      9.33683855    -12.64691919
  H     15.77002733      6.59849193    -10.32107254
  O     17.00495040      9.51188209    -10.22740589
  H     11.12910295      8.12106092    -12.61414154
  H     13.75031744      3.20623368    -14.41783127
  O     15.52045599      5.77545459    -14.94740460
  H     17.47388495     10.16655339     -9.71762673
  H     14.33207396      3.54745434    -13.02452904
  O     16.95344700      2.24496818    -13.03684522
  H     16.06763062      9.77844499    -10.23852555
  H     13.94772474      7.91073325    -13.16337802
  O     16.73256134      9.22795678    -13.07539682
  H     15.25814822      4.87900259    -14.69174684
  H     14.41813453      6.54702596    -13.75911943
  O     14.05073438      9.71273429    -13.28870302
  H     16.28648946      6.01562127    -14.40800159
  H     11.84459496      8.60628797    -10.49397237
  O     14.38462617     10.12530095    -10.48519840
  H     16.65238850      2.08506068    -12.13469400
  H     11.59606603      8.62439009     -8.96663944
  O     12.02768244      3.17959186    -14.94840878
  H     16.16756658      2.53692206    -13.51909126
  H     13.40927788     10.28802963    -16.66973394
  O     15.98974214      2.31020448    -10.30835517
  H     17.08653261      8.35184197    -13.27119134
  H     13.46320537      8.82528752    -16.19439833
  O     18.95282193      4.07630742    -12.86820790
  H     16.97526502      9.40574846    -12.15831110
  H     12.90459282      6.59080067    -16.51508646
  O     17.90561058      4.21624399    -10.19227322
  H     15.01867325      9.62140484    -13.28347244
  H     14.41125799      6.65067310    -16.17189886
  O     16.72386237      6.72903543    -10.41076883
  H     13.78013013      9.83238773    -14.21210821
  H     17.18003484      6.54697724    -12.20503365
  O     14.57584770      3.38282658    -13.94460755
  H     14.19566304     10.12438733    -11.43272852
  H     18.10108805      5.71756392    -13.12168139
  O     13.85889987      6.95189801    -13.08498508
  H     13.68477483      9.60573120    -10.07356490
  H     10.46330850      5.94506573    -16.52265134
  O     12.24981876      8.41650150     -9.62870663
  H     11.61011760      3.28335958    -14.08466109
  H     11.14645767      6.02657075    -15.13897664
  O     13.31791149      9.73954943    -15.89532841
  H     11.76883410      3.95659273    -15.45936209
  H     13.37562863      6.96276004    -10.01720579
  O     13.69649010      7.13298691    -16.60822266
  H     16.67566131      2.99282249    -10.19125691
  H     13.96032712      6.56121957    -11.39344872
  O     17.49481709      6.46899092    -13.11678546
  H     16.14150820      1.65055086     -9.63693869
  H     11.05703367      5.53231185    -12.91532885
  O     11.25989593      5.71231064    -16.05118710
  H     18.27029007      3.39515188    -13.00738671
  H     12.15625505      6.55143590    -13.30137136
  O     13.97060816      6.33815208    -10.44733364
  H     19.76376849      3.73124953    -13.23148585
  H     12.05277034      3.68002410    -11.83282806
  O     11.20338397      6.37306356    -13.36598718
  H     18.41173082      4.17814903    -11.01282604
  H     10.57521765      3.25111700    -11.70350129
  O     11.17286431      3.77112915    -12.23516812
  H     17.55493038      5.11637370    -10.13976594
  H     13.82844094      4.58930199    -10.85697447
  O     13.74373034      3.70134273    -11.23346846
  H     16.89906977      7.66423918    -10.24799785
  H     14.45005696      3.16149305    -10.85581713
          69
 Energy    -248.46995040466987     
  O     10.99454161     11.52042920    -12.83526595
  H     11.84526490     11.69024023    -13.25868375
  H     15.85874112      5.40546955    -14.89530575
  O     13.55962244      7.15088177    -14.68786479
  H     10.50318483     10.95338827    -13.44350324
  H     15.22236997     11.30488212    -16.55692737
  O     17.21869742     10.14634752    -10.60916032
  H     13.94945633      6.39120101    -15.13488665
  H     15.65141486     12.79323501    -16.62485489
  O     18.69186158      8.11124079    -16.59805436
  H     14.30485164      7.73151814    -14.45935865
  H     16.32310460      9.07795250    -14.46327855
  O     12.29265303      9.39885882    -15.63357932
  H     16.42913865     10.41281242    -11.11071166
  H     15.46921712      9.23282168    -13.17856833
  O     15.71136250      7.85669718     -9.76059844
  H     17.42433821     10.86881503    -10.01975161
  H     10.83596305     10.75148175    -11.28107736
  O     12.81227370      6.71759149    -12.05581601
  H     18.33329709      8.92546093    -16.20038379
  H     10.17613030     10.68400167     -9.88138676
  O     14.90004878     10.53357166    -12.01823842
  H     19.40370469      8.37958160    -17.17388157
  H     18.39770916      6.69655476    -13.63688111
  O     15.99614323      7.54027920    -17.30374227
  H     12.64813445      8.54269512    -15.35328740
  H     19.07511964      7.41315432    -14.81652237
  O     15.18493610      5.51500888    -10.99642106
  H     11.37077264      9.42024480    -15.35073410
  H     10.31585106      8.61892798    -11.51501386
  O     17.56513330     10.20321678    -15.29064567
  H     16.36060391      8.53406034     -9.98226412
  H     11.02027310      7.38903520    -12.12833324
  O     15.33862900      5.22386703    -15.69655532
  H     14.84825331      8.29086908     -9.80786728
  H     18.41073951      9.93562924    -12.10566717
  O     15.56687321     12.05288854    -16.03027182
  H     13.01551878      6.83511770    -12.99527305
  H     19.05915647      8.98214230    -13.14236176
  O     15.72031855      8.61096978    -13.87194159
  H     13.52344212      6.17872434    -11.68934410
  H     16.36682504      6.97233667    -13.49815861
  O     10.73608564     10.20134342    -10.48280792
  H     14.40349118     10.96042837    -12.72910743
  H     16.18985490      5.75537315    -12.55858464
  O     19.13689040      7.27344071    -13.86344360
  H     14.26774972     10.05042352    -11.46656395
  H     15.02706558      9.08656156    -17.35308721
  O     10.23923193      7.95051556    -12.20756154
  H     16.94375451      7.65177493    -17.15672850
  H     13.68153572      9.71886501    -16.90500753
  O     18.87901710      9.91450973    -12.94677118
  H     15.75985694      6.71908106    -16.85967015
  H     13.05116229      8.20622993    -11.03529465
  O     16.60513529      6.03860667    -13.38178916
  H     15.44387419      6.32315743    -10.51640577
  H     12.39023422      9.42345170    -10.33102736
  O     14.54024592      9.92151448    -17.29494326
  H     15.27017235      4.79214187    -10.38027921
  H     14.18257313     11.84091548    -14.76485190
  O     13.23254276      8.97546176    -10.47531220
  H     17.00342329     10.96921283    -15.44707248
  H     13.09343889     10.74883642    -14.68262143
  O     13.48972669     11.48620704    -14.19455615
  H     18.03849617     10.29280541    -14.44663065
  H      8.87408541      9.34013468    -14.72717062
  O      9.76647414      9.46746103    -14.41695872
  H     15.48577306      4.30903885    -15.92103701
  H      9.89644866      8.85465964    -13.67117266
          69
 Energy    -248.46971888595363     
  O     16.95828349     10.11590408    -10.91554310
  H     17.39753049     10.92073050    -10.61466046
  H     12.55838550     10.96512982     -4.72151157
  O     14.28388858      6.56294499     -5.83494929
  H     17.59906169      9.39418114    -10.83321313
  H     17.39639132      5.04447001    -10.57457658
  O     18.45148536     12.14512780     -9.64324498
  H     14.40125230      5.68967157     -5.46957730
  H     17.70822840      5.40148666    -12.04090066
  O     12.12810585      8.32409019     -6.43479905
  H     14.55551921      6.51497190     -6.76714957
  H     14.42152226      6.60183017     -9.24781005
  O     14.49603860      9.26831083    -11.85986672
  H     19.08048944     12.80297512     -9.92723057
  H     15.24691252      7.63155549     -8.45491142
  O     18.70977813      8.01096138    -10.47429980
  H     18.96260391     11.41059149     -9.25676379
  H     18.87286597      6.90935151    -13.83880671
  O     17.60827225      5.94160987     -8.95175051
  H     12.76055741      7.63060358     -6.20853076
  H     17.45616099      7.16687448    -13.27287192
  O     11.52080802      8.07700144     -9.20880625
  H     11.91247269      8.21331234     -7.36869835
  H     15.26249003      8.11519872    -13.13840506
  O     16.79043319     12.21266776     -7.30923635
  H     15.36850551      9.62125955    -11.63608040
  H     15.29394107      6.58637744    -13.33477514
  O     12.78710573     10.53704192    -10.10819401
  H     13.85765527      9.80144936    -11.36237284
  H     15.10996188      9.96674215     -8.28993265
  O     14.18184429     11.44113403     -7.80837961
  H     18.33352695      7.30457953     -9.93053813
  H     16.11711682      9.56698318     -9.40339587
  O     13.15535536     10.57029277     -5.35121760
  H     18.74504675      7.66885745    -11.37709178
  H     19.42682100      9.20785140     -9.18194257
  O     17.19437379      4.80049356    -11.48771265
  H     18.06989273      6.10699445     -8.11802921
  H     19.05111715      9.72301028     -7.77011885
  O     14.98372852      6.69598804     -8.47006508
  H     16.67212992      6.11917416     -8.78425985
  H     15.13438310      8.12578525     -5.07436769
  O     18.36846249      6.92642641    -13.03003522
  H     10.64600473      7.88705888     -9.54132391
  H     14.77014921      9.60783686     -4.90060386
  O     15.74737636      7.40305719    -13.57570056
  H     12.14193376      7.59161536     -9.77551270
  H     13.75424949      6.17753276    -11.35196347
  O     15.72977319      9.27887200     -8.56781727
  H     17.32591239     12.32180296     -8.10551146
  H     13.85083778      7.71650871    -11.15192208
  O     19.57472145      9.92821473     -8.55399085
  H     17.15545522     11.44624934     -6.85562112
  H     19.57295923      6.84352398     -6.14838286
  O     15.50214025      8.98345062     -4.82731228
  H     13.19937052     10.98528128     -9.35782226
  H     18.34573932      7.70475161     -6.47553280
  O     13.46578961      6.90489452    -10.78691020
  H     12.26112149      9.82177632     -9.73314344
  H     17.00045238      9.34718660     -7.31971086
  O     18.72644831      6.82195182     -6.58939796
  H     13.78825196     11.24410632     -6.94861203
  H     16.97215293      9.30564747     -5.78638041
  O     17.57513080      9.40360917     -6.53983338
  H     15.03286941     11.87285303     -7.63959700
  H     14.41013719      4.18056480    -12.86217700
  O     14.65726524      4.99057870    -12.42462203
  H     12.70383953      9.78863491     -5.71937558
  H     15.54739774      4.85013843    -12.05398076
          69
 Energy    -248.46959671462156     
  O     11.08650272      9.87651077    -13.57471244
  H     11.50572886     10.68760146    -13.26686328
  H     15.54783724      6.34567138    -15.74173852
  O     15.85834901      6.31106396    -13.91648125
  H     11.60047650      9.59763828    -14.34644178
  H     18.75297296      7.42596097    -12.85319291
  O     16.28045990      9.60273412     -9.89202873
  H     15.17132293      5.98756196    -13.31624096
  H     18.83117182      8.95430362    -12.62735743
  O     16.80091185     10.90286944    -14.08867396
  H     16.70095417      6.12606902    -13.48806188
  H     14.31991048     11.86655314    -15.71362066
  O     12.42586902      6.38600468    -16.38432739
  H     15.48409044      9.87540197    -10.36978229
  H     15.34166244     11.99188610    -14.57539903
  O     15.25720916      7.16661695     -9.14222799
  H     17.01738776      9.88266070    -10.44483323
  H     15.30632151      8.03687205    -13.85964091
  O     14.06071495      5.48458815    -11.97733163
  H     17.44031908     10.57444813    -14.73301459
  H     14.18168877      8.94906087    -14.43874945
  O     14.01733622     10.04213511    -11.48003336
  H     16.12992141     10.20566139    -14.00412000
  H      9.59216690      7.62968714    -11.96385673
  O     16.23305893      9.03398230    -17.25154810
  H     12.23641792      6.10209910    -15.47161133
  H     10.68524313      8.46669850    -12.67110219
  O     16.33084352      5.00406175    -10.26669610
  H     11.81619548      5.91853074    -16.94859995
  H     12.62970339      5.46809342    -13.21658336
  O     18.59980649      9.43198863    -15.68085265
  H     15.71153954      8.00717579     -9.30797738
  H     11.36702104      6.34565711    -13.29634435
  O     15.27523245      6.51432194    -16.65387808
  H     14.34991951      7.29420550     -9.44332505
  H     18.75369060     11.31217567    -11.54054801
  O     19.02609425      8.25367652    -13.26312783
  H     13.67836745      6.25139453    -11.52320633
  H     17.69865053     10.77672341    -12.53418984
  O     14.46324942     12.28153673    -14.85445425
  H     14.74885736      5.14252272    -11.39651277
  H     18.68545272      4.98254016    -12.41934325
  O     14.91597349      8.91824241    -13.81166160
  H     14.35160536      9.60755760    -12.28050520
  H     17.53155436      5.49941927    -11.53529088
  O     10.51761661      7.63433034    -12.19208800
  H     13.53573799     10.82018317    -11.78135078
  H     14.97023520     10.17833726    -17.29426859
  O     11.91667416      5.73884568    -13.80791844
  H     15.91975641      8.12764089    -17.11014893
  H     14.08239237     11.09956897    -18.16622328
  O     18.24062711     10.53891794    -11.76322020
  H     17.06264393      9.11569289    -16.77006930
  H     13.23468275      8.51741970    -10.89065502
  O     18.10451829      5.72842289    -12.28411293
  H     15.99471999      5.80090517     -9.81315503
  H     12.00024861      7.60479303    -11.04908832
  O     14.19843293     10.77549943    -17.27765461
  H     16.38308317      4.31767181     -9.60726179
  H     12.40876083     13.02044010    -12.56911489
  O     12.88286354      7.64467126    -10.66126664
  H     19.44628548      9.56888276    -16.09833099
  H     13.28541331     12.22108203    -13.55885738
  O     12.66895745     12.13547350    -12.80986436
  H     18.77154035      8.92661776    -14.86670770
  H     13.16209551      9.62454804    -16.28628597
  O     12.76966342      9.05290084    -15.61403671
  H     14.31966318      6.38650290    -16.66204914
  H     12.63783877      8.17445999    -15.99281555
          69
 Energy    -248.46952237138919     
  O     -6.16314738      3.22100918     -1.79073292
  H     -7.01243877      3.64827898     -1.87265941
  H     -4.47515545     -0.03215734      2.15393278
  O     -1.47788225      3.68364738     -3.57696793
  H     -6.07091353      2.96344026     -0.85670528
  H     -0.74147548      2.28927154      1.86382104
  O     -5.47890126      2.37070010      0.68205903
  H     -2.24242199      4.04934621     -3.09469360
  H      0.39359056      1.56369803      2.63009111
  O     -3.40270649     -0.86319970      0.87688063
  H     -1.37730516      4.20562331     -4.36853850
  H     -0.52210961      3.11738242     -0.34236516
  O     -0.10138006     -0.22038853     -1.44870772
  H     -5.53664253      1.74102007      1.41496455
  H     -1.51041046      4.12124646      0.36081817
  O     -2.91396027      1.27093061     -3.22440274
  H     -4.66155022      2.13823925      0.21321953
  H      2.32501067     -1.32654033      0.68571300
  O     -4.61406338     -1.76759327     -1.49107700
  H     -2.47011704     -1.09278463      0.98390478
  H      2.55971505     -2.33473701      1.83694257
  O     -2.11494492     -1.36389761     -2.90423404
  H     -3.76247871     -1.31187629      0.10022941
  H      2.20215440      0.27898651      2.14848338
  O      0.35470252      2.47965300     -1.79464833
  H     -0.32913087     -0.39774507     -0.52683518
  H      2.36741041      1.61943577      1.40786282
  O     -0.65173510     -0.81769743      1.24570244
  H     -0.73620383     -0.70431585     -1.99558959
  H     -4.68774482      0.76220350     -3.12090970
  O      2.60630917     -0.62204095     -0.89319233
  H     -2.42870248      2.03674874     -3.54436955
  H     -5.90563809      1.35084162     -2.41858912
  O     -4.97243690      0.59204564      2.70162334
  H     -2.98267269      1.37916687     -2.26108917
  H     -2.74013308      2.22399145      4.88390798
  O     -0.56885220      1.65897332      2.58005831
  H     -5.01497291     -0.97434671     -1.88747038
  H     -2.04364537      1.95795527      3.53312702
  O     -1.06974247      3.26660190      0.44011167
  H     -5.23173176     -2.48085227     -1.63176515
  H     -2.39769399      2.11709023     -0.09333128
  O      2.04813170     -1.57033911      1.58742634
  H     -2.90282773     -1.69359334     -2.45851462
  H     -3.12399641      0.72967916      0.03037624
  O      2.11572574      1.23430447      2.25630501
  H     -2.35663910     -0.47500712     -3.20552616
  H     -3.20737085      5.12497039      1.07630392
  O     -5.53532078      0.51590088     -2.72266836
  H      0.13761078      1.53367256     -1.76207370
  H     -2.58239397      6.45178076      0.57844907
  O     -2.89359177      2.18953838      3.94259435
  H     -0.18641259      2.88854498     -2.48089842
  H     -3.40214158      4.95708116     -1.32001247
  O     -3.09383277      1.56082180     -0.46321897
  H     -0.68063429      0.01130892      1.74446834
  H     -4.46346644      4.13790322     -2.10264338
  O     -2.70697832      5.53560086      0.34672532
  H      0.20464353     -1.22113643      1.43400783
  H     -3.63617748      3.61391361      2.89742666
  O     -3.61614452      4.59017368     -2.18675604
  H      2.85275909      0.30442779     -0.78562123
  H     -4.66564786      3.66041216      1.75554392
  O     -4.04426146      4.20689962      2.25563009
  H      1.71010928     -0.60126494     -1.25953872
  H      1.95084661      2.38634803     -0.93533510
  O      2.74599677      2.20876724     -0.40743662
  H     -4.31062880      1.07126399      3.21443468
  H      3.38778458      2.87166282     -0.65128345
          69
 Energy    -248.46945852546293     
  O     11.57396834     13.77450251    -12.22238403
  H     11.72418513     13.07496607    -12.87352545
  H     10.59139143     12.56169302     -9.31457028
  O     12.96447576      7.33988528    -16.31840754
  H     10.96076364     13.42262011    -11.56848810
  H     14.93652643      8.52520321    -10.48016883
  O     10.81377167     10.19886836    -10.97417086
  H     12.84948332      6.60577987    -16.91532738
  H     15.96831387      9.63982826    -10.87148180
  O     13.40192376      7.85436949    -13.59450783
  H     12.15926690      7.88531682    -16.38418450
  H     14.05573835      6.18393960    -10.95251914
  O     13.85135903     14.24955190     -8.35611626
  H     10.27135791     10.94416466    -10.69203867
  H     13.65538825      7.30310001    -11.94011475
  O     14.39487825      9.83062749    -16.64375597
  H     11.72915533     10.52449680    -10.94733509
  H     13.21770007     14.01062953    -11.53427432
  O     10.93022370      9.24326170    -13.52649292
  H     13.89585547      8.68671763    -13.66222560
  H     13.95501532     14.17105836    -10.16306156
  O     12.49766386      9.64212504     -6.95984966
  H     13.29972521      7.51879701    -14.49398557
  H     12.50131020      7.81397579     -9.79045512
  O     13.32561015     11.22904867    -10.59979671
  H     13.16279556     13.60546307     -8.14838724
  H     11.36207459      8.85264847     -9.79626933
  O     12.00758586     12.07861603     -8.28864550
  H     14.68445352     13.83700889     -8.09271907
  H     16.80497495     11.47389085    -11.64781081
  O     16.58403441     12.85200741    -10.69160658
  H     14.64889491     10.01104944    -15.72763656
  H     17.74315853     10.57411270    -12.49087569
  O      9.93182079     12.68652924    -10.01755567
  H     14.05076833      8.92939825    -16.64621806
  H     12.19497957     11.80071465    -15.00369587
  O     15.36751942      9.33468284    -10.17955570
  H     11.71656658      8.68325667    -13.48297487
  H     11.71310970     10.90150619    -13.84490954
  O     13.83777117      7.11159812    -11.00486728
  H     10.72422204      9.50284582    -12.61737193
  H     16.90841265     12.95721099     -7.16777417
  O     14.06356068     13.88212295    -11.08243721
  H     12.17267529      9.17375584     -6.19575345
  H     15.89963844     11.91190967     -7.69779785
  O     11.87068595      8.26641422     -9.21969060
  H     12.27059240      9.10113727     -7.73739116
  H     13.93948602     10.92272060    -13.77474142
  O     16.85068765     10.64726532    -12.16437137
  H     13.66291829     12.10152594    -10.84349698
  H     15.39030697     10.52219579    -13.30345330
  O     12.22036176     11.70047475    -14.04335862
  H     14.06866536     10.63842991    -10.43223500
  H     13.05338563     10.95503482    -16.88293617
  O     16.26492501     12.80089579     -7.85383907
  H     12.53319425     11.80166192     -9.05550778
  H     12.29717338     12.10639078    -17.59084131
  O     14.65638893     10.28281413    -13.88060176
  H     12.06226517     11.34191114     -7.66919725
  H     15.34584551      9.88673719     -8.42867622
  O     12.24288807     11.49452583    -16.86187654
  H     16.58621875     12.84569599     -9.72701948
  H     14.33318628     10.08357404     -7.27922657
  O     15.22089035     10.31827798     -7.57188600
  H     15.78322861     13.33134598    -10.95052763
  H     11.15845873      9.90914434    -16.59411735
  O     10.84551598      9.03923706    -16.31710665
  H      9.23509916     13.22227388     -9.64698173
  H     10.65939640      9.11329860    -15.37019645
          69
 Energy    -248.46923503228069     
  O     12.27191232     11.03060500    -16.23719290
  H     12.37361924     11.87503064    -15.78277455
  H     19.50358194     10.14570681    -13.57244878
  O     15.36718043      8.05327181    -13.15146147
  H     11.66330072     10.47772548    -15.72010049
  H     17.47882917     10.88021661    -14.98149222
  O     15.30338426     12.10920263    -11.47088805
  H     14.99521101      8.67514248    -13.79786778
  H     16.68780825     10.97106245    -16.33205940
  O     15.66176824     13.41395024    -13.87723614
  H     15.88797873      8.59003516    -12.54104392
  H     15.23389342     10.53016135    -14.97456561
  O     13.67872839      7.46000185    -17.03287352
  H     14.43954247     11.78017339    -11.76539844
  H     13.74399991     10.25101905    -15.35140362
  O     12.26504827      9.51952449     -9.32369478
  H     15.59116511     12.69251030    -12.18694720
  H     11.12564688      8.39997359    -14.88190020
  O     12.96888633      6.97995503    -12.47102230
  H     16.11619837     12.81202634    -14.48322905
  H     10.79850800      9.37245404    -13.73866102
  O     13.01954331     11.25288045    -12.67844879
  H     14.76652260     13.50360634    -14.22050318
  H     15.18638581      8.06118834     -9.51126702
  O     17.52608153      7.46140652    -14.83830347
  H     14.62901891      7.30131405    -17.08971660
  H     15.46122184      9.51954434     -9.09590483
  O     13.59215052      7.00521101     -9.76722065
  H     13.51824647      8.24382272    -17.57125920
  H     12.60157969      6.94431885    -15.77254106
  O     16.49746166      7.26491996    -17.32333319
  H     12.96995934     10.15793857     -9.16497028
  H     11.44018729      5.97567235    -15.46131934
  O     18.61443749      9.90446676    -13.82012454
  H     12.69197713      8.65302075     -9.32861251
  H     16.43706838     10.66071183    -11.62668233
  O     16.76965462     11.34576047    -15.44094650
  H     13.86079351      7.30550812    -12.67464581
  H     16.74240015      9.37334165    -10.81788843
  O     14.43306614     10.05846306    -14.70631102
  H     12.57715179      6.74318533    -13.32028212
  H     14.88418223     11.63688667     -9.77322519
  O     10.82550885      9.29943331    -14.70060839
  H     12.37949163     10.61094716    -12.34921728
  H     14.70828608     11.86938671     -8.25831985
  O     15.89184500      8.70922625     -9.39824710
  H     13.54995184     10.79857699    -13.35209150
  H     16.40113889      9.12262211    -17.69645472
  O     11.95275800      6.69048108    -15.09181512
  H     16.76830063      7.46335785    -14.23776870
  H     15.31155941     10.12448756    -18.09836569
  O     16.94272786      9.83683484    -11.64497689
  H     18.04892082      8.22960035    -14.58086732
  H     11.85393467      8.43709930    -12.10227988
  O     14.58507278     11.22154230     -8.94821906
  H     13.33902080      6.89494277    -10.69777424
  H     11.47356686      9.38950127    -10.94878833
  O     16.22700936     10.06687393    -17.80012513
  H     13.44038640      6.16328057     -9.34395434
  H     12.19205590     13.98772105    -14.28518829
  O     11.33169619      9.22389497    -11.89282419
  H     16.90763814      7.29769104    -16.44102506
  H     12.75067075     12.63589862    -13.78724878
  O     12.75940505     13.26105796    -14.53246814
  H     16.98729019      6.62224653    -17.82935938
  H     12.94778438     10.40786276    -17.72601261
  O     13.41918308      9.94490358    -18.43997513
  H     18.09404800      9.87659034    -12.99870003
  H     12.97154634     10.16609344    -19.25255854
          69
 Energy    -248.46919540559577     
  O     16.56645346     11.80397785    -17.84504752
  H     16.42005689     11.25898482    -18.61337288
  H     19.09189120     13.43869035    -17.32533888
  O     18.77781102     17.36358915    -14.74450116
  H     17.52473306     11.97137931    -17.79447647
  H     14.27835883     13.09369392    -10.65501634
  O     19.88524703     11.35411764    -15.08959710
  H     17.91518007     17.03596585    -14.45048398
  H     14.68528883     13.32312452    -12.13008270
  O     16.70768430     15.57770836    -11.24812833
  H     19.03001630     18.04120584    -14.10403693
  H     20.31494964     16.34241252    -14.41624019
  O     14.23260408     15.51170975    -15.58307010
  H     19.24395664     10.80570696    -14.62342517
  H     21.43964821     15.52977588    -15.11337955
  O     17.41231798     11.77906389    -11.47085060
  H     20.16806929     12.01366338    -14.44042328
  H     18.24301442     14.57040088    -11.00121451
  O     14.21614505     13.26874068    -13.79053423
  H     16.56303944     15.88696283    -12.15376927
  H     19.63936631     14.58529062    -10.34109981
  O     21.43450761     14.84332692    -16.82606553
  H     16.07263227     14.86424616    -11.10760908
  H     16.20282375     11.57301202    -16.03845702
  O     18.43580727     17.59626795    -10.30650648
  H     14.79672389     15.18370961    -16.30568488
  H     16.61732147     10.98208516    -14.64355462
  O     20.16331838     13.43140369    -13.27191273
  H     13.49758673     15.96114232    -15.99144087
  H     21.43443028     16.83648630    -11.19760796
  O     15.93655754     14.59563252    -17.50253111
  H     18.06359500     12.40952822    -11.13974183
  H     21.64999807     16.76866962    -12.73308130
  O     19.15926987     12.49304484    -17.48652381
  H     16.55775954     12.21538743    -11.36801447
  H     20.36728765     18.48790398    -12.35433751
  O     15.01554716     13.32600926    -11.21342143
  H     14.11938382     14.02760797    -14.37657544
  H     19.79725858     19.91548362    -12.53236500
  O     21.12206440     15.83465610    -14.25259702
  H     14.76775245     12.63078297    -14.26499797
  H     20.88313614     16.21150405     -8.76041682
  O     19.02346001     14.02439676    -10.82794434
  H     20.50137097     15.07512829    -16.93199829
  H     19.81388423     16.65021914     -9.79156177
  O     16.08313124     11.65639563    -15.08406787
  H     21.50862856     13.94255111    -17.14181638
  H     17.69606723     10.66617912    -12.77767049
  O     21.65011795     17.36767701    -11.97323035
  H     18.65710369     18.12205670    -11.08416533
  H     17.82434446      9.19140211    -13.22472677
  O     19.56573666     18.99183989    -12.58643932
  H     17.72986276     16.98954274    -10.56797668
  H     17.18390476     13.08459835    -14.69441874
  O     20.57223719     16.05411208     -9.64802374
  H     19.85317902     13.58840233    -12.37034521
  H     18.52550499     13.60724766    -14.06487205
  O     17.80112944     10.08590570    -13.55381568
  H     20.58313941     14.24852674    -13.57404499
  H     18.69236939     16.17560642    -16.28768976
  O     17.72307367     13.86768006    -14.53467786
  H     16.04887124     13.65643659    -17.69209338
  H     18.31787439     14.72436679    -15.96361776
  O     18.61968282     15.29955380    -16.68764936
  H     16.82577381     14.95691332    -17.40952244
  H     16.84684581     15.30298011    -14.07634591
  O     16.41146465     16.15995368    -13.92807551
  H     19.45243950     12.08099712    -16.65636940
  H     15.59182755     16.12642273    -14.43384511
          69
 Energy    -248.46915979122241     
  O     16.45558966      9.83245357    -16.82736507
  H     15.51050082      9.67237776    -16.75764014
  H     16.72330679      6.80841426    -15.29733567
  O     16.09330598      4.97755754    -13.06411697
  H     16.88985777      9.13273586    -17.34154342
  H     18.71507125      4.81888992    -11.31848719
  O     17.09910747     13.54101067    -11.55499824
  H     15.22944903      5.32888345    -12.82322662
  H     17.59152374      5.31540022    -12.25723267
  O     20.00000902      8.70547347    -14.44023141
  H     16.19937613      5.17938094    -14.00423399
  H     21.02293568     10.29659095    -17.46476687
  O     13.72758154      6.89840732    -15.40359288
  H     16.28049358     13.12914214    -11.25312122
  H     19.69602445     10.62152957    -16.73814031
  O     16.79306810     10.45831497     -9.58448571
  H     17.80202747     13.16909788    -11.00580378
  H     16.64840956      8.41286039    -13.85560165
  O     15.46671511      8.45497165    -12.46417099
  H     20.25267461      9.10566387    -15.28107401
  H     16.98512284      8.98701879    -15.28136055
  O     17.53782906     11.78334760    -13.63421441
  H     19.04050494      8.55508332    -14.48613532
  H     14.13123084     10.21341543    -14.98870066
  O     19.88781497      5.91698668    -14.35185093
  H     13.74021659      7.84510327    -15.58922071
  H     13.07743705     10.24040104    -16.11439128
  O     13.60549165      6.40289611    -12.76170850
  H     14.58987470      6.54449934    -15.66351412
  H     18.05176385      7.26010539    -11.16109200
  O     18.85692861      5.46451306    -16.83703192
  H     17.08088246      9.58230088     -9.86998581
  H     16.87470975      8.22356766    -11.43395264
  O     16.37121473      5.98536806    -15.66989436
  H     17.58258396     11.01332016     -9.61885706
  H     19.29812320     11.36569378    -10.91121082
  O     18.44918185      5.55639418    -11.86253059
  H     14.75793416      7.80124992    -12.51030023
  H     19.94445472     12.20711972     -9.78724327
  O     20.31852275      9.90347064    -16.95716273
  H     15.12564022      9.31134099    -12.75037835
  H     19.73218002      9.66850407    -12.91154609
  O     17.27466142      8.37679231    -14.58895913
  H     17.41736373     12.52764227    -13.02685712
  H     18.77479098      9.39624624    -11.72249230
  O     13.80979500      9.73401795    -15.76949348
  H     18.11592352     11.15362669    -13.18585380
  H     15.46999676     11.30715553    -10.37507240
  O     17.71266495      8.13847288    -10.95197637
  H     19.44253594      5.75505259    -13.51265408
  H     14.16155088     12.10847627    -10.19365680
  O     19.11006710     12.00447570    -10.20205599
  H     20.11481749      6.85723953    -14.34917772
  H     19.03262290      8.63503951    -17.67909377
  O     19.29086961     10.08828385    -12.16139628
  H     12.74913784      6.10465911    -12.46969891
  H     18.48180582      7.19626867    -17.60956384
  O     14.81976789     11.86441952    -10.83924464
  H     13.54929930      6.53274372    -13.72672308
  H     14.68655570     11.34897283    -12.63218037
  O     18.27073535      8.08792298    -17.90926353
  H     19.25705843      5.58058976    -15.95657112
  H     15.79854104     11.22931215    -13.69208606
  O     14.88446687     10.96942359    -13.49889163
  H     19.33537474      4.75962761    -17.26453835
  H     17.66643081     11.17524535    -16.61498518
  O     18.41512922     11.70087043    -16.29657574
  H     17.09047742      5.62417492    -16.19971025
  H     18.20253136     11.88794948    -15.37328437
          69
 Energy    -248.46906885577289     
  O     14.82906997     12.56903248    -11.91137461
  H     15.72258222     12.20977033    -11.85550500
  H     13.80668859      6.47619699    -15.99447633
  O     18.08784484      8.38157860     -9.29622601
  H     14.53211021     12.63656821    -10.99564385
  H     11.64519941     10.40232838     -8.86971267
  O     16.86563945      6.81712880    -11.36716810
  H     17.40091490      9.03208539     -9.10498709
  H     11.70716607     10.95276820    -10.31312264
  O     14.19467760      4.15983775    -10.87145823
  H     17.81817976      7.92747884    -10.10607582
  H     15.02336810      9.26647147    -14.22070494
  O     17.69912674      6.22231484     -7.61002758
  H     16.40833992      6.50052439    -10.57735020
  H     13.86960465     10.18394860    -14.65711565
  O     17.19621090     11.13230003    -11.29946529
  H     16.49677531      6.29721941    -12.09882181
  H     16.18751240      5.85061469     -8.50356935
  O     14.19849533     12.48099548     -9.12209484
  H     14.28383271      3.24488487    -10.61841389
  H     14.89851187      6.62708165     -8.91399510
  O     10.17404046      7.53968611    -10.19542144
  H     14.65053875      4.68506242    -10.19085437
  H     10.87209358      9.87046804    -12.39376049
  O     15.90205695     10.24479007     -9.02742767
  H     17.94934965      7.01287252     -8.11658644
  H     12.01989503     10.88130906    -12.75887358
  O     13.52293990      8.40229568    -11.53275876
  H     18.50941531      5.87378533     -7.24831692
  H     11.87965150      6.69788928    -14.37994955
  O     12.15358338      5.99299380    -11.37334847
  H     18.13613090     11.10694114    -11.13501924
  H     11.35798497      6.24068031    -13.01523811
  O     13.61131832      6.75363716    -15.10240497
  H     16.76786062     10.81079240    -10.48795160
  H     10.08719319      7.93879409    -13.27440959
  O     11.87031918     11.18350652     -9.38783949
  H     13.33499414     12.03134364     -9.17962465
  H      8.72961838      8.68054968    -13.24429997
  O     14.31920720      9.36212715    -14.87949271
  H     14.07775955     13.23985495     -8.55804921
  H     10.87600447      8.29409272     -8.80395187
  O     15.43139240      5.84311722     -9.10789803
  H     10.80067047      6.87238723    -10.51159645
  H     10.82812329      8.54932656     -7.27924271
  O     11.62036628     10.37116175    -12.04283023
  H      9.83146920      7.96368294    -10.98906850
  H     14.87859511      4.91734323    -12.56068220
  O     11.07530796      6.63997853    -13.85014692
  H     15.38082032     11.05471106     -8.94573784
  H     14.74040127      5.84424936    -13.79743591
  O      9.58788048      8.64912931    -12.83122326
  H     15.27602558      9.51865642     -8.89737102
  H     13.76201159     12.10284844    -13.20857529
  O     11.34422206      8.71922283     -8.06242709
  H     14.33794157      8.63864917    -11.99126441
  H     12.96049163     12.56001360    -14.44869243
  O     15.37924737      5.43539424    -13.20198304
  H     12.86792490      9.08751755    -11.72057506
  H     13.84206709      8.29604531     -9.80937392
  O     13.13819073     11.80420631    -13.89498232
  H     12.69262087      6.79150627    -11.48940124
  H     13.15062080      8.34647678     -8.42842988
  O     14.00403163      8.21060967     -8.85584427
  H     12.75805135      5.27085381    -11.17099163
  H     16.43823958      9.80456573    -12.32487744
  O     15.99064281      9.04394690    -12.71253682
  H     13.83018082      7.70105046    -15.05616924
  H     16.36722087      8.25650150    -12.29454349
          69
 Energy    -248.46905801234908     
  O     10.65805975      9.35415720    -11.28146299
  H     10.46764981     10.03666178    -10.64306844
  H     17.76261832      5.83613981    -15.06486746
  O     14.28696116      7.42637565    -15.71201999
  H     11.61138714      9.40032605    -11.46395762
  H     17.28617059     11.59294444    -14.14686900
  O     18.57910186     11.24398383    -15.55240184
  H     14.83609604      7.37103017    -16.50267614
  H     15.75682683     11.64014120    -14.25318635
  O     12.76771955      9.51322255    -14.79656550
  H     14.89659562      7.65820788    -14.99320983
  H     15.99171252      8.67386866    -13.03291237
  O     13.68765891      6.51868984    -11.32969180
  H     17.91245202     10.92417842    -16.18824238
  H     16.99491826      8.35650815    -14.16284519
  O     12.83479495      5.21785185    -14.79031133
  H     19.14568440     11.84905410    -16.02243831
  H     11.84558628      6.42211092    -11.17350422
  O     15.95203054      9.90035711    -11.58839426
  H     13.18592813      8.74830349    -15.21744863
  H     10.67887329      7.42846764    -11.13064427
  O     16.59736859     10.26433145    -17.09937286
  H     11.82763063      9.32004242    -14.66866523
  H     18.85032552      5.54325134    -10.69194804
  O     14.43632236      4.25107723    -12.87911960
  H     13.95981354      5.74388396    -11.83383300
  H     17.83624817      5.86760860    -11.81455431
  O     18.80045094      8.68429175    -14.46809838
  H     14.43031862      6.76856899    -10.75912327
  H     10.45300511      6.10168978    -12.92392522
  O     16.34199868      7.43902110    -17.60661108
  H     11.94131373      5.49976327    -14.56006087
  H      9.48959385      5.43515102    -13.93569966
  O     18.08375404      6.35968898    -15.80757869
  H     13.28063535      5.97451769    -15.19428181
  H     18.66166702      8.01452241    -11.39975444
  O     16.48230624     11.63478013    -13.61600780
  H     14.98949167      9.80005541    -11.61659289
  H     17.90263224      9.34967534    -11.53493820
  O     16.12884619      8.11527556    -13.80503649
  H     16.17449353     10.60605606    -12.21857394
  H     16.11261110      4.95697823    -13.18512388
  O     10.88702434      6.49834896    -11.28133197
  H     16.47187249      9.32934440    -17.29739944
  H     16.58648529      6.40825341    -13.44050258
  O     18.23742366      6.20709293    -10.99712933
  H     15.78887616     10.58453682    -16.67958086
  H     15.99318215      8.36024904    -10.35367282
  O     10.25956055      5.99469332    -13.87278497
  H     13.85159836      4.52991540    -13.60816506
  H     16.70219709      6.99944465    -10.21104353
  O     18.74189243      8.91891572    -11.73027465
  H     14.18756066      3.36020284    -12.64883869
  H     13.96600424     12.20921725    -15.97588079
  O     16.90145085      5.50206919    -13.29832692
  H     18.85656603      9.56665664    -14.85454421
  H     13.79794318     10.81576240    -15.33151543
  O     15.88382505      7.46810034    -10.00434963
  H     18.92682522      8.78060607    -13.51211102
  H     13.42304680      8.22746527    -11.90385088
  O     14.45515120     11.46606472    -15.63086609
  H     16.48881114      7.06523136    -18.47148234
  H     13.17225123      9.30129925    -13.01707087
  O     13.30868468      9.17606501    -12.06767412
  H     16.97992734      7.01328093    -17.00631609
  H     10.16230808      7.87225849    -14.12022571
  O     10.22562431      8.83581921    -14.09197676
  H     18.52177382      7.12763897    -15.41060319
  H     10.18807841      9.07450872    -13.15761973
          69
 Energy    -248.46903160189981     
  O     13.25509073      3.94163916    -13.80868644
  H     14.21329506      3.92704970    -13.69240999
  H     14.02095370      9.45366614    -13.33888901
  O     16.76006593     10.67780303    -13.14833013
  H     12.88578756      4.07155525    -12.92694804
  H     16.13390807      7.87049888    -10.34320628
  O     17.84536698      8.11726462    -10.84123185
  H     17.19820573      9.86829080    -13.44556388
  H     14.91415065      8.66850080     -9.81670032
  O     14.66668166     10.42819769     -9.58441623
  H     15.85084134     10.63755201    -13.46781785
  H     14.43713969      7.86521708    -11.74302047
  O     12.62427041      9.49577933    -16.05174862
  H     17.88495848      8.09402451    -11.80927557
  H     13.10210982      7.53369200    -12.46069776
  O     18.77775921      4.03004603    -12.58500445
  H     17.83535591      9.04964171    -10.59333609
  H     11.57241172      4.60602681    -16.36586336
  O     13.94984771      7.20489219    -16.59641236
  H     14.09536566     10.87482795    -10.22050450
  H     12.47786269      4.76728541    -15.12493488
  O     15.06478788      5.07426230    -10.56479502
  H     15.57092604     10.68688583     -9.80986630
  H     15.82967700      5.82284947    -14.11214464
  O     11.53011132      9.28861708    -10.35422914
  H     12.32897029      9.90314588    -16.86151499
  H     15.01990250      7.10654037    -13.83583406
  O     19.80160036      6.20067491    -14.07681135
  H     13.14286288      8.71080537    -16.30755605
  H     17.92479489     11.62314744    -10.36858595
  O     12.86733762     11.48017619    -11.56202956
  H     18.54549737      4.48120285    -11.75209558
  H     17.11836617     10.89484711    -11.47181212
  O     13.99647030     10.32438061    -13.76745335
  H     19.20899560      3.21484173    -12.34200116
  H     18.64229412      7.57875467    -13.83053061
  O     15.19314251      7.79557375    -10.12656030
  H     13.31545868      6.48922560    -16.46178757
  H     17.10740285      7.67043029    -13.98402538
  O     13.99834307      7.85934894    -12.60405683
  H     14.66395680      7.03600900    -15.96644657
  H     16.98545838      5.13755923    -10.25353679
  O     12.02969321      5.25537492    -15.83824290
  H     14.14345119      4.80847568    -10.67279797
  H     18.01623594      6.28054095    -10.42202617
  O     15.66028635      6.71219958    -14.44798166
  H     15.04039045      6.01059429    -10.31713097
  H     11.43944498      8.30745763    -15.01471851
  O     17.31976701     10.90151657    -10.51737226
  H     12.00035181      9.27300291     -9.52089204
  H     11.26717645      6.77797641    -15.02435958
  O     17.87803654      8.13447640    -13.62657858
  H     11.87591141     10.06313858    -10.81916305
  H     16.91737064      4.08315966    -13.05388465
  O     17.92579228      5.31940873    -10.37335479
  H     19.49237082      5.41686863    -13.59924080
  H     15.69767802      4.57264285    -12.23454944
  O     10.99325238      7.58252975    -14.56369622
  H     20.31497272      5.87608734    -14.81306012
  H     11.66279097      4.10701574    -10.69034141
  O     15.97819164      4.28799868    -13.11736287
  H     12.58641977     12.37721003    -11.72301663
  H     11.95523113      5.44192474    -11.41390731
  O     12.33433994      4.57684158    -11.17834883
  H     13.25310741     11.15261124    -12.39157111
  H     11.32984384      7.80301469    -11.37176606
  O     11.41035398      7.02019661    -11.93502988
  H     13.54387756     10.18932065    -14.60891540
  H     11.11646941      7.24454760    -12.83176695
          69
 Energy    -248.46886528917491     
  O     -7.04914526     -3.26132109      5.67842280
  H     -6.13202834     -2.98915250      5.79829356
  H     -3.20875160      1.40359474      2.05963067
  O    -10.31525721     -2.90843639      2.81922698
  H     -7.58236255     -2.61151969      6.15813590
  H     -6.82483748     -1.00721796      3.04071746
  O     -7.97357771     -4.27613298      3.39926671
  H     -9.52238073     -3.43184274      3.01684552
  H     -7.27551837      0.48255645      2.94006427
  O     -5.76770442      0.92674737      0.19307324
  H    -11.05915124     -3.50447568      2.86759090
  H     -3.66301062     -2.45335061      6.41532710
  O     -5.98963675      0.23203504      5.98667630
  H     -7.65180299     -3.92329266      4.25167444
  H     -4.18508899     -2.03000140      5.02047776
  O     -5.34608238      5.37855107      1.71588165
  H     -7.79720610     -5.21300980      3.40630621
  H     -1.15549917      2.92701722      1.50120137
  O     -8.39019346     -1.12592157      6.86569569
  H     -6.16245949      0.11858845     -0.14880904
  H     -2.41143234      3.41191213      2.26780128
  O     -3.91873750     -1.77651296      3.33318954
  H     -6.47377670      1.35032856      0.70964227
  H    -10.09125007      4.22982994      4.63529288
  O     -4.44083723      3.44331230      0.02536728
  H     -6.41326142      0.05634881      5.13041875
  H     -8.83013917      3.97110735      3.80006890
  O     -9.78413297     -0.61752235      4.42528651
  H     -5.38790785     -0.50917237      6.13111132
  H    -10.28308061      2.27306760      2.95718411
  O     -7.37180586     -1.39482698     -0.34945022
  H     -5.42040381      6.20681843      1.24950224
  H    -10.24942944      0.75944411      3.27114255
  O     -3.94480777      0.84001341      2.32924057
  H     -5.08028971      4.71013532      1.05935593
  H     -6.86696034     -3.14909554      2.37415024
  O     -7.18640910     -0.26678107      3.54221147
  H     -9.02824431     -0.87649094      6.18509105
  H     -6.63737267     -2.20199652      1.14898724
  O     -4.43795442     -2.14422130      5.95477465
  H     -7.64379713     -0.52131864      6.76620112
  H    -10.05099680     -0.05964474      1.28498087
  O     -2.10029447      2.81832729      1.56045318
  H     -4.64573185     -2.14125376      2.81146711
  H     -9.98970183     -1.58717438      1.47117593
  O     -9.78613204      3.81411648      3.83204086
  H     -3.81333843     -0.86664058      3.02465022
  H     -3.93850203      4.86471826      2.95081945
  O    -10.30074608      1.39716745      2.54448142
  H     -3.57077439      3.22916703      0.38548486
  H     -3.79713145      3.74074754      3.99424286
  O     -6.29455612     -2.46080126      2.01402118
  H     -4.89213662      2.59894582     -0.09848266
  H     -5.26846751      1.73376594      5.16889047
  O     -9.74695738     -0.87441922      0.86735377
  H    -10.09835227     -1.42399439      4.00021778
  H     -4.66960406      1.79741895      3.74467294
  O     -3.28739879      4.36124822      3.45522487
  H     -8.85788841     -0.52001763      4.14959947
  H     -7.43325954      2.67682887      2.36025535
  O     -4.98854697      2.34554743      4.47626261
  H     -7.55774979     -1.75225247     -1.21386625
  H     -8.61484851      1.74934059      1.95702438
  O     -7.66808506      1.89986812      1.83675359
  H     -8.23079396     -1.15454965      0.04255736
  H     -6.34262146      3.45782085      3.96151296
  O     -6.99887292      4.00577280      3.50634848
  H     -4.55215955      0.79669176      1.57785086
  H     -6.51083319      4.59026470      2.91121851
          69
 Energy    -248.46882395316345     
  O     12.81237635     10.90443203    -12.39932230
  H     12.98555766     10.38441604    -11.60514451
  H     20.18725492      5.70118223    -16.13378767
  O     16.72004113      5.61481191    -12.85079014
  H     12.32514316     10.34383408    -13.01490078
  H     14.53553724      9.91912678    -16.24512056
  O     19.11063701      9.81772776    -13.65081812
  H     17.58308299      6.04874228    -12.86865096
  H     14.21482084     11.12601035    -15.33138147
  O     15.85259719      8.62112195    -16.46836725
  H     16.34859574      5.71994820    -11.96275484
  H     15.87342282      7.05621646    -13.58198882
  O     12.74307747      7.02249338    -13.67187632
  H     18.19378831     10.01870011    -13.39502852
  H     14.43942957      7.61521395    -13.76551672
  O     15.64034007      6.17981557    -10.39414412
  H     19.66675832     10.46890002    -13.23121714
  H     12.96320086      9.56228240     -9.23930702
  O     16.50696553     10.14240934    -12.97551452
  H     15.66920981      8.29642645    -15.57367131
  H     13.18677124      8.49307222    -10.33546666
  O     15.05952288      6.37566567    -17.79237563
  H     16.80812789      8.76820077    -16.51471505
  H     17.97012912      8.16399352    -10.27355079
  O     17.76205380      5.46820986     -8.80323311
  H     12.26800750      7.77879496    -14.03853183
  H     18.96039610      7.37685057    -11.16758840
  O     17.19170722      4.92200564    -16.57973188
  H     12.89539780      6.37822021    -14.38059547
  H     13.80924814      6.44635263    -10.70914977
  O     15.67248760      3.73455107    -14.51272277
  H     16.26122728      5.80714960     -9.75173760
  H     12.82233426      6.83196867    -11.84681874
  O     19.44740459      6.13045827    -15.71209300
  H     15.82491332      7.12971780    -10.43103931
  H     18.83908984      9.27543379    -15.47321004
  O     13.81810340     10.48811446    -15.93664440
  H     15.97188077     10.89960423    -13.24235047
  H     18.92996512      7.91791750    -16.18470815
  O     15.37536345      7.82932869    -13.87396578
  H     16.06843199      9.34350772    -13.30976008
  H     19.12352117      8.01351921    -13.24160350
  O     13.41801083      9.39997029    -10.06169447
  H     15.32029322      7.22763665    -17.40220809
  H     19.30760159      6.65338517    -13.93209946
  O     18.75392171      7.59990106    -10.25207904
  H     14.82709363      6.54802121    -18.70095943
  H     15.29756489      9.18782626    -10.20583758
  O     12.96616123      6.88253541    -10.89163319
  H     18.23393374      6.19075965     -9.25174218
  H     16.35146985      9.42974268    -11.29717198
  O     18.58660232      8.81477774    -16.28250323
  H     18.16120978      5.38817303     -7.94127969
  H     13.94532595      5.62967815    -16.41746041
  O     19.08466797      7.06059792    -13.08377158
  H     16.71009695      4.39692654    -15.92833922
  H     14.17333858      4.66563425    -15.24212521
  O     16.19533050      8.95077436    -10.47201552
  H     16.51776998      5.38240480    -17.09392627
  H     14.03170302     11.76988508    -13.23889366
  O     13.52812934      5.27399629    -15.62383508
  H     15.65343190      2.88352738    -14.08288839
  H     14.68571079     13.09231073    -13.71544366
  O     14.75409910     12.14388424    -13.77823513
  H     16.05484389      4.36292995    -13.87549775
  H     10.88387171      9.66166273    -15.05085946
  O     11.69800061      9.43650288    -14.60854745
  H     18.64550723      5.67883683    -16.03094940
  H     12.42261482      9.79514091    -15.15222680
          69
 Energy    -248.46865688843945     
  O     -8.39489585     -1.24390097      6.05048567
  H     -8.22559030     -2.01891625      5.50024883
  H     -4.21693764      1.12292712      1.34208819
  O     -9.58771506     -1.38003030      2.91050844
  H     -7.52781023     -0.87329337      6.25411251
  H     -7.76671135      1.35750955      3.66738359
  O     -8.01622145     -3.34671316      4.12197114
  H     -9.13058944     -2.14401259      3.28651867
  H     -8.22720784     -0.03934664      3.10249597
  O     -5.38162278      1.01407782     -0.07121917
  H    -10.14759016     -1.01597607      3.60781577
  H     -5.38818587     -0.41832784      5.48022746
  O     -5.87287144      2.52760598      5.96698140
  H     -8.06868265     -4.29300864      4.22328688
  H     -5.06347564     -0.65962202      6.97302189
  O     -4.95526186      5.62619652      0.41237821
  H     -7.29033206     -3.17035066      3.49610291
  H     -0.74649259      3.04518672      0.89779187
  O    -10.23209079      1.88521096      0.64163554
  H     -6.15572836      1.53518287      0.18908654
  H     -1.99278223      3.76266063      1.47171685
  O     -5.04996816     -0.45157999      3.73392985
  H     -5.70133742      0.11224869     -0.19230170
  H     -7.75231838      3.67856944      3.74783515
  O     -3.94725945      3.36599641     -0.74777376
  H     -5.87888056      1.59803492      6.21989319
  H     -9.05977119      2.91453946      4.12516798
  O    -10.69830156     -0.12359240      5.12960749
  H     -6.74434861      2.71858431      5.59305603
  H    -10.60268551      2.02360174      2.58512236
  O     -6.65316671     -1.51013132     -0.20467197
  H     -4.64285023      4.83418216     -0.06046644
  H    -10.73221981      1.44559635      4.02510197
  O     -3.61045419      1.22272174      2.09033612
  H     -5.00622765      6.32719161     -0.23188138
  H     -5.57505438     -1.98468044      2.83802851
  O     -7.50351872      0.59700333      3.12922782
  H    -10.66292403      2.50133336      0.05376081
  H     -6.24780492     -2.31652245      1.48857084
  O     -5.73043149     -0.31411527      6.38448507
  H     -9.29676177      2.14868741      0.68382575
  H     -9.64233411      0.09473346      0.20453085
  O     -1.69260909      2.97308205      0.98570907
  H     -5.91392510     -0.06906234      3.50501131
  H     -9.42914349     -1.09651064      1.13872490
  O     -8.12780878      3.03563733      4.36181956
  H     -4.38950732      0.04350493      3.23253322
  H     -3.32081786      4.58018481      2.97245351
  O    -10.60466449      2.25843735      3.52016989
  H     -3.10386312      3.20943330     -0.30463265
  H     -3.49197275      5.43626484      1.70451014
  O     -6.08105272     -2.66451370      2.37221679
  H     -4.42885777      2.53082897     -0.69501661
  H     -4.19131014      2.55718404      3.27734635
  O     -9.22435828     -0.77191404      0.24940944
  H    -11.39519683     -0.25694014      5.76680474
  H     -4.83114291      3.05616938      4.61919694
  O     -2.82599602      5.06351433      2.29426165
  H     -9.87757046     -0.44707294      5.54364739
  H     -7.52723611      1.64171428      1.67663363
  O     -4.43651981      3.34232739      3.78264355
  H     -6.63786612     -2.08379632     -0.96715889
  H     -7.23341047      3.14156087      1.41005736
  O     -7.55246690      2.32967235      0.99238425
  H     -7.57959248     -1.23324625     -0.08566362
  H     -6.14041923      5.01128810      1.73777053
  O     -6.55786492      4.46427974      2.41460845
  H     -2.84047921      1.69829600      1.75602183
  H     -5.82648758      4.08752098      2.92885410
          69
 Energy    -248.46826598606316     
  O     11.88153594      8.55262308    -14.34745764
  H     12.55260272      7.92672668    -14.64659530
  H     19.48223394      9.53518437    -13.40898495
  O     17.10236790      6.12811473    -12.57353677
  H     12.25677038      9.43261104    -14.46969328
  H     14.21955521     10.47764642    -16.03475997
  O     16.99563216     10.54372016    -10.81261328
  H     16.82307300      6.94010373    -13.02435108
  H     15.70795256     10.25952208    -16.35968100
  O     17.30892334     10.21123752    -15.46199933
  H     18.02903104      6.23517809    -12.32970110
  H     15.50356422      8.91990968    -13.28729789
  O     15.17251738      9.81353006     -8.85493717
  H     16.36169153     10.53010469    -10.08152167
  H     16.45228157      8.83130848    -14.50110776
  O     14.97857552      6.24108742    -10.82108477
  H     17.59797582      9.80712893    -10.61576523
  H     11.25194689      8.00540090    -12.82765655
  O     14.69526480     10.24044606    -12.34819774
  H     17.67561761     10.64592097    -14.68172865
  H     10.09073408      7.60968493    -11.88105414
  O     17.23785436      6.71627232    -16.84460023
  H     18.02108223      9.69969767    -15.86943627
  H     17.83583684      7.89629843     -9.49721107
  O     16.33040281      7.15361071     -8.60197647
  H     15.61267081      8.99734714     -8.58682854
  H     18.95334566      7.77008356    -10.56454864
  O     19.24284131      8.42724809    -16.38714288
  H     14.38718834      9.51579941     -9.33170686
  H     12.19359663      6.11601508    -12.31623503
  O     16.31978013      4.87403420    -14.97101428
  H     15.76576189      6.15759343    -11.37881089
  H     13.23231491      5.81687902    -13.41201764
  O     19.91339029      8.70634490    -13.64552119
  H     14.25127411      5.85190338    -11.32817170
  H     18.96470212     11.95555048    -12.90548935
  O     14.81448427     10.11451721    -16.70117304
  H     15.50248157     10.44144006    -11.85691383
  H     17.94492981     11.00299550    -12.25301990
  O     15.97139919      8.29719374    -13.85840941
  H     14.14229385      9.69454360    -11.76902687
  H     20.57374083      6.19213521    -11.84426602
  O     11.04072111      7.63083448    -11.95295245
  H     16.39146988      6.99888208    -17.20752944
  H     19.88365216      7.40074952    -12.52614023
  O     18.46089769      8.40346022    -10.03058100
  H     17.03408690      6.00200082    -16.22418401
  H     14.07132045      6.86188469    -15.92770294
  O     12.94466267      5.54922241    -12.53067528
  H     16.28700467      6.54051971     -7.87235373
  H     14.68656740      7.22977917    -14.56191860
  O     18.46678220     11.15528364    -13.05776203
  H     15.81523912      6.75922871     -9.32542981
  H     12.49070348      8.27979831    -10.98468902
  O     19.75821849      6.68378384    -11.87750116
  H     18.55387561      7.75976003    -16.56482717
  H     13.92966442      7.77091750    -10.70518553
  O     13.98347686      6.70612357    -14.97775223
  H     19.84810682      8.40064660    -17.12278919
  H     12.88925493     11.92497013    -14.39141240
  O     13.35793933      8.55073418    -10.65980977
  H     15.41038438      5.18875232    -14.98395715
  H     13.78232629     10.84687977    -13.73505888
  O     13.23974298     11.04660263    -14.51704473
  H     16.65935837      5.12507118    -14.10084676
  H     14.16736038      7.53428479    -18.42661896
  O     14.58401487      7.56556827    -17.56987649
  H     19.74732556      8.56552774    -14.58617263
  H     14.63511574      8.50452014    -17.31332120
          69
 Energy    -248.46821545270436     
  O     12.87847803     12.73651048    -14.62913763
  H     13.56261853     13.33529293    -14.94978353
  H     18.44277980     11.68406913    -15.04315153
  O     18.09640431      7.15753101    -13.97628767
  H     12.79040941     12.07043577    -15.32295985
  H     16.92231798      9.17518693    -18.13373397
  O     18.85119510     11.57386889    -11.32989948
  H     18.08832609      7.48435778    -14.88194920
  H     16.99010403      9.41971501    -19.65699932
  O     16.77525031     14.22030215    -13.66015995
  H     17.35675397      6.54155665    -13.89965802
  H     15.83980553     11.43622783    -12.82826377
  O     15.73884065      5.55526274    -13.66738441
  H     18.71977139     10.65026325    -11.59350027
  H     16.71238965     10.13533402    -12.88474237
  O     15.71995370      9.07850436    -10.32776681
  H     19.02439071     12.06170609    -12.14211562
  H     14.16957626     11.23287684    -16.82203488
  O     14.54554922      6.79315114    -11.52656192
  H     16.24919001     13.85580269    -12.93529621
  H     13.31297789     10.01404470    -17.19559745
  O     12.59160718     12.21361145    -11.97444504
  H     16.18988826     14.26435286    -14.42505280
  H     17.21845192      8.85792234    -11.41308045
  O     13.91749191      8.52134255    -18.06689328
  H     15.29742245      5.96592087    -12.90430783
  H     18.03655246      8.35568441    -12.66859675
  O     17.49911581      8.51794381    -16.53802218
  H     15.69642781      4.61217640    -13.53134367
  H     13.40189956      9.30771955    -12.66281394
  O     15.08788923      7.31083110    -15.77287989
  H     14.88670440      9.27294793    -10.78318749
  H     12.91747472     10.32619557    -11.63495258
  O     17.77845196     11.10208366    -15.42822108
  H     16.02613580      9.91132835     -9.95010960
  H     14.36649609     12.65814053    -11.68409421
  O     16.47847181      9.61794834    -18.87662508
  H     13.79529941      7.38618327    -11.64099926
  H     15.71706097     12.49541152    -10.90322320
  O     16.08473328     10.68235541    -13.37807694
  H     15.12853229      7.28806197    -10.93745468
  H     18.34118696     13.48027959    -13.77880134
  O     13.32127816     10.80747306    -16.63998246
  H     11.81028858     12.66566083    -11.66650809
  H     19.87343008     13.61270345    -13.95606851
  O     17.91361760      9.08561419    -12.04491860
  H     12.64716052     12.37859436    -12.93349163
  H     17.55792105     11.68436545    -10.17897787
  O     13.25648660      9.42748107    -11.71149361
  H     14.71232209      8.84007678    -18.51096968
  H     17.02710904     11.96797796     -8.75252132
  O     15.31951224     12.80829205    -11.72627291
  H     14.23555493      7.92810534    -17.37292013
  H     16.02622150     11.26323503    -17.98827954
  O     19.17320279     12.97575323    -13.84111602
  H     17.64932862      9.36690156    -16.09791639
  H     16.59164657     11.69106826    -16.62640106
  O     16.76089791     11.66592871     -9.61672281
  H     16.65191936      8.15298389    -16.23794227
  H     15.34185538     13.42552334    -16.48447100
  O     15.89310685     11.89131931    -17.26847041
  H     15.26057822      6.57601660    -15.17374638
  H     14.85346462     14.88878745    -16.51003667
  O     15.03020473     14.15518933    -15.92497837
  H     14.63869595      7.98472949    -15.23941951
  H     14.71831770      9.82542599    -14.02059858
  O     13.94458337      9.34860465    -14.36252173
  H     17.12481634     10.96836621    -14.72268571
  H     13.61582540      9.85663355    -15.11488302
          69
 Energy    -248.46817773265843     
  O     11.91716529      9.76211730    -10.57100775
  H     11.74403212      9.16230817    -11.30718188
  H     14.31364149     14.98746446     -9.89521799
  O      8.44447419      9.62492151    -11.88085326
  H     11.30330943     10.49818982    -10.68003560
  H     11.35328214     12.93141210     -8.70394869
  O     14.34879887     10.87612547     -9.98568518
  H      7.55646122      9.52110723    -12.21348587
  H     10.28064339     12.71424469     -9.81074867
  O     15.27803643      8.38388091     -9.09329570
  H      8.45428109      9.26271074    -10.97907915
  H     12.31568985      8.88835234     -9.02493679
  O     11.97165206     15.46054164    -12.62969821
  H     13.51883138     10.47689834    -10.29527110
  H     12.53996312      9.14680983     -7.51249279
  O      8.58238361      8.68827091     -9.27831822
  H     14.88416703     10.14545139     -9.65529857
  H     12.38932796     10.87529999     -5.54613809
  O     11.98474780     12.70341819    -13.15282612
  H     15.84794198      7.81612127     -8.58159044
  H     12.57594417     11.39453390     -6.99016511
  O     14.56367453     14.76501430    -11.60332252
  H     14.38502042      8.29828627     -8.71775789
  H     14.80798083     11.33395704    -13.02708314
  O     10.74546977      6.67639920     -9.21091587
  H     11.68331556     15.53298480    -11.70219951
  H     14.62967639     11.71412442    -11.54452687
  O     11.39369319     15.57371096     -9.97508589
  H     11.65877831     16.24155778    -13.07787600
  H      9.97776467      8.78392188    -12.66152074
  O     14.60656908      7.88187733    -11.87581191
  H      8.97051410      9.39659163     -8.73439275
  H     11.24171935      9.04151367    -13.53755363
  O     14.05398361     15.12348600     -8.96564429
  H      7.90146395      8.28313751     -8.74572306
  H      9.49920832     11.17234681    -11.64533479
  O     10.43585418     13.12249228     -8.94344572
  H     12.89026709     12.48503908    -12.88892360
  H     10.72043755     12.08970909    -12.03278447
  O     12.66720205      8.49328097     -8.21028303
  H     11.90960786     13.66430730    -13.09842470
  H     10.43557532     10.55955894     -7.21330366
  O     12.21812094     10.66253419     -6.46010966
  H     13.77748012     15.08454243    -12.06304571
  H      9.72654691     11.56945360     -8.11681696
  O     14.62877292     12.08021190    -12.44101868
  H     14.73887585     13.88342146    -11.95798836
  H     11.98076781     11.12910328    -14.23160678
  O     10.86034084      8.45757255    -12.86447726
  H     11.41289329      7.13350697     -8.68289353
  H     13.03834519     10.02167981    -14.41748584
  O     10.14912752     11.79898510    -11.30682268
  H     10.02344717      7.30717836     -9.30406246
  H     14.75313336      9.02142684    -13.16418922
  O      9.65460791     10.67234440     -7.76606930
  H     12.25443272     15.56046728     -9.53921263
  H     15.44994563      9.32598230    -14.50967887
  O     12.10244203     10.22439051    -14.54512195
  H     10.89776734     14.83903215     -9.59097571
  H     11.76386512      6.38035609    -10.77583474
  O     14.83128524      9.68152550    -13.87725534
  H     14.93951579      7.99471182    -10.98091982
  H     11.72273504      6.98989504    -12.18517027
  O     12.27257917      6.45703781    -11.59315558
  H     13.83427882      7.29994839    -11.80173502
  H     13.61068891     12.01395369     -8.81602694
  O     13.13852675     12.59333048     -8.19982847
  H     14.65926156     15.76449935     -8.60275911
  H     13.48453514     13.48365793     -8.34050557
          69
 Energy    -248.46802541867140     
  O     14.60598977      9.91345141    -16.39655923
  H     13.85119704      9.40663275    -16.07407643
  H     20.25147542      6.27663415    -14.48452472
  O     14.19412582      3.76572243    -15.87783127
  H     14.92563432      9.44954769    -17.18034958
  H     17.56134985      7.28240578    -16.71370342
  O     17.77018514      7.01789011    -11.71764495
  H     14.10852035      4.01533670    -14.94792175
  H     18.81217399      7.34152742    -17.64598924
  O     20.32206947      6.42975060    -17.76374808
  H     14.07703886      4.57772536    -16.38510238
  H     15.68092475      6.33437390    -15.94895039
  O     13.43553923      6.79973001    -10.36976944
  H     18.58677895      7.24857749    -12.17925252
  H     16.35541574      7.09780149    -14.77452571
  O     14.09098272      4.69344275    -13.20157264
  H     17.50498599      6.12998475    -12.00650143
  H     11.57863520      8.28837355    -15.50867874
  O     15.97342552      8.26366395    -13.40614120
  H     20.82941857      5.82768293    -18.30066672
  H     12.74935145      7.90606362    -14.57313824
  O     17.99064176      4.17709371    -14.95323137
  H     20.41645287      6.11590249    -16.84752287
  H     16.07712977      5.02915595     -9.55256686
  O     13.35227773      3.92999180    -10.58222635
  H     14.32568492      6.92821557    -10.01950336
  H     16.39551996      4.10582747    -10.73782419
  O     18.85896240      9.37403658    -15.20380513
  H     13.27827143      5.84754692    -10.34431633
  H     13.50553784      6.94612480    -16.51272015
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  H     13.82882644      5.62328031    -13.21377024
  H     14.55938144      6.95608862    -17.64732052
  O     20.36593622      5.59999566    -15.15978316
  H     13.73655899      4.32171406    -12.38360616
  H     19.57162218      8.37359113    -13.97639773
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  H     16.62695534      7.95967515    -12.76270488
  H     20.78455900      8.15426419    -13.04373511
  O     16.51990591      6.47143808    -15.49056092
  H     16.20037599      9.15533915    -13.69597915
  H     17.32771565      4.27325487    -13.27539293
  O     12.52309424      8.15755529    -15.48548503
  H     17.58134899      3.44115823    -15.43006613
  H     15.89691760      4.61454030    -12.79127296
  O     15.96511047      4.12515405     -9.87086111
  H     17.48058087      4.97032191    -15.17849427
  H     16.79677547      7.06722933    -10.20557500
  O     14.14126615      6.39190821    -16.98454501
  H     12.88540435      3.21587172    -10.15760081
  H     16.54754993      7.46814245     -8.73568250
  O     19.93905355      7.78709294    -13.29070735
  H     14.27080197      3.89940086    -10.25896557
  H     13.29024987      7.30551489    -12.08098216
  O     16.81822910      4.55285529    -12.50314252
  H     18.65994496      8.93272120    -16.03950696
  H     14.31573580      7.78147819    -13.14730404
  O     16.18141198      6.96728518     -9.46068004
  H     18.10855271      9.95253760    -15.02496449
  H     16.28691949     11.65539226    -14.36878629
  O     13.41830237      7.43158927    -13.03214569
  H     15.63321735      2.77326949    -16.17124318
  H     15.78581639     10.50655857    -15.27753732
  O     16.44631045     10.74503269    -14.60162082
  H     16.26332737      1.41071394    -16.50749012
  H     15.63720234      8.47620275    -19.47841057
  O     15.58099887      8.30487019    -18.54210074
  H     19.61851125      4.99187270    -15.06374078
  H     16.49177174      8.16735621    -18.22688265
          69
 Energy    -248.46792329151830     
  O     -0.87815347      0.13935832      1.03659986
  H     -0.86763182     -0.82431578      0.99818875
  H     -0.75605771     -2.11525326      4.43485207
  O     -1.40875599      5.24770302     -0.90837691
  H     -0.37500736      0.41904065      1.81269296
  H     -3.89108869     -0.50384043      3.33983586
  O     -2.36256670      4.17850058      1.49170784
  H     -1.55218507      5.93162285     -1.55640799
  H     -3.00634515     -1.66313072      3.85015747
  O      2.13175770     -0.76786751     -0.42058094
  H     -1.72136554      4.41239495     -1.30198768
  H     -4.28332885      4.97618527      4.00484791
  O     -3.62052108     -2.81226222      0.89909016
  H     -2.61841316      3.29893545      1.18269822
  H     -3.24829438      4.34093039      3.04867188
  O     -1.08049105     -0.83577398     -2.44560722
  H     -2.10317538      4.68874330      0.71404727
  H     -0.63042364      0.91646583      4.33132322
  O     -3.48912946     -0.70801246     -1.02047510
  H      1.69262794      0.00660023     -0.79099874
  H     -1.46270082     -0.09438070      5.14364916
  O     -2.15882780      2.75754161     -1.65944854
  H      1.68838550     -1.53182008     -0.80882423
  H     -2.35713220      1.02990208      0.82805355
  O      0.28740425      1.34260345     -1.13954183
  H     -4.27155051     -3.50835617      0.91992804
  H     -3.55478453      1.48823793      1.67474044
  O      0.47016066     -2.82790382     -1.54538804
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  H     -2.90872936      1.21291584      3.98843326
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  O     -1.52984701     -1.95870157      5.00559146
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  O     -3.70779822     -1.44316326      3.22380253
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  O     -3.68948816      4.23590760      3.90856344
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  H      0.90645889      3.85573544      0.92154944
  O     -1.39347389      0.84227391      4.92535266
  H     -1.32696679      2.26707949     -1.63830302
  H      0.28590736      4.41541351     -0.36810762
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  H     -2.71929542      2.33548441     -0.99902789
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  O     -3.73243073      1.41202099      3.51661879
  H     -0.10591491      0.88762819     -0.37673253
  H      1.29777313     -1.83266891      3.05415698
  O     -1.12643468      3.67212864      5.16933141
  H      0.63383956      2.18706155     -0.81329751
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  O      0.93786415      3.78403620     -0.04034540
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  H      0.67057195      2.05792881      2.91168902
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  H      0.67677297     -3.46949701     -2.21880201
  H     -0.65934269      3.91966590      2.23747956
  O      0.63514869      1.11222323      3.11118535
  H     -0.41157150     -2.85115412      0.06415028
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  O      0.17193199      3.80288020      2.71715236
  H     -1.77407707     -2.84881799      0.84323274
  H      3.57556425     -0.70898510      2.39327808
  O      2.63664079     -0.61566212      2.25530669
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  H      2.48821135     -0.68669538      1.29607664
          69
 Energy    -248.46782399459096     
  O     -5.14988254      3.45221972      0.05829860
  H     -6.07748019      3.66607021      0.11461303
  H      1.40322396      3.98950525      3.52916326
  O     -2.57071724     -2.64869930      2.37552409
  H     -4.66832704      4.18633398      0.47831888
  H     -4.21437690      2.95837996     -1.57516634
  O      0.44787897      2.49228847     -2.95994970
  H     -1.59606751     -2.65124389      2.37546930
  H     -2.82356657      3.24505825     -2.15926737
  O     -2.55536044      0.24669312     -1.36675304
  H     -2.84854522     -3.46068984      2.79141492
  H     -0.56414516     -2.48090819     -0.62669370
  O      0.35829578      1.64839920      5.70777684
  H      0.45693514      1.68967810     -2.41501836
  H      0.75794906     -3.13996580     -1.09151081
  O      0.05656519      6.00984344      1.58484476
  H      0.53637155      2.19723296     -3.86315371
  H     -2.09047413      3.78138802      3.77238415
  O     -1.39468131      2.89830468      0.85537609
  H     -1.59503503      0.35163239     -1.34324592
  H     -1.60641318      3.91438043      2.30402006
  O     -2.33156202      2.33271004      4.82528476
  H     -2.92286737      1.01698122     -1.82578945
  H     -1.57544935      5.78181853     -1.02070326
  O     -2.29805713     -2.41653313     -0.49502236
  H      0.75955838      1.65538532      6.57208554
  H     -1.83910299      7.30186546     -1.15931937
  O     -2.66284657      0.05008297      3.17127070
  H      0.61895306      2.47798374      5.26728459
  H     -4.27757978      1.95108035      0.69052319
  O      0.12497116      0.21238183      3.31482226
  H     -0.47103328      6.31546735      0.83718687
  H     -3.35544735      0.81830480      0.13230087
  O      0.83071293      3.89848938      4.29926711
  H     -0.58101181      5.69596440      2.23785685
  H     -3.19351452      5.20134460      2.01305001
  O     -3.58286096      2.65275089     -2.23726856
  H     -2.14542748      2.29184504      0.88619238
  H     -3.11307685      5.92631984      0.65353152
  O      0.40646316     -2.38679779     -0.62415009
  H     -0.57996344      2.39006230      0.95863303
  H      0.62903773      0.78474202     -0.39825989
  O     -1.76803433      4.41949916      3.11794513
  H     -2.59411835      1.53335866      4.34996214
  H      0.43011385     -0.59267481     -1.08144939
  O     -1.76107942      6.59731000     -0.52182174
  H     -1.52124576      2.09417077      5.29032234
  H      1.49041194      2.43954371      1.35134466
  O     -3.65079911      1.26109763      0.94196397
  H     -2.56018803     -1.55013779     -0.83558205
  H      0.83013752      1.13964235      1.95063804
  O     -3.71165097      5.44243316      1.23638044
  H     -2.56822351     -2.45584934      0.43001816
  H      0.39040151     -2.35554108      1.31967921
  O      0.28629315      0.35491961     -1.19586704
  H     -2.74542460     -0.89814436      3.01257549
  H      0.30774046     -1.53323423      2.63523344
  O      1.03560805      1.61633660      1.13263811
  H     -3.08879100      0.48581708      2.41777886
  H      2.90207752      4.56352797      1.50812948
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  H     -0.83989905      0.19067181      3.23008752
  H      1.38655814      4.85585238      1.59606902
  O      2.06400640      4.17066282      1.73822550
  H      0.30982726      0.59756990      4.18016305
  H     -1.30014003      3.73539096     -0.72684746
  O     -1.26558633      4.16508411     -1.59575317
  H     -0.04903076      4.15646925      3.99751878
  H     -0.61702621      3.68274921     -2.12665343
          69
 Energy    -248.46778581587199     
  O      3.47630355     -7.46642106      3.60562513
  H      4.00012907     -6.98888238      4.26509922
  H      2.73402054     -9.19344542      3.47918733
  O     -0.09482098     -3.86147873      3.40522913
  H      2.60580241     -7.04286054      3.53799841
  H      0.45631302     -4.69105336      0.44987015
  O      2.57201758     -2.86200482      3.67038685
  H      0.04353286     -3.74793835      2.44641145
  H      1.46337096     -3.54202515      0.69065138
  O      4.97641830     -9.28123279     -1.76636779
  H     -0.91900126     -3.43351115      3.61883389
  H      5.15227256     -5.14093958      4.92962664
  O      0.52391115     -6.58623797      0.32076893
  H      1.64996611     -3.12019203      3.76488181
  H      5.23011879     -5.96855926      6.23712993
  O      5.69827713     -9.05228336      2.60509719
  H      2.78019738     -2.99620174      2.73511359
  H      4.22036948     -3.05488772      1.06566773
  O      6.62565446     -8.22037699      0.07017394
  H      5.39545628     -9.34730674     -2.61980966
  H      3.48432049     -4.39889462      1.02769875
  O      1.50451896    -10.05987743      0.58040255
  H      5.63287043     -8.89658314     -1.15657005
  H      6.66445634     -6.56794537      4.22847789
  O      3.97701378     -6.14382839      1.14894074
  H      1.29105896     -6.93304065     -0.15367751
  H      6.93725666     -7.75176836      3.29184305
  O     -0.29802469     -8.89356598      3.39676450
  H     -0.12405102     -7.30070544      0.36291862
  H      0.90929093     -6.45357801      2.14109403
  O      4.54945007    -11.61523969      2.50277334
  H      4.94288008     -8.52994359      2.89994666
  H      0.62851001     -5.56337133      3.37447084
  O      2.32143717    -10.04150404      3.26804360
  H      5.41783373     -9.97541405      2.62433103
  H      5.55849612     -3.32216088      3.40933412
  O      0.52937918     -3.78027167      0.76374450
  H      6.85626985     -7.30061645      0.23913452
  H      4.21793470     -3.29466463      4.17082835
  O      5.14053687     -6.04744693      5.29152757
  H      6.34053625     -8.57297733      0.92444864
  H     -1.96816221     -9.16921271      0.64248403
  O      3.33961786     -3.44140365      0.99595210
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  H     -0.91292793     -8.93202798      1.75282555
  O      7.26017543     -6.87426802      3.53420872
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  H      6.42874017     -3.80428912      1.36801017
  O      1.00048053     -6.41204436      3.10377454
  H      3.82285728     -6.54057856      2.01355898
  H      6.79232743     -2.30316362      1.32828185
  O      5.13515013     -3.60638207      4.22553107
  H      3.63923143     -6.76495289      0.48992691
  H      2.98267975    -11.06010489     -0.01967273
  O     -1.06523847     -8.90228043      0.79075775
  H      0.46961778     -9.46349251      3.52788236
  H      4.32014786    -10.75282744     -0.72313713
  O      6.09990932     -2.91227294      1.57146046
  H      0.04400288     -7.99028979      3.45446819
  H      3.51693050     -8.29667749     -1.15864103
  O      3.89565965    -11.36554943     -0.11080305
  H      4.87582900    -12.48676639      2.70873587
  H      2.37408742     -8.67603163     -0.19378276
  O      2.80794801     -7.92298304     -0.62111831
  H      4.37444129    -11.59559532      1.54411557
  H      7.01756877     -5.94294747      2.00099327
  O      6.70515376     -5.56181600      1.16543599
  H      3.03912098    -10.67734289      3.15239235
  H      5.76201222     -5.77716502      1.10144167
          69
 Energy    -248.46756736199211     
  O     -0.08521130     -2.52497438      0.07653093
  H      0.53364145     -1.87454982      0.43196404
  H     -3.99460965     -3.46093226      1.27792038
  O     -1.82370315     -0.17590158      7.25478214
  H     -0.87462592     -2.05671749     -0.22485901
  H     -2.80479198     -6.94322155     -0.04554225
  O      2.31469583     -3.07516228      3.13723857
  H     -2.76502049     -0.34371898      7.12415823
  H     -2.07813376     -6.30433404      1.15831448
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  H     -1.40535192     -1.04591483      7.30207077
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  H      1.59688903     -2.76746208      3.71119854
  H      1.96639325     -5.81992621      4.14480067
  O     -4.52051009     -0.70766221      6.40671688
  H      2.37585942     -2.39250701      2.46332243
  H     -0.73317404     -3.28727364      1.61563013
  O     -0.81992343     -2.76863275      6.91344765
  H     -1.18944099      0.07956612      2.71295391
  H     -1.06172544     -4.53245821      2.50618347
  O     -2.01160646     -5.71911044      5.22581206
  H     -0.50084831      0.87646038      3.85661089
  H     -3.68690677     -3.00039891      4.01597148
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  H     -5.35509708     -0.42240983      6.76929708
  H      1.72966391     -4.80459204      2.48221040
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  H     -3.90661727     -2.45642121      6.08438690
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  H     -2.96544519     -1.08874708     -1.37011280
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  H     -3.06951711     -2.20347012     -0.30003848
          69
 Energy    -248.46756582143843     
  O      0.29689657      2.59770491      2.22382408
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  H      2.06786919      7.50376750      1.95961390
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  H     -5.46420373      3.09592265     -1.21125476
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  H     -4.22495353      3.86660625     -0.73294034
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  H      2.84385214      5.53158631      5.25686923
  O      1.75046454      6.06288593     -2.69233592
  H     -2.15516045      2.77517443      0.41314772
  H      3.36862532      6.06036392      0.00546807
  O      2.30058210      5.47664978      4.47551608
  H     -0.39563303      7.79230960      2.36413771
  H      2.21016946      5.04508384      0.11276051
  O      3.13151453      5.14305028     -0.17932774
  H     -1.80768388      7.16941204      2.44770474
  H      1.46731853      7.64619373     -1.83559708
  O      1.42493217      8.39124446     -1.21699320
  H      3.31911727      3.28574189     -0.62774166
  H      0.49535156      8.54605093     -1.01906087
          69
 Energy    -248.46752960315450     
  O     19.11408056      9.36513165     -7.07302138
  H     19.25787209      9.94323935     -6.32837256
  H     21.08205236     10.02049942     -9.69684804
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  H     16.33159652     10.11656943    -14.19858321
  O     18.69394388      7.62996124    -13.39417134
  H     17.30795153      4.99364317    -13.49248219
  H     17.17374754     10.08202153    -12.89970011
  O     22.31881594      5.95662206    -11.99062388
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  H     19.47214745      4.49724547    -12.78443262
  O     15.94501511      5.21843290    -12.51948612
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  O     21.31290884      8.44898042    -12.94755279
  H     17.95440896      8.21982174    -13.58546916
  H     13.42339805      6.71822661    -11.43582958
  O     20.64415302      5.10903434     -7.61631622
  H     23.09659364      5.47025359    -12.24764982
  H     13.44526133      5.43445816    -10.59148396
  O     21.10802866      6.85968935     -9.64968644
  H     21.56052271      5.34949020    -12.08821042
  H     14.32898907      8.17363987     -8.91452802
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  H     15.68558188      7.41195086     -9.02302244
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  H     15.59002218      4.71875340    -11.77696955
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  O     17.50392382      9.78191166     -9.34258324
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  H     21.16735457      9.89282688    -12.00760637
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  H     21.44794275      4.83924692     -7.18029507
  H     21.62221224     11.35291708    -11.78275859
  O     20.16700560      4.36989149    -12.12926461
  H     20.89758777      5.74223031     -8.31097124
  H     17.29364781      6.09541869     -8.20149625
  O     12.87732043      6.16747297    -10.86074243
  H     21.63811511      6.56820404    -10.40168558
  H     17.41863507      6.38104474     -9.72389120
  O     15.24677879      8.24983916     -9.21317646
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  H     12.56636422      7.18022867     -9.41892204
  O     14.98376052      7.78670521    -11.99397472
  H     18.59491065      7.51816599    -11.56147521
  H     11.72528476      8.09139003     -8.50549367
  O     21.00845162     10.69176228    -11.47290923
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  H     19.14130949     10.89654343    -11.72679164
  O     16.88533486      5.91221497     -9.06280528
  H     19.14533552      6.08707800     -6.97898109
  H     17.88470420     10.65616004    -10.87110617
  O     12.61374312      7.78076565     -8.65522890
  H     18.60002142      7.53259222     -6.88618182
  H     19.56772957      4.14650213     -8.91277361
  O     18.17775319     10.89222506    -11.76335860
  H     17.97652498      9.72004405     -8.50400684
  H     18.18110007      4.45346035     -9.47226110
  O     18.96596811      3.92026436     -9.63294339
  H     16.63530717      9.37116427     -9.22291709
  H     15.57529199      4.82778800     -9.62828278
  O     14.89996278      4.27636519    -10.05697452
  H     21.27407433      8.61352833     -9.10183966
  H     14.90837424      3.43492557     -9.60731923
          69
 Energy    -248.46745877757868     
  O     13.86241069     12.14814748    -15.15503778
  H     14.81248555     12.29658885    -15.12660595
  H     13.13703584      6.58760325    -16.31982255
  O     14.75700837      6.62004376    -13.62823153
  H     13.71832742     11.47928844    -15.84143978
  H     19.94552069      5.47132954    -14.39204921
  O     17.56035845      8.70041276    -11.35851098
  H     15.00237071      7.42531920    -14.11164845
  H     18.83138130      6.28499169    -15.09215698
  O     17.83836821      9.79722906    -15.94756514
  H     14.14429694      6.90468302    -12.93750043
  H     16.23277978      9.08573738    -15.30381419
  O     11.79648089      7.90902817    -16.38194728
  H     17.40583407      7.79397667    -11.65697249
  H     14.70704468      9.29190958    -15.49779595
  O     15.57937100      9.07122976     -9.45179075
  H     16.98859165      8.83398775    -10.58795663
  H     12.72941950     11.79575254    -13.88186306
  O     13.11926750      7.74399901    -11.66982034
  H     18.36755931      9.52427113    -15.17787217
  H     11.42275963     12.20972125    -13.16718539
  O     16.13059046     10.55941892    -12.80717015
  H     17.54849329     10.69933014    -15.76147134
  H     17.03455665      4.70207602     -9.44647622
  O     15.88787826      6.44339067    -18.01466997
  H     11.69396993      8.19493555    -15.45529493
  H     16.63406071      5.36985808    -10.77212316
  O     14.10601615      6.58812917     -9.29224334
  H     10.91888246      7.74772494    -16.71779964
  H     11.70328969      9.71644501    -13.64574032
  O     18.21516684      6.98995359    -16.54496360
  H     15.10423618      8.25027219     -9.27647608
  H     12.00121182      8.30961977    -13.08524014
  O     13.90162687      6.00390169    -16.23928945
  H     14.93573421      9.65476449     -9.87297185
  H     18.74835272      8.93582295    -12.85274651
  O     19.18873826      6.02604858    -14.22335811
  H     13.38682606      8.66329665    -11.52438004
  H     19.32332177      7.91945741    -13.84843547
  O     15.37233186      8.95013971    -14.88773023
  H     13.33190051      7.27286234    -10.85524454
  H     16.29368529      6.18858186    -12.83281551
  O     12.08775730     11.52710585    -13.20012992
  H     15.75163005      9.99674408    -13.50104979
  H     17.83310195      5.96097605    -12.96964295
  O     16.29357501      5.08645254     -9.90799941
  H     16.69744525      9.98495325    -12.27448406
  H     16.68079313      9.53737446    -17.69280980
  O     11.61111750      8.77490583    -13.83561340
  H     15.17345723      6.25905111    -17.37920484
  H     15.92557599      8.30632999    -18.23411442
  O     19.14704238      8.86056120    -13.72857875
  H     15.79178786      5.81628438    -18.72643134
  H     13.14724393     10.88286176    -11.78568071
  O     17.11731588      6.07902943    -12.33370757
  H     14.85976695      6.00458888     -9.48605305
  H     14.65384921     10.58068748    -11.77459973
  O     15.92012879      9.27352666    -18.21881502
  H     13.65850984      6.21752864     -8.53596409
  H     17.25798341     13.02106578    -14.64102621
  O     13.83461784     10.43435824    -11.27847671
  H     17.44072740      6.72024141    -17.05490484
  H     16.62359353     11.74443032    -14.04126285
  O     16.78200613     12.22669706    -14.87191973
  H     18.19487132      7.95266567    -16.50939101
  H     12.98024674      9.28056881    -16.85718443
  O     13.64302343      9.98154012    -16.84742823
  H     14.15802607      6.02833951    -15.30816226
  H     14.35075553      9.75779054    -17.47056182
          69
 Energy    -248.46742506080795     
  O     18.06016253      8.69404667    -10.32400940
  H     17.95102295      9.55927528    -10.73989420
  H     18.94922500     11.62249128    -10.06557123
  O     15.66835094     12.13984068    -11.93545427
  H     17.42993101      8.08201780    -10.72160639
  H     17.72061908      9.07672931     -7.30117709
  O     18.50802649      4.07788663    -13.38758048
  H     15.50767817     11.77959651    -11.04257860
  H     18.10293031      8.37682953     -8.59873793
  O     21.03176223      5.92285617    -10.83919460
  H     15.30733313     13.02153708    -11.95051632
  H     21.16068111      9.24315279    -10.49823573
  O     15.30198544     10.91175894     -9.56560968
  H     18.07990434      4.58873249    -14.08551663
  H     19.77784379      8.59543943    -10.75280108
  O     20.08746310      7.04768210    -15.07142659
  H     19.45225162      4.25851869    -13.48025984
  H     21.23579174      5.28547761    -12.49352586
  O     21.25164635      5.49929616     -8.06675295
  H     21.00341750      6.88640794    -10.93762610
  H     22.04823246      4.51254432    -13.55536906
  O     14.26982070      8.40350553    -10.45113409
  H     21.24039848      5.73402523     -9.91629764
  H     17.16652881      6.63106853    -14.86210539
  O     18.54842418      5.46032119     -8.00966168
  H     15.89488374     10.86532588     -8.80684797
  H     16.89675401      5.78264793    -16.12528004
  O     16.29541908      6.81836533    -11.36562927
  H     14.96226385     10.02210170     -9.72413431
  H     17.41174380     11.51675665    -11.95946366
  O     17.21811140     10.94606590     -7.43678079
  H     19.26770234      6.61385969    -15.33766533
  H     18.60819556     10.65759181    -12.50789689
  O     19.21244294     11.68208611     -9.13756296
  H     20.56561214      6.39116028    -14.54997701
  H     21.15803383      7.35889579     -7.60496273
  O     18.09484838      8.25444818     -7.63574965
  H     21.64117420      4.82509075     -7.51677708
  H     19.94772834      8.28935729     -7.39382065
  O     20.69208439      8.63064012    -11.07752191
  H     20.28451608      5.41337200     -7.97461734
  H     15.05489324     10.56615465    -12.77908233
  O     21.23314026      4.98921790    -13.41882140
  H     14.94337870      7.74803974    -10.69938754
  H     14.47995736      9.26372842    -12.20093958
  O     17.48005723      5.86675930    -15.37548717
  H     13.50828888      7.91195048    -10.15348728
  H     19.69525921      8.56245432    -14.16497513
  O     18.25639774     11.10873563    -11.73046959
  H     18.23882656      6.35419302     -7.81246948
  H     19.93893029      9.04205110    -12.72407287
  O     20.91313920      8.27756385     -7.44650819
  H     18.26911908      5.24652263     -8.90902444
  H     22.55429791     10.63354569     -8.78949404
  O     14.83301948      9.65521165    -13.00886004
  H     16.93450082      6.12403152    -11.15278236
  H     21.47667085      9.58253420     -8.41894600
  O     19.39267717      9.20505128    -13.50538795
  H     16.46843877      7.10929216    -12.27278628
  H     17.70305011      8.46669661    -13.67127245
  O     21.70605616     10.28771197     -9.05252099
  H     17.95064705     11.23670978     -8.01044391
  H     16.13997091      8.63674270    -13.64565437
  O     16.86142662      8.00786076    -13.79711301
  H     17.15050240     11.58875100     -6.73546753
  H     18.26448231      4.57206419    -11.67322426
  O     18.31669767      5.04887960    -10.83069946
  H     20.09196804     11.28975155     -9.08367123
  H     19.21620667      5.39891803    -10.79535697
          69
 Energy    -248.46742394445911     
  O     19.04859108     17.63040294    -14.53119376
  H     19.05211195     18.29560104    -13.83188552
  H     14.27387758     13.39881326    -12.93029802
  O     20.46400347     11.38626090    -14.33263655
  H     18.17930123     17.20495588    -14.50749661
  H     20.88350066     15.18631842    -13.37111279
  O     16.21711584     15.67287622    -11.82176191
  H     19.58460466     11.00365489    -14.22731128
  H     20.44394154     16.53741414    -14.02632145
  O     16.91839525     12.02681462    -11.84377806
  H     20.52768080     12.06717320    -13.64938316
  H     17.61219850     14.72681927    -11.07954694
  O     14.12634709     13.22635491    -14.66098800
  H     16.36250230     15.87399376    -12.75731858
  H     18.79988013     14.81153125    -10.09507587
  O     20.35275706     12.98444655    -16.58145669
  H     15.52637676     15.00001408    -11.79005000
  H     16.81756364     11.41019949    -15.26863115
  O     21.99457906     15.26711956    -16.30439331
  H     17.47838480     12.62476415    -11.33356169
  H     16.91491535     12.13933809    -16.65519815
  O     17.54662677     17.80443907    -10.55910748
  H     16.04348710     12.43313824    -11.85074324
  H     20.40854478     16.15405628    -16.98961077
  O     20.06817916     13.70773726    -12.76197951
  H     14.81246713     12.63855272    -15.00845544
  H     19.38225277     17.07079999    -16.30104314
  O     15.41301886     14.87353125    -16.65833950
  H     14.12734455     13.97991433    -15.25975043
  H     20.53263635     18.18716403    -11.63600006
  O     17.95938665     12.66620028    -17.98086029
  H     20.52304846     12.35093989    -15.86684831
  H     21.33275751     16.96633938    -12.12194433
  O     14.45164767     13.47778691    -11.97675848
  H     21.03063217     13.66906118    -16.54731452
  H     18.45786535     18.80200575    -11.65748269
  O     21.21237832     16.00161240    -13.77920574
  H     22.90571520     15.47394676    -16.49566585
  H     18.94290673     20.20358444    -12.10156458
  O     18.31844292     14.20484027    -10.67105699
  H     21.83414338     15.53289024    -15.38294717
  H     20.24751153     16.66376531    -10.02178422
  O     16.40678531     12.08316594    -15.82885987
  H     16.96128775     17.13760136    -10.94243695
  H     20.11174615     16.38042822     -8.50730960
  O     19.54723669     16.56911727    -17.10982940
  H     18.17512639     17.32228278    -10.00788538
  H     17.59867939      9.58109856    -13.70120253
  O     21.09835631     17.46665385    -11.33089977
  H     19.40848386     13.72883971    -13.47366525
  H     17.45449915     11.02080801    -13.15301100
  O     19.06676145     19.27118264    -12.25648032
  H     19.57187154     13.84312315    -11.94535406
  H     19.01858680     13.74713000    -15.54489639
  O     19.66459497     16.27887758     -9.34315912
  H     16.01818928     15.18035660    -17.34800467
  H     17.62767859     13.28745935    -15.06738505
  O     17.71244986     10.49917721    -13.93484657
  H     15.69259572     13.96838089    -16.47986998
  H     17.45462978     15.87839622    -19.34051418
  O     18.33547905     13.91579951    -14.88198329
  H     17.78940868     13.56850337    -18.27691818
  H     18.21380383     15.86606469    -17.99556430
  O     17.47201440     15.46456158    -18.48129911
  H     18.86693687     12.67155708    -17.64379516
  H     16.13341831     15.90421316    -15.21236332
  O     16.76486895     16.08190981    -14.50651844
  H     13.63756286     13.26852050    -11.52616934
  H     17.41105386     15.35948531    -14.58111433
          69
 Energy    -248.46719942355446     
  O     13.49611541      4.13447715    -13.05817880
  H     13.12570068      3.79733150    -13.88908273
  H     16.29368277      4.61369772    -16.01831172
  O     21.03973435      6.13556227    -16.99089002
  H     12.84538581      3.96470197    -12.38057674
  H     17.93051196      3.86174020    -17.80517670
  O     14.34055943      6.63396666    -14.14173089
  H     20.82016654      7.05672288    -17.18092832
  H     18.80539216      4.16307894    -19.04662549
  O     14.08858895      4.72508986    -20.11174571
  H     20.56820179      5.91849920    -16.17665368
  H     14.91041736      3.12669575    -19.29428588
  O     18.18707693      5.55060575    -12.25532136
  H     14.03121407      5.92011547    -13.57532810
  H     16.36363334      2.88451087    -18.87741220
  O     19.06022145      7.30589750    -19.88528472
  H     15.10024258      7.06852506    -13.72360905
  H     19.02636694      5.70715530    -13.89589646
  O     15.80212425      7.57070566    -17.42622901
  H     13.77639180      4.78279549    -21.01104356
  H     18.78661719      6.57136528    -15.16413642
  O     17.90400871      3.72257996    -16.04339622
  H     14.88769439      5.27601100    -20.06049758
  H     17.21289666      8.00786333    -16.36773348
  O     12.45496770      3.19641860    -15.48322953
  H     17.50552955      4.86777338    -12.39091874
  H     18.69713490      8.42109448    -16.37525704
  O     16.29878604      3.67010159    -12.72623951
  H     18.52404277      5.43368529    -11.37134066
  H     12.93631053      6.84528593    -16.92055063
  O     19.96821137      8.68861468    -17.71944283
  H     19.57850027      6.49141629    -19.85598212
  H     13.47461641      7.45761214    -15.62476431
  O     15.52167335      5.16492256    -16.18164163
  H     18.14209192      7.02986530    -19.98769323
  H     14.00695821      4.95758762    -17.06277627
  O     17.90199605      3.97268213    -18.76775462
  H     14.90749615      7.88412420    -17.23696927
  H     13.28090873      4.85778725    -18.42146836
  O     15.47285127      2.51690148    -18.80517709
  H     15.82772347      6.68213645    -17.03474974
  H     17.21409087      0.68813590    -14.41666524
  O     19.25015732      5.78796657    -14.83125908
  H     17.73171740      2.95965824    -15.47995911
  H     16.16004781      1.56824753    -15.13480645
  O     17.99410645      8.09039121    -15.80242234
  H     18.44044803      4.36679356    -15.56075135
  H     16.21033778      6.74459341    -18.97971693
  O     13.18471916      7.68660778    -16.51955095
  H     12.59139224      3.82356811    -16.21480872
  H     16.93027915      5.40150015    -19.34543988
  O     13.12580965      4.92068863    -17.47217468
  H     11.64591911      2.72784876    -15.67441546
  H     17.22408063      7.08978844    -12.84816700
  O     16.92093473      1.58836407    -14.52377259
  H     15.34670578      3.79912891    -12.80208437
  H     17.15400438      8.03224974    -14.07142696
  O     16.42673310      6.14619452    -19.71037450
  H     16.51227303      2.90208368    -13.27126728
  H     20.74268640      5.26468449    -18.47642897
  O     16.67399400      7.75407535    -13.28070684
  H     19.60212438      8.26985755    -18.51906650
  H     21.29049741      4.51887311    -19.71713625
  O     20.49643757      4.88788335    -19.34059710
  H     20.37831665      9.50259749    -17.99915923
  H     15.05192874      1.93283477    -17.14481911
  O     14.85490033      1.68525913    -16.22835498
  H     15.24330396      5.60212963    -15.36442048
  H     14.04364797      2.14100117    -15.98714837
          69
 Energy    -248.46676276364227     
  O     15.40077814     12.15843841    -10.20296553
  H     15.87731210     12.95082373     -9.97116274
  H     12.87098642      7.50199090    -14.48808820
  O     12.22439977      6.63929421    -11.49701241
  H     16.04264680     11.42534998    -10.16681468
  H     15.43657488      4.65451794    -15.13273001
  O     17.32410964      9.70757538    -15.26038198
  H     12.64488736      7.19038087    -10.82222300
  H     14.71561157      5.87522973    -14.47093553
  O     17.54849193      8.86169065    -12.61315784
  H     12.82525679      5.89710865    -11.63115513
  H     16.87947907      5.78809715    -13.75501955
  O     15.83241680     11.98823902    -15.02603097
  H     16.99987747     10.61363915    -15.15688855
  H     18.20665975      6.46989248    -14.16846521
  O     13.77129686      8.28183126     -9.86789571
  H     16.61839349      9.25326794    -15.74297535
  H     14.44477676      8.55589545    -11.55120144
  O     15.17998053      8.60622153    -16.66730052
  H     17.51004348      9.27094177    -13.48862997
  H     15.74986526      8.76354749    -12.39244168
  O     13.71674210     11.00466129    -16.74897757
  H     17.66574977      7.91452145    -12.76674773
  H     13.91860343     11.38234541     -9.43598205
  O     15.87698488      4.14336106    -16.76065341
  H     15.17841226     11.79851952    -15.70970050
  H     12.38927337     11.39619194     -9.29555634
  O     11.27006560      8.01707147    -13.64507902
  H     15.34705846     11.92075443    -14.19273590
  H     14.55364271      4.65826281    -12.73987102
  O     16.57069674      5.78382183    -10.80757680
  H     13.49984471      9.15502742     -9.55076379
  H     14.01174375      3.63369157    -11.71710606
  O     13.82465178      7.41125087    -14.59151187
  H     14.58132701      8.04166237     -9.40169166
  H     12.80784482     11.01316693    -13.80452016
  O     15.25493178      5.09152626    -14.28847330
  H     14.66688758      8.14068434    -15.99040043
  H     11.89193217      9.80757350    -14.14283312
  O     17.68932623      6.18658404    -13.40491893
  H     14.69814940      9.42148006    -16.85433790
  H     16.46988785      6.95594284     -9.54288640
  O     14.78482238      8.76256537    -12.43117504
  H     13.13459677     10.86241309    -15.98102774
  H     16.62253696      7.27582633     -8.03630563
  O     13.16290518     10.86507312     -9.11917283
  H     13.20823912     11.49283136    -17.39086434
  H     16.88799495      9.28927898     -9.60889346
  O     14.19709058      4.56180838    -11.83965052
  H     16.26397144      4.97022016    -17.09751082
  H     17.41711898      9.72677979    -10.98597874
  O     12.23778329     10.63756451    -14.48949016
  H     15.84837666      3.54347676    -17.50013037
  H     17.69613457      6.80144648    -16.94839088
  O     16.31942280      7.63887503     -8.86406018
  H     11.56684018      7.54417651    -12.84658254
  H     16.28670348      7.27181266    -17.35507729
  O     17.10587378     10.06727003    -10.13628359
  H     10.36149094      7.76461974    -13.78638133
  H     18.48870453      8.34988345    -15.52582570
  O     16.92764439      6.55782376    -17.47681058
  H     15.74390308      5.35492326    -11.06118589
  H     19.85345360      7.68660945    -15.81125227
  O     18.93657484      7.49360555    -15.63030075
  H     17.09979902      5.83975055    -11.61195339
  H     14.60346430     11.83758699    -11.89549388
  O     14.27439645     11.45885979    -12.71762868
  H     14.20635198      7.88578950    -13.83513998
  H     14.44054038     10.50577566    -12.65176767
          69
 Energy    -248.46662214458865     
  O     -3.60576802     -3.40036154      2.26383111
  H     -3.02160958     -3.37204174      1.49111175
  H     -1.30777983      3.71057383     -1.24229584
  O     -1.12642762      0.82653886      5.08450784
  H     -3.14077574     -2.90153997      2.94662045
  H     -1.65899495      0.85396319     -4.86873759
  O      0.00878637     -2.49715716      2.29740138
  H     -1.88174586      1.39160721      4.83886940
  H     -2.15965323      0.07354688     -3.62578204
  O     -2.02175914      3.20859090      1.65980111
  H     -0.84513600      1.09989828      5.95276927
  H     -6.56095970     -2.41180189      1.60592896
  O     -4.70031525     -0.99940116     -1.09184125
  H     -0.63933781     -2.07766906      2.87519912
  H     -5.02621924     -2.57866973      1.72432173
  O     -2.74788881     -1.37791085     -3.02730932
  H     -0.51635316     -2.84481472      1.56316792
  H     -1.68871271     -1.97014172      0.17797259
  O      1.29793718     -2.12187323     -1.68982019
  H     -2.62236010      2.64526951      1.15650019
  H     -1.56064992     -3.26915089     -0.65449073
  O     -2.21551476     -1.34655657      3.67708828
  H     -1.49631655      3.66939855      0.98870032
  H      1.48401804     -2.03395828      1.50966589
  O      0.32935698      0.46023743     -2.07436191
  H     -5.09580582     -1.42908562     -0.32466504
  H      2.99463116     -2.31017908      1.34770238
  O      2.15518134      1.03237579      0.97184591
  H     -4.42672212     -0.12875694     -0.78188053
  H     -3.32460568      1.93912715     -0.80397812
  O     -0.19284047      1.22454251      2.41710372
  H     -2.18803011     -2.13931149     -2.83993702
  H     -2.66235813      0.78574701      0.00792891
  O     -0.68660701      4.04265578     -0.58389565
  H     -3.46058003     -1.36839529     -2.37205176
  H     -3.73369066      1.58079091      3.62530918
  O     -1.76492748      0.91649103     -3.92366230
  H      1.06639820     -1.21001375     -1.91506939
  H     -2.83365053      2.79994718      3.35717435
  O     -5.73211891     -1.98223305      1.41434499
  H      1.67354755     -2.08501915     -0.80215881
  H     -0.79566908      0.13986133      0.98807354
  O     -1.79698403     -2.93207612      0.21628218
  H     -1.84096602     -0.74297309      4.32959932
  H     -0.63558420      0.01410233     -0.56349917
  O      2.27108112     -1.80708996      0.98249583
  H     -2.86558488     -0.82442387      3.18708413
  H     -0.71306026     -4.29120967     -2.85632606
  O     -3.43913858      1.37118655     -0.03228540
  H      0.83499834      1.25628157     -1.86471791
  H     -0.08519347     -3.05347271     -2.16864760
  O     -3.19747517      2.25376358      4.06640747
  H     -0.29999894      0.67188953     -2.77297687
  H     -2.43369347      2.23718344     -2.91049199
  O     -1.22296007     -0.17438749      0.18034512
  H      2.29558898      0.07874318      0.93593624
  H     -3.33175483      3.48973916     -2.78534965
  O     -0.92867204     -3.49100407     -2.38572189
  H      1.41383392      1.16465536      1.57992572
  H      2.56114717      3.09389460     -1.37696683
  O     -2.76281257      2.90563411     -2.28854293
  H     -0.75972498      1.97446138      2.18873259
  H      1.96295052      2.10280225     -0.34813183
  O      1.75369126      2.65398466     -1.12584926
  H     -0.37478654      1.01409517      3.33946818
  H     -4.88932243     -0.49101042      2.17121218
  O     -4.26736987      0.21012419      2.40490310
  H      0.16220297      3.62421045     -0.77362649
  H     -4.06261395      0.66174520      1.57634155
          69
 Energy    -248.46655234132334     
  O     12.07994882      8.71055599    -14.50574881
  H     12.36752028      8.53803685    -13.59027654
  H     14.81239706      9.47253125    -17.31043578
  O     17.77026547      6.24503927    -13.39180341
  H     11.14766972      8.90548782    -14.46721444
  H     15.24485073      7.49906862    -14.93407493
  O     18.56885406     10.85823587    -13.17314838
  H     17.66632943      5.38710294    -13.81689691
  H     15.92840484      8.78925090    -14.36061675
  O     14.54318055      4.65233637    -13.62647093
  H     17.13300532      6.83490227    -13.83057854
  H     13.65258928      8.75258935    -11.67750197
  O     16.36298577     11.38857883     -9.47598053
  H     18.69960291     11.14099442    -12.26156392
  H     13.26753085      7.27131447    -11.74338320
  O     16.63810173      7.10918877    -10.99472890
  H     18.88765129      9.94453060    -13.22469222
  H     18.26791410      8.00304638    -10.56151673
  O     15.83761836     10.47908795    -13.69171467
  H     14.16243080      5.27653530    -14.26093288
  H     19.44901576      8.34260493    -11.49514763
  O     16.65880332      5.39818802    -17.22880568
  H     15.36128120      4.33599622    -14.02511141
  H     14.33447303      5.27066820    -12.03227879
  O     17.67204026      8.00674561    -16.94831768
  H     16.31012058     11.82432636     -8.62902534
  H     13.78381544      5.03976856    -10.60524081
  O     17.02178661      4.00883861    -14.92319870
  H     17.29647740     11.40910927     -9.73425584
  H     19.05770513     11.41833417    -14.82623090
  O     20.23872218      8.93955867    -16.09519503
  H     17.06317909      6.74525626    -11.78481998
  H     18.60501372     11.94466390    -16.20038216
  O     15.20106541      8.93458814    -18.01647181
  H     15.82111403      6.60441294    -10.89114202
  H     19.05225779      7.49184335    -13.43707156
  O     16.08979414      7.89552307    -14.68693323
  H     15.52068657     10.22920079    -12.81149098
  H     19.96699822      8.40211338    -14.29738129
  O     12.98210734      8.14803974    -12.02448989
  H     16.76667172     10.71350099    -13.57712393
  H     19.06084682     10.21498070    -10.37127236
  O     19.08960203      8.50808871    -10.61378684
  H     15.79338450      5.60301477    -17.60086679
  H     19.84234499     11.50676384    -10.02554376
  O     14.20328167      5.69002095    -11.16213905
  H     17.14106739      6.23626957    -17.23096720
  H     13.65583258      6.32247320    -18.94535176
  O     19.31610135     11.48415021    -15.75955629
  H     17.15304009      8.00611972    -16.12830375
  H     14.48736532      7.37817641    -18.17477645
  O     19.62664005      8.27172491    -13.40434584
  H     18.56474327      8.28171989    -16.71747762
  H     15.53482239     10.18740990    -10.52323997
  O     19.01190550     11.18952162    -10.37039846
  H     16.89238044      4.47270967    -15.77015130
  H     15.76912873      8.75018733    -11.09202837
  O     14.14394475      6.46541002    -18.13988536
  H     17.36716819      3.14605227    -15.13506913
  H     14.65255100     10.55825931    -15.14877452
  O     15.22457492      9.54497332    -11.17534723
  H     21.04527482      8.90695349    -16.60334169
  H     13.32328922      9.85565063    -15.45382405
  O     14.05878320     10.31840557    -15.87224129
  H     19.97128978      9.87435793    -16.05108977
  H     13.03411148      7.29560665    -15.17830441
  O     13.68920014      6.61909962    -15.39339498
  H     16.12011020      8.76756664    -17.77333626
  H     13.73295784      6.53173269    -16.35428496
          69
 Energy    -248.46617035999600     
  O     16.79750076      3.80766911    -15.53514623
  H     16.15726313      4.52931092    -15.48133914
  H     19.46155084      6.05114193    -14.38465159
  O     18.31140805      9.57462328    -10.76583831
  H     16.59011101      3.21287258    -14.80401795
  H     15.62843030      9.21972221    -15.47649037
  O     12.88761742     10.49530860    -11.26028732
  H     19.03715873      9.48477286    -11.40009163
  H     14.10087992      9.06554920    -15.44687645
  O     16.92072613      8.03552918    -14.67126311
  H     18.33699798      8.81361788    -10.17417365
  H     12.03660120      7.65204049    -15.53751960
  O     19.43877659      4.39699925    -15.24052504
  H     13.42025647     10.85302698    -11.98791882
  H     12.49894359      7.78894597    -14.07192608
  O     12.01137476      7.91252753    -12.31122049
  H     12.46922024      9.70365550    -11.61024527
  H     16.79664810      9.25120567    -11.72315374
  O     17.98751459      7.25441614     -9.18337096
  H     17.80173706      7.67295070    -14.52234480
  H     15.56252322      9.80524059    -12.51732572
  O     14.34877916      7.09829216    -11.22140895
  H     16.62435584      8.38340353    -13.81566993
  H     17.39624566      2.58872579    -12.86035856
  O     16.45529635     13.12664002    -12.58837659
  H     19.93852963      4.07250805    -15.98471154
  H     16.35765559      1.44053299    -12.83081020
  O     15.42780540      8.01591512     -8.80335398
  H     18.50202460      4.20525907    -15.42616158
  H     14.01025896     11.17600532     -8.39641909
  O     15.11557981      5.99206478    -14.91765624
  H     11.26482434      7.53050689    -11.85603168
  H     13.88369760     10.61156303     -9.82789122
  O     19.29450171      6.82277297    -13.83057637
  H     12.81128690      7.58103317    -11.86460237
  H     18.06426426      6.23193552    -10.73280063
  O     14.80379873      9.71317603    -15.57596421
  H     18.40419661      7.04320025     -8.35219092
  H     17.17266797      5.53432861    -11.80823861
  O     12.81235918      7.66174821    -14.98068417
  H     17.06993954      7.51432982     -8.98236710
  H     15.25528764     11.93484101    -13.14961536
  O     16.02526614      8.99997487    -12.24747636
  H     14.68503489      6.24435012    -11.52373564
  H     14.69120425     10.84554471    -14.14812113
  O     16.47134752      2.35786731    -13.06247473
  H     14.94291126      7.78259924    -11.57300099
  H     17.45238376     11.14247965    -10.30790907
  O     14.47861850     10.67533543     -9.05999503
  H     16.62925116     12.75353718    -11.70649663
  H     16.05270548     11.50461735     -9.76890797
  O     18.08268796      5.76472172    -11.57628474
  H     16.67729682     14.05163601    -12.53250927
  H     15.35832777      5.28146737    -13.27728888
  O     14.63796381     11.19565241    -13.24846552
  H     15.14890049      8.94036603     -8.79977156
  H     15.72165089      3.98023413    -12.51619449
  O     16.83815398     11.87910567    -10.18460063
  H     14.93923753      7.60165239     -9.52703824
  H     19.30538591      3.59141946    -13.48114116
  O     15.52601878      4.91689128    -12.39492143
  H     14.26699735      6.43871964    -15.00965257
  H     18.81219084      4.10821133    -12.11748937
  O     18.98135865      3.29936803    -12.61999040
  H     15.78855313      6.69077588    -14.90271197
  H     20.53779842      9.78785440    -13.38376315
  O     20.22982825      9.18611100    -12.70963805
  H     18.89255395      6.49215172    -13.01205381
  H     20.01209443      8.35970465    -13.16777124
          69
 Energy    -248.46603564367945     
  O     -5.35738219      4.19410398      1.87029022
  H     -6.22086568      4.24102995      2.27046844
  H      1.64921056      2.73128820      4.32190473
  O     -4.74761625     -1.88220672      1.29144220
  H     -4.74312131      4.66859039      2.46052523
  H     -3.83125433      4.27978598     -3.27893568
  O     -0.48455250      4.35969101     -2.19786243
  H     -5.01448449     -2.79092871      1.18143134
  H     -3.61545639      4.51234391     -1.76632418
  O     -2.79167438      1.47764644     -1.37651086
  H     -4.04914867     -1.72746698      0.63322446
  H     -1.35854305      3.52195633      3.29584848
  O      0.23830568     -0.26188266      4.49538878
  H     -0.19332161      3.44065725     -2.21674657
  H     -1.80062104      2.91072818      4.64742613
  O      2.04696444      4.91637135      1.94512609
  H     -1.43100982      4.32648283     -2.38729609
  H     -1.48009417      6.47802705      0.87532473
  O     -1.16573599      3.10598205      1.59191308
  H     -3.03899598      2.25831339     -1.88924665
  H     -2.04330656      7.89987757      1.10390215
  O     -2.17276609      1.21134893      5.06111885
  H     -3.14737761      1.63683950     -0.48893303
  H     -4.33920693      2.74579435      1.39919350
  O     -2.58721008     -1.23384565     -0.31943343
  H      0.66974655     -0.85226873      5.10757394
  H     -3.71123215      1.36152677      1.78623877
  O     -3.45196046     -0.03704180      2.87399603
  H      0.84978620      0.48100196      4.34583541
  H     -3.02653412      6.07684963      2.67774256
  O     -0.86952107     -0.60368429      1.92357057
  H      1.70306266      4.90918934      2.84732971
  H     -2.83399887      4.96330219      3.74272222
  O      1.89612209      1.84121485      4.04329774
  H      1.32225210      5.19347862      1.36907647
  H     -1.07604997      1.44931419     -1.81307441
  O     -3.30995393      3.99468785     -2.53314075
  H     -2.05352092      2.77623457      1.39689725
  H      0.00076669      0.87864146     -2.76427977
  O     -1.51949579      3.73704340      4.22799214
  H     -0.52776664      2.43961010      1.30706420
  H      0.10468844      4.30404867      4.54840985
  O     -2.26246644      6.97416262      1.17134773
  H     -1.35842509      0.69779980      4.99436391
  H      1.17193553      5.03586317      5.39487528
  O     -3.68353187      2.08559766      1.14491159
  H     -2.78239709      0.79977100      4.43406230
  H     -4.65452640      5.01846182      0.30733742
  O     -3.49689007      5.51384473      3.30509182
  H     -1.93010598     -1.10579719      0.37747667
  H     -3.51201810      6.02296850      0.08165306
  O     -0.13332461      1.49718843     -2.05022553
  H     -2.67117894     -0.39165905     -0.78091407
  H      0.52680249      1.34336259     -0.35734547
  O      1.05089024      4.52462084      4.59901103
  H     -2.55531736     -0.23394183      2.56367153
  H      1.53291040      1.61988036      0.81503058
  O     -4.10998163      5.42240070     -0.37899715
  H     -4.02584167     -0.70772346      2.47733683
  H      3.93785022      2.48182732      1.21600248
  O      0.66250936      1.26375787      0.59585426
  H     -0.48650486     -0.64260913      2.80970524
  H      2.72638839      3.37174795      1.59025031
  O      3.02009494      2.44968255      1.47042184
  H     -0.29641626     -0.00211951      1.42705571
  H     -0.23326732      5.12626384     -0.58289004
  O     -0.23703240      5.35275313      0.35782656
  H      2.36706541      1.94992587      3.20920525
  H     -0.59389092      4.57533988      0.81662172
          69
 Energy    -248.46600192161787     
  O     17.44898840     10.12169363    -17.74351555
  H     16.56941930     10.52385234    -17.73506659
  H     20.69636883     10.49028095    -16.53575129
  O     15.62914451      6.07138949    -13.59462458
  H     17.52463835      9.58589897    -16.93924100
  H     18.48107191      8.61286011    -15.00491385
  O     17.18655371     13.87575186    -12.09889342
  H     15.25882624      6.92878307    -13.83139487
  H     17.55825823      7.56709867    -15.70464277
  O     20.04493935      8.86828370    -14.07015784
  H     16.17092623      6.23250061    -12.81175510
  H     14.86862050     11.47501332    -16.52756208
  O     15.80047786      6.91636445    -18.06854240
  H     17.45929391     13.65066320    -12.99801781
  H     14.41836295     10.21820853    -17.30407268
  O     15.16381870      8.82084098    -14.49277254
  H     16.42351955     13.31377555    -11.91590376
  H     15.82467268      9.19610313    -12.79853793
  O     17.88748056     12.49770485    -14.51797186
  H     19.73073017      9.59481955    -13.51193427
  H     16.66167781      8.55256356    -11.67208531
  O     19.47518394      6.37700161    -13.08246857
  H     20.59259955      9.22538446    -14.77906308
  H     13.01512425      8.06815282    -17.17836021
  O     19.79788998      5.13904835    -15.65062038
  H     16.19255646      6.37466989    -17.36759230
  H     14.53806856      7.88019957    -17.37536779
  O     17.09073479      5.77783619    -15.91698436
  H     16.54430910      7.22944233    -18.59423209
  H     18.49025733     13.19822532    -11.06988528
  O     17.36866607      6.85101242    -11.46619088
  H     14.58780742      8.65617933    -15.25176192
  H     19.79366340     13.24271469    -10.25158182
  O     21.30444616      9.73973569    -16.40522305
  H     16.07779251      8.73672015    -14.81645911
  H     18.98519169     11.31374630    -11.81516207
  O     17.65175029      8.50428883    -15.48564639
  H     18.22790781     11.87243128    -13.86147069
  H     17.93276663     10.25991872    -12.28954608
  O     14.88858570     11.05646626    -17.39717089
  H     16.97320023     12.23885027    -14.69158929
  H     15.51453819     11.04464103    -11.68554673
  O     16.29806950      9.39423597    -11.97885797
  H     19.60306049      5.82071488    -13.85818454
  H     14.39151305     11.93626582    -11.11630876
  O     13.86414525      8.40989432    -16.91120055
  H     19.79331117      7.25281949    -13.34889550
  H     20.61518007      8.06753475    -17.07610598
  O     19.16471964     12.64265101    -10.64297119
  H     20.33666144      4.40133258    -15.92328451
  H     19.57089597      7.43275442    -18.02414284
  O     18.75275348     10.70671276    -12.53303655
  H     20.00758190      5.87598532    -16.25299871
  H     14.99287478     11.92087277    -13.70212153
  O     15.09259893     11.91477602    -11.76383540
  H     16.60785855      5.71216167    -15.08006172
  H     15.12666594     10.68854718    -14.60713434
  O     20.22092683      7.22810856    -17.34110525
  H     17.96623605      5.38998521    -15.80220910
  H     18.79691226     11.26503085    -17.21765848
  O     15.16846885     11.65432004    -14.61224224
  H     17.50552750      6.38803484    -10.64380673
  H     19.02724241     12.11889276    -15.96375276
  O     19.48886252     11.70276719    -16.70290492
  H     18.14526734      6.66233020    -12.02445296
  H     18.35729709      8.20677985    -20.17139443
  O     18.20705484      8.00355852    -19.25145799
  H     22.18077106     10.05886505    -16.60259136
  H     17.95165589      8.83759835    -18.81867226
          69
 Energy    -248.46554318486324     
  O     13.50835019      7.02403368    -14.23084389
  H     13.66335520      6.39049466    -14.94156864
  H     17.11083916      5.87953677    -14.94732680
  O     17.56459570     11.67848507    -11.79092334
  H     14.27773973      7.61305017    -14.18957547
  H     15.50973417     11.18848952    -16.26745118
  O     17.18532013      7.89781792    -17.60943908
  H     16.64311157     11.37043455    -11.85541409
  H     14.94440564     12.43477665    -16.98624329
  O     11.82321092      9.24915323    -14.21408888
  H     17.53402729     12.56875826    -11.45105367
  H     15.48754692      9.33353602    -13.20673560
  O     16.06218856      7.75265133     -9.65630880
  H     17.61456111      7.81617485    -18.45681757
  H     16.04360318      9.13908971    -14.64177168
  O     13.41802502      6.16631925    -11.63935787
  H     16.22490991      7.82112942    -17.77020026
  H     18.82107363      7.43078475    -12.94543900
  O     15.06022571     10.67420749    -12.03108403
  H     12.33820014      8.42959924    -14.23893887
  H     20.36134212      7.49858914    -12.82917358
  O     14.53490235      7.59983756    -17.87251739
  H     11.37898535      9.25628852    -13.35822373
  H     11.66252514      6.22603627    -11.23610429
  O     16.05390978      5.42016938    -10.96022531
  H     16.81793060      8.31014632     -9.89879720
  H     10.23750024      5.64463285    -11.26070218
  O     16.87049475     10.10992811    -15.94820673
  H     15.26647323      8.28276058     -9.76013981
  H     19.14629022      9.64922247    -13.67071471
  O     14.22865766      5.24970218    -16.25980678
  H     13.43673798      6.39663344    -12.58146441
  H     18.42959093     10.96404150    -13.31437462
  O     16.87888345      5.64362612    -15.85489666
  H     14.27229352      5.77965729    -11.41694814
  H     16.72674768      7.31952784    -13.40834093
  O     14.70607828     11.71850412    -16.40348435
  H     14.54341002     10.08691440    -11.46471216
  H     16.90581390      6.08611963    -12.47459784
  O     15.67435744      8.67026857    -13.88284172
  H     14.44966872     11.10165860    -12.65347524
  H     18.77530025      8.79722379    -11.18765819
  O     19.56839542      8.02424627    -12.76179848
  H     14.28362736      6.77880780    -17.43569267
  H     18.06917748     10.11531940    -10.84307884
  O     10.72559600      6.45030672    -11.11242948
  H     13.90577528      8.27489999    -17.57778479
  H     12.36003125      9.49874135    -16.07898839
  O     18.78773251     10.45820620    -14.05531332
  H     16.34255295      4.70830676    -10.39595812
  H     13.42415529     10.35662317    -16.78973073
  O     17.29659686      6.55677274    -13.22065437
  H     16.09697990      6.23870709    -10.42891732
  H     12.63224409      9.10677340    -10.81881903
  O     18.22924026      9.22189146    -10.51595213
  H     17.62254907     10.27589551    -15.35789858
  H     13.57329023      7.90737617    -10.95719094
  O     12.86848505      9.57428313    -16.89433550
  H     17.09536822      9.39043383    -16.55187072
  H     13.79899609     11.76095946    -14.75363839
  O     13.53859765      8.82364012    -10.64910808
  H     14.03721522      4.35958950    -16.54105554
  H     12.78808366     10.83686064    -14.03913101
  O     13.36327435     11.60301782    -13.90704137
  H     15.19102043      5.30091561    -16.11340601
  H     10.09606760      9.61391350    -11.13679725
  O     10.83160014      9.14772408    -11.52611095
  H     17.12478510      6.39386927    -16.41029333
  H     10.68324654      8.19964941    -11.36435826
          69
 Energy    -248.46548641506442     
  O     16.76574930      9.16957356    -15.71604841
  H     16.83629469     10.10661869    -15.93561928
  H     14.17327286     11.63096409    -14.48005060
  O     14.25016128      8.79681052     -9.26744806
  H     15.86700243      8.87493894    -15.92269396
  H     15.32833937      4.13556689    -14.29185140
  O     17.04456914     11.96376227    -15.93540059
  H     14.03350759      8.55993138     -8.37020112
  H     16.17415307      2.93550744    -13.80413648
  O     13.09677574     10.65023710    -11.11317161
  H     15.02036129      9.39286632     -9.22589654
  H     14.73147410      7.84474569    -10.80564678
  O     14.20725187      8.22737825    -16.08405270
  H     17.23336960     12.54757023    -16.66497677
  H     15.35630805      8.35119198    -12.13316100
  O     18.62474360      7.46544514    -14.64155674
  H     17.81687980     11.98920438    -15.34168111
  H     17.92485897      6.00523785    -15.78288330
  O     20.15238872      9.35258607    -13.38620782
  H     13.39453972     10.02289201    -10.44224808
  H     17.08572074      4.75145406    -15.47460961
  O     17.22806946      6.15424192    -12.69659825
  H     13.75406498     11.35353862    -11.13633703
  H     18.30559205     11.80622001    -11.39510840
  O     11.58421462      9.48724412    -13.05279573
  H     13.87324829      7.87604442    -15.24555777
  H     18.77008232     13.18396279    -10.86963776
  O     15.37331317     12.49401121    -11.37259870
  H     14.38755050      7.46498763    -16.64881825
  H     14.94440763      5.51787256    -18.25677658
  O     12.94409378     10.64020630    -15.27533133
  H     18.15045949      7.02112617    -13.91820795
  H     15.84413129      5.71196798    -17.01345677
  O     14.93151052     12.03869935    -14.03421464
  H     17.99638838      8.03818644    -15.10725986
  H     16.40629549      9.37553328    -13.93035084
  O     16.22424240      3.86075377    -14.02717808
  H     21.07299091      9.10352712    -13.39536683
  H     15.62409654     10.48563036    -13.21484118
  O     15.01133981      7.56310995    -11.68367993
  H     19.67205513      8.64833084    -13.85477392
  H     18.83782638     12.33736697    -13.32497344
  O     17.34948105      5.34731855    -16.18839886
  H     16.89961001      5.31628150    -13.04589744
  H     19.48966807     11.07975047    -13.94597636
  O     18.23769688     12.76536881    -11.54246382
  H     16.48282087      6.56439671    -12.24037419
  H     17.49888509      9.87940287    -11.94581906
  O     14.94982831      5.86360143    -17.36849472
  H     10.66756907      9.62224905    -12.82696608
  H     19.02619179      9.69061156    -11.88773830
  O     16.11426238      9.66967644    -13.05830605
  H     12.10972809      9.92695131    -12.36098569
  H     13.78832050      7.23943756    -12.96584531
  O     19.07952915     11.92584777    -14.16353510
  H     15.11716417     12.48000991    -12.30826756
  H     12.49703412      7.90361280    -13.49096798
  O     18.27531791     10.01602913    -11.37880670
  H     16.29582401     12.77733392    -11.38308069
  H     15.91726420     11.25082463    -10.02634596
  O     13.14982857      7.22253591    -13.69363761
  H     12.37421065     10.28419133    -14.58191464
  H     17.06935777     10.23732906     -9.92743253
  O     16.28321052     10.55416014     -9.46474747
  H     13.32539338      9.87402760    -15.72290806
  H     14.06889447      5.08667220    -15.82465175
  O     13.83719262      4.78439672    -14.93787049
  H     15.62355868     12.14062832    -14.69817690
  H     13.47174508      5.55217348    -14.47824827
          69
 Energy    -248.46538619554593     
  O     11.84204630     10.94379212    -14.75208189
  H     11.52963048     10.57384691    -13.91760033
  H     15.09192079      5.95870334    -15.30788341
  O     15.53926435      6.45016127    -13.55808828
  H     12.46020284     11.65258855    -14.53398719
  H     16.53875052     11.53339473    -15.50434900
  O     17.38196746     10.68963744    -11.90073667
  H     15.39308509      7.37659144    -13.81265065
  H     15.62455500     11.42564977    -16.73504553
  O     17.55653150     10.31263272    -14.58783002
  H     16.48421350      6.34521317    -13.40479514
  H     15.90906707      9.45486533    -14.54300840
  O     12.08918004      6.67452445    -16.04574514
  H     16.43091065     10.86382523    -11.91905580
  H     14.45974928      9.09152129    -15.02735610
  O     15.06366508      8.66609072     -8.70183600
  H     17.54472144     10.22323454    -11.07357256
  H     10.15116340      9.84367642    -11.86091519
  O     13.68478164      6.60286385    -11.54415657
  H     18.13375637      9.58316576    -14.83430627
  H     11.65849421      9.55579288    -11.69157572
  O     14.60405315     10.88384344    -12.32153766
  H     17.63210575     10.45056715    -13.62957607
  H     17.75332697      7.56005394    -10.17532885
  O     16.78249695      7.78702254    -17.09272425
  H     11.90723624      6.76991243    -15.09326172
  H     17.94025031      6.61451941    -11.38674791
  O     15.28303470      5.88397772     -9.34442136
  H     11.34457906      6.21270201    -16.42116299
  H     12.25002460      6.77855068    -12.73923040
  O     18.87776096      7.94190417    -15.44271839
  H     14.33231407      8.97083268     -9.25314899
  H     11.28968786      7.92159596    -13.12107199
  O     14.86470874      5.96788033    -16.24759581
  H     15.06046672      7.70284279     -8.77118658
  H     18.80451171      5.50299318    -13.42190936
  O     15.81345575     11.97691759    -15.96691703
  H     14.33895463      6.49462424    -12.25134568
  H     18.57429952      6.92097348    -13.97700474
  O     15.07748916      9.03129456    -14.28852617
  H     14.09781184      6.24917942    -10.74765891
  H     16.69396090      9.14591053     -9.14477613
  O     10.94906393      9.65226603    -12.34806625
  H     14.71718403     10.17630836    -12.97681421
  H     18.09046981      9.62868546     -8.69134445
  O     17.63232803      6.64926809    -10.47495258
  H     14.35086967     11.66656036    -12.82481616
  H     14.41485159      9.74106040    -17.47709182
  O     11.61856768      7.06353392    -13.41245811
  H     16.32145317      8.55256687    -17.45159269
  H     14.91907250     10.16199299    -18.87741204
  O     18.35458750      6.32666791    -13.24261784
  H     16.10670378      7.12515963    -16.88283367
  H     13.35410522      8.33906097    -11.03605755
  O     17.61094918      9.28566611     -9.44107062
  H     15.41678607      5.11721433     -8.79431628
  H     13.68225709      9.86245413    -11.21171545
  O     15.20053469     10.02883175    -17.97578552
  H     16.13932545      6.08190320     -9.76595080
  H     13.89662808     13.78686138    -14.23253639
  O     13.13407115      9.22907747    -10.72166522
  H     19.67063374      8.01242129    -15.96766631
  H     14.58981377     12.56190682    -14.87166379
  O     13.91858466     12.83397511    -14.21965133
  H     18.13280214      7.85222524    -16.06790674
  H     12.75700741      8.35799086    -16.34303360
  O     13.17741773      9.22597042    -16.36864574
  H     13.91196375      6.11136818    -16.27388736
  H     12.62808261      9.84440005    -15.86176652
          69
 Ord_Energy   -248.465118    
 O   -3.45550323       4.64730453       1.68914163    
 H   -2.91760468       5.14656496       1.06221771    
 H   -4.15570927       4.24477768       1.16191924    
 O   -3.64997029      -1.36388683     -0.736222088    
 H   -3.41163015      -1.95325100      -1.07019003E-02
 H   -3.90522814     -0.532350838     -0.314364672    
 O   -3.95345902     -0.573062301       3.04400706    
 H   -3.39619708     -0.116673984       3.68611741    
 H   -4.09966612       4.54632714E-02   2.31502223    
 O    2.97087455       1.42386091      0.449629664    
 H    2.75487661       1.52102935       1.38431740    
 H    2.95165229       2.30672741       6.14226982E-02
 O    2.64100242     -0.181383803      -1.70348275    
 H    3.48135185     -0.574716210      -1.92374575    
 H    2.77353287      0.317905992     -0.877038360    
 O    2.34347534       1.71720457       3.20973468    
 H    3.04082656       1.56724691       3.84326911    
 H    1.63726068       1.07926106       3.41901898    
 O   -5.17997837       3.35767317     -0.209197074    
 H   -6.02633333       3.60068488     -0.573392332    
 H   -4.51181602       3.53727007     -0.896187782    
 O    2.60429192       3.81335568      -1.09222901    
 H    2.19269514       3.26012492      -1.78285432    
 H    3.24070048       4.37473965      -1.52495813    
 O   -1.83962083       2.99399543       3.14062119    
 H   -2.45462108       3.61635303       2.72545838    
 H  -0.986435592       3.43322039       3.27548885    
 O   0.689192116       4.03056145       3.16110039    
 H   0.654524326       4.23503304       2.21749806    
 H    1.31098461       3.29550314       3.24253869    
 O   -3.15616441       3.87301302      -1.92300797    
 H   -2.65876603       4.58503246      -1.50136864    
 H   -2.52709961       3.15788460      -2.08536172    
 O   -1.30348802       1.74210882      -2.01145029    
 H   -1.54394007      0.863943219      -2.33668089    
 H   -1.24947810       1.67698467      -1.04884005    
 O   -1.91204822     -0.887095988      -2.73599029    
 H   -2.56817174      -1.10458326      -2.04841733    
 H   -2.23035812      -1.26519597      -3.55101085    
 O   -2.19308829      0.856073558       4.75774479    
 H   -2.11632085       1.66842294       4.22602415    
 H   -2.39175749       1.13026762       5.64955807    
 O   -1.17633998       1.63970208      0.806971431    
 H   -1.38381362       2.07183504       1.64865434    
 H  -0.916731894      0.725326777      0.994392157    
 O   -3.99282432       1.01724315      0.715141356    
 H   -4.50476885       1.77993906      0.418445617    
 H   -3.06521177       1.28098214      0.697589517    
 O   -1.75574374       5.77453995     -0.321520776    
 H  -0.984806418       5.23189497      -8.36792216E-02
 H   -1.44255555       6.66876459     -0.429567724    
 O   -2.86348605      -2.63071322       1.69334769    
 H   -3.31339240      -1.96733642       2.24841547    
 H   -2.99149370      -3.47762704       2.11060190    
 O    1.38285780       2.12361336      -2.78178716    
 H   0.436297327       2.03559041      -2.60760760    
 H    1.78234756       1.27284479      -2.55818534    
 O  -0.589303613      -1.01184976       1.31296396    
 H  -0.185102075      -1.29743993      0.479599386    
 H   -1.33887851      -1.59755778       1.47394550    
 O   0.330136150      -1.68112707      -1.14413166    
 H  -0.358565629      -1.45763159      -1.78144526    
 H    1.12766051      -1.20539963      -1.40862525    
 O   0.278687090       4.08960819      0.365673751    
 H    1.09936213       4.03981256     -0.142179370    
 H   -7.79081583E-02   3.19595551      0.443427056    
 O   0.341259032      -1.12137403E-02   3.72313094    
 H  -0.484185904      0.206959963       4.17000246    
 H    9.28858519E-02 -0.470235050       2.90808511    
          69
 Energy    -248.46473613716398     
  O     18.99209245      8.90281493    -15.94779509
  H     18.06733237      8.79203353    -16.19185999
  H     19.66426684      5.44750014    -15.51976514
  O     21.52181377      7.05826351    -13.32177956
  H     19.34676847      8.00098258    -15.89553364
  H     18.26277409      3.30429299    -12.56971984
  O     16.87847290      8.70177933    -10.21074331
  H     21.32113182      6.47224049    -12.58108078
  H     19.02175976      3.56897272    -13.88663373
  O     13.54964880     11.09989260    -12.73110658
  H     21.07626011      7.89817486    -13.16267125
  H     14.54315969     10.02415608    -13.88190877
  O     16.24014822      8.20723681    -16.51029508
  H     16.09017785      8.13798828    -10.22179089
  H     15.98730680      9.48713398    -13.76497207
  O     11.93244340      8.83544977    -12.02143635
  H     17.62374475      8.08766767    -10.16977869
  H     18.45779723      6.62881403    -14.02762470
  O     18.63555819      6.57406868    -10.68220806
  H     13.33250759     12.02606507    -12.79567241
  H     17.64650096      7.72151924    -13.27003239
  O     14.64044763      7.03169692    -10.30390982
  H     14.01053109     10.97925838    -11.88116980
  H     14.40758785      6.32698671    -13.28503360
  O     20.83154850      5.03087649    -11.42313365
  H     15.78482671      8.62220612    -15.76008593
  H     14.38057610      7.86817238    -13.47053321
  O     16.46303458      4.91934071     -9.97294441
  H     15.78790612      8.50695595    -17.29641737
  H     17.97887967      4.31574243    -16.00264507
  O     16.51340785      3.03676792    -11.89365769
  H     12.31627726      9.65933415    -12.34707602
  H     18.91147467      3.16459636    -16.44686237
  O     19.80714251      6.37897194    -15.32372528
  H     12.45901533      8.13040871    -12.42330843
  H     14.02678177     10.06447338     -9.85238142
  O     19.12948026      3.53062247    -12.92899296
  H     19.46899621      6.09028687    -10.71114481
  H     15.53287324     10.12688044    -10.17335873
  O     15.15269741      9.37125973    -14.24711629
  H     18.32798456      6.59621344    -11.60142750
  H     20.70701300     10.38974968    -13.68804403
  O     17.79329347      6.77011959    -13.34166449
  H     14.40685589      7.04092391    -11.24330722
  H     19.74306037      9.46531323    -14.46692446
  O     13.95432781      7.13488728    -13.00720603
  H     13.94554246      7.51584538     -9.84247798
  H     16.41289214      5.65933651    -13.51132628
  O     18.78076540      3.81653212    -15.76361262
  H     21.47924332      4.45242279    -11.02985685
  H     15.82779308      4.28350591    -13.10845202
  O     14.69781868     10.58939573    -10.30822530
  H     20.25156738      4.47073516    -11.97073512
  H     16.07956374      5.13699271    -15.43425843
  O     20.09955717      9.66198378    -13.58051465
  H     15.74103152      5.56116332     -9.99227252
  H     16.50543394      6.25671030    -16.40061923
  O     15.65379436      5.06689770    -13.64225875
  H     17.27208828      5.43647248    -10.08114545
  H     12.27265779      8.80463574    -10.29749213
  O     16.55187111      5.30419045    -16.26257465
  H     16.15434145      2.21156690    -11.57994720
  H     11.91456197      8.81191857     -8.78993371
  O     12.64803785      8.80188418     -9.39815309
  H     16.47481192      3.66356079    -11.14754357
  H     18.37922449      9.67494785    -12.93459811
  O     17.44079601      9.49470718    -12.79423623
  H     20.53908478      6.47205419    -14.69515556
  H     17.29047253      9.32315845    -11.85394442
          69
 Energy    -248.46430750952140     
  O     11.45913552     10.22092761    -10.64200523
  H     11.51659480     10.12773382    -11.61078478
  H     13.12700292      4.80295729    -12.62422696
  O     10.82877753      4.32542699    -10.92299192
  H     11.06103653     11.07059228    -10.47074939
  H     14.77998713      6.83727397    -15.17532131
  O     16.87150932      5.71570495    -13.06053584
  H     11.48231849      4.02005129    -11.56151869
  H     15.75113142      6.78770378    -13.95988547
  O     14.31093571      5.49586329    -16.40445542
  H     10.19399377      4.87173354    -11.40356365
  H     13.85082028      6.83859111    -13.13225200
  O     14.99127091      3.08403087    -10.88908662
  H     16.60610318      5.57905245    -12.14183262
  H     12.32961503      6.87233712    -12.84966759
  O     16.92313701      9.79885933    -10.09711278
  H     17.59342841      6.36161024    -13.03408591
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  H     18.28373574      8.63485521    -12.76662079
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  H     15.58503939      2.34136146    -10.80528191
  H     13.57084890      6.71458750    -10.80303833
  O     15.35948593      3.84819675    -14.53388000
  H     15.95652504      9.77868117    -10.09456744
  H     13.13136577      6.41736935     -9.34285292
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  H     17.17474302     10.11652238    -10.97314150
  H     16.96995206      6.08507420    -10.05084537
  O     15.05111549      7.31038092    -14.37947842
  H     11.30270898      5.15892922     -9.46379256
  H     15.42397433      5.96255125    -10.08097093
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  H     11.33470307      5.25730429     -7.91923716
  H     17.68341127     11.12636972    -13.34403319
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  H     14.52299241      9.58884198    -12.27410258
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  H     14.83826340      8.93301417    -13.66630305
  H      9.33718161      6.89570668    -11.26400615
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  H     12.58482093      5.15185831    -15.66765787
  H      8.09555181      6.27950930    -11.95860500
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  H     14.09641724      8.53828759    -10.14181287
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  H     18.86871835      7.52637987     -9.06974873
  H     13.27117710      9.81912895    -10.39791991
  O      9.04804822      6.30803116    -11.98645919
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  H     11.12011403      6.49859923    -14.42884894
          69
 Energy    -248.46422792860875     
  O     -7.16746371      1.74162395     -0.19167945
  H     -6.92074505      1.56316258      0.72016684
  H     -4.54475083     -0.04321471      3.55424563
  O     -4.29885839      3.05476721     -3.15262416
  H     -6.79861449      2.61738191     -0.39343139
  H     -0.54308150      0.89631021      1.43690468
  O     -5.80875765      0.81674563      2.31014264
  H     -4.37253757      3.42163328     -4.03017955
  H     -0.91858609      1.76753797      2.67793945
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  H     -1.57308720      2.77105525      0.81849265
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  H     -6.29993488      0.02083035      2.05791503
  H     -2.74007250      3.80345925      0.57497495
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  H      1.13978759     -0.71137581      0.12237137
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  H      2.12585809      0.45327635     -0.03884645
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  H      2.42572797      2.93592709      0.76877831
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  H     -0.54241936     -0.45491730     -2.52996941
  H      1.06751675      2.22151656      0.93324134
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  H     -1.60719278      0.63841730     -2.26894581
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  H     -6.10801694      1.00709539     -1.44522394
  H     -2.59730532      0.91739575      4.08322789
  O     -3.69636998     -0.39336947      3.85048975
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  H     -7.44531244     -0.96154951      0.30726076
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  H     -5.08355483     -3.96841601     -0.32309359
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  H     -4.04729652      5.81138202      1.59874883
  O     -2.06019863      1.72917819      4.13383245
  H     -1.89644096      2.76997003     -1.50750936
  H     -4.22045522      4.32750209      2.00924476
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  H     -5.17586219      4.39637403     -0.17205592
  O     -3.84279469      0.80949085      0.36578102
  H     -0.96354505     -0.51677685     -0.37287334
  H     -5.22547897      3.83511010     -1.61338252
  O     -4.00321348      4.91922625      1.26597156
  H     -1.38659558     -1.18521701      0.95355722
  H     -3.63785288      2.71371502      3.57294473
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  H     -3.41487200     -0.98781615      3.14097212
  H      1.19926990      1.46188803     -2.72783648
          69
 Energy    -248.46370050889584     
  O     -3.47495452      5.15896203      4.14541894
  H     -3.10076398      4.92264845      3.28024841
  H     -5.10403873      4.13953989      4.44002489
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  H     -3.37380078      6.10343741      4.23665743
  H     -2.29951877      4.37360107     -1.63379021
  O     -1.41117000     -0.03008252      2.90739283
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  H     -6.88700058      2.61400689      3.59419141
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  O     -6.94665879     -0.69901607      3.70438328
  H     -6.37392805      1.59959357      1.58519757
  H     -1.39906093      4.02346212      2.05804796
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  H     -4.19813365      1.58986769      1.94167675
          69
 Energy    -248.46357011498026     
  O     -3.10535137      1.71779242      2.72925003
  H     -3.42615284      2.61168526      2.64825086
  H     -1.23525648     -3.05024642     -0.92189632
  O     -2.04427218     -1.44077121      6.98435149
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  H     -1.72038817     -5.28900901     -0.29020798
  O      1.61589622      0.36607504      2.18041463
  H     -2.30678739     -1.00950947      6.15419249
  H     -2.65441007     -6.51700897     -0.39391204
  O     -2.61956063     -0.40716839      4.47372743
  H     -2.12829222     -0.78530764      7.67241275
  H     -0.29368666     -2.14210700      2.79301149
  O      1.79564571     -4.91140539      4.54910633
  H      2.38620064      0.78189870      2.55967656
  H      0.25969169     -3.34933924      1.97063255
  O     -3.64263956     -3.83260614      6.73776071
  H      1.15471058     -0.08360407      2.90809240
  H     -2.64113833     -5.04148823      1.73281947
  O     -0.06409300     -3.08177668      5.77704398
  H     -2.82458600      0.40754689      3.99770128
  H     -1.88666714     -3.84378940      2.35376029
  O      0.13993018     -7.07423326      4.51533761
  H     -3.16103470     -1.10165681      4.06912101
  H      1.91148388     -4.18525381      0.86376227
  O     -5.83895184     -3.12389489      5.26100742
  H      1.35067159     -4.19466130      5.01656345
  H      1.20496794     -5.30837638      1.67324107
  O     -0.90619613      1.27560938      1.22528288
  H      1.88450766     -4.64091287      3.62486901
  H     -3.77117972     -3.09538890      2.94304752
  O      0.22314787     -6.76655349      1.65763488
  H     -3.05118537     -4.39529005      6.21959712
  H     -4.89175324     -2.54386717      3.87413258
  O     -0.92875843     -3.94767508     -1.09510053
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  H      1.81539594     -2.59790722     -0.74018354
  O     -2.14180664     -6.00168154      0.22302389
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  H      2.56593490     -3.64431577     -1.60054385
  O     -0.51179073     -2.78141406      2.10556888
  H     -0.64861891     -3.79636081      5.48186011
  H     -0.82230319     -0.62780942      4.17088932
  O     -2.64689524     -4.43393754      2.48101484
  H      0.49567481     -7.81903287      4.99265552
  H      0.20752713     -1.65764244      4.69469286
  O      1.64724683     -4.44659343      1.75355798
  H      0.80560198     -6.36390501      4.56621236
  H      0.38283768     -0.96821916     -0.42747644
  O     -4.22451180     -2.28828297      3.22109041
  H     -6.62746039     -3.55845559      5.57324766
  H      1.54875738     -0.53562391      0.48110948
  O      1.92874158     -3.55262481     -0.89737720
  H     -5.11895974     -3.41625036      5.84588340
  H     -2.38017121     -1.08360178      0.21332109
  O      0.09426443     -0.92356281      4.07412251
  H     -1.12566990      0.48737794      0.71399671
  H     -1.11812538     -1.83019539      0.73062413
  O      1.34613555     -0.97155182     -0.35529609
  H     -0.00084782      1.14293579      1.52895630
  H     -2.17998447     -4.94780604      4.14694958
  O     -1.46231787     -1.30246855     -0.00864865
  H     -0.62683824     -6.63159948      1.22206241
  H     -1.24275349     -5.90191358      4.93101333
  O     -1.81677879     -5.13193851      5.02490580
  H      0.04655381     -6.99819795      2.57746649
  H     -4.13573190     -1.20453285      1.72646565
  O     -3.88343935     -0.56427617      1.04583764
  H      0.03536196     -3.90485622     -1.09896452
  H     -3.79513087      0.27303447      1.51333595
          69
 Energy    -248.46349183140524     
  O     11.58376873     10.15521800    -12.74934754
  H     11.93127406     10.79514417    -12.11697412
  H     15.86123671      8.20605097    -16.64059137
  O     16.42935330      7.94544984    -14.97672087
  H     11.91629703     10.42719020    -13.61235867
  H     18.83365913     11.00020931    -15.06397251
  O     17.56115148      9.81419171    -10.81969617
  H     15.89457930      7.28114984    -14.51667905
  H     19.22352554     11.13078585    -13.58178641
  O     16.53401640     12.63869848    -13.72776663
  H     17.21594032      8.07418799    -14.43123747
  H     14.71794894     13.11860709    -13.53263133
  O     12.74536190      8.61779104    -16.49372328
  H     16.59830508      9.90306403    -10.80524857
  H     13.39627348     12.58298567    -14.12766785
  O     16.47974122      6.22197167     -9.92237551
  H     17.81222813      9.28637704    -10.04742045
  H     15.80771925     10.94304635    -13.75284203
  O     15.19606340      6.08391607    -13.36961645
  H     17.23042295     12.55978059    -13.06326176
  H     15.70400399      9.43605716    -14.19782495
  O     14.80397284      9.98626519    -11.03036190
  H     16.96637664     12.61349192    -14.59210006
  H     11.50614868      8.46775126    -12.34247990
  O     17.72746187     12.12333324    -16.19650044
  H     12.65536635      7.87987133    -15.87162920
  H     10.63390243      7.28994587    -11.84680241
  O     17.83426585      5.68031253    -12.40797792
  H     13.56852993      8.46352657    -16.96887329
  H     12.19222088      6.85780276    -13.78904746
  O     15.32732805     11.18469674    -16.99804592
  H     15.60200067      6.50085694    -10.21379679
  H     13.51255587      6.25006270    -14.28070019
  O     15.45920984      8.42105992    -17.49933265
  H     16.94861102      5.93421833    -10.71474500
  H     19.18705823     12.51750098    -11.35780965
  O     19.30389552     10.55222169    -14.35097476
  H     16.05372575      5.73677541    -13.09670071
  H     18.28982352     11.26430213    -11.49124303
  O     13.75715295     13.14283928    -13.42861015
  H     14.81693326      6.51012252    -12.58618424
  H     18.08858212      8.75503660    -12.26550159
  O     15.28079149     10.13518113    -13.68655053
  H     14.17687228     10.69392219    -10.84412909
  H     18.87405892      8.99478307    -13.57384158
  O     11.51801096      7.51944574    -12.12035566
  H     14.91884955      9.98403252    -11.99563814
  H     17.47864174      7.40493946     -9.08054834
  O     12.66946655      6.60337083    -14.58809241
  H     16.87877689     11.78598492    -16.53576940
  H     18.18865462      7.93832546     -7.82288882
  O     18.63817579     12.03597774    -11.97101155
  H     18.08774185     12.68683114    -16.87631845
  H     14.35106426      8.22333942    -10.97743697
  O     18.42707965      8.30971135    -13.05445674
  H     18.14900032      6.57089002    -12.63535361
  H     13.18551672      7.27417886    -11.33546687
  O     18.04070250      8.12526053     -8.74537814
  H     18.56947285      5.08735818    -12.54200511
  H     12.50068713     12.72861387    -10.51980147
  O     14.12070318      7.29093729    -11.09465360
  H     14.51268288     11.26088397    -16.49119024
  H     13.21545637     12.53508489    -11.87806191
  O     12.91013257     12.07237097    -11.07691059
  H     15.36554189     10.26674621    -17.29896830
  H     12.80480394     10.16802871    -15.66221268
  O     13.06288628     10.92726273    -15.11438836
  H     15.82291796      7.81055825    -18.13522709
  H     13.80312144     10.61730581    -14.56782526
          69
 Energy    -248.46345811137539     
  O     -0.48066103      3.34582963      2.82565073
  H     -0.65765317      4.15356845      3.33025943
  H      1.58137408      1.43255423      0.19127567
  O     -3.22344233      4.31239651     -0.21098549
  H      0.34451728      2.95789561      3.14142812
  H     -0.34141608      4.18352148     -2.57227294
  O      0.77763736      7.67708317      1.15139020
  H     -2.77982596      3.55150721      0.19556936
  H     -0.48950427      2.92080011     -3.44602770
  O     -1.18250584      5.42037605     -1.64281656
  H     -2.57376232      4.74164271     -0.78998796
  H     -1.26580939      8.33880500     -1.29910486
  O      2.85588751      4.28278002      0.02986274
  H      1.34684939      7.66347028      0.36663918
  H     -1.24519909      8.79807460     -2.77861203
  O      0.24374894      4.99608401      0.63607552
  H      1.30273481      7.59466062      1.95587602
  H     -2.22158438     -0.27151729     -1.71291536
  O     -3.03814416      6.32183606      1.76898506
  H     -0.64326338      5.30073486     -0.84309551
  H     -1.46492498     -1.42014956     -2.42482808
  O      0.15678109      1.44567394     -0.99794191
  H     -1.11951372      6.34461581     -1.91086264
  H      3.23723802      4.68387936      1.84900884
  O     -0.92055138      5.85364199      3.78338910
  H      1.93493517      4.50637890      0.23795620
  H      2.82622184      3.91973351      3.12101312
  O     -1.86725070      2.13119681      0.81089410
  H      2.95878640      4.48682368     -0.90542003
  H     -4.00825877      3.33838789     -1.55503681
  O     -1.73622229      8.44448529      0.36516503
  H      0.36511269      5.90792494      0.93672039
  H     -5.11516568      3.02663851     -2.58326436
  O      2.31418350      1.64111851      0.78466388
  H     -0.01314876      4.45145866      1.38961172
  H     -1.78260746      1.02049250     -3.45492017
  O      0.16419290      3.46704670     -2.98612316
  H     -3.86674242      6.37924370      2.24141871
  H     -2.73924094      2.22066600     -3.38304179
  O     -0.90108919      8.14007978     -2.18151887
  H     -3.14897859      5.61277607      1.11770459
  H      2.32929993      1.51481594      3.96385735
  O     -1.45789689     -0.47808214     -2.28143377
  H      0.24191789      2.15252937     -1.65117928
  H      2.14070175      1.91114308      2.47770026
  O      3.12645439      4.78031275      2.80376966
  H     -0.26911695      0.70218766     -1.44337978
  H      1.71627915      4.38676552     -2.87385825
  O     -4.27137369      2.72263456     -2.25695558
  H     -1.52208815      6.18388181      3.10602316
  H      3.03602212      4.90958773     -3.47694369
  O     -1.94026185      1.90066806     -3.81881377
  H     -0.10109874      6.35924574      3.72719713
  H      2.29704836      6.18886051      3.37346727
  O      2.02237539      2.21642802      3.39676978
  H     -1.14069429      1.92356779      0.20593817
  H      2.24493615      7.38889987      4.34836560
  O      2.48507954      4.95412756     -2.69898385
  H     -1.46365261      2.45877810      1.62647782
  H     -3.02388395      0.91250848     -0.02284733
  O      1.78119500      6.97598933      3.62523803
  H     -2.29492773      7.79906516      0.81262195
  H     -3.91170764      1.10678442     -1.26143951
  O     -3.48829132      0.42856573     -0.72062161
  H     -0.84799307      8.30859819      0.73090856
  H      2.05013741      6.67717608     -1.85242596
  O      1.79923086      7.48760812     -1.39554837
  H      2.66346028      2.48542746      0.46747575
  H      0.96579287      7.77240271     -1.79198931
          69
 Energy    -248.46340660842924     
  O     13.52026587     11.96682244     -8.17254410
  H     13.79524058     11.84091935     -7.26939410
  H     16.17888660     14.59382914    -18.03724717
  O     11.17197242     10.77228243    -15.22287332
  H     14.21426211     12.50418597     -8.59436411
  H     13.31350753     13.28578891    -12.62593511
  O     18.07583263     13.06848334    -13.48410245
  H     11.23199085     11.10525138    -16.12684980
  H     13.22339016     14.51321371    -11.69029507
  O     12.10412925     11.58155214    -10.45965880
  H     10.97763020     11.53702697    -14.66201733
  H     11.66146136     13.56435245    -16.56265853
  O     13.01245138      9.31545841    -11.84647483
  H     19.01704802     13.22050887    -13.50277090
  H     11.20466082     13.95352342    -15.14677055
  O     13.66222210      9.86997640    -14.50315033
  H     17.84001334     12.67000756    -14.34101335
  H     14.19725898     11.50744465    -13.94245605
  O     14.60590466     15.66014131    -11.15134152
  H     12.52166468     11.64665382     -9.58863028
  H     15.13073453     12.20389296    -12.90390324
  O     10.51861732      9.05213550    -13.01767339
  H     12.34256027     12.38265029    -10.94645908
  H     16.99262550     12.64269670    -16.50231762
  O     14.44786987     14.44242444    -15.36604666
  H     12.16524713      9.01982131    -12.21134529
  H     16.85822901     11.20059822    -15.97705081
  O     14.27808920     11.57102639    -18.01750006
  H     12.80304299     10.10072243    -11.32170293
  H     11.20225661     11.96468425    -18.54401955
  O     10.55730375     12.96707899    -13.57594503
  H     13.52925570      9.58373380    -13.59019957
  H     12.57564245     11.83884663    -17.84273893
  O     15.93989770     13.81710196    -17.53919852
  H     12.79565359     10.14449903    -14.83779615
  H     14.80951562      9.11706227    -11.56129574
  O     12.70923427     13.78315151    -12.05246093
  H     15.21556044     15.57267473    -11.90551374
  H     16.04208689      8.39913184    -10.99530829
  O     11.74659168     14.24936362    -15.88761915
  H     14.58680313     16.58515130    -10.92142832
  H     15.95941147      8.85210608    -16.47298195
  O     14.46301147     12.36209980    -13.58505729
  H     10.62480752      9.46766396    -13.88281801
  H     14.98582583      9.71814638    -15.64257696
  O     17.36116263     12.01645443    -15.86695097
  H     10.04783961      9.70451354    -12.48330799
  H     16.30877915     10.89183103    -11.60837567
  O     11.62878332     12.01018407    -17.69262075
  H     14.53030537     13.67000636    -14.78528049
  H     17.09300595     12.13529992    -12.20381340
  O     15.77751088      9.15681924    -11.51167880
  H     13.50402254     14.52564291    -15.56307171
  H      8.89629230     11.37059032    -10.81321712
  O     15.68401398      9.75222168    -16.31857015
  H     14.74868868     10.88224719    -17.53357805
  H     10.42747010     11.36735489    -11.02470511
  O     16.35787539     11.85791456    -11.64221593
  H     14.84320913     12.35283708    -17.97846524
  H     16.86400293     14.60179714    -13.36056043
  O      9.57183046     11.28588907    -11.48109137
  H     10.02506943     12.47189861    -12.94177053
  H     15.62492765     15.17371612    -14.08698739
  O     16.20485154     15.30444501    -13.32465119
  H     11.26671519     13.37060529    -13.05323890
  H     15.14012256     14.23581001     -9.98373205
  O     15.37581384     13.41319949     -9.54056291
  H     15.40236962     14.11809142    -16.78463407
  H     15.77280642     12.85234404    -10.22177345
          69
 Energy    -248.46329013704465     
  O     12.74981760      9.50034474    -11.11546220
  H     12.91333610      9.73909316    -10.19311003
  H     16.63422001      9.35794086    -12.14319771
  O     11.70008365      6.12020540    -12.46067306
  H     13.30479349      8.74310536    -11.33656078
  H     13.94169672     14.08502201     -7.83823191
  O     13.02350306     11.72078308    -12.66580107
  H     11.39577880      5.30969032    -12.85885180
  H     13.13824218     14.96063480     -6.84748428
  O     13.03156954     10.25026009     -8.45995344
  H     11.70289980      6.79726234    -13.16515711
  H     11.86263446     12.72767137    -11.76090172
  O     16.37955989      8.34664436    -10.48204069
  H     13.93756451     11.97634573    -12.49784103
  H     10.33292039     12.89593683    -11.64385528
  O     15.53598744     14.88625699    -10.93952042
  H     12.88463785     10.89749298    -12.16961230
  H     10.75969463      8.14977929     -8.86976556
  O      8.56788745     10.06363749    -10.51709059
  H     12.49931242     11.05719441     -8.47711337
  H     10.31728932      9.17241618     -7.81256868
  O     15.61878809     12.22123896    -11.78166751
  H     12.43826252      9.53990351     -8.17350986
  H      8.74765549     11.18087781     -7.13797173
  O     15.48964115     13.52846017     -8.41246261
  H     16.97980772      7.69617023    -10.12451341
  H      9.96353231     11.44557889     -8.05497994
  O     10.44405758      8.00132687    -10.74840002
  H     15.63470497      7.85407804    -10.86347678
  H     14.71747686     10.62547896     -8.92137112
  O     12.89838054     15.24495903    -10.40092680
  H     14.58400933     15.05952639    -10.82731138
  H     15.94120296      9.99812278     -9.62493029
  O     16.47616932      9.84375769    -12.96083847
  H     15.93167538     15.70034945    -11.23819628
  H     12.85018769      8.24551387    -14.45729199
  O     13.05457419     14.43486336     -7.63814696
  H      9.09767277      9.26622089    -10.65323292
  H     11.46873935      8.91841861    -14.27481990
  O     11.16977497     13.17988973    -11.25618397
  H      8.69114953     10.30998348     -9.59306276
  H     10.14955896     11.01186829    -13.62382877
  O     10.98028858      8.49428236     -7.99410508
  H     15.56693823     11.77216454    -10.92531281
  H     11.66860188     11.09345281    -13.80665199
  O      9.26610182     10.80253745     -7.84356995
  H     15.67898328     13.16633145    -11.59761081
  H      8.75391245     11.26185804    -11.74650632
  O     15.57363610     10.83697997     -9.32366863
  H     15.65146681     12.59837153     -8.61449864
  H      8.08058395     12.22147283    -12.75569003
  O     11.91674338      8.06033294    -14.30684877
  H     15.66357803     14.01644780     -9.22735590
  H     15.24440843      7.95984807    -15.16762434
  O     10.88212457     10.62140585    -14.11227722
  H     11.15053333      8.63724518    -10.93883859
  H     15.39311222      8.91296477    -13.96288002
  O      8.92821321     11.94856140    -12.41517744
  H     10.67700382      7.21759940    -11.25680236
  H     13.43342845      6.68298240    -11.91181743
  O     14.80073822      8.26217310    -14.37914584
  H     12.23034293     14.65679361    -10.77717901
  H     14.46582522      7.47722541    -12.74646402
  O     14.24168003      7.20721353    -11.84324040
  H     12.85717250     15.11629859     -9.44558320
  H     11.85539842     13.16174301     -8.16772546
  O     11.33184562     12.46662459     -8.58643655
  H     16.25763639     10.74583039    -12.69027282
  H     11.24198302     12.69543701     -9.52335276
          69
 Ord_Energy   -248.463211    
 O   -4.64053679       4.95989990      -1.06797850    
 H   -5.26716948       4.66930389      -1.72614121    
 H   -4.06778526       5.62487078      -1.49462366    
 O   0.681519747       6.02601767      0.104848184    
 H   0.821202636       6.81468391      0.649930775    
 H   0.963911235       5.24442339      0.604860306    
 O   -3.45615959       2.99609971       5.21298885    
 H   -3.13774848       2.63295937       4.37515783    
 H   -3.95322680       3.79185987       4.98683023    
 O   -2.60153937       6.95722723       5.47097063    
 H   -2.33478570       6.59226131       6.32542992    
 H   -3.25362444       6.35937691       5.08061409    
 O  -0.398644120       5.54943895      -2.31665897    
 H    5.78115992E-02   5.76645184      -1.48387933    
 H   0.258082867       5.58035374      -3.00695896    
 O   -1.77208591       6.07810640       1.44674015    
 H   -1.00361264       5.94661236      0.877582371    
 H   -1.41259623       6.29010963       2.31894350    
 O  -0.430258065       6.48211098       3.83613873    
 H   -1.12248349       6.71687078       4.46853971    
 H  -0.245207623       5.54166508       3.96062779    
 O   -2.00671840       3.44950604      -1.29098344    
 H   -1.44720888       4.11645651      -1.71112943    
 H   -2.87344599       3.85158134      -1.19216621    
 O   -2.79357409       8.32593918      0.184638977    
 H   -2.46348071       7.53953075      0.646329284    
 H   -2.37737989       9.07270145      0.629175603    
 O   0.724907994       8.14293766       1.88296866    
 H    6.78519309E-02   8.84700775       1.84212327    
 H   0.488910615       7.62552738       2.66639519    
 O  -0.734937727       1.79114997      0.449057281    
 H  -0.516077936      0.982039452      -5.67092979E-03
 H   -1.20270836       2.35562658     -0.191597626    
 O   -4.54712343       5.41472721       4.12814522    
 H   -5.08236361       6.19931221       3.95253563    
 H   -4.36695147       5.03422642       3.25686955    
 O    1.10239720       3.72304797       1.53096509    
 H   0.869605422       3.72467327       2.46737313    
 H   0.574546754       3.01868033       1.13507581    
 O   -1.48937678       10.0467262       1.95376956    
 H   -1.37679040       10.9802532       2.11129689    
 H   -2.10276771       9.72192383       2.63813901    
 O   -3.25786948       9.06188297       3.76800323    
 H   -4.14205647       8.75465870       3.53928518    
 H   -2.95993233       8.46276951       4.46591139    
 O   -5.39886904       7.41636944      0.553731918    
 H   -4.55451584       7.86694098      0.401241511    
 H   -5.35162163       6.60616207       4.11959216E-02
 O   -3.86732340       4.40450144       1.60557508    
 H   -4.30891037       4.46785975      0.753803372    
 H   -3.10110450       5.00167704       1.54598975    
 O   -2.94643736       6.76897240      -2.11127138    
 H   -2.05579257       6.44316387      -2.28998828    
 H   -2.85331297       7.46199560      -1.44225740    
 O   -2.27596927       2.44405365       2.70730925    
 H   -2.88724566       3.06520009       2.28404260    
 H   -1.75539982       2.05987811       1.99151015    
 O   -1.21056974       3.14115167       6.70580769    
 H   -1.08546674       2.31577754       7.16688442    
 H   -2.06271386       3.07206440       6.23597908    
 O   -5.79385757       7.78253031       3.21810985    
 H   -5.71810579       7.63746214       2.25863934    
 H   -6.64139366       8.19356346       3.36752582    
 O   -1.63243866       5.71695662       7.73445845    
 H   -1.43244207       4.81274176       7.44975615    
 H  -0.979492486       5.93785524       8.39458370    
 O  -0.170037180       3.71792722       4.09445429    
 H  -0.329212993       3.51858187       5.02371025    
 H  -0.904949129       3.31490421       3.60935235    
          69
 Energy    -248.46319499729412     
  O     14.78444430      8.21539442     -8.71577593
  H     15.00544484      7.56617302     -8.05341288
  H     12.00690345     11.87973184    -10.00825428
  O     16.95730539     11.12793673    -15.00715760
  H     15.32614238      8.01616419     -9.49975929
  H     18.34455305      4.61461527    -12.55467088
  O     12.52131371      8.41601037    -10.42729563
  H     16.27492746     11.79106224    -14.84565697
  H     16.98466769      4.75480226    -11.85192715
  O     16.46954482      8.37563276    -15.15909100
  H     17.80045247     11.56590807    -14.83209345
  H     17.15172525      7.57208528    -10.93012351
  O     18.85121025      7.75169295    -13.80147482
  H     13.20394928      8.27982214     -9.75828484
  H     16.15040779      8.58187649    -11.55714320
  O     20.02030469     10.14507756    -12.91873062
  H     12.41069491      9.37122018    -10.48894257
  H     19.36995505      4.38918863    -14.97407866
  O     18.89875159      7.15188337    -11.09022551
  H     16.67194195      9.29339709    -15.37630155
  H     18.03189941      5.10513736    -14.66163266
  O     12.62893551      6.61542108    -12.47192053
  H     15.55175848      8.37608378    -14.84028557
  H     18.05721289     13.19923233    -12.88919112
  O     15.16764546     13.14163395    -13.98481460
  H     19.05471404      6.84179279    -14.05390514
  H     17.37978417     12.89361485    -11.53788179
  O     13.87955350      8.47457435    -14.27217169
  H     18.00787042      7.96920216    -14.22320282
  H     16.37384279      6.48646659    -15.23472159
  O     13.59691254     11.00798669    -13.04876817
  H     19.96888694     10.03322273    -11.96311619
  H     15.93006321      5.51552015    -14.12333841
  O     12.61205447     11.30282245    -10.46598865
  H     19.70676778      9.31945407    -13.31216632
  H     16.57805359     10.29981284    -13.28592055
  O     17.93010973      4.65680602    -11.68287846
  H     18.67159094      6.21040742    -11.09684109
  H     15.22689433     10.35276716    -12.54885175
  O     16.21631775      7.80453572    -10.98444556
  H     18.91880551      7.41552395    -12.02327540
  H     19.61974342     11.62466798    -13.67214041
  O     18.95189881      4.98461185    -14.35870793
  H     11.75636569      6.25783159    -12.61429947
  H     20.03936538     12.82597731    -14.55387690
  O     17.30746179     13.44112008    -12.32997027
  H     12.55503897      7.24521315    -11.73354819
  H     16.97022222     10.95234972    -11.09927096
  O     16.39775210      5.55799790    -14.96903339
  H     14.95429492     13.98798741    -14.36864384
  H     18.18030476     10.87015276    -10.14692285
  O     16.15848851     10.11933895    -12.43766236
  H     15.88162817     13.29774580    -13.34043129
  H     14.31087256      5.72380572    -12.42660946
  O     19.29218631     12.42914891    -14.11508259
  H     13.62739277      9.34011603    -13.92553897
  H     15.60161685      6.36549769    -11.92052657
  O     17.40128638     11.39856470    -10.35193985
  H     13.43200760      7.82075271    -13.72379287
  H     20.35358249      9.56635753     -9.47900392
  O     15.26312527      5.57966892    -12.37360321
  H     13.17828639     11.19904016    -12.19896642
  H     19.41523677      8.69088159    -10.33660589
  O     19.64077043      9.60930334    -10.11226182
  H     14.00096219     11.82286940    -13.37605198
  H     15.78990561     11.25007512     -9.38616908
  O     14.90493309     11.04029181     -9.06208745
  H     13.43473403     11.28610758     -9.94344907
  H     14.92013507     10.10957330     -8.80514550
          69
 Energy    -248.46313432514842     
  O     16.73714187     10.67658207    -10.47396054
  H     17.51648277     10.18903124    -10.78200674
  H     13.20925219      9.73254566     -7.30013683
  O     14.81465615      5.04342054     -6.93241128
  H     16.02028490     10.42173031    -11.07380755
  H     16.23894520      6.24523615    -12.61974636
  O     12.63905751      6.51578818     -8.10399074
  H     15.05674160      5.79597233     -6.36210591
  H     16.96319973      5.20398371    -13.49896788
  O     14.82754702      9.56957758    -12.09378698
  H     14.85287926      4.26281513     -6.38720923
  H     15.65236039      5.58752376     -8.49835832
  O     18.89298040      9.15574410    -11.28876650
  H     12.85880313      7.36835364     -7.70282901
  H     15.95450294      7.02706005     -8.99237098
  O     20.88178472     10.03108023     -9.50967155
  H     13.26212634      5.88572465     -7.72557577
  H     17.76915413      7.63560422    -13.72620650
  O     18.42376535      6.52177084    -10.48785905
  H     14.88387865      8.61431323    -11.96280202
  H     18.44163119      8.86375804    -13.09455166
  O     12.14506541      6.91771578    -10.72433661
  H     15.07313794      9.75318456    -13.01275454
  H     17.35346431     12.14989889     -5.70945594
  O     15.43237010     12.01386623     -8.25648894
  H     19.68326948      9.45861525    -10.82570063
  H     16.64000706     11.72535486     -7.01485394
  O     12.52338984      9.76627961    -10.55083596
  H     18.71643139      8.25712700    -10.97431585
  H     16.64630633      9.48439710    -14.44605459
  O     12.69524966     11.25459116     -8.30650260
  H     20.25241166     10.71722715     -9.22191943
  H     15.95342268     10.50117073    -15.37279611
  O     13.65550355      8.91163245     -7.06643960
  H     21.74343638     10.43698617     -9.53845525
  H     16.59205597      8.72692903     -7.84798380
  O     17.10151499      6.00231546    -12.99474727
  H     17.64744375      6.29157607     -9.95556772
  H     16.23363070      9.39358005     -9.21229227
  O     16.00979802      6.08871332     -9.23934459
  H     18.20274932      6.22714090    -11.37938329
  H     18.17579161     11.60958608     -9.44216029
  O     18.04542578      8.54098151    -13.91440962
  H     11.31780708      6.50568206    -10.95843514
  H     18.52401023     11.76079056     -7.95569257
  O     17.40998250     11.54587505     -6.44533082
  H     12.29827879      6.72487890     -9.78107384
  H     16.25278035      7.72403893     -5.68361573
  O     15.81097212      9.95758939    -14.60328183
  H     14.48828892     11.81262240     -8.25268919
  H     14.72682027      7.90848002     -5.82933735
  O     15.96892402      8.70928835     -8.58954927
  H     15.77101508     11.71216443     -9.10710509
  H     15.20263108      6.46165663    -10.80101081
  O     18.91258891     11.75979047     -8.83944903
  H     12.26921462      8.83722931    -10.58036002
  H     13.84756793      6.75374340    -11.47410181
  O     15.40411426      7.28847490     -5.52763671
  H     13.27763563      9.84042568    -11.15161619
  H     19.36228408      7.26571806     -8.87319888
  O     14.80010851      6.75392728    -11.63293099
  H     12.59380598     10.73963905     -9.12824066
  H     20.16464359      8.53967722     -8.55448646
  O     19.63063417      7.84403961     -8.15086313
  H     11.93147019     11.82104254     -8.24147029
  H     17.71044300      9.68298554     -6.33651509
  O     17.67165296      8.72233558     -6.42467161
  H     14.43208253      8.86868757     -7.64634464
  H     18.43923154      8.41985633     -6.93454721
          69
 Ord_Energy   -248.462601    
 O    1.15545201       5.34202051      0.110040791    
 H   0.619319797       4.81966591     -0.497474194    
 H    1.50790942       4.72621012      0.763730526    
 O   -3.22882056       3.41636586      -3.04142570    
 H   -3.34703255       3.33964634      -3.98426104    
 H   -3.32305765       2.51959562      -2.67144513    
 O    2.09334421       3.64813685       2.21760035    
 H    3.03077984       3.49369073       2.30049682    
 H    1.67368639       2.77663827       2.10230708    
 O   -4.74761152       4.34731102     -0.827972829    
 H   -4.81373024       3.49279833     -0.375194460    
 H   -4.33286381       4.16624451      -1.67991579    
 O   0.199804455       4.67089796       3.99694276    
 H   0.171165779       5.63451242       4.05257225    
 H   0.920297742       4.41336870       3.40642905    
 O   -2.74894238       6.42471552       5.26727152    
 H   -3.43731356       6.39893007       4.58792496    
 H   -1.96857095       6.81328201       4.85551691    
 O   -4.80912685       3.00589681       4.24033928    
 H   -4.33651018       3.23364234       5.05252171    
 H   -4.20263195       2.48283386       3.70291877    
 O   -3.44238520       1.05438018      -1.72141314    
 H   -4.12401628       1.16987860      -1.04607153    
 H   -2.60718250       1.01158655      -1.23727810    
 O   -2.90695024       1.81944287       2.34441543    
 H   -2.58651543       2.73625851       2.39375210    
 H   -2.32349300       1.26790762       2.88226843    
 O   -1.05591035      0.496668488       3.93781710    
 H   -1.02820289     -0.313975126       4.43826675    
 H  -0.979694843       1.23149002       4.57471609    
 O   -4.99714518       1.90369809      0.493699700    
 H   -5.77786350       2.14164686       1.01375222    
 H   -4.28272200       1.77537286       1.13220525    
 O  -0.379100740       7.40027428       3.95488691    
 H  -0.417247117       7.42104912       2.98068571    
 H    6.80379719E-02   8.19693851       4.22739744    
 O   -2.53994417       5.79631615      0.155094475    
 H   -2.32854342       5.30360126      0.963879228    
 H   -3.35368586       5.40820599     -0.187457725    
 O   -2.13039589       4.39464998       2.48408842    
 H   -2.86301684       4.90177393       2.86099982    
 H   -1.33965242       4.53056288       3.02082300    
 O   -6.29335356       5.61759806       1.07389879    
 H   -5.81462526       5.24137735      0.317365587    
 H   -6.90215063       6.26126766      0.719385862    
 O  -0.433337241       7.30399227       1.26695704    
 H   0.234309286       6.72100163      0.875277102    
 H   -1.25437117       7.06239271      0.822796941    
 O  -0.993765116       4.02609396      -1.33226836    
 H   -1.44039595       4.72266579     -0.828519285    
 H   -1.58132255       3.84198666      -2.07422113    
 O  -0.931672573       2.64779735       5.52944183    
 H  -0.450628817       3.36111498       5.08629608    
 H   -1.71530497       3.05600333       5.91480350    
 O   -6.86618423       2.99307561       2.21306610    
 H   -6.35706425       2.95869374       3.03263187    
 H   -6.83433390       3.91031718       1.91567159    
 O   -3.27082586       4.00694799       6.39664841    
 H   -3.03868389       4.89032507       6.05806255    
 H   -3.53653741       4.12374544       7.30537224    
 O   -4.51570415       5.61860180       3.27603936    
 H   -4.75380850       4.75094080       3.63396716    
 H   -5.09373188       5.77103186       2.51986980    
 O   0.809131503       1.29505110       1.91383755    
 H   0.276313722      0.942360461       2.63585329    
 H   0.239210218       1.28241205       1.13337290    
 O   -1.21105707       1.55884337      -2.11983602E-02
 H   -1.80065989       1.67677879      0.732824981    
 H   -1.08658671       2.42906642     -0.428998649    
          69
 Energy    -248.46255325187340     
  O     -5.88181613     -0.48317803      0.11806969
  H     -6.18731951     -1.23435184     -0.38532052
  H     -0.41789742      0.93362324      0.14161505
  O     -3.07618151      3.98922769      5.35096794
  H     -4.99980001     -0.72047591      0.44804971
  H     -4.57559624      5.83080018      1.75127753
  O     -6.76731551      4.54677368     -0.32766380
  H     -3.56463863      3.34491451      5.87763738
  H     -5.33267577      5.60401883      0.42360414
  O     -1.78500087      0.31451086     -1.01286896
  H     -2.26233032      3.54899086      5.07940596
  H     -4.03521499     -0.03582994      2.50081674
  O     -4.14184217      2.83786416      1.96601470
  H     -7.21127851      4.76254398     -1.14406893
  H     -3.88928528      0.39067681      3.99087706
  O     -4.73071731      5.09519459      3.46001820
  H     -6.29019142      3.71245075     -0.47814554
  H     -7.11364584      1.61184670      4.44137722
  O     -5.32404504      2.24280139     -0.41006165
  H     -2.12103148      1.19879160     -1.24492982
  H     -7.04536741      3.02998577      5.03466551
  O     -4.55379698      1.91492153      6.70022249
  H     -1.54758202     -0.11107229     -1.83280009
  H     -1.51758463      4.20154541      1.04865419
  O     -2.82869661      2.74459182     -1.58310581
  H     -4.41962742      3.60685428      2.48139047
  H     -2.40351049      3.17485719      1.76113100
  O     -3.27356838     -0.86534419      1.07360353
  H     -4.24649905      2.05041589      2.51555371
  H     -7.65457196      4.38021776      3.53557691
  O     -7.06749802      0.86925014      2.52833333
  H     -4.11015117      4.82165624      4.15317558
  H     -8.05370608      5.37221846      4.65924321
  O      0.12635202      1.38475382      0.79629158
  H     -5.61766296      5.07008157      3.83874544
  H     -2.06680810      1.10820380      4.95534321
  O     -4.53180776      5.98871094      0.79804486
  H     -5.58644332      1.31776149     -0.34849164
  H     -3.25741608      0.83344209      5.91189773
  O     -4.47126709      0.43735688      3.22268940
  H     -4.90026409      2.47012931      0.43557697
  H     -0.26577978      1.74268270      4.02177348
  O     -6.83271475      2.10519263      5.21803921
  H     -4.81613712      1.92637135      7.61711613
  H     -1.10166873      2.86296412      3.38272447
  O     -1.48709762      3.48266582      1.68986278
  H     -5.37396380      1.93410625      6.17669971
  H     -7.59471363      3.89369869      1.24380446
  O     -7.37416028      4.76097518      4.38950761
  H     -3.74461687      2.61049108     -1.30373819
  H     -7.64579411      2.62080690      2.13841406
  O     -2.65563647      0.41261950      5.28392768
  H     -2.56311670      3.60382546     -1.23524606
  H     -0.71960315     -0.83833439      3.15924352
  O     -0.95565744      2.39031826      4.21481872
  H     -2.75691139     -0.45565443      0.36760883
  H     -1.97176328     -0.94256929      4.02502472
  O     -7.93436717      3.54106340      2.07412060
  H     -2.64464358     -1.14507674      1.75763567
  H      1.69567751      0.16695927      3.27506383
  O     -1.57927646     -1.27498119      3.20851244
  H     -7.05240878      0.36444513      1.71088563
  H      0.61985321      0.69803092      2.29505551
  O      0.76570156      0.36073567      3.19840735
  H     -6.17890556      0.72358355      2.89216084
  H     -1.78243676      6.04541679     -0.75631790
  O     -2.18079160      5.27523070     -0.36017345
  H     -0.38106501      2.16756950      1.05442953
  H     -3.01780688      5.56976732      0.04172174
          69
 Energy    -248.46227337546406     
  O     17.19008949      9.78962326     -9.86709179
  H     16.44070987      9.73721572    -10.47593520
  H     12.21784185      8.30681634     -6.18619086
  O     13.57673191      5.41840565     -6.42007835
  H     17.77816795      9.05529701    -10.10008627
  H     17.05463124      2.74618366    -11.32700675
  O     11.37349709      7.01900373     -7.25601118
  H     13.95170184      5.93309977     -5.69501842
  H     16.83101230      4.15835599    -11.88986043
  O     15.02692504      9.20038035    -11.48998367
  H     12.76646183      5.87715896     -6.67914790
  H     15.28117849      7.00868923     -8.33281845
  O     18.80212153      7.62901770    -10.49824569
  H     11.58169047      7.28168267     -8.17000078
  H     14.64164985      5.68799993     -7.82982403
  O     20.65274272      8.50972939     -8.55013269
  H     10.45017445      6.78102727     -7.24519170
  H     18.21650363     10.81854136     -4.61290376
  O     17.77747440      5.42193461     -9.17363315
  H     14.75097027      8.28504625    -11.33277929
  H     17.53607018      9.70914227     -5.44733283
  O     11.99226685      7.79474085     -9.78102949
  H     14.30182088      9.74861153    -11.16629676
  H     16.48073591      8.34422341    -12.51188773
  O     15.77543602     12.20392091     -6.69366927
  H     18.43780133      6.83951583    -10.07026765
  H     17.81402039      7.67392010    -12.10258421
  O     12.87128199     10.50131955    -10.18568844
  H     19.56935886      7.89021735     -9.97483717
  H     14.85959200      9.32860343     -7.79294871
  O     13.63970913     10.69456113     -7.58633949
  H     21.58161324      8.72409213     -8.54365932
  H     16.18445897      9.09474859     -8.57276389
  O     12.76532378      8.94259978     -5.70618077
  H     20.17304746      9.32699130     -8.32730584
  H     18.67457507     10.70917837     -7.13223501
  O     17.35625354      3.64895451    -11.25512480
  H     17.74306560      4.72403555     -9.84121250
  H     18.37980175     10.54599127     -8.64568611
  O     15.18114640      6.06721440     -8.53691402
  H     16.86201532      5.58756913     -8.90456819
  H     14.85009219      6.99666486     -3.54466383
  O     17.77371624     10.65135559     -5.44122842
  H     12.19300573      8.72182077     -9.95274983
  H     15.58707263      7.45034288     -4.82272962
  O     17.12303110      7.67581316    -12.77893145
  H     12.63523912      7.28510882    -10.29115926
  H     14.53608363      6.28186304    -10.17865617
  O     15.58784284      8.70934313     -7.91685803
  H     16.27322984     12.83823480     -7.20636071
  H     14.63389455      6.02607465    -11.70947771
  O     19.09021655     10.67413612     -8.00105479
  H     16.43450770     11.68894856     -6.20678411
  H     18.66916169      6.11534781     -7.67222226
  O     14.71696263      7.21063354     -4.46504271
  H     12.29924572     11.22895924    -10.41589932
  H     19.67515380      7.25650126     -7.43809901
  O     14.18512524      6.55406681    -11.04098615
  H     13.12296523     10.62695226     -9.25381551
  H     16.49921791      8.26856817     -6.49172919
  O     19.04249693      6.68599944     -6.98648479
  H     13.25915347     10.18370204     -6.85462026
  H     17.77659417      7.49988010     -6.05291385
  O     17.03667782      8.02937226     -5.71939835
  H     14.31204749     11.29401118     -7.23316774
  H     16.36037703      6.13058359    -12.97454149
  O     15.85740331      5.29557131    -12.98837354
  H     13.40688631      8.41914747     -5.21237236
  H     15.60889421      5.14263123    -13.89633513
          69
 Energy    -248.46221054850844     
  O     19.98628305      9.62693217     -7.35677273
  H     20.28756976     10.22583150     -6.67880403
  H     19.62758760      7.77245570     -6.93880929
  O     17.85450547      5.04100874     -9.92077890
  H     20.57681217      9.74785067     -8.12251071
  H     18.48385184      9.69388326     -8.40703097
  O     17.22329978      4.92569438    -13.42464518
  H     17.04170127      4.95227727    -10.43037453
  H     17.02702677      9.20007053     -8.69255218
  O     17.99259616      7.63246806    -13.31608711
  H     18.24223203      5.89815596    -10.15447101
  H     21.67842756      8.95401317     -9.86801207
  O     22.06527223      6.38002694    -13.04850402
  H     16.54715653      4.84913031    -12.73224554
  H     21.16841452     10.30718577    -10.39283671
  O     15.42490489      5.01755675    -11.32856452
  H     16.96629184      4.32551200    -14.12117775
  H     15.47994324     10.06506011    -13.53000380
  O     20.55468604      8.71080643    -13.63465831
  H     17.68951318      6.72642363    -13.45553898
  H     16.57289925     10.06593364    -12.43086304
  O     21.54801376      5.52266266     -8.22821290
  H     17.22347652      8.21528032    -13.30226831
  H     19.15269627      4.63127550    -12.89596960
  O     14.53086933      4.71887037     -8.72164263
  H     22.78852601      5.96680484    -13.51124729
  H     20.19995024      4.20352941    -11.83504364
  O     21.56931683      7.19031482    -10.40759181
  H     21.35403584      5.71479910    -12.98731135
  H     14.71895006      7.95612677     -8.20196157
  O     18.83611471      7.51554874    -10.64062123
  H     15.23320505      5.96655536    -11.34289939
  H     16.11042175      7.31433115     -7.95878225
  O     19.40927081      6.84338617     -6.80390082
  H     15.05327703      4.69771752    -10.49306056
  H     15.36587044      7.91070787    -10.17063408
  O     17.80021015      9.62766636     -9.08578007
  H     21.14470816      7.95806114    -13.50852820
  H     15.18263367      8.38294480    -11.64668211
  O     21.47845753      9.86027807     -9.59615874
  H     19.66109070      8.34315211    -13.66531878
  H     20.59140505     10.13802634    -12.65441930
  O     15.92843423      9.50488615    -12.90279281
  H     22.41922474      5.41667250     -7.85325112
  H     21.00921019     11.62191432    -12.54129753
  O     20.09597164      4.58675183    -12.72007526
  H     21.64286671      6.12233779     -8.98750555
  H     17.73134314      6.16766056     -7.03634061
  O     15.66412531      8.10665494     -8.29834535
  H     15.24412615      4.94737315     -8.11305956
  H     17.25131467      5.44043448     -8.29144732
  O     14.89358782      7.73198289    -10.99621027
  H     13.90331063      5.45019650     -8.67590667
  H     13.46405148      7.38752340     -9.82752376
  O     20.54647210     10.92541329    -12.08236580
  H     21.88833865      6.91440272    -11.27477572
  H     12.11482327      7.46191586     -9.08122328
  O     16.93121485      5.82508942     -7.46138804
  H     20.60799122      7.29473781    -10.49155522
  H     18.69448554     10.97917237    -11.75882791
  O     13.02431347      7.19063950     -8.98471003
  H     18.57259843      7.62923792    -11.56297968
  H     17.73678894     10.57677703    -10.61869222
  O     17.76062108     10.89144234    -11.53401693
  H     18.50235602      8.26487478    -10.13209660
  H     20.77593622      4.15878934     -9.42247468
  O     20.26219472      3.70522382    -10.09906961
  H     20.11694856      6.34029683     -7.22525302
  H     19.35400604      4.01552040     -9.96504208
          69
 Energy    -248.46205770360342     
  O     11.95005715     10.33508598    -15.38334023
  H     12.45353206      9.70507027    -15.91817874
  H     16.50870042     11.18191504    -16.41511650
  O     16.23627980      6.67622294    -13.20030977
  H     12.48377833     11.13672913    -15.34439897
  H     15.55686476      8.14975111    -14.03387231
  O     16.90327261     10.86017550    -11.46209192
  H     16.93009910      7.15065731    -12.71962367
  H     14.68729991      8.78971012    -15.16809653
  O     17.63593554      9.91476723    -15.56253647
  H     15.48211842      6.60320442    -12.59923769
  H     11.29081105      9.45146484    -14.05633215
  O     13.38904761      5.75952410    -16.14083628
  H     16.71084256     10.90454479    -10.51750911
  H     10.03040693      9.01187380    -13.27312511
  O     13.87318295      9.21842452     -8.77773942
  H     16.09180448     11.08938170    -11.93375439
  H     16.56434134      7.39624929     -9.01653069
  O     14.04407198      6.82548215    -11.52501202
  H     17.81714483      9.21752244    -16.20232791
  H     17.67122307      7.91862675     -9.97055065
  O     14.57337687     11.14465275    -12.95389474
  H     16.83828832      9.62524492    -15.09323621
  H     12.91639046      6.39664552    -12.94808587
  O     17.58402913      7.72967978    -17.44092123
  H     12.89589450      5.02562697    -16.49677123
  H     11.82118911      7.22060247    -13.64797126
  O     14.78236931      6.66523674     -8.82825786
  H     13.01309521      5.94887611    -15.26101204
  H     18.79424833     10.24442908    -14.08824497
  O     16.22762279      5.99630572    -15.88764077
  H     13.47117576      9.38926395     -9.64055034
  H     18.58865562     10.73264226    -12.64807751
  O     15.74606472     11.53292487    -16.89430233
  H     14.64966157      9.78901753     -8.71793366
  H     18.67846700      8.68498879    -12.31807694
  O     15.27907017      8.98463815    -14.43120843
  H     13.74075567      7.74493553    -11.51099180
  H     17.40263179      9.08708211    -11.62570860
  O     10.97566565      8.89654299    -13.31995397
  H     14.28024502      6.60398617    -10.61622857
  H     16.84404009     10.95490720     -7.96303558
  O     17.33079864      7.98011997     -9.06822675
  H     14.28104268     11.78590773    -13.61018627
  H     16.81046904      9.62449209     -8.75310603
  O     12.36771104      6.43112446    -13.74229466
  H     14.81957425     10.35211005    -13.46059235
  H     15.55648097      9.12862386    -19.54774397
  O     19.23103427     10.30522322    -13.22829087
  H     18.37408545      7.29473408    -17.75035186
  H     16.27481037      8.67507003    -18.25611617
  O     17.95250780      8.30849673    -11.80474145
  H     17.11056499      7.08550115    -16.88241555
  H     13.51778765     10.11323640    -11.89770157
  O     16.41862225     10.51523916     -8.69449169
  H     14.40666083      7.55899910     -8.72088016
  H     12.21852786      9.27826773    -11.98676940
  O     15.51563247      9.17664059    -18.59573837
  H     14.49568270      6.15231295     -8.07760953
  H     14.48522041     12.21408820    -15.87459047
  O     12.99923939      9.43620030    -11.44133316
  H     15.29129881      5.81248323    -16.02582740
  H     13.64704321     13.45641754    -15.50039706
  O     13.78530198     12.53885035    -15.28095275
  H     16.33424383      6.10633273    -14.93184369
  H     13.48861466      7.53713858    -16.60320177
  O     13.60794561      8.49459903    -16.65192644
  H     15.57288740     10.88011282    -17.58062314
  H     14.18774287      8.68854520    -17.39852884
          69
 Ord_Energy   -248.462036    
 O   -3.02486897       7.77434349       8.81884480    
 H   -2.65064144       8.38255501       9.44962788    
 H   -3.98199224       7.72805309       9.00258923    
 O   -5.68815327       7.43209696       9.11048698    
 H   -5.80610704       6.50011158       9.33652306    
 H   -6.08177328       7.55580902       8.23605061    
 O   -3.78818440       1.59703195       5.02715206    
 H   -3.32316160       2.20890498       5.61007166    
 H   -4.62630796       1.38320518       5.45615911    
 O   -7.04031801       9.00618935       4.02080488    
 H   -6.08216572       9.11130905       3.87541485    
 H   -7.42652178       9.87392426       3.93297362    
 O   -4.35739326       9.17246723       3.77689075    
 H   -3.83954763       8.90530968       3.00843167    
 H   -3.95506954       8.75474930       4.54939127    
 O   -3.65041637       4.11077356      0.658273935    
 H   -3.48348689       3.57577705     -0.113174409    
 H   -4.00691462       3.51472044       1.33980536    
 O   -8.89260006       4.55244827       3.33626676    
 H   -9.82588482       4.56889009       3.14161110    
 H   -8.50914860       5.34660959       2.92256880    
 O   -3.02878857       8.22674847       1.46574116    
 H   -2.50965929       7.42939758       1.67625785    
 H   -2.51395917       8.73704720      0.846805632    
 O   -5.20169115       6.43261051       1.22307551    
 H   -4.54748535       7.14308548       1.22321928    
 H   -4.74934721       5.64635181      0.890645683    
 O   -3.06841636       4.90435743       8.68876839    
 H   -2.92017102       5.85474586       8.75129414    
 H   -3.94409204       4.74860096       9.06508636    
 O   -6.46506023       1.05363417       5.90547228    
 H   -6.85684967       1.41244054       5.08944082    
 H   -6.79566526      0.163543329       5.99500418    
 O   -4.73564482       2.75172186       2.74346948    
 H   -4.93378305       3.61379194       3.14063716    
 H   -4.30511522       2.23870754       3.44371414    
 O   -7.37749004       2.09967184       3.55100393    
 H   -6.53669453       2.25409698       3.10058284    
 H   -7.90734005       2.89478850       3.42250681    
 O   -6.70355129       3.32256484       7.57212067    
 H   -6.60853863       2.47702861       7.12032223    
 H   -6.93006277       3.95966005       6.88006401    
 O   -2.23179340       3.46000242       6.57014704    
 H   -1.39350653       3.07649064       6.81745958    
 H   -2.55555630       3.94275570       7.35130262    
 O   -5.70954847       4.64197731       9.67500210    
 H   -6.08786154       4.13226938       8.93503475    
 H   -6.02360058       4.23423052       10.4772406    
 O   -5.09159946       5.26500559       3.80928922    
 H   -5.18322992       5.79483223       3.00840855    
 H   -4.18833351       5.37321091       4.13680267    
 O   -7.21726084       5.10273600       5.51544523    
 H   -6.42955303       5.13114405       4.94879484    
 H   -7.95279694       4.90977764       4.92344332    
 O   -7.75782537       6.80421829       2.31954288    
 H   -7.58571672       7.54925871       2.90836430    
 H   -6.96242285       6.70351124       1.78025520    
 O   -3.65414166       7.70720005       6.08976173    
 H   -4.61105347       7.59627390       6.18724203    
 H   -3.30568242       7.83055115       6.98103333    
 O   -2.51887918       5.57335711       4.75140619    
 H   -2.81080198       6.33612537       5.27205133    
 H   -2.36280489       4.83906746       5.35862398    
 O   -6.46001625       7.58417845       6.40452194    
 H   -6.79929209       6.70390272       6.18620872    
 H   -6.74574137       8.15986824       5.68546104    
 O   -1.83632278       5.88054705       2.06161380    
 H   -2.33083916       5.19248199       1.60093367    
 H   -1.95467007       5.72389603       3.00953388    
          69
 Energy    -248.46191195105368     
  O     11.76442114      9.89274569    -13.94001713
  H     12.21755712     10.73105243    -13.79371552
  H     14.81990587      5.70575867    -16.11424651
  O     16.41363113      6.13839444    -13.42556467
  H     12.28398137      9.43495909    -14.61523483
  H     19.35738145      7.36148565    -12.43011654
  O     16.86081017     10.28553822    -10.11029245
  H     17.24505042      5.97380820    -12.96743303
  H     19.53754324      8.17249487    -13.74735535
  O     17.66849419     10.61891869    -14.37311851
  H     15.71064025      5.98783779    -12.77725106
  H     15.24600591     11.32254367    -16.22694394
  O     12.92996255      5.82811366    -15.80606945
  H     16.09488271     10.44250986    -10.67995991
  H     16.23973724     11.57339562    -15.08013995
  O     15.83580123      8.01535778     -8.95702464
  H     17.63357732     10.43001393    -10.66703479
  H     15.98795714      7.87761584    -13.71197836
  O     14.58365940      5.82854698    -11.36617646
  H     18.26591209     10.04355144    -14.86853118
  H     16.34233502      9.35427979    -14.08831412
  O     14.64508950     10.34804035    -11.83147337
  H     18.08387372     10.77437703    -13.51495438
  H     11.30971874      8.73238497    -12.73293856
  O     17.07842070      8.05610757    -17.05662817
  H     12.73015982      5.73686236    -14.85687373
  H     10.17645442      8.13004798    -11.86945589
  O     16.85626625      5.63908491     -9.59647320
  H     12.29092022      5.29650790    -16.27249645
  H     13.11899771      5.58951786    -12.53379731
  O     19.23525316      8.61214726    -15.58017354
  H     16.29096653      8.81430868     -9.26506420
  H     11.88907632      6.47818556    -12.81078272
  O     15.77903293      5.79703421    -16.13641496
  H     14.92518449      8.09793517     -9.26282045
  H     19.32414317      9.75498633    -12.15534168
  O     19.69406909      8.18757618    -12.79417621
  H     15.26386050      5.59525173    -10.72538690
  H     19.82655907     11.13232056    -11.65673908
  O     15.39298486     11.86580240    -15.44361710
  H     14.21810559      6.67911388    -11.07730401
  H     18.06256164      5.73754997    -10.94488441
  O     15.61969917      8.75961178    -13.84925646
  H     14.97779779      9.74860109    -12.51739506
  H     19.18287280      4.97373638    -11.68528583
  O     11.10174842      8.03937912    -12.08037214
  H     14.20405684     11.06729675    -12.29651555
  H     14.25342836      8.59895465    -15.01056743
  O     12.40070482      5.73811518    -13.16116393
  H     16.60866963      7.24308445    -16.81642790
  H     13.29370458      7.62818121    -15.77020835
  O     19.04206172     10.65715501    -11.91785134
  H     16.41045364      8.71093461    -17.28278866
  H     13.83674567      9.02222246    -10.92339423
  O     18.63246713      5.75251848    -11.73070670
  H     16.54714349      6.52629692     -9.33020795
  H     12.56598136      8.15166102    -10.90841096
  O     13.52552112      8.55739441    -15.65089915
  H     16.87732444      5.11032863     -8.80344343
  H     14.12016770     12.10486134    -14.27414851
  O     13.44731731      8.22983350    -10.52406927
  H     19.98301480      8.67403918    -16.16874123
  H     13.23163677     13.11751187    -13.51690558
  O     13.43481996     12.18877819    -13.58692718
  H     18.47228774      8.35714136    -16.13131160
  H     14.34397191      9.45191391    -16.92851794
  O     14.93441316      9.95158684    -17.51917466
  H     16.05625640      5.80188011    -15.20981008
  H     14.47512583     10.04874523    -18.34958682
          69
 Energy    -248.46188312582203     
  O     18.54104469     11.39946384    -18.38249030
  H     17.59422757     11.55563732    -18.22489500
  H     17.35401129      5.72984601    -15.62464441
  O     15.49859571      6.13353417    -13.19835321
  H     18.78326458     11.92621768    -19.13983654
  H     16.66968628      6.03265672    -11.91169499
  O     18.08560935     12.45042593    -11.77979572
  H     15.70950462      5.93590361    -14.11866012
  H     17.11491637      5.35591159    -10.59444413
  O     21.40079342      8.53500579    -12.39343982
  H     15.01709553      6.96933531    -13.18578731
  H     21.39862313      8.66250746    -15.67815889
  O     16.22299909      7.75892324    -17.52282500
  H     18.08800299     12.81154159    -12.67267193
  H     21.01581097     10.08634318    -15.24071469
  O     13.95585131     11.64286340    -12.82274001
  H     18.48693298     11.57330391    -11.86142969
  H     18.37906226      8.10292492    -14.88308342
  O     14.60780374      8.83923135    -12.88177828
  H     22.25330934      8.63212818    -11.97803033
  H     17.19212686      9.10908289    -14.95561540
  O     18.07561433     13.19258643    -14.55294999
  H     21.50792391      8.81075179    -13.32159957
  H     15.26408739     11.07199701    -18.06819677
  O     19.76489994      6.19341159    -12.66107840
  H     16.20595034      6.90311064    -17.07786011
  H     15.66902180     12.04758776    -16.95266767
  O     15.47957918      9.42405056    -15.42578121
  H     15.87370898      8.37973204    -16.86860182
  H     17.46163168      9.20740848    -11.31464230
  O     18.92905504      6.36205516    -15.22478157
  H     13.13845876     12.04226535    -12.53731821
  H     16.83493431      7.88445071    -10.84945346
  O     16.43491220      5.47106098    -15.81713168
  H     14.56085081     11.66357553    -12.05745957
  H     16.51032397     11.96006008    -11.04720380
  O     17.30756240      6.08644162    -11.17676184
  H     14.20491572      9.71440051    -12.83652409
  H     15.93330717     10.60267396    -10.59730631
  O     21.55669370      9.32619412    -14.99471478
  H     15.31377523      8.83735376    -12.21743687
  H     19.80971268      9.44463077    -12.09206516
  O     18.11242638      9.00803629    -14.68311756
  H     18.44939634     14.03333010    -14.80638668
  H     18.60398432      9.53810222    -13.05237171
  O     15.88222457     11.77055724    -17.85617562
  H     18.64542528     12.50532683    -14.93659434
  H     21.40608326      6.99204447    -17.61489435
  O     16.64668537      8.82411480    -10.95722958
  H     20.32455081      6.94963083    -12.44720870
  H     20.10974252      7.83120185    -17.49161374
  O     15.68945997     11.51740829    -10.78114632
  H     19.00358170      6.21482988    -12.06809500
  H     14.94854564     12.11870778    -14.33334835
  O     18.92175245      9.80954949    -12.17793807
  H     15.11533080      9.12284890    -14.58179885
  H     16.34858377     12.58249622    -14.84782411
  O     20.83193491      7.41614594    -16.98318663
  H     15.49853720     10.38893357    -15.38703651
  H     19.01114948     10.36442732    -15.42431425
  O     15.50299430     12.20177743    -15.12039413
  H     19.28047843      6.21755975    -14.33172585
  H     19.26228397     11.24503577    -16.68155277
  O     19.48081305     11.15071579    -15.74554978
  H     19.65634065      6.59850603    -15.81250575
  H     18.70807475      9.49509838    -18.41791034
  O     18.77275050      8.54436706    -18.28214279
  H     16.45747291      4.55400673    -16.07976903
  H     17.87852586      8.23742040    -18.07070089
          69
 Energy    -248.46186606372555     
  O     14.96447404      3.10076732    -10.31443133
  H     14.13079705      3.57361034    -10.45478641
  H     13.59045509      7.98108415    -13.94829654
  O     12.55931412      4.44450492    -10.78710298
  H     14.77279096      2.16542928    -10.45603387
  H     15.31399671      8.66627448     -8.04626707
  O     16.42716136      3.32835248    -12.69627923
  H     12.64872072      5.05169675    -11.53312291
  H     15.84339378     10.01802408     -7.50562920
  O     16.46805959      6.89992955    -13.76277070
  H     12.31424581      4.98188286    -10.02379912
  H     15.53243783      6.44613664    -10.55291989
  O     11.85585405      8.05534816    -10.88273001
  H     15.98978043      3.29701927    -11.83587479
  H     14.98693924      7.84946126    -10.98993902
  O     12.13405348      2.12697699    -12.36003514
  H     17.22566054      3.86769379    -12.60915796
  H     13.65572401      6.87623699     -8.05665890
  O     14.22648425      0.52662579    -11.21422552
  H     16.10861714      6.93220229    -12.85877947
  H     15.13403233      6.44803952     -8.15222952
  O     17.48266112      9.35607225    -12.53495703
  H     16.00846742      6.17157572    -14.20009419
  H     12.46632860      2.14969200    -15.53653925
  O     17.99300243      8.61723720     -9.89162108
  H     12.60770522      8.65764141    -10.77948301
  H     12.68919679      2.34905632    -14.01928886
  O     13.08565421      6.31733255    -12.84606737
  H     12.02663810      7.54755555    -11.68347178
  H     11.84716700      7.00531047     -9.48766365
  O     15.04662717     10.82470290    -12.94290452
  H     12.10644617      2.89968032    -11.78193635
  H     11.16305598      6.38365757     -8.24596269
  O     14.22821393      8.61106321    -14.29851100
  H     12.71408433      1.49378838    -11.91888355
  H     18.62205004      5.49472425    -11.61578489
  O     15.74708473      9.50208929     -8.30130141
  H     14.29230618     -0.38105945    -10.93116456
  H     18.00765456      5.85714374    -12.98973204
  O     15.22792818      6.96837052    -11.30383349
  H     14.64388309      0.57965878    -12.09317582
  H     14.16513911      3.99739165    -14.75631494
  O     14.54834421      7.13462640     -7.80173289
  H     17.33200639      8.60381972    -13.11713936
  H     15.33208909      4.22544116    -13.78431889
  O     13.10622396      2.44483998    -14.89423042
  H     16.75104201      9.96378435    -12.69741866
  H     15.86029267      1.72904224    -13.42666776
  O     11.95234734      6.34367182     -8.78039242
  H     17.84792606      8.93833376    -10.79357342
  H     14.61094211      1.35454187    -14.24168552
  O     18.44825129      5.15291038    -12.50204321
  H     17.28645833      8.97368311     -9.34328595
  H     17.08950298      5.44610369     -9.35300858
  O     14.72920735      4.68828263    -14.38739906
  H     13.79833070      6.57191299    -12.23424440
  H     15.85741329      4.47440850     -9.48190984
  O     15.29361656      0.98224845    -13.67141953
  H     13.50873006      5.72876894    -13.48725934
  H     18.53759188      6.99869709     -9.82874437
  O     16.14019055      5.35416596     -9.19975561
  H     14.67756507     10.10895752    -13.49070626
  H     19.60870418      5.97629777     -9.37227999
  O     18.77185926      6.05178179     -9.82254087
  H     14.87787443     11.64216352    -13.40344532
  H     14.52906472     10.08850571    -11.32431929
  O     14.22782575      9.50050014    -10.62033726
  H     15.05862875      8.11866286    -14.32891217
  H     14.73334195      9.68766029     -9.81863658
          69
 Energy    -248.46154250902958     
  O     11.49463460      8.87082568    -15.67341905
  H     11.23816983      8.52294371    -14.81067862
  H     16.73286697      6.13325565    -14.72486554
  O     16.57837629      7.17731860    -13.16942866
  H     11.69158924      9.80864487    -15.55860793
  H     18.96017118      9.03591463    -13.45770120
  O     15.23379907     11.44744974    -11.09494544
  H     17.33029275      7.70522052    -12.88019589
  H     18.27441848      9.90163572    -12.38194289
  O     16.96318007     11.02353151    -15.00342915
  H     16.01176526      7.78498660    -13.67293201
  H     15.58730816     11.52045102    -16.18405616
  O     13.91447629      5.11069937    -15.85656794
  H     14.56509364     11.27839668    -11.77132226
  H     14.98691112     10.78194907    -17.38966724
  O     14.35062541      9.61104558     -9.20013714
  H     14.99856049     10.88879583    -10.34166131
  H     15.70809531      9.63543197    -14.84550621
  O     14.57713371      6.60461618    -11.38277897
  H     17.76532001     10.53390662    -15.22459521
  H     14.65317713      8.57107756    -15.31962621
  O     13.43752183     10.56287363    -13.04941535
  H     17.09500891     11.34782565    -14.10311247
  H      9.97839819      7.48705550    -12.80903583
  O     17.64485634      8.02146905    -16.96986252
  H     13.56902371      4.28057873    -16.17308236
  H     11.38019652      8.00946494    -12.42381223
  O     16.01693583      7.25820103     -9.03928413
  H     13.54506915      5.24661563    -14.96526118
  H     18.63547174      8.20641903    -10.91967525
  O     19.23670477      9.34365411    -15.29380753
  H     13.60776415      9.28916883     -9.72538434
  H     19.36030514      7.29031923     -9.92886149
  O     16.67976164      5.81065832    -15.63457387
  H     14.93614021      8.85367429     -9.08216544
  H     13.43664584      5.81621513    -12.65972205
  O     18.64171740      9.02161176    -12.54584709
  H     15.29936200      6.74798129    -12.01334227
  H     12.13413920      6.22960537    -13.38117145
  O     14.80513809     11.48150882    -16.75019655
  H     14.97980649      6.68613370    -10.51053249
  H     18.04268482     12.37981742    -11.99328457
  O     15.08027541      8.96346897    -14.54822915
  H     14.01912811      9.94646773    -13.52134370
  H     16.73953812     11.56236995    -11.82708777
  O     10.85397203      7.64349151    -13.15451559
  H     12.97865942     11.05593473    -13.73811465
  H     15.19933074      9.01688424    -19.26461308
  O     18.52902730      7.73500625    -10.07953319
  H     17.30430628      7.19899905    -16.58557470
  H     14.74039189      8.62261531    -17.84079061
  O     12.87613875      5.61496110    -13.42000754
  H     16.93449486      8.41236621    -17.48813462
  H     12.87280794      9.34713736    -11.85391165
  O     17.58279731     11.60955794    -12.31509388
  H     16.14275825      6.83943110     -8.19121436
  H     13.30780973      7.93529660    -11.34182623
  O     15.37367849      9.16971507    -18.33927562
  H     16.90290029      7.44000500     -9.39448739
  H     11.94569869     12.37819417    -15.72796403
  O     12.61039532      8.60577640    -11.28644295
  H     20.07384708      9.50457069    -15.72028418
  H     13.24628415     11.57053540    -15.93474347
  O     12.40337989     11.59023981    -15.44742672
  H     18.70608181      8.81035444    -15.91556854
  H     12.87659997      8.11012510    -16.42021025
  O     13.73323262      7.76461058    -16.71712747
  H     15.78425001      5.46941977    -15.73864229
  H     13.77156048      6.82451025    -16.50398724
          69
 Energy    -248.46136936854774     
  O      1.48768367     -0.34179738      4.97106071
  H      0.66485229     -0.85269429      5.06950141
  H     -5.09664930     -0.82352941      4.09223323
  O      1.23156995      0.04310241     -2.97678970
  H      2.02179929     -0.53520835      5.73776685
  H     -3.18786761      3.04969294      0.60384098
  O     -0.96865292     -1.51025499      5.26130065
  H      1.31035946     -0.90703405     -2.82102805
  H     -2.12365790      3.42433093      1.65776570
  O     -0.86933891      0.59902011     -1.11560338
  H      0.42295612      0.31280723     -2.52287613
  H     -0.23771599      2.69355903      3.05984357
  O      1.51950653     -2.63814573     -2.00952659
  H     -1.55204922     -0.74862691      5.35765215
  H      0.24821688      2.48581320      1.58449671
  O      3.22129289     -1.47833823     -0.22714846
  H     -1.43593115     -2.11863197      4.67625058
  H     -2.36387205      1.55186104     -1.11291765
  O     -4.27897799      2.75870771      3.78527623
  H     -1.00289211     -0.35374870     -1.00411471
  H     -3.43226857      2.34452134     -1.89956088
  O     -2.65640272     -2.93243696      3.35680215
  H     -0.17153136      0.86647305     -0.50236667
  H     -2.14028104      0.40189700      3.21801125
  O     -0.11498305      2.03211073      4.74855864
  H      1.91408519     -3.41689184     -2.39288122
  H     -1.39873711      1.24399857      2.15478800
  O      3.20299418      1.12969471     -1.44950127
  H      2.14858905     -2.30162738     -1.34648839
  H     -0.17504098     -2.44794147     -1.23137673
  O     -5.65607838      0.37116026      2.97463616
  H      2.93333139     -1.32452737      0.68204111
  H     -0.72285660     -2.16559739      0.19004549
  O     -4.63215981     -1.37855506      4.74550196
  H      3.39346801     -0.60576462     -0.60205616
  H      2.00961706     -0.57878503      3.16575006
  O     -3.07311336      3.45946610      1.46841626
  H     -4.65410279      3.55074243      4.16128040
  H      1.18700770     -1.32161847      2.10372781
  O     -0.46179403      2.84974225      2.13003296
  H     -3.87508995      3.01892306      2.93780634
  H     -3.27381573      1.48753107      4.65280445
  O     -3.21399936      2.01757154     -1.03062017
  H     -3.37214697     -2.50901873      3.84564715
  H     -3.43980400     -0.00348174      5.02572463
  O     -1.83959000      0.39778074      2.30178883
  H     -2.97054102     -2.98491010      2.43940565
  H      1.97765554      1.43441910     -0.07658579
  O     -0.96186702     -2.16473482     -0.74961066
  H      0.50867610      1.30094620      4.84464616
  H      1.53462507      0.64866426      1.18357460
  O      1.98696763     -0.78603617      2.22468167
  H     -0.96739590      1.68960925      5.03547981
  H     -1.04850834     -2.52869915      2.43590350
  O     -2.78968757      0.71273621      4.97494756
  H      3.82486337      1.66468771     -1.93450808
  H     -0.88080900     -1.07040936      2.02933276
  O      1.27315627      1.35699879      0.57836990
  H      2.55170380      0.79651806     -2.09281784
  H     -3.80793326     -1.87822575      0.62408930
  O     -0.45800370     -1.94135993      1.95068426
  H     -5.26369643      0.20716305      2.10514960
  H     -2.69158195     -2.74428890      0.04261235
  O     -3.41247802     -2.75868067      0.68285038
  H     -5.35009295      1.24821820      3.23489248
  H     -4.00358587      0.62670138      0.00744272
  O     -4.08890465     -0.02180173      0.71468585
  H     -5.29812465     -1.75841085      5.31242853
  H     -3.30050709      0.10028396      1.26647108
          69
 Energy    -248.46081670113080     
  O     17.16643528     12.53210657    -15.90406341
  H     17.27419763     13.47004681    -15.77379984
  H     17.99774338     10.14857598    -18.43074089
  O     15.28440279      6.75790889    -13.92660742
  H     16.49101665     12.23439011    -15.26688816
  H     17.58143563      9.08276101    -15.24750034
  O     18.05201163      8.05564787    -11.88188497
  H     15.79906769      6.28466335    -13.26020163
  H     17.37569294      7.78307105    -16.04221725
  O     18.11151157      7.07962847    -17.63459081
  H     15.90010225      7.35666200    -14.37734923
  H     15.60643809     11.07528161    -13.42838946
  O     15.40326648      6.44894690    -18.27819807
  H     18.77886104      8.20877530    -12.50419248
  H     14.51964659     11.16794686    -14.52368001
  O     15.55368226      9.80202945     -9.27229922
  H     17.36153642      8.70665185    -12.05857457
  H     14.86575475      6.31043300     -9.94064699
  O     13.52491512      8.51832283    -12.86817414
  H     18.39262031      7.92470821    -18.01151270
  H     15.13402133      4.98886333     -9.18492139
  O     17.85265202      4.12996170    -14.38597863
  H     17.25722233      6.85426302    -18.02131157
  H     13.61640624      9.65508871    -15.91576301
  O     13.82021811      7.69508489    -10.18493403
  H     15.04251349      5.93689115    -18.99687226
  H     12.30982172     10.43132041    -15.63616350
  O     19.60443834      6.16167236    -15.43760108
  H     15.44935224      5.85458420    -17.50610996
  H     19.79610383      9.16094074    -14.37458725
  O     15.63591183      4.96950310    -16.03170465
  H     15.60001335     10.39129399     -8.52495884
  H     19.91342507      7.61770099    -14.35871836
  O     18.84525534      9.66857474    -18.41564565
  H     16.24312900      9.12545100     -9.14272972
  H     17.48353734      6.37992364    -12.07458999
  O     16.94920291      8.37275562    -15.40512107
  H     13.20946744      9.05628330    -13.60238362
  H     16.52671419      5.40716217    -11.33070679
  O     15.33345488     11.57643909    -14.20887527
  H     14.04682917      7.80062969    -13.26335113
  H     17.78665979      7.88406972    -10.05298688
  O     15.52992725      5.61510067     -9.78492988
  H     18.21288549      3.27768555    -14.15197051
  H     16.84866568      6.96829492     -9.24562594
  O     13.09273308     10.08214496    -15.21729879
  H     17.59228793      4.55671483    -13.55262827
  H     16.64113404     11.58772417    -17.45443915
  O     19.94810315      8.40546711    -13.79537672
  H     13.54161588      7.95743213    -11.07200819
  H     15.80185830     10.35828525    -17.88216473
  O     17.02853934      5.52539958    -12.14674099
  H     14.26245313      8.46474083     -9.80547180
  H     15.07796287      9.38099817    -12.32913431
  O     17.36169074      7.78285455     -9.18834409
  H     19.21977698      6.36802826    -16.29916570
  H     15.79299673     10.01638646    -11.11673873
  O     16.48161887     10.97359583    -18.18369408
  H     19.07272748      5.43968655    -15.08362128
  H     19.08095145     10.11241585    -16.54563724
  O     15.87103937      9.87053431    -12.06833791
  H     16.41757367      4.55475207    -15.64921179
  H     18.44329579     11.17835659    -15.63282638
  O     18.95032968     10.35672607    -15.62061859
  H     15.30194490      5.54281265    -15.32779031
  H     14.84117463      8.14118368    -17.56776194
  O     14.82145232      8.94681426    -17.03799995
  H     19.37626217     10.01553936    -19.12737016
  H     15.55595360      8.85464441    -16.40994067
          69
 Energy    -248.46066275750343     
  O     12.25685498     11.15753985    -15.01042102
  H     12.50136814     10.40979069    -15.57379903
  H     18.77246423      8.02096366    -14.73934257
  O     15.56403448      6.70272419    -12.81209266
  H     12.96538973     11.80457724    -15.10085000
  H     15.84347870     10.63432296    -17.37993695
  O     17.78532438     10.43996102    -12.29965002
  H     16.43683383      6.95014221    -12.48069025
  H     16.86123973     10.82672886    -16.23854186
  O     17.67909625      9.56020436    -14.97541359
  H     14.92773882      6.89753774    -12.11047933
  H     14.42585550      8.94202258    -14.98707576
  O     12.47346594      6.38114132    -15.51701564
  H     17.89233019     10.49481722    -11.33774834
  H     15.14426087      8.16720011    -13.82338300
  O     14.97868171     10.43449293     -8.68107058
  H     16.93244246     10.85579702    -12.48719829
  H     10.35940927     10.49743456    -12.60102710
  O     13.75571060      7.56126011    -10.92100405
  H     16.75363629      9.31758900    -14.80048399
  H     11.60043757     10.58821650    -13.52075177
  O     15.22409784     11.35954883    -12.94457670
  H     17.97346025      9.99347360    -14.16319180
  H     18.10832486      7.40382286    -10.23840471
  O     16.90314910      7.51253519    -16.96527943
  H     11.80333430      5.73657526    -15.72778378
  H     18.77965283      6.89874403     -8.94170052
  O     15.27064310      7.56846849     -8.63482452
  H     12.27058529      6.71257908    -14.62294762
  H     12.48629880      7.28915442    -12.29198141
  O     15.30760516      5.86569563    -15.44643025
  H     14.40067805     10.47134504     -9.46055692
  H     11.62829613      8.34579273    -13.00085021
  O     19.10968404      7.14430784    -14.50667648
  H     14.59534106     11.01723121     -8.02989125
  H     17.94657616      8.60347540    -12.09898508
  O     16.18962979     11.28470982    -16.75717951
  H     14.21214268      7.39571846    -10.08326400
  H     18.54492624      7.33945145    -12.78250585
  O     15.08685622      9.01130475    -14.28878849
  H     13.68745062      8.52204454    -10.99581602
  H     16.81680646     10.42223046     -9.23632972
  O     11.26214626     10.20386556    -12.69161708
  H     15.02646899     12.03756861    -13.60032018
  H     17.92695036      9.36363645     -9.31772570
  O     18.05798981      7.43030953     -9.26795422
  H     15.10208384     10.50967730    -13.40130924
  H     15.26202997      8.98690037    -19.29677045
  O     11.94596245      7.43842304    -13.07831583
  H     17.29522842      8.14357584    -16.35431564
  H     15.82858207      8.46721953    -17.95235419
  O     18.06472869      7.64756073    -12.00162434
  H     16.36160403      6.90137643    -16.43791785
  H     12.66105374     10.38299827    -11.47881494
  O     17.71409279     10.27329060     -9.55923896
  H     15.17476894      8.51871057     -8.49275799
  H     14.13595033     10.81931617    -11.63107597
  O     15.20085666      9.09594973    -18.35168791
  H     16.21304979      7.42249418     -8.78430811
  H     14.62736208     13.75952593    -15.52290712
  O     13.51127380     10.39899932    -11.02154788
  H     14.35136583      5.92494692    -15.55427430
  H     15.13979080     12.33139469    -15.81961945
  O     14.56259522     12.85313973    -15.23429367
  H     15.45956824      5.97371844    -14.49697837
  H     12.90011563      8.02163172    -16.23835954
  O     13.21251634      8.92561577    -16.37743301
  H     18.82778108      6.56848787    -15.21763440
  H     13.79772275      8.93692410    -17.14528124
          69
 Energy    -248.46058357503296     
  O     16.76445411     11.67953386    -15.67321168
  H     17.64379433     11.28397146    -15.64444092
  H     16.40647050      5.16257809    -14.51800386
  O     12.49099021      7.31246398    -13.67248826
  H     16.42618932     11.50751635    -16.56120419
  H     17.19333115      7.90567348    -17.91194060
  O     19.31877507      6.86184868    -12.75602356
  H     12.80457787      8.12069502    -14.11499400
  H     16.95463060      9.45616174    -17.99492571
  O     16.35408035      6.32797744    -18.08151939
  H     11.58567305      7.46779294    -13.41524833
  H     16.53619748      8.42376571    -16.07068072
  O     13.51300546      6.72379987    -18.30152045
  H     19.37900422      6.98457135    -11.79610092
  H     16.69392575      8.49945896    -14.52957931
  O     16.85792683      9.00008285     -9.36267533
  H     18.56338628      6.27622046    -12.89750499
  H     15.58297312     11.71441133    -14.38739660
  O     14.82791850      7.18613136    -12.09450405
  H     15.41613341      6.45214317    -18.27310718
  H     14.58659817     12.60962402    -13.61790099
  O     17.91637057      9.16552162    -13.33568420
  H     16.38412366      5.81945959    -17.26128962
  H     17.31810378      3.96350258     -9.38971988
  O     15.38410127      6.54839054     -9.41659391
  H     13.36657269      6.30753527    -17.43297204
  H     16.58952550      5.29879904     -9.67782771
  O     19.10767322      9.99712558    -15.68360008
  H     12.97360928      6.24724081    -18.92724584
  H     14.52074135      8.96132928    -15.04035649
  O     13.29575584      5.61120533    -15.84424515
  H     16.98132726      9.72570454     -8.75521116
  H     13.92686811     10.27478289    -14.48191089
  O     16.04023908      5.44586145    -15.36342674
  H     16.46901639      9.37714785    -10.16821082
  H     20.44323143      7.57946844    -14.04056574
  O     17.50251456      8.76834280    -17.59592514
  H     15.08864819      8.11485494    -12.03586080
  H     21.70096136      7.62628460    -14.91989165
  O     16.09936050      8.21377372    -15.23429039
  H     13.99904877      7.15024462    -12.58621310
  H     17.09631230      4.98404340    -11.83123186
  O     14.87157966     11.70551688    -13.72084052
  H     18.36683768      9.57109773    -14.08881908
  H     16.19510949      6.01211171    -12.54218931
  O     17.33116910      4.73107418     -9.95470658
  H     18.43269272      8.39177479    -13.07424860
  H     18.51493207      6.25716655     -9.91991186
  O     13.68495592      9.43362760    -14.88605976
  H     15.02439577      6.68706835    -10.30403348
  H     18.33206023      7.78035031     -9.79069942
  O     20.89894504      8.10198894    -14.71833129
  H     15.83343363      7.37514377     -9.20067296
  H     15.68447044     11.43608492    -19.04699594
  O     16.91566561      5.38209480    -12.69150136
  H     18.66808738      9.54325634    -16.41827397
  H     14.96573520     10.43066696    -18.11350707
  O     18.96647726      7.10148224    -10.04827541
  H     19.84864943      9.42982932    -15.42405790
  H     15.39364961     10.52995208    -12.30459286
  O     15.80174220     10.90847465    -18.26186089
  H     14.21526736      5.39402213    -15.63310185
  H     16.64229845      9.63222068    -12.29201149
  O     15.82469153      9.82978853    -11.80321254
  H     12.95102739      6.09049985    -15.08318649
  H     13.45533329      9.50865556    -16.75333926
  O     13.58059725      9.48660750    -17.71045400
  H     16.03121456      6.41552080    -15.32150713
  H     13.52445105      8.55803649    -17.97042153
          69
 Energy    -248.46027528912862     
  O     13.52008517      5.80274261    -13.59166376
  H     13.36358144      6.07201609    -14.50620571
  H     16.07569923      4.19161726    -12.83295708
  O     17.36137567      7.00969310    -12.53291330
  H     14.41941808      5.44509604    -13.57875954
  H     18.98003641      8.91833178    -15.29953113
  O     16.48601946     11.27299874    -12.55856313
  H     18.22353799      7.41981806    -12.40546955
  H     19.01936748     10.34115033    -14.69416658
  O     16.55687571     10.45624970    -16.73000719
  H     16.75883935      7.68542154    -12.87967318
  H     13.72086884     10.04933240    -15.26157011
  O     15.79239618      3.60671247    -11.05810832
  H     15.70380423     11.70468945    -12.19277620
  H     14.95985234      9.88908202    -16.23070600
  O     13.99218924      9.97277584     -9.76560867
  H     16.18722552     10.40052547    -12.85823936
  H     15.24605382      8.97778736    -14.30069152
  O     16.04594819      6.31115978    -10.19472978
  H     17.03201955     11.04541377    -16.13229782
  H     14.66943234      8.69935981    -12.90888208
  O     12.83845279     10.83131105    -13.88160527
  H     17.09080340      9.65378549    -16.79746888
  H     13.32489021      5.52789320    -11.70637770
  O     16.23720834      6.12049720    -16.07634321
  H     16.07299568      4.41795349    -10.61091575
  H     14.30410404      5.82873900    -10.54585004
  O     16.37779605      8.75624908     -8.80987306
  H     14.85281452      3.55271986    -10.87140643
  H     17.55475028     10.54238348    -11.19581148
  O     18.06614116      8.03562827    -16.66671897
  H     13.32186159      9.28027856     -9.72844178
  H     18.68737521      9.50349170    -11.04161319
  O     16.14169058      4.79678941    -13.58261001
  H     14.79882424      9.58124142     -9.40912636
  H     18.29030922     12.83523567    -14.72263279
  O     19.40283579      9.45900841    -14.62018017
  H     16.12713287      7.06860976     -9.60412867
  H     17.46487040     11.78611912    -13.94073810
  O     14.21561211      9.42845424    -15.81643801
  H     16.53314430      6.55178933    -10.99606529
  H     19.68926119      8.82380893    -13.06458534
  O     15.50229661      8.83255056    -13.38109188
  H     13.21099097     11.37105954    -13.17633815
  H     20.64793969      8.14468522    -12.05423110
  O     13.39022052      5.57257727    -10.74381987
  H     12.66768895      9.97161690    -13.46846707
  H     13.65798835     12.81591415    -11.07251065
  O     18.02505598     10.00248094    -10.54797620
  H     15.30413283      6.31589155    -16.22134273
  H     13.98672564     11.31907528    -10.87363435
  O     18.00097806     11.92673067    -14.73953665
  H     16.26905546      5.52457138    -15.31731627
  H     12.52370825      6.96755271    -10.11722192
  O     19.74859465      8.43737352    -12.17116493
  H     16.69715269      8.90296903     -7.92325672
  H     11.27047229      7.66535530     -9.53748981
  O     14.03098918     12.05547974    -11.51034601
  H     17.00272983      9.20297098     -9.40970051
  H     13.00431176      7.44704510    -12.96925171
  O     12.12315716      7.83460091     -9.92906916
  H     17.42566661      7.34284240    -16.42954964
  H     12.52184589      8.23335924    -11.72090290
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  H     12.87280967      6.78628301    -16.94568647
  O     13.46896743      6.85533784    -16.20476408
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  H     13.68146524      7.80044700    -16.10258338
          69
 Energy    -248.46008850337654     
  O     14.42429294      9.44844184     -9.84240015
  H     15.14605288     10.09495961     -9.95872148
  H     13.32320741      6.32840678    -15.27462903
  O     14.58702106      5.21908816    -12.49178557
  H     13.94160977      9.71161438     -9.06320058
  H     18.43285898      4.94836028    -16.12505726
  O     16.52296404     12.05419515    -12.83533634
  H     14.81948813      4.66435100    -13.25309549
  H     17.36202985      5.92118942    -15.58068827
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  H     15.20784524      5.00861325    -11.78405107
  H     16.13597085      9.03733439    -16.06553833
  O     11.14611265      8.45912217    -15.54774096
  H     15.68398239     11.90407937    -13.28997935
  H     16.91168633     10.30936118    -15.67805513
  O     16.59308874      7.56042518     -9.42858220
  H     17.19990721     11.66580509    -13.40067621
  H     15.10127832      8.29400602    -12.82086801
  O     12.59994372      6.87030229    -13.66135813
  H     18.45508808      9.84719099    -13.89940505
  H     15.47640999      6.79741148    -12.81275466
  O     14.26706661     11.14504608    -14.27472671
  H     19.25643348     10.88349933    -14.71972297
  H     17.07274725      4.26146807    -10.21436807
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  H     11.44273376      8.08667596    -16.38759086
  H     17.41971315      5.20373175    -11.39111254
  O     15.26086535      3.96169201    -14.84050176
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  H     15.76341492      8.02193980     -9.59748675
  H     18.59128882      8.80266936    -11.78168446
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  H     18.38034759      5.39095754    -13.56774017
  O     16.09225240     10.00437969    -16.08676375
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  H     17.95745899      8.58248346     -9.72413594
  O     15.82321638      7.67949520    -13.00234576
  H     13.42841516     11.25684030    -14.73999658
  H     19.32328165      9.18654889     -9.31269979
  O     16.74848310      5.00705979    -10.71319267
  H     14.87748060     10.73282358    -14.90293823
  H     12.10967233      7.51945787    -18.85922867
  O     18.41290681      8.52890056    -12.69133160
  H     14.60859946     10.07338729    -17.28428630
  H     12.95117811      8.44574152    -17.94759004
  O     18.54301967      5.66482483    -12.65670405
  H     13.12963747     10.48637000    -17.13374337
  H     17.32696345     10.60350796    -10.15222281
  O     18.65858512      9.20401855     -9.99548413
  H     14.71032632      4.51261963    -15.41393575
  H     16.52817948     11.50221764    -11.13220804
  O     12.44438829      7.61420423    -17.97179903
  H     16.17484446      4.18518071    -15.05158106
  H     11.13902297     11.62292597    -15.84820711
  O     16.50252656     11.09089793    -10.25510988
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  O     11.90597320     11.06300755    -15.76466430
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  H     13.76974749      9.34391586    -11.54224751
          69
 Energy    -248.46004444531019     
  O     13.17262147     12.30185222    -14.47184627
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  H     11.91651080      6.81330190    -15.71767907
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  H     13.31080989      6.21111374    -14.25776534
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  H     15.19433482      9.55905542    -13.88902567
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  H     19.58007764      9.15170608    -16.77289526
  H     12.43576694     11.94050579    -12.94226858
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  H     14.64170889      5.89857354     -8.39741369
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  H     13.55289245      9.68590288    -15.56157295
          69
 Energy    -248.45984122331558     
  O      0.49101974     -0.31885190      2.99022427
  H      1.06371523     -0.40183170      2.21830299
  H     -2.67876083      4.79256450      0.55355104
  O     -2.72276041      0.46991335     -3.56286576
  H      0.52467415      0.59047710      3.31960889
  H     -0.33625014      3.85107700      1.26473806
  O     -1.00019684     -2.08680926      4.64498992
  H     -1.92573176      0.67021863     -3.04211979
  H      0.52958794      3.12655687      2.30307381
  O     -4.44009143      0.17641754     -1.31318192
  H     -2.62934822      0.92796187     -4.39414822
  H     -1.75398447      1.44736514     -0.63203295
  O     -2.12712186     -2.29321794     -2.91789318
  H     -0.37753880     -1.52735340      4.16233852
  H     -3.26750786      1.22188202     -0.42265732
  O     -0.13621097     -1.88610050     -1.04227516
  H     -1.81177068     -1.57035043      4.73846803
  H     -2.19070751      0.45184241      1.29715902
  O     -2.46394938      2.86422575      3.58651909
  H     -4.28700468     -0.76133223     -1.12181892
  H     -1.13408943     -0.22450558      2.23676845
  O     -4.46962423     -3.17089652      3.35772630
  H     -4.03527930      0.33998613     -2.17391186
  H     -4.78264785     -2.66319897     -0.18802434
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  H     -2.84856364     -2.51668422     -2.31529345
  H     -3.24419255     -2.71409088     -0.19123378
  O     -5.01291379      1.54349163      3.53201894
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  H      1.23168457     -1.19579817     -0.05202967
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  H      2.69578025     -1.22822979      0.42775862
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  H     -0.80693606      2.43029901      3.89970064
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  H     -2.46036112      3.41052408      2.78949062
  H      0.43480976      2.63499912      4.79865951
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  H     -3.31467586      2.41131243      3.59687246
  H      1.25583549      2.49944261      0.08569112
  O     -2.03318359     -0.29489917      1.88513152
  H     -4.21273900     -2.32581010      3.75280721
  H      1.79275515      1.06887851     -0.16055318
  O     -4.01125546     -2.52902521     -0.75273621
  H     -3.66730803     -3.70431857      3.34676909
  H     -1.47293876     -3.56211006      3.84039223
  O      1.86795291     -0.76615440      0.54261757
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  H     -1.46923497     -5.10101146      3.67109654
  O      0.14985928      2.25896613      3.96982291
  H     -0.46559852     -0.13724944     -1.57495242
  H     -1.77596330     -3.44179390      1.66023486
  O      1.53048466      1.88090762     -0.60817008
  H     -5.80462916      1.95792665      3.86530597
  H     -1.95677214     -1.94309059      1.28434396
  O     -1.82682266     -4.29655689      3.30634730
  H     -5.26137862      1.10498097      2.69922227
  H     -6.84519818     -3.10198739      1.29796864
  O     -1.81542810     -2.83029336      0.91661867
  H     -4.06726584      0.03103093      4.25497275
  H     -5.48397357     -2.86979806      1.99621743
  O     -6.02412374     -2.62319325      1.22354477
  H     -2.97974336     -0.57183274      3.36943820
  H     -5.42724456      0.36438382      0.33585650
  O     -5.72248164      0.22351400      1.24272298
  H     -2.38262850      3.27493657      0.63353461
  H     -5.89570738     -0.72424916      1.30596427
          69
 Energy    -248.45980883368838     
  O     -2.94375999     -5.13968593      3.27532708
  H     -2.24569032     -5.79362291      3.08401178
  H     -5.03309628     -5.88436614     -2.13539299
  O      2.14043748     -3.95841796     -3.89312380
  H     -2.92265786     -4.98374168      4.21513967
  H      4.67747880     -5.97405360      0.50334869
  O      0.86246716     -8.19635613     -0.69647384
  H      2.44298717     -3.77435716     -2.98580653
  H      3.78386294     -6.62833976     -0.57520527
  O      2.26281700     -6.79608862     -3.86055799
  H      2.48073117     -3.26134561     -4.44714340
  H     -4.42181947     -9.54770294     -0.60859616
  O     -2.82919478     -8.46987774     -3.18756310
  H      0.90683788     -7.43824295     -0.09373718
  H     -3.92894083    -10.97394177     -0.94224802
  O     -2.66025465     -6.19683365     -0.45884526
  H      1.75513402     -8.31757636     -1.03628552
  H     -3.59495432     -2.99868119     -0.23503612
  O     -0.46741606     -4.51440643     -2.92133214
  H      2.29752277     -5.83911146     -3.97869940
  H     -4.42429011     -1.78927387     -0.72012575
  O     -5.97261918     -5.03503656     -0.78671850
  H      1.32578335     -7.02122544     -3.77223604
  H     -4.32939707     -5.97917198      2.19802635
  O      3.50521869     -7.95386878     -1.78625739
  H     -3.45807588     -7.73364833     -3.15750161
  H     -4.02471157     -6.34104233      0.74138839
  O     -5.72892875     -8.50712937     -0.04402586
  H     -3.11128654     -9.08754586     -2.50476472
  H      0.75909205     -5.22632069      0.54960214
  O     -1.63696164     -8.65157186      0.41786286
  H     -3.13597733     -6.26386023     -1.29667877
  H      2.09710944     -5.94159179      0.86382570
  O     -4.32832451     -6.18847162     -2.72285173
  H     -2.25384163     -7.04897531     -0.25945901
  H     -0.67956674     -3.59002526      0.16063442
  O      3.82834922     -5.90711856      0.07289513
  H     -0.51432349     -5.48111290     -2.96702048
  H     -0.13238251     -4.03660322     -1.22086380
  O     -3.65470056    -10.06086014     -0.91657362
  H      0.33773987     -4.25205502     -3.38326903
  H      1.90916169     -3.48868728     -0.85462524
  O     -4.24387089     -2.70955817     -0.89679551
  H     -5.71819181     -5.39158023      0.07358583
  H      3.21634565     -4.30751165     -0.82228018
  O     -4.72667184     -6.36437456      1.41054217
  H     -5.52292255     -4.18263695     -0.85261088
  H     -0.21692342     -6.57237018      2.17369701
  O      1.14245197     -6.00123004      0.98644581
  H      4.05158487     -8.66741887     -2.10420253
  H     -1.32028636     -7.62247578      1.97605152
  O      0.13277796     -3.77836693     -0.32454102
  H      3.11105681     -7.53002278     -2.57184941
  H     -2.40753467     -4.64228831      0.31988017
  O      2.77382131     -3.58293075     -1.27853764
  H     -6.34308777     -8.04753714     -0.61532133
  H     -2.57783791     -4.06980245      1.74258559
  O     -1.02944412     -6.91559112      2.56702750
  H     -5.44767661     -7.84988005      0.61032868
  H     -1.21227742     -7.73593512     -3.19895804
  O     -2.39139023     -3.81457424      0.83175261
  H     -0.77310943     -8.73969862     -0.00734204
  H     -0.00466088     -7.61159328     -2.22582758
  O     -0.37170553     -7.27796112     -3.05444004
  H     -2.25450869     -9.25430321     -0.01460709
  H     -2.21127810     -3.93638836     -3.24192788
  O     -3.16045880     -3.79647109     -3.36137815
  H     -3.94686078     -5.39052992     -3.12077384
  H     -3.47338594     -3.31779248     -2.58465250
          69
 Energy    -248.45961184651316     
  O     15.00052574      9.75863286    -10.69172384
  H     15.07430540     10.03421189    -11.61656105
  H     11.01240414      7.75214185     -7.66055156
  O     18.85192667      5.05774903    -10.71671358
  H     15.82514050      9.30550518    -10.46840290
  H     16.51417240      8.58612877     -5.64404403
  O     13.73527206      6.34328223    -13.39199910
  H     19.20006636      5.72922413    -10.11722599
  H     17.30106525      8.52264035     -4.32859922
  O     13.45070259      5.75298451     -9.68257550
  H     18.38759637      5.54045919    -11.41347861
  H     13.58765104      8.52415956    -11.06793139
  O     15.73377797      7.71692311    -14.55546552
  H     13.29862592      6.91560453    -12.74568685
  H     12.98877562      7.14313314    -10.67258552
  O     17.00821334      3.27724974     -9.83278148
  H     14.09098263      5.59831337    -12.89280111
  H     16.34704298      5.87680887    -12.07617628
  O     15.21843635     10.22539814    -13.39397814
  H     12.87222885      5.28982136     -9.06242465
  H     16.74641219      6.93693827    -13.13726530
  O     16.27761795      4.58256235     -7.41068284
  H     14.12152994      6.22237400     -9.16480306
  H     14.48764189      4.97073422    -10.87572053
  O     17.23323032      8.19484958    -10.15613223
  H     14.96503088      7.22102985    -14.21613077
  H     15.70582698      4.04069750    -11.03046884
  O     15.48406617      7.02109300     -8.36551444
  H     15.86761903      7.43824862    -15.45738072
  H     14.51208675      9.59716534     -7.01961914
  O     13.14502799      7.19933859     -5.42538166
  H     17.72882818      3.86824229    -10.11726022
  H     14.25107721      8.40765561     -6.02287231
  O     10.76320062      7.12580622     -6.95814881
  H     17.32938515      2.38501333     -9.93591151
  H     11.44566819      5.42394235     -7.41938769
  O     17.33739927      8.26289358     -5.24606413
  H     15.43556012      9.39336648    -13.84019048
  H     12.60112280      4.48896446     -6.99700971
  O     12.84207402      7.92994586    -11.22321990
  H     14.70977970     10.73375389    -14.02186378
  H     13.72229825     11.58719991     -8.40471519
  O     17.04100561      6.50522372    -12.32865216
  H     16.49394526      4.04440073     -8.18128216
  H     14.22393884     10.37830404     -9.22638543
  O     15.13384815      4.64224605    -11.52051371
  H     16.03215051      5.45946820     -7.74831338
  H     18.14101544      6.90956394     -6.14157917
  O     14.93769787      8.94934321     -6.44714815
  H     17.18534564      7.64405344    -10.95195550
  H     17.84504674      5.53750728     -6.79947751
  O     11.94653155      4.64260822     -7.68953925
  H     18.07897707      8.00115058     -9.73286048
  H     14.87172432      4.45493761     -6.30149550
  O     13.77283507     10.63438116     -8.40341986
  H     15.29068537      7.67953565     -7.68671959
  H     14.19998912      3.87184088     -5.04135639
  O     18.52666188      6.20970364     -6.68937808
  H     16.11983397      7.41096806     -8.97892431
  H     11.79202121      8.58095062     -9.75005571
  O     14.07057220      4.49304431     -5.75402914
  H     13.47612059      6.29379047     -5.46176416
  H     12.21770576      9.53694981     -8.62766502
  O     11.54487071      8.89000722     -8.86981803
  H     12.28761737      7.19142100     -5.86975197
  H     19.23038179      6.83690837     -8.12032848
  O     19.56474355      7.19333126     -8.96387209
  H      9.85602991      7.31490607     -6.73390060
  H     20.43071600      7.55020523     -8.78783529
          69
 Energy    -248.45953086184161     
  O     17.27787977      3.72854541    -15.06279709
  H     16.85154950      3.16804405    -14.40288377
  H     15.91814543     10.54538472    -15.63024505
  O     18.68445671      9.21213420    -11.11108915
  H     16.61530046      4.39396032    -15.29155644
  H     14.50295270      8.57218366    -16.30553825
  O     12.54660524     10.68987809    -11.15868468
  H     19.01104745      8.56288504    -11.74610430
  H     13.61432354      7.78224066    -17.28809520
  O     17.05748035      7.78979364    -14.56384190
  H     18.45086006      8.71341132    -10.31812517
  H     14.79815506      8.28007018    -12.12614049
  O     19.67692830      4.46998817    -13.99697931
  H     12.06066277      9.86321968    -11.24759308
  H     15.77519416      9.49331207    -12.31308206
  O     11.35786485      8.14031255    -11.91549333
  H     12.82977558     10.91670699    -12.05635013
  H     16.90210963      2.67731504    -12.32430153
  O     17.72627901      7.60521786     -8.94638605
  H     16.43997303      8.17430294    -13.92077770
  H     15.85438269      1.56169518    -12.55333763
  O     13.81758751      7.16134274    -11.04364086
  H     16.61760245      6.99445830    -14.89074100
  H     14.62016559     11.87400897     -9.09113074
  O     15.19054023      8.46452832     -8.99095167
  H     20.38612238      4.13707507    -14.54074366
  H     13.95155878     11.02912423    -10.20061480
  O     15.31417188      5.71579668    -15.18058137
  H     18.84656335      4.23229487    -14.44748575
  H     17.98193508      6.32726219    -11.77400539
  O     19.14385250      7.06473234    -12.96268444
  H     11.50553783      8.30887478    -12.86349463
  H     17.46723532      6.40093925    -10.31573523
  O     15.84652430      9.73682619    -16.14860573
  H     10.44276060      7.89061092    -11.82016055
  H     14.26379108     11.48287703    -14.02818158
  O     13.85223394      7.85115795    -16.36606679
  H     16.80673711      7.92479205     -8.89330047
  H     14.09291385     10.06600985    -13.47734583
  O     15.25010782      8.82805272    -12.77877810
  H     18.02387911      7.46104600     -8.05280229
  H     16.16345776     11.13845597    -11.01806487
  O     16.06717502      2.46297366    -12.77876216
  H     14.08018188      6.34766496    -11.49505477
  H     17.48309249     10.43852566    -11.52014339
  O     14.78983618     11.18590747     -9.72938115
  H     12.91800721      7.38668607    -11.31484355
  H     16.59608606     12.79965177    -14.47816636
  O     17.38446490      5.90652696    -11.13941227
  H     15.03535189      9.39888240     -9.17119887
  H     16.39808422     11.68589904    -13.42928462
  O     13.59333541     10.86062491    -13.72921166
  H     14.64965189      7.96593658     -9.61911054
  H     15.86738413      5.43648064    -11.98457638
  O     16.72108325     10.97640693    -11.78938201
  H     15.08800144      5.58602875    -14.24812836
  H     15.21051502      4.15172037    -12.52642554
  O     16.10992525     11.99781906    -14.30371133
  H     14.70550262      6.36440590    -15.55424384
  H     18.98432421      3.60823632    -12.39266699
  O     15.07153304      5.10136786    -12.42826530
  H     18.48988004      7.38102606    -13.60622018
  H     18.07213194      4.18699756    -11.30702399
  O     18.39090279      3.35112534    -11.67637514
  H     19.48594380      6.23268704    -13.31195261
  H     12.33367984      9.64485583    -14.35337916
  O     11.92266763      8.77938248    -14.48919928
  H     16.45825559      9.11298528    -15.73208637
  H     12.48898357      8.33886358    -15.13345002
          69
 Ord_Energy   -248.459427    
 O   -3.33966303       4.30848789       2.96755910    
 H   -3.59782004       5.18475485       2.63636374    
 H   -2.39455342       4.23200274       2.78006220    
 O   -8.85353947       4.02240133       2.65078402    
 H   -8.31191826       3.24231672       2.82863784    
 H   -8.92823315       4.48265505       3.49513650    
 O   -6.65854406       3.41373277       5.59234905    
 H   -6.63551521       2.86378932       4.79897165    
 H   -5.82530260       3.90176702       5.62148046    
 O   -8.68959332       5.17749929       5.28450680    
 H   -9.32928944       5.13966036       5.99027586    
 H   -8.00983620       4.50662279       5.48237705    
 O   -4.54691601       8.34537601      -1.25452530    
 H   -5.06866980       7.54859686      -1.40755522    
 H   -5.07387590       8.90727711     -0.672626555    
 O   -7.15960836       5.01481342      0.758798361    
 H   -7.89431810       4.72922134       1.32174420    
 H   -6.43498230       4.39913845      0.935756326    
 O  -0.631879270       7.21972132       3.65617156    
 H   0.210967809       7.42520428       4.05578232    
 H   -1.27934337       7.19080734       4.37863731    
 O   -4.41612244       5.13573027       5.32373047    
 H   -4.03265762       4.71509123       4.53866720    
 H   -3.75913119       5.77752066       5.61374903    
 O   -6.62459469       7.44318199       1.95470226    
 H   -6.65428734       7.30127621       2.91154909    
 H   -6.89285374       6.61749172       1.52962673    
 O   -6.54311085       6.87283802       4.63931084    
 H   -7.35978174       6.42969322       4.89968014    
 H   -5.82239342       6.26004171       4.84362555    
 O   -5.16316891       3.10975647       1.30039358    
 H   -4.80599642       3.22958183      0.408335209    
 H   -4.49118853       3.43820143       1.91527522    
 O   -2.49236989       7.25231600       5.75237560    
 H   -3.19870234       7.87648296       5.49785233    
 H   -2.26455688       7.45657110       6.65612030    
 O   -2.19017673       5.69072247     -0.130425081    
 H   -2.87364173       5.97755527      0.494020551    
 H   -1.90678465       6.49809504     -0.574715853    
 O   -4.17383051       3.94991541      -1.11378765    
 H   -3.37335968       4.44420815     -0.890095532    
 H   -4.79461336       4.60771227      -1.44736087    
 O   -6.16390228       5.99578428      -1.62355089    
 H   -6.60935545       5.67129087     -0.823702753    
 H   -6.79315996       5.90874720      -2.33649826    
 O   -1.85848713       8.35932446     -0.979530752    
 H   -1.46055114       8.82606125      -1.70881939    
 H   -2.82357287       8.38248444      -1.12228930    
 O   -6.13158083       9.75990582      0.630374670    
 H   -6.39962578       8.96011353       1.11675990    
 H   -6.91720676       10.2888384      0.515983284    
 O  -0.756174147       4.73927641       2.14497614    
 H   -1.08136940       4.99922228       1.27180994    
 H  -0.633531451       5.56103325       2.63546681    
 O   -4.52859354       8.83728790       5.06109285    
 H   -4.47141266       9.41824722       4.28830338    
 H   -5.34243345       8.32822704       4.97253704    
 O   -3.91763830       6.71757269       1.84140348    
 H   -4.83455801       7.01253462       1.84107018    
 H   -3.36324620       7.50492001       1.91117561    
 O   -6.87813759       1.98109198       3.11706018    
 H   -6.26167965       2.29715991       2.43549490    
 H   -6.93835354       1.03480220       3.01031089    
 O   -4.23424959       10.2962904       2.73477030    
 H   -3.40443516       9.93188477       2.39673686    
 H   -4.86101484       10.2454929       2.00495744    
 O   -2.05627894       8.81632137       1.80263555    
 H   -1.42964518       8.32190418       2.34549499    
 H   -1.82846820       8.69743538      0.871372461    
          69
 Energy    -248.45937108452327     
  O     14.18625785      5.04573523    -16.08965933
  H     14.07124197      5.92817420    -16.46989999
  H     18.40849974      7.36549042    -18.04858391
  O     18.16607608      7.75865250    -11.95154687
  H     14.15582067      5.17828211    -15.13363240
  H     15.88238724      7.51178512    -15.98959317
  O     17.37690386      6.23138600    -18.98020394
  H     19.02774175      7.90626680    -12.35802084
  H     16.64302752      8.09701122    -14.75424711
  O     13.77864169      8.33115363    -10.32190822
  H     17.56285385      8.38056733    -12.38831062
  H     13.76132183      9.58801783    -14.69168380
  O     14.33101057      5.79899071    -13.37407133
  H     17.01492497      5.47665200    -18.49930389
  H     14.75603667     10.44999615    -15.50834415
  O     16.45817048      9.33698941    -13.35679085
  H     16.62454521      6.75752204    -19.27658470
  H     16.38302463      4.76459025    -10.98171536
  O     17.79256910      4.97137133    -15.18517838
  H     14.70234195      8.10577520    -10.11086453
  H     16.36428757      3.88067080     -9.71344602
  O     13.33754640      5.49950553    -10.81722301
  H     13.44422636      8.83686300     -9.58595226
  H     14.55926355      7.82819113    -17.89822708
  O     19.16531044     10.03101377    -15.45278026
  H     15.26145547      5.65199408    -13.16311326
  H     14.06308301      8.49979167    -16.57640034
  O     16.32675852      4.04843848    -17.40177400
  H     13.83854509      5.59087054    -12.56654729
  H     21.35576972      8.39695533    -13.28444437
  O     20.17448150      6.42786613    -15.47522723
  H     15.52224743      9.12915952    -13.21671158
  H     20.40235518      7.58252540    -14.18984881
  O     18.67632859      7.99728555    -17.36372941
  H     16.51287883     10.09686325    -13.94495434
  H     17.46170016      6.12316029    -12.35691246
  O     16.71588607      7.49163321    -15.49947922
  H     17.41521563      4.46955559    -15.91672659
  H     17.35305076      4.99093153    -13.42073306
  O     13.91759885      9.98276244    -15.56204006
  H     17.39451634      5.85502927    -15.25355658
  H     17.05487695      7.66296266    -10.40306374
  O     15.99549143      4.67342437    -10.09413196
  H     13.33873019      6.43011321    -10.56195749
  H     16.25060198      6.53407860     -9.73231304
  O     14.33754772      7.66136021    -16.97433422
  H     14.15007857      5.12702304    -10.45070332
  H     17.60629568      9.41932185    -18.05624833
  O     20.43942920      8.29918891    -13.53098266
  H     19.59053963      9.57165617    -14.71876055
  H     16.68973071     10.48059925    -17.43018519
  O     17.01877216      5.28761661    -12.56410735
  H     19.21739627      9.42548130    -16.20336136
  H     13.70120593      8.57951904    -12.16208651
  O     16.31848825      7.49500243     -9.80200627
  H     16.12347452      3.19119548    -17.76626798
  H     13.96122865      7.60257524    -13.33218311
  O     16.88349674     10.02944403    -18.25662179
  H     15.52321006      4.35461373    -16.94206732
  H     17.62799355     10.83784564    -15.47985175
  O     13.85660023      8.54081549    -13.11493185
  H     19.48937906      5.76137387    -15.32969609
  H     16.79714514     12.14558678    -15.47098253
  O     16.71935779     11.19426359    -15.49831071
  H     19.89615394      6.89984245    -16.26878066
  H     15.83614269      8.93424917    -19.16669689
  O     15.32086526      8.19776989    -19.54080298
  H     18.02726061      7.87351413    -16.65029828
  H     14.95587031      8.50634027    -20.36587217
          69
 Energy    -248.45901770917649     
  O     15.46371035      9.33520036    -16.66582102
  H     15.99245539      9.52975178    -15.88295722
  H     18.86026995      6.13709023    -17.48063404
  O     14.60752711      3.11576650    -16.21021072
  H     14.67320253      8.87647090    -16.36227288
  H     17.47170761      6.43706557    -15.97228822
  O     17.43433230      6.04416294    -11.38690237
  H     15.49322572      2.80575128    -16.43120723
  H     16.58893194      6.59473127    -14.68346316
  O     18.32048980      4.62737553    -18.34619486
  H     14.50475382      3.96437335    -16.66246149
  H     12.23592030      8.14829715    -16.05004856
  O     12.84384770      6.51438324    -10.69102214
  H     18.31882903      5.97279815    -11.76308944
  H     13.13276302      7.44617387    -15.00563385
  O     14.12066517      4.05170088    -13.67666374
  H     16.94206467      6.63665457    -11.97813646
  H     14.02311508      3.07425141    -10.35191611
  O     16.05222659      7.53979888    -13.18878553
  H     17.57321459      4.97514974    -18.85021929
  H     14.70190614      2.15073002     -9.31042472
  O     18.01740603      3.83642800    -14.37605010
  H     17.99097762      3.85612646    -17.87183156
  H     15.40110112      5.83214701    -16.55542549
  O     12.67674911      3.68755912    -11.29598630
  H     12.35550489      7.01382184    -10.04208383
  H     14.00891194      6.43314459    -16.85426129
  O     19.28117522      8.14957824    -14.58056239
  H     13.70617549      6.30278314    -10.29027432
  H     19.23624968      4.99219040    -13.58024121
  O     17.38495258      2.44811920    -16.68385654
  H     14.22403996      3.65062545    -14.55112594
  H     20.60336745      5.37854413    -12.98002532
  O     18.83975142      6.99521108    -17.03386668
  H     14.93739464      3.88727613    -13.18806793
  H     15.99136111      3.15705097    -11.37615783
  O     16.77666448      6.02480991    -15.43904250
  H     15.09982448      7.40022282    -13.26190212
  H     16.76578796      4.41454927    -11.83961037
  O     13.11361775      7.80128424    -15.90953829
  H     16.28309792      8.42336276    -13.50442237
  H     15.17805699      4.76177098     -9.57002302
  O     14.86607846      2.87749215     -9.90456005
  H     17.53791529      4.57689927    -14.78487493
  H     16.06038671      5.92082478    -10.07941404
  O     14.63552391      5.76320840    -17.14883821
  H     17.49940671      3.55701271    -13.60785165
  H     15.44188157      5.82134583    -18.73616494
  O     19.70070411      5.67570303    -13.07211985
  H     12.54025652      4.61301784    -11.06092791
  H     15.46243435      5.64775061    -20.27180196
  O     16.43011126      3.55569488    -12.13715929
  H     13.01538824      3.69799373    -12.20269664
  H     13.11596378      6.74238310    -12.50157060
  O     15.22572778      5.72369190     -9.63567226
  H     19.28824620      7.80411157    -15.48676276
  H     13.64705742      5.76886798    -13.58843204
  O     16.01018358      5.86942979    -19.52306052
  H     19.46042470      7.39425686    -14.01170931
  H     17.40224664     10.67841708    -14.15149252
  O     13.41422483      6.69578878    -13.41861724
  H     17.77130500      1.57788323    -16.75225849
  H     17.94778722      9.25909784    -14.44069028
  O     17.13243648      9.78720166    -14.35567666
  H     17.70583232      2.83028598    -15.85085100
  H     16.73854601      7.64426250    -19.08796299
  O     17.16335778      8.39717972    -18.66199638
  H     18.35917495      7.59834829    -17.62267099
  H     16.51570990      8.77003212    -18.04499203
          69
 Energy    -248.45900443646752     
  O     20.76110334     11.01375689    -18.06071462
  H     21.11593768     11.92140964    -18.05086982
  H     17.65293117     11.94501749    -18.16927529
  O     16.91029120     18.40340804    -14.06616796
  H     21.37347486     10.48180493    -18.56089555
  H     19.48359438     16.58658205    -18.30691823
  O     22.46281784     14.63431087    -15.50362446
  H     16.61566091     19.29349380    -13.89595215
  H     20.03161248     17.89986529    -18.90456654
  O     14.14050716     14.45026135    -13.80651349
  H     16.98859312     18.31037477    -15.03387317
  H     14.60799600     12.78656552    -13.12920233
  O     16.79244707     11.54571682    -16.53715760
  H     23.36675137     14.72274113    -15.21431936
  H     15.72734612     12.13881681    -12.27887839
  O     17.45096136     12.23362820    -11.42105178
  H     22.09950656     15.53618989    -15.57705568
  H     20.66580745     17.13051825    -14.99108963
  O     15.60212779      9.95497671    -14.53798432
  H     13.31028431     14.91082328    -13.72427139
  H     20.83573263     17.28217109    -16.52432344
  O     21.50069921     13.61372965    -17.95822622
  H     14.82708894     15.02379328    -13.41718906
  H     17.29888512     10.03167767    -13.63894797
  O     18.90556962     14.87260635    -18.33759835
  H     16.33227039     10.92133597    -15.96319500
  H     18.72108686     10.49860680    -13.97534437
  O     16.15735835     15.93537750    -12.88407633
  H     16.38116083     12.41010356    -16.39047151
  H     16.93329671     15.57582557    -18.51350440
  O     20.23923416     13.42023165    -14.28165165
  H     17.52903255     11.86200910    -10.54555846
  H     15.82394041     15.27803244    -17.50353412
  O     18.27440415     12.26227201    -18.83827266
  H     17.77023494     11.55246355    -12.04011057
  H     19.15118185     16.30659786    -13.12700224
  O     19.75791293     17.49176316    -18.08618482
  H     14.95919220      9.25222539    -14.50434495
  H     18.54732597     17.59788428    -13.75896476
  O     14.95666713     11.93982832    -12.82413198
  H     15.28794501     10.65510634    -13.93651798
  H     16.75115327     17.37760654    -17.18339420
  O     21.30350746     17.04715918    -15.71469181
  H     21.89691083     13.96849440    -17.15260469
  H     18.13992065     18.03006969    -17.12992771
  O     18.12938247     10.31392046    -13.23521144
  H     20.70577017     14.13254029    -18.12609320
  H     18.20920631     13.88134709    -11.89316224
  O     16.12636668     15.94209264    -18.13852352
  H     18.70319220     14.91691036    -17.38873024
  H     19.26335852     14.20015019    -12.95247963
  O     19.30149029     16.99489141    -13.78755012
  H     18.65674511     13.98458749    -18.63748079
  H     19.93393601     10.98361304    -16.39120283
  O     17.27819179     18.03065892    -16.70056955
  H     16.99927476     15.50010914    -12.70145596
  H     18.50051910     11.33247185    -15.92377817
  O     18.64079447     14.62051429    -12.34065313
  H     16.35826438     16.80295261    -13.25557042
  H     19.00155417     14.34067786    -15.22835864
  O     19.40095303     11.16422370    -15.60774589
  H     21.06664564     13.76108633    -14.64380788
  H     18.56258681     15.80973808    -15.18106495
  O     18.40226730     14.97799269    -15.63922232
  H     20.04164496     12.57673974    -14.71343493
  H     15.17856305     14.20161640    -15.32728479
  O     15.80188239     14.07619303    -16.05204748
  H     19.07105644     11.73082605    -18.72312467
  H     16.65523450     14.44328922    -15.77523593
          69
 Energy    -248.45880884017669     
  O     17.99813265      8.92922755    -11.18883786
  H     17.58058489      8.11623030    -10.87528836
  H     18.63560142      9.55679307     -9.63537364
  O     14.34253221      9.64667179    -10.14713624
  H     17.30921931      9.53351813    -11.49357258
  H     20.25518406      9.94214423    -13.04138158
  O     19.55785106      3.16579944    -11.21877959
  H     14.98329058      9.36120220     -9.47225776
  H     19.27163608      8.95492994    -12.37617373
  O     21.35813745      7.00688232    -11.78304571
  H     13.60405635     10.02712785     -9.67898139
  H     20.57682920      4.08355855    -12.59113928
  O     18.67725565      5.14517037    -14.82176801
  H     19.57985310      2.23823522    -11.00194743
  H     21.17529097      5.48815343    -12.81341734
  O     22.79982371      8.38264535     -9.79996148
  H     18.73413915      3.32185165    -11.71685733
  H     17.67946813      4.27359327    -13.45705006
  O     16.21407392      8.75280017     -8.38470745
  H     21.96004581      7.42331281    -11.15410588
  H     16.59810530      4.24632984    -12.34465490
  O     20.52898497      7.66897670     -8.16840742
  H     20.94160007      7.71742077    -12.29133237
  H     15.38285267     10.47733574    -11.44044280
  O     17.05556457      6.62223502     -9.95435858
  H     18.80554246      4.73157612    -15.67196333
  H     15.83113763     10.23098592    -12.91444709
  O     18.17975778     12.49292622     -8.82004333
  H     19.50369689      5.01376993    -14.32322216
  H     15.17646520      9.19697627    -15.12886769
  O     18.17114055     12.49221854    -11.61478143
  H     23.70868078      8.53932335     -9.55950556
  H     16.41144036      8.58758110    -14.42401827
  O     18.95101362      9.83005121     -8.75978105
  H     22.38318493      9.25608271     -9.91580491
  H     21.19101953     11.09480112    -10.91249466
  O     19.95877692      9.02485741    -13.06030558
  H     16.45632731      7.90752067     -8.79271553
  H     20.59709870     10.55058118     -9.59519586
  O     20.86479941      4.69790703    -13.27703689
  H     17.04784788      9.21341548     -8.25084680
  H     14.68971274      8.02896983    -12.91930855
  O     17.37316780      3.78299491    -12.68407747
  H     21.38370900      7.85040554     -8.57813448
  H     14.24697997      8.25068754    -11.45347592
  O     16.04727114     10.70961048    -12.10288702
  H     20.19117411      6.88553148     -8.62155735
  H     18.70988818      8.29680789    -14.23507405
  O     15.54626916      9.00965445    -14.27046110
  H     17.93474710      6.21780431     -9.93864908
  H     18.16667334      6.93933381    -14.73402969
  O     21.42542336     10.69555442    -10.06562251
  H     16.45892529      6.03458213    -10.43079864
  H     20.94708226     12.44376752    -13.07592206
  O     14.31545738      7.58487142    -12.14809259
  H     18.56035393     12.99588145     -8.10373182
  H     19.69312386     12.04203002    -12.26311284
  O     17.95184458      7.87689521    -14.66178359
  H     18.44668078     11.57293331     -8.66895082
  H     14.84715260      5.99110824    -11.77317193
  O     20.56539547     11.73189841    -12.57019391
  H     17.38083765     11.98923391    -11.84779172
  H     14.46769256      4.63625333    -11.13271407
  O     15.20446330      5.13469454    -11.47715672
  H     18.14561938     12.60785813    -10.65477380
  H     19.65275769      4.75997571    -10.27661902
  O     19.64604101      5.68319253     -9.99560112
  H     19.47836229      9.09570913     -8.41086279
  H     20.19113600      6.16626269    -10.63353135
          69
 Energy    -248.45878892961258     
  O     -0.86518029      2.80575126      3.49740330
  H     -0.03157081      2.41056176      3.21552956
  H     -0.26782984      8.76167448      1.12659596
  O     -3.25414269      5.07260513     -0.02670953
  H     -1.47517088      2.68933406      2.75443642
  H     -0.39365786      4.41929442     -2.22899916
  O      3.37345296      7.80823657      0.09072796
  H     -3.26229660      5.71942169      0.68923344
  H     -0.62341772      3.08958067     -2.99261062
  O      1.32904787      8.19138977      1.82754944
  H     -2.55583717      5.36238850     -0.63286303
  H     -1.07773998      9.29335897     -2.49550001
  O     -1.07166658      5.85893766     -1.50703075
  H      3.48369272      6.85175487      0.14464153
  H     -0.86497181      8.71808836     -1.07443930
  O      2.97993463      4.95666320      0.01526346
  H      2.99334238      7.96101613     -0.78745328
  H     -1.71658100      0.77336594     -2.32446114
  O      0.40911152      5.76371212      0.76927650
  H      2.12127687      8.19578120      1.26540625
  H     -0.88599374      0.70753994     -1.03194316
  O     -2.79557442      6.91438205      2.08018954
  H      1.54948601      7.71888982      2.63853399
  H      2.47701341      3.42780435      2.66173712
  O      0.09061231      2.11007323     -0.11062175
  H     -0.53759215      5.83647268     -0.69540904
  H      3.16093514      4.49377586      1.80052960
  O     -0.79100722      5.51308027      3.30826319
  H     -1.03752430      6.76550625     -1.83553038
  H     -3.95842060      3.79904132     -1.28285475
  O     -2.33892719      2.70930775      1.13130086
  H      2.06457894      5.15120058      0.27012858
  H     -4.19947041      2.27566254     -1.29155995
  O     -1.10605214      8.81063409      0.64415854
  H      2.96583678      4.87257026     -0.94457405
  H     -2.48640942      2.07315156     -4.44676203
  O      0.04368091      3.60339785     -2.52202809
  H     -0.01742556      5.44592826      1.57315014
  H     -2.84647767      2.54304759     -3.01732482
  O     -0.71788078      8.54797447     -2.02293848
  H      0.71765666      6.65629033      0.98322741
  H      1.91908061      0.97709665      2.27413097
  O     -1.58388548      0.25354446     -1.52115828
  H     -2.10883113      6.43408878      2.57447231
  H      1.11630130      1.92274872      1.35527476
  O      2.92021935      4.28304744      2.71332847
  H     -3.40034272      7.26744140      2.72869666
  H      2.95699178      4.63419213     -3.53719077
  O     -4.07506637      3.04040544     -1.86806384
  H      0.19897693      2.65195193     -0.90185762
  H      1.63425529      4.38765432     -2.77758370
  O     -2.13066956      2.17832233     -3.56844630
  H     -0.74428371      2.37446403      0.30489502
  H      2.25204326      6.54344523      4.82218487
  O      1.52208261      1.84400338      2.23469101
  H     -0.83658890      4.56317255      3.49594590
  H      2.23831135      5.63772137      3.56856644
  O      2.44610673      4.91992044     -2.78340417
  H      0.03355191      5.84956352      3.68039499
  H     -4.38769976     -0.02513030      0.07749397
  O      1.79386968      6.39002847      4.00036285
  H     -2.93345409      2.01352150      0.82455708
  H     -3.09398860      0.44635827     -0.63394923
  O     -3.88504284      0.75074269     -0.15376010
  H     -2.67427963      3.54509471      0.77967231
  H      1.13046030      8.04749573     -2.30761356
  O      2.06059973      7.79954967     -2.36066612
  H     -1.71600867      8.22142227      1.10131729
  H      2.09051189      6.85985107     -2.57429519
          69
 Energy    -248.45877889455824     
  O     -7.36348180      2.85355030      0.13963843
  H     -6.45471887      3.17940764      0.13041477
  H     -5.97367429     -0.31506201      3.02866804
  O     -3.75844027      3.23410390     -2.35511326
  H     -7.62026019      2.84382340      1.07003868
  H     -3.96847948     -0.04781664      3.86436838
  O     -7.66295970      2.57371067      2.93488054
  H     -4.26944906      2.40720033     -2.39443452
  H     -4.35575980     -1.19788522      4.83054396
  O     -3.40148709     -1.76482822      1.50555736
  H     -3.88496822      3.68247918     -3.18689995
  H     -0.29602990      1.92533677      1.64856954
  O     -1.00695250     -0.51516222     -1.94603280
  H     -8.36238489      2.53635351      3.58147768
  H     -1.09566293      0.64019098      1.35202331
  O     -5.11072206      0.85939590     -2.10369123
  H     -7.33362512      1.66358215      2.82199286
  H      1.87573031      0.37277829      1.12117320
  O     -5.02116961     -2.93283919     -0.46593835
  H     -4.01086688     -2.26678651      0.94960417
  H      0.96730171     -0.85546855      0.92399151
  O     -3.61821015     -1.52653537     -2.29771545
  H     -3.79914432     -1.63012543      2.37520995
  H      2.12304852      2.93988798      1.77516684
  O     -1.43903024      2.12490503     -1.21336655
  H     -1.20251017      0.41765020     -1.76928229
  H      1.55212191      2.40678147      0.43899465
  O     -0.86830699     -1.08949509      0.79722465
  H     -0.05788503     -0.56372555     -2.11538422
  H     -8.67227871      0.90031199     -1.97463803
  O      1.82294728     -0.36687221     -1.95540375
  H     -4.86284206      0.75358164     -1.17036098
  H     -7.72344727      1.53296290     -0.92806547
  O     -6.61512969      0.12381841      2.45653899
  H     -6.07424006      0.80694877     -2.11779517
  H     -3.76035452      2.19736538      3.53328222
  O     -4.46067471     -0.88938818      3.93539365
  H     -4.50786511     -2.47758435     -1.15813179
  H     -2.47948731      1.55045219      2.94741544
  O     -1.19373964      1.58480441      1.54315798
  H     -5.09326078     -3.84552107     -0.73295210
  H     -6.57508920     -1.92478451     -0.02433330
  O      1.86301794     -0.52386824      0.76510344
  H     -4.11911640     -0.71157531     -2.43108824
  H     -7.51645388     -0.74268593     -0.37813840
  O      1.55239069      2.27275348      1.40369517
  H     -2.68756360     -1.27099834     -2.26040955
  H     -3.95796860     -0.05540188      0.82564848
  O     -7.84044426      0.77227121     -1.52694343
  H     -1.53172152      2.07367210     -0.25177977
  H     -5.29498134      0.62127701      1.16087613
  O     -3.17237757      1.43158501      3.60764777
  H     -2.19656915      2.59444784     -1.57853497
  H     -4.42802987      2.52141550      0.50899424
  O     -7.30454123     -1.38732846      0.30823017
  H     -0.94420283     -0.99655816     -0.16248958
  H     -4.28289437      3.62650471     -0.55823955
  O     -4.52540430      0.68318485      0.57978617
  H     -1.70536140     -1.45926546      1.10982384
  H     -4.76379368      3.73217495      2.21134406
  O     -4.58884436      3.46303547      0.34031247
  H      1.92141006     -0.48243417     -0.99290127
  H     -5.87975554      3.31906709      3.18142053
  O     -4.93955664      3.52829641      3.13950776
  H      2.55486421     -0.82155082     -2.36304952
  H      0.38679707      2.43650528     -1.39250626
  O      1.35079945      2.40225549     -1.31518608
  H     -6.93229695     -0.50363965      1.78823587
  H      1.60782311      1.54248857     -1.67000538
          69
 Energy    -248.45854358400607     
  O     10.38745142      9.72699196    -11.25065152
  H     10.64717274      8.90599383    -10.79481413
  H     18.13562075      6.38160932    -14.66480480
  O     14.17125842      7.04491890    -15.19234670
  H      9.78826095     10.18863906    -10.67102652
  H     15.25326092     11.72016235    -15.68569078
  O     17.77183798     10.36312057    -11.07136362
  H     14.64351524      6.63836130    -15.92792950
  H     15.86154790     11.77803498    -14.27018214
  O     17.53703546      9.89424918    -16.14306985
  H     14.81798059      7.63463074    -14.77127652
  H     16.66724712      8.92229695    -14.83233527
  O     12.47020223      9.22054723    -15.00517795
  H     17.99484675     11.09537425    -10.50237423
  H     16.66879507      7.89139936    -13.65022043
  O     13.49437442      5.64277378    -12.94012346
  H     16.99605202     10.63675169    -11.58929990
  H     12.24852527      7.44393796    -10.32367777
  O     15.57959551     10.81900138    -12.64212430
  H     17.22373755     10.74810445    -15.80812447
  H     11.03373683      6.70890051    -10.91403396
  O     15.55656897      9.01628076    -17.82257985
  H     18.46137219      9.75763930    -15.90828571
  H      9.99475452      5.18088617    -12.75729656
  O     15.92369289      4.30470778    -12.87938589
  H     12.84154353      9.86746575    -15.61804493
  H     10.49425051      6.61705028    -13.04314575
  O     19.99861103      8.88312619    -15.33169450
  H     12.96656240      8.40199976    -15.14772413
  H     18.96805798      7.83606635    -12.62767688
  O     16.00902588      6.24121833    -17.15108342
  H     13.66702386      6.07950233    -13.78838898
  H     18.95112859      9.29939200    -12.14169235
  O     18.27374386      6.54027818    -15.60589548
  H     12.53699392      5.57697271    -12.83840255
  H     17.31057868      6.88165474    -11.92891604
  O     16.04104442     11.98754753    -15.19574206
  H     14.64087427     10.75417613    -12.42516669
  H     17.07636946      5.66556683    -12.85585864
  O     16.14702478      8.56987033    -14.09652055
  H     15.78103849     10.01400283    -13.14769039
  H     17.03682628      8.65214684    -10.54952087
  O     11.28798458      7.36252838    -10.25088747
  H     15.61235822      8.05810159    -17.75042143
  H     15.75336850      7.78022826    -10.62584241
  O     10.71588500      5.78225496    -12.59225905
  H     16.34349457      9.34694035    -17.36177150
  H     13.52154972     11.41408794    -17.49960495
  O     19.43424248      8.67782642    -12.69982907
  H     15.87595650      3.47504070    -12.41041505
  H     14.41469980     10.18755768    -17.20724796
  O     17.56476209      6.49816669    -12.78590436
  H     15.02867850      4.67862071    -12.85605576
  H     13.67830252      8.53465976    -11.56100655
  O     16.71754684      7.74266284    -10.55073735
  H     20.93463477      8.96993665    -15.48822525
  H     13.86900272      6.99939927    -11.72828392
  O     13.86139959     10.87316848    -16.79083956
  H     19.87407768      8.86774166    -14.36559774
  H     12.08280540     10.10111159    -11.95213195
  O     13.97142231      7.73337433    -11.10663756
  H     16.82633193      6.33851516    -16.63222598
  H     12.78980764      9.80030046    -13.30001340
  O     12.94658955     10.05202381    -12.37833190
  H     16.13635431      5.48219783    -17.71417550
  H     10.11669530      8.81158593    -12.93121088
  O     10.19067013      8.21184799    -13.68395877
  H     18.89968192      7.27200796    -15.65695787
  H     10.87169405      8.58628399    -14.25842626
          69
 Energy    -248.45851804530761     
  O     11.96703876     12.47628002    -13.45922450
  H     11.38630021     13.18989740    -13.21112774
  H     17.88754625      6.31129160    -13.10864291
  O     18.65387004      9.76034105    -12.65248513
  H     11.44078753     11.85206418    -13.99497630
  H     19.52130895     12.23574527    -15.00606532
  O     15.85328949     10.28911036    -12.23052697
  H     18.89723133     10.28437822    -13.42311236
  H     18.09430926     12.06989647    -14.43419545
  O     10.69698557     10.61425031    -14.89251378
  H     17.75358146     10.03220183    -12.43647448
  H     12.25844611      9.58813307    -17.65424017
  O     13.67764813      7.60622932    -15.30362656
  H     15.67834727     10.08725836    -13.16628009
  H     12.47738359     11.10757559    -17.61052299
  O     14.68856581      6.20577877    -13.14719357
  H     15.86366354      9.44322563    -11.75897420
  H     14.70095211      9.03934289    -15.01402331
  O     18.60947786      7.25463018    -11.61884861
  H     11.02534431     10.54410551    -15.80182348
  H     16.01183070      9.78251137    -15.42150197
  O     14.26856340     12.38334956    -15.07486161
  H     10.85941711      9.76107562    -14.47285506
  H     13.94457340     13.19712825    -18.19138230
  O     18.28599980      7.22852693    -16.16278798
  H     13.51198774      7.68114911    -16.25160235
  H     14.09062878     12.45168755    -16.84456534
  O     15.87828902      7.75026265    -11.14612748
  H     12.88978919      7.89341066    -14.81899406
  H     13.06175564      8.97312812    -10.57515702
  O     15.37211356      9.91624478    -18.41136117
  H     14.41819125      6.63348521    -13.97330277
  H     14.21177419      7.99340431    -10.27486052
  O     17.43818784      5.96115602    -13.88763672
  H     13.87072439      5.99814901    -12.67980158
  H     16.41286237     12.08049938    -12.90893854
  O     18.83273151     11.59382664    -14.85348794
  H     19.39637716      7.05837566    -11.11808933
  H     15.87328990     12.79718838    -14.15082817
  O     11.84048490     10.41697373    -17.39345988
  H     18.73947191      8.13428591    -12.01684948
  H     13.98379484     10.46303190    -11.97819966
  O     15.24455721      9.81580795    -14.83370226
  H     13.48103154     12.49465284    -14.52770429
  H     12.64274197     11.16261374    -12.31030447
  O     13.96669726     12.32751716    -17.80036122
  H     14.53325844     11.45132601    -15.01467621
  H     18.00919101     10.39883698    -16.04275766
  O     13.26109642      8.12585517    -10.15659979
  H     17.97535269      6.76832298    -15.36576529
  H     17.78258023      8.89010262    -16.40421153
  O     16.66336847     12.70240542    -13.60225107
  H     18.68378335      6.55786093    -16.71174553
  H     12.20627442      9.05989039    -12.94770284
  O     13.02520148     10.37258381    -11.90817937
  H     15.48227335      7.22726395    -11.85972904
  H     11.72374366      7.59166768    -12.94367796
  O     17.42643832      9.78717858    -16.50729507
  H     16.81408853      7.51680165    -11.12406261
  H     11.65897019      5.55890805    -11.27134136
  O     11.74956397      8.39252979    -13.48066570
  H     16.16119451      9.89118446    -17.85363940
  H     12.52063303      6.83125299    -11.08013314
  O     12.20052368      6.18861851    -11.73903985
  H     14.97527522     10.78723723    -18.28659720
  H     13.30994981      7.54591107    -18.80152986
  O     13.40834045      8.09732892    -18.03023868
  H     16.50573168      5.88733356    -13.65210171
  H     14.15585936      8.69788114    -18.20609746
          69
 Energy    -248.45836000732359     
  O     12.41937889     12.54634144    -13.19955514
  H     12.20166193     13.47339089    -13.14380204
  H     18.87385948     12.43195185    -17.13600601
  O     19.23579328      9.62314966    -12.37730743
  H     13.21355053     12.47699727    -13.75687387
  H     13.67215232      9.63472431    -17.21893061
  O     15.70286774     10.34224731    -11.21277675
  H     19.07169920      9.61726269    -13.33246335
  H     12.73696199     10.55198843    -16.41249016
  O     11.45303753     10.56998361    -15.09618660
  H     18.88729210     10.46207446    -12.05732745
  H     16.68956707      9.76697761    -14.24378681
  O     13.90967821      7.95802083    -14.62262511
  H     15.93847371      9.43381714    -10.97198979
  H     15.80234018      9.96574711    -12.97043351
  O     14.58675505      6.09688589    -12.71715394
  H     16.48893178     10.90169450    -11.19716326
  H     13.10288246      8.92275271    -10.17035173
  O     18.57065414      7.10078838    -11.72758911
  H     11.34306195      9.81208647    -14.50895750
  H     14.25275480      7.91861377     -9.93229069
  O     14.56388101     12.10120562    -14.85103298
  H     11.59886510     11.31572264    -14.50228388
  H     18.51291917     10.47493485    -15.50649602
  O     15.98127928      7.62723923    -10.80766332
  H     13.10653308      8.21362903    -14.14983164
  H     18.05301666      8.98709468    -15.59819228
  O     16.34813086     10.55836911    -17.52771903
  H     14.59351239      8.61676017    -14.42592285
  H     17.62979711     12.81681819    -14.86087404
  O     17.08302664      6.37894268    -14.12234535
  H     14.37346558      6.70348053    -13.44308792
  H     16.20056621     12.91658417    -14.32489378
  O     18.31335992     12.06808813    -16.45616910
  H     13.74551984      5.91933597    -12.28126542
  H     18.25212212     12.75504492    -11.12960871
  O     13.52173589     10.55828727    -16.98246592
  H     19.33423977      6.62107210    -11.41829484
  H     17.63179417     12.41921697    -12.50499554
  O     15.78145643      9.83050909    -13.92639839
  H     18.86607179      8.01006069    -11.91503497
  H     12.68862217     11.22735347    -11.87999202
  O     13.30221720      8.04533494     -9.81973348
  H     15.01185492     11.31974150    -14.48935843
  H     13.91873823     10.48920018    -11.30309323
  O     18.41831255      9.65654054    -15.00317658
  H     14.19407338     11.79159064    -15.68654298
  H     16.97204535      7.27067820    -15.70423057
  O     17.12365587     13.03445829    -14.06797375
  H     16.90903606      7.40959860    -10.96438917
  H     16.04014213      7.68284339    -16.86660565
  O     17.89072920     12.03962318    -11.64641074
  H     15.48572234      7.11212299    -11.46076937
  H     11.65187254      7.74534730    -12.57676471
  O     12.95412960     10.44269886    -11.38445336
  H     16.53631731      9.64875994    -17.26818590
  H     12.12376269      9.21592731    -12.45780563
  O     16.90709726      7.85175483    -16.47993772
  H     15.39487549     10.67043318    -17.43624315
  H     11.44972554      5.67143087    -10.95146025
  O     11.72559448      8.57377315    -13.06503480
  H     17.67929689      6.60606264    -13.39923198
  H     12.43822130      6.84682691    -10.76071104
  O     12.03845925      6.25419845    -11.42322225
  H     16.28077610      6.06267695    -13.69059699
  H     13.99680336      7.74180366    -16.33119997
  O     14.16633838      7.76394972    -17.29112601
  H     17.57537630     11.61977804    -16.90891002
  H     13.63949459      7.07292961    -17.68417347
          69
 Energy    -248.45799896924589     
  O     -4.50070388      3.80643223      2.82879084
  H     -5.26337777      3.56566027      3.34939032
  H     -4.40451902      3.12671222     -1.70750117
  O     -2.86523907     -2.28189350      0.07593936
  H     -4.23522711      3.00972836      2.33976568
  H     -0.80339216     -1.24101770     -2.26185720
  O     -1.84716440      4.56728398     -2.24575286
  H     -3.35492033     -1.94213798     -0.68210402
  H     -1.10895836      0.17892669     -2.81198623
  O     -3.64521819      1.51924200     -1.43223321
  H     -1.96316525     -2.42070510     -0.24105911
  H     -0.91604481      1.94867157      4.25427408
  O      1.50729776      4.64041922      3.09401584
  H     -1.57958852      5.02609366     -1.43800935
  H     -0.62872167      2.81019171      2.98056714
  O     -1.16251937      3.07849329      1.28759317
  H     -2.81057107      4.55588401     -2.22561493
  H     -1.13395990      6.13290694      3.26632659
  O     -1.88321061      0.49326290      4.60707464
  H     -3.88569185      0.63603444     -1.73823427
  H     -0.50702020      7.54395050      3.16596366
  O     -3.92762836     -1.10637656     -2.33379033
  H     -2.71647095      1.65897430     -1.67126536
  H     -3.70870952      1.62095391      0.36686849
  O     -2.13743312     -0.53533766      2.05027797
  H      0.95268532      5.41375099      2.93818991
  H     -3.15587124      0.89372755      1.62717926
  O      0.49916811     -0.34404620      1.10838063
  H      0.95133166      4.01665135      3.57852403
  H     -1.61185434      4.17308526      4.21669475
  O      1.82022941      0.91686098      3.15490426
  H     -2.01850211      2.63640367      1.24262190
  H     -2.98133612      4.61574297      3.67128489
  O     -4.68171481      4.05240739     -1.80305373
  H     -1.27671373      3.98564164      0.97116370
  H     -0.25333692      1.95327774     -1.62831514
  O     -1.31836176     -0.75905837     -2.92068433
  H     -1.89559971     -0.17597461      5.28713368
  H     -1.22540932      2.88978569     -2.38219993
  O     -0.38532823      2.68330360      3.91247531
  H     -2.03295526      0.02791199      3.76900838
  H     -4.49001130      5.05442674     -0.20110853
  O     -0.48709572      6.67339752      2.77740779
  H     -4.40814765     -1.56410116     -3.01792891
  H     -4.42796996      5.00943486      1.34764522
  O     -3.58658014      1.70446798      1.32234410
  H     -3.00321909     -1.03185362     -2.63789274
  H      1.68567106      2.38452699      0.20421316
  O     -2.16244125      4.94903977      4.05749796
  H     -2.51910519     -1.20590601      1.46525094
  H      0.14691922      2.44611910      0.31410124
  O     -1.00451429      1.95709090     -2.23628869
  H     -1.21950053     -0.42422863      1.76705659
  H      0.53779611     -2.93170609     -0.82371714
  O     -4.20428179      5.54752400      0.57878054
  H      0.99691355     -0.11995715      1.90694442
  H      0.17502821     -1.62689279     -0.08182317
  O      0.87376980      2.05660798     -0.20010727
  H      0.60814877      0.42400055      0.52967606
  H      3.84669417      3.29019903      1.39456737
  O     -0.11718507     -2.23953293     -0.77714576
  H      1.13100663      1.45073454      3.56688514
  H      2.47933152      3.66064595      2.01321935
  O      2.94337348      2.99559458      1.47368110
  H      2.34428296      1.53863342      2.63391979
  H     -2.45090932      5.73564402      0.44741208
  O     -1.48771253      5.65415819      0.34873973
  H     -5.36065505      4.06801436     -2.47334488
  H     -1.08214367      6.14553718      1.07208135
          69
 Energy    -248.45795179119779     
  O     16.07985252      4.85504788    -13.05159357
  H     16.06563221      5.82116305    -13.15141271
  H     19.35724217      6.29762943    -16.44702448
  O     14.98172126     11.37890466    -11.47045996
  H     15.20269921      4.59490093    -12.74735718
  H     15.82565326      9.89307437    -15.68051128
  O     17.18717715     11.62150655    -13.34906609
  H     14.25229354     11.38339997    -12.10429885
  H     16.06378566     11.13686265    -14.78993955
  O     11.07520107      7.82245464    -15.72864528
  H     15.76456167     11.56812927    -12.00000498
  H     16.12900944      7.85558852    -14.28994445
  O     17.70997466      8.15599755     -9.71980635
  H     17.56775893     10.80099695    -12.99107572
  H     15.15282062      7.94942202    -13.07410623
  O     12.76613080      6.31305310    -14.02680757
  H     17.88309120     12.27403964    -13.34295324
  H     14.79007378      7.02191795    -10.04922296
  O     13.24552483     10.90940991    -13.66075509
  H     11.51508453      7.22013105    -15.11517776
  H     15.83950560      5.93633554    -10.32611382
  O     13.27082760     10.36428049    -17.23487542
  H     11.52879954      7.71723282    -16.57424124
  H     17.25793693      5.25052149    -11.67281465
  O     16.66753748      4.72173460    -15.77389240
  H     18.17546001      8.09765913     -8.88934063
  H     18.50902080      6.11238024    -11.69704352
  O     16.43219108      8.22907977    -16.03466121
  H     17.78218984      7.28285995    -10.14335654
  H     13.08852731      3.79166815    -11.49029284
  O     14.40815014      6.35696654    -16.32756414
  H     12.87245299      5.56987810    -13.42297216
  H     13.89531897      5.08935572    -11.25651142
  O     18.67970174      6.53284785    -15.81802785
  H     12.95032525      7.09754918    -13.48661990
  H     17.30695097      8.66033034    -12.64749144
  O     15.43408323     10.73343728    -15.40028637
  H     12.43148461     10.87824757    -14.17823544
  H     18.02851686      9.06514284    -11.34719645
  O     16.02346034      7.63998715    -13.35452932
  H     13.98157473     10.86086697    -14.28845424
  H     19.24779980      6.73610279    -13.96647766
  O     14.90025814      6.07002013    -10.16448752
  H     12.50973872     10.56475192    -16.67530997
  H     19.18502564      7.81633434    -12.87738526
  O     17.81840197      5.78748571    -11.09729927
  H     14.05152681     10.61198495    -16.72470724
  H     13.00135665      8.73976605    -17.82700663
  O     13.49809251      4.52438061    -11.94297956
  H     16.51254663      4.57477099    -14.83007704
  H     12.56716863      7.80162680    -18.97940062
  O     18.00048229      9.24212631    -12.29500403
  H     15.85979680      5.13623799    -16.10368167
  H     14.98776573      9.84549597    -10.50517087
  O     19.46655684      6.90802775    -13.04276979
  H     17.27815218      7.76381021    -16.06332253
  H     15.91251268      8.74115016     -9.94675224
  O     12.76679577      7.82030163    -18.04747963
  H     15.73786859      7.58565354    -16.24324726
  H     11.00940907      9.54718150    -15.44762889
  O     14.99297591      8.93673998    -10.16467138
  H     13.85030458      6.75542049    -17.00794996
  H     10.19815941     10.86551968    -15.45456898
  O     11.08238643     10.51650280    -15.38435600
  H     13.87201276      6.29642315    -15.52463936
  H     13.34936828      9.30967417    -12.87075199
  O     13.50930522      8.43940760    -12.47951419
  H     18.02455889      5.81131721    -15.82981140
  H     13.89725906      8.58134229    -11.60622013
          69
 Ord_Energy   -248.457596    
 O   -3.49309039      -1.25557053       7.68062401    
 H   -4.29142380     -0.725550592       7.50013733    
 H   -3.79410553      -2.12158680       7.94287062    
 O   -5.16857195       5.49977398       2.36102057    
 H   -5.56532240       6.14386845       2.96017766    
 H   -5.12560892       4.67108631       2.85722256    
 O   0.631323516       1.65919149       8.74914932    
 H  -0.247185126       1.25257766       8.84599304    
 H    1.14366376       1.38913953       9.50697327    
 O   -6.17970133       7.23097754       4.39157009    
 H   -5.35206270       7.68212175       4.64160109    
 H   -6.85945272       7.89814997       4.36205673    
 O   -5.56306410       5.01174355       6.03061056    
 H   -5.92927074       5.76453829       5.55163050    
 H   -5.24647570       4.38936138       5.35702085    
 O   -2.58621049       5.70871782       1.56558478    
 H   -3.53535843       5.69498777       1.78490329    
 H   -2.52336049       5.81414366      0.620358586    
 O   -3.48300147       2.85470986       10.1065292    
 H   -2.97367454       2.05887532       9.91586685    
 H   -4.18030024       2.88308477       9.43424988    
 O  -0.326102614       4.21438694       7.88437891    
 H    9.62630436E-02   3.43574786       8.26409245    
 H  -0.884489179       4.61040258       8.56826782    
 O   -2.99983478     -0.739349902       4.85496569    
 H   -3.00715065     -0.982601047       5.78723621    
 H   -2.29141450      -8.97587836E-02   4.73550272    
 O   -2.29079294       5.23894835       9.61265087    
 H   -2.72584486       4.40264082       9.85538006    
 H   -2.28080726       5.78272104       10.3960752    
 O   -1.22400451       1.37181437       4.62177086    
 H  -0.330583066       1.38950002       4.99335623    
 H   -1.34664905       2.16064787       4.07519817    
 O   -3.29148769       6.24443388       7.10587072    
 H   -3.06967211       5.94940758       7.99530888    
 H   -4.08676147       5.77234983       6.82056141    
 O   -5.60174942      0.317044556       7.02573395    
 H   -5.63789034      0.408031583       6.06595755    
 H   -5.53657961       1.21768236       7.37083292    
 O   -2.42450619       2.60467386       6.80899954    
 H   -1.76504540       3.26497436       7.05509567    
 H   -2.09345531       2.14880753       6.02424717    
 O    1.19316494       1.47939706       5.96249771    
 H    2.04487276       1.87851405       5.79727364    
 H    1.07432616       1.49096513       6.92229986    
 O   -1.90846300       3.80486536       3.51776624    
 H   -2.04392004       4.37112665       2.74811292    
 H   -1.60492277       4.38128376       4.23517942    
 O   -4.63567305       3.31358004       4.05892563    
 H   -3.68397880       3.39871645       3.91335821    
 H   -4.85628128       2.37449074       4.07432461    
 O   -1.66492307       7.53498507       3.59713745    
 H   -1.26953399       6.91946459       4.22735739    
 H   -1.93300998       6.99678564       2.84266043    
 O   -5.00409889       2.94134545       7.77878571    
 H   -5.42078257       3.67545629       7.31141901    
 H   -4.13003254       2.83218908       7.37032652    
 O   -1.95135796      0.775090158       8.81453133    
 H   -2.40679073      -3.48015390E-02   8.55322170    
 H   -2.15145516       1.41747677       8.11506271    
 O   -5.26300001      0.576928079       4.18500376    
 H   -4.44981098       6.76247627E-02   4.35449743    
 H   -5.75818443       9.50120986E-02   3.52757359    
 O   -3.82921743       8.27643681       5.18907309    
 H   -3.60972643       7.76264334       5.97601700    
 H   -3.08762383       8.15267754       4.57877541    
 O   -1.11101723       5.51476288       5.54872131    
 H  -0.555385113       5.14054012       6.24218082    
 H   -1.91045535       5.81601429       6.00718307    
          69
 Energy    -248.45708686417350     
  O     18.06103428      8.48115288    -12.58267947
  H     17.27684635      9.05519551    -12.60455199
  H     17.18452339      8.20675000     -6.12263835
  O     11.88578483     10.05376128    -11.76456383
  H     18.52452596      8.72946412    -11.77232799
  H     14.22325536      8.59195350    -10.21951712
  O     19.08240926      9.36976764    -14.95729692
  H     11.12807486     10.54643178    -11.46049503
  H     13.39565787      9.83968568    -10.62814970
  O     16.39295251      6.28945732    -12.10646711
  H     12.31172007     10.59399689    -12.45526257
  H     19.15662331      7.99670138     -9.17907302
  O     18.95858416      9.53422766    -10.18872320
  H     19.66809061      8.73905790    -15.36807931
  H     18.69412270      6.51494509     -9.12026646
  O     19.81357422     12.05165859    -11.06806554
  H     18.75988009      8.96056259    -14.13657246
  H     16.05111563     12.87956901    -11.88254777
  O     16.56134500     10.27416253     -8.90975485
  H     16.85752150      5.74995181    -11.45340557
  H     16.11990212     13.02757864    -13.44152686
  O     12.10029583      7.30872580    -12.31946040
  H     16.99892532      7.00871825    -12.33174650
  H     17.89368025      4.15135708     -9.71963505
  O     16.82037356     10.75266166    -16.04437259
  H     19.38518564     10.36047390    -10.44799564
  H     16.93504638      5.28019667     -9.27140137
  O     14.33318784      6.77386029    -14.11690374
  H     18.10841053      9.78312704     -9.79668247
  H     15.86644234     10.99104773    -12.53543150
  O     14.67025224      9.42839654    -14.85372605
  H     20.56977661     12.60386959    -10.88901830
  H     15.31022405      9.82108509    -11.68615711
  O     16.96285226      8.17909382     -7.04989567
  H     19.71191388     12.01922581    -12.03639011
  H     19.42378552     11.08245769    -14.18792272
  O     14.23047696      9.56060306    -10.23539384
  H     15.70113552     10.08809767     -9.31155884
  H     18.73392413     12.45974357    -14.13362431
  O     19.00633955      7.25080837     -8.58107909
  H     16.65150535      9.65877989     -8.17123405
  H     17.01298321     12.34719877    -15.40981196
  O     15.55492376     12.75548776    -12.70677293
  H     11.98363953      8.26172716    -12.18235787
  H     17.16977948     13.87462664    -15.61204869
  O     17.64687907      5.05529130     -9.89794632
  H     11.23970075      6.95425978    -12.53148072
  H     13.39958435      6.82816207    -11.05157589
  O     15.87194771     10.02881347    -12.44226875
  H     16.02962146     10.25938496    -15.78667871
  H     14.94394840      6.64921073    -11.08008585
  O     19.43825191     11.93396296    -13.73505590
  H     17.57589345     10.20937037    -15.78939478
  H     16.86028504     11.97723547     -9.79064624
  O     17.19324311     13.18856851    -14.95061979
  H     15.04725432      6.48228795    -13.53718716
  H     18.01691045     12.56795759    -10.60981158
  O     14.18919059      6.82494030    -10.49741324
  H     13.55947958      6.88707047    -13.55226290
  H     13.56211210     10.84526022    -14.23954325
  O     17.07840138     12.67946075    -10.41556384
  H     14.51195797      8.47626754    -14.81524367
  H     13.89299094     12.04816268    -13.32184724
  O     13.16830188     11.49188714    -13.63776307
  H     15.09802366      9.63767516    -14.00865599
  H     14.99570627      6.23000486     -8.92616564
  O     15.64546140      5.92975193     -8.27579678
  H     17.74609653      7.83295008     -7.51569192
  H     15.94284919      6.71231623     -7.79619983
          69
 Energy    -248.45646720018831     
  O     12.75948907     11.51243687    -17.00806418
  H     13.51150091     11.28728910    -17.57069796
  H     15.90034889     10.91772071    -16.93679938
  O     18.71533748     10.10606587    -10.56259756
  H     13.12993342     11.86925604    -16.19149283
  H     15.77766210      8.85359725    -13.61571570
  O     17.95192005     12.21860226    -14.15887672
  H     18.67725975      9.14238174    -10.60210205
  H     14.96409385      8.00766264    -12.61336441
  O     14.46565603      8.93789370     -9.52165411
  H     19.20840606     10.38103874    -11.34686342
  H     11.75147072     10.08320386    -17.06341628
  O     14.48205322      6.20536515    -12.55270023
  H     17.47058179     11.85892406    -14.91569231
  H     10.49819574      9.34899011    -17.60009584
  O     12.85978748     10.20821406    -12.96898133
  H     17.28263847     12.59118264    -13.57330609
  H     17.53255227      6.99422889    -10.69018424
  O     13.81419065      8.02989928    -17.87559712
  H     14.95672331      8.12466029     -9.67999690
  H     19.02379678      6.61007292    -10.63558416
  O     15.84860122      6.43955282    -10.22150332
  H     15.02672717      9.65643455     -9.84348062
  H     11.74391468      7.19499965    -13.04904685
  O     16.57739907      8.47720487    -15.16194659
  H     14.56138365      6.14256541    -13.51243357
  H     11.78152169      7.59363566    -11.55616066
  O     14.42430687      6.73198252    -15.34579221
  H     13.53857389      6.31769573    -12.35193145
  H     15.76051051     13.81466344    -11.91446965
  O     19.92615541     10.75224740    -13.04951927
  H     12.42603797     10.02462838    -12.12729587
  H     15.85606927     12.27288978    -11.86897567
  O     16.20784873     11.08504745    -16.03690970
  H     13.73111965      9.78250215    -12.91721909
  H     19.28040125      9.04580143    -13.50877290
  O     15.26202607      8.90586839    -12.80009177
  H     14.06599340      7.43499005    -17.16020814
  H     18.67063120      7.82751362    -12.79293484
  O     11.31039137      9.21643855    -17.11922259
  H     12.90368799      8.29684175    -17.69610902
  H     17.02386769     10.61794181    -10.73305657
  O     18.42020725      7.27836277    -10.95418729
  H     15.38637273      6.25272961    -11.05736385
  H     15.85324077     10.09872773    -11.61638247
  O     11.86876418      6.84308238    -12.15615595
  H     15.61994066      5.73338513     -9.62116814
  H     15.23909619     10.44155572    -19.36749768
  O     15.78418344     13.03695532    -12.46642929
  H     16.55055588      9.36971923    -15.52988485
  H     14.64088147      9.52079123    -18.27714019
  O     18.83226227      8.20459500    -13.66527422
  H     17.43908848      8.33910823    -14.73886914
  H     11.34549423      9.46788645     -9.81232508
  O     16.09169278     10.76534999    -10.95366147
  H     13.64228127      7.24946233    -15.10145971
  H     12.82140490      9.10496526    -10.09839307
  O     14.98610058     10.41537830    -18.44887681
  H     15.19306990      7.32390998    -15.33467939
  H     13.52494689     11.50522965    -14.01793856
  O     11.94332079      9.20556805    -10.50710889
  H     19.24102064     11.30858220    -13.46206919
  H     14.60504238     12.59084499    -13.89063906
  O     14.06635494     12.11819011    -14.53704530
  H     20.76707783     11.13693600    -13.28062704
  H     12.27518845      8.93230992    -14.12962109
  O     12.06063231      8.14577416    -14.65084043
  H     15.44572612     11.41206654    -15.53751227
  H     11.67674066      8.45858193    -15.47866142
          69
 Energy    -248.45631233595051     
  O     14.05849219      8.60598262    -10.55601654
  H     13.97217101      9.40826160    -11.08982151
  H     14.67527952      5.12272526    -15.68470215
  O     14.11056618     11.94970459    -15.77044266
  H     13.31219037      8.02753687    -10.76020639
  H     16.85435917      4.28457856    -11.14704205
  O     16.98648644     10.62961784    -12.38684484
  H     15.05176450     11.90261423    -15.97786270
  H     16.85517666      2.82091932    -11.64818737
  O     12.96389942      4.80454758    -14.91550498
  H     14.04086020     12.52143012    -14.99628379
  H     12.86757243      5.95078861    -11.60032512
  O     16.15414823      7.71006587     -8.91059982
  H     17.33256659     10.35080015    -11.53088085
  H     11.56724354      6.17741118    -10.79546655
  O     16.87958739     13.15362423    -13.62590712
  H     16.02180861     10.57166676    -12.35304400
  H     18.74557012      6.35257311    -14.39739718
  O     15.66114076      7.25696715    -12.42028894
  H     12.55364680      5.67016812    -14.73499555
  H     20.14775373      6.87447637    -14.78679335
  O     14.16351610     10.65785080    -12.39976538
  H     12.30757998      4.27729974    -15.36262228
  H     15.16423364     13.40056352    -13.33771762
  O     18.37517687      7.41531242    -11.78668962
  H     15.34166465      8.01962811     -9.33270603
  H     13.90118224     14.21524877    -12.96549117
  O     18.13709326      9.51096746    -10.07183620
  H     16.80885954      8.38768398     -9.11353032
  H     13.45734969     10.33756061    -15.25337436
  O     17.72273369      4.97811968    -14.24589296
  H     16.99836793     12.87129089    -14.54143284
  H     14.11911599      8.96059377    -14.99052545
  O     15.57267759      5.39642388    -15.90509377
  H     17.05880948     12.36575611    -13.09374466
  H     17.39225499     11.02385230    -15.76560393
  O     16.56459095      3.70103061    -11.87218199
  H     15.21230932      6.40290673    -12.45018606
  H     17.43825231     11.96759217    -16.98607484
  O     12.22018605      6.62390368    -11.32936880
  H     15.19597818      7.78283735    -11.75705892
  H     12.28418281      8.03396735    -14.40118902
  O     19.31590805      7.14454857    -14.40728446
  H     14.06634030     11.60581559    -12.55215873
  H     11.89419150      7.14838935    -13.18923798
  O     14.19699795     13.35033008    -13.23528447
  H     13.83927937     10.21621601    -13.19817915
  H     14.88740913      4.34472064    -12.20386578
  O     13.33360191      9.49396292    -14.79542803
  H     18.85825815      7.32661440    -12.61499480
  H     13.79018121      4.72825917    -13.26099748
  O     16.99160913     11.81766654    -16.15621680
  H     17.43358571      7.32957747    -12.00815992
  H     16.88888389      6.09850180     -9.50869489
  O     11.91217785      7.17668475    -14.15237087
  H     18.34026597      8.75158479    -10.64713665
  H     17.98391424      6.00506738    -10.56717076
  O     14.11364734      4.90034377    -12.36594340
  H     18.94591835      9.74111307     -9.62112211
  H     15.64978058      7.75297040    -14.13333299
  O     17.41519576      5.45905355    -10.00939702
  H     16.98520656      5.02564745    -14.87393902
  H     16.43048317      8.61638722    -15.14416014
  O     15.65165476      8.05595555    -15.05484525
  H     17.39186010      4.52030393    -13.46761756
  H     17.69546440      9.90549081    -13.90781471
  O     17.95880553      9.61479256    -14.79508050
  H     15.58575974      6.35618580    -15.78128081
  H     18.49852183      8.82055589    -14.69916959
          69
 Energy    -248.45628465777608     
  O     13.11742362      1.43666659     -8.16567322
  H     12.72163603      1.45599555     -9.05076936
  H     11.10210252      3.99567992    -14.02177604
  O     12.14909764      1.79662224    -10.74575301
  H     12.94360145      0.56570064     -7.81771280
  H     10.92473931      7.88948107    -14.03742595
  O     14.12965253      4.30547360    -16.32834955
  H     11.94293476      2.73995551    -10.65638725
  H      9.62781310      8.66463389    -14.36488999
  O     16.61173127      2.82451102    -10.52138564
  H     11.52677704      1.44840983    -11.39476914
  H     12.36425132      5.93374375    -13.59200899
  O     11.55757729      4.46609229    -10.69269464
  H     13.45708350      3.62260500    -16.42608921
  H     13.16715077      4.61882475    -13.41931183
  O     10.47033896      1.10562574    -12.89458745
  H     14.50788134      4.17851891    -15.44728242
  H     14.60041253      4.23055742     -8.58130047
  O     14.59591777      1.64328491    -12.13584144
  H     16.10449104      2.99522069     -9.70552868
  H     14.40498590      2.73610757     -8.20545353
  O     14.81724415      3.97749780    -13.63575226
  H     17.47737777      2.53014793    -10.25211051
  H     13.64855324      0.88370309    -13.61132425
  O     14.52775499      7.87263382    -12.31455077
  H     10.65166780      4.76781570    -10.55694441
  H     12.13469041      0.65043890    -13.77342134
  O      8.75846049      5.41656367    -13.33556432
  H     11.81416020      4.72693108    -11.59117447
  H     13.50853009      6.60396835     -9.47281349
  O     12.61604306      7.60431521    -14.24959509
  H      9.63994202      0.64444601    -12.98113009
  H     12.93549485      5.21071823     -9.80455233
  O     10.46044010      3.39850337    -14.43911617
  H     10.38632014      1.93087099    -13.40132031
  H     12.52796216      1.64004572    -15.67232491
  O      9.97706070      7.96006825    -13.82525664
  H     15.33524951      1.92167750    -11.58017636
  H     12.06575845      1.67663558    -17.14742144
  O     12.30680134      5.02982708    -13.25879852
  H     13.79997935      1.69159730    -11.58774195
  H     16.20272348      4.60865878    -11.14877099
  O     15.07319251      3.40833350     -8.39965431
  H     15.19350344      4.56832927    -12.96900310
  H     15.01628783      5.49803508    -10.74394446
  O     12.96576926      0.68212587    -14.26325728
  H     14.75567546      3.10746824    -13.21933408
  H      8.13562545      5.36971466    -10.20840929
  O     13.71512491      5.66185693     -9.44931204
  H     15.08887942      7.12018892    -12.09398323
  H      8.81891996      5.43611458    -11.59791576
  O     12.15671239      2.21496877    -16.36532702
  H     14.05476806      8.09968347    -11.50363408
  H     12.05455216      8.19937069    -10.33046437
  O     15.70505278      5.39088843    -11.41666584
  H      9.20328887      4.71744014    -13.82950318
  H     12.93015052      9.11903531     -9.44798791
  O      8.97405115      5.51118879    -10.63852353
  H      9.14719671      6.25442634    -13.62022389
  H     14.34277498      7.30872528    -17.27666044
  O     12.95022996      8.32021659     -9.96832252
  H     12.99688307      7.44706488    -15.12606159
  H     13.84387197      6.01401893    -16.61358568
  O     13.68318844      6.97140461    -16.67657136
  H     13.33384299      7.78587676    -13.62479613
  H      9.93522105      7.17014561    -10.74527512
  O     10.46866414      7.92845893    -11.01008488
  H     10.89621586      3.05836857    -15.23046535
  H     10.28709125      8.05254832    -11.94956019
          69
 Energy    -248.45619296283220     
  O     12.10944790     11.30779566    -15.49403317
  H     11.51533228     10.73072926    -14.98848463
  H     18.82898545     10.78539014    -12.95148735
  O     16.00781151      7.43476543    -13.33222243
  H     12.75362387     11.63015473    -14.85891280
  H     16.38511454     10.43634726    -17.25988486
  O     16.10210640     11.28136482    -11.26357352
  H     15.68646988      8.17143091    -13.87759761
  H     17.60808578     10.21546560    -16.30103893
  O     16.35929071     12.77171463    -14.56477403
  H     16.54591232      7.82536918    -12.63088490
  H     15.59450948      9.83521724    -15.45833111
  O     13.15937527      7.79154062    -16.35529298
  H     15.40125864     11.38531220    -11.91928713
  H     14.30513534      8.94351634    -15.39817121
  O     12.19736112     10.81372360     -9.07012878
  H     16.85177059     11.80145631    -11.57962530
  H     10.92496181      8.63793943    -13.98515594
  O     13.58614498      7.49300889    -11.96296341
  H     16.51979522     12.16340693    -15.30034864
  H     11.13351169      9.82273529    -13.04031142
  O     14.11220344     11.48416122    -13.30068416
  H     15.50638263     12.52817035    -14.18619941
  H     14.98116896      6.83224320     -9.06862710
  O     17.23226864      6.86917569    -15.79863041
  H     12.82683413      8.50779645    -16.91377397
  H     14.48758120      7.50500076    -10.36619873
  O     18.98941151      9.10343445    -15.71892923
  H     13.86954239      7.35299285    -16.84402044
  H     12.29990760      7.16768817    -14.92276350
  O     15.37168233      6.83574334    -17.74722615
  H     11.87466660     11.44304700     -8.43130244
  H     11.32131737      6.12853852    -14.33201329
  O     18.99855246      9.85017866    -13.12264102
  H     13.14738816     10.70695952     -8.89118810
  H     17.59839000     12.69514015    -13.36052624
  O     16.80876947     10.73829039    -16.44187993
  H     12.90481048      7.21193742    -12.58610422
  H     18.70134856     13.35299426    -12.49291384
  O     14.95246810      9.41979654    -14.86599901
  H     14.42449816      7.40449648    -12.44073778
  H     16.83427623      9.61841085    -11.22391475
  O     10.70774883      9.56934337    -13.87214264
  H     13.43363757     11.13557894    -12.70362665
  H     16.70516004      8.24518529    -10.54230960
  O     15.11584087      7.59115759     -9.63137116
  H     14.40660185     10.73070024    -13.83890263
  H     14.98498008      9.41278277     -9.01122578
  O     11.83050407      6.90536617    -14.11293390
  H     16.86515552      6.87204750    -14.90483958
  H     15.33643831     10.79138572     -9.60385428
  O     18.21634830     12.54279031    -12.62193683
  H     17.89327215      7.57243111    -15.81356047
  H     14.40825449      9.86358964    -18.33577754
  O     17.22185225      8.73001125    -11.19607724
  H     19.88958207      9.10989294    -16.03375235
  H     15.38974458      8.67346009    -18.33718149
  O     14.88503695     10.36129909     -8.86563098
  H     19.02119138      9.34770406    -14.77616271
  H     12.22681725     10.34158664    -10.77743571
  O     15.33762282      9.62990728    -18.45445800
  H     16.06521182      6.81641260    -17.06288453
  H     12.81932523      9.21934064    -11.69328115
  O     12.38382380     10.08070452    -11.69607475
  H     15.54233815      6.10275834    -18.33221802
  H     12.41930416     10.60371461    -17.02849205
  O     12.57087300     10.08011960    -17.83693822
  H     18.56376323      9.36470841    -12.41166357
  H     11.90866593     10.35280669    -18.46618945
          69
 Ord_Energy   -248.456146    
 O   0.180808827      -5.49549341      -3.34121633    
 H   0.375560731      -6.15648890      -2.66464043    
 H   0.930849552      -4.88585711      -3.34630203    
 O    4.59663820     -0.570530474       2.69620705    
 H    5.34624386     -0.438704431       2.10535240    
 H    4.00551891      0.178784177       2.53642654    
 O    3.27429867      -2.93797326       3.01507378    
 H    3.73914909      -2.09127665       2.89748621    
 H    3.32747006      -3.14380813       3.94560218    
 O   -2.50704307E-02  -1.86832380      -2.57617140    
 H   0.772530019      -2.40380573      -2.70692658    
 H  -0.764453590      -2.48730779      -2.54735136    
 O    4.74929333      -4.43333626       1.04271173    
 H    4.31732655      -4.00989103       1.79497576    
 H    4.03340006      -4.79474592      0.500295281    
 O   -1.84012294      -4.00644588      -2.28952718    
 H   -2.68263888      -4.17771769      -2.70244074    
 H   -1.18675697      -4.57304811      -2.73895168    
 O    1.32225370      0.596512318      -3.24028897    
 H   0.737666607     -0.156011060      -3.09923029    
 H    1.11777878       1.25165534      -2.55592132    
 O    5.26666260      -2.30829263     -0.570880294    
 H    5.20349693      -3.10116220      -1.90167893E-02
 H    4.47035360      -1.77896369     -0.404023349    
 O    2.19531822      -3.55124807      -2.81273270    
 H    2.35477734      -4.02404213      -1.98240638    
 H    3.04334402      -3.19273543      -3.09562993    
 O    4.77606392      -2.44621420      -3.26866961    
 H    5.05593586      -2.46575928      -2.33721995    
 H    5.49666977      -2.80089474      -3.78336287    
 O    6.60117817     -0.217042282      0.614594400    
 H    7.53940105     -0.351484925      0.727362037    
 H    6.25987101      -1.00324047      0.156663045    
 O    3.96366405      0.256380081      -2.83016419    
 H    3.04799795      0.410052210      -3.11729050    
 H    4.24084806     -0.602486610      -3.16643190    
 O    2.46419978      -5.00886440     -0.457936704    
 H    1.94570339      -4.49078894      0.175874472    
 H    1.96698296      -5.81834269     -0.627657533    
 O    3.13953519     -0.592738152     -0.297827333    
 H    3.19175553      0.100151204      0.372347862    
 H    3.33185101     -0.195796922      -1.15890992    
 O   0.101858333       1.17277181       1.32629156    
 H   0.120706320      0.301292002      0.894272923    
 H  -0.735115051       1.24062002       1.77768695    
 O    2.88247633       1.39010549       1.73027682    
 H    3.13055205       2.17947078       1.23035669    
 H    1.91706705       1.36114669       1.74166071    
 O    1.00834644      -3.51669002       1.39291728    
 H   0.767814219      -2.68111873      0.966543794    
 H    1.71503317      -3.31719589       2.01964068    
 O   0.611860514      -7.05481005     -0.980767012    
 H   -1.74942501E-02  -6.47890377     -0.508562267    
 H   0.439454705      -7.94779253     -0.696367919    
 O    5.42728233       1.83638597      -1.06633091    
 H    5.01967144       1.33573437      -1.78824162    
 H    5.87112999       1.19687557     -0.498186231    
 O    3.51041245       3.43784046      -5.78208081E-02
 H    3.77790785       4.35259390      -5.89621291E-02
 H    4.24243832       2.92957473     -0.452139318    
 O    1.02958250       2.40511847      -1.13703632    
 H    1.84858441       2.83230901     -0.858852088    
 H   0.614016891       2.08997011     -0.327007204    
 O  -0.975618124      -5.19568872      0.204013765    
 H   -1.34018612      -4.67719984     -0.524066150    
 H  -0.418185443      -4.60413170      0.725937724    
 O   0.509081960      -1.18482220       2.06563193E-02
 H   0.171397373      -1.38708639     -0.861667871    
 H    1.45581031      -1.00501513      -9.75509286E-02
          69
 Energy    -248.45589144556158     
  O     11.23085926      8.83372958     -9.52294899
  H     11.79241715      8.96961756     -8.74918619
  H     10.82366887     11.31439129    -11.60919043
  O     13.24034183      9.63931416    -17.42626356
  H     11.06022993      9.70882554     -9.88933698
  H     12.45063306     13.35134817    -13.55687821
  O     12.09069821      7.00171153    -11.28584319
  H     12.75610426     10.46336514    -17.23552327
  H     13.48948631     12.34684806    -14.11690450
  O     14.40312898      9.02944909    -14.94438925
  H     13.53221098      9.69639679    -18.33187877
  H     16.97975615      7.56657542    -13.58230787
  O     12.17423661     11.99206809     -8.07307340
  H     11.72489900      6.14078065    -11.10272402
  H     15.58037493      8.10149842    -13.93049118
  O     11.76376186     11.81567731    -16.77088916
  H     11.71585637      7.61822930    -10.63030753
  H     11.86680563     13.35915072    -11.35694345
  O     12.02099645      8.48211836    -13.66805274
  H     13.58941561      8.80995511    -14.46419088
  H     13.10371210     14.27149400    -11.55902034
  O     15.52622287      9.20653014     -8.54155312
  H     14.13973673      9.21399068    -15.85375926
  H     15.22955508      7.90700852    -11.68836879
  O     13.86990188     10.76951991    -11.04438485
  H     13.04266869     12.34575748     -8.31880612
  H     13.84830986      7.60151802    -11.03235452
  O     12.93248093      9.49866927     -7.33081283
  H     11.66238571     11.95285623     -8.88929556
  H     16.23115030     12.26792367    -12.53379776
  O     14.89133078     14.63849535    -11.01498250
  H     10.87294563     11.51566886    -16.55578772
  H     16.89346074     12.17940884    -11.13033137
  O     11.24362300     11.46036120    -10.75089915
  H     12.08593740     12.27898108    -15.98454642
  H     11.36608763     11.55429443    -13.72970632
  O     12.62711210     12.74690722    -14.29214814
  H     11.55935646      9.31056369    -13.47758015
  H     10.07278923     10.82284065    -14.16015986
  O     16.10106863      7.67947824    -13.22900569
  H     12.00005212      7.93531999    -12.87438909
  H     15.55820119     12.31023406     -8.99012205
  O     12.23188035     14.05404253    -11.91339300
  H     14.69693516      9.30458089     -8.05896382
  H     14.72497703     13.45352970     -9.62937761
  O     14.67213078      8.08950353    -10.91811188
  H     15.31770090      8.66340017     -9.31520028
  H     14.86533584     10.58399092    -14.06098503
  O     16.68830295     12.78276820    -11.85361704
  H     14.22839761     11.31045565    -10.33020834
  H     14.52494696     11.16172053    -12.65943425
  O     10.68827798     10.93225893    -13.42499232
  H     14.15569533      9.85488148    -10.91743299
  H      9.83022889      9.66669751    -16.06182004
  O     14.66792652     12.67916521     -9.05344045
  H     12.72293759      9.31540414     -6.41831614
  H      8.47888737     10.40379390    -16.22987855
  O     14.92782328     11.37766364    -13.51538699
  H     12.65022673     10.41494634     -7.50291054
  H     17.91449210     11.26243858     -8.90828997
  O      9.35451372     10.49346121    -15.86440006
  H     15.56898131     14.04701454    -11.38899178
  H     16.58166735     10.49402935     -9.04577558
  O     17.06809071     11.28267329     -9.34729747
  H     15.23412101     15.52628728    -11.07471877
  H     11.27981531      8.18764160    -15.36934019
  O     10.94995619      8.32035058    -16.26898375
  H     12.17087190     11.19148865    -10.86753348
  H     11.71162425      8.62085529    -16.77984894
          69
 Energy    -248.45578831860672     
  O     16.48956336     10.57330955    -10.36711086
  H     16.81489959      9.79402274     -9.90061731
  H     15.44221125      9.51975405    -16.21212339
  O     14.54161687      8.13287338    -15.37196173
  H     16.97010451     10.59906079    -11.20242348
  H     16.31293511      5.77551813    -15.87438693
  O     14.32058985      4.71631860    -11.65102567
  H     13.74887173      8.27105318    -14.83356507
  H     15.76869982      4.88946501    -14.75077674
  O     18.17951137      6.09808024    -13.35135342
  H     14.68264864      7.18489291    -15.48352062
  H     18.92887173      7.36243581    -12.14808143
  O     16.07876645     12.05943818    -14.30594271
  H     14.63151931      5.53626858    -11.24297512
  H     18.87401044      8.90387362    -12.03311330
  O     10.85537652      6.52752753    -11.09134963
  H     13.55327183      4.41515294    -11.14265168
  H     15.60268764      8.08588178    -13.91033697
  O     12.45771506      8.75700849    -13.64481985
  H     18.31147599      6.14424108    -14.30811623
  H     16.80751610      7.32967595    -13.25653342
  O     15.23258418      7.14564977    -10.69076892
  H     17.67381941      5.29200875    -13.18423688
  H     13.64150891     11.80829337     -9.79657747
  O     18.36844960      9.03074795    -15.63576225
  H     16.05862951     13.00201776    -14.44841944
  H     14.78975494     10.94626056    -10.37552942
  O     10.70239015      6.60424144    -13.96237358
  H     15.20616058     11.80948770    -13.95103093
  H     13.36839924      5.00109184    -13.26026303
  O     18.10287907      6.40664517    -16.13955305
  H     11.44719816      7.27064030    -10.91351064
  H     13.70263216      5.16572532    -14.75432949
  O     16.05709453     10.20622693    -16.50802825
  H     10.66739523      6.55686197    -12.03698322
  H     13.20430047     10.51103246    -13.53644059
  O     15.48974424      5.45054125    -15.48657239
  H     11.73718062      8.14781257    -13.84788654
  H     13.69146462     11.30358260    -12.30483593
  O     19.09535907      8.10070969    -11.54651640
  H     12.62593297      8.65843637    -12.69672558
  H     15.65393501      4.14430131    -12.60243249
  O     16.13220536      8.00523381    -13.10746236
  H     15.94356678      7.36722377    -10.07928591
  H     16.49448879      2.99394865    -13.20391875
  O     13.83354169     11.12301980    -10.43098790
  H     15.50011874      7.50451761    -11.55268483
  H     11.54106475      4.99640145    -10.54353184
  O     12.97020001      5.13584656    -14.13040052
  H     18.42826358      9.44207247    -14.77037640
  H     11.47292145      3.72447536     -9.67900211
  O     13.71313848     11.28605129    -13.26975926
  H     17.61452810      9.46143805    -16.07042302
  H     13.63926307      8.00562265    -10.71154569
  O     16.38217477      3.94095944    -13.21531595
  H     10.03415726      6.27984574    -14.55935935
  H     13.06011442      9.43576911    -10.62811713
  O     12.01999564      4.18206503    -10.31055483
  H     11.48131445      6.02736470    -14.06791630
  H     18.13733222      8.05453814    -10.07722790
  O     12.84256162      8.52927911    -10.87711591
  H     18.66954632      6.16199839    -16.86610024
  H     18.00731369      7.93992181     -8.53965104
  O     17.50812745      8.10304922     -9.33520742
  H     18.21609749      7.36650080    -16.00953337
  H     17.11396587      9.47340411    -12.99718004
  O     17.72504566     10.22880589    -12.96371081
  H     15.99833019     10.91584906    -15.85709382
  H     17.28041871     10.95081912    -13.42846261
          69
 Ord_Energy   -248.455734    
 O  -0.483227611      -1.13322318     -0.511325657    
 H  -0.787610471      -1.24892092      -1.41962695    
 H  -0.308612347     -0.182918534     -0.411070704    
 O   -2.97057176       1.07671666      -2.36235309    
 H   -2.52308512       1.92826974      -2.26839995    
 H   -3.51282883      0.984197557      -1.56924939    
 O    5.79903603     -0.344477773      -1.68548834    
 H    6.54473829     -0.696463585      -2.16444993    
 H    5.56136990      -1.00530064      -1.01001656    
 O    2.26835918      -1.21066439     -0.107216530    
 H    1.32291389      -1.39089012     -0.179202482    
 H    2.52776051     -0.789625108     -0.939715564    
 O    1.29558206       4.39652348       1.64969492    
 H    2.18166995       4.14818382       1.36179781    
 H   0.972447813       3.62576246       2.14021921    
 O   -1.40267420     -0.961960137      -3.16858459    
 H   -2.00658178     -0.237565205      -2.91994214    
 H   -1.89350164      -1.54812610      -3.73807669    
 O   -1.10169017       4.91748667      0.499293327    
 H   -1.34126461       5.82136393      0.688237488    
 H  -0.208924249       4.78746510      0.865072608    
 O   -1.44685066       3.34491587      -1.79607701    
 H  -0.774583101       3.47349882      -2.47861052    
 H   -1.33687806       4.02662802      -1.12054527    
 O    4.94525814      -1.99280941      0.303039521    
 H    5.16089249      -1.56044447       1.13896608    
 H    3.98422575      -1.92729187      0.213045686    
 O    3.63389897       3.03133678      0.722861230    
 H    3.21958208       2.98747945     -0.151552454    
 H    4.53216124       2.68387794      0.623577833    
 O    2.19368649       2.61059427      -1.56937551    
 H    1.78693235       3.02279592      -2.33958125    
 H    1.46769297       2.21427608      -1.06183386    
 O   -2.54417157     -0.829455435       1.39245880    
 H   -1.85071492      -1.07092190      0.764663160    
 H   -3.20567989     -0.336439013      0.890760660    
 O   0.814072967      0.609869778      -4.01077795    
 H    9.24864486E-02   2.05695592E-02  -3.75971222    
 H    1.60902750      0.286417276      -3.56791615    
 O    2.55270693E-02   1.55153191     -0.209400684    
 H  -0.617976844       2.11958909     -0.651865959    
 H    6.15916215E-02   1.78165305      0.727809787    
 O   0.573126495       3.29165578      -3.75932002    
 H   0.695912123       3.71789122      -4.60274744    
 H   0.620069981       2.32995343      -3.91841245    
 O   -1.95902896      0.868211567       3.40775943    
 H   -2.15600371      0.191848397       2.73428988    
 H   -2.37154174      0.581376731       4.21733475    
 O   -2.92259002       2.86857605       1.51931059    
 H   -2.29628825       3.55714750       1.27204084    
 H   -2.53262258       2.36617994       2.24458623    
 O    5.29868031     -0.283138692       2.56108356    
 H    4.38320541       3.27876918E-02   2.47621322    
 H    5.49112415     -0.320193231       3.49430346    
 O   0.417615056       1.95028913       2.55051637    
 H  -0.314973056       1.49393940       2.98168421    
 H    1.18963611       1.36782455       2.52741146    
 O    3.11723733      0.134274647      -2.40222955    
 H    4.06875944       7.92314019E-03  -2.29984117    
 H    2.91866827       1.04111695      -2.12488198    
 O    2.77845716      0.643617332       1.92646873    
 H    3.05988765       1.47370040       1.51170504    
 H    2.56534433       1.28556099E-02   1.22341585    
 O    5.97403812       1.59350419      0.459236294    
 H    5.98237944       1.03673363     -0.328461558    
 H    5.92787218      0.984228134       1.20615995    
 O   -4.31641531       1.00513291      0.108331539    
 H   -3.85801291       1.72987974      0.570205092    
 H   -5.24840450       1.12149668      0.273773730    
          69
 Energy    -248.45567426871526     
  O     13.11461202     11.46250171    -10.46474032
  H     13.22135718     12.32165193    -10.89869054
  H     10.61561031     13.98536859    -12.88525336
  O     11.05423315     12.23225468    -15.22958535
  H     13.21718448     10.77825397    -11.14140973
  H     14.00553956     13.28951420    -12.48800325
  O     13.27015149      9.43857228    -12.44729364
  H     11.20121591     12.94565746    -14.59312998
  H     14.35234490     14.33901256    -11.41501088
  O     18.56944749     11.90813135    -13.94501138
  H     10.29564770     11.72864133    -14.90785772
  H     12.50801036     16.70584550    -15.24269733
  O     10.42398256     11.32521505     -9.95652423
  H     14.11141480      8.96900106    -12.44555018
  H     12.22468541     15.35360649    -14.55382753
  O     10.45036674      9.41151572    -12.08037938
  H     13.16230462      9.76638326    -13.35378716
  H     15.05353343     13.02634949    -14.23808684
  O     13.17126481     10.50170706    -14.97508319
  H     19.49143142     12.02100485    -14.15915397
  H     14.26774145     11.67633021    -14.15697848
  O     16.10758735     14.69249228    -10.79296462
  H     18.21024226     12.80052142    -13.78860073
  H     12.42922040     14.56716897    -16.70092424
  O      9.02947029     10.79274807    -13.93772815
  H     10.22173497     11.27370348     -9.02590683
  H     11.76597075     13.18737869    -16.71628877
  O     15.35472941     14.53056964    -15.19486883
  H     11.39062177     11.39783054    -10.02979916
  H     16.28157480      9.39981905    -12.32938291
  O     14.97432009     13.01714408    -17.40600099
  H     10.35777524      9.95436565    -11.28711486
  H     16.46497671      7.86750511    -12.21787901
  O     11.39453990     14.32331917    -13.35091583
  H     11.39786890      9.26105986    -12.18893472
  H     17.47084819     10.52122152    -14.82279407
  O     13.61344888     13.85772885    -11.80393851
  H     12.42159664     11.07956024    -15.17633149
  H     16.62287088      9.29711936    -14.40310232
  O     12.78560361     15.79337299    -15.21419699
  H     13.67641398     10.34264182    -15.78189751
  H     15.14299520      9.55891140    -17.77283720
  O     14.81262300     12.29370041    -13.65428416
  H     16.40969720     15.33923019    -10.16022401
  H     15.74586626     10.02544765    -16.42528500
  O     12.30472238     13.78430631    -17.25092815
  H     16.05925815     13.84225037    -10.32103355
  H     16.01610202     11.50992903    -12.57822877
  O     15.97134902      8.54448149    -12.67475563
  H      9.52792121     10.22490280    -13.32308046
  H     17.53765668     11.30535191    -12.52797596
  O     16.93082498      9.79935979    -15.16598443
  H      8.25648787     10.30170473    -14.20231714
  H      9.10135210     12.28984197    -12.70580775
  O     15.01139616     10.16576697    -17.04929840
  H     14.54813673     15.05766949    -15.16635409
  H      9.67621253     12.49281772    -11.29541916
  O     16.72134393     11.08605845    -12.06189007
  H     15.34378882     14.04417726    -16.03596859
  H     16.79250996     14.54808111    -14.04207137
  O      9.37755144     12.96999480    -12.07928520
  H     15.02843830     12.05656457    -17.37084074
  H     17.04162739     14.47975814    -12.51574119
  O     17.45397319     14.32175801    -13.37226727
  H     14.03301152     13.23473500    -17.48913704
  H     14.89483223     11.88802347     -9.71175050
  O     15.80609827     12.20316277     -9.69245774
  H     12.14287567     14.22768647    -12.74409743
  H     16.24757736     11.73504026    -10.41637041
          69
 Energy    -248.45566940377682     
  O     13.22855033      8.23952358    -16.35622100
  H     14.05540954      7.82475654    -16.62704939
  H     18.04502098      5.66286049    -13.92783077
  O     17.62407422      7.09884452    -12.80567843
  H     13.34915747      9.18686797    -16.49494833
  H     20.12948157     10.73093899    -13.67557810
  O     16.90124954     11.18468089    -12.15510531
  H     18.15760310      7.69756689    -12.26996411
  H     20.63581922      9.44052951    -14.34931701
  O     18.37181587     10.55013936    -16.22217444
  H     17.32184907      7.63205348    -13.55770224
  H     16.95497761     10.24813456    -17.41300605
  O     15.45802624      4.75340533    -15.69740444
  H     16.38534085     11.00066768    -11.35647826
  H     16.09106774      9.02105719    -17.78989505
  O     15.12355105     10.26790160    -10.26716983
  H     16.26039766     11.09601339    -12.87595002
  H     16.05508857      9.34952390    -14.50121262
  O     15.22271853      6.83135817    -11.49073705
  H     18.50391675     11.19837018    -15.51893131
  H     17.40131581      9.31066255    -15.25754171
  O     14.92420758     10.65152389    -14.00772019
  H     19.18924314     10.03837057    -16.29953996
  H     12.36581327      7.73930727    -14.94361671
  O     18.83782410      6.79904791    -16.73203084
  H     15.16153870      3.90040938    -16.00389043
  H     11.01777448      7.34950130    -14.28848798
  O     15.82187593      7.82326099     -8.91240144
  H     14.90206566      4.98425198    -14.93165486
  H     19.35175629      7.74213467     -8.69363064
  O     20.54245410      8.80815224    -16.16517176
  H     15.35193202      9.50852879     -9.71788186
  H     18.72737809      8.53458921     -9.85455474
  O     18.14701496      5.08176738    -14.69398176
  H     14.43554004      9.95324736    -10.86647970
  H     13.18284399      6.06908897    -13.75094850
  O     20.58269736      9.89667250    -13.50096607
  H     15.37224950      7.04466993    -10.56238791
  H     14.35606859      5.81081486    -12.78629127
  O     16.14363033      9.98100455    -17.86734350
  H     16.08694456      6.86671128    -11.92769030
  H     18.16020646     11.87679758    -13.23580483
  O     16.75714968      8.75638804    -14.79884233
  H     14.33718984     10.10186486    -13.46641898
  H     18.99078923     13.06249610    -13.76944091
  O     11.94490753      7.47415955    -14.10565097
  H     14.49120492     10.84938214    -14.84603965
  H     18.16779239      9.86513100    -11.68511543
  O     18.52550587      8.09676356     -9.01114738
  H     18.73173682      6.14401154    -16.02443367
  H     19.57973020      9.38509096    -12.11563170
  O     13.93055866      5.48198743    -13.58910919
  H     17.95305414      6.93481474    -17.07959269
  H     14.17421026      8.21871560    -12.05309347
  O     18.80751983     12.13697561    -13.91209090
  H     15.54138088      7.59193474     -8.03076343
  H     12.88774713      8.50248954    -12.85434185
  O     18.86428795      9.22749120    -11.48202978
  H     16.79230117      7.89081544     -8.89012777
  H     14.73569405     10.69545517    -17.12607504
  O     13.57932280      8.93000281    -12.33442735
  H     19.97063877      8.04469671    -16.36477465
  H     13.53625297     11.67481142    -17.13024184
  O     13.94486109     10.97419860    -16.62945480
  H     21.33897270      8.69239898    -16.67631505
  H     16.17975672      7.72795955    -16.12421096
  O     15.88860376      7.23948045    -16.91235977
  H     17.25223010      4.85222081    -14.97232111
  H     15.73652471      6.32965991    -16.62204524
          69
 Energy    -248.45561904192868     
  O     17.18471457     10.00279143    -15.76749861
  H     17.78801688      9.79919234    -15.04518581
  H     18.18207100      3.00772283    -15.70984553
  O     13.58509417      4.98857495    -16.67546103
  H     16.28601930      9.87893072    -15.42435558
  H     18.32998020      7.37334435    -17.66558729
  O     17.67416805      4.74138220    -12.00263142
  H     14.13291121      4.39622893    -17.19808968
  H     18.63760437      5.85098598    -17.82126295
  O     18.17986462      4.20528086    -18.58188608
  H     13.89384316      5.87682441    -16.90656059
  H     17.58254235      6.16400331    -15.97509736
  O     13.89637781      6.84170791    -10.13004848
  H     17.44196911      5.64650691    -12.26562138
  H     16.91811562      6.37480245    -14.57913434
  O     13.61725590      5.07619399    -13.87909714
  H     18.48521752      4.53347277    -12.47975435
  H     14.56695291      8.67878924    -15.71321857
  O     16.99747243      7.19331631    -12.96163110
  H     18.44075376      3.91034205    -19.45168063
  H     14.39150115      8.84391324    -14.19417684
  O     16.38932251      3.21917771    -15.41701716
  H     17.26500269      3.90965871    -18.45537754
  H     13.40758047      3.38065876    -10.75252274
  O     12.42008012      4.69564131    -11.34422817
  H     14.63403565      6.22378030     -9.98177111
  H     13.65632708      2.03986368    -10.01791488
  O     20.11524577      7.03495167    -14.82454321
  H     13.76935865      7.31995950     -9.31516559
  H     19.70652219      3.93830820    -14.51269531
  O     15.60739231      3.20581152    -17.99233463
  H     13.52924508      4.99821758    -14.83885466
  H     20.78531751      3.98395376    -13.41009199
  O     19.10186438      3.16150181    -15.97227166
  H     14.28573986      4.43973811    -13.59518681
  H     15.04673135      2.88699258    -12.07519907
  O     18.80783440      6.62816796    -17.27457961
  H     16.07208579      7.46382047    -12.88579444
  H     16.28127923      3.70751981    -12.54325361
  O     16.82602891      5.92020701    -15.42622386
  H     17.55375971      7.96929165    -13.09732753
  H     16.58012158      4.86367160    -10.42208526
  O     14.62249792      9.32578785    -14.99772324
  H     16.50565433      4.18472095    -15.41858323
  H     15.32830040      4.11937574     -9.91201335
  O     14.09632710      2.74614421    -10.48195164
  H     16.04407672      2.98987529    -14.54539455
  H     15.63160541      7.82906492    -17.57221161
  O     19.96707190      4.38802682    -13.69028390
  H     12.74838314      5.48302725    -10.89222222
  H     15.57604058      6.82266528    -16.41200535
  O     15.51730400      3.20000250    -12.85597900
  H     12.62252347      4.82650436    -12.28082705
  H     14.00840975      6.73640466    -13.24752896
  O     15.83161913      4.93819459     -9.81749573
  H     19.82154033      6.90761640    -15.73677876
  H     14.09067056      7.45464442    -11.87497522
  O     15.01771292      7.34244518    -17.01136232
  H     20.09132346      6.16713008    -14.40479351
  H     19.50338965      9.67146082    -13.15940266
  O     14.27558242      7.56204979    -12.81599405
  H     15.19120422      2.39558625    -18.27770247
  H     19.39563644      8.41615476    -14.06151586
  O     18.88405054      9.13418983    -13.64549871
  H     15.82760442      3.08988482    -17.04982762
  H     17.26675811      9.41270421    -18.84402297
  O     17.23821958      8.76858448    -18.14242999
  H     19.04448374      3.47204880    -16.88051545
  H     17.25221876      9.26749948    -17.30285025
          69
 Energy    -248.45548489431405     
  O     15.64955907     11.45788436    -17.05359073
  H     15.43314415     12.37559246    -17.19427414
  H     18.44252267      7.09622455    -17.50366420
  O     13.08444967      5.48222567    -14.67733766
  H     15.07191140     11.13861359    -16.33677375
  H     16.54962502      8.09683905    -14.86587077
  O     18.96954654      7.50076284    -12.41873263
  H     12.33453356      4.91275067    -14.52858134
  H     15.25232754      7.66878787    -15.64578123
  O     15.61725289      5.68712681    -18.48697738
  H     13.71333885      4.98309102    -15.23009764
  H     14.29636544     10.30039162    -14.17593623
  O     15.74171822      9.62561626     -9.87876694
  H     18.45495330      8.18538214    -12.87546351
  H     13.71873654      9.61404522    -15.42845561
  O     14.54365813      6.79477375    -12.60746287
  H     19.68756217      7.26196105    -13.01771112
  H     16.56722272      4.90460658     -8.69280631
  O     17.42941970      9.26915539    -13.77646729
  H     16.38728215      6.25577323    -18.39734789
  H     15.80084422      5.99967941     -9.47413382
  O     17.28119962      5.02183632    -14.92596445
  H     14.88316721      6.27956710    -18.69491327
  H     13.40066462      7.77906747    -16.99354315
  O     14.43643415      7.06060874     -9.80547454
  H     15.82264197     10.30236827     -9.21218787
  H     13.17219363      7.08280820    -15.61101780
  O     14.91422018      4.22858785    -16.21101953
  H     16.57662917      9.12351335     -9.87063714
  H     20.36285523      6.52877274    -15.21802536
  O     19.37691967      5.65608916    -16.57175820
  H     14.02168254      6.32489653    -13.26738194
  H     21.36975076      7.62102388    -14.83687671
  O     17.73769082      7.71768715    -17.71739372
  H     15.40345889      6.35447709    -12.55093628
  H     17.74484724      6.19904720    -12.28772641
  O     16.18563340      7.47156807    -15.50590126
  H     16.60683380      9.59603274    -13.39075450
  H     16.94100923      5.33863272    -11.28161486
  O     14.07977636     10.45095884    -15.10437712
  H     17.67489002      9.78716690    -14.55670138
  H     18.45043979      7.91781063    -10.67520299
  O     16.63820066      5.50384830     -9.43040836
  H     16.82750717      5.84954902    -15.15768312
  H     17.64565958      7.16192453     -9.60029668
  O     13.46002991      7.90033386    -16.03664006
  H     17.26795270      4.98175191    -13.96115404
  H     15.68417081     10.11294391    -18.34857133
  O     20.78760950      6.96116850    -14.46447911
  H     14.73627544      7.97355462     -9.71433456
  H     16.51664745      8.84979634    -18.67813475
  O     17.04443760      5.53128120    -12.22081037
  H     14.28728259      6.93206641    -10.75258972
  H     15.16539837      9.73594106    -11.64779865
  O     17.95143839      8.04040454     -9.85627614
  H     15.10465975      4.64919360    -17.06198566
  H     14.74654425      8.62954075    -12.64223572
  O     15.72334819      9.33997170    -18.92693084
  H     15.75190667      4.24127648    -15.73164016
  H     18.17648520      9.53535767    -16.81506028
  O     14.94829087      9.57472104    -12.57459743
  H     18.66606981      5.33849995    -15.98753275
  H     17.30949568     10.78199710    -16.54941207
  O     18.08440164     10.29675586    -16.23364456
  H     19.71077149      4.88993788    -17.03290647
  H     13.00940874      7.80119840    -19.56661571
  O     13.60207259      7.68183187    -18.82970711
  H     17.12801778      7.68070114    -16.95989308
  H     14.32272675      8.33020381    -18.93604054
          69
 Energy    -248.45541368643293     
  O     12.98662921      9.73908772    -15.62354475
  H     13.58609980     10.39804711    -15.99073626
  H     20.24646675      7.62275332    -13.34076374
  O     17.36751871      6.59034040    -13.11096317
  H     13.30231806      8.88250656    -15.94539147
  H     17.13706847      9.58224493    -18.00458330
  O     18.56646728      9.20943347    -16.93598307
  H     18.15488698      6.96813325    -12.70399634
  H     15.76950360     10.26703734    -17.82964417
  O     13.55786251      5.15267509    -14.71959824
  H     17.14035650      7.14428183    -13.87354834
  H     15.71494049      7.83416688    -15.62946699
  O     17.38309502     10.50676444    -10.32780235
  H     18.88650237      9.73600066    -16.19230261
  H     17.15562689      8.37793373    -15.92394597
  O     15.52634334      7.28195177    -11.21029838
  H     19.10758244      8.41000604    -16.98426475
  H     12.64593978      9.65694961    -13.93555240
  O     16.30891497     10.63562021    -14.18048020
  H     13.05105599      4.35024077    -14.80849259
  H     11.62395721      9.90731910    -12.80222389
  O     17.36027725      5.37467016    -17.10919039
  H     14.49689453      4.88983604    -14.68264338
  H     13.20995576      6.27327264    -13.19817286
  O     17.53216974      7.78284384     -9.45065124
  H     17.43757625      9.65247191     -9.88047088
  H     12.82365976      7.68184475    -12.66730082
  O     19.86965567      6.74581127    -16.69552455
  H     16.52430778     10.51653287    -10.76932449
  H     19.44224219     10.62179652    -13.53806319
  O     16.17839547      4.59883840    -14.71454542
  H     16.13994951      6.97400972    -11.89428507
  H     18.13976561     10.59041809    -14.33874722
  O     20.33750465      7.85806674    -14.27036872
  H     14.63760239      7.03082379    -11.50000973
  H     18.91835137      7.66704643    -10.78381913
  O     16.24219965      9.62580604    -18.37209004
  H     16.32805509      9.72889313    -14.52912512
  H     19.61688562      8.74590593    -11.62363134
  O     16.53271740      8.14989365    -15.22391989
  H     15.88186647     10.56736847    -13.31796111
  H     18.86928708     10.69674601    -11.21396318
  O     12.49697659      9.56606922    -12.97742268
  H     18.21146828      5.81460653    -16.99868276
  H     20.34548336     11.16238258    -11.19407787
  O     13.12640983      6.80614538    -12.39823526
  H     16.84107147      5.91784268    -17.71301770
  H     15.39404656      6.83073048    -19.63481454
  O     19.09103715     10.42906170    -14.41702151
  H     16.75078444      7.54660086     -9.98159730
  H     15.80546436      7.96688589    -18.66874817
  O     19.45513270      7.79411537    -11.57589110
  H     17.44187442      7.33243368     -8.61511416
  H     15.23676793      9.06959750    -11.59690985
  O     19.71808695     10.64235938    -11.68936978
  H     20.67256494      6.37174989    -17.04953137
  H     14.11375766      9.97713720    -12.12708316
  O     15.59456206      7.01712321    -18.72150850
  H     20.07067679      7.02554504    -15.78443043
  H     15.52982290     11.29342303    -15.65741966
  O     15.02238224      9.99161993    -11.80042164
  H     16.66627466      5.11550347    -14.06173705
  H     15.08552006     12.42990904    -16.60516274
  O     15.07450842     11.48213899    -16.49508508
  H     16.59564086      4.78491688    -15.56895405
  H     13.86753791      6.51742083    -15.88951369
  O     14.12021705      7.31838940    -16.36756747
  H     19.93521215      8.73358652    -14.34896578
  H     14.48944839      7.07157679    -17.22485716
          69
 Energy    -248.45536206948287     
  O     -9.53495814      1.00253116      3.34130453
  H     -8.73427701      1.37750971      3.74117044
  H     -9.80586853      2.51547185      2.43115512
  O     -6.14731978      0.47211201      6.50710161
  H     -9.27308262      0.13717139      2.99998597
  H     -5.68272977     -0.21190349      0.51073075
  O     -7.39035609     -1.79200882      5.38217919
  H     -6.43466109     -0.37573801      6.14086839
  H     -5.75814282      0.70345314      1.75185596
  O     -7.83036816      4.36377028      5.93794944
  H     -6.72272974      0.66763693      7.25819642
  H    -11.79336103      1.70821086      5.46789070
  O    -12.96393627      3.02764748      5.09973778
  H     -7.27002755     -2.71942987      5.57256066
  H    -10.54302980      1.08062767      4.79232748
  O     -7.29752541      2.03526326      4.51395793
  H     -8.19782282     -1.51524341      5.85296818
  H    -11.65333477      5.68012085      3.87799108
  O     -8.08501157      1.07422467      8.50675189
  H     -8.17339463      4.81803808      5.15331329
  H    -11.36954611      5.85631634      5.38337351
  O     -9.71886272      2.97270135      7.33380224
  H     -6.90195820      4.60831237      6.04131229
  H    -11.39191258      4.00075980      2.32136264
  O    -11.76698647      4.85728488      6.98497797
  H    -12.79835327      3.42200271      4.23421713
  H    -12.79578644      4.46175822      1.87690228
  O     -5.95673544      5.70406789      3.23515621
  H    -12.72250752      3.70135044      5.74693572
  H     -7.85513351     -1.49156493      3.50910769
  O     -5.06514124      1.94643911      2.86710637
  H     -6.91938834      1.45722779      5.19070504
  H     -7.53588525     -0.87793111      2.12050727
  O     -9.75488041      3.36247925      1.96413810
  H     -7.49175035      2.87391140      4.94952958
  H     -9.01010542      4.71644887      2.99831074
  O     -6.29116131      0.17311175      1.13769862
  H     -8.66217326      1.78856415      8.19014619
  H     -9.52465842      5.86920404      3.90047734
  O    -10.99427980      1.19170531      5.64215254
  H     -8.05999266      1.14319677      9.45797929
  H     -4.57760943      4.66235251      0.60284671
  O    -11.16437301      6.21958404      4.51359398
  H    -10.13540157      2.35451609      6.71196186
  H     -5.43734094      4.79018254      1.88329123
  O    -12.24319754      4.33908872      2.64502740
  H     -9.04812151      3.48858108      6.85901414
  H     -9.05946698     -0.30758231      7.53527197
  O     -8.23263236     -1.29659001      2.64282204
  H    -11.06012559      4.23713701      7.22159381
  H    -10.12993126     -0.24863716      6.43371145
  O     -8.72168993      5.43006558      3.58266087
  H    -12.11865296      5.19582588      7.80510261
  H     -4.69573587      1.62019950      5.98557663
  O     -5.16577167      4.17783121      1.17515112
  H     -6.92034061      5.73995215      3.31443682
  H     -4.24519749      2.11475554      4.59846594
  O     -9.47013020     -0.82982875      6.83679109
  H     -5.61226440      5.48323305      4.10778659
  H     -7.26519054      1.84472228      0.57823514
  O     -4.16768147      2.29807135      5.54418296
  H     -4.99120198      2.71758904      2.28901213
  H     -6.76224369      3.29635657      0.59668066
  O     -7.54725825      2.75623666      0.44314499
  H     -5.88156526      2.05434032      3.38082647
  H     -4.71583199      3.95260043      5.77130784
  O     -5.08385313      4.84940057      5.85685877
  H     -9.04992271      3.24843874      1.31094473
  H     -4.46517373      5.35111266      6.38119936
          69
 Energy    -248.45514990412164     
  O     18.16301397      5.42502798     -9.69820700
  H     17.32456547      4.94504058     -9.65907898
  H     16.41295847      7.47238301    -15.62702027
  O     17.70331035      8.80793638    -15.39222233
  H     18.01928071      6.23035638     -9.18715485
  H     16.19954877      7.31804416    -11.38126615
  O     13.19510380      7.69713198    -12.21391031
  H     18.36830215      9.12099817    -15.99943958
  H     15.60692812      5.93418738    -10.93548021
  O     11.80821250      5.65498704    -13.58678108
  H     18.17241780      8.51272516    -14.59013544
  H     20.15685242      4.85270681    -12.07491696
  O     15.70591213     10.46473030    -14.18186933
  H     14.04436018      7.28664928    -11.98735932
  H     18.95808914      5.38607203    -11.25964051
  O     17.28553342      8.74670950    -10.98033124
  H     12.63084546      6.98887118    -12.54525174
  H     14.33023398     10.17385045    -10.65126271
  O     18.90800625      8.01888958    -13.10840792
  H     12.48066660      5.31093007    -14.18789964
  H     13.36326100      9.00205247    -10.90517579
  O     12.17719423      4.43636433    -11.05568751
  H     11.33679442      6.32243071    -14.10574641
  H     14.33748826      8.47989603     -8.97089681
  O     13.67854024      4.92947884    -15.64149996
  H     16.44390212     10.00635956    -14.60090098
  H     14.12442302      7.03546963     -8.46598943
  O     17.39255169      7.83686580     -8.35007003
  H     14.91796387      9.96650728    -14.43493206
  H     13.52587673      8.36687586    -13.83842009
  O     11.06760204      7.75048931    -15.25820331
  H     16.79543305      9.57346541    -11.07712046
  H     14.38478964      7.94797164    -15.05342692
  O     15.78339304      6.75386654    -15.48641459
  H     17.40340653      8.56754225    -10.03876143
  H     15.94656115     11.97632918    -11.42556852
  O     15.62273403      6.58858459    -11.64551234
  H     18.40591461      8.35660487    -12.35281135
  H     15.75147689     10.88144861    -12.49982117
  O     19.35055439      5.35553514    -12.15067969
  H     19.18168498      7.13082871    -12.85369343
  H     12.53503974      5.17191559     -8.02263605
  O     13.68823133      9.60012993    -10.21775550
  H     11.92144316      4.79748201    -11.91308647
  H     12.72122856      5.16706510     -9.55461937
  O     14.71499167      7.79313722     -8.40072202
  H     12.80897652      3.72899564    -11.23686909
  H     17.82212141      5.09442955    -13.20921333
  O     13.70411107      8.57174783    -14.77024185
  H     14.40043721      5.57521391    -15.69724451
  H     16.41909899      5.65390705    -12.90518861
  O     15.79421037     11.04218361    -11.54010907
  H     13.23697733      4.94400328    -16.48816403
  H     14.78788204      4.75222843     -9.26957661
  O     13.13674312      5.43288616     -8.71512657
  H     17.68628923      8.17596430     -7.50946312
  H     15.20038247      3.73241039    -10.35451040
  O     16.92261795      5.13358837    -13.55203910
  H     16.41781916      7.79855415     -8.31315102
  H     14.54982060      2.69434477    -12.36432988
  O     15.53555183      4.45096148     -9.80228140
  H     11.96384774      8.11986301    -15.21456300
  H     14.20922696      1.58876838    -11.33818119
  O     14.27568768      2.53398736    -11.44380712
  H     10.47761636      8.50046544    -15.27777878
  H     14.51431674      3.55544659    -14.59724976
  O     15.07230141      3.11391104    -13.94726390
  H     16.22364129      6.15839924    -14.86120837
  H     15.82804597      3.70630302    -13.82107826
          69
 Ord_Energy   -248.455048    
 O   -4.52685404      -1.42015326       6.10429955    
 H   -4.91046000      -2.26808095       5.89682579    
 H   -5.15829182     -0.744770408       5.79457998    
 O   -3.81979179       6.47823620       2.30631733    
 H   -4.00778055       5.56725883       2.56897569    
 H   -4.26031446       7.03728819       2.95828867    
 O   -1.80210865      0.354071647       10.2629061    
 H   -1.85970283     -0.215121776       11.0255823    
 H   -2.50819016       7.15713874E-02   9.65835094    
 O   -5.05803394       7.88647699       4.45785618    
 H   -5.62686062       8.65084934       4.46828938    
 H   -4.29541826       8.09340286       5.02946091    
 O   -5.09625626       5.29468107       5.56535769    
 H   -5.24587631       6.18356562       5.22314978    
 H   -4.71879578       4.77776861       4.83629513    
 O   -1.11325002       6.41508484       2.15321994    
 H  -0.805321336       6.71778965       1.30351007    
 H   -2.08255172       6.51380205       2.15278554    
 O   -5.25608921       2.27159739       9.42016029    
 H   -5.60740566       2.51649737       8.55114269    
 H   -4.89114380       1.38793612       9.29878712    
 O   -1.36033058       2.82637739       9.18355179    
 H   -1.44871211       1.97468770       9.63951397    
 H   -2.01360846       3.42812204       9.56077194    
 O   -2.72850657     -0.213047251       4.15123415    
 H   -1.98456538      0.293871552       4.50081205    
 H   -3.15167475     -0.665130854       4.89041233    
 O   -3.58293223       4.35380507       9.93363571    
 H   -3.84704137       4.80487633       10.7312403    
 H   -4.20958900       3.61946630       9.80533409    
 O  -0.864806473       1.70156860       5.09645700    
 H  -0.912040830       2.44250846       4.47415400    
 H  -0.241187930       1.96173060       5.78518867    
 O   -3.06264544       5.68957376       7.45704889    
 H   -3.30219579       5.31362820       8.31061935    
 H   -3.78548503       5.49927187       6.84141016    
 O   -6.10591269      0.577808440       5.17436457    
 H   -6.09940624       1.37077832       5.72756386    
 H   -5.74036169      0.846629918       4.32293224    
 O   -2.93977523       2.18244576       6.91310120    
 H   -2.31500411       2.00309753       6.20055246    
 H   -2.42573309       2.52370715       7.65577459    
 O   0.593217373       2.87951922       7.28701925    
 H   -2.12468393E-02   2.85041666       8.04062939    
 H    1.47177756       2.77044845       7.64228106    
 O   -1.20614898       4.09379244       3.72794652    
 H   -1.03613400       4.49964476       4.59240389    
 H   -1.05599320       4.78809738       3.07451034    
 O   -3.97100210       3.90513778       3.47230220    
 H   -4.23377419       3.01327038       3.21642971    
 H   -3.00816441       3.90857649       3.56833363    
 O  -0.583689392       7.62238836       4.73392820    
 H  -0.696480393       7.30560637       3.83026099    
 H  -0.427226633       6.83269215       5.26917505    
 O   -5.63119507       2.85884738       6.73286772    
 H   -5.68385935       3.75252557       6.37166882    
 H   -4.68655825       2.63538265       6.73745775    
 O   -3.78956914      -1.31463502E-02   8.40112114    
 H   -3.48185468      0.733552456       7.86515331    
 H   -4.08196402     -0.667851269       7.75647879    
 O   -4.59370279       1.24964321       2.83360171    
 H   -4.73760366      0.893022776       1.96083128    
 H   -3.89161372      0.713760555       3.24468517    
 O   -2.93844247       8.22155666       6.08296442    
 H   -2.10218024       8.14795303       5.59907818    
 H   -2.94303489       7.49546146       6.71717739    
 O  -0.646705985       5.19076300       6.19018412    
 H   -1.46253562       5.32896280       6.69399261    
 H  -0.138144433       4.49677086       6.62294245    
          69
 Energy    -248.45490686709397     
  O     12.62958463      9.91790251    -11.08056561
  H     13.32228413      9.27873916    -11.29679545
  H     14.52400259     14.76386758     -8.25690827
  O     12.91517588     11.96066451    -12.95677184
  H     12.69843363     10.64661312    -11.70826259
  H     11.67812643     13.29040274    -10.33523780
  O     13.36923040     10.51082293     -8.50498540
  H     12.38514800     12.58495789    -12.44052563
  H     10.52974030     13.32804759    -11.37331380
  O     13.16142328      6.28395543     -9.90358949
  H     13.84307155     12.09884489    -12.71450293
  H      8.84480926      8.71570794     -7.68996593
  O     15.84413244     15.08096989    -11.62367482
  H     13.09733753     10.36538883     -9.42414740
  H      9.54104435      9.89744795     -8.40461865
  O      9.42708380     10.35685179    -12.97684096
  H     13.09608795      9.70886964     -8.03999660
  H     10.31114880     12.09103966     -8.61362879
  O     15.43085761     12.33744639    -11.98173094
  H     12.47853261      6.19319585    -10.59158032
  H      9.20969521     11.88791278     -9.67409096
  O     16.03452694     14.18740019     -8.87763826
  H     13.37777162      5.40203488     -9.61034578
  H     12.54144386      7.47618334     -8.46850117
  O     10.19251630      8.61614740    -10.96757048
  H     16.24522295     15.83288448    -12.05035297
  H     11.35441225      8.29936996     -7.90931655
  O     13.30594018     15.64778241    -10.83004505
  H     14.92849944     15.33415075    -11.40730427
  H     15.04995015     11.07981566     -8.92280615
  O     14.49302142      7.96764934    -11.73461790
  H     10.14842102     10.25841919    -13.60549216
  H     16.27306285     10.74396688     -9.83115685
  O     13.63364822     15.09053443     -8.03162509
  H      9.56558951      9.67299784    -12.30451353
  H     13.10785305      7.21710564    -14.87966295
  O     11.46135654     13.54484040    -11.24495834
  H     15.66365879     13.27475905    -11.99436936
  H     12.48712656      8.48646195    -14.26046615
  O      9.56967610      8.93249413     -8.27005548
  H     15.46881955     12.07131063    -11.05194083
  H     12.24334322     10.83507678    -14.10417992
  O      9.51375707     11.58208520     -8.81205212
  H     16.15222327     14.51838981     -9.77555549
  H     11.70583485     10.53400277    -15.52116298
  O     12.28922539      8.09768527     -7.77562363
  H     16.08210182     13.22206666     -8.93605835
  H      8.01134625     12.89097338    -11.71120606
  O     15.85027903     11.44859516     -9.32056139
  H     11.04028325      9.08818575    -10.96643646
  H      9.02433167     11.76960536    -12.04383295
  O     12.86900871      7.62085409    -14.04793490
  H      9.86588958      8.63750398    -10.06017797
  H     16.41957335     10.50324437    -11.91867678
  O     11.81886932     10.15235031    -14.65357624
  H     13.33865188     15.60236866     -9.86597296
  H     15.99206007      9.07693666    -11.51863968
  O      8.85999278     12.53381440    -11.46349292
  H     12.60641146     15.03779996    -11.09713108
  H     11.78759536      6.64265597    -12.74389600
  O     16.66330106      9.75476961    -11.36234772
  H     14.17496925      7.34096622    -11.06996395
  H     10.80734481      7.03844162    -11.62674502
  O     11.36287192      6.31080445    -11.94512141
  H     14.04498360      7.76184971    -12.56515139
  H     12.51251112     12.08927401     -8.44612751
  O     11.98919449     12.89078663     -8.59232607
  H     13.73173023     15.65756997     -7.27184326
  H     12.51190045     13.64191277     -8.28655792
          69
 Energy    -248.45444378624123     
  O     15.44033712     10.52593814    -16.48012749
  H     14.60606193     10.69316603    -16.02504397
  H     18.99387394     10.81575919    -16.78304057
  O     14.97864007      5.14722990    -13.90603307
  H     15.28522316      9.89289451    -17.19353072
  H     16.28834384      9.38678988    -15.28041214
  O     18.04361142     13.12022757    -10.83783341
  H     15.89304316      5.20388448    -13.60095483
  H     17.53267200      8.59028323    -14.77764148
  O     19.44931625      8.61474796    -14.79483966
  H     14.95033891      5.56764799    -14.77643046
  H     12.35071162     11.31060067    -15.05888639
  O     14.89611408      6.91739549    -16.08484934
  H     17.25536299     12.74491785    -10.42505865
  H     12.96803007      9.91742924    -14.78135045
  O     17.72132519      9.71449728     -9.23878439
  H     18.78372478     12.60305985    -10.49602065
  H     16.87718057      8.02831162    -11.63245993
  O     15.29697060      8.46618498    -12.30222602
  H     19.64034837      9.19201508    -15.54563460
  H     18.34170830      8.51414020    -11.80849125
  O     17.45036777     11.98322936    -13.27599818
  H     19.55691046      9.12695841    -13.98307901
  H     13.41757843      7.74581755    -15.30426597
  O     18.58992590      6.19092212    -15.73733628
  H     14.93265446      7.25182281    -16.98779905
  H     12.72603526      7.69033609    -13.93648449
  O     13.22635575      6.58290326    -12.45775106
  H     15.58186906      7.40688124    -15.60546376
  H     19.18659588     10.62088132     -9.58712734
  O     17.66076310      5.48420570    -13.02288303
  H     16.96852079     10.27683876     -9.46110570
  H     20.63134423     11.10429240     -9.30870690
  O     19.59359445     10.12900424    -17.12813835
  H     17.68652651      8.95266260     -9.82954939
  H     19.64818327     10.39458265    -11.65756561
  O     16.57499607      8.66954668    -14.69971343
  H     14.57055355      7.83202163    -12.29847041
  H     18.60902326     10.66663362    -12.77540384
  O     13.16590586     10.87094839    -14.83197941
  H     15.70061034      8.46949520    -13.18713554
  H     15.32706474     11.54737150    -10.85224734
  O     17.79971515      7.80896184    -11.42736176
  H     16.53765719     11.70955244    -13.12239486
  H     15.00231388     11.96627208     -9.40358928
  O     12.77347472      8.20645029    -14.74946501
  H     17.70183057     12.54054310    -12.52449797
  H     18.11725650      7.20055657    -17.22796065
  O     19.92729373     11.13975372     -9.95003891
  H     19.08315172      6.95385447    -15.39754861
  H     18.53049085      8.61738108    -17.71140575
  O     19.24695323     10.01557494    -12.44802273
  H     18.19862801      5.80119988    -14.95018326
  H     14.96947986     10.18668000    -12.39118396
  O     15.70904926     11.65921511     -9.96700829
  H     12.71298730      6.05479009    -11.85362154
  H     14.22251402     11.20192591    -13.28310159
  O     17.92160007      7.88923154    -17.87960055
  H     13.80925201      5.97138024    -12.94575043
  H     17.79255112     12.01570486    -15.10637658
  O     14.83846983     11.13633088    -12.54502309
  H     17.77435446      6.26505501    -12.45975083
  H     16.96696017     11.53465855    -16.31502983
  O     17.83967663     11.86388338    -16.05935881
  H     18.18422483      4.79212808    -12.62335725
  H     15.17592176      8.36796532    -19.33554840
  O     15.35951350      8.45609984    -18.40489751
  H     20.27364206     10.57768084    -17.62241163
  H     16.30462242      8.24181386    -18.28120566
          69
 Energy    -248.45424831417205     
  O     17.97626180     10.80806213    -14.55483101
  H     18.20834452      9.88582853    -14.33928791
  H     16.06929835      4.28258761    -13.63590128
  O     16.61227771      4.05752714    -15.42590320
  H     18.78995064     11.25360926    -14.77292068
  H     12.82553728      9.86889171    -11.43975927
  O     12.51974016      7.80862446    -13.72106127
  H     15.74034749      4.33413928    -15.76294104
  H     12.48990492      8.50234533    -12.05215662
  O     11.86693628      6.60367946     -9.79811344
  H     16.86749791      3.28336964    -15.92063889
  H     15.38247122      9.36202188    -13.41615603
  O     14.20552370      5.07922787    -16.13627451
  H     12.20474481      8.13464491    -14.57203502
  H     15.77171748      7.87716211    -13.23886445
  O     15.64467900     10.75798275    -16.20769464
  H     13.45890852      8.05540938    -13.67080666
  H     18.25005770      7.70631501    -14.73399239
  O     17.47238754      6.73736751    -16.05290151
  H     12.01527706      7.47213337    -10.19198670
  H     18.10345111      7.79317880    -13.20387795
  O     14.33919980      5.94573421     -8.49955406
  H     12.62296571      6.43960722     -9.22035568
  H     11.48355007      9.07442308    -16.92255306
  O     14.82803412      7.90982757    -16.38099335
  H     14.34374189      6.02013127    -16.29636846
  H     12.43046206      9.77983132    -15.91657795
  O     11.72630475      4.28856581    -11.22593524
  H     13.65161158      5.01360904    -15.34633767
  H     13.11357830     11.31939383    -14.21788527
  O     14.43594951      3.96358820    -10.33633850
  H     16.48702003     10.79643342    -15.73825189
  H     14.00967491     11.17471792    -15.48449852
  O     15.60975233      4.56479756    -12.83570839
  H     15.54605800      9.84607038    -16.49946799
  H     12.74269802      6.04545256    -13.63070444
  O     12.70260563      8.93912432    -11.21397081
  H     16.64312663      7.09881061    -16.38438321
  H     12.46581849      4.72627530    -12.87094946
  O     15.16101377      8.46720145    -13.69858038
  H     17.29545831      5.81097201    -15.84885716
  H     13.19228124     12.38725773    -11.92897012
  O     18.50510171      8.23416723    -13.96185582
  H     14.53438535      5.61530793     -7.62724499
  H     14.30185774     11.41082019    -12.38149543
  O     12.17315003      8.91335446    -16.28523586
  H     14.44428090      5.19866567     -9.11662660
  H     16.47464369      6.06190030    -12.28703603
  O     13.09313261     11.16928827    -15.16804208
  H     13.92337151      8.21722272    -16.52609019
  H     16.29394701      7.28479541    -11.34016755
  O     12.96942625      5.10441474    -13.60173393
  H     15.02414004      8.09532551    -15.44752649
  H     16.38031730     10.73275424    -11.78225933
  O     13.33911403     11.51217551    -12.28070263
  H     11.69172360      5.13145799    -10.73904899
  H     16.68748196     11.06666603    -13.27595153
  O     16.81514385      6.94339215    -12.07889722
  H     10.92869213      3.81276715    -11.01071502
  H     16.35130180      9.41579328    -10.04932206
  O     15.97581072     10.96571995    -12.63157366
  H     14.96951876      4.05247472    -11.13660512
  H     17.83794706      9.80407985     -9.97957319
  O     16.97643527     10.13889189    -10.21876048
  H     13.51899085      3.90412637    -10.63303224
  H     14.93247232      7.37428158     -9.46915813
  O     15.15678526      8.06691535    -10.10331432
  H     14.70466880      4.78153036    -13.10475916
  H     14.33031418      8.36972409    -10.50313877
          69
 Energy    -248.45413784673099     
  O      4.67074249      3.93036980      5.09684090
  H      4.00000095      3.63720273      4.46791047
  H      3.85016415     -0.66215367     -0.08270987
  O      7.28499443     -1.76609547      5.18557729
  H      5.50985866      3.89554439      4.61766098
  H      2.43957864     -1.66858412      2.40893247
  O      7.67649132      0.77813822      6.37217569
  H      6.32448948     -1.66150875      5.15264457
  H      2.17197850     -0.54467437      1.39449021
  O      8.68937579     -0.50050636      3.15828423
  H      7.47868023     -2.68310736      4.94471412
  H      5.76024119     -2.45223972      0.26594523
  O      6.96693862      3.22654530      3.61121799
  H      7.57470891     -0.15630124      6.15464992
  H      5.86134904     -0.94195112      0.60287708
  O      5.11382857      1.74087438      6.77455510
  H      6.79403569      1.11852877      6.58206565
  H      3.71248231      1.70186615      0.25233202
  O      9.19178020     -2.93386854      1.89932235
  H      9.03992280      0.31101959      3.54473304
  H      3.58257929      2.68021532      1.43479347
  O      1.09481363      0.69046114      4.25437469
  H      8.16731095     -0.92880414      3.85528765
  H      2.15729868     -0.08678936      7.22550714
  O      6.93142089      0.31599553      1.17537543
  H      7.82237229      2.87123931      3.88316982
  H      2.10219566      0.32336186      5.73719202
  O      7.79630754     -4.22928608      4.07389879
  H      6.95748461      3.27513516      2.64700010
  H      2.28922257      2.02597829      3.56334841
  O      5.46330415     -5.09863011      2.66138090
  H      4.93407909      2.56431362      6.29784919
  H      3.79882364      1.90351426      3.27562037
  O      3.10185990     -0.05326001     -0.20697959
  H      4.30015177      1.23060857      6.73639583
  H      3.94985188     -0.94470254      5.51424855
  O      1.86204434     -0.91692068      2.22872163
  H     10.10998255     -3.03703384      1.65961538
  H      4.86332622     -0.42544785      4.38053345
  O      5.23376036     -1.64983163      0.39250988
  H      9.10749011     -2.05185047      2.29473292
  H     10.04775638      2.25282205      4.94251545
  O      4.03674575      2.54423099      0.59173206
  H      1.34243779      0.08391908      3.53220493
  H      8.71940604      1.52493305      5.27216216
  O      2.70143398      0.07493825      6.45829905
  H      0.15634537      0.84131320      4.17650723
  H      7.68402904     -3.54816526      0.87940665
  O      3.04226351      2.50753250      3.20606638
  H      7.61933244      0.08130499      1.81414775
  H      6.43886704     -4.41653049      1.14473095
  O      4.58814570     -1.22957482      4.85147384
  H      7.01171410      1.25233533      0.95494987
  H      6.94256825      3.71093314      0.11703650
  O      9.26500130      1.88353464      4.54381759
  H      8.35227497     -3.93427433      3.34256828
  H      5.72280961      2.94040406      0.67913702
  O      6.85458007     -3.84668908      0.48560078
  H      7.00898678     -4.61182136      3.66681718
  H      5.86467755      1.67758678      3.72866164
  O      6.68355827      3.07626309      0.77934691
  H      4.86039689     -4.33776132      2.70704688
  H      5.74642998      0.66423743      2.57489508
  O      5.33132296      0.94200178      3.39968235
  H      4.92285971     -5.88169609      2.72726733
  H      4.43534819     -2.34773452      1.91207547
  O      3.98856669     -2.77288543      2.65837803
  H      2.73543844     -0.24480659     -1.06724272
  H      4.20854943     -2.27586844      3.46125624
          69
 Energy    -248.45411951026185     
  O     11.52518394      3.27387070    -11.59357975
  H     11.38575419      3.79837820    -10.79633907
  H     17.59285652      6.42285696    -12.82338796
  O     17.81250906      4.63239235    -10.56470163
  H     11.07808882      3.74236851    -12.30694530
  H     14.38602168      5.24691494    -12.16650130
  O     14.77162956      8.45372273    -11.60918851
  H     17.84052596      4.75015457    -11.52235174
  H     14.01480708      5.41984297    -10.65921127
  O     15.07912169     10.30229903    -15.50311204
  H     17.15748091      3.95025347    -10.37561706
  H     14.48458579      2.90221244    -12.61523234
  O     17.98541395      7.08070498     -9.43139439
  H     14.40644010      8.85200072    -10.81088645
  H     13.20111734      2.58896291    -11.80546547
  O     14.07975558      4.70567346     -8.95114313
  H     14.57157112      7.50551711    -11.54678031
  H     12.75928295      8.54166795     -9.37275263
  O     15.81848042      2.70566236     -9.86700275
  H     15.28183695     11.16014170    -15.86507491
  H     13.26986249      9.83072172     -8.68767086
  O     13.53938667      8.53390378    -14.10431594
  H     15.93028938      9.91370160    -15.23771629
  H     11.31088476      6.65956787     -9.58691407
  O     11.37418817      4.81430850     -9.14483531
  H     18.76540849      7.13211511     -8.88493771
  H     11.35861853      7.51384811    -10.86478981
  O     17.37064648      9.00072747    -14.72422954
  H     17.94612317      6.16979892     -9.77714963
  H     17.77385291      7.86207586    -11.14119848
  O     17.06547778      6.39580989    -15.90045019
  H     14.56924311      5.47403100     -8.61591633
  H     16.51878385      8.29343056    -11.91847063
  O     17.65078065      5.55723715    -13.25514060
  H     14.70448289      3.99401103     -9.13450631
  H     16.24004689      7.13104932     -8.65646735
  O     13.98382637      5.84421460    -11.52370545
  H     15.21517609      2.50203141    -10.60567243
  H     14.82446084      7.75773050     -8.51890715
  O     14.12866722      2.33533921    -11.91792114
  H     16.07827321      1.87129936     -9.48580769
  H     12.46235895      6.50114527    -12.22182972
  O     13.55966787      9.05321437     -9.15700852
  H     13.93903855      9.21303392    -14.66648239
  H     12.17068454      7.61979195    -13.24803745
  O     11.40202382      7.56770157     -9.90167554
  H     13.99074604      8.59869594    -13.25001235
  H     16.07631308      4.66193595    -13.38331992
  O     17.45498482      8.06754321    -12.02814651
  H     12.33167873      4.72981623     -8.98927709
  H     14.81207905      4.90780191    -14.23305980
  O     15.36298254      6.99435983     -8.27832990
  H     10.93985072      4.42865290     -8.38773546
  H     10.77643526      5.69868169    -13.32195182
  O     11.74250462      6.98647039    -12.65692922
  H     17.53249098      8.79737166    -13.79463132
  H      9.42480472      5.07310934    -13.74306693
  O     15.17228947      4.35140159    -13.53068165
  H     17.35813598      8.15181765    -15.18283854
  H     11.52982139      4.61515612    -15.09469783
  O     10.36078199      4.89746709    -13.68698070
  H     16.09702228      6.34090905    -15.83242308
  H     12.26643522      3.58714825    -15.96067652
  O     12.19976220      4.52427040    -15.78772088
  H     17.29156131      6.15329844    -16.79478312
  H     13.56974926      5.69581565    -15.70025388
  O     14.35068106      6.21441604    -15.46016926
  H     17.63884433      5.73899541    -14.20300642
  H     14.04945859      7.02145696    -15.02081645
          69
 Ord_Energy   -248.454056    
 O   -5.26720333       1.16172159       3.17630363    
 H   -4.84208488       2.02674818       3.10984230    
 H   -4.61481810      0.497253388       2.90324759    
 O   -3.70777369      -1.02673101       2.53783298    
 H   -3.77061510      -1.53735757       3.35361505    
 H   -4.28167343      -1.46686304       1.89605463    
 O   -3.51076961      -3.56570411     -0.738383710    
 H   -2.99955964      -2.76203609     -0.935296595    
 H   -3.50859499      -4.09268808      -1.53347003    
 O   -5.49980783      -2.44238400      0.901237845    
 H   -5.64194632      -3.08864713       1.60550356    
 H   -4.91620779      -2.85925436      0.253136635    
 O   -3.87348962       3.56660008       2.89901781    
 H   -3.45078254       3.38987064       2.04000568    
 H   -4.07130051       4.49927378       2.92032743    
 O   -2.85106587       1.93789494      -3.20489025    
 H   -3.35222626       1.58436584      -2.45096159    
 H   -3.46004581       1.99210918      -3.93692589    
 O  -0.282277405       1.59330881       1.61505687    
 H  -0.532463789       1.90264750       2.49932122    
 H  -0.494342983      0.649177611       1.57751560    
 O   0.784539163       2.22309279     -0.836319685    
 H   0.488954425       2.01963329       6.72652274E-02
 H    1.71762896       2.41370416     -0.779603541    
 O   -5.45388699      -4.22124481       3.08824420    
 H   -6.01458883      -4.87349749       3.50019789    
 H   -5.10851622      -3.65670061       3.80093646    
 O   -1.42882240       3.86631608      -1.63582170    
 H  -0.591705918       3.41527510      -1.46195543    
 H   -1.88349819       3.33632970      -2.30297375    
 O   -2.86207891      -4.66414118       1.85696077    
 H   -3.73037672      -4.64242506       2.27463222    
 H   -2.99937224      -4.35291004      0.954245031    
 O   -5.25736332       3.30732800E-02   5.67538023    
 H   -5.86117601      0.440571010       6.29065704    
 H   -5.37258673      0.487974465       4.82362413    
 O  -0.526564538      0.361371726      -2.59195185    
 H   -1.23171389      0.910661697      -2.95806074    
 H   -1.35690003E-04  0.945575774      -2.03203702    
 O   -2.23064780      -1.20111740      -1.14227927    
 H   -2.89519143     -0.510093927      -1.00801826    
 H   -1.54370439     -0.807622790      -1.69944751    
 O   -1.42837441       2.35812163       3.95967174    
 H   -2.23379755       2.84963083       3.77037787    
 H   -1.68380463       1.65557992       4.57560205    
 O   -4.35328531      -2.50170994       4.90783739    
 H   -4.75323296      -1.70043051       5.27141857    
 H   -3.46328092      -2.58171344       5.27902699    
 O   -6.20955610      0.277749211      0.570291340    
 H   -6.15475845     -0.683797717      0.656332374    
 H   -6.11003065      0.637008846       1.45991671    
 O   -2.34656692      0.338070452       5.63224030    
 H   -3.30006313      0.293371558       5.75940657    
 H   -2.02838564     -0.571175277       5.67913389    
 O   -2.57400274       2.84495783      0.626458943    
 H   -2.24959135       3.35451841     -0.130220622    
 H   -1.81100142       2.38113809      0.998534381    
 O   -1.18078744     -0.988446593       1.44137716    
 H   -1.39799523      -1.13508391      0.512349546    
 H   -2.03235579     -0.946367383       1.90355980    
 O   -1.69414604      -2.46339631       5.68064070    
 H   -1.35487819      -2.72869182       4.80524683    
 H   -1.11928356      -2.85774660       6.33022833    
 O   -3.96911573      0.959308684     -0.867204487    
 H   -4.81736183      0.748213470     -0.453366548    
 H   -3.52167988       1.59796381     -0.294416368    
 O  -0.945612907      -3.16769433       3.21122360    
 H   -1.55237389      -3.77743554       2.76680136    
 H  -0.806940436      -2.44129539       2.59133983    
          69
 Energy    -248.45403195279340     
  O     -5.88323232      0.00905579      0.55144349
  H     -5.84652539     -0.30494993      1.46410387
  H      1.49466615      3.48663318      2.88018886
  O     -5.36122289     -0.67046903      3.22354693
  H     -5.63575165      0.94394422      0.59181593
  H     -0.92974741      4.32389133      2.34059701
  O      0.68977510     -0.97851766      0.28088778
  H     -5.88086566     -0.96313639      3.96751993
  H     -1.69997483      4.75256931      1.08932929
  O     -1.65694536     -0.37737300     -1.08552546
  H     -4.89498882      0.13549598      3.50962710
  H     -3.98642395      2.20819448      0.65479095
  O     -3.35731160     -0.44217063     -4.83371410
  H      1.35875043     -1.65251134      0.20407723
  H     -4.89165347      3.24207210      1.33769738
  O     -3.99086936     -1.72585893     -0.57237912
  H      0.22262908     -1.13825775      1.12334580
  H     -0.95097012      3.87454810     -1.25122908
  O     -2.27203165      1.38568151     -3.03396892
  H     -2.40332116     -0.94955911     -0.85562968
  H     -2.33993994      4.56163565     -1.24757094
  O     -4.72035000      2.45847590     -2.14612700
  H     -0.85101415     -0.71322037     -0.67527132
  H     -4.36308409     -1.49897013     -3.82577816
  O      1.10112511      1.85558627      0.19248115
  H     -3.41865445     -0.07093625     -5.71060827
  H     -5.24816460     -2.76102718     -3.70332836
  O      0.05509089      2.74573638     -2.37288572
  H     -2.92000517      0.23027408     -4.28913440
  H     -1.73701793      1.45829391      2.26094912
  O     -0.72415120     -1.31023242      2.51134837
  H     -4.63301559     -1.10387508     -0.19941057
  H     -0.61051122      1.95130856      3.17643073
  O      0.64862182      3.21881206      2.53159562
  H     -4.30483171     -1.94960599     -1.45675595
  H     -3.96375435     -1.81776280      2.56321667
  O     -1.73260372      4.77552927      2.05593656
  H     -2.03329417      0.70025451     -2.38720225
  H     -3.50180720     -2.29865209      1.17813165
  O     -4.87687009      2.59687718      0.62298377
  H     -3.09358173      1.79587936     -2.72931791
  H     -2.04637314      1.02080186      0.01245734
  O     -1.64572155      4.20880565     -0.67241931
  H     -5.35113773      1.75221133     -2.34410416
  H     -2.01264975      2.57917763      0.16939923
  O     -4.93442203     -2.00081342     -3.22015995
  H     -4.79398826      2.61565430     -1.19340597
  H     -3.36583830      4.42422858      2.61159520
  O     -1.35724491      1.34314041      3.14699696
  H      0.82278090      2.11597787     -0.69232736
  H     -4.62650823      4.97626753      3.31104234
  O     -3.27112612     -2.31793652      2.11509065
  H      1.02153688      0.89395944      0.22958151
  H     -6.43770951      0.12655254     -1.29687915
  O     -2.31016938      1.75556696      0.57927188
  H     -0.73869681      2.29207478     -2.70134157
  H     -6.02555257     -0.51311003     -2.63532733
  O     -4.28489862      4.21238508      2.85418922
  H      0.56003952      3.00325315     -3.14043009
  H     -3.05555350      1.44443885      3.85179782
  O     -6.40762096      0.28382879     -2.25009073
  H     -1.58431640     -1.74556028      2.42084896
  H     -4.18967442      2.46271082      3.66774549
  O     -4.00950003      1.56270770      3.96121837
  H     -0.90162208     -0.43537769      2.88018613
  H     -4.30887145      5.66225335     -2.55061457
  O     -3.65516179      4.98311423     -2.40411172
  H      0.82792887      2.76255629      1.69045960
  H     -4.13209631      4.13853270     -2.44541120
          69
 Energy    -248.45382849553286     
  O     13.52382956     10.06703187    -16.44522263
  H     13.29936933      9.86270902    -15.51862768
  H     17.00696708      4.70351480    -15.44142576
  O     16.58166193      6.11296414    -12.78439590
  H     12.75412626     10.48292406    -16.82532967
  H     16.91510796     10.18773657    -17.47749221
  O     18.94322290     10.03685896    -13.37132163
  H     16.51937033      6.83554503    -13.42714252
  H     18.28926319      9.73990689    -18.02087679
  O     20.03099031      9.92015496    -17.37457625
  H     16.58132229      5.30745655    -13.31368401
  H     15.73422017      7.76981108    -15.45451137
  O     13.83447874      5.36325165    -15.08061282
  H     17.99209474     10.22671769    -13.36907762
  H     17.25346625      8.01219038    -15.15541955
  O     16.47828714     10.00212603     -9.65003634
  H     19.16796810      9.85373618    -12.45162357
  H     13.34138157      9.69278485    -13.09701672
  O     14.40209457      6.96209563    -11.30711208
  H     19.74579048     10.64886915    -16.79245639
  H     12.66243438      8.45059588    -13.70269727
  O     16.23234443     10.41060031    -13.56262962
  H     20.87490957     10.17002712    -17.73917032
  H     17.40740575      6.91335120     -9.89748474
  O     17.96958314      5.70875576    -16.51287550
  H     14.66810652      4.88909053    -14.98603804
  H     17.70277850      6.54634852    -11.36307521
  O     15.78138193      7.28796482     -8.94564868
  H     13.98468323      6.03549019    -15.76092360
  H     11.50064350      6.24355201    -13.17762480
  O     19.08550659      8.08875966    -15.41230017
  H     16.28492668      9.13896568     -9.26229076
  H     12.88245901      6.12522899    -13.86471748
  O     16.45329807      4.18818780    -14.82800845
  H     17.37753672      9.93736528     -9.99144637
  H     19.04860692     11.27808947    -14.81153689
  O     17.33833550      9.61625089    -18.13080831
  H     13.61736101      6.79411380    -11.84281761
  H     18.02847774     11.78019932    -15.86422106
  O     16.36841353      7.99859565    -14.76565042
  H     15.15415535      6.61151491    -11.80776478
  H     18.85854435      8.45249647    -10.63883255
  O     12.91005213      9.36311093    -13.89459961
  H     16.19907228      9.54047181    -13.99506691
  H     19.89368331      9.43519974    -10.04378230
  O     18.11402777      6.87915270    -10.55405625
  H     15.63285843     10.35208267    -12.81053665
  H     16.86603441      8.02372681    -18.48857568
  O     12.37429945      6.62452629    -13.19954606
  H     17.53630099      6.11262345    -17.27482740
  H     16.61230017      6.92238832    -19.54945995
  O     18.97097489     11.72143306    -15.66785921
  H     18.51413223      6.40079807    -16.11627974
  H     15.09187309     10.05634882    -10.83034847
  O     19.16317921      9.37765812    -10.65444355
  H     15.35529575      6.90194603     -8.18477333
  H     14.41505185      8.83891057    -11.47482940
  O     16.57752725      7.10008289    -18.61367156
  H     15.19123319      7.13574292     -9.70301046
  H     16.16269091     11.10290296    -15.21468228
  O     14.46486841      9.80292206    -11.52432119
  H     19.45920077      8.60331548    -16.13840827
  H     15.21345711     11.00418881    -16.40117448
  O     16.11272786     11.26582578    -16.16901864
  H     19.14843682      8.65524483    -14.63002050
  H     14.14623619      8.34096382    -16.82644167
  O     14.50081996      7.44346884    -16.78959497
  H     16.70642910      3.27523998    -14.93507568
  H     15.11816942      7.32138953    -17.52278124
          69
 Energy    -248.45378889587104     
  O     19.13420588     10.03079436    -14.34344603
  H     19.67718617      9.27625088    -14.07002267
  H     20.70937253      6.96767905    -13.90232165
  O     20.57969999      7.29576305    -10.68456013
  H     18.70504432      9.77025331    -15.16675705
  H     19.04132768      3.40507259    -13.32433204
  O     15.71063402      8.55883966    -10.53039079
  H     19.78251361      7.55794594    -10.21159027
  H     20.20374601      4.29307406    -13.84257269
  O     12.81151043     10.31316280    -13.79426393
  H     20.66525176      6.34051127    -10.56700932
  H     15.82603290      9.34356939    -14.07335681
  O     17.43906229      9.10810135    -16.52976236
  H     14.83633439      8.97405660    -10.53809491
  H     14.42365523      9.78041503    -14.57095191
  O     11.65119182      7.86062293    -14.00370654
  H     16.18925563      8.92903738    -11.28880056
  H     17.88247900      6.09338054    -12.00336556
  O     17.90034836      5.22523870    -10.30581586
  H     12.22402535     11.02333125    -14.03953291
  H     18.73301431      6.91122476    -13.03053213
  O     14.39674551      6.31456513    -11.74714880
  H     12.31460743      9.48360581    -13.91208685
  H     14.27531927      6.57842406    -13.55402487
  O     20.55661837      4.43914326    -10.58818987
  H     16.61485651      9.19151871    -16.02411788
  H     14.56951737      7.59289861    -14.69596300
  O     15.76619339      3.96463093    -11.49853824
  H     17.31198928      9.60860755    -17.33294511
  H     18.05944473      8.18445112     -8.35882546
  O     17.25419044      2.91014002    -13.76453416
  H     11.51292614      7.55018789    -13.09940536
  H     17.17534327      8.09742128     -9.61874612
  O     20.34980586      7.69757416    -13.38514452
  H     12.39426893      7.34385742    -14.34308151
  H     21.45650279      5.36221467    -15.77903750
  O     19.92039238      3.73711586    -13.10616642
  H     17.90988828      6.04470090     -9.79418662
  H     20.00220697      5.87304105    -15.64733445
  O     15.22850184      9.31922490    -14.83744580
  H     18.79708947      4.86649875    -10.29305329
  H     12.58744812      8.79756847    -10.98963852
  O     17.84180718      6.59398903    -12.82618398
  H     14.92838259      6.98892242    -11.30747722
  H     13.11503740      9.92774172    -11.88582935
  O     14.20223702      6.71706234    -14.51092307
  H     14.83318091      5.45524070    -11.64724068
  H     15.65743943      5.66184795    -14.90397624
  O     18.00538587      7.78235700     -9.22253772
  H     20.38232839      4.15246929    -11.50386842
  H     17.00327264      5.75937498    -14.14468644
  O     20.76489007      5.53253899    -15.14510781
  H     21.14308872      3.79455654    -10.20278829
  H     18.24657477      7.37708191    -16.50456501
  O     13.18649473      9.55446641    -10.99950398
  H     16.18869195      3.49264022    -12.22381147
  H     17.81475057      5.98238795    -16.02494523
  O     16.54898676      5.29401021    -14.86694860
  H     16.49297662      4.30276984    -10.95400097
  H     12.69600089      6.69036334    -11.40592817
  O     18.55771832      6.46985220    -16.40637766
  H     16.95905052      3.69493055    -14.25825065
  H     11.34698599      6.45963771    -10.68669172
  O     11.80031036      7.05049169    -11.28208022
  H     17.00275561      2.14946054    -14.28272342
  H     17.78047654      9.68343858    -13.21493899
  O     17.04039118      9.22437041    -12.79299033
  H     20.59584078      7.59287107    -12.45325362
  H     17.26325159      8.28081977    -12.80351454
          69
 Energy    -248.45368097043215     
  O     16.41689819     10.64980307    -16.89826086
  H     15.50464935     10.77057741    -16.60721803
  H     17.49731422      6.50097969    -11.27837138
  O     14.99283979      5.75366542    -13.01708735
  H     16.39161491     10.06187497    -17.66490210
  H     21.20245155      9.87381604    -16.84623023
  O     17.62309408     13.69601534    -11.17391826
  H     15.80960191      5.54077538    -12.54982760
  H     19.84983918     10.36382631    -16.27297864
  O     19.64926563      8.39759008    -14.04874276
  H     15.21917536      5.76430877    -13.95762318
  H     17.89421589      8.58637580    -14.62264140
  O     14.20607568      8.07041976    -17.05637378
  H     17.83318459     14.60292381    -10.96554701
  H     16.88005965      9.35967359    -15.53210806
  O     16.83023482     10.45605630     -9.18004230
  H     18.18505994     13.13975217    -10.61092685
  H     12.94061568     10.85850602    -16.27042959
  O     15.24360068      8.47040065    -12.73548988
  H     20.05750124      8.80901593    -14.82176938
  H     13.84702454      9.60895988    -16.26573489
  O     17.48249644     11.96870275    -13.38915715
  H     19.64068618      9.03902058    -13.32581458
  H     16.52769425      8.37153411    -11.49976638
  O     19.10765900      5.67848748    -13.92987085
  H     14.82724321      8.22340635    -17.77953995
  H     17.98648099      8.86536283    -11.31000226
  O     18.36321447      5.22056394    -16.47604371
  H     14.57744640      7.32374482    -16.56880252
  H     19.65059358     11.86215946     -8.90816464
  O     15.84547308      6.24995053    -15.67369203
  H     16.14148839     10.96522194     -9.63374420
  H     18.27591065     11.34039748     -9.40048074
  O     17.51000154      5.57556431    -11.57360431
  H     16.88292693      9.60263385     -9.62571987
  H     18.52264625     10.76148297    -12.54369779
  O     20.38619776      9.57071914    -16.45808008
  H     14.94663415      7.55006164    -12.75858291
  H     19.30476063     10.70575724    -11.21641258
  O     16.96300556      8.67401277    -14.86019186
  H     15.84403954      8.57870854    -13.49107994
  H     14.91266315     11.85111190    -11.57543436
  O     13.77139495     10.52458755    -15.94130063
  H     16.56306143     11.67131834    -13.43085128
  H     15.87583600     12.80238845    -10.84612526
  O     17.32088108      8.26405483    -10.95175924
  H     17.52224310     12.67906077    -12.73664098
  H     19.26111718      8.27929850    -17.37665464
  O     19.07030168     11.84407316     -9.66374845
  H     19.40164630      6.60046862    -13.91507145
  H     18.61045793      6.86543889    -17.36629879
  O     19.10679480     10.19956981    -12.01158339
  H     18.57935934      5.55370260    -13.13311480
  H     14.84876130     10.17881008    -12.99672113
  O     15.19840021     12.13306037    -10.69730264
  H     18.68251755      4.37112228    -16.76756455
  H     14.38002107     11.01946862    -14.19343665
  O     18.62827959      7.71191672    -17.83067247
  H     18.65527527      5.32810877    -15.55210161
  H     17.95771233     11.42141035    -16.37483673
  O     14.80953882     11.08807995    -13.33359972
  H     16.57210595      5.73665809    -16.04385203
  H     18.44092141     11.85419683    -14.99142322
  O     18.75996149     11.63549978    -15.87586664
  H     16.24627386      7.09109703    -15.40469780
  H     17.16320784      8.28849295    -18.53922510
  O     16.33977110      8.68407947    -18.87933960
  H     17.61361406      5.04258039    -10.78876758
  H     16.39741434      8.66289066    -19.83041491
          69
 Energy    -248.45367836352551     
  O      4.97458484     -7.54924719     -1.06043775
  H      4.29735271     -8.02466572     -0.56047637
  H      3.61290647     -5.36009326     -0.12436264
  O      1.61334470     -8.45103338     -3.73569329
  H      5.07735286     -6.70622163     -0.60268105
  H      3.15155923     -5.70031396     -3.66397649
  O     -1.29533689     -7.98617795     -0.36439503
  H      1.06520921     -7.66002859     -3.84214297
  H      1.64788699     -5.34078116     -3.86068837
  O      1.66683202     -2.78222537     -1.94322284
  H      2.53088626     -8.15859151     -3.76669630
  H      1.43416003     -8.02668196      3.58267317
  O      4.20975386     -7.27660281     -3.66713863
  H     -0.57246304     -8.53645916     -0.69809232
  H      0.98124250     -7.03048442      2.48782828
  O      0.05224256     -6.14926101     -4.11740168
  H     -2.12036996     -8.41184971     -0.62899904
  H     -0.70870614    -10.59635195     -2.09635954
  O      1.91426613     -3.17388078      1.89950874
  H      2.42650256     -2.53126656     -1.40296179
  H     -2.22316202    -10.36709184     -2.27232777
  O     -0.60226390     -9.71409689     -5.01625167
  H      1.99978513     -3.42224284     -2.58582521
  H     -3.00083301     -7.16398332     -4.10829253
  O      0.75144265     -9.56868372     -1.34403613
  H      4.52635092     -7.39831961     -2.75522957
  H     -2.88146043     -6.35752406     -2.79796297
  O      0.12829471     -3.97193824     -0.01640250
  H      4.93762702     -7.50035853     -4.24149634
  H      2.42273374     -8.20014888      1.24745946
  O     -1.38792518     -5.61364777     -1.80955189
  H     -0.59433966     -6.48179424     -4.75174425
  H      2.34945560     -7.52870607     -0.13710781
  O      4.43853993     -5.07952341      0.30135903
  H     -0.43740764     -5.91450648     -3.31564628
  H     -4.43824380     -9.36378767     -1.34201444
  O      2.47964355     -5.03634716     -3.46610405
  H      2.41209211     -3.85579388      2.36433318
  H     -3.57689343     -8.41331836     -2.20815593
  O      1.76178693     -7.43858712      2.90722713
  H      2.54883615     -2.74728867      1.30924716
  H      1.35470797     -5.33112525     -0.49012929
  O     -1.46985504    -10.84807560     -2.63515407
  H      0.27955997     -9.44531144     -4.73277364
  H      2.17644008     -5.66097084     -1.76168440
  O     -3.41997959     -7.01865890     -3.25051450
  H     -0.97508399    -10.20709460     -4.27024054
  H     -2.20230681     -7.45227320     -6.54210309
  O      2.62327137     -8.34355300      0.31696878
  H      1.06157701     -9.22885752     -2.19642851
  H     -1.49659099     -8.31305755     -5.46414792
  O     -3.53795200     -9.14159566     -1.56246071
  H      1.44229747     -9.35529561     -0.70436303
  H      3.97665967     -5.28819726      3.82581543
  O      2.03791789     -5.91449234     -0.83998974
  H      0.60972222     -3.65503604      0.76352601
  H      2.94697712     -6.08841916      2.99815289
  O     -1.91854878     -7.44997720     -5.63242798
  H      0.51823769     -3.48677026     -0.76256126
  H      4.60354204     -1.82392904     -0.14223801
  O      3.54616636     -5.32521706      2.97482414
  H     -1.33166436     -6.44647146     -1.31637611
  H      4.19026442     -3.30834404     -0.01808246
  O      3.84694223     -2.40348165     -0.09971772
  H     -1.06160839     -4.92553205     -1.22060905
  H     -0.36367430     -5.48460337      1.21372459
  O     -0.34337863     -6.34419425      1.64445787
  H      4.29219707     -5.19158262      1.24962213
  H     -0.74506219     -6.96710662      1.02039881
          69
 Energy    -248.45353854643821     
  O     15.53504200      9.14772896    -17.38487579
  H     16.35321471      8.87859699    -16.95429328
  H     15.27702615     10.90494902    -17.62169199
  O     15.44431737      8.72580986    -11.66110990
  H     14.82116991      8.74016663    -16.87595450
  H     12.28484483     13.04128048    -17.18532975
  O     17.96849705     15.02502209    -12.80386007
  H     16.04292346      9.46421617    -11.47901147
  H     13.70619949     12.45936088    -16.97820166
  O     13.64652841      8.21852528    -15.50886798
  H     15.68869012      8.34306213    -12.51356139
  H     18.73448354     11.93099745    -13.53194223
  O     14.01280224      6.57612592    -10.63133885
  H     17.06073109     14.92621192    -12.46571714
  H     18.60113272     13.25200203    -12.73217596
  O     14.67741383      5.14923588    -12.84651338
  H     18.34726856     15.77602540    -12.35438287
  H     18.43524255      7.71501113    -15.99210359
  O     15.75101478     11.48292245    -13.98986777
  H     13.06788942      7.58705334    -15.05776487
  H     17.20728426      8.00574986    -15.10207406
  O     13.13184800     10.25108478    -11.84754006
  H     13.38534421      9.10301850    -15.21763892
  H     11.98987205      6.93494829    -13.07598104
  O     15.86628083      7.38374465    -14.09382947
  H     14.60207974      7.32350739    -10.81356893
  H     13.02131161      5.90226619    -13.56750420
  O     18.21817019     11.13712737    -15.19747687
  H     13.12098187      6.92446330    -10.74929615
  H     13.96602172     12.53438263     -9.66066129
  O     13.18058034     10.77802966    -14.55838559
  H     14.83360506      4.22408055    -12.67824176
  H     13.82849043     11.74071612    -10.97342193
  O     15.15832066     11.86641983    -17.64480539
  H     14.46452152      5.56004931    -11.98937605
  H     16.22202834     14.66224760    -15.33739591
  O     12.90687742     12.77664396    -16.51438303
  H     16.02270364     11.37028482    -13.07174851
  H     17.57242002     14.95690138    -14.67304971
  O     18.78038292     12.30738827    -12.64321248
  H     16.54996169     11.36523606    -14.51954970
  H     17.51865436     11.55347697    -11.66924332
  O     17.82168939      8.40195600    -15.74229105
  H     13.93137522      9.70406296    -11.78807152
  H     16.13344630     11.71805565    -10.92297751
  O     12.30335221      6.47474860    -13.86383340
  H     13.00835004     10.47578184    -12.78152222
  H     13.94733497     13.74285649    -15.26895853
  O     14.33087643     12.44719693    -10.53877854
  H     15.10856536      7.70570660    -14.60688159
  H     15.07169487     13.13666845    -14.40328235
  O     17.15596804     14.82103909    -15.53214512
  H     15.60041019      6.53315350    -13.72202053
  H     12.03723286      8.80489489    -11.55561438
  O     16.72892868     11.09139926    -11.34700434
  H     18.17654076     11.66240713    -16.00764024
  H     10.74104187      8.09829168    -11.10495746
  O     14.64139649     13.97272401    -14.64132864
  H     18.18141138     10.20206315    -15.43578290
  H     14.96625033     13.97996486    -11.49941032
  O     11.61410791      7.93775554    -11.45502369
  H     14.12437632     10.95469648    -14.40779070
  H     14.97066052     14.56275992    -12.92560443
  O     15.37204970     14.65852478    -12.04969344
  H     12.89023725     11.42714758    -15.20969555
  H     18.33598315     13.27202795    -18.03497960
  O     17.81775345     12.91516108    -17.31896767
  H     16.04018880     12.25054798    -17.61283901
  H     17.62738402     13.65393207    -16.71179498
          69
 Energy    -248.45347055237019     
  O     11.79212631     10.05605423    -13.60697681
  H     11.86960265      9.65187801    -12.73391202
  H     13.90837546     10.53151009    -16.06744267
  O     16.93733984      5.62018704    -12.62545334
  H     11.71359900      9.34122298    -14.25011849
  H     16.03586419      7.01989843    -13.45415764
  O     18.03826523     10.10246343    -12.15056881
  H     17.68250137      6.20655756    -12.42824547
  H     14.63534747      7.23097090    -14.05939933
  O     16.58335072      8.75337982    -16.14999396
  H     16.40606823      5.53950618    -11.82272050
  H     11.32016769      8.78263523    -10.45895594
  O     13.22775752      6.15912880    -14.39838612
  H     17.16454546     10.24481470    -12.54749966
  H     12.39421065      7.97576098    -11.22342143
  O     15.47195513     10.31496731    -13.07390684
  H     17.90316550     10.23336380    -11.20485146
  H     17.33744301      8.30160235     -9.46358382
  O     16.72228653      6.54243431    -17.71998627
  H     16.19181261      8.32596828    -15.37325057
  H     18.13536320      7.31762399    -10.33964293
  O     15.45444103      5.68812630    -10.27472376
  H     17.38603951      9.19097564    -15.83479800
  H     13.84296133      6.16847867    -11.19572922
  O     18.76690562      5.53919550    -16.01759532
  H     12.68189940      6.77316925    -14.90659059
  H     13.05837739      6.19354370    -12.54228092
  O     17.09699412      3.74899946    -14.58580449
  H     13.75858420      5.64563286    -15.02719241
  H     18.71409951     10.00151446    -14.00732445
  O     20.28475469      7.22648769    -14.53849364
  H     14.92442663     10.85602415    -13.65344351
  H     19.42001046      8.91356023    -14.83500253
  O     13.98696968      9.74374331    -16.62090993
  H     15.38062707      9.38986413    -13.34726099
  H     18.60327686      8.36911017    -12.14498303
  O     15.46981466      7.67967963    -13.87036144
  H     16.68275035      7.38398403    -17.23303574
  H     19.49872016      7.32929617    -12.86109406
  O     12.07495745      8.87652908    -11.03431707
  H     16.67555868      6.75902182    -18.64742089
  H     17.14361474     10.76827597     -8.73225981
  O     17.48403228      7.36122144     -9.62863064
  H     16.12240490      6.32710715     -9.96688562
  H     16.12497949     10.16537843     -9.72872202
  O     13.00368878      6.41262724    -11.60228189
  H     15.34306558      5.05243073     -9.57212842
  H     15.47683218      5.44344714    -16.73581941
  O     18.86307734      9.69870139    -14.91060672
  H     18.29129829      4.83332130    -15.56290881
  H     15.63719811      4.39763404    -15.62532326
  O     18.91493541      7.45280745    -12.10199967
  H     18.15633696      5.86979954    -16.68777892
  H     13.69481170      9.75511173    -10.50909053
  O     17.05832715     10.14383490     -9.44727328
  H     17.22007979      2.88381100    -14.20467734
  H     14.83417598     10.30172023    -11.37604559
  O     14.97604581      4.90833249    -16.10874764
  H     17.03346786      4.37869752    -13.84603493
  H     12.91550341     11.20767698    -14.23011716
  O     14.55506031     10.18417479    -10.45623804
  H     19.75789277      6.61669106    -15.08514787
  H     13.35503416     12.64588054    -14.60974687
  O     13.62948176     11.73385785    -14.63687238
  H     21.19776656      7.08713891    -14.77554364
  H     11.25398132      8.15017590    -16.47736296
  O     11.91688092      8.19341144    -15.79315519
  H     14.91323698      9.47517965    -16.57215993
  H     12.66009953      8.70898618    -16.15541724
          69
 Energy    -248.45292313480087     
  O      0.68238927      1.07653701      4.93404240
  H      1.13514160      1.62496265      5.57112689
  H     -1.59416296      2.87816437      1.42338239
  O      2.06010336     -1.77243563     -2.03265030
  H     -0.07491650      0.68202234      5.39569778
  H     -3.06652416      0.74167148      5.24161632
  O     -1.50317491     -0.05166705      6.22053623
  H      1.21344927     -1.35605642     -1.81966391
  H     -3.92923430      1.49143752      4.13376106
  O     -0.21530253     -0.59742410     -0.84999144
  H      2.03797403     -2.63740386     -1.60450752
  H      0.44024851      1.66641254      1.79004330
  O      1.96098907     -4.05159383     -0.28559987
  H     -1.64140212     -0.15155330      7.15915152
  H      0.06852378      1.82186427      3.28477744
  O      3.39345915     -2.39705825      1.34737881
  H     -1.71787369     -0.91411350      5.81857326
  H     -3.01226149      0.57790981     -0.78534461
  O     -4.40642944      2.59039701      2.82116943
  H      0.36666628     -0.15283395     -0.21806913
  H     -2.81492505      1.36392663     -2.10441271
  O     -4.23118249     -3.41846924      3.47884579
  H     -0.91897121      0.02201799     -1.07574539
  H     -2.73818625      0.09470777      3.19800799
  O      3.81946614     -0.29601358     -0.58312588
  H      2.38028731     -4.90648694     -0.33541223
  H     -1.55934309      0.68733569      2.36754643
  O     -6.20224838      0.63255464      1.59238752
  H      2.47563058     -3.52399363      0.35074125
  H     -0.60228769     -2.27919839     -0.24737808
  O     -5.75622045     -1.03019264      3.67084839
  H      2.98962829     -1.96690796      2.11165485
  H      0.15303313     -3.61510582     -0.04863616
  O     -2.40326417      3.06253584      0.92785418
  H      3.69478747     -1.68578740      0.76843948
  H      1.04043795     -1.48104684      3.08456808
  O     -3.78403853      0.65599338      4.60943399
  H     -5.07757356      2.07476189      2.35949588
  H      1.59885529     -0.28618281      3.89039951
  O     -0.24314588      1.99966593      2.38956769
  H     -3.74878319      2.83434075      2.15392729
  H      1.71577774      0.04973900      1.68891524
  O     -2.38819250      1.13599997     -1.28202117
  H     -4.59395211     -4.29503584      3.57939220
  H      2.41781387      0.48217745      0.37914704
  O     -2.14301418     -0.07682856      2.45626729
  H     -3.92217876     -3.35306057      2.55788530
  H     -1.38248361     -2.53067108      4.32493481
  O     -0.68617513     -3.17080552      0.12315729
  H      4.56027833      0.02863528     -1.08693048
  H     -2.86124011     -2.74917415      4.63968987
  O      1.83197661     -0.93333015      3.21653877
  H      3.25807831     -0.80243908     -1.19799336
  H     -0.52230577     -2.71536432      1.89122148
  O      1.61626819      0.60562144      0.90163811
  H     -7.13190287      0.75384138      1.42108596
  H     -1.11186836     -1.50408297      2.64444693
  O     -2.03940688     -2.42490959      5.02713107
  H     -6.13370243      0.00603025      2.33660236
  H     -2.52617831     -3.28830235      0.56597337
  O     -0.49364250     -2.24744468      2.73397874
  H     -5.12885381     -0.46519640      4.14619527
  H     -3.68518109     -2.26953858      0.57440066
  O     -3.42287969     -3.14289731      0.89235398
  H     -5.33081636     -1.89288747      3.60316174
  H     -4.76129642     -0.04857285      0.67976712
  O     -3.91667054     -0.39548924      0.36468008
  H     -2.35933867      2.51162712      0.13892886
  H     -3.28474432     -0.29182693      1.09429768
          69
 Energy    -248.45283966646076     
  O     -4.07621499      1.17808691     -8.91234955
  H     -3.12969977      1.26493168     -8.73752214
  H     -2.63762176      8.62667019    -10.77508815
  O     -5.19484864      3.64761170     -7.94330525
  H     -4.51484515      1.86134804     -8.39074117
  H     -4.52166611      4.80210307    -10.60915017
  O     -2.45016236      4.27013185     -8.00847586
  H     -5.36015046      3.78935720     -8.88392216
  H     -5.06006472      3.45360975    -11.16093497
  O      1.87972301      4.71227931     -7.90404583
  H     -5.32671580      4.51003783     -7.52528337
  H      0.37938721      1.82456648     -8.34105912
  O     -5.90321599      8.48223805    -11.34315086
  H     -3.33470490      3.99560338     -7.74364654
  H      1.62165552      1.13183591     -7.73466693
  O     -1.17950285      5.03943513    -12.24106667
  H     -2.59156326      4.79456797     -8.81354043
  H     -1.11466068      5.49950548     -7.78862672
  O     -2.93887046      7.64981766     -7.50513344
  H      2.26376616      4.89812397     -8.76933205
  H      0.40028052      5.76992841     -7.75210532
  O     -1.32138658      1.92020985     -8.81527548
  H      1.73143791      3.75901047     -7.89297149
  H      0.57958008      2.42644088    -11.31945236
  O     -6.61641046      6.55374213     -9.59634167
  H     -6.24612033      7.85310515    -10.68207062
  H      1.51047393      2.27576665    -10.09754267
  O     -4.23017343      1.80492668    -11.55164499
  H     -6.56696605      9.15676664    -11.45726354
  H     -1.63864818      8.05814913    -12.71190030
  O     -3.05073036      5.65076135    -10.28402654
  H     -1.54043415      5.58413343    -12.95254628
  H     -0.64595125      8.02739909    -11.52277154
  O     -3.34294274      8.42516104    -10.14127653
  H     -0.57748950      5.59035279    -11.71842671
  H     -3.37942998      6.64622788    -13.65142431
  O     -5.33634135      4.30731753    -10.80598894
  H     -2.03478085      7.31544507     -7.50291288
  H     -2.51708594      6.95044029    -14.89868924
  O      1.34436615      1.89133791     -8.24045185
  H     -3.05798819      8.08734383     -8.36047279
  H      2.20098978      4.21563319    -10.88006786
  O     -0.45627441      6.20113447     -7.88932289
  H     -1.30106032      2.03279754     -9.77687734
  H      3.43506981      5.12220924    -11.10403429
  O      1.46607462      2.62385771    -10.99810461
  H     -1.64581338      2.75977427     -8.45450065
  H     -0.01671431      6.58943290     -9.66903341
  O     -1.31719730      8.56965202    -11.96014545
  H     -6.37851743      5.72096781    -10.02257772
  H      1.15612620      6.25417927    -10.63323948
  O     -2.46870901      6.79933713    -13.95841193
  H     -6.21016596      6.53754556     -8.72051295
  H     -1.30478678      3.30976328    -11.85889288
  O      2.58083717      5.09011622    -10.68204229
  H     -4.21389758      1.49854666    -10.62678267
  H     -2.31315088      2.14831088    -11.70162992
  O      0.28913686      6.67772674    -10.58252129
  H     -4.62791008      1.10577570    -12.06495839
  H     -5.21196606      5.60253047    -12.43688034
  O     -1.39044946      2.39015446    -11.56291349
  H     -2.41682014      5.45606524    -10.98508267
  H     -5.33149303      7.13352212    -12.52451009
  O     -4.98293561      6.35835571    -12.98545825
  H     -3.14542618      6.60965827    -10.21642455
  H     -4.42224465      6.76334044     -7.19937398
  O     -5.28429705      6.32749837     -7.07759581
  H     -4.18952476      8.59356059    -10.56996918
  H     -5.64944099      6.67598722     -6.26798524
          69
 Energy    -248.45247965337018     
  O     -2.94432053      2.28160106      1.18840533
  H     -2.00824345      2.10284226      0.99446052
  H     -1.01111805     -4.72883569      0.79987744
  O     -3.83594317     -2.02084500      6.85274640
  H     -3.29656111      2.70426404      0.40985072
  H      2.22201491     -0.33413204      3.46825199
  O      1.13822136      1.22726705      3.17762581
  H     -4.26707654     -1.35780470      6.29826875
  H      2.70970307     -1.69520083      2.91012211
  O     -3.50280099      0.32109572      2.99639291
  H     -2.88406917     -1.92475542      6.71765672
  H     -0.42045248     -1.45065805      1.13840869
  O      1.66551809     -2.50826442      5.88851010
  H      1.27787030      2.05945635      3.62435607
  H      0.66744601     -2.19034434      1.96458067
  O     -4.53124223     -4.44161858      5.83866123
  H      0.34890444      0.82548104      3.57929083
  H     -2.93312975     -3.31255164      1.84690366
  O     -1.12625872     -2.13868851      6.03922732
  H     -2.63382234      0.17413336      3.39536400
  H     -1.41523863     -3.16573342      2.05267403
  O      0.79498243     -4.91305595      4.60637571
  H     -3.40595311      1.04916335      2.36583756
  H      2.09767331     -2.83105753      0.53443708
  O     -5.76070868     -2.86170708      3.75792908
  H      2.01528333     -2.01245391      5.12729486
  H      2.28025475     -3.78359075      1.73719217
  O     -0.33897119      1.60341877      0.68634920
  H      2.33963290     -2.48354047      6.56279032
  H     -4.86799694     -2.41055381      2.25728679
  O      1.82326717     -5.51600512      2.20542362
  H     -4.32636430     -3.60225046      6.29006605
  H     -3.95199735     -1.18776330      2.03545143
  O     -0.23575174     -4.99959282      0.29119985
  H     -4.98030726     -4.99388789      6.47288182
  H      1.41523031     -3.43986985     -1.92473875
  O      2.61989435     -1.17638106      3.71983421
  H     -1.42460862     -2.93071486      5.56665691
  H      0.56669301     -3.78803468     -0.67710572
  O     -0.23185492     -1.84478820      2.00214465
  H     -0.16934396     -2.22467968      6.13411722
  H     -1.09213168     -0.80153987      4.82220343
  O     -2.13131166     -3.81940171      2.02626096
  H      1.13806318     -4.14619895      5.07981122
  H     -0.73589385     -0.82632165      3.31441495
  O      2.34365664     -2.85648048      1.46741454
  H     -0.16659321     -4.88628884      4.70149388
  H     -1.52732313     -1.14803777     -0.76129417
  O     -4.23775747     -2.02051502      1.63446780
  H     -5.41252643     -3.51208724      4.37886660
  H     -0.03131662     -1.58961072     -0.89819317
  O      1.08877747     -3.08327062     -1.10303905
  H     -5.72167303     -2.01648946      4.22382968
  H     -3.66954307     -1.80626753     -0.06847433
  O     -1.01401036     -0.24180974      4.03945592
  H     -0.35295888      0.78793329      0.16657004
  H     -3.81960570     -2.02393193     -1.58092159
  O     -0.61301017     -0.90032183     -0.55445138
  H      0.26656908      1.45901356      1.42104692
  H     -5.82073685      0.38968435      5.20764061
  O     -3.22809547     -1.66995035     -0.92158632
  H      2.35852707     -6.30099451      2.28189123
  H     -4.64029083     -0.02660610      4.30261266
  O     -5.22039073     -0.32803742      5.02215281
  H      1.44916062     -5.34463622      3.08905793
  H     -2.83735669     -4.60035163      5.08035391
  O     -1.96170159     -4.45237640      4.70397526
  H      0.41299370     -5.30671281      0.93749222
  H     -2.07972889     -4.29893048      3.75496446
          69
 Energy    -248.45235680903062     
  O     -7.71036663     -3.98792552      4.94489945
  H     -7.56673592     -4.82647233      5.37600012
  H     -4.77804366      1.87427159      2.58295399
  O     -9.47711303     -1.57177302      1.90688238
  H     -7.06343426     -3.36623099      5.32508805
  H     -6.95976309     -0.36260173      3.58587010
  O     -7.48938390     -3.49449366      2.15370471
  H     -8.92560555     -1.03392889      2.49787469
  H     -8.20687178     -0.05953236      4.47004118
  O     -5.73488302      2.32249899      1.06263856
  H    -10.33585368     -1.65649875      2.33675755
  H     -6.03709728     -1.48688361      6.50429074
  O     -6.39350174      0.12631738      7.44744350
  H     -7.53549132     -3.73068169      3.08818677
  H     -5.53976899     -1.80298419      5.08133111
  O    -10.48832887      2.10797949      1.01668255
  H     -8.26283130     -2.93870274      1.98381036
  H     -1.34297024      3.61779396      2.87423252
  O    -10.07007561     -2.44337580      5.40515883
  H     -6.57850763      2.49107612      1.50767745
  H     -2.45016885      3.42170962      1.82445852
  O     -5.20612392     -0.93241119      3.52349205
  H     -5.85659946      1.53286263      0.52222685
  H    -10.75656498      1.94147893      5.04189928
  O     -3.63074321      4.07552100      0.60062775
  H     -6.08316051      0.33195695      8.32436729
  H    -11.06452111      2.68158556      6.36462121
  O    -11.77332770     -1.59438683      3.51024727
  H     -6.06542135      0.83348631      6.85982801
  H    -11.14983313      1.50872125      2.70177251
  O     -6.20276793     -0.04041813     -0.42258701
  H    -10.02445415      1.41982229      0.50640751
  H    -11.58106140      0.28791901      3.55221297
  O     -4.23191564      1.61543166      3.33706792
  H    -10.98731745      2.62591195      0.39104613
  H     -6.14522187     -2.76331023      1.40316115
  O     -7.87289540     -0.04967915      3.56358992
  H     -9.32686499     -3.03290638      5.23265731
  H     -4.73267104     -2.92700437      0.78863258
  O     -5.90758051     -2.20923721      5.87940044
  H     -9.68875640     -1.64219942      5.79258882
  H     -9.28186723     -0.55653350      0.43141626
  O     -1.96554482      2.97731963      2.53954629
  H     -4.74189936     -0.08395815      3.47542969
  H     -8.14121970      0.13066075     -0.34142691
  O    -10.36048156      2.27308550      5.86839581
  H     -5.13409074     -1.36720445      2.66715520
  H     -8.07565804      0.03000894      6.72305177
  O    -11.39669334      1.23429557      3.59263244
  H     -3.96756154      4.93539842      0.36072907
  H     -9.36648638      0.76103978      6.21224355
  O     -5.38940606     -2.27666766      1.02351724
  H     -4.40982640      3.50444275      0.69670851
  H     -5.10334376      1.98320136      4.98198371
  O     -9.09553424      0.14070070     -0.21605963
  H    -11.20952567     -1.94059016      4.22735317
  H     -6.38754869      2.63874231      5.55892953
  O     -8.87365110     -0.06920277      6.18799362
  H    -12.58787167     -2.08814535      3.53623970
  H     -8.02963828      1.59292231      2.84500708
  O     -5.63578664      2.06954161      5.78038362
  H     -5.92591704     -0.82742029      0.07223495
  H     -8.92384682      2.49073186      1.94923338
  O     -8.09130480      2.47017732      2.43470598
  H     -5.86524497     -0.14633088     -1.31001232
  H     -8.73359153      3.18906046      5.40050051
  O     -7.89575648      3.50133129      5.03965801
  H     -3.36445806      2.01585142      3.19096586
  H     -7.94564740      3.31031192      4.09336481
          69
 Energy    -248.45231686324612     
  O     13.25012065     12.12268703    -15.43212197
  H     13.22080335     11.25822658    -15.87938093
  H     16.67609842     10.77496960    -16.66462759
  O     14.18630444      6.46615741    -13.42928936
  H     12.67341464     12.70539206    -15.91929859
  H     14.62377753      8.98278371    -15.35601276
  O     17.86855889      8.75639441    -11.49886893
  H     13.78586445      5.91129081    -14.10918064
  H     15.55958375      9.25426476    -14.13890622
  O     19.22320980      8.69274404    -16.21108310
  H     14.56839357      7.22780484    -13.89768183
  H     12.51091398     10.19944918    -12.93233233
  O     11.58681939      7.81206279    -15.42551983
  H     17.35033757      7.94259871    -11.58792153
  H     12.89418974     11.50500317    -13.68636868
  O     16.16035235     10.42374582    -12.91718559
  H     17.60373697      9.15997506    -10.66325945
  H     15.76109001      8.09191091     -9.20714994
  O     14.94550376      6.20394736    -17.42169633
  H     20.07807228      8.77670743    -16.62553959
  H     15.65626941      6.86044422    -10.13306222
  O     12.77566105      8.37877920     -9.88718983
  H     19.39011221      8.55586940    -15.26184678
  H     12.20716773      8.33349494    -11.71247999
  O     17.14305210      6.85918200    -15.81006135
  H     11.95443375      6.92633613    -15.53563944
  H     12.87357174      7.63975960    -12.89959152
  O     13.01323873      5.33601231    -15.72315056
  H     11.58954544      7.99169847    -14.47619874
  H     19.30832865      7.07285794    -13.57824654
  O     18.22883873      5.44101253    -13.72323267
  H     15.47868242     10.53544154    -12.24444385
  H     19.13317609      8.39992786    -12.83496886
  O     16.95562949     10.10939396    -17.31129096
  H     16.86751607      9.91258258    -12.50228715
  H     17.06407503      5.92492358    -12.32691072
  O     15.24947450      8.57165111    -14.74814490
  H     14.88727943      7.02987630    -17.91740501
  H     15.57984985      6.34850861    -12.29489392
  O     12.75070075     11.12748103    -12.81146166
  H     15.78048188      6.26268758    -16.93854068
  H     16.77939664     10.48896062     -8.57439613
  O     15.22333191      7.31391384     -9.39754636
  H     13.59381066      7.88769958     -9.69405391
  H     15.79879624     10.26486770     -9.74792379
  O     12.20141499      8.29922160    -12.67646671
  H     12.21385783      8.28838935     -9.12185145
  H     14.98684118      9.04726567    -19.50229573
  O     19.57495703      7.99983944    -13.59532848
  H     17.88547570      7.39707300    -16.11278362
  H     15.71147070      9.26797392    -18.15265233
  O     16.40326814      6.37307473    -11.78496389
  H     16.49142640      7.48415829    -15.45452591
  H     13.76103336     11.01487446    -11.38840484
  O     16.55496924      9.87939889     -9.27269900
  H     13.68043929      5.61772026    -16.37456121
  H     13.80166184      9.88577881    -10.35666099
  O     14.96539671      8.80650444    -18.58027205
  H     12.66830746      4.50083058    -16.02673771
  H     15.16729941     12.11837106    -15.38669173
  O     14.31994955     10.62736332    -10.69561053
  H     17.79705728      5.85628784    -14.48992233
  H     16.23645287     11.51434935    -14.46640860
  O     16.10118981     11.87934316    -15.35022356
  H     18.52850316      4.58121677    -14.00708992
  H     13.73240989      9.33365790    -17.30614039
  O     13.29946134      9.63614535    -16.49892947
  H     17.76030521      9.71537756    -16.95970168
  H     12.62879639      8.99103950    -16.22622562
          69
 Energy    -248.45224395416355     
  O     17.03306124      9.15013095    -15.67777449
  H     17.14525321     10.06018484    -15.97844855
  H     14.60277699     12.45161818    -10.68449372
  O     17.41718392     11.90516488    -16.09081055
  H     16.15857735      8.83842148    -15.95275347
  H     15.25519991      4.21861092    -13.92238585
  O     12.59915160     10.08272340    -11.44987712
  H     17.74677990     12.42108303    -16.82156564
  H     16.01632426      3.11764264    -13.14484959
  O     14.52223529      8.15235617    -16.18868829
  H     18.10100138     11.92599006    -15.39639666
  H     15.03535073      8.47361089    -10.73441788
  O     18.63910895      7.45098707    -14.25311949
  H     13.22888257      9.35421689    -11.39538734
  H     15.13033853      8.78815194    -12.24068984
  O     20.04371580      9.35603671    -12.89238566
  H     13.00888853     10.80438672    -10.95852343
  H     18.04712384      5.89552433    -15.28668444
  O     16.92890863      6.46633974    -12.37467331
  H     14.12019876      7.87448260    -15.35331621
  H     17.15448064      4.69219351    -14.93042544
  O     11.40187939      9.48577211    -13.78813020
  H     14.73396080      7.34180533    -16.66966821
  H     18.17476054     12.03563161    -11.34349784
  O     15.45928826     13.27511358    -11.94036841
  H     18.04811894      7.11904301    -13.55580779
  H     18.78515761     13.39052727    -10.91092704
  O     13.21332177     10.63794706    -15.67502742
  H     18.11768884      8.02143543    -14.83845456
  H     15.39322611      5.25115702    -18.04560820
  O     15.08117081     12.25011638    -14.49506615
  H     20.93943832      9.07358513    -12.72624952
  H     16.13566556      5.51660524    -16.71428794
  O     14.14675389     11.94605388     -9.98838664
  H     19.61568718      8.63734898    -13.38845770
  H     16.43047311      9.57982301    -13.99574879
  O     16.09794777      4.00456184    -13.48410501
  H     16.61261533      5.59259050    -12.63903235
  H     15.59904014     10.77642777    -13.49981004
  O     14.73804366      8.16581463    -11.60429394
  H     16.17402468      6.93375127    -12.00310377
  H     18.94570114     12.36236982    -13.28876269
  O     17.50986124      5.19530676    -15.67462705
  H     10.45215145      9.54256280    -13.72831294
  H     19.55640924     11.02155850    -13.74086243
  O     18.28368533     12.96689926    -11.60330661
  H     11.75820455      9.79376887    -12.93488170
  H     17.23514273     10.18921421    -11.89980756
  O     15.29994964      5.66552524    -17.19224282
  H     15.25393770     13.05682225    -12.86012337
  H     18.71490549      9.86454591    -11.61715792
  O     16.01815167      9.95704750    -13.20879490
  H     16.42060533     13.29734879    -11.87137871
  H     13.71168453      7.47797261    -13.00915502
  O     19.21069484     11.86027266    -14.06934230
  H     12.51868982     10.32262915    -15.08362199
  H     12.49821317      7.96466361    -13.84397639
  O     17.93202740     10.27384563    -11.22959309
  H     13.63067489      9.84476833    -16.03340295
  H     15.22460660     10.41178351     -9.56481589
  O     13.22419461      7.32753163    -13.82938177
  H     15.83378704     12.25195599    -15.09894845
  H     16.60157198      9.80620332     -9.90347796
  O     15.74422897      9.59900034     -9.50973863
  H     14.35921734     11.77839875    -14.93891001
  H     14.22522703      5.01228552    -15.71611044
  O     13.88352505      4.78512493    -14.84260907
  H     13.82858895     12.58164849     -9.35267492
  H     13.52724493      5.60390501    -14.47165229
          69
 Energy    -248.45218473320256     
  O     15.81931142     10.78203057    -16.05542074
  H     16.19768543     10.61377354    -15.18419001
  H     14.01816764      5.00364305    -16.29629439
  O     13.07958121      5.99447485    -15.24296879
  H     16.53174382     10.53976197    -16.66392124
  H     19.09977279      6.37024200    -17.35771151
  O     18.53522090      7.45560969    -12.40552756
  H     13.44063335      6.15473157    -14.36055360
  H     18.60681117      5.48531130    -16.19252585
  O     18.31662458      7.08516775    -18.95716559
  H     12.58389538      6.78832594    -15.47426064
  H     18.15654639      8.72082266    -17.98067607
  O     15.69189693      6.47569858    -18.61856876
  H     19.27972230      7.32812538    -13.00887947
  H     17.47679095      8.66210960    -16.61659013
  O     15.25233230      8.37227840     -9.80468021
  H     18.05655979      8.22952893    -12.72770542
  H     15.61322353      7.75907438    -15.98634240
  O     14.26965531      6.57830093    -12.78482782
  H     18.57814884      6.90424634    -19.85573224
  H     16.64517449      6.68552486    -15.52071704
  O     17.16106128      9.55668545    -13.72967401
  H     17.38031075      6.82597399    -18.88136147
  H     14.04499749     10.73555043    -15.02132577
  O     17.02859432      4.87255663    -15.50833302
  H     15.20783834      7.25016050    -18.29988151
  H     13.74057117     10.05697573    -13.66540230
  O     13.74763887      5.94867145    -10.14238513
  H     15.33480234      5.72624235    -18.12853967
  H     15.44518793      5.05171367     -9.99510285
  O     19.53612718      9.89986542    -15.00729116
  H     16.15337980      8.04584541     -9.69341200
  H     16.90455841      5.51600874     -9.83901303
  O     14.60985290      4.47339453    -16.86074526
  H     14.68449172      7.59393001     -9.74401062
  H     12.36489808      9.18979490    -15.34139041
  O     19.34990507      6.02832641    -16.49203124
  H     15.13469972      6.15058966    -12.85530549
  H     11.08208590      8.82705414    -16.12800402
  O     17.91309815      9.27289201    -17.22922443
  H     14.42105944      7.53046642    -12.70848949
  H     21.41350898      6.99094029    -14.34748405
  O     16.40838241      7.61758517    -15.45749028
  H     18.02287713      9.83828167    -14.07425394
  H     20.11037880      6.81517657    -15.16042330
  O     13.33566795     10.35785442    -14.49157535
  H     16.85229311      8.82882193    -14.29896740
  H     17.41026060      6.00580055    -12.71448770
  O     16.35996873      4.77457256    -10.13303976
  H     16.90258196      4.82414687    -14.54955731
  H     16.64139865      4.92767685    -11.91028262
  O     11.95519713      8.51283470    -15.91004755
  H     16.21320014      4.58999449    -15.94135635
  H     18.60478167      7.40856373     -9.14307337
  O     20.50004910      7.26177374    -14.38680448
  H     12.85058801      5.67653166     -9.96721951
  H     18.20092097      7.29581806    -10.62901125
  O     16.76262251      5.29367439    -12.79843173
  H     13.80725007      6.12013661    -11.09730603
  H     15.65415746      9.50778557    -12.71369002
  O     17.87648082      7.19120505     -9.72026189
  H     19.15194528      9.78703049    -15.88798899
  H     14.91111266      9.11764485    -11.40143196
  O     14.78446411      9.30433297    -12.34355849
  H     20.00044826      9.07529857    -14.81737684
  H     14.80200797      9.40542043    -16.94450627
  O     14.43236733      8.56656508    -17.24748405
  H     14.12626543      3.68894373    -17.10511456
  H     13.52906915      8.52112896    -16.91058720
          69
 Energy    -248.45213361107332     
  O     -3.79572852     -1.37439712      1.21385142
  H     -4.16502567     -0.52200950      0.93183096
  H     -2.05847231     -2.51503439      3.72978517
  O     -1.20908098      2.84119941      1.92647546
  H     -3.48080653     -1.79310226      0.40331793
  H      2.20950968     -1.96670383      2.73452377
  O     -0.64422710     -1.29701550      4.36071126
  H     -2.00736174      3.28089626      1.61149890
  H      2.35649259     -0.54738562      3.32321957
  O      2.23308517     -3.17927738     -1.25481352
  H     -1.44404093      1.91238824      2.07551406
  H     -0.11514822     -2.43811914      0.23429999
  O     -2.17075485      0.46099948     -1.75859609
  H      0.08948385     -0.76940972      4.69848251
  H     -0.55772173     -3.91210963      0.48729574
  O     -4.22593287      1.08775633      0.14394333
  H     -1.06858955     -0.72994020      3.69889708
  H     -0.94479732     -0.18558964      1.74136222
  O     -1.95936639      3.33120540     -1.64108714
  H      1.31098607     -3.28167276     -0.97533880
  H     -2.47933836     -0.26447089      1.91985978
  O      0.53314839      3.08275678     -0.24410386
  H      2.72888526     -3.81794033     -0.74612492
  H     -1.86846892     -2.70461214     -0.98280952
  O      3.06103881     -0.64856323     -1.89935495
  H     -1.20337265      0.48191280     -1.72882211
  H     -3.11106681     -2.93814534     -1.87300791
  O      0.59662196      0.63575010     -1.48273430
  H     -2.40867423     -0.47282962     -1.71610753
  H     -1.19929930     -5.76928744      2.21273914
  O      0.37366758     -0.85390729      0.82467629
  H     -3.53828004      0.93220984     -0.51805837
  H     -1.59580374     -4.28623533      2.40776384
  O     -2.58528331     -3.08678245      3.15847817
  H     -4.12625438      2.00899712      0.40510780
  H      1.85302704      2.83296456      2.64673429
  O      2.56238894     -1.08321765      2.54576211
  H     -2.10640395      2.40185067     -1.85934412
  H      0.34171092      2.79687628      2.96133995
  O     -0.35766681     -3.26942525     -0.20617266
  H     -1.04389559      3.39083679     -1.33927865
  H      0.52621712     -3.93356506      2.81790547
  O     -1.68543995      0.16270583      2.26238939
  H     -0.07858134      2.99070615      0.50224298
  H      0.47183119     -2.65774442      3.66861171
  O     -2.70569954     -2.31139266     -1.27835058
  H      1.40610399      3.22783531      0.14070049
  H      1.45673997      1.21103407      4.30820380
  O     -0.95815037     -4.88005121      1.96944825
  H      2.77925610     -1.55718326     -1.69681186
  H      2.07970722      0.61498998      5.59258077
  O      1.21378442      2.61272527      3.33442712
  H      3.62205877     -0.70061403     -2.66915028
  H      3.58570629      0.13354982     -0.23407295
  O      1.08402466     -3.26901365      3.23359454
  H      0.68671299      1.52641690     -1.11105935
  H      3.45440507     -0.06756657      1.29753113
  O      1.63492085      0.37885696      4.78293470
  H      1.46427991      0.31979409     -1.75988402
  H     -2.98983879      3.74980512     -0.26898410
  O      3.72515622      0.56401723      0.61661765
  H      1.16898922     -0.86347904      1.37175357
  H     -3.99638075      4.63254380      0.50689978
  O     -3.46979101      3.84082209      0.57393126
  H      0.52226110     -0.29624700      0.05000785
  H      3.75052384      3.66916356      1.14166487
  O      2.97914738      3.10917160      1.12922837
  H     -3.11136524     -2.51044228      2.58862432
  H      3.28940415      2.20495925      0.94125457
          69
 Energy    -248.45212890026141     
  O     12.83679485     10.61438718    -13.86276954
  H     13.02902035     11.55769644    -13.80010286
  H     14.76423934      7.03565731    -16.91980757
  O     15.89864150      7.03893395    -14.00493755
  H     13.69136511     10.21158981    -14.07301514
  H     21.08798112      7.84813326    -14.13228523
  O     17.70050371      9.89097028    -10.87502584
  H     15.11885808      6.94197890    -13.44112860
  H     19.85643823      8.50590087    -14.79858678
  O     17.87753749     11.38219440    -14.85963768
  H     16.67411498      7.11084060    -13.43066357
  H     15.33618588     11.99725740    -16.46691779
  O     13.16775039      8.06764033    -17.16445337
  H     17.43189089      9.55826091    -10.00973990
  H     16.50972258     12.46391807    -15.58972973
  O     14.11698767      8.22304121     -8.93934396
  H     16.99098194     10.46411365    -11.19773421
  H     15.69365215      8.77945575    -14.31033079
  O     13.63699223      7.08028417    -12.39562649
  H     18.50092913     11.33874083    -14.11867820
  H     15.39531246      9.89916108    -15.36221688
  O     15.61306266     11.24262870    -12.09133298
  H     17.16971343     10.76012267    -14.65044544
  H     17.02599171      6.99380995     -9.46648176
  O     17.16187964      8.51624738    -18.09383547
  H     12.77155854      8.00250500    -16.27761842
  H     17.41607151      6.52743020    -10.88051863
  O     14.32892113      5.60858838    -10.13003777
  H     12.48255981      7.83549917    -17.78579553
  H     12.56412322      7.54218909    -13.91474368
  O     19.13421576      9.24557421    -16.19141293
  H     14.04735905      7.31007052     -9.24497618
  H     12.13986299      8.94632091    -14.39658438
  O     15.66043167      6.70867903    -16.77245632
  H     13.74190217      8.77067905     -9.64119145
  H     19.95612725      9.95154771    -13.10695841
  O     20.22049111      8.19812020    -13.94880456
  H     13.60732484      7.95549079    -11.98554278
  H     19.07178875     10.55963642    -12.00322299
  O     15.61543089     12.70335937    -15.87177723
  H     13.77598957      6.45258100    -11.67488742
  H     18.83308890      7.64248721    -12.87876367
  O     15.54094972      9.72735334    -14.42097674
  H     15.65912631     10.67034739    -12.87279485
  H     17.91192264      8.35852885    -11.85694440
  O     16.96228209      6.24737090    -10.07496438
  H     15.19128128     12.04987685    -12.40791483
  H     15.80208963      8.56286425     -8.60900679
  O     12.16411540      8.01513314    -14.65507449
  H     16.68993509      7.78966878    -17.64667437
  H     16.94793161      8.81673644     -7.60021145
  O     19.59204228     10.78512890    -12.78529480
  H     17.36896012      8.21358001    -18.97398775
  H     14.33622771      9.54601924    -17.21183837
  O     18.03963873      7.52926135    -12.33990071
  H     14.17967475      4.73501990     -9.77929963
  H     15.83526570      9.73157198    -17.54220587
  O     16.76664627      8.66535288     -8.52402728
  H     15.29280196      5.75296561    -10.13061519
  H     12.91913855      9.98790095    -12.01470798
  O     15.07884895     10.15747988    -17.11606643
  H     18.78847909     10.08905671    -15.87006067
  H     14.26047620     10.19653961    -11.33771135
  O     13.45229162      9.66886775    -11.27674615
  H     18.52801658      8.95639711    -16.88230806
  H     14.64481116     13.04844521    -14.45202974
  O     14.12853060     13.14462968    -13.63138748
  H     15.78764010      6.69077454    -15.81383108
  H     13.88943959     14.06519163    -13.56696716
          69
 Energy    -248.45199826622172     
  O     -7.04305266     -2.82723182      6.24451455
  H     -6.21035279     -2.38152831      6.43705251
  H     -7.57477700     -0.59411108      4.54530484
  O     -9.73277765     -2.47319558      2.49606522
  H     -7.74092970     -2.15811844      6.28948359
  H     -4.13837872     -1.37816583      5.79674903
  O     -7.68651321     -3.98627638      3.88982735
  H    -10.09466749     -1.75015939      3.01900830
  H     -3.84691635     -1.79874197      7.25702298
  O     -5.53968888      0.70201720      0.57069564
  H     -9.11159952     -2.95245722      3.05724649
  H     -2.94413652      4.12159175      2.05768610
  O     -5.84007559      0.96059564      6.18439046
  H     -7.45236344     -3.64924790      4.77312359
  H     -1.56306512      3.82871017      1.42219278
  O     -6.33794999      5.17810297      1.11795750
  H     -7.86191229     -4.91860596      3.98849742
  H     -9.22171822      2.44578386      5.63177516
  O     -8.91013655     -0.78848431      5.86007767
  H     -6.41154486      0.88427896      0.94623271
  H     -9.01826274      3.06338132      4.22963948
  O     -3.61220090     -1.21424518      4.15408385
  H     -5.56725890     -0.20542297      0.24504519
  H    -10.22979684      1.05986924      4.07532464
  O     -4.77765871      3.32765213     -0.13290233
  H     -5.31817602      0.24116974      6.55927453
  H     -9.68693660      0.35963398      2.84501821
  O     -5.99494532     -2.01531679     -0.04943137
  H     -6.14817093      0.62316353      5.32714424
  H     -5.73183360     -2.39591381      1.75113071
  O     -3.70047227      1.18785734      2.61836180
  H     -5.82720997      4.52749412      0.60350674
  H     -6.31058099     -3.10958211      3.01437568
  O     -6.89044730     -0.27587432      3.94149482
  H     -6.62196288      5.85126715      0.50538958
  H     -9.02101779     -1.80430807      0.97621862
  O     -4.52492052     -1.44174272      6.68985498
  H     -8.80970341     -0.00654179      6.41807140
  H     -8.49676855     -0.39558502      0.64701823
  O     -2.44044691      3.47327883      1.53316623
  H     -9.50948853     -0.53412110      5.14417025
  H     -7.37807921      1.49070979      6.90821194
  O     -9.66719377      2.62598470      4.79574096
  H     -3.52500331     -0.37936957      3.67709008
  H     -8.29677621      1.99742669      8.04667769
  O    -10.22934152      0.19966125      3.62450567
  H     -4.18517238     -1.77180170      3.60984705
  H     -4.45630589      4.44272016      3.58608329
  O     -5.65303359     -2.46994644      2.71037314
  H     -5.04763994      2.40374789     -0.05228421
  H     -4.85784213      5.30830480      2.38067287
  O     -8.55082634     -1.29361559      0.29981252
  H     -3.90577088      3.38077683      0.27763161
  H     -4.67989708      2.26684888      3.71908467
  O     -8.30295151      1.65988962      7.15462565
  H     -5.85072243     -2.52930540     -0.83872503
  H     -5.30485757      2.39019368      5.12324882
  O     -4.11215218      5.08779177      2.95215439
  H     -6.95076369     -1.82315698     -0.00277626
  H     -8.00469643      1.97160807      2.12461308
  O     -5.17520457      2.86718693      4.29568182
  H     -4.31722807      0.95694109      1.90904594
  H     -7.63262164      0.54751683      2.58719494
  O     -8.02587150      1.04521414      1.85025362
  H     -3.11587183      1.86911631      2.26220432
  H     -7.30962158      4.17483418      2.36769537
  O     -7.58836062      3.51852194      3.01828482
  H     -6.42963742     -1.03800647      3.56732656
  H     -6.78938587      3.27858623      3.50962517
          69
 Ord_Energy   -248.451859    
 O    2.77897716       10.6643858      -9.07644653    
 H    1.91884887       10.7615156      -8.64427280    
 H    3.29958105       11.4306326      -8.80298519    
 O    1.80616605       6.38867044      -10.6769667    
 H    1.04967797       5.83981180      -10.4369564    
 H    2.12584448       6.85101604      -9.88547993    
 O   -1.69248295       7.19414282      -8.66342545    
 H   -1.02443016       7.54130936      -8.06025124    
 H   -1.30156660       6.44754839      -9.13253498    
 O    2.48621845       9.28241444      -13.3634720    
 H    1.91816890       9.31177330      -14.1508484    
 H    2.82984900       8.38558769      -13.3022318    
 O   -1.10430229       10.4960690      -10.0699635    
 H   -1.97072279       10.0777330      -10.0028439    
 H  -0.518938601       9.85850811      -10.5091534    
 O    2.46793175       11.4872217      -11.7508230    
 H    2.57281327       11.1138477      -10.8646955    
 H    2.62439466       10.7749281      -12.3852530    
 O  -0.611253858       5.06954527      -10.2317553    
 H  -0.837445796       4.15973806      -10.0580654    
 H  -0.919244230       5.26936960      -11.1352882    
 O   -1.26918006       10.6189556      -14.0525703    
 H   -1.76888967       9.95484829      -13.5609379    
 H  -0.979207098       11.2795944      -13.4140196    
 O   -1.36377132       5.74820042      -12.7315903    
 H  -0.709665656       5.81962776      -13.4375277    
 H   -1.83458090       6.59264040      -12.7312098    
 O    3.88321209       13.1899776      -8.46143150    
 H    4.68516779       13.5846453      -8.13096142    
 H    3.72926545       13.5635672      -9.34823227    
 O   0.393995941       14.6554184      -10.5269976    
 H   0.107129298       13.8957062      -11.0602760    
 H  -0.143794835       15.3957109      -10.7967749    
 O   -3.36449838       8.85676289      -9.96165276    
 H   -2.81951666       8.22134018      -9.46064854    
 H   -4.23715115       8.84003448      -9.57997417    
 O   0.636825204       6.19891882      -14.6937008    
 H   0.826974750       5.70132685      -15.4866991    
 H    1.47153175       6.26793385      -14.2055788    
 O    2.50777721       7.90111685      -8.55923557    
 H    1.78707731       7.97820473      -7.92227936    
 H    2.76886606       8.80698776      -8.77194595    
 O    2.96083283       6.46422672      -13.1225176    
 H    3.81499982       6.04039192      -13.1066313    
 H    2.59227467       6.38868523      -12.2240362    
 O  -0.187325150       12.3368378      -11.9134645    
 H  -0.621149361       11.7810211      -11.2499104    
 H   0.737182081       12.0477133      -11.9480505    
 O   0.653369427       9.09058380      -15.3389988    
 H   0.402917534       8.17170429      -15.2016096    
 H   -7.02094510E-02   9.64017200      -14.9994793    
 O   -2.20280981       8.39933872      -12.5048132    
 H   -2.74187469       8.54673481      -11.7179184    
 H   -1.27816045       8.46145153      -12.2165375    
 O   0.286199659       10.9810438      -7.78000784    
 H   0.480026156       11.9261160      -7.69764614    
 H  -0.280756384       10.8708448      -8.55844975    
 O   0.404071212       8.69860649      -11.5170193    
 H    1.02969015       9.02562332      -12.1749334    
 H   0.802693784       7.90597200      -11.1403799    
 O    1.07307506       13.5922432      -7.93012524    
 H   0.785364628       14.0077276      -8.75261402    
 H    2.03595281       13.5486383      -7.97993040    
 O    3.17528152       14.0606470      -10.9288368    
 H    3.04773998       13.2108660      -11.3754234    
 H    2.29131222       14.4384985      -10.8444881    
 O   0.227291346       8.39657974      -6.91217184    
 H   0.228053182       9.34578991      -7.12649393    
 H   0.193890154       8.33222008      -5.96073389    
          69
 Energy    -248.45174370440336     
  O     17.72677983      9.75938504    -11.05400938
  H     17.14926263      9.34531518    -10.39439503
  H     13.20080304      9.87053930     -9.38835639
  O     13.84908249      4.97387577     -8.20046571
  H     17.77107491     10.69994017    -10.83877132
  H     11.30196490      9.10233429     -7.89063427
  O     17.70660049     12.30204746    -10.05806958
  H     13.91497014      4.03101392     -8.07538440
  H     12.03866779      8.08443765     -8.79716300
  O     12.02096719      6.62267094     -9.66237447
  H     14.58162701      5.23300768     -8.78608325
  H     18.63911458      5.42024856    -12.81130601
  O     16.58255516      8.43841202    -13.15397060
  H     18.30082634     12.12978363     -9.31472840
  H     18.48809321      4.78939699    -11.41415915
  O     19.68524232      7.87871607    -10.90029645
  H     16.82966593     12.41979241     -9.67495056
  H     15.68255646      5.82934212    -10.79488894
  O     20.01567897      8.91188285     -8.26467350
  H     12.53009174      5.94642953     -9.20144139
  H     15.80958805      6.88390645     -9.65729186
  O     18.55582292      5.67937691     -9.55608301
  H     12.33510947      6.63198063    -10.57869963
  H     18.18893443      7.60416401    -13.57785751
  O     13.08439295      6.78652561    -12.21068351
  H     15.68769694      8.79812681    -13.17423340
  H     19.40919995      7.28921706    -14.46625704
  O     15.13695877     12.34573889     -8.67682935
  H     17.03359448      8.94658930    -12.46111492
  H     17.60671340     11.34872011     -7.04126473
  O     13.98062809      9.49367216    -12.65815233
  H     19.05410859      8.61682710    -10.91399414
  H     16.59895218     10.27711347     -6.57641256
  O     13.85298188     10.25655389     -9.99065156
  H     19.74030732      7.58746790    -11.81637953
  H     16.16254892      8.63991377     -8.36904038
  O     12.15239485      8.89905596     -8.27083246
  H     19.62064495      8.20692639     -7.73914746
  H     15.20357443      9.14027032     -9.50678100
  O     18.23559499      4.68125268    -12.33751745
  H     20.10837162      8.55781389     -9.15764614
  H     20.06583877     11.94728825     -7.46310071
  O     15.80253986      5.93234670     -9.84151590
  H     17.59299755      5.72029341     -9.65819162
  H     19.57504425     10.58368877     -7.99527931
  O     19.04153139      7.14111320    -13.59798766
  H     18.93371616      6.43823564    -10.02456611
  H     13.37773428      7.92668335     -7.08598296
  O     16.68488743     11.21713160     -6.78571807
  H     13.87344705      6.27896672    -12.43799196
  H     13.91105035      6.48324720     -7.04627232
  O     15.98291297      8.60269136     -9.31786876
  H     13.29909086      7.70269628    -12.42097344
  H     16.00236740      6.68866846    -12.82070948
  O     19.30643153     11.50482563     -7.83336225
  H     14.80571428     13.17689400     -8.34659841
  H     16.50426271      5.24092155    -12.60627929
  O     13.99749651      7.34834654     -6.62654608
  H     15.64210938     11.93783598     -7.94902936
  H     19.13102147      6.09209783     -6.38687689
  O     15.70937622      5.79326832    -12.60238799
  H     13.46408477     10.10839447    -13.17466215
  H     18.65868763      6.23417926     -7.85009769
  O     18.68880546      6.68499369     -6.98995111
  H     13.93464587      9.80152308    -11.73809751
  H     15.63476128      8.00703344     -6.47641118
  O     16.48836306      8.45289635     -6.59817268
  H     14.23420158     11.03857873     -9.56720723
  H     17.18983252      7.79187476     -6.61368277
          69
 Energy    -248.45170466047466     
  O     19.14274349     11.04696835     -8.61327108
  H     19.64151872     10.23431555     -8.43781368
  H     16.35794116      9.99506919     -9.54340306
  O     18.00887330      5.77227040     -9.98463032
  H     19.71938701     11.76585084     -8.36604182
  H     20.94397532      7.80995004     -8.22598471
  O     17.07407352      4.94107077    -13.21103279
  H     17.22533965      5.25250823    -10.19901902
  H     20.44906417      8.61907288     -9.42477848
  O     16.23642122      7.53784911    -13.77462804
  H     17.91977079      6.59791879    -10.48776849
  H     14.67204255      9.70438501    -12.76411636
  O     20.01023136      7.99645569    -14.01522123
  H     16.71846051      5.78987808    -13.51061995
  H     13.22503776      9.32041851    -13.16268740
  O     15.57763740      4.70808997    -10.76953437
  H     16.54575421      4.69031124    -12.44456776
  H     20.02066006      4.50713853    -14.19666580
  O     17.90459345      9.59712805    -14.66190788
  H     16.74693865      8.21320603    -14.24170474
  H     18.80227013      5.03539322    -13.40907891
  O     21.77017203      6.15627698     -8.39040332
  H     15.38572090      7.93309038    -13.54738061
  H     13.32725258      5.21655119     -8.42810353
  O     15.90254008      5.75691297     -6.53144727
  H     19.91812864      7.03657985    -13.97861003
  H     13.19669621      6.44833958     -9.33896549
  O     20.46974582      8.25198402    -11.24234819
  H     20.37790908      8.24283258    -13.15698226
  H     14.97585946      8.51175024     -7.82602035
  O     17.72216466      8.10385484    -11.39483768
  H     15.14391107      5.57425544    -10.79859189
  H     16.44865807      8.24687492     -8.23306804
  O     16.93026166     10.46942268    -10.16293896
  H     15.27494532      4.28630846     -9.95547418
  H     14.17112751      7.82642667    -11.31305418
  O     20.40041916      8.57513826     -8.45842136
  H     18.69238412      9.06616743    -14.44851800
  H     14.85760226      7.73939887     -9.92038412
  O     14.02660392      8.97428899    -12.78008611
  H     18.08687715     10.02671121    -15.49377286
  H     18.75776072      7.81794902     -7.81344330
  O     19.75854438      5.15731254    -13.54961860
  H     21.48191636      5.79920893     -9.24440940
  H     17.97400756      6.66489540     -8.45724282
  O     12.83708593      6.04078287     -8.53875944
  H     22.13294241      5.41796519     -7.90724705
  H     13.33701291      7.13116700     -7.25597955
  O     15.62697184      8.67264427     -8.51937975
  H     16.69471146      6.24823224     -6.78371183
  H     13.12775835      8.02378856     -6.00729260
  O     14.36955316      7.22963248    -10.58257812
  H     15.21727929      6.42120476     -6.38697188
  H     16.36470417     10.85894814    -11.86967088
  O     17.93881098      7.31601227     -7.73888381
  H     19.50690840      8.27774254    -11.36337620
  H     16.74470739     10.53148503    -13.34167729
  O     13.79009923      7.70945185     -6.61603857
  H     20.68843439      7.31709392    -11.12362432
  H     19.71009726      5.44484819    -10.46579514
  O     16.01731562     10.80648439    -12.77188777
  H     17.20116479      7.92714322    -12.18589728
  H     20.47524781      5.24399381    -11.78435152
  O     20.60184440      5.44450004    -10.84906951
  H     17.41726066      8.93322598    -11.00415756
  H     14.67337561      3.08422061     -7.73854426
  O     14.74661666      3.92119496     -8.18944539
  H     17.69865236     10.77099488     -9.65771627
  H     15.21783816      4.52293469     -7.58589872
          69
 Energy    -248.45169257754293     
  O     19.40215704     10.38932986     -7.55250415
  H     19.67161652     11.09149864     -6.96577344
  H     17.85279093     10.32432736     -8.58777318
  O     18.15852860      5.60587944     -9.56679572
  H     20.01311989     10.40549250     -8.31074423
  H     20.65666848     10.80001219    -10.54554593
  O     17.90250433      5.29655934    -13.27057119
  H     17.49952767      5.13751022    -10.09416274
  H     21.23038182      9.45875613    -10.04555021
  O     18.04974259      7.99696460    -13.45014614
  H     18.21155638      6.49619876     -9.94941423
  H     16.14859990     10.09709465    -12.68848132
  O     16.05774237      4.80824588    -11.16296611
  H     18.78870262      5.14430250    -12.91414044
  H     15.02439869      9.81111741    -13.71533333
  O     20.63430108      8.99292633    -13.23795446
  H     17.27328593      4.96098743    -12.62079728
  H     21.28084602      5.20356982    -12.99918493
  O     20.66475962      5.92595841     -8.47110577
  H     17.18765443      8.41808283    -13.53611792
  H     20.80862576      6.01083162    -11.78811170
  O     14.40882081      5.13522775     -7.22781423
  H     17.93208783      7.03436573    -13.49792539
  H     12.97494562      5.24166788    -10.12101052
  O     21.06852299      7.59329930    -10.68902592
  H     15.39402159      4.30596155    -10.67555938
  H     13.34573769      6.59529043    -10.75124163
  O     18.39568839      8.09562992    -10.68911040
  H     15.70873047      5.70891916    -11.24543817
  H     14.38964734      8.19560283     -8.26491950
  O     19.24959718      7.69362633     -6.61150988
  H     21.00082215      8.45891728    -12.52612840
  H     15.85559256      7.72888678     -8.07588715
  O     17.19130286     10.21287391     -9.28156083
  H     19.76678356      8.61205003    -13.44604980
  H     15.15516934      8.07568916    -11.85751570
  O     20.97566537     10.34195392     -9.75718400
  H     19.80504754      5.66885464     -8.84754888
  H     15.15663244      7.77640914    -10.32660255
  O     15.62536279      9.38915201    -13.10733000
  H     21.07645647      5.12326685     -8.15994093
  H     20.26103087     10.60209973    -12.66257632
  O     20.58337076      5.25691642    -12.34715064
  H     13.79644590      5.87946235     -7.27120988
  H     20.45019810     12.13654021    -12.69693010
  O     12.64239417      6.13515255    -10.27243620
  H     15.28416688      5.52131427     -7.08823447
  H     17.61747486      6.92788268     -6.84648137
  O     15.29569438      8.35887375     -8.55357561
  H     21.16790696      7.05202345     -9.89463181
  H     17.25553329      6.05377942     -8.05551479
  O     14.98728202      7.39273516    -11.19797032
  H     20.13103944      7.85496465    -10.70503133
  H     11.89402509      7.71156687     -7.56136290
  O     20.02070462     11.43331253    -12.21610028
  H     18.19168176      8.11814624    -11.63381208
  H     12.59043564      6.97374511     -8.73142663
  O     16.87532088      6.47711935     -7.27286768
  H     18.00177099      8.86594813    -10.26465400
  H     17.11927180     11.00944470    -10.91202647
  O     12.74139921      7.40386681     -7.87029838
  H     19.85231622      7.17737830     -7.15871463
  H     18.12324353     11.33960659    -12.03397451
  O     17.18503986     11.20299992    -11.85835744
  H     19.33742742      8.61097757     -6.89816558
  H     14.19280690      4.16428610     -8.67056347
  O     14.03063900      3.72984909     -9.52722987
  H     16.46631865      9.67533943     -8.93218516
  H     13.70904162      2.85331465     -9.33458011
          69
 Energy    -248.45161709070678     
  O     16.24429498      9.95153320    -17.09414735
  H     15.42248595     10.39116524    -16.84805719
  H     17.59045656      7.09956838    -11.04469364
  O     15.63678172      5.46513832    -13.17055990
  H     16.52939086      9.44498356    -16.31640774
  H     19.79484610      9.73343329    -16.88501542
  O     18.80263048     13.08901518    -11.69482175
  H     16.29683395      5.63829404    -12.48727932
  H     21.11415726      9.09293687    -17.37909242
  O     19.85000018      8.48770504    -14.17550080
  H     16.11503570      5.42483189    -14.00781649
  H     18.00155539      8.64061924    -14.55994161
  O     14.79844579      6.57194896    -17.10550263
  H     19.03803840     12.15042899    -11.77902722
  H     16.51257336      8.78619606    -14.08157899
  O     16.17405004     10.67675602     -9.24834686
  H     19.54559939     13.51972636    -11.27960070
  H     13.60733655     10.02604293    -15.84823742
  O     15.42857370      9.19739992    -12.69019421
  H     20.13915150      8.57442293    -15.09199036
  H     13.05937771     11.33409171    -16.47036495
  O     17.89774044     12.28084012    -14.30619352
  H     19.79134956      7.54451022    -13.96102912
  H     17.04508666      9.42974897    -10.13913424
  O     19.27967974      5.88992643    -13.57692804
  H     15.49897521      6.15589550    -16.59110450
  H     18.04910278      9.40372609    -11.33389172
  O     13.55166312      7.15880916    -12.95083681
  H     15.24551904      6.96728231    -17.86361870
  H     13.80201763      7.72986058    -16.13076205
  O     17.15031336      5.91475576    -15.53017905
  H     16.05452823     11.40766426     -9.87849152
  H     13.31691711      7.94671454    -14.68048519
  O     17.63497643      6.15141097    -11.25167521
  H     15.69671299     10.92509418     -8.46185811
  H     19.49720363      9.75202364    -12.98710998
  O     20.30685991      8.90483151    -16.90730747
  H     14.72875882      8.53238402    -12.67705421
  H     18.54978723     10.94724308    -13.17934282
  O     17.07883821      8.58755137    -14.83855378
  H     16.02306138      9.03892109    -11.94648579
  H     15.64196650     12.48901208    -11.99782670
  O     13.82624996     10.95627814    -16.04898140
  H     16.94739591     12.13951434    -14.17821570
  H     16.93402242     12.94118327    -11.27988951
  O     17.45522867      8.85440341    -10.80314345
  H     18.18772008     12.88918595    -13.61816928
  H     19.21365013      7.40900750    -17.47320312
  O     13.35939340      8.36363757    -15.54711960
  H     18.62821987      5.69720295    -14.26224293
  H     17.92823866      7.10137859    -18.26784826
  O     19.01423332     10.43643380    -12.50089087
  H     18.79184046      5.90834372    -12.74395658
  H     14.70040073     11.62084293    -14.51507435
  O     16.02068395     12.66802797    -11.12850236
  H     14.24563563      6.48149041    -13.04773323
  H     15.26745015     10.85252080    -13.30633918
  O     18.60494324      6.69854277    -17.70870509
  H     12.83191506      6.75261501    -12.47623691
  H     18.59015803     11.61144784    -15.92358670
  O     15.24495572     11.72684025    -13.72628779
  H     17.70421900      5.97520057    -16.32350624
  H     17.88472303     10.82155347    -17.02764018
  O     18.75709649     11.12247113    -16.73933176
  H     17.03064706      6.83546571    -15.24561574
  H     16.24952680      8.33553732    -19.88228378
  O     16.41200119      8.00094079    -19.00430662
  H     17.81096904      5.70046547    -10.42913754
  H     16.33909714      8.75644119    -18.39586365
          69
 Energy    -248.45161453259760     
  O     15.56163176      6.39908622    -13.41796363
  H     16.06752545      6.27176644    -12.60626041
  H     18.45526264      5.21814453    -12.29590356
  O     18.98111634      8.51635422    -11.79916360
  H     16.17664561      6.82560340    -14.03704208
  H     18.73080256      9.33244446    -18.87340929
  O     18.66164952      5.00740378    -17.10858519
  H     19.69086381      8.06473974    -12.26985202
  H     17.62224114      8.83783751    -17.92015450
  O     15.87116822      5.35079731    -17.84671763
  H     18.63369444      9.16690252    -12.42909443
  H     18.10731259      7.44702206    -15.36394447
  O     15.28259668     11.13382813    -10.32557308
  H     18.55359064      4.35425036    -16.40437197
  H     16.73763009      7.90144859    -15.91800815
  O     13.87143979      8.59114427    -13.59911604
  H     17.78196849      5.13171886    -17.48217407
  H     15.21550166     11.44655936    -14.90813746
  O     17.92163251     10.04706375    -13.79438406
  H     15.44441141      4.77041154    -18.47131084
  H     14.68526869     10.74674331    -16.15945386
  O     18.12469722      3.28257482    -14.92322313
  H     15.67706717      4.99872402    -16.95839934
  H     14.97093867      7.67286519     -9.75096875
  O     13.85471729      8.67205958    -10.66581707
  H     15.21433445     11.86729280     -9.72072899
  H     15.27011018      6.86971916     -8.46263583
  O     19.77126520      7.29483274    -16.14780786
  H     16.07976406     10.63339688    -10.07465500
  H     13.66923689      8.84621618    -15.36884001
  O     15.53573639      4.36691495    -15.35958529
  H     14.41820114      7.79776697    -13.49626064
  H     12.75710385      9.10884871    -16.58445576
  O     19.06540152      4.85338848    -12.95071467
  H     14.42409116      9.36733654    -13.41722311
  H     21.70029194      7.10179323    -13.56354882
  O     18.53802738      9.15971917    -17.95441718
  H     17.63291286      9.22082202    -14.20994388
  H     20.47691815      7.21905927    -14.49585145
  O     17.21996682      7.72046727    -15.10128127
  H     18.11858992     10.64706803    -14.52828037
  H     16.79437336      6.48351802    -10.50610368
  O     15.26102233     11.46300250    -15.87407762
  H     18.39191851      2.38419058    -14.74939226
  H     17.87425132      7.08821723    -11.44290575
  O     15.67588179      7.22812692     -9.24717564
  H     18.47062928      3.82394870    -14.19066731
  H     16.89771324      8.71774208     -9.39336175
  O     13.67175602      9.04573658    -16.31990403
  H     14.19253707      9.56814408    -10.53686073
  H     18.04253610      9.23836970    -10.29122525
  O     20.74579341      7.09571529    -13.57033594
  H     13.66003734      8.59106184    -11.60553707
  H     16.31313687     10.63022146    -13.27443455
  O     17.34268366      6.29549296    -11.27759970
  H     19.49471689      6.45146682    -16.54379057
  H     15.32629319     11.10548508    -12.17470028
  O     17.36510093      9.51838002     -9.66335379
  H     19.52938197      7.99350916    -16.76779144
  H     17.08967767     11.50644772    -16.18016454
  O     15.38902963     10.86884588    -13.10711696
  H     16.36196874      3.90658215    -15.16237857
  H     18.27678384     10.74059672    -16.81101687
  O     18.05394414     11.40676910    -16.15243406
  H     15.39993284      4.98966564    -14.63359266
  H     15.14583868      8.43723437    -17.24209760
  O     15.99205749      8.10463918    -17.56975091
  H     19.70765981      5.54788534    -13.13598446
  H     15.89260788      7.15782803    -17.74709563
          69
 Energy    -248.45145467889739     
  O     16.44490601      3.53551392     -9.49674715
  H     16.02254657      4.08849119     -8.82893830
  H     17.31648134      8.30009338    -14.69767294
  O     17.02840735      9.28057052    -11.07897517
  H     15.72080236      3.13767773     -9.99842620
  H     12.81694956      6.49706370    -14.17629595
  O     13.04762746      7.33364790    -12.58932813
  H     17.27592155      8.93626010    -11.94532222
  H     12.87851452      6.43979203    -15.73717779
  O     13.22627277      7.42868744    -17.26197140
  H     16.74858938      8.51795035    -10.55222529
  H     14.71191021      4.62299070    -11.55357928
  O     14.77451872     10.79523535    -11.14182815
  H     12.91168292      7.80982475    -11.76126865
  H     15.67394764      5.48313423    -12.42780351
  O     15.80045571      7.14727551     -9.75779126
  H     13.68431571      6.63421883    -12.36647103
  H     17.69188768      4.16527713    -10.61343512
  O     11.78750474      3.72632058    -13.53262561
  H     13.70418207      8.22818622    -16.97606930
  H     19.17675622      4.49205682    -10.83560668
  O     15.78669677      6.12230130    -17.28463364
  H     12.65223301      7.68986475    -17.97671554
  H     13.62878471      9.41274353    -10.33296628
  O     15.02681916      5.32830448     -7.75863180
  H     15.62740528     10.32786732    -11.06863028
  H     14.19914250      8.06050430     -9.90660227
  O     14.73057421      9.49808722    -16.38649082
  H     14.93252555     11.69829021    -10.88095042
  H     12.28590312      5.35854010     -9.65711737
  O     17.32338524      8.25684724    -16.56226268
  H     15.57109128      6.54199349    -10.47878300
  H     12.64961202      6.82880897     -9.31391413
  O     17.08497869      8.24572974    -13.76127433
  H     15.72199114      6.62930647     -8.94877415
  H     14.57592480     10.04811959    -12.85465571
  O     12.86759594      5.90070023    -14.93693578
  H     12.01384544      4.48063607    -14.09278587
  H     13.98199195      8.70281922    -13.33058847
  O     14.91505140      5.52346976    -11.83064244
  H     12.46955153      3.06596204    -13.70362021
  H     10.84742720      3.56377940    -10.53647765
  O     18.32395348      4.51867298    -11.26114873
  H     15.67959089      5.38152577    -16.67599777
  H     11.63045109      3.97002491    -11.80267152
  O     13.36347045      8.52080629    -10.08080230
  H     14.90103619      6.48320151    -17.41645338
  H     17.19615610      6.43939455    -13.55747627
  O     12.65318312      5.92813194     -8.97017118
  H     14.14588180      5.48805874     -8.14212753
  H     17.63734978      5.14756466    -12.76688378
  O     14.53827742      9.44438887    -13.60625355
  H     14.91639739      5.32539665     -6.81172725
  H     13.33865984      3.12507403    -10.92021074
  O     11.65598078      3.97770225    -10.82965989
  H     14.61038248      9.61119053    -15.43296020
  H     14.25268130      2.51604893    -12.02354746
  O     17.09172112      5.47983911    -13.49662521
  H     15.65176400      9.23847416    -16.50835504
  H     14.59487244      2.85164771    -14.35377755
  O     14.24990965      2.88107072    -11.12884692
  H     16.84665568      7.45225718    -16.83390632
  H     14.35372697      1.32563932    -14.32277445
  O     14.16273776      2.13582514    -13.85730762
  H     18.03399864      8.37818073    -17.18619107
  H     15.92708092      4.70286615    -14.60571713
  O     15.20005382      4.33418916    -15.13081042
  H     16.20245620      8.63617329    -13.68746797
  H     14.42704341      4.90826530    -15.02043883
          69
 Energy    -248.45114067149814     
  O     14.84104696      3.42669664    -10.33281356
  H     14.66918640      2.48200696    -10.23027556
  H     16.72140795      7.60028856    -14.96128780
  O     12.85775312      4.33954244    -12.06929325
  H     14.14767751      3.77475088    -10.91198574
  H     13.95648344      9.13725812     -9.65883003
  O     17.00434912      3.33863517    -12.08549480
  H     12.23554342      4.93374758    -11.63125302
  H     13.74318049     10.56386956     -9.10025264
  O     18.37316637      7.31466367    -13.92599184
  H     13.23917942      4.83205188    -12.80578089
  H     15.83139416      8.01485111    -12.05244482
  O     11.99257822      7.68769021    -13.15525193
  H     16.27307608      3.36257127    -11.45017320
  H     14.78418525      7.26829952    -11.16773295
  O     12.71588518      1.58046882    -12.67172917
  H     17.49643447      4.15500532    -11.93969483
  H     12.78966408      7.03165786    -10.02799829
  O     14.41205077      0.65619612    -10.54092566
  H     18.30138709      6.75073467    -13.13816327
  H     14.12989205      6.77012911     -9.23628987
  O     17.12919509      9.40136401    -12.45866734
  H     19.19784400      7.08886799    -14.34921022
  H     13.79163021      1.28541233    -14.02565305
  O     17.00174956      9.30915660     -9.68504582
  H     12.43110724      8.52832685    -12.95176079
  H     14.12335214      0.63298674    -15.38889852
  O     14.14105670      6.00515499    -14.04284826
  H     12.62032666      7.16357814    -13.66517924
  H     10.36564517      6.42620563    -10.74457744
  O     15.43607546     10.43485377    -14.41998028
  H     12.63834866      2.52765305    -12.49527821
  H     11.45695430      6.88838235    -11.74740760
  O     15.87863393      7.90752392    -15.31647615
  H     13.13576617      1.19832271    -11.89115818
  H     16.92533398      6.24618598    -11.69883531
  O     14.24856553     10.06320885     -9.73608837
  H     14.43851888     -0.11934197     -9.98779046
  H     18.07396942      6.17465368    -10.68560734
  O     15.39879740      7.16475719    -11.90472811
  H     15.11900809      0.55541390    -11.20419549
  H     15.20720227      2.90764071    -14.69490917
  O     13.61841585      7.42727534     -9.73506138
  H     17.68801254      8.81001823    -12.97867543
  H     16.13331324      3.63431292    -13.70358594
  O     14.49678907      1.15603680    -14.68505274
  H     16.61409739      9.92080351    -13.08947600
  H     15.79152864      0.71099156    -13.33353291
  O     11.29780336      6.37149485    -10.93389284
  H     16.10427246      9.64257162     -9.56931738
  H     16.73584583      1.49697508    -12.40147356
  O     17.84258391      5.94536570    -11.59393242
  H     17.19653167      9.44223534    -10.62342614
  H     16.19780188      5.92424255     -8.69724866
  O     15.57630161      3.77278876    -14.48102959
  H     14.64528169      5.21628032    -14.30372989
  H     15.21861199      4.79708214     -9.13821713
  O     16.28979419      0.64552984    -12.50875890
  H     14.60001850      6.41870348    -13.29280288
  H     18.49814908      6.93503605     -8.22022843
  O     15.28740688      5.61519656     -8.62709167
  H     15.42601773     11.07103828    -15.12970834
  H     17.57690689      7.74642478     -9.16071903
  O     17.89145622      6.84825014     -8.95058667
  H     15.53858101      9.55615364    -14.82853038
  H     13.72350925     10.14268081    -11.61909800
  O     13.36679704      9.99200653    -12.50140659
  H     15.22715969      7.23780119    -15.07734646
  H     14.04998319     10.24747831    -13.13254433
          69
 Energy    -248.45110675134646     
  O     12.13708864     11.05390363    -14.84585767
  H     12.09949835     10.57961480    -15.68691996
  H     19.25989831      8.01421671    -15.35871925
  O     16.09346360      6.35426330    -13.24513600
  H     12.94824350     11.57375123    -14.86670619
  H     15.97549352      9.75237531    -15.34020851
  O     17.61758033     10.32921108    -11.71572139
  H     15.46819955      6.36825986    -12.50125089
  H     17.25574807     10.64715786    -15.35667233
  O     12.56168366      7.59871808    -14.96945538
  H     16.93859610      6.68388181    -12.91567822
  H     15.52151621      7.89723824    -13.94914152
  O     14.96019732      9.12742236     -8.63175462
  H     16.70242204     10.54070309    -11.94790007
  H     14.19413138      8.37392462    -14.58032938
  O     14.36179047      6.63230554    -11.17612517
  H     17.66292373     10.32526098    -10.75149891
  H     11.60077049      9.95712465    -13.58085283
  O     15.02124348     10.78029256    -12.55567705
  H     12.07523761      7.97575936    -14.22583254
  H     10.39575062      9.33964500    -12.83232578
  O     15.83040717      6.62582709    -17.64079406
  H     12.31617369      8.11037240    -15.75188132
  H     18.28138314      7.26734555    -10.47505079
  O     15.67058874      6.36969693     -8.67727219
  H     15.09248848      8.17580733     -8.52869775
  H     18.04647204      8.19870308     -9.26942431
  O     18.02670655      8.06640563    -16.59396143
  H     14.29410119      9.23097314     -9.32298542
  H     19.22799708      9.96560765    -14.40732608
  O     14.56821228      5.61833778    -15.47813534
  H     14.74749053      6.44094991    -10.31211754
  H     18.39728398     10.73263270    -13.36446959
  O     19.89067828      8.14523096    -14.62822159
  H     13.97735409      7.51461426    -11.10725432
  H     18.97749632      7.74523729    -13.05294988
  O     16.45245512     10.42599494    -15.85517719
  H     14.87157347     11.51736985    -13.15617929
  H     18.07218370      8.58804332    -12.12365398
  O     15.06310509      8.67675222    -14.29135503
  H     15.00434017      9.98403224    -13.11317373
  H     16.56901192      9.77642292     -8.80825141
  O     11.33340860      9.23991878    -12.97807962
  H     15.87117989      5.95141308    -18.31349658
  H     17.75472686     10.55042702     -8.18421788
  O     18.08954794      7.26967717     -9.52811199
  H     15.37844517      6.22963032    -16.87446182
  H     15.11261628      8.34459870    -17.83665910
  O     18.66196896     10.73871406    -14.29464661
  H     16.56860558      6.60153750     -8.97511018
  H     15.37282258      9.77896803    -17.32415117
  O     18.36373898      7.68392446    -12.31073385
  H     15.76171516      5.64807157     -8.06158221
  H     13.91834096      9.90901395    -11.39621325
  O     17.50133627     10.02761282     -8.93989235
  H     17.36040568      7.46606838    -16.94982382
  H     12.54777481      9.22976660    -11.52027715
  O     14.75275284      9.24204284    -17.83040555
  H     17.58301357      8.91626591    -16.50244861
  H     15.32446905     11.78725851    -15.31521191
  O     13.32278951      9.29060057    -10.94917150
  H     15.13838595      5.69755268    -14.69996121
  H     14.93226130     13.26975737    -15.14152041
  O     14.68697367     12.38233410    -14.89031572
  H     13.76920263      6.12111293    -15.27618147
  H     11.60053497      9.36727850    -17.90916363
  O     12.15186831      9.37315792    -17.13161219
  H     20.74919094      7.89353683    -14.95749543
  H     13.07558219      9.35118749    -17.44037589
          69
 Energy    -248.45107498695609     
  O     -7.18108369     -2.53691122      5.80667066
  H     -7.78179729     -1.86903278      6.16084146
  H     -6.35024427     -2.17738112     -1.06593396
  O    -10.09624615     -2.44261575      2.33128320
  H     -6.35243722     -2.08521077      5.61205796
  H     -4.54355434      0.95357209      2.03549241
  O     -8.06237496     -3.96553221      3.66153791
  H     -9.50288168     -3.05103413      2.78648052
  H     -3.27670507      1.56951806      2.69001091
  O     -5.38743843      0.90884107      0.38123635
  H    -10.33279133     -1.77293862      2.98616919
  H     -7.36110141     -0.49041501      2.81755436
  O     -6.70517487      1.00269511      5.60622236
  H     -7.79870332     -3.51881950      4.48564157
  H     -7.40537693      0.63720771      3.89226223
  O     -5.00476143      5.45935632      0.99461544
  H     -8.02120501     -4.90273610      3.83153709
  H     -1.05157858      2.92419880      2.37379818
  O    -10.37844867      1.35165235     -0.01067377
  H     -5.61233714      0.02982781      0.05579021
  H     -2.41605469      3.59508567      2.66860761
  O     -8.83697817     -0.35238843      6.64991825
  H     -6.23348409      1.36963429      0.48643493
  H     -9.86645476      4.78577570      4.14802782
  O     -5.02288814     -0.94790274      4.56909599
  H     -6.34058975      1.85092629      5.31893356
  H     -8.81322004      4.22793337      3.18251794
  O     -3.80247572      3.21996517      0.03041351
  H     -6.05279672      0.32168908      5.38289670
  H    -11.01132888      1.14963371      3.15860874
  O    -10.26027690     -0.28018353      4.14558231
  H     -4.60387771      4.67631487      0.57578682
  H    -10.65689010      2.63636291      2.91502167
  O     -6.47860008     -1.61610587     -0.30668130
  H     -4.92342424      6.17640890      0.37156347
  H     -6.98154116     -2.78930951      2.71197830
  O     -4.09507497      1.09437988      2.88121411
  H    -11.06111986      1.62959880     -0.61438885
  H     -6.37330117     -2.02298324      1.48800326
  O     -7.78679505      0.34368546      3.05635644
  H    -10.71023043      1.52920657      0.88927777
  H     -9.49084485     -1.68889590      0.80576428
  O     -1.98904230      2.84057278      2.22420054
  H     -8.12078541      0.24018740      6.36191234
  H     -9.57976680     -0.38716626     -0.02812703
  O     -9.66660042      4.03256530      3.59692405
  H     -9.06338646     -0.09504199      7.54023214
  H     -4.14070099      4.35099004      3.85961840
  O    -11.11053820      1.87405215      2.52884342
  H     -4.50867213     -0.26981700      4.10889134
  H     -3.95741726      5.21225768      2.60000759
  O     -6.41983655     -2.04793334      2.45144470
  H     -5.44386986     -1.44310435      3.84954127
  H     -5.06385884      2.40888454      3.74315941
  O     -9.09899687     -1.21739896      0.05551760
  H     -3.07041446      3.05562026      0.63760137
  H     -6.16871502      3.50196168      3.62670862
  O     -3.47671038      4.82681155      3.34355735
  H     -4.31243328      2.39972553      0.00128146
  H     -8.67447377      1.90662926      0.44653756
  O     -5.54561536      3.08743250      4.23985953
  H     -9.44535268     -0.05035628      3.67082941
  H     -7.87878696      1.44220113      1.69040690
  O     -7.84279012      2.03102176      0.91810231
  H     -9.99780335     -0.34731989      5.06944417
  H     -7.43127767      3.53983938      1.74173128
  O     -7.19020525      4.28286688      2.31730339
  H     -7.43937269     -1.45608489     -0.23272718
  H     -6.52041038      4.79544474      1.84908053
          69
 Energy    -248.45095845280713     
  O     17.34816796      9.49122837    -14.63320358
  H     17.46087648     10.43134336    -14.84237576
  H     11.95784835     11.74832931    -10.58212816
  O     14.17012120      7.81307239     -8.92354191
  H     16.44361243      9.23396618    -14.85145249
  H     18.25393771      4.70892329    -13.12502587
  O     17.66278163     12.18625620    -14.87307683
  H     14.17250542      7.14395584     -8.24434535
  H     16.92620959      4.63729899    -12.35335788
  O     12.45143216      8.31553198    -11.14786114
  H     14.90368716      7.60506584     -9.52858287
  H     17.02831750      7.18832312    -10.78373441
  O     19.33225827      7.93716580    -13.58079908
  H     16.91274096     12.65692185    -14.49144799
  H     16.04552702      8.27029535    -11.28462242
  O     20.25744088     10.14772353    -12.10517379
  H     18.41491197     12.38753687    -14.30046946
  H     19.09747789      5.00110308    -15.59308110
  O     18.79329651      6.85566351    -11.07259725
  H     12.93117192      8.06584060    -10.34881707
  H     17.87366241      5.76997709    -15.03982447
  O     12.89585999      6.95708294    -13.44688001
  H     12.38028229      9.27691948    -11.11878280
  H     18.23405399     13.11681668    -11.85276743
  O     15.55258701     13.43323388    -13.35594023
  H     19.33032874      7.08953834    -14.04156156
  H     17.36304245     12.55418979    -10.71172871
  O     14.62530310      8.74762390    -14.86831037
  H     18.65197396      8.47615616    -14.01417382
  H     15.74456111      7.08385709    -15.29261785
  O     14.06487393     11.07539972    -13.32605255
  H     20.05216429      9.86234927    -11.20811453
  H     15.86008594      5.94250604    -14.27691641
  O     12.61317027     11.15403061    -10.93728528
  H     20.08882124      9.38780502    -12.67766575
  H     16.78542706      9.70186964    -12.90445014
  O     17.88107116      4.54366028    -12.24926451
  H     18.57316328      5.94193126    -11.30525854
  H     15.42266379     10.23114425    -12.42811835
  O     16.09516986      7.43435014    -10.79722682
  H     18.99402510      7.29077964    -11.91508075
  H     19.92513244     11.75598395    -12.64480636
  O     18.77974281      5.47730129    -14.83082235
  H     12.05903128      6.66320762    -13.79769047
  H     20.52214008     13.12193080    -13.05284917
  O     17.39907249     13.24618214    -11.38378783
  H     12.70135313      7.44489793    -12.62671817
  H     16.91128340     10.55049426    -10.65835818
  O     16.19972281      6.25339496    -15.12853011
  H     15.31602480     14.35032526    -13.46631746
  H     17.97936738     10.34465471     -9.56814475
  O     16.23798615      9.81828505    -12.11801506
  H     16.16492292     13.39103588    -12.59888824
  H     14.30524010      5.83330510    -12.89272737
  O     19.69810116     12.65583714    -12.93989803
  H     14.36339390      9.60029558    -14.49392008
  H     15.47798014      6.17093196    -11.96134355
  O     17.23101936     10.90031940     -9.81010586
  H     14.04296320      8.10611009    -14.44083816
  H     20.05329096      8.87478785     -8.85328454
  O     15.17593381      5.52247990    -12.61382049
  H     13.46432817     11.14853127    -12.57236548
  H     19.23572159      8.21949719     -9.98566074
  O     19.43621344      9.06739382     -9.55554095
  H     14.51908247     11.92610637    -13.40756556
  H     15.45510250     10.80361586     -9.19114071
  O     14.50902211     10.64619229     -9.07741646
  H     13.30109570     11.05374452    -10.25393870
  H     14.41149841      9.70761604     -8.87370413
          69
 Energy    -248.45092823785296     
  O     16.59193525     11.27736131    -15.34903160
  H     16.79410796     10.70678401    -16.09842460
  H     15.99152320      4.35805622    -17.09372548
  O     14.36396291      6.70899346    -16.28811815
  H     15.63700040     11.21317229    -15.21869439
  H     19.43764571      5.84363844    -14.48756727
  O     17.61309129      6.28587351    -11.74488265
  H     15.19261914      6.96155386    -15.84986013
  H     19.40546476      5.83132235    -16.05218506
  O     20.03361727      6.36604349    -17.69438301
  H     14.60194150      6.01110285    -16.91032043
  H     18.85449898      9.24586927    -17.07135425
  O     17.53561528      6.67620992    -18.65349866
  H     17.24498121      7.16067189    -11.94359227
  H     19.97161921      8.19160097    -17.10279070
  O     12.78796514      8.80917751    -10.45765868
  H     18.52942912      6.30163859    -12.04413588
  H     17.51945987      6.82660449    -15.17481885
  O     13.70371068      6.24482991    -13.65065814
  H     19.15866444      6.42956398    -18.12087749
  H     16.79589432      7.89176104    -14.28557302
  O     16.61466529      8.66841210    -12.61253831
  H     20.63751516      6.02741691    -18.34919257
  H     13.79732583     10.16653316    -14.24255114
  O     16.77110978      3.85256517    -15.63252335
  H     17.22906704      7.54438714    -18.36678837
  H     13.10283156     11.42935820    -14.80027840
  O     13.24259007      6.13437400    -10.81553022
  H     16.83255622      6.04617882    -18.45340965
  H     16.11085612      4.54645975     -9.36645084
  O     19.95589347      9.01683184    -13.97044220
  H     12.04203364      8.97128920     -9.88686054
  H     16.46411275      5.42021933    -10.58725128
  O     15.57089583      4.74567163    -17.88319816
  H     12.91560678      7.84421192    -10.46564385
  H     14.08457537      8.39147022    -17.07595149
  O     18.90592935      5.60450286    -15.25624178
  H     14.44425859      5.64942595    -13.47179656
  H     13.95398304      9.85701092    -16.62389971
  O     19.73485513      9.04936914    -16.72973965
  H     13.69339018      6.35279280    -14.61146578
  H     20.11054431      7.47792910    -13.27298868
  O     16.78897509      7.45745820    -15.14693239
  H     15.66782163      8.85798582    -12.64756031
  H     21.04120619      6.43961374    -12.59739936
  O     13.81864009     10.81966138    -14.96188408
  H     17.09614452      9.50273939    -12.67620511
  H     15.59019862      4.18909863    -12.17138503
  O     15.75032463      4.90907467    -10.17170141
  H     16.34570555      3.92211465    -14.76942119
  H     16.55870874      5.15587740    -12.82710675
  O     14.19635072      9.30430485    -17.37659920
  H     17.60298294      4.33796976    -15.54013117
  H     13.77640048      8.02774293    -13.23173698
  O     20.15756781      6.56407696    -12.93176723
  H     13.23541651      6.07816664    -11.77946611
  H     13.46392977      9.03339818    -12.08440370
  O     15.85130269      4.52705368    -13.03339292
  H     14.06262072      5.71706564    -10.52406048
  H     18.25676581     11.83687532    -12.72239852
  O     13.87195064      8.95118237    -12.95918465
  H     19.93120374      9.06777419    -14.93751762
  H     17.57624619     11.16493415    -13.94095990
  O     18.07179393     10.99071560    -13.11975472
  H     19.40979469      9.74010943    -13.64557645
  H     16.94977544      8.59207711    -16.52231558
  O     16.92828516      9.16732367    -17.30500009
  H     15.26278414      4.01939699    -18.41823617
  H     15.98995920      9.30528550    -17.50678223
          69
 Energy    -248.45080669151855     
  O     10.51820849     10.82933224    -10.07234917
  H     10.88517636      9.98891482    -10.40279725
  H      9.43290610      9.32851953    -16.82874286
  O     14.30870091     11.06691289    -12.59076687
  H      9.72797762     10.61277905     -9.58476650
  H     13.60181859     13.50374091    -14.63881754
  O     16.69573441     13.10675715    -15.01878120
  H     15.25044351     11.29104772    -12.61056166
  H     13.12238408     13.69465889    -16.09232508
  O     16.37289862      7.53952381    -12.13877013
  H     13.81866503     11.89206677    -12.66740699
  H     17.50161550     10.67687045    -17.52646617
  O     10.81259333     11.76605747    -12.71861638
  H     16.94002687     12.40765063    -15.63682963
  H     16.12883586     10.78476885    -16.82500227
  O     11.43943758     13.81444217    -16.92642041
  H     15.79391460     13.36450913    -15.24756890
  H     13.36421437     13.69815946     -9.93371180
  O     14.34998558     10.95929293    -16.72643907
  H     16.72782366      8.07657673    -12.86405930
  H     13.74083339     15.20051447     -9.98819169
  O     14.95756280     10.66372153     -8.76215661
  H     16.81609763      6.69660537    -12.19552713
  H     17.12970946     10.06607072    -13.59270413
  O     12.96861054     13.47184580    -12.95931393
  H     11.09302568     10.93455339    -13.12835395
  H     17.20481356      9.64148202    -15.06695200
  O     14.19075399      9.23674312    -14.57533556
  H     10.60499148     11.56008782    -11.79969834
  H     15.50862327     13.39788283    -10.40586744
  O     12.70245310     12.35575046     -9.08771980
  H     10.81903728     13.42077030    -16.28664603
  H     15.89235396     12.06530425     -9.74537774
  O     10.04425686      9.84415962    -16.30963367
  H     11.00334012     14.57631609    -17.29844190
  H     12.38196280      9.13221407    -14.22845079
  O     13.88846862     13.44209483    -15.56203853
  H     14.21813337     10.29627894    -16.03342722
  H     10.94132963      9.38289821    -14.74543041
  O     17.08641254     10.72322159    -16.66885082
  H     14.20289027     11.82469382    -16.31528149
  H     11.66645134     12.08761411    -17.75118058
  O     13.81089024     14.38015344    -10.46892967
  H     15.33547996     10.22096047     -8.00658765
  H     12.72709765     10.98082129    -17.65334387
  O     17.05588770      9.29633116    -14.17938500
  H     14.78473587      9.97955827     -9.43050817
  H     11.50412391      8.68767428    -12.13575279
  O     16.23019981     12.76429073    -10.31838199
  H     13.21959214     13.89586538    -12.12818447
  H     12.55883793      8.58529032    -11.00721355
  O     11.47364463      9.30120771    -13.94378984
  H     12.13417620     12.99829824    -12.82801073
  H     16.96794137     12.29564036    -13.43088146
  O     11.80988244     11.14610418    -17.90934482
  H     14.14144283      9.93696012    -13.90215669
  H     16.90530267     12.11121933    -11.86349974
  O     11.60812069      8.62148302    -11.17780377
  H     15.10444895      8.93801139    -14.52628205
  H      9.69669620     11.60257640    -15.59492597
  O     16.99927399     11.64889283    -12.70881244
  H     11.94561784     11.83161463     -9.37565633
  H     10.00706943     12.37259407    -14.30259439
  O      9.76921376     12.49357987    -15.23074501
  H     13.41439664     11.73553341     -8.88451016
  H     14.29070942      9.72780895    -11.42445480
  O     14.38522400      8.96637929    -10.83037910
  H     10.67729380     10.24215788    -16.93387219
  H     15.05541489      8.38953820    -11.22217817
          69
 Energy    -248.45074606940193     
  O     11.69838279      9.67261090    -10.41681412
  H     11.58584750      9.07835051    -11.16988879
  H     11.18689510     12.78821975     -8.68507314
  O      8.73947444      9.93559749    -12.61475792
  H     11.20771682     10.47258959    -10.64041191
  H     11.37238483      8.86197650     -7.36710821
  O     14.12695197     10.39579391     -9.44593134
  H      8.49008297      9.63452924    -11.71969187
  H     11.41042405      8.74105050     -8.90680433
  O     15.55507640      8.06873216    -10.23173854
  H      7.94054785      9.95516389    -13.13355543
  H     11.81634664     11.09889765     -6.78551757
  O     12.77369610     15.31366988    -12.29716119
  H     13.27735326     10.11984290     -9.82871591
  H     11.25893460     10.64945048     -5.41833047
  O      8.20687377      9.12904893    -10.11889170
  H     14.71407693      9.63644384     -9.52816951
  H     12.73921313      6.38874023    -10.15149755
  O     12.73972555     12.56776455    -12.90858164
  H     14.76839461      7.53742810    -10.00459105
  H     12.81356985      7.17559354     -8.83581706
  O     15.07288929     14.51010394    -10.76573164
  H     16.29600893      7.65758732     -9.79471537
  H     14.77529701     11.43505049    -10.77237336
  O      9.34211042      6.68928626     -9.13927463
  H     12.33122108     15.40353247    -11.43392786
  H     15.44392506     11.09526283    -12.11184765
  O     11.74314623     15.47057892     -9.78824589
  H     12.59861842     16.11682462    -12.78008781
  H     11.73147179      8.81913222    -13.29476144
  O     14.06088027     14.67687352     -8.25327204
  H      8.48834859      8.25670931     -9.82208927
  H     10.23625990      8.80522247    -12.85267700
  O     10.37913038     13.12613595     -9.09456440
  H      8.39996075      9.74262886     -9.39489158
  H     11.18147939     12.10796983    -12.09440028
  O     11.37634304      8.22172003     -8.08695110
  H     12.69414511     13.53064657    -12.84654091
  H      9.81408364     11.33295715    -12.02364262
  O     11.25880742     10.43488749     -6.34790691
  H     13.55066978     12.31504161    -12.44520906
  H      9.24258987     11.75380038     -8.40737322
  O     13.36277728      6.74350982     -9.50007543
  H     15.25452492     13.61528291    -11.08265716
  H      9.59444186     10.64174293     -7.42267585
  O     15.10978321     11.83327235    -11.58955041
  H     14.40715781     14.87083189    -11.36425237
  H     12.87257088     10.83410242    -13.75433080
  O     11.07202376      8.32753073    -12.78207822
  H     10.03327257      7.17056315     -8.65383204
  H     13.87564328      9.67342572    -13.57650540
  O     10.42741394     11.89070251    -11.52866599
  H      8.96267951      6.06358722     -8.52690024
  H     15.56544909      8.81302834    -11.91146570
  O      8.94664672     10.89107330     -8.08957086
  H     11.11182403     14.77787617     -9.55036155
  H     16.21850900      8.84481449    -13.30990914
  O     13.00652483      9.89482455    -13.93083191
  H     12.48375068     15.35750640     -9.18118510
  H     10.54048040      6.14948025    -10.59386638
  O     15.59239602      9.29920007    -12.75058176
  H     14.49430876     14.61312067     -9.12351775
  H     11.19761885      6.73197260    -11.86116063
  O     11.29576106      6.04718844    -11.18479209
  H     14.60783994     15.24355264     -7.71568423
  H     13.23961750     13.06060042     -7.86943098
  O     12.78849285     12.20739690     -7.83238156
  H     10.33596552     12.74800198     -9.98755454
  H     13.32936564     11.58322063     -8.33742159
          69
 Energy    -248.45059372526390     
  O     15.31352295     10.63589436    -16.37241058
  H     14.50995542     10.70089065    -15.84310328
  H     18.97152629      4.98269428    -11.67584985
  O     16.53827328      4.86579192    -14.26334156
  H     15.13219325     10.00101669    -17.07829463
  H     19.95192088     10.99226869    -17.65074528
  O     17.26181719     13.12061534    -10.62372285
  H     17.20870465      5.01121391    -13.58525654
  H     18.74694965     11.15233774    -16.69163287
  O     19.62467994      9.05513294    -14.72831681
  H     16.91538519      5.20963763    -15.08406090
  H     16.43613326      9.38977429    -15.42218559
  O     13.35205763      7.91263056    -15.75134105
  H     16.53432734     12.60617343    -10.25124361
  H     17.79951720      8.86277004    -14.85255336
  O     17.46032107      9.70404199     -9.12587241
  H     18.06867044     12.71177258    -10.28624880
  H     12.10702223     10.71287274    -15.01318541
  O     15.45240388      7.97621502    -12.73135373
  H     19.69375247      9.61678484    -15.51119534
  H     13.04519862      9.48202709    -15.07935468
  O     16.97680720     12.00834654    -13.12257975
  H     19.61508981      9.60645579    -13.93400889
  H     16.95614382      7.96063610    -11.76483170
  O     19.99081915      6.28740733    -14.78673974
  H     13.92078110      7.91997771    -16.53020140
  H     18.29548867      8.76050468    -11.75585506
  O     14.06222828      5.84562580    -13.91100643
  H     13.60803645      7.15653620    -15.20962549
  H     18.78453050     10.81086970     -9.44494703
  O     17.71756706      6.37152162    -16.33035098
  H     16.63081121     10.15818586     -9.32079913
  H     20.12366749     11.51885307     -9.12151321
  O     18.60333849      5.52961437    -12.36596589
  H     17.54027981      8.99012054     -9.77179311
  H     19.37484516     10.73899228    -11.53546450
  O     19.34575886     10.50166876    -17.10196887
  H     14.88319621      7.23494391    -12.96458381
  H     18.33778717     10.91024382    -12.67242068
  O     16.85398875      8.67507736    -14.92837395
  H     15.95474081      8.19612054    -13.53534872
  H     14.89523597     11.04786182    -10.78697698
  O     12.97845241     10.40678178    -14.77653333
  H     16.14450048     11.53378376    -13.00844096
  H     14.37826819     11.43468637     -9.38457397
  O     17.84104553      7.99805837    -11.37131449
  H     17.08893819     12.56345985    -12.33628846
  H     17.82455312      7.60411905    -17.72807142
  O     19.44625064     11.43908945     -9.78716032
  H     20.00742520      7.25438681    -14.73321790
  H     18.24347988      9.08401170    -17.91672937
  O     19.06486866     10.35040844    -12.36208857
  H     19.64057813      5.98262456    -13.94143918
  H     14.87467151      9.63407521    -12.48936279
  O     15.17446167     11.26542269     -9.88270470
  H     13.46406262      5.15082838    -13.65037596
  H     13.95543627     10.64137762    -13.20576270
  O     17.65124432      8.40091484    -18.24977015
  H     14.93113904      5.42805058    -14.05661702
  H     17.47423301     12.22143565    -14.91712686
  O     14.60051179     10.56401750    -12.49285864
  H     18.58644795      6.25012683    -15.91504908
  H     16.74180388     11.73940077    -16.17344288
  O     17.58001107     12.11823623    -15.87133021
  H     17.30437449      7.11836729    -15.87238778
  H     14.57475081      8.35845390    -18.98605444
  O     14.94594403      8.49107890    -18.11769406
  H     18.39139316      6.38423430    -11.95772271
  H     15.91261933      8.42859265    -18.21971409
          69
 Energy    -248.45058201550853     
  O     18.04634704     10.43113682    -14.51309255
  H     17.38006234     11.12649369    -14.55609344
  H     14.09853093      8.62832011     -8.94174925
  O     14.80564913      6.24243591    -11.87993825
  H     18.20635434     10.25936537    -13.57472278
  H     15.97963993     12.45865820    -11.26062058
  O     12.07030828      9.66603507    -12.80122376
  H     14.85234865      5.90950192    -12.78394918
  H     14.48839194     12.49970423    -11.67319328
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  H     13.89297459      6.50065188    -11.69280776
  H     15.42313397      7.95601099    -11.96457237
  O     18.66508181      7.09800737    -11.21310830
  H     12.85507095      9.78045514    -13.35925890
  H     16.50093211      9.10232618    -12.02866898
  O     12.31234597      7.06029086    -16.24384568
  H     11.40673398      9.25107755    -13.36638676
  H     17.91873427      9.00337657    -15.46014119
  O     15.12307168      5.47405171    -14.50444021
  H     12.42775587     11.05557179    -11.73727124
  H     18.47293666      8.14193695    -16.62090509
  O     14.39465170      9.96230184    -14.23649120
  H     11.99292889     12.27550499    -10.89527246
  H     10.66075272      6.62661440    -13.58540194
  O     12.51114743      4.52144332    -14.91427020
  H     19.43293591      6.56536010    -11.02116866
  H     11.39917394      6.23058990    -12.30030700
  O     14.65780604     10.24063415     -9.77560331
  H     18.33347759      6.79827357    -12.07898142
  H     16.93956940      5.88624175    -13.88987539
  O     16.30065723      6.44439437     -9.57061378
  H     13.22480971      7.36976682    -16.30940673
  H     17.86168966      6.97851435    -14.44100259
  O     13.86697110      7.69500351     -8.86304031
  H     12.36526180      6.14537608    -15.94024390
  H     12.29585946      8.16409068    -11.57992169
  O     15.37180066     12.78958203    -11.93141677
  H     15.07287715      6.29374082    -15.01733306
  H     12.76405778      7.43740539    -10.26980145
  O     15.55525908      8.91145389    -12.02912998
  H     14.29730933      5.00177121    -14.66993783
  H     11.13252563      7.88895496    -15.25495473
  O     17.80873146      8.16073697    -15.93724424
  H     14.85244989      9.59498976    -13.46173599
  H      9.69455490      8.44479572    -15.13667647
  O     11.00180523      5.86443751    -13.10232826
  H     14.83251389     10.79341211    -14.45349892
  H     17.35557824     11.92029185     -9.07891785
  O     17.73552946      6.39089907    -13.68604190
  H     12.13097652      3.66552234    -15.09198227
  H     16.22765628     11.05613198     -9.69018580
  O     12.35132488      7.30862585    -11.13779929
  H     11.97229943      4.92674311    -14.21094464
  H     14.75032554      8.62195145    -15.38896701
  O     10.47791768      8.24948997    -14.62939553
  H     14.92904514      9.70360637    -10.53865505
  H     15.95394297      7.96010451    -16.09654275
  O     17.05554308     11.52509985     -9.89366952
  H     13.92503171     10.78817782    -10.08198987
  H     15.74419762     12.55469460    -13.60645920
  O     15.00381187      7.87395002    -15.94935766
  H     17.15283629      6.70044796     -9.93549640
  H     15.83733270     13.11886226    -15.04530650
  O     15.90008971     12.31456174    -14.53750334
  H     15.78436551      6.17477220    -10.34578919
  H     17.97558864     10.35005679    -11.07187030
  O     18.21163720      9.77245234    -11.80830408
  H     14.70766728      7.22100367     -8.93905411
  H     18.49830333      8.91446665    -11.46468972
          69
 Energy    -248.45038430220723     
  O     11.36202657      9.12862323    -15.14320183
  H     11.58002657     10.06463644    -15.06910342
  H     17.03253035      6.47437119    -15.04409132
  O     16.74959484      7.24838964    -13.38126035
  H     11.99909312      8.75678676    -15.76990484
  H     20.45874416      8.22097461    -13.49524463
  O     16.34238269     11.37661409    -11.96238114
  H     17.24090292      7.81283012    -12.77281556
  H     19.72900510      9.42645801    -14.09783331
  O     16.77378679     11.16749233    -14.69487308
  H     16.14182996      7.83781971    -13.85873259
  H     14.73287906     11.16704316    -17.08242342
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  H     15.37601362     11.81542389    -15.84501469
  O     14.44736878      9.57013096     -9.13660046
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  H     14.47106934      8.71867378    -15.27179412
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  H     14.53287389      9.50382812    -13.92232178
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  H     16.24099995     10.35999459    -14.77160802
  H     11.06550812      8.06368795    -13.82714514
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  H     13.91124227      4.66425525    -16.50765045
  H     10.04849627      7.21303522    -13.02762355
  O     16.53421036      7.65256799     -9.52252705
  H     13.82269943      5.52767206    -15.22901978
  H     12.36358685      6.20252875    -13.47203615
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  H     13.76605526      9.26894068     -9.74863857
  H     13.70738264      5.78403254    -12.84726611
  O     16.94695438      6.26837644    -15.98522030
  H     15.13996738      8.89757497     -9.16343094
  H     18.66670321      9.10395845    -12.00199321
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  H     15.50083412      6.67302458    -12.22428817
  H     17.35194745      9.87258267    -11.65118449
  O     14.58263235     11.82780439    -16.39520023
  H     15.34142387      6.70554330    -10.70216834
  H     15.62776645     12.51761700     -8.60429568
  O     15.05608918      8.99937579    -14.55963759
  H     13.16659632     11.06777897    -13.31342219
  H     15.29337064     11.14423090     -9.21103890
  O     10.97141713      7.44565728    -13.07944730
  H     13.34591308      9.96241597    -12.19494806
  H     16.00510348      9.33994036    -17.92525531
  O     13.15165903      5.66803868    -13.62758886
  H     17.31567299      7.78588284    -16.87664709
  H     15.24722746      9.80535868    -19.19192741
  O     17.84184667      9.05234381    -11.49898784
  H     18.11575053      9.11201750    -16.78990899
  H     13.55421841      7.81022725    -11.37102737
  O     15.83467194     11.94258145     -9.33547131
  H     17.14608728      7.34650752     -8.85798645
  H     12.10532798      8.15035524    -11.78224968
  O     15.15994812      9.70459495    -18.24801577
  H     17.05685181      8.15057763    -10.17465897
  H     13.11725409     11.82176977    -15.43037814
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  H     18.33137271     10.68302399    -15.31821018
  H     11.88865398     12.61458666    -14.92824392
  O     12.34279663     11.78075652    -14.84120705
  H     19.65233275     10.98880337    -16.06262883
  H     13.98462325      8.59642799    -17.34760761
  O     13.43851618      8.14414319    -16.69160672
  H     16.05011161      5.92970124    -16.09013376
  H     13.69948235      7.21435315    -16.65173253
          69
 Energy    -248.45036416222953     
  O     -3.89019801      1.58906381      4.25351461
  H     -4.47591448      0.96628227      4.70027005
  H     -4.30428550     -2.06949181      2.38792801
  O      0.50287882      4.85618857      1.32900269
  H     -4.37024472      2.39828398      4.02465521
  H     -2.75614223      3.51371035      0.73668000
  O     -0.61640071     -0.02512024      1.52641658
  H      0.67684125      4.12093590      0.71436574
  H     -3.56804880      2.20854768      0.54947006
  O     -5.21763839      0.74384341     -1.94072694
  H      0.99904407      5.60447893      1.00792519
  H     -6.75879764      2.29190695      0.70592623
  O     -3.07057775     -0.88549123     -1.67197338
  H      0.33385989      0.09351745      1.64828520
  H     -6.28833221      3.55792231     -0.01589439
  O     -4.13652148      0.86711583      1.56731752
  H     -0.83344363      0.40752579      0.68739950
  H      1.47970698      2.03476055      0.33616380
  O     -7.66571158      3.04916548      3.47248309
  H     -5.82179749      0.55807727     -1.20720512
  H      0.29110190      2.17653085     -0.63195888
  O     -7.63709902     -1.54652258      2.03682863
  H     -5.22929515      1.70201827     -2.03865041
  H     -1.83982892      3.45665321      2.70880710
  O     -1.28832618      1.89611966      3.50067335
  H     -3.03570043     -1.47206821     -2.42330940
  H     -1.26838174      4.65886986      1.93984730
  O     -5.17484616      3.62027399     -1.63081791
  H     -3.84742088     -0.31208127     -1.80282707
  H     -5.37066707      3.70150011      2.27252546
  O     -6.60617637      0.48936615      0.44183216
  H     -3.70922255      0.01132771      1.43547132
  H     -4.01125660      4.22817025      2.80933524
  O     -5.00191590     -2.08467480      3.05281699
  H     -4.07360972      1.08270448      2.50584740
  H     -5.32312824     -1.02561127      6.04272034
  O     -3.15719216      2.94390871      0.06769478
  H     -7.60342150      3.17461106      2.51623377
  H     -5.20949164     -1.11914768      4.50096051
  O     -6.62389141      3.24322070      0.83006565
  H     -6.88345957      3.49868220      3.80563822
  H      1.12318867      3.70944392      2.80051601
  O      1.01479340      2.66880498     -0.22373150
  H     -7.79458542     -0.89105103      2.74295176
  H      0.41512921      2.61058070      3.61053561
  O     -2.09772989      4.26055651      2.23284430
  H     -8.40376933     -2.11183701      2.00884907
  H      2.91610260      0.53097378      1.97732834
  O     -4.87291849      3.89011581      3.08017847
  H     -1.13872769      1.19551931      2.85231490
  H      1.87512490      1.59414297      2.40413981
  O     -5.40724117     -0.51649049      5.24092955
  H     -2.13889202      1.72076993      3.92662705
  H     -7.84717108      1.25171592      3.84732409
  O      1.29022278      2.94314004      3.36175147
  H     -4.96249012      4.35349392     -2.20247222
  H     -7.07894500      0.10071310      4.54862283
  O      2.04902111      0.87086278      1.77484333
  H     -4.39268035      3.46233648     -1.07305588
  H     -2.98171853     -1.49131728      0.13868945
  O     -7.83720516      0.29458435      3.98493667
  H     -5.75296001      0.59425444      0.89300999
  H     -2.04204223     -1.23229217      1.34634233
  O     -2.91523804     -1.57069650      1.09981804
  H     -7.06170186     -0.23546070      0.88423106
  H     -1.91657921      1.86212220     -0.66104064
  O     -1.28013330      1.17871223     -0.91898585
  H     -5.84560754     -2.02290778      2.58638746
  H     -1.79375732      0.46078413     -1.30764356
          69
 Energy    -248.45035757847870     
  O     13.75408683     10.62986904     -9.89671877
  H     14.59759862     10.17573424    -10.02867456
  H     13.79376243      6.47388071    -11.27142592
  O     16.76374489     12.79260706    -12.37830652
  H     13.84627911     11.51349778    -10.28239155
  H     11.42932176      8.11974930     -9.31152826
  O     11.85751083     10.80569288    -16.09939538
  H     17.31984301     13.52831899    -12.62145694
  H     11.00669116      8.53382408    -10.72629716
  O     10.69208642      8.98998222    -14.45352954
  H     17.19387765     12.35175247    -11.62489491
  H     13.57306979     12.68921605    -12.16652794
  O     12.98943219     11.65723160    -13.67152192
  H     11.24820136     11.14483997    -16.74910397
  H     14.98691928     13.00120971    -11.65458360
  O     15.61277243     10.77316181    -13.99435519
  H     11.37190279     10.14444408    -15.57396521
  H     13.57359328      9.99460162    -16.31208262
  O     16.18516430      9.25960594    -10.20744560
  H     11.13884027      8.14129008    -14.59779808
  H     14.94059531     10.02788749    -15.59322021
  O     14.90077884      4.10185517    -12.66265679
  H     10.79785901      9.19626644    -13.52154673
  H     14.16545892      7.79318773     -8.31337767
  O     17.81640184     11.45497218    -10.26204353
  H     13.89522668     11.32630850    -13.77094309
  H     14.65854181      6.69015478     -9.26725615
  O     13.46941718      7.74298251    -12.49489089
  H     12.56716441     11.55565000    -14.53225530
  H     11.01523007      6.11495033    -10.50782506
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  H     10.48798860      4.69276955    -10.21805677
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  H     16.08758324     11.47251175    -13.52947152
  H     15.72513865      6.25740313    -15.04817319
  O     10.92662865      7.82292628    -10.08147775
  H     15.88935710      8.55643087     -9.61104782
  H     15.84986866      5.33455187    -13.81704350
  O     14.06872158     12.91863195    -11.36928835
  H     16.27223807      8.88412779    -11.09489929
  H     14.65122421      6.59993339    -17.29304661
  O     14.43574896      9.56339998    -16.27271495
  H     15.37079016      3.33565292    -12.34126229
  H     14.52231257      7.83802559    -16.37457534
  O     14.96334351      7.36790087     -8.64859416
  H     14.67021113      4.63341266    -11.88265063
  H     12.10918434      5.83132459    -14.36402695
  O     11.16625609      5.17032512    -10.68855112
  H     17.27989079     10.65078576    -10.16467757
  H     12.96346990      6.66799455    -15.38364609
  O     16.29963811      6.03489695    -14.30460757
  H     18.49483468     11.40266809     -9.59442572
  H     12.99755844      9.63465441     -8.63236642
  O     14.50452935      6.86369142    -16.38834672
  H     12.92838983      8.50114507    -12.24650760
  H     12.37974072      9.36170648     -7.24282493
  O     12.23431603      6.71039381    -14.75236452
  H     13.08187183      7.36475896    -13.29561572
  H     15.15476520      8.17511029    -12.69359811
  O     12.60651424      8.94370654     -8.07005753
  H     13.02519694      4.16243333    -13.16854086
  H     16.41326949      7.56472700    -13.31733671
  O     16.10694694      8.32499535    -12.80530601
  H     11.72074023      4.60611836    -12.46768372
  H     12.43608000     10.15201796    -11.07547267
  O     11.87587783      9.92553548    -11.83278466
  H     13.01399341      5.39247969    -10.50599968
  H     12.14751236     10.54256867    -12.52899954
          69
 Energy    -248.45032608815222     
  O     13.80697219     13.12849233    -10.77667517
  H     14.59193829     13.23594081    -10.22169060
  H     13.50965721     13.59319392    -16.10590285
  O     14.80261734     11.35069213    -18.12461721
  H     13.30599129     12.39283840    -10.40083121
  H     12.49782103     14.13154854    -14.27510688
  O     17.54314446     13.61952231    -11.63492051
  H     14.59030261     11.57388454    -19.02652330
  H     11.20637490     14.24026419    -15.12232408
  O     13.92525369      9.59635945    -16.11818341
  H     14.64824184     12.15062593    -17.58929674
  H     18.04435077     10.60673867    -12.53116755
  O     15.25928875      7.09697166    -12.41189465
  H     17.07169792     13.88361413    -12.42955225
  H     18.65497429     11.59047628    -13.56335519
  O     15.86313189      6.13781342    -15.05602439
  H     18.04370870     12.82765169    -11.88750589
  H     12.50032261     10.43753852     -8.93842882
  O     14.75570006     11.54396526    -12.90695170
  H     14.12774205     10.12301119    -16.90147186
  H     13.82762887     10.45186998     -9.73258584
  O     11.73536764      9.43861521    -12.09332470
  H     14.77784122      9.37302547    -15.71849101
  H     16.55389744     10.96300513    -17.46351809
  O     16.46768173      8.86614352    -15.13611373
  H     15.56055619      6.63319315    -13.20252465
  H     17.13144487     10.02738893    -16.37929414
  O     18.41064322     12.55185708    -15.24315933
  H     14.29583011      7.03949366    -12.43348621
  H     13.34266548      7.80408329    -15.81522176
  O     12.42041089     11.01529283    -14.28559197
  H     16.10690184      5.31887224    -15.47734014
  H     12.90588796      6.91870156    -14.62139393
  O     14.38099864     13.45965914    -16.49825731
  H     14.93147964      6.31137459    -15.28490106
  H     15.93022417     11.21949986     -9.53438092
  O     11.98711616     13.70960610    -14.98979007
  H     14.48305106     12.05695418    -12.13518525
  H     16.05193520      9.98760590    -10.46442574
  O     18.68160904     11.32480759    -12.63594963
  H     13.95200444     11.32935600    -13.39888867
  H     16.05922831      8.65561570    -12.27992533
  O     12.87890532     10.66710719     -9.78345083
  H     11.86489454     10.03076313    -12.84695391
  H     15.83854363     10.20073314    -12.53133160
  O     17.35197433     10.77160237    -16.95782186
  H     12.10410726      9.87938867    -11.31929468
  H     13.60415668     14.29660498    -12.22657836
  O     13.29974539      6.89095070    -15.50376687
  H     16.39378404      7.90345983    -15.17773510
  H     14.51229060     14.60347589    -13.43712776
  O     15.57767355     10.33575888     -9.70216006
  H     16.58073278      9.09724713    -14.20677628
  H     11.83061782      6.32520426    -12.40532906
  O     16.50335408      9.51629080    -12.35073878
  H     18.07377286     11.92678727    -15.90938695
  H     12.14910621      7.83316274    -12.52686380
  O     13.62360943     14.73782566    -13.08703573
  H     19.20150775     12.94325274    -15.60478373
  H     16.62029376     13.55124130     -8.62639779
  O     12.44234102      6.94407104    -12.79497181
  H     12.85144952     10.53355712    -15.00674070
  H     16.75590656     13.32902142    -10.15288837
  O     16.22724514     13.09797000     -9.36670518
  H     12.17540184     11.89382410    -14.60022120
  H     16.91079380     13.34312696    -14.57209646
  O     16.07306227     13.62776838    -14.18044546
  H     15.01495987     13.59649309    -15.78445607
  H     15.66645072     12.84070699    -13.78373354
          69
 Ord_Energy   -248.450134    
 O   -6.08943987       6.14026880       5.34375429    
 H   -5.59204674       6.87905645       5.71184731    
 H   -5.64706945       5.88168716       4.52107525    
 O    2.13137412       2.49261189       9.35845566    
 H    2.55770040       3.16181684       8.79200459    
 H    2.83208370       2.03402424       9.81513882    
 O   -1.33350670      0.413902223       5.42306757    
 H  -0.619894505      0.731059492       5.99208069    
 H   -2.10371137      0.308816940       5.99040222    
 O   -5.03322840       2.34763432       5.67693663    
 H   -4.66168737       1.64757371       6.23037958    
 H   -5.61747694       2.89064503       6.22285700    
 O   -2.96947956       4.22791958       6.17004776    
 H   -3.66422677       3.63588715       5.85396957    
 H   -3.37433434       4.82034206       6.81793070    
 O   -2.03669143       5.73572350       4.01932287    
 H   -1.26692128       5.30775881       3.62801671    
 H   -2.30706406       5.17754936       4.76553440    
 O   -3.64157367      0.524531841       7.28204060    
 H   -3.06607890       1.18543577       7.70494461    
 H   -3.80008578     -0.159031644       7.92803717    
 O  -0.267311871       6.20720911       7.53949022    
 H  -0.826965451       5.76040459       8.18838787    
 H   0.515769243       6.50906134       8.01723385    
 O   -1.97293448       7.74860239       5.92370272    
 H   -1.97073567       7.20246983       5.12533140    
 H   -1.33750117       7.32903194       6.51816225    
 O   -1.85266364       4.86362934       9.47373581    
 H   -2.71683741       5.23557758       9.25404453    
 H   -1.86946988       3.95540619       9.13726711    
 O   -4.25460148       5.66357470       8.25811481    
 H   -4.37412024       6.53981352       7.86504555    
 H   -5.05574512       5.15867519       8.07122040    
 O   0.128725544       4.14043093       3.22421885    
 H   0.658544779       4.08459187       2.43428469    
 H  -0.491548270       3.38666868       3.20497990    
 O   -4.49152756       8.03490162       6.80092669    
 H   -4.69385147       8.95297623       6.95670366    
 H   -3.57720160       8.00148582       6.46386337    
 O   -1.64179242       2.13706541       3.26661682    
 H   -1.53697670       1.48183441       3.97155452    
 H   -2.58595276       2.22138929       3.09773517    
 O   -4.49012041       2.42301011       2.98684001    
 H   -4.76398516       2.33333826       3.91487312    
 H   -5.04812145       1.83910263       2.47845984    
 O   0.530132592       1.76121402       7.15140867    
 H    1.10197532       1.82675004       7.92594814    
 H   0.670920670       2.57503295       6.64230776    
 O   0.903110147       4.21367884       5.92056847    
 H   0.411397398       4.91698170       6.36611652    
 H   0.686918616       4.24045753       4.98073578    
 O   -1.93987560       2.50350690       8.06079769    
 H   -2.21867251       3.10131693       7.34910393    
 H   -1.05279016       2.19592166       7.82784843    
 O   -4.66656542       5.29489326       3.13846207    
 H   -4.64512634       4.35131550       2.94397235    
 H   -3.74674439       5.54744625       3.29658151    
 O    1.98971510       6.66794443       9.16479588    
 H    2.32554245       7.38511372       9.69491005    
 H    1.58525467       6.02608967       9.77720928    
 O    3.06436110       4.45141077       7.71954918    
 H    2.86374474       5.29047680       8.15296173    
 H    2.45707917       4.38963270       6.96912289    
 O   0.749629915       4.72596645       10.6021852    
 H    1.09667718       3.88725853       10.2747021    
 H  -0.188184425       4.75566578       10.3703938    
 O   -6.48425722       4.23370075       7.16314459    
 H   -6.41686773       4.92127562       6.47129917    
 H   -7.38813066       4.23333120       7.46569109    
          69
 Energy    -248.45002051422995     
  O     15.20400924      9.49437471    -10.16638392
  H     15.08743804     10.23888758    -10.77079552
  H     13.23104479      7.12179867     -9.74557841
  O     13.77932780     12.03817482    -15.52340504
  H     14.33718636      9.10641672     -9.97289856
  H     17.29010753      7.01936959    -15.41666121
  O     17.42049365     10.39352161    -13.39425513
  H     14.14954677     12.70970876    -14.93721562
  H     18.03166985      6.52483181    -14.17522046
  O     12.39627046      6.45234166    -13.81694146
  H     13.30755381     11.42184700    -14.94881662
  H     16.05375258     13.43827918    -14.19005698
  O     16.95227166      5.72587906     -8.92231084
  H     16.58253024     10.63124864    -12.97418052
  H     15.32629213     14.65307370    -13.56313716
  O     17.34496387     12.64144907    -15.07009978
  H     18.03852663     10.16937949    -12.68899027
  H     13.43696357      9.45446588    -14.04703212
  O     15.69146007      7.56305476    -12.16342912
  H     12.92450939      5.87338185    -13.24906792
  H     12.24028931      9.66436456    -13.09262951
  O     14.99441902     11.31147904    -12.24713785
  H     13.04363154      6.96520528    -14.31914951
  H     15.68320889     11.42974333    -17.99900185
  O     18.42095653      7.15779720    -12.49220866
  H     17.48292312      5.37976820     -8.20864154
  H     15.07478565     11.47440285    -16.57911481
  O     19.14900901      9.57991006    -11.28643041
  H     17.30211095      5.33495764     -9.74382678
  H     11.59520120      7.59032430    -12.77528386
  O     16.37479526      4.11428997    -13.59905539
  H     16.97722819     12.24589017    -15.86996766
  H     10.31753869      8.23021800    -12.18123256
  O     12.93448080      8.03065373     -9.86111110
  H     17.54971159     11.89629867    -14.48735425
  H     13.86703572      4.90778093     -8.64958762
  O     17.51903050      6.21610430    -14.93673967
  H     15.49049575      8.18207457    -11.45051289
  H     15.16218060      5.57558904     -9.15767697
  O     15.25556986     13.71319202    -13.70358767
  H     15.14803767      6.77270090    -12.05221596
  H     14.23785474      5.02506151    -11.20378342
  O     12.89142158     10.13634148    -13.62250266
  H     15.06825986     12.21220263    -12.58468620
  H     14.93875710      4.68798962    -12.58130143
  O     15.86732796     11.22368585    -17.08638011
  H     14.22683155     10.91632243    -12.68618189
  H     17.42416515      4.34342204    -11.97638020
  O     11.26975466      8.28209569    -12.17125465
  H     18.87112914      7.93350474    -12.14325921
  H     18.26872296      5.57008122    -11.63180387
  O     14.22801387      5.41949709     -9.37007695
  H     17.46948659      7.32905297    -12.39074502
  H     14.92314979      7.94649568    -13.74912367
  O     14.21169092      5.16459818    -12.15791127
  H     19.92672196     10.00511694    -10.93632106
  H     15.22010219      8.39743394    -15.18375118
  O     17.90354219      4.75708454    -11.25052887
  H     18.64310455      9.24346530    -10.52425366
  H     17.43930243      7.62437132     -9.15368665
  O     14.49720793      8.15399258    -14.59454674
  H     16.72484133      4.84828740    -14.13489683
  H     16.76161069      8.96836631     -9.47887844
  O     17.62171570      8.55815778     -9.29664936
  H     16.40456960      3.33901810    -14.15380210
  H     17.14457252      9.35633804    -14.93494079
  O     16.87467119      8.93191424    -15.76297065
  H     12.33598709      8.05055725    -10.61870609
  H     16.60326374      9.64882504    -16.35009831
          69
 Energy    -248.44979895453650     
  O      1.90077305     -0.08947091      2.97061513
  H      2.81988449     -0.19507599      3.20445450
  H     -3.14300348      2.91164379      0.57974484
  O     -3.14696550     -0.65193552     -3.19992625
  H      1.86328326     -0.08833418      1.99799915
  H     -2.73592086     -0.27161860      4.92574739
  O      0.13672781     -1.77340833      4.54741572
  H     -2.40182369     -0.05906808     -3.04140496
  H     -1.76473555      0.70760938      5.61415447
  O     -4.60012297     -0.67899753     -0.85248215
  H     -2.79097441     -1.54461337     -3.10546046
  H     -1.26219295      3.84301157      1.04466354
  O     -2.09459450     -3.21443085     -2.40172082
  H     -0.55097940     -1.20590377      4.92879227
  H     -0.08608890      3.19281537      1.79860674
  O      0.12775945     -1.70061699     -1.34392063
  H      0.71613091     -1.21499388      4.01920845
  H     -3.54018403      0.74835262     -0.45517749
  O     -3.51502657      2.67066064      3.78916222
  H     -4.17843640     -1.46570392     -0.47705415
  H     -2.17290903      1.27893738     -0.96652402
  O     -3.85478568     -3.08243254      2.79461201
  H     -4.27947057     -0.61609077     -1.76393116
  H     -1.98719916      0.69739788      1.11731042
  O      0.12655236      2.04572318      3.17980955
  H     -2.21413279     -4.07882683     -2.78806544
  H     -1.04857770      0.89518761      2.34899788
  O     -0.89019278      0.79111048     -2.11959658
  H     -2.56855440     -3.22342878     -1.55401314
  H     -2.32714790     -2.62660726      0.39447963
  O     -3.91477389     -0.18915480      3.37393046
  H     -0.08763092     -1.92043832     -0.42235303
  H     -3.65561334     -3.09235027      0.96831671
  O     -3.18448936      3.70168336      1.14586641
  H     -0.43622293     -2.27504727     -1.87345519
  H      1.43193110     -0.58797138     -0.36283427
  O     -1.94863164     -0.22997288      5.48124986
  H     -3.81448436      1.76228046      3.66875997
  H      1.61472386      0.92577750     -0.16568209
  O     -0.31444727      3.67926789      0.99301292
  H     -3.43773616      3.05547006      2.90738664
  H     -2.18689131      2.70279160      4.90069582
  O     -2.85979911      1.41583387     -0.29921279
  H     -3.95385685     -2.18168992      3.12155614
  H     -1.45232513      3.21252005      6.16690231
  O     -1.62356402      0.26325793      1.90015095
  H     -2.99601463     -3.38697209      3.11660384
  H      0.54848111      2.98352423     -0.32817678
  O     -3.21961997     -2.89116970      0.12826475
  H      0.81922436      1.37767570      3.26341342
  H      1.63657989      3.15550269     -1.41474743
  O      1.79947157      0.06894738      0.23858188
  H     -0.25725442      2.21924344      4.04872963
  H     -0.84078370     -4.66289063      3.76619648
  O     -1.39899527      2.57445189      5.46113167
  H     -0.21837679      1.44886710     -1.89940331
  H     -0.66832404     -3.13158112      3.91645201
  O      1.03321042      2.52187520     -1.03597680
  H     -0.52229046     -0.06723384     -1.86331978
  H     -0.78041637     -2.84323270      1.90692695
  O     -1.14827438     -3.82673414      3.42815577
  H     -4.66519415     -0.11723842      2.76487063
  H     -0.97309094     -1.34596846      1.50779557
  O     -0.73722923     -2.22338117      1.16925441
  H     -3.10338377     -0.08263128      2.85197019
  H     -5.57979359     -0.21793728      0.60749759
  O     -5.91218532      0.01028817      1.48932421
  H     -3.80399204      4.30023415      0.73537242
  H     -6.84866108     -0.17341013      1.47334848
          69
 Energy    -248.44970157176357     
  O     10.40180742      9.76191885    -12.77370350
  H     11.08065911     10.36074354    -13.10828084
  H     18.10572154      7.05359138    -15.48182496
  O     14.35872356      7.08367392    -15.21686814
  H     10.14960688      9.20103896    -13.51819911
  H     15.62737892     12.05255458    -15.03551267
  O     16.46029266     10.75166735     -9.88713452
  H     13.63416292      7.68023334    -15.45008055
  H     14.88466795     13.30560884    -15.54835711
  O     18.86825376      9.99210301    -16.40583562
  H     14.11962742      6.62878066    -14.39626786
  H     16.11791897      9.71882310    -14.19465839
  O     12.42541137      8.99226468    -15.65547109
  H     16.44421354      9.78187579     -9.79035646
  H     15.20528522      8.44430854    -14.32906317
  O     13.82803973      5.94205563    -12.76662564
  H     16.58374287     11.11558918     -9.01488506
  H     10.11635672      8.06810204    -10.09973190
  O     14.33829857     10.38287987    -11.71409487
  H     19.57944107     10.27763420    -16.97216628
  H     10.64845348      8.67262894    -11.42098987
  O     16.82606972      8.96740687    -17.79170456
  H     18.16027544      9.65250863    -16.98589711
  H     16.84920936      8.10788430    -12.81916057
  O     16.41708171      5.05749114    -12.39910918
  H     12.51943865      9.69186059    -14.99356315
  H     18.18934919      7.50466654    -13.25879610
  O     17.14171560     11.21240226    -14.59992376
  H     11.55999572      8.58935859    -15.51375571
  H     11.95682199      5.89488024    -12.95398455
  O     16.64699704      6.40874259    -16.53674350
  H     14.67016809      5.48628333    -12.63110593
  H     10.87221073      6.62064908    -12.13704916
  O     18.76779980      7.50121239    -14.93874043
  H     13.76867959      6.61906089    -12.07711443
  H     18.25843442      9.58220100    -12.17166938
  O     14.75865351     12.38938675    -15.31307473
  H     14.82374148      9.92368065    -12.42079736
  H     17.67620513     10.73876491    -11.34646824
  O     15.61811368      9.05251850    -13.70552466
  H     14.99363193     10.68823552    -11.07646584
  H     16.84091296      7.75746872    -10.70543386
  O     10.79503420      7.97009976    -10.76203366
  H     15.96879740      9.40095041    -17.66606327
  H     15.40572989      7.80558024    -10.12039109
  O     17.61904682      7.62239816    -12.48247691
  H     16.72399844      8.05302002    -17.50345508
  H     13.66962765      9.77826179    -16.85548968
  O     11.02050914      6.13298543    -12.95702583
  H     16.92033709      5.88343077    -12.43715828
  H     14.52978423     11.03673408    -16.67875350
  O     18.18467383     10.54178836    -12.14344514
  H     16.93031000      4.46301811    -11.85635841
  H     13.78939503      8.77495778    -11.07491834
  O     16.32611746      8.03882538     -9.93939612
  H     17.54884194     11.11565119    -13.72542294
  H     12.64613314      7.85012379    -10.61245314
  O     14.43854958     10.23930289    -17.21254174
  H     17.77620462     10.88126397    -15.24933249
  H     13.29062322     11.65319292    -14.33713457
  O     13.59814535      7.87607124    -10.77047999
  H     15.80454551      6.58997255    -16.08645524
  H     13.18746465     10.92120115    -12.98878686
  O     12.69896436     11.10774596    -13.80451594
  H     16.58315192      5.52424661    -16.88822579
  H     10.36777343      7.13837019    -14.22342871
  O     10.03011440      7.81004125    -14.84343529
  H     18.93962140      8.34104535    -15.38055200
  H      9.25976374      7.43800756    -15.26345142
          69
 Energy    -248.44958245997952     
  O     16.87028962      8.01325110    -16.71245028
  H     17.69342736      8.06264523    -16.21336955
  H     14.66261727     11.12475807    -17.65949097
  O     15.60569735      9.96467275    -11.29033961
  H     16.22495437      7.61955525    -16.11241115
  H     18.55507285     12.81878287    -12.72115908
  O     18.58675935     15.31445145    -14.77795900
  H     15.53716949      9.08540926    -10.89448077
  H     19.26205253     12.37457694    -14.02438390
  O     15.02175876      7.35824743    -14.62467530
  H     14.74450860     10.16474772    -11.68127498
  H     13.90465586     13.68694076    -12.45455099
  O     15.63287213      7.21693460    -10.78510417
  H     18.84803010     14.53949557    -14.24820603
  H     13.66610946     13.34904785    -13.93728280
  O     16.37452136     11.50026487    -14.41432771
  H     19.30436910     15.93957654    -14.72642719
  H     19.79755738      7.72189576    -14.69614781
  O     13.16469811     10.51406147    -12.58929484
  H     14.44916733      6.93197285    -13.97578178
  H     18.47020508      8.31400304    -14.16363739
  O     17.12455427      8.27075055    -13.05017891
  H     14.62864349      8.22077937    -14.83059463
  H     13.02873174      5.48415911    -12.42576360
  O     18.97062977     11.09188220    -15.34568332
  H     14.88522036      6.83809383    -11.26426405
  H     12.82706403      7.00043110    -12.20018699
  O     14.20007240      9.94392084    -15.07130828
  H     16.34805441      7.25543752    -11.43096686
  H     15.54721787     15.00741066    -12.35455524
  O     16.15473735     10.37578308    -17.98822217
  H     17.23607481     11.32710122    -14.81402310
  H     15.19013962     15.23691021    -10.86392860
  O     13.81977240     11.53123361    -17.37843410
  H     16.53686961     11.78990478    -13.50690722
  H     16.43968024     13.95972350    -16.66864611
  O     19.20732514     13.09279928    -13.37888245
  H     13.10625410     11.47896335    -12.63316244
  H     17.81089939     14.56208958    -16.30266049
  O     13.32058499     13.20168254    -13.05094169
  H     13.42430768     10.23244271    -13.47826281
  H     16.40971171     13.05803030    -11.59842057
  O     19.10706111      8.34706991    -14.89982607
  H     16.72849480      8.99311775    -12.54799730
  H     16.55406588     11.50858760    -11.44947528
  O     13.47004538      6.32786187    -12.48479039
  H     16.41678834      7.90845259    -13.60473280
  H     15.44103728     12.81713330    -15.16071980
  O     15.30845362     14.55828550    -11.52279231
  H     18.94461034     11.29912047    -16.28853734
  H     14.37411705     12.94745999    -16.26835648
  O     17.33293189     14.09629895    -17.00165666
  H     19.12373116     10.14325334    -15.24814360
  H     12.21096449      9.15577586    -11.96271834
  O     16.97017481     12.30202701    -11.81641504
  H     13.88355718     10.37566862    -15.87221996
  H     11.17140315      8.55121505    -11.00323700
  O     14.85810772     13.45539670    -15.60477786
  H     15.02336433     10.39961172    -14.83232704
  H     16.82985498     15.57449733    -14.21706103
  O     11.80324896      8.32082281    -11.67919923
  H     16.98334218     10.85710292    -18.08313681
  H     15.45415260     14.99173324    -14.60487964
  O     15.89947977     15.55253295    -13.95796213
  H     16.37679182      9.52068392    -17.59149035
  H     18.13764653     12.73688885    -17.70240675
  O     18.56323441     11.90975911    -17.99418859
  H     13.22975120     11.49003071    -18.12537698
  H     19.09327608     12.12327231    -18.75704881
          69
 Energy    -248.44951555361877     
  O     16.54910167      8.88193674    -15.05234793
  H     16.52723406      9.74597528    -15.47786326
  H     11.91260985     10.65478402     -9.78526137
  O     15.46322384      7.40635048     -8.71357851
  H     16.36699447      9.02666397    -14.11155807
  H     20.35661964      3.97534836    -11.57664230
  O     16.61395214     11.53848691    -15.86419102
  H     15.96643440      7.19091717     -9.51782559
  H     19.03600945      4.34380524    -12.27315516
  O     12.88739642      7.29100817     -9.94226998
  H     15.84016220      6.88871476     -8.00694059
  H     16.22749258      6.22351574    -11.62184488
  O     15.15101474      6.51423256    -15.23076121
  H     17.32386550     11.66807508    -15.20884834
  H     17.59335460      6.97022371    -11.42882396
  O     18.78454907      7.23363309    -14.91290010
  H     16.88092847     11.99562127    -16.65689166
  H     16.30782525     14.18683942    -12.06115150
  O     19.20764410      7.32709152    -12.22536394
  H     12.66231259      8.22242536    -10.05439693
  H     15.76762409     12.92162760    -12.77347138
  O     12.57215691      5.55339885    -11.97613020
  H     13.71576195      7.27315098     -9.44808680
  H     16.49164154      5.43820522    -15.76867787
  O     14.64411228     12.19131309    -13.86867467
  H     15.63756789      7.35088408    -15.25856607
  H     17.26427746      4.58646136    -16.79780972
  O     12.74378589      7.34079301    -14.22933902
  H     14.23447788      6.74868000    -15.02136748
  H     16.10437520      8.33955736    -11.93337862
  O     13.30776922      9.84561046    -12.95976045
  H     18.08686092      7.88959616    -15.05151108
  H     16.25961634      9.87453457    -11.82912089
  O     12.53748340     10.10598766    -10.25141942
  H     18.45200973      6.41675814    -15.30139997
  H     17.86580649     12.45557842    -13.26155186
  O     19.75762624      4.70103412    -11.72719376
  H     19.54733477      6.45902931    -11.96415313
  H     18.77817817     11.21028388    -13.27217941
  O     16.69975297      6.86859546    -11.07561666
  H     19.09602317      7.29782892    -13.18937948
  H     16.89613091     11.88433979    -11.09762933
  O     16.49190048     13.26523440    -12.21838651
  H     11.84926097      4.96470615    -11.77726196
  H     17.94273716     10.73626651    -10.93536714
  O     17.32350048      4.95886628    -15.92165522
  H     12.65012982      6.16823118    -11.22466862
  H     14.33402797      5.20911835    -12.43081425
  O     15.91618094      9.16905627    -12.39020209
  H     14.08053736     11.43949622    -13.64627006
  H     15.25306479      5.66676432    -13.58754750
  O     18.39386512     11.88837494    -13.83882880
  H     15.15144915     11.94383544    -14.65131548
  H     20.33937578     10.20830598    -11.60073208
  O     17.07141214     11.04346550    -10.65262458
  H     12.56297350      6.75943708    -13.48094155
  H     19.35496132      9.07787202    -11.95152421
  O     15.25238483      5.22310516    -12.72764747
  H     12.82243890      8.23209718    -13.86522453
  H     15.72790876     10.54223550     -9.49179088
  O     19.42819788     10.03922124    -11.83009827
  H     14.21071045      9.54278692    -12.77577095
  H     15.17616032      9.27471979     -8.80666269
  O     14.95619735     10.18769866     -9.03094058
  H     12.90529319      9.98906529    -12.09411622
  H     17.67422525      4.10163468    -14.23145208
  O     17.66276753      3.85647652    -13.29842130
  H     13.39674413     10.21783011     -9.80534959
  H     16.79643260      4.14406656    -12.98319440
          69
 Energy    -248.44949209617181     
  O     14.63992278      9.95125277    -16.47897807
  H     13.91235237      9.42511036    -16.12635952
  H     19.50993286      5.04119508    -14.93266452
  O     14.12249137      3.78293474    -15.83823121
  H     14.97840116      9.46617180    -17.24181733
  H     18.88886228      7.41727266    -17.55050295
  O     17.71156814      7.20743119    -11.63023789
  H     14.07341333      4.05052442    -14.91059508
  H     17.65065313      7.37767744    -16.60332737
  O     20.37071412      6.46431021    -17.66064862
  H     14.09325391      4.59920856    -16.35227753
  H     17.06137495      5.67804353    -15.19137104
  O     13.46836616      6.86760127    -10.32604323
  H     17.08006707      7.68048972    -12.19392524
  H     15.81126433      6.33605508    -15.87501700
  O     14.20362340      4.74932999    -13.17779455
  H     18.57677260      7.36483748    -12.02816594
  H     11.69246242      8.25685567    -15.50245598
  O     16.05902102      8.37099629    -13.46032696
  H     20.94016426      5.88782799    -18.16171210
  H     12.86596772      7.92353008    -14.55225017
  O     17.92288527      4.16807167    -14.70434165
  H     20.40449226      6.14360771    -16.74198534
  H     15.94917575      4.92947776     -9.42944212
  O     13.14930271      4.04334462    -10.71589759
  H     14.35238910      6.93545908     -9.94456760
  H     14.89640347      3.91280889     -9.90966891
  O     18.92393487      9.47125069    -15.10165880
  H     13.24757529      5.92777197    -10.31232845
  H     13.64953730      6.94719214    -16.47885205
  O     16.43224609      2.33520305    -16.07862881
  H     13.95522950      5.68321892    -13.18156399
  H     14.70227081      6.94414301    -17.61553964
  O     20.25135880      5.64933651    -15.06341546
  H     15.13553854      4.70098265    -12.91992672
  H     20.82202514      8.17994580    -12.94820378
  O     18.08227251      7.89289417    -17.30204915
  H     16.30949920      7.75010720    -14.16356917
  H     19.59853385      8.44268449    -13.85320912
  O     16.62613466      6.51814953    -15.38988370
  H     16.20382861      9.26465812    -13.79163146
  H     17.20459489      5.46739141    -12.04425291
  O     12.63960713      8.14791155    -15.47124836
  H     17.60128649      4.14220740    -13.79252628
  H     16.58434687      4.22649049    -11.35280801
  O     15.83642775      4.01302799     -9.71273864
  H     17.48772177      3.45708129    -15.19661109
  H     16.78286007      7.01791183    -10.09123333
  O     14.28873910      6.38946483    -16.94210095
  H     13.44621510      4.18577710    -11.63030838
  H     16.54220291      7.31956519     -8.59705431
  O     19.96150756      7.83888959    -13.18053423
  H     12.44641279      3.39989212    -10.75286062
  H     14.41493663      7.86255342    -13.10809880
  O     16.83243432      4.59221953    -12.21349989
  H     18.16876233     10.05385649    -14.96126609
  H     13.39434632      7.36999100    -12.03885012
  O     16.17942677      6.85562443     -9.34800113
  H     18.75156313      9.02266591    -15.93949162
  H     15.80958387     10.59350625    -15.37260978
  O     13.52977379      7.48472985    -12.99051841
  H     16.25466330      1.44412385    -16.36558149
  H     16.27787495     11.75916465    -14.46862098
  O     16.45588384     10.84927323    -14.68979885
  H     15.57137496      2.78638098    -16.04719471
  H     15.77897367      8.42263130    -19.47757914
  O     15.69540643      8.28543778    -18.53775097
  H     20.17201507      6.32629429    -14.38315422
  H     16.59813002      8.18635185    -18.18660513
          69
 Energy    -248.44937471104291     
  O     11.30205861     10.09559428    -11.23739593
  H     10.90670666     10.96336557    -11.22066822
  H     15.31597857      7.90385181    -13.83894188
  O     10.47432393      4.24430838    -11.02068795
  H     11.52856736      9.90733234    -12.16651090
  H     14.07843501      6.52530072    -13.03470597
  O     17.40402911      5.74722027    -12.59899402
  H      9.96910146      4.75805248    -11.66150116
  H     12.53164978      6.59822222    -13.05278829
  O     15.15607472      4.85268880    -15.76494108
  H     11.23157221      3.87569058    -11.49620864
  H     10.25413535      7.24705542     -9.93141189
  O     15.31131653      3.07773024    -11.38533171
  H     17.34918706      4.88881775    -13.03415934
  H     10.31979525      8.57409087    -10.74048025
  O     16.50165011      9.91079291     -9.69058829
  H     16.95510655      5.66475738    -11.74296200
  H     18.44962848      7.21899654    -12.15668658
  O     11.08804735      5.83374274     -8.92449579
  H     15.33220478      5.06175437    -16.67946952
  H     18.61458508      7.88377393    -10.78565419
  O     14.91471379      9.44557486    -13.03240419
  H     15.23165240      5.68706709    -15.26910202
  H     12.79392361      6.34358835     -9.39737037
  O     12.36005712      4.40926125    -15.11227433
  H     15.81321167      3.10771498    -12.20848510
  H     13.43993482      6.53523555    -10.79661156
  O     17.80553555      7.61546039     -9.05486730
  H     15.63402507      3.80982499    -10.84634800
  H     17.09325306      2.60388839    -14.34298009
  O     12.79887387      3.61765046    -12.42947638
  H     16.85424428     10.21882304    -10.53365101
  H     16.12229937      3.77549399    -14.60546741
  O     15.48342706      6.99389337    -14.12033346
  H     15.55036478      9.80186954     -9.82943838
  H     16.75215304      6.18496066     -9.67103219
  O     13.29027692      6.35528575    -12.50546303
  H     10.75000208      5.47001464     -8.11089915
  H     15.26037448      5.91180942     -9.96112183
  O      9.79945625      7.77401602    -10.59948177
  H     10.86600489      5.19845404     -9.63044435
  H     18.00096079      9.52057490    -12.20795474
  O     18.76985816      8.02383320    -11.72815821
  H     14.54904697      9.35273488    -12.14087360
  H     18.11904286     10.98789235    -12.68371682
  O     13.59650683      6.63972994     -9.84269006
  H     15.78123931      9.85735391    -12.92052014
  H      9.28880232      6.79591251    -11.93195791
  O     16.68824358      3.36516078    -13.93357868
  H     13.26927657      4.48688213    -15.42132888
  H      8.16113696      6.18292180    -12.79967802
  O     16.15428029      5.58361642    -10.13373856
  H     12.41867652      3.93641539    -14.27047833
  H     12.98693846      9.66493968    -10.57132530
  O     17.49621868     10.33792029    -12.36984471
  H     18.25027744      7.70624357     -8.21633576
  H     13.78358252      8.41247557    -10.11118969
  O      9.10520133      6.18113842    -12.66604988
  H     17.31174021      8.44257016     -9.20117404
  H     13.07333285      9.48735891    -13.72156920
  O     13.87641649      9.32897650    -10.40836985
  H     12.96260405      4.57248092    -12.45457273
  H     11.82869241      8.62540935    -14.09184615
  O     12.10893806      9.48380775    -13.74725586
  H     13.58973661      3.24462319    -12.01823440
  H     10.45410976      6.61992371    -13.84056587
  O     11.26848730      6.83411165    -14.31557548
  H     16.21964740      6.65270514    -13.59136998
  H     11.57757765      6.01661741    -14.73467683
          69
 Energy    -248.44935869060654     
  O      2.87156879     -1.78618698     -2.78790620
  H      2.60530002     -2.43592563     -2.12740294
  H     -2.06763370     -5.21987042     -1.37772710
  O     -1.48715945     -1.62203215     -1.18326419
  H      2.32944342     -1.95010835     -3.57280082
  H      1.25744154     -0.26308259     -0.44002459
  O     -2.46650460      0.84795143     -5.03300808
  H     -1.24416141     -2.54852929     -1.31169606
  H     -0.03469742     -1.05882332     -0.16828195
  O     -5.11052577      0.44296364     -3.96202561
  H     -2.41850073     -1.53550575     -1.42798195
  H     -5.79063785     -2.42644067     -5.32488244
  O     -2.18407319     -1.14499211     -6.83460078
  H     -3.32324172      0.81039168     -4.59195677
  H     -5.48062477     -1.59372764     -6.57830717
  O      1.97313212      0.65274319     -1.98296427
  H     -1.79225984      0.62430586     -4.37681771
  H     -0.82742475     -0.61458171     -2.57746388
  O     -4.49827462     -2.00489318     -8.16370933
  H     -5.81281624      1.08170642     -3.87406789
  H      0.34445306      0.34301697     -2.88871157
  O      0.97586350     -1.96707836     -4.83762727
  H     -5.41726502     -0.22536540     -4.60087692
  H     -4.85063140     -3.14041088     -1.96412912
  O     -3.32822065     -6.39152033     -4.13539825
  H     -2.31821862     -0.34552358     -6.29925628
  H     -4.47142148     -4.60830730     -1.68384995
  O     -3.99259320     -4.52926372     -7.30876023
  H     -2.97355307     -1.31063942     -7.36219327
  H     -1.36140676     -6.68854041     -6.64904679
  O     -2.67992296     -2.72692464     -4.56379429
  H      2.63279223      1.33773457     -2.04552553
  H     -2.22075644     -6.17286905     -5.46857454
  O     -2.90196806     -5.71661316     -1.38746324
  H      2.39439518     -0.17417990     -2.28084230
  H      1.56158838     -2.50356397     -0.22133564
  O      0.87420281     -0.93213234      0.14040493
  H     -4.30063941     -2.93624935     -7.95560138
  H      2.48180477     -3.70927473      0.08632951
  O     -5.84680856     -1.53479705     -5.68752488
  H     -4.83536819     -1.98593754     -9.05514005
  H     -3.46135356     -1.94187531     -3.14221762
  O     -0.42873168     -0.08296167     -3.28030977
  H      0.92460530     -1.77996590     -5.78563510
  H     -4.40813973     -0.78918056     -2.75253555
  O     -5.19171174     -4.04542043     -1.99213227
  H      0.44211163     -1.30315908     -4.37875304
  H     -4.19891688     -3.66789087     -4.73316841
  O     -1.65673549     -5.89281050     -6.21326051
  H     -3.13504495     -6.27224762     -3.19767675
  H     -5.31060498     -4.16852549     -3.78345572
  O      1.87242326     -3.36275692     -0.56031604
  H     -4.05628251     -5.78784443     -4.32427575
  H     -0.45253284     -4.33877374     -2.54720181
  O     -3.93644080     -1.54904967     -2.39222949
  H     -4.53021152     -4.55306568     -6.50584038
  H      0.28761785     -4.08012131     -1.20019749
  O     -5.04739566     -4.14289902     -4.71600478
  H     -3.14724399     -4.92638826     -7.07006706
  H     -0.62404475     -4.81832048     -5.05839217
  O     -0.57726085     -4.26386707     -1.58782796
  H     -1.90529093     -3.28104394     -4.41408450
  H      0.19053489     -3.54481337     -4.59409433
  O     -0.36615309     -4.28170759     -4.29963246
  H     -2.49973175     -2.18742975     -5.34455975
  H     -0.49116803     -1.36005319     -7.32735285
  O      0.46308360     -1.47373536     -7.47471331
  H     -2.87550935     -6.30800316     -0.63872674
  H      0.69339444     -0.88258889     -8.18668449
          69
 Energy    -248.44934936622900     
  O     20.64408885      8.84453518    -11.52304343
  H     20.72817163      9.19187816    -12.42918677
  H     13.72353014      7.69746602    -14.32316633
  O     17.21263237     11.68910162    -12.32116007
  H     21.50741808      8.90378810    -11.12297468
  H     15.20680332      9.36527865    -13.52673256
  O     16.76450947      7.26855341    -11.58149467
  H     16.52354542     11.13439287    -12.72294700
  H     15.14228535     10.63118407    -14.40019023
  O     14.44678890      7.43341648    -10.00872462
  H     16.74738926     12.47857551    -12.02490651
  H     13.64034834     10.31758698    -16.34474422
  O     19.27476447      6.59646191    -12.68142010
  H     17.20699905      8.08432582    -11.30481973
  H     12.25238581     10.09986884    -16.98946268
  O     12.72461293     12.52766171    -14.46059907
  H     15.98305796      7.18098431    -11.02125370
  H     15.28469601      8.99550148     -9.34076146
  O     17.50361655      8.89990732    -15.68189306
  H     14.00286811      6.77703880     -9.47864445
  H     16.62064368      9.74477138     -9.54095860
  O     18.06101825      9.59442170    -10.72603376
  H     13.76963487      7.83287066    -10.58472636
  H     20.08844641     10.32661674    -14.37597807
  O     15.39799991     10.60779953    -16.34370839
  H     19.80317407      7.23801188    -12.19039396
  H     20.49360982      8.85759746    -14.62939645
  O     19.69091666      7.21815058    -15.28822472
  H     18.39108845      6.63221900    -12.29325177
  H     14.23406956     13.51694766    -14.58631343
  O     16.89075918     12.99019028    -16.31161699
  H     12.58032489     11.77454653    -15.04591701
  H     15.27920266     14.09815827    -13.60311109
  O     12.79438143      7.96425948    -14.28846638
  H     12.62985625     12.18305227    -13.56354454
  H     14.49584969     13.07827710    -12.06945148
  O     15.16498879     10.32939097    -13.48480500
  H     17.87108926      9.71271329    -15.30548419
  H     15.11949843     13.35699431    -10.72775992
  O     12.69515940     10.20147911    -16.14993781
  H     18.22718894      8.26087554    -15.69544235
  H     13.88848304     10.97713457    -12.38456683
  O     15.74666308      9.81779159     -9.13656985
  H     17.84762609     10.38160679    -11.24706222
  H     13.52241649     11.61774452    -10.99966429
  O     20.71992131      9.64288073    -14.11606252
  H     18.98859270      9.38582426    -10.89147072
  H     18.19204854     11.52832961    -13.83982437
  O     15.11317924     13.92366816    -14.53421053
  H     15.86617329     11.44329076    -16.46691478
  H     18.12608441     11.95880797    -15.32253215
  O     15.21216384     13.58185061    -11.66263930
  H     16.07075378      9.91538752    -16.28525865
  H     12.58838581      8.33219715    -12.53689228
  O     13.19220623     11.44186500    -11.89057534
  H     20.11938561      6.49908367    -15.74410981
  H     12.58553397      9.57848979    -11.62747047
  O     18.54749853     11.33494723    -14.71916507
  H     19.52156747      6.91433030    -14.37788028
  H     14.89950660     11.31053699     -9.25351000
  O     12.63444789      8.61795233    -11.61178066
  H     16.27651902     13.39313295    -15.66973192
  H     13.96349219     12.32462208     -8.55687302
  O     14.38179764     12.12430333     -9.38970550
  H     17.07379850     13.65198056    -16.97273744
  H     16.27151451      7.97363747    -14.64465698
  O     15.58232512      7.64492692    -14.05250564
  H     12.69728534      8.68896586    -14.91637879
  H     16.01064680      7.39937659    -13.22052109
          69
 Energy    -248.44918606982310     
  O     12.55941674     12.10405084    -14.06092149
  H     12.67382297     11.41607647    -14.73270596
  H     19.06507922      7.55004263    -14.01219736
  O     14.99045390      6.79092106    -13.61469558
  H     12.08608888     11.67381856    -13.34019175
  H     16.92217995     11.49800627    -16.06095663
  O     17.44542156      9.46216597    -11.11562253
  H     15.68716840      6.13565925    -13.49843251
  H     15.82647718     12.51220365    -15.64204046
  O     17.95455406     10.05431889    -15.45368651
  H     14.58426731      6.94842960    -12.74940371
  H     16.32902057      9.54757765    -14.75078298
  O     13.03758326      7.24402323    -15.58953082
  H     16.93967001     10.15614021    -11.56187409
  H     15.42949364      8.45479772    -14.06538415
  O     15.77915882      9.25995389     -8.91561920
  H     17.03621093      9.38965861    -10.24075215
  H     11.34692427      9.59893588    -12.50875870
  O     13.69476695      7.41405564    -11.25603265
  H     18.05421093      9.31032587    -16.06336298
  H     10.41332261     10.56863634    -11.75099274
  O     15.72173922     11.25648134    -12.35510400
  H     18.49601656      9.86875646    -14.67614303
  H     17.28506833      6.06401452    -11.54792220
  O     15.26870231      7.79343279    -17.44644389
  H     12.99965872      8.21082197    -15.64750693
  H     17.34578949      7.51679022    -11.00062475
  O     15.15103981      6.44087056     -9.05941072
  H     13.70921092      7.01750739    -14.92879279
  H     12.22338807      7.59656738    -12.43539481
  O     17.92935247      7.71464948    -16.99566072
  H     15.54041096      8.33673701     -8.77119887
  H     11.87984468      7.61881939    -13.94121163
  O     18.83866141      6.74632786    -14.49549149
  H     15.01355052      9.65923377     -9.35007150
  H     18.69425650      9.29287764    -12.36283061
  O     16.20953449     12.05571207    -16.40052106
  H     14.05929952      6.97218220    -10.48003350
  H     20.16864592      9.46226558    -12.78172522
  O     15.49652056      9.39302665    -14.28808994
  H     13.75117798      8.36402774    -11.07773863
  H     17.83344528      5.63943473    -13.66666844
  O     11.30062156     10.47617001    -12.08836065
  H     15.58282357     10.56746288    -13.02623983
  H     17.38759638      4.19591691    -13.31784730
  O     17.25587572      6.59204123    -10.74123970
  H     15.57931249     12.09160430    -12.81323340
  H     15.27329180     11.12443688    -17.53652062
  O     11.60063313      7.95365776    -13.08343938
  H     14.50904651      7.47949080    -16.94419253
  H     14.56866210     10.99207930    -18.90887575
  O     19.30874114      9.21131380    -13.11126329
  H     15.05557757      8.68984918    -17.73703123
  H     14.39385104     10.63905231    -11.25797929
  O     17.18813611      5.11406994    -13.15909946
  H     15.23688320      5.74585939     -8.41336670
  H     12.87805963     10.36582426    -11.07491999
  O     14.72220570     10.53729763    -18.08542957
  H     15.95070175      6.41136459     -9.61707309
  H     14.07467716     12.94456022    -14.08772846
  O     13.75010891     10.16167190    -10.71565593
  H     16.96754477      7.67309323    -17.14396233
  H     14.87924677     14.26555577    -14.04299320
  O     14.97441431     13.31959523    -14.11523593
  H     18.34299336      7.48686076    -17.82421503
  H     13.57506256     10.26677691    -16.63757486
  O     13.25184575     10.03365576    -15.75886924
  H     18.54770054      7.02028104    -15.37455809
  H     14.04279165      9.86043797    -15.22221985
          69
 Energy    -248.44916238921940     
  O     -7.57489417     -2.48480139      5.95251094
  H     -8.10355143     -1.75313478      6.29022262
  H     -6.85853268     -1.99841295     -1.21806219
  O    -10.30093897     -2.22872522      2.52920537
  H     -6.65406413     -2.22336818      6.08010233
  H     -4.56174410      0.94702400      1.58658921
  O     -8.21409668     -3.80892236      3.67114558
  H     -9.66706439     -2.84862017      2.90948871
  H     -3.15925150      1.43971791      2.03642909
  O     -5.69089359      1.03978460      0.13782456
  H    -10.41473706     -1.53715168      3.19282115
  H     -7.17348277     -0.57119751      2.92677141
  O     -6.44854401      0.91898377      5.78365144
  H     -8.01138898     -3.36593050      4.51480152
  H     -7.11197162      0.47942034      4.08001515
  O     -4.82902959      5.42914689      1.04860921
  H     -8.24815960     -4.74421371      3.85289827
  H     -4.60222818     -1.45719831      5.30779378
  O    -10.54579054      1.62924670      0.37442138
  H     -6.00074946      0.17365045     -0.14983843
  H     -4.23158002     -1.63769572      6.80156973
  O     -8.82270935     -0.01820398      6.79743801
  H     -6.47315136      1.50841982      0.46572038
  H     -0.93419922      2.69437708      1.47131553
  O     -4.17438788     -1.45061751      3.66743828
  H     -5.92829976      1.63443245      5.38953929
  H     -2.20598123      3.34492433      2.07012736
  O     -4.00879868      3.26097988     -0.38735561
  H     -5.84766282      0.18974660      5.98830480
  H    -11.16065193      1.17528206      3.42388850
  O    -10.11534319      0.00071416      4.28520185
  H     -4.58148209      4.68632441      0.47004497
  H    -11.81530424      2.56605587      3.43237727
  O     -6.90190518     -1.48034158     -0.41923881
  H     -4.82634626      6.21249275      0.50547966
  H     -7.06979533     -2.80225413      2.61360712
  O     -3.95095083      0.97595586      2.33601616
  H    -11.12546105      2.01834187     -0.27510303
  H     -6.59805390     -2.04294063      1.31825349
  O     -7.56617490      0.24521876      3.26154026
  H    -10.99482325      1.70624547      1.23398461
  H     -9.80710565     -1.48836718      0.95800110
  O     -4.94890702     -1.40694216      6.21855021
  H     -8.01167060      0.42577902      6.49377366
  H     -9.88202716     -0.15017209      0.18276725
  O     -1.88624041      2.66126033      1.45339408
  H     -8.97926042      0.27906576      7.69002121
  H     -3.66958836      3.97609728      3.68286162
  O    -11.62493006      1.82110805      2.86727481
  H     -3.96672603     -0.60863550      3.24026618
  H     -3.65150522      4.93886130      2.48036512
  O     -6.46279619     -2.13459615      2.26962901
  H     -4.90542285     -1.82094702      3.15330654
  H     -4.68926484      2.08982332      3.61296370
  O     -9.46537013     -1.01817627      0.18307251
  H     -3.19979014      3.01855056      0.08046618
  H     -5.70057027      3.26333160      3.79958402
  O     -3.07799898      4.46486985      3.09708620
  H     -4.58111616      2.48309252     -0.35418299
  H     -8.81377745      2.04411683      0.92061940
  O     -5.04952794      2.71085950      4.26221731
  H     -9.26143649      0.07059217      3.82985921
  H     -7.84737141      1.47841330      2.00303220
  O     -7.93354004      2.14185982      1.30017580
  H     -9.89619809     -0.01996171      5.22311059
  H     -7.24866137      3.59252786      2.20335524
  O     -6.76042736      4.22248497      2.75081846
  H     -7.84634075     -1.29933186     -0.25070950
  H     -6.19640611      4.72260914      2.14771223
          69
 Energy    -248.44908174748105     
  O     13.29387775     11.82570713    -13.95649861
  H     14.10184757     11.62581378    -14.44419483
  H     16.00121626      6.16524777    -15.26341126
  O     13.59288636      6.09616026    -12.49793024
  H     13.48692527     11.64537652    -13.02619808
  H     15.02971818      6.71849948     -9.82815079
  O     17.51657783      4.35521536    -10.74330610
  H     12.72770989      5.99565472    -12.91314305
  H     14.76066426      5.96375317    -11.15256594
  O     12.45622516      4.04317301    -15.41990742
  H     13.84080970      7.02251053    -12.64780498
  H     14.02960557      9.39668835    -12.56300576
  O     10.98289754     10.52541600    -14.53893231
  H     17.60156465      3.79267494     -9.97766643
  H     15.15668511      8.78006538    -13.43023823
  O     15.04110569      8.73362142    -16.80249828
  H     16.75632403      4.93814910    -10.57767285
  H     16.39249414     11.77412575    -15.59691878
  O     14.27194736      8.12082883     -9.01107825
  H     12.43051302      3.15336716    -15.76209631
  H     16.25632303     10.48485844    -14.75947767
  O     19.22553637      6.34137259    -11.90635419
  H     13.39003297      4.23275089    -15.23871271
  H     10.78018747      7.66585672    -12.98897214
  O     12.62219494      8.41913198    -15.40585649
  H     10.33930670     11.12340032    -14.90873708
  H     10.72478854      9.19904874    -13.16935332
  O     17.23264807      3.64276683    -13.49495946
  H     11.77942987     11.05230128    -14.34690665
  H     15.71960088      4.29234323    -14.18761026
  O     18.92514599      5.65079592    -14.67547447
  H     15.24839248      9.61627345    -16.47578195
  H     14.54374167      5.23742448    -13.79102196
  O     16.60856598      6.86271118    -15.54895115
  H     14.13559024      8.56103526    -16.50953069
  H     11.54230731      5.41539064    -14.61059010
  O     15.43367656      6.12194472    -10.47531595
  H     13.41777314      8.38989940     -9.37206932
  H     11.74180556      6.93915695    -14.71000608
  O     14.24432174      8.65655858    -13.14290435
  H     14.86157053      8.87305486     -9.13880022
  H     11.45057632      8.88474759    -10.97997755
  O     15.75961681     11.12682109    -15.29364137
  H     18.79035256      5.59391042    -11.47525984
  H     11.15427612      9.40285976     -9.55718163
  O     10.71795012      8.49860365    -12.50518988
  H     19.22417188      6.14143020    -12.85086750
  H     17.13506629      8.77719272    -12.97510695
  O     14.99572276      4.82935743    -14.54282675
  H     13.20077814      8.50743101    -14.63234408
  H     16.90525524      8.27453343    -14.43758991
  O     11.34839605      6.24782788    -14.15702928
  H     11.98103692      9.13622404    -15.32505888
  H     13.09143669     10.37345571    -10.89962204
  O     11.86696090      9.20205983    -10.15882033
  H     17.32280087      3.77554767    -12.54313330
  H     14.61012627     10.71402090    -10.86837776
  O     16.90436533      9.05952717    -13.87007541
  H     17.91062040      4.19492655    -13.90377396
  H     16.61233329      9.50663584    -10.37721422
  O     13.80348771     10.80532036    -11.39166044
  H     19.57007721      5.55109559    -15.37162328
  H     16.74197985     10.67446890     -9.37375054
  O     16.10993828     10.18310935     -9.89255010
  H     18.16069846      6.10276116    -15.06944275
  H     16.58815832      7.46453818    -11.06161343
  O     17.26736792      8.11620095    -11.28300611
  H     16.10995229      7.45732189    -16.12889722
  H     18.07765181      7.61113513    -11.44845647
          69
 Energy    -248.44883155433439     
  O     10.73057900      8.73888215    -13.58963657
  H     11.44353183      9.31274354    -13.28612228
  H     16.26685416      6.37081999    -12.96108402
  O     11.16964783      4.70587271     -9.31606629
  H     11.10461762      8.19477633    -14.29305056
  H     14.19603798      6.09779650    -12.75378917
  O     17.16879992      6.32843321    -11.36865163
  H     10.97599024      4.07243945     -8.62904777
  H     12.73893307      5.57565991    -12.80223946
  O     16.01227817      3.66571156    -14.37477726
  H     12.13632985      4.78299808     -9.35632858
  H      9.62232389      7.96922917    -12.49333226
  O     15.29845505     11.46848958    -11.81963127
  H     17.73251797      7.07464343    -11.61484301
  H      8.15238198      7.82992731    -12.03633558
  O     10.53263487      7.50675650     -9.46690953
  H     16.53152128      6.65424606    -10.71701339
  H     17.85754073      9.06636551    -12.83010429
  O     14.36546419      8.46632685    -14.71206519
  H     15.16585714      3.22757565    -14.22321056
  H     19.34785125      8.89707596    -12.45475272
  O     13.48420846      2.52863820    -13.56316143
  H     16.54180451      3.50654563    -13.58263758
  H     12.98322056      7.44067487    -11.26852739
  O     16.82504534      9.73859836    -10.06959871
  H     14.47221869     11.03259132    -12.08892195
  H     12.09009494      8.05724838    -10.15279741
  O     14.72493727      2.73521865    -11.14451465
  H     15.09856640     12.39587689    -11.72094818
  H     18.20228537      3.27603141    -11.54497046
  O     13.89270582      5.01147102     -9.72017187
  H     10.66400377      6.56609739     -9.29584084
  H     17.33871049      4.55457755    -11.60402618
  O     15.69298316      6.30207160    -13.73437951
  H      9.93264733      7.55625124    -10.22283103
  H     14.49138546      7.74993548     -9.86478491
  O     13.39326939      5.98793712    -12.22812880
  H     13.58790407      8.06932482    -15.12073418
  H     15.90949601      8.24893282     -9.55494516
  O      9.03103818      7.49230171    -11.88436501
  H     14.90493478      7.71662905    -14.41404585
  H     15.94611728      9.51569768    -14.27012046
  O     18.46558059      8.64438867    -12.19665551
  H     13.26991190      1.61039505    -13.71013162
  H     16.25898145     10.55910932    -13.17870239
  O     12.90674721      8.18693498    -10.65462809
  H     13.86008438      2.58428501    -12.66653671
  H     10.41273584      4.71561456    -11.09219690
  O     17.34763972      3.60552496    -11.81188103
  H     16.28369929     10.37243766    -10.55642637
  H      9.63301599      5.71859137    -11.96521434
  O     15.35978291      7.45149134     -9.55736096
  H     17.50242282      9.45011738    -10.69236504
  H     13.06816622      9.40751287    -11.90542135
  O     16.66939496      9.92423055    -13.78059138
  H     15.65526124      2.93323764    -11.31183739
  H     13.59759674      9.46675133    -13.37657700
  O     10.06700620      4.85531910    -11.98140621
  H     14.43448056      3.39868163    -10.50618508
  H     11.91755115      6.19112288    -15.07974343
  O     13.16435827      9.98367698    -12.68126713
  H     14.45329319      5.71148244     -9.36721123
  H     11.68576299      6.92229651    -16.41837612
  O     11.99699064      7.05109775    -15.52526578
  H     13.71421522      5.27436261    -10.63929471
  H     12.30881318      3.91563862    -13.99825407
  O     11.75995194      4.70523067    -14.08843249
  H     15.81537270      5.41808373    -14.10967964
  H     11.06489636      4.66600193    -13.41014267
          69
 Energy    -248.44870244241559     
  O     14.77407840     11.12067047    -10.68295332
  H     15.33936045     11.21683566    -11.46293262
  H     19.05609779      9.73659087    -10.98364629
  O     15.04049780      7.29862536    -15.39677938
  H     15.30359585     10.64513872    -10.03425486
  H     15.58892453      8.01643484    -13.77780431
  O     14.87724009      4.93545357    -11.29781512
  H     14.09349351      7.43016854    -15.52347135
  H     16.94559678      7.78896158    -13.07575472
  O     18.86439291      6.58743624    -10.74981849
  H     15.15417906      6.41581047    -15.01650056
  H     13.19766631     10.67334482    -11.27305035
  O     15.06439613     11.41219580    -15.44039257
  H     15.05216292      5.81564438    -10.93182927
  H     11.70680041     11.06538877    -11.36929801
  O     15.17148524      7.55737901    -10.50318296
  H     13.92180941      4.81314874    -11.25414371
  H     13.35663075      4.88798117    -14.27227855
  O     19.27620628      8.98188403    -15.16484567
  H     18.92178633      7.47309877    -10.38116455
  H     12.20547827      5.08874686    -13.26517017
  O     12.22122331      7.54830222    -15.45357712
  H     18.84474463      6.72210308    -11.70896228
  H     12.72072708     10.16825408    -13.47743458
  O     18.48426391      6.90854440    -13.48970190
  H     14.74221373     12.17369389    -15.91424091
  H     12.62294039      9.22635774    -14.70618588
  O     16.81240704      9.29866801    -16.23395122
  H     14.28120689     10.93928042    -15.10248732
  H     16.66344184      4.29707125    -11.18762107
  O     18.00076397      4.17414063    -14.00580911
  H     15.61803890      8.13228382     -9.87387110
  H     18.05263910      4.94867188    -10.97085184
  O     19.04012605      9.41916728    -10.06300803
  H     15.46781247      7.83149840    -11.38555572
  H     15.14646623      4.92765905    -13.12026538
  O     16.09262811      8.23626875    -12.98416631
  H     19.92892683      9.15035675    -15.83854398
  H     16.15568154      4.52163694    -14.21266946
  O     12.34226447     10.41720545    -11.66224160
  H     18.40483692      9.12863600    -15.57631814
  H     12.08184207      6.04428362    -11.20728014
  O     12.43264905      5.15950973    -14.20126375
  H     12.21257673      6.70068005    -14.97446700
  H     11.34993845      4.72706637    -10.85008185
  O     12.96214080     10.07828267    -14.40744077
  H     11.63926858      7.44178610    -16.20173696
  H     18.13998104     10.73548417    -12.73444860
  O     17.60867196      4.16873456    -11.33618598
  H     18.39328849      6.01937467    -13.85298609
  H     19.21970739      9.90470929    -13.44608509
  O     15.26225694      4.85877805    -14.07948010
  H     18.86675072      7.49262855    -14.15624583
  H     12.24063590      8.59225517    -11.15207868
  O     12.03428723      5.09031994    -11.40500829
  H     16.26825534     10.07537634    -16.05750410
  H     13.35920909      7.67698316    -10.63974941
  O     19.01411741     10.33821937    -12.61094965
  H     16.23877786      8.53794456    -16.06700639
  H     16.58344504      9.59692797     -8.03068836
  O     12.41375217      7.69544450    -10.84724767
  H     17.91179035      4.09029760    -13.03684770
  H     17.39581649      9.52260458     -9.34175966
  O     16.49553192      9.53202137     -8.97871536
  H     18.52115306      3.43238533    -14.30032170
  H     16.24730485     10.02561239    -12.97143830
  O     16.34349074     10.99191079    -12.97589538
  H     19.88277720      9.65680828     -9.68405129
  H     15.96509991     11.29430005    -13.80958853
          69
 Energy    -248.44851274719164     
  O     16.52983448     11.65151883    -11.84548611
  H     17.30117200     11.07674558    -11.92104911
  H     13.02898219     11.56662032    -10.22174707
  O     16.46410003      9.02779643     -8.31957043
  H     16.33774975     11.70825294    -10.90169728
  H     14.57239610     10.06949167    -14.64770889
  O     16.45167977      5.96134904    -11.28335147
  H     16.44039217      9.97399056     -8.50484352
  H     15.30695896      8.79283490    -14.22965970
  O     13.09090716      4.39756816    -10.59196602
  H     15.54429353      8.73364765     -8.39041113
  H     17.77213987      7.08062148    -10.52483570
  O     17.18742352      6.39140364     -7.51386676
  H     15.90057374      5.55976551    -11.97379543
  H     17.65751158      8.23281745     -9.49773624
  O     18.56664517      9.69412895    -12.02865811
  H     15.95055578      5.86625315    -10.46359061
  H     14.42168296      6.47343406     -8.79051707
  O     15.98767655     11.72389771     -9.04610857
  H     12.86142618      3.51442513    -10.31383977
  H     15.67036596      5.68636725     -8.34167702
  O     10.27120078      8.89845528    -10.18040797
  H     13.73529613      4.73350892     -9.94665665
  H     11.79931013     10.84900887    -12.33247622
  O     13.78965538      8.61178470    -11.39029447
  H     17.99118609      6.32896016     -8.03305241
  H     13.23038952     11.40805718    -12.66303938
  O     11.71491872      6.75746818    -11.23771678
  H     16.96389138      7.33303753     -7.53836030
  H     11.62439600      7.38519608    -14.27499335
  O     13.26162347      6.83031796    -14.99984974
  H     18.58035407      9.04451966    -11.30373466
  H     11.01473210      7.19465942    -12.88465270
  O     13.30462813     11.66386470     -9.29966450
  H     19.42239056      9.65728497    -12.44758789
  H     10.42182650      9.23241332    -13.23453572
  O     14.67451022      9.14040152    -14.87729457
  H     15.01430746     11.71259632     -9.09992277
  H      9.42438174     10.41428882    -13.27101505
  O     18.26973147      7.79785650    -10.10954306
  H     16.22377556     12.50426830     -8.55087770
  H     11.04842299      9.81718604     -7.25914290
  O     14.89546230      5.63726088     -8.91716243
  H     10.66969997      8.05824165    -10.44905129
  H     11.08700499      9.46860910     -8.76651869
  O     12.65399471     11.09352869    -11.95436674
  H     10.12919287      9.38903847    -10.99696737
  H     13.90294162      4.81325793    -12.35474377
  O     10.86520096      7.63357016    -13.73387631
  H     14.62006464      8.54932435    -11.87619486
  H     14.05407178      5.66729604    -13.64221754
  O     10.20548848     10.09227439    -12.82983671
  H     13.39616827      9.47093708    -11.59214652
  H     14.78353954     12.61578174    -14.27395110
  O     11.63377948      9.74205953     -8.00746290
  H     12.47625861      7.34529763    -11.36364524
  H     15.33094054     11.76607807    -13.10467295
  O     14.53234386      5.09927343    -13.02696339
  H     12.06369706      5.89981861    -10.97276832
  H     13.10806554      8.64132134     -8.31593598
  O     14.63036645     11.81415740    -13.78075478
  H     13.73202267      7.68272555    -14.99929118
  H     13.85789802      8.37460908     -9.64656968
  O     13.85787952      8.17197767     -8.69746490
  H     13.34690658      6.47671289    -15.88221180
  H     16.33266960      7.44254418    -12.31580539
  O     16.21712002      8.28523786    -12.77537598
  H     12.72148479     11.09429115     -8.78507278
  H     17.00494038      8.81069348    -12.59704395
          69
 Energy    -248.44807353018047     
  O      0.54562907      1.13957391      5.05145881
  H      0.91075795      1.29742807      5.91893274
  H     -0.88942885      3.06257169      0.35090774
  O      1.74745352     -2.10685928     -2.07004545
  H     -0.28894374      0.65744954      5.19022939
  H     -3.29664884      2.62466965      4.23581004
  O     -1.85089455     -0.11414224      5.42274110
  H      1.69083209     -2.88767285     -1.50510062
  H     -4.28939369      1.59650930      3.62489913
  O     -0.44035851     -0.63243845     -1.08325929
  H      0.93114985     -1.61205201     -1.91267391
  H      1.54334787      4.00422616      0.54404448
  O      1.56441001     -4.05292172      0.03198434
  H     -2.19191688     -0.96922873      5.14024959
  H      1.15442697      2.51220643      0.69235195
  O      3.10700422     -2.22778375      1.35805143
  H     -2.52233810      0.53197286      5.15511929
  H     -2.36863363      1.66485933     -1.10125349
  O     -3.99279079      3.91702790      1.42399053
  H      0.11218849     -0.06123354     -0.53373424
  H     -3.03176713      1.42355743     -2.47920286
  O     -2.76141884     -2.59186956      4.22528909
  H     -1.18808451     -0.10909620     -1.39547491
  H     -2.42346872      0.98142859      2.89039212
  O     -0.15233828      3.49443020      3.57591598
  H      1.93527837     -4.92634375      0.12579479
  H     -1.45788475     -0.14060198      2.38791787
  O      3.59174198     -0.50820490     -0.90090131
  H      2.11118334     -3.45648954      0.57357885
  H     -0.92445776     -2.18722733     -0.24765823
  O     -5.38497258      1.60818792      2.21254699
  H      3.44095548     -1.65562308      0.65631108
  H     -0.21476637     -3.49756842      0.17655046
  O     -1.73962972      2.62384880      0.23980428
  H      2.75102420     -1.63545209      2.03248628
  H      1.48267103      0.21810423      3.69429282
  O     -3.52257329      1.68676785      4.21176928
  H     -3.61256970      4.20102989      2.26471496
  H      0.91866131     -0.95301291      2.88111919
  O      0.87175825      3.42194186      0.88935809
  H     -3.24670056      3.57769074      0.91448473
  H     -2.69085521      5.11970168      4.53333514
  O     -2.66242876      0.97552804     -1.72272899
  H     -3.08218003     -3.33924996      4.72307516
  H     -1.75715852      4.11171966      3.82038512
  O     -1.95553146      0.63817297      2.11672250
  H     -3.15044875     -2.66742520      3.33513352
  H      2.27308515      0.46869070     -0.05097097
  O     -1.03271421     -2.99394026      0.27721531
  H      0.11325739      2.68852575      4.03535701
  H      1.55878533      0.43676794      1.32963086
  O      1.68041962     -0.35207785      2.94305107
  H      0.24860162      3.46876998      2.69991441
  H     -1.21068246     -2.13885314      3.34691928
  O     -2.68856522      4.36328328      3.95324485
  H      4.36323484     -0.35034521     -1.43741777
  H     -0.71861005     -2.24540744      1.87737149
  O      1.51355991      0.81175792      0.43734314
  H      2.99805687     -1.08213526     -1.41885663
  H     -2.78934172     -3.05075159      1.09153613
  O     -0.57006341     -1.78834624      2.71627363
  H     -5.16272453      0.93336059      1.56146570
  H     -3.91343146     -2.01164120      1.20199509
  O     -3.55704832     -2.80513210      1.62326815
  H     -5.04050192      2.44376135      1.86184900
  H     -3.33382222     -0.00112903      1.09148571
  O     -4.04370281     -0.27741106      0.49122506
  H     -1.78365601      1.94460191      0.93301363
  H     -3.77144210      0.03261918     -0.37843774
          69
 Energy    -248.44797300154536     
  O     -5.98983022      2.95348413      1.33235415
  H     -5.75857564      2.99752497      2.27770683
  H     -3.61191406      5.91097929     -0.28157010
  O     -1.59800480     -1.17452462     -2.16534784
  H     -6.91918779      2.74419726      1.28882921
  H      1.42864509      0.85644780     -1.84140575
  O     -0.55926989      5.91256453      0.73889765
  H     -1.54316122     -0.27116259     -2.52603061
  H      2.29993043      1.78017763     -2.72597778
  O     -2.21063806      3.40250107     -1.39156293
  H     -1.93111194     -1.73001101     -2.86499416
  H     -2.84052736      1.89855907      3.58873407
  O     -0.04260257     -1.07181562      4.19337345
  H     -0.11914955      5.13586543      0.37015128
  H     -3.14106224      0.45357331      4.05880571
  O     -2.25122068      2.86084561      2.17438929
  H     -1.33689377      6.05975638      0.18783499
  H     -2.88353619      4.37412682      2.84335133
  O     -2.82331145     -1.16655948      3.29787057
  H     -1.34134066      3.38574580     -0.96457963
  H     -2.47601669      5.71179036      3.47209052
  O     -1.22807567      1.36694619     -3.06034590
  H     -2.50272907      4.32169330     -1.36683921
  H     -3.34155140      2.31708568     -0.48294568
  O     -2.41713344     -0.68566715      0.49299099
  H      0.35266407     -1.57773999      4.89878996
  H     -4.59013075      2.10606597      0.45377205
  O      0.19687636     -0.64565420      1.43157735
  H     -0.07119007     -0.14815915      4.49461547
  H     -4.61966370      2.50167717      4.26493514
  O     -0.33643955      1.60527302      4.82334501
  H     -2.74977375      2.46377140      1.44916929
  H     -4.62855327      3.99869842      3.90786653
  O     -2.90122171      6.07488905     -0.92810524
  H     -1.32774297      2.60246908      2.07512634
  H      0.84489121      2.94315613     -0.94408749
  O      1.49503979      1.75359394     -2.21577401
  H     -1.91988540     -1.30805499      3.60431094
  H      0.49423416      2.98248945      0.56933063
  O     -3.08787716      1.37116803      4.36397826
  H     -2.77975355     -1.13540068      2.33363691
  H      1.00269151      4.68572082      5.61591963
  O     -3.24513246      5.17526387      3.25860319
  H     -1.69165259      2.09316332     -2.62334951
  H     -0.01388695      4.95488068      4.50034303
  O     -3.75925521      1.71643587      0.15213449
  H     -0.28859437      1.54865407     -2.93384728
  H     -5.27846828      4.70918845      0.96467603
  O     -5.18370903      3.20770671      3.92259125
  H     -2.21237551     -0.97882802     -0.40405575
  H     -4.27606843      5.54444294      1.77999294
  O      0.36557784      3.44353074     -0.27184949
  H     -2.94340834      0.12085709      0.39515863
  H      0.32150801      1.98015548      3.05509744
  O      0.32478699      4.26617362      5.09039705
  H      0.21205937     -0.93968823      2.35056681
  H      0.40911374      1.10351836      1.78622322
  O     -4.75308770      5.51646210      0.93810325
  H     -0.72725691     -0.66243415      1.13798677
  H      0.24263990     -1.03137182     -1.59551819
  O      0.40971199      2.02132198      2.09536276
  H     -0.10217119      2.51870517      5.04026758
  H      0.94275343     -0.76633671     -0.25455128
  O      1.07439832     -0.72705146     -1.21176755
  H     -1.30371430      1.55633755      4.81790771
  H     -0.45129566      7.25563676      3.54318200
  O     -0.64208228      6.32989564      3.41493134
  H     -3.18516767      6.80338011     -1.47312898
  H     -0.58214653      6.16881088      2.45568435
          69
 Ord_Energy   -248.447968    
 O   -1.00644612      -1.03400111       3.17625570    
 H   -1.10018313     -0.821367741       4.11228371    
 H   -1.73648465      -1.63966489       2.97290444    
 O   -6.58147573      -3.32282877       1.28763866    
 H   -7.49686575      -3.37968802       1.58842087    
 H   -6.23373938      -2.46763754       1.58387601    
 O  -0.602128267      -5.06140995       4.16448498    
 H   0.109361418      -5.56036997       4.55631304    
 H  -0.197662324      -4.46028566       3.51332712    
 O   -5.33097029      -1.08361697       2.25860786    
 H   -5.05467987     -0.165965930       2.15504646    
 H   -5.58912754      -1.18431020       3.18818307    
 O   -2.92353392      -5.55445051     -0.174274236    
 H   -2.88515520      -6.44573975     -0.511418045    
 H   -2.90400100      -5.61882401      0.795385301    
 O   -1.71819735     -0.712098777       5.86212683    
 H   -2.52871704     -0.228107348       5.61888838    
 H   -1.35706222     -0.273342907       6.62743902    
 O   -7.66201067      -4.39969873       6.50677538    
 H   -6.72913504      -4.24382877       6.28002977    
 H   -7.68847561      -4.58615255       7.44157410    
 O   -8.61645508      -2.17138934       4.93706083    
 H   -8.44471550      -2.90702987       5.53921223    
 H   -8.85279942      -2.57264566       4.09237814    
 O   0.369013190      -3.31187201       2.32550502    
 H   0.122296453      -2.44204307       2.66925573    
 H   -4.66995090E-02  -3.35989904       1.45475233    
 O   -3.96610022      0.556693614       5.07503510    
 H   -4.02367544      0.972625256       4.20724249    
 H   -4.73297119      -2.96526905E-02   5.14043093    
 O   -1.28358316      -3.25679255       2.13492699E-02
 H   -1.73373306      -4.08115387     -0.204565495    
 H   -1.66952240      -2.56169868     -0.527034998    
 O   -4.66744709      -3.33509707     -0.768035293    
 H   -5.41212797      -3.36893272     -0.153107375    
 H   -4.18259287      -4.15985107     -0.647780836    
 O   -3.03657556      -2.68108821       2.24406052    
 H   -3.81148362      -2.11330056       2.14657998    
 H   -2.57921338      -2.74634647       1.39566672    
 O   -5.99989414      -1.34739888       4.90584040    
 H   -5.62184620      -2.19928694       5.16316032    
 H   -6.96065474      -1.45861948       4.93159485    
 O   -2.45564628      -3.49140358       5.75903463    
 H   -2.15307474      -2.57708859       5.81726027    
 H   -1.78561497      -3.98055100       5.26892710    
 O   -2.91936493      -1.26784396      -1.05537665    
 H   -3.62185335      -1.93786752     -0.974688709    
 H   -3.02026248     -0.871418953      -1.91726351    
 O   -8.18165112      -5.72451544       4.03184938    
 H   -7.27192640      -5.75956583       3.70291090    
 H   -8.11471844      -5.41457319       4.94374275    
 O   -2.09364963      0.525764167       1.07641912    
 H   -2.31779480      -8.78154784E-02  0.367392272    
 H   -1.58123291       3.82186100E-02   1.73612750    
 O   -5.13986254      -3.92029190       5.52044487    
 H   -5.26417542      -4.38268995       4.68062353    
 H   -4.18751431      -3.81757045       5.66523933    
 O   -9.10434246      -3.67239022       2.50366855    
 H   -9.97492409      -3.83423114       2.14955449    
 H   -8.86068344      -4.46065998       3.02184725    
 O   -5.59035683      -5.24404240       3.08724236    
 H   -4.67342758      -5.48322725       2.90379095    
 H   -5.86445999      -4.60156965       2.41728401    
 O   -4.24911833       1.50520623       2.36333060    
 H   -3.44043779       1.24343514       1.88750219    
 H   -4.46834135       2.38673854       2.07506371    
 O   -2.87805533      -5.37702417       2.57221889    
 H   -3.00320148      -4.41265345       2.54650617    
 H   -2.11286759      -5.51288652       3.14237046    
          69
 Energy    -248.44794950371107     
  O     15.54258236     10.12113508    -16.82106312
  H     16.24208852      9.71442242    -16.29177744
  H     16.02670990     11.39458543    -17.88310902
  O     14.36599798     11.72699089    -14.79446251
  H     14.95083297     10.54240291    -16.18362611
  H     16.51653932     12.07836870    -11.07322677
  O     19.86587921      9.74008175    -11.91557608
  H     15.30848979     11.89572195    -14.63384377
  H     16.52188975     10.61136752    -10.59778925
  O     20.34636094     12.44380590    -12.43477112
  H     14.05388654     11.27159132    -14.00413728
  H     19.39076038     16.34586519    -12.81806777
  O     13.96622674     10.36151364    -12.35843373
  H     20.09782257     10.67818399    -11.93119033
  H     20.57324829     16.71110408    -13.74080613
  O     17.63131770      9.08523258    -10.53957028
  H     20.04561188      9.42263524    -12.80781481
  H     21.27180248     12.68224141    -15.23226401
  O     17.48322350      9.31372884    -14.94885816
  H     20.38574041     12.30425428    -13.39087640
  H     19.87666105     12.25415538    -15.78355893
  O     14.79206521     13.87120287    -16.53737073
  H     20.99332924     13.12763581    -12.22220590
  H     16.56854649      8.53665857    -12.00187155
  O     18.51917561     15.55123709    -16.12521615
  H     13.19627750     10.19532340    -11.82097295
  H     15.27489406      8.96457391    -12.72102046
  O     22.09862150     14.59547284    -12.10836986
  H     14.62551261     10.78305388    -11.77721994
  H     15.42157624     15.32971182    -15.84849563
  O     18.33737498     12.85794736    -16.57541691
  H     18.45490676      9.30512164    -11.01029049
  H     15.21426979     16.85002290    -15.68741690
  O     16.29928318     12.19715241    -18.36570796
  H     17.88147489      8.56899737     -9.77817927
  H     20.07916410     16.28509437    -15.88083105
  O     15.93921885     11.35756963    -10.78925933
  H     17.02858418      8.87368824    -14.21275495
  H     21.19206181     17.30436658    -16.22445083
  O     20.33652074     16.53424349    -12.82039461
  H     18.42900444      9.14730768    -14.88108813
  H     18.22552631     15.36911456    -14.19518713
  O     20.61181722     11.97278238    -15.22268005
  H     14.45671181     13.19209495    -15.93597317
  H     16.86011809     15.84576427    -13.76950661
  O     16.05945289      8.41058847    -12.81291983
  H     15.25711347     13.39756089    -17.23627346
  H     21.89534095     14.98827708    -15.26603448
  O     15.82179478     16.14244811    -15.49027684
  H     17.60615155     15.85620746    -16.04522095
  H     22.38167765     14.27159064    -13.99927335
  O     20.94829313     16.62399471    -15.60247152
  H     18.49003093     14.61534077    -16.37194535
  H     20.48715481     10.21084493    -14.93667714
  O     17.70456075     15.55995934    -13.40337181
  H     22.70471835     14.89951457    -11.43860896
  H     20.97796308      8.76121627    -15.14801632
  O     22.25357738     14.15056976    -14.94817230
  H     21.47214698     15.32249919    -12.27514709
  H     17.29149218     12.27882715    -13.45063355
  O     20.31196941      9.28247704    -14.70672072
  H     17.76808223     12.63039339    -17.32005722
  H     17.26278997     11.03079910    -14.42089506
  O     17.07723967     11.97801713    -14.34060867
  H     17.84907166     12.60206722    -15.77513401
  H     17.65587110     14.06190746    -12.31462366
  O     17.73566127     13.18664244    -11.91323683
  H     16.13575638     12.03090812    -19.28958885
  H     18.66911213     12.93820935    -11.97398460
          69
 Ord_Energy   -248.447708    
 O   -2.97448683      -2.87078261       5.62453222    
 H   -2.74082541      -1.95224667       5.51754808    
 H   -2.29238343      -3.26748061       6.19465971    
 O   -9.13606548      -8.33850861       8.29616547    
 H   -9.15854549      -7.40375185       8.01842308    
 H   -10.0158129      -8.56067753       8.58830547    
 O   -3.16325784      -4.32379055       9.46147537    
 H   -3.75300479      -4.26526451       8.69417477    
 H   -3.72552752      -4.21201992       10.2365026    
 O   -3.67611051      -10.2231207       6.01697493    
 H   -3.99443054      -9.81114674       6.83226013    
 H   -4.43860149      -10.2729073       5.42866421    
 O   -7.91790342      -8.93226337       5.76473570    
 H   -7.84270048      -8.01152325       5.47767735    
 H   -8.33883190      -8.90196800       6.63008499    
 O   -4.54782343      -8.65673256       8.14281750    
 H   -5.36383724      -8.45820522       8.62124825    
 H   -3.83842826      -8.17483234       8.59164619    
 O   -1.24166656      -9.29938793       5.33539820    
 H  -0.687021971      -10.0003529       5.00630331    
 H   -2.09205747      -9.70517635       5.58839560    
 O   -4.81831360      -6.73678780       6.17123699    
 H   -4.20262957      -6.94607210       5.45976877    
 H   -4.75651598      -7.44391251       6.82663822    
 O   -6.71137714      -7.68959093       9.56078625    
 H   -6.73099756      -6.73831272       9.38289833    
 H   -7.55122137      -8.04222107       9.24300861    
 O   -7.36372232      -6.25061750       5.18708038    
 H   -7.17609501      -5.92710543       4.29857159    
 H   -6.49647188      -6.43616581       5.57758713    
 O   -4.86900806      -8.06966591       2.83700347    
 H   -5.48557234      -7.33670139       2.72573376    
 H   -5.33288622      -8.77893639       3.30022764    
 O   -4.62928581      -7.12650108       11.4019442    
 H   -5.37695503      -7.48173428       10.9016333    
 H   -3.84653187      -7.28796434       10.8625364    
 O   -6.75417137      -4.88576984       9.15676689    
 H   -6.34629393      -4.62486267       9.99104977    
 H   -6.17007875      -4.56213379       8.45593166    
 O   -2.77970815      -7.16630459       4.26096487    
 H   -3.45132899      -7.53592348       3.66131258    
 H   -2.17445111      -7.88597584       4.47448492    
 O   -5.14814758      -4.46020460       11.4829454    
 H   -5.28382349      -4.12501383       12.3648567    
 H   -4.96356773      -5.41324615       11.5679083    
 O   -1.29375875      -6.90729141       6.79889631    
 H   -1.92803407      -6.63896322       6.12458706    
 H   -1.00424147      -7.77750349       6.49504948    
 O   -4.84647560      -4.21845770       7.25124931    
 H   -4.81092072      -5.09944630       6.84808969    
 H   -4.36185741      -3.62734556       6.66427755    
 O   -5.99572372      -10.1877241       4.35580063    
 H   -6.36690664      -10.9751701       3.96582794    
 H   -6.69926071      -9.78829098       4.89794731    
 O   -2.60157442      -7.06401348       9.30749130    
 H   -2.03944612      -7.10356617       8.52299595    
 H   -2.79055595      -6.12293100       9.43145370    
 O   -8.89430237      -5.75725937       7.50341272    
 H   -8.44522953      -5.79340935       6.64727354    
 H   -8.28819561      -5.30952024       8.10719299    
 O   -6.24986362      -5.53290701       2.71148920    
 H   -6.50568199      -5.10001230       1.90130293    
 H   -5.40679407      -5.13090992       2.98760986    
 O   -1.26632106      -4.08700180       7.37043810    
 H   -1.73787498      -4.07227325       8.21439362    
 H   -1.03531146      -5.01017570       7.21552134    
 O   -3.81015372      -4.62324047       3.54002929    
 H   -3.52015948      -3.96907830       4.18629885    
 H   -3.27950716      -5.41363096       3.70221400    
          69
 Energy    -248.44759251121695     
  O      1.25142198     -1.43690253      0.91732089
  H      0.92946953     -2.26009596      0.53273690
  H     -4.88581670      3.59507645      1.58818648
  O     -0.94573966      0.97284549      2.87308087
  H      1.02585808     -1.46246966      1.85373898
  H     -3.89798517     -1.68745401     -2.51200437
  O      0.13933533     -3.81144799     -0.32401014
  H     -1.45929975      0.39523824      2.28400095
  H     -2.78941282     -2.75827505     -2.53113641
  O      0.39989411      1.25549484     -3.37126294
  H     -0.51746073      1.64254938      2.32546534
  H     -4.78108199     -1.52018305      5.00437581
  O     -5.40518694      0.79161799     -0.33994813
  H      0.71929004     -4.53330520     -0.55276817
  H     -3.49522995     -1.76010854      4.18313314
  O     -3.63123734      1.45987529      3.55656692
  H     -0.19202194     -3.44156821     -1.16090655
  H      1.22977790      0.04757669     -0.11389666
  O     -2.02427905      3.24756602     -0.27152035
  H     -0.45573258      1.68605585     -3.26194591
  H      0.87504838      1.55983491     -0.03089635
  O     -2.26066868      2.46906841     -3.02753906
  H      0.78631079      1.19012111     -2.48741891
  H      0.01855616     -0.36616371      3.50970371
  O     -2.40267917     -0.78465386      1.33765244
  H     -5.11211660      1.54267449      0.19017144
  H      1.13373909     -1.01194501      4.36464214
  O     -0.89405152     -2.58708311     -2.51941820
  H     -5.48837902      0.05496687      0.27979657
  H     -5.01918317     -2.17382001      1.07595556
  O      0.20521451      2.85732206      1.14468145
  H     -3.93091902      0.58291630      3.82159981
  H     -5.02168617     -1.40404109      2.44193661
  O     -4.36031423      2.84660482      1.31539527
  H     -2.66800373      1.40112663      3.49825024
  H     -1.78670584     -0.44974373     -0.24358581
  O     -3.72046315     -2.61600743     -2.31646604
  H     -2.14928696      3.00298654     -1.19564338
  H     -0.60542761      0.15999631     -1.05004986
  O     -4.34358433     -1.28301197      4.19070308
  H     -2.85943694      3.10416698      0.19005628
  H     -2.00315471     -3.16712929      3.24251956
  O      1.04439717      0.83656257     -0.64650414
  H     -2.59243661      3.01380805     -3.73739885
  H     -1.12991636     -2.21355324      4.06928666
  O      0.46233753     -1.20730647      3.71522341
  H     -2.86601318      1.71240193     -2.95406000
  H      0.80951640     -1.19614648     -5.39114777
  O     -5.16177207     -1.31258123      1.49039966
  H     -3.36683513     -0.75606849      1.34948208
  H      0.42103079     -0.35242474     -4.16734720
  O     -1.44550618     -0.30550984     -1.13662173
  H     -2.15730474     -1.71225536      1.45443924
  H     -4.42248772      0.45568094     -1.77798870
  O     -1.98544253     -2.65930969      4.06596847
  H     -1.10042903     -1.78794652     -2.00734942
  H     -2.93669603      0.04521916     -2.00490441
  O      0.40196873     -1.25345443     -4.53156961
  H     -0.42750767     -2.27225448     -3.30635109
  H     -4.23236707     -3.28661866     -0.81333806
  O     -3.77035791      0.24164064     -2.46390390
  H      0.63271752      3.69316468      1.30902436
  H     -5.04692176     -4.40370108     -0.12068719
  O     -4.47162625     -3.66339405      0.05335436
  H     -0.59465154      3.04659125      0.61816477
  H     -1.28264532     -3.74908004      0.84348309
  O     -2.02284558     -3.56642641      1.43638283
  H     -4.13385800      2.35999237      2.12649760
  H     -2.84159549     -3.71938515      0.94647111
          69
 Energy    -248.44746136960163     
  O     14.28084408      7.82647774    -10.48697431
  H     13.98304815      8.69550470    -10.79899257
  H     15.32221116      4.78596394    -16.86064813
  O     12.00729629     10.71634480    -15.02075811
  H     13.67812373      7.18052693    -10.88297475
  H     18.76423521      8.42777910    -14.26108549
  O     15.99280107     11.09459104    -12.90415563
  H     11.93964739     11.31788772    -14.26917341
  H     17.82851740      8.80907060    -15.41660301
  O     14.49990217      4.63394893    -13.36594165
  H     11.98684281      9.82571423    -14.64830076
  H     13.08169318     12.81986060    -13.20549353
  O     18.17965674      6.86682955     -8.52741906
  H     15.20242593     10.68062798    -12.53210119
  H     11.80809814     13.20053892    -12.41081044
  O     14.53714208     13.15049428    -14.12284831
  H     16.65592153     11.11792601    -12.20414274
  H     12.32424119      7.48863889    -13.12190241
  O     16.17646916      7.65514856    -12.59521506
  H     15.37149394      4.58981438    -12.95555406
  H     13.23190554      8.07470734    -14.22767479
  O     13.54655319     10.08448976    -11.88233189
  H     14.66138519      4.75368308    -14.30941680
  H     13.85824128     11.82447802    -17.36953662
  O     18.70737572      8.76446042    -12.39799038
  H     18.67831294      6.72802983     -9.35288275
  H     13.36291580     11.22145581    -16.03479905
  O     17.83597093     10.93127463    -10.79186378
  H     18.76702966      6.65058506     -7.80862916
  H     12.03222501      5.41371131    -11.58163839
  O     17.79072900      5.44913861    -14.98545553
  H     14.45431194     12.79216708    -15.01493580
  H     13.31121082      5.50364441    -12.44587672
  O     15.33871587      5.25997357    -16.03458002
  H     15.17231954     12.57337046    -13.67507631
  H     15.33056777      6.17629955     -9.76151621
  O     18.46441750      8.14173868    -15.13416083
  H     15.68175811      7.66638876    -13.42471527
  H     16.68976533      5.85781818     -9.12827158
  O     12.30894787     12.45751174    -12.73527216
  H     15.54808689      7.74558350    -11.87045525
  H     16.74376804      4.99145662    -11.25082169
  O     12.45435521      8.26515479    -13.67680706
  H     13.15721061      9.47938301    -12.53195978
  H     16.82100403      5.99937096    -12.40004413
  O     14.14563776     11.57166782    -16.49610401
  H     13.08077619     10.92353584    -11.98563530
  H     19.29676461      7.28146240    -11.45114503
  O     12.67948737      6.02694571    -11.92029022
  H     17.80338195      8.41940040    -12.48359402
  H     18.77078875      5.83658139    -11.39391688
  O     15.96672708      5.46582837     -9.63668426
  H     18.62558055      9.57402997    -11.88284318
  H     15.30827332      8.50531426    -15.31877920
  O     17.08250056      5.09689392    -12.15246435
  H     17.38722234     10.30795576    -10.19254603
  H     14.96375916      6.97256599    -15.49610810
  O     19.34480108      6.46222450    -10.93808607
  H     18.23593926     11.60261330    -10.24609672
  H     15.76229830      8.67694002     -9.50397207
  O     14.75648395      7.77628128    -15.00371869
  H     18.09932728      6.36687244    -15.04861045
  H     17.15608167      8.36681883     -8.92108752
  O     16.59266627      9.08529129     -9.23917743
  H     17.80757247      5.19736351    -14.05749385
  H     15.64723150     10.56424143    -15.96536497
  O     16.27815749     10.01731998    -15.48004489
  H     16.26657986      5.27421193    -15.73194979
  H     16.29409158     10.36981397    -14.57777925
          69
 Energy    -248.44741700189871     
  O     10.66242219     11.10386318    -12.02478174
  H     11.40062024     11.13061073    -12.65367772
  H     19.64685047      5.95021265    -15.20066174
  O     14.33541060      6.86122682    -14.99480352
  H     10.13135668     11.87398164    -12.21161552
  H     15.57391764     11.35431234    -15.43425272
  O     16.92057051     11.03693250    -10.73230408
  H     14.92747824      7.44840479    -14.49921888
  H     14.88948947     12.60128025    -16.03627960
  O     17.60184653      8.44770066    -16.64076501
  H     14.63580619      6.87591350    -15.91055147
  H     15.44724380      9.01717645    -12.81898989
  O     12.09929096      8.52333420    -14.96137058
  H     17.51229238     11.05283115    -11.49295195
  H     16.33366177      9.17206959    -14.07967304
  O     15.56433453      6.86941173     -9.50751855
  H     16.03858158     10.82217964    -11.06996228
  H      9.79692958      8.69775601    -10.11968291
  O     13.39094552      5.88336824    -12.56286045
  H     16.81062130      8.09344608    -17.06300398
  H     10.52617396      9.56439531    -11.17370601
  O     14.50377172     10.09192780    -11.71567451
  H     18.05418082      7.69550461    -16.23304736
  H     18.65593477      8.41217109    -10.69961159
  O     15.10557870      7.48466647    -17.64171950
  H     12.87441261      7.94637189    -15.01904953
  H     18.65531918      7.54333002    -11.97086554
  O     15.70065452      4.83905315    -11.26730091
  H     11.47013973      8.05222589    -14.39805644
  H     10.57446543      7.50765678    -12.28567829
  O     17.07757642     10.54315383    -15.04477929
  H     16.22941801      7.55762804     -9.38556944
  H     11.53017594      6.44445222    -12.86357269
  O     18.76551082      6.29973484    -15.30844407
  H     14.73199149      7.31122174     -9.72158724
  H     19.68848826     11.11868775    -12.83018800
  O     14.71097622     11.74367587    -15.65832480
  H     14.11161888      5.39052812    -12.15159684
  H     18.97374297      9.80088421    -12.46097915
  O     15.91766103      8.52159747    -13.50069155
  H     13.69267390      6.10589183    -13.45524835
  H     16.93669889      7.13404017    -13.03449681
  O     10.50958944      8.68748337    -10.75330485
  H     14.03321494      9.38463795    -11.25265870
  H     16.95033912      5.74521657    -12.34591846
  O     19.08561304      8.30281126    -11.55702348
  H     13.90078548     10.45218452    -12.37860343
  H     17.30593365      9.69382074     -9.68723883
  O     10.77048466      6.99948347    -13.08165524
  H     14.53301707      8.26891102    -17.56766122
  H     17.88544960      9.15217166     -8.36005085
  O     18.84787261     10.67043827    -12.88124894
  H     14.91982810      7.08630710    -18.48786239
  H     13.89777583     10.38186241    -16.75560563
  O     17.49825090      6.36812152    -12.83591659
  H     15.69328521      5.52736402    -10.57587099
  H     12.81583338      9.30426027    -16.54774338
  O     17.55085021      8.88053207     -9.21092672
  H     15.81880071      4.00326611    -10.82423536
  H     12.27757220      8.16135299    -10.54384434
  O     13.48075060      9.61969460    -17.17442732
  H     17.75734523     10.65313967    -14.36787740
  H     13.24969323      7.23834968    -11.32796021
  O     13.20606953      7.91661786    -10.63780914
  H     17.36599967      9.86244914    -15.67706514
  H     13.41632456     11.31094979    -14.38353602
  O     12.80030839     10.89803296    -13.76680164
  H     18.34281017      6.22419612    -14.43905162
  H     12.52495155     10.05798114    -14.16691887
          69
 Energy    -248.44717048400463     
  O     17.79723411      8.44861770    -10.44072517
  H     16.99949382      8.78135636    -10.87833925
  H     17.35260816     11.96722283    -10.84669081
  O     14.45147435      8.61426810     -9.42213585
  H     17.70641610      7.49139367    -10.35992140
  H     17.03222583     10.16731708     -7.89883161
  O     21.19733730      3.78297445    -12.32968074
  H     14.67321865      9.39033946     -8.89566513
  H     17.83696934      9.20948988     -8.81602713
  O     21.54399316      7.92941992    -11.29720063
  H     14.88874885      7.86042992     -8.99892818
  H     19.49236338     10.50911113    -12.01378630
  O     20.42250807      6.55928453    -15.42674968
  H     21.48929041      2.87610024    -12.36117531
  H     18.94296904      9.14607873    -11.54119863
  O     22.04987554      8.87971698     -8.69479059
  H     20.46857595      3.86758603    -12.97027276
  H     22.04514292      5.37324156    -13.04058070
  O     15.90376902      6.49770585     -8.29835119
  H     21.83525164      8.29950792    -10.45486602
  H     22.11956667      6.87736792    -12.69980241
  O     20.58292023      6.79402312     -7.80826650
  H     20.90615480      8.55280648    -11.67188260
  H     19.59148391      4.96055227    -14.72226364
  O     18.07914194      7.30796773     -6.54911360
  H     21.11485410      6.49663682    -14.74352287
  H     18.39182028      4.60030765    -13.82659359
  O     17.57180461      5.66810025    -10.39954824
  H     20.86937804      6.61201721    -16.26720342
  H     15.01227858      9.06746578    -11.03643297
  O     15.47515767     11.07995710     -8.21965799
  H     21.53364454      8.15021765     -8.30522219
  H     15.39929894      8.95019268    -12.56747226
  O     16.41928296     11.84022609    -10.64378290
  H     22.87362521      8.91875233     -8.21600651
  H     16.53457772      8.16151868    -14.35136016
  O     17.83961298      9.63976781     -7.94600318
  H     16.38684379      6.04786270     -9.00483565
  H     15.17823295      8.29992496    -15.07314765
  O     19.50656249      9.56592645    -12.21310935
  H     16.56411776      6.67785899     -7.62044916
  H     19.36701436     10.59272877     -8.39479029
  O     22.21078266      6.24293672    -13.42422690
  H     19.73021388      6.86109492     -7.36253539
  H     20.83730318     10.33217758     -8.77985603
  O     19.23635605      4.26598391    -14.15341734
  H     20.46253302      6.21053367     -8.56850523
  H     19.07928082      7.60672169    -14.71834753
  O     15.57210790      9.42310909    -11.74748083
  H     17.97024191      7.42301668     -5.60813138
  H     18.79038273      8.63901677    -13.58537162
  O     15.57380834      8.07304154    -14.23502517
  H     17.99919710      8.19059090     -6.95104895
  H     19.64614167     12.98874024    -11.23365009
  O     20.13482355     10.99119020     -8.82660792
  H     18.52807328      5.53200854    -10.34251485
  H     19.60584617     11.77232046    -10.27697427
  O     18.37444758      8.03192505    -14.21338419
  H     17.32924372      5.58906525    -11.33118249
  H     16.21535420      6.12189335    -13.42394207
  O     19.25814180     12.12584423    -11.11671585
  H     15.78595982     11.43810231     -9.07157691
  H     17.67824081      6.52055130    -13.38488586
  O     17.07595825      5.79893179    -13.14558746
  H     14.95182295     11.76279079     -7.80966827
  H     20.70608687      6.39029520    -10.69319172
  O     20.33549419      5.56726472    -10.34405921
  H     16.11342815     11.09255522    -11.17763388
  H     20.65732209      4.85951211    -10.91561813
          69
 Energy    -248.44716100154699     
  O     14.81185491     13.36138168    -17.13757314
  H     14.53184700     13.72606146    -17.97265976
  H     13.30130039     14.72177904    -14.38713806
  O     17.59301978      9.20172762    -10.89153067
  H     14.44138867     13.93387749    -16.44148253
  H     11.42395817     14.63430451    -12.63306460
  O     16.22210253     16.36123595    -11.31240269
  H     17.00183023      8.66756282    -11.45620305
  H     12.80817296     14.56917263    -11.95662072
  O     14.25028605     10.95106067    -15.82553280
  H     18.19714399      8.59563317    -10.47142112
  H     19.19434020     13.96519117    -13.18809554
  O     15.94864991      7.89259182    -12.52598401
  H     15.37005802     16.04685927    -10.99033167
  H     18.94678784     12.60693231    -12.51404150
  O     16.29466748      7.41487851    -15.32057964
  H     16.89469051     15.85484662    -10.83746224
  H     13.94039931      9.51061726     -9.66448372
  O     15.84203736     12.71216471    -12.74815658
  H     13.85590927     11.25773230    -14.99636568
  H     12.97917838      8.43022121     -9.14302314
  O     13.36055552      8.99741147    -12.62254427
  H     14.36732054     11.72901178    -16.38347995
  H     17.44512492     11.84382793    -16.05340557
  O     16.90061795     10.17387537    -15.31518835
  H     16.14641754      7.63538250    -13.43299864
  H     16.62383961     13.00736738    -16.64775625
  O     18.81621591     14.66503836    -14.90909821
  H     15.05495533      8.26224398    -12.53606889
  H     13.78569704      9.13157767    -15.67789897
  O     13.37683184     11.72415938    -13.30787129
  H     15.34367313      7.62111845    -15.38824288
  H     13.44482177      8.34561966    -14.40160155
  O     13.90746231     14.89851197    -15.11311037
  H     16.44074257      6.62114467    -15.82699596
  H     16.22087270     10.01127441     -9.85043814
  O     12.31387093     14.30820305    -12.74867525
  H     16.62303202     12.15153790    -12.84466033
  H     15.53200336     11.34674358     -9.50212012
  O     19.21559322     13.51832680    -12.33358871
  H     16.02538651     13.56444113    -13.16387485
  H     18.54881341     14.22327885    -10.89717285
  O     13.13726233      9.00836210     -9.88441439
  H     13.30777621      9.94090679    -12.82508926
  H     18.83930041     14.80573292     -9.49498402
  O     17.49833663     12.77124135    -16.31449053
  H     13.17284207      8.91649248    -11.67615260
  H     17.72509106     10.65981013    -13.75509244
  O     13.71402456      8.23445074    -15.32406348
  H     15.98418207     10.46089724    -15.44052299
  H     17.94709159     10.40515855    -12.22617211
  O     15.45936663     10.39088300     -9.39537956
  H     16.88017175      9.21249661    -15.38948586
  H     13.37674180     15.26253277     -9.59544137
  O     18.13292350     14.60510166    -10.10270731
  H     18.39778463     13.96132885    -15.43856888
  H     14.40235653     14.28654521    -10.20989210
  O     18.04491117     11.05676618    -12.93292109
  H     19.42845267     15.11494997    -15.48459095
  H     16.58437570     13.58669885     -9.88880814
  O     13.76304936     14.98750173    -10.42404071
  H     12.82050739     12.48952220    -13.13289679
  H     15.74362879     12.92165216    -10.99679968
  O     15.74472502     13.13773863    -10.05021205
  H     14.28056889     12.01135999    -13.09919489
  H     16.33625914     15.76413808    -12.99440133
  O     16.30307325     15.26283469    -13.82206197
  H     14.74973823     15.14075275    -14.69808812
  H     17.19294064     15.20888998    -14.18945506
          69
 Energy    -248.44704379938347     
  O     15.27132419      9.91145100     -9.60466538
  H     15.49152628     10.75001643    -10.03908970
  H     14.27795998      6.84345825    -11.98909974
  O     17.34740730     11.95270622    -13.28297288
  H     15.82963440      9.22300568     -9.98615889
  H     11.30027480      7.63678667     -9.43947005
  O     10.73234302     11.70923068    -13.96362048
  H     17.51010904     11.00246907    -13.13805025
  H     12.58677302      7.46312747     -8.60040093
  O      9.79303998      9.45903884    -12.81065136
  H     18.18644793     12.34423502    -13.50911909
  H     14.75775154     12.40544131    -11.50760328
  O     13.20125799     12.14485582    -12.69361075
  H     10.36439471     10.91150855    -13.54203968
  H     16.25905305     12.20742237    -11.76113848
  O     14.95768729     11.33838832    -14.71655447
  H      9.99274562     12.26676300    -14.18953777
  H     11.84013136     10.93425290    -15.29760543
  O     14.56737185      4.70399766    -14.06969028
  H     10.12283940      8.65283920    -13.23230712
  H     13.33692844     10.88834665    -15.65918211
  O     17.57257309      9.27767243    -12.92735970
  H      9.85400051      9.31250009    -11.85995680
  H     17.36640439      7.25187499    -10.05709738
  O     13.34170853      8.16927779    -12.65270583
  H     12.32080861     12.14698315    -13.09071343
  H     16.13354233      7.10438992    -10.97481463
  O     11.84774169      4.79092607    -13.15695979
  H     13.80954680     11.86731293    -13.39420434
  H     12.38023188      5.55201878     -9.93724112
  O     10.37612732      9.20435991    -10.02756808
  H     15.77430856     11.72305689    -14.37753628
  H     12.54114669      4.01821620     -9.82481536
  O     14.80353724      6.10054267    -11.64852013
  H     15.10509581     10.37935484    -14.70644005
  H     13.68025320      6.99172233    -16.34681673
  O     11.93653833      6.98232835     -9.13155493
  H     14.78626582      5.17856036    -13.25239285
  H     14.49222788      5.94121510    -15.54285338
  O     15.59232427     12.21648571    -11.06247770
  H     15.18940769      3.98331123    -14.14182291
  H     11.57924491      7.89934064    -17.37461701
  O     12.47721253     10.51753722    -15.89081416
  H     16.88426673      8.97675190    -13.53977154
  H     12.21421402      8.85260837    -16.33630093
  O     16.78372704      7.74020245    -10.63431574
  H     17.43490511      8.77073451    -12.12055441
  H     11.21821191      6.36109074    -13.73370225
  O     12.70002982      4.75765593    -10.40464503
  H     13.10343745      8.85661700    -12.01985900
  H     11.32481441      7.40911314    -14.89895840
  O     14.57271911      6.66209899    -16.17943452
  H     12.53488925      7.88793176    -13.10398800
  H     13.94803411      8.82022572     -6.83329778
  O     12.02655720      7.91686015    -16.53233128
  H     12.70232529      4.63542779    -13.57751393
  H     14.38281930      9.02413284     -8.29058262
  O     11.06790360      7.28695237    -13.97601714
  H     12.01558200      4.74150523    -12.20769030
  H     14.65137279      8.51879572    -13.82469375
  O     13.82927671      8.47461380     -7.71478250
  H      9.97381843      9.75834555     -9.36268067
  H     15.22681286      7.98393614    -15.16170915
  O     15.36586593      8.64027369    -14.46629261
  H     11.23016354      9.61525683    -10.25416550
  H     13.60895682     10.08739924    -10.32946633
  O     12.77952816     10.18634195    -10.81467969
  H     14.19345169      5.56145272    -11.12784788
  H     12.89411035     10.91043512    -11.44634037
          69
 Ord_Energy   -248.446121    
 O   -5.41120481     -0.483914018       1.86982858    
 H   -5.01701069      -1.34744859       1.95307481    
 H   -6.16957664     -0.458634883       2.48319936    
 O   -4.42554808       2.95353961      -1.34585667    
 H   -5.00220680       2.26273608     -0.980283082    
 H   -3.93341446       2.55163217      -2.05748677    
 O   -9.28107834       4.26587248      -1.07384896    
 H   -9.65943813       4.56203508      -1.89816618    
 H   -8.32522774       4.44181490      -1.12451255    
 O   -4.55058289       2.69485950       7.20541096    
 H   -5.16916704       3.31510019       7.61172819    
 H   -3.86424112       3.23846173       6.79975033    
 O   -6.59634638       4.66234255     -0.866558969    
 H   -6.60798645       4.39116335       6.67519122E-02
 H   -5.86424160       4.17511797      -1.26333475    
 O   -6.66092443       3.43556333       1.60456920    
 H   -7.46364594       3.53815055       2.13037038    
 H   -5.98093128       3.05529785       2.17446136    
 O   -7.44908857     -0.184946850       3.60355830    
 H   -7.14508915      0.370968908       4.33429766    
 H   -8.26908875      0.204400897       3.27734947    
 O   -4.76946306       6.33461285       6.63021183    
 H   -5.18032312       6.36495876       5.75485277    
 H   -3.95728993       5.82748461       6.50407219    
 O   -3.56319857       4.42556953       3.29848266    
 H   -3.37941432       4.67152405       2.37964916    
 H   -3.87946534       3.51072454       3.27408481    
 O   -5.87036514       5.84669399       4.09294653    
 H   -5.09626055       5.41039371       3.71330285    
 H   -6.27713633       6.39454699       3.41089606    
 O   -6.46540976       4.71952343       7.99762297    
 H   -5.87028360       5.37777615       7.59443521    
 H   -6.71345139       5.05850697       8.85317039    
 O   -4.78888798       1.99322665       3.12849641    
 H   -5.28805256       1.86540830       3.94893408    
 H   -4.80517244       1.15096235       2.66159511    
 O   -9.12297249       1.58255947      -6.66904077E-02
 H   -8.21120453       1.34202945     -0.271475941    
 H   -9.25692558       2.46909690     -0.424471676    
 O   -6.28124380       1.28329420     -0.113148279    
 H   -5.97621679      0.565792978      0.457383573    
 H   -6.50301218       2.02184105      0.476791263    
 O   -2.70109272       4.51299524       5.90443039    
 H   -1.74886620       4.53513384       5.95691204    
 H   -2.92576241       4.51480913       4.95850801    
 O   -6.33394384       1.68553782       5.38706446    
 H   -6.86943245       2.49006438       5.37366152    
 H   -5.66111565       1.84030235       6.06663275    
 O   -3.34935188       4.94088030      0.635411143    
 H   -3.90867233       5.71074247      0.451654375    
 H   -3.59841800       4.26778460      -4.46675019E-03
 O   -9.00111198       3.68529367       3.14790297    
 H   -8.67083549       3.82032633       4.04664087    
 H   -9.34430027       2.78676796       3.07028389    
 O   -7.59476757       4.17847919       5.46429634    
 H   -7.00608730       4.76377153       4.96149206    
 H   -7.39856243       4.33760166       6.39532804    
 O   -9.77515888       1.06519902       2.51941562    
 H   -10.6349106      0.654149115       2.56057119    
 H   -9.57934284       1.21360576       1.57670188    
 O   -9.24793243       5.80164051       1.37791753    
 H   -9.38045692       5.35996675      0.532564819    
 H   -9.30200481       5.10501432       2.04822898    
 O   -5.24010468       6.93305492      0.122655801    
 H   -5.82728577       7.21087170      0.835579753    
 H   -5.75998688       6.29759455     -0.386586756    
 O   -7.19093275       7.39967346       2.16464877    
 H   -7.93833017       6.86120605       1.85058248    
 H   -7.54096079       8.26678658       2.35419607    
          69
 Energy    -248.44596848373232     
  O      2.35114035     -0.98268147      2.36768807
  H      3.08527780     -1.55487543      2.57124591
  H     -1.17355717      0.26192038      5.40600529
  O     -3.30220997     -0.01046555     -3.42559216
  H      2.23316247     -1.02962817      1.40282015
  H     -0.05913140      3.48231194      0.91092580
  O     -4.62908487      0.20723611     -0.91748324
  H     -2.42832660      0.22203648     -3.06963704
  H      0.87177091      2.40417281      1.49271421
  O     -2.85882287     -2.73041492     -2.48066174
  H     -3.32752951      0.31274293     -4.32273675
  H     -1.90590397      1.52652453     -0.95081835
  O     -0.60282600     -2.05623856     -1.03536672
  H     -4.45969970     -0.68672859     -0.58212592
  H     -3.35995235      1.40216967     -0.44508072
  O     -2.30233945      3.01560860      3.94684087
  H     -4.37712751      0.18982987     -1.84864275
  H     -1.87613271      0.86974970      1.06023541
  O     -4.56204151     -2.16696349      3.89520780
  H     -3.41822634     -2.75258814     -1.69124115
  H     -0.78694372      0.61535744      2.15619049
  O      0.78369441      1.18871785      2.81816075
  H     -3.10146094     -1.92299963     -2.94749674
  H     -4.94363854     -2.52341693      0.56963839
  O     -0.92493052      0.50073759     -2.09163781
  H     -0.90712941     -2.25863933     -0.14024279
  H     -3.38943046     -2.44506430      0.56267690
  O     -3.79794297      0.59666749      3.49376680
  H     -1.26908139     -2.42464558     -1.63349438
  H      1.86408010     -0.09972057     -0.73448630
  O     -1.89385943      4.01199897      1.28408340
  H     -2.97927120      2.33649854      3.83943154
  H      1.12835177     -1.45374539     -0.63465767
  O     -1.80612976     -0.45573887      5.28634757
  H     -2.15581888      3.39404219      3.07113799
  H     -0.95895150      2.39161884      4.87523438
  O      0.75141724      2.99423661      0.73376200
  H     -4.36595400     -1.22292562      3.85048293
  H      0.03949798      2.46566773      6.05666792
  O     -2.53453896      1.88811501     -0.31104756
  H     -3.71374802     -2.59950378      4.04611433
  H      1.26917929      2.18120467     -0.69817505
  O     -1.63651694      0.31153942      1.80899316
  H      0.60255261      1.40295054      3.74033845
  H      2.23284025      2.12939193     -1.90844636
  O     -4.17605465     -2.38078856      0.00261056
  H      1.37725551      0.42371611      2.77424837
  H     -1.42635188     -3.60848504      4.81921716
  O      1.90791841     -0.97227003     -0.32775199
  H     -0.06715975      0.94021282     -2.03076295
  H     -1.72426023     -2.10059472      4.65316691
  O     -0.23172237      1.92109460      5.32296785
  H     -0.81854836     -0.37685480     -1.69415254
  H     -1.73454258     -2.74488483      2.35862316
  O      1.51830052      1.66220009     -1.48446588
  H     -4.56972662      0.64967486      2.91013045
  H     -1.71387804     -1.41475008      1.58098177
  O     -1.83886830     -2.97455798      4.23883321
  H     -3.02547990      0.46140401      2.92127473
  H     -7.05976633     -2.96503285      2.07301249
  O     -1.79604424     -2.37583788      1.47112363
  H     -2.19721078      3.31518849      0.67721046
  H     -5.71416777     -2.44034556      2.63313185
  O     -6.29453592     -2.44272723      1.84988806
  H     -2.29155602      4.82663744      0.98560100
  H     -5.56495440      0.50588662      0.73728581
  O     -5.83990746      0.40512709      1.65699218
  H     -2.58320318     -0.04590512      4.88712960
  H     -6.16619963     -0.50101525      1.72374176
          69
 Energy    -248.44589889268042     
  O     14.19196358      9.65380344    -10.67249028
  H     13.98073873     10.18787978    -11.45206678
  H     17.60114109      4.94833415    -11.40009920
  O     13.80770065     10.77595273    -16.55831272
  H     15.04803618      9.95784796    -10.34833441
  H     12.11564946      7.41200601    -10.95758970
  O     16.72573134     10.59239219    -12.93366282
  H     13.71195381     11.60112941    -16.06584011
  H     12.97883277      8.42696152    -10.18702472
  O     12.90358487      4.87474546    -13.19864051
  H     13.35481042     10.10123469    -16.03785305
  H     18.53823430      7.52522021    -14.46366055
  O     16.92562316      7.76649051     -9.07388527
  H     15.76181692     10.64793181    -13.00393367
  H     18.45170639      5.99166737    -14.23391757
  O     16.64198294     12.62274040    -14.92609605
  H     16.92315573     10.48193267    -11.99708506
  H     14.93853894     13.03602140    -14.87145915
  O     15.20632714      7.34754659    -12.08101894
  H     13.44112705      4.68604451    -12.41694601
  H     13.72289152     13.99686397    -14.87851346
  O     13.91570327     10.89370658    -13.08309547
  H     13.47458224      4.72442452    -13.96132938
  H     13.68245622      8.32031942    -14.79890981
  O     17.84650451      6.70637696    -11.46985230
  H     16.11631713      7.26803546     -8.91426948
  H     12.32507610      8.33068556    -14.05626572
  O     17.41707912      4.43923355    -14.32416682
  H     17.39128145      7.31939274     -9.79585127
  H     16.64821989     10.82565890    -18.00994103
  O     14.74961204      4.77564839    -15.36594060
  H     16.73644376     12.07253808    -15.71435577
  H     15.52581320     10.69013168    -16.95351271
  O     17.30970268      4.02080375    -11.44451988
  H     16.85235029     12.04710200    -14.17912479
  H     10.58093555      6.96357224    -12.87038223
  O     12.50275062      7.58741036    -10.09311538
  H     14.87557976      6.50846356    -11.73398844
  H     11.98236251      6.32137140    -12.97645062
  O     18.91866684      6.79544546    -13.96060190
  H     14.81572629      8.06457287    -11.56916862
  H     13.68394266      6.73279197     -9.13271302
  O     13.96543042     13.07628256    -14.83813825
  H     13.52158876     10.19451665    -13.62441980
  H     14.13079615      6.06931370     -7.80937634
  O     12.88576781      8.85089494    -14.64473302
  H     13.82825707     11.71773254    -13.57597773
  H     15.53272616      4.38871841    -11.14109436
  O     16.49089189     10.73400596    -17.07399374
  H     16.95695367      7.01060424    -11.70327537
  H     14.58948873      5.12741605    -10.14121937
  O     11.51314927      7.15873991    -12.80727665
  H     18.37727249      6.79618364    -12.27594385
  H     16.01095862      7.89178004    -15.03104563
  O     14.42524733      6.27846886     -8.69224024
  H     16.52222743      4.43267336    -14.68220728
  H     15.20334773      7.34396456    -13.82996381
  O     14.65302520      4.77595406    -11.03871315
  H     17.33852283      4.14226977    -13.41056484
  H     16.94953643      9.40378774     -9.66897981
  O     15.21472905      7.39767428    -14.79917819
  H     14.58201850      4.61978186    -16.29228487
  H     17.29242478     10.89871257     -9.47994583
  O     16.86631577     10.28575462    -10.07337446
  H     14.91758997      5.72940506    -15.26696156
  H     17.24933873      9.54161626    -15.85421900
  O     17.45605878      8.97566435    -15.10027898
  H     17.99404583      3.49609703    -11.03699503
  H     17.29703775      9.50454502    -14.30430915
          69
 Energy    -248.44586522215664     
  O     -7.54515106     -2.47993150      6.17550269
  H     -8.14991724     -1.73513086      6.34507320
  H     -7.79097194     -1.83150074     -1.23747493
  O     -9.06339542     -1.53943550      1.74938956
  H     -7.84723957     -3.20613269      6.71422517
  H     -3.06362015      1.03665691      1.78280852
  O     -6.92402960     -2.23861047      3.44433469
  H     -8.33279856     -1.94470784      2.23954665
  H     -4.47518771      0.53333709      1.37452012
  O     -5.64299626      0.67792452      0.01797071
  H     -9.58338756     -1.09050002      2.42890269
  H     -7.07919233     -0.40257487      3.56347253
  O     -5.83308512      1.53364656      5.87376172
  H     -7.16835972     -2.43536117      4.35980333
  H     -6.77911720      0.87692672      4.40834834
  O     -4.88240658      5.28505653      0.67314495
  H     -5.95945762     -2.20411081      3.40790418
  H     -5.87020753     -1.60760885      6.33608933
  O     -9.90341210      1.14284458      0.64468082
  H     -6.13298886     -0.10715844     -0.25761602
  H     -4.66780770     -1.30329683      5.41929209
  O     -9.21159600     -0.37679724      6.50647220
  H     -6.29132937      1.25354233      0.45325227
  H     -0.91436119      2.30159777      0.92297572
  O     -4.15592092     -1.71740988      3.59598503
  H     -6.62458936      1.79526730      6.35865096
  H     -2.07600757      3.07559129      1.59173869
  O     -4.11661946      2.97262889     -0.56646924
  H     -5.54773513      0.65515732      6.16685564
  H     -9.50012046      3.30652347      3.82078378
  O    -10.01299806      0.07933866      3.88681777
  H     -4.90081477      5.99452732      0.03630208
  H     -8.10316115      3.97881951      3.86507562
  O     -7.35592661     -1.44714427     -0.47957818
  H     -4.66883856      4.47368831      0.17856911
  H    -10.63444270      2.07603914      1.95605723
  O     -3.84064736      0.56308314      2.10648588
  H     -9.03433265      1.55794529      0.76225791
  H    -11.76989771      2.91097532      2.59098599
  O     -7.27156453      0.53922247      3.65124542
  H     -9.74846047      0.20487416      0.78853647
  H     -8.59240444      2.94601208      7.48776094
  O     -5.07803204     -1.06084177      6.25845875
  H     -8.93902425      0.52314850      6.72085621
  H     -8.53626047      2.80281787      5.94985278
  O     -1.85325225      2.27416391      1.08411339
  H     -9.68335608     -0.30470314      5.66469106
  H     -3.40905053      4.88989408      1.89522510
  O     -8.79748690      3.59582565      4.41484350
  H     -4.01254781     -0.90285174      3.08545778
  H     -3.32806486      3.93334527      3.09556964
  O    -10.92530810      2.50961989      2.77765704
  H     -3.41244632     -2.28664737      3.41202778
  H     -4.91107124      2.40460965      4.63813405
  O     -8.35268543      2.34278030      6.78908780
  H     -4.65815368      2.17259359     -0.54886516
  H     -4.38811969      1.98262447      3.23937001
  O     -2.78326525      4.42027906      2.45975463
  H     -3.27578416      2.72335648     -0.16474362
  H     -7.41383991      1.54120109      2.20751425
  O     -4.56333174      2.74713478      3.80269900
  H    -10.49177563      0.86976745      3.61141742
  H     -7.21325755      3.00175408      1.75168399
  O     -7.45798263      2.12538340      1.43360170
  H     -9.07228895      0.31771381      3.85428561
  H     -6.10020906      4.85997445      2.05893461
  O     -6.56779469      4.38295512      2.75600209
  H     -7.99191442     -1.51101938      0.24837180
  H     -5.89541742      3.83464512      3.18916093
          69
 Energy    -248.44548597208183     
  O      5.17033454      0.33255521     -0.66875138
  H      4.84484780      1.12219158     -0.21596675
  H     -1.09252258     -1.66997775      4.82430023
  O      5.31374179     -0.07464117      6.04166343
  H      4.39309516     -0.20841841     -0.85443658
  H      6.65283247      2.62880738      3.65194523
  O      7.84589124      2.99340316      4.91619632
  H      5.75753268     -0.26222060      5.20216227
  H      5.13585492      2.90276493      3.61334993
  O      2.37485485      4.41216034      1.87036859
  H      4.89180986     -0.89022408      6.33931690
  H      3.86861397     -3.04015252      7.22352594
  O      6.78514678     -1.25289470      0.82516517
  H      8.73549643      3.10525569      5.23820126
  H      2.94610778     -1.86844476      6.81370131
  O      4.11128631      2.33938674      0.99638494
  H      7.28939097      2.85275913      5.70197014
  H      2.57340863      0.36494216      4.30342872
  O      5.98329695     -0.37224620      3.36427525
  H      1.62427267      3.81242416      2.04487006
  H      3.84441275      0.64955027      5.17513424
  O      4.04924771     -2.36535886      3.74520106
  H      2.01432163      5.20301484      1.48047385
  H      3.64926673      4.01424375      6.05998206
  O      1.70813636      1.88194794      7.00774166
  H      6.27713814     -0.64318044      0.25968092
  H      3.65366131      4.90893778      7.31885510
  O      2.89932255     -1.43093307     -0.71681049
  H      7.63128288     -1.37977722      0.40490556
  H      2.17110505     -0.16122248      0.41561097
  O      1.52745966     -0.94054097      7.18780023
  H      3.57128547      3.12641062      1.13891644
  H      2.74494107      1.08882794      1.12576643
  O     -0.40649431     -1.07431850      5.11349927
  H      4.79885040      2.35346455      1.67739002
  H      3.29640430      2.76293410      4.37135999
  O      5.84054967      2.40965309      3.17197857
  H      6.37724560     -0.68833177      2.54202229
  H      3.16317938      4.06070704      3.51668495
  O      3.75491874     -2.35454648      6.57066140
  H      5.89578200      0.58802453      3.27760154
  H      5.30913214     -2.48113647      0.91259401
  O      3.07241749      1.05277880      4.75718060
  H      4.70149960     -1.66008068      3.61489003
  H      4.24082402     -2.90399910      1.93617190
  O      3.66683197      3.99889278      7.03224732
  H      3.97284774     -2.50804304      4.69668433
  H      0.23865465      2.00246696      5.71987724
  O      1.99247045      0.48095797      1.11424291
  H      2.13140510      1.53539045      6.20541269
  H     -0.48946024      0.85258377      5.01699871
  O      3.59297160      3.68521128      4.29414479
  H      2.25581114      2.63116780      7.26392706
  H      2.46016421     -1.57477975      3.45131177
  O      4.43626126     -2.88709850      0.99087398
  H      2.54062336     -1.97995485     -1.40851155
  H      1.74862809     -0.51535805      2.54966720
  O     -0.28283161      1.79137152      4.93645434
  H      3.39290275     -2.01836308     -0.11653057
  H      0.19077501      2.32331729      3.25563463
  O      1.68591935     -0.99988777      3.38510058
  H      1.56877042      0.00787030      7.36502136
  H      0.79933298      1.78551447      1.92360801
  O      0.49617930      2.58197505      2.37424364
  H      0.78364805     -1.05968022      6.58349016
  H      5.30792510      2.96622002      7.10973064
  O      6.11486349      2.45791026      6.97283120
  H      0.29725178     -1.10527797      4.44099262
  H      5.83845286      1.55211458      6.77691653
          69
 Ord_Energy   -248.445328    
 O   -2.33844566       2.02273536       3.04514861    
 H   -1.85623562       1.47924113       3.68079185    
 H   -1.78238142       2.79744673       2.90199447    
 O    2.79893494      -4.03912449       1.18872809    
 H    3.07292676      -4.94238806       1.05433774    
 H    3.57592106      -3.47723937       1.01463270    
 O  -0.310355753       4.03659010       2.81389976    
 H  -0.230195403       4.86068106       3.28896785    
 H   0.413110167       3.46753407       3.12087345    
 O    4.75229502      -2.20950913      0.737222314    
 H    4.51190567      -1.66785753      -2.53121499E-02
 H    4.66189671      -1.63867521       1.51209414    
 O    3.45938468     -0.487072140      -1.14426899    
 H    3.08581543      -3.68954986E-02  -1.91498888    
 H    3.34105396      0.127466515     -0.409439743    
 O    1.40017438      -2.33272934     -0.612409174    
 H    2.14311361      -1.79547596     -0.919962645    
 H    1.76782107      -2.99077225      -1.13412701E-02
 O  -0.435298294       3.82135320      -5.65069504E-02
 H   0.459029019       3.65557694     -0.391715795    
 H  -0.355354548       3.98751521      0.888538122    
 O    2.05670452      0.974314630      -3.04729629    
 H    2.21975327       1.22247171      -3.95340824    
 H    1.14657021      0.627371728      -3.01308775    
 O    1.80023491      -2.50851512       3.33188939    
 H   0.907374859      -2.25170612       3.06040072    
 H    2.10385084      -3.16775894       2.69562316    
 O   -3.66762686      0.757124782       1.06782877    
 H   -3.21000504       1.21033871       1.79938018    
 H   -4.53320837       1.15242231       1.00070024    
 O    3.83292770     -0.632247984       2.91479921    
 H    3.91971660     -0.113971762       3.72306609    
 H    3.12143040      -1.27129006       3.07259607    
 O  -0.473167866       6.59072325E-02  -2.84944701    
 H  -0.954623103      0.670730591      -2.26806998    
 H  -0.763834238     -0.816410244      -2.58360076    
 O    2.73214221       1.14642930       1.12535596    
 H    3.18446398      0.536532223       1.72625768    
 H    1.86003959      0.767025173      0.916325092    
 O   -1.23601043      -2.32740569      -1.59343934    
 H  -0.336193323      -2.51696420      -1.29373336    
 H   -1.76452458      -2.20580292     -0.797796547    
 O    1.63564777       2.18953848       3.52495432    
 H    2.28367615       1.91213048       4.18496084    
 H    2.00582457       1.94947243       2.66568422    
 O   -1.60209751       1.48785627     -0.760657072    
 H   -2.38296008       1.31274557     -0.227145642    
 H   -1.27493691       2.37500882     -0.539911568    
 O    1.61710393     -0.995603323       5.75016308    
 H   0.792735577     -0.539199889       5.53415537    
 H    1.71236348      -1.68654370       5.08204603    
 O    3.46837187      0.917211533       5.26763868    
 H    2.84416628      0.225473553       5.55486870    
 H    4.00505400       1.14000332       6.02311611    
 O  -0.663606405      -1.49048817       2.53080726    
 H   -1.46410286      -1.82578886       2.11309457    
 H  -0.272158116     -0.892441094       1.87342620    
 O   0.368760020       3.35691008E-03  0.521128118    
 H   0.608728409     -0.789798558       2.15773601E-02
 H  -0.289404809      0.502772391       2.03172509E-02
 O  -0.465088934      0.463904649       4.48688364    
 H   0.226594299       1.03261602       4.12182426    
 H  -0.602231681     -0.255521566       3.85149169    
 O    2.06488705       2.99467444     -0.955560565    
 H    2.05862164       2.38959813      -1.70716774    
 H    2.45253563       2.50075269     -0.223657146    
 O   -2.88157535      -1.92055690      0.851110160    
 H   -3.65888739      -2.47506762      0.844528913    
 H   -3.19581795      -1.00379562      0.902209997    
          69
 Energy    -248.44520344558234     
  O     19.29874287      8.26043309     -8.39947137
  H     19.66467520      7.44402946     -8.03023978
  H     20.61106443      5.42536555     -6.75874949
  O     18.20349481      4.68866007    -11.10057269
  H     18.34453302      8.20833090     -8.23465929
  H     21.85871755      9.44323413    -10.31905133
  O     17.08132893      6.23853110    -14.36107166
  H     17.30945686      4.78567469    -11.45860752
  H     21.27103548      8.67857380     -9.12241929
  O     18.10648588      8.60049366    -13.21197114
  H     18.57165171      5.58776399    -11.09784890
  H     17.43220864     10.57026212    -11.04285019
  O     21.74912635      6.52340901    -14.00267206
  H     17.34898780      7.12865922    -14.09266824
  H     16.29567703     11.32270602    -11.77969963
  O     15.69861490      5.49838224    -11.93595016
  H     16.47850834      5.92915079    -13.67428740
  H     18.68223720      5.42475344    -14.13331386
  O     20.78900272      9.18490829    -13.68981100
  H     17.56828907      9.30444685    -12.83342928
  H     19.21463252      4.62995703    -12.94502476
  O     20.74725647      4.35349590     -9.74843073
  H     18.46847217      8.10332269    -12.46156684
  H     13.27817203      7.26763196     -8.77819250
  O     14.74478945      4.55734762     -7.85159748
  H     20.94590480      5.97207313    -13.96586795
  H     13.82768263      7.60739637    -10.17382710
  O     21.90211639      6.38492296    -11.21084514
  H     22.28829262      6.17366851    -14.70689794
  H     15.79592506      7.60448582     -7.70021899
  O     19.22770820      7.23645187    -11.05184592
  H     14.93743753      5.06063138    -11.53768915
  H     16.88681739      6.67906529     -8.28721458
  O     20.09101530      5.70469093     -7.50756515
  H     15.68812930      6.40809866    -11.60298902
  H     15.96866118      7.93373022     -9.88427260
  O     22.02100909      8.69857018     -9.72294745
  H     21.17949439      8.32466502    -13.88268155
  H     15.84937882      8.88474061    -11.10354909
  O     16.66918144     10.45731908    -11.63754984
  H     19.83135354      9.04687529    -13.68844156
  H     21.77555469     11.49307888    -11.80313699
  O     19.49307609      5.03730297    -13.76862215
  H     21.27199850      4.96679413    -10.28601225
  H     21.13550133     10.18726777    -12.33399683
  O     13.08301800      7.18864670     -9.71986268
  H     19.94302788      4.17982447    -10.24960621
  H     17.69241477      4.76799812     -9.31538856
  O     16.62052340      7.60734913     -8.20223830
  H     15.70126809      4.52527728     -7.98423228
  H     18.33375824      5.09840727     -7.94447043
  O     15.55812461      8.03460300    -10.75423528
  H     14.34332852      4.41372561     -8.71784171
  H     13.69641087      7.09823509     -6.18457981
  O     21.28195757     10.72327724    -11.53355971
  H     22.04711561      6.49289909    -12.15867618
  H     14.29619244      6.13368031     -7.23824750
  O     17.48893844      4.96780199     -8.39175491
  H     22.14056305      7.20021144    -10.74511491
  H     19.05650059      9.97072890     -9.37043786
  O     14.12188243      7.07194835     -7.03705629
  H     19.18723965      7.65792092    -10.18652016
  H     19.68895784     10.71364398    -10.56694805
  O     18.87110070     10.61568646    -10.06024820
  H     20.15306386      6.99253541    -11.19258318
  H     12.68077344      4.13975142    -10.70121647
  O     13.47779665      4.58578528    -10.42670098
  H     20.41004729      5.19935072     -8.27761737
  H     13.22795211      5.50236588    -10.21024301
          69
 Energy    -248.44500720488344     
  O     16.88699293     11.18470385    -10.62135674
  H     17.08610636     11.19233408    -11.56789265
  H     15.52869051     10.72902517    -16.07416234
  O     14.13371418      8.12992703    -14.98696221
  H     17.37127142     10.43315531    -10.26101921
  H     15.02869231      4.90157691    -13.98202445
  O     14.90563810      5.08266788    -10.42301267
  H     14.18737083      7.16528457    -14.96828167
  H     15.36447304      5.48582653    -15.35452440
  O     17.83537468      6.03566664    -13.47610504
  H     13.46412395      8.39107101    -14.33998958
  H     19.59597852      8.54202455    -12.86480297
  O     15.28019009     12.18550442    -14.85164845
  H     15.18140559      6.00666745    -10.34968071
  H     19.00052929      7.16050141    -12.55226812
  O     11.15939688      7.42449273     -9.64042608
  H     13.94135604      5.06896531    -10.39184479
  H     16.79137863      7.58385684    -13.29204759
  O     12.39399041      8.72032148    -12.89023725
  H     17.72747269      5.92743374    -14.42983127
  H     15.48500045      8.27407597    -13.78696256
  O     15.72269476      7.75190331    -10.47708052
  H     17.30872933      5.33388683    -13.07190371
  H     15.19411869     11.50323198    -10.44234138
  O     17.92236584      8.34271833    -16.29969421
  H     14.54665599     11.91383182    -14.27055618
  H     14.11073634     12.44423529     -9.86480336
  O     12.15843762      5.99729890    -13.24080228
  H     15.07549018     13.06398913    -15.15948865
  H     13.63255047     11.53274800    -12.19759536
  O     17.05408023      5.81990168    -16.18232503
  H     11.90320918      8.04046335     -9.74237378
  H     12.91788278     10.53488918    -13.13763252
  O     15.66136231      9.88703629    -16.52295568
  H     10.38566696      7.90093390     -9.93387215
  H     16.18054940      3.13588625    -12.50920938
  O     14.63573523      5.37217475    -14.72895871
  H     12.71062162      8.80129461    -11.98142579
  H     15.63218765      4.39440765    -11.79274372
  O     19.42427590      7.92637183    -12.14201017
  H     12.17251912      7.78419751    -13.01384102
  H     11.71920517      5.84919744    -10.18349562
  O     16.18472857      8.31594194    -13.12287630
  H     15.79978357      7.95900972    -11.42131898
  H     11.54551077      4.31424790    -10.19758735
  O     14.23419632     11.66430211    -10.39896943
  H     16.55335015      8.04040921    -10.08139879
  H     20.20437268     10.39222684    -14.59210731
  O     13.37367784     11.38502759    -13.11568160
  H     17.17760931      8.94901719    -16.43730992
  H     18.77797968     10.25316857    -14.01100286
  O     16.02900493      4.07009238    -12.62143407
  H     18.53097491      8.77778047    -15.69524201
  H     13.53583759      9.97267761    -10.17800977
  O     12.08073445      5.02250195    -10.54670164
  H     12.15793512      5.54593484    -12.38785919
  H     14.14872007      8.55292527    -10.21281381
  O     19.54435075      9.75157824    -14.33903321
  H     12.88742548      5.63173259    -13.75336935
  H     18.87407859      8.65787069     -9.12453200
  O     13.30929596      9.03544627    -10.21514031
  H     17.35280098      6.74250065    -16.29146046
  H     18.70204072      8.48652893    -10.65040783
  O     18.25484043      8.78514482     -9.83817462
  H     17.38673017      5.33811437    -16.93458342
  H     16.63580312     11.38231376    -13.90332774
  O     17.24352851     10.85409533    -13.37100449
  H     15.03795898      9.27350181    -16.10803931
  H     16.85085151      9.97102477    -13.27705722
          69
 Ord_Energy   -248.444717    
 O   -3.97216749     -0.657057226       2.50714350    
 H   -3.04141903     -0.846401691       2.33004904    
 H   -4.43178415      -1.48825443       2.68747449    
 O   -7.79626179      -1.27505386       1.02702510    
 H   -8.02462006     -0.738614440       1.79620361    
 H   -7.39573860     -0.683119595      0.379430175    
 O  -0.952467799      -2.38039088      0.143101126    
 H   -1.23547447      -1.78424919     -0.560039699    
 H  -0.914946496      -1.83991146      0.945250809    
 O   -6.97363758      -1.56174171       5.05303907    
 H   -7.56416178      -1.05398428       4.48258543    
 H   -6.57673359     -0.920970261       5.65421391    
 O   -2.24117446      -4.57102537       1.03397632    
 H   -1.82394719      -5.35828018      0.693825841    
 H   -1.74813724      -3.81418967      0.667375922    
 O   -3.34269738       2.70282794E-02   5.12210417    
 H   -2.63841987     -0.614710093       5.27391005    
 H   -3.66826034     -0.147644177       4.22590351    
 O   -6.49985981      0.405990839     -0.859022856    
 H   -5.80585289     -0.212943867      -1.15941155    
 H   -6.94046259      0.725292265      -1.64103341    
 O   -4.56675291      -1.26347411      -1.59473550    
 H   -4.57504749      -2.14392424      -1.18983531    
 H   -3.64276791      -1.00900698      -1.68732798    
 O   -5.63345909      0.526501894       6.51306677    
 H   -5.46750402      0.651316106       7.44371367    
 H   -4.77485991      0.342423588       6.09535646    
 O   -2.70541358      -3.82675314       3.72838020    
 H   -3.64808869      -3.60730624       3.70662737    
 H   -2.49048948      -4.14128685       2.84168482    
 O  -0.681236327       1.93070316       2.35757232    
 H   -1.32195544       2.22195029       3.03075552    
 H   0.104397848       2.45728874       2.47652912    
 O   -1.33398223      -1.93787420       5.03574800    
 H  -0.693168759      -2.33295274       5.61949348    
 H   -1.81728315      -2.67145967       4.60852909    
 O   -4.95878410       3.43300438       2.98312044    
 H   -4.94724560       2.78168201       2.25899267    
 H   -5.09979296       4.28777647       2.58395171    
 O   -6.92923450       2.06310534       4.50086737    
 H   -6.48531580       1.64268696       5.24817038    
 H   -6.26363182       2.58497429       4.03761148    
 O   -5.29641438      -2.94285893       3.38685036    
 H   -5.88197279      -2.52360082       4.03464603    
 H   -5.85498190      -3.33658051       2.70567226    
 O   -6.93787670      -3.80784154       1.30415285    
 H   -7.68037319      -4.40211725       1.24549901    
 H   -7.28537369      -2.90609717       1.17206907    
 O   -1.14432287     -0.837167084       2.43482876    
 H   -1.05730832      -1.17015779       3.33634591    
 H  -0.902311444       9.77702737E-02   2.43519950    
 O   -1.84983313     -0.408853292      -1.69740438    
 H   -1.42242682      -9.85567123E-02  -2.49133229    
 H   -1.96129906      0.366249442      -1.11886775    
 O   -8.49262524      0.177097037       3.34951091    
 H   -9.39968967      0.406916529       3.53591323    
 H   -7.94664192      0.902402878       3.70048141    
 O   -4.61703777      -3.70373797     -0.333906323    
 H   -5.40453768      -3.83172345      0.208328724    
 H   -3.87053013      -4.04179001      0.173320264    
 O   -4.84797382       1.50028300       1.09096849    
 H   -4.58941984      0.707197964       1.58731580    
 H   -5.46768475       1.21775150      0.407459348    
 O   -2.24995852       1.69351017      -2.42677908E-02
 H   -3.15703392       1.69731319      0.307960510    
 H   -1.68122149       1.84204030      0.739890575    
 O   -2.54552388       2.57353544       4.19856882    
 H   -2.78694487       1.74971843       4.64148521    
 H   -3.36562634       2.94551563       3.85035253    
          69
 Energy    -248.44470953528540     
  O      9.85577928     12.11627122    -10.27776586
  H     10.08786842     11.81895782    -11.17406995
  H     13.50649889     12.20802949    -13.47957301
  O     12.88842349      9.34990948    -16.37822087
  H      8.96472436     12.45424712    -10.32392291
  H     16.67526830     10.29659060    -10.45541123
  O     11.36072218      7.30778261    -10.58239591
  H     12.71102927     10.29808738    -16.38857694
  H     16.68599498      9.48609515    -11.76502582
  O     13.95499759      8.39743284    -14.05046727
  H     12.02635469      8.92648194    -16.27203613
  H     15.35494311      7.88323116    -13.05614907
  O     12.12146375     12.13331563    -16.20248935
  H     11.07396442      8.01716541     -9.99152995
  H     16.65036689      7.08132523    -12.80226721
  O     11.37169110      8.56057251    -13.00902063
  H     12.30980008      7.20181439    -10.43273832
  H     14.44949224     14.14257819    -11.37806131
  O     14.96915120      7.93277391     -7.64018855
  H     13.10081500      8.35344677    -13.59699256
  H     13.93039941     15.57444283    -11.63783135
  O     13.35608664     10.15712380    -10.59656891
  H     13.75241954      8.66255453    -14.96025101
  H     14.54536595      7.53806983     -9.38932700
  O     12.97951940      9.72181914     -7.17268355
  H     12.30571345     12.81513736    -16.84421813
  H     14.91925383      7.46126746    -10.91094711
  O     15.71052572     13.11067842    -10.70061668
  H     12.38597549     12.48740975    -15.33759146
  H     10.15642188     11.22222773    -13.58809512
  O     11.01276623      9.75624216     -9.19661574
  H     11.29134344      8.06089433    -12.18380169
  H     11.41764184     11.88700507    -12.98836591
  O     12.82746560     12.88427960    -13.64057599
  H     11.17233290      9.48579069    -12.81804412
  H     13.45549723     12.60030662     -8.70772205
  O     16.71413554     10.38656019    -11.42077981
  H     14.22709919      8.51798171     -7.40203160
  H     13.92465623     11.25766830     -9.29904114
  O     16.06468494      7.72477287    -12.41021286
  H     15.14956378      7.39152188     -6.87648467
  H     14.38275723     10.06362235    -13.48696821
  O     13.67125108     14.65647692    -11.65874988
  H     13.68076221      9.25047334    -10.50419085
  H     15.36107372     10.82235943    -12.53298466
  O     14.18597074      7.51489431    -10.28681236
  H     13.66891478     10.48550228    -11.44588836
  H     10.39047575     11.42586867    -15.73277125
  O     10.67138577     11.31262274    -12.77190861
  H     13.35337256     10.58148024     -7.40013280
  H      9.73947862     10.05255251    -15.49181724
  O     14.14143782     11.92108257     -8.62249767
  H     12.17222404      9.65275756     -7.69985351
  H     16.06602030      9.37423338     -8.28453323
  O     14.54155048     10.90524556    -13.03987606
  H     16.24874885     12.37867291    -11.01593941
  H     15.76469284     10.86958842     -8.44850653
  O      9.64658263     10.99316538    -15.29381804
  H     15.28407054     12.78955938     -9.89503377
  H     11.35431583     13.16947771     -9.67902931
  O     16.40411612     10.18539024     -8.68211275
  H     11.80293490      9.91213184     -9.73957978
  H     12.52538529     14.04242864    -10.19233938
  O     12.15555603     13.63063396     -9.40250941
  H     10.43715795     10.50482483     -9.38559820
  H      9.91127182      7.42380402    -15.67599907
  O     10.37559554      8.24713028    -15.55007135
  H     13.02866157     13.61342880    -13.04255405
  H     10.67985410      8.25880602    -14.62603594
          69
 Energy    -248.44458308447125     
  O     11.55693605     10.46781874    -11.69582882
  H     12.06223487     10.96753674    -12.34898926
  H     14.67395472      6.16162232    -15.64023699
  O     13.68283744      7.22052421    -14.52492907
  H     10.89736108      9.97382508    -12.19704493
  H     16.94465299      5.67570974    -15.69027100
  O     18.11989452     10.92764570    -11.07951740
  H     13.46443600      6.96440740    -13.61904052
  H     18.30698671      4.94912614    -15.75167339
  O     17.81124845      8.19434079    -16.97921108
  H     13.05680388      7.91011609    -14.78185552
  H     15.79173021     11.48512528    -15.90262840
  O     12.03779727      9.38448739    -15.06767992
  H     18.10471171      9.97914706    -10.85178785
  H     15.20473101     12.80829770    -16.44742411
  O     15.52380680      7.64189450     -9.12127793
  H     18.45495833     11.39235732    -10.31768914
  H     15.14655618      8.23295748    -14.19378459
  O     13.11520837      6.69506188    -11.86021336
  H     17.02138007      8.02725238    -17.51077713
  H     16.29802599      9.24304773    -14.56361561
  O     15.45293356     10.60640694    -11.96921992
  H     17.94824913      7.40272769    -16.44594241
  H     16.92865953      7.46315364    -13.11868383
  O     15.32944102      7.76127672    -18.30723415
  H     11.20497792      9.22441588    -14.60828439
  H     17.76199015      6.27424944    -13.60093711
  O     15.48450240      5.56515172    -11.12783915
  H     12.50011039     10.07753518    -14.57352977
  H     10.22736340      5.49347502    -12.54487267
  O     17.17478147     10.46144790    -15.63612403
  H     14.80770050      8.16414832     -9.51858120
  H     11.38152917      6.43892604    -12.17514034
  O     15.30490003      5.78209851    -16.26734897
  H     15.31257579      7.55186526     -8.19515373
  H     18.77580485     10.98823275    -12.80165033
  O     17.88017745      5.73588194    -15.42234821
  H     13.88407421      6.14999108    -11.63657951
  H     19.94109538     10.52751376    -13.68683331
  O     14.96454474     11.98096747    -16.03813118
  H     13.24629628      7.54740882    -11.42447933
  H     17.16312375      8.07727462     -9.97620542
  O     15.90683535      8.72131030    -13.85201201
  H     15.63061451      9.90423397    -12.61743622
  H     17.91771349      7.69804815    -11.27208734
  O     17.46989047      6.72397816    -12.80018793
  H     16.30763085     10.87673623    -11.61886437
  H     13.02464785      9.54442317    -16.65929242
  O     10.44596167      6.41527753    -12.43496341
  H     15.13754381      7.69434264    -19.23881523
  H     14.14923568     10.53612450    -16.98178290
  O     19.08774696     10.95572603    -13.71757331
  H     14.74601905      8.45575453    -17.95376567
  H     12.81310565      9.55424714    -10.75409132
  O     17.92589507      8.30686756    -10.52105066
  H     16.19471458      5.83025621    -11.72754095
  H     14.33416550      9.64153925    -10.95415571
  O     13.74213379      9.71516236    -17.28266479
  H     15.57401803      6.12861560    -10.34943622
  H     13.88076298     11.73978647    -14.50070288
  O     13.64438624      9.11518640    -10.52345753
  H     17.87146873     10.69172838    -15.00521876
  H     14.11929867     11.23561362    -13.06616511
  O     13.42335913     11.41786523    -13.71348817
  H     17.48971258      9.72494100    -16.18266693
  H      8.88946029      8.99975447    -13.45083704
  O      9.83448820      8.89242619    -13.38209117
  H     15.26474382      6.35419011    -17.04402086
  H      9.99268292      7.99221448    -13.04851123
          69
 Energy    -248.44445632099195     
  O     15.87513440     10.38607750     -9.14289420
  H     16.17878565     10.61422898     -8.26917799
  H     14.52840339      6.12292598    -14.76193642
  O     12.21302626      7.12352228    -11.50601271
  H     16.46774441      9.68397578     -9.47246162
  H     16.72136868      5.85973639    -13.89085756
  O     17.29851367     10.29882040    -15.28395803
  H     12.84639636      6.40754663    -11.64203072
  H     18.23114830      5.98576373    -14.21802803
  O     17.48970254      8.82735792    -12.94734560
  H     12.63459946      7.76594130    -10.92086735
  H     14.42374754      9.03487481    -11.87211986
  O     16.22497892     12.51508725    -13.88770208
  H     16.50395110      9.95535130    -15.71591228
  H     15.69215507      9.03171784    -12.78091578
  O     14.94519583      9.37640401    -16.58596973
  H     17.03114752     11.10829077    -14.83006786
  H     14.31763959      9.54696502     -9.71598898
  O     14.02894727     11.76669003    -15.59474031
  H     17.56213260      9.33335103    -13.76569872
  H     13.05184255     10.08914420    -10.40129599
  O     16.62323365      5.30662961    -16.88080487
  H     17.57299736      7.88942224    -13.17379510
  H     14.41359725      5.04007424    -12.95741188
  O     11.08549841      8.16380891    -13.72678782
  H     15.93102187     12.34810439    -12.97586927
  H     13.85917911      4.10072586    -11.86869594
  O     16.58023450      5.87868438    -10.86869893
  H     16.61959440     13.38416273    -13.88484514
  H     13.36999280     10.17169466    -13.32803187
  O     13.63014390      7.65742055    -14.83821511
  H     14.45178681      8.74095051    -16.04952959
  H     11.89286987      9.86100288    -13.65693862
  O     15.08805554      5.34793630    -14.60644423
  H     14.57744516     10.25168081    -16.39421644
  H     20.10439257      5.65211792    -15.97459256
  O     17.57636655      6.11991647    -13.52168654
  H     14.74407104     12.12928950    -15.05693912
  H     19.12712311      6.84190975    -16.13339552
  O     14.72779398      9.06792717    -12.78712055
  H     13.35346971     11.48208264    -14.96555525
  H     17.07280249      7.53558672    -10.25488822
  O     13.53989711      9.27505927    -10.22141477
  H     16.47533867      6.08639410    -17.42980781
  H     17.56953958      8.70979822    -11.10979337
  O     14.06423927      5.01549936    -12.05170354
  H     17.53944945      5.37119075    -16.58407967
  H     16.13320761      7.96395232    -19.21871661
  O     12.51422434     10.58747735    -13.52127751
  H     10.19504307      7.84419042    -13.83885116
  H     15.81826021      8.39481652    -17.76885938
  O     19.21406731      5.93562386    -15.78670630
  H     11.42808426      7.76915025    -12.90266891
  H     15.63056246     11.61052377    -10.60737513
  O     17.35644536      8.45907858    -10.20081806
  H     15.68786361      5.60949894    -11.11055068
  H     14.34969859     12.18128209    -11.22156584
  O     16.37115555      7.80465129    -18.30881030
  H     17.07993686      5.85264934    -11.69600911
  H     18.01855690      8.21935744    -17.44771878
  O     15.30760915     12.16151229    -11.33066865
  H     12.68568510      7.71978542    -14.65789703
  H     18.42876007      9.14230183    -16.28801638
  O     18.73159538      8.39607044    -16.82024088
  H     14.07175914      8.07440416    -14.07930365
  H     12.36415550     11.45254829    -11.98526478
  O     12.46249497     11.77828415    -11.07401223
  H     15.55747956      5.18212791    -15.43726782
  H     11.72539437     12.35884384    -10.90493872
          69
 Energy    -248.44424361281116     
  O     10.19270403     10.71823432    -10.48947365
  H      9.31874632     10.57017577    -10.13930618
  H     15.61824940     14.17026623    -14.10114463
  O     12.83888325      9.93565426    -16.25269688
  H     10.80524018     10.70946842     -9.73244168
  H     16.93410358      8.98714919    -11.82280357
  O     11.98050187      8.83285951    -11.79347570
  H     13.19077250     10.81839265    -16.46685488
  H     16.98061863     10.36184150    -12.49162533
  O     13.83625624      9.04816035    -13.81521637
  H     12.72126525      9.47968739    -17.08204157
  H     15.51651352      6.78191228    -12.18924640
  O     13.86974546     12.53971206     -7.50616805
  H     12.59926235      8.77605251    -11.05500040
  H     14.93648058      8.10837446    -12.72705567
  O     13.64252980     12.48158740    -16.75117903
  H     11.26799345      9.40355464    -11.48479728
  H     14.85791598     15.76280908    -12.19166716
  O     14.13344420      9.05087117     -9.89528578
  H     13.09168127      9.01800495    -13.19386929
  H     13.36524397     15.47865309    -12.44105595
  O     14.08934999     11.57822750    -11.28402482
  H     13.48247574      9.24501084    -14.69124629
  H     17.82289466     10.77983276    -10.45613845
  O     12.07675785     10.56003674     -8.53699667
  H     13.99674631     13.12459848     -8.27399168
  H     18.87360336     11.22021280     -9.40959277
  O     16.98944766     13.84640245    -10.64626540
  H     13.81015182     13.10172686     -6.73827942
  H     12.07053670     13.72072180    -13.19110079
  O     11.60913014     12.16537671    -12.39147156
  H     12.84330754     13.02228724    -16.71557940
  H     11.97220780     14.43709497    -14.56001407
  O     14.97707660     13.59770849    -14.54186929
  H     14.25318702     12.88102281    -16.11773234
  H     14.18916480     13.08502791    -10.34717864
  O     17.42974691      9.81258034    -11.83204107
  H     14.64966784      8.51554846    -10.51031364
  H     14.08945258     14.63811013    -10.39263439
  O     15.45919443      7.71680645    -12.00718606
  H     14.75435652      9.44802949     -9.26086812
  H     15.46494024     11.96592007    -13.95734504
  O     13.98948739     15.79237058    -11.77304774
  H     14.73776303     11.49194033    -11.99497762
  H     15.03317463     10.46873567    -13.74314633
  O     17.97114215     11.35788718     -9.68590372
  H     14.09630322     10.75179436    -10.78923596
  H     10.91241122     12.98394594    -15.78116457
  O     12.43351973     14.45175891    -13.71307799
  H     12.59183503     11.26233136     -8.12109167
  H     10.43212916     14.15845996    -16.66973503
  O     14.28338788     13.88870291     -9.81207620
  H     12.72002419      9.90721101     -8.83657199
  H     16.49475926     10.83148479     -8.64995616
  O     15.68587751     11.14132301    -13.50428096
  H     16.12041258     13.90357933    -10.22807783
  H     15.19356120     11.20216025     -7.88406352
  O     11.17991578     13.83442582    -16.17570146
  H     17.38462032     13.02658786    -10.32960129
  H     16.81699835     14.70572916    -12.14514453
  O     15.70645366     10.46253326     -8.23173037
  H     10.97586807     11.81712994    -11.75203526
  H     17.30339522     15.84161738    -13.07509317
  O     16.59506240     15.21719831    -12.94420691
  H     12.48184709     11.91464217    -12.05713392
  H     11.35567734     10.80874496    -15.35857366
  O     10.73617997     11.43926045    -14.97366312
  H     14.10366169     13.88376275    -14.23874083
  H     11.02448314     11.58754259    -14.06232670
          69
 Energy    -248.44405167083124     
  O     12.22733593     11.44163962    -15.05100414
  H     12.14228764     11.20063680    -14.11109496
  H     15.76481904     11.44176732    -17.09637077
  O     15.85364487      6.73670952    -12.88867664
  H     11.49188967     12.01324361    -15.25514032
  H     14.70190875      8.91502395    -15.04709988
  O     17.82765369      9.46078993    -16.03685937
  H     15.47805365      7.22640151    -12.14443035
  H     15.60643583      8.13654153    -14.03922577
  O     11.85907535      6.73154596    -14.53190340
  H     16.81322855      6.85114151    -12.88947258
  H     11.88574156      9.70131248    -12.29479162
  O     16.48192114     11.32857681     -9.19990319
  H     17.49811835     10.02197582    -16.74652841
  H     12.79000963     10.89427885    -11.92647118
  O     14.47535718      8.25900078    -11.00318489
  H     17.03885296      9.21332016    -15.52974407
  H     19.69004392      7.92981002    -10.29764581
  O     16.09410376     11.31271279    -13.31767751
  H     12.71004594      6.26386399    -14.63785309
  H     18.75349903      7.64232007    -11.48595419
  O     18.16215533      6.64076210    -15.83322217
  H     11.19823286      6.20636368    -14.97517886
  H     11.14156785      7.38655919    -11.47772950
  O     16.49619308      8.61587501     -9.06979343
  H     16.48961566     10.36690212     -9.04097079
  H     11.83612067      7.40202909    -12.85727683
  O     15.72642792      5.99905406    -17.19993259
  H     16.59837968     11.75109035     -8.35357174
  H     18.99506723      9.79009088    -14.61425726
  O     14.24323068      5.58877088    -14.82792152
  H     14.50143954      9.22280839    -11.08556723
  H     19.16375780     10.33424230    -13.16715720
  O     16.23789245     10.98426883    -17.81400088
  H     13.57923431      7.99851724    -11.24658999
  H     18.98681010      8.05369867    -13.36349093
  O     15.53346729      8.94520984    -14.55978136
  H     15.89997135     10.46048769    -13.74037150
  H     18.50356103      6.77534360    -14.06215156
  O     12.04017682     10.63420208    -12.47975489
  H     16.87317847     11.18023073    -12.76271143
  H     17.67733966     11.14680689    -10.70713761
  O     18.81026212      8.09663748    -10.62919273
  H     18.21207026      7.58080680    -16.05385518
  H     18.39361826      9.89070204    -11.21754273
  O     11.84581679      7.79985516    -11.97248099
  H     17.36971547      6.32028387    -16.27850455
  H     15.36683088      9.28684866    -18.02315415
  O     19.51000762      9.69679223    -13.79927793
  H     15.75041892      8.33687347     -9.61760218
  H     14.13482912      8.63076233    -17.37420823
  O     18.60266349      7.17941867    -13.18764486
  H     17.29130738      8.31725712     -9.53022413
  H     14.95703738     11.25185166    -11.94359680
  O     18.14206507     10.78772658    -11.47305151
  H     15.46085574      6.88074234    -17.51564057
  H     15.01194015     11.29769577    -10.39737645
  O     14.87070001      8.46120764    -17.97883453
  H     15.76725472      5.43617795    -17.96903595
  H     14.00904843     12.01290947    -15.53164739
  O     14.44138637     11.07463599    -11.14167934
  H     14.84348906      5.83717881    -14.11092555
  H     15.40795595     12.06668427    -14.89322877
  O     14.93735807     12.18008945    -15.73016197
  H     14.74481774      5.66939871    -15.64884007
  H     12.68568142      9.77796760    -15.66786881
  O     13.05601206      8.91876585    -15.90912374
  H     16.41034574     11.63826524    -18.48593456
  H     12.54431168      8.23356468    -15.46459148
          69
 Energy    -248.44403259411882     
  O     16.61413899      9.83874656    -11.51740353
  H     16.87531384     10.60134191    -10.98737552
  H     13.13501409      9.53442052     -9.30623416
  O     14.68158559      5.01731048     -7.54854489
  H     17.41572819      9.34996034    -11.75773497
  H     17.81757946      3.86041782    -14.35156459
  O     17.42410001     11.79458226     -9.65481856
  H     15.01023936      5.14622372     -8.45438490
  H     16.64242615      4.81702128    -14.03533520
  O     12.51098350      6.87055164     -8.04662315
  H     14.50272128      4.08452303     -7.45395683
  H     14.84673175      5.70675107    -10.76580857
  O     14.40289031      8.76138229    -12.79262676
  H     18.08606181     11.20669826     -9.24572972
  H     15.67387656      6.58429518     -9.79703169
  O     18.76413434      8.21912262    -12.07779856
  H     17.86737979     12.61435272     -9.85714505
  H     18.34069955      7.81097471    -13.85774340
  O     20.93658290      8.58982533    -10.32356631
  H     13.21695219      6.27043634     -7.78455112
  H     17.97626745      6.45969217    -14.49602942
  O     18.02329981      5.63306435    -11.29162781
  H     12.87749928      7.76671479     -8.02796162
  H     15.34066892      8.34180847    -16.18805237
  O     11.35563497      6.69887917    -10.49582132
  H     14.66138953      8.58462893    -13.70562302
  H     16.34215903      7.84881290    -15.11597530
  O     15.14834951     11.65689933     -7.96247888
  H     15.15532391      9.20219748    -12.37300830
  H     16.16999583      8.79069626    -10.10618814
  O     12.36195875      9.38028754    -10.91768602
  H     19.56956210      8.43465531    -11.59298245
  H     15.10188555      8.62552051     -8.98716730
  O     13.59251587      9.41604865     -8.45843910
  H     18.48544575      7.34180648    -11.77493130
  H     19.87740073      9.68701326     -9.18114783
  O     17.59468380      4.66617272    -13.89354461
  H     21.88596157      8.53289819    -10.38255326
  H     18.83454554      9.34406793     -8.10098681
  O     15.51891286      5.66554300    -10.07212084
  H     20.62940078      7.76426398     -9.90321338
  H     15.81470394      6.74317736     -5.04263274
  O     17.97069947      7.41172920    -14.65581651
  H     17.94475440      5.20458429    -12.15323554
  H     15.77361141      5.92799465     -6.34099093
  O     15.39588885      7.97707994    -15.30901883
  H     17.16346927      5.54915518    -10.85748799
  H     12.79172546      6.25819777    -11.57011919
  O     15.91454279      8.24784074     -9.35047208
  H     10.44088047      6.44283740    -10.41777861
  H     13.91486168      7.08482908    -12.25241351
  O     19.20900422     10.07873887     -8.60655170
  H     11.72207858      6.71416563     -9.59321280
  H     19.19462418      6.77845167     -8.57386971
  O     16.36103978      6.43694841     -5.76343174
  H     15.40379065     12.09264859     -7.15212640
  H     19.25530404      5.97235614     -9.89418377
  O     13.64014389      6.18354621    -12.02441419
  H     15.91428087     11.72442658     -8.55009404
  H     17.55357568      7.33399873     -6.84103652
  O     19.80348785      6.40359667     -9.22615235
  H     12.98947685      9.28608929    -11.64610434
  H     17.26300308      7.97489339     -8.21110478
  O     17.97689519      7.77921199     -7.58558145
  H     11.89074832      8.54003399    -10.86477454
  H     14.44066626      5.45830551    -13.53276524
  O     14.99764385      5.31350669    -14.30957514
  H     14.02520782     10.24994079     -8.23174217
  H     15.02268826      6.16078568    -14.77141485
          69
 Energy    -248.44381621403016     
  O     14.65865714     12.90422777    -13.47010478
  H     13.76601211     12.87756022    -13.10388966
  H     12.82905762      6.28841905    -14.54023659
  O     13.83543516      6.94272481    -13.24069346
  H     15.13476404     12.17855941    -13.04469226
  H     16.08174717     10.14046413    -17.49684938
  O     17.56573932      8.50652010    -12.36769183
  H     13.28435457      7.22524006    -12.49939457
  H     16.24762065     11.40400186    -16.62864020
  O     17.28710268      8.57157068    -15.22457760
  H     14.04824132      7.74062199    -13.75142106
  H     15.41193344      8.97074369    -15.01936175
  O     13.21087896     10.74212983    -16.52888689
  H     17.18491423      7.63900096    -12.56779652
  H     14.03726745      9.68063889    -15.26820343
  O     14.80136086      9.09723276     -8.88319271
  H     17.65769131      8.53131960    -11.40614320
  H     11.75026865     11.89435770    -13.13047484
  O     12.19798546      7.91569463    -11.26558318
  H     17.56736076      8.78928191    -14.32832092
  H     11.35175111     13.05860226    -12.19159356
  O     15.56613128     10.46078952    -12.46596222
  H     17.27596580      9.36875149    -15.77663051
  H     16.58955327      6.68376937     -9.89118726
  O     14.42246403      6.76087163    -17.10723550
  H     13.76770602     11.52997602    -16.45406168
  H     16.21583390      5.78199337    -11.08212991
  O     13.55047064      6.52911875     -9.21542035
  H     13.56191076     10.22344206    -17.26397207
  H     11.12457360      8.06478699    -12.89323333
  O     16.83944282      5.95022514    -15.76397957
  H     14.32075754      8.26098132     -8.85216517
  H     11.15844773      7.57452851    -14.35874873
  O     12.26276888      6.14936354    -15.31875813
  H     14.26222162      9.68588827     -9.42717750
  H     15.43726972      6.28101103    -12.99386864
  O     16.69868070     10.59944349    -16.91196571
  H     12.51434209      8.82052581    -11.12552204
  H     16.61405017      5.77668593    -13.84685831
  O     14.54438719      9.15553772    -14.63836355
  H     12.51677133      7.39384216    -10.51808209
  H     17.93688010      8.65005103     -8.84551579
  O     12.05704219     12.44860056    -12.38815440
  H     15.10713305     10.08637311    -13.23392181
  H     16.46654068      8.75147151     -9.31074268
  O     16.04043852      5.93142647    -10.14420221
  H     16.32332253      9.88313141    -12.31952079
  H     14.56837209      9.01762167    -19.28878993
  O     10.77760880      8.24027771    -13.77721673
  H     13.64435035      6.55172353    -16.57622403
  H     14.57235284      8.28427570    -17.92874678
  O     16.36706423      6.00451920    -12.94445427
  H     15.18104185      6.36976638    -16.65835063
  H     14.15525619     10.42961084    -11.36665451
  O     17.35053183      8.43097691     -9.56488794
  H     14.41087894      6.23533327     -9.56442343
  H     12.80315202     11.15983168    -11.24824568
  O     14.65787458      9.15826909    -18.34993794
  H     13.29788061      5.90005401     -8.54478427
  H     15.14537182     13.70289529    -16.47300661
  O     13.32326388     10.44146700    -10.86907187
  H     17.56075598      5.55825573    -16.25049834
  H     14.94041843     12.89681883    -15.16956976
  O     15.06120220     12.81627729    -16.13290505
  H     17.06935079      6.88788956    -15.63129670
  H     11.05184824      9.97612659    -14.23140753
  O     11.30711220     10.88783603    -14.43286063
  H     11.87612419      5.28139950    -15.22441607
  H     11.83353210     10.85660219    -15.23988753
          69
 Energy    -248.44375159074696     
  O     -0.97726719      5.04570615      2.45548222
  H     -1.81278577      4.62970094      2.20296782
  H      0.26079084      2.75683360     -2.85123502
  O     -3.29710087      5.96224365     -0.57416001
  H     -0.39212059      4.96406614      1.68301901
  H      1.01366533      7.89109020     -1.73479610
  O      2.39434355      6.90266370      1.11223768
  H     -3.19422275      5.26008131      0.08363033
  H      0.32645407      6.71419050     -2.44062614
  O     -0.91394782      5.44994484     -1.88068209
  H     -3.93680229      5.61204305     -1.21025334
  H     -3.80235635      1.30341963     -2.07042867
  O      2.38962690      2.69844158     -0.06174433
  H      1.95331438      7.65266164      0.69522275
  H     -3.05001035      1.09153215     -0.75273992
  O      0.68749581      4.88714331      0.27654059
  H      2.05740717      6.84953848      2.02182494
  H      3.37672518      4.20757032      3.10610284
  O     -1.52918127      7.54545995      0.94911293
  H     -1.78003248      5.69892614     -1.53476733
  H      3.65445863      3.94584704      4.60586783
  O     -1.46055804      1.90298649     -0.16354590
  H     -0.34219110      5.29571755     -1.11121369
  H     -5.25622260      3.85318833     -1.39187165
  O     -3.06512371      3.75609671      1.17324014
  H      2.34682265      2.58142027     -1.01885762
  H     -4.40246323      3.77326478     -2.66862412
  O      0.67796610      8.78708222     -0.07690499
  H      1.90206802      1.97621893      0.35473734
  H     -2.34215292      2.55055343     -3.33020883
  O      0.71906242      0.92116828      1.31844442
  H      1.23154978      4.09865492      0.16406411
  H     -3.33076651      2.28857790     -4.48565824
  O     -0.68055339      2.88346993     -2.68877023
  H      1.28851799      5.61779563      0.47899877
  H     -0.04382268      3.47878003      3.14536206
  O      1.12123180      7.26535789     -2.46053473
  H     -1.39322240      6.87834818      1.62898291
  H      1.39411481      3.13508817      3.58917827
  O     -3.90437905      0.94198479     -1.18070361
  H     -2.22673706      7.19135114      0.38106162
  H      2.45476340      3.71231415     -2.78439679
  O      2.95349701      4.07322665      3.97239567
  H     -0.72951310      1.49976404      0.31873143
  H      2.68217265      2.38337976     -3.54272417
  O     -4.92469168      4.37954494     -2.13036253
  H     -1.12026500      2.21846556     -1.01144063
  H      0.43387332      6.00060935      3.40480328
  O     -3.28061085      2.42028372     -3.54177642
  H     -2.47525100      3.12864162      0.72898123
  H      1.85552633      5.64488110      3.87923500
  O      0.56461186      2.74443422      3.28371934
  H     -3.96312325      3.44443614      1.00621849
  H      3.53776333      5.39781645      1.25372732
  O      2.14276550      2.79223211     -2.87080917
  H      0.58566251      9.72974422      0.03397616
  H      3.50494459      3.88652750      0.88676687
  O      1.30227646      6.38032534      3.58577970
  H     -0.13253816      8.38470366      0.28241802
  H     -5.00441196      1.98135031     -0.28808031
  O      3.92388429      4.53706188      1.46624220
  H      0.81541307      0.04345285      1.67748024
  H     -6.30354039      2.32448260      0.48177658
  O     -5.48479052      2.69686962      0.16607432
  H      0.65051548      1.53323268      2.07519203
  H      2.39831282      6.04370491     -2.51016390
  O      3.03587382      5.31160726     -2.47147593
  H     -0.80005764      3.82756261     -2.49201714
  H      3.74923259      5.61379594     -1.91418692
          69
 Energy    -248.44368759198937     
  O     14.00781020     13.40128994    -13.75724099
  H     13.44883358     13.33472403    -14.53858152
  H     14.12621965     10.56213028    -14.43058474
  O     15.61201482      9.37683750    -17.72643148
  H     14.69980363     12.73131341    -13.87203002
  H     15.34230675     11.26542519    -17.46007623
  O     15.55472231      8.73068232    -11.59466601
  H     15.68454462      8.92947679    -18.56605259
  H     15.92792167     12.58554997    -16.88114899
  O     17.89479630     14.85413476    -13.84408287
  H     15.04134820      8.82692576    -17.16392744
  H     12.10026736     12.99965764    -16.78632404
  O     14.18367019      7.97146951    -15.82825916
  H     16.12180379      9.49469024    -11.42525523
  H     13.55945007     12.51075227    -16.60094937
  O     14.60129254      6.16186787    -10.99092938
  H     14.65396100      9.06394241    -11.71213648
  H     18.65334438     13.25868183    -13.00007096
  O     15.47858867      4.90542026    -13.23018776
  H     18.42272793     15.63184273    -13.68171531
  H     19.23005303     11.97332809    -13.59075677
  O     15.72971916     11.22828635    -13.97364308
  H     17.13286318     14.90523298    -13.23970249
  H     13.03265287     11.27644592    -11.43721764
  O     12.89514139      9.50932825    -12.05572389
  H     13.71636404      8.74401222    -15.47518862
  H     13.32817576     12.62446410    -12.14140288
  O     16.24495785      7.50615133    -13.99301792
  H     14.90237735      7.78222498    -15.20592801
  H     16.90529826      9.44587307    -16.36159542
  O     19.33662764     11.48825625    -15.37180329
  H     13.66579574      6.33971363    -11.14746996
  H     17.14026398      8.75127249    -14.99099554
  O     13.23635700     10.27427800    -14.69285673
  H     15.03675603      7.02571150    -11.01799739
  H     13.80702830      5.40592529    -14.04456762
  O     15.13049186     12.18112996    -17.24493165
  H     15.88922190      4.06189135    -13.06290268
  H     13.26358911      6.51431282    -14.96692732
  O     12.70289594     12.62810129    -16.14891889
  H     15.20538413      5.26421710    -12.36580189
  H     15.33053790     13.21011260     -9.08069941
  O     18.95815581     12.37859968    -12.75475903
  H     16.11000821     11.20245014    -13.08520371
  H     14.61581275     12.74384622    -10.37375196
  O     13.23916277     12.20545201    -11.27558986
  H     16.35142347     10.77633929    -14.55589783
  H     16.50784476     11.78341657    -10.88224603
  O     17.37740157      9.52292270    -15.52388043
  H     12.87566478      9.74276323    -12.99521475
  H     17.72618847     11.52046999    -11.82694165
  O     12.99761296      5.86385356    -14.30567900
  H     12.47658918      8.64376283    -11.97060195
  H     11.13478574      6.45211395    -11.78322238
  O     15.46570797     13.05592286    -10.01149837
  H     16.14973442      6.56319850    -13.81441094
  H     12.26811854      6.49495322    -12.83562746
  O     16.92079246     11.12648400    -11.45602195
  H     16.04256594      7.96563914    -13.16433712
  H     15.05561698     14.52317041    -12.75139400
  O     11.97949576      6.85022136    -11.97620223
  H     18.79594080     12.17868267    -15.77250869
  H     15.74216344     14.36954770    -11.38023723
  O     15.76878826     14.87634150    -12.20024668
  H     18.79849552     10.68715355    -15.43917874
  H     17.55708762     13.98969736    -15.42112297
  O     17.47228137     13.53834994    -16.27597699
  H     12.85693428     11.00595988    -15.19276348
  H     17.79751602     14.15199790    -16.93258756
          69
 Energy    -248.44340915940990     
  O      3.00157162      8.48334060      3.26485118
  H      3.12922222      8.84812185      4.13695588
  H      4.54749560      5.37273751     -1.81769843
  O      2.05079283      5.92790285      3.28094765
  H      2.66367450      7.57917671      3.38423343
  H     -0.97133730      6.46175166      2.55449787
  O     -0.57285013      5.11931400      3.89273073
  H      2.10738321      5.83211210      2.31688826
  H     -1.17395600      6.50768618      1.02969440
  O      0.88012850      9.03750583      1.37578183
  H      1.16646402      5.65250291      3.54872437
  H      4.91565241      9.25070059     -1.51354739
  O      1.70508887      7.91351115     -0.92973272
  H     -0.97065236      5.04244693      4.75666168
  H      4.66703702      8.25902147     -0.35390919
  O      4.74656330      4.51882951     -0.21824435
  H     -0.80523089      4.31234862      3.40690692
  H      6.89397631      5.10843185      2.50157090
  O      1.85015109      4.61735466     -3.01821047
  H      0.17579918      8.41166268      1.60578379
  H      5.38085575      4.82113848      2.65582666
  O     -3.34100566      3.95519275      0.96106013
  H      1.55635167      8.96624497      2.05797290
  H      1.76690693      3.05278543     -2.36257378
  O      4.07442565      3.99834545      3.43826907
  H      1.39682913      8.41095834     -0.15513541
  H      1.38568671      1.56330729     -2.55672367
  O     -1.33483812      5.28091839     -0.44108382
  H      2.60849483      8.18944329     -1.12653647
  H     -0.53349217      3.02269220      1.63352093
  O     -0.10102111      6.68357997     -2.51840310
  H      5.32166439      4.73260586      0.52504904
  H     -2.04609124      3.16418505      1.94373412
  O      4.24175206      5.91273459     -2.56128981
  H      4.59149772      3.56260250     -0.21957499
  H      5.39081669      7.04135090      1.62106231
  O     -1.02825137      7.06350314      1.80453188
  H      2.69458091      5.08754839     -2.94175254
  H      4.35793527      8.13552092      1.98162124
  O      4.41247535      8.47919546     -1.26823519
  H      1.15806444      5.28204496     -2.94927272
  H      3.16512165      5.25986009      0.27338533
  O      6.03825979      5.32273727      2.14024628
  H     -4.14975817      4.45330210      1.05082574
  H      2.09227177      6.37116021      0.02930332
  O      1.67010603      2.19641522     -1.90381007
  H     -2.76990990      4.47785620      0.37557021
  H      1.85345287      1.52927183      2.75003552
  O     -1.19476039      2.91931685      2.33387630
  H      3.38794869      4.66851356      3.55554725
  H      1.91190782      2.52072926      1.57732880
  O      4.99135601      7.86131401      1.30740642
  H      3.62055739      3.23126613      3.06742891
  H      3.25606078      1.87667349     -0.84714084
  O      2.29441689      5.58217672      0.54615620
  H     -1.02569273      5.77276680     -1.21273649
  H      3.57727129      1.72881733      0.65680759
  O      2.46712305      2.01906625      2.18584889
  H     -0.66188127      4.61355841     -0.25858611
  H     -0.33489732      1.54135264      3.22042815
  O      3.97876012      1.88838390     -0.20720455
  H      0.54337432      7.18315334     -1.98489719
  H     -0.13683282      0.09510608      3.70095758
  O      0.31977712      0.92480188      3.58280104
  H     -0.41367270      7.27514270     -3.19790075
  H      0.94972098      2.91949569     -0.42681392
  O      0.69014042      3.42170275      0.35821125
  H      4.35887238      6.82328245     -2.27007580
  H      1.25455346      4.21072820      0.40961150
          69
 Energy    -248.44320035588720     
  O      1.61208435      2.32558324     -3.85630798
  H      1.73938543      2.16212875     -4.80875190
  H      2.13074897     -1.73846822     -3.57246692
  O     -1.51961861     -3.46651262     -4.65605506
  H      1.56158110      3.27114380     -3.74483820
  H     -4.18619059     -2.66984900     -3.42210951
  O     -1.71425271     -1.41933027     -1.25038287
  H     -2.43286739     -3.62515141     -4.37543413
  H     -4.52998123     -4.10801979     -3.00171439
  O      3.81724430      0.67678363     -3.12161934
  H     -0.96556604     -3.51747484     -3.86440782
  H     -3.22042151     -0.68220567     -3.67530756
  O     -0.06333364     -3.39135856     -2.29634659
  H     -1.12908991     -0.71670968     -1.56350925
  H     -4.51970166     -0.10517284     -3.06676394
  O      0.18992220     -0.36832536     -6.68072217
  H     -2.55821777     -1.26034025     -1.68695429
  H      4.47224745     -0.08189736     -4.62311414
  O      4.40485418     -4.33533851     -7.24980261
  H      3.36079443     -0.07731640     -2.73248987
  H      4.62445469     -0.14048069     -6.18450719
  O      0.15232653      0.21498285     -2.70679282
  H      3.12890588      1.32557153     -3.31686934
  H      5.14770547     -3.71496286     -5.59759498
  O      4.12394451     -3.72921434     -2.39077522
  H     -0.70719190     -2.84906130     -1.81768117
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  O      1.94643170      1.76638336     -6.47305830
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  H      0.41548344     -1.58509882     -8.08146822
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  H      0.85821827     -0.88168289     -6.19791832
  H      0.23725015     -3.10330484     -8.17865928
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  O     -4.09241328     -3.59922787     -3.68082410
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  H     -1.58984697     -1.62298913     -4.70060956
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  H     -1.04158177     -0.35343508     -3.97596464
  O      5.32255281     -3.26729951     -4.76225308
  H      0.56985370      1.01263488     -3.05794305
  H      2.50047207     -2.11205134     -8.62697159
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  H      3.85256137     -2.71083483     -8.16328685
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  H      4.59019764     -3.59802256     -3.23705864
  H      1.95497834     -4.91377722     -5.05914148
  O     -1.69628746     -0.66358976     -4.61946703
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  H      1.15017974     -4.65743539     -6.38049275
  O      3.44426610     -1.91864070     -8.52733421
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  H     -0.94209079     -4.09717114     -6.20293472
  O     -0.55925026     -4.46042501     -7.01960862
  H      2.89971455     -2.35400415     -2.37462642
  H     -1.18376244     -5.09874175     -7.35503174
          69
 Energy    -248.44288336359458     
  O      1.38004980      1.56268493      4.70945640
  H      0.81315577      2.34064889      4.64435159
  H     -3.43227838      2.82578052     -0.06568740
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  H      0.87800686      0.89917814      5.19826430
  H     -3.45498057     -0.25636020      5.18630089
  O     -0.21817697     -0.57722215      5.79818031
  H      0.16985990      0.01554879     -2.47811423
  H     -2.52449726      0.51315967      4.21942580
  O     -0.75262351      0.29386971     -0.91784037
  H      0.63633955     -0.92622693     -3.60062980
  H     -0.07192206      2.77443390      1.22844788
  O      2.52124174     -1.39812311      0.11960699
  H     -1.12389877     -0.23638796      5.69713323
  H     -0.59299510      3.38341428      2.57471472
  O     -4.91827220      3.22748085      2.96477318
  H     -0.16774877     -0.98752100      6.65765331
  H     -2.32370517      1.04638665     -1.26600411
  O     -2.95107453     -2.98658867      3.19090493
  H     -0.66654852     -0.56468354     -0.48010067
  H     -3.36536707      1.48398714     -2.32302347
  O     -0.35405623      3.81787279      4.35497956
  H     -0.13381061      0.88866027     -0.47291659
  H     -2.75897468      0.36347362      1.87182348
  O      2.90566000      0.85360381     -1.69513562
  H      2.53717955     -0.93896455      0.97006119
  H     -1.66968185      1.44288147      2.19818131
  O     -5.59381366      0.44206521      2.93121379
  H      2.76402638     -0.73105161     -0.53205774
  H      0.79092522     -1.99849493      0.17925279
  O     -4.81570120     -1.39339430      4.73346641
  H     -5.59975983      3.89429693      2.92864772
  H     -0.24705983     -2.07152142      1.32206847
  O     -3.42130190      3.40109877      0.70704428
  H     -4.41930966      3.29688778      2.13152826
  H      1.15043116     -0.51066398      2.60381991
  O     -2.70169230      0.34716481      5.15944063
  H     -2.08954640     -2.57975549      3.33076035
  H      1.87167439      0.69300043      3.22101988
  O     -0.86440693      3.03595230      1.71548869
  H     -3.57931190     -2.48739589      3.72649726
  H     -3.60518201      3.22896534      4.31333618
  O     -3.20260352      1.44528838     -1.38408384
  H     -0.13924944      4.67201604      4.72080703
  H     -2.90730803      2.21106724      5.23530435
  O     -2.04660989      0.60102900      2.48011111
  H     -1.27068835      3.62058575      4.61964432
  H      1.87192388      1.67553986     -0.33457206
  O     -0.15556545     -2.09878692      0.36119476
  H      3.66626599      1.12887653     -2.20017109
  H      1.47063454      1.24964724      1.10067592
  O      1.86307224      0.11843066      2.44074569
  H      2.23898150      0.54751576     -2.33322944
  H     -0.98965701     -0.74429136      2.84498494
  O     -2.89806934      3.13818664      4.96467356
  H     -5.19194902      0.17606475      2.09109046
  H     -0.23609915     -1.33722042      4.06690744
  O      1.22000753      1.82428064      0.36052333
  H     -5.43164355      1.38893654      3.01142899
  H     -3.04978753     -2.93418530      1.35638854
  O     -0.41761966     -1.47863455      3.12901968
  H     -5.17123556     -0.75048006      4.09149346
  H     -2.03138870     -2.66907049      0.22921427
  O     -2.97496843     -2.67919617      0.42372082
  H     -5.56463750     -1.80022293      5.15987539
  H     -3.93116094      0.32696174     -0.07162261
  O     -4.06859620     -0.20210038      0.72142045
  H     -2.50164715      3.41532696      1.00897992
  H     -3.75417293     -1.10167540      0.54028026
          69
 Ord_Energy   -248.442749    
 O    5.12407310E-02  -2.43512034      -1.73931122    
 H   0.466577232      -1.59546316      -2.00778961    
 H   -4.84232605E-02  -2.95550108      -2.53161764    
 O   -5.59726477      0.839259803      0.786306500    
 H   -5.30221891      0.260102510       1.51227319    
 H   -6.48747969      0.576015234      0.571894646    
 O   -1.24445915      0.246666595       4.33163023    
 H   -1.52759016     -0.481922925       3.76027727    
 H   -2.04379034      0.747573018       4.53443480    
 O   0.247259170       4.49801064     -0.365693003    
 H   0.253949583       5.38248014     -0.721827328    
 H  -0.347821802       4.50911903      0.405265719    
 O   -1.58109641      -1.18033957      0.150704056    
 H  -0.878731728     -0.607074738      0.500980437    
 H   -1.16889524      -1.71348989     -0.539015353    
 O   0.304328561      0.633385241      0.902800560    
 H   0.212216750       1.23706281       1.64944470    
 H   0.154055923       1.14578712       9.70947891E-02
 O   0.120265029      -3.49915791       3.12410593    
 H   0.562271833      -3.38939619       2.26303005    
 H   0.287480950      -4.39516878       3.40419912    
 O    3.51800036       1.03008306      -1.27777171    
 H    3.23185968       1.78846955     -0.737261355    
 H    4.33996439       1.28264213      -1.68922317    
 O   -4.63466167     -0.567464471       2.91921759    
 H   -4.41251707      0.108045101       3.57058096    
 H   -3.86900568      -1.15622163       2.88514352    
 O    2.73943257     -0.698894620      0.807053566    
 H    1.87833726     -0.258414686      0.886412144    
 H    3.18964696     -0.244872674       8.62483084E-02
 O   -1.36739910       4.32291555       1.78779900    
 H  -0.866925955       3.68718982       2.32326841    
 H   -2.27829671       4.01190615       1.80403388    
 O    4.86717410E-02   2.35367417       3.08025694    
 H   0.990243971       2.47999001       3.25756907    
 H  -0.291424662       1.63037264       3.62430429    
 O    3.23006845       9.31384936E-02   3.44339871    
 H    2.56603408     -0.400129020       3.94673204    
 H    3.21288419     -0.271234930       2.54879022    
 O   -3.00706911       1.11467469     -0.402856171    
 H   -3.94678760      0.995236814     -0.219936684    
 H   -2.58848739      0.255023330     -0.244578898    
 O    2.66899133       3.07966781      0.298415005    
 H    1.88757432       3.61178088      0.109723903    
 H    2.72624350       2.99289560       1.25775003    
 O    1.14414620      -1.27322519       4.65139008    
 H   0.353530377     -0.725278258       4.72664785    
 H   0.863529265      -2.07004762       4.18567181    
 O    2.80464053       2.70889139       3.15429974    
 H    3.38261390       3.20978212       3.72281504    
 H    3.02187085       1.76705658       3.28975725    
 O    1.10575759      -2.11215708E-02  -2.40633321    
 H    1.97028852      0.288490325      -2.11064744    
 H   0.494447052      0.707246542      -2.23132110    
 O    1.35186374      -3.10683703      0.739786327    
 H   0.919044197      -3.01741695     -0.116420314    
 H    1.97019684      -2.36420298      0.789927065    
 O   -2.14406228      -1.89007223       2.74136758    
 H   -1.46715510      -2.54304266       2.96053457    
 H   -2.03055716      -1.70255578       1.79778922    
 O  -0.543839693       2.01185870      -1.40705955    
 H  -0.332922012       2.92189431      -1.16327918    
 H   -1.46793795       1.84212279      -1.17763472    
 O   -3.64293337       1.70932543       4.39646196    
 H   -4.00506163       2.35652924       4.99659061    
 H   -3.59754634       2.13120103       3.52288008    
 O   -3.70884109       2.70480585       1.79766524    
 H   -3.15905547       2.24006391       1.14979494    
 H   -4.59604216       2.39252687       1.58406520    
          69
 Energy    -248.44272800546074     
  O     12.71401615     12.02417573    -14.96020898
  H     13.60592497     12.29125037    -15.20526117
  H     17.96292133      6.85659192    -13.66188900
  O     14.62130450      6.91707612    -13.18140355
  H     12.56571871     11.17484673    -15.40211938
  H     15.73316051     11.08919666    -16.97178151
  O     18.42747192     10.22081680    -12.63154097
  H     15.49722302      6.52240959    -13.12479497
  H     16.47597727      9.76654518    -17.29056682
  O     17.22905214      8.34028194    -16.33509088
  H     14.75198841      7.73716893    -13.68433022
  H     14.28588092      9.32296110    -15.20255951
  O     12.23433787      7.10932337    -14.64710597
  H     17.57202443     10.64836790    -12.76841364
  H     15.78159319      8.87355330    -15.31850528
  O     15.89216804      9.88346074     -9.08903918
  H     18.44943417      9.94319374    -11.70659064
  H     12.09228042     11.77396971    -13.35442589
  O     13.38553874      7.95909092    -10.95671566
  H     17.95361380      8.39189705    -15.69723336
  H     11.04309877     12.16604147    -12.28996437
  O     15.84317903     11.17877143    -13.10267115
  H     17.00482800      7.40365039    -16.40930055
  H     17.31730993      6.41432856    -11.53054576
  O     13.94602163      6.37269203    -16.83595129
  H     13.02437944      6.84028837    -14.15762189
  H     17.71565914      7.50679947    -10.50421592
  O     15.12139178      7.12222962     -8.92749241
  H     11.70176788      7.59807572    -13.99970228
  H     11.81801493      8.38474659    -11.92655039
  O     16.45040712      5.62484148    -16.13599520
  H     15.24922751     10.30785027     -9.67176419
  H     11.29664640      9.64554311    -12.62843274
  O     17.32676669      6.15784361    -13.45814299
  H     15.54417837      9.00370193     -8.89457313
  H     18.88613399      8.98244866    -13.69079528
  O     15.83300922     10.39992098    -17.63888506
  H     13.82661896      7.54123167    -11.71185840
  H     20.05258536      8.17520452    -14.31266661
  O     15.08571703      9.12623277    -14.69891679
  H     13.82650258      7.61833325    -10.17004466
  H     17.49551988      9.55178433     -9.66303341
  O     11.74998149     11.55191172    -12.47063986
  H     15.26959604     11.14061606    -12.32718155
  H     18.99369214      9.39875013     -9.31413509
  O     17.21855215      6.68547578    -10.61148551
  H     15.59055526     10.41267206    -13.64395315
  H     14.55577790      9.36764459    -18.24116697
  O     11.22366211      8.68469306    -12.62808691
  H     13.90199377      7.11208877    -17.45467548
  H     13.62234258      8.87730006    -19.37478238
  O     19.10188311      8.23093244    -14.27317237
  H     13.24381975      6.51232008    -16.18900927
  H     13.23114400     11.09483225    -11.43813021
  O     18.35566085      9.25003811    -10.00711763
  H     15.85015151      6.88032664     -9.52727510
  H     13.81797308      9.72952875    -11.03452657
  O     13.83410891      8.74902031    -18.45415539
  H     15.11288732      6.47460006     -8.22826203
  H     15.69750865     12.09708359    -14.65476443
  O     14.01350794     10.67834231    -11.05493069
  H     15.52262975      5.83356943    -16.34743819
  H     15.95916254     13.28066092    -15.60889997
  O     15.52239291     12.43386319    -15.54920214
  H     16.68175790      4.86338848    -16.66182783
  H     12.36797429      8.67164188    -15.60141083
  O     12.63370689      9.48892445    -16.04560946
  H     17.03809413      5.82377199    -14.31768527
  H     12.88919602      9.26394161    -16.94882290
          69
 Energy    -248.44256966769910     
  O     -7.54142201     -2.37647771      6.55074560
  H     -8.30852190     -1.80070167      6.64809817
  H     -8.15819525     -0.92249658      3.82768541
  O     -8.88563925     -3.46934540      2.49413674
  H     -6.76718889     -1.85507878      6.79606873
  H     -4.63601748     -0.80141691      6.32431248
  O     -7.09846790     -4.24288836      4.61988031
  H     -9.42496090     -2.82181581      2.97072032
  H     -4.63142148     -0.85834169      7.87123114
  O     -5.04696672      0.23071961      0.63630613
  H     -8.31493056     -3.86113994      3.16415242
  H     -2.98462414      4.24366307      2.38932591
  O     -6.71035351      1.15231547      5.80389059
  H     -7.29681012     -3.60587197      5.32980355
  H     -1.80147600      3.99406964      1.42484604
  O     -9.89976976     -0.67946024      6.65270478
  H     -7.06007925     -5.10361714      5.02804356
  H    -10.01612327      4.17480175      3.32186620
  O     -3.77904062     -0.81128350      4.82376872
  H     -4.91681303     -0.71346100      0.48873842
  H     -8.75058535      3.39711078      2.91286285
  O     -5.07102214      3.09325533      0.22099914
  H     -5.99594258      0.34504063      0.78130141
  H    -10.31113849      1.70102618      2.76288032
  O     -9.95717543     -1.36732539      3.93452862
  H     -6.19459207      0.61004777      6.41154219
  H     -9.69959887      0.72655007      1.76057557
  O     -5.14767078     -2.60144847      0.49078127
  H     -6.91973954      0.58091533      5.04681278
  H     -5.24666749     -2.65902185      2.35403829
  O     -3.60710845      1.21394036      2.82061781
  H    -10.56122807     -0.71320506      7.33886968
  H     -5.86829565     -3.23971797      3.67601167
  O     -7.29226096     -0.51477936      3.68739289
  H     -9.76805995      0.26113908      6.43817022
  H     -8.22254344     -2.63944683      1.05385611
  O     -5.20701117     -0.78800329      7.11492635
  H     -3.58636282     -0.08860408      4.21501231
  H     -7.98449568     -1.21101739      0.48997954
  O     -2.64642291      3.64738867      1.69897959
  H     -4.22321547     -1.48736456      4.29179771
  H     -8.40042420      1.75084510      6.00474962
  O     -9.56674507      3.33989083      3.43483897
  H     -4.24043495      3.38465058      0.61627653
  H     -9.49849149      2.40718492      5.14923346
  O    -10.44927782      0.83658375      2.35706702
  H     -4.98411074      2.13588330      0.13386465
  H     -4.42818047      4.38276344      3.98291646
  O     -5.35471349     -2.51176250      3.30159915
  H    -10.09377787     -1.18799183      4.87176236
  H     -4.20856668      5.90698569      3.98177270
  O     -7.77898394     -2.13985436      0.34959974
  H    -10.27686085     -0.60330862      3.43122130
  H     -4.79057813      2.25792318      3.71350016
  O     -9.35791094      1.89102341      5.94972917
  H     -6.11010674     -2.49913243      0.36196146
  H     -5.84340738      2.38034830      4.84538582
  O     -3.81694225      5.08384092      3.70212976
  H     -4.84633571     -3.23493847     -0.15397996
  H     -7.63836774      1.59341873      1.40988741
  O     -5.39828938      2.87584626      4.14592921
  H     -3.10548128      1.95098631      2.45093267
  H     -7.60892904      0.23258131      2.13995028
  O     -7.77353032      0.64599489      1.27524270
  H     -4.08747741      0.81352922      2.08145852
  H     -6.60449765      3.15991190      2.81641361
  O     -7.15710363      3.27774865      2.02975535
  H     -6.63916830     -1.21429081      3.55746968
  H     -6.53205137      3.38088651      1.29753606
          69
 Energy    -248.44243043062198     
  O     16.74737042     10.02650451    -16.76993293
  H     15.96918645     10.56697069    -16.59835662
  H     16.82668029      5.50109509    -16.29358770
  O     15.22186248      5.32286849    -13.20582921
  H     16.78710833      9.39083692    -16.03802399
  H     18.08261224      5.20331472    -11.25378853
  O     18.44062534     13.45384276    -11.15752658
  H     15.48206367      5.28817322    -14.13859588
  H     17.62215026      6.65003442    -11.51145116
  O     19.74367861      8.51637783    -14.35976033
  H     16.04137759      5.43221001    -12.71082936
  H     17.90584904      8.17035157    -14.58531358
  O     14.41204266      6.93267829    -17.76088354
  H     18.98405019     12.90144820    -10.58163784
  H     16.70069045      7.28442829    -15.06339653
  O     17.14553485     10.46782143     -9.21576889
  H     17.52656964     13.27941708    -10.89875937
  H     13.95528865     10.33258745    -15.78976870
  O     15.27609152      8.89028015    -12.72239391
  H     19.78149356      8.88486355    -13.46791866
  H     13.70564733     11.75259279    -16.35132501
  O     18.19698509     11.88327438    -13.41225034
  H     19.72811041      9.27200904    -14.96631478
  H     16.46852919      8.47980128    -11.46775337
  O     19.30633188      5.82673085    -14.43579998
  H     15.27608038      7.25243704    -18.07914479
  H     17.16346672      8.93796009    -10.16157269
  O     13.21268198      7.12355729    -13.33152101
  H     13.94565348      6.59319643    -18.51991339
  H     13.70619161      8.09118354    -16.45704858
  O     18.50625399      5.67199660    -17.02286301
  H     18.04549137     10.81650707     -9.19578167
  H     13.28251404      8.12966916    -14.96909009
  O     16.00214971      5.67099854    -15.81915481
  H     16.61212501     11.14782235     -9.64558465
  H     20.69568467     11.30381381     -9.34696187
  O     17.76736463      5.79007408    -11.93850095
  H     14.47639151      8.35875261    -12.80712468
  H     19.78882033     10.80176953    -10.49297350
  O     16.95109817      8.15530823    -14.73232502
  H     15.85909495      8.63716354    -13.45743127
  H     18.60948997      9.25973473    -11.58517988
  O     14.32281946     11.23407094    -15.84170691
  H     18.37274839     12.55899398    -12.74118109
  H     18.91511164     10.51264721    -12.46769737
  O     17.21280033      8.28803219    -10.87814427
  H     17.23811992     11.78484078    -13.46075491
  H     14.99760440     13.04632660    -10.38238260
  O     13.41243863      8.67949562    -15.75020240
  H     18.79087344      5.72734093    -13.62822933
  H     15.56137515     12.26421947    -11.58675877
  O     19.82062693     11.38648220     -9.71689684
  H     19.65947748      6.72988239    -14.41155115
  H     17.57614130      7.17903877    -17.97628762
  O     19.32236841      9.81365993    -11.93219702
  H     12.42575455      6.79632293    -12.90469051
  H     16.96302020      8.60831704    -17.95135196
  O     15.75281442     12.54222623    -10.67654765
  H     13.88613216      6.42269291    -13.25629017
  H     15.00083711     11.61757358    -14.12928257
  O     16.91398068      7.74566495    -18.38778704
  H     18.86028567      5.69229062    -16.11537960
  H     15.30907078     10.63013108    -12.98644216
  O     15.38932119     11.56079191    -13.24838713
  H     19.07663023      5.09343358    -17.52223028
  H     19.00440203     11.32051087    -15.01956449
  O     19.29075408     10.80768716    -15.78839618
  H     15.36754996      6.00337289    -16.46652159
  H     18.48829422     10.65772987    -16.30396214
          69
 Ord_Energy   -248.442352    
 O   -2.27156258      -5.23364162       3.90349722    
 H   -1.99084210      -4.80743122       3.08144712    
 H   -3.18996525      -5.49120235       3.76007509    
 O   -5.03918695      -5.69657993       3.26619864    
 H   -5.55336475      -6.48901272       3.14216447    
 H   -5.12993097      -5.17147064       2.44813681    
 O  -0.943565369       2.64193392       5.14305210    
 H   -1.14827657       3.43311405       5.63562441    
 H   -1.60468662       1.98453224       5.40838623    
 O  -0.170137405       1.91179609       2.55398560    
 H  -0.393752307       2.25228381       3.43185878    
 H   0.331478208       1.10322011       2.70775771    
 O   -5.29126692      -3.33006096       4.71728277    
 H   -5.36986971      -4.20830107       4.32839012    
 H   -4.61348391      -2.87316704       4.19615126    
 O   -1.06499636      -1.41107118       4.84358883    
 H   -1.59906936     -0.719044149       5.25802755    
 H   -1.12286651      -2.21763134       5.37320280    
 O   -5.22268105      -4.17693567       1.06264663    
 H   -5.50125122      -3.25030279       1.02525783    
 H   -4.61613083      -4.30827379      0.325321347    
 O   -4.11910105      0.201270163     -0.722935915    
 H   -3.47746062      0.581546783      -9.86585915E-02
 H   -4.40077257      0.913825870      -1.29158962    
 O   -3.28943229      -2.08124614       3.24314213    
 H   -2.49932909      -1.88550818       3.76387095    
 H   -3.01328921      -2.69911337       2.55609417    
 O   -1.82601154      -3.78936815       1.54910207    
 H   -1.37707639      -2.96894550       1.30222058    
 H   -2.25405455      -4.12346125      0.751427948    
 O   -4.14708662      0.507383287       3.20566750    
 H   -5.10210323      0.588971674       3.10187197    
 H   -3.93982792     -0.438392609       3.12399220    
 O   -2.35470819       1.01904762       1.19277740    
 H   -2.99713254      0.931682348       1.91184521    
 H   -1.57864702       1.46017969       1.56900227    
 O   -1.38885880      -3.89565778       6.08028793    
 H  -0.786193550      -4.46321774       6.55309486    
 H   -1.71076787      -4.40677214       5.31479311    
 O   -3.15560150      -4.42323303     -0.868185639    
 H   -2.90349388      -3.53140569      -1.16800392    
 H   -2.97336817      -5.01759672      -1.59048545    
 O   -2.81358600      0.632688940       5.63102293    
 H   -3.30762959      0.687107325       4.79901123    
 H   -3.44153714      0.357384712       6.31012297    
 O  -0.770953476      -1.29941165      0.846153438    
 H   -1.36262679     -0.543185294      0.966436982    
 H   -5.08784689E-02  -1.16396070       1.47406662    
 O   -5.85137558      -1.48690796      0.880905330    
 H   -5.31355000     -0.906540096      0.329920441    
 H   -6.27646923     -0.924270272       1.53757882    
 O   0.895885587     -0.734951377       3.03640318    
 H    1.75152636     -0.962483227       3.39055347    
 H   0.238546669     -0.978621364       3.71035385    
 O   -4.70768929     -0.398488730       7.40906429    
 H   -4.96555758     -0.232562602       8.31178379    
 H   -4.39106369      -1.32019317       7.37301111    
 O   -6.90717745      0.255585909       2.94587564    
 H   -6.89946699     -0.188493103       3.81359315    
 H   -7.72340870      0.744769871       2.89572239    
 O   -3.87978768      -2.94123745       7.08028698    
 H   -3.00434160      -3.28764606       6.87642241    
 H   -4.43542290      -3.18915772       6.32686853    
 O   -2.34677505      -1.90627861      -1.44571173    
 H   -1.64429915      -1.70721436     -0.813132942    
 H   -3.00791740      -1.21304309      -1.32588065    
 O   -6.65797234     -0.992710173       5.32761860    
 H   -6.33107042      -1.87946117       5.11580849    
 H   -6.09916449     -0.676488161       6.04548883    
          69
 Energy    -248.44230916328203     
  O     11.84810814     10.71311391    -14.78985499
  H     12.38738232     10.91096171    -14.01178032
  H     15.51227152      5.44301922    -15.10456803
  O     14.33680072      6.65668940    -17.87084740
  H     12.43587976     10.30993809    -15.43950465
  H     15.80033106      7.98912540     -9.93834159
  O     13.92667676      6.01079883    -11.46223531
  H     13.65482909      6.32182088    -18.44847111
  H     15.40070317      6.69687140    -10.69065533
  O     18.24966624      5.50450683    -11.09690438
  H     14.02329453      7.51844915    -17.56008900
  H     14.49191316      8.24831332    -13.69364995
  O      9.88032861      9.00535111    -14.02685114
  H     13.03067048      5.69391742    -11.30522914
  H     13.52370150      9.07120226    -12.80916363
  O     13.49974297      8.95358458    -16.43096171
  H     13.83771630      6.82622335    -11.98392078
  H     10.68579588      4.58100370    -11.18614233
  O     14.98296463      9.53418057     -9.47699149
  H     18.80384819      6.08758843    -11.62851375
  H     11.43652410      4.96286392    -12.48326324
  O     19.51934002      7.23172043    -13.04791195
  H     17.56660672      6.06904967    -10.70888793
  H     10.35754241      8.38123672    -12.29659994
  O     11.87955066      7.23079184    -14.89310716
  H      9.02638143      9.29622773    -14.33469264
  H     10.81637880      7.13347577    -11.49779402
  O     17.38296011      3.53929894    -12.76085784
  H     10.52439880      9.68320451    -14.30193321
  H     15.69423847      4.06637866    -13.36688457
  O     18.49472769      5.34855861    -14.69424157
  H     12.92010144      8.31853558    -15.98217766
  H     14.59156753      5.02113213    -12.86189600
  O     15.99690288      5.95625549    -15.76642586
  H     14.33491337      8.96711359    -15.94149433
  H     11.96817647      5.41271807    -14.52533142
  O     16.16070858      7.23097710    -10.42012234
  H     14.02559885      9.57809352     -9.59068111
  H     13.01407294      4.37635784    -14.05540566
  O     13.74442820      8.17394733    -13.08447292
  H     15.35003455     10.18521380    -10.08656348
  H     11.61407294     10.26050656     -9.38571826
  O     11.20289376      5.27281254    -11.59004805
  H     20.44849479      7.35297959    -13.22218898
  H     11.65282505      9.19842369    -10.50673449
  O     10.70572968      8.09016762    -11.44489906
  H     19.19286295      6.58558600    -13.70081123
  H     15.98253427      7.64704130    -15.18704668
  O     14.88705348      4.52263337    -13.63686462
  H     11.05824349      7.70407749    -14.71118914
  H     16.41858932      8.68338470    -14.10678959
  O     12.06687080      4.56250833    -14.07354371
  H     12.49563656      7.50424822    -14.19478161
  H     14.25902859     11.05772042    -12.20460841
  O     12.18008061      9.87968603    -10.05235563
  H     17.69081496      2.68843902    -12.46048665
  H     12.89207483     10.67883621    -11.56238868
  O     15.81469254      8.53912214    -14.84614243
  H     17.67355937      4.19251884    -12.09899188
  H     16.65462528     11.84547212    -11.64624680
  O     13.33391550     10.86288708    -12.40286824
  H     18.21328405      4.61945032    -14.12821924
  H     16.55162006     10.34317948    -11.99034062
  O     16.04820113     11.10922587    -11.66833528
  H     17.71654620      5.57776089    -15.22081082
  H     18.12455806      8.35969456    -12.67880568
  O     17.27739949      8.77325568    -12.46851978
  H     15.44021823      6.05798155    -16.55033101
  H     16.85756640      8.21427154    -11.79760806
          69
 Energy    -248.44187239632834     
  O      1.18819663     -1.16144924      5.36568231
  H      1.79247925     -1.32746635      6.08529842
  H     -6.31166264     -0.92869671      3.94428185
  O      1.80741906     -0.33867565     -2.59253858
  H      0.82208937     -0.27067677      5.51103290
  H     -2.70223500     -1.10959749      5.37940633
  O     -1.46076134     -2.31764913      5.63845268
  H      1.87945250     -1.29119393     -2.45221756
  H     -3.10907435      0.40995374      5.41207210
  O     -0.53432846      0.09002120     -1.05102114
  H      0.92955506     -0.09555489     -2.26864926
  H      0.24558756      1.85275516      2.17241084
  O      2.00848302     -3.04586577     -1.64292857
  H     -1.62367363     -3.06049134      5.04279283
  H     -1.04472209      2.54440449      2.78854296
  O      3.41122360     -1.87368633      0.37922226
  H     -0.54855037     -2.03731037      5.50184380
  H     -2.33286976     -0.43104327      3.45430868
  O     -2.85204613      3.23188738      3.17938945
  H      0.04077002      0.38874628     -0.33297970
  H     -1.18138761      0.40565835      2.83924881
  O     -4.13103589     -3.08954198      2.38822309
  H     -0.61330681     -0.87264779     -0.96410102
  H     -0.57711159     -2.78941637      0.24010845
  O      0.10979416      1.31154307      5.60612800
  H      2.53306418     -2.70292233     -0.89762224
  H      0.21929050     -2.93070322     -1.08631541
  O      3.45929671      0.77635825     -0.74958338
  H      2.48454081     -3.79397477     -1.99333147
  H      1.01106627     -1.93166560      2.35914040
  O     -4.64876225      1.57451221      2.04711721
  H      2.95788875     -1.76622042      1.22574181
  H      1.69071081     -1.24174729      3.55303492
  O     -5.50870953     -0.77236548      3.45294405
  H      3.59313828     -0.98128795      0.05976237
  H     -2.71232749      2.59725084      4.90778014
  O     -3.33017980     -0.45172661      5.04070592
  H     -3.06956429      4.11506487      2.89257999
  H     -3.07567447      2.77486952      6.39804898
  O     -0.25926810      2.02027380      2.98036190
  H     -3.51572048      2.64078005      2.77891021
  H      2.04285730      1.01668417      0.43861855
  O     -1.76044262     -0.35003679      2.68197325
  H     -3.93701060     -2.94624422      1.44939646
  H      1.43067494      0.14581682      1.56553209
  O     -0.63868387     -2.68311135     -0.72130875
  H     -4.67575485     -2.34919309      2.67199124
  H     -2.89806549     -3.89318194      3.25828618
  O      1.74301033     -1.34177115      2.59543669
  H      0.14315301      1.63163245      4.69169122
  H     -2.33121098     -5.22676526      3.80460115
  O     -2.65137072      2.18153420      5.78256578
  H     -0.76389270      1.57090180      5.91441590
  H     -1.01425949     -1.90729418      2.23625455
  O      1.25636819      0.90281153      0.98628817
  H      4.13370450      1.33343635     -1.12751821
  H     -0.97322018     -3.41755870      2.56180815
  O     -2.13158119     -4.30037672      3.70562564
  H      2.92675994      0.43350354     -1.49033563
  H     -2.57881525     -2.68607685     -0.54646452
  O     -0.54434692     -2.73274960      2.03603315
  H     -5.05736708      0.81914847      2.48555882
  H     -3.46951484     -1.49656195     -0.17236819
  O     -3.45801224     -2.46134332     -0.21942585
  H     -4.19592488      1.21395521      1.27012129
  H     -2.60743162      0.03469861      1.10668535
  O     -2.98890703      0.30693360      0.25735361
  H     -4.79141497     -0.68633785      4.10565229
  H     -2.24048150      0.39605477     -0.34590831
          69
 Energy    -248.44183887814285     
  O     16.43835938     10.17447923    -11.38872413
  H     16.69610368     11.01298975    -10.98080516
  H     17.67553934      5.35289802    -12.74001761
  O     13.99434218      5.89239631     -7.79102811
  H     16.33357526      9.54036623    -10.66237904
  H     15.05169533      5.77713155    -10.69839251
  O     17.26878783     12.29923994     -9.89275325
  H     14.67134027      5.65704937     -8.44045435
  H     16.58202390      5.68882304    -10.40473171
  O     11.96965800      6.53752791     -9.72102681
  H     13.19536134      6.04953350     -8.30713572
  H     18.42581508      8.06394846    -15.48890676
  O     14.12386047      9.03289112    -12.37940938
  H     16.76000014     12.30382152     -9.07221900
  H     18.13418532      8.12697584    -13.97212056
  O     18.50119927      8.65306263    -12.34921816
  H     18.17875444     12.10296677     -9.63803141
  H     17.49034732     11.27269627     -6.86319230
  O     20.24045721      9.07269679    -10.29732581
  H     11.08405939      6.24172049     -9.91561485
  H     18.04092708      9.83515088     -6.79756276
  O     18.20288203      6.15761485    -11.06369641
  H     12.50592015      6.36187925    -10.51366212
  H     14.74207518      6.96145445    -14.71321512
  O     15.90391118     12.13938548     -7.36588883
  H     14.90831348      9.52964446    -12.10428305
  H     15.90532131      7.95129475    -14.84764177
  O     13.15226698      9.11446936     -9.69603492
  H     14.29933904      8.75554769    -13.29097519
  H     15.85014863      7.42976177     -9.62808917
  O     14.06669624     10.14180728     -7.22749815
  H     19.22508019      8.83857467    -11.73273388
  H     14.94399280      8.65621598     -9.35827963
  O     17.28436825      5.24212086    -13.61445989
  H     17.77449973      9.24553958    -12.10801032
  H     19.35740790     11.22391595     -8.06535816
  O     15.70611561      5.65088086     -9.99713213
  H     20.06067895      8.37971308     -9.65208299
  H     20.52011994     12.09443357     -8.59871090
  O     17.82518730      7.75370860    -14.81632017
  H     20.14286258      9.91289216     -9.83035870
  H     14.53193220      7.00717511     -6.56703182
  O     18.30516865     10.76309325     -6.76082150
  H     18.25522990      7.00982214    -11.52007677
  H     14.53399707      7.41245644     -5.07487909
  O     14.94502843      7.90284728    -14.76063511
  H     18.68288312      6.27352395    -10.23475370
  H     13.88101298      7.25633951    -12.00850890
  O     15.86531542      8.37272626     -9.41859198
  H     15.23140269     11.43775596     -7.32362718
  H     13.91734293      5.82824011    -12.63349554
  O     19.83936600     11.48434838     -8.87077401
  H     15.51852263     12.90731865     -6.95153813
  H     19.98731409      6.41270136     -7.99727424
  O     14.85421102      7.67385608     -5.93417505
  H     12.63121014      8.30458038     -9.62485364
  H     18.71228083      7.28189671     -8.00467892
  O     13.70665191      6.32025296    -11.82974386
  H     13.32391472      9.24873117    -10.63790648
  H     16.89343169      8.34159135     -7.98775603
  O     19.39752008      6.89432243     -8.57278370
  H     13.59885507      9.88996067     -8.03392154
  H     16.65347703      7.90793877     -6.54298576
  O     17.35841230      8.13187992     -7.16125158
  H     14.29303136      9.32513951     -6.76640134
  H     14.44388051      4.33666145    -14.69036570
  O     14.63226069      5.08663711    -14.13336673
  H     17.54578657      6.02395533    -14.11979535
  H     15.58627244      5.05905806    -13.93601083
          69
 Energy    -248.44178562882132     
  O     11.44824039     12.27583214    -12.47716948
  H     10.77751352     11.66019676    -12.18873075
  H     17.73446618     12.39339475    -15.22801759
  O     17.34594121     11.62090167    -11.99971084
  H     11.97091719     12.48636921    -11.68882237
  H     12.67566663      6.72143004    -14.80386425
  O     13.23077961      7.48347552    -11.78973881
  H     17.88862025     11.65167490    -12.79941265
  H     13.18671181      7.46716559    -13.55221958
  O     17.40449835      6.70922716    -12.16228737
  H     17.60003480     10.81184680    -11.53599882
  H     15.86603415     10.88106082    -12.72829149
  O     15.38637104      6.19490879    -10.39584241
  H     13.23667695      8.33697811    -11.33731849
  H     14.53471561     10.90655459    -13.55489279
  O     19.51569335      5.49177158    -13.38912218
  H     13.89464934      6.95265833    -11.33246498
  H     13.50962358      9.01498423    -15.64316331
  O     13.33524338     11.94876026    -14.46025390
  H     18.13172426      6.19672102    -12.54193164
  H     13.46015688     10.56066430    -15.64955189
  O     17.91664075      9.11850397    -15.67216407
  H     16.89864089      7.09522699    -12.89283214
  H     15.76903119      7.88320539     -9.50003736
  O     18.14183225      9.12486250    -10.95369695
  H     16.13646213      6.29804785    -11.00667747
  H     15.20696073      9.29794102     -9.64367276
  O     16.09219219     10.52603163    -17.28163643
  H     15.48288561      5.33908817     -9.98610856
  H     19.69197183      9.55255539    -11.79627248
  O     20.20100496      7.87424766    -14.53167986
  H     19.82697604      6.29047587    -13.84936784
  H     21.18900223      9.92678533    -11.81170694
  O     16.94575548     12.73139886    -15.66939140
  H     20.00199800      4.76352227    -13.76437913
  H     15.77013506     13.70130953    -14.87157364
  O     13.25173647      7.42761191    -14.52339120
  H     13.82875883     12.77699863    -14.50543757
  H     14.99521534     15.03958906    -14.80369950
  O     15.12179419     10.34551438    -13.03232332
  H     12.61087044     12.07486549    -13.83089118
  H     15.25081567     13.85891760    -12.55150780
  O     13.72331383      9.79026274    -16.17358429
  H     17.40178972      9.55437891    -16.36212604
  H     16.12637067     12.97829829    -11.63656673
  O     15.97078008      8.80783869     -9.31135587
  H     17.26965996      8.63514218    -15.13749708
  H     13.07680827     13.25626267     -9.49864326
  O     20.43413953      9.78563267    -12.37795387
  H     17.48689887      9.12273121    -10.23964799
  H     13.95580677     13.07070342    -10.75814290
  O     15.05345151     14.17344831    -14.40956731
  H     17.98756696      8.29306638    -11.42295166
  H     18.58690186     10.54158714    -14.75922458
  O     15.35368537     13.55875550    -11.64012910
  H     15.24625168     10.22521256    -16.90445001
  H     19.61593298     10.93018543    -13.68012636
  O     13.15559152     12.75022817    -10.30254356
  H     15.96782804     10.57434750    -18.22588533
  H     14.25036128     10.09070631    -11.48552190
  O     18.93696789     11.29552559    -14.26008000
  H     19.49194680      8.25921191    -15.06306136
  H     13.49971780     10.88918564    -10.40027524
  O     13.78052179     10.00028869    -10.64162917
  H     20.37995338      8.50474103    -13.82388955
  H     15.69999586      8.82529318    -13.69668466
  O     15.95405289      7.98083378    -14.10320836
  H     16.64104690     12.02863578    -16.25694502
  H     15.12401536      7.58569997    -14.39203504
          69
 Energy    -248.44170070818001     
  O     16.58098923      5.67128004    -16.04430519
  H     16.44846605      6.63122284    -16.04961970
  H     17.76696888      5.89970123    -13.11166731
  O     17.77897528      5.75835844     -9.72397883
  H     15.73571068      5.30215473    -15.76495357
  H     18.50396977     10.39553778    -15.01354594
  O     13.91854737     11.13250848    -10.02343440
  H     18.49352923      5.15031718     -9.55170088
  H     18.03992660     11.75269046    -14.45970940
  O     18.53092131      8.61562424    -14.25210624
  H     17.64632285      5.77495624    -10.68779240
  H     16.75214233     11.12096940    -16.28800813
  O     18.85138990      5.78137118    -14.59270965
  H     13.59043911     12.01547347     -9.87087305
  H     16.02951769     11.27551163    -17.64899488
  O     12.26315397      8.78993836     -9.87528241
  H     14.34794058     11.14437919    -10.89460401
  H     16.53462464      8.55951007    -11.14197143
  O     14.96952514      5.34550368     -9.39849379
  H     17.63073637      8.57004211    -14.60928635
  H     15.78724709      9.38350812    -12.22025743
  O     13.42738733      7.51793354    -11.99243934
  H     18.89423498      7.73389937    -14.38284504
  H     13.36886318      4.30375607    -15.26117567
  O     18.91918137     10.08581730    -11.84135195
  H     18.08111178      5.65917779    -15.17829229
  H     14.13302807      4.89579382    -14.05893632
  O     13.75277039      7.31031454     -7.95246338
  H     19.53660260      5.20243762    -14.91393742
  H     14.96240362      8.74952631     -8.13737189
  O     16.10679966      8.36321013    -15.60059457
  H     12.67045030      8.29032685     -9.15522377
  H     15.02804345     10.10569132     -8.86693129
  O     17.15219718      6.00592087    -12.37664085
  H     12.72904541      9.63502655     -9.90856851
  H     15.46062289      5.25673085    -12.35019185
  O     18.16502335     11.25957603    -15.28019302
  H     15.93055168      5.43636588     -9.40158964
  H     14.03320218      5.84555246    -12.14398784
  O     15.93851327     10.90144498    -16.77724445
  H     14.72402222      5.06645557    -10.28682216
  H     18.09548314     13.11518020    -12.29890454
  O     15.99378680      8.48276854    -11.93992639
  H     12.88518791      7.91920160    -11.30096648
  H     18.19572563     11.56885412    -12.31469083
  O     13.97791747      4.99509761    -15.01243382
  H     14.32675998      7.86277822    -11.88283344
  H     17.82828095      7.67303435     -9.57828472
  O     15.55768266      9.47548092     -8.36317188
  H     18.62492652      9.60094316    -11.05959060
  H     17.03046639      8.95078001     -9.16234893
  O     14.52407918      5.01893634    -12.28515837
  H     18.81890091      9.49166703    -12.59758086
  H     14.71144409     11.04779889    -13.28688024
  O     17.71572033     12.33243399    -12.68799019
  H     13.44543864      6.92311105     -7.13688382
  H     16.01090769     11.61020143    -12.59098050
  O     17.71752811      8.61284349     -9.75969151
  H     14.15245565      6.58906528     -8.46863765
  H     13.53356417      6.92724694    -15.00503078
  O     15.20587995     11.09578898    -12.45485117
  H     16.04835845      9.16455072    -16.13457465
  H     13.36811760      7.80768900    -13.75719803
  O     13.51620403      7.84607447    -14.71455128
  H     15.23485781      8.22814264    -15.20513116
  H     13.55500630      9.81294345    -14.88181899
  O     13.86422199     10.72421324    -14.81082577
  H     16.81511239      6.91482512    -12.39345434
  H     14.47148371     10.86466249    -15.54852060
          69
 Energy    -248.44158296345816     
  O     12.17041998     10.86130275    -15.22246229
  H     12.64570505     10.12197967    -15.63060590
  H     15.94374272     10.80328404    -17.40672969
  O     16.61621217      6.77374037    -13.70359815
  H     12.80367622     11.58470303    -15.18266692
  H     16.17161800      8.46949886    -14.12554644
  O     17.26461228     10.64987132    -11.29677214
  H     17.27636274      7.12490840    -13.08716532
  H     16.67653268      9.75686840    -14.84361742
  O     18.05558270     10.71494607    -15.54853694
  H     15.78936932      6.67640649    -13.20952215
  H     11.37312775      9.98911129    -13.93903667
  O     14.13870634      8.78989177     -9.02131340
  H     17.05538825     10.50036240    -10.36611109
  H     10.09383736      9.58337687    -13.16806430
  O     14.29417697      6.87156089    -12.19478352
  H     16.46084784     10.97277508    -11.72577623
  H     17.82429700      7.43967560    -10.31808575
  O     14.98968723     11.28568123    -12.79010353
  H     18.42521582     11.15688995    -14.76824464
  H     17.25315943      8.14876219     -9.07878500
  O     17.28186022      6.82478427    -16.40754830
  H     17.53187592     11.33134140    -16.06780580
  H     12.95478394      6.78478868    -13.55533114
  O     14.96901328      6.09071003     -9.58677687
  H     13.73844202      9.07223368     -9.85582527
  H     11.77101406      7.71373813    -13.88508616
  O     19.56348059      8.41631177    -15.78910782
  H     14.28033911      7.83923495     -9.10443814
  H     19.82451167     10.66274221    -13.16955605
  O     20.62265369      8.87313860    -13.34144632
  H     14.46908532      6.47655685    -11.33135559
  H     18.61039884     11.28362113    -12.45235880
  O     16.00009192     11.75646238    -17.21126522
  H     14.00151547      7.77785562    -12.02170459
  H     17.89961534      8.98754445    -11.79890613
  O     15.91138571      9.35275456    -14.41271300
  H     14.73933766     11.96494597    -13.42374579
  H     19.16333633      8.29951813    -12.37766952
  O     11.02887066      9.41071471    -13.23462433
  H     15.30462899     10.54452948    -13.33699022
  H     16.63226192     10.35653118     -7.82989561
  O     17.40655258      7.27633324     -9.46186360
  H     17.15948731      5.97450813    -16.82406414
  H     15.66682904      9.57305113     -8.75219619
  O     12.33656473      7.02580284    -14.25730660
  H     17.01959645      6.71262357    -15.47920221
  H     16.41384544      8.38736928    -17.36245795
  O     19.22509681     11.41941483    -13.18584398
  H     14.94585710      5.29188192     -9.06739416
  H     14.96008441      8.86419812    -17.31035586
  O     18.30010490      8.12526850    -11.98205396
  H     15.87823891      6.43690954     -9.53232369
  H     13.81952257     10.15901312    -11.95714892
  O     16.57519336      9.91700673     -8.67385065
  H     18.91427055      7.75981630    -16.06489346
  H     12.44512481      9.44332522    -12.06582861
  O     15.82391034      9.07039690    -17.69891382
  H     19.10006395      9.26603598    -15.84022614
  H     14.26377893     13.70453738    -15.32537245
  O     13.29026153      9.43413959    -11.59860884
  H     20.31420412      8.64930560    -14.23838602
  H     14.91105206     12.41462696    -15.86730101
  O     14.35185490     12.76859148    -15.15826651
  H     21.55459689      8.67557392    -13.31290957
  H     13.22033143      7.99039865    -15.51183467
  O     13.70478529      8.67447030    -15.99514671
  H     16.14013385     12.19063001    -18.04931082
  H     14.45862135      8.92403926    -15.43952914
          69
 Energy    -248.44148172850828     
  O     13.16056678      8.97922099     -9.70752311
  H     12.50020340      9.02143745     -9.02168280
  H     15.93811716     10.56078979    -15.27828551
  O     16.61164598      4.57430802    -12.90296902
  H     13.50193511      8.06583431     -9.71629952
  H     14.99016946      8.38252753    -12.55833945
  O     15.05323837     12.05262788    -12.41082981
  H     17.35662351      4.72108312    -12.30890862
  H     16.10072709      7.58671850    -11.83564586
  O     17.21081346     11.46818520    -14.28527816
  H     16.82625678      5.05971366    -13.70922058
  H     14.05537573      5.88674577    -10.62782372
  O     11.40624250      7.57778700    -16.05616394
  H     14.26139870     11.88247145    -12.93586830
  H     15.16859405      6.61542565     -9.84582671
  O     16.90302083      7.03366604    -10.14344113
  H     15.79294088     11.96366008    -13.02221007
  H     19.10453067      6.03310650    -12.07339920
  O     13.01947700      6.57959651    -13.99116791
  H     17.63789490     10.82548585    -13.69315292
  H     19.65489539      4.97282128    -11.08774047
  O     13.03266927     11.04358615    -14.13761121
  H     17.88623373     12.08120308    -14.56341522
  H     13.71283561      3.80046609    -12.00378261
  O     13.28524194     10.21339351    -17.76632073
  H     11.84355997      7.13979332    -15.31317704
  H     14.94788396      4.63874430    -12.40255584
  O     17.37933091      6.07013964    -15.22596496
  H     11.97770168      7.42931391    -16.81895374
  H     17.30821708      9.05103091    -12.69839829
  O     15.01044373      7.32223390    -15.81683184
  H     17.29264061      7.89460274     -9.94417037
  H     18.23001182      9.70145657    -11.64603093
  O     15.16460212     10.15126124    -15.68442781
  H     17.61328873      6.45952638    -10.45629081
  H     18.68131441      6.83216210    -14.09015345
  O     15.89836464      8.07080774    -12.64574803
  H     12.98381255      7.37438573    -13.43502919
  H     19.03897555      8.02229892    -13.17369840
  O     14.20849903      6.49819657     -9.89870237
  H     13.29418476      5.86000215    -13.41164082
  H     17.00505220     10.06867082     -9.84276531
  O     18.85979528      5.42808891    -11.34944351
  H     13.78597887     10.75671298    -14.67685491
  H     18.33893917     10.07573124     -9.05585006
  O     14.01160025      4.69603238    -12.14078909
  H     12.25058762     10.90752473    -14.68582113
  H     13.36883184      8.50310621    -18.10931335
  O     18.13307789      9.55971887    -12.59495586
  H     12.48013562     10.38214962    -17.26130961
  H     13.38432927      7.26658225    -19.04053752
  O     19.30383218      7.12407161    -13.41106867
  H     14.01557914     10.33078771    -17.14192725
  H     14.65366853     10.16349545     -9.85801334
  O     17.89284309      9.66431256     -9.79016431
  H     17.61967846      5.62603463    -16.03580366
  H     15.27664053     11.20856630    -10.82362631
  O     13.41136351      7.52948390    -18.12504650
  H     16.56548122      6.56564536    -15.41435112
  H     10.11564950     10.48396574    -16.11086234
  O     15.44017490     10.69583438    -10.01818219
  H     14.37757302      7.05138370    -15.13604520
  H     11.10160220      9.30358916    -15.94990053
  O     11.03480592     10.27523961    -15.96831637
  H     14.53866674      7.31006344    -16.65916932
  H     13.05339531      9.66425389    -12.96402306
  O     13.16271265      8.83088844    -12.48815639
  H     15.24745976      9.19153001    -15.60929671
  H     13.04453489      8.98944167    -11.54428890
          69
 Energy    -248.44141597306094     
  O     12.17176325     10.26488787    -15.79056482
  H     11.73193285     10.72764511    -16.49972462
  H     15.54807353      4.87714030    -15.04600606
  O     15.47249654      6.30865960    -12.30846014
  H     13.04568642     10.68415660    -15.68856957
  H     15.27205732      7.58713381    -13.58041761
  O     17.62407956     10.34212693    -11.73087595
  H     15.25803188      5.60345171    -12.93784564
  H     14.52055262      8.04348760    -14.87528143
  O     16.97011846      9.60868732    -15.81352640
  H     14.69210639      6.50529147    -11.77587928
  H     10.16721208      9.98537169    -13.29152113
  O     12.24745368      5.50119039    -15.22400162
  H     17.52057781     10.54213096    -10.79280742
  H     11.44163689      9.87350063    -14.15496846
  O     14.44837694      9.99379777     -8.77173034
  H     17.71402157      9.37983894    -11.81076493
  H     17.40580350      8.71322842     -9.04191761
  O     13.30419235      7.15344882    -10.78065699
  H     17.55022863     10.20269076    -15.31382025
  H     17.66598669      7.60094679    -10.07730226
  O     15.06006495     10.66519536    -12.78226479
  H     16.40492984      9.14089555    -15.17762000
  H     11.33608514      7.74154625    -13.08546812
  O     16.91913550      5.44590184    -16.20249818
  H     11.58310283      4.84995165    -15.43204084
  H     12.11141494      6.77908894    -12.16468090
  O     14.80289699      7.16486970     -8.41999907
  H     11.98082251      5.91946565    -14.38470259
  H     19.49865994     11.38705909    -14.16318625
  O     18.49900727      7.31330084    -14.65140601
  H     14.46147686      9.05698056     -8.53822017
  H     18.31960272     10.93093095    -13.28769661
  O     14.88257072      4.66045575    -14.37926000
  H     13.83902224     10.07556977     -9.51612498
  H     18.25404892      7.47881873    -12.83517071
  O     15.11881223      8.33079223    -14.17576985
  H     13.21633040      8.10824292    -10.91528374
  H     17.02830530      7.08811157    -11.99507031
  O     11.05181054      9.62544296    -13.30259182
  H     13.73048533      7.03874016     -9.92173343
  H     16.12327422     10.48120279     -8.91386116
  O     17.34470315      7.76023527     -9.18029990
  H     15.93623536     10.68578202    -12.37813846
  H     17.33673587     11.22457581     -8.30725103
  O     11.57949381      6.81581922    -12.97051634
  H     15.01204456      9.82414747    -13.26745167
  H     16.39089401      8.38507808    -17.14353249
  O     18.58105560     11.12861185    -14.20097111
  H     17.37960101      4.85714592    -16.79570595
  H     15.03030823      7.66952116    -17.28100310
  O     17.85829348      7.58835082    -11.95965380
  H     16.58635288      6.18262563    -16.74418484
  H     13.72138154     10.26211991    -11.70205184
  O     17.08272877     10.62353780     -9.00219826
  H     15.72845986      7.28899515     -8.69727479
  H     12.22773446      9.89836887    -11.80723331
  O     15.96038011      7.61646514    -17.54111519
  H     14.82171920      6.61712234     -7.63999994
  H     15.40806680     10.92373247    -15.82091440
  O     12.97190956      9.91077718    -11.19591114
  H     18.23614403      8.10837808    -15.12502723
  H     14.77221427     11.37142171    -14.50211456
  O     14.62635913     11.35463424    -15.45889085
  H     18.02887414      6.59327402    -15.09001865
  H     12.92727472      6.97660782    -16.04874039
  O     13.42094679      7.75612405    -16.33817959
  H     14.02046170      4.86639476    -14.75727706
  H     12.86584025      8.53494641    -16.21754278
          69
 Energy    -248.44136192993102     
  O     15.43881679     13.05027589     -8.35382022
  H     15.22205240     12.10102191     -8.39218103
  H     13.11948364     10.34856691    -11.52866901
  O     12.84322264     11.63306296    -16.01419262
  H     15.60307146     13.26079963     -7.43889844
  H     12.48126282     11.91190740    -10.04921866
  O     18.15511783     11.12054395    -11.86549015
  H     12.77724147     12.30947478    -15.32833391
  H     11.33006040     10.92060951     -9.74753697
  O     13.39289208     15.61362255    -11.94128944
  H     13.17860608     10.82857345    -15.59637924
  H     16.44539940     15.01199564    -15.32169947
  O     14.26841191      9.47158280    -14.82840035
  H     18.00018691     11.60232427    -12.69116014
  H     17.79396994     15.77464765    -15.25647538
  O     19.08555031      8.77042647    -12.97405122
  H     18.63276861     10.32173787    -12.13372350
  H     13.84559230     10.49297245     -9.05358968
  O     18.23720486      8.80658589    -15.74414856
  H     14.35919260     15.66661785    -12.05332979
  H     15.28355989     10.01102267     -9.35067162
  O     15.16440622     12.42764445    -12.75640529
  H     13.08809666     16.50437810    -11.78924123
  H     13.95744419     12.08499156    -17.25664520
  O     16.11496145      9.40612889    -10.93274495
  H     14.00910606      9.64075033    -13.91213327
  H     14.37814703     12.30007037    -18.73167665
  O     16.32713087     10.77541892    -16.16972714
  H     14.76222456      8.63809795    -14.81761372
  H     16.80655417      7.68975405    -15.06978703
  O     14.98303548     14.61505641    -16.12190033
  H     18.51940383      8.06688565    -12.63384901
  H     16.28731308      7.13919089    -13.73451813
  O     13.77498786     10.16789436    -12.21246400
  H     18.89461360      8.81943259    -13.91879059
  H     16.49061277     14.94921639    -11.64264377
  O     12.24042827     10.96744200    -10.02549579
  H     18.76518818      8.63213806    -16.51981900
  H     16.52148031     15.52595687    -13.07322055
  O     17.25955972     15.13168819    -14.79849055
  H     17.62843729      9.52492443    -15.97943057
  H     17.17132278     11.89285990    -15.00965103
  O     14.73962500     10.46069413     -8.69067947
  H     15.90311492     12.35748372    -13.37492009
  H     17.52382616     13.33165118    -14.48586799
  O     14.69799503     12.34885435    -17.83518295
  H     15.54156069     12.81706994    -11.95795466
  H     13.20176454     14.24409531    -10.64654449
  O     16.01385588      7.35231586    -14.63542829
  H     16.78286662     10.03650074    -11.23673843
  H     13.90442820     13.55475701     -9.44122012
  O     16.10158002     15.62801537    -12.21133253
  H     15.29653498      9.59152718    -11.41596454
  H     17.02727116      6.32659572    -11.33259817
  O     17.49079446     12.39594490    -14.24860066
  H     15.61576670     10.34131649    -15.67332393
  H     16.66950139      7.81789149    -11.52206910
  O     13.12854985     13.52063693    -10.01328352
  H     15.89921044     11.30325364    -16.85429607
  H     17.42886312     12.62178973    -10.92804731
  O     17.02112841      7.03229260    -11.97403065
  H     14.29206245     14.40880858    -15.47794090
  H     16.48543494     13.25117343     -9.84417024
  O     16.85409012     13.37222196    -10.72855805
  H     14.93035705     13.93186657    -16.80008828
  H     13.87869837     13.25529658    -13.65863742
  O     13.18766243     13.76304324    -14.11212621
  H     14.22629391     11.00887375    -12.39519958
  H     12.98718340     14.47652576    -13.49699975
          69
 Energy    -248.44125848355685     
  O     10.95324335      8.99241816     -9.04204661
  H     11.64120086      9.21191769     -8.40264114
  H     13.50286091     12.32114704    -13.89504664
  O     13.46127315      9.45515920    -17.10447544
  H     10.78366375      9.79855052     -9.54827701
  H     17.02298550      8.96036848     -9.89908465
  O     11.31297447      7.12743127    -10.96897559
  H     13.86144396      9.47638394    -17.96942906
  H     17.09032712      8.55252410    -11.39357585
  O     14.38373298      8.87812310    -14.51116444
  H     13.02909382     10.31819563    -16.97254203
  H     15.32334441      7.59735329    -11.90629926
  O     13.26735750     12.43207923     -7.92456883
  H     11.12022110      7.75314161    -10.24726718
  H     15.63566981      7.97765831    -13.35397167
  O     12.08498106     11.75247418    -16.62497734
  H     10.82450848      6.33024250    -10.78340677
  H     13.07211679     15.38718715    -11.81550951
  O     11.82680947      8.46043401    -13.43132963
  H     13.53997835      8.67025207    -14.08372901
  H     12.13424217     14.35166824    -11.18215471
  O     15.39548758      9.07313219     -8.59160017
  H     14.18791089      9.01670066    -15.44614050
  H     13.78353906      8.89308028    -10.88852929
  O     13.54488989     10.70149742    -11.09424522
  H     12.65790229     12.93916203     -8.47164092
  H     13.13712346      7.49817515    -10.73989947
  O     13.00539669      9.82782706     -7.18555491
  H     14.11224498     12.40422746     -8.39588734
  H     18.02970932     12.01365460    -11.89472091
  O     10.89537483     11.21949604    -10.74985632
  H     12.30734311     12.23061992    -15.81472723
  H     17.36081442     10.70985308    -11.39533530
  O     12.64340011     12.73979990    -14.04840411
  H     11.16361891     11.48249703    -16.52928711
  H     11.28279539     11.60876090    -13.66284309
  O     17.48377961      9.13596342    -10.72437422
  H     11.39592822      9.32441069    -13.37005454
  H     10.06218148     10.88021858    -14.28532265
  O     16.04841727      7.65309492    -12.54533936
  H     11.60882151      7.97011071    -12.63055596
  H     15.63860571     10.84412936     -9.07367335
  O     12.52622085     14.63128205    -12.02128954
  H     14.96865561      8.55271509     -9.28905382
  H     16.13765507     11.85993128    -10.14049278
  O     13.97921133      7.96332599    -10.69619678
  H     14.68603087      9.25360627     -7.96219744
  H     14.88459154     10.47196492    -13.82764198
  O     17.18262356     11.61129686    -11.72311058
  H     13.93036184     10.92427534    -11.95139308
  H     15.76470131     11.43158417    -12.94073232
  O     10.56932604     10.98099597    -13.47108250
  H     14.12835084     11.09205637    -10.43153368
  H      9.98154360      9.67857875    -16.13595308
  O     15.52314816     11.74790510     -9.40571503
  H     12.84636810      9.76475218     -6.24670625
  H      8.70540668     10.46993724    -16.51419022
  O     14.92671195     11.34544007    -13.41113099
  H     13.04954464     10.77766541     -7.39529589
  H     11.06661829     12.80185973    -10.01625274
  O      9.53299033     10.53904563    -16.04686347
  H     11.84491666     11.02486735    -10.82675612
  H     10.53047487     14.03861555     -9.25679815
  O     11.31801500     13.66688752     -9.64717761
  H     10.54729741     11.15545192    -11.64869449
  H     11.85461542      8.52130087    -16.57361715
  O     11.03224298      8.27283125    -16.13314128
  H     12.56995343     13.46265634    -13.41087068
  H     11.26467356      8.14642085    -15.20290207
          69
 Energy    -248.44121260922779     
  O     10.68361868     12.73296828    -12.83340324
  H     10.35081892     11.89897480    -12.47471904
  H     13.90406507     12.26583249    -13.09114868
  O     13.72381976      9.05355857    -17.29018950
  H     10.99137574     12.54879538    -13.72395660
  H     16.92012475     10.36697632    -11.89670275
  O     11.99052705      9.18646910    -13.03085405
  H     13.49429069      8.46285301    -18.00168504
  H     16.31348948      8.92534453    -12.01155120
  O     15.62448591      9.01557876    -15.18285060
  H     12.91930267      9.17947422    -16.75457283
  H     15.86498668      7.97459427    -13.86811686
  O     12.88616205     12.23179400     -9.61602921
  H     12.66175574      9.79685439    -12.68821134
  H     16.61987725      6.74535257    -13.30280357
  O     14.15345037     11.83435771    -16.95489102
  H     11.16128064      9.43470138    -12.60375349
  H     14.34854091     14.37144513    -12.60045345
  O     13.23021858      7.98023883     -9.13975557
  H     15.83578064      9.95391931    -15.09216154
  H     13.54384637     14.93755435    -11.43761217
  O     13.81508957     10.93461920    -11.92684042
  H     15.00927087      8.94165169    -15.92088150
  H     12.92279735      7.77866405    -12.25284679
  O     11.25269392     10.00805045     -9.42270611
  H     12.52942411     13.05833434     -9.96470790
  H     14.35869664      7.21277421    -12.18758404
  O     16.49994100     13.37803777    -10.83344094
  H     13.70172545     12.42244756     -9.13571573
  H     17.36553397     12.43602066    -11.97499956
  O      9.80419253     10.29104605    -11.66808266
  H     14.96730379     11.88969941    -16.43875654
  H     18.75450704     12.03167233    -12.52211200
  O     14.01090848     12.97675477    -13.74362854
  H     14.07307594     10.90972106    -17.22378132
  H     15.69762409     12.60095408     -7.50544804
  O     16.31324545      9.73700703    -11.48830468
  H     13.34585180      7.67771594    -10.05823299
  H     15.44402098     11.41784838     -8.47326688
  O     16.02324446      7.44827597    -13.06184528
  H     13.12024066      7.19620685     -8.60772268
  H     16.87980455     11.80341869    -14.25194853
  O     14.42803574     14.93867673    -11.81960241
  H     14.67058989     10.52037132    -11.75625848
  H     15.43916481     12.24935024    -14.51928415
  O     13.51241129      7.22289490    -11.72541780
  H     13.50752383     11.33509020    -11.10325833
  H     11.43011395     13.21137174    -16.12650259
  O     17.82423798     11.83589246    -12.59340774
  H     11.87048964      9.27935009     -9.28876986
  H     12.69657807     12.32437582    -16.13874885
  O     15.38605761     12.38713564     -8.38036665
  H     11.78114803     10.81685606     -9.36222175
  H     15.86414819      9.67588705     -9.72438146
  O     16.18188671     11.76885175    -14.91643036
  H     15.82978645     14.00668987    -11.13842880
  H     14.69849855      9.15025133     -8.86138365
  O     11.90122289     12.55316560    -15.62027902
  H     16.19886097     13.06090542     -9.97528983
  H     11.35528423     13.85970053    -11.64151040
  O     15.46125778      9.74015007     -8.84659835
  H      8.90961481      9.99210344    -11.53117540
  H     11.04424772     15.02307071    -10.67396157
  O     11.72957390     14.41280694    -10.93365946
  H     10.27320421     10.17941339    -10.82018302
  H     11.53443961     10.61686024    -15.70926650
  O     11.60532604      9.65690450    -15.72529047
  H     13.24888212     12.94172397    -14.32937721
  H     11.74680705      9.39142431    -14.80437099
          69
 Energy    -248.44083313139762     
  O     10.41262116     12.50136182    -11.71767869
  H     10.48534965     12.31394189    -12.66188390
  H     16.75636873     10.43706314    -11.52993473
  O     14.21672975      8.99310564    -17.70665145
  H     10.29351557     11.66196125    -11.26800367
  H     15.00115798      7.98201151    -13.43303746
  O     11.54106729      8.85112419    -11.92380775
  H     13.25301887      9.13152629    -17.67017590
  H     15.69264954      8.21163489    -12.07425603
  O     14.61510576      9.04988652    -14.90990010
  H     14.38582576      8.41308403    -18.44368337
  H     13.15315735     14.94042966    -11.44236187
  O     14.47705526     11.80269425    -17.18889239
  H     11.99446632      8.04512066    -11.64209048
  H     13.72694526     16.14408201    -12.23444319
  O     11.84085690      9.37070643    -14.57534037
  H     11.25772191      9.31409967    -11.12308001
  H     13.88517494      6.95146121    -11.61002396
  O     12.86773302      8.34933023     -8.72726540
  H     15.04815308      9.90538180    -14.77951720
  H     13.01850020      5.76077282    -11.13183796
  O     13.67003016     10.73705438    -11.82568675
  H     14.58696432      8.89654153    -15.86275159
  H     16.85741378     12.57155430    -11.83224573
  O     11.13834687     10.30364418     -9.61450447
  H     14.50271673     10.88338919    -17.48280565
  H     18.30774863     12.36422287    -12.33006797
  O     15.73780533     13.50391114    -10.86470572
  H     15.03733351     11.83842816    -16.40382382
  H     11.28703646     11.08617832    -14.49218750
  O     13.55212095     12.86235619    -13.60917771
  H     11.58925052      9.07712868    -13.68910961
  H     11.16580826     12.31552889    -15.40945612
  O     16.14299400      9.80402691    -11.13955439
  H     12.79987913      9.26402158    -14.64486659
  H     13.59112570     11.59013902    -10.26153455
  O     15.17814447      7.56829549    -12.57749144
  H     13.01127271      7.70441093     -9.43109107
  H     14.17732578     11.40025442     -8.85298238
  O     13.81840421     15.20469830    -12.10579105
  H     13.71858972      8.77899831     -8.57930312
  H     16.42454585     11.71259712    -13.97768893
  O     13.11959230      6.70600381    -11.06006314
  H     12.94768136     10.11214035    -11.95337321
  H     14.97279486     12.11247285    -14.31790135
  O     17.43038264     11.99254481    -12.36724473
  H     13.58066471     11.46201328    -12.45773361
  H     12.78310973     12.31456193    -17.16511422
  O     11.07632912     12.03238210    -14.49028490
  H     11.66035346     11.08140096     -9.40348439
  H     11.66018175     13.13026044    -17.84530670
  O     13.67401844     12.01936421     -9.39368328
  H     11.62498425      9.57383851     -9.19461000
  H     15.70617735      9.78957973     -9.38635332
  O     15.73529871     11.60631832    -14.64193687
  H     15.20141056     14.18413425    -11.29110635
  H     16.01488804      9.71740848     -7.87305943
  O     11.82265291     12.47523140    -17.17160376
  H     15.14747495     13.05745294    -10.24805343
  H     12.61065464     13.54820497     -9.81236177
  O     15.31106884      9.85893116     -8.50129942
  H     13.58977936     13.72175939    -13.17262853
  H     11.43347264     13.67805939    -10.80752679
  O     12.10187951     14.18839546    -10.32452065
  H     12.65389483     12.71026851    -13.93146484
  H     11.51579539     10.55920192    -17.41627960
  O     11.59009186      9.59927401    -17.35371836
  H     15.25890980     10.08541432    -11.43096852
  H     11.50219696      9.39686859    -16.41115011
          69
 Energy    -248.44073335836032     
  O     12.59664326     10.25645775    -11.45712147
  H     12.71630856      9.80487067    -12.30066408
  H     14.86278046     14.41784204     -8.55461082
  O     11.22339891     12.51696913    -12.37045842
  H     12.10894485     11.06536613    -11.65125379
  H     11.50423092     12.74185473     -9.23206536
  O     14.56419223     10.33706884     -9.58592056
  H     10.99726889     12.83819824    -11.48580325
  H      9.97124291     12.74410612     -9.48581167
  O     14.34534358      6.02181129    -11.40977500
  H     12.09081776     12.87852215    -12.60358210
  H     11.45532868     10.75184048     -7.75099093
  O     13.98475455     15.87906537    -11.76927681
  H     13.91814710     10.34661649    -10.31122930
  H      9.94929521     10.62452336     -8.05477986
  O      8.96145328      9.74613361    -11.08491141
  H     14.57556321      9.42074123     -9.27863502
  H     14.25036141      7.07557214     -9.80775066
  O     13.80768173     13.31540819    -12.86397866
  H     13.42557811      6.19592584    -11.67874131
  H     13.05128729      7.77837986     -9.16225076
  O     15.80462216     14.48007424    -10.02476296
  H     14.46816970      5.07662620    -11.44182158
  H     15.51090026     11.42706107    -10.67102835
  O     11.23821499      8.44668297     -9.88662343
  H     13.97649572     16.78563489    -12.06334369
  H     16.18981182     11.45522125    -12.06585181
  O     12.33103740     15.52874775     -9.64780437
  H     13.33855741     15.81133689    -11.04302003
  H     12.97383960      9.78912585    -14.36221820
  O     15.03703931      8.06300382    -13.23450894
  H      9.22185580      9.91703553    -11.99677167
  H     11.50316858      9.45896764    -14.00718911
  O     14.23188469     14.41949596     -7.81213199
  H      9.63452974      9.16246114    -10.71407025
  H     10.34996960     11.28879389    -13.29349231
  O     10.79938784     13.16909390     -9.74161427
  H     13.87282485     14.24858438    -12.62491549
  H      9.36243744     10.80275534    -14.38236804
  O     10.72598822     10.11897477     -7.78735364
  H     14.45962686     12.84814623    -12.32188939
  H      7.68040649     11.63951100     -8.84853999
  O     14.00736184      7.68079841     -9.09617603
  H     15.33741024     15.03880661    -10.65741305
  H      8.64319428     10.94070658     -9.83903035
  O     15.81780021     12.01704716    -11.37475183
  H     15.96199157     13.64018279    -10.47688495
  H     14.98888073     10.88479507    -14.41373268
  O     12.39795572      9.09353691    -13.99932621
  H     11.73829141      9.09216647    -10.41139476
  H     13.92762472     11.97110216    -14.20723395
  O      9.95167338     10.49695893    -13.69675617
  H     11.02035045      8.89518666     -9.05481416
  H     17.39431314     10.07009070    -13.88188071
  O      8.59712951     11.57556774     -9.10205876
  H     12.91236180     15.27231317     -8.92064613
  H     16.09136767      9.44217400    -13.33209320
  O     14.08769045     11.13128773    -14.65618779
  H     11.66315348     14.83294300     -9.70278535
  H     11.88802425      7.49941154    -12.83822860
  O     16.56276216     10.28401695    -13.46708852
  H     14.93455723      7.35180726    -12.59025934
  H     11.50493798      7.28020363    -11.35206842
  O     11.85105966      6.83783439    -12.13952139
  H     14.16472510      8.20624144    -13.61618686
  H     13.47760949     11.42710224     -8.60222556
  O     12.82204251     12.01603761     -8.20336366
  H     14.69101523     14.78541844     -7.06100374
  H     13.29656071     12.81391428     -7.93830252
          69
 Energy    -248.44069291353770     
  O      4.12527130      2.14011906      6.51025553
  H      4.66484953      2.29607699      5.71465121
  H      3.15335946      3.83209182      6.28728012
  O      1.11422895      3.93420617     -0.03676429
  H      4.73261087      1.96380891      7.22360612
  H      2.19833526     -0.04823115      2.38394249
  O     -1.63876362      3.11443741      0.25768873
  H      0.17399049      3.73630117      0.04045320
  H      2.51725745      0.10171684      3.90616339
  O     -0.31033734     -2.41120287      2.54299586
  H      1.48763955      3.26157385     -0.62388758
  H      2.29929241      3.95683336      1.25909542
  O     -1.86518661     -1.93687909      0.39952819
  H     -2.40856641      3.63686801      0.04818940
  H      3.43766474      3.04657572      1.85526991
  O      4.48693317      0.19569382     -0.68413931
  H     -1.75613860      2.25283384     -0.18059801
  H      3.22636563     -2.55764457      0.82829385
  O      0.67636132     -1.61936942     -0.65365004
  H      0.60861995     -2.69380878      2.52938986
  H      2.43612062     -2.14578102     -0.41183951
  O      1.08828527      3.37708777      4.04798992
  H     -0.38541700     -1.73701509      3.23619453
  H      0.43579620      0.97111588      1.57320662
  O     -0.74775711      1.89637047      2.61843050
  H     -1.35874090     -2.10208396      1.21730589
  H      1.44673396      1.08397164      0.38226223
  O      5.49655806      2.74394099      4.23332078
  H     -2.62833049     -2.50663693      0.43557971
  H     -1.19085663      0.52470276     -1.60711065
  O      4.40782804      5.33465644      3.73560201
  H      4.12261483     -0.67395169     -0.44012920
  H     -1.90027168     -0.16191104     -0.41946354
  O      2.69219524      4.60062269      5.92946226
  H      5.25761788      0.02756987     -1.22051346
  H      4.00316530      0.86173391      2.34237482
  O      2.83291309     -0.28671055      3.07895782
  H      0.84914041     -0.92974475      0.00886586
  H      4.63711119      1.15056081      0.96877557
  O      2.91551085      3.84674239      1.99836149
  H     -0.19157743     -1.97125591     -0.42176557
  H      2.99162865      1.21240151     -1.18758829
  O      3.33433189     -2.18791803     -0.05627067
  H      1.45399350      3.88905200      4.78303089
  H      1.60338340      1.20737968     -1.90594498
  O      1.12677535      0.50461182      1.08413993
  H      1.69237308      3.51660527      3.30497299
  H      2.95201220     -3.50544192      3.27367237
  O     -1.83729818      0.66878106     -0.90688326
  H     -1.16907797      2.39986403      1.91190350
  H      2.74364747     -2.02895979      2.86501526
  O      4.50377002      1.52655968      1.84551171
  H     -0.21999743      2.51476350      3.14568868
  H      0.30475273     -0.32088112     -3.59957068
  O      2.15726777      1.69003256     -1.27893463
  H      5.28571983      3.67499123      4.08542268
  H      0.50994248     -0.62746413     -2.09423755
  O      2.58872777     -2.94933089      2.58891236
  H      5.31625016      2.29645393      3.39738557
  H     -0.76799525      0.41304394      3.78137207
  O      0.35892663      0.08647231     -2.73900967
  H      3.85872188      4.90721246      3.05499987
  H      0.23362212     -0.00550391      4.86696867
  O     -0.50299533     -0.33205314      4.33784693
  H      4.69585892      6.16770592      3.37207592
  H      1.53838700      1.80399317      4.88261663
  O      1.86005045      0.99570681      5.30821622
  H      3.30022701      4.98921553      5.28720012
  H      2.60917153      1.26840003      5.85231570
          69
 Energy    -248.44066329871094     
  O     13.43537413     10.17080187     -9.91841763
  H     12.93443570     10.75819796     -9.35931617
  H     16.83862725     10.07765153    -15.94713633
  O     15.27593420      5.07768853    -12.46807898
  H     14.06101594     10.72459653    -10.42036681
  H     15.54688939      6.93644203    -12.46371914
  O     18.68944532     10.12376524    -15.66422430
  H     14.54644137      5.04787699    -11.83376750
  H     14.69061437      8.23239041    -12.54151910
  O     10.97684920      7.85886163    -15.32657088
  H     14.88424657      5.01042130    -13.34748405
  H     14.03206941      8.41005094     -9.51072842
  O     17.16599992      7.53586176     -9.28408679
  H     19.33872741     10.74058765    -15.99124558
  H     15.27992681      7.51398866     -9.34248478
  O     12.01295813      6.57108122    -13.01565926
  H     18.89617233      9.97472665    -14.72376163
  H     18.36190955      6.03774900    -11.94992118
  O     14.06526998     10.91207956    -14.16985746
  H     11.13536340      7.36579337    -14.51218829
  H     17.00054237      5.33759148    -11.69739700
  O     13.58527913      9.20517383    -17.46857095
  H     11.43960559      7.37313328    -16.02081429
  H     12.77833582      4.80881452    -10.00565581
  O     15.95137940      7.18655087    -15.27869287
  H     17.40259434      6.88128516     -9.96638654
  H     13.52289432      6.15136623    -10.19758920
  O     13.77285933      5.47141657    -14.91054761
  H     17.68772316      7.32795986     -8.51367968
  H     19.45992859      8.55269022    -13.04296007
  O     18.69201862      7.22499595    -15.72502565
  H     12.20685634      6.07391056    -12.21320732
  H     18.59934413      9.65395120    -12.39938329
  O     15.90514924      9.83810696    -15.98731839
  H     12.31531699      7.47607166    -12.83413117
  H     19.29125236      6.76771636    -14.14546074
  O     15.57988176      7.87899182    -12.67208343
  H     13.24976454     10.92428471    -14.68861921
  H     20.44931683      6.21181096    -13.28919530
  O     14.31948290      7.49235328     -9.43763336
  H     14.75964268     10.59456942    -14.76448894
  H     16.64874693      8.99921339    -11.82474907
  O     17.74587710      5.76503842    -11.25770203
  H     14.44222532      9.49843358    -17.13370574
  H     17.27895187      9.08290020    -10.43444770
  O     13.12913909      5.39544410    -10.67037829
  H     12.92996707      9.72478286    -16.98684328
  H     13.09533607      7.51591545    -17.38091595
  O     19.25827185      9.49502095    -13.08803569
  H     15.94403893      7.52001148    -14.36782454
  H     12.51656932      6.29163045    -18.12488260
  O     19.59768484      6.63834854    -13.23061980
  H     15.23167718      6.54704864    -15.31351010
  H     15.93928969     10.97750322    -11.45722412
  O     17.16243458      9.58750462    -11.24712814
  H     13.15123194      5.83785941    -14.26424869
  H     14.85742076     11.46791784    -12.46057703
  O     12.71519633      6.62824025    -17.25500725
  H     13.40743566      5.69873874    -15.77562748
  H     11.40572359      9.56228328    -15.48529169
  O     15.13637736     11.51190316    -11.53791760
  H     18.78990405      8.17316067    -15.87240189
  H     10.95598205     10.98462678    -15.88975861
  O     11.72515220     10.46135042    -15.68005961
  H     17.73730771      7.07200958    -15.67815828
  H     13.34811219      9.69643610    -13.05394657
  O     13.03803092      9.01727089    -12.43829521
  H     15.87306307      8.88374188    -15.81876629
  H     13.02881127      9.40724359    -11.55554853
          69
 Energy    -248.44043197000477     
  O     14.46878734      9.99034485    -10.03428043
  H     14.68261552     10.86582190     -9.72224456
  H     12.28073471      3.29223240    -11.91618708
  O     10.51208525      5.45027977     -9.90981893
  H     14.19106557     10.08513341    -10.96475692
  H     15.73098053      5.57304987    -13.93086947
  O     16.51910830      4.21855951    -12.99916319
  H     10.21840484      6.27452233    -10.31714515
  H     15.54313354      7.12094104    -14.08057676
  O     13.54520441      6.09575787    -16.50216713
  H     10.80735133      4.87100310    -10.62482839
  H     13.91224197      6.18600246    -13.04414516
  O     13.68299947      2.17722415    -11.83531936
  H     16.12618395      3.52704573    -13.54922101
  H     12.70990250      7.01090215    -12.51789070
  O     12.38349336      6.11668707     -8.08504664
  H     16.31446266      3.96651346    -12.08871482
  H     12.25257493      7.92494450     -8.70892304
  O     16.10207983      8.64735829    -13.35109069
  H     13.94793524      6.51475178    -17.25819393
  H     12.88713365      9.14136905     -9.43327467
  O     11.06799502      6.66919603    -15.18680364
  H     14.17343020      6.18358896    -15.76406755
  H     17.76951538      5.57716164    -12.38642732
  O     16.18741265      7.82479652    -10.64846085
  H     14.10565064      2.10466720    -12.70013402
  H     17.63954917      6.80025470    -11.44481049
  O     12.99638834      3.43808621    -15.71261294
  H     14.37226348      2.49468199    -11.23948872
  H     13.80167046      5.87881834     -9.20201267
  O     10.47057289      3.94729531    -14.49144008
  H     12.14840354      5.81500126     -7.21228993
  H     13.99076470      5.96599517    -10.74812030
  O     11.66441664      4.02789562    -12.04418036
  H     11.67863474      5.81611330     -8.68884206
  H     15.30147536      1.50056793    -14.86967221
  O     15.18903981      6.25868063    -14.34274700
  H     16.12046736      8.36362287    -12.42537381
  H     14.30333263      2.68033330    -14.87447346
  O     13.26974441      6.24689020    -12.32666997
  H     17.02535315      8.69510556    -13.63811881
  H     16.38956925      3.26605764     -9.67426879
  O     12.04684868      8.72787309     -9.20249191
  H     11.86532644      6.54877148    -15.71758674
  H     15.31682172      4.28587662    -10.13021054
  O     18.25288756      6.32890220    -12.02345585
  H     10.75503994      5.77976989    -14.98323271
  H     18.72280940      7.57269092    -13.24332455
  O     14.44844586      5.78388641     -9.91149711
  H     15.72979855      8.61838532    -10.34154129
  H     19.67355578      8.63436507    -13.82252101
  O     15.03082572      2.26908702    -14.37410156
  H     15.64896049      7.08740149    -10.33012253
  H     10.69817354      8.41131075    -10.24976148
  O     15.78661964      3.47276522    -10.38362274
  H     12.10599100      3.50931427    -15.34835415
  H      9.20630368      8.62096678    -10.60786768
  O     18.77735225      8.31320117    -13.87152207
  H     13.18611442      4.29731896    -16.10980146
  H     14.55102860      9.67338632    -13.07156552
  O      9.98100961      8.11606504    -10.84120891
  H      9.64688983      3.46702013    -14.48073940
  H     13.01343937      9.54905627    -12.87900634
  O     13.78722906     10.07561768    -12.63671801
  H     10.81706910      3.93237007    -13.58265517
  H     10.94848067      8.29580596    -12.41674538
  O     11.63716758      8.33385144    -13.09198003
  H     12.20878498      4.81649598    -12.18933934
  H     11.34313002      7.82381108    -13.86262538
          69
 Energy    -248.44035065888966     
  O     14.49921673     14.19916588    -10.85393506
  H     14.13170316     13.38371477    -10.46444066
  H     13.14359759     14.00570728    -16.22794159
  O     14.80465494     11.93429534    -18.20094020
  H     14.40819637     14.88001288    -10.19093307
  H     12.39826168     14.50577948    -14.23775156
  O     15.75640865      9.09975030    -11.06034078
  H     14.46843488     12.72687596    -17.74373877
  H     10.98739987     14.31153089    -14.84292716
  O     14.12048969     10.12735185    -16.16747428
  H     14.63962793     12.05915150    -19.13115003
  H     18.65830358     13.18125578    -13.56940088
  O     15.32000143      6.67334369    -12.37435630
  H     16.00581032      9.62721102    -10.29155868
  H     18.34670818     11.87610957    -12.82425319
  O     16.08737581      6.63850777    -14.97593857
  H     14.86722124      9.38362431    -11.31949785
  H     14.52839423     11.47627729     -9.46274244
  O     15.23008611     12.52722678    -13.12428515
  H     14.23846798     10.68203100    -16.94780426
  H     13.39005458     11.13377805    -10.45350002
  O     13.13249718      9.83352232    -11.78485887
  H     15.01129286      9.86095020    -15.89401464
  H     16.54865976     11.84154366    -17.38216606
  O     16.69979211      9.33972283    -15.49255641
  H     14.35718065      6.73478369    -12.39889450
  H     17.25870766     10.84997876    -16.44693899
  O     18.43671340     13.77070725    -15.41750426
  H     15.61116958      7.42014833    -11.83369557
  H     14.26466039      7.14447666    -15.33869756
  O     12.89503228     11.41112633    -14.05980049
  H     15.89095836      6.61545235    -14.02195581
  H     13.48251086      8.41394752    -15.71854598
  O     13.94012751     14.03420976    -16.76886550
  H     16.51720821      5.81452174    -15.18823918
  H     16.72482205     11.70758419     -9.48909371
  O     11.85458968     13.91827489    -14.79238647
  H     14.40185596     12.14625802    -13.44864271
  H     16.74058960     10.87469268     -8.18489354
  O     18.67765276     12.77592256    -12.69552417
  H     15.02828609     13.01240303    -12.31790785
  H     17.79727572     13.08894032    -11.14498450
  O     13.72761213     11.82817966     -9.87269334
  H     12.98146258     10.38054895    -12.56877929
  H     16.49312727     13.69073318    -10.56635673
  O     17.33913550     11.72793465    -16.84214182
  H     12.82783995      8.94640647    -12.01442998
  H     16.75840879      9.92627310    -12.35062310
  O     13.38265335      7.53725322    -15.32603843
  H     16.60758579      8.38613145    -15.38320778
  H     16.48621309     11.25019229    -13.09689133
  O     16.31150976     10.95260645     -9.03251153
  H     16.90792801      9.70831059    -14.61992382
  H     14.39624943     15.39930767    -13.84572693
  O     17.24303647     13.13143821    -10.35041104
  H     19.20346179     14.08488011    -15.88938639
  H     13.81456274     15.07752043    -12.45891601
  O     17.09373938     10.49494572    -13.05487180
  H     18.07886882     13.02667366    -15.93488092
  H     11.77022366      6.69521332    -12.72435955
  O     13.58174366     15.43261579    -13.32374823
  H     13.25433615     10.97003066    -14.84436810
  H     12.75660340      7.37484438    -13.70407899
  O     12.53137664      7.26799656    -12.76197662
  H     12.42322800     12.20380814    -14.34348159
  H     15.66491869     13.86334429    -14.25743855
  O     15.84600799     14.64215676    -14.80607835
  H     14.65169575     14.31719928    -16.17744338
  H     16.77269094     14.55765098    -15.05823407
          69
 Energy    -248.44025858213320     
  O     -2.82871720      1.06601315      2.85045858
  H     -3.28613304      0.40787852      3.36710359
  H     -2.55446535      6.44955354      0.59452374
  O     -4.58116936      3.87484515     -3.72718547
  H     -1.87952797      0.94590546      3.02936926
  H     -1.60741109      4.55174231     -2.89415264
  O     -4.13397343      5.66183850      1.28752918
  H     -5.41272439      3.43223079     -3.88036008
  H     -2.41487978      4.73714861     -1.61675165
  O     -1.91624568      1.07506745     -2.44969437
  H     -4.49208550      3.94231835     -2.76350637
  H      2.16671734      2.88493914      4.86253756
  O      1.88845475      2.12977915     -2.57479099
  H     -4.83292904      6.15759264      1.70506061
  H      2.21450343      3.00625077      3.32078251
  O      0.24540485      7.03041026      2.07695079
  H     -3.80464874      5.02641064      1.94921433
  H      0.14708888      3.59888413      0.07059917
  O     -0.13975228      0.74634049      3.26090507
  H     -2.27829585      1.24960945     -1.57125019
  H     -0.36304669      3.56760013      1.54467346
  O     -1.91172093      3.20453532     -4.15906080
  H     -1.12531088      0.54390615     -2.30424935
  H     -4.19572090      4.61931159     -0.23766460
  O      1.07000792      0.67572602      0.70682286
  H      1.39584814      1.31496459     -2.41227906
  H     -3.65919088      3.21018963     -0.59329741
  O      0.51364236     -0.24012864     -1.81454097
  H      1.59859181      2.45830528     -3.43934455
  H     -3.11861837      2.95730687      3.04064937
  O      3.18036223      3.36160209      1.95069629
  H      0.26124749      7.93140198      2.38774270
  H     -2.18703923      4.17245434      3.20311660
  O     -1.71291681      6.76017262      0.23716508
  H     -0.44373307      6.98218341      1.38932398
  H     -1.86973496      2.33215463      0.27808767
  O     -1.61747479      5.04905817     -2.06593084
  H      0.30528025      0.49475675      2.44150752
  H     -2.91016989      1.45405701      0.98582367
  O      1.62061188      2.86455574      4.08156484
  H      0.42135390      1.42824309      3.65007206
  H      0.31137295      4.05511062      3.56221757
  O     -0.31463229      3.06018493      0.72566313
  H     -1.90009961      2.41637332     -3.59027488
  H     -0.11018561      5.40433352      2.87555427
  O     -4.01281665      4.02584848     -0.97660363
  H     -2.83950049      3.46546419     -4.22535263
  H      1.75508001      6.25382023      1.21785537
  O     -3.11305660      3.92013683      3.07464508
  H      0.57976843      1.51328473      0.75261289
  H      1.98277754      5.37590881     -0.02652440
  O     -2.70227789      1.85410283      0.13468860
  H      1.98383653      0.90985096      0.50320163
  H      1.28279005      3.71913958     -1.78830449
  O     -0.41273763      4.52168345      3.12574162
  H      0.63448038     -0.03323732     -0.87257238
  H      0.10480295      4.73329949     -1.62849671
  O      2.41638374      5.71457254      0.76953202
  H      0.71599837     -1.16565854     -1.92466450
  H      0.92593043      3.66757605     -5.61782595
  O      0.96712436      4.47267109     -1.27470404
  H      2.97825316      4.23863757      1.58840751
  H     -0.20859023      3.16138010     -4.71145202
  O      0.75118489      3.12205945     -4.85539581
  H      3.38722510      2.80847529      1.19168004
  H      3.04463283      1.90877646     -1.17946196
  O      3.50793568      1.66591129     -0.36146495
  H     -1.61291295      6.34302744     -0.62615405
  H      4.37476889      1.36408197     -0.62270748
          69
 Ord_Energy   -248.440155    
 O   -5.61312771      -12.0766439       7.32766390    
 H   -5.79179764      -11.7367439       6.44035530    
 H   -4.86226034      -11.5678568       7.65592813    
 O   -8.36947536      -5.37652588       6.64860058    
 H   -7.46831036      -5.67987633       6.47705889    
 H   -8.51259613      -5.51649046       7.59540939    
 O   -5.30287457      -8.76920319       9.74778748    
 H   -5.29423332      -7.80183697       9.70868301    
 H   -6.04731846      -9.06124401       10.2957926    
 O   -3.58630204      -10.2139015       8.21905136    
 H   -4.15029621      -9.71773434       8.83818722    
 H   -2.77631474      -10.4104795       8.68246746    
 O   -10.9846888      -8.93762970       8.16780949    
 H   -10.9052820      -9.83936977       7.83656168    
 H   -10.7870350      -8.36009121       7.41939974    
 O   -7.97474146      -11.1513357       8.37143612    
 H   -7.85838270      -10.2362223       8.07192039    
 H   -7.17065382      -11.6205530       8.10497570    
 O   -6.04674387      -10.1831865       2.15364194    
 H   -5.39396858      -9.49671936       2.38259006    
 H   -5.67662144      -10.6896572       1.43595099    
 O   -6.70031834      -6.56642723       3.48632121    
 H   -7.26133204      -7.31846714       3.25907063    
 H   -7.28228235      -5.79303265       3.50358152    
 O   -4.42737961      -8.20210361       3.04912448    
 H   -5.05919790      -7.47234011       3.10643435    
 H   -4.15120506      -8.38824940       3.95538712    
 O   -5.58633804      -6.08754301       9.13382435    
 H   -5.49483490      -6.03545713       8.17788792    
 H   -6.53622723      -6.02182627       9.30658817    
 O   -5.88707161      -6.67716932       6.11525917    
 H   -5.20333672      -7.36369991       6.10657549    
 H   -6.15666437      -6.57711029       5.18989754    
 O   -4.30561209      -8.90218735       5.82898045    
 H   -3.90205479      -9.30467796       6.60690355    
 H   -5.01112509      -9.50617790       5.55041409    
 O   -6.29502773      -10.6618128       4.95895195    
 H   -7.21025038      -10.4127007       5.14696407    
 H   -6.20094299      -10.6674471       3.99928021    
 O   -8.40204430      -8.75529194       2.77223015    
 H   -7.68256903      -9.25920486       2.37247562    
 H   -8.66399288      -9.24681377       3.56576467    
 O   -10.4492245      -6.90956593       3.14133549    
 H   -9.77339554      -7.54620457       2.85685873    
 H   -11.1523447      -6.94982100       2.49746275    
 O   -8.69605637      -4.71041012       3.87397528    
 H   -8.70810223      -4.71820354       4.83994102    
 H   -9.40627575      -5.30043507       3.59361720    
 O   -8.39861012      -6.46327829       9.18024063    
 H   -8.08447075      -7.22988605       8.67570305    
 H   -9.01860619      -6.82964945       9.81988811    
 O   -10.0803757      -8.17822170       10.6231642    
 H   -10.4483471      -8.47034740       9.76970482    
 H   -10.8110723      -8.12438965       11.2331076    
 O   -7.64585972      -9.72453594       10.8246164    
 H   -7.81174612      -10.3895969       10.1436186    
 H   -8.45306492      -9.19888496       10.8738623    
 O   -7.24431181      -8.56674480       7.70667934    
 H   -6.54787540      -8.68262005       8.37083435    
 H   -6.86951637      -7.99447393       7.02758598    
 O   -8.99750042      -9.92761040       5.20074701    
 H   -9.27443790      -9.06781292       5.54973888    
 H   -9.49772453      -10.5886250       5.69337654    
 O   -10.3219967      -11.5291443       7.09726858    
 H   -9.50000858      -11.5126495       7.62117672    
 H   -10.7017365      -12.3969116       7.20274353    
 O   -10.0874977      -7.46681356       5.90092039    
 H   -9.51085186      -6.74031878       6.17170525    
 H   -10.3928747      -7.25761509       5.00986624    
          69
 Energy    -248.44000476522916     
  O      1.48814714      0.69699784      4.57520062
  H      1.00119297      1.50450644      4.77848720
  H     -5.71868827     -2.00266022      4.68648155
  O      0.75956143      0.39267834     -2.88292366
  H      0.99095258     -0.03336836      4.96244172
  H     -2.54344106      3.39052146      1.74884060
  O     -0.10628091     -1.59429321      5.33239986
  H     -0.04388375      0.59152578     -2.38526931
  H     -3.65365447      2.59968774      1.01846512
  O     -1.19871328      0.79752397     -0.83277601
  H      0.96604015     -0.53014331     -2.68912649
  H     -3.38081013     -0.85206458      5.06172961
  O      1.51515478     -2.18204911     -1.81425186
  H     -0.99118632     -1.19486983      5.39103840
  H     -2.36291149     -0.01398291      4.25369378
  O      3.24287463     -0.68101103     -0.35760411
  H     -0.00629160     -2.16300733      6.09155445
  H     -0.11574501      2.82523879      1.70429720
  O     -4.72352330      3.08388022      3.93757767
  H     -1.08236156     -0.14566185     -0.63982527
  H     -0.44966432      3.18087410      3.19664056
  O     -3.21757915     -3.10693856      2.57597602
  H     -0.50415758      1.26483968     -0.35025413
  H     -2.56603623      0.46402463      1.90327681
  O     -0.02268332      3.09410535      5.00687737
  H      1.95624540     -2.90980982     -2.24401601
  H     -1.47651200      1.33989241      2.56598890
  O      2.71163864      1.83611376     -1.65113033
  H      2.18776385     -1.71192293     -1.28955929
  H     -0.02484760     -2.13398499     -0.80341427
  O     -5.32685130      0.52970568      2.81430100
  H      2.90419401     -0.55740512      0.53954412
  H     -0.62770731     -2.09710347      0.63617603
  O     -4.89472735     -1.63370679      4.38062684
  H      3.24636206      0.19335106     -0.76610367
  H      1.13662369     -0.88083164      2.07233725
  O     -3.49181623      3.38548396      1.55198815
  H     -5.38093819      3.75951940      4.08334405
  H      1.86698467      0.17419710      2.91815621
  O     -2.54545002     -0.37398243      5.13689916
  H     -4.29727463      3.28640970      3.08513736
  H     -3.30719493      2.68045990      5.11592452
  O     -0.83038169      3.03870996      2.32123320
  H     -2.31141224     -2.80987086      2.70194368
  H     -2.60675666      1.42662253      5.67400262
  O     -1.88559797      0.46567034      2.58734576
  H     -3.75268499     -2.66212523      3.24501704
  H      1.60365321      2.10312345     -0.17211177
  O     -0.81587584     -1.91720701     -0.29284551
  H      0.28744640      3.79942198      5.56883669
  H      1.28416472      1.23009289      1.07002244
  O      1.82385422     -0.20767760      2.02772216
  H     -0.92908197      2.88182772      5.29428663
  H     -0.95796301     -1.02845671      2.48989971
  O     -2.55401065      2.39047648      5.64583172
  H      3.19184106      2.41328245     -2.23813974
  H     -0.22417622     -1.97781549      3.46305050
  O      0.97416633      1.98556019      0.54916869
  H      2.04465884      1.37399233     -2.19040018
  H     -3.65572849     -2.46423763      0.90456767
  O     -0.47174914     -1.86991046      2.53610388
  H     -4.96128407      0.61820599      1.92778904
  H     -2.76030902     -2.08666360     -0.27852335
  O     -3.65586144     -1.98181734      0.06552443
  H     -5.18942244      1.38102684      3.24934760
  H     -2.89576805      0.90413326     -0.12746371
  O     -3.67463335      0.70111179      0.41200499
  H     -5.11887412     -0.88507943      3.79804389
  H     -3.84307602     -0.24368009      0.25731707
          69
 Energy    -248.43999672830779     
  O     13.94961785     11.17812323     -8.40778347
  H     13.80975430     10.87171817     -7.51478875
  H     16.65425368     13.59462286    -16.51799585
  O     10.92858000     10.77880514    -14.66846597
  H     13.08143518     11.17966475     -8.84099810
  H     12.80734086     14.24565779    -10.92695941
  O     15.04339590      9.53460984    -10.52156141
  H     10.73011798     11.54322776    -14.10888118
  H     13.03368184     13.03057083    -11.86880277
  O     11.65656943     11.18473251     -9.97524273
  H     10.98910567     11.11144763    -15.57270902
  H     10.89863700     13.96050728    -14.60954486
  O     12.45837156      9.03808998    -11.56525140
  H     14.82989733     10.07720526     -9.75434440
  H     11.36671814     13.56970021    -16.02366926
  O     13.43554844      9.85149433    -13.98826501
  H     14.19606563      9.19250425    -10.83403063
  H     14.06319957     11.39509085    -13.29476294
  O     13.99807582     15.53387436    -10.33914652
  H     11.95620192     10.45425106    -10.53841761
  H     15.06462122     12.36837280    -12.54712574
  O      9.88981244      9.08287344    -12.59973522
  H     11.90835221     12.01801232    -10.40464774
  H     11.01122297     11.97891082    -18.00727521
  O     14.10969168     14.35024830    -14.71474010
  H     12.89789841      9.25944235    -12.40035966
  H     12.34663672     11.80235040    -17.24636618
  O     14.02413260     11.37281506    -17.33696085
  H     11.54290221      8.84698566    -11.81462862
  H     16.39322753      9.88941717    -11.58342874
  O     10.27427844     12.96425638    -13.03034542
  H     13.90496399      9.45626922    -14.73058178
  H     17.88142531      9.58869072    -11.86373342
  O     16.03527924     13.00185308    -16.09839275
  H     12.56812463     10.14969330    -14.30251472
  H     16.93510399     10.42111820    -14.01269116
  O     12.37752356     13.46943930    -11.30303275
  H     14.56781341     15.57764755    -11.12897667
  H     16.64080426     11.38906308    -15.20458440
  O     11.42802591     14.26475819    -15.35607850
  H     13.91229080     16.42519739    -10.01290441
  H     15.28791948      8.11943391    -16.47785263
  O     14.18151946     12.28014711    -12.92885173
  H      9.42763867      9.75388314    -12.08380082
  H     15.71198275      9.43178449    -15.76670809
  O     11.40161342     12.01175053    -17.13816918
  H     10.14110914      9.52268900    -13.42297972
  H     16.37512766     12.99896406    -10.89379129
  O     17.15169162     10.13717375    -12.14117390
  H     14.09789456     13.60041911    -14.09860401
  H     17.03358258     11.98777079    -11.88098776
  O     16.82304537     10.47081934    -14.96929889
  H     13.19365364     14.47237116    -14.99811430
  H      8.37079638     11.43080965    -10.33723736
  O     14.95891145      8.95800530    -16.16784581
  H     14.71498522     11.96191971    -17.01129868
  H      9.89713304     11.27801260    -10.51433794
  O     16.65936969     12.87359971    -11.81456672
  H     14.29146008     10.48547382    -17.06774965
  H     15.08414790     15.22960095    -13.35396915
  O      9.05605477     11.34291462    -10.99527339
  H     10.99583218     13.26905825    -12.46038072
  H     16.11885506     14.61750766    -12.38207181
  O     15.57716568     15.40258129    -12.54118218
  H      9.66051524     12.51204023    -12.43993803
  H     15.00440705     14.09935042     -9.52035534
  O     15.56738977     13.33360655     -9.35273533
  H     15.37875686     13.56038378    -15.64930812
  H     15.00364210     12.65196240     -8.96812584
          69
 Energy    -248.43991074162284     
  O     -6.50157082     -2.18861680      6.86589246
  H     -5.63235678     -1.78789590      6.76248516
  H     -7.23677112      0.58274472      3.14366079
  O     -7.84637547     -3.57860323      5.00383618
  H     -7.09864329     -1.49698333      7.18846861
  H     -3.14437027     -1.17703050      6.77658097
  O     -6.22877580      0.17599475      0.15702599
  H     -7.33555883     -3.13321752      5.70717369
  H     -3.86469613     -1.12720506      5.40776651
  O     -5.51536329      1.33130999      5.82479999
  H     -8.06733376     -4.44522960      5.33248421
  H     -1.66327293      2.56816001     -0.10919353
  O     -5.98278831      4.88662342      0.32301648
  H     -6.61769324     -0.70197353      0.10157698
  H     -2.78321984      3.22632833      0.73407183
  O     -8.43635805     -0.26591307      7.44433830
  H     -6.87868690      0.70925786      0.64524539
  H     -8.81594364      2.83593524      5.28259908
  O     -3.84181771     -1.43431364      3.69819379
  H     -6.04423789      0.86908343      5.15193466
  H     -8.57386737      3.48779736      3.90946413
  O     -5.19363840      2.59093039     -0.92788077
  H     -4.90350020      0.67072954      6.17002952
  H    -10.06138521      1.61694445      3.58913532
  O     -9.27840787     -1.10773337      4.86232724
  H     -6.23154778      5.53879907     -0.32655717
  H    -10.10019378      0.08127605      3.75911423
  O     -7.77032158     -2.22251091      0.51026227
  H     -5.77093973      4.07164444     -0.16618129
  H     -6.84732554     -2.98564012      3.57046787
  O     -4.02166328      0.66734377      1.82354684
  H     -8.93611970     -0.52827744      6.66022997
  H     -6.80775134     -2.49367377      2.08911824
  O     -6.94341565      0.04548929      3.88935799
  H     -8.30073663      0.68407523      7.35653298
  H    -10.32116201     -0.40831964      1.73853944
  O     -3.96258392     -0.92676256      6.35668923
  H     -4.58346587     -1.97584614      3.39763484
  H    -11.00250586     -0.96405120      0.48573095
  O     -2.55743394      2.44558516      0.19667662
  H     -3.77976486     -0.70614869      3.06606902
  H     -6.91871908      2.14158626      6.56471775
  O     -9.22513642      2.99444792      4.42314811
  H     -4.25680392      2.50935995     -0.70902061
  H     -7.60223213      3.14300338      7.52352401
  O    -10.26685936      0.79194292      3.12196507
  H     -5.58457214      1.73086754     -0.72917088
  H     -4.28731156      4.80221501      1.27154619
  O     -6.31605998     -2.50658148      2.91939193
  H     -9.03734345     -2.04048213      4.87971682
  H     -3.81810288      4.01282905      2.50631769
  O    -10.21232257     -1.04449813      1.01560576
  H     -8.46600115     -0.64316668      4.60290607
  H     -4.86188683      2.38376382      4.45695396
  O     -7.78060069      2.48144694      6.85912302
  H     -7.93400962     -2.92512840     -0.11440584
  H     -4.50777428      2.00961356      2.99806528
  O     -3.49660546      4.48659019      1.72625732
  H     -8.63104582     -1.81038786      0.69650770
  H     -7.70885455      2.42075774      2.01955489
  O     -4.70856603      2.75654356      3.58025864
  H     -4.76467900      0.42478543      1.25363297
  H     -8.82025658      1.32693921      2.08881278
  O     -7.95021575      1.53209118      1.72439559
  H     -3.40037217      1.15930137      1.27202026
  H     -6.27360087      3.57770827      3.11021209
  O     -7.08704500      3.94515243      2.73363327
  H     -6.60883605     -0.79075489      3.53921479
  H     -6.82206197      4.40442222      1.92624301
          69
 Energy    -248.43983579355296     
  O     16.03604848     11.22450279     -8.98493475
  H     16.38445543     11.71211073     -8.24384255
  H     14.31119268      6.31808958    -15.25528969
  O     12.65761927      5.91768786    -11.64541831
  H     16.67335829     10.51320939     -9.18112849
  H     17.38185979      7.49171013    -14.64102209
  O     17.31040217      9.93031781    -12.41905839
  H     13.22611803      6.23536086    -10.92878897
  H     16.52436240      6.21215643    -14.83216096
  O     17.37288673      9.31211915    -15.10394148
  H     13.20003632      5.30092787    -12.14998473
  H     14.97407563      7.76118389    -11.59288128
  O     14.51652410      7.04825462     -9.93634355
  H     17.46572198      9.83108871    -13.36807770
  H     15.91138633      8.74777388    -12.37094053
  O     14.76604133      9.79999896    -15.97193881
  H     16.72413864     10.68809288    -12.28313234
  H     13.31229194      9.86300248    -10.01972543
  O     13.95366401     11.75587728    -14.19253448
  H     17.91808556      9.27799476    -15.89919849
  H     14.46220055     10.17641971     -9.03851522
  O     15.66942784      5.91713268    -18.12055790
  H     16.47150961      9.51328207    -15.39381817
  H     14.40446262      3.28982875    -13.19505279
  O     11.31557396      7.96800747    -12.79618827
  H     14.25406803      7.89217149     -9.53822834
  H     14.62201087      4.60779582    -13.96838119
  O     16.94110246      5.36209096    -12.00379671
  H     15.40263346      6.82625529     -9.62855139
  H     13.79920822      9.51044139    -12.11992558
  O     13.50975588      7.75392533    -14.57599023
  H     14.50017726     10.59628965    -15.49197480
  H     12.27057393      9.53280838    -12.19886108
  O     14.88842375      5.56633743    -15.45948522
  H     14.25066703      9.07536464    -15.59151477
  H     17.19812977      6.04280676    -10.43992354
  O     17.38337507      6.53271626    -14.52361223
  H     13.38513521     11.23088389    -13.61569288
  H     17.71817404      5.85486734     -8.99485808
  O     15.07031921      8.27648822    -12.40400190
  H     14.60349018     12.13999740    -13.59450582
  H     18.21642045      6.15998613    -16.19868514
  O     13.72483901      9.57321994     -9.19854025
  H     15.67910540      6.88699386    -18.21638472
  H     17.54161425      5.94001733    -17.56170833
  O     14.49829247      4.23301199    -13.08082396
  H     15.37494675      5.56155366    -18.95471417
  H     17.76161279      9.43604155    -10.69872662
  O     13.03028830     10.08929185    -11.98830000
  H     11.74095492      7.21172408    -12.35001789
  H     17.61983691      8.30459346     -9.65038972
  O     17.23989168      6.45703836     -9.55836637
  H     10.37842274      7.79449153    -12.79633431
  H     16.79877437      8.82703353    -18.16461387
  O     18.38073635      6.18209657    -17.15134577
  H     16.11635909      4.92336696    -12.24035482
  H     15.39894951      9.11915005    -17.58462653
  O     17.71892656      9.25858875     -9.74822588
  H     17.24589645      5.79369261    -12.81294703
  H     14.50424312     11.39257540    -11.69264184
  O     15.86296967      8.61495916    -18.26682242
  H     12.63295070      7.81213904    -14.18141075
  H     15.62498918     11.79164166    -10.72353082
  O     15.36519657     11.82729140    -11.65440775
  H     14.13338971      7.87208908    -13.83931447
  H     19.44786011      9.10629017    -18.02632775
  O     18.64534074      8.86095433    -17.57455312
  H     15.08737566      5.59671414    -16.40355266
  H     18.65988689      7.89208896    -17.47573388
          69
 Energy    -248.43961049192967     
  O     15.35767859      3.76154231    -10.49806870
  H     15.72246397      2.89576771    -10.33062874
  H     13.63915451      8.99639597    -13.73059409
  O     14.73233556      9.28514732    -16.61972726
  H     15.94924733      4.19291226    -11.13564176
  H     15.11944787      7.96739567    -11.73384738
  O     16.89092574      9.74175091    -14.06675993
  H     15.20132781     10.12359502    -16.51742648
  H     13.57052178      8.04839941    -11.83655905
  O     15.96441293     10.89739821    -11.68760146
  H     15.37010205      8.58678383    -16.42722322
  H     12.38224697      4.58315487    -11.84432675
  O     11.19082803      7.50171319    -13.44410531
  H     16.74259047     10.43729632    -14.71923594
  H     13.51677025      4.16622352    -10.87107427
  O     11.97096420      4.92444447    -13.66258854
  H     16.62416586      8.91062928    -14.48020159
  H     18.95508523      9.04498381    -11.82494436
  O     16.48216411      7.40168283    -10.57921063
  H     16.67264601     10.66758890    -11.07647183
  H     18.42059908      9.21329869    -13.24957397
  O     13.22611367     10.79223936    -10.85304141
  H     16.17416174     10.42476537    -12.50682598
  H     13.76351558      5.35904763    -13.97377646
  O     18.78585118      6.36961462    -13.96792929
  H     11.70623760      8.13291291    -13.96216281
  H     14.49573324      6.57286499    -13.36079025
  O     14.96499744     12.71976823    -13.64165558
  H     11.29462568      7.78559028    -12.52438135
  H     15.66156738     12.14679931    -15.13472940
  O     12.30697852     11.78933171    -13.38152399
  H     11.63439170      5.83827580    -13.61347086
  H     16.54296896     12.39447040    -16.38162109
  O     13.07689267      9.37871538    -14.41852087
  H     11.34486356      4.42895698    -14.18310142
  H     15.75248438      6.72635435    -15.02118011
  O     14.38446900      7.99056770    -12.35704320
  H     16.72128326      6.67947067    -11.17244349
  H     17.27977158      6.94690447    -15.07720866
  O     12.60886489      4.49002840    -10.91152694
  H     15.98675925      7.00915360     -9.84369500
  H     17.48694757      8.79951932    -10.27517897
  O     19.09906410      8.75401040    -12.73181561
  H     14.17395084     10.78783181    -11.04113895
  H     18.33107816      9.64874297     -9.29631870
  O     14.62513941      5.78522343    -13.91591952
  H     12.81967721     11.24192937    -11.60422909
  H     12.38446428      9.22078942    -10.72813805
  O     16.10052525     11.71013313    -15.88720533
  H     18.97248545      7.19915971    -13.49167312
  H     12.07474009      7.78964792    -10.12933205
  O     16.43857064      7.30269393    -15.38698821
  H     19.61306549      6.07582596    -14.34015152
  H     17.57976062      5.47633481    -12.87015014
  O     18.03743977      9.60002268    -10.20223928
  H     15.35948898     12.29249179    -12.87047850
  H     16.04123322      5.30461073    -12.93098136
  O     12.03431634      8.33685471    -10.92179997
  H     14.01655137     12.54909570    -13.57575574
  H     14.09535315      6.19948482     -8.68668683
  O     16.81344378      5.19959150    -12.35305195
  H     12.52367161     10.93768293    -13.79981058
  H     15.13525647      5.17307701     -9.17775788
  O     15.04362957      6.02346415     -8.72973740
  H     11.43128580     12.02539069    -13.67543498
  H     11.55711864      6.03570919     -8.34719899
  O     12.22168902      6.33048363     -8.96418517
  H     13.56971204      9.33637682    -15.24959908
  H     12.28140394      5.65141757     -9.66192216
          69
 Energy    -248.43956215726490     
  O     -1.88660980     -1.77554962     -0.75710498
  H     -2.36485621     -1.74518540     -1.58243537
  H     -3.30377171     -7.06370886      0.39544807
  O     -3.62312743     -0.91584125      6.61770720
  H     -2.55535790     -1.79283006     -0.05307534
  H      0.03124106     -5.40122437      0.20595823
  O      1.94948108     -0.21470834      2.01860550
  H     -2.76608878     -1.36230934      6.58376127
  H      0.17982027     -6.33285635      1.42848798
  O     -1.85810686      0.03825463      2.90025325
  H     -4.28547097     -1.59480458      6.43661621
  H      2.68822645     -3.60975966      4.73920936
  O      0.63312849     -4.06229894      7.32610669
  H      1.20168200     -0.04273441      1.41795472
  H      1.75031800     -2.40461734      4.95874127
  O     -5.33643183     -2.99502437      5.68031140
  H      2.51781288      0.54988846      1.97748487
  H     -0.01196662     -4.41483916      2.95197965
  O     -1.23783027     -2.32522107      6.15897183
  H     -1.16095182     -0.37871294      3.41927825
  H     -1.41282666     -3.80464947      2.67144279
  O     -0.57862551     -5.96484529      5.55683041
  H     -2.50686193      0.41124124      3.51181657
  H     -3.14527682     -4.94737071      1.85876548
  O     -5.45240537     -1.22957470      3.37840363
  H      1.06171725     -4.15353780      8.17252606
  H     -3.37141159     -3.40466542      2.07897450
  O     -0.30194036      0.22891161      0.58630843
  H      1.30660265     -3.74310642      6.69808130
  H      4.14933211     -4.98621879      3.15256698
  O      0.80346589     -5.99734332      3.18085583
  H     -6.02501044     -3.52664707      6.07162284
  H      3.10707379     -4.01422768      2.55091792
  O     -2.93522923     -6.23420546      0.68595757
  H     -4.56892198     -3.57863482      5.55993159
  H     -4.35754963     -1.56711255      1.97592333
  O     -0.20536039     -6.27435391      0.54366578
  H     -0.65672402     -2.88161460      6.69453366
  H     -2.89094052     -1.12498510      1.93328032
  O      2.27309333     -3.06784448      5.42255986
  H     -0.67885902     -1.90842333      5.49214543
  H      1.96090787     -3.12241557      0.71299515
  O     -0.47513021     -3.58810088      2.75824740
  H     -0.15578626     -5.42529105      6.23596035
  H      2.55099415     -1.95628233      1.52295802
  O     -3.12624116     -4.23185696      2.51206548
  H     -1.47549654     -5.62055566      5.47261593
  H      0.08358234     -2.18028178      3.54751677
  O      3.27968501     -4.62133792      3.29343518
  H     -5.05349486     -0.44038602      3.76492436
  H      0.97394912     -0.90475468      3.42594272
  O     -3.53684583     -1.68092255      1.47377452
  H     -5.50249743     -1.87127856      4.09717065
  H     -0.00429662     -3.47941143      1.01487407
  O      2.68945541     -2.88464069      1.30236288
  H     -0.74564287     -0.39011445     -0.00408089
  H     -0.43027060     -2.96307974     -0.36793497
  O      0.37151922     -1.37590934      4.01650864
  H     -0.90325490      0.34907491      1.33513102
  H     -4.19022094      1.71968026      4.94509092
  O      0.24389678     -3.48779297      0.07705743
  H      0.38144165     -6.11179486      4.04663609
  H     -3.77781915      0.29767939      5.40091424
  O     -3.87953229      0.87751772      4.62434826
  H      1.70205197     -5.67119258      3.31126225
  H     -2.37445267     -3.66152475      5.47601769
  O     -2.99045730     -4.36927169      5.24003180
  H     -1.97098094     -6.31937504      0.59096877
  H     -3.07303808     -4.37856267      4.27313657
          69
 Energy    -248.43944785267058     
  O     16.13047115      8.38575077    -15.59626615
  H     16.83983426      8.41827557    -14.94094852
  H     16.46402022      9.14364226    -17.11629418
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  H     15.31423755      8.58821237    -15.12343838
  H     16.32344477     12.49669438    -11.06555895
  O     20.14713112     11.38886418    -11.25770457
  H     14.03329064     10.90740542    -14.70764827
  H     15.30338439     12.50054392     -9.90605138
  O     15.00252252      9.48014609    -11.69116789
  H     15.38227704     11.63722307    -14.69667758
  H     18.29538788     16.18487445    -13.61925608
  O     18.09229197     10.27809947     -9.79924129
  H     20.28479719     12.29983689    -11.54111409
  H     19.06427587     17.46588459    -13.23423136
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  H     20.38431602     10.83700445    -12.01289036
  H     20.01098508     11.60401658    -15.93750268
  O     14.91010270     11.86192922    -17.74167135
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  H     20.88659825     12.74560975    -15.39849007
  O     17.96062307     14.21911743    -16.63305729
  H     15.20431587     10.33352144    -11.28885902
  H     17.67418401      8.78705910    -10.51721073
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  H     17.34985796     10.88722248     -9.87936136
  H     17.48428171      7.24917362    -10.46950534
  O     18.31157580     11.48338470    -16.58598265
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  H     15.25715307     13.54513690    -17.91735245
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  O     16.68399999      9.63325995    -17.92994705
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  H     19.58943858     14.51206950    -15.81306069
  O     15.82967483     11.92448161    -10.45512814
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  H     20.16679962     15.38749141    -14.69197092
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  H     17.32421668     14.84575855    -15.02231001
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  H     15.93583148     15.12812026    -14.42966366
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  H     17.16820490     14.43516348    -17.14068075
  H     21.54099859      9.31149790    -13.61575116
  O     15.45674813     14.49890443    -17.87662614
  H     20.23121059     13.84065156    -13.35472627
  H     20.80376220     10.52186241    -14.23149380
  O     20.33547810     14.58598802    -15.19986968
  H     19.85922844     14.92500693    -12.36304685
  H     17.35056346     10.49536837    -13.83840091
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  H     17.85444409     10.85501232    -17.15567353
  H     17.23599816     12.00162003    -13.42862232
  O     20.72853145      9.80954803    -13.57172602
  H     17.87407212     11.44288197    -15.72046688
  H     14.28028864     13.61761658    -15.02200775
  O     17.08197263     11.37270815    -14.14243457
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  H     14.62745820     14.65289196    -16.10469144
  O     14.40489919     14.56514634    -15.16946592
  H     13.00345684      8.64151814    -13.96205406
  H     17.05790770     14.04353923    -12.87617238
  O     17.32639740     13.37938194    -12.22578453
  H     16.81366653      8.98333491    -18.61479977
  H     18.28410352     13.46253722    -12.13837209
          69
 Energy    -248.43925917406031     
  O      2.14926924     -0.68294913      6.38840571
  H      3.02464846     -0.71975386      5.98241046
  H      3.85320717      2.41508620      3.71901772
  O     -1.25250225      1.80932433      6.63850574
  H      1.80431844      0.20290844      6.21660447
  H      1.85843949      1.74260738      2.76712610
  O      0.91124714     -4.92135357      2.55893917
  H     -1.27566032      0.93558993      7.06880998
  H      0.98943397      0.47679276      2.54978982
  O     -3.17165794     -2.28001416      6.29876187
  H     -1.78763070      2.39228464      7.17013767
  H      6.11318367     -0.04779539      1.93394972
  O      2.75040916     -4.50947494      7.21121439
  H      0.19946482     -4.36158258      2.23189986
  H      4.71743103     -0.71756618      1.96206977
  O      4.19866290     -3.27679754      5.28552631
  H      0.73449682     -5.07645327      3.49908073
  H     -0.85227429      1.30134863      3.45430052
  O      0.88562214     -2.49463154      8.04946419
  H     -2.80607449     -2.07928465      5.42051860
  H     -1.63290510      1.39258139      4.78287050
  O     -1.32979158     -0.65727995      7.74009177
  H     -4.12041829     -2.30136180      6.20742625
  H      4.33788786      2.99840014      6.26752061
  O     -1.22827088     -4.19920685      7.10404451
  H      3.31850997     -4.04551945      6.56973320
  H      3.08594962      2.24966775      5.75801023
  O      3.65775829     -1.90818507      1.37132712
  H      3.31568704     -5.10175284      7.69979669
  H      0.77891546     -3.15416360      4.82553808
  O      4.63702265     -0.43425909      5.10246857
  H      4.48120139     -2.35866364      5.21149957
  H      1.22137198     -1.71490351      5.23468777
  O      3.60761860      2.22338582      2.80659663
  H      4.00502069     -3.59117043      4.39323490
  H      4.02994073     -5.17113115      2.44686586
  O      0.98907570      1.35641259      2.95021916
  H      1.34243475     -1.78281463      7.57634672
  H      2.62066014     -4.56694294      2.61867328
  O      5.27748566     -0.04582575      2.39214736
  H      1.48284763     -3.24791958      7.96017114
  H     -0.98535397     -1.85503817      4.26742544
  O     -1.69217287      1.07331163      3.87444060
  H     -0.61871220     -1.25569346      7.99493741
  H     -1.92208334     -0.68593856      3.86163291
  O      4.05298654      2.30799376      5.67432898
  H     -2.01353164     -1.20454425      7.33301045
  H     -1.56643747     -2.59758550      2.43148103
  O      0.73202391     -2.22323733      4.57713806
  H     -1.98567658     -3.65139816      6.86849716
  H     -1.90425726     -3.22228258      1.06057700
  O      3.57081455     -4.37944247      2.71686410
  H     -0.58489082     -3.60409503      7.51241440
  H      1.43844876     -4.96451401      5.92645168
  O     -1.88420974     -1.64911591      3.96604309
  H      3.70866368     -2.79037552      1.75938524
  H     -0.09857469     -4.81925623      5.88153246
  O     -1.18504924     -3.05580601      1.66485975
  H      2.73390799     -1.63863433      1.46487121
  H      1.19755667      1.68368012      4.70935728
  O      0.68508564     -4.94386976      5.32392709
  H      4.58421969      0.47932629      5.41191927
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  O      1.33952080      1.86375246      5.65166620
  H      4.87811289     -0.36652897      4.16840579
  H      0.30082029     -1.77338444      1.60283369
  O      1.02159148     -1.28559303      2.01475396
  H      4.18688074      1.49823510      2.53921443
  H      1.05976675     -1.62605317      2.92320164
          69
 Energy    -248.43919016020442     
  O     15.70536522     12.35483285    -12.83246190
  H     16.50006739     12.25084128    -12.29318275
  H     18.00466301      3.25572114    -13.01331298
  O     13.98437002      6.49345984    -13.46693771
  H     16.00236182     12.22028464    -13.73982910
  H     18.83286332     11.00221214    -13.02416703
  O     16.65729511      6.73493208     -9.92373750
  H     13.43515128      7.23478995    -13.18097321
  H     18.36057187     11.02852787    -14.48138279
  O     18.77341824      7.89390344    -13.76756187
  H     13.76094677      6.31119576    -14.39072636
  H     15.82654530      8.84615770    -14.40871198
  O     13.05273788      9.23827423     -9.19654551
  H     16.17854251      6.12012581    -10.49944172
  H     15.42292117      7.60234632    -13.57880134
  O     12.50300629      8.79325982    -12.83821017
  H     16.07628286      6.91012272     -9.17285081
  H     13.65315981      6.09405559     -9.13645530
  O     16.59426100      9.21980473    -11.10311802
  H     19.06928778      8.81015631    -13.84924886
  H     13.82765523      5.24380542    -10.41024501
  O     16.03164688      7.01685294    -17.11519251
  H     17.80721833      7.95470118    -13.71782106
  H     11.81148163      9.67029610    -15.85610067
  O     11.33632484      7.46404589    -10.68389267
  H     13.37962406      9.84400355     -9.87413030
  H     12.48804516      9.07930228    -14.59990121
  O     17.69461895      5.84436850    -15.33296823
  H     12.35383588      8.72579611     -9.62086879
  H     18.26711265      6.34681918    -10.95596684
  O     13.40310115      6.46244283    -16.14540649
  H     11.97263597      8.37121035    -12.14974422
  H     18.94859494      6.74606310    -12.29654417
  O     17.53972324      4.08802192    -13.04107783
  H     13.08689804      9.42996159    -12.39924317
  H     15.97818181      4.52262934    -12.07348546
  O     19.03304139     10.65252037    -13.90140846
  H     16.66391275      8.39242583    -10.61145754
  H     14.77096042      5.46335390    -12.28420132
  O     16.04939115      8.33591293    -13.62241362
  H     16.43929360      8.97460015    -12.02891908
  H     14.60172524      7.41239894     -7.10257629
  O     13.16280306      5.64568261     -9.83655894
  H     16.61487390      6.57186371    -16.47412450
  H     14.12202083      8.08049599     -8.41219259
  O     12.57843935      9.18499076    -15.56200995
  H     16.35304062      6.78053622    -17.98147314
  H     16.91263344     12.32565710    -16.16396203
  O     18.83904729      6.02363253    -11.66210588
  H     11.95198436      6.75343496    -10.42790155
  H     16.28738330     10.97981565    -15.73664887
  O     15.26488791      4.97433341    -11.60739299
  H     10.45929343      7.15536562    -10.47296718
  H     14.96086272     10.00814121    -11.20804832
  O     14.64263671      7.34049782     -8.05248907
  H     18.25723323      6.51264303    -14.91707673
  H     14.51648972     11.26958118    -11.95189119
  O     16.81123438     11.73416706    -15.42183330
  H     17.55904420      5.16579471    -14.66233821
  H     18.46001071     11.79780078    -10.55012117
  O     14.17312433     10.51456123    -11.45434301
  H     14.26562462      6.56716041    -16.56792824
  H     17.58179603     10.68990698    -11.17590469
  O     18.03494686     11.53069519    -11.36085019
  H     13.01401308      7.34477103    -16.10790487
  H     14.36521693      9.48048680    -15.95531820
  O     15.32403571      9.51924823    -16.06972738
  H     18.07718267      4.72523972    -12.53503468
  H     15.60102420      8.70453033    -16.51190997
          69
 Energy    -248.43916330585495     
  O     10.93783992      8.92167997    -15.72232893
  H     10.87950444      9.69502895    -15.14308249
  H     19.25953183      9.39408234    -15.66465210
  O     15.69973096      7.46451307    -11.55556798
  H     11.21710776      8.18486191    -15.16703795
  H     16.59742704     10.31358907    -10.36973379
  O     15.85791219     12.02163831    -13.64658031
  H     16.20820647      8.10869322    -11.04996477
  H     17.68724889      9.64147095     -9.49990436
  O     12.02644175     10.28573583    -17.79346160
  H     16.16768021      7.36677203    -12.39349049
  H     16.48214972     11.95948367    -16.77511093
  O     13.78402564     10.12717386    -13.75235816
  H     16.56031163     11.39665047    -13.41088715
  H     15.30062325     10.96491742    -16.65290208
  O     13.56911520     13.73942591    -13.69632393
  H     15.83366660     12.04137387    -14.61577748
  H     11.21669664     11.83039553    -13.55098905
  O     12.92142937      7.57224885    -11.65026700
  H     11.61481749      9.73723050    -17.10074021
  H     11.73928158     11.88361561    -15.01844203
  O     17.31235938      9.11957956    -18.17825752
  H     11.46808432     10.21989897    -18.56362525
  H     15.53172142     11.93665638    -11.59397803
  O     12.89226321     10.39014369    -11.11724140
  H     12.96060593     10.54388188    -14.03774619
  H     14.52791105     11.16538716    -10.71453382
  O     18.68827417      7.67802970    -16.33356349
  H     14.47092202     10.80344882    -13.71712204
  H     12.23856916      7.06941539    -13.17111226
  O     16.90012713      7.65690547    -14.15559291
  H     14.43462170     13.32400938    -13.59741167
  H     11.50408939      5.94544102    -13.93425959
  O     19.30625207     10.31569919    -15.38086708
  H     13.30679485     13.58143705    -14.61092073
  H     12.53005929     11.92112535    -16.91102781
  O     17.25546905      9.59616259    -10.34843267
  H     12.72514528      8.41351470    -11.22574337
  H     13.86069620     12.45742483    -16.37252966
  O     15.60813826     11.84250229    -16.38142624
  H     13.88347397      7.46545414    -11.58903449
  H     17.73860676      9.93024333    -12.11904438
  O     11.29597105     11.32169768    -14.36699098
  H     17.62346079     10.02848705    -18.09108645
  H     17.39977700      9.24404301    -13.46331524
  O     15.41314473     11.55680405    -10.71864930
  H     16.35974490      9.14676413    -18.01391925
  H     14.53379676      8.76226485    -16.60170160
  O     11.92634125      6.79199102    -14.05194657
  H     12.34884473     11.17262492    -11.26906355
  H     13.77650024      9.65609908    -17.61897869
  O     12.90220745     12.57129135    -16.30006339
  H     13.22985405     10.13267635    -11.98992224
  H     12.33994451     13.22525164    -12.52175936
  O     17.71655031     10.07305560    -13.07297797
  H     18.18896622      8.11986181    -17.04365346
  H     11.17833267     13.50948361    -11.53994100
  O     14.65705938      9.39625908    -17.32293688
  H     19.22957068      7.01238526    -16.74925270
  H     18.83743759     12.34445891    -17.78183290
  O     11.62868747     12.80849392    -12.00368497
  H     16.01124655      7.62649901    -14.53847654
  H     18.64707160     11.30477307    -16.64989859
  O     18.19892679     11.75628147    -17.38848338
  H     17.52589842      7.53490495    -14.87976533
  H     13.56661656      7.25500672    -14.87150747
  O     14.31350040      7.82614490    -15.08109471
  H     18.88963335     10.34132904    -14.50958172
  H     14.16074449      8.63608304    -14.56481760
          69
 Ord_Energy   -248.438889    
 O   -4.61291313       8.05069581E-02   2.37986183    
 H   -4.50246048       1.02409101       2.20599365    
 H   -5.48720789     -0.173740298       2.05376697    
 O   -1.95094419       2.09247184      0.975031018    
 H   -1.46165657       1.62153184       1.65963173    
 H   -1.99724710       1.50634611      0.209059834    
 O   -7.13760376     -0.548596919       1.46801543    
 H   -6.98052979      -1.17009377      0.747918606    
 H   -7.47490978      -1.04739594       2.22776246    
 O   -2.72357750       1.58154762       4.94447136    
 H   -1.99158037       1.31406093       4.37524176    
 H   -3.22438669      0.781405210       5.13707733    
 O   -7.15077543       2.23362064       1.33649802    
 H   -7.22338200       1.26647413       1.36554670    
 H   -6.20908260       2.46339345       1.38623703    
 O   -4.46122074     -0.728999019       4.96437025    
 H   -4.47555399     -0.409299225       4.04631758    
 H   -5.30438042     -0.475526690       5.36235332    
 O   -2.32400799      0.232722163      -1.15557253    
 H   -3.28107524      0.184285119      -1.34022462    
 H   -1.87755740      0.179885775      -1.99569237    
 O   -4.96188450      -3.99622694E-02  -1.54844189    
 H   -5.40930176     -0.845844030      -1.27002406    
 H   -5.63069344      0.658739328      -1.56670582    
 O   -2.20011044      -2.37640285       5.34790945    
 H   -2.54242897      -3.27756619       5.38952160    
 H   -2.96985960      -1.79413867       5.37078667    
 O   -6.95428991       2.32074451       4.22156191    
 H   -6.14726639       2.83614063       4.34329844    
 H   -7.17369175       2.37278652       3.28381228    
 O   -5.27122831      -3.28937840       3.91173720    
 H   -4.96901703      -2.44886041       4.27849293    
 H   -4.73037577      -3.97244954       4.32916546    
 O   -7.02937984       6.23175502E-02   5.69699478    
 H   -7.50905371      0.236312002       6.50230598    
 H   -7.05497837      0.882699251       5.17118120    
 O  -0.863279581      -2.00520396       2.96547914    
 H   -1.53309727      -1.81445217       2.28976774    
 H   -1.31155193      -2.13137031       3.81785369    
 O   -2.05927992      -4.67254448       2.53030205    
 H   -1.48329425      -3.90044260       2.57988620    
 H   -2.77842808      -4.44107866       1.93045628    
 O   -4.41738129       3.63431454       4.43718004    
 H   -3.77514291       2.94012785       4.67026949    
 H   -4.14945555       4.42595577       4.89561558    
 O   -4.45545149       2.78853369       1.76425958    
 H   -3.55613089       2.67180133       1.42113018    
 H   -4.38919592       3.22705245       2.62180424    
 O   -7.74780893      -1.92136264       3.74609852    
 H   -7.62177038      -1.28968453       4.46525335    
 H   -7.03089428      -2.56401634       3.82645535    
 O   -6.27183008      -2.39237618     -0.489477903    
 H   -6.75125551      -3.03423119      -1.00778139    
 H   -5.64760303      -2.88948703       6.40712976E-02
 O  -0.611285269      0.757742345       3.17890954    
 H   0.283758253       1.02149940       3.38272214    
 H  -0.601104379     -0.210231587       3.11519027    
 O   -6.91711855       1.94348443      -1.45092964    
 H   -7.10389805       2.14839864     -0.523041427    
 H   -7.32917976       2.63751888      -1.95954728    
 O   -2.73907876      -1.38653123       1.05990553    
 H   -2.48999977     -0.928848088      0.248394713    
 H   -3.37239718     -0.815667689       1.52241874    
 O   -4.42652082      -3.53014231       1.22594833    
 H   -3.80459213      -2.79431295       1.10698533    
 H   -4.77928495      -3.46050787       2.12442899    
 O   -3.29720616      -5.00006151       4.93338919    
 H   -3.15408325      -5.85484791       5.32962894    
 H   -2.80703664      -4.99209642       4.09142447    
          69
 Energy    -248.43888786957945     
  O     -1.59081924      0.07257258      2.24275606
  H     -1.72123443     -0.79318512      2.61964549
  H     -2.94285377      4.39022439     -1.56258615
  O     -3.44743486      2.03555518     -3.82854050
  H     -0.70773309      0.36995794      2.52837482
  H      1.78999860      3.68929649      4.99925005
  O     -2.40035031      4.63574383     -4.51985308
  H     -4.19262099      1.54670186     -4.16885533
  H      1.92460229      4.01300049      3.49019792
  O     -4.89144796      3.71795717      1.15572770
  H     -3.66336633      2.27183340     -2.91035317
  H      0.09777717      3.98653805     -0.28941538
  O     -1.35644215      6.93894064      2.19618205
  H     -1.45487003      4.44310479     -4.55634451
  H     -0.28658535      3.67902427      1.19771602
  O      0.87173449      0.96531177      2.93074470
  H     -2.83202124      3.77433746     -4.45670347
  H     -4.23748535      3.03391987     -0.42460743
  O     -0.79697456      1.39207779     -2.98939007
  H     -5.75284027      3.66883081      1.56074040
  H     -3.01182877      2.15878300     -0.81415464
  O      2.22632802      1.61050122      0.56854566
  H     -4.27222432      3.25141267      1.74789815
  H     -2.65427891      1.62314910      2.59013041
  O      2.01438633      1.51181783     -2.26136440
  H     -1.57815930      7.73548782      2.67061697
  H     -2.33984661      3.11746876      2.81002594
  O      2.70280171      4.90289265      2.26675622
  H     -2.13142983      6.70967562      1.65157855
  H     -1.00435449      1.95403840     -0.08355074
  O     -3.43283456      6.15254294      0.66807120
  H      1.43819307      1.02064531      2.14885237
  H     -1.62738472      0.65075462      0.46007207
  O     -2.60577295      5.25369485     -1.83751846
  H      1.05034447      1.76661681      3.43637325
  H     -0.16962456      4.06543822      3.39069014
  O      1.39880929      3.51835783      4.14735284
  H     -1.01470375      1.21392073     -2.06259532
  H     -1.03305449      5.20314816      2.73699911
  O      0.01095650      3.28629466      0.36670255
  H     -1.64785651      1.47362953     -3.43752545
  H      0.25329232      6.78569991      1.19630386
  O     -3.70498218      2.73318511     -1.17154191
  H      1.49028346      2.24178971      0.52498704
  H      0.79353973      6.29765629     -0.16114036
  O     -3.06582165      2.48888092      2.68608648
  H      3.03139262      2.14152886      0.60676247
  H      0.28525601      4.78214019     -2.51755256
  O     -1.56027307      1.19690106     -0.33088979
  H      2.07827222      1.31426792     -1.31655091
  H     -0.80823576      5.37138369     -1.62487543
  O     -0.92804602      4.24716086      2.82005418
  H      1.12697723      1.25806850     -2.53489301
  H      1.15532163      3.55963995     -4.37860783
  O      1.06462175      6.55419975      0.72668023
  H      2.18038309      5.51966516      1.73417811
  H     -0.04702665      2.91213819     -3.66038800
  O      0.14909086      5.22858516     -1.67038726
  H      3.33617090      4.48906723      1.66975594
  H      3.89947501      3.80621472     -0.44935128
  O      0.28405037      3.74542978     -4.03302032
  H     -3.18701527      6.01948257     -0.25758243
  H      5.25925163      3.50212382      0.22160059
  O      4.32013090      3.52699490      0.38319605
  H     -3.98664152      5.39892955      0.90266938
  H      2.12703046      4.65292232     -1.74205370
  O      2.91087278      4.11269535     -1.87021609
  H     -2.61113886      5.23907985     -2.80520029
  H      2.59710076      3.22024714     -2.08951051
          69
 Energy    -248.43840160429860     
  O     13.08003503      9.57524443    -11.72150230
  H     13.55716539      9.28806060    -10.93497004
  H     15.11560582     13.96109281     -7.51993149
  O     11.50686485      6.39859628    -13.79298235
  H     13.34411196      8.99511554    -12.44526217
  H     11.57594321     12.21611943    -10.25461991
  O     12.05080956     12.12976163    -11.96137135
  H     11.61937348      6.19986926    -12.84621073
  H     10.52722220     11.62292285     -9.28677505
  O     15.90703455      7.71275819    -12.09794549
  H     11.13415398      5.61917616    -14.19565187
  H     12.68881496      8.55843080     -9.18409379
  O     13.89529296     15.87085876    -10.39477969
  H     12.75371527     12.76852975    -12.12700284
  H     13.79171823      9.52668035     -8.67142648
  O     11.94573968      6.02762671    -11.15187912
  H     12.45888336     11.25008165    -11.97336328
  H     14.33050265      7.11626290     -9.55427595
  O     14.31059220     13.73129660    -12.18467930
  H     15.26769534      7.66892884    -12.82445274
  H     14.95714445      5.71950656     -9.33300118
  O     15.99088677     14.53875154     -8.92615818
  H     15.55951966      7.14643556    -11.40028915
  H     15.03280485     11.75030864     -9.72222111
  O     11.06549978      8.46768945    -10.09147625
  H     13.28959110     15.46955114     -9.74604279
  H     16.04337627     11.43773082    -10.88168774
  O     12.38285261     14.63090625     -8.49711460
  H     13.65329025     16.79048394    -10.46271050
  H     10.80269731      8.18671900    -14.08549511
  O     14.90493195     11.63918112    -14.00209624
  H     12.84379162      5.99165414    -10.80315439
  H     11.37063561      9.52109216    -14.60884197
  O     14.51135827     13.57448577     -6.86055545
  H     11.50947449      6.76376649    -10.70065987
  H      9.78856173     10.23063448    -13.02092881
  O     11.33446345     12.14741724     -9.31742021
  H     14.79574575     13.17855553    -11.55224881
  H     10.33152637     11.49501555    -12.33863430
  O     13.64249532      8.64504176     -9.03780154
  H     14.15162409     14.56692256    -11.73020972
  H      8.17365016     10.47990122     -9.53969125
  O     14.59054498      6.29195738    -10.00240495
  H     15.41756897     15.11926570     -9.44183339
  H      9.16859015     10.60660205    -10.72155344
  O     15.65640353     12.14244488    -10.34735839
  H     16.07208404     13.72572251     -9.44488771
  H     13.69271631     10.74370082    -14.88232455
  O     10.58876990      9.11769270    -14.21312729
  H     11.53713433      8.89583086    -10.82133199
  H     13.07318919     10.44067204    -16.26356527
  O      9.56864205     10.90220979    -12.35959449
  H     10.31663397      9.03716533     -9.88207499
  H     17.62507862     10.30059445    -12.40174645
  O      9.09948064     10.44274735     -9.76092071
  H     11.87644303     13.84694622     -8.74741847
  H     16.44038687      9.35823490    -12.09980951
  O     13.07300448     10.15814741    -15.35266013
  H     13.00034325     14.33682368     -7.81659071
  H     13.09548833      7.29819735    -13.95422887
  O     16.70155858     10.29329660    -12.16110330
  H     15.51625672     11.15451221    -13.43497156
  H     13.66247912      8.61912404    -14.54485406
  O     13.84521713      7.90675767    -13.91769821
  H     14.72072505     12.46988143    -13.54606105
  H     14.08136869     11.97531587     -7.73524922
  O     13.81328943     11.31103138     -8.38203284
  H     14.85409930     13.80522803     -6.00176638
  H     12.92471063     11.55852804     -8.67889937
          69
 Energy    -248.43832401649155     
  O     14.42122801     10.00045415    -10.68589195
  H     14.42764859     10.51443153    -11.50474830
  H     18.01254875      3.75890902    -11.49812198
  O     13.44771973     10.18497499    -16.55235627
  H     15.19537702     10.25239715    -10.16533984
  H     12.26879197      7.74151932    -10.50384806
  O     17.11955001     10.19425962    -13.88858073
  H     13.64762059     11.08758104    -16.27326065
  H     13.23402412      8.81193824     -9.95771138
  O     13.09707834      4.98312076    -12.40264217
  H     12.98276596      9.77951232    -15.81062927
  H     15.32752814     12.40762084    -15.82835702
  O     16.74379970      7.87417106     -8.23783849
  H     17.56345997      9.92126523    -13.07512235
  H     14.33920429     13.59641809    -15.73557020
  O     16.82450795     11.61528318    -16.28275009
  H     16.20939829     10.41432316    -13.64685295
  H     12.10030630      8.55077052    -13.41326367
  O     15.50999725      7.71010360    -11.91985296
  H     13.79069381      4.97935353    -11.72980597
  H     13.31719745      8.37321097    -14.32607806
  O     14.44919543     10.96968190    -13.27494843
  H     13.52256011      4.66989535    -13.20933246
  H     15.68886316      9.11632953    -18.54307704
  O     17.90219008      9.08322738    -11.48814257
  H     15.95276195      7.32805324     -8.18195138
  H     14.93306696      9.52052393    -17.25745419
  O     17.20402880      5.18122146    -14.46833010
  H     17.40144838      7.38038004     -8.75021305
  H     10.60305848      6.89612302    -12.14300054
  O     14.61386862      4.44662300    -14.75344018
  H     16.60612187     10.87707893    -16.86445921
  H     12.05682050      6.39674272    -12.28276401
  O     17.73005369      4.64790421    -11.70215742
  H     17.12328545     11.21030534    -15.45584929
  H     13.85000637      6.06883827     -7.46483501
  O     12.74931373      8.01132880     -9.71273824
  H     15.02149961      8.43505856    -11.50738855
  H     13.70784565      6.94182652     -8.73518170
  O     14.44283766     12.67417929    -15.51916194
  H     15.14800969      7.55886969    -12.80159714
  H     14.98134292      5.48090455     -9.74909870
  O     12.63354661      9.01460567    -14.06767481
  H     13.77548860     10.32027388    -13.52725483
  H     15.38501938      6.17130404    -11.07057337
  O     15.80443802      9.26414448    -17.60802193
  H     14.40017998     11.68123184    -13.92448334
  H     18.62907090      7.56296854    -10.54120586
  O     11.50969251      7.19353273    -12.16404553
  H     17.13454031      8.51423626    -11.66021867
  H     18.44483228      6.03776938    -10.56740448
  O     14.30953423      6.34581590     -8.25257929
  H     17.65740287      9.63420260    -10.73312114
  H     15.44540831      7.47311423    -14.93264285
  O     15.28321143      5.30200308    -10.64773519
  H     17.50654248      5.11641943    -13.55399418
  H     14.47235976      6.29223537    -14.66119259
  O     18.63029104      6.77788245     -9.97872358
  H     17.37623075      6.07875935    -14.77684285
  H     16.75846677      9.49012930     -8.78689572
  O     14.59126903      7.24183124    -14.54338248
  H     15.56967958      4.61406566    -14.66056779
  H     17.12197094     10.98327480     -8.58168900
  O     16.78072100     10.36466638     -9.22083364
  H     14.50997263      3.84850774    -15.48832186
  H     16.76808702      8.27045589    -16.33003911
  O     17.08722034      7.90757731    -15.49265569
  H     16.85361220      4.76151451    -11.29650361
  H     17.21606418      8.66845497    -14.90780123
          69
 Energy    -248.43818037374348     
  O     18.34167977      9.57126961    -15.25912135
  H     18.88659841      8.77940982    -15.15835700
  H     19.98735821      3.77218130    -12.50891005
  O     21.70509118      7.35911022    -12.44582816
  H     18.65664873     10.17514961    -14.57722818
  H     16.49555143      9.40580971    -14.97889731
  O     15.59649428      8.82194510     -9.63845521
  H     21.21872376      8.00584155    -11.90380348
  H     15.99055759      9.43602051    -13.54263235
  O     13.29655014     10.15453225    -13.16999095
  H     22.62593852      7.60384680    -12.40232044
  H     18.58341811      7.13176654    -13.23514550
  O     11.97480165      7.65331263    -13.55127837
  H     14.83631767      9.40830778     -9.74923881
  H     17.32488340      6.26174014    -13.03634019
  O     18.54238390      6.12716804    -10.05726568
  H     15.33233083      7.97045855    -10.01985018
  H     15.17511773      6.12176022    -14.07476083
  O     14.60135545      6.59879443    -10.98184786
  H     12.71793886      9.40632147    -13.36503250
  H     14.99064000      7.66984233    -14.14016979
  O     20.73234807      4.89529675    -11.32468061
  H     14.06372575     10.04288619    -13.74537392
  H     17.33725224      8.78573332     -9.07174090
  O     16.30158197      4.47484758    -10.29830815
  H     12.85455084      7.26794433    -13.70588849
  H     18.42853754      8.96933292     -7.99753733
  O     16.79593839      2.82333682    -12.35337262
  H     11.39490658      7.28996907    -14.21542876
  H     19.32151221      4.15449127    -14.63360353
  O     19.83787653      7.27786808    -14.53967104
  H     18.53034018      6.92938524     -9.52498228
  H     19.36258101      4.21918687    -16.18298253
  O     19.51091514      3.27510780    -13.19130298
  H     18.33944973      6.40517554    -10.96468979
  H     13.36875359     10.31160865    -11.42056469
  O     15.68509144      9.33246312    -14.45740062
  H     14.67721188      6.68771188    -11.93984486
  H     12.88896334     11.08604637    -10.17246281
  O     17.85793126      6.95026094    -12.62226979
  H     13.68578306      6.82714334    -10.76303155
  H     19.91941942      9.89166394    -11.62848197
  O     14.58390526      6.84661666    -13.83294149
  H     21.15538757      5.67694875    -11.69849463
  H     19.61480467      9.08211167    -10.34680200
  O     18.29061337      8.70975633     -8.90590678
  H     20.05048674      5.23384682    -10.72952566
  H     18.76216430     11.96770454    -12.69431329
  O     19.10521676      4.70950121    -15.40734635
  H     17.10148779      4.96012351    -10.05567184
  H     18.15532022     10.56087486    -12.48228398
  O     13.34773970     10.29622030    -10.44699905
  H     15.62597282      5.14569568    -10.46374131
  H     17.33551141      4.88705779    -14.72204049
  O     20.26027041      9.19530890    -11.05256797
  H     16.60900702      3.36052380    -11.56173142
  H     16.56249648      4.16603464    -13.58561289
  O     18.94904677     11.03637258    -12.78536564
  H     16.38742290      1.97398592    -12.21217180
  H     12.37006372      8.58077800    -10.50625520
  O     16.55810939      4.94947339    -14.15315679
  H     20.59184073      7.25322799    -13.93555152
  H     11.87210803      7.65435740    -11.63155654
  O     12.08524695      7.67730367    -10.68914438
  H     19.70562924      6.39245074    -14.90431218
  H     16.40155288      9.34734457    -11.17995033
  O     16.88777561      9.43609679    -12.00587626
  H     18.66456960      3.01479045    -12.81105196
  H     17.25011556      8.55972792    -12.21448392
          69
 Energy    -248.43802258352966     
  O     17.97671325      8.88780649    -10.31825653
  H     17.88876171      7.98296613     -9.98826008
  H     18.12331999     11.87818859     -8.68612367
  O     14.90693106     10.34585421    -11.56272538
  H     17.17444081      9.34366383    -10.03823804
  H     16.43989113     11.51457093    -11.77047987
  O     19.86073056      3.08046551    -11.32756168
  H     15.04299080     10.22332976    -10.60751235
  H     17.21130106     12.32990369    -10.71211803
  O     21.10344460      7.10236845    -11.96561928
  H     14.00994694     10.65334057    -11.67425755
  H     19.50791570     10.14258770     -7.83075665
  O     15.75418488     10.09379679     -8.98399723
  H     19.91246037      2.14055186    -11.18056294
  H     18.98113683      9.98269904     -9.27399474
  O     18.47856855      4.97518137    -14.78976424
  H     18.97212660      3.26253813    -11.68657386
  H     19.43512466      9.86503966    -12.91583012
  O     22.67832682      8.69352615    -10.26072221
  H     21.74356488      7.61031155    -11.45277324
  H     18.71834683      8.91626699    -11.92895895
  O     16.86191955      8.24280903     -7.27347559
  H     20.46480156      7.73651192    -12.32229573
  H     20.67280425      4.10632403    -12.77031538
  O     21.14282362      7.40828311     -8.19827096
  H     16.16733215     10.94155887     -8.77770407
  H     21.06154102      5.57933754    -13.01685636
  O     19.60217419      8.85625642     -6.52418025
  H     16.03862955      9.45798125     -8.30900812
  H     17.68444814      4.17446775    -13.26451936
  O     17.51814619      6.36905479     -9.26089132
  H     18.54504436      4.58698624    -15.65838381
  H     16.82041737      4.30273715    -11.98447668
  O     17.33422469     12.43617835     -8.80044182
  H     19.36503707      4.92063002    -14.39139400
  H     20.87256260     11.32590327    -11.33405970
  O     17.20789478     12.08451780    -11.64518473
  H     23.61939628      8.84644842    -10.24567209
  H     20.74176686     11.02081223     -9.82813395
  O     19.36684669     10.62319566     -8.65602674
  H     22.25514081      9.55980390    -10.39732981
  H     15.96106415      7.61710577    -13.20560334
  O     19.20951295      8.94035740    -12.76533416
  H     17.01389993      7.48194424     -7.85235920
  H     15.18126776      8.54941865    -12.24228995
  O     20.84767977      4.75028985    -13.46721707
  H     17.72919011      8.46159737     -6.91397154
  H     18.03020078      8.04901488    -13.88157239
  O     17.48699592      3.75591836    -12.41686979
  H     21.71705156      7.86362225     -8.82551342
  H     17.71878422      6.68451710    -14.53508208
  O     21.37460412     11.04824469    -10.55873392
  H     20.79229634      6.64118910     -8.66926322
  H     19.77804898     12.33707871    -13.47043024
  O     15.29975703      7.62968731    -12.49566644
  H     19.95484657      8.79716445     -5.64069289
  H     18.77566281     11.87931863    -12.38587098
  O     17.33544881      7.54436769    -14.32536164
  H     20.15997298      8.28647613     -7.08589792
  H     15.47056404      6.20713974    -11.58016868
  O     19.66253431     11.71790879    -12.75454546
  H     18.37328906      5.96319259     -9.45850445
  H     14.74560832      5.05392561    -10.84476917
  O     15.60988906      5.39661646    -11.05587556
  H     16.85681713      5.97331694     -9.84333812
  H     20.04223292      4.59292142    -10.28701147
  O     20.05129691      5.49426432     -9.94272586
  H     17.44990643     13.19993008     -8.24172724
  H     20.36775474      6.05780188    -10.66421642
          69
 Energy    -248.43782947194893     
  O      8.54414077      3.37396321      1.52997452
  H      8.43972525      2.41386455      1.63744916
  H      6.11902504     -1.58697162     -2.84680086
  O      6.83694914     -3.39126463      0.52336268
  H      9.43865934      3.58275573      1.78833003
  H      4.88618951     -0.75808263     -4.20174029
  O      4.48690697      2.05897877     -3.15510582
  H      7.55538513     -2.75840021      0.34141027
  H      3.68702902     -0.74517305     -5.18009106
  O      8.79024929     -0.05439732     -2.51053402
  H      7.21905093     -4.26366029      0.48672456
  H      4.23080419      3.33195995      1.19997972
  O      3.86996977      1.50376591      1.41143780
  H      3.88864432      2.01148539     -2.39595370
  H      3.73562148      4.56927533      0.42301613
  O      7.06556992      2.04746973     -2.17223813
  H      4.29800692      1.27978540     -3.69172514
  H      3.29148365      4.90568013     -1.64625620
  O      2.76463206     -0.82200594     -1.69774086
  H      9.59940155      0.22221264     -2.93440555
  H      1.92271900      5.49841753     -1.22697686
  O      4.78454490      4.81964912     -2.57541872
  H      8.24337001      0.74333624     -2.41001211
  H      6.33986315      1.14220608     -0.76484263
  O      3.01334270     -1.23254596      1.18259234
  H      4.12558588      1.56620888      2.34592850
  H      5.81433058     -0.27345192     -0.41270013
  O      4.91504739      1.76153861      3.86957089
  H      4.63829468      1.17017678      0.92001760
  H      4.48091247     -1.88665453      2.10121313
  O      8.04634312      0.67369953      1.77614900
  H      6.21714946      2.01086367     -2.63738424
  H      5.83110142     -2.62274776      1.90779560
  O      6.46632359     -1.28873366     -3.70275938
  H      7.07219594      2.86477212     -1.65387052
  H      5.97673104      4.25107275     -0.01989661
  O      3.97221735     -0.44216320     -4.32223863
  H      2.57220299      0.10238670     -1.48913049
  H      7.49699780      4.05435411      0.11625150
  O      4.45074027      4.24813893      0.98432012
  H      3.05110638     -0.81456195     -2.61973990
  H      8.77050466     -1.05227566     -0.85659358
  O      2.53423713      4.79029932     -1.04449138
  H      5.57798731      4.81065289     -2.02785006
  H      8.67352050     -0.76868523      0.65812673
  O      5.98651172      0.60402764     -0.04647041
  H      4.72584146      3.94100365     -2.97541470
  H      2.97119134      1.79399169     -0.14173110
  O      5.32362711     -2.08834322      2.52976226
  H      3.13959108     -0.29661234      1.38404182
  H      2.39549960      2.88194634     -1.07206463
  O      6.80039794      4.23028400     -0.52911285
  H      2.69677689     -1.25673388      0.27380607
  H      5.65508834     -2.50432951     -0.63140321
  O      8.71219802     -1.47981563      0.00646761
  H      5.55108696      1.05805640      4.04238227
  H      4.42163612     -1.68580141     -1.20648834
  O      2.63208786      1.94691185     -1.03541897
  H      5.42200980      2.58308331      3.79131190
  H      7.08532144      3.92430864      2.71161065
  O      5.37536371     -1.82299492     -1.25400080
  H      7.72475047      0.33127992      2.62066009
  H      5.63314540      4.39082937      2.52854209
  O      6.27154273      4.10649708      3.19498956
  H      7.29593507      0.63025554      1.16277850
  H      7.01463669     -0.82443370      4.84798795
  O      6.78104693     -0.39857201      4.02786233
  H      7.33295879     -0.92424438     -3.49917838
  H      6.22876617     -1.03002193      3.52981291
          69
 Energy    -248.43778751963703     
  O     12.03876356     10.98323031    -15.45925182
  H     11.23634791     11.41630509    -15.73748828
  H     19.34934387      5.63143134    -12.59255415
  O     15.96323370      6.73950795    -12.78310747
  H     11.95248278     10.82148923    -14.50240983
  H     16.71339818     11.44231215    -18.38761453
  O     18.02390999      9.57643442    -15.66221666
  H     15.92748477      7.53160481    -13.34569827
  H     15.85503430     11.24239553    -17.11790514
  O     12.16493076      6.33806937    -14.65909005
  H     16.89153068      6.49412567    -12.69350243
  H     15.58188256      9.83622420    -13.96440159
  O     16.11715336     11.66182785     -9.41688279
  H     17.69098546     10.04424632    -16.43636594
  H     14.89724241      8.82542166    -14.93032357
  O     14.36253236      8.06157550    -10.99460110
  H     17.23292296      9.29628190    -15.17746575
  H     12.48767958     10.68784259    -12.19001372
  O     15.50167938     11.53605092    -13.35879162
  H     13.04583914      5.92020162    -14.70857353
  H     11.73610908      9.42254405    -12.62909903
  O     18.59354268      6.83888719    -15.41819535
  H     11.56576291      5.77610823    -15.14325991
  H     19.20118631      9.42123393    -12.35001163
  O     16.70931049      9.03203391     -9.64035403
  H     16.35922372     10.71711683     -9.38748804
  H     18.70449417      8.01483001    -11.99116186
  O     16.40390118      5.87431355    -16.96879375
  H     16.23364313     12.00431468     -8.53514337
  H     11.08256898      7.11786853    -11.73597187
  O     14.63963057      5.35539452    -14.79937325
  H     14.94214411      7.54324769    -11.57373158
  H     11.92385466      7.10290587    -13.03078099
  O     18.71639227      6.31863207    -12.77952812
  H     13.46499439      7.84239525    -11.26924085
  H     19.19295362     10.30236034    -14.41018833
  O     16.50669025     10.81361016    -17.70140759
  H     16.35704752     11.67308699    -12.92901542
  H     19.25284655     11.33096713    -13.26041626
  O     15.65485862      8.95060532    -14.34540040
  H     14.87267426     11.38033534    -12.64231154
  H     17.28263817     11.85470510    -10.94886096
  O     11.84687513     10.35824034    -12.83402832
  H     18.56348084      7.78791179    -15.59819385
  H     17.99564253     10.71924027    -11.70126185
  O     18.66737432      8.93449945    -11.70338688
  H     17.88572030      6.44833923    -15.94479490
  H     15.78642829      9.06115135    -17.90925489
  O     11.80163366      7.55900028    -12.18339551
  H     15.92824491      8.58080983     -9.98283251
  H     14.57055108      8.33032671    -17.30885788
  O     19.72194137     10.58618965    -13.65027264
  H     17.41460317      8.90297375    -10.28895920
  H     14.58931456     11.25848579    -10.47459919
  O     17.74510163     11.65165026    -11.77104479
  H     16.05954192      6.71165974    -17.32812944
  H     14.16205560      9.89486882    -11.06914309
  O     15.35299567      8.20100703    -17.86294463
  H     16.55711935      5.30060899    -17.71534435
  H     13.77501429     11.71186279    -15.91633953
  O     13.99759205     10.84864897    -11.11698446
  H     15.11641604      5.71069585    -14.03623747
  H     15.04277830     11.93704911    -15.08562849
  O     14.70908626     11.93369423    -15.99424294
  H     15.22561207      5.46656560    -15.55783524
  H     12.83984178      9.38514487    -15.85001067
  O     13.35921656      8.57720939    -15.95434611
  H     18.74105541      6.47545082    -13.74177471
  H     12.86718848      7.85316888    -15.55144917
          69
 Energy    -248.43778360505581     
  O     -1.00338237      7.19396770     19.07830386
  H     -0.22813070      6.94872980     18.54215062
  H     -0.03034975      7.67204332     20.59327646
  O      5.01173506      9.39972709     19.14767422
  H     -1.66167708      6.51841811     18.93920879
  H      2.07862474     10.64201614     22.48358418
  O      0.16774251     10.46867893     15.84859605
  H      4.06603877      9.22191417     19.27163510
  H      2.70252115     11.37725377     21.27854385
  O      4.39876482      8.42820372     21.80285482
  H      5.07003265      9.97559534     18.37171130
  H      5.38256319     11.77788061     17.32178678
  O      5.17299127     12.51444765     22.16476900
  H     -0.33335293     10.26140057     16.66072242
  H      3.95067139     11.21405868     17.04993587
  O      3.50435908      5.27649648     18.60961789
  H     -0.44112830     10.89205851     15.25038919
  H     -0.25154743     11.06162431     21.25736169
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  O      4.41856451     14.31958810     20.28612764
  H      4.86136067      8.61518835     20.98093976
  H      2.25374201     12.22713641     19.04150953
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  H      4.42134946     11.92705709     22.32263366
  H      2.89566868     13.26808327     20.00219170
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  H      5.84209616     11.97389068     21.72689943
  H      5.55408726     13.47906887     18.99267664
  O      1.28719795      6.71686334     17.70570396
  H      3.84138013      4.39076476     18.50250916
  H      6.58489770     12.35518673     19.15934998
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  H      4.14655877      5.87380786     18.18739737
  H      2.18078923     10.42952470     18.09801948
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  H     -0.86471729     10.47130198     18.93308957
  H      1.54200983     11.13305590     16.87821595
  O      4.89590572     11.05309099     16.90294151
  H     -1.14856864      9.01441374     18.48656747
  H     -0.14309603      9.89756904     23.65087689
  O     -0.33480585     11.43487953     20.37279953
  H      4.71127889     13.75544022     21.02538141
  H      0.39323763      9.27995483     22.33554179
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  H      4.46187690     15.22140053     20.59244082
  H      5.26366138      7.81346388     18.12240978
  O      6.13810390     12.89329774     18.49479709
  H      3.03040212      5.88302789     20.42305343
  H      4.99439014      7.55486119     16.63741072
  O      2.24184330     11.21847584     17.53605127
  H      3.38269765      6.91751162     21.52270179
  H      7.65221539     10.42671539     20.73024833
  O      0.32793925     10.10608754     22.84906924
  H      2.01451302      8.21488696     18.56356117
  H      6.25620316     10.36880711     20.07540015
  O      5.15624597      7.10554553     17.47543725
  H      1.78489758      8.85139468     19.94188579
  H      4.78657485      9.68269360     15.77364169
  O      6.89857435     10.96283223     20.49384861
  H      2.00129090      6.11242374     17.94186458
  H      5.10142402      8.94750633     14.45234933
  O      4.62078393      8.86641576     15.27277173
  H      1.47938182      7.11956007     16.84395764
  H      1.29085009      8.96436109     15.51204566
  O      1.84097400      8.17092036     15.49602180
  H      1.30217415      7.27442323     21.31193769
  H      2.75106700      8.45557604     15.35351442
          69
 Energy    -248.43760667560719     
  O      2.42441068     -0.67155058     -2.77708148
  H      1.98772103     -0.68538789     -3.63768755
  H     -0.30699602     -1.27013926      0.01026073
  O     -1.56461662     -2.07455276     -1.10601798
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  H     -5.89586718     -3.14905574     -5.00029764
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  H     -2.48202645     -2.31647282     -1.28100977
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  H     -0.49552683      0.61581258     -2.40338833
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  H     -1.27272270     -0.71607457     -2.33927815
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  H     -4.31070270      0.27109442     -3.54070728
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  H     -4.69909254     -2.12345799     -2.19429584
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  H     -3.94525505     -4.03073011     -5.03585428
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  H     -4.68694456     -5.16513109     -4.31796559
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  H      0.93573313     -3.82831778     -1.44703663
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  H      0.07288522     -3.96441217     -5.07185039
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  H      0.38847252     -2.44123458     -4.74110412
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  H     -0.61030869     -0.59182312     -8.26114584
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  H     -1.21844255     -2.94959028     -7.66787288
  O     -1.64438888     -3.80078321     -7.81358417
  H      1.20352546     -1.53895651      0.08902704
  H     -1.26733594     -4.41769056     -7.17441371
          69
 Energy    -248.43696599296311     
  O     12.05971430      9.65104100    -10.89170310
  H     11.57564371     10.30072295    -11.41378486
  H      9.14393866     12.83787197    -10.43867531
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  H     11.51163664      9.06433607     -9.29497237
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  H     12.32829922      6.73021214    -12.01475851
  H     11.17553905      9.56649270     -7.87797438
  O     14.39124190     10.38639725     -9.65467373
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  H     11.69305521     11.85819687     -7.76922831
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  H     10.26626828     12.27319148    -12.07133809
  H     10.70939549     11.75857452     -6.58460535
  O      8.24170278      9.08723627    -11.11482367
  H     11.65134709     12.00267105    -12.71544254
  H     12.54852684      7.39402243     -8.48540411
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  H     14.86095456      9.58184475     -9.40823699
  H     12.69541680      6.21245606     -9.46329636
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  H     13.60084601     10.11705009    -10.14728825
  H     15.22371309     11.47913924    -10.83580351
  O      9.55164956      7.02900963     -9.71163232
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  H     15.96218469     11.50214453    -12.18890809
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  H     10.25853416      8.92297184    -14.00480852
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  H      8.74917554     10.56740291     -9.95528978
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  H      9.53716226     11.28003320     -8.80878022
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  H      9.03280672      7.66189797    -10.22367503
  H     13.43619951     11.39997696    -14.11477794
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  H     17.06464674      9.93461587    -13.93087097
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  H     11.16136907     14.13011060    -10.74628174
  H     11.24988227      4.63626000    -10.91050421
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  H     10.73613735      6.03312292    -10.48594846
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  H     15.65810405      7.87705357    -11.07794988
  H     13.81853094     13.24446715     -8.66893330
  O     13.16312106     12.55316632     -8.50310637
  H      8.59473922     14.05443107    -11.22722111
  H     13.58652693     11.73611977     -8.80733014
          69
 Energy    -248.43678581920597     
  O     16.95449403     11.56654144    -15.14828889
  H     16.09742586     11.98582343    -15.00955364
  H     15.98215069     12.85230878    -11.50317344
  O     15.50563588      6.89126880    -11.30594371
  H     17.25817107     11.27422258    -14.27839093
  H     14.63439636     10.09305912    -11.44131641
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  H     15.87183668      6.67425998    -12.17421641
  H     15.19315784      8.64408660    -11.73373245
  O     13.65319841     11.26702181    -10.43731940
  H     14.59269270      6.56804506    -11.29653889
  H     17.22486283     10.20576649    -16.17246464
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  H     17.78451607      9.56066277    -17.46476046
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  H     12.61261999      4.85675141    -12.36957377
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  H     14.21696493     11.10790689     -9.66533509
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  H     10.33559007      6.09779292    -15.39304264
  O     12.50430626      4.33261406    -13.17456509
  H     16.37694133     11.07109573     -9.25772264
  H     11.88241925      6.14467469    -15.42022210
  O     18.42482711      8.15221980    -14.23491268
  H     15.81495071      9.72769599     -8.71738703
  H     18.30326818     12.46249207    -10.36172838
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  H     13.99660853      4.07073814    -14.05090092
  H     17.70134237     11.39304105    -11.29959856
  O     12.82951703      6.27806042    -11.19751131
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  H     14.49887894      8.78213470    -15.32461635
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  H     15.79113531      8.51990884    -16.16031892
  O     17.50430239     11.97429758    -10.54513596
  H     16.33339306      7.31736213     -8.21540768
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  H     14.00378800     13.45249883    -14.83555175
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  H     18.08145584      9.57047522    -13.15594783
  O     17.67633121     10.32415962    -12.70476017
  H     14.48559921     12.54125290    -11.40205620
  H     16.76360616     10.06409294    -12.50392490
          69
 Energy    -248.43669706572041     
  O     -0.03524624     -0.78323281      5.81091472
  H      0.21954754     -0.73840519      6.72946496
  H     -2.14185506      2.86471610      0.11196385
  O      3.44368594      0.38550720     -1.32012536
  H     -0.62614196     -0.02479695      5.65204223
  H     -3.40930172     -1.68479918      4.36758463
  O     -2.18978218     -2.61743217      5.25505965
  H      3.43030982     -0.57905243     -1.29222328
  H     -4.25647866     -0.39376174      4.11923163
  O      0.79439581      0.74800544     -0.46103333
  H      2.51854488      0.64882909     -1.21477769
  H      0.14432437      2.11405862      2.58095583
  O      3.07940461     -2.40452198     -0.70298551
  H     -1.96214707     -3.32519571      4.64076191
  H     -1.21522822      2.79053075      2.17074777
  O      3.81297852     -1.51005125      1.77452090
  H     -1.38661693     -2.10958555      5.42256929
  H     -2.17656528      0.78615613     -1.03581793
  O     -4.46482701      2.07131712      2.08989611
  H      1.06941714      0.95350059      0.44230890
  H     -0.80245451      1.44877481     -0.93671277
  O     -3.73290743     -3.02813807      1.60893319
  H      0.59825299     -0.19928179     -0.48769601
  H     -2.52155636     -0.50941204      2.77849078
  O     -1.66788771      1.31629612      5.29617692
  H      3.33597367     -2.15954331      0.20422071
  H     -1.45222458      0.58469861      2.45203299
  O      4.36309242      1.22912553      1.09884941
  H      3.61849280     -3.15268115     -0.94623929
  H      0.16427617     -2.27377412      0.39826016
  O     -4.99908502     -0.05024785      0.30998211
  H      3.19105937     -1.44900983      2.51041702
  H      1.19443796     -2.23472986     -0.74606257
  O     -2.30755683      3.48715401      0.84267562
  H      4.13980687     -0.61242450      1.63557708
  H      1.12584407     -1.66036257      3.06796065
  O     -3.94033606     -1.20730722      3.70978982
  H     -3.79061191      2.61506779      1.66823725
  H      1.20628225     -0.93089850      4.42027200
  O     -0.77545465      2.25592614      2.84362662
  H     -4.69679236      1.37804465      1.45703561
  H     -4.48844883      1.68245174      3.76114825
  O     -1.74514061      1.64462498     -1.04953559
  H     -3.34447476     -2.53001048      0.88252720
  H     -5.19029083      1.78425969      5.13775568
  O     -1.75728858     -0.30056755      2.22464224
  H     -3.95610810     -2.38160699      2.29693130
  H      2.65381327      1.45227774      1.85734075
  O      0.28164361     -2.00836919     -0.52688844
  H     -1.32392644      1.78126325      4.52017374
  H      1.71029533      0.52517148      2.66556032
  O      1.67588724     -1.05327865      3.58609484
  H     -2.62777463      1.34290645      5.21240492
  H     -2.60490980     -4.05502943      2.51118353
  O     -4.46877256      1.36032476      4.68179746
  H      5.14846375      1.76681049      1.04993347
  H     -2.04655762     -5.40490587      3.02286279
  O      1.73509467      1.32871832      2.12532458
  H      4.12266368      0.99488506      0.18440861
  H     -0.71509412     -1.73584836      2.24736205
  O     -1.89807487     -4.46354828      3.04215699
  H     -5.56423795     -0.78596139      0.54322662
  H     -0.63357857     -3.27903533      2.45013904
  O     -0.13610236     -2.50959564      2.14899552
  H     -4.19814171     -0.45112172     -0.05375770
  H     -1.64049358     -1.52866189     -0.62541045
  O     -2.44915639     -1.12772361     -0.28681999
  H     -2.38214041      4.35469265      0.45453108
  H     -2.20774744     -0.73143374      0.56879175
          69
 Ord_Energy   -248.436401    
 O   -6.06375456      -4.72537374     -0.818891108    
 H   -5.33406973      -4.08543158     -0.908835411    
 H   -5.91764688      -5.40355206      -1.47334051    
 O   -8.67537403      0.428061187       1.18573105    
 H   -9.08440304     -0.396743029      0.890803516    
 H   -9.03983498      0.598587930       2.05937362    
 O   -8.18429852      -3.33823061       2.46961451    
 H   -7.41534090      -3.88195324       2.26876760    
 H   -7.84920645      -2.55538416       2.93263102    
 O   -6.67042494      -3.06764102       5.98357248    
 H   -6.36679602      -3.88226128       5.55792189    
 H   -7.55552673      -3.21974564       6.33651781    
 O   -5.73338079      -4.56221342       1.96229970    
 H   -5.27573681      -3.70726824       1.98396170    
 H   -5.85508490      -4.78686476       1.03173494    
 O   -7.55465889       2.14858818       4.69854593    
 H   -7.36243248       1.83103645       5.59164333    
 H   -8.38348961       1.72774911       4.44329834    
 O   -6.00001001       9.54174101E-02  0.864855170    
 H   -6.95485401      0.231030166      0.975251138    
 H   -5.85366106      -3.46431285E-02  -7.85822570E-02
 O   -10.3814621      -3.51175070       4.20040035    
 H   -10.0617294      -3.46473598       5.10858536    
 H   -9.60321617      -3.64164710       3.64066315    
 O   -5.78317595      -5.29561090       4.63408947    
 H   -5.73129034      -5.13579559       3.67892599    
 H   -5.33318090      -6.12261009       4.78750038    
 O   -9.34566021      -3.13757706       6.83748674    
 H   -9.40842152      -2.16520786       6.85869503    
 H   -9.75548744      -3.45909452       7.63608360    
 O   -9.61620617      0.254069477       3.95567155    
 H   -8.83481312     -0.324563593       3.97577786    
 H   -10.3498726     -0.264636219       3.60074759    
 O   -6.95229292      0.926758051       7.19954062    
 H   -6.69538689       1.38349092       7.99653721    
 H   -6.24019432      0.294301361       6.99938488    
 O   -4.16647053      -2.77318096     -0.859770596    
 H   -4.59574842      -2.01857638      -1.28444684    
 H   -4.07068634      -2.53457332       7.14170486E-02
 O   -9.40322113     -0.434698910       6.74079752    
 H   -8.58892822       2.70826500E-02   6.97949934    
 H   -9.64135838     -0.114387363       5.86300611    
 O   -11.5647297      -1.48518193       2.86763263    
 H   -11.2292795      -2.24782538       3.37449980    
 H   -12.5147095      -1.49604154       2.94771767    
 O   -5.84917927     -0.697056532      -1.82264948    
 H   -5.98603249     -0.225476593      -2.63943195    
 H   -6.61423397      -1.29070365      -1.70692205    
 O   -5.04787111     -0.924192607       6.60864544    
 H   -5.53045464      -1.75952566       6.52377605    
 H   -4.42081881     -0.905890226       5.87763500    
 O   -4.51869392      -2.07015276       1.88463521    
 H   -4.06950092      -1.73640275       2.66900659    
 H   -5.09441948      -1.35936582       1.56597352    
 O   -9.80933762      -2.10225368      0.647544086    
 H   -10.5785351      -1.90420020       1.19280064    
 H   -9.21594143      -2.60984445       1.22517836    
 O   -7.83706665      -2.48492479      -1.37034607    
 H   -7.41319275      -3.32026601      -1.14114451    
 H   -8.60241699      -2.38402033     -0.791262329    
 O   -5.46107388      0.924525440       3.42623615    
 H   -5.61214828      0.834979594       2.47460508    
 H   -6.14473629       1.49742138       3.80166316    
 O   -7.29124689      -1.23605835       3.98361683    
 H   -7.02090454      -1.80265558       4.71937227    
 H   -6.61159325     -0.566678226       3.85106874    
 O   -3.47155976     -0.713684857       4.19598055    
 H   -2.60952640     -0.304124117       4.19989634    
 H   -4.11087513      -1.84865296E-02   3.95254374    
          69
 Energy    -248.43638577863982     
  O     14.07772925     11.15256999    -10.79980742
  H     14.49959325     10.70018369    -10.06040868
  H     18.64687514      3.60601870    -14.08870200
  O     15.62092700      7.18554791    -15.32674597
  H     14.73334416     11.14281189    -11.50998261
  H     18.36837923      8.53940524    -10.02500756
  O     14.65104550      4.96257371    -11.54264986
  H     14.74949528      7.60822001    -15.28776335
  H     18.34414316      9.96034012    -10.65628268
  O     18.99114885      6.75533095    -10.20663172
  H     16.21281270      7.78329783    -15.79992332
  H     16.10702860      7.76302340    -13.68600443
  O     15.06766469     10.60999858    -15.34398060
  H     13.71296318      4.83494684    -11.72524260
  H     17.38591782      7.74684301    -12.82582009
  O     13.22321436      8.49419766    -14.97180316
  H     14.71920946      5.85200709    -11.16116441
  H     11.10085661     11.11681552    -11.90562830
  O     14.79543639      7.57472518    -10.75305075
  H     18.36865810      6.02131834    -10.35536625
  H     12.44387404     10.70299338    -11.27814694
  O     19.23179371      9.45286143    -14.31850030
  H     19.62901834      6.44527786     -9.56840211
  H     13.77406671      4.39372631    -14.83877575
  O     11.88666309      6.62718706    -16.44984453
  H     15.34358963     10.84949988    -14.44880268
  H     12.45434287      4.66942668    -14.09727614
  O     19.08334848      6.98253347    -13.00158784
  H     14.31871270     10.00622810    -15.24824738
  H     16.44331886      4.63851899    -10.99099515
  O     17.19486202      9.28194934    -16.35218169
  H     12.66856642      7.94326065    -15.54479662
  H     17.75358437      4.40988974    -11.76347798
  O     18.26011334      4.34373473    -13.62449609
  H     12.94817994      8.32795933    -14.06108719
  H     15.28647282      4.82871745    -13.28574728
  O     18.01429316      9.43067774     -9.92057186
  H     14.95884965      8.19276581    -10.03234094
  H     15.60770133      5.54823979    -14.64251761
  O     16.47055945      8.04889740    -12.83801564
  H     15.44799100      7.76484951    -11.44584216
  H     12.04372234      6.18684418    -12.37337261
  O     11.58519877     10.36143063    -11.58414116
  H     18.57400524      9.40641842    -15.02262529
  H     11.09985705      5.03766319    -11.95304876
  O     12.82665577      4.50574806    -14.97376632
  H     19.31818254      8.55692358    -13.96496504
  H     19.47926063     11.74670617    -12.13891236
  O     17.40395571      4.65936460    -10.89909430
  H     12.20281779      5.82600940    -15.99918726
  H     19.02283398     10.50905752    -12.94579485
  O     15.61431182      4.69190204    -14.18643260
  H     11.42849918      6.32905295    -17.23041339
  H     12.05193244      8.73280695    -12.07321043
  O     11.94142100      5.21939634    -12.36346884
  H     19.22880711      6.92752312    -12.04776407
  H     13.28011037      7.84547535    -11.74057606
  O     18.83869224     11.04069063    -12.15074542
  H     18.88129891      6.08801966    -13.30473140
  H     16.42866037      9.56506734     -9.23495697
  O     12.50056318      7.90712202    -12.30961139
  H     17.37407848      9.54230900    -17.25194960
  H     15.56115779      9.63808986     -7.95515053
  O     15.51233677      9.55551326     -8.90338331
  H     16.45169325      9.83288173    -16.04348745
  H     16.17581097      9.85299438    -12.76506656
  O     16.08498309     10.81694681    -12.73729133
  H     17.33233257      4.40062068    -13.91162164
  H     16.96917458     11.13983549    -12.52987933
          69
 Energy    -248.43638499057579     
  O     14.35431345     11.49084704    -11.23195141
  H     14.68401393     11.08954472    -10.41981015
  H     17.10610858      4.15684189    -13.35450176
  O     15.76716368      6.90605255    -15.18110443
  H     15.04733119     11.33966231    -11.88856292
  H     18.31068211      8.60171447     -9.87589460
  O     14.35588799      5.23013773    -11.25663495
  H     16.44272226      7.38882270    -15.67312361
  H     18.46533602      9.93701334    -10.65768913
  O     18.76358091      6.75907477     -9.81829390
  H     14.94108522      7.40845002    -15.25008730
  H     17.42514151      7.58650667    -12.63688577
  O     15.55762242     10.34211838    -15.60870297
  H     13.42248478      5.16886420    -11.49036818
  H     16.20832344      7.62100368    -13.58235505
  O     13.49375153      8.46090204    -15.14110953
  H     14.48864208      6.14746140    -10.96999326
  H     11.46030130     11.60138798    -12.53522056
  O     14.71026390      7.89134694    -10.74672562
  H     18.08162233      6.07294775     -9.93038243
  H     12.71579628     11.14087024    -11.77342138
  O     19.51743389      8.93354518    -14.17100999
  H     19.32798246      6.46718458     -9.10653405
  H     12.29877056      4.84830582    -13.91374211
  O     12.07036377      6.56703766    -16.49900949
  H     15.80146342     10.65646321    -14.72747570
  H     13.62697649      4.36965786    -14.52552311
  O     19.04602725      6.65475423    -12.60777711
  H     14.74818297      9.82449434    -15.50143416
  H     16.07074282      4.80861453    -10.54736338
  O     17.59978188      8.71792357    -16.31351030
  H     13.14924946      8.42611543    -14.23956018
  H     17.39608515      4.37371623    -11.19554232
  O     18.00471026      4.04849742    -12.99781859
  H     12.92282138      7.90103707    -15.68890046
  H     15.55073530      5.36620036    -14.32603830
  O     18.04093706      9.52775422     -9.89414423
  H     14.89031178      8.57042673    -10.08753370
  H     15.07872902      4.83955397    -12.92546993
  O     16.54659859      7.96777226    -12.74671874
  H     15.41895257      7.94018103    -11.40802376
  H     11.93731531      6.58463874    -12.39804101
  O     11.84753147     10.84654444    -12.10070155
  H     18.90188409      8.86710510    -14.91082050
  H     10.86072520      5.58264207    -11.92360068
  O     12.70515838      4.55176701    -14.73870709
  H     19.49322223      8.07998094    -13.71715042
  H     19.85903213     11.42986389    -12.24093880
  O     17.02142942      4.75171007    -10.39031693
  H     11.63137492      6.22474006    -17.27244997
  H     19.33171881     10.15492423    -12.93923647
  O     15.44505530      4.57085682    -13.78047541
  H     12.27797501      5.79725965    -15.94289072
  H     12.17934399      9.13669474    -12.37594068
  O     11.73934581      5.63818513    -12.29053663
  H     19.12759595      6.69642277    -11.64571098
  H     13.29141614      8.18466972    -11.86278297
  O     19.15355963     10.78888020    -12.22159919
  H     18.77505233      5.75367145    -12.82572092
  H     16.43799151      9.88465939     -9.34139546
  O     12.55746956      8.25173753    -12.48897045
  H     16.89755436      9.36637630    -16.11984550
  H     15.50646424     10.18318651     -8.14183337
  O     15.50691857      9.99722322     -9.07658714
  H     17.85775390      8.85586684    -17.22120644
  H     17.32928266     11.01485088    -12.74090495
  O     16.43156891     10.75270243    -12.97427063
  H     18.34394274      3.23027260    -13.35100671
  H     16.42802490      9.78768560    -12.89086905
          69
 Energy    -248.43619453005545     
  O     13.37500297     10.24835149     -9.96899469
  H     12.75760491     10.52927153     -9.29968718
  H     16.79752417     10.18256408    -15.37976432
  O     15.30305860      4.65300692    -12.48147397
  H     13.55390084      9.30191659     -9.81272287
  H     14.97703759      8.94925767    -12.74656105
  O     15.82041866     12.34085404    -13.08234584
  H     16.22088268      4.79415741    -12.22489729
  H     16.04139423      8.01070073    -12.13838274
  O     18.04457942     11.36701066    -14.68637584
  H     15.21422195      4.95836577    -13.39441466
  H     13.55313741      6.88453231    -10.15259881
  O     11.52837256      7.57736907    -15.99073509
  H     15.06427320     12.16648154    -13.65509750
  H     14.92251791      7.52103975     -9.86255013
  O     16.63318761      7.40567470    -10.46163535
  H     16.59879085     12.17006689    -13.62471760
  H     18.40281788      5.78756103    -12.29938185
  O     12.59728123      7.04127480    -13.47049440
  H     18.33143733     10.77919549    -13.96529522
  H     18.60131143      4.57367131    -11.35906233
  O     13.86133662     11.19826069    -14.83767713
  H     18.82736655     11.78619088    -15.03356352
  H     12.55997035      4.63065053    -10.92359474
  O     14.39599576      8.83441555    -17.66394213
  H     11.76271228      7.34751820    -15.08066506
  H     13.86846466      5.08780410    -11.61051935
  O     14.71778325      5.89270449    -14.94529894
  H     12.07652754      7.01477286    -16.55101709
  H     17.50907965      9.26271838    -12.79093182
  O     17.27393369      6.85971122    -15.61847019
  H     17.22853507      8.11939880    -10.19978469
  H     18.53977348      9.70875649    -11.74116533
  O     16.09790387      9.52833443    -15.50874156
  H     17.16119350      6.64098697    -10.72458054
  H     18.48189407      6.80714200    -14.27741967
  O     15.84181208      8.55218926    -12.91226110
  H     12.76709611      7.94148634    -13.15633454
  H     19.01485793      7.79978577    -13.22227015
  O     13.97271635      7.63438710     -9.71530077
  H     12.60519636      6.46708682    -12.69590977
  H     17.34300774     10.34504004    -10.08952059
  O     17.97578202      5.24778107    -11.60901043
  H     14.62484699     10.67641088    -15.11890754
  H     18.55491609     10.10268776     -9.15308995
  O     13.03502044      5.40397502    -11.21560059
  H     13.15405592     10.97739566    -15.45819059
  H     13.93001489      7.13933303    -17.63023308
  O     18.42477480      9.56783776    -12.68864804
  H     13.61602730      9.36755363    -17.46607642
  H     13.66249318      5.78624778    -18.33125447
  O     19.02348496      6.87035595    -13.47575423
  H     15.05247521      9.07060439    -16.99627669
  H     15.09173821     11.00050754    -10.26333070
  O     18.10931713      9.76211849     -9.92296505
  H     14.05466968      6.36502719    -14.42276484
  H     15.92031840     11.69867192    -11.37305360
  O     13.57958172      6.24016944    -17.49721091
  H     14.36083553      5.84586045    -15.84087504
  H     11.29251842     10.50138619    -17.17030790
  O     15.98220879     11.28095877    -10.50206666
  H     17.06095880      7.76077121    -15.87677852
  H     11.78026271      9.25277513    -16.39836418
  O     12.03180524     10.15081358    -16.68098369
  H     16.42822082      6.47268526    -15.34985610
  H     13.35090533     10.27729118    -13.32516974
  O     13.25544746      9.57813123    -12.66598266
  H     15.99658248      9.04574623    -14.67286432
  H     13.20114997      9.96546030    -11.78383995
          69
 Energy    -248.43611145811835     
  O     10.85380061      9.04327771    -11.06919534
  H     10.44667027      8.82793097    -11.91876882
  H     18.40477644      6.95685272    -15.87136355
  O     14.33876882      7.49034058    -15.50660621
  H     10.98930854      8.19615738    -10.62732904
  H     16.40581418      7.76081607    -12.75218651
  O     17.60338453      9.84936383    -10.43026430
  H     15.00788547      7.67041156    -14.82776652
  H     16.99094839      7.23424417    -14.07587145
  O     16.87361249     10.49684989    -14.49384260
  H     14.78641053      7.60839114    -16.35290202
  H     12.55717819      6.61529006    -10.49096241
  O     12.35724771      9.28959777    -14.80563098
  H     17.77505476     10.38552296     -9.66134500
  H     11.75242553      5.97606433     -9.33686996
  O     13.65694715      5.49923937    -13.70681625
  H     16.93000131     10.31916414    -10.95666750
  H     18.22420501      6.42889169    -11.44530390
  O     15.74428183     10.99424546    -11.97249702
  H     16.65964697      9.58867033    -14.23051075
  H     19.46602500      5.53754441    -11.20449814
  O     15.39581097     10.74516430    -16.86574138
  H     17.81938516     10.48348246    -14.68263490
  H     10.64231952      6.52690448    -13.23084363
  O     15.99014954      4.05268143    -14.09328931
  H     12.43832285     10.09121739    -15.34297546
  H     11.10618482      5.83742604    -11.93770420
  O     19.57860743      9.81509792    -14.88303845
  H     13.00511012      8.65160119    -15.13372870
  H     18.97978582      9.32188650    -11.67443122
  O     15.99172292      8.05939531    -17.70573716
  H     13.78486473      6.11436268    -14.44277485
  H     19.56248660      7.97940266    -12.15545724
  O     18.38121754      7.72316788    -16.46071763
  H     12.70933911      5.46782022    -13.50778915
  H     17.39325725      5.13414768    -14.37905282
  O     16.37413899      7.88118449    -13.70638304
  H     16.09004232     11.01256946    -12.87480070
  H     18.55369451      5.82296750    -13.60648261
  O     11.65871957      6.43245415    -10.16899401
  H     14.86145103     10.60357198    -12.01792718
  H     16.96424453      8.14058125    -10.61459666
  O     19.07425201      6.14545136    -11.82615446
  H     15.58516773      9.88918584    -17.26586495
  H     15.78946081      7.13464619    -10.90464177
  O     11.05009785      5.71882941    -12.89359980
  H     15.90671483     10.76593621    -16.04503799
  H     13.74244027     11.26155855    -16.60069344
  O     19.59164628      8.93093169    -12.30998264
  H     15.14511506      4.49540599    -13.91718392
  H     12.73860060     12.41678906    -16.43680331
  O     18.08827492      5.80611863    -14.45195147
  H     15.76706544      3.16228927    -14.35394354
  H     13.83687549      7.96750970    -11.68807398
  O     16.74984836      7.24652196    -10.91627072
  H     20.39170578     10.28037573    -15.06047848
  H     13.98713569      6.49597145    -12.18697929
  O     12.82194486     11.47037580    -16.36246840
  H     19.63148885      9.49951152    -13.96333697
  H     12.47802711      9.58491230    -11.69045320
  O     14.05566003      7.06589769    -11.40785172
  H     16.06912639      7.75559821    -18.60608613
  H     13.04621658      9.59444903    -13.12846562
  O     13.30285241      9.62218490    -12.19685859
  H     16.86845294      7.94574935    -17.29682046
  H      9.31531402      8.50176915    -14.25038201
  O     10.07186053      8.26367444    -13.72077086
  H     18.82821948      8.43820943    -15.99247510
  H     10.85157371      8.64390944    -14.16118597
          69
 Energy    -248.43590419413360     
  O     17.30211082     11.20179667     -8.42559566
  H     17.03828266     12.03640742     -8.04751053
  H     17.59535594      9.73396420     -7.19693854
  O     19.14532569      5.86279838     -9.03423112
  H     18.08508700     11.37877261     -8.97788943
  H     16.50776440     10.08308976     -9.63305132
  O     19.38369739      4.18830677    -12.43264444
  H     18.62963761      5.16614153     -9.46129670
  H     15.69118387      8.78788570     -9.97193611
  O     18.95747937      6.88559221    -13.21434710
  H     18.97449613      6.66942855     -9.55048849
  H     20.10953419     10.87516009     -9.82931255
  O     22.68664181      7.83408654    -11.42242482
  H     18.71162792      4.05373111    -11.74350326
  H     19.35194201     11.49314431    -11.01457797
  O     17.42904622      4.16259082    -10.50084720
  H     19.48880298      3.35221720    -12.88003573
  H     15.89565769      7.54298271    -14.85871036
  O     20.84640606      8.94877125    -13.30251981
  H     19.08626162      5.94347882    -13.05242912
  H     16.46535818      8.40852912    -13.70643566
  O     20.27330781      7.95353081     -7.26540824
  H     18.08768190      7.00638655    -13.61608166
  H     20.85569120      5.01378773    -11.44785831
  O     15.78437740      3.99938217     -8.29431113
  H     23.62790075      7.68218079    -11.41571683
  H     20.78045460      5.61320358    -10.04642017
  O     20.96993068      9.24304373     -9.67162750
  H     22.26410824      6.98102750    -11.21933405
  H     14.29982068      4.72860880    -11.83640705
  O     18.66475440      8.01692633    -10.63920587
  H     16.87853330      4.77351258    -11.01287223
  H     13.74982580      3.30903087    -12.06301251
  O     17.72000336      8.94031628     -6.66628820
  H     16.89424622      3.91575468     -9.73217344
  H     14.23672250      6.59563146     -9.27733857
  O     16.27183343      9.46685819    -10.33924168
  H     21.55470716      8.63523925    -12.72798214
  H     15.63924952      6.98148958     -8.75521821
  O     19.43523087     11.53102246    -10.05435699
  H     20.24468656      8.19947116    -13.40874059
  H     15.48370399      6.44270026    -11.03924489
  O     16.34532485      7.49212746    -14.02015604
  H     20.06989715      7.09427029     -7.64772526
  H     15.86572164      6.47028408    -12.56125728
  O     21.36527752      5.52417737    -10.80880925
  H     20.64108980      8.47336143     -7.99348042
  H     19.90652299     10.39579003    -13.03550060
  O     13.54072360      4.14934154    -11.66185995
  H     16.10945994      4.76775816     -7.80529254
  H     19.62026931     11.84528205    -13.48593615
  O     14.98258223      7.18498159     -9.43944611
  H     14.86371338      4.20392155     -8.49385089
  H     17.02348148      7.37025118     -7.08640077
  O     15.69606622      5.89308024    -11.80774972
  H     21.68846245      8.87447424    -10.19732890
  H     17.66791678      6.25207056     -7.92339937
  O     19.32128482     11.16064621    -12.89250462
  H     20.15368211      8.87267775    -10.04375997
  H     13.18452814      4.66440627     -9.99872877
  O     16.83855727      6.51609300     -7.50734857
  H     18.74544198      7.69673159    -11.54625252
  H     12.30088122      4.88191648     -8.74719986
  O     13.17721161      5.02393831     -9.09542283
  H     17.85519485      8.53669078    -10.56578047
  H     17.61006132     10.39377065    -13.02113596
  O     16.76497817      9.92851943    -13.01465733
  H     18.65179882      8.69175261     -6.76225764
  H     16.48847183      9.87989540    -12.08806109
          69
 Energy    -248.43584791551746     
  O     16.53797471      5.97692786    -10.40784720
  H     15.57322758      5.97480362    -10.50642529
  H     14.94397126     11.18547623    -12.78456946
  O     11.26163142      8.67120699    -10.52296623
  H     16.91641648      6.03858307    -11.29425830
  H     12.77138347     10.37125120    -13.14317327
  O     11.81579475      4.26288816    -14.12376435
  H     10.76713697      7.87559755    -10.75186089
  H     11.66685576      9.47504332    -13.80691435
  O     13.54166809      8.10362865    -16.29016208
  H     11.47941076      9.11107794    -11.35660891
  H     14.72060378      5.17307056    -14.50805735
  O      9.92612951      6.22413448    -11.22465832
  H     12.55429087      4.81393688    -14.42727130
  H     13.98746582      6.46315553    -14.06513541
  O     16.05993637      3.18545108    -11.15977734
  H     11.84239917      4.27581268    -13.15654368
  H     14.91711370      8.11947582    -12.99922305
  O     13.29791196      8.29674570     -8.80746958
  H     13.72599821      7.22184864    -15.94037206
  H     13.38410894      8.39980966    -12.86684546
  O     15.99800896      4.09158544    -13.76216456
  H     12.63105498      8.30852812    -16.04421652
  H     16.27922338      7.84160965     -9.88945778
  O     15.41100623      9.95986619    -15.74425481
  H     10.57096524      5.49812251    -11.18991626
  H     15.06117250      8.66235890     -9.40688835
  O     13.41999638      1.96837226    -11.13984184
  H      9.13269641      5.90350540    -10.80164710
  H     13.04941927      2.76708653    -14.11183073
  O     10.93062975      8.72050824    -15.34074189
  H     15.18900191      2.85368439    -10.91351916
  H     14.58716315      2.72777167    -13.99824270
  O     14.26525504     11.29111833    -13.46215944
  H     16.22672404      3.98441285    -10.64779068
  H     13.57342431      6.78960790     -9.85245959
  O     12.10859339      9.68429708    -12.97478567
  H     12.99498573      8.41753444     -7.91189654
  H     13.85356387      6.73351276    -11.37623902
  O     14.02506656      5.79306135    -14.76437914
  H     12.54792695      8.51497119     -9.39116614
  H     10.57868674      5.67161183    -14.24395347
  O     14.06456952      7.71692952    -12.79820378
  H     16.01180583      3.69599289    -12.87614367
  H      9.93776106      6.50262017    -13.12284196
  O     15.94693050      8.74101519     -9.78280372
  H     16.65062950      4.80027793    -13.71297845
  H     12.60672414      4.96329594    -11.01060701
  O     13.78880894      2.21220356    -13.83139260
  H     14.73275514      9.30107559    -15.98127857
  H     12.30819896      3.45188507    -11.13103643
  O     13.77653252      6.18598413    -10.57793215
  H     15.71755483     10.34431730    -16.56072553
  H     16.22253500     10.01422887    -10.90854306
  O     10.10243631      6.49465465    -14.07256438
  H     13.56733149      1.95604450    -12.10319869
  H     16.95895337     11.33962148    -11.21211637
  O     11.92510430      4.32550062    -11.27608711
  H     13.32703077      1.05953527    -10.86673982
  H     17.35023010      7.14723671    -13.29134003
  O     16.39855643     10.67485550    -11.60327446
  H     10.59908645      7.90859944    -14.91520666
  H     18.63174349      6.29779278    -13.13337124
  O     17.68091029      6.26503333    -13.05528118
  H     10.21712315      9.06236681    -15.87284989
  H     16.67157565      9.43368007    -12.90607415
  O     16.61254401      8.72865069    -13.56554253
  H     14.64905530     10.95748074    -14.28289256
  H     16.30212986      9.12811615    -14.38944629
          69
 Energy    -248.43553154205077     
  O     10.62510890     11.55816208    -10.33996111
  H      9.78360832     11.98647014    -10.20374587
  H     16.06945557     12.29038986    -14.07791727
  O     14.59182989      9.65448230    -15.22520224
  H     10.90941593     11.77791889    -11.24495361
  H     16.80337469      9.66641988     -9.95355329
  O     10.71230865      8.75773431    -11.11219109
  H     14.76916784     10.26360371    -15.95189073
  H     15.72912460      8.58014065    -10.19009627
  O     13.75524795      7.20476786    -13.96187432
  H     15.20128104      9.90532675    -14.51693362
  H     14.33032542      7.58084134    -12.28125031
  O     13.16652238     11.76503836     -9.14670548
  H     11.30242881      8.34855135    -10.46116781
  H     14.19108560      8.92314352    -11.53237935
  O     15.06716843     11.88129659    -16.94056776
  H     10.58664319      9.66395019    -10.81713704
  H     14.25110241     15.00857849    -11.30659882
  O     10.95699946      7.84687743    -13.64458598
  H     12.80064285      7.33273060    -13.89207983
  H     13.77580282     15.02543691    -12.78689180
  O     12.60790019      7.76403831     -9.37895711
  H     14.07934330      7.90927825    -14.53635335
  H     17.63735638     11.73049336    -10.86053730
  O     13.88155212     10.75211512    -11.66654054
  H     13.43286279     11.03367472     -8.57260221
  H     18.87103642     10.79455195    -10.87096610
  O     17.03415750     13.35742822    -10.76483386
  H     12.24336076     11.64528938     -9.40678238
  H     12.78502617     13.56723094    -14.94901136
  O     11.65262320     11.97478843    -12.82713244
  H     15.43274107     12.38357774    -16.19275581
  H     14.14483439     13.57458543    -14.23191984
  O     15.91799114     13.08822814    -14.60735425
  H     15.63278983     12.05186664    -17.68953826
  H     14.00903334     13.28392905     -9.43981789
  O     16.16985418      9.09893349     -9.50122928
  H     10.26695130      7.20581356    -13.79236431
  H     14.47489320     14.63195797     -8.85330082
  O     14.48959451      8.00830534    -11.42951552
  H     10.85764361      8.15684183    -12.72619927
  H     16.88090183     10.65055949    -12.55159198
  O     14.32928952     15.48623896    -12.14174312
  H     13.27107824      7.65955209    -10.07708218
  H     15.34898390     10.80429263    -12.61398767
  O     17.92486638     10.80830330    -10.98832862
  H     13.02974609      8.31350776     -8.71082599
  H     13.17990390     12.34373464    -16.75706994
  O     13.22082852     13.83796784    -14.12717204
  H     13.11459775     11.09444226    -12.14086820
  H     11.97281449     11.73620297    -16.02484348
  O     14.50258299     14.09517461     -9.64253407
  H     13.78901099     11.05724860    -10.75658655
  H     14.43347732      9.35842068     -6.86362306
  O     16.14661720     10.75946941    -13.16555971
  H     16.20151369     13.57385844    -10.32847690
  H     14.94986224      9.42408083     -8.32154315
  O     12.31100311     12.56116205    -16.39708227
  H     17.10643098     13.96561676    -11.50988218
  H     15.97504685     15.38929910    -12.68977242
  O     14.18000707      9.60215169     -7.74959259
  H     11.57924106     11.33084893    -13.54656145
  H     17.33094965     15.99389441    -13.13194159
  O     16.87852601     15.16826968    -12.98295871
  H     12.15115156     12.72443318    -13.18002448
  H     12.78923552      9.98260880    -14.98356479
  O     11.84458970     10.17143066    -14.88944510
  H     16.35770277     13.81846633    -14.15618990
  H     11.43462715      9.36004085    -14.56258877
          69
 Energy    -248.43519059798342     
  O     20.33449723      8.20022008    -11.49360071
  H     19.56126800      8.43127679    -10.96430879
  H     17.71728613     12.20095521    -14.89260888
  O     17.71116896     11.22343855    -11.58313246
  H     20.14931551      7.33506365    -11.88024350
  H     16.15493393     10.75093066    -12.34712000
  O     13.37600237      6.69463468    -13.09932425
  H     18.17458514     11.14754857    -12.42900925
  H     14.87958984     11.19388717    -13.12753807
  O     17.08997076      6.49017705    -12.03057411
  H     17.80280634     10.37928342    -11.11870494
  H     12.73775221     10.04894625    -14.49897859
  O     14.75700540      6.00497763    -10.64783249
  H     12.77973647      7.44835316    -13.00427762
  H     13.19013696     11.51091508    -14.60027583
  O     19.61207699      5.87356528    -13.03491589
  H     13.66720553      6.45179924    -12.21155441
  H     14.96794308      7.64606631     -9.66356530
  O     13.74065234     12.76813004    -13.37705867
  H     17.92401730      6.15330740    -12.37818280
  H     14.51265321      9.10970888     -9.67357132
  O     17.40452801      9.00236173    -15.67472199
  H     16.65111952      6.98124544    -12.74279161
  H     20.93865758      9.15859099    -12.82339541
  O     17.73620175      8.70336884    -10.41839345
  H     15.61767749      6.07077284    -11.09585267
  H     22.11602317      9.84982472    -13.55400158
  O     15.40913036     10.78528256    -16.64124257
  H     14.73393637      5.14773613    -10.22895357
  H     16.34413152     13.94222408    -14.26108612
  O     19.79311328      7.58204883    -15.12960107
  H     19.66326191      6.42058424    -13.83956771
  H     16.03064734     15.43362614    -13.98983226
  O     17.00345962     12.73298088    -15.26867376
  H     20.09947275      5.07409446    -13.21326410
  H     16.17157601     13.93525601    -11.86120679
  O     15.34089337     10.43201017    -12.75879029
  H     14.39911147     13.45437780    -13.54803448
  H     16.78650705     12.74941604    -11.08698995
  O     13.13498570     10.68477137    -15.10295464
  H     13.50125125     12.85337381    -12.44606606
  H     13.19000941     13.61082971     -9.92896682
  O     15.19484710      8.52232215     -9.32742501
  H     16.80981391      9.58126660    -16.16566565
  H     14.50046799     13.14537119    -10.60642968
  O     21.19917998      9.60746118    -13.64819225
  H     16.82571069      8.49769920    -15.08196713
  H     18.30783223     10.21076675    -14.62475198
  O     15.89014966     14.55371046    -13.65209927
  H     16.93933426      8.75372113     -9.87089247
  H     19.68393542     10.57867876    -14.00926864
  O     16.15748162     13.47978492    -11.01008079
  H     17.57512145      7.95185754    -11.00523884
  H     10.96808786      9.22585760    -12.78049304
  O     13.54539468     12.96286864    -10.53073056
  H     14.60361296     10.67343392    -16.10777591
  H     12.33338354      9.49954625    -12.11414727
  O     18.78012148     10.89520339    -14.12893386
  H     15.11842236     10.89359740    -17.54374181
  H     14.14794121     10.15149700    -11.45532826
  O     11.90958094      9.12992510    -12.90576870
  H     19.00082391      8.01454755    -15.47406018
  H     13.33822721     11.10342730    -10.55920046
  O     13.40987633     10.17800410    -10.82484430
  H     20.35724284      8.28369580    -14.78115133
  H     15.53592916      8.82488106    -13.49808794
  O     15.67982660      7.94071250    -13.86818451
  H     16.45124482     12.12750072    -15.77738396
  H     14.85458260      7.44725378    -13.76022866
          69
 Energy    -248.43514951361846     
  O     17.66680377     10.91887872    -17.23485238
  H     16.84794210     11.37816737    -17.02219938
  H     17.81666230      5.82542505    -12.99922037
  O     15.21425984      5.81456323    -14.71125468
  H     18.40502670     11.41273685    -16.84477853
  H     22.45259621      9.73059809    -15.60649442
  O     19.90098717      8.56721626    -14.02379775
  H     15.82734807      5.88287445    -15.45810625
  H     21.03701355      9.31563891    -15.13974316
  O     15.87549869      7.65385339    -19.02683463
  H     15.75618045      5.81555143    -13.91459624
  H     17.41330214      7.90679506    -15.98473722
  O     15.88485339     11.37705336    -10.90095733
  H     19.71504700      8.92344130    -13.14465300
  H     17.63962051      9.44759901    -16.16261381
  O     15.37239778      9.21330859    -13.99157732
  H     19.08225158      8.62779019    -14.54272986
  H     15.27085113     12.03729554    -15.41103297
  O     18.42723876     11.95880032    -13.42111883
  H     15.34787149      8.27233047    -18.49031135
  H     14.69502931     12.71105313    -16.67273631
  O     19.24268008      5.84584678    -14.01016574
  H     15.33937461      7.41762315    -19.77897708
  H     16.68980110      7.58300028    -11.71251823
  O     13.38977438      7.71120589    -15.23851451
  H     15.99134330     10.41917161    -10.89813620
  H     16.04182334      8.79224883    -12.38878013
  O     19.57826449      5.42508704    -16.82996522
  H     16.73817254     11.73780719    -10.63094930
  H     13.98786630      8.76158788    -16.69653485
  O     16.94783283      6.33103181    -16.81058423
  H     14.61405885      8.73544711    -14.34450628
  H     14.60855931     10.13876878    -17.03657577
  O     17.01455028      5.85167467    -12.44762870
  H     16.14071832      9.00077347    -14.54386089
  H     19.06339032     13.11157353    -10.30613181
  O     21.52943954      9.77195766    -15.84416435
  H     18.61258265     11.08451875    -13.05318711
  H     18.59108527     12.47215147    -11.62989923
  O     17.58831327      8.73205669    -15.51396713
  H     17.47536209     11.98933190    -13.58905823
  H     18.13817917      9.28569684    -11.61082095
  O     15.15445946     11.93125858    -16.36863554
  H     19.36676135      5.57871640    -14.92804510
  H     19.01136076     10.47158641    -11.11004731
  O     16.51935388      8.52536432    -11.58879544
  H     19.62233663      6.73266147    -13.94782939
  H     20.86701656      8.50985290    -17.17032015
  O     14.40992867      9.26993468    -17.40093262
  H     13.98047933      6.95598538    -15.05793127
  H     19.78612122      8.22802861    -18.24674428
  O     18.59303688     12.36328051    -10.66466177
  H     12.50675827      7.43443476    -15.01124710
  H     15.46674979     10.92669414    -13.81403184
  O     18.99375279      9.72871481    -11.72205616
  H     20.05973357      4.73841571    -17.28227875
  H     15.57471250     11.93015943    -12.66809736
  O     20.45105967      7.80786212    -17.67980159
  H     19.94954026      6.27537360    -17.13283476
  H     19.41633757     12.08946137    -15.02304823
  O     15.61389332     11.87028143    -13.63223578
  H     16.62538121      6.66657363    -17.65699109
  H     20.44814239     11.34825360    -15.91398096
  O     19.77082567     12.03634089    -15.92045940
  H     17.81949323      5.93478892    -16.93826163
  H     18.17772886      9.77258488    -18.57210421
  O     18.40925259      8.99646582    -19.10193080
  H     17.03917841      5.06868443    -11.90245789
  H     17.58166793      8.51688090    -19.21794935
          69
 Energy    -248.43514031706488     
  O     -9.05210738     -2.28891628     -8.51165071
  H     -8.54815549     -3.09336030     -8.68017410
  H    -10.01421381     -4.63919349     -1.96437602
  O     -5.50119397     -4.32598614     -1.80933447
  H     -8.42105184     -1.67010446     -8.12183274
  H     -8.43985343     -2.34435877     -3.86995617
  O     -8.98538902     -4.99656582     -0.50378486
  H     -6.19431595     -3.73539069     -1.48237138
  H     -9.48630753     -1.23754831     -3.50428010
  O    -10.91557958     -2.00711373     -6.43956419
  H     -5.81795097     -5.22175795     -1.63798799
  H     -4.84039200     -3.06592499     -7.45382864
  O     -8.29852388     -6.24812094     -3.70844015
  H     -8.31357635     -5.66847764     -0.67005416
  H     -5.06596586     -4.19387112     -6.44318657
  O     -6.70660981     -0.01376248     -3.23066705
  H     -8.49881730     -4.16958898     -0.38922625
  H     -6.61450117     -4.44329932     -8.24232067
  O     -4.39081841     -1.23733754     -4.39957280
  H    -11.15013464     -2.88959172     -6.13510271
  H     -7.22121797     -5.16493963     -9.46701713
  O     -8.76526310     -5.35876488     -6.31083294
  H    -10.35606546     -2.12502384     -7.21988707
  H     -7.85678511      2.30878698     -5.28372136
  O    -10.34690816     -0.13629018     -4.51967173
  H     -8.30253150     -6.13396398     -4.66586252
  H     -7.46185565      1.02438476     -4.51878200
  O     -7.24041923     -0.84918576     -6.87797726
  H     -8.96314143     -5.62639054     -3.38605301
  H     -6.97029899     -1.81263576     -0.57688168
  O     -4.56518220     -1.14613685     -7.22657351
  H     -6.36240798      0.04466085     -2.32993946
  H     -8.04221722     -2.32429250     -1.57039210
  O    -10.27452985     -4.34107704     -2.84931463
  H     -7.44052122     -0.64182255     -3.19394481
  H     -5.23750087     -4.21669352     -3.62615363
  O     -8.85751945     -1.87473659     -3.12909659
  H     -5.18794870     -0.77825720     -4.10247461
  H     -4.75689710     -3.03054955     -4.49432557
  O     -5.14675875     -3.97721299     -7.38106861
  H     -4.32156059     -1.10489427     -5.35338675
  H    -11.07257808     -4.59805416     -4.46738426
  O     -7.45150828     -4.67234868     -8.68364512
  H     -9.71277717     -5.18300742     -6.24798827
  H    -12.21375121     -5.07833457     -5.38791369
  O     -7.94903175      1.35924153     -5.28954806
  H     -8.46581492     -5.21898557     -7.21739106
  H     -7.33726463     -6.64815754     -2.33669176
  O     -7.48823074     -2.58797969     -0.82114654
  H     -9.72374818      0.49643188     -4.88882816
  H     -6.72461327     -7.67071346     -1.34748174
  O     -5.11849158     -3.92736925     -4.54043608
  H    -10.61121965     -0.72805124     -5.24423756
  H     -3.81174621     -1.74153831     -2.62712930
  O    -11.35185085     -4.66862343     -5.39503781
  H     -7.44060270     -1.60719682     -6.30672357
  H     -4.23500528     -2.89494953     -1.68809137
  O     -6.87021696     -6.73904594     -1.48482935
  H     -7.54817602     -0.05262637     -6.42919980
  H     -6.76491471     -3.38036894     -4.96280904
  O     -3.86009977     -2.00387940     -1.69889294
  H     -5.52502780     -0.98531656     -7.19118470
  H     -8.10167443     -3.79659253     -5.62394054
  O     -7.63798147     -3.05323222     -5.21924530
  H     -4.21556469     -0.59558846     -7.92239996
  H     -5.39412280      0.15340875      0.11640569
  O     -5.71303770     -0.35264045     -0.62554319
  H     -9.92964247     -3.44363802     -2.93065051
  H     -4.97490124     -0.91396490     -0.92664813
          69
 Energy    -248.43502970255912     
  O     16.89345718      9.28299311    -15.90726116
  H     16.94616380     10.22896056    -16.08965516
  H     14.36178333     12.32068611    -10.43327382
  O     17.23627415     12.08129668    -15.87978738
  H     16.00573962      8.96033013    -16.12139276
  H     15.67637472      4.36742444    -13.77335854
  O     12.57866513      9.85993773    -11.31186866
  H     17.59720518     12.71785419    -16.49102509
  H     16.55885803      3.34934553    -13.01069558
  O     14.40501539      8.14459835    -16.17692495
  H     17.90611541     11.94489604    -15.18463384
  H     15.17998589      8.49757948    -10.73115429
  O     18.60756086      7.51593063    -14.76286702
  H     13.29741127      9.22100689    -11.26345757
  H     15.20200035      8.73007175    -12.26182028
  O     20.58618621      9.16208418    -13.85786663
  H     12.86767885     10.61613037    -10.78623707
  H     18.05192902      5.94452733    -15.65431088
  O     17.31167440      6.74317750    -12.39656231
  H     14.07681291      7.86704541    -15.30996697
  H     17.32113152      4.71374921    -15.09973243
  O     11.35813291      9.29855415    -13.63867033
  H     14.61012481      7.33071742    -16.65513894
  H     15.15501998      5.19595735    -18.02808115
  O     15.51221453     12.87981424    -11.61174282
  H     18.14368799      7.27752725    -13.94684346
  H     16.06266250      5.48115748    -16.80805349
  O     13.07141418     10.60634079    -15.51252092
  H     18.04210607      8.13657387    -15.24899276
  H     16.31824274      9.57337110    -14.16499484
  O     14.87636919     12.27127612    -14.29659047
  H     21.46122252      8.90826995    -14.13960032
  H     15.39114709     10.67054840    -13.59684673
  O     13.77855416     11.89002596     -9.78268909
  H     19.96584343      8.52816991    -14.25726250
  H     18.62381597     11.50007151    -13.00987238
  O     16.56130004      4.22324943    -13.39197964
  H     17.10459297      5.83126295    -12.64153879
  H     19.62450826     10.80177922    -13.94223804
  O     14.91834125      8.09969522    -11.57570389
  H     16.49535419      7.12419128    -12.05205392
  H     16.99402181     10.52283858    -12.11483382
  O     17.54417794      5.16785380    -15.92172989
  H     10.40852952      9.29179266    -13.55517523
  H     18.24787990     10.18312394    -11.28118309
  O     15.17786046      5.63816794    -17.18371641
  H     11.71677682      9.58527882    -12.77873858
  H     13.81053719      7.42151468    -12.91810606
  O     15.87383909      9.86687541    -13.36179473
  H     15.25646782     12.81080306    -12.54187327
  H     12.54417776      7.84900385    -13.71037452
  O     19.00547923     11.54101591    -13.89403177
  H     16.33933116     12.39418042    -11.51009918
  H     18.65566760      7.92421978    -11.59367979
  O     17.60181890     10.88654314    -11.45144649
  H     12.40290039     10.24726808    -14.91544702
  H     19.81317291      8.80138788    -12.11586786
  O     13.30545743      7.25481540    -13.72455491
  H     13.48095006      9.83899853    -15.92960920
  H     15.02172752     10.45108216     -9.44921931
  O     19.21250225      8.68032533    -11.37018565
  H     15.62577860     12.34232909    -14.90169410
  H     16.43272462     10.17553628     -9.98501109
  O     15.68345556      9.75473833     -9.54744798
  H     14.16464600     11.81158575    -14.76964328
  H     14.40292203      4.95584428    -15.54316194
  O     14.20418967      4.76172113    -14.61927170
  H     13.50011363     12.56601722     -9.17124675
  H     13.76397263      5.55023398    -14.27371244
          69
 Energy    -248.43499474730055     
  O     15.60886302      9.71943566    -16.08667232
  H     16.32992999     10.30492610    -16.34096222
  H     17.81337322      4.96402243    -10.49644076
  O     17.93225411     13.18402022    -11.52526197
  H     15.96841016      9.12901430    -15.40711560
  H     19.21139874      8.30098007    -16.10013178
  O     19.27036175      7.69168575    -14.34999582
  H     18.69754632     12.74903297    -11.12836098
  H     18.36503866      7.97942091    -17.34855939
  O     14.68201470      7.34802018    -17.17442242
  H     17.78037598     12.72111382    -12.36088623
  H     16.08559721      8.07778089    -13.37891261
  O     17.55978606     10.39449854     -9.10841044
  H     18.30129665      7.76829982    -14.32188356
  H     16.12672456      7.04940605    -14.52370756
  O     15.00536065      8.30012996    -11.93293715
  H     19.46668118      6.77165429    -14.13895907
  H     13.68683621     10.81110082    -13.86268375
  O     17.46413054     11.35595675    -13.62054858
  H     14.92236613      8.24638208    -16.90138026
  H     14.09324928     10.37988549    -15.27296717
  O     19.33029335      4.98814712    -13.59180967
  H     15.47938173      7.00522903    -17.59756630
  H     17.41942394      8.81519642     -9.93621827
  O     13.04732790      6.66375973    -13.14008910
  H     16.87261456     11.03218720     -9.33789571
  H     16.49065812      8.11174144    -10.97112053
  O     17.50235294      4.79603513    -15.80292724
  H     18.39141758     10.79341104     -9.39197015
  H     12.60410359      8.94166068    -15.15113235
  O     14.98877976      5.65031801    -14.97143560
  H     14.83605431      9.24375199    -12.07180538
  H     12.92729533      7.79979600    -16.14975405
  O     18.20403311      5.52507893    -11.16240146
  H     14.25724466      7.79008055    -12.26620397
  H     19.74073341     10.72765779    -11.14431949
  O     18.91779705      8.66089797    -16.94843762
  H     18.03207555     10.69685482    -13.19819185
  H     20.83209432     11.39127830    -10.27394736
  O     16.53714081      7.86376276    -14.20522315
  H     17.67014224     11.35071410    -14.56242777
  H     18.50993497      8.99163766    -11.69931558
  O     13.32080429     10.52986471    -14.70877647
  H     18.91825567      5.15463738    -12.72630326
  H     19.35867786      8.90167580    -12.99609990
  O     17.37714880      8.09414560    -10.58153936
  H     20.04654968      4.37648537    -13.44096757
  H     15.34988563     13.13208308     -9.60209229
  O     12.40703827      8.01655504    -15.37063799
  H     12.74264978      7.15888733    -13.92348664
  H     16.51017028     12.79908884    -10.57132390
  O     19.89886341     11.40961950    -10.46931569
  H     12.27919532      6.24017869    -12.76679352
  H     17.55982173      6.01684624    -18.73182762
  O     19.10321475      9.49377060    -12.27674758
  H     16.61075177      4.87826661    -15.43570502
  H     17.44266540      5.84817436    -17.20102139
  O     15.75406546     12.41848165    -10.08862939
  H     18.11079255      4.79751390    -15.05575024
  H     15.06701037     11.49854418    -11.58217897
  O     17.30766556      6.47532065    -17.93382732
  H     14.74048553      6.15787044    -15.75938617
  H     15.76857023     11.14075450    -12.91202216
  O     14.95197738     11.01224097    -12.40742828
  H     14.32011038      5.82725266    -14.29972963
  H     18.39110763     10.28253734    -16.64440451
  O     18.00444733     11.14448440    -16.40431006
  H     17.95779829      6.43105319    -10.91783735
  H     18.34272857     11.78312126    -17.02574066
          69
 Energy    -248.43467873328012     
  O     12.64664267     10.08872195    -10.38330743
  H     11.83430938     10.58609885    -10.32732380
  H     13.70927227      6.24705626    -14.71575130
  O     15.43818952      5.65026051    -11.33546641
  H     12.75947273      9.83715413    -11.31680135
  H     14.96128964      7.67301291    -16.00327814
  O     15.85313032     11.75692946    -13.53184619
  H     15.82020835      5.27119026    -12.14224297
  H     16.13485583      8.66842278    -15.92747490
  O     18.45247186     11.08605101    -13.61765801
  H     14.49375642      5.45429541    -11.32283318
  H     16.13283450      8.71566899    -11.73510900
  O     11.03967934      7.38151285    -15.95642440
  H     15.53347336     11.70366544    -12.61781310
  H     15.62882479      7.32040319    -12.18623481
  O     16.01114146      6.96516508     -9.00634644
  H     15.12216409     11.52348459    -14.11135364
  H     14.12374234      7.45717388     -9.10158837
  O     12.37126946      6.74362853    -13.56214525
  H     18.98041384     11.85075754    -13.82850364
  H     13.02039595      8.42643770     -9.60448103
  O     13.75794768     10.60117746    -15.26075255
  H     17.52695676     11.39201332    -13.56544461
  H     12.74237676      6.21935581    -10.42431748
  O     13.42401323      8.46370033    -18.42611844
  H     11.48872658      6.79174669    -16.57436510
  H     12.09406261      4.82692776    -10.62907887
  O     16.47895067      5.01897177    -13.73814760
  H     11.35338384      7.12388786    -15.07959822
  H     19.00551232      9.68091362    -12.38525932
  O     17.38755868      8.76729256    -14.65235143
  H     15.90090784      6.42598988     -9.80912915
  H     19.11554116      8.13985053    -12.32485332
  O     14.38006872      6.05251001    -15.38609353
  H     16.40169487      6.39866256     -8.34564545
  H     19.64057628      6.46438035    -14.28003903
  O     15.27817493      8.51984792    -16.34823744
  H     12.35120651      6.24110003    -12.73970928
  H     18.41062817      7.39827620    -14.21888353
  O     15.73183372      8.23588833    -12.47301034
  H     12.59798358      7.65513940    -13.32476008
  H     17.79512479      9.19830257    -10.61134537
  O     13.19582264      7.50936900     -9.35832942
  H     12.94984313     10.56511630    -15.78782755
  H     16.71281245      8.57558466     -9.66490405
  O     12.62174214      5.49222826    -11.06249612
  H     14.33803430      9.92253618    -15.63717193
  H     13.01172857      6.78767982    -18.08306352
  O     19.13350397      8.93574594    -11.78312490
  H     14.19727385      8.56306518    -17.85141227
  H     12.63933006      5.33424589    -18.46234118
  O     18.86714722      6.67224541    -13.76012846
  H     12.75775797      9.05686423    -18.05893916
  H     14.32024555     11.07042376    -10.57852938
  O     16.92916636      9.34770511    -10.20171230
  H     17.30328947      5.51321564    -13.81849226
  H     15.83529978     10.80473612    -10.51831020
  O     12.77702728      5.91495799    -17.71919789
  H     15.86676795      5.34604933    -14.41061012
  H     10.68418505     10.33058579    -17.09923738
  O     15.17092526     11.41286687    -10.87192889
  H     17.81796931      9.60883876    -14.45388582
  H     11.27787504      9.04531437    -16.47798152
  O     11.50377599      9.92577665    -16.82811124
  H     16.76624059      8.59707140    -13.92537376
  H     14.13438611      8.95178211    -12.73215869
  O     13.23778584      9.27315545    -12.91671547
  H     13.89872252      5.82569548    -16.19218746
  H     13.30260267      9.81090971    -13.71651871
          69
 Energy    -248.43459678896750     
  O     17.65760628      7.89141259    -11.72388550
  H     18.01063524      7.74286804    -12.61037356
  H     17.75364885     10.06412113     -7.05833657
  O     12.45307085     10.52948240    -12.30907751
  H     18.19658603      8.55706404    -11.27124966
  H     14.95544030     10.45354945    -11.05506522
  O     18.36357290      7.66434801    -14.41964522
  H     13.04820308     10.72002210    -11.56933884
  H     14.18622846     10.06453534     -9.76290152
  O     15.64360601      6.80498369    -10.17738285
  H     12.54860003     11.28632572    -12.90400224
  H     18.91982851      9.11531592     -8.69731989
  O     18.81959893      9.98195993    -10.36787738
  H     17.54218845      7.93770365    -14.86781111
  H     18.25561237      7.99420096     -7.85096607
  O     20.07886107     11.64248520    -12.23138396
  H     18.71329254      6.92716316    -14.91296805
  H     16.59665840     12.84958048    -12.90125698
  O     16.86946676     11.75531969     -9.38612271
  H     16.34481620      7.13688562    -10.75666858
  H     15.97108015     11.46104960    -13.14539946
  O     11.56699732      8.31179808    -10.89511358
  H     16.07716255      6.57372538     -9.34621273
  H     16.32021045      7.22448296     -7.24205695
  O     16.13906079      8.62541776    -15.63177061
  H     19.37268366     10.51195492    -10.95514584
  H     17.03552765      5.86321711     -7.06461210
  O     13.55562793      6.60132018    -12.12338261
  H     18.11398182     10.56874507    -10.05873957
  H     16.51077146      9.20488630    -12.21237179
  O     13.86406240      8.61535338    -13.95702406
  H     20.97404495     11.94201531    -12.36500896
  H     15.19004810      9.37936522    -13.00965247
  O     17.10701321     10.73390124     -6.76931640
  H     19.80187018     11.20626832    -13.05708407
  H     18.53832730     10.76630754    -15.01005340
  O     14.42702369     10.81466845    -10.32428207
  H     16.92841962     11.54645313     -8.44557048
  H     19.06280127      9.43125040    -14.45512710
  O     18.74517949      8.82344463     -7.79271413
  H     15.96602802     11.54278243     -9.65872431
  H     16.83876060     11.97483541    -16.59598243
  O     16.00591399     12.36520437    -13.49502320
  H     10.61751429      8.22569113    -10.85878225
  H     16.59580467     11.82278314    -15.07632647
  O     16.91951135      6.58814964     -7.67327404
  H     11.75447890      9.09745318    -11.43490212
  H     14.36677610      7.89289275     -9.46695457
  O     15.83204268      9.84380368    -12.45568895
  H     15.27249302      8.57892294    -15.20724684
  H     12.88494738      8.35798570     -9.52487011
  O     19.23708339     10.37986514    -14.46850625
  H     16.31672413      9.55932849    -15.79884285
  H     18.61114998     12.82927568    -11.82527573
  O     16.95082298     11.37524698    -15.86280597
  H     12.81569082      7.01554615    -11.66277841
  H     17.48144865     12.91194336    -10.78125685
  O     13.71244264      8.46924388     -9.04240649
  H     14.26365602      6.51216589    -11.47270004
  H     14.20986365     12.66269820    -13.72342319
  O     17.78241154     13.28033527    -11.62238753
  H     13.77097938      7.80821435    -13.42569230
  H     13.01227817     13.60679576    -13.90650298
  O     13.24674165     12.68433812    -13.83696364
  H     13.26306658      9.26628050    -13.57581359
  H     15.74468241      9.35283247     -6.68708414
  O     15.26606980      8.51551161     -6.70650838
  H     17.45427202     11.12661000     -5.97254754
  H     14.60067257      8.58621628     -7.40491694
          69
 Energy    -248.43448115669878     
  O     -3.86096576     -0.48398179      2.78257665
  H     -3.51642753      0.27362450      3.27321312
  H     -6.16373763     -2.25865150      1.16211534
  O      0.68032463      3.86599397      2.21666274
  H     -3.08819502     -0.94683630      2.43346757
  H     -3.28621337      1.85018500      0.12821894
  O     -1.48474670     -1.49028916      1.80281409
  H      0.99929158      4.74596741      2.03424700
  H     -2.82636580      2.88259216     -0.91131835
  O     -3.98232838      0.69672587     -2.92320120
  H     -0.28592230      3.93549445      2.26955388
  H     -6.21205138      1.72871792      0.66546524
  O     -1.91058711     -1.16806447     -2.25413631
  H     -1.03275426     -1.21119369      2.60842251
  H     -7.39358564      1.94318720      1.62939153
  O     -4.67068002      0.83967444      0.47794228
  H     -1.20026178     -0.87038626      1.11416722
  H      0.99126876      2.08623566      2.00685890
  O     -7.48765891      1.31116923      3.37700436
  H     -4.72937741      0.18858525     -2.57740554
  H      0.57712643      0.88235758      1.11553020
  O     -8.27709747      0.73642383     -1.32120877
  H     -3.21009165      0.13830276     -2.77565459
  H     -5.07104666      3.47815291      3.45227194
  O     -2.56636179      1.64034919      4.02182848
  H     -2.37709934     -1.71723555     -1.59834133
  H     -4.35043180      2.32756334      4.18163308
  O     -3.98454666      3.34600893     -2.31906950
  H     -1.52496169     -1.76919655     -2.88642880
  H     -2.87910683      4.29044743      2.33743463
  O     -5.93371987     -0.69194057     -1.51322859
  H     -4.99159655      0.24713514     -0.21432475
  H     -2.18661455      3.29907259      1.37457934
  O     -5.88368748     -2.76439884      0.37883136
  H     -4.46230881      0.31925400      1.26453490
  H     -4.92929990      4.78585936      1.45694168
  O     -2.53728536      2.41716546     -0.11849872
  H     -8.11990967      1.43769163      4.07937833
  H     -4.89550355      5.85450576      2.57330868
  O     -7.08291318      2.15100092      0.74007181
  H     -6.67464375      1.77506883      3.64834385
  H     -6.95781844     -0.49183246      2.81531118
  O      0.99761680      1.11991880      1.95105724
  H     -8.86128981      1.28232220     -1.84133735
  H     -5.55307388     -1.10434391      2.81658470
  O     -5.22348723      2.68426143      3.97956012
  H     -7.96698208      1.29422667     -0.58968375
  H      0.23752874      0.36589804      3.29148964
  O     -2.08714529      3.75078262      2.22710236
  H     -2.32196765      2.36570215      3.42987124
  H      0.30938791     -0.34566189      4.66523948
  O     -4.60358388      4.97329393      2.35527181
  H     -1.77605059      1.09725806      4.13513895
  H     -3.98984198     -2.71368011      0.01155774
  O     -6.47541161     -1.29228072      2.58425894
  H     -3.84389644      3.83796934     -3.12355004
  H     -2.55156943     -2.43124367      0.52730151
  O     -0.29443738     -0.08063895      3.97699072
  H     -4.02160784      2.40577511     -2.57320454
  H     -0.96710957     -0.16481795     -0.97268899
  O     -3.07219609     -2.61433701     -0.26531475
  H     -6.80639250     -0.27107299     -1.51780383
  H     -1.28600527      1.11379534     -0.17195898
  O     -0.71095807      0.33513779     -0.18814278
  H     -5.99774799     -1.49096089     -0.97631927
  H     -6.22438769      3.67106942      0.12072725
  O     -5.57417227      4.35204064     -0.10160172
  H     -6.33477945     -3.60362585      0.42197458
  H     -5.09057124      4.03047414     -0.87095297
          69
 Energy    -248.43443853946340     
  O     -3.64564973     -6.23304522      3.03862983
  H     -3.80931042     -6.19648533      3.97709413
  H     -3.51900597     -6.79153559     -3.87663865
  O      0.85163946     -2.00287950     -2.84811281
  H     -2.72231425     -6.52478906      2.92870761
  H      2.74265866     -3.91831648     -0.50942424
  O      1.23321785     -7.28976115     -0.23960864
  H      0.97613841     -1.13648534     -3.22522659
  H      3.68966910     -3.44488402      0.61941988
  O     -5.78291410     -8.77226419     -2.97008308
  H      0.71508648     -1.87985731     -1.89182009
  H     -1.27687170     -9.20315527     -2.20251177
  O      2.48944499     -4.28693776     -2.20820318
  H      1.18136857     -6.58198742      0.41466989
  H     -2.44842556     -9.65963579     -1.24877702
  O     -0.89557805     -8.51340568     -3.90224783
  H      0.85867866     -8.06317556      0.19659175
  H     -5.94179743     -3.37277437     -1.16940042
  O     -2.51278507     -6.75376381     -0.73434660
  H     -6.59498545     -9.10623727     -3.34156658
  H     -4.91002582     -4.12543825     -0.29881431
  O     -1.00324096     -4.09675456     -2.76763832
  H     -6.03007338     -8.05591817     -2.35764031
  H     -3.84475516     -7.38829795      0.29465470
  O     -6.31836644     -6.86152941     -1.12028918
  H      1.97299200     -5.05716715     -2.47647135
  H     -4.41467294     -7.37604281      1.71553827
  O     -4.15812460     -9.94812385     -0.94114830
  H      2.04442444     -3.51877401     -2.58663067
  H      1.54676995     -4.65511056      1.35369159
  O     -0.25859068     -9.30845348      1.10813803
  H     -1.81593481     -8.23344543     -4.06216807
  H      0.04353359     -4.87059514      1.06156656
  O     -3.44581912     -7.70916797     -4.17571332
  H     -0.62364343     -9.01396207     -4.66687114
  H     -1.71241395     -5.27733007     -0.07741471
  O      2.77285698     -3.60291334      0.41186435
  H     -2.08323339     -7.58470571     -0.96974793
  H     -1.17962052     -4.13546713     -0.94116410
  O     -1.53177642     -9.34103210     -1.28344832
  H     -2.89100986     -6.37211682     -1.53776373
  H      1.30169000     -2.44063862      0.16344946
  O     -5.38850580     -4.14904851     -1.14636571
  H     -0.44981771     -4.89400099     -2.79256052
  H     -0.22717256     -2.58825548      0.14118226
  O     -4.54772109     -7.76762796      0.84603060
  H     -0.43702785     -3.34159601     -2.96217808
  H     -0.85729830     -7.84422369      2.17428095
  O      0.78297407     -5.19127739      1.59973918
  H     -6.11812276     -5.92065017     -1.17397024
  H     -0.37450172     -6.40974947      2.47005265
  O     -1.33637055     -4.38336229     -0.01972878
  H     -5.84537519     -7.18436787     -0.34019524
  H     -3.89468132     -4.78690258      1.82117508
  O      0.48884485     -2.00946489     -0.13627766
  H     -4.37595961     -9.36792321     -0.19922052
  H     -3.00188499     -4.02527513      0.82404077
  O     -1.08674593     -7.03621274      2.64925017
  H     -4.73497496     -9.67510539     -1.66535674
  H      0.80162765     -6.72422614     -1.84272063
  O     -3.91180821     -4.10751568      1.13567634
  H     -0.05207231    -10.18959553      1.40888553
  H      0.15156976     -7.07283241     -3.20794296
  O      0.57548409     -6.36181546     -2.71527747
  H     -0.73061274     -9.40579446      0.26277819
  H     -4.16065913     -4.78109290     -2.39640197
  O     -3.50079846     -5.25582708     -2.91686840
  H     -4.23992904     -8.15080947     -3.85227480
  H     -2.69541641     -4.72024910     -2.95429383
          69
 Ord_Energy   -248.434387    
 O   -7.21569204      0.793546021       2.42085338    
 H   -8.04162025      0.547767520       1.98753846    
 H   -6.58468437       9.42423567E-02   2.20243430    
 O   -12.2516365      -2.97538090       4.09711313    
 H   -12.0065718      -3.27384377       4.97971630    
 H   -11.9361715      -3.65640664       3.49009395    
 O   -7.77089691      -2.38851094       3.77511883    
 H   -8.26229095      -1.72531021       4.27828121    
 H   -7.58662701      -3.13001037       4.36433077    
 O   -9.84004879      -5.74600124       4.88839626    
 H   -9.39700413      -6.55303526       4.58940029    
 H   -10.1964302      -5.33901453       4.08563757    
 O   -5.14085484      -3.55671382      0.341156632    
 H   -5.92613077      -4.12398815      0.406813979    
 H   -4.86068106      -3.57963061     -0.570418894    
 O   -3.74454188      -2.01260281       4.14306450    
 H   -2.95097208      -1.49575424       4.02057600    
 H   -4.36509800      -1.74134409       3.44490194    
 O   -3.86845088      -4.57364273       2.75365734    
 H   -3.74699640      -3.80403328       3.32217264    
 H   -4.12115622      -4.22623444       1.88967824    
 O   -6.87592173      -3.09590364       7.72107267    
 H   -6.38253069      -2.41028261       7.23422766    
 H   -6.39564800      -3.26066566       8.52788830    
 O   -11.1120930     -0.541408360       3.33540869    
 H   -10.4902172     -0.412329912       4.06520510    
 H   -11.6113462      -1.33879387       3.55731177    
 O   -9.64194775     -0.145190954       1.14157021    
 H   -10.1169825      0.389710426      0.511757135    
 H   -10.2293034     -0.254184574       1.91458738    
 O   -7.37605333      -4.56919289       5.41450071    
 H   -8.26547432      -4.94846487       5.38506126    
 H   -7.22156000      -4.18537331       6.28596544    
 O   -9.04822063      -2.87458229       1.44746697    
 H   -9.28573895      -1.99412608       1.13595200    
 H   -8.64082813      -2.73545718       2.31826806    
 O   -7.41774082      -5.02619553      0.894829750    
 H   -7.05673075      -5.30608749       1.75212538    
 H   -7.99008799      -4.25538921       1.03334272    
 O   -11.2746592      -4.15678501       6.60501957    
 H   -10.7915382      -4.81560087       6.07978535    
 H   -11.9146271      -4.63872528       7.12431669    
 O   -5.53167295      -1.25878167       6.25488949    
 H   -5.92599630     -0.457985371       5.88864183    
 H   -4.88249016      -1.56230247       5.60923767    
 O   -8.42639542      -7.68521833       3.53883481    
 H   -8.83558750      -7.60849333       2.66873789    
 H   -7.56668234      -7.25050688       3.45585680    
 O   -9.52581787      -2.06546545       7.45460033    
 H   -8.67140579      -2.46572185       7.65664005    
 H   -10.1307983      -2.78444934       7.23218393    
 O   -5.65046072      -1.51961946       2.24000478    
 H   -5.51749611      -2.14086890       1.51447606    
 H   -6.38897610      -1.84639966       2.77991867    
 O   -10.8011303      -4.79503155       2.44013429    
 H   -10.5661793      -5.56935167       1.91587269    
 H   -10.2970791      -4.05811071       2.06543112    
 O   -6.25688028      -5.86192274       3.26224303    
 H   -6.57477951      -5.43213797       4.06930780    
 H   -5.34828806      -5.55738592       3.13199449    
 O   -9.50074387      -6.87770081      0.963286817    
 H   -8.74228191      -6.29265213      0.803853869    
 H   -9.64926434      -7.36166477      0.154581130    
 O   -9.13873577     -0.489351273       5.27452898    
 H   -9.30165577     -0.955328405       6.10884237    
 H   -8.41631508      0.135596186       5.39826488    
 O   -6.79597044       1.05571997       5.10571718    
 H   -6.94395113       1.02430058       4.14361382    
 H   -6.64563656       1.97053564       5.32946634    
          69
 Energy    -248.43402077145942     
  O     -1.35589206      4.29150938      2.63662151
  H     -1.12322577      3.47813823      3.10090621
  H      0.09360380      8.26424446      0.03013256
  O     -2.05775423      6.06606600     -1.12125709
  H     -2.01852989      4.08869501      1.96068295
  H      0.87134969      1.17801085      1.03279481
  O      4.77338320      5.49140306      0.89794896
  H     -1.12165584      5.93778268     -1.32114699
  H     -0.58696452      1.10097703      0.55566230
  O      2.41226471      6.76772935      1.69176019
  H     -2.08286716      6.82461385     -0.52235581
  H      0.39464844      4.13115718     -2.33769856
  O      0.74404945      5.67825479     -1.48567618
  H      4.39873146      5.27426743      0.02603867
  H     -0.34119992      2.78973854     -1.99299433
  O      2.30585175      2.18199094      0.49226514
  H      5.66234852      5.80049887      0.74429876
  H     -3.87063107      1.39857204     -3.55938995
  O      0.88060536      4.53586491      0.95666059
  H      2.25566707      6.79367237      2.64497923
  H     -3.34158761      2.75177712     -3.02519530
  O     -1.69454792      8.14405393      0.74796063
  H      3.29962778      6.42090310      1.53309562
  H      1.16489901      3.22880663      4.16040389
  O     -1.54244750      1.93587087     -0.87419368
  H      0.75766655      5.20416715     -0.63602594
  H      2.59366867      3.65595269      3.73756915
  O     -0.93157520      6.97747540      3.06461987
  H      0.85965770      6.61673191     -1.26847219
  H     -2.49355521      4.95074099     -2.69298469
  O     -2.94299071      3.93886482      0.44663382
  H      2.53604525      2.14542547     -0.44217856
  H     -1.52877346      3.94023222     -3.34090825
  O      0.97439396      8.10443915     -0.33017150
  H      1.82478695      3.01283017      0.63576086
  H     -0.53736304      1.31453731      4.39818768
  O     -0.01151122      0.88287389      1.29809675
  H      0.12486756      4.43608906      1.54811260
  H     -0.19939729      1.52349222      2.90400981
  O      0.18530251      3.24422527     -2.66816667
  H      1.41633507      5.26682383      1.29519198
  H      3.05317715      1.68166938     -2.96817890
  O     -3.73058342      1.89851175     -2.75985155
  H     -2.20558736      8.92174332      0.95602537
  H      1.84904732      2.56254967     -2.56051012
  O      1.83493667      3.90770640      4.28567125
  H     -1.42909778      7.74994428      1.59881836
  H      1.66155303      5.61125326      4.37899389
  O     -2.44988245      4.22973319     -3.33258487
  H     -2.22689049      1.65640039     -1.49229045
  H      1.91329909      6.90035850      5.19662892
  O     -0.29248450      1.97889490      3.75986078
  H     -1.95590043      2.62842010     -0.33720093
  H      4.30082955      4.01088955      2.05236964
  O      2.75972099      2.32024607     -2.32350914
  H     -0.10425662      6.98699589      3.55752592
  H      3.46345119      2.74062080      1.85990533
  O      1.61140503      6.58523332      4.34956222
  H     -1.17766334      6.04262718      3.00146726
  H     -6.17396335      3.01855885     -0.84345090
  O      3.89458369      3.28201268      2.53492223
  H     -3.82399102      3.63954490      0.18302998
  H     -4.84322687      2.48020336     -1.39765719
  O     -5.25292550      2.89927426     -0.62555768
  H     -2.71185707      4.70733650     -0.09362044
  H      3.46269424      4.02511799     -1.82391502
  O      3.56764650      4.92326563     -1.48713129
  H      1.50963000      7.77740984      0.40768621
  H      2.70600628      5.33835982     -1.60189355
          69
 Energy    -248.43391219595031     
  O     13.22801100      2.89917865    -12.88693153
  H     13.67221007      2.28982677    -13.47178070
  H      8.29584719      7.56325063    -10.88544899
  O     11.54900024      1.48701550     -8.85119158
  H     12.28219060      2.86637237    -13.11924120
  H     12.42940420      5.97197991    -10.53589354
  O      9.05947094      5.31017282    -13.25925646
  H     10.95993574      2.14725550     -8.44421088
  H     12.52969661      4.50662565    -10.02772981
  O     15.62275134      7.34603109     -9.89143045
  H     11.54111806      0.72361882     -8.27949791
  H     13.95128248      5.58369334     -5.52574371
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  H      8.40229217      6.00134541    -13.11136965
  H     12.93706726      5.74823420     -6.68293433
  O     10.58864561      2.81478526    -13.47100780
  H      9.75266892      5.73005294    -13.78810407
  H     10.34748789      1.51578180    -10.38906741
  O     13.54089356      3.03092934    -10.09675663
  H     16.53596392      7.48085174    -10.12878708
  H      9.47673213      2.68884481    -10.85312008
  O     13.26338521      5.64283211    -13.74272816
  H     15.55089465      6.43826137     -9.54229049
  H     14.01211202      7.56318435     -7.21276989
  O     11.18400742      8.82057426    -10.81619238
  H     11.58831926      5.65934998     -8.30587580
  H     14.65343931      8.13619349     -8.48407863
  O      7.61861152      7.70892944    -12.64337847
  H     10.78639503      6.55482382     -7.31400078
  H     14.76356359      4.17782473     -9.21515311
  O      9.95718722      8.86562673    -13.37299442
  H     10.25516178      2.30346846    -12.71701174
  H     14.81574337      5.08550756     -7.95606478
  O      8.85585023      7.35699763    -10.12666765
  H      9.99832834      3.56943153    -13.55815199
  H      9.23482892      4.78819302    -11.51716363
  O     11.97027427      5.29481419    -10.02486932
  H     13.48265474      2.91127572    -11.05501642
  H     10.32654948      4.80059901    -10.41520509
  O     13.88072647      5.80355648     -6.45090422
  H     12.93206157      2.40620346     -9.68004110
  H     12.66581318      7.88811056    -11.27526866
  O      9.72549162      1.78234767    -11.07516732
  H     13.37980970      6.20787714    -12.96469387
  H     14.12950478      7.38643461    -10.96530484
  O     14.05291730      8.35542441     -7.76095519
  H     13.33390215      4.73160603    -13.43854557
  H      9.42221161      3.79248149     -8.70575218
  O     15.24753600      4.90289010     -8.80050373
  H     10.42454047      8.27300122    -10.57191548
  H     10.33749349      4.20448839     -7.54654291
  O      9.38877571      4.60612282    -10.57884808
  H     11.43248693      9.30995122    -10.02164666
  H     12.67731998      9.35808971     -8.09655946
  O     13.33172514      7.21755373    -11.48197490
  H      6.84920946      8.16354284    -12.97458614
  H     12.04438405     10.76549336     -7.98375361
  O      9.88524780      3.44342143     -7.93648315
  H      8.39858410      8.20295586    -12.95699034
  H     11.84230776      6.27158908    -14.46149269
  O     11.89569964      9.89004356     -8.33074464
  H     10.42009013      8.19550443    -13.89258905
  H     11.04978595      6.59455858    -15.74926864
  O     11.00280815      6.63268701    -14.79757307
  H     10.47626287      9.00106709    -12.56967395
  H      9.34399498      7.89480948     -8.36472952
  O      9.84009530      8.04396199     -7.54895331
  H      8.97884241      6.39954537    -10.14781206
  H     10.46851371      8.75087460     -7.74145026
          69
 Energy    -248.43387640069491     
  O     15.26622089      5.29293970    -16.47245018
  H     15.58316509      6.20170063    -16.38542520
  H     17.05494791     11.35370536    -14.00899507
  O     17.68587061      5.51001833     -9.87480364
  H     14.31938921      5.33387190    -16.29019337
  H     16.62530859     10.87569398    -16.09635988
  O     16.87167998     11.98855146    -10.34453621
  H     17.66940337      5.26489462    -10.80759969
  H     16.10235841     11.08739646    -17.53898146
  O     19.62054257      9.53084510    -13.67166522
  H     17.94563060      6.44278408     -9.83308051
  H     16.74464048      8.12340440    -12.71053233
  O     16.26264382      3.40946094    -14.79251169
  H     16.40048155     11.81162315    -11.17674286
  H     15.38206928      8.14448912    -11.93594324
  O     15.27666061      5.53538142     -8.68777235
  H     16.82544329     12.93043231    -10.19976751
  H     11.76408305      5.16084305    -15.80196157
  O     13.68639650      7.50787532    -11.70392513
  H     20.55701615      9.56495583    -13.84880909
  H     12.87843605      4.81666841    -14.78498798
  O     19.17640506     10.40985382    -11.15101379
  H     19.49625088      9.86902064    -12.76625376
  H     15.48752091      9.43676258     -8.66135815
  O     14.05937549      8.05785980     -8.95733052
  H     15.97785908      4.07664606    -15.44321577
  H     16.38707566     10.64715678     -9.02449764
  O     15.86432845      7.94771213    -15.80571864
  H     16.66590558      2.69951379    -15.28475441
  H     14.75927951      4.98178095    -10.44628025
  O     17.12259508      5.02603191    -12.64840455
  H     16.18096331      5.52375312     -9.05374429
  H     15.50260047      4.99233883    -11.81026645
  O     17.65231001     11.27761216    -14.76539369
  H     15.27835295      4.94310440     -7.94045796
  H     17.37835916      8.34267598    -10.60906571
  O     15.96522674     10.57458340    -16.74774376
  H     13.65132998      7.82702892    -10.79384831
  H     17.53043791      8.76723235     -9.14317120
  O     16.25271482      8.55493754    -11.99939880
  H     13.91405050      6.56708873    -11.65583908
  H     15.01261039     11.14416318    -13.31695078
  O     12.58791665      5.47629450    -15.44019625
  H     18.51548799     11.06178142    -10.89251130
  H     15.93455480     10.25627650    -12.43694401
  O     16.28885171      9.90902970     -8.40864699
  H     18.97021668      9.62570666    -10.62369820
  H     13.03502687      7.17205956    -14.80285702
  O     14.62551868      4.94076690    -11.39965880
  H     13.39696893      8.14080734     -8.27388233
  H     13.42299660      7.86134190    -13.46863435
  O     17.96541929      8.25739370     -9.84122281
  H     14.50524211      7.20866613     -8.80725741
  H     14.47890184      3.41606214    -14.05514422
  O     15.74041003     11.17440823    -12.68016759
  H     15.93427807      8.80064995    -16.25174089
  H     13.82458230      4.03013774    -12.80934698
  O     13.42841689      7.97103669    -14.42961842
  H     15.04415346      7.97099362    -15.29083553
  H     14.47811132     10.78124160    -15.48879578
  O     13.62589833      3.67973215    -13.68788470
  H     17.44506441      5.81998824    -13.09762956
  H     13.58495565      9.85747174    -14.64249868
  O     13.91350129     10.76373952    -14.70658112
  H     16.93003988      4.38403828    -13.34387793
  H     18.50273518      8.06171791    -13.92254511
  O     17.81425048      7.38507771    -13.94924174
  H     18.38673218     10.72722741    -14.47069197
  H     17.21785220      7.58525663    -14.68636310
          69
 Energy    -248.43387352242806     
  O     15.42860021     10.19815827    -16.43333162
  H     14.57122117     10.14310671    -15.99532307
  H     20.37559210     10.65968172    -17.48427343
  O     15.95470243      5.16807488    -13.89959685
  H     15.36204444      9.73970645    -17.28173773
  H     16.46422734      8.38879681    -13.99601419
  O     17.52389192     13.35840707    -10.87772364
  H     15.12097711      5.63721417    -14.00368005
  H     16.49542315      9.12262319    -15.36869865
  O     19.71846595      8.73325412    -14.54891173
  H     16.43912245      5.31737600    -14.72101884
  H     13.62326258     10.38588000    -14.05248692
  O     14.86116319      6.52536487    -17.04403068
  H     18.19124913     12.77929259    -10.47496716
  H     12.27576886     10.36168297    -14.80907068
  O     17.01002918      9.84425967     -9.15062440
  H     17.75175689     14.25236599    -10.63438533
  H     17.82625850      6.88386106    -11.27597042
  O     15.33534813      8.26552347    -12.52916191
  H     18.75009196      8.66388899    -14.59287136
  H     16.70330910      7.91937614    -11.48854796
  O     17.41066821     11.76417234    -13.22247510
  H     19.96987346      9.19389493    -15.35753752
  H     14.12026443      6.90235197    -15.44689222
  O     19.67331538      5.88042436    -14.43971527
  H     14.94648245      7.21576278    -17.71205427
  H     13.42666500      8.01864241    -14.64744597
  O     17.52583453      6.16477737    -16.11653434
  H     15.75894722      6.20168900    -16.89907212
  H     19.36813979     10.87369812    -10.72691561
  O     18.04327365      5.23488946    -12.12620271
  H     17.81620746     10.36499518     -9.23106513
  H     20.18264716     11.38350456     -9.51414144
  O     19.75263907     10.13194623    -16.99200449
  H     17.17663537      9.03202640     -9.64600149
  H     19.51946842      9.46313713    -12.90432854
  O     16.99038244      8.52685672    -14.79216106
  H     15.06468827      9.19337217    -12.51917869
  H     18.59427787      9.07048612    -11.71432219
  O     13.13975620      9.95792910    -14.78053276
  H     14.73659481      7.78793153    -13.11926097
  H     15.85297579     12.39953045    -10.36478406
  O     17.55208589      7.77753179    -11.03965491
  H     17.96198910     11.04137481    -12.89369227
  H     15.69610587     10.99329900     -9.77721720
  O     13.82283970      7.14392070    -14.55551604
  H     17.42223377     12.44265085    -12.53598655
  H     18.09497690      7.35303508    -17.56928187
  O     19.33918485     11.46265617     -9.95218704
  H     19.87364827      6.82564076    -14.41356635
  H     18.71654618      8.75468932    -17.79867240
  O     19.11418678      9.79547141    -12.09267105
  H     19.25945902      5.66672845    -13.59477145
  H     15.61774443     11.23650162    -13.11580003
  O     15.20747554     11.69709435    -10.22928566
  H     18.34389100      5.89774755    -15.67173560
  H     14.71519509     11.22499705    -11.86809267
  O     18.10873903      8.10507771    -18.17284093
  H     17.25652415      6.99296422    -15.68480358
  H     16.90554051     11.31724661    -16.27158796
  O     14.74482734     10.96507240    -12.80181741
  H     18.13280948      4.38317698    -11.70520911
  H     17.70602393     11.82799908    -15.06451467
  O     17.76040358     11.69124608    -16.01935212
  H     17.24891576      5.18356748    -12.68642077
  H     16.48998601      8.50278982    -18.65317790
  O     15.54308846      8.69822887    -18.78033964
  H     19.06489375     10.74021506    -16.66446794
  H     15.40487041      8.80508890    -19.71717892
          69
 Energy    -248.43381876190591     
  O      3.72717188      0.86568753      6.56892285
  H      4.39677653      1.03784977      5.88298499
  H      3.14620936      2.73030099      6.57650839
  O      1.84068485      3.64761279      0.10252649
  H      4.16994991      0.40990372      7.27966691
  H      1.73619487     -0.00526765      1.98298726
  O     -0.90954058      4.25558058      0.20053410
  H      0.93744589      3.98180661      0.03852809
  H      2.09901332     -0.47170955      3.40034374
  O     -0.11888418     -2.31654364      2.27231297
  H      2.03721673      3.12429860     -0.69013089
  H      2.94285825      3.72041643      1.50609466
  O     -1.45898409     -2.03964059     -0.04137957
  H     -1.40365488      5.00121162     -0.12905856
  H      3.82870184      2.63492777      2.18106312
  O      4.68585512      0.34650780     -0.78879819
  H     -1.21501628      3.47227342     -0.29456576
  H      2.68317303     -1.44245371      0.74150559
  O      0.36964051     -0.19099714     -1.07614652
  H      0.78588198     -1.99461926      2.30537736
  H      1.95608706     -1.21323426     -0.59754246
  O      1.30372784      3.12058972      4.13081331
  H     -0.53381952     -1.95187481      3.06946795
  H     -3.54637324      1.35723235      3.93448767
  O     -1.01874987      2.88649781      2.68903206
  H     -0.98912328     -2.19801536      0.79817450
  H     -2.22175595      1.72717953      3.22633454
  O      5.47048757      1.54608578      4.59341121
  H     -1.82780950     -2.87547613     -0.31337816
  H      0.05491629      1.63387984      1.73695782
  O      4.94438095      4.35386884      4.44024004
  H      4.07741208     -0.40102387     -0.64487514
  H      1.26247646      2.03455530      0.86388458
  O      2.88332768      3.62263370      6.31863750
  H      5.40700396      0.01818492     -1.31995252
  H     -1.04128088      1.37188087     -1.41124616
  O      2.27153437     -0.65704236      2.46676575
  H      0.43934577      0.33231796     -0.26101563
  H     -2.23124025      1.46570786     -0.45150228
  O      3.42527676      3.50435825      2.31608834
  H     -0.29021913     -0.87320169     -0.89199780
  H      3.81254992      0.34544078      2.19558789
  O      2.79268096     -1.50642505     -0.21527932
  H      1.69400256      3.38947106      4.97507092
  H      4.71991847      0.82412356      1.03659968
  O     -2.80682234      0.98591658      3.45926151
  H      1.99460025      3.24212370      3.46615685
  H      3.22330851      1.35546580     -1.54444283
  O      0.79451611      1.27466313      1.23377143
  H     -1.01945401      3.48479038      1.93190251
  H      1.72973757      1.06266300     -1.79326033
  O     -1.67192980      1.99502170     -1.04343627
  H     -0.25809831      3.09441082      3.25303187
  H     -2.54436402     -0.55778978      0.50170560
  O      4.51760330      0.96712038      1.96933827
  H      5.45831907      2.51169490      4.58273461
  H     -2.97397387      0.41106423      1.63258052
  O      2.38833937      1.76700307     -1.80096840
  H      5.30118941      1.26813330      3.68471489
  H     -1.63252449     -0.29071034      4.22075243
  O     -2.95667171      0.29723523      0.67570479
  H      4.41524361      4.18358834      3.64229473
  H     -0.19475136     -0.47829812      4.77139829
  O     -0.98554906     -0.95471654      4.48911385
  H      5.45081259      5.14412899      4.27100508
  H      1.37501035      1.30917609      4.61081027
  O      1.51644595      0.39976214      4.90683711
  H      3.62928942      3.97990700      5.81979763
  H      2.21583195      0.44179877      5.57116083
          69
 Energy    -248.43379614458348     
  O     15.62583219     11.45599067    -15.74206625
  H     14.89704133     11.41017426    -15.11425791
  H     14.09636860      4.40238134    -17.39303525
  O     14.07436256      6.34802222    -14.77385018
  H     15.46234759     10.74946418    -16.38556328
  H     19.01976054      6.03818753    -14.20148187
  O     18.82649392      7.84641710    -11.69502919
  H     13.94841609      6.29060468    -13.81879207
  H     17.73284589      5.50960661    -13.50319864
  O     18.52603801      7.04237192    -18.12520753
  H     14.88211316      6.87586449    -14.88201282
  H     16.65437202      8.42162544    -14.34626315
  O     15.73980738      7.11951141    -18.94024256
  H     18.16771855      7.13892589    -11.78131733
  H     17.07728847      7.05032355    -14.92929345
  O     15.13279038      8.97895361     -9.32225381
  H     19.51176303      7.67111158    -12.35207757
  H     12.55481695     11.49106144    -14.04453312
  O     14.26788564      6.74921753    -12.02462552
  H     18.25217567      6.19939033    -17.72058565
  H     13.08388894     10.15390944    -14.61346389
  O     17.22385373      9.63851504    -13.07351203
  H     19.13395371      6.82121996    -18.82735774
  H     15.85867231      5.82251513     -9.07240675
  O     17.59219123      4.79254334    -16.93665921
  H     16.68833165      7.12450576    -18.75904389
  H     17.22105210      6.53026592     -8.97761596
  O     14.05914066      6.49449650     -9.21048510
  H     15.37340340      6.39604942    -18.41674236
  H     13.06473313      7.90062598    -15.33303596
  O     19.53973634      8.65993064    -15.98905448
  H     16.09057447      8.89131975     -9.24416388
  H     13.57870251      8.94178462    -16.33226995
  O     14.74958364      5.04580660    -17.12760407
  H     14.95402853      9.30488194    -10.21522498
  H     21.36772362      7.02602281    -14.02948889
  O     18.17026718      5.60969810    -14.36052938
  H     14.35610119      7.71284095    -12.07099587
  H     20.17085500      7.78708679    -14.65331723
  O     16.42659726      7.75821698    -15.00923199
  H     14.06534605      6.53646548    -11.10558099
  H     16.96878274      5.59069516    -10.96913235
  O     13.31323972     10.91296378    -14.04690784
  H     17.87849683      9.12786655    -12.58023901
  H     16.02263062      6.13588703    -12.06087688
  O     16.80943977      5.67870149     -9.16852057
  H     17.68144464     10.21795057    -13.69557032
  H     18.60213620      8.73716376     -8.54857598
  O     12.89039460      8.78724447    -15.66947813
  H     17.81049725      4.90854663    -16.00088852
  H     18.35589048      8.25522468     -9.99388639
  O     20.44933039      7.24229679    -13.89378413
  H     16.62936192      4.75565266    -16.98990456
  H     15.32644238      8.55860437    -17.92524513
  O     16.92600732      5.83067023    -11.90607253
  H     13.34691677      6.42069741     -8.58137345
  H     15.72460582      8.66930713    -16.44163701
  O     17.93821864      8.36554352     -9.12477429
  H     14.37985445      7.41451925     -9.16899840
  H     15.59976348      9.62833232    -12.37049226
  O     15.24267428      9.12509486    -17.14755942
  H     19.05801001      9.48359365    -15.85287207
  H     14.13499921     10.03972812    -12.64104385
  O     14.69210547      9.51934318    -12.04970039
  H     19.13327071      8.20329277    -16.73640610
  H     18.71722828     11.93783233    -15.30856498
  O     18.24268237     11.11768586    -15.20238921
  H     14.42965661      5.43492766    -16.29802365
  H     17.31310139     11.30159901    -15.43177433
          69
 Energy    -248.43361025048830     
  O      9.99699814      9.49524494    -11.66542600
  H     10.02934547      8.54862637    -11.43572830
  H     16.84838933     11.51284641    -13.78781196
  O     13.98781376      7.44234542    -15.21024708
  H      9.33592456      9.89421759    -11.10686064
  H     15.16767179      8.11164337    -13.89091204
  O     17.64700522      9.56332731    -10.17874450
  H     13.52946470      8.29183956    -15.27393292
  H     15.68057989      8.94858717    -12.67199136
  O     12.71673593      9.83681054    -14.82346764
  H     14.67704846      7.38647123    -15.88177569
  H     11.27668838      6.74169227    -11.16037144
  O     15.27617332      5.36980961    -10.41286445
  H     17.80646453     10.11838542     -9.41915278
  H     10.12419630      6.41542724    -12.12463834
  O     12.81287373      5.38770614    -13.87176257
  H     16.81721204      9.87317004    -10.57844901
  H     18.70460342      6.19476464    -13.21906255
  O     15.36336929     10.34434790    -11.47331718
  H     12.81836617      9.83025582    -13.86072274
  H     20.08949740      5.72619389    -12.71928302
  O     16.56156383      9.89279019    -16.69932395
  H     13.29031171     10.52370037    -15.18619979
  H      9.32501539      5.62777465    -14.48701173
  O     15.34779000      4.35957724    -13.10926198
  H     16.11070061      5.87058382    -10.38618238
  H     10.08750891      6.95097554    -14.24123997
  O     17.94394837     10.08032320    -14.31938471
  H     15.26834697      4.81161643     -9.63963190
  H     19.64831520      8.27653664    -12.39057509
  O     16.36786942      7.01645050    -16.68721983
  H     13.20897992      6.07762104    -14.42832231
  H     19.01463821      9.39692329    -11.54490068
  O     16.05705281     12.00269164    -13.52185892
  H     11.85689189      5.45592773    -13.98122399
  H     16.60680420      5.35711278    -13.88407955
  O     15.94949301      8.34803622    -13.37629514
  H     15.57088920     11.02999922    -12.12903810
  H     16.83573423      6.88513771    -13.80106229
  O     10.31991452      6.82591280    -11.27287068
  H     14.41344538     10.17573656    -11.51703913
  H     18.26408952      6.55634814    -11.05201558
  O     19.40266355      6.37052904    -12.56713881
  H     17.20628105     10.03860274    -15.99054463
  H     17.60772763      7.69389344    -10.24109492
  O     10.06311136      6.00379065    -14.01490765
  H     16.53099896      8.93836660    -16.82442389
  H     15.26039632     10.98200271    -16.28514586
  O     19.60203010      9.23562419    -12.29375707
  H     14.44964540      4.52897338    -13.42232646
  H     14.46378605     12.26578813    -16.61638735
  O     17.19142814      6.06856315    -14.18797978
  H     15.34575669      4.59809962    -12.17370230
  H     13.02895145      6.30685703    -12.32157975
  O     17.59565402      6.73892413    -10.38136633
  H     17.23704831      9.46964009    -14.06196166
  H     13.86108435      6.39065825    -11.02209525
  O     14.56945099     11.58515227    -15.95664781
  H     18.67126146      9.89579069    -13.71051574
  H     11.86218155      9.66491313    -11.82523776
  O     13.13392624      6.80738886    -11.49946138
  H     16.55803686      6.40826041    -17.39755125
  H     12.95342992      8.56561196    -11.83332162
  O     12.79295794      9.50352752    -12.02120672
  H     16.75109322      6.63104601    -15.88233283
  H      9.98432862      9.07574249    -13.55278991
  O     10.16409411      8.69387760    -14.42106983
  H     15.48835243     12.00511902    -14.30005401
  H     10.97463176      9.12003122    -14.72809101
          69
 Energy    -248.43360729244898     
  O     19.68821951     11.12234326    -10.63334971
  H     19.30183306     11.03639061     -9.74818476
  H     18.47890967     11.30382509    -12.01053191
  O     18.86276285      6.99102240     -9.36797980
  H     20.64430050     11.19251399    -10.53068118
  H     22.46491373     10.00707781     -9.92297772
  O     20.07907447      4.31340049    -11.71902030
  H     18.36707012      6.26096077     -9.76411314
  H     23.17628767     11.37129500    -10.06456702
  O     20.59485325      5.68454133    -14.20813318
  H     19.14812936      7.55599897    -10.10694297
  H     19.08173585      8.07986628    -13.16638983
  O     22.29380368      8.53093855     -8.97072314
  H     20.19416057      4.65896793    -12.61220446
  H     19.24299189      8.72433409    -14.54852026
  O     17.45795268      5.21273635    -10.92128674
  H     19.15584383      4.47218261    -11.48456372
  H     21.17979112      5.22287559    -10.59086925
  O     22.08869689      7.30058195    -12.41995968
  H     19.98152269      6.43409856    -14.28938153
  H     20.71645668      6.28914241     -9.62114178
  O     20.05394636      8.29038746     -7.23142383
  H     20.71926277      5.33035840    -15.08501700
  H     14.94646155      6.22499312    -12.85903522
  O     14.32659326      7.28788783     -9.12900076
  H     22.31533535      7.62178293     -9.28815884
  H     13.65896458      6.82000584    -12.27675270
  O     19.66081025      8.46442750    -11.48568690
  H     21.62268556      8.54479215     -8.27622837
  H     16.60328734     10.05198548    -12.14142481
  O     18.57366718     10.57400056     -8.19607499
  H     17.23950206      5.81754659    -11.64591973
  H     16.26988878      9.28628792    -10.81493822
  O     17.89929145     11.11423948    -12.76257111
  H     16.61372338      4.87879297    -10.59494041
  H     16.42214992      7.81877045    -12.50931112
  O     22.48338065     10.83270155    -10.43794941
  H     22.06570716      6.80742897    -11.58899369
  H     17.35648070      7.19954571    -13.56697048
  O     18.98656868      7.90097664    -14.11614497
  H     21.72413705      6.71042250    -13.09212838
  H     22.31612955     10.40392800    -12.29621699
  O     21.51612618      5.94159880    -10.03168557
  H     19.94959340      7.84277473     -6.39478951
  H     22.29662840      9.05296278    -13.01838259
  O     14.07288756      5.98250379    -12.52120254
  H     19.56928810      7.76679287     -7.89052494
  H     17.33535990      8.10778383     -9.14449676
  O     16.00580465      9.40585953    -11.73787706
  H     14.46013385      6.36735881     -9.38450732
  H     15.80311494      8.27055890     -8.96969359
  O     16.66277758      6.98172367    -12.93414220
  H     13.85770694      7.70154425     -9.86480739
  H     14.26612873      8.97018395    -11.67127044
  O     22.13508486      9.99696321    -13.15171734
  H     19.66456935      9.40411492    -11.25856551
  H     12.74980931      9.26454979    -11.68088207
  O     16.62898879      8.76202555     -9.09588580
  H     20.55408881      8.21118424    -11.75272330
  H     20.19033141     11.01268315    -15.45459488
  O     13.38932612      8.57224399    -11.53509616
  H     17.76120069     10.09566242     -8.41336420
  H     20.73946577     10.33844230    -14.17707081
  O     19.94453384     10.44424424    -14.72972114
  H     19.12054611      9.94352764     -7.71391367
  H     14.45691245      5.04580642    -11.08717527
  O     14.77346215      4.66124755    -10.24946275
  H     18.49347495     10.95467761    -13.50338425
  H     14.25750245      3.87440340    -10.09512960
          69
 Energy    -248.43358840494056     
  O     -0.87409548      3.75585975      2.55423601
  H     -0.26129022      3.03305052      2.36402035
  H     -0.54445939      8.47312797      0.73185757
  O     -2.80595724      5.94947873     -0.42824898
  H     -1.67364501      3.59075647      2.03450359
  H      1.68732763      2.29416762      1.19480730
  O      4.17660272      6.28674329      0.46420853
  H     -2.66344144      6.58383505      0.28490833
  H      0.33165035      1.64035664      0.91264856
  O      2.15056115      7.44589082      1.88331317
  H     -1.98933730      5.94629483     -0.94959456
  H     -0.18772817      4.24561988     -2.40728578
  O     -0.35350114      5.81781175     -1.67331939
  H      4.03344843      5.33896390      0.54232410
  H     -0.81201051      3.13223684     -3.28519531
  O      2.87759454      3.65365066      0.43626618
  H      3.96820627      6.48524700     -0.46214855
  H      0.87999863      8.97616863     -2.77600163
  O      0.70565166      5.31377094      0.77769413
  H      2.18233064      7.12465502      2.79169666
  H      0.71181486      8.47530576     -1.32035269
  O     -2.05783314      7.71598814      1.66364450
  H      2.95224457      7.13853284      1.43084262
  H     -2.85990904      1.38966894     -2.85432813
  O     -0.87989858      1.81144655     -0.49764837
  H      0.04768931      5.65626571     -0.80340325
  H     -2.24499059      0.92620137     -1.52521735
  O     -0.80743880      6.29099468      3.62735429
  H      0.01931840      6.64274966     -2.00737789
  H      2.09559435      2.89518801      3.27614507
  O     -2.87526330      3.41195794      0.70176155
  H      2.12396025      4.25842752      0.54216462
  H      3.03648874      3.70286042      2.40189317
  O      0.28096744      8.76412067      0.32852555
  H      2.96079171      3.51475671     -0.51472097
  H     -3.81127377      5.03792383     -1.78441156
  O      0.94782331      1.85151716      1.62922312
  H      1.10479665      6.09354453      1.18673895
  H     -4.58008571      3.70306845     -1.84444859
  O     -0.05182686      3.33908542     -2.72821078
  H      0.14492529      4.87702628      1.43008263
  H     -2.80594320      2.96713566     -4.91483622
  O      0.92777201      8.19682293     -2.22963180
  H     -2.63924131      8.34380011      2.08664772
  H     -3.08600688      3.48421668     -3.48424530
  O     -3.02793037      0.83256264     -2.08390945
  H     -1.61010283      7.23275047      2.38020226
  H      3.17519960      3.16875420     -3.07282791
  O      2.68786219      3.65176080      3.30082523
  H     -0.51250605      2.30650100     -1.24199028
  H      1.73676210      3.43837383     -2.58070438
  O     -4.14327540      4.36672760     -2.39337089
  H     -1.55241136      2.37917713     -0.09436594
  H      2.42311268      6.22991612      5.18617270
  O     -2.51010277      2.90093313     -4.01074009
  H      0.08776526      6.34775988      3.97877680
  H      2.23411174      5.22416495      4.03039512
  O      2.67339118      3.60749838     -2.38932900
  H     -0.93533420      5.35469974      3.41537134
  H     -5.75218538      1.67172784     -0.55590496
  O      1.97830030      6.10534516      4.35152775
  H     -2.87732662      4.30519721      0.32800045
  H     -4.34815671      1.59825801     -1.20602586
  O     -4.96259288      2.17883846     -0.72193539
  H     -3.66778452      2.97016603      0.37516573
  H      2.96801005      5.59409340     -2.31608074
  O      3.25703745      6.49540871     -2.13624326
  H      0.98628705      8.46438474      0.92045401
  H      2.48422709      7.06503328     -2.22982320
          69
 Energy    -248.43356804442593     
  O     13.80646623     11.50820536     -8.40693508
  H     13.60243027     11.37137023     -7.48503227
  H     16.98805569     12.46940663    -16.62004358
  O     10.73373782     11.22066755    -14.68669000
  H     12.96318838     11.68430989     -8.85616967
  H     13.35086947     14.53784006    -11.21612085
  O     14.42626249      9.48119916    -10.34734343
  H     10.74374890     12.06760876    -14.21503269
  H     13.30450522     13.21508704    -12.02563126
  O     11.57768583     11.90594607     -9.96854038
  H     10.88087292     11.42003285    -15.61984175
  H     11.48980967     14.29473784    -14.95692352
  O     11.77822717      9.50148238    -11.43233073
  H     13.52270910      9.31468159    -10.64102944
  H     11.84289745     13.65950547    -16.31489093
  O     12.99042037      9.83535503    -13.85763657
  H     14.34749943     10.12663419     -9.63476777
  H     15.15154217     12.05378395    -12.58896955
  O     14.81943541     15.56215971    -10.71910541
  H     11.95692748     12.63098619    -10.48947415
  H     13.96872577     11.25409597    -13.26994801
  O      9.28170338      9.79624188    -12.79327045
  H     11.66076527     11.09538771    -10.49168551
  H     11.14418848     12.01490326    -18.13205587
  O     14.68423630     13.96111264    -14.96936575
  H     10.85819601      9.42493472    -11.71007524
  H     12.38274918     11.58965213    -17.30732343
  O     13.93218842     10.81796894    -17.29808662
  H     12.28081424      9.55375737    -12.26056231
  H     15.84503886      9.42839722    -11.37823278
  O     10.66041451     13.64145232    -13.33411294
  H     13.37214623      9.27021317    -14.53825144
  H     17.23688288      8.78514683    -11.55846195
  O     16.24439264     12.07742440    -16.16859155
  H     12.23482783     10.30393359    -14.24185053
  H     16.46546000     10.47403423    -15.10063841
  O     12.75710251     13.84915835    -11.53522532
  H     14.92388027     16.47956215    -10.48275630
  H     16.52674351      9.58666796    -13.81397998
  O     12.06815717     14.38835002    -15.72450620
  H     15.38660354     15.40557015    -11.49595383
  H     14.44096531      7.47449914    -16.10362648
  O     14.27271523     12.12366370    -12.98471541
  H      9.72134206     10.23763687    -13.53926882
  H     15.12889836      8.72529461    -15.49671267
  O     11.49911168     11.99522975    -17.24749436
  H      8.58387393      9.26191663    -13.16423774
  H     16.56518591     12.52331113    -10.98039803
  O     16.65115732      9.44385468    -11.92371031
  H     14.49548219     13.31043816    -14.27449613
  H     16.97338760     11.29282237    -11.84549451
  O     16.43102625      9.56653255    -14.77354620
  H     13.82372281     14.24710127    -15.30446941
  H      9.79064453     12.25040768    -10.76198888
  O     14.29341133      8.38648808    -15.87139978
  H     14.73149385     11.27500292    -17.00996502
  H      8.99333255     11.45709705    -11.80654574
  O     16.81796980     12.24341103    -11.87640430
  H     14.00111941      9.92407180    -16.94141228
  H     15.82604916     14.73691751    -13.67085742
  O      9.10261397     12.33980752    -11.43311870
  H      9.96093471     13.33405130    -12.73993408
  H     16.69021300     14.00589938    -12.61831322
  O     16.34089126     14.87315091    -12.86476746
  H     11.40690565     13.85215530    -12.75557445
  H     15.46665264     14.02092338     -9.75016051
  O     15.84843175     13.16954781     -9.50340175
  H     15.73472038     12.81163578    -15.78633329
  H     15.14817559     12.66211361     -9.07578539
          69
 Energy    -248.43351396148773     
  O     15.68095070     10.32868361    -16.12620629
  H     15.49045996     10.73444128    -16.96794154
  H     12.62132284      9.72414592    -14.66697956
  O     18.21787244      8.85930138    -13.21321361
  H     14.84186919     10.29025823    -15.63467214
  H     16.41673604      9.35652831    -10.47896110
  O     15.39628736     10.76538741    -10.04712185
  H     18.97753746      8.27803726    -13.08089689
  H     17.37551939      8.76178619    -11.58953015
  O     11.07930234      8.78024113    -14.65403869
  H     17.69815693      8.47036910    -13.93136693
  H     13.87655324      8.28990389    -11.92348136
  O     17.80483566      3.53393906    -13.84570778
  H     15.58182572     11.49901415    -10.64833908
  H     15.37931070      8.61724066    -12.02343336
  O     11.91180934      6.50970747    -13.30080341
  H     14.44061256     10.64961262    -10.06560363
  H     12.93301536      4.67502016    -10.89115860
  O     16.21190479      5.86278283    -10.57493066
  H     10.22371576      8.71280116    -15.07049803
  H     13.56999645      4.18540171    -12.19370377
  O     12.44229662     10.58316231    -10.42700757
  H     11.22405712      7.93442211    -14.20211925
  H     19.67249589      6.21449956    -12.33069468
  O     18.70119571      5.76052626    -15.11997004
  H     18.12216884      2.74756076    -14.28095766
  H     21.05987172      6.82639727    -12.64125012
  O     15.82792155     12.78130769    -12.00538551
  H     18.10559418      4.29204955    -14.37829457
  H     14.59576662      7.24457218    -13.73093438
  O     13.12829380     12.11622190    -12.55069616
  H     12.71618078      6.52686581    -13.83834852
  H     14.81721703      5.72282338    -13.92763137
  O     13.48410997     10.13781633    -14.52335963
  H     11.98739660      5.69698761    -12.77924349
  H     17.64885262     10.58233836    -13.61061414
  O     16.77866368      8.54249047    -10.86094218
  H     16.43235843      6.80551260    -10.61905549
  H     16.70094456     11.11173658    -14.70379651
  O     14.56883524      8.55516352    -12.54158254
  H     15.39744161      5.79102691    -10.06312299
  H     16.45916660      8.63811991    -15.78493003
  O     12.71518483      4.35591021    -11.77428465
  H     11.91138874     11.10764089     -9.83279161
  H     15.98109881      7.30068533    -15.16710468
  O     20.13942442      6.86536118    -12.88556775
  H     12.61910358     11.14184331    -11.20460873
  H     18.45408883      4.35764761    -12.22296402
  O     14.53009909      6.52797387    -14.38267072
  H     19.30494651      6.16126425    -14.48235485
  H     17.91964857      5.23089043    -11.06818884
  O     17.14513611     11.36001470    -13.88488234
  H     18.07511989      6.45328497    -15.36743777
  H     16.13001021      3.98658478    -13.19811825
  O     16.77049705      7.81251865    -15.39516068
  H     16.26488935     13.62218063    -11.90092598
  H     15.67263706      4.92327794    -12.04875567
  O     18.72577822      4.98168261    -11.53850070
  H     16.32091918     12.29321324    -12.68899369
  H     13.30482795      5.77963892     -8.52322551
  O     15.35660764      4.41210143    -12.80875372
  H     13.18199285     11.55717030    -13.33665976
  H     13.19844086      6.56899902     -9.84836187
  O     13.62345153      5.80521194     -9.42203835
  H     14.02162445     12.45206432    -12.40091046
  H     12.06280356      7.52315368    -11.67111246
  O     12.45962778      7.83886785    -10.84805911
  H     13.91319981      9.64803033    -13.80459531
  H     12.29433960      8.78543812    -10.73471918
          69
 Energy    -248.43343162691866     
  O     16.50067794     10.04796876    -15.52318148
  H     16.37195672     10.97539533    -15.75523698
  H     11.55900500     10.70235931    -10.37868175
  O     14.86600224      6.91296842     -9.79879940
  H     17.43692117      9.90750453    -15.31890248
  H     19.94078983      6.13005652    -14.36677541
  O     15.97514605     12.77726783    -15.92693435
  H     14.88749787      7.85566348     -9.55112247
  H     20.88178507      5.22618118    -13.53353970
  O     12.64319334      7.45498847    -11.51899168
  H     14.94366163      6.41161812     -8.99211541
  H     15.92903799      6.96341048    -11.29150192
  O     14.96274823      7.73871759    -15.86605062
  H     15.25365968     12.87511480    -15.27853415
  H     16.58544528      6.37510278    -12.59636219
  O     19.06038266      9.53245135    -14.63574814
  H     15.72337623     13.27536440    -16.69964718
  H     19.37425653      7.91824415    -15.58591727
  O     20.05906489     11.93429695    -13.58857739
  H     13.36106026      7.11048256    -10.97488025
  H     18.58211579      6.66981914    -16.05562253
  O     19.03592384      8.03963366    -12.25816881
  H     12.41083737      8.30421122    -11.12398340
  H     16.13703584     12.72006708    -11.34147001
  O     12.58582602      7.88892129    -14.21915505
  H     15.42680041      8.58627926    -15.81952800
  H     15.83236178     14.21161642    -11.07205984
  O     14.14130424     12.98384493    -13.95519854
  H     14.19764516      7.79930630    -15.28443234
  H     16.15521422      6.52851594    -16.13167766
  O     13.09795586     10.47591015    -13.23034502
  H     19.00307927      9.01686909    -13.81798542
  H     16.63296199      5.36112111    -17.02425734
  O     12.32101022     10.17827599    -10.61183878
  H     19.49216384     10.36124482    -14.39424400
  H     15.85671109      8.76344907    -12.68604260
  O     20.06665207      5.71798049    -13.49229292
  H     20.82421462     12.48523285    -13.72892897
  H     15.99893285      9.84055779    -13.81304976
  O     16.40019841      7.18756133    -12.10251344
  H     19.27776496     12.50825229    -13.68360087
  H     17.21611334     13.54526034    -13.12479817
  O     19.46357710      6.98396592    -15.81458245
  H     18.11834479      7.77027729    -12.10884777
  H     17.27301100     13.26540023    -14.63830245
  O     15.87394428     13.55610990    -11.76351156
  H     19.50859627      7.24803385    -12.54298243
  H     17.59099958     10.99818316    -10.78828531
  O     16.87054713      5.88026773    -16.26063374
  H     12.64560372      7.64083442    -13.27971669
  H     16.30061720     10.62449873    -11.56400073
  O     15.67241059      9.68530373    -12.91734870
  H     11.84058129      7.41250639    -14.57677642
  H     19.31245744      9.68163938    -11.39935161
  O     17.82489021     13.42615785    -13.86330392
  H     14.63517768     13.22309199    -13.16011157
  H     19.64347280     11.10206296    -11.88896727
  O     16.63149114     11.12738625    -10.80324620
  H     13.65208668     12.17801363    -13.74446412
  H     15.47730885     10.15198724     -9.69250260
  O     19.30336567     10.61111943    -11.13171098
  H     12.73838440      9.72596173    -13.71859551
  H     13.95421991      9.87914394     -9.66974796
  O     14.79932948      9.57667616     -9.31454277
  H     14.02421453     10.23436537    -13.05924874
  H     17.07914495      5.23861058    -14.50064572
  O     17.26050404      5.05325720    -13.56976269
  H     12.53904514     10.39491389    -11.53375394
  H     18.21899022      5.11457757    -13.47401369
          69
 Energy    -248.43306226430468     
  O     10.42844988     11.17751561    -10.50573800
  H     11.21276764     11.36636427     -9.96026690
  H     13.13435490     12.44974446     -9.22797471
  O     14.57845702     10.35812787    -12.64793494
  H      9.67345158     11.24372800     -9.92664664
  H     14.23914122     13.61217901    -13.70931605
  O     17.18498894     12.65904189    -14.39709535
  H     15.52512105     10.53450727    -12.57463573
  H     14.18766746     14.67260852    -14.83966652
  O     15.45022102      6.98778221    -12.82179764
  H     14.35635493      9.66662770    -12.01122945
  H     16.85855740     11.56037368    -17.69420421
  O     10.76594372     11.98733534    -13.18608987
  H     17.14180672     12.18611773    -15.23567819
  H     15.63636279     11.47465524    -16.75691073
  O     12.82940445     15.68753187    -15.47100060
  H     16.41127737     13.24021768    -14.39233695
  H     14.25698001     14.71406859    -10.03840873
  O     13.93082833     11.91864156    -16.27951636
  H     16.31410453      7.41390793    -12.89049220
  H     13.88544928     13.49104915    -10.90915808
  O     14.71062390      9.72708417     -8.76750231
  H     15.12723286      6.91507072    -13.72693219
  H     17.40059260      8.59857863    -15.02481789
  O     13.32660826     12.76509929    -12.41000052
  H     10.71194581     11.12520656    -13.62087318
  H     16.91031507      9.49538586    -16.20085827
  O     13.42073683      9.51545432    -14.96602411
  H     10.54294108     11.82144134    -12.25991637
  H     15.71840404     12.54978017     -9.91882161
  O     17.91036329      8.43110771    -13.21187033
  H     12.22452172     14.93207174    -15.56475949
  H     15.85647256     11.08215486     -9.48193920
  O     12.63149050     11.65581641     -9.00795969
  H     12.56107162     16.32207287    -16.12992853
  H     10.25852160      9.08262473    -15.05890702
  O     14.71468801     13.94328342    -14.48418238
  H     13.72936017     11.09007527    -15.82082110
  H     11.70844575      9.42104027    -14.63108828
  O     16.57457152     11.24037891    -16.84078648
  H     14.20409927     12.57920590    -15.62462328
  H     14.68224914      6.42984735    -16.23470910
  O     14.22856755     13.76091953    -10.03945192
  H     14.92809701      9.16698836     -8.02681490
  H     15.57061972      7.62050845    -15.79335621
  O     16.98329010      8.58291697    -15.89569482
  H     14.46022334      9.13758805     -9.50014697
  H     11.09024913      8.79102498    -12.54611315
  O     16.32472480     11.79983774     -9.92668199
  H     12.41841030     12.60395272    -12.69281365
  H     10.99319651      9.47525882    -11.17630635
  O     10.78107592      9.42302516    -14.33760589
  H     13.77777858     11.90712954    -12.43389956
  H     17.33558572     11.59984895    -12.99488420
  O     14.73155215      7.15422639    -15.61765608
  H     13.86365471      9.78600495    -14.14658947
  H     17.07090688     11.28721781    -11.46161498
  O     11.33740598      8.69002552    -11.61980971
  H     13.82001801      8.68393012    -15.25089763
  H     12.13324309     12.75939597    -15.99857006
  O     17.27925867     10.90093707    -12.32489356
  H     17.74694373      9.31871168    -12.84757903
  H     11.10921680     12.92956190    -14.84753730
  O     11.41988028     13.32123113    -15.67268734
  H     18.77782646      8.16871645    -12.91466161
  H     13.00855066      8.28773562    -11.15254908
  O     13.95014427      8.26980885    -10.92245806
  H     13.28809357     10.96882024     -8.84048864
  H     14.42527443      7.69193517    -11.53799437
          69
 Energy    -248.43298693044591     
  O     16.64776804      9.77270400    -11.58405267
  H     17.50579722      9.35919305    -11.75874536
  H     13.03924263      9.54171255    -10.01703588
  O     14.77967746      4.75943855     -7.09699322
  H     16.77800913     10.71453782    -11.42560186
  H     12.46776078      7.51002166     -7.37562928
  O     17.01715876     12.42613342    -10.85014799
  H     14.92854159      4.05071362     -6.47765105
  H     11.94841331      8.54137382     -6.34381583
  O     12.35432035      5.95513665     -8.06914553
  H     14.92496770      5.59383090     -6.61402548
  H     16.44970216      4.75670661    -12.72648582
  O     15.02135599      8.11755532    -13.02249411
  H     17.80586841     12.21596625    -10.31564570
  H     17.32905929      3.68277796    -13.40596733
  O     18.92747426      8.29115221    -11.96627890
  H     17.19147253     13.25207854    -11.29220794
  H     15.75662074      6.64370794     -9.40453445
  O     20.63808882      9.40547893     -9.99429840
  H     12.31936849      5.91180626     -9.03600085
  H     15.55256439      5.27796270     -8.67276531
  O     18.36698674      5.84973915    -10.67667148
  H     13.08501152      5.39388045     -7.78727846
  H     17.45537790      6.25704523    -13.94578623
  O     12.37491234      6.04124085    -10.83752460
  H     15.69553755      7.78471824    -13.63200168
  H     18.00881466      7.64730212    -13.61105792
  O     15.37900010     11.83460417     -8.56207341
  H     15.49265099      8.78411143    -12.49935331
  H     17.46642262     11.83349757     -6.17432857
  O     12.65717450      8.76908307    -11.72816864
  H     18.73187727      7.45752769    -11.51320859
  H     16.67639887     11.46474702     -7.45291677
  O     13.40846413      9.89046567     -9.19629056
  H     19.60924071      8.72706062    -11.44079685
  H     14.89900617      8.86326698     -9.23603915
  O     12.63194540      8.39199873     -6.99179616
  H     21.58999856      9.38482517     -9.94084958
  H     16.14726952      8.86920865    -10.13711757
  O     17.35466255      4.55451224    -13.01991306
  H     20.30837844      8.68804570     -9.42226698
  H     18.66266894     11.47399314     -8.41375368
  O     15.89740310      5.68653059     -9.47462488
  H     17.54179528      5.75633741    -10.17697494
  H     19.62331279     10.90244820     -9.49463930
  O     17.36885073      7.19133075    -14.17142194
  H     18.24368962      5.31077982    -11.46688972
  H     14.35590560      7.74694081     -6.26149403
  O     17.47119643     11.25223696     -6.93021246
  H     13.11387856      5.65080376    -11.31766174
  H     15.90855328      7.65786506     -6.26646937
  O     15.73186409      8.40415274     -9.39863054
  H     12.34897184      6.96371668    -11.11769765
  H     15.21629753      5.47019493    -11.10791389
  O     19.05508111     11.65156388     -9.27762932
  H     14.63977409     11.25763812     -8.79209887
  H     14.94016950      6.36358077    -12.35170841
  O     15.10311818      7.20385906     -5.98535416
  H     15.78670404     12.10975272     -9.39217236
  H     18.83242382      7.66059899     -7.99425392
  O     14.93222443      5.44934055    -12.03569131
  H     13.44508315      8.55173734    -12.25333951
  H     19.22532187      6.73234523     -9.17992816
  O     19.56670015      7.38918570     -8.56113951
  H     12.01977057      9.13328015    -12.33900784
  H     17.46584159      9.39776503     -6.95944444
  O     17.33848756      8.46447053     -7.17186694
  H     13.01429850      9.41647049     -8.44966988
  H     16.79228451      8.45066214     -7.97328661
          69
 Energy    -248.43298249396736     
  O      0.72904057     -0.04633932      2.37743440
  H      0.84534455     -0.42809742      1.49985500
  H     -3.04341482      4.64070567     -0.14263945
  O     -2.18097463      0.02029293     -3.26835568
  H      1.06537351      0.85944571      2.37052632
  H     -2.42233851      0.42259667      5.59862702
  O     -0.01455724     -1.38964653      4.76370157
  H     -1.51937603      0.42741203     -2.68300607
  H     -1.81069664      0.70716160      6.98983102
  O     -4.27690094     -0.42587816     -1.37981020
  H     -2.01954540      0.36278044     -4.14381697
  H     -0.65821299      3.68288717      0.24200467
  O     -1.27837309     -2.49530260     -2.16994271
  H      0.36463995     -0.95785526      3.98708777
  H      0.59719738      3.09306172      0.91879130
  O      0.27607875     -1.42587364     -0.11298366
  H     -0.46351447     -0.70263284      5.27137504
  H     -1.95629359      1.30734069     -0.43694104
  O     -3.19928190      3.44348201      3.16907199
  H     -4.00617075     -1.29144146     -1.03660867
  H     -3.43218369      0.84811755     -0.40720857
  O     -4.15750270     -2.68742073      3.98342723
  H     -3.72201755     -0.25794558     -2.15127579
  H     -2.37713075      0.60236982      1.56690263
  O      1.30050086      2.67660631      2.59499278
  H     -2.04783031     -2.80749029     -1.67858697
  H     -1.12517259      0.17961328      2.40291433
  O     -5.50802393      1.69161986      2.99396414
  H     -1.59442954     -1.74970739     -2.69384415
  H     -4.28051686     -3.03792344      0.24064480
  O     -3.73797283      0.06423037      4.44894167
  H     -0.25245971     -1.85973472      0.57289188
  H     -2.76909674     -2.82998706      0.33117019
  O     -2.55074175      4.11881486      0.48600635
  H     -0.04657347     -1.83567551     -0.92939916
  H     -1.63800662      2.97657674      3.92186273
  O     -1.58916565      0.59693607      6.06857337
  H     -3.01421083      3.80526973      2.29358650
  H     -0.97653300      2.03053191      4.94938289
  O      0.16499834      3.21319337      0.06365808
  H     -3.97660716      2.88197858      3.07207993
  H     -0.07979096      1.76935522     -0.93968013
  O     -2.80328015      1.44955599      0.01044357
  H     -4.08895123     -1.76304215      4.25592931
  H     -0.09790895      0.19402552     -0.89565632
  O     -2.07816605      0.05502975      2.30367143
  H     -3.28684663     -3.07526732      4.13151383
  H     -0.91446765     -2.83881682      4.47335715
  O     -3.50007405     -2.87687401     -0.30381917
  H      2.03624674      3.13637165      2.98954789
  H     -1.05849806     -4.37231141      4.62630484
  O     -0.78238612      2.68531775      4.27142365
  H      0.55864482      2.73100853      3.22740666
  H     -1.48291557     -3.07369428      2.43716426
  O     -0.43966221      0.97201567     -1.35783670
  H     -6.37346724      2.06146214      3.14956388
  H     -1.86314682     -1.67648316      1.88998393
  O     -1.45870295     -3.60753395      4.22228518
  H     -5.60777829      1.05854043      2.26157936
  H     -6.27688972     -3.53102858      1.82220526
  O     -1.56809679     -2.56177784      1.62560720
  H     -4.45989625      0.63067888      4.15386258
  H     -5.04619189     -2.88701141      2.49961688
  O     -5.54895883     -2.93487248      1.66682596
  H     -3.11497601      0.04320211      3.70203668
  H     -5.46751240     -0.16242119      0.11432390
  O     -5.80099070     -0.17031111      1.01889518
  H     -2.74764424      3.18522180      0.29123851
  H     -5.78541981     -1.09748155      1.28869460
          69
 Energy    -248.43261605387016     
  O      3.04222547     -1.10574258      2.88380892
  H      2.46560612     -1.81538308      2.57748194
  H      0.07095281     -1.06835083     -2.72284000
  O     -4.32851559     -0.85317525      0.97005411
  H      3.78915071     -1.05748574      2.27494979
  H     -3.40733089      4.30586447      0.00325646
  O      1.93891091      1.13051858      3.89966780
  H     -5.24353327     -0.97645324      1.20560458
  H     -2.78830138      2.98141107     -0.51031366
  O     -0.78408597     -2.67843956     -2.22690569
  H     -4.04103848     -0.04173922      1.42443301
  H      3.63380730      1.41584030     -2.86140157
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  H      2.31910976      1.30784892      4.75561048
  H      2.02305905      2.98726629     -1.97215519
  O     -2.56292569      1.86466368     -1.78283732
  H     -1.00474679     -3.39118453     -2.82041529
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  H      2.15823329     -2.96101884     -0.90179952
  O     -0.52069927      2.07539408     -3.75649830
  H     -3.33379527      2.21426038      1.51262484
  H      1.23639826     -3.41039526      0.24134059
  O      3.49873776     -1.67527365     -0.96182968
  H     -2.51581194      1.43938437      2.54676341
  H      1.64069952      2.90210819      1.22626055
  O     -0.48365327     -0.81822612      1.32095034
  H     -0.42089246      2.16220696      2.07936636
  H      2.32584143      2.02493774      2.30801027
  O      0.55117126     -0.23932359     -2.82823326
  H      0.18630810      1.41319829      3.29914981
  H      3.57114592     -0.83149348     -2.65283326
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  H     -1.93960216      1.98735898     -2.50708361
  H      2.35440518     -0.29456756     -3.40989337
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  H     -2.45467914      0.95396283     -1.47507731
  H      6.15279064     -0.88227366      1.27545099
  O      1.12543909      3.26379835     -1.75351595
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  H      5.11122942      0.11526238      0.71458045
  O      1.33063678     -3.42619704     -0.71866494
  H      0.55885858     -3.49913729      2.70609548
  H     -1.96632900     -1.51781082     -1.27416027
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  H     -0.14788894      1.21089802     -3.50838449
  H     -3.06366849     -0.93934223     -0.27922464
  O      3.31824047     -0.23775463     -3.37305869
  H     -0.53580808      2.10787027     -4.70914233
  H      4.51723517      1.90806437     -0.81696039
  O      5.22810042     -0.78727100      1.06460043
  H      4.21856193     -1.55334962     -0.33280639
  H      4.02866693      2.06077965      0.62988786
  O     -2.26429648     -0.73869308     -0.79166648
  H      2.83165591     -1.01443680     -0.71361287
  H      1.91047137      0.96233416      0.19370900
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  H     -0.59453981     -0.03589255      1.87754614
  H      0.87945380     -0.18683813      0.29778966
  O      1.56556545      0.19077347     -0.26802175
  H     -1.14833138     -0.77856370      0.62021575
  H     -1.00931910      3.56748969      0.59798814
  O     -0.07393136      3.36185196      0.71330552
  H      0.87118653      0.01537743     -1.94857031
  H      0.31181045      3.34179891     -0.17775240
          69
 Energy    -248.43252972504285     
  O     13.39473947      9.64756499    -16.12195477
  H     14.01059784      9.01278309    -16.50340856
  H     15.79500630      4.67730056    -15.60495835
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  H     20.33401447      7.45544622    -12.92793782
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  H     16.92825992      5.45508150    -13.91449922
  H     16.21383503     11.01197288    -17.16197892
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  H     18.56480791     10.86400798    -12.22084724
  H     17.58675436     10.32331414    -17.15982696
  O     15.44205661     10.33468267     -9.92468077
  H     18.01146081      9.87715385    -11.17984951
  H     17.62425858      8.95410063    -15.01177194
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  H     19.50070495      9.15033755    -16.11441423
  H     16.40467396      9.28333303    -14.12845092
  O     15.74130395     10.84734524    -13.44721155
  H     19.32012117     10.34148386    -15.13055951
  H     10.93563191      9.13803338    -14.20372820
  O     17.96268990      6.24497785    -16.92330128
  H     14.67704190      6.37350047    -16.53104028
  H     12.36300111      9.22341380    -14.79782146
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  H     18.77475290      7.61476734    -10.76397951
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  H     16.21955822     10.65969330    -10.39349007
  H     17.59039765      8.03081317     -9.85931707
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  H     14.75633077     10.20530691    -10.59443466
  H     13.61632085      6.45804048    -13.01516441
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  H     15.67023324      6.62826574    -12.17546007
  H     12.56634791      7.19714677    -13.86708929
  O     16.76259617     10.39360496    -17.66053911
  H     15.18724866      7.07706831    -10.77002379
  H     20.81947315     11.27384715    -13.27396487
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  H     16.47571193     10.88609771    -12.81746063
  H     20.30697174      9.81737860    -13.37718911
  O     11.85331952      8.97313682    -14.00594436
  H     14.99084912     10.43895058    -12.99215984
  H     19.66385134      5.34234391    -11.58369029
  O     18.36045637      8.36973250    -10.33110785
  H     17.20189327      6.79248424    -17.14652406
  H     18.57529331      6.12896197    -12.35639978
  O     13.08005431      6.38289173    -13.81379079
  H     17.61048127      5.49627423    -16.42629558
  H     13.03066507      9.38776522    -12.64374265
  O     20.03621340     10.75278040    -13.43228044
  H     15.67621367      8.70024008     -9.31670488
  H     14.17975021      8.60065450    -11.96205136
  O     19.40925555      6.21770841    -11.86290168
  H     15.59600598      7.59498768     -8.23699370
  H     15.36895432     11.60626271    -14.99500308
  O     13.80116112      9.48573539    -12.07070548
  H     20.94765396      7.21661881    -16.90206145
  H     14.93275226     12.84667072    -15.80890341
  O     15.09573209     11.90956245    -15.87814062
  H     19.47312628      6.98520318    -16.50135512
  H     15.95102008      8.08826666    -16.05723283
  O     15.62617765      7.99740687    -16.96696917
  H     16.57425439      3.35336123    -15.40634519
  H     15.96905372      8.77681804    -17.43066468
          69
 Energy    -248.43236767612626     
  O     15.66735760     10.42331844    -16.46555733
  H     14.81057511     10.59103515    -16.05553142
  H     20.40052426     10.28589067    -17.53277227
  O     16.23289504      4.87791575    -13.78174235
  H     15.51650732      9.80041902    -17.18925955
  H     16.35372479      8.33950617    -13.97574846
  O     17.39742137     13.31350213    -10.80042191
  H     15.35103708      5.26494091    -13.80460390
  H     16.51333359      9.15464497    -15.29829528
  O     19.65875485      8.74721684    -14.40357045
  H     16.66224222      5.12931006    -14.61076049
  H     13.69184133     10.69138080    -14.21549761
  O     16.84998047      9.80676911     -9.08411555
  H     18.05443733     12.74070795    -10.37218964
  H     12.48358644     11.11930025    -15.08026960
  O     15.26314211      8.15336560    -12.51556604
  H     17.62049952     14.21095834    -10.56572656
  H     17.78387544      6.87021813    -11.16533946
  O     17.40881408     11.69985201    -13.13873198
  H     18.69432428      8.65260546    -14.46699817
  H     16.64044524      7.87281186    -11.44674110
  O     19.87605463      5.92888221    -14.14698189
  H     19.92767444      9.10266289    -15.25815843
  H     14.09173665      7.89045544    -16.77675802
  O     13.70473766      6.25227763    -13.83347952
  H     17.65450331     10.33385481     -9.13332481
  H     13.33145821      8.73116104    -15.72402804
  O     17.71464098      6.05681914    -15.87506164
  H     17.03742455      9.00260908     -9.58581756
  H     19.26699056     10.85084581    -10.56751959
  O     18.17229977      5.22247495    -11.90626338
  H     14.92141322      9.05566647    -12.56507384
  H     20.02257019     11.37808644     -9.32478407
  O     19.74472782      9.86289338    -16.98486656
  H     14.61028038      7.53717788    -12.87030653
  H     19.48460631      9.45129243    -12.75877308
  O     16.92720086      8.48899337    -14.73724508
  H     17.95791417     10.98952522    -12.77982288
  H     18.54736372      9.04355019    -11.58348494
  O     13.23662365     10.53432752    -15.06094819
  H     17.38172283     12.38485020    -12.45917709
  H     15.71543343     12.34288940    -10.35437177
  O     17.47041191      7.75902867    -10.95833403
  H     19.96889766      6.89104304    -14.15952276
  H     15.55376270     10.93723745     -9.76705916
  O     13.50423597      7.82704415    -16.01468057
  H     19.42646866      5.71043606    -13.32189321
  H     17.96634860      7.09820398    -17.39306676
  O     19.19665643     11.44243386     -9.79724288
  H     12.87286083      5.80875064    -13.69103269
  H     18.55892553      8.49483610    -17.70758563
  O     19.08712662      9.76707755    -11.93615827
  H     13.61997855      6.75093981    -14.66578750
  H     15.63802535     11.12129692    -13.08787930
  O     15.07345238     11.63342481    -10.23975857
  H     18.54001672      5.89083561    -15.39423886
  H     14.67031540     11.13033278    -11.89088308
  O     17.91666784      7.84260409    -18.00959411
  H     17.36062039      6.88558944    -15.51693967
  H     17.19766699     11.37672947    -16.22844448
  O     14.74413363     10.86616579    -12.82068653
  H     18.33879385      4.39023696    -11.47088461
  H     17.93766549     11.80788237    -14.95937243
  O     18.05457459     11.69636812    -15.91082636
  H     17.44571214      5.06554334    -12.53621058
  H     16.22299891      8.11600417    -18.21456809
  O     15.27294367      8.33051152    -18.24836368
  H     19.17968510     10.57148013    -16.62645219
  H     15.00021456      8.21425500    -19.15441599
          69
 Energy    -248.43224405665475     
  O     16.39704428     10.73504482    -16.01522683
  H     17.07392094     10.19947022    -16.44769131
  H     18.85271909      5.74240852    -16.68971727
  O     13.21805273      5.61343420    -16.01874857
  H     15.60862417     10.63574004    -16.56374852
  H     18.70685061      7.89853209    -16.98526703
  O     18.50895867      5.66030206    -12.37417239
  H     13.79643410      5.38695085    -16.75659184
  H     17.36759873      8.20625234    -16.28109870
  O     15.85630350      7.89208401    -18.64849544
  H     13.54569810      5.14423083    -15.23945642
  H     15.34615205      7.62670210    -15.38201054
  O     14.87861137      4.95076198     -9.91503092
  H     19.28238066      5.94772709    -12.87406244
  H     16.42716558      7.42235723    -14.27184089
  O     14.27451566      4.53629601    -13.63274869
  H     17.91078319      6.42340252    -12.33994077
  H     13.76860813      8.40052974    -12.55961361
  O     16.74672738      7.73112299    -12.47142900
  H     15.26386606      8.62686941    -18.44481735
  H     14.51508432      9.66667225    -13.04413829
  O     17.12213571      5.00972828    -16.43961887
  H     16.70640302      8.13209246    -18.26442214
  H     16.95286180      2.70799190    -11.12442668
  O     13.86065547      2.74988519    -11.47608548
  H     14.44268350      4.18733977    -10.31542261
  H     16.70498756      2.56658327    -12.63096610
  O     19.23437852      9.26939062    -14.34229216
  H     15.81956977      4.73845917     -9.90576908
  H     13.31829118      7.34415649    -15.76212476
  O     15.02600276      5.30511892    -18.27526784
  H     15.20996283      4.33386995    -13.77252453
  H     13.47883173      8.57500084    -14.76853148
  O     19.60268847      6.35313608    -16.71147891
  H     13.96135138      3.90767068    -12.96993292
  H     21.41806482      6.98416305    -13.85464842
  O     18.04793055      8.59736056    -16.85611046
  H     16.69535685      8.68191897    -12.62391405
  H     20.07832959      7.73394260    -14.02861944
  O     16.24724456      7.32288795    -15.21332154
  H     15.87419653      7.42165893    -12.18322508
  H     17.55563167      4.47285993    -13.43820178
  O     13.67657510      9.20111223    -13.09764702
  H     16.48839446      4.89685517    -17.15749052
  H     17.10827901      4.09068252    -14.87634477
  O     16.49489668      2.16326577    -11.77669445
  H     16.81769239      5.79849167    -15.96211354
  H     18.33286211      4.21412417     -9.46798094
  O     13.62001442      8.26096955    -15.67224952
  H     13.31266435      1.99520922    -11.27944637
  H     18.05216366      4.72974484    -10.89570218
  O     20.47984959      6.84973320    -13.96725088
  H     14.77335988      2.42146360    -11.56857307
  H     13.90323351      9.36804075    -16.94256745
  O     16.98914360      3.87358091    -13.94212136
  H     18.94090036      9.15861672    -15.25664871
  H     13.42696886     10.41287578    -17.98409502
  O     17.67663103      4.21821693    -10.16075814
  H     18.51058532      9.71204478    -13.89342147
  H     14.19006190      6.07089524    -12.58698058
  O     14.20385823      9.98221406    -17.63850851
  H     14.77336733      4.93054273    -19.11520997
  H     14.41651483      6.25011726    -11.07352734
  O     14.27282867      6.74188009    -11.89531084
  H     15.29431140      6.22439218    -18.45051731
  H     16.59991564     11.25709402    -12.92401518
  O     16.53603912     10.39354563    -13.32559760
  H     19.96274555      6.36842337    -15.81750916
  H     16.43004789     10.53600107    -14.28372227
          69
 Energy    -248.43180971560389     
  O     15.86757357     10.92402833    -10.14043613
  H     16.27549365     10.17016008     -9.69908252
  H     15.88404735      4.85687428    -15.09178730
  O     14.78687166      7.93274794    -15.27717779
  H     16.36051342     11.05307811    -10.96230660
  H     18.89553510      7.49684683    -11.52207738
  O     14.67632842      4.84959937    -11.83598342
  H     13.91507294      8.05128683    -14.87471472
  H     19.43633773      8.92775833    -11.41304068
  O     18.31919425      6.57909666    -13.01920691
  H     14.89654545      7.00048577    -15.49639274
  H     15.70127181      8.25916375    -13.75321578
  O     15.68257883     12.03809938    -14.79394357
  H     14.86845383      5.68223798    -11.38358805
  H     16.95595849      7.78835503    -12.95736561
  O     10.95200600      6.16820626    -11.26670157
  H     13.96149904      4.42507203    -11.33780163
  H     12.85409354     11.81860314    -10.26758933
  O     12.43342993      8.45770936    -13.89138298
  H     18.62994860      7.07246437    -13.79791060
  H     14.18583415     11.07220922    -10.51944478
  O     15.15267415      7.31975611    -10.65228399
  H     17.88343580      5.76983425    -13.30125200
  H     13.50318239      4.88537115    -13.35084622
  O     19.02635988      8.40804048    -14.88337825
  H     15.49891928     12.86753600    -15.22596408
  H     13.69397464      4.88914008    -14.87615595
  O     10.70775880      6.25650306    -14.13428767
  H     14.83498092     11.71656666    -14.43573407
  H     12.99125952     10.27197252    -13.88289854
  O     16.83133380      9.69566119    -16.06017707
  H     11.44366425      6.98395404    -11.10068710
  H     13.33807244     11.19777507    -12.70101653
  O     15.33044757      5.19513577    -15.81340449
  H     10.71826025      6.18964517    -12.20196628
  H     15.99727649      4.44401564    -12.90598654
  O     19.08081440      8.20211358    -10.88643267
  H     11.73925754      7.81959244    -14.09465236
  H     17.04983554      3.41583248    -13.38198985
  O     16.18146179      8.36676515    -12.92238614
  H     12.54844314      8.42229494    -12.93054774
  H     11.86393931      4.73911626    -10.75307621
  O     13.25419268     11.13423752    -10.79726789
  H     15.74574824      7.62776515     -9.95815823
  H     11.98394860      3.47224850     -9.88787245
  O     13.02106632      4.86805949    -14.18722283
  H     15.46559948      7.74247212    -11.46928111
  H     20.33060130     11.01973339    -12.75113544
  O     13.40702471     11.11382274    -13.65994195
  H     19.40393588      9.05606672    -14.27741389
  H     18.83962571     10.61196678    -12.71939265
  O     16.69464820      4.28191608    -13.56679050
  H     18.31023166      8.86213169    -15.35163737
  H     13.48876675      7.99184278    -10.84501996
  O     12.45107214      3.99526296    -10.53278534
  H     10.05146114      5.86137132    -14.70094196
  H     12.74750910      9.35020810    -10.91481581
  O     19.74770315     10.26498865    -12.75571635
  H     11.50513258      5.69738721    -14.19030589
  H     17.84661470      8.44047831     -9.68889042
  O     12.65352780      8.40810122    -11.10167314
  H     16.51216196     10.54273263    -15.72960472
  H     17.46818625      8.45130316     -8.18984921
  O     17.10914153      8.56921280     -9.06498050
  H     16.08581804      9.08991059    -15.95084217
  H     16.77143091     10.04503416    -12.74722520
  O     17.10202784     10.95346947    -12.65713690
  H     15.75150582      4.93711727    -16.62998006
  H     16.68738386     11.46217018    -13.36475265
          69
 Energy    -248.43178698019847     
  O     16.62066335      8.82138048    -15.31346211
  H     17.24058022      9.13503280    -15.99664407
  H     19.23367907      9.98507288    -16.98660017
  O     18.89602264     14.80506028    -17.38057742
  H     16.29197104      7.97608455    -15.60786788
  H     16.52287685     12.91687176     -8.74492186
  O     20.51339481      9.60956399    -13.82097150
  H     19.66839159     14.22120524    -17.26040865
  H     17.25527664     13.43746242    -10.00002596
  O     18.14706414     14.67480196    -10.97160426
  H     19.02428931     15.26602965    -18.20507967
  H     20.64470615     16.59373757    -12.09058579
  O     14.37388161     12.95018956    -13.58729253
  H     20.81570623     10.46621536    -13.48078740
  H     19.40146017     16.54989970    -12.99518010
  O     18.81915451     10.71223718    -10.33895848
  H     19.63402126      9.47725136    -13.45525527
  H     19.62110373     13.59822663    -10.70721419
  O     15.64252115     11.18873418    -11.74555779
  H     17.61772932     14.51798328    -11.76754244
  H     19.93208819     12.10825168    -10.40163151
  O     20.99288968     10.34309384    -16.41153367
  H     18.67850923     15.45857481    -11.17310668
  H     16.89426160     10.19520682    -12.46468261
  O     21.48028286     14.64693323    -14.42711258
  H     14.58563900     12.35630317    -14.33114901
  H     17.30060696      9.31145267    -13.67578436
  O     21.02559454     12.24815726    -13.15163328
  H     13.45697521     13.19262859    -13.68087703
  H     21.01162749     12.25555450    -16.65325853
  O     15.14527860     11.31468224    -15.58229333
  H     18.50659224     10.25606953    -11.12720338
  H     21.36616788     13.63744798    -16.03067635
  O     18.28634977      9.90670179    -17.15131802
  H     18.06852363     11.22593152    -10.01290410
  H     22.64459055     15.53497746    -11.56421468
  O     16.80800453     12.66407507     -9.61959651
  H     15.91644614     11.71824895    -10.98668469
  H     23.18881174     16.83669216    -12.19894577
  O     19.68343364     16.66650092    -12.07885544
  H     15.13148972     11.77643931    -12.31492287
  H     18.81502601     15.54244127    -15.63038960
  O     20.34231209     12.97048638    -10.56476804
  H     20.83242448     10.03502425    -15.50301587
  H     18.10563672     15.29593630    -14.27821948
  O     17.65221222      9.76582430    -12.89787150
  H     21.73880479      9.84498408    -16.73776869
  H     23.32884950     13.83414763     -9.76457714
  O     20.99872313     13.20630254    -16.81348145
  H     20.58539283     15.01237221    -14.48751090
  H     21.88474999     13.82162456    -10.29165670
  O     22.51984307     16.16396419    -12.29592248
  H     21.95472905     15.18938974    -13.78539109
  H     18.09948646     11.33055510    -13.73800682
  O     18.88067664     15.71088390    -14.68203740
  H     20.84821416     12.48854356    -12.23262825
  H     19.34081418     12.23975902    -13.87659791
  O     22.70881644     14.33545658    -10.28779870
  H     21.30901159     13.05460578    -13.60150115
  H     17.76436810     13.33420818    -17.04091976
  O     18.41541136     12.15210602    -14.13493441
  H     15.49641134     10.42612359    -15.45990504
  H     17.81601442     12.38372539    -15.82392629
  O     17.39597888     12.51755484    -16.68867936
  H     15.81446400     11.79457728    -16.09138935
  H     15.94663753     13.97022197    -13.45060677
  O     16.86487046     14.25287528    -13.37742221
  H     17.95934361     10.81551808    -17.19956699
  H     17.40485564     13.48247766    -13.61800800
          69
 Energy    -248.43165462550655     
  O     -5.09532484      3.67717260      0.52709767
  H     -6.03606052      3.55446453      0.62906096
  H      1.50278629      3.33204782      3.87016084
  O     -2.78922580     -2.56361860      0.95462337
  H     -4.67816131      2.82012343      0.72455399
  H     -4.17996588      3.58840703     -1.20477319
  O      0.62138742      3.21070998     -2.73504509
  H     -2.93879902     -2.40333739      0.01556797
  H     -3.32231221      2.54005848     -1.95995573
  O     -2.60464218      0.78454355     -1.60711134
  H     -1.84956942     -2.77245363      1.03481073
  H      0.05708231     -2.22745040     -0.61127308
  O      0.27027605      0.57195663      5.35506675
  H      0.03518256      3.79552443     -2.22805871
  H      0.11108935     -0.99059869     -1.54153172
  O      0.24755661      5.74261138      2.29154905
  H      0.65139191      3.56988171     -3.61827116
  H     -2.02901087      3.20364942      4.00553945
  O     -1.35365082      2.95401657      0.98576346
  H     -2.79724527     -0.14205355     -1.79920904
  H     -1.50227746      3.63668277      2.61456998
  O     -2.37677226      1.56013553      4.67472625
  H     -1.64266762      0.85462472     -1.52964918
  H     -2.34722444      6.45144855      0.96494412
  O     -2.80343942     -1.99777329     -1.88527710
  H      0.58113954      1.46692235      5.12557932
  H     -1.85696658      7.77449822      0.32763650
  O     -2.65049046     -0.39777969      2.63245130
  H      0.60920056      0.37567247      6.22405189
  H     -3.36445978      1.08569668     -0.01947538
  O      0.18215052     -0.46679691      2.75910234
  H     -0.26305794      6.20574643      1.61728077
  H     -3.38787569      0.75908259      1.51049434
  O      0.89207744      3.07611399      4.57099573
  H     -0.40597448      5.34262818      2.87785880
  H     -3.04061346      5.04917716      2.62786255
  O     -3.55563007      3.47778084     -1.93160019
  H     -2.16448815      2.43683093      0.90480409
  H     -4.07407148      4.94903431      1.47866481
  O     -0.12784966     -1.92778275     -1.50993221
  H     -1.28843852      3.54281595      0.22293375
  H      0.59926228      1.04800350     -0.52605792
  O     -1.65874320      3.95560743      3.51883635
  H     -1.57423173      1.19391635      5.06486372
  H      0.42959446      1.60572972     -1.95816249
  O     -1.63204981      6.85492593      0.43962885
  H     -2.68409575      0.88399774      4.05742069
  H      1.61833217      2.33283600      1.47514591
  O     -3.66373746      1.40381403      0.84524891
  H     -3.06581885     -2.59641065     -2.57918002
  H      0.14085527      2.08111804      1.13294958
  O     -3.47950701      5.55746904      1.93581679
  H     -1.83067782     -2.04190203     -1.82638057
  H      0.60758204     -3.43776945      1.60487111
  O      0.21708664      0.85070559     -1.39049162
  H     -2.86090979     -1.19718221      2.12703724
  H      0.17093434     -1.96950413      1.80071905
  O      1.00699806      1.64445271      1.19033009
  H     -1.68561323     -0.36666092      2.67832837
  H      3.14069261      4.37250124      2.12718077
  O      0.07743008     -2.74361002      1.22108154
  H      0.27455488     -0.21369849      3.68633333
  H      1.61792191      4.63205080      2.17611984
  O      2.29856989      3.93783036      2.23230969
  H      0.54415631      0.25563036      2.22541568
  H     -2.06214955      4.34301323     -1.56764747
  O     -1.20218702      4.64941724     -1.23599611
  H      0.03698631      3.44617869      4.31917457
  H     -1.33088679      5.49059243     -0.78224647
          69
 Energy    -248.43161515071483     
  O     -5.29716830      3.58589167     -3.10310071
  H     -4.58724504      3.15527413     -2.58799792
  H     -7.45505048      6.30474556      0.69273454
  O     -4.22451393      1.52224508      0.89581578
  H     -5.39149580      3.09033841     -3.91125958
  H     -2.88607957      8.78341497      0.21716464
  O     -2.00333792      6.98863884      2.55565922
  H     -5.17562594      1.52333181      1.05357606
  H     -1.47451188      9.40669130      0.10902334
  O     -4.90488403      5.35278900      5.43293420
  H     -3.82787225      1.82879038      1.72042385
  H     -7.78913106      1.40104289      1.29716427
  O     -6.36900528      8.12748899     -1.75437973
  H     -2.02127354      6.10853406      2.15111323
  H     -7.04648156      2.55681959      0.58642122
  O     -5.60115896      9.79594412      2.70415976
  H     -1.90493139      7.61228006      1.82615256
  H     -2.81560345      3.47295333      2.55997856
  O     -4.55183466      9.10821011      0.22623470
  H     -5.42674979      4.75775730      4.87961159
  H     -2.92873188      3.15277859      4.07023945
  O     -3.39097026      2.52014198     -1.56236914
  H     -4.09089454      4.87545994      5.63325478
  H     -2.67496744      6.50268553     -2.09826586
  O     -2.20201804      4.56022498      1.29414784
  H     -6.63572438      8.62531556     -2.52330024
  H     -1.76701322      7.23218611     -1.08501417
  O     -4.47163227      7.55152079      3.82387656
  H     -5.71599260      7.47323521     -2.05594087
  H     -6.47955269      3.62329306     -1.62269517
  O     -1.05213361      6.29932038      5.05681242
  H     -6.45375127      9.95397524      3.10245926
  H     -7.27696578      4.55099757     -0.63404931
  O     -7.81555953      6.19420425     -0.19867020
  H     -5.19350616      9.08388824      3.22371145
  H     -1.97800489      3.56804215      6.42354108
  O     -1.93186973      8.58109756      0.24603298
  H     -4.98048399      9.40576728      1.04087620
  H     -1.85654526      4.78131141      5.47269336
  O     -7.03336531      1.97792081      1.36896271
  H     -5.24541881      8.85503719     -0.39095721
  H     -0.10098930      3.84890367     -1.49661550
  O     -3.27941503      2.91605273      3.20382074
  H     -2.54109194      2.95587417     -1.43833045
  H     -1.20047180      4.93687717     -1.41638818
  O     -1.77084997      6.54340345     -1.76094594
  H     -3.63474981      2.11911540     -0.71494612
  H     -6.31194844      5.34715377      2.62756362
  O     -6.85316734      3.68331944     -0.73625403
  H     -3.07348101      4.75052272      0.90878542
  H     -5.78591948      6.80041112      2.72944816
  O     -2.38089716      3.98547004      5.66650402
  H     -1.63115581      4.30676261      0.56026076
  H     -5.03551698      3.43883559      3.28378232
  O     -0.96903831      4.02923122     -1.14699521
  H     -4.61219867      6.85872533      4.48596935
  H     -6.45146315      3.08372395      2.78727994
  O     -6.34788356      6.21790325      2.20431370
  H     -3.62455421      7.37433680      3.39544077
  H     -5.24545105      4.47551932     -0.01710135
  O     -5.96562112      3.70328482      3.34440467
  H     -1.30526752      6.59769434      4.16883773
  H     -5.16291054      5.68243214      0.93595589
  O     -4.65305987      5.17164950      0.29315896
  H     -0.91347162      7.09345408      5.56792100
  H     -4.49461110      5.91305064     -1.33581173
  O     -4.52249362      6.16142008     -2.27443780
  H     -7.44403416      6.91229363     -0.72427860
  H     -4.77799528      5.35837816     -2.74511265
          69
 Energy    -248.43161243835775     
  O     -3.86209026      0.09685073      3.75426891
  H     -3.53230785      0.98530204      3.94063050
  H     -3.46417907      2.34886692     -1.05812709
  O      0.55784805      3.42263006      2.25129599
  H     -3.12230610     -0.40958945      3.38777383
  H     -6.74174612      4.79994281     -0.81841334
  O     -1.79598619     -1.19137220      2.44834754
  H     -0.33928666      3.67727364      1.97688106
  H     -5.71664432      3.66378550     -0.99909444
  O     -5.07341908     -0.09539173     -2.09046033
  H      1.09915770      4.20452255      2.17585029
  H      0.95212121      1.68486248      1.58525332
  O     -2.80899320     -1.79370054     -1.57391073
  H     -1.61088082     -0.75205178      1.60608207
  H      0.37863353      0.49422801      0.77370942
  O     -4.85528936      0.97452106      1.34391681
  H     -0.99076142     -1.11773771      2.97529616
  H     -5.46344575      4.46654042      4.84821756
  O     -6.78801622      2.85298175      2.02367411
  H     -4.28418321     -0.63941636     -1.98298641
  H     -4.40754039      3.62709749      4.09545637
  O     -2.86829239      2.72084989      3.97206790
  H     -5.71284361     -0.43113468     -1.44688143
  H     -2.71917605      4.60709050      1.55901168
  O     -4.91614861      2.58368077     -2.26388596
  H     -3.05878263     -2.23678362     -0.74165054
  H     -2.29835135      3.29172186      0.86113982
  O     -6.55358379     -0.88306773      0.13268318
  H     -2.54380045     -2.48162182     -2.17896530
  H     -4.68247885      5.17969470      2.43080914
  O     -6.01094258     -3.14199770      1.77352934
  H     -4.52354176      0.59068732      2.16632817
  H     -4.88297784      5.13414542      0.90217551
  O     -2.98737360      2.10482451     -0.25885782
  H     -5.54389137      1.60735795      1.58811701
  H     -6.95118728     -0.73285827      3.40468519
  O     -6.11256741      4.25921301     -0.34457388
  H     -6.34337810      3.31430371      2.74719759
  H     -5.48932603     -0.84358415      3.92670126
  O      1.07280077      0.74533443      1.39785413
  H     -6.66650533      3.38028930      1.22394395
  H     -0.02250950      1.10933680      4.47116202
  O     -5.22276529      4.14420609      3.98305834
  H     -2.63064954      3.08834812      3.10990036
  H      0.10061065      2.53457397      3.91217397
  O     -2.03953100      3.91864090      1.55182038
  H     -2.02698894      2.47761969      4.38646111
  H      0.88427870     -0.13335850      2.89392132
  O     -4.30097926      5.47169835      1.59332921
  H     -4.78696211      2.80163525     -3.18326078
  H      1.37318850     -1.06329933      4.03277352
  O     -6.29528397     -1.34893093      3.76259574
  H     -5.02795788      1.61531057     -2.22202880
  H     -7.79540815      1.23770549      2.26987013
  O     -0.30992652      2.01834863      4.61776257
  H     -6.43475855     -1.73746790      0.56575068
  H     -7.78268654     -0.08398186      1.48297366
  O      0.62108234     -0.56247683      3.72909074
  H     -5.91233526     -0.28431854      0.54712206
  H     -2.85160408     -2.46271549      1.50948984
  O     -8.04980249      0.30821440      2.32361544
  H     -6.11027627     -2.55669010      2.54680480
  H     -4.25588725     -3.03741222      1.18011522
  O     -3.37229437     -2.89270269      0.81966262
  H     -6.52226624     -3.92546335      1.95545411
  H     -1.76580651      0.79293012     -0.16332368
  O     -1.23093058     -0.00635898     -0.05745405
  H     -3.63741566      1.66235380      0.31301487
  H     -1.62283553     -0.65691348     -0.65293300
          69
 Energy    -248.43157586846729     
  O      1.05580595     -6.13281777      4.70235362
  H      1.30585190     -7.03216806      4.89827843
  H     -1.35199588     -3.45346284      0.13845357
  O     -3.39694365     -1.85505271      6.42206540
  H      0.25762595     -5.94305330      5.22424414
  H     -1.99088694     -5.37382603      6.52799174
  O     -1.80644662     -1.61116643      0.29394130
  H     -3.93698132     -2.54058680      6.00719044
  H     -0.73518601     -4.44952908      6.53932545
  O     -3.86964681     -5.25930878      0.05849792
  H     -3.15727854     -2.16837995      7.30237799
  H     -2.31208150     -0.18411711      3.32018533
  O      0.80379174     -2.05443127      3.48699297
  H     -2.60463267     -1.75191465     -0.23434988
  H     -1.19448460      0.76627385      2.89422568
  O     -2.09929273     -4.25169450      3.69734643
  H     -2.12049692     -1.67750531      1.20932034
  H     -5.77910515     -2.94202436      5.10690027
  O     -2.34379780     -3.02507660      8.75381816
  H     -3.94830320     -5.96590527     -0.57706720
  H     -5.10878321     -4.18535449      4.48194147
  O     -4.31351997     -2.43729748     -0.56034549
  H     -2.92291661     -5.03295159      0.10774574
  H     -4.50637534     -5.08410573      1.81756517
  O     -3.62018334     -5.17276395      7.25378139
  H      0.72021167     -1.37823430      2.80384576
  H     -3.72240446     -4.69061899      3.07646501
  O      0.01907927     -2.92016523      7.30112807
  H      0.17970802     -1.80509943      4.18292843
  H     -3.82254925     -1.85874115      2.55432801
  O      2.08966050     -3.59216796      5.61518772
  H     -1.32998270     -4.40241790      3.13311041
  H     -2.60803630     -2.58917816      3.21475892
  O     -1.29653393     -4.41525501      0.20646947
  H     -1.84937793     -4.55703118      4.57720526
  H     -1.11178545     -0.30356912      4.94010610
  O     -1.12765024     -5.22445042      6.11578742
  H     -1.44196454     -3.01114451      8.39225614
  H     -1.80664674     -1.41670293      5.73835917
  O     -1.88734391      0.66071292      3.55278953
  H     -2.27144741     -2.79984727      9.67805603
  H     -3.67269929      0.75567049      4.57937326
  O     -5.20668482     -3.69402310      5.30778768
  H     -4.86252392     -2.20271902      0.19905094
  H     -4.03103626     -0.27380919      5.66588098
  O     -4.62309764     -4.79345008      2.73182004
  H     -4.23610147     -3.39777357     -0.51477747
  H     -0.48564596     -0.57008653      0.95143274
  O     -2.89889908     -1.75778886      2.81826492
  H     -4.29363994     -4.76857039      6.69310899
  H      0.70513304      0.40865869      0.91352331
  O     -0.93397138     -1.08058534      5.48525617
  H     -3.35846013     -4.50470026      7.89935686
  H      0.59807559     -3.69973875      2.74751846
  O     -4.41260026      0.39405328      5.07742970
  H     -0.26267127     -2.16604750      6.76165837
  H      0.70084557     -5.21302267      3.09190022
  O      0.14385266     -0.08241945      1.50899461
  H      0.86983293     -3.18571649      6.92283552
  H     -6.00610273     -1.86167105      2.77521826
  O      0.36836852     -4.58838045      2.43589963
  H      1.87991454     -3.01640875      4.86951179
  H     -5.34690664     -3.16459961      2.24204975
  O     -5.52694725     -2.23716969      2.02661099
  H      1.93458949     -4.49118805      5.30157267
  H     -7.32931207     -0.86405533      4.73477629
  O     -6.50051564     -1.26406902      4.48442265
  H     -0.61213591     -4.59410370      0.86348040
  H     -5.80792902     -0.60115681      4.65390320
          69
 Energy    -248.43139981584531     
  O     13.55335445     11.87866841     -8.39233899
  H     13.77721231     11.02388271     -8.80464138
  H     10.23728221     13.26863328    -13.32745894
  O     11.14810600     10.93271830    -14.88882193
  H     13.52000362     11.72630800     -7.45134854
  H     13.49727204     13.34530459    -12.22615839
  O     13.97658705      9.52801712     -9.66212212
  H     11.32893419     11.00515413    -15.83384030
  H     13.45993211     14.77685207    -11.65077950
  O     18.62044256     13.11501452    -12.95916164
  H     11.12755874     11.83485010    -14.53502620
  H     12.00722889     13.91231077    -15.43132570
  O     11.53001612     12.29540687    -10.30010874
  H     14.71176942      9.31958747    -10.25482662
  H     12.36571350     13.16842271    -16.72920661
  O     11.65116157      9.67251636    -11.27886842
  H     13.16539954      9.35469767    -10.15462250
  H     15.34836949     11.95351783    -12.22738098
  O     13.25302477      9.72250682    -13.52181484
  H     19.56704400     13.17673834    -13.05337608
  H     14.14466374     11.22850485    -12.92731518
  O     14.96882456     15.73524363    -11.14865601
  H     18.30455236     12.50720275    -13.65181797
  H     16.96369691     10.71084858    -14.67589921
  O      9.45408727      9.72204168    -13.06461893
  H     12.10369176     12.19733129     -9.52970130
  H     16.74813534     12.16940432    -15.12048750
  O     15.15235461     13.22123634    -15.20793873
  H     11.95077885     12.97214151    -10.84952074
  H     11.89975175     11.19931151    -18.42319234
  O     14.56252565     10.82884585    -16.66787515
  H     11.60627511     10.58204343    -10.94651889
  H     12.95176823     11.09501690    -17.29115503
  O     10.99206872     13.51867776    -13.87992498
  H     10.83261620      9.52517689    -11.76740638
  H     16.48155371     10.06523563    -11.29932693
  O     12.89610589     14.05908665    -11.95936043
  H     12.79687310      9.57215695    -12.68255701
  H     16.11212765      9.09168765    -12.42586781
  O     12.66026088     13.87444156    -16.14305211
  H     12.59854258     10.12062071    -14.11181518
  H     15.82639930      8.22445424    -14.72473682
  O     14.56927646     12.08180477    -12.78455323
  H     15.53122149     15.51080144    -11.91134734
  H     14.81943968      9.26491234    -14.16536527
  O     17.42264089     11.54510844    -14.82075837
  H     15.10220531     16.66291479    -10.97352752
  H     16.52311122     12.41503168    -10.49734242
  O     12.03705508     11.36190675    -17.49411806
  H      8.78778129      9.16562503    -13.45971834
  H     17.54933093     12.28161874    -11.67290257
  O     16.08806875      9.19536031    -11.47310243
  H      9.98746059     10.08311663    -13.79260882
  H      9.87021924     12.41255154    -11.29239189
  O     15.71919608      9.15167662    -14.52141621
  H     14.93910275     12.83011050    -14.34461562
  H      9.13012078     11.50734135    -12.29203158
  O     16.84903119     11.82446314    -11.19447115
  H     14.32990642     13.58959765    -15.56507539
  H     16.04536689     14.59048537    -14.06067977
  O      9.24545338     12.42779770    -12.02975340
  H     14.79283516     11.67862084    -16.26912317
  H     17.27544634     14.45863585    -13.14620816
  O     16.48003939     14.98472682    -13.29659002
  H     14.99485408     10.16661368    -16.12185648
  H     14.88810472     13.06877262     -9.06673543
  O     15.66120524     13.51148211     -9.43870456
  H     11.66801960     13.83252390    -13.26218125
  H     15.35394768     14.29851637     -9.90330733
          69
 Energy    -248.43131909275758     
  O     15.42432470      8.30120383     -9.77853207
  H     15.08088471      7.39948087     -9.78113814
  H     12.26776213      6.73229589    -15.43111740
  O     14.96975849      5.10627351    -15.68603467
  H     14.80664118      8.79046845    -10.34227103
  H     17.62003866     10.84013436    -14.52074259
  O     17.20104235     10.60876815    -10.26405376
  H     15.04284873      6.03847349    -15.91927577
  H     17.94263132     12.14753761    -15.28315331
  O     18.10913713      9.28303728    -13.83116347
  H     15.83095101      4.87481627    -15.31757986
  H     15.92665282      7.22366478    -12.77385097
  O     10.79883136     11.15592803    -13.78019039
  H     16.54627404      9.97497313     -9.95648784
  H     15.06756361      8.52527634    -12.63267578
  O     16.56321022      5.63296324    -12.05354594
  H     16.76052130     11.21031333    -10.88377310
  H     13.61104723      5.76821795    -10.96067663
  O     11.53513799      8.50868350    -13.03486729
  H     17.27176033      8.88849484    -13.54506180
  H     14.04746156      5.03915521     -9.66982675
  O     16.10852126     12.23510093    -12.22358638
  H     18.66276792      9.36155315    -13.04378067
  H     18.17087033      4.21857441    -14.41922636
  O     14.68552664     10.80072210    -15.61785954
  H     11.09726819     10.95159243    -14.68529752
  H     17.21183493      5.12026410    -13.60959423
  O     12.41746652      4.94062066    -14.82451915
  H     10.00365022     11.67543930    -13.86068776
  H     11.93261233      6.80369313    -12.31579663
  O     15.18481151      7.99976744    -15.85162315
  H     15.79478525      5.46423244    -11.49505549
  H     12.38951649      5.51408897    -13.01603356
  O     12.40070419      7.67586618    -15.58590643
  H     17.20348349      6.11420913    -11.50268690
  H     20.19628645      9.91695954    -10.99066508
  O     17.24246322     11.67915402    -14.83560326
  H     11.84279270      8.24193673    -13.91340144
  H     18.64968320      9.99921436    -10.93856861
  O     15.68806026      8.05440936    -13.20221589
  H     11.12878198      9.37598884    -13.14983672
  H     18.13883948      8.05333788    -15.30641933
  O     14.34610502      5.65790398    -10.33143562
  H     16.56883536     12.16303607    -13.06734814
  H     17.85862455      6.55669490    -15.53420741
  O     17.52585204      4.91586824    -14.50719288
  H     15.17142947     12.27292920    -12.45224467
  H     18.59875687      7.93794003    -10.73850035
  O     12.37100780      5.95822134    -12.15944680
  H     15.54630275     11.21085175    -15.46044860
  H     17.20414964      7.68196413    -10.13109177
  O     19.40255241      9.55501897    -11.37394273
  H     14.86818926      9.86797311    -15.78691914
  H     11.91643729      9.44937435    -16.13234319
  O     17.85261226      7.41583244    -15.97422406
  H     13.34637906      4.88816888    -15.11311546
  H     12.81765832     10.69582631    -16.15335469
  O     18.00203227      7.23813750    -10.45093094
  H     11.96841229      4.18737402    -15.19909315
  H     12.56861691     11.70739453    -13.30689730
  O     11.89358430     10.41519352    -16.15476193
  H     15.25598132      7.99124943    -14.88102867
  H     13.89587628     11.42476899    -14.05102352
  O     13.52757200     11.75005634    -13.21669177
  H     16.09212321      7.86457047    -16.16249642
  H     12.99805361      9.01378559    -12.04653403
  O     13.80070760      9.42843426    -11.70410865
  H     13.34184697      7.78904656    -15.77683394
  H     13.81807505     10.31063372    -12.09633649
          69
 Energy    -248.43125172526953     
  O     16.66543269     10.23869012    -15.10623834
  H     17.55929485      9.86945172    -15.08178352
  H     12.31336423     10.51288534     -9.47207393
  O     16.56862846     13.02098456    -15.29263410
  H     16.70699662     11.18265831    -15.29983648
  H     17.45824968      4.20745073    -14.26381168
  O     12.96089596      7.25642305    -10.78605362
  H     16.32938338     13.62476911    -15.99002157
  H     16.52550886      5.43897126    -14.22045765
  O     14.82032194      8.30868125    -15.79518568
  H     15.89996721     13.11966854    -14.58960681
  H     15.73173777      8.34785836    -11.88179432
  O     19.05816813      8.94104260    -14.67539825
  H     12.79075438      8.14042516    -10.43947528
  H     15.43749690      6.91768443    -12.38702087
  O     20.51953473     10.95285455    -13.38941107
  H     13.91338897      7.22758422    -10.94330323
  H     18.70045767      7.58914446    -15.97472354
  O     18.37515761      7.21152410    -12.54373091
  H     15.12299792      7.92374112    -16.63014476
  H     18.10402964      6.18505311    -15.77184942
  O     12.21418951      6.30584535    -13.20881917
  H     15.43544977      9.02487757    -15.58459807
  H     16.99910106     14.07652710    -10.46833988
  O     14.88412087     13.20467047    -13.18307767
  H     19.66710113      9.60831693    -14.33491131
  H     17.11154605     12.55835780    -10.74126719
  O     12.52471617      8.99135022    -14.30654099
  H     18.81655186      8.37905002    -13.92523612
  H     16.91628294      7.06144968    -17.50385922
  O     13.41089467     10.86152245    -12.49170666
  H     21.37888778     11.34894304    -13.50559867
  H     16.24997602      7.09433846    -18.89079666
  O     12.94600635      9.97475397     -9.94073172
  H     19.87256653     11.68093084    -13.37498632
  H     16.30661657     10.12168647    -13.35527322
  O     17.45527444      5.16147299    -14.27673043
  H     17.53391536      7.31134335    -12.08010647
  H     16.59452261     10.37798320    -11.82266601
  O     15.69094005      7.41841734    -11.59868698
  H     18.26492460      6.41996582    -13.08548084
  H     18.03973168     13.01294458    -14.10555534
  O     18.33560318      6.83189040    -16.44933359
  H     12.37260751      6.61716359    -12.29960005
  H     18.14052482     13.15441280    -12.57944942
  O     16.90704224     13.41724865    -11.15138593
  H     11.43042747      5.76393645    -13.18300400
  H     18.26743543     10.42331501    -10.46833162
  O     16.06799181      7.19311908    -17.96064565
  H     14.24373838     12.51688960    -12.96234581
  H     16.86589406     10.36294144     -9.75958850
  O     15.99299918      9.96758899    -12.45502475
  H     15.46766428     13.30088442    -12.41955065
  H     14.92794032      6.94546730    -14.64368899
  O     18.64573495     12.90525199    -13.36240327
  H     13.23842755      8.82491354    -14.93779495
  H     13.98457044      6.06762407    -13.78996332
  O     17.46323487     10.92680644    -10.27224885
  H     12.28183917      8.12320542    -13.96727284
  H     19.32115955      8.58941671    -11.53564277
  O     14.91383973      6.21536023    -14.00497585
  H     12.97922819     10.28879021    -13.14335758
  H     20.00234676      9.93472820    -11.86547946
  O     19.57706542      9.43781175    -11.15509090
  H     14.33615457     10.57135552    -12.45955291
  H     15.72069784      8.38875359     -9.74347631
  O     15.61701644      9.18130410     -9.20716105
  H     13.03618759     10.35791773    -10.82989039
  H     14.70749114      9.47474924     -9.35001122
          69
 Ord_Energy   -248.431198    
 O    3.09761357       5.12891340       6.11843395    
 H    3.49376273       4.31937313       5.77349949    
 H    3.64998984       5.84866762       5.78869581    
 O   0.926834643       1.45919645      0.817582428    
 H   0.152550101       1.10143650       1.27250695    
 H    1.48556447       1.82708526       1.51329219    
 O    4.36047554       2.95995331       4.72036743    
 H    5.05616331       2.35800195       4.97027588    
 H    4.75770044       3.62120152       4.12458324    
 O   -6.87536299E-02   3.06547523      -1.14260399    
 H    9.56931487E-02   2.67616296      -1.99761796    
 H   0.349109381       2.47991467     -0.485683233    
 O   0.471351355       5.54499960       7.25514814E-02
 H   0.335119367       4.78783226     -0.510163188    
 H  -0.164159462       5.42153978      0.794246018    
 O   0.409711063       8.12864971       1.44389820    
 H  -0.483814776       8.18700981       1.80684018    
 H   0.404254079       7.42424345      0.784536242    
 O   -1.31767857       5.26064634       2.15649629    
 H   -1.47079778       6.16393805       2.46170306    
 H   -2.18410802       4.87839222       1.96713197    
 O    5.17982292       4.95816278       3.06797981    
 H    4.48700666       5.01779747       2.39679456    
 H    5.10928631       5.77033615       3.58615398    
 O   -1.39875340       1.09154201       2.35440564    
 H   -1.03452158       1.79862499       2.90043449    
 H   -2.12877584      0.713492990       2.86463261    
 O   -3.78780198       5.78791857       5.33836412    
 H   -3.04326916       6.35537338       5.57134485    
 H   -4.18850470       6.18907166       4.55778933    
 O    2.00383186       7.25827932       3.48350191    
 H    1.46671569       7.67524910       2.79323673    
 H    1.42031288       6.75303650       4.06357002    
 O   -3.53597879      0.538519442       4.01064110    
 H   -3.53676510       1.45720875       4.32367849    
 H   -4.03566742       3.94397601E-02   4.65137291    
 O   -3.14932513       3.23220277       4.56980801    
 H   -2.18650436       3.24414635       4.50262976    
 H   -3.41475010       4.07706404       4.96283007    
 O   -4.61057949       6.76167345       2.74205446    
 H   -4.45543623       5.86747932       2.39113212    
 H   -5.46182632       7.04083443       2.41476870    
 O    2.70712972       5.20442247       1.69331396    
 H    2.04788995       5.29453754      0.992757499    
 H    2.51961517       5.91493607       2.32173848    
 O   -1.47393620       7.44799995       5.67904854    
 H   -1.28802276       8.03600025       6.40692759    
 H  -0.738003194       6.81418800       5.63501215    
 O   -2.56189013       2.63748693      0.287644982    
 H   -2.21420813       2.00653434      0.933138669    
 H   -1.82424557       2.84900594     -0.294391692    
 O    2.15241742       2.82962608       2.98727369    
 H    2.34748292       3.64616036       2.50226545    
 H    2.87481999       2.70274091       3.61291981    
 O    4.45946980       7.20966387       4.67130709    
 H    3.60706306       7.35640335       4.22494268    
 H    4.83253860       8.07036591       4.84211111    
 O   0.546758711       5.64932966       5.31263924    
 H   0.213418245       4.83285427       4.92434978    
 H    1.40750968       5.44663429       5.71194410    
 O   -2.00436401       7.84338760       2.93083525    
 H   -1.83073711       7.84629726       3.88170314    
 H   -2.93997192       7.63042974       2.81506968    
 O  -0.381096810       3.37118554       3.86318326    
 H  -0.667122245       4.03477478       3.21303320    
 H   0.523684502       3.11211634       3.63133574    
 O   -3.91877818       4.21668053       2.00950074    
 H   -3.60099554       3.63393593       1.30167806    
 H   -3.77195668       3.76434255       2.85126781    
          69
 Energy    -248.43092812075216     
  O     13.50472260      1.85305169     -8.33611233
  H     12.83008652      1.87948083     -9.03499307
  H     13.57298188      7.13867210    -14.32814360
  O     11.76502886      2.12311585    -10.43913538
  H     13.15362996      1.30405989     -7.63922285
  H     11.28842865      1.93312622    -14.44690007
  O     13.86712332      3.13102759    -15.96554823
  H     11.73663640      3.08989800    -10.41575569
  H     11.21930020      3.34818924    -13.82592855
  O     17.11399868      3.74400034     -9.60926703
  H     10.91643887      1.86630184    -10.82736664
  H     11.60761470      8.00387574    -13.76903556
  O     11.38521782      4.85861972    -10.62854861
  H     13.47697605      2.27852908    -15.74297579
  H     10.64552980      9.20072581    -13.57890320
  O      9.37484762      2.00735377    -11.76093204
  H     14.38316089      3.37266247    -15.18328479
  H     12.28871472      5.49159174    -13.70389756
  O     13.80356060      1.30697268    -12.19369464
  H     16.39394457      3.97019159     -8.99171097
  H     13.19308239      4.31650060    -13.25863718
  O     14.84089225      3.60298321    -13.40431905
  H     17.93013330      3.81768498     -9.12204697
  H     14.43499174      5.03239262     -8.56951391
  O     14.91398079      7.46390480    -13.17791022
  H     10.42059906      4.87133871    -10.64140296
  H     14.36425308      3.54938680     -8.11348256
  O      9.89564336      4.93120733    -15.58871405
  H     11.67655224      4.84292351    -11.55546960
  H     13.17367491      0.86883590    -13.82381196
  O      9.15393032      6.25944562    -13.25459875
  H      8.99005580      2.85709853    -11.51393017
  H     12.76907152     -0.15171843    -14.90929870
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  H      9.71250681      2.13413607    -12.65898081
  H     13.49693916      7.07389010    -10.17097783
  O     10.67527289      2.62594073    -14.17593613
  H     14.53832531      1.17757624    -11.57543376
  H     12.80581552      5.70608137    -10.02008149
  O     11.05979135      8.47627086    -13.11516444
  H     13.04444417      1.57044847    -11.65579354
  H     16.25445449      2.06628479    -10.07557739
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  H     15.26311035      4.18374662    -12.75767387
  H     15.00708692      1.40893650     -9.46515929
  O     14.92779254      4.33325926     -8.11973793
  H     14.59256337      2.78645513    -12.94931011
  H     16.37245036      4.84948035    -10.92122761
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  O     13.63122801      6.18022770     -9.83573120
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  H      7.80588362      5.00471222    -10.70783662
  O     15.64994310      1.32233420    -10.18090779
  H      9.99804947      4.03601321    -15.23707010
  H      8.75098580      5.26554472    -11.90393803
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  H     12.34093199      8.58365685    -11.78140671
  O      8.62773130      4.72545851    -11.10153801
  H      9.36412556      5.85292018    -14.10860021
  H     13.15172417      9.52106167    -10.86283368
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  H      9.74512337      7.01024684    -13.14771629
  H     12.64062748      5.37647866    -17.80361502
  O     12.50098713      5.29752999    -16.86375354
  H     12.72544503      6.53257768    -15.52369026
  H     12.98255625      4.50114716    -16.57733856
          69
 Energy    -248.43079867010562     
  O      3.07562350      2.11803600     15.21701564
  H      3.82948619      2.05246167     14.63633566
  H      2.75319324      3.55106434     16.47977769
  O      0.00372996      1.31319041     11.23175059
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  H     -1.61010057     -0.66488771     19.78306430
  O     -0.25797535      4.28475063     16.76208461
  H     -0.59950994      2.06689265     11.18453884
  H     -2.46066973      0.54776772     20.23394498
  O     -1.84015239      3.45583592     11.62595196
  H     -0.55640131      0.53393133     11.33939424
  H      0.13187216     -1.22724462     15.15546431
  O     -1.69664255     -0.85317698     12.06242157
  H     -0.40580010      3.37191190     17.05312908
  H      0.11735191      0.07272770     14.28652497
  O      2.16775808      0.59554639     17.39030587
  H      0.69030365      4.43656568     16.87523935
  H     -3.20265334      1.26160065     15.54277876
  O      2.59779024      2.40817061     19.49643493
  H     -1.63557715      3.60067342     12.56510286
  H     -3.72872705      1.75233796     14.16321605
  O     -2.41435546      5.40611624     18.01458502
  H     -2.02947460      4.31220964     11.25105531
  H     -2.17023594      4.51914258     19.70379145
  O     -1.32909226      3.51520394     14.34086178
  H     -1.80376728     -1.73813643     11.72276193
  H     -2.71169629      3.24094166     20.37001047
  O     -3.56991316      1.29117748     12.42763376
  H     -1.23412743     -0.93478820     12.91353262
  H     -4.72360503      1.68978117     20.27042036
  O      0.81394886     -1.77951511     16.70644210
  H      2.42617913      1.10185244     18.17196197
  H     -3.99121770      2.19614327     19.00995195
  O      2.44616286      4.14580683     17.17521976
  H      2.57348088      1.03460701     16.63097557
  H     -2.18450133     -2.65225462     18.29947245
  O     -1.65469592      0.04971039     20.42822649
  H      1.70647042      2.34905002     19.88436480
  H     -1.95995238     -1.27566099     17.63514475
  O     -0.33844256     -0.76530082     14.44497962
  H      3.20902985      2.47212073     20.22553004
  H      0.06735369      2.34933337     14.06937214
  O     -3.55705708      2.03099974     15.07448370
  H     -2.47687239      6.34801236     17.87862536
  H      0.66903374      1.57847591     12.86773351
  O     -2.02984390      3.92073723     20.44674056
  H     -1.60710475      5.10910620     17.56218935
  H     -4.05300220      2.85415082     16.66229517
  O     -3.85956087      1.76388456     19.87248845
  H     -2.11502162      3.02950579     14.63273250
  H     -3.63839088      3.98740182     17.63898679
  O     -1.61580100     -1.88555225     18.30864797
  H     -0.95306473      3.94893333     15.11745097
  H     -0.57686616      2.88515583     20.50779319
  O      0.76993114      1.73503046     13.81904162
  H     -3.02436756      0.50984076     12.27352106
  H     -0.43639591      1.33490016     20.56318218
  O     -4.13603590      3.16365521     17.57312319
  H     -3.10125098      2.02352026     12.00928420
  H      0.44374546      1.27121979     17.44792475
  O      0.05052649      2.15603902     20.39222066
  H      1.37584384     -1.06300484     17.03197554
  H     -0.42192493      1.81909474     18.60377828
  O     -0.41029052      1.67765711     17.64832981
  H      0.12161792     -1.90543010     17.36553377
  H     -1.63989326     -0.30006517     15.65478878
  O     -2.18789498      0.01621911     16.38708531
  H      2.54789682      3.65772570     18.00194054
  H     -1.64121375      0.64955426     16.88033140
          69
 Energy    -248.43073311585846     
  O     -4.07568947     -0.29613062      2.79086699
  H     -3.93243353      0.54501518      3.24619121
  H     -6.32596349      3.09656306      1.56058340
  O      0.17213272      3.08142911      3.55203514
  H     -3.21211239     -0.72404633      2.69267640
  H      2.41028471      1.20309413      2.30471587
  O     -1.70159392     -1.55809220      2.15726874
  H     -0.52862747      3.46423135      3.00561042
  H      1.06062957      1.82728892      2.73397932
  O     -3.81411984      0.32245433     -2.78660812
  H     -0.27051297      2.70755835      4.32323460
  H     -5.10343813      4.59763787      2.60601224
  O     -1.99700161     -1.30319246     -1.46016993
  H     -1.26192786     -0.95217834      1.54085327
  H     -4.97283154      3.31214447      3.44724463
  O     -4.22434199      1.04093600      0.38513612
  H     -2.09290046     -2.26017872      1.62461472
  H     -2.61972496      4.55741280      1.84689987
  O     -8.18875011      0.79519712     -0.21384313
  H     -3.11088864     -0.23410135     -2.41876820
  H     -1.92533366      3.35823995      1.15035202
  O     -3.43280337      2.20127374      3.81513978
  H     -4.63801832     -0.06841013     -2.47291005
  H     -4.07034378      6.64460667      1.35596706
  O     -3.32480259      2.98789046     -2.70877747
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  H     -4.30396715      5.32951854      0.57471677
  O     -5.89766097     -0.64667959     -1.16889262
  H     -1.33020717     -0.86994140     -0.91346170
  H     -6.50406488     -2.01763764      1.40100898
  O     -1.96016905      2.34545031     -0.33635914
  H     -4.60791337      0.45817421     -0.28161942
  H     -5.13160777     -1.49372622      1.89220934
  O     -6.43329190      2.64385588      0.71180523
  H     -4.16772784      0.55027252      1.21562789
  H     -1.16201791      1.49179602      6.46894160
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  H     -8.86722987      1.20951743     -0.74072393
  H     -0.89680221      0.79446194      5.11360589
  O     -5.61583737      3.88928719      3.01578469
  H     -7.63792893      1.51090986      0.14943300
  H      0.54658081     -0.05983771      3.62119873
  O     -2.02208138      3.81478612      1.99799295
  H     -2.95558916      2.72150501      3.15243836
  H     -0.66517070     -1.00425268      3.60961723
  O     -4.00611042      5.69615761      1.42663801
  H     -2.79543833      2.01628053      4.51677875
  H     -8.81712375     -1.30451885      2.24816527
  O     -5.55044308     -2.09478792      1.25842588
  H     -3.10873989      3.28123690     -3.58979259
  H     -8.29979327     -0.65009911      0.95826633
  O     -1.29567410      1.58009773      5.52922240
  H     -3.52698293      2.03667902     -2.77605307
  H     -4.06431168     -2.92932308      0.68176253
  O     -0.11201999     -0.47058374      4.19519260
  H     -6.72639299     -0.18307196     -0.99840519
  H     -3.23969247     -4.15427810      0.22986409
  O     -8.21766063     -1.43713870      1.51712111
  H     -5.78163132     -1.26226161     -0.43315209
  H      0.32159814      0.46033230      0.98056764
  O     -3.17891332     -3.21847015      0.40643512
  H     -2.17898561      2.69291323     -1.20746485
  H     -0.86520186      0.97647865      0.12263473
  O     -0.40949559      0.17526146      0.41826748
  H     -2.75747293      1.86404118     -0.05668008
  H     -5.55852104      3.89184599     -0.45135655
  O     -4.91611744      4.49976222     -0.83918629
  H     -5.63495541      2.10555709      0.60017017
  H     -4.41841864      3.99858261     -1.49613789
          69
 Energy    -248.43034236259103     
  O     -8.07171372     -2.51825954      5.48612138
  H     -8.70862524     -1.81625509      5.31207799
  H     -6.96909450      0.35444448      4.09438933
  O     -9.86725320     -2.28104901      2.09675200
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  H     -4.97260581     -1.39346418      5.62398169
  O     -7.93213872     -4.05646069      3.26777178
  H     -9.28849446     -2.97792200      2.42868818
  H     -5.06788785     -1.74994189      7.12882526
  O     -5.55650311      1.05308665      0.34898060
  H    -10.08566261     -1.73809685      2.86383200
  H     -1.14889702      2.51918583      1.79616843
  O     -6.66541047      1.08483779      5.75921978
  H     -8.04808647     -4.98339227      3.45734959
  H     -2.61442986      2.17238770      2.14733569
  O     -5.44045146      5.41475656      1.31616997
  H     -7.98391065     -3.58411884      4.11907011
  H     -9.93806759      4.81658728      4.45777221
  O     -4.09937168     -1.30923898      4.13263745
  H     -5.62273259      0.15108067      0.01186560
  H     -8.79331506      4.02906950      3.78366185
  O     -4.13933344      3.46649718     -0.03857721
  H     -6.46126820      1.34371279      0.52541560
  H    -10.41589743      2.58354045      3.14209364
  O     -9.79546404     -0.45017505      4.28251665
  H     -6.18558679      0.33336276      6.12961175
  H    -10.54134951      1.05226042      3.08383523
  O     -6.11494417     -1.62606348     -0.37516166
  H     -6.03529874      1.75921552      5.46972798
  H     -5.95866168     -2.18768358      1.39209901
  O     -3.97301614      1.13592350      2.70304619
  H     -4.99836558      4.74532083      0.76314112
  H     -6.59317303     -3.00325110      2.56804257
  O     -7.26317929      0.02272097      3.23627876
  H     -5.49146145      6.21198104      0.79544878
  H     -9.16469818     -1.43761701      0.66740212
  O     -5.56098189     -1.38156437      6.40078069
  H     -3.91527458     -0.46858915      3.69542672
  H     -8.70473876     -0.02416001      0.24736734
  O     -2.03512694      2.87122380      1.79856968
  H     -4.62764204     -1.81290025      3.49664614
  H     -9.51600479      2.47512897      5.53432808
  O     -9.62462402      3.93391138      4.27543760
  H     -3.31666532      3.30469531      0.44029487
  H     -8.44517579      1.49582203      6.04971724
  O    -10.55065039      1.84430108      2.53516375
  H     -4.60653640      2.62083764     -0.05781953
  H     -4.07620992      5.18137979      2.71531656
  O     -5.95062540     -2.31584616      2.34855937
  H     -9.81575052      0.23034974      4.97344715
  H     -2.83562632      4.28517342      2.86545434
  O     -8.67945249     -0.94868462     -0.01498473
  H     -8.94378373     -0.33935058      3.83119111
  H     -6.01419312      3.27850357      3.88675598
  O     -9.40161200      1.63686762      5.99698973
  H     -5.97119007     -2.10205460     -1.18818179
  H     -4.55487076      3.65565859      4.22572122
  O     -3.46057918      4.82375085      3.36701309
  H     -7.07164106     -1.44014308     -0.31800974
  H     -9.06966133      1.79298286      1.53624345
  O     -5.23531489      2.98470320      4.37915994
  H     -4.42975227      1.74014069      3.30571333
  H     -7.78373855      1.04338877      1.95172429
  O     -8.14813784      1.64223253      1.27524182
  H     -4.53470096      1.03677251      1.92267038
  H     -7.57493484      3.18682832      2.14181618
  O     -7.31584013      3.90778734      2.73098762
  H     -6.76724869     -0.77379125      3.01165380
  H     -6.74161149      4.50218592      2.22935533
          69
 Energy    -248.43029649110889     
  O     12.73558523     11.93609740    -14.36599461
  H     12.44759866     11.59432659    -13.51053034
  H     18.87433271      6.76074138    -16.53955587
  O     14.93755881      6.30608529    -13.75378152
  H     13.60495984     12.33165152    -14.23531654
  H     17.67098495     12.26814836    -16.67592724
  O     18.18931265      9.26468469    -12.26339494
  H     14.44619286      6.52145363    -12.94918326
  H     17.61602979     11.10807956    -15.65917671
  O     18.61602813      9.85247769    -14.99676807
  H     15.87848104      6.35522593    -13.53947181
  H     14.96652529      8.11621237    -14.29139492
  O     11.56575473      7.62909628    -15.73399571
  H     17.40511371      9.83389714    -12.29645804
  H     14.37793326      9.32012991    -15.07215368
  O     15.70752316      8.52750862     -8.82875967
  H     18.34742830      9.06196054    -11.33366435
  H     11.56247556      9.84018413    -12.35134247
  O     13.58900988      7.11304768    -11.47801404
  H     18.49000623      8.97927923    -15.38588394
  H     10.90344718     11.02199670    -11.60195504
  O     15.89932544     10.73852191    -12.55570497
  H     18.61735487      9.71602983    -14.04036740
  H     17.93661808      6.68473601    -10.21094181
  O     16.03720562      7.46424894    -17.76056931
  H     10.82978894      7.23543788    -16.19509612
  H     17.62851489      5.99691866    -11.55280008
  O     15.05876514      5.80084362     -9.48488310
  H     12.35252075      7.10018414    -15.95831605
  H     12.07562084      7.67539717    -12.47670843
  O     13.84909445      6.28290564    -16.26849374
  H     15.10254077      9.05138655     -9.37147776
  H     11.47325962      7.97895960    -13.87616693
  O     18.19135484      7.18986476    -16.02873342
  H     15.40532318      7.61381721     -8.89984368
  H     17.80415211      7.60599482    -12.93727557
  O     17.08447070     11.80742864    -16.08030182
  H     13.79019872      8.03222978    -11.25087000
  H     17.88564839      6.75737341    -14.22496005
  O     15.05958161      9.06302026    -14.44118527
  H     13.97078781      6.57088351    -10.77659364
  H     18.87403434      8.68769835     -8.83028121
  O     11.73029304     10.72218062    -11.97063215
  H     15.79818263     11.61939188    -12.92920880
  H     17.39488011      8.55793842     -9.26494697
  O     17.53674909      5.89506969    -10.59657609
  H     15.59560494     10.11634600    -13.24307213
  H     14.49843679     10.10581813    -17.29825530
  O     11.42964482      8.22108325    -12.94366238
  H     15.99220688      7.20183333    -18.67675203
  H     15.92830546     10.66815446    -17.14789756
  O     17.65039112      6.71705742    -13.29041294
  H     15.81484366      8.41270939    -17.73416685
  H     13.24418689     10.17448122    -11.01899747
  O     18.31564756      8.46327990     -9.56955038
  H     14.95647885      5.01344698     -8.95763149
  H     14.75845303     10.15408100    -11.31931589
  O     15.38749312     10.07888928    -17.68449217
  H     15.93878294      5.74940434     -9.89976311
  H     15.98196712     12.59534267    -14.87578514
  O     14.07954558      9.78309326    -10.73637298
  H     14.22424214      6.12932878    -15.38764442
  H     15.62440709     13.91965412    -14.16434471
  O     15.43466008     12.98467356    -14.17412060
  H     14.55963594      6.66385708    -16.79514392
  H     12.41628229      9.26154082    -16.11738757
  O     13.04652380      9.97870794    -16.24936481
  H     17.41549097      7.26018226    -16.60694692
  H     12.82781143     10.69480352    -15.63317734
          69
 Energy    -248.43016125221561     
  O     17.33833895      8.82194102    -15.42753944
  H     16.38788614      8.74942380    -15.27633879
  H     15.89399067      6.55701941    -17.30066680
  O     20.70739301      6.42722597    -13.02858929
  H     17.50454236      8.36342127    -16.25931272
  H     17.30809349      2.34775774    -11.39685934
  O     14.67947762      3.70031700    -16.15407111
  H     20.38000851      5.83296228    -12.33871033
  H     18.21466694      1.14353148    -11.06761300
  O     18.77289273      5.28052680    -16.13996848
  H     20.95066478      5.83657627    -13.75010445
  H     13.35325712      7.19347155     -9.83995393
  O     13.93208866      4.31696848     -9.16389441
  H     14.79557231      4.61360886    -16.47424496
  H     11.85113682      6.94099222    -10.12058374
  O     16.41931992      7.86288729    -11.21801921
  H     13.97926269      3.31333118    -16.67227059
  H     18.69200391      4.95290915    -10.79212748
  O     19.32091143      2.37436455    -14.18453530
  H     19.67162810      5.00107971    -15.92533020
  H     19.12943379      3.61456136    -11.43170302
  O     17.23663565      5.56723503     -9.90224511
  H     18.31875361      5.35974772    -15.28763461
  H     14.89292910      4.08404741    -14.36988062
  O     17.63168707      7.14379307    -17.73127045
  H     14.46146220      3.84745053     -9.82127387
  H     16.05231870      4.78006303    -13.59989009
  O     17.64994149      5.46897237    -13.59315367
  H     13.43736394      4.99427434     -9.64127094
  H     19.33130645      7.66995838    -13.09540218
  O     21.09055128      4.28652428    -14.97277347
  H     15.69891361      7.57609805    -11.79490374
  H     18.20883168      8.44026529    -13.90781444
  O     15.06176979      6.26880336    -16.90574002
  H     17.17119336      8.08557683    -11.78575696
  H     14.46695758      6.00274904    -12.99571436
  O     18.17186041      1.94557168    -11.58257045
  H     18.60999277      2.38149092    -14.84307915
  H     13.60865113      6.81128937    -11.97507423
  O     12.72885202      6.65524575    -10.36027970
  H     18.91737198      2.12537519    -13.34736546
  H     15.52323220      3.67437310    -11.92021986
  O     19.29732567      4.56352658    -11.44035443
  H     16.85533647      5.61418942     -9.01784736
  H     16.33052991      4.16611718    -10.67985090
  O     15.14739367      4.43658490    -13.50937713
  H     16.98769124      6.38269407    -10.36132342
  H     16.46769011      2.98012925    -16.17985575
  O     18.45341474      8.07481307    -13.04407736
  H     18.09560251      7.25468533    -18.55655705
  H     17.85456315      3.61379407    -16.35859179
  O     14.21942622      6.89718397    -12.71744445
  H     18.11166988      6.46424677    -17.22498753
  H     15.66699080      5.42688964     -6.67250496
  O     15.86383188      3.40382008    -11.05501570
  H     18.24434093      5.01401621    -12.98328026
  H     15.00269981      5.15879854     -8.04670053
  O     17.40963719      2.77855931    -16.16430704
  H     17.80546140      6.41229798    -13.44922876
  H     15.34321581      8.14177575     -9.68975130
  O     15.65633872      5.71212724     -7.58172844
  H     21.91837220      3.87948110    -15.21283871
  H     15.04458333      7.35410524     -8.39379255
  O     14.66807419      7.99155127     -9.01331041
  H     20.51868234      3.57328644    -14.63352856
  H     14.37116189      7.88068396    -14.18819211
  O     14.52868987      8.34820846    -15.02465558
  H     14.80014431      6.97326442    -16.30073468
  H     13.88266424      9.04900553    -15.07248282
          69
 Energy    -248.42992631863518     
  O     13.64748603     10.39914706    -16.05932591
  H     14.21367054      9.77736661    -16.53069284
  H     16.54720320      5.26128399    -15.05195006
  O     16.80682116      6.35293552    -13.55530527
  H     14.20386999     11.16174203    -15.85964487
  H     20.50819156      8.40889495    -13.13530772
  O     18.16832544     10.25551889    -11.49182452
  H     17.36144717      6.52818242    -12.78650862
  H     20.28847562      7.25013409    -14.11649109
  O     19.31085326      9.88437277    -15.65105551
  H     16.84123478      7.17493599    -14.06951212
  H     18.00660734     10.71784421    -16.73415188
  O     13.97995214      6.31068208    -16.76930756
  H     17.96731747     10.53452714    -10.58677722
  H     16.69562703     10.24477720    -17.40326962
  O     15.02700346      9.40030902     -9.49696481
  H     17.41789745     10.52256499    -12.04163260
  H     16.53528572      9.47495142    -14.14618487
  O     14.46648634      6.72047027    -12.16107181
  H     19.71472987     10.17228927    -14.82192274
  H     17.76561014      9.12373911    -15.02254314
  O     16.00957411     10.83853836    -13.09494047
  H     19.73678665      9.04954263    -15.89154629
  H     12.50866778      9.87151854    -14.86963684
  O     17.94152344      6.72510555    -17.35416395
  H     13.36438189      5.85673241    -17.33925431
  H     11.06669832      9.92300925    -14.30506340
  O     16.08234380      6.75304186     -9.81968165
  H     13.51668991      6.47043336    -15.92795057
  H     12.37089574      7.70865511    -14.32351051
  O     20.24499172      7.29274247    -16.07341374
  H     15.33596193      8.48577962     -9.51702365
  H     13.22556102      6.65576187    -13.58742898
  O     16.38586991      4.94084967    -15.95025471
  H     14.51459606      9.52873679    -10.30424972
  H     19.61493345     10.36586762    -12.47739872
  O     20.34812887      7.45788497    -13.17676355
  H     14.80977023      6.60425319    -11.26802792
  H     21.03993411     10.91685703    -12.71661629
  O     17.18782533     11.03192643    -17.14251428
  H     15.22074939      6.53621770    -12.74150919
  H     18.15999834      8.38539011    -11.36560287
  O     16.90288227      8.80097653    -14.73169344
  H     15.19144337     10.45409146    -12.74770895
  H     19.06292706      7.26961970    -11.91183582
  O     11.92986282      9.54724995    -14.15587921
  H     15.79671998     11.46353375    -13.79841475
  H     16.41903997     10.42294847     -9.11744842
  O     12.75533416      6.82816956    -14.41282462
  H     17.47682466      5.99288395    -16.91933727
  H     17.16968228     11.41550017     -8.21104860
  O     20.37128169     10.34825448    -13.08941628
  H     17.26312008      7.37766395    -17.54428877
  H     14.07134728      8.50743566    -12.14450776
  O     18.27035976      7.42455439    -11.37633566
  H     16.30399389      6.12515321     -9.13641425
  H     13.09557794      9.56865539    -12.70211304
  O     17.25717439     10.90573673     -9.01113362
  H     16.90472139      6.93746067    -10.30392679
  H     16.19706450     11.97082672    -16.04331385
  O     13.84530519      9.44846221    -12.10662140
  H     19.43220886      7.03772881    -16.54618839
  H     15.57234242     13.31607362    -15.60168548
  O     15.57899923     12.38169333    -15.41219882
  H     20.97077055      6.90193574    -16.55290730
  H     16.02070910      8.61371899    -16.25765129
  O     15.60426753      8.56756295    -17.13472023
  H     15.51841239      5.28066110    -16.20122114
  H     15.03402918      7.78629824    -17.12513946
          69
 Energy    -248.42964140720383     
  O     13.55441445     13.21068419     -9.61178724
  H     14.50443835     13.37566182     -9.67592744
  H     14.22453841     12.17224665    -13.06957252
  O     14.76356952     13.01405645    -17.20284034
  H     13.45413496     12.25692244     -9.52252770
  H     15.08274259     15.11319164    -14.73554044
  O     17.94389847      9.17925687    -10.83579669
  H     14.45241712     13.36194779    -18.03399476
  H     13.56873473     14.77257791    -14.68495506
  O     18.21263562     15.17451144    -11.34201166
  H     14.59475262     13.69822278    -16.52967409
  H     11.17018759     14.52353028    -13.89842329
  O     14.09344182     10.74595750    -15.67725011
  H     17.18995990      8.69258008    -11.22042856
  H     12.09748195     14.67737124    -12.67201761
  O     15.85317278      8.00647935    -12.00311228
  H     18.56210094      8.52928741    -10.51379622
  H     19.39990716     13.64107837    -13.77642911
  O     15.87431107      7.15918107    -14.72492617
  H     18.72624923     14.49408245    -11.81536587
  H     19.08326490     12.43670369    -12.87683505
  O     15.86952429     12.66089344    -12.78930399
  H     18.84355060     15.79130734    -10.98092647
  H     14.59828571     10.43173323     -9.21921641
  O     13.42211528      9.44822612    -11.97764016
  H     13.77171860     11.16865642    -14.86658230
  H     13.32404747      9.94178933     -8.49394740
  O     16.70154738      9.82726939    -15.19875228
  H     14.23457180     11.45601551    -16.31405481
  H     17.32113865     11.34968473    -16.17063784
  O     18.77066231     14.28333721    -15.45215008
  H     15.92219953      7.62394259    -12.88512103
  H     16.53684141     12.49596034    -16.84647242
  O     13.32543981     11.88292720    -13.29582224
  H     15.02331055      8.50171157    -11.98368592
  H     13.49629264      9.04946020    -15.10174859
  O     14.32550562     14.85719173    -15.27741791
  H     14.94374410      7.45095029    -14.72978244
  H     13.23889219      8.52125226    -13.67490405
  O     12.06518215     14.38359648    -13.59979029
  H     15.89549989      6.30017267    -15.13688272
  H     16.92394986     10.25795097     -9.67504920
  O     19.47829754     13.31945713    -12.86957231
  H     16.60975191     12.04447630    -12.87283323
  H     16.44100426     11.70510236     -9.40495474
  O     13.63337243     10.32808533     -9.30929392
  H     16.12616459     13.48934897    -13.21350051
  H     17.63326443     10.46902090    -13.76212574
  O     17.41709938     12.23135583    -16.54992884
  H     13.32118135     10.30014503    -12.42641729
  H     18.05595260     10.32223474    -12.26264893
  O     13.39304463      8.23802527    -14.58560338
  H     13.39435670      9.65341562    -11.03446550
  H     12.03069075     15.80358172    -10.39945931
  O     16.29917464     10.78112879     -9.15943068
  H     15.80430198     10.17042845    -15.32302323
  H     12.62420747     14.38738102    -10.48561141
  O     18.01696627     10.93628079    -13.00707607
  H     16.60140380      8.87162408    -15.11853939
  H     16.05922183     13.08487273    -11.04798968
  O     12.16041799     15.07294763    -10.99739785
  H     18.32756983     13.51925194    -15.86393626
  H     16.97460541     14.08238907    -10.33744882
  O     16.30940523     13.40742095    -10.16821272
  H     19.30530871     14.68796933    -16.12952185
  H     17.11657694     15.35512458    -12.92583807
  O     16.69381617     15.16643257    -13.77275499
  H     12.78733103     12.67762093    -13.37516707
  H     17.40497101     14.95319211    -14.39374220
          69
 Energy    -248.42945429846833     
  O     -1.07034276      3.88613030      2.86824739
  H     -1.71110474      3.46826406      2.27594586
  H     -1.03480255      8.17522188      0.38735543
  O     -2.95778830      5.28701784     -0.70153170
  H     -0.53893903      3.19249842      3.27774039
  H      1.63815061      1.62789859      0.84762614
  O      4.23412741      6.74289893      0.50914810
  H     -3.03247983      6.00211928     -0.05785253
  H      0.26994162      0.97054590      0.62334390
  O      1.76438407      7.36769351      1.66802744
  H     -2.06148749      5.37506446     -1.06236610
  H     -0.41573732      3.94583003     -2.42584455
  O     -0.37778524      5.43940126     -1.57725744
  H      3.86066727      6.48351886     -0.35201225
  H     -1.44022531      3.04441701     -3.11232733
  O      2.51049860      3.03675603      0.04311002
  H      5.03435267      7.22797890      0.32574439
  H      0.46902769      8.16953417     -1.47928854
  O      0.64458328      4.92130350      0.88016950
  H      2.67411268      7.23498152      1.37227082
  H      0.70520369      8.51684014     -2.97114398
  O     -2.64157890      7.40814851      1.15861749
  H      1.73218655      7.28402794      2.63037590
  H      1.83087664      3.51350399      4.03300760
  O     -0.99288663      1.26355112     -0.73075931
  H      0.00826068      5.28240712     -0.70089363
  H      3.00181217      4.29969744      3.39081994
  O     -1.32949815      6.56860564      3.37045156
  H     -0.01129396      6.26045672     -1.92331459
  H     -3.37595738      4.16118032     -2.12096529
  O     -2.66473930      2.93093590      0.85267331
  H      1.87388634      3.70388862      0.34541587
  H     -4.02387845      3.84179318     -3.48156415
  O     -0.19046033      8.50691146      0.06320742
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  H      0.70728049      1.23308231      4.41023398
  O      0.98418176      1.05229671      1.26756701
  H      1.03543583      5.74424603      1.20124307
  H      0.82998206      1.56923118      2.90509591
  O     -0.50943520      3.08512245     -2.86981683
  H      0.08138980      4.56935529      1.58055767
  H      1.33309790      3.22190548     -2.92739206
  O      0.82785754      7.83102970     -2.32124289
  H     -2.18137652      7.11837412      1.96738205
  H      2.75671675      2.95386091     -3.45306416
  O      2.30852775      4.34857702      4.06593062
  H     -3.29929771      8.04024193      1.43886392
  H      1.65993630      7.18533316      5.19884588
  O     -3.40133679      3.50853652     -2.83888171
  H     -0.69544089      1.81934658     -1.46137073
  H      1.68835656      5.92130736      4.30642234
  O      0.71777156      1.95812954      3.79171673
  H     -1.87959275      0.95622357     -0.96657224
  H      3.72017369      3.71413541      1.30525076
  O      2.26953654      3.42643475     -2.78115126
  H     -1.33073258      5.60156485      3.30474559
  H      4.28224290      5.11944265      1.53819278
  O      1.36561317      6.84080862      4.36069766
  H     -0.48306325      6.79146929      3.77179282
  H     -3.76690682      1.62292447     -0.34299281
  O      4.12987175      4.27497868      1.97755565
  H     -2.81932887      3.74678272      0.35802389
  H     -3.74387730      1.85948228     -1.85030005
  O     -3.74391037      1.15694664     -1.18761904
  H     -2.00083514      2.42716462      0.36025044
  H      2.78421485      5.25050716     -2.20715644
  O      3.05385758      6.10722580     -1.85961750
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  H      2.34936270      6.72972196     -2.08006497
          69
 Energy    -248.42941567312209     
  O     -4.47287260     -1.46412829      1.28620006
  H     -4.27304657     -1.27133118      0.35221400
  H     -1.48984602     -2.72875883     -0.32262360
  O     -1.32954730      3.94833817     -2.44231460
  H     -5.34510670     -1.84838577      1.30744086
  H     -2.22339098      4.81068174      6.05110290
  O     -2.45921353      1.55214850     -1.44104560
  H     -0.94899929      4.13104333     -3.29779088
  H     -2.12923111      3.55214803      5.15369294
  O      0.17904932      0.35620715      5.22967590
  H     -0.73170745      4.33778996     -1.78212935
  H     -1.97944227      7.65133542      0.90104731
  O      2.13154859      4.85082458      1.42969659
  H     -2.80566493      1.89020811     -0.60733625
  H     -2.29556617      6.26081826      1.50062000
  O     -0.65214747      2.99817974      1.31821767
  H     -2.08744249      2.31666409     -1.89940267
  H     -2.37143910      2.95181605      1.14381539
  O     -2.25486952      1.84242184      5.01344375
  H      0.84671566      0.99523018      4.92041460
  H     -3.55341260      3.59312951      0.33983936
  O     -3.70780468     -0.98750134     -1.27373272
  H      0.54215842     -0.07415626      5.99866686
  H     -3.38289480      4.44550603      2.29805502
  O     -3.28398520      0.67760917      2.64432696
  H      2.57405564      3.99324705      1.45373145
  H     -2.78608355      5.06802438      3.57927384
  O     -0.74861317     -0.52563230      2.74858547
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  H     -0.46051083     -0.99171544     -1.43563299
  O      1.91592694      2.18684623      4.28332513
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  H     -0.11472700      2.20853080      1.17589876
  H     -0.39532968      4.54844890      4.19162053
  O     -2.00996245      4.51965268      5.16909835
  H     -2.71743890      1.41707444      4.28031962
  H     -0.08785592      3.85875380      2.84539486
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  H     -3.08029605      5.67476483     -0.40371535
  O     -3.33047081      2.90152293      0.98175735
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  H     -2.90226663      4.67093690     -1.55314882
  O     -3.10556942      5.27854076      2.69280215
  H     -2.96697668     -1.58851544     -1.42560118
  H      0.64955785      0.43101089      0.06408908
  O     -0.13899797     -0.08201349     -1.40662315
  H     -3.42575000      1.44349545      2.07141626
  H      0.41658972      0.21839392      1.59134162
  O      0.31692200      4.35733519      3.57151577
  H     -3.78174707     -0.05536621      2.25955577
  H     -1.37010922     -2.06726171      1.90172545
  O     -3.51223677      4.93878494     -0.85494794
  H     -0.40317040     -0.34708846      3.63224770
  H     -2.79686566     -2.42892069      1.45473175
  O      0.91866398      0.73329864      0.94475014
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  H      3.92172108      1.75970907      1.34513395
  O      3.12238521      2.15376575      1.68486864
  H      2.46545454      2.11544650      3.49492024
  H     -0.51083678      5.73738253      0.00045951
  O      0.09879871      5.08982323     -0.38118516
  H     -1.16937370     -3.50069094     -1.62483133
  H      0.91592587      5.10704931      0.14070657
          69
 Energy    -248.42938334581902     
  O     14.85691575      9.05125711    -15.64032207
  H     15.37459394      9.05121994    -16.45487582
  H     21.47354699      3.83286523    -15.65256441
  O     13.99737687      2.77261797    -15.92441453
  H     15.40829464      8.63986673    -14.96787162
  H     17.76873068      6.88760437    -16.24987533
  O     19.66851849      5.43210043    -17.70815181
  H     14.80994412      2.60882230    -16.43768969
  H     18.68067588      7.98167862    -15.64808698
  O     17.49316444      4.32357701    -19.17450870
  H     13.38823031      2.07148460    -16.14000289
  H     15.82475691      5.53286478    -16.11516747
  O     13.55316453      6.44346667    -10.25421781
  H     19.33074564      6.28635020    -17.40964039
  H     17.08865718      4.77374950    -15.57970782
  O     14.59216602      3.84992109    -13.36169367
  H     18.96387492      5.02536491    -18.22847963
  H     12.79814808      6.97907593    -14.68035325
  O     16.27678377      7.40542630    -13.55897100
  H     16.86295745      5.06662750    -19.16633768
  H     13.33040192      8.00625432    -15.68837041
  O     18.03717428      3.12120458    -15.22532604
  H     17.58667445      4.05790978    -20.08612823
  H     15.99173098      3.87650756    -10.07341348
  O     14.31124382      3.68950421    -10.53665467
  H     14.50243615      6.65526639    -10.31545974
  H     17.22848641      3.70075352     -9.15559147
  O     18.92148970      8.29761170    -13.79060233
  H     13.18175119      7.01647126     -9.58922793
  H     13.59340784      6.03655071    -16.50445023
  O     16.32118094      2.50695764    -17.27316911
  H     14.19412952      4.73209516    -13.35282156
  H     13.95150883      4.51630201    -16.64207188
  O     20.60887199      4.20561144    -15.50574242
  H     14.35911728      3.43376253    -14.19967529
  H     18.71627472      5.14397993    -13.11094923
  O     18.36981312      7.61467950    -16.48365995
  H     17.12056062      7.87539351    -13.54642055
  H     19.94167210      5.21886102    -14.05028744
  O     16.66010528      5.63431071    -15.63855366
  H     16.38277074      6.69275261    -14.20909439
  H     17.32374196      3.89190770    -11.75118271
  O     12.71529044      7.26281080    -15.59959957
  H     17.83491130      3.22815689    -14.28549884
  H     16.36846542      3.95014023    -12.96666176
  O     16.93213516      4.10860773     -9.96409062
  H     18.96289283      3.36728945    -15.34371230
  H     16.36071242      6.93020065    -11.62872477
  O     14.20096800      5.40448138    -16.91858911
  H     13.88908567      4.54089743    -10.36528499
  H     16.61887110      5.95656889    -10.44972234
  O     19.45970482      5.70380541    -13.36886577
  H     14.30001885      3.57586600    -11.49673421
  H     15.06581211      6.02803281    -18.38704799
  O     17.30358615      3.95191752    -12.71350042
  H     19.47751122      8.86635152    -13.26600189
  H     15.90916336      7.25879201    -18.78751162
  O     16.21965698      6.80399676    -10.68370422
  H     19.18171700      7.37795786    -13.59074066
  H     14.48371746      6.91914986    -13.19550085
  O     15.71610937      6.34674952    -19.03030537
  H     16.97584572      2.55407550    -16.56055362
  H     13.44565004      6.51006342    -12.11892348
  O     13.64553450      6.45603232    -13.06164212
  H     16.66284082      3.07305119    -17.97469220
  H     17.25252419      8.52714321    -17.51918077
  O     16.49851095      8.90839769    -18.00009630
  H     20.34426389      4.64512993    -16.33460829
  H     16.82901044      9.66282104    -18.48170802
          69
 Energy    -248.42937134470151     
  O     15.46492773     11.75927752    -10.78415625
  H     15.92063501     11.53113935    -11.60775586
  H     16.99287324      5.04976429    -14.35802676
  O     15.20401735      7.14477004    -15.02504620
  H     15.89076001     11.22029804    -10.10867313
  H     19.13804676      9.66585590    -11.62210212
  O     14.96911195      5.39400042     -9.91656185
  H     15.35527619      6.24320216    -14.71900216
  H     18.94665158      8.21630569    -11.14585335
  O     18.59448701      6.58717688    -12.03066946
  H     14.31504882      7.41971838    -14.75657074
  H     17.10669877      7.61256476    -12.44053061
  O     11.03193071      6.54456190    -11.64749701
  H     14.90691142      6.35822471     -9.93341931
  H     15.96221204      7.77255055    -13.48742333
  O     12.82297383      8.28471408    -14.24909730
  H     14.10792578      5.05464633    -10.19080769
  H     13.86329178     11.73627709    -11.48183521
  O     14.92325397      8.16358914    -10.27816739
  H     18.78369859      6.35230346    -12.94872824
  H     12.51455168     12.43495020    -11.77237532
  O     18.60764730      8.56753661    -15.27925122
  H     18.14531672      5.82303355    -11.64476788
  H     14.28769451      4.35604845    -13.79103943
  O     11.29069941      5.97470827    -14.45749476
  H     11.44571240      7.41023157    -11.52946825
  H     13.17703749      4.28692397    -12.71045825
  O     18.64764462      5.92567117    -14.77461463
  H     10.94466529      6.40991092    -12.59927158
  H     13.67330284     11.23850691    -13.79042975
  O     16.15579781      9.41957984    -16.30514163
  H     12.76096256      8.46360576    -13.29975109
  H     13.63286850      9.95133746    -14.61490861
  O     16.17664945      4.73355385    -13.94748918
  H     12.19344501      7.57812847    -14.44038804
  H     17.31064119      3.56902118    -10.85339104
  O     18.91659975      9.13482089    -10.84766831
  H     15.35470359      8.10033847    -11.14584518
  H     16.30598915      4.74121536    -10.73197188
  O     16.28682980      8.08349925    -12.63341457
  H     15.49661486      8.72733033     -9.74600861
  H     11.96552766      5.18345434    -11.09843494
  O     13.03204699     11.66250667    -11.98441722
  H     17.82230753      8.95081708    -15.69634783
  H     11.97925446      3.76156327    -10.49196118
  O     13.33326782      4.36810319    -13.66035977
  H     18.93010400      9.22092318    -14.65011083
  H     19.66919319     11.40671109    -13.51217948
  O     14.08593842     10.80330406    -14.54746727
  H     12.02401236      5.36602125    -14.25332923
  H     18.26343791     10.79477875    -13.30927253
  O     17.04333977      4.38742406    -11.26238838
  H     10.74711068      5.54411987    -15.11122669
  H     12.60557335      9.86745391    -11.63644327
  O     12.53287178      4.41372484    -10.91354451
  H     18.61273871      6.87035293    -15.01479462
  H     13.34185833      8.65488073    -11.01011879
  O     19.21583313     10.59296394    -13.30613006
  H     19.31460958      5.53143727    -15.33043005
  H     17.24598898      9.95624225     -8.28880535
  O     12.57217413      8.90780837    -11.54005574
  H     15.81296706      8.56441660    -16.00250322
  H     17.62469091      9.61631188     -9.74646251
  O     16.88290323      9.86171397     -9.16548352
  H     15.52277210     10.06788225    -15.98660970
  H     15.75716557     10.88833783    -13.75503829
  O     16.50950928     10.77142862    -13.16194205
  H     16.40718817      4.57418027    -13.02262073
  H     16.49046463      9.83429219    -12.91139674
          69
 Energy    -248.42935673528112     
  O     11.82816845     10.08674296    -10.89187557
  H     11.35169393      9.35730361    -11.30887824
  H     15.42808918      5.91460898    -16.93422400
  O     13.67483442      7.16037273    -14.82956961
  H     12.15673523     10.63585341    -11.61348651
  H     17.27563916      6.28741454    -15.55284364
  O     17.77535694     11.29451282    -11.36662830
  H     14.44447202      7.72083376    -14.64367519
  H     17.30613818      7.14347937    -16.85332033
  O     17.32881463      8.84729433    -17.81841557
  H     13.86874497      6.64630255    -15.62171572
  H     15.47961713     11.65041527    -15.55725826
  O     11.75311181      9.08478773    -14.54126010
  H     16.86275490     10.98812567    -11.50943033
  H     14.82591767     13.02698607    -15.81210571
  O     16.33580899      7.01384238     -9.72615954
  H     17.72031581     12.09872401    -10.85723698
  H     16.42603520      7.89502128    -13.83865296
  O     13.39065136      6.44121255    -12.18547232
  H     17.78946218      8.91183858    -18.65047940
  H     15.69436893      9.11943207    -13.17978125
  O     15.30437973     10.25902100    -11.81653309
  H     16.37941656      8.75834883    -18.02801298
  H     20.63277679      7.72972297    -12.99683521
  O     14.69842267      8.50185942    -18.23105585
  H     11.21423315      8.70143033    -13.84120768
  H     19.48949480      8.74251000    -13.24990731
  O     15.91698085      5.20530352    -11.64507437
  H     12.41043029      8.40175557    -14.74999467
  H     10.14802570      7.12792313    -11.93178286
  O     16.87091123     10.52355089    -15.64641543
  H     15.54968810      7.57035605     -9.66867726
  H     11.67738948      7.16639379    -12.12636073
  O     14.47748498      5.84561810    -17.14069029
  H     17.08963000      7.60069369     -9.88743246
  H     18.35510960     10.49919354    -14.44788197
  O     17.06368763      6.28110017    -16.49530851
  H     14.16260913      5.90357806    -11.97199020
  H     18.63428093     10.77772877    -12.95381831
  O     14.65258197     12.15300347    -15.47069277
  H     13.46752452      6.64044904    -13.13119017
  H     18.26912564      6.81093204    -13.35093968
  O     15.81725767      8.62841538    -14.00209365
  H     14.93190624      9.63824338    -11.17566367
  H     17.00084888      5.95017263    -12.99063101
  O     19.69519783      7.86227497    -12.88521597
  H     14.56057638     10.65048486    -12.29628447
  H     18.28357989      9.58757800    -10.62408075
  O     10.86811556      7.69764442    -12.19226692
  H     14.06139836      9.09517420    -17.80704065
  H     18.94462746      8.31880593    -11.17838866
  O     18.98609661     10.33435124    -13.73722539
  H     14.46743905      7.60537162    -17.96443907
  H     12.39202246      9.91040003    -16.18789765
  O     17.44743452      6.43517881    -13.69585941
  H     16.04600205      4.32289014    -11.30736033
  H     13.50792813     10.93512888    -16.45709974
  O     18.44128210      8.65688282    -10.42842715
  H     16.11085690      5.81888707    -10.91092862
  H     13.76196341      7.75276480    -10.88530283
  O     12.99890712     10.22628860    -16.86723790
  H     17.11596985     10.06602887    -16.46103386
  H     13.20118903      9.05147217    -10.26056398
  O     13.95630404      8.44561595    -10.23926849
  H     16.47360936      9.84490966    -15.07643187
  H     13.61382608     11.63676893    -13.98025558
  O     13.15036135     11.15951025    -13.28060404
  H     14.35179384      5.02146959    -17.60200327
  H     12.65668414     10.45362425    -13.72294616
          69
 Energy    -248.42930537579207     
  O      0.23172140      0.97572980      4.47843293
  H     -0.22831318      1.81879100      4.58220210
  H     -0.46909890      1.83658383      0.36067542
  O      1.42053694     -2.26662143     -2.36211423
  H     -0.04578112      0.41718878      5.21837591
  H     -2.36612259      0.35289027      6.08276971
  O     -0.86809625     -0.67505650      6.52366589
  H      0.57098679     -1.85926600     -2.14053575
  H     -2.61767590      1.72724300      5.42133408
  O     -0.80757956     -1.04360484     -1.18374782
  H      1.47550862     -3.05478682     -1.80798693
  H     -3.25539606      0.47203904     -0.72611905
  O      1.50326203     -4.24356138     -0.26622377
  H     -0.52269829     -0.92405798      7.37645722
  H     -3.59199675      0.98290037     -2.15022387
  O      3.01815895     -2.29243680      0.89730790
  H     -1.22180749     -1.48646127      6.11572983
  H     -2.59552846      0.08700517      3.77771809
  O     -2.89311620      3.16059758      2.43593277
  H     -0.23396935     -0.50648665     -0.61771383
  H     -1.17255217      0.35867301      3.29723301
  O     -4.45093742     -2.83465125      3.97621337
  H     -1.51919587     -0.46492655     -1.48033157
  H     -1.11402775     -2.57470501     -0.27211798
  O      3.06521107     -0.39563945     -1.26335407
  H      1.95959073     -5.07921367     -0.21454796
  H     -0.31164519     -3.84490418      0.06936667
  O     -5.41049388      1.66818078      2.24790837
  H      2.05437005     -3.59596739      0.20867123
  H      0.85462781     -1.44825687      2.79699601
  O     -5.19268584     -0.09400985      4.27320413
  H      2.64915402     -1.78690557      1.63332880
  H      1.29201387     -0.08343925      3.38220999
  O     -1.29454833      2.33601256      0.32250935
  H      3.20402674     -1.64540591      0.20582258
  H     -1.46902142      4.03076621      5.07614973
  O     -3.03646334      0.88328001      5.63398375
  H     -3.74357149      2.72267298      2.33215574
  H     -2.03320284      3.19323218      3.90342189
  O     -2.86782052      0.79146131     -1.56093905
  H     -2.34115534      2.90281592      1.68155373
  H      1.12082648      0.13207187      1.17373575
  O     -1.99588288     -0.07482364      3.04083439
  H     -5.08283026     -3.53535386      4.11894685
  H      1.69299596      0.40249857     -0.23726160
  O     -1.14287527     -3.38914192      0.25253813
  H     -4.18896361     -2.88706939      3.03980368
  H     -1.34518006     -2.90930612      4.46401729
  O      1.52748991     -0.75344074      2.72783883
  H      3.72915627     -0.06316619     -1.86076668
  H     -2.80509469     -2.85740200      4.93697119
  O     -1.56150930      3.13811978      4.75589008
  H      2.53840368     -1.04746072     -1.75991583
  H     -0.77895789     -2.88617259      1.96279127
  O      0.91875522      0.54348612      0.32254556
  H     -6.27223548      2.07492346      2.23599037
  H     -1.21578278     -1.71247747      2.87406834
  O     -1.89508652     -2.82352553      5.25582800
  H     -5.40245155      1.04919807      3.00150188
  H     -2.93309752     -3.18058013      0.93795125
  O     -0.62023408     -2.47629919      2.82213322
  H     -4.56039100      0.26442996      4.91348330
  H     -3.82979710     -1.92784136      1.06613543
  O     -3.73760971     -2.84635511      1.35199245
  H     -5.00207122     -1.03595639      4.19127224
  H     -4.44797051      0.50353292      1.22208995
  O     -3.74557111     -0.05716433      0.86754140
  H     -1.78286113      1.97272332     -0.42461949
  H     -3.02663448     -0.01390408      1.51582887
          69
 Energy    -248.42928272293523     
  O     14.50176813      3.72240720    -10.09790614
  H     14.31890076      2.78297118     -9.97237471
  H     16.13597571      7.13748821    -15.74129046
  O     12.53058302      4.64344541    -11.82854595
  H     13.79732942      4.06836167    -10.66554599
  H     17.95834063      5.37395908    -16.26499985
  O     16.66143294      3.49765721    -11.84264226
  H     12.95056075      5.01879892    -12.61331130
  H     16.88774303      5.01467808    -15.21414226
  O     18.68646122      7.31611950    -13.47848432
  H     11.99839382      5.34808223    -11.43932262
  H     14.85370494      7.32446706    -11.42677809
  O     11.68168443      7.63887511    -13.56018236
  H     17.27399722      4.20899753    -11.61545910
  H     15.97760095      7.82735050    -12.37137224
  O     12.56299944      1.90577642    -12.54254931
  H     15.91755281      3.58584256    -11.22917446
  H     14.11008419      7.42362624     -9.55074082
  O     14.04279121      0.94098436    -10.28218265
  H     18.32680659      6.79040972    -14.20209669
  H     12.85315813      7.80142037    -10.37608298
  O     17.05185292      9.30391402    -12.53071084
  H     18.60667005      6.76437661    -12.68800515
  H     13.66602923      1.57584911    -13.85709486
  O     16.41052459      9.29573630     -9.79837950
  H     12.17449122      8.45447102    -13.37448429
  H     13.99856076      0.80503874    -15.15672709
  O     13.90891537      5.83257081    -14.00196263
  H     12.32224725      7.01473401    -13.91717742
  H     11.27452197      7.25502083    -11.91760189
  O     15.37819023     10.17804290    -14.57714479
  H     12.91156935      1.50622375    -11.73576861
  H     10.35737099      7.19815512    -10.66885901
  O     15.34802282      7.69103508    -15.67615740
  H     12.38351469      2.82874890    -12.32233105
  H     16.95978816      6.21188374    -11.51238914
  O     17.43020428      5.74161756    -15.55963675
  H     14.00115257      0.18313944     -9.70565210
  H     17.92894168      6.23804396    -10.31389755
  O     15.44560657      7.05302804    -12.14076245
  H     14.77470525      0.78344124    -10.90537756
  H     15.32060383      2.97559989    -14.62521884
  O     13.75758216      8.07568641    -10.18194897
  H     17.73929388      8.73740219    -12.91458023
  H     16.11505414      3.73737347    -13.53637835
  O     14.36957787      1.39562645    -14.50678568
  H     16.59395851      9.74850505    -13.25468699
  H     15.55043510      0.84373611    -13.03680573
  O     11.23641827      6.99691205    -10.97801751
  H     15.46449207      9.11758609     -9.82926023
  H     16.42632437      1.64779308    -12.06088484
  O     17.82226642      5.88927330    -11.20715763
  H     16.69481952      9.42526466    -10.71500795
  H     15.87575157      6.32679940     -8.59381152
  O     15.77285504      3.80830187    -14.44090795
  H     14.43917273      5.07380165    -14.27875353
  H     14.85625265      5.25593276     -9.07243891
  O     15.99241176      0.79112998    -12.18102793
  H     14.45421108      6.31313177    -13.35414703
  H     17.26081429      7.95562780     -9.04237451
  O     14.93487926      6.14299968     -8.69818192
  H     15.36581175      9.32060746    -15.03841074
  H     18.19208988      7.36155132     -7.95912464
  O     17.63852084      7.12586909     -8.69849339
  H     15.34455675     10.85502580    -15.24764551
  H     13.99178562      9.97034900    -13.27855066
  O     13.23868610      9.74708337    -12.71723335
  H     14.68320869      7.12325886    -15.27098874
  H     13.59069306      9.45804764    -11.87128219
          69
 Energy    -248.42901462034445     
  O     10.06800567      9.74212059     -8.84221886
  H     10.27148678     10.40333991     -9.52732977
  H     13.61387424     12.13309565    -14.01816098
  O     13.49138928      8.79623949    -16.65818223
  H      9.19132744      9.93859592     -8.52279505
  H     16.82997002      8.97498753    -11.03375503
  O     11.06808125      7.71003871    -10.59821531
  H     13.88768545      8.65315469    -17.51362292
  H     18.13348843      9.17155473    -10.22351436
  O     14.09811651      8.25638180    -13.95776680
  H     13.18637460      9.72084911    -16.64397032
  H     14.99428285      7.81203772    -10.88098813
  O     13.68462297     12.51449438     -7.86116186
  H     11.97570657      7.69425648    -10.26587965
  H     15.18499431      7.85659060    -12.42038375
  O     12.43311911     11.32226063    -16.57486211
  H     10.59033972      8.28266222     -9.98690042
  H     13.84469918     15.56849692    -12.25240588
  O     11.47691684      8.56930184    -13.15746375
  H     14.01188553      8.29902427    -14.91873495
  H     14.60392794     14.26022185    -11.93506097
  O     13.49962258     10.69749992    -11.03761393
  H     13.19382714      8.29460822    -13.60783163
  H     13.60106968      9.06664437    -10.26343557
  O     12.63931032      9.75947147     -7.57513898
  H     14.46977969     12.19117406     -8.33311757
  H     13.44155190      8.61447452     -8.81627444
  O     16.11120517     13.50587789    -11.46935228
  H     13.99886255     12.91842530     -7.05512381
  H     17.53103883     10.76575839    -12.11848266
  O     10.79530651     11.51627253    -10.76460408
  H     12.64398715     11.96535297    -15.88710253
  H     18.22889549     11.27224080    -13.40216565
  O     12.91880212     12.79292867    -14.17395116
  H     11.47876620     11.18526466    -16.51942935
  H     11.42668076     11.85697587    -13.73174709
  O     17.46071264      9.64384043    -10.70639938
  H     11.21601135      9.49743188    -13.18925855
  H     10.19421210     11.12398593    -14.31853219
  O     15.66130792      7.85994333    -11.58185894
  H     11.25320667      8.22354984    -12.28104347
  H     16.30235551     10.87556358     -9.73698624
  O     13.72863421     14.62654282    -12.15174223
  H     12.58011509     10.98339841    -10.99168017
  H     14.83327750     11.23413227    -10.04293456
  O     13.67889421      8.28505571     -9.69390465
  H     13.82896432     10.80732086    -11.93789619
  H     14.59786327      9.95477369    -13.73051497
  O     17.43907727     11.36717547    -12.87557473
  H     11.72649270      9.74387952     -7.89244121
  H     15.68261129     11.03151990    -13.38440378
  O     10.67498456     11.29252526    -13.49942302
  H     12.91477649     10.68144626     -7.61390714
  H      8.88043211     10.61896896    -16.53670847
  O     15.61439010     11.51844767     -9.53747517
  H     15.96784931     12.94902759    -10.69217470
  H      9.99891624      9.67719231    -16.02670531
  O     14.74063560     10.89061345    -13.53063016
  H     16.64711731     12.96482791    -12.05917610
  H     12.67987167     14.07337968    -10.64156050
  O      9.70272644     10.60517638    -16.05539659
  H     10.58988735     11.52375730    -11.70858223
  H     12.65274818     13.41974207     -9.22880808
  O     12.09588456     13.74673097     -9.94645459
  H     11.12751340     12.38841114    -10.49985201
  H     11.68224301      8.19070078    -16.21777133
  O     10.80093766      8.13564740    -15.82993476
  H     13.10033639     13.51385766    -13.56047144
  H     10.94436956      8.10501063    -14.87248783
          69
 Energy    -248.42895446221317     
  O     13.27631767      9.90837507    -16.20869079
  H     13.11263518      9.64997057    -15.28275916
  H     16.72752116     10.13844959    -17.50248020
  O     16.64173551      5.80230525    -13.07250856
  H     12.49515133     10.36874655    -16.50449388
  H     17.08373180      7.73056585    -15.21575309
  O     18.84703428      9.99123075    -12.87912913
  H     16.58288752      5.01615911    -13.62740983
  H     15.55084751      7.64019700    -15.52217772
  O     13.72202738      5.23492543    -15.10085107
  H     16.38770896      6.54059834    -13.65079691
  H     13.29161030      9.42878418    -12.88591140
  O     16.25572419     10.11267454     -9.38041144
  H     17.90047693     10.14404975    -13.03126775
  H     12.66902205      8.15192850    -13.46559038
  O     14.82104395      6.73308200    -11.23692279
  H     18.96326747      9.03178102    -12.83112797
  H     19.13184879      8.66926016     -9.93467420
  O     16.19478280     10.20067115    -13.48491040
  H     14.53407447      4.71569973    -15.12177236
  H     18.20639966      7.47534377     -9.65072190
  O     17.57761280      5.53097227    -16.95587040
  H     13.82030158      5.91496735    -15.78171544
  H     12.99075267      5.88724029    -13.67954689
  O     16.40000027      7.25972080     -9.02287529
  H     16.32052760      9.18693587     -9.11311819
  H     11.74808007      5.90519724    -12.75827312
  O     18.91934195      7.51966765    -15.51721790
  H     17.15397293     10.37917651     -9.61036228
  H     18.03258538     10.69908906    -15.82497612
  O     16.28636783      3.95058508    -15.15929950
  H     13.98257558      6.54287311    -11.67618433
  H     19.07055751     10.36598201    -14.74376114
  O     17.30906796      9.64077651    -18.09694674
  H     15.50654562      6.34751945    -11.80290489
  H     19.20881508      7.28249145    -11.76792916
  O     16.20062141      7.82864357    -14.83513057
  H     15.60212347     10.11372668    -12.72857447
  H     18.27461146      6.62010242    -12.79559221
  O     12.83618776      9.08115625    -13.66304250
  H     16.14980530      9.35598478    -13.96281242
  H     19.61242522     11.26078199     -9.97331794
  O     19.06480744      7.71068988    -10.02379245
  H     17.14186814      6.03112183    -17.65507366
  H     18.99289413     10.47941048    -11.15269692
  O     12.59371588      6.32160837    -12.90290030
  H     18.19596232      6.14400142    -16.53464430
  H     16.23163506      7.17939839    -19.77024777
  O     18.90993970     10.32294713    -15.69693428
  H     15.79645441      7.02161793     -9.74499438
  H     16.65275840      8.12214996    -18.61719171
  O     19.06005623      7.17888822    -12.71994156
  H     16.14201980      6.73460545     -8.26886330
  H     15.00688680      9.91443685    -10.67072478
  O     18.97742442     10.58171426    -10.18676883
  H     19.03758293      8.46806047    -15.66167665
  H     14.60161212      8.60274351    -11.37216758
  O     16.23368559      7.26683983    -18.82074621
  H     19.16298982      7.33857903    -14.59873202
  H     16.01506052     10.91604429    -15.14175470
  O     14.49577994      9.56262047    -11.41457709
  H     16.50597005      3.03875763    -15.33012537
  H     14.99961299     10.74046962    -16.25946244
  O     15.91613362     11.00088883    -16.10133273
  H     16.75256078      4.48032462    -15.83086352
  H     13.88038755      8.23731866    -16.76092470
  O     14.27815459      7.35907111    -16.82341944
  H     18.18928435      9.76616224    -17.73511619
  H     14.84558391      7.33051546    -17.60457050
          69
 Energy    -248.42890114256119     
  O     12.81953507      7.54066160     -9.78417286
  H     12.10624422      7.52951885     -9.15315864
  H     15.09486948      7.61095319    -16.39068897
  O     16.80058686      5.23735502    -13.57716064
  H     13.45579485      8.21770064     -9.48443664
  H     19.57682372      7.56327357    -16.66618879
  O     14.66662384     11.29786531    -11.03468748
  H     16.03922784      4.74454910    -13.25180678
  H     18.93488888      7.32121654    -15.27943522
  O     16.97806066     11.55614846    -12.74501453
  H     16.80778853      5.14335825    -14.54371307
  H     15.57630759     10.36219304    -15.33722593
  O     11.01192328      7.78402648    -15.77137064
  H     15.46341560     11.48584219    -11.54291691
  H     15.77447102     11.42476415    -14.24326936
  O     17.01384954      7.59802362     -9.62603873
  H     13.97011627     11.15812939    -11.68902433
  H     14.87266034      7.81965213    -12.95030952
  O     12.93151213      6.03001096    -14.45009679
  H     17.33753750     10.70505782    -12.44363525
  H     16.06672786      6.88232616    -13.36324535
  O     12.99152935     10.62720898    -13.21445175
  H     17.66979772     12.20205600    -12.62221096
  H     14.22040162      6.31313794    -10.11836558
  O     12.99188608     10.79934504    -16.79690476
  H     11.45588639      7.89728834    -16.62210066
  H     14.78632099      5.30029377    -11.13081441
  O     16.80448501      5.31280063    -16.31605657
  H     11.48731662      7.08042075    -15.31618794
  H     13.75365324      4.84614857    -13.35455247
  O     16.31602383      8.80348261    -15.78017258
  H     16.37295592      6.93451761     -9.93720628
  H     13.87939406      3.45065751    -12.70764575
  O     14.47910591      6.90587620    -16.63853116
  H     17.50824387      7.18523415     -8.92233215
  H     17.64189096      8.63889836    -11.04663272
  O     18.73875488      7.47113072    -16.22173491
  H     13.50882539      6.29905874    -15.17929259
  H     17.00999010      8.64847769    -12.44136976
  O     15.15479412     11.13003429    -14.92159668
  H     12.93590469      6.74269741    -13.79058303
  H     18.77793662      7.72165372    -12.95255170
  O     15.76315108      7.79977977    -13.32007421
  H     12.17633361     10.64076349    -13.73134976
  H     18.39085705      6.29662992    -13.40971628
  O     15.03082491      5.86073277    -10.38671795
  H     13.72075002     10.79338272    -13.82952613
  H     12.39066507      8.56115306    -18.98122847
  O     14.27050861      4.32087136    -12.72160306
  H     12.22731914     10.81277586    -16.20689630
  H     12.79893912      9.29335557    -17.68008679
  O     17.73900813      9.02963387    -11.92421926
  H     13.74927689     11.06186214    -16.26071621
  H     14.73244598     10.05018447     -9.75103387
  O     19.02750459      7.01036690    -13.55406279
  H     17.49175656      5.97554731    -16.45750118
  H     15.57749053      8.85425489     -9.22861902
  O     12.59863073      8.41976163    -18.06178113
  H     15.97049135      5.73066183    -16.56900070
  H     10.83199680      9.43032701    -15.18382805
  O     14.72778085      9.29886797     -9.13816157
  H     17.18847723      8.47484315    -16.02856921
  H      9.91941418     10.66278934    -14.97418037
  O     10.82904473     10.37809739    -14.95999276
  H     16.13332377      8.46644031    -14.88667624
  H     13.02721658      8.91151720    -12.71944941
  O     13.11850259      7.96854424    -12.52434398
  H     13.84841773      7.31089343    -17.24572127
  H     12.93227801      7.83357848    -11.58740067
          69
 Energy    -248.42872691348592     
  O     14.79146580     11.47942131    -16.32468763
  H     14.31899269     12.27845868    -16.55081605
  H     20.57988591      7.30223286    -15.32307567
  O     15.03128725      4.58477392    -17.07737529
  H     15.24796974     11.65593892    -15.48787615
  H     18.10416095      8.88895344    -16.17657395
  O     16.88534812      7.59453148    -11.76166096
  H     14.91387504      5.48332091    -17.42158378
  H     19.53688980      9.14234968    -16.69078372
  O     20.74359185      7.81003449    -17.17356614
  H     14.65198772      4.60535383    -16.19129366
  H     16.21055981      7.49585865    -16.43630884
  O     18.75485094      6.62602957    -18.58877366
  H     17.80927496      7.86793342    -11.80980745
  H     16.42088730      8.14024137    -15.02859785
  O     14.01178581      7.04515526    -11.27377183
  H     16.42883808      8.13597186    -12.42449106
  H     13.09738855      8.66244333    -15.57133723
  O     14.17093242      5.08366995    -14.41333935
  H     21.53474856      7.81860440    -17.70491729
  H     13.76898318      9.84061589    -16.32949854
  O     15.60255087      9.01096382    -13.71638232
  H     20.06202684      7.34652066    -17.69414713
  H     15.15702680      4.38012321    -12.00714348
  O     18.18522916      5.33223938    -15.12594624
  H     18.35169190      5.79092316    -18.32254795
  H     14.37851397      3.43546050    -11.06906934
  O     18.55444791     10.77604291    -13.88544005
  H     18.05813237      7.16544514    -18.98069055
  H     15.42487057      7.63899574    -18.50191606
  O     17.63711674      4.16525510    -17.62386767
  H     13.98378986      6.07943889    -11.26548145
  H     14.31244750      7.87455833    -17.40938886
  O     20.31079531      7.00087680    -14.44784983
  H     14.94354710      7.27441318    -11.18313270
  H     20.24073581      8.61337913    -11.75719354
  O     18.73851645      9.59155349    -16.39017850
  H     15.06939396      5.22524254    -14.08001279
  H     19.81206577      7.99003269    -13.10235067
  O     16.86205738      7.65897727    -15.74190802
  H     13.74289599      4.59984366    -13.70068171
  H     16.71914908      5.93854689    -12.47356774
  O     13.31643548      8.99714032    -16.44920931
  H     14.69424682      8.68490893    -13.78345793
  H     17.21078317      5.02643167    -13.63255264
  O     14.27925317      4.20241737    -11.62716595
  H     15.60501505      9.97305009    -13.70056805
  H     17.57652729     10.36982431    -17.56646945
  O     14.96131246      7.24320166    -17.75467202
  H     18.11903301      4.79352743    -15.92219742
  H     16.12477138     10.89620448    -17.58942651
  O     19.50222190      8.53374421    -12.35589991
  H     17.74148280      6.17103827    -15.33602929
  H     13.29741180      7.57888275    -12.90381675
  O     16.56243021      5.09367800    -12.91924658
  H     18.86827898     10.08157802    -13.29501668
  H     13.43836711      6.83824417    -14.23562978
  O     16.83827570     10.58306212    -18.15566412
  H     18.71538991     10.45073531    -14.78294509
  H     16.99846219     11.48410725    -13.86315672
  O     13.20304289      7.69837072    -13.86151197
  H     17.76012059      3.31323320    -18.03298743
  H     15.97660129     12.41561009    -13.16309225
  O     16.06933107     11.78282537    -13.86984032
  H     16.68231303      4.25754854    -17.45005445
  H     16.74907090      9.19162149    -19.18043130
  O     16.69218596      8.34551440    -19.66036508
  H     19.67092028      6.29434293    -14.61129006
  H     16.59851369      8.55852017    -20.58492701
          69
 Ord_Energy   -248.428696    
 O   -5.19731569       1.13711214       6.68505907    
 H   -4.59396029       1.00834918       5.94297314    
 H   -6.06674194       1.29142857       6.29853153    
 O   -2.41823864       3.69875598       5.45138693    
 H   -3.13195109       3.73461819       6.10656786    
 H   -1.81628549       4.42107534       5.66921234    
 O   -1.11654150       6.12232971       6.07391787    
 H   -1.65846300       6.71724558       5.52746201    
 H  -0.238552645       6.49447870       6.09468126    
 O   -6.54378080       4.99513960     -0.156360894    
 H   -6.87918425       4.18416643      0.264734507    
 H   -6.71001339       4.90665531      -1.09134972    
 O   -9.55892467       5.54491854       3.63202524    
 H   -8.93461132       5.89515686       2.98068976    
 H   -9.61255550       4.59488821       3.47770333    
 O   -8.93346786       6.55249548       6.03303242    
 H   -9.70763874       6.69136190       6.57133341    
 H   -9.23838997       6.20972395       5.17223263    
 O   -7.10126829       8.60503578       5.21240854    
 H   -6.31111193       8.34734154       5.70469379    
 H   -7.79951191       8.00770664       5.50525999    
 O   -3.11588645       5.17767954       3.15291023    
 H   -2.98452902       6.05014944       3.55324697    
 H   -2.84460497       4.54244184       3.82582164    
 O   -4.02951145       6.20834732      0.658317745    
 H   -3.61786389       5.67489958       1.35026789    
 H   -4.81046677       5.72603369      0.365497500    
 O   -4.46013927       3.72153997       7.33580542    
 H   -5.25505924       4.17008686       7.01840782    
 H   -4.66433668       2.77600121       7.30839872    
 O   -6.79784870       9.10875893       2.57314110    
 H   -7.16092014       9.96483803       2.36239362    
 H   -6.91420364       8.98114967       3.53228617    
 O   -3.30724049       1.29756999       4.46599865    
 H   -2.61766672      0.683663428       4.22528601    
 H   -2.86714125       2.09531903       4.80355215    
 O   -9.46320915       2.72075963       3.29581046    
 H   -8.85954285       2.50362682       4.02413273    
 H   -10.1772547       2.08855200       3.33730698    
 O   -2.91647458       7.56439829       4.57359648    
 H   -3.22683072       8.02815342       3.77974105    
 H   -3.65839744       7.52675724       5.19302607    
 O   -6.67803335       4.93257618       6.12021160    
 H   -6.39064121       4.96446753       5.19128084    
 H   -7.48840332       5.45309687       6.19930029    
 O   -5.81885815       4.97442436       3.56767392    
 H   -6.38248110       5.51608372       3.00131035    
 H   -4.89389849       5.17620277       3.37365031    
 O   -4.96687794       7.26883841       6.46410751    
 H   -5.54979753       6.51036596       6.34886122    
 H   -4.35492039       7.02211618       7.17357302    
 O   -7.53291607       6.48498678       1.97918499    
 H   -7.27559376       7.41375351       2.04500055    
 H   -7.24067783       6.13279915       1.12884867    
 O   -7.48258829       2.80335021       1.16839099    
 H   -8.25949574       2.80787611       1.73834550    
 H   -6.77624273       2.43778038       1.71866977    
 O   -5.62964869       2.23815560       3.17557716    
 H   -4.78734589       1.90102673       3.50144672    
 H   -5.62318707       3.20428991       3.26443720    
 O   -7.49689817       2.27348542       5.22465658    
 H   -6.84726858       2.17225194       4.51010275    
 H   -7.31452608       3.12359810       5.64287663    
 O   -4.02091408       8.48853779       2.28032160    
 H   -4.93645906       8.78189278       2.34517789    
 H   -4.00949383       7.79000711       1.60998785    
 O   -3.13969922       6.11182070       8.16506195    
 H   -2.34462190       6.10572863       7.61917067    
 H   -3.52064013       5.22619247       8.09146690    
          69
 Energy    -248.42855946458837     
  O     10.01534890      1.67652765    -21.69614946
  H     10.41937621      1.22535832    -20.93525592
  H      9.00093309     -1.92346555    -21.62525653
  O     11.13247499      4.16359502    -20.97918453
  H     10.27020765      2.60077653    -21.59132227
  H      9.68942779     -1.36960326    -17.40899065
  O     11.09494471      0.53794448    -19.50230318
  H     11.88537655      3.94080435    -20.41036272
  H     10.91230309     -2.07564426    -17.99909274
  O     12.56770121      0.21596386    -16.45829664
  H     11.50436613      4.57973125    -21.76658516
  H     13.52616256      2.79820404    -19.10340826
  O     13.72478570      0.97901806    -18.98890133
  H     11.08505325     -0.42868508    -19.50480325
  H     12.87830254      4.06494043    -18.46309701
  O     13.54074502      2.85244893    -24.26501121
  H     10.57028174      0.85861907    -18.75886413
  H     11.61774387      3.81767592    -16.48772258
  O      8.05678274     -0.46726314    -18.18399080
  H     11.94012802     -0.48668516    -16.68316735
  H     10.91682686      4.62023406    -17.59836123
  O     11.38180419     -2.25287353    -19.78389031
  H     13.12572385      0.36973524    -17.22918793
  H     11.34253437      1.02554904    -22.79494801
  O     11.82396169     -2.04067265    -23.35706677
  H     14.14522052      0.74843214    -19.82596079
  H     11.98541454     -0.25067103    -23.41901770
  O      8.23637945     -0.46402994    -21.08274207
  H     12.77501055      0.85956948    -19.15435747
  H     14.11700168     -1.39416783    -21.37716910
  O     12.55054740      5.12812277    -23.18327573
  H     14.41258567      2.69220124    -23.88588419
  H     14.57475510     -2.85545936    -21.17280779
  O      9.51244388     -2.72669736    -21.82955456
  H     13.01047843      2.07278112    -24.04612965
  H     14.10219732      4.95544507    -21.99675027
  O     10.58490887     -1.65072598    -17.19345054
  H      8.41526779      0.39923840    -17.92649469
  H     14.36754806      4.38183106    -20.59118827
  O     13.28547648      3.71860447    -19.26962778
  H      7.21901554     -0.55945057    -17.73580098
  H      9.32540570      2.68910402    -18.06710931
  O     11.75457521      4.52550944    -17.13035277
  H     10.72852376     -2.51576732    -20.44526543
  H      9.92593160      1.97159606    -16.82312879
  O     12.13459610      0.68690597    -23.23073569
  H     12.24854289     -2.31306972    -20.20439858
  H     11.73010526      1.53961258    -15.78058989
  O     13.80019764     -2.30425527    -21.25217991
  H     10.99643655     -2.31135447    -22.93939970
  H     11.11719550      2.23628348    -14.54117262
  O     14.79957049      4.61303860    -21.42594822
  H     12.52314085     -2.28853504    -22.74033573
  H     13.59037961      0.50648796    -22.14697071
  O      9.39882828      1.83527843    -17.62180431
  H      8.68225021      0.34508757    -21.36524530
  H     15.04622101      0.99723716    -21.96941692
  O     11.15227978      2.27091998    -15.49281115
  H      8.15267232     -0.42487317    -20.12214969
  H     15.58557411      3.25355110    -22.17469131
  O     14.40731240      0.34850486    -21.64955541
  H     12.86242619      4.32273148    -23.63504012
  H     16.82933336      2.65645886    -22.87435460
  O     15.91980174      2.47424243    -22.65507350
  H     12.46228734      5.80113888    -23.85241255
  H      9.96037705      4.35437385    -19.65328126
  O      9.41433045      4.36852487    -18.84930566
  H      8.88115651     -3.41220403    -22.03028086
  H      8.73771051      5.02613751    -18.98995575
          69
 Energy    -248.42803804427206     
  O     -7.75002742     -2.97544971      5.69955385
  H     -8.27280917     -2.32035606      6.17778872
  H     -8.19274911     -0.28636576      3.82153856
  O     -8.97660909     -2.99371615      3.23388493
  H     -6.82562689     -2.74861742      5.85385414
  H     -4.61899259     -2.08050490      5.18974218
  O     -5.95363211      0.95341984      0.23361634
  H     -9.47613244     -2.18768736      3.43867176
  H     -4.36380514     -2.69308783      6.58724100
  O     -5.84835742      0.47807847      5.90119363
  H     -8.53954226     -3.21386326      4.07083259
  H     -2.17744932      3.10243058      1.85947866
  O     -5.02608912      5.34800581      1.62751812
  H     -6.34933561      0.14510260     -0.11004008
  H     -1.06828856      2.48200763      0.97441158
  O     -9.48499069     -0.92509835      6.82928609
  H     -6.64348069      1.40344873      0.74556304
  H     -8.96418351      4.57687279      5.65358990
  O     -4.13700782     -1.83177941      3.54457023
  H     -5.48335571     -0.37953411      6.14928596
  H     -7.93292448      3.91053236      4.72061789
  O     -4.43684270      3.32444679     -0.09345627
  H     -6.35249110      0.31998001      5.08617152
  H     -9.82293318      2.64447571      4.14528321
  O    -10.00744059     -0.59642304      4.10185009
  H     -5.06570787      6.17251892      1.15049859
  H     -9.50400281      2.12598751      2.74541372
  O     -7.18582908     -1.52122625     -0.45870115
  H     -4.87184964      4.64961240      0.96596394
  H     -6.60282266     -2.13940877      1.22796620
  O     -3.90613056      0.62651678      2.14731121
  H    -10.02262132     -1.06885063      7.60347847
  H     -7.30231801     -2.71327459      2.49445816
  O     -7.28028625     -0.05836604      3.59835862
  H     -9.05479461     -0.05864300      6.94281999
  H     -9.45741598     -2.61522625      1.48212759
  O     -4.98938097     -2.17678001      6.08643703
  H     -3.91316020     -0.99525575      3.11838022
  H    -10.43325401     -1.70742250      0.72119280
  O     -2.00426430      2.45577996      1.15168547
  H     -4.87210507     -2.18790609      3.02518985
  H     -7.31307178      1.18554842      6.73201329
  O     -8.69754475      3.73424255      5.29272999
  H     -3.55431479      3.02852457      0.16263309
  H     -8.40305408      2.24452815      6.45520668
  O    -10.16053747      2.06514527      3.45146671
  H     -4.97822293      2.52619496     -0.14363847
  H     -3.30588972      3.59675603      3.69300656
  O     -6.46830535     -2.35788801      2.15746635
  H     -9.97756938     -0.69115653      5.06365224
  H     -3.49086160      4.73208430      2.67047000
  O     -9.61027772     -2.18351832      0.62789759
  H    -10.20507959      0.32905652      3.89583385
  H     -4.33777975      1.70048120      3.56322542
  O     -8.21249889      1.45297757      6.97064111
  H     -8.08995895     -1.70451550     -0.14991024
  H     -4.85568499      1.73348814      5.01998179
  O     -2.82115758      4.18004482      3.09216648
  H     -7.06510471     -2.02535936     -1.26010463
  H     -7.35110923      2.86419990      2.42427929
  O     -4.51942795      2.29227905      4.30771823
  H     -3.15884550      1.11805700      1.78349342
  H     -7.56393580      1.34053226      2.55170638
  O     -7.73385203      2.10157705      1.97227223
  H     -4.61335885      0.66988090      1.48929212
  H     -5.84362718      3.43869968      3.90443641
  O     -6.52975448      4.04962337      3.59434757
  H     -6.90502676     -0.80795009      3.12021612
  H     -6.10475520      4.63103148      2.95132747
          69
 Energy    -248.42800847739025     
  O     13.23388836      8.21923108    -17.09911679
  H     12.83034224      8.32123245    -16.21863194
  H     19.89792114      8.48607957    -12.05909497
  O     16.69290967      6.68066213    -12.10440071
  H     12.52006597      8.20167462    -17.73080594
  H     16.89163087      8.85175797    -17.93209645
  O     19.80197412     11.56244034    -12.72278354
  H     16.80842781      5.74710278    -12.31409607
  H     18.42797286      8.69743556    -17.89419425
  O     19.88057352      9.50071895    -17.01876907
  H     16.74773789      7.14579117    -12.95390536
  H     17.73713657      7.75651908    -14.80163974
  O     14.32560346      4.84950081    -14.01041994
  H     18.95037341     11.37365944    -12.29430138
  H     16.25709885      7.36007172    -15.15293971
  O     15.22561041     10.26765151    -10.03426909
  H     20.22996059     12.23246933    -12.19570022
  H     12.26836729      7.71764237    -13.98806034
  O     14.38956278      8.01814306    -11.45698834
  H     20.64980175      9.89015950    -17.42519167
  H     12.65819074      9.20436365    -14.09680054
  O     16.13120017     10.49457869    -14.44591859
  H     19.48307891     10.18697808    -16.45336612
  H     18.11130008      9.21305994    -11.11454076
  O     18.38457607      4.96567269    -15.39924732
  H     15.15989116      4.48794999    -13.69082856
  H     17.93550046      7.69023145    -11.16397365
  O     19.50501747      7.49922982    -15.06324447
  H     14.54601061      5.31965119    -14.82762231
  H     13.16266062      5.76636128    -13.15011189
  O     16.97669152      4.12006693    -13.23379351
  H     15.37059305     10.13186361     -9.09997185
  H     11.81201602      5.78769807    -12.39311737
  O     20.44927344      8.72644786    -12.81805136
  H     14.91149681      9.41738307    -10.37991635
  H     19.18722187     11.46953199    -14.49957174
  O     17.61773473      8.26387329    -18.18497701
  H     13.67111914      7.44377156    -11.75025969
  H     17.80858504     11.16696456    -15.11616729
  O     16.80841402      7.89304101    -14.56584969
  H     15.20921651      7.52504075    -11.61102967
  H     16.58317470     10.75250233    -11.17656140
  O     12.26752642      8.47257364    -14.58954974
  H     15.25094822     10.52572141    -14.05081252
  H     16.89613966     10.72878952    -12.69794833
  O     18.52292405      8.38549065    -10.83817196
  H     16.38628393      9.55636912    -14.49869674
  H     17.37807221      6.58120860    -18.05754079
  O     12.52218034      6.34609344    -12.69706675
  H     18.00935445      5.07015212    -16.28097302
  H     17.27340216      5.20810948    -18.76660667
  O     18.73777906     11.29932734    -15.33714053
  H     18.91800886      5.75936925    -15.25136667
  H     14.02531919      9.46089346    -12.48602262
  O     17.29593719     10.82708574    -11.82524374
  H     19.72879954      8.09538669    -15.78732081
  H     13.60008934     10.92569648    -12.30760179
  O     17.17104369      5.63693186    -17.92199823
  H     19.89934673      7.87089939    -14.25867104
  H     15.67393645     10.23334326    -16.38434888
  O     13.76717611     10.26070101    -12.97375485
  H     17.36438936      3.30409505    -12.92964553
  H     14.70709685      9.39952394    -17.24597632
  O     15.54235891      9.88330434    -17.27086384
  H     17.48759676      4.39418629    -14.01702558
  H     14.48089141      6.94169785    -16.61667648
  O     15.11784146      6.34998228    -16.19745970
  H     20.41923306      9.68820182    -12.85126702
  H     15.73389342      6.03506288    -16.87203652
          69
 Energy    -248.42789867131603     
  O     13.94175506     12.32245416    -16.13322303
  H     14.41317047     12.20953841    -15.30151681
  H     15.08668949      5.90982459    -18.49286535
  O     14.46767411      7.10584910    -13.42740474
  H     13.00606037     12.26837851    -15.89876146
  H     17.02117706      7.68149105    -11.56081508
  O     16.00690595     10.80432924    -10.98962354
  H     14.74063840      7.85413865    -13.98184315
  H     18.22600229      8.60698130    -11.84090868
  O     17.84177450     11.41878076    -13.99021276
  H     14.77810437      7.31110859    -12.53594572
  H     17.62931529      9.17020407    -16.67619660
  O     13.47240164      8.76394235    -17.23895342
  H     16.96570208     10.73450898    -11.08260054
  H     18.13038242      8.40258977    -15.39761115
  O     11.97572917     11.13274333     -9.88131210
  H     15.65991740     11.07960570    -11.84820907
  H     14.55420007      9.11746582    -15.78111539
  O     11.97941218      8.35131237    -13.14315448
  H     17.90241884     10.72585578    -14.66537762
  H     16.05525719      9.18282531    -15.32384652
  O     14.93549320     11.46125214    -13.51673405
  H     16.91200506     11.65805218    -13.92348539
  H     10.57474866     12.54678955    -14.97311895
  O     15.92755171      5.84654570    -15.46523584
  H     13.94955783      7.97745781    -17.53596926
  H     11.60791373     11.72427549    -14.17044318
  O     12.55125401      8.31003013    -10.36556805
  H     13.79223052      9.50971647    -17.76400897
  H     11.90863701      8.94905033    -16.26564283
  O     18.42836246      6.80061525    -14.49607963
  H     11.29846794     11.45194798     -9.29067142
  H     11.13035790     10.09859144    -15.59845627
  O     15.18838437      6.67198332    -17.92940417
  H     12.83098684     11.32477867     -9.45951462
  H     18.48655318     10.82028232    -12.50092826
  O     17.87056335      7.72710734    -12.01641474
  H     11.58739637      8.50764896    -14.01488676
  H     19.53607322     10.81160205    -11.36091183
  O     17.82588563      9.25584719    -15.73088391
  H     12.76767972      7.80965682    -13.28405465
  H     15.50142136      8.99960002    -10.92446008
  O     15.13852384      9.23417166    -15.02190906
  H     14.03265818     11.46196575    -13.16875523
  H     14.34487402      8.03974388    -10.59593667
  O     11.33259777     11.97495502    -15.06842226
  H     15.01847894     10.63660690    -14.02607682
  H     14.89960424     11.27132950     -8.03590948
  O     11.18570105      9.13798477    -15.65148470
  H     15.34290071      6.08071377    -14.73202040
  H     15.05906550     11.31746335     -9.56476732
  O     18.70050397     10.43990422    -11.62898882
  H     16.81675451      6.07580882    -15.16889218
  H     16.31626731      8.19079282    -18.24759026
  O     15.25970350      8.06457595    -10.91363085
  H     12.18496678      8.20853220    -11.25480983
  H     16.17859450      9.72664525    -18.35831573
  O     14.45356866     11.53442536     -8.83736524
  H     12.29854258      9.19659928    -10.08631625
  H     12.15301232     11.19422582    -11.71787939
  O     16.82074657      9.01432742    -18.24913264
  H     19.22508336      6.27932789    -14.44376879
  H     12.24009180     10.10961838    -12.82529246
  O     12.32107645     11.06189172    -12.65850525
  H     18.22104865      7.08695671    -13.58802374
  H     14.59028763     11.56655365    -19.13647161
  O     14.71766619     10.99548881    -18.38328273
  H     15.45389059      6.33853531    -17.05318992
  H     14.49520775     11.52203319    -17.59528111
          69
 Energy    -248.42739909476404     
  O     -2.08661420     -3.59731113     -0.36184418
  H     -2.95707235     -3.19075726     -0.43918391
  H     -2.44819064     -3.03353216      3.46781441
  O     -2.13713505     -0.34575749      1.80959202
  H     -1.49783318     -3.14419979     -0.97961902
  H     -2.99458192      2.25064144      4.33753342
  O     -5.45691837     -2.36433137      2.51822365
  H     -1.80296991     -1.24582115      1.91160710
  H     -2.90465938      0.95881413      5.19767909
  O      1.54432586     -1.67832085      6.46523482
  H     -1.43140502      0.26989399      2.03954250
  H      0.49953550     -2.05860268     -1.16863342
  O      1.31398882     -2.36076247      2.78835906
  H     -5.25514875     -1.43132546      2.71731455
  H      0.42650216     -2.73649367     -2.55717963
  O     -2.02683011     -0.67429258      5.47541854
  H     -6.32015429     -2.54154829      2.88431122
  H      1.52233411      1.93278364     -0.63568372
  O     -0.95312612      0.41761945     -1.86046731
  H      1.34607401     -1.04082771      5.76496178
  H      0.22316766      1.10683686     -0.78654498
  O      1.48356071     -1.44976454      0.12639040
  H      1.67275723     -2.52339415      6.01687017
  H     -4.06867261      1.69814801      0.33096266
  O     -0.20200015      1.60486109      2.37903124
  H      1.06240302     -1.57251892      3.29333279
  H     -4.66692514      1.61657054      1.73318978
  O     -1.32037996     -2.96846821      2.15889981
  H      1.47600389     -3.05307637      3.44149001
  H      0.47129416     -4.19245473      5.25524040
  O      0.47254753     -0.20594887      4.31898137
  H     -1.73307780     -1.01452599      6.33035042
  H      1.78834881     -4.99164467      5.12946273
  O     -3.10360825     -2.94729433      4.18097825
  H     -2.46846441     -1.40468902      5.02108337
  H     -3.73730176     -0.03797352      2.58128835
  O     -3.49095673      1.68466045      4.93885047
  H     -0.70606139     -0.50411729     -2.00956618
  H     -4.42159893      0.67520996      3.76522693
  O     -0.10183587     -2.29062004     -1.90018874
  H     -1.86825437      0.39630044     -1.55058609
  H     -4.97376439     -2.44352157      0.71495982
  O      0.90649404      1.38870526     -0.15176934
  H      1.54312617     -1.77156221      1.03490498
  H     -5.44687921     -2.82561528     -0.70043719
  O     -4.30813697      2.24323730      1.09094400
  H      1.40556080     -0.48991290      0.16641206
  H     -3.05359780      2.99132992      2.09374835
  O      1.39916023     -4.13696483      4.96470532
  H      0.19912971      1.65242830      1.50078785
  H     -2.49956034      4.24728336      2.80065443
  O     -4.60441699      0.14187422      2.97910900
  H     -0.86830558      2.30052208      2.46087641
  H     -1.91542500     -3.85459140      5.36051234
  O     -4.73372435     -2.40598723     -0.22341967
  H     -0.36841300     -2.87626831      2.28147105
  H     -1.14286981     -3.46591807      6.63411216
  O     -2.37352201      3.30560303      2.71466028
  H     -1.50833980     -3.30390751      1.26984717
  H     -0.81697140     -1.76245571      8.66405213
  O     -1.16309238     -4.10537635      5.91105273
  H     -0.40709143     -0.36832788      4.68916896
  H      0.05100282     -1.79517906      7.38156677
  O     -0.85518299     -1.90450900      7.72253909
  H      0.37689590      0.53463404      3.70562461
  H     -3.97622496     -0.66109926     -0.63817474
  O     -3.41719900      0.12068070     -0.57749431
  H     -3.95547361     -2.87958057      3.74171346
  H     -2.88869696     -0.01669108      0.22611218
          69
 Energy    -248.42729018315055     
  O     19.26123488      9.67278836    -14.93412909
  H     18.42491095      9.45531060    -15.35975108
  H     15.76723069      9.39330139    -13.49921219
  O     21.94017937      7.14129273    -11.82842652
  H     19.70132086      8.83007296    -14.74803896
  H     18.80706060      6.94151260    -13.19430379
  O     15.69629269      8.81185125     -9.98934295
  H     21.57225647      6.28707408    -11.53240270
  H     17.64423143      7.76055814    -12.57847300
  O     16.71917369      8.93347973    -16.12972406
  H     22.87943597      7.10733721    -11.67101860
  H     14.76781920      6.06771942    -13.80848042
  O     18.34480754      5.87898617    -10.12751724
  H     15.33445470      7.92699439    -10.13871353
  H     14.39622017      7.57740827    -13.76032614
  O     14.46726977      6.37499156    -10.72335939
  H     16.49822778      8.69739740     -9.46186556
  H     18.95488870      8.66734583     -9.43869058
  O     20.76627023      4.85912568    -11.09847629
  H     16.02208578      9.08576288    -15.47211444
  H     18.56067373      8.59299562     -7.94500652
  O     16.21943078      4.13504859    -10.45837421
  H     16.43984468      9.38602405    -16.92328352
  H     19.07105283      5.41458165    -16.01053454
  O     16.87647593      2.79990885    -12.71841567
  H     18.30253615      6.65752691     -9.56218242
  H     20.31440020      4.62625529    -16.48734224
  O     20.36061057      7.25898585    -14.12702455
  H     18.22999306      6.19533072    -11.03739916
  H     12.79002813      8.96748289    -11.66856987
  O     19.62241626      3.54116892    -13.24193489
  H     14.58714289      6.44957168    -11.68142335
  H     14.05906974      9.58409641    -11.05300771
  O     14.95309688      9.32301472    -14.02463836
  H     13.52164156      6.51256438    -10.60702280
  H     20.02282047      9.72644266    -11.25436063
  O     17.97337567      6.86171481    -12.71326608
  H     19.98217442      5.11542149    -10.59606266
  H     20.81001272      8.42229722    -10.98103203
  O     14.09963648      6.69524789    -13.49982606
  H     20.44225505      4.32731011    -11.84079179
  H     19.56990101     11.85631095    -12.65005908
  O     18.24570778      8.40183511     -8.82474990
  H     15.51103372      4.78911989    -10.46344089
  H     19.37755284     10.54045652    -13.44541843
  O     19.90644323      5.00945520    -15.71551553
  H     17.01180884      4.63342544    -10.21126904
  H     16.88678234      5.73899020    -13.57092080
  O     13.40247276      9.70991297    -11.74667331
  H     16.61344685      1.88553954    -12.66203635
  H     16.40696086      4.26959088    -13.71039916
  O     20.19720776      9.05331396    -10.58530327
  H     16.63074585      3.21558326    -11.87174139
  H     16.99128031      5.73980720    -15.64638042
  O     19.37089946     10.92963218    -12.55124900
  H     21.01063421      7.18619637    -13.41629876
  H     17.28680595      7.09488500    -16.31810810
  O     16.28352003      5.15874124    -14.06332919
  H     20.38634670      6.45733833    -14.66490182
  H     12.57532730      6.96258343    -12.51351797
  O     17.53204057      6.16330913    -16.32881870
  H     18.71279580      3.25092592    -13.10778066
  H     11.08492643      6.93880950    -12.11441598
  O     11.94576542      7.22428105    -11.81958966
  H     19.65884355      3.95882455    -14.10985674
  H     17.76912563     10.04054897    -12.25386954
  O     17.03256150      9.42160772    -12.30661626
  H     14.26073132      9.60450052    -13.41055344
  H     16.60513938      9.33975689    -11.44245405
          69
 Energy    -248.42713655886962     
  O     13.69355484      7.04179846    -14.36577177
  H     13.87053107      6.36012228    -15.02510057
  H     17.28295287      6.41330123    -16.52614214
  O     17.56187321     12.00651438    -11.98286623
  H     14.45246213      7.64632604    -14.35727038
  H     14.14569958     11.05856777    -17.01368258
  O     17.33129025      7.86748852    -17.72314094
  H     17.43330732     12.89982810    -11.67594581
  H     14.61803828     12.46838478    -17.44914026
  O     12.00065133      9.25176174    -14.51454545
  H     16.67685458     11.60978711    -12.07269802
  H     15.62851083      9.44909276    -13.48187223
  O     16.30915785      8.30657028     -9.88155891
  H     17.25508306      8.70651287    -17.23655901
  H     16.15848762      9.19929124    -14.92078775
  O     13.66121486      6.29364926    -11.74139040
  H     17.93936020      8.02156859    -18.44155610
  H     19.41896539      8.92724604    -12.05501247
  O     15.16726249     10.79945821    -12.32601340
  H     12.52318098      8.43707243    -14.49148282
  H     20.75128022      8.47018430    -12.70007246
  O     14.47911906      7.50224977    -17.91685134
  H     11.53757292      9.28796571    -13.66947679
  H     11.88982730      6.31773056    -11.37233797
  O     16.37089363      5.75307379    -11.24179157
  H     16.33188849      7.41268230    -10.24343869
  H     10.47973193      5.70159250    -11.37728849
  O     16.96831309     10.12632333    -16.26723184
  H     15.40938475      8.62317778    -10.01570038
  H     18.37137465     11.32868176    -13.55645169
  O     14.47386222      5.15748374    -16.26217096
  H     14.54848168      5.98134509    -11.52933118
  H     19.15547075     10.05673827    -13.91920520
  O     17.09476919      5.70095528    -15.90069083
  H     13.64651278      6.49182075    -12.69132367
  H     18.48297989      7.35766306    -13.23356764
  O     14.78148941     11.77351921    -16.81744481
  H     14.65492122     10.22154807    -11.74656445
  H     16.99783923      7.55248840    -13.62407753
  O     15.80789282      8.76105796    -14.13510623
  H     14.55759310     11.19992472    -12.96691606
  H     18.28506909     10.52461798    -11.04381572
  O     19.81737300      8.56055664    -12.86746364
  H     15.43310779      7.63534390    -17.96560368
  H     17.80846648      9.20820122    -10.38264928
  O     10.94573493      6.52888232    -11.28863789
  H     14.36261882      6.66153812    -17.46003053
  H     13.48509765      8.93857260    -17.45392582
  O     18.71523657     10.82376232    -14.30418960
  H     16.85907018      5.00437210    -10.90854925
  H     12.53884875      9.54396984    -16.37577222
  O     17.65655109      6.88156897    -13.38519036
  H     16.86569221      6.09317593    -12.00645018
  H     13.71822045      8.04910982    -11.14571175
  O     18.58316259      9.65396376    -10.75440569
  H     17.61622978     10.47970493    -15.63727747
  H     12.75358875      9.23684182    -11.08472425
  O     13.05284062      9.75543615    -17.16264080
  H     16.29770470     10.79387676    -16.45980529
  H     13.93440127     11.81956209    -15.09572438
  O     13.65955796      8.97741149    -10.87969421
  H     15.43282500      5.26479416    -16.12284468
  H     12.94526849     10.87241687    -14.38280446
  O     13.49655913     11.65631564    -14.25222962
  H     14.32888076      4.24944696    -16.51152205
  H     10.84995442      8.26346557    -11.63660780
  O     10.96777198      9.20827199    -11.83753129
  H     17.38584511      6.01118707    -15.03425466
  H     10.21678978      9.66548426    -11.46733877
          69
 Energy    -248.42686927148031     
  O     14.15653120     13.41445633    -14.96223440
  H     13.78646686     12.76711527    -15.57420721
  H     14.90083486      7.35810070    -15.56362916
  O     16.37765246      6.32111319    -13.07629145
  H     15.01796014     13.64297114    -15.33036942
  H     18.22736459     10.40247911    -14.04093002
  O     19.28723543     11.33234984    -12.86982265
  H     15.54521677      5.85149669    -13.21554878
  H     16.69089973     10.18007220    -14.04562201
  O     18.06226419     13.80237663    -13.67763075
  H     16.64431593      6.63691691    -13.94809691
  H     15.53397699      8.54817790    -18.33259027
  O     13.68015207      5.33555365    -13.52825749
  H     20.19043581     11.20504147    -12.59302687
  H     16.78867043      8.25387057    -19.18989104
  O     15.72552331     10.07716155     -9.36680409
  H     18.74738936     11.37329657    -12.05887705
  H     14.99693603     11.21537348    -12.77120015
  O     12.75632509      7.10289425    -11.70409046
  H     18.56052060     12.98739311    -13.54117304
  H     15.20238060      9.67428963    -12.48946793
  O     14.36145296     12.85122215    -12.27577006
  H     17.66614995     13.75096021    -14.55581445
  H     14.59124147     11.10564445    -16.71465247
  O     13.81769475      8.61412173    -18.03587442
  H     13.27052319      5.91783529    -12.86262045
  H     13.32337679     10.64716867    -15.93398789
  O     15.27017561      8.23163285    -11.43873981
  H     13.32017345      4.46386698    -13.39086799
  H     10.62397768      9.95543810    -12.29436136
  O     16.73199401      7.60996374    -15.63517904
  H     15.64569936     10.00116508     -8.41965352
  H     11.94648982      9.64522803    -13.02720675
  O     13.94315857      7.21728081    -15.58321266
  H     14.86559349     10.39971985     -9.69375833
  H     16.81248269     15.06514935    -11.04559434
  O     17.50274433     10.03738920    -14.56017858
  H     12.16316674      7.85578558    -11.79849370
  H     17.16420030     14.14014449    -12.23771898
  O     16.50828616      8.57348733    -18.33685746
  H     13.62250699      7.48953778    -11.50476215
  H     17.05772147     11.09480817    -10.22470003
  O     15.23327177     10.36644650    -13.16591664
  H     15.09024769     13.38994657    -11.94368327
  H     17.31389547     12.51418261    -10.78863546
  O     13.62611851     11.16836813    -16.69258422
  H     14.19795392     13.11586208    -13.19386376
  H     16.89692360     10.71295529    -16.07818200
  O     11.51016789      9.62888800    -12.15884109
  H     13.69574597      8.03792076    -17.26846654
  H     16.57580628     10.28700713    -17.52701620
  O     16.65886103     14.19624602    -11.40582633
  H     13.57142051      9.50155653    -17.74746692
  H     13.60867471     11.76009842    -10.99812378
  O     17.69986136     11.63354763    -10.70133745
  H     15.85204674      7.58603098    -11.86609546
  H     12.72388592     10.50417074    -10.90580754
  O     16.49681860     11.02056186    -16.90655365
  H     15.67412169      8.60731423    -10.65002861
  H     16.89874337     14.23614429    -16.95149022
  O     13.38879874     11.01064248    -10.42617628
  H     17.08425417      8.40571535    -15.20944917
  H     16.69669708     12.75825249    -16.55093794
  O     16.75558550     13.66289201    -16.20192406
  H     16.78306792      7.77930044    -16.58329368
  H     13.20560306      8.70656541    -14.84333151
  O     12.98841665      9.57846927    -14.48594501
  H     13.76317735      6.49123898    -14.97335006
  H     13.79156308      9.89650102    -14.04379453
          69
 Energy    -248.42685446705696     
  O     -7.55778997     -2.58952013      5.91776950
  H     -6.65424626     -2.26764644      6.00522501
  H     -4.40254119      0.75333113      1.10013717
  O     -9.78813733     -0.88906613      3.57935695
  H     -8.14212928     -1.86339118      6.18534732
  H     -6.84820132      0.58602720      4.08281228
  O     -8.53914852     -3.45648201      3.58192025
  H    -10.01280482     -0.60871682      2.67974173
  H     -8.18706994      0.02186136      3.48881416
  O     -5.63515321      1.10355250     -0.25290853
  H     -9.50678620     -1.81132169      3.52894916
  H     -4.66453973     -1.54143751      5.05443799
  O     -5.91724855      1.10346164      5.59559767
  H     -8.16277567     -3.21967578      4.45108030
  H     -4.21549007     -1.82592298      6.50853502
  O     -4.46270793      5.49950212      1.07894740
  H     -8.92415490     -4.32300530      3.67441581
  H     -0.72298880      2.29989566      0.76098961
  O     -9.88976042      2.86827701      1.67578198
  H     -6.20060681      0.36575671     -0.50467507
  H     -1.82005620      3.04423789      1.56199362
  O     -9.28357240     -0.46442864      6.30672704
  H     -6.20210380      1.66909396      0.29691986
  H     -9.19105801      3.39660158      3.51651520
  O     -4.31901818     -1.59099868      3.35035727
  H     -6.67922164      1.41547951      6.09956318
  H     -7.84967080      4.05719798      3.90719634
  O     -3.93853475      3.36077236     -0.53330151
  H     -5.63430107      0.23920713      5.92092657
  H     -7.33977895     -2.63117599      2.44577020
  O     -7.62060927     -0.93250882     -0.39989037
  H     -4.39149990      6.30351392      0.57128731
  H     -6.86059214     -1.15816196      2.42681092
  O     -3.76086129      0.70585036      1.82166299
  H     -4.33101584      4.76316311      0.45518424
  H     -9.26103146     -0.12491247      0.48102557
  O     -7.31352437      0.37234218      3.26545691
  H     -8.94152121      2.78500629      1.47361759
  H    -10.07460271      1.01525978      1.15399102
  O     -4.93343385     -1.47442665      5.98895264
  H    -10.22629706      3.57476732      1.12885111
  H     -8.53500809      2.76754156      7.29041948
  O     -1.66499352      2.35021180      0.89605865
  H     -9.65459097     -0.52859248      5.41559954
  H     -8.46749709      2.73401849      5.74696202
  O     -8.65238158      3.65989017      4.26980810
  H     -9.04152063      0.45979137      6.43142660
  H     -2.99798298      3.70474387      3.29104018
  O     -6.76220386     -2.01361986      1.97787617
  H     -4.00622404     -0.82157478      2.85633212
  H     -3.03581534      4.81247955      2.22421411
  O    -10.03995729      0.06031071      1.01693708
  H     -5.05023683     -1.94604782      2.83017930
  H     -4.18847791      1.88987629      3.17770944
  O     -8.29930295      2.21251820      6.55153962
  H     -4.52245942      2.59713577     -0.62364115
  H     -4.80694138      2.07486171      4.58883727
  O     -2.43516386      4.22874987      2.70333169
  H     -3.10038551      3.01084596     -0.20582702
  H     -7.26216607      1.69634211      2.11139617
  O     -4.34089865      2.53792478      3.87952059
  H     -7.30133566     -1.40747336      0.38618276
  H     -6.82515701      3.18442015      1.95523024
  O     -7.21919856      2.43805785      1.48514750
  H     -7.82812967     -1.59695149     -1.05301553
  H     -5.53309220      3.81693109      3.43266784
  O     -6.16783969      4.44186815      3.04865488
  H     -2.95434671      1.12914446      1.50102361
  H     -5.67032458      4.96699838      2.40879332
          69
 Energy    -248.42674132633232     
  O     16.37554843      9.50174062    -12.03509161
  H     15.79219597     10.26341274    -11.93164273
  H     12.66475906      9.58811443     -8.08697491
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  H     15.88746698      5.92618239     -5.67490389
  H     20.36979131      4.09935780    -11.61358782
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  H     14.59254612     12.53783614    -11.61877012
  H     16.35779528      7.15660185     -8.99038363
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  H     19.39754419      7.77360544    -12.96597258
  O     19.53788723     11.17285314     -9.84953326
  H     13.74675694      6.44097483     -7.07710771
  H     19.69904769      6.26268142    -12.90683304
  O     19.24890052      6.96220386     -9.80390969
  H     12.62012508      7.44688081     -7.39457613
  H     16.15280342     10.59149200     -6.57081288
  O     12.59731150      5.41457230     -9.97788722
  H     15.20125964      6.49363341    -12.12781784
  H     17.61639458     10.58210122     -7.02129677
  O     12.79944783      7.88750090    -11.40181252
  H     15.71540314      6.85415371    -13.54003392
  H     17.15792417      6.04598269    -15.53403328
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  H     19.36486143      9.84572125    -11.19934924
  H     17.91954137      6.49177509    -14.26319591
  O     12.34527060      9.29563049     -7.21490081
  H     18.12063973      9.24950556    -11.89196186
  H     16.20937705      9.02836266    -10.27312693
  O     19.78899317      4.85424010    -11.57406184
  H     19.25193064     10.51974384     -9.18735725
  H     15.11038992      9.15593452     -9.20351310
  O     16.73819456      6.28070701     -8.80608050
  H     20.29752319     11.61941464     -9.48353721
  H     17.76452823     12.02979317     -9.72128089
  O     19.41763832      6.96872863    -13.50106164
  H     19.16335769      7.67842826    -10.45011471
  H     16.76172380     11.95305987     -8.55266550
  O     16.85573035     11.16267926     -6.91511631
  H     19.54193823      6.19163768    -10.30665785
  H     14.03969575      9.35917396     -6.34062895
  O     17.07166205      6.13983872    -14.58931536
  H     12.68794733      5.79318579     -9.08444759
  H     15.19707711      8.37348911     -6.10709106
  O     15.99568577      8.80940071     -9.35667368
  H     11.85865003      4.81268929     -9.94890645
  H     14.32670573      5.12472523    -10.57474994
  O     16.85668306     12.23434599     -9.47550488
  H     12.62118286      7.04883450    -10.95832786
  H     15.76595681      5.46719654    -10.10176259
  O     14.96361928      9.30771898     -6.06911457
  H     13.49237569      7.69945399    -12.04699849
  H     18.93156325      8.38903955     -8.49795411
  O     15.24820244      5.16129187    -10.85970743
  H     13.12742400      9.20428625    -10.27730840
  H     17.61707564      9.19129055     -8.47710016
  O     18.54309699      9.21533262     -8.18825885
  H     13.78347926     10.61240636    -10.14412327
  H     17.18109851      4.71601525    -13.28128762
  O     17.31904444      4.19081110    -12.48365146
  H     11.58387479      9.82964002     -7.00548262
  H     16.56083994      4.37430263    -11.91278339
          69
 Energy    -248.42671652696961     
  O     -1.38225685     -5.68313713     -0.06068869
  H     -1.35035702     -5.99123823      0.86121040
  H     -4.08569600     -1.98110696      0.57533679
  O     -1.07289055     -3.79857918      6.32178756
  H     -1.49664946     -6.45892626     -0.60383361
  H     -1.44395746     -6.71984694      3.41357840
  O     -3.20165873      0.52590580      2.40232702
  H     -0.42654673     -4.51429469      6.34174550
  H     -0.33241431     -5.78610051      2.85750909
  O     -6.58451136     -2.14126689      2.75432260
  H     -1.91933781     -4.19797647      6.07556075
  H      0.14861378      0.56531606      3.57393593
  O     -0.44603945     -1.96739829      1.55846548
  H     -3.04172238     -0.32031113      2.85149283
  H     -0.40422888      0.41158714      5.00710081
  O     -3.08953252     -4.23343670      2.98355824
  H     -3.68327736      1.05718278      3.04680977
  H     -3.59544659     -4.69155593      4.69181683
  O      0.69950856     -5.97185593      5.86497894
  H     -5.97810641     -1.88047400      2.04042826
  H     -4.15854791     -4.33469043      6.09879152
  O     -5.54779565     -1.09258676      5.02628772
  H     -7.26259687     -2.67143831      2.34517707
  H     -2.92387006     -2.57838383      3.69525153
  O     -1.83398432     -7.16314872      5.11733162
  H     -0.29809412     -2.18978317      2.48900406
  H     -3.90082084     -1.57166417      4.36456717
  O      1.21848327     -4.90761508      3.36227586
  H     -0.37854171     -1.00776001      1.49606920
  H     -0.28986661     -2.82611556      4.95484568
  O      1.03961971     -4.24945074      0.68928018
  H     -2.40648629     -4.91423178      2.91615258
  H      0.41819247     -1.55807293      4.37552127
  O     -4.75714890     -1.35200995      0.87138697
  H     -3.17079242     -3.86564345      2.09476056
  H     -1.93405266     -2.46867327      7.33567967
  O     -1.16654318     -6.21993938      2.63236776
  H      1.46647453     -6.32010462      6.31309462
  H     -2.38564682     -1.00041027      7.19675434
  O      0.36616891      0.23057431      4.45182377
  H      0.99857992     -5.68445031      4.98619581
  H     -5.16113618      2.13618621      5.01459672
  O     -3.55578051     -4.92407588      5.63113570
  H     -6.01905048     -1.48933469      4.27565963
  H     -4.98762170      0.60613156      4.89391842
  O     -2.99751920     -1.67943386      4.03487672
  H     -5.51506198     -1.72851001      5.75143725
  H     -2.83918820      0.86885276      5.59983107
  O      0.24368170     -2.49760139      4.22008855
  H     -1.00026699     -6.87951534      5.51319392
  H     -2.27441787     -0.50068352      5.20653314
  O     -2.58478499     -1.82768953      7.65297528
  H     -2.50805173     -6.54711091      5.43238710
  H     -0.37725137      1.57564033      1.16874389
  O     -4.54124083      1.45955968      4.75505570
  H      1.37470797     -4.78736228      2.41466711
  H     -1.50980559      0.84895944      1.93299325
  O     -2.12130961      0.25695154      5.79524916
  H      0.98145974     -4.02875249      3.69855539
  H     -2.32903141     -4.02047163      0.07988095
  O     -0.55185228      0.85440249      1.76791801
  H      0.64983192     -3.38240531      0.86589496
  H     -1.89936545     -2.71213398      0.78211589
  O     -2.66811715     -3.18856464      0.43142843
  H      0.34279806     -4.75528868      0.25627968
  H     -4.15524381     -2.50313778      7.35246055
  O     -4.99502044     -2.92077537      7.08493609
  H     -4.27846284     -0.58797596      1.21332059
  H     -5.47021417     -3.12220175      7.88698281
          69
 Energy    -248.42666961682158     
  O     14.59940194      8.63716525     -9.48939584
  H     14.18431123      8.64750264     -8.63153954
  H     13.46528190      6.30333208    -16.51353836
  O     16.74540750      5.87971141    -12.53670938
  H     15.01244970      9.51252253     -9.61758922
  H     19.04851854      6.44351404    -16.94580966
  O     15.25993728     12.16222734    -12.39801123
  H     16.72185847      5.36001869    -13.35625483
  H     18.70610077      6.80596760    -15.48034482
  O     17.16679328     11.91678628    -14.56712932
  H     16.43860422      6.76675527    -12.78281266
  H     14.46003997     10.66146700    -15.16461768
  O     10.81879889      7.54546345    -15.13507334
  H     15.94603053     12.19719199    -13.07290737
  H     15.39931814      9.77633170    -16.05717279
  O     17.12371804      7.46618705    -10.16738860
  H     14.47569816     11.81685833    -12.84388728
  H     16.78969615      8.93953089    -13.21051882
  O     12.71833983      6.37449603    -13.41239995
  H     16.46870615     11.52013316    -15.11502755
  H     15.97246599      8.27099661    -14.34452949
  O     13.23210716     10.76034788    -13.80309511
  H     17.48686044     12.67873078    -15.04409572
  H     15.13779892      4.99176849    -12.05647067
  O     12.70550669      9.83843720    -17.34404141
  H     11.34615843      7.06946357    -14.47971697
  H     14.42127766      3.63965203    -11.97815291
  O     16.50685115      4.76893898    -15.02953758
  H     11.17790606      7.29841910    -15.99591513
  H     18.08914665     10.60799860    -13.58847033
  O     15.94859224      8.06818927    -16.13573277
  H     16.22508184      7.71743771     -9.91532506
  H     18.48780786      9.97039056    -12.20321235
  O     14.09048038      6.05751406    -15.81959161
  H     17.04359345      6.77248007    -10.83092401
  H     19.00337962      8.10699178    -13.61044534
  O     18.32054452      6.59143101    -16.34868829
  H     12.94405047      7.18748276    -12.93775804
  H     18.56016729      6.67574533    -13.23901101
  O     15.08655389     10.68100107    -15.90477523
  H     13.11007957      5.65465843    -12.89964397
  H     19.22045353      9.83330300     -9.75071921
  O     16.01144329      8.39642628    -13.38745234
  H     13.27819464     10.03708139    -13.16072776
  H     18.07200549      8.93687442    -10.27353941
  O     14.26568084      4.58199163    -11.96973919
  H     12.36664376     10.70027465    -14.22459560
  H     11.92656971      6.97202690    -18.48310307
  O     18.38817351      9.80149121    -13.15024929
  H     13.53219219     10.23173899    -17.04383094
  H     12.45854260      8.11439806    -17.58569208
  O     19.13796240      7.17317354    -13.82623914
  H     12.03627715     10.10524383    -16.70014483
  H     15.64242806     11.42310960    -10.80206089
  O     18.49797477      9.80796728    -10.37248795
  H     15.63932186      5.04918462    -15.35121518
  H     16.82049283     10.71960815    -10.08239122
  O     12.24842261      7.16366666    -17.60644407
  H     17.15090238      5.22751589    -15.58237163
  H      9.97101976     10.60967163    -15.16845181
  O     15.88527240     10.93644814    -10.00020951
  H     15.27528622      7.37323374    -16.09538999
  H     10.77777908      9.28914627    -15.11545717
  O     10.85534650     10.25613480    -15.20692602
  H     16.79114379      7.63766708    -16.32804695
  H     13.81549284      8.60626955    -11.16164630
  O     13.63882700      8.62601906    -12.10936224
  H     13.62340479      6.15438999    -14.97713963
  H     14.50507212      8.57740673    -12.54728225
          69
 Energy    -248.42661049969871     
  O     11.87058130     10.76895818    -14.62417418
  H     11.67363788     10.59310074    -13.69637129
  H     18.60581760      8.68388688    -13.58650557
  O     15.73334897      6.66144826    -13.22684789
  H     12.51751105     11.48493652    -14.64376063
  H     16.13915570     11.22270046    -16.60741796
  O     17.46004361     10.24574194    -15.80663081
  H     16.55146279      6.78244251    -12.73484303
  H     14.93908779     10.86559124    -17.50044968
  O     11.89217558      6.30737796    -15.12107087
  H     15.60413262      7.46002858    -13.76323722
  H     15.89682300      9.26785971    -15.23930129
  O     16.06962987      9.29035776     -9.03625266
  H     17.95651309      9.48937264    -16.14610077
  H     14.39879814      8.80619105    -15.23252442
  O     13.99821597      6.98118875    -11.14840458
  H     17.77399819     10.42357614    -14.91053409
  H     10.72657860     10.40808073    -11.29326901
  O     15.17100939     10.95231224    -12.91512916
  H     11.15782450      5.72992340    -15.31163277
  H     12.21742359     10.02761571    -11.42698095
  O     16.11825151      7.16866696    -17.46514032
  H     11.77173467      6.61957167    -14.20648475
  H     12.36463225      7.05225468    -12.01835560
  O     16.14508782      6.43251231     -9.38851000
  H     15.27281877      9.56971793     -9.50495597
  H     11.40533797      8.18716929    -12.42114588
  O     18.57313275      7.80564180    -16.59915835
  H     16.02764377      8.32733765     -8.98411174
  H     18.21847312     10.25878451    -12.11788434
  O     14.65298512      5.64081636    -15.64849707
  H     14.52908949      6.82167664    -11.94487738
  H     16.99785056     10.67940688    -12.94358868
  O     18.91500710      7.78734968    -13.77122699
  H     14.54820775      6.68610327    -10.41461814
  H     18.43966168      7.10452786    -12.21065408
  O     15.28246533     11.55112980    -16.91605945
  H     15.10214733     10.17684294    -13.49626911
  H     18.14287034      7.92271345    -10.95445355
  O     15.19156640      8.90332122    -14.69071721
  H     14.80531387     11.68577813    -13.42387922
  H     17.58055384      9.65807535     -9.83154255
  O     11.37105161     10.05585235    -11.90242662
  H     15.58212523      6.60256956    -16.89015093
  H     19.09463346      9.95861212     -9.72164656
  O     11.62788141      7.26808992    -12.60608701
  H     15.53306076      7.83625896    -17.83746286
  H     13.81276496      9.21976379    -19.15447477
  O     17.92236625     10.40473656    -13.02482775
  H     16.42078796      5.69361049     -8.85211101
  H     13.67293945      9.05665152    -17.62244836
  O     17.97075063      7.06354137    -11.36225761
  H     16.80887144      6.52803674    -10.09313334
  H     14.37348915     10.21530017    -11.48974882
  O     18.41446534      9.68829842    -10.33305495
  H     19.22068148      7.52462937    -17.23942392
  H     13.93885877      8.80495664    -10.95435113
  O     14.30382385      9.25534487    -18.33738701
  H     17.70417469      7.51271894    -16.93083086
  H     13.93117589     13.61102635    -14.94815018
  O     13.88026185      9.75843746    -10.79115634
  H     13.70964747      5.76181130    -15.49125960
  H     14.43813406     12.29966379    -15.59074079
  O     13.99897490     12.67116582    -14.80388704
  H     15.07771497      5.78242942    -14.79258910
  H     12.37941434      9.44914693    -15.65158713
  O     12.79534975      8.73364908    -16.15787912
  H     18.82729302      7.66441671    -14.72310373
  H     12.41540185      7.89452851    -15.87152180
          69
 Energy    -248.42604646973075     
  O     13.48968894     11.81140222     -8.35530203
  H     13.22698031     11.74403310     -7.44014495
  H     10.05784218     13.47603356    -12.98428455
  O     10.93931554     11.07522672    -14.73080054
  H     12.68262021     11.98752744     -8.86393389
  H     13.41881759     14.67649326    -11.33559080
  O     14.08195671      9.47575976     -9.97990873
  H     10.93715805     11.95895533    -14.33665364
  H     13.40114062     13.31472813    -12.05158162
  O     18.47980223     13.25554520    -13.03781000
  H     11.05226437     11.19645140    -15.68149919
  H     11.69940362     14.09548893    -15.20089829
  O     11.37484162     12.22082988    -10.11557437
  H     14.03616266     10.20939900     -9.35790294
  H     12.00068002     13.39134492    -16.53830161
  O     11.60261216      9.69214804    -11.24838734
  H     13.18376553      9.38013710    -10.32528468
  H     14.00999067     11.32856833    -12.98654885
  O     13.11138737      9.85379425    -13.51255772
  H     19.37151777     13.30710205    -12.70490888
  H     15.29807357     12.00111977    -12.39691065
  O     15.03054885     15.53189156    -10.90584526
  H     17.98567087     12.66837639    -12.43715846
  H     16.51815293     12.46520667    -15.33763454
  O      9.25107352     10.16249083    -12.61662803
  H     11.47886616     11.34816201    -10.52708220
  H     17.78378849     12.25161784    -14.50405222
  O     14.85975319     13.45450740    -15.21041270
  H     11.88538154     12.86550502    -10.63023484
  H     11.49787079     11.42620606    -18.26932051
  O     14.21025899     10.99204018    -16.60896445
  H     12.18387565      9.66891296    -12.02475533
  H     12.59704587     11.32667511    -17.18327835
  O     10.82410459     13.63492732    -13.54805974
  H     10.70270250      9.68167726    -11.60304463
  H     15.37862749      9.12085269    -11.09857311
  O     12.82467090     13.98821115    -11.65320784
  H     13.89177730      9.63350634    -14.03570156
  H     16.56956247      8.19128815    -11.41537395
  O     12.29844203     14.10246826    -15.95798314
  H     12.42430272     10.21524042    -14.09133000
  H     15.89105468      9.25453039    -13.64201928
  O     14.43909759     12.17345280    -12.79980365
  H     15.49222923     15.40027464    -11.75370955
  H     16.28538665     10.28120461    -14.72589661
  O     17.18774050     11.80583013    -15.11725072
  H     15.20862483     16.42869125    -10.63565144
  H     16.55309763     12.10192819    -10.70666288
  O     11.69186245     11.64101163    -17.36132444
  H      8.97070098     11.02044527    -12.27765294
  H     16.75546208     10.72753147    -11.46784307
  O     16.13576581      8.99280178    -11.69790686
  H      9.71158277     10.35129293    -13.44592813
  H      8.31805921     13.21668557    -10.96067531
  O     15.68188482      9.54477449    -14.53777767
  H     14.69857189     13.00099786    -14.36743589
  H      9.75130857     12.64589123    -10.88999444
  O     16.91150622     11.67835587    -11.50357538
  H     14.01056983     13.81282727    -15.50893096
  H     15.81674150     14.71750532    -14.03043314
  O      9.01050021     12.82873946    -11.49023094
  H     14.47795590     11.84157917    -16.23597642
  H     17.11510755     14.55227385    -13.21770643
  O     16.29672347     15.06286594    -13.26939438
  H     14.72286741     10.33266602    -16.13080419
  H     15.48819966     13.95380027     -9.89231018
  O     15.74616686     13.10196219     -9.51943608
  H     11.54061787     13.87817814    -12.94410050
  H     14.97073799     12.74040765     -9.07364747
          69
 Energy    -248.42599561668169     
  O     12.06807440     10.30810923    -15.09832995
  H     12.46284487      9.59616531    -15.62008979
  H     14.92865468      5.45943433    -15.08411765
  O     16.20354008      6.95199799    -12.66470586
  H     12.62595678     11.08496990    -15.21977793
  H     20.45078301      8.26135391    -15.03021901
  O     17.49908931     11.11048172    -11.97498785
  H     15.57704629      7.04941850    -11.93503418
  H     19.18587629      7.40482585    -15.26476571
  O     17.30236306      9.67366606    -15.86407503
  H     17.00331861      7.45057882    -12.44330789
  H     15.97566372     11.69937471    -17.92810030
  O     13.02755134      5.60691250    -15.02060644
  H     16.63187723     11.35711766    -12.31972236
  H     16.47198264     11.09318359    -16.60820193
  O     14.87757604     10.35595360     -8.60101955
  H     17.47506910     11.29763868    -11.02781679
  H     15.49692562      8.29000128    -13.65045396
  O     14.30261653      7.47005036    -10.73827235
  H     18.13194824      9.32525722    -15.52055863
  H     14.53377775      8.72544967    -14.80277485
  O     14.87917576     11.43890762    -12.96152063
  H     16.62327459      9.48691858    -15.19691295
  H     10.32028722      9.61011912    -12.58643895
  O     15.98272407      7.53932989    -17.21319320
  H     12.78887824      5.98798035    -14.15545739
  H     11.52498018      9.77133506    -13.54287552
  O     15.73771348      7.61299860     -8.35817741
  H     12.40587705      4.90520438    -15.19348928
  H     18.28670707      8.44377133    -10.34960450
  O     18.39267478      6.09493261    -16.17616336
  H     15.05259242      9.43062215     -8.38979188
  H     17.96165207      9.50698336     -9.28283338
  O     15.87585295      5.63521022    -15.04607553
  H     14.27229754     10.35169603     -9.35463498
  H     11.93044690      7.65386448    -12.71459260
  O     19.51978518      8.20717273    -14.82839870
  H     14.72845585      7.39229507     -9.87556162
  H     13.01872839      6.87065979    -11.95933132
  O     15.87796241     11.76338059    -16.98083386
  H     14.04466683      8.39798843    -10.83807045
  H     18.10249112      9.47731511    -12.20572762
  O     15.20729394      9.03855474    -14.18728139
  H     14.97820481     10.56381179    -13.37312547
  H     18.88940047      8.43246981    -13.05529809
  O     11.25135559      9.42397531    -12.67493952
  H     14.52178277     12.00492420    -13.65366491
  H     16.44833154     11.05951818     -8.93215339
  O     18.04495437      8.55458963     -9.42141336
  H     16.48373418      8.29464593    -16.87690585
  H     17.60740258     12.00140046     -8.53023370
  O     12.39802541      6.80995188    -12.69666029
  H     15.95798908      6.89743639    -16.48763352
  H     13.94440913     10.67371223    -11.61184476
  O     18.39418560      8.55058490    -12.23770786
  H     16.60130802      7.87708892     -8.72508091
  H     12.59970570      9.92940438    -11.47316237
  O     17.36073243     11.32042473     -9.14988106
  H     15.91594061      7.06390402     -7.59999658
  H     13.58979428     13.45388800    -15.57985650
  O     13.42587000     10.11894947    -11.01151242
  H     17.64572741      5.70969414    -15.69496818
  H     14.56062781     12.30694846    -15.93908851
  O     13.83739849     12.56406128    -15.34172846
  H     17.99216115      6.45245034    -16.97344864
  H     14.22337524      7.99865040    -16.76347561
  O     13.44460026      8.13074502    -16.20555436
  H     16.03809903      6.00799429    -14.16582634
  H     13.18805576      7.25706458    -15.88185041
          69
 Energy    -248.42596838679037     
  O     15.30221003     10.00909028    -15.82162831
  H     15.98014829      9.57083112    -16.34967989
  H     15.30954807      2.98272902    -17.05464699
  O     13.62776777      3.55954217    -16.27538140
  H     14.55442984      9.39709387    -15.75002878
  H     19.60561363      5.66869963    -16.78090477
  O     17.87736902      6.11046340    -11.79418644
  H     12.75511353      3.32027231    -16.57782923
  H     20.90780355      4.98381951    -16.30389972
  O     18.68629918      6.36611515    -18.09242640
  H     13.80967853      4.45292641    -16.61529281
  H     17.20562765      7.77381103    -16.28442029
  O     16.28820896      5.14436700    -19.11173559
  H     18.66189446      6.31539957    -12.32203118
  H     18.18961104      8.94335927    -16.07138261
  O     13.50746556      6.20486901    -10.19711892
  H     17.19418495      6.72262340    -12.10904195
  H     16.90363345      5.57945301    -15.30230779
  O     14.24897140      4.12601702    -13.59814505
  H     18.38944857      7.23466379    -17.78763716
  H     16.34927885      6.81831422    -14.50254702
  O     16.02117624      7.72770748    -12.94518809
  H     17.91308729      5.95025387    -18.49144907
  H     13.48460505      7.41312666    -16.16261346
  O     17.72313977      3.92094445    -15.30685690
  H     16.22238873      4.87721511    -20.02493086
  H     13.21244296      7.66177821    -14.66098330
  O     13.35514000      3.44996476    -11.02810309
  H     16.29100390      4.32814442    -18.57934409
  H     15.86104846      1.84011737     -9.77818109
  O     19.01048421      9.57574339    -14.46493768
  H     13.14959757      6.61826819     -9.41593454
  H     14.91492251      2.82652496    -10.50568745
  O     16.19448666      3.00785077    -17.43664889
  H     14.44254124      6.01043577    -10.00573768
  H     15.08455724      6.20775787    -16.47077817
  O     20.05686423      5.29257780    -16.00383654
  H     14.07327988      3.82416530    -14.49701070
  H     14.91530951      5.88316754    -17.96298062
  O     17.60172629      8.54400780    -16.72384256
  H     15.18254148      3.97628405    -13.39913680
  H     19.54434246      7.79426024    -13.91746181
  O     16.44468278      6.42469167    -15.37865884
  H     15.08195564      7.49799700    -12.92347930
  H     19.90850789      6.39042526    -14.44602047
  O     13.30071432      8.10379279    -15.51400777
  H     16.10788573      8.68050637    -13.05784620
  H     17.27758435      4.52364214    -12.37331937
  O     15.84793916      2.63845765    -10.29851076
  H     18.61798414      4.26172689    -15.43218835
  H     16.64550888      3.18494405    -11.91637284
  O     14.41408834      6.03755699    -17.15357802
  H     17.58723290      3.70442880    -14.37421977
  H     16.81281433      5.74502570    -10.28241001
  O     19.76059257      6.89686646    -13.63857639
  H     13.51793994      3.58215128    -11.97299051
  H     16.09567011      4.48746690     -9.76226813
  O     16.90314925      3.68983853    -12.69654359
  H     13.23321097      4.33610355    -10.66608930
  H     13.69996285      5.82365207    -13.26593659
  O     16.08846239      5.45125118     -9.71452269
  H     18.20043346      9.91906554    -14.05650670
  H     13.32935925      6.65098561    -12.01891721
  O     13.46173544      6.71654617    -12.97360360
  H     19.65461160     10.27958658    -14.42490245
  H     16.04142548     10.37363393    -14.34513619
  O     16.53004897     10.44610175    -13.50221864
  H     16.78820024      3.22828217    -16.70368843
  H     16.19224782     11.21155892    -13.04662980
          69
 Energy    -248.42596303205301     
  O     13.24792392     11.45619794     -8.60714311
  H     13.22921700     11.00474193     -7.76777349
  H     15.74469881     14.29860384    -16.46538019
  O     11.79067605     10.82869254    -14.83932549
  H     13.16294774     10.77023801     -9.29626993
  H     13.50575993     14.55436009    -11.50409180
  O     13.02622953      9.62668830    -10.55449373
  H     11.83750919     11.05885548    -15.77619686
  H     13.48268587     13.27349056    -12.36722749
  O     18.29392103     13.08744690    -13.15552380
  H     11.52239001     11.64081579    -14.38638990
  H     11.55536584     14.04801270    -15.17790257
  O     11.22294112     12.92950492     -9.92137454
  H     13.79701721      9.35803215    -11.06390092
  H     12.08469867     13.53474510    -16.52426416
  O     14.30557862      9.74522169    -14.58019236
  H     12.27243159      9.62183668    -11.16227189
  H     15.34551084     12.06521830    -12.76730998
  O     14.94400576     15.41756565    -10.70991642
  H     18.12553311     12.75888122    -14.05736117
  H     14.44946948     11.49744040    -13.88668732
  O     10.91370691      9.73186910    -12.34814839
  H     19.23097361     13.25453162    -13.09470835
  H     17.38104382     12.88659171    -16.24576827
  O     14.72570246     14.48878502    -15.06957082
  H     11.81331163     12.43451909     -9.34161330
  H     17.32953437     11.39015452    -15.88737393
  O     14.77767953     11.81563171    -17.96999363
  H     11.80527900     13.32838919    -10.58324801
  H     13.06998014     11.81481019    -17.66602129
  O     10.87426964     13.20503315    -13.62750039
  H     14.52485264      9.38283768    -13.71168581
  H     11.64751149     11.70233433    -18.26162703
  O     16.31613041     14.08635524    -17.22512335
  H     13.36561180      9.97344662    -14.61608980
  H     15.89436163      8.27109770    -11.80613889
  O     12.91411373     13.91591937    -11.91900237
  H     15.52209934     15.42658199    -11.49397954
  H     15.88654571      9.81525798    -11.90359734
  O     12.12091911     14.28882175    -15.92364963
  H     14.99625508     16.28465200    -10.31760851
  H     16.53082198      9.05795807    -16.71527094
  O     14.63966965     12.29657875    -13.38397505
  H     11.12836743      9.93785881    -13.26526838
  H     15.55770235      9.81942098    -15.78330403
  O     17.75535983     12.22315148    -15.65240042
  H     10.28804258     10.41280400    -12.06975966
  H     16.31748655     11.87768114    -10.87536522
  O     12.12204087     11.83445006    -17.44513554
  H     13.81054268     14.56448145    -15.37685633
  H     17.32091904     11.92944876    -12.08306632
  O     15.36612147      9.01387377    -12.08764523
  H     14.75442439     13.70069899    -14.50715270
  H      9.94476481     12.31054720    -10.91709507
  O     16.26240180      9.93221203    -16.44493944
  H     15.28353735     12.62753448    -17.84257554
  H      8.44682984     12.07865524    -11.23182224
  O     16.64368824     11.39364692    -11.65257091
  H     15.29546405     11.11752372    -17.55103814
  H     17.09716279     14.58630793    -13.02507414
  O      9.32298171     11.98712012    -11.59505819
  H     10.19300046     12.85169535    -13.04291918
  H     15.85854230     15.18393425    -13.73340186
  O     16.43631179     15.28645015    -12.96537855
  H     11.55749455     13.57254224    -13.04675352
  H     14.73580745     12.42324147     -9.25060127
  O     15.52581952     12.81212238     -9.64729618
  H     16.51530677     14.91050643    -17.66066230
  H     15.30553865     13.71869662     -9.89131113
          69
 Energy    -248.42566794750701     
  O     14.41008785      9.05464986    -17.16064747
  H     15.26786564      8.63292149    -17.33506447
  H     15.87358272      2.11656353    -15.76713623
  O     14.18358504      2.40178849    -14.86720047
  H     14.08638039      9.37200645    -18.00056213
  H     19.50158824      5.52982928    -16.84356128
  O     17.84309834      7.37973394    -12.12392815
  H     13.41278759      1.84410160    -14.93553327
  H     20.94446646      5.29151836    -16.34139514
  O     18.36420403      5.62448548    -18.18457794
  H     14.05030617      3.14663173    -15.48236683
  H     16.74669470      7.17931155    -16.68052268
  O     16.10271436      3.86409763    -18.41973103
  H     18.55736062      7.50899947    -12.76400692
  H     17.50125521      8.51833654    -16.93682894
  O     13.59605562      7.17685245    -10.21725467
  H     17.03701987      7.67770541    -12.57219215
  H     15.50752546      5.48143302    -15.69844732
  O     14.64764829      4.25025786    -12.80562420
  H     17.64480118      4.99307096    -18.30582198
  H     16.96167281      5.29890237    -15.19514949
  O     15.63566249      7.95336295    -13.63397085
  H     17.93338106      6.48628502    -18.10942430
  H     12.95158168      6.96192312    -14.90289597
  O     18.14698917      3.97514289    -14.69460952
  H     16.00739887      3.34730143    -19.21601474
  H     13.39589664      7.71579277    -16.19166222
  O     14.01217297      4.33138976    -10.07622207
  H     16.33129828      3.23877063    -17.70727836
  H     15.69359446      4.21022865     -9.57234898
  O     18.40556715      9.77789065    -15.91869147
  H     13.19603276      7.78638636     -9.60261917
  H     16.86017133      3.72466441     -8.67780639
  O     16.66595767      2.26600732    -16.29602914
  H     14.55810615      7.23131614    -10.07481926
  H     14.60246417      4.50425321    -17.32812700
  O     20.06235773      5.50526303    -16.04816701
  H     14.53077399      3.53571374    -13.44259153
  H     13.60126686      5.37841349    -16.44386384
  O     16.91309593      7.86825619    -17.34409633
  H     15.59562320      4.38422563    -12.67389117
  H     19.20034940      8.43555259    -14.82220718
  O     16.30078336      5.96078765    -15.43188666
  H     15.92414896      7.29016201    -14.27870100
  H     19.75323932      6.99584558    -14.88338085
  O     12.97104593      6.91336615    -15.86681108
  H     14.77519974      7.64889696    -13.32113156
  H     17.57383181      5.59772062    -12.13284381
  O     16.65526249      4.27216893     -9.43049066
  H     18.93287965      4.43867761    -15.01024726
  H     17.26006548      4.39237596    -11.21195779
  O     14.07876256      4.53724005    -16.51924355
  H     18.03960217      4.13096838    -13.74579549
  H     16.50870465      6.20905925     -9.53278189
  O     19.52111078      7.70750482    -14.27601416
  H     14.11303747      4.17061196    -11.02533989
  H     16.92216848      7.33968189    -10.48944980
  O     17.37749953      4.64876083    -12.13446128
  H     13.71541113      5.24694700    -10.00586762
  H     13.69892153      5.80814516    -12.99715582
  O     16.29336350      7.11316645     -9.79146240
  H     17.55047204     10.06998210    -15.55454966
  H     13.21126441      6.92371098    -12.05210447
  O     13.27571486      6.68031093    -12.98467773
  H     18.89439590     10.56629810    -16.13922456
  H     15.27802223     10.11263488    -15.75786960
  O     15.89598513     10.31443018    -15.04563013
  H     17.27135495      2.76129925    -15.72492236
  H     15.79092653      9.58269815    -14.41873596
          69
 Energy    -248.42549225303262     
  O     16.32252881     10.09946070    -11.61324302
  H     15.53894710      9.71094738    -12.02366501
  H     13.01948601     10.30622214     -9.22528586
  O     15.15536200      5.72515580     -6.41434347
  H     17.05724292      9.48024569    -11.73581901
  H     12.67332052      9.96901297     -5.50035786
  O     16.49063387     12.76192487    -11.10543223
  H     15.40402708      5.04675113     -5.79339223
  H     13.30825801      9.92091389     -6.90917613
  O     12.72902379      6.90475998     -7.31704404
  H     15.43014126      6.57847679     -6.02933625
  H     17.90022927      4.89438583    -12.29453880
  O     14.11062534      8.79233498    -12.65575409
  H     16.41069062     11.82209522    -11.34558464
  H     19.01875672      3.85140528    -12.44982406
  O     18.35255416      8.27952888    -11.74091647
  H     16.27638816     13.26710249    -11.88521235
  H     15.71291459      6.06377998     -8.13281040
  O     20.28916441     10.05352397    -10.75736147
  H     12.79419013      7.75428422     -6.86488121
  H     15.90059551      7.37871097     -8.94633872
  O     18.60655737      6.27695340     -9.80724477
  H     13.47508839      6.38289053     -6.99718900
  H     16.91328554     12.54127887     -7.55600739
  O     11.95772167      6.71333063     -9.90409711
  H     13.98637156      8.55982575    -13.57303493
  H     17.92684879     13.07981002     -6.51628600
  O     15.43581041     12.72925842     -8.45637144
  H     14.23378997      7.95642828    -12.17365770
  H     16.16248778      9.52440900     -9.85263294
  O     12.19315757      9.48330124    -10.61011281
  H     18.42093123      7.58600098    -11.06839373
  H     16.59095239      9.36332551     -8.34416955
  O     13.62817594     10.55696038     -8.51690256
  H     19.08143237      8.88683620    -11.55680045
  H     18.17126572     12.48667278    -10.27790740
  O     13.22474440      9.43814220     -6.06925386
  H     21.16611541     10.33486190    -11.00425356
  H     18.68129870     12.26422450     -8.84524604
  O     18.54889448      4.36701416    -11.79985986
  H     19.82891779     10.83998657    -10.41383696
  H     16.47811595      8.68962748     -5.93591597
  O     15.96898055      6.41188254     -8.99482131
  H     17.70093835      6.23216851     -9.46850484
  H     14.95314410      8.71152981     -5.63620898
  O     17.79339218     12.39339472     -7.16421805
  H     18.71654798      5.52864972    -10.41035118
  H     15.00456688      6.35356555    -10.49686088
  O     15.91441129      9.14527304     -9.00112403
  H     12.22962303      6.76932188     -8.97015302
  H     13.52229308      6.42790715    -10.89105003
  O     18.93359027     12.17929239     -9.77238139
  H     11.14987200      6.20693655     -9.92182738
  H     20.02176919      8.98773678     -9.15611607
  O     15.75846568      8.19171826     -5.52494894
  H     15.69494773     12.83385321     -9.38067000
  H     19.44138477      7.60740670     -8.80246585
  O     14.41518490      6.45357871    -11.25940223
  H     14.71674272     12.08468143     -8.44837038
  H     17.83477636     10.55517258     -6.94093471
  O     19.72293563      8.44812878     -8.41563123
  H     12.00129242      8.57242095    -10.35221702
  H     18.49308529      9.20093434     -7.39085760
  O     17.71311184      9.59872381     -6.97278729
  H     12.76151487      9.40897063    -11.38534310
  H     17.26173312      6.95968499    -12.69352446
  O     16.76721666      6.16796189    -12.94177407
  H     14.42820467     10.02487289     -8.65473478
  H     15.94185805      6.18737066    -12.44268169
          69
 Energy    -248.42543552317366     
  O     11.02859349      9.48093931    -10.66020185
  H     10.48191295      9.41858802    -11.45484135
  H     16.64202272     11.39294284    -13.33827093
  O     13.22452721      7.74587325    -15.14273820
  H     11.77564206     10.04466800    -10.89313525
  H     16.19764793      7.96444758    -14.06268438
  O     17.67117531     10.08291350    -16.31335819
  H     13.24282929      6.90867538    -14.66163097
  H     14.69699106      8.30457407    -14.27215754
  O     12.00795142     10.00041218    -14.18452435
  H     13.71712639      7.66534948    -15.97457167
  H     10.47149406      6.73560194     -9.17085438
  O     16.26829259      5.27100763    -10.82860656
  H     16.85360252     10.39803953    -16.71815651
  H     11.06043888      7.82802925    -10.09650799
  O     13.37528399      5.57116227    -13.38013914
  H     17.77448140      9.17672177    -16.62717408
  H     18.65316098      9.12471050    -12.97455229
  O     14.88103001      8.63963405    -11.10889049
  H     12.40253431      9.20272689    -14.57030670
  H     18.35061886      8.15687982    -11.79738563
  O     15.17696868     10.72431005    -17.53435679
  H     11.11706486      9.75094439    -13.91389801
  H     10.73955824      6.39611004    -11.76130315
  O     16.05986642      4.49482119    -13.40889530
  H     15.34354083      5.46880694    -10.62074740
  H     11.45103345      5.99619647    -13.07194158
  O     14.82675690      7.90506126    -17.33921007
  H     16.77096090      6.05120780    -10.56905585
  H     19.21514061     11.41128802    -13.92159040
  O     17.62963859      7.34356336    -17.11619306
  H     13.42987013      5.80960716    -12.44290743
  H     18.19216060     10.57880416    -14.72399774
  O     15.68936045     11.26267288    -13.29259508
  H     14.20402063      5.11481816    -13.56447101
  H     17.04316198      5.88555708    -14.13064913
  O     15.48193445      8.53236780    -13.75783484
  H     14.28491115      9.39713386    -11.13956450
  H     18.02237620      7.09402616    -13.84359366
  O     11.05057347      6.87061998     -9.91575174
  H     15.14523875      8.49265579    -12.03159781
  H     17.56901621      8.19973476     -9.32198024
  O     18.73003100      8.20734716    -12.68281249
  H     14.66901914     11.11190307    -16.79960572
  H     16.48115276      8.24560908    -10.41901933
  O     10.64283836      6.38676080    -12.72249593
  H     15.03186202     11.28469105    -18.29191578
  H     14.52615449     11.74293935    -14.68511560
  O     18.45628752     10.84192526    -13.82305181
  H     16.27482460      3.56986017    -13.49924025
  H     13.11355462     11.24397831    -15.05637810
  O     17.46886453      6.66167027    -14.51365342
  H     16.18344775      4.71994339    -12.46865384
  H     12.77596729      6.35130078    -10.27825189
  O     17.35442167      7.88190189    -10.19568865
  H     14.87112707      8.86047595    -17.47968811
  H     14.03762790      7.11173071    -10.76284571
  O     13.87512835     11.72909293    -15.39945140
  H     15.74357466      7.60669307    -17.34604632
  H     12.82219710     10.51915150    -12.63018831
  O     13.65115647      6.22792522    -10.66381512
  H     17.61906357      7.03056632    -16.19401803
  H     14.11206027     11.19713727    -12.14666930
  O     13.29354072     10.79515084    -11.82855165
  H     18.25453105      6.79834233    -17.58615087
  H      9.98252597      7.98533401    -13.06350180
  O      9.66512558      8.90514418    -13.10737747
  H     15.57648625     10.32262055    -13.50693072
  H      8.75258073      8.86953293    -13.38056817
          69
 Energy    -248.42513997598559     
  O      1.81278736      0.83595655      3.61705057
  H      2.60740238      1.06085052      4.09337669
  H     -4.50168795      4.18319608      1.20216888
  O     -1.12261914     -1.90914300     -3.24666966
  H      1.19988212      0.43823044      4.26239006
  H     -2.13358590      3.26658064      0.70894462
  O     -0.06136545     -0.11669369      5.34698182
  H     -1.75681779     -1.49795567     -2.64197156
  H     -0.95392611      2.47137471      0.06032991
  O     -2.46833779     -0.70968903     -1.09927829
  H     -0.83731576     -2.71896260     -2.80720087
  H     -3.46273293      0.48231569      1.16510653
  O     -0.09079934     -3.98617508     -1.50179765
  H     -0.74937902      0.53687479      5.51749543
  H     -4.26486583      1.66717966      0.61676605
  O      1.79070172     -2.07081179     -1.08193967
  H     -0.49398961     -0.97525385      5.27137550
  H     -1.67353336      0.93680533      2.68108404
  O     -4.15387812      2.62106325      3.94677931
  H     -1.68370184     -0.16563101     -0.93727721
  H     -1.69046746     -0.59461670      2.42109184
  O     -3.77905209     -2.78206094      4.32004339
  H     -3.20783259     -0.22054466     -0.71576005
  H     -1.49721994     -3.58350923     -0.37128797
  O     -0.49592430      2.38149995      3.09648468
  H      0.33261949     -4.80279508     -1.75227780
  H     -2.33117827     -2.28485207     -0.25769774
  O      0.95176439     -0.15301896     -3.04476308
  H      0.62137808     -3.34905556     -1.31088268
  H      0.64022681     -1.14426172      1.57930876
  O     -4.63497579     -0.13850088      3.94117739
  H      1.67816165     -1.41695830     -1.78298900
  H      1.63432903     -0.03425329      1.97036172
  O     -3.98579921      3.38945231      1.31753684
  H      1.77188407     -1.57294228     -0.25396594
  H     -1.44175983      2.95666033      6.10216291
  O     -1.17313395      3.22434035      0.62506448
  H     -3.40442094      2.60323410      4.55256360
  H     -1.27003630      2.43939412      4.65413670
  O     -4.14113183      0.71703596      0.51122491
  H     -4.54386490      1.73888452      4.01678684
  H      0.30974863      0.45989673      0.00472850
  O     -2.24760973      0.19085536      2.47183918
  H     -4.03717726     -3.13644884      3.46097094
  H      0.22515319      0.70034683     -1.52388837
  O     -2.16599308     -3.14117258      0.16687578
  H     -4.16333641     -1.89602647      4.36632984
  H     -2.13537163     -2.77205972      4.78111603
  O      1.28791573     -0.52092085      1.21421116
  H      0.38228021      1.98632281      3.13039065
  H     -0.95915754     -3.44333867      5.53157894
  O     -1.73807510      2.28270689      5.49444481
  H     -0.63281057      2.78438032      2.22599470
  H     -1.19049295     -2.60026061      1.62596712
  O     -0.22272929      0.87770335     -0.68703666
  H      1.26600815      0.17780664     -3.88153410
  H     -0.79067932     -2.46996471      3.14799949
  O     -1.17310141     -2.73331877      4.93258482
  H      0.21386251     -0.75859781     -3.23861104
  H     -3.66128857     -3.50200150      1.09272429
  O     -0.65646237     -2.10848429      2.26320157
  H     -3.77037136     -0.01831190      3.51922445
  H     -4.89106958     -4.39294321      1.36734430
  O     -4.44994402     -3.59495065      1.65040277
  H     -5.23988694     -0.42657130      3.24015666
  H     -5.44156400     -0.47528977      1.14864967
  O     -5.94085471     -1.09658364      1.69724732
  H     -4.04017032      3.16029367      2.26232479
  H     -5.50828899     -1.95252679      1.59644542
          69
 Energy    -248.42489597205815     
  O     -4.25097662      2.86767807     -3.30175892
  H     -4.86741082      3.24620323     -2.64841594
  H     -0.85701084      0.75249343      1.80893897
  O     -3.56238745     -1.73121518      1.81828128
  H     -4.45068595      3.27687803     -4.13938012
  H     -1.89143149      2.52717968      1.11260387
  O     -1.46424738     -0.63926121     -1.73697843
  H     -4.26649799     -2.21033336      1.36367000
  H     -3.24785518      2.05054451      0.53883165
  O     -5.16774063      0.47738701     -2.11268030
  H     -3.88812282     -1.46279465      2.68825586
  H      1.85320645      0.14012522      0.76674542
  O     -5.54299092     -2.79507251      0.13823836
  H     -1.64551541      0.29706073     -1.89838272
  H      0.78027626     -0.96045711      0.84193609
  O     -3.94823274     -2.00175068     -1.90649209
  H     -0.55149894     -0.79516622     -2.01161247
  H      2.52319129      2.66639422      0.99392406
  O     -1.82747201      2.13531800     -2.05474596
  H     -4.84168957      0.56436032     -1.20164914
  H      1.50445091      2.14099281     -0.04526704
  O     -1.08828985     -0.86544253      1.02318248
  H     -4.80068624      1.20974359     -2.62178917
  H     -8.33887929      1.19940188     -1.89654504
  O      1.31729056     -0.79370495     -2.16731321
  H     -4.96899157     -2.58253360     -0.61973554
  H     -6.84194695      0.89309992     -1.65896059
  O     -6.23769021      0.87215958      2.61517984
  H     -5.83387479     -3.69540350      0.01661405
  H     -3.46035867      2.24384588      3.80226496
  O     -4.42343868     -0.61557018      4.22086591
  H     -4.44988700     -1.21867342     -2.17360736
  H     -2.04882557      1.65045046      3.51073680
  O     -0.70413312      1.64994374      2.14292936
  H     -3.03145617     -1.70172451     -1.86792931
  H     -6.89886284     -1.43783040      0.54137888
  O     -2.60292987      2.77483581      0.50757789
  H     -2.04149110      2.42552260     -1.15535830
  H     -7.65247654     -0.14624217      0.12280267
  O      1.67673393     -0.77789630      0.52680213
  H     -2.55708725      2.43388448     -2.60906265
  H     -3.94887460     -0.13802335      0.85960634
  O      1.77823452      2.08109435      0.88757776
  H     -1.86521470     -1.30708634      1.39041482
  H     -5.06014489      0.87022366      1.18449753
  O     -7.65192723      1.22235255     -1.23354317
  H     -1.24166034     -0.78558392      0.07113726
  H     -3.76369800      4.10068609      0.68010399
  O     -2.84176771      1.53837771      4.04583757
  H      1.93597971     -1.34775745     -2.63467045
  H     -4.18830041      5.57946546      0.84734291
  O     -7.52542064     -0.77111865      0.84761085
  H      1.52984010     -0.86874228     -1.21927881
  H     -6.64039252      2.99829735     -1.14568123
  O     -4.36131800      0.67581313      0.54510239
  H     -6.81964095      0.28712777      2.10773064
  H     -5.62830189      4.04707160     -0.59969336
  O     -4.53079646      4.69132905      0.77761232
  H     -5.74816040      0.31907801      3.23803445
  H     -4.88390720      3.81675543      2.47766949
  O     -6.01092781      3.67850876     -1.40656606
  H     -3.80415229      0.13946680      4.21498733
  H     -5.51888623      2.53970744      3.06332208
  O     -4.89115625      3.25036742      3.25592328
  H     -4.50673443     -0.89845077      5.12691539
  H      0.04770991      2.17626599     -1.92848718
  O      0.97773243      2.02225031     -1.71763230
  H      0.18304823      1.89466135      1.85369299
  H      1.16879105      1.12395620     -2.01501072
          69
 Energy    -248.42482496464186     
  O     16.29864318     12.01100675    -11.16199731
  H     16.53498800     11.88904914    -12.09476914
  H     14.71754930      7.98229570     -8.32088246
  O     11.95777796     11.84597329    -13.20920897
  H     17.03162700     11.60063578    -10.68694173
  H     19.46697614      7.04412306    -11.56790098
  O     12.52454638      9.20720063    -10.20291460
  H     11.66998538     12.38344343    -13.94234377
  H     19.00314849      6.77292483    -13.01351417
  O     13.21922069      6.92021954     -8.72679486
  H     12.66663682     12.34345254    -12.76283645
  H     18.47732825      9.11799955     -8.85846797
  O     10.86271437     11.45614802    -10.56615758
  H     12.63458225      8.40551971     -9.67899071
  H     17.35755772      8.38195697     -8.10446842
  O     13.80681283     13.22837942    -11.77223523
  H     13.22990697      9.81494565     -9.93668248
  H     11.87002476     12.54145007     -9.60561773
  O     19.67092737     10.06880101    -12.85208830
  H     13.50200395      6.38720416     -9.49297671
  H     12.15551024     13.66513582     -8.57808075
  O     17.83323363      5.51349964    -13.82853117
  H     12.74101611      6.33705351     -8.14422517
  H     12.34447854     10.03034353    -13.18391129
  O     17.19845997     11.34601281    -13.67144058
  H     11.24587051     10.58840583    -10.37717799
  H     12.60402564      9.09394090    -11.98216755
  O     16.31021226      8.33940009    -11.01085607
  H     11.04719553     11.61880207    -11.49958020
  H     19.80009486      5.78719945     -9.34765560
  O     16.81403491      5.56561428    -11.21840636
  H     13.43069671     13.35570719    -10.89295248
  H     18.85232223      7.00115178     -9.23004817
  O     15.47783292      8.57715971     -8.33081734
  H     14.71635135     12.93760917    -11.62869424
  H     15.61407586      7.65455802    -14.33245598
  O     19.51704461      7.38207361    -12.46981868
  H     19.63373372      9.09912698    -12.77155914
  H     14.68224831      6.44549192    -14.29628653
  O     18.30695645      8.35914919     -8.28270734
  H     20.54152512     10.28183161    -13.17759102
  H     12.15587771      6.05802061    -13.81101069
  O     12.57752448     13.05401723     -9.17516935
  H     17.02793340      5.93633396    -14.17925212
  H     12.78417870      7.38068004    -13.32584861
  O     12.63414026      9.13958205    -12.95027404
  H     18.09683468      4.85293213    -14.46286479
  H     13.67486216      5.81265746    -11.76869393
  O     19.12894492      6.27543290     -9.81698207
  H     18.05727894     10.93685746    -13.51065072
  H     14.98044339      5.46446898    -11.00645824
  O     15.55953227      6.72125806    -14.58359572
  H     16.56852877     10.61637834    -13.76514643
  H     17.66009217      9.55030409    -10.65250061
  O     12.94812369      6.42870082    -13.42901193
  H     16.49965623      7.40579470    -11.16502382
  H     18.91597979     10.29188427    -11.13610286
  O     14.02516597      5.57118420    -10.90353114
  H     15.96153565      8.40060563    -10.11237471
  H     15.73433900      8.98058079    -12.57376744
  O     18.31779430     10.21078055    -10.38308404
  H     17.58728199      5.66975149    -10.64765166
  H     14.44413277      9.31483638    -13.35376700
  O     15.40151696      9.24462164    -13.44544801
  H     17.14708685      5.42112973    -12.11416091
  H     15.08544050     11.30470357     -9.97647360
  O     14.47741431     10.98242845     -9.29622381
  H     15.14273455      9.47332014     -8.48068017
  H     13.88706333     11.71601008     -9.08357614
          69
 Energy    -248.42478058496604     
  O     17.26152167     12.09915677    -12.88625281
  H     16.73425296     12.75065747    -12.40735356
  H     14.32898327      6.75805375    -11.40219445
  O     11.38341758     11.40897858    -14.60860937
  H     17.34673641     11.33850286    -12.29812604
  H     11.48269403      6.38076682     -9.66083101
  O      9.71076999      9.40288790    -13.41324054
  H     11.92817812     11.02501302    -15.30655824
  H     10.59652528      6.82273632     -8.47346550
  O     13.45512287     12.15101278    -13.01656329
  H     10.80201832     10.71216503    -14.28207563
  H     14.53808727     13.27710814    -12.09014806
  O     15.44874094     11.00934272    -14.63608411
  H      8.76459405      9.51129407    -13.46155298
  H     15.04338345     14.63738168    -11.55940501
  O     15.43191622     11.50457048     -9.79698191
  H      9.94814057      9.41897350    -12.46784547
  H     13.57474564     10.98247457    -17.27542464
  O     16.94482685      9.64719634    -11.29872712
  H     14.16037628     11.73983329    -13.53531875
  H     14.19671582     10.76149418    -15.87947932
  O     14.56552185      4.80702850    -13.53320702
  H     12.64196731     12.03772012    -13.53001036
  H     15.28968736      8.05310267     -9.02675165
  O     13.53216510      8.15920409    -12.20758331
  H     15.57891608     10.08880302    -14.36282031
  H     16.67007907      7.68154236     -8.44235326
  O     11.71747386      4.64610750    -13.24832946
  H     16.15667491     11.50598750    -14.20221770
  H     11.97690994      4.81881754    -11.38166055
  O     10.53715790      9.38332556    -10.84415882
  H     15.46762362     12.35543976    -10.25201257
  H     13.18634451      5.26073159    -10.53783379
  O     14.82514832      6.01705340    -11.01832573
  H     16.01532403     10.90946249    -10.28875619
  H     16.12743147      5.92544275    -16.03805312
  O     11.13662320      7.15662543     -9.18518433
  H     16.81954208      8.98529817    -10.60642623
  H     15.20443653      5.77834656    -14.80395208
  O     15.25521878     13.70823297    -11.59587272
  H     16.67269283      9.21820462    -12.12151903
  H     13.92332834      7.31962115    -15.92516173
  O     13.44357997     10.52661264    -16.44728830
  H     14.80922997      5.11335771    -12.64896270
  H     13.22548307      8.67336716    -16.22961881
  O     16.19372380      7.77870478     -9.26314286
  H     13.61784780      4.63156246    -13.49790715
  H     11.97444610      7.44737075    -14.68723373
  O     12.23993653      5.06852329    -10.48773974
  H     12.75523269      7.90093499    -12.71945039
  H     10.77938043      7.96059840    -13.80325248
  O     15.53630186      6.40990567    -15.46867653
  H     13.31701281      8.93745774    -11.68219482
  H     12.79983304      7.98829598     -8.80978202
  O     13.06297218      7.74994720    -16.00140879
  H     11.55565229      5.57568124    -13.48630031
  H     13.39662305      9.32481652     -9.25120068
  O     11.46116811      7.28315225    -13.87858367
  H     11.09497409      4.12181459    -13.74524735
  H     15.00186741      8.37521896    -13.15684636
  O     13.60309346      8.52140992     -8.76291774
  H     11.31843270      9.93321856    -10.70564573
  H     15.89738348      7.78840944    -14.27731524
  O     15.84000638      8.49947545    -13.62899621
  H     10.66221834      8.59897253    -10.29499492
  H     13.07160113     11.11001464    -11.57487798
  O     13.08421805     10.58920312    -10.75984586
  H     15.44240907      6.42052268    -10.39970383
  H     13.87732054     10.89839990    -10.29427812
          69
 Energy    -248.42476580364161     
  O     10.94941893      9.99494110    -12.26138040
  H     11.82371467     10.40590564    -12.27269201
  H     17.62612545      9.04346469    -16.33766989
  O     14.47830766      7.73565708    -15.47481749
  H     10.68141053      9.91171844    -13.18488613
  H     16.82624229     11.33127362    -12.70591285
  O     17.27474954      8.82137263     -9.68135011
  H     13.92596741      8.52615839    -15.38472267
  H     16.41749764     12.02479771    -14.01389284
  O     17.09127438     12.10225755    -15.77455227
  H     14.08514306      7.02917863    -14.94480992
  H     16.63241303      8.96084597    -13.19330197
  O     13.11530612     10.09654741    -15.15783605
  H     17.34964442      7.86121250     -9.83326511
  H     15.59322866      8.16637105    -14.07695224
  O     15.01652337      4.59979077    -10.42185501
  H     17.63242701      8.99387646     -8.81490848
  H      9.75768001      7.49499103    -10.73815566
  O     13.46980610      5.81532783    -13.76415555
  H     17.37530391     12.90286039    -16.20729738
  H     10.68459669      8.42428268    -11.55763257
  O     14.73156657      8.72677304    -10.91490144
  H     16.32164399     11.77179841    -16.27195650
  H     17.18671615      6.82924611    -13.07909435
  O     15.01611381     10.94207864    -17.06317510
  H     13.31380261     10.35929916    -14.24775079
  H     18.69536374      6.72948555    -13.29127139
  O     15.75053586      4.36633285    -13.20828433
  H     12.17014519      9.90511088    -15.20421456
  H     11.66857692      6.32710453    -14.10604292
  O     16.24129213      8.35562691    -17.43071832
  H     14.66347482      3.91087304     -9.86417619
  H     10.62864563      6.89328625    -13.11879914
  O     18.21379573      9.48159705    -15.71067937
  H     14.29387771      5.23027262    -10.57762188
  H     18.70167537      9.47298887    -12.58927799
  O     16.11129370     11.83322022    -13.11971935
  H     14.23070693      5.21698110    -13.73051667
  H     17.83332135      9.61738045    -11.30437528
  O     16.04305462      8.19753252    -13.22514536
  H     13.33903948      6.11067229    -12.85340197
  H     19.20661460      8.72098219    -14.51629797
  O     10.53644169      7.49951819    -11.28792421
  H     15.14375695      8.47703407    -11.75974376
  H     20.62593020      8.41847791    -13.98184403
  O     17.93218649      6.21042281    -13.01576497
  H     15.46715251      8.86600196    -10.30837859
  H     17.70761970      6.11092392    -11.17106629
  O     10.81987960      6.78512345    -14.05904273
  H     14.28956462     10.73754676    -16.45843130
  H     16.60956013      5.62236594    -10.20688734
  O     17.99821652      9.99129920    -12.17996429
  H     15.37854832     10.09549109    -17.35139379
  H     13.65982209      7.32206970    -10.89795153
  O     19.70050132      8.33778920    -13.76745844
  H     16.59270183      4.83440033    -13.26687205
  H     12.20642892      6.78377119    -11.01360158
  O     17.38874784      6.18804961    -10.26127877
  H     15.56317609      4.29333254    -12.26391574
  H     14.46208019     11.28843209    -12.70895350
  O     13.13389067      6.51813399    -11.02864485
  H     15.61173036      8.01365497    -16.77163539
  H     13.93385045     10.11425899    -11.86591622
  O     13.65861376     10.78502057    -12.50421416
  H     16.26546319      7.72167670    -18.14251626
  H     10.56048442      8.36969081    -14.75016072
  O     10.44844735      9.30381291    -15.00333503
  H     17.93988857     10.40683466    -15.69052109
  H      9.68248128      9.34870268    -15.56867642
          69
 Energy    -248.42471264262323     
  O      1.62924796      0.79709355      3.78922474
  H      2.40773289      1.18545257      4.18071258
  H     -4.34161048     -1.12572108      4.75422637
  O     -1.13547493     -0.81213954     -3.52158966
  H      1.17136417      0.31386502      4.49902914
  H     -4.53131814      2.73726068      2.66664708
  O      0.13623061     -0.41135649      5.74882268
  H     -1.81836401     -0.60800686     -2.86706607
  H     -5.03991956      3.84856942      1.72119810
  O     -2.63817896     -0.25999313     -1.20998213
  H     -0.79371707     -1.68066897     -3.27724471
  H     -1.84065018      1.49275438      4.96209457
  O      0.04268131     -3.16035515     -2.30326975
  H     -0.64312863      0.13390775      5.92819566
  H     -2.67200925      0.27200593      5.48182468
  O      1.76205247     -1.29103808     -1.33621300
  H     -0.15331751     -1.31669112      5.84736947
  H     -2.60398603      3.26088343      1.28166912
  O     -4.66987420      1.97707102      4.24473715
  H     -1.89951810      0.28101772     -0.89371319
  H     -1.32862530      2.69088391      0.58438552
  O     -2.32976440     -3.59622005      3.57030525
  H     -3.40848885      0.01559811     -0.69673792
  H     -3.68969017      0.20865714      1.32612402
  O     -0.94577132      1.94319934      3.46434100
  H      0.52924323     -3.87372720     -2.70725004
  H     -4.58647321      1.40560210      0.95141823
  O      0.82011890      0.95763284     -2.84403929
  H      0.70199492     -2.54823066     -1.92885351
  H     -1.82955172      0.53952329      2.71394111
  O     -6.06381696     -0.53731104      4.35930789
  H      1.61653498     -0.50180718     -1.87270137
  H     -1.71718424     -0.92047774      2.16633553
  O     -3.38533946     -1.25890632      4.74025703
  H      1.70279038     -0.99946804     -0.41718666
  H     -1.39319217     -3.13127448     -1.14376122
  O     -4.47618362      3.08017091      1.75659638
  H     -3.95200487      1.85941210      4.87557069
  H     -2.33697835     -1.96732052     -0.75296148
  O     -2.27692814      1.11728377      5.74457685
  H     -5.20794421      1.17700058      4.29722995
  H      0.59867183     -1.12384078      1.49363551
  O     -1.64154131      3.32203495      1.24676373
  H     -2.97305636     -3.77091316      2.87136427
  H      1.42966187      0.04397777      2.08186386
  O     -4.42035855      0.47847445      0.74432109
  H     -2.72742959     -2.91347833      4.12702022
  H      0.06365972      0.77136867      0.23766830
  O     -2.33812515     -0.21784493      2.39384699
  H     -0.00625414      1.73245057      3.48850910
  H     -0.00379187      1.34458410     -1.20162157
  O     -2.07975493     -2.87136033     -0.51627065
  H     -1.11126418      2.55808102      2.73368399
  H     -1.04735261     -2.60599645      0.97585367
  O      1.13203663     -0.35012941      1.25421560
  H      1.12286828      1.50213177     -3.56522688
  H     -1.06985950     -2.87391976      2.50708152
  O     -0.48509643      1.29117817     -0.36602503
  H      0.12552736      0.37474049     -3.20009382
  H     -3.36942693     -3.53594497      0.56775656
  O     -0.63012810     -2.36127246      1.81297676
  H     -6.03963809     -0.95580723      3.47954383
  H     -4.39083098     -4.63816536      0.91141298
  O     -4.01759946     -3.81982973      1.23247958
  H     -6.91714735     -0.73321144      4.73591309
  H     -5.43763284     -0.90266378      1.39037622
  O     -5.78631581     -1.64199541      1.90900812
  H     -3.07943886     -0.90659552      3.88861089
  H     -5.23499916     -2.40309597      1.69605758
          69
 Energy    -248.42471159345780     
  O     13.49848099      7.80143510     -9.63834219
  H     13.92995319      8.64731985     -9.85659326
  H     18.89868143      8.13597097    -15.23400331
  O     16.97422536      5.10644196    -13.57386593
  H     12.97814143      7.95097255     -8.85408017
  H     14.27105910     10.89584390    -14.17403610
  O     17.03993146     11.75900457    -13.19762811
  H     17.10106466      5.18045636    -14.53246983
  H     15.29373885     10.35879778    -15.22718868
  O     11.10505630      7.56911240    -15.60327050
  H     17.82990084      5.19893313    -13.13836866
  H     16.26233961      6.79611187    -13.31599561
  O     17.85421304      6.99857623    -10.35608678
  H     17.23504609     12.69174359    -13.15548216
  H     15.90108444      8.07552251    -14.13204469
  O     12.97932073      5.77906789    -14.37681301
  H     16.30597956     11.66531879    -13.82463809
  H     14.97739865      5.24981404    -11.03129509
  O     13.04208775     10.33410844    -12.95414628
  H     11.52415676      7.71071863    -16.46160866
  H     14.69323742      6.38055365    -10.01213714
  O     12.75146659     10.66847038    -16.70185358
  H     11.58493137      6.83829771    -15.19601941
  H     20.05587545      5.23322950    -11.79572528
  O     17.14916649      5.59449683    -16.24603333
  H     17.68815702      7.91469747    -10.60445345
  H     18.84799345      6.14113207    -11.44646837
  O     15.98210552      8.82499163    -15.77445086
  H     16.99189115      6.55959667    -10.29223775
  H     15.47107480      4.39413736    -13.00515411
  O     14.51078359      6.63403932    -16.58504367
  H     13.41385324      5.04832142    -13.92259481
  H     14.63218927      3.19592940    -12.51086659
  O     18.62473527      8.06823737    -16.16636176
  H     12.95364862      6.48363803    -13.70959997
  H     16.73243713      8.82434520    -12.25055341
  O     14.89779092     11.16613787    -14.86203797
  H     13.10109365      9.38158290    -12.78486602
  H     17.24946007     10.30175847    -12.20446006
  O     15.84957515      7.66683801    -13.25804137
  H     12.21744563     10.44182013    -13.44352261
  H     18.74612413      8.73458052    -12.91351097
  O     15.37142842      5.76721077    -10.32170571
  H     12.03097664     10.61984164    -16.06046725
  H     19.40348354      7.35658938    -13.10835755
  O     19.33216828      5.71819954    -12.18142204
  H     13.51664075     10.98821107    -16.20927528
  H     12.74402589      9.13628879    -17.55129412
  O     14.59305728      4.13546850    -12.67430666
  H     16.25814936      5.86056641    -16.50973191
  H     12.38206580      8.34792537    -18.83243339
  O     17.25103062      9.45754968    -11.72730003
  H     17.70874873      6.37553262    -16.33783495
  H     15.56260672      9.99464203    -10.84694806
  O     19.26085715      8.21104736    -13.53584479
  H     15.45507181      8.09638195    -16.13195352
  H     14.14187480     10.39772158    -11.31029493
  O     12.64939465      8.24111359    -17.92355540
  H     16.90661312      8.66265577    -16.00329043
  H      9.88220601     10.34063600    -14.62584996
  O     14.65119299     10.09267578    -10.54902214
  H     13.88777809      7.09536185    -17.16166069
  H     10.86518644      9.18623378    -14.92716863
  O     10.80977343     10.12548132    -14.67555684
  H     14.00276677      6.29686671    -15.83361218
  H     13.18473721      7.59866431    -11.45524561
  O     13.25878261      7.64403936    -12.41566942
  H     19.35180768      8.39129645    -16.69136562
  H     14.20656902      7.61829596    -12.63057541
          69
 Energy    -248.42445595133415     
  O     18.98342594      9.48674145    -15.19051999
  H     19.19002747      8.55811461    -15.35099190
  H     20.21306088      6.81375270    -14.70266363
  O     21.40834057      7.32421655    -13.44423671
  H     18.09248326      9.61577792    -15.53522697
  H     18.65540116      3.59588487    -13.78393263
  O     16.24116902      8.42398239     -9.62725482
  H     20.99475709      8.06857707    -12.99203454
  H     19.43731646      4.70916189    -14.52630986
  O     13.12631066     10.24673997    -11.83555852
  H     21.42052047      6.58572513    -12.82268680
  H     15.87102409      9.57555410    -13.12129159
  O     16.31214572      9.39860371    -16.24332772
  H     15.82584085      7.62033032     -9.97402663
  H     15.44401043      9.54680146    -14.61421923
  O     11.58613237      7.85473942    -12.12895225
  H     15.52093326      9.02398495     -9.39544736
  H     18.01302226      6.37490375    -12.20054706
  O     18.80906373      5.68804451    -10.72356030
  H     12.47250289      9.54878056    -11.96795943
  H     17.45019074      7.72605526    -12.71521099
  O     14.78557868      6.28147810    -10.65164309
  H     13.77525492     10.14028063    -12.54341333
  H     14.34705795      7.87398203    -13.45057884
  O     21.17223018      4.87550726    -11.95792433
  H     16.06887138      9.78522112    -17.08059037
  H     14.42888191      6.34722104    -13.75364047
  O     16.54244107      4.09203974    -10.94420037
  H     16.47140121      8.45181207    -16.40765430
  H     18.77435921      7.58532666     -7.76122909
  O     16.89967256      2.97136068    -13.37097016
  H     10.81043496      7.57774325    -12.60947427
  H     17.82875790      7.92252135     -8.92571442
  O     19.35465746      6.61735941    -15.10816781
  H     12.35205526      7.46468875    -12.58467476
  H     13.68593915     10.74550894     -8.75467256
  O     19.53751129      3.96012477    -13.92807522
  H     19.69405413      5.42010496    -10.99860657
  H     13.67527686     10.15183097    -10.18278226
  O     15.10550573      9.50561060    -13.71170288
  H     18.88525129      6.31681368     -9.99276695
  H     20.52363948     10.52766342    -12.57343179
  O     17.61491900      6.81013053    -12.96704851
  H     14.56121672      6.50338270    -11.56423546
  H     19.64026711      9.76122082    -13.58614445
  O     13.93803007      7.01710691    -13.25992074
  H     14.00941737      6.51586736    -10.12191339
  H     16.02906645      4.42541742    -14.18997502
  O     18.70735751      7.56856162     -8.71287448
  H     20.63144358      4.46740909    -12.65896387
  H     16.39525123      5.88214824    -13.86109250
  O     13.94894161      9.98314716     -9.26307243
  H     21.88812534      4.27286515    -11.77593820
  H     17.82986647      6.63081095    -16.29833834
  O     19.95744708      9.76487197    -12.66403382
  H     17.37686015      4.53772253    -10.74223780
  H     16.40048362      6.19234054    -15.94918199
  O     15.79392877      5.33717043    -14.39637362
  H     15.85519116      4.75145443    -10.78317184
  H     12.08581470      7.55556385    -10.28567985
  O     16.90556145      6.76418156    -16.54318272
  H     16.66722255      2.04708404    -13.35398976
  H     12.95038885      8.28886772     -9.24575048
  O     12.57459702      7.42688864     -9.46228160
  H     16.74430956      3.31759987    -12.47235875
  H     18.20040684      9.59651447    -12.04956418
  O     17.25392628      9.40903634    -12.01747507
  H     18.71117226      6.69858330    -14.38423367
  H     17.00569422      9.15541385    -11.11821217
          69
 Energy    -248.42443303220580     
  O     16.59386257     11.50823242    -10.75153674
  H     16.87291772     10.72359059    -10.26497747
  H     13.01203090      7.48358609    -14.30405459
  O     16.40491255      6.14224111     -7.17161091
  H     15.77824345     11.80663558    -10.32294263
  H     13.61188068     12.17532125    -10.44831812
  O     15.56551757      5.78251461    -12.22823653
  H     15.77121331      6.82622302     -7.42913727
  H     13.69621892     11.43171805     -9.09858205
  O     11.89063140      5.61283716    -11.73895483
  H     17.23233129      6.37396263     -7.61169829
  H     13.53346035     10.15164646    -14.55422681
  O     17.48108158      4.70280942    -10.42467073
  H     15.01967689      5.74716158    -11.42822610
  H     14.77705711     10.99796794    -14.16736869
  O     15.53688370      3.92171192     -8.45768688
  H     15.81541340      6.71309097    -12.33840334
  H     19.54031637      6.56644031     -8.84801940
  O     17.01096680      8.88386391     -9.72738933
  H     12.35650248      5.57461684    -12.58136796
  H     18.27410428      5.98026631     -9.51761235
  O     10.92764551      9.20108822    -10.02311054
  H     12.56773130      5.62771435    -11.04836379
  H     14.39092861      5.03758598     -9.41740280
  O     14.71081438      8.01140337     -8.43650048
  H     16.86753911      4.27523568     -9.81380314
  H     14.17581959      6.57532735     -9.42923173
  O     13.33808460      9.16850893    -11.56148894
  H     16.94833853      4.99083139    -11.17666828
  H     11.79254185     11.74482303    -12.06115574
  O      9.68637151      7.05367117    -11.31745394
  H     15.84889712      4.65450942     -7.89528117
  H     13.08130192     11.74362500    -12.94567610
  O     12.72649085      8.39560263    -14.17985588
  H     15.41156649      3.16797611     -7.88827993
  H      9.85502488      8.21081648    -12.84629216
  O     14.13117977     12.10272379     -9.63436190
  H     17.65390168      8.21095529     -9.47242449
  H     10.90267878      8.71607643    -13.86841812
  O     13.84432532     11.05420300    -14.41264822
  H     16.72749855      8.68246846    -10.63152447
  H      9.99691195     10.38479789    -12.55730750
  O     18.60101658      6.69735201     -8.94576518
  H     10.59914478      9.93568226    -10.55963799
  H      9.25261756     11.64143776    -12.03907988
  O     13.99258076      5.76071546     -9.91829330
  H     10.45670271      8.41503276    -10.32882251
  H     12.03167492      9.71684000     -8.71266551
  O     12.74933645     11.86683503    -12.04301702
  H     15.47763386      8.42454105     -8.85985656
  H     12.31590835     10.29137872     -7.30636419
  O     10.04255773      8.91775422    -13.47618489
  H     14.06610069      8.70637710     -8.26341086
  H     13.67067749      4.98443139    -14.75165997
  O     10.03627029     11.11414716    -11.91152394
  H     12.59062051      8.94833392    -10.99699347
  H     14.33069946      5.63742294    -13.51643509
  O     12.73914636     10.00305132     -8.11198368
  H     13.27896825     10.12511265    -11.70171019
  H     17.25922093     11.35085013    -13.82779292
  O     13.54605285      5.65969525    -14.08951278
  H     10.45951657      6.48033953    -11.47472918
  H     16.54538015     11.23533166    -12.46015259
  O     16.52011413     10.93837669    -13.38933730
  H      8.94484659      6.47848406    -11.15177726
  H     16.21493273      9.23048337    -12.76946044
  O     15.91574681      8.47399952    -12.25021005
  H     12.92219139      8.61011991    -13.25532222
  H     15.02022299      8.68768113    -11.94402247
          69
 Energy    -248.42442261798161     
  O     18.27989907      8.63675943    -10.06946754
  H     18.62391576      9.16065232     -9.33516599
  H     16.93735769     12.60306199     -7.56612096
  O     14.25095842      8.53440103    -10.15682603
  H     17.53715635      9.10522861    -10.47426005
  H     17.11491050     11.37866111    -11.01319665
  O     19.13516006      3.70504484    -12.13001376
  H     14.66216024      8.83727169     -9.32504197
  H     18.57736420     11.86318317    -10.99606308
  O     21.69698522      6.77437906    -11.60882619
  H     13.30878265      8.62035124    -10.04222284
  H     19.45739356      9.44924864     -7.19802787
  O     15.50165151      9.41328512     -7.95629888
  H     18.25723977      4.03869102    -12.35231490
  H     18.66917576     10.68728806     -7.76150053
  O     18.45637425      6.80144856    -14.05581357
  H     19.73261204      4.10464293    -12.77336209
  H     19.27114896      8.05954459    -12.95828495
  O     22.99950860      8.03274307     -9.48328736
  H     22.28156147      7.14212569    -10.93487220
  H     19.26169076      8.55870717    -11.48516617
  O     17.00661313      7.42216276     -6.77494232
  H     21.07722609      7.48094439    -11.84643679
  H     21.59248768      5.01231515    -14.35212744
  O     21.18714187      6.58126294     -7.78828074
  H     16.01525270     10.22534817     -7.90459354
  H     21.28152594      5.77980603    -13.04841572
  O     19.70845535      8.03900919     -6.04958132
  H     15.99551791      8.73410468     -7.47194246
  H     16.23097763      5.36178564    -12.22585031
  O     17.71145642      6.11947527     -9.15283854
  H     19.28063829      6.30816799    -14.14688103
  H     16.03792382      4.40570373    -13.42466386
  O     17.18588309     11.76755262     -7.95179992
  H     17.81275632      6.18050318    -13.68230128
  H     15.47264698      9.45061257    -11.18275960
  O     17.71390005     12.01596368    -10.59674549
  H     22.53168385      8.88723453     -9.52341242
  H     16.35194785      9.55562915    -12.47260053
  O     19.39426262     10.07320804     -7.93291174
  H     23.90181901      8.22340102     -9.24213539
  H     17.26007082      8.19197987    -14.24326346
  O     19.75844469      8.59321265    -12.31986067
  H     17.87358415      7.60859498     -6.39798761
  H     16.31931540      9.11262918    -15.03291348
  O     20.87577785      5.32273903    -13.80438251
  H     17.17843965      6.82182900     -7.51374291
  H     20.88100097     10.30831326     -8.93934115
  O     16.68362797      4.95314862    -12.98599182
  H     20.82485360      5.91320603     -8.38352588
  H     21.23626012     10.75662059    -10.36892056
  O     16.25643778      9.86796278    -11.56240354
  H     21.85177002      7.05958029     -8.29805897
  H     20.51183759     11.73929130    -12.67844913
  O     16.64236879      8.93227750    -14.15315125
  H     20.08317776      7.94016758     -5.17873396
  H     20.05390768     10.35720944    -12.16357914
  O     21.60247079     10.33402190     -9.58458838
  H     20.23108392      7.47189055     -6.64530851
  H     15.03524347      6.86044028    -10.63303090
  O     20.20373337     11.28068591    -11.90041610
  H     18.51294786      5.62106024     -9.34849861
  H     16.22298073      5.98334534    -10.17350965
  O     15.52636767      6.05907714    -10.84228714
  H     17.88753009      7.02104349     -9.46663664
  H     20.69255163      5.63981790    -10.46282862
  O     20.17420948      5.02053270     -9.93297638
  H     17.36212631     11.93406126     -8.89598587
  H     19.79998964      4.39864547    -10.57353616
          69
 Energy    -248.42433024640138     
  O     -7.23904987      2.59380553      0.14361304
  H     -6.87263571      2.24505516      0.96329279
  H     -4.63245427      0.31595199      3.53157603
  O     -4.29306715      2.53359712     -3.54608096
  H     -6.53812515      3.11554882     -0.27381649
  H     -0.64507870      0.91023170      1.33752071
  O     -5.86463693      1.09095611      2.21397882
  H     -4.22324881      2.86183925     -4.43868309
  H     -0.96977235      1.88442118      2.51369807
  O     -3.18311876     -1.56639840      1.63536142
  H     -3.38634248      2.45330946     -3.20231670
  H     -1.80302954      2.81124926      0.70390358
  O     -1.42187872     -0.51400843     -2.00909978
  H     -6.42969123      0.32663472      2.02417460
  H     -3.17177901      3.40170103      1.09224989
  O     -5.30169817      0.28565111     -2.18763550
  H     -5.16345304      1.02466031      1.54591460
  H      1.10563725     -0.72873162      0.25726288
  O     -5.08500177     -3.06868597      0.22724714
  H     -3.40933661     -0.76654199      1.13184651
  H      2.06586233      0.45580504      0.04958545
  O     -3.83416931     -2.05120538     -1.95939503
  H     -3.77854178     -2.24815709      1.30370275
  H      2.34537989      2.98356140      0.78145498
  O     -1.90468976      2.29527046     -2.24582010
  H     -0.54791447     -0.60069249     -2.41151354
  H      0.98238894      2.25833128      0.85985154
  O     -0.73294561     -0.75971509      0.68172633
  H     -1.68117413      0.41160844     -2.10457765
  H     -8.81312528      0.44482640     -1.59318272
  O      1.28662215     -0.50684871     -2.80903795
  H     -6.24394786      0.32530167     -1.97630686
  H     -7.76135723      1.23647899     -0.77615260
  O     -3.80236864     -0.03497409      3.87508912
  H     -5.08052672      1.03558819     -2.75241660
  H     -1.73709109      2.09882002      4.95675889
  O     -0.57365615      1.83039375      1.63432167
  H     -4.63265019     -2.76727201     -0.58147417
  H     -2.60362894      1.19340067      4.04851036
  O     -2.60610262      3.20060821      0.32855738
  H     -5.28168864     -3.99327542      0.10225025
  H     -7.42366753     -0.72839725      0.25312637
  O      1.93577057     -0.47499736     -0.16992928
  H     -4.41959626     -1.31217112     -2.17934116
  H     -6.44228478     -1.78861232      0.79684363
  O      1.78942064      2.35511987      0.32747748
  H     -2.94477909     -1.67975070     -1.99730204
  H     -3.48759948      1.54130736      0.20046060
  O     -7.92076697      0.40509865     -1.26112669
  H     -2.12049790      2.71322716     -1.40298932
  H     -4.41491076      0.56745673     -0.59508722
  O     -1.99312830      1.95342826      4.04980490
  H     -0.94807899      2.38960549     -2.37415406
  H     -4.25377088      3.89180102     -0.67966192
  O     -7.06419520     -1.10220039      1.06668418
  H     -0.99615649     -0.69047273     -0.24788802
  H     -4.91677046      3.52096864     -2.01293033
  O     -3.95331572      0.69965633      0.24364261
  H     -1.45882096     -1.21126239      1.13116147
  H     -3.40699909      2.97768774      3.21448706
  O     -5.10240091      3.86628157     -1.13115468
  H      1.60819989     -0.57571552     -1.89196112
  H     -4.81883458      2.72752946      2.64885996
  O     -4.07274084      3.33725121      2.61395357
  H      1.86521117     -1.03981599     -3.34710931
  H      1.20381411      2.40202443     -1.49808315
  O      0.81211065      2.28548913     -2.37258254
  H     -3.53614821     -0.71272841      3.23811917
  H      1.06158367      1.39693205     -2.65620750
          69
 Energy    -248.42431582423259     
  O     13.75461533      4.33732978    -16.20917538
  H     14.45572131      4.88508060    -16.60850582
  H     14.24988655      4.20751480    -14.42107631
  O     12.95862312      8.12113926    -12.51991651
  H     13.59590029      3.61341639    -16.80848745
  H     14.27794166      9.49992233    -10.03444334
  O     13.44336722      6.21214621     -8.69031488
  H     13.68001033      8.13711151    -13.16716711
  H     13.61829101      8.41389787    -10.92198835
  O     11.86480328      6.34174580    -15.45879512
  H     12.56066745      7.24197450    -12.55910565
  H     15.49494544      9.10415739    -14.12464285
  O     16.27434137     10.76950295    -16.66564902
  H     14.30783017      5.78355099     -8.68672422
  H     14.89800789      8.22666641    -15.25335161
  O     15.65319885      5.92934522    -17.21203852
  H     13.58783336      7.09473446     -9.05806727
  H     18.76824833      5.50148631    -15.41726348
  O     14.86966562     11.26148437    -10.35675048
  H     12.46421659      5.67190833    -15.81063474
  H     17.50272657      5.92866603    -14.65955726
  O     15.95113526      4.86516383     -9.15411496
  H     11.71562350      6.09196778    -14.53879205
  H     12.30878595      9.61213318    -13.34542373
  O     14.66202532      8.54206081    -17.04952718
  H     17.14545105     10.93527745    -17.01961779
  H     12.11764288     10.00504060    -14.81479740
  O     11.81046450      4.57298185    -10.10974291
  H     16.36742047     10.81789186    -15.70146763
  H     13.31608366     11.51873423    -13.27154278
  O     14.35954013      3.42285168    -10.81640502
  H     15.36565433      6.84910019    -17.28244401
  H     13.76584915     12.99499446    -13.17060125
  O     14.42880960      4.30837725    -13.47791238
  H     16.48692546      5.92492430    -16.72172376
  H     11.80613781      5.20810477    -11.86231419
  O     14.07180441      8.56017742    -10.07672655
  H     14.85257144     11.99514071     -9.74641236
  H     12.86445185      5.09972338    -12.98642286
  O     15.05816696      8.26103296    -14.30247560
  H     14.51362709     11.58915704    -11.19734593
  H     11.20596406      9.01178201    -16.96803397
  O     17.89314338      5.85893084    -15.54446406
  H     16.44353816      4.27854374     -8.58652073
  H     11.88504170      7.98336046    -16.03664910
  O     12.22215058     10.37768382    -13.93203528
  H     15.44536739      4.30182453     -9.76738703
  H     15.96855816      6.92276389    -13.64120850
  O     13.97954807     12.11354376    -12.87576745
  H     13.72921300      8.76963298    -16.94836301
  H     16.55310318      6.48439452    -12.28094575
  O     12.03568213      5.53755781    -12.73948558
  H     15.18063798      9.35954233    -17.03163823
  H     16.73517749     10.45197541    -13.08188715
  O     11.94525061      8.89516592    -16.37659464
  H     12.32734552      5.19403813     -9.56552743
  H     15.51921616     11.28472511    -13.58127381
  O     16.44157228      6.20132076    -13.19663221
  H     11.11242803      4.23654737     -9.55460565
  H     17.13441938      8.94989388    -11.15813185
  O     16.26109725     10.74230279    -13.87621701
  H     13.45296864      3.65316257    -10.57964396
  H     16.50744894     10.34073446    -10.94147905
  O     17.17820928      9.86891125    -11.44991710
  H     14.43228656      3.58011694    -11.76747456
  H     16.45565026      6.41768936    -10.05797477
  O     16.48289007      7.21735472    -10.59849749
  H     15.17083371      4.92376866    -13.38976988
  H     15.64633946      7.67500608    -10.43016920
          69
 Energy    -248.42425751169395     
  O     17.63303917      8.84341781    -15.31222231
  H     16.67803395      8.91069436    -15.18871036
  H     15.94940572      6.80543502    -17.15446152
  O     17.05650591      1.98139161    -13.06052359
  H     17.76408186      8.25271365    -16.06313939
  H     18.73261660      1.95193733    -12.89397150
  O     20.73690282      6.24243299    -13.02337407
  H     16.78444546      2.18437540    -13.96805622
  H     19.98781588      1.18790677    -12.40861694
  O     14.17306800      4.27285674    -16.19529804
  H     16.38257660      2.32983274    -12.46772848
  H     13.49406387      7.48470232     -9.63521270
  O     18.54144146      4.72929971    -15.91429744
  H     20.31289842      5.71101360    -12.33205499
  H     11.97088886      7.57718866     -9.89481654
  O     13.47884956      4.48795426     -9.37871849
  H     20.92000148      5.60621318    -13.71997078
  H     18.52576296      4.57010102    -10.80499765
  O     16.61902557      7.65539414    -10.98359626
  H     14.45049983      5.15272966    -16.50912348
  H     19.36007901      3.57037627    -11.69408139
  O     17.01269081      5.08407735     -9.95284668
  H     13.38235061      4.04285854    -16.67499591
  H     14.49647842      4.70069791    -14.43440499
  O     17.80826597      6.89168660    -17.41549076
  H     19.39702728      4.36497305    -15.65767605
  H     15.75244543      5.14029246    -13.61549121
  O     17.48405698      5.50877097    -13.49923122
  H     18.12709448      5.02643485    -15.08856531
  H     19.43324278      7.55066349    -12.97668307
  O     20.85550193      3.72789721    -14.69104738
  H     13.92685842      4.00501467    -10.08612110
  H     18.36705383      8.41804536    -13.74393312
  O     15.02704937      6.73569873    -16.87805160
  H     13.14112091      5.30341448     -9.76736979
  H     14.37234725      6.58269037    -12.91958540
  O     19.69754354      2.02418044    -12.76173030
  H     15.84543464      7.64279610    -11.56282229
  H     13.65277153      7.42587339    -11.82591154
  O     12.77510710      7.17945408    -10.21821101
  H     17.37473383      7.90183988    -11.53486945
  H     14.95138334      3.92829256    -12.13691862
  O     19.21205966      4.49881359    -11.48261837
  H     16.61314325      5.09305894     -9.07518575
  H     15.87129914      3.95374599    -10.88765001
  O     14.79147452      5.00801715    -13.56976996
  H     16.90254178      5.97341307    -10.32149161
  H     15.69693182      3.16056740    -15.93862973
  O     18.58208697      8.00415541    -12.89459441
  H     18.29379667      6.94665976    -18.23453255
  H     17.22731470      3.32705349    -15.91759592
  O     14.26982544      7.48052220    -12.56596129
  H     18.12528813      6.09781437    -16.95244552
  H     15.35642099      4.83214650     -6.78433014
  O     15.21725835      3.41695478    -11.35820220
  H     18.00112261      5.00842032    -12.85541813
  H     14.67875654      4.91840987     -8.17491065
  O     16.51514851      2.72178537    -15.67751353
  H     17.74934970      6.43006761    -13.37649968
  H     15.63439236      7.94326260     -9.39548087
  O     15.42354701      5.24787646     -7.63911980
  H     21.68330068      3.34617267    -14.97418807
  H     15.16902781      7.07017954     -8.20824213
  O     14.94251442      7.85331638     -8.72539815
  H     20.48692690      3.12083833    -14.02997735
  H     14.58090727      8.40117777    -14.06183904
  O     14.79233952      8.80734650    -14.91816309
  H     14.87960809      7.44903414    -16.24537027
  H     14.26605400      9.60114020    -14.98044673
          69
 Energy    -248.42418905814895     
  O     14.38864673      6.17186266    -13.69234432
  H     13.80985621      6.11537381    -14.46824315
  H     16.12374530     11.58214046    -15.36493183
  O     18.47010452      8.24006301    -12.46444746
  H     13.87554888      6.50165945    -12.94373552
  H     15.00503848      7.81764096    -14.14337829
  O     18.76174823     10.02175709    -16.61454068
  H     18.64472276      8.13860826    -11.52027701
  H     16.07463780      8.48576283    -15.02999537
  O     10.92270139      8.35060496    -15.63647613
  H     17.90136187      7.49974955    -12.71569831
  H     13.45783128     11.42889230    -13.77181608
  O     16.03128989      8.80491050     -9.36692614
  H     19.24826365     10.52394782    -17.26210111
  H     12.78849721     12.40334992    -12.76922252
  O     13.28808572      7.53539426    -11.50250632
  H     18.18003249     10.65203055    -16.15041752
  H     17.07080906      5.50559420    -11.35108985
  O     14.52435642      7.65872830    -17.93034154
  H      9.97564882      8.27454944    -15.71752480
  H     17.65286329      6.17959183    -10.09266631
  O     14.61211781      6.30121514     -9.37586720
  H     11.10347362      8.61316980    -14.71676033
  H     11.93380048      9.93712722    -12.97761310
  O     16.92947452      7.92831944    -16.60632677
  H     15.47735930      8.02514316     -9.23606231
  H     11.96376750      8.47124196    -12.49010506
  O     12.90565416      6.34738814    -15.96022854
  H     15.69352492      9.24120800    -10.15952339
  H     19.55581088      8.22453736    -13.96134292
  O     18.56538665      5.87424734    -15.59203710
  H     13.60078260      7.03759960    -10.73575272
  H     19.65131793      8.82405392    -15.38759170
  O     17.08234456     11.61811768    -15.27425281
  H     13.85724463      8.31478016    -11.55761433
  H     16.13495597      5.88347189    -13.38245906
  O     15.45759244      8.65526941    -14.30878554
  H     15.38627204      7.76490716    -17.49637537
  H     17.56029497      5.70750296    -13.98694747
  O     13.06125702     11.49721723    -12.88468136
  H     14.70184098      7.36150349    -18.81972577
  H     17.69006357      8.26265214     -9.51828628
  O     17.00641381      5.52629743    -10.38643326
  H     15.44050930      5.94315480     -9.74348989
  H     19.13655001      8.11378748     -8.98602249
  O     11.51255819      9.07706500    -13.09112419
  H     14.35950748      5.72809167     -8.65724619
  H     12.07815085      9.37937088    -16.73775441
  O     19.92866371      8.07779526    -14.84257236
  H     17.56147674      8.65182689    -16.71843182
  H     13.36205554      9.13971268    -17.55222199
  O     17.07942224      5.86929412    -13.16758542
  H     17.43121325      7.14861784    -16.33579704
  H     14.33516135     10.46356383    -12.04569087
  O     18.55432849      7.84765891     -9.69210949
  H     12.16265800      6.95665719    -15.86275624
  H     15.32350400      9.41884446    -12.64692204
  O     12.78213253      9.83504644    -17.21759901
  H     13.44519554      6.70569018    -16.67538512
  H     17.93895110     10.00843527    -12.62107714
  O     14.99869438      9.79934341    -11.81506627
  H     19.10951797      5.18899026    -15.96997194
  H     16.73346166     10.81429428    -12.14516174
  O     17.55436535     10.89647829    -12.63892908
  H     19.16123205      6.60231829    -15.33374240
  H     13.73607606     10.73733567    -16.00230773
  O     14.28974438     10.98247719    -15.24714842
  H     17.27647998     11.45753971    -14.33804397
  H     14.67776907     10.15358849    -14.92793510
          69
 Energy    -248.42387791442462     
  O      0.85847684      0.20500588      3.03015523
  H      1.02678555      1.13682097      3.21665545
  H     -2.55801550      0.56817155      7.00347627
  O     -3.51677674     -0.03576499     -2.22372711
  H      1.23409667      0.00624676      2.15886491
  H      0.45545706      3.31058564      1.76154943
  O     -0.32312969     -1.34986432      5.04737137
  H     -2.68376893      0.45239830     -2.22289387
  H     -0.75326036      3.11910267      0.81535376
  O     -2.45205263     -2.66211157     -2.61075803
  H     -3.26897750     -0.94200831     -2.44565055
  H     -3.25603891      1.54424385      0.33964221
  O     -0.32864782     -1.69102555     -0.97756643
  H     -0.86060084     -0.69053552      5.50126863
  H     -1.87273739      1.72289044     -0.32904528
  O     -3.36738335      3.33508384      2.78060164
  H      0.22582356     -0.86544279      4.41534192
  H     -0.88343801      0.11886278      2.59375183
  O     -4.23070357     -2.65656283      3.60550654
  H     -2.53203533     -3.31441189     -3.30098012
  H     -1.94475517      0.73220658      1.63452425
  O      1.00602906      2.97806304      3.50018379
  H     -2.87319474     -3.03787382     -1.81560197
  H     -2.76025818     -3.28089146      0.33848732
  O     -0.91843399      0.96481418     -1.62824821
  H     -0.90478758     -2.07245629     -1.65149494
  H     -4.26833654     -3.12430609      0.13546500
  O     -5.65509762      1.60925624      2.50331533
  H     -0.63618689     -2.05214973     -0.13299427
  H      1.78839042      0.56807186     -0.08721396
  O     -3.86919320      0.06775034      4.08210372
  H     -3.00271131      3.08463002      1.92364165
  H      1.16617333     -0.83656231     -0.08583335
  O     -2.15392089      0.58859030      6.13938467
  H     -4.22688540      2.90004077      2.81116247
  H     -2.11461235      3.12160022      4.09839042
  O      0.16425347      3.40569268      0.84490659
  H     -3.36731260     -3.05591414      3.76216194
  H     -1.62766319      2.19707809      5.25000591
  O     -2.41853748      2.02366481      0.41378894
  H     -4.15955981     -1.74247631      3.91420525
  H      2.19030822      2.76350017     -1.54195098
  O     -1.79678307      0.03649282      2.28449074
  H      1.62405545      3.50922424      3.99429871
  H      1.13019159      2.70054045     -0.41418885
  O     -3.48016865     -3.50273295     -0.26945579
  H      0.15612815      3.01247529      3.97826979
  H     -1.18763390     -4.32839391      4.45519031
  O      1.70105266     -0.23291023      0.44348995
  H     -0.72083407      0.05008951     -1.37742738
  H     -1.07864484     -2.78609044      4.42536237
  O     -1.37726772      2.94794394      4.70121444
  H     -0.07101474      1.42515116     -1.64758475
  H     -1.66754825     -1.64920418      1.66300578
  O      1.56319951      2.18437846     -1.11843389
  H     -6.57246827      1.86292481      2.43894535
  H     -1.36738027     -3.04997258      2.22537554
  O     -1.52397284     -3.55096917      4.01800742
  H     -5.41041701      1.22993263      1.64294731
  H     -5.02169293     -2.38111490      2.08228963
  O     -1.45471933     -2.55736458      1.40134961
  H     -4.56836726      0.58883286      3.67245688
  H     -6.36180537     -2.44210436      1.31556484
  O     -5.45774261     -2.14640610      1.24366726
  H     -3.12559168      0.05806330      3.45599147
  H     -4.91448341     -0.50217585      0.56501389
  O     -4.70769141      0.37478405      0.21478626
  H     -2.85722275      0.39739742      5.49537157
  H     -4.40668617      0.24031715     -0.69741975
          69
 Energy    -248.42377034752081     
  O     20.58806631     11.49513902    -18.61419466
  H     21.08853341     12.27089389    -18.30226404
  H     16.48185493     12.26361608    -13.01121322
  O     22.45267799     14.14481653    -14.93524683
  H     21.16569927     11.00843415    -19.19548809
  H     20.68199076     16.71408866    -14.10482458
  O     16.66709535     11.78942135    -16.95205169
  H     23.31511600     14.09681983    -14.53137493
  H     21.36223470     17.24233096    -15.37285983
  O     18.36859921     10.14353535    -11.63744441
  H     22.13817242     15.05898238    -14.81285457
  H     18.88347481     12.80049452    -13.00749497
  O     15.41610170     10.08824000    -15.09465115
  H     16.15764851     11.14566738    -16.44527561
  H     18.25805758     11.88976570    -11.92582635
  O     21.84013661     13.69566293    -17.68722037
  H     16.38025259     12.66721283    -16.66033999
  H     17.12437394      9.42428559    -14.52286236
  O     19.93644025     15.72232632    -17.96854343
  H     18.60235722      9.40525507    -11.08246712
  H     18.57768705      9.73318254    -14.91044189
  O     14.97648627     14.91448267    -13.55389400
  H     18.27785031      9.78562308    -12.53751158
  H     16.91898965     16.30274694    -18.47944362
  O     20.09006153     12.74803237    -14.33534546
  H     14.58812195      9.62523798    -15.00332448
  H     16.17999094     15.90198581    -17.20253829
  O     18.03805946     12.66448290    -19.25159038
  H     15.41535229     10.80457072    -14.43267165
  H     18.25290974     16.36512422    -13.03228690
  O     20.63954584     18.14053708    -16.91082389
  H     22.14226045     13.81712139    -16.77980636
  H     18.42443274     17.32181015    -14.27847458
  O     15.58249494     12.12608030    -13.33501456
  H     21.25886529     14.44528550    -17.87624355
  H     17.41791018     17.69485595    -16.45610415
  O     21.50270438     16.66313814    -14.61436801
  H     19.49134542     15.38716276    -17.17414819
  H     18.81148879     18.30692211    -16.18757769
  O     18.19057542     12.76651834    -12.33275075
  H     19.30658870     15.64019785    -18.69513723
  H     17.21757927     15.45091472    -10.95524777
  O     18.03738683      9.30795200    -14.23275133
  H     15.70902611     15.12049639    -12.95198831
  H     17.57868621     14.36674389    -11.99692262
  O     16.50364304     16.67006283    -17.69119241
  H     14.29804883     15.56694386    -13.39711503
  H     19.75951320     10.99746393    -17.03171693
  O     18.88551608     16.73388403    -13.65577812
  H     20.96952207     13.11063354    -14.49839767
  H     18.34872652     11.26250569    -16.45503408
  O     17.95491731     18.13342709    -15.78020761
  H     19.90904175     12.04937903    -14.98146478
  H     19.21109567     14.02303261    -15.25195003
  O     17.18357903     15.25064150    -11.88752487
  H     18.90284982     12.25604834    -19.12785078
  H     18.82156529     15.50108619    -15.00715565
  O     19.23422403     10.94460589    -16.22421733
  H     17.47105419     12.30641191    -18.55602957
  H     17.90665109     14.34465269    -19.65063150
  O     18.76015788     14.77925461    -15.64708119
  H     20.43149710     17.31436315    -17.38072581
  H     17.73509230     15.40844071    -20.75877305
  O     17.91040802     15.30306429    -19.82788065
  H     21.05610761     18.71949416    -17.54380382
  H     15.64731586     14.55907647    -15.27640986
  O     16.09480196     14.36599345    -16.10767178
  H     15.19352261     13.00448000    -13.40154381
  H     17.04190721     14.52136162    -15.95706780
          69
 Energy    -248.42361808544871     
  O     14.81354716     14.79844519    -12.43397304
  H     15.37876904     14.83573018    -13.21952235
  H     12.57632978     12.51107170    -13.39525161
  O     12.80203624     11.33695257    -17.21885249
  H     13.92391942     14.67199061    -12.77973629
  H     13.17459925     13.02174994    -16.69395457
  O     15.33006570      8.07482904    -12.95506309
  H     12.31042019     10.79464446    -16.59164633
  H     14.41068279     13.93886297    -16.66902204
  O     18.85625311     13.77571265    -13.12703907
  H     13.70095561     10.98152602    -17.21681546
  H     12.79076515     14.18753597    -14.78512665
  O     11.92365167      9.67537477    -15.00959671
  H     15.04696264      7.18742325    -12.70156122
  H     11.64606204     14.87654927    -14.00728299
  O     14.03755113      5.65320198    -12.36375831
  H     14.79323282      8.69221066    -12.43695180
  H     18.98358590     12.24714275    -14.21180673
  O     12.69450464      5.97693444    -14.69836367
  H     19.53798976     14.32815638    -12.75516875
  H     18.43589612     10.81776517    -14.12054982
  O     15.49844777     11.73606486    -14.25327998
  H     18.20753200     13.61444666    -12.41577604
  H     15.38107475     10.89247552    -15.83837064
  O     13.80275031      9.84557729    -11.37990996
  H     12.71393122      9.15251791    -15.21123286
  H     16.28074912     10.66528560    -17.05916714
  O     14.23928195      8.19456505    -15.51894446
  H     12.19664998     10.37638681    -14.40021269
  H     10.94370855      8.42854554    -14.23477830
  O     17.93198701     11.64483422    -17.27180853
  H     14.22097295      4.74261805    -12.15111670
  H      9.62482753      7.67609985    -13.94303353
  O     12.93088945     11.61835965    -13.30932109
  H     13.56255991      5.65488264    -13.21478411
  H     15.29418748     10.47926831    -10.64433867
  O     13.51124550     13.86013043    -16.34165221
  H     11.87440982      6.42471819    -14.45441673
  H     16.29910935     10.49330021     -9.47216092
  O     12.38369560     14.28183035    -13.90432767
  H     13.21988039      6.63191342    -15.17837787
  H     17.42556255     14.27046838    -14.22534623
  O     18.84910844     11.44355585    -14.73005751
  H     15.81520074     12.64609668    -14.30876985
  H     16.57718723     14.37265462    -15.54151770
  O     15.43427149     10.41149414    -16.67972885
  H     16.15092461     11.22593987    -13.75753428
  H     17.10830602     10.31874806    -11.96983616
  O     10.56363386      7.65871693    -13.77699397
  H     13.40457159     10.50757576    -11.96215807
  H     16.76350357      9.22211758    -12.99323196
  O     16.17498774     10.78687687    -10.37132554
  H     13.16130396      9.12894451    -11.26243230
  H     11.54156764      7.65647165    -12.13028970
  O     16.53232854     14.37250152    -14.57834933
  H     14.68184070      8.16209938    -14.65854222
  H     12.75825943      6.89641085    -11.57652250
  O     17.28197004     10.03050861    -12.87489924
  H     14.72153692      8.83620074    -16.05629763
  H     16.11930442     13.87119636    -11.55703917
  O     12.17703497      7.64683588    -11.40338172
  H     18.62291643     11.32774757    -17.84737279
  H     16.61724733     12.55577833    -10.90225629
  O     16.91453267     13.38104408    -11.29855802
  H     18.27202036     11.56632152    -16.36158267
  H     16.88376532     13.15242072    -17.37330895
  O     16.34612367     13.95805757    -17.32407836
  H     13.83823958     11.66435115    -13.65058720
  H     16.46492691     14.41755428    -18.15222557
          69
 Energy    -248.42359506549383     
  O     -1.28820081      4.27304115      2.63723971
  H     -0.60861491      4.50583172      1.98285318
  H      1.32298909      0.07581800      1.23566029
  O     -3.45613828      5.73401663     -0.32629590
  H     -2.01891169      3.86887296      2.14948065
  H     -0.71169189      3.75010817     -2.33067012
  O      2.31828324      7.05474902      1.25807541
  H     -3.32126318      4.92449124      0.18763310
  H      0.51773330      3.06057457     -2.93710312
  O     -1.00493009      5.21930110     -1.48470912
  H     -4.05074787      5.48418148     -1.04562588
  H      0.38817695      6.07613453     -2.29455517
  O      2.52121694      3.07015606     -0.08367485
  H      1.85944162      7.69026680      0.69644304
  H      1.32353461      7.19011066     -1.86946773
  O      0.59449265      4.91317161      0.73774797
  H      2.01592112      7.18237939      2.17192061
  H     -3.57276043     -0.48621325     -1.77205964
  O     -1.63112014      7.69585374      0.77093714
  H     -0.46027573      5.16364443     -0.68378722
  H     -2.75831230      0.71296634     -1.23500527
  O     -1.29174432      1.50216101     -0.52994939
  H     -1.88949295      5.47350600     -1.20220055
  H      3.11357113      4.46655867      3.29482292
  O     -1.48258049      6.83390712      3.51871594
  H      2.07838604      2.24011906      0.12970557
  H      3.24634161      4.25998505      4.82011981
  O     -3.07615987      3.20610840      0.87346818
  H      2.47142412      3.22513141     -1.03577678
  H     -4.26380215      3.91062494     -2.84597021
  O      0.67623173      8.50418488     -0.47930453
  H      1.22301484      4.21905079      0.50242206
  H     -5.50170505      4.80013991     -3.09782134
  O      0.99563565      0.94029210      1.00133194
  H      1.12520655      5.69616198      0.93452089
  H     -2.19801332      2.75613512     -3.42849532
  O     -0.41493252      2.92136656     -2.74575567
  H     -2.33917820      7.14765944      0.41216292
  H     -3.36787025      1.85155336     -3.01109917
  O      1.28364076      6.41629852     -2.44017945
  H     -1.59216597      7.50027356      1.71476798
  H      1.40628710      3.00064288      3.58882289
  O     -3.57325837      0.46504802     -1.70277351
  H     -0.54162454      1.24338725      0.01842850
  H     -0.07402247      2.96422033      3.18385163
  O      2.60683217      4.33272875      4.11588788
  H     -0.93567324      1.95167539     -1.31053356
  H      2.97114392      3.87878265     -3.44000723
  O     -4.90768887      4.49982465     -2.41473573
  H     -1.49111858      5.88713633      3.29422799
  H      2.02077023      4.81736957     -2.66537213
  O     -3.15927840      2.67855571     -3.46375785
  H     -2.15343415      6.96656105      4.18379513
  H      0.39746145      6.93223968      3.81571181
  O      0.72067757      2.41750976      3.23886908
  H     -2.42680348      2.66470387      0.40546049
  H      1.65668900      6.04803122      4.03163238
  O      2.28507422      3.88659876     -2.77739444
  H     -3.94645093      2.90849278      0.57329224
  H      3.56245110      4.13176446      1.08178672
  O      1.36220935      6.94010051      3.80974988
  H      0.58743476      9.43598964     -0.66269232
  H      3.50437186      5.62292033      1.48591146
  O      3.86780913      4.76394405      1.74507256
  H     -0.16409215      8.22433289     -0.07493200
  H     -5.35595266      3.09814397     -1.12563038
  O     -5.33042176      2.38694323     -0.47314007
  H      0.90624776      1.44008030      1.83423328
  H     -4.89386193      1.64418404     -0.90971977
          69
 Energy    -248.42349917825663     
  O     19.76294367     11.02375946    -10.53432948
  H     20.71864129     11.05399580    -10.39476408
  H     18.66519410     11.27360249    -12.01311303
  O     18.74544350      6.92920901     -9.41336749
  H     19.33573368     11.04315099     -9.66891111
  H     22.52996034      9.86527175     -9.82414246
  O     19.76148601      4.06588531    -11.69028827
  H     19.10194678      7.46289729    -10.14582352
  H     23.25413161     11.22589572     -9.93693682
  O     20.74833974      5.59023211    -13.95686271
  H     18.21727123      6.23059124     -9.82062062
  H     19.15182124      7.99102152    -13.16479660
  O     22.36637814      8.38176894     -8.92063681
  H     18.86946538      4.37362202    -11.46423729
  H     19.33448241      8.61026129    -14.55087135
  O     17.30002822      5.18227470    -11.01840509
  H     19.71355667      3.11391624    -11.74841439
  H     21.01405509      5.06551438    -10.56168788
  O     22.17974886      7.23309822    -12.28386945
  H     20.09043214      6.26898956    -14.16231356
  H     20.58583789      6.14441880     -9.58565663
  O     20.03205154      8.56699126     -7.45591001
  H     20.35587573      5.02171699    -13.28367490
  H     14.88872160      6.38414136    -12.93363023
  O     14.32538726      7.57897812     -9.23136525
  H     21.62173000      8.48922828     -8.30829806
  H     13.63770673      7.07155033    -12.37178322
  O     19.71690828      8.37284524    -11.47238798
  H     22.35816045      7.45737447     -9.17908846
  H     16.39471514      9.35847918    -10.87551772
  O     18.34457668     10.81425991     -8.10486177
  H     17.13155125      5.81329535    -11.73538189
  H     16.76617167     10.09953165    -12.20290053
  O     18.09979252     11.11855548    -12.78244597
  H     16.43453516      4.93929044    -10.66816635
  H     16.45964934      7.86878857    -12.57066520
  O     22.52854600     10.71959789    -10.29232691
  H     22.12327220      6.73005825    -11.46300295
  H     17.38853178      7.18973589    -13.59508836
  O     19.01715245      7.81417335    -14.10964615
  H     21.81451778      6.65672190    -12.97300176
  H     22.40199068      8.95916016    -12.89430777
  O     21.37070866      5.76326042     -9.99655292
  H     19.52833800      7.90873876     -7.95104179
  H     22.41488572     10.31187443    -12.17763417
  O     14.00199149      6.20455254    -12.59040581
  H     19.52789291      9.38564728     -7.52924711
  H     15.85241365      8.44381067     -9.02074746
  O     16.13341740      9.48888012    -11.79631820
  H     14.40019398      6.64538933     -9.46186152
  H     17.37484776      8.15706068     -9.15996956
  O     16.65612951      7.01825147    -12.98936358
  H     13.87702615      8.00103113     -9.97531422
  H     12.87716862      9.56817655    -11.88508382
  O     22.25385739      9.90506794    -13.03627294
  H     20.61434840      8.10084545    -11.70843457
  H     14.36994648      9.18128595    -11.78204810
  O     16.72061294      8.86532766     -9.11036762
  H     19.73807519      9.30601993    -11.22518539
  H     20.89880877     10.22272776    -14.11793680
  O     13.46340618      8.85032597    -11.66057454
  H     17.91249551     11.43290317     -7.52151770
  H     20.42056170     10.81325895    -15.46244789
  O     20.12067289     10.33839282    -14.69193335
  H     17.66257215     10.19138699     -8.41061768
  H     14.31302958      5.28400849    -11.13579348
  O     14.60066431      4.89838706    -10.28779020
  H     18.70309439     10.91023795    -13.50510294
  H     14.00536108      4.17885536    -10.09515487
          69
 Energy    -248.42327892668328     
  O     13.06508594      9.26860522    -11.01417898
  H     13.63753636      9.63211747    -10.32845470
  H     14.11091119     14.71160429     -6.70600510
  O     11.15366670      6.59400585    -12.80776955
  H     13.51069617      8.51646410    -11.42308401
  H     11.61171646     12.20788933    -11.52898294
  O     12.27753580     11.11382161    -12.83710258
  H     10.64313935      5.96368210    -13.30854822
  H     10.45714148     12.77330432    -10.65249306
  O     14.49929800     10.43522624     -8.92905540
  H     11.25274746      7.38417701    -13.36998639
  H     11.49238744      7.64270422     -8.65927793
  O     15.96489493      7.54021280    -10.48279161
  H     13.09241120     11.60305335    -13.00979797
  H     11.56802968      8.53525971     -7.40855522
  O     13.27070718     14.66917661    -11.64524576
  H     12.52388491     10.42628178    -12.19655474
  H     10.53732140     10.54346349     -6.07047609
  O      9.08623437      9.90972780     -9.20065403
  H     13.74757303     10.93910396     -8.58775456
  H     11.32305899     10.87217036     -7.36080216
  O     14.70192158     12.53656995    -12.86870579
  H     14.59738982      9.62111152     -8.42055615
  H     13.69543942      7.73437612     -7.88893385
  O     15.29385485     14.32829567     -9.64835033
  H     15.54181090      7.56669871     -9.61677930
  H     15.00893520      7.41765728     -7.13689483
  O     10.74230198      7.94647634    -10.35524903
  H     15.32724768      7.14376942    -11.09163776
  H     15.59246866     11.35712970     -9.95958051
  O     15.87402856     10.18763496    -13.93266450
  H     12.56848800     14.09231079    -11.29936438
  H     16.75394157     11.11606668    -10.94044359
  O     13.83452433     14.07205942     -7.35579247
  H     12.84546124     15.46961524    -11.94211008
  H     12.60012595      8.59209679    -14.63891796
  O     11.41247572     12.82025123    -10.80715178
  H      9.53088079      9.19419801     -9.67360934
  H     11.74398791      9.65900475    -13.93665070
  O     11.97094914      7.76507969     -7.82910057
  H      9.54404910      9.98276791     -8.35505410
  H      8.82490442     11.48726201     -9.93220662
  O     10.79812238     10.18513573     -6.91494801
  H     15.20437220     12.27736813    -12.08093606
  H      7.87577539     12.49273432    -10.60724275
  O     14.66448993      7.83071291     -7.92414596
  H     14.28083408     13.37325860    -12.63990664
  H     14.81884942      7.80629236    -15.65735455
  O     16.16171760     11.80032089    -10.60789164
  H     15.75423123     13.53548988     -9.95175521
  H     14.95217945      8.88780999    -14.55972978
  O     11.70285740      8.77975285    -14.33431722
  H     14.65217566     14.54425846    -10.33658923
  H     18.35057690      9.23061218    -11.65435808
  O      8.77520070     12.38149112    -10.31277518
  H     11.51258716      8.51283053    -10.51877914
  H     16.93434371      8.80259144    -11.20633092
  O     14.43188728      8.11373770    -14.84229042
  H     10.69279453      7.36796973    -11.12363376
  H     13.03940923      6.63368880    -12.40402259
  O     17.43868835      9.50949731    -11.64661908
  H     15.50118255     11.05398064    -13.72795269
  H     14.19532458      7.26132275    -13.21328661
  O     13.95481172      6.93219072    -12.33583716
  H     16.45793000      9.95919713    -13.19845532
  H     12.78785881     12.76189855     -7.87159673
  O     12.31516478     12.01156742     -8.26389511
  H     14.41173896     14.20460764     -8.12765787
  H     11.99005723     12.28642441     -9.13137051
          69
 Energy    -248.42317920722655     
  O     13.37793323     15.12232899    -11.51462073
  H     13.28634701     14.21713513    -11.16505377
  H     14.24202508     13.00050849    -17.11777274
  O     15.31015848     10.00873532    -17.98606857
  H     12.84159674     15.68546528    -10.96341056
  H     13.10097646     14.18911055    -15.52656918
  O     14.84356256      9.40103867    -11.72977274
  H     15.23900417     10.96806488    -17.82747552
  H     12.02618264     14.18461874    -16.63945829
  O     13.62761694      9.01521930    -15.99681519
  H     15.44433850      9.89493720    -18.92280239
  H     19.48975622     11.13885591    -11.97391377
  O     13.56253155      6.92375158    -11.22733581
  H     15.39395144     10.12374800    -11.41193985
  H     18.40046417     11.55789562    -12.97911475
  O     14.30404763      5.67828179    -13.52685158
  H     13.95838234      9.77276245    -11.86028068
  H     14.28022538     12.32931831    -10.56274948
  O     15.05990418     12.33655123    -13.77269369
  H     14.29124928      8.72929540    -15.35065232
  H     12.87311975     11.88493883    -11.02115175
  O     12.29279307     10.47869445    -12.09429096
  H     14.11658020      9.29338121    -16.78167431
  H     16.68717586      9.52178966    -16.72926597
  O     15.51379704      8.14928766    -14.14454775
  H     12.66051182      7.22236318    -11.39895902
  H     16.77040348      8.83665307    -15.34746294
  O     17.65542169     11.66997558    -14.60499136
  H     14.10412779      7.72443252    -11.21338753
  H     12.77320249      6.50201746    -14.36564765
  O     12.66315721     11.23606088    -14.70624096
  H     14.06430964      6.01767378    -12.64546103
  H     12.45604097      7.74126983    -15.22421382
  O     15.05958714     12.63684452    -17.47101011
  H     14.57743543      4.77265352    -13.41144906
  H     16.64059759     15.51346714    -13.14263938
  O     12.66276758     13.63227974    -16.19281718
  H     14.84093141     13.26256772    -13.92698603
  H     17.15603045     16.69257328    -13.99911657
  O     18.61221346     11.50598195    -12.03168408
  H     14.30097965     11.83155349    -14.08883421
  H     16.99811754     11.76115770    -11.36242789
  O     13.35321026     12.59825831    -10.57940200
  H     12.30795258     10.78254149    -13.01427072
  H     15.66888419     12.07440657    -12.11421560
  O     17.28251415      9.34573315    -15.99068155
  H     11.76311010      9.67203879    -12.07038647
  H     14.87753306     15.41932132    -14.28893978
  O     12.06246941      7.10847222    -14.60987405
  H     15.37051395      8.61894444    -13.31159777
  H     13.70324531     15.07573971    -13.32464570
  O     16.66070771     15.87887769    -14.04463089
  H     15.23814055      7.23565292    -13.99869497
  H     10.18180950      7.64005366    -12.10363344
  O     16.05458653     11.94317886    -11.23135432
  H     17.63787771     10.85286607    -15.12507263
  H     11.35363387      7.67221538    -13.11425738
  O     14.02254839     14.97249327    -14.23191614
  H     16.73562759     11.88084264    -14.38919964
  H     16.35010546     13.92385988    -11.31476132
  O     11.07082489      7.96118276    -12.22775717
  H     12.92513515     10.47505692    -15.24472568
  H     15.30088930     15.04214853    -11.41058395
  O     16.23610272     14.84935603    -11.55513568
  H     12.52883244     11.99346915    -15.28813301
  H     17.04814839     14.64622360    -15.48674005
  O     17.12015514     13.94881510    -16.14688508
  H     15.78385008     13.14148612    -17.07239669
  H     17.50887379     13.19309952    -15.68468337
          69
 Ord_Energy   -248.423035    
 O    4.02509356       1.91490245       9.03625202    
 H    4.56997919       2.57873344       8.59261894    
 H    3.40572262       1.59961522       8.36873055    
 O    4.39444256      -1.87901402       8.65849113    
 H    3.44818068      -1.99004912       8.81081390    
 H    4.71801186      -1.34813201       9.40152740    
 O    6.98554516       1.58452868       7.24195337    
 H    6.28216505      0.968138337       6.99299383    
 H    7.22765255       1.38521218       8.15796947    
 O    5.01492691     -0.287162423       6.43887138    
 H    4.77042341     -0.844349623       7.19240093    
 H    5.58272982     -0.825169504       5.87348413    
 O   0.341318488       2.27168870       9.83939552    
 H  -0.489262462       2.47483206       10.2640772    
 H   0.781996429       1.61076653       10.4022474    
 O    7.64172697      0.799423516       9.84541416    
 H    6.81990910      0.412368268       10.1813049    
 H    8.21514797       5.91972806E-02   9.61050224    
 O    3.40555382       5.67073631       10.7564087    
 H    2.81461096       5.31545496       10.0676317    
 H    3.00948405       6.47955704       11.0684805    
 O    6.90275860       3.29299903       11.0940104    
 H    7.26694775       2.48018193       10.7234497    
 H    5.99843025       3.09611678       11.3646612    
 O    4.01590729       3.06672835       11.5647783    
 H    3.88366747       2.69515228       10.6795940    
 H    3.80751371       4.00525999       11.4858170    
 O   0.527514875      0.149558604       7.91040325    
 H    1.22249484      0.483663619       7.32350636    
 H   0.307772219      0.888836801       8.48921871    
 O    1.65973902      -1.86220276       9.31660175    
 H    1.21361184      -1.19466770       8.76406193    
 H    1.06051457      -2.60089016       9.38889503    
 O    1.50618792      0.270962328       11.2703314    
 H    2.23240137      0.322582722       11.9015102    
 H    1.64966011     -0.516872704       10.7328215    
 O    6.91008949      -2.91703248       7.88638306    
 H    6.01564217      -2.72402811       8.19579029    
 H    6.90636492      -2.73493695       6.93844557    
 O    8.88373756     -0.265184075       6.26105976    
 H    9.11555195     -0.656874061       7.11235237    
 H    8.36838722      0.524013996       6.47697735    
 O    5.13149261      -7.37290829E-02   10.5812912    
 H    4.76056480       4.94121984E-02   11.4622002    
 H    4.73413229      0.606572092       10.0125599    
 O    9.00509644      -1.47384501       8.86934566    
 H    9.66174126      -2.05472183       9.24439621    
 H    8.26326084      -2.03622437       8.58300495    
 O    1.81324756       4.52138662       8.88525581    
 H    1.32226419       3.73887873       9.16743565    
 H    2.11150670       4.35564137       7.98416471    
 O    5.39143515       3.81260848       7.43720245    
 H    5.68991899       4.44338417       8.11042690    
 H    6.08951998       3.16469383       7.27467251    
 O    2.97099900       3.99789310       6.27824163    
 H    2.94803143       4.61576796       5.55255604    
 H    3.88023567       4.00731897       6.62992811    
 O    6.01600409       5.40780449       9.52797031    
 H    5.18549395       5.62620163       9.96598625    
 H    6.46289110       4.76418209       10.0989513    
 O    3.78931165      0.731879771       12.9182215    
 H    3.97677732      0.782022417       13.8514118    
 H    3.85411906       1.63812745       12.5655518    
 O    2.69188046       1.22749448       6.62765121    
 H    2.76664495       2.14747357       6.34391403    
 H    3.49856424      0.755420208       6.37899876    
 O    6.97479248      -1.88349319       5.20154762    
 H    7.19943285      -2.23526144       4.34484816    
 H    7.71920109      -1.32024348       5.48086214    
          69
 Energy    -248.42289145785998     
  O     -1.68103094      3.94034231     -2.73569610
  H     -0.81245903      3.85171632     -3.14997490
  H     -0.35544235      5.75065822     -0.95726689
  O      3.09779597      2.21529001      4.38078270
  H     -1.66767033      4.78013009     -2.25975158
  H     -1.14489169      0.64690144      3.32672727
  O     -1.29936323      2.39194531     -0.33328494
  H      2.33893411      2.69621870      4.02452010
  H     -0.03449669      0.01028439      2.41468043
  O      0.68276270      0.98551846     -3.34939619
  H      2.74374757      1.38572126      4.72696508
  H     -2.94080598      2.66353597     -3.00736019
  O      0.58739236     -0.73907510      0.87004492
  H     -1.66052165      1.49678449     -0.38206705
  H     -4.07886385      2.12496068     -2.13089386
  O      0.81813575      3.04716527      2.90223932
  H     -1.52781665      2.86024080     -1.14502825
  H     -1.87052822     -0.49796992     -1.31029391
  O      0.95802945      3.65345022     -3.62807257
  H     -0.16300431      0.52333058     -3.34535073
  H     -1.09980027     -0.68707499      0.04068276
  O     -3.44051494      4.96958568      0.33799610
  H      0.99194866      0.99751762     -2.43109477
  H     -2.22207635      2.90015283      2.64403780
  O      4.48088861      1.57476599      2.12075651
  H      0.85424568     -0.01725887      0.28032579
  H     -1.60029355      3.19193189      1.25446922
  O      1.85815087     -0.29229178      4.90922371
  H      1.40142563     -1.00171383      1.32354233
  H     -3.49470519      1.22458314      4.12059602
  O      1.20842196      4.94391452     -1.04219671
  H     -0.00930792      3.50478666      2.70963491
  H     -3.35574387      1.03168052      2.59033732
  O     -1.23885693      6.14697449     -1.06521487
  H      0.56089877      2.12067327      3.00928348
  H     -2.53154592      0.48655830     -3.10667946
  O     -0.20477675      0.43840402      3.26577188
  H      1.43327041      3.88464704     -4.42140109
  H     -2.24850931     -0.86759293     -3.80270022
  O     -3.51599585      1.89498451     -2.87934709
  H      0.90832817      2.68089320     -3.60419707
  H     -3.42079875      0.17111709      0.55538267
  O     -1.92132330     -0.36675759     -0.35448373
  H     -2.77159161      5.47001374     -0.14357199
  H     -4.39111903      1.38233692      0.51762585
  O     -1.80297064      3.59135543      2.11692839
  H     -2.97309714      4.61448415      1.10715167
  H     -4.39433003      3.61337173     -0.27799031
  O     -2.87503884      1.28709014      3.39903615
  H      4.08101984      1.82914107      2.97196075
  H     -5.81743875      3.11595066     -0.60541961
  O     -1.90738324     -0.26104901     -3.15065931
  H      5.42645004      1.60117351      2.24345083
  H      3.40682071      2.78807098      1.13684466
  O     -4.06638589      0.66705325      1.07830194
  H      1.05163630     -0.07356385      4.41071586
  H      1.99681812      3.27882653      1.52532168
  O     -4.90521699      2.83808733     -0.56864771
  H      1.59133705     -0.84957271      5.63543853
  H      0.38118773      1.84958601     -0.57264867
  O      2.64846099      3.28579497      0.80753722
  H      1.26683267      4.47856551     -1.88583005
  H      1.87687974      2.00661650     -0.23768343
  O      1.24661413      1.42550321     -0.67942036
  H      1.78250489      4.47399989     -0.42615670
  H      2.70963884     -0.83230828      3.23601536
  O      2.94696793     -0.90976491      2.30409613
  H     -1.10063944      7.08150852     -1.19567339
  H      3.50701070     -0.14669401      2.11834461
          69
 Energy    -248.42231849331944     
  O     -2.88739663     -0.82016172      1.75849719
  H     -2.45902004     -0.05255954      2.16550475
  H      3.35761621      2.10516886      6.36195609
  O     -1.77910082      3.24505948      0.70641691
  H     -2.53991306     -1.60876296      2.19120474
  H      3.16117331     -3.45649633      1.41075489
  O     -1.31089145      1.51755308      5.42290836
  H     -1.31723510      2.71080509      0.04273116
  H      3.04069195     -1.92561220      1.25950369
  O      3.87082180     -0.43529009      0.89025392
  H     -2.68904997      3.32907912      0.39685115
  H     -1.75428386      2.09988025      2.09266429
  O     -1.54871287     -0.98911732     -0.70015580
  H     -2.14729194      1.61036108      5.87141938
  H     -0.63283808      1.13989980      2.55602737
  O     -3.71259717     -0.57832002     -2.45401175
  H     -1.50525794      1.47232972      4.47086036
  H     -0.45450394     -2.40197118     -0.10092899
  O     -4.78509160      0.36832984      0.04327499
  H      3.94474158      0.15367063      1.65368868
  H      0.82054736     -2.93297741      0.62587284
  O     -2.94441840      2.02012766     -2.66129262
  H      3.37767149      0.07956340      0.23956060
  H      0.02767682     -2.32744169      3.43170906
  O     -0.58846799      1.58361119     -1.19874905
  H     -2.00445188     -0.91080717      0.15053756
  H      1.51399125     -2.28458430      2.98365465
  O      0.97238834      0.53059406      2.22384904
  H     -2.23897636     -1.00714060     -1.37572517
  H     -0.28133662      4.08029356      1.58229927
  O     -1.53018509     -3.11020125      2.72692308
  H     -4.06480881     -0.93984687     -3.26232140
  H      0.50261398      4.09330339      2.93137965
  O      2.88044961      2.00467787      5.54297603
  H     -3.46592267      0.34573892     -2.64102123
  H      3.41638112      1.77706134      3.80400032
  O      2.54723275     -2.73098941      1.49260219
  H     -4.56248795     -0.05368840     -0.79582517
  H      3.44019865      2.37362703      2.35464772
  O     -1.55665495      1.38990933      2.71715660
  H     -4.26157422     -0.08667965      0.71599387
  H      0.21779882      0.42641100      5.69252833
  O     -0.10576005     -3.12470790      0.43829229
  H     -3.45918328      2.50441686     -2.00422739
  H      1.04526615     -0.73116643      5.08179551
  O      0.87573175     -1.89663556      3.59821623
  H     -2.04306149      1.98343306     -2.31068505
  H     -0.08825233      2.96940713      5.00609156
  O      0.56088591      4.31031358      1.98891888
  H     -0.87234641      0.67529938     -1.02124631
  H      1.43085584      3.15963546      4.97926271
  O      3.50399025      1.55644296      2.86801211
  H      0.36709224      1.59844186     -1.06181004
  H      2.38822017      2.21632890      0.04853239
  O      1.07971330     -0.00914690      5.72151941
  H      0.90878082     -0.33429790      2.64845338
  H      1.54666091      1.01404687      0.52536647
  O      0.60504438      3.54477558      4.66368385
  H      1.79611703      0.92852464      2.53735288
  H     -5.19328038      3.50741713     -0.31356051
  O      1.99119703      1.38805650     -0.25199184
  H     -1.05555673     -3.21098180      1.88016365
  H     -4.57204954      2.09828930     -0.16287802
  O     -4.37010677      3.02943646     -0.36552281
  H     -1.88983317     -3.96507480      2.94814754
  H      2.10891839      3.95791723      1.39596072
  O      2.99123865      3.67575294      1.08796861
  H      2.28462145      1.24128070      5.65541773
  H      3.45077668      4.46147543      0.80690353
          69
 Energy    -248.42226353303803     
  O     -3.71416724      2.78523121     -3.16411896
  H     -4.18208826      3.05329206     -2.36257886
  H     -1.28469146      1.11193155      2.96369164
  O     -3.75932934     -1.66527142      1.27055968
  H     -2.77763639      2.71136402     -2.94071011
  H     -1.50894258      2.33281763      1.06659187
  O     -1.23876841     -0.43655005     -2.11262965
  H     -3.88398941     -0.75169481      0.96360529
  H     -2.53883447      3.46239640      0.69316723
  O     -5.17089190      0.75071112     -4.12454735
  H     -4.32509027     -2.20536376      0.70650038
  H      0.72945713     -1.45426462      0.53541318
  O     -5.44444167     -2.62368418     -0.74859799
  H     -0.35343549     -0.74147952     -2.34613296
  H      1.89155470     -0.45642947      0.64137376
  O     -3.94487603     -0.92091946     -2.28522158
  H     -1.22796742      0.52929591     -2.18587622
  H      2.42962087      1.89724133      1.68709335
  O     -1.09615492      2.33946263     -2.20517863
  H     -4.63265216      1.52342826     -3.86887225
  H      0.97450989      1.39498443      1.57404877
  O     -1.12168650     -1.12787476      0.62976622
  H     -5.35187770      0.83584264     -5.05610544
  H     -6.61168736      2.07024064     -1.59669812
  O      1.49265962     -1.05692156     -2.39376561
  H     -5.72285022     -3.39575305     -1.23362342
  H     -6.54272246      1.05220618     -2.74306701
  O     -6.60990542      0.73189364      2.65928135
  H     -4.92662101     -2.07557829     -1.36398794
  H     -2.40059388      1.13809842      5.23002364
  O     -4.46495460     -0.75372840      3.78562698
  H     -4.34674586     -0.40968005     -3.00056130
  H     -3.20984488      0.36556722      4.16292123
  O     -0.71110539      1.12885414      2.18731902
  H     -2.98259796     -0.85831418     -2.36211459
  H     -6.63920126     -1.23517726     -0.04338191
  O     -1.97040761      2.76778510      0.33784553
  H     -1.37784883      2.59324763     -1.31281282
  H     -7.15182322      0.13931983     -0.51921721
  O      1.66122671     -1.33161576      0.30538398
  H     -0.13025932      2.28419608     -2.17467203
  H     -3.92298800      0.32008454     -0.84559212
  O      1.83208632      1.41585900      1.11961296
  H     -1.97740667     -1.48594276      0.89966375
  H     -3.18991837      1.38871264      0.04811342
  O     -7.03417650      1.27358112     -1.94450912
  H     -1.20156348     -0.88111133     -0.30202419
  H     -4.20861773      3.94975745      1.97114202
  O     -2.56137913      1.08205835      4.29147551
  H      1.63520216     -1.24645641     -1.44909687
  H     -3.97393100      5.44628960      1.63577430
  O     -7.08852571     -0.43850845      0.25552827
  H      2.08371291     -1.62278635     -2.88244100
  H     -4.93134296      3.77784699     -0.14833588
  O     -3.94124523      0.78268533      0.00331216
  H     -6.75114612      0.32247251      1.78764721
  H     -4.95640375      2.26727917     -0.43831809
  O     -3.91007165      4.56642776      1.27624280
  H     -7.47797123      0.86499553      3.03215054
  H     -3.91195615      2.22968348      3.51875626
  O     -5.25219551      3.12526206     -0.77979186
  H     -4.18855472     -1.25283790      3.00434029
  H     -5.30981104      2.07624389      2.87613616
  O     -4.61546066      2.71740395      3.07642798
  H     -5.27859350     -0.30627802      3.51944080
  H      1.66306786      0.86280284     -2.07327956
  O      1.56442018      1.76911680     -1.75736563
  H     -0.87180956      0.31258143      1.68862944
  H      1.69174863      1.72790231     -0.80177903
          69
 Energy    -248.42214456540029     
  O     -4.36507372     -0.24967289      2.96316575
  H     -3.54789953     -0.69488596      2.69709402
  H     -6.27670635     -4.18534794      0.67192617
  O     -0.22023276      4.10801996      1.84007730
  H     -4.08954814      0.56965030      3.39108274
  H     -3.37465475      1.44339261     -0.21708359
  O     -1.88768115     -1.23050207      2.20503999
  H     -1.18880132      4.08998264      1.81785799
  H     -2.96979532      2.29279864     -1.43723109
  O     -3.91622909     -0.34718538     -2.96486130
  H      0.02767945      5.02821868      1.79977768
  H     -5.80718114      3.90606546      0.26630130
  O     -1.77126839     -1.87881877     -1.84131610
  H     -1.45689651     -0.82518057      2.96736335
  H     -6.04173930      5.30037209      0.89397808
  O     -4.78608180      0.58195138      0.34697506
  H     -1.52059506     -0.78307928      1.42836340
  H      0.40259572      2.38976903      1.91040216
  O     -6.89505356      2.57875696      2.80852659
  H     -4.67779422     -0.74720694     -2.52084142
  H      0.28105667      0.99595042      1.22909582
  O     -7.98896562      0.50901999     -0.89931352
  H     -3.14434440     -0.83602709     -2.65724820
  H     -4.56674545      2.53980180      4.87081394
  O     -3.08568763      2.05006581      3.96625620
  H     -2.25287366     -2.32882417     -1.12322250
  H     -5.49871717      2.41435739      6.08634586
  O     -4.06737195      2.34104325     -2.99773459
  H     -1.30350936     -2.55667150     -2.32229938
  H     -2.79768129      3.11807168      0.86578568
  O     -5.96847040     -1.30018448     -1.35817036
  H     -5.12367396     -0.15180080     -0.18248766
  H     -3.84001965      4.04133739      1.53508665
  O     -5.85387106     -3.33606283      0.57902961
  H     -4.75858051      0.30885400      1.27079206
  H     -5.92654619     -1.18515694      2.81257339
  O     -2.68019651      2.03430231     -0.55532170
  H     -6.47397953      2.63225760      3.67758200
  H     -7.35919641     -0.94318602      2.29280172
  O     -5.61292481      4.46084677      1.04110689
  H     -6.48283325      3.25796620      2.26543348
  H     -0.13873512      0.32086934      4.88513555
  O      0.58700563      1.44655195      2.02597630
  H     -7.54533010      1.34880802     -1.06574353
  H     -0.18752794      0.84773973      3.42952137
  O     -5.46424197      2.73067796      5.18697093
  H     -8.20129891      0.50870312      0.04384997
  H     -7.87752579      1.28722068      2.23575686
  O     -2.96632973      3.65188698      1.65734893
  H     -2.99341594      2.61355435      3.18565204
  H     -9.29179976      0.66675407      2.29408267
  O     -6.71451995     -1.63659643      2.47817948
  H     -2.25180502      1.58131775      4.09396958
  H     -3.96877888     -3.14136935      0.43097225
  O     -0.72906733      0.48320464      4.15476982
  H     -3.92403448      2.66838609     -3.88093317
  H     -2.68082400     -2.54999703      1.07049382
  O     -8.42808641      0.55421709      1.90534342
  H     -4.02043858      1.36741563     -3.04875463
  H     -1.38161783      0.83113376     -0.25870097
  O     -3.02845012     -2.98767324      0.28321831
  H     -6.03003367     -2.07888918     -0.79268699
  H     -0.98154369     -0.58606136     -0.71968399
  O     -0.80999284      0.07972338     -0.04266761
  H     -6.78106109     -0.77974526     -1.26074752
  H     -5.70028382      1.93050069     -0.41803807
  O     -6.04261513      2.65070582     -0.97311843
  H     -6.19885540     -2.76994511      1.29332100
  H     -5.48161025      2.65766385     -1.75878576
          69
 Energy    -248.42212765750327     
  O      0.54904623      6.68617529      1.44471378
  H      1.33257061      6.20288191      1.13283440
  H      5.76162305      6.02239386      0.93884604
  O     -1.36829689      4.68646856      1.24413992
  H     -0.19571810      6.07588507      1.34867255
  H     -1.28247617      4.84579949     -0.64580877
  O      0.33375457      7.27785417     -1.42462002
  H     -1.61585133      4.78468000      2.17531224
  H     -0.27371647      4.29665945     -1.69028067
  O      2.95074403      6.65807821     -1.84221840
  H     -1.09681275      3.76420848      1.15250113
  H      4.66909746      9.45731307     -0.59592859
  O      4.79640052      5.68577012      2.47448629
  H     -0.23398750      6.52619766     -1.64713540
  H      3.81493409      8.60865384      0.37163245
  O      5.31846421      3.67172243     -1.02138822
  H      0.27940856      7.35454822     -0.46672799
  H      3.58565346      7.74049082      5.13804170
  O     -1.31844096      1.88208232     -1.57348943
  H      2.02054149      6.93125340     -1.80169427
  H      2.62397510      6.83737472      4.33011005
  O     -1.52541471      4.68073437      4.00341789
  H      3.48572749      7.37832517     -1.48666773
  H      5.00743156      2.44829580      0.13182433
  O      1.19794023      5.78610701      4.05934072
  H      4.85119548      4.79722577      2.85739778
  H      5.23961194      0.98563098      0.58741910
  O      1.21864504      3.08193701     -1.93491967
  H      4.45806952      6.28149563      3.15158053
  H      0.39813397      2.11505567      0.94992754
  O      3.45260932      4.32650265     -3.12828898
  H      5.62197231      4.54171138     -0.72193834
  H     -0.92828996      1.79204599      0.20848525
  O      5.98069136      6.16929805      0.00738013
  H      4.76458159      3.82266481     -1.79406098
  H      3.01496587      8.32929315      2.63223781
  O     -1.05889872      4.85215915     -1.58649947
  H     -0.41934234      2.04415318     -1.89287735
  H      1.84761382      8.15658574      1.65203006
  O      4.39432442      8.56341459     -0.40861369
  H     -1.77160161      2.71415201     -1.74119940
  H      3.49291752      5.47641684      1.21558038
  O      3.41786196      7.39463609      4.26521642
  H     -1.34732616      3.73661415      4.10014029
  H      2.93856571      5.69852318     -0.23490847
  O      4.73430669      1.77066644      0.77905880
  H     -0.71602111      5.12856540      4.27423972
  H      1.02083297      2.61273178      3.81500341
  O     -0.54914252      1.97089476      1.08066091
  H      0.91743025      6.13787501      3.20310388
  H      1.93349484      2.94346304      2.61573681
  O      2.70525238      8.58459763      1.75465338
  H      1.46855269      4.86800491      3.91387487
  H      4.77703850      2.56666804      2.53708389
  O      2.74881507      5.29956991      0.62315796
  H      1.94677839      3.44432377     -2.45445304
  H      3.75831840      2.98356196      3.62439618
  O      1.82383112      3.08683462      3.56451602
  H      1.59202808      2.85807517     -1.07472056
  H     -1.12565735      1.11732934      4.18633213
  O      4.67412875      3.09328553      3.33993286
  H      3.30190206      5.21264042     -2.75385975
  H     -0.77376943      1.82303259      2.85550604
  O     -0.72802861      1.90482729      3.82348979
  H      3.69849817      4.45086170     -4.04161635
  H      2.98488909      2.21475784      0.73931218
  O      2.13622820      2.67839047      0.74849487
  H      5.59538266      7.02614166     -0.20439109
  H      2.32931399      3.62887162      0.67827705
          69
 Energy    -248.42210717635976     
  O     -0.84339218     -1.25863300      3.10277113
  H     -0.43483706     -0.76792478      2.37933686
  H      0.85884911      4.14222392      3.81385148
  O     -1.23464410     -1.13363971      7.58014024
  H     -1.71423137     -0.84530228      3.24483120
  H     -0.59455184      3.16294083      5.37749209
  O     -5.28489309      1.23773166      1.12802846
  H     -1.74432435     -1.83837724      7.14083931
  H     -0.85273036      1.64046744      5.42876682
  O     -4.50611809     -1.52558399      0.78670084
  H     -0.92311272     -1.49163919      8.40683367
  H      1.53722910      3.18418989      1.89144110
  O      0.01400943      0.45207598      1.09907735
  H     -5.47967817      1.55818627      2.01511388
  H      0.08924401      3.66249909      1.67082290
  O     -2.26993411     -0.45206020     -0.35622751
  H     -5.07142540      0.29930174      1.20982278
  H     -2.47700174      0.30710853      7.42095699
  O     -1.72555952     -3.75142330      3.68293167
  H     -3.65364710     -1.21816555      0.43288966
  H     -2.51278664      1.67435698      6.71785980
  O     -2.65838603     -3.00494852      6.26994564
  H     -4.97593601     -1.91136235      0.05036164
  H      1.88040263      2.50260377      4.76650663
  O     -5.38611047     -2.53333873      5.54532714
  H      0.92742056      0.71612928      1.26331432
  H      1.57136817      1.00189937      4.92396833
  O     -1.47300998      2.83385920      1.13759827
  H     -0.51102530      1.26438095      1.15199207
  H     -3.76038131     -0.00750001      4.19149470
  O      2.50599730      1.50326661      1.87261194
  H     -2.61708405      0.41211185     -0.61252773
  H     -3.04350049      0.99927149      3.28128190
  O      0.86659764      4.15626307      4.78805862
  H     -1.41295609     -0.28088835      0.05229007
  H     -4.16515790      1.87647611     -0.04787372
  O     -1.28284425      2.50259051      5.52678461
  H     -1.32963508     -2.89882254      3.42973268
  H     -3.92334492      2.53782339     -1.42647814
  O      0.92855400      3.90739922      2.08436782
  H     -1.14131530     -4.43332603      3.36294896
  H     -4.43792444      0.51137983      6.17705114
  O     -3.06921154      1.02620073      7.16890122
  H     -2.30586375     -3.34086101      5.43653704
  H     -5.28090384     -0.69046803      5.61453682
  O      2.22240540      1.62267734      4.56790081
  H     -3.60197479     -2.86575458      6.12642552
  H     -6.48913119      2.76013242      4.10156174
  O     -3.11734152      0.05832441      3.47723803
  H     -6.10878569     -3.11149195      5.77377823
  H     -5.58736664      1.55068984      4.43917408
  O     -3.47741011      2.12565251     -0.69198891
  H     -5.12473060     -2.75522337      4.63191790
  H     -3.54110238     -3.43590444      3.20214842
  O     -5.09269875      0.24969142      5.50986923
  H     -2.01018722      2.93142086      1.93901464
  H     -4.46333741     -2.53926985      2.34518117
  O     -5.72181149      2.27737890      3.80595999
  H     -2.09584591      2.71049440      0.41183932
  H     -0.20536992     -0.46411763      4.62244862
  O     -4.45460575     -3.14276295      3.09943651
  H      2.46190626      1.48793555      2.84590858
  H     -0.28000973     -0.39390054      6.17753642
  O      0.07530699      0.04506355      5.39492547
  H      3.42239174      1.38839172      1.63706766
  H     -3.93117347      2.87149803      3.61135665
  O     -2.99250729      2.90530806      3.39347884
  H      1.18997091      5.01468841      5.04722476
  H     -2.47656693      2.82001236      4.20893920
          69
 Energy    -248.42196894563065     
  O     14.91596923     10.48143550    -16.11634531
  H     15.16711806     10.06583348    -16.95498508
  H     17.74589454      8.07246087    -16.72485324
  O     14.35464267      5.19670630    -14.20606630
  H     14.10455155     10.05965338    -15.81717914
  H     15.69230717      7.43447531    -15.85489294
  O     18.18795170      6.94866048    -11.95045649
  H     15.22663903      4.89379162    -14.48375410
  H     16.56857287      7.92957973    -14.65990322
  O     19.58836742      6.06683154    -18.19139111
  H     14.12998267      4.73404470    -13.38451310
  H     13.01270431      8.59166481    -14.20619264
  O     17.06293825      4.69995840    -17.99130916
  H     19.00944034      7.16445012    -12.40823761
  H     11.79171837      9.26343764    -14.87905044
  O     13.79708246      6.78359175    -10.29474994
  H     17.54068677      7.59559564    -12.26861173
  H     16.63812054      2.56056743    -10.19194028
  O     16.39044829      8.73063905    -13.01953351
  H     20.36299533      5.80869274    -18.68334927
  H     16.84461678      3.58956186    -11.33068204
  O     17.00994870      4.76229527    -15.25455518
  H     19.77453008      5.87843025    -17.25332397
  H     13.91969323      6.16123873    -15.68650035
  O     13.83809712      4.23286460    -11.70132206
  H     16.37892109      5.26814722    -18.36599902
  H     13.36952015      7.57413919    -16.04777098
  O     19.22954695      9.73896636    -15.06571098
  H     17.90479266      5.12622705    -18.19498626
  H     21.20031974      7.91862820    -13.42703707
  O     19.83997370      5.58275376    -15.53683721
  H     13.38859339      6.99123402     -9.45906881
  H     19.93128249      8.44732684    -14.13437035
  O     18.34074230      8.46449131    -17.38492796
  H     14.73999965      6.61625986    -10.11244554
  H     17.94681120      5.17257723    -12.39065020
  O     16.58667702      7.44415946    -15.49394074
  H     16.47735254      9.63902795    -13.33709207
  H     17.49989515      4.25940696    -13.54979812
  O     12.69239721      8.98976460    -15.03340508
  H     15.45439202      8.51137278    -12.92668671
  H     16.40282420      5.17247610     -9.97787286
  O     16.28247470      3.36113786    -10.56669952
  H     16.99467652      4.51520042    -16.19067892
  H     17.09289036      6.46328878    -10.46659595
  O     13.89836396      6.83826554    -16.37848766
  H     16.94157254      5.73074914    -15.25192125
  H     14.28837670      6.17536526    -19.50267218
  O     20.30460230      7.68464098    -13.65719277
  H     14.61522938      3.81874745    -11.30266040
  H     14.49165905      6.54128551    -18.01495909
  O     17.75746030      4.25189944    -12.62034324
  H     13.66236825      5.01537994    -11.16651230
  H     14.04824160      6.81915035    -13.36146231
  O     16.39126129      6.13457866     -9.89056134
  H     19.03733072      9.41348998    -15.95649010
  H     13.71873878      7.44729142    -11.98175369
  O     14.94812514      6.44746508    -18.86883897
  H     18.47626114     10.28394961    -14.81308684
  H     16.78342485     12.07688333    -14.17218977
  O     13.82445630      7.65190648    -12.92048744
  H     20.01538895      6.26273810    -14.87462215
  H     16.14155103     10.94948134    -15.01732934
  O     16.80971967     11.13775728    -14.33218405
  H     19.01225088      5.16087059    -15.28559955
  H     15.51907174      8.30887190    -18.70061878
  O     15.81516334      9.16984383    -18.38612954
  H     18.81862513      7.72920542    -17.78623118
  H     16.75585981      9.05836189    -18.19032637
          69
 Energy    -248.42187127531471     
  O     15.45500522     10.41208601    -16.05715252
  H     15.69286237      9.91577349    -16.85998300
  H     18.82664837      7.99681631    -16.29635299
  O     12.95436637      3.98127759    -15.86815130
  H     15.19823329     11.28525428    -16.34396046
  H     15.22216557      6.56923736    -15.95726428
  O     17.87717547      5.53104305    -12.31818913
  H     12.20663302      3.58089533    -16.30248350
  H     16.15844883      5.40368657    -15.62239534
  O     16.76870513      4.41587963    -18.20223313
  H     13.06875174      4.86961641    -16.25348326
  H     13.44505437      8.37067502    -14.25693899
  O     14.14726421      6.83900067     -9.82420550
  H     18.59740251      5.50252685    -12.96286875
  H     14.10953891      9.25264257    -15.35666294
  O     13.51746777      4.79537097    -13.24235217
  H     17.36412878      6.32701757    -12.52496222
  H     14.40551792      3.20763434    -10.36394380
  O     16.31298987      7.61476495    -13.17139640
  H     17.70381157      4.54671068    -18.00562068
  H     15.16398071      1.96322693     -9.84117311
  O     13.02065931      4.28443852    -10.52637549
  H     16.41445188      3.95589142    -17.42911456
  H     13.93406002      6.57563098    -17.66784002
  O     19.81595529      8.59518448    -14.88569487
  H     14.12395840      7.33316381     -9.00900977
  H     13.35132226      7.27458045    -16.36072058
  O     15.75602304      3.55425076    -15.72684810
  H     15.00254172      6.37314712     -9.84171676
  H     19.80318455      6.69178381    -14.50748285
  O     19.40556799      5.10122541    -17.29844258
  H     13.18199782      4.49122694    -14.09312261
  H     19.62081419      5.37284934    -15.28225303
  O     18.26467904      7.55480793    -16.94624422
  H     14.41091232      4.43422940    -13.15334493
  H     16.72386331      4.21927137    -12.76356570
  O     16.10056408      6.36729512    -15.61502254
  H     16.26968644      7.19419632    -14.04415551
  H     15.83066556      3.11902017    -12.13519344
  O     13.43681890      8.57927589    -15.19878636
  H     15.40442014      7.65222094    -12.84867259
  H     16.14642703      4.42131651     -9.93662280
  O     15.26341969      2.74658827    -10.37479278
  H     12.99309122      4.40748385    -11.48567675
  H     17.07394414      5.43744687    -10.62323135
  O     13.47978906      6.43397125    -16.82856380
  H     13.24707041      5.15135659    -10.16737654
  H     15.73107334      5.73020124    -18.80012686
  O     19.68727642      5.73961928    -14.39491688
  H     19.04825741      9.11352514    -14.58156555
  H     14.91350500      6.22766636    -20.01115326
  O     16.03774933      3.56579163    -12.96491256
  H     20.58516958      9.14201274    -14.75303158
  H     13.51832755      6.57132654    -12.84526469
  O     16.42985572      5.34307567     -9.90905336
  H     15.94855647      3.38089154    -14.79490867
  H     13.69770627      7.41689352    -11.56951157
  O     15.12849278      6.43167854    -19.10447661
  H     14.79323105      3.56190763    -15.81114053
  H     16.88516520     10.14812793    -14.82616278
  O     13.62546621      7.48210615    -12.53034536
  H     19.07562241      6.01649328    -17.29353946
  H     17.12202592      9.14735862    -13.68424252
  O     17.54725576      9.85688602    -14.18841492
  H     20.21352245      5.10420183    -17.80680468
  H     15.77803693      8.16667413    -18.61899665
  O     16.21529473      8.92042440    -18.20724224
  H     17.51702300      7.16339545    -16.46671737
  H     17.05604508      8.56596523    -17.88382276
          69
 Ord_Energy   -248.421677    
 O   -1.52331901      -1.32340109       5.65206718    
 H   -1.58920693     -0.452728897       6.06313896    
 H  -0.770485759      -1.75262785       6.07494688    
 O    2.94949269       2.12761092       1.58124089    
 H    3.89120007       2.20859551       1.38471770    
 H    2.76276398       1.18146050       1.67002952    
 O   0.691848755       1.33010471       4.39333153    
 H    1.43037260       1.94975984       4.44197750    
 H    6.02999888E-02   1.72671580       3.78105283    
 O    1.85883641      -1.14747047       4.36387205    
 H    1.49050796      -1.71032226       5.05430269    
 H    1.35706985     -0.316439688       4.38300991    
 O   -1.39900839       1.48070252       6.25345993    
 H   -2.12162304       1.67265832       5.64082336    
 H  -0.612745464       1.35099387       5.69980812    
 O    4.21323252     -0.443970263       5.65376949    
 H    4.99199486     -0.731741726       5.16270018    
 H    3.43695712     -0.704173028       5.13697863    
 O   -1.00850892       3.17053127       2.96686959    
 H  -0.598689556       3.00747252       2.10355711    
 H  -0.522265255       3.87283063       3.41458726    
 O    2.68620872       3.27362275       4.07417202    
 H    2.03399920       3.98328996       4.11858177    
 H    2.76282883       2.97007394       3.15779448    
 O   0.511062920       4.98502493       4.51911974    
 H   0.424309880       5.92682266       4.63680267    
 H   0.387087852       4.57563543       5.39596987    
 O   0.280209363       2.39268422      0.714311421    
 H    1.23199713       2.42290711      0.878213584    
 H    5.21456786E-02   1.45673573      0.642132282    
 O    4.41512823       2.30900192       5.93983746    
 H    3.84557104       2.70933056       5.26308346    
 H    4.35358191       1.34695756       5.83587027    
 O    5.20000505     -0.721808970       1.58684504    
 H    4.23890495     -0.803505242       1.52612734    
 H    5.41025209      0.185154662       1.33251238    
 O    5.72844315       2.09480119       1.32414162    
 H    6.38879061       2.57050943      0.827904820    
 H    6.01244402       2.10633206       2.25574994    
 O    2.57601309       2.51403737       8.00157452    
 H    3.27965665       2.51241231       7.33205414    
 H    2.96783304       2.85211635       8.80421257    
 O   -1.85735452     -0.414050311       3.04506373    
 H   -1.70213377     -0.875536084       3.88184333    
 H   -2.43393946      0.323349267       3.27184439    
 O  -0.282735586     -0.407585621      0.844527185    
 H  -0.840417027     -0.438628882       1.64308524    
 H  -0.733925462     -0.921175957      0.179537937    
 O   -3.15602708       1.95703828       4.05396080    
 H   -3.98604417       2.38329458       3.85922337    
 H   -2.45974469       2.47675920       3.61271167    
 O    2.43180847     -0.386203110       7.82497740    
 H    2.32386923      0.557778835       7.98045444    
 H    3.17344403     -0.463550061       7.20801449    
 O    6.40102291     -0.980612278       4.00042152    
 H    7.09748650      -1.63048851       3.96896839    
 H    5.97906923     -0.974811256       3.12208891    
 O   0.891795397      -2.34289455       6.73070192    
 H    1.04004633      -3.15486217       7.20777988    
 H    1.36872399      -1.64403999       7.21256828    
 O   0.226550817       3.69970202       6.87938738    
 H    1.00262845       3.31363058       7.30352211    
 H  -0.433540374       2.99567294       6.82812452    
 O    2.38478541     -0.619568288       1.72120869    
 H    2.25233603     -0.919521451       2.63256693    
 H    1.50961232     -0.626159251       1.31367850    
 O    6.45936394       1.89038444       3.93762732    
 H    5.90163088       2.17758656       4.66975927    
 H    6.57321835      0.937492013       4.04643679    
          69
 Energy    -248.42130642037131     
  O     15.16078994      4.90830608     -9.67028176
  H     15.53023817      4.07080438     -9.36565301
  H     16.87812481      5.97164411    -16.07169785
  O     12.86225795      4.23355768    -11.18961300
  H     14.41423934      4.66983081    -10.23932620
  H     14.64844924      9.02192573    -10.42186245
  O     18.42927047      6.25948586    -14.97159918
  H     12.96371282      4.32503066    -12.14846646
  H     16.00098172      9.58806771    -10.87414506
  O     11.57533459      8.19865975    -12.73644004
  H     12.24266146      4.92356839    -10.92411263
  H     14.98510638      7.54339557    -13.34065192
  O     13.97347118      1.66236408    -11.00639790
  H     18.06079213      5.80852280    -14.19437519
  H     14.60709649      7.04089973    -11.90989676
  O     16.18512406      2.32498606     -9.28247526
  H     19.28835890      5.87491200    -15.13042812
  H     14.44979304      6.58636385     -9.75227616
  O     17.80004642      8.77086015    -13.73653363
  H     12.12861786      8.98572193    -12.76912169
  H     13.06992604      7.16010511    -10.17671975
  O     17.74737405      8.85479441    -11.02650040
  H     11.63214151      7.78035878    -13.60842354
  H     14.79416409      1.25920650    -12.49264485
  O     13.33096681      4.77843729    -13.85193778
  H     13.44882329      2.47428219    -11.02221016
  H     15.23870695      0.17252337    -13.50052242
  O     15.12413798      8.97750858    -14.46888021
  H     14.62257558      1.77904630    -10.30205966
  H     10.53549847      6.72007796    -10.18208775
  O     14.16913344      7.67075113    -16.74729739
  H     16.72162464      1.88975659     -8.62572862
  H     11.38233325      7.15004284    -11.40515200
  O     16.01667253      5.71022070    -16.41859348
  H     16.70577297      2.34334041    -10.10529269
  H     16.29122823      5.63818942    -12.88865279
  O     15.06340787      9.80440453    -10.81400602
  H     18.11009357      8.00469560    -14.23129910
  H     17.50539047      5.35875029    -12.00780142
  O     14.90701984      6.75962021    -12.78189100
  H     16.90503612      8.95115637    -14.05800189
  H     15.53476482      2.57230072    -14.35446616
  O     14.01070054      7.36908893    -10.11128532
  H     18.48604646      9.37634174    -10.72144878
  H     16.20444687      3.93805418    -14.09288030
  O     15.36273026      1.08795267    -13.26513527
  H     17.80821313      8.82975565    -11.99823421
  H     17.35363788      3.30449558    -12.09763571
  O     11.37038458      6.57365563    -10.61753108
  H     13.99961429      4.22067517    -14.26580157
  H     16.81802292      1.87508010    -12.30702469
  O     17.09081066      5.09072776    -12.84334946
  H     13.80891231      5.55206390    -13.51003065
  H     12.26315620      6.01533081    -14.78667700
  O     15.65359023      3.45701287    -14.72452955
  H     14.48286626      9.56153453    -14.04322203
  H     12.61174129      7.15728632    -15.75161489
  O     17.38142746      2.41216129    -11.73486979
  H     14.74431066      8.64630596    -15.29263697
  H     16.84539147      5.76751633    -10.06654366
  O     11.93942413      6.85988965    -15.12798076
  H     14.11379907      7.89366327    -17.67276028
  H     17.66393038      7.01516182    -10.51389466
  O     17.69879986      6.05435676    -10.41709697
  H     14.81077782      6.94172507    -16.67279408
  H     13.99891776     10.28173325    -12.08709079
  O     13.39832333     10.43462470    -12.84005297
  H     15.82909410      4.84796281    -16.02783969
  H     13.11645199     11.34378724    -12.78836953
          69
 Energy    -248.42119488518028     
  O     11.59355515      6.46281291    -12.82368342
  H     11.86302443      6.78231809    -11.95047340
  H     14.80319746      6.17700239    -15.29768009
  O     17.77741659      9.52714852    -14.48370741
  H     12.19909650      5.74268452    -13.03342893
  H     16.59786658      5.57467183    -13.77112274
  O     17.08249616      8.27677960    -12.09186759
  H     17.08596045      9.43299414    -15.15281572
  H     18.05671805      6.03035197    -13.62356499
  O     17.15342281     12.06408994    -13.44467071
  H     17.70999622     10.43542810    -14.16090316
  H     13.87543530      8.03074145    -11.94142807
  O     12.79420406      7.47263785    -10.53205768
  H     17.39186200      8.76586256    -12.86613061
  H     15.31418599      8.40068804    -12.42486533
  O     15.68070346      9.42825795    -16.37548291
  H     17.18214577      7.34063523    -12.31071752
  H     14.12846785      9.77257200     -9.50724912
  O     14.86334782     11.73127161    -15.15776176
  H     17.68538202     12.85139103    -13.36335413
  H     13.06190859     10.76681932    -10.01274096
  O     17.43201906      5.76870238    -17.04254789
  H     16.74955972     11.90969166    -12.57198542
  H     14.17991026      4.64384985    -14.01824672
  O     11.21253609      8.47066684    -14.61556360
  H     12.72789642      8.36623736    -10.16088912
  H     13.30429314      3.48647959    -13.49654436
  O     15.45225974      4.90085911    -11.18669525
  H     13.43275868      7.00860198     -9.97753226
  H     13.48649885      9.87748899    -13.13596392
  O     13.85338550      7.67860147    -15.24214813
  H     15.01648175      8.80092138    -16.05982763
  H     12.16779235     10.02037938    -13.90437714
  O     15.35330267      5.38825119    -15.17425692
  H     15.39050553     10.30626735    -16.08745812
  H     15.21816902      5.87725938     -9.78115331
  O     17.30166982      5.69274073    -13.11929988
  H     15.59148265     11.94730929    -14.56180220
  H     15.04339261      5.97533958     -8.24674617
  O     14.38271991      8.40232340    -12.67375634
  H     14.13385080     11.42440845    -14.60464697
  H     18.56486364      6.60329906    -15.67537998
  O     13.17956088      9.95744333     -9.50264471
  H     17.27625648      6.56676569    -17.57685898
  H     18.73994278      7.87224370    -14.81158092
  O     13.56267056      4.38763637    -13.31394180
  H     17.87295933      5.14025123    -17.60915939
  H     15.66211557      8.26887763     -9.32986780
  O     12.86248418     10.53630509    -13.48041307
  H     11.28380074      7.75529893    -13.95647440
  H     16.47003535      8.86701781    -10.48019487
  O     14.99310751      6.48330434     -9.05207129
  H     10.33823266      8.40976364    -14.99018677
  H     17.30124285      8.68689080    -19.04595305
  O     18.99817051      6.94429933    -14.88385067
  H     14.73455942      4.69266475    -11.79552900
  H     16.51509394      8.65097393    -17.72323783
  O     15.93479998      9.11324452     -9.71068147
  H     16.22397464      5.07254823    -11.74296309
  H     14.97929362     11.90006570    -11.09395196
  O     16.98717378      8.09623483    -18.36674319
  H     12.91654285      7.89387577    -15.30148200
  H     15.97491711     10.86640861    -10.51646019
  O     15.90887215     11.64018587    -11.08782803
  H     14.09607597      7.86948865    -14.32046026
  H     12.92700074     11.65878494    -12.09841176
  O     13.11460911     12.17395110    -11.29590971
  H     16.03269428      5.41424427    -15.85954191
  H     12.60597306     12.97820458    -11.35707462
          69
 Energy    -248.42116817326615     
  O     11.86350104      9.18942131    -15.58826538
  H     12.48651791      8.57288984    -15.99843845
  H     18.76148726     10.37628593    -14.42150150
  O     16.64027546      6.97774795    -12.75132318
  H     12.24524874     10.06708373    -15.70192349
  H     16.23232436     10.67067587    -16.84204203
  O     16.07016421     11.25032700    -11.32977215
  H     15.89493923      6.85807907    -12.14709907
  H     15.38561984      9.96500181    -17.89514780
  O     14.16791661      4.91832602    -15.42781515
  H     17.18576063      7.68648967    -12.38123199
  H     14.83650368      8.28936588    -15.14010716
  O     14.46189403     10.13127979     -9.38603356
  H     15.44478757     11.26359821    -12.06781144
  H     15.76316701      8.07014917    -13.89733154
  O     14.41586948      6.95750135    -11.09183730
  H     15.57168203     10.96908577    -10.54957090
  H     10.11833351      7.90215287    -13.30999928
  O     14.21747769     10.92005548    -13.37077192
  H     13.73392854      5.19554501    -14.59948125
  H     11.31357497      8.43600997    -14.13501043
  O     17.92835538      7.30856322    -17.16166508
  H     13.83873152      4.04706479    -15.63039978
  H     19.02240871      8.06823167     -8.85633563
  O     15.51502920      7.55891338     -8.57371152
  H     13.76230437      9.86990105     -9.99992166
  H     18.14279931      8.45153071    -10.05692786
  O     17.56547807      9.81125235    -15.78393319
  H     14.79781153      9.31138069     -9.00590617
  H     12.25685300      6.47974809    -13.27242653
  O     16.89676546      5.74005341    -15.22702191
  H     14.75483472      7.03274776    -10.19171865
  H     13.45672872      6.04472218    -12.40959111
  O     19.26660899     10.52723910    -13.61265516
  H     13.92348218      7.77303053    -11.26740390
  H     18.37327498     13.53466208    -11.81713318
  O     15.42175755     10.76477711    -17.36017316
  H     13.83955982     11.37418999    -14.13064700
  H     17.41521713     12.34191900    -11.93273172
  O     15.37085060      8.73804141    -14.47395227
  H     14.64478598     10.12713499    -13.73561038
  H     18.52617051      9.54878516    -12.32399991
  O     11.06952799      7.96572436    -13.31718435
  H     18.79655175      6.97852743    -17.37718623
  H     17.24379572      9.84846352    -11.51357211
  O     18.12456274      8.04287915     -9.17596707
  H     17.57553940      6.72977535    -16.46067336
  H     16.49174638      7.82548298    -18.13079870
  O     12.95286742      5.81517478    -13.20100677
  H     16.46320821      7.70299226     -8.73833834
  H     15.74215481      7.89288219    -19.48102684
  O     18.15473363     12.79021958    -12.37224823
  H     15.44123952      7.17710214     -7.70306763
  H     12.15573288      8.83822936    -12.07114983
  O     17.92034079      9.17480902    -11.66759035
  H     16.81295363      9.49903636    -15.25779590
  H     13.27644719      9.89379190    -12.18548245
  O     15.66517243      8.10876630    -18.55488097
  H     17.86718328      9.03702129    -16.27233547
  H     14.03355491     11.37661352    -16.45738903
  O     12.87945933      9.24894661    -11.58271226
  H     16.93950981      6.07531912    -14.32025353
  H     12.97526334     12.49165102    -16.31569832
  O     13.27134196     11.67183473    -15.92896502
  H     16.01651931      5.35774815    -15.32185010
  H     13.93269655      6.54980301    -16.24851991
  O     13.86093287      7.47972087    -16.50025483
  H     18.98665927     11.39028265    -13.27375547
  H     14.41468556      7.62559388    -17.27705706
          69
 Energy    -248.42105963890941     
  O     11.94203617     10.85465003    -14.24321167
  H     12.34369887     10.78030639    -13.36630364
  H     14.92804208      6.41486113    -11.14727328
  O     14.50686717      6.46034611    -17.83490387
  H     12.68881092     10.92171344    -14.85029702
  H     14.55160138      8.16719425    -14.07946373
  O     13.90635347      5.50046819    -12.30426037
  H     14.43137952      6.38344854    -18.78224677
  H     13.66853506      8.72143139    -12.93923554
  O     17.76353918      5.51931606    -10.85455295
  H     13.90717469      7.17797777    -17.56273687
  H     14.73776034     11.41696030    -16.36413407
  O     13.26503007      4.60515646    -16.01543598
  H     13.02518474      5.13518818    -12.16300909
  H     14.98621542     10.12585428    -15.55538918
  O     12.87637444      8.44009420    -16.96864568
  H     13.79595146      6.35365931    -12.75620419
  H     10.72085040      3.93076790    -11.88470839
  O     19.38243637      7.42410946    -12.27028354
  H     18.38915505      6.17723437    -11.18295151
  H     11.07211391      4.87069657    -13.06673960
  O     11.27446742      8.19632441    -14.52251981
  H     16.97367986      6.00862352    -10.59357583
  H     10.92423431      7.81962238    -12.48622400
  O     17.83200784      3.67663174    -12.86509947
  H     14.00666349      4.35161373    -15.45224386
  H     11.00652141      6.51565349    -11.67678496
  O     18.87039301      5.85553011    -14.41011164
  H     13.64253240      5.15925898    -16.70775554
  H     16.25663971      3.98089878    -13.81579726
  O     16.49290174      6.38246177    -15.85867110
  H     12.18930801      8.31196962    -16.30687324
  H     14.92385732      4.70997778    -13.52299048
  O     15.37806746      7.07240830    -10.59444565
  H     13.32400485      9.26115140    -16.72677584
  H     10.90296847      6.32863525    -14.77533230
  O     13.80817407      7.94952408    -13.50680279
  H     20.31244280      7.62368488    -12.21188344
  H     11.72947056      5.08290752    -15.20901079
  O     14.29406216     10.67650607    -15.95774329
  H     19.25478751      6.90504339    -13.08543905
  H     12.51204398      8.53317672     -8.98935161
  O     11.22069835      4.70795832    -12.11521132
  H     11.24997037      9.16389816    -14.48260725
  H     12.23819753      8.04203618    -10.42846584
  O     11.04908162      7.47789765    -11.59564206
  H     12.17373201      7.96682201    -14.23586846
  H     16.31938277      8.05718628    -15.23179818
  O     15.47920603      4.36440883    -14.23801452
  H     18.21442772      2.85947900    -12.55707867
  H     16.45579842      8.91989934    -13.93533305
  O     10.96346064      5.37032918    -14.68857695
  H     17.76979149      4.26726773    -12.09339697
  H     14.25257219     10.69824903    -11.80129838
  O     12.92663433      8.39794705     -9.83768347
  H     18.60488598      5.02421984    -13.99611236
  H     13.23486548      9.75077640    -11.09758958
  O     16.07765201      8.90183192    -14.82492993
  H     18.17359860      6.07454274    -15.04180289
  H     16.54624407     11.89381817    -11.20972680
  O     13.41916319     10.21994240    -11.92005766
  H     15.92589776      6.40626384    -16.64009835
  H     16.41308461     10.47092532    -11.78385031
  O     15.92884364     11.29688008    -11.62385714
  H     16.12699988      5.69535141    -15.28137276
  H     17.85260266      8.40741122    -12.17859115
  O     16.96997233      8.79886681    -12.16874725
  H     14.66477994      7.56799874    -10.17685464
  H     16.39861171      8.21474968    -11.65061684
          69
 Energy    -248.42103398293253     
  O     12.03362226     10.33397583    -15.28996775
  H     12.54558321     11.13441834    -15.12270916
  H     20.39332858      7.11436537    -13.95743679
  O     17.24754835     10.38842215    -11.45959890
  H     12.58871580      9.76920674    -15.84338445
  H     16.57653165     11.86122945    -16.39058465
  O     18.34398019     11.34561918    -16.12247996
  H     17.05695659     10.42393039    -10.51104036
  H     15.45778283     11.45701538    -17.36992718
  O     12.98993875      5.97476082    -16.66372795
  H     16.42493710     10.61475019    -11.91413121
  H     15.23051674      7.90669771    -13.89251637
  O     14.62728801      8.17168904     -9.37230359
  H     18.53785330     11.01400169    -15.22754164
  H     16.40471077      8.26297646    -14.82805486
  O     14.40681412      6.62424453    -12.79281534
  H     19.06517419     11.92368516    -16.35787724
  H     10.01877351      9.10162691    -13.19873511
  O     14.90412460     10.75371757    -12.93019291
  H     12.48131232      5.37110722    -17.19780178
  H     11.27352040      9.41035489    -14.05448124
  O     17.60205082      9.01076058    -17.57833219
  H     12.52920361      6.05371901    -15.80805221
  H     11.50197721      7.12585396    -13.92514464
  O     15.96827409      5.93499619    -10.62860001
  H     14.03229311      8.44574275    -10.08233212
  H     12.74931275      6.26596806    -13.64276403
  O     17.68629436      7.12951127    -15.61371226
  H     15.04841158      7.36055803     -9.67976368
  H     18.42241202     10.46230947    -12.88230865
  O     15.48119973      5.44733051    -15.31469249
  H     14.93901768      6.24252182    -12.08187413
  H     19.26429338      9.44698317    -13.68944902
  O     19.58542084      7.57448137    -13.74787797
  H     13.96114837      7.39425127    -12.40432541
  H     18.46971410      7.52815738    -12.24534391
  O     15.65596218     12.03596202    -16.62448122
  H     15.20597779     10.06886146    -13.54854908
  H     17.60750834      8.56368101    -11.48739548
  O     15.57251851      8.59854566    -14.47398029
  H     14.51905400     11.45776036    -13.46381062
  H     15.77006357      9.48313761     -8.96294371
  O     10.92294551      8.83882624    -13.34680661
  H     17.93434872      9.79603455    -17.12325163
  H     16.46220167     10.37499515     -7.91826090
  O     11.95933517      6.32015764    -14.19587826
  H     16.81229297      9.29965328    -18.04914209
  H     14.59929116      9.51942489    -17.95746688
  O     18.93061387     10.35174977    -13.69695484
  H     16.37341164      5.19493000    -10.18660820
  H     14.65898996     10.03186555    -19.41715787
  O     17.80637854      7.62041225    -11.55251330
  H     16.69049014      6.52011308    -10.92975560
  H     13.75635956      9.61950404    -12.07734319
  O     16.41943356     10.19808886     -8.85358036
  H     16.98044287      6.46898886    -15.64261820
  H     12.36831803      8.91856945    -12.17547481
  O     15.12655748     10.04224442    -18.58647312
  H     17.66461688      7.67418751    -16.41575847
  H     13.59459782     13.47098354    -14.74758179
  O     13.22809465      8.88178131    -11.73900268
  H     15.16479414      5.64480851    -14.42659075
  H     14.45115923     12.39733046    -15.46183998
  O     13.76608376     12.53406204    -14.78146797
  H     14.70510520      5.52938250    -15.88213698
  H     13.51827499      7.73038213    -16.75306758
  O     13.83068952      8.63778897    -16.64978106
  H     18.94469190      7.35380058    -14.44753093
  H     14.45541306      8.64309451    -15.90957985
          69
 Energy    -248.42095482009034     
  O     13.76690930      5.63312657     -9.37761879
  H     14.54634320      5.23762034     -9.79370218
  H     16.91154400     10.28823264    -12.28184937
  O     14.73554377      7.69134926    -16.88803706
  H     13.06571372      5.58599278    -10.03732580
  H     14.45808523      7.35323061    -12.75664961
  O     18.07680843      8.04485764    -14.39280522
  H     14.22232815      7.58265170    -17.68435695
  H     14.01602774      8.60602645    -11.92107538
  O     16.36310977     12.03248001    -12.69572476
  H     14.20281552      8.23866150    -16.28511606
  H     11.52686711      4.71265630    -11.93477700
  O     10.79821729      9.30509691    -14.20302527
  H     18.89090594      7.58564188    -14.15383690
  H     12.84587770      5.44588728    -12.26076291
  O     18.26680423      3.48971050    -11.58946589
  H     17.78032774      8.53445218    -13.61326340
  H     20.02724162      6.35766141    -12.61253337
  O     17.19153199      7.47018407    -10.15574523
  H     16.00472046     11.78791848    -13.57044257
  H     21.16327998      6.50221954    -13.65528379
  O     14.09941401     11.88229748    -11.03605503
  H     16.95556929     12.76604876    -12.83429400
  H     15.03056242      5.64493199    -13.78655108
  O     18.29313351      4.39877227    -14.14090175
  H      9.90910172      9.63938320    -14.28000635
  H     15.05513063      5.28174648    -12.27101175
  O     15.39696105     11.24333582    -15.06104436
  H     10.85744473      8.90460719    -13.31886401
  H     17.49162209      9.03742425    -15.86969378
  O     13.40324560      9.23278938    -15.05456323
  H     18.25067430      3.73462790    -12.53277888
  H     16.29574019      8.89827713    -16.82345025
  O     16.97843903      9.33047037    -12.19888068
  H     18.57022847      2.58768224    -11.54150726
  H     15.68638691      6.50470671    -15.79503668
  O     14.50968741      8.31503057    -12.70027775
  H     17.19135789      8.16619521    -10.82878936
  H     16.83968522      6.78274410    -14.81021527
  O     12.05718906      5.46864872    -11.69353549
  H     16.51019201      7.70589056     -9.51434785
  H     19.15616485      5.11950432    -11.02924546
  O     20.21572169      6.45633791    -13.56299215
  H     13.50789658     12.56667534    -11.34302127
  H     18.81012387      6.55753724    -10.57667886
  O     14.47524187      5.54396378    -13.00151179
  H     14.89696366     11.96237142    -11.57938466
  H     11.34399401      7.23712349    -11.70527162
  O     16.98499692      9.51167073    -16.54304366
  H     19.00250668      5.05292996    -14.09923732
  H     11.74474835      8.62318263    -11.16578567
  O     16.20518800      6.10411735    -15.08645971
  H     17.54820260      4.83622102    -14.57121853
  H     16.77542372      4.37157826    -11.01572168
  O     19.50312982      6.01910771    -10.97967713
  H     14.59122881     10.71331027    -15.08416484
  H     16.48886726      5.85224126    -10.63148443
  O     11.09790211      8.16957172    -11.72245936
  H     16.02714201     10.76911721    -15.62273107
  H     14.84786939      8.02373583     -7.57364054
  O     16.06963680      5.00120632    -10.82563916
  H     12.45651644      9.30748358    -14.87175603
  H     14.43854413      7.10934119     -8.75449812
  O     14.89657924      7.93813428     -8.52231950
  H     13.81411762      8.92920137    -14.23149311
  H     13.84357395      8.95451293     -9.70558062
  O     13.30869286      9.31578931    -10.42176530
  H     16.09991952      8.97752566    -12.41791491
  H     13.56957247     10.23886777    -10.55756413
          69
 Energy    -248.42092724157044     
  O     17.60674298      4.35624226    -15.11029955
  H     16.69032382      4.08687916    -15.24870306
  H     18.02582459      4.97500748    -11.48922266
  O     17.21023189      7.61040869     -8.93251863
  H     17.63542440      5.29418336    -15.34013472
  H     18.37269818     10.01246824    -15.12637008
  O     13.62524359     11.22775247    -11.97370176
  H     17.56975454      7.02353860     -9.60960166
  H     16.87103821     10.31885173    -15.23818211
  O     19.62831867     10.15630515    -13.66852956
  H     17.23142060      8.50762486     -9.28940602
  H     15.80102531      9.44175604    -13.01412411
  O     18.20061124      3.47361644    -12.60644711
  H     13.93497036     11.42763108    -11.08236906
  H     16.86594760      8.35841412    -12.65255282
  O     12.05902853      8.84844915    -11.51915906
  H     13.02185382     10.48088343    -11.87654976
  H     14.90756527      3.55958796    -14.16137395
  O     14.74651279      6.74383992     -8.24420449
  H     20.47924619     10.58557795    -13.66762957
  H     14.31996143      3.06948359    -15.50618982
  O     13.91482953      7.02504551    -12.33391260
  H     19.01364118     10.74451884    -13.19393379
  H     14.02804873     10.56389128     -9.04303622
  O     17.70706798     11.62519467    -12.45075625
  H     18.07823393      3.80252488    -13.51538284
  H     14.29753266     12.01392623     -8.56742642
  O     13.20371966      9.04947735     -8.91418238
  H     18.90184244      2.82850180    -12.64011684
  H     14.87337644      5.62834204     -9.74846629
  O     17.22006461      7.11789197    -15.44535122
  H     11.18480872      8.66491148    -11.85356663
  H     16.02040726      5.47418604    -10.77775207
  O     17.80408893      5.83250229    -11.10478586
  H     12.64228709      8.14803874    -11.85707028
  H     16.45380590      9.60315473    -10.90485947
  O     17.59167962      9.84715483    -15.66974785
  H     15.64325633      7.08366151     -8.42196565
  H     16.10482903     10.61803864     -9.78474105
  O     16.00070465      8.71301279    -12.41159408
  H     14.74589350      6.42859783     -7.34390245
  H     14.70043063     11.11689567    -13.36582924
  O     14.78563687      3.79503101    -15.09912374
  H     14.18730451      6.30784330    -11.74787665
  H     14.83666559     10.36553318    -14.72206531
  O     14.51321708     11.38391386     -9.24923707
  H     14.65087114      7.66034307    -12.32933589
  H     14.21009871      6.70417046    -14.08874903
  O     15.09720955      5.23707186    -10.60142606
  H     16.90525962     11.59852301    -12.98399698
  H     14.49689883      5.63074757    -15.16256341
  O     16.83741786     10.13694503    -10.19175521
  H     17.48114680     11.23378975    -11.59564933
  H     15.11273377      3.79480355    -11.79121065
  O     15.33649955     10.86013981    -14.05413044
  H     12.72531997      8.90097169     -9.73932223
  H     16.31591098      3.13639488    -12.48200429
  O     14.46804508      6.58414829    -15.01416015
  H     13.67037574      8.23177265     -8.70321576
  H     14.09253300      9.26305371    -16.81889609
  O     15.35278836      3.19932155    -12.51303666
  H     17.33485154      8.04954123    -15.68349271
  H     14.13267599      8.27347467    -15.64573489
  O     14.07003460      9.21526360    -15.86525544
  H     16.27597097      6.97699932    -15.29440982
  H     19.01441858      8.45789230    -13.20468235
  O     18.49080533      7.66080727    -13.05505853
  H     18.11237175      6.48810809    -11.74709005
  H     18.13840724      7.38238069    -13.91375855
          69
 Energy    -248.42090940255190     
  O     11.18252524      9.17800136    -12.80337378
  H     11.40303716      9.94564328    -12.26457356
  H     12.79005910     12.87152270    -14.33327853
  O     16.87072138      8.27885884    -14.87065659
  H     11.47305529      9.39180096    -13.70174253
  H     15.17083860     10.77932950    -13.85035321
  O     17.10499745     10.43594145    -10.82731722
  H     16.61074805      7.49341113    -14.36735880
  H     15.48554632      9.28701258    -14.17623673
  O     15.79393031     12.46586323    -13.93334908
  H     17.55017470      8.73244615    -14.35429398
  H     11.67079274      7.53887399    -12.53114440
  O     13.29052774      7.83666602    -16.90074825
  H     16.14582487     10.31199560    -10.83537498
  H     11.23990945      6.08124855    -12.24645134
  O     16.63682490      6.35134595     -9.60708193
  H     17.47023862      9.84684092    -10.15464838
  H     19.39104075      8.20641487    -12.12433728
  O     16.05169416      6.25063340    -13.21241399
  H     16.67976337     12.56012005    -13.56963921
  H     19.25294538      7.88906466    -10.62357326
  O     14.40101173      9.91087077    -11.10654168
  H     15.83929226     12.38707415    -14.90029362
  H     13.02826452      6.26009160    -14.02359743
  O     18.18719583      5.18742002    -11.73112541
  H     13.44041254      7.15830733    -16.22345839
  H     14.51083141      6.00043715    -14.31914687
  O     15.40591392     11.91690640    -16.56897164
  H     14.15219546      8.20945124    -17.11856018
  H     18.68081202     13.11219911    -11.99707234
  O     15.86507635      9.14517862    -17.27266557
  H     15.78524202      6.55350722    -10.01911818
  H     17.82336138     11.84722354    -11.77762678
  O     13.09573974     12.96080097    -13.42304576
  H     17.11520666      5.80002936    -10.23803382
  H     17.92726411      9.69347364    -12.33323036
  O     14.83468410      9.87400999    -13.77561339
  H     16.77885220      5.77297419    -12.79602576
  H     18.79578674     10.52692320    -13.25413904
  O     12.00131650      6.63012056    -12.41440514
  H     15.49963912      6.59239408    -12.49455653
  H     17.60155679      7.73695558     -9.22876179
  O     19.56119054      7.52455139    -11.46299157
  H     13.61676933     10.45914458    -10.98994113
  H     18.48564356      8.50871272     -8.21967394
  O     13.65311379      6.11690047    -14.74415421
  H     14.52336597      9.83452188    -12.06815799
  H     11.87276417     12.50260114    -16.78893676
  O     18.20897000     12.42374681    -12.45908787
  H     18.75102986      5.97985719    -11.68195637
  H     12.43248468     11.38533788    -15.87776619
  O     18.52962970      9.61795741    -13.08968335
  H     18.76987741      4.43516303    -11.78778275
  H     14.38311494      8.09386934    -10.99589925
  O     18.19607317      8.50297461     -9.12790777
  H     14.45502491     12.08683875    -16.57021058
  H     13.55756116      6.87147420    -11.46946593
  O     12.56960856     12.30449729    -16.16899323
  H     15.52205401     11.00496555    -16.86165059
  H     11.56155113     12.06297406    -10.81661421
  O     14.41447401      7.13391956    -11.10844807
  H     16.42600291      8.89850090    -18.00481273
  H     12.42823215     12.05039607    -12.09635073
  O     12.10156564     11.49836388    -11.36284968
  H     16.28476407      8.78987155    -16.47139444
  H     12.59378335      9.08348651    -15.86410334
  O     12.44804402      9.77586267    -15.20244295
  H     14.06080548     12.93569412    -13.48208375
  H     13.25592261      9.81183147    -14.66910040
          69
 Energy    -248.42071873961265     
  O     15.35793347     12.39385818    -12.54376623
  H     16.03116147     11.94163316    -12.02134187
  H     15.19425849      6.88191169    -14.80136346
  O     15.93523182      9.48716999     -7.40129035
  H     14.73903670     12.77459516    -11.90788754
  H     11.51179515     10.83756443    -10.06686208
  O     17.14551327      6.66528963    -10.59430551
  H     16.72845489      9.21187769     -7.87392481
  H     11.65632619     11.10298218    -11.57346300
  O     14.23647644      4.33739234    -10.75690299
  H     15.48252078     10.11124264     -7.98774949
  H     15.04719401      9.47961458    -15.07886185
  O     13.71189767      7.96281586     -7.15371432
  H     17.06580088      5.93949024    -11.22684380
  H     16.09503706      8.68359491    -14.29675483
  O     16.85147526     10.72771706    -10.77395104
  H     16.28497560      6.72506362    -10.14962556
  H     17.90793239      7.99131127     -9.62538292
  O     13.52073933     13.24810470    -10.51408342
  H     14.96387218      4.34022504    -11.38913163
  H     19.07572829      8.65878063     -8.86903673
  O     10.85017065      7.36743903    -10.60151329
  H     14.35202936      5.13835904    -10.22493560
  H     14.24742935      7.16026456     -8.74886670
  O     14.49231604     10.88001170     -9.34701898
  H     13.57212955      7.60915731     -6.27987809
  H     14.21818661      7.36884432    -10.30110949
  O     13.92189494      8.12400444    -11.95141756
  H     14.53343141      8.48564619     -7.12113210
  H     12.84675146     10.52453992    -13.65155060
  O     11.62759036      4.67838662    -11.31951704
  H     16.00073436     10.74010392    -10.30796618
  H     12.87402804      9.47635971    -12.51175763
  O     15.00414489      6.00279264    -14.44434669
  H     17.44929197     10.21944469    -10.21346441
  H     12.10239252      5.63312530    -12.82997024
  O     11.44541385     11.53412448    -10.73297442
  H     12.70266879     12.72653733    -10.60804702
  H     11.65333559      6.88004287    -13.62279727
  O     15.54747879      8.65759953    -15.09579841
  H     13.26754008     14.10511362    -10.18267693
  H      9.55979342      8.54660623    -13.74719139
  O     18.16620262      8.78514720     -9.12908641
  H     11.09152640      6.44050145    -10.71321744
  H     10.97136778      8.97581694    -13.28277417
  O     14.58676193      6.82839261     -9.58631365
  H     10.55795173      7.66261140    -11.47186627
  H     12.51752189      8.87939189     -8.34359514
  O     12.29912739     10.10312685    -12.97786013
  H     13.71484510     10.30741566     -9.39357526
  H     11.71114905      8.60820763     -9.64025278
  O     12.38818010      6.26630462    -13.50202293
  H     14.20461117     11.76132308     -9.61466116
  H     15.96522799      5.21684425    -13.24703370
  O     10.35527346      8.22476797    -13.33184160
  H     13.51387979      7.43800144    -12.49645993
  H     16.96346999      4.07192857    -12.96843454
  O     12.16905735      9.29974848     -9.13791904
  H     14.81525804      8.27582714    -12.28656056
  H     14.65587662     11.65462645    -13.96187434
  O     16.45824108      4.75874736    -12.54156706
  H     12.55173385      4.46754887    -11.09464979
  H     14.19434794     11.83632207    -15.42481269
  O     14.18484082     11.22104539    -14.69613544
  H     11.12685738      3.87509667    -11.20770868
  H     16.91958080      7.90820562    -11.98310706
  O     16.63418020      8.62982467    -12.55582568
  H     14.05417733      5.98585739    -14.27188061
  H     16.73084650      9.43969679    -12.03689243
          69
 Energy    -248.42050826408934     
  O     -2.36434190      1.62194020      1.78363550
  H     -1.42518680      1.79058365      1.63930287
  H     -0.97895528     -3.18263265     -1.18502737
  O     -2.97015278     -2.62531043      7.59888087
  H     -2.59528854      0.92787039      1.15493755
  H      2.69973086     -2.23954287      2.36832068
  O      1.58352866      0.54046844      3.26482080
  H     -3.11138725     -2.44728808      8.52455207
  H      4.02009997     -1.96137475      3.12280585
  O     -3.23317412      0.04065561      3.85974241
  H     -3.52680698     -1.99781859      7.10272230
  H      0.25904396     -2.02478820      1.70353280
  O      1.81289631     -3.72187370      5.05888153
  H      2.18633020     -0.21127195      3.26847837
  H     -0.52630259     -1.33209854      2.87202037
  O     -4.03764261     -4.63723852      5.83911969
  H      0.85160560      0.28871121      3.84693357
  H     -2.08976732     -4.08217566      0.77717349
  O     -0.77113358     -2.93755712      5.89980141
  H     -3.51912480     -0.72630877      3.34532724
  H     -1.48821840     -3.32380153      1.97081251
  O      0.91247903     -6.12578629      4.23242361
  H     -3.00160676      0.73436997      3.22516507
  H      1.48558390     -3.75052430      1.17211342
  O     -5.77865829     -3.10923906      4.43157117
  H      1.03338416     -3.32555852      5.47013074
  H      1.55695235     -2.65278367      0.07099124
  O      0.43910071      1.80874301      1.15675860
  H      2.22302893     -3.04726611      4.50617465
  H     -4.79109700     -2.52376085      2.99009243
  O      0.68208533     -5.27708804      1.54863257
  H     -3.26683059     -4.94249625      5.34213317
  H     -3.53619307     -2.95721997      2.19635850
  O     -1.87850880     -3.38571678     -0.90141498
  H     -3.69363392     -4.08149807      6.54918633
  H      0.42237714     -1.39123316     -1.40805825
  O      3.07054517     -1.90525357      3.20300348
  H     -1.42810252     -2.80650401      6.59534956
  H      1.10896863     -2.32208064     -2.43694218
  O     -0.61813728     -1.78411542      2.02455697
  H     -1.11418321     -3.64326797      5.33440383
  H     -0.63881952     -1.34724367      5.07385557
  O     -2.01569510     -4.10812872      1.74258886
  H      1.31522676     -5.29590573      4.54844120
  H     -1.52825465     -0.26602616      4.39557300
  O      1.77252160     -2.84054609      0.99282434
  H      1.36588064     -6.84071016      4.67004163
  H      0.00552779      0.71221883     -0.29560114
  O     -4.13237282     -2.21552439      2.35331842
  H     -6.66277354     -3.46272098      4.48058184
  H     -1.24229400     -0.07055762     -0.74476578
  O      0.75483019     -2.29560856     -1.55183970
  H     -5.20052959     -3.72419908      4.91846540
  H     -3.40151465     -1.21512699      0.85268252
  O     -0.61350507     -0.55198167      4.52527989
  H      0.88495299      1.35513280      1.89310782
  H     -1.86982745     -1.10707798      0.89416742
  O     -0.32743628      0.11938913     -0.98270617
  H      0.85546343      2.66317410      1.07325042
  H     -5.12013170     -1.65864327      5.55662018
  O     -2.64742330     -0.87143767      0.35785880
  H      0.83270017     -5.66928813      2.41850393
  H     -4.11525271     -0.50624769      5.39646439
  O     -4.55455045     -1.05880651      6.05747012
  H     -0.26181687     -5.09302160      1.50555795
  H     -1.89522544     -4.84947946      3.42032199
  O     -1.70978424     -5.09326923      4.33703209
  H     -2.28012071     -2.52935409     -0.71133842
  H     -0.87941960     -5.58638783      4.33647319
          69
 Ord_Energy   -248.420334    
 O    4.99460697      -2.41484952       5.56711674    
 H    5.29651880      -3.26663280       5.91860485    
 H    4.06933212      -2.49491096       5.29380369    
 O    3.23844218       2.98463416       4.12437153    
 H    3.07938290       3.77538157       3.61617208    
 H    2.66634989       2.28986430       3.75020170    
 O    3.49040604       1.46368694       10.6584787    
 H    3.84295726       2.08149648       11.2948799    
 H    4.05775166       1.52054942       9.87159443    
 O    1.63092899      0.958897889       3.31428623    
 H    1.29484701      0.622762859       4.15563250    
 H    1.96316516      0.186287224       2.84081912    
 O    7.12341595       1.59209955       6.64598465    
 H    7.25056887      0.624964714       6.65035009    
 H    7.99194765       1.98405695       6.61548948    
 O    2.31025219      -2.37301970       4.90808201    
 H    1.92048228      -1.58277702       5.31063414    
 H    2.33945084      -2.20269990       3.95825696    
 O    7.53055382      -3.01883984       8.76661491    
 H    6.70081711      -2.92087531       9.26269531    
 H    8.20410442      -3.25345159       9.39979649    
 O    5.69017744       1.51348877       4.12962818    
 H    4.90992069       2.08009672       4.15154648    
 H    6.14922762       1.63319457       4.96778154    
 O    4.00000048      -1.10338795       7.86144924    
 H    4.28876209      -1.54705596       7.05500460    
 H    3.07616639      -1.32906270       8.03557014    
 O    4.99746799      -2.79219127       9.84114075    
 H    4.69756269      -2.15232658       9.17720222    
 H    4.60210896      -3.63889861       9.59070301    
 O    2.67813778       2.21684647       6.75437403    
 H    3.50624251       2.02488828       7.21446419    
 H    2.89717793       2.60671592       5.89922857    
 O    2.86775589      -1.30785346       11.1239128    
 H    3.11209822     -0.376581132       11.0475187    
 H    3.66782427      -1.81752348       10.9476519    
 O    1.47327459      -1.87688088       8.82199383    
 H    1.83068836      -1.71552062       9.70784760    
 H   0.731572866      -1.27704215       8.68362331    
 O    5.21716309     -0.997877955       3.09373260    
 H    5.31869698      -1.55074584       3.87642050    
 H    5.42823076      -9.67203677E-02   3.38148928    
 O    4.87898064       1.42911267       8.28226852    
 H    5.69827890       1.58616292       7.79784632    
 H    4.62314701      0.505294383       8.12138367    
 O    1.98416150      -4.04550743       7.20137167    
 H    1.67729509      -3.34920526       7.80185223    
 H    2.02118325      -3.64184999       6.32698631    
 O    7.27401876      -1.09465480       6.68175125    
 H    6.55960321      -1.51026022       6.18395472    
 H    7.47583675      -1.69847107       7.40636110    
 O    3.89995289      -5.15472651       8.73215199    
 H    3.19224811      -4.81061172       8.15661240    
 H    3.58269691      -5.97796202       9.09299946    
 O    5.97857714      -4.58723831       6.88896561    
 H    5.29546070      -4.91971684       7.48592710    
 H    6.65108585      -4.19375277       7.45766354    
 O    2.70370793      -1.45663738       2.26255417    
 H    2.69141793      -1.84633660       1.39312363    
 H    3.63744879      -1.27179468       2.47696900    
 O    1.20271206      -2.18412392E-02   5.93118048    
 H   0.487894326      -6.31247163E-02   6.57630062    
 H    1.78764582      0.690731108       6.22653627    
 O  -0.486233681       3.35097089E-02   8.20845413    
 H    1.59097500E-02  0.780342519       8.58347416    
 H   -1.40364814      0.178314731       8.42068481    
 O    1.13268113       2.00986600       9.07806396    
 H    1.59242761       2.24895024       8.26044369    
 H    1.82526124       1.84184992       9.72694969    
          69
 Energy    -248.42026495239747     
  O     11.61026075      9.56877026    -14.84722925
  H     11.98817917     10.45555894    -14.86163280
  H     18.55352643      7.97241208    -14.75850615
  O     16.44626197      7.19372290    -12.51072773
  H     12.21866505      9.01221210    -15.35167613
  H     15.75560518     11.36484849    -16.26031769
  O     16.55593156     11.60081230    -11.71585449
  H     16.05367154      7.90975182    -13.03576985
  H     14.89594212     10.69671843    -17.32799696
  O     17.17652581     10.62653510    -15.38185677
  H     15.72568187      6.84397953    -11.96875182
  H     15.87296998      9.65898591    -14.47357650
  O     13.53799620      5.26823554    -15.34898380
  H     16.64235856     11.27510686    -10.81002366
  H     14.72447349      9.73795542    -13.43459592
  O     14.35361961      9.27625421     -8.52202796
  H     17.36036043     11.33674477    -12.17630313
  H     11.08141897      8.71493486    -13.43702698
  O     14.23521761      6.58035521    -10.95810673
  H     17.40772766      9.77411261    -15.78038154
  H      9.89764058      8.23572147    -12.56316897
  O     13.99608746     11.06542253    -12.44095002
  H     17.81638891     10.80569860    -14.68333442
  H     17.23050322      7.71565210    -10.80014953
  O     17.40283337      8.04596233    -16.41708279
  H     13.14897449      4.47386122    -15.70365027
  H     17.31110485      8.78919527     -9.68688800
  O     15.46260850      6.62037151     -8.43824514
  H     13.12469744      5.42021386    -14.47916597
  H     13.06207698      5.93662991    -12.23287683
  O     16.31371017      5.88734869    -15.07369213
  H     14.60639229      8.36159463     -8.34617281
  H     11.82289301      6.57891583    -12.88708314
  O     18.81501043      8.09028997    -13.83773119
  H     13.73665695      9.24766630     -9.26581891
  H     18.94010999      9.76653260    -13.32191148
  O     14.90790807     11.44491451    -16.72158503
  H     13.81918803      7.45636241    -10.95567402
  H     19.77736717     11.03217890    -13.02593088
  O     15.21412681      9.13125352    -14.00430096
  H     14.55783031      6.42550100    -10.06239881
  H     15.83119966     10.14136693     -8.88739388
  O     10.84663182      8.19650747    -12.64627862
  H     14.88418827     11.38388125    -12.21005722
  H     17.02312053     10.97251392     -8.36069713
  O     17.43013995      7.84742959     -9.86611929
  H     13.66871516     11.55554796    -13.20446642
  H     14.85423077      8.58790246    -18.90342044
  O     12.43964164      5.84132579    -12.96620228
  H     17.02233687      7.24948615    -16.01323901
  H     14.56312600      8.52496073    -17.38555731
  O     18.88362602     10.72277636    -13.14847935
  H     16.78757513      8.29914257    -17.11569714
  H     13.27607008      9.80606386    -11.41297110
  O     16.70311023     10.50292313     -9.12676612
  H     15.78740357      6.01739322     -7.77570354
  H     12.12321457      8.77318268    -11.41130929
  O     15.17166922      8.88485988    -18.05432556
  H     16.24227895      7.00010598     -8.88321595
  H     12.64893718     12.92853513    -15.10483226
  O     12.92081534      9.03973525    -10.93811363
  H     15.40934674      5.57694359    -15.20143992
  H     13.67303114     11.86811474    -15.56642589
  O     13.00780381     12.07266400    -14.88542020
  H     16.37620512      6.12877623    -14.14218010
  H     14.20018367      8.32977554    -15.26392551
  O     13.63864160      7.98748023    -15.97754862
  H     18.14234764      7.63648258    -13.31476893
  H     13.54774003      7.03675304    -15.83864208
          69
 Energy    -248.42020278590144     
  O     13.01062041     11.76921360    -16.96042956
  H     13.77081985     11.52904023    -17.50434718
  H     13.26261553      7.25276746    -15.44470497
  O     17.75657348      6.41112196    -14.23364636
  H     13.36883089     12.00334809    -16.09429674
  H     15.69749384     11.35587499    -15.36565864
  O     18.60759330     10.03557574    -11.59243074
  H     17.05281781      5.75325475    -14.24264134
  H     16.19724113     10.95484761    -16.77146785
  O     18.03909502     11.95548122    -13.69220143
  H     17.93074355      6.61564509    -13.30213876
  H     14.91421476      7.86507034    -12.43695439
  O     15.25844055      4.86322889    -14.35760559
  H     17.72902577     10.28497655    -11.26034625
  H     15.53457444      8.65826424    -13.61733861
  O     14.31733573      9.08031099     -9.40313576
  H     19.24182744     10.34131320    -10.94698850
  H     11.84315582     10.47190702    -17.07049097
  O     14.46094086      6.12038928    -11.98109468
  H     17.68388149     11.59579798    -14.51644921
  H     10.49984761      9.93770764    -17.62234274
  O     12.79751610     10.16850150    -13.00626078
  H     18.35127113     11.21400950    -13.16080337
  H     18.32640863      8.14180664    -11.60722251
  O     13.67467197      8.42343212    -18.17964371
  H     15.15179083      3.98850859    -14.72269048
  H     17.42466505      7.09706319    -10.91595491
  O     15.88586487      6.71787712     -9.75196157
  H     14.78238989      5.47162417    -14.94867600
  H     11.70014855      7.23117944    -13.16857564
  O     16.18729114      8.36448272    -15.23305603
  H     14.89323914      9.75585601     -9.78469456
  H     11.74652953      7.62083391    -11.67312646
  O     14.03694453      6.82776252    -15.83784967
  H     14.84061020      8.26927495     -9.40179684
  H     16.74058409     12.79702402    -12.90191947
  O     16.47471889     11.04052572    -15.85015060
  H     14.74629179      5.60030189    -12.74190799
  H     16.10589971     14.02273423    -12.19641554
  O     15.10538850      8.75483412    -12.75682801
  H     13.50800179      6.28032402    -12.06417474
  H     15.69187245     10.00824234    -11.63826022
  O     11.29729774      9.67136839    -17.17282727
  H     12.33888873     10.02029155    -12.17099766
  H     15.84954440     11.54496148    -11.40915999
  O     18.09989905      7.20398664    -11.59448421
  H     13.61889110      9.65292851    -12.94345725
  H     15.54663911     10.74829757    -19.25189837
  O     11.86297261      6.88160374    -12.28336815
  H     12.79975409      8.76929561    -17.96263519
  H     14.76620523      9.79738982    -18.31590714
  O     15.93363130     13.12359090    -12.46210846
  H     13.84679247      7.73581024    -17.52513422
  H     12.70856841      9.13445548    -10.09647507
  O     15.99134149     10.68112612    -11.00409078
  H     15.36004924      6.39853079    -10.50673656
  H     11.20247444      9.40936371     -9.88472801
  O     15.26207807     10.63485265    -18.34891587
  H     15.98978696      5.97749414     -9.15884739
  H     14.72406638     12.54784967    -13.77532621
  O     11.84839033      9.18754916    -10.54994628
  H     16.49659665      9.23869049    -15.49260380
  H     13.64851362     11.44880065    -13.94445203
  O     14.23589118     12.04142713    -14.43561034
  H     16.92185005      7.78449736    -14.97761757
  H     11.52783593      8.67288973    -15.60770954
  O     11.84574679      8.25412209    -14.79820809
  H     14.79616746      7.41403093    -15.67946529
  H     12.12890811      8.97695957    -14.22004774
          69
 Energy    -248.41969925709063     
  O     11.19997754      9.97359852    -15.07345225
  H     11.78067384     10.69576140    -15.33824292
  H     13.99778325      5.03774896    -14.86984245
  O     15.59456466      6.76639402    -12.84610931
  H     11.52115119      9.18841623    -15.53864489
  H     19.03742785      7.18927335    -14.46538492
  O     17.01632224     10.83310503    -13.09711047
  H     16.37688912      7.22531637    -12.51738816
  H     19.48632554      6.07883253    -13.50788611
  O     16.89120001      9.79701632    -15.68980024
  H     15.19065268      7.36195395    -13.49822548
  H     14.23783464     10.92549949    -16.93598406
  O     12.12711067      5.42392630    -14.67432657
  H     16.05291499     10.91747352    -13.14143128
  H     15.64793016     10.30262266    -16.94930205
  O     15.32719213     10.98908288     -9.61982870
  H     17.29466189     11.44346374    -12.39893563
  H     13.85872490      8.29273735    -15.21133491
  O     14.02768066      7.44157915    -10.68692012
  H     17.09411823     10.21506147    -14.84164314
  H     15.32460921      8.86294351    -15.16188374
  O     14.23692117     10.89440541    -13.30636293
  H     17.54502324      9.10533311    -15.84633659
  H     10.84677530      9.67252211    -13.40371290
  O     16.23370275      6.42031467    -16.93689165
  H     11.49667939      4.70844957    -14.67088329
  H      9.75233453      9.63997920    -12.31220105
  O     16.39671867      8.34561404     -9.38717006
  H     12.01659770      5.89596412    -13.82921926
  H     12.47478672      6.91352229    -11.67964659
  O     18.53120524      7.55756971    -16.19070825
  H     14.44974723     10.82355379     -9.98472235
  H     11.35863656      7.68154467    -12.41126893
  O     14.95967098      5.00894886    -14.92927017
  H     15.69810516     10.11810027     -9.42957101
  H     18.33263492      7.96494686    -12.35597618
  O     19.28178622      7.01093634    -13.54492013
  H     14.51322466      7.12109204    -11.46306869
  H     17.46102881      9.25690443    -12.26255394
  O     14.82970970     10.37464126    -17.46136571
  H     14.71239218      7.65348559    -10.04201129
  H     16.61056094     11.96019130    -10.39022134
  O     14.58094870      8.55352324    -14.62801519
  H     13.81560950     10.73842132    -12.45255545
  H     17.59684162     13.14080851    -10.35614913
  O     10.67416182      9.45413827    -12.47044416
  H     14.28032608     10.02908947    -13.74556065
  H     14.41807681      8.80920724    -18.09973594
  O     11.80898171      6.82894801    -12.37246960
  H     15.55273120      6.85576586    -17.45961622
  H     14.10062312      7.88507744    -19.30037567
  O     17.64995795      8.41043290    -11.83440553
  H     15.78141744      5.87007897    -16.27986954
  H     12.12794264      9.94409324    -11.39273194
  O     17.33917262     12.38448366    -10.87521428
  H     16.90649856      8.36012090    -10.21574924
  H     13.34082743      9.14471385    -10.86959028
  O     14.20253554      7.89265644    -18.35244998
  H     16.98509634      8.02245578     -8.70963061
  H     13.60577379     11.68063612    -14.77317339
  O     12.99556724     10.04274769    -10.98042109
  H     17.71955916      7.09408098    -16.47179098
  H     13.16607921     12.87690692    -15.64673440
  O     13.22628941     11.92474025    -15.63483229
  H     19.13445807      7.53154270    -16.92880445
  H     12.28916089      6.86821947    -15.81232184
  O     12.41677154      7.73959456    -16.21056580
  H     15.27624649      5.44815206    -14.12782061
  H     12.92180217      7.64474465    -17.02809570
          69
 Energy    -248.41967333117199     
  O     12.46557886      9.92248727    -16.44885792
  H     11.98573172      9.50170810    -15.72161335
  H     16.82872915      5.26769414    -14.73168838
  O     16.40816771      5.99658849    -13.17276374
  H     12.56275890     10.84431518    -16.21098099
  H     19.71245326      7.76560377    -14.63967913
  O     17.23851522     10.36643348    -11.84858477
  H     15.54899146      6.08526383    -12.73643040
  H     21.10749238      7.79572751    -13.96791170
  O     18.06575272     11.58838863    -16.39331891
  H     17.05092443      6.51388897    -12.66643389
  H     16.19684427     11.75893706    -16.25689588
  O     14.43420274      5.99034074    -16.51255880
  H     16.46087096     10.54685299    -12.39622667
  H     15.05563005     10.81213064    -16.63189814
  O     13.80737555      9.30154012     -9.61030976
  H     16.96649917     10.46446373    -10.92794379
  H     17.11530309      8.23852042    -15.12486054
  O     13.98386519      6.54443056    -12.02754803
  H     18.41312947     11.27902788    -15.53826654
  H     16.12047524      7.52044950    -14.20108346
  O     15.14029985     10.54923036    -13.63027644
  H     18.64069955     12.29260308    -16.68220035
  H     11.64618330      7.70024272    -14.42737702
  O     17.61912034      9.11683096    -17.76183792
  H     15.31976567      5.65050181    -16.34245113
  H     10.28057698      8.40805908    -14.24195636
  O     14.48544571      6.52174393     -9.27797745
  H     14.55298009      6.84330656    -16.94526832
  H     17.52387446      7.47200412    -10.14132366
  O     18.64815709      7.37156736    -15.95760626
  H     13.88542752      8.36152065     -9.40706346
  H     16.88149143      8.48340600     -9.17418473
  O     17.04885436      5.05745749    -15.65636376
  H     13.45709597      9.35256697    -10.51005920
  H     13.17972790      6.08871403    -15.19244540
  O     20.19663961      8.04849244    -13.84333176
  H     14.07979609      6.40659213    -11.07679313
  H     13.02351719      6.13026748    -13.64448510
  O     15.24130779     11.63687619    -16.17004303
  H     13.71623550      7.46756543    -12.14284576
  H     18.46946098     10.68641125    -13.22602867
  O     16.24094710      8.32005582    -14.72657460
  H     15.55112811      9.73556858    -13.96623675
  H     19.53304890      9.84866076    -13.95903266
  O     11.21656797      8.57046030    -14.32222659
  H     15.08081669     11.12799259    -14.40056360
  H     18.96395931      7.74761215    -12.45132413
  O     17.00378045      7.53838601     -9.33037435
  H     16.65865909      9.01517224    -17.77126350
  H     17.81046333      8.61914354    -11.90718004
  O     12.54985606      6.25091622    -14.47563299
  H     17.79552894      9.99327000    -17.39568343
  H     15.36372801     10.03041994     -9.33678097
  O     19.01392093     10.65815541    -14.02347876
  H     14.37321864      5.92393992     -8.54413601
  H     16.28867707     10.94040814     -8.49186975
  O     18.17469500      7.72137742    -11.89727124
  H     15.41671455      6.80805443     -9.26980228
  H     13.77495272      9.75182801    -12.77575886
  O     16.28692643     10.31678248     -9.21279598
  H     18.38913744      7.91461694    -16.71850938
  H     12.38470241      9.07728150    -12.94606777
  O     13.11644546      9.20007698    -12.32955330
  H     18.16421001      6.53702777    -15.99589762
  H     13.95887034      9.09645483    -16.97177268
  O     14.87071482      8.79935091    -17.11205072
  H     17.21805757      4.11923433    -15.69406163
  H     15.24982058      8.61082974    -16.23929648
          69
 Energy    -248.41955938065374     
  O     10.67483536     10.04518495    -10.61276564
  H      9.94330675      9.99833843    -10.00364811
  H     13.31258926     11.50103959    -10.05654857
  O     15.23660996     10.47303762    -13.12684817
  H     11.45994813     10.30147719    -10.09482799
  H     12.31096044     11.82739973    -16.95177554
  O     17.54403380     13.61368432    -14.03715212
  H     16.16306711     10.74072199    -13.09278842
  H     11.06404205     11.51738674    -17.80912796
  O     16.76467396      7.18932923    -13.25337621
  H     14.99776368     10.30012751    -14.04458032
  H     14.42159427     14.57348389    -13.84075484
  O     11.49040229     11.80823764    -12.64275613
  H     18.33062875     14.15290289    -14.00654276
  H     15.85732397     14.20581214    -13.40687758
  O     13.29536095     14.72946907    -15.34020521
  H     17.72609580     12.82546832    -13.49660842
  H     16.99336833     12.68913147    -15.61169369
  O     14.03208465     12.35628562    -16.70082443
  H     16.42875743      7.22429567    -14.15830474
  H     17.15060174     11.27432366    -16.21247458
  O     15.20686186      9.12327656     -9.26506292
  H     16.00824262      7.36351884    -12.67873578
  H     18.36604183      9.44962060    -15.00105681
  O     14.04969840     12.37088410    -11.54654268
  H     11.06431854     11.27661975    -11.95786655
  H     17.29776599      8.92560458    -15.96653852
  O     14.18215589      9.77473492    -15.60794430
  H     12.34209599     12.08828229    -12.28404940
  H     16.17717818     10.68526548     -9.76916603
  O     18.89313034      8.86477707    -13.20497852
  H     12.41571033     14.38633360    -15.10306487
  H     15.74675658     11.99893995    -10.43686860
  O     12.95452694     10.86273895     -9.42482123
  H     13.15910979     15.58526740    -15.73903761
  H     11.58979429     10.53449278    -13.95438856
  O     11.37393838     11.57241714    -16.90862992
  H     15.00211857     12.29503174    -16.69971438
  H     11.34719408     10.31527808    -15.46424837
  O     14.97642159     14.40914502    -13.06838711
  H     13.82081962     13.17889172    -16.24116977
  H     15.57638716      7.07731361    -16.62638680
  O     16.68101201     12.11376073    -16.31919349
  H     14.99940268      8.69599930    -10.11408560
  H     15.21779507      8.37001260    -15.85738474
  O     17.90388176      9.66171437    -15.81920933
  H     15.46330308      8.43047206     -8.66225190
  H     11.72787262      8.53416346    -13.23643527
  O     16.52194005     11.49726355    -10.16226413
  H     14.32944344     13.19505506    -11.97374320
  H     11.42233507      8.67864579    -11.73788918
  O     11.60006915      9.86097585    -14.65110448
  H     14.41786016     11.65182022    -12.08424495
  H     18.31001903     10.51499130    -12.68989666
  O     15.86643843      7.64811066    -15.91953200
  H     14.21070656     10.64153129    -16.03327265
  H     17.51813206     11.38488267    -11.64205193
  O     11.90895941      8.14012177    -12.37462599
  H     13.29300369      9.67575034    -15.23960048
  H     10.89127394     12.87113144    -15.54153157
  O     17.84743820     11.35150205    -12.55377145
  H     18.15642966      8.22868879    -13.16403719
  H     11.00833386     12.98083544    -14.00424261
  O     10.93995694     13.50403244    -14.81492775
  H     19.69255420      8.37003585    -13.04756738
  H     13.65258938      8.03794361    -11.93748761
  O     14.59194088      8.17962792    -11.75225750
  H     13.67617548     10.25288519     -9.23007917
  H     14.84431149      8.98601489    -12.22784539
          69
 Energy    -248.41921832712552     
  O     12.65143451     12.72726650    -13.13490657
  H     12.39222982     13.64463388    -13.10376117
  H     12.02996685     10.13001814    -16.12831512
  O     19.28756043      9.06405185    -13.67867971
  H     13.33250978     12.65011413    -13.82546193
  H     15.44633461      9.04526075    -14.99601467
  O     16.08758807     10.35783247    -12.01798301
  H     19.08579338      9.94031209    -13.33225284
  H     14.15494893      8.97862753    -14.17596358
  O     11.31213869     10.53191904    -14.46894038
  H     19.42979543      9.17212055    -14.62876992
  H     14.22316264     11.95703852    -18.61046973
  O     12.98897802      7.50317276    -14.04719311
  H     15.76743618     10.04776305    -12.87989373
  H     13.74555042     10.92892885    -17.55633622
  O     14.45587226      6.18505305    -12.13054621
  H     16.90153074     10.85073946    -12.17318045
  H     13.78590879      9.42109754     -9.85645656
  O     18.53615534      6.87312860    -12.33426487
  H     11.64813495     11.34317880    -14.07033688
  H     14.86907745      8.32367381     -9.73791314
  O     14.48568935     12.16935766    -15.07329659
  H     11.14310125      9.94379384    -13.72398400
  H     18.70942316      9.77356935    -16.81154018
  O     16.32849502      7.85331714    -10.88785370
  H     12.36187438      7.97243517    -13.48246553
  H     20.13681791      9.33373986    -17.16092118
  O     16.96467754     10.20371424    -17.18485672
  H     13.54741945      6.98055857    -13.45466803
  H     16.36372054     12.39832440    -15.03396831
  O     16.50179291      6.09940500    -14.17497069
  H     13.69405117      6.16031025    -11.53885382
  H     17.33650441     11.53197019    -15.83599039
  O     12.48771742      9.93446665    -16.95834784
  H     15.10782969      6.75777121    -11.69930518
  H     19.01396691     12.35346965    -12.48656889
  O     14.92510174      9.53328943    -14.34667011
  H     19.31647494      6.37419293    -12.10940180
  H     18.10211148     11.90288092    -13.65571228
  O     14.48454772     11.51495707    -17.80744336
  H     18.83789931      7.66358969    -12.81972842
  H     14.39510220     10.68849638    -11.45559325
  O     13.99306228      8.58383012     -9.42277035
  H     14.59364266     11.24087454    -14.81026886
  H     13.12747090     11.51176953    -11.75240354
  O     19.55578935      9.50543372    -16.42376899
  H     14.42146298     12.15471719    -16.03618701
  H     16.24942276      7.15953201    -15.59429900
  O     17.30299228     12.20649910    -15.14686134
  H     17.13707335      7.46048686    -11.24009038
  H     15.10193888      7.54463249    -16.57213564
  O     18.45433732     11.64208518    -12.78461266
  H     16.29407821      8.75148654    -11.24948909
  H     12.19057065      9.52236103    -11.80544601
  O     13.45322276     10.76070458    -11.24120142
  H     16.67849663      9.30833970    -16.94517661
  H     11.58949004      8.12731932    -11.52372101
  O     15.98039128      7.80408667    -16.26720645
  H     16.17857470     10.66083098    -17.50625242
  H     11.80385658      6.25370597     -9.68561030
  O     11.55031961      8.87373377    -12.13421056
  H     15.77945075      5.92066944    -13.56248511
  H     12.84924146      7.36955939     -9.92833461
  O     12.25679686      6.73513753    -10.37256774
  H     17.26207592      6.30361911    -13.61568677
  H     13.08598274      7.22649069    -15.76729538
  O     13.24536528      7.18831096    -16.72752728
  H     12.66914890      8.98800392    -16.96270390
  H     12.80971885      6.40323282    -17.04897942
          69
 Energy    -248.41886995173797     
  O     -7.19124878     -2.75597826      6.46675156
  H     -6.38183546     -2.26287921      6.64245937
  H     -7.97234622     -0.53371980      4.61608281
  O     -9.40653368     -2.85934624      2.52207320
  H     -7.91457011     -2.11389664      6.44479925
  H     -4.37843281     -1.26201209      5.92406671
  O     -7.56689441     -4.24884965      4.24622413
  H    -10.05363935     -2.36785695      3.04064917
  H     -4.05020318     -1.54311609      7.41032449
  O     -5.53915224      0.60989608      0.48006507
  H     -8.89936390     -3.39181445      3.14693368
  H     -2.67615663      3.85570278      2.03867299
  O     -6.12611081      1.08514524      6.18697509
  H     -7.43434849     -3.78012397      5.08966378
  H     -1.32183704      3.43325554      1.41618149
  O     -5.89707611      5.21309122      1.03069703
  H     -7.53154993     -5.18169054      4.43918951
  H     -9.30116177      2.74027476      5.34033356
  O     -9.19371508     -0.86321591      5.95793573
  H     -6.33972311      0.93532240      0.92122004
  H     -8.86363323      3.44811194      4.03339033
  O     -3.88144727     -1.23188205      4.27128300
  H     -5.77115411     -0.26574754      0.16691629
  H    -10.38990520      1.84510035      3.47190966
  O     -4.53974543      3.19219787     -0.19547167
  H     -5.59749280      0.39082814      6.59871543
  H     -9.80670452      1.09740182      2.27361192
  O    -11.19783225     -1.20439310      4.06128638
  H     -6.46560520      0.68985563      5.36665351
  H     -6.44977012     -2.18888139      2.05674655
  O     -3.73046550      1.04948052      2.60397207
  H     -5.45876436      4.50725257      0.52257622
  H     -6.41970908     -3.16147080      3.26967678
  O     -7.25274148     -0.22482275      4.04977992
  H     -6.10679306      5.90814825      0.41268443
  H     -8.34058478     -2.06246161      1.30871642
  O     -4.74556218     -1.25022570      6.82776542
  H     -9.21818456      0.02653918      6.33107278
  H     -7.91068379     -0.63330117      0.95344551
  O     -2.23266336      3.16856927      1.50901303
  H     -9.98004028     -0.98872066      5.40951257
  H     -7.74355186      1.60686426      6.75869682
  O     -9.63087645      3.11091673      4.51393137
  H     -3.69236269     -0.44045756      3.75243375
  H     -8.77352080      2.17475513      7.76333309
  O    -10.56679442      1.11152031      2.86309810
  H     -4.48492769     -1.75927894      3.72919850
  H     -4.17193552      4.31771895      3.57705744
  O     -5.95212227     -2.42605120      2.85214934
  H     -4.87980967      2.29062214     -0.14375453
  H     -4.46377576      5.19640492      2.34704486
  O     -7.66056689     -1.55499474      0.83460738
  H     -3.67499181      3.17150246      0.23363695
  H     -4.62135000      2.17918560      3.73681817
  O     -8.69040300      1.77250494      6.90197406
  H    -12.14058620     -1.34484447      4.05160065
  H     -5.33436845      2.35922799      5.10002780
  O     -3.75497982      4.91114345      2.93683260
  H    -11.03258934     -0.36207651      3.59794267
  H     -7.77533333      2.14636591      2.08119723
  O     -5.06719695      2.82795322      4.30065914
  H     -4.31688436      0.81486713      1.87225159
  H     -7.69587949      0.70205278      2.62593018
  O     -7.87247290      1.21933541      1.82212780
  H     -3.08195277      1.67055905      2.24810578
  H     -6.97312297      4.31508246      2.26472116
  O     -7.32514574      3.69646850      2.91645281
  H     -6.77810073     -0.99837382      3.72037766
  H     -6.56923596      3.40484967      3.44687832
          69
 Energy    -248.41884926494083     
  O     19.44065008     10.95769329    -18.58069963
  H     19.14439793     11.80892595    -18.95411720
  H     17.81804947     13.50872791    -18.84200803
  O     17.90536671     18.57069775    -14.08259508
  H     19.39467227     10.31778366    -19.28560408
  H     21.24719623     15.67643214    -17.81818280
  O     22.48096212     12.42414927    -15.05914990
  H     17.37861942     18.60058631    -14.89431365
  H     19.98835937     15.07757699    -17.19695682
  O     15.89508014     14.77330468    -13.44897057
  H     18.81869084     18.41830705    -14.35308458
  H     14.96442139     11.92183321    -14.22968790
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  H     23.05562121     11.68949902    -14.86427373
  H     14.69095330     13.42362121    -14.03475953
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  H     22.26839390     12.37771994    -16.01035878
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  O     13.87473862     12.57637972    -17.12139570
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  H     22.47857571     15.44420111    -13.95267460
  O     21.69193261     12.43462310    -17.61727000
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  H     17.32894761     12.09464510    -12.88234601
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  H     18.57830726     12.89665548    -13.28140675
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  H     16.96633000     12.62361428    -17.03974030
  H     16.24287641     18.55053795    -17.30458210
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  H     16.37979543      9.81333205    -13.87853738
  H     21.87660135     16.57489565    -11.81078633
  O     20.57333655     15.00376541    -17.96601170
  H     12.95609100     12.72886940    -17.32429907
  H     20.59845730     15.84724883    -12.27698602
  O     14.32284313     12.61762131    -14.41834997
  H     13.94355008     12.59331935    -16.15119452
  H     20.86643529     17.28050988    -14.01630628
  O     22.95707590     15.18744322    -14.75101347
  H     21.02378624     11.83011830    -17.95952510
  H     21.12770071     17.57923933    -15.52121057
  O     17.82974214     12.88868842    -12.66379054
  H     21.36696588     13.32648231    -17.80356023
  H     18.32354611     15.92526442    -11.78521712
  O     16.40589788     18.31035623    -16.39635052
  H     22.66776169     16.24702901    -16.09636219
  H     18.66407638     14.42354864    -11.85633083
  O     21.43824811     16.23103433    -12.58528445
  H     23.18261658     17.31708962    -17.08934434
  H     18.52907241     11.09665663    -16.95461879
  O     20.48099452     17.67510777    -14.81115305
  H     17.22550190     17.63102856    -12.82441984
  H     18.71575750     11.91344033    -15.64583605
  O     19.05225793     15.29489557    -11.71706135
  H     16.43612362     17.62945757    -11.49371362
  H     19.50241842     16.19377996    -15.32151259
  O     18.07709112     11.39127865    -16.15417838
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  H     18.17570172     15.50597566    -15.77711716
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  H     16.13319382     15.29341579    -15.16649741
  O     16.39918330     15.57374734    -16.05336854
  H     19.25551756     14.07776727    -19.02429243
  H     16.35239716     14.80243040    -16.63439251
          69
 Energy    -248.41848447639165     
  O     -2.74010831      0.82364988      3.76887554
  H     -2.74752355      0.86586074      4.73613269
  H      0.40031897     -2.28786731      2.70584980
  O     -1.75082567      3.40008655      6.93985002
  H     -2.73746111     -0.11330400      3.53351449
  H     -1.54896674     -3.79755922      8.29704709
  O      0.72106024     -0.88362630      1.51818521
  H     -2.07400582      4.13131771      7.45910338
  H     -1.00448915     -3.74467329      6.85111160
  O      3.17110822      0.54776577      1.89605206
  H     -1.63823642      3.72923168      6.02980927
  H      0.37485423     -0.75349860      6.64051302
  O     -1.19599076     -0.22335506     -0.47028035
  H      0.49375604     -0.21310532      2.18237161
  H     -0.60866537     -1.48676929      7.58017272
  O     -2.54986847     -1.93628847      3.39225730
  H      0.14616561     -0.72015773      0.76283878
  H     -0.14084842     -4.02999517      4.71898557
  O     -3.23734827     -1.55116232      0.76392562
  H      2.85822631      1.40294699      1.57913321
  H      0.20496618     -5.40090550      5.31627342
  O     -2.75890039      3.03590660      2.18481106
  H      2.47385604     -0.07781515      1.66359474
  H     -0.06235306      2.56614254      7.28009605
  O     -1.36048765      4.21719738      4.39773178
  H     -1.95201905     -0.67781240     -0.06105421
  H      0.47539511      1.14460196      7.53618792
  O      1.20351803      3.43199492      3.72321464
  H     -1.16767351     -0.50572568     -1.38127086
  H     -2.84292020     -2.42350778      6.56483736
  O      1.97880241      3.04742162      1.07430950
  H     -1.62850956     -2.21850874      3.45437740
  H     -3.34741718     -1.00337548      6.25706122
  O      0.16810743     -2.69716287      3.54954745
  H     -2.94356142     -2.04039918      4.27158075
  H     -0.90924796      0.94894309      3.66524734
  O     -1.40980934     -3.21216620      7.55689949
  H     -4.11363765     -1.89142093      0.60259219
  H      0.41608110      1.77431428      3.62438135
  O     -0.26095011     -0.61505112      7.36085712
  H     -3.03453556     -1.76763841      1.68846159
  H      2.14866369      2.46858983      6.41781050
  O     -0.30742442     -4.61234358      5.47707833
  H     -2.84666453      2.22656770      2.71792728
  H      3.49433675      3.22738021      6.37695235
  O      0.75042543      2.05644456      7.38103471
  H     -3.63601371      3.26377197      1.88640019
  H      3.66254626      0.36558638      3.66439492
  O     -3.43726568     -1.92665307      5.98903473
  H     -1.87541536      3.95030135      3.62872046
  H      3.57966330      1.12141151      5.01342470
  O      0.04768328      0.88422071      3.57159985
  H     -0.43315282      4.06618414      4.16312822
  H     -0.81909194      1.54769300      0.08320957
  O      2.88217678      2.73613411      5.83510745
  H      1.60425090      3.39963512      2.84496000
  H     -1.31350783      2.68563455      1.00099650
  O      3.76815255      0.26053421      4.62216461
  H      1.88430444      3.25901058      4.38704414
  H     -2.40796799      1.67359874      6.74760202
  O     -0.58316492      2.41603182      0.43117994
  H      1.06924054      2.82351834      0.80604049
  H     -1.75042900      0.27539246      6.79714203
  O     -2.54896532      0.74702831      6.51633508
  H      2.33316709      3.61519532      0.39526480
  H      2.29934653     -0.63617499      5.09504535
  O      1.36759143     -0.87433169      5.20009928
  H      0.63742961     -2.17165003      4.21687286
  H      0.87369053     -0.22061902      4.68026277
          69
 Energy    -248.41833344246135     
  O     14.26559957     13.64622328    -14.47988090
  H     14.89599253     13.99640991    -15.12181559
  H     18.75523719     10.66188173    -14.78777856
  O     17.43708415      6.66587993    -13.72862997
  H     13.83866388     12.90662047    -14.93053318
  H     15.99446710      8.98861724    -19.60939261
  O     18.77127437     11.02209930    -11.18975519
  H     17.44014602      6.95023643    -14.64937586
  H     15.03486640      9.06224647    -18.39683934
  O     18.18267368     13.79847061    -14.30939785
  H     16.61779988      6.16872474    -13.61329987
  H     16.23593507     11.08316076    -12.90330703
  O     14.85576577      5.42740375    -13.45447557
  H     19.18818028     11.30070449    -12.01292972
  H     16.68285808      9.61483250    -12.51103609
  O     15.04101432      9.95616772     -9.50973623
  H     18.58742582     10.07754244    -11.29130494
  H     14.52779626     11.31179768    -16.23644609
  O     14.20877245      6.74463500    -11.18673021
  H     17.68661181     14.03150028    -15.10142150
  H     13.58588999     10.65694673    -15.18454692
  O     13.48343389      8.92838888    -17.61421386
  H     17.51228671     13.53264532    -13.66151844
  H     17.34893903      8.06359739    -10.87947751
  O     16.28145776      7.57330457     -9.43766655
  H     14.67935909      4.49945588    -13.32535817
  H     17.76431562      7.78959010    -12.36005044
  O     17.01803227      7.90411063    -16.32612751
  H     14.58984815      5.88088732    -12.63450486
  H     11.97092863      9.51334881    -11.19887951
  O     14.39183274      7.24569161    -15.52961536
  H     14.29914091      9.89230215    -10.12387127
  H     13.10151171      9.37353770    -12.24280133
  O     17.99240150     10.21823123    -15.17447625
  H     15.50709275     10.78077117     -9.69167736
  H     16.08296207     12.89416943    -11.71629491
  O     15.96154710      9.17766657    -18.67578731
  H     13.67776740      7.54924830    -11.18824435
  H     15.36652911     13.17918631    -13.11666191
  O     16.17645063     10.14653953    -13.13921208
  H     14.92363357      6.90281707    -10.55742969
  H     19.34171854     12.56153249    -13.99068697
  O     13.60970351     11.26870407    -15.93506945
  H     13.30911916      9.74906663    -17.13646580
  H     20.78582883     12.01022702    -13.88595440
  O     17.78568982      8.44798099    -11.64919447
  H     13.61570078      8.24703267    -16.94068307
  H     16.95668520     12.79131262     -9.25786416
  O     12.89767919      9.30824324    -11.29440282
  H     15.85166543      8.44687682     -9.37191623
  H     17.44366536     11.84667677    -10.38225060
  O     16.16428908     12.85238970    -12.67463364
  H     16.51782339      7.31126865     -8.55247342
  H     16.21011247     10.76301266    -17.67899710
  O     19.87007579     11.77258708    -13.76852892
  H     17.46937525      8.66707017    -15.93485247
  H     16.93383909     11.08991745    -16.35257925
  O     16.65218389     12.25614112     -9.98608925
  H     16.77195604      8.18465822    -17.21554604
  H     16.26792302     14.65960454    -17.26571224
  O     16.28289922     11.42858272    -16.98451209
  H     15.30254018      7.46491463    -15.77509875
  H     16.31344327     13.20557726    -16.74673561
  O     16.32608905     14.13710311    -16.46970001
  H     14.44989908      6.52675391    -14.88766061
  H     13.84493810      8.59067401    -14.42974496
  O     13.72586321      9.37971628    -13.88572999
  H     17.33200908     10.15419884    -14.46680890
  H     14.61634119      9.65341957    -13.60652685
          69
 Energy    -248.41830735572552     
  O     16.72551688      7.08194154    -16.15787659
  H     17.45772541      6.55680048    -16.50491365
  H     18.82026036      5.39448345    -11.80415115
  O     20.29519662      8.01621037    -10.10976146
  H     16.13547374      6.45975660    -15.70458065
  H     14.72230728      9.35482662    -17.27745177
  O     15.05293752     10.39621516    -10.91071518
  H     21.08545928      8.26996936     -9.64128777
  H     15.49981982      8.34807480    -16.40071328
  O     18.72948259      5.27048611    -16.81882873
  H     19.76161020      8.82571268    -10.21931290
  H     17.44996726      7.75690361    -14.56176907
  O     12.51851228      8.29688079    -12.44968547
  H     14.29596748     10.74411463    -11.39418110
  H     17.02949781      7.37700754    -13.12588869
  O     18.24844721      6.28874392     -9.08894734
  H     15.81336977     10.45154506    -11.50845165
  H     12.09060537      7.18614543    -15.60724985
  O     14.55960862      7.69041706    -10.55508269
  H     19.29588723      5.15073604    -16.03477759
  H     13.46328166      7.89552902    -15.57772400
  O     19.86880548      6.70606352    -12.53525383
  H     19.27289072      5.08353936    -17.57947939
  H     15.97180556     10.32250074     -9.26626030
  O     15.92252736      7.29248090     -8.14766079
  H     13.11446966      7.92630505    -11.78573817
  H     16.39265233      9.17496179     -8.33373181
  O     15.96210850      6.14830872    -12.33502882
  H     12.68445696      7.83342362    -13.27811908
  H     18.64237063      1.79378739    -13.35614095
  O     20.14960287      4.80349461    -14.56628173
  H     18.96244795      6.88642049     -9.34248473
  H     17.89460608      2.92748664    -14.09692162
  O     18.18670516      4.75364970    -11.44705461
  H     18.21206903      5.61316237     -9.77775314
  H     12.08288052     11.45670819    -12.47684947
  O     14.72362653      8.93316489    -16.42072050
  H     14.74711206      8.63183572    -10.68847651
  H     12.67590134     10.03013024    -12.58638306
  O     17.63760124      7.93489800    -13.63305222
  H     14.90322484      7.47374285     -9.67891772
  H     18.07117483     10.19417537     -9.69016811
  O     12.90531204      7.25199122    -15.11323905
  H     20.14093866      7.17247440    -11.73450762
  H     18.30678654     10.44304784    -11.20114173
  O     16.61800745     10.07662438     -8.58993548
  H     19.17403886      7.23697587    -12.95153209
  H     17.38973877      9.63339998    -13.04040794
  O     18.52034758      2.73917192    -13.37506125
  H     15.75588889      6.92415296     -7.28435798
  H     16.52621820     10.86405754    -13.38663123
  O     12.88882541     10.97838717    -12.65106147
  H     16.76858403      6.91836082     -8.45335701
  H     14.17519421      5.86726740    -14.89286963
  O     18.74462066     10.17325818    -10.38604194
  H     16.64866715      5.61230553    -11.91634659
  H     15.30215513      5.59461631    -13.86255629
  O     17.14886869     10.51789638    -12.73096620
  H     15.47660229      6.63829481    -11.65769413
  H     16.14959000      4.00163379    -15.24708835
  O     15.00634573      5.39665974    -14.76611326
  H     19.74901561      4.03993193    -14.13365715
  H     17.47274048      3.98579526    -16.04111469
  O     16.92005590      3.45606026    -15.45426347
  H     20.21615203      5.48972061    -13.88839533
  H     14.28533329     11.12217286    -13.93318333
  O     15.07956549     11.09211852    -14.48261005
  H     18.26615654      3.96226555    -11.99302401
  H     14.94580358     10.37166525    -15.10723650
          69
 Energy    -248.41820899812774     
  O     12.66425107     10.91985348    -16.06981034
  H     13.19673491     11.62453029    -15.68460802
  H     16.68347343      5.85845511    -14.64747753
  O     16.32324591      6.38506187    -13.00331162
  H     13.24891154     10.52017973    -16.72645553
  H     20.84632364      8.03407761    -13.32075607
  O     16.92703238     10.48863559    -11.06417280
  H     16.91407257      6.78091450    -12.34757790
  H     19.56574823      8.15606508    -14.17383692
  O     17.69225834     11.05687320    -14.92629015
  H     15.41722071      6.46813201    -12.67218380
  H     15.05251919     11.49006512    -16.10903150
  O     14.77249025      7.50369648    -16.34215442
  H     16.56484533     10.45227585    -10.16966451
  H     16.10830729     12.08942991    -15.20164626
  O     13.29523460      9.09582352     -9.24759342
  H     16.20860620     10.77140969    -11.64532631
  H     15.52300356      8.58111775    -15.01240007
  O     13.76215258      6.82146568    -12.06531997
  H     18.29863072     11.21268576    -14.19034338
  H     16.23067462      8.11971537    -13.73140345
  O     14.84927012     10.96544752    -12.89593374
  H     17.16168690     10.28345830    -14.68235037
  H     11.71744861      9.90642471    -14.98478989
  O     17.93372496      9.99491033    -17.40798062
  H     15.44742842      6.82154955    -16.24889374
  H     10.30649162      9.45891941    -14.54246043
  O     14.03588924      6.31445995     -9.32980688
  H     13.99720242      7.22199332    -15.83138936
  H     16.36271092      8.26073077     -8.71829243
  O     18.86629004      7.77952682    -15.75097729
  H     13.39001795      8.13690516     -9.19591809
  H     17.12835770      7.40462358     -9.74347967
  O     16.86539345      5.73174315    -15.59545029
  H     12.97449628      9.28540678    -10.13949660
  H     12.98965488      6.68655882    -13.80290580
  O     19.93926253      8.32856409    -13.29233516
  H     13.45441097      7.73872521    -12.04122840
  H     12.10492930      7.64966268    -14.61863077
  O     15.17177589     12.16855941    -15.42867654
  H     13.78255071      6.51822455    -11.14884345
  H     19.57178017     10.16978922    -12.81738736
  O     15.99669851      8.90576233    -14.23627473
  H     14.82955363     11.61039074    -13.61153508
  H     18.52972305     10.96632440    -11.99907553
  O     11.23520095      9.33177313    -14.36540600
  H     15.18977654     10.15893896    -13.31882582
  H     17.56494405      8.79338091    -11.29660630
  O     16.52478048      7.34887843     -8.99188318
  H     18.52780340     10.45244305    -17.99832933
  H     18.70121500      7.97498506    -11.96228177
  O     12.68749839      6.88412229    -14.69835724
  H     17.94617057     10.48344278    -16.56549357
  H     15.67572203     10.59614223     -7.76762047
  O     19.22677983     11.05824538    -12.66240070
  H     14.95580019      6.60401873     -9.19137609
  H     14.82242055      9.79764866     -8.78329755
  O     17.93328447      7.90130370    -11.38148981
  H     13.87634000      5.59897048     -8.72061998
  H     14.87532677      9.09182043    -17.14843185
  O     15.73072500     10.07180778     -8.56190399
  H     18.56963026      8.43939946    -16.38746699
  H     15.98524423     10.05755729    -17.57510759
  O     15.04191667     10.01888216    -17.37944323
  H     18.22383307      7.06035801    -15.78473191
  H     12.11779641      9.42689212    -12.71472939
  O     12.74874677      9.44077821    -11.98491621
  H     16.96577548      4.79346149    -15.73449695
  H     13.44006580     10.07064158    -12.23590222
          69
 Energy    -248.41815398619309     
  O     12.37846062     11.10710157    -15.47689105
  H     13.03394407     11.80721496    -15.38471284
  H     14.45321798      5.86901962    -15.78506438
  O     15.68188138      6.82733270    -13.00876592
  H     12.84170756     10.37371722    -15.90650006
  H     17.17796743     11.24191305    -16.05087633
  O     16.68695471     11.39124590    -10.74046314
  H     15.63963642      7.69700804    -13.44033742
  H     15.85226302     12.01620147    -16.20845674
  O     18.07166862     10.39678816    -14.69149642
  H     16.59048410      6.72102281    -12.70625159
  H     15.01915701      9.18153069    -15.03286039
  O     12.67324800      6.52483323    -15.98644067
  H     16.94608870     10.46021306    -10.63131271
  H     16.42692382      9.62390952    -14.48394016
  O     14.44386239     10.55645947     -9.09491615
  H     16.02111820     11.42819709    -11.44267021
  H      9.98971687     10.39498513    -13.56399634
  O     13.58823131      7.47839494    -11.33899866
  H     18.61481672      9.60116172    -14.70558342
  H     11.40469222     10.50480142    -14.17997396
  O     14.72836042     11.34877247    -12.72256437
  H     18.35202490     10.93976795    -13.93977162
  H     17.71333479      8.12531490    -11.01858309
  O     17.40573710      7.29795207    -16.61066567
  H     12.35644441      6.79236305    -15.10441524
  H     16.60645883      8.29144188     -9.94215224
  O     14.98582374      7.89355844     -8.92953188
  H     11.97156716      6.01993566    -16.38798541
  H     12.33881433      7.31042380    -12.75935023
  O     19.28745611      7.83324799    -14.79741460
  H     15.20147365     10.99431780     -9.50239417
  H     11.44422349      8.29177243    -13.54612743
  O     15.38336164      5.72417778    -15.57771601
  H     13.73412539     10.57068138     -9.75110259
  H     19.38908989     12.54090164    -12.16607531
  O     16.52157888     11.52863353    -16.70212146
  H     13.96162258      7.49071363    -10.44917789
  H     18.08037352     11.81456795    -11.82053717
  O     15.56676583      9.25560920    -14.24034030
  H     14.31062007      7.19343840    -11.91860455
  H     18.98824635      6.16938806    -12.07147789
  O     10.89321417     10.11347544    -13.44892974
  H     13.96352083     11.05209426    -12.21282995
  H     18.75063634      7.23267092    -13.16419486
  O     17.31558881      8.75238900    -10.40586696
  H     15.02432867     10.57573653    -13.22864262
  H     16.18351642      9.47985016    -19.10706439
  O     11.82870165      7.40723326    -13.57295034
  H     16.99775676      7.94672913    -17.19343003
  H     16.24385278     10.14837416    -17.71166880
  O     18.74756682     11.92815509    -12.51560519
  H     16.70194342      6.69826551    -16.32009722
  H     12.99951602      9.22581977    -11.32579836
  O     18.41464716      6.89053984    -12.32085981
  H     14.79007236      8.84726981     -8.88617670
  H     11.97077185     10.20873314    -11.93495927
  O     16.06744449      9.30952381    -18.17645624
  H     14.95240718      7.56723523     -8.03445230
  H     14.66767077     12.41614467    -14.14260144
  O     12.69140925     10.14400940    -11.29586834
  H     18.61557891      7.60234192    -15.46775682
  H     14.63737491     13.79826430    -14.83079217
  O     14.59810742     12.86091668    -15.00470870
  H     20.13874597      7.70524044    -15.20738095
  H     14.53881192      9.00530860    -17.17829118
  O     13.88489098      8.99615020    -16.46823542
  H     15.47137100      5.95249394    -14.64226865
  H     13.48542619      8.11799443    -16.42169838
          69
 Ord_Energy   -248.417908    
 O    7.24890089       4.13449478       3.03010798    
 H    6.99092340       4.90380001       2.49653268    
 H    8.07074356       3.79600096       2.65552855    
 O    6.47468233       5.68063688      -1.10787797    
 H    5.99611759       4.86470032      -1.31772804    
 H    5.99376106       6.39415073      -1.54516757    
 O    1.86777222       4.12340021       3.26387024    
 H    2.51498985       3.71123910       3.85753608    
 H    1.62885070       4.99388123       3.60373855    
 O    5.14182949       3.30842280      -1.79070163    
 H    4.60944843       2.95005465      -1.06549466    
 H    5.87160492       2.69246268      -1.92580152    
 O    3.22462106       5.29259777      -2.54020500    
 H    2.42651320       5.13203096      -2.01646900    
 H    3.79458737       4.52241325      -2.43255210    
 O   0.951053619       2.76587367       1.06121838    
 H   0.208000720       2.21133709       1.28392804    
 H    1.20533442       3.23368859       1.87574804    
 O    1.76632416       6.98053932      0.999263287    
 H    2.49797392       6.34158897       1.00461674    
 H    1.48905146       7.05338812       1.91918337    
 O    1.03168523       4.95313883     -0.856016934    
 H   0.929885626       4.19275856     -0.272814602    
 H    1.07296920       5.72470236     -0.276512861    
 O    7.47264814       1.73159194      -1.84396029    
 H    7.91466808       1.28868604      -2.56361270    
 H    8.00212288       2.52149725      -1.63035917    
 O    6.36263132       6.21087646       1.57769644    
 H    6.43307018       6.09882641      0.618051410    
 H    6.19134665       7.13893318       1.77651918    
 O    5.47485781       8.74493790       2.28452158    
 H    4.86342239       8.79311085       1.52578545    
 H    5.85633898       9.61192703       2.38831139    
 O    4.68116903       7.52356195      -2.25531125    
 H    4.71269226       7.98581648      -3.08851147    
 H    4.09468699       6.75393200      -2.38481140    
 O    5.52041101       1.94175315       2.44693279    
 H    6.06723642       2.72871590       2.58251047    
 H    4.89170790       2.13180423       1.73600459    
 O    3.95755553       3.02628088       4.59194946    
 H    4.45506382       2.49011469       3.96079826    
 H    4.57276154       3.68966341       4.92545652    
 O    3.78287053       5.13110638       1.41536748    
 H    3.32795382       4.84705019       2.21942616    
 H    4.63163424       5.52777910       1.64114094    
 O    8.76028728       3.98942161      -1.04071295    
 H    8.11035824       4.70415592      -1.05157053    
 H    9.02201557       3.85196090     -0.122529969    
 O    3.81737542       8.70049763      0.178892851    
 H    2.99794197       8.23765278      0.399519771    
 H    4.10646439       8.35268497     -0.673695624    
 O    7.75116014       1.02159595      0.931424081    
 H    7.53381348       1.12301922      -3.23823001E-03
 H    6.93287802       1.14197135       1.43058836    
 O    3.68806481       2.61591530      0.427092999    
 H    2.75152206       2.41122150      0.525604010    
 H    3.76373267       3.55581546      0.664391577    
 O    1.48145854       6.83893251       3.86718249    
 H   0.989068568       7.34025669       4.51116514    
 H    2.42613506       6.99794531       4.04812050    
 O    5.87410545       5.07655144       5.19589233    
 H    6.44579220       4.72635698       4.49164915    
 H    6.40014410       5.09489679       5.99196005    
 O    4.13506651       7.16069317       4.25551271    
 H    4.62194777       7.73250866       3.64968801    
 H    4.75472069       6.50230503       4.59100485    
 O    9.39860439       3.05241156       1.62061357    
 H    10.2766666       2.75288701       1.84026730    
 H    8.87900734       2.25949860       1.39112389    
          69
 Energy    -248.41757143058067     
  O     12.04937156     12.66641977    -13.62267426
  H     11.51568431     12.01721815    -14.11815523
  H     17.88538833      6.47477744    -12.94279290
  O     18.71812694      9.90479209    -12.79119529
  H     11.49064676     13.42125986    -13.45987489
  H     18.14874801     12.05582365    -14.74846350
  O     15.94495792     10.51876188    -12.32483119
  H     18.94518386     10.35751355    -13.61019587
  H     19.56204933     12.13722173    -15.37091030
  O     10.75005336     10.71706137    -14.93639968
  H     17.82997622     10.21112443    -12.57023102
  H     12.15230896     11.02051993    -17.79102150
  O     13.66453093      7.62269032    -15.08818910
  H     15.74045723     10.24918905    -13.23708474
  H     10.77762678     10.62413660    -18.38189236
  O     14.68907597      6.38145648    -12.86454154
  H     15.94952214      9.71193609    -11.78901161
  H     16.02257172      9.74238686    -15.47045655
  O     18.66430859      7.50076262    -11.53960083
  H     10.92810528     10.56065651    -15.87228362
  H     14.71790781      9.05501427    -14.96215738
  O     14.34610062     12.42939975    -15.25702591
  H     10.94306138      9.89632027    -14.46531578
  H     13.91200110     12.23075051    -17.05418945
  O     18.16643950      7.10981872    -16.10059092
  H     13.49189135      7.73260477    -16.03469739
  H     14.33541628     11.30303054    -18.21682331
  O     15.95103949      8.07451052    -11.03814776
  H     12.90820666      7.96876081    -14.59341910
  H     14.31232737      8.42191310    -10.15001903
  O     15.52344348      9.87859101    -18.63674630
  H     14.41179284      6.74295394    -13.72042742
  H     13.17731114      9.40476197    -10.49335797
  O     17.40633229      6.08545363    -13.68437642
  H     13.87556480      6.23420663    -12.36830411
  H     16.53609538     12.24633791    -13.16177559
  O     18.85820728     11.52967135    -15.15904847
  H     18.79721423      8.34166250    -12.01320957
  H     15.97886681     12.86814244    -14.44648328
  O     11.38934546     10.42508078    -17.67769417
  H     19.46169934      7.33214568    -11.04543601
  H     14.08932829     10.76582398    -12.03257109
  O     15.27263381      9.83981659    -14.86984500
  H     13.57023482     12.59380066    -14.70702186
  H     12.74912219     11.46101857    -12.38051870
  O     13.64236440     11.90848989    -17.92486494
  H     14.57831320     11.49359130    -15.15064499
  H     17.98648529     10.28281615    -16.22012374
  O     13.36828259      8.58561318    -10.01862025
  H     17.88519566      6.74386637    -15.24547375
  H     17.71695964      8.75272612    -16.46530245
  O     16.78460846     12.79220362    -13.91643876
  H     18.47051915      6.36456207    -16.61197762
  H     12.26707749      9.33543071    -12.84532228
  O     13.13215045     10.70069146    -11.92490313
  H     15.52822028      7.49765549    -11.69253747
  H     11.74821585      7.88439698    -12.72818595
  O     17.39339242      9.65057556    -16.64360524
  H     16.88364044      7.82863953    -11.02009195
  H     12.57075481      7.24712773    -10.82635984
  O     11.78530025      8.64367253    -13.32218909
  H     15.93913457      9.75705152    -19.48705915
  H     11.67087338      5.98912533    -10.90124330
  O     12.21607352      6.56729075    -11.42764731
  H     16.22867936      9.81042783    -17.97229502
  H     12.56399744      8.93078685    -17.73049448
  O     13.28786921      8.29240690    -17.69900760
  H     16.48358233      6.02499631    -13.40959567
  H     14.05678339      8.74921257    -18.06042504
          69
 Energy    -248.41749046691513     
  O     -1.79745553      4.89000260      4.22742413
  H     -1.31644359      4.58455659      3.44637557
  H     -0.06369460      1.78944698     -2.39460540
  O      0.43348903     -0.01698699      0.58840281
  H     -1.49527629      4.32236223      4.94737189
  H     -4.90640081      5.45305602      4.47363704
  O     -1.35247372     -0.87876607      3.53531517
  H     -0.04563331     -0.84630266      0.68771443
  H     -3.54364118      4.82742624      4.10263111
  O     -4.07049292      1.77616668      0.61544747
  H      0.09122955      0.41875688     -0.20276461
  H     -1.39053605      3.60177222      0.48407391
  O     -2.79345370     -2.37518728     -1.26535254
  H     -2.22720844     -1.18260248      3.81658644
  H     -2.71795091      3.08307795     -0.11078206
  O     -5.45732783      0.06218903      5.35363303
  H     -1.17691767     -1.32077468      2.69523446
  H     -5.45452233      3.68162077      2.77993978
  O     -7.12801326      0.85990667      3.38401582
  H     -3.43790989      1.64711377      1.34044381
  H     -6.37700355      2.44805295      2.60600669
  O     -1.12324868      2.86200754      6.14991776
  H     -4.78187539      2.32311524      0.98227722
  H     -1.26016970      2.79457239      2.41481995
  O     -3.10044971      0.26288769     -1.54860859
  H     -2.95477726     -1.42518381     -1.41140671
  H      0.24560907      3.02205704      2.18020731
  O     -5.35438327     -0.56199395      1.71509954
  H     -2.61362420     -2.76005223     -2.11860601
  H     -3.71271571     -2.67388575      3.53112646
  O     -3.09446928     -4.08454431      2.43113047
  H     -4.83685308      0.79984438      5.44376976
  H     -4.38772828     -1.34932008      3.10591195
  O     -0.54505302      1.46316507     -1.63906538
  H     -4.93861805     -0.68466430      5.02837518
  H      2.52980875      1.73655894      2.14023621
  O     -4.50204309      4.65660512      4.13875272
  H     -8.04238910      0.72174690      3.61569393
  H      1.20806688      1.05570422      1.71488437
  O     -1.85651253      3.44230339     -0.34938406
  H     -6.59671200      0.58732938      4.15387753
  H     -0.20471353      0.25437315      4.46897339
  O     -5.88853701      3.12569085      2.12167451
  H     -0.74518961      2.93595280      7.02199930
  H      0.83965768      1.28355263      4.01028318
  O     -0.61101155      3.46327583      2.14362403
  H     -0.58392470      2.21004829      5.66725606
  H     -4.08590708      3.06043273      4.99151872
  O     -3.95012087     -1.79345187      3.84745239
  H     -2.23100018      0.65788562     -1.69216375
  H     -2.85633237      2.40935717      5.69080941
  O      1.59438141      1.71246485      2.32230906
  H     -3.53082425      0.80306805     -0.87361968
  H     -5.13700524     -2.24890050      0.90379521
  O      0.30409241      1.01994853      4.76827493
  H     -6.07468337     -0.15357881      2.21299443
  H     -4.21117340     -2.88943159     -0.15144950
  O     -3.70375763      2.21659529      5.26760585
  H     -4.91326557      0.15899477      1.25188074
  H     -1.71507136     -2.29944475      0.25772514
  O     -4.80439148     -3.09764450      0.58244789
  H     -3.17306811     -5.02570502      2.55938942
  H     -1.70196220     -3.00558655      1.61264342
  O     -1.24792423     -2.32139603      1.10388098
  H     -3.75773598     -3.83208005      1.76199171
  H     -2.97210799      1.76585823      3.62377852
  O     -2.48990153      1.53906938      2.81873393
  H     -0.96026997      2.23641130     -1.21524543
  H     -2.01970166      0.71421704      2.99479491
          69
 Energy    -248.41746127940439     
  O     11.60257368     10.62446609    -10.92538825
  H     12.37124506     10.90534168    -11.43879165
  H     16.02698277      6.45997577    -17.22973595
  O     13.14515253      7.54112903    -15.14436207
  H     10.91914573     10.40246969    -11.56993798
  H     14.93081869     12.01445579    -15.19249201
  O     17.84026909      9.12211231    -17.11262413
  H     12.64123822      8.35669185    -15.02024724
  H     15.66757478     13.24754679    -14.61156516
  O     12.03376702      9.98611487    -14.52606416
  H     14.04217110      7.73676324    -14.82691694
  H     15.50343537      8.27133430    -13.16323351
  O     16.21881843      5.36156062    -10.82891527
  H     18.64492347      9.46108667    -17.49757643
  H     15.99690232      7.12358379    -14.11764910
  O     12.86539405      6.02553864    -12.78452584
  H     17.76063455      9.52193186    -16.23229106
  H     11.46655236      8.58104190     -8.49788644
  O     15.49677129      9.12955331    -11.54815415
  H     11.18620471      9.87676912    -14.07800291
  H     11.76479482      9.24654715     -9.86326895
  O     15.08758571      9.50148609    -17.88515610
  H     12.65391455     10.31683290    -13.85946675
  H     17.66890781      6.04062253    -11.73326461
  O     14.84063849      4.05057418    -13.03416613
  H     15.78391373      4.77415687    -11.45829058
  H     18.38100266      7.31665931    -12.25124766
  O     17.27442134     10.09532528    -14.57440816
  H     15.51402657      5.93008575    -10.49445132
  H     10.88845565      7.49507458    -10.81424981
  O     14.17590282      6.80170691    -17.58093319
  H     13.44440273      5.25751198    -12.87614026
  H     11.25554004      6.68406521    -12.07358090
  O     16.94554728      6.38856565    -16.93982620
  H     12.89637514      6.50074839    -13.62561790
  H     18.05131775      9.60722206    -12.96467881
  O     15.54942283     12.30892415    -14.49608343
  H     15.09705140      8.41577007    -11.03117873
  H     19.02621136      9.75881743    -11.77539885
  O     15.59213185      8.00061837    -14.08666209
  H     16.45589172      9.11470902    -11.45592289
  H     16.92200766      5.69170539    -15.30409198
  O     11.80447176      8.40627429     -9.37188294
  H     16.03533461      9.41789100    -17.72967852
  H     17.43335763      5.71548757    -13.79665621
  O     18.29990693      6.36848343    -12.39344982
  H     14.74292640      8.60082380    -17.89232310
  H     14.21187953     10.72091497    -16.90017418
  O     10.55248503      7.21255950    -11.67378934
  H     14.88526252      3.12127661    -13.24296983
  H     13.07421306     10.90746275    -15.85442615
  O     18.27639965      9.25782504    -12.08749137
  H     15.50604249      4.49590674    -13.58945600
  H     13.31165510      7.51269992     -9.95307146
  O     16.71045555      5.45550826    -14.38958786
  H     16.64250625      9.36029813    -14.50473151
  H     13.62116812      6.74258585    -11.26199553
  O     13.81463632     11.35286035    -16.28220411
  H     16.75777333     10.91133563    -14.54468612
  H     14.41285592     10.38246843    -12.19183955
  O     14.02423871      7.10082739    -10.45733143
  H     13.71722301      6.99733423    -16.74686787
  H     14.39268844     11.58247724    -13.16729377
  O     13.82781922     11.02494517    -12.62043797
  H     13.56576069      6.30536659    -18.12059287
  H     10.01679420      8.65535881    -12.50214792
  O      9.80877963      9.52631775    -12.88598723
  H     17.32470816      7.26981521    -17.03866512
  H      8.86077899      9.56975758    -12.97500033
          69
 Energy    -248.41731468421503     
  O     12.37234250     11.27591245    -13.33120228
  H     12.41422984     10.70775586    -14.11359221
  H     19.82086550      8.42902237    -16.20444354
  O     15.76747008      6.52239042    -14.09202185
  H     13.10672719     11.89294868    -13.41450939
  H     14.60357360     12.36049152    -14.80570311
  O     18.24722205      9.57354811    -11.87374133
  H     15.21445887      6.02286910    -14.70756120
  H     15.81232177     12.84137928    -14.00311828
  O     17.63585033     12.88111677    -14.62675242
  H     15.62812306      7.46051596    -14.30244220
  H     15.93808677      9.64160784    -15.17670738
  O     11.60392791      6.98777057    -15.32090000
  H     17.36458769      9.97157250    -11.91463615
  H     15.48813280      9.60731613    -13.69112476
  O     15.99517390      8.02994886     -8.71622579
  H     18.41218851      9.30565177    -10.96219819
  H     11.77316660     10.34135389    -12.01746508
  O     14.33946710      6.57159431    -11.71864123
  H     18.05476346     13.68616019    -14.92119870
  H     10.72901275     10.13407709    -10.89265191
  O     15.72746234     10.56111621    -12.16840218
  H     18.34128306     12.31687751    -14.26378087
  H     18.62348040      6.87289847    -10.34974971
  O     16.00022285      5.37464694     -9.81580717
  H     10.70135784      6.79750085    -15.56249759
  H     18.51507162      6.35894930    -11.80133651
  O     16.99722806     10.62351875    -16.27019531
  H     11.62563147      7.04844138    -14.34744420
  H     11.58373777      8.04176706    -12.18333985
  O     13.91045741      5.44218674    -15.82414447
  H     15.90188113      7.09728540     -8.94812437
  H     12.59783540      6.87879562    -12.28658438
  O     19.18125628      8.88566207    -15.66342759
  H     15.30508738      8.49797281     -9.20417681
  H     19.17042459     10.62394967    -13.03731900
  O     14.88709694     12.58420244    -13.90517383
  H     14.81626186      6.05907895    -11.05446374
  H     19.58206195     10.40931818    -14.49814175
  O     15.39759542      9.15552474    -14.54016937
  H     14.85126543      6.51161067    -12.53741485
  H     17.49035401      6.96065321    -13.70790530
  O     11.49069890      9.73754107    -11.30600229
  H     15.33768417     11.31986654    -12.62120029
  H     18.25884672      8.09583285    -12.93940530
  O     18.39733904      6.09839351    -10.88083287
  H     15.08442021     10.17220062    -11.55957031
  H     19.09012220      8.74376832     -8.54804415
  O     11.76786313      7.21739851    -12.64853542
  H     16.05633988      4.51193582     -9.41426265
  H     17.66244355      8.39661786     -9.03865027
  O     19.50120831     11.08924460    -13.81960817
  H     16.86562008      5.55174011    -10.22644038
  H     13.69929458     11.01608932    -16.37854909
  O     18.36792117      7.32230506    -13.51479037
  H     17.22359492     11.42716510    -15.78199170
  H     15.17170883     11.34227988    -16.70953544
  O     18.58869811      8.50276457     -9.32179965
  H     17.76085646     10.03586062    -16.20364005
  H     13.16880283      9.33170682    -10.63975108
  O     14.32042250     11.74624269    -16.50369353
  H     13.84850920      5.05162723    -16.69260932
  H     14.19032094      8.21197152    -10.96939872
  O     14.09054598      9.06926503    -10.52738090
  H     13.09280560      5.94630182    -15.69860081
  H     13.71303448      9.34300129    -15.15497444
  O     12.83250074      9.55233477    -15.50397791
  H     18.92678023      8.26805855    -14.95801671
  H     12.35696774      8.71710638    -15.55810143
          69
 Energy    -248.41712304330292     
  O     15.28540775     10.00855283     -9.63134265
  H     15.70450399     10.87420620     -9.51358727
  H     10.91222905      4.55404817    -12.11089306
  O     17.16819096     12.61295336    -13.51298957
  H     15.80968376      9.55485168    -10.30204023
  H     11.28765964      9.93343462    -10.61862024
  O     11.31449190     11.45175395    -14.34954688
  H     16.65546376     13.21672099    -12.96142607
  H     10.76668134      8.53426374    -10.23936686
  O      9.54869289      9.53621968    -13.14303340
  H     17.69539370     12.08450228    -12.90114565
  H     14.95352176      6.79350414    -10.03002410
  O     13.52702629     12.32126632    -13.02449559
  H     11.77419127     11.02140131    -15.08075114
  H     14.57374918      7.21199304    -11.46109545
  O     15.29772267     11.15708115    -14.87722375
  H     10.69901365     10.80558312    -13.98455618
  H     11.57811805      6.30698178    -10.37659045
  O     16.61019391     12.39977168     -9.81289383
  H      8.61210799      9.71425174    -13.15013983
  H     11.10256396      6.39274270     -8.91410470
  O     16.95256023      8.70888298    -11.63058361
  H      9.82511652      9.51006053    -12.20804312
  H     14.59998420     13.49179942    -12.20212851
  O     14.23201930      4.98844659    -12.93804640
  H     14.17354262     11.91322661    -13.61646205
  H     15.02247260     14.91487864    -11.77641873
  O     18.46807708     11.01172233    -11.52119648
  H     12.66162361     12.16404404    -13.43126009
  H     13.10074056     10.80300778    -17.22591425
  O     13.45513274      8.35784786    -12.40510536
  H     15.49500240     10.23937468    -14.63723420
  H     13.90435284     10.72510060    -15.91136652
  O     11.51190022      5.27616897    -11.93849956
  H     16.02552015     11.70012822    -14.54106468
  H     15.42938471      5.48753959    -15.83173988
  O     10.49785263      9.37249203    -10.63229467
  H     16.15834005     13.01436186    -10.40436462
  H     14.71082150      5.68149485    -14.47681319
  O     15.19978294      6.66874264    -10.95702355
  H     17.34197737     12.03288397    -10.32510651
  H     13.43411071      7.13494825    -15.81982608
  O     11.51559731      6.89860875     -9.61206025
  H     16.58705735      7.88455712    -11.28227757
  H     12.83226639      8.53761091    -16.11435864
  O     15.32176379     14.00963988    -11.80803825
  H     16.63502889      8.74422236    -12.54412824
  H     11.57706337      7.38765286    -14.53284065
  O     13.10712526     10.39896456    -16.36088950
  H     14.72816655      5.39708010    -12.21417829
  H     10.52065209      8.04490699    -13.57196700
  O     14.98491383      6.13665061    -15.29315306
  H     13.31938382      4.96726189    -12.63079210
  H     13.26237217      7.50789186     -8.88457539
  O     12.60582113      7.62011843    -15.91763173
  H     18.00976999     10.15531428    -11.52601190
  H     14.47263475      8.47282926     -8.75825424
  O     11.14693259      7.31674927    -13.66601117
  H     19.39050525     10.82568063    -11.36300256
  H     14.81147102      8.55958129    -13.50973073
  O     14.17385845      7.57175535     -8.57594934
  H     12.65646038      8.02654171    -12.83083766
  H     15.58502403      7.75944186    -14.57656523
  O     15.61232636      8.57260327    -14.05973591
  H     13.21220335      9.13542919    -11.88673756
  H     13.13899088     11.28636772    -11.57568940
  O     12.92891403     10.63524709    -10.89380079
  H     11.31148872      5.96812462    -12.59460622
  H     13.72709987     10.49169551    -10.36622294
          69
 Energy    -248.41711558723711     
  O     17.78775473     12.13031865    -17.94962146
  H     17.60637652     11.39562570    -18.52983205
  H     19.31179699     13.96692224    -16.17279231
  O     18.63051649     17.76460374    -15.24327218
  H     17.47514822     11.87361108    -17.06406701
  H     14.33956823     13.18711131    -11.09356347
  O     20.66339233     11.89919619    -14.60547139
  H     17.80527137     17.29925847    -15.04087045
  H     15.78794194     13.02916486    -11.61543219
  O     16.34688371     15.96536650    -11.89614582
  H     18.66902268     18.51635208    -14.63917088
  H     21.47821517     16.19919606    -15.12818804
  O     14.39386421     15.12637581    -16.19997500
  H     20.74246992     12.64919751    -13.99440586
  H     20.16065090     16.90939555    -14.69712840
  O     17.37090620     12.35011438    -11.41783961
  H     20.56520440     12.29127096    -15.47722767
  H     17.92202864     15.20924691    -11.30422282
  O     14.73936798     12.84720948    -14.51771951
  H     15.75563600     15.21543577    -11.75926108
  H     19.18634472     15.49311192    -10.46348067
  O     22.07987821     15.36123504    -16.62092538
  H     16.35181437     16.13006067    -12.85046516
  H     16.12684608     11.95452910    -15.06956110
  O     17.61965622     18.29184186    -10.94031683
  H     13.62214716     15.46374153    -16.64579906
  H     17.42133882     11.14316216    -14.67615222
  O     20.36492474     14.15509795    -13.06340650
  H     15.05968225     14.94179263    -16.88897855
  H     20.78069000     17.84430516    -11.42316801
  O     16.35509409     14.65282000    -17.97561674
  H     17.85240529     11.77404524    -12.02174618
  H     21.17476489     17.65727159    -12.91387203
  O     19.87878989     13.69522750    -16.91184086
  H     17.96893446     13.06201090    -11.15545752
  H     18.99209115     20.60228500    -13.18205578
  O     14.95205911     13.51317697    -11.74794478
  H     14.72916888     13.12836141    -13.59491965
  H     19.68055618     19.26437390    -12.81858083
  O     20.97219657     16.50236710    -14.36204066
  H     14.52601961     13.62165192    -15.05298765
  H     19.02907783     17.60548836    -10.17246731
  O     18.72732098     14.80038341    -10.95448707
  H     21.41224514     14.68260002    -16.80432563
  H     20.01969080     17.44819474     -8.99207731
  O     16.98748849     11.63268979    -15.38484886
  H     22.48413164     15.57098321    -17.45964621
  H     18.88009498      9.73353883    -13.07931265
  O     21.02554454     18.32031297    -12.22534535
  H     17.04875865     17.57101691    -11.23915877
  H     19.39540960     11.00573269    -13.79212768
  O     18.85812492     19.65825009    -13.16332271
  H     17.87640571     18.79096719    -11.72498858
  H     17.74582937     13.26307895    -14.88417960
  O     19.83265206     17.13969016     -9.87468354
  H     19.88360576     14.36761762    -12.25295067
  H     18.85562184     14.05545549    -14.10088712
  O     18.62421497     10.61279757    -13.34627784
  H     20.65654353     14.98989123    -13.45849599
  H     19.23922996     15.61466644    -17.55401295
  O     18.16793627     14.12462008    -14.77621886
  H     17.06923801     15.30603556    -17.94053197
  H     18.66431101     16.91337963    -16.95959369
  O     18.58978887     16.30655274    -17.70761812
  H     16.78007858     13.79439549    -18.07007039
  H     15.65620721     15.99030227    -15.14381049
  O     16.44193228     16.20861618    -14.63020146
  H     19.32053238     13.13151889    -17.46113479
  H     17.04535972     15.45103564    -14.71625627
          69
 Energy    -248.41709277298895     
  O     16.46042146     11.12038297    -15.94896663
  H     16.08584120     10.29322535    -16.28293657
  H     13.73237707      6.00104453    -16.13775226
  O     13.68319542      6.33363423    -13.02843712
  H     17.29715972     10.89751460    -15.52414704
  H     17.94784712      3.17023412    -12.56359454
  O     16.87031932      7.00873657    -10.07318936
  H     13.31667755      6.18553307    -13.91293255
  H     18.05530787      4.69929155    -12.34712149
  O     18.33104676      7.79323572    -14.02784654
  H     13.21600365      7.07390311    -12.61986664
  H     19.51002585     11.13137475    -14.22862984
  O     12.35430580      8.88166280    -16.33082442
  H     16.30947632      6.32022259    -10.46331308
  H     18.15008974     10.87482107    -13.54016339
  O     14.47734043      9.29208248     -8.52400626
  H     16.68943188      7.01414301     -9.12582928
  H     15.02117686      7.45922796    -13.59275264
  O     12.84791511      8.66450779    -11.69812060
  H     17.37386303      7.87760303    -13.89634755
  H     15.41992469      8.49080145    -14.68391447
  O     15.60095398      9.16402101    -11.22925401
  H     18.64613246      8.69302137    -14.16830654
  H     15.33629112     11.80820857    -14.81114152
  O     15.44714519      5.98519121    -16.98897339
  H     12.38151467      9.38304312    -15.49502460
  H     14.55327887     13.03500473    -14.28625651
  O     12.12495465      7.78368796     -9.15659021
  H     11.64266907      9.24670146    -16.84891879
  H     14.25722723      5.30634464     -9.65393231
  O     17.34960220      5.40482597    -15.16693193
  H     14.84389658      9.49087483     -9.39275193
  H     14.50990966      6.01698361     -8.30529193
  O     12.92401202      6.16675162    -15.63611197
  H     13.60062590      8.91790223     -8.68420659
  H     12.60184924      9.75414783    -13.19610385
  O     17.46869592      3.98845620    -12.66555420
  H     13.76764511      8.87884306    -11.48976556
  H     13.32405949     10.88818375    -13.97569436
  O     18.73398106     10.57780202    -14.26086811
  H     12.44043458      8.39206504    -10.86615327
  H     18.34362186      6.52027875    -11.12417443
  O     15.61647883      8.19557913    -13.78690607
  H     15.63671827      8.96164541    -12.17837404
  H     18.83850138      6.76664331    -12.56647071
  O     14.75924852     12.12369282    -14.09194954
  H     16.10002591      8.45952641    -10.78985669
  H     15.94895879      4.54623935    -11.70500202
  O     13.81300297      5.67810508     -8.88057429
  H     16.12426638      5.73220968    -16.33606928
  H     14.67811163      5.42281926    -11.88353647
  O     12.60965038     10.24156706    -14.02942349
  H     15.64250697      5.49956174    -17.78587554
  H     15.37818544      7.98493029     -7.73708271
  O     18.88516870      6.14185493    -11.82948686
  H     12.66096850      6.97409255     -9.07397191
  H     16.13722754      7.29839540     -6.57479074
  O     15.27639420      5.04175343    -11.22241788
  H     11.31015928      7.62583574     -8.68794711
  H     16.55733354     10.71446037    -11.78915015
  O     15.83767302      7.16874490     -7.47022117
  H     17.84098605      6.19237481    -14.89798653
  H     16.15805408     11.72287619    -12.87480623
  O     16.91738609     11.38394503    -12.38251503
  H     17.31883349      4.83392266    -14.39103324
  H     15.32801192      7.82623394    -16.77735480
  O     15.14300391      8.73612136    -16.51107437
  H     12.61600455      7.04049980    -15.90827506
  H     14.18380922      8.84923719    -16.55640496
          69
 Ord_Energy   -248.416916    
 O   -4.27715874     -0.838591218      -2.42474246    
 H   -4.95361567     -0.939715385      -1.74249232    
 H   -4.27397633       9.29396302E-02  -2.67376113    
 O   -1.36286068       1.79529881       4.69909668    
 H   -2.14679694       1.34715974       4.35480881    
 H   -1.67963314       2.45031643       5.33293915    
 O   -4.64709854       2.97686100       4.42289925    
 H   -4.06187677       3.28287148       5.12577391    
 H   -4.38953590       2.06834698       4.21631670    
 O   -7.08202171       2.67476892       2.99564004    
 H   -7.01405621       1.71951711       2.84777308    
 H   -6.41180706       2.87766647       3.65924001    
 O    1.05070615       1.18488109       1.29947484    
 H   0.363299072      0.872541845      0.686015308    
 H    1.88241887       1.12429631      0.836322784    
 O    8.37880895E-02 -0.326053858       3.54104543    
 H  -0.243945166      0.393022418       4.09795523    
 H   0.510444343      0.100637250       2.78904009    
 O   -3.14399886       1.48900318       1.12599409    
 H   -3.96360421       1.53855550      0.614870191    
 H   -2.71745324       2.34925747       1.02341378    
 O   -1.78692353       2.64707136      -1.80766964    
 H   -1.39745438       1.84597945      -1.43601954    
 H   -1.84200406       3.26953554      -1.06932402    
 O   -1.84039998       5.37963676       3.92995667    
 H   -1.14484239       4.89653587       3.46755981    
 H   -2.60103655       5.39137316       3.33476186    
 O   -3.62830949      0.472572982       3.58223677    
 H   -3.23059726     -0.405838430       3.62919736    
 H   -3.46391869      0.807278991       2.68346810    
 O   -1.01709223      0.357579947     -0.276033670    
 H   -1.22820926     -0.460330933     -0.743033409    
 H   -1.80300307      0.601133704      0.235659927    
 O   -6.50218058       4.16400099      0.844392955    
 H   -7.23530626       4.71749783      0.590030134    
 H   -6.79800463       3.63896036       1.61296284    
 O   -6.44197989      -1.53448002E-03   2.65312266    
 H   -5.54751396      -3.96303795E-02   3.00474787    
 H   -6.40467453     -0.422406346       1.78531682    
 O   -2.55959082       3.92096782       6.10438728    
 H   -2.49531412       4.38864565       6.93224525    
 H   -2.28053331       4.53893518       5.40437794    
 O   -1.97554505      -1.93195462      -1.52574587    
 H   -2.78853321      -1.56685388      -1.92177773    
 H   -1.71328306      -2.67080379      -2.06730199    
 O   -4.18313885       2.00524759      -2.88906717    
 H   -3.30242085       2.26489782      -2.56365442    
 H   -4.30865288       2.44112635      -3.72740340    
 O   -4.11832714       4.75017071       2.28619504    
 H   -4.28247261       4.12133217       3.00384665    
 H   -4.91088772       4.72612000       1.73676002    
 O  -0.216622785       3.34164000       2.64679599    
 H   0.352279216       2.71968532       2.17640519    
 H  -0.620180666       2.82897425       3.36180902    
 O   -5.40647793       1.88084733     -0.385821879    
 H   -5.81827545       2.68994832      -5.94528615E-02
 H   -5.08542633       2.03703523      -1.28388560    
 O   -5.87207508     -0.858212709      -2.79193204E-02
 H   -5.05020952      -1.22335219      0.341331631    
 H   -5.76845312      0.100898080     -0.116308622    
 O   -2.13196993      -1.88892889       3.39692736    
 H   -1.28449798      -1.41057146       3.40919399    
 H   -2.02933884      -2.64922500       3.96355653    
 O   -3.51235747      -1.95269680      0.898157656    
 H   -2.98892355      -2.00329518       1.70525837    
 H   -2.90340400      -2.08315945      0.162203357    
 O   -2.01317954       3.99846768      0.643839300    
 H   -1.30206358       3.86194825       1.28601837    
 H   -2.75984764       4.37731552       1.12879825    
          69
 Energy    -248.41676422983682     
  O      2.89971016      9.11469699      3.79971862
  H      3.14802108      9.36795176      4.68513088
  H     -0.75657831      9.53839345      2.72555750
  O     -0.52817178     11.53933855     -1.43470199
  H      2.14985623      9.68139232      3.54804271
  H      0.51394866      8.58409039     -0.12732459
  O     -2.08614695      6.89811516     -1.64126900
  H     -1.28313734     11.98595614     -1.80943657
  H      2.01565615      9.00434176     -0.07929257
  O      1.72509864      6.99037670      2.44642480
  H     -0.85574233     10.70469893     -1.05343550
  H     -1.01658976      5.54113984      1.14754340
  O      3.85759532      9.94434699     -2.83473113
  H     -2.88318203      6.69034967     -2.12059620
  H     -1.34716520      5.73139118     -0.35725539
  O      2.02299014      6.26316661     -1.83977413
  H     -1.38660932      7.04983069     -2.30538248
  H      3.49227519     10.36826228     -1.09866232
  O      3.37398785      5.02898273      1.33260418
  H      1.61218480      7.42069381      1.58353706
  H      3.83659345     10.07456833      0.40855040
  O      0.74262846     10.63171474      3.05982313
  H      2.16752134      7.62809084      3.01949759
  H      1.21716765      3.03884269     -0.70252096
  O      5.40197611      6.65604972      0.54920812
  H      4.47467011     10.27073076     -3.48366713
  H      0.55376096      4.31808116     -0.13859057
  O     -0.86611059      6.29458710      2.89436515
  H      4.13781489      9.03752473     -2.61170540
  H     -1.44324371      9.15224105      0.64593516
  O      1.00665209      9.95102607     -3.33248428
  H      1.80400111      6.93441661     -1.17497323
  H     -1.63951026      8.42685131     -0.73662620
  O     -1.50629164      9.03013800      2.38802077
  H      1.86870281      5.40402745     -1.43087621
  H     -0.26904454     13.34702908      5.02741215
  O      1.40989343      8.25948491      0.02747550
  H      2.77628199      4.54223084      0.75286177
  H      0.79745078     13.43605987      3.92264744
  O     -0.90597904      5.14945414      0.27354029
  H      2.81126426      5.63682166      1.83175856
  H      4.23647441      9.12920427      2.40142806
  O      3.17107967     10.44411140     -0.19206393
  H      0.57921508     11.33804871      3.70232519
  H      5.01293350      8.32595850      1.31894339
  O      1.40569279      3.92218466     -0.39804468
  H      0.86623693     11.06375633      2.20369091
  H      1.35442568     13.52290986      1.75299128
  O     -1.23891387      9.18916261     -0.30148334
  H      4.69986495      6.03308174      0.80629184
  H      2.14068041     14.77689137      2.16715550
  O      0.45239014     12.86535681      4.63032353
  H      6.23040448      6.20521660      0.69229048
  H      0.25141193      8.29800247     -3.41340643
  O      4.77772149      9.21715957      1.60826347
  H     -0.97269086      5.76260685      3.67897272
  H      0.68767196      6.89161570     -2.96256553
  O      1.41091816     14.22005065      2.42665006
  H      0.08452067      6.48591780      2.80949582
  H      0.55579667     12.01317390     -0.02230993
  O     -0.06236592      7.38723763     -3.31705655
  H      1.95986308      9.99007113     -3.19128176
  H      1.98227730     11.57909902      0.39147607
  O      1.20247446     12.07139563      0.69138234
  H      0.60763311     10.58349242     -2.72532256
  H      4.90712081      7.21989612     -1.21306279
  O      4.51495460      7.44911229     -2.06311951
  H     -1.36961709      8.11337215      2.65579553
  H      3.69075623      6.94353075     -2.11269039
          69
 Energy    -248.41646228348873     
  O     14.99081658     12.28756240    -12.26006978
  H     15.86420232     11.88187765    -12.21110982
  H     12.79544010      6.44324152    -15.85775100
  O     18.47132153      8.73583477     -8.76057137
  H     14.72963057     12.44419417    -11.34369458
  H     11.88382957     10.42506648     -8.97267209
  O     16.95759753      6.58745772    -11.99439798
  H     17.77609907      9.40513204     -8.74800360
  H     11.67561611     10.81629185    -10.46199630
  O     14.02790440      4.36469876    -10.85522291
  H     18.75353773      8.65962077     -9.68028398
  H     14.71731283      9.15105148    -14.54686489
  O     17.93839631      6.18890105     -7.90904963
  H     16.60778427      6.43426402    -11.10628612
  H     13.56739885     10.11669693    -14.87263132
  O     17.27189924     10.68000245    -11.66810779
  H     16.37648610      6.09701851    -12.59672521
  H     18.35458144      7.70861619    -11.75180204
  O     14.31501029     12.51197188     -9.50632315
  H     14.13391853      3.45904970    -10.57597961
  H     19.81411024      8.15220863    -11.98823257
  O     10.28874223      7.28503551     -9.14897403
  H     14.64918990      4.89525828    -10.32688293
  H     16.50270532      5.95388391     -8.91489406
  O     16.20393636     10.44697226     -9.09746309
  H     18.16928346      7.10599194     -8.13733310
  H     15.24667043      6.81542267     -9.21571634
  O     13.60052371      8.51760240    -11.45856555
  H     18.45576958      5.96971037     -7.13954169
  H     11.10826734      9.33082297    -12.61723801
  O     12.00750003      6.28877416    -11.04008377
  H     18.00660361     10.05604544    -11.71154613
  H     11.85716521     10.68729969    -12.85600022
  O     12.93203267      6.79841962    -14.98264468
  H     16.91902580     10.61315123    -10.76770756
  H     11.46130770      7.37464085    -13.91654038
  O     11.99409835     11.14075274     -9.60905817
  H     13.46509542     12.03578749     -9.52886179
  H     11.02793408      7.04458537    -12.49545025
  O     13.96953805      9.28576025    -15.14843139
  H     14.15634435     13.33710399     -9.05565715
  H     11.27066012      8.35474334     -8.18779975
  O     18.99866280      8.41228761    -11.56678053
  H     10.87363242      6.85565979     -9.79447045
  H     11.56537345      9.03245130     -6.82928656
  O     15.73866538      6.03432148     -9.50458966
  H      9.44918177      7.39693977     -9.58892544
  H     14.50159494      4.98104344    -12.64719513
  O     11.45566934     10.12372051    -12.18134520
  H     15.63396407     11.22561118     -9.12533289
  H     14.23468810      5.85761735    -13.89681194
  O     10.82798398      7.63306455    -13.23446945
  H     15.61233617      9.69456541     -8.95106769
  H     13.70692669     11.91910325    -13.38395440
  O     11.86983683      8.97063526     -7.73086038
  H     14.32215881      8.62896633    -12.08835229
  H     12.74017215     12.48350682    -14.44950639
  O     14.92935127      5.41444379    -13.39538323
  H     12.89983097      9.13668867    -11.70128736
  H     14.10563143      8.48081398     -9.80104135
  O     12.96073605     11.69100001    -13.96696927
  H     12.60033791      7.03192665    -11.23253953
  H     13.58816999      8.53097618     -8.34323305
  O     14.37639363      8.37086480     -8.87418365
  H     12.57151582      5.51197140    -10.95605159
  H     16.26413177      9.57270848    -12.69168114
  O     15.79038021      8.85469634    -13.13105150
  H     13.29034223      7.69641844    -15.10270744
  H     16.20025399      8.03338272    -12.83166862
          69
 Ord_Energy   -248.416214    
 O   -7.00334454     -0.856971025      -2.70614266    
 H   -6.93161821     -0.438118279      -3.57228255    
 H   -6.92791080     -0.140952721      -2.06393218    
 O   -2.84976006      -4.27084303      -1.07845187    
 H   -3.66640902      -3.81179070      -1.31156468    
 H   -2.33795595      -4.32373333      -1.89522600    
 O   -1.14928257      -2.49530554      0.143016607    
 H  -0.906019032      -2.08658695     -0.698221922    
 H   -1.73437119      -3.22871470      -9.37949866E-02
 O   -1.36214137      -3.96510720      -3.56442881    
 H   -2.19722795      -3.73677802      -4.01059914    
 H  -0.963639677      -4.66912222      -4.06894016    
 O   -2.10846329       1.64264059       9.59807485E-02
 H   -2.35574484      0.839555681      0.576727569    
 H   -1.36264288       1.41566205     -0.477963775    
 O  -0.192011535       2.14387417       2.15373397    
 H  -0.901768744       2.20983601       1.50197232    
 H   0.583681822       1.85058713       1.65913534    
 O   -2.59117866       1.91142631      -5.73090839    
 H   -2.12685680       2.35636640      -6.43489218    
 H   -2.12043190       2.12670636      -4.90582371    
 O   -6.55300283      0.532052815      -5.16112518    
 H   -7.22281265      0.788085163      -5.78977299    
 H   -6.10912561       1.34854400      -4.86936569    
 O    4.85781282E-02   1.03893554      -1.58652294    
 H   -7.71890283E-02  0.142011538      -1.92929614    
 H   0.754146039       1.00239289     -0.928548932    
 O   -3.77336597      -3.21094322      -4.55097628    
 H   -4.33181190      -3.13065457      -3.76901841    
 H   -3.82325363      -2.35767365      -5.00214100    
 O   -3.26987195     -0.394012392      -2.68926406    
 H   -3.50927925     -0.423690438      -3.62611437    
 H   -3.52923965      0.470345587      -2.35325933    
 O   -3.95596218     -0.528180242      -5.39948893    
 H   -3.42756486      0.241601855      -5.64915371    
 H   -4.88262796     -0.252744138      -5.41976976    
 O   0.815167487      -1.37395382       1.80914474    
 H   0.282000363      -1.04892027       2.54475260    
 H   0.220369592      -1.90952718       1.26663744    
 O   -5.26494265     -0.965255618      0.503273547    
 H   -5.17526865      -1.65717506     -0.160682768    
 H   -4.41072464     -0.895589709      0.950878203    
 O   -4.92926311      -2.49341679      -1.96168590    
 H   -5.77468061      -2.09744191      -2.22362256    
 H   -4.26970959      -1.79943776      -2.11886621    
 O   -4.06201029       2.17720318      -1.71831501    
 H   -3.42681766       2.10870600     -0.988249004    
 H   -4.92185783       1.90764129      -1.36417675    
 O   -2.69257951     -0.677325785       1.52409506    
 H   -2.23230433     -0.506203651       2.35451674    
 H   -2.17874002      -1.34988749       1.05234146    
 O  -0.754309356      -1.46001685      -2.42677021    
 H  -0.789701223      -2.31453443      -2.87394643    
 H   -1.63634944      -1.06703043      -2.52614141    
 O   -1.56029165       2.57167292      -3.31660485    
 H   -2.32656646       2.68163991      -2.74518180    
 H  -0.893481553       2.11624312      -2.78498244    
 O    1.82138896      0.821597636      0.575382590    
 H    1.52648020      -6.09959988E-03  0.996789217    
 H    2.77112937      0.848336577      0.654353142    
 O  -0.949987411      -1.84541903E-02   3.63681030    
 H  -0.672168851      0.813946962       3.21446657    
 H  -0.968639076      0.139106274       4.57660532    
 O   -6.42636442       1.14217925     -0.687722266    
 H   -7.11756516       1.51626933     -0.147683993    
 H   -6.03827333      0.404373854     -0.180632174    
 O   -5.02719164       2.63115025      -4.37350941    
 H   -4.73842001       2.60974836      -3.45289493    
 H   -4.22754097       2.53269792      -4.90568304    
          69
 Energy    -248.41602245236879     
  O     12.19847466     11.33062832    -10.84334307
  H     12.73718750     11.48285677    -11.62699054
  H     15.38841167     10.32174308    -16.07211908
  O     12.70756111      7.28167066    -13.64323427
  H     11.36435577     10.95557954    -11.15531616
  H     14.42831592      7.85607163    -13.59756997
  O     18.22938566     10.03941312    -12.56119770
  H     12.83120254      6.72974497    -12.85951799
  H     15.51922998      8.71759353    -12.89213381
  O     11.43475362      9.65999125    -13.94398369
  H     12.73679383      6.75540431    -14.45157719
  H     12.55226691     10.14318632     -7.90938185
  O     16.86816607      6.48175857    -10.18180922
  H     18.51901415      9.85042115    -13.46040936
  H     12.56042149     10.32716950     -9.44625650
  O     13.29653138      6.18976691    -11.19189881
  H     18.55470819      9.30341420    -12.02528390
  H     18.27169331      6.17381754    -13.87199937
  O     15.63038963     10.11119606    -11.74654770
  H     11.84843877      8.79373974    -13.79448561
  H     19.15038441      6.94853811    -12.86411887
  O     15.48000773      4.43901272    -11.68288467
  H     10.76406227      9.75785185    -13.25898543
  H     11.69747228      7.11773217    -10.52290091
  O     16.42780218      8.89639002    -15.94256469
  H     16.45492562      5.72356610    -10.60861056
  H     11.58685155      8.34029545     -9.58832209
  O     12.86490486      6.53588943    -16.34810146
  H     16.15161217      7.09642332     -9.97121836
  H     19.13787175      8.15513927    -14.71670381
  O     15.69664745      6.14851157    -16.54482857
  H     13.93130518      5.47305236    -11.30977085
  H     19.93747990      9.17619860    -15.55990230
  O     14.73436952     11.04097541    -16.05015846
  H     13.79283623      6.92135962    -10.79316109
  H     16.15659519      6.44304081    -13.67751928
  O     15.37678500      8.03287712    -13.55548789
  H     15.02502970     10.62180434    -12.30047586
  H     16.26844885      5.53416860    -14.90339552
  O     12.66080371      9.67291872     -8.73127190
  H     16.54547567     10.26159432    -12.02994491
  H     19.75393927      7.66054985    -10.48187998
  O     19.08492895      6.68763395    -13.79225904
  H     15.63915179      3.50020323    -11.62827714
  H     18.29186022      7.25795810    -10.77679195
  O     11.08964538      7.80035865    -10.21715065
  H     15.84898388      4.73696283    -12.53243308
  H     13.25617328      9.86709486    -16.47518179
  O     19.09234383      9.03023125    -15.14404845
  H     17.37711187      8.98863555    -15.78995097
  H     11.97982847      9.46816180    -15.72426086
  O     16.47474577      5.57002410    -13.95899547
  H     16.04828812      8.58208959    -15.10619147
  H     15.07401290      8.94591673    -10.54881835
  O     19.07428035      7.70175208    -11.14946261
  H     12.24944592      6.11012042    -16.93948514
  H     14.09036616      8.69485168     -9.38446827
  O     12.52245791      9.24229602    -16.49267350
  H     12.75664295      7.49566320    -16.47836015
  H     14.09132266     11.33075839    -14.24890996
  O     14.72853194      8.25747818     -9.95964959
  H     14.73314661      6.21222374    -16.54168042
  H     12.87528654     10.71099687    -13.55499558
  O     13.66973918     11.23904966    -13.38610569
  H     16.01212169      7.06041942    -16.56318372
  H     10.25480738      9.02847870    -11.15803336
  O      9.89336419      9.80373076    -11.62403413
  H     15.03866013     11.70712020    -16.66161354
  H      8.97467773      9.86950068    -11.37878688
          69
 Ord_Energy   -248.415955    
 O   -1.99033070      -5.78113937       3.08412981    
 H   -2.54933453      -5.02707958       2.83216619    
 H   -2.07277536      -5.85584450       4.04174852    
 O   -4.50611258      -9.54565704E-02   1.52740669    
 H   -3.74835515     -0.380798966       2.06077123    
 H   -4.79153490      0.756295621       1.87970555    
 O   -6.07234812      -6.57274818       2.87691283    
 H   -5.29059362      -6.80757380       2.34358382    
 H   -6.64072895      -7.33785582       2.88523626    
 O   -2.55627489      -1.14303565       3.14666247    
 H   -2.93734956      -1.03286815       4.03072071    
 H   -1.62319231      -1.35234177       3.27110958    
 O   -5.27864885      -3.81461525      -1.24434018    
 H   -5.75269985      -3.94216394     -0.411272973    
 H   -4.62874174      -4.52653790      -1.27057457    
 O   -2.59193587      -5.54544067       5.85453892    
 H   -2.30181837      -6.01652241       6.63060236    
 H   -2.24282789      -4.63740683       5.92849493    
 O   -7.35943413       8.68919957E-03   6.12500763    
 H   -7.86716127     -0.137759522       6.91900349    
 H   -6.98728418     -0.851920664       5.86888313    
 O   -4.90000582       1.42679989       5.56845999    
 H   -5.02595568       1.75515044       4.67006493    
 H   -5.76269865       1.09508300       5.84842396    
 O   -3.83838701      -7.06268311       1.43736231    
 H   -3.65654755      -6.64183378      0.588569343    
 H   -3.10678983      -6.80430269       2.01496100    
 O   -1.70089304      -3.00851727       5.92866898    
 H   -2.35182929      -2.29673982       5.99059057    
 H   -1.05477643      -2.72652030       5.27001858    
 O   -3.08040333      -5.69136047     -0.955471754    
 H   -2.71314716      -6.17739534      -1.69111645    
 H   -2.47090745      -4.95784521     -0.779151797    
 O   -3.51532125      -1.77445364     -0.544326723    
 H   -3.91181350      -1.12629414       4.75688390E-02
 H   -4.22397089      -2.35652685     -0.855858624    
 O   -3.70779133      -3.65597725       2.65918374    
 H   -3.30057645      -2.78954291       2.77995634    
 H   -4.17399025      -3.88600731       3.47536922    
 O   -3.69253325      -1.03078902       5.65503073    
 H   -3.95101166      -9.97132808E-02   5.72029638    
 H   -4.51547289      -1.51788712       5.51463175    
 O   -5.10516024      -4.79169464       4.84290314    
 H   -5.46897697      -5.47172880       4.25984526    
 H   -4.31617785      -5.15003586       5.27019358    
 O   -1.43383169      -3.45721054     -0.515809059    
 H   -2.15712500      -2.80476022     -0.464849144    
 H  -0.831772149      -3.13501263      -1.18251455    
 O   -7.85003805      0.737869620       3.40232182    
 H   -7.85782385      0.567048371       4.35223818    
 H   -7.63246155     -0.108611293       2.98675537    
 O  -0.119694233      -4.05857182       1.93414128    
 H  -0.556192338      -3.84669900       1.09965158    
 H  -0.616077840      -4.79304457       2.31996250    
 O   -6.15615606      -2.25346255       5.09771442    
 H   -5.91515827      -3.18824267       5.13284349    
 H   -6.33540630      -2.03848958       4.16962910    
 O   -5.59243107       2.15762949       2.85220146    
 H   -6.45495272       1.73313320       3.00985360    
 H   -5.77387190       3.04098058       2.54177785    
 O   -6.65878248      -1.61776280       2.44262242    
 H   -5.91511822      -1.12209380       2.06979084    
 H   -6.66680956      -2.48117471       2.01074219    
 O   -7.26064015E-03  -2.10783243       3.79038811    
 H   0.869091630      -1.73727345       3.84613705    
 H    2.51518004E-02  -2.81445312       3.12064338    
 O   -6.13239527      -4.13211536       1.40518844    
 H   -6.34006262      -4.97399998       1.82395792    
 H   -5.22176981      -3.92982388       1.67474282    
          69
 Energy    -248.41587279461879     
  O     -3.51630112      1.54441340      1.15394757
  H     -3.65941687      1.07052873      1.99182324
  H     -1.00518686     -2.39009456     -1.87004203
  O     -3.82956209     -2.52456639      7.20583558
  H     -3.85622316      2.42694459      1.27650694
  H     -2.07410751     -4.84385058      0.24037710
  O     -1.24600328     -0.51006444      4.28204447
  H     -2.92965125     -2.55261156      6.83796526
  H     -2.08099617     -6.03876459     -0.74123460
  O     -3.79895548      0.02676804      3.39397234
  H     -3.73740780     -2.50407975      8.15493318
  H     -1.07583435     -1.03005245      1.21108342
  O      1.18379941     -2.85587916      5.23905896
  H     -1.34915729     -1.23986359      4.90877984
  H     -1.08099631     -1.43711200      2.70185297
  O     -4.64369450     -4.57330145      5.36425682
  H     -0.30531749     -0.29252384      4.24376986
  H     -2.10001681     -3.14232035      1.56318145
  O     -1.45802141     -2.76829673      5.88689739
  H     -4.39702425     -0.18849175      4.12492963
  H     -3.62379631     -3.37069723      1.59851418
  O      0.61858425     -5.31369178      3.84778981
  H     -2.89520251     -0.08331814      3.72128023
  H      0.86924841     -2.68976648     -0.45160579
  O     -6.52784932     -3.21629388      3.96689159
  H      1.41384543     -2.10182596      4.68441078
  H      0.55134646     -2.35264098      1.01623165
  O     -1.07069787      0.47951626      0.17739272
  H      1.12409029     -3.63117755      4.66608889
  H     -5.57324222     -2.52733719      2.53941928
  O      0.83905391     -5.21366763      1.17254377
  H     -4.42071848     -3.98338014      6.09517842
  H     -4.48776169     -1.42862328      2.42804509
  O     -0.32783300     -3.06750461     -1.75372480
  H     -3.80762259     -4.79810826      4.93555676
  H      1.57686393     -0.12376250      2.94657464
  O     -1.54601470     -5.31465406     -0.42664373
  H     -1.76245848     -3.43869816      5.25783493
  H      2.18410336      0.27238680      4.30806925
  O     -1.03263720     -1.79124391      1.80627213
  H     -0.48980246     -2.79268612      5.85618381
  H      1.73173881     -0.76413684      0.82816894
  O     -2.78067339     -3.83345234      1.51317589
  H      1.10137611     -6.07188280      4.16738455
  H      0.77343418      0.43558372      0.81367402
  O      1.28389290     -2.55600154      0.41530215
  H      0.72676405     -5.30245369      2.87995148
  H     -2.43419753     -0.63210843     -2.86702087
  O     -4.92219165     -2.14230857      1.93973903
  H     -7.37779623     -3.64084554      4.04342682
  H     -3.04235193     -0.93192082     -1.47767313
  O      1.51554937     -0.27630667      3.90528938
  H     -5.88744247     -3.77856331      4.43914646
  H     -5.92199235     -1.65492706      4.94987159
  O      1.59560205      0.11633708      1.20587244
  H     -1.34194877      0.07123041     -0.65575343
  H     -4.89427162     -1.41247039      6.06882400
  O     -2.21404991     -0.93400947     -1.98903962
  H     -1.83826959      0.96205659      0.51031681
  H     -2.38820983     -4.50230377      3.17233663
  O     -5.39650311     -0.96642636      5.37540406
  H      1.18565162     -4.35526763      0.89314958
  H     -1.21857061     -5.06653158      4.02100379
  O     -2.13496881     -4.76404493      4.06807120
  H      0.08447742     -5.38860821      0.59873391
  H     -4.70943161     -1.27869392      0.27416642
  O     -4.41268914     -0.67752787     -0.42058989
  H     -0.78269408     -3.85620384     -1.43344841
  H     -4.22701989      0.15808314      0.02619284
          69
 Energy    -248.41575552709372     
  O     10.10980696      5.98679508    -12.75081548
  H     10.45407057      6.85920406    -12.97669769
  H     15.26744996      5.85020682    -10.33600554
  O     13.69560881      4.89071156     -8.05949517
  H     10.52905070      5.37491569    -13.36740179
  H     16.05689606      6.90833698    -13.79432747
  O     16.76734412      8.30729048    -12.92374201
  H     13.95620279      4.65764496     -7.17168606
  H     16.25313493      5.39077117    -14.07816313
  O     17.50227802      4.13664577    -13.40335506
  H     14.49760289      5.20074245     -8.51040224
  H     13.72773673      4.91621967    -11.91733800
  O     16.17860036      8.52799216     -8.94662329
  H     16.18717197      8.72475841    -12.27143069
  H     14.70718044      5.89653821    -12.60055722
  O     12.16711414     10.72639186    -14.59216421
  H     16.78970609      8.90523549    -13.68266481
  H      9.94279873      5.51553528    -11.07825512
  O     11.72027800      6.90235628     -8.75127971
  H     17.70089549      4.78072336    -12.69846217
  H      8.95281661      5.11294563     -9.96314159
  O     13.10939340      6.64777095    -15.14572885
  H     18.32676306      3.93983671    -13.84009971
  H     16.89612902     10.39031395    -15.81241542
  O     15.61254087      2.31082707    -12.38619589
  H     15.80467352      9.03526557     -9.68522029
  H     15.56072527      9.65865438    -15.54129216
  O     14.62269606     11.37042167    -13.25540603
  H     16.52934780      9.17045221     -8.33577022
  H     12.40240534      7.76309244    -10.16654292
  O     17.86367673      6.04767082    -11.53921692
  H     11.87558373      9.91331027    -14.14463063
  H     13.27795224      7.18015893    -11.30233775
  O     15.81315811      5.87694930     -9.53512974
  H     11.38208368     11.23534311    -14.77618340
  H     14.86712854     10.33899049    -11.80808086
  O     15.62809075      6.12019902    -14.16126579
  H     11.02275292      6.36805691     -9.15385541
  H     14.19990102      9.12487771    -11.08580497
  O     14.19916849      5.74881585    -11.79354572
  H     12.37450200      6.27586422     -8.41956461
  H     13.33751694      9.75912874    -15.75066827
  O      9.88037635      5.23340004    -10.14885161
  H     12.59437700      5.83720071    -15.05190061
  H     13.66501746      8.26899231    -15.96684502
  O     16.36967584     10.00047718    -15.11972100
  H     14.01384628      6.43087427    -14.87457435
  H     12.62057939      3.84016309     -9.23292982
  O     12.82833683      7.98580008    -11.00548590
  H     16.27859933      2.91114091    -12.75123841
  H     11.25352160      3.97061370     -9.93615379
  O     15.02544066      9.62301125    -11.17703765
  H     16.04041048      1.85562489    -11.66368293
  H     12.15952631      7.74728084    -14.01259205
  O     13.99257996      9.16170013    -16.13377010
  H     13.76065313     11.25691444    -13.67490434
  H     12.00626497      8.27629450    -12.54982297
  O     12.04627253      3.42039237     -9.88481956
  H     15.26959504     11.05496409    -13.89785789
  H     12.14284608      3.88957837    -13.77032086
  O     11.62174295      8.31291754    -13.43916459
  H     17.63877843      6.90185390    -11.93067527
  H     11.30754296      3.60865808    -15.04155762
  O     11.64504973      4.31191826    -14.49275734
  H     17.31774953      5.95583823    -10.74884120
  H     12.65527840      3.19587841    -11.51120032
  O     13.02934699      3.27846463    -12.40262710
  H     15.92577836      6.80570797     -9.27558283
  H     13.89707055      2.85109581    -12.41737483
          69
 Ord_Energy   -248.415726    
 O   -3.68161917       1.66501319      0.589703262    
 H   -4.55305243       1.71913135      0.999409854    
 H   -3.09101725       2.17552280       1.15918612    
 O   -6.07741022       1.84082663       2.18750048    
 H   -6.72009516       2.54469228       2.17142224    
 H   -5.47602797       2.02701283       2.93199563    
 O  -0.550722539      -6.47594547       3.26401138    
 H  -0.244858116      -7.26892185       2.83027506    
 H  -0.935426593      -5.92378521       2.56706214    
 O    1.56699133      -2.87387919       4.43530798    
 H    1.10175359      -3.63126016       4.83698130    
 H    2.47353244      -2.92217636       4.72504997    
 O   -6.19666004     -0.946610272       2.47839952    
 H   -5.24728489      -1.06705320       2.63896585    
 H   -6.31821442      -1.81765005E-03   2.33110356    
 O   -3.45155811      -3.25356412     -0.286549270    
 H   -3.50815654      -3.31618333      -1.23728883    
 H   -3.13855171      -2.35407257      -8.74247178E-02
 O   -4.22587967       2.32212877       4.10183382    
 H   -3.46289659       2.65502048       3.61147261    
 H   -3.88025546       1.60929489       4.65512943    
 O  -0.616656780      -1.22359347       5.11084747    
 H   0.231489941      -1.64144170       4.91730022    
 H   -1.18410444      -1.94726062       5.41340017    
 O   -3.51579428      -1.31211603       2.96528459    
 H   -3.04345512      -1.04261708       2.16809750    
 H   -3.27608681     -0.726645529       3.69314981    
 O   0.254028201     -0.560185790      0.620262265    
 H   0.968996942     -0.383804500       1.60776600E-02
 H   0.413380712      -1.44388640       1.00276208    
 O   -2.26183152      -3.34095550       5.99143791    
 H   -2.64684057      -3.67168427       5.16454554    
 H   -2.98910999      -2.91045642       6.45435190    
 O    8.73146281E-02  -4.86615133       5.46451950    
 H  -0.729604840      -4.47779512       5.80104637    
 H  -0.157907426      -5.49362707       4.76944494    
 O   -2.52128506     -0.781845629      0.397321254    
 H   -1.56457746     -0.655730605      0.390087783    
 H   -2.94600415       8.90918896E-02  0.356324792    
 O   -1.97883272       2.92225122       2.49834657    
 H   -1.39684129       3.67690849       2.48384476    
 H   -1.43073666       2.14981079       2.72747064    
 O   -3.44692302      -3.96990013       3.61662984    
 H   -3.52636695      -3.03163838       3.37988949    
 H   -4.32971954      -4.35693884       3.58731270    
 O   0.559883237      -2.93899369       1.77383769    
 H  -0.194665894      -3.54000831       1.73818612    
 H   0.921449840      -2.97886539       2.66729498    
 O   -3.07233286      0.113620363       5.37331009    
 H   -2.14949679     -0.165124997       5.43265152    
 H   -3.58836079     -0.486737490       5.92820883    
 O   -1.74049675      -4.58706570       1.58213210    
 H   -2.30897498      -4.42502308       2.35205317    
 H   -2.24632645      -4.26692581      0.827432632    
 O   -6.10210180      -4.81783772       3.38365054    
 H   -6.13194370      -4.37485218       2.51525688    
 H   -6.57316065      -5.64092350       3.29291201    
 O   -4.54031515      -1.81999815       6.79698324    
 H   -4.99530363      -1.71693945       7.62863827    
 H   -5.21858501      -2.04094291       6.13366413    
 O   -5.99901009      -3.38550663       1.09811056    
 H   -6.17658472      -2.49292111       1.42754889    
 H   -5.16176319      -3.34841967      0.621706188    
 O  -0.504825115      0.722790301       3.02253056    
 H  -0.517842531       4.98391092E-02   3.71269345    
 H  -0.163380310      0.299113363       2.22538161    
 O   -6.38591051      -2.40606928       4.89301109    
 H   -6.39382982      -3.29290318       4.51347876    
 H   -6.47553921      -1.80811822       4.13928175    
          69
 Energy    -248.41572160744229     
  O     16.87855862      7.38977756    -10.51895658
  H     16.93138869      6.67462784     -9.87379515
  H     13.39661186     10.14448083    -15.52320913
  O     10.87746912      9.06633612    -12.01797272
  H     15.95769057      7.68055466    -10.51735158
  H     11.13182776      7.23459075    -14.90819763
  O     12.87425280      3.80455908    -11.75423005
  H     10.98903185      8.72534331    -12.91806219
  H     11.86402630      8.60244993    -15.15645635
  O     13.35940608      5.38393205    -16.31091478
  H     10.57087072      8.32085086    -11.48971720
  H     14.31465336      5.40934899    -13.65269361
  O     10.15417270      6.69389497    -10.61023230
  H     13.44150337      3.94716909    -12.52578830
  H     15.40953887      4.30296742    -13.77303780
  O     16.97678210      5.13717715     -8.76566809
  H     13.29790205      3.12872481    -11.21156130
  H     13.06539150      7.38710990    -13.72527847
  O     13.05886899     10.56768681    -11.61048231
  H     13.77801784      4.92902957    -15.56770769
  H     14.61926738      7.56360715    -13.79964049
  O     17.19202060      4.12189062    -13.40040763
  H     12.41486915      5.38589782    -16.11484341
  H     14.30381801      2.84102188     -9.30819422
  O     14.67796111      7.62884481    -17.07162765
  H     11.01539367      6.41790365    -10.25307361
  H     14.16709528      1.32262650     -9.58046950
  O     14.32040553      4.24629711     -8.26862765
  H      9.51286770      6.55015841     -9.91865752
  H     14.08354793      7.65604076    -11.67460958
  O     10.64176057      5.53046575    -15.44328156
  H     17.73358032      4.99086727     -8.20379296
  H     13.85011435      8.95587242    -10.88631307
  O     12.88093732      9.65762654    -16.17748265
  H     17.01762289      4.46449743     -9.46991846
  H     11.26876394      4.38231570    -12.46518525
  O     11.50825876      8.01082584    -14.47762141
  H     12.23574596     10.06108859    -11.74614447
  H     10.26987132      5.51054186    -12.14730116
  O     14.46832649      4.48128336    -13.89300189
  H     12.84784002     11.27367218    -11.00509754
  H     12.79933780      5.21882275    -10.56954394
  O     13.90397207      7.11137092    -13.33195980
  H     17.36981937      5.07670355    -13.30262346
  H     13.21809635      6.65993995    -10.11373484
  O     14.32020481      2.16122206    -10.00701466
  H     17.88685401      3.76627417    -13.94737687
  H     16.04862907      2.78554238    -10.62020408
  O     14.15140234      8.04731178    -10.78798507
  H     14.20028919      6.81736656    -16.82178456
  H     16.97525755      3.50568159    -11.64032345
  O     10.51834518      4.87364545    -12.82639927
  H     15.01235360      7.48757054    -17.95326332
  H     14.80048642     11.70092693    -14.04531903
  O     12.67417263      5.89254074     -9.88437762
  H     13.71084156      4.88672008     -8.65793491
  H     13.98209592     10.71193906    -13.19199001
  O     16.88536475      3.25624447    -10.71241466
  H     15.20108836      4.64023840     -8.32258082
  H     17.11728235      7.40444622    -13.68263665
  O     14.46205592     10.80807704    -14.02927386
  H     10.57442114      5.24031905    -14.51495058
  H     17.38167188      7.02145086    -12.19975196
  O     17.54657615      6.75331428    -13.11688856
  H      9.85108440      5.22989356    -15.88273453
  H     15.53722329      9.33123301    -14.48977497
  O     15.91597731      8.46720912    -14.69673229
  H     13.48890570      9.03090891    -16.59154782
  H     15.60175695      8.21116811    -15.57518367
          69
 Energy    -248.41560561352341     
  O      0.14809970     -5.17356249     -2.58006416
  H      0.56388247     -4.29984869     -2.51276714
  H     -2.65661003     -5.29653724     -6.93736351
  O     -2.11000642      1.28226492     -5.81292568
  H      0.01274344     -5.45430247     -1.66813469
  H     -3.52741755     -0.83737139     -0.26432359
  O      0.48656148     -4.80897008     -5.38876202
  H     -2.80840463      0.68301505     -5.51381620
  H     -2.52603494      0.31104163     -0.11746144
  O     -2.54625284     -2.16656534     -6.50491082
  H     -1.36632796      0.71421026     -6.03840806
  H     -0.86515786     -0.38819943     -2.93168541
  O     -0.17513455      1.19173475     -2.21151940
  H     -0.41637504     -4.88710244     -5.72104577
  H     -1.79326445     -1.62370787     -3.24089707
  O     -3.22632842     -5.38254323     -0.64179885
  H      0.46383556     -5.09369067     -4.46738309
  H     -2.09611384      2.27902904     -4.28403301
  O     -2.53068131     -5.13108141     -3.42000342
  H     -1.72092724     -1.67104703     -6.51506778
  H     -3.03326552      2.29852580     -3.06373696
  O      1.90734880     -2.69252551     -6.26366801
  H     -3.18362162     -1.60919528     -6.04106676
  H     -4.36355551      0.17877685     -4.10770184
  O      2.99415436     -1.49607705     -3.88288912
  H     -0.87070108      1.77369006     -2.56212543
  H     -3.91329891     -1.27682299     -4.14787310
  O     -0.04480059     -0.73128545     -5.91323795
  H      0.55245105      1.20016217     -2.84287063
  H     -3.37169204     -3.60765416     -0.25294485
  O     -4.59198904      1.30984246     -2.58203346
  H     -3.14910063     -5.45049095     -1.60221150
  H     -2.21914149     -2.59290339     -0.08407662
  O     -2.24627248     -4.84976755     -6.20159384
  H     -2.33457718     -5.51786201     -0.29770772
  H      1.06941574      0.50991698     -5.02581323
  O     -3.40969940      0.10569288     -0.44106602
  H     -2.53515025     -5.16889932     -4.38438620
  H      1.90351043      1.79985850     -4.89922594
  O     -0.92256709     -1.23524964     -3.39168347
  H     -1.60177452     -5.15270401     -3.14797377
  H     -3.38789966     -2.48098761     -2.01580552
  O     -2.16353170      2.58515757     -3.36700046
  H      1.42973590     -3.47997121     -5.94527922
  H     -3.11474960     -3.43231791     -3.20235968
  O     -4.06342284     -0.50712199     -4.71756703
  H      2.43853882     -2.97519774     -7.00345600
  H     -0.40343623     -4.31629040      0.30958301
  O     -3.17532373     -2.66055908     -0.20717933
  H      2.74863339     -1.93812845     -4.70607728
  H     -0.05870200     -5.65557751      0.99295549
  O      1.63512911      1.01615445     -4.42347096
  H      2.71095342     -0.58029158     -3.98716262
  H      0.36686400     -2.17028484     -2.66783975
  O     -3.32918662     -2.51676812     -2.97901995
  H     -0.39446183     -0.97296884     -5.03745452
  H      1.90478530     -2.29947201     -2.66754466
  O     -0.46479562     -5.28042185      0.21492469
  H      0.62472406     -1.38852620     -6.14553899
  H      0.24814442     -2.53016063     -0.65023726
  O      1.10579843     -2.62437387     -2.23333681
  H     -5.40910286      1.70646073     -2.29082332
  H     -0.39366770     -1.54240436      0.34445989
  O     -0.34166315     -2.47919001      0.11735683
  H     -4.20186916      0.87440664     -1.80346227
  H     -0.38430153      0.67406989     -0.54654006
  O     -0.62517167      0.33356030      0.33267483
  H     -2.39602973     -3.89681125     -6.33261355
  H     -0.30348721      0.96734463      0.96932401
          69
 Energy    -248.41547178836277     
  O     10.60399589      9.47461277    -10.94901834
  H     10.66966390     10.05605244    -10.19511400
  H     17.35862946      6.70564992    -16.71786076
  O     14.67538323      7.16309583    -15.56234905
  H     11.44949675      9.55284995    -11.41902422
  H     18.68758388      7.19310508    -15.00934922
  O     17.08930572     10.22494622    -10.03026795
  H     15.27851851      7.02450156    -16.30114518
  H     17.92470587      5.92593901    -14.57840863
  O     18.23956371     11.18372958    -15.70093194
  H     15.19647039      7.56944448    -14.85259102
  H     16.64854232     11.77246192    -14.81718409
  O     12.50673525      8.73371654    -15.05426206
  H     17.10537600     10.98229672     -9.45163176
  H     15.13956235     11.58465496    -15.08174917
  O     13.77438328      6.87025602    -11.18758469
  H     16.47988790     10.43995003    -10.75924061
  H     15.89435572      9.02085097    -13.01264850
  O     13.03677983      5.10970702    -14.62281529
  H     17.68001695     10.69159437    -16.33014167
  H     17.08335263      8.51002534    -13.86358170
  O     15.40568207     10.60562443    -12.09551755
  H     18.79479893     11.76142383    -16.21784642
  H     11.86992272      6.68437024    -11.25330645
  O     16.52756594      9.80993727    -17.27810694
  H     13.25082339      8.16114359    -15.30239318
  H     10.66418176      7.64051914    -11.22298678
  O     14.46954547      4.41612685    -12.46068256
  H     11.77205629      8.14301520    -14.84568076
  H     18.96877159      5.52266118    -10.43208648
  O     18.82536779      8.85434101    -14.23319136
  H     14.01196293      6.03444810    -11.60478963
  H     17.95925650      5.96300363    -11.51749389
  O     16.73881487      6.96602928    -17.42372820
  H     14.52342201      7.12125218    -10.62584086
  H     10.75718547      6.72395715    -13.24541732
  O     18.34356186      6.34892934    -15.33745998
  H     12.19125077      5.56307381    -14.52506745
  H      9.81169047      6.51299721    -14.44976765
  O     15.77369981     11.92681085    -14.43998055
  H     13.63668019      5.74772397    -15.03472806
  H     19.02502385      8.00631637    -11.21343490
  O     16.18639810      8.29345119    -13.57136725
  H     14.49666043     10.27551959    -12.10733346
  H     18.52986213      9.44209816    -10.99313568
  O     10.94384783      6.76115246    -11.51587849
  H     15.53540745     11.16398559    -12.87687013
  H     16.13373124      5.14757170    -12.79369825
  O     18.42767821      6.25440446    -10.71690476
  H     16.59558355      8.85408652    -17.38881880
  H     16.60145330      6.60507583    -13.04853849
  O     10.71052154      6.73109478    -14.21836670
  H     15.61778589     10.00323653    -17.02215702
  H     16.34550147      8.49111213     -9.75667168
  O     19.14379170      8.91445324    -11.51854909
  H     13.92478701      4.58078193    -13.25162632
  H     16.83129671      7.05728397     -9.98483319
  O     16.91657478      5.69578636    -12.92738832
  H     14.19874222      3.57317306    -12.10745843
  H     13.39454273     11.26744071    -16.88376716
  O     16.04099936      7.57634333     -9.79473441
  H     18.76489564      9.71882206    -14.65608466
  H     13.36298725     10.09198518    -15.88864031
  O     13.95087242     10.72709726    -16.32648582
  H     19.04852943      8.96956415    -13.29608195
  H     13.29161556      8.43304538    -11.97279149
  O     13.02561836      9.29159084    -12.33740613
  H     16.94364976      6.42865720    -18.18367156
  H     12.84144380      9.16211588    -13.27598864
          69
 Energy    -248.41539237624937     
  O     -6.84130996      2.74680005      0.93841582
  H     -6.57274226      2.10300094      1.60660878
  H     -4.29063109     -0.25022035      3.61104524
  O     -4.37134933      2.39500326     -3.75993648
  H     -6.14235956      3.40916266      0.92825646
  H     -0.65859891      0.98323294      1.22419431
  O     -5.63084152      0.68685541      2.51308789
  H     -4.33131002      2.66356971     -4.67400526
  H     -0.93327244      1.78410300      2.53293261
  O     -3.03819914     -1.70421893      1.31145180
  H     -3.46390423      2.46358455     -3.41985149
  H     -1.84217262      2.83429539      0.67194474
  O     -1.41567256     -0.33652382     -2.28308234
  H     -6.22023515     -0.02324247      2.21835106
  H     -3.15842069      3.68498619      0.49263504
  O     -5.37699315      0.49846310     -2.05463570
  H     -4.98763514      0.77782250      1.79013985
  H      1.13349330     -0.55585606     -0.00163574
  O     -5.06687328     -3.02449319     -0.11468511
  H     -3.30199626     -0.84549346      0.94075690
  H      2.06557906      0.65483774     -0.15271944
  O     -3.87126921     -1.81008727     -2.21501619
  H     -3.66294794     -2.33884457      0.94321352
  H      2.21899054      3.17124803      0.64724122
  O     -1.90588046      2.42676112     -2.54445452
  H     -0.53747899     -0.42853757     -2.67391072
  H      0.89943357      2.37848106      0.76954625
  O     -0.69597895     -0.61442712      0.39123004
  H     -1.67366183      0.58820465     -2.40118973
  H     -8.73902860      1.09876617     -1.04656338
  O      1.31673509     -0.30292859     -3.03248648
  H     -6.28513575      0.65412073     -1.76975709
  H     -7.53442080      1.63508519     -0.23902751
  O     -3.41310706     -0.59177429      3.81837482
  H     -5.12463276      1.18831829     -2.68547696
  H     -1.37552277      1.50863111      5.02579873
  O     -0.60700604      1.86381925      1.62826118
  H     -4.63431929     -2.65046921     -0.90430500
  H     -2.30731655      0.71467784      4.08021372
  O     -2.52293820      3.11294659      0.04400103
  H     -5.27282133     -3.93246054     -0.32027762
  H     -7.34193708     -0.62513958      0.35599648
  O      1.97417608     -0.27585259     -0.39112950
  H     -4.46710076     -1.05097322     -2.29930736
  H     -6.39451449     -1.81690525      0.63948722
  O      1.67722000      2.52131139      0.20620199
  H     -2.98169424     -1.44290781     -2.27887896
  H     -3.43406504      1.53977140      0.22593672
  O     -7.83571711      0.90612296     -0.80989214
  H     -2.14099298      2.75375601     -1.66406461
  H     -4.44731038      0.61334132     -0.49494082
  O     -1.77009990      1.52438493      4.15761384
  H     -0.95326241      2.56256844     -2.65004641
  H     -4.68629666      5.40686624      1.63260006
  O     -6.99215283     -1.18541544      1.05876827
  H     -0.96903300     -0.50313944     -0.53156653
  H     -4.42230558      4.00846340      2.24417843
  O     -3.94423376      0.72766425      0.32306541
  H     -1.36814837     -1.17377595      0.80053963
  H     -3.36176024      2.54554252      3.83121247
  O     -4.54098679      4.49185800      1.40618937
  H      1.64418728     -0.37065035     -2.11774241
  H     -4.79047415      2.15565894      3.40031326
  O     -4.21551813      2.91245085      3.57369930
  H      1.91468377     -0.80579823     -3.57838925
  H      1.15525421      2.58718305     -1.65837057
  O      0.83813946      2.49814491     -2.56536460
  H     -3.18461744     -1.14061567      3.05478719
  H      1.08629048      1.60811889     -2.84500397
          69
 Energy    -248.41518306565894     
  O     -0.64878414      2.96844123      3.29182708
  H     -1.24803339      2.73460819      2.57216264
  H      1.26041142      3.30026786      0.46429490
  O     -3.19984380      5.25012287      0.14426329
  H     -0.70194108      3.93199507      3.35902078
  H     -0.49400607      2.98788305     -2.30685872
  O      3.29702144      5.73872561      0.11488169
  H     -3.19975680      5.95418314      0.80172591
  H     -1.40640283      3.40288422     -3.48578790
  O     -1.12512156      5.83174027     -1.52003461
  H     -2.50315206      5.48034632     -0.49048840
  H     -0.21337080      9.20295764     -2.10050299
  O      3.63592769      3.40457820     -1.32437984
  H      3.13800130      6.36400844     -0.60622315
  H     -0.04050228      8.45821719     -0.75498047
  O      0.62058069      4.99183826      0.49528914
  H      3.58509577      4.91719511     -0.30967048
  H     -2.83861421      1.22905276     -2.90728251
  O     -2.64813334      7.23406370      2.07429567
  H     -0.76446773      6.69055193     -1.77285390
  H     -1.83862742      0.84244482     -1.80529605
  O     -0.56364748      1.86863570     -0.89628694
  H     -0.91274536      5.16981913     -2.19023926
  H      3.26926298      5.60508685      1.92789790
  O     -0.54614993      5.72087831      2.89854426
  H      3.03424802      2.90376957     -0.75611494
  H      2.74454564      4.62416145      3.01010300
  O     -2.39645389      2.70838102      1.03883147
  H      3.11456463      3.69612515     -2.08171168
  H     -4.70711744      2.79719931     -1.14201244
  O     -0.25996734      8.50211219      0.97364157
  H      0.05499058      5.31117788     -0.21746452
  H     -4.24964086      4.26464143     -1.04999523
  O      1.71608562      2.44328724      0.49694308
  H      1.51034746      5.34766272      0.35920774
  H     -3.69782105      2.98822549     -4.63583886
  O     -0.56027947      3.59349791     -3.06130747
  H     -1.96917810      6.64769576      2.45351212
  H     -3.69600988      3.22573376     -3.10748159
  O      0.01550259      8.35804148     -1.72278091
  H     -3.15854421      7.57438358      2.80490930
  H      2.38383471      2.24195513      3.98629016
  O     -2.67471709      0.57775063     -2.21498301
  H      0.30000937      1.83929636     -0.46471426
  H      1.10342645      2.79134529      3.31704681
  O      3.01395221      5.53694914      2.86035057
  H     -1.18553287      2.18335016     -0.22430281
  H      2.30714628      4.34675290     -4.36302749
  O     -4.60186250      3.60416068     -1.66105411
  H      0.07593735      6.37984418      3.23147728
  H      1.11106208      4.16501012     -3.40672675
  O     -3.15250282      2.92113610     -3.85672952
  H     -0.16347703      5.40597708      2.06292606
  H      2.04207498      6.94025839      3.11131177
  O      2.07588795      2.78217856      3.26317675
  H     -2.66568245      3.60705902      0.80264373
  H      1.79544268      8.27511603      3.84887850
  O      2.00845355      4.52691745     -3.47382137
  H     -3.12500293      2.12782251      0.78440704
  H     -4.98430885      0.42402717      0.04051351
  O      1.40697956      7.67212915      3.22126876
  H      0.37631712      8.27287984      1.66140624
  H     -3.83312179      0.82939398     -0.91191930
  O     -4.40805441      1.14656692     -0.19235255
  H     -1.11622729      8.18862287      1.28756741
  H      1.69044999      7.55073979     -2.07834209
  O      2.51557787      7.05745602     -2.15484429
  H      1.98521955      2.34737067      1.41730923
  H      2.31843206      6.26035978     -2.66282035
          69
 Energy    -248.41507878407543     
  O     11.78756634     10.96659970    -15.38044214
  H     12.16758539     11.79420674    -15.06507645
  H     18.28027605      8.19366428    -11.78077658
  O     16.00673275      7.24583767    -13.56941205
  H     12.47996951     10.54071553    -15.90541929
  H     16.14873185     12.75745772    -15.43570689
  O     16.05189980     11.47461657    -10.58426214
  H     16.32945659      7.32900104    -12.66067763
  H     15.49554673     12.46424448    -16.79064753
  O     17.33662119     11.73572353    -14.46046316
  H     15.09714301      6.92880681    -13.49577648
  H     15.57641977      8.94732021    -14.01670536
  O     13.17949078      7.16305764    -17.22374923
  H     16.87823363     11.55926269    -11.07459700
  H     14.82878099      9.78791883    -15.09711879
  O     13.47546878      7.95312664     -9.46190926
  H     15.32757609     11.54293840    -11.22090603
  H     10.93588254      9.83841209    -14.40618146
  O     13.45528743      6.59261475    -12.76951780
  H     16.65146500     11.05268252    -14.37456594
  H      9.57701317      9.35700227    -13.84172169
  O     13.98373520     11.36247828    -12.46567200
  H     17.80653293     11.76219714    -13.62017527
  H     16.56859813      8.04152635    -10.27416481
  O     18.04638594     10.07420942    -16.58463050
  H     12.88613885      6.55463343    -17.89603726
  H     16.18895457      6.61289861    -10.69440392
  O     14.56896282      5.64395371    -10.33498564
  H     12.62611994      6.98684272    -16.44298268
  H     12.29383696      6.55984893    -14.22143792
  O     18.32101219      7.68323338    -14.97306348
  H     13.02241351      8.39442103    -10.19332000
  H     11.20897033      7.56592455    -14.63706791
  O     18.83288993      8.76707228    -12.32616050
  H     14.24340769      8.49834876     -9.24746105
  H     19.37115801     11.80481128    -11.62416995
  O     15.40952622     13.01499606    -16.00519510
  H     13.16186788      7.46254984    -12.45855050
  H     18.69430840     10.48536142    -12.06654218
  O     15.33167269      9.84371503    -14.27203512
  H     13.75434093      6.10830048    -11.99100092
  H     15.96849568     10.11185969     -9.57372293
  O     10.51122312      9.16782318    -13.83973019
  H     14.46377769     10.79469690    -13.09039596
  H     16.30039443      9.49552310     -8.19368573
  O     16.79838153      7.33510920    -10.89393075
  H     13.64853546     12.09799811    -12.99090730
  H     16.22359260     11.16796915    -18.96095793
  O     11.70983174      6.80402324    -14.95189308
  H     17.98487561     10.73254216    -15.87754136
  H     16.72975976     10.63442561    -17.60110748
  O     18.55274601     11.44224972    -11.95283637
  H     18.15729877      9.22927628    -16.13490151
  H     12.97025477      9.90099228    -11.99331526
  O     15.95053705      9.28683308     -9.05551720
  H     14.36407508      4.89708272     -9.77952350
  H     11.72340848      9.10078081    -12.43998341
  O     15.95744979     11.01191118    -18.05907774
  H     14.12797521      6.42028676     -9.94106890
  H     13.97876799     13.19860100    -15.01607957
  O     12.49207774      9.07216934    -11.85534841
  H     17.46104254      7.43486031    -14.59450220
  H     12.93894775     14.16699226    -14.41021970
  O     13.20602251     13.25194534    -14.42559441
  H     18.71819488      6.87658844    -15.29407246
  H     14.56270704     10.10536225    -17.25972938
  O     13.93255822      9.71741440    -16.64074278
  H     18.78892002      8.42237978    -13.22586832
  H     13.71769010      8.81841819    -16.93075295
          69
 Energy    -248.41506972170066     
  O      9.74443825      9.10779219    -14.35640564
  H      9.91117787      8.16955596    -14.18152210
  H     16.69458268      7.58112919    -10.54532037
  O     15.99966130      9.44734512    -13.67664935
  H      8.96804631      9.13811767    -14.91079111
  H     12.70398546      3.38102355    -11.65505140
  O     14.67789250      4.70083590    -13.53979365
  H     15.39503364     10.10965643    -13.31782703
  H     13.27870574      4.54278412    -10.79706138
  O     15.50368338      2.88801292     -9.56526669
  H     16.25596906      8.91829981    -12.90758473
  H     13.68429839      6.21374829    -13.58233049
  O     14.04495992      8.70296311    -15.56666690
  H     15.58733788      4.96950796    -13.35351826
  H     13.41654967      7.57995418    -14.29540179
  O     13.89473851     10.93778363    -12.40434958
  H     14.33192075      4.27153147    -12.74711861
  H     15.94636917      6.76909517    -16.45288810
  O     11.12033478      3.23159875    -12.46202040
  H     15.40857972      1.97893894     -9.29295387
  H     15.61457831      6.65105243    -17.95711507
  O     14.91293481      5.41191193     -8.34943642
  H     14.79243954      3.06467426    -10.20477239
  H     13.96148052      4.48415297    -15.18641765
  O     12.18684031     10.47639333    -14.42606878
  H     14.37754761      8.07497673    -16.21948230
  H     13.98442288      5.26479511    -16.50454431
  O     17.78807390      4.34001952    -10.54046806
  H     14.79348003      8.96694433    -15.01108616
  H     17.51177130      5.08296034    -12.18456746
  O     17.19443310      6.73007150     -8.99015120
  H     13.85370026     11.84309298    -12.10930560
  H     16.85654433      6.45824581    -12.39383925
  O     16.31870914      7.86605052    -11.38809678
  H     13.22439343     10.83994477    -13.10603472
  H     16.95047066      8.05640070    -14.80079774
  O     13.51012651      3.70911595    -11.23056231
  H     10.65417341      3.93590055    -11.99486263
  H     17.27831564      6.58488561    -14.48847996
  O     13.14536909      7.01560753    -13.55948888
  H     11.06455695      3.44851583    -13.40052391
  H     10.49982534      3.57910602    -15.86989456
  O     15.21811879      6.65052289    -17.08956577
  H     14.07472418      5.65794071     -8.76031158
  H     11.83133787      4.29616244    -15.55486678
  O     13.47959290      4.60427694    -16.01851114
  H     15.09226217      4.50213801     -8.61967279
  H     13.61333520      9.31067427    -11.46485635
  O     17.16552718      5.67249466    -12.86866911
  H     11.31060705     10.07059961    -14.39259633
  H     13.38969878      7.90484441    -12.06764393
  O     17.11142387      7.20155799    -15.21471816
  H     12.72549919      9.92208496    -15.00607398
  H     10.48010699      5.69826112    -14.35093216
  O     10.93392064      4.12252192    -15.21770224
  H     17.08624660      3.75597216    -10.22784946
  H     11.42787961      6.71486671    -13.68341949
  O     13.57828188      8.37384582    -11.23795766
  H     17.74214794      5.12109422     -9.97555232
  H     10.17556391      6.01538357    -12.07821347
  O     10.49125339      6.47675581    -13.77997786
  H     17.64151750      7.03406021     -8.20491164
  H      9.24555344      5.84724983    -10.85524374
  O     10.11695039      5.63939119    -11.18398016
  H     16.36524338      6.31017722     -8.69818782
  H     12.95812872      6.93323383    -10.30903847
  O     12.66727247      6.07163378     -9.97736169
  H     15.37257099      8.00371994    -11.24209009
  H     11.75235713      5.95878414    -10.26314109
          69
 Energy    -248.41500089686673     
  O     13.40787805     13.17123501    -12.17866798
  H     14.18106713     12.68930313    -12.50374321
  H     17.74741665      5.51420347    -14.18498669
  O     13.21913139      9.63822425     -9.40205802
  H     13.63324066     13.45105038    -11.28369957
  H     19.55308624      8.20552458    -10.33075453
  O     14.38270671      7.44881952     -8.11983969
  H     13.52331232      8.88985780     -8.87538951
  H     18.31485522      7.97190821     -9.44179861
  O     11.68795183     11.98552853     -9.23334370
  H     14.00325840     10.15046606     -9.64660533
  H     13.11385420     13.02854231     -9.22779826
  O     11.05916972     11.82266673    -12.05314904
  H     14.17153796      6.79459223     -8.81131934
  H     13.97299681     14.23268944     -8.77097562
  O     17.99981159     11.23745752    -14.06737559
  H     14.25162208      7.01756810     -7.28010999
  H     11.51034174     10.02385624    -11.96391684
  O     15.95541234      4.80001714    -14.34214965
  H     12.09885210     11.11622900     -9.12504390
  H     12.36264315      9.26543873    -10.91752263
  O     15.57542451     11.51472968    -12.77054267
  H     11.29956716     11.97516209    -10.11660182
  H     17.50346130      8.40680189    -12.85451263
  O     16.12885076      7.92461013    -11.74902566
  H     10.39345716     12.28013869    -12.55948866
  H     18.48192431      7.68758382    -13.79681140
  O     16.09020444      5.10882198    -11.56309533
  H     11.89021587     12.31774630    -12.17262031
  H     19.49183388      4.60057433    -10.80708501
  O     16.65251269      8.80206648     -9.14395473
  H     18.10600501     10.27745344    -13.96295512
  H     18.94942055      6.03897865    -10.65365056
  O     18.60587917      5.88994719    -13.95443721
  H     18.34807555     11.44783280    -14.93032817
  H     14.04815607      7.45928329    -14.19321921
  O     19.09165953      7.53315975     -9.80922091
  H     15.20950720      5.42391109    -14.39604316
  H     13.17420336      6.34818319    -13.61045981
  O     13.96114273     13.48826469     -9.36612409
  H     15.77052691      4.09910211    -14.96157147
  H     11.02951977      6.09221478    -12.18754897
  O     11.92295904      9.17156144    -11.77667587
  H     16.42813391     11.54243357    -13.22367623
  H     11.82902734      7.40447054    -12.03676266
  O     18.23909994      8.56190367    -13.46298106
  H     15.10775162     10.73177106    -13.09535907
  H     13.14563711      5.92034627    -10.78038354
  O     18.83860396      5.20590271    -11.14710791
  H     16.07415440      6.96176317    -11.71239321
  H     14.58562687      5.39613827    -10.57028194
  O     13.86233869      6.51449048    -14.26563878
  H     16.33761450      8.23210726    -10.85834652
  H     19.52990527      9.12357175    -12.27884983
  O     11.91629686      6.44323106    -12.15050299
  H     17.02690218      5.04456072    -11.33128934
  H     20.10648216     10.38746901    -11.63896381
  O     13.80591683      5.72994276    -10.10468726
  H     16.01448673      4.87429121    -12.49754215
  H     14.89925430      8.69818218    -12.74857521
  O     20.10543542      9.43544673    -11.56389741
  H     16.36234509      9.70842677     -9.31782881
  H     13.43141220      9.20261508    -12.85940765
  O     14.27012312      9.15017596    -13.33549620
  H     15.93448626      8.34616764     -8.68603279
  H     15.59138326     11.28280519    -10.95876978
  O     15.47423624     11.18846167    -10.00225077
  H     18.77936351      5.61767938    -13.04417869
  H     15.10171343     12.02147010     -9.68719701
          69
 Ord_Energy   -248.414993    
 O    2.83302855     -0.508403659     -0.998708904    
 H    3.61311913     -0.588054240      -1.54204202    
 H    2.56412721      0.424749643      -1.03447807    
 O   -4.41319847       3.14307547      0.289956063    
 H   -4.36053133       3.67401958       1.09338081    
 H   -3.79608130       2.40687990      0.399952501    
 O    2.42590380      -1.51137185       1.67170668    
 H    1.58173382      -1.96948767       1.57635987    
 H    2.65539384      -1.19326544      0.789693296    
 O   -2.25613070       1.33886552      0.584049463    
 H   -1.80959785       1.13951468     -0.250341415    
 H   -1.81374598       2.12809634      0.934378684    
 O  -0.289132088      -2.48688579       1.29360545    
 H  -0.531865656      -3.40796781       1.24995899    
 H  -0.194018364      -2.17913961      0.373504758    
 O   0.300049603       4.69277382       5.08619785    
 H   0.524601996       3.75445843       5.22480297    
 H   0.620113611       5.16589499       5.85029984    
 O   -1.01177180       3.52978349       1.62472272    
 H   -1.35199094       3.62134933       2.52329278    
 H   -1.24925089       4.33602238       1.15004551    
 O   0.626057804       6.09865522      0.120708980    
 H  -0.315409392       6.24753475      0.269081950    
 H    1.02691627       5.96145153      0.990783870    
 O  -0.703543305       1.05163312      -1.68269742    
 H   0.172252387       1.33088899      -1.38317919    
 H   -1.03132951       1.78484762      -2.22366619    
 O   0.175329983      -1.54547608      -1.19488502    
 H  -0.279088676     -0.742531359      -1.48437238    
 H    1.11585605      -1.33138251      -1.23446643    
 O   -2.08974004       1.11382008       4.88200140    
 H   -2.66181517      0.578350782       5.42628622    
 H   -1.86018538      0.574128091       4.10654545    
 O    1.18589759       4.58730650      -2.05047774    
 H    1.01311076       5.13579178      -1.26417196    
 H    1.69444132       5.12806320      -2.64952016    
 O    1.63855278       2.74914145       1.65119851    
 H   0.719897270       3.05884075       1.62028706    
 H    1.65109706       1.97188890       2.22473693    
 O    1.36910045      0.487891138       3.21398735    
 H   0.447004199      0.280685872       3.01237392    
 H    1.89560819     -0.198796675       2.78075528    
 O    1.85224426       2.06350565     -0.976931155    
 H    1.71862221       2.89527178      -1.44757724    
 H    1.85965705       2.28769469      -3.35240997E-02
 O   -4.04153395       5.00611877       2.50203323    
 H   -3.44735098       4.61856174       3.16545010    
 H   -4.73504210       5.45136261       2.98294353    
 O   -2.17968917       3.83571911       4.15716553    
 H   -2.22345161       2.91620564       4.45150900    
 H   -1.38990760       4.23524237       4.54872656    
 O   -1.31311965       3.42865753      -2.88036418    
 H   -2.05167580       3.92931318      -2.51452255    
 H  -0.508635581       3.90768862      -2.64425325    
 O   -3.51813030       4.79094601      -1.67631674    
 H   -4.23263264       5.09845495      -2.22811723    
 H   -3.90188336       4.15535545      -1.04585242    
 O   -2.15318942       5.87428570      0.525923252    
 H   -2.57884598       5.61567068     -0.303164959    
 H   -2.81846189       5.75952387       1.21538961    
 O    1.71426892       5.38857603       2.60166264    
 H    1.23781204       5.26631403       3.42928791    
 H    1.93157077       4.49346113       2.30563831    
 O   0.608363509       2.01996636       5.40352345    
 H    1.06730223       1.48974466       4.73703194    
 H  -0.285581857       1.66041100       5.43209410    
 O   -1.31639171     -0.247124821       2.62576914    
 H   -1.02893460      -1.09078181       2.25338745    
 H   -1.70584357      0.259973049       1.89771700    
          69
 Energy    -248.41490877301999     
  O     17.61931980      9.56794070    -10.67322212
  H     17.18544352      9.00022642    -10.01349789
  H     19.09838314      3.13568128    -12.24479695
  O     13.13657939      6.51962662     -8.82025481
  H     17.67160298     10.44473236    -10.27550828
  H     16.46374532      5.24950946     -9.87252165
  O     17.57462405     11.86261009     -9.08194908
  H     12.65091088      6.63292699     -9.65024601
  H     15.26284731      5.63132502    -10.79016490
  O     15.93319342      8.71146323    -12.70075003
  H     13.94900506      6.05256819     -9.06509846
  H     19.81570877      6.98950039    -12.25870759
  O     19.59744770      7.63731546    -10.54778290
  H     17.64880403     12.81088150     -9.14265314
  H     19.50145080      5.64409319    -12.94171380
  O     20.41943178      7.98780923     -7.88038379
  H     16.75589776     11.67470113     -8.58720771
  H     16.62104292      8.85360267     -5.66171915
  O     18.30645330      5.21887289     -9.88208104
  H     16.54273922      9.05459106    -12.03137253
  H     16.62716327      9.90284913     -4.52564711
  O     12.30653260      7.02959616    -11.40261057
  H     16.47809215      8.39584242    -13.43364314
  H     18.43533775      7.26901134    -14.09322666
  O     15.40685745     11.16522011     -7.61648898
  H     19.99414392      7.74737166     -9.67442530
  H     17.97357543      7.83577285    -15.45651405
  O     13.51007092      9.67063789    -11.74354582
  H     18.98692460      8.37818617    -10.66777722
  H     16.02362773      7.14134591     -9.31559559
  O     13.77526824      9.28462548     -8.95500985
  H     21.29436379      8.10213629     -7.51817935
  H     15.41155047      8.52025208     -8.93112855
  O     18.70990684      4.00389549    -12.31897011
  H     19.90835341      8.77793341     -7.62999468
  H     18.26596394     10.07653036     -6.54298204
  O     15.53374946      5.50998721     -9.86751263
  H     18.68560528      6.05466686    -10.18801321
  H     18.60888397     10.78374674     -7.86536860
  O     19.69543001      6.57187773    -13.12277637
  H     18.44010768      5.21457868     -8.92260862
  H     13.47654040      6.33150089     -7.03757719
  O     16.73008963      9.80037563     -5.46811978
  H     13.02123707      6.55866647    -11.85461133
  H     13.36167499      5.55992518     -5.71611967
  O     17.65633579      7.56292272    -14.59953600
  H     12.49091538      7.96023359    -11.57053439
  H     15.14590543      7.02004339    -12.49141520
  O     16.23549350      8.01374306     -8.95496185
  H     15.74074061     10.72112308     -6.82691758
  H     15.28307394      5.58061891    -13.04174000
  O     18.95656315     10.16705328     -7.21113540
  H     14.72134064     10.59602499     -7.98884138
  H     17.96247229      6.13910521     -6.76464702
  O     13.86215870      6.24576519     -6.15178932
  H     13.18807947     10.39973289    -12.26838279
  H     19.34028135      6.48445495     -7.35735831
  O     14.77148936      6.13137311    -12.43216466
  H     14.34336717      9.38321615    -12.15075442
  H     16.46260037      7.51407239     -7.24229489
  O     18.71769680      5.75729337     -7.22898478
  H     13.63073142      9.49568664     -9.88731307
  H     15.57458393      6.83251831     -6.16632634
  O     16.44596237      7.22620177     -6.31645120
  H     13.42613558      8.39463285     -8.81058253
  H     17.29194511      4.51477068    -13.51201217
  O     16.59940842      4.90631046    -14.05903942
  H     18.55899529      4.31879487    -11.41229674
  H     16.95656123      5.74275092    -14.38195288
          69
 Energy    -248.41488657592515     
  O     -5.18359216      4.51783628      1.61586412
  H     -4.84883782      4.87380161      0.77136118
  H      1.29675014      2.07748943      2.67837817
  O     -3.67311625     -2.25622753      0.97087276
  H     -6.10274109      4.76328768      1.67635454
  H     -1.93880539      3.97587520     -2.58766031
  O     -0.26184353      3.79002208     -2.19522528
  H     -3.61346310     -1.90100809      0.06553698
  H     -3.04079676      4.18073844     -3.65498103
  O     -3.14361691      1.50412015     -1.42516304
  H     -4.38950279     -2.88547832      0.97200757
  H      0.02141658     -2.39124816     -2.36103606
  O      0.63781241      0.26381164      5.09078683
  H     -0.07944664      2.87189626     -1.96008834
  H     -0.51099020     -2.13000873     -0.93202952
  O      1.15479314      5.25227770      2.70000792
  H      0.00880552      4.34132566     -1.44899385
  H     -2.06664719      8.06292433      0.79435659
  O     -1.26060648      3.15288159      1.20221602
  H     -3.47198755      1.70406398     -0.53745183
  H     -2.36799111      6.72488177      1.51259581
  O     -1.99780942      1.45887589      4.87221732
  H     -3.17797136      2.32432912     -1.93143185
  H     -2.87821046      2.54412315      1.18796990
  O     -3.27650610     -1.27766969     -1.53019163
  H      1.02479954      1.03132382      4.63689667
  H     -4.37880021      2.86435385      1.40641722
  O     -3.00034655     -0.08432310      2.64975137
  H      1.21700830      0.05191291      5.81808257
  H     -3.77429553      5.36513239      2.61238440
  O     -0.31926797     -0.81700311      2.66898707
  H      1.67511670      4.47021102      2.91173770
  H     -2.45185385      5.23163259      3.40614390
  O      1.36867372      2.45231891      3.56905482
  H      0.35716675      5.15387035      3.23325063
  H     -0.26818999      0.09213869     -1.65354052
  O     -2.90260261      3.99840356     -2.72912022
  H     -0.88982856      3.91985543      0.74819265
  H     -1.29761227      1.20385368     -1.36195745
  O     -0.44645258     -1.75387705     -1.82842478
  H     -0.59295959      2.45395073      1.17771958
  H     -1.54339105      3.11571547      4.32857334
  O     -2.06985030      7.11720197      0.67187009
  H     -2.46134727      0.90230439      4.23398321
  H     -1.24936955      3.65291928      2.90436007
  O     -3.76601100      2.14861171      1.20215609
  H     -1.19290678      0.98135342      5.10536515
  H     -3.35881063      6.12693950     -0.32433579
  O     -2.98710218      5.84865451      2.89383898
  H     -3.34203663     -0.31455733     -1.59187240
  H     -3.67442765      5.01829589     -1.36084207
  O     -0.34793881      1.02269688     -1.40770476
  H     -2.37256086     -1.49506888     -1.78712563
  H      0.48763242      1.12159324      0.19916497
  O     -1.16865003      3.86917695      3.84759015
  H     -3.33316709      0.68401582      2.16394957
  H      0.39645763      0.44801591      1.60094723
  O     -4.04238145      5.51213547     -0.61820179
  H     -3.31590366     -0.86202945      2.17165817
  H     -0.50387771     -2.15942733      1.40547543
  O      0.71665340      1.23291437      1.13236385
  H      0.04254703     -0.62485086      3.54176043
  H     -1.80102685     -2.72708563      0.81762128
  O     -0.84549623     -2.70452528      0.68387636
  H     -1.24962754     -0.54397912      2.67964561
  H     -0.62732781      6.04799481      0.22445287
  O      0.04096382      5.35468785      0.14034431
  H      0.54889666      2.94000176      3.72795386
  H      0.57335018      5.38485806      0.94829193
          69
 Energy    -248.41475504279992     
  O     11.89653603      9.53818080    -15.70601203
  H     12.52080998      8.98537240    -16.19543850
  H     15.75222922      5.37293002    -15.62316391
  O     16.28026199      6.68608748    -12.85999290
  H     12.27347713     10.42613962    -15.69765109
  H     16.32450263     11.65428433    -16.29632874
  O     16.20490994     10.96420370    -11.33336190
  H     15.52603231      6.61232127    -12.25982881
  H     15.81441234     10.55176940    -17.25722705
  O     17.70714766     11.93085262    -15.21450434
  H     16.87718614      7.34714400    -12.48573636
  H     14.80726554      8.44875230    -15.27739012
  O     13.89057105      5.26261428    -15.94092995
  H     15.54715198     11.05232361    -12.03973324
  H     15.52947579      7.94268497    -13.98675984
  O     14.53983713      9.83944291     -9.43822606
  H     15.71905019     10.66238726    -10.55331052
  H     10.01596604      8.21483571    -13.57755656
  O     14.05577573      6.73744102    -11.22756487
  H     17.73077334     12.36851624    -14.35332978
  H     11.27187566      8.72686287    -14.32228249
  O     14.25601163     10.87997781    -13.26924891
  H     18.02122519     11.03163168    -15.05767318
  H     18.92017043      7.59877636     -9.16620098
  O     18.18931659      7.24604205    -16.83769581
  H     13.47041472      5.48359723    -15.08913276
  H     18.08033179      8.03422180    -10.37612663
  O     15.42772813      7.15940477     -8.80446185
  H     13.45570483      4.47830017    -16.26443370
  H     12.07054903      6.69626243    -13.63266120
  O     18.07371597      9.17120125    -14.73059124
  H     13.79652680      9.67245737    -10.03261383
  H     13.15966582      6.05130674    -12.75772803
  O     16.66035480      5.58535539    -15.37776691
  H     14.81826988      8.97438704     -9.11629518
  H     17.82688884     13.71630160    -12.04979101
  O     15.56739690     11.38028324    -16.83898993
  H     14.46102387      6.75400211    -10.35195905
  H     17.24848832     12.29585573    -12.03640024
  O     15.33610667      8.72454743    -14.51994939
  H     13.63900079      7.60328546    -11.35296343
  H     18.16552674      8.97790963    -12.87530333
  O     10.96854884      8.22568376    -13.54318974
  H     13.87633405     11.43808230    -13.95597269
  H     17.31447487      9.58826994    -11.72925642
  O     18.03292730      7.58697892     -9.51598278
  H     14.65375314     10.12416643    -13.73144096
  H     16.95615478      8.27961021    -17.69963764
  O     12.72487572      5.98640729    -13.61663035
  H     18.96066015      6.77365869    -17.13863200
  H     16.49000784      8.92423915    -19.02225989
  O     17.73571611     12.93067006    -12.58326502
  H     17.65303278      6.61194262    -16.32574164
  H     12.05072505      8.89056835    -12.15819809
  O     17.87489521      8.83394401    -11.96564100
  H     16.36886351      7.27509008     -9.02111380
  H     13.26139380      9.84070329    -12.16358756
  O     16.23915948      8.78642520    -18.11132154
  H     15.39155699      6.75149647     -7.94311344
  H     14.08115757     11.81851869    -16.10430035
  O     12.78831253      9.19675122    -11.61647635
  H     17.10403410      9.13736040    -14.70332561
  H     13.00647659     12.91290689    -15.90304802
  O     13.25944711     12.03705420    -15.62591155
  H     18.32851409      8.55207160    -15.42209246
  H     13.90074075      6.97629699    -16.65251391
  O     13.90263334      7.93031874    -16.80595883
  H     16.62447267      5.84908086    -14.44706193
  H     14.64796831      8.14966564    -17.37952444
          69
 Energy    -248.41459644162342     
  O     10.97564894      9.82177866    -11.33040892
  H     11.55452603     10.30309260    -11.93612589
  H     16.68022880      7.38089061    -14.78158974
  O     13.55814339      7.03874962    -14.78942649
  H     10.45661097      9.22007497    -11.87750120
  H     13.41534757     11.18456355    -16.27442558
  O     17.63039085     10.65820050    -10.97949801
  H     12.75856077      7.57569122    -14.83395422
  H     14.85239868     11.43139046    -15.79357280
  O     16.42834110     10.38970595    -16.18696636
  H     14.27683014      7.65225481    -14.56307744
  H     15.50147144      9.12700626    -13.31492125
  O     11.50669481      8.90971323    -14.80410241
  H     18.11688759     11.44501747    -10.75061216
  H     15.83040761      9.35695904    -14.82313464
  O     14.12656748      5.82717247    -12.32450694
  H     18.14621657     10.19533285    -11.66501680
  H     11.62920608      8.83337576    -10.04516248
  O     15.05649205      9.99403175    -11.79593142
  H     17.33316021     10.06980782    -16.10431288
  H     11.58023537      8.36541971     -8.57007858
  O     14.95776542      8.79852618    -17.86134769
  H     15.99583220      9.85301551    -16.87306707
  H     19.49942744      6.25704466    -10.94389032
  O     16.77926822      5.30944191    -12.86447942
  H     11.96654890      9.55121805    -14.23987370
  H     18.25738580      7.14884424    -10.71555196
  O     18.85062290      8.88616478    -15.67009371
  H     10.82474760      8.49290349    -14.26278472
  H     11.59736054      6.72540518    -10.63510748
  O     14.94445289      6.07045763    -16.93988703
  H     15.03901613      5.52326962    -12.44320497
  H     12.34048744      5.88877852    -11.69564583
  O     17.17258936      6.73139977    -15.31242549
  H     13.85287900      6.18040777    -13.18144809
  H     18.97361185      9.12133615    -13.75557717
  O     13.93208955     11.66285516    -15.61542913
  H     15.89986934     10.35905626    -11.50006170
  H     18.98224009      8.27635791    -12.45284587
  O     15.62874095      8.68226975    -14.16058896
  H     14.86217242      9.22649626    -11.23896014
  H     16.33104722      7.92266140     -9.76463705
  O     11.96921950      8.17000121     -9.41802557
  H     14.96138536      7.85165825    -17.68099717
  H     17.39267717      9.03426295     -9.93343401
  O     18.78121795      6.69090479    -11.39746411
  H     14.04638537      9.09489380    -17.73845444
  H     11.64190424     10.11315304    -17.80587778
  O     11.46175328      6.17933759    -11.41965141
  H     17.46050320      5.70807982    -12.30853738
  H     11.97821690      9.47773092    -16.43912664
  O     18.98325153      9.17993387    -12.79464639
  H     16.98419960      5.60875700    -13.75815028
  H     14.44333083      7.03804691    -10.99627700
  O     17.27253283      8.11741740     -9.65791330
  H     19.61842165      8.73719209    -16.21681938
  H     13.72038584      7.86312543     -9.89041437
  O     12.36880802      9.83747835    -17.25239941
  H     18.36195044      8.04638040    -15.64049961
  H     13.59221405     10.56226487    -12.68697227
  O     14.57314907      7.71673587    -10.31858244
  H     14.36275745      6.31451868    -16.19885201
  H     13.18810007     11.23624993    -14.01911095
  O     12.83048786     10.78395232    -13.24083621
  H     14.61744516      5.24467897    -17.28712235
  H     10.39225296      7.09979777    -12.44427810
  O      9.82540493      7.71555958    -12.94321220
  H     16.55149793      6.40786807    -15.97618720
  H      8.94079837      7.36190734    -12.91129165
          69
 Energy    -248.41434315553602     
  O     14.98922949     14.13929072    -15.30232553
  H     14.80386963     13.74467013    -16.16323336
  H     14.89805356     10.99278913    -15.02120456
  O     17.55136739      8.94783110    -16.61560905
  H     15.36817336     13.42267958    -14.76448358
  H     17.65913383     10.72081400    -16.93780469
  O     14.63375439      9.95743074    -11.59793162
  H     16.69491882      8.53095906    -16.45726752
  H     16.78495921     11.95863859    -17.21150235
  O     18.54937138     15.45672787    -13.56834980
  H     18.08104540      8.72248363    -15.84158531
  H     14.57873142     11.69662163    -16.95868751
  O     15.12295957      7.96723293    -15.50263337
  H     13.95019940     10.26284307    -12.20957719
  H     14.48237440     12.29918328    -18.38248075
  O     13.11042869      7.71461321    -10.85817610
  H     15.09683612     10.74245796    -11.27583614
  H     18.68319445     12.43742337    -12.73466134
  O     14.66858411      5.89385105    -12.11473045
  H     19.26695986     16.07896992    -13.65547906
  H     18.52750621     13.92672367    -12.42419841
  O     15.94150216     11.94551067    -13.95220451
  H     18.40600869     15.07109584    -14.45031504
  H     13.38777093     13.80804700    -14.03765869
  O     12.61236531     10.75813891    -13.43526642
  H     14.33931070      7.42725720    -15.32629345
  H     13.27801868     13.90982367    -12.50781061
  O     16.23898459      8.08474033    -12.90368531
  H     15.56913508      8.04309760    -14.64790390
  H     17.87132977      8.37043388    -13.53851088
  O     18.64649669     11.35704230    -14.29089404
  H     12.36813803      7.88314306    -11.45261910
  H     19.36392319      7.97611924    -13.63894871
  O     14.28263064     10.56423930    -15.63880787
  H     13.65644048      8.51224096    -10.89998847
  H     12.36674245      7.15063706    -13.98278337
  O     17.66492263     11.69119346    -16.92232793
  H     14.09839441      6.47127720    -11.57448537
  H     13.53437684      6.19773125    -13.68127549
  O     14.90051320     12.41389289    -17.53303374
  H     14.74970775      5.06793075    -11.64599505
  H     14.90692048     15.21510138    -11.84521995
  O     18.45436689     13.05163693    -12.02439988
  H     16.87619984     11.74974696    -14.09340953
  H     14.11192811     15.34086638    -10.52146335
  O     12.88490536     13.48765662    -13.28204430
  H     15.82583849     12.07730756    -13.00329777
  H     16.86384606     14.46494149    -15.88682777
  O     18.70678553      8.56911961    -13.99416366
  H     13.06180774     10.62506439    -14.28129666
  H     17.97411249     13.53584432    -16.38605553
  O     13.02052313      6.57943212    -14.40382359
  H     12.57614180     11.71627912    -13.30161565
  H     16.85172980     12.61195283    -11.34028622
  O     14.39287947     14.71618549    -11.18446764
  H     15.82989443      7.25274842    -12.63084022
  H     15.41488903     13.16381185    -11.05676637
  O     17.82092152     14.39737285    -15.98051164
  H     15.75651696      8.79120350    -12.45148495
  H     10.34721619      8.49773256    -13.00532239
  O     15.92791243     12.35701398    -11.18835672
  H     18.48114896     11.49679379    -15.23297868
  H     11.67593507      9.27639155    -13.12221593
  O     11.29458596      8.39837859    -12.95344808
  H     18.75823702     10.40622421    -14.15957538
  H     16.73247069     15.83732725    -13.24351481
  O     15.76945463     15.88580971    -13.19205871
  H     14.53229044      9.63154446    -15.69178058
  H     15.43887860     15.47345940    -13.99981581
          69
 Energy    -248.41410048450263     
  O     -5.16747280      3.90492111      2.35213474
  H     -6.01895489      3.95268239      2.77820815
  H      2.26649482      3.28243752      3.11977089
  O     -3.14224508     -2.44497167      1.01535979
  H     -4.53799719      4.38023637      2.92562271
  H     -3.67870429      4.82596255     -1.28379130
  O     -0.69632021      4.20974517     -1.01582302
  H     -3.80841177     -3.12692974      1.03492118
  H     -3.68891241      4.84761754     -2.83410035
  O     -3.11698592      1.71889859     -1.22988362
  H     -3.26852051     -1.95446728      0.18331676
  H     -0.37415213     -1.78427158     -1.29720743
  O      1.51592492      0.28851034      4.55486313
  H     -0.40853194      3.34198420     -1.32814616
  H     -0.09101478     -1.85659464     -2.81614143
  O      0.09760056      6.07684336      0.99742358
  H     -1.53486415      4.38866571     -1.46073582
  H     -1.12688713      3.57533570      3.19049609
  O     -1.28209695      3.09369474      1.51073850
  H     -2.15610954      1.60539666     -1.28189978
  H     -1.11427617      2.89171575      4.57681289
  O     -1.19478464      1.14336336      4.98510140
  H     -3.30719418      2.58214623     -1.61571728
  H     -1.44886556      6.72676819      1.46513618
  O     -3.25115376     -1.09400958     -1.35052540
  H      2.02959816     -0.34295072      5.05293832
  H     -2.28279031      7.99885814      1.73742132
  O     -2.40124325     -0.37424148      2.80334687
  H      1.17030155     -0.18572708      3.77943462
  H     -3.63239893      1.69192171      0.51394093
  O      0.31719108     -0.73362034      2.29792743
  H      0.03282190      5.48178186      0.23979469
  H     -4.28049630      2.40748160      1.75759981
  O      2.62879268      2.41233315      2.90981590
  H      0.60069394      5.62359480      1.68408045
  H     -2.97441678      5.97046818      3.13948624
  O     -3.31478326      4.39874106     -2.08138624
  H     -2.12234664      2.61772525      1.48975258
  H     -2.55904727      4.79600560      4.04957375
  O     -0.50253850     -1.31991020     -2.14403663
  H     -1.20226114      3.59708660      0.69174093
  H     -0.31794982      0.51886154     -1.82994407
  O     -1.03274428      3.75181064      4.14101510
  H     -0.27765348      0.84214578      4.96454068
  H      0.22315118      1.40785170     -0.68621649
  O     -2.33307909      7.04674604      1.71556639
  H     -1.68085855      0.57035712      4.38024483
  H      1.64429081      5.57284315      3.99499322
  O     -3.67191744      1.71018291      1.48112261
  H     -3.39539559     -0.13964537     -1.37297274
  H      0.50515330      4.55231308      3.77226560
  O     -3.32363566      5.30043617      3.74062050
  H     -2.38564310     -1.23026100     -1.75633049
  H     -4.60579938      4.96127140      0.87945627
  O     -0.32499761      1.42055514     -1.48593399
  H     -2.87759330      0.36638468      2.40124829
  H     -3.55743344      6.07695938      0.68187889
  O      1.31625295      4.91972074      3.38094325
  H     -2.70404328     -1.15893590      2.32875533
  H      1.67666737      1.86758815      1.49338434
  O     -4.16299902      5.49292854      0.20768798
  H      0.58526167      0.01813353      1.74829257
  H      0.16619818      2.07821047      1.22148672
  O      0.94173114      1.57013900      0.93869516
  H     -0.62380111     -0.61081229      2.49287575
  H      0.02818041     -2.03163062      0.97857442
  O     -0.37348997     -2.55440440      0.27207736
  H      2.31738445      1.80650115      3.59370482
  H     -1.28822234     -2.69178883      0.54801438
          69
 Energy    -248.41409828902846     
  O      2.02592183     -2.31950348      4.62389130
  H      2.32484025     -1.40140888      4.64736240
  H      1.88992093     -0.99263770     -0.20156369
  O     -3.72189209     -2.55343258      6.60112520
  H      1.44000730     -2.40976426      3.86014206
  H      0.21008227      3.61914376      2.02273695
  O     -1.26743417      0.12926210      9.05726791
  H     -2.98140777     -2.97562042      7.06102277
  H     -0.14633549      2.11371903      2.03629926
  O     -0.08186237     -5.56012101      6.32102875
  H     -3.76997797     -1.65574233      6.94744388
  H      0.32724115      2.37687887      4.27967326
  O      0.19305540     -2.47093136      2.54467724
  H     -0.55437660      0.60719276      8.62028023
  H     -0.52344687      1.44486424      5.18809368
  O     -1.05018648     -4.57123879      3.99117610
  H     -0.88511556     -0.70084576      9.36892722
  H     -0.20957882      0.20857655      0.87158145
  O      2.34969547     -4.09048718      6.73097765
  H     -0.40614513     -5.23256117      5.46234195
  H     -1.46824390      0.18250914      1.76368991
  O      3.10884069      0.34751576      7.71005040
  H     -0.12527608     -6.51174461      6.28365223
  H      0.59530112      2.71458712      8.25849944
  O      2.31999995     -2.23881895      8.76289104
  H      0.63081854     -2.03928200      1.80107292
  H      0.59108059      1.97031095      6.90532139
  O     -0.09846034     -2.33445591      9.90277407
  H     -0.59660936     -1.94591107      2.73829205
  H      1.97295327      1.72977031      2.23362530
  O     -2.17155600     -1.01021257      3.00011215
  H     -0.53267430     -3.99045332      3.41979761
  H      2.81966678      0.76985232      3.08606822
  O      1.38806291     -0.83736967      0.59380708
  H     -1.93982822     -4.19760431      4.00221649
  H     -0.59016997     -2.24738426      6.70460065
  O      0.37946890      2.80211860      2.48370191
  H      2.36687332     -3.53938221      5.93495320
  H      0.56613745     -1.87859623      5.74182915
  O      0.29530082      1.96457778      5.15134196
  H      1.59141365     -4.67519246      6.62218034
  H     -4.40653827     -3.64295120      3.74513521
  O     -0.90324516      0.76827908      1.24172477
  H      2.30445318      0.87130106      7.85336968
  H     -3.66791041     -2.97826487      4.93071047
  O      0.77128975      1.86730022      7.85503705
  H      3.80181742      0.75878868      8.22253144
  H     -2.77568756      0.11769105      8.17742038
  O      2.61310200      1.00996076      2.17328551
  H      2.62518685     -1.42043220      8.35978241
  H     -4.24319253      0.59941138      8.09561339
  O     -0.20651767     -1.52504007      6.19486425
  H      2.39301712     -2.92831599      8.08433560
  H     -0.94414653     -4.32795287      7.39718028
  O     -3.58330965     -3.23117814      3.99330924
  H      0.79498854     -2.29665789      9.51290930
  H     -0.97321989     -3.27462598      8.56332078
  O     -3.56881624      0.13114995      7.61160268
  H      0.00822445     -2.61125548     10.80850230
  H      1.80393585      0.87076386      4.97184184
  O     -1.42154163     -3.57086476      7.76104344
  H     -2.73919516     -1.75975134      3.21809829
  H      2.97774663      0.34319183      5.82203563
  O      2.64319948      0.39211106      4.91852895
  H     -2.11884424     -0.47296215      3.80404887
  H     -1.27513626     -0.34543715      5.67450350
  O     -1.88172807      0.35983060      5.37781896
  H      1.90634210     -0.21693971      1.13701466
  H     -2.57724779      0.41526225      6.04110384
          69
 Energy    -248.41406398219806     
  O     12.61245663      5.61529623    -11.65344646
  H     13.22073439      5.09518938    -12.19299451
  H     15.93689416      5.53256487    -16.18161899
  O     16.56590708     10.58619928    -14.75723022
  H     12.08772604      6.15167246    -12.25821772
  H     16.96727356      6.05728418    -14.44482341
  O     17.38819531      8.84375768    -12.75405985
  H     16.14706997     11.30658249    -14.27123860
  H     18.41695831      6.54094664    -14.68499599
  O     15.08649471     12.59115481    -13.36792430
  H     15.86449843     10.15711855    -15.26645208
  H     14.48316880      7.91981507    -11.67415240
  O     13.97284271      7.35075993    -10.01441357
  H     17.22783703      9.48681479    -13.45757924
  H     15.61814193      8.50768512    -12.56434000
  O     14.47852508      9.45443120    -16.32285132
  H     17.59614518      7.99780689    -13.17445128
  H     14.21729823      9.18890520     -9.63076708
  O     13.05203108     11.39822872    -15.03785836
  H     15.41868927     13.47846399    -13.25005305
  H     15.58175909      9.88492922     -9.68327836
  O     16.93999482      6.17036802    -17.51750063
  H     14.60159750     12.36976948    -12.55717888
  H     14.44978210      3.12531776    -13.25466663
  O     11.18373910      7.50187206    -13.39136347
  H     14.78505137      6.94294769     -9.68512984
  H     14.89440828      4.43007817    -13.94863104
  O     16.84035102      5.07434991    -11.66960572
  H     13.44217224      6.66482594    -10.44573545
  H     12.59132410     10.62123583    -12.10427341
  O     13.59448397      7.29074272    -14.83284743
  H     14.14594515      8.65871056    -15.88621057
  H     13.27752187      9.37163212    -12.67247695
  O     15.48056843      5.37385810    -15.34247894
  H     13.91818365     10.18807363    -16.03000896
  H     16.88931642      5.86951549     -8.62372277
  O     17.75995108      6.38136769    -13.99580373
  H     13.69686411     11.97349359    -14.60946922
  H     16.68781788      5.89433049    -10.15729252
  O     14.68407605      8.26897156    -12.55260777
  H     12.69100637     10.85975381    -14.32078619
  H     20.27678162      7.00028045    -16.42593574
  O     14.63127941     10.06093476     -9.62143045
  H     16.63894639      7.00269059    -17.90229831
  H     19.07078998      7.96736503    -16.34818430
  O     14.57046258      4.06129178    -13.11007808
  H     17.82435397      6.34913059    -17.17471229
  H     17.09234437      8.21455816     -9.68130406
  O     12.45123051      9.88026689    -12.70417237
  H     10.23529981      7.55930715    -13.47620980
  H     17.41333542      9.09169953    -10.90468752
  O     16.52765944      6.39116222     -9.33498277
  H     11.48994340      8.37556757    -13.09629399
  H     15.49934845      9.05845972    -17.70040324
  O     19.35165354      7.04624470    -16.20117134
  H     16.05701106      4.66887453    -12.05936775
  H     15.82995244      9.11278005    -19.20994190
  O     17.21410441      9.13058394     -9.95949876
  H     17.31597926      5.48648242    -12.40202105
  H     17.89092021     10.01590896    -16.00414723
  O     16.15512037      8.79849957    -18.37028672
  H     12.66734829      7.24049070    -14.57685979
  H     17.68344291      9.35191493    -17.37625420
  O     18.34729680      9.51918498    -16.69453754
  H     14.06796558      7.56581228    -14.02908152
  H     13.09504823     12.57270803    -10.53491511
  O     13.54449582     11.96743433    -11.11809976
  H     14.76588381      6.02408682    -15.27595611
  H     13.96927194     11.29602831    -10.54995719
          69
 Energy    -248.41384459127110     
  O     11.25875622      3.87855844      2.03558961
  H     11.76940385      3.27565337      1.48072826
  H     10.42454565      3.10395798      3.35405740
  O      7.19814612      3.34322228      3.72965415
  H     10.89902652      4.55224534      1.44774007
  H      6.57655778      3.53267672     -3.23181560
  O      4.03942944      2.52768895      0.49216948
  H      8.09831602      3.09541510      3.96776379
  H      6.40503804      2.10204496     -2.68057151
  O      7.11536341     -1.14034406     -0.42401111
  H      7.29719572      3.97249747      3.00230945
  H      4.84477762      4.16751570      0.02767225
  O      6.77557147     -0.89625702      2.40489319
  H      3.10512398      2.37642296      0.60197407
  H      6.12037834      4.94982984      0.41461395
  O     10.36530703      0.69622771     -3.22660303
  H      4.47294585      2.20652419      1.30524500
  H      8.39995328      5.19481711     -2.33536404
  O      9.11512298      0.45754727      2.47435777
  H      6.94537459     -1.16835935      0.52490282
  H      9.68669328      4.89625496     -3.15223008
  O     11.08553014     -0.35869500      0.80177994
  H      6.65591868     -0.35292326     -0.74650933
  H      8.19027777      1.47688907     -5.92226498
  O     10.18631402      4.10604127     -4.69491601
  H      6.73890832     -1.56653291      3.08253885
  H      7.84709521      2.07748564     -4.53766113
  O      6.08142999      1.37305721     -1.05537622
  H      7.63590738     -0.44939913      2.49950292
  H      8.70701768     -1.28988340     -1.09429408
  O      6.58648255      5.29968342     -2.57526339
  H      9.71512248      0.90577961     -3.90825441
  H      9.74192372     -2.29417201     -1.64279602
  O      9.96638953      2.59966549      4.04979644
  H     10.03932054     -0.06259346     -2.72422948
  H     11.77405878      2.32740925     -0.41198788
  O      6.64698714      2.60195587     -3.47220915
  H      9.44385287      1.12214662      3.09158053
  H     13.30484803      2.13813345     -0.27605517
  O      5.38005920      4.93422712     -0.20866953
  H      9.86224148      0.11096674      1.96197939
  H     10.02607650      3.48014228     -1.73168457
  O      9.36110001      5.11487587     -2.26679651
  H     11.64957993      0.38970605      0.57376769
  H     10.38661902      1.99191860     -2.08331038
  O      8.58305055      1.82192476     -5.12563257
  H     10.67566212     -0.67188116     -0.01416252
  H      5.75804999      0.72131137      2.58095919
  O      9.60749144     -1.36801942     -1.45642342
  H     11.07313730      3.85939389     -4.94988602
  H      5.95900083      2.17242417      3.09627909
  O     12.48463568      2.07956140      0.20714431
  H      9.63542887      3.33539583     -4.89859128
  H      8.54016487      1.58958642      1.10378280
  O     10.38427293      2.65839617     -1.37833636
  H      5.29510291      1.70932967     -0.60879245
  H      9.05132714      2.27902743     -0.20148731
  O      5.33958413      1.58694161      2.63659644
  H      6.84366178      1.68061180     -0.54003844
  H      7.86966802      3.81304906      1.01674249
  O      8.29172533      2.18796507      0.38882850
  H      6.13383837      5.99632194     -3.04313868
  H      8.45339914      5.24115399      1.08032296
  O      7.68504717      4.71532136      1.32440216
  H      6.11429046      5.17647516     -1.73169390
  H     10.35760085      6.79136641      0.31239869
  O     10.07935848      5.87839416      0.29783123
  H     10.48862281      2.69034102      4.84221873
  H      9.87903822      5.66593060     -0.62829831
          69
 Energy    -248.41381961159863     
  O     -3.45614090      0.37553160      1.75613161
  H     -3.96108074      1.19561413      1.65234399
  H     -0.11818358     -0.02462015      2.12208705
  O     -0.46309391      3.13786411      1.42162947
  H     -3.11425050      0.18217296      0.87294404
  H     -4.51046159     -2.77198729      1.59828130
  O      0.77680788     -0.06524587      4.84003629
  H     -1.17208030      3.78261307      1.31014641
  H     -3.75031312     -1.43081105      1.69031629
  O      1.30895966     -3.88583859      0.42812993
  H     -0.30609003      2.75332433      0.54733244
  H      3.32555315     -0.69509437      1.23796453
  O     -2.95352021     -0.61717997     -0.87136000
  H      0.68695426     -1.01886732      4.70047607
  H      3.16585585     -0.18303611      2.72370007
  O     -4.25610925      1.64621714     -1.75480414
  H      0.00604505      0.35199317      4.43391111
  H     -2.00829486      0.80919410      2.81916929
  O     -4.61666524      2.69992578      0.92394951
  H      0.43603070     -3.76667231      0.82520619
  H     -0.90349967      1.87575841      2.64318902
  O     -2.22132694      3.65135064     -1.74230344
  H      1.92419218     -3.91073416      1.17140900
  H     -1.93217579     -2.91809727      1.67732270
  O      0.08354940      2.16236183     -1.17587011
  H     -2.00377002     -0.68218996     -1.05195295
  H     -0.56214234     -2.19155748      1.71670985
  O      1.85520572     -2.34332164     -1.73549858
  H     -3.21680339     -1.40549717     -0.38429497
  H      2.54095351      2.37699613      2.53638537
  O     -0.23098640     -0.59385229     -1.14950983
  H     -3.82629898      0.80875706     -1.51535720
  H      1.38397573      3.10184827      1.79953821
  O      0.30827955     -0.62097074      1.49409525
  H     -4.89328337      1.44141974     -2.43493123
  H      3.04740787     -2.62591897      2.55558556
  O     -3.70907911     -2.33112215      1.32646691
  H     -4.63726414      2.42853988     -0.00244745
  H      3.77421151     -3.90284831      3.04090864
  O      3.04841169     -0.93789433      2.13529925
  H     -4.01651518      3.45497460      0.96079689
  H      1.38670394     -3.15954334      3.86216850
  O     -1.14083770      1.08238612      3.14463130
  H     -2.90816950      2.98504940     -1.86815301
  H     -0.09962080     -3.00383110      3.54408179
  O     -0.99080513     -3.05543145      1.82333455
  H     -1.38386773      3.17042434     -1.68350618
  H      2.18260152      0.76245231      4.32776891
  O      2.33056700      2.91222509      1.76213662
  H      1.03908087      2.30292138     -1.18008554
  H      3.52397619      1.45674809      4.66730995
  O      2.92828200     -3.57304396      2.75013774
  H     -0.05157369      1.20991208     -1.26938058
  H      2.99773488     -0.97408031     -0.99451504
  O      0.56484633     -2.79548629      4.21213584
  H      1.67918808     -2.92651431     -0.97433084
  H      3.28516335      0.53082960     -0.71325133
  O      2.96537990      1.19706840      3.93999157
  H      2.13333841     -2.90679039     -2.45232319
  H     -2.76853404      5.71647541      0.65175609
  O      3.53361056     -0.36876843     -0.46815583
  H     -0.02759638     -0.56800162     -0.19912444
  H     -2.49652904      4.47035990     -0.22807794
  O     -2.63673425      4.77300224      0.68827549
  H      0.41494300     -1.19392696     -1.53922345
  H      2.74212592      2.58218265      0.11729660
  O      2.85322389      2.38174197     -0.83079415
  H      1.22536611     -0.74419567      1.76794530
  H      3.48510509      3.00906772     -1.17214203
          69
 Energy    -248.41359055556009     
  O      1.20367813     -0.00405544      1.25978808
  H      1.27405861      0.12707267      0.30023438
  H     -1.25889829      2.49820592     -0.10404835
  O     -0.81913932      1.76535906     -5.31907457
  H      1.61730362      0.76708924      1.67423219
  H      1.67787938      4.18647948     -5.32537321
  O     -1.32598173      1.14164631      1.12630035
  H     -0.09391632      2.38876312     -5.19125121
  H      2.17403168      2.80802376     -4.82193379
  O      2.34847171      4.14699194      0.19278355
  H     -1.43266234      1.91673108     -4.58932181
  H      2.39338085      2.93493144      1.56998876
  O     -2.32957670      1.82439684     -2.87953580
  H     -1.98564538      0.50849163      0.81968122
  H      3.30208010      1.97733345      2.37422415
  O      4.87961612      2.95040988     -0.28437668
  H     -0.49727038      0.65102679      1.22753043
  H     -3.91280616      1.16243668     -2.27247326
  O     -0.25388713      3.16887460      2.81796669
  H      2.05153892      3.74939822     -0.64040214
  H     -5.39434310      0.75224475     -2.32713295
  O     -1.08283426     -0.58940652     -2.21163085
  H      1.61156641      4.69059382      0.49444974
  H      4.65802898      0.39016662      1.53647609
  O      3.85906859     -0.76103007     -2.10028375
  H     -2.03466513      2.43658944     -2.19246131
  H      5.67802443      0.94963314      2.55743316
  O      3.88361058     -0.96540013      0.75429855
  H     -1.86376795      0.98764099     -2.72329587
  H     -0.48937592      6.03546561      1.39388155
  O      2.82363724     -1.13929444     -4.68198524
  H      4.11202035      3.50925166     -0.11345127
  H     -0.24062202      4.54992194      1.75230767
  O     -1.20458874      3.23409082     -0.73229055
  H      4.99490062      2.39927540      0.50015851
  H      6.25131469      1.68323484     -2.76605827
  O      1.43644359      3.44444196     -4.77784648
  H     -0.76238589      2.46316945      2.39731295
  H      5.15018454      2.12467843     -1.77752814
  O      2.39642639      2.30174349      2.30297076
  H      0.65696834      2.84853361      2.86645678
  H      1.40404278      1.27354213     -1.70743536
  O     -4.60749456      0.68262347     -1.79314733
  H     -1.63638440     -0.80710843     -1.45454162
  H      2.23770089     -0.04506750     -1.69942185
  O      4.97941135      1.20560089      1.96160331
  H     -0.21189060     -0.32108403     -1.88048770
  H     -3.66888799     -0.27822744     -0.64686746
  O     -0.17371117      5.20961131      1.03758657
  H      4.43229590      0.00565239     -2.23961927
  H     -3.46709816     -1.51258658      0.26557011
  O      5.32033908      1.59625918     -2.57701645
  H      3.55847487     -1.04336440     -2.97496279
  H      3.23671240      0.71149822     -4.79333407
  O      1.39300064      0.34383978     -1.44218512
  H      2.95081379     -0.88350077      0.98827523
  H      4.09840712      1.72400727     -4.01060582
  O     -3.02260887     -0.74806675     -0.09153695
  H      3.92096866     -1.04329837     -0.20751587
  H     -0.32756404     -0.91682275     -3.92530034
  O      3.44273700      1.65094923     -4.71489871
  H      1.85426141     -1.03572674     -4.70119026
  H     -0.16057086      0.07038869     -5.08761946
  O      0.16272820     -0.77493291     -4.74367074
  H      3.04288727     -1.75915942     -5.37232513
  H      0.32316134      3.12320367     -1.70283865
  O      1.22451621      3.01706375     -2.04000543
  H     -0.98057134      4.01758139     -0.21594152
  H      1.23825572      3.24409243     -2.97765461
          69
 Energy    -248.41355909686916     
  O      1.88784804      1.68758516      4.49456033
  H      2.56807268      2.20927172      4.91167655
  H     -3.13037303      1.77345611     -0.61257117
  O      1.06057512     -1.44625363     -3.15847802
  H      1.18475947      2.30629139      4.22371810
  H     -1.67053727      0.57590761      5.50202312
  O     -0.00852363     -0.01816993      5.76987653
  H      0.58134518     -1.59777231     -3.96847118
  H     -2.66294147      1.73657330      5.13204337
  O     -0.51979515     -1.05692015     -0.92684131
  H      0.39310340     -1.37265659     -2.45683311
  H     -0.00271195      1.93796357      0.66479911
  O      2.56171988     -2.41257869      0.62686079
  H      0.01142484     -0.78222380      5.18226609
  H     -1.45216600      2.55477496      0.58164908
  O     -4.18628626      2.66053888      2.45662661
  H      0.68611510      0.57232071      5.45191034
  H     -3.49250429     -0.40173330     -0.43319725
  O     -2.48044519     -3.25880760      4.16683119
  H     -0.49278404     -1.79654262     -0.30722051
  H     -2.18015093     -0.25483585     -1.19801820
  O     -0.11940597      3.29630569      3.69798044
  H      0.05244610     -0.37480525     -0.54846523
  H     -2.17643747      0.45804381      3.36744016
  O      3.10407421     -0.59211828     -1.57368489
  H      2.58905170     -1.78457238      1.36011817
  H     -1.45152670      0.92387435      2.06888095
  O     -5.37055357      0.16690446      2.84344461
  H      2.82855342     -1.90816760     -0.15022446
  H     -0.14784183     -2.71758733      1.89240862
  O     -4.33820976     -1.28570128      5.12652142
  H     -4.66818150      1.83000729      2.58579931
  H      0.84743342     -3.03125595      0.76259658
  O     -3.09280102      2.67373683     -0.24242914
  H     -3.88766423      2.67446607      1.54191021
  H      1.28482986     -0.96995058      2.97472156
  O     -2.56405197      0.77847435      5.18548674
  H     -2.72807075     -3.58545130      3.29407220
  H      2.07057076      0.33200104      3.23404528
  O     -0.71269985      2.35565958      1.17010593
  H     -3.18286497     -2.66119128      4.45391383
  H     -3.32885928      3.25722656      3.81157458
  O     -3.06529519      0.12448648     -1.12367644
  H     -0.28990266      3.08046269      2.76961763
  H     -3.27457173      4.22433812      5.01965247
  O     -1.81317630      0.15448108      2.52492788
  H     -0.98548215      3.45543436      4.08950307
  H      2.00319785      0.48077990     -0.46438374
  O     -0.09103849     -3.08004066      0.99774005
  H      3.92712602     -0.45350821     -2.03460996
  H      1.54404009      0.39224844      1.01264642
  O      1.96911353     -0.39531802      2.60600826
  H      2.46141101     -0.90826846     -2.23230627
  H     -0.75903008     -1.08943279      3.13829366
  O     -2.81771331      3.49637488      4.60801363
  H     -5.19326782     -0.31561847      3.65853630
  H     -0.93648067     -2.43630015      3.88036562
  O      1.31490355      0.76656617      0.14857378
  H     -4.99185400     -0.38866398      2.14837762
  H     -1.76366994     -3.77607395      1.13933731
  O     -0.26593264     -1.83570680      3.52009333
  H     -3.72321050     -0.53805533      5.22809421
  H     -2.90602946     -4.79880027      0.95709401
  O     -2.69260669     -3.95871203      1.35602620
  H     -4.77057266     -1.39786352      5.96997193
  H     -3.49353891     -2.25810032      1.17067454
  O     -3.74298984     -1.32840523      1.13593310
  H     -3.45954962      3.25764735     -0.90066186
  H     -3.05746736     -0.83392555      1.61228556
          69
 Energy    -248.41341827168540     
  O     10.66560592     11.20023019    -12.50844175
  H     11.41707542     11.21823839    -13.12171700
  H     19.88560632      6.22292162    -15.23136734
  O     14.55653825      6.92056494    -15.12713780
  H     10.10022951     11.92411968    -12.76608696
  H     14.90365939     12.59749135    -16.54289418
  O     17.01962268     11.41381160    -11.28228716
  H     14.86426383      6.88463222    -16.03977022
  H     15.64308193     11.42340310    -15.86516840
  O     17.77917196      8.50236779    -16.85229484
  H     15.10316334      7.58373390    -14.67608092
  H     16.42884524      9.41024492    -14.36809597
  O     12.25705958      8.49283823    -15.22209721
  H     16.11178343     11.17684995    -11.51604202
  H     15.52978924      9.29848269    -13.10801242
  O     15.78984027      7.58875249     -9.67068907
  H     17.27537830     10.80508879    -10.57748986
  H     10.57919212      9.72050175    -11.55044555
  O     13.65732574      6.09564129    -12.62169358
  H     18.24112474      7.78869068    -16.39059399
  H      9.86821179      8.90262658    -10.44620024
  O     14.54460834     10.39026629    -12.04937215
  H     17.00038450      8.10298785    -17.25730754
  H     18.98827591      8.99308778    -10.88187100
  O     15.32456619      7.39898871    -17.80691704
  H     13.05393545      7.94366725    -15.23961509
  H     19.36465116      9.55180217    -12.26919136
  O     16.12516241      5.33624737    -11.41662891
  H     11.64356135      8.03345782    -14.63250913
  H     10.74527237      7.59040676    -12.50104875
  O     17.18130986     10.69926341    -15.41991710
  H     14.89475493      7.86337272     -9.90808095
  H     11.76128262      6.53508657    -12.98232891
  O     18.97228336      6.47015786    -15.35810867
  H     15.94258516      6.76629121    -10.15030299
  H     18.19328292     11.34303519    -12.54907620
  O     14.76363113     11.75819556    -16.11124874
  H     14.42257752      5.70334691    -12.18345927
  H     19.50765214     11.90442267    -13.14259407
  O     16.01127878      8.78192768    -13.76592690
  H     13.93504177      6.26708485    -13.53313731
  H     17.15804536      7.56053684    -13.16684773
  O     10.59075736      8.87606100    -11.06804650
  H     14.09737971      9.69569746    -11.54641841
  H     18.49360139      7.46536595    -12.40029568
  O     19.46213376      8.78105123    -11.69741994
  H     13.93667275     10.67885555    -12.74230025
  H     17.08198791      8.74277790     -9.51690837
  O     10.98137113      7.03528111    -13.25379052
  H     15.16099196      6.94040215    -18.62672986
  H     18.03187592      9.45998494     -8.53265774
  O     18.87156440     11.19940289    -13.23516484
  H     14.72271927      8.16430288    -17.78731260
  H     14.00600474     10.29919404    -17.11853564
  O     17.81993663      6.93003709    -12.84517058
  H     16.77816111      5.82757573    -11.94496815
  H     12.95949551      9.19993068    -16.84976935
  O     17.80677320      9.39004557     -9.45655168
  H     16.49991002      4.47583862    -11.24657235
  H     13.40648663      7.51244036    -11.48254079
  O     13.61895015      9.49790963    -17.49055814
  H     17.50047158      9.98016192    -15.99158305
  H     12.37526355      8.44233867    -10.78614242
  O     13.31505472      8.23187553    -10.84056729
  H     17.85315115     10.90163934    -14.75681830
  H     13.46541988     11.36249718    -14.82056757
  O     12.85137099     10.97231957    -14.18742279
  H     18.59213324      6.53818298    -14.46951339
  H     12.61691824     10.09517914    -14.52979212
          69
 Energy    -248.41328132087651     
  O     12.61376397      7.41301599     -9.99364003
  H     11.84699378      7.29505622     -9.44044511
  H     14.96090692      8.12580459    -16.70618362
  O     16.99102852      5.54254397    -13.29826438
  H     13.00943838      8.27095879     -9.74882777
  H     15.87634626     10.48550179    -14.80178234
  O     13.41812654     11.65561614    -11.47100852
  H     16.26563267      4.92507500    -13.14750433
  H     15.41615348     11.79811117    -14.13653677
  O     15.89710717     12.65565767    -12.56324541
  H     17.21458593      5.50245804    -14.23914935
  H     16.14748975      7.09525633    -12.70271577
  O     11.57956118      6.73038483    -16.45561498
  H     13.00626319     11.27404813    -12.25596423
  H     14.80255827      7.88179239    -12.54055031
  O     17.20076073      6.37760828     -9.34654999
  H     14.24116951     12.05504052    -11.77687294
  H     13.99360316      6.11185133    -10.19531654
  O     13.54971057      6.00459911    -14.65196397
  H     16.17393363     13.55283604    -12.39679351
  H     15.49722481      5.77004909    -10.02226569
  O     12.69555918     10.30244753    -13.86926829
  H     16.57537332     12.07732233    -12.17087020
  H     19.01117124      7.50574511    -11.95768988
  O     14.16388608      9.70263071    -17.06202511
  H     12.23375287      6.37382398    -15.83440460
  H     18.28743363      6.16402235    -12.17399948
  O     17.43101467      5.53154458    -16.01840249
  H     11.59807770      6.15155808    -17.21429304
  H     14.45544963      3.21647251    -12.61070142
  O     16.96201307      9.01935720    -14.65774681
  H     17.82594000      6.46741643    -10.08860226
  H     14.58944838      4.58838398    -11.90825006
  O     15.40797814      7.35161445    -16.33474521
  H     17.68366180      5.97342542     -8.63064182
  H     18.34120992     10.42472390    -11.99608898
  O     15.18568408     11.16265054    -14.82641180
  H     13.88866314      5.25576979    -14.14962596
  H     17.33637148     10.38436439    -10.83339486
  O     15.76352629      7.95592658    -12.48555989
  H     13.27840679      6.65899298    -13.98761131
  H     18.51972475      9.07333180    -13.75235518
  O     14.67182091      5.46160782    -10.41506826
  H     12.15497495     10.08782552    -14.63901237
  H     20.04059359      9.25774893    -13.56437282
  O     18.80070581      6.66998347    -11.52683980
  H     13.55890549     10.58309184    -14.20722528
  H     16.18555494      8.69331318    -10.90883769
  O     14.61967841      4.14113700    -12.77447864
  H     14.51269982     10.36249814    -16.44885948
  H     16.73445350      8.21446994     -9.56102957
  O     17.73412186     10.97455493    -11.48870757
  H     13.21238150      9.67892331    -16.90615635
  H     14.73383088      9.58183449     -9.54516077
  O     19.22846467      9.10071491    -13.08821996
  H     17.97011633      5.38063596    -16.79002837
  H     13.60319202     10.47053609    -10.11650021
  O     16.42706256      9.00321132    -10.02071070
  H     16.73595865      6.15309162    -16.29039026
  H     11.41053801      8.48671779    -16.31193986
  O     13.78434730      9.75254750     -9.49271410
  H     16.52676447      8.75181496    -13.83043248
  H     10.61328204      9.76503897    -16.65960040
  O     11.41436400      9.45664045    -16.24370336
  H     16.58421417      8.44613401    -15.33547907
  H     12.82321760      8.72571278    -13.02078648
  O     12.99966456      7.82190756    -12.72401169
  H     14.77454738      6.89957112    -15.76147826
  H     12.72758057      7.72273729    -11.80364893
          69
 Energy    -248.41317623214289     
  O     14.38832659     11.93452710    -13.96676788
  H     13.90540891     11.21311961    -14.40377441
  H     13.99650359      4.83511717    -16.53663311
  O     15.40335729      6.20441908    -13.91734642
  H     15.09915429     11.52232395    -13.45411393
  H     19.69754084      7.82949333    -14.85254164
  O     18.38046929      8.78641268    -11.73810811
  H     14.70681542      6.30437799    -13.25420134
  H     20.38370195      6.59075249    -15.48255801
  O     18.40285052     10.93730874    -16.21998235
  H     15.57559315      7.10182934    -14.24882889
  H     15.37013546     12.05950041    -15.62555113
  O     12.25047871      7.37095988    -14.75226389
  H     18.21997993      7.92439672    -12.14865715
  H     15.25737581     11.40241514    -17.02185033
  O     15.04287450      8.15330676     -9.06350974
  H     18.27519732      8.65375407    -10.78788123
  H     14.94623931      9.07386740    -15.14958860
  O     13.36469152      6.82701981    -12.15539590
  H     18.97205453     11.57861599    -16.63848064
  H     16.37834841      8.62785935    -15.62687867
  O     16.22976131     10.25640954    -12.67664391
  H     17.50224801     11.30448367    -16.25894456
  H     13.11750434     11.98594769    -12.58754531
  O     15.16354383      7.79808304    -18.05835203
  H     12.48330469      7.12409640    -13.84745765
  H     11.66878394     12.07979070    -12.08676487
  O     14.50594822      5.46883140     -9.96524952
  H     12.73097929      6.76713322    -15.33037592
  H     17.57251927      5.66826396    -11.21734241
  O     17.67497390      8.31577872    -16.90712235
  H     14.75709820      7.24723230     -9.22971438
  H     17.50596438      6.35128029     -9.83863005
  O     14.11415821      5.75563854    -16.31322761
  H     14.61080640      8.69014013     -9.74195202
  H     19.33205047      9.38404686    -13.27019629
  O     19.53320414      6.95183845    -15.24625575
  H     13.50312466      7.74823694    -11.88751136
  H     19.22468501     10.04040957    -14.68149652
  O     15.86555339     11.86016027    -16.42966396
  H     13.61549911      6.28488270    -11.39675435
  H     18.55067700      6.34929675    -13.73292388
  O     15.79178634      8.70124412    -14.86549903
  H     16.12381604      9.72146912    -13.47914510
  H     17.08283643      6.13780599    -13.28636521
  O     12.52848842     11.73317607    -11.86043581
  H     17.00320574      9.89049191    -12.23117744
  H     16.78139800      8.20312177     -9.03333722
  O     17.20573645      5.57576696    -10.32877213
  H     16.09435815      7.87861951    -17.80949624
  H     18.09600540      8.33469837     -8.22786035
  O     19.72574249      9.40872991    -14.15216970
  H     14.79403531      7.08692370    -17.52121733
  H     14.42951416      9.37134277    -18.10921317
  O     17.98554815      6.26055680    -12.95700092
  H     14.28357794      4.70090974     -9.44559412
  H     13.62225625     10.46558551    -18.84841436
  O     17.75033472      8.11456969     -9.08845627
  H     15.46615035      5.43049121    -10.12353192
  H     14.77059028      9.68419089    -11.73697421
  O     14.03736366     10.25818464    -18.01578176
  H     18.00959283      9.21837755    -16.80935787
  H     13.34173385     10.16142456    -11.38527014
  O     13.94686144      9.41200285    -11.30940833
  H     18.29213434      7.73774863    -16.44091412
  H     12.79266230      9.01415765    -15.16959126
  O     13.28281931      9.82710810    -15.36204717
  H     14.62578802      5.77822681    -15.48769047
  H     13.32261892      9.95668287    -16.31785465
          69
 Energy    -248.41310584526610     
  O     -2.42156899      3.35394771      3.10542288
  H     -3.28774144      3.19993524      2.73936524
  H      2.77453001     -0.18644269      6.03185289
  O      3.91360224      5.60982722      1.65437020
  H     -1.88285326      2.56669136      2.89683711
  H      4.92812668      5.09107163      8.30491418
  O     -1.41388296      3.39247382      5.76386244
  H      4.49151051      6.16648432      1.13866010
  H      3.51415040      4.45837753      8.34910622
  O     -0.22569493      5.81893107      6.47179831
  H      3.43790883      6.19938564      2.26492557
  H     -0.83560126      5.67911719      9.99242194
  O      1.16776980      1.31410772      8.81898155
  H     -0.73472455      2.71528428      5.61257340
  H     -0.75721486      4.44996704      9.05228323
  O      1.66007850      3.83659951      4.06368335
  H     -1.92614704      3.43576753      4.94923331
  H     -0.08829728      1.30514982      1.97318446
  O      3.33599479      0.64001035      2.58803967
  H     -0.29820839      5.82348214      7.43414535
  H     -0.30775317      1.18344448      3.49883238
  O      2.14538365      3.95161415      9.25372577
  H     -0.61622428      4.98306036      6.17528098
  H      2.43676295      4.65191706      0.90755046
  O     -0.33503869      7.33853491      4.13452868
  H      1.68336230      0.99873755      8.05687724
  H      0.90952707      4.59462159      1.13031961
  O      2.54125303      7.18132949      3.43923756
  H      1.20644183      0.62061740      9.47340071
  H      1.19382259      1.13031652      5.62773354
  O      2.50580927      5.80598160      5.83548933
  H      1.03477404      4.26382003      3.46617312
  H      1.00236627      2.35894571      4.70858104
  O      2.61338224      0.54077644      6.65021388
  H      1.98226268      4.50220296      4.68639797
  H     -1.08887082      4.55183719      2.62866516
  O      4.22182855      4.76625426      7.75361092
  H      3.79960279      1.46596076      2.77357076
  H     -0.39908903      5.91136450      2.94904783
  O     -0.37728122      5.33047862      9.23288432
  H      2.64770447      0.86549991      1.95144189
  H      3.15712173     -0.57036515      3.86579812
  O     -0.77025641      1.28744647      2.65564854
  H      1.85100106      3.03833133      9.14489072
  H      3.51581219     -1.99264208      4.32386913
  O      1.63379880      4.19546126      0.62960868
  H      1.34710774      4.48821163      9.31577900
  H      4.45421336      3.28253161      6.56895253
  O      0.53812990      1.60387348      5.10580341
  H     -0.32497396      6.88731465      4.99439549
  H      4.52253497      2.77588940      5.10440144
  O     -0.30174753      5.08572072      2.45869483
  H     -0.88740301      8.10945242      4.23934155
  H      1.30475597      1.16046646     -0.14022801
  O      3.05960859     -1.20243247      4.59912130
  H      2.70684697      6.78724399      4.30867279
  H      1.46189870      2.46013761      0.67932173
  O      4.42409092      2.49034982      6.02103629
  H      1.60873746      7.41442489      3.46537207
  H     -1.44736776      2.96544616      7.58632311
  O      1.31949713      1.49997872      0.75107689
  H      3.12344137      5.50587234      6.51333207
  H     -0.48708646      2.25067770      8.57076324
  O     -1.22529677      2.87144033      8.52252553
  H      1.61853704      5.83456597      6.21745594
  H      4.38770407      3.99057181      2.68790342
  O      4.21661447      3.24607562      3.27321918
  H      3.28442336      1.21699000      6.46571132
  H      3.28166382      3.34896922      3.51457172
          69
 Energy    -248.41307865277884     
  O     16.53249508     11.06594389    -10.90213753
  H     16.01796493     10.60204593    -11.57847542
  H     13.04985295     10.14743618     -9.42434659
  O     14.61581927      5.90302900     -7.30736360
  H     17.43866834     10.73352276    -10.93320548
  H     19.52359040      5.75467804    -13.54588282
  O     15.00127203     12.63448001     -9.18186273
  H     14.50647861      5.13425786     -6.75425035
  H     18.13386318      6.43206392    -13.46716986
  O     12.51623437      7.36038754     -8.57074266
  H     14.95245360      6.61391748     -6.73216462
  H     15.88750057      7.49704068     -9.52807158
  O     14.98565038      9.64182302    -12.69248596
  H     14.28352932     12.01230857     -9.03314645
  H     15.53530795      6.11490566     -8.95896442
  O     18.99665085      9.82907807    -10.53093640
  H     15.54202618     12.23692214     -9.88088573
  H     19.18538022      9.59326156    -12.41015484
  O     18.58990277      7.00959557    -10.37813761
  H     12.74922915      8.28172638     -8.40833159
  H     19.22247375      8.31815690    -13.27223526
  O     11.96442197      7.16125517    -11.21918741
  H     13.17873077      6.82663118     -8.11555131
  H     18.20393984     11.47128569     -7.64543732
  O     16.65692790     11.97967702     -7.06897380
  H     14.87918658      8.70404444    -12.47886879
  H     19.74034173     11.64273062     -7.61543422
  O     12.61846238      9.96624228    -11.13898604
  H     15.51497591      9.67995812    -13.49906969
  H     16.97579239      9.96508526    -15.60394551
  O     14.34725405     10.52900829     -5.95303556
  H     19.12287882     10.24323530     -9.66828491
  H     17.64866006      9.49314961    -14.29236267
  O     13.45023359     10.11047141     -8.54184971
  H     18.85315746      8.88403075    -10.38189470
  H     16.63576720      9.04414042     -8.27892609
  O     19.02399505      6.41281482    -13.07076007
  H     18.78027624      6.73162270    -11.28274436
  H     16.24554680      9.83754831     -9.57989599
  O     15.92451623      6.54642043     -9.72781199
  H     17.67769621      6.75417627    -10.18007386
  H     15.10221294      8.79227869     -5.73173146
  O     19.09048514      9.27358509    -13.31594083
  H     11.11314596      6.75614566    -11.36037638
  H     16.46249197      8.16169039     -6.07817077
  O     19.04515154     11.08045252     -7.94713502
  H     12.12147324      7.16080574    -10.25751349
  H     15.06659140      6.68735507    -11.31576349
  O     16.81670837      9.48015467    -14.79887069
  H     16.12824887     12.35544243     -7.78907983
  H     13.66305176      6.91050202    -11.93207171
  O     15.96871876      9.14061986     -8.97088342
  H     16.02956758     11.48528347     -6.53308765
  H     20.26522081      5.96556671     -7.77742833
  O     15.56094106      7.94666397     -5.80008253
  H     13.36266639     10.03754696    -11.75036870
  H     19.38513866      6.71784431     -8.79361188
  O     14.60669723      6.91575830    -12.13597803
  H     12.26461990      9.07759862    -11.26700600
  H     18.43666216      9.48902895     -7.18917756
  O     19.65340584      6.69167500     -7.86076874
  H     13.74040478     10.99828219     -5.38482506
  H     18.55784532      7.94174838     -7.22253338
  O     17.95285162      8.67105781     -7.02346549
  H     13.91052105     10.45135063     -6.81682224
  H     15.82011557      6.65696949    -13.51924760
  O     16.55991210      6.69357744    -14.14084436
  H     14.34246866      9.74467260     -8.66259390
  H     16.55906637      7.58527361    -14.51021430
          69
 Energy    -248.41289478462966     
  O     11.27259738      9.99993209    -11.68712578
  H     11.84399123     10.63691475    -12.13232717
  H     16.24564341      6.60417081    -17.21303536
  O     13.88863398      7.71863655    -15.54529749
  H     10.88299247      9.45467621    -12.38392437
  H     17.29633986      6.03055960    -15.19119998
  O     17.17282219      9.81492048    -10.03530668
  H     14.53700786      8.01787064    -14.89266098
  H     18.36407844      5.51750353    -16.18008580
  O     18.11312571      9.03129633    -16.38514829
  H     14.36678702      7.38323335    -16.31475412
  H     16.35336164     11.75915752    -14.33366342
  O     12.27100350      9.89494195    -15.35267410
  H     17.86450560      9.83997468    -10.70683537
  H     16.02406820     13.26483115    -14.44777385
  O     14.34719557      6.39969953    -10.29783866
  H     16.33650801      9.97340364    -10.49747688
  H     15.28901704      8.86799842    -12.74957639
  O     12.18809033      6.38271127    -13.83512574
  H     17.48799313      9.25849923    -17.08604659
  H     16.31609362      9.18503829    -13.86102222
  O     14.72526160      9.88933582    -11.34405967
  H     18.05983664      8.07459305    -16.27337579
  H     12.39372724      8.92792668     -8.95239386
  O     16.08973872      9.64193891    -18.27067052
  H     12.84990941      9.13079990    -15.50983948
  H     12.10698293      9.09284524    -10.46097378
  O     14.17190082      4.80341776    -12.45205337
  H     11.47367707      9.52549187    -14.95747260
  H     17.90396762      6.83951400    -10.86978241
  O     17.57072785     10.48962155    -14.18205609
  H     15.19730357      6.67001434     -9.92917799
  H     17.81588495      6.40625275    -12.34709364
  O     15.45312592      6.93567326    -17.65319753
  H     13.72247914      7.11208760    -10.11716106
  H     20.06606400      9.50603705    -11.99492934
  O     17.71755118      6.20672837    -16.04842195
  H     12.75578171      5.79703924    -13.32502585
  H     18.90167303      8.48958253    -12.02027385
  O     15.62981410     12.39622887    -14.46205770
  H     12.76302343      6.75657125    -14.51993743
  H     16.21503389      6.86629165    -13.54735328
  O     15.66264732      8.53499676    -13.57544274
  H     14.08083347      9.46982936    -10.76116678
  H     15.74040989      5.42019258    -13.28234245
  O     12.69989607      8.66583659     -9.81694480
  H     14.23198141     10.46333796    -11.94659616
  H     16.97773011      8.17143226     -9.48146445
  O     18.38798027      6.84505365    -11.70505739
  H     15.46696765     10.17751065    -17.74860003
  H     17.20473006      7.06862191     -8.42043357
  O     19.12213245      9.43404173    -12.11119226
  H     16.13659427     10.04450746    -19.13383411
  H     14.82366004     11.64969601    -16.03157251
  O     16.49326005      5.93691578    -13.59290633
  H     14.22288814      5.35754238    -11.65105071
  H     13.57536026     10.82701552    -16.40878039
  O     16.87499153      7.21961313     -9.30248582
  H     13.97973541      3.91630481    -12.15974095
  H     14.05747189     11.85639690    -13.57063741
  O     14.41390792     11.15800516    -16.75312642
  H     18.15850430     10.21143851    -13.46845394
  H     12.94829070     10.85646199    -13.95432487
  O     13.30721168     11.36588833    -13.21271184
  H     17.85099401     10.03369091    -14.99287757
  H     10.98146701      7.63186687    -13.76908778
  O     10.37582882      8.39427808    -13.81687245
  H     15.67236253      7.81887928    -17.97884600
  H      9.51713569      8.04732044    -14.04263265
          69
 Energy    -248.41264989922610     
  O      2.99270367      0.30962088     -3.02306666
  H      3.00854604      0.74587260     -2.15830582
  H      2.98261463      2.64833849     -1.10242391
  O      0.46574175     -0.25964023     -3.93532871
  H      3.65105885     -0.39399851     -2.98628564
  H      0.48460206     -2.12454913      0.84772151
  O      2.65468711     -3.20542717     -1.44418262
  H      1.38397619     -0.10975822     -3.65432722
  H     -0.83090000     -2.84389540      0.54415153
  O      2.02670097      4.06737910     -1.83236459
  H      0.21535336      0.50273768     -4.46873908
  H      5.69196322     -1.97996034     -2.79697602
  O     -1.47299239      3.98208759      0.04332183
  H      1.94192196     -3.25599470     -2.09869904
  H      5.03059873     -1.23577476     -1.60934846
  O      1.28253185      4.64174538      0.76911698
  H      3.43493691     -2.83040237     -1.87103814
  H     -1.42951154     -1.49624176     -1.22433586
  O     -0.51620064      2.81981822     -2.28276432
  H      1.91157805      4.46198004     -0.95557641
  H     -2.67191219     -2.40094930     -1.35372044
  O      2.57142855      2.81118553     -4.30895331
  H      1.17588961      3.65246123     -2.02799740
  H      3.27785482     -2.17143577      1.85336712
  O      2.51585067     -3.76610647      1.35859977
  H     -1.21205168      3.69141237     -0.84616664
  H      3.13752635     -0.84281669      2.67556617
  O      1.72747485      1.95939166      1.66935807
  H     -2.19873112      4.59173156     -0.06702183
  H     -0.95035722      0.91901900      0.24326726
  O     -0.43655423      0.11894352     -1.38628297
  H      0.32755475      4.57242583      0.65669958
  H     -1.28509569      2.29356375      0.86881443
  O      3.23796650      1.81635202     -0.68496221
  H      1.54561232      3.82869317      1.22025629
  H      2.13022968      0.26933606      4.78392343
  O     -0.18926187     -2.69624145      1.24658012
  H     -0.47972480      2.74351695     -3.24497373
  H      1.14868418     -0.14158706      3.65805598
  O      4.84850646     -1.72485612     -2.43381955
  H     -0.45962691      1.92006118     -1.93564443
  H      4.64033831      0.57536098     -0.34040623
  O     -1.73286561     -2.41504847     -1.18004720
  H      2.89051059      1.96086566     -3.97833501
  H      4.73112437     -0.62943519      0.61465818
  O      3.54837614     -1.24139717      1.89967429
  H      2.57647395      3.41049973     -3.55086956
  H     -0.23369681      2.69793365     -5.85799808
  O     -0.99663312      1.39652676      1.08112216
  H      2.63847813     -3.77031801      0.39870817
  H      0.94467939      2.55329463     -4.86192868
  O      2.05741491      0.15926809      3.83988798
  H      1.56279367     -3.71352551      1.49251836
  H      2.27232122     -0.87674486      0.58971143
  O      5.11461473     -0.25252344     -0.18941696
  H      1.96521681      1.46900734      2.46469678
  H      1.96358783     -1.74086905     -0.64972055
  O      0.00444619      2.33844559     -5.00809948
  H      0.80551277      1.73845462      1.48188485
  H     -0.46373250     -1.39657908      2.57245947
  O      1.61883230     -1.01722369     -0.10594570
  H     -0.23650562     -0.03597934     -2.32184734
  H     -0.79451679      0.10921624      2.49598165
  O     -0.43957421     -0.57347481      3.07869185
  H      0.33706003     -0.20444609     -0.89185132
  H     -0.34780684     -2.98159192     -2.48305976
  O      0.42812127     -2.98344577     -3.05513981
  H      2.75334898      1.78360598      0.15087220
  H      0.40371272     -2.14669942     -3.53616922
          69
 Energy    -248.41258071824174     
  O     19.66800796     10.08899736     -9.48721523
  H     19.68221800      9.30862598    -10.06461796
  H     18.40931235     10.98930373    -10.45803550
  O     18.42951762      5.98731645     -9.40115412
  H     19.46223780      9.76793808     -8.60354165
  H     22.70548747      9.85881454    -10.21632872
  O     19.02251683      4.17262810    -12.85073880
  H     19.08138817      5.52947328     -8.85806499
  H     21.34991697     10.56999136    -10.15928828
  O     19.90474954      6.43079567    -14.40948683
  H     17.86487834      6.53837281     -8.84440270
  H     18.30090251      9.27925067    -13.57078601
  O     23.37968403      8.26323238     -9.40193480
  H     18.82807570      3.34350705    -13.28232377
  H     18.68882357      8.18440712    -12.54524057
  O     16.84455173      5.05685723    -11.40455497
  H     18.20594378      4.44467461    -12.40059765
  H     20.43251046      4.25708823    -11.54749535
  O     22.25481231      7.74999505    -14.15261528
  H     19.23003777      7.09041435    -14.19517678
  H     21.60346459      5.18596382    -11.15691415
  O     21.42949177      7.36543599     -7.73468057
  H     19.65652922      5.63486012    -13.92586958
  H     12.67064047      6.62379759    -11.70780648
  O     22.24203730      6.84216479    -11.52293606
  H     22.69374381      7.97987090     -8.77097310
  H     14.11470261      7.13843607    -11.61689497
  O     19.64697509      7.81731580    -11.07117206
  H     24.21057659      8.23424283     -8.93535514
  H     14.98223519      9.95859530    -10.00782263
  O     18.96614849      8.74504261     -7.05790174
  H     17.43433234      5.31087944    -10.67640826
  H     16.45572685     10.17446549    -10.44376388
  O     17.66721606     11.23628163    -11.02873714
  H     16.44365799      5.87905772    -11.71840574
  H     15.83642690      8.22376277    -11.41907433
  O     22.19226312     10.55991782    -10.63358579
  H     21.42996028      7.25404780    -14.30770016
  H     16.55545709      7.83467928    -12.72418174
  O     18.17484283      8.34780631    -13.35265387
  H     22.80163879      7.62427021    -14.92321779
  H     21.71812608     10.45779384    -12.37325387
  O     21.12550100      4.38698289    -10.89033740
  H     20.61491744      7.81078231     -7.47696615
  H     21.69927507      9.50353226    -13.59743025
  O     13.32900374      6.92873031    -11.08764730
  H     21.20608866      6.43325881     -7.85084180
  H     16.41360157      8.39531581     -8.77229122
  O     15.82549741      9.51992144    -10.09384147
  H     22.41740930      7.18421119    -12.40891930
  H     15.99914256      6.98721515     -8.30586634
  O     15.82154905      7.58552153    -12.14597544
  H     22.75625916      7.34731687    -10.88040641
  H     19.74530467     10.84777924    -13.51309793
  O     21.35556349     10.33856416    -13.26361019
  H     20.54373458      7.51442103    -11.26182599
  H     18.76132581     11.72173369    -14.32710264
  O     16.64020634      7.69618949     -8.14242274
  H     19.23620274      7.14901953    -10.50647129
  H     20.75616376      3.88841155     -7.78315419
  O     18.80183358     11.06169076    -13.64104093
  H     18.11064589      8.37879843     -7.33370071
  H     20.84228055      4.51824270     -9.19739560
  O     20.61385635      4.69759435     -8.26570393
  H     18.83330021      9.11501284     -6.18778788
  H     15.49690063      5.23069680     -9.76927041
  O     14.97508225      5.73815916     -9.13974238
  H     18.01524536     11.26015471    -11.92767475
  H     14.27277969      6.13643921     -9.67346119
          69
 Ord_Energy   -248.412292    
 O   -6.02265167      0.338818997       5.37654543    
 H   -5.67212439      -8.26539099E-02   4.57909775    
 H   -6.90304708      0.657009244       5.14516211    
 O   -12.1934814      -2.30508971       5.21127987    
 H   -11.9622784      -2.37329102       4.26911974    
 H   -13.1296997      -2.12452912       5.24993706    
 O   -7.53520298      -2.69406295       4.24455595    
 H   -7.56697559      -3.63602209       4.03631973    
 H   -7.74831533      -2.59578991       5.18093872    
 O   -10.5099716      -5.24307871       3.14057684    
 H   -10.4053392      -5.62103748       2.25909781    
 H   -10.7486267      -4.31493568       3.00392175    
 O   -5.53092861      -1.52699292      0.542862654    
 H   -5.13766813      -2.40462351      0.476060629    
 H   -6.45859432      -1.63253486      0.293176502    
 O   -3.59904289      -3.43029833       3.44582653    
 H   -4.13732958      -2.61868405       3.42760086    
 H   -2.70322037      -3.16049027       3.63662744    
 O   -4.52576780      -4.24569893      0.911175907    
 H   -4.19404030      -4.06581783       1.80458295    
 H   -3.82657552      -4.70247602      0.448737293    
 O   -6.83876467      -5.98193216       6.04729795    
 H   -7.49577808      -5.70832872       6.69724894    
 H   -6.09028864      -5.37157822       6.12996864    
 O   -10.1027889     -0.595484138       6.18608379    
 H   -9.45270729      -1.20904350       6.55735350    
 H   -10.8514967      -1.13223648       5.90368509    
 O   -8.69899082       1.09404254       4.61659956    
 H   -9.24036789      0.542227566       5.21108055    
 H   -9.03111172       1.98490441       4.68818855    
 O   -7.76896620      -5.36501312       3.59605622    
 H   -7.44220018      -5.71223307       4.43977690    
 H   -8.73398304      -5.41315031       3.58303857    
 O   -8.99730682     -0.984602630       2.73233938    
 H   -8.92684364     -0.146407530       3.20188165    
 H   -8.50702190      -1.62639439       3.27107477    
 O   -8.27793598      -2.20044065      0.316761374    
 H   -7.97601509      -3.07398486      0.603897631    
 H   -8.51801777      -1.70119846       1.11148179    
 O   -10.9488678      -4.78593349       5.90009642    
 H   -10.8615513      -5.13783789       5.00565195    
 H   -11.4130878      -3.94577384       5.80098629    
 O   -4.79604149      -4.09031057       6.05982256    
 H   -4.39827013      -3.94654632       5.19500303    
 H   -4.96391392      -3.21697807       6.43358755    
 O   -9.78573132      -5.91156054      0.459507525    
 H   -8.87568188      -5.57955360      0.535948575    
 H   -9.74302101      -6.70837069      -6.33161366E-02
 O   -8.94063187      -4.95716286       7.70640612    
 H   -9.68445683      -4.94396067       7.07667589    
 H   -9.26338387      -5.36620235       8.50473881    
 O   -5.32288742      -1.34796691       3.27804542    
 H   -6.09679413      -1.82717824       3.61307907    
 H   -5.41848469      -1.26000035       2.31848121    
 O   -11.2626972      -2.55955076       2.65202546    
 H   -10.5253572      -1.93569076       2.71956849    
 H   -11.3392849      -2.77960706       1.71243358    
 O   -7.30358267      -4.79801941      0.995679855    
 H   -6.35742378      -4.68456173      0.853641272    
 H   -7.40661430      -5.04107380       1.93045461    
 O   -10.9077244      -3.28396964       2.54709404E-02
 H   -10.6723881      -4.21912193       2.51033902E-02
 H   -10.0689917      -2.81336713      -7.60422423E-02
 O   -8.12951565      -2.39531827       6.96185017    
 H   -8.33856583      -3.26688671       7.32161713    
 H   -7.23473835      -2.15294671       7.23239756    
 O   -5.48582935      -1.54436684       7.25132895    
 H   -4.99571419      -1.16409290       7.97544765    
 H   -5.65282917     -0.824197471       6.61675787    
          69
 Ord_Energy   -248.411835    
 O   -1.22753918       1.57557440       1.84274554    
 H   -1.72373986       1.63775694       2.66795278    
 H   -1.10529995      0.631418586       1.66948771    
 O   -5.46610641       2.45094037      0.390539348    
 H   -5.90106010       3.22504354       4.43266705E-02
 H   -4.53268433       2.50155115      0.114190310    
 O   -2.12783170      -1.51244056      -4.06398869    
 H   -2.70422077      -2.12790632      -3.57993031    
 H   -2.30152464      -1.64595664      -4.99229002    
 O   -6.39900875      -3.75287676       1.27708066    
 H   -6.38787413      -3.46701407      0.346076071    
 H   -7.20775318      -4.24205303       1.40543175    
 O   0.167718127      -3.58353043       1.75979233    
 H    3.90104018E-02  -3.92974281      0.855963171    
 H    1.04647040      -3.83253527       2.03134990    
 O   -5.64201117     -0.305400848      -6.64672926E-02
 H   -5.68508482      0.656500161      -1.64400097E-02
 H   -5.67369175     -0.637894690      0.843381107    
 O   -2.89271474      -1.33438134       3.40091109    
 H   -2.84802938     -0.468290389       3.82389665    
 H   -2.25423026      -1.30315304       2.67699051    
 O   -6.22787046      -2.77201581      -1.25755262    
 H   -6.15233707      -1.83952355      -1.00943875    
 H   -5.44499588      -2.97154140      -1.78429091    
 O   -3.86837769      -5.06019735       1.07072461    
 H   -3.33133125      -4.79358530       1.83025825    
 H   -4.73769236      -4.66509390       1.19391167    
 O   -1.81612551      0.658364773      -2.27233648    
 H  -0.934791148      0.491867810      -1.90599823    
 H   -1.92918622       5.73737212E-02  -3.01977682    
 O   -5.55247879      -1.34892499       2.49087524    
 H   -4.64384890      -1.45371509       2.80633497    
 H   -5.86853886      -2.22095752       2.22188306    
 O   -3.60660791      -3.12662792      -2.39698362    
 H   -3.32753682      -4.01149940      -2.12723398    
 H   -3.38102865      -2.52969861      -1.66653347    
 O   -3.05018592      -1.14668119     -0.544514716    
 H   -3.94354844     -0.842056513     -0.336481690    
 H   -2.66271424     -0.488952667      -1.13897669    
 O    1.03970671       2.32026029      0.383462101    
 H    1.06267333       3.25200629      0.177636415    
 H   0.291004211       2.19918823      0.988084972    
 O  -0.260642797      -4.35857105     -0.743259847    
 H   -6.06340393E-02  -3.71879125      -1.44172013    
 H   -1.07417560      -4.81072950     -0.992054582    
 O   -2.85348082       1.41294682       4.14384842    
 H   -2.85202932       1.83633149       4.99794197    
 H   -3.75614882       1.49906039       3.78621054    
 O   -5.32270765       1.43784285       3.05571055    
 H   -5.43000746       1.85099542       2.18978143    
 H   -5.58643961      0.514146805       2.95400906    
 O   -2.28151536      -4.12179184       3.13739991    
 H   -2.53158832      -3.24270988       3.44494557    
 H   -1.39891565      -4.02874327       2.75674987    
 O   -2.86946774       2.42560482     -0.319817007    
 H   -2.29857945       2.18181229      0.420061827    
 H   -2.53351831       1.95403981      -1.09195936    
 O   -1.02497506      -1.15717828       1.25223708    
 H  -0.579305768      -1.99641180       1.43236256    
 H   -1.74963808      -1.30073893      0.621149063    
 O   0.233015329      -2.35575724      -2.59208822    
 H  -0.485992819      -2.09051585      -3.17601633    
 H   0.504038334      -1.55778503      -2.12095904    
 O   0.522468269      -5.60058802E-02 -0.927399993    
 H   0.866515100      0.776473761     -0.572958171    
 H   0.126064226     -0.517145216     -0.178231344    
 O   -2.77781534      -5.55231285      -1.31967330    
 H   -2.89029932      -6.47527599      -1.52828896    
 H   -3.17744517      -5.40979099     -0.440488786    
          69
 Energy    -248.41151918107113     
  O     -7.89246690     -2.28471761      6.01627413
  H     -8.20087769     -1.47929387      6.44838954
  H     -7.96542641     -2.06563326     -1.16346346
  O    -10.88740277     -1.52537937      2.88232558
  H     -6.92811481     -2.24972981      6.02094724
  H     -4.72073142      0.27114206      1.57878095
  O     -9.07708531     -3.50296571      3.90451989
  H    -10.36559695     -2.26459464      3.21571144
  H     -3.77029757      1.20410102      2.35934684
  O     -5.82177688      0.46478531      0.09760553
  H    -10.79698692     -0.82984235      3.54741451
  H     -7.48639198     -0.76739138      2.97124972
  O     -5.33465229      0.54790909      4.90726553
  H     -8.68857859     -3.07592736      4.68983386
  H     -6.90522874      0.26008694      3.98080854
  O     -5.51640201      5.22674627     -0.08839869
  H     -9.32703222     -4.38457280      4.16754286
  H     -4.82345202     -2.28223329      4.93126756
  O    -10.29031945      2.43943569      0.92212813
  H     -6.35395454     -0.28783409     -0.18254363
  H     -4.40051467     -2.51697336      6.40285118
  O     -8.79845570      0.17215910      7.17705141
  H     -6.44964476      1.08726365      0.49710246
  H     -2.87202753      3.62826730      2.67670416
  O     -4.53573267     -2.36161087      3.22852292
  H     -4.88031573      0.50413324      4.05463602
  H     -4.38183242      3.43673101      2.41077095
  O     -4.28149116      2.79434196     -0.50615390
  H     -5.18512597     -0.29886405      5.34840852
  H     -7.85061370      5.16849768      4.84837649
  O    -10.05119660      0.48179098      4.66804886
  H     -5.10653006      4.39314511     -0.37655801
  H     -7.14634450      4.29216672      3.79270077
  O     -7.76008663     -1.58416870     -0.36696941
  H     -5.52125102      5.79663374     -0.85202359
  H    -10.28113686      2.18109375      4.02072444
  O     -4.16119038      0.32120661      2.36679167
  H    -10.86608955      3.02824362      0.44263742
  H     -9.43816503      3.46958281      3.88811260
  O     -7.63659410      0.09818988      3.37224000
  H    -10.35884925      2.68256841      1.86355548
  H     -7.83543420     -2.89865208      2.67685848
  O     -5.05224837     -2.08415720      5.85834801
  H     -8.20479246      0.90092280      6.92057937
  H     -7.38093643     -2.26384696      1.30903116
  O     -3.50682531      3.03515872      2.28288978
  H     -9.04905977      0.32826154      8.08344981
  H    -10.36896928     -0.82422073      1.30820867
  O     -7.78607756      4.27315422      4.52253355
  H     -4.21403358     -1.51828432      2.88553495
  H    -10.18000863      0.54142815      0.60495687
  O    -10.22962291      3.02998249      3.55821240
  H     -5.40781444     -2.48910278      2.82686719
  H     -7.37311106      2.86891578      5.74361834
  O     -7.12959454     -2.41357129      2.22926775
  H     -3.82057861      2.83901412      0.34033866
  H     -6.39321262      1.68144788      5.87946862
  O     -9.99263638     -0.39906053      0.52275765
  H     -4.75631261      1.95358239     -0.49554277
  H     -8.48179731      2.24735913      1.15743272
  O     -7.13265362      2.12983514      6.31362169
  H     -9.22322776      0.32889518      4.18440521
  H     -7.66477615      1.37102093      2.15240380
  O     -7.58928005      2.05225524      1.46631861
  H     -9.82841117      0.36868745      5.59858818
  H     -6.60707946      3.37550255      2.04075190
  O     -6.07583161      4.12648956      2.35278296
  H     -8.58043279     -1.13204608     -0.09224841
  H     -5.92777774      4.68369365      1.57425631
          69
 Energy    -248.41148830672250     
  O     12.11460903     10.70352499    -15.36940648
  H     11.91010051     11.57882801    -15.69011062
  H     14.79688030      4.59563562    -15.99911099
  O     13.10679395      3.99410128    -16.45539397
  H     12.79222668     10.81283275    -14.67982595
  H     15.49392725      9.42557357    -10.75677240
  O     14.46132913      6.56232604    -11.48410445
  H     12.56055182      4.75734288    -16.69916320
  H     15.58918618      7.93593166    -11.13399945
  O     18.36563992      7.40456368    -12.08883069
  H     12.87929105      3.29029070    -17.05918848
  H     14.34869486      7.83899638    -14.47417275
  O     13.07615923      3.26106766    -13.60404678
  H     13.68157281      6.42397913    -10.93251453
  H     13.68156902      8.84962475    -13.51428350
  O     10.52792501      9.33112918    -13.33508211
  H     14.15759226      7.01786493    -12.28580571
  H     12.68239387      9.27010531    -16.49894485
  O     11.59077241      6.24005843    -17.11757356
  H     18.40697651      7.80792707    -12.96115905
  H     13.90990878      8.36279625    -16.77038937
  O     18.20961381      8.23700225    -14.98099738
  H     17.68679754      7.88966383    -11.60060642
  H     11.65186797      5.75013126    -10.93039543
  O     11.22076036      6.81366450    -14.34089276
  H     13.03899607      3.46754312    -14.54423867
  H     11.65903093      5.91428799     -9.39125452
  O     18.34231131      4.71232821    -12.45644579
  H     13.95625263      3.52683146    -13.30769540
  H     11.30462159      9.18557430    -11.68702783
  O     18.30033874      5.54707071    -15.18595040
  H     10.55543092      8.42733215    -13.67821985
  H     11.78763621      8.13916698    -10.63867160
  O     15.58027667      5.00316073    -15.61232089
  H     10.92782930      9.86901429    -14.02681891
  H     15.18805495      5.16136985    -12.34019258
  O     16.11133864      8.74886299    -11.06092974
  H     10.86932025      6.33670214    -17.73384429
  H     16.50322154      4.41358302    -12.68014740
  O     13.72203202      7.91320293    -13.74312966
  H     12.09837709      7.07186262    -17.14818311
  H     11.80674402      4.22015745    -12.69117206
  O     12.99782021      8.53457600    -17.03871320
  H     18.93282055      8.61753040    -15.47435330
  H     11.06626305      5.52538867    -13.03209236
  O     11.99192584      6.29725728    -10.19771792
  H     18.28245357      7.27040583    -15.08330369
  H     13.19304010     10.03048849    -10.60547281
  O     11.82605258      9.07134232    -10.87968048
  H     12.09804141      7.17919418    -14.14774379
  H     13.83813130     11.24491975     -9.89154659
  O     15.56523121      4.46544538    -12.89820918
  H     11.22039789      6.58393776    -15.27521636
  H     15.50682910      6.76072674    -15.89492825
  O     11.20264653      4.88087480    -12.32488084
  H     18.98448476      4.27498887    -11.90408364
  H     16.34897283      8.04414447    -15.70099330
  O     13.99569976     10.58483226    -10.56057288
  H     18.37119937      5.65912316    -12.22887984
  H     14.92166831     10.62014492    -13.56469068
  O     15.46712932      7.72974850    -15.91823681
  H     18.42942846      5.14326211    -14.31838142
  H     13.89600738     10.82915294    -12.42476577
  O     13.97538406     10.72928764    -13.38102642
  H     17.44009935      5.23496236    -15.49787363
  H     17.18057028      9.55746427    -14.03733666
  O     16.61419433     10.11226629    -13.49336791
  H     15.54577387      4.82760112    -14.65914492
  H     16.50513575      9.64053374    -12.65451790
          69
 Energy    -248.41148297928490     
  O     19.59150641     10.89979026    -18.60637428
  H     20.21697273     11.64682960    -18.60308439
  H     16.71274287     12.22487181    -18.16484922
  O     17.30957271     18.27653967    -15.92735382
  H     19.94778611     10.24199177    -19.19727474
  H     19.31161425     15.38766148    -17.67439326
  O     22.65488967     14.20517780    -16.29037256
  H     18.26476578     18.34434383    -16.05386255
  H     18.96107569     15.39197725    -19.18058153
  O     16.32136597     14.92713473    -13.20596281
  H     16.94742079     17.76713166    -16.66556744
  H     16.20146646     12.19383894    -11.82824749
  O     16.27350144     11.81241243    -16.37228960
  H     23.57490850     14.21198833    -16.03683495
  H     15.53296826     13.37489841    -12.55017701
  O     18.01502989     11.64249182    -11.43201373
  H     22.45866051     15.08755854    -16.64391142
  H     19.48054699     13.62032945    -13.43296596
  O     14.97919601     10.60151242    -14.19995017
  H     17.22609844     14.61503353    -13.06121220
  H     18.69453528     13.20692331    -12.16571862
  O     21.19593652     13.06876258    -18.52067852
  H     16.34804362     15.89248852    -13.18573038
  H     16.77637107     10.01585828    -13.78432503
  O     21.91987226     16.61370156    -17.51254690
  H     17.18392982     11.54851272    -16.17659946
  H     18.20129043     10.18811392    -14.34970711
  O     16.73958766     17.69073260    -13.38495778
  H     15.71673271     11.36613504    -15.72251238
  H     16.52645780     16.12339178    -18.60904051
  O     20.31549778     13.19868132    -15.02110038
  H     18.27484223     11.15401625    -10.65564630
  H     15.92980873     15.88058468    -17.21498560
  O     17.20200200     12.45142396    -18.96572015
  H     17.97174835     11.00276677    -12.16587897
  H     20.07325023     17.73790493    -14.94649207
  O     19.69846916     15.45417488    -18.56231770
  H     15.03871317     11.28679486    -13.50988868
  H     20.78615035     17.69865100    -16.31154340
  O     15.38535309     12.46220199    -12.26789441
  H     14.15707942     10.14002747    -14.05977685
  H     19.33937154     15.77683849    -13.14622998
  O     18.94671506     13.96742730    -12.70464078
  H     21.80129258     13.29087596    -17.80571786
  H     18.50626572     17.05671364    -13.40689882
  O     17.71041514      9.97110818    -13.54565810
  H     20.65215190     13.85797286    -18.65028380
  H     19.45846880     11.69898097    -15.55540444
  O     16.18130066     16.57981120    -17.83498950
  H     22.38099592     17.20388772    -18.10420664
  H     19.16712950     10.81091882    -16.79378080
  O     20.13808435     18.19094079    -15.79893488
  H     21.14173316     16.28497055    -17.99679230
  H     18.86951743     15.81083922    -15.35015221
  O     19.34253660     16.61888933    -13.61772221
  H     16.86083470     17.93916525    -14.32157373
  H     17.76217573     14.96557509    -16.05235684
  O     18.90556105     10.97368498    -15.87915877
  H     16.38194646     18.45445648    -12.94167717
  H     16.97185662     14.98259110    -20.83782792
  O     18.71212294     15.14132284    -16.02619518
  H     21.19724256     13.44936108    -15.31607248
  H     17.25232060     14.06562091    -19.62464671
  O     17.34801266     14.97458771    -19.96192191
  H     19.71080531     13.83513272    -15.43802810
  H     15.97758043     14.65548559    -14.97819205
  O     16.00545280     14.53204142    -15.93647891
  H     17.99055500     11.89634188    -18.95078255
  H     16.02359783     13.58035035    -16.10391854
          69
 Energy    -248.41099110283324     
  O     17.05809359     13.15092633    -15.28994074
  H     16.98690060     14.10152209    -15.27457746
  H     17.26400439      4.98551120    -13.29824978
  O     14.63529475      6.61548048    -14.08758338
  H     16.34927403     12.81040621    -14.71553254
  H     18.81028487     10.62230616    -17.26677737
  O     18.99627143      7.49907594    -12.03694780
  H     15.20189667      6.39676903    -13.33726031
  H     20.27923406     10.64135300    -17.74282200
  O     17.48716847      6.53486638    -17.54109002
  H     14.07981648      7.36767036    -13.82777607
  H     17.03667204      7.57471830    -15.99874229
  O     14.88055909      7.20061804    -18.55303043
  H     18.65333305      8.29086688    -12.48281475
  H     15.92854003      7.57677413    -14.90446215
  O     15.72226198      8.01537648     -9.91851611
  H     19.52849018      7.02294849    -12.68435179
  H     15.17682855     11.53893994    -13.04355721
  O     13.36758723      8.90768920    -13.38995135
  H     17.31586286      5.62936721    -17.24704166
  H     14.35012937     11.77953919    -14.32657865
  O     17.84397115      9.55882397    -13.36079038
  H     16.70593177      6.81429594    -18.03281549
  H     13.79208426     10.42106974    -16.11259058
  O     16.81729799      4.01524845    -16.48306303
  H     14.46150286      6.92271906    -19.36277077
  H     12.44245008     11.16769150    -15.99757864
  O     19.81160425      7.54569008    -16.39181991
  H     14.59770443      6.57485518    -17.86014519
  H     21.06227916      5.71092463    -14.20626056
  O     14.34505892      5.43207636    -16.58045310
  H     15.20928779      7.88459710     -9.12513743
  H     20.08136245      6.65401857    -14.93988330
  O     17.76437875      4.60954294    -14.03104268
  H     16.65308839      8.09019007     -9.64445935
  H     16.06050316      6.67407520    -11.27915347
  O     19.70546297     10.29784650    -17.06226281
  H     14.06192331      9.31820066    -12.85586542
  H     17.36658881      6.62333601    -12.07043334
  O     16.60212773      8.12239049    -15.33506621
  H     13.16022312      9.54073551    -14.08645309
  H     19.04112136      8.79570121     -9.09271163
  O     15.05208268     12.15199490    -13.77858429
  H     17.45593527      9.08869185    -14.11360218
  H     18.74050426      7.89765619    -10.30446855
  O     13.18182350     10.84731924    -15.48764289
  H     18.38856986     10.28092483    -13.70273880
  H     17.11504479     12.00523626    -16.78001358
  O     20.19488939      6.10220141    -14.14497930
  H     17.02914654      3.10782050    -16.68325550
  H     16.43250785     10.78723363    -17.44299855
  O     16.48679078      6.22309970    -12.01731653
  H     17.12918961      4.18209208    -15.57503403
  H     16.35739891      9.88928291    -12.40875271
  O     18.40656317      8.17025194     -9.43373634
  H     19.11005906      7.16917143    -16.94006396
  H     15.52810576      9.43667906    -11.18441495
  O     17.22819165     11.33187030    -17.46394954
  H     19.81542620      8.49291241    -16.57520736
  H     18.60187302     12.19596773    -14.75413115
  O     15.51665876     10.02724703    -11.94588235
  H     15.08549044      4.81331138    -16.56618732
  H     19.57279430     11.15859133    -15.35574670
  O     19.29273551     11.56065225    -14.52378680
  H     14.30798997      5.80522517    -15.68785429
  H     15.59078293      9.17889864    -16.37289511
  O     15.03624307      9.57673009    -17.06227784
  H     18.61245286      5.07125759    -14.05184024
  H     14.87656807      8.86827447    -17.69750083
          69
 Energy    -248.41092809782694     
  O      0.26782191      0.36541832      5.00782663
  H      0.18740982      1.31904608      4.90711921
  H     -3.19457780     -0.99324397      3.12367668
  O      2.53350089     -1.14518350     -1.99405968
  H     -0.61908354      0.06892739      5.25775640
  H     -2.00824283      2.67653270      0.78880852
  O     -2.45415578     -0.06702695      5.57394455
  H      2.57016450     -2.05132484     -1.66090863
  H     -2.70554069      2.24077817     -0.50911741
  O     -0.06903225     -0.44421122     -0.99658510
  H      1.62128731     -0.85766057     -1.86246805
  H      0.17810162      1.74464101      1.60545317
  O      2.54496088     -3.62192352     -0.55605362
  H     -3.04144031     -0.64884691      5.07845691
  H     -0.53066721      2.53476505      2.75202996
  O      3.59679226     -2.13801556      1.45917744
  H     -2.77280454      0.82666256      5.39829148
  H     -2.31443699      1.01005209     -2.76011174
  O     -4.40748077      2.30098476      2.49104132
  H     -0.20350045     -1.37236207     -0.75660787
  H     -1.50192350      0.42634025     -1.58158832
  O     -3.10845154     -4.06531650      2.78537240
  H      0.41086197     -0.03624015     -0.26246373
  H     -1.54292258      0.51444301      2.03665328
  O     -0.52699435      3.11226806      4.50494726
  H      2.93372351     -3.15755994      0.20737358
  H     -2.43078736     -0.48195084      1.21888279
  O      3.96914625      0.23694871     -0.13455941
  H      3.05154932     -4.41989454     -0.68001977
  H      0.71196560     -3.39883292     -0.34640449
  O     -5.66113858     -0.19499324      1.85088892
  H      3.88648359     -1.32577539      1.02648664
  H     -0.26365230     -3.02597560      0.80040949
  O     -3.92061182     -1.47226660      3.55672750
  H      3.01639294     -1.86429989      2.18262290
  H      0.92858732     -1.87602373      3.04812627
  O     -2.82637720      2.77923822      0.27959842
  H     -4.92479246      1.51915766      2.27285453
  H      1.24505308     -0.63716814      3.91191856
  O     -0.65803157      2.14843285      1.87753731
  H     -3.92377448      2.53845482      1.68579645
  H     -3.65267945      2.52801724      4.01070248
  O     -2.34062045      0.85869006     -1.81888534
  H     -3.35878637     -4.96822603      2.95954356
  H     -3.87279949      3.06296544      5.44410119
  O     -1.90837734     -0.37729931      2.02498656
  H     -3.11957374     -3.94941072      1.81728672
  H      1.50949044     -0.00188585      1.83931682
  O     -0.18761144     -3.10175560     -0.16263328
  H     -0.26757760      3.94190763      4.89752787
  H      2.36086577      0.65061968      0.71549224
  O      1.59778930     -1.19496987      3.20136914
  H     -1.47510714      2.99982059      4.68487121
  H     -1.00148052     -1.85107268      2.40500201
  O     -3.23016155      2.63774427      4.88232147
  H      4.70594328      0.72489374     -0.49109968
  H     -1.33113672     -3.30598602      2.80554242
  O      1.47785927      0.62556608      1.10189017
  H      3.53781008     -0.21365339     -0.88268221
  H     -2.04196596     -3.53649059     -0.14723853
  O     -0.60426327     -2.72540331      2.55635829
  H     -5.15888719     -0.69064713      2.52049296
  H     -3.30884560     -2.66782883     -0.03556099
  O     -2.96897120     -3.55961453      0.12318566
  H     -6.57805803     -0.43414498      1.95926488
  H     -4.46299209     -0.52509153      0.39329970
  O     -3.70156736     -0.86849827     -0.09023006
  H     -3.74632127     -2.41008442      3.40659559
  H     -3.42642571     -0.22424637     -0.75447405
          69
 Energy    -248.41063346096774     
  O     18.81194567      6.71863857    -13.22987757
  H     18.03316915      6.26950312    -12.88352650
  H     11.16860170      5.27036614    -11.13416787
  O     13.84768077      4.38690514    -15.97478510
  H     18.87733079      6.45947054    -14.15860838
  H     14.31250814      5.18749532    -12.94690121
  O     12.98442725      9.57199893    -13.09296200
  H     13.52149585      5.27512772    -16.20841940
  H     13.52527200      4.61611743    -14.15602657
  O     11.72256354      7.85542357     -9.45715379
  H     13.44396670      3.77376138    -16.58269868
  H     13.41917654      9.55926295    -11.39297778
  O     12.91102726      6.88225467    -16.37666015
  H     12.47268394      8.81877710    -13.42275999
  H     14.35377221     10.19764070    -10.33407041
  O     18.59692195      6.11732434    -16.01838937
  H     13.17617155     10.17838477    -13.81812428
  H     15.17543088      8.23154123    -14.76504010
  O     16.52966550      4.63215237    -15.11877899
  H     12.23527856      7.11904699     -9.10327478
  H     14.53838618      8.60171997    -13.40906311
  O     15.78141399     11.41284118    -10.32426230
  H     12.37199466      8.52151321     -9.72139619
  H     13.89783541     12.13029702    -15.38017358
  O     13.36791173      5.55259343     -8.89482657
  H     13.53886029      7.60370865    -16.51922671
  H     14.85519250     11.41970495    -14.39317639
  O     17.58067745      8.76062746    -16.22215126
  H     12.38571074      7.11176026    -15.60062375
  H     11.09850575      7.13198652    -13.06343356
  O     10.16363822      6.90143315    -11.46724126
  H     19.18185147      5.60320110    -16.56856712
  H     12.38693741      6.46434936    -13.57909075
  O     11.86738454      4.62765219    -10.96335373
  H     17.84667644      5.54070423    -15.78720802
  H     15.81588019      8.89854870    -16.55125018
  O     13.42899009      4.95417821    -13.25652924
  H     15.64898386      4.50692058    -15.49344123
  H     14.60590210      9.77871093    -16.10756816
  O     13.76154930      9.45379180    -10.49234140
  H     16.40062362      4.85646574    -14.18967088
  H     16.83491027     10.90823878    -13.24793246
  O     15.26878476      8.11703904    -13.81065332
  H     16.39209444     10.65452729    -10.27207810
  H     15.92978631     11.62036140    -12.22943254
  O     14.13340604     11.27445826    -15.03183797
  H     16.05629929     12.03535205     -9.65652532
  H     15.87927763      6.13628912    -11.65626361
  O     11.77381335      7.19306596    -13.75184714
  H     12.85056691      5.14128035     -9.61038980
  H     15.79915391      6.61640632    -13.11172853
  O     14.85133961      8.90883440    -16.44816592
  H     13.34672431      4.94849201     -8.15755635
  H     16.85270001      8.89822134    -13.44509666
  O     16.10368869     11.53430766    -13.17460191
  H     17.95243142      7.86891790    -16.25575383
  H     18.31234427      8.43989962    -13.24883706
  O     16.04034710      5.84837362    -12.56538933
  H     17.81788328      9.10396332    -15.35508526
  H     16.78769402      8.37174011    -10.25575881
  O     17.75126514      9.22960802    -13.28620325
  H      9.24190515      7.01931001    -11.25389302
  H     17.58394697      9.14166464    -11.33818498
  O     17.29884599      9.17448814    -10.41732077
  H     10.67313763      7.30794446    -10.74299328
  H     14.76245319      6.52839513     -9.66656931
  O     15.31274858      7.11220635    -10.20373575
  H     12.38999977      4.59065728    -11.77625106
  H     14.78092475      7.90779598    -10.35242129
          69
 Energy    -248.41021473375812     
  O     12.18853025     11.60948838    -14.64728111
  H     12.89853122     12.24933773    -14.51968910
  H     13.47512314      6.29861122    -15.97905448
  O     15.23377765      6.67478801    -13.43220537
  H     12.46037933     11.03761430    -15.37768064
  H     16.63621981     11.63003947    -15.78935472
  O     17.79901439     10.00317280    -12.38531413
  H     16.16987701      6.67479271    -13.19700953
  H     15.67733666     11.81778251    -16.96762909
  O     17.39727648     10.01901311    -15.16974838
  H     15.06100930      7.56217821    -13.78801397
  H     14.90278272      9.91443437    -13.65955931
  O     11.88470701      7.32529583    -15.90811092
  H     18.04214153      9.92259584    -11.45460942
  H     14.24261825      9.43575693    -14.99708431
  O     15.35825928      9.44092078     -8.95959445
  H     16.94293914     10.45737165    -12.38185809
  H     11.43861928     10.91899177    -13.25737877
  O     13.52496866      7.18259825    -11.35117092
  H     16.52614409      9.64247721    -14.95712649
  H     10.22531570     10.89693021    -12.29554012
  O     15.28722343     11.20465071    -12.43540514
  H     17.82332627     10.13936057    -14.31125686
  H     17.78465135      6.75494823    -11.08929145
  O     16.28956897      6.70775573    -17.63115944
  H     11.74164346      7.46171379    -14.95378828
  H     17.88341245      7.70773341     -9.88799568
  O     15.10956396      6.59332855     -9.10131374
  H     11.07670052      6.95594570    -16.25497746
  H     12.10529726      7.45228947    -12.57461271
  O     18.29710378      7.32301296    -15.64371309
  H     15.20968837      8.49056062     -8.86948088
  H     11.27884298      8.68079422    -12.99957502
  O     14.34684272      5.88721214    -15.95538599
  H     14.63547860      9.76516494     -9.51004557
  H     17.87304302      8.13701861    -12.73461299
  O     16.01269877     12.25634745    -16.18347683
  H     14.12638437      6.92370734    -12.06614055
  H     18.16525671      7.08119824    -13.83178285
  O     14.90082416      9.21670233    -14.32739428
  H     13.94238328      6.88844657    -10.53282262
  H     18.48267603     10.02861717     -8.89189972
  O     11.07224773     10.49214304    -12.46179033
  H     14.59684441     10.87722119    -11.84038206
  H     17.06039215      9.63770036     -9.35783015
  O     17.60424082      6.81934713    -10.14206308
  H     14.96635132     11.99212686    -12.89051170
  H     16.46092639      9.71441327    -16.98549519
  O     11.52258227      7.78679302    -13.26787639
  H     15.58217598      6.36805183    -17.05356664
  H     15.90459260      8.51786842    -17.74804262
  O     17.91661519      7.18548442    -12.90217400
  H     16.42897966      6.05337043    -18.31040870
  H     12.52904297     10.21073101    -11.33172054
  O     18.00295813      9.61169272     -9.60264714
  H     15.09285682      5.91653237     -8.43022465
  H     13.44500255      8.98860851    -11.09319425
  O     15.75981619      9.46306519    -17.59509498
  H     16.00439551      6.58397253     -9.48738597
  H     15.01572349     12.97079553    -14.92388183
  O     13.36722438      9.94191267    -10.93613974
  H     17.68376317      7.01359853    -16.32061069
  H     14.51983953     14.21243204    -14.14572323
  O     14.45907186     13.26128805    -14.18027406
  H     18.16940858      8.27835202    -15.60303880
  H     14.00353132      9.61291242    -16.99412043
  O     13.19787749      9.74091605    -16.47401226
  H     14.66115651      5.98095124    -15.04534612
  H     12.72656909      8.89757601    -16.42507461
          69
 Energy    -248.41009165562693     
  O     14.68137454     11.54170454    -14.99532006
  H     15.55376729     11.64097589    -14.59882479
  H     14.08003322      6.10317890    -16.50548699
  O     14.60410158      5.88438957    -13.43607312
  H     14.77110634     10.86800635    -15.68527252
  H     18.62749860      6.16665647    -13.26337283
  O     16.38658208      8.03577039    -10.10879227
  H     14.99305460      6.71134554    -13.76578337
  H     19.00398804      6.54864292    -11.82527229
  O     18.91917452      9.52820726    -13.39504887
  H     15.15971819      5.60779763    -12.69695711
  H     17.83391597     10.90458360    -13.57924940
  O     12.85604068      7.49621550    -16.93378365
  H     16.23820050      8.68149463    -10.81798320
  H     17.68974017     12.43644828    -13.44626896
  O     13.82763639      8.32091679     -9.11890662
  H     15.58563069      8.07608708     -9.56837178
  H     15.74725813      8.81614823    -13.51242418
  O     12.39968695      7.12074106    -12.31438431
  H     19.01305239      9.16217047    -12.50690447
  H     15.45524646      8.65006745    -15.04843898
  O     15.72703341      9.84363936    -12.02179101
  H     18.84863341      8.76541803    -13.98306260
  H     13.13391301     11.32593925    -14.24468075
  O     17.28222969      5.80077965    -17.11842735
  H     12.18754395      7.39196923    -17.60563695
  H     11.71562416     11.89581686    -14.00912579
  O     12.28210807      5.96578683     -9.74092553
  H     12.40037973      7.80882499    -16.13091973
  H     14.48746136      3.19349628     -9.81473427
  O     18.24509936      7.15578884    -14.80348852
  H     13.49412246      8.95133423     -9.76935767
  H     15.04501616      4.52542389    -10.34186259
  O     14.75280790      5.47837717    -16.20858956
  H     13.28411206      7.53044595     -9.22231678
  H     11.80696952      7.94224040    -13.87736281
  O     18.73134335      5.80305035    -12.37359039
  H     13.13160368      6.63284668    -12.72028744
  H     11.83912316      9.37712917    -14.45051974
  O     17.19046963     11.63609244    -13.58604283
  H     12.22316894      6.69600696    -11.46677575
  H     19.63186753      8.37050546    -10.07888311
  O     15.76690088      8.19891880    -14.25436905
  H     14.78078417      9.96710876    -11.86025894
  H     18.15174754      8.14788850    -10.45150202
  O     12.26995669     11.13987738    -13.83506342
  H     16.10566998     10.63491532    -12.42020198
  H     16.24664631      6.34084453    -10.80020824
  O     14.28164716      4.12079304     -9.89800931
  H     17.56584399      4.98252003    -17.51686308
  H     17.13798580      5.40098008    -11.63905711
  O     11.70785655      8.45275610    -14.69180236
  H     16.37335280      5.65410449    -16.79842235
  H     17.98744892      8.77745675    -18.12094315
  O     19.04830503      8.21981385    -10.81871792
  H     11.57041175      5.63039957     -9.20188374
  H     17.19158498      7.49620585    -17.83852642
  O     16.26824671      5.46965490    -11.22015194
  H     12.96318693      5.27157483     -9.77083532
  H     12.82009351      8.82712410    -11.80072660
  O     17.10090514      8.42237956    -18.10857597
  H     17.37558660      7.52191353    -14.57466901
  H     12.66372948     10.30936066    -12.21528220
  O     13.02523275      9.73462535    -11.52877831
  H     18.09668196      6.63592549    -15.60016518
  H     15.68584323      9.09872693    -17.23217590
  O     14.94409305      9.35176184    -16.66442078
  H     14.65443093      5.42076454    -15.24882255
  H     14.20823345      8.75953933    -16.86474515
          69
 Energy    -248.40998497354062     
  O     11.34049292     10.04019027    -15.26903879
  H     11.94646719     10.69554373    -15.63264738
  H     13.72397825      5.03400622    -14.33016523
  O     15.47741069      7.03590003    -12.65578734
  H     11.63556310      9.18624731    -15.61485606
  H     14.27796645     10.54608733    -17.36568480
  O     16.95736589     10.83166423    -12.53159284
  H     16.39330447      7.31029883    -12.53522382
  H     15.66137271      9.87256616    -17.40143520
  O     16.95908891      9.58604673    -16.15878211
  H     15.14150905      7.57981388    -13.38609852
  H     13.96329570      8.32680084    -15.21589544
  O     11.88811380      5.57061195    -14.28036796
  H     16.13135612     10.98265926    -13.01206221
  H     15.42473928      8.90684325    -15.29724312
  O     15.77260273     10.96913159    -10.05346292
  H     16.72252122     10.93057537    -11.59816524
  H     10.96883093     10.01143734    -13.57442253
  O     13.89813236      7.86805651    -10.58357118
  H     17.40586437     10.35609826    -15.77944180
  H      9.88065371     10.23915778    -12.50062246
  O     14.40508657     11.13158988    -13.63899010
  H     17.52071076      8.82290642    -15.97686260
  H     18.75031746      6.73172986     -9.89982351
  O     16.20652941      6.03069420    -16.37510843
  H     11.18891821      4.92457989    -14.22861593
  H     18.21284613      7.74738150    -10.91853020
  O     15.93968912      8.43459536     -8.70052737
  H     11.79525915      6.14590499    -13.49920925
  H     12.34779847      7.36154408    -11.51742268
  O     18.32549756      7.28954825    -15.30948038
  H     14.84917402     10.99815783    -10.33421237
  H     11.28525401      8.13541927    -12.32262914
  O     14.68334876      4.94072274    -14.34347164
  H     15.85651559     10.17289678     -9.51518554
  H     17.91187779     11.45458500    -13.93565278
  O     14.80647764      9.90644777    -17.85597301
  H     14.45428113      7.52348673    -11.30013186
  H     18.73045190     12.44934861    -14.77564736
  O     14.70345714      8.66947151    -14.69989093
  H     14.48333703      7.98311299     -9.82648851
  H     18.19710986      7.94412567    -13.54226919
  O     10.78100140      9.94893797    -12.62081871
  H     13.95308994     11.05504857    -12.78852632
  H     17.68752123      9.13685102    -12.66285213
  O     18.15810030      7.47449404     -9.98886690
  H     14.44909825     10.22874176    -13.99609453
  H     14.45573005      8.22265840    -18.14035092
  O     11.65097459      7.25475640    -12.17742764
  H     15.59825022      6.40101943    -17.02243135
  H     14.21410491      7.03209429    -19.09856994
  O     18.24236306     11.63220994    -14.83087976
  H     15.66505562      5.56964552    -15.71632425
  H     12.29008210     10.42976954    -11.61100774
  O     18.01926713      8.22762654    -12.63704435
  H     16.73956012      8.07455422     -9.12063130
  H     13.43363151      9.59365262    -11.00448581
  O     14.28544966      7.26365662    -18.17641497
  H     16.05467036      8.33434803     -7.75902053
  H     13.81761663     11.69120642    -15.23790611
  O     13.17458681     10.49982998    -11.22958860
  H     17.57841637      6.77862284    -15.67427485
  H     13.41527887     12.73544863    -16.30168979
  O     13.43812148     11.79768210    -16.12669477
  H     19.12023158      6.90298073    -15.66759591
  H     12.26575297      6.84491092    -15.54969064
  O     12.49307946      7.62882330    -16.06719800
  H     15.00585334      5.52011711    -13.63935524
  H     12.98658776      7.35386682    -16.85019934
          69
 Energy    -248.40994551179713     
  O     -8.10542642     -2.17120010      5.94412438
  H     -7.34186534     -1.70585586      6.30183046
  H     -6.52618469     -1.85505819     -0.09873257
  O     -9.61317143     -2.64421763      1.76030818
  H     -8.83311751     -1.53468010      5.98697669
  H     -4.35369794      0.98512586      2.02444194
  O     -7.99980916     -3.82505335      3.81983810
  H     -9.12555642     -3.12465927      2.43974452
  H     -3.08853510      1.68615430      2.58805313
  O     -5.23533477      0.76462816      0.39617065
  H    -10.07034015     -1.92978423      2.22348068
  H     -6.96203545     -0.70639595      3.08940070
  O     -7.41802499      1.61634507      5.47326563
  H     -8.09622501     -4.72589849      4.11629908
  H     -7.41533550      0.53104706      3.94332376
  O     -5.09164727      5.24061752      0.60118318
  H     -8.07203862     -3.26026712      4.61174279
  H     -5.35063707     -0.56445119      6.08597955
  O    -10.54729541      2.17487887      1.70768348
  H     -5.22724176     -0.18484440      0.21882552
  H     -5.53664763     -0.45133737      7.62085622
  O     -9.88429689     -0.03078358      5.88612416
  H     -6.16169597      1.03523928      0.39179719
  H     -0.96887785      3.15472250      2.16506955
  O     -4.37087857     -0.85155567      4.70568600
  H     -6.71972294      2.19550450      5.13118116
  H     -2.38784501      3.72776517      2.40734007
  O     -3.70246040      3.06335873     -0.21689541
  H     -6.97899269      0.97403194      6.04919117
  H     -8.72916257      2.80514855      4.46115671
  O    -10.31293526     -0.28674240      3.10997861
  H     -4.60262539      4.48618620      0.22542942
  H     -8.47815801      3.70143778      3.23226980
  O     -5.57939625     -2.01767048      0.07458106
  H     -5.05350610      5.94478760     -0.04024000
  H     -5.77019404     -2.27664841      1.92272708
  O     -3.86788125      1.17438521      2.83833221
  H    -11.31052648      2.68883823      1.45836360
  H     -6.58756485     -2.89107102      3.11372002
  O     -7.53286536      0.07150939      3.10401113
  H    -10.15757543      2.60630467      2.49003635
  H     -8.71456245     -1.85809741      0.43173809
  O     -6.00298376     -0.39802035      6.79118236
  H     -9.22376259      0.66869246      5.86358272
  H     -8.29932313     -0.43806350     -0.03143042
  O     -1.89364985      2.99344553      2.00038518
  H    -10.23196277     -0.09421203      4.98559343
  H     -4.17851775      4.41306777      3.59291797
  O     -9.17723741      3.30098071      3.76872580
  H     -4.82131881     -1.47204840      4.11567729
  H     -4.07557856      5.18143700      2.26176724
  O     -5.93250239     -2.22249855      2.87203945
  H     -4.06601838     -0.13805907      4.13080479
  H     -4.92352628      2.36154557      3.73560172
  O     -8.16129433     -1.37323667     -0.20165109
  H     -2.96583301      2.99407814      0.40349953
  H     -6.04906380      3.36366690      3.37735116
  O     -3.56054914      4.88947632      3.02436532
  H     -4.19311980      2.23420635     -0.14412847
  H     -7.77483883      0.93981488      1.63068976
  O     -5.49316720      3.05147915      4.10626006
  H    -10.58421964      0.48708389      2.60328025
  H     -8.90074272      1.70688672      0.89848901
  O     -7.97971562      1.42821382      0.81274477
  H     -9.34329601     -0.26098234      3.13135031
  H     -6.49019700      4.41990282      1.45025762
  O     -7.09002525      3.88003638      1.98102723
  H     -5.27312050     -2.62573273     -0.59229826
  H     -7.33454115      3.10872382      1.45491290
          69
 Ord_Energy   -248.409836    
 O   -7.52049160      -1.40433478      -1.40453994    
 H   -6.77327871      -1.78501523     -0.933602810    
 H   -7.41165304     -0.446330160      -1.30491161    
 O   -9.27331638      -1.89231873       4.38759804    
 H   -8.73693371      -1.38419533       5.01308107    
 H   -10.0562019      -1.36159956       4.19416428    
 O   -4.66137552      -2.63232589       3.41618586    
 H   -5.09448099      -3.47446299       3.60366058    
 H   -4.80649424      -2.46873116       2.47731876    
 O   -6.42005157      -4.69917965      0.857788801    
 H   -6.18908978      -4.93060589       1.76714015    
 H   -6.01324558      -3.83937073      0.694541156    
 O   -9.13570023      -4.78990841      0.807504416    
 H   -9.42638302      -5.61412573      0.425235480    
 H   -8.16295910      -4.78351212      0.751579106    
 O   -5.11821985       3.76628613       4.61694670    
 H   -6.02613640       3.74746585       4.96995783    
 H   -4.84490824       4.67975044       4.61155367    
 O   -7.59846163       3.53562403       5.70443439    
 H   -7.47751570       3.02051544       6.51225758    
 H   -8.28927326       3.08137870       5.20499706    
 O   -11.2644224     -0.129497126      0.980513155    
 H   -11.1351461      0.594030619      0.371101469    
 H   -10.8022852     -0.889232397      0.591189742    
 O   -6.07361460      -5.07683706       3.66155910    
 H   -7.02711344      -4.89823771       3.74712038    
 H   -5.88927126      -5.84812689       4.19063902    
 O   -7.84811687       1.45369983       1.96294427    
 H   -8.38939571       1.71210241       2.71864009    
 H   -7.88063288      0.484965742       1.93739510    
 O   -5.20956087       1.75851750       2.66900945    
 H   -6.14771938       1.72904587       2.42494226    
 H   -5.09360981       2.50637102       3.26808095    
 O   -4.54197741       1.68962705       6.54215097    
 H   -4.60901308      0.913403094       5.96750498    
 H   -4.55655289       2.44989634       5.94844055    
 O   -7.68888855     -0.120425120       5.79002666    
 H   -7.54548645      0.389757782       6.59571266    
 H   -6.82108068     -0.223124653       5.36991882    
 O   -8.73290920      -4.54288387       3.66633177    
 H   -9.00259495      -3.67238641       3.98871469    
 H   -9.02406025      -4.60468912       2.74901152    
 O   -11.3569012      -8.96823928E-02   3.69282460    
 H   -12.2709122     -0.127172634       3.96287608    
 H   -11.3521328      -9.99500006E-02   2.71956015    
 O   -7.92300987      -1.30663824       2.00247598    
 H   -8.29050541      -1.56912029       2.85476351    
 H   -8.55326653      -1.58593571       1.32418752    
 O   -6.94702959       1.23538721     -0.723812103    
 H   -6.01632309       1.10030890     -0.509225190    
 H   -7.36496639       1.47821712      0.112426557    
 O   -5.55747890      -1.99671066      0.752012253    
 H   -5.06620979      -1.18632889      0.567585945    
 H   -6.36136246      -1.74028516       1.23428500    
 O   -6.94229078       1.69853210       7.81250668    
 H   -6.03142834       1.69435704       7.46530581    
 H   -6.87644863       1.73307383       8.76258850    
 O   -5.19676924     -0.257248700       4.63711357    
 H   -4.95203114      -1.12357521       4.28116322    
 H   -5.15964079      0.379078150       3.91183114    
 O   -9.70197487      -2.17043352       2.48374809E-02
 H   -9.01442051      -1.94185281     -0.621653974    
 H   -9.61763477      -3.10990858      0.231121421    
 O   -9.26057720       1.70585454       4.35248995    
 H   -8.69810963       1.08196771       4.83680582    
 H   -10.0786982       1.23141181       4.16431046    
 O   -4.34351301      0.523759842      0.383672476    
 H   -3.46499491      0.779166102      0.113335572    
 H   -4.53265142      0.998979568       1.21048105    
          69
 Energy    -248.40964089124265     
  O     -7.92370696     -2.48618934      6.13509753
  H     -8.42800613     -1.69228809      6.38890969
  H     -4.23494865      1.03720075      1.28227962
  O     -9.02701867     -2.59278043      3.46444643
  H     -8.07859512     -3.13393970      6.81813818
  H     -6.64330277     -0.21640704      3.27853402
  O     -5.31750624      0.87525435     -0.18008989
  H     -8.55400816     -2.72719112      4.29274326
  H     -6.97991380      0.96449249      4.20425525
  O     -6.06175448      1.60789349      5.70466312
  H     -9.55460616     -1.79285507      3.61141293
  H     -6.26729835     -1.62191494      5.93566534
  O     -5.16403836      5.53039810      0.55542011
  H     -5.49757585     -0.07117722     -0.17327664
  H     -5.20841904     -1.25846956      4.87892528
  O     -9.71330525      0.60727794      0.47676159
  H     -6.09734334      1.30246711      0.21006951
  H     -0.86782911      3.12403866      1.16188301
  O     -9.36044568     -0.22273334      6.62619682
  H     -6.84363557      1.87275411      6.20297227
  H     -2.18452947      3.73358678      1.70131536
  O     -5.07458503     -1.16919579      2.95139792
  H     -5.84182055      0.68461954      5.90319638
  H     -9.68497800      3.04408399      3.51413697
  O     -4.01271816      3.35351719     -0.62959898
  H     -5.21203183      6.24783310     -0.07082999
  H     -8.37199986      3.86265761      3.55488997
  O     -9.99400241     -0.06525782      3.93920958
  H     -4.80371932      4.76437865      0.07407843
  H    -10.59245420      1.56670503      1.66575093
  O     -5.97766742     -1.86902780      0.31904526
  H     -8.90833819      1.14314873      0.54555877
  H    -11.80831599      2.40784127      2.11855914
  O     -3.69129887      1.09133231      2.08202809
  H     -9.42890134     -0.30428398      0.59761943
  H     -9.29262508     -2.72563316      0.37690065
  O     -7.30619603      0.46558211      3.44420803
  H     -9.09054463      0.68469059      6.80569920
  H     -8.76404559     -2.34973106      1.77776853
  O     -5.48186045     -1.07973104      5.78740369
  H     -9.76178351     -0.18563242      5.74544292
  H     -8.74870877      3.21643709      7.25269870
  O     -1.81077938      2.99014198      1.19421239
  H     -4.46916533     -0.43776753      2.75804776
  H     -8.75479554      2.86139729      5.74896820
  O     -9.03784341      3.43816513      4.11020091
  H     -5.31007066     -1.55416170      2.09965043
  H     -3.78210691      5.31889441      1.92068603
  O    -10.96612602      2.06974204      2.41091681
  H     -4.45204764      2.49465017     -0.66824909
  H     -3.67091593      4.39123042      3.14254493
  O     -8.68463798     -2.14454932      0.82853240
  H     -3.18559466      3.20676793     -0.15393494
  H     -5.16305082      2.62748875      4.56324408
  O     -8.54119921      2.51946752      6.63582600
  H    -10.49560853      0.62534100      3.49410523
  H     -4.45616957      2.35248760      3.21003705
  O     -3.14684355      4.93671831      2.53810463
  H     -9.05720361      0.12572142      3.76703529
  H     -7.40752692      1.42431122      1.95989162
  O     -4.80635206      3.05599697      3.77273194
  H     -6.93394053     -1.95949459      0.46040793
  H     -7.30004882      2.87815313      1.45952189
  O     -7.42135992      1.97005879      1.15776864
  H     -5.69978775     -2.63908953     -0.17206095
  H     -6.42196617      4.89486878      1.80807340
  O     -6.88067949      4.34942531      2.45868549
  H     -2.91281524      1.60868047      1.84193402
  H     -6.18390032      3.91511406      2.97559621
          69
 Energy    -248.40963919719692     
  O     14.62529030      3.42195094    -10.44720502
  H     14.48750564      2.46602531    -10.45265322
  H     16.71294600      5.49806900    -15.41103104
  O     12.46190111      4.44285768    -11.91951274
  H     13.86708476      3.81258776    -10.90411798
  H     13.92961582      9.03682787     -9.19668076
  O     16.69362927      3.53170108    -12.30175934
  H     12.82891068      4.96343127    -12.64628683
  H     13.79294275     10.38068513     -8.43621274
  O     18.50583618      7.58493354    -13.40369541
  H     11.90474838      5.04331859    -11.40966535
  H     14.66875802      7.12270500    -10.94717157
  O     11.93690795      8.03374629    -12.68697843
  H     17.28414048      4.23146016    -11.99428117
  H     15.56858489      7.78764890    -12.03580018
  O     12.60268082      1.84817743    -13.01189647
  H     15.97384622      3.49662114    -11.65471713
  H     14.05711359      6.64034184     -8.98363176
  O     14.27716254      0.67342402    -11.00012572
  H     18.19553691      7.12641343    -14.19379042
  H     12.70925089      7.02079852     -9.70930897
  O     16.39788423      9.24455008    -12.85797560
  H     18.43530673      6.94365946    -12.68349392
  H     13.63774622      1.80060775    -14.41799897
  O     16.84109041      9.29671150     -9.94558995
  H     12.52141161      8.78406906    -12.50051053
  H     13.92810490      1.27294749    -15.84307029
  O     13.74649431      6.06927751    -13.83305863
  H     12.41568218      7.45220133    -13.28614142
  H     11.33834260      7.13600044    -11.35063295
  O     15.22971149      8.22532517    -15.13069394
  H     13.02314009      1.36007933    -12.29309383
  H     10.22600791      6.68507974    -10.36713626
  O     17.24969231      6.26535782    -15.66620815
  H     12.39668747      2.72059258    -12.65154778
  H     16.83818264      6.15055023    -11.49197635
  O     14.20325335      9.97187008     -9.19323538
  H     14.31022878     -0.15616504    -10.53197572
  H     17.93824604      6.12031975    -10.42358691
  O     15.21517666      6.94384333    -11.72210155
  H     14.96870395      0.64003313    -11.68537693
  H     15.17852416      3.40132772    -15.03860598
  O     13.57083307      7.35117577     -9.43069834
  H     17.25559579      8.80857299    -12.98409144
  H     16.02779167      4.00859356    -13.89591968
  O     14.30820920      1.77097824    -15.12447926
  H     15.92501524      9.07246501    -13.68780863
  H     15.59819615      1.05182393    -13.82876336
  O     11.13934320      6.54432522    -10.59987472
  H     15.99589216      9.63258980     -9.61867347
  H     16.51011467      1.73038139    -12.79250022
  O     17.74718486      5.85098911    -11.32955869
  H     16.83589847      9.45601241    -10.89500226
  H     16.07461741      5.79664400     -8.56763474
  O     15.61818777      4.21120472    -14.75124124
  H     14.29452961      5.40942877    -14.27795907
  H     15.13258301      4.67019385     -9.10002726
  O     16.09567361      0.88569708    -13.01918432
  H     14.26966342      6.38219756    -13.07422119
  H     17.38311784      7.79775856     -9.16723937
  O     15.19312892      5.41355588     -8.48563461
  H     14.54240588      7.60704287    -14.86126132
  H     18.26195866      7.15157499     -8.07304460
  O     17.65086928      6.94730753     -8.77610686
  H     15.95383408      7.66619466    -15.44230413
  H     14.63651335     10.03073543    -12.34387921
  O     13.73549134     10.05372285    -12.00504465
  H     17.69512267      6.02881500    -16.47669214
  H     13.82348084     10.17079364    -11.05081812
          69
 Energy    -248.40927469140274     
  O     11.13887528      8.92353737    -14.86453518
  H     10.74679051      8.31872729    -14.22463548
  H     17.36254292      7.20446630    -11.11435385
  O     16.44750886     10.42424760    -12.43852016
  H     11.52993360      8.37211785    -15.55318303
  H     12.73423361      3.21178148    -11.69448566
  O     14.26267030      4.52832841    -14.00538050
  H     15.67800172     10.62391840    -11.89153795
  H     13.68242098      4.16090494    -10.92318735
  O     16.10016888      2.34757326    -10.95115067
  H     16.73791956      9.53916886    -12.17729196
  H     13.55976850      6.09472973    -13.40872784
  O     15.60779630     10.48388812    -15.00215422
  H     15.12857322      4.95773455    -13.98688469
  H     13.74853740      7.53693143    -13.89936939
  O     13.89601447     10.70061982    -11.12506448
  H     14.13967966      4.05223694    -13.17305197
  H     13.50544930      7.50914080    -16.37319199
  O     10.95817006      3.32674246    -11.84795706
  H     16.09934319      1.39784273    -10.86308280
  H     12.72107725      7.58812884    -17.70273550
  O     16.08206859      4.52322658     -9.08590921
  H     15.19713946      2.60555179    -11.20383034
  H     12.92702059      4.55787245    -15.26310883
  O     13.03763332     10.56984079    -13.66797169
  H     16.05205624     11.16581808    -15.49799370
  H     12.27128651      5.59994110    -16.19858135
  O     17.85105750      4.14231893    -12.39478132
  H     15.98018823     10.50196917    -14.10160248
  H     17.12769395      5.33376256    -13.57146888
  O     18.18382453      5.89590676    -10.11299919
  H     13.50965941     11.44755258    -10.67700944
  H     16.63794084      6.73462749    -13.19948658
  O     16.81310185      7.76156513    -11.67989873
  H     13.50946685     10.67711658    -12.02082568
  H     15.26657010      8.73045711    -15.30947578
  O     13.66809369      3.41688149    -11.54159174
  H     10.76001255      4.04230630    -11.23131494
  H     15.61331686      7.22457768    -15.03419994
  O     13.32825605      7.01178107    -13.20868803
  H     10.58603275      3.60623367    -12.69382901
  H      9.20437282      4.21813170    -14.75831200
  O     12.63611175      7.35537886    -16.78117254
  H     15.17453561      4.84821554     -9.13057099
  H     10.71675547      4.53768267    -14.84699648
  O     12.13343238      4.73870356    -15.78638591
  H     16.10571097      3.70373020     -9.59672350
  H     14.03930396      8.90354301    -10.75784147
  O     16.60228436      6.07519370    -13.90714888
  H     12.34204499     10.05710170    -14.10264662
  H     13.84364572      7.64244675    -11.64408422
  O     14.94506570      7.82281101    -15.39358855
  H     13.78968838     10.60593050    -14.26835711
  H     10.29841625      6.10325375    -13.36015578
  O      9.95300703      4.50370958    -14.24217472
  H     17.30951367      3.45018714    -11.99721251
  H     11.55308490      6.95348290    -13.00201366
  O     14.19064906      7.95086478    -10.79152926
  H     18.11661406      4.70846168    -11.65930261
  H     10.61893056      6.23860910    -11.15445194
  O     10.59706268      6.87281697    -12.85588857
  H     18.89570084      5.94002309     -9.48044496
  H      9.96520384      6.05726204     -9.76794749
  O     10.68939840      5.75840892    -10.31275589
  H     17.44164126      5.44538109     -9.67145065
  H     13.78069432      6.40869508     -9.98496880
  O     13.47586530      5.52785028     -9.72033906
  H     15.93130435      7.79074842    -11.28141106
  H     12.51267325      5.56380730     -9.76684712
          69
 Ord_Energy   -248.409256    
 O   -5.28182650      -2.06565380       3.67139220    
 H   -5.15808439      -1.60049415       2.82834005    
 H   -6.06134653      -1.66731536       4.07321692    
 O   -3.20197272       1.48420560       3.89668941    
 H   -4.17039394       1.46688938       3.88795638    
 H   -2.94537473       2.41441798       3.92676735    
 O   -7.33818245       7.26913810E-02  0.129211068    
 H   -7.14061356      0.979162812      0.404517561    
 H   -7.28789520       3.97167690E-02 -0.838214874    
 O   -8.80481625      -1.33179212       2.02929997    
 H   -8.69944286      -2.19060946       1.61056995    
 H   -8.47293949     -0.698625028       1.37560356    
 O   -2.63507724      -1.28898799       4.22741556    
 H   -3.52657533      -1.66108942       4.18587160    
 H   -2.75156760     -0.333008587       4.30034828    
 O   -4.14654064      0.618982792      -2.66631103    
 H   -3.98203897     -0.322909534      -2.47708058    
 H   -3.71629739      0.807495058      -3.49693298    
 O   -3.31257463      -2.92557001      0.390988857    
 H   -2.50806952      -2.69000936      0.868101656    
 H   -3.95844936      -2.23913121      0.622980177    
 O   -7.61025953     -0.577611804       4.35756016    
 H   -8.09354973     -0.866238177       3.56384397    
 H   -8.21889591     -0.642133534       5.08909082    
 O   -3.91323256       2.25407577     -0.388587207    
 H   -3.29859352       1.74575770      0.162522018    
 H   -4.00306988       1.76888430      -1.21801877    
 O   -6.35843754       5.14725208       1.70437157    
 H   -6.15410805       4.96694708       2.63990641    
 H   -6.94082165       5.90128899       1.68587005    
 O   -2.52221727      0.674722970       1.34371030    
 H   -1.96129298     -0.106502429       1.41819978    
 H   -2.68482447      0.994087577       2.24404335    
 O   -5.96900797       1.63207746       3.69113946    
 H   -6.11919498       1.82448637       2.75527453    
 H   -6.55609131      0.910602868       3.94497108    
 O   -5.51786757      -4.13277531       1.72289228    
 H   -4.67646170      -3.99352336       1.26933753    
 H   -5.46357632      -3.61189198       2.53465080    
 O   -7.36375523      -2.97176504       3.80814783E-02
 H   -7.25123501      -2.02718210      0.186758831    
 H   -6.75080490      -3.42905426      0.636053324    
 O   -5.59243584       4.38378716       4.19551039    
 H   -4.62798405       4.42432451       4.18373346    
 H   -5.81300402       3.44218612       4.20462608    
 O   -6.56259632      -2.99813604      -2.58436251    
 H   -6.88809538      -3.09852958      -1.67361403    
 H   -6.93535662      -3.71621490      -3.08904815    
 O   -6.90899229     -0.155313313      -2.53749824    
 H   -6.85528088      -1.10328901      -2.71405458    
 H   -6.01951170      0.193700045      -2.67519903    
 O   -6.30933714       2.43653321       1.00538397    
 H   -6.47561550       3.37321925       1.16662180    
 H   -5.48266220       2.38163114      0.502969384    
 O   -1.23919618      -1.77418756       1.95762706    
 H  -0.341095209      -2.03251243       2.14532089    
 H   -1.68970358      -1.67540264       2.81672812    
 O   -2.77094460       4.24952888       3.66520929    
 H   -2.98217082       4.40329504       2.72698259    
 H   -2.06099415       4.84531498       3.88893652    
 O   -3.90028524      -2.03392076      -2.20206714    
 H   -4.74737310      -2.45820570      -2.38709807    
 H   -3.57560921      -2.42951035      -1.38305259    
 O   -3.58755374       4.65726280       1.09562385    
 H   -4.50207138       4.95499468       1.17845929    
 H   -3.60163140       3.92871428      0.462151378    
 O   -4.90149784     -0.808466136       1.23093700    
 H   -5.65493441     -0.406812549      0.785692275    
 H   -4.15807533     -0.192695066       1.21077144    
          69
 Energy    -248.40921893993857     
  O     20.92032759     12.11353575    -18.68759731
  H     21.43333653     12.79002862    -18.20955099
  H     20.34109325     18.68907622    -17.53632592
  O     15.89459309     17.59267454    -14.25223098
  H     21.52250438     11.68518686    -19.28990354
  H     15.39746299     12.96574412    -13.52562873
  O     22.24307851     14.71937272    -14.49230093
  H     15.36359664     18.37308995    -14.11749889
  H     16.60755745     12.11223509    -13.10486993
  O     16.93347758     12.00329699    -17.16483177
  H     16.26355632     17.66136936    -15.15232143
  H     20.07237714     17.07656250    -13.83125928
  O     18.55259166      9.66499989    -11.97709648
  H     23.03054866     14.82137114    -13.96382470
  H     20.61127190     17.53392436    -15.19977047
  O     15.73327390     10.13790916    -15.44915046
  H     21.77315426     15.57136495    -14.45561996
  H     18.96108803     12.54104897    -12.87136584
  O     22.08591377     14.11853439    -17.28822391
  H     16.47903449     11.25848300    -16.75237083
  H     18.35319784     11.42511531    -11.98353425
  O     19.70969632     15.51239651    -17.61272085
  H     16.52985332     12.79601935    -16.78124541
  H     17.45044112      9.46710053    -14.96275263
  O     15.22675011     14.94088241    -13.43431150
  H     18.80120378      8.84859997    -11.55358798
  H     18.89896676      9.88162663    -15.27021984
  O     20.12716129     12.89122683    -14.18081413
  H     18.52092121      9.47556973    -12.93084878
  H     16.98369693     15.12867585    -18.95745555
  O     18.40787240     13.51358632    -19.06625177
  H     14.91683842      9.64706029    -15.41677795
  H     16.09578990     15.26064257    -17.71623417
  O     19.91585060     18.12066007    -16.89886968
  H     15.68090431     10.81887778    -14.75332075
  H     18.07428088     16.11199275    -12.46023813
  O     15.74865043     12.06995344    -13.54541983
  H     22.30303275     14.25628186    -16.36007452
  H     17.53272958     17.16953657    -13.45387944
  O     20.86205399     17.07675584    -14.38797017
  H     21.33000238     14.70088706    -17.45583022
  H     16.86054623     17.17734686    -17.38204009
  O     18.26255183     12.35800421    -12.22683154
  H     19.31564880     15.33340619    -16.74439222
  H     17.98780463     18.02731176    -16.74217892
  O     18.36579477      9.32330732    -14.69138612
  H     19.24021280     14.93841697    -18.23023383
  H     17.11771834     14.76147094    -10.49565584
  O     16.42814822     15.75213541    -18.48223890
  H     15.85875670     14.86085482    -12.70781015
  H     17.66356188     13.88877762    -11.64838305
  O     18.34221409     16.74371457    -13.14060169
  H     15.31121931     15.85707905    -13.73189135
  H     20.06827167     11.45865022    -17.15195397
  O     17.05489738     17.80110871    -16.66798432
  H     20.93373282     13.41445159    -14.26652132
  H     18.62712506     11.58630189    -16.61048712
  O     17.28410658     14.75909031    -11.43495092
  H     20.04942868     12.29809730    -14.94287423
  H     19.03823087     14.14194876    -14.85982050
  O     19.52661698     11.32337813    -16.36580560
  H     19.23460783     13.01876560    -19.13056476
  H     18.48475470     15.56096438    -14.55232373
  O     18.52124670     14.87094540    -15.22571709
  H     17.82239773     12.95674407    -18.53431874
  H     15.48720338     14.47012151    -15.28819327
  O     15.98966815     14.35990018    -16.10075338
  H     19.89463346     17.22886596    -17.28906902
  H     16.90421779     14.56638622    -15.84548163
          69
 Energy    -248.40916482192324     
  O     17.26505717      5.29599764    -10.09601122
  H     16.62278054      5.13234388    -10.79277196
  H     20.34180523      9.34675266     -8.71465376
  O     17.99202661      4.96957517    -13.49625371
  H     17.69701198      6.13947727    -10.30400648
  H     17.02844640     10.08778163    -13.02652469
  O     18.75044007      7.67927091    -13.42759019
  H     17.98522422      4.33080662    -14.20591645
  H     16.06653616      9.81102656    -14.20851556
  O     22.27087967      6.55552620    -11.13598161
  H     17.09802123      4.97096668    -13.11852860
  H     19.58608372      4.74148268    -12.25019304
  O     15.51113007      5.18227337    -12.25527990
  H     18.50393034      6.75614684    -13.56811912
  H     20.14193668      4.35070019    -10.85585022
  O     21.23861827      8.73336496    -12.64719825
  H     17.96987522      8.22488649    -13.59087019
  H     13.31058797      7.34502299    -11.22755622
  O     14.07676807      5.14928696     -8.02948842
  H     21.61652123      5.87924645    -11.39195062
  H     12.69910997      5.99001143    -10.83403622
  O     20.64286010      7.46362292     -9.01450714
  H     23.13008882      6.15337514    -11.22900451
  H     15.96929866      7.59234800     -8.27904284
  O     18.43112862      7.72238605    -10.64609680
  H     14.80023890      4.72566675    -11.78651659
  H     14.58127000      8.24034286     -8.50527643
  O     19.54805396      5.88983808     -7.03121392
  H     15.36985462      6.13000830    -12.10411313
  H     15.55305548      8.44234959    -12.16948321
  O     17.36254995     10.13794129     -9.62847196
  H     21.65736986      8.01045308    -12.16443004
  H     15.35223040      8.03331802    -10.66942555
  O     19.96722070     10.23345001     -8.78111476
  H     20.44858939      8.36317145    -13.06243739
  H     21.40546758     11.71594152    -11.65257061
  O     16.51670022      9.39171339    -13.48006171
  H     13.58203797      5.97427503     -7.94708825
  H     20.95479407     10.25274448    -11.86682360
  O     20.38576983      4.72169904    -11.71802521
  H     14.96190844      5.34219499     -7.69631607
  H     16.84488286      5.71504887     -8.45915712
  O     12.52439696      6.93904678    -10.83637037
  H     21.35084938      7.16855077     -9.59902688
  H     17.60997088      6.04747975     -7.17429519
  O     15.51156245      8.30015828     -8.75337126
  H     19.86286100      7.54681658     -9.58540718
  H     12.58386106      7.48933655     -9.16554592
  O     15.08966595      7.83730163    -11.57825536
  H     18.62298142      7.76051185    -11.59123516
  H     12.03231160      8.14055361     -7.87282560
  O     20.72680885     11.08764701    -11.42013510
  H     18.06589386      8.57519722    -10.37927050
  H     17.62426519     10.94374032    -11.19615130
  O     16.72875962      6.07084204     -7.56225609
  H     19.97942719      6.47585982     -7.67561711
  H     18.90432734     11.23834919    -11.98694340
  O     12.79878010      7.71087454     -8.24185619
  H     20.07799887      5.92517810     -6.23856777
  H     19.64486648      4.39357407     -8.39891522
  O     17.94806502     11.16520619    -12.08335337
  H     16.70914555      9.63001244     -9.13181964
  H     18.63833082      4.23727855     -9.53272114
  O     19.49409792      3.90990274     -9.21735192
  H     18.18473700     10.21698292     -9.11995947
  H     13.75350760      4.49749658     -9.63258621
  O     13.50786081      4.23726032    -10.53845753
  H     20.28574222     10.58854976     -9.62218547
  H     13.01510150      3.42428604    -10.46266184
          69
 Energy    -248.40913381729925     
  O     16.23233138      8.50980615    -16.01202801
  H     16.79756368      8.37614302    -15.23804956
  H     12.91737262      8.75948233    -14.69724389
  O     14.68315331     11.77884989    -15.32515029
  H     15.35524727      8.70286291    -15.66170963
  H     17.72470297      9.39640181    -18.63274998
  O     20.24167604     10.68259237    -10.54551309
  H     14.17023944     10.97524255    -15.18365268
  H     17.02874635      9.42325184    -17.25264847
  O     20.25004587     12.73381225    -12.38508536
  H     15.52878676     11.61974260    -14.87995035
  H     16.32486210     12.08000495    -10.95442060
  O     14.58384467      9.38317323    -12.09975035
  H     20.28028025     11.47670248    -11.10302927
  H     15.20147861     12.06002897     -9.89395144
  O     17.69625454      9.55190763     -9.89396548
  H     20.94337735     10.76861513     -9.90394244
  H     17.72097762     16.35562564    -12.85414804
  O     17.69164843      8.49674154    -13.63176841
  H     20.55580907     12.17915280    -13.11402598
  H     18.07274507     17.83664544    -12.65179607
  O     15.74728345     12.21914682    -17.87773776
  H     20.32692701     13.64692422    -12.70363598
  H     20.36516207     11.31370760    -15.19547033
  O     18.51814449     14.37581440    -15.76964062
  H     15.13965081      8.65685547    -11.79033245
  H     21.90369633     11.43632064    -15.08031976
  O     20.25292211     15.14970336    -13.61649546
  H     14.87232733     10.15847827    -11.60492854
  H     17.01213714      8.18483926    -10.70626401
  O     18.85871737     11.59071902    -16.05847955
  H     17.03479999     10.25116208     -9.97468380
  H     16.59589339      6.69420374    -10.78281718
  O     13.75598168      9.21279392    -14.68621641
  H     18.55212827      9.95590491    -10.07891189
  H     16.16897399     13.89143785    -17.74370091
  O     17.50223474      9.97095292    -17.90556534
  H     18.63271910      8.60804919    -13.43071974
  H     16.19950226     15.32376798    -18.32850986
  O     15.70989200     11.49929479    -10.47490389
  H     17.28913194      8.06790088    -12.86761324
  H     17.44050437     14.76033182    -14.31816014
  O     18.40959233     16.95343423    -12.52178903
  H     15.28126553     12.03022891    -17.05073508
  H     15.92728761     14.91979901    -14.05291480
  O     21.11981502     11.19232514    -14.59463091
  H     16.33111332     11.46681835    -18.02388726
  H     20.31609767      9.47462062    -12.06778032
  O     16.55151826      7.52176470    -11.25283234
  H     18.69283329     13.44003004    -15.93441749
  H     20.67453112      9.67994544    -13.55045811
  O     16.37423467     14.82193692    -17.53710524
  H     17.85852835     14.64242617    -16.42417752
  H     17.20948291     10.25844747    -13.80497018
  O     16.79504495     14.97486672    -13.62927721
  H     19.80457597     14.97909793    -14.45446880
  H     17.21671983     11.73397608    -13.26481140
  O     20.28241013      9.04977242    -12.93280453
  H     19.75913578     15.86524179    -13.19219703
  H     14.48112378     13.63910038    -15.21985678
  O     17.07453003     11.18546292    -14.04467697
  H     18.52235421     11.07038843    -16.79735477
  H     15.08713064     14.79029386    -16.04211797
  O     14.61290832     14.59762423    -15.22404347
  H     18.22201914     11.46758059    -15.33563398
  H     17.19233281     13.71331633    -12.44410130
  O     17.49135838     12.94696011    -11.93186357
  H     14.02629747      9.27604189    -13.75251627
  H     18.45321282     12.90765905    -12.00679364
          69
 Energy    -248.40910875212231     
  O     13.01887195     10.70551726    -14.89357892
  H     13.80959709     10.15787687    -14.76070078
  H     19.76390099      8.32040415    -14.26976566
  O     16.15697232      6.89838410    -13.33047525
  H     13.29136966     11.61003189    -14.69621686
  H     16.60558308     11.74296444    -16.05964161
  O     17.28411681     10.53724674    -10.90268902
  H     16.84296021      7.15740960    -12.69982689
  H     15.30726821     11.54273801    -16.86979650
  O     17.79448512     10.60223912    -15.21879981
  H     15.35200138      6.73494186    -12.82239072
  H     15.64439413      8.55120391    -13.96712406
  O     14.13262901      7.36016575    -16.83693747
  H     16.46531655     10.86374112    -11.30328719
  H     16.21597815      9.82823672    -14.64959652
  O     13.87051349      8.65204388     -8.74336306
  H     17.08448981     10.32831246     -9.98126039
  H     10.28009787      9.63914099    -13.61841225
  O     13.80715846      6.76904828    -11.89845818
  H     18.27398629      9.85474766    -15.60020649
  H     11.75398223      9.91659271    -14.01072460
  O     14.98948944     11.26685714    -12.23738185
  H     18.27530705     10.87720663    -14.42844488
  H     17.50416804      7.14168573     -9.91741181
  O     14.41406919      6.03722929     -9.25234100
  H     13.70845688      6.77161806    -17.45769365
  H     16.28083429      6.55467802     -9.16214790
  O     19.07386790      8.26832790    -16.05993172
  H     13.63362173      7.28034761    -16.00621484
  H     12.05095452      7.81359850    -14.22240732
  O     16.80992559      6.81718834    -16.00603642
  H     14.70423993      9.11246019     -8.59174751
  H     13.05400518      6.80786952    -13.66253396
  O     20.00334804      8.47289073    -13.34701341
  H     13.49770480      9.01331658     -9.55925032
  H     19.69569644     11.94375168    -12.55277458
  O     15.80566155     12.19551110    -16.35749098
  H     13.58309544      7.69051588    -11.70627749
  H     18.55216887     11.01843970    -12.08185503
  O     15.43849311      9.46213597    -14.20760156
  H     13.97864332      6.35201806    -11.04537900
  H     17.73439437      8.75993451    -11.35368766
  O     11.17868642      9.37503262    -13.44037278
  H     15.17981081     10.57338523    -12.89232616
  H     18.80035576      7.93680634    -12.12359184
  O     17.10468250      7.04142133     -9.04169337
  H     14.78077887     12.05224824    -12.75562331
  H     16.89376570      9.81827300     -7.48423233
  O     12.69121698      7.14517774    -14.49097246
  H     14.16318763      6.94138506     -8.98733002
  H     16.81192029      8.67308603     -8.52305825
  O     19.16827223     11.19220850    -12.81235322
  H     14.00936488      5.44292509     -8.62602936
  H     14.25498800      9.23450664    -17.34328618
  O     18.02377759      7.85961166    -11.55016457
  H     18.27698330      7.70768339    -16.08849478
  H     13.52827509     10.43259475    -16.74553334
  O     16.57707111      9.60522064     -8.35815772
  H     19.60419879      8.03111950    -16.81557969
  H     12.31156976      9.45391210    -11.93626098
  O     14.15270133     10.18895387    -17.44051057
  H     16.63353640      6.66876030    -15.06540076
  H     13.65877887     10.14455367    -11.58324824
  O     13.05343652      9.43919667    -11.31866273
  H     15.95089917      7.01464054    -16.39682086
  H     14.14589583     14.05370982    -14.40755728
  O     14.34177068     13.12875899    -14.28882663
  H     19.89867472      9.42090959    -13.19977171
  H     14.90847762     12.86439681    -15.03814910
          69
 Energy    -248.40904287981778     
  O     10.95392454     13.53389115    -10.62891215
  H     10.48760657     12.69989928    -10.49238691
  H     14.00677437     12.58195966    -12.24806977
  O     14.58989220      9.34674408    -17.43662631
  H     10.99772985     13.66698737    -11.58288352
  H     15.55567194      9.07832153    -13.20971636
  O     11.33687305     10.56875921    -12.63803132
  H     14.43751879      9.04950683    -18.32887315
  H     16.67186851      9.92582475    -12.54510624
  O     14.43313846      9.33488958    -14.73049235
  H     14.50914258     10.31617013    -17.45349164
  H     14.90449317     14.22934146    -11.33558027
  O     13.64979477     11.34811950     -8.72605528
  H     10.68538918     10.62549832    -11.92757892
  H     14.54153043     14.36350497     -9.85200953
  O     14.35309631     12.06869997    -17.09444716
  H     12.21427828     10.68274851    -12.23609728
  H     13.28404415      8.33010147    -13.54437487
  O     13.03028724      7.33680739    -10.24677781
  H     14.73297050     10.24962836    -14.61571704
  H     12.01642359      8.74389490    -12.79732725
  O     13.80776146     10.96110624    -11.49039939
  H     14.57289209      9.12628184    -15.66652546
  H     18.67738663     11.46221905    -13.03035944
  O     11.60667614      9.49805203     -9.03763881
  H     14.56142093     11.18201548     -8.45389137
  H     17.55375618     11.76684330    -12.00745874
  O     17.11914436     12.30201475    -10.45456709
  H     13.46955652     12.29424457     -8.65328255
  H     11.26680658     12.38912549    -13.24756009
  O      9.77221764     10.92512940    -10.37854105
  H     14.87249173     12.13347779    -16.28026717
  H     11.38486600     13.36080580    -14.43847460
  O     14.03546310     13.40049246    -12.76921179
  H     13.50924141     12.48932562    -16.89838260
  H     16.83106797     10.33991727     -7.56013098
  O     15.97669466      9.27817884    -12.36545472
  H     12.82281307      6.41121292    -10.14248048
  H     16.09679536      9.74124218     -8.78598883
  O     15.28963196     14.36978022    -10.45966201
  H     12.94385758      7.53369898    -11.19540824
  H     15.01191626     12.54747133    -14.00528365
  O     12.66382990      8.03254770    -12.86770084
  H     14.54090692     10.37389069    -11.70651234
  H     16.36558659     11.80627439    -14.09864031
  O     17.73867273     11.38482456    -12.88648519
  H     13.77847359     11.06555774    -10.53043423
  H     11.03642170     13.06129387    -16.96135787
  O     11.32411103     13.32698122    -13.47517327
  H     12.30888402     10.11724693     -8.79171948
  H     11.63614246     11.96473324    -16.04851819
  O     16.29284568     10.57079278     -8.31218322
  H     12.04852454      8.72084889     -9.39916052
  H     15.87504965      8.58667181    -10.68269984
  O     15.52064719     11.92784636    -14.54782254
  H     16.53736065     13.07503132    -10.40342855
  H     14.76006760      7.99325618     -9.80790603
  O     11.67643470     12.91361224    -16.26900352
  H     16.90759409     11.74381295     -9.69937580
  H     12.62312917     14.68940876     -8.21294025
  O     15.63494336      8.39624001     -9.76463086
  H     10.38395182     10.39015850     -9.83901229
  H     12.22165267     13.91797512     -9.49148343
  O     12.93725294     14.04683653     -8.84357139
  H      8.88902242     10.72010481    -10.08512600
  H     11.43451555     10.34898749    -14.48270529
  O     11.70067508     10.34082092    -15.41162267
  H     13.12844824     13.56629191    -13.05126856
  H     12.58010615      9.94975605    -15.41588753
          69
 Energy    -248.40901992675668     
  O     17.42820183      9.54032678    -14.86716817
  H     17.53895398     10.50070107    -14.93407132
  H     14.43467853     11.93534866    -12.96810004
  O     15.45812619      7.41154692     -9.57798368
  H     16.79539996      9.26222679    -15.53959761
  H     13.65059654     10.70289045     -9.65022935
  O     17.67281356     12.24317971    -14.79746190
  H     15.43927623      6.55437234     -9.15618260
  H     12.26279956     11.38479232     -9.71696063
  O     12.93089868      8.10069577    -10.80919835
  H     16.28351742      7.44015307    -10.08381589
  H     17.70578916      4.81579687    -12.80013711
  O     15.41407095      8.67099173    -16.61448420
  H     16.92236914     12.65272024    -14.35207354
  H     16.35366748      5.36892272    -12.33097240
  O     19.04622285      7.91089720    -13.37546173
  H     18.44050529     12.39700020    -14.23058220
  H     19.15487210      4.74073597    -15.02550374
  O     20.37412604     10.01371953    -12.09129355
  H     13.79071746      7.84532053    -10.45307678
  H     17.87328394      5.60283107    -14.93427073
  O     17.98261333      7.16700172    -10.87892194
  H     12.81618690      9.03567271    -10.60341121
  H     18.40003256     13.09933681    -11.86698592
  O     12.44273747      7.13869735    -13.26967146
  H     15.18576864      8.98687095    -17.48435055
  H     17.43871153     12.36949786    -10.91696963
  O     15.54856623     13.38198310    -13.17274183
  H     14.66298774      8.88665686    -16.03247518
  H     16.06791142      6.95232434    -16.06367059
  O     13.39312807      9.26743105    -14.90982027
  H     19.06134667      7.01967816    -13.74409434
  H     15.90187218      6.30915994    -14.68330071
  O     13.93329762     11.11728702    -12.84811370
  H     18.52712699      8.45791065    -13.98438965
  H     16.54350362      9.42220687    -13.29537957
  O     12.89971327     10.90365429    -10.23807825
  H     20.22250521      9.76627445    -11.17257867
  H     15.25497321      9.89287636    -12.57732172
  O     17.12198200      4.85906126    -12.03268833
  H     20.04530110      9.26982605    -12.61456668
  H     20.04072372     11.63261416    -12.65782727
  O     18.66999392      5.32270160    -14.44700555
  H     17.76153889      6.25070892    -11.09903887
  H     20.67115878     12.96071698    -13.12898105
  O     17.56585734     13.20314755    -11.39207170
  H     18.26944337      7.55598298    -11.71788034
  H     16.88236128     10.15804790    -11.07581067
  O     16.35369405      6.20110533    -15.53277548
  H     11.67517339      6.57396533    -13.28088955
  H     18.01711932     10.19636620    -10.00677267
  O     16.03234259      9.32647314    -12.47931155
  H     12.52536253      7.48928100    -12.36348670
  H     14.24611520      6.70104393    -13.14203154
  O     19.83487584     12.53327958    -12.96439536
  H     15.30197411     14.29388951    -13.30386997
  H     15.49043796      7.55116934    -12.78128141
  O     17.23664356     10.66243530    -10.32836379
  H     16.23667445     13.37369232    -12.48245130
  H     19.81230788      8.79030853     -8.71889407
  O     15.20305014      6.66135375    -13.02795066
  H     13.49988255      9.98395870    -14.27059813
  H     18.96702016      8.28024669     -9.91144850
  O     19.42770418      9.05714751     -9.54942262
  H     12.98585570      8.53873566    -14.42586583
  H     15.81423803     10.47420598     -9.19690486
  O     15.02319772     10.12290828     -8.76350610
  H     13.51784505     11.14591932    -11.97675217
  H     15.11343604      9.16576032     -8.84599057
          69
 Energy    -248.40897668612126     
  O     16.32048484     13.64551701    -18.15462741
  H     15.67715125     13.39834016    -18.81570326
  H     14.47895365     14.94368002    -12.94107774
  O     21.02163941     16.83417273    -14.22135951
  H     15.82698597     13.80002745    -17.33335629
  H     21.07960322     13.68468518    -14.76289741
  O     17.36127515     10.89613812    -14.64340642
  H     20.06857423     16.96684717    -14.33527615
  H     21.18270756     15.01826813    -14.00757800
  O     16.88235196     16.71943267    -12.41910874
  H     21.25516386     17.22219593    -13.36934844
  H     17.28001474     15.07603475    -11.68012176
  O     18.41629625     18.16556633    -17.28989695
  H     17.65948404     11.02934744    -15.55455749
  H     18.03446826     14.33665735    -10.54217396
  O     14.82093769     13.49112549    -12.07131247
  H     17.96483701     11.39471396    -14.07732584
  H     14.88346910     14.70040383    -15.04507182
  O     18.18701469     11.58643958    -17.21408593
  H     17.40279725     16.94773458    -13.20421005
  H     15.00884111     13.16310810    -15.21437403
  O     18.93289884     17.41701892    -10.56357747
  H     15.99606782     16.51996718    -12.74185467
  H     21.28198158     17.18830981    -16.04562195
  O     18.84025435     12.75025611    -13.15200395
  H     18.05052206     18.88351580    -17.79866693
  H     20.31159919     17.76962621    -17.09598322
  O     18.13202444     15.82097697    -18.59766883
  H     18.24288739     17.34650910    -17.78969635
  H     21.54830772     14.43396121    -12.02929678
  O     20.21581444     13.42011479    -16.44741072
  H     14.85263575     12.75296235    -12.69269919
  H     21.65904502     15.78264631    -11.28913978
  O     14.41512403     15.73657513    -13.50622379
  H     15.70333398     13.57922638    -11.68616646
  H     21.89987255     18.39139174    -11.16267601
  O     21.21210779     14.05840340    -13.88180616
  H     19.00670863     12.06617664    -17.03562992
  H     20.53078730     17.67202995    -11.23112754
  O     17.42463916     14.20675469    -11.27932329
  H     17.58729789     12.23302668    -17.60230948
  H     20.19971084     14.74080385    -10.02294370
  O     15.18878547     14.01059622    -15.64704421
  H     18.15586953     17.30870152    -11.12610821
  H     19.68746984     14.50363915     -8.58111712
  O     21.16429457     17.32915530    -16.99461194
  H     19.01126455     16.60234756    -10.05112560
  H     15.75039437     11.29949057    -14.35736948
  O     21.52798226     14.83566279    -11.15217364
  H     19.71766803     13.14116449    -13.25657954
  H     14.26192273     10.87685838    -14.28856539
  O     21.43730868     17.67435618    -11.58755553
  H     18.39244933     13.20151982    -12.42296229
  H     18.18956305     13.83416617    -14.44621916
  O     19.42181795     14.81724990     -9.44101456
  H     19.02647830     15.47194413    -18.70001661
  H     17.00555605     14.24664410    -15.35943918
  O     14.84168094     11.63041786    -14.22625910
  H     17.54560316     15.06820700    -18.46185092
  H     21.08827565     15.92620884    -18.01885462
  O     17.92984968     14.43235345    -15.16100538
  H     20.52718774     13.94663967    -17.19425903
  H     21.57356165     15.08708748    -19.22745947
  O     20.90097600     15.13334679    -18.55375553
  H     19.40861064     13.84668850    -16.12208852
  H     18.18445873     16.13886810    -14.92721927
  O     18.31657067     17.08039733    -14.72703137
  H     13.55933545     16.12408245    -13.34110436
  H     18.26222169     17.55955361    -15.56262295
          69
 Ord_Energy   -248.408966    
 O    8.58126545       4.24110031      -3.87795210    
 H    9.29453087       4.29063845      -4.50914621    
 H    7.75475979       4.19415236      -4.39253950    
 O    7.10731077     -0.606849968      -1.41891587    
 H    7.50920677      0.238817498      -1.65594625    
 H    6.78729820     -0.524933219     -0.511443257    
 O    6.99209499       3.29700518       7.68970475E-02
 H    6.40250921       3.92482877     -0.371495724    
 H    6.43259430       2.81374288      0.694855511    
 O    8.26234913       5.71315241      0.629050076    
 H    8.00804710       4.78194714      0.567327321    
 H    8.23179245       6.03826237     -0.280341446    
 O    3.64441562       3.35579014      -2.81349182    
 H    4.23688078       2.67314863      -3.16237402    
 H    3.51795959       4.00793648      -3.51446271    
 O    3.49877095     -0.246125117     -0.613955557    
 H    4.20221949     -0.457430691       1.16752395E-02
 H    3.83094573     -0.532161653      -1.47343707    
 O    5.51045465       1.57911265      -3.76824999    
 H    5.24017811      0.661296427      -3.64799476    
 H    6.29703903       1.71110952      -3.21820641    
 O    3.28067732       6.69757700     -0.450793773    
 H    3.77509880       7.34885550       6.51266426E-02
 H    2.85090685       6.08393097      0.157132834    
 O    4.93509912      -1.04841769      -2.97565627    
 H    5.75034046     -0.984275460      -2.44394565    
 H    4.95277882      -1.89762521      -3.40832376    
 O    4.64755154       4.56425953       2.80480576    
 H    3.82758808       4.73766136       2.32552052    
 H    5.23432446       5.31016636       2.63826776    
 O    5.01067591       2.12038589       1.63642287    
 H    4.33070517       2.21649051      0.954743624    
 H    4.94774771       2.90700889       2.19764376    
 O    7.79732180       2.04106450      -2.22551513    
 H    7.57895517       2.45617604      -1.37740207    
 H    8.21380424       2.72409964      -2.76406717    
 O    3.74153709       5.34472370      -4.78568935    
 H    3.77879119       6.13952303      -4.22327042    
 H    3.17803383       5.56065702      -5.52385044    
 O    6.08071613       8.56901550      -1.99837530    
 H    6.76338720       7.88909721      -2.08128619    
 H    5.84265852       8.59446239      -1.06558096    
 O    2.26263356       4.64830732       1.19042242    
 H    1.39427984       4.54081917       1.57156575    
 H    2.43793941       3.84379697      0.673428357    
 O    5.80311584     -0.438115567       1.12607515    
 H    5.56933165      0.458247125       1.42105341    
 H    5.94588804     -0.956230700       1.91430390    
 O    6.51967335       6.74960184       2.39266515    
 H    6.97958899       6.90604067       3.21377778    
 H    7.17874193       6.39473629       1.76831532    
 O    2.95678711       2.42562008     -0.290047437    
 H    2.98820710       1.46217012     -0.389522284    
 H    3.11812973       2.79170799      -1.17095232    
 O    5.31793356       4.97557640      -1.30718696    
 H    4.82394171       4.38692951      -1.89171052    
 H    4.68207693       5.62982941     -0.993190467    
 O    7.66910982       6.24280024      -2.07464600    
 H    8.10023403       5.65529060      -2.70531940    
 H    6.81103325       5.83459568      -1.87925339    
 O    3.77523303       7.46116686      -3.12517405    
 H    4.58999586       7.93108463      -2.89785743    
 H    3.38181400       7.22835255      -2.27498770    
 O    6.21274185       3.93951941      -5.15411615    
 H    5.43207502       4.50229406      -5.08933163    
 H    5.93160152       3.05911422      -4.87080050    
 O    5.06532431       8.46359158      0.788302600    
 H    4.97464705       9.31263065       1.21494997    
 H    5.59236908       7.90554428       1.38190198    
          69
 Ord_Energy   -248.408951    
 O   -2.07085347       6.01648188       6.29002428    
 H   -1.58788061       5.84216642       7.11066246    
 H   -2.78470540       6.62958384       6.50463820    
 O   -3.10478330       1.39955044       9.28977966    
 H   -3.68394899       2.16698074       9.14070606    
 H   -3.32197762       1.05505228       10.1529016    
 O    2.40458512       2.33361959       6.01983404    
 H    1.47908938       2.13669181       5.81390810    
 H    2.44265294       2.37643051       6.98091030    
 O   -4.54266548      0.248443350       7.00050449    
 H   -3.90508413      0.378685117       6.28289604    
 H   -4.06757021      0.482764304       7.80320692    
 O  -0.694265604       2.55205178       8.37677765    
 H   -1.47230542       2.07741284       8.69143009    
 H  -0.630953193       2.43113065       7.41658449    
 O   -6.57274961       1.69690800       5.75637531    
 H   -6.85061836       2.38437390       6.37045431    
 H   -5.93294191       1.14267850       6.22638321    
 O   -6.19161081       6.03806877       6.01583147    
 H   -6.60776472       5.32708693       6.51725483    
 H   -5.90034342       5.64979076       5.17947292    
 O   -2.61202240       4.43850183       2.47288465    
 H   -1.86023581       4.52630758       3.08171940    
 H   -2.34193444       4.85087013       1.65532088    
 O  -0.600591958       4.79108906       4.32842731    
 H   0.332133323       4.93602514       4.54775238    
 H   -1.11083043       5.32854605       4.95227289    
 O   -4.57193089       3.59885740       8.60363483    
 H   -4.24033833       4.41687012       9.00339127    
 H   -4.26398849       3.58075380       7.68318558    
 O   -2.81239867       1.20777619       5.05646610    
 H   -3.10456872       2.05431461       5.42914629    
 H   -3.04460144       1.22712803       4.11741734    
 O    1.96544969       5.53973627       8.28960514    
 H    2.70002532       6.01761150       8.66801262    
 H    2.09079719       4.60571003       8.52303123    
 O  -0.820584357       5.32956982       8.65662384    
 H  -0.850840747       4.36279821       8.61352348    
 H   0.111492388       5.57207489       8.59894753    
 O   -3.61659956       3.70762086       6.03047085    
 H   -4.23958635       3.95298934       5.33387232    
 H   -3.02264547       4.46240950       6.13433266    
 O  -0.387874126       2.28071761       5.65400219    
 H  -0.465940148       3.11653423       5.17616367    
 H   -1.13579237       1.73178208       5.38015270    
 O   -6.32893372       2.24337029       3.14052963    
 H   -6.43845701       1.98296750       4.07427168    
 H   -7.10887671       1.94840193       2.67931557    
 O    1.99506474       2.80885053       8.89358234    
 H    1.04399037       2.63399959       8.79050636    
 H    2.31370330       2.21004367       9.56429291    
 O   -5.09852505       4.64090681       3.84316325    
 H   -5.59889936       3.87725902       3.52316785    
 H   -4.28326941       4.68356609       3.32708120    
 O   -3.48448563       5.95207787       9.46144295    
 H   -3.76798081       6.57963991       8.78408337    
 H   -2.53197622       5.84036446       9.34390926    
 O   -4.25604439       7.51848936       7.18149519    
 H   -4.98676157       7.01766968       6.77608395    
 H   -4.49145842       8.44056988       7.12619495    
 O    1.91713285       5.01791620       5.38445950    
 H    1.92632937       5.37140179       6.27929068    
 H    2.22731280       4.10486031       5.47653008    
 O   -7.12086010       3.83037686       7.60664606    
 H   -6.27914143       3.72626185       8.08130074    
 H   -7.81119919       3.82474756       8.26533604    
 O   -3.59894562       1.70806658       2.47376895    
 H   -3.23171306       2.59486127       2.37451386    
 H   -4.55043221       1.82193100       2.59704137    
          69
 Energy    -248.40893345011381     
  O     -0.95393433      2.11477506      2.42349775
  H     -1.61621119      2.19764115      1.72657367
  H      0.20490302      8.20554287      2.42338345
  O     -3.18158558      5.44906400      0.16288668
  H     -0.86799517      2.99938142      2.80467750
  H      1.33695429      3.47947635      0.10830668
  O      3.08212330      6.70738520      1.06207185
  H     -3.19530977      5.82318825      1.05195522
  H      1.69119518      2.01975982      0.48488616
  O      1.67975491      7.63209269      3.27112123
  H     -2.38348924      5.81937506     -0.24635337
  H     -1.67905004      4.91337245     -3.25471653
  O     -0.87573992      6.39373454     -0.94505367
  H      3.78227543      6.04849885      0.99521254
  H     -0.60586443      3.95353670     -2.72867745
  O      3.58408830      3.99384602     -1.61638773
  H      2.97772669      7.12596971      0.19362589
  H     -0.32668624      9.88585206     -0.90558797
  O      0.83655591      5.06631263      0.75411334
  H      2.26979102      7.41698199      2.53373146
  H     -0.19176462      8.86869767      0.25471982
  O     -2.57820869      6.49998417      2.72385943
  H      1.72607021      6.87188379      3.86023492
  H     -2.37725965      1.94620157     -2.35576601
  O     -0.72386178      2.46259014     -1.66907035
  H     -0.62873194      7.32515056     -1.00265799
  H     -3.55250645      1.12564869     -2.92645892
  O     -0.48989045      4.77578395      3.15520505
  H     -0.77125076      5.97549836     -1.80804085
  H      3.72705790      3.78397717      2.25031467
  O     -2.71662374      2.72755160      0.28996813
  H      2.92790452      3.38666045     -1.24263799
  H      2.69372119      2.72732900      2.71995105
  O     -0.55614863      8.44280720      1.87123361
  H      3.09407275      4.58301387     -2.19918181
  H     -3.59826575      3.82545074     -2.68882178
  O      1.60730489      2.62302543     -0.26255252
  H      0.24236418      5.55511695      0.16918365
  H     -3.59285835      5.08180067     -1.80303626
  O     -0.71980458      4.78845023     -3.20678900
  H      1.60990503      5.62470178      0.91088598
  H      1.68759440      0.36724754      2.48770237
  O     -0.01872721      9.00892954     -0.69601088
  H     -1.87227395      5.87044728      2.95082364
  H      0.66445610      1.51120286      2.28531922
  O     -3.34578339      1.90641062     -2.41869887
  H     -3.05636065      6.67699779      3.53033431
  H      2.20405227      5.84264727     -4.20799428
  O      3.16968593      3.52127759      2.99193138
  H      0.16178879      2.37344898     -1.29277544
  H      1.00129619      5.37453624     -3.36952759
  O     -3.45387073      4.77990962     -2.70815645
  H     -1.30488340      2.63590424     -0.91379293
  H      2.14223896      4.99167965      5.58610525
  O      1.59870047      1.25960682      2.16507357
  H      0.19015009      4.89150543      3.83030501
  H      2.33800868      4.56872977      4.11211744
  O      1.91550981      5.69174919     -3.30969236
  H     -0.03658536      4.87501020      2.30279692
  H      5.72039816      4.40749840      0.71394777
  O      1.79927754      5.12184655      4.70643631
  H     -2.92567015      3.67422786      0.30222852
  H      4.41489272      4.31026666     -0.10835690
  O      4.77180484      4.47780492      0.78185391
  H     -3.24600928      2.33527516     -0.41194588
  H      2.24131171      7.11814342     -2.04689510
  O      2.46129684      7.77377454     -1.37507825
  H     -1.28282358      7.87402001      2.14171753
  H      1.65683188      8.28064061     -1.20535998
          69
 Energy    -248.40874657342266     
  O     -3.18743697      4.89573599      4.23187030
  H     -2.99775054      4.64683358      3.31099417
  H     -2.36909336      2.85658618     -1.78346132
  O      0.59613903      1.78044003     -0.82262121
  H     -3.07240343      5.84116611      4.28752403
  H     -4.84720579      2.51680968      5.49505032
  O     -1.31375475     -0.20648681      2.73482052
  H     -0.18416035      2.02986180     -1.34835127
  H     -4.71532299      3.91126595      4.86263474
  O     -5.89012862      1.57983934      1.38114504
  H      1.35888945      1.94705629     -1.37056619
  H     -8.16395157      2.52347161      3.91669262
  O     -0.52846312     -0.62595510      0.13145467
  H     -0.64260640      0.28061688      3.22775977
  H     -6.65728527      2.56910557      4.26487621
  O     -4.66069535     -1.57103947      5.48369164
  H     -2.08653802      0.37831734      2.68244973
  H     -3.01959864      3.58573761      0.97606455
  O     -6.77290270     -0.69686836      4.03626863
  H     -6.47106269      1.82600947      2.11197867
  H     -1.61875359      3.73016641      1.67100880
  O     -1.50602390      2.85399181      5.39982811
  H     -5.87513535      0.61231032      1.33559939
  H     -4.73987110      2.43480714      0.17279060
  O     -2.97275665      0.03754696     -1.09839289
  H     -0.03916340      0.14746020     -0.17297551
  H     -3.56869325      1.74486438     -0.52423851
  O     -5.56300361     -1.16295785      1.52213141
  H     -0.75586404     -0.48463037      1.06258495
  H     -2.55816918     -1.54933598      2.98304110
  O     -3.14074912     -3.65453325      0.63707016
  H     -5.47362919     -1.27498889      5.03411328
  H     -3.70910237     -2.02757391      3.90962262
  O     -1.71766496      2.27577807     -2.18938489
  H     -4.92956974     -2.17585506      6.16991022
  H      0.30851887      2.67899261      0.82129614
  O     -5.36349750      3.27191292      5.18064092
  H     -6.54374666     -0.94112715      3.12963126
  H      0.28137332      2.61274770      2.37338580
  O     -7.32851690      2.10063680      3.73716996
  H     -7.02936998      0.23268432      4.00785765
  H     -0.22700727      2.08155428      4.52617729
  O     -2.56647553      3.91740524      1.76351923
  H     -2.18183050      2.20203871      5.63311529
  H      1.21813181      1.53146249      4.52039127
  O     -3.91469303      2.61963714     -0.29580928
  H     -1.98817375      3.62654218      5.08362910
  H     -3.93436539      0.16712461      5.65845539
  O     -3.35045301     -2.10242832      3.01698852
  H     -2.17495474     -0.28694970     -0.65984158
  H     -3.60680113      1.20323543      4.55809297
  O      0.03163623      3.15305236      1.61420189
  H     -3.59438156     -0.69768951     -1.13434233
  H     -5.13323305     -2.71377437     -1.64148529
  O      0.42917067      1.59994753      3.98975545
  H     -5.45280685     -1.52366660      0.63426279
  H     -4.15876629     -2.79006982     -0.43832044
  O     -3.65492986      1.07809060      5.52002089
  H     -4.78187722     -1.44192328      2.02101422
  H     -0.41583896     -2.41385850     -0.09790852
  O     -4.73075672     -2.19057767     -0.95428358
  H     -3.17363169     -3.28561898      1.52830509
  H      0.39728458     -3.71918978     -0.08539439
  O     -0.49242334     -3.38034243     -0.14020829
  H     -2.20907531     -3.67022770      0.37514654
  H     -3.06120985      2.32738602      2.52856806
  O     -3.45391340      1.48405512      2.78935946
  H     -2.11183475      1.39517844     -2.09927499
  H     -4.29717694      1.43394854      2.32473242
          69
 Energy    -248.40856613549388     
  O     10.91187272     10.13715885    -11.81557262
  H     11.79319058     10.45347824    -12.05659341
  H     17.44668955      7.80949059    -16.07849267
  O     13.55931268      6.78508287    -15.15693703
  H     11.03158030      9.47215434    -11.12605010
  H     16.19626964     11.15739805    -14.28030117
  O     17.43418723      9.65350874    -10.70804147
  H     13.94950684      6.67415987    -16.03263248
  H     15.90886902     12.65975249    -14.38090717
  O     12.54237418      9.34857861    -15.02917192
  H     13.12503470      7.65098235    -15.14277562
  H     14.92216525      7.33415604    -14.13673221
  O     15.86715384      5.21519257     -9.69155716
  H     17.43862108     10.48469152    -10.24005140
  H     16.31210576      6.88158228    -13.62255325
  O     12.90570839      5.40758597    -12.83710332
  H     16.50154804      9.42204135    -10.85648795
  H     10.79022286      7.79290712     -9.14512518
  O     14.92461813      8.76291201    -11.28591826
  H     11.60355277      9.21377126    -14.84800179
  H     11.99762036      7.43060574    -10.03678206
  O     14.71813945      9.61029143    -16.87987094
  H     12.90234622      9.81295259    -14.26011958
  H     19.37799274      7.48419639    -12.80967045
  O     15.52936928      4.28783666    -12.40505631
  H     16.61684619      5.81380625     -9.85829049
  H     20.50861505      6.44056827    -12.63669494
  O     16.80693686      9.58453915    -15.10886360
  H     16.12964851      4.63874328     -8.97868545
  H     10.21030407      7.22784717    -13.08017765
  O     14.92567724      6.82659121    -17.60696023
  H     11.97124360      5.63116771    -12.71245295
  H     10.50193117      6.97327664    -11.59502612
  O     17.36560912      6.91231449    -16.41581123
  H     13.14230821      5.79054922    -13.69306709
  H     18.29741110      9.40289406    -13.88463366
  O     15.75700168     11.89371776    -13.83111341
  H     15.22695471      8.34532281    -12.11042794
  H     18.37726180      9.40870855    -12.34044124
  O     15.67363559      7.60554205    -13.59248298
  H     14.40894874      8.08815462    -10.83026429
  H     16.82210496      4.93585664    -13.46342111
  O     11.16004580      7.92229300    -10.01521758
  H     14.72740620      8.73600425    -17.28874580
  H     18.19837434      5.69897043    -13.46304842
  O     19.56877273      6.56770211    -12.53877449
  H     13.90866688      9.64439619    -16.35341074
  H     17.82446039      7.82810114    -10.25739655
  O     10.41289254      6.52913873    -12.44664322
  H     14.60766685      4.50467697    -12.59323957
  H     18.55486694      6.66476479    -10.94672147
  O     18.83517557      9.11387296    -13.13900991
  H     15.66396543      4.50106737    -11.47422444
  H     13.32613564      6.15964301    -11.24221376
  O     17.41623229      5.49315264    -13.99000472
  H     16.42140869      8.91537927    -14.52014404
  H     14.26861093      6.07285022    -10.01048175
  O     17.94189749      6.87129833    -10.23043035
  H     16.16085250      9.70161370    -15.82327709
  H     14.22597153     11.21725353    -13.09715720
  O     13.51265011      6.55062277    -10.37431315
  H     15.83117394      6.78906453    -17.25030124
  H     13.96537696     10.01517674    -12.16334001
  O     13.52629006     10.64947288    -12.74725407
  H     14.93214444      6.34487580    -18.42931969
  H     10.20918222      9.40699432    -13.23247838
  O      9.94930130      8.91354393    -14.03246638
  H     17.43787632      6.32652361    -15.64812668
  H      9.08365020      9.22678921    -14.28094789
          69
 Energy    -248.40840647737750     
  O      1.52529359      0.01871677      5.24710445
  H      1.02058999      0.84543878      5.13660356
  H     -2.29522176      4.30171440      0.12401926
  O      1.67986468     -0.95377159     -2.98348131
  H      2.23893291      0.21239020      5.84903892
  H     -2.90700763      1.06792608      5.47841075
  O     -0.84796925     -1.46611611      5.80439204
  H      2.35137168     -0.99642032     -2.28219688
  H     -2.26958125     -0.36443681      5.59639356
  O     -0.30209502     -0.49979422     -1.13812960
  H      2.13302797     -0.65584436     -3.76752837
  H      0.40739740      1.81427472      1.59511789
  O      2.25322608     -3.20948294      0.86919602
  H     -0.92264674     -1.99617358      5.00346418
  H     -0.81947519      2.80023603      1.56909147
  O     -3.83491875      2.94228648      2.96541756
  H     -0.00745887     -0.99640142      5.72860789
  H     -3.03172028      0.80513568     -0.56739502
  O     -3.72576856     -3.54893714      2.97752337
  H     -0.47506548     -1.35619799     -0.72703564
  H     -1.61911902      0.78002676     -1.16475841
  O      0.07341739      2.25398602      4.86855221
  H      0.29924252     -0.65042823     -1.88261172
  H     -1.35247001      0.86182642      2.48344533
  O      3.26546393     -1.02890991     -0.72741853
  H      2.10789383     -2.64200623      1.64448621
  H     -2.35484268      0.23142973      3.50158202
  O     -5.79270501      0.90902919      2.36468229
  H      2.74555417     -3.96836997      1.17389448
  H      0.38399356     -3.15530668      0.29711863
  O     -5.07944464     -1.16081398      3.95303468
  H     -4.51635938      2.29761561      2.74005792
  H     -0.80324322     -2.80739501      1.20807428
  O     -2.24813309      3.49110656      0.62335862
  H     -3.35692393      3.14290913      2.15201143
  H      0.58401987     -1.90079589      2.99210732
  O     -3.01329276      0.14042844      5.23622713
  H     -4.11158939     -4.40647917      3.13604005
  H      1.60786369     -0.97609972      3.69279592
  O     -0.23105462      2.29337847      2.14183583
  H     -3.71497768     -3.41637899      2.01180009
  H     -3.08161427      2.98019373      4.53543854
  O     -2.37374409      1.36242237     -1.00507137
  H      0.05257492      2.38069185      3.90806075
  H     -3.03343007      3.59833944      5.95294707
  O     -1.93437261      0.10858250      2.63928607
  H     -0.79690728      2.52579380      5.17918966
  H      1.40461762     -0.16619759      1.53927126
  O     -0.55038113     -2.91497052      0.28193726
  H      2.83416823     -0.33689571     -0.20984703
  H      0.78525290      0.17531812      0.14849956
  O      1.45811736     -1.49846052      2.89395288
  H      3.04087839     -1.85210448     -0.27676072
  H     -1.41865655     -1.51816081      2.87828520
  O     -2.66127857      2.90729529      5.41196609
  H     -6.73891536      1.02462375      2.35311926
  H     -1.99438616     -2.93993055      3.12556448
  O      1.39212826      0.49437215      0.83445244
  H     -5.60868034      0.15637238      2.95645627
  H     -2.53303749     -3.07275571      0.05198760
  O     -1.16914621     -2.44322969      3.05039798
  H     -4.42044760     -0.74630866      4.53010420
  H     -3.65893986     -2.04499650      0.32519055
  O     -3.44560612     -2.98985294      0.34894199
  H     -4.68674716     -1.98334635      3.64238920
  H     -3.16873468     -0.13165592      1.32368864
  O     -3.88045721     -0.25405874      0.67676497
  H     -2.30146841      2.76041873     -0.01990560
  H     -4.66549854      0.12800942      1.08627044
          69
 Energy    -248.40837406834930     
  O     11.46764933      9.41805765    -11.18079138
  H     11.30700460     10.20475299    -11.71763528
  H     11.43061554     10.60312796    -16.31492499
  O     14.72185965     10.20563007    -12.77957695
  H     12.10674148      9.65661509    -10.49957754
  H     15.72976246     14.05719162    -13.67413151
  O     17.36383782     13.61764291    -12.96608743
  H     15.62158924     10.26167626    -12.43466475
  H     15.00306719     13.32165956    -14.81671667
  O     17.10873112      7.55410308    -13.15097415
  H     14.26901268     11.02026754    -12.53197864
  H     14.29319929     11.55209975     -9.42446694
  O     11.23493859     11.38865897    -13.21441870
  H     17.68277058     12.88470067    -13.50423325
  H     14.26309153     12.57062951    -10.57054443
  O     12.56992442     14.62782160    -15.60132994
  H     17.40249028     13.31208659    -12.05181774
  H     16.91748450     11.59868934    -15.09543738
  O     15.34883984     12.06571340    -16.08102196
  H     17.36392255      8.31173838    -12.61087830
  H     17.71827039     10.30061933    -15.00788964
  O     15.63773761      8.51974057     -9.95408451
  H     16.19746218      7.34634716    -12.90219758
  H     17.86888084     12.77753430     -9.61046486
  O     13.47560847     12.61722285    -12.18476502
  H     10.78169760     12.06763231    -13.72997630
  H     16.43770775     12.41741831    -10.08374625
  O     14.68371672      9.46421598    -15.41291366
  H     11.50530606     10.70158443    -13.83990080
  H     11.80003341      8.57582118    -14.41941476
  O     13.42443836      9.89719751     -9.10879142
  H     12.84824519     14.20912431    -16.42535000
  H     12.88827440      9.29690773    -15.25265065
  O     11.29538663     11.40695177    -16.83215407
  H     13.34397491     14.60756851    -15.02343191
  H     17.31618046      8.06823905    -14.79536957
  O     14.87596611     13.98534632    -14.12304927
  H     14.77845552     12.41146337    -16.77922696
  H     17.84871329      7.96236488    -16.24631847
  O     14.75524075     12.32232653     -9.77411022
  H     15.04453931     11.16156289    -15.91803574
  H     13.21629971     13.07178828    -18.74288653
  O     17.60804639     11.15947881    -14.57988569
  H     16.35613462      8.99430077    -10.37880935
  H     12.60850244     12.33682020    -17.52354800
  O     17.37763950     12.41635233    -10.34301516
  H     15.23749440      7.97470173    -10.64808252
  H     11.56542328      8.06249990    -12.25420151
  O     11.95120511      9.32368644    -15.00980045
  H     12.63284240     12.29983755    -12.53472925
  H     10.98580751      6.73640023    -12.80424917
  O     17.35391021      8.52363710    -15.65594153
  H     13.90170726     13.16453517    -12.85905798
  H     17.49625923     10.90509075    -11.33172438
  O     13.32171315     12.93822269    -17.80488304
  H     14.72508620      9.72640768    -14.47791948
  H     17.56184762     10.51933805    -12.83405040
  O     11.68178738      7.37449298    -12.93617377
  H     15.52193949      9.03460697    -15.61849864
  H      9.52994593     13.93511536    -14.99470227
  O     17.39507617     10.16496547    -11.94698766
  H     14.21584699      9.38934730     -9.35696400
  H     11.06940866     13.86762010    -15.14239128
  O     10.27116868     13.33650884    -14.96829490
  H     13.18620058      9.61666667     -8.22804306
  H     14.43312224      8.47119261    -12.40271246
  O     14.43309263      7.51014923    -12.26312996
  H     10.80454844     12.01221478    -16.26212888
  H     13.54505213      7.22418788    -12.50009670
          69
 Energy    -248.40819615590891     
  O     12.48270978     12.36538389    -11.66825760
  H     13.22593513     12.20607494    -11.07832256
  H     16.46343546     12.46681086    -16.52532450
  O     20.39385376      7.64574943    -13.32602826
  H     11.99560935     11.53175156    -11.71273164
  H     13.00880455      8.75345088    -14.37414136
  O     17.87138927     11.29889343    -12.60966257
  H     20.62348478      8.26224957    -14.04262861
  H     11.84831541      9.38944478    -13.56654949
  O     13.32384078      9.19590980    -10.08880699
  H     21.18306025      7.14846897    -13.12716813
  H     15.00108686      9.89771683    -13.46335332
  O     16.34287606      7.06500581    -12.24240992
  H     17.78401537     12.09063280    -12.06840876
  H     14.73264852     11.44063796    -13.54044390
  O     15.23211596      7.13963602     -9.62970770
  H     16.96512951     11.07380190    -12.87985218
  H     11.92782952     11.33347419    -16.79953164
  O     17.96889658      6.71567171    -14.58999173
  H     13.90812150      9.95950111    -10.01368009
  H     12.41891033     10.50823726    -15.58532715
  O     13.66363366     12.85236363    -14.09525092
  H     13.87442748      8.41815789     -9.94094969
  H     17.51457086      9.16590151    -10.06921179
  O     16.88036083      8.92003161    -15.86579110
  H     15.89622696      6.91356048    -11.40173194
  H     16.35414482     10.11464636     -9.68122236
  O     18.46857883      8.80548531    -11.62374368
  H     17.06275013      7.68405079    -12.05072355
  H     21.11621248      9.27560448    -16.28696977
  O     15.40140053     11.14752281    -16.88489114
  H     15.27797174      6.55315765     -8.87933065
  H     20.13738746     10.03194052    -15.37406041
  O     17.14087616     13.12590569    -16.28523965
  H     15.83411376      7.88378336     -9.44384518
  H     16.56022147     13.84810682    -14.58230900
  O     12.17756161      9.24119684    -14.46103329
  H     18.83284482      6.91534473    -14.21051855
  H     15.18721971     13.80567959    -13.90090225
  O     15.25325744     10.75558969    -13.10274203
  H     17.37934260      6.59303842    -13.83533623
  H     16.58181922     13.81235977    -12.12867256
  O     12.63937917     11.25631778    -16.17011488
  H     13.20730400     12.42203798    -14.82760969
  H     17.20453220     14.34099596    -10.81507740
  O     16.82813426      9.32234716     -9.40537350
  H     13.12138471     12.76677712    -13.29612668
  H     15.08055668     11.08879078    -11.36795515
  O     20.85714140      9.38009791    -15.37461060
  H     17.50172693      9.62688876    -15.65041447
  H     15.63819002     12.23441171    -10.51283818
  O     16.10125353     14.10027723    -13.77360077
  H     17.29652567      8.09803979    -15.56474255
  H     18.28004378     11.80875370    -15.66623823
  O     16.86393552     13.55397243    -11.23119738
  H     18.34370981      9.69987328    -11.97361887
  H     18.50960836     11.17863843    -14.27491364
  O     15.08934431     11.44224031    -10.46235311
  H     19.19875338      8.40993976    -12.11455748
  H     10.48261366      9.51089129    -11.42248583
  O     18.68701431     11.05655190    -15.21893875
  H     14.45740817     11.11819113    -16.68996549
  H     12.00957059      9.47402902    -11.17773085
  O     11.32025674      9.76425048    -11.80188110
  H     15.77071467     10.28318153    -16.66617221
  H     15.42725470      8.45061048    -14.85415692
  O     14.75995800      8.26247030    -14.17889136
  H     17.23794443     13.70410192    -17.03727804
  H     15.20539572      7.76038290    -13.48254927
          69
 Energy    -248.40803304728632     
  O      2.06071246     -0.42069132      4.65038747
  H      1.29174169     -0.93786544      4.95002750
  H     -5.34846187     -0.26558873      4.66634426
  O      0.14384286      0.18473478     -3.11394558
  H      2.77354500     -0.62767784      5.24940889
  H     -3.10115545      2.70102157      2.10858194
  O     -0.15263356     -1.82180340      5.44973596
  H     -0.44016050      0.63977853     -2.49320003
  H     -1.65093325      2.70717092      1.56259562
  O     -1.16693836      1.17615561     -0.79233500
  H      0.01867350     -0.75779641     -2.94581150
  H     -2.18548666     -0.04582029      4.80706878
  O     -0.02218414     -2.52535490     -2.14187465
  H     -0.55034083     -2.51900284      4.91589238
  H     -3.35020867     -0.47084591      5.73737426
  O      2.25489053     -1.78337563     -0.82784745
  H     -0.89218484     -1.27688944      5.75044944
  H      0.58434285      2.75842633      1.29089767
  O     -3.94371083      3.22225776      3.66484106
  H     -0.27426450      1.25539373     -0.42235203
  H      0.25121928      2.95885322      2.77996149
  O     -3.83151664     -2.28828221      3.18385237
  H     -1.74030770      1.70330054     -0.22630626
  H     -1.15687360     -0.45918554      2.69714768
  O      0.44088167      1.93797873      4.35377337
  H      0.78641024     -2.33548824     -1.63308144
  H     -1.85603811      0.92575982      2.54927321
  O      2.64850171      0.71608585     -2.17868315
  H      0.13822687     -3.33569422     -2.61811882
  H     -1.50106270     -1.95034313     -1.14185167
  O     -5.50368920      0.86083548      3.35100529
  H      2.55398326     -0.99518973     -1.29864778
  H     -1.75728764     -0.51335002     -0.65265718
  O     -5.12733151     -0.95299185      5.32094034
  H      2.28526843     -1.55472032      0.10934135
  H      2.10945210     -0.63439048      2.75916935
  O     -2.52618731      2.29548101      1.44683579
  H     -4.29440313      4.09158700      3.84083348
  H      1.06063100     -1.22261533      1.79104018
  O     -2.43476336     -0.16855091      5.73802986
  H     -3.27902695      3.04376856      4.35386588
  H     -2.24884986      1.71082823      5.83072454
  O     -0.02033083      3.21779400      1.88931106
  H     -3.86861208     -1.59989167      2.50994250
  H     -1.13733246      2.61236251      5.28515502
  O     -1.46889719      0.31344773      3.18372836
  H     -4.32539436     -1.94967912      3.94095886
  H      1.94341905      1.34245083     -0.54885904
  O     -2.04796289     -1.43203595     -0.53779753
  H     -0.22689028      1.36320039      3.94488692
  H      1.62021509      0.72893246      0.84156366
  O      1.91970798     -0.77206779      1.82424229
  H      1.16111005      1.33837927      4.57264288
  H     -2.41081663     -3.19713021      3.53198031
  O     -2.06754692      2.61616457      5.54230135
  H      1.79256348      0.57735076     -2.62224960
  H     -1.72420272     -4.56797546      3.75630897
  O      1.40615302      1.45963969      0.24353403
  H      3.23909350      1.09163928     -2.82555643
  H     -0.85462387     -2.62018501      2.32761367
  O     -1.55044311     -3.63465075      3.67223177
  H     -5.04100714      1.69914360      3.47696444
  H     -1.11786380     -1.85865294      0.97482156
  O     -0.55620262     -1.89864746      1.75939977
  H     -5.18040662      0.48712617      2.52236128
  H     -3.52571650     -0.73999327      0.47473952
  O     -3.99753789     -0.21139424      1.13203595
  H     -5.91667088     -1.11540859      5.82958784
  H     -3.56462398      0.65115847      1.12801423
          69
 Energy    -248.40796990706505     
  O     17.99362502      5.18626646     -9.73878425
  H     17.15713476      4.72133162     -9.88618108
  H     13.01085410      4.90057409    -13.03107096
  O     17.94567881      9.43965989    -14.78281971
  H     17.78516976      5.88280062     -9.10616796
  H     16.29007714      7.49859275    -11.14779691
  O     13.24902516      7.84450649    -12.24225508
  H     18.64888154      9.92499098    -15.20586429
  H     15.65698077      6.06198213    -11.06877361
  O     10.35461600      5.93065518    -14.20195789
  H     18.33894036      8.99107387    -14.01182207
  H     18.80108935      5.31668376    -11.28909848
  O     15.74777887     10.71006772    -13.45310592
  H     12.74605073      7.02758717    -12.33245679
  H     19.98495648      4.85436492    -12.16557481
  O     17.36703228      8.76863767    -10.36922259
  H     14.14493826      7.56550587    -11.99292157
  H     14.22005460      9.99106431    -10.14589379
  O     18.94927430      8.21257016    -12.59596912
  H     10.88710869      6.41963304    -14.85271166
  H     13.25928079      8.93279862    -10.71505721
  O     16.96098294      7.27884525     -8.04783218
  H      9.45672411      6.22757565    -14.32038433
  H     13.74450206      6.43702956     -8.82113550
  O     12.01067899      7.25332639    -15.93527540
  H     15.00111837     10.27858380    -13.88785122
  H     14.00621866      7.95574109     -8.88193665
  O     14.29949979      5.72651746    -16.74737742
  H     16.53564998     10.37273492    -13.89496084
  H     14.61926400      8.44679359    -14.96993730
  O     16.12928342      7.45776679    -15.59603225
  H     17.29827755      8.38649097     -9.48479044
  H     13.59971481      8.61553328    -13.80757451
  O     12.30082167      5.19772245    -12.44799872
  H     16.83204654      9.57316440    -10.39936400
  H     15.79505647     11.92185619    -10.55662184
  O     15.70970884      6.87068736    -11.59557217
  H     18.49524215      8.47707425    -11.78357583
  H     15.71540104     10.92923652    -11.73988084
  O     19.19016819      5.38063320    -12.17979145
  H     19.12802372      7.27024201    -12.50164917
  H     12.57758364      5.05357733    -10.68762538
  O     13.53267937      9.36380929     -9.89376203
  H     17.11934235      7.39872977     -7.11565739
  H     12.07971536      4.55684992     -9.31385883
  O     14.29971440      7.13385931     -8.45882782
  H     15.99606595      7.18864178     -8.15760758
  H     17.68691684      5.35403669    -13.34828341
  O     13.87300851      8.97942143    -14.66506117
  H     12.67951015      6.68107566    -16.32871031
  H     16.41161324      6.12957117    -12.99196966
  O     15.72923282     10.99442963    -10.76759959
  H     12.50534234      7.99405975    -15.56160275
  H     15.37091551      3.59946971    -11.04832767
  O     12.81390196      4.98516127     -9.74701176
  H     14.96719752      6.37380632    -16.46490627
  H     14.56940537      4.44998332    -10.03308775
  O     16.81946234      5.59210134    -13.69180426
  H     14.54139655      5.45366125    -17.62915732
  H     14.72963686      2.95972419    -13.11181122
  O     15.45219003      4.31050392    -10.39702100
  H     16.42894352      6.77635935    -14.97536853
  H     14.69614920      1.53124113    -12.54572524
  O     15.01720373      2.41132616    -12.36585432
  H     16.75197297      8.18788058    -15.49143811
  H     15.27552019      4.72131722    -14.01227045
  O     14.39218179      4.38022343    -14.22218402
  H     11.52917907      5.37172644    -13.00863164
  H     14.20475932      4.68850295    -15.11535762
          69
 Energy    -248.40796772437250     
  O     15.37897155      6.62653538    -12.31628870
  H     15.50243521      5.80937172    -12.81302049
  H     18.72856857      8.44730028    -12.51242224
  O     17.53854491     11.30661793    -11.81778523
  H     15.48799824      7.34825341    -12.95443143
  H     18.08289417     10.16730312    -16.75913529
  O     19.62142845     10.24820500    -15.64805290
  H     17.04030132     11.35097283    -10.98614008
  H     16.68707140     10.81662157    -16.71846755
  O     13.19467665      5.57769250    -15.27629277
  H     18.04303302     10.48484027    -11.77610704
  H     15.12716641      8.40385769    -14.90068966
  O     13.11677187     10.84901463     -9.54253519
  H     20.49270313     10.49188898    -15.94776172
  H     15.52062931      9.50271808    -13.86840080
  O     12.91042254      7.19112998    -11.27959525
  H     19.27196636     11.00622408    -15.14450389
  H     12.59798483      8.87621380    -15.23121342
  O     15.13551268     11.15206037    -13.25168952
  H     12.53741113      5.76964920    -14.59560856
  H     11.58188901      8.26538603    -14.25550419
  O     17.30308535      5.98972206    -15.76315533
  H     13.93993651      5.14279880    -14.84532145
  H     16.04160327      7.52399992    -10.84713387
  O     13.82439013      8.11407585     -8.86740769
  H     12.40407359     11.42224012     -9.27208280
  H     17.31055166      8.29933373    -10.50559775
  O     18.43017538      8.12950345    -14.24827625
  H     12.95014424     10.61472552    -10.47045718
  H     11.78102698      6.73624174    -12.56198306
  O     15.64215406      4.54957086    -14.16592854
  H     13.08503831      7.39458854    -10.35015121
  H     10.44190353      6.18759884    -13.10417600
  O     18.82127978      8.76581776    -11.59929270
  H     13.75088014      6.89555059    -11.66085218
  H     18.17041795     12.06480170    -13.39868249
  O     17.20595247     10.13301133    -17.15936994
  H     14.38413886     10.80316395    -12.75474952
  H     17.60029095     12.41050289    -14.79380604
  O     15.72993713      8.61265293    -14.17426641
  H     15.90020692     11.22124115    -12.66317172
  H     15.01146262     11.02111018     -9.55559685
  O     11.95008379      9.10696893    -14.55276963
  H     16.95522535      6.49582459    -16.50784414
  H     16.07397180      9.93051979     -9.79021487
  O     16.41951597      8.11751666    -10.18312853
  H     17.85215140      6.60333452    -15.25931946
  H     16.61240578      8.57874336    -17.62791812
  O     11.28566660      6.54028458    -13.37533321
  H     14.76248332      8.07414241     -9.09289636
  H     16.34725000      7.57407070    -18.77481476
  O     18.42254738     12.26009980    -14.31160432
  H     13.58229961      9.04782673     -8.89622805
  H     12.51961561      9.79791941    -13.00088164
  O     15.95741926     10.88438343     -9.67804622
  H     18.89754286      8.80108152    -14.76177636
  H     12.98352008      8.98791275    -11.78364399
  O     16.26235909      7.69273673    -17.83250681
  H     17.48254663      8.33830883    -14.29248521
  H     15.28353556     12.85570245    -15.98930590
  O     12.92229334      9.89044110    -12.12402116
  H     15.91400918      3.63582927    -14.16598378
  H     15.50913063     11.85548307    -14.83451893
  O     15.88691176     12.19186679    -15.66461222
  H     16.24528366      5.02127188    -14.76858008
  H     14.64555046      7.90686159    -16.90633906
  O     13.97701034      8.01106412    -16.21963355
  H     19.72520385      8.60243246    -11.34091839
  H     13.67889763      7.11929897    -15.97498111
          69
 Ord_Energy   -248.407852    
 O    4.42255449       2.78846288       2.50708747    
 H    3.50755882       3.07124448       2.68004084    
 H    4.78250599       3.38829541       1.85939360    
 O    1.23749554       5.09921598       5.28035545    
 H    1.89944458       4.79727888       5.91617918    
 H    1.48586261       4.69693089       4.43780470    
 O    4.59435463     -0.508330941       5.22228289    
 H    3.73670125     -0.592179894       5.66967106    
 H    4.41627741     -0.485282332       4.27153349    
 O    6.58788681       2.15593076       7.43294477    
 H    6.12653589       2.32766533       6.59985685    
 H    6.52460623       1.20160091       7.56560564    
 O    4.80575514       3.24906611       9.15420151    
 H    5.53948307       2.92788887       8.59939957    
 H    5.19431210       3.70387030       9.89615822    
 O  -0.621616006      -1.91736746       3.60722828    
 H  -0.672465980      -2.68439937       3.04241037    
 H   -2.44090408E-02  -1.28788412       3.17026305    
 O    5.84209442     -0.596895218       7.65494633    
 H    6.29377651      -1.41999531       7.82301140    
 H    5.49635363     -0.650487065       6.74706411    
 O    3.17505956       3.85106635       6.92290258    
 H    3.70496726       3.86249137       7.72981930    
 H    3.67404127       3.31413317       6.29101467    
 O   -8.56525004E-02  -1.73886776       6.42892361    
 H  -0.875388563      -1.28596222       6.74994516    
 H  -0.244914293      -1.90393555       5.49124241    
 O   -2.51435256      0.159607887       4.26888227    
 H   -2.61162305       2.78360005E-02   5.21973658    
 H   -1.96923852     -0.576120436       3.96727729    
 O   -1.39713597       4.50583744       5.50454044    
 H   -1.90449035       5.29825878       5.65792894    
 H  -0.463804215       4.77787638       5.44395590    
 O    2.28229904     -0.416665137       6.61532640    
 H    2.53681755      -9.02425274E-02   7.48565865    
 H    1.47275054     -0.946057260       6.67692757    
 O    4.81739283       2.30787802       5.24624586    
 H    4.71384859       1.34679878       5.26265001    
 H    4.82020473       2.56097770       4.31576538    
 O    1.07623601       1.46931899       5.00859404    
 H    1.58726895      0.876860619       5.57637167    
 H   0.281439394       1.69130707       5.50673819    
 O   -2.35419703     -0.155100957       7.09534597    
 H   -2.96722126     -0.119495213       7.82423878    
 H   -1.88096344      0.696861386       7.08204365    
 O    1.84126902       3.37217283       3.14524746    
 H    1.21408260       3.17315888       2.43860745    
 H    1.63728249       2.75684190       3.86802554    
 O   -7.76126310E-02   2.40496278       1.33960629    
 H  -0.466895789       2.63542509      0.501517653    
 H  -0.773908973       2.51736426       2.01592612    
 O   -1.85941172       2.67178559       3.30389357    
 H   -1.78193271       3.29308915       4.03463793    
 H   -2.15008640       1.82110178       3.66669846    
 O    3.82654881      -4.46909107E-02   2.62701797    
 H    4.08195877      0.868086994       2.44803452    
 H    2.86703348      -7.75751472E-02   2.52558374    
 O  -0.957861841       2.14145184       6.89874220    
 H  -0.217650324       2.25949168       7.51538086    
 H   -1.19181550       3.00149441       6.52959156    
 O   0.958363950       9.58821326E-02   2.61752677    
 H   0.968370140      0.523110688       3.48914123    
 H   0.606299400      0.758633256       2.01126242    
 O    1.26892161       2.41077209       8.41536522    
 H    1.84025502       1.73565423       8.79257679    
 H    1.84854722       2.93529582       7.84451151    
 O    3.56036711      0.670662761       8.90319729    
 H    3.92228007       1.55062127       9.07361698    
 H    4.31683350      0.147030398       8.60874367    
          69
 Energy    -248.40759178976225     
  O      6.28063226     -4.37561443     -0.48794125
  H      5.41914792     -4.09382260     -0.82151076
  H      3.23368133     -2.12200714      3.58104404
  O      3.14612676     -4.93697537      2.39836788
  H      6.11038471     -4.81609416      0.35487602
  H      5.05183443     -0.80532917      0.19669665
  O      3.73882822     -3.32456951     -1.12952066
  H      2.59048124     -4.92641070      1.61081000
  H      4.41835055     -1.34090540      1.50691666
  O      8.11288905     -2.48725798      0.12051973
  H      2.85254703     -4.19623582      2.94509548
  H      4.00618016      1.44041264      3.74363334
  O      5.28674830      2.05022831      0.66622441
  H      2.96592377     -3.80720834     -0.81611052
  H      5.41952486      1.97137753      4.08317439
  O      3.85957457     -1.41605198     -3.18780031
  H      3.90571780     -2.61728085     -0.48614195
  H      5.99194759     -6.23692256      2.49955536
  O      4.19565801      2.04164149     -1.89126309
  H      7.48107805     -3.17046981     -0.17048958
  H      4.84198111     -5.23766827      2.24375925
  O      4.80378278     -1.37794130      3.27169145
  H      8.98119029     -2.78950345     -0.13133648
  H      1.30890962     -2.34230328      2.17654646
  O      1.82705245     -0.02286650      0.15511626
  H      5.12002753      1.88474674      1.60004711
  H      1.05695853     -1.48923369      0.89781089
  O      1.97905590      0.66512248     -2.51435404
  H      5.91877365      1.37026317      0.39301449
  H      1.74608083      1.57037837      3.39847864
  O      0.64227642      1.72574130      1.89128899
  H      3.78664129     -2.15566328     -2.56965916
  H      1.88673411      0.65344996      4.62805647
  O      2.36004009     -2.53820418      3.64585732
  H      3.11837692     -0.82661830     -3.00495949
  H     -0.48627220     -1.15887638      2.45102869
  O      4.25833194     -1.21753300      0.56288274
  H      4.49127485      2.15537786     -0.97581078
  H     -0.46685177      0.36323794      2.66409017
  O      4.94240728      1.41154197      3.47579939
  H      4.90375946      1.57134349     -2.34664184
  H      0.74012008     -5.05273688     -0.20951879
  O      5.79785668     -5.38122377      2.12645839
  H      5.64284976     -1.85639132      3.18961279
  H      1.09902725     -3.73366496      0.51440413
  O      0.72948753     -2.24590923      1.40481101
  H      4.98217629     -0.43798070      3.39850065
  H      0.14222529     -0.69401888      4.53661987
  O      2.32479483      1.36177616      4.14288329
  H      1.76375961      0.18363061     -0.78578749
  H      0.31672156     -0.88229777      6.06325134
  O     -0.78087215     -0.46339431      3.05311638
  H      2.72807384     -0.34001092      0.31734541
  H      5.30335512     -0.45184699     -3.17437394
  O      1.47502089     -4.52640759      0.09441316
  H      1.46637005      1.12410493     -3.17350272
  H      6.50784998      0.17529232     -3.91743088
  O      0.80027972     -0.81455203      5.24448932
  H      2.74516629      1.23284964     -2.30251856
  H      6.56814304     -0.07320011     -1.34051526
  O      6.04935024      0.16856935     -3.08210739
  H      1.10028533      1.15739601      1.24858912
  H      7.24577289     -0.91389148     -0.21327000
  O      6.65995834     -0.16508646     -0.38231319
  H      0.48273053      2.55973784      1.45698771
  H      7.48020898     -2.67153011      1.94385777
  O      7.01137462     -2.88272323      2.75942685
  H      1.86521633     -2.05108318      4.31457744
  H      6.64482387     -3.76726695      2.62681030
          69
 Energy    -248.40758824135116     
  O     15.93559930      9.39538824    -11.62860897
  H     16.89644640      9.51213408    -11.64831793
  H     12.06767448      6.36099115     -6.16954295
  O     15.98377698      4.13491192     -7.44745632
  H     15.52972221     10.25859116    -11.48294386
  H     18.77995703      5.52609958    -12.52890391
  O     14.85016734     11.85889161    -10.90419366
  H     15.16486799      4.19899956     -7.97254631
  H     20.18779896      5.06486746    -12.97813296
  O     13.67777974      4.57397873     -8.81323490
  H     16.06145458      3.22821907     -7.16385440
  H     16.60264214      6.45659734     -9.36600144
  O     15.09841801      7.05171162    -12.84576314
  H     14.62845996     12.65491219    -11.37917537
  H     16.94082739      5.10193283     -8.68707017
  O     18.67736757      9.53404715    -11.48691623
  H     15.56685040     12.08799036    -10.28307079
  H     19.20131657      7.35966619    -13.64184817
  O     19.39889215     11.32793888     -9.41421361
  H     13.56860261      4.99568385     -9.67323974
  H     18.79779775      8.78820748    -13.25858690
  O     19.42942164      7.16425004    -10.17259444
  H     13.20382082      5.12810150     -8.17947684
  H     15.09453769     11.67316099     -6.08370093
  O     13.11254995      6.07476342    -11.22684672
  H     15.42760190      7.10532960    -13.75508809
  H     14.70216075     10.98096549     -7.41039542
  O     13.49898294     10.70912376     -8.64923785
  H     15.34826000      7.89065195    -12.43230145
  H     17.27470520      7.72007748    -14.82200854
  O     12.83951791      8.02241952     -9.18784858
  H     18.95918064     10.25533005    -10.91263609
  H     16.51541076      7.51683946    -16.14346493
  O     12.67139705      6.44389135     -6.90217873
  H     18.92166927      8.71546989    -11.03047368
  H     14.67941037      7.93223212     -9.19605944
  O     19.70212926      5.81826637    -12.65438492
  H     19.43727083     10.53458815     -8.84859239
  H     15.79832199      8.48914483    -10.10658564
  O     17.22393108      5.71223413     -9.37638727
  H     20.21849372     11.79774968     -9.28629685
  H     16.45038931     11.95998333     -8.22971708
  O     18.79263633      8.16171372    -13.99203158
  H     18.70385643      6.62398249     -9.82506273
  H     17.68727221     12.01091426     -9.16597579
  O     15.44604808     11.16048260     -6.80680592
  H     19.73139613      6.71178457    -10.96980918
  H     15.83079979      7.24258658     -6.21067893
  O     16.42991707      7.42057331    -15.19936793
  H     12.44097757      5.69989837    -11.79218860
  H     15.62519121      5.71532596     -6.38926002
  O     15.63393554      7.93483203     -9.33207434
  H     13.81833639      6.38920519    -11.81671261
  H     17.11312437      5.21315333    -11.14753749
  O     16.77152906     12.30127616     -9.07328302
  H     13.16387074      9.82991945     -8.86693751
  H     16.43865807      5.76019099    -12.41948560
  O     15.22529499      6.51391571     -6.02363167
  H     13.81291793     11.09604479     -9.47561781
  H     18.57233992      8.84897693     -7.54999297
  O     17.13144220      5.16317891    -12.11310311
  H     12.66217563      7.51987378     -8.38024289
  H     19.53075438      8.31119147     -8.64886826
  O     19.40215956      9.02603052     -8.01243136
  H     12.79723374      7.40564177     -9.93018222
  H     16.39795576      9.55222160     -6.75676202
  O     16.78998331      8.69223135     -6.95503026
  H     13.56698218      6.51902980     -6.52429834
  H     16.42511966      8.43672701     -7.81670029
          69
 Energy    -248.40757514200763     
  O     16.43793516     11.02598822    -15.22679552
  H     16.94338247     10.75455810    -14.44905076
  H     11.90812238      8.44459945     -9.19976497
  O     15.21091850      6.64457060    -11.49484345
  H     15.81600147     11.68842450    -14.90188848
  H     16.10596188     12.52022806    -11.04736342
  O     11.27325069      8.63350940    -12.66360397
  H     14.26254058      6.48640633    -11.40868481
  H     14.61873361     12.26199803    -10.74548587
  O     13.68516185     10.91185679     -9.84732864
  H     15.43380272      6.57220926    -12.43351134
  H     14.64999676      9.88543986    -11.05486036
  O     12.96676984      6.82407444    -16.34573145
  H     10.97836615      8.01325898    -13.34679200
  H     15.07919351      8.46468661    -11.56156435
  O     15.95680286      6.62459147    -14.19592184
  H     11.89528435      9.24510623    -13.08475679
  H     11.61674188      3.71663198    -12.72078125
  O     13.23944603     10.23315222    -13.67924845
  H     13.97623687     10.45719027     -9.04523193
  H     12.23645029      5.09334664    -12.39940766
  O     17.02897761      9.47739662     -8.94501227
  H     12.76439024     10.66161341     -9.99450755
  H     19.15734143      7.06367788    -13.80450161
  O     14.19957605      4.56984172    -14.96055743
  H     13.41446441      6.02899318    -16.03564696
  H     17.62069253      7.07284944    -13.65432771
  O     14.61698010      9.26344140     -7.79400182
  H     13.60408938      7.54107396    -16.23274752
  H     10.21687017     10.23479106    -10.07902186
  O     17.72952177      7.25160122    -10.45061299
  H     15.45948652      5.85473247    -14.49768593
  H     11.05728075      9.43812999    -11.10124065
  O     12.45814044      7.71184742     -8.89423599
  H     15.58322433      7.39888653    -14.64377153
  H     12.08401909      7.19964934    -11.82074308
  O     15.21315903     12.77028245    -11.31344135
  H     13.88235240      9.91104467    -13.02604923
  H     12.44573839      6.74215081    -10.38434961
  O     15.02480128      9.39844818    -11.79954165
  H     13.49156674     11.14580189    -13.86303986
  H     11.08872555      5.84022359    -14.13720431
  O     12.12483117      4.42898040    -13.10124886
  H     17.35515691      8.70598161     -9.43165432
  H     11.49823675      6.81845830    -15.24671655
  O     18.44604946      7.42306110    -13.28010731
  H     17.30784656     10.25553381     -9.43820981
  H     17.82174309     11.14471540    -11.44849141
  O     11.08196074      9.86072608    -10.22573907
  H     13.48850023      4.47912901    -14.30630294
  H     18.63171399     12.14839330    -10.59567168
  O     12.44926852      6.46244882    -11.31216080
  H     14.31345904      3.71166231    -15.36255123
  H     14.12806531      9.20419891    -14.93198634
  O     10.86136781      6.68929632    -14.52741615
  H     14.71961599      9.34941209     -6.85001666
  H     15.47001086      9.50238136    -15.59350154
  O     17.79210940     11.69841359    -10.64930310
  H     15.51453165      9.29551414     -8.17384487
  H     14.75923100     12.79580579    -13.00675267
  O     14.81666103      8.79870620    -15.47628424
  H     16.84761119      6.90406260    -10.64590581
  H     14.22736054     13.62318355    -14.19864343
  O     14.47875649     12.74124799    -13.93772389
  H     18.17047499      7.28189576    -11.30577831
  H     16.63227148      9.82865753    -12.46731039
  O     17.51945542     10.03869866    -12.80128537
  H     13.23241782      8.11736199     -8.48569218
  H     17.95654040      9.19641226    -12.97338413
          69
 Energy    -248.40750570372262     
  O     13.68412668      4.24467660    -10.65837964
  H     13.48324226      4.92955013    -10.00372213
  H     18.13350879      6.71398543    -14.43748017
  O     12.69292725      4.80783360    -13.25297812
  H     13.31541776      4.52158628    -11.50620170
  H     18.17878837      4.64375722    -13.65136075
  O     16.42512341      3.86554348    -11.05607551
  H     12.68078544      3.85301618    -13.41905484
  H     19.71411531      4.82480066    -13.66909401
  O     18.22071666      6.05792422    -10.73400678
  H     13.47268752      5.16726360    -13.69561337
  H     13.62465909      9.78148670    -10.77468368
  O     13.40563629      8.34456981    -14.62010605
  H     15.51380854      4.09816312    -10.82719925
  H     14.43316457     10.65455061    -11.74001617
  O     12.93464611      2.09349755    -13.45373695
  H     17.00693634      4.58625784    -10.78842349
  H     15.89438555      8.04721795    -12.19018646
  O     13.16405124      1.55815344    -10.64099736
  H     18.52936728      5.79105561    -11.60779795
  H     15.58298984      7.10495137    -10.99618248
  O     18.41658264      8.79823091    -10.69424709
  H     18.39202521      7.01296756    -10.68813958
  H     12.09934566      7.88452441    -11.71583521
  O     16.27496903      9.74776609     -9.04516912
  H     12.58440900      8.03011605    -14.22230498
  H     13.61690510      7.88055543    -11.42823411
  O     15.04682496      5.98067423    -14.23780074
  H     13.96172174      7.56335438    -14.71705012
  H     15.73781145      1.03889829    -13.13861231
  O     16.99623346      9.28064298    -13.02651276
  H     13.76865236      1.76058809    -13.80547365
  H     15.82930092      0.34498342    -14.52122486
  O     17.54804083      7.33888193    -14.88411256
  H     12.89391358      1.77822827    -12.54187159
  H     10.30094827      6.99476372    -13.42327601
  O     18.89755258      5.25875652    -13.43147852
  H     13.31400654      2.51432781    -10.53878320
  H     11.63075139      6.23232052    -13.21750373
  O     14.31104998     10.46224715    -10.80341470
  H     12.57666762      1.29524039     -9.93739201
  H     16.31808637      2.87152222    -14.06863238
  O     15.30880683      7.33799713    -11.89046141
  H     18.06360309      9.06152508    -11.55657031
  H     16.51593237      3.77559813    -12.82297284
  O     12.75820842      8.14782438    -11.06416539
  H     17.84104289      9.23020690    -10.05238624
  H     16.22733000      1.96162812    -11.14195356
  O     15.59154519      1.16359249    -14.09452910
  H     16.24798297     10.34888427     -8.30544187
  H     14.96359082      1.09318427    -11.04363616
  O     11.22379384      7.11577783    -13.21560013
  H     15.59614239     10.04995165     -9.67371156
  H     12.97334294      7.01935479     -9.55528927
  O     16.61372184      3.74561594    -13.78896758
  H     15.15847108      6.42198622    -13.37736864
  H     14.25402623      6.52759365     -8.85056441
  O     15.86409993      1.10232009    -11.39390197
  H     15.57024190      5.16730536    -14.20823401
  H     16.88473193      6.60246549     -9.46731249
  O     13.31363661      6.33085631     -8.96824674
  H     17.25825686      8.71320004    -13.76698865
  H     16.15207492      7.90213730     -9.02291046
  O     16.03811664      6.95073085     -9.16252015
  H     16.28467470      9.85785851    -13.32751644
  H     14.15448633      9.83733419    -14.02746720
  O     14.61717987     10.61760972    -13.67581558
  H     16.68825143      6.90453380    -14.91375989
  H     14.42225842     11.33992107    -14.26739691
          69
 Energy    -248.40747562423545     
  O     13.55981963      4.92068548     -9.59278415
  H     13.87238917      5.70849091     -9.13107919
  H     17.78370052      9.11715013    -12.10052834
  O     15.37916635      8.16847530    -16.26606498
  H     14.32101655      4.58123236    -10.07917160
  H     14.04541581      8.52675725    -11.56391321
  O     16.20753401     11.74677673    -11.30699902
  H     15.14773264      8.21337365    -17.19086858
  H     15.46655018      8.59003406    -12.17485836
  O     10.81310752      7.76856046    -14.07494897
  H     14.58934109      8.44126693    -15.76960125
  H     10.47187384      4.61780574    -10.06267387
  O     17.69668786      4.21189181    -13.36479041
  H     16.24957768     12.00608889    -12.23731770
  H     11.94672833      5.03495820    -10.25003904
  O     11.49273852      5.24427086    -13.41197661
  H     15.27538386     11.79290536    -11.06363720
  H     19.12468461      7.76718586    -12.89181916
  O     16.91122457      6.83323440    -10.01231749
  H      9.96814876      7.79578272    -14.51592694
  H     20.03330844      8.95671406    -13.26719462
  O     13.34360048     11.71105477    -10.95954266
  H     11.01831969      6.82862695    -13.91732013
  H     14.29431713      6.59098491    -12.81535383
  O     16.18235293     12.22084806    -14.11346276
  H     18.03677593      3.44659242    -13.82024413
  H     14.69001810      5.16211946    -12.39886322
  O     13.45125624     11.60731789    -13.66887796
  H     17.21009516      4.73796420    -14.02511791
  H     17.90285150      9.39855195    -14.53373006
  O     13.28161724      8.95906770    -14.66429786
  H     12.45995513      5.29977373    -13.39078882
  H     16.67288014      9.27271315    -15.47242325
  O     17.04503646      9.15880491    -11.48289823
  H     11.23426126      5.07788261    -12.49704003
  H     16.01669020      6.49128447    -15.53164188
  O     14.56068358      8.30513128    -12.34968055
  H     16.98118944      7.67557647    -10.48734703
  H     15.38633613      5.61919356    -14.44081402
  O     11.04737824      5.15111995    -10.60429026
  H     16.21133399      6.96888006     -9.36251670
  H     18.62789116      5.54259913    -12.45066246
  O     19.13271580      8.64505363    -13.31249925
  H     12.82065879     12.46564407    -10.70123213
  H     18.44030914      6.38460944    -11.17048877
  O     14.20215055      5.66076719    -13.06646634
  H     13.30910842     11.66834722    -11.93240019
  H     10.93880869      7.00251719    -10.95255895
  O     17.23997617      9.90619688    -15.01669418
  H     16.57013590     12.93264426    -14.61531627
  H     10.88112563      7.99096308    -12.13538904
  O     16.14962727      5.67824213    -15.03493104
  H     16.57493383     11.39548882    -14.45021014
  H     16.51539679      4.22269578    -11.85023865
  O     18.98460649      6.29562520    -11.96168274
  H     13.29751509     10.76608025    -14.11601949
  H     16.26454791      5.30089794    -10.77096189
  O     10.98365651      7.94099845    -11.17846726
  H     14.35120764     11.87151537    -13.90140190
  H     14.51225636      7.61611932     -7.55137704
  O     15.88891862      4.50205624    -11.17191199
  H     13.76116700      8.77564137    -13.83968571
  H     14.08263887      7.99627213     -8.98622829
  O     14.57718404      7.34240690     -8.46301808
  H     12.40070118      8.57814220    -14.55879841
  H     12.32679323      8.71652019    -10.38778345
  O     13.16799425      9.06977840    -10.05393310
  H     16.82197871     10.08977031    -11.33651585
  H     13.20451363     10.01019992    -10.26949706
          69
 Energy    -248.40744733745481     
  O     12.44826641      5.89052499    -14.34205656
  H     12.81219427      6.56231157    -14.93935585
  H     14.17207100     12.41753526    -13.09486208
  O     19.28972664      9.80673366    -13.28653198
  H     11.69744862      5.50557285    -14.78857954
  H     17.13023484     11.71222778    -12.41551399
  O     18.39994150      7.73486095    -10.55474384
  H     19.58319241     10.03863379    -12.39814087
  H     16.19370778     11.85560767    -13.65846060
  O     15.24995169     11.00521125     -9.30440985
  H     18.52333567     10.37118358    -13.45933828
  H     15.31254183      7.54820595    -10.04286526
  O     13.12146521     10.20664244    -14.99842562
  H     18.37530920      7.58990259    -11.50986909
  H     16.73854447      8.16637217    -10.01941698
  O     16.72858009      3.29112551    -12.14630072
  H     18.57148384      6.87373543    -10.14562850
  H     16.00855514      9.89632868    -12.79826315
  O     13.65293896      7.78656172    -16.05130494
  H     14.95937749     11.11071932     -8.40152745
  H     15.65751263      8.88407775    -11.65272273
  O     14.63255356      5.93678591    -10.55988062
  H     15.38954921     10.05368262     -9.44084811
  H     19.00050582      4.86181791    -10.65112891
  O     13.60829176     11.94355971    -11.50323591
  H     13.61470273     11.02064094    -14.85000004
  H     17.92180698      4.71135780     -9.55895833
  O     19.21314030      4.63773780    -12.56137656
  H     12.78506105      9.95435925    -14.12537000
  H     15.83027641      7.95949625    -13.83113977
  O     17.51335240     12.01361244    -10.71760500
  H     17.59008329      3.66102806    -12.37623037
  H     15.35202542      7.44867214    -15.20614459
  O     14.48984318     12.55853901    -14.00562945
  H     16.07394362      3.81681975    -12.62702523
  H     20.46279283     10.13093137     -9.90648693
  O     16.93379854     11.35421248    -13.29724963
  H     13.47022893      8.68303269    -15.71423461
  H     19.25688042      9.28685344    -10.37636141
  O     15.79897030      8.37403721     -9.91183124
  H     13.59510923      7.83597157    -17.00190668
  H     17.72382277      7.17472086    -13.85978486
  O     15.50274805      9.10128406    -12.57972321
  H     15.07643668      5.24343558    -10.05603432
  H     18.90775502      8.08155105    -13.42702011
  O     18.75128903      5.15906344     -9.76622746
  H     14.76391245      5.70568879    -11.49046649
  H     16.38137372      3.53077777    -10.45340213
  O     16.01948171      7.30667255    -14.52696747
  H     13.12246329     11.12978142    -11.70246394
  H     16.02129119      3.04289534     -9.02834338
  O     19.66352115     10.16822958    -10.42579433
  H     14.16112129     11.73308035    -10.74287658
  H     15.41617310      5.82800694    -13.69207532
  O     18.53737418      7.18924165    -13.33930057
  H     20.00822480      4.34742867    -13.00163876
  H     14.03160922      5.16922030    -13.59942524
  O     16.21503406      3.82469197     -9.53860504
  H     19.02915528      5.53508675    -12.88606558
  H     12.86560622      6.51020452    -11.11973640
  O     14.92573010      5.12609977    -13.24118147
  H     16.78966170     11.73758763    -10.14201404
  H     12.17149830      6.49217794    -12.49993093
  O     12.12180936      6.87459700    -11.61556024
  H     18.26952904     11.45125304    -10.50565965
  H     12.39895456      8.61804921    -12.03189053
  O     12.74705295      9.45203533    -12.37179499
  H     14.28278385     13.46238919    -14.22843123
  H     13.70384872      9.32765510    -12.47187295
          69
 Energy    -248.40731897510994     
  O     13.76981328     13.32818404    -14.78224749
  H     13.13464730     14.03987968    -14.81331169
  H     14.44051872      6.22021899    -15.23930313
  O     17.46571496      6.51315485    -14.01801493
  H     13.73185769     12.95923875    -13.88358707
  H     16.21610322     10.24306673    -14.45684398
  O     18.69462823     10.71478307    -12.40216484
  H     16.67235745      5.97440125    -13.92327191
  H     17.28198664     11.06021052    -15.23163091
  O     16.47410526     14.08219242    -13.93134201
  H     17.39756532      6.94184238    -14.88247585
  H     16.30619491      7.82250524    -19.92934798
  O     14.94747767      5.11273982    -13.83215136
  H     18.69814844      9.75644308    -12.31174689
  H     15.41175180      8.42186405    -18.83162429
  O     15.26227347     10.08363231     -8.99298722
  H     18.21817009     11.06187356    -11.63294420
  H     14.47514926      9.47455808    -13.45361853
  O     13.92545555      6.52750553    -11.77877052
  H     15.67873507     13.83122970    -14.41348714
  H     15.50956977      9.30854504    -12.29762343
  O     13.98233421     12.24915976    -12.25202925
  H     17.18146204     13.48777815    -14.21430470
  H     14.91836974     10.75642359    -16.06334642
  O     13.80154925      8.72524836    -18.07504032
  H     14.82589338      4.17961174    -13.68070613
  H     13.80831823     11.80575978    -15.88705761
  O     15.97286925      8.18657382    -10.92285184
  H     14.54939604      5.57629995    -13.07309947
  H     18.18800383      7.38543295    -12.72464457
  O     16.91422930      7.88744131    -16.37711015
  H     14.39649868     10.21564484     -9.41912253
  H     19.32013058      7.42196769    -11.67076287
  O     14.32350698      6.96453139    -15.84233673
  H     15.10237466     10.03084771     -8.05461318
  H     12.16233238      8.67852891    -12.97490338
  O     16.56531984     10.42524343    -15.34284681
  H     13.15676358      7.10724796    -11.79687975
  H     10.90087724      8.28019099    -12.17681461
  O     16.33016753      8.18972412    -19.04995856
  H     14.64956922      7.04914043    -11.40297704
  H     16.18642870     14.12325331    -12.21999714
  O     15.21850730      9.89800916    -13.00329251
  H     14.49831412     11.45827258    -12.47743750
  H     15.93561747     14.91959766    -10.91574642
  O     13.98093301     10.92618282    -16.24282433
  H     14.58233515     12.86991407    -11.81784474
  H     19.39884771     12.43882634    -14.91491137
  O     18.54051742      7.88515848    -11.96532391
  H     13.76659228      9.55529607    -17.58252105
  H     18.63632516     11.70452720    -13.78160311
  O     11.83062557      8.47410189    -12.08385464
  H     13.77370718      8.02478348    -17.41115057
  H     16.55941669     11.22329151     -9.80058007
  O     15.90844013     14.04312801    -11.28918362
  H     16.91266749      8.09120607    -11.12507508
  H     16.80143355     12.54983415    -10.55521157
  O     18.52540026     12.24917666    -14.58463042
  H     15.86630322      8.77794106    -10.16731634
  H     13.13207164     11.17359847    -10.96279219
  O     17.21855865     11.71775067    -10.30078945
  H     16.86345197      7.93078033    -17.34224079
  H     12.51719685      9.76426605    -10.85997390
  O     12.93310104     10.46209965    -10.33966884
  H     16.87438242      8.79837111    -16.05202750
  H     13.18886205      9.71267044    -15.08835293
  O     13.03922216      8.97189282    -14.48607797
  H     15.21642849      7.27777664    -16.05040872
  H     13.41903884      8.19180806    -14.91745595
          69
 Energy    -248.40730412941821     
  O     18.09124301      5.61569132    -11.95397763
  H     18.88505295      5.54046623    -12.50393010
  H     19.59235256      7.83959535    -16.28265528
  O     19.20208311      5.17992018    -18.28388263
  H     17.63830227      6.41964320    -12.24360766
  H     17.63154175      6.69215442    -16.03660761
  O     16.61521747      5.23567549    -19.49554395
  H     18.37141495      5.11937627    -18.76909115
  H     17.12447623      5.31804511    -15.51342079
  O     14.16574831      6.26566201     -9.69459085
  H     19.22797431      6.08322143    -17.93444770
  H     13.30474494      7.94707970    -13.81490740
  O     14.09657275      4.72065664    -13.58121339
  H     16.13380606      4.68085970    -18.85576751
  H     12.28288454      8.71333163    -14.67269693
  O     16.68371347      7.69878858    -13.13727066
  H     16.38731646      4.91245390    -20.36352075
  H     15.44120718      1.55700178    -10.14610122
  O     17.24391122      3.48253198    -15.58227659
  H     13.96993878      6.60177016     -8.82437699
  H     14.71167500      2.82271741    -10.65999253
  O     13.30633271      3.83343411    -10.99104785
  H     15.05367845      5.86684071     -9.64811351
  H     13.78059259      6.83637363    -15.71147851
  O     20.39528950      8.30188979    -14.69649619
  H     14.05757502      5.00369816    -14.50060102
  H     15.22048972      6.24835425    -15.90946728
  O     15.29799269      3.87209064    -17.55821495
  H     14.95936719      4.30560619    -13.43680195
  H     20.26710383      6.47877205    -14.10391368
  O     19.97133576      3.81093129    -16.08886876
  H     15.77111537      7.63340961    -12.83108177
  H     20.12643651      5.00935909    -14.57318824
  O     18.99373306      7.59790681    -17.00151196
  H     16.75770231      7.18220003    -13.95542385
  H     17.11148312      4.24875143    -12.59875397
  O     16.96053316      6.26989465    -15.48789990
  H     18.20035849      3.43999847    -15.70920585
  H     16.29117509      3.00041853    -12.17053341
  O     13.03042932      8.12362140    -14.72852823
  H     17.05529955      3.33192417    -14.64508472
  H     17.20883120      5.23666292    -10.35729565
  O     15.58629811      2.40868759    -10.54832628
  H     13.43213499      4.65659841    -10.50228081
  H     16.35496524      4.05694949     -9.84624938
  O     14.28099704      6.11247625    -16.11702671
  H     13.35938436      4.06950944    -11.92649435
  H     14.91451693      7.16529900    -17.68486176
  O     20.12185791      5.57660421    -13.79387034
  H     19.60908729      8.85353123    -14.53270146
  H     15.94858873      6.88324251    -18.78410477
  O     16.55088034      3.53220298    -12.93211754
  H     21.15546365      8.83385709    -14.47671174
  H     14.05308984      6.31661185    -12.74493292
  O     16.55777289      4.98658066     -9.68732982
  H     15.95100804      3.59093110    -16.90096365
  H     14.04229091      7.03384771    -11.37586257
  O     15.52338368      7.59793532    -18.29296541
  H     14.74936296      4.53529430    -17.12155614
  H     17.61710793      9.74539426    -15.32258920
  O     14.05604207      7.19215100    -12.32741051
  H     19.74539968      4.26479213    -16.92134318
  H     17.53003073      9.12682989    -13.90651001
  O     18.07270611      9.69299934    -14.47467521
  H     20.68176407      3.20715394    -16.28877865
  H     16.93031566     10.38329930    -17.73039237
  O     17.04100072      9.59082221    -17.21104446
  H     18.43054884      8.36288425    -17.17555048
  H     16.44392551      8.92522533    -17.59579024
          69
 Energy    -248.40730131786731     
  O     16.37518784      9.19648195    -11.98836707
  H     16.59371560     10.13633658    -12.00522217
  H     13.05188544      9.61027952     -9.47733561
  O     16.13466915      6.12032869     -8.06599592
  H     17.19024462      8.68084660    -11.90858639
  H     13.54566468      9.25564669     -7.09812323
  O     16.93524329     11.90721360    -11.78933501
  H     15.97059459      6.96843669     -8.50946294
  H     13.03274691      9.16712134     -5.64489156
  O     13.40363320      6.17357081     -7.44337914
  H     16.57302190      5.58391135     -8.73509797
  H     17.99805390      2.68780392    -12.95820384
  O     14.24326953      7.83150393    -12.99034236
  H     17.73634034     11.85529622    -11.23809371
  H     16.76860593      3.61798983    -13.09775194
  O     18.46368840      7.49362663    -11.43000556
  H     17.07457153     12.61061423    -12.41767067
  H     18.33093060      6.71379000    -13.16531488
  O     19.71622710      8.93403612     -9.31049565
  H     14.33656434      5.98370694     -7.61376903
  H     18.07425667      5.26506180    -13.60630819
  O     17.04683152      5.22794603    -10.57009402
  H     13.38900364      7.00951459     -6.96274582
  H     17.66329584     12.56410358     -6.86297186
  O     12.11378046      5.95144877     -9.79314512
  H     14.55696675      7.41078759    -13.80008369
  H     17.57616098     11.16863043     -7.52648823
  O     15.22699116     12.02330976     -9.43687168
  H     14.97629654      8.38618435    -12.68018957
  H     15.68050691      6.59710217    -16.00405367
  O     12.47915433      8.59721599    -10.83663842
  H     18.96741156      7.92516962    -10.73073370
  H     16.48490568      6.41843563    -14.69620704
  O     13.50545798      9.99041399     -8.70883560
  H     18.00278495      6.73688975    -11.03672935
  H     15.97165126      8.75759792    -10.27082179
  O     13.63843541      8.76556310     -6.26311707
  H     20.53710825      8.69028815     -8.88857170
  H     14.96785105      8.99822486     -9.11612834
  O     17.68908108      3.57163530    -12.78073387
  H     19.05722445      9.03157416     -8.60297494
  H     19.37006074     10.75770331     -9.91250966
  O     18.05288771      6.17871045    -13.91879773
  H     17.37189954      4.56685900    -11.19243693
  H     18.61809955     11.92713798     -9.24291410
  O     17.53311740     12.12493031     -7.69941173
  H     16.11476532      5.37362771    -10.79737113
  H     15.43416692      8.15090070     -5.82290686
  O     15.58501874      6.44169959    -15.06811103
  H     11.32023438      5.43320071     -9.69251407
  H     16.35148897      7.06176683     -6.40466449
  O     15.79566454      8.55633802     -9.34437017
  H     12.52345795      6.01615489     -8.91163907
  H     13.62231524      5.58094099    -10.80667080
  O     19.01527904     11.63903443    -10.07586263
  H     15.93280685     12.16040774     -8.79366055
  H     14.35398373      6.37738098    -11.91080617
  O     16.33433904      7.80337622     -5.78347196
  H     15.66310699     12.02891206    -10.29636391
  H     17.35309613      8.90183973     -6.76989090
  O     14.40533477      5.57663037    -11.36901693
  H     12.95366047      8.43950248    -11.66136221
  H     17.02178991      9.19293926     -8.24279265
  O     17.65829183      9.40068923     -7.54026848
  H     12.25147265      7.72267188    -10.49589374
  H     14.75162610      4.41858380    -12.79183955
  O     15.13449268      4.02366207    -13.58806333
  H     13.99226440     10.78131885     -8.98503197
  H     15.17954728      4.74389012    -14.22920299
          69
 Energy    -248.40690839171276     
  O     14.34893606      9.32235911    -14.86437805
  H     15.01043087      9.01144398    -14.23136415
  H     11.97540240     11.31194422    -13.13223992
  O     14.75606695     13.04587882    -14.57394785
  H     13.80170274      9.95977178    -14.39112576
  H     15.04650730      9.20214929    -17.93828146
  O     20.19159591     10.37054980    -10.90132935
  H     13.96745714     12.64263563    -14.19414410
  H     14.96146337      9.65078075    -16.46141095
  O     20.42411303     12.05848922    -13.06188933
  H     15.46876672     12.41260934    -14.39070841
  H     17.09503454     13.28587789    -11.12355180
  O     14.35552278     11.33106446    -11.07424801
  H     20.32932138     11.02107139    -11.60912922
  H     16.44496530     13.86916487     -9.84908634
  O     17.69304366     10.57507625     -9.59633888
  H     21.04928255     10.19539209    -10.52078795
  H     19.65803928     14.17624469    -16.02594372
  O     16.36820910      8.82264709    -12.94922514
  H     20.29031022     11.38472076    -13.74483134
  H     18.93261146     15.08212734    -15.02862314
  O     14.99450791     12.70835209    -17.35253678
  H     21.09722903     12.66626712    -13.39358127
  H     19.39168319     10.15604429    -15.54986837
  O     19.21666840     12.94035779    -17.30452085
  H     14.67977767     10.48439579    -10.74287930
  H     20.88388091     10.55635258    -15.55696975
  O     22.10573309     13.87089008    -14.33814110
  H     15.03230121     11.98031777    -10.85092097
  H     16.41758836      9.46357214     -9.94114769
  O     17.85652475     10.69875468    -16.35960570
  H     17.36891107     11.46901169     -9.76300876
  H     15.48319675      8.28695814     -9.56123107
  O     12.90203755     11.32921373    -13.35525100
  H     18.56888264     10.51614003     -9.99757150
  H     16.23418093     13.87439618    -17.65000678
  O     15.34637739      9.87112880    -17.32901423
  H     17.31487392      8.61308108    -12.97099544
  H     16.67064237     15.20753309    -18.30577948
  O     16.54270111     13.06596461    -10.35478935
  H     16.08268085      8.76443676    -12.02972983
  H     20.99737530     12.28173835    -16.92282715
  O     19.80983285     14.84573647    -15.34177372
  H     14.77804103     12.85145971    -16.42071193
  H     22.04487923     12.55779909    -15.82766509
  O     20.21039358     10.09381529    -15.03754665
  H     15.07620570     11.75346882    -17.45860422
  H     19.46983464      9.04540001    -12.15856382
  O     15.64486776      8.94469802    -10.23148750
  H     18.76466857     12.13441194    -17.01476565
  H     19.55819502      8.94902635    -13.68977789
  O     16.94329271     14.54267499    -17.67944190
  H     18.51577457     13.52413020    -17.62170224
  H     16.65546484     10.52747629    -13.47739216
  O     21.75189177     11.89218269    -16.46033017
  H     22.78837562     14.52722955    -14.23258355
  H     17.30411632     11.95268457    -13.32063884
  O     19.10179020      8.58373196    -12.91988802
  H     21.31555964     14.33464531    -14.67314576
  H     16.10575683     14.36792230    -14.63291278
  O     16.83336448     11.36682624    -13.92236085
  H     17.10565157     10.32358530    -16.83226140
  H     17.01421614     14.79230709    -15.78387718
  O     16.95596070     14.79074381    -14.81908784
  H     17.50657539     10.98753954    -15.50198521
  H     17.77753067     13.98752339    -13.33945634
  O     18.07139082     13.47603387    -12.57333827
  H     13.39288970     11.33196203    -12.51337199
  H     18.94396667     13.10573859    -12.76486019
          69
 Energy    -248.40675091331622     
  O     -3.19719885      4.58520366      1.89726033
  H     -4.13264989      4.77698115      2.03226441
  H     -3.80275314      0.93049674      0.28185594
  O     -0.46391431      4.39770869     -1.08029834
  H     -3.13131611      4.23641041      0.99392722
  H     -4.90052591      3.92600294     -0.83338557
  O     -0.51198025      1.24681493      2.73375188
  H      0.07515827      3.59958938     -1.01136309
  H     -6.08050860      2.96058855     -1.02277158
  O     -1.59354664     -2.31466139      1.32029426
  H     -0.37640834      4.85456773     -0.23445349
  H      0.31129347      1.29102866     -0.40382620
  O     -4.32845976      0.94410360      1.95248106
  H     -0.73734069      0.91451976      1.85544749
  H      1.63868046      1.54757503     -1.14895223
  O     -6.85071290      2.11664881      2.37342384
  H      0.16750038      1.92501353      2.60823169
  H     -6.04282248      4.46092498      0.92783430
  O     -6.79077654     -1.51264815      2.69444261
  H     -1.61829159     -3.19864147      0.96267014
  H     -6.59201296      5.54841702      1.88233364
  O     -2.78664942      2.46381795      3.68443849
  H     -2.46251651     -2.15446177      1.72737899
  H     -2.19011138      3.95131378     -0.99059049
  O     -6.14538224      1.10390884     -1.65067981
  H     -3.79417895      1.45836659      2.57145981
  H     -3.14462551      2.73055969     -0.75840970
  O     -3.91858334     -1.69922470      2.65359067
  H     -5.23438650      1.27201846      2.01567527
  H     -3.75166583      0.08211928      5.50616983
  O     -2.84826499     -1.55105288      5.27305022
  H     -6.93041690      1.76914306      3.27237986
  H     -3.73358106      1.53682467      4.98621375
  O     -3.53050408      0.94758035     -0.65044235
  H     -6.62913534      3.05358561      2.40357416
  H     -1.48595583      5.23115571      1.79892611
  O     -5.85266349      3.83321717     -0.68366030
  H     -5.86458452     -1.78068318      2.67341936
  H     -0.43447770      6.35366264      1.91126040
  O      0.97012596      1.97169071     -0.61621714
  H     -6.85841506     -0.87220330      3.41260892
  H      0.67320089      4.02593303      1.90297524
  O     -6.03424783      4.77537648      1.85192954
  H     -1.93694345      2.06641239      3.44238069
  H      1.27864355      2.87290643      1.07233978
  O     -3.07883871      3.69349568     -0.70963549
  H     -2.88841015      3.26669139      3.15757673
  H     -5.92718649      0.73186764      5.03499310
  O     -4.26445146      0.89938222      5.48229377
  H     -6.62195635      0.88149752     -2.44567371
  H     -7.39253844      0.58143632      5.50611386
  O     -0.56095263      5.45602955      1.61215753
  H     -6.62826734      0.69166606     -0.91070954
  H     -0.42625029     -0.38623742      3.58347287
  O      1.20765476      3.22445449      1.96911609
  H     -3.65196239     -1.70027536      3.58224962
  H     -0.73829781     -1.77649959      3.00905802
  O     -6.84595367      0.63486001      4.72678541
  H     -4.09287110     -0.77681290      2.40909984
  H     -1.85771134      0.42974551     -0.24832068
  O     -0.56779089     -1.31001987      3.83550910
  H     -2.75100637     -2.20200686      5.96299546
  H     -1.11278468     -0.72826852      0.46176381
  O     -1.00906037      0.17774161      0.14425807
  H     -1.97575753     -1.45677577      4.85089389
  H     -7.26658131     -0.58310471      1.12502816
  O     -7.42504599      0.14795724      0.51350017
  H     -4.34984987      0.90692931     -1.15867252
  H     -7.42181665      0.93354466      1.07819405
          69
 Energy    -248.40589743407730     
  O     11.61428105     11.51681662    -15.91897694
  H     11.75093957     10.76547506    -15.31579055
  H     14.47305056     10.15158499    -12.44670669
  O     13.78962838      9.88712114    -20.02578718
  H     10.84540279     11.98683450    -15.60693627
  H     17.13443574      9.21574626    -14.99743279
  O     11.30122179      7.24104792    -17.28246431
  H     13.44068037      9.98412718    -20.90752286
  H     16.59484859      7.88572288    -14.33930593
  O     12.78777106      7.41807434    -10.59231268
  H     13.02578230      9.88389740    -19.41834506
  H     14.30232860      4.96819256    -11.40422360
  O     14.42337921     11.63533430    -16.07876095
  H     11.02594684      7.06322365    -16.37453360
  H     15.41017142      4.93200201    -10.32210876
  O     18.13504164     10.90487228    -18.02177699
  H     11.99062068      6.59490391    -17.47387699
  H     14.09361959      6.22795694    -18.07022000
  O     15.60256386     11.61032097    -18.68866891
  H     13.12631153      8.20799467    -11.03490970
  H     13.67372838      4.74521796    -18.19299975
  O     13.07454504      4.27391455    -12.44928809
  H     13.54064963      6.81860946    -10.51900879
  H     15.41197608      6.57236505    -12.37656260
  O     11.78702125      9.79010376    -18.25029316
  H     14.46564371     10.66765935    -16.16045430
  H     14.79858820      6.64202307    -13.79866343
  O     14.44354228      8.88770000    -16.17904859
  H     13.48225224     11.84848064    -16.07887347
  H     11.48161894      6.54300360    -11.34953714
  O     14.86750334      7.66926735    -18.68591080
  H     18.78164997     11.37850091    -18.53797113
  H     10.10955191      5.83695103    -11.23229620
  O     13.99784392      9.33508917    -12.24026447
  H     17.25818638     11.18716372    -18.33964845
  H     12.70345024      6.12256306    -14.70963058
  O     16.96470492      8.27483916    -15.14309015
  H     15.01102967     11.05937732    -19.21652662
  H     13.69871888      5.58189034    -15.76018986
  O     14.93020647      5.51776191    -10.90074810
  H     15.13210926     11.79455880    -17.86718624
  H     17.77572732      9.02251790    -18.04436715
  O     13.59704413      5.51426847    -17.63401240
  H     12.23131200      4.68931208    -12.22936514
  H     17.40156666      8.01008791    -16.95303336
  O     15.39300010      7.09952668    -13.18474317
  H     13.29196068      4.58503446    -13.33873935
  H     12.80471902      9.39259853    -13.59416491
  O     10.84114983      5.98407707    -11.82567405
  H     11.55070076      8.90788889    -17.92501415
  H     13.00917550      9.06581909    -15.09557647
  O     13.58157635      5.72876993    -14.81454281
  H     11.63231044     10.40833677    -17.53014851
  H     10.84640505      6.58508209    -13.58734506
  O     17.44091260      8.12745174    -17.91230052
  H     14.42025953      8.51161472    -17.06608850
  H     11.38471299      7.80429201    -14.39177817
  O     12.34327558      9.33150658    -14.44163351
  H     15.29418145      8.63275228    -15.79839880
  H     16.34091733     11.41155219    -15.59001081
  O     11.05681185      6.89616919    -14.47638824
  H     14.55921343      8.37070017    -19.27131466
  H     17.70711656     11.05354739    -16.17755496
  O     17.21453479     11.08011247    -15.34639590
  H     15.81390251      7.80153946    -18.51504667
  H     16.17927506     11.47356582    -13.58064229
  O     15.27094808     11.56525159    -13.27277952
  H     14.53597813      8.59987321    -12.56933022
  H     14.76941318     11.74692057    -14.07636238
          69
 Energy    -248.40589567792540     
  O     15.85453289      9.86341202    -16.70158759
  H     16.57271214     10.50054393    -16.59435628
  H     19.32262686      8.64385340    -17.16136333
  O     17.35378915     12.74547506    -10.87067696
  H     15.05353920     10.25764456    -16.33591477
  H     16.74138071      7.05909959    -15.20036217
  O     19.52040158      8.11338160    -14.10874621
  H     16.44169574     12.53752697    -10.63299691
  H     16.55165134      8.55785018    -15.59233107
  O     13.91949276      5.94192568    -16.37925423
  H     17.45376648     12.46903045    -11.79174570
  H     12.94651622     11.58810429    -15.66595925
  O     16.26647590      9.54493337     -9.29595769
  H     18.60855791      8.06628937    -14.43792673
  H     13.88799154     11.06503279    -14.55629289
  O     14.94749629      8.41910347    -12.95885213
  H     19.46129221      8.57977711    -13.26554176
  H     16.00790080      7.76812960    -11.69923127
  O     17.46081854     11.40693908    -13.37335524
  H     13.54542692      6.69727471    -15.89277070
  H     16.96205248      6.57669644    -11.51521046
  O     19.54266130      5.34125976    -13.89962460
  H     13.18374148      5.47308816    -16.76423722
  H     13.56448819      8.05396850    -14.15290181
  O     18.74322110      4.65163053    -16.55380644
  H     17.14668539      9.92800386     -9.19097104
  H     13.02534346      8.97918794    -15.24386342
  O     16.36709841      5.20146872    -15.29155729
  H     16.39087399      8.72061588     -9.78299185
  H     18.34519852     11.65549406     -9.90442405
  O     17.21777591      4.99162904    -12.55384547
  H     15.63712788      8.26337292    -13.62522354
  H     19.44521162     11.28102371     -8.87964770
  O     19.66393338      9.36090234    -16.60532227
  H     14.83444058      9.37572887    -12.89343792
  H     18.86803292      9.86174328    -11.00682588
  O     16.84519535      7.96586996    -14.88740156
  H     17.90531946     10.66542070    -12.93904109
  H     18.03817843      8.69135879    -11.59777233
  O     13.52697219     10.86658676    -15.43704886
  H     17.75192744     11.44003283    -14.29237926
  H     14.13789723     11.87389479     -9.58670528
  O     16.74562989      7.44532502    -11.15803831
  H     19.70206391      6.29489200    -13.94548020
  H     15.24153195     10.83420788     -9.89027010
  O     13.02128919      8.06072463    -14.95341041
  H     19.46410747      5.04338774    -14.81400364
  H     18.74913112      6.33686939    -17.53073723
  O     18.78406040     10.90984229     -9.45690896
  H     18.71813576      3.84290665    -17.05950745
  H     17.61779351      7.22676341    -18.08507398
  O     18.66888540      9.38992463    -11.82369871
  H     17.85293664      4.77720522    -16.18253755
  H     14.61971659     11.41052420    -12.06958102
  O     14.77271346     11.60993259    -10.24725572
  H     16.40691881      5.09359703    -14.33323400
  H     15.69576154     11.31909817    -13.18893034
  O     18.57102891      7.19850253    -17.92177447
  H     15.45324447      5.34381495    -15.57203737
  H     18.70536251     10.72489903    -16.32881004
  O     14.74869442     11.21444103    -13.00609949
  H     17.24262573      4.16286615    -12.08155445
  H     18.43258448     12.22638001    -16.58807002
  O     18.09839292     11.46248240    -16.12616950
  H     18.08947676      5.09488737    -12.97879910
  H     15.12785026      6.91381226    -17.61940640
  O     15.77842728      7.42464536    -18.11151467
  H     19.86115918      8.95714424    -15.75063886
  H     15.71830069      8.32865189    -17.77288904
          69
 Energy    -248.40589357986835     
  O     15.53142569     12.03373337    -12.16270815
  H     16.27927527     11.54287102    -11.79985749
  H     13.79285944      6.42010789    -16.33749400
  O     17.40235130      9.16613383     -7.08536283
  H     15.02389027     12.33030828    -11.39773143
  H     11.36209129     10.78103591    -10.01569259
  O     16.41438982      5.98402590    -11.25697625
  H     16.73706184      9.72270816     -7.52119124
  H     11.78366988     11.04982249    -11.47895607
  O     18.77035473      6.08409507     -9.85191946
  H     17.57890383      9.56713549     -6.23749371
  H     15.81454855      8.69480126    -14.20098012
  O     16.93089366      6.38059703     -7.66067936
  H     15.79376581      6.06423571    -10.51937187
  H     14.93089653      9.74189069    -14.90858962
  O     17.29413455     10.36226839    -10.71284614
  H     15.93017614      5.58261091    -11.99344018
  H     18.69970130      8.96919404     -8.50590223
  O     14.06955257     12.64774109     -9.78482598
  H     19.37378153      5.38442858    -10.08921400
  H     19.13013031      7.93858333     -9.56464215
  O     10.32637160      7.47597697    -10.93354310
  H     17.99473026      5.99063304    -10.43017393
  H     15.35709125      6.09920835     -8.49208971
  O     15.48489152     10.56608220     -8.51672295
  H     17.05919215      7.29424723     -7.37767959
  H     14.18044343      7.01019504     -8.88746869
  O     13.90439813      8.69414747    -11.50823452
  H     17.64828091      6.19731256     -8.27961816
  H     11.87482785      9.26898931    -13.43086906
  O     12.80929561      6.18598538    -11.25853483
  H     18.07526314      9.92873395    -10.33853401
  H     12.72188266     10.57330375    -13.66400166
  O     13.72103804      6.69478700    -15.42749126
  H     16.65334420     10.41695132     -9.99213443
  H     12.24906181      7.19296878    -14.41336105
  O     11.79754731     11.42361104    -10.58764095
  H     13.23402418     12.22476237    -10.05418710
  H     11.88387097      6.86533554    -12.97033063
  O     15.26881391      8.84269468    -14.98690048
  H     13.85467003     13.54017569     -9.52630851
  H     10.50025656      8.67473562     -9.65645690
  O     19.15426058      8.88010833     -9.35314637
  H     10.21455385      7.67001816    -11.86685788
  H      9.98685569      9.33699384     -8.35722857
  O     14.59360850      6.15855098     -9.08597215
  H     11.09346453      6.88776400    -10.88800907
  H     13.92473277      5.29796612    -12.58146388
  O     12.09875332     10.13676176    -13.06722831
  H     14.79041424      9.89037819     -8.51638569
  H     14.41367291      5.59251055    -14.00689329
  O     11.63330126      7.43351989    -13.70618319
  H     15.06448717     11.37291604     -8.83950429
  H     14.70152463     11.65785824    -13.63481541
  O     10.71820993      9.32795699     -8.96915154
  H     14.78001406      8.67483595    -11.91286740
  H     14.22422158     12.16542827    -15.01599916
  O     14.65662212      5.14004734    -13.19040891
  H     13.33530307      9.26718024    -12.03524489
  H     13.64108021      8.79074687     -9.78207170
  O     14.19055540     11.41509458    -14.42861580
  H     13.19834839      7.05948854    -11.43721848
  H     12.54144435      8.91760026     -8.69931771
  O     13.47618718      8.72065978     -8.82622693
  H     13.26609776      5.87881165    -10.46475934
  H     16.85843072      9.12301217    -11.93235867
  O     16.47534369      8.46381030    -12.52754192
  H     14.29654846      7.47453584    -15.32097943
  H     16.57079959      7.59804379    -12.10931097
          69
 Energy    -248.40570273958514     
  O     14.01438434     11.92873372    -15.02872928
  H     13.52118173     11.77978562    -14.21163191
  H     14.06051549      5.98945059    -15.41907252
  O     14.88900922      6.39025019    -13.72955237
  H     14.92885979     12.09549913    -14.77900033
  H     20.06956980      5.91344594    -15.07048496
  O     18.29176945      8.39586987    -11.54131408
  H     14.26468153      6.59966171    -13.02218310
  H     19.68429672      7.26832634    -14.42191456
  O     18.76602565     10.72772907    -15.52628526
  H     15.11532054      7.23983297    -14.13853396
  H     14.94576228      9.14237299    -15.37868910
  O     11.66701426      7.95706045    -16.10495466
  H     18.20872844      8.29963113    -10.58464710
  H     16.37599531      8.54566059    -15.34711500
  O     15.07213839      8.50818813     -8.75945155
  H     17.97205483      7.57017037    -11.93567590
  H     12.05963146     10.44762455    -13.02833638
  O     13.22441633      7.32669068    -11.70642978
  H     19.27820143     11.31072485    -16.08343640
  H     11.65089307     11.85415498    -12.52982409
  O     16.42103216     10.11854745    -12.56061898
  H     18.07588936     11.27406826    -15.12125017
  H     16.99425283      5.51181410    -10.97037453
  O     15.33405025      7.63154197    -17.87457914
  H     12.31462284      7.23114834    -16.16739047
  H     17.15728843      6.19500429     -9.59629163
  O     14.07707197      5.90084802     -9.44996323
  H     10.93733525      7.72284912    -16.67195103
  H     12.00759546      8.18088775    -12.88504079
  O     17.77314414      8.20024538    -16.43394292
  H     14.70585212      9.09620475     -9.43330860
  H     11.56293055      8.50367385    -14.33804589
  O     13.61773890      6.10083749    -16.26864282
  H     14.62385008      7.66057890     -8.87099397
  H     19.52481262      8.79903583    -12.87326783
  O     19.32523845      6.45727442    -14.82580379
  H     13.38196296      6.76193567    -10.93981559
  H     19.64402131      9.55701611    -14.22240816
  O     15.63334183      8.80909124    -14.78736938
  H     13.56008226      8.20344525    -11.47027111
  H     16.53780760      6.06316406    -13.10420661
  O     12.40748983     11.31125563    -12.73599319
  H     16.09650003      9.63555036    -13.33915822
  H     18.05110338      6.00482219    -13.47092694
  O     16.69504287      5.48128497    -10.05245097
  H     17.10906419      9.57808481    -12.15064331
  H     18.11767720      8.03836155     -8.00909191
  O     11.58467849      8.85027445    -13.43754294
  H     16.23692941      7.77530660    -17.56838359
  H     16.78194902      8.18840288     -8.77751852
  O     20.01519746      8.83200099    -13.70701312
  H     14.85114786      8.44015050    -17.65497826
  H     13.50812786     10.47066708    -11.47143289
  O     17.43214585      6.02839296    -12.73242631
  H     14.99274564      5.66594610     -9.68490253
  H     14.98079635     10.01498417    -11.50496519
  O     17.71105332      7.90662063     -8.86097755
  H     13.73077773      5.17807262     -8.93388999
  H     16.96469553     13.07610682    -13.69110723
  O     14.14835754      9.90536928    -11.02274857
  H     18.30303473      7.52684267    -15.98822761
  H     16.69287237     11.56661228    -13.48076335
  O     16.82831272     12.25440454    -14.15718989
  H     18.17758869      9.05620068    -16.24288494
  H     13.77585065     10.58372098    -16.20505260
  O     13.80947511      9.73253025    -16.66652219
  H     14.26330316      6.49532096    -16.87401000
  H     12.98018996      9.26567327    -16.50362069
          69
 Energy    -248.40569543065186     
  O     15.75579072     11.19833706    -11.13035717
  H     16.61528482     11.31888689    -11.54933272
  H     17.58100911      7.46255483     -8.99801650
  O     12.27337426     10.40874339    -10.43196390
  H     15.20231220     10.66057016    -11.71208697
  H     18.50045530      8.49627956    -14.86116555
  O     14.53530010      7.87440400     -8.10342493
  H     12.68182458     10.20957951    -11.28369478
  H     18.53734105      7.02943234    -15.33567483
  O     16.60092921      5.94247791     -8.46379431
  H     12.62502152     11.28073492    -10.19674671
  H     19.25865714      8.98425192    -10.42618473
  O     12.62349928      9.94496247     -7.60475032
  H     15.16967400      7.14903063     -8.10987010
  H     20.03953722      8.61323838    -11.70455587
  O     13.72578138     12.69990028     -9.79806937
  H     15.04347766      8.67762518     -8.28838870
  H     14.30670097     12.33944691     -6.26146056
  O     14.85974727      9.61171808    -15.32979078
  H     16.85126643      5.25678127     -7.84988744
  H     13.71901998     11.24589424     -7.18595747
  O     17.33796167      5.55083131    -15.32809551
  H     16.37301887      5.49951541     -9.29963718
  H     12.38472129      8.47811616    -10.27545840
  O     13.91229959      9.67836254    -12.67569836
  H     13.11384166      9.11371394     -7.58747264
  H     13.33802696      7.59517795     -9.45650158
  O     16.84817925      7.85639728    -11.94056981
  H     12.36503349     10.07651806     -8.52665047
  H     17.68965737     10.36845420    -13.59358855
  O     18.13458014      5.47557468    -12.63541439
  H     13.97733810     12.62115517     -8.87008615
  H     17.06569471      8.98598432    -13.32073282
  O     17.89849207      8.29302724     -9.37338456
  H     14.47834968     12.36301430    -10.30237335
  H     20.04968496      7.38649638    -13.69201045
  O     19.10055746      7.77978356    -15.10688877
  H     15.75545481      9.68351944    -14.95543213
  H     21.35317897      6.90228782    -13.01032068
  O     19.76190159      9.36027905    -11.16180261
  H     14.83311416     10.16910013    -16.10298751
  H     14.82663732      7.68452112    -15.20952172
  O     14.42639427     11.91175738     -7.10453275
  H     17.25285425      4.86402799    -15.98377095
  H     14.60997574      6.66976673    -14.06536708
  O     12.74562341      7.58551508    -10.22158782
  H     16.46059047      5.96543529    -15.23966774
  H     16.78644393      4.87292899    -11.46315083
  O     17.25792617      9.62262809    -14.02767548
  H     14.07076335      9.78184776    -13.62183747
  H     15.29496722      5.25112072    -11.35901934
  O     20.43786155      7.11153405    -12.84158188
  H     13.93798670      8.72889377    -12.51041060
  H     18.91758105     10.72198251    -11.83976064
  O     14.95873548      6.76220287    -14.96287145
  H     17.18025241      8.09886145    -11.06748670
  H     18.89809677     12.22519178    -12.21111778
  O     16.01559319      4.82663304    -10.88092731
  H     17.29773959      7.03704936    -12.19031368
  H     13.70232728      6.97658870    -11.51877315
  O     18.37886227     11.42647900    -12.24398932
  H     19.00770200      5.88797620    -12.60850123
  H     15.18275673      7.20351650    -12.02352124
  O     14.32495355      6.80620338    -12.24437824
  H     17.89134655      5.38805656    -13.56785968
  H     15.65853340     10.81077116     -7.97681118
  O     16.07390632     10.18539777     -8.58264902
  H     17.36576532      9.00200131     -8.98346260
  H     15.93558577     10.53324198     -9.47631775
          69
 Energy    -248.40567371084239     
  O     11.13403855     10.40717075    -11.49769848
  H     10.59159884      9.89594113    -12.11128654
  H     17.91990285      7.69130605    -16.60159816
  O     13.79513374      7.37384342    -15.07375325
  H     11.75600894     10.90165069    -12.04634251
  H     14.29360701     11.75609113    -16.06745229
  O     17.65099472     10.67708524    -10.93422430
  H     14.17125496      6.87811409    -15.81063214
  H     15.65703130     11.95694440    -15.38082200
  O     17.91413023      9.33571387    -17.60805699
  H     14.48031992      7.99760041    -14.78053040
  H     16.17030299      9.71155138    -14.70794507
  O     11.91421042      9.34588607    -15.08734027
  H     17.75869182     11.41093665    -10.33485886
  H     15.47859427      9.51266106    -13.33776797
  O     13.73380613      6.07388212    -12.63077748
  H     16.72215125     10.68516340    -11.22409653
  H     11.65713149      9.29079883    -10.25425221
  O     15.07236538     10.36278454    -11.77088275
  H     16.98604090      9.23389234    -17.88937895
  H     11.53795935      8.75864337     -8.80563994
  O     15.30892276      8.92716168    -18.17892291
  H     18.42870839      9.48882569    -18.39594452
  H     11.35283235      7.24291843    -10.94508013
  O     16.21319090      4.87330462    -12.87969913
  H     11.13235645      9.09077325    -14.58302602
  H     11.98576681      6.37331952    -12.05048321
  O     17.27166480     10.96698723    -15.42731944
  H     12.50857402      8.57938578    -15.09627631
  H     18.57911882     10.31391738    -12.53950776
  O     15.21871271      6.24201509    -17.17233748
  H     14.52452869      5.51795467    -12.65718835
  H     18.75368693      9.06542138    -13.41338993
  O     17.68382446      6.84677187    -16.19657758
  H     13.67309155      6.48841070    -13.50291706
  H     17.64937782      7.38624038    -12.39415137
  O     14.73081099     12.22994530    -15.34978033
  H     14.31913676     10.75854015    -12.22999864
  H     16.94951120      7.87535648    -13.68306692
  O     15.69725691      9.06693612    -14.16584754
  H     14.78188106      9.54197794    -11.34632157
  H     16.36076428      7.77361089    -10.54264725
  O     11.92405174      8.56939099     -9.65637264
  H     14.57609301      9.46403079    -17.85421857
  H     17.54044628      8.76289695    -10.61197277
  O     11.15049354      6.76063093    -11.75602614
  H     15.12891394      8.01381870    -17.92502017
  H     12.59023600     11.02329649    -17.77996670
  O     18.89445519     10.01728414    -13.40372057
  H     16.76793095      4.29913205    -12.35558331
  H     12.66877174     10.17067139    -16.49629110
  O     17.65093667      7.28800648    -13.35986392
  H     16.76503230      5.63539912    -13.10561033
  H     14.22220413      7.26783533    -11.34180737
  O     17.31235916      7.82935241    -10.70212926
  H     17.92077923     10.77189126    -14.73432080
  H     13.63795622      8.10462316    -10.17386393
  O     13.20288144     10.58351492    -17.19418443
  H     17.57224357     10.51584304    -16.22651005
  H     12.65203047     10.61157043    -13.92008629
  O     14.45031188      7.91698904    -10.66114897
  H     15.22146642      5.39491408    -17.60934372
  H     13.63707118     11.79213634    -13.97321954
  O     13.04802247     11.30598284    -13.37660507
  H     16.11465935      6.37639092    -16.81357614
  H      8.96484565      8.34133455    -13.41466357
  O      9.88608332      8.56988825    -13.32596907
  H     17.86354268      6.92403372    -15.25284488
  H     10.30409180      7.85834166    -12.80749330
          69
 Energy    -248.40564065313001     
  O     12.20340589      4.94056089    -10.39237205
  H     12.71735985      4.71178693    -11.17998586
  H     14.14499580     11.78362490    -11.43694894
  O     14.85235899      9.64132767    -16.21664418
  H     11.63509169      5.67994842    -10.64060499
  H     13.55776772     10.97171921    -13.42779047
  O     18.00390915      7.65252506    -14.17632979
  H     14.28926255      9.91034934    -15.46952350
  H     13.94522510      9.47410550    -13.42023669
  O     17.39700614     10.46918836    -10.39663389
  H     14.45883996     10.00071030    -17.00720721
  H     17.43696304      8.78634413    -11.08767949
  O     11.35796511      8.23022311    -13.47112038
  H     18.49029858      6.81968670    -14.23488091
  H     17.70959344      7.91034704    -12.36696128
  O     15.46240685      2.70790853    -13.96995416
  H     17.12461846      7.46727995    -14.53247040
  H     15.64387769      8.15244148    -12.21031677
  O     12.71451913      6.05523983    -14.52189423
  H     17.26557118     11.00875329    -11.19929760
  H     14.16858975      8.05429405    -11.78247412
  O     16.13003016      5.49316603    -10.81923644
  H     18.03246212     10.92914935     -9.85520826
  H     19.84208057      4.63767583    -14.44744295
  O     14.53702439     10.75791688    -10.09022030
  H     11.91760564      8.98378503    -13.68564763
  H     18.57412127      4.56764147    -13.56236674
  O     16.47553072      4.60528386    -15.63080574
  H     11.76041843      7.45982980    -13.90123686
  H     16.55755329     10.16114457    -15.42818845
  O     16.85168573     11.86467695    -12.61627897
  H     15.24546605      1.90200427    -14.43019494
  H     17.73283089      9.48719640    -14.69018805
  O     14.01450524     12.30321849    -12.25171532
  H     15.77882646      3.34056866    -14.64007149
  H     15.18760670      7.93564591    -15.61999254
  O     13.46568090     10.14955565    -13.92542258
  H     13.08386022      5.53624436    -13.79306288
  H     15.03581525      7.34440385    -14.18633120
  O     17.29429601      7.92130230    -11.49353724
  H     13.47957899      6.32689115    -15.03697644
  H     17.17938159      4.26692133    -11.72578515
  O     14.74256224      8.12130541    -12.55578471
  H     15.58788770      5.58620493    -10.02701773
  H     16.93911721      3.20972845    -12.82154983
  O     18.99175806      5.04359789    -14.30309137
  H     16.57474268      6.33935074    -10.96987344
  H      9.92706641      7.60028168    -10.73996222
  O     17.32458744     10.34219381    -14.87341451
  H     15.48810806     10.60126610    -10.05637060
  H     10.95773616      7.70580332    -11.88863753
  O     15.34283031      7.14510578    -15.08546142
  H     14.10928645      9.89385461    -10.02483243
  H     14.40262001      3.85960994    -12.97571010
  O     17.63227634      3.70950625    -12.37339549
  H     17.38537210      4.74162155    -15.33847647
  H     14.74216155      5.00259560    -11.99221524
  O     10.82921185      7.39901974    -10.97233815
  H     16.03449428      5.45910737    -15.53420590
  H     14.12295437      5.53973553     -7.89122318
  O     14.01943961      4.60488561    -12.49609093
  H     17.03755429     11.39422677    -13.44255040
  H     13.44593589      5.43414982     -9.28202656
  O     14.18550639      5.84110735     -8.79323483
  H     15.92152631     12.11392791    -12.63356702
  H     13.69554847      7.47529085     -9.57636613
  O     13.36822825      8.19915087    -10.12443444
  H     13.62816974     13.13411627    -11.98932330
  H     12.44530229      8.00049955    -10.33254787
          69
 Energy    -248.40558485574974     
  O      2.82320150     -0.94735579      1.02408916
  H      2.62443401     -0.18982993      1.59002943
  H      7.13210821      0.88702305      1.38202503
  O      8.50528571      3.58039231      1.40230762
  H      2.38838996     -0.75799787      0.17841293
  H      5.57655719     -1.57317143     -2.19966480
  O      2.37844961      1.40335211      2.51630309
  H      9.32317198      3.84208104      1.81823893
  H      6.98482566     -1.33197855     -2.75622420
  O      6.61479176     -3.22474578      1.37280718
  H      8.35495677      2.65077028      1.64237974
  H      4.25761484      5.04100350     -1.08872062
  O      5.39523998      1.31364120     -3.62053706
  H      3.13737067      1.75113376      3.02161011
  H      4.37895800      3.94408760     -0.01977081
  O      8.77897790     -0.88132505     -1.96097670
  H      1.58956564      1.70088924      2.96037071
  H      3.09758102      5.58308103     -3.42029428
  O      3.75757984      2.31373942      0.26583813
  H      6.94516879     -4.11374490      1.46547584
  H      4.35024452      4.69155804     -3.25499964
  O      7.59635047      1.57018669     -1.99906460
  H      7.38385440     -2.65046754      1.20420580
  H      5.66318344     -0.20413390     -0.10281548
  O      1.83671368     -0.30902462     -1.50088326
  H      5.53556168      0.35710855     -3.54578120
  H      6.49765824      0.98628938     -0.66469132
  O      5.94576765      4.11873807     -3.71124627
  H      4.54308268      1.50985176     -3.20905512
  H      5.48201656     -2.23004425      2.49470679
  O      4.54531218      2.39131462      3.72324743
  H      8.47160792      0.04145294     -1.98770140
  H      4.15531537     -1.45013034      2.37920516
  O      7.85047926      0.97968471      2.02853287
  H      9.55231264     -0.92655841     -2.51851768
  H      7.84751597      4.06104235     -0.30209210
  O      6.05186785     -1.28691840     -2.99233088
  H      4.53606339      1.73730373      0.28788650
  H      6.44562716      4.41238896     -0.84044919
  O      4.74359315      4.80153622     -0.29216097
  H      3.19801263      2.07513419      1.01261775
  H      8.52254001     -0.65215466      1.25769881
  O      3.47460594      4.89444672     -2.87931986
  H      7.61413357      2.48983465     -1.70303797
  H      8.72520947     -1.31810912     -0.12757561
  O      5.95418806      0.69823048      0.08025259
  H      6.86528504      1.48667231     -2.63043699
  H      2.96459677      3.03386078     -2.63779252
  O      4.91331575     -1.59924732      2.95504500
  H      1.61660637     -0.87586422     -2.23727234
  H      3.23913345      2.15746193     -1.40584124
  O      7.33696173      4.15276171     -1.11670161
  H      2.14918367      0.51999501     -1.89168675
  H      5.51275074     -2.45728261      0.09318603
  O      8.61753049     -1.50383604      0.81409825
  H      5.84240521      3.16922044     -3.86128334
  H      4.18407303     -1.64773926      0.01138641
  O      3.00039670      2.11577251     -2.34614717
  H      6.57814004      4.21455125     -2.98985831
  H      5.46983210      4.74981735      1.52679362
  O      4.99044516     -1.87390612     -0.47236160
  H      5.00680265      3.11882733      3.28152926
  H      6.79400403      4.20215115      2.08130260
  O      5.88337946      4.40226767      2.32577219
  H      5.21162338      1.74555192      3.98216263
  H      5.81565895     -0.41117661      3.84244608
  O      6.36605917      0.26227811      4.28233397
  H      7.46415002      0.76567306      2.88743410
  H      6.52490899     -0.04880963      5.16943243
          69
 Energy    -248.40543811923118     
  O     -3.18783207      3.37638365      3.80899979
  H     -4.13663232      3.19682239      3.78622708
  H     -2.50550080      2.97865552      0.30774039
  O      0.13721773      4.89981626      1.43968953
  H     -2.98785450      3.77377475      2.94740266
  H     -6.38541692      3.71391473      1.80256052
  O     -0.46383492     -0.28478907      2.92953141
  H      0.80102715      5.53502036      1.18579789
  H     -6.93393995      3.48844279      0.38552647
  O     -2.25638028     -2.04230758     -0.36238684
  H      0.48608482      4.02071900      1.20544901
  H      1.31324212      2.08637425      1.91646107
  O     -4.11978092      0.80297149      1.58428562
  H     -0.53347093     -0.05585488      1.99077500
  H      0.60817558      1.65263075      0.61497790
  O     -5.77119110      2.49920415      3.05255946
  H      0.22639688      0.27636571      3.30337180
  H     -3.20124506      4.98235261      0.79094067
  O     -7.27217684     -0.19510752      0.81358420
  H     -2.28315298     -2.55057722     -1.16964068
  H     -1.69469217      4.80399253      1.25695940
  O     -2.83392448      0.60844659      4.04167336
  H     -3.17888886     -1.90984622     -0.08916869
  H     -5.38415689      5.11575005      0.25546434
  O     -4.69719918      3.04060766     -1.75184272
  H     -3.57515408      1.27396067      0.94115292
  H     -4.95413563      6.39051442     -0.51025563
  O     -4.80368280     -1.68234533      0.72283710
  H     -3.60731782      0.68320925      2.39585008
  H     -4.30068611     -0.43091157      4.48555355
  O     -4.24870724     -3.25483063      3.02291224
  H     -5.24374852      1.96566801      2.43773130
  H     -4.83651847     -1.81850635      4.08095295
  O     -2.58910099      2.19217419     -0.24813827
  H     -6.42701781      1.88610601      3.40402209
  H     -0.21873506      4.29340911      3.27808106
  O     -6.62754642      4.17705579      0.98952690
  H     -6.55891102     -0.83168167      0.68688064
  H     -1.33045643      3.69854162      4.16912066
  O      1.08476765      2.38358260      1.02650799
  H     -7.35149716     -0.06556783      1.76708715
  H      2.03181139      1.72430533      4.43458053
  O     -2.59476443      4.46089882      1.33302718
  H     -2.82644239      1.57445362      4.07615923
  H      0.71814146      2.41281977      3.99045161
  O     -4.64485152      5.53588960     -0.22313078
  H     -1.96379793      0.30530438      3.74950340
  H     -8.05635976      0.04826331      4.26511873
  O     -5.09141950     -0.98735160      4.49915813
  H     -4.69835315      3.93532038     -1.39047651
  H     -6.55784272     -0.22453922      3.99479123
  O     -0.37272296      3.77744310      4.07880383
  H     -5.53163884      2.64022867     -1.47539748
  H     -1.73967551     -2.63532878      1.39977379
  O      1.32536715      1.67612135      3.79651778
  H     -4.60696997     -0.78459361      1.04160140
  H     -1.17464383     -2.00932510      2.68841478
  O     -7.34568882      0.24198015      3.66012116
  H     -4.74332638     -2.26967704      1.48730098
  H     -1.32986984      0.99447947     -0.02376117
  O     -1.66975667     -2.76807218      2.35332722
  H     -3.29597197     -3.12023189      2.87088007
  H     -1.11089336     -0.52843094     -0.08372299
  O     -0.69952398      0.29349076      0.20707654
  H     -4.36453117     -4.17618774      3.23884911
  H     -7.20949219      1.23203050     -0.21128048
  O     -7.19867640      2.02431416     -0.77501763
  H     -3.27220188      2.38880090     -0.90565330
  H     -7.94674989      1.94299752     -1.36171258
          69
 Energy    -248.40539681622789     
  O     -0.35139510      0.59043048     -2.09324630
  H      0.15498839      1.40853793     -2.22408277
  H     -1.81527812      0.10216708      2.87090648
  O      1.02536414      2.93891053     -2.10906989
  H      0.19507855     -0.16143135     -2.35003978
  H      0.10405225      0.11441007      2.05951841
  O      3.71404267      1.35391842      3.29744781
  H      1.96670232      2.80325355     -1.94403146
  H      0.33005670     -1.14996374      2.91652775
  O      0.69981214      0.84253905      0.55758609
  H      0.66415267      3.31539955     -1.29424703
  H      2.54030460     -1.31934734      1.76738456
  O     -2.97668703      0.92032741     -1.55029084
  H      3.52072029      0.63944657      2.66620911
  H      2.22469753      0.01969591      1.05897477
  O     -2.64248155      2.45372044      0.79050970
  H      4.55916853      1.15362212      3.69219979
  H     -2.67608947      3.69280581      2.26087451
  O      1.30743403     -1.62704516     -2.37134140
  H      0.30769981      0.56472206     -0.27758571
  H     -2.81548110      3.47743686      3.77689870
  O     -2.48906082     -1.20435733      0.31794054
  H      0.59374656      1.80234565      0.58764775
  H     -0.69288429      4.31520058      3.18986168
  O      3.74287915      2.42523695     -1.42632011
  H     -2.04495635      0.81170225     -1.81378485
  H      0.55724017      3.44872659      3.52481012
  O      3.60129399      3.25141705      1.13506471
  H     -3.48619877      0.97563272     -2.35398889
  H      0.66633703      1.07041619      3.86204938
  O     -0.06056644     -2.52824425      0.01698389
  H     -2.66223837      1.73936394      1.44393582
  H      2.04391501      1.74192203      4.06090774
  O     -2.72289960      0.39607466      2.70052022
  H     -2.87129286      2.04519728     -0.05307756
  H     -2.36494549      2.09546065      5.47225867
  O     -0.07288904     -0.27467621      2.93205737
  H      2.12149078     -1.21142953     -2.03430312
  H     -3.90020119      1.99880145      5.62587726
  O      2.94705053     -0.50712679      1.43969953
  H      1.56753556     -2.20042389     -3.08714832
  H     -0.05349923      2.15031431      5.62472906
  O     -2.47830876      4.09456459      3.11695924
  H     -2.76619113     -0.57188250     -0.35526903
  H     -0.47820277      3.06948706      6.77742799
  O      0.27217967      4.27631049      3.11707046
  H     -2.71241692     -0.79343001      1.16148395
  H      3.59465357      0.55914321     -1.43771429
  O      1.10665158      1.83053174      4.27043768
  H      3.69893803      2.72828278     -0.50106114
  H      3.49931387     -0.54912366     -0.37485553
  O     -3.19904840      2.01318276      4.97929087
  H      4.46859529      2.89347024     -1.83110025
  H      0.14297619      3.87404857      1.28699660
  O     -0.78257576      2.34612993      6.23364495
  H      3.27768080      4.10194040      1.46280138
  H     -0.99168310      3.18437441      0.49214903
  O      3.48073164     -0.39396436     -1.32749716
  H      3.68838666      2.67916788      1.90385984
  H      1.37136040     -3.53726404      2.61831505
  O     -0.07562857      3.49267082      0.42871081
  H     -0.93089545     -2.10596652      0.07447941
  H      0.81711189     -2.66564211      1.46285821
  O      1.32173567     -2.64131381      2.29923260
  H      0.33393843     -2.27986476     -0.82517214
  H      1.70765653      5.22695116      2.61440368
  O      2.51843134      5.57713547      2.21087866
  H     -3.00393314      0.86660890      3.49418940
  H      2.29696825      6.45087654      1.89780573
          69
 Energy    -248.40513304484114     
  O     13.07832184     11.54219285    -10.38026899
  H     13.34985934     12.39781432    -10.74271394
  H     11.04904561     14.41424043    -12.62743194
  O     11.09862413     12.77978023    -15.07359734
  H     13.11100050     10.90251233    -11.10623058
  H     15.91805203     13.53438578    -17.89151478
  O     13.23093624      9.67249939    -12.48905620
  H     11.39106802     13.39732184    -14.38904464
  H     17.28385838     14.20522894    -18.18717583
  O     18.35555230     11.14505738    -13.93304303
  H     10.29677143     12.35583124    -14.74176091
  H     14.26991386     13.34521169    -12.35469984
  O     10.41601720     11.63432652     -9.84168338
  H     14.18816479      9.56637711    -12.43257153
  H     14.85490326     14.10478982    -11.14273769
  O     10.37443598      9.87120965    -12.09727474
  H     13.06246629      9.97358460    -13.39571709
  H     13.24326583     16.92183821    -14.93970748
  O     12.94814770     10.74155392    -15.02329387
  H     19.29337901     10.98527202    -13.86961949
  H     12.82929741     15.58699469    -14.28740569
  O     16.62362024     13.95431180    -10.47664993
  H     18.20452214     12.05169172    -13.60978968
  H     15.16845362     13.08264311    -14.29137050
  O      8.98815758     11.49727287    -13.77978147
  H     10.21034949     11.51464698     -8.91832298
  H     14.11820785     11.91140944    -14.28883066
  O     15.91362660     14.60875541    -14.95810476
  H     11.38611250     11.62734009     -9.91728722
  H     17.00568314     12.07159086    -16.73353860
  O     14.41709180     12.90180090    -18.40307470
  H     10.31741478     10.36117233    -11.26664256
  H     17.40110321     11.13229052    -15.56551747
  O     11.86417960     14.66471334    -13.08704696
  H     11.30115469      9.62663341    -12.20337654
  H     12.79048184     14.93113943    -16.45402241
  O     16.75910441     13.82343416    -17.48959216
  H     12.26002142     11.40514926    -15.17096858
  H     11.85379935     13.71915545    -16.50933472
  O     14.02531717     13.87121497    -11.57381297
  H     13.38410827     10.53801087    -15.86057301
  H     14.63730944      9.46559090    -17.78583671
  O     13.41941816     15.98373143    -14.94980728
  H     17.04445170     14.36333475     -9.72518667
  H     15.38354114     10.51686983    -16.92858586
  O     14.72823038     12.42175144    -13.74240320
  H     16.44719411     13.02814627    -10.23067188
  H     15.57555898     11.05130511    -12.93068710
  O     16.89328270     11.17933488    -16.38366873
  H      9.46989036     10.84946483    -13.23483813
  H     16.90639805     10.30988085    -12.95431694
  O     12.44625790     14.25703346    -17.05054986
  H      8.16277039     11.09022769    -14.02788934
  H      9.28682698     12.93847965    -12.51002882
  O     14.50814900     10.25769215    -17.27088444
  H     15.11948748     15.15610176    -14.99139681
  H      9.88295285     12.98924857    -11.09854623
  O     16.03483299     10.28847392    -12.54434082
  H     16.20580757     14.44060391    -15.86437273
  H     17.22411443     14.13075779    -13.69105470
  O      9.67756857     13.53969274    -11.86429424
  H     14.32473880     11.98112959    -18.13457922
  H     17.45158088     13.81750432    -12.19311589
  O     17.81126620     13.67143229    -13.07608676
  H     13.67775277     13.38469121    -18.00257774
  H     14.96639045     11.34339786     -9.83982986
  O     15.92227631     11.37713023     -9.96325203
  H     12.59326572     14.46515517    -12.48244228
  H     16.08417301     10.90309198    -10.79142240
          69
 Energy    -248.40486797740067     
  O     15.93372749      5.09193289    -16.22912216
  H     15.99372079      6.05092079    -16.32862881
  H     17.79611217     12.05773081    -14.21983617
  O     18.00175918      6.06140706    -10.00149155
  H     15.06287837      4.93112966    -15.84609342
  H     16.78790794     10.95275570    -16.05948928
  O     13.99934260     11.47103751     -9.71256595
  H     18.74463736      5.57926575     -9.64531086
  H     16.10784663     11.13367815    -17.43759047
  O     19.74192022      9.57458868    -13.73750741
  H     17.93802332      5.82005803    -10.94166328
  H     16.58090639      9.09959804    -11.21161321
  O     17.89350071      3.82994766    -14.79307412
  H     13.26834774     12.06766930     -9.57308715
  H     15.67699535     10.01859348    -12.10671188
  O     15.30663501      5.17548125     -9.55441146
  H     14.25478128     11.57787638    -10.64209764
  H     12.80415416      4.24630993    -14.74895966
  O     13.79906860      7.58689170    -11.77625201
  H     19.02697691      8.91957718    -13.81734900
  H     13.94808420      4.86999064    -13.91726558
  O     18.91834834     10.91826132    -11.33929416
  H     20.54444878      9.14355758    -14.01930847
  H     14.68958483      8.59903625     -8.60773757
  O     13.51121388      7.14334398     -9.00331544
  H     17.22450039      4.24641339    -15.36368570
  H     14.86795561     10.10678592     -8.87561430
  O     15.83512139      7.90282398    -16.03305716
  H     18.23150163      3.08523594    -15.28184772
  H     15.80932723      5.19636780    -12.53219522
  O     17.64346199      5.48895627    -12.65355431
  H     16.22572396      5.46955433     -9.56986762
  H     14.50042159      5.96145554    -12.16330555
  O     18.02222779     11.50007477    -14.97438410
  H     15.10570067      4.90569953    -10.45910339
  H     17.70742562     13.69763967    -12.24476873
  O     16.07030744     10.62624060    -16.63136931
  H     13.53095621      7.52758432    -10.85230468
  H     17.95630800     12.18444581    -12.03907949
  O     16.02954154      9.12543407    -12.00524471
  H     14.58860786      8.14993148    -11.80194183
  H     17.84804774      7.95072408     -9.79291934
  O     13.47829748      4.92078801    -14.76760343
  H     18.59095116     10.26057022    -10.71159625
  H     16.91183207      9.06786018     -9.22815863
  O     15.32324497      9.32165632     -8.53797520
  H     19.31199046     10.42957863    -12.07268006
  H     14.52271285     11.39050812    -13.18034055
  O     14.85869756      5.08968885    -12.39199974
  H     12.83500904      6.84767488     -8.39978039
  H     15.70984432     12.15201693    -12.47089779
  O     17.42877089     12.83455605    -12.53875862
  H     14.14006752      6.40669159     -9.10440594
  H     13.28965384      6.85660870    -14.76673696
  O     17.67904249      8.89971528     -9.80144881
  H     15.93809451      8.79973589    -16.37527779
  H     13.46996413      7.79346793    -13.56550850
  O     14.90583278     11.63743071    -12.32472449
  H     15.01365377      7.89177480    -15.52032435
  H     13.62765134      9.73679162    -14.69855954
  O     13.45554853      7.77825481    -14.53370978
  H     17.67445465      6.34792874    -13.09909605
  H     14.61217814     10.69047709    -15.40456057
  O     13.95781507     10.64258770    -14.69664562
  H     17.82618953      4.81915312    -13.32886714
  H     17.05432689      7.88009466    -14.70228710
  O     17.57017727      7.94440407    -13.88853561
  H     18.69442177     10.88868628    -14.65084032
  H     17.01347485      8.40441836    -13.23995760
          69
 Energy    -248.40477743326335     
  O     16.38445812     10.63781305     -9.97998532
  H     16.77776669      9.83461244     -9.62228382
  H     15.82102600      4.68438084    -14.71394705
  O     14.72540420      7.89726801    -15.40753631
  H     16.67178533     10.66844772    -10.90444547
  H     19.08667805      7.08447510    -12.11787163
  O     14.34349616      4.75407994    -11.60288821
  H     13.94412645      8.09244065    -14.86919643
  H     19.46423862      8.57761102    -12.12037878
  O     18.32717650      5.90898617    -13.38403206
  H     14.81453671      6.94159993    -15.49560602
  H     15.80232322      7.87522110    -13.93403314
  O     10.95111075      6.72467795    -11.18150749
  H     14.65945592      5.57460714    -11.20005758
  H     17.03108733      7.22118849    -13.22516636
  O     12.70829295      8.82116398    -13.75359739
  H     13.55042908      4.48620869    -11.11554273
  H     13.53590267     12.06818633    -10.12534472
  O     15.28838942      7.18632155    -10.67608494
  H     18.39297825      5.98089865    -14.34586698
  H     14.74337369     11.12230785    -10.32922610
  O     18.29719444      8.94910371    -15.76446858
  H     17.76772792      5.14302827    -13.19961546
  H     13.40875341      5.02041635    -13.23004430
  O     10.85115380      6.75465002    -14.05782823
  H     11.56169007      7.45344987    -11.00779780
  H     13.74742090      5.05094503    -14.73147344
  O     18.07293331      6.30228110    -16.16283873
  H     10.77801994      6.74366575    -12.13011502
  H     13.71763903     10.46097942    -13.75227138
  O     15.88760765     10.34585856    -15.98507794
  H     11.95475133      8.25324368    -13.95798461
  H     14.08646035     11.40850776    -12.60592458
  O     15.53933490      5.19297836    -15.48587837
  H     12.83284697      8.75490320    -12.79586221
  H     15.68277901      4.11908583    -12.51975427
  O     19.26286144      7.83612786    -11.53699576
  H     16.00990924      7.41614963    -10.07987012
  H     16.50617267      2.91234573    -13.02517438
  O     16.29674837      7.83552213    -13.10616530
  H     15.59278447      7.43482135    -11.56433217
  H     11.55057216      5.17201962    -10.58952116
  O     13.85748434     11.35024089    -10.66425504
  H     18.79823276      9.30366638    -15.02282172
  H     11.40075732      3.92808246     -9.69533915
  O     13.01925341      5.13328879    -14.10706494
  H     17.52735758      9.52509247    -15.87946082
  H     20.04803692     10.81407970    -13.35938384
  O     14.30487039     11.19346403    -13.52200178
  H     10.17531616      6.44642578    -14.65485770
  H     18.58865527     10.35299215    -13.13725860
  O     16.40918646      3.85730421    -13.11206310
  H     11.59219958      6.12389128    -14.11855954
  H     13.76224469      8.16982799    -10.76353803
  O     11.97989885      4.33794459    -10.33109268
  H     18.61703231      6.06932892    -16.91029836
  H     13.18052994      9.61116350    -10.78403423
  O     19.48319235     10.04520426    -13.36678479
  H     18.13233880      7.27132036    -16.06872508
  H     18.22729603      8.01672245    -10.12513828
  O     12.97545755      8.68933524    -10.98139640
  H     15.41188470     10.90189041    -15.36301313
  H     18.09581048      7.85734319     -8.59442409
  O     17.61094636      8.10690469     -9.37665854
  H     15.43738343      9.48791724    -15.94379149
  H     16.75464770      9.52635015    -12.80621020
  O     16.88416921     10.48323550    -12.70963788
  H     16.35483691      5.54898605    -15.86391594
  H     16.07976133     10.87656559    -13.06934319
          69
 Energy    -248.40475601642487     
  O     14.82305657     10.02484957    -10.77148006
  H     14.66547157     10.58302264    -11.54377783
  H     16.93859175      4.18534362    -12.25951705
  O     13.84682743      9.70643472    -16.45435381
  H     15.63460222     10.30745381    -10.33017261
  H     12.32283938      8.23226201    -10.17891793
  O     16.97108509     10.63626099    -14.05173181
  H     13.90102721     10.66350221    -16.34272437
  H     13.54166968      9.11975649     -9.86898392
  O     12.80598999      5.49891832    -12.30985561
  H     13.29344259      9.39706252    -15.72706043
  H     18.42892684      6.92025676    -13.90041110
  O     17.14332637      7.79362552     -8.59341495
  H     17.58917838     10.55650817    -13.31089692
  H     17.63943890      7.24447338    -15.19720287
  O     16.84500939     12.53369418    -16.03503286
  H     16.08602988     10.77672466    -13.69037440
  H     15.09598296     12.58849489    -15.90117780
  O     15.76759149      7.60219616    -11.81523648
  H     13.42622121      5.34595523    -11.58179722
  H     13.71739651     13.27638896    -16.04133723
  O     14.30575065     11.06876267    -13.27616368
  H     13.35044323      5.69164157    -13.07960478
  H     12.26763131      8.50927169    -13.18814702
  O     18.50888529      7.45898072    -12.12331970
  H     16.28442196      7.43336208     -8.34236544
  H     13.41908200      7.95394724    -14.05222814
  O     18.59768644     10.23767460    -11.91257493
  H     17.64990391      7.07509575     -8.99019131
  H     10.40748812      7.53240378    -11.73269311
  O     16.56871389      4.49247684    -14.12853065
  H     17.57074058     12.48556796    -16.65165688
  H     11.78987701      6.86105105    -11.91899566
  O     17.05277411      4.11958930    -11.30475632
  H     17.03816913     11.88398561    -15.33861332
  H     14.11576135      6.73101806     -7.11129331
  O     12.93039207      8.48112844     -9.47394372
  H     15.39561994      8.43528599    -11.49871771
  H     13.88888285      7.44875752     -8.46392235
  O     18.16877435      6.56487851    -14.76254840
  H     15.35714210      7.37397191    -12.65744519
  H     15.18931343      6.20610265    -10.82338634
  O     14.14480304     12.48663373    -15.72108491
  H     13.79730266     10.26994831    -13.48206641
  H     14.64574562      5.73333143     -9.46185165
  O     12.88278758      8.74143758    -13.89522128
  H     14.16396162     11.67805161    -14.01075035
  H     18.15804641      5.10950823    -10.38506919
  O     11.34416056      7.71160145    -11.75356709
  H     18.79756551      6.89378477    -11.39805061
  H     19.40907473      5.24220161     -9.48612854
  O     14.49005327      6.85346840     -7.97920072
  H     17.54820328      7.54265250    -12.01354661
  H     15.23365930      7.22866974    -14.78289594
  O     14.80589057      5.44041730    -10.36619318
  H     18.21482370     10.37068234    -11.03761052
  H     15.26399124      5.79186778    -14.20927972
  O     18.70949382      5.74507372     -9.89452170
  H     18.74527210      9.28439269    -11.98921890
  H     17.24174869      9.45082829     -9.09635803
  O     14.73137868      6.59869204    -14.24098147
  H     17.22605476      5.16369181    -14.39044965
  H     17.49182948     10.91592037     -8.66519862
  O     17.23487214     10.37477583     -9.40689041
  H     16.67040934      3.75599455    -14.72615216
  H     15.45095527      8.87272726    -16.08560146
  O     16.19335751      8.47939931    -15.60478027
  H     16.21037921      4.40196231    -10.91990906
  H     16.56030558      9.19115576    -15.06082677
          69
 Energy    -248.40456425021722     
  O      1.84225191      0.01799284      0.56075036
  H      2.35702789      0.81376330      0.72795790
  H      6.87408784      0.66846710      1.30611776
  O      8.72340398      3.21857636      1.33756708
  H      1.67664486     -0.00209493     -0.39386808
  H      4.05042529     -2.03535012     -3.75343979
  O      6.79364624     -3.30247946      0.94602817
  H      9.61843842      3.24770153      1.66592214
  H      4.35253125     -1.66759756     -2.28556419
  O      4.94979782      1.37474865     -3.51210624
  H      8.36156206      2.35103724      1.58728538
  H      4.53491760      5.02335013     -0.75787646
  O      9.37760347     -0.59128874     -1.64649136
  H      7.16336258     -4.17284932      1.06483163
  H      4.54809189      3.83692615      0.23907009
  O      3.73956779      2.19569549      0.63942307
  H      7.54349253     -2.68000013      0.92197840
  H      3.45997213      6.07095646     -2.93100435
  O      7.30485356      1.17546764     -2.10687394
  H      4.69355619      0.44411346     -3.53351964
  H      4.54150935      4.96061141     -2.94947253
  O      1.70227087      0.08631057     -2.20545882
  H      4.25960645      1.82172302     -3.00043786
  H      5.34678468     -0.52103603     -0.17144142
  O      5.95005541      4.10292278     -3.56991264
  H      8.67098678      0.02951443     -1.88443519
  H      6.24659495      0.60530276     -0.76188626
  O      2.76679857     -2.35292562      1.34702565
  H     10.04781372     -0.49719667     -2.31849237
  H      5.74335174     -2.45789685      2.32158919
  O      4.48109720      2.57323397      3.19553079
  H      4.41104071      1.54720501      0.37673158
  H      4.25954812     -2.08431337      2.47130448
  O      7.55024169      0.82996438      1.98094076
  H      3.86770488      2.35547865      1.58884542
  H      8.01368105      3.63349168     -0.34419545
  O      4.08598461     -1.30116536     -3.14439594
  H      7.43178272      2.07329464     -1.76660106
  H      6.59177205      4.06458816     -0.74268773
  O      5.02195230      4.63912884     -0.01940973
  H      6.54334674      1.20317684     -2.70262220
  H      8.49227070     -0.68927914      1.35770321
  O      3.76097728      5.29281850     -2.47035400
  H      2.42116070     -0.42629226     -2.59172525
  H      9.06143871     -1.22006447      0.01867940
  O      5.67688837      0.37139099     -0.01649780
  H      1.96582572      1.01264646     -2.29150806
  H      3.03037969      3.56829759     -2.20595662
  O      5.12613383     -1.97190230      2.88087710
  H      5.70702378      3.19156905     -3.77404645
  H      3.10651333      2.50475888     -1.07927325
  O      7.42671718      3.73328885     -1.10454663
  H      6.62093299      4.05408072     -2.87726945
  H      5.50291065     -2.67851290     -0.20462300
  O      8.76750167     -1.49278633      0.90001980
  H      2.04010274     -2.93658563      1.54541566
  H      4.00475492     -2.32847567     -0.01838588
  O      2.92939639      2.62679699     -2.02237172
  H      2.37944152     -1.48565543      1.12541914
  H      5.92354729      4.78648204      1.68393525
  O      4.75554759     -2.22658200     -0.61992345
  H      5.15836445      3.25962782      3.10034728
  H      7.22905389      4.16257320      2.19207307
  O      6.37812510      4.50437937      2.48832675
  H      4.91170877      1.81475847      3.60494348
  H      5.59742431     -0.54105595      3.74863200
  O      5.91651415      0.27468513      4.17489642
  H      7.11212274      0.69873375      2.83114911
  H      6.01894718      0.07788927      5.10216661
          69
 Energy    -248.40453346257164     
  O     18.13314008      9.18643182    -10.55701302
  H     17.79452338      8.38689825    -10.13523967
  H     19.60513208     10.33798659     -7.93804020
  O     14.11416660      9.77477783    -10.53122951
  H     17.43596686      9.56509498    -11.10795229
  H     20.13098022      9.90806141    -12.86168787
  O     21.63445486      7.05837523    -11.83260853
  H     13.24401831     10.16734141    -10.53930187
  H     19.31342619      9.04605791    -11.86915163
  O     15.35373310     10.64566714     -8.22846323
  H     14.53817656     10.05746078     -9.70448320
  H     21.09010369      5.71124277    -13.11352879
  O     23.02380630      8.55912454     -9.90024717
  H     21.07779853      7.76855752    -12.18535114
  H     20.01925879      4.60757449    -13.13601374
  O     16.97707922      8.74176329     -7.22371261
  H     22.25761018      7.48678008    -11.23297468
  H     17.28637447      4.75851443    -11.55297035
  O     21.13789350      7.42902929     -8.07217495
  H     14.96081968     11.08935026     -7.48049461
  H     18.14166053      5.57542214    -12.54640487
  O     19.70368760      9.12015543     -6.52645309
  H     15.94862217      9.96676086     -7.86170180
  H     16.12645555      9.51149457    -13.01964024
  O     17.43026756      6.85242949     -9.20850223
  H     23.94833319      8.72198284     -9.73457810
  H     15.42223265     10.15874973    -11.79538067
  O     17.35902149     12.51146933     -9.31705337
  H     22.61448395      9.42447683    -10.08447148
  H     15.62935083      7.93221241    -14.96390551
  O     17.97931475     12.38067907    -12.03491498
  H     17.06763643      7.99422146     -7.83084056
  H     16.82003355      7.55801788    -14.05319632
  O     19.51401628     10.82080781     -8.76758987
  H     17.86177843      8.89350100     -6.87045619
  H     21.45153015     11.24976669    -11.20297156
  O     19.84917338      9.00494299    -12.67635257
  H     20.71271925      6.75123030     -8.61130709
  H     21.04710244     10.97414117     -9.74376832
  O     20.55435351      5.16698217    -13.70784854
  H     21.82720882      7.81541267     -8.62687534
  H     14.94207501      7.41414370    -12.55539937
  O     18.15760959      4.80293539    -11.96588985
  H     20.22125361      8.47460340     -7.04136354
  H     14.34554744      8.00808579    -11.25732987
  O     16.21164696     10.20138182    -12.35025565
  H     20.13187254      9.20038149     -5.67864798
  H     19.15580115      6.33351519    -14.08277917
  O     15.93563916      7.96313179    -14.06098029
  H     16.79975886      6.22530319     -9.58094015
  H     18.90541261      7.74642500    -13.52360468
  O     21.78638797     10.91102682    -10.36542236
  H     18.31500004      6.50438149     -9.39020789
  H     20.79462225     12.35734735    -13.43230894
  O     14.52190608      7.17981653    -11.71797024
  H     18.17193105     12.07831337     -9.01893078
  H     19.59831279     12.01802756    -12.51289826
  O     18.45346660      6.96581916    -13.87775150
  H     16.64699929     11.94852970     -8.99708157
  H     15.21456613      5.78728136    -10.98084502
  O     20.48593142     11.72464855    -12.78998017
  H     17.77327135     12.56776611    -11.10789083
  H     15.06837274      4.43285178    -10.24175137
  O     15.70985705      5.06436732    -10.55518529
  H     17.33338052     11.71771817    -12.30771437
  H     19.30544854      5.31492924    -10.63625798
  O     19.87405098      5.82613493    -10.04353124
  H     19.02398354     10.24371191     -9.37406373
  H     20.51591409      6.25855914    -10.62447757
          69
 Energy    -248.40450170640730     
  O     -0.51705290      4.78509011      0.93838283
  H      0.21893222      5.40114358      1.03192600
  H      1.28253426      6.83669599      2.34920623
  O      2.06936158      2.36148029      3.32847203
  H     -0.56274242      4.31819814      1.78794494
  H     -3.67857878      1.24644894     -0.04353074
  O     -2.22928226      1.26314595      3.16451400
  H      1.89963074      1.80676493      2.55431267
  H     -3.17045897      2.57133097      0.58364033
  O     -0.50244532      3.46614010      3.32601614
  H      2.03554554      1.79214862      4.10685688
  H     -0.27533409      6.87618866      4.24042095
  O      1.45491901      0.77105709      1.16676868
  H     -1.51176581      0.61426325      3.24298302
  H      0.30764854      8.30629138      4.28595925
  O      1.52525781      0.76821653      5.54666903
  H     -2.51610158      1.29245419      2.24384993
  H     -3.12812536      1.91271114      4.52118763
  O      1.78118144      3.19591847     -1.88405682
  H     -1.09017816      2.70265241      3.27269409
  H     -4.35271590      1.80369979      5.45441843
  O      3.50307719      4.63424095      2.95003423
  H      0.40003136      3.14021116      3.43328566
  H     -1.62075521      5.26526874      5.60133724
  O     -3.30139985      4.24548657      0.90866491
  H      0.78126642      1.25122366      0.66765096
  H     -1.06051329      4.88271460      4.22421550
  O      2.08435205      5.35430115      5.30520301
  H      2.29495679      0.94595622      0.71528343
  H     -2.53705729      3.33423517      6.36887832
  O     -0.02719451     -0.30059255      3.36052440
  H      2.08824570      0.32353974      6.17451346
  H     -2.35499437      3.95780405      7.77070067
  O      1.69131614      6.31629443      1.64736408
  H      1.24285633      1.60286867      5.96524620
  H      5.96098746      4.35298328      0.39774573
  O     -2.96487706      1.62444154      0.46259922
  H      1.61612783      3.10811446     -2.82001113
  H      4.45612997      4.61702949      0.15215719
  O      0.48710983      7.42050803      3.98053005
  H      0.99226791      2.85706722     -1.43146101
  H      2.57240574      5.86936849      0.01136790
  O     -3.60696004      2.35933526      5.24084702
  H      4.18136555      4.46372515      2.28658956
  H      2.57321119      4.77095663     -1.08893303
  O     -1.43881158      5.62454379      4.72536326
  H      3.03429284      3.79430356      3.08115959
  H      4.20934113      2.42909908      0.17019061
  O     -1.96525360      3.91006481      6.90085632
  H     -2.42690214      4.64161115      0.80786422
  H      3.10464718      2.20902279     -0.87244763
  O      5.08752149      4.09097545      0.67613966
  H     -3.60189340      4.46847175      1.80163361
  H     -0.36780893      3.24975750      0.06547251
  O      3.12444141      5.42872282     -0.64755855
  H      1.59796530      6.11758664      4.97644962
  H     -1.22395229      1.98998240     -0.19969313
  O      3.62414750      1.75592569     -0.19626252
  H      2.72701518      5.15130591      4.61323670
  H     -3.96323617      3.96709704      4.12625721
  O     -0.34467856      2.36285636     -0.32863702
  H      0.48496819     -0.04843395      4.13903119
  H     -3.14858679      5.24530805      3.92623536
  O     -3.90525156      4.75672104      3.57796678
  H      0.52737146     -0.11240936      2.59143001
  H     -0.09505478      3.42991246      6.67941690
  O      0.81813441      3.17295425      6.51909264
  H      2.32650639      5.73479519      2.09257534
  H      1.26980144      3.94631909      6.14918203
          69
 Energy    -248.40424228475177     
  O     19.71603293     11.96808731    -18.37294244
  H     19.30004570     11.61755190    -17.57515788
  H     21.68933614     16.96846853    -17.73892955
  O     16.61477157     18.14819641    -15.69409410
  H     20.51052187     12.43673708    -18.07693693
  H     13.65183728     11.72415001    -13.18356881
  O     16.05536608     14.31150541    -13.14010018
  H     17.03541374     18.43148938    -14.87262631
  H     14.35949095     11.89042240    -14.54786316
  O     16.37875241     13.23414598    -17.24357820
  H     17.22087732     18.37796805    -16.40854712
  H     19.70837690     16.84614119    -14.92515608
  O     17.09698286     10.82458900    -13.58016806
  H     16.89812555     13.86970753    -12.95985939
  H     19.49266042     18.00041959    -13.91855070
  O     14.38260425     11.59170761    -16.28323922
  H     15.40016661     13.60805360    -13.22653253
  H     19.08694729     13.17460840    -13.26955309
  O     21.74344053     13.49039710    -17.25031580
  H     16.83100784     13.43592200    -18.06998858
  H     18.81207048     13.60742171    -11.80946796
  O     21.07854674     18.34793105    -16.84855136
  H     16.26043256     14.06325768    -16.75542380
  H     18.11810127     19.16892856    -18.63947984
  O     17.28008388     16.50396377    -11.81998525
  H     17.59580912     11.45700927    -13.04508569
  H     18.56949048     17.73572272    -18.28265311
  O     20.10884723     13.40962260    -14.83207143
  H     16.17847331     11.11188207    -13.52563642
  H     20.96711905     16.12734889    -13.37115864
  O     18.00781594     13.65870370    -19.54436445
  H     14.40767483     10.76926292    -16.76705811
  H     21.07068553     14.59510236    -13.54247078
  O     21.87711643     16.17950848    -18.27788613
  H     15.04103098     12.16777688    -16.70347274
  H     17.77760666     19.48650278    -12.67729952
  O     14.45418955     12.03973429    -13.59140615
  H     21.84862724     14.41295261    -17.51053249
  H     17.65385577     17.94404272    -12.69124556
  O     20.17596623     17.47851070    -14.35683509
  H     21.40138297     13.49438027    -16.34935256
  H     20.17959916     15.16582695    -11.50095574
  O     18.47691856     13.05916361    -12.52932313
  H     20.92881878     18.16011392    -15.91173490
  H     19.96903331     15.01107487     -9.97413554
  O     18.40679906     18.62000083    -17.91368190
  H     20.22114420     18.62430798    -17.19365292
  H     17.89745265     11.18198050    -15.17729350
  O     21.19569380     15.30883153    -12.90747266
  H     16.71439138     15.82006208    -12.19937089
  H     17.63943583     12.16756849    -16.34553675
  O     17.92255834     18.71692975    -13.22095231
  H     18.01424057     16.04425821    -11.39399569
  H     17.97860650     15.55800601    -15.78884457
  O     19.50863239     15.02325548    -10.80861483
  H     19.60967179     12.67027304    -15.20999503
  H     19.04912569     15.72293018    -16.89765723
  O     18.31291803     11.60303894    -15.94291085
  H     19.70992778     14.20916763    -15.21295262
  H     18.74877623     15.26365269    -19.08043482
  O     18.93138797     15.58826017    -15.95044786
  H     18.65041434     13.01928252    -19.18207358
  H     20.08570977     16.01883994    -18.74609387
  O     19.12052317     16.07662152    -18.71525565
  H     17.78023551     13.35793980    -20.41985135
  H     16.07137555     15.14140727    -14.74993933
  O     16.19710061     15.45869936    -15.65495356
  H     22.66048092     16.37470564    -18.78593881
  H     16.17821477     16.42766042    -15.65881301
          69
 Energy    -248.40418285001201     
  O     18.66522269     12.66359794    -18.77864230
  H     18.50304473     12.24038894    -17.91838334
  H     19.84912327     14.16291577    -18.31430902
  O     18.38662366     18.02637753    -14.67011887
  H     18.71088756     11.96247905    -19.42376878
  H     16.31295061     12.18324584    -12.27189513
  O     19.95549953     11.42132520    -14.04690971
  H     17.64674000     17.42300524    -14.81844835
  H     14.80098217     12.08830835    -11.95741204
  O     16.33959381     15.25617701    -12.27560113
  H     18.61887526     18.42493394    -15.51870757
  H     19.95408270     17.13364291    -14.19649837
  O     14.70413937     14.65267927    -16.60009706
  H     20.26816966     12.32285806    -13.86260067
  H     21.04988989     17.23056488    -13.11497460
  O     17.94972789     11.68249573    -11.97476794
  H     20.71531444     10.84928036    -13.96532446
  H     17.97083249     14.60615840    -11.66681181
  O     15.69384678     12.32425407    -15.28635044
  H     16.37077703     15.56099145    -13.19392777
  H     19.12415896     14.91056305    -10.67879050
  O     21.39636104     17.20688657    -16.69619377
  H     15.91182981     14.39061801    -12.28340035
  H     18.74515691     11.49023274    -15.51171859
  O     16.84992278     17.39842065    -10.59350229
  H     15.33068435     14.63167461    -17.34851186
  H     17.25640240     11.82989338    -15.89639538
  O     20.48644841     14.07235292    -13.43981324
  H     13.84168214     14.81860489    -16.96965379
  H     19.65057904     19.80081164    -17.45284842
  O     16.52372502     14.62535502    -18.56042596
  H     18.57554402     11.43629904    -12.66418421
  H     20.14855412     18.39939695    -17.02363823
  O     20.12573416     14.93301086    -17.80526259
  H     18.31326797     12.48111675    -11.56430972
  H     20.16236952     18.63075883    -11.70285389
  O     15.44559041     12.59129516    -12.44841715
  H     15.53791982     12.42375473    -14.34031823
  H     21.60484132     18.89400910    -11.20350541
  O     20.81446625     16.77536131    -13.93316460
  H     15.27898456     13.08244991    -15.71652909
  H     17.89102226     18.63706309    -11.60130564
  O     18.78653830     14.24491852    -11.29462168
  H     21.15100562     16.38495856    -17.14188814
  H     18.42129678     18.84748347    -13.03739834
  O     18.16491654     11.75798002    -16.23415815
  H     21.39555315     17.01877380    -15.74891204
  H     20.09600817     17.00181134    -10.31671781
  O     19.35552752     18.95782976    -17.11958950
  H     16.59068464     16.65664689    -11.16380823
  H     18.60887000     16.84752466     -9.94447540
  O     21.01860359     18.20635869    -11.50772726
  H     16.09426760     17.59827869    -10.04618446
  H     18.40318873     13.53266946    -15.76568221
  O     18.54650052     19.12174886    -12.11733552
  H     19.94734090     14.11933291    -12.63517429
  H     19.28077669     14.33121701    -14.76207714
  O     19.47799300     16.44243182     -9.83021307
  H     20.78052759     14.97587850    -13.62098260
  H     18.92470614     16.22458258    -18.48257549
  O     18.66226611     14.42372251    -15.49791686
  H     17.17581438     13.93716858    -18.72568688
  H     18.41816059     17.64242490    -18.21259542
  O     18.18357789     16.82099094    -18.65598425
  H     16.99650538     15.46828397    -18.63830400
  H     15.78499549     15.68448023    -15.47906268
  O     16.51595602     15.99329917    -14.93179157
  H     19.63754482     14.86080477    -16.97048022
  H     17.27971240     15.44322800    -15.17244103
          69
 Energy    -248.40344568458528     
  O     12.18360802      9.28467843    -10.91657735
  H     11.41832372      9.79426029    -11.20190262
  H     14.35934594      7.83308928    -12.98472078
  O     12.55666413      7.45600642    -13.00111175
  H     12.37961825      8.65107916    -11.61872854
  H     13.87569295     13.70640512     -8.10679053
  O      9.77792452     10.37636901    -12.06524226
  H     11.93563966      7.93355325    -13.56644798
  H     13.49189292     13.93120446     -6.62767777
  O     14.52773601     10.02364359     -9.71712592
  H     12.09289256      6.72277603    -12.57449189
  H     11.96820178      8.46401319     -9.27758204
  O     15.80735568      7.54001716    -10.14115860
  H      9.20158085      9.83625922    -11.50927244
  H     12.22798408      8.79701127     -7.80607014
  O     13.08925889     15.81842187    -10.95296911
  H      9.97930848      9.90489140    -12.88158403
  H     13.07768247      6.71373790     -9.03132593
  O      8.42633365      9.20509304     -9.89867474
  H     13.71152174      9.83203331    -10.20697572
  H     12.92982378      5.78161569    -10.24733828
  O     12.90487238     13.29691058    -12.21385775
  H     15.06476915      9.22366046     -9.76306581
  H     15.50885267     11.70992737    -12.15300265
  O     14.91768913     14.20385030     -9.43654948
  H     16.56975346      7.11634640     -9.75641472
  H     15.07589986     11.40323173    -10.69919453
  O      9.83766967      6.77593027     -9.60169167
  H     15.04269230      6.96558816     -9.95554903
  H     10.60324268      9.29488127    -15.29264005
  O     11.31826452     14.81407442     -9.15512758
  H     12.41326576     15.56530166    -10.29790539
  H     11.59898444      9.99100585    -14.33220529
  O     15.25749303      8.16967927    -12.86277059
  H     12.96555786     16.74578331    -11.13343764
  H     10.14292703     12.00373568    -11.35558601
  O     13.21537366     13.48660345     -7.42565224
  H      9.01949416      9.78903507     -9.38944502
  H     11.39798082     12.89137628    -11.28876232
  O     11.99350914      8.06910887     -8.39041993
  H      7.54107821      9.38293379     -9.59188460
  H     10.99771875     10.80012671     -8.27245759
  O     13.57174748      6.11914753     -9.61407077
  H     13.70536632     12.87654014    -11.86787795
  H     10.29466740     11.62403106     -9.36360453
  O     15.27444626     12.12534513    -11.31418351
  H     12.96524380     14.22867875    -11.97010421
  H     12.69038944     11.99816883    -13.56860299
  O     10.93314268      9.27957592    -14.39838600
  H     15.20879106     13.52745985    -10.06196407
  H     13.73678035     11.00554751    -14.09063894
  O     10.56110931     12.70636868    -10.83948363
  H     14.43665673     14.85666102     -9.96024133
  H     16.25739495     10.71093811    -14.40305169
  O     10.14661169     10.93101957     -8.70596700
  H     10.49443485      7.10732025     -8.97373257
  H     15.50518667      9.77106908    -13.43031204
  O     12.79506986     11.21341767    -14.12146125
  H      9.24618681      7.52222029     -9.75704657
  H     11.05573068      4.59429244    -11.54108077
  O     15.57878100     10.69440528    -13.73367159
  H     10.87556332     14.12896914     -9.67519839
  H     10.75709029      5.92013291    -10.80305388
  O     11.37093964      5.48637741    -11.42282081
  H     11.83054135     14.34969139     -8.48188024
  H     13.47050388     10.48108487     -8.25768308
  O     12.78324690     10.69478293     -7.61048619
  H     15.52454817      7.91861270    -11.97070048
  H     12.88741731     11.63816512     -7.43315694
          69
 Energy    -248.40331703795738     
  O     18.05746723     10.66196203    -17.82614956
  H     18.31811092      9.99099042    -18.46644849
  H     17.12878929      5.94970198    -16.00037144
  O     14.46242389      5.91859833    -14.23182848
  H     17.72720544     10.15929526    -17.06576201
  H     16.19715897      9.46651316    -15.50883832
  O     16.97781271     12.91644004    -11.74626583
  H     13.82955519      5.29603281    -14.58035209
  H     17.67858021      9.46431496    -15.00543666
  O     20.88225152      8.46479599    -14.62497703
  H     15.09537930      6.08798935    -14.94772171
  H     16.43039120     11.60391832    -17.94605599
  O     15.89288211      7.64217287    -18.68324756
  H     17.44733725     12.95498622    -12.59025132
  H     15.45620910     12.31416863    -16.97404406
  O     14.31196724     10.53583581    -11.27963146
  H     16.05065383     13.07943992    -11.95745888
  H     16.45943531      8.39757815    -12.39030189
  O     14.72963810      8.36561262    -13.00275757
  H     21.83057621      8.55489380    -14.65702334
  H     17.28739542      9.14562309    -11.31544404
  O     18.03879226     12.64847834    -14.33266964
  H     20.60191648      8.12254513    -15.49294386
  H     14.51137386     10.54421480    -18.06710836
  O     19.11603982      6.62673288    -13.28731750
  H     15.95747366      7.12497384    -17.86833826
  H     13.20392736      9.86582120    -18.54280269
  O     14.46533054      9.93142921    -15.25828982
  H     15.23088188      8.32309171    -18.51544998
  H     17.30330514     10.84518414     -9.36990720
  O     18.71145077      5.16958436    -15.53337411
  H     14.32085855      9.72417843    -11.80476048
  H     17.07355172     11.46702665    -10.76686728
  O     16.37532308      6.53265372    -16.15811164
  H     15.14220470     10.53499832    -10.78825695
  H     19.61594466      9.62008929    -14.02345791
  O     17.09340799      9.16836933    -15.71378037
  H     14.56235891      8.92448488    -13.77565132
  H     18.36380789      9.55862079    -13.08265606
  O     15.52918120     11.94338101    -17.86300512
  H     14.56049488      7.45806918    -13.28982635
  H     14.16220193     12.06977768    -12.10605312
  O     17.35399114      8.50555674    -12.03630142
  H     18.36324984     11.76659854    -14.09511024
  H     13.48301221     13.45665366    -12.18746439
  O     13.99902527      9.71558705    -18.03795643
  H     18.50391723     12.90161947    -15.14119857
  H     19.49491452      7.63588477    -17.68759202
  O     16.99654600     10.64477267    -10.25008845
  H     19.80069555      7.23345382    -13.59590688
  H     19.56435211      6.52835861    -16.60400333
  O     18.81820662     10.09192726    -13.75038824
  H     18.49572996      7.15492264    -12.76964452
  H     16.29966708     12.58634828    -14.84154619
  O     14.20697966     12.94318019    -12.53543590
  H     14.16234354      9.77836458    -16.16175956
  H     14.87816487     12.78726115    -14.26461039
  O     19.99405844      7.33258789    -16.92089570
  H     14.69935546     10.86838302    -15.18234044
  H     19.22808370     13.63532703    -17.50284777
  O     15.35838322     12.53745206    -15.06463797
  H     18.82182857      5.62296930    -14.67721795
  H     18.89562518     12.16123840    -17.22471531
  O     19.21340626     12.97903643    -16.81021066
  H     18.97346820      4.26297288    -15.40070681
  H     18.70873306      7.98006272    -20.09963285
  O     18.49011215      8.25255653    -19.21249708
  H     16.68485933      7.43448402    -15.98092273
  H     17.55328102      8.02436624    -19.07364171
          69
 Energy    -248.40317924282914     
  O     10.18001417     11.58140578    -11.46595845
  H     10.83759900     11.66944730    -10.75315033
  H     12.61774829     11.06516942     -9.23921164
  O     14.66944960     10.67668912    -12.55542794
  H      9.32208691     11.61683638    -11.05061508
  H     11.72458016     11.13036701    -17.78812481
  O     17.30218404     13.07123973    -13.75401155
  H     14.28382009      9.94161822    -12.06262985
  H     10.93292055     10.00474600    -18.48001549
  O     15.25411013      7.46738495    -13.20796070
  H     15.57884736     10.80351106    -12.25380983
  H     14.40459380     13.79289002    -13.86849418
  O     11.22062643     12.47932898    -13.91060061
  H     17.68818471     12.70881066    -14.56195529
  H     13.94785232     14.40312365    -15.19100644
  O     12.07314381     14.36875317    -15.76026976
  H     16.54564679     13.59137686    -14.04470958
  H     18.90213276     11.87152441    -16.75602741
  O     15.32931037     12.04495037    -16.53856736
  H     15.01402520      7.93701272    -14.01277755
  H     18.03244892     10.90834375    -15.91004643
  O     13.96297728      9.76412445     -8.91301128
  H     16.14742589      7.76364547    -12.98804139
  H     13.78879001     13.71734008    -10.83724513
  O     13.51518339     13.11198605    -12.46040100
  H     10.73132977     12.24952631    -13.10974133
  H     13.98947721     14.83950514     -9.78979488
  O     14.72602483      9.72586271    -15.12602498
  H     11.46078847     11.64236667    -14.33682016
  H     17.80248585      9.03307230    -14.43845260
  O     17.83324572      8.60607438    -12.60467612
  H     11.43337033     15.06607102    -15.88305163
  H     16.60357483      9.33994972    -15.34806998
  O     12.04241192     11.79452054     -9.49978153
  H     11.68216454     13.74199323    -15.12915184
  H     15.30289281     11.09425399     -9.26027364
  O     11.13235978     10.37619511    -17.62532492
  H     16.29062627     12.01290005    -16.61226194
  H     15.31341082     12.59908585     -9.56899444
  O     14.73549920     14.09351726    -14.72788417
  H     15.13370320     12.74366355    -15.89706495
  H     12.83594789      9.83280352    -15.11806284
  O     18.12661166     11.83273154    -16.20347657
  H     13.96738848      9.17096278     -8.16599939
  H     11.53257462     10.04992840    -15.93049217
  O     13.92998261     13.89324249     -9.89025687
  H     13.83902312      9.21377867     -9.70590808
  H     12.54482454     13.19991871    -17.21755163
  O     17.56841406      9.34022935    -15.32291199
  H     13.93474621     12.23690552    -12.43846591
  H     13.75289543     12.30437305    -17.54011370
  O     15.88078736     11.82017285     -9.52706858
  H     12.66996160     12.98680333    -12.90918706
  H     10.79494056      9.85855458    -12.09328560
  O     11.89446245     10.02199599    -15.03214352
  H     14.87231720     10.48180672    -15.71362994
  H     11.37863633      9.28704304    -13.39822103
  O     12.84805790     12.50443457    -17.81318718
  H     14.73813676     10.08005250    -14.22176304
  H     16.92841185     11.45686156    -10.92799864
  O     11.23032868      9.08315258    -12.46470503
  H     17.70748976      9.50550656    -12.25568901
  H     17.36394107     11.88875280    -12.38941642
  O     17.28607721     11.14461595    -11.77330009
  H     18.53959231      8.21144950    -12.09974062
  H     12.70172136      8.57258236    -11.64566360
  O     13.58149490      8.45377032    -11.25326501
  H     12.60735630     12.57669548     -9.51152363
  H     14.12335136      7.93799431    -11.86681637
          69
 Energy    -248.40314197570672     
  O     12.76180201     10.43194326    -14.86607886
  H     13.53441899     10.67204118    -14.34594558
  H     15.91510248      5.07362010    -13.98321956
  O     16.21468611      6.09876575    -12.58295746
  H     12.12438910     10.10444515    -14.21889063
  H     19.02308892      6.94005189    -14.96084201
  O     17.72897584     10.34714469    -12.02067033
  H     17.02540464      6.52021877    -12.26644841
  H     20.53336853      6.97801052    -14.62642430
  O     17.67125696     11.02568352    -16.72324126
  H     15.49423204      6.38279887    -12.00155949
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  H     14.40131060     10.00594649     -9.51629572
  H     12.45591786      6.61381740    -13.59147565
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  H     16.77318915      9.39175733    -16.94671768
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  H     17.86862564      9.68829652     -9.11521876
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  H     15.16135540      8.19534501     -8.40845404
  H     18.22390885     11.11553123     -8.62770710
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  H     15.07078330      6.91927110     -7.53418274
  H     14.16841465     10.29930271    -11.83756513
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  H     17.10539408      5.68464166    -15.71586742
  H     12.72370634      9.79579913    -11.59235955
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  H     13.39259588      7.85655793    -16.55023454
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  H     15.71519061      3.72596162    -14.71770012
  H     13.25998249      9.36267641    -16.29656770
          69
 Energy    -248.40310415731227     
  O     -1.06232676      3.29402291      2.90044667
  H     -0.45518472      2.56474543      3.07934146
  H      0.57469048      1.29706099      0.03867833
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  H     -1.75524689      2.97341090      2.30813547
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  H     -1.24326595      5.29479971      0.30370049
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  H     -0.05672588      7.52387261     -2.59365357
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  H     -2.06187885      1.35121441     -2.25604549
  O     -0.88318853      1.92395248     -0.90228356
  H      2.57346371      7.16497391      1.87829195
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  H      1.64320360      4.10909045      0.01221687
  H      1.99792673      2.94302593      3.69173489
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  H      1.72156468      3.68259403     -1.45513988
  H     -4.11084396      4.07117591     -1.86953707
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  H     -3.08292891      5.13519223     -1.43385135
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  H     -2.30542531      4.18671663     -5.04785396
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  H      1.09911554      0.54749854      3.60173194
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  O      2.44285565      3.78561225      3.82857093
  H     -1.54768642      2.20925252     -0.26121447
  H      1.79888049      5.23515591      4.46506107
  O     -3.58238721      4.80984609     -2.19543862
  H     -1.31257885      4.93647018      3.69849983
  H      1.81157547      6.28616488      5.60208233
  O     -2.03749496      3.84662793     -4.19879000
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  H      4.22019298      5.17279089      1.45844532
  O      0.97327248      1.39944284      3.19309512
  H     -3.63433350      2.57875416      0.27246556
  H      3.59750395      3.95407099      0.76172383
  O      1.43876779      6.09765328      4.74570382
  H     -2.73612958      3.78118061      0.64226844
  H     -5.57201472      1.90075428     -1.37417700
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  H      0.44349426      7.96926096      1.07783609
  H     -4.10652216      1.90801304     -1.87021651
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  H     -1.08449511      8.06684331      0.97712277
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  O      2.98433415      6.42735180     -1.29851929
  H      1.95021248      1.94227614      0.14341861
  H      2.10489037      6.72951148     -1.55528009
          69
 Energy    -248.40298855111462     
  O     -7.26001175     -1.91967612      5.93851936
  H     -6.42337254     -1.50235524      5.68826405
  H     -3.34292715      0.34962321      1.90420181
  O    -10.90902780     -1.35765648      3.38040903
  H     -7.63216427     -2.25783347      5.11456205
  H     -7.81869171     -0.55805255      3.46476898
  O     -8.33747625     -2.30731660      3.30780573
  H    -10.76073838     -0.56745623      3.91649716
  H     -6.77076230      0.30929680      4.18474492
  O     -6.11901939      0.01538442      0.37602221
  H    -10.94850483     -1.06142538      2.46309997
  H     -4.78859163      0.35851503      5.49398714
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  H     -9.28603665     -2.12207545      3.40180938
  H     -4.69998291     -0.32888021      4.09915274
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  H     -8.17025967     -2.38002794      2.36197937
  H     -2.01437754      2.01676214      1.12736466
  O    -10.25953255      2.01498713      1.20581305
  H     -6.63208056      0.78253076      0.67850145
  H     -1.09269350      0.87737150      0.62809255
  O     -8.70922089      0.01926748      7.20598917
  H     -6.73982586     -0.71881798      0.33355810
  H     -8.89487392      3.80334233      4.15082226
  O     -4.27663354      1.80610062     -0.79633439
  H     -3.93929455      2.20389602      7.14425172
  H     -7.43525082      4.15866215      3.77911504
  O     -9.97472497      0.87708030      4.88652429
  H     -5.34073337      2.14408541      6.48027797
  H    -11.45641891      3.66671143      4.17020073
  O     -8.21162037     -1.94816378      0.45831291
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  H     -4.51861967      3.49526433     -0.33705448
  H    -10.52938690      0.38032838      0.79866830
  O     -7.55824474      0.35876235      3.63048610
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  O     -5.14556546     -0.35980923      4.95676717
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  H     -7.63851997      1.60221489      6.79318540
  O     -2.00194219      1.09450704      0.81351298
  H     -8.90078546     -0.25646496      8.09814222
  H     -7.42119914      2.85341022      5.87934678
  O     -8.00298447      3.87869047      4.50658355
  H     -8.20822683     -0.70615836      6.79215242
  H     -2.99836458      4.05936464      1.10607457
  O    -10.72957175      3.23259140      3.73061639
  H     -3.45019492      1.50318552     -0.40060080
  H     -2.87513184      3.43841255      2.50539584
  O    -10.64206486     -0.56926415      0.60901640
  H     -4.93512248      1.14026488     -0.55967603
  H     -4.16849422      2.56344592      4.60411189
  O     -7.01834840      2.30209765      6.56709152
  H     -9.13329495      0.81368686      4.40830615
  H     -4.21560512      1.85272548      3.22228985
  O     -2.36985156      3.63625334      1.70395832
  H     -9.76385120      0.60140855      5.78700162
  H     -7.55626675      1.50249401      2.29911070
  O     -4.15854776      2.71747081      3.65179878
  H     -9.05205988     -1.46197275      0.47513595
  H     -7.05814056      2.86478180      1.73725481
  O     -7.52463756      2.05406584      1.50039346
  H     -8.31407755     -2.64643525     -0.18499011
  H     -5.63445346      4.47037018      1.55317510
  O     -6.08316705      4.24245472      2.37702097
  H     -4.85254302      0.04900406      1.73959768
  H     -5.42762260      3.76337527      2.90738962
          69
 Energy    -248.40293847253650     
  O     11.48665925     10.87218993    -12.09041812
  H     12.11059699     11.37753915    -11.55530759
  H     12.69980362      7.68176215    -13.19425319
  O     16.84614555     12.41137627    -12.77010778
  H     11.62731318      9.94508640    -11.85747623
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  O     14.44826856      8.30835545    -10.12160004
  H     16.34166659     13.20432492    -12.55967180
  H     14.14217512     10.75299376    -13.67886098
  O     17.09161291      7.33820620    -11.02675927
  H     16.18792259     11.70938344    -12.89632330
  H     11.93548275      8.56386392    -16.76822030
  O     19.34082960      8.20134765    -12.67732140
  H     14.71217247      9.12591533     -9.68122940
  H     12.73863670      8.39042072    -15.45576481
  O     12.60614308     11.27306883    -14.56811399
  H     15.25980905      7.91175206    -10.45167437
  H     18.29418723     10.21162634    -10.51233873
  O     17.29676975      9.20352770    -15.51182600
  H     17.31659223      6.60786455    -10.45531799
  H     17.01909599     10.20330308     -9.61200743
  O     19.09189019     10.94985650    -12.03026029
  H     17.36722354      8.16008770    -10.57547553
  H     20.36326877     10.22423572    -14.88526898
  O     15.07716087     10.07754831    -17.06155484
  H     18.69081063      7.73823312    -12.14383987
  H     19.54452312     11.52185519    -14.93529074
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  H     19.26239203      9.13452335    -12.43084579
  H     14.61917725     13.42621589    -15.60949329
  O     15.64324426     12.72382674    -17.05137514
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  H     13.44371549     12.86647039    -14.79213894
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  H     12.06661072     11.13268165    -13.77500782
  H     14.53325219     14.14566983    -13.28041364
  O     14.84981672     10.56158268    -13.04889785
  H     17.43874649     10.15613125    -15.41468955
  H     14.77229514     15.30783632    -12.28663517
  O     12.57931125      8.98864534    -16.20830916
  H     18.17544977      8.81375557    -15.59846766
  H     14.16533710     11.45163632    -11.65885311
  O     17.76350814      9.66916746     -9.91327575
  H     18.32176799     11.50937660    -12.20416212
  H     14.09346802     12.95706658    -11.33482147
  O     20.31531857     11.11354654    -14.51668552
  H     19.67784180     11.07593157    -12.79114238
  H     17.12570945     12.33329421    -15.99265769
  O     14.05999159     13.61128516    -14.84657026
  H     14.24817477      9.65305070    -16.81237729
  H     17.45497831     12.24624149    -14.47955557
  O     14.82830099     14.36081799    -12.37533598
  H     15.78838142      9.60590601    -16.60976442
  H     11.50335062      7.59118466    -10.97034004
  O     13.85949293     12.08633276    -10.98984514
  H     20.59565293      7.67495744    -15.57617819
  H     12.92301442      8.20144667    -10.96818658
  O     17.75757805     11.97538180    -15.35777664
  H     19.78965338      8.18435931    -14.35583335
  H     15.11571654     11.16457622     -8.17464665
  O     12.08920401      8.15685866    -11.46761337
  H     15.64542195     13.05708580    -17.94464734
  H     14.78026643     11.35056947     -9.67201521
  O     15.29758279     10.81830483     -9.04485836
  H     15.38077328     11.78631086    -17.10236940
  H     16.40228518      8.34081149    -14.18681718
  O     15.80307471      7.98762576    -13.51221496
  H     14.07108616      7.51925300    -13.88543099
  H     16.32478274      7.70653713    -12.75391442
          69
 Energy    -248.40293767603282     
  O     15.41532500     12.46986377    -14.20289472
  H     14.56678317     11.99263683    -14.16471793
  H     19.35180371      5.67415713    -13.35293753
  O     16.03996853      6.03589740    -14.50193547
  H     15.22663877     13.37883556    -13.98466168
  H     19.18260158     11.25235401    -18.21232067
  O     18.30609029      8.49994572    -11.56016418
  H     16.62327661      5.86317422    -13.74973074
  H     18.07496434     11.21069774    -17.14907917
  O     15.69629872      7.33730857    -18.80660608
  H     15.19394811      6.34589729    -14.15094989
  H     17.82453294      8.66105890    -15.25193397
  O     14.32172842      8.28316647     -9.33046938
  H     19.16119297      8.57685530    -12.00189712
  H     16.65943319      7.69753074    -14.83750408
  O     13.72660221      7.21369098    -13.47482887
  H     17.74892578      9.20302735    -11.92250460
  H     13.35937560     10.50373933    -13.12015841
  O     16.63926858     10.30710150    -12.86080867
  H     16.18424268      6.71361226    -18.24098975
  H     12.89210883     10.30198568    -14.56897725
  O     19.83096245      6.15459800    -16.55352648
  H     15.59093739      6.90302621    -19.64798744
  H     15.48375298      5.15553632    -10.48213824
  O     13.97958651      5.91296079    -10.93799679
  H     14.01047601      8.51175152     -8.45918379
  H     16.25543769      4.01968363     -9.76572170
  O     19.58243464      8.82211653    -15.70739384
  H     15.26940714      8.07317052     -9.24767033
  H     13.50908743      8.90216818    -16.17181579
  O     17.04769532      5.69466785    -17.09776161
  H     13.92285280      7.97123313    -12.90337203
  H     12.00238932      8.57550076    -16.28830197
  O     20.14614209      5.85293532    -13.87443279
  H     13.27007058      7.58433857    -14.23957212
  H     21.41839974      9.11768073    -13.10210283
  O     18.96708869     10.88588033    -17.35908503
  H     16.71186286      9.71194560    -13.62545289
  H     20.26875393      8.77690094    -14.07834564
  O     16.90038870      8.62311829    -14.97553962
  H     16.36334569     11.15964056    -13.21715254
  H     17.37280994      5.39638545    -11.62907792
  O     13.15427153     10.98091188    -13.93670608
  H     20.49179532      5.65793708    -17.02904633
  H     17.91350905      6.77552503    -12.09919992
  O     16.36809934      4.86228609    -10.19642606
  H     19.95383002      5.95103242    -15.60859581
  H     16.86637472      6.58955507     -9.47771947
  O     12.70188166      8.72486743    -15.65762436
  H     13.77461745      6.20934295    -11.83322058
  H     17.49253228      7.91742572     -9.96627292
  O     20.61428770      8.61120945    -13.18365595
  H     13.92721916      6.69558792    -10.37478654
  H     16.11484272     12.01737165    -15.92769198
  O     17.78759021      5.85498544    -12.37017612
  H     19.70247387      7.98995539    -16.18235805
  H     15.84086800     10.92583404    -16.97901863
  O     16.92308980      7.53403936     -9.28606010
  H     19.44156838      9.54214772    -16.34135006
  H     15.09353417      9.73420531    -12.09994658
  O     16.41207200     11.67982120    -16.78035395
  H     17.99300503      5.81460552    -16.95254688
  H     14.21850220      9.14873114    -10.94265119
  O     14.20515743      9.43011937    -11.86493512
  H     16.63990174      5.67641003    -16.22123770
  H     15.70976537      9.05040610    -16.25947492
  O     15.04722346      9.22258179    -16.94519403
  H     20.47237805      6.70304701    -13.55584004
  H     15.24006702      8.62059086    -17.67949343
          69
 Energy    -248.40280030641895     
  O     12.24045643     10.64124589    -15.28609655
  H     12.93435051     10.88823827    -14.66620458
  H     15.08651191      5.43473379    -15.28598937
  O     15.14212837      6.05059331    -13.57180682
  H     11.51628783     10.29979498    -14.74550779
  H     18.36954671      6.65400468    -15.37087611
  O     16.86561591      9.80366060    -11.95309545
  H     15.92448357      6.25709488    -13.04253249
  H     18.66709877      7.95783073    -14.62231020
  O     17.78228776      9.72937255    -14.63305732
  H     14.36909851      6.23014515    -13.01990080
  H     15.79937244     11.70865909    -16.22891747
  O     12.55569604      6.36292179    -16.76387788
  H     16.76849954      9.82245163    -10.99144846
  H     16.83723325     11.42331651    -15.13990513
  O     13.67808376      9.08736272     -9.24012305
  H     16.05824072     10.18618321    -12.31605426
  H     14.74408060      8.55574580    -15.65754307
  O     12.97823747      6.78386751    -12.02661965
  H     16.94800674      9.26193819    -14.81588419
  H     15.23000440      7.62714778    -14.49318719
  O     14.54322846     10.71803981    -13.44943077
  H     17.77420435      9.88356862    -13.68036186
  H     10.63051995      8.51421521    -13.83418352
  O     17.67588908      9.13600625    -17.43056051
  H     13.43296082      5.96358738    -16.61784084
  H      9.45551694      9.43938311    -13.42431551
  O     13.77002068      6.21476970     -9.40574537
  H     12.08914991      5.78791435    -17.36481901
  H     16.83247105      6.65949328    -10.44155423
  O     17.52694150      6.41771016    -17.11269203
  H     13.21717919      9.35101233    -10.04786992
  H     16.52597029      7.67366741     -9.32765292
  O     15.01080757      5.39930949    -16.25061726
  H     13.58426627      8.12869965     -9.18098590
  H     11.70928737      6.72064752    -15.08045724
  O     18.74719166      6.99908683    -14.55313566
  H     12.90037238      7.74540947    -11.95734021
  H     11.82592068      6.70258442    -13.52891252
  O     16.07460776     11.97774265    -15.34352303
  H     13.16517059      6.46413437    -11.13472727
  H     17.94382549      6.87263607    -12.93992955
  O     15.29580327      8.51415641    -14.86739509
  H     14.71252924      9.86706997    -13.88809684
  H     17.17353960      7.94818933    -12.12440389
  O     10.40176132      9.41353534    -13.53400249
  H     15.00406211     11.37388347    -13.99326113
  H     16.57754736     10.12590461     -8.44597616
  O     16.42136723      6.74596660     -9.57044531
  H     16.94180511      9.70221165    -17.70045657
  H     15.37009773      9.49626682     -9.18343702
  O     11.25796997      6.96616956    -14.26498108
  H     17.96014000      9.47246284    -16.57272911
  H     14.70711746     10.12538679    -17.67214879
  O     17.34447357      6.99883284    -12.18992646
  H     13.59819090      5.53424877     -8.76086300
  H     15.09961637     11.23952225    -18.66825077
  O     16.33723542      9.61162102     -9.21198818
  H     14.73768321      6.32041910     -9.45336305
  H     11.78352886      9.61221971    -12.28188995
  O     15.39845771     10.77257705    -17.89165298
  H     18.07012616      5.99915121    -17.77684149
  H     13.26774919     10.07342555    -12.29837600
  O     12.61458011      9.57238543    -11.79165234
  H     17.54956869      7.37160721    -17.30024714
  H     13.12478666      8.10183767    -17.04525915
  O     13.53768583      8.97259009    -17.00753723
  H     15.85213973      5.71993445    -16.59712472
  H     12.97889116      9.54777772    -16.45935488
          69
 Energy    -248.40274358683834     
  O     16.02145752     10.69092171    -16.83335624
  H     15.19333211     11.02592372    -16.47210309
  H     17.88420858      6.63913163    -11.37091838
  O     16.04696869      5.31170832    -13.76773622
  H     16.37240449     10.08218825    -16.16261087
  H     19.47203686      9.83581565    -17.05695411
  O     18.64578095     13.65884090    -11.59668777
  H     16.67645494      5.40714450    -13.04247079
  H     20.59891129      9.17134451    -17.87975274
  O     19.66469833      8.17381115    -14.63963209
  H     16.56877277      5.12583716    -14.55752554
  H     17.83038806      8.47604327    -14.86904903
  O     15.55596777      7.94730071    -17.31880206
  H     19.10773397     12.95804538    -11.10250663
  H     16.44406492      8.68869109    -14.18477953
  O     17.23047503     10.45333583     -9.15246911
  H     19.11344057     14.47172403    -11.42676610
  H     13.42022793     10.23678967    -15.47899831
  O     15.48918223      8.85211708    -12.60881032
  H     19.89830886      8.36217264    -15.55586788
  H     12.76377917     11.61318162    -15.73648290
  O     18.04678930     12.02862892    -13.83623891
  H     19.78104036      7.22833543    -14.46830049
  H     17.49032984      8.96272262    -10.21935961
  O     19.67687037      5.52239882    -13.99045205
  H     16.02361310      7.94795186    -16.46551555
  H     18.27716941      8.85578796    -11.54623125
  O     13.81932798      6.75601307    -13.38989576
  H     15.58556021      8.87452832    -17.58803875
  H     13.93838917      8.17908721    -16.28384959
  O     17.78639204      4.73628137    -15.94852152
  H     16.79915493     11.13254666     -9.70240169
  H     13.40888736      7.88280210    -14.86726557
  O     17.95616427      5.72266964    -11.68292776
  H     16.91068824     10.57914937     -8.26323848
  H     18.97861099     11.13039010     -9.76670762
  O     19.86037699      8.97836593    -17.30812554
  H     14.86524594      8.12644195    -12.73378808
  H     19.75690778     10.88041748    -11.06796032
  O     16.89922269      8.66414625    -15.03391424
  H     16.15644821      8.59228898    -11.96111908
  H     19.59407279      9.27359629    -13.27100096
  O     13.57584228     11.19825730    -15.45853097
  H     17.09735840     11.87131926    -13.73558662
  H     18.84909179     10.60799462    -13.02393348
  O     17.67658567      8.36997897    -10.95859288
  H     18.28382467     12.70969749    -13.19439081
  H     15.77680717     12.16603846    -11.58455285
  O     13.31817366      8.48885504    -15.61195328
  H     19.08939466      5.14518767    -14.65900356
  H     16.95063589     12.97010004    -10.99761325
  O     19.68513514     11.48779727    -10.31727243
  H     19.17604918      5.53011057    -13.16575936
  H     18.67468699      7.50095132    -17.66497748
  O     19.30210908      9.88011195    -12.57595595
  H     14.58810793      6.18684202    -13.57961647
  H     17.18433464      7.12747158    -17.82871859
  O     16.21155374     12.39924574    -10.75367170
  H     13.15464401      6.19927447    -12.99387070
  H     14.69056137     11.54996249    -13.98642890
  O     18.07144140      6.75308819    -17.74787112
  H     17.91697976      5.44673646    -16.60026865
  H     15.35008917     10.57137679    -12.99238656
  O     15.33852163     11.49921986    -13.27480378
  H     17.75306877      3.92078422    -16.44221942
  H     18.63045755     11.62003870    -15.61575091
  O     18.70088717     11.31306716    -16.52826575
  H     18.10146720      5.18355772    -10.90869078
  H     17.78626093     11.26401780    -16.84005868
          69
 Energy    -248.40271584122286     
  O     10.31962237     11.36838503    -11.92705683
  H     10.93784136     11.68326534    -11.24347778
  H     12.63315961     12.92778329    -10.26017698
  O     14.99119633     10.51233408    -12.77824507
  H      9.44146388     11.48719300    -11.57448566
  H     14.78120830     13.43303279    -14.52450634
  O     17.87304795     12.63910533    -14.36043040
  H     15.86543245     10.81948375    -12.50480508
  H     14.97083529     14.23650062    -15.83768690
  O     16.36611940      7.39351318    -11.88989491
  H     14.66114659      9.90319906    -12.10431766
  H     18.37366528     10.93270201    -17.37324401
  O     11.35905695     11.64923877    -14.53115422
  H     17.08731375     13.13153259    -14.63810862
  H     16.97971834     10.90497336    -16.71241682
  O     13.78618004     14.98718406    -16.97815836
  H     18.05292299     12.02322943    -15.07904410
  H     13.78781261     13.73305617    -11.85715232
  O     15.18889677     11.25244104    -16.70000118
  H     16.15932866      7.10647500    -12.78675560
  H     13.93265343     15.07670041    -11.10546870
  O     14.06781984     10.50485017     -8.83313802
  H     15.54426550      7.72929572    -11.50707782
  H     18.50592194      8.73944115    -13.99875990
  O     13.60269490     12.78019081    -13.32185243
  H     11.46820779     10.71632957    -14.76130458
  H     18.21428055      9.26683018    -15.43549835
  O     14.51153423      9.10998483    -15.05126905
  H     10.89243600     11.65207074    -13.68423206
  H     16.46464773     12.07786838    -10.50156257
  O     18.60175337      8.91485706    -12.08398221
  H     13.66183345     15.46461570    -17.79383410
  H     15.27618465     13.02573946    -10.19839061
  O     12.07643797     12.17229149    -10.03474176
  H     13.25162582     14.17876111    -17.05663899
  H     11.48458152      8.39898266    -15.78411789
  O     15.41881121     13.63931325    -15.22208459
  H     14.93160856     10.50599934    -16.13976167
  H     12.77100641      8.93430347    -15.10785992
  O     17.92487781     10.75536444    -16.54971281
  H     15.26438682     12.04478276    -16.14636139
  H     16.93869030      7.39021032    -14.83891007
  O     13.91424839     14.13173075    -10.97873299
  H     14.74934958     11.12764843     -9.14706481
  H     16.27431946      6.02028532    -15.12751098
  O     18.27398083      8.46912473    -14.89566785
  H     14.20511733     10.39568323     -7.89603934
  H     11.62042872      8.70051541    -13.14745448
  O     15.80881999     12.31030044     -9.83035618
  H     12.79999517     12.49677349    -13.77559234
  H     11.11645523      9.62736844    -12.03413713
  O     11.80034412      8.91917697    -15.04991612
  H     14.07867976     11.97100795    -13.07684860
  H     17.68022184     11.93749701    -12.75082313
  O     16.12013245      6.87095539    -14.72648687
  H     15.02111301      8.29090283    -15.01689219
  H     17.94844909     10.63250045    -11.93171967
  O     11.60568970      8.81044516    -12.18950360
  H     14.71438723      9.60628597    -14.24239162
  H     12.06773164     12.27030777    -16.22260326
  O     17.44540433     11.45654170    -11.94178404
  H     19.30943516      8.52507740    -11.57741261
  H     13.35111449     11.96634763    -17.03687903
  O     12.55790544     12.51524125    -17.01681719
  H     17.81460583      8.35752107    -11.94282270
  H     13.15391642      8.63371117    -11.32060964
  O     14.04899948      8.67179823    -10.94968270
  H     12.65120252     11.55336401     -9.56897689
  H     14.01773255      9.20520641    -10.14522669
          69
 Energy    -248.40267486090067     
  O     14.38913597      3.16821404    -10.66561384
  H     14.53160019      2.24804954    -10.41078478
  H     14.60372764      9.19383233     -9.97815210
  O     12.38827002      3.21571806    -12.61971085
  H     13.71883140      3.15706442    -11.36508113
  H     14.23311524      7.19329505    -12.52212009
  O     16.85670516      3.57045127    -12.01128059
  H     11.78286131      3.85843143    -12.23193094
  H     14.17975938      6.06218126    -11.45997685
  O     11.41927033      7.19634439    -13.49050785
  H     12.83424299      3.67201466    -13.34921860
  H     13.72829276      4.70741144     -9.95576279
  O     13.43624007      0.60406353    -12.94021073
  H     17.18446781      4.47592478    -11.95869250
  H     12.47964573      5.57273094    -10.31023117
  O     14.85500274      0.41707002    -10.43541491
  H     16.02707254      3.53365703    -11.51538764
  H     14.79193894      0.51972818    -14.05581530
  O     17.24103725      9.03605687    -13.35842508
  H     11.67227739      6.99782366    -14.39831775
  H     15.55959308     -0.23006182    -15.17098637
  O     17.36097327     10.40185721    -11.02357440
  H     12.03525336      7.89318371    -13.21889632
  H     11.13966836      6.06438826    -12.20956332
  O     13.87204750      4.67435559    -14.41680293
  H     13.77886227      0.43475770    -12.05389510
  H     10.10400564      5.49698410    -11.21255435
  O     15.21531922      8.11284012    -15.15952814
  H     12.92202071      1.41925969    -12.87803525
  H     16.35076079      6.35182007    -12.27555955
  O     17.01183641      5.98168160    -15.02668971
  H     15.68021932      0.45325616    -10.95268221
  H     17.51502191      6.77956596    -11.34390080
  O     14.60256262      9.88404196    -10.65181251
  H     14.96957974     -0.26250581     -9.77725886
  H     16.47844246      3.35645272    -13.78741435
  O     14.57394400      6.31522825    -12.30185701
  H     17.40275633      8.14789954    -13.01826227
  H     16.04927305      2.30760233    -14.83567993
  O     13.34461034      5.59381636     -9.87907337
  H     16.61767408      8.92074687    -14.08464285
  H     17.17531660      1.69839908    -12.00870196
  O     15.61793057      0.50907248    -14.57163757
  H     17.94078611     11.15701585    -11.06677126
  H     16.69148459      0.57996283    -12.95332447
  O     11.01663545      5.42862684    -11.48103159
  H     17.34085226     10.01165576    -11.91629391
  H     12.56746410      6.39073586    -16.84437063
  O     17.31880215      6.35614133    -12.19335626
  H     14.64940441      4.14380956    -14.63640122
  H     13.18292645      5.88549682    -15.51915241
  O     16.20765316      3.25112932    -14.71200189
  H     14.13613737      5.27671507    -13.70358244
  H     14.24615762      6.95051587     -9.10490136
  O     17.00623922      0.74754534    -12.05629840
  H     14.40066427      7.78709954    -15.55850128
  H     14.59389174      7.77715188     -7.85098144
  O     12.82179328      6.66932978    -15.96808160
  H     15.83580688      7.36736263    -15.19745408
  H     17.53290357      8.70479660    -10.13541856
  O     14.78460220      7.69030771     -8.78253075
  H     17.36534262      6.05944903    -14.13224838
  H     16.60154146      7.70026469     -9.43451563
  O     17.46063751      7.77978933     -9.86686579
  H     16.83028966      5.04199517    -15.14585854
  H     14.20169643      8.83845035    -13.67570029
  O     13.57383065      8.81988244    -12.94316369
  H     15.51814630     10.18194961    -10.72688142
  H     13.93771894      9.30696603    -12.18854081
          69
 Energy    -248.40258902176839     
  O     14.59609584      7.74832631     -8.94892734
  H     14.73656882      7.93511964     -8.02334308
  H     11.07312250     10.22798243    -15.53746463
  O     13.56543413      5.59542828    -16.09998037
  H     13.89505071      7.07422257     -8.98811872
  H     11.70282190      7.85012023    -14.84947964
  O     17.04226151      6.48132482    -14.95035249
  H     14.18602693      6.16917308    -16.56537516
  H     12.33196714      6.44171530    -15.13794172
  O     15.65659752     10.83115352    -14.02315412
  H     14.11394906      4.94108662    -15.64928318
  H     16.63375455      8.24734664    -12.19105334
  O     10.40666918      6.15003453    -12.21355490
  H     16.83570971      7.16658827    -14.29811760
  H     15.35453953      8.00141244    -13.02456680
  O     16.56041455      3.43089823    -11.01173211
  H     16.65843878      6.77319241    -15.78667382
  H     13.43415352      7.97482282    -11.98057134
  O     11.96333830      4.04532669    -11.04229110
  H     15.95440187      9.97610201    -13.66594988
  H     13.08626105      7.21975244    -13.30220867
  O     17.00272349      7.83306967    -10.52666778
  H     16.37876049     11.44357311    -13.91229313
  H     11.71778742      6.70178351     -9.33764016
  O     12.96498013     10.80360585    -13.06636050
  H     10.85925223      5.35792414    -11.89875482
  H     12.30425811      5.32053044     -9.66015731
  O     17.42155416      2.47138287    -13.41084922
  H     10.79310437      6.37037290    -13.07218003
  H     18.34977619      5.53573205    -13.99594393
  O     14.42881668      9.60238541    -16.27778621
  H     15.75684770      3.90648059    -11.26379617
  H     18.49167793      4.08405084    -13.49463302
  O     11.77745879      9.66968607    -15.21900483
  H     17.20204873      4.10642016    -10.75808161
  H     14.67824300      4.45198131    -13.03545536
  O     11.78814038      6.94843758    -14.51504249
  H     11.84691668      3.10247617    -10.96107662
  H     14.18845795      5.66393984    -12.20821234
  O     16.25465469      8.35804449    -13.07572905
  H     12.82333199      4.18665658    -11.47474890
  H     15.17176028      8.17419905    -16.89501484
  O     13.76905859      7.34498880    -12.62980285
  H     17.50007752      7.00591979    -10.49329571
  H     15.77570534      7.44302220    -18.11761679
  O     12.43812648      6.10061943     -9.10922758
  H     16.21874829      7.72134837     -9.97592593
  H     16.12471694      3.45940881    -14.35806668
  O     18.83751343      4.97727060    -13.37613421
  H     13.89184959     10.92286376    -13.30867272
  H     16.04652616      4.96210357    -14.72077757
  O     14.34076661      4.70910511    -12.16662390
  H     12.95899235     10.37328372    -12.20162593
  H     19.38496761      5.37420267    -10.28468639
  O     15.57336414      7.33770671    -17.19193295
  H     17.12272868      2.71265390    -12.51513096
  H     18.69372816      5.34808191    -11.66617420
  O     15.51286352      4.15973416    -14.61506520
  H     17.68441325      1.55604585    -13.37821735
  H     10.41788805      7.32182439    -10.95426528
  O     18.53576591      5.45723737    -10.71117930
  H     14.88925222     10.10212592    -15.59247557
  H      9.64355631      8.17774289     -9.92169233
  O     10.52072673      7.92428004    -10.19417661
  H     13.49668440      9.60967715    -16.02966086
  H     12.05739203      8.87975406    -10.50728184
  O     12.93365987      9.22552696    -10.72968968
  H     12.13477533     10.09636196    -14.41886212
  H     13.55092673      8.88581541    -10.06964674
          69
 Energy    -248.40243700393290     
  O     12.22223770     10.83539528    -14.87981714
  H     12.22615258     10.38708314    -15.73485699
  H     17.25484023     10.58917490    -15.27648736
  O     16.01469519      6.41880239    -13.03613810
  H     12.97897593     11.43174622    -14.88579900
  H     15.46266924      7.96910216    -13.78711807
  O     17.57620874     10.31234203    -11.61069856
  H     15.31346880      6.48219844    -12.37277574
  H     14.27782480      8.33576866    -14.69432010
  O     13.17016234      7.22892373    -15.65998914
  H     16.83454711      6.74403917    -12.64091412
  H     11.51365460     10.10919152    -13.44939497
  O     14.79542087      9.17387125     -8.50408464
  H     16.67970999     10.56053733    -11.87630053
  H     10.22742000      9.97994823    -12.60164850
  O     13.94513732      6.87287600    -11.22040385
  H     17.58419752     10.30436903    -10.64516184
  H     18.06098204      7.20230230    -10.30470472
  O     15.00345023     10.86878702    -12.50294645
  H     12.61962273      7.06030506    -14.87875080
  H     17.75960336      8.12746366     -9.11368523
  O     15.24173041      6.35108854     -8.78767413
  H     12.71486461      7.85282897    -16.23412243
  H     12.54310679      6.76378761    -12.55312089
  O     17.69118413      7.79522233    -16.43730680
  H     14.83913429      8.21019230     -8.46931065
  H     11.55245200      7.84674015    -13.02457506
  O     15.71537328      5.99340456    -15.80802557
  H     14.15540572      9.38691929     -9.19605088
  H     19.15712188      9.78740636    -14.32955898
  O     19.67362390      7.93552111    -14.56519122
  H     14.30330393      6.56617309    -10.37773672
  H     18.40571225     10.63497535    -13.28347612
  O     16.42370841     10.41149841    -15.74393050
  H     13.73515152      7.80894682    -11.09754024
  H     18.86977385      7.65791496    -12.89771843
  O     14.99122096      8.72061676    -14.17012784
  H     14.86251916     11.59852073    -13.11447691
  H     18.05108285      8.57619377    -11.95422461
  O     11.12912799      9.67601046    -12.66703758
  H     14.92302163     10.06122416    -13.03894994
  H     16.42226896      9.77654870     -8.68371126
  O     17.75036743      7.20265481     -9.38992117
  H     16.16635282      6.56913290     -9.00360816
  H     17.64430088     10.50278424     -8.07211734
  O     11.91010975      6.97897415    -13.24958119
  H     15.26635450      5.62568851     -8.16979218
  H     15.60908351      8.62742225    -18.16698055
  O     18.66003649     10.60684333    -14.21545032
  H     17.00712398      7.12750493    -16.26515627
  H     15.58864034      9.89969000    -17.31393122
  O     18.31507858      7.65715641    -12.10810974
  H     17.28176703      8.65462169    -16.30544916
  H     13.87457767     10.14181828    -11.29939310
  O     17.35996210      9.99775742     -8.82910835
  H     15.86446210      5.91014726    -14.85582814
  H     12.42289359      9.63264118    -11.31818720
  O     15.08644261      9.40747774    -17.97913272
  H     14.80159010      6.29657189    -15.89090028
  H     15.31564530     11.81096339    -15.26379264
  O     13.24558526      9.58750738    -10.81544948
  H     20.50365393      7.60797394    -14.90134405
  H     14.85039836     13.28098407    -15.18514692
  O     14.65300173     12.40143081    -14.87205245
  H     19.01270108      7.79307942    -15.26521338
  H     11.88079101      9.45157201    -18.11382759
  O     12.41940823      9.40858103    -17.32777176
  H     15.91794694      9.78345048    -15.20055430
  H     13.34622597      9.42289504    -17.62261885
          69
 Energy    -248.40234153545816     
  O     11.80228159     10.43535920    -10.98273126
  H     11.43929955     11.30332493    -10.82790216
  H     13.46124163      3.29787908    -12.15671363
  O     10.43300690      4.01970236    -11.24271504
  H     12.07531310     10.40774833    -11.91845449
  H     16.12537656      6.40819767    -13.82792764
  O     17.06279236      5.36769385    -12.71005968
  H      9.70519819      3.86783339    -11.84205792
  H     15.49303003      7.83673155    -13.91020735
  O     13.95458065      5.66345231    -16.18943027
  H     11.23714876      3.79791787    -11.73539551
  H     14.14754330      6.56173759    -13.14935060
  O     14.96057091      2.85145967    -11.29559572
  H     17.10214929      4.45640368    -13.02550190
  H     12.63826139      6.89047368    -12.98912465
  O     16.90948246      9.42735665     -9.52459085
  H     16.63797776      5.34396275    -11.83994020
  H     10.40336219      7.40493713    -10.60270305
  O     10.83027494      5.97388807     -9.37820346
  H     14.08791735      6.01937329    -17.06452553
  H     10.70800196      8.84940183    -11.06775030
  O     15.35539264      9.31135786    -12.88780445
  H     14.51497529      6.18325766    -15.58890065
  H     18.35505564      6.60342978    -12.18356481
  O     11.39622135      5.15305378    -14.95924907
  H     15.64193051      2.65344895    -11.94927440
  H     18.68940744      7.13001272    -10.77977051
  O     17.90818852      6.95664807     -9.02258512
  H     15.31505368      3.57275363    -10.75923593
  H     12.64630707      6.34833692     -9.56427850
  O     14.52672361      3.18129171    -14.93040804
  H     17.31458017      9.72867702    -10.34657716
  H     13.45986822      6.51643504    -10.87065524
  O     12.78339166      3.71740980    -12.71027899
  H     15.95475425      9.44346412     -9.67947762
  H     17.29745741      1.97961922    -13.88343809
  O     15.48958842      6.95588607    -14.31191533
  H     10.33620141      5.77212573     -8.58773522
  H     16.02344636      2.82977852    -14.11301137
  O     13.37383728      6.39990718    -12.59749499
  H     10.66379158      5.24821304    -10.00475423
  H     16.63884410      5.75521392     -9.66891408
  O     10.24242289      8.03884943    -11.31022675
  H     14.95826748      9.21805560    -12.01018705
  H     15.11451715      5.69318574     -9.94962188
  O     18.84185652      7.29655893    -11.71826307
  H     16.26446538      9.60171441    -12.73976572
  H     18.36283876      8.93938196    -12.06545231
  O     13.52334180      6.56307850     -9.90154090
  H     12.20047837      5.33105939    -15.46643517
  H     18.72784794     10.39208834    -12.45629519
  O     16.79257318      2.70549561    -13.52782957
  H     11.65212825      4.49252199    -14.30890099
  H     13.41161363      9.69914306    -10.40734642
  O     15.95773144      5.25814330    -10.13928291
  H     18.38764786      6.94892624     -8.19858062
  H     13.98971095      8.30548999    -10.04617481
  O     18.00900877      9.84270477    -12.15633325
  H     17.53305113      7.85050604     -9.12145699
  H     13.61640760      9.90053729    -13.50273898
  O     14.23451851      9.20867806    -10.29124821
  H     13.86117983      3.23951902    -14.23366154
  H     12.20912848      9.30756112    -13.80251955
  O     12.67508112     10.11050085    -13.52759613
  H     14.38316948      3.95272605    -15.49163748
  H     10.74489858      7.75200456    -13.01185688
  O     11.27132797      7.70121075    -13.82588569
  H     12.98023849      4.66741651    -12.69596725
  H     11.09674606      6.85949178    -14.26711841
          69
 Energy    -248.40231552964593     
  O     11.66365433     10.75932257    -14.40219208
  H     12.30568542     10.48620976    -15.07211143
  H     15.90261098      6.67925720    -15.11366654
  O     15.93393534      7.20223436    -13.40577612
  H     11.96966169     11.60626908    -14.05932015
  H     18.89618094      8.17860853    -13.41294211
  O     18.24606232     10.15919432    -10.94922663
  H     15.21634130      6.91880456    -12.82470730
  H     18.72644252      8.51005879    -14.92914984
  O     16.84064593     11.86735825    -14.53785763
  H     16.72594146      7.29013490    -12.85758217
  H     14.59533120     13.22971996    -16.15560042
  O     13.07032552      7.07726161    -16.36713689
  H     18.57996712     10.71318256    -11.66445788
  H     15.51726441     12.99167882    -14.95273811
  O     15.00026353      8.77077388     -8.97079460
  H     17.52741684     10.64149131    -10.52477197
  H     14.59671382      9.81577706    -14.49109649
  O     13.98213673      6.54527421    -11.55374243
  H     16.33543382     11.11962505    -14.18340397
  H     15.49392113      8.93046189    -13.58707876
  O     14.12165004     11.30119842    -11.68782799
  H     17.71996009     11.81902887    -14.14610479
  H     11.06026211      9.54524156    -13.33376065
  O     16.23097386     10.46752726    -16.93476914
  H     12.77738836      6.88975982    -15.45719518
  H      9.81406500      8.89438850    -12.68520881
  O     16.21754094      6.47600743     -9.77118166
  H     12.46188593      6.62876542    -16.94833353
  H     17.57902633      7.07706562    -11.02040096
  O     17.92210009      8.18160013    -16.62914801
  H     14.14214655      8.82441494     -9.41063245
  H     18.14617445      8.46268805    -11.40472127
  O     15.85684210      6.55594857    -16.07446615
  H     15.41448947      9.63271124     -9.09710392
  H     11.67443652      7.37270250    -13.47282171
  O     19.17807897      8.77259196    -14.11768679
  H     14.67925494      6.34030451    -10.91850999
  H     12.81440023      6.42208624    -13.07130227
  O     14.69782429     13.43372997    -15.22774149
  H     13.59259365      7.38618821    -11.27218233
  H     19.31728415     10.42701705    -13.65204279
  O     15.16352176      9.82912104    -13.70819819
  H     13.62821327     12.00170737    -12.12921012
  H     20.19487365     11.67753240    -13.40172006
  O     10.76544432      8.84559680    -12.72261383
  H     14.51573115     10.75528763    -12.38806457
  H     15.93604901     12.16197973     -9.18505268
  O     18.05314699      7.54700337    -11.71643797
  H     16.81709237      9.70002186    -16.92677477
  H     15.32581083     11.43048668    -10.40468187
  O     12.25283231      6.67819276    -13.81249755
  H     16.55685709     11.03599105    -16.22530198
  H     13.22472157      9.82288802    -11.06765213
  O     19.30230091     11.34984703    -13.33486517
  H     15.84728327      7.30652636     -9.42088984
  H     12.01412990      8.91209579    -11.32870328
  O     15.99162422     11.36073375     -9.69952140
  H     16.38849280      5.91462582     -9.01924515
  H     12.34301117     13.99204741    -13.18866222
  O     12.81114846      8.99356198    -10.78979511
  H     17.18794639      7.55625586    -16.48997235
  H     13.46903296     13.31101485    -14.00117172
  O     12.79314171     13.16133343    -13.31629224
  H     18.47361274      7.80717388    -17.31151230
  H     13.48662841      8.88083377    -16.27374054
  O     13.69021303      9.80459396    -16.07668880
  H     14.92623027      6.65759600    -16.30102685
  H     14.52761434     10.02624552    -16.51107176
          69
 Energy    -248.40230161144899     
  O     12.87787491      2.98922321    -12.67287441
  H     12.68126060      2.07129728    -12.89784564
  H     20.00168655      4.64378775    -13.70667522
  O     13.02741174      4.43139669    -15.06820298
  H     12.94529688      3.46587877    -13.51338466
  H     13.08815823      8.65421670     -9.65163495
  O     15.59099266      2.66027115    -11.98321626
  H     12.35904354      5.10228621    -14.88264990
  H     12.90367397     10.18155853     -9.46459149
  O     18.51976140      5.97419412    -10.78584965
  H     13.88223492      4.88247852    -15.04088023
  H     14.75618799      7.12978617    -12.01016513
  O     13.63888235      8.04903153    -14.62550664
  H     15.83301180      3.22356598    -11.23570109
  H     13.79185206      5.91980353    -11.85770833
  O     13.57666016      1.82468993    -16.00383523
  H     14.65039048      2.80822600    -12.15255407
  H     11.70068546      5.84446412    -12.40830145
  O     12.74701536      0.36457029    -13.66512900
  H     18.81680887      5.59774363    -11.62287262
  H     12.20676043      4.49936942    -11.81704765
  O     17.40572815      8.37498446    -11.55945079
  H     17.77887122      5.42718579    -10.49434349
  H     16.55901597      0.91747586    -16.64386853
  O     16.02000558      8.48579358     -9.03546015
  H     14.31646801      7.42875095    -14.91386191
  H     15.29681244      1.52483351    -15.98617206
  O     15.46740018      5.75976008    -14.63797494
  H     14.01494512      8.50896823    -13.86047596
  H     10.63681281      6.98401209    -14.48431699
  O     17.82056342      7.46080789    -14.16155604
  H     13.30483801      2.73633739    -15.83545127
  H     12.16280547      7.17625205    -14.30677083
  O     19.16961413      5.02244105    -13.43273715
  H     13.16012248      1.28871229    -15.31761108
  H     15.67161369      5.22750014    -10.86342790
  O     13.47727881      9.52545630     -9.84994150
  H     12.28401266     -0.45377890    -13.50937352
  H     15.76708146      5.01420124     -9.34145888
  O     14.70881118      6.16520702    -12.03531373
  H     13.69262273      0.18999169    -13.50776048
  H     16.85998184      2.77057591    -14.85935620
  O     12.05094618      5.43100484    -11.60778162
  H     17.58227014      8.26977407    -12.50539004
  H     16.55379719      3.21314786    -13.40420271
  O     16.24492249      1.34525139    -15.85191064
  H     17.82251465      7.59324619    -11.16503094
  H     15.61618149      0.93067769    -12.72301462
  O     11.42024468      6.56979762    -14.13243635
  H     16.58397042      8.54209657     -9.81629832
  H     15.83975359      0.43634587    -14.16436475
  O     16.08756919      4.67198304    -10.18431609
  H     15.22307771      8.99029799     -9.24082932
  H     12.32067602      6.41419567    -10.01299155
  O     17.00926987      3.47649713    -14.21823739
  H     15.22062115      5.90080205    -13.70828191
  H     13.35498257      6.57882930     -8.86539073
  O     15.43985847      0.19101300    -13.32142516
  H     16.05142624      4.98932905    -14.64313198
  H     15.47291334      6.96975212     -8.35217049
  O     12.61976359      7.01211036     -9.31675469
  H     17.01874483      7.03837749    -14.48610562
  H     15.19760638      6.10520626     -7.09948988
  O     15.05589713      6.14518037     -8.04168491
  H     18.41557878      6.72745936    -13.95758897
  H     14.29748415      9.27159737    -11.47519611
  O     14.78411485      8.95195741    -12.24607413
  H     18.47447643      4.41453405    -13.73122896
  H     15.72154598      8.90791693    -12.00647472
          69
 Energy    -248.40209205840222     
  O     14.21139494      9.11054344    -10.51363823
  H     13.94768870      9.72109660    -11.21513905
  H     18.40300618      4.72939452    -12.96403827
  O     12.93011251     10.32989156    -16.33874081
  H     13.47840606      8.49313839    -10.38101751
  H     11.96814493      6.89379816    -11.23640175
  O     16.40052776     11.00953201    -13.31192014
  H     12.73684633     11.09575853    -15.78364320
  H     11.75622430      6.70840562     -9.72613253
  O     14.25422607      4.98804128    -13.06729329
  H     12.86307797      9.55853808    -15.76137644
  H     18.59909979      8.55334298    -15.13981554
  O     17.21823437      6.54144222     -8.72974648
  H     15.48225017     10.81127063    -13.08027609
  H     19.27009412      8.30388611    -13.78032297
  O     15.45646241     12.81219461    -15.26882833
  H     16.90172409     11.05512106    -12.48977883
  H     13.76833408     12.77315081    -14.80403561
  O     16.11158925      7.64827219    -11.96389333
  H     14.81731614      4.91058889    -12.28580487
  H     12.38426109     13.40087105    -14.50369208
  O     13.67971922     10.50192200    -12.83331829
  H     14.74379144      5.51667412    -13.70829345
  H     13.90899280      7.84120371    -14.54565836
  O     18.74790364      8.58854965    -12.00230494
  H     17.44545261      6.28117309     -7.84051799
  H     12.50519951      7.62268041    -13.93385318
  O     17.84471826     10.99341299    -10.85429378
  H     18.04231692      6.50636223     -9.24986812
  H     15.37584909     10.91461556    -18.31638167
  O     18.09761264      5.60369590    -14.40768275
  H     15.54607725     12.27591453    -16.06661701
  H     14.49644704     10.62515174    -17.07526450
  O     18.51984652      4.28225544    -12.10566672
  H     15.92732740     12.33033675    -14.57497287
  H     12.66634468      5.66275422    -12.95497437
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  H     15.47938668      8.17103922    -11.45490143
  H     11.15687851      5.58634770    -13.29559916
  O     19.31012156      8.05725009    -14.71491553
  H     16.12843767      6.76387869    -11.57474512
  H     16.35757060      5.45306118    -10.04998563
  O     12.85276327     12.57176388    -14.53741389
  H     13.29861502     11.26452159    -13.28531129
  H     16.92939715      4.69757628    -11.28022813
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  H     13.43771574      9.72131026    -13.35218955
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  H     18.67239974      9.47051870    -11.62149133
  H     19.31875493      7.18979156    -10.93412955
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  H     16.04006117      7.79298153    -15.06177624
  O     19.36038130      6.40016220    -10.37644199
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  H     16.80376318      8.44758857     -8.93324481
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  H     15.66314745      9.35095130     -9.43840694
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  H     17.20894098      5.91136075    -14.60697993
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  O     16.87551651      9.33943438    -15.51173728
  H     18.94098811      3.44670971    -12.28706925
  H     16.46404562      9.82001372    -16.23980927
          69
 Energy    -248.40195717893667     
  O     -2.38073981      4.43628955      4.36093780
  H     -2.19184787      4.04004649      5.21970177
  H     -0.03651310     -1.17527902      2.23626250
  O     -2.56745057      2.74772103      2.20333040
  H     -1.54966210      4.83556268      4.07391184
  H     -3.28658713     -1.23445908      2.62169679
  O     -1.36960324      3.23070510      6.78165722
  H     -2.68886402      3.35041228      2.95173100
  H     -3.05611676     -1.81492491      1.21593349
  O      1.56462391     -2.68746212      0.04077821
  H     -1.67969667      2.92745305      1.86823311
  H     -1.27716016      1.50551985      6.10697541
  O      0.21953510      0.62264091     -1.61170626
  H     -1.41878495      3.56943272      7.67131072
  H     -0.20474142      0.86887672      5.18816760
  O     -1.98370917     -0.83377905     -0.30625212
  H     -0.47457831      3.43095776      6.45027495
  H      1.35471096     -2.38605205      3.53051304
  O     -2.71944562      0.29890860      3.44165909
  H      1.41723632     -2.76565261      0.99265482
  H      0.04257612     -3.10596587      3.09365263
  O     -0.95829060      3.20289292     -1.39437918
  H      1.99660852     -1.83759656     -0.10194822
  H     -0.71715364     -3.74046934     -1.94733611
  O      2.60573926     -0.04815645     -0.52122327
  H     -0.53205121      0.08695907     -1.33609677
  H      0.06348911     -3.00433559     -0.84223638
  O     -0.53790905     -2.02280587      5.93664056
  H     -0.09961223      1.53287647     -1.63141531
  H      1.35331142      2.79854076      5.26349424
  O     -1.64676489     -3.53031365      3.73327333
  H     -1.68384032     -1.66360799     -0.70944768
  H      0.86574948      4.20303679      4.82793267
  O     -0.46498638     -0.35840045      1.94778700
  H     -1.40876760     -0.66594085      0.45677915
  H      0.83846605      0.74623314      1.78764062
  O     -3.27842320     -2.06304559      2.11798192
  H     -2.77590016      1.16448570      3.01171959
  H      2.16468050      0.92748695      1.02667129
  O     -1.06398465      0.70997459      5.60397764
  H     -2.25853690      0.43365419      4.28061911
  H      2.65802298     -2.04776473      5.72292152
  O      0.84157844     -2.67135224      2.76434447
  H     -1.76971125      2.73988828     -1.11279542
  H      1.13618603     -1.82983071      5.52234660
  O     -0.81000478     -3.08447704     -1.26244427
  H     -1.20962877      3.80004857     -2.09343846
  H      1.67210720      1.19501333      3.57274385
  O      1.03322745      3.64640518      5.59913174
  H      1.77417047      0.19201501     -0.97066948
  H      1.83714524      0.18836908      4.74299689
  O      1.63196077      1.30704521      1.73496069
  H      3.30184235      0.03713247     -1.16732026
  H      0.17101582      4.65514698      2.55891215
  O      2.01514681     -1.65973914      5.13529632
  H     -0.86458561     -1.11212659      5.93467245
  H      0.51678835      6.06948639      3.07485674
  O      1.53196133      1.07685572      4.52211439
  H     -1.04344579     -2.50782023      5.27364452
  H     -2.83842738      0.85601754     -0.40356957
  O      0.21343153      5.20964265      3.35567894
  H     -2.01643721     -4.40058133      3.85936930
  H     -3.09674908      2.09525520      0.49997084
  O     -3.04190063      1.80051983     -0.41892250
  H     -2.25600799     -3.05490749      3.14208985
  H      0.64952921      2.77206957      1.36238855
  O      0.01330479      3.48864310      1.22637951
  H     -1.21495992     -0.17913959      2.52961694
  H     -0.23680528      3.48590274      0.29406136
          69
 Energy    -248.40194988205221     
  O     13.66805616     10.64486943    -10.80646090
  H     14.11337241     10.25230598    -10.04560145
  H     18.74819923      4.23697963    -14.87255500
  O     15.25954654      7.76243938    -15.15654644
  H     14.38185312     10.87711505    -11.41608189
  H     18.21998614      8.41194585     -9.98306155
  O     14.92171140      4.70651448    -11.88339978
  H     14.32049562      7.98420657    -15.08242020
  H     18.14722162      9.91015445    -10.36855517
  O     19.06503480      6.77501542    -10.48676310
  H     15.71995765      8.59329108    -15.33846579
  H     15.86775047      7.91329588    -13.47871840
  O     16.24699144     10.37678116    -15.22143542
  H     14.05590122      4.28712841    -11.95421287
  H     17.24133110      7.83945301    -12.77255380
  O     10.98959319      6.16103883    -12.56969915
  H     14.79990349      5.50883367    -11.35311103
  H     13.88870535      4.47010574    -15.06422965
  O     12.64886643      8.59340807    -14.77007654
  H     18.53384321      5.99486466    -10.72720762
  H     12.72402895      3.97676255    -14.18495624
  O     14.71998368      7.12414445    -10.64085036
  H     19.76561821      6.46198189     -9.91971616
  H     13.20493823     10.11352886    -15.66411518
  O     18.90731082     10.06128688    -14.14415617
  H     16.11611001     10.63384309    -14.29689615
  H     13.04477688     11.57627689    -16.10204306
  O     11.15868396      6.32405149    -15.43465751
  H     15.43732109     10.65028124    -15.67578976
  H     16.74712569      4.53771306    -11.48146411
  O     18.97849286      7.39634722    -13.22903359
  H     11.41360387      6.97707961    -12.27317904
  H     18.01384627      4.54096292    -12.35308838
  O     18.34890521      4.82899111    -14.24050670
  H     10.87369488      6.25541273    -13.52313024
  H     15.38949549      5.02593649    -13.63773831
  O     17.80048875      9.25029488     -9.75576602
  H     12.07802087      7.87856930    -15.07941747
  H     15.51519572      6.01099865    -14.85508059
  O     16.30960846      8.04134377    -12.62853765
  H     12.62030849      8.58800781    -13.80224941
  H     11.80350489      4.63545759    -12.32656866
  O     12.93873556      4.30253522    -15.06852554
  H     14.80887353      7.71767895     -9.88638338
  H     11.74836941      3.14749845    -11.90361444
  O     13.65690983     10.84414902    -16.11394241
  H     15.34955729      7.44613797    -11.30809739
  H     19.21565568     11.95012079    -11.59012447
  O     17.70848530      4.62408965    -11.44166921
  H     18.11360400     10.15404425    -14.68553402
  H     18.81355666     10.82221642    -12.56833909
  O     15.64479937      5.09383430    -14.57054885
  H     19.01776524      9.11767826    -13.96411734
  H     12.77706396      9.27896837    -11.62183802
  O     12.30385557      3.79933741    -12.32222457
  H     11.80270747      5.59467595    -15.39129502
  H     13.26891004      7.83569840    -11.56754301
  O     18.64293214     11.19381307    -11.68421913
  H     10.54093518      6.10601938    -16.12718922
  H     16.16642478      9.26456978     -9.13289040
  O     12.61237755      8.40114252    -11.99495490
  H     19.19761737      7.22162486    -12.30385957
  H     15.25638839      9.33093786     -7.88529361
  O     15.24241803      9.20491714     -8.83022207
  H     18.85328278      6.53948702    -13.65710077
  H     16.04285749      9.84076807    -12.40949497
  O     15.95256371     10.80536928    -12.45125103
  H     17.40175536      4.87303957    -14.45676548
  H     16.79021533     11.15264253    -12.12216368
          69
 Energy    -248.40182494609007     
  O     14.21205394      6.25776479    -13.85370681
  H     13.44272055      6.72525014    -13.50486325
  H     18.86007157      9.81723365    -13.68513522
  O     16.71956320      6.80636058    -10.26395431
  H     14.10304171      6.15877541    -14.81082801
  H     15.41132377      7.57460757    -13.73874692
  O     18.74708507      8.01163659    -13.46021841
  H     16.38126308      7.67385047    -10.53503079
  H     15.93245225      8.80729350    -14.51832706
  O     13.30742896      8.90786991    -17.20738741
  H     16.15743241      6.51050039     -9.53771222
  H     13.37759852     12.50035485    -13.32965187
  O     12.76459840      7.70047799     -9.20674900
  H     18.98893969      7.85179593    -12.53821547
  H     14.52101524     11.53422858    -13.69567532
  O     12.13301891      7.72359475    -12.74546214
  H     17.77708798      8.04002420    -13.50886639
  H     14.24271408      4.82988794     -9.75402748
  O     15.94436563      9.28855246    -11.13342691
  H     12.75516978      9.22573725    -17.91591339
  H     14.62523119      4.38626169    -11.17968595
  O     16.94643365      6.69298431    -16.85846362
  H     12.86878411      9.15778734    -16.37324837
  H     12.67433737     10.31038283    -14.36001189
  O     11.53799198      5.72699664    -10.88668879
  H     12.21367316      7.08900197     -9.71220803
  H     12.07095349      8.89838446    -14.18913606
  O     17.86619464      5.54478390    -14.55957731
  H     12.84815197      8.49685827     -9.74492007
  H     18.41998782      7.27181592    -10.46833873
  O     14.13406685      6.24617277    -16.58717172
  H     12.52541636      8.39672757    -12.17006169
  H     19.94701266      7.16265916    -10.24896373
  O     18.79094218     10.78498306    -13.64247190
  H     11.78666001      7.03059127    -12.16946523
  H     16.35205829      5.59472461    -11.67794442
  O     16.01340032      8.32847041    -13.68528379
  H     16.73407651      9.81590391    -10.95248421
  H     15.38972061      5.35857470    -12.88341589
  O     13.62312601     11.57806826    -13.32439658
  H     15.94811305      9.05819741    -12.07585334
  H     14.74299584      5.95005147     -7.44965132
  O     13.89602061      4.40618961    -10.54917412
  H     17.48432608      6.36096227    -17.57285842
  H     14.08509987      6.71733709     -8.62136721
  O     12.24913066      9.58949451    -14.84019710
  H     17.25437885      6.24347049    -16.05225189
  H     16.98020880     11.32151175    -14.14189799
  O     19.27818411      7.65676313    -10.71586046
  H     10.80861001      5.12583518    -10.76284300
  H     16.07386858     10.85841325    -15.29085361
  O     16.09756229      4.95388006    -12.35520540
  H     12.35226834      5.19517669    -10.83543940
  H     14.21787192      9.57190742    -11.01992616
  O     14.78667036      6.08081918     -8.39282296
  H     18.37829357      6.27633743    -14.19242071
  H     13.24432265     10.45034410    -11.80401073
  O     16.09866271     11.43502114    -14.51467964
  H     17.32969980      5.20152479    -13.83405973
  H     18.62711165     10.70388994    -11.72552775
  O     13.27111823      9.72948315    -11.16406771
  H     13.75886270      7.08599950    -16.88041351
  H     18.86958994      9.59031632    -10.68571781
  O     18.42488522     10.43649735    -10.81976558
  H     15.07899549      6.30123797    -16.77921590
  H     15.04828943      9.23657942    -16.69466501
  O     15.94180945      9.30681833    -16.33125439
  H     19.52855232     11.13266329    -14.13869151
  H     16.39165168      8.48328849    -16.56132635
          69
 Energy    -248.40149688504249     
  O     17.65805207     10.86304672    -17.72017303
  H     16.90771645     11.43007477    -17.51455496
  H     18.00789939      6.08279996    -12.81514485
  O     15.09880509      6.41169883    -14.05417223
  H     18.44111902     11.21872666    -17.27112599
  H     17.21272207      7.99825773    -16.03391704
  O     17.89685574     13.83708685    -11.69192204
  H     15.54344452      6.25641417    -14.90035672
  H     17.44011014      9.48756256    -16.48714033
  O     19.98439113      8.92178474    -14.79820362
  H     15.73843909      6.16148593    -13.37683019
  H     15.27547235     12.17619924    -15.90526636
  O     15.48883487      7.53305625    -18.71048090
  H     18.10324457     13.48078786    -12.56776711
  H     14.88303684     12.99829706    -17.15347919
  O     16.44746480     10.92099580    -10.14071968
  H     16.94551293     13.71503399    -11.59165672
  H     16.97965151      7.83069882    -11.88523723
  O     15.16762087      9.11230923    -14.23270052
  H     19.95360408      9.33912602    -13.92684976
  H     16.20743673      8.93387238    -12.64325389
  O     18.19205020     12.25586631    -13.99164976
  H     19.06420175      8.91905232    -15.11260707
  H     14.40296067      9.24595154    -16.13998544
  O     19.28658147      6.22466647    -13.97301781
  H     15.06265400      8.23015923    -18.18205821
  H     14.58860908     10.38359853    -17.14965807
  O     19.07240344      5.06910746    -16.57650158
  H     14.87018540      7.29322066    -19.39550595
  H     19.74702160     12.27388751     -9.54808940
  O     16.56827422      6.31210413    -16.44507037
  H     16.50922564     10.09674821    -10.64204789
  H     18.76422327     12.68828246    -10.66981426
  O     17.26418834      6.05073098    -12.18647891
  H     17.35699035     11.20594420     -9.98962427
  H     18.41188626      9.63415354    -12.23369550
  O     17.41018980      8.89346711    -15.72528950
  H     14.93587100      8.17888145    -14.10617768
  H     19.35208472     10.70036215    -11.61738574
  O     15.26825780     12.17042181    -16.87654492
  H     15.99583540      9.11311763    -14.74406699
  H     15.56311180     12.15435963    -10.99487809
  O     16.82498323      8.78407158    -11.91814597
  H     18.53126054     11.51575244    -13.46766034
  H     14.44063849     13.21899798    -11.02522342
  O     14.36938985      9.44635603    -17.08095498
  H     17.24646484     12.10347142    -14.11114674
  H     20.31893159      7.99596797    -16.60466344
  O     19.13995142     11.92532160    -10.19510491
  H     19.24869404      5.72538094    -14.79788946
  H     19.55363723      7.80582908    -17.95083636
  O     19.20343064     10.16445958    -12.40638061
  H     19.66445390      7.08251116    -14.19698287
  H     15.18051449     10.92422675    -14.08193983
  O     15.16690732     12.86477186    -11.53151713
  H     19.49639286      4.31054199    -16.96687005
  H     15.21811327     12.25667147    -13.26946504
  O     20.17390955      7.38618077    -17.33373506
  H     19.53613387      5.85918835    -16.91340791
  H     19.29833569     11.96310324    -15.43751468
  O     15.38344010     11.86904882    -14.13880286
  H     16.20049406      6.55447038    -17.30483718
  H     20.14537287     10.73761691    -15.79810751
  O     19.79819361     11.55827934    -16.16179229
  H     17.36695950      5.78686086    -16.58291858
  H     18.08069275      9.39302368    -18.73018330
  O     18.22082063      8.46897217    -18.98196829
  H     17.44819324      5.34181900    -11.57631809
  H     17.33712253      8.08891481    -19.03165397
          69
 Energy    -248.40146080841191     
  O     19.02075164      9.69124118    -15.02709942
  H     18.54391720      9.94662234    -14.22887054
  H     20.69813110      2.66737464    -12.92611511
  O     21.68165064      7.60589949    -11.28374337
  H     19.74299207      9.11733537    -14.73263641
  H     16.01466264      9.29483673    -13.84788178
  O     15.72464284      9.21534324    -10.51372633
  H     21.02197774      8.29106026    -11.06940097
  H     15.85851918      8.88675313    -15.33238981
  O     12.89637216      9.99984645    -13.70709607
  H     22.48819389      7.85217761    -10.83879090
  H     17.95939806      6.60608402    -13.89838590
  O     17.15192778      8.58046774    -16.63585389
  H     15.47995236      8.28882434    -10.64498529
  H     19.17151251      7.27610526    -13.23939216
  O     11.89267217      7.40724729    -13.03362542
  H     14.89024829      9.70362523    -10.52073802
  H     14.84230756      5.70749639    -14.09879456
  O     17.51935875      5.76176218    -10.76419720
  H     13.75577247      9.70032794    -14.04338989
  H     14.83983389      7.27290745    -13.99223036
  O     14.86234727      6.55980999    -10.88077583
  H     12.62838214     10.73283010    -14.25652549
  H     17.13680881      8.62667451     -9.38245345
  O     20.32628429      5.11513198    -10.94738556
  H     17.22138071      8.90020032    -17.53129621
  H     17.84255351      7.26573406     -9.47678075
  O     17.34962298      3.67915428    -12.79160307
  H     17.87421410      8.99772582    -16.12980719
  H     19.55637178      5.50419852    -15.46097070
  O     20.79305100      7.80069382    -13.94598093
  H     12.68278275      6.92839309    -13.31997195
  H     20.41047350      4.65771300    -14.49783199
  O     20.15720089      3.44000977    -13.06748751
  H     12.03856934      8.31759977    -13.32014841
  H     12.74363750      9.26401329    -10.54419366
  O     15.37337278      8.98890860    -14.50398678
  H     17.79463826      6.23252655    -11.56944689
  H     13.01276983     10.15299261    -11.77249980
  O     18.24737232      7.03695553    -13.08420208
  H     16.57090116      5.92434224    -10.66209219
  H     19.10490358      9.73195076    -11.42024777
  O     14.47427801      6.45970721    -13.62019847
  H     13.98448393      6.73574067    -10.51994925
  H     19.17495605      8.99705259    -10.07558533
  O     17.92751078      8.14762172     -9.09799408
  H     14.74847535      6.47282111    -11.83907035
  H     16.26962772      3.98667770    -14.09615289
  O     20.46134619      5.36774182    -15.14997950
  H     19.42796891      5.31421983    -10.65912994
  H     15.29860974      3.46904138    -15.18931972
  O     13.14393084     10.09891444    -10.81810040
  H     20.80037867      5.95461076    -10.99930821
  H     17.45694011      6.80100464    -16.09534448
  O     19.72460690      9.38411935    -10.77511974
  H     17.32819698      4.23200792    -12.00298997
  H     16.98469196      5.40075476    -15.55911790
  O     15.69855289      4.25993264    -14.83870123
  H     18.28446148      3.50319151    -12.96073738
  H     11.45360217      7.08801196     -9.84532100
  O     17.73785657      5.99876374    -15.63841311
  H     20.84224809      6.95010119    -14.41103847
  H     11.98741605      7.34889038    -11.27560696
  O     12.21624802      7.39236388    -10.32982348
  H     21.28569018      7.72602491    -13.12027569
  H     17.68874540      8.69347035    -12.77513619
  O     17.39519170      9.61122472    -12.64905905
  H     20.29018939      4.01984065    -12.29569422
  H     16.83101715      9.61384596    -11.86125824
          69
 Energy    -248.40139993364892     
  O     10.93567243      8.79537162     -8.69792696
  H     10.12080256      8.62146419     -8.23257401
  H     13.36504935     12.27839644    -13.72447854
  O     13.37047446      9.50661557    -16.80116148
  H     10.73867648      9.48394063     -9.35594428
  H     16.80152336      6.95114535    -13.24739955
  O     11.95603351      7.22110580    -10.93667323
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  H     15.68644821      7.99475060    -13.42790163
  O     14.42390460      8.86862705    -14.35891486
  H     13.00211077     10.39858439    -16.80110091
  H     12.29841374     15.52823374    -11.79517324
  O     12.09383461     12.07783486    -16.57101000
  H     11.54887891      7.61777296    -10.15947730
  H     12.13201775     14.16193816    -11.09400159
  O     11.84102154      8.35178825    -13.43760421
  H     12.91076584      7.28492067    -10.78738186
  H     15.09815208      7.91110479     -9.73676357
  O     15.72226564      8.35791399     -8.05429611
  H     14.22659789      9.08119821    -15.28245064
  H     15.28471991      7.72028767    -11.28297339
  O     13.49401857     10.39285828    -10.89072379
  H     13.57568410      8.63975651    -13.95220888
  H     16.85189690     11.55113618    -10.75034060
  O     13.39728209      9.62636788     -7.46065035
  H     12.17937813     12.83301449    -17.14803773
  H     17.83259277     12.20929008    -11.74576567
  O     15.05184237     13.98798586    -10.45181003
  H     12.25714902     12.39800693    -15.66888099
  H     11.19764184     11.53482004    -13.50956799
  O     10.77836007     10.69058774    -10.65104584
  H     11.40069882      9.20705732    -13.34531163
  H     10.09688462     10.71368425    -14.22673698
  O     12.54244936     12.75207939    -13.92379586
  H     11.80976532      7.90534606    -12.57938583
  H     13.81449707     11.47131612     -9.50099286
  O     16.27563326      7.58866285    -12.77120364
  H     16.05508916      7.85295496     -7.31769727
  H     14.38178809     12.87647389     -9.20215508
  O     12.56842887     14.61410019    -11.83794969
  H     14.88551405      8.76480515     -7.76312227
  H     15.58903162     11.52098469    -12.75061192
  O     14.63485831      7.86981484    -10.58180975
  H     13.89166711     10.76415637    -11.68749897
  H     14.78732599     10.48133846    -13.63042180
  O     16.90749016     12.03486501    -11.59328823
  H     13.87017026      9.51146198    -10.76424423
  H     10.12284692      9.53262456    -16.13795913
  O     10.53349679     10.84609821    -13.37352750
  H     12.55808549      9.33040408     -7.83497208
  H     10.49314580     11.01497363    -16.32812090
  O     13.98834238     12.09792693     -8.77784988
  H     13.49867197     10.55583823     -7.70000065
  H     16.46685925      9.96155786     -8.81610656
  O     14.74705870     11.34103035    -13.18808685
  H     14.33929827     14.23325433    -11.05376510
  H     15.80362117     11.34075131     -8.83548718
  O      9.80087933     10.43129122    -15.99190178
  H     15.69041409     13.47507939    -10.96051396
  H     11.07206035     12.42462141    -10.01854440
  O     16.57399253     10.85691320     -9.15668311
  H     11.73680669     10.55616738    -10.74238541
  H     12.24984274     12.96084282     -9.19427161
  O     11.50617390     13.24209830     -9.73950262
  H     10.44130711     10.74036691    -11.55485299
  H     10.83535693      6.99469513    -16.22823835
  O     11.12161414      7.88842852    -16.05862085
  H     12.48582593     13.47373907    -13.28563787
  H     11.35107119      7.93343005    -15.11478659
          69
 Energy    -248.40117162588905     
  O      0.13201210      0.89076577      3.58514383
  H     -0.55178739      0.20215592      3.66515236
  H     -5.23164476      4.75998827      4.82529676
  O     -1.00371892     -0.59247312      7.45323770
  H     -0.09430662      1.37117333      2.77843193
  H     -4.30193019      2.42691995      5.41405265
  O     -3.13442859     -2.59564349      0.72393317
  H     -0.69814391     -0.70319827      8.34988579
  H     -3.01656816      1.62725013      5.72747114
  O     -0.98947604     -0.80740651      0.81294510
  H     -0.50606692     -1.22697030      6.90722699
  H     -2.97751075      4.38941700      1.99589483
  O     -0.91983322      2.02244366      1.22703285
  H     -2.43744742     -1.93208044      0.60856476
  H     -3.93515627      3.27995745      1.52502058
  O      1.87572417     -1.25251468      3.74680932
  H     -2.67087005     -3.39322146      1.00367536
  H     -2.80781993     -0.98806350      6.97993563
  O      0.28747512     -2.35635426      5.86441276
  H     -0.82724745      0.13329988      0.68838848
  H     -3.98456217     -0.18662357      6.40445988
  O     -1.77583296     -3.58548627      4.42982962
  H     -1.26016043     -0.89648922      1.74240865
  H     -2.65915328      4.37428630      4.94339338
  O     -1.38078654     -4.58590081      1.83393630
  H     -1.86286108      1.86275678      1.06576878
  H     -1.43428568      3.54503657      5.37307414
  O     -3.64388853      1.56491293      0.87007991
  H     -0.85685195      2.95247798      1.47825753
  H     -2.68351292     -0.57453540      3.41810789
  O     -1.07242478      4.63740017      2.27071504
  H      2.79720701     -1.00799229      3.79137237
  H     -1.83962581     -1.84014950      3.83051843
  O     -4.55169076      4.11016830      4.66958742
  H      1.37256051     -0.42518292      3.66915957
  H     -4.19981974     -1.37821606     -0.26560835
  O     -3.98023758      1.55195207      5.66651138
  H     -0.36731950     -2.90785986      5.41401568
  H     -5.54910072     -0.79720159     -0.69156556
  O     -3.89691940      4.10006210      2.03554489
  H      0.89847526     -2.04950910      5.18467387
  H     -4.19263241     -2.52227913      5.82659738
  O     -3.71088109     -1.07869665      6.65207245
  H     -2.68546716     -3.65789957      4.74786901
  H     -4.99096446     -3.84772111      5.86319275
  O     -1.69482134      4.35062805      4.90851762
  H     -1.70815212     -4.04828966      3.58509814
  H     -4.90735279     -2.70580363      3.59453792
  O     -1.79681967     -0.95691286      3.44949243
  H     -1.15222164     -5.44933114      1.50010329
  H     -4.46420058     -2.42503203      2.12800795
  O     -4.61640955     -0.59338871     -0.64896729
  H     -0.58076353     -4.03385495      1.75524825
  H      1.17490588     -2.42723935      2.36886761
  O     -4.39182292     -3.33556703      5.32684146
  H     -3.95507050      0.94285575      0.20191868
  H      0.25673452     -2.13654700      1.17310920
  O     -5.12888649     -2.21148213      2.79588454
  H     -3.87454723      1.16450721      1.72394659
  H     -0.63980988      1.53939978      5.11580531
  O      0.69931849     -2.85475787      1.64790683
  H     -1.21484750      4.55134931      3.23015779
  H     -1.05557875      1.02195249      6.51335338
  O     -1.17229504      1.75390659      5.89465084
  H     -0.61026168      5.46032828      2.13534830
  H     -4.30511760      0.69509446      4.08861899
  O     -4.23793436      0.31731351      3.20376065
  H     -4.39883955      4.09035488      3.70751691
  H     -4.74154507     -0.50790809      3.13999505
          69
 Energy    -248.40104399460736     
  O     10.96867706     11.30090126    -10.76993196
  H     11.10181292     10.76057127     -9.98073343
  H     17.27393024     10.55885563    -10.30291252
  O     13.55214926      8.60399214    -16.98293534
  H     10.77786368     10.74347287    -11.53669361
  H     17.28917277      7.38531930    -12.59991924
  O     14.87122755      8.41755461    -14.52783370
  H     13.80149603      8.56456088    -17.90231671
  H     16.15178218      8.18657532    -13.26819310
  O     12.41825970     12.97424786     -8.12636137
  H     12.96149845      9.37275684    -16.88673257
  H     13.60872269     14.38045236    -12.20722522
  O     11.76116203     10.61683656    -16.60785355
  H     14.08318759      8.19942169    -14.00708960
  H     12.13545576     14.29171863    -11.75724171
  O     12.59178799      7.88010734    -13.02427536
  H     14.58059569      8.45065559    -15.44780373
  H     14.16098235      9.30799060    -10.99334657
  O     14.34493428      9.24033608     -8.25839644
  H     11.88897550     13.48698920     -8.74897140
  H     15.17793854      8.17842777    -11.31547205
  O     13.77356672     11.04692577    -11.24484862
  H     13.32090178     12.99297403     -8.47714289
  H     16.20276884     12.24247090    -13.37251733
  O     11.69257460     10.36409652     -8.19922432
  H     10.93732302     10.18890605    -16.34550414
  H     17.21976125     12.02553390    -12.24397108
  O     15.42904810     14.57913537    -11.51268823
  H     11.92312852     11.30645279    -15.95023439
  H     11.35939553     10.84831046    -13.60154179
  O     12.30809230     12.19903190    -14.34378515
  H     13.07228752      7.88989648    -12.18621734
  H     10.29937021      9.75822335    -13.91778720
  O     17.58201788     10.56965754    -11.21684039
  H     12.01611179      8.65804402    -13.03384925
  H     15.60951710     12.30286930     -9.10777036
  O     16.67052319      8.09697319    -12.45196580
  H     13.45601395      9.60515592     -8.17691546
  H     15.18303671     13.50059347    -10.04922714
  O     12.71049232     14.24490291    -12.52997902
  H     14.33826000      8.72908185     -9.07942384
  H     14.87981354     10.22493971    -14.13549212
  O     14.32503958      8.35518219    -10.89945572
  H     14.19771523     11.64945825    -10.62042824
  H     14.48013945     11.10953225    -12.91731850
  O     16.83779440     12.70924541    -12.81374914
  H     12.82686869     11.21705878    -11.18223091
  H     10.22036791      8.26999801    -15.55047886
  O     10.87952982     10.09435600    -13.22410034
  H     11.13433257     10.13735521     -7.45964133
  H      8.76880430      8.74007163    -15.81522280
  O     14.87154582     12.84768140     -9.40812829
  H     11.93933622     11.30124400     -8.08819063
  H     17.12887679     10.70815215     -7.77333068
  O     14.77478877     11.13673177    -13.84161752
  H     15.97991528     13.95320522    -12.01862635
  H     15.79009954     10.22658660     -8.37953621
  O      9.61805624      9.03390762    -15.49807340
  H     15.83486789     15.43702486    -11.60224627
  H     10.83860259     13.04099619    -10.52212671
  O     16.56822478     10.78929140     -8.54053154
  H     12.32956534     12.99246702    -13.79085845
  H     10.01317038     14.34069875    -10.37086774
  O     10.90022350     13.99247791    -10.32378108
  H     13.21004991     11.84579666    -14.31129994
  H     11.89221569      7.15760394    -14.63132190
  O     11.54350010      7.11140666    -15.53226916
  H     17.31422892      9.73246206    -11.61181899
  H     12.24175776      7.45632561    -16.10241357
          69
 Energy    -248.40101842761612     
  O     19.74262195      9.68440517    -13.88051875
  H     18.99994015      9.48008672    -14.46048653
  H     20.78715606      6.43208608    -13.04128251
  O     21.01294949      7.26185991     -9.88525090
  H     20.11386239      8.84362503    -13.57837078
  H     18.84085627      2.96382830    -11.83000463
  O     14.56185622      8.73221370    -10.94847235
  H     20.56267704      6.42187755     -9.67575145
  H     20.12673792      3.66426071    -12.30760526
  O     14.53047490     10.32536001    -15.59831078
  H     21.79339944      7.29949697     -9.33916576
  H     18.87015492      7.04322433    -12.24887833
  O     17.09110697      9.20089586    -15.04343365
  H     14.49780242      7.88488728    -11.41529495
  H     17.49353331      7.74793991    -12.20431476
  O     13.59182375      7.67115288    -16.15954013
  H     15.04468592      8.58409109    -10.12572645
  H     16.57201821      5.95241436    -14.87299270
  O     17.01497664      5.86131941     -9.72017808
  H     14.23070454     11.15987129    -15.94953569
  H     16.41371511      7.48691938    -15.06645675
  O     14.31567430      6.50778668    -12.66320617
  H     14.10858971     10.22546049    -14.72641134
  H     17.23036011      8.69427651     -8.98389666
  O     19.66933068      5.00110313     -9.40858395
  H     16.98250288      9.30816667    -14.08365013
  H     16.19488487      8.68823739     -7.83551549
  O     15.33824383      4.27082685    -11.26475537
  H     16.33410994      9.66323892    -15.42366922
  H     19.63073086      4.79247013    -14.08032506
  O     17.06958553      2.66696025    -12.55564788
  H     13.86161047      8.59808495    -16.15376298
  H     21.01684600      4.41371021    -14.65270972
  O     20.62744715      7.30165720    -12.65247260
  H     14.38113228      7.17687873    -15.89536061
  H     12.66116616      9.09163132    -13.44316104
  O     19.72217850      3.23521999    -11.54546989
  H     16.71102434      6.64368061     -9.24697479
  H     13.60818257      9.64590317    -12.37213418
  O     17.92324934      6.88579894    -12.13750604
  H     17.36062634      6.18133728    -10.56907250
  H     18.99705444      9.80073844    -10.13096673
  O     15.92348244      6.65514927    -14.99959307
  H     14.91812131      6.57371602    -13.41690489
  H     19.58610021      8.49447425     -9.55937520
  O     16.32809518      8.41791274     -8.74050543
  H     13.43395257      6.68756744    -13.01374137
  H     19.22618200     11.90019212    -11.63710619
  O     20.58147176      4.76089111    -13.87801163
  H     18.72818870      5.20595786     -9.34032175
  H     19.34538865     10.57276233    -12.42400105
  O     13.21944575      9.85082892    -13.23057782
  H     19.74426798      4.31531249    -10.08783225
  H     17.78964370      5.57050375    -13.34881614
  O     18.85637348      9.11772557     -9.46368852
  H     14.88295982      4.96829421    -11.75321886
  H     17.52916937      4.06478483    -13.64090664
  O     19.00965901     10.97271950    -11.60111327
  H     15.85202418      4.72596136    -10.58298176
  H     12.46882237      7.43779312    -14.83887548
  O     17.83856859      4.88915501    -14.03985495
  H     16.70464233      1.79482609    -12.67545363
  H     11.10710878      7.06875771    -14.19870358
  O     11.98349588      7.38263102    -13.99534145
  H     16.40628172      3.18395070    -12.06239896
  H     17.40773935     10.05836640    -11.95782021
  O     16.80041915      9.42490390    -12.35713726
  H     20.90543712      7.28010553    -11.72619611
  H     16.00406314      9.34799693    -11.81768610
          69
 Energy    -248.40089350976143     
  O     16.27904327     10.35200930    -15.42174725
  H     17.12182935      9.87527499    -15.44252895
  H     18.40520024      4.00116679    -14.76737199
  O     16.24049650     13.06703228    -15.15306593
  H     15.56472334      9.70464486    -15.49469845
  H     16.29478286      7.71163686    -10.75137977
  O     12.31341359      7.46977096    -11.27723856
  H     15.97886375     13.50010727    -15.96158772
  H     16.21821257      8.39771626    -12.11973644
  O     14.23698148      8.45817420    -15.41210036
  H     16.21053922     12.11050995    -15.32569271
  H     18.08617563      6.13666736    -16.25072564
  O     18.65934189      8.99725519    -15.21395092
  H     12.66343283      8.21466594    -10.76729919
  H     18.23802306      7.65467512    -16.45093498
  O     20.37812554     10.93910501    -14.16898739
  H     11.88318405      6.90033252    -10.64255037
  H     17.67817181     12.40353774    -10.80474096
  O     18.65333998      7.13849306    -13.14500263
  H     14.21888076      7.90088313    -14.61970783
  H     17.88963926     13.86180708    -10.33564252
  O     15.11616793     13.46361596    -12.54618984
  H     14.47660373      7.88428328    -16.15066876
  H     15.05835997      6.45253894    -18.23525772
  O     12.44569800     10.37384307    -14.45841119
  H     19.31523198      9.66404840    -14.97528686
  H     16.18968381      6.77973371    -17.23142345
  O     13.55662066     11.27839289    -12.09978450
  H     18.63378267      8.36398270    -14.48095815
  H     16.17401051     10.21889588    -13.59548783
  O     13.35578203      9.71876814     -9.88877129
  H     19.78805603     11.69383912    -13.99344130
  H     15.14178395     10.47060256    -12.46296135
  O     18.09578802      4.90286596    -14.77918513
  H     21.22174803     11.30288648    -14.42367238
  H     18.37544108     13.16058760    -12.77700342
  O     16.35380027      7.53314010    -11.69909668
  H     18.57427510      6.31231634    -13.63680900
  H     17.89621751     13.09014539    -14.23974097
  O     17.89049522      6.85462753    -16.86620382
  H     17.87045090      7.19498934    -12.57682291
  H     17.13733131     10.49227552    -11.35193441
  O     17.57821538     13.33506793    -11.06700392
  H     15.43711276     13.40597226    -13.45495839
  H     18.58294083     10.21208785    -10.89501106
  O     15.22492570      6.67791828    -17.32425063
  H     15.90400571     13.49435041    -11.98953369
  H     13.43947640      6.94912217    -12.61856378
  O     15.99537215     10.06506641    -12.66154241
  H     13.02217779      9.71201009    -14.86973023
  H     14.97945505      6.91953524    -12.65703313
  O     18.67109259     12.97542727    -13.67656836
  H     11.55280363     10.09049352    -14.64314064
  H     20.15869210      9.89757294    -12.55906950
  O     17.76321626     10.65468045    -10.62945291
  H     13.10030379     11.03134163    -12.91684488
  H     19.61622431      8.51090287    -12.17381399
  O     14.19064403      6.77316792    -13.19974928
  H     13.99552139     12.13317669    -12.22975057
  H     16.66256171      9.46822777     -9.52348280
  O     19.89511205      9.35783614    -11.80386471
  H     13.39606906     10.32371285    -10.65011446
  H     15.15992806      9.12031311     -9.41080627
  O     16.04677738      8.77251738     -9.25732249
  H     12.91473109     10.19525594     -9.18916941
  H     14.89188189      5.47251461    -14.32887802
  O     15.38604806      4.97853786    -14.99713148
  H     17.12251829      4.86557181    -14.79484739
  H     15.21876194      5.42914934    -15.83346157
          69
 Energy    -248.40085105284800     
  O     12.19196504     10.91129957    -14.72713166
  H     12.44325011     10.13283702    -15.24366031
  H     19.31875709      7.22350779    -15.03858270
  O     16.19887153      7.07020544    -12.76918425
  H     12.81605979     11.60438285    -14.97091089
  H     15.26335894     10.55752406    -17.73675770
  O     17.75926285     11.12514738    -11.78095170
  H     15.57384918      7.12783417    -12.03423380
  H     16.49444910     10.81668906    -16.85312085
  O     17.61912510      9.55701673    -15.95822108
  H     17.01780237      7.50589986    -12.49431082
  H     15.60346282      8.43084138    -13.78983399
  O     12.88012225      6.05073456    -15.06774094
  H     17.02853471     11.43337449    -12.33329580
  H     14.64637526      8.99216651    -14.90119250
  O     14.33121312      7.52363724    -10.79603205
  H     17.41647251     11.14306484    -10.87926646
  H     10.74325481     10.28313068    -12.01186121
  O     15.35665933     11.60907648    -13.13951456
  H     18.40351576      9.21206738    -15.51826047
  H     11.81362320     10.38919303    -13.12328904
  O     16.49356128      7.41127540    -17.35300610
  H     16.88279379      9.45731031    -15.33287192
  H     18.14113100      8.28075409    -10.26472228
  O     15.71920276      6.68156596     -8.60533281
  H     12.67878782      6.44647014    -14.19872185
  H     17.34060165      9.16569468     -9.28744666
  O     18.48915720      5.88122820    -15.89060569
  H     12.22049980      5.37977691    -15.22147250
  H     12.00267399      8.16112793    -12.63542903
  O     15.72425500      5.79042207    -15.14270399
  H     14.72123498      7.19913882     -9.97136119
  H     13.00799550      7.19231828    -12.00833562
  O     19.68088905      8.04364254    -14.66259465
  H     14.32584067      8.48873601    -10.77133197
  H     18.28052937      9.44840467    -12.07649222
  O     15.69963907     11.23554311    -17.20851637
  H     15.37798709     10.73225805    -13.55798321
  H     18.99498317      8.35730605    -12.93155931
  O     15.41667792      9.19109084    -14.35524114
  H     15.01039113     12.20127970    -13.81474201
  H     15.48314802     10.64368856     -9.79745161
  O     11.62864061     10.01476467    -12.24287732
  H     16.95663690      8.15730685    -16.94336912
  H     16.10904018     11.31370121     -8.55662049
  O     17.77130534      8.30555789     -9.37362277
  H     16.17171017      6.86019517    -16.62471926
  H     15.24615509      8.30468196    -18.19411259
  O     12.36441422      7.27253432    -12.72612512
  H     16.51779363      7.19310741     -8.82355612
  H     14.39087996      8.73009912    -19.41339206
  O     18.46944159      8.49811322    -12.13638666
  H     16.01163758      5.94711185     -8.07326484
  H     14.56103334     10.85895167    -11.69046165
  O     16.31654235     10.77746847     -9.31807337
  H     17.67177008      5.57287585    -15.47840251
  H     13.20799903     10.26921053    -11.26374269
  O     14.53602576      8.90334034    -18.48730681
  H     18.18562567      6.25783195    -16.72369112
  H     14.17853705     13.64773895    -15.82797321
  O     14.12511999     10.36759327    -10.97798214
  H     15.92996480      6.15708139    -14.26852487
  H     14.77332827     12.25035372    -16.10786311
  O     14.25309581     12.76791600    -15.46818924
  H     14.76277366      5.72847617    -15.17353560
  H     13.55878273      8.71690287    -16.92715207
  O     13.21640982      8.66412538    -16.02601876
  H     20.62062212      8.02861753    -14.82798702
  H     13.03495132      7.73773049    -15.82263680
          69
 Energy    -248.40066775274488     
  O     -5.75490725      1.71054709      0.84497316
  H     -5.05920198      2.27290594      0.47059266
  H     -3.48461687     -1.33908410      4.11519311
  O     -5.26762905      1.88505867     -3.61528386
  H     -5.70125934      1.81152711      1.80201549
  H     -0.69644268      2.12794916      3.67229217
  O     -5.20011479      1.78398738      3.62859261
  H     -5.54221136      2.25496026     -4.45072410
  H      0.61325079      1.54072392      3.10877139
  O     -0.73446767     -1.77521818      2.38024083
  H     -4.43798951      2.33274164     -3.37476538
  H     -0.99650228      4.84664143      0.57425600
  O     -2.52694448     -1.52079668      0.25463775
  H     -4.22943816      1.75708673      3.66849650
  H     -2.46584824      4.55012196      0.19439199
  O     -4.55895494     -0.84470621     -3.21357873
  H     -5.48443969      2.40490400      4.29468056
  H     -3.43403115      3.07039167     -1.09446457
  O     -5.22940211     -1.03813224      0.61693524
  H     -1.31590056     -1.71087198      3.14739418
  H     -3.04069003      2.36756335      0.23283714
  O     -2.03248709     -1.43291960     -2.48662950
  H     -1.31989755     -1.82577225      1.61196687
  H      0.63711799      2.51784227      0.28817434
  O     -2.93779120      3.03648326     -2.86149777
  H     -3.48702748     -1.45332978      0.35498663
  H      0.91645759      1.02681034      0.61926248
  O      1.27883167      0.01550888      2.15643438
  H     -2.33015919     -1.56747118     -0.68993680
  H      1.27633350      4.67687647      1.54089099
  O     -0.94493469      1.22431436     -2.44925497
  H     -4.77536724      0.07334651     -3.41898064
  H      0.42350952      3.54087994      2.15142405
  O     -2.58400979     -1.31666150      4.48599477
  H     -5.31726667     -1.19367371     -2.73063738
  H     -7.65739017     -1.97451912     -1.81794213
  O      0.20919736      2.35721724      3.43037304
  H     -5.36648169     -0.08040088      0.66098448
  H     -7.05628315     -0.55935420     -1.62449987
  O     -1.77070728      5.21897850      0.13674985
  H     -5.79965655     -1.36056125     -0.09090626
  H     -2.30024980      1.29439284      2.69306990
  O     -3.60200542      3.06334069     -0.14271338
  H     -2.93777352     -1.23194077     -2.78687224
  H     -2.41436110      0.49440944      4.02177140
  O      0.53333636      1.61601103     -0.04474328
  H     -1.68058641     -2.08264186     -3.08941366
  H     -5.18265111     -1.23051555      2.47885759
  O      0.56753123      4.06867725      1.34625301
  H     -2.19872309      2.41370836     -2.77699115
  H     -5.28304974     -0.15780049      3.57829569
  O     -6.84533001     -1.51185480     -1.63220100
  H     -2.57414512      3.93236574     -2.89414322
  H     -2.21988442      0.19974749      0.69379203
  O     -2.46085784      1.38366880      3.64670191
  H      2.09500495     -0.43247513      2.36203128
  H     -1.14930840      1.32023319      0.60106494
  O     -5.06590421     -1.08590068      3.42719533
  H      0.57015165     -0.64816248      2.23548045
  H     -6.53356653      1.53041542     -2.23461876
  O     -2.02655755      1.11198413      0.94642540
  H     -0.33531090      1.33067063     -1.70870824
  H     -6.78225157      1.46749677     -0.70644333
  O     -7.12729902      1.17493934     -1.56078862
  H     -1.23074944      0.30334970     -2.44885413
  H     -1.95783093      6.48296446     -2.81464902
  O     -1.88904020      5.55999681     -2.58689371
  H     -2.62728090     -1.74233928      5.33800162
  H     -1.78713572      5.52971258     -1.62022392
          69
 Energy    -248.40059667680532     
  O     14.97221186     12.28236886    -12.19556017
  H     15.82471910     11.93055808    -11.91134473
  H     11.48645814     11.00062987    -11.09100673
  O     17.45680807      9.28060922     -7.44740864
  H     14.50904981     12.51526068    -11.38188160
  H     15.50025795      9.02834718    -14.32606236
  O     16.92586300      6.71564995    -11.13212208
  H     16.74808342      9.84013605     -7.80419420
  H     14.40754040      9.88885732    -14.97882533
  O     16.96131609      6.49696415     -7.27841212
  H     17.94172205      9.82375479     -6.82981045
  H     18.33413986      8.83966506     -9.14577151
  O     17.10267111     10.89051389    -10.93938568
  H     16.29147058      6.58211148    -10.41612139
  H     18.17770222      7.97693408    -10.41569692
  O     13.73350507     12.74144186     -9.65036820
  H     16.63824547      6.12892171    -11.84784968
  H     15.58812982      6.16805219     -8.43174441
  O     10.64937200      7.12994655    -10.74119846
  H     17.12426742      7.45141903     -7.26565336
  H     14.46483583      7.07676078     -8.97423456
  O     15.42618742     10.73419282     -8.64478084
  H     17.82294296      6.08437717     -7.28875395
  H     11.13805138      9.54663818    -13.13520032
  O     13.66027869      8.59652062    -11.69351614
  H     17.80629628     10.25727674    -10.73181037
  H     12.19703973     10.67608214    -13.44356045
  O     13.22624072      5.90779087    -11.34443569
  H     16.51468192     10.87128025    -10.17226371
  H     12.79368770      6.14099807    -14.52040912
  O     14.37941244      6.44545053    -15.42238380
  H     12.91228459     12.23973965     -9.80579499
  H     12.37503957      5.74635328    -13.08848990
  O     11.51433506     11.30508411    -10.17314237
  H     13.47328165     13.60777471     -9.34894087
  H     10.85938570      7.27339618    -13.73525830
  O     14.90254708      9.07056017    -15.08796801
  H     10.40520058      7.42239441    -11.62729592
  H      9.41934540      7.79712105    -13.95221897
  O     18.62574875      8.75680584    -10.06100319
  H     11.42517933      6.56771310    -10.84896832
  H     10.71469886      8.27509779     -9.43031166
  O     14.93341151      6.24574857     -9.13912644
  H     14.80375753      9.99228488     -8.69560158
  H     10.19517717      8.74937224     -8.05221987
  O     11.67908556     10.24793817    -12.74931148
  H     14.91097231     11.52060996     -8.86338890
  H     14.74498909      5.32607785    -12.49464485
  O     12.02675367      6.02215019    -13.94428624
  H     14.51564834      8.77587762    -12.10392660
  H     15.25523396      5.66159610    -13.90109924
  O     10.22991087      7.97293667    -13.48191202
  H     13.00029587      9.18466814    -12.07858031
  H     14.09148663     11.80267820    -13.62445563
  O     10.84948131      8.92964988     -8.72155496
  H     13.36666531      6.84271112    -11.57448092
  H     13.51784329     12.25189430    -14.98733559
  O     15.53633492      5.31627426    -13.04519096
  H     13.73949034      5.76443711    -10.53818265
  H     13.64464642      8.72485356     -9.93927786
  O     13.55641667     11.51277285    -14.38582237
  H     14.54226795      7.40309471    -15.35347328
  H     12.70743388      8.77246006     -8.70680896
  O     13.63208256      8.69447686     -8.96847403
  H     14.63245460      6.18691428    -16.30459991
  H     16.54493246      9.67346291    -12.16736956
  O     16.22082973      8.92211672    -12.68008520
  H     11.20967277     10.56561090     -9.63513058
  H     16.51940254      8.12694171    -12.21830268
          69
 Energy    -248.40015529574478     
  O     13.73043552     12.68817681    -14.15909336
  H     14.65984302     12.93778094    -14.13108219
  H     16.15733223     11.17539633    -17.12957806
  O     14.95311730      6.42695147    -13.89541019
  H     13.68585144     11.93843174    -14.77236880
  H     15.44807028      8.13525282    -14.30173620
  O     18.22891272      8.89776308    -11.59159218
  H     14.25778775      6.74222967    -13.30222267
  H     15.03090900      9.51478085    -14.90858650
  O     18.13282421      9.00609464    -15.85171613
  H     15.76268285      6.33254375    -13.37026510
  H     12.63709363     12.06162894    -12.97281308
  O     14.73599215      8.59486626     -8.87835556
  H     17.62765488      9.62265228    -11.81786529
  H     11.38854935     12.18545548    -12.06562406
  O     13.20709707      7.57095945    -12.11131917
  H     18.08873478      8.68995578    -10.65952281
  H     16.86881325      5.76080785    -10.92637193
  O     16.42436653     10.76543897    -12.50846264
  H     17.29195006      9.00186175    -15.36387416
  H     15.63849785      5.72409266     -9.98014396
  O     16.41268257      7.96644129    -17.86582347
  H     18.83467119      9.16577454    -15.20397098
  H     12.11531542      8.50098093    -13.42359743
  O     13.77251037      6.20271760     -9.71830827
  H     15.69928864      8.55737636     -8.85511572
  H     11.71156822      9.98106681    -13.45054912
  O     15.71985388      5.62518239    -16.40145772
  H     14.50029974      9.21252734     -9.58518521
  H     20.79243194      8.87636115    -13.61412790
  O     18.28549231      6.15314979    -15.19451637
  H     13.54691137      8.43277805    -11.82904482
  H     19.42657899      9.12325851    -12.95468462
  O     16.87521922     11.49783493    -16.57330564
  H     13.26161012      6.99951044    -11.33508622
  H     17.83016101      6.21329519    -13.44211740
  O     15.75381576      9.03084882    -14.48421216
  H     16.18398654     10.11969062    -13.19362321
  H     17.67774331      7.25798688    -12.29799087
  O     12.05739023     11.57337569    -12.35973122
  H     16.55243385     11.60148988    -12.97088552
  H     18.09282104      7.90964434     -8.21617814
  O     16.60277219      5.70645715     -9.99774837
  H     17.15253488      8.28253379    -17.33178574
  H     17.26622246      7.15564773     -9.28651226
  O     11.77923407      9.19337060    -14.00575126
  H     16.12077477      7.14378707    -17.45350550
  H     14.63088454     10.29635598    -19.08288536
  O     19.92208651      9.23087856    -13.78117444
  H     14.06840608      7.04790765     -9.33180107
  H     15.33827138      9.31206675    -18.12275433
  O     17.38677049      6.38711464    -12.59904504
  H     13.22894860      5.77477401     -9.06204265
  H     14.89936805     10.39799281    -11.57618763
  O     17.56443311      8.03845352     -8.99952871
  H     15.33794734      5.86204450    -15.53931850
  H     13.36486482     10.62854815    -11.46650180
  O     14.80136841     10.12358216    -18.16103986
  H     15.32021975      4.79842254    -16.65989273
  H     17.13024170     13.73472801    -14.33734087
  O     14.08992230     10.06681518    -11.16451963
  H     17.52592724      5.83199053    -15.69595911
  H     16.68589457     12.47607300    -15.11400186
  O     16.58176100     12.95724623    -14.27420732
  H     18.40697033      7.06797819    -15.47279114
  H     13.78327527     10.19804781    -16.57798957
  O     13.65150318     10.35878877    -15.63684404
  H     17.45910400     10.74268431    -16.43181322
  H     12.90778080      9.84809232    -15.28428622
          69
 Energy    -248.39989699510986     
  O      9.60722028     11.58741132    -11.50408596
  H      8.91366376     12.19984370    -11.73392943
  H     15.89215530     12.52326638    -15.51503409
  O     14.80552050      9.35223157    -15.26942706
  H     10.32164079     11.71230318    -12.15414263
  H     16.77669740      9.32591219     -9.89366997
  O     10.09120940      8.78652002    -11.65422519
  H     15.04924912      9.94042964    -15.99365542
  H     15.43009587      8.56590221     -9.86838815
  O     13.71209481      7.25685530    -13.54318754
  H     15.33374509      9.64767296    -14.51293013
  H     13.92173825      9.19431492    -11.22317935
  O     13.99443489     12.60665132     -9.50282271
  H      9.78070562      9.69872724    -11.60648818
  H     13.92948018      7.76787392    -11.81599992
  O     15.31757244     11.56877129    -17.05531138
  H     10.60223418      8.64437635    -10.84790575
  H     13.87202087     14.07849077    -10.81413356
  O     10.91234408      7.72479573    -14.00668164
  H     12.76583561      7.32133369    -13.72493064
  H     14.82380373     14.77244917    -11.80978323
  O     13.88642623     10.90372329    -11.71400268
  H     14.14967502      7.78848094    -14.21747689
  H     12.57323481      8.41968850     -9.89013149
  O     11.50063726     11.52475453     -9.37103759
  H     14.44485257     12.11538215     -8.79687061
  H     11.81496156      8.12095988     -8.57807093
  O     16.80002073     12.79674660    -10.43440453
  H     13.05615411     12.36761354     -9.42231296
  H     17.57421212     11.26621667    -10.73426027
  O     11.69186077     11.74072924    -13.22661689
  H     14.39428763     11.87439608    -16.99651949
  H     18.86483484     10.41513731    -10.83980290
  O     15.98217774     12.83247010    -14.60611686
  H     15.56840312     11.62505243    -17.97333142
  H     14.20624690     13.41935638    -14.31911336
  O     16.10910340      8.95663706     -9.30309971
  H     10.28604539      7.05364019    -14.26438003
  H     13.38447334     14.17753879    -13.26004434
  O     13.95582482      8.25587227    -10.98181700
  H     10.60266839      8.08492059    -13.15640367
  H     16.86495519     10.35684709    -12.51572411
  O     13.89165262     14.65288645    -11.58819576
  H     13.08307566     11.15325160    -12.18646211
  H     15.35139305     10.67303858    -12.62923164
  O     11.78083088      8.64539779     -9.37415524
  H     13.96002410     11.47893004    -10.94243848
  H     12.77568576     12.97842422    -15.85517459
  O     17.92376716     10.39281648    -10.99049327
  H     11.61297935     10.57053567     -9.27754625
  H     12.34505392     11.54737506    -16.24970693
  O     13.31856172     13.74898965    -14.12705669
  H     10.78104148     11.63983187    -10.00240660
  H     15.67873233     10.95747161     -6.85991825
  O     16.15505996     10.51023677    -13.14905108
  H     16.80641007     13.45688735    -11.13909922
  H     15.56358354     10.23592523     -8.21596635
  O     12.76116853     12.35158016    -16.58898170
  H     15.91993660     12.82378970    -10.04532067
  H     17.10940792     15.37130436    -12.88365216
  O     15.25439590     11.00752102     -7.71176253
  H     11.74519926     11.07496085    -13.92633560
  H     16.44933132     14.06029693    -13.36674472
  O     16.59951334     14.62098689    -12.58819317
  H     12.19354512     12.51091055    -13.52834370
  H     13.00575518      9.70436129    -15.24616951
  O     12.06555874      9.93597448    -15.26326571
  H     16.11344578     12.03559287    -14.06929914
  H     11.58240684      9.15948663    -14.95319100
          69
 Energy    -248.39965219036065     
  O     17.59450548      7.44182607    -13.81804197
  H     18.17569043      7.78746394    -13.12741953
  H     18.19890022      7.12461511     -8.90421440
  O     17.99735420      8.82682757    -16.13252196
  H     17.84993673      7.82335994    -14.67209837
  H     15.03182063      9.37260540    -11.89458329
  O     12.23254464      9.66311519    -12.90308744
  H     17.16028843      9.10963103    -16.51821103
  H     13.59690673      9.60650911    -11.44243621
  O     15.70185030      5.58889071    -13.03679208
  H     18.48703419      9.63870413    -15.94815651
  H     20.17177334      5.71624398     -9.94542458
  O     18.88785329      8.54664242    -11.61732884
  H     11.89319616      8.78757158    -12.68429362
  H     18.70855857      5.64421072    -10.44581304
  O     19.44412527     11.04119917    -12.76540763
  H     12.68196107      9.55405837    -13.75617992
  H     15.83741352     11.28773110    -13.27122455
  O     16.96538840      9.84118880     -9.98697771
  H     15.19016689      6.00861297    -12.33154060
  H     14.76609685     12.37656135    -12.98714839
  O     11.78508084      6.88269300    -12.36765116
  H     16.37031510      6.22293940    -13.34109766
  H     16.67300449      4.81795671    -10.15284379
  O     15.52579057     10.04669422    -17.09982281
  H     19.20142193      7.77495932    -11.12890079
  H     16.82830727      4.83033198    -11.68716314
  O     13.51184619      6.42642771    -14.66804387
  H     18.19774778      8.95536474    -11.07628995
  H     15.08380551      9.36215028    -14.06767268
  O     13.72053226      9.09584587    -15.18550377
  H     19.40854024     10.14667976    -12.40134511
  H     16.47012235      8.83692882    -13.59886111
  O     17.42458240      7.49673883     -8.46343149
  H     18.89475425     11.58188864    -12.18651361
  H     19.33423446     11.22254138    -14.48195439
  O     14.46359404      9.35722534    -11.10560107
  H     17.18951012     10.74907945    -10.22664425
  H     20.06338282     11.63502176    -15.78075193
  O     19.40224087      6.24896390    -10.12547412
  H     16.03690183      9.71820130    -10.22879861
  H     17.51409443     11.99927311    -15.72806627
  O     15.71407545     12.23878846    -13.12159152
  H     11.08128371      6.31351286    -12.06630609
  H     16.24987487     12.40180334    -14.94344707
  O     17.31169828      4.68601204    -10.86374884
  H     12.55241600      6.70460033    -11.79743072
  H     14.27552806      7.58748586    -10.88608180
  O     15.80635410      9.51809313    -13.44327526
  H     15.43357021     10.23674945    -18.02994784
  H     14.50315521      6.24013521    -10.13525249
  O     19.23344239     11.30507676    -15.44688869
  H     15.84765965     10.86359619    -16.67748703
  H     17.59687155     13.26250251    -10.72082549
  O     16.57656403     12.21105827    -15.83119683
  H     14.27812196      6.00789376    -14.25469789
  H     16.86531190     12.42870048    -11.79997588
  O     14.10216183      6.63536444    -10.91899693
  H     12.83165324      6.46561075    -13.98545286
  H     12.58045005     11.46103146    -12.80260318
  O     17.53560553     12.38769533    -11.09561838
  H     13.67379197      8.12619049    -15.16172755
  H     12.23929814     12.94404310    -12.99908900
  O     12.95634682     12.35417170    -12.77798129
  H     14.23481849      9.36795443    -15.95553328
  H     16.17591048      6.29296144     -8.59301965
  O     15.53322215      5.58359005     -8.77559931
  H     17.28942799      8.37300540     -8.84653590
  H     15.33331114      5.17039810     -7.94023153
          69
 Energy    -248.39951363387030     
  O     17.55746632      8.34558268    -12.51029523
  H     16.81784467      8.96628932    -12.61208852
  H     13.89802712      7.83014228    -14.06154851
  O     12.28436831     11.85084055    -11.69159090
  H     18.13719858      8.74530520    -11.84829385
  H     16.96055570      9.62511898     -5.97908282
  O     18.10565123      9.46121473    -15.04688650
  H     12.77138418     12.24283278    -12.43709365
  H     16.35580757      8.75741117     -7.10892300
  O     11.58800906      9.34025446    -12.89729305
  H     11.65363789     12.50632275    -11.40391182
  H     13.52586722     10.99196666    -10.59833940
  O     15.90649101      6.50950222    -11.25656418
  H     17.31722524      9.29130470    -15.58133943
  H     14.02950183      9.60235650    -10.06249189
  O     18.90608329      9.81665076    -10.57221599
  H     18.02590108      8.91965189    -14.25200937
  H     19.04848048      8.52536812     -9.23483290
  O     19.97350857     11.99689483    -12.03919148
  H     11.74904775     10.20068386    -12.49444492
  H     18.36963788      8.46881175     -7.85574786
  O     16.79671627     11.06476610     -9.21515401
  H     12.30093730      9.19787721    -13.53545883
  H     17.17338449     12.54896830    -13.88198588
  O     11.61521252      7.05978752    -11.43822994
  H     16.38551548      6.13245840    -10.50862487
  H     16.72235595     12.98131716    -12.46228744
  O     15.73978136      9.01544772    -16.45653375
  H     16.53274608      7.07236221    -11.73400257
  H     17.92690177      6.49558189     -8.80009437
  O     13.81642219      6.28281991    -13.15453441
  H     19.38197867     10.50733452    -11.04698453
  H     17.74800620      4.96505556     -8.65877226
  O     13.90122265      8.73941880    -14.39989366
  H     18.15054604     10.24599781    -10.14276120
  H     15.09441096     10.26577690    -11.80390230
  O     17.00336459      9.45987034     -6.91690800
  H     20.86899712     12.32340182    -12.08684464
  H     15.83401773     11.02294077    -12.94316887
  O     14.27849188     10.52678653    -10.21299040
  H     19.63124143     11.98634505    -12.94709819
  H     18.60437617     11.05381229    -14.78377896
  O     18.86466604      7.93648840     -8.49088528
  H     15.88811720     10.92240976     -9.51730787
  H     19.16492909     12.35450160    -15.40995325
  O     16.39641507     12.72067470    -13.33841599
  H     16.87670996     10.62471339     -8.35982779
  H     14.55613874      7.40504170    -10.41722679
  O     17.29786716      5.76214720     -8.92485726
  H     11.52068263      7.88176805    -11.95322185
  H     13.01095214      7.53140006    -10.33155372
  O     15.51162444     10.15601408    -12.66771414
  H     10.74447001      6.68089376    -11.35906261
  H     18.46667691     12.89413465    -11.16825940
  O     18.84617417     11.98010553    -14.59332202
  H     15.54268240      8.41220437    -17.16942692
  H     17.29745843     12.56117795    -10.22060923
  O     13.83545641      7.83124133     -9.92941917
  H     15.02827262      8.89705291    -15.80761639
  H     13.55087168     12.57685805    -14.71816378
  O     17.57829628     13.17216321    -10.91530727
  H     13.03612093      6.36770569    -12.59374572
  H     14.62995993     12.93080471    -13.68444612
  O     13.67104804     12.86856652    -13.81640970
  H     14.56773927      6.19836392    -12.55239165
  H     15.94679135      6.73542279     -7.95562606
  O     15.35952990      7.41609687     -7.60360378
  H     14.45150131      9.26238733    -13.79750727
  H     14.69986858      7.57166370     -8.29224543
          69
 Energy    -248.39950480433868     
  O      1.80854743     -1.47059686      4.70030206
  H      2.53490828     -1.64618181      5.29425306
  H     -5.75901086     -1.73767617      5.16793751
  O      0.59897244      1.04324845     -2.57446478
  H      1.39370357     -0.64654795      5.01207124
  H     -1.94920540      4.09960840      1.07113312
  O     -0.63482407     -2.87132678      5.33083563
  H      0.44988547      0.10255095     -2.73878406
  H     -1.64716664      2.59710571      0.89315571
  O     -0.96726933      1.30263742     -0.16807351
  H     -0.04236557      1.29309178     -1.89803391
  H     -1.92293345     -1.71700762      5.63893421
  O      0.34503397     -1.79835566     -2.58738597
  H     -0.90274294     -3.49874201      4.64721626
  H     -2.42534070     -0.24367331      5.95324979
  O      2.52013755     -1.76954942     -0.93359271
  H      0.21575922     -2.50453706      5.06349977
  H      0.78674168      1.72498781      2.36148863
  O     -3.27381338      2.43434799      3.90233849
  H     -0.09432054      1.15727240      0.22435496
  H     -0.46339035      2.59927386      2.64040017
  O     -4.02354305     -3.53596498      2.61999587
  H     -1.34916621      0.42683749     -0.32004374
  H     -1.85568936     -0.59414197      3.90364663
  O      0.60301548      0.84182962      5.48806981
  H      1.11452691     -1.87764594     -1.99605502
  H     -1.02069217      0.44838125      3.09595422
  O      3.05706661      1.02018244     -1.41162419
  H      0.44803733     -2.46160099     -3.26458346
  H     -1.34201306     -1.82463646      0.07734094
  O     -4.29771194      0.20013060      2.51425296
  H      2.44664983     -1.85597888      0.02487127
  H     -1.10735121     -1.55270052     -1.42588891
  O     -5.08544094     -1.67011239      4.49688007
  H      2.87535461     -0.88647548     -1.09590512
  H      1.02792761     -2.01287708      1.70927755
  O     -1.83174847      3.28563768      1.55452850
  H     -2.82912357      2.85921829      3.16017173
  H      2.00756432     -1.59416825      2.82230055
  O     -2.65698189     -1.08874870      5.54944731
  H     -3.81026080      1.74168885      3.49350016
  H     -2.49111895      1.91489771      5.41021944
  O      0.16312719      1.99336207      3.05232777
  H     -4.11381688     -3.04409031      1.79056431
  H     -2.35318400      2.13829715      6.93204163
  O     -1.57704623     -0.33456872      3.01564964
  H     -4.48104891     -3.01259468      3.28734009
  H      2.19737669      1.10389031      0.23485335
  O     -1.69042483     -1.34102571     -0.68740020
  H      0.57977352      1.35776143      4.66759879
  H      1.73598961      0.06372872      1.29358764
  O      1.90701835     -1.63288830      1.86350155
  H     -0.22956909      1.05352580      5.92264822
  H     -2.51919890     -4.22322293      3.02547542
  O     -2.08801160      1.55929627      6.22222249
  H      3.71449124      1.53061124     -1.87553208
  H     -1.63534554     -5.48772103      3.16093144
  O      1.60008877      0.96973620      0.97951384
  H      2.22583829      1.10296865     -1.91323816
  H     -1.01497141     -1.72976634      2.11653880
  O     -1.61546038     -4.53687763      3.22034038
  H     -4.71478830     -0.40197927      3.14539421
  H     -0.94437559     -3.28166335      2.06121200
  O     -0.67344836     -2.47897820      1.60077337
  H     -3.34693510      0.01544210      2.55566029
  H     -3.46462050     -1.63915287     -0.08166480
  O     -4.25294206     -1.81006828      0.44854588
  H     -4.24392510     -1.49396737      4.95453100
  H     -4.39714330     -1.01512512      0.97625255
          69
 Energy    -248.39949321454583     
  O     -2.55390274      5.30632956      3.43787859
  H     -2.54901394      6.15235917      2.95881294
  H      1.22469174      3.81633427      2.64170605
  O      1.51312407      9.93825872     -0.41571256
  H     -3.12721742      5.41977075      4.19154824
  H      0.42916959      5.95645340     -3.52009986
  O     -1.17638810      9.24049391     -1.27959824
  H      0.62161664      9.82677493     -0.77072912
  H     -0.52040029      4.75637735     -3.71315747
  O      0.95123013     10.36843147      2.21134003
  H      1.88952556      9.04772243     -0.42419691
  H     -3.06219849      0.75571026     -3.10575582
  O     -1.75024026     10.34914530      1.20342071
  H     -1.73589567      8.45465585     -1.18894789
  H     -1.92061328      1.38985290     -2.27433210
  O     -2.64636938      6.96220088     -0.73474059
  H     -1.40756418      9.78491645     -0.51307226
  H      1.35786683      3.71881069     -3.11060889
  O     -2.26541968      7.58734067      1.93875903
  H      1.50649116     11.00470908      2.65319436
  H      2.48535918      2.66762257     -3.25741334
  O     -0.98171256      4.80396779     -0.59835086
  H      1.24183161     10.33581092      1.28205645
  H     -0.63617828      5.08991590      3.45794500
  O     -2.47110365      3.43763705      1.31046165
  H     -2.10587131      9.53785217      1.58649679
  H      0.48113643      5.99219691      2.90154760
  O     -0.37716099      1.55207759      1.05068355
  H     -0.91163503     10.50013531      1.65637909
  H     -3.80188974      3.10885062      0.06850946
  O      0.49502829      7.77990543     -2.93223444
  H     -3.40164095      6.55984968     -1.17890303
  H     -3.90447479      2.41850773     -1.30996616
  O      1.72999598      3.11187475      2.19583836
  H     -1.97965482      6.26282420     -0.64914244
  H     -2.38666333      3.26624168     -3.08338546
  O      0.40928515      5.02305409     -3.75845372
  H     -1.29570955      7.58854124      1.93128575
  H     -2.95875638      4.69591053     -2.93403413
  O     -2.82152038      1.53849458     -2.61890668
  H     -2.54520452      7.39091142      1.03332440
  H      1.93451813      3.83337069     -1.02694873
  O      1.82143099      2.99234404     -2.65518889
  H     -0.03212596      4.67643295     -0.49194066
  H      1.86591753      3.89580746      0.54327174
  O      0.31228297      5.12368041      3.29154785
  H     -1.23527940      4.47791689     -1.47158976
  H     -4.54746279      4.55934207     -1.54854946
  O     -4.34889291      3.04647107     -0.72667388
  H     -2.57619086      4.00270145      2.08407738
  H     -5.40072441      5.50399329     -2.43176683
  O     -2.15568292      4.20335883     -3.14129543
  H     -1.92384073      3.92936609      0.67857043
  H      0.72604963      8.49491664      2.20073755
  O      1.79517822      4.41475532     -0.26809326
  H     -1.16233965      2.07780849      1.25282772
  H      0.94068091      7.42170752      1.10071493
  O     -4.52597930      5.38050392     -2.07435611
  H      0.35532602      1.98939907      1.49958702
  H      1.38703989      7.26754932     -1.34618009
  O      0.52729331      7.58160937      1.96009920
  H      0.96608379      8.37991798     -3.50823369
  H      1.97016187      6.19092828     -0.40248552
  O      1.83205157      7.14369099     -0.49814208
  H     -0.14979910      8.32210130     -2.44990126
  H     -0.29569748      1.34917515     -0.72189167
  O     -0.33076888      1.32845549     -1.69071856
  H      2.38159806      2.80289797      2.81911104
  H      0.42878551      1.82099120     -2.01622730
          69
 Energy    -248.39945749523412     
  O     11.36010470     11.93272298    -15.57428276
  H     11.17381101     11.10793599    -15.11242947
  H     17.09021924      7.97615335     -9.73919346
  O     14.25657748      7.42085379    -11.89655602
  H     11.30893156     12.63022461    -14.90817524
  H     17.65545967     10.93848789    -16.87114569
  O     17.04873284     11.17607415    -13.71277216
  H     14.56479125      7.15916387    -12.77444558
  H     16.11141122     10.88125080    -16.84919658
  O     12.91525945     12.22357138    -17.79882234
  H     15.05310338      7.53094580    -11.36327387
  H     11.82929670     13.44200218    -12.74138511
  O     14.32875087     10.98446794    -14.12213307
  H     17.29653641     10.25778763    -13.53720155
  H     10.90218771     14.58595398    -13.21494482
  O     14.24665639     13.83267903    -14.11079074
  H     17.10036212     11.31356446    -14.66958395
  H     14.42245365     10.28798261    -10.74075575
  O     16.70158362      8.25339066    -18.43902684
  H     12.34878501     12.10899229    -17.01562620
  H     15.49366155     11.38691181    -10.78186707
  O     12.93308343      9.79961815    -12.06258930
  H     12.35422663     12.55479826    -18.49548086
  H     11.55830893      9.55285006    -13.29127507
  O     16.82665353      6.20369630    -16.66793871
  H     14.12217660     11.92322723    -14.19768042
  H     10.19301490      9.03823304    -13.79211692
  O     15.30113549      7.15485807    -14.51229945
  H     15.27505082     10.94472301    -13.92888542
  H     14.40708810     13.22285183    -17.14560848
  O     18.92102867      7.84256853    -15.56275023
  H     14.56155505     13.90614801    -15.02448832
  H     15.85455550     12.98238673    -16.66164468
  O     16.69204803      8.21879913    -10.57058248
  H     13.31393038     14.06815662    -14.08061406
  H     16.68168550      8.03948333    -13.69441900
  O     16.87263487     11.36601562    -16.50133965
  H     17.49305362      8.78386527    -18.28493095
  H     17.32168910      8.33739628    -12.31438092
  O     11.46687713     13.88490880    -13.52923218
  H     15.95209584      8.85406356    -18.32976865
  H     15.21011896     13.38505621    -12.60697242
  O     15.28525651     10.52875909    -10.38890610
  H     13.46243713     10.24533072    -12.74476286
  H     16.30353117     12.34847595    -12.40614954
  O     10.99384996      9.47279170    -14.07597961
  H     13.30159344      8.90811611    -11.95653257
  H     14.18061713      9.49254860    -17.03316916
  O     15.14188624     13.63445414    -16.67379931
  H     16.73655411      6.89209999    -17.35153093
  H     14.08285762     10.77360663    -17.87824455
  O     17.43573235      8.46833664    -13.26371790
  H     16.89133350      5.36904055    -17.12407998
  H     13.63043051     12.72327083    -11.45375681
  O     15.64366712     12.86134843    -11.91702346
  H     14.60626516      7.69172160    -14.91800331
  H     12.57590798     11.60580255    -11.50703631
  O     14.66039470     10.02520853    -17.68286860
  H     15.77507616      6.71913278    -15.23189080
  H     19.02186286      9.10195522    -16.76740658
  O     12.67918348     12.56439824    -11.46475956
  H     18.57697439      8.07328170    -14.68963134
  H     19.83286024      9.90387585    -17.81443516
  O     18.95127238      9.76119694    -17.48141668
  H     18.32630275      7.16365031    -15.90448791
  H     12.46247677      8.84075204    -15.22884469
  O     13.37502586      8.87540211    -15.53096713
  H     16.26571005      9.08444928    -10.43704488
  H     13.75093823      9.66545113    -15.10443091
          69
 Energy    -248.39942144430660     
  O      1.66866173      0.20205130      4.14147568
  H      1.35124394      1.09157348      4.33876359
  H     -3.06506302      3.48414232      0.45642269
  O      1.13404765     -0.29426354     -2.78898950
  H      1.08276880     -0.40039964      4.61569460
  H     -3.41113421     -0.44933256      5.13448516
  O     -0.30031777     -1.62442976      5.19820134
  H      0.27541638      0.02210458     -2.48270020
  H     -2.41134424      0.26028864      4.19162387
  O     -1.10894468      0.60081133     -1.17927260
  H      1.35689162     -1.03158586     -2.20647906
  H      0.17059164      2.48100117      1.42166125
  O      1.61137134     -2.28665351     -0.76686207
  H     -1.09478856     -1.07020511      5.29160427
  H     -0.01512933      2.92064093      2.91121419
  O     -4.10262098      3.64507055      3.72624148
  H     -0.26141231     -2.18799698      5.96651885
  H     -2.46706735      1.73912578     -1.18665866
  O     -3.80515356     -2.77637009      2.70221751
  H     -1.25619488     -0.30416317     -0.87378394
  H     -3.49736896      2.57725088     -1.97697566
  O      0.57553267      2.80554293      4.66426767
  H     -0.36635270      0.95535429     -0.66934329
  H     -2.88099162      0.65291843      1.89899094
  O      2.78904896      1.70247587     -1.86251004
  H      2.23582467     -3.00823508     -0.78465398
  H     -1.55754602      1.39129694      2.30468932
  O     -5.47659809      1.16886813      3.30301575
  H      1.76139114     -1.81054638      0.06576253
  H     -0.31621030     -2.32406323     -0.60249811
  O     -5.06488892     -1.09617831      4.68739428
  H     -4.59153812      4.44406456      3.90806747
  H     -1.20076500     -2.16637288      0.65011306
  O     -2.89578414      3.90111503      1.30798144
  H     -3.71400939      3.75566763      2.84029544
  H      0.69714563     -1.29814247      1.83099569
  O     -2.52948499     -0.05694649      5.10160689
  H     -2.86439060     -2.58764138      2.77736276
  H      1.81483024     -0.49040540      2.48792758
  O     -0.45961888      2.84820116      2.05827455
  H     -4.24359249     -2.24884694      3.38108549
  H     -2.72000479      3.06744781      4.87875490
  O     -3.22909943      2.33638827     -1.09395823
  H      1.03816045      3.48253175      5.15138603
  H     -2.25002007      1.75242244      5.52966464
  O     -2.08678128      0.59738799      2.44699708
  H     -0.33957695      2.79456882      4.99847315
  H      1.76714114      1.66670965     -0.40110546
  O     -1.20608562     -2.08910626     -0.31389674
  H      3.21511747      2.21727143     -2.54220421
  H      1.35107428      0.68838506      0.74802234
  O      1.56089581     -0.90623134      1.64967720
  H      2.28487530      1.00976069     -2.32188365
  H     -1.37671774     -0.98459355      2.41739371
  O     -2.02009435      2.68430523      5.42271203
  H     -5.23512479      0.99184417      2.38204519
  H     -0.68720879     -1.97792745      3.39433868
  O      1.10639788      1.50071569      0.28630054
  H     -5.06992858      2.01488141      3.52284534
  H     -4.09698978     -2.36102705      0.93069756
  O     -0.98986696     -1.87566028      2.48317480
  H     -5.28739196     -0.28080255      4.19986436
  H     -3.18272251     -2.13962249     -0.29156027
  O     -4.06660345     -1.96193307      0.04770971
  H     -5.85787133     -1.37361391      5.13725696
  H     -4.12284802      1.22924301      0.11535684
  O     -4.36076107      0.63133901      0.83244959
  H     -1.98167673      3.67352541      1.53420265
  H     -4.34071224     -0.27459920      0.48695582
          69
 Energy    -248.39919020742661     
  O     10.92858089      8.60265502    -13.73935271
  H     11.47349698      7.98195045    -13.22082602
  H     12.72986718     13.67341235    -14.66480018
  O     17.34302411      8.25921795    -13.94202137
  H     10.02103221      8.33191970    -13.62946015
  H     14.12640651      9.13813679    -14.60000830
  O     16.45019894     11.87914377    -11.51080447
  H     17.88463812      8.97706312    -13.59052930
  H     14.64977986      9.78831754    -13.27801135
  O     14.32375209      6.42122180    -16.40705826
  H     16.45188562      8.63291278    -14.03671446
  H     13.10224678      7.17048656    -11.66594383
  O     16.17433197      8.39599199     -8.41691452
  H     15.66129088     11.31433298    -11.46958086
  H     13.11169559      6.29388242    -12.93067411
  O     16.36340018      6.39401989    -12.20766012
  H     16.23399140     12.58633533    -12.12658493
  H     20.59995352      9.05240376    -10.30453033
  O     14.27071229     10.27942938    -11.56942018
  H     14.08158596      6.07868344    -17.26447891
  H     19.19682590      8.41818172    -10.44761282
  O     18.11332242      7.08257896    -10.09434776
  H     13.75060389      7.19113213    -16.24401283
  H     14.25362533      4.28223427    -14.01223225
  O     16.09466993     10.47303340    -16.47705989
  H     16.09192927      8.41033263     -7.46729449
  H     14.41125180      5.60708119    -14.78875353
  O     16.89781212      7.81367745    -16.70068251
  H     16.61021543      9.22880393     -8.67290359
  H     16.04890640     14.54198076    -13.65242669
  O     17.66181153     12.19158802    -14.93403247
  H     15.76192072      5.87156842    -12.74924429
  H     16.44958949     13.14752946    -14.18317436
  O     13.19151200     12.84893798    -14.52162176
  H     16.79939571      7.01483307    -12.81258013
  H     19.07705026     10.11017437    -12.10765702
  O     14.90985412      9.47921483    -14.15398208
  H     14.26239087      9.40222058    -11.16640079
  H     17.81016268     10.95867059    -12.35545053
  O     12.56479799      6.90461564    -12.42343530
  H     13.36646442     10.54873469    -11.78806321
  H     17.17155869     11.17038901     -9.92826079
  O     19.70623376      9.23756765    -10.58002663
  H     17.58799663      6.69185806    -10.80441970
  H     18.36447419     10.24214168     -9.62504012
  O     14.38563929      5.22114211    -13.89901149
  H     17.47936597      7.39537466     -9.43724928
  H     13.27379863     11.70156863    -16.05175344
  O     15.76219400     13.63269347    -13.68986430
  H     15.67631704     10.27421202    -15.62480808
  H     14.31645566     10.96027686    -16.90797152
  O     18.53646232     10.50167608    -12.80490756
  H     16.45050352      9.62546370    -16.77724525
  H     14.96624570      7.90902772     -9.73426736
  O     17.54375583     10.58825375     -9.25310287
  H     16.09060191      7.29204733    -16.63659836
  H     15.17066404      7.27392586    -11.13058512
  O     13.36430798     11.06211781    -16.76885791
  H     17.24543712      7.85841090    -15.79873751
  H     12.26290147     11.63461395    -13.34519976
  O     14.51634874      7.71069214    -10.56529485
  H     17.24751335     11.62588690    -15.60040720
  H     11.50127113     10.30229973    -13.08705537
  O     11.91027350     11.06101507    -12.65334207
  H     18.13646578     11.60895328    -14.32836266
  H     12.04226619      8.60287960    -15.19804550
  O     12.79163868      8.57756500    -15.80558660
  H     14.08008000     13.08587029    -14.21420074
  H     12.87840597      9.44445689    -16.23259539
          69
 Energy    -248.39913605110803     
  O     -2.24281824     -1.41147680      6.78142366
  H     -2.99718266     -2.00661088      6.69418710
  H     -3.11675815     -3.96121392      0.94060969
  O      0.79691122     -1.06256450      3.90137657
  H     -1.45817099     -1.92674582      6.55396955
  H      2.93071828     -2.92371693      2.50009095
  O     -0.93447642      1.11176436      3.40043040
  H      1.67656241     -0.96196664      3.51953422
  H      2.14303336     -4.00904482      1.74928622
  O      1.50779160     -5.04640237      4.67026476
  H      0.27660314     -1.52583651      3.22420481
  H     -1.52975381     -2.52504660      2.10120063
  O     -4.44866078     -3.12276607      6.01866985
  H     -1.67136516      1.03713804      4.01677098
  H     -0.75012602     -1.37139628      1.39215176
  O     -0.12574995     -2.95830955      5.67055705
  H     -0.27574240      0.46925747      3.69801321
  H     -3.63785353     -2.41336035      2.95382712
  O     -0.85804952     -6.30693936      3.62538763
  H      1.95380110     -4.60972841      3.92270059
  H     -2.86833633     -3.69337807      3.36032409
  O     -4.64207223     -1.17753612      3.93877511
  H      2.17267673     -5.56178493      5.11993288
  H      0.93499732     -3.60005860     -0.41251763
  O     -0.85992587      0.35781952      0.78121225
  H     -3.77334014     -3.72122115      5.65326132
  H      0.30602153     -3.39463907      0.98083096
  O     -0.79860226     -6.19426310      0.76982570
  H     -5.02946247     -3.65823673      6.55298830
  H      0.94621588     -2.47115639     -2.77129682
  O     -1.90204390     -2.26869969     -1.47012344
  H      0.45870836     -3.70267888      5.47792377
  H     -0.19988354     -2.33733967     -1.74057284
  O     -2.92143556     -4.34713705      0.07593056
  H      0.21769164     -2.22215959      5.14243844
  H      2.63853116     -0.82953388      1.47146215
  O      2.67824878     -3.85383020      2.53912290
  H     -0.84907083     -6.32074002      2.66070159
  H      3.91816372     -0.52932937      2.28357813
  O     -0.64837805     -2.20486057      1.87242919
  H     -0.00126106     -5.96300978      3.90926151
  H      0.85948514     -0.02633062      0.25288171
  O     -3.13037530     -3.15380127      2.60208391
  H     -4.12462050     -0.45092587      4.31140898
  H      1.49397679     -1.09904888     -0.64546717
  O      0.82349389     -4.02113016      0.44799002
  H     -4.74790283     -1.82293793      4.64951771
  H     -4.03724122     -0.28321631      0.14027551
  O      0.76754636     -2.41975824     -1.83675941
  H     -1.72299540      0.36823182      0.35266705
  H     -3.79441035      0.65919458     -1.05560840
  O      3.11346436     -1.04014405      2.29589927
  H     -0.94981928      0.74877373      1.66486138
  H     -2.68563486      0.00349565      5.85924347
  O      1.69925549     -0.46171224      0.04805308
  H     -0.52277370     -6.92365676      0.21985249
  H     -3.29910370      1.42397689      5.84009669
  O     -3.35925832      0.03792212     -0.47631518
  H     -0.16766484     -5.47087516      0.61269488
  H     -1.62082005     -3.89796732      5.19581864
  O     -3.03933380      0.69933438      5.27665862
  H     -2.41268532     -1.49530080     -1.21138785
  H     -1.95250894     -5.24171312      4.50033345
  O     -2.35434410     -4.46495918      4.91758471
  H     -2.27825046     -3.01955825     -0.98709363
  H     -5.65955777     -1.78962028      1.02774544
  O     -5.28656691     -0.93314061      1.23255944
  H     -2.30502989     -5.06670686      0.25394071
  H     -5.18021967     -0.91789505      2.19516009
          69
 Energy    -248.39895145568204     
  O      0.28022716      2.93640199     -2.65596961
  H      0.55553230      3.22453157     -3.52163611
  H     -1.65100115     -0.12850029      2.15118425
  O      1.87468362      3.96335171     -0.76115351
  H      0.85552136      3.38804510     -2.01113924
  H      0.32564361      0.12769570      2.30350924
  O      3.22015174      0.31569023      2.95205500
  H      2.63137904      3.40666132     -0.53948864
  H      0.63812933     -1.35791404      2.48507429
  O      1.10675926      1.43374440      1.46167524
  H      1.41702163      4.16450148      0.06602295
  H      2.97684695      0.80435101      4.71142652
  O     -2.35435005      2.69013234     -1.60714637
  H      2.55820540      0.80477549      2.43873067
  H      2.98623893      2.15383932      5.44189810
  O     -2.20571810      3.09372867      1.08741798
  H      3.11472600     -0.60160106      2.67927910
  H     -4.54326373      4.69495073      2.63326237
  O      0.48867027      0.56074844     -1.16942480
  H      0.88681151      2.37020469      1.52082527
  H     -3.30361409      3.84653220      2.27078215
  O     -2.24802549     -0.10932466     -0.92303999
  H      0.97923926      1.16866006      0.54142655
  H      0.32625795      2.72621323      4.47362757
  O      4.09975632      2.25313350     -0.17610328
  H     -1.50693322      2.86048774     -2.03845186
  H     -0.41175662      4.06800925      4.66263346
  O      4.46868799      2.73574320      2.47397505
  H     -2.42342961      1.73016811     -1.52969625
  H      0.97353512      0.96761568      5.35692791
  O     -2.08664846      4.32818384      5.21731057
  H     -2.31689755      3.08445114      0.12515367
  H      0.01792790      0.27939361      4.33316150
  O     -2.40394696      0.33771837      1.76521403
  H     -2.18530029      2.17099157      1.37307268
  H     -4.06406464      2.28255192      3.58555290
  O     -0.00381982     -0.68320687      2.72865267
  H     -0.41401963      0.22501651     -1.11151351
  H     -3.44175534      1.37343797      4.65790403
  O      2.71886552      1.23295075      5.54075309
  H      0.46151609      1.32916590     -1.75454926
  H     -2.41228843      1.27117329      7.04769217
  O     -3.88093167      4.11768829      3.00444221
  H     -2.79072238     -0.84424469     -1.19664997
  H     -1.46739880      1.34249245      5.82647477
  O      0.41063411      3.67779993      4.33149641
  H     -2.38783211      0.00082572      0.03330944
  H      2.12974879     -0.22435213     -0.86288584
  O      0.05787076      0.93524838      5.03957434
  H      4.91607216      2.43539334     -0.63633440
  H      3.42563353      0.39588361     -0.32044490
  O     -3.89719400      1.35812033      3.80663311
  H      4.25557879      2.48803392      0.75553579
  H     -0.57844951      3.85922599      1.37869212
  O     -2.33186442      1.62979685      6.16766271
  H      4.25506190      1.82348240      2.71785020
  H      0.40238026      4.09942356      2.55302525
  O      2.97457674     -0.44742478     -0.44698302
  H      4.07771574      3.28059179      3.16621894
  H      2.58543551     -1.53502200      0.89537568
  O      0.33610713      4.09854113      1.58871581
  H     -2.72835086      4.37242456      4.49731471
  H      2.69971946     -2.92698281      1.55488178
  O      2.34577293     -2.05150517      1.68625165
  H     -2.25194908      3.48710337      5.66271664
  H      2.16047830      3.97438617      4.58488313
  O      3.12520438      3.98023741      4.69966418
  H     -3.00335632      0.58340877      2.48600190
  H      3.33324417      4.76445145      5.20189490
          69
 Energy    -248.39877960568850     
  O     16.96045973      9.62656377    -14.67833916
  H     16.53654712      9.52342401    -13.81079361
  H     12.92180140     10.52740824    -10.10778819
  O     14.48295525      7.51587432     -8.89012583
  H     17.60310804     10.35093416    -14.61205396
  H     18.48210185      4.10855823    -12.28064562
  O     12.26669324      7.63868514    -10.69142147
  H     15.07873050      7.19063593     -9.58729145
  H     19.53517546      3.40908214    -11.40161567
  O     15.58316332      7.34561351    -15.47882551
  H     14.61343165      6.95335594     -8.13112092
  H     15.67920643      6.25116956    -11.73218415
  O     18.92464753      7.68978663    -14.03917239
  H     12.08160964      8.58512646    -10.71398497
  H     16.99664587      6.74633112    -11.05159988
  O     20.40985692      9.88257797    -12.86568843
  H     12.94785503      7.52425874    -10.01814436
  H     16.27577977     12.72042983    -12.98780214
  O     18.76754538      6.93090850    -11.37888279
  H     16.05726269      8.17527119    -15.32905858
  H     16.90702559     13.95152805    -12.29758842
  O     12.27731744      6.08208655    -12.90887286
  H     14.63888969      7.56195492    -15.43888161
  H     18.02585364      5.64674782    -16.80449776
  O     15.18295068     12.02007834    -14.18274842
  H     18.75797000      6.97626660    -14.66549973
  H     16.99527051      6.29276847    -15.85241287
  O     12.99648131      8.01675867    -14.91040706
  H     18.29271621      8.38521958    -14.26640973
  H     15.77999398      8.33378099    -11.84359918
  O     13.32180409     10.21172940    -13.15813523
  H     20.09819467      9.79014411    -11.95797097
  H     16.09592317      9.83528255    -11.61509583
  O     12.10831063     10.49220438    -10.64329218
  H     20.15009745      9.06872920    -13.31479755
  H     18.29077073     12.19784263    -13.54074524
  O     19.08907069      4.24085046    -11.53174101
  H     18.99002540      5.98970127    -11.32151209
  H     19.41440625     11.14519484    -13.73272002
  O     16.03343949      6.73858803    -10.97482138
  H     18.82001010      7.17381645    -12.31508657
  H     17.72771318     10.50705755    -10.34632596
  O     16.95674185     13.00043363    -12.35016248
  H     12.24419855      6.63887482    -12.11063390
  H     16.99126809     11.71705278    -11.02302983
  O     17.83699950      5.80676159    -15.88314830
  H     11.50461434      5.52402246    -12.88723854
  H     15.22859058      6.23630367    -13.99688153
  O     15.73997297      9.20408289    -12.25520385
  H     15.68129277     11.38892083    -14.70972729
  H     14.05654392      5.66773963    -13.15537253
  O     18.71353933     11.62998496    -14.19396110
  H     14.40551323     11.53343447    -13.87454321
  H     19.82632926      9.32093534     -9.51442775
  O     16.87581329     10.95220903    -10.44229448
  H     13.00026436      8.84146055    -14.40599529
  H     19.07337609      8.48098109    -10.57009340
  O     15.01504940      5.63519293    -13.27040695
  H     12.62753786      7.35434442    -14.31421948
  H     14.48803892      9.41603697     -8.99068145
  O     19.23006024      9.38831652    -10.25697941
  H     12.78051420     10.39837720    -12.38222615
  H     15.26677564     10.64688686     -9.51151904
  O     14.40142831     10.35541459     -9.19789499
  H     14.12996541      9.79455529    -12.82030627
  H     17.62084924      4.52925112    -14.45943309
  O     17.35126090      4.09083595    -13.64366588
  H     11.47568962     11.06746234    -10.22227608
  H     16.47081935      4.44060719    -13.45519550
          69
 Energy    -248.39865125181669     
  O     17.27194238      7.08349604    -13.72759718
  H     17.73412833      7.18533883    -14.56863421
  H     14.03674985      8.77442337    -16.00479547
  O     13.95942028      9.51635268    -11.57392101
  H     16.51687329      6.48868329    -13.83892968
  H     13.51575382     11.98744437    -14.06158501
  O     18.71285735      7.84085591    -15.98664614
  H     14.55186946      9.45970140    -12.34107972
  H     12.63155867     12.53421859    -15.20548830
  O     11.64049006      9.87832253    -13.15421095
  H     14.48580721      9.24863719    -10.80397023
  H     14.68783097      5.56613585     -8.95123302
  O     14.97381732      5.57211513    -13.72451470
  H     19.35182990      7.39816252    -16.53913418
  H     15.03734143      5.79685921     -7.46185674
  O     18.00619336      7.82272823    -11.18207345
  H     19.20141414      8.50422906    -15.46531889
  H     17.74690699      6.11825228    -10.44608579
  O     19.19500047     10.33551321    -11.77403928
  H     12.33120775      9.80564902    -12.48171126
  H     16.78245997      5.49784607     -9.41989015
  O     15.64812626      8.50042688     -9.73497290
  H     11.96143702     10.53179786    -13.78679167
  H     17.54325740     11.93534378    -13.91542968
  O     11.12812664      7.34723287    -13.91838448
  H     14.35875835      6.03641694    -13.13765669
  H     16.65959591     10.83548152    -13.27691043
  O     17.09482996     10.05080291    -16.91744443
  H     15.30183510      4.82203398    -13.21088468
  H     16.52318197      4.25847984    -11.27653196
  O     13.43099368      7.15024712    -15.60396369
  H     18.49744820      8.64443195    -11.29203099
  H     16.30891081      2.84260028    -11.85956240
  O     14.47248833      9.63816530    -16.08050067
  H     17.79998221      7.50872173    -12.07560788
  H     16.30023213      8.57844874    -13.65654814
  O     12.99253509     11.72996830    -14.84105291
  H     18.46263169     10.86808883    -12.12655684
  H     15.32484363      9.44911123    -14.50747808
  O     15.29262850      6.03490709     -8.34869224
  H     19.66307536     10.89003395    -11.15418769
  H     19.49335002     10.63600494    -14.89769196
  O     17.38527493      5.27610204    -10.14094615
  H     15.48177222      7.73312139     -9.17487949
  H     19.77888760      9.90109024    -13.57635255
  O     17.14689736     11.65314695    -13.08074829
  H     16.46588801      8.30587957    -10.21168184
  H     17.87272372     11.36596031    -16.11357092
  O     15.94477219      3.72358052    -11.85000075
  H     11.21380386      8.28942045    -13.68266251
  H     18.61151961     12.72545695    -16.17312776
  O     15.74839990      9.36992594    -13.64286772
  H     10.19675423      7.16211156    -13.99792168
  H     13.39953497      7.69402444    -11.78110714
  O     19.87110792      9.82512710    -14.53294937
  H     17.54394960      9.22102370    -16.71899870
  H     12.35607193      6.89444488    -12.60689864
  O     18.36243348     12.02078668    -15.58197058
  H     16.15249505      9.90385687    -16.75588048
  H     14.22177029     11.49215652    -11.97757767
  O     13.12010349      6.80337016    -12.02274085
  H     12.58962242      7.15604037    -15.13061406
  H     15.38091308     12.24337839    -12.65450557
  O     14.41974008     12.23793228    -12.55582274
  H     13.98813364      6.51017502    -15.14589717
  H     14.42102759      4.26787874    -10.76698429
  O     13.79603664      4.76601980    -10.22669232
  H     13.86860226     10.32605456    -15.77562829
  H     13.44520540      5.45838527    -10.80447714
          69
 Energy    -248.39859798659879     
  O     10.98993532     11.00320254    -12.45496130
  H     10.47542134     10.34484909    -12.94010369
  H     19.07668854      5.56371756    -14.86562446
  O     13.89054841      7.33624202    -14.69109281
  H     11.65858661     11.32225042    -13.07238219
  H     15.09238091     12.69446051    -16.95978353
  O     17.36472023     11.42754779    -11.34259552
  H     14.37708678      6.59016187    -15.06210333
  H     15.83819194     11.54372961    -16.24753323
  O     17.90766078      8.26732847    -16.93050543
  H     14.55994240      8.01821619    -14.52475269
  H     16.38068653      9.58246413    -14.75610048
  O     11.96631192      9.07151388    -15.50253552
  H     17.38600559     12.17096752    -10.74459853
  H     15.55929540      9.73549184    -13.44757201
  O     13.45606411      6.52174336    -12.09184029
  H     16.44977965     11.35586417    -11.66589942
  H     11.35423788     10.27477066    -10.89970860
  O     14.85448331     10.91544966    -12.25881616
  H     18.17853127      7.58552391    -16.30395275
  H     11.07515045     10.17250172     -9.38069707
  O     15.45775668      7.25399466    -17.99562336
  H     17.11950946      7.92424238    -17.37045920
  H     10.99742925      8.11697627    -10.99877593
  O     15.62691585      4.92765228    -12.78078099
  H     12.57719876      8.36868302    -15.22760789
  H     11.67214746      6.95934320    -11.76010180
  O     17.32825607     10.70162293    -15.86880949
  H     11.14119863      8.92851450    -15.02455687
  H     19.69354946     10.53323678    -13.40571079
  O     15.69893174      5.51111211    -15.76515088
  H     14.11734773      5.81817064    -12.09309652
  H     18.43433943     11.19811530    -12.83633328
  O     18.37887577      6.20034276    -14.99979274
  H     13.47809275      6.86004148    -12.99904019
  H     16.83555997      7.84643532    -13.22031153
  O     14.95624212     11.90959143    -16.43467934
  H     14.51631297     10.20816068    -11.68883948
  H     17.36183044      7.59103890    -11.80208374
  O     15.88028542      9.09329412    -14.09290163
  H     14.18224271     11.13393483    -12.91806774
  H     16.00909140      8.69381757    -10.31349185
  O     11.53796857      9.75069451    -10.09947582
  H     15.32425872      7.02723122    -18.91266290
  H     17.22259488      9.59543360    -10.60168301
  O     10.83343507      7.42829205    -11.65419291
  H     14.88834320      8.02301559    -17.81746442
  H     13.11717300      9.31698044    -16.97067520
  O     18.93569256     11.05925546    -13.65298930
  H     15.54762671      4.82867534    -13.73451357
  H     14.26596324     10.29840038    -17.25471117
  O     17.34498608      7.21406990    -12.69156595
  H     16.25336925      5.65398751    -12.65440169
  H     13.93170948      7.97920450    -11.10928619
  O     16.97243590      8.68838205    -10.39303153
  H     17.63239407      9.90647788    -16.33417511
  H     13.26884146      9.12435630    -10.30046598
  O     13.90501653      9.44381239    -17.51556198
  H     17.95701939     10.90166763    -15.16077409
  H     13.70457248     11.68330774    -15.02747182
  O     14.11430234      8.80846821    -10.64431802
  H     16.62251854      5.66538778    -15.52783800
  H     12.69081934     10.55985709    -14.73913355
  O     13.10010009     11.34887975    -14.35366927
  H     15.57103981      5.98733580    -16.59773683
  H      8.86739594      8.51769161    -13.89331005
  O      9.78034732      8.76079938    -13.76616111
  H     18.13765520      6.53982293    -14.12113763
  H     10.12103597      8.20612916    -13.04115587
          69
 Energy    -248.39857921754833     
  O     14.33300783      6.15295175    -15.83141890
  H     13.99758438      6.81382263    -16.44975133
  H     19.49903621      6.50103102    -16.56477150
  O     18.29482753      7.67501887    -11.91698953
  H     14.75214811      5.43894258    -16.33056735
  H     19.34754636      8.50585677    -18.44618857
  O     19.77407999      6.57961533    -18.38020052
  H     19.10637517      7.81162128    -12.41853380
  H     19.07361153      9.69861980    -17.50181408
  O     17.16961381      5.96077091    -18.79059914
  H     17.67130255      8.33093763    -12.26887663
  H     16.64860719      8.20369231    -14.58375913
  O     14.15567459      8.47125062     -9.91316775
  H     18.87056077      6.29426171    -18.60856789
  H     15.91940173      7.06255278    -15.36128718
  O     14.25074502      6.08154273    -13.10308436
  H     20.35932286      6.17205658    -19.01261851
  H     13.85032416      9.57379401    -15.94395225
  O     16.56459887      9.36163315    -13.11210882
  H     16.72052721      5.31391897    -18.23393737
  H     13.84409462      9.74116090    -14.40152165
  O     17.62413674      4.26196469    -14.93168289
  H     16.77790765      6.82091398    -18.58890039
  H     16.48946815      5.68908011     -9.55007659
  O     13.64800069      5.83210314    -10.36872080
  H     13.90338824      7.53422024    -10.00393398
  H     16.58709875      4.23420933     -9.02673134
  O     19.11484203     10.20236923    -15.74895768
  H     13.67603150      8.81238103     -9.16247058
  H     14.61750462      8.50301780    -17.74998514
  O     15.88330702      4.15285754    -16.99048549
  H     14.12945787      5.99267617    -14.05775799
  H     13.13642483      8.55790722    -18.20096483
  O     19.22791675      6.47489307    -15.63829526
  H     15.16208881      5.81978002    -12.90819281
  H     21.23274247      8.28167870    -13.86792249
  O     18.90505008      9.36019406    -18.39486143
  H     16.63531669     10.17035532    -13.63433918
  H     20.01077163      7.55921879    -14.48014430
  O     16.71846966      7.60337832    -15.33494698
  H     15.62768886      9.22566724    -12.91417811
  H     16.68614018      4.95546565    -11.54910223
  O     14.09225400     10.17274755    -15.22898288
  H     17.34620396      4.50688936    -14.03938026
  H     17.40684522      6.09988088    -12.30305717
  O     16.22698321      4.76728408     -9.72988934
  H     18.32536697      4.88404482    -15.16520201
  H     17.43892672      7.58517266    -10.24691648
  O     13.69877629      8.36710138    -17.45489610
  H     13.67154830      5.80717683    -11.33553394
  H     16.04088222      7.91350856     -9.65426671
  O     20.27985359      8.24022068    -13.83960652
  H     14.41734825      5.32696808    -10.07715404
  H     13.87598383      8.87334017    -11.73957855
  O     16.85645017      5.31408336    -12.42916399
  H     18.27316134     10.59105488    -15.48301637
  H     13.94946023      7.85385006    -12.89249766
  O     16.84404011      7.40049476     -9.50720376
  H     19.42774046      9.66744066    -15.01273992
  H     16.46308313     12.30217013    -15.09936318
  O     13.89802064      8.80287615    -12.70256924
  H     15.68650793      3.24657564    -17.21180509
  H     15.66391646     10.98229206    -15.19172028
  O     16.54675941     11.35547056    -15.01905392
  H     16.51386808      4.13156694    -16.24693245
  H     17.16853334      8.95349868    -18.23634816
  O     16.35236109      8.54104170    -17.91915351
  H     18.34603485      6.87685247    -15.58108807
  H     16.52303783      8.30615080    -16.99477613
          69
 Ord_Energy   -248.398575    
 O   -7.25713062       2.52683330       8.04604912    
 H   -7.66763306       3.17742801       7.45405769    
 H   -7.84755135       2.41454268       8.78697872    
 O   -4.24181175       2.03922272       5.10213184    
 H   -3.29003596       2.09048176       4.94399595    
 H   -4.40430975       2.58144617       5.88605213    
 O   -1.53426242       2.64657879       4.76463270    
 H  -0.734525442       2.23706508       4.44690561    
 H   -1.63362741       3.48584604       4.27748013    
 O   -7.86375284       5.72370672      0.425651670    
 H   -8.42322445       5.69363976     -0.346192658    
 H   -8.36055470       5.29828167       1.14803076    
 O   -8.23943043       8.26833248       4.58510780    
 H   -8.90138245       7.57721186       4.70022583    
 H   -7.89585209       8.17197514       3.68534994    
 O   -6.21916437       8.65955353       6.30428934    
 H   -6.98341894       8.58784866       5.70261908    
 H   -6.42849016       9.33256817       6.94590044    
 O   -3.93612099       8.78765678       4.54088879    
 H   -4.69656849       8.86338043       5.12951660    
 H   -3.34633541       8.14756107       4.95881462    
 O   -5.48203707       3.13547421       2.84056520    
 H   -5.51362514       4.07270098       3.08394551    
 H   -4.97737503       2.69441438       3.53751731    
 O   -5.24171305       4.52469635      0.377538174    
 H   -5.29327393       3.84169507       1.05988336    
 H   -6.12960863       4.89623451      0.312492669    
 O   -4.71629429       3.60241961       7.40630531    
 H   -5.48705149       3.17788744       7.80122185    
 H   -5.01945877       4.45591831       7.06662798    
 O   -4.43488598       8.84453487       1.86843753    
 H   -4.22622204       8.86159706       2.82069373    
 H   -4.09251642       9.65337276       1.49742889    
 O   -6.76511431      0.811873913       5.73739243    
 H   -6.90528345       1.19255519       6.61153460    
 H   -5.85510492       1.03277326       5.49631739    
 O   -9.95300388       6.02317190       4.94305611    
 H   -10.8209677       5.93769550       5.33066750    
 H   -9.36020565       5.44569206       5.45096588    
 O   -1.89581513       5.06089306       3.63268304    
 H   -2.15771794       5.64773417       4.35321426    
 H   -2.30019927       5.41870165       2.83240938    
 O   -5.66390753       5.94583082       6.19744444    
 H   -5.87802649       6.86794567       6.39196777    
 H   -5.57319736       5.87015104       5.23150015    
 O   -5.48852158       5.82049179       3.52801800    
 H   -6.13598442       6.41748428       3.13324356    
 H   -4.67704821       5.92945051       3.01331949    
 O   -2.80159235       6.54841471       5.88710928    
 H   -2.34901214       5.86428881       6.40460348    
 H   -3.73939013       6.38731861       6.03548002    
 O   -7.01081705       7.73955202       2.16042519    
 H   -7.28771448       7.15991783       1.43858385    
 H   -6.18551111       8.17726707       1.91319644    
 O   -9.18148232       4.63934708       2.52965236    
 H   -9.53936195       5.18270779       3.24009037    
 H   -8.86470699       3.83014417       2.95289302    
 O   -7.91395187       2.60548949       3.99083638    
 H   -7.11646795       2.76118469       3.46265364    
 H   -7.69967747       1.84570539       4.55041218    
 O   -8.04494953       4.38818455       6.11153507    
 H   -7.25836134       4.94772530       6.13996410    
 H   -7.96170187       3.78668761       5.35393143    
 O   -3.45570683       6.18725538       1.63976324    
 H   -4.01119184       5.64651871       1.05615819    
 H   -3.69847250       7.11280012       1.52409947    
 O   -1.94610202       4.24683857       7.14883041    
 H   -1.67713070       3.64489555       6.44404030    
 H   -2.81810069       3.94020128       7.42963743    
          69
 Energy    -248.39838532027767     
  O     11.10180217      9.92730835    -13.91287806
  H     11.53894820     10.58469223    -13.35860001
  H     15.56653386      6.36379504    -16.14394681
  O     15.87920989      6.18483947    -14.34229013
  H     10.89081465      9.16767976    -13.35592041
  H     15.47217587     11.80971962    -14.12447516
  O     16.19108882      8.99042701    -10.02469874
  H     16.79978372      6.28238964    -14.07497202
  H     14.51451204     11.94013425    -15.31627190
  O     16.79467222     10.54456049    -13.68302176
  H     15.37486550      5.84203947    -13.59077067
  H     14.07546941      8.83028413    -14.64473550
  O     12.47491299      6.55031549    -16.69022715
  H     15.38562586      9.24138642    -10.49944451
  H     15.13692411      7.82625213    -14.11285184
  O     14.75127002      6.82226573     -8.88417741
  H     16.82609841      9.69410036    -10.21658125
  H     10.98170181      6.82616969    -13.12189593
  O     14.22532568      5.40458225    -12.25725427
  H     16.06558463      9.91100258    -13.76264530
  H      9.61309950      7.14475634    -12.47556325
  O     13.93207068      9.59650816    -11.51894359
  H     17.49697358     10.19744419    -14.24543312
  H     17.10253866      6.06354238    -10.86870884
  O     16.31713528      9.21884826    -17.12332360
  H     12.53111018      7.49473757    -16.45802624
  H     17.11460890      7.60646453    -10.83151409
  O     15.95136343      4.74134748    -10.12255046
  H     11.80681325      6.47296636    -17.36675282
  H     12.20549239      5.88994292    -14.93348817
  O     18.57461233      9.07626733    -15.28813400
  H     15.28798146      7.60255985     -9.07987831
  H     12.76512690      5.42899686    -13.55709988
  O     15.30859600      6.64402771    -17.03325258
  H     13.92151321      6.94219349     -9.36553633
  H     17.42868946     10.87600150    -12.00561061
  O     14.64123257     12.21781995    -14.40058020
  H     13.70697963      6.06870623    -11.78047928
  H     17.98254726     11.91329906    -11.01605623
  O     14.73753744      8.69082025    -13.95711207
  H     14.79301653      4.99600900    -11.59257366
  H     19.24498550      6.10830213    -13.68521217
  O     10.50954609      7.46120955    -12.55241264
  H     14.19418597      9.22741687    -12.37741182
  H     18.27151013      6.87576569    -12.75792588
  O     17.53979344      6.83951108    -11.23707954
  H     13.49727224     10.43611380    -11.70500716
  H     14.37293847     11.56037532    -17.84412199
  O     11.96536790      5.71033577    -14.01634661
  H     17.10096687      9.16970637    -16.56805210
  H     15.12503719     10.45361690    -17.06591939
  O     17.75889758     10.98982660    -11.10020854
  H     15.96773910      8.31617949    -17.17919011
  H     11.84400886      7.28220964    -11.23403905
  O     18.58910722      6.80083008    -13.67777528
  H     16.13340514      4.00897500     -9.54080330
  H     13.09474514      8.13628767    -10.97273307
  O     14.39959743     11.10367554    -17.00793312
  H     15.52269855      5.43069774     -9.58150812
  H     13.36876955     12.05283127    -13.21812018
  O     12.69607691      7.27307973    -10.78303514
  H     18.59741884      8.27832654    -14.73621024
  H     12.41469929     12.73210209    -12.20725263
  O     12.69266305     11.88226399    -12.53756920
  H     19.46704396      9.22307743    -15.59306524
  H     13.18718788      9.87168651    -16.34553999
  O     12.74457908      9.13320297    -15.91093258
  H     14.35344058      6.51689467    -17.06312947
  H     12.10223273      9.47592505    -15.26945323
          69
 Energy    -248.39830016659027     
  O     14.24471761      9.05502278     -9.21231627
  H     14.74519167      8.24886707     -9.03763635
  H     17.56394852      5.35008778    -15.33159273
  O     14.96855014      9.39182098    -15.16788223
  H     14.85550074      9.64920120     -9.66868708
  H     18.44075230      6.94702906    -10.94072427
  O     18.81983083      6.16610548    -12.50868417
  H     14.02356179      9.47292871    -14.98522627
  H     18.48295659      8.32820647    -10.23377176
  O     14.81819974     12.52535645    -12.41074509
  H     15.07651071      8.53479292    -15.60250523
  H     15.66934884      8.82815264    -13.59216647
  O     12.74573640      5.49065818    -14.65432018
  H     19.19914007      6.64875086    -13.25191026
  H     17.07310671      8.71127200    -12.96092921
  O     12.24196179      9.12909225    -14.62696706
  H     18.38280788      5.40068297    -12.90069300
  H     11.18046333      9.28701395     -9.91015729
  O     14.95738934      6.36365653    -11.63634045
  H     14.58587977     13.44498303    -12.31495666
  H     12.71713154      9.13530722    -10.01595705
  O     18.63096575      9.79321939    -13.36405959
  H     13.98177236     12.03599671    -12.51400078
  H     12.33520622     10.54874823    -13.39408164
  O     12.27750646      7.33495770    -16.84985552
  H     12.53111108      6.04070405    -13.88711776
  H     12.29816086     10.51444167    -11.85588010
  O     19.59870629      7.71296555    -14.80569663
  H     12.32305631      5.91285594    -15.40928543
  H     16.60654098      4.05126207    -13.78902768
  O     16.68402316     11.46553875    -14.34905172
  H     12.07673751      8.62391068    -15.43164554
  H     17.83217794      3.13810131    -14.02250922
  O     17.50719162      6.11290432    -15.92191016
  H     12.33320150      8.48212686    -13.91039997
  H     14.45095525      6.25461878    -15.48549653
  O     18.19148812      7.41744307    -10.13020797
  H     15.19299251      6.36625876    -10.70194538
  H     15.82894710      6.53591965    -16.15455576
  O     16.13974619      8.52860956    -12.80266928
  H     15.47255063      7.06992478    -12.05645846
  H     14.12625208      4.41383120    -13.89329708
  O     11.89518914      9.20111883    -10.53519554
  H     18.80945218     10.01390220    -12.44263933
  H     14.96894129      4.90845597    -12.70695875
  O     12.55186634     11.06454877    -12.60719435
  H     18.02409570     10.46058552    -13.72225281
  H     19.09290178     10.83513966     -9.94863686
  O     17.56203236      4.05116358    -13.97802914
  H     12.03694609      7.27408239    -17.77078409
  H     17.73453819     10.42413513    -10.56600198
  O     14.89455198      6.79492206    -16.14940905
  H     13.23941990      7.19886370    -16.80512908
  H     13.35375753      6.97093246    -12.17743642
  O     14.93824468      4.23717919    -13.40532517
  H     20.45572422      7.90439201    -15.17775236
  H     12.16086411      7.88304868    -11.82876061
  O     18.68919729     10.23749753    -10.57259145
  H     19.30712322      8.52025702    -14.34808300
  H     16.72714252      6.97186857     -9.36587159
  O     12.51214232      7.30758935    -12.51928538
  H     16.10426537     11.92892178    -13.73372558
  H     16.01938969      6.10906752     -8.29306168
  O     15.85594383      6.72153464     -9.00459231
  H     16.11387496     10.82996903    -14.80444937
  H     15.95220093      9.79998482    -11.51079929
  O     15.97752449     10.51813429    -10.85954953
  H     18.21242523      6.70891164    -15.64376675
  H     15.60814268     11.29582946    -11.29646096
          69
 Energy    -248.39823636572476     
  O      0.85305525      0.02894892      3.24137181
  H      1.14125765      0.94518839      3.32969613
  H     -3.11829558      0.24775055      3.45669308
  O     -2.79557072      0.03597547     -3.24949727
  H      1.22886913     -0.30055874      2.41098853
  H     -2.75771392      0.72150156      5.46426075
  O     -0.57040751     -1.35794870      5.17808606
  H     -1.94756432      0.42583095     -3.00234147
  H     -2.41904802      1.13969950      6.91464898
  O     -4.27536658      0.19721338     -0.92913423
  H     -2.66417523     -0.91936669     -3.20106065
  H      1.05394270      2.52612630      1.30341297
  O     -2.42860472     -2.74759377     -2.56142879
  H     -1.01887083     -0.62222647      5.60975704
  H     -0.21817861      2.36275227      0.46676086
  O     -0.31280080     -1.79265312     -0.90581842
  H      0.05515039     -0.95086639      4.56161451
  H     -3.04299314      1.30596922     -0.19200836
  O     -3.03062221      3.31044352      2.31876454
  H     -3.91091030      0.25764150     -1.82407929
  H     -1.60296764      1.49526751     -0.66443209
  O     -4.45768943     -2.40685605      3.76491868
  H     -4.13865809     -0.71849696     -0.65069476
  H     -0.89105610      0.18452153      2.62888597
  O      1.38141896      2.80774526      3.11860482
  H     -2.60743372     -3.54354290     -3.05610482
  H     -1.87715834      0.71141076      1.52634110
  O     -0.39873218      0.83564162     -1.88259956
  H     -3.02986634     -2.75139574     -1.79778860
  H     -3.14536170     -2.56764232      0.38611612
  O     -5.56751222      2.13102765      2.94063755
  H     -0.86847079     -2.19561759     -1.58379121
  H     -4.69405284     -2.61596637      0.30550123
  O     -3.82248089      0.29575610      4.12316395
  H     -0.68815673     -2.08249972     -0.06167193
  H      1.41255512      0.45660519      0.51579018
  O     -2.02853366      0.95766505      6.06340808
  H     -2.80405012      2.95356573      1.45269925
  H      1.16820048     -1.00660222      0.07921434
  O      0.73469025      2.23684929      0.43683484
  H     -3.92567597      3.00149746      2.50520165
  H     -1.76493888      3.13671902      3.61645521
  O     -2.21176788      1.74409662      0.04416870
  H     -3.61420153     -2.85391483      3.89896678
  H     -1.34606817      2.35291885      4.89433280
  O     -1.78596242      0.10556090      2.27127249
  H     -4.30539674     -1.47821251      3.98754061
  H     -1.53347569     -4.27456918      4.49494153
  O     -3.89473429     -2.51396224     -0.22592442
  H      2.00637323      3.38561861      3.54683685
  H     -1.36493988     -2.73834013      4.49019713
  O      1.67832390     -0.45801775      0.68538993
  H      0.51747020      2.95170345      3.54922957
  H     -1.75895299     -1.55383181      1.71504191
  O     -1.03709855      2.98502078      4.23723577
  H     -0.31398043     -0.06939036     -1.54358805
  H     -1.65965278     -2.99775156      2.23888225
  O     -1.81616679     -3.48098433      4.04881916
  H      0.31479930      1.34574916     -1.48911927
  H     -5.48691886     -2.50958684      2.38911017
  O     -1.68790918     -2.47805713      1.42786218
  H     -6.33826550      2.62983656      3.19725169
  H     -6.77846622     -3.07269217      1.74627387
  O     -6.03005597     -2.50621723      1.57946205
  H     -5.85381351      1.50692666      2.24923325
  H     -6.25791468     -0.62278694      1.26714787
  O     -6.21684346      0.31822162      1.06101237
  H     -4.47192198      0.93516783      3.80616865
  H     -5.65929868      0.39277787      0.27430841
          69
 Energy    -248.39814964939848     
  O     11.96593389     10.58041444    -15.39566089
  H     12.37040707      9.88430114    -15.93033248
  H     15.64105141      5.64164870    -14.87715328
  O     15.71438797      6.42283605    -13.14872624
  H     12.59170790     11.31435641    -15.39849343
  H     19.67098346      7.43719226    -13.87695105
  O     17.43463076     10.59325526    -12.27850114
  H     14.97135654      6.49264563    -12.53497843
  H     20.47157834      6.30990800    -13.20085521
  O     18.39020688     11.00812109    -14.82896360
  H     16.47291072      6.81915646    -12.69829078
  H     16.04139541     10.77740072    -17.23787411
  O     12.62685830      5.93144487    -15.96101951
  H     17.50508820     10.95556584    -11.38327389
  H     16.93856405     11.26697110    -16.06241101
  O     15.02273334      9.88766379     -9.26126478
  H     16.52029519     10.74386963    -12.56129072
  H     15.43127058      7.88388168    -14.15523222
  O     13.74671927      6.97082398    -11.25364161
  H     19.06260411     11.68600131    -14.80643734
  H     16.11498375      8.45445911    -15.40917579
  O     14.88284417     10.84645028    -13.25813257
  H     18.11188172     10.86866113    -13.90832337
  H     11.29139942      9.88627662    -13.95286292
  O     17.03501064      7.58955080    -16.79942564
  H     12.38988616      6.19170154    -15.05216290
  H     10.03830531      9.67569271    -13.07052972
  O     16.00192871      7.20823480     -9.55397458
  H     12.00391418      5.25923802    -16.22344535
  H     12.50991974      6.67240073    -12.67075014
  O     19.26697584      8.33024805    -15.33012736
  H     14.28900273      9.90737950     -9.88815051
  H     11.56875200      7.65623877    -13.39039024
  O     15.49147908      5.51867098    -15.82498033
  H     15.33025938      8.97300183     -9.24255805
  H     17.57922790      8.77696605    -11.88508079
  O     19.81594206      6.97977268    -13.03012075
  H     13.53793540      7.91615402    -11.30396098
  H     18.45464199      7.49927012    -12.05566003
  O     16.17492275     11.49403374    -16.60747840
  H     14.41366602      6.89099941    -10.56069870
  H     17.43302337     11.97053930     -8.92657726
  O     15.44444448      8.65149563    -14.74311425
  H     14.56934558     11.54763283    -13.83978550
  H     16.42704044     10.94934802     -9.48609794
  O     10.95847007      9.44008504    -13.15374305
  H     15.07139087     10.08001656    -13.82492319
  H     14.61526300      9.04599603    -17.86290917
  O     11.98803989      6.79079975    -13.47353148
  H     16.52347413      6.79440408    -16.57935510
  H     15.14862582      9.40048005    -19.27102296
  O     17.63068599      7.83636818    -11.67226010
  H     16.57465543      8.06161320    -17.50182861
  H     12.32779005      9.67148237    -11.88557122
  O     17.23273160     11.45094385     -9.69962539
  H     16.64231274      7.41881332    -10.25560247
  H     13.78799877     10.14579778    -12.02719427
  O     15.40716471      9.31911352    -18.35653575
  H     16.46238617      6.67057087     -8.91501154
  H     14.01060821     13.48884134    -15.45885361
  O     13.17586609      9.69520529    -11.42631070
  H     19.04513470      9.25907126    -15.19843321
  H     14.79908981     12.21090034    -15.83466083
  O     14.03885343     12.54556967    -15.32479422
  H     18.58493243      7.98106519    -15.92021369
  H     13.05446949      7.62948696    -16.56015815
  O     13.42271616      8.51898403    -16.63087669
  H     14.53517267      5.56337924    -15.93860472
  H     14.07262434      8.58966179    -15.91377722
          69
 Energy    -248.39805935205749     
  O     -5.63643936      3.32229054      1.70168676
  H     -5.15054068      3.90879339      2.31084442
  H      0.43950463     -1.38599724     -1.47727835
  O     -0.38880715      4.16745852     -1.86363478
  H     -6.54726088      3.32479243      1.98125454
  H     -2.04755728      2.77279073      4.76804730
  O     -2.33069650      0.95811328     -1.24584848
  H     -1.28256828      3.98069430     -2.17662404
  H     -1.68147778      3.43849975      3.41766233
  O      0.56182472      0.00381896      4.92852329
  H      0.06565673      3.31508870     -1.87019839
  H     -2.16863860      6.27086474      0.89748943
  O      1.39135042      5.29729066      2.27507140
  H     -2.61281621      1.68170699     -1.82037842
  H     -3.03980491      7.54245906      1.02717037
  O     -1.37392508      3.07923219      1.71599634
  H     -2.81879205      1.09350316     -0.42086788
  H     -4.38237123      2.04773783      1.34426521
  O     -2.10203752      1.03023873      5.21732371
  H      1.03147959     -0.50823903      5.58152919
  H     -3.50705607      0.82911603      1.80054000
  O     -2.96346004     -0.49644738      2.93151653
  H      1.03451500      0.85211557      4.84770755
  H     -3.73517623      5.59906878      2.59531815
  O     -0.29042151     -0.52744065      2.29990608
  H      2.03238810      4.58319213      2.17883789
  H     -3.41215199      4.57372572      3.71570095
  O      1.83143672      2.37464074      4.67361965
  H      1.08701901      5.25004647      3.18978069
  H     -0.54332228      1.29424979     -1.52962722
  O     -3.06864527      3.36836230     -2.52384139
  H     -1.25066488      3.90183603      1.22390808
  H      0.79538682      0.63029462     -1.93408304
  O      1.16717320     -1.14457622     -2.07503285
  H     -2.17661135      2.63638958      1.41305948
  H     -0.44611840      4.47157324      4.79992660
  O     -1.91864112      3.63041331      4.33867347
  H     -1.20241024      0.67960105      5.23694979
  H      0.36212828      5.44937655      5.68466789
  O     -3.06004396      6.59376598      1.12053400
  H     -2.55861804      0.51534742      4.54168445
  H     -3.95798617      5.37932196     -0.02936753
  O     -3.60302584      1.51930342      1.13114622
  H     -2.02361028     -0.52515336      2.68160306
  H     -4.90709408      4.18301758      0.14193450
  O     -4.13386654      4.97072956      3.21090187
  H     -3.28135099     -1.39579189      2.90086951
  H      0.80197865      1.57955802      0.08302964
  O      0.40088258      1.46960235     -1.65904544
  H      0.05030145     -0.48511415      3.20318862
  H      0.09931407      2.19157004      1.33265116
  O      0.43804283      4.84929300      4.94745551
  H      0.15461594      0.18881489      1.82406243
  H     -0.75415900     -1.26053653      0.55002344
  O     -4.36495431      4.64605108     -0.50688705
  H      2.34785826      2.53266383      3.87340352
  H     -1.53991411     -0.72960950     -0.67561106
  O      0.85643427      1.65811620      1.04506335
  H      1.39240516      3.21072599      4.87046302
  H      2.28197247      2.41757498      1.71061593
  O     -0.98908702     -1.45956525     -0.36389463
  H     -3.55470954      3.82941606     -1.81720012
  H      3.79966211      2.71967699      1.68478804
  O      2.99216724      2.91640133      2.15185778
  H     -3.51545305      3.57275545     -3.34120296
  H     -0.48334954      5.10130350     -0.36271889
  O     -0.68961463      5.48018786      0.50501402
  H      1.23435421     -1.85575448     -2.70662502
  H      0.10647035      5.49074361      1.05719390
          69
 Energy    -248.39804150651537     
  O     13.52769693     12.02999731    -13.97807277
  H     14.27623132     12.28617754    -14.52748844
  H     18.32378667      6.09674934    -14.87324483
  O     14.53541999      6.95754040    -12.96262055
  H     13.12634050     11.27622289    -14.43312178
  H     15.79821916     11.14910378    -16.93915219
  O     18.42814483      8.71106736    -12.47036278
  H     15.32767452      6.53904368    -12.60635380
  H     16.31463745      9.79913694    -17.49224030
  O     17.17409095      8.27785904    -16.82562784
  H     14.85520991      7.59375533    -13.62112412
  H     14.51361769      9.19532106    -15.07151237
  O     12.18356700      7.11726304    -14.46294091
  H     17.84949792      9.44420661    -12.72773443
  H     15.90083730      8.62753176    -15.53958333
  O     16.08569548     10.34554104     -9.36621928
  H     18.60600894      8.83175501    -11.52903358
  H     16.89930495      6.38267898    -10.33631678
  O     13.28288869      8.58857384    -11.11096681
  H     17.94825422      8.18261726    -16.25618194
  H     17.50669665      7.47737688     -9.44249396
  O     16.63162644     10.64667266    -13.24506133
  H     16.84896710      7.38694839    -17.01764129
  H     11.59921362      8.44444616    -11.83845284
  O     13.49580389      6.70172827    -16.95752724
  H     12.96713690      6.86648338    -13.95265459
  H     10.25609882      9.06036784    -12.25851517
  O     14.55862850      8.01422852     -8.67828546
  H     11.53385424      7.41076383    -13.80795844
  H     19.03158718      8.14249473    -14.06265882
  O     16.02248464      5.73935399    -17.02781740
  H     15.56419309     10.77627183    -10.05584035
  H     20.19549039      7.85959124    -15.03602653
  O     17.71319620      5.36508058    -14.72184558
  H     15.52084591      9.64810898     -9.01023743
  H     17.28978356      5.72514048    -13.00054179
  O     15.67006750     10.50371342    -17.64472557
  H     13.73286465      7.99545332    -11.73118001
  H     17.50566036      7.06276270    -12.26125557
  O     15.35454211      8.82668783    -14.77048955
  H     13.60645233      8.36490281    -10.22939528
  H     17.66258765      9.63945253     -9.59391718
  O     16.84267469      6.77738777     -9.45554681
  H     15.98727436     10.87426882    -12.56068661
  H     19.11224800      9.47852764     -9.07757034
  O     10.80526667      8.28844854    -12.37400041
  H     16.19219024      9.97625506    -13.79508338
  H     14.12581952      9.78651415    -18.00686202
  O     19.24596293      7.81432135    -14.95149044
  H     13.37535923      7.54025501    -17.41912451
  H     12.88114427      9.62983292    -18.91431518
  O     17.08607734      6.19576897    -12.17916046
  H     12.94475990      6.74121828    -16.16546655
  H     14.06369327     11.52607861    -12.31726015
  O     18.48711668      9.13207578     -9.70850197
  H     15.33875912      7.49027489     -8.93539362
  H     14.00827771     10.25832000    -11.42301130
  O     13.26448482      9.33911881    -18.09143641
  H     14.25634310      7.66685089     -7.84360012
  H     16.38962176     11.79983931    -14.64835312
  O     14.47814676     11.09365741    -11.55604921
  H     15.09585948      6.03289229    -16.97058665
  H     16.56999226     13.11335565    -15.43698520
  O     16.07171013     12.29914241    -15.41771381
  H     16.04663938      5.04861706    -17.68528405
  H     12.44564057      8.86746181    -15.04037589
  O     12.76689774      9.71796700    -15.36946932
  H     17.07432630      5.40387903    -15.44348919
  H     12.77558720      9.66864047    -16.33420954
          69
 Energy    -248.39788748457386     
  O     15.55254820      9.86935134    -16.61138644
  H     14.95643120     10.50510854    -16.20026493
  H     18.29179670      5.31708824    -10.84051621
  O     15.18357714      5.46621847    -12.54120682
  H     15.78725561      9.23026648    -15.91830707
  H     17.35906158      9.93103559    -16.94910014
  O     20.07928667     13.22030913    -13.03666533
  H     16.03760432      5.54024561    -12.09215638
  H     18.60489861     10.47281677    -16.26164234
  O     19.12628751      7.64040495    -15.39262599
  H     15.36960523      5.31523975    -13.47608024
  H     17.40437844      8.02897074    -14.73466901
  O     13.50734072      6.92840695    -16.37194299
  H     20.50801310     12.52063795    -12.51168614
  H     16.27293716      8.49818554    -13.75334626
  O     18.81440878     11.01686736     -9.65836353
  H     20.72293239     13.91346101    -13.15318309
  H     13.46233966     10.46713031    -14.76659856
  O     15.86108011      9.22930179    -12.12932776
  H     18.96144430      8.35314304    -16.02803556
  H     13.02973509     11.90258881    -15.15528575
  O     18.60634144     11.40137266    -14.60714966
  H     18.91442449      6.80903731    -15.83355179
  H     18.43788125      9.32821647    -10.34400205
  O     13.64231878      7.57125051    -11.92442643
  H     14.16875813      6.30411947    -16.04535947
  H     18.78114553      8.73103523    -11.72997853
  O     18.13800521      5.45325567    -16.90233925
  H     13.84557647      7.23773402    -17.21910979
  H     13.10429999      8.18471807    -15.10755903
  O     15.75558451      5.58984975    -15.30344709
  H     18.75899172     11.36157170     -8.77123530
  H     13.13176969      8.41343664    -13.57646213
  O     17.61486243      5.87341162    -11.21912231
  H     18.36698249     11.66004714    -10.23746764
  H     20.38603509     11.05863439    -10.80353265
  O     18.32462314      9.85406050    -16.94979676
  H     15.08959526      8.68903926    -11.91485948
  H     20.73467442     10.35018820    -12.12300207
  O     16.45429511      8.17222984    -14.64302286
  H     16.61001092      8.94951142    -11.58763194
  H     19.68736981      8.52034445    -13.88666975
  O     13.79417444     11.35037520    -15.01936172
  H     19.13001525     12.11245521    -14.21726420
  H     19.28137125      9.98588410    -13.65082394
  O     18.27013225      8.57287347    -10.92098702
  H     17.70483372     11.49568858    -14.26688045
  H     17.07124647     12.51238126    -12.04780011
  O     12.99343194      8.85751148    -14.41965502
  H     14.14231867      6.76358628    -12.14602158
  H     18.48656987     13.11223767    -11.94635236
  O     20.97230850     11.10615500    -11.56896444
  H     12.98726678      7.32086152    -11.27925406
  H     17.94398209      8.36350864    -18.23198567
  O     19.67024519      9.21384208    -13.21462033
  H     17.92552923      6.13704113    -17.56322325
  H     16.62989052      7.69144354    -18.69123552
  O     17.74456561     12.79682046    -11.41594468
  H     18.57993385      4.74869269    -17.36867896
  H     15.30159433     11.70792666    -13.93881410
  O     17.57359771      7.53432494    -18.55534813
  H     16.50998283      5.34431150    -15.84940006
  H     15.98846232     10.81559278    -12.88649734
  O     16.09022030     11.63910308    -13.38937609
  H     15.92266189      6.50919252    -15.03833386
  H     14.32612152      8.64500846    -19.32874642
  O     14.81216406      8.20179273    -18.63751853
  H     17.88239704      6.78382259    -11.02516396
  H     15.00528968      8.86937149    -17.95567072
          69
 Energy    -248.39756961685964     
  O     16.73606198      9.16386292    -17.56470984
  H     16.97803886      8.84394074    -16.67909916
  H     18.76135447      6.06613013    -12.37082565
  O     15.60616662      6.09934306    -12.71925464
  H     15.99628105      9.77084766    -17.43388701
  H     20.26002148      9.98666191    -17.23441470
  O     18.08390730     14.05401797    -12.91477560
  H     15.80455303      5.77034696    -13.60829912
  H     21.70150298      9.60316847    -17.65753842
  O     20.22320504      8.42184378    -14.63080008
  H     16.43878048      6.04456426    -12.23529578
  H     18.38109464      8.25006210    -14.93701525
  O     14.95259165      6.80980146    -17.29520862
  H     18.71093178     13.72172325    -12.26015901
  H     17.17426333      7.27181916    -15.12476228
  O     17.23298598     11.52112304    -10.32790529
  H     17.20779999     13.87979579    -12.54858626
  H     14.21358453     11.65255040    -17.16379932
  O     15.38636053      8.71747383    -13.36707532
  H     20.58348581      8.72509597    -15.47342137
  H     14.85293366     11.19812129    -15.83226425
  O     17.99982533     12.01453884    -14.75390152
  H     20.15243871      9.18295659    -14.03958961
  H     16.77177231      8.95465892    -12.08602578
  O     19.69502459      5.83732809    -13.82654586
  H     15.51162412      7.49635545    -17.67090809
  H     17.87287112      8.07771462    -11.45779776
  O     18.94142713      4.99163536    -16.48096443
  H     14.30584204      7.28644181    -16.75280184
  H     13.95214899      8.51965438    -14.78780544
  O     16.44767163      5.60264889    -15.35083604
  H     18.11362793     11.90600908    -10.42048340
  H     13.71919304      9.34683093    -16.05907116
  O     18.24792821      6.26478999    -11.56772071
  H     17.32070503     10.59369424    -10.58311894
  H     19.82144573     11.81299864    -11.76919035
  O     20.93221615      9.28096646    -17.19665802
  H     15.25693550      7.81915061    -13.02371464
  H     20.65561614     12.64993861    -10.77181372
  O     17.42902760      8.20576081    -15.08134070
  H     16.10972500      8.63897698    -14.01257054
  H     18.83813157      9.95369479    -12.46658978
  O     14.64922701     10.91694279    -16.73956343
  H     18.10916431     12.83789491    -14.25501807
  H     18.97888005     10.99610698    -13.62144400
  O     17.58036184      8.99294914    -11.56068484
  H     17.08622908     11.73622464    -14.61255338
  H     14.94457813     13.48719992    -11.32388512
  O     13.49443944      8.50963490    -15.63500737
  H     20.03492013      6.71346998    -14.06072512
  H     16.11465583     12.47592436    -11.26217722
  O     19.77905775     12.54682331    -11.13310413
  H     19.48859977      5.41343553    -14.66657778
  H     19.73656402      7.91062268    -17.78358995
  O     19.47460179     10.49624794    -12.95548258
  H     19.23580079      4.26985198    -17.03051673
  H     18.22587215      7.86891854    -18.06091146
  O     15.58254895     13.02764336    -11.86357003
  H     18.97877878      5.79278547    -17.03180097
  H     15.24571747     10.48911972    -13.74806305
  O     19.00176724      7.30839556    -17.95657301
  H     17.23355182      5.21017853    -15.74891364
  H     15.31700446     11.99611848    -13.36181019
  O     15.33169853     11.38311647    -14.10849996
  H     15.86649895      5.89099599    -16.07237496
  H     18.62746490     11.46209237    -16.39196367
  O     18.88836872     11.02269088    -17.21288204
  H     18.57906060      5.68870624    -10.88349694
  H     18.13108457     10.48851453    -17.48053458
          69
 Energy    -248.39755889032941     
  O     11.98073216     10.49368881    -14.46914715
  H     12.35420800      9.74622726    -14.94791925
  H     15.79516353     11.50318353    -16.45757467
  O     16.35888565      6.80490681    -13.23534576
  H     11.56184010     10.12006659    -13.68410678
  H     15.91345501      8.47977976    -13.82630981
  O     17.54141263     10.84561634    -11.53127085
  H     15.63572390      6.75763404    -12.59440355
  H     16.16392882      9.74734024    -14.71971479
  O     17.31121018     10.64343115    -15.80320067
  H     17.13398853      7.13752990    -12.76206007
  H     11.36218915      8.30414117    -12.59248702
  O     14.83831616      9.13316466     -8.45489926
  H     17.55555247     10.75876808    -10.56939694
  H     10.12510225      8.93114715    -11.90166949
  O     14.31408672      6.97139365    -11.39802011
  H     16.64025023     11.09440084    -11.78172569
  H     17.23952466      7.11374031     -9.14915242
  O     14.95303909     11.32181423    -12.41126028
  H     17.95350843     10.98713567    -15.16942698
  H     18.26750043      7.64242934    -10.18387389
  O     15.42329228      6.51129000     -8.85414597
  H     17.68988560      9.85085700    -16.20842013
  H     12.63932098      7.26699619    -14.16889479
  O     18.25281087      8.15112329    -16.63575216
  H     15.65110310      9.64571270     -8.53435823
  H     12.94839630      6.78819909    -12.72268948
  O     16.05167459      6.68015827    -15.98429569
  H     14.27823924      9.38597309     -9.20240637
  H     19.66032524     12.13541942    -13.61309217
  O     19.82637203      8.62613494    -14.25488322
  H     14.65753029      6.64312029    -10.55786060
  H     18.59121788     11.25254344    -12.93144272
  O     14.91168988     11.79543032    -16.71877208
  H     14.05697028      7.89089808    -11.23988805
  H     18.05116373      9.03532305    -11.83594288
  O     15.54452878      9.32658865    -14.10860055
  H     14.50440747     11.97931706    -12.95517106
  H     19.01315908      8.19370936    -12.71372946
  O     11.01568196      9.11947863    -12.18421503
  H     15.11737108     10.56706335    -13.00320837
  H     17.96464733     10.60001177     -8.04551437
  O     18.04275640      7.63961180     -9.24267639
  H     15.17489169      5.95686476     -8.11921030
  H     17.74800445      9.31561769     -8.88253966
  O     12.23136328      6.99997585    -13.33441225
  H     15.17635299      7.42423249     -8.61649771
  H     14.05716274     10.46926814    -17.52065991
  O     19.09583991     11.37894569    -13.75208050
  H     17.47286116      7.59870639    -16.45224558
  H     13.22332970      9.92036834    -18.69364264
  O     18.39953535      8.14381230    -11.96607575
  H     18.62792520      7.82884308    -17.45128755
  H     13.91508616     10.27702501    -11.33988004
  O     17.48747744     10.25116383     -8.79388495
  H     15.15165187      7.00891570    -16.06465398
  H     12.55630717      9.52722733    -11.20403096
  O     13.60785237      9.67491230    -17.85699837
  H     16.18516079      6.51918696    -15.03765174
  H     12.96401998     13.50258625    -14.43245676
  O     13.44582878      9.59794002    -10.83639678
  H     19.73465538      9.58299425    -14.16661081
  H     12.91064920     11.95568325    -14.42016665
  O     13.50971753     12.72350171    -14.36555868
  H     19.36438197      8.38559639    -15.06716546
  H     13.47167188      8.62962570    -16.45213650
  O     13.48603448      8.21138479    -15.57685638
  H     14.50685748     12.18431963    -15.93516707
  H     14.18391445      8.64882520    -15.06482046
          69
 Energy    -248.39720618490864     
  O     17.04396187      9.54761044    -10.23631156
  H     16.30232804      9.32493641    -10.81671856
  H     14.48937459     11.37669740     -7.55633246
  O     13.51847308      5.54284040     -5.99705811
  H     17.67285005      8.81266045    -10.24091954
  H     13.52262055      9.01262177     -5.09668264
  O     17.93012590     11.93941207     -9.31818724
  H     13.07625759      4.77514644     -5.64616478
  H     12.39315990      9.95290223     -4.61523126
  O     11.76826381      7.37902934     -6.87117801
  H     12.82365320      6.14667772     -6.32264697
  H     15.19688729      6.94503702     -8.20172644
  O     14.78033707      8.86477245    -11.62789041
  H     18.17211849     12.51003175    -10.04291145
  H     14.55783379      5.70593475     -7.52445924
  O     18.79635085      7.42418753    -10.00648243
  H     17.60904936     11.10843438     -9.71021572
  H     19.92766826      7.54984344    -13.08890716
  O     19.65230693      8.03178752     -7.36236712
  H     11.71221138      7.56817644     -7.81989433
  H     19.10708949      7.62305366    -11.79281352
  O     17.15718344      5.26753041     -9.99161424
  H     11.97210553      8.20982071     -6.42964627
  H     17.59243026     11.08829354     -4.23330849
  O     11.78520323      7.92143765     -9.58163535
  H     14.13251590      9.50705676    -11.31296391
  H     17.41385955     10.03116445     -5.34692796
  O     16.00342052     12.20662052     -7.22497515
  H     14.46005796      7.99860017    -11.33564585
  H     17.31941477      7.54145430    -13.27540869
  O     12.87028126     10.50117268    -10.33507079
  H     18.25651224      6.61629443     -9.99016652
  H     15.86078226      8.00484049    -13.00208556
  O     13.74188699     10.79218794     -7.76119073
  H     19.14567971      7.56437477     -9.11992103
  H     14.86595585      9.34666782     -7.94050273
  O     12.83668370      9.63498325     -5.39734181
  H     20.49506193      7.74096181     -7.02246955
  H     16.10615640      8.99265600     -8.80046511
  O     15.03675634      5.99549715     -8.30907989
  H     19.67278926      9.00598087     -7.36899739
  H     19.07708401     11.20243476     -8.01269225
  O     19.06397385      7.77230878    -12.75000958
  H     16.46508306      5.39947481     -9.32930722
  H     18.96760017     10.95030480     -6.49978177
  O     17.57694268     10.97463209     -5.18011675
  H     16.70213674      5.06346201    -10.81731753
  H     15.62338371      7.86394572     -4.96460133
  O     16.38995632      7.33086283    -13.44437726
  H     12.03637161      8.80225315     -9.87966813
  H     14.38398447      6.94169762     -5.04332896
  O     15.56258568      8.69083200     -8.06095616
  H     12.34756472      7.30974414    -10.07466486
  H     14.18580232      6.18070489     -9.89646079
  O     19.50075010     10.74220621     -7.27727922
  H     16.63357205     12.22803063     -7.95587852
  H     14.29262251      5.78851144    -11.38815743
  O     14.70402951      7.78001056     -4.68477521
  H     16.49480617     11.87327486     -6.46427821
  H     16.60308474      8.47357837     -6.65969129
  O     13.82515861      6.36912065    -10.77554398
  H     13.15570109     10.66305004     -9.41948377
  H     18.04265930      8.05644467     -6.29295967
  O     17.20561015      8.34120107     -5.90952448
  H     12.32780846     11.24386789    -10.58833827
  H     15.58250747      4.27529130    -13.07625309
  O     15.62894169      4.95467848    -12.40978790
  H     13.35474505     10.49190317     -6.92888167
  H     15.92640113      5.76846948    -12.85641423
          69
 Energy    -248.39664923699763     
  O     11.19928559      9.00760225     -9.46627588
  H     11.63261036      9.29786574     -8.65227367
  H     13.55461964     12.16130119    -14.19205785
  O     13.32121291      9.24383523    -17.33771839
  H     11.86965703      8.50869897     -9.94806791
  H     16.07456069      6.58131809    -12.86427513
  O     14.37773976      8.64884104    -14.82088687
  H     13.61849027      9.22875539    -18.24327225
  H     15.23142999      7.69160321    -13.51529938
  O     12.68869863     12.62677735     -7.87824508
  H     12.90576987     10.11333750    -17.19321510
  H     13.80484334     14.44664842    -11.92437543
  O     12.00245676     11.55898314    -16.82236091
  H     13.52378022      8.53477670    -14.37528437
  H     12.35177562     14.28812797    -11.41433199
  O     11.97066734      8.37084597    -13.47684753
  H     14.17403957      8.81532081    -15.74901595
  H     13.57075228      9.17107925    -11.05168121
  O     14.97641379      8.99656957     -8.69419667
  H     12.09879776     13.11506896     -8.46315590
  H     14.19102551      7.81262601    -11.52994016
  O     13.57754412     10.97230143    -11.14415691
  H     13.56763120     12.71014421     -8.27752366
  H     16.38217625     11.75351204    -12.71640084
  O     12.71315617      9.99408731     -7.26952571
  H     11.08625649     11.30388283    -16.66068586
  H     17.05449399     11.56155066    -11.33532592
  O     15.65133888     14.43411670    -11.38528199
  H     12.27574182     12.07689141    -16.05284420
  H     11.41836050     11.50922661    -13.82724754
  O     10.78417224     11.32520361    -10.87411479
  H     12.31088926      8.18341351    -12.59558797
  H     10.16262604     10.75435080    -14.34593235
  O     12.72668501     12.64133884    -14.33187671
  H     11.53787396      9.23660682    -13.44232254
  H     15.77538099     12.05365734     -9.30637305
  O     15.46049453      7.28354398    -12.66552561
  H     14.27146040      9.34250631     -8.13153181
  H     15.23822030     13.36861514     -9.94402408
  O     12.88637515     14.37699336    -12.21145377
  H     14.52841932      8.51560098     -9.39864093
  H     14.81969657     10.24862093    -14.02814140
  O     13.46491076      8.20569564    -11.02231785
  H     14.04566694     11.52057606    -10.50344799
  H     14.42512077     11.02356563    -12.72844440
  O     16.98283768     12.16888993    -12.08041240
  H     12.63808498     11.17873431    -11.06207894
  H      9.92306812      9.50143940    -16.12570991
  O     10.73384808     10.87003696    -13.57727124
  H     12.52285379      9.87884279     -6.34218740
  H      8.62105877     10.28596244    -16.42183958
  O     15.01688080     12.65090128     -9.33627878
  H     12.66052406     10.94995800     -7.44866165
  H     17.77053029     10.43610041     -9.12229828
  O     14.90296227     11.09382167    -13.57016254
  H     16.18012025     13.68318046    -11.71017079
  H     16.29500004     10.00977881     -9.26945512
  O      9.49074979     10.37032552    -16.04142504
  H     16.19090634     15.21410488    -11.48385316
  H     10.92041382     12.95586318    -10.27748599
  O     16.95876997     10.65358581     -9.57366323
  H     10.77875474     10.49373524    -10.37686349
  H     10.32519592     14.32728416     -9.88153684
  O     11.14630014     13.84677666     -9.95507814
  H     10.59915095     11.13918933    -11.80489983
  H     11.25117170      7.95563636    -15.21237973
  O     10.96992921      8.08458656    -16.12779456
  H     12.70748943     13.34184983    -13.66352317
  H     11.76604851      8.32437973    -16.61869499
          69
 Energy    -248.39653686790655     
  O     19.49315446     10.15556668     -7.25616441
  H     20.18971563     10.16617477     -7.93759758
  H     19.01797385      8.39121417     -6.61664098
  O     18.26984151      5.14016767     -9.63539799
  H     19.71576159     10.83562149     -6.62599579
  H     18.17609921     10.08071526     -8.53252194
  O     17.75302507      4.70543694    -13.51671123
  H     17.52929797      4.86362191    -10.19194051
  H     16.79183096      9.49477022     -8.96464969
  O     18.36508808      7.44900871    -13.25644125
  H     18.46689877      6.06080765     -9.88005151
  H     21.07359570     10.41456230    -10.16394064
  O     22.24180592      6.07629118    -12.18205006
  H     17.43889694      4.15050751    -14.22560946
  H     21.55800370      9.17609662     -9.38869278
  O     16.10754035      4.71031356    -11.35632193
  H     17.11216015      4.62637841    -12.78839750
  H     15.60984738      9.60235278    -13.78803303
  O     20.98909182      8.40642658    -13.27346366
  H     18.13601748      6.53002582    -13.44023369
  H     16.70996166      9.78196332    -12.71331914
  O     20.45175703      5.74321047     -7.74347023
  H     17.56756535      7.98318311    -13.36165824
  H     19.36508586      4.46777798    -12.50811600
  O     14.24566748      4.93817751     -7.48939462
  H     22.99917380      5.54926384    -12.42210145
  H     19.59363293      4.56611332    -10.99626485
  O     21.50595033      7.37163409     -9.78663062
  H     21.49225971      5.46260592    -12.08527009
  H     15.93607426      7.62069997     -8.13811735
  O     18.82461351      7.67534750    -10.47672396
  H     15.75839087      5.61468600    -11.32867879
  H     14.54435208      8.12644095     -8.59983435
  O     18.75628666      7.49418252     -6.38418878
  H     15.49205602      4.14012166    -10.87583892
  H     15.42174360      7.69853384    -10.34528141
  O     17.59821732      9.92009276     -9.28891250
  H     21.50520640      7.65155558    -12.96780644
  H     15.42443626      7.92704590    -11.87584150
  O     21.28599783     10.09779131     -9.27802050
  H     20.09083983      8.07478233    -13.41022950
  H     21.19448757     11.44398283    -12.45571522
  O     16.12721106      9.12779020    -13.14332318
  H     19.80092331      5.28230347     -8.28267093
  H     20.84237790      9.94018341    -12.45994024
  O     20.05755935      4.48086313    -11.83654947
  H     20.97090167      6.27151692     -8.36583383
  H     17.22225087      5.67510447     -8.17278782
  O     15.48264049      8.35575221     -8.57435815
  H     15.13205737      5.32803123     -7.39869437
  H     17.36546126      6.60402318     -6.94486325
  O     15.19499407      7.28812450    -11.19041676
  H     13.90656088      4.82801114     -6.60428071
  H     13.48668134      6.96117887     -9.99478916
  O     20.67683866     10.78335122    -12.00188522
  H     20.58415806      7.52986211    -10.04564022
  H     13.35577822      6.28092898     -8.61820687
  O     16.71916104      6.10528949     -7.47070197
  H     21.92573500      6.94951933    -10.54459421
  H     18.78008389     10.84715569    -11.99677345
  O     13.08940958      7.06034398     -9.12183813
  H     18.67644201      7.67313390    -11.43082370
  H     17.68495664     10.62789605    -10.93776127
  O     17.82468188     10.78154570    -11.88396709
  H     18.42866909      8.47244594    -10.10390639
  H     14.30598828      3.79342114     -8.92206094
  O     14.39583008      3.29954989     -9.75088007
  H     19.44366406      6.90903345     -6.73743263
  H     13.78334240      2.57032750     -9.69395836
          69
 Energy    -248.39644057042165     
  O     -1.58141592      3.61380802      3.77624562
  H     -1.70026135      4.13861531      2.97234393
  H     -4.04427662     -2.03853213      3.93779092
  O     -1.76570685      5.16112168      1.37729568
  H     -2.04356260      2.76758011      3.65822317
  H     -4.57109689      1.69586686     -1.21793855
  O     -0.43240567      0.28196199      2.17226428
  H     -1.42041925      6.04572076      1.28918929
  H     -4.13470738      1.46186117      0.23723855
  O     -4.55002162     -1.51489826     -1.26234554
  H     -1.14102720      4.56749963      0.92337600
  H     -6.90718557      2.96953943      2.67638904
  O     -1.87118325     -1.65049125     -1.04361582
  H      0.18025802      0.95666258      2.48573671
  H     -6.05435811      3.43972270      1.46221884
  O     -4.75772744      0.74699740      1.72272304
  H     -0.71515828      0.54756976      1.28383183
  H     -0.34922366      2.57506280     -0.00693771
  O     -6.79094248      3.08374512      4.55175371
  H     -4.97608222     -1.74468150     -0.42340050
  H      0.48592364      3.11026219      1.18117247
  O     -8.12877262     -0.95589231      2.25387171
  H     -5.05254414     -0.77511576     -1.62002477
  H     -3.49290434      4.12156326      4.16956435
  O     -2.72162426      1.09979425      3.48944684
  H     -2.83857811     -1.61492551     -1.15794597
  H     -4.42158564      4.22420498      2.95252362
  O     -6.04351954      0.81736387     -2.00875768
  H     -1.54339288     -2.28052018     -1.67969677
  H     -3.52699900      4.67012018      1.10242346
  O     -5.66812780     -1.84682112      1.24032372
  H     -5.53386180      1.30957167      1.82984761
  H     -4.21602571      3.48399705      0.41709972
  O     -4.02046659     -2.67457311      3.21562364
  H     -5.05774514     -0.15610727      1.55517912
  H     -3.62983697      0.08470122      4.66461471
  O     -3.91921495      1.97030871     -0.56198271
  H     -5.91265066      3.48908790      4.43888705
  H     -3.87076928     -0.57193859      6.04202342
  O     -6.74584733      2.82299877      1.73639222
  H     -7.29262757      3.66791087      5.11438003
  H      0.10393036      3.01280567      3.41350014
  O      0.00870761      3.38167719      0.38777393
  H     -8.89182550     -1.42445454      2.58135602
  H      1.62953596      2.84876426      3.60638030
  O     -4.41636008      4.21854938      3.91948636
  H     -7.71249653     -0.52810149      3.02368239
  H     -6.86993840      1.19494694      4.49855659
  O     -4.36569906      4.19310180      1.05942371
  H     -3.44626476      1.01309151      2.85077998
  H     -5.99576835     -0.06840594      4.63323737
  O     -4.21713138     -0.51346022      5.15476262
  H     -1.93656694      0.70725992      3.08379945
  H     -1.11743805     -1.47873860      2.04214241
  O      0.90644211      2.62540801      3.02612008
  H     -6.51955247      0.96026380     -2.82227180
  H     -1.77010331     -2.14978409      0.83230349
  O     -6.86086187      0.24342417      4.34040131
  H     -6.70759641      0.80910736     -1.29616496
  H     -1.39163569      0.09975418     -0.70106972
  O     -1.68148712     -2.21996798      1.78998439
  H     -6.56447009     -1.71353457      1.56840551
  H     -2.18122932      1.41181710     -0.51463501
  O     -1.31072539      1.00980858     -0.38511896
  H     -5.14027233     -2.25493218      1.94568067
  H     -7.57336379      1.66566981      0.58283029
  O     -7.81024586      0.88553585      0.06124997
  H     -3.16105097     -2.57335158      2.77702526
  H     -8.01840833      0.20263506      0.70898334
          69
 Energy    -248.39608887818849     
  O     16.86397046     10.32220693     -9.67559421
  H     17.02963128     10.08862373     -8.75576888
  H     20.06118690      9.39410765    -10.63942370
  O     18.92972868      6.14376462     -9.18118651
  H     17.73423876     10.34875143    -10.09680302
  H     15.48413274      5.55976896    -14.84628163
  O     20.53367618      4.39981950    -11.83937727
  H     18.86701921      5.20472743     -9.39626985
  H     16.12426560      6.75314667    -14.10072036
  O     18.77027555      5.84674080    -13.43575191
  H     18.54302835      6.60858760     -9.94206916
  H     23.17187466      6.14938744    -11.71680772
  O     18.37379211      3.61790339    -10.16964474
  H     19.93932791      3.96660300    -11.21552905
  H     21.69800220      5.69045981    -11.65005632
  O     20.82330498      7.65917734    -13.82593896
  H     19.94891777      4.77228476    -12.51495799
  H     15.44643363      2.34557898     -9.42801437
  O     20.31475960      9.39887441     -7.35658499
  H     18.52842536      6.41129278    -12.68384781
  H     15.14992805      3.21949833    -10.66010273
  O     15.72829108      4.34974309     -6.88857134
  H     17.93880677      5.65528195    -13.88075358
  H     14.27037014      5.88762648     -9.29241007
  O     17.98319920      7.49207812    -11.33114394
  H     17.63804039      3.94822628    -10.70591615
  H     15.56845942      6.66306062     -8.95195588
  O     17.58841830      9.49334783     -7.00658984
  H     17.98274530      3.06432424     -9.48275313
  H     16.03295018      4.97746659    -12.37986900
  O     15.42951988      8.65292114    -11.32002440
  H     21.43080043      7.36739906    -13.13762347
  H     15.72080383      5.30773692    -10.89246041
  O     19.33184009      9.92754735    -10.98001667
  H     20.14573505      6.96843009    -13.87644764
  H     19.75460178      9.02899779    -13.86096409
  O     16.05063462      5.78183134    -14.11243892
  H     21.09876003      9.64563024     -6.87168044
  H     19.26826244     10.36670793    -14.46650471
  O     22.27935757      6.47248541    -11.62447134
  H     20.62944653      8.93898589     -8.14959320
  H     16.96731069      7.75571992     -7.30355581
  O     14.73033259      2.65294093     -9.99773099
  H     14.84678258      4.40858612     -7.27697957
  H     17.60170812      6.57058434     -8.06502956
  O     14.94446598      6.46843903     -9.66594297
  H     16.11829364      5.22899272     -6.98331403
  H     13.74183758      3.75352287     -9.05330666
  O     16.08075722      4.62997633    -11.48212477
  H     18.48381672      8.31066997    -11.22400120
  H     12.43005139      4.24014738     -8.38929399
  O     19.09167508      9.73698969    -13.77188933
  H     17.05799109      7.76265953    -11.37650356
  H     15.91147630      8.68817707    -13.10008533
  O     16.79818079      6.85572576     -7.60443527
  H     18.55556865      9.47523748     -7.10524658
  H     17.22542816      8.89811850    -13.88910434
  O     13.35007452      4.45881138     -8.50694250
  H     17.39877071     10.06763026     -6.26856050
  H     21.53357210      7.54604258    -10.30642701
  O     16.35460419      8.49015135    -13.93897812
  H     15.82066619      9.31887938    -10.73186082
  H     20.31419210      7.29895002     -9.40049071
  O     20.95368260      7.97767801     -9.66714179
  H     15.05421437      7.95970429    -10.76165774
  H     17.10939674      1.56498072     -7.56067716
  O     16.91954529      2.26978951     -8.17384860
  H     19.38714039      9.97459635    -11.94468445
  H     16.54468673      3.00246056     -7.65266797
          69
 Energy    -248.39564759691663     
  O     12.46824916      7.61990467    -16.15978688
  H     12.44574705      8.58394600    -16.17914947
  H     19.22502383     12.65757378    -13.57981239
  O     17.26216720      7.67797128    -12.37297628
  H     12.15577175      7.33625658    -15.29168280
  H     15.53587080      9.66142210    -17.95793001
  O     14.96176551     11.52964472    -11.62092841
  H     17.43562867      8.57886402    -12.06981398
  H     15.95631921     10.67072887    -16.88125143
  O     16.01832970      4.69387819    -15.00905244
  H     16.51244398      7.35186032    -11.85547064
  H     16.23936569      8.18756110    -13.78877152
  O     13.62120426     10.07912214     -9.71909085
  H     14.49578686     11.15151999    -10.86151096
  H     15.50289247      7.95318590    -15.14834580
  O     14.94341072      6.98826810    -11.01252725
  H     14.50981025     11.21178546    -12.41596005
  H     11.03655796      5.89600351    -13.53792874
  O     13.72079716     10.31430575    -13.75705116
  H     15.64006268      5.37404006    -15.59505954
  H     12.57890802      5.96279810    -13.44074400
  O     18.40656637      8.23514565    -16.78666043
  H     16.04249467      3.88231553    -15.51020972
  H     17.75399708      9.75123980     -9.84307962
  O     15.37422803      8.15012192     -8.47680432
  H     14.16388451      9.47401814     -9.20042145
  H     18.70671483      9.08096118     -8.84217738
  O     17.31806564     10.56570638    -15.58094988
  H     13.13895828      9.52667245    -10.34966379
  H     14.77265568      4.95853003    -13.60888981
  O     18.30801129      6.41235092    -14.66176007
  H     14.21028730      7.53341281    -11.33377619
  H     14.46038553      5.63656270    -12.24819291
  O     18.41570481     12.16316467    -13.47828888
  H     15.08459337      7.24108136    -10.09241412
  H     15.81608333     13.02147271    -12.12809294
  O     15.22819118     10.43572065    -17.47189223
  H     14.42652060      9.68903148    -13.99152021
  H     15.86862586     14.50257208    -12.54416984
  O     15.69380209      8.60734883    -14.46544196
  H     13.26982270     10.52168867    -14.58283090
  H     17.97275398     10.89345877    -12.15357007
  O     11.77814831      6.49056273    -13.61614850
  H     18.44679571      7.58878820    -16.06664709
  H     16.57936212     10.69456563    -11.52037984
  O     17.79326585      9.32471019     -8.97282516
  H     18.22951273      9.09300633    -16.38057913
  H     17.16914197      8.07694414    -17.96589373
  O     14.06021244      5.17336658    -12.99523143
  H     16.24736267      8.56256586     -8.59180191
  H     16.67651476      7.82382448    -19.41314810
  O     16.38742086     13.70318079    -12.51922053
  H     15.31978471      7.86742156     -7.56758285
  H     13.00379411      9.17245044    -12.54422576
  O     17.48138281     10.34218294    -11.53380401
  H     17.69670527     11.13334322    -14.90206891
  H     12.26840942      7.82451968    -12.40790075
  O     16.37596145      8.03073032    -18.53313360
  H     16.76682733      9.90611747    -15.13182628
  H     12.18654076     11.04409058    -16.89151224
  O     12.74050976      8.49733365    -11.90237934
  H     18.12819018      6.80540501    -13.79766596
  H     13.62448592     10.48404310    -16.79404067
  O     12.74832386     10.48037514    -16.36690583
  H     17.63659113      5.72837554    -14.76845084
  H     15.41651191      7.12030177    -17.26065705
  O     15.01053843      6.73616211    -16.47413324
  H     17.73334026     12.79351384    -13.18679856
  H     14.07640141      6.99538167    -16.44854948
          69
 Energy    -248.39558959381390     
  O     -3.51277915     -2.32510579      1.14884619
  H     -3.60486100     -2.01436858      0.23049287
  H     -4.41948321      4.00077631     -2.93983889
  O     -0.99586434      4.02523200     -2.01401977
  H     -4.15289817     -3.02180615      1.26753474
  H     -0.25699007     -2.31586739     -2.56207185
  O     -3.29745660      1.35243797     -1.40331768
  H     -0.75634598      3.09173623     -2.04778307
  H     -0.63183771     -1.95618544     -1.10572786
  O      0.71768852      0.39852839      5.05753387
  H     -1.94901303      4.06673245     -2.16134855
  H     -1.15338798      3.64182770      2.90310509
  O      2.07610981      5.07439451      1.63915769
  H     -3.43437627      1.53221853     -0.46114966
  H     -1.72025727      3.29400361      4.28541683
  O     -0.84081548      2.98244441      1.31852586
  H     -2.33997651      1.28575401     -1.53341840
  H     -2.70276814      6.80338400      2.43350686
  O     -1.90550259      1.59537037      4.90032187
  H      1.13007521     -0.01839441      5.80912451
  H     -2.20554020      5.36449679      2.68046862
  O     -3.52268904     -1.44413213     -1.42609465
  H      1.30152334      1.12870387      4.78415223
  H     -2.52468064      2.40148202      1.24252012
  O     -2.81706966     -0.08560424      2.74239023
  H      1.33517512      5.31006602      1.06397252
  H     -3.98422892      2.90635833      1.12127427
  O     -0.06466186     -0.48900983      2.51610577
  H      1.76557907      5.19469827      2.54460808
  H      0.06006095      1.16435895     -0.98250542
  O      2.25813386      2.43848467      4.19697915
  H     -0.17128491      2.32156990      1.10777674
  H     -0.55628376      0.20666185     -2.01036781
  O     -3.84595715      3.92555327     -2.18109507
  H     -0.61102140      3.78814766      0.83890530
  H      0.13854197      4.72185100      4.19289195
  O     -0.72704006     -1.67598566     -2.03408246
  H     -2.35178286      0.99251827      4.29249000
  H      1.04583404      5.63401858      5.05244589
  O     -1.44306585      4.04285476      3.73878478
  H     -1.04149624      1.19797522      5.06488640
  H     -4.30380216      4.50606050     -0.37759558
  O     -2.46093855      5.99442239      1.98751765
  H     -3.62701012     -0.48522146     -1.48733789
  H     -3.85553694      5.12519613      0.97174168
  O     -3.44922750      2.10873701      1.23445195
  H     -2.63927100     -1.62252013     -1.77178559
  H      0.74985292      0.49275484      1.24949411
  O     -0.53312181      1.13583627     -1.74687076
  H     -3.14085977     -0.87789626      2.29691773
  H      1.84466645      1.54725990      0.85128671
  O      1.05350006      5.02392202      4.31940917
  H     -3.15095978      0.67082109      2.23665079
  H     -1.62864302     -2.54804224      0.82577637
  O     -4.51187574      4.54716297      0.56434404
  H      0.28605692     -0.30077585      3.39462859
  H     -0.32432569     -1.87102437      1.26897681
  O      1.03007794      1.11626363      0.56298312
  H     -1.01728451     -0.31912001      2.56658794
  H      4.09580299      2.68002514      1.20705980
  O     -0.70130131     -2.43526800      0.58198828
  H      1.90785138      3.32967252      4.31538978
  H      2.82940700      3.52722934      1.48253529
  O      3.19144872      2.62202739      1.50323694
  H      2.65726593      2.42380384      3.31900654
  H     -1.05609694      5.80347144      0.62307895
  O     -0.26770846      5.47017766      0.17940422
  H     -3.75475691      2.97537319     -1.99340067
  H     -0.52022259      5.08896389     -0.67725233
          69
 Energy    -248.39538330213725     
  O     -5.99772785      3.59892706     -2.08099768
  H     -6.02644481      3.37878485     -1.13959451
  H     -6.00855717      0.17227380      2.07150807
  O     -1.69705622      3.31007302     -3.74701889
  H     -6.16526537      2.76549755     -2.53461396
  H     -3.89341068      0.80952151      3.19655990
  O     -5.68891917      2.59133617      0.51113543
  H     -1.56575073      3.73506539     -4.59027842
  H     -3.94005775     -0.42894153      2.28703814
  O     -2.94136905     -1.09777140      0.93888215
  H     -2.32526136      3.86650563     -3.24779660
  H     -0.70706486      2.35613790      1.51387237
  O     -0.05981668     -0.32724131     -1.60549992
  H     -4.90583759      2.14642835      0.15028419
  H      0.71865780      1.90673298      1.80450702
  O     -3.38573330      1.11351628     -3.15102256
  H     -6.24131111      1.89163809      0.87777251
  H     -1.77998012      4.05737648      0.14174460
  O     -4.04677815     -2.62443978     -1.12417308
  H     -3.22405135     -1.73814219      0.27425428
  H     -0.82447216      3.02969677     -0.58147918
  O     -2.18322575     -1.40729595     -2.91975582
  H     -1.98642018     -1.17369582      1.06684549
  H     -5.15076733      0.99112094     -3.30350133
  O      0.24593390      2.43203666     -1.88654164
  H     -0.74078260     -0.76614198     -2.13575140
  H     -6.46217823      0.71896131     -4.07532900
  O     -0.22857565     -0.78233265      1.20211080
  H     -0.33163550     -0.40656143     -0.68215742
  H     -1.67633658      2.00334118      3.21432027
  O      2.26715397     -0.87720275     -0.24653062
  H     -2.81409108      1.81850794     -3.47501315
  H     -2.37723009      2.31646252      4.54726368
  O     -6.80809573      0.22925664      1.51685327
  H     -3.40010500      1.19051233     -2.18267244
  H     -6.22972814     -0.24690134     -1.71671655
  O     -4.47581752      0.10591360      2.89143014
  H     -4.82691144     -2.03932279     -1.11705630
  H     -6.41640431     -0.52206642     -0.19782610
  O     -0.18172429      1.84806316      2.15420253
  H     -4.37437413     -3.51897525     -1.16007816
  H     -3.24263183      0.50482651      0.07172318
  O     -1.43684353      3.15640305      0.15697197
  H     -2.80487988     -1.90442919     -2.37482197
  H     -2.71437401      1.96404185     -0.17677877
  O     -6.11802356      0.94175588     -3.21360257
  H     -2.62978141     -0.57778903     -3.13985226
  H     -2.59701924      6.48719598      0.58175615
  O     -2.54455674      2.14488604      3.62228310
  H     -0.30431633      2.76245810     -2.60888552
  H     -3.28243009      5.16116402      0.99314551
  O     -6.13346719     -0.91815118     -1.03052336
  H      0.14266983      1.46855481     -1.88247966
  H     -3.30516883      5.12345444     -1.48706900
  O     -3.39857080      1.32291359     -0.41607187
  H     -0.22588148      0.09751020      1.60740262
  H     -4.38579041      4.38197966     -2.31251360
  O     -2.76981175      5.59721826      0.28796671
  H      0.68618218     -0.99268456      0.98586302
  H     -3.57182754      3.50923953      2.67148135
  O     -3.48147910      4.72776290     -2.34704838
  H      1.57988605     -0.75928053     -0.92436568
  H     -4.74009898      3.65208555      1.66799185
  O     -4.07469103      4.15334994      2.16135350
  H      2.90195453     -1.49171726     -0.60545282
  H      1.60445406      2.24518331     -0.35234371
  O      2.01564040      1.91340313      0.45451285
  H     -7.54752412      0.00690697      2.07582704
  H      2.29409167      1.01251434      0.24963722
          69
 Energy    -248.39529800944905     
  O     17.04825471      9.73519846    -10.87408454
  H     17.29747052     10.44165339    -10.26865860
  H     12.93386875      9.03241501    -10.96506049
  O     13.48259018      5.44856743     -8.32259012
  H     16.49322941      9.12308289    -10.36060510
  H     13.03209762      9.60201132     -8.31647222
  O     17.89563976     11.38804024     -8.72263456
  H     12.77955799      5.64015214     -8.95540907
  H     13.32901994      8.95978878     -6.95303682
  O     11.51689110      6.29570387    -10.19198878
  H     14.26977516      5.24760465     -8.84516842
  H     18.99829981      4.89556546    -11.45415625
  O     15.89356182      8.59340483    -13.12807868
  H     17.94983447     12.33945021     -8.70283647
  H     19.74104958      5.48550593    -12.67000309
  O     19.40936801      8.31874497    -10.86610420
  H     17.17534401     11.13530073     -8.11389706
  H     15.54138791      5.37535074    -10.97485556
  O     19.91316454      9.46798733     -8.34069800
  H     11.83545735      6.23549553    -11.11035824
  H     16.69848994      5.34952253     -9.93541622
  O     18.48197823      5.79717544     -9.86458700
  H     10.59514201      6.05226567    -10.20330301
  H     21.26478155      7.51049392    -13.36175885
  O     12.52850424      6.39557496    -12.69657849
  H     16.58929550      8.28939041    -13.73019261
  H     20.10981604      7.67225234    -12.34481407
  O     15.97121949     10.56483531     -7.07051224
  H     16.32018520      9.07954020    -12.40965443
  H     18.77383446      7.43016049    -14.20236080
  O     13.22914490      9.17589062    -12.83888179
  H     19.76743242      8.63516386    -10.02798462
  H     17.65594781      6.47990864    -14.64944237
  O     12.84838702      8.78929077    -10.03498584
  H     18.58276725      8.80550493    -10.99532809
  H     14.56216911      8.27860713     -9.61047708
  O     13.30960569      9.80735649     -7.41521915
  H     20.63142116      9.85659647     -7.84628877
  H     15.54567496      7.07010880     -9.70135516
  O     19.21502777      4.72911552    -12.38068061
  H     19.23076699     10.15275978     -8.42153178
  H     13.54685596      6.52077902     -6.94953609
  O     15.73645356      5.31108387    -10.02920506
  H     18.72482084      6.62043245    -10.30619465
  H     13.14742261      6.77472594     -5.47829435
  O     20.37483634      7.22766009    -13.16840371
  H     18.63794196      5.97602997     -8.92547327
  H     15.50323462      6.78078799    -12.79482185
  O     17.88883042      7.41459799    -14.58656392
  H     13.42506867      6.03799669    -12.75827982
  H     15.86928153      5.35095269    -13.27785963
  O     15.48650881      8.01601956     -9.51298494
  H     12.62187369      7.33949675    -12.87440787
  H     17.96778893      7.13031578     -7.05235976
  O     13.60427865      7.16311229     -6.21940033
  H     16.22700411      9.67800039     -6.78588924
  H     19.26530817      7.74333373     -7.59418843
  O     15.26767666      5.84711156    -12.70826074
  H     15.01673263     10.49922930     -7.21464295
  H     16.04653073      7.92007365     -7.77206445
  O     18.85163859      6.90159892     -7.37562299
  H     14.17240064      9.01328614    -13.00976677
  H     15.44864520      7.51172952     -6.42083618
  O     16.27267959      7.79012768     -6.83792908
  H     12.96132556      9.87441788    -13.43075270
  H     17.95133301      4.57517969    -13.56453099
  O     17.25218349      4.63102433    -14.24119084
  H     12.31589819      7.98333676    -10.00752388
  H     17.32123704      3.84605580    -14.77709487
          69
 Energy    -248.39528944166943     
  O     16.62712309      9.82102954    -15.09853037
  H     17.41164683      9.25809899    -15.02415126
  H     13.82758456     11.85142094    -12.55429494
  O     14.55770980      7.98518400     -8.99645844
  H     15.89184169      9.25903227    -15.38032234
  H     18.12388705      4.77621954    -15.04731147
  O     17.00572009     12.47506669    -14.63636221
  H     15.14032689      8.73393775     -8.78071431
  H     18.46456778      3.44875494    -14.32651201
  O     12.46220148      8.93739263    -10.73406254
  H     14.38500402      7.52924108     -8.17665271
  H     15.30521879      7.24552469    -10.55188955
  O     14.60966976      8.04403918    -15.65797260
  H     17.21180408     12.93456236    -15.44715619
  H     15.72772390      8.02613567    -11.81254909
  O     18.75644524      8.15236990    -14.66283317
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  H     18.52936125      6.77562745    -15.90942820
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  H     17.46047390      6.06938994    -16.78498280
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  H     13.14080974      8.65692070    -10.11056029
  H     15.41991467      5.38145728    -16.61735539
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  H     14.42791004      7.48100027    -14.89121748
  H     15.30154739      5.62259866    -18.14268989
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  H     14.90101476      7.45089027    -16.36116893
  H     15.02539002     10.12410641    -12.34826414
  O     12.48675030      9.58779393    -14.53203145
  H     18.50482457      7.59176439    -13.91388184
  H     16.15465815      9.71251376    -13.33965508
  O     13.46136511     10.97759832    -12.36454138
  H     19.51314761      8.67940411    -14.37645063
  H     18.39978887     12.11008787    -13.35478699
  O     17.91738361      4.22759286    -14.26834852
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  H     18.67651503     11.46755010    -11.97079063
  O     15.65233726      7.13091977    -11.44352073
  H     21.62119674     10.06949146    -13.67180086
  H     18.52753152      9.65611453    -10.73217179
  O     18.30785920      5.93972088    -16.34201447
  H     18.04897072      5.61093107    -13.01683444
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  O     15.60971786      6.01797424    -17.33171937
  H     17.25244621      6.59039211    -12.10354792
  H     13.09662979      6.61558671    -13.28895045
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  H     11.82393446      7.96782952    -12.01781060
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  H     10.64035332      7.20101154    -12.65707691
  H     20.19560632      8.76026764    -11.93062116
  O     17.86899822     10.36450398    -10.66060449
  H     15.16906503     14.04173246    -12.46464942
  H     19.23993991      7.60616326    -11.56834431
  O     13.99309942      6.33785795    -13.51650888
  H     15.61224352     13.04089440    -13.54043490
  H     16.23757171     10.87341181     -7.94294326
  O     19.69719999      8.37393272    -11.20065092
  H     13.15135201      9.15392667    -15.08103231
  H     16.86480669     10.22412734     -9.18659500
  O     16.21743881     10.08351627     -8.47690566
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  H     14.70873598      4.98463035    -14.54210339
  O     15.19813267      4.43445161    -15.17009117
  H     13.08605009     10.61883911    -13.18430900
  H     16.05474319      4.25303877    -14.76511345
          69
 Energy    -248.39522665567125     
  O     -4.35221456     -3.36011845     -8.12464311
  H     -5.11668936     -3.88407090     -8.39021396
  H     -4.40591827     -4.93220210     -2.90869242
  O     -4.88412341     -0.42386401     -2.84997129
  H     -3.71460819     -3.97278360     -7.73608477
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  O     -4.97705612     -1.24385540     -6.55327306
  H     -5.59920908      0.09378368     -3.24787358
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  H     -8.99054190     -1.29725994     -6.97938434
          69
 Energy    -248.39497036987865     
  O     -1.43160279      3.65544630      2.77013343
  H     -1.63584103      4.42877096      3.31039250
  H      1.12254283     -0.28380137      0.58622135
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  H     -0.80261331      3.95230027      2.09193632
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  H     -2.00934546      5.87125335     -1.02674810
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  H      1.82232474      7.22984678      1.18563738
  H      3.08711502      3.27128982      4.66917170
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  H      1.90307232      2.98079364      3.72274325
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  H     -2.08307038      6.96691680      0.85540209
  H      0.62406458      1.31655213      2.48363026
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  H     -1.73821241      7.00499863      2.36329724
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  O     -3.07139869      3.25989130     -3.98196645
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  H     -0.77306337      6.07206041      4.31082099
  H      1.15028654      6.46704075      3.57773202
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  O     -5.22071789      2.72553557     -1.04266471
  H      1.29821916      1.24364069      0.41083132
  H     -4.86534764      1.98552180     -1.54994524
          69
 Energy    -248.39469471955891     
  O     18.20417769     10.52200894    -17.77868463
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  H     17.72246062      9.40150781    -14.87717026
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  H     21.06757832      7.36377316    -13.96365137
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  H     14.78163462     10.79180001    -15.30509388
  H     16.37037216     12.47978009    -14.98222067
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  H     14.91858373     12.85857957    -14.58618168
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  H     17.78840815      7.50035333    -12.05087744
  H     18.81411178      7.81428978    -20.03464258
          69
 Energy    -248.39454866127264     
  O      1.74765566     -1.95241235     -3.08534813
  H      1.84745007     -2.78431894     -3.53962494
  H      2.26522334      5.28828890      0.14510679
  O     -1.34238427      3.58650603      2.10270944
  H      1.75510454     -2.14851989     -2.13015181
  H     -0.12427196     -0.37597875      2.88882129
  O      3.07878802      2.73966635     -3.53019118
  H     -1.76908457      3.10297242      2.82175773
  H      0.47152306      0.96968969      3.39378620
  O     -3.71188860      0.83838640      1.55413608
  H     -1.62544822      3.15064352      1.28668796
  H     -2.92026510     -1.31730157     -0.29251570
  O      1.22883914      2.59836791      2.81728488
  H      3.27940883      1.82750073     -3.25326776
  H     -3.53551037     -2.50511823      0.48204184
  O     -0.32141187     -0.07513340     -2.93710540
  H      3.70729886      2.96687885     -4.20998304
  H      1.19725887      2.61571664     -3.79012729
  O      0.11803979      0.78615646     -0.34180345
  H     -3.51615733     -0.09208200      1.38870805
  H     -0.11529770      3.13404115     -3.16328359
  O      2.54449745      1.83852230      0.53884223
  H     -3.37110984      1.04873767      2.43258742
  H      3.83063209      0.00554008     -1.80846167
  O     -2.41243392      1.71990276      3.92961959
  H      1.77951351      3.33057261      3.13351386
  H      2.98551851     -0.52752962     -2.97421989
  O      2.72330669      4.81496881      3.33860628
  H      0.38464477      2.98129644      2.54624476
  H     -1.99553211     -0.34102433     -2.26283610
  O     -0.62345097      4.13551090     -1.53278235
  H      0.36940138     -0.71423174     -3.14615088
  H     -2.90533891      0.60944063     -1.48035213
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  H     -0.99941815      5.17733813      1.30816887
  O     -0.16429912      0.27217733      3.60327890
  H      0.09440497      0.47053188     -1.25585831
  H     -1.40728868      6.61564731      0.92068000
  O     -2.95421854     -1.75509961      0.57707041
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  H      2.61558592     -1.71997714     -0.14130143
  O      0.24300205      2.47144329     -3.76520120
  H      2.52084114      2.61590940     -0.03552910
  H      1.17220760     -2.12938928      0.24029512
  O      3.55381839      0.20635848     -2.71053725
  H      2.14901999      2.08722611      1.38652259
  H      3.51097708      0.41820110      0.29002855
  O     -2.80839608     -0.31170991     -1.73698388
  H     -2.68595695      1.72527295      4.84248510
  H      4.75380071     -0.45052357      0.59790759
  O     -0.79323220      5.91574772      0.71141039
  H     -1.62657958      1.14523967      3.87319955
  H      1.21535299      3.96984773     -1.32077872
  O      1.87628191     -2.28438485     -0.40137856
  H      3.38830145      5.33809144      3.77661761
  H      2.57036790      3.64103291     -2.00623711
  O      3.97891313     -0.39937907      0.04451688
  H      2.55330221      5.25066493      2.48567328
  H     -0.10924970     -0.60530022      0.73413425
  O      2.17295538      3.95213168     -1.18298620
  H     -0.70894881      4.89243760     -0.94035738
  H     -1.14990595     -1.66475765      1.13937788
  O     -0.23787009     -1.38848204      1.29253703
  H     -1.25009452      3.47901325     -1.19723699
  H     -1.38581628      1.66211678     -0.22580420
  O     -2.18376774      2.21775054     -0.21120883
  H      1.11757108      6.02334679      0.85269059
  H     -2.82734229      1.78580271      0.37297672
          69
 Energy    -248.39454259292276     
  O     16.94024592     11.03394136    -10.61182833
  H     17.18353844     11.07722899    -11.54669146
  H     15.63755212     10.76181974    -16.07586763
  O     14.02562252      8.34619419    -14.93484206
  H     17.35647499     10.23591502    -10.26656900
  H     19.58939219      8.42748892    -12.85705950
  O     14.48467177      5.29154324    -11.59367735
  H     13.99167940      7.38141455    -14.88269634
  H     18.92301530      7.09283385    -12.50581026
  O     17.70346494      5.99449275    -13.30832748
  H     13.37570633      8.68035853    -14.30229734
  H     16.71218917      7.58250686    -13.28165805
  O     15.46790100     12.24345222    -14.84444889
  H     14.84790987      6.08904028    -11.18251894
  H     15.46094419      8.36145069    -13.82282670
  O     11.18032100      7.46118543     -9.47844524
  H     13.57777920      5.19062063    -11.28058276
  H     15.27825713     11.45846218    -10.41386442
  O     12.23730670      9.06106593    -12.91853538
  H     17.46415492      5.76041963    -14.21326090
  H     14.26336475     12.45176164     -9.80015024
  O     15.54772320      7.66983518    -10.61241764
  H     17.48686357      5.23070859    -12.75492023
  H     13.76648216     11.69260449    -12.17092953
  O     17.70907176      8.06040722    -16.22344689
  H     14.72114617     12.02477120    -14.25812635
  H     12.94656459     10.81102514    -13.13573437
  O     11.54178906      6.41656900    -13.38749960
  H     15.31148131     13.12635973    -15.16790267
  H     16.95291457      3.22526433    -11.10151080
  O     16.62067651      5.62850046    -15.85895764
  H     11.89029859      8.09519480     -9.67112119
  H     15.94593353      4.25196359    -11.65288197
  O     15.68585487      9.90961610    -16.52196191
  H     10.38087049      7.97713670     -9.40537241
  H     14.95655044      5.49900341    -14.91941678
  O     19.39537920      7.84230087    -12.11585599
  H     12.55751113      9.04251487    -12.00765844
  H     14.35354404      5.48822038    -13.48508806
  O     16.15925174      8.36529649    -13.15558967
  H     11.85097382      8.18909782    -13.08987243
  H     11.54673558      5.94968756    -10.28775021
  O     14.33075263     11.67797223    -10.35293529
  H     15.68831259      7.98752878    -11.51994781
  H     11.26711425      4.43919431    -10.46850470
  O     13.50628757     11.59612889    -13.09516816
  H     16.37519838      7.85113926    -10.15276552
  H     20.19908749     10.08701879    -14.78997635
  O     16.83317029      3.87943312    -11.78453027
  H     17.05150517      8.74946896    -16.40594421
  H     18.82111494     10.08589495    -14.09016204
  O     14.13989337      5.62114007    -14.41880117
  H     18.38378204      8.46712959    -15.67142501
  H     13.52221895     10.02859985    -10.18978693
  O     11.78662183      5.16343656    -10.80784099
  H     11.51211689      5.93129123    -12.55446621
  H     14.04085405      8.57408868    -10.29189038
  O     19.52481963      9.51142430    -14.43746932
  H     12.27966542      6.03838813    -13.88113339
  H     18.70917105      8.40005755     -9.09424281
  O     13.23480976      9.10936085    -10.25223896
  H     16.99267205      6.50842604    -16.05815453
  H     18.60258755      8.30023984    -10.63191215
  O     18.11015340      8.53271712     -9.82390606
  H     16.84620292      5.06533616    -16.59447639
  H     16.79126164     11.39036774    -13.89565989
  O     17.37175726     10.82393859    -13.37205217
  H     15.00399081      9.36598656    -16.10057860
  H     16.92928342      9.96283940    -13.29048411
          69
 Energy    -248.39441328841184     
  O     10.12630478     10.34881395    -11.00070667
  H     10.81195402     10.63733762    -10.37158128
  H     12.81201741     10.54708596     -9.10861195
  O     14.68413898     10.78817052    -12.51065334
  H      9.32937579     10.20997234    -10.49635658
  H     11.61855095     11.44342295    -17.66231281
  O     17.00663102     13.23295218    -13.70622669
  H     14.42809490      9.97365406    -12.05924672
  H     10.41587706     10.56003513    -18.07284210
  O     15.91363437      7.79937922    -13.41107114
  H     15.56898976     11.02433365    -12.20390469
  H     13.98189749     13.69725163    -14.02340194
  O     10.78863842     11.77472783    -13.31268142
  H     17.20915268     12.49802890    -14.30096400
  H     13.77479981     14.40383905    -15.38104302
  O     12.30947760     14.84933631    -16.45427566
  H     16.21572728     13.65401022    -14.06073854
  H     13.35338578     13.49108970    -10.85966020
  O     15.26026673     12.07485197    -16.67792709
  H     15.49620541      8.25719787    -14.14895969
  H     13.35232929     14.49578761     -9.68412054
  O     14.34956923      9.47378698     -8.90535534
  H     16.76049901      8.24129474    -13.26737778
  H     17.93800879     10.33930110    -14.57736083
  O     13.13831701     13.01155754    -12.56160529
  H     10.44111350     11.35419639    -12.51648410
  H     16.55918191     10.37620186    -15.21968618
  O     14.65003778      9.86483205    -15.08986078
  H     11.16407334     11.06733009    -13.85794772
  H     15.35278959     11.08586404     -9.13817896
  O     18.29812689      9.36853704    -12.96393202
  H     11.96348182     15.69961192    -16.71199097
  H     15.05372865     12.55656437     -9.48599477
  O     12.09238621     11.14901984     -9.33449862
  H     11.55537516     14.32505362    -16.12882768
  H     12.77698651      9.68164811    -15.04864814
  O     10.88455881     10.90399027    -17.31702515
  H     16.19377732     11.88445354    -16.54723925
  H     11.45655101     10.02563783    -15.78445341
  O     14.43999536     13.97043627    -14.83076057
  H     15.01580320     12.75453886    -16.02888194
  H     12.70824065     13.41340577    -17.68783462
  O     13.48129372     13.57572437     -9.89998019
  H     14.50348840      8.83101019     -8.21763551
  H     13.78047274     12.31885365    -17.78170441
  O     17.41373823     10.82460300    -15.22701997
  H     14.30597745      8.98186129     -9.74357323
  H     11.05548818      8.95970392    -11.92966307
  O     15.77272722     11.92394473     -9.36969904
  H     13.69689419     12.21895173    -12.50874433
  H     11.60621901      8.69157786    -13.34496461
  O     11.81968932      9.73573516    -14.93723759
  H     12.25627873     12.70087278    -12.80626037
  H     16.84852310     11.71824385    -10.76516210
  O     12.89401885     12.55405556    -18.08628338
  H     14.69478900     10.59442461    -15.72358988
  H     17.22391652     12.25207411    -12.20895463
  O     11.63417419      8.37451680    -12.43378408
  H     14.65847968     10.25132433    -14.19762873
  H     10.32992643     12.44058932    -16.26381678
  O     17.24461222     11.48392128    -11.61737980
  H     17.98477794     10.09379458    -12.39487196
  H     10.34085937     12.82133820    -14.77609392
  O     10.30554209     13.19750019    -15.66585237
  H     19.13708986      9.08419802    -12.61067351
  H     13.24012719      8.21852109    -11.71255645
  O     14.13697886      8.31447309    -11.35534440
  H     12.49594125     12.01878071     -9.43993694
  H     14.76597040      7.96957762    -12.00489850
          69
 Energy    -248.39394286611065     
  O     -5.37457026      4.29934005      1.72457692
  H     -4.74653051      4.73600175      2.32961525
  H      1.63255902      2.63748521      4.46896623
  O     -4.77087075     -1.85476547      1.26250112
  H     -6.24006198      4.38087917      2.11444454
  H     -3.47144355      4.50880429     -1.86342847
  O     -0.32913098      4.13944979     -2.10110967
  H     -4.06721877     -1.73135536      0.60331196
  H     -3.59198986      4.30210528     -3.39022903
  O     -2.82903704      1.42626509     -1.45965722
  H     -5.04829812     -2.76349942      1.18326659
  H     -1.81381826      2.88202555      4.55020700
  O      0.15069037     -0.33219567      4.48918130
  H     -1.26286648      4.17323315     -2.34661120
  H     -1.35146168      3.47868663      3.19511435
  O      1.94281575      4.78331492      1.93093734
  H     -0.08817216      3.20820297     -2.15710332
  H     -1.42410982      6.49811243      0.81038363
  O     -1.17789785      3.12975188      1.45820212
  H     -3.00840668      2.21723792     -1.98447934
  H     -2.00235468      7.91278676      1.04956306
  O     -2.22924671      1.20924472      5.00649632
  H     -3.19274030      1.62287692     -0.58277782
  H     -4.38320399      2.82984938      1.26759629
  O     -2.59918692     -1.26558694     -0.35652973
  H      0.52332195     -0.95099027      5.11181445
  H     -3.74248600      1.45683580      1.67342666
  O     -3.48022566      0.06082109      2.76201133
  H      0.78607472      0.40179910      4.41097606
  H     -2.99017488      6.07432728      2.58167104
  O     -0.88636324     -0.58996930      1.88116937
  H      2.42092392      3.95865913      1.78513225
  H     -2.81806622      4.94322816      3.63164016
  O      1.88127184      1.73782004      4.22529088
  H      1.67638646      4.76645380      2.85877733
  H     -1.11065406      1.27605649     -1.85345511
  O     -3.14110013      3.98185294     -2.61342551
  H     -0.94341076      3.95351527      1.01159283
  H     -0.04939600      0.59852908     -2.74921579
  O     -1.51572378      3.69929807      4.12462351
  H     -2.08665855      2.88780193      1.23457948
  H      0.10175986      4.23499515      4.52918677
  O     -2.21759664      6.98502392      1.09575018
  H     -1.43000254      0.67076326      4.95768818
  H      1.12457767      4.99842105      5.40279175
  O     -3.72699908      2.16873841      1.01782475
  H     -2.83213311      0.82722141      4.35427161
  H     -3.42359835      6.04543604     -0.02869012
  O     -3.47123257      5.50827130      3.19837862
  H     -1.94430169     -1.11951482      0.33892202
  H     -4.59343406      5.06704249      0.16501403
  O     -0.16191468      1.25741840     -2.06869116
  H     -2.70356503     -0.42748962     -0.82145003
  H      0.48794173      1.26091601     -0.37152046
  O      1.04744679      4.43821958      4.63502654
  H     -2.58065043     -0.15273141      2.47282911
  H      0.04292957      1.98667042      0.93280470
  O     -4.00432567      5.43792046     -0.50277732
  H     -4.05264775     -0.62448461      2.38901554
  H      2.22744856      1.79197634      1.22111846
  O      0.66448316      1.33170188      0.57484312
  H     -0.52471106     -0.64690861      2.77567790
  H      3.77577911      1.78673910      1.18732141
  O      3.02512299      2.13752352      1.65885597
  H     -0.30323771      0.01876372      1.40840073
  H     -0.09037521      5.05475013     -0.58122795
  O     -0.15409058      5.44635394      0.30211601
  H      2.38086824      1.82002228      3.40380007
  H      0.65972270      5.27404400      0.79954893
          69
 Energy    -248.39376957687932     
  O     11.26271626     10.68149595    -11.65513563
  H     11.90358525     11.17753079    -12.17788708
  H     15.46960349     13.45016898    -15.45359203
  O     13.58170930      7.65982220    -15.28911994
  H     10.70719782     10.21418397    -12.29325875
  H     15.55398924      9.44078887    -13.39393442
  O     17.40565174     10.99606751    -10.59695496
  H     13.82583797      7.16958282    -16.08374666
  H     16.36575720      9.50655543    -14.70308875
  O     18.05225509      8.82568081    -17.19073785
  H     14.35825416      8.17653269    -15.01861226
  H     11.34604530      8.83302725     -9.06956007
  O     11.98514882      9.88023457    -15.24542611
  H     17.33866964     11.80862697    -10.10300514
  H     11.63279871      9.46555879    -10.45392661
  O     13.94156583      6.32153333    -12.88406349
  H     16.55829072     10.87742007    -11.06308828
  H     18.22871269      7.57057765    -11.18542180
  O     15.10387824     10.37070714    -11.87129506
  H     17.97824222      9.55042138    -16.54733271
  H     19.56223635      6.88287223    -11.56160343
  O     15.34212784      9.07636644    -18.13601447
  H     18.84454799      8.99062841    -17.69621937
  H     12.08265516      6.60181402    -12.37143925
  O     17.61928850     10.72402829    -15.28047161
  H     12.49932332      9.06038307    -15.30808111
  H     11.37784949      7.44921375    -11.29458646
  O     14.60048471      6.36769844    -17.54011115
  H     11.17372602      9.64153564    -14.78264148
  H     18.43522244     10.46962769    -12.09981257
  O     17.03816808      6.26040276    -16.38321643
  H     14.86865670      6.08068001    -13.00806670
  H     18.87534747      9.12130041    -12.68733332
  O     15.41728826     12.54357940    -15.16102951
  H     13.68510643      6.74071268    -13.71954158
  H     17.46807077      6.58772916    -13.02169474
  O     15.73271113      8.96762205    -14.21610669
  H     14.76055883      9.57870407    -11.43327932
  H     16.36853308      7.33315293    -13.79736065
  O     11.81297504      8.69283244     -9.88862518
  H     14.38442954     10.81318210    -12.34040014
  H     17.27051468      9.16125671    -10.01117504
  O     18.79892531      7.31686842    -11.93361788
  H     16.28054533      9.02030993    -17.92122765
  H     16.19776053      8.05184094    -10.10726125
  O     11.23976029      7.01123732    -12.14405086
  H     15.00875058      8.17398404    -18.07052420
  H     14.40956152     10.42654058    -17.39612586
  O     18.78489122     10.05770634    -12.89971691
  H     18.08477402     10.58842340    -14.43853324
  H     13.16595861     10.74580207    -16.52091828
  O     16.69399252      6.44550229    -13.57964469
  H     16.97805522     11.43810363    -15.18226195
  H     14.23215276      7.38766024    -11.41335224
  O     17.14291934      8.20483484     -9.97769563
  H     15.48613252      6.23573415    -17.15425483
  H     13.53513003      8.18664713    -10.27239994
  O     13.96071368     11.13150309    -16.90596517
  H     14.41818679      5.60763100    -18.08486180
  H     13.96456466     12.06186146    -13.96848248
  O     14.39053413      7.99733961    -10.67916168
  H     17.00834618      6.19968369    -15.41954989
  H     12.82628355     11.02430089    -14.10246932
  O     13.26472158     11.61834237    -13.47439668
  H     17.48169984      7.09004077    -16.60026558
  H     10.37968705      8.21441949    -13.10849568
  O      9.94250101      8.97788919    -13.52599415
  H     14.91654118     12.05924936    -15.84635669
  H      9.02958117      8.73509770    -13.65503484
          69
 Ord_Energy   -248.393723    
 O   0.361189365      -3.00460267      0.598478198    
 H   0.402140796      -2.50312090       1.43235803    
 H   0.462941378      -3.92492342      0.828849435    
 O  -0.103804313       4.31626368      -1.76033303E-02
 H   0.435284317       4.01364660      0.724863291    
 H  -0.978069484       3.92085671       8.85715410E-02
 O    1.35309601       3.91257334      -2.26139188    
 H   0.820709705       4.09628296      -1.46767712    
 H    1.43078506       4.73714685      -2.73386526    
 O   -5.21305704     -0.912051201       3.06495571    
 H   -5.89866352      -1.23866510       3.64053798    
 H   -5.28206396       5.99786788E-02   3.06417823    
 O   -4.85663271     -0.749941528      0.207891673    
 H   -4.01186514      -1.18182075       3.04521900E-02
 H   -5.06854534     -0.946732104       1.12879050    
 O   -5.16611862       1.95611084      -2.61210203E-02
 H   -5.84454775       2.15483260     -0.665975809    
 H   -5.05455780      0.988753200      -2.82955803E-02
 O   0.284421593      -1.35638595       2.77382851    
 H   0.806825042     -0.828011274       3.39563847    
 H  -0.653302491      -1.23791981       2.98012829    
 O   0.644299865      0.690851331      0.841968060    
 H   -8.43326971E-02  0.706466496      0.206156030    
 H   0.454244286       2.81841494E-02   1.51800323    
 O   -2.52785492       2.86279058      0.349927902    
 H   -3.45560312       2.70280385      0.135357067    
 H   -2.41294169       2.57764459       1.26867962    
 O    2.19508576      -1.14328766     -0.554392278    
 H    1.67439628      -1.90810263     -0.286521822    
 H    1.76596940     -0.382756978     -0.131970435    
 O   -5.15325499       1.79502594       2.84155226    
 H   -5.28879690       1.98414803       1.90457022    
 H   -4.22029829       1.98560476       3.01156569    
 O    3.54151773       2.15461755      -1.69174290    
 H    3.30803227       1.43358731      -2.28923535    
 H    2.85664415       2.82208991      -1.81731009    
 O   -2.33824682       1.90496242       2.94877028    
 H   -2.29716539      0.939787090       2.89776707    
 H   -1.59756768       2.20181799       3.48989439    
 O   -2.86261793E-02   2.78402233       4.27238655    
 H   0.477653712       2.97020507       3.46241331    
 H    4.84455489E-02   3.55402780       4.83049059    
 O   -1.39353061      0.726446688      -1.01177156    
 H  -0.902754784      0.975809813      -1.80940247    
 H   -1.82287276       1.51257181     -0.650044918    
 O   0.192487806       1.46011543      -3.08521700    
 H   0.559013426       2.33210301      -2.88762426    
 H   0.950849056      0.877586424      -3.21409845    
 O    4.17858744      0.651539326      0.531658292    
 H    4.03904963       1.27376819     -0.199745968    
 H    3.73547506     -0.158324450      0.261101991    
 O   -2.42698026     -0.882002175       2.73899436    
 H   -3.34863281      -1.00817585       2.99495101    
 H   -2.36447430      -1.13563097       1.80548370    
 O   -2.15136552      -1.64374673       7.02661797E-02
 H   -1.89818954     -0.838578045     -0.410887063    
 H   -1.37419677      -2.21144867       9.43154097E-02
 O    3.79156065       1.81886506       2.92441368    
 H    4.64098835       2.06981206       3.27638340    
 H    3.96526933       1.36818779       2.07740664    
 O    1.66504276      0.440836042       4.28764868    
 H    1.06742501       1.17800605       4.45982647    
 H    2.44449663      0.830591559       3.87107706    
 O    2.54451299     -0.152635247      -3.09450150    
 H    2.43959832     -0.592777967      -2.23397374    
 H    2.98683858     -0.771874249      -3.66904855    
 O    1.43921375       3.03589392       1.97498155    
 H    2.33376575       2.84427500       2.28117108    
 H    1.15296900       2.22992659       1.51279891    
          69
 Energy    -248.39372044611824     
  O      0.81330888      1.63164194     -0.13420120
  H      1.60964718      1.85627429     -0.60854994
  H     -2.00641277      2.88049640     -1.52871352
  O     -1.45295401     -0.17167504      2.83349951
  H      0.06563471      1.89395726     -0.70278666
  H     -4.07094565      2.63122012      3.02675690
  O     -4.74319041      0.59639296     -0.32524183
  H     -0.93782118      0.32384370      3.48017264
  H     -3.67167487      4.09223282      2.90587852
  O     -2.94377579     -3.13238058     -2.08930474
  H     -2.06403233      0.46839998      2.42869348
  H     -3.34552123      4.98531300     -1.77835935
  O     -0.41542227     -0.84911944      0.38391448
  H     -5.08929912     -0.10141617      0.24790603
  H     -4.08400852      3.95293838     -0.89497736
  O     -4.85316252     -0.11856186      5.29306976
  H     -3.99866422      0.22287940     -0.81648773
  H     -5.92085910      3.48955872      2.73000319
  O     -6.48584978      0.60071471      3.26313290
  H     -2.26366684     -3.34607492     -1.42393664
  H     -7.40703221      3.88819923      2.58040105
  O     -2.92629327      2.00879947      5.38933200
  H     -2.78446360     -3.69875483     -2.83945387
  H     -1.49269852      4.10054579      1.71819070
  O     -2.46799039     -0.42160527     -1.50537705
  H     -0.74305329     -0.69289561      1.28156830
  H     -2.55856263      4.48737013      0.62481458
  O     -5.50630686     -1.34288483      1.48275872
  H      0.14492426     -0.09164304      0.17534227
  H     -5.39664650      2.26886186     -0.48353148
  O     -2.94751155     -4.14591611      2.09730323
  H     -5.47450271      0.18777630      4.60725095
  H     -6.04210491      3.31219995      0.44717112
  O     -1.34956243      2.18528107     -1.65087256
  H     -5.37926334     -0.33780425      6.05804809
  H     -3.97536449     -1.36919627      4.19823721
  O     -4.25975665      3.50522300      3.40447744
  H     -6.33844775     -0.04391583      2.55785403
  H     -2.73627404     -1.30026209      3.27692669
  O     -3.20393605      4.29332459     -1.13763577
  H     -6.68385942      1.44490558      2.84447199
  H      0.33239705      2.62520438      1.43008652
  O     -6.74235587      3.28783312      2.25092380
  H     -3.39384138      2.69227815      4.89270054
  H     -0.04603086      2.70576991      2.93415547
  O     -2.41173632      4.37487241      1.57107993
  H     -3.52949161      1.25657016      5.42789551
  H     -1.24996031      1.84778227      4.90945366
  O     -5.56869892      3.21771436     -0.38620332
  H     -1.78865425     -0.56887551     -0.83158957
  H      0.24033129      1.77230737      5.31531426
  O     -3.52458725     -1.82727543      3.47898564
  H     -2.68098590     -1.29115468     -1.86558779
  H     -4.34260649     -3.42450222     -0.77815708
  O     -0.00834425      3.21311521      2.11504506
  H     -5.46335877     -2.12700870      0.91589912
  H     -4.25663807     -3.90825680      0.67873002
  O     -0.34872651      1.70250761      4.56898741
  H     -4.81874619     -1.46510576      2.15036575
  H     -1.67547923     -3.75792070      0.71991325
  O     -4.87109214     -3.56849476      0.01587995
  H     -3.15628068     -3.37987747      2.65631651
  H     -0.76899675     -2.66005237      0.10742856
  O     -1.17595573     -3.51912653     -0.07067092
  H     -2.92088717     -4.90494321      2.67513779
  H     -3.71902621      1.32147772      0.99819912
  O     -3.15409038      1.60174470      1.72854345
  H     -1.82708064      1.35494618     -1.77396521
  H     -2.83034941      2.49108043      1.53569693
          69
 Energy    -248.39367567197002     
  O     12.85855035      9.28515392    -16.19240148
  H     12.47404907      9.56965487    -17.01726916
  H     10.53604478      3.37061192     -8.76909217
  O     11.39681600      9.23645309    -10.52686581
  H     12.15157389      8.83661006    -15.69201091
  H     12.41231142      6.56513994     -9.82400857
  O     15.93146125      6.30446066    -11.15165543
  H     11.28368394      8.29145507    -10.35908000
  H     11.21196618      5.58635079     -9.86425522
  O     14.91025612      2.23943305     -9.87932068
  H     12.26969491      9.46711897    -10.18924957
  H     17.03081349      4.25818983    -13.47902093
  O     14.10141511      9.71992215     -9.68919656
  H     15.35559129      6.72390753    -11.80918249
  H     16.64206942      4.79661758    -14.85781975
  O     12.99959707     11.06105529    -13.91200528
  H     15.99151305      5.37201804    -11.40113155
  H     14.38376473      8.51859363    -12.64860852
  O     10.49192271     10.29789259    -12.82923700
  H     15.11078567      1.35682422     -9.57901983
  H     14.58144238      7.58281422    -13.86188101
  O     15.87743751      3.69751273    -12.07383364
  H     14.08893629      2.18095077    -10.40190464
  H     10.67400816      8.87380436    -14.04931103
  O     12.64334329      2.35752742    -11.36780434
  H     14.37972007     10.41205348     -9.09357410
  H     11.15851174      7.41107740    -14.10952597
  O     14.98137137     10.21384370    -12.26355424
  H     14.48616094      9.93216786    -10.55562603
  H     17.71571045      9.96694829    -14.47147950
  O     13.58379153      4.22681695     -8.27662976
  H     13.01636336     10.56791419    -14.74030980
  H     17.37276279      8.64528049    -13.73977401
  O     11.13990552      3.79778597     -9.37083214
  H     12.12285761     10.90780211    -13.53554503
  H     14.12643458      7.84707836     -9.19172844
  O     11.50456428      6.46117675    -10.14639433
  H     10.78916030      9.92096922    -11.98130253
  H     14.81964603      6.62615773     -9.81714848
  O     17.37811590      4.74634335    -14.23804461
  H      9.70297592     10.79982504    -12.64405832
  H     17.84447120      6.37574833    -13.53110567
  O     14.27236707      7.60783786    -12.94799194
  H     15.70216399      3.13683483    -11.30883853
  H     17.39395467      6.98852690    -12.20317025
  O     10.94206860      8.17487131    -14.66013831
  H     15.03996293      3.78605983    -12.55246320
  H     12.74256678      6.76915962    -12.90396532
  O     16.98656525      9.43608132    -14.16262883
  H     12.80118580      2.85138933    -12.18216969
  H     11.63934022      6.25874798    -11.96034724
  O     14.11844183      6.88345860     -9.19845899
  H     12.00783238      2.86012235    -10.84341572
  H     15.82037720      8.42271996    -15.25514925
  O     17.87782552      7.19275503    -13.01229026
  H     14.29704185     10.62849444    -12.81507472
  H     14.38542687      8.36722618    -15.87885447
  O     11.92973270      6.23806893    -12.88081703
  H     15.74677516     10.05773971    -12.82986333
  H     15.02970715      6.04141800    -15.79579894
  O     15.13961452      7.82871893    -15.59760090
  H     14.19108893      3.63467403     -8.73746583
  H     14.88141680      4.80097119    -16.70173533
  O     14.94707529      5.07392527    -15.78914551
  H     13.87575772      5.13102938     -8.44839621
  H     12.87676350      4.76159870    -13.32020944
  O     13.49260339      4.04443118    -13.53083769
  H     11.98236881      3.91201003     -8.89267846
  H     13.92413418      4.29637088    -14.35598524
          69
 Ord_Energy   -248.393478    
 O   -3.51468873      -1.98182786       3.22439075    
 H   -4.08575726      -1.89454770       3.99501204    
 H   -4.02107573      -1.58177078       2.50030375    
 O   -2.80848289       1.93939614       3.07340837    
 H   -2.77993441       2.90337157       3.10731506    
 H   -3.63190317       1.66477013       3.50342894    
 O   -7.80355692     -0.351744741       1.56280398    
 H   -8.05656624     -0.445142925      0.632018089    
 H   -7.72306442      0.589991212       1.76138103    
 O   -7.27061939      -2.56002188       3.13911438    
 H   -6.85996485      -3.11748600       2.46853471    
 H   -7.62986517      -1.80260539       2.65221381    
 O   -1.26545084     -0.393519133       2.79321814    
 H   -1.63938701      0.467856348       3.02229357    
 H   -1.94365144      -1.03801167       3.04053974    
 O   -6.14042044      0.887494743      -2.39847326    
 H   -6.20443869       1.10774195      -3.32467008    
 H   -5.57863855       9.37842205E-02  -2.34135079    
 O   -2.42082691      -2.52490020     -0.926177382    
 H   -1.87312305      -3.01844192      -1.53445840    
 H   -1.86498523      -1.81259167     -0.573519349    
 O   -5.66877556      -1.37142885       4.97881508    
 H   -5.91455555      -1.65385473       5.85573626    
 H   -6.26756048      -1.82825077       4.36074972    
 O   -5.46902275       2.59398913     -0.267731190    
 H   -5.80363894       2.12231827      -1.03992748    
 H   -4.61842632       2.17654920      -6.21916018E-02
 O   -7.21286345       4.82674122       3.03080440    
 H   -7.88611221       5.39617014       3.39205956    
 H   -6.59114695       4.62603998       3.75374889    
 O   -3.26325488       1.17050958      0.460930407    
 H   -3.08868146       1.46230686       1.36903167    
 H   -2.47663736      0.697892129      0.170736715    
 O   -5.28527451       1.32245946       4.14659357    
 H   -5.89877415       1.52097273       3.42542458    
 H   -5.45683289      0.423213214       4.44984341    
 O   -3.19694495      -4.13621855       1.37469733    
 H   -3.18642926      -3.52537274       2.12424493    
 H   -2.89182878      -3.62396908      0.615603685    
 O   -5.82307577      -3.52711225      0.827247083    
 H   -5.58451414      -2.58782125      0.870580733    
 H   -4.99776363      -3.99394917       1.01552224    
 O   -5.30761719       4.07672977       4.81841993    
 H   -5.30151892       3.11022043       4.79153681    
 H   -4.48904610       4.35667801       4.38990307    
 O   -6.92948341      -3.22822499      -1.63291490    
 H   -7.30567694      -4.02917004      -1.98772621    
 H   -6.59311819      -3.44487882     -0.745638013    
 O   -8.17714787     -0.692938864      -1.12533712    
 H   -7.58755207      -8.84063467E-02  -1.59195602    
 H   -7.86953449      -1.58132887      -1.34497929    
 O   -6.96704769       2.20690346       2.05531168    
 H   -7.21193361       3.08210230       2.37806129    
 H   -6.47633457       2.33879709       1.23129940    
 O  -0.931436002     -0.433802605      0.127508715    
 H   -6.62331209E-02 -0.101590790      -9.56973508E-02
 H  -0.978675604     -0.465424627       1.10149848    
 O   -3.09889150       4.72240257       3.09156084    
 H   -3.72907162       4.85246134       2.36027384    
 H   -2.51744771       5.47779894       3.09278131    
 O   -4.77308130      -1.46135676      -2.23875380    
 H   -4.00304794      -1.79214323      -1.76362395    
 H   -5.46699667      -2.12289977      -2.11884761    
 O   -5.01876736       4.99516058       1.18383479    
 H   -5.16710472       4.27963161      0.552278638    
 H   -5.83046150       5.06839323       1.70172322    
 O   -5.06188822     -0.884825706       1.19288564    
 H   -4.54357195     -0.163412556      0.821099818    
 H   -5.97125769     -0.583570838       1.32047272    
          69
 Ord_Energy   -248.393372    
 O   -4.14596748     -0.500753820       1.00071764    
 H   -4.88568926      -1.11972833      0.993240416    
 H   -4.31429195      0.116223142      0.275077015    
 O   -5.90470362      -5.49704266      -2.83133984    
 H   -5.65082216      -5.21730995      -1.93241692    
 H   -6.34540367      -6.33767271      -2.74655461    
 O   -2.72983694      -3.34751439     -0.885596633    
 H   -2.26691818      -2.83097863     -0.215310484    
 H   -3.18301678      -2.70671773      -1.45423591    
 O   -8.77126408      0.476744920      -3.24787855    
 H   -9.71686077      0.596182585      -3.22339153    
 H   -8.58131886     -0.111990757      -4.00153065    
 O   -6.41171265      -2.24644375      0.768709302    
 H   -7.09128284      -2.28211761       1.43749380    
 H   -6.84435558      -1.95228934      -5.20984083E-02
 O   -2.43839741      -1.22968769      -4.83140421    
 H   -2.35159111     -0.279936194      -4.98105335    
 H   -1.58582473      -1.56032860      -4.51776457    
 O   -8.08774185      -1.25347495      -5.19572830    
 H   -7.51841879      -1.01405156      -5.93779469    
 H   -7.61431980      -1.95119619      -4.72492170    
 O   -4.56150866      -2.66657853      -5.86933947    
 H   -3.76465893      -2.19277692      -5.58587980    
 H   -5.05630350      -2.05623364      -6.42972565    
 O   -4.07122803      -1.57679331      -2.58545017    
 H   -3.48256111      -1.42050588      -3.33698654    
 H   -4.84869766      -2.03610158      -2.92027688    
 O   -6.51820755       2.07357693      -3.09290743    
 H   -7.33949566       1.55831683      -3.12652278    
 H   -6.76998281       2.98636198      -2.96876311    
 O   -1.61942112      -1.46425712      0.841216922    
 H   -1.19130599      -1.41525364       1.69128478    
 H   -2.50901556      -1.08163249      0.951909363    
 O   -5.13076258       1.31065810      -5.48811865    
 H   -4.18536663       1.46307671      -5.36428070    
 H   -5.56641197       1.58898151      -4.67504501    
 O   -2.35592842       1.56353986      -5.08010864    
 H   -2.24454260       1.68954694      -4.11832380    
 H   -1.73013783       2.13970852      -5.50902796    
 O   -4.57601452      0.873450637      -1.38932419    
 H   -4.42615032       5.32244984E-03  -1.79605329    
 H   -5.27688217       1.29749942      -1.89540613    
 O   -3.63835335      -5.11248541      -4.61061525    
 H   -4.38048840      -5.33508682      -4.03636122    
 H   -3.94624996      -4.40502405      -5.18873787    
 O  -0.524390459     -0.326551884      -1.56665635    
 H  -0.348138481      -1.02949679      -2.20227814    
 H  -0.830816269     -0.746450961     -0.754224718    
 O   -1.40391076      -4.48348427      -3.06274366    
 H   -2.11982656      -4.77405500      -3.64490747    
 H   -1.82040632      -4.22681093      -2.22868299    
 O   -7.54775286      -1.56645882      -1.60697424    
 H   -8.00646687     -0.830085576      -2.02351141    
 H   -7.16925144      -2.08081245      -2.33084846    
 O   -6.31277609      -2.94630694      -3.77016640    
 H   -6.27701569      -3.86423731      -3.46717048    
 H   -5.71561098      -2.86994386      -4.53075504    
 O   -2.10859227       1.74169874      -2.43854523    
 H   -1.48376250       1.07573926      -2.11262107    
 H   -2.94310713       1.56971633      -1.98573267    
 O   -5.18470192      -4.53281069     -0.430112213    
 H   -4.26460552      -4.24070501     -0.502984345    
 H   -5.64047050      -3.83123088       4.85162586E-02
 O   -6.08405018     -0.624834180      -7.09380913    
 H   -6.13096809     -0.296170861      -7.98722744    
 H   -5.72961426       9.80005786E-02  -6.54277277    
 O  -0.107224733      -2.23640347      -3.69621992    
 H  -0.514313042      -3.09550810      -3.47739601    
 H   0.774772167      -2.42083502      -4.00640440    
          69
 Energy    -248.39322378077892     
  O     16.98520686     10.94536085    -16.85867873
  H     17.11473343     10.16797325    -16.29281346
  H     20.63588730      9.79968783    -15.98166101
  O     15.48280456      5.00623396    -14.85397985
  H     17.68629104     11.56920012    -16.63956105
  H     16.70958957      8.65030429    -14.52265741
  O     18.01975063     13.23446736    -11.11667541
  H     15.70542908      4.07994734    -14.81934337
  H     17.18483374      7.86401944    -15.77506210
  O     20.02436847      8.61518291    -14.71357844
  H     16.08603272      5.40252621    -15.50553355
  H     14.58316475     11.20948180    -14.85830455
  O     15.44764413      7.41193852    -18.63963453
  H     18.07973727     12.89303604    -12.02063187
  H     15.23550878     11.12516914    -16.24637089
  O     17.12216012     10.15326618     -9.46352241
  H     17.11521787     13.05208827    -10.83495199
  H     16.79245162      8.13462087    -11.89233442
  O     15.59126804      8.57961666    -13.06293410
  H     20.09672925      8.94164981    -13.80960315
  H     17.59804480      7.02940635    -11.16929597
  O     18.11480860     11.79533695    -13.51548381
  H     19.07755219      8.65557954    -14.92329275
  H     13.75336296      7.90435314    -15.86607674
  O     13.66793452      6.92069452    -14.21099908
  H     14.87079089      7.80156542    -17.95600077
  H     14.01258297      9.33790115    -16.37901714
  O     19.75205381      6.77039988    -16.89896450
  H     14.87344950      7.06400947    -19.31617355
  H     19.13589581     12.15863388    -10.30013676
  O     17.07667178      6.25928412    -16.68020793
  H     17.19010746      9.33671106     -9.97324493
  H     20.32293674     11.82057105     -9.36517753
  O     20.75469440     10.42648982    -16.70923363
  H     18.00924062     10.53476148     -9.46457474
  H     19.73664199     10.27553021    -11.40939802
  O     17.31573678      8.67857023    -15.27234413
  H     15.38751511      9.52638826    -13.06994954
  H     18.87320199      9.08208188    -11.87621775
  O     14.39858751     10.99220724    -15.77911007
  H     14.83563449      8.08543176    -13.40290715
  H     14.82930800     12.36087851     -9.73616691
  O     17.51298852      7.97510260    -11.25827370
  H     18.51993580     12.06753307    -14.34785585
  H     15.99202483     11.38107961    -10.02331308
  O     13.92565147      8.41550952    -16.66275988
  H     18.62508531     11.05498373    -13.16172886
  H     20.46567361      8.70536506    -19.78062488
  O     19.65284475     11.42691376     -9.91684122
  H     12.83440648      6.53758768    -13.95093671
  H     19.13975020      8.97332198    -19.02904780
  O     19.52355510      9.73115760    -12.17769052
  H     14.26990681      6.18364740    -14.41775787
  H     15.27686694     11.64254331    -12.20732098
  O     15.46631619     12.10955210    -10.39947121
  H     20.02700564      7.23922777    -16.10127673
  H     16.32331531     11.50885014    -13.33851061
  O     20.08177358      8.75425447    -18.90959304
  H     19.93160394      7.37456336    -17.63133713
  H     19.81226756     11.79189498    -16.28307568
  O     15.40231364     11.31571248    -13.10648309
  H     18.03060202      6.32892797    -16.83899317
  H     19.54695802     13.31896614    -16.31735407
  O     19.19311500     12.49147296    -16.00416090
  H     16.59801105      6.57480174    -17.45781314
  H     16.76041337      8.70184263    -19.04897646
  O     17.46126012      9.36181361    -19.10162100
  H     20.60059511      9.92324518    -17.51778457
  H     17.25846824     10.01524785    -18.41760696
          69
 Energy    -248.39319472988194     
  O     16.49732330      9.99746513    -10.74214763
  H     15.76493056      9.86537629    -11.35562625
  H     13.41324796      8.25161358     -4.67246210
  O     13.97399361      4.57231723     -7.66998368
  H     16.26467058      9.49766091     -9.94480512
  H     17.66393399      4.08646177    -13.15831342
  O     17.95485288     11.88250335     -9.27850355
  H     14.47701232      5.04490936     -8.35650861
  H     16.58607368      5.17512775    -12.95041810
  O     12.10005728      6.67524664     -7.41856032
  H     14.01452366      3.64470354     -7.88577306
  H     16.22458204      5.89584652     -9.76463523
  O     14.28422790      9.32820858    -12.24346590
  H     17.49080543     11.88524627     -8.43280941
  H     15.41332590      6.96734924     -9.03255477
  O     18.79724143      8.49231146    -10.90510815
  H     17.39242616     11.38421665     -9.88916259
  H     18.10125325      6.62700755    -13.31045526
  O     18.01509622      5.91131700    -10.10898321
  H     12.53693823      7.24247291     -6.77263350
  H     18.57201828      7.94372408    -12.67481748
  O     11.31994006      7.70790339     -9.78008019
  H     12.63358661      5.87183572     -7.47118076
  H     17.83721381      9.92354574     -6.81901540
  O     16.68674047     11.48232514     -6.71738098
  H     13.98105177      8.45892261    -11.94369179
  H     18.99523059      9.43331982     -7.71710302
  O     12.96248115     10.04109239     -9.68839310
  H     14.73868759      9.16476034    -13.08016490
  H     15.94521459      8.77410855    -15.34488815
  O     14.21410339     10.40532345     -7.26852205
  H     17.98337532      9.01840060    -10.94105421
  H     16.72358302      8.22318348    -14.12902460
  O     13.65750925      8.23723869     -5.59448158
  H     19.40576461      8.98761131    -10.34635153
  H     15.28340589      9.15783105     -8.04711362
  O     17.48501613      4.90028956    -12.69469745
  H     17.93633266      5.44062810    -10.94912186
  H     16.74376716      8.61035667     -7.99147571
  O     15.32851235      6.10877859     -9.47552166
  H     18.32199217      6.80110538    -10.33549091
  H     19.39482044     10.89798123     -9.16990249
  O     18.22563620      7.56610618    -13.49391664
  H     10.37080282      7.66654207     -9.85855096
  H     20.91678939     10.64979654     -9.00956455
  O     18.30623443      9.13138470     -7.11057132
  H     11.54979834      7.32505551     -8.91421575
  H     16.35487115      6.25605654     -6.28403080
  O     15.83664419      8.46725869    -14.44856876
  H     15.77706452     11.18890422     -6.89349547
  H     14.98794815      5.54858300     -6.35051751
  O     15.91134951      8.56655662     -8.47913749
  H     16.63095676     12.13682062     -6.02533858
  H     14.09724269      6.51853872    -10.71188857
  O     20.07315219     10.20809887     -9.04838895
  H     13.38240793     10.04205335    -10.55502433
  H     12.63777584      7.01428436    -10.90491046
  O     15.46538069      6.25652998     -5.90300320
  H     12.33266484      9.30928620     -9.70952226
  H     18.27520864      7.21698879     -7.05277949
  O     13.44702903      6.78731090    -11.37811054
  H     13.69179437     10.37402835     -8.08600945
  H     18.07779426      6.09362580     -8.09819178
  O     17.96546951      6.30907469     -7.16547605
  H     13.89463246      9.72367118     -6.66097709
  H     14.39382245      6.07519430    -12.80742458
  O     15.06534738      5.87025836    -13.47167215
  H     14.36985050      7.57674263     -5.68146074
  H     15.24037486      6.70280821    -13.92710788
          69
 Energy    -248.39304651543335     
  O     16.20946332     12.82073272    -16.51711654
  H     16.15245026     13.55374793    -17.12453901
  H     16.34011027      5.46857743    -14.98434788
  O     15.39600787      6.83264516    -14.06865764
  H     15.32598816     12.71837633    -16.12078184
  H     16.27116409      8.80510462    -17.95915878
  O     17.84531360     12.73543960    -14.17126812
  H     15.08243604      6.90237081    -13.15684886
  H     16.43124363      7.28789619    -18.22840920
  O     19.80000466      6.87530089    -16.68107331
  H     15.33953919      7.72435757    -14.45144874
  H     14.36105225      9.61144573    -15.27451999
  O     13.18314656      7.86405651    -17.88322108
  H     17.27478420     12.18710722    -13.61598528
  H     15.85993393      9.60883164    -15.69797776
  O     16.87151317      8.90854387    -11.29737496
  H     17.34536662     12.88270924    -14.98239611
  H     12.13912120      9.05664388    -12.88265139
  O     11.18689722      8.29054906    -14.28705174
  H     19.67896015      7.77655847    -16.35063666
  H     13.34728890      8.80658457    -11.95248560
  O     13.43299330     12.07833223    -12.57668097
  H     19.87969380      6.31580726    -15.89918344
  H     12.82025638      9.31424137    -16.77930723
  O     19.44654970      5.25619592    -14.32470724
  H     14.14121797      7.91598055    -18.05734310
  H     12.06971750      9.50569788    -15.44153359
  O     14.60505139      7.45748393    -11.45593856
  H     12.76434290      7.66411765    -18.71573413
  H     19.63036288     10.04729935    -15.10126790
  O     17.63835505      5.90051077    -17.98454103
  H     16.64533010      9.74952566    -11.72012894
  H     18.79165504      8.79783715    -14.68196584
  O     16.98103992      4.88192183    -15.40474673
  H     17.50337674      8.48132946    -11.89014000
  H     18.70927259      6.80586301    -13.59209704
  O     15.81309275      8.02487647    -18.30004661
  H     10.28479188      7.98255570    -14.28787138
  H     17.25390876      7.30669351    -13.66923966
  O     15.24995556      9.37107127    -14.98615489
  H     11.73364347      7.56843128    -14.64571570
  H     20.94216792     12.00408560    -13.92906278
  O     12.72817883      9.48386340    -12.24859342
  H     13.00016309     12.61304730    -11.91677244
  H     19.45314418     12.04322687    -14.31973191
  O     12.68858820      9.93213068    -16.04737626
  H     13.13479809     11.16115135    -12.43644506
  H     17.81407919      9.93426962    -16.48974999
  O     19.12824229      9.29186825    -15.44081102
  H     18.57660744      5.00833868    -14.68858911
  H     16.83636589     11.10055280    -16.88938632
  O     18.14827166      7.57465416    -13.42559631
  H     19.84079889      4.46032883    -13.97948805
  H     15.21044827     11.51741484    -12.64492279
  O     20.28235600     11.54906987    -14.44402589
  H     15.41358001      7.98169243    -11.30649291
  H     15.78947108     10.45588784    -13.59909063
  O     17.00120732     10.15291410    -16.96951252
  H     14.46253245      6.93863247    -10.66879565
  H     13.28079395     11.67329478    -15.74042074
  O     16.02192247     11.04461523    -12.86639092
  H     18.44226870      6.28148049    -17.58715602
  H     13.62666527     12.43469687    -14.44959362
  O     13.75190298     12.44814047    -15.40612595
  H     17.92529372      5.36479211    -18.71970096
  H     13.72472792      6.44521245    -14.99140333
  O     12.86084957      6.48468332    -15.41633418
  H     17.07123785      5.18074171    -16.31917870
  H     13.00729503      6.83971646    -16.30364789
          69
 Energy    -248.39297912162107     
  O     -0.95979718      4.96841993      2.58692822
  H     -1.76668551      4.55259426      2.25239891
  H      0.68388231      1.48773885      2.11687292
  O     -2.91817047      5.86272512     -0.77472159
  H     -0.32341238      4.94353796      1.85169370
  H     -0.58703022      3.86015301     -2.37578268
  O      4.02801198      6.40968299     -0.55743518
  H     -2.87796971      5.16329764     -0.10757571
  H      0.30003535      2.66598137     -2.79981910
  O      2.19203560      7.31100731      1.20332279
  H     -3.60294749      5.57801249     -1.39476942
  H     -3.76141996      1.35982874     -2.14799249
  O     -0.37173699      5.53623458     -1.81707969
  H      3.42366420      6.83213913      0.07893764
  H     -3.06304919      1.08170675     -0.81184549
  O      2.38024999      2.61645652     -0.05850661
  H      4.70311714      7.05262482     -0.76049725
  H      3.54636862      4.16894345      2.88189707
  O      0.86512381      4.93578440      0.54371264
  H      1.56992166      7.99524684      0.91255849
  H      3.77852450      3.96090818      4.39634165
  O     -1.81632615      7.47562644      1.23865813
  H      1.99586077      7.11307677      2.13020507
  H     -5.13257473      3.99193681     -1.53174829
  O     -1.44673325      1.78632191     -0.15900528
  H     -1.27404905      5.80282468     -1.59846525
  H     -4.27118778      3.83849754     -2.79714856
  O     -2.96048847      3.74572763      1.10171956
  H      0.05654606      5.35691757     -0.96505756
  H     -2.23447571      2.61275050     -3.32042842
  O      0.26299448      9.07759034      0.47950796
  H      2.33433300      2.49744126     -1.01479399
  H     -3.13427293      2.32126453     -4.54073724
  O      0.72076596      0.86560562      1.36633674
  H      1.86910233      1.91395250      0.36224276
  H      0.03090326      3.42445193      3.22180154
  O     -0.60800694      2.91506793     -2.59303795
  H      1.45024384      4.18609745      0.38318364
  H      1.51782247      3.13407095      3.51932185
  O     -3.91315569      0.99811315     -1.26552228
  H      1.39866105      5.71150014      0.76517261
  H      2.30273943      3.58781925     -2.85063420
  O      3.09901185      4.11175361      3.74432230
  H     -1.60464803      6.76036914      1.84609823
  H      2.76956992      2.27717548     -3.53497646
  O     -4.76804090      4.48299611     -2.27886812
  H     -2.29334306      7.06623625      0.50367732
  H      0.50264503      5.99711837      3.52709526
  O     -3.15299962      2.46318207     -3.59732465
  H     -0.71937354      1.40346242      0.34484411
  H      1.97541342      5.62593367      3.79309572
  O      0.67271754      2.71132360      3.31795551
  H     -1.08354983      2.15502274     -0.97559112
  H      4.30221783      4.94200821      0.66977911
  O      2.17864048      2.61972153     -2.87035649
  H     -2.40645745      3.05869422      0.70216719
  H      3.71150767      3.52795705      0.78728821
  O      1.38033179      6.37465688      3.65306265
  H     -3.87438782      3.50573717      0.90513609
  H     -4.97253385      2.11092499     -0.40700954
  O      4.22524317      4.19170273      1.26964672
  H     -0.01477242      9.98930234      0.47448500
  H     -6.26228582      2.52689640      0.34214282
  O     -5.42266066      2.85492997      0.03196266
  H     -0.51718856      8.56088289      0.74505866
  H      1.44786646      5.59495426     -2.46690204
  O      2.35247857      5.29559552     -2.62702133
  H      0.83877731     -0.00645188      1.73259018
  H      2.91190725      5.70185763     -1.95408479
          69
 Energy    -248.39293564461354     
  O     -5.56440846      1.12981135      0.56104315
  H     -4.96656584      1.80279850      0.20184315
  H     -2.60062958     -1.53584011      3.68665423
  O     -5.72966227      0.71033643     -4.13808697
  H     -5.48612707      1.19246780      1.52045321
  H     -0.46298686      2.39082176      3.11403075
  O     -4.84625475      1.26111632      3.29775121
  H     -5.31040086     -0.15168405     -4.25523901
  H      0.91454772      1.99549533      2.55155541
  O      0.03430758     -1.50628679      1.67978118
  H     -6.27281548      0.63488410     -3.34272105
  H     -2.37025013      4.19445871     -0.88042026
  O     -1.90928162     -1.38765635     -0.34004611
  H     -5.16869944      1.82172586      3.99918861
  H     -0.91857908      4.62894396     -0.57768580
  O     -4.19412512     -1.73246588     -4.08583435
  H     -3.88269159      1.38506833      3.26408666
  H     -2.94070747      2.31988377     -0.07827361
  O     -4.55814109     -1.52185528      0.42107947
  H     -0.51838414     -1.55603061      2.46936739
  H     -3.74843169      2.61885594     -1.36392321
  O     -2.14666537     -0.32192783     -2.89656958
  H     -0.56428216     -1.60328175      0.92692324
  H      1.35535270      1.42889647      0.12791051
  O     -3.63520600      2.03790612     -3.00625320
  H     -1.94360048     -1.13773375     -1.27355715
  H      0.90921154      2.86168029     -0.26872724
  O      1.80389942      0.53152563      1.69286814
  H     -2.82115046     -1.54399072     -0.05556700
  H      0.41129964      3.91288348      1.49828616
  O      0.08228843      1.23043952     -3.17416023
  H     -3.39775656     -1.31990203     -3.71224836
  H      1.05499232      5.18249989      0.89932951
  O     -1.67692310     -1.35783397      3.93975907
  H     -3.89868065     -2.31625856     -4.78011685
  H     -5.34196007     -2.17151624     -2.62862736
  O      0.38273548      2.75432138      2.82597227
  H     -4.85487370     -0.60288932      0.44961250
  H     -6.43977378     -1.42930465     -1.84237981
  O     -1.59265811      4.61715100     -1.26686999
  H     -5.02553028     -1.93585643     -0.31881382
  H     -1.90165648      1.30632099      2.18641020
  O     -3.67155761      2.85552146     -0.42508426
  H     -2.72787516      0.44893364     -2.82738167
  H     -1.85511724      0.45500982      3.48736624
  O      0.92836890      1.94416014     -0.57000080
  H     -1.26738603      0.04839562     -3.06324179
  H     -4.39896688     -1.73419558      2.24743827
  O      0.49709010      4.43934116      0.68406834
  H     -3.01592843      2.57117693     -3.51839790
  H     -4.61988085     -0.68023212      3.34524178
  O     -5.90679073     -2.23444523     -1.84820823
  H     -4.36773988      1.73082493     -3.55855555
  H     -1.74023511      0.32745016      0.17679911
  O     -2.07937961      1.32867460      3.14046080
  H      1.18605325     -0.22190553      1.68289260
  H     -0.77747981      1.53728377      0.05464130
  O     -4.26518387     -1.56368022      3.19057552
  H      2.66269139      0.17728909      1.90710213
  H     -8.04059686      0.56657204     -1.47415403
  O     -1.62110587      1.25370594      0.42628211
  H      0.47624803      1.44466975     -2.31802144
  H     -6.63660042      0.67305579     -0.84739856
  O     -7.11982574      0.36996451     -1.63232132
  H     -0.34025785      2.04381054     -3.47665036
  H     -1.44350045      4.02308346     -2.91694658
  O     -1.43595608      3.61258775     -3.80043499
  H     -1.53436260     -1.78849261      4.77835122
  H     -1.25983378      4.31057330     -4.42548942
          69
 Energy    -248.39279315670944     
  O     15.34077259     10.36059869    -14.49402404
  H     15.84163861     10.35720779    -15.32443705
  H     19.35640212      4.01901766    -15.68025214
  O     13.83888658      4.53603855    -16.54850805
  H     14.44324864     10.08727363    -14.71127241
  H     19.22674109      7.62222440    -16.77192508
  O     17.75467033      6.27341411    -12.09365900
  H     13.75794251      4.47473333    -15.58747699
  H     17.90399161      7.58298809    -15.96616150
  O     19.96772683      6.40642226    -17.99447082
  H     13.72637637      5.47339790    -16.75698619
  H     16.53548878      5.81445878    -16.07764879
  O     17.28791265      6.31039329    -18.97108129
  H     17.17769506      6.98972423    -12.40707020
  H     15.54327601      6.98622572    -16.03673947
  O     13.61993237      6.02986642    -10.43968140
  H     18.58669024      6.38252512    -12.56875440
  H     11.91802090      9.37871075    -14.77104630
  O     13.87674870      4.64059172    -13.72446825
  H     20.79389176      6.35355465    -18.46711184
  H     12.93746711      8.40045764    -14.14737525
  O     16.16672558      8.06281188    -13.32000051
  H     20.00003451      5.72917478    -17.29500217
  H     16.01382273      3.76857540    -10.30004753
  O     17.96698768      2.79341305    -15.32105053
  H     16.96850117      5.54723050    -18.46871358
  H     16.12533567      3.16388765    -11.70226995
  O     13.10740661      3.34084842    -11.33353248
  H     18.23039217      6.36613346    -18.77696038
  H     13.50790760      8.00272924    -16.30589726
  O     16.48362533      4.32088293    -17.19188293
  H     14.53639236      5.94099316    -10.15157921
  H     14.39303845      7.82982735    -17.59384951
  O     19.99158392      4.72367671    -15.85582701
  H     13.31939616      5.13328767    -10.63365991
  H     20.73075686      7.22684757    -13.59267601
  O     18.76458212      8.02758992    -16.02686779
  H     13.72593414      5.57293777    -13.51764546
  H     19.51912120      7.32780426    -14.54368266
  O     16.37820153      6.67099559    -15.66302220
  H     13.49249635      4.13254377    -12.99903025
  H     15.66099999      4.26968315    -13.55221090
  O     12.78089040      8.99354403    -14.90209810
  H     16.27007535      7.53036602    -14.12430915
  H     16.99940289      4.80186542    -12.95340853
  O     15.75953083      2.99747448    -10.82328255
  H     15.97858440      8.96752152    -13.61087391
  H     16.84855591      5.91273474     -9.00015055
  O     13.96929013      7.36233568    -16.86161024
  H     18.03104014      1.85633568    -15.15604570
  H     16.95651474      5.84132467    -10.53842214
  O     19.91475941      6.79384357    -13.83374866
  H     17.47230764      3.17911118    -14.57718047
  H     15.45150323      8.75081344    -19.73542834
  O     16.57364221      4.02607703    -13.34028282
  H     14.02207577      3.10454115    -11.09738111
  H     16.22486379      7.68389954    -18.92656883
  O     16.41496896      5.57138717     -9.77868944
  H     12.55104809      2.62276556    -11.04503996
  H     14.47809611      7.60555275    -12.94988215
  O     15.62214189      8.44567422    -18.84833537
  H     16.94488479      3.65879565    -16.66706251
  H     13.46037826      6.96952982    -11.96633218
  O     13.55998943      7.30687698    -12.86825014
  H     15.53078589      4.24433049    -17.02163930
  H     17.63955512      9.53342958    -16.55677910
  O     16.85742234     10.04259880    -16.80018890
  H     20.00032528      5.28993015    -15.07525210
  H     16.45506010      9.56885269    -17.53810586
          69
 Ord_Energy   -248.392609    
 O   -7.15300417       3.31929564       9.60693264    
 H   -6.37527990       2.83678961       9.27620506    
 H   -7.22608185       3.11738276       10.5362864    
 O   -3.28392196       4.52190018       8.28620243    
 H   -2.48236299       4.83258057       8.69730473    
 H   -3.11843395       4.49630070       7.32547665    
 O   -9.55147076      0.618102014       6.35372114    
 H   -10.3389692      0.293660998       6.78305960    
 H   -9.38983059       1.50971627       6.70285368    
 O   -3.16772366     -0.573212862       1.81386411    
 H   -3.73570776      0.205300659       1.89507532    
 H   -3.69758201      -1.31444955       2.13403034    
 O   -9.13642025      0.698210478       3.44744325    
 H   -8.99669266       1.64230049       3.26728773    
 H   -9.43780041      0.648675263       4.35943508    
 O   -4.84528732       1.55080330       2.63403893    
 H   -5.19376278       2.40852857       2.36304903    
 H   -4.28930426       1.68787026       3.41355014    
 O   -6.83563995       2.90210806E-02   5.86049128    
 H   -6.79810381     -0.214695558       4.92497635    
 H   -7.76737642       8.61311182E-02   6.10334730    
 O   -4.28225851       7.63982609E-02   6.87948608    
 H   -5.20739508      -2.58939192E-02   6.60865879    
 H   -3.80397153     -0.670460224       6.49085903    
 O   -9.07197380       5.09852314       5.25864410    
 H   -8.42504692       5.75198603       5.54851437    
 H   -9.18888378       4.50374079       6.00934172    
 O   -8.72938061       3.09945297       7.25839806    
 H   -7.93269348       3.08752489       6.70477247    
 H   -8.40107727       3.19585490       8.15972519    
 O   -5.92788935       5.63707972       8.39776707    
 H   -6.41708660       4.96051311       8.87945271    
 H   -5.00589609       5.35147762       8.39554214    
 O   -5.93415117       4.07576227       2.07595110    
 H   -5.81354237       4.72898197       1.39163923    
 H   -5.74955940       4.51458406       2.92445540    
 O   -1.31054699     -0.198731765       3.75005746    
 H  -0.410781294     -0.249888957       3.44070077    
 H   -1.88532448     -0.347144037       2.97714734    
 O   -8.57110977       3.35636973       3.10417819    
 H   -8.76723576       4.01561689       3.78421640    
 H   -7.74747181       3.62409401       2.68599916    
 O   -4.85803652      -2.45594454       3.15468931    
 H   -5.59047127      -1.81589472       3.13943577    
 H   -5.22282934      -3.29345655       2.88016844    
 O   -3.10578704       1.66501963       4.84825516    
 H   -3.52683353       1.16365635       5.55912018    
 H   -2.38880920       1.11468518       4.50714827    
 O   -6.26825237       2.76903987       6.00007439    
 H   -5.75037146       2.71149111       6.81350374    
 H   -6.47200489       1.85781121       5.75267410    
 O   -4.90697956       2.25816607       8.44713688    
 H   -4.56179905       1.45089447       8.03996754    
 H   -4.21526384       2.93341088       8.44816780    
 O   -6.69915056     -0.443397373       3.13491988    
 H   -7.60945749     -0.108773991       3.11304855    
 H   -6.10923243      0.287254393       2.89819312    
 O   -6.94149113       6.82197523       6.17237568    
 H   -6.60290241       6.43630219       6.99985838    
 H   -7.01033497       7.76206446       6.31504440    
 O   -3.00238967       4.33772469       5.62962389    
 H   -2.93850827       3.42035890       5.32917309    
 H   -3.78458738       4.70239353       5.19587755    
 O   -3.06732249      -1.84289360       5.33863020    
 H   -3.68628621      -2.13351274       4.65691423    
 H   -2.35098577      -1.40099514       4.86683035    
 O   -5.52327442       5.01065922       4.59055901    
 H   -5.97092104       5.74453783       5.02809811    
 H   -5.82379484       4.20194101       5.03678179    
          69
 Energy    -248.39251974693059     
  O     12.86383367     10.59860733    -16.03209126
  H     13.10834833     11.44619996    -15.63953313
  H     16.70185787      5.99895247    -14.40734187
  O     16.36810973      6.74171681    -12.86237111
  H     13.57687486     10.36520670    -16.63592766
  H     20.71968895      8.91031671    -13.45411525
  O     16.57852949     10.74771354    -10.92374415
  H     16.93709231      7.23395462    -12.25387977
  H     19.54730410      8.33976598    -14.28545748
  O     17.95705588     10.64117707    -14.88956919
  H     15.47318534      6.70804090    -12.49479038
  H     15.73912567     11.48722356    -16.71415683
  O     14.79267200      7.40876407    -16.28784813
  H     16.16754543     10.68274707    -10.05246405
  H     16.79785347     11.91968520    -15.68526219
  O     13.02626008      9.00247384     -9.16035020
  H     15.87409599     10.99473142    -11.53619236
  H     15.34210995      8.70480604    -15.01648110
  O     13.77670713      6.79169984    -11.95149034
  H     18.66847733     10.28315971    -14.34794039
  H     16.01591564      8.36995129    -13.67902840
  O     14.51446972     11.10063652    -12.79868388
  H     17.16824549     10.12712863    -14.65221893
  H     11.82658867      9.62430629    -15.01799371
  O     18.13573249      9.60553470    -17.45262230
  H     15.50483184      6.78161064    -16.11641060
  H     10.36791172      9.21984906    -14.70468956
  O     14.16991039      6.35555345     -9.22846113
  H     14.02549291      7.10636482    -15.77742285
  H     16.24977003      8.54006020     -8.72480948
  O     19.03511849      7.47158907    -15.73145235
  H     13.25864279      8.06693709     -9.11383172
  H     17.14166482      7.83401263     -9.76401827
  O     16.86568843      5.70678325    -15.32202777
  H     12.74045778      9.16480696    -10.06939853
  H     13.07188020      6.53859309    -13.70889100
  O     19.76880578      8.91283278    -13.52969026
  H     13.40104927      7.68397549    -11.94010146
  H     12.15554968      7.42815473    -14.56966578
  O     16.05268858     12.24688040    -16.20509850
  H     13.83742832      6.50678284    -11.03089771
  H     17.49306054      9.29043214    -11.25803103
  O     15.75463633      9.10774393    -14.24335055
  H     14.26687405     11.83049619    -13.37737554
  H     18.64655313      8.58980487    -12.03205068
  O     11.26942008      9.09580615    -14.41936666
  H     14.90960389     10.41613847    -13.36138907
  H     15.24040421     10.70652505     -7.62584792
  O     16.53703406      7.66942180     -9.03021159
  H     18.71062292     10.12109597    -18.01418821
  H     14.47679857      9.84802167     -8.66147314
  O     12.76360405      6.67915616    -14.61290493
  H     18.13697663     10.03831807    -16.58176163
  H     15.00778014      8.91801274    -17.22808308
  O     17.93850982      8.43751102    -11.39635734
  H     15.05615357      6.75302801     -9.14850761
  H     16.21960699      9.72794399    -17.68208844
  O     15.35316599     10.20080723     -8.42585255
  H     14.13170090      5.63768117     -8.60282243
  H     12.01234297      9.25998852    -12.69791123
  O     15.27406336      9.80891632    -17.50473991
  H     18.75641697      8.05618395    -16.44587632
  H     13.24378625     10.01008961    -12.14557492
  O     12.59254057      9.32652155    -11.92986904
  H     18.34315586      6.80353042    -15.64677360
  H     14.69329139     12.83152217    -15.30760018
  O     13.87231689     12.97205701    -14.80103133
  H     16.83402662      4.75347959    -15.31759926
  H     13.65085752     13.89543257    -14.88075820
          69
 Energy    -248.39203552138741     
  O     15.54721615     12.18473568    -11.59697097
  H     15.99871424     11.72193821    -10.88195892
  H     17.29751403      5.16118518    -14.61820049
  O     14.20703163      6.86234606    -14.44447286
  H     16.23517256     12.38796157    -12.24239724
  H     18.53131711     11.04881487    -12.49984611
  O     15.83329861      5.96977043    -10.38175889
  H     13.34380139      7.20403314    -14.17859620
  H     18.80684848      9.52202007    -12.43397512
  O     18.47926866      7.85886123    -13.30385273
  H     14.39532680      6.11274812    -13.86644592
  H     16.77311590      8.46639604    -13.34660242
  O     14.25010271     10.09511978    -16.91328833
  H     15.29628693      5.64650980     -9.64410084
  H     15.30323042      8.14569560    -13.77626946
  O     11.99954017      6.47777071     -9.87010311
  H     15.67581457      6.92313584    -10.44701955
  H     12.49862832     12.28280114    -12.21923507
  O     11.78708125      7.68699914    -13.35427002
  H     18.48846649      7.12367233    -12.67649996
  H     13.93097891     11.72409718    -12.10312835
  O     15.37325508      8.65909860    -10.67050567
  H     18.42577825      7.47365567    -14.18934630
  H     12.79078233     10.57344999    -14.00412964
  O     11.88135649      5.02271031    -12.34954182
  H     13.61650236     10.06002344    -16.17374211
  H     12.13364479      9.24491504    -14.41935789
  O     17.96116794      6.60023756    -15.75866979
  H     13.77767751     10.45882106    -17.65704409
  H     18.90008105      5.25005916    -10.96551656
  O     15.62127072      7.58213771    -16.69594320
  H     11.86097209      5.95616870    -10.67005161
  H     17.43484937      5.73057708    -11.07807395
  O     17.03196657      4.55439428    -13.91739339
  H     12.09687089      7.39317111    -10.15998876
  H     15.39921576      4.52653744    -13.14464078
  O     18.79294369     10.33094981    -11.90798651
  H     11.61991938      6.77089430    -13.10201217
  H     14.97117845      5.17634273    -11.80756440
  O     15.86472185      8.79892938    -13.33833774
  H     12.06119230      8.14093608    -12.54263767
  H     13.73703846      5.03537578     -7.59333279
  O     13.01626780     11.48986720    -12.33757228
  H     15.94444469      9.29103089    -10.21793787
  H     13.26299314      5.71264274     -8.89150713
  O     12.57332337     10.02816441    -14.77055810
  H     15.51969006      8.78225576    -11.62243029
  H     18.09655656     13.20938649    -13.89934508
  O     18.27096833      5.64008505    -11.56694862
  H     11.42531750      4.20379612    -12.52714028
  H     17.17997140     11.97990244    -14.12170405
  O     14.62539571      4.78652326    -12.62248797
  H     12.82998094      4.84041887    -12.45578339
  H     13.58618447      8.83218415    -10.81565230
  O     14.02545023      5.28245018     -8.46714389
  H     18.52848594      6.37615922    -16.49174870
  H     12.64874326      9.89602108    -11.40388080
  O     17.71020440     12.45922678    -13.45705312
  H     17.15620066      6.99196296    -16.14220830
  H     17.79163241     10.48680995    -10.50029338
  O     12.66103848      8.99776241    -11.05044603
  H     15.24992849      8.44824346    -16.89669111
  H     17.62230871     10.88373064     -9.01259151
  O     17.13871860     10.61025050     -9.78660598
  H     15.04485576      7.21662567    -16.00833393
  H     15.58486639     10.82011264    -15.78744901
  O     16.16175863     10.98440203    -15.03520368
  H     17.55764033      4.80523160    -13.14699522
  H     16.00868090     10.24677099    -14.42662895
          69
 Ord_Energy   -248.391953    
 O   -8.49698448      -2.75206852      -1.57882965    
 H   -9.22328854      -2.72413325     -0.928975224    
 H   -8.90232658      -2.76878619      -2.44154716    
 O   -10.4241123      -2.83172512      0.333436251    
 H   -10.5903864      -2.15507340       1.00272501    
 H   -10.2789488      -3.65890980      0.808557808    
 O   -4.13265181      -1.71740842       3.42650151    
 H   -4.54425383      -2.59326839       3.36906528    
 H   -3.90836263      -1.60039639       4.35754204    
 O   -7.85570526      -1.42517471       2.22897029    
 H   -8.78401089      -1.15722024       2.25701475    
 H   -7.32386637     -0.767206132       2.69665527    
 O   -7.74792004       1.56861854      0.223265961    
 H   -7.35734320      0.727129459      -4.49893996E-02
 H   -7.10117531       2.00339985      0.791897655    
 O   -10.1207447       1.82034707       1.51667905    
 H   -10.7072487       2.37496662       1.00855839    
 H   -9.30902290       1.71227860      0.988047659    
 O   -8.01241875      -3.85858059       3.38706899    
 H   -7.95059538      -3.00800109       2.92290807    
 H   -8.60109711      -4.41996098       2.86986303    
 O   -7.48349237      -5.03881168     -0.185943112    
 H   -7.70194912      -4.28387928     -0.746456861    
 H   -6.55265760      -4.95563889       5.25045916E-02
 O   -8.51018620       2.79049897       3.66556358    
 H   -8.65044689       2.31008554       4.48993826    
 H   -9.17453194       2.47738147       3.03861141    
 O   -8.13576317      -2.77606368       5.94056749    
 H   -8.12858963      -3.17287278       5.05547476    
 H   -7.61505795      -1.96205187       5.90502787    
 O   -5.46846914      -3.91072989       6.14497948    
 H   -6.40827131      -3.71075225       6.23498440    
 H   -5.34131813      -4.21296358       5.23551178    
 O   -4.24498606      -2.10398793      0.548133433    
 H   -5.03456926      -1.64051139      0.234724194    
 H   -4.07333660      -1.80545902       1.44815993    
 O   -10.5479164     -0.832350612       2.32023454    
 H   -10.5330381      0.101487137       2.07481265    
 H   -10.5630484     -0.892428815       3.28820395    
 O   -10.2316370     -0.971529186       5.04364395    
 H   -9.87519741     -0.157020196       5.41712427    
 H   -9.70122242      -1.68264675       5.42192221    
 O   -9.54104233      -5.28569317       1.54562223    
 H   -9.94146347      -6.14935350       1.49990630    
 H   -8.79435444      -5.28399467      0.917852461    
 O   -4.05675268      -1.61099589       6.30602074    
 H   -4.50381756      -2.47747445       6.32378912    
 H   -3.36184502      -1.64749157       6.95748663    
 O   -6.73559332      -1.04139686     -0.227935106    
 H   -7.25100565      -1.56816041     -0.851192236    
 H   -7.12323046      -1.22685933      0.642724335    
 O   -6.58938313     -0.345265120       6.01883745    
 H   -6.44857740      -7.69713819E-02   5.09638643    
 H   -5.73732090     -0.683288634       6.31595802    
 O   -4.75335026      -4.76391411      0.597959697    
 H   -4.04252481      -5.25019741      0.188377917    
 H   -4.53466368      -3.81874776      0.509272695    
 O   -6.17175722       2.76489782       2.30276012    
 H   -5.72200012       3.60457158       2.32726288    
 H   -6.98861694       2.86209321       2.82796979    
 O   -8.79839611       1.29035592       6.09412527    
 H   -8.98867607       1.65471518       6.95563221    
 H   -7.99914837      0.746382535       6.19227695    
 O   -6.05813217      0.235069394       3.42677879    
 H   -5.29055643     -0.342911512       3.30760193    
 H   -5.90835619       1.08786440       3.00326443    
 O   -5.30082035      -4.26928902       3.33370686    
 H   -6.26753378      -4.19468689       3.33544111    
 H   -5.05704069      -4.59020281       2.45792890    
          69
 Energy    -248.39138421303704     
  O     18.28544597      8.81527019    -10.17898163
  H     17.50934738      9.31480110    -10.47385976
  H     17.17525398     11.76186984    -10.82620266
  O     19.74975808      3.32244937    -12.36486398
  H     17.99597152      7.91684362     -9.98516576
  H     18.60401415     10.81538596     -7.74513147
  O     21.40624006      7.23897125    -11.78147638
  H     18.93662160      3.59074281    -12.82868545
  H     18.94991106      9.65911982     -8.71208772
  O     15.38121896      9.81992051     -8.50179424
  H     19.77969905      2.36991890    -12.38539744
  H     19.27669911      9.14494062    -11.57201350
  O     19.03041243      6.12258852    -15.42856609
  H     21.97832242      7.53099353    -11.06042964
  H     20.01906615     10.29156094    -12.28795322
  O     22.76093309      8.08887541     -9.47557704
  H     20.90457556      8.01304831    -12.07159362
  H     20.80225001      4.60303044    -13.36740053
  O     16.27853902      7.27636791     -7.47549794
  H     15.67515932      8.99860928     -8.08944313
  H     21.34327699      6.03689557    -13.17772420
  O     21.08350763      6.48328385     -8.11885769
  H     15.92088061     10.52779827     -8.12676608
  H     17.98551076      4.85502110    -14.41326744
  O     19.04050604      7.66023889     -6.66340312
  H     19.26454417      6.02927615    -16.34792491
  H     16.99777702      4.87690206    -13.23130518
  O     17.31488179      6.20704983     -9.77801342
  H     19.82385439      5.89193292    -14.91123810
  H     15.65189409     10.08431591    -10.24625632
  O     17.15960402     11.99235764     -7.82584105
  H     23.65419439      7.93826291     -9.17821781
  H     15.63801142      9.83696726    -11.80806280
  O     17.76416576     12.42458789    -10.43810049
  H     22.18362418      7.53709435     -8.91534549
  H     16.08291338      8.73810797    -13.70492109
  O     19.26651301     10.13951680     -7.93093960
  H     16.59766630      6.81268391     -8.26820928
  H     14.67845568      9.20906843    -14.13934140
  O     19.74164560      9.37420201    -12.39426218
  H     15.70850093      6.66540175     -7.01398248
  H     20.83431151     10.55836582     -8.78179765
  O     21.09284342      5.38690729    -13.84902216
  H     20.38791020      6.83259343     -7.54276723
  H     22.01917414      9.83634873     -9.45540454
  O     17.60013394      4.30340754    -13.72059719
  H     20.64769850      5.92257196     -8.77073403
  H     18.23596008      7.52325652    -14.53689636
  O     16.11153992     10.25865511    -11.08406088
  H     19.18856395      8.57514557     -6.94139705
  H     18.50842637      8.63531479    -13.47547398
  O     15.17975638      8.90618110    -13.38631393
  H     18.10007277      7.50532910     -6.80000243
  H     20.95028249     12.66928926    -11.80129115
  O     21.54593433     10.67574787     -9.42725047
  H     18.18960428      5.81681805     -9.92107966
  H     20.86445444     11.52599470    -10.76131889
  O     17.81079383      8.14237698    -13.92991308
  H     16.85847431      6.20083815    -10.62989070
  H     16.98785345      6.92236363    -12.78900473
  O     20.40682805     11.93947486    -11.51724236
  H     17.38059347     12.24025489     -8.74232231
  H     15.49875746      6.95542545    -12.50855914
  O     16.28224520      6.42193833    -12.35016554
  H     16.97721190     12.80245904     -7.35782831
  H     20.34120434      6.01453976    -10.88454148
  O     19.84003100      5.33541709    -10.41092237
  H     18.63535570     12.28865800    -10.82731773
  H     19.83714522      4.55299897    -10.97538991
          69
 Energy    -248.39134614533219     
  O     16.48685951     10.62707943    -10.79631784
  H     17.23978129     10.11436028    -11.11880557
  H     11.95907188     11.53966321     -7.71157016
  O     15.34298436      4.88142598     -7.50443714
  H     15.73317101     10.44196914    -11.37425767
  H     14.56255033      8.67773682     -7.67390172
  O     16.56708114     13.10165670     -9.71552474
  H     15.54806584      5.57599973     -6.85140043
  H     13.34274208      9.42595572     -7.12335008
  O     12.92855002      6.24935778     -8.25266383
  H     15.44941278      4.04584877     -7.05887528
  H     16.01060845      5.69427978     -9.02405022
  O     14.35827458      9.90251495    -12.36326885
  H     16.53142268     12.23287054    -10.15500750
  H     16.18844596      7.19974553     -9.35673001
  O     18.64973518      9.06856970    -11.59244781
  H     16.36957766     13.75596024    -10.38006183
  H     16.26359959      7.64293841    -13.15517725
  O     20.42026837     10.53489894     -9.98178238
  H     13.11189051      7.07018188     -7.77321062
  H     17.58698596      8.44029266    -13.06497943
  O     18.94906207      6.54354702    -10.38237861
  H     13.64459386      5.64863395     -8.01938027
  H     17.65174415     11.90485628     -5.19152502
  O     12.27340411      7.00454596    -10.75415144
  H     14.51502834      8.95712297    -12.22098575
  H     16.75023182     11.69019619     -6.43110572
  O     15.34679035     12.17619268     -7.32513569
  H     14.61169839     10.08877952    -13.27820803
  H     16.05511098      9.38152799    -14.56726752
  O     12.50074060      9.84476634    -10.28871436
  H     19.31803169      9.62190507    -11.16621186
  H     15.34525582      9.95084168    -15.80751796
  O     12.77218780     11.07378799     -7.88778495
  H     18.75691809      8.18701859    -11.21054496
  H     16.69622617      8.86629084     -8.03042333
  O     13.82687738      8.59756129     -7.04537145
  H     19.90618495     11.15385036     -9.43274486
  H     16.16130931      9.52705581     -9.35367188
  O     16.32551322      6.30257684     -9.70331102
  H     21.27078930     10.94050923    -10.12768587
  H     18.20330172     12.63760590     -8.88788137
  O     16.93762260      8.08685233    -13.68560450
  H     18.02477370      6.36752199    -10.13772491
  H     18.61397171     11.95198973     -7.57446833
  O     17.60919810     11.45814773     -6.03279625
  H     19.27398582      5.76172793    -10.82161054
  H     16.58637598      7.50554762     -5.98858086
  O     15.46115310     10.08946941    -14.87145750
  H     11.45978890      6.58138718    -11.01499378
  H     15.04648344      7.54440432     -6.01048245
  O     16.01554783      8.81816471     -8.71739153
  H     12.48526277      6.67958961     -9.86027890
  H     15.37260404      6.79051337    -11.20363810
  O     18.94101991     12.19685165     -8.44829788
  H     14.47443253     11.80833989     -7.50737715
  H     13.91909604      7.03461484    -11.63724880
  O     15.79962923      6.96443962     -5.83563044
  H     15.65100067     12.58893232     -8.14337172
  H     19.69808028      7.57212879     -8.94500539
  O     14.83596544      7.16529612    -11.91483294
  H     12.31300581      8.90278853    -10.37080444
  H     20.20588713      9.01890256     -8.82836461
  O     19.95051789      8.24925084     -8.30556819
  H     13.07302468     10.04822839    -11.04048784
  H     17.84068891      9.65496490     -6.33710623
  O     17.83197172      8.73738723     -6.63723518
  H     12.67091821     10.66103251     -8.76464562
  H     18.64983004      8.56435490     -7.12704388
          69
 Energy    -248.39092818064353     
  O     15.52174494     11.83619417    -12.52211507
  H     16.21499932     11.36757335    -12.04285509
  H     11.66940545     11.36635972    -11.84328182
  O     16.67336725      8.72902320     -7.55584769
  H     14.99089822     12.27197878    -11.84343414
  H     15.65837140      8.40053373    -14.02810985
  O     14.30868338      4.92395812     -9.74711479
  H     16.25095277      9.55568977     -7.82105135
  H     14.86844105      9.19665929    -15.06463959
  O     18.57061205      6.06912670    -10.68307565
  H     17.44960238      8.63303574     -8.11931452
  H     18.77976230      7.63569031     -9.85873060
  O     17.13410002     10.29726619    -10.71294635
  H     14.27336692      4.12715463     -9.22551048
  H     19.77460791      8.55938122     -9.12007154
  O     14.00232144     12.91567047    -10.36465463
  H     14.42472857      5.66519601     -9.12177264
  H     15.34852193      7.49408736     -7.84980388
  O      9.94644491      7.88792306    -11.23184466
  H     19.17363943      5.36795210    -10.91883816
  H     13.88190075      7.69347226     -8.26920574
  O     15.16550862     10.85299485     -8.81535243
  H     17.72091994      5.82964768    -11.08385198
  H     11.44616169      9.60885046    -13.69075770
  O     13.38838540      8.62549156    -11.52150904
  H     17.84259426      9.79674750    -10.29003137
  H     12.69802736     10.53147833    -13.91635545
  O     12.17596269      6.18607218    -11.11296055
  H     16.46759096     10.47294239    -10.03157040
  H     12.96690743      5.85713921    -14.13142278
  O     14.85550488      5.70955676    -14.39959447
  H     13.12470169     12.53921454    -10.55892629
  H     12.03073194      5.88368411    -12.91504633
  O     11.61482712     11.82110314    -10.99121149
  H     13.86863595     13.84225032    -10.18419826
  H     11.01351498      7.35511361    -14.10275538
  O     15.26857297      8.33462197    -14.91467398
  H     10.58808906      7.18381568    -11.06408357
  H      9.75661092      7.97260670    -14.75787176
  O     18.87242357      8.50008219     -9.42471109
  H      9.96470397      8.02850371    -12.18476604
  H     10.09447128      9.17207995    -10.05147405
  O     14.55327566      7.01540300     -8.11995561
  H     14.83598230     11.65813323     -9.23386035
  H      9.45345131      9.94964106     -8.88008309
  O     12.00285149     10.28964065    -13.29064525
  H     14.39247669     10.27475852     -8.73829405
  H     15.44187293      5.33005592    -11.12408111
  O     12.04415954      5.97031047    -13.87920432
  H     14.30559447      8.57756647    -11.81833070
  H     15.64190187      5.53096476    -12.66377653
  O     10.42840774      8.13398950    -14.10095539
  H     12.91387800      9.21785929    -12.11728996
  H     14.74538898     11.31105393    -13.99406533
  O     10.25085654      9.87634650     -9.39731924
  H     12.62126514      7.03454513    -11.27307314
  H     14.37720328     11.69421667    -15.44467324
  O     16.07367191      5.60453974    -11.80315132
  H     12.79286914      5.65097707    -10.60307560
  H     13.13587452      9.01230768     -9.81601047
  O     14.25243082     11.01911476    -14.78287360
  H     14.97553895      6.63988146    -14.66463873
  H     12.01508337      9.42950126     -8.84705149
  O     12.94497530      9.18195815     -8.87923692
  H     15.14495167      5.17883631    -15.13788665
  H     16.48615709      8.97243844    -11.71661456
  O     16.02046724      8.35262329    -12.29182948
  H     11.10644243     11.24139525    -10.41232311
  H     16.16152778      7.45061481    -11.98028984
          69
 Energy    -248.39091874350967     
  O     18.97372572     17.34711458    -14.85199962
  H     18.09278879     17.05400838    -14.57655750
  H     18.36473197     13.33687319    -17.44667341
  O     20.20936388     10.95468895    -14.22386035
  H     19.22353073     18.03739930    -14.22464112
  H     14.06352982     13.34173949    -10.97555033
  O     16.61801345     15.76163302    -11.34830084
  H     19.39218943     10.56132680    -13.89789513
  H     14.69803989     13.42796006    -12.38419559
  O     14.39317773     15.53886977    -15.76095808
  H     20.33880703     11.76279886    -13.70640547
  H     20.42734131     16.21641707    -14.40255297
  O     17.23195491     11.93455277    -11.31972878
  H     16.56253064     16.03804713    -12.27440566
  H     21.43491002     15.18388531    -14.97794524
  O     14.46996643     13.22150488    -14.08679955
  H     15.95729088     15.06532679    -11.24590139
  H     18.10311990     14.73459360    -10.92160631
  O     20.70265400     11.44884078    -16.81670856
  H     14.93914832     15.22794972    -16.50381499
  H     19.46165054     14.75792824    -10.18490642
  O     21.37033600     14.24146053    -16.53271932
  H     13.64418659     15.99095231    -16.14046715
  H     17.05514034     11.78418872    -16.08219892
  O     18.38585308     17.78172440    -10.44303016
  H     17.87650019     12.56447153    -10.97556262
  H     16.89811682     11.04243454    -14.70400250
  O     20.22410920     13.39049676    -12.91877982
  H     16.38855548     12.40395803    -11.32114282
  H     21.40188542     16.83839537    -11.16611863
  O     16.10198497     14.66641774    -17.70037358
  H     14.34632986     13.98873350    -14.65737958
  H     21.68497997     16.66968201    -12.68469394
  O     18.14922328     12.39886315    -17.46955987
  H     15.06876948     12.62514247    -14.55606904
  H     20.46802142     18.48202647    -12.43035186
  O     14.87792679     13.53463940    -11.43257785
  H     20.55609340     11.22601550    -15.87900489
  H     19.98403762     19.93123586    -12.67624359
  O     21.18103776     15.65681406    -14.17190449
  H     21.30794235     10.79936155    -17.16390262
  H     20.73189564     16.44881642     -8.70534973
  O     18.85293099     14.18037614    -10.66187163
  H     20.53117179     14.62679546    -16.81224711
  H     19.71167232     16.83732938     -9.80443689
  O     16.51070681     11.71012633    -15.28627649
  H     21.26192068     13.28849088    -16.63518688
  H     17.52099796     10.74713904    -12.54938817
  O     21.67253005     17.31200132    -11.96149265
  H     18.66667799     18.25412677    -11.23581499
  H     17.44884881      9.25281636    -12.94248179
  O     19.70433461     19.02003031    -12.70918585
  H     17.66747720     17.19005409    -10.70354992
  H     17.44573630     13.14540638    -14.64038758
  O     20.44208190     16.22892715     -9.58679805
  H     19.82598005     13.64185376    -12.07467721
  H     18.72058406     13.67386925    -13.89963289
  O     17.65783708     10.11899186    -13.28195807
  H     20.65461368     14.17475555    -13.28696988
  H     18.84612054     16.13760819    -16.38721549
  O     17.96161551     13.93399403    -14.43549275
  H     16.29628971     13.74781516    -17.89967094
  H     18.47945890     14.71643103    -15.94976683
  O     18.68351028     15.25227780    -16.73573289
  H     16.95667938     15.06276218    -17.47925913
  H     17.00341064     15.36684742    -14.13237546
  O     16.54761874     16.22325469    -14.06351597
  H     19.00049265     11.95562427    -17.34201901
  H     15.74859636     16.14698660    -14.59673434
          69
 Energy    -248.39091488399970     
  O     10.41690827      9.23145958    -12.27751493
  H     11.09837122      9.68841167    -12.78565320
  H     15.33289693      4.56852800    -16.90726264
  O     14.15338209      6.17179586    -14.32816272
  H     10.13530749      8.48716800    -12.82427357
  H     17.22696608      6.16357973    -16.13635538
  O     17.03567135     10.84730127    -11.43345730
  H     13.37092418      6.64075515    -14.64784654
  H     18.09468822      6.34876240    -14.86978004
  O     15.65323743     10.02599973    -17.42592124
  H     14.79841992      6.86303654    -14.10351174
  H     15.46505222      8.80247639    -13.08082818
  O     12.13121342      7.81018944    -15.25502342
  H     17.46074051     10.33366204    -10.73476805
  H     16.36957580      8.61472355    -14.34435083
  O     16.39838600      7.22292039     -9.36491144
  H     17.65255119     10.83780413    -12.17562779
  H     10.50700724      8.38498003     -9.20397682
  O     13.93271503      5.40460836    -11.69779581
  H     15.63450343     10.40715229    -18.29989034
  H     10.82086848      8.57594856    -10.70829945
  O     14.54738043      9.93864997    -12.00586043
  H     15.04461171      9.26824028    -17.45307650
  H     19.26546847      8.54030573    -11.09067553
  O     14.02142752      7.82954426    -17.40826575
  H     12.30885685      8.65170137    -14.81255216
  H     19.48598105      9.03748267    -12.52838247
  O     16.62394907      4.87730927    -11.02219855
  H     11.32753839      7.45051199    -14.85793445
  H     11.05982262      6.41132819    -10.87209188
  O     17.53295632      9.29846319    -15.56933989
  H     15.49462066      7.50465022     -9.55808144
  H     12.05950762      5.45482219    -11.55341616
  O     15.50106938      5.45822377    -16.60597084
  H     16.52070854      6.38716532     -9.82955302
  H     18.44858525     10.14159243    -14.33043169
  O     18.01446441      6.60636773    -15.79683438
  H     13.98830501      5.58027537    -12.64901349
  H     19.51970280     11.18253264    -13.93906874
  O     15.86914048      8.14807434    -13.66220493
  H     14.80244276      5.08995986    -11.42307823
  H     17.14227428      6.99756010    -13.11247276
  O     11.07917598      8.08762073     -9.90587655
  H     15.38052490     10.36017062    -11.74351343
  H     18.58741315      6.94338262    -12.57216375
  O     19.60817131      8.27207206    -11.95307540
  H     14.31234403      9.27275831    -11.34451317
  H     17.63159925      8.43434479     -9.45615154
  O     11.13246533      5.72663262    -11.54854288
  H     13.29323291      7.81324248    -16.77459411
  H     18.65511317      9.30761208     -8.69468382
  O     18.91127824     10.54399091    -13.57578490
  H     14.52670145      7.02071714    -17.26568747
  H     12.91909886      7.97832996    -10.05072820
  O     17.86931391      6.38897821    -12.91386249
  H     17.11878622      4.08852274    -10.81633024
  H     13.85588546      7.02330450    -10.83309747
  O     18.30886109      9.12566983     -9.56404363
  H     17.11834408      5.34595672    -11.71747544
  H     12.70720996     11.04030828    -14.33580764
  O     13.83359160      7.85112452    -10.33163571
  H     16.92704137      9.60901470    -16.25675871
  H     13.28993393     10.17656608    -13.19554683
  O     12.57513942     10.22782592    -13.85305908
  H     17.79969080      8.38944908    -15.77673257
  H     10.38638488      6.34780722    -13.00008248
  O      9.98414674      6.81385240    -13.75522590
  H     15.01683940      5.56741183    -15.77025914
  H      9.17475250      6.35498384    -13.96305063
          69
 Energy    -248.39088817406758     
  O     20.04874329      7.85836591    -11.17579870
  H     19.22121805      8.13130502    -10.75930553
  H     18.17109585     12.17406945    -14.84850072
  O     17.32340715     10.97725648    -11.71262953
  H     19.85260718      7.03446875    -11.63929540
  H     12.89152904      7.94649640    -14.51288207
  O     12.82533780      8.10320819    -12.78678148
  H     17.96034894     10.94598358    -12.43986366
  H     12.49388862      7.37587022    -15.89580843
  O     16.72253577      6.57000065    -12.29870246
  H     17.43741953     10.17632818    -11.18202827
  H     15.81340963     10.44916967    -12.45488212
  O     14.22871494      6.57854889    -10.93833607
  H     13.36258286      8.89274129    -12.66941608
  H     14.54508422     10.88863596    -13.24800982
  O     19.31256817      5.69511254    -12.92199099
  H     13.18098351      7.47213277    -12.14339030
  H     13.58544102      9.75936042    -15.93499293
  O     13.64753088     12.34703619    -13.86553882
  H     17.56448790      6.15450544    -12.52166972
  H     13.67311308     11.22751088    -15.43578257
  O     17.92153020      9.00271624    -15.77469085
  H     16.38475274      6.98388691    -13.10524481
  H     14.62459055      9.13518167     -9.20128985
  O     17.40360705      8.51907549    -10.42585839
  H     15.07366897      6.40379186    -11.37320838
  H     14.85274102      8.34460662     -7.89067042
  O     16.42755761     10.90062467    -17.23130406
  H     14.44596189      7.08350238    -10.14651910
  H     20.86262841      8.88109684    -12.32702992
  O     20.08290519      7.44338378    -14.84925196
  H     19.58318801      6.25709273    -13.67012979
  H     22.15146171      9.57932357    -12.82572269
  O     17.56674752     12.72151366    -15.36611498
  H     19.71093469      4.84012249    -13.05994030
  H     16.42557465     13.71115949    -14.57458899
  O     13.11248482      7.95705863    -15.46271213
  H     14.31933182     13.02308960    -14.03586322
  H     15.77575678     15.10902185    -14.44457497
  O     14.96818603     10.13748124    -12.81153291
  H     13.27906496     12.55530144    -12.99737471
  H     15.95746495     13.76122751    -12.27695131
  O     13.95408600     10.62779483    -16.13734720
  H     17.51922166      9.60841455    -16.40863869
  H     16.45956724     12.61526807    -11.37061956
  O     15.09574516      8.37668983     -8.81185547
  H     17.18118086      8.56954817    -15.32393059
  H     14.18139579     13.18014412    -11.11940339
  O     21.25060789      9.38291536    -13.06689714
  H     16.72220450      8.47991542     -9.74387053
  H     12.80849756     13.74121073    -10.67496170
  O     15.73043651     14.21589753    -14.11469637
  H     17.15761466      7.85648061    -11.08887813
  H     18.62686606     10.14425055    -14.53805878
  O     15.89359893     13.39845709    -11.38436096
  H     16.31477238     11.05451219    -18.16563109
  H     19.84566000     10.43426361    -13.62581892
  O     13.22239332     13.00117144    -11.11071302
  H     15.53516137     10.79468853    -16.85592196
  H     14.32853330     10.22329964    -11.04638871
  O     18.99439508     10.78647909    -13.91356717
  H     20.59629833      8.10707712    -14.37217783
  H     13.53634238     11.27077871    -10.28453962
  O     13.93574697     10.40058737    -10.18241121
  H     19.38584720      7.92460964    -15.31447014
  H     15.50311530      8.77314442    -13.88030059
  O     15.73561697      8.02170679    -14.44685440
  H     17.20991592     12.15318401    -16.05995069
  H     14.92747443      7.80548038    -14.92632356
          69
 Energy    -248.39037212473818     
  O      2.12806598      0.51865410      4.26079374
  H      1.59276060     -0.15657040      4.71734552
  H     -5.33427605     -1.40541514      5.84017205
  O     -0.71004958      0.71722573     -2.94617940
  H      2.90155287      0.65884591      4.80100437
  H     -1.64033878      3.54857070      1.49019400
  O      0.59014029     -1.31099471      5.53824391
  H     -0.62443378     -0.24248460     -2.87304179
  H     -2.35866869      2.40744854      0.73661781
  O     -1.76026803      1.08164095     -0.41823143
  H      0.19333711      1.05376438     -2.91776929
  H     -2.78761805     -0.65903730      6.05411485
  O     -0.20673121     -2.04046358     -2.30200607
  H      0.35887392     -2.16871582      5.16239100
  H     -2.08483242      0.72954677      6.03115655
  O      2.13010607     -1.13485789     -1.20448313
  H     -0.23115247     -0.95079842      5.90152446
  H      0.54110277      3.30962411      1.10447925
  O     -4.24224093      2.89200939      3.44559023
  H     -1.92316704      0.15692642     -0.18914808
  H      0.65657607      4.83787064      1.34261091
  O     -2.97509645     -3.34542780      4.03616800
  H     -1.54596464      1.08719237     -1.36300119
  H     -1.06158566      0.95122717      3.30331328
  O      0.00753948      2.38176166      3.91521846
  H     -0.04029885     -2.79432856     -2.86181166
  H     -1.60573272     -0.15022775      4.22574523
  O      1.97825005      1.52739992     -2.25007826
  H      0.64362413     -1.80093735     -1.89334133
  H     -1.42588436     -1.90184750     -0.88507820
  O     -4.26974365      0.10596031      3.14277223
  H      2.22665930     -0.95714268     -0.26121207
  H     -1.28170395     -1.88708753      0.65527376
  O     -4.44958704     -1.35764581      5.48758260
  H      2.23431238     -0.28257318     -1.64662914
  H      2.17084648     -0.04053647      2.45023111
  O     -2.48737672      3.10012107      1.39911604
  H     -4.86920612      3.60806834      3.39050834
  H      1.23143456     -0.98947973      1.68588962
  O     -1.92525418     -0.22743744      6.05778639
  H     -3.63041837      2.99903029      2.69425313
  H     -2.99392406      2.63880104      4.92457697
  O      0.24349330      4.04365855      1.66991121
  H     -3.32497944     -3.12555478      3.15972812
  H     -1.46238959      2.57365123      5.07595041
  O     -1.49995816      0.09169548      3.29391203
  H     -3.49151239     -2.82149136      4.65706213
  H     -0.08144194      1.52968107      0.03160613
  O     -1.89435238     -1.68900701     -0.06894980
  H      0.17863506      3.02778602      3.21966643
  H      1.24247123      1.08792736      0.73182319
  O      1.94150015     -0.33988464      1.56241875
  H      0.80376313      1.85007949      4.04041682
  H     -1.29547318     -3.61721357      4.21186532
  O     -2.29176265      2.45355593      5.55935288
  H      1.62099032      1.74542354     -1.37260380
  H     -0.13698395     -4.62064102      4.42962389
  O      0.82325500      1.80829433      0.24037088
  H      2.58881261      2.22201102     -2.48270989
  H     -0.67341486     -1.23931224      2.50948380
  O     -0.32410810     -3.70390555      4.24931917
  H     -3.30360720      0.06354610      3.07031792
  H     -0.14622440     -2.68113224      2.71797996
  O     -0.19330364     -1.96427838      2.07508370
  H     -4.47017725      1.04570847      3.22702049
  H     -4.30284171     -1.48664269      2.01470893
  O     -4.02785583     -2.34493874      1.67005196
  H     -4.50055680     -0.83399567      4.66984589
  H     -3.40172738     -2.15867571      0.95841170
          69
 Energy    -248.39000835541580     
  O     14.35562015     12.27156808    -12.70694130
  H     13.73821630     12.98916621    -12.59090123
  H     18.23766366      4.62662448    -16.29895962
  O     14.46111040      6.96963893    -13.59138354
  H     14.07595164     11.78785653    -13.50333310
  H     17.17099803     11.86959313    -15.64097819
  O     18.76480616      7.30709586    -12.36770628
  H     15.01916748      7.69406005    -13.91783206
  H     16.36990759     11.55615647    -16.93675314
  O     18.80890121      9.35471886    -16.89257213
  H     14.04725521      7.29096804    -12.77953205
  H     15.29626371      9.72417259    -14.84944995
  O     12.58643257      8.31687857    -15.24006121
  H     18.06247349      6.70556487    -12.65492764
  H     16.14943047      8.59489650    -15.51814379
  O     16.24388620      8.50596367     -9.02008033
  H     18.82077711      7.21602075    -11.40839987
  H     17.22020386      5.66199578    -10.12112524
  O     13.36190363      8.17740926    -11.31924001
  H     18.28097520     10.15845973    -16.73524966
  H     16.56680875      5.11994751    -11.40929017
  O     17.58689607      9.79908617    -12.69303894
  H     19.49242169      9.59937557    -17.51116740
  H     10.33245363      8.66323097    -12.44404501
  O     14.05815309      8.72131142    -17.69204011
  H     13.19836016      7.69712347    -14.82073905
  H     11.85970580      8.57959699    -12.29041293
  O     14.30312178      6.40727462     -9.37108389
  H     11.90714546      8.47696913    -14.56851389
  H     19.46892833      7.39813054    -14.13263105
  O     16.59028900      7.65269574    -17.02259178
  H     15.53578141      7.85089149     -8.99238625
  H     19.38720527      8.07797951    -15.53525472
  O     17.82011644      5.36589182    -15.86494883
  H     15.94098714      9.19406626     -9.62637955
  H     15.89591034      5.92670488    -13.35052942
  O     17.24566899     11.51415273    -16.53900465
  H     14.01442963      8.89030166    -11.25807328
  H     17.08462347      5.30095616    -14.11814264
  O     15.91389868      9.00366179    -14.67600108
  H     13.56763421      7.54599200    -10.61782566
  H     19.06118095      7.04044553     -8.84611343
  O     16.45939761      5.16758093    -10.45030282
  H     18.11798282      9.02029660    -12.49076302
  H     17.72690409      7.63030427     -9.36027053
  O     11.14961688      8.76546787    -12.92526060
  H     17.03906499      9.54212505    -13.45286856
  H     14.38190804     10.42944880    -17.74235868
  O     19.58439540      7.25037539    -15.08036062
  H     14.88207162      8.23201623    -17.56426406
  H     14.21882467     11.84200382    -18.35615563
  O     16.76107680      5.50640957    -13.23354128
  H     13.46562461      8.47247179    -16.97159612
  H     16.15506857      9.99668369    -11.61050998
  O     18.46565305      7.03892682     -9.59056528
  H     13.90267869      5.84010811     -8.71781501
  H     14.94303522     10.94605196    -11.52281594
  O     14.56253418     11.37663464    -17.59859734
  H     15.02822934      5.89845055     -9.77685292
  H     16.17336489     12.45809492    -13.45482297
  O     15.32469494     10.14916836    -11.13523816
  H     17.38014056      8.20012303    -17.13928569
  H     17.41028162     11.55200936    -13.39465443
  O     17.02197736     12.29314053    -13.87934386
  H     16.89213231      6.79241243    -16.70532844
  H     13.97234175     11.17547026    -15.86830083
  O     13.78510697     10.85498404    -14.97588712
  H     18.53050831      5.98389726    -15.60913149
  H     13.27033727     10.04052561    -15.05909179
          69
 Energy    -248.38995762734234     
  O     16.09510571      5.19199653    -16.41263994
  H     15.16114389      5.02154648    -16.23842875
  H     16.68188350     11.67378841    -14.09368499
  O     18.29438719      6.24147742     -9.78920352
  H     16.19520351      6.15018475    -16.33725758
  H     15.52491434     11.01227795    -17.53966323
  O     14.46978384     11.51204580    -10.07563647
  H     18.32974722      5.97955691    -10.71785611
  H     16.20847331     10.95752508    -16.15032878
  O     19.48202370     10.27934260    -13.79107003
  H     18.22975430      7.20513384     -9.76420451
  H     15.93587612      9.58670177    -12.27917922
  O     17.48954010      3.65017847    -14.66212118
  H     14.82287486     10.92816410     -9.38877812
  H     16.80741858      8.37166104    -12.70754635
  O     16.12880399      5.12993037     -8.61445234
  H     13.56184009     11.68136254     -9.83233938
  H     13.84913266      4.25221590    -14.74839997
  O     14.03163586      7.02620544    -11.62874267
  H     20.40421763     10.51231008    -13.85675892
  H     12.68769226      4.33493746    -15.76662026
  O     18.34270755     11.16318036    -11.49419928
  H     19.16840999     10.60812943    -12.92908985
  H     15.02948340      8.87920457     -8.34785414
  O     14.37714659      7.36478470     -8.82520033
  H     17.06237996      4.21184414    -15.33402681
  H     15.43831261      9.82143578     -7.18701265
  O     16.05387183      7.91714657    -15.77762511
  H     18.05086482      3.03937555    -15.13215346
  H     15.63321065      4.67337690    -10.37472551
  O     17.91222013      5.45568596    -12.52809108
  H     16.95229025      5.51806836     -8.96372947
  H     16.32200072      4.98361238    -11.72892758
  O     17.21086696     11.61589470    -14.89995824
  H     16.37853818      4.53453346     -7.91338913
  H     15.13694995     11.50905668    -11.72719654
  O     15.57440119     10.50379538    -16.73533939
  H     14.42609529      6.14500980    -11.56024085
  H     14.87083522     11.05342404    -13.20354168
  O     16.15957921      8.67391841    -12.05784718
  H     14.77555074      7.64133869    -11.73755912
  H     17.11731573      8.82489747    -10.56541452
  O     13.42614567      4.82431589    -15.41414785
  H     17.44858460     11.42830031    -11.73345633
  H     17.04687208      9.28498638     -9.09730634
  O     15.46254807      9.72680362     -8.13538147
  H     18.24585795     10.49356602    -10.80324972
  H     13.69412242      7.28525957    -13.40952475
  O     15.49290930      4.68123674    -11.32863602
  H     14.07470220      7.28879665     -9.73891066
  H     13.47159925      6.58466113    -14.76997192
  O     15.55870583     11.35260757    -12.58498008
  H     14.92635458      6.58752943     -8.66197621
  H     14.91589179      3.67558878    -12.76045485
  O     17.66512769      9.01460721     -9.78641725
  H     15.92692443      8.75769541    -16.23372242
  H     15.71711829      3.23913242    -13.99245938
  O     13.67705591      7.43667804    -14.36492393
  H     15.25747902      7.76475975    -15.24731274
  H     14.27574536     10.41944386    -15.29413534
  O     14.81802530      3.30468017    -13.64826072
  H     18.03673501      6.28804940    -13.00572062
  H     13.62629336      9.35458883    -14.39462293
  O     13.85047017     10.29284726    -14.43709942
  H     17.88336455      4.76693024    -13.20475335
  H     18.62686569      8.63571589    -13.93470521
  O     18.05573201      7.85882126    -13.89771010
  H     18.04708212     11.21166092    -14.64067781
  H     17.43963568      7.89507673    -14.64483556
          69
 Energy    -248.38992808729631     
  O     13.65903655      4.28085562    -16.02963043
  H     13.79427075      4.19322935    -15.07798396
  H     17.31600231      7.64812979    -16.52736882
  O     18.06870034      6.46742062    -12.13573759
  H     13.44638010      5.21526900    -16.16939508
  H     16.56601409      5.98461698    -15.52242845
  O     16.03971758      6.59761463    -18.83987329
  H     17.43799997      7.16161052    -12.37609532
  H     15.24764890      6.83334064    -15.69356274
  O     14.47869768      5.72037595     -9.86558457
  H     18.89651288      6.67741038    -12.58674558
  H     11.30465736      8.26615348    -13.66538301
  O     14.26765726      4.43117403    -13.26983157
  H     15.93962404      5.68886870    -18.53205976
  H     12.69826576      7.71338324    -13.32088237
  O     16.22802856      8.28549405    -13.09931572
  H     16.84463127      6.94260143    -18.43605584
  H     16.95543925      3.60121947    -10.26839882
  O     17.56786974      4.46247216    -15.85064786
  H     15.43066118      5.66613937     -9.71588099
  H     15.73621176      2.76345434    -10.69559963
  O     13.84771642      3.10721526    -10.87988602
  H     14.19008597      4.81631359    -10.04251290
  H     12.97309619      7.45809209    -15.51234986
  O     19.14525628      9.38254367    -14.92586809
  H     14.10225319      5.34228773    -12.99089524
  H     13.56954972      7.62054358    -16.95867852
  O     15.64720447      3.91309036    -17.80345520
  H     15.22834366      4.31422433    -13.29292283
  H     21.18749457      7.47657379    -13.42104372
  O     19.80204631      6.07546121    -16.25993255
  H     16.21920732      7.75981457    -13.91748581
  H     19.90661449      8.08152364    -14.04155739
  O     18.00596157      7.92210616    -17.15469800
  H     16.32424998      9.20176234    -13.38117755
  H     17.42459049      4.89008732    -12.88635018
  O     16.16464080      6.85221700    -15.38768588
  H     17.38260319      4.09677603    -14.97391276
  H     17.00138356      3.47269019    -12.42171584
  O     12.15211321      8.05496664    -14.04788719
  H     16.95677283      4.08890982    -16.49764484
  H     17.65192784      5.81707918    -10.51403473
  O     16.69798607      2.81425449    -10.76594783
  H     13.89486354      3.49553917    -11.76982939
  H     17.92099258      5.68242856     -8.99893632
  O     13.50411527      7.02992927    -16.19948084
  H     13.09250742      2.52499104    -10.87404541
  H     14.80918404      7.83285182    -18.68115834
  O     20.27929151      7.27809833    -13.63536737
  H     18.40116970      9.93152340    -14.65297359
  H     13.73857780      8.78176799    -19.27235736
  O     17.03385466      4.05987196    -13.19056171
  H     18.88144819      8.99337631    -15.76829449
  H     14.71247546      7.54182333    -12.44202311
  O     17.32606343      5.41134525     -9.69381306
  H     15.47708581      3.16868207    -18.37433153
  H     14.05699093      6.66768525    -11.32529367
  O     14.17401159      8.53853390    -18.45987895
  H     14.88910136      3.98225738    -17.19453185
  H     16.39671852     10.53632661    -15.33772446
  O     13.92713888      7.02417742    -12.21609537
  H     20.06151941      6.35197614    -15.37425924
  H     16.49207287     11.65809411    -14.27894203
  O     16.66340435     10.73110129    -14.42155700
  H     19.11658870      5.40168937    -16.13674070
  H     15.37936434      9.67313517    -17.46960267
  O     16.14322611     10.04453174    -17.01334276
  H     18.74443625      7.30945572    -17.01475027
  H     16.88325639      9.47201892    -17.25382849
          69
 Energy    -248.38976319209601     
  O     13.53911284     13.37926049    -17.74039913
  H     14.29781346     12.79052879    -17.88793085
  H     14.82111289      9.04069241    -16.33457884
  O     18.07782602      6.92748977    -14.50324066
  H     13.11173708     13.49732898    -18.58502130
  H     18.13110192      8.04015249    -15.92402948
  O     14.10984868     11.62113979    -12.07566588
  H     18.59321060      6.44085587    -13.86533063
  H     18.63659622      9.43580176    -16.36058957
  O     17.65706847     15.29797935    -16.18280105
  H     17.24489583      7.15397603    -14.05965054
  H     15.73448751      8.28505523    -18.65781458
  O     15.69463099      7.79069339    -13.40767824
  H     13.74166566     11.43495173    -11.20308663
  H     16.63038278      8.83546319    -17.52000001
  O     13.07836684     10.61124937     -9.67652819
  H     13.55110639     11.15723872    -12.71596421
  H     17.52185020     14.76764838    -14.32827997
  O     15.16142543      8.86050625     -9.80669230
  H     16.68467167     15.32790954    -16.22456159
  H     17.66620600     13.54461395    -13.40134804
  O     15.76848847     11.74279375    -15.09727172
  H     17.96713665     16.16958388    -16.41538623
  H     12.95467282     13.35707758    -14.60981505
  O     12.46123998     10.35632855    -13.95881255
  H     15.02991689      7.42294174    -12.81207059
  H     12.66837528     12.97438479    -16.07300764
  O     16.50831161     10.08455287    -12.02657105
  H     15.23803342      8.22386014    -14.14349225
  H     13.44016789      6.11242818    -11.29320202
  O     18.10893437     11.75350425    -13.57582944
  H     12.86894622     10.90734298     -8.79522906
  H     13.08437509      7.58999635    -11.58530480
  O     14.55798779      9.28008488    -15.43865223
  H     13.82684607      9.99263336     -9.59866711
  H     15.50006165     14.15802971    -13.45781645
  O     18.06829535      8.70411024    -16.62526759
  H     14.78948829      8.10703993    -10.28233145
  H     14.38477892     13.20483621    -12.93961279
  O     15.77093942      8.94455931    -17.97124242
  H     15.79712560      9.26482954    -10.41096107
  H     17.53491607     12.47912134    -17.67749959
  O     17.24875083     14.41461952    -13.47317224
  H     15.26707038     12.46064713    -14.69548964
  H     18.17663768     13.66650000    -16.92740384
  O     12.37488090     12.82426993    -15.16622193
  H     16.62337277     11.72698483    -14.64810075
  H     15.80985255     11.80601938    -16.86675846
  O     13.82254294      6.95860187    -11.50879373
  H     12.26834275     11.19042390    -14.41235010
  H     15.74193863     10.81671950    -18.05232152
  O     14.58152092     13.87726255    -13.60776125
  H     13.05952024      9.86215026    -14.53473759
  H     11.93899747      9.36194234    -12.48534623
  O     18.36127344     12.78991193    -17.28894289
  H     16.29623733      9.28332749    -12.52611658
  H     12.11443038      9.49282551    -10.95284881
  O     15.75650705     11.75730393    -17.83596570
  H     15.73065864     10.65929594    -12.07335792
  H     14.42187050     14.71373589    -16.72792791
  O     11.91041685      8.86446748    -11.65591580
  H     18.72470262     11.34242453    -14.19477340
  H     14.70530815     14.93848790    -15.22839001
  O     14.94109178     15.24521587    -16.11229142
  H     17.75018944     11.08494864    -12.97583973
  H     19.22535321     11.61603830    -16.35145720
  O     19.63100500     10.92903229    -15.79114121
  H     14.97943710     10.13551445    -15.25970670
  H     20.57100847     10.96664903    -15.94716880
          69
 Energy    -248.38957165396505     
  O     -3.09085817      0.68141394      2.10181456
  H     -3.86194471      0.49368220      2.64774411
  H      0.39879734     -5.72763144      1.16113589
  O     -4.07460838     -1.14108249      6.06579531
  H     -2.32855983      0.59954525      2.69201978
  H      2.31027532     -0.42201889      3.48755121
  O     -0.78438714      0.04950101      3.57467032
  H     -4.40061732     -2.04817446      6.02448929
  H      2.48945057     -1.88360469      3.05676901
  O      1.34817817     -2.51640307      5.94151093
  H     -3.11062973     -1.20339656      6.10219735
  H     -1.22735712     -2.92776701      1.97027878
  O     -4.81953964     -3.85991479      5.46318967
  H      0.00664109      0.55316326      3.35044391
  H     -0.97258510     -1.60317752      1.19156788
  O     -1.30382264     -1.53527184      5.73982979
  H     -0.72672601     -0.77449357      3.06376773
  H     -3.17912303     -4.20285606      1.69977678
  O      0.35282457     -4.99554059      4.88273148
  H      1.78083403     -2.05440303      5.20153558
  H     -2.38583427     -4.30288766      3.04911348
  O     -5.57423402     -2.62221717      3.00535398
  H      1.95505171     -2.47964500      6.67644465
  H      2.14888690     -2.67560852      0.68812017
  O     -1.73129285     -0.41141031      0.00854178
  H     -3.88192427     -4.04263544      5.27677604
  H      1.03781308     -2.64668900      1.75547516
  O      1.81281804     -5.49093350      2.47358214
  H     -5.12957991     -4.56280999      6.02801908
  H     -5.32828859     -4.43931432      0.53538767
  O     -0.34080087     -3.57030229     -1.31260987
  H     -1.16472844     -0.87551902      5.04359859
  H     -5.06954556     -3.26789907      1.51096918
  O     -0.34187667     -5.61956588      0.55456785
  H     -0.42455194     -1.86288910      5.96539464
  H      1.10258696     -2.63036332     -1.21129226
  O      2.53315784     -1.29774167      3.82455360
  H      0.84372582     -5.23301613      4.08705543
  H      2.44455965     -2.24113775     -1.87498499
  O     -0.65976525     -2.14868763      1.92670239
  H      0.78147849     -4.21020535      5.24665325
  H      1.42311656      0.84300079      1.67355899
  O     -2.31555199     -4.37960844      2.08778394
  H     -5.40965358     -3.09241025      3.83178060
  H      1.98782468      1.99245820      2.53896428
  O      1.96272125     -2.90283186      1.60650779
  H     -5.51268686     -1.68226758      3.21639284
  H      0.01208643      0.19405061     -0.03899247
  O     -4.72156294     -3.72761910      0.72500537
  H     -2.25976697     -1.04085236     -0.49390213
  H      1.37241332     -0.45060867     -0.35632261
  O      1.92857676     -2.12772081     -1.08193555
  H     -2.31059667      0.01971335      0.65775392
  H     -3.60421931     -2.51999342     -2.03851588
  O      1.62026991      1.11443878      2.58862455
  H      2.65526066     -5.93413702      2.41013804
  H     -3.67552816     -2.94168894     -0.55692050
  O      0.96548375      0.30563241      0.08222028
  H      1.95014799     -4.58147835      2.15721692
  H     -5.85918706      0.68004191      4.17390495
  O     -3.09639013     -2.55347821     -1.23044321
  H     -1.25500273     -3.27357605     -1.33289460
  H     -4.78759839     -0.30000620      4.70341401
  O     -5.21333866      0.03615257      3.89480214
  H     -0.31315941     -4.33651519     -0.71896012
  H     -1.95458006     -3.13220236      5.08607378
  O     -2.18223012     -4.03839057      4.83583020
  H     -1.07751420     -5.31336858      1.10358613
  H     -1.35261328     -4.53817993      4.87881787
          69
 Energy    -248.38945342949731     
  O     15.42670668      8.67717505    -15.89951138
  H     15.84654534      8.85565448    -16.75186805
  H     20.24403312      4.95654611    -15.87237464
  O     13.83105829      4.94344422    -17.63520233
  H     15.82974697      9.25543697    -15.24068562
  H     19.46523418      6.83167068    -17.35979960
  O     18.46929250      6.13784027    -13.19528638
  H     13.01856653      4.65864258    -18.04495933
  H     18.14932070      6.93883745    -16.56071621
  O     20.29989857      5.24159440    -17.77605685
  H     13.59253074      5.62289102    -16.97907501
  H     17.32919564      6.24589307    -14.66697229
  O     17.85709176      4.23198337    -18.31479410
  H     18.07172036      5.38554599    -12.73121898
  H     16.25718848      7.03120372    -15.50620741
  O     12.73167974      5.85900881    -10.61764029
  H     19.13727714      5.75055763    -13.78776698
  H     13.91490317      7.61654530    -15.92546911
  O     14.78208918      3.80050295    -13.51488691
  H     20.96401415      4.87852086    -18.35462435
  H     13.36680404      6.67373783    -14.85388148
  O     16.28470766      7.69840230    -12.28448729
  H     19.45541322      4.81246837    -18.00957062
  H     16.60761508      3.82196393     -8.67912602
  O     18.18889168      2.76342372    -14.62884856
  H     17.27085348      4.88706598    -18.72380172
  H     16.01343711      4.93519911     -9.57767677
  O     13.79396391      3.37227351    -10.88255810
  H     17.32260186      3.80953730    -17.63747228
  H     15.14982524      3.95657016    -16.71423174
  O     19.09694744      8.67931001    -14.46240037
  H     11.86279046      5.86862637    -10.22640570
  H     16.27667095      4.63464684    -15.91706825
  O     20.02632587      4.82574901    -14.94416755
  H     13.01164547      4.92680600    -10.66710607
  H     16.35394847      3.87370045    -12.63275396
  O     18.82345902      7.46597984    -17.01738877
  H     15.04225847      3.65781276    -14.43161129
  H     17.02890466      3.85740357    -11.24023659
  O     16.82350756      6.24930589    -15.48942004
  H     14.45757224      4.71100886    -13.45092671
  H     14.44666775      6.45685349     -9.98296219
  O     13.32132599      6.86389310    -15.79988535
  H     16.38298612      8.56444488    -12.69841706
  H     15.73957837      7.05573511    -10.57436696
  O     16.26907731      3.99550240     -9.55308199
  H     17.08630097      7.20276237    -12.49684632
  H     15.20132557      5.79625405    -18.68439129
  O     15.90086769      3.76479995    -16.13799465
  H     17.93152264      2.96453622    -13.71976122
  H     16.12448734      7.01942506    -18.91550347
  O     17.21153648      3.92178839    -12.18489587
  H     17.39692505      2.89340659    -15.16240776
  H     14.71601617      6.88606502    -12.85996306
  O     15.39338142      6.55940988     -9.82220545
  H     14.61471021      3.40684694    -10.37501333
  H     13.38909591      6.31035224    -12.29484575
  O     15.99060927      6.09634359    -19.15277183
  H     14.05521288      3.30248720    -11.81039588
  H     17.69263289      9.62462131    -14.07454831
  O     13.91073519      6.40912611    -13.10153774
  H     19.15549690      8.36192044    -15.37342628
  H     16.97960716     10.90994923    -13.58067059
  O     16.82602752     10.00641752    -13.84295398
  H     19.10976170      7.89003160    -13.90918194
  H     17.09251001      9.39125932    -19.00640865
  O     16.81891986      8.78518386    -18.32265645
  H     19.49190739      4.01755000    -14.90186760
  H     17.62769932      8.38788776    -17.95563126
          69
 Energy    -248.38933430944991     
  O     19.34015252      9.89317648     -7.34181826
  H     19.60367829     10.56898692     -6.72347340
  H     16.67475807      9.13738681     -9.14672203
  O     17.65057176      4.70875552    -10.08979222
  H     20.01789005      9.86881883     -8.04217251
  H     21.23876829      8.56999568     -9.22834091
  O     18.05240457      5.00638238    -13.89018062
  H     17.01171999      4.55513449    -10.79367198
  H     20.92829420      9.59391006    -10.31912510
  O     18.59424667      7.70532979    -13.32090160
  H     17.98686466      5.60809018    -10.23825652
  H     15.96031143      9.98352978    -13.93358489
  O     22.33684961      6.88965848    -11.85788271
  H     17.26664493      4.84322081    -13.34343503
  H     16.98294037      9.98162277    -12.77073375
  O     15.84621314      4.78303220    -12.24334738
  H     17.92796113      4.51388740    -14.69830928
  H     19.83531100      4.85472539    -13.06646640
  O     20.69327702      9.21099186    -12.21341539
  H     18.42186508      6.81090369    -13.63957501
  H     20.58678303      4.41180633    -11.79100868
  O     14.17733044      4.69915304     -8.18383806
  H     17.79381687      8.22830360    -13.45680573
  H     13.39714575      6.77260395    -11.44857079
  O     21.01896164      6.66522841     -9.36846524
  H     23.22413483      6.69598740    -12.14844275
  H     12.86611877      5.38517221    -11.05221704
  O     18.57387031      7.24522590    -10.54115525
  H     21.76376719      6.19054227    -12.22343847
  H     14.45796008      7.79627216     -8.70208861
  O     19.16681456      7.02716567     -7.09367526
  H     15.63938864      5.72068080    -12.10547893
  H     15.87029291      7.18180612     -8.50225960
  O     17.48951234      9.59116688     -9.40361173
  H     15.13136389      4.28617517    -11.82546580
  H     15.31306632      7.60472228    -10.77180896
  O     21.08927974      9.51321706     -9.37145550
  H     21.38913947      8.54718147    -12.12102404
  H     15.50277396      8.14308023    -12.22581360
  O     16.36278658      9.42369778    -13.27514843
  H     20.00890028      8.75634999    -12.72536551
  H     17.54769024      6.19542396     -7.36376057
  O     20.69095962      4.88695023    -12.62957894
  H     15.04582868      4.96971323     -7.85893688
  H     17.04373579      5.27762019     -8.49979501
  O     12.62611442      6.31963254    -11.08023930
  H     13.61768787      5.48285117     -8.12233918
  H     12.55905840      6.89970707     -9.41751079
  O     15.38705884      7.89903381     -8.93930934
  H     21.64148799      6.67223286    -10.10820126
  H     11.88676239      7.50442512     -8.15966068
  O     15.15670738      7.40849571    -11.70605778
  H     20.15448836      6.86372800     -9.76673853
  H     19.13175116     10.43936178    -11.94706707
  O     16.74925676      5.79556335     -7.73548670
  H     18.62007768      7.40780018    -11.49131401
  H     17.97184856     10.45061827    -10.92304653
  O     12.71069524      7.15855146     -8.49086869
  H     18.23062955      8.04592035    -10.12591872
  H     20.68090846      4.66637933     -9.60482526
  O     18.22242900     10.72948600    -11.81702295
  H     19.90837953      6.77868883     -7.65558869
  H     19.36787110      3.98116580    -10.00127265
  O     20.32994169      3.89304058    -10.05956286
  H     19.20163870      7.98967465     -7.03353729
  H     13.96323785      3.99618853     -9.77752235
  O     13.78040206      3.70591200    -10.68934074
  H     18.01003011      9.75571647     -8.60710035
  H     13.36446044      2.85034470    -10.62419215
          69
 Energy    -248.38932459670497     
  O     14.00344991     13.19721252    -13.66404320
  H     14.46613380     13.69037305    -14.35277674
  H     18.55981828     10.61597786    -15.29516293
  O     17.47664001      6.60178281    -13.87121612
  H     13.58343559     12.46980283    -14.14480290
  H     14.87247640      8.91355822    -19.38290602
  O     19.38715334     10.90326895    -11.73907675
  H     17.32399651      6.88549446    -14.77877362
  H     14.15693440      8.92296310    -18.01033418
  O     18.02671323     13.72466029    -14.69909865
  H     16.73757125      6.02002033    -13.65356676
  H     16.48768975     11.02457957    -12.87824096
  O     15.06804127      5.16142309    -13.26616722
  H     19.58496978     11.16179337    -12.64626167
  H     16.99521696      9.55577621    -12.63285686
  O     15.63679140     10.53747526     -9.66151738
  H     19.12182318      9.97353884    -11.76766456
  H     14.07212817     11.04711592    -15.70891533
  O     14.43598367      6.93944832    -11.33687707
  H     17.30744901     13.95199838    -15.29643188
  H     13.42033202     10.31212130    -14.50240267
  O     12.79233306      8.70312030    -16.93934504
  H     17.57999582     13.46933875    -13.87654031
  H     17.63776489      8.14169233    -11.07892763
  O     16.43996012      7.98134173     -9.65188739
  H     14.86884898      4.26243940    -13.02095519
  H     17.99388298      7.71116134    -12.54346713
  O     16.57019352      7.82877191    -16.38706113
  H     14.82753467      5.72385577    -12.50719336
  H     16.78774397     12.84608630    -11.63221137
  O     14.19106699      7.10434253    -15.09175198
  H     14.89811595     10.86896698    -10.19012542
  H     15.61881290     13.00146212    -12.69807612
  O     17.73533434     10.16707537    -15.51102679
  H     16.34368843     11.19064374     -9.72245401
  H     19.25947029     12.50301011    -14.61721592
  O     15.00714094      9.08999646    -18.45583082
  H     14.12711455      7.72619140    -11.80022938
  H     20.70616452     11.98236644    -14.80132582
  O     16.39248886     10.10376419    -13.15438029
  H     15.09844915      7.24310131    -10.70325978
  H     18.27888435     12.87460677     -9.49269938
  O     13.25277162     10.95957493    -15.20104255
  H     12.68026949      9.50618064    -16.41640674
  H     18.39772519     11.85337240    -10.65173039
  O     18.13279223      8.39352823    -11.86898706
  H     13.09636743      8.02544529    -16.31917553
  H     15.38803377     10.67637308    -17.49760513
  O     16.55824544     12.82045742    -12.56852535
  H     16.12717136      8.90467964     -9.61069769
  H     16.39041735     11.01621178    -16.37366535
  O     19.83803918     11.72722902    -14.50038223
  H     16.61648384      7.70956609     -8.75544728
  H     13.47145456     10.55183896    -11.94220006
  O     17.76546769     12.35827566    -10.10757464
  H     17.09030291      8.59808033    -16.11043725
  H     13.53829752     12.08480862    -12.01070708
  O     15.58159510     11.32353291    -16.80860424
  H     16.13709344      8.10100464    -17.20487369
  H     15.16853237     14.55181225    -16.75525900
  O     13.58136874     11.34257737    -11.39945597
  H     15.02896638      7.35169224    -15.51035626
  H     15.49525391     13.08545035    -16.40396078
  O     15.48258741     13.99021231    -16.05029892
  H     14.37351930      6.31886326    -14.56164747
  H     13.90340790      8.36928912    -13.82201210
  O     13.89085562      9.09607360    -13.18294055
  H     17.23725796     10.10994509    -14.67970545
  H     14.79794449      9.44627210    -13.14289744
          69
 Energy    -248.38927613215080     
  O     -0.73768472      1.55999654     -2.51764061
  H     -0.32217136      2.42699313     -2.39977204
  H     -1.57089729      0.32465308      2.99473978
  O      0.69799951      3.85363193     -1.89211513
  H     -0.03460229      0.91825028     -2.37021812
  H      0.09708240     -1.07180491      2.49496488
  O      4.23650887     -0.37170960      1.87512131
  H      1.59469325      3.49898013     -1.89876358
  H      0.51983553      0.37399312      2.15732842
  O      1.13455874      1.43103851      0.88382011
  H      0.46891433      4.01575751     -0.96717355
  H      2.21561635     -1.18357657     -0.44906007
  O     -3.04150134      1.25102625     -1.18877463
  H      3.56083936     -0.86819868      1.38024068
  H      1.55333494     -2.03329544      0.64625297
  O     -2.59746266      2.74078296      1.16028688
  H      4.99628797     -0.94542955      1.93889276
  H      3.91409191      0.67486403      3.48176742
  O      1.58833220      0.18671852     -1.57620114
  H      2.07066554      1.66461788      0.88257963
  H      3.94972776      2.18207260      3.81014074
  O     -2.36524284     -0.95265588      0.52441212
  H      0.64184220      2.25621217      0.78286189
  H     -3.03783227      3.81622199      2.65486206
  O      3.26612639      2.47517655     -1.95268690
  H     -2.22362335      1.36614844     -1.70650901
  H     -3.32921535      3.40991441      4.11414778
  O      3.88058883      2.12858478      0.70335337
  H     -3.76238385      1.25488101     -1.81249848
  H      1.04189298      3.15677585      3.82539437
  O     -0.97080311      5.30538340      4.78398299
  H     -2.83122873      2.35411497      0.30731625
  H      0.44319746      4.58720212      3.88342536
  O     -2.50175246      0.56972190      2.89151399
  H     -2.54669450      1.99622789      1.77805542
  H      0.73967619      0.88260009      4.18783984
  O      0.16566997     -0.18570370      2.86749277
  H      1.26479326      0.54880958     -0.73586543
  H      2.06891083      1.45229083      4.72969553
  O      2.40506391     -1.68713516      0.35411884
  H      2.20612828      0.84975519     -1.90871032
  H     -2.47268300      2.12859439      5.66509838
  O      3.79266586      1.31231020      4.19619527
  H     -2.58484925     -0.30453676     -0.15441078
  H     -3.91003881      1.63258708      5.95788185
  O     -3.09582901      4.16146795      3.55489824
  H     -2.58452878     -0.52338386      1.36261895
  H     -0.18817975      2.31410720      5.82954075
  O      1.07281423      4.03025502      3.40732714
  H      3.57883624      2.40112563     -1.03582805
  H     -0.89310391      3.68823840      5.88593100
  O      1.11003650      1.58026942      4.74624800
  H      4.01832836      2.73000949     -2.48117346
  H      0.27407431      4.04139787      1.71301523
  O     -3.30774499      1.84579381      5.25058861
  H      3.92306523      2.79367924      1.40294606
  H     -1.00886766      3.58507194      0.94660862
  O     -0.95165490      2.77873134      6.20098061
  H      4.13928294      1.27647219      1.08147264
  H     -0.50855431     -3.34381069      1.36473275
  O     -0.09699082      3.89209097      0.83418564
  H     -1.75034420      4.96487805      4.30807332
  H     -0.96054526     -1.94922352      0.88080822
  O     -0.20479251     -2.44855524      1.23940755
  H     -1.19546140      6.17985705      5.08926558
  H      4.21712306      4.69099059      3.11626244
  O      3.76138846      3.89334993      2.85955209
  H     -2.81794085      0.89614521      3.74230527
  H      2.81749936      4.03875212      3.04119442
          69
 Energy    -248.38917392588229     
  O      9.37880601    -11.59635564     -1.86450467
  H      8.52758587    -11.87820065     -2.23373070
  H      5.18737323     -9.66805472     -2.51130924
  O      4.93703153     -8.78223202      2.26009258
  H      9.64379429    -10.81107590     -2.35831902
  H      6.24251922     -9.15006209     -4.39275109
  O      7.86654546    -15.64442230     -0.76040272
  H      4.18059606     -8.23937939      2.46939441
  H      5.07456950     -8.17082411     -4.66589253
  O      7.72343955     -7.72281173     -2.22184252
  H      4.63048853     -9.70157895      2.31444988
  H      7.55635648    -15.75405925      2.34308523
  O      4.54499272    -15.53286287      2.04489698
  H      8.65416667    -15.09643478     -0.62884175
  H      7.63617526    -17.29824271      2.30914194
  O      6.32751580    -12.89953969      4.78049960
  H      7.64340041    -16.02747890      0.09404004
  H      9.05469656     -8.63587273     -2.89088206
  O      6.72601268     -8.84089563      0.14925499
  H      7.41207479     -7.97624051     -1.34207199
  H     10.43630592     -8.65500624     -3.58708980
  O      7.51152521    -10.27522306     -4.84713769
  H      6.96571467     -7.82915069     -2.80975230
  H      4.93483995    -14.46010120     -1.22090539
  O      6.43568888    -12.74406936      1.07542377
  H      5.38373576    -16.00688125      2.02449053
  H      3.99005900    -13.42097130     -0.51215874
  O     10.01809037    -13.93314167     -0.37948318
  H      4.43533524    -15.15174628      1.16110673
  H      7.47851140    -13.75422979      3.70707373
  O      6.10153145    -14.86388504     -2.60634998
  H      6.26396465    -11.94781073      4.84112328
  H      8.77198038    -13.65886138      2.82388683
  O      5.22205011    -10.25689815     -1.74681368
  H      5.43491127    -13.20594223      4.56084710
  H      9.57196905    -11.85206765      1.71806874
  O      5.59439819     -8.55937085     -3.96809243
  H      6.13488500     -8.71135778      0.90326467
  H     10.85123177    -12.07617508      2.55877317
  O      7.21589666    -16.54829528      1.89553450
  H      7.40039291     -9.48041861      0.41628983
  H      3.85890122    -11.20671089     -0.94185567
  O      9.71287968     -9.21407377     -3.31746827
  H      8.34556017     -9.94215431     -4.49383635
  H      3.41969306    -11.57459107      0.49012484
  O      4.53922435    -14.20854974     -0.37886045
  H      7.29913214    -11.05630977     -4.31667242
  H      4.03932003    -14.40900989      3.24241298
  O      7.97194105    -14.17417931      2.98679689
  H      6.89336143    -13.32767520      1.69321646
  H      3.02321720    -14.05417697      4.35361957
  O     10.08871926    -12.52136294      2.19842883
  H      5.88266048    -13.29480598      0.50609611
  H      3.93256170    -12.14591433      2.84246405
  O      3.27145040    -11.78844251     -0.43892140
  H      9.93094402    -13.17282939     -0.97032681
  H      5.06722245    -11.83728178      1.85219034
  O      3.78892851    -13.72524613      3.89116861
  H     10.17454951    -13.56561103      0.49605899
  H      7.70404706    -11.56166173      0.74715742
  O      4.26693947    -11.46237268      2.25099773
  H      6.76795620    -15.18591357     -1.96902693
  H      8.82733639    -11.10868065     -0.23008495
  O      8.45361761    -10.95224882      0.64968804
  H      6.01547426    -15.53111827     -3.28113700
  H      6.25606093    -11.62321366     -2.43645960
  O      6.89127202    -12.19450068     -2.89032266
  H      5.71521827     -9.78569794     -1.06097598
  H      6.57580087    -13.10455322     -2.84342852
          69
 Energy    -248.38916856594886     
  O     19.57906841     13.02059152    -18.84427865
  H     19.31597136     12.49489134    -18.07597169
  H     14.31743361     12.08588571    -14.20233100
  O     16.96794810     18.29526335    -15.37517607
  H     20.23966669     13.65687889    -18.55195363
  H     19.88321386     16.60080614    -14.95350566
  O     16.07494614     14.44384213    -12.97435587
  H     17.45662951     18.47045729    -14.56106591
  H     19.90944757     17.70920011    -13.87773647
  O     16.16473720     13.50475997    -17.15779666
  H     17.55677241     18.53872537    -16.09913091
  H     18.89758993     12.95979281    -13.39894551
  O     16.59221989     10.72832689    -12.90331551
  H     16.87273891     13.90170707    -12.88533378
  H     18.80745726     13.34172836    -11.89767824
  O     14.68935797     11.54344644    -15.82209415
  H     15.33644395     13.82304582    -13.00223055
  H     16.82101393     10.01163241    -14.47385993
  O     21.31302025     17.69334623    -16.98932325
  H     16.39066540     13.77159444    -18.05580938
  H     16.89651004      8.75657019    -15.37543794
  O     17.66135170     16.38554835    -11.64528739
  H     16.09602425     14.30591472    -16.61809548
  H     18.50840515     19.54683714    -18.23380144
  O     19.88519850     13.22342482    -14.89616315
  H     17.26796729     11.39146622    -12.70417613
  H     18.61038536     18.01034101    -18.10983609
  O     17.26879563     14.13919835    -19.69678619
  H     15.74955729     11.19701744    -12.87409326
  H     21.18857159     15.68070179    -13.46746004
  O     21.29714959     15.42596623    -18.52621751
  H     15.33588707     10.82841700    -15.78704248
  H     21.06947664     14.15976641    -13.68791175
  O     14.22786620     12.34361655    -13.26705851
  H     15.09040048     12.23453868    -16.36724767
  H     18.50214944     19.31504367    -12.39907064
  O     20.47743297     17.12276275    -14.39164554
  H     21.24633677     17.56192662    -16.03353877
  H     18.17322018     17.80532518    -12.47657448
  O     18.34881933     12.87500562    -12.60656369
  H     20.54961157     18.23796702    -17.21506518
  H     20.39691330     14.70430986    -11.60688045
  O     16.87897334      9.70929115    -15.39847863
  H     16.98803188     15.80186364    -12.01632040
  H     20.25162732     14.47641863    -10.08153993
  O     18.71769156     18.84486166    -17.62176588
  H     18.36019289     15.81358805    -11.30398394
  H     17.93218920     10.96161447    -16.28529803
  O     21.35562855     14.82452013    -13.04876619
  H     19.47527078     12.55061949    -15.45496391
  H     17.60120126     12.39113561    -16.76807785
  O     18.50323214     18.56612935    -12.98881135
  H     19.59512026     14.06493457    -15.27982344
  H     17.94220959     15.57441206    -15.73439464
  O     19.75180840     14.59342405    -10.88446448
  H     18.09757582     13.67202017    -19.48074201
  H     18.88414934     15.76782209    -16.93849663
  O     18.32788802     11.76129096    -16.65256895
  H     16.98476793     13.82429188    -20.55053231
  H     18.09935520     15.70306314    -19.15533718
  O     18.86899544     15.52709625    -16.00705888
  H     22.09913235     15.37480924    -19.04064939
  H     19.59494359     16.04868544    -18.89647840
  O     18.68847391     16.36667945    -18.77691046
  H     21.40223655     16.19380180    -17.93653093
  H     16.07251829     15.33020637    -14.55604662
  O     16.17567503     15.67635111    -15.45339882
  H     13.31876107     12.18909729    -13.02551323
  H     16.29530106     16.63716911    -15.40940214
          69
 Energy    -248.38892304712141     
  O     -7.14030376      2.68219404     -0.99055278
  H     -7.40954126      1.78641802     -1.23039067
  H     -0.08389384      2.42999385      2.19092159
  O     -3.59151678      2.01145759     -3.76486194
  H     -7.03557780      2.69924563     -0.03598698
  H     -2.83203143      3.87204483      0.16936060
  O     -4.07309100     -0.63374864      2.15424889
  H     -4.09515713      1.28255385     -3.36345654
  H     -1.78170382      2.94923693      0.88630363
  O     -1.10637484     -0.72257387     -1.07725243
  H     -3.72183388      1.95037009     -4.70808478
  H      0.58481576     -0.58658175      1.89017400
  O     -4.95866987      0.10462465     -2.36345014
  H     -4.08579563     -0.04570073      1.38062389
  H      1.68035530      0.48937749      1.78046821
  O     -4.89317654     -2.92115228      0.79556990
  H     -4.34951060     -1.50303836      1.83360282
  H      2.38727615      3.00180319      1.61212284
  O     -3.52514113     -2.12332913     -1.38778295
  H     -1.19924613      0.14666631     -1.49177651
  H      1.56190239      2.27715768      0.52315533
  O     -1.26839303      1.85343033     -2.15645381
  H     -0.17226230     -0.96005918     -1.13635931
  H     -7.61132803     -0.53338308     -1.08103440
  O     -1.29881267     -0.45787638      1.69462596
  H     -5.92099630      0.03400315     -2.34575194
  H     -8.51804779     -0.23440896     -2.30102498
  O      1.68746510     -1.04224969     -0.93984303
  H     -4.69688793      0.46833245     -1.50177773
  H     -3.76583604      1.07426791      3.22428756
  O     -6.79510401      0.39691620      2.39700309
  H     -4.38791609     -2.70011949     -0.00841718
  H     -2.77168640      2.24248383      3.15990311
  O     -1.01512977      2.23014921      2.34951617
  H     -4.84051722     -3.86642036      0.90622561
  H     -6.56249581     -2.00874357      0.47090942
  O     -2.20540481      3.14980255      0.04063135
  H     -2.64031210     -1.74300455     -1.31095953
  H     -7.27030160     -0.78434192      1.09230880
  O      1.52704147     -0.46131068      1.71273667
  H     -4.04858211     -1.46999939     -1.86930786
  H     -4.87266527      1.71561118      0.47607800
  O      1.64962131      2.41146765      1.48388339
  H     -1.96077028      1.93349368     -2.82238760
  H     -3.42303885      1.75706911     -0.01798346
  O     -7.70900447      0.02891449     -1.87184033
  H     -1.54527913      2.40862697     -1.41035277
  H     -4.38137966      5.93841074      0.22725500
  O     -3.69873704      2.03013746      3.32697455
  H     -2.19076997     -0.68391462      1.98014833
  H     -4.56545855      4.71444100     -0.70723924
  O     -7.30386835     -1.40563741      0.35004688
  H     -1.28065266     -0.55286874      0.73079819
  H     -5.81752217      3.52655588     -1.89664497
  O     -4.19209200      1.17729737      0.05148075
  H      2.35634406     -1.68453788     -1.15956101
  H     -4.53158359      3.40742164     -2.76065535
  O     -4.32404918      4.98754328      0.19835966
  H      1.71805662     -0.91899590      0.02608796
  H     -5.02942837      2.72488739      2.32105785
  O     -5.02713386      4.00503859     -2.19268960
  H     -5.92401017      0.01067331      2.54818065
  H     -5.34880976      3.75170136      1.21301655
  O     -5.69086000      2.96050175      1.64881919
  H     -6.63697528      1.33951256      2.27420308
  H      0.55486689      1.91777101     -1.63306505
  O      1.39142521      1.80599585     -1.16396634
  H     -1.11383473      1.28463397      2.15877240
  H      1.60198055      0.86590862     -1.22475734
          69
 Energy    -248.38879899482291     
  O     -1.76649942      0.60175055      3.62169756
  H     -0.83648851      0.88398660      3.68342810
  H     -3.81669334      5.36306722      0.76460885
  O     -3.40705402      0.99655765     -3.05588322
  H     -1.88002893     -0.10127063      4.25538018
  H     -2.56409624      4.03931571     -2.91055695
  O     -1.86637764      2.83443010     -4.24387781
  H     -3.75262143      1.33791392     -2.22180093
  H     -3.20770809      3.69904451     -1.55118228
  O     -4.85194641      3.93407310      1.52380885
  H     -2.90619090      0.19287022     -2.85660198
  H      2.04613988      4.43851298      3.32139269
  O      0.02115666      0.33831689     -0.87144600
  H     -2.04742756      2.88526380     -5.17809840
  H      2.19552330      4.46846960      4.86000184
  O      0.45465139      2.42745834     -2.70118854
  H     -2.44578017      2.13694921     -3.88231758
  H     -0.40006430      3.92037519      0.30847780
  O     -1.11162281      6.90106759      1.81312341
  H     -4.28595024      3.61504287      2.24987985
  H     -0.64066493      3.82776802      1.85221275
  O      0.84184495      1.40549921      3.65631364
  H     -5.69930417      4.14038310      1.90927516
  H     -3.30737808      1.79373607     -0.09997647
  O     -1.69700760     -1.13628697     -2.48504403
  H      0.76528433      0.56790048     -0.29966902
  H     -4.41871415      2.84318922      0.07318205
  O      1.71758537      1.55056424      0.97060106
  H     -0.76559899      0.48944770     -0.32458157
  H     -2.81428119      2.22728929      3.61341285
  O      2.66766486      5.01008224      1.80108333
  H     -0.29288121      2.52223476     -3.30554503
  H     -2.47389242      3.72830038      3.57727098
  O     -3.25088380      5.98557429      0.29124905
  H      0.26833525      1.68087355     -2.11558828
  H     -2.01701777      0.73708596      1.76745842
  O     -2.80556865      4.42023844     -2.05835499
  H     -1.86998986      6.67323627      1.25292146
  H     -1.49464745      1.92047092      0.93061447
  O      1.65881818      4.11601723      4.15508880
  H     -0.34535722      6.96705899      1.23421911
  H     -0.10580494      4.61844211      3.79635634
  O     -0.43525702      3.31729870      1.05892431
  H      1.24783656      1.27191919      2.78998288
  H     -1.02201176      5.58365128      2.95865173
  O     -3.95434608      2.31983860     -0.59252023
  H      1.11632925      2.28853491      3.93205814
  H      1.46254206      7.42454184     -0.50145498
  O     -3.20690656      3.09930887      3.50067028
  H     -0.98444052     -0.73578801     -1.96412307
  H      0.72712714      6.06475445     -0.50846706
  O     -1.97541789      1.07794545      0.86669382
  H     -1.67934199     -2.06808992     -2.28024119
  H      0.18119972      4.01521608     -1.78442902
  O     -0.98407298      4.72724352      3.41451378
  H      1.02204136      2.22574900      1.03052140
  H     -1.11735839      4.80384351     -1.52931794
  O      1.18477498      6.70608765      0.06142073
  H      2.52355857      2.00770349      0.70657064
  H      3.65473849      3.13758879     -0.88814021
  O     -0.17410158      4.78064462     -1.31510208
  H      2.19115737      5.64279564      1.24955715
  H      4.81875520      2.87463183      0.09377312
  O      3.89542131      3.11186339      0.05342969
  H      3.13209539      4.41948822      1.19658883
  H      2.20141749      2.81410953     -2.69098038
  O      3.12242565      3.09321905     -2.56598768
  H     -3.19084185      5.64151772     -0.60695307
  H      3.45884626      3.28668196     -3.43733685
          69
 Energy    -248.38876703641876     
  O     16.11608259      9.93430423    -15.92604488
  H     16.61310512      9.92636175    -15.09958227
  H     19.08180136      3.59669140    -15.24081889
  O     13.82164180      4.01834745    -16.77064709
  H     15.29415026      9.45731626    -15.76322635
  H     18.64251571      7.81031623    -17.23270870
  O     17.59195975      5.21517910    -11.76981456
  H     14.24163928      3.34696334    -17.30588042
  H     19.57258586      6.55940810    -17.18482431
  O     19.76845566      4.88054808    -17.98837666
  H     14.24829748      4.85232446    -17.01624946
  H     17.93053566      6.57336645    -15.66751881
  O     17.09022145      4.19796974    -18.05191988
  H     18.50213955      5.24171291    -12.08713217
  H     16.95098423      6.61934016    -14.44816556
  O     13.23389563      6.45879070    -10.60503148
  H     17.17298562      6.02687847    -12.09640784
  H     12.87489802      8.71881096    -15.93672483
  O     13.82774901      4.38765829    -14.03659791
  H     18.83778004      4.62451309    -18.10499023
  H     13.63014201      7.90389467    -14.86465419
  O     16.40111287      7.39732239    -12.89166256
  H     20.22083431      4.64121672    -18.79312143
  H     13.70055603      2.83691846    -10.95374244
  O     17.22817896      3.41965177    -15.37363005
  H     16.46114510      4.92483978    -18.01497188
  H     14.24104295      1.61480563    -10.17119627
  O     12.45285174      3.87002540    -11.64160056
  H     17.06066741      3.77185156    -17.18106267
  H     15.91394323      6.32039425    -16.52574354
  O     19.71289459      8.12563739    -14.07592141
  H     12.90261393      6.91500112     -9.83612764
  H     14.62295931      7.07256896    -16.88415337
  O     19.96677115      3.98680180    -15.25187008
  H     14.05435809      6.01031592    -10.33146894
  H     20.11329195      4.95648239    -13.79943769
  O     19.28123576      7.32938712    -16.68302639
  H     13.76171347      4.17662211    -14.97731651
  H     20.97811247      5.29578691    -12.56681986
  O     17.14928369      6.16288925    -15.27380210
  H     14.62781963      3.96781815    -13.69359317
  H     15.60554645      2.73344112    -12.13168320
  O     13.71529995      8.30934826    -15.74277429
  H     15.44262784      7.38823893    -13.00546377
  H     16.63411124      3.83670499    -12.49061433
  O     14.51164496      2.40412784    -10.63162852
  H     16.72996719      8.29887584    -13.00039094
  H     15.19666426      4.09438571    -10.00785636
  O     15.23741476      6.40667186    -17.21806584
  H     17.20610918      4.38871092    -15.29612267
  H     16.28204050      5.11487681    -10.39556871
  O     20.14094327      5.48648116    -12.98343660
  H     16.82667434      3.08618920    -14.56270128
  H     13.42286355      6.97137355    -12.37784295
  O     16.06351493      3.15188550    -12.87017936
  H     12.52430205      4.74426081    -11.24026054
  H     13.72307382      6.10226383    -13.62376148
  O     15.44775566      5.02231191     -9.91849610
  H     12.75126216      3.98198737    -12.55545764
  H     17.96670236     10.56624964    -13.06234742
  O     13.67831357      7.01943786    -13.30782924
  H     19.71759092      7.93881611    -15.02624467
  H     18.44880560      9.23930915    -13.69920536
  O     17.65988845      9.77810702    -13.50195693
  H     19.87965948      7.28309647    -13.63862169
  H     16.51606425      7.80531854    -18.06641299
  O     17.19723787      8.48212635    -18.01835521
  H     20.10137319      4.26723535    -16.16377965
  H     16.87342981      9.11347765    -17.35625934
          69
 Energy    -248.38831906615994     
  O     14.06987768      9.50303322    -10.93729787
  H     14.08275897     10.14366254    -11.66153018
  H     16.60634332      4.06459441    -10.58898734
  O     14.83885647     11.20222103    -16.78594005
  H     13.32659066      8.89523587    -11.07016610
  H     12.67472240      6.70948358    -11.41976608
  O     17.29781879     10.71095191    -12.91182193
  H     14.70077004     11.99002504    -16.24528124
  H     11.90643153      7.60210818    -12.41012844
  O     12.94144420      5.11785756    -14.30493243
  H     14.34741452     10.49691690    -16.34663583
  H     18.52044971      6.06120398    -13.53917130
  O     17.43787186     12.80668248    -14.78116475
  H     17.68471772     10.52171184    -12.05036123
  H     18.84918173      7.51918248    -13.98253822
  O     15.66746542      7.50641270    -12.11917226
  H     17.60404187     10.03914296    -13.53820350
  H     15.74640249     13.26338414    -14.82743230
  O     14.56504798     11.11883131    -13.12903563
  H     12.41217749      5.91939803    -14.38576887
  H     14.56935598     14.26782014    -14.88837459
  O     18.16756244      7.36563558    -10.85963558
  H     13.24344932      5.09292607    -13.38531969
  H     14.35694521      8.62800302    -15.06692429
  O     18.24290304     10.13086444    -10.30685403
  H     17.62731736     12.27760133    -15.56625173
  H     13.89983389      9.92501417    -14.34852029
  O     17.34288890      4.66182601    -13.65761262
  H     17.50895801     12.19198336    -14.03756029
  H     16.57767305     10.97769748    -16.95610455
  O     15.26722933      4.82943804    -15.63223917
  H     16.52423202      7.43759104    -11.67967277
  H     17.84121040     11.00563067    -17.84770396
  O     16.13258554      3.54577576    -11.26258715
  H     15.17150994      8.21955069    -11.69820348
  H     10.76756633      7.90097021    -14.71932866
  O     12.22672597      7.56133716    -11.50056091
  H     15.51555296     10.94898945    -13.03437637
  H     12.26383346      8.26966781    -14.60714850
  O     19.06548157      6.83744052    -13.33650713
  H     14.48573987     11.94827683    -13.61469302
  H     14.57715672      4.59074267    -11.50607854
  O     14.77498356     13.33774186    -14.85973437
  H     18.31434929      8.28951540    -10.63138323
  H     14.58865593      6.07978140    -11.87351966
  O     13.65171220      9.29336093    -15.03800026
  H     18.60762688      7.18508795    -11.70779418
  H     17.33772514      5.36392316     -8.54496007
  O     17.55003915     10.92549176    -16.94329541
  H     18.89736530     10.65139641     -9.84826776
  H     17.75192121      5.92186897     -9.91640553
  O     11.58449247      7.64796307    -14.29673671
  H     17.42146986     10.17976736     -9.78614229
  H     15.70432892      7.41967028    -13.90276500
  O     13.99553087      5.32630163    -11.72973813
  H     16.66965640      4.61560448    -14.34628735
  H     15.58822431      6.58937756    -15.22130842
  O     17.42883153      5.12533381     -9.46378863
  H     16.95177814      4.25343984    -12.87713120
  H     15.17437690      9.93123880     -9.63048670
  O     15.68477691      7.48245476    -14.87103970
  H     14.39247842      4.86266828    -15.20369027
  H     15.42477696     10.33100719     -8.16681059
  O     15.86989086     10.16680315     -8.99368083
  H     15.16313549      4.33342521    -16.43909155
  H     17.96759225      9.57743095    -15.69195645
  O     17.99295273      8.95547712    -14.95504041
  H     16.29075574      2.62713711    -11.06108167
  H     17.18944263      8.41650780    -15.02202321
          69
 Energy    -248.38819682065832     
  O     16.50483170     10.20538519    -15.31685449
  H     17.39750586      9.83827382    -15.23846506
  H     13.73611440     10.72976012     -9.02707696
  O     16.54710068     12.99483178    -15.24285270
  H     16.56407912     11.16449871    -15.40846369
  H     18.81561471      4.00931944    -14.82701105
  O     13.55179922      7.57829600    -10.46926047
  H     16.35522123     13.65618386    -15.90189970
  H     17.48812765      4.77464895    -15.03736568
  O     14.43643801      8.41229013    -15.84131772
  H     15.91653006     13.13214485    -14.51170669
  H     15.78683346      8.01246979    -12.31547402
  O     18.90407339      8.97766630    -14.75092339
  H     13.74797824      8.44689579    -10.10134801
  H     15.19202636      6.67431096    -12.82792752
  O     20.32210133     10.74422878    -13.09212013
  H     14.37325680      7.28015622    -10.88402551
  H     18.71018785      7.77284235    -16.18308572
  O     18.39386598      6.95527669    -12.88548984
  H     14.80221732      7.87754514    -16.55791092
  H     18.57135621      6.24424954    -16.15153837
  O     11.83699555      7.12035073    -12.54106408
  H     15.10874345      9.08411227    -15.66009897
  H     17.17746290     14.05248362    -10.33656650
  O     14.97854374     13.29724520    -13.06673016
  H     19.49426285      9.59046470    -14.29685717
  H     17.02909712     12.55675316    -10.70844612
  O     12.27271036      9.44875318    -14.16433066
  H     18.68799280      8.28621035    -14.10695870
  H     16.81744248      6.93871324    -17.37848139
  O     13.56265991     10.98570870    -12.28382437
  H     21.22208847     11.05848935    -13.08340954
  H     15.90327818      6.70482906    -18.60339548
  O     14.22336470     10.27156767     -9.70802411
  H     19.74942414     11.52837726    -13.17069856
  H     16.22240903      9.95850341    -13.57071392
  O     18.42820251      4.88010217    -14.80334377
  H     17.47904042      6.90272959    -12.57032358
  H     16.55872744     10.17916947    -12.05016529
  O     15.75107495      7.05879224    -12.13848552
  H     18.52229338      6.18803293    -13.45655204
  H     18.02048212     12.93248370    -14.04904733
  O     18.44553636      7.01490060    -16.71962219
  H     12.38137491      7.30094572    -11.75436089
  H     18.15157672     13.13128425    -12.52741375
  O     17.01093461     13.46211465    -11.06643844
  H     11.03210437      6.71389699    -12.23161834
  H     17.68131970     10.19831207    -10.37089490
  O     15.89441895      6.79399908    -17.65409604
  H     14.36721586     12.59744223    -12.80261962
  H     16.17869842     10.49383558     -9.95020420
  O     15.96154908      9.74226323    -12.66614118
  H     15.57821272     13.43487951    -12.32286323
  H     14.12755707      7.02459576    -14.70874962
  O     18.63118558     12.83130113    -13.30938364
  H     12.89483042      9.15399327    -14.84002032
  H     13.17475041      6.41244692    -13.64514951
  O     17.00437710     10.88425380    -10.25925754
  H     12.02748876      8.66100831    -13.66221681
  H     18.82120781      8.32842144    -11.59118210
  O     13.99385001      6.25791164    -14.13053920
  H     12.95669286     10.57401025    -12.91538963
  H     19.48645938      9.70821786    -11.71301078
  O     18.93202029      9.17037246    -11.13351021
  H     14.41331722     10.54314367    -12.43634051
  H     15.14154062      5.11396192    -15.03055706
  O     15.83891838      4.77836038    -15.60979508
  H     13.87695435     10.59076749    -10.55933794
  H     15.79685047      5.33140087    -16.39976690
          69
 Energy    -248.38808311448798     
  O     16.16314626     12.85901113    -17.87639313
  H     17.12460735     12.78619652    -17.85438871
  H     18.58543120     13.55993003    -16.60046656
  O     19.87328341     16.94291084    -15.80812170
  H     15.85161804     12.60792582    -16.99659083
  H     14.01248044     15.69514214    -11.06131646
  O     18.83239747     10.67006033    -13.46901639
  H     18.96362231     16.89588629    -15.47385267
  H     15.19212101     14.78550515    -11.48159001
  O     17.13093625     16.92985618    -12.17928259
  H     20.31887505     17.62068040    -15.28483479
  H     21.55641234     14.07461199    -15.42308074
  O     14.86921967     16.87976938    -16.20769710
  H     19.30757245     10.28958296    -14.20381913
  H     20.83636241     15.43860927    -15.17787457
  O     16.24011872     13.45165378    -11.14244357
  H     19.24900901     11.53137157    -13.30043107
  H     18.17180946     15.57837717    -11.51221379
  O     14.15491847     14.77120323    -14.40899694
  H     17.20350246     16.87467507    -13.14391117
  H     19.49298266     15.29462034    -10.76104913
  O     21.55125907     12.76500684    -16.65708433
  H     16.24594450     16.61727261    -11.95623246
  H     14.91296859     13.24439879    -14.86369635
  O     19.47115840     18.41831713    -11.75838261
  H     14.29701966     17.55913733    -16.55236480
  H     15.59757934     11.93905307    -14.34071697
  O     19.70482116     13.23672816    -13.12114843
  H     15.27083776     16.43155895    -16.97591546
  H     22.13713058     15.77834403    -13.43036801
  O     16.16263022     15.62714163    -18.18791394
  H     16.27632758     12.64688904    -11.67220400
  H     22.04381346     17.29269962    -13.19597917
  O     18.99047348     13.37793373    -17.46334255
  H     17.14585614     13.76493507    -11.02609898
  H     21.31760733     19.64002270    -14.01757689
  O     14.69784741     15.59267573    -11.71630600
  H     14.29223498     15.11007958    -13.51652093
  H     20.41513932     18.68676964    -13.20016172
  O     21.35834529     14.74496564    -14.75380634
  H     14.30696679     15.50871756    -15.01213720
  H     21.52117620     16.34099973    -11.23343093
  O     18.71567226     14.86760351    -11.14246216
  H     20.65709068     12.87900934    -17.01916541
  H     21.58424286     16.38820940     -9.68786585
  O     15.47951238     12.49693646    -15.11773268
  H     22.05411078     12.30810338    -17.32596099
  H     17.15085876     10.87209830    -13.01103399
  O     22.32251097     16.46849159    -12.77896411
  H     18.58643099     18.03918355    -11.84705304
  H     15.85939866     10.29200976    -12.39080183
  O     21.01043089     18.73866639    -13.97012419
  H     19.95588099     17.82192738    -11.17488261
  H     18.40063271     13.64015874    -14.32938561
  O     20.97927262     16.35746732    -10.42383115
  H     20.35926215     13.73968031    -13.62498167
  H     17.00493018     13.41787160    -15.02260442
  O     16.23369095     11.08518591    -12.76675840
  H     19.40654543     13.78727422    -12.38407851
  H     19.40159288     16.43648934    -17.47860707
  O     17.81422501     13.94751076    -15.03108364
  H     17.10053107     15.82168800    -18.28256807
  H     19.47525326     16.55163467    -19.01671125
  O     19.05292728     16.07166975    -18.30836547
  H     16.08043072     14.66242686    -18.14982534
  H     17.43058249     15.65198506    -14.95113128
  O     17.31561899     16.61497204    -14.89825311
  H     19.05301840     14.23447891    -17.90519590
  H     16.48337005     16.82776716    -15.33734243
          69
 Energy    -248.38803404717561     
  O     -1.09803177      5.27100857      2.37471670
  H     -0.57107932      5.80820295      2.98435164
  H      0.01395802      2.22687222     -1.67531360
  O     -3.32166515      4.98790146     -1.19900784
  H     -0.55424139      5.18419878      1.57245240
  H      0.40328718      7.94593373     -2.01586683
  O      4.17537385      6.89597068      0.10066923
  H     -2.47101719      5.05735142     -1.66209686
  H      0.12984223      6.61401660     -2.72413891
  O      1.66210916      7.58890526      1.11839485
  H     -3.83651218      4.31068632     -1.65452183
  H     -2.78022960      0.14857077     -0.22773527
  O     -0.77086024      5.06177183     -2.17009739
  H      4.15378994      6.08550268      0.64270841
  H     -2.11798061     -1.24963375     -0.30071608
  O      2.33306293      2.90485360      0.02916574
  H      5.05281632      7.25984127      0.18106314
  H      1.81509415      3.69749737      3.65208902
  O      0.61490174      5.16119950      0.23309109
  H      1.08945875      8.13532225      0.56411155
  H      2.80780897      3.93047237      4.81151078
  O     -2.30856885      7.11098446      0.43948585
  H      2.54214855      7.54618643      0.72264209
  H     -3.74442091      2.15621271     -2.65662231
  O     -0.27806590      1.79245013      0.20080975
  H     -0.51871664      4.19176479     -2.50169785
  H     -5.18847644      2.57741682     -3.01456724
  O     -2.45148462      3.39850705      0.89463169
  H     -0.29931173      5.17529824     -1.32959626
  H     -1.49087092      1.58767475     -3.06799665
  O     -0.33306292      8.79004330     -0.44617213
  H      2.56040357      2.91622901     -0.91082767
  H     -2.21743468      0.50599446     -2.25739379
  O      0.10114993      2.44756013     -2.61176594
  H      1.53340134      2.37447035      0.13075157
  H     -0.22328303      3.61712501      2.91819445
  O      0.74301872      7.36145198     -2.70304766
  H      1.05255408      5.98190156      0.49728920
  H      0.20507489      2.30954366      2.23523160
  O     -1.97560431     -0.32874407     -0.50182046
  H      1.28297760      4.46705124      0.20477334
  H      3.49442487      2.93165533     -3.29218557
  O      2.51909364      4.28569150      3.97428800
  H     -2.81067773      6.50156731     -0.11616546
  H      2.87693709      4.18072463     -2.61492287
  O     -4.50627226      2.68341926     -2.35648194
  H     -2.05836421      6.61319280      1.22534137
  H      1.20527924      7.07877445      2.86682508
  O     -2.34288868      1.14186142     -2.97180874
  H     -0.71041460      0.94707334      0.02083463
  H      1.50593301      5.94165005      3.86451412
  O      0.37241855      2.86132329      3.00315863
  H     -0.99185292      2.41952306      0.39447719
  H      3.49844791      3.92397339      1.03545590
  O      2.78922732      3.21395864     -2.71671298
  H     -2.77942221      3.94488276      0.16525236
  H      3.54590184      4.57473721      2.42682721
  O      0.87139455      6.63956191      3.66197016
  H     -2.17634434      4.00977760      1.58831929
  H     -3.61272154      1.97170182      0.59475263
  O      3.92764101      4.62636427      1.54220563
  H     -1.06644145      8.21977059     -0.15594603
  H     -4.42496626      1.68442169     -0.67242150
  O     -4.08088971      1.26607538      0.12617092
  H     -0.67577347      9.67985929     -0.47291340
  H      3.48117394      6.22780714     -1.54451403
  O      3.02865846      5.84534914     -2.30376245
  H      1.03267847      2.65071576     -2.76916731
  H      2.28043223      6.42798500     -2.50021466
          69
 Energy    -248.38787244150160     
  O     11.10941926     11.41389086    -15.25440598
  H     11.05832487     12.25068081    -14.76728992
  H     17.10270352     14.43216266    -17.40163127
  O     14.56734985      9.26850338    -10.53927698
  H     11.50379578     11.61524673    -16.11283621
  H     13.39978433     14.59222413    -11.20008997
  O     18.58800588     13.43028717    -12.62362177
  H     13.68898343      9.18516815    -10.93498756
  H     12.42350679     13.38323124    -11.30806512
  O     12.02028154     11.84860469    -10.46866724
  H     14.54954691     10.07718029    -10.01863071
  H     11.94620501     14.49760830    -15.28374621
  O     12.15813903      9.47392189    -11.97277819
  H     18.40584741     12.95025571    -13.45323093
  H     12.61613250     13.88028271    -16.52510907
  O     13.48948441     10.39892676    -14.19289950
  H     19.53073874     13.56284326    -12.57996499
  H     15.38626168     12.32447436    -12.53997095
  O     14.87365829     15.01577064    -10.14379283
  H     12.04020379     11.02569723    -10.97676102
  H     14.03446783     13.10947680    -12.63003522
  O      9.74452302      9.81350255    -13.44829144
  H     12.88484141     11.91638117    -10.03988537
  H     17.67812585     12.63343143    -15.59053926
  O     15.17293318     14.66122442    -14.85078588
  H     11.26668489      9.39076994    -12.32912685
  H     17.33526943     11.32340343    -14.84530865
  O     15.18867475     11.42895199    -17.15969979
  H     12.71112185      9.72077248    -12.73080370
  H     12.41901208     12.15981238    -18.41766160
  O     10.92999288     13.78443835    -13.80528711
  H     13.90656126     11.19977359    -13.83295591
  H     13.51034556     11.87302185    -17.36268050
  O     16.80644105     13.73856715    -16.81900662
  H     12.68969506     10.68666843    -14.64821204
  H     15.94512579      9.02133262    -11.61381835
  O     12.79542537     14.13443871    -11.79647173
  H     14.97197856     15.78358248     -9.58669196
  H     17.28036532      8.29494401    -11.89121217
  O     12.64400778     14.64279322    -15.93491504
  H     15.47064240     15.14531894    -10.90247747
  H     16.43111329      9.47021639    -14.03882893
  O     14.66625887     12.57545163    -13.13089415
  H      9.05316319      9.28918898    -13.84476986
  H     15.15364644      9.97682333    -14.70271519
  O     17.93982960     12.07627113    -14.84707265
  H     10.16504537     10.31154026    -14.16948148
  H     17.47303537     12.28676347    -11.72432903
  O     12.59559195     12.18411849    -17.48067023
  H     15.07903674     13.86474987    -14.30613738
  H     16.90566247     10.82709693    -11.71035733
  O     16.73667752      9.02298200    -12.18174720
  H     14.29995468     14.81437891    -15.24138913
  H     10.20793726     12.17584966    -11.26544981
  O     16.10930812      9.89291177    -14.84406224
  H     15.55924076     10.80872832    -16.52271883
  H      9.44962160     11.40185451    -12.35580037
  O     16.74173205     11.73391269    -11.42218438
  H     15.76705628     12.20249691    -17.14884076
  H     17.23194646     14.76658188    -12.44022682
  O      9.52766713     12.27047493    -11.94285879
  H     10.26105252     13.38496487    -13.23034305
  H     16.01570838     15.29856178    -13.22262626
  O     16.44489245     15.31888722    -12.35804197
  H     11.62919105     14.06482846    -13.19751061
  H     14.70433343     13.12049439     -9.56974090
  O     14.69200565     12.15675699     -9.61656256
  H     16.24251664     14.15552458    -16.14347633
  H     15.46075371     11.94864005    -10.16886111
          69
 Energy    -248.38780478518342     
  O      1.81286375     -1.91495117     -1.82971857
  H      1.10911827     -1.30103453     -1.54724083
  H     -2.38549582     -0.93731608      1.59282243
  O      6.53493208     -0.07572559     -1.98702575
  H      1.42324084     -2.51434389     -2.46073745
  H      4.80843461      2.25495608      3.66583394
  O      0.22570978     -2.15738571      2.92189201
  H      6.74594016      0.85877347     -1.87672173
  H      6.01135942      1.58181868      2.95377384
  O      1.25707203      2.19230478      4.32327648
  H      5.59534644     -0.10728448     -2.21424668
  H      7.83541026      3.16075704     -1.25760600
  O      7.14032439     -1.34437151      0.36414408
  H      0.74875305     -1.72252705      3.60692842
  H      7.01262670      2.29969715     -0.27582668
  O      4.75642021     -2.18282738      1.79014221
  H      0.86381992     -2.48626246      2.27219062
  H      3.55529745      0.71143160      0.90597990
  O      4.44863060      3.86771268     -1.74038312
  H      0.64935795      2.13669547      3.57357149
  H      4.10341911      0.72402798     -0.55654148
  O      3.44716793      3.59541792      3.55171460
  H      1.46446778      1.28259784      4.57333395
  H      5.08727022     -0.08734387      4.21368708
  O      2.48778154      2.47992983     -2.99443642
  H      7.83019251     -1.98628216      0.21729349
  H      5.48114118     -1.28227809      5.11100529
  O      6.75326610      1.31208196      1.23345477
  H      6.92447733     -0.96607850     -0.50663870
  H      1.61819815      2.96682461     -0.06129507
  O      3.75099528      0.06854109     -2.23988186
  H      5.54538156     -1.90228759      1.31364440
  H      1.28573345      2.54262893     -1.49134050
  O     -1.48907086     -0.63679847      1.47140581
  H      4.82825242     -1.82463281      2.68367657
  H      2.13283342     -2.42876957     -0.01776498
  O      5.45715403      1.54580975      3.74349881
  H      5.32472244      3.49389308     -1.58770349
  H      3.11151514     -2.46091382      1.20492112
  O      7.01760362      2.67602967     -1.17125265
  H      4.05610553      4.00445318     -0.86699686
  H      2.14886245     -0.22970871      3.49259532
  O      4.23238049      1.09135223      0.32537808
  H      2.66069472      3.10941551      3.85757371
  H      2.97326455     -0.80423377      4.63940073
  O      4.88041269     -1.01681089      4.41960159
  H      3.53922273      4.35075639      4.12723255
  H     -0.77861109      1.04956245      1.78687138
  O      0.93126085      2.53884489     -0.59398423
  H      3.20808486      3.01851186     -2.61784756
  H     -0.01808754      2.18894265      1.03680336
  O      2.17575571     -2.47012693      0.94336421
  H      2.29115529      2.84478801     -3.85318357
  H      3.58031341      2.71256670      0.56883616
  O      2.07680292     -0.53274050      4.41255589
  H      5.82239783      1.24768910      0.95197161
  H      3.23456257      3.71134754      1.69360924
  O     -0.17509839      1.79588740      1.90483638
  H      7.10500273      0.42238472      1.10631267
  H      0.29538376      0.74866661     -0.80499412
  O      3.16346455      3.57266899      0.74233713
  H      3.27364728      0.82799051     -2.59792772
  H     -0.57590062     -0.36566384     -0.17110558
  O     -0.00896955     -0.15943701     -0.92427064
  H      3.12345413     -0.66017807     -2.15160637
  H      1.35267117      0.70293335      1.72589180
  O      2.16854188      0.19100871      1.76089786
  H     -0.92402421     -1.20781284      2.02247662
  H      2.00293304     -0.70157445      1.42552382
          69
 Energy    -248.38777822570887     
  O     14.62552858      9.56210929     -9.36396300
  H     15.26945306      9.19961488     -9.98813140
  H     11.90313543      5.27451797    -12.10627622
  O     17.21297820     12.83337792    -12.73103466
  H     14.96581827     10.41884033     -9.07464345
  H      9.66819522      8.70759010    -10.12151526
  O     11.08389257     11.47421469    -14.59059327
  H     18.01486464     13.30775933    -12.93360457
  H     10.99244390      9.14175970    -10.79154839
  O      9.94836160      9.24629743    -13.57824627
  H     17.44587863     12.15786322    -12.06924746
  H     13.79260675      6.21004734    -10.86974290
  O     13.12909592     12.08385591    -12.78484536
  H     10.41059187     11.99576697    -15.01928787
  H     14.23359055      7.12356112    -11.99869244
  O     15.36629304     11.42031120    -14.32751955
  H     10.63731044     10.69411137    -14.21517147
  H     12.32805339      6.52629993     -9.49642923
  O     15.71554201     12.07529535     -8.89058279
  H     10.36648247      8.50101409    -14.03536931
  H     11.33105049      6.89258683    -10.59976534
  O     16.48399537      8.45565904    -11.16254164
  H      9.90177277      8.98601760    -12.65202841
  H     14.19758857     13.10570757    -11.62599111
  O     14.75884906      4.60746738    -13.45346463
  H     13.90451171     11.82488079    -13.30434455
  H     15.70827546     13.39768110    -11.68225408
  O     17.65589736     11.01949356    -10.74292602
  H     12.36995519     12.00853974    -13.37711029
  H     12.52936402     10.71830246    -15.60761035
  O     13.39930209      8.42208728    -12.93119165
  H     15.67568772     10.50829280    -14.21336618
  H     14.06756029     10.78878264    -15.59643470
  O     11.93145142      5.02226732    -13.03710411
  H     16.03459461     11.98191285    -13.91735880
  H     14.84221997      6.87506560    -15.89328859
  O     10.27039232      8.49023720    -10.82961357
  H     15.83163052     12.67253943     -8.15694622
  H     15.31562856      5.83743745    -14.84945568
  O     14.56447932      6.43051031    -11.40463690
  H     15.38131402     12.60590479     -9.63666916
  H     13.20733376      7.64405312    -17.63283104
  O     11.96728708      6.21422777    -10.34015934
  H     16.02927670      7.60924016    -11.06265080
  H     13.35229797      8.65855887    -16.47599974
  O     14.93883221     13.43217364    -11.09956078
  H     16.44413226      8.64094350    -12.11333329
  H     11.58255075      6.37756864    -14.15073036
  O     13.31986456     10.34917476    -16.01922378
  H     15.27954198      3.83442684    -13.24764611
  H     12.06324374      7.23410735    -15.38667048
  O     15.61783990      6.56183644    -15.40990174
  H     14.81622200      5.19617007    -12.68209245
  H     13.74231597      8.17451612     -8.53083750
  O     13.32328023      7.70813542    -16.68813140
  H     17.41623383     10.08939384    -10.83927861
  H     13.60830475      7.22109627     -7.33432034
  O     11.49914124      7.23014497    -14.60413363
  H     17.12792213     11.35593998    -10.00847191
  H     14.99672043      8.75482561    -13.57212019
  O     13.24032052      7.41752887     -8.19258811
  H     12.98996718      9.02612724    -12.30194439
  H     16.04026805      8.04175038    -14.44746671
  O     15.92693641      8.79421182    -13.85096381
  H     12.70774657      8.06372122    -13.50101597
  H     13.16621270      9.99876190    -10.35007673
  O     12.42192139     10.15670228    -10.94616408
  H     12.83695287      4.74072581    -13.21652283
  H     12.64353919     10.90984017    -11.51136230
          69
 Energy    -248.38766454334191     
  O     10.90460666      9.76013320     -9.85043041
  H     10.18265776      9.36389651     -9.37066751
  H     14.10434938     13.15804510    -14.28292722
  O     13.38392005     10.83079680    -17.63714357
  H     11.61463916      9.92968083     -9.20370491
  H     16.51186739      9.41633017    -10.57019281
  O     12.78242331      8.93121900    -11.78949200
  H     13.24194091     11.77417448    -17.49407693
  H     16.36644814      8.92996414    -12.03071662
  O     14.34022622      9.61516239    -15.35806191
  H     12.51357047     10.42102722    -17.55218188
  H     14.33491977      8.13922534    -12.62474255
  O     13.41397596     13.12086436     -7.73748273
  H     12.07875158      8.98392074    -11.13264019
  H     15.02384560      8.46648564    -13.96267951
  O     12.75367227     13.58937104    -17.01475524
  H     13.32395309      9.72168795    -11.64192055
  H     11.97118192     13.72932810    -10.36816401
  O     11.75548477      9.67958354    -14.26289751
  H     13.45598682      9.57741099    -14.96654967
  H     13.11584920     14.73069512    -10.65210765
  O     13.96537420     11.44352790    -11.44862206
  H     14.20453606      9.97437216    -16.24647529
  H     18.55590860     11.54649596    -13.12084177
  O     12.96022328     10.31022476     -8.18525197
  H     13.06716586     13.62985577     -8.49325551
  H     17.44563253     10.90554175    -12.25442052
  O     16.54775456     13.92343765    -11.37988022
  H     13.25606601     13.64438315     -6.95698936
  H     10.61252264     12.44419179    -14.71659132
  O     11.27841665     12.25804869    -11.16371863
  H     12.99937772     14.35023438    -17.53595996
  H     11.89968056     12.92530810    -13.99759780
  O     13.44383776     13.86789235    -14.33732776
  H     13.02253558     13.78084929    -16.10201684
  H     14.99085089     11.99589894    -10.10480956
  O     16.90216365      9.48763974    -11.44611009
  H     12.01443914      9.30553320    -13.41078939
  H     14.92221731     12.67725499     -8.71100417
  O     15.17894535      8.08327963    -13.09043670
  H     11.54183086     10.61085078    -14.10672014
  H     16.08533254     11.78432334    -13.66233660
  O     12.54781063     14.38783234     -9.95331287
  H     14.34841390     11.61694222    -12.31843577
  H     14.97281623     11.02653480    -14.46811612
  O     17.68076662     11.69664718    -12.77446232
  H     13.08096379     11.83010787    -11.40606535
  H     10.26021678     11.51753120    -16.73243466
  O     11.11614056     12.36832800    -13.89356441
  H     13.84008224      9.96215487     -8.37143045
  H     10.96501477     12.88638260    -16.78796833
  O     15.53357531     12.30117701     -9.35665061
  H     13.07498433     11.24383267     -7.96797522
  H     15.82412068     10.60197079     -8.89692759
  O     15.16498918     11.82068958    -13.95034371
  H     16.31831167     13.46303060    -10.56061923
  H     16.35907191      9.41218871     -8.06692519
  O     10.17059998     12.44122363    -16.46532528
  H     17.03381304     13.27404365    -11.90128385
  H     14.51585137     16.23113160    -12.03290743
  O     15.74471130      9.64199351     -8.76094461
  H     10.99855430     11.42051914    -10.77533418
  H     15.12373706     14.82294078    -11.85372543
  O     14.30211280     15.30149526    -12.06495891
  H     11.02617110     12.27224934    -12.09801945
  H     10.40530039      8.88514154    -17.15414795
  O     10.84301719      9.68673148    -16.87871786
  H     13.64551357     14.47211156    -13.61340478
  H     11.10704451      9.55537618    -15.95297880
          69
 Ord_Energy   -248.387436    
 O   -4.68023586      -1.77178371       3.92429996    
 H   -5.44234467      -1.41555381       4.39322472    
 H   -4.70608425      -1.36112356       3.04397964    
 O   -3.05656624       1.90615022       3.51638579    
 H   -2.89330864       2.85599327       3.45838046    
 H   -4.01206112       1.79661155       3.62978721    
 O   -7.40793800     -0.148722082      0.510514677    
 H   -7.47170115     -0.292636842     -0.445091158    
 H   -7.32074976      0.801055789      0.664780974    
 O   -7.71183300      -2.12787437       2.38041496    
 H   -7.70318174      -1.44064581       1.69402122    
 H   -6.90727282      -2.64740348       2.26225162    
 O   -2.07759261     -0.716251671       3.99670982    
 H   -2.30271459      0.223352343       3.99521089    
 H   -2.91280317      -1.18164241       4.13947964    
 O   -4.69955254      0.423145652      -2.73445177    
 H   -4.39940834      0.567619205      -3.62868595    
 H   -4.41937304     -0.477956295      -2.49138021    
 O   -3.26952147      -2.80790114      0.497538865    
 H   -2.41200089      -2.49493146      0.808651567    
 H   -3.89486933      -2.10215044      0.733210683    
 O   -7.17509413     -0.558414757       4.57561302    
 H   -7.81845999     -0.665618360       5.27156544    
 H   -7.46894026      -1.11576331       3.83473015    
 O   -4.34964037       2.28603244     -0.653822899    
 H   -4.50409842       1.72097659      -1.42090678    
 H   -3.61872053       1.88197219     -0.161843926    
 O   -6.75290775       5.16903400       1.53484011    
 H   -7.39901733       5.86918449       1.55411184    
 H   -6.43368912       5.05009651       2.44771838    
 O   -2.58238029      0.971642494      0.957447946    
 H   -2.66703939       1.34085238       1.84954250    
 H   -1.96931481      0.229326248       1.01441967    
 O   -5.83885670       1.78477192       3.65909529    
 H   -6.11594486       1.92364812       2.74218202    
 H   -6.33121300       1.03030396       4.00143623    
 O   -5.26187849      -3.90159965       2.15808177    
 H   -5.02954865      -3.40931511       2.95564270    
 H   -4.52265215      -3.75025582       1.55243158    
 O   -7.34972477      -4.20820665      0.321364790    
 H   -6.59194374      -4.33508348      0.910458505    
 H   -7.95911503      -3.66465402      0.828396022    
 O   -5.65603542       4.59106922       3.95394993    
 H   -5.78814602       3.63728833       4.04328775    
 H   -4.70792007       4.71094465       3.81713915    
 O   -6.69165754      -3.39739561      -2.20627069    
 H   -6.98667955      -4.06780100      -2.81745601    
 H   -6.93381548      -3.70912910      -1.31780815    
 O   -7.32858324     -0.611090124      -2.17173862    
 H   -6.50943375     -0.187532648      -2.45622945    
 H   -7.18756294      -1.56164646      -2.27027202    
 O   -6.57690191       2.41634512       1.01697040    
 H   -5.81918192       2.37284803      0.415111214    
 H   -6.79350996       3.34990358       1.12612724    
 O   -1.06143820      -1.35726666       1.56560564    
 H   -1.35995018      -1.18831921       2.47811437    
 H  -0.122739419      -1.51809216       1.60874748    
 O   -2.92006350       4.67130184       3.07664180    
 H   -2.24909997       5.34117365       3.17671275    
 H   -3.25071764       4.73822880       2.16291285    
 O   -4.13740015      -2.14915657      -2.09547091    
 H   -3.71669650      -2.45735621      -1.28337693    
 H   -4.95968342      -2.64967465      -2.17402816    
 O   -4.05605173       4.82136059      0.604677200    
 H   -4.09029055       4.04362869       3.34963985E-02
 H   -4.97407246       5.05969143      0.785307586    
 O   -4.80036449     -0.703401804       1.35552776    
 H   -4.15289783      -2.04636008E-02   1.14432478    
 H   -5.65356636     -0.469519556      0.971400917    
          69
 Energy    -248.38732335273113     
  O     17.32788772      8.17222315    -14.01383069
  H     16.60156231      8.80941083    -14.08897613
  H     13.73067196     12.58254452    -14.88241351
  O     17.08998294     11.32133327    -11.01398882
  H     17.99919887      8.60213242    -13.47161206
  H     15.36034868     10.84638074    -14.35551093
  O     15.62161682     12.53918084    -14.98401145
  H     16.14795615     11.12379204    -11.11896445
  H     14.97066043     10.11676038    -13.04694755
  O     15.57397919      7.73342454     -8.73330833
  H     17.36299609     10.87311258    -10.19977233
  H     11.92439396      9.49455636    -12.70375567
  O     15.89192735      6.33968539    -12.46467034
  H     16.21278859     12.88306071    -14.30157488
  H     12.36195730      8.41802129    -13.71551872
  O     14.48052867     10.54382489    -11.35127087
  H     16.17438826     12.22262341    -15.71150728
  H     20.55692715      7.91183394    -10.27727584
  O     15.80373323      8.94847931    -17.19357219
  H     15.06742275      7.48228269     -7.96443981
  H     19.49276129      8.59601095    -11.16332921
  O     17.45613594      6.12535061    -10.21411614
  H     14.95051785      7.75868827     -9.47757498
  H     15.46726346      6.01096291    -15.52676141
  O     17.26104454     11.22979706    -16.84165296
  H     16.44725042      6.09296884    -11.71083554
  H     14.96671295      5.91303379    -14.07666759
  O     17.16216262      6.65274725    -16.27687800
  H     16.41693156      6.95862557    -12.99044269
  H     17.71598347     14.06495714    -12.58184430
  O     19.06070427     11.44044074    -14.57443715
  H     13.62304740     10.92441652    -11.58359661
  H     17.35691347     12.60800232    -12.21669604
  O     12.79763110     12.39463018    -14.72565885
  H     14.33604822      9.61209395    -11.13202164
  H     18.29594754     10.24348948    -11.93551192
  O     15.25305365      9.97310223    -13.95861941
  H     14.94283263      8.81624839    -16.78529689
  H     19.17491894     10.28212357    -13.20818198
  O     12.07187443      8.54568679    -12.80616577
  H     16.29054395      8.12727190    -17.04275042
  H     16.96874934      9.04650462     -8.80747346
  O     19.61563390      8.00923622    -10.39859684
  H     16.87522709      6.57788525     -9.59010852
  H     18.43177891      9.06742353     -9.28634536
  O     14.66460506      5.98481829    -14.99220122
  H     18.24646939      6.67528470    -10.28199339
  H     14.07969893      8.97790214    -14.85116319
  O     17.47644658     13.22259670    -12.96043418
  H     17.54447829     11.51840312    -17.70589753
  H     13.79342966      7.50554033    -15.28828922
  O     18.96626564      9.74809098    -12.42716574
  H     16.74768865     10.41503107    -16.97930072
  H     13.25466017      7.96367980    -11.57298802
  O     17.72084649      9.63250777     -8.96050050
  H     17.33621999      7.16827653    -15.46934471
  H     14.65087225      7.27782511    -11.55216554
  O     13.48921063      8.42078524    -15.38276279
  H     17.94454784      6.13606392    -16.44979245
  H     11.28355086     11.88879187    -12.02834638
  O     14.04477397      7.82429618    -11.03061935
  H     18.61788270     12.15375358    -14.09699606
  H     12.28027639     11.78736192    -13.20777198
  O     12.02387399     11.38658582    -12.35709865
  H     18.53110158     11.28514324    -15.36530464
  H     11.47409920     10.16904695    -17.27488060
  O     12.06492894     10.46330676    -16.58626435
  H     12.50666852     11.81035819    -15.44086103
  H     12.47510229      9.66241310    -16.22454006
          69
 Energy    -248.38726993709389     
  O      5.81948263     -4.64620440      2.44911528
  H      6.30363271     -4.63387562      3.28788985
  H      3.56314682     -2.47641191      2.12677512
  O      7.59765263     -3.71506724      0.54840017
  H      4.97494524     -4.20380687      2.58939175
  H      5.06330932     -1.91040910      5.41011990
  O      3.95249146     -1.22472197      1.00818898
  H      6.95593934     -4.02716364      1.20437495
  H      4.12475869     -2.02488272      4.16846521
  O      6.78658863     -1.11939593      0.57121179
  H      7.92829219     -4.49364155      0.08542216
  H      9.10763636      1.39076433      1.52451973
  O      8.69955809     -6.14068274     -0.34254775
  H      4.86976815     -1.25266662      0.71177936
  H      9.36803302      2.91418340      1.54528624
  O      8.63242885     -1.56759403      7.07776148
  H      3.75651726     -0.29276482      1.16639694
  H      6.46910741     -3.65925500      5.96107676
  O      6.27241621      1.65157452      0.41178462
  H      7.04093851     -2.02892226      0.35998172
  H      6.91878208     -2.44049038      6.77891202
  O     10.44768721     -5.70986011      1.68914779
  H      6.84135804     -1.03833418      1.53913018
  H      8.04554276     -3.96432924      4.59766029
  O      4.70787022      1.39695989      4.13654475
  H      9.10727107     -6.49142464     -1.12916617
  H      7.94566756     -5.51095688      4.50729842
  O      3.76985861      1.57434021      1.45312600
  H      9.40567962     -6.03749110      0.32171921
  H      9.16239138     -3.16730653      1.45727777
  O      9.50615376     -0.23635295      0.96724528
  H      9.15936328     -1.67239522      7.86563260
  H      9.76888519     -2.76290514      2.83044665
  O      3.44948691     -3.15661134      2.81595676
  H      8.40601660     -0.62330840      7.01587253
  H      9.02964609     -2.13560722      5.34783869
  O      4.62748149     -1.40302557      4.70768770
  H      7.07062403      2.00296335      0.82273390
  H      8.28713903     -1.90464954      4.00806338
  O      8.72222296      2.25005481      1.77219177
  H      6.44380691      0.71000407      0.27570737
  H      9.03481883     -7.80463791      4.13228477
  O      6.13467826     -2.89687696      6.45141545
  H     10.48086340     -4.75283337      1.82012467
  H      8.16948609     -7.11995379      3.04688812
  O      7.43820764     -4.71227759      4.69654419
  H     10.03550767     -6.08516547      2.47662514
  H      6.45091325      1.71557860      4.13095482
  O      9.98638444     -2.91672745      1.89933426
  H      4.55528480      0.48577853      4.42132410
  H      7.82810475      2.00296560      3.39760783
  O      8.98840844     -2.42723145      4.42912413
  H      4.29481642      1.48303771      3.26869104
  H      7.81633777      1.30309124      5.89096963
  O      8.83547386     -6.95868837      3.73964240
  H      3.19405515      2.21969952      1.05165969
  H      7.31985530      1.57859569      7.31638602
  O      7.41893504      1.65326208      4.19723974
  H      4.65152922      1.69957368      1.05778787
  H      6.42028638     -6.36758368      1.92199865
  O      7.93354624      1.04278514      6.81905077
  H      8.64923732     -0.51105901      0.61971847
  H      7.47245552     -6.90720898      0.92821163
  O      6.99489813     -7.12341102      1.73910564
  H      9.90567035     -1.05021551      1.29590525
  H      7.20454910     -0.05169112      3.58407351
  O      6.96985937     -0.94735110      3.30624319
  H      2.55324677     -3.47494848      2.74832115
  H      6.13755096     -1.16261558      3.74905378
          69
 Energy    -248.38708692922006     
  O      1.06012346     -0.93402674      5.36161243
  H      1.55388536     -0.83514582      6.17233928
  H     -6.51778501     -1.63128597      4.19863061
  O      2.15975572     -0.16680079     -2.45882277
  H      0.62386513     -0.07954570      5.19657175
  H     -2.90626208     -1.06974087      5.21529693
  O     -1.56243409     -2.18643114      5.54801835
  H      1.93929548     -1.10558076     -2.41933332
  H     -3.43254417      0.40799597      5.13202230
  O      0.10955724      0.72098141     -0.72860606
  H      1.41601373      0.28706478     -2.03880065
  H      1.30135072      2.18916822      2.16246751
  O      1.49231973     -2.88366248     -1.77707227
  H     -1.64192057     -2.94920726      4.96147491
  H     -0.12052192      2.75596660      2.04374909
  O      3.18773486     -2.41817283      0.30839675
  H     -0.64968635     -1.88298915      5.48913044
  H     -1.73099515      1.32561431      1.54538517
  O     -3.79844670      2.57290546      2.65506534
  H     -0.30053427     -0.15396929     -0.69934757
  H     -1.10332952      1.81069057      0.23184301
  O     -4.05571683     -3.30793774      2.18822448
  H      0.77019058      0.74519224     -0.02027397
  H     -2.53481424     -0.26225569      3.22355208
  O     -0.28334600      1.34230339      4.70893686
  H      1.74467816     -3.68874419     -2.22132019
  H     -1.12821659      0.34293956      3.38379618
  O      4.13910951      0.11909705     -0.61361037
  H      2.08663393     -2.78916773     -1.01088757
  H     -0.73911990     -2.18671037      0.28260301
  O     -4.91048071      0.24732196      1.62292907
  H      2.87870381     -2.25047859      1.20724193
  H     -0.16847009     -2.31297572     -1.14877519
  O     -5.75061268     -1.59166541      3.63477322
  H      3.66388768     -1.62151330      0.04074386
  H      1.10492323     -1.96703126      2.43488586
  O     -3.62036965     -0.50409681      4.88186057
  H     -4.29999210      1.82000404      2.30783499
  H      1.81329953     -1.39466222      3.67256452
  O      0.66152699      2.75838033      2.61173157
  H     -3.08511063      2.70579165      2.01793126
  H     -3.25518388      2.40430877      4.27962921
  O     -1.58748791      2.11879643      1.00754901
  H     -3.90483036     -2.82281600      1.36821134
  H     -3.25760318      2.91609729      5.74067612
  O     -1.70357099     -0.11699945      2.75707009
  H     -4.72419273     -2.81179919      2.67817961
  H      2.90113786      0.68572384      0.68476604
  O     -0.89236776     -1.92759016     -0.64003814
  H      0.11618044      1.93618354      4.05225946
  H      2.07641875     -0.00318237      1.80269428
  O      1.94124223     -1.57897015      2.73500196
  H     -1.12705152      1.72222867      4.98255360
  H     -2.75661636     -3.96191741      3.10628927
  O     -2.92702620      2.21989773      5.17998332
  H      4.93654399      0.51335935     -0.95532096
  H     -2.01828557     -5.19102148      3.69378065
  O      2.12660169      0.78940034      1.25074670
  H      3.50646999      0.07201214     -1.35296569
  H     -0.98045207     -1.63607226      2.27802476
  O     -1.96018119     -4.24512650      3.59314236
  H     -5.34369399     -0.35721056      2.23718842
  H     -0.94064921     -3.17585790      2.51235105
  O     -0.54341014     -2.45934602      2.00402980
  H     -4.42158038     -0.30695654      1.00446981
  H     -2.67975913     -1.74333408     -0.38828129
  O     -3.61550544     -1.68664582     -0.14001611
  H     -5.02981071     -1.20034445      4.16190486
  H     -4.11159305     -1.78030461     -0.95108377
          69
 Energy    -248.38704381067771     
  O     10.41044235     10.76051792     -9.68550801
  H     10.85776112     10.71029706     -8.83097050
  H     11.70271259     12.59988257    -12.01801367
  O     13.39218855      8.99411488    -17.17024437
  H     10.80293079     11.50984453    -10.14643925
  H     14.23756856     13.16722041    -13.89418503
  O     10.18959743      8.49886164    -11.14995763
  H     13.35582851      9.96757651    -17.17967467
  H     14.60104885     11.68782168    -14.13319797
  O     13.96573579      8.52755237    -14.45035673
  H     13.75771529      8.72290582    -18.00788915
  H     16.60069034      8.61170185    -10.34019440
  O     13.18768148     12.93241597     -8.46453048
  H      9.35103813      8.07026223    -11.00217827
  H     16.41838531      9.04250848    -11.81241178
  O     13.11728440     11.69618221    -17.02953527
  H     10.19556005      9.31018177    -10.61037283
  H     15.28030574      7.17930959    -11.84427871
  O     11.45228971      9.27763233    -13.53170759
  H     13.09495833      8.74397759    -14.08276313
  H     14.31683337      7.22315150    -13.04942979
  O     13.85809810      8.76583103     -7.87679573
  H     13.87483256      8.57915046    -15.40905130
  H     13.64723497     13.74784422    -11.80798813
  O     13.74610158     10.47899217    -10.88061259
  H     14.09965768     12.66209557     -8.64384248
  H     15.18331248     13.66775643    -11.97546796
  O     11.95169090     10.82010744     -7.28686463
  H     12.77052613     13.07737954     -9.32151531
  H     13.32740390      7.43337616    -10.94412874
  O     16.72297546     12.44125356    -11.72031743
  H     12.17925984     11.88963084    -16.91434033
  H     11.89223212      7.94596328    -10.56592798
  O     12.09713493     12.64161932    -11.13623707
  H     13.56041846     12.05569731    -16.24891128
  H     12.36774966     12.20107394    -14.05978166
  O     14.12324909     12.43281957    -14.51543850
  H     11.42036138     10.24407742    -13.52893995
  H     10.92090716     12.12648361    -14.59496542
  O     16.64689582      8.29526921    -11.25066538
  H     10.98262588      8.96769015    -12.74863297
  H     16.03356728     10.95159708     -8.88621584
  O     14.43732317      6.83566619    -12.17486636
  H     13.22072775      9.43024407     -7.59115418
  H     16.12654729     12.04938254     -9.99049166
  O     14.38596000     14.07569108    -12.33345879
  H     13.45809887      8.32213002     -8.63913887
  H     15.07013116      9.66707645    -13.60822473
  O     12.81288339      7.92408845    -10.28405629
  H     14.31925744     10.80518472    -10.17464710
  H     14.78390455     10.40365964    -12.27845472
  O     11.44687019     12.07521667    -13.78705860
  H     13.41662336      9.60437082    -10.63573943
  H     10.34032801     10.87579745    -16.36697180
  O     15.61925889     11.75871621     -9.22189243
  H     11.61107218     11.04003692     -6.42330617
  H      9.54235906     12.11363456    -16.84627794
  O     15.41249055     10.35485415    -13.01877086
  H     12.40098233     11.61645582     -7.62169667
  H     17.02557526      8.80158634     -7.87529779
  O     10.31032185     11.84944373    -16.34740745
  H     16.39329789     11.71448204    -12.27238439
  H     15.52794339      8.99625067     -8.21840534
  O     16.43590932      9.20965616     -8.50369464
  H     17.58603132     12.67193929    -12.05698130
  H     10.82597661      9.04563568    -15.28599159
  O     10.67504340      9.15465479    -16.23516011
  H     12.65059227     11.84583749    -11.05694000
  H     11.52034818      8.95105434    -16.65402352
          69
 Energy    -248.38701759146011     
  O     -6.23658490      3.81056456     -1.86223882
  H     -6.14644945      3.25518782     -1.06948997
  H     -4.40068542      0.21428016      2.19247473
  O     -1.69597769      3.70022011     -3.44509451
  H     -7.06891050      4.27062977     -1.78164116
  H     -0.75087541      0.64300709      2.28519630
  O     -5.56139490      2.20520305      0.26544139
  H     -2.32421057      4.08808163     -2.81057165
  H      0.32946262      1.66442918      2.68564137
  O     -3.35170612     -0.92275119      1.12506481
  H     -1.62120284      4.31987984     -4.16648723
  H     -1.99453785      3.55430980      0.70679615
  O     -0.10814071     -0.35488430     -1.35490250
  H     -5.53546499      1.80039512      1.14594642
  H     -0.95201708      2.53239464      1.24602848
  O     -3.11581496      1.22948892     -3.37982082
  H     -4.75876246      1.89360115     -0.18524104
  H      2.36637183     -1.17671672      1.01729752
  O     -4.41912467     -2.24089990     -1.09752094
  H     -3.68334656     -1.52746126      0.44757429
  H      2.69518958     -1.99532307      2.28994374
  O     -2.22232880     -1.36880872     -2.76676021
  H     -2.41125098     -1.10358366      1.26092505
  H      2.30329104      1.84507610      1.34832553
  O      0.21323716      2.46337552     -1.75919929
  H     -0.06172779      0.57687302     -1.59845610
  H      2.18701853      0.60358088      2.25087693
  O     -0.59815933     -0.92010406      1.30620875
  H     -0.80042889     -0.77021416     -1.89008523
  H     -4.95475861      1.35950216     -3.61766663
  O      2.57418322     -0.68902174     -0.64487198
  H     -2.60947915      2.02107562     -3.59081830
  H     -6.06483395      2.30521269     -3.11981607
  O     -4.90293843      0.94685802      2.57736674
  H     -3.15398778      1.19525235     -2.40993079
  H     -2.82139062      3.02272156      4.53446353
  O     -0.62768846      1.51032555      2.69442305
  H     -5.10836331     -1.56200275     -1.21371765
  H     -2.07372399      2.31177966      3.38591739
  O     -1.23548651      3.01263770      0.45643822
  H     -4.84094117     -3.08528077     -1.23398290
  H     -6.28311956      0.42583400     -0.65501040
  O      2.12792490     -1.30731425      1.95350259
  H     -2.95947516     -1.72545985     -2.25757149
  H     -6.20809589      0.24359828     -2.17484304
  O      2.05595912      1.56070430      2.23636776
  H     -2.55165604     -0.56321301     -3.18805051
  H     -2.45453045      1.83123552     -0.28640745
  O     -5.91274268      1.43422852     -3.50300864
  H     -0.23796716      2.72822955     -0.94094678
  H     -3.17553580      0.47128820     -0.05476692
  O     -2.89854543      2.77060686      3.61720616
  H     -0.29703379      2.86546618     -2.47101197
  H     -3.49150903      4.79217289     -0.72183014
  O     -6.23895618     -0.24654356     -1.33852844
  H     -0.45954020     -0.71649605      0.36785500
  H     -4.46809105      4.47667979     -1.86246076
  O     -3.14946600      1.25303146     -0.62224231
  H      0.26005461     -1.19638711      1.64911086
  H     -3.43329428      3.86071846      2.13102973
  O     -3.54584102      4.69921707     -1.67777013
  H      2.80103109      0.24877112     -0.66431245
  H     -4.36729613      3.61046796      0.94123981
  O     -3.64041683      4.17177111      1.23902296
  H      1.68435438     -0.73727790     -1.02343982
  H      1.86552505      2.32203064     -1.03765893
  O      2.68271938      2.17493766     -0.53427572
  H     -4.26212310      1.49797859      3.04089452
  H      3.31540562      2.81555620     -0.85058622
          69
 Energy    -248.38688119142125     
  O     -8.31819274     -2.44388926      5.46100463
  H     -8.93508095     -1.72469186      5.28566775
  H     -2.98499709      1.33771644      2.18777249
  O    -10.34078836     -2.04018123      2.25098617
  H     -7.51326707     -2.03852761      5.80770642
  H     -7.22445189     -0.54244314      2.85547594
  O     -8.38059479     -3.91283749      3.18929460
  H     -9.76160265     -2.77075753      2.50163245
  H     -7.22794106      0.61502975      3.92539604
  O     -5.41846083      1.00312903      0.15640737
  H    -10.43957725     -1.50702552      3.04677308
  H     -5.36790469     -1.24081202      5.51915927
  O     -6.81571295      1.37426057      5.54845611
  H     -8.45297699     -4.84999196      3.34744477
  H     -5.37542195     -1.45570819      7.05377131
  O     -4.66153553      5.46338550      1.18680919
  H     -8.34245736     -3.47945451      4.06155797
  H     -0.73427850      2.59004155      1.66607047
  O    -10.29953133      1.98855836      0.27556077
  H     -5.75539870      0.16533311     -0.18008358
  H     -1.98904764      3.29826349      2.23376070
  O     -4.56125948     -1.30293951      4.00727524
  H     -6.19954463      1.49744878      0.44867088
  H     -8.13952122      2.65490457      4.99328421
  O     -3.77511586      3.28427387     -0.18632975
  H     -6.04011074      1.87493428      5.25097682
  H     -8.10452283      3.78317689      3.95557086
  O     -9.98145289     -0.24188293      4.51350421
  H     -6.49770139      0.56715186      5.97081187
  H    -10.08014051      2.61154048      3.46039923
  O     -6.80013247     -1.38560760     -0.50549606
  H     -4.38615327      4.71238749      0.63087759
  H    -10.83073126      1.27681805      3.35754083
  O     -3.80304506      0.89489233      2.44544775
  H     -4.61898042      6.24201968      0.63821140
  H     -7.11057334     -2.80835209      2.42435341
  O     -7.66634748      0.26862790      3.13603618
  H    -10.95061867      2.47614104     -0.22095975
  H     -6.54833890     -1.96311885      1.23370905
  O     -5.91715318     -1.17159322      6.32252596
  H    -10.53954545      2.07431334      1.21622882
  H     -9.74762852     -1.19106075      0.74961026
  O     -1.68704831      2.57723832      1.65226464
  H     -5.14301011     -1.72636743      3.36062359
  H     -9.73081782      0.17050728      0.01458019
  O     -8.70856968      3.24134499      4.47956647
  H     -4.16555135     -0.55666396      3.53916416
  H     -3.44689974      4.00079155      3.75715726
  O    -10.75065359      2.13882693      2.94239515
  H     -2.97488590      3.02107042      0.28518643
  H     -3.40685174      4.98858489      2.57968402
  O     -6.49069987     -2.10693316      2.18658457
  H     -4.32818886      2.49344141     -0.22916560
  H     -4.51579828      2.10752647      3.61614922
  O     -9.34979947     -0.71383197      0.00715389
  H     -9.19810457     -0.01646344      3.97900255
  H     -5.50509698      3.30824222      3.72099369
  O     -2.84247161      4.50010052      3.19242867
  H    -10.01378752      0.39035843      5.23052498
  H     -8.52435372      2.22811631      0.72686617
  O     -4.86626753      2.77763901      4.22082431
  H     -6.77850129     -1.90314544     -1.30565234
  H     -7.73991594      1.52315619      1.86488926
  O     -7.66829311      2.19589946      1.16884607
  H     -7.72946757     -1.12225405     -0.36574778
  H     -7.05618060      3.58804545      2.10416016
  O     -6.69470315      4.24899863      2.71477102
  H     -4.36465262      0.86485863      1.65825413
  H     -6.08509588      4.79359187      2.20213843
          69
 Energy    -248.38683329171818     
  O     13.51530773     14.34005333    -11.36421692
  H     13.45486741     14.56219451    -12.30912926
  H     12.03318073     12.22916786    -14.49149112
  O     13.58012288     12.13294627    -17.30023726
  H     13.01734734     15.00871423    -10.89993261
  H     12.45572966     13.13798518    -16.40063573
  O     15.02659677      8.60626007    -12.35051206
  H     13.42441066     11.22742635    -17.00043159
  H     11.08596911     13.85334268    -16.34072875
  O     18.10038505     14.37720782    -13.00616852
  H     14.53087117     12.27700223    -17.23774714
  H     18.52871511     12.57971805    -13.43351740
  O     13.08804343      9.66943799    -15.97123707
  H     14.86520691      7.65792774    -12.27857259
  H     18.06611628     11.20424698    -12.90871085
  O     14.27777785      5.89716048    -12.50692950
  H     14.18452152      9.04923552    -12.17107949
  H     13.11480747     11.02545710    -10.67756083
  O     14.42474649      6.17240338    -15.20723224
  H     18.71497804     15.06901846    -12.77769343
  H     13.41770330     12.55126607    -10.66928019
  O     15.00506268     11.89691469    -13.56458990
  H     17.48679570     14.28832935    -12.25317191
  H     12.19464487      8.13750722    -15.85841694
  O     12.51319329      9.73839956    -11.88180570
  H     13.97935691      9.38533103    -15.72095679
  H     11.13516660      7.11664937    -16.33184815
  O     15.56034345      8.75424991    -15.10539948
  H     12.77434161     10.25875297    -15.26919443
  H     15.14151015     11.71039537     -9.58316622
  O     17.75480877     10.42845057    -15.86228215
  H     14.53779036      5.03649759    -12.19114171
  H     16.16505327     11.57402091     -8.42751397
  O     12.38428088     11.48067704    -13.99890832
  H     14.37077712      5.88348951    -13.47653759
  H     16.79989469     14.36336111    -14.32518518
  O     11.83402583     13.59743347    -15.80830752
  H     13.52304181      6.39977041    -15.46832574
  H     16.22538951     13.75347425    -15.64889326
  O     18.56642055     11.63485987    -13.61922957
  H     14.93680088      6.98744760    -15.30313124
  H     16.67446971     10.92525227    -10.88632419
  O     13.53650665     11.73188270    -10.17217198
  H     15.37470580     12.70414925    -13.93921518
  H     16.29226493      9.79377273    -11.88472326
  O     11.82182676      7.25632758    -15.68502186
  H     15.63735197     11.57126681    -12.91599977
  H     14.35241656     14.88516745    -14.34240118
  O     16.08994731     11.76363641     -9.35787089
  H     12.32501505     10.35366666    -12.60567728
  H     12.85551821     14.64033790    -14.62439413
  O     15.99798760     14.24630395    -14.85122419
  H     12.10480505      8.89205751    -12.11368006
  H     11.65470888      7.23303628    -13.75747558
  O     16.85575264     10.57129931    -11.76568274
  H     15.42559883      8.79517102    -14.14736070
  H     12.49913443      6.69372819    -12.59359342
  O     13.46449911     15.03282694    -13.98777138
  H     16.30122652      9.32980319    -15.32174256
  H     15.39101596     14.23534011    -11.14831136
  O     11.73651424      7.24915301    -12.79611694
  H     18.48039157      9.90043462    -16.18582478
  H     16.37262671     13.35859431    -10.35649702
  O     16.33158062     14.08471533    -10.98999973
  H     18.07007887     10.87104229    -15.05216548
  H     16.87552546     11.77793742    -16.67792072
  O     16.43203373     12.54474538    -17.07394024
  H     13.32272935     11.67286701    -13.81861022
  H     16.89445966     12.74010692    -17.88613516
          69
 Ord_Energy   -248.386673    
 O    6.94592571       1.42623997       10.5195122    
 H    6.73431921       2.36500502       10.6200771    
 H    6.55683041       1.15743625       9.67289925    
 O    9.44176769       1.79374385       9.38529301    
 H    9.54338932       1.02661693       8.81149101    
 H    8.67409420       1.58543611       9.93799496    
 O    4.48704147       3.48351049       8.44028950    
 H    3.52876687       3.46177411       8.57616234    
 H    4.80353546       2.57535982       8.32502365    
 O    2.32214451      -2.16001987       7.49190903    
 H    1.69638991      -2.82175064       7.21164370    
 H    2.52979302      -2.34343839       8.42685413    
 O    5.06874561      0.172020227       12.0223007    
 H    5.81750870      0.573841155       11.5528975    
 H    4.29551697      0.261153430       11.4446917    
 O    9.25052643     -0.563501179       7.77942991    
 H    8.53291702      -1.07967174       8.18950748    
 H    9.95861626      -1.17717683       7.60217762    
 O    4.34967995       3.02467275       12.3912268    
 H    4.68335724       2.12611318       12.4923954    
 H    5.00359631       3.50699353       11.8698645    
 O    1.77077579       2.71296191       11.5807333    
 H    1.17170990       2.93235326       12.2889824    
 H    2.66803932       2.92139173       11.8968725    
 O    5.02121401      -1.53068674       7.04320192    
 H    5.17440414      -1.21749222       6.14246798    
 H    4.09935331      -1.80744505       7.10627174    
 O    1.78293204       3.25598788       8.77791500    
 H    1.64372063       3.13333249       9.72564411    
 H    1.71671903       2.38241053       8.36864281    
 O    5.65264797     -0.235889524       4.62164307    
 H    5.90807676     -0.467448562       3.73290443    
 H    6.42534351      0.187352166       5.03758860    
 O    2.79230547      0.373704106       10.4123888    
 H    2.32394409       1.09023845       10.8579216    
 H    2.71226478      0.539412677       9.46296024    
 O    6.21370745       4.11187601       10.4868050    
 H    7.03627777       4.36002779       10.0469694    
 H    5.55771685       4.00167179       9.77985668    
 O    2.28898501      0.692323864       7.67176485    
 H    2.14122772     -0.246693179       7.51400948    
 H    2.75678611       1.03810251       6.89594698    
 O    8.61470222       4.35166073       8.95162964    
 H    9.33638000       4.96628523       9.06049919    
 H    8.98838997       3.46113849       9.08076286    
 O    7.76401472       3.61195803       6.30658150    
 H    7.99575901       3.95936823       7.17581272    
 H    6.87024355       3.91714644       6.10491705    
 O    5.68381310      -2.40461135       11.2257738    
 H    5.94506550      -2.96904922       11.9497852    
 H    5.50070953      -1.53156388       11.6103868    
 O    7.65417290      0.930306911       6.02111912    
 H    7.82991743       1.88347423       6.06423950    
 H    8.30432129      0.458463430       6.55576706    
 O    3.66623235       1.65124106       5.47214556    
 H    4.30115795       1.03292191       5.09136200    
 H    4.10688400       2.50806856       5.49202776    
 O    5.71674109       1.00332248       8.09047508    
 H    6.39736986       1.11527908       7.41435719    
 H    5.29131031      0.162505314       7.88563299    
 O    7.16532278      -1.98665822       8.78482056    
 H    6.75510645      -2.15165138       9.64058495    
 H    6.43719864      -1.94113708       8.14922428    
 O    3.02747655      -2.38528085       10.0855160    
 H    2.83273029      -1.46853077       10.3294334    
 H    3.91554689      -2.55774951       10.4173632    
 O    5.01309443       4.21160412       5.87604046    
 H    4.55839300       5.00806618       5.61239624    
 H    4.79910517       4.06595278       6.81431961    
          69
 Energy    -248.38660586205452     
  O     12.50724163     11.80947852    -14.77506196
  H     12.77523264     11.10397906    -15.38126108
  H     19.19699961      7.88514087    -12.98122135
  O     15.19879764      6.37441277    -13.77565767
  H     11.94386736     11.39627050    -14.11092062
  H     17.22079759     11.38124514    -15.80039375
  O     16.95007165      9.91503969    -10.74655838
  H     15.91703745      5.96784629    -13.27549981
  H     16.01502377     12.35123655    -15.71861326
  O     18.15186948     10.06000596    -14.86990855
  H     14.53881142      6.67984434    -13.13547686
  H     16.45556682      9.32583636    -14.64165383
  O     12.25296802      7.34576357    -15.99859084
  H     16.43824489     10.40789069    -11.40615454
  H     15.53161471      8.14347186    -14.19156483
  O     14.91927425      9.52973112     -8.90086082
  H     16.40717586      9.92156953     -9.94643488
  H     11.02973176      9.48384664    -13.07824526
  O     13.62333027      7.39080563    -11.75269155
  H     18.56082423      9.34374033    -15.37401451
  H     10.03308187     10.58004876    -12.63459085
  O     15.31156923     11.10513408    -12.59088409
  H     18.53437901     10.03687903    -13.98427883
  H     16.53861130      6.52828808    -10.88712813
  O     16.66778492      7.66021508    -17.42244168
  H     12.59960264      8.22886877    -16.18956629
  H     16.41406742      8.04481289    -10.61513023
  O     19.03264179      7.73921506    -16.15853900
  H     12.96925614      6.74707603    -16.23344546
  H     12.02051961      7.46443968    -12.85163871
  O     14.69764759      5.85821713    -16.41637431
  H     15.02892381      8.57671060     -8.97377172
  H     11.58962079      7.58772919    -14.33546027
  O     19.09094834      7.02384136    -13.40375640
  H     14.20232873      9.75602630     -9.51051638
  H     18.43357444      9.73131752    -11.65406423
  O     16.59508321     11.88841916    -16.33489561
  H     14.39067257      7.19530743    -11.19675756
  H     19.93267754     10.05276566    -11.84173638
  O     15.55142868      9.08418609    -14.40224727
  H     13.41490463      8.31804472    -11.57217581
  H     18.00939259      5.94982074    -12.62795441
  O     10.95566972     10.41954824    -12.81354182
  H     15.32131755     10.36625492    -13.21945649
  H     17.69684368      4.55257125    -12.03361074
  O     16.03274278      7.18505844    -10.39344912
  H     15.20884509     11.90750559    -13.11468719
  H     15.98565731     10.85082811    -17.58908521
  O     11.33883249      7.82369301    -13.43001019
  H     15.94507311      7.07599382    -17.16316373
  H     15.62749546     10.60995747    -19.07596220
  O     19.18537874      9.63611223    -12.26377846
  H     16.27457101      8.48283923    -17.73803407
  H     13.87861187     10.54355677    -11.60801753
  O     17.31752819      5.41028120    -12.20349471
  H     18.18599626      7.65509985    -16.63474058
  H     12.35330340     10.28993491    -11.57090122
  O     15.61559434     10.20142960    -18.21476641
  H     19.72283949      7.57276920    -16.79477590
  H     13.94856507     12.72418133    -14.57652922
  O     13.17954862     10.09348868    -11.11238032
  H     14.86205145      5.97152859    -15.46440487
  H     14.67551412     14.07861527    -14.38744372
  O     14.82212186     13.13854564    -14.44552447
  H     14.67201462      4.91839968    -16.58059871
  H     14.14091967      9.93438369    -17.08158694
  O     13.61848310      9.75966787    -16.29064819
  H     19.09497223      7.18160089    -14.35585231
  H     14.25871499      9.51161628    -15.60645986
          69
 Energy    -248.38657560097124     
  O     12.31227429     10.31487373     -9.62586739
  H     12.40522778     11.26826709     -9.44739912
  H     11.56909897      7.91746555    -16.24804542
  O     14.93419068     11.47972443    -12.96989395
  H     11.95398388      9.91857652     -8.83580879
  H     12.40217557     12.60636073    -14.99935479
  O     15.03157923     13.99391182    -15.79031151
  H     15.57178619     12.19341036    -13.10908075
  H     11.60673214     12.30774215    -16.28052497
  O     15.65109190      8.14197109    -11.91085081
  H     15.03613631     11.12716088    -12.07801804
  H     16.85004039     12.19884003    -18.24840844
  O     11.47435540      9.92799801    -12.28055383
  H     15.56435203     13.46426781    -16.39692877
  H     15.71173153     11.57470515    -17.41070052
  O     10.08367720     11.25158892    -16.61563449
  H     14.12178005     13.69950558    -15.91156248
  H     12.07646262     15.28477205    -11.81245964
  O     14.13017923     10.76467988    -17.15986853
  H     14.83756178      7.94139034    -12.39049813
  H     12.46523990     13.82926765    -12.15810008
  O     15.68544819     12.69373937     -9.17062884
  H     16.32213449      8.34965747    -12.57266781
  H     17.63153923     12.23162234    -14.34223323
  O     12.39782574     12.38277857    -13.19414748
  H     12.10006958      9.28074415    -12.63830504
  H     17.52805382     11.62900600    -15.75052888
  O     15.03095083      9.55734466    -14.90661024
  H     11.66397513     10.01414270    -11.33875736
  H     14.53323654     14.70651021    -11.36967460
  O     12.84016885     12.92974788     -9.20758446
  H      9.93299444     10.70185152    -15.82539685
  H     15.63519301     14.03829160    -10.52780686
  O     11.34627732      7.33229413    -15.50177557
  H      9.22401028     11.50165353    -16.94360487
  H     12.57384260      7.66872148    -14.10838072
  O     12.44919629     12.65845639    -15.96476414
  H     14.45384140     10.25274058    -16.40081294
  H     13.80710827      8.58774471    -14.05184519
  O     16.53506875     12.08758451    -17.35465706
  H     13.55069729     11.44969679    -16.79514288
  H     18.35147549      8.41075658    -14.20920788
  O     12.60950000     14.54907432    -11.52155817
  H     16.37364577     12.60420944     -8.51623006
  H     17.75198576      9.83401533    -14.24868682
  O     17.89565160     11.46798458    -14.87312139
  H     15.57797213     11.82114491     -9.58527835
  H     11.17899902      9.84288760    -17.33723879
  O     15.49017119     14.63324083    -11.27362629
  H     11.91680655     11.59669192    -12.90560632
  H     12.68053516      9.59291508    -17.52782895
  O     13.19673321      8.07967929    -13.49591097
  H     13.33576873     12.13866607    -13.13751351
  H     16.05613563     13.87127942    -14.29989275
  O     17.56552813      8.90927238    -14.00254137
  H     14.97993320     10.28708534    -14.26770330
  H     16.32024562     14.07954693    -12.76922822
  O     11.82825020      9.14232708    -17.47798382
  H     15.90984309      9.17728908    -14.78903227
  H     10.19865481      8.71944329    -14.81214814
  O     16.60245085     13.58415543    -13.55160194
  H     13.79209428     12.96228158     -9.04858556
  H     10.23359984      9.72994370    -13.65703446
  O      9.81631863      9.55284200    -14.51023764
  H     12.67145284     13.54948467     -9.92862833
  H     14.12492393     10.21541391    -10.13829016
  O     15.04480513     10.32784157    -10.40951628
  H     11.05241536      6.50752642    -15.87934558
  H     15.32948373      9.50076012    -10.82747623
          69
 Energy    -248.38628334084518     
  O     11.41399930      8.45077408    -13.46502315
  H     10.51508068      8.22755355    -13.23919217
  H     16.27969844      6.52545502    -16.41486186
  O     17.21986964      8.06311814    -14.00327790
  H     11.64227977      9.25090868    -12.95810261
  H     18.26301953     11.62160221    -15.35218680
  O     17.07156410     11.49227676    -11.30007982
  H     16.48228069      8.66812362    -14.17514717
  H     19.69590054     12.20314309    -15.37757502
  O     15.10152272     13.22304596    -15.15632800
  H     17.35845564      7.57771616    -14.82778105
  H     13.49788161     12.72601447    -14.76014865
  O     14.46725406      5.99623606    -16.18216514
  H     17.69279579     10.94887376    -11.80766059
  H     12.01460060     13.15290869    -14.75800969
  O     15.68730318      9.39554350     -8.70041138
  H     17.38736809     11.50246843    -10.38844498
  H     14.93946821     10.07506886    -13.41893328
  O     15.63212784      7.38756316    -11.86617200
  H     15.71980017     13.44872104    -14.44555785
  H     14.31687549      9.72268842    -14.79409870
  O     14.77919498     10.00212785    -11.46914392
  H     15.60696018     12.65660156    -15.74940715
  H     19.17548903      9.19722433    -11.05492714
  O     16.50688075      9.19163161    -18.18420132
  H     14.17009568      5.10888442    -16.36609065
  H     18.87916834      9.63956361     -9.60383229
  O     17.15146233      7.08984843     -9.54334381
  H     14.16539143      6.20794288    -15.28123263
  H     12.83844389      7.20364060    -13.54882265
  O     16.77532714     11.13553568    -16.18595343
  H     16.08320136      8.53361401     -8.88790499
  H     14.23119841      6.82028138    -12.98564455
  O     17.15636337      6.92708933    -16.48297044
  H     15.15083759      9.61327666     -9.46957989
  H     17.85945220     13.12061077    -13.77024597
  O     19.01291456     11.88672846    -14.79180144
  H     16.12465430      7.14280443    -11.07357290
  H     17.02542653     12.93869290    -12.50051350
  O     12.59341562     12.41898426    -14.56879453
  H     16.27539429      7.48696775    -12.58480974
  H     18.36184626      9.21117948    -13.21830285
  O     15.15365477      9.86045807    -14.33250285
  H     15.56827045     10.56015863    -11.39095024
  H     19.05607731     10.57963616    -13.44538296
  O     19.10254205      8.87379829    -10.14738909
  H     15.05733703      9.08081921    -11.58481079
  H     18.00962103     11.50149802     -7.84746716
  O     13.60207251      6.63268933    -13.69329979
  H     16.64408437      9.19720575    -19.12770539
  H     17.08125777     10.48004422     -8.55074256
  O     17.12162719     13.50136329    -13.27968371
  H     15.57505210      8.94356284    -18.03868455
  H     14.07971849      7.53370891    -17.18109624
  O     18.83757298      9.92590706    -12.76944137
  H     17.50453443      6.34366660     -9.06675405
  H     13.43939484      8.92964622    -17.02988413
  O     17.88536276     11.01851938     -8.65965506
  H     17.90578338      7.66185887     -9.77463195
  H     12.36471962     11.40891138    -12.95548017
  O     13.99727560      8.39553412    -17.61020986
  H     16.74507460     10.52889270    -16.93596032
  H     13.07910597     10.56579024    -11.86400910
  O     12.22113081     10.73838943    -12.27575266
  H     16.21585224     10.74618578    -15.49686783
  H     12.54614314     10.73267104    -15.36326524
  O     12.64930304      9.80309603    -15.60832565
  H     17.06324739      7.65952193    -17.10376132
  H     12.12375638      9.28533955    -14.98457393
          69
 Energy    -248.38627440308102     
  O     11.26884635     10.25619765     -8.96108466
  H     11.23044203     10.84303768     -9.73724305
  H     13.37925646     11.87995398    -15.08447269
  O     12.46021434      8.32407448    -16.96900703
  H     10.44961518     10.36749787     -8.48658683
  H     16.19873860      6.72089362    -12.81785999
  O     12.33861057      8.21025104    -10.62387728
  H     11.67293015      7.91967701    -16.58161087
  H     15.16111369      7.67569957    -13.43162751
  O     13.93102717      8.17718568    -14.66087224
  H     12.20746390      9.22984619    -17.18445719
  H     13.13887267     14.22546667    -10.27746014
  O     14.24492947     13.58604517     -8.78190851
  H     13.27855978      8.40778057    -10.53999440
  H     12.00290970     13.56000486    -11.06274580
  O     11.53089154     11.03771303    -17.36803243
  H     11.89342910      8.78290928     -9.98737722
  H     14.66618392      9.98937405    -11.11718508
  O     11.57696555      8.48302059    -13.23302242
  H     13.15184479      8.25155075    -14.08974833
  H     15.33582157      8.58875407    -11.28766710
  O     14.06188483     11.45001343    -11.96399730
  H     13.58582736      8.14572845    -15.56464550
  H     18.10155784     11.69933221    -14.51124057
  O     13.99471271     10.88988013     -8.49590421
  H     14.15631920     12.62697143     -8.63886734
  H     16.91219126     12.49791526    -13.92367389
  O     16.06329032     13.98432655    -13.57594181
  H     14.33386245     13.98372861     -7.91982809
  H     11.29405555     11.58981252    -14.19940560
  O     11.43411403     11.78015896    -11.20777674
  H     11.56756948     11.53923125    -18.17922354
  H      9.98799167     10.77996431    -14.39258322
  O     12.59315389     12.43259730    -15.21853890
  H     11.90141467     11.60687756    -16.67436587
  H     16.57061282     12.53609604    -10.83314067
  O     15.74493093      7.54655997    -12.66787823
  H     11.78260676      8.33216334    -12.29917158
  H     15.52785897     13.46272711    -10.10387930
  O     12.58215066     14.33423068    -11.05659553
  H     11.27748215      9.39630822    -13.33331246
  H     15.64727530     10.96699427    -14.50484828
  O     15.04691371      9.24056871    -10.63026026
  H     14.25593275     11.26665725    -12.89206917
  H     14.52585182      9.87409439    -14.66511690
  O     17.29178424     11.60419445    -14.01662725
  H     14.65453686     12.15480465    -11.67292517
  H      9.92314638     10.38238341    -16.51201508
  O     10.62179428     11.08142462    -13.72643546
  H     14.47212773     10.25598084     -9.04316346
  H      9.44008294      9.10602532    -15.79970352
  O     15.98453428     13.30139585    -10.93702929
  H     13.06635923     10.62356113     -8.52357867
  H     16.76944632     10.25084102    -10.93461228
  O     14.69661017     10.82255784    -14.59292055
  H     15.15910645     14.25989688    -13.75829216
  H     17.41348111     11.00407658    -12.12129159
  O      9.26678115     10.05222275    -15.88491101
  H     16.11525803     13.91395971    -12.60934667
  H     13.04364480     14.59010438    -12.75105470
  O     17.38649588     10.95632419    -11.15716874
  H     12.37194812     11.64313419    -11.42066735
  H     13.03919709     15.61212494    -13.90416630
  O     13.25721978     14.70716515    -13.69289169
  H     10.94858965     11.58241876    -12.01977582
  H     10.67653114      7.68316156    -14.56742048
  O     10.24120147      7.40562013    -15.39137697
  H     12.75843591     13.26479099    -14.75892256
  H      9.84821911      6.55374057    -15.21995939
          69
 Energy    -248.38626046152132     
  O      1.28978448     -0.08049717      5.28697383
  H      0.87710489      0.78775315      5.12731417
  H     -1.44481335      4.36082599     -0.37939587
  O      1.77563003     -1.92177512     -2.42838658
  H      1.96719391      0.05778885      5.94406368
  H     -3.00863456      1.35961873      5.15216293
  O     -1.22630011     -1.33431518      5.79584377
  H      2.47440462     -1.64019126     -1.81143242
  H     -2.53505244     -0.11802068      5.43208596
  O     -0.38029782     -0.70779420     -1.05214260
  H      2.16070558     -1.92735633     -3.30040811
  H      0.71830171      1.65925287      1.56698420
  O      1.13522405     -4.00878526     -0.54386539
  H     -1.27984785     -1.92873787      5.03986426
  H     -0.32157691      2.81917736      1.39021396
  O      3.05436716     -3.28415639      1.48041732
  H     -0.35046782     -0.93089787      5.74284582
  H     -3.01531900      0.99417644     -0.43538478
  O     -3.39484372      3.04873754      2.29182878
  H     -0.76113787     -1.47810970     -0.60545289
  H     -1.64715380      0.64760731     -1.08227297
  O     -4.03141374     -3.33938848      2.93780101
  H      0.27318069     -1.04939235     -1.67551669
  H     -1.06763283      0.89743735      2.43803091
  O      0.11334764      2.29397176      4.77799448
  H      1.81617547     -3.86766672      0.12502523
  H     -2.15601652      0.34573851      3.41557159
  O      3.49881432     -1.19837920     -0.44528178
  H      1.36598104     -3.43138412     -1.28241929
  H     -0.47530435     -3.47311719     -0.02095149
  O     -5.16298682     -0.68138516      3.33284932
  H      2.49873403     -2.77854082      2.09551923
  H     -1.23284719     -2.92234311      1.22346305
  O     -1.50879681      3.63355344      0.23292209
  H      3.60166293     -3.85650128      2.01278556
  H      0.45541317     -2.15257097      3.06976308
  O     -3.16871806      0.43072172      4.94713022
  H     -3.79750425      2.26008834      1.91513477
  H      1.41331692     -1.18333462      3.80864034
  O      0.14670914      2.28087834      2.03964414
  H     -2.79311732      3.38049649      1.61330400
  H     -2.90602556      3.17796477      3.98639804
  O     -2.29223513      1.35740862     -0.96173216
  H     -4.51372774     -4.15135423      3.06977916
  H     -3.02890093      3.91914923      5.33749258
  O     -1.66701381      0.16023648      2.59997336
  H     -4.11433055     -3.11108538      1.99377029
  H      1.36890583     -0.49453512      1.62887995
  O     -1.25868322     -2.97705578      0.26171560
  H      0.23393704      2.41127279      3.82339962
  H      0.76637274     -0.12006424      0.24208886
  O      1.33644309     -1.75744896      3.03434414
  H     -0.76262162      2.64729783      4.96693040
  H     -1.47473716     -1.54823687      2.87619814
  O     -2.61471198      3.17091727      4.91569141
  H      2.93334708     -0.55284624      0.00125058
  H     -2.26322954     -2.87085132      3.13246250
  O      1.42257208      0.14234262      0.90442156
  H      3.55306065     -1.94217031      0.16738502
  H     -3.09564891     -2.69742186      0.12683013
  O     -1.37358910     -2.49470449      3.08079755
  H     -4.59152256     -0.27035243      3.99767589
  H     -4.05759714     -1.51779322      0.41247961
  O     -4.00758286     -2.47923379      0.36608611
  H     -4.91493108     -1.61253717      3.32427279
  H     -3.09292047      0.27483563      1.49585548
  O     -3.97263414      0.35619662      1.09434139
  H     -1.77800292      2.85021760     -0.28188352
  H     -4.58608056      0.05078092      1.78071909
          69
 Ord_Energy   -248.386200    
 O   -9.21613979      -4.65062094     -0.922922790    
 H   -9.92565727      -4.68933296     -0.261864990    
 H   -9.43601418      -5.30746889      -1.57879746    
 O   -8.90900517      -1.56143916       7.25937843    
 H   -9.04337215      -1.97785163       8.10699654    
 H   -8.27949047      -2.11754513       6.76747322    
 O   -8.81354141      -2.18773627       1.88581383    
 H   -8.24173641      -1.73785710       2.52508831    
 H   -8.23201275      -2.67987752       1.29422736    
 O   -4.75935364      -1.00771344       2.17277408    
 H   -4.34530926      -1.83420122       2.45297790    
 H   -5.03113747      -1.09627390       1.25156033    
 O   -7.00035858      -3.56111360      0.268057615    
 H   -7.70540619      -3.92915320     -0.285892397    
 H   -6.63800001      -2.76725721     -0.143930346    
 O   -7.47526693      0.876607120       6.75370550    
 H   -7.94730663       7.78588802E-02   7.01802635    
 H   -6.54135609      0.644644558       6.66921139    
 O   -10.7590141      -1.53029454       5.04897976    
 H   -10.6640453      -2.37868309       4.59865141    
 H   -10.1967115      -1.55739629       5.83177519    
 O   -6.08699799      -4.78061199       2.58114719    
 H   -5.26257563      -4.34473181       2.82327771    
 H   -6.36183500      -4.40746260       1.73155773    
 O   -5.83713436      -1.09750426     -0.447494477    
 H   -5.40555763     -0.839493811      -1.25736833    
 H   -6.40352917     -0.347841680     -0.183024719    
 O   -3.73969507      -3.33376217       3.34004736    
 H   -2.86332369      -3.70755935       3.37298822    
 H   -3.94423628      -3.01382232       4.23778248    
 O   -7.21658230      -2.93220687       5.65419388    
 H   -7.19101286      -2.27630162       4.93811131    
 H   -7.48204422      -3.77761745       5.27295542    
 O   -4.69063759      0.405475408       6.25186300    
 H   -4.60325766      0.758214474       5.34817314    
 H   -4.06261444      0.882355869       6.78925753    
 O   -9.89277935      0.272357821       1.13711381    
 H   -9.63190269     -0.647942185       1.28593373    
 H   -10.3140078      0.548637688       1.95836556    
 O   -4.47547054      -2.38864851       5.76280499    
 H   -4.48072767      -1.44425261       5.96235943    
 H   -5.39186239      -2.67971253       5.86331558    
 O   -7.99049282      -5.30554771       4.38448429    
 H   -7.31017685      -5.16428328       3.69900942    
 H   -7.93111467      -6.22012281       4.64579916    
 O   -10.8733110      0.854850590       3.78352380    
 H   -11.6976538       1.27637303       4.01059866    
 H   -10.8745251      -1.46782799E-02   4.22290993    
 O   -4.45685434       1.29824686       3.69886112    
 H   -5.07669163       1.90887582       3.28246546    
 H   -4.41249609      0.531884551       3.11028528    
 O   -7.31475687      0.968862236      0.397786945    
 H   -8.24798489      0.805826783      0.599804699    
 H   -7.00537157       1.62281072       1.03313553    
 O   -10.2451410      -3.85637951       3.46953559    
 H   -9.56350136      -4.43850327       3.82695293    
 H   -9.78207302      -3.23232627       2.88416862    
 O   -11.2412119      -4.75113535      0.998305380    
 H   -10.9693737      -4.52618217       1.90051997    
 H   -12.1054440      -4.35926628      0.889042199    
 O   -8.20511627       1.54280782       4.23144722    
 H   -8.00253582       1.42087257       5.17207241    
 H   -9.14693356       1.38073444       4.09631634    
 O   -7.12199545      -1.01247227       3.68681526    
 H   -7.44651461     -0.120462388       3.86045170    
 H   -6.29835320     -0.945550144       3.18629503    
 O   -6.55255461       2.79020119       2.48870134    
 H   -6.72598219       3.72734523       2.45282269    
 H   -7.18698597       2.41171145       3.12372303    
          69
 Ord_Energy   -248.385925    
 O    1.63966405      -2.12592244       1.07766080    
 H    1.13940322      -1.81752074      0.306886524    
 H    2.20977664      -1.39082456       1.33265793    
 O   0.945036411      0.305376291       3.85652018    
 H    1.68855107      0.286246181       3.24035239    
 H   0.543359399     -0.571584463       3.82282615    
 O   -3.82101536      -2.38582826      0.497938573    
 H   -3.66376877      -3.31940842      0.699716747    
 H   -3.42198205      -1.88610542       1.22620010    
 O  -0.209117115      -2.22285628       3.20089030    
 H   0.415255785      -2.19579268       2.46115971    
 H  -0.450251698      -3.15020180       3.31268430    
 O   -8.93264636E-02   4.14819956       1.03883028    
 H  -0.243897095       3.58462191       1.81959665    
 H   0.182146654       5.00208569       1.36491919    
 O   -3.17528200     -0.199682906      -3.15341663    
 H   -2.60989809      0.587861240      -3.18322873    
 H   -3.66650581     -0.214609280      -3.97223186    
 O   -2.86901784      -4.91894960       1.00672162    
 H   -2.29005313      -4.95330000       1.77822804    
 H   -2.29576111      -5.08589220      0.249273568    
 O   -4.57706022       7.94112831E-02 -0.631459594    
 H   -4.48509312     -0.792378187     -0.224081486    
 H   -4.17493010       9.38830990E-03  -1.50384092    
 O   -4.43214655       2.43463659      0.696294725    
 H   -5.30502415       2.81647444      0.744106710    
 H   -4.52779055       1.57389510      0.249059692    
 O   -2.07630897       3.10419798     -0.633078754    
 H   -1.43511569       3.57855868      -8.56882781E-02
 H   -2.90766001       3.02230120     -0.145205766    
 O   -1.10586286      0.788815379      0.687905431    
 H   -1.47836483       1.48136461      0.131563261    
 H  -0.768099308       1.23644769       1.47511387    
 O   -1.64911449       2.12589049      -3.12703204    
 H   -1.81567121       2.53649831      -2.26032639    
 H   -1.57155645       2.83846092      -3.75727010    
 O    2.93522072      0.277571768       1.80566597    
 H    3.86457729      0.450630933       1.93238926    
 H    2.60132456      0.979091763       1.21874869    
 O   0.855369925      -4.82648849      0.885178030    
 H    1.27719975      -3.95667696      0.905944884    
 H   0.310199976      -4.85261965       8.91096592E-02
 O  -0.594242215       2.36040807       2.97855783    
 H   -4.50145006E-02   1.69804239       3.42372441    
 H   -1.52194846       2.20099854       3.20734215    
 O    1.96738863       2.22855210      0.175034493    
 H    1.35378850       2.92549801      0.424774408    
 H    1.69333935       1.93017662     -0.704686165    
 O   -1.05132186      -4.91724539      -1.25904405    
 H   -1.43232572      -4.06875849      -1.53726137    
 H   -1.05346084      -5.48204279      -2.02831078    
 O   -3.24850059       1.68696284       3.24106169    
 H   -3.14174151      0.730821609       3.14005852    
 H   -3.70198870       1.98050570       2.44225025    
 O   -2.19556761      -2.45133638      -1.74390972    
 H   -2.50872827      -1.75959289      -2.33771038    
 H   -2.76405120      -2.42486429     -0.958208382    
 O  -0.807444632      -4.97890520       3.02228069    
 H  -0.604027867      -5.71293640       3.59590197    
 H  -0.164534539      -5.00692844       2.28964257    
 O   0.996293485       1.21145260      -2.23598075    
 H   0.795952320      0.324891448      -1.90276670    
 H   0.176842019       1.52382755      -2.63098955    
 O   -2.50428367     -0.891097903       2.37822056    
 H   -2.10407305     -0.306134194       1.71721745    
 H   -1.77037323      -1.38664746       2.76593685    
 O    8.81774798E-02  -1.07375431     -0.911565781    
 H  -0.294496834     -0.407395482     -0.317649245    
 H  -0.646919906      -1.60638106      -1.23576760    
          69
 Energy    -248.38586149070488     
  O     11.60847695      9.40892294    -15.35742890
  H     12.18442734      8.85011192    -15.90002190
  H     16.79007867      5.91881669    -14.23191423
  O     16.34409754      6.91786795    -12.85430665
  H     11.95552515     10.30344303    -15.44096659
  H     20.92038609      8.36503055    -12.91506476
  O     16.58319732     11.40951434    -12.26475751
  H     15.60794541      6.78143233    -12.24242537
  H     19.85529546      8.83148243    -13.92035042
  O     17.12668085     10.64901204    -14.88195533
  H     16.90400159      7.59542911    -12.45256737
  H     15.33738429     10.53116326    -17.45377354
  O     14.09684398      5.46812998    -15.63230427
  H     16.55518116     11.85437598    -11.40570374
  H     15.97157019     11.28318115    -16.27192260
  O     14.52888348     10.21109140     -9.18588234
  H     15.65976544     11.30198230    -12.53712430
  H     14.55898546      8.44516978    -15.23391470
  O     14.35510395      6.91657267    -10.93433280
  H     16.46316695      9.94048485    -14.85518338
  H     15.44650429      8.04897873    -14.00443400
  O     14.01993274     10.88686338    -13.18501742
  H     17.09134020     11.07857757    -14.01701874
  H     10.07028001      7.93346416    -13.05862494
  O     17.56630911      7.54065833    -16.90420106
  H     15.03873962      5.34085841    -15.48128151
  H     11.19612487      8.58841695    -13.89111924
  O     16.38244904      8.01807923     -9.28590911
  H     13.67571425      5.52728979    -14.76037428
  H     13.33597070      6.03921146    -12.32536759
  O     19.38871810      9.36946554    -15.62253619
  H     13.83134292      9.92844246     -9.79017533
  H     12.20193089      6.59373471    -13.19451997
  O     16.94743822      5.45836684    -15.07395063
  H     15.12743084      9.45884269     -9.10261535
  H     17.33125230      9.81442919    -11.76343360
  O     20.00169123      8.61195691    -12.98839045
  H     13.82425648      7.71893807    -11.05230112
  H     18.56673640      8.87218318    -11.94661713
  O     15.24818848     11.32363041    -16.91002946
  H     14.99391692      7.12331268    -10.24159850
  H     15.95017885     13.09145864     -9.16325029
  O     15.12493630      8.78854422    -14.53203721
  H     13.58561044     11.41293725    -13.86586708
  H     15.53428180     11.64752389     -9.49273468
  O     11.00993349      8.09494857    -13.07198346
  H     14.34324100     10.09177401    -13.64004365
  H     15.76341748      8.67344066    -19.22025704
  O     12.88767966      5.91490470    -13.16950754
  H     18.26280045      8.05059831    -16.47640809
  H     16.33113207      8.36072667    -17.81637500
  O     17.70162364      8.95439906    -11.52132141
  H     17.37113278      6.79584721    -16.32150676
  H     12.11029565      8.86708583    -11.77697819
  O     16.14880107     12.35966409     -9.74060517
  H     16.99045818      7.76182183     -8.59727650
  H     13.23879388      9.90649505    -11.88673189
  O     15.62456687      8.83445867    -18.29060537
  H     16.91886809      8.36107975    -10.02064831
  H     12.61112743     12.77526813    -15.88963085
  O     12.85179859      9.24917535    -11.29010789
  H     19.90451412      9.90637971    -16.21935688
  H     13.74533127     11.74522601    -16.08969355
  O     12.95501460     11.94972504    -15.55934692
  H     18.60302396      9.89407851    -15.38301746
  H     13.67562982      6.97392052    -16.41554139
  O     13.52452935      7.90277792    -16.65534117
  H     17.40497094      4.64828920    -14.86262707
  H     14.16020890      8.15229006    -17.33545015
          69
 Energy    -248.38578253442142     
  O     11.92258896      9.82307593    -14.75654752
  H     12.41653766     10.64452694    -14.85885161
  H     15.92783415      5.29208083    -14.58414900
  O     16.21592153      6.05420004    -12.96208220
  H     12.43412427      9.15627744    -15.23628212
  H     19.34885822      8.82196471    -12.73353168
  O     16.97384420     11.01147663    -11.08538680
  H     17.02609907      5.98502106    -12.44579488
  H     19.31078433      7.71461740    -13.81333424
  O     17.68802391     10.17492878    -15.07648781
  H     15.49103576      6.16513172    -12.33022388
  H     16.42657151     10.83203896    -16.22471166
  O     12.85931396      5.30634539    -15.38689991
  H     16.21613916     11.08444045    -11.68102813
  H     15.52020022     10.15413411    -17.26396140
  O     15.71350787      9.35292038     -9.22289761
  H     16.66128742     10.48040922    -10.34097909
  H     15.95228381      7.70043708    -13.73720812
  O     14.30014186      6.52185263    -11.02149591
  H     17.00929715      9.56874925    -14.73754172
  H     14.94133305      8.31534959    -14.75056704
  O     14.77316225     10.74901028    -12.78531716
  H     18.19145317     10.47741400    -14.31087960
  H     11.35044215      9.11568883    -13.28784939
  O     17.08550406      6.35516176    -17.34349629
  H     12.17376512      4.72720949    -15.70784607
  H     10.16359139      8.87827407    -12.32346230
  O     16.51763589      6.56141432     -9.27046190
  H     12.62202859      5.53941155    -14.47032414
  H     12.90459184      6.06237884    -12.18836529
  O     18.97348544      7.73336769    -15.60740355
  H     14.84241731      9.32398101     -9.63867727
  H     11.75804914      6.91335300    -12.76401806
  O     15.68176913      5.02252520    -15.48044469
  H     16.02241101      8.44068979     -9.19289955
  H     19.76042176     11.33302545    -12.46008685
  O     19.38906416      7.86699084    -12.86072346
  H     14.02039887      7.45008883    -11.01190655
  H     18.35940913     10.81562620    -12.05454538
  O     15.61745280     10.95733728    -16.74240915
  H     14.94775024      6.42523126    -10.31319337
  H     18.83139844      6.74035727    -11.75183937
  O     15.66371558      8.52568179    -14.14482641
  H     15.10233623      9.94897968    -13.22384332
  H     19.08820115      5.31815421    -11.20285512
  O     11.07916076      8.65784553    -12.47129278
  H     14.40008476     11.30152807    -13.48051912
  H     14.09114446      8.05431173    -16.77718138
  O     12.23525415      6.08282163    -12.88405495
  H     17.58193747      5.71880418    -17.85213977
  H     13.32944893      7.02573453    -15.87239244
  O     19.09614342     10.68622102    -12.68020893
  H     16.58278196      5.84992970    -16.67837015
  H     13.86540996      9.77970428    -11.56073865
  O     18.45381846      6.02999706    -11.19856377
  H     17.24219576      6.40902259     -9.89775469
  H     12.54041866      9.02557331    -11.33965080
  O     13.59019821      7.95155968    -15.95877149
  H     16.77809620      6.15885072     -8.44529211
  H     13.60269800     12.92661432    -15.31325189
  O     13.42101504      9.15607362    -10.96751508
  H     18.36728095      7.24497722    -16.17272415
  H     14.38066028     11.65455923    -15.71831583
  O     13.72644228     12.00820692    -15.08955631
  H     18.63220076      8.63851861    -15.58578284
  H     15.27365859      8.36253913    -19.04467649
  O     15.35821291      8.38268401    -18.09426235
  H     14.71806943      4.99058325    -15.48804304
  H     16.01658834      7.70868710    -17.85894473
          69
 Energy    -248.38555781490476     
  O     17.88119272      8.15694651    -16.03646532
  H     18.43089976      8.30103630    -15.25859020
  H     18.08409828     10.96312342    -17.52497593
  O     14.92720145     10.25008680    -11.42579868
  H     17.08863955      7.70979824    -15.71206414
  H     14.51492760     10.76909155    -18.86148009
  O     17.55526614     15.58977099    -13.69340409
  H     14.24467361     10.41100984    -12.09510018
  H     15.77248679     10.70741016    -17.95503384
  O     15.48972652      7.32512224    -14.75877577
  H     15.57761841      9.64272338    -11.80550391
  H     18.03633841     13.16339436    -12.02144303
  O     13.50543830      8.60924501     -9.73610190
  H     18.06892078     14.88208090    -13.26104137
  H     19.09359727     12.83220785    -13.09337572
  O     15.20853410      6.58430529    -10.86429209
  H     18.07495328     16.38680729    -13.62520737
  H     13.80924880     13.97344503    -13.46764218
  O     16.43406117     11.55110555    -14.27974306
  H     15.07842971      8.14907511    -15.06401475
  H     13.77691041     13.33180822    -14.85649010
  O     12.98671515     10.67435578    -13.35995526
  H     14.80566145      6.81416030    -14.30913344
  H     19.81748062      8.19979848    -13.10205994
  O     16.68583937      8.28335529    -12.43776791
  H     13.33231389      8.97977075     -8.87470735
  H     18.33614442      8.63194500    -13.04606363
  O     19.23161948     11.45256394    -14.30859098
  H     14.03194758      9.26563485    -10.22377203
  H     12.95410606      6.86127860    -12.87780030
  O     14.59843222      9.81427467    -15.42783231
  H     14.66248288      6.26917124    -11.59621008
  H     12.92207778      5.37844991    -13.31533897
  O     17.40616276     10.30754070    -17.71950939
  H     14.62765587      7.14190186    -10.33200788
  H     15.89036041     15.27610722    -12.96218926
  O     14.82485220     10.94370957    -17.97808914
  H     17.39015950     11.48627622    -14.39350574
  H     14.80004661     15.81082675    -12.00994181
  O     18.79925014     13.52941480    -12.49140937
  H     16.29894149     11.91039773    -13.39512168
  H     17.62705088     14.81271690    -15.46126154
  O     13.32120827     13.33911478    -14.00410717
  H     13.42012643     10.30033042    -14.14060975
  H     16.70132358     14.04142597    -16.41308525
  O     19.17256134      8.76242529    -13.52396650
  H     12.96160519     11.63071608    -13.50778385
  H     15.72849039     13.38281957    -11.76651067
  O     13.51017462      6.11252354    -13.15831918
  H     16.31700316      7.99119107    -13.28429067
  H     15.76875183     11.86027306    -11.37597812
  O     15.07973183     15.03298579    -12.48736041
  H     16.34253635      7.66215079    -11.77848079
  H     15.60528788     12.61345638    -15.51681226
  O     17.61325009     14.34475635    -16.30319155
  H     19.34239886     10.51427883    -14.10981300
  H     14.92439808     12.48415509    -16.89961726
  O     16.30587513     12.62090358    -11.63538784
  H     19.41319316     11.61244414    -15.24352669
  H     12.40439325      8.34136890    -11.30650796
  O     15.11607251     13.11144870    -16.19129827
  H     14.53381284     10.11154366    -16.34326450
  H     12.23082421      9.10559670    -12.63564781
  O     12.10563372      8.24258210    -12.21893636
  H     15.30151833     10.34105922    -15.01593115
  H     19.97367588     12.63279032    -17.56113366
  O     19.30022378     12.31609629    -16.96511059
  H     17.60121280      9.52789759    -17.17855297
  H     18.72696720     13.07640647    -16.75825655
          69
 Energy    -248.38540289012514     
  O     -6.67115196     -2.57248369      6.26797952
  H     -7.49445330     -2.07625688      6.30741329
  H     -5.00689855     -2.08014848     -0.73445341
  O     -7.85328046     -4.35038314      2.46422509
  H     -5.96361475     -1.95969258      6.50810438
  H     -4.60878679      1.62507228      1.90497199
  O     -5.65954058     -4.17704563      4.28814146
  H     -7.08151263     -4.45377249      3.03162688
  H     -3.68865160      2.82183119      2.25515517
  O     -5.74939188      1.07517216      0.55984150
  H     -8.43256410     -3.74236921      2.94758118
  H     -6.11252317     -1.04822739      3.32906396
  O     -6.49294727      0.95622374      5.90190473
  H     -5.22962725     -4.91728759      4.70874601
  H     -7.61433611     -1.27367936      3.67810940
  O     -7.66731804      5.25629216      1.45038503
  H     -6.06047458     -3.64813576      5.00014701
  H     -4.05661636     -0.53485576      5.93494601
  O    -10.03064006     -0.86326003      1.35386501
  H     -5.56913650      0.16426236      0.30011198
  H     -3.81261713     -0.78204446      7.44337050
  O     -9.37615273     -1.14535475      6.19820470
  H     -6.64491409      1.08837004      0.92789027
  H     -4.07963840      5.04740835      2.17427846
  O     -3.43112821     -0.15170863      4.36153741
  H     -6.63640251      0.42173719      5.10407286
  H     -2.70891808      5.13569673      1.46023795
  O     -5.78655176      3.85898508      0.04856799
  H     -5.81175366      0.49586532      6.40383458
  H     -8.33927613      4.07037085      2.75837772
  O     -9.21142585     -2.25648614      3.67023312
  H     -7.05157207      4.74385566      0.89626447
  H     -7.51478824      3.30600462      3.80504713
  O     -5.38307616     -1.69213230      0.05095330
  H     -8.09346834      5.88553836      0.87461953
  H     -4.85145377     -2.05151844      1.81128704
  O     -4.06275714      2.00450010      2.60775706
  H     -9.44429798     -0.09570788      1.46858920
  H     -4.95302319     -2.87407749      3.15322476
  O     -6.91765700     -0.60602949      3.62476364
  H    -10.81144451     -0.55151690      0.90417058
  H     -8.66113594     -2.04318846      0.56282250
  O     -4.49472234     -0.75339965      6.77851210
  H     -9.38689689     -0.19673277      5.98224372
  H     -7.86561960     -3.29222782      1.00548596
  O     -3.46848873      4.57313310      1.58200882
  H     -9.94722934     -1.25601671      6.95433296
  H     -8.24438894      1.43749493      5.86560570
  O     -8.39609239      3.35495563      3.40445247
  H     -3.70984402     -0.87299818      3.77940974
  H     -9.17230053      2.16939849      4.88614182
  O     -4.67221855     -2.03747823      2.75947648
  H     -3.52956237      0.65062237      3.83471533
  H     -6.19506728      5.69268130      2.65913374
  O     -7.88955887     -2.57702121      0.35062368
  H     -4.93625869      4.13275615      0.41452165
  H     -5.52290997      4.91425667      3.80249979
  O     -9.17160279      1.51518123      5.59171781
  H     -5.77517121      2.89336871      0.05959551
  H     -5.21026970      2.76825400      3.79793789
  O     -5.38756255      5.64767368      3.18540448
  H     -9.45884445     -1.90292024      4.53432077
  H     -5.97673749      2.50485481      5.10875165
  O     -5.80731298      3.17956440      4.43908787
  H     -9.67849283     -1.76783017      2.98025771
  H     -7.71222914      0.49102264      2.52412742
  O     -8.18047559      1.06383372      1.89479354
  H     -6.30456935     -2.00725215      0.10772844
  H     -8.34539223      1.89802893      2.35300484
          69
 Energy    -248.38539071900948     
  O     16.10019878     11.87019540    -11.98872334
  H     16.76232979     11.22690964    -11.69782842
  H     19.13275635      9.88894164    -14.53977263
  O     13.99394612      7.20769279    -14.36529873
  H     16.13229161     11.86410550    -12.95419707
  H     16.57910748      9.03882329    -12.73458049
  O     15.66358691      6.35599754    -10.85686148
  H     14.60768012      7.86442081    -13.99884507
  H     15.97088837      9.67044505    -13.99167086
  O     19.63342849      7.00953255    -13.19814360
  H     14.37682216      6.35115769    -14.14078127
  H     14.56894114     11.37188784    -11.38534557
  O     13.54494213     11.02784092    -15.95877186
  H     15.01462463      7.07387211    -10.89153937
  H     13.37086297     11.68749498    -10.46086001
  O     12.20827425      6.21205737     -9.48069804
  H     15.27485706      5.65118054    -10.32222935
  H     13.62725294      3.88433660    -11.24867205
  O     11.76283118      7.79894483    -12.94134270
  H     19.26267748      6.94486330    -12.31006570
  H     14.03263304      4.14833099    -12.70892652
  O     17.07312663      7.95934235    -17.36363371
  H     18.91860849      6.75889101    -13.79874020
  H     12.01289467      9.60259510    -13.39019400
  O     10.96589282      5.30561987    -11.90500100
  H     12.97917256     11.63818172    -16.42381172
  H     12.83028488     10.73885794    -12.74609899
  O     17.33488864      6.71101890    -14.80191071
  H     13.10628218     10.83216303    -15.11015883
  H     18.65282638      6.74231537     -9.79424601
  O     14.49901713      8.48470749    -16.79774102
  H     12.64789043      7.01701564     -9.78718822
  H     17.37825710      6.79496343    -10.66691202
  O     19.52525085      9.75562749    -13.67193285
  H     11.63248752      5.93593842    -10.20519600
  H     15.63581898      5.52610771    -12.52330555
  O     16.03990213      8.83659482    -13.50909975
  H     12.47677471      7.53668762    -13.54556543
  H     16.23489292      5.44316150    -13.94551237
  O     13.70160932     11.04685299    -11.08489671
  H     11.34069147      6.98531257    -12.64223487
  H     13.46695314      5.01033200     -9.36107841
  O     13.28538699      3.89653495    -12.15137743
  H     17.13420997      7.52264485    -18.20885167
  H     14.25558891      3.85974509     -8.68590211
  O     12.41781131     10.46030646    -13.57263460
  H     16.12855172      8.15030657    -17.21180580
  H     18.83011291     10.64556430    -16.89101279
  O     18.30192498      7.09026976    -10.61039648
  H     10.21763725      4.73602571    -12.06232344
  H     17.87694283      9.44858435    -16.68225042
  O     15.52930670      5.09501354    -13.38432828
  H     11.76403500      4.77179766    -12.06852468
  H     12.97624047      8.08269075    -11.58219703
  O     14.21371456      4.39381235     -9.47396752
  H     16.94034972      7.46299184    -14.33331583
  H     13.72239423      9.20059288    -10.82645144
  O     18.21838097     10.25665192    -16.26930382
  H     17.33660869      6.96174973    -15.73142374
  H     18.47697284      9.83576975    -12.24527567
  O     13.60769946      8.24358370    -10.86676625
  H     14.22689092      7.93707377    -16.04850740
  H     18.05294587      8.91381944    -11.06877834
  O     17.82061837      9.72270665    -11.53702726
  H     14.13573771      9.36169937    -16.62657151
  H     16.80046863     11.08945794    -15.36356785
  O     16.07312631     11.33299844    -14.77688179
  H     19.70495825      8.80622922    -13.58907199
  H     15.25303489     11.32961653    -15.28733391
          69
 Energy    -248.38534380007826     
  O     16.10587933     10.87383783     -9.10245466
  H     16.08328216     11.09391393     -8.17450149
  H     14.18501022      6.47737637    -14.82071783
  O     14.90460026      5.03609068    -11.16160094
  H     15.93899252      9.91710055     -9.16604136
  H     17.03774646      7.66948675    -16.83684465
  O     16.48625716     10.89130741    -12.89510857
  H     15.32171280      4.76196410    -11.98704706
  H     16.16574327      7.05877525    -15.71600798
  O     15.84251441     10.22261021    -15.50518267
  H     15.62149719      5.26768394    -10.55900737
  H     16.55936703      7.65912966    -12.66311747
  O     17.04759930      5.86881452     -9.43401821
  H     16.30620194     10.83625328    -13.84375668
  H     16.10848535      9.14381333    -12.56118604
  O     13.07866046      9.79119850    -15.16514609
  H     15.66433880     11.12655005    -12.44536897
  H     16.02454138      7.42851392     -9.30596677
  O     12.75425629     11.91155571    -13.45542203
  H     16.25313765      9.34905754    -15.57371519
  H     15.66465229      8.24056428    -10.56122976
  O     14.17707230      6.76918870    -17.95233791
  H     14.89251555     10.08284282    -15.38597877
  H     16.28714926      3.50619085    -13.99976647
  O     12.45955255      6.22709632    -11.38297499
  H     17.52479484      5.35691842     -8.78735906
  H     15.60213881      4.85019379    -14.34159029
  O     17.87833113      6.61880483    -13.46294247
  H     17.71219970      6.37977140     -9.93342227
  H     13.77965934      8.59570710     -9.85892628
  O     13.46887099      7.57112150    -13.58719377
  H     13.10068571      9.00665994    -14.59906847
  H     12.61033642      8.04296732    -10.66439092
  O     14.72267718      5.93399308    -15.41448568
  H     12.88245067     10.55637197    -14.60541238
  H     18.67473455      8.32586819    -10.85867500
  O     16.92366640      7.63862989    -15.87873111
  H     12.49952824     12.83025296    -13.42306417
  H     18.67595417      7.10542741    -11.81540343
  O     15.83651620      8.23370316    -12.38302688
  H     13.21047314     11.73130223    -12.61857205
  H     16.34796231      8.75592284    -18.64703179
  O     15.57435051      8.22935920     -9.59484414
  H     13.63774947      7.56997758    -17.96497804
  H     17.30830941      7.84630095    -19.45100978
  O     16.13749835      4.38952256    -13.67203267
  H     15.03084547      7.02336063    -18.32366418
  H     17.88682025     10.47962415    -11.67168003
  O     12.95543230      8.86095956    -10.29157087
  H     11.79115386      5.59439244    -11.13532598
  H     17.75538013     10.47770866    -10.15738163
  O     18.75773642      7.36170022    -10.88826112
  H     13.32074331      5.79064783    -11.25090864
  H     11.95270757      9.53780021    -18.15446747
  O     16.74570484      7.86721189    -18.68206550
  H     17.76647422      7.02243331    -14.33468580
  H     12.83122120      9.48598353    -16.88339529
  O     18.30957464     10.14279360    -10.87060486
  H     17.42150520      5.76828703    -13.49448409
  H     14.80367284     11.28914890    -10.48196973
  O     12.81590254      9.28727976    -17.83559389
  H     14.28888132      7.83763091    -13.14117770
  H     13.65821724     10.38310955    -10.97555454
  O     14.18897740     11.16018458    -11.21376757
  H     12.94840393      7.09912779    -12.92651593
  H     15.69977683     10.45156105    -17.40302232
  O     15.47240169     10.23887831    -18.31822024
  H     14.43734290      6.10766870    -16.32366494
  H     14.53238916     10.01805744    -18.30119229
          69
 Energy    -248.38524020216607     
  O     -3.65057734     -0.70615956      2.80228745
  H     -2.88419182     -0.98492082      2.28244601
  H     -6.44934559     -3.64012108      0.31778327
  O      0.29306923      3.22767255      2.76608527
  H     -3.36636584      0.02912639      3.36063999
  H     -3.44056868      2.01397371      0.09855694
  O     -1.53858853     -1.29480990      1.13184166
  H     -0.64250739      3.46010479      2.64490263
  H     -3.48381813      3.28679326     -0.76272015
  O     -4.94949859      1.23418517     -2.70676276
  H      0.74861894      4.03747015      2.98338869
  H     -5.69472364      2.22671689      0.88327587
  O     -2.67365114     -0.52609315     -2.69072769
  H     -0.73219378     -1.36725969      1.65703084
  H     -6.02354475      3.43687788      0.00251271
  O     -4.60186442      0.83808917      0.67968176
  H     -1.39704003     -0.56153434      0.51650010
  H      0.87752036      1.92720651      1.49431159
  O     -7.20339261      1.23379140      3.03764746
  H     -5.58061419      0.64527934     -2.26864839
  H      0.46317951      1.07490221      0.26681467
  O     -8.38859905      1.10217019      0.34013169
  H     -4.13345066      0.72573087     -2.77771378
  H     -4.49637309      1.92278451      4.82758142
  O     -2.85690432      1.55071560      4.20999115
  H     -2.98130925     -1.19529768     -2.05257645
  H     -5.48663044      2.28145954      5.95715603
  O     -5.12658282      3.72932435     -1.67105437
  H     -2.41579442     -0.99939584     -3.47785875
  H     -2.50662331      3.38790868      1.44366567
  O     -6.48211780     -0.37281063     -1.04415512
  H     -5.15372890      0.33315365      0.06906965
  H     -3.23278499      4.03591842      2.64951494
  O     -6.01396096     -2.79303352      0.27626416
  H     -4.35836098      0.26687534      1.41699559
  H     -5.22516415      3.72028983      3.78518451
  O     -2.90241735      2.76898026     -0.19564970
  H     -6.67854321      1.49216766      3.80691697
  H     -5.48685297      3.99771619      2.29154326
  O     -6.27310049      3.00580297      0.82967453
  H     -7.01383199      1.90652717      2.37447028
  H     -5.35520110     -1.32390334      2.82418738
  O      1.11683053      1.14926757      0.97503634
  H     -7.86894004      1.91598693      0.31541712
  H     -6.70133100     -0.58642266      2.75336485
  O     -5.40719018      2.20900565      5.00900617
  H     -8.42162386      0.86892535      1.27339427
  H      0.08575562      1.71768012      3.96006012
  O     -2.39422332      3.63992610      2.37101805
  H     -2.73806563      2.24557506      3.54841940
  H      0.13537770      0.18121374      3.92980782
  O     -4.96924448      4.29186063      3.05130721
  H     -1.96546333      1.26170494      4.45541379
  H      1.65256271     -1.52059453      2.66968450
  O     -6.29053624     -1.44608608      2.60282029
  H     -5.29172524      4.36722271     -2.35970477
  H      1.05051871     -0.26284930      1.99429307
  O     -0.21226479      0.92856255      4.43077287
  H     -5.08821174      2.85456724     -2.10145474
  H     -4.22984878     -2.54368226     -0.38268044
  O      0.84995441     -1.01335280      2.58392869
  H     -6.42394550     -1.27938663     -0.71909563
  H     -2.76554632     -2.14833828     -0.04624223
  O     -3.38090273     -2.30851680     -0.77346695
  H     -7.24982393      0.04181345     -0.62496811
  H     -1.61410176      1.56767847     -0.59733273
  O     -1.08500048      0.77294614     -0.75446281
  H     -6.16414397     -2.35724978      1.13475934
  H     -1.49436674      0.33420997     -1.51082143
          69
 Energy    -248.38491652583937     
  O     11.45898548     10.64570093    -14.34568729
  H     11.96482743     11.46618973    -14.37445917
  H     14.18669185      5.96810641    -16.02364737
  O     16.07641087      6.75499993    -13.62517188
  H     11.88661267     10.05873336    -14.98538332
  H     18.79975784      7.63167967    -14.33169715
  O     17.41652232     11.79057858    -12.43993309
  H     17.03634204      6.76975657    -13.53898935
  H     19.58632297      6.47958418    -13.67116183
  O     17.26734272     10.85718063    -15.00474472
  H     15.79474401      7.65977693    -13.84256182
  H     15.94324175     11.78102532    -15.92846114
  O     12.35675779      6.26716594    -15.67105243
  H     17.73432902     11.34179183    -11.64864557
  H     14.93557666     11.30586485    -16.98334987
  O     15.56225153      9.51507516     -9.11373510
  H     16.45103324     11.73915337    -12.38380610
  H     14.95803054      9.91517595    -13.58235090
  O     14.35532899      6.81663955    -11.47453173
  H     16.55676309     10.22305526    -14.82244223
  H     14.35556957      9.16319725    -14.80846722
  O     14.66317703     11.32660327    -12.46333950
  H     17.48665912     11.25654287    -14.14923279
  H     11.03202507      9.74421596    -12.94388347
  O     16.52518617      7.63148982    -17.73074699
  H     12.22966575      6.38242741    -14.71103290
  H      9.96456478      9.35729558    -11.89088259
  O     16.19942549      6.73311737     -9.36442265
  H     11.64925635      5.70529711    -15.97472418
  H     18.53952276      7.56478929    -11.71234925
  O     18.51002724      8.52812522    -15.79715316
  H     15.71647164      8.56384538     -9.04851782
  H     18.31363385      8.63506532    -10.61236625
  O     15.14585188      5.97933840    -16.11993280
  H     14.74711905      9.61246980     -9.62098810
  H     12.78013162      6.62368282    -12.44499857
  O     18.86745671      7.08957768    -13.52591764
  H     14.96581450      6.72890635    -12.22160261
  H     11.54851454      7.50431383    -12.74393962
  O     15.09766644     12.00572168    -16.34240286
  H     14.88542529      6.67099989    -10.68171628
  H     18.44315130     10.82889416     -9.30157793
  O     15.13228121      9.22806173    -14.23973254
  H     14.12340713     10.77172184    -11.88382315
  H     17.09952969     10.17150082     -9.68585352
  O     10.86225449      9.18727029    -12.16216739
  H     14.08944621     11.86770595    -13.01933771
  H     14.58746760      9.83053955    -19.01371434
  O     18.29538104      7.68511660    -10.78804116
  H     16.95840117      7.10479949    -18.39807601
  H     15.38639072      9.01829410    -17.97114269
  O     12.02219100      6.71699916    -13.03729236
  H     16.02349497      7.01185539    -17.16929076
  H     13.75086936      8.53738376    -11.16524767
  O     17.98783642     10.39264305    -10.01747472
  H     16.50511735      6.10171731     -8.71941324
  H     12.46062620      9.38401760    -11.22755320
  O     14.69746806      9.69409674    -18.07545523
  H     16.97820708      7.00481897     -9.88480229
  H     13.92030782     12.53557754    -15.15596271
  O     13.38252481      9.40518349    -10.94354984
  H     17.88312536      8.22724589    -16.46309615
  H     13.21306471     13.74020483    -14.49546637
  O     13.29592213     12.79124191    -14.45346488
  H     18.24218670      9.43159752    -15.57322994
  H     13.43789622      9.18509600    -16.80140903
  O     12.94133999      8.98449157    -15.99879865
  H     15.49837908      6.10950354    -15.22782631
  H     12.71922870      8.04430370    -16.00093173
          69
 Energy    -248.38458183974603     
  O     14.77877913     10.21586629    -16.05469887
  H     14.89284892      9.80168124    -16.91810580
  H     19.43942476      5.22934365    -15.57490753
  O     13.91043043      4.36685763    -16.24733633
  H     14.02754375      9.77943283    -15.63540657
  H     19.30710763      7.07402185    -16.67042880
  O     18.11142389      6.61318791    -11.86051323
  H     14.71198851      4.14068702    -16.73505273
  H     17.84533674      7.53930359    -16.47256259
  O     16.84523723      6.58565237    -18.80394008
  H     14.11947813      4.33657237    -15.30335025
  H     15.57810814      7.01543702    -15.81662351
  O     13.84139821      6.56160586     -9.98712874
  H     18.96457596      6.85151088    -12.24359118
  H     16.41728151      7.46491096    -14.57720843
  O     14.45795910      4.66916167    -13.48463078
  H     17.47652421      7.26456572    -12.19627999
  H     12.98162002      8.22338596    -13.93151039
  O     16.28694298      8.32625914    -12.95571061
  H     16.20640252      7.30578652    -18.84555468
  H     11.76167812      8.94866879    -14.54360551
  O     17.67945442      4.50855262    -15.49938063
  H     17.61399692      6.96054100    -18.35253390
  H     16.74496959      2.26841836    -10.27408717
  O     13.57719608      3.83923958    -11.00816806
  H     13.51185597      6.87907657     -9.15079995
  H     16.64559862      3.35508907    -11.36942908
  O     19.20652962      9.42815193    -14.81154127
  H     14.78624510      6.36085781     -9.85768490
  H     13.73545719      6.07067645    -16.52669831
  O     16.28263803      4.06316090    -17.88309337
  H     15.40275623      4.54450286    -13.32983094
  H     13.29230278      7.48249716    -15.98130282
  O     20.19480221      5.82523105    -15.66747778
  H     14.00854748      4.27757374    -12.72082648
  H     21.22537800      7.76640121    -13.03037024
  O     18.65135863      7.71658512    -16.98206728
  H     16.35899295      9.23515595    -13.27367197
  H     19.95894743      8.22121797    -13.79049080
  O     16.45250339      6.98273958    -15.41169947
  H     15.35910194      8.10445610    -12.80561316
  H     17.54643106      5.01999856    -12.50271686
  O     12.66999478      8.71095992    -14.71271746
  H     17.32195391      4.14892241    -16.31920931
  H     17.44226421      4.11968744    -13.76822337
  O     16.29585987      3.07733513    -10.50476912
  H     17.26547138      5.38222588    -15.41041975
  H     16.44653579      4.86439568     -9.82531229
  O     13.84727936      7.02838922    -16.62463303
  H     14.42398935      3.46029454    -10.73699700
  H     17.11018762      6.16143365    -10.32924812
  O     20.35013823      7.48556425    -13.28550675
  H     13.52435945      4.69755419    -10.57129809
  H     14.23582758      8.84578166    -19.21756682
  O     17.17524695      4.19216592    -12.84168579
  H     19.07984354      8.99984256    -15.66937088
  H     14.41808650      8.01984998    -17.92045914
  O     16.43598359      5.82461780     -9.72478408
  H     18.40745836      9.93794206    -14.64158741
  H     13.97733469      6.37033357    -13.06310453
  O     14.85155208      8.66260586    -18.51155536
  H     16.46236116      4.95015010    -18.24219595
  H     13.67141013      7.09989605    -11.73065892
  O     13.74324263      7.23176649    -12.68511253
  H     16.35059930      3.45635834    -18.61568514
  H     16.68710039     11.69195898    -14.03569513
  O     16.70301652     10.76052511    -14.23890919
  H     20.30317500      6.26074839    -14.81365624
  H     16.04765104     10.61540027    -14.94443693
          69
 Energy    -248.38443095533640     
  O     11.76625689     11.88717631    -15.63938182
  H     10.99747785     12.32127122    -15.27960352
  H     15.17742965     10.86181205    -12.41663621
  O     14.09233925     10.06157844    -19.60177568
  H     12.01622630     11.18866876    -15.00848841
  H     17.93157798      9.93921975    -14.86941605
  O     11.69883678      7.53203445    -16.50704675
  H     13.65721198     10.06274514    -20.45057227
  H     17.26914072      8.62515602    -14.32342066
  O     14.14907007      8.34393642    -10.02982483
  H     13.38304220     10.09825176    -18.93276605
  H     16.76628577      6.51899014     -9.73819210
  O     14.57154734     12.28368070    -15.82097214
  H     11.50407197      7.44677050    -15.56636830
  H     15.48597928      7.24157677    -10.22487826
  O     16.71867856     10.99574998    -19.18450950
  H     12.36006723      6.85431566    -16.68956050
  H     13.99763719      4.93740638    -17.35625458
  O     18.43529766     11.70930491    -14.67894556
  H     14.28782961      9.05507089    -10.67191570
  H     14.38486193      6.43586919    -17.39447883
  O     14.02032099      5.05510070    -11.54526832
  H     13.31791159      7.91573713    -10.26592762
  H     15.71150405      8.68511796    -12.72389421
  O     12.14720908      9.98478861    -17.76683947
  H     13.61557303     12.39894083    -15.81497212
  H     16.38917096      7.40465949    -12.18460777
  O     14.90090746      9.50685461    -15.86932412
  H     14.71691557     11.33030384    -15.92191752
  H     11.32417815      6.26570976    -10.26901776
  O     15.06212228      7.80612215    -18.19400402
  H     15.79156227     10.74118921    -19.30917255
  H     12.62772189      6.02464360    -11.06583771
  O     14.67529968     10.07569516    -12.15680030
  H     17.05189979     11.23616618    -20.04680508
  H     14.31642759      5.99576554    -15.05536690
  O     17.55546711      9.08635754    -15.12415101
  H     19.27268797     12.14790893    -14.55679458
  H     15.01623849      6.78486439    -13.88726357
  O     16.17914675      6.60590774    -10.48378890
  H     18.04322292     12.06988262    -15.49545517
  H     17.75712095      8.71411440    -16.93791816
  O     13.95091247      5.74939486    -16.85829146
  H     14.81307477      5.40861175    -11.12277542
  H     17.50790000      9.44744936    -18.28080218
  O     16.23730158      7.91546020    -12.98902078
  H     14.12157079      5.25657969    -12.48614932
  H     13.46956597      9.63868322    -14.75742500
  O     11.93179679      6.68004782    -10.87620796
  H     11.92899067      9.13921832    -17.34768159
  H     12.31937787      8.99461387    -13.92741422
  O     14.30521519      6.16856360    -14.10633160
  H     11.93219890     10.67496594    -17.13082322
  H     12.67311509      6.88843510    -13.82191570
  O     17.64943586      8.57683278    -17.88979378
  H     15.81622257      9.39572651    -15.57912014
  H     11.65521022      7.14578913    -12.69637581
  O     12.74884753      9.83432771    -14.13827957
  H     14.79406403      8.95745542    -16.65246146
  H     17.05323713     12.10282198    -17.69484845
  O     11.81814387      7.30635870    -13.63312021
  H     14.70168756      8.45627349    -18.80656786
  H     16.21263438     12.68969540    -16.55127233
  O     17.12156898     12.60091422    -16.87218444
  H     16.01885180      7.95807134    -18.13339938
  H     15.42191316     12.35882237    -14.09573582
  O     15.95984127     12.19142885    -13.31119406
  H     13.91121472     10.04001439    -12.74738400
  H     16.86132600     12.08311613    -13.63545849
          69
 Energy    -248.38434841532808     
  O     12.51487948     11.60646745    -15.31862531
  H     13.40359162     11.88595427    -15.56616435
  H     17.65104908      7.50948668    -13.98946934
  O     14.31471897      6.60589813    -12.29182413
  H     12.38775352     10.72836831    -15.70490172
  H     15.75694125     10.71182672    -16.90622585
  O     17.93696072      9.27897701    -13.37653091
  H     15.17390354      6.19095409    -12.14790350
  H     16.86112530      9.62807474    -16.98914701
  O     18.36210301      9.02777315    -16.12723645
  H     14.42092120      7.29716782    -12.96297502
  H     14.94531561      7.84040472    -14.91625808
  O     10.91810582      7.13201429    -14.61897154
  H     18.24822911      9.29439008    -12.46414618
  H     13.69966087      8.73841013    -14.82929177
  O     16.19069590     10.57553219     -9.55544632
  H     17.16717866      9.86503448    -13.39541036
  H     11.97070654     11.64884126    -13.68293039
  O     13.25246207      8.36317356    -10.48320777
  H     18.54552437      8.08743718    -16.13106698
  H     10.98988457     12.25650947    -12.65274584
  O     15.61395862     10.77035944    -13.45258109
  H     18.35427458      9.26803769    -15.18917646
  H     17.69980661      7.81973545    -10.04932132
  O     15.37605936      6.38081930    -15.94450600
  H     10.01161909      6.83611125    -14.62441276
  H     17.09705971      6.45372734    -10.44609794
  O     15.10318949      8.20845625     -8.36053464
  H     11.02512096      7.68561100    -13.82380741
  H     11.81421423      8.57230795    -11.71182907
  O     13.19482627      5.36660196    -14.57583054
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  H     11.31975066      9.73008383    -12.59592568
  O     17.58911141      6.57643372    -14.23655201
  H     15.81369074      9.86747767     -9.01763002
  H     17.18869385      5.74585483    -12.77215938
  O     16.00845518      9.89882382    -17.35782577
  H     13.61622562      7.67926632    -11.06667997
  H     16.97559434      4.42932273    -11.98667966
  O     14.50310587      8.49088157    -14.35508113
  H     13.74670735      8.29610005     -9.65752858
  H     19.20791714      9.85788685    -10.18152003
  O     11.67604417     11.60255260    -12.75560297
  H     15.12371384     10.95464330    -12.64211982
  H     17.66656129      9.94621744    -10.26590074
  O     17.16029435      7.08891317     -9.72273361
  H     15.22882144      9.95200481    -13.80925863
  H     14.89958041      8.69566057    -17.82123832
  O     11.26956921      8.77343224    -12.48288124
  H     15.05669349      6.79278109    -16.75662711
  H     14.22783185      7.86878611    -18.94714761
  O     16.83473181      5.37162594    -11.94599643
  H     14.62651286      5.90473592    -15.55179449
  H     13.18172778     11.32439995    -11.68495078
  O     18.44707092      9.47837892    -10.61401736
  H     15.82127668      7.73120696     -8.81539593
  H     13.73097982     10.06249744    -10.98672449
  O     14.26793000      7.97263060    -18.00066059
  H     15.09760325      7.90259709     -7.45777602
  H     15.46458972     11.75672063    -14.91073101
  O     13.96034842     10.96971393    -11.23815952
  H     13.50892351      5.59209290    -13.68985200
  H     15.75103883     13.00003370    -15.78596666
  O     15.28093350     12.17002840    -15.77215090
  H     12.37406075      5.86382939    -14.67469211
  H     11.79701277      8.28336029    -15.76589819
  O     12.37895440      8.95745453    -16.14107936
  H     16.89155778      6.48542892    -14.90096862
  H     12.90432610      8.55723887    -16.84596690
          69
 Energy    -248.38434447193472     
  O     -8.30708576     -3.70879625      5.50892880
  H     -7.65511028     -3.14576054      5.96247917
  H     -8.02257774     -0.06985666      4.64754565
  O     -8.98588399     -1.44720339      1.83469510
  H     -8.39843270     -4.49670648      6.03921870
  H     -6.46742996     -1.27140778      7.09431182
  O     -7.64578981     -3.75250301      2.74087116
  H     -8.47601634     -1.07423011      2.57239885
  H     -5.79323486     -1.99878686      5.92283921
  O     -6.53439801      0.61459619      7.55625683
  H     -9.91692820     -1.35934653      2.07641668
  H     -2.29845268      3.35150619      1.76897740
  O     -5.92385168      5.79658418      3.53624809
  H     -7.87917952     -3.78636520      3.67730261
  H     -3.82575287      3.41019333      2.02207011
  O    -10.42762918     -1.82074746      5.24095209
  H     -8.22075402     -3.08799352      2.33991073
  H    -10.39781427      2.47077094      4.57485666
  O     -5.00767944     -1.52826774      4.37274413
  H     -6.29435599      1.00367128      8.39346634
  H     -9.22841996      3.24735006      5.19482569
  O     -5.47376730      3.78924025      1.54667406
  H     -6.12679049      1.16514298      6.86661507
  H     -9.73462793      1.78350545      2.49137620
  O    -11.48125145     -0.96797305      2.92077256
  H     -5.18014645      5.42365328      4.04325961
  H    -10.92651898      0.86797406      2.84923912
  O     -5.19002724     -0.38003852      1.09618126
  H     -5.87935068      6.74387858      3.62937944
  H     -6.03467423     -3.39160504      2.24870092
  O     -4.27074790      0.90717758      3.33315813
  H    -10.01662018     -1.06257305      5.68135875
  H     -4.64895398     -3.83620572      1.71940931
  O     -7.52443083     -0.22907144      3.83411706
  H     -9.78884234     -2.53883435      5.31557496
  H     -8.27024599     -0.48389448      0.53258077
  O     -6.41491692     -2.12676275      6.65499933
  H     -4.56282021     -0.70951380      4.11330005
  H     -8.15260514      0.09597919     -0.89993141
  O     -2.96509727      3.21434894      2.43618884
  H     -4.95259277     -2.12964592      3.61935877
  H     -8.23992446      0.46147429      6.77685942
  O    -10.01519752      2.73661947      5.42428686
  H     -5.70624703      4.55617676      2.08659786
  H     -9.37885109      1.19781456      5.99187923
  O    -10.61939764      1.78285174      2.86808280
  H     -6.16768896      3.13691076      1.69231003
  H     -4.37767607      3.69873798      5.23918809
  O     -5.13884550     -3.07877905      2.02728159
  H    -12.40612080     -1.18966629      2.86212826
  H     -3.42974742      4.07196076      4.08407624
  O     -7.78921590      0.15624678     -0.02067127
  H    -11.16598197     -1.29499457      3.78416075
  H     -5.16821235      1.69611318      4.74657788
  O     -8.96510728      0.33593878      6.15559983
  H     -6.00570091     -0.21211262      0.61221600
  H     -6.30821242      2.67811219      5.15319648
  O     -3.93456128      4.44616914      4.81819132
  H     -5.17379420     -1.32684754      1.28715692
  H     -7.51906556      1.22798961      2.77565414
  O     -5.56126863      2.16610960      5.49532029
  H     -3.66795723      1.61202883      3.07212244
  H     -7.74557929      1.51036784      1.27626106
  O     -7.68515212      1.94128271      2.13813204
  H     -4.61305345      0.51848183      2.51170266
  H     -7.15428036      4.52636008      4.09912329
  O     -7.59830271      3.70399957      4.34082351
  H     -6.71202618     -0.69455623      4.06062925
  H     -7.73219427      3.20492347      3.52355771
          69
 Energy    -248.38431528802334     
  O     16.05117935      7.12061070    -13.27209938
  H     16.96367649      7.06352074    -12.95765670
  H     16.26801219     11.39461378    -17.63238653
  O     19.18225373     11.52306630    -13.03429778
  H     16.05104779      6.71567230    -14.14847779
  H     16.05304112     10.28730559    -14.28266324
  O     17.57341917      8.80160029    -16.54242154
  H     19.92092573     12.12504688    -13.00022993
  H     15.79952875      8.74779673    -14.06339680
  O     12.41856257      7.85758100    -15.10072772
  H     19.04488019     11.19306225    -12.12729471
  H     12.14262621     10.25290230    -12.82956835
  O     16.29496231     11.24411914     -9.14605703
  H     17.44066050      9.40138940    -17.28438358
  H     13.24155841     11.29795668    -12.57460886
  O     14.42887363      8.36559336    -11.43710414
  H     16.88744181      9.04979742    -15.90060805
  H     18.70519026      7.39824762    -11.01080883
  O     16.51366295     11.93611905    -13.73264845
  H     12.92171612      7.30480796    -15.70759279
  H     19.25603121      7.28229349     -9.57404922
  O     16.52550130      6.27203950    -15.93544871
  H     12.60047624      8.76705127    -15.37006491
  H     10.99895496      7.97282645    -12.25674338
  O     16.04220218      8.55304552     -9.16008008
  H     16.16931056     10.28221706     -9.04386104
  H     12.01994235      8.07144286    -13.41524140
  O     14.03032111      6.63625917    -17.16472620
  H     16.14471137     11.63596559     -8.29041431
  H     19.32218877      9.87397128    -13.98236666
  O     18.51014405      4.85948502    -14.55131996
  H     13.50471626      8.29489886    -11.70677431
  H     18.87210341      8.97044209    -15.16412619
  O     16.59211112     10.77725270    -18.31235929
  H     14.94538828      7.81999873    -12.04712690
  H     18.79217605      6.10073962    -13.23493428
  O     15.69500064      9.48134568    -14.68037792
  H     17.44536233     11.87892071    -13.48440293
  H     19.05109856      7.63818501    -13.24910540
  O     12.47787462     11.10534657    -13.13309756
  H     15.97916493     11.78593929    -12.93933864
  H     18.73000541      9.63235761    -10.39532868
  O     18.62734759      7.75857242    -10.11116960
  H     16.98911428      7.06609923    -16.23902528
  H     17.92832694     10.90848999    -10.06407879
  O     11.84453997      8.34236523    -12.49627282
  H     15.66525565      6.27699115    -16.37374539
  H     13.75973942      9.74533053    -17.36824753
  O     19.35662231      8.97504599    -14.32929319
  H     16.88165061      8.17215456     -9.44623926
  H     15.01592948      9.67527510    -18.25391638
  O     18.76844482      6.89737733    -12.68773463
  H     15.40913849      8.38570633     -9.87264457
  H     14.77901850     10.17798943    -11.60600567
  O     18.68442237     10.58097977    -10.56574845
  H     13.58585819      6.10951151    -17.82448576
  H     15.31631449     11.34367238    -10.75349709
  O     14.20170683      9.20601795    -18.03696392
  H     14.11854387      7.53195506    -17.53800823
  H     15.91899566     12.37190325    -15.47077876
  O     14.91654947     11.13654176    -11.60668206
  H     19.02223601      4.28874862    -15.11908486
  H     14.63530098     11.96126772    -16.19955687
  O     15.50939110     12.34091508    -16.34618865
  H     17.81814960      5.24249388    -15.11272296
  H     12.94108892     10.85651195    -14.86603896
  O     13.36190968     10.50544452    -15.66470123
  H     16.85837944     11.30877846    -19.05771548
  H     14.19112668     10.09353643    -15.36441808
          69
 Energy    -248.38424348005930     
  O     14.78544685      3.57103368    -10.57358187
  H     15.33353163      3.80151024    -11.33649984
  H     13.67571307      9.27969312    -12.89423192
  O     13.99910259      9.61144161    -16.10143601
  H     13.87067776      3.75131421    -10.82384917
  H     16.51356296      9.92703238    -10.66726792
  O     17.48317127      9.46388869    -13.63468908
  H     13.89992918     10.45204268    -16.54357910
  H     15.87161599      8.66870484    -11.30572551
  O     15.83171483     11.68593961    -10.58524046
  H     13.62648302      9.73035820    -15.21586586
  H     13.95294222      7.57003765    -11.20795354
  O     10.78448794      8.56713180    -12.91330082
  H     17.30114350      9.29036483    -12.70038636
  H     14.49143878      7.29172317    -12.64673216
  O     18.70154898      4.27628186    -14.12438082
  H     18.38849360      9.17112237    -13.79859926
  H     11.32792133      3.95590863    -10.91372158
  O     11.87849802      5.91350577    -13.32310796
  H     15.77571823     11.74922981    -11.55583583
  H     11.99190901      4.93246942    -11.91367348
  O     17.48371194      6.42194930    -10.55919319
  H     16.18423603     12.51586783    -10.27503050
  H     19.94148715      7.55823588    -13.34855128
  O     13.02124866     11.03045388    -10.68673551
  H      9.85319566      8.71707348    -13.05205160
  H     20.87769283      8.54281524    -14.09066904
  O     18.47543225      6.45545445    -15.71463701
  H     10.93812035      8.61882769    -11.95156272
  H     15.08944705      6.66615670    -14.60253646
  O     15.59297846     11.53510923    -13.30220195
  H     18.60187210      5.00445319    -14.76445532
  H     15.21420179      5.52325287    -13.54867439
  O     13.16597441      9.91862522    -13.41890291
  H     19.09141480      3.54482591    -14.59467635
  H     15.39031890      8.46506014    -15.85586828
  O     16.71165993      9.03888517    -10.98586149
  H     11.52416162      6.80840030    -13.27608435
  H     16.54886882      8.45061022    -14.82605084
  O     14.42060387      7.96403402    -11.95561466
  H     12.76405674      5.97343567    -13.70862095
  H     19.49312450      5.44910250    -12.80906633
  O     12.12217906      4.45868535    -11.07243755
  H     16.93233359      6.09646245     -9.83731508
  H     19.06883089      6.25890836    -11.56444800
  O     19.97196746      8.25135429    -14.03279327
  H     17.30436325      7.37006858    -10.63722410
  H     11.94211302      9.60026314    -10.25796145
  O     14.58630899      6.11326056    -13.98893850
  H     13.00657714     10.88429128    -11.63894540
  H     11.97090435      8.08696038     -9.93447924
  O     16.07972846      7.90514180    -15.47418374
  H     13.93273373     11.26762594    -10.48140283
  H     16.80411561      5.32856016    -11.89244717
  O     19.73436567      6.20753041    -12.26272516
  H     17.61411838      6.88626097    -15.79766082
  H     17.19111253      4.42126737    -13.09071005
  O     11.41364536      8.78897558    -10.29116716
  H     19.05543073      7.10541386    -15.29917232
  H     15.30643555      4.66107916     -9.32395906
  O     16.45207772      4.69350397    -12.53233287
  H     16.28395923     10.91649982    -13.57810724
  H     15.70330973      5.01735186     -7.86886441
  O     15.56791978      5.39303429     -8.73481569
  H     14.75309247     11.10411357    -13.49487105
  H     14.01428257      6.36249609     -9.29657326
  O     13.24020663      6.68671420     -9.77170422
  H     12.25785814      9.58758607    -13.39283583
  H     12.80061811      5.91060363    -10.14683555
          69
 Energy    -248.38390066234899     
  O     14.04636036     12.56012578    -14.05941460
  H     13.47821030     12.23144992    -13.35297145
  H     17.29096534     11.24223839    -15.07627296
  O     14.76104985      6.70101877    -13.91518996
  H     13.77595546     12.08552619    -14.85867728
  H     16.00528967      9.65568088    -14.81084052
  O     18.13909182      8.30995598    -11.89613671
  H     15.62272691      6.33627671    -13.67643213
  H     14.47681066      9.81451543    -14.88994528
  O     11.78983955      8.61732958    -16.18916057
  H     14.90613616      7.63800559    -14.12525052
  H     11.75207621     11.82058240    -11.50600963
  O     15.25121699      7.93582021     -8.70483189
  H     17.51494792      9.04853164    -11.91800624
  H     12.94020307     10.83636190    -11.45162457
  O     13.17282693      7.30764195    -11.77267568
  H     18.16017729      7.99693703    -10.98306911
  H     16.82356333      5.20367889    -11.56165222
  O     16.26383045     10.35908817    -12.11549856
  H     10.91927821      8.43489595    -16.53255947
  H     17.09637327      5.72495865    -10.14017464
  O     14.03681465      5.56084447     -9.74761920
  H     11.69892536      8.69514557    -15.22196834
  H     12.04863861      8.31693110    -12.88896983
  O     16.74025418      7.79867738    -17.10385926
  H     14.81943265      8.64779984     -9.19224495
  H     11.81892828      9.82478386    -13.09926727
  O     14.14247714      7.00321885    -16.62711396
  H     14.75670172      7.13400617     -8.91808746
  H     19.17085271      7.93009545    -14.88768734
  O     18.56668198      6.29243347    -15.72467641
  H     13.31928406      6.66341993    -11.07004769
  H     19.01740894      8.65707452    -13.53443076
  O     17.41478785     10.45637995    -15.62551920
  H     13.70920101      7.01722006    -12.52655393
  H     17.61961172      6.78589999    -12.77018993
  O     15.17825761      9.36610023    -14.40203130
  H     15.76868608      9.95177263    -12.84553197
  H     17.79288653      5.93387708    -14.05500986
  O     12.38475350     11.35965589    -12.05239959
  H     16.56176140     11.20557761    -12.46631439
  H     18.36289616      7.30565039     -8.50465917
  O     16.55847466      5.09751629    -10.63894617
  H     14.91154091      5.31523209    -10.10003586
  H     16.93643750      7.59018276     -9.03286641
  O     11.67275810      8.96165325    -13.50239824
  H     13.67946097      4.78210752     -9.32984079
  H     16.39029279     10.70618798    -17.22230844
  O     19.22283959      8.79734854    -14.46812477
  H     16.83785142      8.66165307    -16.69216610
  H     15.87711874      9.65367276    -18.21208522
  O     17.33991812      5.96569790    -13.20376207
  H     15.81407333      7.52973838    -16.98630850
  H     13.76450655      8.86086509    -11.02906966
  O     17.82886492      7.30066797     -9.29448532
  H     14.27130488      6.67087816    -15.72780269
  H     14.87896993      9.95972088    -11.02532792
  O     15.69086467     10.53057375    -17.86768789
  H     13.32615771      7.51454478    -16.59249644
  H     17.06860322     13.45023376    -13.78131780
  O     14.04669070      9.68929938    -10.61024848
  H     17.91161051      6.74887529    -16.28033003
  H     15.77181775     12.61667970    -13.93120832
  O     16.74187511     12.55718800    -13.84713276
  H     19.07597657      5.73279134    -16.30510960
  H     12.84328101     10.13937572    -16.31025922
  O     13.51234673     10.81708146    -16.15358578
  H     18.15087203      9.94592692    -15.25172314
  H     14.17430409     10.75191242    -16.85694931
          69
 Energy    -248.38357059415114     
  O     17.77354486      8.59754665    -10.36345478
  H     16.95467290      9.05719656    -10.58732450
  H     17.93562504     12.01643980    -10.60797112
  O     13.74543165      8.45640807     -9.74363252
  H     17.56731171      7.67549499    -10.16330400
  H     18.55717778      9.90934222     -7.64298422
  O     19.12223484      3.89385005    -12.26295554
  H     12.83214966      8.52542254     -9.47845240
  H     18.66422901      9.00179126     -8.88042951
  O     21.35556059      7.47941115    -11.97597839
  H     14.27853599      8.62117506     -8.94410664
  H     19.44042816     10.23849410    -12.37530452
  O     15.31295801      9.01601448     -7.64148313
  H     18.90461607      2.96806667    -12.33908605
  H     18.80149354      9.00494786    -11.70799823
  O     19.25580889      6.49088177    -15.90955963
  H     18.28976310      4.38453143    -12.36563515
  H     20.33059447      4.86238993    -13.40815341
  O     22.90792515      8.68200130     -9.94155928
  H     21.99953702      7.90594715    -11.39806834
  H     21.15439423      6.16519590    -13.31205897
  O     17.22699764      7.07039971     -7.16431430
  H     20.70215965      8.15203784    -12.21471953
  H     14.81457421      9.58347148    -10.72500956
  O     21.25334333      7.33733835     -8.27341878
  H     15.88288795      8.27402935     -7.39142456
  H     15.40985047      9.72265868    -12.14941960
  O     17.53811361      5.92310341     -9.72010509
  H     15.85194777      9.80707960     -7.53869230
  H     16.07978276      8.41942360    -13.94454105
  O     17.21345064     11.19751414     -7.45987580
  H     19.88402495      6.10954269    -15.27171835
  H     14.82793110      9.05575658    -14.59287928
  O     17.14458098     11.97451551    -10.05847996
  H     19.63455532      6.34939823    -16.77217653
  H     20.40660412     10.30899970     -8.96064631
  O     19.10039968      9.21551311     -8.03931919
  H     22.40466090      8.17412185     -9.27853425
  H     21.72497895     10.15452150     -9.74179815
  O     19.31036925      9.28992492    -12.48497098
  H     23.82641578      8.62840344     -9.69193465
  H     14.21074206      7.16020207    -11.11495422
  O     20.84487317      5.48981510    -13.92993546
  H     17.25231334      6.52731073     -7.96447887
  H     14.56675487      7.39246843    -12.59096927
  O     15.51242320     10.01665442    -11.23554074
  H     17.96968579      7.67800815     -7.24223646
  H     18.16519883      7.30325057    -14.79391945
  O     15.20607402      8.80322769    -13.75477530
  H     20.51925918      7.92612659     -8.05777976
  H     18.28541955      8.29523206    -13.59513754
  O     20.99291710     10.76149343     -9.57835407
  H     20.88510575      6.60221283     -8.78065236
  H     20.02915182     12.73314316    -11.86947771
  O     14.47260431      6.70217406    -11.92230553
  H     18.49488507      5.78473909     -9.78469976
  H     20.14315216     11.57348997    -10.84957354
  O     17.67769876      7.70278531    -14.05868581
  H     17.18372271      5.69275668    -10.58806225
  H     15.96794534      5.76365196    -12.25010372
  O     19.59801780     11.93637230    -11.57212199
  H     17.18935297     11.53500504     -8.37361827
  H     17.23799617      6.23365122    -12.98754179
  O     16.89154200      5.52764653    -12.42491580
  H     17.12431161     11.95241290     -6.88448731
  H     20.60973215      6.24982194    -10.84452580
  O     20.22973654      5.57536685    -10.26195484
  H     16.51103654     11.41761239    -10.53134776
  H     19.97713049      4.84511225    -10.84037608
          69
 Energy    -248.38345624667051     
  O      2.20189669     -0.26820355      4.69094495
  H      1.76251582      0.59339976      4.65912757
  H      1.68674198      0.73944211     -0.15309886
  O      2.15580383      1.91468296      7.34404500
  H      2.02339690     -0.72571740      3.85961188
  H     -3.01642150      2.48329461      1.81387021
  O     -1.25743095     -4.60056386      6.43928608
  H      2.71372054      1.13006303      7.36437345
  H     -2.12711656      1.21905280      1.85666557
  O     -2.08685153     -1.86789505      8.75529827
  H      1.66192957      1.90840162      8.17304447
  H     -2.18461406      1.74637811      4.15653747
  O      2.98887211     -3.68713972      6.75169766
  H     -0.66304901     -4.23749699      7.10581115
  H     -2.20615533      0.43793060      4.95933252
  O      1.49336635     -1.68162455      2.43346300
  H     -2.10934545     -4.16511478      6.56651876
  H     -0.64894124     -0.05534009      0.74612839
  O      2.09417438     -3.83372675      4.19909803
  H     -1.90033023     -0.95577294      8.49494706
  H     -1.53142226     -1.08114023      1.48257696
  O      3.32233324     -0.82560335      7.13370083
  H     -1.23802082     -2.31892060      8.78822918
  H     -0.45303381      2.52423865      2.18158358
  O      0.43467767      1.53891843      9.58491672
  H      2.70959238     -3.72996003      5.81942132
  H      0.74682448      2.49408591      3.13791828
  O      1.62242170     -1.04926962      9.38739106
  H      3.67775573     -4.33795680      6.85975149
  H      0.33359940     -1.96234394      6.79255486
  O     -1.18103899     -2.50915814      2.67362682
  H      1.52223967     -1.01355678      1.73695594
  H      0.85182355     -0.98857314      5.68266471
  O      1.21416231      0.43005634      0.61468735
  H      0.56601360     -1.94636481      2.51760196
  H     -0.67346410     -5.88787866      3.62543791
  O     -2.31989214      2.06012255      2.30887880
  H      2.08736464     -3.13214861      3.53700768
  H     -0.77789826     -4.87564701      4.79091782
  O     -2.00588893      1.38259310      5.03269366
  H      1.26346287     -4.30995056      4.07680075
  H     -1.72217490      1.10443191      6.93287054
  O     -1.55370919     -0.22494246      1.03692497
  H      3.06723196     -0.57727213      6.23150846
  H     -0.67773332      0.01852359      7.20108711
  O      0.51180824      2.51238199      2.20023544
  H      3.39435708     -1.78701200      7.10038207
  H     -3.16560055     -2.60624945      7.59162745
  O      0.07228076     -1.26946298      6.17644119
  H     -0.25937045      1.30268960      8.94577702
  H     -4.48748952     -3.27261121      7.13710202
  O     -0.48733258     -4.98449446      3.86789177
  H      0.02543737      2.08357149     10.25191712
  H      1.40685523     -3.55022903      7.72134324
  O     -1.27754529      0.63683468      7.64911333
  H      1.25025629     -0.19139889      9.61875160
  H      0.92466202     -2.49886060      8.73739219
  O     -3.61390565     -3.03358440      6.83982016
  H      2.26076417     -0.88500342      8.67838346
  H     -0.14450937      1.86159070      5.08343448
  O      0.60966505     -3.20821454      8.15084637
  H     -1.00621538     -3.41696909      2.94977029
  H      1.21409600      2.16762662      5.80974187
  O      0.78332385      2.09018997      4.94544878
  H     -1.66505130     -2.09929079      3.40576043
  H     -1.46041119     -1.42869761      5.34847321
  O     -2.33351368     -1.40111951      4.92134526
  H      1.04466088      1.20995927      1.17385074
  H     -2.92155424     -1.92736312      5.47475405
          69
 Energy    -248.38327961675773     
  O      1.22677761      6.31265636     16.52803250
  H      1.10230657      5.49147805     16.05990686
  H      0.44945120      6.94053705     18.09604871
  O      4.26600118      9.97475694     20.89268237
  H      2.13458645      6.30203759     16.88120684
  H     -0.56152249     10.23555008     20.23623384
  O      3.84398900      9.90588423     14.95573749
  H      4.74292106     10.61951021     20.35473717
  H      0.64175499     11.15736305     19.93955479
  O      1.44019232      8.64495208     22.23248235
  H      3.61156701      9.55214966     20.31805131
  H      5.48661101     12.52504564     19.46570731
  O      1.45113611     12.43067431     22.41441873
  H      2.94631349      9.53719953     15.06530098
  H      4.88185375     11.52326825     18.43424854
  O      4.50277456      5.67510768     20.17356110
  H      3.90893928     10.20708850     14.05417040
  H     -0.84978357     10.15224530     17.64023762
  O      1.38685078      8.95542982     15.42171928
  H      0.98049562      9.29106511     21.67989241
  H      0.18929267     11.27475751     17.48421378
  O      2.19711179     14.24681293     20.57532687
  H      2.01673914      9.16395523     22.80232726
  H      2.11414411     11.98093067     18.18895286
  O      1.71397341      6.23344687     20.91189381
  H      2.08913847     11.86665091     22.86877820
  H      1.61134070     13.04472247     19.19982349
  O      2.68209153      8.83936057     18.86924466
  H      0.87449257     11.82856118     21.92381380
  H      4.01399017     14.14847720     20.35586160
  O      3.69274363      6.49868329     17.63496310
  H      4.92663817      4.90981485     20.55299642
  H      5.36890990     14.76012172     20.74234897
  O      0.21660905      7.34632391     18.93962433
  H      5.10977572      6.42500625     20.30376612
  H      3.70749997     10.34002064     22.51245210
  O      0.21209221     10.64694770     20.64008099
  H      1.25659282      8.05316273     15.73184433
  H      3.98247747     10.37616629     24.03474400
  O      5.59959538     11.64787704     19.07502665
  H      0.78678281      9.51884266     15.93255731
  H      3.16035255     10.26238302     17.90774486
  O     -0.24284322     10.55524539     17.00852553
  H      1.65636405     15.02447571     20.68779625
  H      3.63018975     10.81682639     16.53794268
  O      1.32830356     12.30318637     18.65387994
  H      1.95330651     13.63074374     21.29081082
  H     -2.55129886      8.87265266     19.25135568
  O      4.97147939     14.05138113     20.24225034
  H      2.64461073      6.05437931     20.74595274
  H     -1.05818533      8.49908939     19.07723965
  O      3.30383036     10.51850774     23.38062755
  H      1.67229577      7.02346621     21.47462954
  H      6.55380539      8.28739584     19.69668791
  O      3.48057857     11.06131631     17.45855348
  H      3.12299126      8.08023545     18.46642051
  H      5.47317053      8.56335184     20.74456500
  O     -1.68322442      9.24590610     19.12841970
  H      1.76604183      8.56676015     18.98927664
  H      8.06717485      9.77025658     18.17723388
  O      6.06678389      7.87369170     20.41821256
  H      4.02371760      6.09863310     18.44846086
  H      6.68660665     10.32402080     18.59312680
  O      7.15759085      9.51921931     18.31878221
  H      4.41562290      6.96974101     17.19111885
  H      5.03001467      8.74150313     15.88862213
  O      5.50772743      8.11333000     16.44492051
  H      0.67152581      6.85427810     19.64173581
  H      6.09466316      8.62446563     17.01441472
          69
 Energy    -248.38321673788892     
  O     -2.02522936      4.32176138      4.72153917
  H     -1.71983436      4.26955310      3.80387855
  H     -3.26193793     -3.99830602      1.55019426
  O      0.52807271      2.10147572      0.96718751
  H     -1.68057102      3.52938069      5.14874572
  H     -1.42124999      3.09829303     -1.24157581
  O     -1.35234589     -0.24957283      3.85096758
  H      0.24789105      2.22024368      0.05074104
  H     -0.38695057      2.89361511     -2.37384339
  O     -4.22846701      1.03785462      0.35723158
  H      0.45415843      1.15625753      1.14645804
  H     -5.04871242      5.17976616      5.22135649
  O     -2.12121421     -2.70288887     -1.10430124
  H     -2.08097502     -0.88888470      3.87084872
  H     -3.76860785      4.46055210      4.73673989
  O     -0.27056920     -0.62952251      1.33944691
  H     -0.86029718     -0.40042650      3.03148949
  H     -2.19421686      4.11652778      0.48799087
  O     -5.53046352     -0.61537658      5.19817929
  H     -3.87389344      1.23900464      1.23915918
  H     -3.51145713      4.03391244     -0.31099411
  O     -7.05185612      0.46861830      3.25100536
  H     -4.66567973      1.84198564      0.05551731
  H     -5.70888590      3.57509517      3.33707575
  O     -1.36889222      1.69691382      5.81685758
  H     -2.08238364     -1.73687485     -1.14644168
  H     -6.42939782      2.27769839      2.85959405
  O     -1.93393849      0.07365729     -0.81115267
  H     -2.99467764     -2.92801730     -0.76161228
  H     -2.10711518      2.93632612      2.35005349
  O     -5.41970748     -1.11154514      1.53897880
  H     -0.87176143     -0.37122699      0.62557650
  H     -0.67440147      3.16101376      1.80122707
  O     -2.60981673     -4.06823414      2.25890532
  H     -0.10805986     -1.57289441      1.21647148
  H     -5.64809673      3.47840937      0.93685215
  O     -0.75540840      2.48207358     -1.59707138
  H     -5.07001923      0.19596688      5.46060357
  H     -6.07802530      3.97162944     -0.46371411
  O     -4.73916012      4.38889607      4.78771734
  H     -4.85240450     -1.19669131      4.83110224
  H     -3.20772724     -2.72424565      3.27907987
  O     -2.55821371      4.13091042     -0.40907005
  H     -7.98153161      0.36357282      3.43807429
  H     -4.15213762     -1.55828995      2.91083116
  O     -6.13604707      3.15370380      2.58202688
  H     -6.57186044      0.07481094      4.00214846
  H     -4.45905468      2.68153839      5.45529980
  O     -1.46663694      3.62245747      2.11422032
  H     -0.77129791      1.48991494      6.53126651
  H     -3.24379465      1.75912944      5.77124783
  O     -5.35686017      3.56779279      0.01147591
  H     -1.25344700      0.99944479      5.14990481
  H     -5.29459871     -3.92028239     -0.07274247
  O     -3.56532863     -1.88499802      3.60475748
  H     -1.49199075      0.83378313     -1.20969695
  H     -4.94455753     -2.62109017      0.68325289
  O     -4.17982945      1.76048955      5.53090013
  H     -2.77602290      0.39989733     -0.46335870
  H      0.39732670     -3.99108701      0.40076260
  O     -4.56151088     -3.39283501      0.23551092
  H     -6.09024494     -0.67830301      2.07975363
  H     -0.87621505     -3.20150526      0.00936915
  O     -0.25728386     -3.38658537      0.73990977
  H     -5.02312188     -0.40461154      1.00782746
  H     -3.71304870      1.67799677      3.62870984
  O     -3.19630648      1.53217312      2.82928234
  H     -1.75310345     -3.91093951      1.84364130
  H     -2.51128090      0.89620977      3.07648943
          69
 Energy    -248.38315257871255     
  O     13.56932790     12.02421932    -16.13670791
  H     13.11103369     12.39238924    -15.36368660
  H     16.57910058      7.67375601    -15.97228779
  O     17.79829980     10.82370981    -11.91017244
  H     14.43426645     12.44675810    -16.19629633
  H     14.13572849     10.54169597    -15.15092171
  O     17.92406344     10.70851726    -15.95661990
  H     17.17926008     11.35625241    -12.43119868
  H     15.14142120      9.35627493    -15.06748278
  O     11.02629357      9.11374227    -15.59674580
  H     18.53966350     10.62637117    -12.49570002
  H     12.78211806     12.78935489    -12.98899060
  O     12.78590459      9.66211930    -12.39745468
  H     17.35809770      9.95287234    -16.17144201
  H     11.56767960     12.19972396    -13.72614016
  O     15.80625630     12.07015929    -13.35608771
  H     17.38512997     11.49847436    -16.06327276
  H     15.30274319      7.84077561     -8.53991375
  O     14.97553367      6.75961160    -13.45813709
  H     11.35331398      9.50239773    -16.41692697
  H     14.53140131      7.94284667     -9.87659639
  O     13.41360719      7.31453793    -11.08249355
  H     11.61305072      8.37500536    -15.39147555
  H      9.50468590     10.63770871    -13.28376361
  O     17.13677286      6.08637546    -15.15372987
  H     11.92382971      9.95912530    -12.71402239
  H     10.55882682     10.13708834    -14.30453092
  O     12.79478364      6.92506540    -15.16665544
  H     13.38960812      9.66836706    -13.15512679
  H     19.04265948     10.32742170    -14.68922767
  O     18.73691392      7.40714247    -13.44162710
  H     15.16330929     12.27430633    -12.66408513
  H     20.50154834     10.36503694    -14.17430788
  O     16.24020205      8.51973333    -16.28736215
  H     15.48935472     11.24714600    -13.75971241
  H     17.00240125      9.19157372    -11.87218411
  O     14.55632345      9.91795334    -14.54370514
  H     15.47150211      7.39514309    -12.92098177
  H     16.27392674      8.21255371    -10.92588631
  O     12.31411091     12.80445217    -13.83215903
  H     15.63284241      6.34865413    -14.03312944
  H     15.60435353     10.22220511     -9.55628404
  O     15.26539233      8.32244849     -9.36191193
  H     13.08737387      8.13815962    -11.47784770
  H     16.62637406     11.08384472    -10.32032797
  O     10.42436330     10.70551471    -13.52396747
  H     13.84095987      6.84528691    -11.80708553
  H     13.36707229      8.75554431    -17.79615201
  O     19.62108527     10.08021645    -13.94494622
  H     17.55282528      5.32478120    -15.54707411
  H     13.48995728      7.55043922    -16.84109602
  O     16.64777313      8.29387742    -11.81126164
  H     17.79743995      6.50204530    -14.56903369
  H     14.45974292     11.91035888    -10.74536245
  O     15.81979060     11.13276148     -9.79361711
  H     13.53780981      6.95281788    -14.54327703
  H     13.41975834     11.25949500    -11.67098766
  O     13.91130383      7.98471480    -17.59411494
  H     12.39583533      6.06302492    -15.06755273
  H     16.11226841     12.84003823    -14.91366895
  O     13.82029778     12.11123498    -11.44513074
  H     19.14779448      8.25430826    -13.65123491
  H     16.51624427     13.94697310    -15.91698317
  O     16.19656967     13.04980016    -15.86109835
  H     18.08064158      7.59987096    -12.75676963
  H     11.93444591     10.77311859    -18.60157399
  O     12.28367561     10.32532033    -17.83544177
  H     15.49924837      8.33152543    -16.88328213
  H     12.73702399     10.99774970    -17.29827681
          69
 Ord_Energy   -248.383133    
 O    7.14492512       1.87386525       10.3025112    
 H    6.67854643       1.52611780       9.52503586    
 H    6.77789879       2.75768328       10.4398928    
 O    9.28340244       2.54172945       8.67009735    
 H    8.69484138       2.23424768       9.37483597    
 H    9.40643883       1.77889955       8.09314060    
 O    3.84194827       3.37346554       8.64685535    
 H    4.34284115       2.55298996       8.52557373    
 H    2.94219947       3.14177537       8.91806030    
 O    3.00293875      -2.62666154       7.91446352    
 H    3.35444832      -2.75822783       8.81422615    
 H    2.54076958      -3.42564225       7.67775679    
 O    5.75672722      0.302321315       12.0243397    
 H    4.91792488      0.214717984       11.5461960    
 H    6.34937525      0.826243281       11.4617662    
 O    9.35940933      0.125417337       7.16420746    
 H    10.1635189     -0.358858436       6.99403763    
 H    8.79721069     -0.455652356       7.70757723    
 O    4.52357864       2.95235753       12.4679432    
 H    4.98685265       3.54267192       11.8618078    
 H    5.04429150       2.14232540       12.5179501    
 O    1.97355866       2.06217098       12.0989275    
 H    2.84178376       2.47362876       12.2571964    
 H    1.47763920       2.14731693       12.9086285    
 O    5.35273075      -1.31799054       7.07947636    
 H    4.54624319      -1.80135000       7.29508829    
 H    5.31795454      -1.09125841       6.14118147    
 O    1.34834325       2.50822663       9.34869194    
 H    1.44743717       1.63902187       8.93599510    
 H    1.40727460       2.37555337       10.3034735    
 O    5.30590534     -0.261465967       4.49489450    
 H    6.16159010      0.181292444       4.64377546    
 H    5.32191706     -0.600345850       3.60425615    
 O    3.29523444      -1.22622102E-02   10.7447977    
 H    2.75179100      0.591524124       11.2657156    
 H    3.04006624      0.111479953       9.82042313    
 O    5.84541225       4.35032988       10.2925940    
 H    5.07996607       4.11521149       9.74479389    
 H    6.51417017       4.67831421       9.67922020    
 O    2.28805470      0.124328911       8.12818241    
 H    2.58256984      0.519958377       7.29344845    
 H    2.34196997     -0.830608547       8.00963116    
 O    7.85049677       4.79856920       8.25662041    
 H    8.44276619       4.03496647       8.38850403    
 H    8.41108894       5.56025887       8.13320827    
 O    6.54845953       3.26613116       6.26164436    
 H    5.67781591       3.62299728       6.04341602    
 H    6.96558237       3.87095952       6.88770962    
 O    6.73734379      -2.14983201       11.2056999    
 H    6.44550419      -1.30926454       11.5956364    
 H    7.22580385      -2.60847402       11.8852329    
 O    7.60623407      0.996330202       5.09720325    
 H    8.23923492      0.673662245       5.74996853    
 H    7.34341955       1.88070178       5.38944244    
 O    3.16723871       1.20709515       5.73974657    
 H    3.36659312       2.14861870       5.69592285    
 H    3.86125517      0.756590664       5.24375439    
 O    5.62436533       1.30043328       8.10466003    
 H    5.46118927      0.414122105       7.76220226    
 H    6.00873232       1.83276570       7.39563942    
 O    7.70249224      -1.49199593       8.56832123    
 H    6.89332438      -1.53955042       8.03961468    
 H    7.45076370      -1.72757196       9.46720982    
 O    4.02381945      -2.68449616       10.4084101    
 H    4.95977259      -2.67490673       10.6380491    
 H    3.68558836      -1.81439459       10.6661081    
 O    3.86754060       4.01414442       5.99758673    
 H    3.78651834       3.89798760       6.96091700    
 H    3.27900982       4.72366095       5.75399685    
          69
 Energy    -248.38265563806505     
  O     16.54946153     10.66970359    -10.77109939
  H     16.80063631      9.74047689    -10.67661631
  H     10.47908830      6.53728061    -11.90230093
  O     16.57957651      5.91147419     -7.36071486
  H     16.26864811     10.95955811     -9.89574990
  H     12.88683949      7.56392176    -16.18206950
  O     15.45631975      6.22340218    -11.92183142
  H     17.40400729      5.96997589     -7.86008214
  H     13.36610224      8.25404357    -14.89765065
  O     11.09214304      4.84853758    -11.55880107
  H     16.19101984      6.79547570     -7.38447905
  H     12.92944928     11.59803152     -9.79063819
  O     17.12641434      4.31630568    -10.68473795
  H     15.17715723      6.85778745    -12.59428610
  H     12.30077147     10.93909382     -8.54157884
  O     15.23211102      3.88565084     -8.56841404
  H     14.67724596      5.97014178    -11.40678403
  H     18.25043681      5.33938982     -9.81087350
  O     16.97703096      7.94430357    -10.32910639
  H     11.13126319      3.98695064    -11.96631894
  H     19.64614336      5.78203615     -9.30472825
  O     15.58347365     11.25453656     -8.12526477
  H     11.91959615      4.94786804    -11.06286389
  H     13.20515245      6.12389236     -9.58882425
  O      9.63193421      9.73262445    -10.53925277
  H     16.49773688      3.99755568    -10.02495446
  H     13.98368159      4.77893362     -9.59397408
  O     15.52759630      8.45718448     -8.00941278
  H     16.61575377      4.88443301    -11.27825183
  H     11.99686943     11.52335747    -12.09446724
  O     12.82058711      8.63079556    -11.35316808
  H     15.67405316      4.59522821     -8.06803705
  H     13.56426259     11.41344076    -12.21081381
  O     10.37697105      7.48965226    -12.02246324
  H     15.11225898      3.15729625     -7.96506819
  H     11.14059194      8.90026008    -14.79630041
  O     12.68162150      8.27792847    -15.58309056
  H     16.44660244      7.37838118    -10.90668200
  H     10.26177934      8.48616454    -13.59329115
  O     13.00952759     11.52561346     -8.82896206
  H     17.70083152      7.40043566     -9.99491484
  H      9.73199115     12.07082391    -13.20152638
  O     18.72027369      6.00573144     -9.27666018
  H     15.84345372     11.97157573     -7.55392912
  H     10.33405423     10.65707832    -13.38877709
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  H     10.35886824      9.66542065     -7.48481688
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  H      9.76671805     10.40427870    -11.21645268
  H     10.47293951      9.66486074     -9.02605381
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  H      9.70700361      8.88329212    -10.99783515
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  H     15.73153579     10.98007166    -12.24842254
  O     10.98700096      9.60993760     -8.20009072
  H     15.57591998      9.41370322     -7.89033136
  H     12.28124590      8.29396945     -8.43604078
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  H     13.82290073      7.99782403     -8.38407171
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  H     11.24570436      7.87671022    -11.83378202
  H     13.87040456      8.36918500    -12.72701031
          69
 Energy    -248.38253497571156     
  O     -1.66589399     -2.90403950      0.07940776
  H     -1.20882735     -2.05770222      0.00939779
  H     -1.55816927     -6.48677856      1.93584042
  O     -0.58390648      0.26459260      6.35127607
  H     -2.61135491     -2.75111002      0.23705343
  H      2.99055421     -4.92090751      2.82961127
  O     -1.63207551      0.08371977      2.38948987
  H     -0.25431483     -0.48940005      5.84126367
  H      2.80137575     -3.41913126      2.52325826
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  H     -1.30759757     -0.08097421      6.88798267
  H     -1.11445795     -3.33988085      1.77062711
  O     -2.87737935     -1.00456404      7.52237918
  H     -2.44452722     -0.40228860      2.58112553
  H     -0.51040415     -4.42051767      2.75362114
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  H     -1.58017824      0.77879086      3.05577189
  H     -3.76793367     -4.38258021      3.42467723
  O     -0.05754043     -5.50900240      5.77409994
  H      2.60162253     -3.86527964      4.82297095
  H     -2.37224011     -3.72552603      3.53688654
  O     -4.04750978      0.44410149      5.30124165
  H      2.92848249     -3.62110325      6.31706589
  H      2.17001549     -6.07003864      1.19090227
  O     -0.12924930     -0.55482563      0.27267829
  H     -2.62957655     -1.89066040      7.21208786
  H      2.91911819     -7.28774781      1.79197114
  O     -0.17167999     -6.13091504      3.10714570
  H     -3.20706697     -1.10991803      8.41139472
  H     -3.79278861     -2.11355546      3.53888193
  O     -4.56096714     -5.27285336      2.01048500
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  H     -4.15814873     -0.64438401      3.87545728
  O     -2.25298115     -6.45566084      1.26425928
  H     -0.18608878     -2.39912059      4.13324829
  H      1.68388635     -4.13711026      0.21979475
  O      3.12409068     -4.03585007      3.19186729
  H      0.75676405     -4.99483884      5.85170980
  H      0.78289213     -5.18033168     -0.48824645
  O     -0.73355242     -3.48232923      2.64892184
  H     -0.75435461     -4.95722203      6.14576923
  H      0.86994461     -2.91074142      1.85716153
  O     -3.21961628     -3.82548966      3.99153505
  H     -3.73482726     -0.02077373      6.08675804
  H      1.21745294     -1.78129425      0.89010148
  O      2.39661682     -6.52502150      2.02336552
  H     -3.34506813      1.06169588      5.06182779
  H     -1.27107569     -4.40498620     -0.70849930
  O     -3.99661507     -1.25643121      3.14312623
  H     -0.64284580     -0.27641246      1.05499255
  H     -1.32501281     -5.35719396     -1.92792590
  O      1.65584882     -5.04880354     -0.09851986
  H     -0.05771852      0.20727807     -0.29489283
  H     -1.45916706      2.84307313      4.69470001
  O      1.58582330     -2.57170712      1.30204745
  H      0.71481450     -6.36859563      2.80922133
  H     -1.22097338      1.40198600      5.20601431
  O     -1.00927079     -5.28595456     -1.03057583
  H     -0.15552251     -6.04145924      4.07233416
  H     -2.55637668     -3.60398385      5.67133666
  O     -1.69250531      1.93239353      4.53836703
  H     -3.76412459     -5.74988011      1.71498945
  H     -1.22132078     -2.89550808      5.98915781
  O     -1.96409060     -3.36421415      6.39946082
  H     -5.27734219     -5.90163952      2.00617032
  H     -4.50274645     -3.55915206      1.11191493
  O     -4.26885027     -2.68981332      0.76393469
  H     -1.82579067     -6.18429613      0.44353350
  H     -4.32562067     -2.07688995      1.51095752
          69
 Energy    -248.38251361737792     
  O     11.46484164      5.09573011    -14.33059965
  H     11.16254982      5.75969956    -13.69681593
  H     12.18052590      5.46658566     -8.33075205
  O     10.83880205      9.36027458    -11.14081483
  H     12.33367503      5.37650356    -14.64658224
  H     12.34804438      7.98244984     -8.48840254
  O     16.91709100      6.74343617    -12.02347171
  H     10.25028065     10.09908446    -11.27318782
  H     11.66385457      9.03011601     -9.40561955
  O     13.95279611      3.04969355     -9.07363783
  H     11.71639644      9.64334693    -11.45456464
  H     13.13774745      3.13572058    -12.14748515
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  H     16.12883959      7.17126141    -12.38673753
  H     13.99646772      3.20944928    -10.83487303
  O     15.86785696      6.74507311    -16.98042407
  H     17.65496078      6.99278980    -12.59410143
  H     13.59111026      5.24368581    -11.35369195
  O     13.39085804      9.99778576    -11.86077700
  H     14.49847188      3.70576769     -8.62224660
  H     13.25224653      6.23433991    -10.19630373
  O     15.94448934      4.44839800    -13.37994693
  H     13.04499079      3.21439505     -8.78866807
  H     19.69126094      7.44871317    -14.14913166
  O     11.27776531      3.87213845     -8.42046530
  H     15.08312636     10.40045230     -8.85890685
  H     18.49770023      6.55513579    -14.57256703
  O     16.43502093      8.65383148    -15.10454720
  H     13.89669093      9.42790529     -9.05572917
  H     14.11662178      7.28431150    -12.31298841
  O     15.31514201      5.22873039     -7.77517487
  H     16.06772411      7.50367966    -16.40340684
  H     14.30215871      7.16864688    -13.83895405
  O     12.77961179      6.22215893     -8.38977664
  H     15.82249658      7.07853387    -17.87228437
  H     15.80187589      8.05425896     -9.36578314
  O     12.27608679      8.93119106     -8.66746906
  H     13.93950331      9.98707619    -11.06589425
  H     16.57811400      7.02115990    -10.22140610
  O     13.94919375      3.48814111    -11.76208082
  H     13.76676177      9.32165566    -12.43825583
  H     17.15450698      5.59742838    -16.08222486
  O     13.39109686      6.16723841    -11.14852009
  H     15.31718510      3.96402944    -12.82435889
  H     17.18008845      4.75617746    -14.78667693
  O     18.74725860      7.34884962    -14.06496563
  H     16.33536316      5.13074787    -12.81769263
  H     10.67283512      7.60352464    -11.81106634
  O     14.50522610      7.73496662    -13.08128429
  H     10.62545359      3.49215778     -7.83875208
  H     11.72991368      6.48696520    -11.76184809
  O     16.26425107      7.20834948     -9.32742707
  H     10.85396051      3.97085050     -9.29245395
  H     14.58490002      6.05176110    -15.81022495
  O     17.74603973      5.21728283    -15.42105044
  H     15.79572862      8.60281381    -14.38632064
  H     14.71234035      5.24707559    -14.48764550
  O     10.83636295      6.69178942    -12.07711724
  H     17.27993212      8.36669848    -14.73242108
  H     11.46432003      3.56574947    -13.53483909
  O     14.10867842      5.79487598    -15.01135955
  H     15.71974434      5.91502950     -8.33706345
  H     11.21554180      2.03667840    -13.49055218
  O     11.50804949      2.77558991    -12.96460657
  H     15.86013760      5.15720676     -6.99636865
  H     10.56652804      3.62144518    -11.55251485
  O     10.21923676      4.21039937    -10.87139660
  H     13.63293749      5.93026342     -8.04214633
  H     10.24768632      5.09839169    -11.25082755
          69
 Energy    -248.38250435427921     
  O     19.93508718     12.38979998    -19.53894348
  H     20.08280127     12.01462913    -20.40229988
  H     20.36573468     15.87472689    -16.86149829
  O     17.50522239     18.45279533    -14.13155609
  H     19.32618076     13.14268879    -19.65740333
  H     14.94390016     13.19271507    -13.86089437
  O     16.11599745     14.63383665    -13.67001673
  H     17.29370536     18.46565933    -15.07171615
  H     15.21257290     11.69611393    -13.63849490
  O     16.31438410     13.27340379    -17.74094041
  H     18.45658151     18.27950866    -14.07477021
  H     21.40272166     13.86414551    -14.01318481
  O     16.78673269     10.61280901    -13.27665551
  H     16.25181454     15.37284394    -13.06447723
  H     21.11952729     14.72569619    -12.77094729
  O     14.34729796     11.59926506    -16.63858278
  H     16.89551281     14.06499444    -13.59368821
  H     19.00319724     12.81379197    -13.95406209
  O     21.73811806     13.36366646    -17.56172985
  H     15.55432162     12.73570993    -17.48590364
  H     17.85775281     12.10450946    -13.17853151
  O     22.58400007     16.69169128    -14.86328662
  H     17.09807751     12.74396541    -17.53630748
  H     17.38109361     10.48098649    -16.42099392
  O     16.87702530     16.80969747    -12.07105934
  H     16.78490483     10.34146217    -14.21275697
  H     15.84828951     10.43417167    -16.26041893
  O     20.22429365     13.04195811    -15.34047453
  H     16.79357534      9.81359889    -12.75690115
  H     16.59452076     17.24598874    -16.74879628
  O     18.13735597     14.38390379    -19.66437954
  H     13.45511912     11.33674522    -16.84790531
  H     16.27298522     18.60098470    -17.41994680
  O     21.18106381     16.14457094    -17.31269406
  H     14.34622577     11.88705308    -15.70793004
  H     20.93684359     17.30689970    -14.20073672
  O     14.57948454     12.31294496    -14.02562405
  H     21.24445705     13.01994521    -18.31703711
  H     19.91314930     16.69515020    -13.19789759
  O     21.80434746     14.50362259    -13.41241084
  H     21.67934984     14.32664957    -17.62088959
  H     18.53272551     15.82433601    -11.90491192
  O     18.33299711     12.94095121    -13.27021932
  H     22.42218344     15.87777928    -14.35412356
  H     19.00003019     14.44409603    -12.39372905
  O     16.66944029     10.05749134    -15.92155732
  H     23.48179140     16.95636306    -14.68070325
  H     19.03945092     11.76293644    -18.03928191
  O     16.94664588     18.13529260    -16.92899872
  H     17.02999859     17.44265873    -12.79609010
  H     19.12509131     12.06139961    -16.52424044
  O     20.02452170     17.36092829    -13.89163333
  H     16.43938652     17.29043865    -11.37359455
  H     19.24437660     16.14429333    -15.07080182
  O     19.32503776     15.30569502    -12.09569431
  H     20.87855370     13.01896519    -16.05747220
  H     18.09912233     15.52703716    -15.93956528
  O     18.56399772     11.66832395    -17.20319325
  H     19.75638419     13.88959357    -15.43837837
  H     19.76199935     16.85421580    -18.43405496
  O     19.02743668     15.44158208    -15.69641362
  H     18.35343024     15.29449656    -19.41701007
  H     18.35257286     17.43396770    -18.16682767
  O     18.87258974     16.92985304    -18.80173182
  H     17.36826638     14.12166104    -19.14650199
  H     16.10729491     15.29076222    -15.35672625
  O     16.28719675     15.57951575    -16.26205965
  H     21.77474079     16.43447860    -16.61024136
  H     16.23500031     14.79947312    -16.83215973
          69
 Energy    -248.38249927100117     
  O     10.98463533     10.92181891    -15.47247290
  H     11.39096278     11.06440300    -16.33667217
  H     16.94293802     13.69733453    -17.71368754
  O     14.17916765      9.42945325    -10.32458780
  H     10.82094112     11.79827827    -15.09579582
  H     13.13349652     13.53003709    -12.91165648
  O     18.19696337     13.33952748    -12.78417477
  H     14.14879401     10.29988787     -9.91625717
  H     12.96298437     14.70669626    -11.93186341
  O     11.56897245     12.22417487    -10.81593532
  H     13.31013904      9.29476886    -10.72849879
  H     12.38322495     13.30299220    -16.95479618
  O     11.74408949      9.54904486    -11.67340165
  H     19.13622497     13.48112780    -12.70742636
  H     11.60547869     14.02782263    -15.84181718
  O     13.14102486      9.92807195    -14.05289321
  H     18.05905146     12.75177148    -13.55066021
  H     13.91276673     11.50627192    -13.68348807
  O     14.33043761     15.19920336    -10.72128748
  H     12.37056954     12.18358428    -10.27825335
  H     15.01104719     12.15802473    -12.79120339
  O      9.53853091      9.70220845    -13.32693667
  H     11.77417838     12.90483248    -11.47376859
  H     17.43185040     12.15456318    -15.65271917
  O     14.87865819     14.26003962    -15.31724401
  H     10.94211697      9.38884598    -12.19151277
  H     17.04176478     10.95783088    -14.75459581
  O     15.00237374     10.76311667    -17.11980611
  H     11.67610648     10.46383195    -11.36547499
  H     12.33620956     11.35517023    -18.66729147
  O     10.48280394     13.42895101    -14.30018658
  H     12.74376394      9.69344886    -13.20430628
  H     13.37328849     11.22924623    -17.52781271
  O     16.62273968     13.09478718    -17.04836921
  H     12.41444622     10.21047827    -14.62439218
  H     15.58862681      9.04765773    -11.30900281
  O     12.48233776     14.16248345    -12.56565877
  H     14.97466212     15.22335923    -11.45195581
  H     16.93705812      8.30668973    -11.45490720
  O     12.35812106     14.11764357    -16.43666075
  H     14.42550136     16.02316588    -10.25058068
  H     14.84859721      9.58326970    -14.49090088
  O     14.32102068     12.34570925    -13.43847778
  H      9.92003664      9.97082235    -14.17315062
  H     16.13069615      9.20649382    -13.75517154
  O     17.65915333     11.69591935    -14.83432797
  H      9.19522611     10.51330829    -12.93272774
  H     16.49068069     10.84103635    -11.63947528
  O     12.48143286     11.55290498    -17.74575416
  H     14.77299000     13.51953631    -14.69950999
  H     17.03248519     12.29899348    -11.82155931
  O     16.39694927      8.98650290    -11.84973719
  H     14.01214127     14.37615593    -15.73324025
  H      8.32866470     12.53582545    -11.50973386
  O     15.81012942      9.53080690    -14.60517440
  H     15.33674895     10.22932926    -16.39095580
  H      9.84038873     12.23405050    -11.49785107
  O     16.28664701     11.77504278    -11.50405410
  H     15.59462743     11.52265927    -17.19261260
  H     16.82185206     14.66417642    -12.83901987
  O      9.05596152     12.26937618    -12.06776761
  H      9.81010723     13.12968301    -13.67779668
  H     15.64239908     15.08602961    -13.73837849
  O     16.02735868     15.21136764    -12.86185514
  H     11.17782906     13.81857009    -13.74755782
  H     14.17275797     13.38180589     -9.91850396
  O     14.18766818     12.42208701     -9.81620566
  H     16.01964459     13.59877216    -16.47357217
  H     14.96102839     12.15360397    -10.33509779
          69
 Energy    -248.38237990190748     
  O     14.37280581      3.87345535    -10.00485800
  H     14.25617979      4.59164332     -9.37313029
  H     18.01217844      5.65162735    -14.11194270
  O     12.96839860      4.25856831    -12.35459809
  H     13.85899014      4.09341355    -10.79636653
  H     14.43221649     10.09072776    -12.17146275
  O     16.97058737      3.51550216    -10.91356471
  H     12.71783882      3.38793886    -12.69104492
  H     13.88681300      9.28626079    -10.97253921
  O     19.96518387      7.16639654    -11.81805379
  H     12.23077365      4.87691529    -12.41637583
  H     16.21910664      7.78428674    -12.31093661
  O     13.08365921      7.60001866    -14.45357796
  H     16.06319742      3.62803905    -10.59440283
  H     15.47922142      6.46671990    -12.63157135
  O     12.85047775      1.58124691    -13.06749198
  H     17.44861372      4.30647485    -10.63078736
  H     14.22784245      7.33092406    -11.08906797
  O     14.04509656      1.13475332    -10.66374609
  H     20.91344888      7.25550263    -11.78481616
  H     13.46488146      7.08043681     -9.77034892
  O     18.68706917      9.49875277    -11.34942181
  H     19.59299621      8.04583452    -11.61968092
  H     16.05214110      1.20064874    -13.19640894
  O     16.54272925     10.00777807     -9.50832610
  H     13.72221185      6.87215810    -14.47416963
  H     14.71766617      1.61769926    -13.83133991
  O     14.81373431      5.48233583    -13.99754023
  H     12.38939792      7.31614569    -13.84950006
  H     12.05405879      6.94577525    -11.69550518
  O     17.07502343      8.93705895    -13.49262351
  H     13.21389137      1.33846538    -12.19623142
  H     10.54852121      6.91609211    -12.05501625
  O     18.32306217      6.56355530    -14.15242054
  H     12.27106594      0.87225303    -13.33288467
  H     18.67887749      6.35464706    -10.78916516
  O     14.39984710     10.06996392    -11.20760834
  H     14.09555315      2.00606679    -10.24802662
  H     17.13000746      6.36425829    -10.89851431
  O     15.77568807      7.02910948    -11.90307131
  H     14.95902007      0.87478260    -10.83744296
  H     16.68126422      3.14107934    -14.03048488
  O     13.37629570      7.47675111    -10.64520594
  H     18.15913965      9.45926517    -12.16230135
  H     17.12611764      3.89144333    -12.77075824
  O     15.66798365      1.60333814    -13.98618930
  H     18.05867326      9.68964778    -10.64458182
  H     16.96107702      1.76639193    -11.21762862
  O     11.40246982      6.58944927    -12.32572360
  H     16.53947718     10.81460927     -8.99869895
  H     17.54051321      0.33278488    -11.20085925
  O     17.87256944      6.02893920    -10.37068258
  H     15.79587468     10.07178562    -10.12836329
  H     13.76135679      6.08442195     -7.38472512
  O     17.10064501      3.96253765    -13.73410307
  H     14.18354284      4.96750858    -13.47295482
  H     14.93538965      6.57096244     -8.26802079
  O     16.76731347      0.83829428    -11.43696924
  H     15.61880254      4.95366516    -14.06740574
  H     17.06191525      6.88802411     -8.93022526
  O     14.07002823      6.12137104     -8.28578962
  H     16.25969204      9.24061230    -13.90662360
  H     16.47899185      8.29867733     -8.70850747
  O     16.44131065      7.38996054     -8.38500808
  H     17.41459091      8.14860739    -13.94441069
  H     14.21205949     10.53453446    -14.72829376
  O     14.48980316      9.87934121    -14.09363422
  H     18.96408817      6.66299995    -13.43741186
  H     13.95042351      9.08545709    -14.25673986
          69
 Energy    -248.38211326389677     
  O     13.61127597      7.09611137    -14.34497614
  H     13.75006486      6.42283839    -15.02189666
  H     17.12496257      6.35148950    -16.56584573
  O     17.64175720     11.92824515    -11.95799244
  H     14.39326574      7.66977418    -14.33395591
  H     14.13618643     11.12350238    -16.95964990
  O     17.22198533      7.84354419    -17.71194454
  H     16.74390016     11.55983039    -12.04379578
  H     14.65982213     12.51834443    -17.38492370
  O     11.98146337      9.35547248    -14.44737665
  H     17.54561052     12.81232453    -11.61475318
  H     16.15239869      9.16220916    -14.87224221
  O     16.23443317      7.97337593     -9.85230761
  H     17.17526484      8.67834052    -17.21461570
  H     15.64669739      9.40588714    -13.42487441
  O     13.56237762      6.30989130    -11.72953199
  H     17.81930658      7.99187390    -18.44057937
  H     18.91751894      7.65057711    -13.21491879
  O     15.21927333     10.77226249    -12.27113047
  H     12.48099464      8.52622947    -14.43858886
  H     20.44938563      7.84774747    -13.16777636
  O     14.35434987      7.58562796    -17.90451915
  H     11.53203071      9.39834112    -13.59526784
  H     10.36873097      5.83268561    -11.37153922
  O     16.22075526      5.59811329    -11.07974426
  H     16.98135042      8.53412901    -10.11366754
  H     11.79948596      6.39922926    -11.35014116
  O     16.93897932     10.09410672    -16.22671909
  H     15.43266911      8.49463123     -9.95257169
  H     18.42425341     11.26302486    -13.54468758
  O     14.26029300      5.21451833    -16.29665756
  H     13.56522673      6.51922992    -12.67686536
  H     19.11696284      9.94829254    -13.94438775
  O     16.91085696      5.61813410    -15.97405609
  H     14.42331021      5.93512979    -11.51270483
  H     16.86277757      7.39085711    -13.60256826
  O     14.80264863     11.80987405    -16.76348480
  H     14.62050313     11.19484254    -12.90816388
  H     17.07756287      6.20132887    -12.62452836
  O     15.80373915      8.72123746    -14.08721479
  H     14.69018629     10.20801824    -11.69293577
  H     18.88458411      9.04693594    -11.46743617
  O     19.61901145      8.31017646    -13.08613562
  H     15.31253845      7.68416381    -17.95049769
  H     18.20361199     10.35819598    -11.05410471
  O     10.86347235      6.63925851    -11.25293754
  H     14.20594323      6.74097846    -17.46433100
  H     13.40186996      9.04005183    -17.41495174
  O     18.74001081     10.76010958    -14.30589684
  H     16.26802401      6.43512330    -10.57858625
  H     12.48967781      9.65685063    -16.31406435
  O     17.45115696      6.64729993    -13.39408354
  H     16.51808384      4.90784316    -10.49344220
  H     13.70860594      8.06785875    -11.09911419
  O     18.37548851      9.45601778    -10.75814528
  H     16.28254012     10.77665692    -16.41528718
  H     12.77385607      9.27874613    -11.02332646
  O     12.99342034      9.86377247    -17.10879249
  H     17.60712189     10.43942551    -15.61366676
  H     13.99213913     11.86181593    -15.02664482
  O     13.67490559      8.99563639    -10.82739839
  H     14.06068597      4.31838108    -16.55124061
  H     12.98364971     10.93850478    -14.30963943
  O     13.56496886     11.70011525    -14.17744548
  H     15.22648135      5.26838026    -16.17809946
  H     10.25240002      9.80176724    -11.37541836
  O     10.98297543      9.32250864    -11.75830244
  H     17.18931798      5.88376027    -15.08849138
  H     10.83149390      8.37975333    -11.57048360
          69
 Energy    -248.38194654821490     
  O     11.29469580      8.78088945    -14.63234933
  H     11.95087594      8.69025562    -15.33635169
  H     16.06650923      6.76409108    -16.81139396
  O     17.09663215      7.52893383    -13.92732143
  H     11.29106285      9.71735055    -14.40177744
  H     20.16890048      8.82023564    -13.33586124
  O     15.59516810     11.85130853    -11.40685695
  H     17.86635242      7.98708290    -13.57175677
  H     19.07518865      9.82742423    -13.74479042
  O     16.12028145     11.95341512    -14.07206490
  H     16.65476947      7.06036384    -13.20551679
  H     14.57305287     12.37958228    -14.98520995
  O     14.32083052      5.94900418    -16.67175579
  H     14.76767444     11.37247724    -11.55511078
  H     13.95141638     11.91417840    -16.31319835
  O     15.24013558      8.04043263     -8.84535651
  H     15.98280453     11.45919852    -10.61661673
  H     15.75468481      8.73483125    -14.13345925
  O     15.62199192      6.31084128    -11.95248075
  H     17.03966427     11.78691653    -14.30127231
  H     15.43204428     10.25260044    -14.27981447
  O     13.41549618     10.27090514    -12.18770892
  H     16.04752344     12.00403743    -13.10493153
  H     10.74560215      6.31990974    -12.75753426
  O     17.16087602      9.99925192    -16.95543810
  H     14.05865379      5.17798703    -17.16696558
  H     11.45981450      7.48379537    -13.48166171
  O     17.25531601      6.44139999     -9.67824313
  H     14.18873214      5.73434356    -15.73038023
  H     18.76591047      9.01207731    -11.29574406
  O     18.66292577     11.05621328    -15.00856697
  H     15.57694960      8.94389841     -8.89999260
  H     18.20723451      8.02338637    -10.23245178
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  H     14.50654622      7.97506018     -9.47111748
  H     13.06309558      5.84823020    -13.67822829
  O     19.28370295      9.11070323    -13.12437646
  H     14.89371454      6.86551748    -11.63709160
  H     14.54820509      5.60302622    -13.35511170
  O     13.74117377     12.34812922    -15.47807763
  H     16.21719562      6.19068931    -11.20280926
  H     17.06574350     10.95519048     -8.40794696
  O     15.03545483      9.37244042    -14.22196832
  H     13.96005900      9.87498087    -12.88753254
  H     17.37077958      9.99726156     -9.58391994
  O     11.59604358      6.73547391    -12.87315245
  H     12.71417932     10.75190420    -12.64184055
  H     14.06874452      9.96112093    -17.34613884
  O     18.49915172      8.93281056    -10.37305878
  H     16.31056671     10.33736354    -17.25426725
  H     14.18245695     10.79664531    -18.64204535
  O     13.88081739      5.48638041    -14.04196521
  H     17.08606797      9.03288406    -16.95430836
  H     12.74104194      7.35460189    -11.50877039
  O     16.66371199     10.50533893     -9.14689438
  H     16.53488578      6.97160340     -9.28793386
  H     13.40572390      8.72558141    -11.30935836
  O     14.47558594     10.75458238    -17.73523070
  H     17.52634742      5.81306184     -9.01466745
  H     11.02525932     12.26141838    -13.87526362
  O     13.43384659      7.80439218    -11.00997447
  H     18.14586008     10.66198037    -15.73720289
  H     12.36544713     11.85465936    -14.52896644
  O     11.64025047     11.53814978    -13.96027669
  H     19.24383454     11.70139214    -15.40337561
  H     14.03123353      8.85760480    -15.59566000
  O     13.49617134      8.60127055    -16.36510668
  H     17.04359992      7.24601388    -15.73436806
  H     13.72643232      7.68772787    -16.57481597
          69
 Energy    -248.38179525177725     
  O     -1.96116392     -2.53729607     -4.00044865
  H     -2.06541730     -1.69149026     -3.54689404
  H     -3.46632162      0.96803978     -9.01567717
  O      1.50444362     -0.81767996     -5.25036185
  H     -2.64947057     -2.57796341     -4.67498128
  H      0.13630337      0.06018760     -8.06354826
  O     -2.30516093      0.03867396     -2.80018449
  H      1.25666006     -1.66458830     -4.85919596
  H     -0.81363053     -1.00300679     -7.45954852
  O      2.01617061      1.73328306     -4.52871832
  H      0.84462605     -0.62126314     -5.93410520
  H     -2.15018205      0.13362120    -10.84291203
  O      2.47084580      2.57785753     -7.22319675
  H     -1.69249149      0.71314424     -3.14403138
  H     -0.67889930      0.61063795    -10.78753060
  O     -1.99719066      3.32092539    -10.50099621
  H     -2.45618059      0.24558996     -1.88165081
  H     -0.67653013      3.43007083     -9.13198900
  O      0.58514925     -3.60447860     -7.29891121
  H      2.72547872      1.80608618     -3.89476049
  H     -0.65269092      2.90680405     -7.68373225
  O     -0.75992895      1.95326403     -3.95532545
  H      1.90737911      0.78497783     -4.72465225
  H     -1.32197363      1.12223899     -6.75639337
  O      0.58160258     -3.32677815     -4.42521448
  H      2.30486772      2.37948506     -6.29349346
  H     -2.52745630      1.97066759     -7.27558142
  O     -3.29529357     -0.76764403     -9.59223990
  H      1.66719258      2.98191131     -7.57130975
  H      1.71804970      0.66279852     -9.53693033
  O     -5.66989061     -1.63915038     -8.25824068
  H     -2.17819913      3.89715465    -11.23837064
  H      0.56419829      1.66592395     -9.26323240
  O     -3.61521115      1.86745461     -8.68515721
  H     -1.82771426      2.43330658    -10.86866944
  H     -5.30370025      0.76706533     -6.31393013
  O     -0.31433843     -0.20198376     -7.24997386
  H      0.60978438     -3.65613134     -6.33641075
  H     -5.18316299      1.37202694     -7.72050361
  O     -1.52693875      0.76150241    -11.22887376
  H      1.36960402     -3.09816475     -7.55403470
  H      3.19126085      1.34262245     -8.25053062
  O     -0.08282966      3.20766682     -8.40247823
  H     -1.14461247      2.13260559     -4.82224857
  H      4.28054398      0.90098070     -9.25748841
  O     -1.87447907      1.89939258     -6.56347566
  H      0.19634661      1.95522513     -4.08297286
  H     -2.38651422     -2.49847657     -7.30772358
  O      0.76413003      0.78754362     -9.61728347
  H      0.81254062     -4.01746744     -3.81024425
  H     -0.96826616     -2.96595040     -7.82687041
  O     -5.76926325      0.84958656     -7.15648372
  H     -0.34796881     -3.09289729     -4.25132597
  H     -3.19136184      0.96980563     -5.57833517
  O      3.44999337      0.63727356     -8.87048931
  H     -2.66129420     -1.35595880     -9.15531589
  H     -3.49529721      0.31292124     -4.22035829
  O     -1.73864276     -2.40873157     -8.01895651
  H     -4.16404422     -1.10056541     -9.33779785
  H      3.09144042     -1.10644552     -8.09470123
  O     -3.84429667      0.43229823     -5.11226473
  H     -6.52035344     -1.98146119     -8.51992466
  H      2.54233009     -1.50567826     -6.72358888
  O      2.78950494     -1.86586467     -7.58474497
  H     -5.82578377     -0.75716146     -7.87547282
  H     -4.49634146     -2.20410639     -6.82024858
  O     -3.80786135     -2.18018060     -6.14497586
  H     -3.22214662      2.47067996     -9.32641295
  H     -3.81898373     -1.27530688     -5.79978668
          69
 Energy    -248.38178316823991     
  O     17.38490059     11.01604023    -14.89211102
  H     17.75271302     10.91380559    -14.00242970
  H     16.88197759      6.94533197    -10.29835140
  O     15.57634863      6.60502064    -11.63680272
  H     16.58732071     11.54568447    -14.78867093
  H     14.28107527     12.58633950    -11.19097953
  O     11.95172081      8.52742788    -13.19734962
  H     15.66809211      6.14620587    -12.48054489
  H     15.82641830     12.51817601    -11.05231473
  O     12.60125716     12.03521728    -10.51182843
  H     15.67664005      7.55030000    -11.83537579
  H     16.48974914      9.71564064    -12.21636903
  O     19.40865949      8.04245118    -11.90429548
  H     12.28144548      8.05809848    -12.42018815
  H     15.17001226      9.47059594    -13.00668005
  O     12.44785745      6.73761214    -15.22965820
  H     11.99031417      7.90356078    -13.93789120
  H     17.56787335      9.55198649    -15.80480170
  O     15.73303281      5.57309356    -14.21618634
  H     12.00450575     11.70011830    -11.20322161
  H     18.23188195      8.86274045    -17.01957596
  O     14.10416019      9.80938803    -14.43518998
  H     12.06198861     12.52754678     -9.89791082
  H     12.27410544      5.56251557    -11.32545679
  O     16.43637102      9.70636767     -8.71016837
  H     19.00158530      7.60674981    -12.67510084
  H     11.74560866      4.19304748    -10.87627972
  O     13.23405820      4.22286168    -14.06903282
  H     20.31867191      7.75862373    -11.88015881
  H     17.50645202      6.32293120    -14.10236766
  O     13.91481178      9.59322591     -9.98745934
  H     12.62603569      5.85029315    -14.89555117
  H     18.12424729      7.52231048    -14.84748671
  O     17.56285315      7.40920990     -9.79382833
  H     13.26450189      7.02022738    -15.66058543
  H     10.22249686     11.20112520    -12.96722656
  O     15.11118486     12.80053252    -11.63418265
  H     14.96909440      4.98463805    -14.18820112
  H     11.22925020     10.07297980    -12.69690337
  O     15.62287582      9.29642308    -12.17228423
  H     15.48462009      6.30525515    -14.80054842
  H     13.13343811      7.96858932    -10.42758205
  O     17.67548476      8.69887167    -16.26301178
  H     13.28131294      9.55039658    -14.00011749
  H     13.87623761      6.84476651    -11.16818941
  O     12.04595422      4.67428229    -11.64331013
  H     14.19839280     10.76988992    -14.42902526
  H     17.75628580     12.47351917     -9.38516274
  O     18.25054774      6.93635776    -14.09068281
  H     15.50233681      9.61470448     -8.93461096
  H     17.00712453     11.12281380     -9.48418589
  O     10.97684040     10.97192998    -12.43030400
  H     16.86533439      8.88559162     -8.99525593
  H     15.93831505      7.96861203    -16.20204263
  O     12.98771457      7.16616526    -10.94514593
  H     12.95498993      3.37336176    -14.40165018
  H     14.71891290      8.47891928    -15.42066461
  O     17.30069279     11.89979155     -9.99496689
  H     12.81176197      4.33463404    -13.20033653
  H     14.71427444     13.29891117    -14.69557731
  O     15.06107533      7.70684296    -15.89811778
  H     14.52521454      9.55665158    -10.74182706
  H     15.03208818     12.60923493    -13.34855287
  O     14.93804015     12.45810540    -14.30633397
  H     13.43292454     10.42423153    -10.06279170
  H     18.01126038     11.01984691    -11.46312912
  O     18.15340788     10.51242231    -12.27252593
  H     18.26410055      7.59158027    -10.43036503
  H     18.67934418      9.72880470    -12.06302434
          69
 Energy    -248.38166701482876     
  O     15.17695171      4.38764124     -9.36893978
  H     15.27425578      5.19997588     -8.85915796
  H     16.99173370      4.50601101    -14.74357243
  O     12.95024469      4.22806864    -11.05774294
  H     14.37345385      4.45616537     -9.90414964
  H     14.55238246     10.57222900    -11.88987294
  O     17.45566448      3.65683394    -10.76821251
  H     12.80701249      3.27538307    -11.01002296
  H     14.42808807      9.75018023    -10.58210751
  O     18.79343332      7.19536712    -14.10453549
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  H     16.43375439      7.19160750     -8.40831488
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  H     17.69376635      8.69045285     -9.73682822
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  H     17.65552700      5.89227625    -14.92740079
  H     13.95513308      9.52541804    -13.91098234
          69
 Energy    -248.38164997623312     
  O      1.92124321      1.67195044      3.10255083
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  H     -1.68844211     -2.61924024      4.60739297
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  H     -1.31867646     -3.47891946     -2.64999353
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  H     -1.11167573      0.65423104      2.40906215
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  H     -2.05568572     -1.49201063     -3.36408997
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  H      0.82172658     -2.05882153      4.72872270
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  H     -2.74467893      1.90503313      2.91964320
  H      0.53481234     -0.86874389      1.50673931
  O     -2.20022358     -3.08772572     -2.66974266
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  H      2.04478885     -1.18279266      1.72684243
  O     -0.97381980     -0.26630527      2.15178841
  H     -4.68983514     -4.33717302      2.76331292
  H     -0.24098025      2.45905888      5.76490938
  O      0.11250225     -3.63670322      0.41936354
  H     -1.69149333      0.50105765     -2.22754966
  H     -0.82426134      2.06506520      4.38811501
  O      1.58709222     -2.59721898      4.48208989
  H     -0.54463589      0.74687808     -1.22249133
  H      4.10152433     -1.07594501      3.30729760
  O      1.31884251     -1.27258074      1.09911962
  H      1.52898076      1.34262214     -0.56214137
  H      2.67073008     -1.52015745      3.70149632
  O     -0.17803370      1.80816924      5.07077600
  H      1.35313405     -0.16715653     -0.30437174
  H     -3.18579278     -3.46521846      0.84448477
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  H      0.40633712     -5.58863149      2.97472376
  H     -1.73873466     -3.34600516      0.27012599
  O     -2.66921481     -3.17036716      0.07984084
  H      0.20478988     -4.36473616      2.05539484
  H     -1.36166584      2.44063198     -0.20810453
  O     -1.09391782      3.05154431      0.48927568
  H     -1.26266107     -3.90430002      3.87163501
  H     -0.12845338      3.05367055      0.48638472
          69
 Energy    -248.38162379504661     
  O     14.17059770      9.76586326    -10.70472896
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  H     16.33984516      4.67112562    -14.30723847
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  H     13.12826371      8.37696859    -10.11711369
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  H     13.20020605     13.65169676    -15.52161368
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  H     15.65695543     11.06441027    -13.34828739
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  H     14.24254125      4.61404871    -13.51818146
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  H     17.60657539      5.94069865    -10.16551855
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  H     18.57067961      6.94589722    -10.80536088
  O     14.41951345      6.00333773     -8.47642417
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  H     15.27812199      6.44574234    -14.90427353
  O     18.31248803      6.56487468     -9.95907939
  H     17.55882659     10.42791807    -10.57385131
  H     16.43726310      9.55649307     -8.74446890
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  H     17.00733304      4.84258336    -12.21878058
  H     16.50217853     11.06553328     -8.39703209
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  H     17.92679314      5.80851688    -12.98824980
  H     17.09392902      9.24421290    -16.00524458
  O     17.34647736      8.97354121    -15.11305121
  H     15.77301140      3.96626922    -15.56573602
  H     17.12119363      9.73082376    -14.54906855
          69
 Energy    -248.38150121041633     
  O     17.38933295      6.66640772    -14.14573740
  H     17.22062924      7.03048819    -15.02147348
  H     18.53948341     10.71965213    -15.20006784
  O     19.41195104     10.73895624    -11.68516869
  H     16.65269155      6.06804143    -13.97043772
  H     14.56217960      9.47741430    -19.28536250
  O     18.10190129     13.75874246    -14.26727908
  H     19.62264714     11.05865222    -12.57035002
  H     13.96345671      9.44705127    -17.85825352
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  H     19.14581713      9.81422328    -11.78184565
  H     16.43366340     11.02844136    -12.73463974
  O     15.86336061     10.07914366     -9.43751161
  H     17.54063960     14.04106066    -15.00116762
  H     16.99791432      9.55848523    -12.58743639
  O     14.51478135      6.72349928    -11.49063547
  H     17.49979888     13.51086019    -13.55219743
  H     14.16644284     11.46760661    -15.29124925
  O     13.59380189     13.10653938    -12.54778930
  H     14.78556564      4.25821379    -13.50326449
  H     13.55567709     10.57783796    -14.16101669
  O     12.67554276      9.29378007    -16.67882100
  H     14.79552113      5.64734551    -12.81697649
  H     17.69423309      7.91715008    -11.22888366
  O     16.60043284      7.53126323     -9.76972854
  H     15.03614109     10.36905300     -9.84796820
  H     17.96166667      7.66520797    -12.74952798
  O     16.44146939      8.10080788    -16.51538083
  H     16.50159870     10.79203057     -9.55015069
  H     16.74723535     12.71564481    -11.39436546
  O     14.07614733      7.33113035    -15.22139041
  H     14.20825232      7.55852025    -11.86116432
  H     15.44676140     13.00362667    -12.24436329
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  H     15.20498560      6.94695068    -10.85324921
  H     19.28219600     12.52174260    -14.33734346
  O     14.78906969      9.55896335    -18.36314295
  H     13.03408831     13.87520525    -12.62426272
  H     20.71249632     12.02049279    -14.66228242
  O     16.37310152     10.12240645    -13.06423027
  H     13.46593552     12.58724170    -13.35885703
  H     18.31335532     12.58408698     -9.34850523
  O     13.40518371     11.36509124    -14.70196778
  H     12.65623860     10.03411109    -16.06268429
  H     18.42807555     11.63007850    -10.56301434
  O     18.13268794      8.27133033    -12.01278269
  H     12.97321048      8.52448017    -16.17220724
  H     15.29098654     11.01553226    -17.27373909
  O     16.38743818     12.79426991    -12.28774636
  H     16.32357691      8.45022073     -9.59247828
  H     16.35564989     11.24040319    -16.17560818
  O     19.85864990     11.73422902    -14.35012443
  H     16.83392302      7.14595502     -8.92990006
  H     13.48105202     10.14071969    -11.53055815
  O     17.79715111     12.10530476     -9.99107484
  H     16.98950211      8.82773443    -16.18280035
  H     13.46932546     11.65009058    -11.27073814
  O     15.53907024     11.60283453    -16.54979394
  H     15.97884809      8.46036319    -17.28174897
  H     16.14098708     14.75833753    -17.14756196
  O     13.55964864     10.79838983    -10.82852470
  H     14.90778093      7.59357981    -15.64334342
  H     15.95900143     13.38163165    -16.49053125
  O     16.29241525     14.27900347    -16.33677698
  H     14.25080493      6.48844107    -14.78446239
  H     13.87784701      8.43269361    -13.80179492
  O     13.90263932      9.07462617    -13.07898803
  H     17.21811250     10.19557445    -14.59715890
  H     14.81301145      9.41696997    -13.03823071
          69
 Energy    -248.38131921515418     
  O     19.98812031     10.08307848    -10.10222050
  H     20.84033561     10.16766531    -10.54519771
  H     21.79433868      9.87792896    -12.47045360
  O     17.92208360      5.86263510     -9.12472173
  H     19.59386123      9.26413277    -10.44579251
  H     16.70235610      7.98899942    -13.81465343
  O     19.69982916      7.19786977    -13.66401961
  H     18.61337681      5.25830849     -8.82909318
  H     18.10976746      7.87504314    -14.41478561
  O     22.05133400      7.15738321    -10.82383063
  H     17.46385898      5.44135425     -9.86464272
  H     18.63680707      4.17585675    -11.51627889
  O     16.79494891      4.78586875    -11.38217676
  H     19.37932317      7.34495943    -12.76064586
  H     19.77830251      3.99069238    -10.48427685
  O     21.28520553      6.65927087     -8.18531498
  H     20.34126221      6.48284737    -13.59635594
  H     13.57157681      5.77405078    -11.10385390
  O     14.53472110      6.78765401     -8.16420257
  H     22.28004680      8.03006662    -11.17014508
  H     13.16111144      7.25774096    -11.10752569
  O     21.55189016      5.22276754    -12.82866891
  H     22.05080332      6.52294415    -11.55262509
  H     16.51350853      9.96039148    -10.64897100
  O     19.27780844      7.56896349    -10.93396178
  H     15.97970113      4.53418981    -10.92725261
  H     16.39967402      8.90734774     -9.49457829
  O     19.77406162      9.08296871     -7.54432401
  H     16.59368635      5.61509403    -11.84150341
  H     14.97874349      6.99191112    -12.28693649
  O     17.63546272     11.17802323    -11.25883660
  H     21.70020321      6.86982937     -9.03396791
  H     16.04178085      7.92597617    -11.65792446
  O     22.34895679      9.83893715    -11.66842910
  H     20.78728696      7.43936246     -7.91663648
  H     20.42942232      8.88519336    -13.86035979
  O     17.29141648      8.38526794    -14.47156983
  H     15.33716509      7.24748523     -7.89143601
  H     19.89210133     10.32570330    -13.88709132
  O     19.58366100      4.00922378    -11.42936722
  H     14.00382028      7.44725075     -8.62982606
  H     17.34736410      7.27665813     -8.32315025
  O     13.33027681      6.50367863    -11.68764609
  H     20.84626669      4.74170923    -12.35755488
  H     17.89793706      8.54803765     -7.66295038
  O     15.99608635      9.21219563    -10.31775307
  H     22.05492348      4.57140313    -13.30950828
  H     14.25555058      8.99693434    -10.07927936
  O     15.91031944      7.25089698    -12.33718503
  H     20.21727361      7.35465250    -10.83418761
  H     12.83130982      9.52255664     -9.78555312
  O     20.69945198      9.81006945    -13.77447483
  H     18.79766844      6.99774346    -10.32427883
  H     17.76650083     11.50460665    -14.73307065
  O     17.07963201      8.13875891     -7.96201794
  H     19.87352224      9.53339302     -8.39967534
  H     17.74529443     10.04208836    -14.23175779
  O     13.34347432      8.72361285     -9.87636863
  H     20.08442838      9.69224217     -6.87820335
  H     20.60782846      5.07635511     -8.39969806
  O     18.09967374     10.93141494    -14.04789063
  H     17.78566950     11.15807088    -12.21275369
  H     20.38058385      3.61300845     -7.94648657
  O     20.12645630      4.25399120     -8.60451643
  H     18.48911338     10.99715928    -10.84669889
  H     13.97901854      3.90051856     -9.37145055
  O     14.45641345      4.59855929     -9.81243560
  H     23.10945711     10.38977118    -11.83063652
  H     14.52757261      5.33086894     -9.17484836
          69
 Energy    -248.38110771815903     
  O     15.52748489      9.26685545    -16.60529557
  H     14.85205651      8.94641269    -15.99857095
  H     17.30293514      7.04638869    -18.47520733
  O     13.28665122      3.40637659    -15.27687919
  H     16.33859325      9.38463445    -16.09571380
  H     15.48837226      5.74996306    -16.00746255
  O     18.38020539      5.79682042    -12.14531596
  H     14.09731942      3.09542165    -15.72427103
  H     16.69978574      4.91224541    -15.46367373
  O     16.25086325      4.08356821    -18.75944924
  H     12.60793606      2.76176369    -15.45641754
  H     13.63233747      7.90970578    -14.04440643
  O     14.63671890      7.03416708     -9.80645455
  H     17.88507931      6.49086623    -12.60652270
  H     12.59359327      8.77760911    -14.79226104
  O     14.19330442      4.39188089    -12.82364557
  H     17.83063522      4.99900161    -12.17480846
  H     15.44116056      3.49615861     -9.60049761
  O     16.86325505      7.54551634    -13.63012800
  H     15.51276168      4.63475175    -19.05779717
  H     16.35702849      2.50721926     -8.83700389
  O     17.73550260      3.43797966    -14.86454644
  H     16.97939164      4.69979737    -18.63191350
  H     13.38829585      5.09081528    -16.06032913
  O     13.91228316      4.25390095    -10.02801675
  H     15.55368446      6.72047894     -9.70638637
  H     13.44580134      6.65833799    -15.95313341
  O     19.55737612      7.46377727    -16.07535005
  H     14.47282855      7.63742634     -9.08643988
  H     20.85485678      4.90329416    -14.10602519
  O     15.56351742      2.69131890    -16.48696221
  H     14.19665326      5.35717734    -12.86603927
  H     19.53151579      5.42440294    -13.50244254
  O     17.83165779      6.41256696    -17.97345528
  H     13.82440164      4.04871555    -13.64687444
  H     16.73208794      3.24581807    -11.33839151
  O     16.38191339      5.80555325    -15.64481117
  H     17.27230340      8.33189270    -14.00922937
  H     15.86315450      3.80491435    -12.49205551
  O     13.35563924      8.21802553    -14.92281027
  H     16.71089228      6.93097484    -14.36842649
  H     17.70349548      6.02515010    -10.36425109
  O     16.36384250      3.20367418     -9.48759086
  H     17.44986535      3.31279653    -13.94816024
  H     16.99479976      5.02504856     -9.43099303
  O     13.71185378      5.89679626    -16.48262776
  H     18.57109426      3.91764005    -14.82899286
  H     14.79778372      6.79491137    -19.31394356
  O     19.97059975      5.18216772    -14.33405053
  H     13.99530473      5.19800152     -9.84625143
  H     13.96068037      5.96846717    -18.32878130
  O     16.76109247      3.52208956    -12.26185682
  H     13.84679673      4.18415624    -10.99071191
  H     15.28188228      7.37475494    -12.89062208
  O     17.12857105      5.96795364     -9.59108905
  H     19.10383317      7.10766438    -16.85354694
  H     14.38214104      7.22708764    -11.62744065
  O     14.26595081      5.99265210    -19.24612398
  H     19.75431435      6.70693993    -15.51256886
  H     18.62035176      8.81398300    -15.53227510
  O     14.37494704      7.19913778    -12.59201679
  H     15.77464062      3.10223346    -17.33993954
  H     18.54065785     10.30486161    -15.12177991
  O     18.02469326      9.50667002    -15.19067183
  H     16.38058569      2.70483811    -15.97545885
  H     15.79762576      8.66328477    -18.22968371
  O     16.01520956      8.27454368    -19.09504059
  H     17.32028814      6.21893384    -17.17305102
  H     16.07649052      8.99769341    -19.71341713
          69
 Energy    -248.38084369926298     
  O     14.06651540     12.24805222    -14.83895072
  H     13.64803861     11.53115764    -15.33712505
  H     19.07973965      5.57207197    -15.18651103
  O     14.19329454      6.43781779    -13.40053263
  H     15.00059127     12.21949222    -15.07424509
  H     16.61664919     10.51336909    -16.89218611
  O     18.21375304      8.21843208    -12.29534763
  H     13.56987524      6.10223729    -14.05220562
  H     16.73631771      9.00746043    -17.24229816
  O     10.94072239      8.42424893    -15.01165005
  H     14.55135433      7.25638871    -13.78450833
  H     15.66621732      9.32160142    -14.03400303
  O     16.13539052      9.38071727     -8.88611224
  H     17.74976406      7.38593380    -12.45067559
  H     14.46094574      9.20305879    -15.03208608
  O     13.46992279      7.97292708    -11.21081585
  H     18.42640407      8.23117256    -11.35379849
  H     13.33642824     12.17031939    -13.27255384
  O     16.82139093     10.37774979    -13.10991391
  H     11.15710598      8.78587021    -14.13133498
  H     12.52066244     12.87203501    -12.16022309
  O     14.28059945      6.54431672    -17.62806309
  H     10.02481862      8.63262883    -15.17584174
  H     17.52566244      6.53219555     -9.67098238
  O     14.57896901      6.95713064     -8.85935537
  H     15.73657091      9.89132218     -9.60289428
  H     16.86094705      5.70622914    -10.79382549
  O     16.63853756      7.29909257    -16.39947018
  H     15.54698741      8.62940732     -8.73990404
  H     11.97133747     10.38149319    -12.57591385
  O     12.32547331      6.05312163    -15.52420605
  H     13.74921889      7.58322606    -10.37296509
  H     12.15913738      8.93315301    -12.07120204
  O     18.15201231      5.42714319    -15.01517719
  H     13.70432443      7.34955821    -11.91263262
  H     15.88709797      5.86714323    -12.88941122
  O     16.47059156      9.86807211    -17.59380719
  H     17.41083439      9.64866693    -12.85799992
  H     17.30073148      5.50987286    -13.42664152
  O     15.12338345      8.70413742    -14.53894590
  H     16.19238140     10.49909542    -12.38622635
  H     17.70545610      8.67544773     -9.23307141
  O     12.90851513     12.03703885    -12.40763407
  H     13.61315687      6.37729463    -16.95258183
  H     19.18377827      8.42266386     -8.85447071
  O     16.84445512      5.86974890     -9.84016929
  H     14.07456239      7.40480330    -18.01386525
  H     13.91533622      9.54262537    -19.46543836
  O     11.62069788      9.48652566    -12.65355771
  H     14.25782141      6.44538096     -8.12237039
  H     14.92029141      9.52378316    -18.28785320
  O     16.81028800      5.75621649    -12.62930466
  H     15.36714881      6.49565441     -9.20105537
  H     14.40977562      9.55262313    -11.22478366
  O     18.50438938      8.17371543     -9.47472463
  H     15.92028159      6.88994818    -16.90498816
  H     14.19622804     11.06398143    -11.48427723
  O     14.01988680      9.26480639    -18.55980156
  H     16.19962309      7.78638428    -15.68723983
  H     16.92238925     11.30885776    -14.59233834
  O     14.84150780     10.41810620    -11.17189871
  H     11.70545474      5.33888453    -15.65635720
  H     17.54347861     12.40479069    -15.48678293
  O     16.83235547     11.76989369    -15.44480639
  H     11.80127880      6.84964958    -15.34651646
  H     13.30469962      9.73331604    -16.95888644
  O     13.09048701      9.95419859    -16.04244003
  H     17.67796492      6.06767592    -15.56927448
  H     12.30259807      9.46075264    -15.78850896
          69
 Energy    -248.38078252195709     
  O     10.83138370      5.52514884    -10.13077762
  H     11.27970287      4.71839432    -10.42021931
  H     15.94489401      6.05490289    -13.60744938
  O     16.82023271      5.41764520    -12.18701606
  H     11.53486052      6.15309667     -9.92922956
  H     12.34457878      6.02341236    -13.20906596
  O     14.46545694      4.47313249    -16.01911751
  H     16.85360208      4.45252582    -12.19427361
  H     13.89679818      5.98245895    -13.21404719
  O     14.92331897      3.43453500     -9.93806257
  H     16.33579533      5.67390579    -11.39013775
  H     10.20363532      8.30972083    -11.82757884
  O     16.65559658     10.21173293    -10.37708538
  H     14.83602143      4.59069827    -16.89029551
  H     11.55480154      8.48987609    -11.14282930
  O     14.96347173      9.04769157    -13.55121976
  H     14.79192750      5.20962375    -15.47538851
  H     18.44821810      7.63605059    -10.87881056
  O     11.71890631      3.96330085    -15.37027501
  H     14.03145592      3.36827566    -10.30656198
  H     18.12833133      6.72430498    -12.06721429
  O     17.57118027      7.79802328     -9.16951496
  H     15.50848507      3.04267772    -10.59724446
  H     13.08260467      6.88167080    -11.20835902
  O     14.76731338      2.38829889    -14.08293973
  H     17.00443379      9.45619107     -9.88658118
  H     13.44927779      8.23520355    -10.50625092
  O     11.98923419      1.96062056    -13.57845212
  H     17.07169756     10.18606602    -11.24812712
  H     15.94682802      2.50850290    -12.83823487
  O     12.46208648      3.54537388    -11.29904063
  H     15.87986710      9.35305603    -13.51659251
  H     17.21299343      1.90662521    -12.18167094
  O     15.33010293      6.39290301    -14.27552599
  H     14.58542133      9.28388932    -12.69422696
  H     15.32643125      5.12913560     -9.67869197
  O     13.12102096      5.86021816    -12.65631024
  H     12.60254328      4.17082461    -15.69739913
  H     14.65808646      6.52299305     -9.84861224
  O     10.92947904      8.93824582    -11.72118973
  H     11.33446866      4.80309875    -15.08292983
  H     18.33700415     10.20973965    -13.51571457
  O     18.60816738      7.52788114    -11.82454868
  H     16.84456777      7.16623278     -9.30415923
  H     18.05069440      8.94159298    -12.67559436
  O     13.05507609      7.36236079    -10.36339191
  H     17.92603628      7.62522585     -8.30108886
  H      8.29930982      6.52137200    -11.82394021
  O     16.60257324      2.63674129    -12.12884998
  H     13.85648869      2.14130024    -13.88224169
  H      9.72843553      6.21017115    -11.31952441
  O     15.50932666      6.07895827     -9.76012047
  H     14.71806325      3.03492996    -14.79699616
  H     14.96053364     10.05835724    -10.67928372
  O     17.65125659      9.75456575    -13.03442299
  H     11.44810465      1.21378956    -13.81881192
  H     13.53054072     10.63627626    -10.90881078
  O      9.22200344      6.66443074    -12.01619942
  H     11.80744014      2.66188777    -14.23112689
  H     13.05687977      8.99542883    -14.20611351
  O     14.05965733      9.84498382    -10.97772174
  H     12.76208251      4.32385783    -11.79441477
  H     11.73054490      9.03843213    -13.40817483
  O     12.10847986      8.85320643    -14.28111521
  H     12.22064786      2.89192278    -11.96585702
  H     11.27673995      7.26942284    -14.42770964
  O     10.91138911      6.38513199    -14.26691523
  H     15.20733183      7.33774466    -14.11018822
  H     10.22681409      6.46713072    -13.59104442
          69
 Energy    -248.38059591491822     
  O     12.32512367      9.97952036    -11.19495523
  H     12.45100653      9.54523883    -12.04747843
  H      9.88402508     12.57205963     -9.18854881
  O     10.70786175     12.06063678    -12.13534555
  H     11.74383250     10.73002539    -11.36864368
  H     12.29065341      7.56768915     -6.49590618
  O     14.53893051     10.71537516     -9.79420046
  H     10.51070765     12.47332616    -11.28306025
  H     12.06962525      8.90012325     -7.24979842
  O     14.70606966      6.47669082    -11.05468201
  H     11.49826752     12.50050739    -12.47966647
  H     11.99573418     11.24402528     -7.49285157
  O      8.85154408      9.30165932    -10.49472104
  H     13.76661593     10.45948876    -10.32228024
  H     10.55594535     10.69188038     -7.59071549
  O     13.07588417     13.30851149    -12.80804046
  H     14.83133710      9.90363114     -9.35776140
  H     14.84049890      7.59036693     -9.50543496
  O     16.19623767     14.71778942    -10.57889407
  H     13.79342780      6.39122564    -11.38180034
  H     14.08315092      8.06789685     -8.24424648
  O     11.14106890      7.86644604     -9.84991017
  H     15.08578640      5.60147691    -11.07308803
  H     15.27641507     11.74641250    -11.03971453
  O     12.18101165     15.11134692    -10.90454417
  H      8.96362577      9.42667785    -11.44264025
  H     15.83984466     11.78167289    -12.49268174
  O     14.95046640      8.31337094    -13.20409698
  H      9.53601209      8.67067191    -10.22861683
  H     12.55199769      9.65747818    -14.18867972
  O     14.16243772     15.08442011     -8.81053607
  H     12.79729132     14.05079415    -12.25099722
  H     11.19775045      9.08764314    -13.69857225
  O     10.53744159     13.13900189     -9.61684356
  H     13.91000925     12.99110729    -12.43740955
  H      9.88020714     10.72968810    -12.93507906
  O     12.39173187      7.98516925     -7.34696709
  H     16.71129821     15.24734586    -11.18224283
  H      8.86217567     10.11194782    -13.92311382
  O     11.42966730     10.50804162     -7.22651256
  H     16.03746351     13.87309816    -11.03114313
  H      8.07752742     11.15151208     -8.05300588
  O     14.88326879      8.20891222     -8.76558219
  H     11.57889760      8.64309453    -10.23312836
  H      8.84696841     10.49534814     -9.22244200
  O     15.52658224     12.33575479    -11.76748829
  H     11.50755257      7.76161305     -8.96405242
  H     14.35828212     11.02673496    -14.55031086
  O     12.13741961      8.87759788    -13.78129397
  H     12.84168665     15.23529471    -10.21233707
  H     13.21135621     11.97113834    -14.16650829
  O      9.52498333      9.88831322    -13.27386376
  H     11.45821908     14.63095332    -10.48172639
  H     16.89243390     10.45686111    -14.45966069
  O      8.92105716     11.14099286     -8.49766781
  H     14.99169764      7.71600357    -12.44771187
  H     15.79428520      9.76301798    -13.61831946
  O     13.40449483     11.14793525    -14.63277398
  H     14.03511380      8.30633019    -13.50384361
  H     12.03141109      7.12509301    -12.75230566
  O     16.13895245     10.62954448    -13.90184001
  H     14.38532450     15.76743183     -8.18335235
  H     11.68735566      6.84791533    -11.27143498
  O     12.16406308      6.49441592    -12.03765790
  H     14.93042312     14.98162960     -9.39899722
  H     13.59431836     11.92535282     -8.83769675
  O     12.99065523     12.54639893     -8.40492303
  H     11.39017147     12.92989605     -9.20648871
  H     13.41750135     13.41129707     -8.42564047
          69
 Energy    -248.38040402053446     
  O     21.06688681     12.21709513    -18.76250278
  H     21.08388397     13.18051910    -18.61829769
  H     14.85881412      9.54561423    -12.47351557
  O     15.60059677     17.33861459    -14.21730999
  H     21.71404239     12.02761425    -19.43631198
  H     20.81804589     17.16946637    -15.91430141
  O     22.01515856     15.65609405    -15.71135818
  H     15.06611846     18.11818675    -14.08854530
  H     19.51537137     17.63562180    -15.25669418
  O     16.03762262     12.78184193    -13.41532125
  H     15.64297579     17.18927020    -15.17844618
  H     18.76742281     13.72821787    -12.17910463
  O     17.45230095     10.97174929    -16.77002431
  H     22.89302710     15.68231944    -15.33909830
  H     17.82548856     12.83741010    -13.00658479
  O     17.19215327      9.00524351    -14.68970802
  H     21.55195361     14.91593238    -15.28358136
  H     19.21450931     11.12991291    -13.24319124
  O     21.03251350     14.87328435    -18.25752360
  H     15.91706512     12.93533869    -14.36277071
  H     19.83295483     10.55636028    -14.53770927
  O     18.57626255     16.38925493    -17.89604839
  H     15.67452131     11.90758555    -13.21989199
  H     15.48822498     14.64744251    -18.74337630
  O     15.81173487     15.28424196    -12.20933047
  H     17.23231473     10.25902715    -16.16061189
  H     13.94030365     14.56676821    -18.71298829
  O     20.56968454     13.53803043    -14.73724067
  H     16.88323592     11.72302754    -16.54695028
  H     17.42763466     17.18462819    -13.95955452
  O     18.22648716     12.21039656    -19.22549105
  H     17.42659569      8.09936716    -14.87445308
  H     18.50329165     16.49574732    -13.07628646
  O     15.20712388     10.17696979    -13.09821936
  H     17.97305793      9.41996686    -14.27929204
  H     15.35660224     16.22925609    -17.31373047
  O     20.07203759     17.76967259    -16.03561717
  H     21.47793417     15.17561043    -17.45607381
  H     16.71897258     16.94709327    -17.31243291
  O     18.74811471     12.93430160    -12.72675110
  H     20.23564278     15.40908167    -18.33050777
  H     17.44174368     15.41215151    -11.64453591
  O     19.36230070     10.30985587    -13.73049561
  H     18.41780494     15.69803701    -17.23256716
  H     18.51737983     15.76580271    -10.58625769
  O     14.70678823     14.68042801    -18.15882843
  H     19.09520127     17.05863780    -17.42532151
  H     20.59727613     11.50162583    -17.12134268
  O     18.35595200     16.91468635    -13.93302547
  H     15.75681424     14.40215340    -12.60491583
  H     19.23328796     11.20905632    -16.45209664
  O     15.85730442     16.93417324    -16.88319076
  H     15.59461747     15.91746349    -12.90355707
  H     18.21968764     15.49707755    -15.09453646
  O     18.40303070     15.46487420    -11.48357520
  H     20.54629677     12.74737249    -15.29599057
  H     19.05328961     14.26357096    -15.49537637
  O     20.18132730     11.30026543    -16.27349291
  H     20.01890904     13.35324665    -13.96372850
  H     17.60302898     15.31733959    -19.19618505
  O     18.24858475     14.75011736    -15.70792940
  H     17.89575059     11.67581642    -18.49340591
  H     17.44072586     13.80115523    -19.50125496
  O     16.99350654     14.66023311    -19.54947144
  H     19.18781594     12.16440413    -19.17188665
  H     16.78917684     13.81933769    -16.01609154
  O     16.01276848     13.24712329    -16.12812024
  H     15.83650171      9.69083531    -13.65202178
  H     15.44847652     13.66373163    -16.78894046
          69
 Energy    -248.38036550130164     
  O     13.12558878      6.57876982    -15.75318085
  H     13.10718580      7.45620501    -16.15092107
  H     19.64230047      8.73300065    -13.16922314
  O     16.68878074     11.27697146    -13.87351795
  H     13.93628182      6.15838205    -16.07373117
  H     16.49849261      9.50101005    -17.55830020
  O     17.62927042     10.05897728    -16.22376652
  H     15.86978734     10.77306671    -13.99326715
  H     15.01987149      9.08189853    -17.72480664
  O     16.95448864      3.98944013    -14.56545837
  H     16.53967855     11.84999890    -13.11092177
  H     16.20397176      7.12345195    -15.49515037
  O     14.38278781     10.77832466    -10.28928203
  H     17.42765283     10.64493096    -15.48238279
  H     16.98958129      8.48092004    -15.46076787
  O     16.32926805      7.72945390    -11.18710718
  H     18.58538752      9.92152386    -16.25331188
  H     12.93547455      6.30001196    -14.05204369
  O     14.57024211      9.52333854    -14.20914579
  H     17.32790025      3.11663057    -14.47699600
  H     12.13669254      5.55825917    -12.95642635
  O     19.49346164      6.68417015    -17.07643708
  H     17.69337592      4.62074628    -14.50014083
  H     17.52575839     10.47054643     -9.49002592
  O     16.24791969      9.17090780     -8.85445425
  H     14.93409325     10.30689116     -9.65103220
  H     17.47466932     11.67868624    -10.44532379
  O     20.31545115      9.32497736    -16.24038424
  H     13.93968909     10.08739767    -10.79795729
  H     15.98555575      4.85557247    -13.11638639
  O     18.72499527      6.03795246    -14.53268184
  H     17.00305963      8.21720335    -11.67913397
  H     14.67173029      5.54621693    -12.68242638
  O     20.27808608      8.28797601    -13.74792855
  H     16.20036337      6.86379988    -11.60165049
  H     18.34007484      9.98783512    -11.49672936
  O     15.89574629      8.98968758    -18.11693068
  H     15.24044456      8.84376266    -14.38821425
  H     17.73690678     10.04052567    -12.92004035
  O     16.57413144      7.80030733    -14.91251601
  H     14.15184552      9.27728180    -13.37499108
  H     15.40174878     11.97537949    -11.06212645
  O     12.88927066      6.12740859    -13.09490436
  H     19.80073839      7.59285072    -16.97171762
  H     15.78950085     13.46324705    -11.22674930
  O     18.07569963     11.03683488    -10.04653466
  H     18.73607418      6.70742626    -17.67400971
  H     17.06251508      6.42751502    -19.56557469
  O     15.59103491      5.39949462    -12.42700440
  H     16.29961374      8.56435009     -9.61359517
  H     16.64848734      7.48864754    -18.51689692
  O     18.22375970      9.47368017    -12.30923121
  H     16.27539989      8.63033493     -8.06951642
  H     14.61238651      8.24330411    -11.56194469
  O     16.06312960     12.57704266    -11.44879864
  H     21.14538976      9.75189835    -16.43376715
  H     13.29172910      7.70451617    -12.16167429
  O     17.08999352      6.62739510    -18.63368215
  H     20.37701016      8.98956382    -15.32682171
  H     13.77532021      9.46620951    -15.79347090
  O     13.70824801      8.49847829    -11.80385461
  H     18.01546294      6.69290677    -14.45576568
  H     12.75557159      9.93359750    -16.85797411
  O     13.42623529      9.27825757    -16.68171400
  H     19.07591634      6.14102370    -15.43247223
  H     16.07820681      4.94580572    -15.92567099
  O     15.63595501      5.62466713    -16.45132426
  H     19.94052775      7.39135284    -13.86033999
  H     16.15911460      5.79723737    -17.24458326
          69
 Energy    -248.38025989643603     
  O     -1.61526018      4.67018716      2.34981444
  H     -2.15770617      4.24046698      1.67444070
  H      0.01618783      7.95708049     -1.01832261
  O     -1.97394541      5.40257803     -1.75987078
  H     -1.38247587      4.01338015      3.01818270
  H      0.77903875      1.36005020      1.72002646
  O      4.64445309      5.60290786      0.82760159
  H     -2.06095468      6.28047117     -1.36406778
  H     -0.60878949      1.06119259      1.14286080
  O      2.21742086      6.97258800      1.11462601
  H     -1.02693882      5.28858268     -1.90745979
  H      0.63851712      3.46232594     -2.42947069
  O      0.89105687      5.14651470     -1.84834972
  H      4.35323057      5.16011913      0.01098054
  H     -0.44896148      2.60451573     -3.09756880
  O      2.22648305      2.23894130      1.02573909
  H      5.54031128      5.89287956      0.67665205
  H     -4.23794979      1.34196940     -1.69073795
  O      0.75779916      4.60049082      0.80435355
  H      3.11584604      6.61803172      1.10878378
  H     -4.00178120      0.16627258     -2.66853363
  O     -1.82478726      7.89335482     -0.43821387
  H      1.98659768      7.21827803      2.02021870
  H      0.81847132      4.08363419      4.25902855
  O     -1.29074161      1.35790327     -0.61236999
  H      0.80555683      4.88028847     -0.91687080
  H      2.26911823      4.43602254      3.84271094
  O     -1.24152317      7.39013280      2.15441086
  H      0.95579921      6.11399933     -1.84445933
  H     -2.73462075      2.37929516     -3.18743555
  O     -2.81930809      3.56974191      0.13341812
  H      1.73226628      3.06916104      0.93268758
  H     -2.32683634      3.86896478     -3.08327485
  O      0.93341718      7.78302171     -1.26231133
  H      2.50047539      1.97274466      0.14145641
  H     -0.86012153      2.24011140      4.83846851
  O     -0.12065544      1.10749452      1.97319571
  H      1.25882500      5.40436600      1.00218105
  H     -0.43791452      2.10139824      3.35719963
  O      0.37984092      2.54485130     -2.60034825
  H     -0.03887685      4.61917161      1.34703306
  H      1.96753104      1.87382724     -2.10848964
  O     -3.57003531      0.90432002     -2.24640909
  H     -1.62347819      7.74450933      0.50347082
  H      3.18634510      0.92404478     -2.14936193
  O      1.46966627      4.79171213      4.25977854
  H     -2.37032706      8.67444268     -0.47988900
  H      1.43379836      7.91631037      4.43655322
  O     -2.14423786      3.04842178     -3.55509538
  H     -0.64234251      1.73031080     -1.22443970
  H      1.26735194      6.46217116      3.93435338
  O     -0.59520967      2.74300820      4.07321373
  H     -2.01703399      1.02077100     -1.15288978
  H      3.27956100      3.12424451      2.29995178
  O      2.83208635      1.68983519     -1.70450412
  H     -1.47516202      6.46155168      2.30158512
  H      4.09451328      4.42264556      2.25584928
  O      1.20296835      7.39923250      3.67017008
  H     -0.45217786      7.53967599      2.68565668
  H     -4.43743529      2.85356099     -0.21851688
  O      3.65543788      3.81520768      2.86205723
  H     -2.58108265      4.24889337     -0.51412077
  H     -5.96202932      2.64505740     -0.13735959
  O     -5.17439680      2.32674119     -0.56942797
  H     -2.25056617      2.80653094     -0.04136158
  H      3.56354511      3.46833618     -1.55365651
  O      3.66546291      4.41957833     -1.43146520
  H      1.41001990      7.64732785     -0.43035047
  H      2.82505340      4.80122712     -1.70939735
          69
 Energy    -248.38020758247427     
  O     14.35781812      9.61934019    -10.52290706
  H     14.48020196     10.28692637    -11.21160743
  H     12.79361964      8.68484522    -10.39707255
  O     14.43930605     10.91094523    -16.64130512
  H     15.08070638      9.68378023     -9.88705742
  H     18.78087780      7.86323635    -13.20794888
  O     17.47165284     11.06910072    -12.81918920
  H     13.84881400     10.89887202    -17.39081125
  H     20.04639289      7.23036829    -12.59706156
  O     12.53512304      5.28107461    -13.84910402
  H     14.05863378     10.31222033    -15.97810914
  H     14.77885802     12.43198514    -15.50164788
  O     15.92638474      6.68131003     -8.63299992
  H     16.50758963     11.05754532    -12.74769327
  H     15.99130649     13.12872954    -14.86834605
  O     17.89222068     12.79131199    -14.90416063
  H     17.84474572     10.69781014    -12.00635521
  H     14.30844442      8.55460409    -14.69075586
  O     15.10113954      7.28812519    -11.90926603
  H     13.28580679      5.04765892    -14.40673582
  H     12.85481968      8.79359026    -14.19722594
  O     14.68725486     11.11489320    -12.82718777
  H     12.78385104      4.99894489    -12.95669668
  H     17.58563884     11.35768343    -16.16217430
  O     18.46347941      9.69332178    -10.70862130
  H     15.00817140      6.39375699     -8.70093394
  H     16.35751621     10.61009421    -16.70021461
  O     15.05931422      4.78522668    -15.14193983
  H     16.42626999      6.23492034     -9.32970406
  H     11.89524418      6.87018543    -13.55075800
  O     16.03801355      3.95134779    -12.53212460
  H     18.61996066     13.39250245    -14.76928953
  H     10.65446472      7.79142065    -13.52264530
  O     12.10994365      8.00080593    -10.44720770
  H     17.84151235     12.23060635    -14.11027881
  H     12.53503614      5.86386553     -8.11693614
  O     19.12847152      7.42200493    -12.41647277
  H     14.84486181      8.06624690    -11.40101040
  H     12.70183316      6.73514713     -9.38429517
  O     15.03561776     13.02295259    -14.78209585
  H     15.88140544      6.89134557    -11.49636120
  H     13.40827569      5.05590306    -10.44587145
  O     13.60871926      9.22076449    -14.62246724
  H     14.72245457     11.91356600    -13.37378303
  H     14.09852731      5.77082870    -11.61197910
  O     17.31174623     10.53165255    -16.58205160
  H     14.29240314     10.43151391    -13.38518402
  H     16.97216167      5.10727681    -11.51465237
  O     11.58731654      7.76573813    -13.32245558
  H     17.84551076      9.49951162     -9.99257772
  H     17.98490060      6.29509871    -11.45072123
  O     13.11628699      6.03046060     -8.85400214
  H     18.72503564      8.85317153    -11.10089002
  H     15.44628512      7.31720660    -13.59679176
  O     13.68446849      4.92992207    -11.35986228
  H     15.31471752      4.52830928    -16.02428264
  H     16.49602754      7.86567909    -14.60468258
  O     17.27280825      5.85387058    -10.97241620
  H     15.32215707      5.71522413    -15.03358929
  H     16.60943372      9.65901603     -7.82958660
  O     15.66345383      7.38158177    -14.54231403
  H     15.81727297      4.10815580    -13.45710174
  H     16.30031667      8.36084632     -8.61586985
  O     16.48862288      9.31247518     -8.70967615
  H     15.20163612      4.05332401    -12.05590503
  H     17.81194458      9.61282526    -13.84756456
  O     17.98325069      8.90112189    -14.48195922
  H     11.90262077      7.90505442    -11.38308921
  H     17.87083843      9.31903987    -15.34818010
          69
 Energy    -248.38017289844839     
  O     14.62707647     11.56115162     -8.52911218
  H     14.63685770     11.47811640     -7.57859933
  H     11.16067433     13.61164108    -12.12915910
  O     10.67196301     11.23668049    -14.24052146
  H     13.69385955     11.62542150     -8.79347214
  H     15.18274869     12.80133744    -15.74684295
  O     14.91341637      9.38728192    -10.38001329
  H     10.55013055     12.00305203    -13.65380407
  H     16.71070878     12.79724486    -15.64725711
  O     17.76752256     13.80064393    -14.41883395
  H     10.88566674     11.58854625    -15.11270597
  H     13.38319240     14.47944402    -11.09238397
  O     12.09858984     11.64589550     -9.57825581
  H     13.98407007      9.20551854    -10.56455987
  H     13.32322081     13.12049872    -11.81868226
  O     12.18072128      9.32547117    -11.18981459
  H     14.92001706     10.08782345     -9.71658759
  H     15.20834767     12.10226847    -12.77520095
  O     12.99814159      9.82642423    -13.75135849
  H     17.58083243     13.20996014    -13.66688723
  H     13.95767765     11.25079769    -13.20697187
  O     14.87148158     15.62093727    -11.05441628
  H     18.69962254     13.99905809    -14.38965510
  H     11.24247342     12.77675748    -17.35152882
  O      9.54839462      9.59829656    -12.25752941
  H     12.27914550     12.42125311    -10.13283508
  H     12.41793869     11.85510258    -16.94523660
  O     13.72708039     13.73466180    -15.09515462
  H     12.13315392     10.86562503    -10.14998382
  H     16.17588035      9.35391720    -11.56619790
  O     13.84566848     10.95306104    -17.38888108
  H     11.23608063      9.23128276    -11.35808979
  H     17.54215878      8.73595559    -11.93960857
  O     10.33541409     13.28055113    -12.50500690
  H     12.56951863      9.43156420    -12.07210264
  H     16.26399362     10.56845181    -15.25022463
  O     15.96685810     12.28839435    -15.99068976
  H     13.29380907      9.31461737    -14.51214885
  H     16.51689753      9.58608829    -14.06110584
  O     12.81344028     13.71912846    -11.25004253
  H     12.18262353     10.29200772    -13.99158667
  H     14.21096270      7.59947205    -16.25585826
  O     14.25747609     12.12699827    -12.93118547
  H     14.90780257     16.53642593    -10.79093065
  H     14.95324974      8.81819331    -15.64599032
  O     11.67858474     12.38584373    -16.59869335
  H     15.11022844     15.59252712    -11.99841533
  H     16.86062829     12.57144252    -11.51232592
  O     16.90871365      9.39739638    -12.20600644
  H      9.85516731     10.12445876    -13.01378457
  H     17.13881546     11.21567287    -12.25575527
  O     16.30455194      9.63574264    -14.99996131
  H      8.82884296      9.05921833    -12.57726911
  H     10.14544072     11.74207581     -9.88765469
  O     14.08893583      8.50049121    -15.97132569
  H     13.81972565     13.17734694    -14.30590467
  H      9.26909781     10.98664725    -10.90195131
  O     17.04147009     12.16755073    -12.37684481
  H     12.94213686     13.43121895    -15.56257952
  H     14.81441450     15.03032531    -14.24865768
  O      9.30453547     11.78418200    -10.35970437
  H     14.67091754     11.37069216    -17.11210911
  H     16.32638960     15.00754208    -13.96786345
  O     15.50094869     15.42430144    -13.69427574
  H     13.87232088     10.05639919    -17.03220520
  H     15.79748513     14.13780267    -10.28623370
  O     16.27774345     13.33036518    -10.06394185
  H      9.84280648     12.90660986    -11.76089448
  H     15.69950921     12.79822749     -9.50407389
          69
 Energy    -248.38014455647635     
  O     10.19782092     12.63726850    -12.48783070
  H     10.01178399     11.71509657    -12.28093409
  H     13.93284553     12.40438259    -12.98252275
  O     13.58292721      8.94596506    -15.93582224
  H     10.57983404     12.62589014    -13.37638023
  H     16.89037000     10.65067781    -11.48385612
  O     12.30211679      9.58424882    -13.57790105
  H     13.05815491      8.33421626    -16.44655780
  H     16.44705461      9.14856594    -11.58282317
  O     16.13769252      9.07758220    -14.75461100
  H     13.09342615      9.11955242    -15.11561363
  H     16.35126440      8.09405150    -13.40647320
  O     12.54816748     12.11095867     -9.57601980
  H     12.87222149     10.10678086    -12.98953593
  H     17.03421418      6.90601784    -12.67829256
  O     14.71091725     11.37911215    -17.00353252
  H     11.43136309      9.55329046    -13.15847922
  H     13.98959500     14.44818406    -12.47249513
  O     13.20144403      7.87968948     -9.24612412
  H     16.23554636     10.03810009    -14.70293477
  H     13.08304077     14.85796574    -11.30497628
  O     13.80974119     11.02850527    -11.82926541
  H     15.32215809      8.91745897    -15.24392184
  H     13.17721829      8.07680023    -12.52683917
  O     11.10967171      9.74207818     -9.67726678
  H     12.13973902     12.93676698     -9.86608755
  H     14.55158133      7.45934287    -12.17266866
  O     16.08336497     13.56084312    -10.48038457
  H     13.29498995     12.32551156     -9.00294952
  H     17.11333015     12.73560689    -11.56878215
  O      9.95582866      9.77425196    -12.09893100
  H     15.37303897     11.61920609    -16.34505484
  H     18.56470538     12.50327031    -12.05120337
  O     13.93819610     13.05112832    -13.70569113
  H     14.35744590     10.52608044    -16.72151032
  H     11.70384129     12.31269295    -15.82089975
  O     16.31168285      9.97651811    -11.10552928
  H     13.35414275      7.71161709    -10.19241152
  H     11.76232252     11.25733224    -14.67036819
  O     16.38444625      7.59413372    -12.56867148
  H     13.11682054      7.02650927     -8.82773857
  H     15.12050171     12.67066601     -7.20923554
  O     13.98308761     14.94005332    -11.63955014
  H     14.66123111     10.66163786    -11.56133164
  H     15.04029058     11.47020850     -8.18524540
  O     13.62108772      7.48414844    -11.91319572
  H     13.37470542     11.38157124    -11.04233851
  H     16.86039128     12.02683134    -13.87591236
  O     17.67007041     12.19188829    -12.15843989
  H     11.76735367      9.07193952     -9.45640814
  H     15.44940798     12.35538588    -14.38374411
  O     11.53830565     12.16994014    -14.87668398
  H     11.54254873     10.59552173     -9.53298489
  H     12.33740903     13.24966374    -18.14662723
  O     14.89773958     12.43144424     -8.10452503
  H     15.38288396     14.12275622    -10.84361784
  H     13.20655386     12.23355146    -17.38262639
  O     16.26013284     11.87737038    -14.61593047
  H     15.74889683     13.21321186     -9.64726175
  H     15.71188975      9.82168703     -9.40109307
  O     12.30455947     12.58886679    -17.46039371
  H      9.09984196      9.35659607    -12.06136308
  H     14.51687663      9.15197378     -8.69706305
  O     15.22004882      9.79855947     -8.56726746
  H     10.33315604      9.72771809    -11.20071409
  H     10.88385378     13.76940249    -11.36922260
  O     11.32046432     14.33863700    -10.70963195
  H     13.12079923     12.90988144    -14.19746004
  H     10.67057198     14.97489450    -10.42400012
          69
 Energy    -248.37989781546082     
  O     16.63730238     10.60017880    -17.01749070
  H     16.13716385     10.94444231    -16.26363154
  H     18.53460897      6.14269309    -12.58702876
  O     15.58042369      6.26200277    -13.89429760
  H     17.47321166     11.09544773    -17.04432263
  H     22.26543071     10.41382630    -16.34069822
  O     17.04017189     13.91143329    -12.13569849
  H     16.07348244      6.07601055    -14.70662099
  H     21.08644543      9.78810460    -15.55778929
  O     20.28354259      9.10643372    -14.12821573
  H     16.21118366      6.12214553    -13.17914049
  H     17.55541699      7.81725026    -15.47449151
  O     15.82783067      6.65147616    -18.52888025
  H     17.48130102     13.50449426    -12.89439613
  H     17.41621994      9.33074645    -15.78127224
  O     15.78374867     10.77183564    -10.87606135
  H     16.11008051     13.67089448    -12.22555051
  H     17.34125589      7.92039409    -12.08044441
  O     18.09546673     12.14460004    -14.06524372
  H     20.14184731      9.64518505    -13.33907921
  H     17.21758719      8.82113347    -13.32708050
  O     19.91827758      6.33405375    -13.63411993
  H     19.41105429      8.96612746    -14.53134750
  H     14.37189027      8.57336266    -16.26063812
  O     14.24133881      8.58786152    -14.35524157
  H     15.27517134      7.32319596    -18.08837860
  H     15.20180132      9.37624215    -17.27925513
  O     19.90654011      5.52489008    -16.36389873
  H     15.28002463      6.22483041    -19.18150504
  H     18.33720377     12.85359970     -9.37790241
  O     17.18711860      6.12023334    -16.14262375
  H     16.15671709     10.03713033    -11.38223394
  H     17.74566909     13.00266026    -10.79999864
  O     17.74656150      6.12271948    -12.01441100
  H     16.53456583     11.23027263    -10.47920141
  H     18.56158300      9.93122435    -12.03620539
  O     21.35272777     10.14841179    -16.42099066
  H     18.56202263     11.62066849    -13.40142051
  H     19.04561840     11.19470878    -11.28731078
  O     17.71894560      8.70063408    -15.11932948
  H     17.23115774     11.73005687    -14.19367362
  H     14.87313413     11.92653649    -11.80152554
  O     17.17926908      8.83015885    -12.36039156
  H     19.96611292      5.96551415    -14.52469294
  H     13.64126767     12.84435064    -12.01479971
  O     14.58019814      8.64124527    -17.20021794
  H     20.20968482      7.25089701    -13.71668211
  H     20.71220623      8.61502395    -17.36515124
  O     18.08464111     12.35879844    -10.15245383
  H     14.72693356      7.77159142    -14.14366236
  H     19.46935413      8.11853490    -18.14115511
  O     19.27072240     10.59307306    -12.00686592
  H     13.38293481      8.50123117    -13.94761050
  H     15.09560743     10.25159729    -14.41496101
  O     14.48490727     12.60348228    -12.38703198
  H     20.40840743      4.83597934    -16.78995316
  H     15.04013509     11.71828302    -13.91611893
  O     20.27263721      7.82179725    -17.68834206
  H     20.09127736      6.35054031    -16.85052768
  H     18.84352041     12.05276081    -15.77822942
  O     15.47340534     11.13153860    -14.54878888
  H     16.76809621      6.19535244    -17.00940821
  H     19.84902360     11.31403121    -16.69555856
  O     19.02361178     11.81169436    -16.69817096
  H     18.08743291      5.79540637    -16.26933635
  H     17.44294985      9.37682195    -18.35330024
  O     17.87294203      8.64076864    -18.80145078
  H     17.94214034      5.52434028    -11.29887096
  H     17.20994734      7.94179791    -18.85417821
          69
 Energy    -248.37984295754336     
  O     16.19059527     10.43359887    -10.94237547
  H     16.05240711      9.63917571    -10.39920523
  H     13.98302639      8.54622683     -9.38247930
  O     15.07356925      4.88873683     -7.85151501
  H     16.72499992     11.05052356    -10.41818184
  H     13.14744938      7.08416656     -6.76887078
  O     17.74077902     11.86133831     -9.22646590
  H     14.19140232      4.75782603     -8.22178699
  H     12.31850120      6.33005249     -7.83075735
  O     12.50109259      4.86278187     -9.02558793
  H     15.64822088      5.05869377     -8.61031815
  H     19.47878419      6.36659674    -11.37170335
  O     14.97521393      8.93610419    -12.97558256
  H     17.35197980     11.73262302     -8.35352771
  H     19.15233732      7.68190573    -12.11521636
  O     18.58778848      9.48020852    -12.11273774
  H     18.57148833     11.37038329     -9.25081981
  H     17.53940435      5.60411714     -9.98705024
  O     19.96989422     10.17222018     -9.82273907
  H     11.88585737      4.14335155     -9.14047935
  H     16.34494731      5.74777557    -10.99694568
  O     19.34663633      5.72495746     -9.62826745
  H     12.71001430      5.19293660     -9.91717446
  H     15.83428335     12.03213648     -6.28590342
  O     13.08251114      5.82002987    -11.50612580
  H     15.34913976      9.57135355    -12.34955467
  H     15.32334416     11.39333735     -7.59784139
  O     14.19357852     11.33955256     -8.94834753
  H     14.03678682      8.86476678    -12.76037867
  H     17.54976105      7.88323565    -14.64001957
  O     12.36360023      8.56308322    -11.94427442
  H     17.77619253      9.79966810    -11.69857063
  H     16.49914684      8.91818127    -14.19797767
  O     13.05706112      8.82659731     -9.32622014
  H     18.35094302      9.34339177    -13.04209154
  H     16.13141608      8.38518687     -8.55452341
  O     12.34686604      7.14036400     -7.30371375
  H     20.86765108     10.45420945     -9.98260686
  H     16.02395086      7.31774393     -9.67673807
  O     19.39524521      6.75670552    -12.24960575
  H     19.59527807      9.93978681    -10.68873149
  H     15.03554968      6.08852682     -6.61066483
  O     16.57828917      5.64515291    -10.06416775
  H     19.88224271      5.07654922     -9.17984669
  H     14.90549431      6.38761253     -5.09876995
  O     16.03736734     11.36478671     -6.93622906
  H     19.32679385      6.51743988     -9.06109824
  H     16.33911042      6.01351439    -13.27513347
  O     17.40722781      8.82947509    -14.51537077
  H     13.94792701      5.78148309    -11.93186761
  H     15.46584404      7.16112842    -12.71459465
  O     15.75561632      8.21046837     -9.42749402
  H     12.72621786      6.68932940    -11.72393179
  H     19.49023911      8.75992927     -8.65574232
  O     14.92440145      6.80401678     -5.95699487
  H     13.63053389     10.55352647     -8.98316862
  H     18.44138680      8.22378054     -7.64285003
  O     15.66394444      6.21921222    -12.61677119
  H     14.71488045     11.30440577     -9.75680864
  H     16.14852821      8.09199472     -6.46674900
  O     19.21625551      7.97665043     -8.16358896
  H     12.53105617      8.70809086    -10.99628881
  H     16.51655783      9.58915483     -6.77297598
  O     16.78836777      8.67091398     -6.90372600
  H     11.51720084      8.95675117    -12.13944845
  H     18.47913296      6.19028852    -13.60602203
  O     17.86162186      5.98467016    -14.33249864
  H     12.66735450      8.32094460     -8.59975400
  H     18.31333665      5.38645412    -14.92065510
          69
 Energy    -248.37966496797080     
  O     13.97687385      2.87575033     -9.71759995
  H     14.43862049      2.03574614     -9.61038057
  H     13.81675207      3.61402222    -15.41783217
  O     12.64159149      2.37340640    -12.10253745
  H     14.62398037      3.52429529    -10.03659118
  H     12.89195663      8.08267774    -10.06355488
  O     16.82340111      3.41451977    -12.95708799
  H     13.10822175      2.53282630    -11.26871353
  H     13.75304915      8.80793862    -11.13919546
  O     17.91194673      5.59827372    -14.17537923
  H     11.96546462      3.05621927    -12.16668795
  H     13.38916849      6.86060380    -11.82067052
  O     10.59270842      7.68217398    -12.39773663
  H     16.02422377      3.19996185    -13.45543877
  H     13.74426004      6.28553578    -13.21797053
  O     13.52864810     -0.30715695    -11.91403977
  H     17.27050803      4.14089487    -13.41691316
  H     11.48008499      4.73016524    -10.20923435
  O     15.22096947      0.35650682     -9.87364488
  H     18.74138048      5.91716430    -14.52061421
  H     12.58787608      4.06405068     -9.36102274
  O     16.24158113      7.74924588    -13.89409748
  H     17.34906693      6.38290711    -14.06578502
  H     16.06803091      0.12527886    -13.39228256
  O     15.59491840      9.02874537    -11.37253893
  H     10.56531529      6.74708630    -12.16834218
  H     15.82452707     -0.78609084    -14.62111946
  O     10.83004650      4.87947763    -14.89438240
  H     11.30804271      8.06753832    -11.87198573
  H     14.90946294      5.20922641    -11.38942973
  O     13.79299367      6.83538473    -14.95881261
  H     13.02079109      0.50729805    -12.02920197
  H     16.15441866      4.29679528    -11.52470061
  O     13.41853117      4.25724696    -16.02799892
  H     14.07120138     -0.39231753    -12.70781388
  H     14.75230546      1.59279104    -14.30910710
  O     12.88471868      8.41854029    -10.97107819
  H     15.32842985     -0.34189382     -9.23298068
  H     13.80390730      2.49464282    -13.47458763
  O     13.61602050      6.04722901    -12.29077962
  H     14.59715705      0.02802985    -10.54573275
  H     16.55765307      0.70401401    -11.25827532
  O     11.94983721      4.79131991     -9.37051757
  H     15.41327974      7.55393952    -14.35171357
  H     17.11053679      1.71057577    -12.30493675
  O     15.41414034     -0.12460323    -14.07160750
  H     16.00639715      8.18119468    -13.06544665
  H     12.05448232      5.17807773    -12.18366522
  O     15.59601471      4.75065804    -10.88056869
  H     15.75386791      8.36559120    -10.67621646
  H     10.88825005      4.73457727    -13.09675333
  O     14.43868842      2.50074756    -14.20640192
  H     16.13815339      9.78392912    -11.16169687
  H     12.70420815      7.31069957     -7.62844273
  O     17.03054313      0.76844395    -12.09604894
  H     10.80239826      5.82861984    -15.06986144
  H     12.62958355      6.27494240     -8.77330887
  O     11.16547606      4.78591831    -12.16897433
  H     11.63027090      4.56387957    -15.33102019
  H     14.91123270      7.09676022     -8.98444727
  O     13.03763094      7.11595508     -8.50023913
  H     12.92326500      7.24556779    -15.05454205
  H     15.86556715      6.25974464     -9.85922992
  O     15.75854949      7.12767866     -9.44480297
  H     13.75039010      5.98240420    -15.41088662
  H     10.89473036      7.79976881    -14.11284301
  O     11.12578308      7.73494272    -15.05679128
  H     13.58474053      3.93650253    -16.91100399
  H     10.62207959      8.40520214    -15.51024585
          69
 Energy    -248.37962639469453     
  O     -7.59843655     -2.93159660      6.20388170
  H     -8.26948137     -2.24065899      6.13373765
  H     -6.71871852     -0.95779802      3.62105784
  O     -9.19584189     -2.90479811      1.92639525
  H     -6.78888728     -2.50622926      6.51055008
  H     -4.53942712     -1.97014048      7.60663512
  O     -7.62536787     -4.32283077      3.87928084
  H     -8.76917806     -3.46168324      2.58885555
  H     -4.65307419     -1.56576421      6.11671033
  O     -5.17142079      0.70877004      0.73745634
  H     -9.90648153     -2.44036502      2.38436250
  H     -0.96800513      3.29837611      2.26975071
  O     -6.35911035      0.81820320      6.35672621
  H     -7.63685031     -3.89086571      4.75175421
  H     -2.36460942      3.72812524      2.78469834
  O     -5.44266070      5.22810132      1.58197753
  H     -7.58199559     -5.26225283      4.03576688
  H     -8.73188715      3.18157751      4.01807389
  O     -9.37747735     -0.82075070      5.51972892
  H     -6.03545473      1.04570836      1.02270639
  H     -9.36256982      2.46064713      5.23194478
  O     -3.93462976     -1.42056134      4.55650363
  H     -5.36207607     -0.15482830      0.36597220
  H    -10.65341477      0.24588076      2.60347549
  O     -4.00951236      3.27796538      0.33218824
  H     -5.90738249      0.06562762      6.75752356
  H    -10.17064626      1.66147848      3.02556379
  O    -11.10448625     -1.42439239      3.46513506
  H     -6.61388066      0.52033266      5.46729742
  H     -6.24726808     -2.13152356      1.98649877
  O     -3.56768359      0.94890171      3.05667549
  H     -4.96678295      4.55663470      1.06099201
  H     -6.38216867     -3.15936909      3.14449323
  O     -7.20317050     -0.18649288      3.94100433
  H     -5.60107311      5.96713733      1.00087112
  H     -7.55296048     -0.52930285      0.76711093
  O     -5.14249476     -1.61562336      6.95910733
  H     -9.42887823     -0.04897656      6.09533165
  H     -7.99227044     -1.98753774      0.96116655
  O     -1.89163547      3.06425481      2.25090618
  H     -8.66384638     -0.63067811      4.88896146
  H     -7.98508557      1.39221677      6.84013002
  O     -9.54319388      2.76559080      4.33635113
  H     -4.49179017     -1.88417070      3.91504244
  H     -9.05293994      2.01457954      7.77077738
  O    -10.26990669      1.06245810      2.26831114
  H     -3.66873718     -0.60341189      4.11747473
  H     -3.98042622      4.14053091      4.22176487
  O     -5.86152599     -2.40895536      2.82956078
  H     -4.38048837      2.38790075      0.29275099
  H     -4.14108731      5.09256844      3.02160244
  O     -7.25875064     -1.43612977      0.64060425
  H     -3.19222733      3.19992092      0.84043713
  H     -4.49408693      2.01268638      4.21236359
  O     -8.93146862      1.59952192      6.92073895
  H    -10.58966275     -1.25197222      4.27068974
  H     -5.35538094      2.11870286      5.49688034
  O     -3.49476141      4.75516704      3.65410919
  H    -11.98547686     -1.66048250      3.74507100
  H     -7.47769822      2.19128472      2.09005806
  O     -4.96571885      2.63726641      4.78325452
  H     -4.10222124      0.79112963      2.26689678
  H     -8.65493818      1.24924485      1.70541836
  O     -7.69406755      1.36884777      1.62623971
  H     -2.86718500      1.56161178      2.79832880
  H     -6.62193168      4.22910509      2.61587372
  O     -7.03717026      3.55385167      3.16696468
  H     -7.42294334      0.35491753      3.17470516
  H     -6.35251359      3.24345407      3.77637840
          69
 Energy    -248.37948764665256     
  O     -4.88170559      5.41366616      1.68408847
  H     -4.10547495      4.94306838      1.33222968
  H     -2.07132529     -3.13203137      2.33300276
  O      1.45341644      1.63770705      2.51485375
  H     -4.85603022      6.29467879      1.31981096
  H      1.70894365      2.46903099     -0.66002727
  O     -2.38977293      1.02345839      4.21240033
  H      2.15106266      1.49779822      3.15025620
  H      1.67335232      1.67997973      0.65692852
  O     -4.79173062      0.11843076     -0.11504725
  H      0.83869658      0.88900935      2.60668388
  H     -6.82532207      3.10200375      2.57913612
  O     -2.63482207     -1.69164716     -1.00020682
  H     -2.16999360      1.85257145      4.65152687
  H     -6.35266080      4.17949234      1.59270732
  O     -0.49190247     -0.26842606      2.68475722
  H     -2.93237592      1.25913059      3.44218087
  H     -7.22426391      2.05771037      0.70516772
  O     -6.60786783     -0.34208098      4.85972271
  H     -5.68190334      0.49572053     -0.13383083
  H     -8.06753749      1.34619849     -0.37808333
  O     -7.38966906     -0.78912005      2.30338211
  H     -4.81951049     -0.63665011      0.49337616
  H     -1.93144188      3.89697917      1.39114745
  O     -4.31428271      4.51849019      4.35692538
  H     -3.39588654     -1.10305560     -0.98560443
  H     -2.68670361      3.32954190      0.12932110
  O     -0.73704924      0.12668170     -0.10243431
  H     -1.87569856     -1.13056895     -0.78309047
  H     -3.49530091      1.39120177     -0.87698603
  O     -4.90322987     -1.93699102      1.72503863
  H     -1.09745058      0.24279804      3.24014400
  H     -1.97280797      1.36208790     -0.70906890
  O     -1.70501901     -2.69254453      3.11036442
  H     -0.75152610     -1.19345834      2.79861751
  H     -4.84065084     -1.02228897      4.62084909
  O      1.61339452      1.58712787     -0.30555210
  H     -6.98010906     -0.50446306      3.97361288
  H     -3.40516466     -0.49605027      4.38745317
  O     -6.98974467      3.46304674      1.69692158
  H     -7.25743027     -0.64090740      5.49057852
  H      0.14777567      3.06304195      2.52015992
  O     -7.33568344      1.22054160      0.22037886
  H     -7.48414845     -0.10476262      1.63131980
  H     -0.91755389      3.73247877      3.41684287
  O     -2.76322862      3.91906332      0.89461104
  H     -6.64051403     -1.33483960      2.02520238
  H     -2.73098256      4.01418136      4.83508089
  O     -2.70636256      1.93590906     -0.97261124
  H     -4.94231441      3.78506047      4.41496609
  H     -1.60158482      4.05905753      5.88978733
  O     -3.97488857     -1.26998534      4.27307044
  H     -4.50411256      4.95526870      3.51850552
  H     -5.27702314      2.04130660      3.31963140
  O     -0.57038524      3.70486545      2.51597789
  H      0.10131882      0.55401641     -0.32309818
  H     -6.19329191      1.44771390      4.41856306
  O     -1.85670658      3.65089354      5.06704747
  H     -0.72613166     -0.02744769      0.85111790
  H     -2.79100307     -3.05505710      0.06853055
  O     -5.93310306      2.27296906      3.99636841
  H     -4.36237202     -2.66643252      1.39931430
  H     -2.92764005     -4.57485293      0.33328866
  O     -2.97921072     -3.72141917      0.75428860
  H     -4.54402262     -1.68717690      2.58862916
  H     -3.56287857      2.49828881      1.73333898
  O     -3.97097280      1.70557517      2.10722840
  H     -2.46056304     -2.40358773      3.63618570
  H     -4.19746086      1.13482558      1.36590197
          69
 Energy    -248.37929094005210     
  O     16.65722238     10.93293259    -14.92589406
  H     16.82964936     10.84777579    -15.86980438
  H     17.90278831      4.44376240    -16.47735616
  O     12.70414640      6.26846820    -15.55146520
  H     17.47772849     10.69323881    -14.47914658
  H     18.16833675      9.02352624    -17.57109100
  O     18.21841320      5.41886696    -12.57264311
  H     12.56725622      7.21206083    -15.69270144
  H     18.54136767      7.57675397    -18.03148758
  O     18.10564983      6.17258188    -19.14039307
  H     13.02368376      6.17197583    -14.64386504
  H     16.50994723      6.29490087    -15.67023226
  O     15.41068521      6.32389386    -18.91101783
  H     18.92580015      5.36104581    -13.22628604
  H     17.41814143      7.49176797    -16.09833315
  O     13.72237945      5.98150896    -12.96596023
  H     17.92258964      6.33876315    -12.58752724
  H     14.30035797      9.54834504    -13.24559454
  O     17.15442679      8.00468716    -12.96378901
  H     17.13258013      6.18261671    -19.09439317
  H     15.02512403     10.39652552    -14.32556368
  O     16.21838577      4.49227377    -15.83406596
  H     18.33577378      5.97180229    -20.04335797
  H     14.73298689      2.16298193    -10.49514038
  O     12.31080489      4.04572989    -11.55355964
  H     15.18546884      7.15912178    -18.48002496
  H     13.74864076      2.94865029    -11.37675584
  O     20.24611628      8.19028196    -15.05971057
  H     14.86086257      5.65840124    -18.48024929
  H     13.09857720      9.46481354    -15.23672966
  O     13.83356157      4.57547207    -17.31049925
  H     14.50307827      5.41189686    -13.04321462
  H     11.79806182      9.64574273    -16.05929148
  O     18.79478240      4.63313980    -16.80473247
  H     14.00015674      6.80127424    -12.54041279
  H     19.74115662      5.10235429    -15.42438662
  O     18.65261823      8.22523675    -17.32404448
  H     16.92706902      7.75829242    -13.87427968
  H     20.98748441      4.82321457    -14.55622052
  O     16.64754848      7.24634314    -15.56921170
  H     17.79895921      8.72016676    -13.02335210
  H     16.70134833      4.54826007    -12.85201311
  O     14.16061265     10.05613585    -14.05174751
  H     16.04495079      4.27204452    -14.90697530
  H     15.53511065      3.53072739    -12.53489585
  O     14.60259855      2.48610287    -11.38316301
  H     15.39520211      4.40566010    -16.32854059
  H     14.07147022      8.79050324    -16.95205412
  O     12.56041791      9.08384619    -15.95681882
  H     12.71173581      4.78867028    -12.03252582
  H     15.43504343      8.12714576    -16.60573619
  O     20.21834431      5.38344960    -14.62337232
  H     11.42901223      3.95430674    -11.90647567
  H     14.79681462      8.56626277    -10.89745703
  O     15.84086338      4.21304910    -13.14670174
  H     19.81649473      8.23325007    -15.92584071
  H     15.63765727      8.23078836    -12.15454729
  O     14.94495431      8.58631684    -17.30609186
  H     20.30738223      7.25241729    -14.84185664
  H     19.51304336      9.38629622    -14.07151660
  O     14.72912502      8.34560443    -11.82266886
  H     13.38262783      5.18877034    -16.70109597
  H     19.63199185     10.55431163    -13.06274400
  O     19.00064118     10.01555624    -13.53088435
  H     13.20575307      3.89253793    -17.52895177
  H     16.14684112      9.81628969    -17.68698557
  O     16.92564764     10.39493097    -17.76841021
  H     18.66980169      5.08319407    -17.64668866
  H     16.72863717     11.03215917    -18.44981293
          69
 Energy    -248.37876542319310     
  O     14.61434004      6.48705035     -8.66975654
  H     13.77605317      6.14767664     -9.01675598
  H     13.54388587      7.85684358    -14.12485217
  O     14.96168395      6.58029875    -16.45377229
  H     15.32014257      5.97446743     -9.08002793
  H     16.50341552     10.44098184    -12.98807899
  O     18.28772676      7.93575509    -14.34490830
  H     14.60275785      6.15135986    -17.22645036
  H     17.26777359      9.11770643    -13.38686672
  O     15.77486654     11.95695660    -13.51692351
  H     14.20569709      6.92685374    -15.94872557
  H     13.88449024      8.52670214    -11.91539317
  O     11.09241711      6.36231754    -13.37924554
  H     17.77087107      7.11519352    -14.36649026
  H     15.22506128      8.61324406    -12.69267887
  O     18.57529982      4.88204988    -12.28065681
  H     18.91151306      7.84316358    -13.61539550
  H     12.26471118      5.03833762    -10.54280051
  O     12.50220392      4.15709787    -12.23454000
  H     14.90375064     11.97501335    -13.10254906
  H     11.68885785      6.39278274    -10.11075697
  O     17.39503602      8.36793118    -10.35187724
  H     15.61827142     11.82804670    -14.46207207
  H     20.46635800      7.79524362    -11.46865279
  O     13.08198944     11.67262639    -12.49751786
  H     10.93142221      6.90730075    -12.59930771
  H     18.94472070      7.84303571    -11.22229933
  O     15.21640667     11.24257006    -16.21107973
  H     11.47173565      5.53859036    -13.04720020
  H     15.50939900      5.37752293    -11.54878196
  O     12.81816157     10.46573861    -14.90493265
  H     18.08898747      4.96513195    -13.10927679
  H     14.66495607      6.36564804    -12.38870156
  O     12.98753359      7.63747931    -14.88858541
  H     19.07496913      5.70277238    -12.18551368
  H     17.32132934      8.66134319    -15.81537540
  O     16.73311922      9.54483965    -12.70592718
  H     12.58642182      3.21837764    -12.37906079
  H     16.05072928      8.12878531    -16.50769442
  O     14.41056518      8.10060219    -12.60170366
  H     13.39655885      4.53403732    -12.30404540
  H     16.18014664      5.82713587    -15.19557801
  O     12.23150025      5.65684611     -9.80376351
  H     16.74121055      8.66545937     -9.70951701
  H     16.08632093      5.49572060    -13.69631991
  O     19.62636379      7.53844444    -11.84220215
  H     17.17204756      8.83750142    -11.17221794
  H     11.58224417      8.53324473    -10.80762994
  O     14.91188078      5.43190169    -12.30650013
  H     12.92313670     11.21912793    -13.34628199
  H     10.06884415      8.30876727    -10.59722573
  O     16.59271486      8.91923893    -16.39289225
  H     12.52157139     12.44476843    -12.49228298
  H     16.98988830      6.52748846    -10.27902267
  O     16.71728536      5.63635600    -14.41704033
  H     15.35916612     11.73871344    -17.01267991
  H     17.44460859      5.16791819    -10.85224983
  O     10.85911674      7.89920272    -10.94155582
  H     15.73257810     10.42132780    -16.29602693
  H     15.15101335      9.46947899     -7.90509765
  O     16.78479059      5.58212357    -10.27767542
  H     12.74242365      9.50887412    -15.00524295
  H     14.88530672      8.16171658     -8.69166161
  O     15.10183594      9.10971796     -8.78698546
  H     13.57707611     10.73342431    -15.43946042
  H     13.10641311     10.37220586    -11.19571050
  O     13.03702383      9.56509575    -10.66661455
  H     12.22622321      7.16792299    -14.51814447
  H     13.74512451      9.54592578    -10.00987255
          69
 Ord_Energy   -248.378738    
 O  -0.290827036      -3.45855165      -1.13548625    
 H  -0.601885676      -2.85933900     -0.432320029    
 H   0.608714342      -3.21265554      -1.33326280    
 O   -4.65716553      -2.32829142      -4.37243462    
 H   -5.17285681      -3.12379932      -4.54954243    
 H   -3.89687014      -2.59479928      -3.83818793    
 O   -6.82391167      -8.49960613      -1.73570645    
 H   -6.16421366      -8.47392654      -1.02257216    
 H   -7.16654873      -9.39010334      -1.75356770    
 O   -5.93997955      -1.11846757       1.07235384    
 H   -6.50151348      -1.22905219      0.281855047    
 H   -6.37928534     -0.492954642       1.64159405    
 O   -5.45797539      -6.98156881      -3.75331354    
 H   -6.03921032      -7.52516222      -3.20817471    
 H   -4.64585972      -6.91053820      -3.23573422    
 O   -2.76265264      -2.75789905      -2.32842708    
 H   -1.88074780      -3.05370545      -2.07628441    
 H   -2.99101067      -2.02339578      -1.73983145    
 O   -2.55271077      -4.20392418       2.05650210    
 H   -2.65013814      -4.79191542       2.81621242    
 H   -2.21544290      -4.75057650       1.33069122    
 O   -5.67885971      -6.78809595       4.07612038    
 H   -6.08129263      -6.59433222       3.21363139    
 H   -6.33626270      -7.27159357       4.56936836    
 O   -6.55575275      -6.13620949       1.56137407    
 H   -6.11995983      -5.27217484       1.53662562    
 H   -7.23088646      -6.13495064      0.867094159    
 O   -3.71461225     -0.727131963     -0.642981648    
 H   -4.17675829     -0.379672259      -1.41843545    
 H   -4.40271139     -0.845236361       2.47815698E-02
 O   -7.36303091      -4.01606369      -2.30887485    
 H   -7.24526119      -4.17220926      -3.25249529    
 H   -6.47367096      -4.12030792      -1.93235862    
 O   -3.02117300      -6.19054651       3.99578047    
 H   -3.97025132      -6.38909817       4.07665491    
 H   -2.62999105      -6.36605787       4.84784746    
 O   -6.29944515      -4.63821840      -4.86046791    
 H   -5.98278809      -5.48559332      -4.50037193    
 H   -6.62679529      -4.82289124      -5.73694420    
 O   -1.46750772      -1.91842639      0.767327487    
 H   -2.18963885      -1.38910604      0.409293979    
 H   -1.86052537      -2.58162999       1.35136259    
 O   -5.17851067      -3.76277757       1.39479554    
 H   -4.26212978      -3.83499575       1.69704962    
 H   -5.44839811      -2.83658791       1.41905951    
 O   -3.57738137      -6.65154886      -1.67131424    
 H   -4.06102657      -5.81431055      -1.58167601    
 H   -4.00033951      -7.25437546      -1.04507458    
 O   -7.26725769      -1.40602803      -1.24497283    
 H   -7.44324398      -2.27883148      -1.62055743    
 H   -6.70788622     -0.944179118      -1.88190305    
 O   -5.31614256     -0.147913888      -2.91569734    
 H   -5.12199545     -0.903266370      -3.49978161    
 H   -5.41673994      0.614820242      -3.47875977    
 O   -1.52668035      -5.75629759      -2.91600004E-02
 H   -2.15720153      -6.07267332     -0.692932725    
 H  -0.978736401      -5.08904696     -0.458515018    
 O   -2.58520341      -7.83310318       1.64965928    
 H   -2.68887353      -7.37991810       2.49441910    
 H   -2.04785395      -7.24322271       1.10593247    
 O   -4.83288336      -4.26566553      -1.29250836    
 H   -4.92607975      -4.07203054     -0.350433618    
 H   -4.12178135      -3.71676016      -1.64834738    
 O   -4.98172188      -8.08924294      0.296586215    
 H   -4.16007519      -8.17003727      0.802281737    
 H   -5.51499319      -7.42154408      0.751157701    
 O   -8.16347790      -6.18478680     -0.650980949    
 H   -8.02503586      -5.43515205      -1.24440920    
 H   -7.83849716      -6.96341085      -1.11845660    
          69
 Energy    -248.37850600017023     
  O     13.44842266      8.90830007    -17.52718067
  H     12.52865960      9.18004838    -17.35545030
  H     16.92967957     10.30451274    -11.78639481
  O     11.61701240      9.00927254    -11.48870737
  H     13.42348686      8.28434557    -18.24704039
  H     14.78762560      7.89183727    -13.39956779
  O     14.25522212      8.97482882    -14.81936260
  H     12.07144385      8.19059056    -11.25420481
  H     15.70797338      8.09826276    -12.17967934
  O     11.93861710     12.90953945     -9.04072570
  H     11.29557197      9.40456143    -10.66357659
  H     13.14734294     14.81520434    -11.92373490
  O     14.19335879     11.65264845    -17.15866378
  H     14.85867586      9.73103626    -14.80216850
  H     13.98161605     16.00832956    -12.44767573
  O     11.61857818      9.71321721    -14.09892450
  H     14.05988533      8.80049454    -15.74862862
  H     13.92030584      7.00462574    -11.39023906
  O     13.44247667      8.63050003     -8.45983927
  H     11.75377106     13.43567455     -8.26567546
  H     13.08016904      5.90782041    -10.69278610
  O     13.84549002     10.75309831    -11.56505240
  H     12.88437255     12.69040285     -9.00898694
  H     17.11797585     12.46447791    -12.12104544
  O     11.16019678     10.12523849     -9.06652006
  H     14.03892144     10.73412943    -17.41377888
  H     18.51969965     12.12913663    -12.67872891
  O     16.15802663     13.52380903    -11.09703618
  H     14.88208486     11.62087317    -16.48368209
  H     11.20829144     11.48519599    -13.98141135
  O     13.86346306     12.69012834    -13.59722215
  H     11.45064357      9.38863759    -13.20285878
  H     11.18876376     12.67251692    -14.96654616
  O     16.36359391      9.66802415    -11.33398627
  H     12.53461767      9.48341612    -14.30638357
  H     14.23268377     11.60765133    -10.06786621
  O     15.09012342      7.47475194    -12.58162714
  H     13.42876697      7.96132850     -9.15589510
  H     15.08534553     11.40524301     -8.80281411
  O     14.04636965     15.09749548    -12.17392632
  H     14.34580947      8.96283479     -8.42830597
  H     16.56467313     11.41251598    -14.23717123
  O     13.23795250      6.84783666    -10.71359238
  H     13.06555542     10.18564523    -11.57878610
  H     15.10502160     11.84094750    -14.43727228
  O     17.61775635     11.82031479    -12.65446071
  H     13.78882665     11.39683840    -12.28182171
  H     12.60476078     12.39991356    -16.90779215
  O     11.16181103     12.45235184    -14.02557874
  H     11.34169151     11.06841812     -9.00180249
  H     11.52133523     13.34701945    -17.46958687
  O     14.55211027     12.05952300     -9.26819980
  H     11.93790105      9.66307745     -8.71599630
  H     16.29482488      9.67376890     -9.52989958
  O     15.81349140     11.30206843    -14.82864258
  H     15.53145409     14.17702164    -11.43088121
  H     16.85807150      9.47911840     -8.10311783
  O     11.68498138     12.69727318    -16.79093747
  H     15.70261061     13.08630989    -10.36638605
  H     11.57222107     13.59560530    -10.80382087
  O     16.09301560      9.78172470     -8.58532676
  H     14.02379012     13.54584985    -13.18237944
  H     11.25756317     13.50734580    -12.33172176
  O     11.59753609     14.08298256    -11.63650220
  H     12.92245223     12.65036986    -13.81454329
  H     11.07307788     10.84436420    -16.91663594
  O     11.01471504      9.88626975    -16.82024393
  H     15.45353284      9.98319891    -11.46249586
  H     11.04014387      9.72468377    -15.86579151
          69
 Energy    -248.37849388155644     
  O     10.67293062      9.14138251    -12.24385227
  H     11.18386867      9.82020231    -12.70149740
  H     15.15463102     11.91536271    -15.36867487
  O     14.33960715      6.75163537    -14.55319960
  H     10.29887093      8.58192722    -12.93684055
  H     15.33828951      9.49473825    -13.13974281
  O     16.27127462     12.01482122    -10.75126325
  H     14.79723653      6.39839031    -15.32854811
  H     16.06102985      9.70429348    -14.48666955
  O     18.19230729      9.67729856    -17.08409464
  H     14.80764427      7.56345954    -14.29923694
  H     11.48514773      8.05262198    -11.12413314
  O     12.26751688      8.44933640    -15.52791661
  H     15.53600014     11.51863537    -11.15440907
  H     11.36030154      7.11318587     -9.90178232
  O     14.40616684     10.38820953    -11.82315255
  H     15.88921820     12.77499174    -10.32111577
  H     18.48978183      9.24613779    -10.74517716
  O     15.72700451      8.48946277    -18.00237135
  H     18.31128778      8.80528048    -16.66549277
  H     20.03236871      9.19210939    -10.85644909
  O     15.83438268      6.06467177    -12.12479527
  H     18.95840102      9.82556982    -17.63193891
  H     12.87399756      6.09499174    -13.54737853
  O     16.77675337     11.21362193    -15.23747589
  H     12.95660598      7.82246955    -15.27368054
  H     12.13213755      6.26297231    -12.19715282
  O     15.79579010      6.08730383    -16.81135240
  H     11.42442239      8.05951962    -15.26526025
  H     18.61023691     10.72215054    -12.45834891
  O     18.31261432      7.22706184    -15.93152177
  H     14.38000060      9.54590553    -11.34515428
  H     17.53453874     11.76981854    -12.15040747
  O     14.23029359     12.21037977    -15.43367511
  H     13.65451712     10.44985374    -12.42711631
  H     17.21331734      8.09251629    -13.40362160
  O     15.71881106      9.02554189    -13.89230173
  H     16.53087012      8.98915520    -17.82505829
  H     18.52373598      8.03843733    -12.57963355
  O     11.94759135      7.36817958    -10.60906309
  H     14.98360054      9.09276430    -17.85679344
  H     16.78818249     10.34074859     -9.94079086
  O     19.23328348      9.23180568    -11.37474891
  H     15.31842760      6.01807901    -12.93602226
  H     16.25420038      8.89035349     -9.88637134
  O     12.05294836      5.88822647    -13.08295647
  H     16.70045603      6.39883240    -12.39775878
  H     13.03135811      9.54762602    -16.83829030
  O     18.10593651     11.44118566    -12.85617116
  H     17.32092359     10.78310060    -15.90925562
  H     13.77344966     10.89456817    -16.80061559
  O     17.97265842      7.52996226    -13.18687998
  H     17.31645074     11.35224932    -14.44245926
  H     15.09741754      7.27555534    -11.02915681
  O     17.04913570      9.42616569     -9.77397288
  H     15.76271836      5.39322645    -17.46397515
  H     13.74742407      7.72798329    -10.40985865
  O     13.60308617     10.12814408    -17.35850586
  H     15.72596703      6.93335327    -17.29353172
  H     13.02144760     11.29794895    -14.31125076
  O     14.67158564      7.98336616    -10.52164369
  H     18.32318813      7.23538372    -14.96441449
  H     12.43333963      9.87662620    -14.39538234
  O     12.51599853     10.64434091    -13.81129992
  H     17.53654235      6.71670215    -16.18975481
  H      9.30913543      6.70153607    -14.55876614
  O     10.04859915      7.24370175    -14.29929429
  H     14.25516275     13.12992830    -15.68711108
  H     10.69907626      6.65563453    -13.87257554
          69
 Energy    -248.37838595724571     
  O     -5.72423126      0.45009365     -0.05557815
  H     -5.26574487     -0.35183930     -0.34394371
  H     -0.96173043     -2.62765748      3.34786942
  O     -5.35992092      2.13029764     -4.52231227
  H     -5.84284955      0.36362934      0.89853486
  H      1.00067407      3.05486224      2.97469723
  O     -5.69017116      0.11236922      2.73125197
  H     -5.89019069      1.65680552     -3.85572430
  H     -0.19732050      2.14069233      2.63103434
  O      0.02380066     -1.66618490      0.49787917
  H     -5.97579109      2.50983413     -5.14337873
  H     -1.15259142      4.47468108     -0.16731448
  O     -1.95823423     -1.11530948     -1.44216008
  H     -5.10474107      0.83137145      3.02761297
  H     -0.65730542      3.96918527      1.22312523
  O     -3.91714893     -0.35974222     -4.90559946
  H     -6.37464716      0.02551194      3.38940835
  H     -4.19511073      3.27755322      0.30356081
  O     -4.45871688     -1.96421969     -0.79910205
  H      0.43576263     -0.79710026      0.39336122
  H     -4.74724865      1.92934974     -0.28524730
  O     -1.75019576      0.69366885     -3.56747056
  H     -0.56971919     -1.74746452     -0.25946473
  H     -6.04496385     -2.81634070     -3.47006600
  O     -3.22645789      3.05666087     -2.96120487
  H     -2.05908636     -0.45874192     -0.73460436
  H     -5.27521795     -2.06195516     -2.36406444
  O      0.73444901      1.02408360      0.05528704
  H     -1.81644298     -0.60083618     -2.24672858
  H     -1.78062881      0.93201277      2.05923190
  O      0.48019764      2.04730940     -2.44303685
  H     -4.45981405     -0.97781504     -4.40162666
  H     -1.36063638     -0.03479820      3.17190959
  O     -1.31143388     -1.89074460      2.85401368
  H     -4.41475973      0.46707694     -4.92365180
  H     -3.15107789     -2.03541504      2.25474377
  O      0.42149016      2.79388906      2.26292340
  H     -3.56625167     -1.75774771     -1.11649476
  H     -4.55749390     -1.38966625      2.29293016
  O     -1.33267471      4.49641108      0.78007521
  H     -4.36958147     -2.17075880      0.14275475
  H     -1.13565640      1.16274241      0.08992089
  O     -4.14680444      2.67197324     -0.44540620
  H     -2.36770136      0.22708233     -4.14958708
  H     -2.63209365      1.68793166      0.00762040
  O     -5.67665104     -1.96587400     -3.24465750
  H     -2.21302674      1.50234522     -3.31115074
  H     -2.92018808      4.47308939      1.44662097
  O     -1.47995716      0.90371620      2.98387342
  H     -3.60716289      2.94925549     -2.07472222
  H     -4.16498322      5.24172253      1.95599269
  O     -4.04679064     -2.11113327      1.90624027
  H     -3.93077256      2.85113000     -3.58809303
  H     -6.49168125     -0.28310086     -2.95664289
  O     -2.05590334      0.98820689      0.33486021
  H      0.87653495      1.71145934      0.71420194
  H     -6.53594475      0.68007959     -1.76105472
  O     -3.83661957      4.36785742      1.76251216
  H      0.80191348      1.40948477     -0.83245297
  H     -3.94814574      2.90117030      2.94993014
  O     -6.70228003      0.62745351     -2.71025305
  H      0.06980566      2.91744701     -2.37408989
  H     -3.09074331      1.71499776      3.45093746
  O     -3.98516217      2.08116921      3.45674334
  H     -0.13601871      1.49892200     -2.94703848
  H     -1.83190439      4.03122823     -2.45861809
  O     -1.04064180      4.44841382     -2.07705876
  H     -0.81113737     -1.85442796      2.01841129
  H     -0.87420684      5.23650826     -2.58936778
          69
 Energy    -248.37788490090659     
  O     17.77850871      8.77871911    -11.62315529
  H     16.96068346      9.14067332    -12.00157066
  H     15.13738560     10.82665880     -7.50468059
  O     11.82842781     11.21069388    -13.35515103
  H     18.23834082      9.53494601    -11.24087371
  H     12.80181627     10.89653356    -11.80925896
  O     18.23877776      8.18005507    -14.31625133
  H     12.52884258     11.36833098    -14.01431959
  H     13.37644463      9.90417942    -10.72247823
  O     11.85705590      8.42793456    -13.90619041
  H     11.15472150     11.86816692    -13.50560720
  H     18.37941505     10.61842104     -9.04461348
  O     16.12070305      7.08864594    -10.20107759
  H     17.36515488      7.81247572    -14.50090452
  H     17.26991812     10.85037770     -7.99193794
  O     18.87819662     11.21545422    -10.76082104
  H     18.27275345      8.26928319    -13.35309092
  H     16.70107384     12.43916664    -13.46186869
  O     15.18412006     12.68507794    -10.10219937
  H     11.71604897      9.35642839    -13.68400057
  H     17.28930999     11.55991933    -14.60213196
  O     12.15513824      6.65393503    -11.87445411
  H     12.43045439      8.43490212    -14.68129305
  H     17.51874667      7.40375533     -6.95206550
  O     14.83987584      5.73274997    -12.36257660
  H     16.40234727      7.15716629     -9.28071960
  H     17.41884901      8.65006837     -7.86357590
  O     15.49264704      7.51821894    -14.33792192
  H     16.76478548      7.60810117    -10.70414649
  H     15.81319568     10.51633248    -13.30659522
  O     13.75885917      8.68975907    -16.05037732
  H     18.26555298     11.89237930    -11.07426825
  H     14.80779469     10.10553943    -12.19238798
  O     15.61695906     11.67440614     -7.50774733
  H     19.59054880     11.18619673    -11.41539012
  H     21.35025016     10.49558332    -13.09677503
  O     13.48499910     10.77099720    -11.13916434
  H     14.52495547     12.06760000    -10.44941648
  H     20.02848034     10.97860576    -13.70675827
  O     17.99149006     10.25784566     -8.23791687
  H     15.34065612     12.41959699     -9.18820852
  H     18.63894567      9.74490573    -14.90065296
  O     16.46671571     11.91245340    -14.23914922
  H     12.03188361      7.26778591    -12.62014841
  H     19.12654063     10.66464406    -16.04885638
  O     16.98300766      7.81068491     -7.62718086
  H     11.37152946      6.11242798    -11.83221790
  H     14.45692052      7.87754073    -10.13288372
  O     15.50970920      9.77579576    -12.76504689
  H     13.91068818      5.92716485    -12.18844796
  H     12.98684010      7.67518711    -10.57157346
  O     20.59817353     11.05981665    -12.92841742
  H     15.32514118      6.03231680    -11.58239092
  H     17.40530683     14.11523112    -11.74360567
  O     18.84904049     10.66775120    -15.13641676
  H     15.29402185      6.77341382    -13.75259478
  H     16.40391321     13.05875884    -11.21370781
  O     13.56315112      8.23964631    -10.04180126
  H     15.44654107      8.31248026    -13.78208886
  H     14.71111437     11.70286782    -14.98302554
  O     17.13481048     13.20606319    -11.84297931
  H     13.72533255      8.27875667    -16.91019476
  H     13.86359527     10.54730637    -15.57799303
  O     13.80977154     11.43473460    -15.19979846
  H     14.41522583      8.19613413    -15.52779344
  H     14.01252015      8.88125021     -8.31315614
  O     14.48895748      9.20204014     -7.53722719
  H     15.43726988     12.09212342     -6.66959699
  H     15.26914197      8.63823742     -7.45446028
          69
 Energy    -248.37781616413270     
  O     -4.78044797      3.93142403     -2.82192008
  H     -5.18857704      3.04630139     -2.85169676
  H     -5.79950534      1.92478692      2.18109706
  O     -1.59861554      1.06103639     -4.33797245
  H     -5.39023129      4.52586793     -3.25037457
  H     -4.54628066      1.82225655      4.47095715
  O     -4.25888729      3.50688549     -0.05492890
  H     -2.34968792      0.56407796     -3.98196543
  H     -3.82829311      2.31999307      3.19248664
  O     -3.60419205     -0.44292291      1.89310121
  H     -1.71436674      1.96197859     -4.01832919
  H     -0.60287351      1.32588579      1.74642292
  O     -0.80464283     -1.73273817     -0.77437285
  H     -4.49304283      3.86725951     -0.91569957
  H      0.68803877      2.12964485      1.59144657
  O     -3.65521014     -0.26068964     -2.95539293
  H     -3.96013448      2.59917716     -0.22930645
  H     -1.16864806      2.86164515     -1.53379269
  O     -5.12184091     -1.84412241      0.03487010
  H     -3.91149663      0.20817542      2.53607704
  H     -0.59036725      2.42117834     -0.11238345
  O     -3.27491569     -2.77354562     -1.70356812
  H     -2.64912271     -0.54704253      2.01048136
  H      2.15649099     -1.73486360      3.25378909
  O      0.27614484      0.18426071     -2.51829772
  H     -1.62198177     -2.13489523     -1.09132806
  H      1.82922487     -1.69636065      1.74043037
  O     -0.87356514     -0.53040055      1.74626920
  H     -0.48850633     -1.13251743     -1.46372514
  H      2.49339127      0.96784058      0.38048874
  O      1.83846257     -2.29333584      0.09673721
  H     -3.56454533      0.19468179     -2.10229171
  H      2.21878028      0.50663237      1.81648679
  O     -6.25767207      2.11310064      1.35407939
  H     -3.56063549     -1.19697312     -2.75035782
  H     -5.17594834      0.80367151     -3.07972207
  O     -4.45684991      1.65886104      3.53639848
  H     -5.78106483     -1.18438350     -0.21090952
  H     -6.30027916      1.08378560     -2.07104358
  O     -0.27161919      2.23268421      1.67119281
  H     -4.64931082     -1.47326708      0.79376174
  H     -3.18434512      3.61794066      1.51933414
  O     -0.80683960      2.13714648     -1.00953660
  H     -3.46972611     -3.67700878     -1.93718344
  H     -1.85561627      3.12996650      2.16883516
  O      1.72301718     -1.21631073      2.58194294
  H     -3.96362915     -2.49124896     -1.07371938
  H     -6.76035386      0.91137932      0.19033789
  O      2.29731801      1.29596399      1.26582842
  H     -0.23670605      0.33682702     -3.32259557
  H     -7.92917020      0.10625725     -0.41828491
  O     -5.84971145      1.45434869     -2.84000691
  H     -0.01347648      0.88834301     -1.91470996
  H     -3.37584941      0.47994621      0.29457988
  O     -2.76108763      3.40497506      2.36138066
  H     -0.05047919     -0.78729524      2.17948290
  H     -2.34701737      1.25912059     -0.60964387
  O     -6.99366414      0.27265893     -0.50626751
  H     -0.86253560     -0.93492321      0.86587561
  H     -2.96854939      3.80115867     -2.97757053
  O     -3.26955408      0.98205159     -0.52277607
  H      2.27652031     -1.60171362     -0.41658207
  H     -1.68155934      4.49211620     -3.47034943
  O     -2.00380807      3.71350490     -3.02118650
  H      0.92756039     -2.31483971     -0.22561942
  H      3.45726429      0.15673742     -1.92910572
  O      2.73520001      0.00906892     -1.32330895
  H     -5.69056655      2.74067961      0.88605921
  H      1.91761328      0.07052772     -1.84565468
          69
 Ord_Energy   -248.377762    
 O    3.85139513       2.21372652       7.56631565    
 H    4.81683064       2.21509647       7.54276657    
 H    3.59991264       2.16731644       8.49704647    
 O    2.63597655     -0.768043637       9.16451931    
 H    2.35046506     -0.569895804       8.26185989    
 H    2.70296788       7.63170496E-02   9.62640285    
 O    1.86665142      0.921336412       3.93491125    
 H    1.12229753      0.812419295       3.34982014    
 H    2.64654112      0.572754681       3.46624589    
 O    6.66912127       2.34250045       7.34544277    
 H    6.73905516       1.72186935       6.59927845    
 H    7.04476261       3.16998911       7.05489445    
 O    8.91217613     -0.930232346       6.18730783    
 H    8.32298660     -0.269834101       5.80221319    
 H    8.62467003      -1.77734852       5.82376099    
 O    5.58263302      -1.61396420       4.41034222    
 H    6.30302525      -2.24323916       4.51875353    
 H    4.81773329      -1.97182643       4.88909769    
 O    5.68562269       2.52829933       3.37528157    
 H    4.92103481       2.79275155       3.91882372    
 H    5.86187553       3.24778152       2.77559495    
 O    5.40046644     -0.932141423       8.16672516    
 H    5.98310137     -0.406860560       8.72628975    
 H    4.52137041     -0.878235817       8.55722618    
 O    5.65552521      -2.39762402       11.6909208    
 H    6.39285612      -2.57970381       11.0823383    
 H    5.87863779      -2.81793904       12.5178881    
 O    7.66306019      -2.93977427       9.92476463    
 H    7.22218609      -3.24990106       9.12189674    
 H    8.31569386      -2.29479313       9.62929535    
 O    3.39178967      -3.22766423       10.1524496    
 H    4.14516068      -3.00385690       10.7111692    
 H    3.00751615      -2.38246250       9.87580490    
 O    2.39652443       1.04377801E-02   6.53704929    
 H    2.08321357      0.271367043       5.66275263    
 H    2.98371625      0.718615592       6.83731794    
 O    6.24131155      -3.43662572       7.54836035    
 H    5.43922567      -3.96914148       7.60659742    
 H    5.96402979      -2.51617146       7.69954538    
 O    3.49599290       3.06651211       4.88912535    
 H    2.82359695       2.45633554       4.55941486    
 H    3.55003119       2.91407776       5.84142208    
 O    3.68210769      -4.51739836       7.80527353    
 H    3.55103946      -4.10390615       8.67811203    
 H    3.19675660      -5.33731556       7.81462765    
 O    6.85245514      0.736479044       5.16785574    
 H    6.58142614       1.36222184       4.48396826    
 H    6.34248018      -7.33986422E-02   5.01966190    
 O    9.38563538     -0.905953884       8.85189629    
 H    10.3271923     -0.844551146       8.98873138    
 H    9.24336624     -0.921268284       7.88844156    
 O    3.38239145      -2.52449632       5.72531271    
 H    3.39328551      -3.17246151       6.43811893    
 H    3.02259374      -1.70436406       6.08766031    
 O    3.22144508       1.75050485       10.2962646    
 H    2.75425911       2.26500273       10.9486246    
 H    3.95917034       1.31122768       10.7589998    
 O    4.17730713      0.142955676       2.73998809    
 H    4.66109610     -0.556183875       3.20192170    
 H    4.74066734      0.924274862       2.77903914    
 O    5.26744604      0.421204805       11.4259224    
 H    5.31482124     -0.528120518       11.5893507    
 H    6.04717731      0.630927742       10.8908453    
 O    7.69439554      -3.31822109       5.26478767    
 H    7.99947739      -4.18212128       5.00213528    
 H    7.19409466      -3.43296766       6.09327888    
 O    7.26464510      0.775708854       9.57187462    
 H    8.05417347      0.252543002       9.38379192    
 H    7.14543724       1.39524019       8.84000874    
          69
 Energy    -248.37756316664502     
  O     11.82433934     10.48016599    -14.77418013
  H     11.94592579      9.57394179    -15.08732756
  H     19.34306130      7.40666920    -14.94886395
  O     15.28083221      6.14320090    -12.87523872
  H     12.58512564     10.99232809    -15.07242689
  H     16.83606542     10.65607191    -16.74374821
  O     17.48606406     10.18062150    -11.94225782
  H     16.17186935      6.43273967    -12.62991793
  H     15.77888049      9.56890314    -17.00574841
  O     18.67837703     10.70306801    -16.42495420
  H     14.68390215      6.42165351    -12.16442975
  H     13.90156156      8.47161004    -14.35490183
  O     12.36993853      7.72543253    -15.02632271
  H     16.70157135     10.62704877    -12.28877530
  H     15.06028572      7.84393643    -13.55243317
  O     14.82219578      9.88014881     -8.59010563
  H     17.50427896     10.30994859    -10.98574771
  H     11.22395316     10.40312812    -13.14573858
  O     13.66171460      7.29996367    -10.95273551
  H     19.31512035     11.28141292    -16.83662448
  H     10.12884373     10.74603088    -12.10647298
  O     15.12005345     11.11007406    -13.03455824
  H     18.95966411     10.59329868    -15.49922246
  H     17.57518539      7.26145796    -10.34535356
  O     14.90136308      7.00457342     -8.46564142
  H     12.84431468      6.93114409    -15.29481114
  H     17.57742791      8.34757988     -9.25283911
  O     18.59614720      7.83556444    -16.45427772
  H     11.92178552      7.52016355    -14.18898957
  H     12.02769267      7.22562593    -11.90893785
  O     14.22163217      5.53804113    -15.38349176
  H     14.73368511      8.93685140     -8.40781807
  H     11.03584112      8.32571995    -12.33171481
  O     19.74713584      7.29166104    -14.06952324
  H     14.27314386     10.05621013     -9.36715636
  H     19.72547637      9.22950083    -13.87859990
  O     15.89156861     10.51994096    -16.89654899
  H     13.99181147      7.09808070    -10.06838463
  H     18.84375383     10.27970929    -13.17789178
  O     14.79831827      8.63911494    -14.03192781
  H     13.64684238      8.26503171    -11.02612844
  H     17.53064096      8.35342585    -12.16366784
  O     10.93878462     10.25774607    -12.22508864
  H     15.04490549     10.20725943    -13.39208816
  H     18.40091168      7.25089785    -12.81625201
  O     17.41474234      7.40810713     -9.40425756
  H     14.82607353     11.67780244    -13.75425203
  H     17.85076356     10.84296088     -8.50198581
  O     11.30424810      7.41757497    -12.51982370
  H     14.89526828      6.38829517     -7.73871985
  H     16.49772706     10.20887164     -8.90876297
  O     19.48631830     10.16379076    -13.89112345
  H     15.82290204      7.06741699     -8.77640514
  H     15.60067375      8.16664514    -15.62260900
  O     17.65263451      7.39463524    -12.22315670
  H     17.64539989      7.67096737    -16.51610096
  H     15.31702686      6.87124478    -16.37324399
  O     17.44103301     10.27062837     -9.14470545
  H     18.70145387      8.78465972    -16.59334359
  H     14.02696758     10.55649336    -11.66540100
  O     15.80420821      7.69830058    -16.44661384
  H     14.60782579      5.64575664    -14.49778884
  H     12.55100096     10.22556555    -11.32911550
  O     13.45921018     10.11451781    -11.01999633
  H     14.07973330      4.60266647    -15.50533613
  H     13.99795357     12.85694988    -15.99316561
  O     14.11753250     12.04235511    -15.51210265
  H     20.52900744      6.76058771    -14.19248982
  H     14.73902286     11.50254278    -16.03260593
          69
 Energy    -248.37739935968506     
  O     -3.47315899      6.34313198    -10.48587643
  H     -3.72693933      7.26565369    -10.64552848
  H     -8.32292728      6.28708721     -6.78737463
  O     -7.64138693      9.95549753     -9.01471331
  H     -3.65397052      5.89490139    -11.31953499
  H     -6.52733434      7.48426683     -5.39455313
  O     -4.65655803      8.76887754    -11.19996467
  H     -8.09568291      9.96079735     -8.16421648
  H     -7.18263704      8.85755579     -5.63051144
  O     -7.54931202      9.08950396    -13.69628524
  H     -7.52971439      9.02052304     -9.24674748
  H     -6.05057980      5.75779730     -6.80060002
  O     -0.99652794      9.31957385    -12.31783611
  H     -5.41571225      8.19558082    -11.37086288
  H     -6.38643432      4.86257557     -5.58867104
  O     -4.26109602      5.73543492    -13.16154718
  H     -4.45755249      9.17951109    -12.04805354
  H     -1.73191963      7.09025386    -10.18155843
  O     -2.57285194     11.55165559    -11.52412648
  H     -8.30030235      9.23339465    -14.26513165
  H     -1.15402945      8.22615113     -9.30060579
  O     -8.82632174      9.40662131     -6.50796258
  H     -7.61169429      9.74075927    -12.97217634
  H     -2.64214885     12.53322013     -8.11744470
  O     -4.92246895     10.41932867     -9.00654448
  H     -0.09075697      9.44346999    -12.59003734
  H     -3.46292113     11.39354986     -8.76612838
  O     -7.48523560     10.89359158    -11.69628737
  H     -0.97344416      8.75505293    -11.52339102
  H     -3.51796184      8.63569083    -14.11896839
  O     -1.58435149      9.21290849     -7.85932639
  H     -4.08067532      5.01450764    -13.75841084
  H     -2.17285425      8.34621047    -13.42724476
  O     -8.95478692      6.80521252     -7.30160276
  H     -3.73169208      6.49405770    -13.46964281
  H     -6.99101491      7.57351844    -12.79738602
  O     -6.38097492      8.43388075     -5.30167222
  H     -2.41812046     11.66897240    -10.57858438
  H     -5.89494488      6.46925734    -12.58878413
  O     -6.66218859      5.64868917     -6.05332530
  H     -2.02242303     10.81244026    -11.80957607
  H     -5.00547093     13.16245356    -12.66330836
  O     -1.03498227      7.75427907    -10.13866448
  H     -9.60332725      9.69460943     -6.03624711
  H     -4.13636350     12.04155725    -12.05001576
  O     -2.57581547     11.79089602     -8.71290001
  H     -8.97928941      8.47782745     -6.76014302
  H     -5.74893517      9.58448547    -13.98003304
  O     -2.87973925      7.93133583    -13.93667596
  H     -5.88263534     10.41464717     -8.90491449
  H     -4.87257309     10.77656467    -13.53891566
  O     -6.61742382      6.94809328    -12.16217754
  H     -4.73779860      9.88414324     -9.79326358
  H     -4.65977282      7.11512586     -7.73056669
  O     -5.02413733     12.24726907    -12.39550864
  H     -7.60720723     10.67893800    -10.76326498
  H     -4.43977870      6.14597943     -8.92447266
  O     -4.83383256      9.88194791    -13.90037688
  H     -6.66540734     11.39730560    -11.77280798
  H     -4.46166385      9.30018211     -7.63056646
  O     -5.01568811      6.32784944     -8.17123839
  H     -2.37874658      8.92778655     -7.38890814
  H     -4.88651307      8.67162503     -6.27221368
  O     -4.20080097      8.65845263     -6.95573114
  H     -1.75188311     10.12886323     -8.10941287
  H     -7.20669180      7.00805414    -10.45931475
  O     -7.30675453      7.24028839     -9.52689577
  H     -8.55721488      6.87816092     -8.18080979
  H     -6.51677898      6.92341404     -9.06764344
          69
 Energy    -248.37739285054278     
  O     13.64667849     11.11255556     -8.52054263
  H     14.28416998     11.81140465     -8.75848826
  H     11.61112637     13.79319553    -13.17021917
  O     11.26483224     11.33255989    -15.48396170
  H     13.66685920     11.02907150     -7.57143959
  H     15.89027704     14.05805839    -16.36079985
  O     14.51934782      9.09064019    -10.38923753
  H     11.14518244     12.12415503    -14.93601949
  H     16.51654339     14.13435235    -17.77341235
  O     18.59047272     13.48712951    -13.00047823
  H     11.69110931     11.62218184    -16.29575647
  H     13.38290812     14.53486328    -11.31069991
  O     11.84786335     11.63275429    -10.57906082
  H     13.77277411      9.07472505    -11.00354785
  H     12.51759615     13.22063502    -11.23587554
  O     12.49300198      9.50904021    -12.27344297
  H     14.27219328      9.70195137     -9.68643131
  H     11.90542584     14.41119149    -15.23172543
  O     13.78042925     10.47247019    -14.60812809
  H     18.33029218     13.02576098    -13.81993033
  H     12.87464302     13.82678129    -16.28382442
  O     14.78109838     15.49964383    -10.56715219
  H     19.53566063     13.60336096    -13.03822036
  H     15.47462774     12.35163838    -12.59058226
  O     10.01626710      9.77741590    -13.43794782
  H     12.09623123     10.92403673    -11.19139290
  H     14.07327030     13.03721453    -12.68865226
  O     15.17197936     14.73968556    -14.87589470
  H     12.34577229     11.47435247     -9.76715832
  H     17.31581824     12.50555832    -15.93225590
  O     13.65316477     12.21275120    -16.95983831
  H     11.59400324      9.41532557    -12.62170980
  H     17.38672742     11.27401758    -14.99024316
  O     10.91903331     13.52606493    -13.79341489
  H     13.05223802      9.71765976    -13.03132521
  H     16.04043051      9.10885533    -11.21649903
  O     16.17410843     13.52501197    -17.12396223
  H     12.86487429     10.67025514    -14.84962918
  H     17.44582710      8.49193247    -11.40871014
  O     12.80254183     13.94654599    -11.80935271
  H     14.12946994     11.23779895    -14.11786505
  H     16.65601120      9.47806356    -13.58721331
  O     12.61211529     14.64698097    -15.84323661
  H     14.75353039     16.37374251    -10.18737276
  H     15.57532201      9.81152250    -14.63320270
  O     14.74790117     12.56096184    -13.19082328
  H     15.45381817     15.52348920    -11.27162006
  H     17.56208063     12.44248458    -11.90147291
  O     17.78242247     12.13883300    -15.17478629
  H     10.29546366     10.17532895    -14.27306957
  H     16.99249304     11.02693634    -11.52924740
  O     16.87881191      9.19928303    -11.70436225
  H      9.62586978     10.49648640    -12.92662559
  H     10.19282293     11.96228269    -11.27972692
  O     16.52963112      9.75660421    -14.50222563
  H     15.12406152     13.94289964    -14.32568225
  H      8.68006920     12.27421447    -11.23545812
  O     16.85191623     11.97826521    -11.43947191
  H     14.26746805     14.90953556    -15.17814902
  H     17.33297603     14.90515713    -12.67376180
  O      9.40567427     12.10397476    -11.83116086
  H     13.87641982     11.55407660    -16.29203997
  H     16.11452375     15.44530796    -13.43843311
  O     16.58284598     15.50591451    -12.59424947
  H     14.49961827     12.60493361    -17.21089910
  H     15.18516034     13.90007882     -9.62810716
  O     15.36699997     12.99896727     -9.33974491
  H     10.21963779     13.15749015    -13.24075904
  H     15.95699595     12.62317545    -10.00919628
          69
 Energy    -248.37732137604200     
  O     17.31797540      9.44866022    -14.20197235
  H     17.28270208     10.39500109    -14.02916831
  H     10.70915761      9.97613690    -11.64773321
  O     13.87589948      7.04428455     -9.31559705
  H     16.67869041      9.07524289    -13.57150111
  H     20.48652292      4.26500365    -11.15446975
  O     12.27976065      6.78754389    -11.66506208
  H     14.69381444      6.78598156     -9.77405590
  H     19.36159405      4.50093360    -12.19027609
  O     16.67134440      6.99774328    -15.37088072
  H     13.88147758      6.59760543     -8.47280792
  H     15.98465378      5.86491861    -11.64029205
  O     19.70448961      8.89536494    -12.96154606
  H     11.90976358      7.67181764    -11.77297415
  H     16.94408425      6.74711076    -10.78233222
  O     19.65056706     11.35295392    -11.79064725
  H     12.74524727      6.79720501    -10.82006794
  H     20.19379628      6.17191113    -14.57676806
  O     18.66496023      7.32579180    -10.85884166
  H     16.96630430      7.87990173    -15.11067886
  H     20.63500557      5.97309373    -13.11266055
  O     13.05117354      5.21376488    -13.72210342
  H     15.72853405      7.07283826    -15.58689043
  H     16.54467328     11.64425507    -12.02631686
  O     14.63163794     11.90817187    -14.27054726
  H     18.90734563      9.04062908    -13.49140860
  H     17.95560271     11.94458304    -12.53963548
  O     13.96090912      7.22673201    -15.56307245
  H     20.17934989      8.14232990    -13.34110777
  H     18.09039214      5.97617121    -15.69599270
  O     13.31131371      9.46747177    -14.00419342
  H     19.79500233     10.49058424    -12.21799945
  H     19.00489247      5.20604766    -16.67364051
  O     11.53200864      9.53542086    -11.83982236
  H     20.50286784     11.77802120    -11.73768192
  H     15.46047424      7.81839346    -11.95139811
  O     19.98795518      4.94874122    -11.59362884
  H     19.14908145      6.49571360    -10.95822150
  H     14.61426218      8.74448916    -12.92036666
  O     16.03642236      6.41787998    -10.84778332
  H     18.97695797      7.89429324    -11.57643498
  H     16.61001473     10.46475187    -10.14130357
  O     20.74500353      6.54872960    -13.87954526
  H     12.39196792      4.53888949    -13.85929996
  H     15.64683154      9.96937950    -11.24949011
  O     17.02940023     11.95303984    -12.80753458
  H     12.73860785      5.76652331    -12.98349123
  H     14.86983883      5.09298657    -13.46136044
  O     18.88432704      5.41774531    -15.75139866
  H     14.51364034     12.68722451    -14.80958027
  H     16.12378716      5.85747337    -13.96263776
  O     15.44371673      8.65052904    -12.43414777
  H     15.46240115     12.04370479    -13.79155418
  H     18.81543257     10.45062876    -10.25560100
  O     15.80491611     10.69669213    -10.62729713
  H     13.66878061      8.05007194    -15.14749688
  H     18.44543544      9.00053864     -9.88155805
  O     15.81617839      5.21313144    -13.31041721
  H     13.55296209      6.51850217    -15.05117145
  H     14.11603363     10.27157232     -9.96388889
  O     18.27060110      9.92305463     -9.65869452
  H     13.72722038     10.33226875    -14.13674345
  H     13.50830110      8.92358045     -9.51819605
  O     13.27846437      9.81778266     -9.79913402
  H     12.61247720      9.57409562    -13.34671660
  H     17.36326136      4.17584254    -13.30907572
  O     18.28071500      3.89152822    -13.41673028
  H     12.13160796      9.71984372    -11.09353372
  H     18.55295509      4.24750789    -14.27212572
          69
 Energy    -248.37728396264944     
  O     11.69867967      9.59334918    -15.58493177
  H     11.12801298      9.93217149    -16.27022969
  H     20.06970511      7.88280061    -14.70538991
  O     15.98604015      6.58536073    -12.28927317
  H     12.41017135     10.25025192    -15.46801609
  H     15.46451520      7.75922586    -13.58214638
  O     17.30084726     10.83932220    -11.76931932
  H     15.93029684      5.84392784    -12.90973850
  H     14.58276756      8.00108116    -14.85035654
  O     16.19249863     10.30031898    -16.01654656
  H     15.21166664      6.58495335    -11.71291401
  H      9.98268125      8.89040320    -12.96330823
  O     13.01242661      5.00816955    -15.04398018
  H     17.18178461     11.08289518    -10.84307858
  H     11.18074196      9.05450374    -13.92300039
  O     14.30587444      9.96289086     -8.68129627
  H     17.57523097      9.91019304    -11.76961092
  H     17.44194720      9.33751534     -8.95572699
  O     13.78633200      6.87969981    -10.62790870
  H     16.98350744     10.67446747    -15.60520620
  H     17.92071825      8.24038805     -9.92704974
  O     14.68318543     10.65791225    -12.68904724
  H     15.88903922      9.62336398    -15.39198019
  H     11.65779574      6.97734729    -12.86525058
  O     17.61444642      6.38714836    -16.11037647
  H     12.51940066      4.21169835    -15.22121608
  H     12.66588987      6.23075204    -11.97106055
  O     15.23195059      7.26692029     -8.26346970
  H     12.68504278      5.36010183    -14.19575695
  H     18.69891718      9.95863373    -14.44201034
  O     15.81996583      4.87886308    -14.39493304
  H     14.51443320      9.05710016     -8.42106731
  H     18.07000364     11.03119345    -13.53237687
  O     19.17140946      8.05388292    -14.42909611
  H     13.68429971      9.89079708     -9.41683264
  H     18.62956252      8.10728029    -12.61251293
  O     15.15635009      8.42939880    -14.20386298
  H     13.48217499      7.78850467    -10.76938501
  H     17.37703747      7.56296210    -11.90233756
  O     10.92099284      8.73295436    -13.04572262
  H     14.23146343      6.87355877     -9.77111964
  H     15.83753731     10.79698028     -8.90279512
  O     17.58271575      8.38578386     -9.03367580
  H     15.56537941     10.86269272    -12.35448734
  H     16.86417136     11.83042798     -8.38379007
  O     12.12626774      6.14022131    -12.76733215
  H     14.79066138      9.86208553    -13.23486849
  H     16.10204226      8.88184512    -17.21819406
  O     18.37820259     10.86848631    -14.43316303
  H     18.04822734      5.80083605    -16.72637131
  H     15.03838275      7.76669992    -17.26017538
  O     18.13303219      8.16120510    -11.78858472
  H     17.03203152      6.95937649    -16.64107090
  H     13.49647533      9.97116585    -11.59089264
  O     16.74306025     11.13409152     -9.02362071
  H     16.10966895      7.59171916     -8.53425061
  H     12.10348528      9.30368185    -11.64569868
  O     15.94388465      7.97740523    -17.52492853
  H     15.35794015      6.77932758     -7.45407307
  H     14.53085733     11.15299723    -15.68752706
  O     12.84857818      9.47900083    -11.06145196
  H     14.91490535      4.87573081    -14.72838337
  H     13.94998286     11.36148341    -14.28772474
  O     13.70560553     11.34797968    -15.22298057
  H     16.36353793      5.35975379    -15.03113922
  H     13.20815397      6.59806203    -15.92372558
  O     13.48352541      7.46549745    -16.24957242
  H     18.60491868      7.49118802    -14.97803174
  H     12.77822564      8.09982649    -16.07555009
          69
 Energy    -248.37708002210286     
  O     18.99062437      9.81860815    -14.99151717
  H     19.28226551      8.89705861    -15.03715761
  H     20.46614700      6.94170833    -14.51570228
  O     21.86754877      6.78702116    -13.21598518
  H     18.13668539      9.84720550    -15.43696220
  H     15.44621489      9.62139752    -14.68868523
  O     16.41968263      8.21798425     -9.55482737
  H     22.77384026      7.06111444    -13.32870874
  H     15.80811700      9.48617222    -13.18315999
  O     13.24255939     10.63642686    -12.02854809
  H     21.47981176      7.37230732    -12.53924482
  H     17.52951914      7.48677217    -12.63410302
  O     16.41753486      9.50334307    -16.25200715
  H     15.95637865      7.44326890     -9.90726576
  H     18.04090710      6.08451445    -12.16844997
  O     11.84552922      8.13331287    -11.94848777
  H     15.72451475      8.86529151     -9.36511801
  H     14.38718099      7.88550722    -13.51659847
  O     18.67968563      5.18260109    -10.71556161
  H     13.87100687     10.34587631    -12.71043424
  H     14.55207586      6.37074513    -13.79767459
  O     14.74098994      6.29352891    -10.63177031
  H     12.94812858     11.50772455    -12.28245802
  H     18.12354775      7.81883363     -9.23245181
  O     20.93572535      4.38839495    -12.08453366
  H     16.20081367      9.84293185    -17.11622616
  H     19.30952501      7.60466810     -8.26667539
  O     16.18850763      3.88717594    -10.89503285
  H     16.64836582      8.56380155    -16.37291176
  H     13.52442726      9.00406474     -9.26975208
  O     15.71951369      2.88414896    -13.40002831
  H     12.45732872      7.62206613    -12.49687572
  H     13.87681953     10.12720386    -10.25620386
  O     19.60183154      7.07929503    -14.91772296
  H     12.15906632      9.04510535    -11.99922328
  H     20.18814472      8.13540737    -10.61504928
  O     15.06798815      9.59541628    -13.80157176
  H     18.90011419      5.89573497    -10.10619591
  H     20.33757353      9.21842885    -11.70931772
  O     17.75072985      6.59626034    -12.93420797
  H     19.50315282      4.85298844    -11.10463559
  H     19.64035164     11.57975484    -12.44467421
  O     14.06173040      7.01144675    -13.26503070
  H     13.95772905      6.53572451    -10.12194883
  H     19.30519567     10.41831569    -13.41707199
  O     19.05646737      7.55010413     -9.18532171
  H     14.54953323      6.51773238    -11.55348187
  H     15.78614393      4.44493985    -14.28034776
  O     14.14344294      9.73103391     -9.41798667
  H     20.93505714      3.70008077    -12.74693985
  H     16.53252331      5.76657133    -13.96027995
  O     20.72304994      8.40014502    -11.37211367
  H     21.31515386      5.17022522    -12.51186236
  H     18.09750388      6.85979134    -16.13815521
  O     19.41556861     10.65437514    -12.47655573
  H     17.08828503      4.20788566    -10.75164843
  H     16.66910846      6.29855940    -15.94777140
  O     15.87395541      5.36952615    -14.55166171
  H     15.61665899      4.64983079    -10.73721288
  H     12.11419863      7.63454745    -10.29652910
  O     17.19224284      6.92628378    -16.46622953
  H     15.27292858      2.04481968    -13.33474537
  H     11.70222187      7.07800790     -8.91124097
  O     12.44568597      7.40654945     -9.40877056
  H     15.88453140      3.17173091    -12.48532484
  H     17.87677110      9.73871431    -12.07666973
  O     17.09937460      9.16762774    -12.05319173
  H     18.95916742      6.86909364    -14.22121807
  H     16.88906810      8.95258317    -11.13532825
          69
 Energy    -248.37702894423231     
  O     17.48916757     10.16119955    -10.15288450
  H     17.99310550     10.77906612     -9.60796141
  H     12.22076690      9.59888234     -4.91425728
  O     18.87370806     11.76014656     -8.31484565
  H     18.03587026      9.38024161    -10.31541977
  H     16.81124330      5.35309778    -11.42963190
  O     12.33797649      7.88015597     -7.53218043
  H     19.32014567     11.03127737     -7.84523720
  H     17.37783622      5.92051725    -12.74942156
  O     15.12450093     10.18083934    -11.61492073
  H     19.49277691     12.48377053     -8.36015989
  H     14.09481184      7.09752443     -9.89838752
  O     18.77138485      7.73201047    -10.60461704
  H     13.03050491      7.33583644     -7.92779274
  H     14.96126481      7.59778992     -8.72133096
  O     20.65679104      7.43241738     -8.62611161
  H     11.90642226      8.32001391     -8.27522599
  H     18.97677180      7.48017499    -14.12634758
  O     17.00488322      5.81754180     -9.62612570
  H     14.50019298     10.69061675    -11.07632407
  H     17.62636732      7.95289423    -13.53729972
  O     11.42385901      9.08006269     -9.94429104
  H     15.98200529     10.24448476    -11.17308866
  H     15.73052456      9.31555226    -13.16130402
  O     16.84303024     11.57349200     -6.27015184
  H     18.11888669      7.09878285    -10.26819439
  H     15.42989165      7.95790259    -13.83450658
  O     13.31360203     11.27094782     -9.85489018
  H     18.76838943      7.66051017    -11.56796984
  H     15.22329610      9.75267092     -7.94251590
  O     14.29026117     11.14608525     -7.20942493
  H     20.06888185      7.55562193     -9.39049954
  H     16.37882904      9.43330460     -8.93253438
  O     13.01410918      9.36470575     -5.38911934
  H     21.45512423      7.02573483     -8.95282221
  H     20.25690641      8.89798403     -7.52729255
  O     16.68765193      5.35148462    -12.38842425
  H     17.47236729      5.78694499     -8.77877663
  H     19.10308536      9.24198678     -6.55856273
  O     14.48022720      6.82228390     -9.05577871
  H     16.08769864      6.04986087     -9.42640798
  H     15.08872032      7.56620155     -3.68138351
  O     18.43563678      7.44592632    -13.34253021
  H     10.59443942      9.09569223    -10.41540065
  H     14.54223731      8.65018449     -4.62212148
  O     16.07090937      8.67832190    -13.80365262
  H     12.06605416      8.63768560    -10.52571714
  H     14.06878372      8.70863651    -11.47162408
  O     15.81660514      9.05268112     -8.24553133
  H     17.48598505     11.78188137     -6.95923902
  H     13.66563426      7.36039840    -12.13850529
  O     19.86559454      9.61883717     -7.01889804
  H     17.08991271     10.69996247     -5.94949854
  H     18.07247248      6.90642731     -6.74836711
  O     15.35929065      8.26727042     -4.27018820
  H     13.61466007     11.36420144     -8.94113058
  H     19.27955008      6.50404585     -7.61061229
  O     13.46057342      7.95651970    -11.40801980
  H     12.57361610     10.65378501     -9.82585252
  H     16.88680268      8.73599839     -6.85325997
  O     18.42559082      6.19032264     -7.28899551
  H     13.81835316     10.66148942     -6.52174416
  H     16.79352990      8.45054417     -5.33162889
  O     17.41857680      8.62368130     -6.04958191
  H     15.12888687     11.45032205     -6.82942178
  H     14.04430339      5.72989663    -14.09858687
  O     14.40829929      6.34530788    -13.46838827
  H     12.74159134      8.79410418     -6.13119192
  H     15.18524391      5.91349261    -13.06924324
          69
 Energy    -248.37666522435597     
  O     15.26361380     10.18695924    -10.85976228
  H     15.07068835     10.67892520    -11.66830002
  H     17.41313828      4.53208705    -10.61890376
  O     13.58948019      9.50747325    -16.35881909
  H     16.14903621     10.41715861    -10.55097965
  H     13.97824189      9.51589302     -9.76393103
  O     16.97452818     10.14864630    -14.43673672
  H     13.78154064     10.45302229    -16.35773850
  H     12.63968676      8.75952112     -9.86995822
  O     12.42110260      5.88023182    -11.85994466
  H     13.06995157      9.35649890    -15.55972321
  H     18.36159686      5.93567758    -15.99385485
  O     17.55143836      7.93796215     -8.75852478
  H     17.66808688     10.08201632    -13.76490035
  H     17.13922597      6.77287232    -15.56151352
  O     16.94589700     12.04340431    -16.43534997
  H     16.16498440     10.44646470    -14.00033792
  H     15.22229488     12.29151370    -16.20085293
  O     15.67886654      7.55596762    -11.74640560
  H     13.08793035      5.68060457    -11.18480803
  H     13.89400865     13.07646060    -16.31674861
  O     14.55092349     11.08374114    -13.38698009
  H     12.90052152      5.93054670    -12.69357980
  H     13.19018452      8.17911172    -13.75026725
  O     18.26047084      7.06164424    -12.59003640
  H     16.69072920      7.66955128     -8.41480662
  H     12.16891052      8.90729172    -12.85483207
  O     18.82383596      9.79994836    -12.46941593
  H     17.95121566      7.16079042     -9.16651954
  H     10.44591653      8.25110875    -11.08016912
  O     16.15708632      4.43665765    -13.60624980
  H     17.78774244     12.20101883    -16.85334908
  H     11.68289389      7.39068995    -11.43340623
  O     16.61068824      4.05116082    -10.85023537
  H     17.10024113     11.36382680    -15.75840780
  H     14.32113939      7.89142742     -8.30742804
  O     13.35636354      8.97047864     -9.26117852
  H     15.30987336      6.92727125    -11.11045241
  H     14.63509451      7.19815415     -6.95856290
  O     17.81464936      6.15165894    -15.24258134
  H     15.52035941      8.44911448    -11.41803002
  H     15.23442595      4.96155364    -10.26178665
  O     14.28446944     12.29200158    -15.94087881
  H     14.40567294     11.65231135    -14.15258168
  H     14.66386948      6.00757482     -9.23024407
  O     12.71689837      9.01482396    -13.64193071
  H     13.89193220     10.37516046    -13.44817707
  H     18.72820032      6.23348930    -11.09640950
  O     11.38328296      8.30001234    -11.24929994
  H     17.34584791      7.22720678    -12.30865750
  H     19.72164932      5.55767783    -10.12237792
  O     14.92051277      7.26157518     -7.86597036
  H     18.22136010      6.73129025    -13.49445996
  H     14.77373671      7.03349774    -14.67927490
  O     14.53453928      5.61411451    -10.10037290
  H     18.58549801     10.06125151    -11.57192831
  H     14.78563764      6.98483323    -13.13567873
  O     18.80775612      5.81296284    -10.22308410
  H     18.78395155      8.83350331    -12.48463178
  H     17.78668902      9.51182995     -9.42943632
  O     14.29676635      6.67759135    -13.91839740
  H     15.36717814      4.97403648    -13.72872370
  H     18.25914854     10.96926985     -9.20734860
  O     17.86487124     10.38733826     -9.85132560
  H     16.80850043      4.83674199    -14.19339026
  H     15.09460992      8.45970846    -16.20481867
  O     15.86737370      8.02353334    -15.81861023
  H     16.52326996      4.09396942    -11.81405437
  H     16.33513959      8.71844599    -15.33066753
          69
 Energy    -248.37665446738620     
  O     14.31179007      6.00912164    -13.18014036
  H     14.31899905      5.65189296    -14.08073469
  H     19.02525930      4.37703446    -11.20289000
  O     16.33156252      8.06533021     -9.68870294
  H     13.46150673      6.43712936    -13.00970314
  H     15.18349729      7.50635053    -13.57166210
  O     18.37387864      8.68867203    -13.37171717
  H     16.10465222      7.22678035    -10.11847266
  H     15.69914459      8.40821740    -14.74643839
  O     13.35625816      7.48081624    -17.24135459
  H     15.73597105      8.15757348     -8.93518852
  H     14.24262354     10.94638770    -14.92578600
  O     12.19404566      9.05064076     -9.20802529
  H     18.36821126      9.65166646    -13.41164971
  H     14.11840846      9.65840283    -14.13177403
  O     12.08349145      7.52942615    -12.53523078
  H     17.44750150      8.43488993    -13.48906255
  H     13.89840712      6.41637390     -8.47914270
  O     15.81252864     10.00486863    -11.57028464
  H     12.74983367      7.79230044    -16.54570135
  H     14.35771481      5.50811570     -9.63864358
  O     17.23399523      5.99084251    -16.58173095
  H     12.86246599      7.48460829    -18.05683590
  H     11.74171399      8.01232331    -14.36030594
  O     11.24801681      6.48022123    -10.09051763
  H     11.72340776      8.25039365     -9.47249821
  H     12.29542608      9.26777902    -15.05402303
  O     18.59815958      6.03790801    -14.25754438
  H     12.37077332      9.53999642    -10.02158530
  H     18.11284057      7.83310573    -10.27076963
  O     14.55228714      5.32298459    -15.80663847
  H     11.68159305      7.10278543    -11.76738708
  H     18.80216062      8.05220202    -11.63518286
  O     18.41970874      5.00598629    -11.58669351
  H     12.40738695      8.38701200    -12.22822235
  H     15.23825131      5.67363400    -11.71311401
  O     15.58105613      8.36075889    -13.78675103
  H     15.70750682      9.43170707    -12.34557420
  H     16.61384392      5.26221513    -11.11479634
  O     13.60553507     10.42544035    -14.41844117
  H     16.04755723      9.41766687    -10.83797929
  H     14.23259921      8.43734586     -6.84307281
  O     13.61844074      5.68395030     -9.04151567
  H     17.74296045      5.95201468    -15.75237800
  H     13.55709494      8.55549684     -8.23046324
  O     11.84030710      8.43080180    -15.22406344
  H     17.76349296      5.55924120    -17.24697950
  H     16.52890835     11.33262291    -14.96214008
  O     18.87313731      7.56516757    -10.80368500
  H     12.07325181      6.11117827     -9.72686229
  H     16.06004232     10.41067451    -16.11271160
  O     15.74435902      5.61232481    -10.88891212
  H     10.53666527      5.92669421     -9.78052545
  H     12.97279933     10.45903027    -12.60162330
  O     14.31236605      8.16686082     -7.75367298
  H     18.51758779      5.55905781    -13.42481548
  H     13.96531818     10.14006429    -11.48496899
  O     15.90449288     11.26694124    -15.69434182
  H     18.74849813      6.96175502    -14.01752440
  H     17.87260330     12.23463952    -12.93534214
  O     13.02565487     10.09056257    -11.71069535
  H     15.47437229      5.41336457    -16.07743390
  H     16.93764037     11.06041771    -12.57324987
  O     17.53949396     11.39975567    -13.25606640
  H     14.06216593      5.95152459    -16.35140252
  H     16.45916277      7.69559495    -16.63946736
  O     15.89976362      8.47473133    -16.51975939
  H     18.67596473      5.88481965    -11.25174487
  H     15.02484213      8.23171806    -16.85378178
          69
 Energy    -248.37657244730599     
  O     17.78056830     10.06963739    -10.66535056
  H     17.84216702     10.98994931    -10.38576467
  H     14.32736297     10.84378034     -9.23984387
  O     14.33404185      4.68404963     -8.29152178
  H     17.22731785      9.59811517    -10.02351609
  H     12.83204763      9.08917729     -8.52609754
  O     17.91957015     12.64071344     -9.60276855
  H     15.02135237      5.06941470     -8.86276652
  H     11.58608146      8.91947849     -7.62823531
  O     12.43722426      6.26025629     -9.77005048
  H     14.47606594      3.74128680     -8.28486747
  H     18.85012100      5.19839996    -11.55109894
  O     16.68848294      8.89420732    -12.88394827
  H     18.33688333     13.46824450     -9.82274304
  H     18.93586843      5.99040330    -12.86922868
  O     19.84380039      8.26818706    -10.71287215
  H     18.37838341     12.29049458     -8.81499699
  H     15.99711745      5.97230564    -10.82927641
  O     20.15038142      9.02691203     -7.95490259
  H     12.97195463      5.61924549     -9.28768933
  H     16.07795582      6.91121435     -9.59198095
  O     18.88824985      5.87688556     -9.59404110
  H     12.29924389      6.99183594     -9.15671696
  H     18.33592700      8.21006725    -13.40202190
  O     13.35115264      7.11926936    -12.23965540
  H     15.77909040      9.21584740    -12.88719225
  H     19.55746787      8.05395085    -14.33058693
  O     15.40819247     11.96491318     -8.42055756
  H     17.10725491      9.34593598    -12.13464326
  H     16.59997547      9.93984461     -6.04979060
  O     13.99059477      9.70754602    -12.40583232
  H     19.90010505      8.09015194    -11.65766253
  H     16.36684320     11.13752853     -5.10275664
  O     13.84773048     10.07323508     -9.58553600
  H     19.17354343      8.96526472    -10.63361891
  H     15.30065391      9.05795524     -9.19119608
  O     12.36646160      8.46830989     -7.94078209
  H     19.79788365      8.24543931     -7.51538471
  H     16.30756150      8.52523812     -8.11247436
  O     18.58683053      5.17920761    -12.47740831
  H     20.26936679      8.77589085     -8.87858810
  H     19.44736523     10.65593271     -7.58189240
  O     16.12918882      5.98505405     -9.87207035
  H     17.92538013      5.86504477     -9.70344085
  H     18.24893860     11.30928564     -6.84261520
  O     19.21509663      7.80572554    -13.47495610
  H     19.21600402      6.70306479     -9.97937903
  H     13.59543936      7.44300367     -6.90788341
  O     16.57283749     10.91054519     -6.00628315
  H     14.12533546      6.58619481    -12.45499620
  H     14.27189766      6.06220798     -7.00080423
  O     16.13739513      8.59284121     -9.06037895
  H     12.98855430      6.77426860    -11.41050071
  H     16.21956221      7.07428374    -12.74030354
  O     18.98692870     11.49524351     -7.43448106
  H     15.73092204     11.65078341     -7.56644133
  H     16.82042921      5.64947434    -12.68906645
  O     14.28037387      6.89240676     -6.50809063
  H     16.18252970     12.31283523     -8.87894058
  H     18.92472258      6.25817154     -7.83792481
  O     15.98953379      6.14201376    -12.62423318
  H     13.41574803     10.14877082    -13.02588683
  H     19.40622514      5.99695522     -6.39452241
  O     18.90688932      6.60778252     -6.93162069
  H     13.69072243      8.77922214    -12.35683252
  H     17.39523943      7.60872013     -6.45429751
  O     16.64397891      8.20539445     -6.35320094
  H     13.89313216     10.06918809    -10.54900120
  H     15.82681548      7.68287711     -6.29824434
          69
 Energy    -248.37649972167827     
  O    -12.38072521      7.74816976     -0.95040519
  H    -12.61068709      6.81211692     -0.87447150
  H    -11.59362156      5.61344967      2.61972221
  O     -4.61717683      9.64172347      2.86409764
  H    -11.87063679      7.87395091     -1.76136631
  H    -10.54767238      9.20782228      3.58534408
  O     -6.74567011      9.75292416     -0.55029730
  H     -5.07288151     10.34763132      2.38307055
  H     -9.18092210      8.67628648      4.07687720
  O     -6.00962544     11.67029130      1.44466883
  H     -4.30149783     10.04119358      3.67220321
  H     -8.90317602      6.41969635      3.86868654
  O     -6.35793999      7.25204418     -1.66652240
  H     -7.32192251      9.37199037      0.13678807
  H     -7.52274876      7.08156785      3.97470534
  O    -10.26422199      3.98983178     -0.99316662
  H     -6.30102049     10.47943539     -0.10355273
  H    -12.39548551      7.62773867      2.98269725
  O     -8.25708863      8.69496853      1.38460578
  H     -6.91158421     11.68721125      1.81275499
  H    -12.94546178      8.64317181      4.00506909
  O    -10.56157635      8.28846410     -3.06208651
  H     -5.72991396     12.57952726      1.37748575
  H     -9.29243552      4.57777264      2.21838534
  O     -9.97900257      6.96918289      0.30569882
  H     -5.56281720      7.22592717     -2.19419743
  H     -9.85386109      5.94264798      1.80462124
  O     -9.23915436     10.26268881     -1.79301693
  H     -6.41781460      8.15075046     -1.30376148
  H    -11.85175736      4.63356443     -0.56037199
  O    -12.31261722      9.89832753      0.82208448
  H     -9.77701082      4.59263700     -1.57026587
  H    -13.37246270      4.36947222     -0.59386593
  O    -12.46523760      5.97221597      2.39812330
  H     -9.63868286      3.72435110     -0.30712627
  H    -10.93592296     12.58304469      0.09816855
  O     -9.62184316      9.45318631      3.69715878
  H     -8.71323514      9.08616676      2.13892114
  H    -11.14613542     11.10488458      0.49529149
  O     -8.40205077      7.07397947      4.37385896
  H     -8.88290923      8.08818300      0.96483141
  H     -5.52468551      8.03411752      2.74564228
  O    -12.31683996      8.54620167      3.29372784
  H    -10.76059360      8.58290207     -3.94679443
  H     -6.93221866      7.77423788      2.18194750
  O     -9.76836521      5.34242257      2.56173625
  H    -10.09095363      9.02018754     -2.62082858
  H     -9.20247018     11.77616783      1.67473724
  O    -12.72030766      5.02545782     -0.36142446
  H    -10.83433548      7.32228963      0.03672266
  H     -8.91880937     11.08945984      3.02439678
  O    -10.46877344     11.76945480      0.27160864
  H     -9.58278145      6.57103826     -0.47957275
  H     -6.38319678      6.00311688     -0.16867805
  O     -6.18118081      7.33827013      2.61449918
  H     -8.32881210     10.14866279     -1.49497652
  H     -6.27303089      6.00536504      1.36748761
  O     -8.56439809     11.73509512      2.39915950
  H     -9.66782970     10.80463631     -1.11862073
  H     -7.62193432      4.16197325      0.85331791
  O     -6.48166303      5.44307168      0.60747693
  H    -12.37548846      9.48356513      1.69100409
  H     -7.83525993      2.67663037      1.22505410
  O     -8.30106211      3.48302220      1.02110887
  H    -12.46716648      9.19778531      0.17473939
  H     -9.45612737      6.86207348     -2.60010776
  O     -8.92761581      6.17083783     -2.17851188
  H    -12.65432883      5.65228198      1.50960943
  H     -8.02686176      6.50897606     -2.09687131
          69
 Energy    -248.37629498538877     
  O      1.22233819      1.46894474     -5.66532661
  H      1.05461448      0.56374057     -5.91242705
  H      3.70227810      6.87171808     -2.26711495
  O      0.83744128      7.95127802     -7.03725792
  H      1.96339776      1.78049986     -6.21660643
  H      6.38206883      7.37083406     -6.24658273
  O      3.19933877      9.98583039     -3.40455606
  H      0.93285132      7.78352276     -6.08995270
  H      5.57303085      8.55734550     -5.59270942
  O      3.64048310      6.12026607     -5.74416902
  H      0.47751697      7.13866215     -7.41225054
  H      5.82839795      5.86719880     -2.57323728
  O      7.18754063      4.49486092     -5.44637561
  H      2.59363756     10.59202192     -2.98355676
  H      4.81447564      4.89467050     -3.18777952
  O      3.33273597      2.50416042     -7.00305907
  H      3.19807651      9.18829061     -2.85514406
  H      7.69844560      6.50549723     -8.27450554
  O     -0.36530721      3.83095723     -5.82072857
  H      4.38615104      6.72291419     -5.63220137
  H      6.15818981      6.53458255     -8.17813593
  O      0.00264210      5.40136762     -7.99718893
  H      2.86336455      6.50889956     -5.32309931
  H      4.16244129      7.72887983     -8.69544196
  O      0.47864860      4.75000058     -3.28134531
  H      7.14918788      5.02605139     -6.25185456
  H      4.02536216      6.20815571     -8.88862103
  O      3.11636860      3.91943148     -0.94980686
  H      7.42995901      5.10324067     -4.73761443
  H      4.20999786      4.59399088     -5.13496078
  O      7.34160808      6.55828272     -3.39558313
  H      3.95293934      2.78827165     -6.32300040
  H      5.57969928      3.87486886     -4.98358438
  O      2.98162406      7.50371652     -2.13864989
  H      3.15514062      3.29044866     -7.53802235
  H      1.85809685      5.09892931     -0.69413450
  O      5.97679596      7.69067766     -5.43023035
  H      0.08513266      2.97712890     -5.81429140
  H      0.75791034      5.81601407      0.12712604
  O      4.94914206      5.49040528     -2.44046688
  H     -0.27340473      4.18175155     -4.92643559
  H      3.24043061      3.02367707     -3.87780009
  O      6.97298793      6.36401963     -7.67183397
  H     -0.70641713      5.23275794     -8.61197370
  H      1.97550019      2.16017890     -4.07384795
  O      4.65696550      6.93766332     -8.94308744
  H     -0.16790148      4.84600211     -7.21562246
  H      1.91387582      7.42925946     -3.69074996
  O      4.63993741      3.80842152     -4.75746749
  H      1.16352562      4.06690436     -3.32833143
  H      0.99195397      6.27835455     -4.13422934
  O      1.18545270      5.80416975     -0.72480729
  H      0.51998147      5.11032990     -2.38773552
  H      3.07408361      5.45212267     -7.33460203
  O      2.42865429      2.72995209     -3.44006642
  H      2.87189585      3.32066439     -1.66780458
  H      1.83789433      5.12952260     -8.21243201
  O      1.40465032      7.09757022     -4.44029517
  H      3.87349920      4.42265610     -1.27824099
  H      2.71769169      9.79958429     -8.73471320
  O      2.79286827      5.00563501     -8.14902295
  H      6.85511906      7.05432639     -4.07984657
  H      2.22229662      8.72442936     -7.74263476
  O      3.01995016      9.14253316     -8.11233950
  H      8.04404918      7.12532747     -3.08939126
  H      4.03668467     10.01943285     -5.04991779
  O      4.57318992      9.92897508     -5.85027498
  H      2.33795749      7.06517456     -1.56823532
  H      3.97855818      9.74333321     -6.58719145
          69
 Energy    -248.37620658404040     
  O     15.89296817     10.42948703    -14.69945969
  H     15.53331800     11.31904277    -14.80550076
  H     18.61376280     11.98479505     -8.28853340
  O     17.10997991     14.37780535    -15.87463578
  H     16.66069845     10.38683773    -15.28267169
  H     21.28499523     17.22139184    -12.72334314
  O     20.53477563      9.04970548    -15.01703177
  H     17.65217908     13.92858199    -16.53313289
  H     21.04505698     18.54074888    -13.49647384
  O     20.43086849     14.13212285    -10.49051282
  H     17.71041031     14.96972845    -15.40410266
  H     22.10781655     12.25488899    -12.68828164
  O     16.66915204     12.65866582    -10.81324293
  H     20.19678269      8.94173825    -14.10706547
  H     23.01310043     13.30325615    -11.99562527
  O     20.80798270     10.52614707    -10.60455971
  H     20.93309090      8.21911668    -15.25998059
  H     16.84895559     10.94833808    -11.67146678
  O     18.47027827     10.75642104    -15.93210695
  H     21.08650414     13.59125208    -10.95667370
  H     16.57036549     10.21588906    -13.02345476
  O     20.94743975     13.90589546    -15.80325406
  H     19.95909796     13.54150512     -9.89122485
  H     18.88219718     12.71491274    -18.47825493
  O     21.88731082     16.39132909    -11.31423061
  H     15.75804605     12.68658049    -11.13701338
  H     18.76113392     12.07393921    -17.07410495
  O     21.36858299     11.64901424    -14.22633744
  H     17.13831966     13.36372283    -11.28400853
  H     22.28106640     15.10488463    -15.25706457
  O     14.27394142     12.63756566    -12.15591821
  H     21.45510711     11.17350143    -10.90894212
  H     22.28162072     16.44765234    -14.49752496
  O     18.85567378     12.17591684     -9.19170208
  H     20.15204415     11.01896866    -10.09842875
  H     19.71788662     16.44233901    -14.22249202
  O     21.01420872     17.59203793    -13.58291447
  H     19.13277834     10.07132496    -15.77634933
  H     19.80654033     15.05769049    -14.90868543
  O     22.34683161     12.62560940    -11.82663002
  H     18.48626443     11.31370887    -15.13666705
  H     23.64874575     15.10421207    -13.33883241
  O     17.11728760     10.20372650    -12.22251159
  H     20.35934815     13.61856963    -16.51161336
  H     24.93532405     14.95307013    -12.49202465
  O     18.93247310     12.90757475    -17.54561116
  H     21.18382582     13.11273491    -15.30140130
  H     20.09248702      9.39209539    -11.83130518
  O     22.84918529     15.71624380    -14.77021111
  H     22.68985236     15.92422906    -11.57856770
  H     18.66547771      9.15406926    -12.35647366
  O     19.19120198     15.68155066    -14.49735922
  H     21.33132820     15.72851373    -10.88409655
  H     18.32558168     11.37318544    -13.01121665
  O     23.99170703     14.81828974    -12.47307689
  H     21.34391066     10.74838798    -14.56725329
  H     18.56755789     12.90631528    -13.12411549
  O     19.58878289      8.91570284    -12.50762983
  H     20.47493270     11.80916632    -13.87736144
  H     15.72282657     13.59393291    -15.17045040
  O     18.77860999     12.05539743    -13.52359928
  H     13.64415363     11.92218095    -12.22076648
  H     14.22289020     13.38679872    -15.44519100
  O     14.92936288     13.12510099    -14.85902579
  H     14.50374259     12.86919086    -13.06810736
  H     18.51444145     14.98364986    -12.96498862
  O     18.27938394     14.44436306    -12.19886914
  H     18.02542565     12.29176791     -9.68201331
  H     19.04873516     14.43576030    -11.61038022
          69
 Energy    -248.37618804663566     
  O     17.45125719      9.23537852    -13.55556451
  H     16.65579378      9.13636797    -13.00820813
  H     11.42375932      8.89359875    -12.22403526
  O     12.97410336      7.52144801     -9.75358544
  H     17.34787758      8.56110339    -14.23789777
  H     19.66559422      5.45708566    -11.42880255
  O     11.38244873      7.01978230    -12.05847956
  H     12.37380581      7.29204751    -10.47620483
  H     18.52589033      5.73521373    -10.42474076
  O     16.65090291      7.03883575    -15.09036515
  H     12.89611478      8.47557293     -9.64138898
  H     16.08092431      6.81169657    -10.41199138
  O     19.44172367      8.57489996    -11.79293952
  H     10.60529864      6.47010533    -12.11578153
  H     14.50370514      6.78417925    -10.29683139
  O     19.12881890     10.98446633    -10.43394093
  H     11.98051181      6.72940375    -12.76996294
  H     20.17665002      6.06103742    -13.49728171
  O     17.72862365      7.43691440     -9.90044957
  H     15.88319841      7.39037470    -15.55680078
  H     21.65180661      6.11560722    -13.02960397
  O     13.09031109      6.26537588    -14.02127536
  H     16.29211756      6.44298696    -14.41499814
  H     17.30913318     10.99397261    -12.86265363
  O     14.91241123     12.37611412    -14.05365788
  H     18.80325188      8.79481737    -12.48835489
  H     16.53620638     11.56119369    -11.62907400
  O     14.15707416      8.04916921    -16.00744675
  H     20.01138919      7.87612716    -12.13515270
  H     18.26323845      6.04755542    -14.95849329
  O     13.53564541      9.98440385    -14.21232747
  H     18.62157728     11.48238845    -11.08456867
  H     18.57434153      4.74660295    -14.18736674
  O     11.61501590      9.83786719    -12.29886802
  H     19.42314398     10.18231676    -10.89046509
  H     14.48012786      9.15453732    -12.83854333
  O     18.95011789      5.03579147    -10.93510943
  H     18.31004052      7.79972738    -10.58530228
  H     15.01466024      8.06071341    -11.82023803
  O     15.26340491      6.51739328    -10.83579135
  H     17.61938352      8.14957682     -9.26074067
  H     15.35855195     10.09761683    -10.88392469
  O     20.76066670      6.32277431    -12.76250591
  H     13.88308213      5.77056309    -13.77322223
  H     16.10444245     10.50015189     -9.57091288
  O     17.10360477     11.80526802    -12.37495431
  H     13.34975840      6.81374062    -14.76984379
  H     15.45558273      5.63511170    -12.33373514
  O     18.98712322      5.49596354    -14.63572107
  H     15.70929925     12.30087855    -13.50892421
  H     16.22145924      4.55768523    -13.14672860
  O     15.14034433      8.95262155    -12.16452972
  H     14.83532944     13.30000486    -14.27935336
  H     18.16673267     10.34471082     -9.12395672
  O     15.47174907     10.80972626    -10.23109532
  H     13.92855149      8.79248994    -15.42143278
  H     17.78390377     10.18069415     -7.63244639
  O     15.56181888      5.25658402    -13.22081361
  H     13.79694779      8.25620625    -16.86587101
  H     12.42163759     11.00317620     -9.06642161
  O     17.53397172      9.92092187     -8.51504363
  H     12.76551269     10.02060810    -13.62475314
  H     13.70776608     10.67430450     -9.85404885
  O     12.77989408     10.41808292     -9.72962892
  H     13.97182256     10.84823795    -14.20125217
  H     18.15344567      4.03326816    -12.13255906
  O     17.76707252      3.56706957    -12.89584303
  H     11.95302309     10.10953153    -11.43704141
  H     17.89376882      2.63480041    -12.74321453
          69
 Energy    -248.37614422607743     
  O     12.22244157     11.31848138    -15.02623709
  H     13.03542890     11.21382619    -15.53404907
  H     16.33789764      7.23608281    -15.50340447
  O     15.94242699      7.35307929    -13.76894486
  H     12.37995105     12.04457806    -14.41057653
  H     18.84478521      7.96162233    -12.70016513
  O     17.53475592      9.45331504    -10.18526125
  H     15.08570524      7.01070120    -13.48289997
  H     19.16260955      8.56998816    -14.10006209
  O     17.34534077     12.02867692    -13.54690069
  H     16.55544938      7.23771815    -13.02984715
  H     15.07084213     12.77432709    -15.42370980
  O     14.00248746      8.37327080    -17.27589036
  H     18.08098738     10.11255585    -10.62912486
  H     16.00800885     13.10126039    -14.24943771
  O     13.84695567      7.96557481     -9.50984403
  H     16.74525171      9.90259715     -9.86307853
  H     15.12074291     10.29006056    -14.51937390
  O     13.53681216      6.46688623    -12.73025526
  H     16.72914285     11.28294159    -13.48092859
  H     15.63612385      9.11039859    -13.65195027
  O     13.81696782     11.10237389    -11.69043188
  H     18.06761094     11.83088870    -12.93989548
  H     11.27517954      9.98510984    -14.45427026
  O     17.49544685     11.07090456    -16.21200599
  H     13.48207015      7.95264235    -16.56815152
  H      9.86818669      9.35357009    -14.31303264
  O     15.16007983      5.79144124    -10.47709023
  H     13.59030488      8.12910700    -18.10059450
  H     16.83720819      6.52221758    -11.12961843
  O     18.88641635      8.59256691    -15.97958669
  H     13.14722612      8.19178715    -10.13590299
  H     17.52226346      7.90440109    -11.01434881
  O     16.55283589      7.33740343    -16.44390558
  H     14.30192250      8.79338985     -9.31462972
  H     11.86488207      7.90368574    -14.92605621
  O     19.33993702      8.65259188    -13.15506136
  H     14.01595305      6.05831777    -11.99871009
  H     12.86218639      6.81672221    -14.49574031
  O     15.19536281     13.38671760    -14.69209617
  H     13.10268548      7.25354081    -12.36841347
  H     19.37730583     10.17034002    -12.32686585
  O     15.39436951     10.04476771    -13.62665378
  H     13.46748710     11.91735208    -12.06832936
  H     20.18217546     11.24492949    -11.55751533
  O     10.78885733      9.21529038    -14.10747360
  H     14.39892406     10.70961150    -12.36167387
  H     14.88606983     11.22811258     -8.66322516
  O     17.50403712      7.08602875    -11.53849296
  H     18.02130737     10.26211724    -16.18901286
  H     14.61632755     10.84083205    -10.13695048
  O     12.53594441      7.29793455    -15.26527990
  H     17.63281552     11.49563792    -15.35522894
  H     14.50704042     10.03537163    -16.69731629
  O     19.30035980     11.00681422    -11.83032572
  H     14.73503892      6.55818929    -10.05159322
  H     15.74697061     10.92223275    -16.37722807
  O     15.06036821     10.55825030     -9.31950565
  H     15.09536976      5.06632061     -9.86083261
  H     12.75412795      9.60419042    -11.70259066
  O     14.78357854     10.85529190    -16.26548054
  H     18.07631704      8.10334287    -16.21112832
  H     11.62665618      8.88054945    -12.45995618
  O     12.25854315      8.77392054    -11.73808525
  H     19.57127572      8.28141813    -16.56604882
  H     12.60795237     14.21248418    -13.03432138
  O     12.98110567     13.34407383    -13.15638597
  H     15.74340141      7.65109336    -16.85944452
  H     13.79705990     13.45780152    -13.67801816
          69
 Energy    -248.37608314420976     
  O     11.93191351     10.98891412    -14.56413372
  H     11.56954606     10.56177718    -13.77850430
  H     19.30200671      8.50671078    -13.18718550
  O     15.67770018      6.29658916    -14.09716454
  H     12.53808010     11.67706640    -14.26362206
  H     16.55783911     11.80865649    -15.51719814
  O     16.87685050      9.83411432    -10.67724792
  H     15.70312504      7.26265333    -14.18791788
  H     15.53303472     11.79212146    -16.66445085
  O     17.78826850     10.59358660    -14.87778214
  H     16.47602923      6.02352907    -13.63051991
  H     16.25428262      9.53099866    -14.69174845
  O     12.18499926      6.86212090    -16.24931039
  H     16.20150010     10.21594646    -11.25830579
  H     14.79039463      9.13306535    -15.08976205
  O     15.18416150      8.83494776     -8.70770500
  H     16.43328016      9.67074711     -9.83420135
  H     10.14337227      9.61447928    -11.81668729
  O     14.01800859      6.58703868    -11.89232329
  H     18.29451566     10.00014892    -15.44893892
  H     11.66563308      9.38137289    -11.68979576
  O     14.83865468     10.65778246    -12.31596706
  H     18.20260995     10.56601326    -14.00662606
  H     16.64327689      7.88742800    -10.71127014
  O     16.71658613      8.24907396    -17.61922542
  H     12.02008334      6.86507242    -15.28954399
  H     17.00685496      6.44312912    -11.10950364
  O     19.04085651      8.57348877    -16.34715211
  H     11.41818707      6.46782344    -16.65602665
  H     12.43042707      6.75485088    -12.94324020
  O     14.95324698      6.27211596    -16.79067241
  H     14.37859657      8.94681707     -9.22918922
  H     11.37890107      7.84649865    -13.22122931
  O     19.33511515      7.67060057    -13.66737273
  H     15.52723837      7.96948514     -8.96083760
  H     19.68360148     10.68690875    -11.91808249
  O     15.77133203     12.25888408    -15.85472077
  H     14.45312203      6.41694487    -12.74045802
  H     18.29259688     10.05646750    -11.68627061
  O     15.47709965      9.02803273    -14.41707397
  H     14.75326951      6.61409809    -11.26497777
  H     18.46448717      4.85842568    -12.53993360
  O     10.94199280      9.50329638    -12.32677953
  H     15.00856990     10.03143832    -13.03672624
  H     18.51363320      6.35600359    -12.93414999
  O     16.43431774      6.96179182    -10.53006876
  H     14.56858656     11.48626930    -12.72775656
  H     14.35213817     10.13737098    -17.44186123
  O     11.75517923      7.03207278    -13.57446476
  H     16.19216145      9.02470907    -17.84388558
  H     14.58678631     10.75797633    -18.83988422
  O     18.99722579     10.17999314    -12.34487967
  H     16.09568407      7.53831775    -17.40094858
  H     13.41960357      8.16727112    -11.17617683
  O     17.95723251      5.66552852    -12.53009336
  H     19.74093909      8.55384113    -16.99369779
  H     13.73299524      9.68029858    -11.29161848
  O     15.02244062     10.54775681    -18.01775519
  H     18.21190305      8.39022495    -16.82789443
  H     13.96031525     13.77097436    -13.76350213
  O     13.18458349      9.03610263    -10.81829324
  H     13.99703880      6.36824546    -16.72357988
  H     14.63216260     12.66433091    -14.61064220
  O     14.01775001     12.82564726    -13.87130209
  H     15.24935583      6.11089181    -15.88364047
  H     12.92231438      8.53808414    -16.31738784
  O     13.35449189      9.39620650    -16.23275485
  H     19.25730579      7.88999737    -14.60426651
  H     12.79161375      9.96522173    -15.68521734
          69
 Energy    -248.37545952850809     
  O     -5.00950844      2.95027671     -2.16238698
  H     -5.86913000      3.15098145     -2.52198706
  H     -1.83251844      0.13395841      3.66915220
  O     -0.86807555      2.74626593     -3.74349257
  H     -5.09015166      3.02446897     -1.19392257
  H     -0.44211672      1.69708930      3.05982448
  O     -5.07608991      3.22316927      0.53990958
  H     -1.38128565      3.28534296     -3.11615025
  H      0.86229927      0.98939615      3.49402463
  O     -2.06026030     -2.78610533      2.21414066
  H     -0.75384660      3.27377226     -4.53050917
  H      0.89872111      3.33365259     -0.37218344
  O     -0.37268374     -0.21782316     -0.87644883
  H     -4.45900807      3.82683295      0.96881982
  H      1.77117948      3.91152997      0.76890311
  O     -3.18044733      0.98172531     -3.30004255
  H     -4.92944593      2.35528196      0.94258277
  H      3.37618032     -1.69829766      1.28888933
  O     -3.70204143     -1.84518243      0.29065556
  H     -2.67400904     -2.51607681      1.50648686
  H      1.94881054     -1.11303525      1.33325138
  O     -2.49705564     -1.41449956     -2.25769093
  H     -2.35250820     -3.63902618      2.52281769
  H      2.86680703      0.48845196      2.59364195
  O      1.00397655      2.00664975     -1.71718434
  H     -1.02647092     -0.73922428     -1.35887319
  H      2.90033304      2.01740650      2.72969663
  O      0.18084598     -1.24841349      1.62708846
  H     -0.19311143     -0.65261946     -0.03178856
  H     -0.29228965      3.53035539      1.64269533
  O      3.44481653      1.41001627     -0.41704539
  H     -3.82527489      1.58451737     -2.91037346
  H     -1.71968032      3.79584093      2.22975057
  O     -2.70123741     -0.26255693      3.52433321
  H     -2.41145408      1.51307705     -3.53588071
  H     -3.71920150      0.46256871      2.19536029
  O     -0.09135490      0.85830050      3.39220499
  H     -3.37340044     -1.72047972     -0.60689492
  H     -3.41224979      1.11471742      0.82027831
  O      0.90366848      3.97694356      0.34953977
  H     -4.00193237     -0.97936119      0.60022297
  H     -1.42792433      1.14616738     -0.31261524
  O      2.88376271     -0.88531533      1.20326697
  H     -2.79952752     -0.57496622     -2.64806173
  H     -1.60711304      2.25101295      0.78082190
  O      2.63802003      1.21140267      3.19013198
  H     -2.53848575     -2.06928442     -2.94974186
  H     -1.69833163      5.25312906     -0.83192260
  O     -0.98770278      3.16702659      2.21151208
  H      0.59679197      1.17253970     -1.43708776
  H     -0.43139260      5.32459063      0.03363203
  O     -4.12253093      0.73198262      1.35652584
  H      0.51749141      2.27921264     -2.50297740
  H     -2.25070262      3.20176761     -1.18368511
  O     -1.98994403      1.87543816     -0.02371654
  H     -0.51091157     -1.89024645      1.83146176
  H     -3.36030377      3.80083861     -2.06446059
  O     -1.28795845      5.74771992     -0.10794938
  H      0.06112342     -0.50292956      2.23590117
  H     -2.49500203      5.36829424      1.12367057
  O     -2.42663137      3.89644339     -1.84059830
  H      2.69218989      1.58524083     -0.99744710
  H     -3.39035396      5.71282095      2.33796177
  O     -3.10003304      4.99034243      1.78641759
  H      3.26590525      0.57132888      0.02679286
  H      3.52983912      2.69468884      0.75534416
  O      3.41997962      3.37831811      1.44200696
  H     -2.52667372     -1.16830913      3.24373381
  H      4.24734634      3.84869525      1.49949084
          69
 Energy    -248.37536571314922     
  O     17.54580418      8.23207355    -13.74639761
  H     16.75741321      8.73933651    -13.99947779
  H     19.86864627     12.62177880    -15.07026807
  O     16.77932204     12.12474097    -11.48777531
  H     17.70727386      7.62595218    -14.47975097
  H     13.37868385     11.93450987    -13.58391663
  O     15.10919061     13.31742054    -15.72694538
  H     16.75203124     11.98232571    -10.53336333
  H     12.41102618     11.54580242    -14.71203295
  O     12.86991224      6.35983004    -15.10957185
  H     17.44088700     11.51178829    -11.84086673
  H     15.94036585     10.25379090    -15.15870279
  O     15.16060471      9.05330999     -8.92567589
  H     14.80677311     14.05760597    -16.24714101
  H     14.77601770      9.23396403    -15.14343685
  O     16.00643469      6.93915329    -11.84956989
  H     14.32290429     12.94726555    -15.28869384
  H     12.36490549      8.19624914    -12.43021472
  O     14.43106393     10.98089784    -12.39813748
  H     13.69035182      5.96055476    -14.78031802
  H     10.92198435      7.66867214    -12.54824158
  O     16.26744140      8.60908736    -17.49011222
  H     12.44207547      6.77612458    -14.35455221
  H     18.87792397      9.80222084    -10.77693773
  O     17.31147027      7.21830673     -9.38153308
  H     14.53627213      8.87867864     -9.63951085
  H     18.16934693     10.17309603     -9.45650692
  O     16.88559121     11.21449702    -16.34554055
  H     15.81479016      8.34394258     -8.96835850
  H     15.55031391      5.85289315    -13.35294491
  O     17.38880208      6.60601717    -15.99641174
  H     16.61837174      7.38307624    -12.45455064
  H     16.02547024      5.80494779    -14.82385858
  O     19.09349140     12.14210698    -14.79041426
  H     16.45450737      6.89163616    -10.99631817
  H     16.39478094     13.67181621    -14.33314949
  O     12.98974733     12.25515158    -14.40998618
  H     14.76333058     10.52922795    -13.19233306
  H     16.93736584     13.33460987    -12.91466306
  O     15.40485799      9.69747274    -14.57542210
  H     15.18656831     11.44088584    -12.01111353
  H     18.39355199      9.59279076    -12.96088336
  O     11.63546475      8.04924007    -13.05541317
  H     15.31663103      8.59338247    -17.31120799
  H     19.01105376     10.96894182    -13.29897742
  O     18.71032921      9.49335975     -9.87749932
  H     16.55911181      9.50570508    -17.28651911
  H     16.09359034     10.53432157     -8.83185109
  O     15.33372049      5.50051518    -14.22520662
  H     17.80178151      6.63576444     -8.80809246
  H     16.63538967     11.70215453     -7.97340545
  O     17.17054727     13.73557832    -13.76318557
  H     17.88734709      7.98146924     -9.56887954
  H     13.40084480      7.72658874    -16.08107297
  O     18.72825974     10.41117788    -12.56472333
  H     16.29132625     11.97457417    -16.27070511
  H     12.90080636      9.17698717    -16.21177598
  O     16.71734708     11.28234982     -8.82532796
  H     17.71431271     11.46316578    -15.91713494
  H     13.97144038      9.42235577    -11.67019332
  O     13.64321315      8.60210570    -16.42491386
  H     17.89486055      6.02709606    -16.56020432
  H     14.50326303      7.95031293    -11.59323701
  O     13.75066573      8.52252947    -11.38299560
  H     17.00416859      7.28909648    -16.57324861
  H     10.57042575      9.92147019    -15.46191835
  O     11.46578151      9.94533686    -15.13091363
  H     18.47076565     12.79755849    -14.42453424
  H     11.50559539      9.30749250    -14.40066011
          69
 Energy    -248.37529654722971     
  O     -3.84825430     -1.63648117     -1.97343543
  H     -4.30670179     -1.88279472     -2.77303003
  H     -1.58752817     -3.84869787      2.02845869
  O     -2.27359881     -0.96645174      1.60290250
  H     -4.06757527     -2.31355327     -1.30870180
  H      2.31327599     -0.67632001      2.23349542
  O     -5.85355254     -3.16556204      2.34062508
  H     -2.12064970     -1.89812159      1.40391626
  H      3.79402194     -1.02312835      2.50266429
  O      1.79788284     -2.47407328      4.96906506
  H     -3.22771709     -0.83290634      1.65495257
  H     -3.89756097     -2.70327513      4.90956960
  O     -4.34247819     -3.50260318     -0.06937970
  H     -6.64606010     -3.63696946      2.58191535
  H     -3.13065065     -3.78134855      4.12859684
  O      1.97687301     -3.83229662      1.54828044
  H     -5.20387958     -3.32548153      3.04901529
  H     -1.95692103     -1.56131277     -1.91996455
  O     -3.33620409     -1.18606987      5.98128128
  H      1.71391245     -3.40307931      4.72288254
  H     -0.85267425     -0.64407169     -1.36582293
  O     -5.04576781     -0.52036242      1.92669261
  H      2.21802964     -2.04285436      4.21367440
  H      0.57202658      0.65161496      2.47699787
  O     -0.90256494      0.72933933     -0.13306505
  H     -4.95055577     -3.45490101      0.67600298
  H      0.67102635      0.65695201      0.95515883
  O      0.28066989     -3.61325422     -0.71554772
  H     -3.47410235     -3.68932867      0.31696820
  H     -3.51108831      2.04238945      3.48158946
  O     -0.97255482      0.54623421      3.49784646
  H      1.46443208     -3.69889607      0.74276817
  H     -2.88659945      2.63610050      2.18910405
  O     -1.85218433     -3.68050905      1.11418320
  H      2.32851277     -2.96901336      1.80403047
  H      1.53124720     -4.69182569      2.97062048
  O      2.90938591     -1.37476758      2.55808247
  H     -2.39291572     -1.30002642      5.76936796
  H      1.70112119     -5.90731976      3.91640645
  O     -4.01876029     -3.44431701      4.30585317
  H     -3.41333769     -1.30081818      6.92565354
  H     -5.31464435      1.14216953      4.99072231
  O     -1.00206228     -1.49716167     -1.79531510
  H     -5.42345178     -1.39974505      2.05667433
  H     -4.17944916      0.09819162      4.95919318
  O      1.20190435      0.54003224      1.75171867
  H     -5.01403573     -0.08536346      2.78797488
  H     -4.32099552     -0.01816229     -1.08528210
  O     -2.78192334      2.57682440      3.14798866
  H     -1.43413199      1.53201494     -0.09512579
  H     -4.90167945      0.31736421      0.30144621
  O      1.25677445     -5.06929971      3.82740338
  H     -1.37787568      0.09176782      0.42338556
  H     -0.47560851     -4.44276541      3.88510304
  O     -4.68228610      0.72105704      4.41204817
  H     -0.12547750     -2.82975895     -1.12780183
  H     -1.10319516     -3.07339284      4.23977946
  O     -4.59603111      0.71718806     -0.52488314
  H      0.44646725     -4.23286954     -1.42177692
  H     -0.76044659     -0.72698373      4.65799910
  O     -1.28723013     -3.92391930      3.81745679
  H     -1.40021982     -0.03520021      2.84905773
  H      0.16830087     -1.81135727      5.28188472
  O     -0.75242263     -1.52057265      5.21640395
  H     -1.47451492      1.37173799      3.48111096
  H     -3.12210311      3.50130487     -0.19453254
  O     -2.92784228      2.69348716      0.27362114
  H     -1.07665382     -3.75495875      0.54493257
  H     -3.55223618      2.02219906     -0.05641847
          69
 Energy    -248.37501282654449     
  O     16.22827337      8.79611427    -16.72025411
  H     15.50125873      8.68660436    -16.08725682
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  H     16.94655386      9.17926638    -16.20310305
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  H     13.96083023      4.62412110    -16.00820465
  H     18.24037811      6.24680011    -18.04453645
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  H     17.51825207      7.52968181    -17.45102208
  O     15.33136490      7.17744302     -9.43794304
  H     19.31073187      5.13627213    -12.87429828
  H     16.93358853      6.35945779    -14.55457250
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  H     18.68837148      4.37177795    -19.73440057
  H     17.31186158      6.09905690    -16.03169023
  O     17.31322354      7.52271697    -13.19981957
  H     17.38130121      4.43369874    -18.90649894
  H     14.29757727      8.28670024    -13.91730687
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  H     15.31623138      5.25606846    -18.73001108
  H     13.86033997      7.40730049    -15.09549362
  O     13.89105209      4.74875473    -10.00578592
  H     15.20991652      3.80125886    -18.21346595
  H     15.81152141      2.33521637     -9.05593036
  O     20.12173764      7.59842403    -15.44438560
  H     15.39325351      7.68746087     -8.63482850
  H     15.16789906      3.57471381     -9.72539513
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  H     16.14397962      6.64342224     -9.49502919
  H     21.36032196      4.60699812    -14.25243755
  O     19.22072852      3.56151739    -16.31755683
  H     15.05681772      4.46638738    -12.73922475
  H     20.04781017      4.46286557    -15.05093370
  O     18.27509174      6.93571637    -17.37000753
  H     14.03574041      5.07559949    -13.74217412
  H     16.39821403      3.12897120    -11.50246973
  O     16.76929708      5.77319820    -15.30372237
  H     16.44780546      7.70191849    -12.80865173
  H     17.30241188      4.05482985    -12.36025668
  O     14.19315585      8.28518270    -14.87669324
  H     17.60805362      8.30751893    -13.67718711
  H     18.00682918      5.46268278    -10.44840460
  O     15.97663252      3.03300539     -9.68361969
  H     16.78760294      4.00572621    -15.24520318
  H     17.09003077      4.61259943     -9.54765236
  O     20.47445714      4.95403887    -14.32728557
  H     16.65773820      2.91295649    -14.17683644
  H     15.13379716      7.63642048    -17.83847184
  O     16.56501571      3.42769643    -12.40432670
  H     13.79498962      4.80774660    -10.96569073
  H     14.21572983      6.50289401    -17.37365962
  O     17.46629870      5.49565355     -9.64872118
  H     14.22619021      5.60900580     -9.72295222
  H     14.55324800      6.75782290    -12.36766934
  O     14.66391760      6.85397824    -18.15119338
  H     19.59878141      7.34755136    -16.22181002
  H     14.90970445      7.68310274    -11.18695285
  O     14.77435055      7.67433790    -12.14271033
  H     20.31240288      6.77339959    -14.98571536
  H     18.73282618     10.38866973    -14.70927129
  O     18.33136906      9.53718280    -14.85978931
  H     15.24119050      2.83221123    -16.13577886
  H     19.05642053      8.91100799    -15.04179365
          69
 Energy    -248.37494289808507     
  O     12.29258583     11.69612553    -15.74298068
  H     12.99503958     11.91406516    -15.12098657
  H     18.27948589      9.33792701    -12.21037174
  O     15.58211242      7.56713078    -13.09799786
  H     11.58379646     11.33753060    -15.19385619
  H     16.73548079     10.16879847    -17.24466224
  O     16.01481698     11.78638770    -11.40997555
  H     15.39375122      8.26391272    -13.74619861
  H     17.82535891      9.82906288    -16.16218995
  O     16.73110438     12.68113912    -14.79333951
  H     16.05916424      7.99195031    -12.37197144
  H     14.29519101      9.05532023    -15.50562403
  O     13.09686027      8.11826699    -16.55902303
  H     15.45113993     11.80808601    -12.19556178
  H     15.70494231      9.75014780    -15.50238395
  O     12.96984721      7.76482861    -12.15728017
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  H     11.14892983     10.58900924    -13.00719627
  O     14.24015900     11.70047061    -13.59477379
  H     15.81804502     12.57547330    -14.50834965
  H      9.68682081     10.80361733    -13.45280787
  O     16.88294795      6.67247688    -15.43628679
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  H     14.66612755      9.55422216     -9.01713282
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  H     12.93785910      8.84250631    -17.17911968
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  H     13.76289908      7.53976969    -16.95418045
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  H     13.86973060      7.58530074    -12.46095700
  H     10.97518915      8.73988394    -14.28940653
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  H     19.02439657     13.23844525    -12.64318536
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  H     17.65115875      7.25661845    -15.42761298
  H     16.32286528      8.79473645    -10.29213543
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  H     14.77444009     11.57940880    -10.11115212
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  H     12.90173162      7.17721174    -10.45148674
  H     13.93444759     12.01802606     -8.89046674
  O     18.40262495     12.51674970    -12.67510419
  H     12.78313136      6.02817386     -9.43938288
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  H     18.95946519      8.96626181    -14.45829789
  H     15.56707006      8.54961706    -18.31557097
  O     14.00423260     11.34737750     -9.56577449
  H     19.88665315      8.42061122    -15.57002419
  H     12.85012784     10.76829195    -10.94418480
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  H     15.87862849      6.70582086    -16.84607646
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  H     12.43086652     10.81521487    -18.78632478
          69
 Energy    -248.37480883496531     
  O     -6.97194991      3.39685358     -1.35503391
  H     -7.58745440      2.75301001     -1.70401046
  H     -6.06583376      1.42608028      4.62163182
  O     -3.49654832      1.67465772     -3.70219253
  H     -6.86473519      3.16086675     -0.42267138
  H      0.07172726      1.68786420      2.32298109
  O     -6.33116449      2.35356207      1.17930694
  H     -3.63703231      1.55513344     -4.63828943
  H     -1.21044457      0.83097145      2.35654908
  O     -4.46374232     -0.71866926      2.31111511
  H     -4.16329981      1.13173680     -3.24629813
  H     -2.05789684      3.61421009      0.02093630
  O     -1.62914781     -1.41820115     -0.79728704
  H     -6.30914171      2.07840864      2.10382454
  H     -1.41703473      2.51138987      0.95355810
  O     -5.20412601      0.28201128     -2.11071132
  H     -5.51937327      1.99676229      0.78099781
  H      0.04309617     -1.39175580      2.18464053
  O     -6.20872502     -2.18615112      0.68469656
  H     -5.11519803     -1.26408314      1.85157491
  H      1.35836233     -0.60915482      2.03011282
  O     -4.28803202     -2.23215779     -1.21260485
  H     -4.93793909     -0.10585774      2.88751025
  H      2.59484871      1.67184403      1.68863402
  O     -1.25085669      1.05924890     -2.04714685
  H     -1.53876479     -0.57658887     -1.26636218
  H      1.61841268      1.06956688      0.65194527
  O     -1.74795033     -0.85182756      1.94267298
  H     -0.76331704     -1.84473844     -0.82029350
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  H     -3.60201431      3.39413895      3.12228556
  O     -5.67215880      1.35637910      3.75658326
  H     -6.11446115      0.23164587     -1.79396948
  H     -7.24857802      0.85138791      0.16701216
  O     -0.87765132      1.73137908      2.49347891
  H     -5.51510003     -2.29422025      0.00766323
  H     -7.16062409     -0.66637420     -0.04536019
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  H     -6.61467739     -3.04099284      0.80170456
  H     -3.27029719      1.68840616      0.22570396
  O      0.99111667     -1.50181467      2.02671336
  H     -3.34540065     -2.08229236     -1.06277070
  H     -4.02154856      0.49231643      0.92349382
  O      1.74600502      1.24651870      1.60112339
  H     -4.59560742     -1.46488814     -1.71300545
  H     -3.46080442      4.82161305     -1.06606045
  O     -3.32496527      2.64702224      3.67504321
  H     -1.90950500      1.26793978     -2.71856050
  H     -2.64657677      6.06021568     -0.61131644
  O     -7.45585318      0.15321706     -0.46400822
  H     -1.38788936      1.69199030     -1.32416962
  H     -5.30879303      3.82331278     -2.02437656
  O     -4.06945604      1.14755706      0.21641510
  H     -1.73853961     -1.03460392      0.99207040
  H     -4.07260797      3.28838890     -2.79645397
  O     -2.93071234      5.19332700     -0.33619025
  H     -2.66462488     -0.94119075      2.23386966
  H     -5.18523999      4.00436630      1.63600202
  O     -4.38900185      4.01744344     -2.25323818
  H      1.55595350     -3.07827011     -0.73198697
  H     -3.96831041      4.83901473      1.18702368
  O     -4.43750034      4.51248662      1.96502043
  H      1.08633921     -2.10994790      0.38179818
  H      0.55100112      0.77874500     -1.49540651
  O      1.34362215      0.52895495     -1.00415039
  H     -4.80999413      1.81324486      3.80127313
  H      1.35078086     -0.43636832     -0.99249594
          69
 Energy    -248.37444538489342     
  O     13.64000363     13.66068061    -13.94232446
  H     13.60204827     14.52770427    -14.33854674
  H     18.83389003      9.44830872    -14.91920823
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  H     13.78410565     13.03932121    -14.67288118
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  O     19.51312371      9.91193781    -11.55517198
  H     16.48052353      6.39085448    -14.42057115
  H     14.78058161      9.09428871    -18.27428078
  O     18.31499613     12.50882500    -14.95164464
  H     15.47827482      6.08515799    -13.29755498
  H     16.58650391     10.76572186    -12.84437409
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  H     19.77963858     10.08734424    -12.46560996
  H     16.71191441      9.24822733    -12.45381347
  O     15.87335563     11.01556628     -9.60889503
  H     18.95616492      9.12173428    -11.56422158
  H     15.00045675     11.50407439    -16.13703883
  O     13.46531605      7.72980421    -10.97504729
  H     17.72731149     12.21989415    -15.65880109
  H     13.94829109     10.99045403    -15.11892507
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  H     11.49095768     10.49006908    -11.80975118
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  H     17.48415093     12.50040467    -11.74524572
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  H     14.23019391      7.87782935    -10.40538074
  H     19.56006726     11.35313505    -14.50515544
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  H     13.34916555     10.23395343    -16.98628577
  H     21.00733985     10.81423606    -14.61314128
  O     17.53129347      7.91495479    -11.55640019
  H     13.17607887      8.70358575    -16.81129008
  H     19.11803348     12.46070204     -9.73530267
  O     12.41385445     10.30365696    -11.65405948
  H     15.76630525      9.29325271     -9.45297111
  H     18.89098178     11.24119874    -10.66508547
  O     16.90815382     12.54146440    -12.52026742
  H     15.83548562      8.08324020     -8.49126834
  H     16.39964816     10.42676082    -17.53028453
  O     20.14535735     10.61425148    -14.25818643
  H     16.96857777      7.82696477    -15.88946660
  H     17.15070282     10.34887255    -16.20413239
  O     18.45364263     12.00346950    -10.24257164
  H     16.13799407      7.64363783    -17.15988503
  H     13.62498379     11.74040979    -11.47495330
  O     16.66333489     10.96247741    -16.77267133
  H     14.55331346      7.31256799    -15.72982813
  H     14.00079658     12.96580253    -12.32418222
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  H     13.50196933      6.82896706    -14.69395132
  H     13.66574707      8.89034807    -14.42737525
  O     13.76189876      9.69698222    -13.90594108
  H     17.37741053      9.33164028    -14.41060526
  H     14.67450854      9.72369005    -13.57664027
          69
 Energy    -248.37435172945419     
  O      0.06613103      4.75502254      6.90300329
  H     -0.08459671      5.68036024      6.67307777
  H     -0.44278447      7.15532782      4.90252634
  O     -2.69349712      1.31923490      7.31041584
  H     -0.71008817      4.27075326      6.58569226
  H     -1.53864731      2.40407403      2.80992979
  O      1.77452403      3.70324455      5.01519813
  H     -3.44853793      1.49016852      7.86808228
  H     -0.72544079      3.72286796      2.79047448
  O      2.33284165     -0.72877550      8.25929433
  H     -2.57814567      2.11505287      6.76703427
  H     -2.59637402      4.82334450      2.72164315
  O     -1.00910415      0.65952005      2.73377059
  H      1.28341784      4.12288008      5.73445926
  H     -3.59124907      5.70393548      1.93210365
  O      2.97616560     -0.11337806      3.91777886
  H      2.71781520      3.72602959      5.21903018
  H      4.47922751      2.71345063      3.72459842
  O     -0.05067838      0.53892238      7.52568317
  H      1.43550375     -0.43188313      8.05407053
  H      3.94262205      1.33419218      3.29196008
  O      4.10858245     -1.16611670      6.26172647
  H      2.72696577     -0.01691368      8.77820680
  H      1.28361833      4.19473372      3.39977784
  O     -0.38490933      6.80095355      3.19030654
  H     -1.49423258     -0.16140502      2.72653016
  H      1.47459360      3.94187802      1.88017481
  O      2.64909987      2.84939694      0.93555602
  H     -0.18687713      0.51052344      2.23258049
  H     -1.96380386      3.40694863      4.82920355
  O      3.43792739      1.65850529      9.41245450
  H      3.42719635     -0.58412015      4.62849775
  H     -2.67111632      4.40847987      5.77398181
  O     -0.58516272      7.28559247      5.85728818
  H      2.19751464      0.29242929      4.32771811
  H      0.78769050      3.57923341      8.20469423
  O     -1.59814444      3.35085316      2.98813619
  H      0.23321059      0.70178458      6.61388183
  H      0.65081304      2.04723881      8.34291077
  O     -2.98579772      5.71260626      2.66895975
  H     -1.00501482      0.69010901      7.54401332
  H      1.06740341      2.05048073      4.93967583
  O      4.29523502      2.16848558      2.95147509
  H      4.60730357     -1.95552600      6.45452124
  H      0.07487383      1.04855649      4.24743164
  O      0.92023210      4.39832379      2.52347880
  H      3.43109629     -1.08725289      6.95783857
  H      2.01711510      0.02428418      2.26744933
  O     -2.19514018      3.56446862      5.75285737
  H      0.17294912      6.07633278      2.87757954
  H      1.79405008      1.16524899      1.25180785
  O      1.12370185      2.81741076      8.68908998
  H     -1.28065280      6.58237712      2.90497682
  H      4.72071160      0.60545297      6.70083122
  O      0.72781833      1.14382937      4.95015645
  H      3.14191071      3.02081869      0.13762950
  H      4.44583635      1.58693649      7.86156524
  O      1.41131912      0.34460478      1.58560444
  H      3.30201107      2.65184271      1.63310475
  H     -3.26740908      6.09290414      4.54069908
  O      4.87774161      1.50800495      7.00030526
  H      3.62776425      1.85429023     10.32553089
  H     -2.41176724      6.61801098      5.70952196
  O     -3.20457526      6.10655388      5.50466964
  H      2.62943081      2.15241180      9.18172007
  H      5.18438343      4.28156913      5.61490635
  O      4.53183531      3.62344631      5.39305965
  H     -0.36708924      8.19426946      6.04631714
  H      4.68851369      2.86123944      5.98038546
          69
 Energy    -248.37416391719438     
  O     14.16046195     12.40570619    -10.57298269
  H     13.76730107     11.55546295    -10.81285267
  H     12.90445537     14.57154788    -16.34802873
  O     13.26451821     13.10345523    -17.19288151
  H     15.00081484     12.22857371    -10.13191549
  H     12.05692312     14.55446877    -12.71055290
  O     15.59633136      8.98880272    -12.63983004
  H     12.91356014     12.23485091    -16.96179724
  H     11.94824270     14.73069922    -14.24917838
  O     15.67058900     15.64142817    -11.78912548
  H     14.17572668     12.95475898    -17.47499532
  H     18.44113794     13.23775815    -13.01822343
  O     12.71198605     10.49904839    -16.21984232
  H     15.30390971      8.40999500    -13.35794808
  H     19.78792244     12.99060074    -13.73788118
  O     14.76080910      7.77877938    -14.96364951
  H     16.11054557      9.69355829    -13.06161335
  H     16.38078260     12.65859902    -18.70762295
  O     14.77588498     12.71208094    -13.33948712
  H     15.59616698     15.69436790    -12.75216748
  H     16.47709909     13.02855062    -17.20889951
  O     13.16149242     10.03429338    -11.71346606
  H     14.76919200     15.50875925    -11.47547455
  H     11.66689074      7.99178712    -14.33916453
  O     15.49298975     10.19081952    -16.32911717
  H     12.33263436      9.63608459    -16.01281175
  H     11.37246719      7.25830714    -15.66710220
  O     17.27759733     13.97800836    -16.00779440
  H     13.67307359     10.37558645    -16.24197815
  H     17.34780907      8.40617252    -10.00642876
  O     12.26321235     11.62422789    -13.73182266
  H     15.07603191      8.45744429    -15.57493847
  H     16.43377351      9.03692598    -11.06757126
  O     12.75982273     15.38491756    -15.83064897
  H     13.80671774      7.73111005    -15.09434742
  H     16.81397416     10.90756458     -9.77196839
  O     11.59050915     14.24373644    -13.49613949
  H     14.76020977     12.74594205    -12.37576120
  H     17.02360026     11.95632007     -8.65497068
  O     18.84406949     12.91945343    -13.84755174
  H     13.91438817     12.36391508    -13.60507378
  H     17.62604251     11.52126418    -14.00316049
  O     15.97556089     12.50327151    -17.85880915
  H     12.79497990     10.58172080    -12.42905483
  H     16.10043294     11.66536409    -13.80925674
  O     11.89779613      7.95585376    -15.28292987
  H     13.99989853      9.66406867    -12.02506583
  H     13.33695792     13.97539517    -10.78628671
  O     16.89969196      9.21643356    -10.23480287
  H     16.00432777     10.43651640    -15.54455478
  H     12.50181608     15.17042526    -10.27774159
  O     16.70057852     11.84674555     -9.54607601
  H     15.68933213     10.87306068    -16.98324305
  H     10.64985615      7.97074541    -11.98138102
  O     16.79960659     11.02681658    -14.02386778
  H     17.88303565     13.65301600    -15.33195141
  H     11.97677152      8.71833834    -12.17038697
  O     12.98892524     14.84899551    -11.03309853
  H     16.62780588     14.52334213    -15.54237952
  H     16.99192592     14.41194467    -11.57152859
  O     11.37318598      8.08767530    -12.59237765
  H     11.87259645     12.51090993    -13.70500875
  H     17.37773610     13.08177392    -10.86739347
  O     17.63992928     13.69205280    -11.56372831
  H     12.29689651     11.30414594    -14.64182383
  H     14.42960857     15.40052850    -14.98977854
  O     15.24400589     15.17576717    -14.52463093
  H     12.36024100     16.01800177    -16.42079080
  H     15.08777425     14.30979078    -14.11457568
          69
 Ord_Energy   -248.374130    
 O    1.60881495      -5.78917599      -3.57493949    
 H    2.26174068      -5.10327244      -3.38075900    
 H    1.63813579      -6.40602160      -2.83256125    
 O    3.23272753     -0.111115083       3.03734279    
 H    2.68075681      0.561607301       2.61492515    
 H    4.13071537       6.54959232E-02   2.73463726    
 O    2.13145852      -2.59801221       3.20097041    
 H    1.94128942      -2.73823643       4.12567425    
 H    2.51297569      -1.70492637       3.13455725    
 O   0.830861568      -2.19039106      -3.11340809    
 H   0.183538601      -2.87712431      -3.31299686    
 H    1.66904402      -2.65085292      -2.94854164    
 O    4.33366776      -3.90359378       1.88590693    
 H    3.63768983      -3.52514291       2.43712187    
 H    3.87652183      -4.41170645       1.20037305    
 O  -0.771069288      -4.49513960      -3.33425379    
 H    4.30152006E-02  -5.00251102      -3.50756335    
 H   -1.41237116      -4.77497911      -3.98240495    
 O    2.32976174      0.227582604      -2.95913458    
 H    1.78249466      0.996825516      -2.73800254    
 H    1.74333525     -0.499611229      -3.19643807    
 O    5.10617304      -1.84209180      0.283644736    
 H    4.26137829      -1.40505207       8.87122899E-02
 H    4.92437220      -2.58858204      0.873017430    
 O    3.14897966      -3.62096429      -2.56666756    
 H    4.01990461      -3.21059608      -2.61061835    
 H    3.06968331      -4.02933455      -1.69195676    
 O    5.68147039      -2.37081409      -2.33060002    
 H    6.54565334      -2.75302768      -2.46228671    
 H    5.58376980      -2.21614432      -1.37474847    
 O    5.78575659      0.360210776       1.75703168    
 H    5.67854071     -0.453589499       1.23576927    
 H    6.65701628      0.324901074       2.14462924    
 O    5.09001064      0.444633126      -2.67846727    
 H    4.16711473      0.430321991      -2.96963716    
 H    5.37349653     -0.475590289      -2.68033481    
 O    2.72556067      -4.93068743     -0.149158090    
 H    2.41256547      -5.80390644     -0.414733976    
 H    1.97039700      -4.47339678      0.249531403    
 O    2.78905535     -0.488613218     -0.280971140    
 H    2.75780940     -0.188865885      -1.20097315    
 H    2.61883926      0.273018986      0.287318259    
 O  -0.672605455       1.10851634      0.137788579    
 H   -1.60089302       1.15225518      0.351845443    
 H  -0.483622491      0.187767521     -0.109520607    
 O    1.81884277       1.61808097       1.38041210    
 H   0.906727374       1.50782597       1.08390057    
 H    2.16891265       2.39505076      0.923961818    
 O   0.572022200      -3.61423206       1.05424559    
 H    1.02306235      -3.29026556       1.84437919    
 H   0.344939679      -2.83374953      0.528500199    
 O    1.40590107      -7.22169161      -1.10682452    
 H    1.25434089      -8.12115097     -0.830978334    
 H   0.593155503      -6.72166014     -0.906975865    
 O    5.06059408       2.09801865     -0.446497679    
 H    5.35443211       1.57691705      0.307663500    
 H    5.15165281       1.53914762      -1.23287582    
 O    2.85806370       3.60740614     -0.278731048    
 H    3.69188762       3.11061645     -0.379366755    
 H    3.09128070       4.53014851     -0.233654991    
 O   0.910540342       2.34690642      -1.95415401    
 H   0.273238957       2.02508640      -1.30634487    
 H    1.55412948       2.86956859      -1.45792067    
 O  -0.685795546      -5.55189657     -0.633832633    
 H  -0.408473432      -4.89392710       1.66243501E-02
 H  -0.831610143      -5.08671808      -1.46689332    
 O   0.231191143      -1.39540637     -0.540463805    
 H    1.14299572      -1.13372838     -0.333757311    
 H   0.258847624      -1.67513835      -1.46528935    
          69
 Energy    -248.37409805967710     
  O     15.93137666     10.62088245    -16.63028674
  H     15.10984979     10.84613280    -16.18105384
  H     20.79840953     10.01164761    -17.84487086
  O     15.17616705      6.04477984    -13.20088726
  H     16.37330037      9.96540736    -16.06609459
  H     18.02718303      8.59549974    -14.96305528
  O     18.78967409     13.34955018    -11.18210428
  H     16.02303350      5.70245293    -12.88614493
  H     16.74066244      8.71837764    -14.08311199
  O     19.86637872      8.28951795    -14.92346509
  H     15.25795784      6.09981743    -14.16348962
  H     13.47707428      9.91421116    -15.00949731
  O     17.83626204      9.81175449     -9.03954633
  H     19.34608020     12.63869561    -10.81589314
  H     12.76338931     11.27098759    -15.20511148
  O     15.92748433      8.56995198    -12.42852691
  H     19.21112429     14.17460750    -10.95879628
  H     18.13363263      8.44821966    -10.26672847
  O     18.09467878     11.90753396    -13.51290032
  H     20.07400182      8.65129056    -15.79320324
  H     18.82368278      8.52377153    -11.64954702
  O     19.13307727      5.67547720    -14.93492987
  H     19.73736932      7.33131659    -14.99298837
  H     13.98719385      7.64693112    -15.49429392
  O     17.54147240      5.32020794    -17.28511096
  H     17.30082001     10.50285636     -9.46949633
  H     13.18412080      7.62759120    -14.19780873
  O     15.49758808      6.66484635    -15.92771760
  H     17.57296857      9.79351268     -8.12335731
  H     19.46780990     10.67746141     -9.70722263
  O     17.85084283      5.48997882    -12.32778687
  H     15.52396201      7.71699579    -12.64296386
  H     20.15637952     10.62469029    -11.08082035
  O     20.06943679      9.63697743    -17.35792716
  H     16.69555177      8.38865475    -11.87227111
  H     19.89947277      9.22273854    -13.43180453
  O     17.07244322      8.72979088    -14.98959874
  H     17.16200440     11.69607449    -13.36780888
  H     19.10422509     10.47158062    -12.97118519
  O     13.61325647     10.87805190    -15.02370527
  H     18.34769727     12.53350711    -12.82283561
  H     16.00875283     11.69064473    -11.12293872
  O     18.28069596      7.95347573    -11.08323262
  H     18.55488045      5.45246703    -15.67511743
  H     17.20061207     12.47427378    -10.54529174
  O     13.33809625      8.15305456    -14.98294888
  H     18.63439665      5.53566801    -14.12193530
  H     18.89805907      8.31223092    -18.08517873
  O     20.09871037     11.14570324    -10.26689028
  H     17.82422030      6.15274631    -17.70900730
  H     17.48801960      8.20570829    -18.70067621
  O     19.65772133      9.74472004    -12.65338394
  H     17.63608019      4.63430721    -17.93983752
  H     14.77386058     11.25227147    -13.55508162
  O     16.52092176     11.82816260    -10.31590110
  H     16.03145191      6.07896239    -16.47535767
  H     15.53970717     10.26670243    -12.64878597
  O     18.23266700      7.67929221    -18.37540361
  H     16.09187895      7.38775140    -15.67278913
  H     18.50269399     11.79751618    -15.35358126
  O     15.44044187     11.20883993    -12.86129356
  H     18.17125578      4.77565316    -11.78079228
  H     17.62232582     11.45689710    -16.56007061
  O     18.53880965     11.62200539    -16.30276275
  H     18.05593790      6.31038887    -11.85101497
  H     15.83318585      9.91615165    -19.78690413
  O     16.13241378      9.34387886    -19.08495982
  H     19.55222324     10.38483864    -17.00821143
  H     15.98978000      9.83466362    -18.26034165
          69
 Energy    -248.37406670452694     
  O     17.37993065     10.02264612    -17.51216934
  H     16.50525378     10.43188920    -17.51102611
  H     18.19371884      5.87657290    -12.89532579
  O     15.44590578      5.38362630    -14.03487225
  H     17.43003078      9.57350520    -16.65493168
  H     22.15714212     10.09778454    -16.72286027
  O     17.95419306     13.91404763    -12.04169022
  H     14.67683588      5.95176907    -13.91133124
  H     20.68515703     10.54846088    -16.54814026
  O     20.07204349      8.52974128    -14.30479647
  H     16.06570071      5.58171491    -13.32174709
  H     18.30376771      8.49514423    -14.86770781
  O     16.58246630     11.09686476    -10.10387009
  H     18.11603373     13.46364999    -12.88279245
  H     17.12305074      7.72755847    -15.55225689
  O     15.32640671      9.12537217    -13.44208323
  H     17.01069985     13.79925372    -11.87392003
  H     14.91533576     11.25209149    -15.96764843
  O     18.15167109     12.10432485    -14.18243785
  H     19.92743365      9.15759613    -13.58318082
  H     14.52678796      9.92870176    -16.66885459
  O     19.31820315      5.88377273    -14.22325994
  H     20.57808613      8.97088862    -14.99847297
  H     16.38100139      8.81956820    -12.04686625
  O     13.32383652      7.34353461    -14.24577545
  H     16.68530245     10.17981772    -10.38662097
  H     17.28370622      7.67738659    -11.54348900
  O     18.92384311      5.63132026    -17.08108176
  H     17.47855459     11.44674051    -10.02022408
  H     13.78974580      7.89281042    -17.72027541
  O     16.30899190      6.32142316    -16.43783880
  H     14.58589068      8.53908722    -13.63217207
  H     14.92339196      7.37974274    -16.80578177
  O     17.55105174      5.91305660    -12.16391737
  H     16.04463324      8.91621797    -14.06331477
  H     18.83162905     12.91183329    -10.90712010
  O     21.28836987      9.78372883    -16.48987219
  H     18.47286389     11.40942016    -13.59274146
  H     19.83425339     12.64821851     -9.75682809
  O     17.37726524      8.55921185    -15.13068015
  H     17.19695088     11.98211646    -14.27458358
  H     19.35051490     10.85910452    -11.62556152
  O     14.81564073     10.83283343    -16.83247789
  H     19.21537168      5.66976004    -15.15661263
  H     18.47030963      9.63633149    -11.99026061
  O     17.07761166      8.60958460    -11.40590765
  H     19.73524748      6.75809482    -14.20058358
  H     15.66697943     12.28450718    -11.04478152
  O     14.12193566      7.93056674    -16.82606080
  H     13.48055329      7.53957620    -15.18465828
  H     14.57376586     13.37692108    -11.06728466
  O     19.21778889     12.21790033    -10.34229243
  H     12.37854307      7.30731864    -14.12329099
  H     20.16520990      8.63648572    -17.53921869
  O     19.17200746     10.21535024    -12.32170513
  H     19.33573058      4.99981748    -17.66446320
  H     18.70590440      8.76048978    -18.01291094
  O     15.27217499     12.98942873    -11.58832242
  H     19.14904112      6.51650212    -17.42159774
  H     15.21571829     12.30335941    -13.35784428
  O     19.44465584      8.14089927    -17.94665036
  H     16.04905071      5.84902277    -15.63011500
  H     15.27401400     10.84899170    -13.86052407
  O     15.35117516     11.77067651    -14.15110422
  H     17.14340403      5.95331252    -16.75203504
  H     18.71699159     11.26499894    -17.09116294
  O     19.43512608     11.71513329    -16.62600065
  H     17.78560388      5.20840971    -11.56446314
  H     19.05634973     11.98479483    -15.77816804
          69
 Energy    -248.37405409979874     
  O     -4.08175036     -2.88878956      0.67404764
  H     -4.68344481     -2.90847201     -0.06631458
  H     -0.17526687     -6.10967401      1.49188701
  O     -0.87107793      2.49815512      5.45161772
  H     -3.18648734     -2.79035991      0.30463885
  H      1.94496316     -3.54298790      5.05448128
  O     -1.75077527      0.65780464      2.28562079
  H     -0.26721383      1.85257353      5.06163836
  H      2.38833312     -2.80492564      3.77078646
  O      0.64326169     -3.56670928      6.45467219
  H     -1.39094957      2.00599280      6.09945830
  H     -0.97974194     -3.12304139      1.62943294
  O     -2.60681752      0.76567985      6.95423364
  H     -2.06864560      1.53192232      2.54302743
  H     -0.17548487     -4.02289993      2.61957370
  O     -0.97198545     -1.35680843      6.13528921
  H     -2.47726195      0.03795119      2.43794631
  H     -4.03253193     -6.07675656      4.97892567
  O     -0.51890951     -5.84849315      5.05117597
  H      0.95089349     -3.65544785      7.35437906
  H     -3.37343544     -5.53303406      3.68630290
  O     -4.20808319      0.98129799      4.76581524
  H      0.11090023     -2.75595261      6.42316531
  H     -4.07378278     -1.63813041      2.09417933
  O     -0.06787031     -0.41115340      0.34112635
  H     -3.10440662      0.96016508      7.74398078
  H     -3.46548134     -1.71518608      3.50793875
  O      1.05155853     -5.45940176      2.88022641
  H     -3.23489316      0.80333012      6.21030364
  H      1.90830831     -4.52527411      1.38209603
  O     -3.35654965     -5.39277749      1.98083458
  H     -1.58584125     -1.88480680      5.59953130
  H      2.17659846     -3.02568495      1.17477704
  O     -0.90001124     -6.10155958      0.85580986
  H     -1.49397611     -0.65676275      6.54582000
  H     -0.05976336     -0.34588469      4.85430890
  O      2.51030938     -3.61786336      4.27459194
  H     -1.48040797     -5.79540124      4.99538207
  H     -0.40823032      0.35920364      3.51661635
  O     -0.65256163     -3.18761551      2.53569289
  H     -0.22587247     -5.10649052      5.59393701
  H      0.79121379     -2.10456712      2.49871375
  O     -3.32854980     -5.51899303      4.66123434
  H     -4.26081050      0.27028760      4.11454269
  H      1.39363590     -0.81410234      3.06503978
  O     -3.85142580     -1.10215497      2.86442216
  H     -3.85245495      1.74623535      4.29587625
  H      0.70760269     -4.71853107     -2.05487776
  O      2.11154194     -3.86515693      0.70714330
  H      0.68212991     -0.66371762      0.88954876
  H      1.02158753     -4.24475067     -0.61500277
  O      0.29766683      0.23510109      4.16893927
  H     -0.66273496      0.07774847      0.92899957
  H     -2.00500585      2.96529977      4.18818083
  O      1.59059165     -1.55307281      2.47329313
  H      1.70713071     -4.90801790      3.33675644
  H     -2.74864896      3.95590913      3.25797250
  O      0.30325319     -4.50823415     -1.21774022
  H      0.48324710     -5.79530939      3.59219059
  H     -1.85078230     -2.99842371      3.80181497
  O     -2.67097859      3.03249261      3.48037389
  H     -3.66023025     -4.59543725      1.53542353
  H     -2.90000507     -3.73775676      4.67741800
  O     -2.51973991     -2.87034323      4.49454003
  H     -2.54268967     -5.67637331      1.53895764
  H     -0.95368371     -3.30107839     -0.62690958
  O     -1.49718308     -2.68092996     -0.12584631
  H     -0.54076050     -5.69622054      0.05805816
  H     -1.01642159     -1.83972006     -0.07860354
          69
 Energy    -248.37404307857844     
  O      0.24127426      0.69029623      3.34215292
  H      0.90821244      0.26842085      2.77925566
  H     -3.46054900      2.51515999      3.76089335
  O     -1.87866692     -1.85371724     -3.10676458
  H     -0.56593949      0.75538840      2.80675752
  H     -2.11345507      4.10685766     -1.77205346
  O     -1.08859226     -1.19983657      4.92178348
  H     -1.67761978     -1.88306391     -4.03891477
  H     -2.15684411      2.79662863     -0.94995919
  O     -3.95411656     -1.13121267     -1.30297847
  H     -1.17627823     -1.33132787     -2.68557533
  H      0.46249826      3.43449220      1.33532773
  O     -1.56351722     -3.98538318     -1.15551950
  H     -0.56209614     -0.50228941      4.49821151
  H     -0.31649542      3.57558645     -0.00045185
  O      0.28202888     -2.47976386      0.27297205
  H     -0.62983247     -1.43845399      5.72338336
  H     -2.98567427      0.38987527     -1.00597118
  O     -3.61821263      4.50271620      1.31003989
  H     -3.40851247     -1.39594468     -2.05318051
  H     -1.45704201      0.59948103     -1.10139207
  O     -3.97273210     -0.86234777      4.43376472
  H     -3.82020268     -1.80739893     -0.62142245
  H     -2.79618978      1.04107656      2.39830666
  O      0.41955828      3.43335267      3.22511504
  H     -2.33079024     -3.87335912     -0.57990881
  H     -2.18751812      0.89174724      0.95986489
  O     -0.04206789     -0.44040328     -1.56840517
  H     -1.72250592     -3.41537662     -1.91697497
  H     -2.82087275     -2.78881068      1.25468879
  O     -5.75846601      2.58662355      1.48212549
  H     -0.18154680     -3.14936794     -0.24946216
  H     -4.34624912     -2.87040253      1.25624219
  O     -4.02444067      1.75363749      3.55067305
  H     -0.28173920     -2.33081806      1.04656654
  H      1.54026943     -1.27042037      1.09756221
  O     -1.98111472      3.75148782     -0.89648781
  H     -3.07755577      4.31159572      0.53467741
  H      2.03602751      0.14451437      0.75630223
  O      0.52539194      3.30193039      0.38192790
  H     -4.36794232      3.89602176      1.27158527
  H     -2.77163711      4.25067747      2.90109443
  O     -2.28560519      1.04103908     -0.86702570
  H     -3.05865322     -1.00510751      4.69798838
  H     -1.44349929      3.83244708      3.57798695
  O     -2.08099338      0.64414650      1.88455492
  H     -4.05058521      0.08636548      4.25068602
  H      2.74730984      1.70349893     -1.13146557
  O     -3.57552836     -3.03678279      0.69964167
  H      0.43291189      2.47342199      3.37447165
  H      1.45985908      2.06548666     -0.35141730
  O      1.90999988     -0.46949920      1.48989980
  H      1.07077346      3.81230439      3.81085352
  H     -1.36274958     -2.03510260      3.21330770
  O     -2.39087370      3.91241911      3.72709392
  H      0.68712036      0.17823978     -1.43522810
  H     -1.82471500     -1.11133810      2.07684687
  O      1.95207595      1.33056261     -0.76105750
  H      0.07605901     -1.14895537     -0.91720313
  H     -6.24504691     -2.43815068      2.94528958
  O     -1.55381170     -2.02310085      2.26994710
  H     -6.66555440      2.87891755      1.52543566
  H     -4.93825957     -1.65879100      3.20926473
  O     -5.49979098     -2.03442485      2.50794481
  H     -5.77244815      1.69602651      1.08954225
  H     -5.71511685     -0.64068470      1.23941459
  O     -5.74132409      0.04433881      0.55937699
  H     -4.70916533      2.06334868      2.94610688
  H     -5.27046047     -0.31562046     -0.20123914
          69
 Ord_Energy   -248.373657    
 O    9.25116920       5.01615238      -2.29496408    
 H    8.68035889       4.93346214      -3.08109593    
 H    10.1290274       5.21317577      -2.61126518    
 O    7.96224785     -0.357847661      -1.09143245    
 H    7.31322384     -0.458875895     -0.383464664    
 H    8.25530243      0.562266290      -1.07760251    
 O    6.58805180       3.11618710      0.642728567    
 H    5.91574383       2.49424624      0.943740129    
 H    6.13030386       3.68327880       6.68200024E-04
 O    6.70334721       5.70261240       1.74694085    
 H    7.04389763       6.11906052      0.946529448    
 H    6.79132462       4.75285721       1.59101641    
 O    4.47530746       3.11830258      -3.44766378    
 H    5.30443573       2.64160538      -3.60506606    
 H    4.49118757       3.91954303      -3.98627877    
 O    4.35882711     -0.771624804      -1.77677393    
 H    5.04948139     -0.830247581      -2.44764400    
 H    4.80394077     -0.931720674     -0.935552359    
 O    6.94988585       1.94512141      -3.67896724    
 H    7.42538023       2.09964705      -2.84918642    
 H    6.86305952      0.988563955      -3.76944566    
 O    2.86124349       5.79990339     -0.672877848    
 H    2.25328970       5.05309868     -0.610205114    
 H    3.17243886       5.99764919      0.223533228    
 O    6.71233511     -0.838557124      -3.44264507    
 H    7.06654358      -1.59319210      -3.90505505    
 H    7.22202444     -0.748232543      -2.61579561    
 O    2.90457082       3.60110331       2.13871431    
 H    3.24481678       4.50425339       2.17880607    
 H    2.25894618       3.59089255       1.42185926    
 O    4.34756851       1.52906001       1.08534884    
 H    3.88089323       2.19023871       1.61758840    
 H    3.98054338       1.59386218      0.192935124    
 O    8.37687016       2.45314455      -1.31865013    
 H    7.80980301       2.65664530     -0.558756709    
 H    8.81146908       3.27733350      -1.56440985    
 O    4.86867905       5.61351299      -4.68327618    
 H    4.55356359       5.94092894      -5.52201462    
 H    4.55141687       6.23716879      -4.00684643    
 O    5.79430580       8.81150341      -1.15891588    
 H    6.34082079       9.54706669      -1.42472517    
 H    6.38504076       8.04291439      -1.07751763    
 O    1.38075590       3.42943597     -0.328767180    
 H    1.93238735       2.75314140     -0.756965220    
 H   0.474473149       3.15424061     -0.441655129    
 O    5.78761911     -0.765947461      0.732357800    
 H    5.74487448      -1.35883975       1.47864103    
 H    5.27362490       2.24893894E-02  0.975464404    
 O    3.98589611       6.23092270       1.82046437    
 H    4.93246460       6.03119707       1.87719345    
 H    3.92224336       7.19120598       1.72646046    
 O    3.14885449       1.67185032      -1.48740900    
 H    3.53334117       2.19587302      -2.20370078    
 H    3.43632841      0.758449674      -1.63457489    
 O    5.30019093       4.61831808      -1.25304925    
 H    4.46200705       5.03063250      -1.00635469    
 H    5.11622620       4.07537651      -2.02772260    
 O    7.26543427       6.52240849     -0.969129801    
 H    6.55194664       5.88437223      -1.12927127    
 H    8.05857849       6.12720537      -1.34804463    
 O    3.93821788       7.31739187      -2.77284598    
 H    3.43083906       6.86080551      -2.08706856    
 H    4.53249121       7.91515303      -2.30554223    
 O    7.55748844       4.61730480      -4.37122345    
 H    7.38735819       3.66635823      -4.33101749    
 H    6.69987297       5.04048061      -4.49492598    
 O    3.98100829       8.89301300       1.03288913    
 H    4.61053658       8.90771484      0.297686875    
 H    3.27576256       9.48707199      0.784610927    
          69
 Energy    -248.37364890858478     
  O     -1.31595468      3.11083376      2.92126493
  H     -0.72237658      3.51829534      2.26859693
  H     -0.85523018      7.56772906     -0.23138511
  O     -3.01052148      5.29799951     -0.14492489
  H     -2.06747620      2.79902546      2.40315624
  H      1.66597016     -0.27525163      0.76839408
  O      2.26001939      6.46479646     -0.63719414
  H     -3.15815529      5.93249376      0.56909149
  H      1.71543984      1.25341767      0.52364417
  O      1.64083053      8.44694605      1.31961344
  H     -2.16927277      5.53755203     -0.55117944
  H     -0.54625612      2.86025335     -1.87123909
  O     -0.40886518      5.91349087     -1.14514876
  H      2.82842784      5.89650924     -0.09418548
  H     -1.17509575      3.44629857     -3.16443041
  O      2.29305797      2.75816991     -0.08821135
  H      2.15642362      7.26938116     -0.11555317
  H     -2.19869005      0.85195174     -1.88894808
  O      0.33440285      4.38753031      1.10951816
  H      1.92616477      9.34910691      1.43647247
  H     -2.86612218      1.42254440     -3.15428291
  O     -3.08736579      7.15094214      1.94531344
  H      0.70278389      8.47805950      1.05769187
  H      3.48689500      4.08399611      4.47364902
  O     -0.97194992      1.55115577     -0.64268299
  H     -0.45369340      5.14442259     -1.73376128
  H      2.36787669      3.46613841      3.60830537
  O     -1.58217685      5.80845865      3.72189309
  H      0.52957194      6.13538487     -1.03445626
  H     -4.84762784      3.28311907     -1.77049313
  O     -3.09596492      2.65965844      0.82180810
  H      2.38536156      3.10005792     -0.98869017
  H     -4.08803820      4.60342563     -1.52689552
  O     -0.92124823      8.24243760      0.45485424
  H      1.63283709      3.31107812      0.35893202
  H     -3.40754266      3.52613783     -3.46526469
  O      1.19938356      0.53881811      0.94074268
  H      0.65264179      5.04912888      1.73957747
  H     -3.03181171      3.33582913     -4.95608689
  O     -0.45967161      3.56636133     -2.52778599
  H     -0.02119186      4.87784286      0.36113453
  H      0.32735342      2.35169624      3.45910806
  O     -2.96194809      0.74526993     -2.47346786
  H     -2.57789570      6.67854878      2.62919888
  H      1.29675545      1.47437432      2.66561121
  O      2.93662042      4.24926766      3.71242083
  H     -3.79872855      7.60255410      2.39076017
  H      2.38996103      5.00714928     -2.13195375
  O     -4.50341850      4.06792580     -2.21525623
  H     -1.65239034      1.91481637     -0.05854437
  H      1.39909181      3.95136120     -2.68888315
  O     -2.75059205      3.13332363     -4.06809160
  H     -0.30360030      1.13666632     -0.08630862
  H      1.45861191      7.00674188      2.55657937
  O      1.25792817      2.09531342      3.40175718
  H     -1.60609932      4.84870933      3.61465039
  H      1.83163895      5.70831222      3.36991987
  O      2.33040443      4.11167845     -2.48265664
  H     -0.65398938      6.05950936      3.61921354
  H      3.64083663      4.70723180      1.96853117
  O      1.10355496      6.25599008      3.04766727
  H     -3.07565107      3.58217921      0.52911523
  H      3.52358864      3.99638391      0.62412293
  O      3.79456266      4.83314840      1.02536747
  H     -3.84064393      2.24261647      0.37187025
  H     -5.75636148      0.95179537     -0.87518596
  O     -5.03070555      1.56855994     -0.91079698
  H     -1.67748776      7.98967861      0.99883198
  H     -4.35069457      1.17406637     -1.48651767
          69
 Energy    -248.37352437945552     
  O     18.14572460      8.68438075    -10.05799278
  H     17.71269526      9.33433554    -10.62752849
  H     16.56515026     12.46069647     -7.50606026
  O     14.46140254     10.03280486    -11.85624244
  H     17.68565422      7.84314362    -10.17000988
  H     18.01323605     11.70084174    -10.85045239
  O     18.61827245      4.33190860    -13.15198649
  H     13.81447284     10.71866720    -11.99820220
  H     19.33104159     11.94704249    -10.07561809
  O     21.48195745      6.55455910    -10.93464369
  H     14.59082682      9.96009971    -10.89147258
  H     17.86630907     10.19356139     -7.38188582
  O     14.95947327      9.85160510     -9.23797789
  H     18.24711920      3.62808946    -13.67781225
  H     18.33013736      9.10139266     -8.35960743
  O     20.38554503      7.59605212    -15.48361021
  H     18.04366615      5.10679478    -13.27579120
  H     20.82376243      9.88281368    -11.12332217
  O     22.02479684      6.93113045     -8.17173186
  H     21.83094700      6.64030336    -10.03955559
  H     19.69421764      8.86002739    -10.88374196
  O     15.42886363      7.25804137     -8.36915510
  H     21.19640862      7.44473598    -11.18983010
  H     20.31947178      5.13742368    -13.51992236
  O     19.74235365      5.55071779     -7.73538329
  H     15.08622197      8.96134991     -8.87728078
  H     21.39628256      5.92374874    -12.74839745
  O     17.58921517      6.94877744     -6.47867358
  H     15.53846621     10.44396159     -8.74768171
  H     16.28345908     10.37451105    -12.10415183
  O     16.91317582      6.24799626    -10.51293259
  H     20.71182163      6.91473357    -14.87113350
  H     17.66771036     10.00146627    -12.73880607
  O     16.82283969     11.64429680     -7.92508712
  H     20.99688283      7.60866365    -16.21452329
  H     20.24304003      9.57079659     -7.61707666
  O     18.38735260     12.14595593    -10.07759936
  H     21.21764285      6.43366510     -7.94610201
  H     21.49279099      8.74754916     -8.01025692
  O     18.38889166      9.38428059     -7.43159585
  H     22.72990002      6.55972210     -7.64765716
  H     14.46030271      8.40647509    -12.69782560
  O     20.45923193      9.05251862    -11.45028698
  H     15.80051822      6.79869122     -9.13491769
  H     13.73945411      7.05887164    -12.82713813
  O     21.10440459      5.68649666    -13.63702932
  H     16.04846695      7.08837655     -7.65076557
  H     19.26241914      8.49066204    -14.41874559
  O     17.23773906     10.48870775    -12.02267267
  H     18.95212118      5.92863271     -7.33184777
  H     19.42285372      8.90853296    -12.94276998
  O     21.15215180      9.64703231     -7.93547675
  H     19.47905355      5.15203156     -8.57436270
  H     21.90323085     11.95252761     -9.98094158
  O     14.50590270      7.54091988    -13.13077972
  H     17.48540979      6.93385631     -5.53012471
  H     21.20447632     10.78637934     -9.23906138
  O     18.76909852      8.81333012    -13.65067455
  H     17.88733618      7.84433319     -6.71413897
  H     16.16781893      6.91280490    -13.37136458
  O     21.15409167     11.36458774    -10.02257895
  H     17.70272528      5.70707910    -10.37404775
  H     17.66030541      7.37368164    -13.43505958
  O     17.08354483      6.61208147    -13.28401237
  H     16.84482260      6.37638991    -11.46788327
  H     20.05993009      5.44023052    -10.61556724
  O     19.30705922      4.85206058    -10.45365442
  H     17.38388792     11.88415724     -8.68544678
  H     19.08671541      4.46828146    -11.31138522
          69
 Energy    -248.37339074735962     
  O     12.65030876      8.77347144    -16.00735712
  H     12.57687075      8.60601122    -15.05031626
  H     17.59663667      4.54181043    -15.48925783
  O     17.60431351      6.37182698    -12.91984247
  H     11.76371322      8.90293154    -16.33299556
  H     20.10781199      8.57594995    -13.21123913
  O     20.10473297     10.35854492    -12.59968911
  H     17.62500129      5.51534983    -13.36481271
  H     19.33534706      7.23230158    -13.19158679
  O     19.21144201     10.26108761    -17.35848083
  H     17.26256109      6.99210056    -13.58394168
  H     16.00762100      9.81830020    -17.66306762
  O     14.65168416      4.72385384    -14.48069344
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  H     17.51066666      9.70241560    -18.01859879
  O     15.66296313     10.65503846     -9.45676620
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  H     17.51679997      7.94415938    -15.47690425
  O     15.53627865      7.03145940    -11.22156749
  H     19.80836489     10.83705349    -17.82786115
  H     15.99196288      7.59733518    -15.42473611
  O     16.12264494     10.42949913    -13.86490040
  H     19.02479414     10.68633861    -16.50213611
  H     12.74465559      7.34785732    -13.04215994
  O     17.90294661      5.38429771    -16.97637681
  H     15.56477405      4.41545422    -14.50007080
  H     13.09989068      8.82462474    -12.79272759
  O     16.09030864      8.06591534     -8.72779989
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  H     13.81410293      5.28730388    -13.11117993
  O     19.19981435      7.69114478    -16.21673530
  H     15.40912265     11.20795780     -8.72300430
  H     12.75958639      5.02225743    -12.00772431
  O     17.42868961      4.11873534    -14.62739485
  H     15.82346254      9.76410119     -9.09872860
  H     19.23931605     11.00521073    -14.17704703
  O     20.06251474      7.70187726    -13.61837167
  H     14.78524622      6.50446483    -11.52375719
  H     17.76305259     11.16607044    -14.58971262
  O     16.63883147      9.35224503    -18.23047840
  H     16.30709956      6.76881698    -11.74453298
  H     17.09209616     10.79322952    -10.72404087
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  H     15.43523768     10.24051482    -13.21199495
  H     17.14967516     10.69558013    -12.26000635
  O     12.57772816      8.24317703    -13.36044940
  H     16.37064879      9.57267174    -14.25248558
  H     16.29627774      7.71225739    -18.57306831
  O     13.36176324      5.68111851    -12.34191663
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  H     15.88806068      6.64937687    -19.62213116
  O     18.66719259     11.26548172    -14.90956666
  H     18.48644659      6.13042477    -16.77154632
  H     14.88796164      8.69852681    -11.65548300
  O     17.69961974     10.77580669    -11.47070569
  H     15.90060462      7.61397586     -9.56664162
  H     14.69965627     10.08045262    -11.00153139
  O     16.04740796      6.77598989    -18.69135787
  H     16.72621093      7.52039937     -8.27198611
  H     15.21149413     10.69101173    -15.58945055
  O     14.48934595      9.57155683    -11.79274322
  H     19.34635267      8.53601520    -16.65687532
  H     14.04450401     10.02952785    -16.33841327
  O     14.84187286     10.55756568    -16.46910271
  H     19.63559744      7.71241962    -15.35046887
  H     13.89063624      7.44563169    -16.33154756
  O     14.59851063      6.78925565    -16.32554297
  H     17.87641045      3.27738569    -14.64790460
  H     14.98357683      6.74461572    -17.21075921
          69
 Energy    -248.37324904928255     
  O     12.63823029     11.88052333    -15.59016400
  H     11.90244544     11.37910310    -15.20477261
  H     15.45567399      6.36079275    -18.54798972
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  H     13.25524316     12.01971284    -14.86758919
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  H     15.76963344      9.76045485    -15.45798810
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  H     10.82970401      9.35250190    -14.52460696
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  H     11.55864404     10.40041698     -8.41641342
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  H     13.02704614     10.21703219     -8.87321997
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  H     10.72482965      6.88389694    -15.28049276
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  H     15.10909824      9.46755086     -8.55988395
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  H     16.38354449      6.65142735    -14.86306166
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  H     15.68766617      8.91796794    -18.42551134
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  H     12.52542647      8.16380815     -9.45000498
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  H     19.93956955      8.25057050    -15.62897157
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  H     12.62585831     11.30021514    -18.67005930
          69
 Energy    -248.37300140201714     
  O     -2.66725875      5.36105859      3.30656052
  H     -3.10569607      6.20538221      3.24467377
  H     -1.37308805      0.04361047      2.37545123
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  H     -1.75915868      5.48855370      2.97523842
  H     -3.49575109     -1.93726832      2.20288318
  O     -1.43679786      4.22590501      5.65197792
  H     -2.89759924      3.78321251      2.31638948
  H     -3.35186400     -0.91896401      3.34390252
  O      1.44084566     -2.93558319      0.91164917
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  H     -0.15323228      1.56706744      5.10800148
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  H     -1.96844747      4.61232124      4.94573952
  H     -1.29011100      2.43824861      5.69056819
  O     -2.68549108      0.75654489      3.45206277
  H     -0.51936789      4.42802080      5.42907757
  H      1.10619794     -1.84735729      4.12343400
  O     -3.52492720     -1.72027116      0.31450193
  H      1.21062545     -2.86754256      1.84722972
  H     -0.21789169     -2.64289311      3.96663067
  O     -1.07255248      2.03286844     -1.71502203
  H      0.60566902     -3.07229006      0.44158829
  H     -0.65892889     -2.06386567     -0.90078673
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  H     -1.86513118     -2.61900773     -0.15416472
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  H      0.78578323      0.76526440      1.83652701
  O     -3.46095522     -1.86457318      3.16360092
  H     -4.31210287     -1.99363273     -0.15158585
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  O      0.54275755     -2.29532606      3.48165366
  H     -0.63629184      1.18652435     -1.50803781
  H      1.09529841     -0.94473061      6.01534182
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  H     -0.99845606      2.16266131     -2.65659896
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  H      3.52130413     -0.94935332     -0.41195894
  H      1.69726959      1.58790034      3.48645165
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  H      2.32032314     -1.55162867      0.35517508
  H     -0.03016103      4.75117328      1.74948837
  O      1.94260706     -0.87835301      5.53625153
  H     -1.06360758     -1.65255647      6.11163487
  H      0.47052421      5.12942192      3.16449279
  O      1.61099997      1.69723064      4.44470183
  H     -0.86032707     -0.13028688      6.34998802
  H     -3.30733397      1.66556974      0.52876402
  O     -0.09690976      5.42356517      2.44112392
  H     -2.10843181     -3.81741323      5.22993986
  H     -2.65058228      1.33225288     -0.80907958
  O     -3.27158016      0.98770041     -0.15750382
  H     -2.41652587     -2.62768255      4.29071895
  H     -0.42072129      2.93996731     -0.19763405
  O     -0.15798913      3.22151153      0.68767049
  H     -0.25696037     -1.04136044      2.38572982
  H      0.52954646      2.61273834      0.98827163
          69
 Energy    -248.37297387074631     
  O     14.29185432     10.12951611    -16.31642979
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  H     19.64485848      6.07215735    -14.11308493
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  H     13.77959203      9.31977462    -16.39593590
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  O     16.46995632      6.92727435    -11.40134661
  H     16.33960450      3.75267428    -17.07612834
  H     17.87448601      8.51712573    -15.86112077
  O     20.72382566      7.70023400    -16.46104886
  H     15.11795740      3.83561243    -16.12051794
  H     16.20346870      6.95988134    -16.21967964
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  H     16.23788262      7.51644726    -14.76051270
  O     13.68541562      5.87525957    -11.26227296
  H     15.99126667      7.39576575    -12.10347959
  H     12.76385318      7.19115744    -15.48975278
  O     14.61289300      4.01766523    -14.32009574
  H     21.65496912      7.86143030    -16.58629451
  H     11.86133604      7.65921522    -16.64971349
  O     15.16757025      8.13068593    -13.47063405
  H     20.61266118      7.39263278    -15.54302356
  H     14.61327450      2.38246751    -10.97304260
  O     18.27726115      4.96269609    -14.67170739
  H     18.39559776      6.64324654    -18.57796524
  H     15.35294788      3.45620000    -11.79852680
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  H     15.09567632      5.59389082    -17.48732619
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  H     14.54092547      6.26807695    -11.05565649
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  H     15.42461737      4.30355043    -13.87644647
  H     18.51807342      9.05601006    -12.43276225
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  H     14.19291627      3.44781775    -13.66817461
  H     16.67372723      5.26695677    -12.06078769
  O     12.77037544      7.62030212    -16.36026301
  H     15.02051888      9.08207495    -13.54130981
  H     17.40033049      4.48282144    -13.18811861
  O     14.47095512      3.12153782    -11.55870623
  H     14.34258531      7.65909015    -13.63694269
  H     16.63926807      7.32858015    -20.29514956
  O     15.05857176      6.55425453    -17.62595070
  H     18.35294385      4.39679326    -15.44840656
  H     16.19145780      7.15142706    -18.82572104
  O     18.88958378      8.34489513    -11.87974278
  H     17.76857428      5.74134660    -14.95142098
  H     13.55938737      5.56286052    -14.22354707
  O     16.72648341      4.40508268    -12.49897061
  H     18.16011601     10.04798343    -14.41097183
  H     13.07728359      6.26847505    -12.95340983
  O     16.90066779      7.50084147    -19.39376195
  H     16.97593312     10.57836930    -13.58068615
  H     14.60248385     11.64048011    -13.57467210
  O     13.07631889      6.34412123    -13.91980293
  H     18.53802113      4.52626543    -17.55340164
  H     14.79546802     10.69205295    -14.78398745
  O     15.07946820     10.86944312    -13.86755368
  H     18.74779355      2.99278214    -17.57690687
  H     16.65039301      9.22761971    -18.57316022
  O     16.50451722      9.95214056    -17.95505073
  H     19.81481990      7.32662674    -13.22901509
  H     17.23750098      9.89314551    -17.32673027
          69
 Energy    -248.37290867651518     
  O     12.94299534     12.12624242    -11.62320037
  H     13.11960079     11.75093705    -10.74778144
  H     12.73477540      8.33141788    -13.11963287
  O     13.69385211      8.56263161    -17.10316103
  H     13.68374452     12.70451374    -11.84361508
  H     10.41979525     11.39028053     -7.55928049
  O     10.88277049     11.04659933    -15.26648267
  H     12.84428530      8.34900319    -16.67662583
  H     10.43107879     10.51668303     -8.83274346
  O      9.54890227     10.02080786    -10.35114040
  H     13.62602462      8.27521318    -18.00930958
  H     16.44723182      6.50683899    -10.40638020
  O     15.31378481     13.49246579    -12.21939741
  H     10.51570316     11.64917144    -15.90943637
  H     16.01548536      7.77435495    -11.18376021
  O     15.85383709      7.95009643    -15.33068170
  H     11.84807844     11.08892935    -15.36821287
  H     10.72794500      6.85242618     -7.94140010
  O     15.91942441     12.20260140    -14.51573136
  H      9.82367027     10.52722274    -11.13760584
  H     10.21267319      5.40524613     -8.03718664
  O     16.35372424      9.34382616    -11.85882534
  H      8.60791518      9.88137004    -10.42506494
  H     15.90673097     12.28547629    -10.85802249
  O     11.84062564      8.10095539     -7.28152016
  H     15.57054474     14.40733245    -12.29425777
  H     15.29233907     11.39863890     -9.75068658
  O     13.63895151     10.85522790    -15.47923794
  H     15.56522671     13.06079619    -13.05580535
  H     11.56244134      7.86388201    -14.89936823
  O     13.77141136      9.79269342    -12.93148625
  H     15.50559679      7.30604141    -14.69609163
  H     11.00170093      9.10965028    -15.61264942
  O     12.20478529      7.52703392    -13.23149028
  H     15.16332657      8.08570514    -15.98791170
  H     12.67862884      7.90992611    -10.07455461
  O     10.94206925     10.75422858     -8.04236122
  H     15.13715054     11.87974648    -14.98148283
  H     14.21241911      7.63429044     -9.97399062
  O     15.69909804      6.92617660    -10.82391520
  H     16.53268134     11.45742156    -14.49121933
  H     10.65753651      7.00334942    -10.04914775
  O     10.19710916      6.24639140     -8.48595816
  H     16.85872533      9.53924786    -12.65751189
  H     10.49161857      8.41671985    -10.66050203
  O     16.09517609     11.54514370    -10.26744251
  H     16.36965215     10.11957307    -11.27785654
  H     15.04675247      6.34640590    -12.55102418
  O     11.35318969      8.22673119    -15.77303614
  H     11.49794246      8.99774849     -7.36917503
  H     13.78729877      6.54564233    -13.40982801
  O     13.48434160      8.13529464     -9.58900139
  H     12.55376558      8.04045614     -7.93234208
  H     11.26815630     11.77994184    -12.19749922
  O     10.98045146      7.58984730    -10.74900336
  H     13.74998911     10.16218636    -16.14280351
  H     10.49258284     11.23946570    -13.41955761
  O     14.71366655      6.27195741    -13.45215789
  H     13.74086921     10.42615208    -14.61404528
  H     18.36573419      9.69004130    -14.70150868
  O     10.42189630     11.39732522    -12.47178061
  H     13.44928167     10.57406824    -12.46431218
  H     16.91548629      9.14820853    -14.75861403
  O     17.48637143      9.83500786    -14.36394250
  H     14.65027966      9.59231942    -12.58690062
  H     12.71484607     10.97211891     -8.70238894
  O     13.51368267     10.86981182     -9.23235944
  H     11.68807721      7.42571014    -12.42245170
  H     13.59793800      9.91719807     -9.39305658
          69
 Energy    -248.37282325318694     
  O     10.62292073     11.01787664     -9.38065347
  H     10.78693448     11.67074897    -10.08433193
  H     14.14241261     12.18015205    -14.67831504
  O     12.99255854      8.94017462    -17.31134298
  H      9.95862484     11.39323902     -8.80703997
  H     17.03654559     10.36141613    -11.16010238
  O     10.71776988      8.62540338    -10.81728858
  H     12.92439027      9.91133339    -17.33707205
  H     16.62243302      9.36140318    -12.26002164
  O     13.77101417      8.42509046    -14.65545993
  H     13.33576900      8.66582861    -18.15752002
  H     14.95257220      7.89117084    -11.80283646
  O     12.59155227     11.63517390    -17.26852445
  H     10.02556592      8.04017776    -10.51791470
  H     15.08578173      7.85816663    -13.32657926
  O     11.32456738      9.22994118    -13.54319875
  H     10.66294752      9.42553074    -10.27112525
  H     13.93870938     14.05291979    -10.49878178
  O     14.94949780      9.20033494     -8.31243993
  H     13.59251113      8.48899230    -15.60217325
  H     13.81425619     14.70563834    -11.88896365
  O     13.59323164     11.04762157    -11.50168221
  H     12.93290801      8.60605772    -14.20578166
  H     12.62877064      8.22156887    -10.62945022
  O     13.15900394     11.31998252     -7.91262488
  H     13.01982965     12.18303248    -16.59798962
  H     13.63130534      9.34360446    -10.90618722
  O     16.67120097     13.15505360    -12.09752879
  H     11.64256730     11.73820479    -17.12725514
  H     10.57137685     11.96246993    -14.82351444
  O     11.28420269     12.68368273    -11.39974144
  H     11.08360897      9.01827564    -12.63456030
  H     11.99099675     12.38051375    -14.35874653
  O     13.59900934     12.93234084    -14.96534115
  H     11.28627741     10.19125187    -13.64181412
  H     14.57246714     12.02950352    -10.38676358
  O     16.95392762     10.26272693    -12.11645459
  H     14.31396342      9.86283496     -8.00592118
  H     15.79245657     12.05610833     -9.44146405
  O     15.60674648      7.88011170    -12.51464276
  H     14.50719736      8.74104335     -9.03801060
  H     14.59869760      9.96475304    -14.24406239
  O     13.31354697     14.48364441    -11.09405775
  H     14.00596326     11.02083685    -12.37487559
  H     15.72130218     10.65531574    -13.40621106
  O     13.57077802      8.41569180    -10.62819879
  H     12.79067040     11.57871278    -11.55956692
  H      9.90400492     10.59192526    -16.42211951
  O     11.14657132     12.01912668    -14.05069093
  H     12.33991924     11.20323981     -8.40646021
  H      8.99832254     11.74259131    -16.92801647
  O     15.06508463     12.60025535     -9.77250714
  H     13.69743968     11.93447516     -8.42377719
  H     17.78822120     10.55480273     -8.72607169
  O     14.93446289     10.82056004    -13.94246537
  H     16.95714502     12.25068265    -12.26817883
  H     16.33173560     10.05462735     -8.89102848
  O      9.81735477     11.56096333    -16.47601586
  H     16.22305679     13.11309925    -11.24375306
  H     15.64452786     14.24563646    -13.02844644
  O     17.00887235     10.64671705     -9.26729515
  H     11.89553145     13.43024849    -11.30157093
  H     15.42502542     15.64790233    -13.64129943
  O     14.97403815     14.83959037    -13.41048869
  H     11.08561838     12.56448415    -12.33874762
  H     10.57697297      8.86174996    -15.23648527
  O     10.35743832      8.91632610    -16.17667714
  H     13.99105864     13.70872565    -14.55088799
  H     11.18861587      8.76940611    -16.64570622
          69
 Energy    -248.37259266150483     
  O     -3.42605684     -3.05680646      0.40523951
  H     -3.33450870     -3.97841316      0.66815857
  H      0.22921061     -5.80258916      1.45758563
  O     -1.37638224      2.73343696      4.98725765
  H     -2.52071553     -2.74177823      0.26501359
  H      1.56399647     -3.45213124      6.17799274
  O     -1.44512497      0.24573811      1.89590053
  H     -0.72604326      2.03645125      4.81804573
  H      2.30852900     -2.64793651      5.09914793
  O     -0.20215024     -3.40273983      6.94647480
  H     -2.03329697      2.32270482      5.56171485
  H     -0.51596135     -2.93512467      2.07597156
  O     -3.36114262      1.05631581      6.27296174
  H     -1.71400479      1.17273353      1.91183642
  H      0.07537787     -4.07067498      2.98533616
  O     -1.62964071     -1.15748623      6.10760086
  H     -2.25055401     -0.26648615      2.06374474
  H     -4.08701594     -6.17215449      4.13674951
  O     -0.79764780     -5.77922041      5.37042825
  H     -0.65397082     -2.57522634      6.71895051
  H     -3.14578993     -5.69537197      3.00860224
  O     -4.38408198      1.13611931      3.76108210
  H     -0.24478797     -3.47654770      7.89798517
  H      4.18001689     -5.64069749      4.29008149
  O     -0.80571793     -2.09534344      0.45742234
  H     -4.02570277      1.32884299      6.90009685
  H      3.11656186     -4.57315204      4.64600273
  O      0.81164191     -5.76434541      3.15928492
  H     -3.78671336      1.06102260      5.39609869
  H     -3.82658915     -1.80794572      1.65072925
  O     -2.82228156     -5.78550973      1.22328647
  H     -2.10741110     -1.76441811      5.51986315
  H     -3.48515911     -1.80068348      3.15279471
  O     -0.19439194     -5.59118143      0.61146184
  H     -2.22356598     -0.41814955      6.28978549
  H      3.38494445     -3.91483605      2.46141137
  O      2.40203203     -3.39615958      5.70629341
  H     -0.68355001     -4.97723256      5.89460571
  H      2.84192814     -2.47915509      2.43504220
  O     -0.31862401     -3.18865211      2.98761207
  H     -1.68760922     -5.75001504      5.00005389
  H     -0.50991358     -0.17975492      4.95808704
  O     -3.32958372     -5.61968967      3.95908882
  H     -4.33875291      0.30705997      3.26442674
  H     -0.48137840      0.28831464      3.47555878
  O      3.43337915     -5.16430607      3.93841400
  H     -3.87298805      1.77612067      3.25152480
  H      1.41073359     -0.72869819      3.93745302
  O     -3.77557476     -1.23188386      2.42680651
  H      0.05434127     -2.34417941      0.09642322
  H      1.08281578     -2.14816924      3.45990820
  O      3.16357390     -3.19115427      1.86423751
  H     -0.78240850     -1.18679837      0.78493615
  H      2.06943780     -3.43276995     -1.08082106
  O     -0.02846027      0.37307187      4.32746605
  H      1.73952493     -5.66709635      3.40435601
  H      2.15360831     -3.34827516      0.45963940
  O      1.82316609     -1.56399972      3.68837921
  H      0.30354022     -5.89440542      3.97433992
  H     -2.03871308      2.91476590      3.36036107
  O      1.53629751     -3.41335408     -0.29057981
  H     -1.88282179     -5.70276195      0.97910600
  H     -2.46523727      3.71066600      2.10369911
  O     -2.43720776      2.83345401      2.47543895
  H     -3.19785993     -6.42233416      0.61961165
  H     -1.81535973     -3.00822806      3.87506732
  O     -2.67518952     -2.92795744      4.32115964
  H      0.35136828     -4.91109461      0.20354979
  H     -3.06563747     -3.80830310      4.29980437
          69
 Energy    -248.37254307285866     
  O     12.93834733      9.72728169    -10.74999899
  H     13.65408664      9.12308275    -10.97595906
  H     13.73106658     15.42232678     -6.81331461
  O     11.79356679     11.70605395    -12.26448766
  H     13.23262908     10.17724786     -9.94734708
  H     11.17468178     12.41766100    -10.69460231
  O     14.19469801     10.79459989     -8.52354391
  H     12.16711509     10.92806663    -11.82215889
  H     10.09473181     11.87137698     -9.76045690
  O     15.18951559      7.92731453    -10.64543097
  H     12.55078924     12.25540286    -12.50223288
  H     11.31613247      8.48706242     -7.57423287
  O     13.68695616     15.58502317    -11.66479928
  H     14.31676313      9.91814719     -8.13827867
  H     11.37482575      7.55783615     -8.80029156
  O      9.21824707     10.23197446     -9.94277532
  H     13.51042125     11.26980585     -8.03255607
  H      9.82990296     10.18888585     -7.98823505
  O     14.19909025     12.98957289    -12.61097503
  H     14.99824909      7.88878090     -9.69983688
  H     10.96128930     10.83534652     -7.15813892
  O     15.29652495     14.64077168     -9.46542159
  H     14.58762374      7.31733865    -11.09921188
  H     14.82031449      7.58650012     -7.16246224
  O     10.83842768      7.92847543    -10.60485663
  H     13.63306377     16.46235318    -12.03418564
  H     13.48956514      7.88476789     -7.89550314
  O     11.75514327     15.23290828     -9.78028113
  H     12.94100387     15.49476129    -11.04514849
  H     15.22687101     11.61548654     -9.73426208
  O     14.70569148     10.39156145    -13.73075220
  H      9.67722276      9.38745312    -10.03823395
  H     16.21594989     11.33262930    -10.89298168
  O     13.43737068     14.81382432     -7.48599240
  H      8.97392498     10.47949658    -10.84393773
  H     11.02146578      8.45808622    -13.63596284
  O     10.71470946     12.60431601     -9.86479978
  H     14.04855947     13.92746034    -12.43970755
  H      9.74107654      9.21182239    -13.19929409
  O     11.79078828      7.72925688     -7.94758054
  H     14.71071864     12.65923910    -11.85736361
  H      8.69764082     11.62808371    -13.22130736
  O     10.42543737     10.03716499     -7.24641578
  H     15.60297636     13.77402849     -9.76254831
  H     10.10127375     11.30573212    -12.65621646
  O     14.44954676      8.05835814     -7.90302872
  H     14.88910552     15.05325487    -10.23667386
  H     13.00236137      8.15664902    -15.11872318
  O     15.72355016     12.03528148    -10.45277159
  H     11.56509049      8.57268870    -10.59900786
  H     13.47545572      9.16531527    -14.05414347
  O     10.16022648      8.34258903    -13.21435220
  H     10.47628540      7.94353882    -11.50436496
  H     17.64600783      9.46048530    -11.99145315
  O      9.18780679     10.97801879    -12.72444090
  H     11.23104771     14.42264769     -9.81454423
  H     16.27315201      9.07086006    -11.39148823
  O     12.84915528      8.44054361    -14.22011839
  H     12.22304351     15.20513338     -8.93620218
  H     13.07111782      7.19518766    -12.80144849
  O     16.76460239      9.78731311    -11.83089985
  H     15.47072667     10.16487106    -13.18835964
  H     12.34387791      6.78897311    -11.51000433
  O     13.17555687      6.68980428    -11.98377495
  H     14.52465933     11.32084615    -13.54647037
  H     11.65038003     12.44116954     -8.33043879
  O     12.14194779     12.31850404     -7.50376446
  H     14.16378068     14.73485990     -8.13008936
  H     12.57212922     13.16392109     -7.32452937
          69
 Energy    -248.37207760787760     
  O     -4.90653332      0.15112406     -4.17836171
  H     -5.24026655     -0.71258134     -3.90656269
  H     -3.39568241      0.26971561     -0.93437023
  O      0.62458785     -2.06036378      1.30042495
  H     -4.41790525     -0.00653959     -4.99581020
  H      3.47659697     -5.41311394     -0.71186363
  O     -1.09225023      2.05593538     -2.20830374
  H      0.34064795     -2.90422188      0.90688311
  H      2.96067368     -3.95587172     -0.61455270
  O     -0.25799783     -0.16729253     -0.62007375
  H      0.32545189     -2.06704930      2.20594311
  H     -0.51425570     -4.63942923     -0.63184294
  O      1.14801584     -0.97258293     -6.76281974
  H     -2.05393467      1.97801628     -2.15763277
  H      0.94998051     -4.75507480     -0.17414339
  O     -4.08479192     -3.35588108     -5.74920407
  H     -0.73201274      1.41895496     -1.57825393
  H      0.65394770     -3.45015156     -4.72190975
  O     -1.19717776     -4.66553399     -2.45031947
  H     -1.22044663     -0.26269132     -0.54676226
  H     -0.62821740     -3.85584145     -5.49255544
  O     -3.91366586      1.64537613     -2.13320194
  H      0.10224849     -0.70402498      0.09598165
  H     -2.44139259     -1.94619541     -2.92744397
  O      1.71239247     -1.09037818     -2.35386619
  H      0.40002479     -0.46380112     -7.09680453
  H     -2.40418891     -3.30527605     -2.20382156
  O     -1.41496422     -1.17726231     -4.16758670
  H      0.79399257     -1.81934115     -6.45682341
  H     -2.80256516     -4.46073171     -5.37515255
  O      1.36499054     -3.71117228     -3.09196957
  H     -4.67692752     -3.16221082     -5.01189019
  H     -2.18621352     -5.85223844     -5.64223684
  O     -2.97837383     -0.44734689     -0.44080527
  H     -3.84608561     -2.49767333     -6.12353506
  H      2.76488631     -1.76087139     -0.93740053
  O      2.73442855     -4.85324495     -0.92072867
  H     -0.31668148     -4.30847921     -2.64004463
  H      2.34995984     -2.13320380      0.49129535
  O      0.07363776     -4.46761422      0.11292830
  H     -1.55338084     -4.93783240     -3.30516889
  H     -4.58047892     -2.57400795     -2.93308322
  O      0.07277645     -3.19386019     -5.45378921
  H     -4.26449136      1.14458972     -2.88979297
  H     -6.08446655     -2.90843271     -2.78501327
  O     -2.93791933     -2.50910901     -2.31311039
  H     -4.55185825      2.32756426     -1.94040839
  H     -2.64542257     -0.94239147     -5.47495549
  O     -2.05152784     -5.04157201     -5.15816657
  H      1.93585503     -0.52446527     -3.10109759
  H     -2.62301066     -0.20368995     -6.81348171
  O      3.04913998     -2.26492120     -0.16257198
  H      0.97423568     -0.69746438     -1.86600656
  H     -0.84935126      1.14272015     -6.36863181
  O     -5.44195912     -2.54032631     -3.38562797
  H     -0.84310811     -1.82819380     -4.59625528
  H     -1.02141811      1.61414949     -7.83046359
  O     -3.19406120     -0.73380795     -6.24763589
  H     -0.99596046     -0.31178392     -4.24524136
  H      0.64560757      1.18959677     -4.64512609
  O     -1.06055502      0.84274948     -7.27050083
  H      1.46183138     -2.78252862     -2.82931837
  H     -0.57088621      1.74354463     -3.83191564
  O     -0.29991387      1.37892059     -4.68879637
  H      1.90764351     -4.22681328     -2.48443643
  H      1.98808649     -0.15275095     -5.47124506
  O      2.30906168      0.35756713     -4.70542521
  H     -3.05297000     -1.23436511     -0.99818483
  H      3.16115852      0.71259344     -4.94391108
          69
 Energy    -248.37201086163896     
  O     12.24377571     12.32980365    -12.37710456
  H     12.76803980     12.41686510    -13.19324117
  H     18.22783823      6.95342105    -15.46533249
  O     19.59163587      7.22035330    -11.56474699
  H     11.50774189     12.93145056    -12.45753648
  H     18.30225866     11.55705186    -15.83741735
  O     17.96537867     11.17685487    -12.75470017
  H     18.99034730      7.87892905    -11.19039640
  H     17.08232464     11.57201943    -16.77026980
  O     11.95387425      9.47655019    -12.53349568
  H     19.03953578      6.46765336    -11.80584402
  H     11.70631355      7.82003722    -15.20157874
  O     15.86376842      7.06831958    -11.74853273
  H     18.50078327     10.86628216    -13.49630384
  H     12.21360657      8.76220071    -14.08212710
  O     13.47062345      7.96618865    -10.61866057
  H     17.04714850     10.96001287    -12.98268741
  H     15.26914926      9.58182637    -13.52987164
  O     17.75651630      5.25680723    -12.67122345
  H     12.03887305     10.42505944    -12.37838934
  H     15.22343688     10.31087022    -12.14176128
  O     13.94392213     12.33796984    -14.47845602
  H     12.41802661      9.01893601    -11.82265744
  H     13.17504669      9.72726346    -16.05059402
  O     17.20554070      8.38963222    -16.06031616
  H     16.46861682      7.77725490    -11.48492361
  H     13.64363557     11.18844490    -15.88359504
  O     17.63208893      9.10817447    -10.90044957
  H     16.42360995      6.32518429    -12.01126107
  H     20.45700498      7.77355740    -12.99221974
  O     16.02686352     10.28315963    -17.74607237
  H     13.10942964      7.34190807     -9.99338461
  H     21.77705278      7.89172648    -13.78927054
  O     18.76273726      6.34410631    -14.93924660
  H     14.27021243      7.55726946    -10.98859457
  H     16.39848034     13.98954376    -13.87887881
  O     17.61933795     12.13316244    -16.19796309
  H     17.89288709      4.31349118    -12.69111642
  H     16.67366832     13.41104067    -15.28951748
  O     12.46136010      8.32852663    -14.91872530
  H     18.07179805      5.60293821    -13.52619934
  H     17.51163171     14.20053933    -11.57734538
  O     15.34751170     10.43798832    -13.09034340
  H     14.44449799     11.65481124    -14.00448311
  H     17.38843459     12.80747518    -12.22811003
  O     13.62366922     10.44761601    -16.50573101
  H     14.58425715     13.03580381    -14.68076131
  H     15.22604900     13.12021699    -11.14148041
  O     20.83395883      8.01460665    -13.85695752
  H     16.46792218      8.20570784    -15.45997171
  H     13.72516654     12.71749778    -11.21427240
  O     16.07549979     13.98533967    -14.78664419
  H     16.85379714      8.96126904    -16.75412130
  H     19.86415821      9.43982494    -14.61719659
  O     16.89596103     13.61741537    -12.01618271
  H     16.87172649      9.48486322    -10.43415400
  H     18.49620056      9.46932662    -15.33083221
  O     14.49817669     12.73527272    -10.63710530
  H     17.90847457      9.79625442    -11.52159547
  H     14.46013140      9.56361745    -10.14429914
  O     19.18266691     10.03647263    -14.94921569
  H     15.90558052     10.41425986    -18.68264846
  H     14.90002537     11.07943421    -10.21117623
  O     15.21066002     10.16066920    -10.22426943
  H     15.14433610     10.34008005    -17.33835882
  H     15.29288833      7.50788652    -13.44679346
  O     15.14435919      7.94067289    -14.29718429
  H     19.55339736      6.83863421    -14.69090844
  H     14.20163133      7.92585316    -14.50870148
          69
 Energy    -248.37180549593137     
  O     11.83511476     10.26220837    -11.01836306
  H     11.11446744     10.00305358    -11.60588279
  H     17.10088413      6.04403571    -15.48010643
  O     13.54817422      7.35368219    -14.76605620
  H     12.41204891     10.83121246    -11.54181120
  H     16.24842245     11.64914858    -15.02466929
  O     17.68666211      8.67014945    -17.45936668
  H     13.70907068      6.92287488    -15.61421559
  H     15.91356966     13.15503988    -15.11312416
  O     12.16374374      9.73820766    -14.57454969
  H     14.37487200      7.78691840    -14.50124403
  H     15.69917530      8.91703984    -12.98102436
  O     15.61651787      6.50963862     -9.72118594
  H     17.52050598      7.78783167    -17.08001460
  H     16.36738592      9.13253763    -14.36997033
  O     12.91712086      6.10199282    -12.41989139
  H     18.38860803      8.56642229    -18.09612519
  H     18.55885977      7.88043858    -11.51249573
  O     15.35445303      9.71455815    -11.39596268
  H     12.57644978      8.86885516    -14.68220321
  H     18.46597122      6.94286277    -12.73753979
  O     14.88500316      8.76619278    -18.08896155
  H     11.33243174      9.59797458    -14.10695203
  H      9.86274413      6.10166654    -11.42746936
  O     15.29898560      4.73512865    -11.73655894
  H     16.34589743      7.14008967     -9.75216686
  H     11.14396566      6.34105665    -12.24019358
  O     17.41470266     10.33858628    -15.25277209
  H     14.80528910      7.03591578     -9.74808731
  H     19.45863588      9.02066592    -13.25168944
  O     14.26754059      6.30339001    -17.23314286
  H     13.66057820      5.52330904    -12.21400355
  H     20.57295399      9.96758135    -13.72595923
  O     17.02418639      6.25605248    -16.41917592
  H     13.10365494      6.50139626    -13.28332504
  H     16.46926703      5.51532927    -13.02174391
  O     15.53968073     12.30341409    -14.90103752
  H     14.68957943      9.12463787    -11.01021840
  H     16.61495785      6.91661241    -13.66778242
  O     15.83877554      8.51636400    -13.84841818
  H     14.86594812     10.40625597    -11.86289334
  H     17.87423107      9.19073016     -9.44113557
  O     19.02863634      7.59882796    -12.30727689
  H     15.83791129      8.86393881    -17.98468671
  H     16.81425994      9.12296148    -10.56299695
  O     10.22352113      6.62996866    -12.13560883
  H     14.47346083      9.52143729    -17.64297949
  H     13.07922320     10.52442125    -16.02819186
  O     19.63030178      9.83106671    -13.76101677
  H     15.43478760      3.84171414    -11.43158941
  H     14.32577565     11.41693257    -16.13519121
  O     17.03145337      6.04255000    -13.60032217
  H     15.46805078      5.32039802    -10.97565419
  H     12.75085693      8.79255648    -10.49943117
  O     17.51037346      8.61655894    -10.11094375
  H     18.22249608     10.23319875    -14.72625385
  H     13.14443297      7.41353486    -11.10882650
  O     13.75134589     10.83743837    -16.64732046
  H     17.53457531      9.83932576    -16.07142248
  H     13.20286188     10.78470934    -13.49112657
  O     13.36999038      8.05170980    -10.41906604
  H     13.84087323      5.79173622    -17.91429492
  H     14.34649856     11.81631269    -13.52402101
  O     13.74686450     11.35366424    -12.92580248
  H     14.43626034      7.18952852    -17.60718980
  H      9.01361672      9.43941169    -13.04260760
  O      9.93665592      9.23611481    -12.91489588
  H     16.10059377      6.11571540    -16.66146002
  H      9.98578136      8.30053819    -12.65409771
          69
 Energy    -248.37173629206583     
  O     16.06318290     11.37501692    -12.69097560
  H     16.69057131     10.66664142    -12.50426977
  H     10.71983745      7.15937929     -9.52985977
  O     18.28123510      8.05983849     -8.27342183
  H     16.00481277     11.88677322    -11.87523141
  H     12.50822414      7.67490172    -12.50779622
  O     15.09538161      5.50722941    -11.45811461
  H     18.80351107      7.88120322     -9.06492956
  H     12.54283509      7.52669561    -14.03776953
  O     11.83055040      5.81992519     -9.68849791
  H     17.72882008      8.82472367     -8.48401215
  H     12.68491686     12.10932989     -9.15353158
  O     17.72751756      5.17413803    -10.46369481
  H     14.88695398      5.80774797    -10.56078522
  H     12.74011610     12.26044475    -10.66957477
  O     17.01243921      5.72644506     -7.73851707
  H     14.29485771      5.08495870    -11.79044453
  H     14.64155644      8.03458046    -14.49052278
  O     17.51837807      9.14054800    -11.68783930
  H     12.70070229      5.87930719     -9.27262004
  H     14.27809518      8.13707686    -15.99104523
  O     15.85090181     12.62346291    -10.10367743
  H     11.96653534      5.34098527    -10.51336131
  H     18.84730776      6.48654686    -10.75149425
  O     11.56723576     10.28817130     -8.99355612
  H     17.51487002      5.19915318     -9.52204389
  H     20.28243426      6.98486699    -11.05037677
  O     16.52454234     10.03892754     -9.22446909
  H     16.87891036      5.15531820    -10.92379043
  H     14.33739308      7.18589169     -8.69700001
  O     13.62593794      8.74180272    -11.50591983
  H     17.31963787      5.35457411     -6.91632095
  H     15.28964543      6.00506887     -8.35350218
  O     10.10212555      7.90878721     -9.46798183
  H     17.46268652      6.58390112     -7.84651710
  H     11.20675557     10.44323690    -12.02318820
  O     12.07299924      7.22616297    -13.24980520
  H     17.15516884      9.42642553    -10.83702695
  H     12.44334227     11.14513982    -12.68114704
  O     13.14439665     12.58520040     -9.85175559
  H     18.26586478      8.56476565    -11.48487892
  H     10.01857964      8.60965503    -11.24216055
  O     13.93125961      8.27141008    -15.11279841
  H     16.17527094     13.49958726     -9.91170555
  H     10.58292772      8.33534140    -12.64854149
  O     19.40985894      7.28016900    -10.80571523
  H     14.88528716     12.65096932     -9.98599891
  H     12.06127251      4.01897932    -12.75904169
  O     14.48103664      6.23687881     -8.82617643
  H     11.00460457      9.50273943     -9.01997049
  H     12.27225208      5.55172423    -12.70209869
  O     11.94227923     11.05095217    -11.85428674
  H     11.66082220     10.55328969     -9.91763446
  H     13.70818601     10.10503401    -14.43890789
  O     10.13002759      9.00158699    -12.11796967
  H     16.38487322     10.97055325     -9.43523417
  H     14.52154384     11.11411610    -13.58283310
  O     12.49347218      4.71105451    -12.26553772
  H     15.65657435      9.67507623     -8.99927403
  H     13.92062611      8.80260445     -9.80228636
  O     13.63679086     10.91759473    -13.92877180
  H     13.24794888      9.59363232    -11.75785003
  H     13.21191800      9.43251226     -8.60767310
  O     14.00824783      8.94361162     -8.84385192
  H     14.38471345      8.56199961    -12.07460386
  H     16.39905134      8.16716829    -12.68198994
  O     15.67809451      7.67623576    -13.10025523
  H      9.32939821      7.58682716     -9.01052016
  H     15.52940222      6.87350537    -12.58013068
          69
 Energy    -248.37132507818222     
  O     10.95680516      9.97655650    -12.92327677
  H     10.65073873      9.49358704    -13.70159175
  H     15.43431155      7.37205013    -17.66375607
  O     14.29904982      6.86768654    -14.86840053
  H     11.75140242     10.44708602    -13.20205859
  H     18.94506319      6.93608422    -16.95806321
  O     16.70800682     10.74766032    -10.36139659
  H     13.92504560      6.29862941    -14.18667448
  H     17.42478405      6.91099107    -16.66856912
  O     17.14516339      9.87703923    -16.66307470
  H     14.93204870      7.44152202    -14.40853698
  H     16.85486818      7.94145989    -13.45138890
  O     12.87985831      8.92623347    -15.95702885
  H     15.84320387     10.46113118    -10.68406874
  H     16.19751473      9.31221319    -13.86055014
  O     15.97935211      6.53283643    -10.02404216
  H     17.10965745      9.96850674     -9.95565645
  H      9.90649892      8.29662536    -10.43699834
  O     13.56820700      5.44948952    -12.60340049
  H     16.35618078      9.66627353    -17.17866741
  H     10.77055533      8.81164141    -11.61173277
  O     14.45701431      9.61289795    -11.61167760
  H     17.61262223      9.04422728    -16.53310612
  H     18.83270086      8.51770704    -11.17744347
  O     14.71581163      9.14395836    -18.00389010
  H     11.94233146      8.74662219    -15.81741418
  H     18.97962925      9.55979805    -12.30114725
  O     16.38108637      4.90913307    -12.35365895
  H     13.35179988      8.16979164    -15.57278656
  H     11.73551482      5.83750873    -13.09679880
  O     16.26908862     11.06889895    -14.37992163
  H     16.12895103      5.93482715    -10.76576435
  H     10.73325706      6.79169318    -12.42104702
  O     15.79466877      6.60461514    -17.20334187
  H     15.04069702      6.75823618    -10.04101356
  H     17.72417863     11.23743464    -11.68096198
  O     18.28594072      7.21050949    -16.32516120
  H     14.47696129      5.12833395    -12.55429817
  H     18.84554902     12.13436111    -12.25959150
  O     16.02957100      8.43617768    -13.48769119
  H     13.47765841      6.09725674    -11.88824315
  H     18.30743102      6.79268280    -14.51841563
  O     10.63918776      8.06424984    -11.00100197
  H     13.96921353     10.12966711    -12.26386377
  H     18.68396531      7.27702674    -13.07035829
  O     19.17480528      8.64383118    -12.07256041
  H     15.07968470      9.08896386    -12.14137379
  H     18.32775001      8.12026046     -8.68204441
  O     10.90643199      6.30869697    -13.23998509
  H     14.34641328      9.53432728    -18.79199241
  H     17.22917166      7.67729959     -9.67463122
  O     18.29391329     11.38238701    -12.45877179
  H     14.01045120      9.14566336    -17.33565773
  H     12.37533994      7.51269156    -10.52625716
  O     18.16754147      6.62886763    -13.57667878
  H     17.01654907      5.47853172    -12.81864397
  H     13.71062967      8.18966688    -10.87157594
  O     17.93617401      8.33009146     -9.52573279
  H     16.78006101      4.04296041    -12.30901849
  H     13.27633245     10.23769037    -14.66528639
  O     13.32588680      7.35537520    -10.55966422
  H     17.00093371     11.29601133    -13.79228292
  H     14.40265851     11.11572976    -14.09380933
  O     13.48240484     10.85452402    -13.94963871
  H     16.64023070     10.78558232    -15.23048102
  H      9.47580051      8.01174745    -15.49240092
  O     10.31995356      8.20976467    -15.09617694
  H     15.25104540      6.51170467    -16.40773041
  H     10.53107020      7.46756723    -14.50115928
          69
 Ord_Energy   -248.371140    
 O   -6.71243477       8.66836235E-02   6.66924667    
 H   -6.24471331     -0.719697475       6.41089964    
 H   -6.97513866      0.551091731       5.85742188    
 O   -5.73138809       4.02367830       1.36849380    
 H   -6.12097454       3.27847242      0.895685315    
 H   -6.47448826       4.52236176       1.72798717    
 O   -4.55884218       3.99060249       5.33905602    
 H   -4.43168068       3.14630961       5.79520607    
 H   -4.10055447       3.93977761       4.49125814    
 O   -5.34562731      -2.10803199       5.66683626    
 H   -5.16399527      -2.99933338       5.95228577    
 H   -5.86418009      -2.17413402       4.84446430    
 O   -9.44728470     -0.846949339       6.45652866    
 H   -9.96760178      -3.30716595E-02   6.48332977    
 H   -8.54694366     -0.600082874       6.69472218    
 O   -4.36515570       1.69138229       6.90301466    
 H   -4.38750315       2.11038423       7.77275610    
 H   -5.16410494       1.15212393       6.84190273    
 O   -3.47324610      0.867126346       2.65785742    
 H   -3.26173377      0.479171991       3.52038145    
 H   -3.35179520       1.81908751       2.73914480    
 O   -9.09397125       3.36841488       6.98908710    
 H   -8.53736687       2.94875765       7.66191435    
 H   -8.49705601       3.73813128       6.32670975    
 O   -10.9057646       1.58650470       6.12792921    
 H   -10.2803736       2.26334095       6.44604301    
 H   -11.7517796       1.79196620       6.51595068    
 O   -10.0418463      0.998149395       3.52739358    
 H   -10.4578171       1.24252093       4.36631346    
 H   -9.99966049       3.33669595E-02   3.50287390    
 O   -7.43132734       1.46353972       4.41304398    
 H   -8.33076668       1.29411077       4.10327959    
 H   -7.36669874       2.41090488       4.58825016    
 O   -6.86632252      -2.10732985       3.43943667    
 H   -6.57991314      -1.35286319       2.90567875    
 H   -7.82418251      -2.03786659       3.52231097    
 O   -9.28935051       2.92150235       1.61002111    
 H   -9.65284824       2.25367689       2.20540071    
 H   -8.63022614       2.47584319       1.06209135    
 O   -5.26583529       5.33654642       7.66957855    
 H   -6.14446640       5.66005468       7.47519207    
 H   -4.91873217       5.00299597       6.82743883    
 O   -4.84659529       3.14807749       9.25835323    
 H   -4.98593998       3.98492098       8.78206253    
 H   -4.39844894       3.36351466       10.0717878    
 O   -7.41840601       1.97751105       8.69473839    
 H   -7.18542528       1.23339915       8.12560558    
 H   -6.58416462       2.35057449       9.00204659    
 O   -6.08800793      0.308385164       2.28161693    
 H   -5.13047314      0.450559527       2.34937000    
 H   -6.49708271      0.748567283       3.04018211    
 O   -7.08864212       1.76659155      0.235178024    
 H   -6.72928429       1.16628790      0.912206948    
 H   -6.95938301       1.34080493     -0.607962489    
 O   -3.45074296       3.75243926       2.79911113    
 H   -4.24995375       3.85911393       2.25201631    
 H   -2.75053787       4.22786808       2.35947895    
 O   -3.18250895     -0.232514054       5.18849373    
 H   -3.82566428     -0.938971877       5.31978846    
 H   -3.40548038      0.445817858       5.83843231    
 O   -7.29646301       4.18269777       4.98882055    
 H   -6.33128977       4.18839979       5.05376625    
 H   -7.55093527       4.61514235       4.16330051    
 O   -9.67414951      -1.77246344       3.91628146    
 H   -9.60478687      -1.53613913       4.85932064    
 H   -10.2814026      -2.50574493       3.85870838    
 O   -8.09169483       5.16185522       2.50326419    
 H   -8.59524345       4.38875532       2.18678498    
 H   -8.56609631       5.93726492       2.21667933    
          69
 Energy    -248.37109287064027     
  O     18.56444763      9.91849257    -11.18171834
  H     17.78486960      9.52218166    -10.75734811
  H     12.34783972      9.79844321     -8.54937047
  O     18.98637600     12.08122512     -9.45487043
  H     18.76435883     10.72786388    -10.69686971
  H     19.02848439      3.42824466    -12.50751432
  O     12.96052927      7.43169040    -11.05759601
  H     19.63696393     12.77620094     -9.40334480
  H     18.52797294      4.69697518    -11.78446097
  O     17.49852057      9.54982045    -13.72598695
  H     19.11549284     11.51224493     -8.67334621
  H     14.55894048      6.66311999    -11.24938468
  O     19.78026440      7.55161967    -10.40840446
  H     12.93636723      7.93638775    -11.88088315
  H     15.59453538      6.74053731    -12.40597607
  O     19.92515779      7.75613362     -7.67298136
  H     12.91663455      8.06716723    -10.33417678
  H     20.20966339      5.74967540    -12.88141877
  O     17.79214970      5.53451070    -10.39053254
  H     18.18809736      9.11339550    -14.24321635
  H     20.55747931      6.98218648    -12.03871727
  O     13.28493102      8.61249134    -13.68111166
  H     17.89887343      9.74768174    -12.86757619
  H     16.19850136     11.18258036     -5.60434335
  O     16.25643585     12.26363697     -8.58423399
  H     19.43506182      8.40151192    -10.71845304
  H     16.30796776     11.30295024     -7.14542064
  O     14.95956968     10.90597288    -13.22633570
  H     19.05945513      6.90613490    -10.45080773
  H     19.98369607      7.53610511    -14.23230839
  O     14.73153926     10.90358148    -10.49456935
  H     20.72204452      7.35775505     -7.33079593
  H     20.13899741      8.14818877    -15.64391266
  O     13.11831393      9.35691992     -8.89879171
  H     19.97306136      7.68844535     -8.64171900
  H     16.20920853      8.55976549     -9.17925881
  O     18.91935360      4.37022180    -12.61194473
  H     17.67648475      5.64345607     -9.43557541
  H     16.07884736      7.97695301    -10.61496844
  O     15.48679734      6.50230758    -11.47561696
  H     16.94458192      5.77591904    -10.79367569
  H     18.25606949     10.43962797     -6.88171624
  O     20.66513719      6.60056061    -12.91911272
  H     14.09221212      8.11850495    -13.90696435
  H     19.40225906      9.51760793     -7.37333939
  O     16.42073917     10.69379541     -6.39224141
  H     12.67634724      8.48229122    -14.40468947
  H     14.58178444      8.55586635     -7.87936642
  O     19.49956592      7.96500836    -14.96041258
  H     15.67430278     11.93966681     -9.28454214
  H     15.76568434      9.10782386     -7.04308991
  O     16.38738838      8.74091213    -10.11046640
  H     17.13774967     12.33223021     -8.97088646
  H     16.30066703      8.20396960    -13.93056459
  O     19.11846152     10.43814519     -7.31397066
  H     14.32802696     10.21000719    -13.44872406
  H     16.28544902      6.74081747    -14.44369376
  O     15.45554389      8.33353886     -7.53382724
  H     15.82514801     10.58608378    -13.50757476
  H     16.70913304      6.85590193     -7.55760129
  O     15.72638133      7.43664782    -14.06935961
  H     15.33454928     10.15343308    -10.37475568
  H     18.25123318      6.78255978     -7.56461738
  O     17.45341874      6.27460563     -7.75597006
  H     14.72964363     11.07669382    -11.44580512
  H     18.32944547      6.42115991    -15.02220336
  O     17.68885530      5.71735152    -14.85719829
  H     13.58077368     10.00415241     -9.45831812
  H     18.05891191      5.18478562    -14.14284168
          69
 Energy    -248.37103191469288     
  O     11.52544674     15.35294754    -13.18110523
  H     10.60613228     15.30363172    -12.92998350
  H     15.91657064      8.92081742    -13.90423159
  O     14.32453470     15.73891656    -16.35172332
  H     11.54707216     15.24887891    -14.14392485
  H     17.64552904     12.81959795     -8.82907145
  O     15.02125256     11.98052425    -14.97522107
  H     14.83051484     15.86751479    -15.53816317
  H     16.91592855     13.67707822     -9.89146143
  O     12.59047158     12.32657454    -16.25248621
  H     14.88435583     15.23082741    -16.95015765
  H     17.85290754     11.71320279    -13.14755655
  O     14.47406681      9.12385135    -17.72387744
  H     15.40137264     11.11627829    -15.18693765
  H     18.07097000     12.67162202    -14.36556336
  O     16.02238078     14.05855180    -17.96022684
  H     15.71705189     12.63306724    -15.11411637
  H     13.09304485     14.89404761    -12.43018553
  O     16.66020335     11.19544569    -11.82668447
  H     12.22347440     13.20527860    -16.11197730
  H     13.90958275     13.59433118    -12.18838667
  O     11.76089741     15.03498997    -15.96172297
  H     13.43599663     12.28593581    -15.77710839
  H     19.77386073      9.68658658    -15.64163362
  O     15.99045852     15.09043500    -10.30940476
  H     13.75578668      9.20536213    -17.06916186
  H     18.89787594     10.77300280    -14.99679022
  O     17.10277711     13.76895239    -15.39449083
  H     14.24867110      8.38859542    -18.28716293
  H     15.13007222     15.29612931    -13.34478827
  O     17.80575847     16.38481740    -12.13847693
  H     16.41415518     14.31502967    -18.79096643
  H     16.47718351     16.06456971    -13.38091819
  O     15.67563546      8.77632365    -12.97757761
  H     15.47262992     13.27589678    -18.14160990
  H     12.37120074     10.49706499    -15.96259375
  O     17.50802408     12.91298045     -9.76759962
  H     15.73544189     11.44318180    -11.96424356
  H     12.66193634      9.41740067    -14.89338224
  O     18.51514675     12.04979392    -13.76864839
  H     16.96230028     11.68368370    -11.05064489
  H     15.78329352      9.31377524    -16.41103420
  O     13.96022764     14.55991249    -12.16290333
  H     11.22046140     15.43732297    -16.63675502
  H     17.17149062      9.68109639    -15.75583799
  O     18.91575256     10.09919642    -15.69595442
  H     12.67538610     15.33426486    -16.12123970
  H     13.94291015      8.97295718    -12.96898875
  O     15.77993069     15.69826063    -13.93949880
  H     15.20004768     14.94371160    -10.84727347
  H     12.53197685      8.55592968    -12.49249426
  O     12.55833987      9.55549920    -15.84196179
  H     16.56087772     15.66780339    -10.83076263
  H     14.52594224     10.98780770    -18.30660710
  O     16.22563428      9.55935226    -15.59004581
  H     16.87868415     13.88482894    -16.32675886
  H     13.63596733     12.12099919    -17.78890366
  O     12.99849814      9.21211531    -13.00343123
  H     16.69929379     14.49546059    -14.89688714
  H     19.10143679     13.37354338    -12.53961285
  O     14.37518506     11.93631635    -18.38503980
  H     18.39776742     17.12002918    -12.00590467
  H     18.73331850     13.62572751    -11.06752012
  O     19.14081437     14.03762356    -11.83974173
  H     18.34456915     15.57531892    -12.07818980
  H     13.48634420     10.99665897    -12.49470536
  O     13.99295858     11.81606254    -12.47667378
  H     16.14082495      9.45887722    -12.47816471
  H     14.34480840     11.91828512    -13.37700495
          69
 Energy    -248.37102951763495     
  O     11.55501468     10.15363804    -15.53593353
  H     10.93893142      9.54054479    -15.11626118
  H     18.69107711      7.54662217    -14.39197065
  O     15.52245647      5.76150416    -13.62924938
  H     12.01573322     10.61749912    -14.82337361
  H     15.23495154     11.58179785    -16.07318418
  O     16.21678954      9.71379036    -12.18909481
  H     16.13170638      6.12319686    -12.97319244
  H     16.26765235     11.94905658    -15.00309831
  O     18.17916806     12.00674198    -15.00859167
  H     14.65349894      5.73059292    -13.20566095
  H     14.66121944      8.65969799    -15.18416870
  O     13.39646622      6.07420315    -16.97938559
  H     15.62293105     10.31322930    -11.72596875
  H     15.19989473      7.53135580    -14.24530674
  O     13.36561702      8.94111555     -9.92761780
  H     15.78792921      9.44372075    -13.01630991
  H     10.56946756      7.31403735    -14.44519536
  O     13.15029569      6.07789908    -12.28927096
  H     18.46834983     11.39031039    -14.31352694
  H      9.16485259      7.87440101    -14.11083572
  O     17.94183782     10.24613850    -17.24103343
  H     18.70497975     12.79594442    -14.90892256
  H     12.25317726      5.93604538    -15.46096366
  O     14.90433941      6.47223424    -10.05816589
  H     14.34102345      5.90848092    -16.80961193
  H     12.13621873      5.76846752    -13.92148283
  O     17.66950891      7.95094332    -15.77885236
  H     13.16486116      5.56375159    -17.75129558
  H     17.92194261     10.14796154    -12.65883955
  O     16.00310621      5.69776368    -16.34669144
  H     12.82093740      8.81828268    -10.71934402
  H     19.10817462      9.33758152    -13.20108837
  O     19.16967783      7.40258099    -13.55668338
  H     13.90673665      8.14734658     -9.85608830
  H     17.88329875      7.11536299    -12.19057255
  O     15.32069638     11.83747686    -15.14719731
  H     12.85720526      6.99646612    -12.39614104
  H     16.73986498      8.05513844    -11.76594231
  O     15.25967651      8.47270992    -14.45037584
  H     13.61902682      6.05341014    -11.44648410
  H     14.38549825     11.98869357    -10.16248472
  O     10.08301334      8.11799825    -14.18736477
  H     17.05000937     10.43134907    -17.56235104
  H     13.97728228     10.51206925    -10.39084279
  O     11.63215362      5.95531182    -14.72273364
  H     18.10623975     10.89584612    -16.54505400
  H     14.73504545     11.19490668    -18.54916736
  O     18.80382568     10.23832755    -13.04933187
  H     15.72167638      6.65551684    -10.54873423
  H     14.64508010     10.05959197    -17.50587414
  O     17.05733112      7.14080733    -11.69160007
  H     15.15215436      5.93271897     -9.31070898
  H     11.38513348      8.54683109    -12.92863428
  O     14.32286713     11.31046518    -10.82908708
  H     17.88296556      8.68352144    -16.37414879
  H     12.66156695      9.42591412    -12.88237930
  O     15.20135362     10.79228889    -17.82086193
  H     16.85723597      8.21110283    -15.32180971
  H     14.00547332     11.35247178    -14.05835950
  O     12.21706570      8.67944936    -12.45799566
  H     16.66669257      6.39677691    -16.38758554
  H     13.53011421     11.34517502    -12.58404681
  O     13.28193655     11.07341403    -13.47469623
  H     15.89263681      5.51538178    -15.40139265
  H     13.45655955      7.93059568    -16.88246958
  O     13.63976015      8.85996524    -16.70450659
  H     19.96890793      6.93182769    -13.77848894
  H     12.83830152      9.28409235    -16.35930915
          69
 Energy    -248.37100556423553     
  O     12.20065472     11.16464327    -14.22733195
  H     12.68048958     10.73840497    -14.94724307
  H     15.47903070      6.30114007    -15.50042968
  O     16.03767556      6.70150186    -13.78768032
  H     12.74342866     11.91506321    -13.95682134
  H     19.61642991      9.15830346    -13.87029269
  O     17.73307889     10.41473544    -11.09633049
  H     16.90865673      6.46294782    -13.44772964
  H     19.33043359      8.48168895    -15.23101288
  O     17.74228062     11.09802168    -15.25848136
  H     15.41262181      6.67708369    -13.04974610
  H     16.20711521     12.03576144    -15.70477578
  O     12.53446325      7.42717827    -16.21516951
  H     17.68929519      9.47961091    -10.84522349
  H     14.79364498     11.62236512    -16.17091903
  O     14.51025045      8.53091295     -8.35898140
  H     16.83302761     10.69679709    -11.29790249
  H     15.96594145      8.48898456    -14.05078244
  O     14.18960722      6.80118180    -11.71362946
  H     18.15457601     10.52382717    -15.91770151
  H     16.53099674      9.88470557    -14.51401511
  O     15.13292969     11.03696371    -12.02291413
  H     18.35788978     11.16454417    -14.51645011
  H     10.20913736      9.79966553    -12.20747476
  O     16.19808811      8.54246002    -17.53175634
  H     12.34826962      7.28939479    -15.26898849
  H     11.46824029     10.15275252    -13.03783244
  O     15.51817615      6.18199646     -9.31392866
  H     11.78519582      7.08589990    -16.69604148
  H     18.02505305      7.18361300    -11.25586848
  O     18.75476309      9.10938060    -16.93497925
  H     15.03098440      9.26284844     -8.03447352
  H     16.98886691      7.15292021    -10.11403875
  O     15.16033757      6.26047010    -16.41316565
  H     14.04257025      8.86404709     -9.14217309
  H     12.75540449      6.84744111    -12.95694044
  O     19.56729561      8.30198926    -14.31338676
  H     14.59612014      6.39399382    -10.93930144
  H     11.65641391      7.91162844    -13.14955726
  O     15.31248785     12.37240783    -15.85652176
  H     13.95623893      7.69982360    -11.44017018
  H     18.86588289     10.72449734    -12.33267020
  O     15.76548999      9.42955296    -14.14023656
  H     14.81528246     11.85538562    -12.42101689
  H     20.20571418     11.38023185    -12.74510382
  O     11.11564430      9.54753467    -12.36007914
  H     15.33395083     10.43530139    -12.75831986
  H     19.01013407      6.98811680    -13.35689265
  O     17.64848433      7.71018061    -10.54000736
  H     15.47144764      9.12637540    -17.30049356
  H     19.21406837      5.53623388    -12.86069325
  O     12.07153666      7.14750898    -13.56825017
  H     15.91862523      7.66354737    -17.23071463
  H     12.55329309      9.42944555    -11.19626247
  O     19.47181244     10.87442756    -13.08194318
  H     15.54421625      5.49416793     -8.65442512
  H     14.00720928      9.98336683    -11.15525927
  O     18.62299684      6.28199840    -12.80741066
  H     15.15496173      6.97413799     -8.87953345
  H     14.57800437     12.97583865    -14.39728908
  O     13.40883463      9.33074410    -10.76158356
  H     17.84740696      8.86208030    -17.19209132
  H     14.04145159     14.12312184    -13.50817614
  O     14.11674228     13.17457524    -13.56208102
  H     19.27816654      9.09502306    -17.73143469
  H     14.53040747      9.66781410    -15.40154472
  O     13.91974616      9.86004190    -16.13291814
  H     14.23235206      6.52166675    -16.37892617
  H     13.39865710      9.05799908    -16.27342053
          69
 Energy    -248.37091674046496     
  O     11.98417531     11.96587307    -13.62110981
  H     11.54010038     11.12048805    -13.57712556
  H     20.60724951      8.60767711    -14.23990849
  O     20.14965199      8.26288807    -11.03610546
  H     12.16891360     12.21013706    -12.70186101
  H     17.42569852     12.76902388    -15.80337324
  O     17.18686733     11.27434150    -11.54090249
  H     19.29482715      8.50119745    -10.65316482
  H     18.34416822     12.69286794    -14.57338088
  O     12.73609727      7.14173665    -11.97943034
  H     20.00915131      7.43095592    -11.50455525
  H     12.70553499      6.16812545    -15.01532739
  O     16.90675410      6.63815667    -12.17449053
  H     17.86570764     11.32801219    -12.22754599
  H     13.03129940      6.90576262    -13.70415934
  O     14.84059611      5.89013098    -10.50987768
  H     17.33393465     10.45013161    -11.05585029
  H     15.85305835     10.63766305    -12.56424979
  O     19.56171414      6.07340198    -12.82115140
  H     12.78106146      8.04334852    -11.63543224
  H     14.86235455     10.97282236    -13.71716753
  O     14.37593233     12.29725327    -14.92459756
  H     13.36691225      6.63171268    -11.45607409
  H     14.88104269      7.54004463     -9.48407319
  O     17.79754645      9.39447259    -15.47784151
  H     17.79395660      6.33612648    -12.40465884
  H     14.37815032      8.96632231     -9.74866373
  O     17.45272970      8.77001675    -10.40319425
  H     16.51708497      7.03510246    -12.96738290
  H     20.91206814      9.32970363    -12.17920555
  O     16.29813330     11.47000284    -16.72460621
  H     15.59226516      6.07782600    -11.09683673
  H     22.16408627     10.08750647    -12.68618198
  O     20.09981702      7.93710170    -14.71401393
  H     14.97683088      5.01271385    -10.16171449
  H     16.56485667     14.16011845    -14.27552327
  O     17.82703021     13.30817999    -15.11155546
  H     19.74807169      6.68458434    -13.55674866
  H     15.73205595     15.44808479    -14.06908460
  O     13.30510852      6.80191021    -14.63221870
  H     20.06066424      5.27905476    -12.99066645
  H     15.45386172     13.80389343    -12.14136309
  O     15.13570295     10.27953587    -13.10520609
  H     14.75288131     13.11246841    -14.56715997
  H     15.97950103     12.65080740    -11.26362185
  O     15.00150601      8.45854541     -9.21272502
  H     13.46927876     12.22698788    -14.59193737
  H     12.32532045     13.06150574    -10.26352872
  O     21.26993430      9.85402845    -12.91875295
  H     17.33521490     10.04859526    -16.01521604
  H     13.63415067     12.82050248    -11.05297083
  O     15.75404127     14.51605845    -13.86927960
  H     17.11748604      8.79475513    -15.13645507
  H     18.54875161     10.54623722    -14.25456689
  O     15.26758307     13.30064405    -11.33978036
  H     16.67999407      8.74665108     -9.82012714
  H     19.81569705     10.85761645    -13.41102667
  O     12.70929685     12.52846746    -10.95410240
  H     17.29342853      8.07977012    -11.06112081
  H     13.92579923      9.88125641    -11.81966760
  O     18.95376921     11.20469758    -13.67163173
  H     15.54955694     11.70563213    -16.15100319
  H     12.98280648     10.64623094    -10.88051073
  O     13.29672711      9.76059524    -11.09240819
  H     15.98208418     11.53021943    -17.62296672
  H     15.51971352      8.75432218    -13.87753838
  O     15.77326999      7.92855574    -14.31978947
  H     19.35631201      8.39843516    -15.12372150
  H     14.95052632      7.47962340    -14.55995315
          69
 Energy    -248.37087154520634     
  O     15.99104500     10.87414641    -15.60244356
  H     15.05119661     10.77485506    -15.37671380
  H     16.48928623      4.14858753    -16.31464488
  O     14.17705193      5.98062526    -15.76137958
  H     16.08472451     10.42320636    -16.44737526
  H     18.22339965      6.86106981    -15.66624104
  O     18.18540767      7.81397708    -12.08866512
  H     14.61411498      5.30643903    -16.29870448
  H     19.36145345      6.58415917    -16.69674686
  O     19.52078864      6.71785518    -18.52905070
  H     13.79899602      6.65110147    -16.34440487
  H     19.06014630      8.62222927    -18.50642386
  O     16.87342174      6.17247111    -18.80494548
  H     18.98675420      7.98025538    -12.59751176
  H     18.82978976      9.81724650    -17.54754230
  O     14.18591998      8.43020956     -9.76750241
  H     17.52638799      8.43176430    -12.44373756
  H     15.77501779      6.89893739    -15.38687309
  O     14.22676163      5.95505970    -13.02257539
  H     20.06099669      6.32734905    -19.21061517
  H     16.47023892      8.08334051    -14.64735754
  O     16.31913512      9.34399415    -13.32445064
  H     18.59976465      6.46230639    -18.71753450
  H     13.25965965      9.40569008    -15.68178616
  O     17.62003550      4.27175318    -15.00892860
  H     16.49526531      5.48335792    -18.24429504
  H     13.36491403      9.60980593    -14.15085761
  O     13.72086937      5.62809189    -10.27644618
  H     16.44277473      6.99998191    -18.56466658
  H     15.30392510      4.95428362     -9.91617823
  O     18.92519004     10.37942354    -15.81382083
  H     15.12796626      8.18939590     -9.70959916
  H     16.29159734      3.98866677     -9.21603739
  O     15.85005108      4.17019733    -17.05052145
  H     13.99404917      8.97129731     -9.00626037
  H     14.29374834      8.50474405    -17.56243483
  O     19.13506679      6.54027048    -15.75910386
  H     14.05917665      5.84974236    -13.96818383
  H     12.81669948      8.41203897    -18.00978275
  O     18.58154881      9.45289897    -18.41132045
  H     15.16055844      5.74663908    -12.87632884
  H     21.10263591      8.44229323    -14.03069827
  O     16.55256785      7.47011038    -15.38870553
  H     16.25339191     10.00217989    -14.02882191
  H     19.89577779      7.69153032    -14.64180840
  O     13.42436481     10.06628607    -15.00024587
  H     15.42366873      9.17838476    -12.99786861
  H     17.40351883      6.16778951    -12.39613719
  O     16.24520431      4.71988519     -9.82547051
  H     18.31394095      4.89557563    -15.25806586
  H     16.78094093      4.99067852    -11.60246102
  O     13.40737459      8.21645491    -17.28609574
  H     17.36121201      4.52062954    -14.11160204
  H     17.37079865      7.70966355    -10.39557308
  O     20.14954923      8.39595799    -14.02107049
  H     13.70570667      5.63830983    -11.24380223
  H     16.70186610      6.58333138     -9.58735443
  O     16.91111419      5.34056008    -12.49317597
  H     13.71401165      6.55539697    -10.00881111
  H     13.79405507      8.71368778    -11.57411237
  O     16.76137514      7.54346923     -9.66473560
  H     18.07663326     10.73131014    -15.52713700
  H     13.85640167      7.70602184    -12.74211868
  O     13.76495349      8.64829164    -12.53718955
  H     19.25971921      9.82446521    -15.10088029
  H     16.88855564      9.09863562    -18.12818424
  O     16.05312219      8.78950146    -17.74400751
  H     15.71533295      3.26730229    -17.32607398
  H     16.27758907      8.36156912    -16.90158804
          69
 Energy    -248.37077028370743     
  O     12.70992815      2.37238690    -12.40105395
  H     12.73620725      3.21748014    -12.86429186
  H      8.15934805      7.85550252    -11.44654607
  O     11.15817871      1.14768398     -8.20685319
  H     11.86090033      1.97104606    -12.62416859
  H     12.23241141      5.46238968    -10.28878725
  O      8.81518312      6.52068095    -14.55071810
  H     10.71966173      1.90746464     -7.78155478
  H     12.14793820      3.99733388     -9.76956440
  O     10.91716867      5.86262728     -7.39883469
  H     11.27321710      0.48453726     -7.53151020
  H     12.79636279      6.14013990     -7.10381441
  O     10.06641394      1.38444431    -12.90187813
  H      8.99528172      5.61651724    -14.26170101
  H     14.12492875      5.40689523     -7.42987923
  O     13.12565321      2.47652832     -9.69272093
  H      9.68162970      6.91855215    -14.69707921
  H      9.93097148      1.04753095     -9.63701838
  O     12.40630353      5.07282297    -13.46135596
  H     10.51884495      6.71748747     -7.59973088
  H      8.63631539      1.81018303     -9.95616104
  O     11.18912072      8.45458695    -11.98628672
  H     11.20786326      5.49682878     -8.25017548
  H     15.32327217      8.31617039     -9.01238415
  O      7.21282681      8.03577079    -12.93009921
  H      9.76028834      1.28677531    -11.98243237
  H     14.20895999      7.40438607     -8.44447691
  O      7.72625949      3.29849487     -9.17241583
  H      9.83478874      0.57926298    -13.35673547
  H     14.28841938      3.30701017     -8.59083985
  O      9.76060461      4.11091647    -13.44182024
  H     12.49216885      1.90823732     -9.23584193
  H     15.62254132      3.31693346     -7.83192808
  O      8.80051545      7.61002331    -10.76347103
  H     13.04585619      2.33926468    -10.64886005
  H      9.24111287      4.61666333    -11.78693915
  O     11.66348511      4.82971017     -9.83092509
  H     12.18328338      5.81309853    -14.03955340
  H     10.03586618      4.81921090    -10.46974387
  O     13.73935254      6.27709925     -7.25009537
  H     12.81126550      5.48529409    -12.68520707
  H     12.50226364      7.25891235    -11.51356846
  O      9.26790137      1.18155905    -10.32539359
  H     10.32943371      8.15019363    -11.66684295
  H     13.74640362      7.04550966    -10.61221794
  O     14.44033903      7.99992258     -9.18103112
  H     11.54922841      9.01493976    -11.28181993
  H      9.01551978      3.32468706     -7.75557308
  O     14.81760073      3.81369212     -7.95548168
  H      6.53628889      8.46994596    -13.44150290
  H     10.14342460      4.16529551     -7.10851620
  O      9.15086866      4.88019104    -10.86203952
  H      7.72417098      7.49780891    -13.55921438
  H     11.41686245      9.19850068     -9.09327372
  O     13.17906727      6.61350276    -11.26312762
  H      6.79827974      3.51747561     -9.16553069
  H     12.92536782      9.11891307     -9.42062632
  O      9.80444740      3.26577431     -7.20242695
  H      8.15700831      3.91473783     -9.79021434
  H     11.89297378      8.20402911    -15.13478031
  O     12.10259676      9.55965879     -9.66858812
  H      9.77866499      3.14849066    -13.36740516
  H     11.39648846      7.96127605    -13.69187008
  O     11.49110711      7.55004726    -14.56831599
  H     10.68192539      4.40891588    -13.43479404
  H      9.23719558      8.91279560     -7.85565735
  O      9.84154917      8.34539383     -8.32909472
  H      8.86709127      6.64457697    -10.77636287
  H      9.41058410      8.12463773     -9.17238475
          69
 Energy    -248.37072963439459     
  O     13.01298458     12.01973904    -11.55716609
  H     13.26081769     11.69215318    -10.67990157
  H     13.05541522      8.31425609    -13.22577565
  O     13.79923347      8.51237853    -17.11505547
  H     13.70204656     12.63325424    -11.84252730
  H     11.49624086     11.31026228     -6.60344014
  O     10.98863276     11.03404689    -15.24078662
  H     13.73138404      8.27490937    -18.03569859
  H     11.16970919     10.41868343     -7.82940790
  O      8.56143850     11.51960485    -10.61205304
  H     12.93354914      8.32432307    -16.71005803
  H     14.83967326      7.35291050    -10.61612041
  O     15.24586756     13.50497546    -12.36385687
  H     10.60356444     11.64935999    -15.86042492
  H     16.06381926      7.84629198    -11.41013714
  O     15.91658819      7.86463437    -15.32081384
  H     11.95101692     11.07300259    -15.37184892
  H     15.58666331     11.47997780     -9.84677978
  O     15.99695879     12.25838921    -14.65561817
  H      7.70752447     11.47284678    -11.03547147
  H     16.04498042     12.39573880    -11.00285445
  O     16.59430520      9.48463688    -12.00131086
  H      9.21674822     11.42779397    -11.32240360
  H     11.09092077      9.10036945    -15.62968713
  O     12.58258997      7.95184929     -7.08065848
  H     15.54982212     13.08450980    -13.18773001
  H     11.73003061      7.87125654    -14.95051288
  O     13.72433926     10.84719815    -15.53605232
  H     15.45250149     14.43282449    -12.43772790
  H     12.66307966      8.28030023    -10.21861930
  O     13.99903703      9.82296247    -12.99559208
  H     15.60096893      7.17204355    -14.72762187
  H     13.21040122      7.96007520     -8.79290596
  O     12.56570590      7.48895026    -13.37284514
  H     15.21651859      8.01018076    -15.96814169
  H     11.48669391      7.99707174    -11.95224744
  O     11.87974625     10.69039776     -7.21719751
  H     15.21210121     11.92346316    -15.10828406
  H     10.92205948      9.39805175    -11.65242192
  O     15.55321470      7.05301953    -11.19508582
  H     16.62215550     11.52285396    -14.65150904
  H     15.07790801      4.97105817    -13.50261955
  O     16.34345804     11.69784815    -10.40715461
  H     16.63702347     10.25846128    -11.42003376
  H     15.15356004      6.26051983    -12.64873906
  O     11.43971998      8.21975424    -15.80670197
  H     17.08863641      9.67358957    -12.80688868
  H     11.39832238     11.51639998    -12.11622258
  O     13.47145476      8.17733013     -9.69904094
  H     12.36972145      8.89209102     -6.98487819
  H     10.66016127     11.05231783    -13.40520311
  O     11.14147650      8.55139197    -11.23935659
  H     11.81650400      7.48030083     -6.75906130
  H     10.33955759      9.22011644     -9.62831299
  O     14.87937256      5.90294241    -13.51470864
  H     13.84115227     10.14039613    -16.18308886
  H      9.42122109     10.43540790     -9.40716651
  O     10.60413502     11.06606463    -12.44280904
  H     13.88390439     10.45253393    -14.66258713
  H     17.00466549      9.15137314    -14.89204189
  O     10.01345591      9.82282904     -8.94914427
  H     13.63007211     10.54512266    -12.47245414
  H     18.44556220      9.71081454    -14.96115161
  O     17.57867107      9.88470677    -14.60425200
  H     14.88996382      9.65368978    -12.66191422
  H     13.88306917      9.93924431     -9.42225636
  O     13.89135521     10.88238645     -9.20137105
  H     13.23577814      6.79819270    -13.43519821
  H     13.28886071     10.97779877     -8.45465012
          69
 Energy    -248.37041028395760     
  O     -8.43898812     -2.06380863      5.68871983
  H     -8.99773301     -1.33852623      5.99476858
  H     -3.06608842      1.10587362      1.89315934
  O     -9.36079834     -2.35083084      3.11022319
  H     -7.53426633     -1.83826881      5.93191760
  H     -7.09501350     -0.27743715      3.08096445
  O     -5.66894128      0.86797053      0.05007574
  H     -9.04131522     -2.48305941      4.01718245
  H     -7.07202124      0.82441179      4.19683314
  O     -6.30602399      1.31760912      5.80494288
  H     -9.81225515     -1.49737410      3.15764510
  H     -5.16572988     -1.44571304      5.46087982
  O     -4.66546503      5.24062484      0.85457968
  H     -5.98703757      0.00498950     -0.24053099
  H     -5.17947621     -1.82585896      6.96097790
  O    -10.52766732      1.04566028      0.90458970
  H     -6.45178480      1.35892317      0.33827080
  H     -0.80323938      2.22804858      1.19640249
  O    -10.27342850      0.12475576      6.28566822
  H     -5.60692332      1.80218424      5.34450330
  H     -1.98906789      3.01934947      1.80156724
  O     -4.45593010     -1.49945538      3.89182207
  H     -5.97455431      0.45180961      6.07464475
  H     -8.65058908      5.47555410      4.71715536
  O     -3.91619419      3.01041151     -0.50164418
  H     -4.43237624      4.46947001      0.30650795
  H     -7.89842879      4.47204341      3.83721601
  O    -10.21377433      0.31393901      3.50614514
  H     -4.62810193      6.00410818      0.28479882
  H     -7.59823721     -2.23352621      2.60180682
  O     -6.84983442     -1.64004105     -0.45167272
  H    -11.37449980      1.42340858      0.68134475
  H     -6.65421275     -1.92578729      1.40456444
  O     -3.87928435      0.70426687      2.22425918
  H    -10.55019837      0.84893315      1.85795009
  H     -9.52716221     -1.99387540      1.18497958
  O     -7.45761139      0.57644448      3.34817086
  H     -9.77977619      0.96500523      6.33754978
  H     -9.86524546     -0.69100764      0.42324154
  O     -5.66451929     -1.34928013      6.29271243
  H    -10.88662647      0.12043384      7.01499935
  H     -8.83505551      3.13404836      5.69306339
  O     -1.75487871      2.26714326      1.22837836
  H     -4.10927192     -0.75631414      3.38252574
  H     -7.89794685      2.04789648      6.25223242
  O     -8.58413725      4.54420175      4.51731655
  H     -5.18350479     -1.84893690      3.35674545
  H     -3.31432445      3.82636649      3.38256017
  O     -6.69831099     -1.96847397      2.36676057
  H     -3.10115128      2.72206155     -0.07205823
  H     -3.31884217      4.77697668      2.17489537
  O     -9.44301292     -1.55370297      0.33002190
  H     -4.51895810      2.25611645     -0.46205220
  H     -4.45888614      1.97307757      3.41238450
  O     -8.81148867      2.36663591      6.27877525
  H     -9.25285420      0.44979523      3.50066797
  H     -5.41699093      3.18964449      3.55984336
  O     -2.73143242      4.28975962      2.76589832
  H    -10.45925102      0.27255157      4.43819591
  H     -8.79647804      1.88660075      0.90962355
  O     -4.71828057      2.69198643      4.00739520
  H     -7.80630684     -1.59710875     -0.27136532
  H     -7.70042049      1.58335820      1.95682668
  O     -7.89034662      2.10078097      1.15492458
  H     -6.72448284     -2.31102010     -1.11765714
  H     -7.12415065      3.53236147      1.96533619
  O     -6.63954445      4.15384646      2.52751650
  H     -4.50735788      0.70090865      1.48908994
  H     -6.02025457      4.62659117      1.95712544
          69
 Energy    -248.36987686414531     
  O      9.70569354     11.19894961    -11.21253424
  H      8.89729404     11.65228862    -11.43695614
  H     15.66967483     12.73741539    -15.83608522
  O     14.85344781      9.62338736    -15.49422358
  H     10.37649651     11.48434063    -11.85652161
  H     16.82855767      9.44807530    -10.37082394
  O     10.34715590      8.42325840    -11.01088138
  H     15.01544347     10.26308003    -16.19745796
  H     15.60331939      8.50878290    -10.55713834
  O     13.96260543     11.95311959     -8.89312158
  H     15.37855756      9.91779929    -14.73771042
  H     13.93773926      9.30219122    -11.59154414
  O     14.96989690     11.86689238    -17.31989175
  H     10.02513158      9.33212237    -11.06247998
  H     13.33948209      7.99001788    -12.16302431
  O     11.74216734      7.58110813    -13.17815831
  H     10.91766925      8.38172014    -10.23344969
  H     14.46202762     15.00688384    -11.18758895
  O     12.48607972      8.61116212     -9.11114375
  H     14.34595078     11.20610335     -8.41752544
  H     15.20403892     15.35017436    -12.48275416
  O     13.99287955     11.09893230    -11.58084552
  H     12.99848542     11.84456482     -8.85372334
  H     17.73911646     11.68124991    -11.06586434
  O     11.36886404     11.21834965     -8.90957816
  H     14.03169047     12.00653939    -17.09669991
  H     18.89629019     10.65826762    -11.15227165
  O     17.31713720     13.36482294    -10.96123761
  H     15.03660287     11.90777017    -18.26965448
  H     14.07463329     13.51129669    -14.43329009
  O     11.69950235     11.82716691    -12.95781612
  H     11.48802693      6.69449671    -13.42060476
  H     13.42453475     14.41941129    -13.38609885
  O     15.84293766     13.06539144    -14.94557954
  H     11.17524910      7.84284118    -12.43080446
  H     14.66388395     13.51353686     -9.22675551
  O     16.25297685      8.82272478     -9.91450802
  H     13.17168436      8.81059788     -8.46319053
  H     15.07201447     14.91623046     -8.72462454
  O     13.94572872      8.33670770    -11.49962638
  H     12.96779115      8.43236936     -9.93227191
  H     16.86304078     10.73975489    -12.73348159
  O     14.32245914     15.31579483    -12.09038694
  H     13.16482782     11.40085595    -11.97539531
  H     15.34842146     11.01718364    -12.71956626
  O     17.94806932     10.74062736    -11.21177954
  H     14.02099335     11.40937684    -10.66842039
  H     12.49895506     12.88421834    -15.69803497
  O     13.21490976     13.80616985    -14.10607810
  H     11.65654174     10.29513162     -8.94068303
  H     12.18874305     11.39289664    -15.94845895
  O     15.08780438     14.34769390     -9.49058545
  H     10.72409138     11.31638131     -9.61938210
  H     15.26068765      9.26184017     -6.92790003
  O     16.10461859     10.87967001    -13.31077413
  H     17.28038884     13.90645297    -11.75898964
  H     15.40980936      9.25219066     -8.46958458
  O     12.43731654     12.21505034    -16.39100368
  H     16.61097496     13.69447672    -10.39227092
  H     17.45453043     15.59822780    -13.76436802
  O     14.83739469      9.54070696     -7.73492306
  H     11.82645908     11.10698340    -13.59459112
  H     16.58113574     14.33849224    -13.96252849
  O     16.91476104     14.96509223    -13.29803765
  H     12.14231449     12.60747091    -13.32024412
  H     13.14655671      9.71981994    -15.03643611
  O     12.21896098      9.84239564    -14.77834113
  H     15.99276667     12.29096842    -14.38106390
  H     11.95640242      9.03045593    -14.32865361
          69
 Energy    -248.36986785442383     
  O     18.26778123      9.09585192    -17.88897298
  H     18.01315193      8.26575762    -18.31416009
  H     16.36211089      7.34628160    -15.08401970
  O     14.72965582      6.72804089    -12.47804152
  H     17.62815918      9.77575797    -18.14691119
  H     17.92048218      6.75288890    -12.12179094
  O     17.41037818     13.96622177    -12.75625920
  H     15.62279552      6.77822794    -12.08626708
  H     17.35470819      8.00426781    -11.39338360
  O     21.06191389      8.43187513    -13.88785147
  H     14.24068257      6.08644667    -11.97050605
  H     19.77499111      8.41235578    -16.97106220
  O     15.04225928      6.79333847    -17.71675547
  H     17.91679495     13.56681901    -13.47398791
  H     19.70465141      7.06424830    -16.24594135
  O     14.36017194     12.25408508    -11.83549166
  H     16.53854734     14.15433620    -13.12607660
  H     17.80365814      9.28895876    -14.72921266
  O     14.58296344      9.55113147    -12.60446241
  H     20.87130071      8.25131258    -14.82787268
  H     17.54852918      8.95028074    -16.22540765
  O     18.58025588     12.56579458    -14.94494735
  H     22.00431383      8.34976353    -13.77292552
  H     16.14136558     11.62832805    -17.61882403
  O     19.19687584      6.30589775    -13.32079159
  H     15.18091896      6.61964345    -16.77487251
  H     15.42338045     10.43658916    -18.27153001
  O     14.79205897     10.23420899    -15.27143548
  H     14.58530106      7.64033666    -17.77669314
  H     17.15553031     10.75043760    -11.08716984
  O     18.37217297      5.72788315    -16.07739353
  H     14.28338097     11.30962183    -12.02373036
  H     16.29297075      9.79112502    -11.94293924
  O     15.87887067      6.50461186    -15.05911420
  H     15.12230912     12.34405791    -11.25034183
  H     12.94833707      9.61475986    -17.87803895
  O     17.21236782      7.06160526    -11.53714192
  H     14.48911845      8.59301235    -12.53918532
  H     14.05925948      9.66549967    -16.80421162
  O     20.27437585      7.83378576    -16.38136997
  H     14.55070594      9.77706358    -13.54557149
  H     17.17568237     12.96939708     -9.73504340
  O     17.15961375      8.91461173    -15.34109386
  H     18.75137356     11.72226633    -14.49259006
  H     17.16750861     13.05316357    -11.28114072
  O     16.24645021     10.93981215    -18.28640017
  H     19.34160397     12.74489766    -15.49138859
  H     19.72146274      9.63086765    -13.60266740
  O     17.17800485      9.91510563    -11.57023256
  H     19.00908875      5.96976008    -14.20384967
  H     18.41236198     10.08314203    -12.84453315
  O     13.86077449      9.38858003    -17.71449914
  H     19.89506189      6.96194601    -13.42947555
  H     14.10031615     14.75883873    -13.75684384
  O     16.90750063     12.50195749    -10.52134355
  H     15.61160267      9.71402557    -15.30661064
  H     14.53073988     13.40776255    -13.13842462
  O     18.94898660     10.20908738    -13.64068756
  H     15.06590534     11.14142480    -15.46146353
  H     16.85991155     12.62049722    -15.64957517
  O     14.75114927     14.06516799    -13.82290973
  H     18.20145234      5.81613702    -17.02358468
  H     15.48274229     13.24472696    -15.32805460
  O     15.94145553     12.66438260    -15.94985727
  H     17.50321742      5.83099791    -15.66268724
  H     17.52604268      6.02978295    -19.55440766
  O     17.52343384      6.49433647    -18.72212205
  H     15.42048219      6.47576307    -14.21272907
  H     16.59301551      6.56466126    -18.43934900
          69
 Energy    -248.36980863732816     
  O     19.12686565     10.04935685    -14.31821375
  H     19.66517283      9.29081912    -14.04649677
  H     20.68541817      6.97273643    -13.90953647
  O     20.57055931      7.28805813    -10.68905270
  H     18.71642481      9.80010034    -15.15441733
  H     19.00304960      3.43630085    -13.36346980
  O     15.69323324      8.53407167    -10.51168132
  H     19.77473329      7.54455301    -10.21073687
  H     20.18386181      4.30601406    -13.86885434
  O     13.01835648     10.36467366    -13.73045496
  H     20.65910460      6.33207568    -10.57966512
  H     15.85278707      9.24909808    -14.08413163
  O     17.49447791      9.13177083    -16.54712433
  H     14.81199366      8.93508698    -10.51476671
  H     14.87395033      8.25870458    -14.78267336
  O     11.61690615      7.85623590    -14.07048984
  H     16.16617688      8.92210972    -11.26424535
  H     17.85607167      6.09892858    -12.00725473
  O     17.89951671      5.21252617    -10.32049383
  H     13.81223065     10.03925392    -14.18292301
  H     18.70246804      6.92044882    -13.03440396
  O     14.38170305      6.26120657    -11.67580926
  H     12.85203845     11.24149271    -14.06869638
  H     14.23466420      6.50565378    -13.46814755
  O     20.55366377      4.43056319    -10.62120942
  H     16.66721758      9.14984404    -16.04046214
  H     13.16612854      6.97117306    -14.47882525
  O     15.77202775      3.92104617    -11.48686638
  H     17.33413375      9.63385611    -17.34317347
  H     18.05021494      8.15234002     -8.34743319
  O     17.21244321      2.97282691    -13.82445925
  H     11.92757844      8.76737509    -14.00063873
  H     17.16408205      8.07442813     -9.60642469
  O     20.32276337      7.69682421    -13.38647786
  H     11.49020708      7.55859430    -13.15990648
  H     21.44517805      5.38072620    -15.79651764
  O     19.88648482      3.75077458    -13.13735079
  H     18.79759481      4.85697717    -10.31445977
  H     19.98559388      5.87606603    -15.66046988
  O     15.26744013      9.14086146    -14.85031147
  H     17.90751325      6.02690935     -9.80086398
  H     12.55689724      8.75458309    -10.98492497
  O     17.80963188      6.61349280    -12.82113460
  H     14.91607150      6.94143316    -11.24902713
  H     13.11685167      9.89014910    -11.85406167
  O     14.08193287      6.66767354    -14.41123808
  H     14.82546481      5.40482447    -11.58449166
  H     15.57380080      5.72296682    -14.88501380
  O     17.99700621      7.76011783     -9.21574690
  H     20.36767683      4.15039087    -11.53662874
  H     16.93683341      5.83023894    -14.14962822
  O     20.75422148      5.54560391    -15.16050806
  H     21.13888659      3.77926602    -10.24530383
  H     18.26324001      7.38510838    -16.52268372
  O     13.16128604      9.50702699    -10.96951491
  H     16.18529378      3.48251650    -12.23808759
  H     17.77547304      6.01338591    -16.03017602
  O     16.47613033      5.37940841    -14.87709232
  H     16.50453138      4.26562822    -10.95409243
  H     12.66185344      6.65806085    -11.41278503
  O     18.53813358      6.46740828    -16.41380730
  H     16.90493473      3.76609721    -14.29579183
  H     11.27477228      6.43753046    -10.76813723
  O     11.76645523      7.02960680    -11.33121711
  H     16.95777260      2.22225168    -14.35578896
  H     17.77143424      9.70839141    -13.18734171
  O     17.03185077      9.25041571    -12.76321765
  H     20.57376763      7.58869867    -12.45627715
  H     17.25781279      8.30708124    -12.76854662
          69
 Energy    -248.36978068383092     
  O     12.94023350     11.69060839    -12.76421150
  H     12.93365775     11.75271476    -13.72609527
  H     20.14562812      6.84561508    -15.97285091
  O     15.09850454      6.50163777    -14.45055246
  H     13.81597299     11.37128719    -12.51177911
  H     18.37033172     10.77243694    -15.40521041
  O     17.68242605      8.78516716    -11.93096097
  H     15.99586031      6.29611907    -14.15963230
  H     18.63679861     11.97511431    -16.33767846
  O     12.21051192      8.92882587    -15.56199536
  H     15.07042756      7.46900174    -14.51332695
  H     15.15616335      9.80090317    -15.24956856
  O     15.12332163      7.04770279     -8.90712408
  H     17.78501041      8.38947876    -11.05652018
  H     13.86604624      9.09180307    -14.80110367
  O     13.34339283      6.39042471    -12.27943059
  H     16.88159938      9.32721244    -11.90683858
  H     11.80175089     10.73302115    -11.84223462
  O     15.26885748     10.16307471    -12.03955768
  H     12.14446277      9.88777698    -15.61587290
  H     10.60216135     10.62069103    -10.86956605
  O     15.33038221      8.73218387    -18.37460581
  H     11.73011830      8.62297625    -14.77545326
  H     17.45358130      5.37489106    -11.96843183
  O     14.63161842      4.67086226    -10.45367999
  H     14.53620734      7.68478336     -9.33733457
  H     17.54903342      5.76626607    -10.48538489
  O     18.01646783      8.66074979    -17.44210852
  H     14.88377544      6.18892961     -9.27656908
  H     11.79528090      7.32585978    -12.89325460
  O     13.79965590      7.05466919    -16.91924599
  H     13.67567778      5.72098763    -11.66807798
  H     11.09585238      8.66517097    -12.55535701
  O     19.37185544      7.23395349    -15.57335107
  H     13.92245435      6.36581023    -13.05400794
  H     19.29473659      8.89862510    -14.59260429
  O     18.03422945     11.25215872    -16.18422569
  H     14.70954594      9.64447327    -11.44301323
  H     18.64078327      9.51196929    -13.33948858
  O     14.79452001      9.22974110    -14.56305753
  H     15.11457412      9.81561653    -12.93288795
  H     17.65401513      7.25454920    -12.96660499
  O     11.26605659     10.10776580    -11.32176659
  H     15.11069787      8.61662413    -19.29523204
  H     18.30163803      6.58405607    -14.20605686
  O     17.24446971      5.06669124    -11.07626679
  H     14.79439272      8.08850889    -17.87733643
  H     18.25408077      7.51705433     -8.67725762
  O     11.17853548      7.98601134    -13.23579713
  H     15.56766932      4.73778865    -10.71580665
  H     16.81280029      7.33386210     -9.20935878
  O     19.03816679      9.73739618    -14.19081596
  H     14.48449820      3.76699360    -10.18857704
  H     15.28539909     10.27427473    -17.35295095
  O     17.69384208      6.42948151    -13.47299599
  H     18.08478724      9.57375870    -17.13707194
  H     16.23773315     11.19729524    -16.53059210
  O     17.74674235      7.40855357     -9.47701559
  H     17.12737070      8.57007083    -17.80451672
  H     12.69192642      9.08891263    -10.66594358
  O     15.30935573     10.98037520    -16.69150107
  H     14.23124757      6.63217168    -16.16579313
  H     13.45254091      7.83867989    -11.18923114
  O     13.50981935      8.58599879    -10.57423095
  H     13.11124731      7.62359981    -16.54566144
  H     12.47537000     12.49103737    -16.13311210
  O     12.83461935     11.74547968    -15.65778369
  H     18.86760605      7.65604550    -16.29136994
  H     13.70525343     11.56294998    -16.04762361
          69
 Energy    -248.36963048065081     
  O     -2.78029461      0.69685313      0.93472600
  H     -3.32597304      0.07403031      0.43867554
  H     -2.24768113     -6.51186254     -0.19935936
  O     -3.45846690     -0.70111543      6.36199305
  H     -3.08653594      0.64703863      1.84782568
  H      2.43603824     -1.01589368      2.84829261
  O      1.42372601      0.29080613      2.27708133
  H     -3.79317896     -0.25438980      7.13463611
  H      3.79371377     -1.46831549      3.43043957
  O     -3.55951859     -0.02049295      3.59555559
  H     -3.87793400     -1.58194337      6.34179761
  H     -0.70828559     -2.03967620      0.79068022
  O      1.37490877     -3.37320714      5.05602866
  H      0.67094384      0.17988080      2.87788631
  H     -0.71292500     -1.66157135      2.31369817
  O     -4.45199119     -3.19034440      6.17048267
  H      1.03135271      0.57413547      1.44487216
  H     -2.77044781     -4.70813337      1.62497936
  O     -1.03376368     -2.11802432      5.86549907
  H     -4.04903092     -0.75538176      3.19954177
  H     -2.08031137     -3.42423035      2.10963869
  O      0.24777990     -5.79332804      4.54908980
  H     -3.61002878     -0.14124748      4.55234499
  H      0.86350814     -3.22444520      1.55281583
  O     -6.47063841     -3.16218291      4.26401075
  H      0.68249724     -2.83332021      5.45856557
  H      2.32452304     -3.07940038      2.00689722
  O     -0.24153360      1.05854317      0.02737360
  H      1.89533267     -2.79220534      4.48991701
  H     -4.17242184     -2.85087184      2.30273631
  O      0.21731288     -5.90875632      1.68617062
  H     -5.20909584     -3.25421720      5.57071896
  H     -4.84659836     -1.82677855      1.35976970
  O     -2.04086026     -5.66193708      0.18009787
  H     -3.77484029     -3.79087870      5.83575696
  H      2.45583680     -3.47824019     -1.76211047
  O      2.91739736     -1.77783333      3.21726782
  H     -1.45025570     -2.94049855      5.56659686
  H      2.02792512     -3.14279900     -0.32291774
  O     -0.72924980     -2.39719698      1.68803607
  H     -1.75101782     -1.56786307      6.20307658
  H     -1.74484733     -0.19788924      3.58498919
  O     -2.82902634     -4.01529806      2.29231532
  H      0.67451188     -6.44617795      5.09828556
  H     -0.77144778     -1.02380922      4.45047981
  O      1.75490239     -3.58274543      1.41348128
  H      0.71770949     -4.95333598      4.70122756
  H     -0.28431305     -0.61532195     -0.76967231
  O     -4.83811980     -2.14668408      2.27001091
  H     -7.26804776     -3.54675282      3.90962003
  H      0.45371609     -1.93699692     -1.16613480
  O      2.01077163     -2.81759151     -1.23750861
  H     -6.00055882     -2.77406681      3.50924409
  H     -1.85506256     -2.63114128     -1.23355965
  O     -0.81695598     -0.45115613      3.67344443
  H     -1.14548319      0.98728891      0.38429915
  H     -2.42942261     -3.99683308     -0.77501229
  O     -0.41196914     -1.55176301     -0.96530193
  H     -0.18054700      1.91497031     -0.38789646
  H     -2.51041281     -4.35434256      4.02843636
  O     -2.66920063     -3.15216596     -1.17099736
  H      0.16046729     -5.96992324      2.64747429
  H     -1.45431254     -5.05940369      4.90267686
  O     -2.22802349     -4.48480334      4.94560088
  H      0.88262905     -5.22817932      1.51902809
  H     -3.83161406     -1.97549025     -0.66077602
  O     -4.42822417     -1.26865332     -0.35491223
  H     -1.21066175     -5.77580190      0.67692841
  H     -5.00745431     -1.06493853     -1.08433859
          69
 Energy    -248.36956709904860     
  O     -4.69997943     -0.39851642     -0.09664375
  H     -4.61906329     -0.25118877      0.86140022
  H      1.96739124     -0.83305542      2.57383734
  O     -1.55738777      0.47144085      2.58672768
  H     -5.29568190      0.26922991     -0.42671045
  H     -1.57445233     -2.79277827      1.97887545
  O     -4.23840034     -0.15006173      2.58099092
  H     -0.91533806      1.03502068      2.14229150
  H     -1.46589677     -1.88978614      0.69737417
  O      1.33762066     -0.23332978      5.58034091
  H     -1.37581930     -0.43202284      2.27839121
  H     -3.13442975     -3.90984263      2.87785652
  O     -3.26318980     -4.36359366      6.75105255
  H     -3.32572703      0.16534624      2.50836226
  H     -1.88312740     -3.91190472      3.78892144
  O     -1.46908003     -0.38369023      5.24519124
  H     -4.44951694     -0.10763287      3.52534076
  H      1.85414139     -2.65551678      1.06173366
  O      1.42109740     -3.01234105      4.80955195
  H      1.60060037     -0.04698964      4.66057867
  H      0.57686286     -2.36704587      1.86854480
  O     -5.34604089     -3.03236869      5.62225105
  H      1.95835591      0.22313315      6.14195300
  H     -4.49891480     -2.02453558      2.76443674
  O     -2.15063025     -1.33055842     -0.94276994
  H     -2.97460771     -5.19316937      7.12229270
  H     -5.02824074     -3.06203360      3.78105478
  O     -0.14668962     -4.39721486     -0.98801158
  H     -2.48416253     -3.97714859      6.31801640
  H      2.59828380     -2.92180974     -1.40597969
  O      0.06076673     -5.25693510      1.63947720
  H     -0.55147905     -0.27170232      5.52533122
  H      1.16053172     -3.27468319     -0.95579438
  O      2.01040948      0.04470164      2.97211460
  H     -1.51256567     -0.00818607      4.35409505
  H      0.52425300      1.00100183      0.36623036
  O     -1.14824281     -2.01292464      1.60037039
  H      1.51012720     -2.11739103      5.16211302
  H      0.77789179      2.47731699      0.75415496
  O     -2.21192087     -4.19221890      2.92203504
  H      1.59618065     -2.94156730      3.86320073
  H     -0.47947268     -0.51587295     -1.02958834
  O      1.51460918     -2.60066555      1.96364727
  H     -6.15365573     -3.20470127      6.09959459
  H      0.98836082     -0.97319038     -0.90728454
  O     -4.70293752     -2.96278664      2.87752981
  H     -4.64498567     -3.54284468      6.06273806
  H     -3.62836436     -3.81933885     -0.99155326
  O      1.89400815     -2.64478087     -0.82632940
  H     -2.35679362     -2.19149327     -1.33003605
  H     -3.28979693     -4.38278190     -2.38870764
  O      0.54924754      1.62511484      1.11452675
  H     -2.99304837     -0.91730962     -0.71545389
  H     -4.67111136     -1.21803408      5.54299698
  O      0.41952576     -0.19450022     -0.87820485
  H     -1.07727278     -4.33410444     -1.22470451
  H     -3.39879697     -0.33486616      5.48318582
  O     -2.90657630     -3.94577336     -1.63231920
  H     -0.11343336     -4.81889870     -0.11596952
  H     -1.43278929     -2.21716837      5.29295922
  O     -4.34822562     -0.34107599      5.30458195
  H     -0.76643319     -5.05988407      2.10096870
  H     -0.30428835     -3.27178453      5.20117517
  O     -1.26021571     -3.16824339      5.31372183
  H      0.68768437     -4.58824322      1.93062573
  H     -4.93642383     -3.34634094      1.04219792
  O     -4.90118344     -3.25429837      0.08178950
  H      1.58021700      0.64372564      2.35016878
  H     -4.98150509     -2.30598435     -0.08020722
          69
 Energy    -248.36929851867677     
  O     17.33848446     10.27312373    -10.99674292
  H     16.54342312     10.06412617    -11.51347359
  H     13.38450649      9.29787980     -7.15730157
  O     14.21954227      4.96629188     -8.17269982
  H     18.04570418      9.66476558    -11.24857591
  H     17.40601199      4.81093678    -12.98570983
  O     17.70190763     12.54818479     -9.60472648
  H     14.55551206      5.50157517     -7.42998559
  H     18.52856747      3.82565132    -13.39559024
  O     12.41986119      7.09147204     -8.83850782
  H     14.07735053      4.08558850     -7.83819047
  H     15.79827825      7.04242569     -9.85441074
  O     15.08863800      9.53265069    -12.29131137
  H     17.55664215     11.76218893    -10.16237881
  H     15.25252009      5.62676226     -9.52671131
  O     19.32296481      8.40648358    -11.43502033
  H     17.75338329     13.29744631    -10.19169838
  H     18.88055006      7.86422969    -13.18176231
  O     21.03761933      9.18832641     -9.36032076
  H     12.48804062      7.55813057     -7.99651722
  H     18.58542649      6.45785172    -13.73162566
  O     18.51259099      5.90608467    -10.46813547
  H     12.93828416      6.28629177     -8.72428928
  H     17.90748512     11.02594064     -5.04243701
  O     12.70256866      9.00813055    -10.77050309
  H     14.28215646      9.27659279    -11.82970651
  H     17.14711112     11.08869275     -6.38939705
  O     16.00220624     11.89848837     -7.42764780
  H     15.23301890      8.89698481    -13.00345188
  H     16.78580730      7.67834462    -14.23880515
  O     14.03557484     10.20222184     -8.55876936
  H     19.01510838      7.55554682    -11.08994526
  H     15.65499612      7.86137270    -15.27597085
  O     13.05271580      8.66001762     -6.50374578
  H     20.00844651      8.71152517    -10.82737095
  H     16.69495497      8.41733423     -8.27847878
  O     18.37262446      4.68343383    -13.01109923
  H     20.56348190      9.90230845     -8.89756087
  H     16.69688985      9.19052215     -9.65369164
  O     15.75525533      6.13143054    -10.17784560
  H     21.96838366      9.37607680     -9.27515995
  H     19.07011888     11.69772970     -8.61110170
  O     18.49139863      7.39765890    -13.93290053
  H     18.62498205      5.38168907    -11.27021186
  H     19.14425070     10.93059531     -7.28016713
  O     17.85959508     10.62999734     -5.90849356
  H     17.55961034      5.93718025    -10.29998688
  H     14.41936366      7.35121745     -6.19905072
  O     15.81901345      7.73303027    -14.34534085
  H     11.84998613      9.11820004    -11.18422007
  H     15.93500777      7.04665142     -6.31234103
  O     16.17929279      8.62143863     -9.07014529
  H     12.61289134      8.25916252    -10.15558171
  H     20.19119595      7.70097434     -8.47813113
  O     19.63746277     11.11861124     -8.08745053
  H     15.23737449     11.44402427     -7.80176667
  H     19.31428669      6.49401826     -8.86377294
  O     15.06427337      6.63413776     -6.22909101
  H     16.51268788     12.23086055     -8.17787180
  H     17.68172584      8.83415691     -6.34902585
  O     19.62754692      7.01078005     -8.10949002
  H     13.47254264     10.05578311     -9.32671654
  H     18.28863073      7.59874722     -7.10817539
  O     17.47885305      7.96813492     -6.72288828
  H     14.80602272      9.62650933     -8.70385589
  H     15.62981900      5.59691162    -11.92681443
  O     15.73884123      5.31158273    -12.84550673
  H     12.54070876      9.15663571     -5.87058249
  H     15.61275027      6.10024405    -13.38715344
          69
 Energy    -248.36922316824615     
  O     17.52449367     10.04083546     -9.74228361
  H     18.04993494     10.10799519     -8.93576880
  H     13.13940996      9.43968913     -3.87067476
  O     13.67167840      5.55745474     -6.82064471
  H     17.97462697      9.39835846    -10.31099162
  H     16.71214645      5.72819800    -12.08810621
  O     12.19551842      7.97974692     -6.52423036
  H     13.40702090      4.64177091     -6.86051764
  H     17.03178098      6.53457032    -13.36572566
  O     15.06241309     10.36012654    -11.05179283
  H     14.03748280      5.78135014     -7.69246197
  H     14.16726741      6.87238220     -9.89965328
  O     18.71486545      8.03984275    -11.20729662
  H     12.58537867      7.10480638     -6.64264013
  H     15.06549294      7.27612215     -8.72518163
  O     20.39836648      7.94633511     -8.93277913
  H     11.97972828      8.30991890     -7.40474610
  H     18.39674813      8.36575702    -14.70776035
  O     17.21388693      5.87027044    -10.25341195
  H     15.94877805     10.37617783    -10.66871991
  H     17.14875957      8.67125206    -13.84285210
  O     11.62427628      8.96103730     -9.13196848
  H     14.48169788     10.80638277    -10.41653297
  H     15.38685110      9.87880948    -12.82777649
  O     17.40007378     11.68583260     -6.21219155
  H     18.18374429      7.28903948    -10.90492476
  H     14.94226414      8.70254389    -13.72474615
  O     13.40549914     11.25400686     -9.04734264
  H     18.58315775      8.11269269    -12.16010876
  H     15.32683395      9.41104760     -7.58618996
  O     14.79718840     10.84287694     -6.63137995
  H     20.01714120      8.02661441     -9.81718452
  H     16.32141164      9.14504170     -8.74875526
  O     13.66906712      9.22278193     -4.63346897
  H     20.04902046      7.11526567     -8.58936387
  H     19.63457624      9.19643348     -7.83228424
  O     16.41237802      5.89563030    -12.99022446
  H     17.79386233      5.67149305     -9.50719291
  H     18.52959596      8.95762186     -6.79572993
  O     14.69791393      6.50122820     -9.18413572
  H     16.33113694      6.01656158     -9.88684946
  H     14.77054027      6.33885694     -5.40637190
  O     17.95996007      8.13377571    -13.89308608
  H     10.75249359      9.07570748     -9.50393062
  H     14.82951700      7.66438241     -4.62857358
  O     15.58535451      9.41782528    -13.65428760
  H     12.18514201      8.61158136     -9.84364187
  H     13.47694841      7.69395808    -11.92804389
  O     15.75490739      8.71186973     -8.09667606
  H     18.04923208     11.04707346     -6.54397760
  H     14.01552230      8.85080698    -11.03792253
  O     18.97928033      9.65768715     -7.28859645
  H     17.87325203     12.50768695     -6.10526810
  H     19.20916250      4.95862047     -7.44456707
  O     15.31666094      6.84790463     -4.79481547
  H     13.84653583     11.25457908     -8.18670604
  H     18.37462352      6.25573597     -7.33633462
  O     13.40480067      8.09830046    -11.05457874
  H     12.71311271     10.58652460     -8.98623977
  H     16.89191568      7.88437854     -7.02310692
  O     18.85358479      5.68017652     -7.95738732
  H     14.45244591     10.40218227     -5.84468106
  H     16.87480409      7.17888205     -5.66626884
  O     17.46895928      7.44127628     -6.38226341
  H     15.67204470     11.20234903     -6.42249548
  H     13.56986128      6.52953893    -14.24275839
  O     13.99587298      7.00190930    -13.53299385
  H     13.06985675      8.81512845     -5.28612006
  H     14.82757811      6.53213231    -13.34023693
          69
 Energy    -248.36875558679964     
  O     -5.26624092     -0.80865985      2.05463248
  H     -4.93944096     -1.66613329      2.36394406
  H     -1.11900841     -1.69304020     -1.27981086
  O      3.37077671      0.30482273     -1.44606931
  H     -6.10987500     -0.98311556      1.64234788
  H     -2.42888988      1.35366984     -0.55180670
  O      1.44727760     -3.70925953     -1.08210995
  H      3.14665130     -0.10819667     -2.29998056
  H     -1.01611314      1.51524685     -1.14506046
  O      0.68206351      0.80743496     -0.72780330
  H      4.15836273      0.82180815     -1.59004924
  H      1.74489028     -0.70814964     -4.05489869
  O      0.11469366     -3.47506034     -4.86318130
  H      1.90382827     -3.79695281     -1.92972224
  H      2.71651835     -1.86576388     -3.75016875
  O     -3.07043208      0.53630457      1.04818184
  H      1.97794675     -3.12227236     -0.52343326
  H     -1.21511232     -2.32644353      3.77412271
  O     -3.44570001     -1.95162402     -3.12651976
  H      0.35459729     -0.03198409     -1.09287819
  H     -2.75210975     -2.28595876      3.87932345
  O     -2.17649408     -3.97281308      1.20575077
  H      1.61442877      0.84988418     -0.96979259
  H     -4.54718472     -4.00933604      3.35771598
  O     -0.12534758     -0.74406490     -4.28102069
  H     -0.01829051     -2.51703978     -4.86015422
  H     -3.50796045     -3.59766437      2.28988041
  O     -1.42431058      0.70002307      3.36279004
  H     -0.67877886     -3.85080452     -4.46234311
  H     -1.44380505     -4.81460275     -1.89944544
  O     -2.71922088     -1.78757890     -0.45592626
  H     -3.90540712      0.19027520      1.39652711
  H     -0.15982974     -4.68053879     -1.04078394
  O     -0.24543949     -1.57600214     -1.67479309
  H     -2.49441615      0.67745943      1.80878084
  H     -2.87911728     -4.93250283     -3.96365421
  O     -1.95527153      1.60287157     -1.35488754
  H     -3.19708098     -1.08676595     -3.47223697
  H     -2.68640616     -3.48757709     -3.45336159
  O      2.63807549     -0.90422449     -3.74166856
  H     -3.34587319     -1.88624247     -2.16569281
  H      3.07033887     -4.38225207     -4.15577676
  O     -1.94902027     -1.83886026      4.17018885
  H     -1.87229552     -4.46155616      0.42479086
  H      1.66162317     -3.73896511     -4.15243298
  O     -4.14510189     -3.25203478      2.93914916
  H     -1.38208368     -3.65422774      1.65555116
  H      2.17575401     -1.28781482      1.00931978
  O     -1.07040111     -5.00480744     -1.03031784
  H     -0.16845177     -1.09282103     -3.37478959
  H      3.09347787     -1.12224277     -0.20335573
  O     -2.24160981     -4.34672347     -3.56289850
  H     -0.89208368     -0.16673026     -4.35602168
  H     -2.35322133      1.03662715     -2.96915261
  O      2.51540855     -3.76922996     -3.68165141
  H     -1.47886189      1.33519264      4.07173775
  H     -3.02555824      1.36139783     -4.32002062
  O      2.75940560     -1.78041624      0.42069273
  H     -1.66678890     -0.16585044      3.73689756
  H      0.62234889      0.11469613      0.93641090
  O     -2.54073008      0.68339846     -3.85710068
  H     -2.59709258     -2.53786700      0.13772178
  H      0.04906977      0.11240051      2.37434251
  O      0.64938091     -0.35592910      1.78185274
  H     -2.81901433     -0.99074413      0.08045348
  H      0.27047610     -2.04575884      2.18031408
  O      0.07711072     -2.94520808      2.49254322
  H      0.29594122     -2.34438883     -1.45832700
  H      0.90349559     -3.42285943      2.46558064
          69
 Energy    -248.36869245415090     
  O     12.01502532     11.10913427    -15.00309917
  H     12.42132090     11.88599813    -14.60149711
  H     18.20447009      7.97095841    -13.27077002
  O     17.03265133     10.51590523    -11.08977845
  H     11.51946988     10.65047045    -14.31385506
  H     16.21589575     12.59006624    -15.58001046
  O     17.50948526     11.40435677    -14.99383011
  H     17.80198997     10.69133854    -11.64496980
  H     15.22819830     12.46639211    -16.74737330
  O     12.75802371      7.01794770    -16.79903309
  H     16.26551937     10.94991728    -11.49143916
  H     14.94246343      9.33428473    -14.97737727
  O     14.24542726      8.03397056     -9.31457190
  H     16.83664596     10.74285001    -14.76379889
  H     15.82463637      8.82637970    -13.76906311
  O     13.69027738      6.80202306    -12.77377248
  H     18.18576513     11.34139912    -14.31153344
  H     10.86345152      8.61391338    -13.57064294
  O     14.71572234     11.36415144    -12.37378514
  H     12.47208016      6.88969623    -17.69903008
  H      9.77991649      9.44155527    -12.83924038
  O     17.45911297      9.91135936    -17.36936903
  H     13.06487308      7.94074528    -16.72763946
  H     11.70327649      7.03727934    -15.20540566
  O     15.36009467      6.01162172    -10.67427866
  H     14.88083572      8.66455277     -8.94732117
  H     12.11419738      6.83940299    -13.73908696
  O     17.50618987      7.29629591    -16.24488123
  H     13.72843202      8.51228106     -9.97594246
  H     20.15819964     10.88494484    -12.70222169
  O     15.08108295      6.54144239    -15.23213596
  H     14.17024451      6.31808070    -12.09132946
  H     19.20486125      9.80848730    -13.27557577
  O     18.89514666      8.21744374    -13.90477671
  H     13.53459218      7.68432302    -12.40714059
  H     16.78146306      8.74382834    -11.71433144
  O     15.39982947     12.96461042    -15.94040936
  H     14.31232035     12.13404244    -12.79051769
  H     16.32106914      7.25472555    -11.70764472
  O     15.54523696      9.59984533    -14.27301038
  H     14.95970270     10.76303217    -13.09714956
  H     16.57648983     10.13737082     -9.37942572
  O     10.69593333      9.45287621    -13.10324095
  H     17.67409798     10.46648398    -16.60710241
  H     16.38946828     10.55691047     -7.91313789
  O     11.37875810      7.12181130    -14.30143920
  H     17.47031531      9.00145109    -17.04750425
  H     15.19341227     11.34762080    -19.08132451
  O     19.24071042     10.70147960    -12.88468788
  H     15.61569915      5.27880349    -10.12266049
  H     16.02670960     10.67868906    -17.96061025
  O     16.71354148      7.94473046    -12.25355412
  H     14.95571061      6.68187529    -10.09121778
  H     13.57825447     10.05176861    -11.76504975
  O     16.20114164      9.85473830     -8.53069840
  H     16.65109169      7.03050775    -15.86452331
  H     12.18699907      9.39561768    -11.98018803
  O     15.18289008     11.12719618    -18.15424107
  H     17.85108148      6.52632895    -16.69104618
  H     14.20088289     13.24054515    -14.72368414
  O     13.04698793      9.27118347    -11.55996225
  H     14.68914615      6.58817012    -14.35090525
  H     13.30205450     14.23492361    -13.95071982
  O     13.54382965     13.31479819    -14.00691992
  H     14.33411834      6.55840721    -15.84291874
  H     14.14899695     10.06327076    -17.07273130
  O     13.68479079      9.52129669    -16.42380725
  H     18.55482259      7.94025530    -14.76248376
  H     13.05766349     10.09398725    -15.95346635
          69
 Energy    -248.36855579027781     
  O     13.36551798     13.65582750    -14.67341626
  H     14.10214068     14.02297942    -15.17395602
  H     18.39792322     11.33473456    -15.14698723
  O     17.77879530      7.14616573    -13.84820328
  H     13.17456791     12.79468343    -15.06965283
  H     15.80892848      9.57786385    -19.54098762
  O     19.45902472     11.45642282    -11.76175375
  H     17.58625943      7.38230882    -14.76217722
  H     15.61829351     10.29147116    -18.18260772
  O     17.35440137     14.27544453    -13.98391656
  H     16.92458784      7.00998116    -13.41502186
  H     16.98892305     10.07453256    -12.48396312
  O     15.75731200     10.13656547     -9.51252584
  H     18.96349917     11.81851934    -11.01866506
  H     16.25721254     11.46405242    -12.52625680
  O     15.29835114      7.01817188    -12.41867685
  H     19.22811954     10.51648566    -11.78496045
  H     13.02674402     10.32092562    -16.26285689
  O     13.35525510     13.58596213    -11.97274032
  H     18.13970332     13.74667715    -14.17175861
  H     13.38560787     10.60070202    -14.78668887
  O     13.12543308      8.80507380    -17.25526612
  H     16.85210105     14.34639243    -14.80407320
  H     17.87448964      8.48809499    -11.12736199
  O     16.60860803      7.64925436     -9.99783165
  H     16.38160635     10.86979421     -9.51256422
  H     18.30469423      8.31895759    -12.60514638
  O     16.85791778      8.30062570    -16.31317250
  H     14.95259789     10.44002221     -9.95749165
  H     15.17537916     13.38972233    -11.83685313
  O     14.46835135      7.36844439    -15.19048876
  H     15.71301975      7.08589375    -11.54754532
  H     16.53772235     13.64790304    -12.57635387
  O     17.61730191     10.80989411    -15.35733491
  H     14.75375362      7.80905990    -12.49558126
  H     20.48360157     12.70861035    -14.45943705
  O     15.60707284      9.42490601    -18.62118788
  H     13.31062843     13.63686988    -12.94415644
  H     19.56353558     12.13765193    -13.35701479
  O     16.34127924     10.60757274    -12.96443463
  H     12.75710613     14.24764076    -11.63580699
  H     17.72064985     13.02305251     -9.08067184
  O     13.25125360     11.02928731    -15.64125762
  H     13.41630132      8.15099086    -16.60586569
  H     17.06173371     12.74335587    -10.45245562
  O     18.31395404      8.93761662    -11.85894381
  H     13.86519386      8.90633230    -17.86581148
  H     16.35060310     11.41989996    -16.44198952
  O     16.11535567     13.17472424    -11.84250146
  H     16.25701627      8.52714867     -9.75679385
  H     14.78843244     11.46380052    -16.51170784
  O     19.57685239     12.48527199    -14.26775995
  H     16.75861638      7.17709377     -9.18381315
  H     13.35066021     11.80194362    -11.26437781
  O     17.60658390     12.35020498     -9.74730596
  H     16.53143869      8.50475826    -17.19745240
  H     13.43424489     10.34827856    -11.75869680
  O     15.59904006     11.68559333    -16.99467927
  H     17.23279053      9.12743091    -15.97592761
  H     15.62982531     14.96172931    -17.02943958
  O     13.49975074     10.89647447    -10.96756819
  H     15.31682748      7.65048649    -15.56588598
  H     15.66418764     13.45990847    -16.66525205
  O     15.66251443     14.35626676    -16.29249565
  H     14.67407590      6.82748820    -14.42174823
  H     14.02889830      8.77641042    -14.08109919
  O     13.92929780      9.45176911    -13.39572457
  H     17.12187158     10.73745198    -14.52626539
  H     14.80151793      9.85977790    -13.25540795
          69
 Energy    -248.36854887309460     
  O     16.51597067     10.71548853    -10.29269059
  H     16.88652396      9.90575469     -9.92347821
  H     15.62976946      4.82823801    -14.86387085
  O     14.29889449      7.99344908    -15.12945056
  H     16.91801022     10.82266805    -11.16556574
  H     18.98452400      7.05639630    -12.20814719
  O     14.47009337      4.81891754    -11.67322955
  H     13.51154199      8.18339662    -14.60275691
  H     19.65797784      8.38098425    -11.78733058
  O     18.10888824      6.28988015    -13.72365267
  H     14.39065543      7.03774381    -15.22004043
  H     15.56684799      8.22853785    -13.83274239
  O     15.91836588     11.79034319    -14.98409573
  H     14.76151529      5.66392730    -11.30315509
  H     16.89691653      7.58690543    -13.32077312
  O     11.01427219      6.49305621    -10.78055933
  H     13.77325433      4.48067297    -11.09179217
  H     13.65362315     11.99530098    -10.08744759
  O     12.21041579      8.75742400    -13.49343843
  H     18.05354432      6.46805296    -14.67208060
  H     14.83067011     11.06503646    -10.46491020
  O     15.28782525      7.29212349    -10.75328697
  H     17.63197652      5.46552395    -13.55993786
  H     13.34064281      4.98602355    -13.17470657
  O     10.57547595      6.49023460    -13.62674165
  H     15.77189647     12.63738707    -15.39637355
  H     13.49970854      5.01231667    -14.70478831
  O     17.50555894      6.88427512    -16.42355830
  H     15.10558571     11.57929141    -14.48910721
  H     13.11770432     10.44820686    -13.64144312
  O     16.30184939      9.32314954    -16.44566734
  H     11.56373336      7.27948126    -10.66480520
  H     13.78997428     11.28297150    -12.53807435
  O     15.21370300      5.34050193    -15.57048315
  H     10.73969136      6.49286810    -11.70523201
  H     15.75659027      4.25915503    -12.70319365
  O     19.23888724      7.58007153    -11.43981802
  H     11.51953709      8.09724813    -13.62824115
  H     16.64831042      3.11985582    -13.25131698
  O     16.22060224      8.24866390    -13.12267045
  H     12.44591820      8.70798581    -12.55547055
  H     11.81281709      4.99365057    -10.29398652
  O     13.88890936     11.24939836    -10.63271785
  H     15.99265182      7.49608695    -10.12770516
  H     11.89265771      3.74644121     -9.39561660
  O     12.84426594      5.05892676    -14.00101435
  H     15.56967467      7.67884663    -11.59761898
  H     20.64782719     10.75546961    -12.30874159
  O     13.72740294     11.18127990    -13.49580606
  H      9.85102016      6.12370856    -14.12578300
  H     19.22591724     10.32443618    -12.70233434
  O     16.43854273      4.04335591    -13.36348753
  H     11.35304003      5.92946596    -13.80330016
  H     13.68641677      8.12466219    -10.68458635
  O     12.33787523      4.19585647    -10.10794171
  H     18.03202422      6.77374630    -17.21114477
  H     13.10773369      9.55655144    -10.62876618
  O     20.11466338      9.98867899    -12.50220774
  H     17.16090721      7.79485352    -16.44851820
  H     18.18708663      7.94404457    -10.11614511
  O     12.86923924      8.63424724    -10.78371595
  H     16.32374280     10.19800316    -16.04454441
  H     18.01070524      8.00711061     -8.58103675
  O     17.56422001      8.18168481     -9.40475932
  H     15.47722805      8.92592982    -16.12480923
  H     17.05510416      9.82190703    -12.97774684
  O     17.47379425     10.69591661    -12.93194096
  H     15.93736018      5.80386121    -16.01052182
  H     17.06068827     11.21764400    -13.62943666
          69
 Energy    -248.36851223724636     
  O      9.23833391    -11.91128127     -1.97100612
  H      8.52041768    -12.56253358     -1.99727627
  H      4.75750990    -12.03337244     -3.08054061
  O      4.52489160     -8.64014025      0.84207179
  H      9.30642803    -11.54098026     -2.85874753
  H      5.75430069    -12.40636640     -4.96894640
  O      7.92842177    -14.64900586      0.57823343
  H      3.93019419     -7.89649202      0.89319459
  H      4.41859685    -12.06137966     -5.67424182
  O      6.62800059     -9.65366491     -4.10970655
  H      4.08452158     -9.38289568      1.29368811
  H      8.29788935    -14.43158212      3.54228005
  O      5.11090293    -14.39282360      3.76669565
  H      8.84552241    -14.36295426      0.43827726
  H      8.21726695    -15.94642114      3.84795177
  O      6.84104034    -11.14932324      3.81781425
  H      7.88154862    -15.04729926      1.45591544
  H      8.17901161    -10.39938445     -4.42760313
  O      5.99415004     -9.63051285     -1.33420138
  H      6.38913872     -9.49067098     -3.18836277
  H      9.50462505    -10.47791275     -5.22461924
  O      7.27920889    -13.25393174     -4.78713183
  H      5.96474876    -10.26444536     -4.45544421
  H      3.71718571    -14.47687722      1.09617661
  O      6.63539279    -12.29325207      1.25290355
  H      6.00960706    -14.72080818      3.65834559
  H      3.60538571    -16.00328300      0.95059119
  O     10.38836623    -13.51438856      0.07153200
  H      4.58230208    -14.80141405      3.06575121
  H      8.26758757    -12.24694456      3.99762393
  O      7.01265104     -8.88950000      2.22454050
  H      6.87025628    -10.28000170      3.39266776
  H      9.58311692    -12.40166617      3.22343539
  O      4.89149889    -12.08555018     -2.12684701
  H      5.95058070    -11.29602232      4.15954578
  H      9.71409980    -10.90124940      1.32320678
  O      4.96016828    -11.84357041     -4.92101608
  H      5.42172327     -9.23331782     -0.66431710
  H     11.00958511    -10.58181727      2.09468043
  O      7.82526073    -15.25493252      3.32110830
  H      6.83379386     -9.81267254     -0.89591253
  H      4.14912055    -12.65791470     -0.56711950
  O      8.98128589    -10.93323888     -4.57097975
  H      7.30286889    -13.62539460     -3.89496704
  H      4.95403054    -12.66926620      0.74539250
  O      3.65526029    -15.30532706      1.59867208
  H      7.96734945    -12.57747434     -4.81396985
  H      4.53098551    -12.85536684      4.26713142
  O      8.99155452    -12.86720676      3.82415884
  H      6.68920400    -12.04613249      2.18518480
  H      3.77790646    -12.01242996      5.32422979
  O     10.40777957    -11.29012984      1.87585403
  H      7.09913237    -13.13095962      1.11534101
  H      3.59600352    -11.10557021      2.93468827
  O      4.07942496    -12.86477430      0.37339346
  H     10.20159443    -13.01229920     -0.73284368
  H      3.43273490    -11.50098191      1.45494565
  O      4.25344185    -11.94952616      4.50055752
  H     10.58265839    -12.85109323      0.74427376
  H      7.67885935    -11.09098216      0.52357552
  O      3.37728495    -10.75237375      2.06424101
  H      7.58219747     -9.19813801      1.51107366
  H      8.71441958    -10.86972115     -0.62380681
  O      8.30553877    -10.44855914      0.14752502
  H      6.15976811     -8.70467687      1.81000137
  H      6.34102166    -13.25549912     -1.93104427
  O      7.16493092    -13.75818661     -1.99282914
  H      5.24296134    -11.22902954     -1.84433655
  H      7.30361645    -14.21578382     -1.15391048
          69
 Energy    -248.36830514965936     
  O     10.71187725     11.41689904    -14.13231343
  H     10.90190682     12.16624750    -13.55520538
  H     16.42068847      7.19330180    -15.55464246
  O     14.85577212      6.51813373    -12.77875865
  H     10.99274037     11.66665766    -15.02096381
  H     17.03309459      8.92645245    -12.05165165
  O     16.85540411     10.90172675    -14.33782574
  H     15.03918332      5.63246034    -12.47244320
  H     16.22377511      7.84406018    -12.79954249
  O     11.60089222     12.16608729    -16.77228155
  H     14.74345443      6.45779704    -13.74219605
  H     16.35098919     10.31249656    -17.35849349
  O     14.24729941     11.14005166    -13.50288841
  H     16.93617190      9.99515773    -14.01103736
  H     14.86462829     10.56319758    -17.03979567
  O     15.47269764     14.32090289    -11.62792187
  H     16.55566673     10.87587028    -15.25705674
  H     11.96053837     13.34379160    -11.69120553
  O     12.80295458      8.01978750    -11.34005541
  H     12.46681902     12.60972055    -16.71946648
  H     10.73810204     14.20696100    -12.08338953
  O     13.80044211     13.89987375    -13.84750160
  H     11.07101020     12.67523689    -17.38048832
  H     17.04596049      9.76421283     -9.58724370
  O     14.66044175      7.56651647    -18.13798555
  H     13.98137635     12.05424673    -13.65131008
  H     15.86549742     10.09775444    -10.53167043
  O     14.15608875     10.34658832    -10.86416019
  H     15.17767509     11.07835971    -13.76067704
  H      9.91225032      8.48395915    -13.32902237
  O     14.59860587      6.77980987    -15.49238603
  H     16.15514684     13.63623443    -11.74728599
  H     10.70759698      9.79858716    -13.50481253
  O     17.33259779      7.51665318    -15.54516285
  H     15.92265881     15.10574699    -11.32707176
  H     14.79848576     12.62303343    -16.66464421
  O     16.94877856      8.47416407    -12.90012894
  H     13.41676943      7.49370458    -11.86688033
  H     14.10600572     13.57319662    -15.64325549
  O     15.75454209     10.91308215    -16.89274359
  H     12.06827064      8.25496486    -11.92021048
  H     17.28183989     11.97779974    -12.88853966
  O     11.38700313     13.60316806    -12.43500467
  H     14.41957141     14.14529026    -13.14696118
  H     17.25520865     11.60759700    -11.39697874
  O     16.83033648      9.97356407    -10.49221109
  H     12.91460642     13.94581874    -13.46458734
  H     12.55304118     10.59314984    -17.31225636
  O     10.77975787      8.86649438    -13.22804062
  H     15.54287308      7.94110307    -18.24519599
  H     13.08950193      9.47471853    -16.40939813
  O     14.07487197     13.25064700    -16.55479151
  H     14.06538010      8.32357830    -18.05289045
  H     13.99451430     13.45616466    -10.76572099
  O     17.28759803     12.35969840    -11.99991669
  H     13.64494596      9.52478348    -10.87607899
  H     13.46560186     12.03874238    -10.46224868
  O     13.16819755      9.85170281    -17.29899356
  H     14.18381536     10.65730949    -11.78229144
  H     18.07625989      8.65854522    -18.44572789
  O     13.19921081     12.96578939    -10.52167343
  H     14.07969815      7.54136036    -15.18715056
  H     17.40903274      8.35295126    -17.08362618
  O     17.28581093      8.81020180    -17.93502921
  H     14.58577146      6.83561765    -16.45830285
  H     12.27247428      8.78566702    -14.27351660
  O     13.12042774      8.93794264    -14.70739195
  H     17.48706540      7.78918776    -14.63429428
  H     13.51077070      9.71621742    -14.28425942
          69
 Energy    -248.36825460783879     
  O     13.24474051     14.28400131    -11.28883624
  H     13.62460933     14.44345434    -12.16970686
  H     15.36274702     11.16799053    -17.01148359
  O     14.61040279      9.46090482    -16.54583552
  H     12.59302564     14.96532643    -11.14320743
  H     14.30196474     13.11629534    -16.52553319
  O     15.12882019      8.33359719    -12.34921871
  H     14.00048945      8.73645911    -16.73740211
  H     13.11260751     14.03305839    -16.90201186
  O     18.08286525     14.42063969    -11.26744000
  H     15.29891827      9.07908209    -15.98353485
  H     18.66315120     11.90538408    -13.11349524
  O     14.27235383      5.75318491    -12.80222835
  H     15.71608868      8.95566962    -11.90096759
  H     18.66676695     12.71310048    -11.80886348
  O     15.18096440      5.81150159    -15.52646438
  H     14.26835687      8.77028555    -12.44001902
  H     13.62382699     11.36482842    -10.01973108
  O     15.28736522     11.84289816    -13.39573650
  H     17.25021542     14.26173139    -10.78852637
  H     12.93510851     12.41740359    -10.90085496
  O     12.66348479      9.59355472    -12.63452508
  H     18.58466795     15.04163093    -10.74587162
  H     19.41758881      9.12796405    -15.50523805
  O     16.40996684      8.16613678    -14.84680018
  H     14.64650368      6.61370992    -12.54736726
  H     17.90307785      9.05325041    -15.23374522
  O     17.63680073     12.12440758    -14.89708042
  H     14.37319584      5.17599441    -12.04977307
  H     12.54213687      7.24978325    -15.69142615
  O     13.05223472     11.06938635    -14.92297655
  H     14.87146410      5.61171722    -14.63320148
  H     12.20312208      6.90337410    -17.16039301
  O     15.62792282     12.09708715    -17.00041849
  H     14.41519071      6.16060280    -15.99943717
  H     15.80691725     10.91931784     -9.84807981
  O     13.52422918     13.58383338    -16.16879151
  H     15.09908803     12.78826560    -13.34708045
  H     15.55891287     10.74201207     -8.33025253
  O     18.82068192     11.82813163    -12.16690909
  H     14.54239594     11.45611381    -13.87069052
  H     17.54811988     14.73001484    -13.04695045
  O     12.90830850     11.48501318    -10.65517627
  H     12.65012517     10.12483430    -13.44341107
  H     17.48364944     13.97181582    -14.39034272
  O     18.63036183      9.66204171    -15.44143820
  H     12.65670891     10.21675661    -11.89314993
  H     16.01081894     10.96795401    -12.01901460
  O     12.89814310      7.23492342    -16.59820324
  H     16.02156541      8.28059236    -13.97040274
  H     17.45988014     10.80452021    -11.53221930
  O     15.30436582     11.26131040     -9.08816677
  H     16.13102785      7.29265017    -15.15953315
  H     15.41394174     14.77276163    -13.81896976
  O     17.17490164     14.76682061    -13.93745845
  H     16.84317616     11.92698448    -14.37650090
  H     14.11311813     14.32117649    -14.56412227
  O     16.55982043     10.48585164    -11.37988471
  H     18.04970789     11.28148408    -15.14207088
  H     12.70219283      6.58161750    -13.55001323
  O     14.48074175     14.53548535    -13.69762843
  H     13.53161858     10.49193870    -15.53579754
  H     12.12559379      8.00714366    -13.47489164
  O     12.10619053      7.19447678    -13.99774917
  H     13.00789055     11.93977504    -15.33512003
  H     15.63180269     13.06223471     -9.55529397
  O     15.74832876     13.91926092     -9.98326385
  H     16.41578516     12.15130064    -16.44778554
  H     14.89123527     14.13623542    -10.36901814
          69
 Energy    -248.36822289403892     
  O      1.83641301     11.35988584      1.31939193
  H      1.62933749     11.45541117      2.25636921
  H     -0.59987453     10.52154513      3.48393700
  O      1.49125376     15.03295768      0.12096742
  H      1.12852767     11.81561147      0.83206060
  H      4.28790727      7.59292940     -1.41871944
  O     -2.75605258     12.46186628      0.20140664
  H      0.95822354     14.22548041      0.05209353
  H      3.37414510      8.54648737     -2.22940124
  O     -3.21683879     12.12549780      2.94090151
  H      1.49965050     15.43384404     -0.76203545
  H     -0.09639286      8.50705197      0.67400893
  O      2.71741866     13.31657231     -2.96293379
  H     -3.02459266     12.33791361      1.11987977
  H     -1.05236213      7.36965784      1.10035788
  O      5.01360162     10.98957878     -1.62799459
  H     -2.70736052     11.58754709     -0.21472102
  H      1.64056092      9.27406506     -3.47737017
  O      4.23197741     11.32674482     -4.20693736
  H     -2.64259575     11.34860904      3.07250993
  H      2.99327700      9.83690722     -4.00504265
  O      1.38257044      9.08581582     -0.10862653
  H     -3.99667995     11.98829675      3.47125013
  H     -1.68486600     15.04866860     -2.23751108
  O     -0.01072802     12.69485337     -0.12388071
  H      3.01022219     13.17070969     -2.05273651
  H     -1.87359128     15.32044019     -3.74796219
  O     -2.37885442     15.09051547     -0.64812937
  H      3.23452364     12.72314860     -3.52112885
  H      0.48576317      9.63103187     -1.70544123
  O      3.46781252     12.97730145     -0.24051920
  H      4.62974289     11.66273897     -1.05258058
  H      0.02974830     10.72832983     -2.72375591
  O     -1.43939218     10.11613991      3.23582291
  H      4.64562536     10.13860071     -1.35933199
  H     -1.66940565      9.85854198     -1.57667625
  O      3.78149671      8.39825120     -1.35549656
  H      4.95957631     11.35392491     -4.82260688
  H     -1.98326873      9.37035595     -0.15880110
  O     -0.95097109      8.31852345      1.09697749
  H      4.61564030     11.19968393     -3.31948188
  H     -0.60558756     16.86251929      1.81821069
  O      2.55740420      9.04187824     -3.67550424
  H      1.59804356      9.85748040      0.43649940
  H      0.16447283     15.73743794      1.09168204
  O     -1.26048838     14.96503250     -3.11025867
  H      2.21506149      8.74994563     -0.46177256
  H     -0.86005063     14.50698690      2.74879595
  O      0.04199594      9.77443839     -2.55298519
  H      0.03439415     12.59298831     -1.08376582
  H     -1.76591948     13.33756805      3.21736693
  O     -2.29893670      9.96069179     -0.85313589
  H     -0.94492424     12.64592596      0.11334033
  H      1.01223305     12.78656542     -2.99948759
  O     -0.67143579     15.95235922      1.53876613
  H     -2.65336603     14.19895991     -0.38913956
  H     -0.45736641     13.29516867     -3.06800376
  O     -0.89639867     13.74064323      3.33243708
  H     -1.87906260     15.44338067      0.09634364
  H      1.95311029     15.07177153     -2.84422051
  O      0.08814768     12.51980751     -2.88441656
  H      3.06063407     13.82699989     -0.03132307
  H      0.51642812     15.63205279     -2.79487061
  O      1.42327850     15.81014235     -2.51508034
  H      3.02924819     12.34376682      0.34607794
  H      0.26744846     12.51452446      3.71135682
  O      0.83952556     11.74398283      3.88450429
  H     -1.25175568      9.47543499      2.53893738
  H      1.20625160     11.86357272      4.75622667
          69
 Energy    -248.36816828997934     
  O     14.32310963      3.30090862    -13.78700083
  H     14.58350532      2.44336392    -14.11302039
  H     14.54953534     11.18379339    -12.07525049
  O     15.05068047     11.20527477    -13.87509873
  H     15.13141770      3.83789875    -13.72908489
  H     15.51638569      7.87441353     -8.73850226
  O     17.82367647      9.11604144    -10.63638867
  H     15.87394074     10.70667905    -13.74227898
  H     15.42928424      7.58158167    -10.24833083
  O     14.48232692      9.14946317     -7.82443210
  H     15.27371587     11.95791571    -14.41736986
  H     14.88422950      7.92058653    -12.53250373
  O     12.55229325      9.60666014    -13.92551570
  H     17.23953061      8.47887491    -10.20029566
  H     14.37574889      9.00990072    -11.53034948
  O     19.18362118      5.27032826    -13.97323457
  H     18.70767871      8.72998778    -10.62668577
  H     12.34292045      5.69980582    -13.32069367
  O     13.30779710      7.48474623    -15.67439308
  H     13.69435552      9.30692575     -8.37413206
  H     13.02465812      4.60362956    -14.16800749
  O     16.45578559      4.96381357    -10.62574486
  H     14.19511271      9.21048819     -6.91722740
  H     19.91169699      6.81352113    -10.84087855
  O     12.42040915      9.74913255     -9.52909361
  H     13.32207846     10.18520481    -13.93422448
  H     21.05984562      7.72723131    -10.34574565
  O     19.59516939      7.92966174    -13.62119628
  H     12.74102979      8.91305253    -14.57011958
  H     15.89812188      6.58203090    -13.95667735
  O     16.22231060     11.00538371     -9.27496734
  H     19.82748124      4.92387141    -14.58477597
  H     14.90273595      7.48997967    -14.75805089
  O     14.29026035     10.86359220    -11.20547002
  H     19.32885992      6.23258999    -13.92740841
  H     16.74069278      8.81196033    -13.67765011
  O     15.96673452      7.41290338     -9.45551533
  H     13.07060810      7.39089033    -16.59245024
  H     17.37960894      9.46283810    -12.40477859
  O     14.52992167      8.06341874    -11.64637263
  H     12.95104212      6.70672992    -15.20617651
  H     18.32718631      5.01926772    -10.82187312
  O     12.47513094      5.39414568    -14.22882437
  H     16.35556570      5.77257045    -10.10457325
  H     19.28126737      5.07354617    -12.03515870
  O     20.24941717      7.72738166    -10.84740133
  H     15.58366789      4.54154180    -10.63596931
  H     10.03939132      9.11051381    -12.03316190
  O     15.64013481      7.49632657    -14.13528523
  H     11.80574555      9.33744212    -10.14477440
  H     11.49224870      9.11694960    -12.54862573
  O     17.23890833      9.58041035    -13.35589500
  H     12.97715270     10.31160129    -10.08925926
  H     17.40994398      4.98818135    -13.68852462
  O     19.23576175      5.22032961    -11.08285691
  H     18.89276426      8.58830109    -13.66929449
  H     16.48163299      5.00170970    -12.43484424
  O     10.91769600      8.79814821    -11.83111200
  H     19.93372160      7.96675038    -12.71703330
  H     13.90723965      3.64207031    -11.89462266
  O     16.48750099      4.95792983    -13.40337775
  H     15.74482121     10.43729916     -8.65760978
  H     13.25672363      4.77202065    -11.07907752
  O     13.88964613      4.04460836    -11.01871557
  H     16.91261867     10.45776189     -9.67341151
  H     11.63200373      7.03101935    -11.60289545
  O     12.34120717      6.37780034    -11.60254845
  H     15.01035657     11.05054582    -10.58363829
  H     13.14839994      6.91360421    -11.57055436
          69
 Energy    -248.36812864781299     
  O     10.69653765      9.56078739    -11.77480539
  H     11.40947115     10.19060496    -11.93907340
  H     19.26143464      7.71268453    -17.23013594
  O     14.21276417      7.79853260    -15.69592252
  H     10.36520723      9.31034962    -12.64687278
  H     15.22871827     13.68806143    -13.26525842
  O     17.18322878      8.66282092    -10.44442199
  H     14.83871917      8.24737014    -15.10310129
  H     15.90365442     12.32111198    -13.51163101
  O     18.27188992     10.92984411    -16.24428078
  H     14.05581726      6.93062459    -15.30567946
  H     16.35584472      9.82549400    -13.99722039
  O     12.43052569      9.85281064    -15.19078093
  H     17.04815211      7.72513243    -10.26221274
  H     16.71303224      8.32293159    -13.92128589
  O     16.35661833      5.94357892    -10.13312742
  H     16.31132152      9.00248017    -10.68879564
  H     10.34296963      6.91108785    -10.07706310
  O     14.67337436      9.20622480    -11.55658116
  H     17.55227242     11.06866356    -16.87416128
  H     10.95302652      8.01762222    -10.96533445
  O     16.00032630     11.11087924    -17.93656116
  H     18.53698744     10.00832978    -16.34880684
  H     16.38948327      5.67492339    -11.99009524
  O     13.96932819      5.40261410    -14.23671286
  H     11.55599335      9.48091774    -15.02409642
  H     17.12117850      6.11301070    -13.27778610
  O     17.38040434     11.35618378    -13.71801122
  H     13.00356521      9.10723339    -15.42253216
  H     11.36598125      6.47311636    -12.43275167
  O     16.19533950      8.29179019    -17.62801039
  H     15.41935984      6.21513246    -10.10458260
  H     12.30006035      6.03813957    -13.59203288
  O     18.67933600      8.09359694    -16.57788212
  H     16.48189740      5.31298061     -9.42980968
  H     19.82342838      9.81029006    -11.72482425
  O     15.04723228     12.78097156    -13.49906220
  H     15.10599682      8.98311249    -12.39327315
  H     18.38625002      9.27829427    -11.49913548
  O     15.97251611      8.94067899    -13.97948991
  H     14.01561550      9.87362651    -11.78274472
  H     18.53852324      7.61829423    -14.80923191
  O     11.07824282      7.10390645    -10.65260322
  H     15.84462150     11.61912508    -18.72791690
  H     18.71218505      8.12413313    -13.34061775
  O     16.35337031      5.62659567    -12.95339514
  H     15.32906818     11.39108098    -17.28863765
  H     14.45092203     12.25432016    -15.25127380
  O     11.41721649      6.36966411    -13.39117865
  H     14.80492246      5.48912192    -13.74521894
  H     13.48664471     11.21403529    -15.86281917
  O     19.00888044      9.60478499    -12.17554269
  H     13.96075791      4.51803420    -14.59455519
  H     12.90187735      6.86846668    -10.27211345
  O     18.31756254      7.43146216    -13.88598649
  H     17.97536456     10.87221384    -13.13261705
  H     14.09602805      7.73722007    -10.69156716
  O     14.18589717     11.84462117    -16.08212507
  H     17.75323086     11.30735516    -14.61364306
  H     12.77012557     10.62143584    -13.55043969
  O     13.86267718      6.91227991    -10.23980896
  H     16.07090100      9.22897550    -17.82632160
  H     13.58949973     11.73706009    -12.86488665
  O     12.93224766     11.05132679    -12.69715884
  H     15.44549111      8.03367628    -17.07628106
  H      9.29781794      8.24552172    -14.79499883
  O     10.11161777      8.51918908    -14.38155220
  H     17.78544096      8.09299452    -16.96705000
  H     10.56965591      7.70771466    -14.09315556
          69
 Energy    -248.36804728969275     
  O     16.08068345     10.49319585    -16.34122673
  H     16.76430527      9.90063695    -16.67677483
  H     19.47107938      7.07022221    -16.55598585
  O     14.11822156      6.27221420    -15.93034609
  H     16.52160474     11.03732302    -15.67686877
  H     17.80121371      8.17293163    -17.84804721
  O     18.32930614      7.18445381    -12.01746996
  H     13.97816485      6.06103510    -14.99620416
  H     17.65842718      8.13925256    -16.31551692
  O     16.68484094      7.30795537    -18.93327311
  H     13.43476564      6.89234326    -16.21474963
  H     16.55751920      8.04435646    -14.39771462
  O     14.26085985      7.96747241     -9.73079161
  H     19.17095322      7.28418025    -12.47784725
  H     15.67047208      7.23676647    -15.42004639
  O     14.22311813      5.89735919    -13.20397039
  H     17.78497617      7.93843957    -12.29263628
  H     13.76120133      9.52205080    -14.07116113
  O     16.71442394      9.17305503    -12.96796807
  H     16.40692955      6.44499151    -18.60909970
  H     14.50432773     10.05692725    -15.34018888
  O     17.55701390      4.88752102    -15.49776988
  H     15.90731894      7.88410954    -18.87217860
  H     16.34530232      4.26608572    -11.23134801
  O     13.44679130      5.33051263    -10.63437583
  H     15.17004755      7.62032009     -9.68783400
  H     16.34311339      3.23559108    -10.07885441
  O     19.57299468      9.96846003    -15.04511303
  H     14.08530040      8.38345374     -8.89103501
  H     12.72965223      8.88480115    -16.09104093
  O     15.71769354      4.84581617    -17.65330620
  H     13.78495134      5.62850993    -12.38350795
  H     11.44135095      8.47668725    -16.85140314
  O     19.87746271      6.40894385    -15.98450930
  H     15.13916925      5.59915927    -13.13024673
  H     20.38426663      7.13734760    -14.48167670
  O     18.17712658      8.53950649    -17.03311325
  H     16.91726023     10.06272488    -13.27939792
  H     21.51162150      7.53252897    -13.50027604
  O     16.57419769      7.42663897    -15.13837997
  H     15.78521983      9.12593739    -12.70445465
  H     17.41520734      5.69617152    -12.54498834
  O     13.63992991      9.82060457    -14.98042831
  H     17.28244145      5.79818330    -15.29490379
  H     17.15539561      4.68195160    -13.69501949
  O     16.02674666      4.10024678    -10.32758677
  H     17.04252515      4.64528175    -16.27689409
  H     17.39403826      6.98531804    -10.37506025
  O     12.36561474      8.26730801    -16.75315985
  H     13.57826123      6.19582027    -10.22760383
  H     16.54906439      5.85564542     -9.75681241
  O     20.57710331      7.63141624    -13.66480639
  H     14.23183483      4.81360644    -10.41068737
  H     14.03797960      8.52940867    -11.49100525
  O     16.87963987      4.93128976    -12.80406191
  H     19.23552120      9.54533572    -15.84659875
  H     14.10084622      7.69087260    -12.78282055
  O     16.72078243      6.80447340     -9.70705291
  H     19.95737065      9.26421377    -14.51077324
  H     17.86208354     12.42546269    -13.92455318
  O     14.09170140      8.60124084    -12.45277173
  H     15.21803962      4.20534892    -18.15379493
  H     18.36737143     11.06126025    -14.46392023
  O     17.57435764     11.55343501    -14.17902364
  H     15.08221603      5.30988180    -17.08135224
  H     13.76836308      8.79597500    -17.99248349
  O     14.59063743      9.07822839    -18.40868084
  H     19.21638716      5.71222614    -15.87760162
  H     14.96728063      9.73797362    -17.81488277
          69
 Energy    -248.36791934470580     
  O     14.39380683     12.53311724    -11.70270895
  H     14.12863491     12.77320698    -10.80644213
  H     11.57659137      5.37685502    -10.53219272
  O     17.29139054      9.75090468     -7.54383522
  H     15.18152113     11.98243659    -11.60896314
  H     12.71979520      6.07382891    -14.15643183
  O     16.43223712      6.23805618    -11.27835865
  H     17.19911269      8.81794343     -7.31602045
  H     14.06748686      6.43219520    -14.84612890
  O     13.16677942      4.73820197    -10.39829772
  H     16.41576072     10.04755730     -7.83046873
  H     11.54418739     11.21518924    -10.72867610
  O     18.57293937      7.05904029     -9.63758215
  H     16.04122516      5.51399872    -11.78316124
  H     10.79751585     10.46308335     -9.62171381
  O     17.16235084      6.90220241     -7.32134283
  H     15.90187394      6.31908335    -10.47238254
  H     15.58720027      8.11937140    -14.55604419
  O     16.41305948     10.57988656    -11.06481985
  H     13.75845910      5.18450100     -9.77819685
  H     15.22093949      8.53438495    -15.98943995
  O     13.32431187     12.78958969     -9.00649990
  H     13.71388320      4.48899951    -11.15262578
  H     19.64267174     10.39783246     -9.62374189
  O     10.38146886      8.50574149    -10.01408335
  H     18.73308525      7.99115274     -9.82905905
  H     18.34594559      9.91947992     -8.92454854
  O     14.87053724     10.48157310     -8.71893215
  H     17.97912520      6.72884194    -10.32503138
  H     14.29562966      7.10519817     -8.94136518
  O     13.48008916      8.42564232    -12.07978416
  H     17.58823693      6.35333518     -6.66819741
  H     15.58617814      6.53766433     -8.25911723
  O     10.68825931      5.75296210    -10.67148034
  H     17.73648242      6.90049946     -8.10946046
  H     12.75919877     10.04392840    -12.30780151
  O     13.57393125      5.71414850    -14.42434097
  H     17.31726890     10.45653474    -10.74881521
  H     12.98574078     11.57127740    -12.30619149
  O     11.19698237     11.31274431     -9.82988958
  H     15.85042925     10.50735019    -10.28031557
  H     10.83309022      7.72351436    -13.19008965
  O     15.11389525      7.83219749    -15.35294192
  H     13.07520336     13.55734664     -8.49940515
  H     11.08010160      6.43698780    -12.36912784
  O     18.82710939      9.92688461     -9.77286288
  H     12.50308327     12.30757339     -9.21108012
  H      9.29456148      9.86846429    -13.12333060
  O     14.91314379      6.35995439     -8.92666231
  H     10.41549119      7.54373112    -10.10495312
  H     10.78582753     10.03181024    -12.75324135
  O     12.30160624     10.89363936    -12.39788319
  H     10.18809958      8.82979160    -10.90334591
  H     14.44337328      4.76708181    -13.29441475
  O     11.35778196      6.91369796    -13.16294932
  H     14.21779193      9.78309905     -8.86487219
  H     15.17230139      3.43706794    -12.98727842
  O     10.04386740      9.40308786    -12.76006428
  H     14.39038909     11.31877760     -8.70334091
  H     12.18420080      8.48757670     -9.35486415
  O     14.92249318      4.27326562    -12.60386947
  H     12.90475282      7.79183144    -12.52374249
  H     13.35507866      8.40478826    -10.33178469
  O     13.14465088      8.42890431     -9.38400654
  H     14.36622786      8.36904949    -12.45649435
  H     16.34582768      7.69429039    -12.33657244
  O     16.13513989      8.47676541    -12.86706198
  H     10.06643180      5.05141502    -10.49610878
  H     16.27486604      9.25431865    -12.30945258
          69
 Energy    -248.36791526556749     
  O     12.11304293     12.62448462    -15.02642219
  H     11.34830195     13.18186348    -14.90900933
  H     14.95967809      8.46449903    -18.68815755
  O     18.30573265      7.12597618    -14.25342348
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  H     14.37799316      9.37981625    -13.66977662
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  H     15.57787547      9.63485089    -12.70040842
  O     16.16578078      5.36089936    -13.49755478
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  H     13.68246064     10.53358826    -16.69035569
  O     15.13970636      6.78614131    -11.46018374
  H     16.02549013     13.85204104    -14.60959988
  H     12.43530623     11.01908621    -15.93475923
  O     13.46989512     12.22826696    -12.70528220
  H     17.23154221     13.33830685    -13.75714751
  H     18.94228770      8.40131045    -13.26581475
  O     13.53859206      7.88351628    -17.82867917
  H     16.25670320      4.44672533    -13.24314459
  H     20.09210265      8.86689656    -12.34300928
  O     16.74351711      9.03838280    -11.33429614
  H     15.78215480      5.82990885    -12.73412593
  H     12.62862378      8.15982610    -12.52584869
  O     17.06976432      8.15906650    -16.55272824
  H     14.24424278      7.13534119    -11.39280945
  H     11.73691473      7.73717843    -11.33803970
  O     14.85768088      6.73521654    -15.56246453
  H     15.73225618      7.53201099    -11.28767319
  H     15.72324391     14.21768746    -12.39811873
  O     16.92128597     10.60037351    -15.27552366
  H     14.09121939     11.52606487    -12.95279993
  H     15.14544000     15.02182123    -11.20491599
  O     15.79876162      8.85194801    -18.99634088
  H     13.99086394     12.94775590    -12.32531998
  H     18.62770444     10.90438980    -12.87667011
  O     15.05161874     10.02069292    -13.41183325
  H     13.09497966      8.62647713    -17.40027920
  H     17.48015646     11.70621634    -12.24481675
  O     12.84645044     10.22953682    -16.30820426
  H     13.85070758      7.31286782    -17.11443716
  H     15.30053430     11.23464590    -10.44612502
  O     19.22565462      9.10929526    -12.65948828
  H     17.63054482      9.00465824    -11.71331706
  H     15.95506850     12.56715236    -10.82497899
  O     12.59948765      8.08161867    -11.55787091
  H     16.64414618      9.90633780    -10.91870081
  H     15.49344780     10.50887462    -18.08689775
  O     15.20306154     14.14630158    -11.57571580
  H     16.80293182      8.33030236    -17.46328069
  H     15.92080019     11.04199054    -16.69753659
  O     18.10610774     11.71171236    -12.97908208
  H     17.10609432      9.02031293    -16.10922803
  H     13.30890803     11.16927541    -11.10474138
  O     16.15819038     11.63928785    -10.65759143
  H     15.60807392      7.24239265    -15.90421658
  H     13.28350056      9.69661554    -10.68375820
  O     15.26981375     11.15479835    -17.40755481
  H     15.22776289      6.13127899    -14.90658643
  H     13.85495045     13.33622485    -15.64013462
  O     13.59849852     10.56491506    -10.40848646
  H     16.17793714     10.38289897    -14.68958446
  H     14.95496210     12.84223688    -16.58225093
  O     14.77035595     13.49411039    -15.89487243
  H     17.53316963     11.06659354    -14.69849810
  H     12.82919782      9.00232968    -14.95426317
  O     13.01995844      8.34191397    -14.27306344
  H     15.87200071      8.65245779    -19.92547908
  H     13.60986727      7.68865081    -14.67751270
          69
 Energy    -248.36789713133183     
  O     10.31007041      9.69778331    -12.41012498
  H     11.09101078     10.24337158    -12.57291834
  H     18.02687019      7.16265914    -16.02153682
  O     14.23295904      7.36569431    -15.48745843
  H     10.04676725      9.33994986    -13.26707287
  H     15.36161353     12.26034156    -14.26515678
  O     17.01252599     10.12693423     -9.95725338
  H     13.54931335      8.04822734    -15.55028486
  H     14.68206750     13.64988915    -14.26927425
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  H     13.97620700      6.76162586    -14.77599943
  H     16.00496560      9.64908005    -13.93520126
  O     15.39594663      5.60540453     -9.83047322
  H     17.21102241      9.17283645     -9.91528930
  H     15.17724052      8.36273791    -14.28126021
  O     13.61970798      5.87522051    -13.24949820
  H     17.32811731     10.51044707     -9.14344347
  H      9.90086910      7.47648430    -10.19459805
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  H     11.49733259      9.04380257    -15.32469546
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  H     18.32436132      7.17960668    -13.73081824
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  H     14.63124722      6.14552742    -10.09183924
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  H     13.50462547      6.40043563    -12.44633531
  H     18.55063385      9.24292112    -12.58813583
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  H     14.94841811      9.31279311    -12.08696965
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  H     16.83855070      6.81891325     -9.89721817
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  H     16.69346372      9.23099613    -16.96971279
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  H     16.81503369      5.64927014    -12.72759718
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  H     15.96743216      5.05606362    -11.59199818
  H     13.74799549      8.10507850    -10.85200091
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  H     12.41350914      7.31265237    -10.67988985
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  H     16.96331100     10.92674272    -15.22197488
  H     13.28626404     11.62688016    -13.41967365
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  H     15.65852058      7.26287019    -16.52342060
  H     13.34831609     10.53806224    -12.32059749
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  H     16.31135190      6.85219170    -17.86061469
  H     10.19736894      7.45800246    -14.40153625
  O      9.89657363      8.26184409    -14.86276628
  H     19.45061526      7.72101751    -15.90268795
  H      9.12537796      8.02053136    -15.36807458
          69
 Energy    -248.36787388558827     
  O     -2.80285671      1.01049730      3.77761869
  H     -2.89043104      1.00533540      4.74115653
  H     -4.79450887     -1.99219594      4.74674282
  O     -1.98993041      3.62908142      6.90958830
  H     -2.79599434      0.09375346      3.47333603
  H     -1.88250299     -3.84297955      7.35894540
  O      1.14691653     -1.71677192      1.13050791
  H     -1.85231976      3.97600882      6.01005237
  H     -1.51893005     -2.98938916      6.12308190
  O      2.21982887      0.59589807      2.35045854
  H     -2.25676391      4.36758381      7.45042733
  H      0.00104601     -0.56532961      6.92837649
  O     -1.41581113     -0.57671328      0.56400463
  H      1.65256173     -0.97868113      1.49238726
  H     -1.13743461     -1.32678367      7.62327791
  O     -2.50544799     -1.59383103      2.86736807
  H      0.30626734     -1.33876728      0.84556464
  H     -0.32424623      2.74592186      7.33420283
  O     -2.90125318      3.21780305      2.20511441
  H      2.29113997      1.40011722      1.82206745
  H      0.11386192      1.33647110      7.75513269
  O     -1.55058305      4.50152139      4.39254414
  H      1.38051924      0.68547039      2.82918239
  H     -3.97118105     -0.54416753      6.47497904
  O      1.02810540      3.77692288      3.76313082
  H     -1.91557239     -0.90285412     -0.18139041
  H     -3.56740824     -2.02096793      6.63680624
  O      1.79049455      3.06337034      1.09832527
  H     -1.82609702     -0.95886316      1.35798392
  H     -0.97183109      1.15460815      3.79924126
  O     -0.62041969     -2.76639049      4.59261096
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  O     -4.93941995     -2.30164224      3.83549616
  H     -3.38514416     -1.92302106      3.10723317
  H      0.94158672     -3.21574209      2.03962787
  O     -1.96054538     -2.96716314      6.98924897
  H     -2.96291674      2.42032965      2.76060348
  H      1.10821108     -4.74372114      2.12403590
  O     -0.70632022     -0.46523599      7.58423837
  H     -3.78868250      3.42624535      1.92394640
  H      1.89103652      2.49130263      6.40043718
  O      0.45424336      2.20132393      7.50257463
  H     -2.04046496      4.19731192      3.62112697
  H      2.98477855      1.84323799      5.50866984
  O     -4.28680785     -1.44689458      6.34416323
  H     -0.61300756      4.39318422      4.17396905
  H      3.23869750      0.28128136      3.81555965
  O     -0.01312536      1.16964022      3.88693092
  H      1.41276285      3.65663582      2.88813806
  H      4.50362927     -0.14978899      4.59265388
  O      0.75090112     -3.99417459      2.59117888
  H      1.67496691      3.49923657      4.43248264
  H     -1.46945486      2.63520277      1.10657931
  O      2.55136503      2.67686537      5.71490926
  H      2.09487269      3.59612991      0.36921188
  H     -0.94834187      1.27350709      0.59934160
  O      3.59985126      0.13254116      4.70570269
  H      0.88064628      2.78445247      0.88373518
  H     -2.10528398      0.50923583      6.90381859
  O     -0.73985905      2.21494557      0.63493938
  H     -0.16689387     -3.31904962      3.93878033
  H     -2.68463673      1.93212686      6.72400873
  O     -2.85322645      1.00009718      6.53440953
  H      0.01795096     -2.09916928      4.88277282
  H      0.62913695     -0.01807105      5.00316046
  O      1.05076568     -0.74543809      5.48988059
  H     -5.82333307     -2.65614912      3.81307729
  H      1.99929260     -0.61947975      5.38203031
          69
 Energy    -248.36786373832729     
  O     13.30659457     13.75120540    -11.06710890
  H     12.88631356     12.93773917    -10.74674360
  H     12.89498453     11.34789826    -15.60480710
  O     15.69612133     12.30751347    -17.42631948
  H     14.13911335     13.88155625    -10.60034271
  H     15.05754758     15.37377397    -17.77520009
  O     13.75938976      9.28565599    -11.50653198
  H     15.06161034     11.59967227    -17.25307125
  H     15.19048537     13.94009843    -17.20600277
  O     15.45853197     16.13508998    -12.31208584
  H     16.53550005     12.01005329    -17.05590952
  H     12.60879285     15.01297337    -14.64969975
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  H     13.75952187      8.36286884    -11.78975158
  H     13.30001827     14.74340183    -16.01125887
  O     13.67783092      6.69771071    -12.61875476
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  H     17.15796503     13.14736739    -10.86463953
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  H     15.82492244     15.71792650    -13.10546311
  H     18.46425996     12.39458164    -10.53809851
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  H     14.51376166     16.21822300    -12.48869740
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  H     18.21683081     11.88531159    -15.36814090
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  H     16.71189805     11.07149484    -11.93193572
  O     17.77131927     12.47064041    -11.19045510
  H     14.06170216     13.01848454    -12.56099359
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  H     13.75929307     12.36278696    -13.93588585
  H     12.76317655     15.06046802    -12.17952559
  O     18.06718964     11.30492191    -16.13566036
  H     11.68483691     10.81181660    -13.66951264
  H     11.87632473     16.25766287    -12.58147838
  O     12.75070159      7.76438161    -16.61373885
  H     12.27665072      9.91827194    -12.54221045
  H     12.10265595      7.25459118    -13.61088195
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  H     16.25340952      9.80821544    -14.04082985
  H     11.29448596      8.54875772    -13.81545388
  O     12.65882082     15.77206264    -12.83333551
  H     16.96642287     10.00735901    -15.40155365
  H     15.85120380     15.09757866    -10.98365445
  O     11.49273712      7.69160969    -14.21708644
  H     18.25273932     12.78236074    -13.07028448
  H     16.11333263     14.94592561     -9.46686652
  O     15.98892363     14.44657581    -10.27049743
  H     17.65967049     13.62595155    -14.21200720
  H     15.80772314     14.78149610    -15.36230512
  O     16.13615397     14.56421424    -14.48181156
  H     12.31096748     12.77867738    -15.27072928
  H     15.54729092     13.87930534    -14.12791635
          69
 Energy    -248.36780899293166     
  O     -3.79582850      1.39656532      4.44279614
  H     -4.29385686      0.72342573      4.92365660
  H     -4.22244228     -2.10678868      2.43871523
  O      0.29873321      4.97983950      1.50125905
  H     -4.20174883      2.26202206      4.57027458
  H     -3.07225264      3.59888210      1.03392293
  O     -0.63428165      0.05542646      1.42063543
  H      0.44456344      4.30069956      0.81792233
  H     -3.91321236      2.31689567      0.81505463
  O     -5.38452570      0.65843915     -1.91536514
  H      0.74616831      5.76754655      1.20424132
  H     -7.38509374      1.94519663      0.46409292
  O     -3.11965355     -0.75597882     -1.66047612
  H      0.31940244      0.19915382      1.45536199
  H     -6.86120499      3.23555207     -0.17348439
  O     -4.40017183      0.89590819      1.73075093
  H     -0.95325166      0.55290129      0.65254327
  H      1.27190953      2.28515687      0.20433202
  O     -6.88721234      2.77739880      3.28996558
  H     -5.96258572      0.39423903     -1.18427433
  H     -0.02649185      2.46783529     -0.60498783
  O     -7.56227028     -1.76150795      2.27195394
  H     -5.43783168      1.62004093     -1.95428856
  H     -4.51995639      4.90230865      4.73210972
  O     -1.25019096      1.77947863      3.53973588
  H     -3.01289030     -1.32661184     -2.41673809
  H     -3.69957438      4.28300765      3.58324347
  O     -5.45965046      3.49639200     -1.52984869
  H     -3.95012626     -0.26308515     -1.79580957
  H     -1.86789647      3.34553088      2.88426749
  O     -6.75045312      0.17259204      0.43246005
  H     -3.91302458      0.08406547      1.53757343
  H     -1.39626163      4.64302471      2.19878615
  O     -4.87084912     -2.23530071      3.14069438
  H     -4.31976868      1.05953205      2.67771198
  H     -5.10611145     -1.36958295      6.19026368
  O     -3.52024682      3.07779950      0.35737404
  H     -7.09289343      2.92932190      2.35565093
  H     -4.99891169     -1.35479818      4.64556999
  O     -7.40033087      2.90820420      0.55396161
  H     -6.14686176      3.35228279      3.50240065
  H      1.05349104      3.73481567      2.82836318
  O      0.73564721      2.94535672     -0.25157671
  H     -7.62378457     -1.04414404      2.93160088
  H      0.44102488      2.54865473      3.59360714
  O     -4.46999875      4.14312261      4.15556924
  H     -8.34434185     -2.29652679      2.37268764
  H      2.90301706      0.72431619      1.60453265
  O     -2.18159668      4.19491864      2.53644688
  H     -1.09608054      1.12956533      2.84105334
  H      1.85594989      1.69825260      2.19716049
  O     -5.14927662     -0.79603706      5.43035130
  H     -2.08197672      1.54591018      3.97458106
  H     -7.33020426      1.12513833      3.84615444
  O      1.28422750      2.93386175      3.31345269
  H     -5.31296794      4.28066638     -2.05216917
  H     -6.78265714     -0.05039097      4.69937803
  O      2.01080521      1.04112136      1.49487154
  H     -4.73785351      3.45284442     -0.87967360
  H     -3.07869991     -1.34769130      0.14760320
  O     -7.49581902      0.20559779      4.10461816
  H     -5.98817174      0.47656632      0.94927129
  H     -2.10486204     -1.10099537      1.32357228
  O     -2.99109114     -1.42346371      1.10711292
  H     -7.13720011     -0.55371878      0.93351095
  H     -2.25963270      2.06127031     -0.47656350
  O     -1.58297340      1.45245792     -0.80546504
  H     -5.74483049     -2.18235067      2.73203792
  H     -2.04536509      0.71662126     -1.22516616
          69
 Energy    -248.36778085196630     
  O     -3.83491783     -0.83763599      2.74744558
  H     -3.01024029     -1.05207361      2.28869256
  H     -6.16373809     -3.99461373     -0.25930666
  O     -0.04773161      3.33495320      2.98755701
  H     -3.68762118     -0.02464225      3.24867222
  H     -3.51269519      1.91871300      0.03926595
  O     -1.58246737     -1.28655297      1.22519202
  H     -0.95586874      3.58014797      2.74337452
  H     -3.58946115      3.17831294     -0.83855389
  O     -4.88245532      1.08534655     -2.79975406
  H      0.38546786      4.13719675      3.26875375
  H     -5.71805450      2.10405653      0.82507927
  O     -2.46723950     -0.48921292     -2.70227813
  H     -0.83839416     -1.31182881      1.83982159
  H     -6.07248943      3.28554761     -0.08093085
  O     -4.66314087      0.69816283      0.59101061
  H     -1.41348231     -0.54890452      0.62242639
  H      0.66850718      2.02776330      1.80303613
  O     -6.26275229      1.94895688      3.60309807
  H     -5.50006093      0.46543401     -2.38527565
  H      0.39255333      1.15323862      0.55146182
  O     -8.18379063      0.73913942      0.44657066
  H     -4.03323581      0.62969596     -2.82703155
  H     -2.71898109      3.46528264      1.35077076
  O     -3.46478283      1.65126597      3.93541257
  H     -2.75130625     -1.20195240     -2.10094361
  H     -3.44777053      4.30559904      2.43549196
  O     -5.23504357      3.55907101     -1.77351404
  H     -2.13831685     -0.91371712     -3.49073604
  H     -5.64205403      4.53942630      3.43208032
  O     -6.40286845     -0.58437779     -1.19312700
  H     -5.17264112      0.18689648     -0.05044795
  H     -5.61252351      4.29976241      1.91932214
  O     -5.79898708     -3.12066667     -0.15070380
  H     -4.44092560      0.12117426      1.33036871
  H     -5.33438024     -1.83940347      2.61702919
  O     -3.00593275      2.70037809     -0.23942370
  H     -5.32884220      1.83250642      3.82767478
  H     -6.85761113     -1.61054736      2.64235776
  O     -6.24962497      2.91697306      0.79462622
  H     -6.28517832      2.37196502      2.73789402
  H     -0.48859086      1.85002469      4.14909680
  O      0.96900615      1.24656933      1.32132397
  H     -7.77494868      1.60770713      0.52659910
  H     -0.42026399      0.31694120      4.15902275
  O     -2.64773584      3.79280394      2.25903723
  H     -8.21705137      0.38324640      1.34392676
  H      1.37446011     -1.33085994      3.19021568
  O     -5.19427194      4.80836511      2.62874073
  H     -3.23840702      2.37062907      3.33214851
  H      0.82087312     -0.13125292      2.38088103
  O     -6.18009888     -2.23447374      2.35863038
  H     -2.62309957      1.38858109      4.33845490
  H     -7.36483613      0.56332021      3.41468499
  O     -0.86434708      1.06694392      4.57140859
  H     -5.41722363      4.18682458     -2.46706850
  H     -8.64293063     -0.20176922      3.82428466
  O      0.57074079     -0.86939842      2.96700708
  H     -5.14072849      2.68716603     -2.20129158
  H     -4.00591317     -2.68945348     -0.60692407
  O     -7.96603535     -0.15478315      3.15358775
  H     -6.29885467     -1.50841220     -0.93617675
  H     -2.62578521     -2.19391329     -0.08945602
  O     -3.13820561     -2.37676059     -0.88732489
  H     -7.13814880     -0.20922272     -0.68489333
  H     -1.61697265      1.57452448     -0.50931938
  O     -1.04725496      0.80100761     -0.62427502
  H     -5.96737526     -2.85726222      0.77245069
  H     -1.37965630      0.35880503     -1.41554716
          69
 Energy    -248.36775639278375     
  O     13.60620766      9.61874500    -11.08022017
  H     13.53565239     10.11933754    -11.90484197
  H     12.56767213      8.18278192    -10.65776957
  O     13.76944763      9.76220044    -17.02677606
  H     14.08896415     10.15381667    -10.43821075
  H     18.52007803      7.31351272    -12.48929152
  O     16.45377912     10.95580011    -13.56321680
  H     13.52995390     10.64692769    -16.72250481
  H     18.41449243      7.68208262    -13.98578172
  O     14.36613039      4.42033383    -12.90917959
  H     13.36373092      9.15070533    -16.40047124
  H     14.41685717     12.47416207    -15.90883781
  O     15.92035397      8.36513487     -8.40722117
  H     16.81303787     10.93132786    -12.66445755
  H     13.05002024     13.18353082    -16.07578833
  O     16.16149341     12.36252554    -15.96701965
  H     15.50175207     10.80576435    -13.50926918
  H     12.51439730      7.52793625    -14.23697621
  O     15.39316387      7.60147634    -11.88277603
  H     14.61684744      4.49520801    -11.97756859
  H     13.88822214      7.82719252    -14.84787591
  O     13.62939767     10.62333389    -13.62267644
  H     15.19960089      4.46459625    -13.39114484
  H     16.62654110      9.82683159    -18.43117518
  O     17.38878765     10.67046900    -11.01427298
  H     15.24627128      7.67451930     -8.39179396
  H     15.50641330      9.79956899    -17.36687409
  O     16.92092178      4.90529057    -14.17339570
  H     16.62121692      8.07042312     -8.99759539
  H     11.39903701      5.46347110    -13.25897589
  O     18.03143896      5.24255817     -9.94361573
  H     16.39001394     11.65379233    -16.58043850
  H     12.92855106      5.46160403    -13.06763994
  O     12.22147401      7.29723182    -10.47428101
  H     16.39875952     12.03038062    -15.08906731
  H     13.25266765      6.19987922     -7.67926398
  O     18.56382405      6.94526246    -13.37727441
  H     14.76794072      8.29089625    -11.62570810
  H     13.16035724      6.73684675     -9.12933661
  O     13.45263341     12.35473309    -15.83302272
  H     15.38327254      7.51578097    -12.84269360
  H     14.77221514      5.46069207     -9.65136004
  O     12.98261154      8.17304712    -14.77782719
  H     13.35388189      9.78138150    -14.01493088
  H     15.30088295      6.03815537    -10.97997343
  O     16.46211321      9.93180024    -17.49776294
  H     13.45873568     11.30504329    -14.28325427
  H     16.98162115      7.82140842    -11.12967854
  O     12.14201219      6.03394399    -13.07437829
  H     16.70927498     10.84758272    -10.35278804
  H     18.05361430      6.98339222    -10.36355566
  O     13.77891077      6.43942597     -8.43691404
  H     17.72148318      9.78372984    -10.82688661
  H     16.23129861      7.87705188    -14.88863373
  O     15.30094225      5.23928902    -10.42760626
  H     17.55506066      5.55965905    -13.82902372
  H     15.90357147      6.37769136    -14.66143577
  O     17.83148232      7.87850570    -10.66143146
  H     17.41851283      4.31690536    -14.73565449
  H     15.45941793      9.99090659     -8.78101199
  O     15.51257742      7.25847505    -14.69818589
  H     17.08374483      5.08916435    -10.08765004
  H     15.12652749     11.46019570     -8.41632578
  O     15.21849671     10.86020043     -9.15112800
  H     18.47121960      4.42664850    -10.16851026
  H     17.38290358      9.27329158    -15.99887440
  O     17.61025037      9.00022581    -15.10099984
  H     12.15232740      6.85623609    -11.32860969
  H     17.29105886      9.70468495    -14.51521934
          69
 Energy    -248.36753744617340     
  O     12.97886500      9.61970047    -10.86951392
  H     13.66018446      9.71720776    -10.19359527
  H     13.61687876     14.90503044     -7.07135493
  O     10.95601008      6.97144291    -12.97498541
  H     13.32609422      9.04183632    -11.55931088
  H     11.85035761     11.03257003    -10.65088690
  O     14.65862840     10.18548065     -8.65988952
  H     10.46666757      6.34417327    -13.49928879
  H     10.45339738     11.17392252     -9.96237917
  O     15.84222753      7.64440074    -10.83044346
  H     11.01593935      7.79190335    -13.50024247
  H     11.59291943      7.41556798     -8.70059470
  O     13.82410547     15.14778113    -11.85145857
  H     13.92630928     10.61285726     -8.19735320
  H     11.65146625      8.13028760     -7.33721314
  O      9.43445523      9.96604160     -9.12444060
  H     14.74903068      9.28025686     -8.33694714
  H     10.56224462      9.92500028     -5.72122116
  O     14.26550495     12.47555412    -12.59206670
  H     15.49272642      7.49561334     -9.94545727
  H     11.43410940     10.42822846     -6.89377060
  O     15.40595420     14.32900579     -9.60380597
  H     15.12462589      7.44951284    -11.45003937
  H     13.78928075      7.37507962     -8.04437492
  O     10.86166841      7.88265924    -10.33575152
  H     13.05643812     14.93410244    -11.29048407
  H     15.14672393      6.86825558     -7.50419724
  O     11.86486376     14.41077015    -10.12019472
  H     13.60221466     15.93909153    -12.33403666
  H     15.57362470     11.21562807     -9.76949726
  O     15.66132636     10.54316918    -14.05255266
  H      9.73801042      9.16726113     -9.57960321
  H     16.56459137     11.12741383    -10.95077735
  O     13.47189933     14.21742649     -7.71544073
  H      9.71432917      9.85820205     -8.20845590
  H     12.26326955      9.08980402    -14.80718640
  O     11.20868753     11.67422308    -10.30807814
  H     14.77145127     12.18121171    -11.82222118
  H     11.38857498     10.08884128    -14.02004724
  O     12.07376199      7.43988460     -7.86193056
  H     14.14964613     13.42804318    -12.48826593
  H     11.16589344     11.83565179    -12.35388224
  O     10.85719891      9.70344361     -6.60106983
  H     15.75269572     13.47007266     -9.88197679
  H     12.53230982     11.92448215    -13.03900274
  O     14.75489444      7.44756114     -8.15218287
  H     15.01188915     14.72373919    -10.39154408
  H     14.45286193      8.41262994    -16.01959172
  O     15.98210157     11.73412781    -10.47844960
  H     11.59093153      8.50927942    -10.45895270
  H     14.68039519      9.38148346    -14.83504915
  O     11.39073808      9.20373751    -14.41239083
  H     10.73229279      7.46618326    -11.19565503
  H     18.21708037      9.41700010    -11.92486523
  O     11.60683969     11.68978652    -13.19551664
  H     11.54894263     13.50538932    -10.24174666
  H     16.81723689      8.93359567    -11.47774317
  O     14.10498058      8.66987181    -15.17060639
  H     12.27442893     14.43529887     -9.24744366
  H     12.83884729      7.15956614    -12.68294213
  O     17.30255815      9.68118374    -11.87053977
  H     15.17977913     11.28954651    -13.67054715
  H     13.93188310      7.85208474    -13.52454827
  O     13.73206513      7.52166343    -12.63818259
  H     16.28169831     10.24493995    -13.37686132
  H     12.81010120     12.52434457     -7.60366500
  O     12.44432885     11.64210848     -7.75221765
  H     14.21943935     14.25579613     -8.33965698
  H     12.00135679     11.67048603     -8.61176542
          69
 Ord_Energy   -248.367462    
 O   -9.01162148      0.430668741       8.22956085    
 H   -8.12411213      0.802720726       8.37157917    
 H   -9.21646786      -8.88095275E-02   9.00287247    
 O   -7.57185555       4.39593124       8.76140118    
 H   -7.08550119       4.80691814       8.02251244    
 H   -7.59553528       5.03578854       9.46704674    
 O   -6.72737360      -1.70298469       4.43118286    
 H   -7.54566383      -1.28480041       4.73122120    
 H   -6.54645205      -1.35397565       3.55023599    
 O   -1.03631806       3.39399791       3.75268483    
 H   -1.96584213       3.44535351       3.48742962    
 H  -0.854804754       2.45295358       3.86697102    
 O   -5.88670826     -0.476643026       1.92098808    
 H   -6.54385805      0.210374191       1.72612023    
 H   -5.87985039      -1.06554830       1.16888511    
 O   -3.82622790       3.20543075       3.48362708    
 H   -4.61118746       3.46155882       2.97816467    
 H   -3.96004486       3.46384692       4.40487003    
 O   -4.78101492     -0.132780626       5.54743433    
 H   -4.23800659       4.35276106E-02   4.76887846    
 H   -5.41672325     -0.817931950       5.29555273    
 O   -3.99347210       1.43183112       7.65765953    
 H   -3.02611756       1.44894433       7.62777805    
 H   -4.26447630      0.780062377       6.99254990    
 O   -9.71084213       1.47878027       3.28202176    
 H   -9.55662823      0.822817504       3.97523403    
 H   -10.0136547       2.27099776       3.74173069    
 O   -8.79506969      -4.12729308E-02   5.42587566    
 H   -8.12176895      0.656197429       5.38032866    
 H   -9.03840446      -8.11721608E-02   6.35703897    
 O   -9.76734066       3.09695578       7.44035816    
 H   -9.66170025       2.18166351       7.72429705    
 H   -9.09446907       3.60361290       7.91168451    
 O   -6.18046045       3.72317457       2.19865894    
 H   -6.67992449       2.97710633       1.85080481    
 H   -6.71385384       4.06504583       2.93102026    
 O   -1.11738968       4.37329006       6.28072834    
 H  -0.530628979       5.10847425       6.43300724    
 H   -1.00388753       4.10795593       5.35010338    
 O   -7.79458427       1.45835817       1.37620533    
 H   -8.23132706       1.62580705      0.544469893    
 H   -8.48870468       1.47621751       2.05928922    
 O   -1.00675941      0.579112053       4.32805824    
 H   -1.85244334      0.451185495       3.86819077    
 H  -0.444630623     -0.147350624       4.06918859    
 O   -3.89130235       3.87906504       6.22408104    
 H   -3.97413659       3.05202889       6.71698284    
 H   -2.97323251       4.16540432       6.31379175    
 O   -6.76004314       1.84633613       5.59021950    
 H   -6.78335476       1.95345092       6.55043316    
 H   -6.03642559       1.23036373       5.41716099    
 O   -6.62936592       1.79243708       8.42415810    
 H   -6.83141470       2.70604944       8.66738987    
 H   -5.67031574       1.69031870       8.34634590    
 O   -3.51151991      0.513320565       3.16068149    
 H   -4.25011826      0.156872571       2.65397334    
 H   -3.63878274       1.47482026       3.21878004    
 O   -10.3762665       3.74878812       4.87521172    
 H   -11.1538544       4.30039978       4.87468529    
 H   -10.2070656       3.50470495       5.80291510    
 O   -6.22844315       5.34325981       6.65167046    
 H   -5.36390638       4.92935896       6.52396679    
 H   -6.73730373       5.13980246       5.85523319    
 O   -1.31492770       1.60572016       7.04202509    
 H   -1.18517709       1.18767297       6.18216181    
 H   -1.12357318       2.54194951       6.90613985    
 O   -7.62866783       4.24568844       4.50345945    
 H   -8.59058762       4.20972490       4.55338240    
 H   -7.30709410       3.39108777       4.83334970    
          69
 Energy    -248.36723918915473     
  O     14.68989234     11.96659374    -12.30754720
  H     14.16668091     12.32652253    -11.58167247
  H     11.71249420      5.37533761    -10.76616015
  O     16.87696252     10.00861445     -7.15764492
  H     15.50480514     11.64514830    -11.90237947
  H     12.94276867      6.25793118    -13.98309576
  O     16.72365492      6.35977196    -10.83042321
  H     16.75771755      9.07975771     -6.92518078
  H     14.30810593      6.92208113    -14.38580416
  O     13.33107650      4.83189876    -10.41622180
  H     16.06036050     10.29555316     -7.58883224
  H     11.27086273     10.83711960    -11.56256986
  O     18.58259691      7.27313034     -8.90874387
  H     16.40790684      5.64641698    -11.39845684
  H     10.61006234     10.55066137    -10.22037568
  O     16.85208299      7.15613369     -6.82205604
  H     16.07594197      6.43334514    -10.11448030
  H     15.74920228      8.56582926    -14.16054875
  O     16.71693258     10.76675676    -10.72852336
  H     13.83422320      5.27363185     -9.71980909
  H     14.55859841      9.27205544    -14.83490214
  O     13.16792878     12.74535901     -9.99833194
  H     13.97831288      4.57265565    -11.08197124
  H     19.61716776     10.61459768     -8.71187961
  O     10.51256667      8.41081961    -10.33844714
  H     18.76785658      8.20250702     -9.09006819
  H     18.20142131     10.14941204     -8.28745386
  O     14.68952542     10.70500467     -8.78743090
  H     18.10526443      6.92351733     -9.67296137
  H     14.23578111      7.16248755     -8.73063412
  O     13.89842385      8.07594201    -11.82065258
  H     17.20858424      6.68547483     -6.07328551
  H     15.47177322      6.62843509     -7.95064698
  O     10.81609717      5.68765075    -10.98226977
  H     17.53741576      7.14502600     -7.51554287
  H     12.50691037      9.02877407    -12.40660568
  O     13.90461330      6.17003801    -13.92553617
  H     17.54901950     10.65105038    -10.25352755
  H     12.15741514     10.00630664    -13.53016172
  O     11.01686982     11.25802749    -10.72953198
  H     16.01764811     10.71002367    -10.06117358
  H     11.22555228      7.69055602    -13.50455155
  O     15.09305681      8.47064933    -14.86578707
  H     12.90609481     13.62427356     -9.73687040
  H     11.00808623      6.35370617    -12.76011610
  O     18.84810216     10.14102290     -9.01749495
  H     12.35232775     12.25987375    -10.21350957
  H     14.85893718      5.02505040    -13.04267774
  O     14.87995004      6.44143704     -8.68938863
  H     10.51067976      7.44985076    -10.45038281
  H     15.61972203      3.68413387    -12.90736505
  O     11.75841922      9.49145804    -12.81659463
  H     10.73592537      8.75864427    -11.21026348
  H     13.47506137     11.53494225    -15.19195862
  O     11.23680438      6.73367977    -13.61857725
  H     14.10432497      9.94016938     -8.88134643
  H     13.95332548     11.29518995    -13.74038253
  O     15.35416265      4.46058014    -12.42191924
  H     14.18687827     11.47555912     -9.07872800
  H     12.15644801      8.48912292     -9.37356752
  O     13.49206102     10.88487072    -14.49434567
  H     13.78414289      7.30554579    -12.38987351
  H     13.46076497      8.30784065    -10.15484308
  O     13.11343291      8.48254507     -9.26361931
  H     14.78179514      8.41148101    -12.02070311
  H     16.72943430      7.83505129    -11.92514820
  O     16.54121565      8.62349339    -12.45375843
  H     10.22551544      4.95931670    -10.80646985
  H     16.70492589      9.39350447    -11.89252674
          69
 Energy    -248.36702651004677     
  O     10.44464979     12.43877307    -12.58081702
  H     10.16351146     11.62546123    -12.14455737
  H     10.24883280     10.07897816    -10.25446936
  O     13.61942546      9.02262019    -17.44276085
  H     10.69398731     12.21125301    -13.48370599
  H     12.97289849     12.41301939    -14.08577876
  O     11.89979519      8.86374507    -12.28311197
  H     13.25529440      8.49014956    -18.14534751
  H     13.73091007     11.99933534    -12.80033204
  O     15.34101862      9.06597678    -15.15933086
  H     13.01287395      8.93874827    -16.68749482
  H     16.88655614     10.57778930    -11.79390603
  O     12.82967337     12.36404162     -9.36880521
  H     12.53683075      9.54425627    -12.00867411
  H     16.36287719      9.10532961    -11.84839932
  O     13.77572481     11.88738479    -16.96724326
  H     11.04745583      9.13535559    -11.92395545
  H     15.79092884      8.08687991    -13.75983513
  O     12.50699685      9.02806157    -14.92029570
  H     15.59938966      9.99733158    -15.07301022
  H     16.62795498      6.93399327    -13.16169019
  O     13.54899205      8.23313207     -8.62115908
  H     15.03750781      8.93791009    -16.06479542
  H     13.99215243     14.19131786    -12.66495118
  O     13.71174285     10.77921729    -11.50186473
  H     12.40228989     13.11221313     -9.80577590
  H     13.20696343     14.86698969    -11.54876727
  O     11.35504917     10.06719408     -8.92215229
  H     13.65639619     12.66328609     -8.97075231
  H     13.05342062      7.61717303    -11.56662585
  O     16.29533955     13.60541231    -10.94601640
  H     14.60096102     11.97830479    -16.47848210
  H     14.54346268      7.25105169    -11.72634981
  O      9.71569830     10.08356221    -11.07108364
  H     13.77385374     10.98343838    -17.30453899
  H     17.17504159     12.65057866    -12.05305356
  O     13.75218117     12.60874517    -13.55253633
  H     13.46596274      9.10482573    -14.82161437
  H     18.56945487     12.30035493    -12.62185266
  O     16.37882724      9.90951839    -11.31561921
  H     12.16964848      8.84659688    -14.03186134
  H     12.21914710     11.96880887    -15.87451857
  O     16.02000491      7.63268457    -12.93161580
  H     13.66842538      7.82508461     -9.49638466
  H     11.79977560     10.77220643    -15.02218582
  O     14.06866024     14.87115847    -11.97921640
  H     13.51356145      7.51682471     -7.99162546
  H     15.74717015     13.10078390     -7.51431216
  O     13.79543826      7.18098468    -11.12385703
  H     14.62396993     10.49325264    -11.36844689
  H     15.53912907     11.82768298     -8.37230119
  O     17.65319461     12.03796768    -12.64445652
  H     13.43637183     11.28983088    -10.72883114
  H     16.65839380     11.86083850    -14.27174524
  O     11.64246206     11.71926526    -15.13746962
  H     12.04203349      9.40348576     -8.79023232
  H     15.15439571     12.09393295    -14.44822820
  O     15.39911060     12.79227815     -8.34628406
  H     11.81514029     10.91880738     -8.94276533
  H     16.06471830      9.98741675     -9.50253554
  O     15.93406702     11.72296839    -14.89302156
  H     15.56181365     14.14271928    -11.28008802
  H     14.95895661      9.50130878     -8.54230416
  O     15.69059791     10.12516910     -8.62123585
  H     16.06414491     13.36622629    -10.04244410
  H     11.11077431     13.66970744    -11.52325526
  O     11.47724021     14.29245503    -10.87008165
  H      8.82317151      9.86434944    -10.81838486
  H     10.78462188     14.91748946    -10.67331165
          69
 Energy    -248.36697519477801     
  O     14.02286561     11.74127571    -16.64478854
  H     13.72421080     11.38248782    -15.79066335
  H     15.99054174      4.60348081    -14.34229609
  O     15.70131376      5.84719320    -12.98204741
  H     13.52478663     12.54070762    -16.79303171
  H     17.40029079      9.70766206    -19.68154263
  O     18.72578587      8.97403478    -12.38948530
  H     15.08653542      6.46305967    -12.56202390
  H     17.24548425      8.58802399    -18.63089159
  O     17.61729057      6.93355776    -18.21751089
  H     16.54949903      5.92604297    -12.52439941
  H     15.54791091      7.59391190    -15.62831043
  O     15.53294408      5.08081890    -17.47812037
  H     19.55529549      8.82495407    -12.86429740
  H     16.10434519      7.00948010    -14.30844248
  O     17.18654134      9.91990797    -10.29151464
  H     18.15421276      9.43091681    -13.02570697
  H     13.78557164     10.70186666    -13.51712495
  O     14.02702309      7.84329720    -12.03321627
  H     16.91906707      6.29186165    -18.04201780
  H     12.87614205      9.75325485    -14.32590972
  O     17.04207205     10.11275247    -14.24715441
  H     18.21823344      6.88396894    -17.46257537
  H     17.40080284      5.15941661     -8.71964835
  O     19.08499537      4.61429273    -14.11594534
  H     15.85527515      4.71774474    -16.63382833
  H     16.80313555      6.38555325     -9.43418289
  O     15.58595971      7.64814772     -9.63584620
  H     15.29541554      4.33506170    -18.02318635
  H     11.55279436      7.58823834    -14.53585340
  O     18.90662353      6.92006698    -15.71637856
  H     17.81267374      9.58454916    -10.95461420
  H     12.96932628      7.60519778    -15.15113455
  O     16.41643881      4.14873788    -15.08241129
  H     17.68926481     10.47032881     -9.69603352
  H     20.13544831      7.94697210    -14.81327061
  O     17.00524021      9.50806654    -18.83659676
  H     13.38232748      7.78102320    -12.74896784
  H     21.27640157      8.97323920    -14.75736842
  O     16.29935642      7.62789284    -15.02487537
  H     14.42319252      8.72324565    -12.11158756
  H     18.45397416      7.14374331    -12.10601971
  O     13.21334682     10.65615547    -14.29332299
  H     17.08405454     10.66311191    -15.04052637
  H     18.15321776      6.00072066    -11.07642131
  O     17.55007694      5.76216940     -9.44244510
  H     16.74121039      9.23847931    -14.53980652
  H     14.08431408     10.20554697    -17.72947283
  O     12.44668295      7.88337182    -14.37993586
  H     18.86708639      5.13425220    -13.32264914
  H     15.15707708      9.42652720    -18.51418620
  O     20.72021251      8.42761002    -14.20615701
  H     19.83894170      4.07527717    -13.89118246
  H     15.80000433     10.38321107    -13.01654763
  O     18.30598647      6.19422112    -12.01400663
  H     16.10114026      8.45403902     -9.77213892
  H     15.73091790     10.41588055    -11.48073443
  O     14.24639162      9.37592930    -18.19646665
  H     14.91403114      7.63966272    -10.32758655
  H     16.99920803     10.77078815    -17.38997876
  O     15.17936182     10.39084595    -12.26997140
  H     18.00383833      7.20126516    -15.50237625
  H     15.91848850     11.60181123    -16.67298304
  O     16.85912178     11.38157716    -16.65591657
  H     19.04038743      6.07160407    -15.27427676
  H     14.39814269      6.46413550    -16.94707652
  O     13.99222731      7.24442075    -16.55054133
  H     17.35243685      4.13187900    -14.85202093
  H     14.02275167      7.97001598    -17.19532926
          69
 Energy    -248.36696523811707     
  O     13.58399084      9.34890643    -10.81943918
  H     13.48627206      9.98186314    -11.54370912
  H     18.08848033      4.63758340    -12.49505112
  O     14.20728959     11.11546887    -16.55102151
  H     12.91931967      8.64967906    -10.91285061
  H     11.99262712      6.88213871    -12.07355547
  O     16.55650889     11.09827985    -12.63800438
  H     13.76012838     10.33883058    -16.19518037
  H     12.47964416      6.43682566    -10.67960051
  O     15.61893910      6.75284460     -8.92502572
  H     13.91970851     11.85842493    -16.00505746
  H     18.86270954      7.66002695    -12.46752422
  O     16.43588307     13.21904539    -14.48032277
  H     15.60453701     10.96545430    -12.72331186
  H     18.89610225      8.40454960    -13.82716964
  O     15.48053801      7.77415093    -12.23961474
  H     16.82577066     10.79433123    -11.75931730
  H     14.69383496     13.32502733    -14.56814229
  O     13.73072617     10.85982585    -13.08049867
  H     15.40007185      7.65254455     -8.65017450
  H     13.33491114     14.06505212    -14.64666853
  O     17.77362398      7.27537498    -10.83702259
  H     16.44850663      6.82772121     -9.40849728
  H     12.81445319      8.09892102    -14.66586791
  O     17.29464668     10.02002849    -10.20823444
  H     16.73478489     12.74884831    -15.26834192
  H     14.19665317      8.60301581    -15.10062008
  O     18.90770102      5.04419988    -14.15019494
  H     16.61209914     12.62187095    -13.73958533
  H     17.17799483     11.62097965    -17.59050832
  O     16.24344052      5.34910464    -15.01322736
  H     15.56864661      8.02796781    -13.16750234
  H     15.97157422     11.25731566    -16.69606661
  O     17.59017897      4.64966712    -11.66624829
  H     14.85244550      8.35496280    -11.79540571
  H     12.00686081      5.66277138    -14.39919938
  O     12.01301181      7.14275236    -11.14518263
  H     13.61472350     11.71518598    -13.51112006
  H     13.24631731      5.85291719    -13.50798347
  O     19.20557010      7.61378078    -13.36677856
  H     13.51991787     10.18357219    -13.74055169
  H     13.46750171      4.47262261     -9.29974006
  O     13.72965010     13.19793930    -14.63176908
  H     17.87698328      6.32676929    -11.00402453
  H     14.38014366      5.69512464     -9.54960953
  O     13.27132724      8.88175143    -14.98763155
  H     16.97689226      7.53714431    -11.32941045
  H     14.34134719      4.94403155    -11.68569984
  O     16.92863825     11.43468356    -16.68908461
  H     16.60042379      9.93602167     -9.54317511
  H     15.05356862      6.08614036    -12.43212544
  O     12.46512062      6.30449565    -13.85952720
  H     17.67830584      9.13907814    -10.29439646
  H     16.03752505      7.11969916    -15.11252365
  O     13.69256211      5.13263595     -9.95001491
  H     19.71627732      4.69610223    -14.51529833
  H     16.63361553      8.57680167    -14.97222514
  O     14.74676486      5.16861157    -12.53368940
  H     19.07654833      5.97804808    -13.92731008
  H     14.60403943     10.02779620     -7.87727117
  O     15.82271002      8.05431044    -14.97896870
  H     17.16922715      5.16124458    -14.80597845
  H     14.45575297      9.50226491     -9.32724686
  O     15.03132278      9.49339301     -8.54110463
  H     15.73311127      5.06271829    -14.24754160
  H     17.76582318     10.33618846    -15.41782431
  O     17.94593912      9.79352621    -14.63988767
  H     16.66305416      4.60277036    -11.91814813
  H     17.52704008     10.24887827    -13.89280199
          69
 Energy    -248.36653970861028     
  O     10.84562742     12.31427469     -9.82370486
  H     11.32714779     12.58099355    -10.61764862
  H     15.04859974     10.33611437    -14.45067993
  O     12.84143047      6.75143063    -15.95665422
  H     10.42902235     11.47585185    -10.05232812
  H     15.31099605      6.89610543     -9.75188558
  O     10.01290788      9.64693966    -10.58216371
  H     13.09928310      6.05630007    -16.55597907
  H     16.55754891      6.25784992     -9.09643513
  O     13.26692378      7.32662304    -13.23162204
  H     13.13261091      7.59034369    -16.35685004
  H     13.20841370      7.37370636    -10.12957704
  O     15.01438422     13.72807770     -8.68556399
  H      9.27327419      9.16319854    -10.22315019
  H     13.61453422      6.75026251    -11.47908658
  O     13.46332818      9.19977157    -16.97670698
  H     10.81194027      9.31852090    -10.13224421
  H     12.94493091      9.53122542    -10.02087600
  O     11.21988465      9.20666525    -13.08144244
  H     13.17945579      6.98775943    -14.13068161
  H     12.56882417      9.09190257     -8.57316548
  O     13.01569479      9.66626685     -6.90155577
  H     12.54004682      7.95529885    -13.10703764
  H     16.86200588      8.38119338    -10.51353321
  O     13.98110483     10.60597855    -11.03767286
  H     15.39791399     14.40458669     -8.13279400
  H     16.95208513      9.91565783    -10.60782174
  O     12.74919927     12.17245925     -7.79148922
  H     14.64072542     14.17918661     -9.46154332
  H     11.63502391     11.28764957    -15.27872384
  O     12.55973392     12.73917942    -12.02557885
  H     14.03252467      9.77387280    -16.44934768
  H     13.07287526     11.35969293    -14.71327566
  O     14.80990885     10.94143320    -15.17559836
  H     12.62739868      9.67378316    -17.06819485
  H     15.90155693     12.14243409     -9.17784135
  O     16.15445035      7.09551377     -9.30837145
  H     11.53524066     10.03612880    -13.46376180
  H     16.07254404     10.65504842     -8.73207820
  O     13.77123717      6.69608326    -10.52832390
  H     10.73859844      9.41180605    -12.27123194
  H     14.68532010      8.47414193    -13.16003093
  O     12.39489858      8.91942770     -9.50728016
  H     12.63097048      9.58223232     -6.03403259
  H     15.97647990      9.11197904    -12.50028648
  O     17.06911821      9.10431249    -11.11926264
  H     12.92311298     10.60245728     -7.16364070
  H     10.21939626     10.71002384    -17.42188556
  O     12.14193810     11.48562920    -14.48133661
  H     14.71687237     10.86312947    -10.46354672
  H     10.58757761      9.61666148    -16.38914629
  O     16.16189423     11.26584702     -9.48236472
  H     14.36722960     10.13398059    -11.78593530
  H     14.84970053      9.36777373     -7.27881274
  O     15.26055347      9.25040573    -13.13946973
  H     12.05632841     12.27655310     -8.46014736
  H     15.87099518      8.51745798     -8.08084997
  O     10.88343741     10.45528076    -16.78746538
  H     13.48936278     12.72691923     -8.05853951
  H     13.38907982     14.16940852    -11.35561943
  O     15.76182962      9.34363787     -7.59240990
  H     12.31409599     12.47185472    -12.91870431
  H     13.35541841     15.67371460    -11.04578254
  O     13.85102054     14.87634188    -10.87612072
  H     13.05997310     11.99853834    -11.64665076
  H     11.06406294      7.50300087    -15.70181835
  O     10.34449429      8.11763839    -15.51300303
  H     15.54523805     11.53702389    -15.29208536
  H     10.49477109      8.41866175    -14.60547603
          69
 Energy    -248.36653090689740     
  O     -5.99746023      1.74531752     -0.11467831
  H     -5.27726672      2.35287780     -0.33860976
  H      1.51316327      2.51130350      4.08915148
  O     -5.26473048      1.85574511     -4.61549490
  H     -6.17740319      1.87179427      0.82497657
  H      0.30834842      3.76301510      2.12342088
  O     -6.09036448      2.05139939      2.66798762
  H     -5.01379737      0.91316055     -4.61145217
  H      0.23765914      3.58954802      0.60124175
  O     -0.62752149     -1.47152485      1.71515911
  H     -5.55547663      2.06020089     -5.50038117
  H     -3.45950943      3.13969098     -1.55650311
  O     -2.51775690     -1.01985337     -0.36911577
  H     -6.76045513      2.35655325      3.27359089
  H     -3.37166399      4.06962402     -0.28077047
  O     -4.50662803     -0.73154565     -4.33617730
  H     -5.33279674      2.65753067      2.75842829
  H      0.23511372      2.39084057     -1.46730254
  O     -5.27895472     -0.96650347     -0.10946228
  H     -1.21026246     -1.53267828      0.94849851
  H     -0.53440136      1.86907927     -0.21488141
  O     -2.06699425     -0.27768419     -2.94022365
  H     -1.21603979     -1.35533420      2.47082352
  H     -7.30554068     -2.15884530     -2.74757579
  O     -2.94022813      2.38754802     -3.14496598
  H     -2.33775383     -0.14620810      0.01639267
  H     -6.86414204     -0.68429165     -2.57099751
  O      1.28806265      0.56282720      1.60764938
  H     -3.47013124     -1.15372169     -0.27677375
  H     -2.04377368      0.87911494      3.63346480
  O     -2.49339817     -0.89131311      3.83114254
  H     -5.12467940     -1.17311096     -3.74016308
  H     -0.96914833      2.01156008      3.50865189
  O      0.80421862      2.44606800      3.45634540
  H     -3.64614642     -0.72986678     -3.89813496
  H     -5.07814167     -0.86368269      1.76489697
  O      0.00849873      4.19802069      1.31729340
  H     -5.72200721     -1.35608608     -0.87195297
  H     -5.33244028      0.29930980      2.74521982
  O     -3.82910703      3.31908870     -0.68105635
  H     -5.48667121     -0.02039315     -0.13331473
  H     -2.04648124      1.61652338      1.53025203
  O      0.34140141      2.11906893     -0.54718760
  H     -2.18773750     -0.61343367     -2.03632955
  H     -2.78550632      2.11649135      0.24468473
  O     -6.55451531     -1.60866644     -2.54188840
  H     -1.14209465     -0.38192838     -3.15249033
  H     -1.58133861      4.85269253      1.06171690
  O     -1.89965757      1.79562235      3.36441826
  H     -3.73425709      2.35685126     -3.69350234
  H     -2.42750581      6.13694982      0.91699583
  O     -4.90988455     -0.56459567      2.66724565
  H     -2.65780932      1.46876360     -3.02468649
  H     -6.58423188      1.46703883     -3.23187640
  O     -2.12558714      1.49584558      0.57568995
  H      0.68911116     -0.19762393      1.63356687
  H     -6.85689094      1.38238560     -1.70972412
  O     -2.48216577      5.18522547      0.89856455
  H      1.13292685      1.01236010      0.76685533
  H     -3.50218878      4.23608392      2.26538786
  O     -7.14103394      1.04134635     -2.56968048
  H     -2.59304808     -1.44183390      4.60311294
  H     -3.20201903      3.03095931      3.17856198
  O     -3.90892496      3.62787063      2.89094787
  H     -3.37392316     -0.82477731      3.41888612
  H     -1.17608483      2.87893218     -3.25002371
  O     -0.21362772      2.93921344     -3.15413944
  H      1.05028407      1.74167297      2.82679476
  H      0.07733269      3.58345005     -3.79507974
          69
 Energy    -248.36647708876023     
  O     19.82305318     10.25423425    -10.01274773
  H     19.70579387      9.37747273    -10.41324486
  H     20.46700013      9.77986412     -6.55650407
  O     18.80000197      6.05835369     -8.95100011
  H     20.02937077     10.09794343     -9.08564380
  H     17.17870443     10.76864185    -11.68862401
  O     18.81531176      3.59717534    -12.46589409
  H     19.64078506      5.70485041     -8.63511892
  H     18.20793413     10.90690245    -10.54078292
  O     18.54794439      5.89607538    -14.15959928
  H     18.47208598      6.71628107     -8.32457871
  H     22.30900599      9.99928160    -11.86556782
  O     23.39818809      8.58505766    -11.12593319
  H     18.50088477      2.72167644    -12.67746430
  H     21.03004459     10.67459575    -11.36848547
  O     17.11643152      4.96927874    -10.83602082
  H     18.16506385      3.98866479    -11.85710149
  H     16.89659596      8.32686931    -12.77887066
  O     20.68907241      7.32128042    -14.99676599
  H     17.93403689      6.42154099    -13.63305267
  H     17.88411919      7.60160193    -11.84552120
  O     22.29238570      7.78676170     -8.77443568
  H     18.68427432      5.07358646    -13.67393026
  H     20.44624600      4.04959634    -11.59260586
  O     16.09816177      6.26913273     -6.35538379
  H     23.02535700      8.33650356    -10.26076303
  H     21.47751584      5.19514468    -11.65613474
  O     21.71555350      6.80489875    -12.44917923
  H     24.34002883      8.66917428    -11.00453407
  H     15.61531877      7.81657583    -10.98328352
  O     19.45776215      7.72233701    -11.05288919
  H     17.68390807      5.28653944    -10.11483679
  H     15.32111904      8.58330783     -9.68380187
  O     20.30762408      9.30356916     -7.36781035
  H     16.87006287      5.74979902    -11.34637987
  H     15.55127649     10.54299296     -8.19942756
  O     17.27737844     11.04460648    -10.77082227
  H     19.90596180      6.78736510    -14.76898241
  H     16.51557527     10.36623705     -9.39715908
  O     21.60775140     10.60031297    -12.14061216
  H     20.91828482      7.10839572    -15.89714376
  H     20.41276809     10.16606452    -13.43565865
  O     17.03088798      7.49859635    -12.29844941
  H     21.65362457      8.30012436     -8.26602487
  H     20.07966172      9.03989850    -14.44205339
  O     21.21716973      4.41534710    -11.14459381
  H     22.04852367      6.86026789     -8.65987873
  H     17.26636457      8.74434611     -7.78113095
  O     15.00178190      7.86374152    -10.24205927
  H     15.57578082      5.87941346     -5.66048118
  H     17.25040403      7.50155586     -6.84658552
  O     16.13288063      9.91636276     -8.62215180
  H     15.71664863      5.94796872     -7.19119598
  H     18.06393353      9.99491688    -13.68423267
  O     19.72962477      9.84224975    -14.04058378
  H     21.51206175      7.02312968    -13.36723912
  H     16.67666603     10.50290572    -14.14954231
  O     17.83575917      8.11672914     -7.31513605
  H     22.38034175      7.42354011    -12.11957882
  H     21.77165835      4.39123886     -8.03182981
  O     17.11664493     10.02492610    -13.45212533
  H     20.21990817      7.40957546    -11.55575809
  H     21.36257604      4.78646396     -9.47381403
  O     21.38225705      5.09194199     -8.54725415
  H     19.32227944      7.11893395    -10.30981742
  H     15.65933310      5.02065171     -9.40870182
  O     15.10975305      5.50970113     -8.78943899
  H     19.44266146      8.87119294     -7.27050760
  H     14.92406874      6.34364878     -9.24836533
          69
 Energy    -248.36631550415899     
  O     -6.85231031      3.06014168     -0.08078867
  H     -6.97986015      2.81768651      0.84452978
  H     -6.57148595     -0.74801267      0.79754908
  O     -3.18886286      3.98181050     -2.29397835
  H     -6.12318248      3.69058709     -0.10590207
  H     -3.85262678     -1.23410221      3.27673285
  O     -7.09974417      2.06513207      2.55609108
  H     -3.63148133      3.14241166     -2.48906669
  H     -4.44713159     -2.63186587      3.58550277
  O     -2.98512878     -1.97359814      0.46316495
  H     -2.28599926      3.76091355     -2.03738307
  H     -0.80838631      0.68988286      1.65454726
  O     -0.68237024      0.51895515     -2.14753113
  H     -6.87865615      1.16020035      2.27050222
  H     -1.60421258      1.98645123      1.99946759
  O     -4.53984576      1.54410009     -2.42309211
  H     -7.89274067      2.00349069      3.08258884
  H     -3.37437245      2.10938828      0.80662030
  O     -4.45099622     -2.54696048     -1.85525242
  H     -3.47968160     -2.12196844      1.27930579
  H     -3.50702639      3.66384138      0.77647149
  O     -3.00860157     -0.66916263     -3.12343078
  H     -3.50429084     -2.31138419     -0.27831862
  H      1.97504240      1.10785069      0.46255933
  O     -0.89731736      3.01854050     -0.86585390
  H     -0.76591779      1.42406413     -1.82084698
  H      1.28728773     -0.25919337      0.36311510
  O     -0.61447988     -0.58556721      0.40747077
  H      0.23343691      0.39988975     -2.44042982
  H      0.54117813      2.33966484      1.64680933
  O      2.00440341      0.17842868     -2.58948655
  H     -5.49992325      1.50194939     -2.50659534
  H      1.66674999      3.39846915      1.63545995
  O     -6.29179734     -0.34467943      1.63507333
  H     -4.34163379      1.22825844     -1.52878020
  H     -7.20271258      1.95499110     -1.37157531
  O     -4.37666735     -1.96875300      2.90456550
  H     -4.50377136     -3.34076197     -2.38085033
  H     -8.07359979      1.59351627     -2.59950387
  O     -0.88123733      1.41696430      2.29464834
  H     -3.91393682     -1.90975215     -2.36214127
  H     -3.55294938      0.92342607      3.88183192
  O     -2.97810944      2.93642804      1.12970287
  H     -3.57503287      0.11357105     -3.09570619
  H     -2.14376736      0.45149960      3.48573953
  O      2.11310860      0.20130950      0.16277458
  H     -2.13310141     -0.35257359     -2.86335516
  H     -6.99925206     -0.43165918     -1.38602802
  O      1.19735821      2.78014889      1.08076352
  H     -1.60161542      3.00777314     -0.20462737
  H     -6.05011918     -1.65931601     -1.27855551
  O     -7.30828128      1.31807266     -2.10220544
  H     -0.07443618      3.05168685     -0.36307091
  H     -4.87688525      0.42947777      0.64758694
  O     -2.98877030      0.13788282      3.82359111
  H     -1.33329128     -1.22684362      0.47621000
  H     -3.53510882     -0.18131216      0.20472832
  O     -6.80716632     -1.22365510     -0.86826585
  H     -0.64450421     -0.23847747     -0.49622312
  H     -4.12469963      4.61020315     -0.98263852
  O     -4.05243554      0.63294305      0.18826850
  H      2.18011741      0.16451115     -1.63344541
  H     -4.65588392      5.76909895     -0.10028570
  O     -4.58894446      4.81937607     -0.15109825
  H      2.70385583     -0.32643963     -2.99510183
  H     -5.39044306      2.41981955      3.30480695
  O     -4.46818743      2.47052396      3.58448326
  H     -5.73427111     -0.97273418      2.11031676
  H     -3.97872721      2.79354725      2.81983183
          69
 Energy    -248.36617242041808     
  O     17.80211472      8.24187564    -15.99380075
  H     18.42142636      8.26388839    -15.25615692
  H     17.50682432      9.67642587    -17.06864315
  O     14.82052327     10.35907378    -11.39406899
  H     17.02272995      7.78587999    -15.65108910
  H     14.43242341     10.68452810    -18.89863453
  O     18.52791975     14.77871051    -15.09130208
  H     14.47787429      9.81641662    -10.67376510
  H     15.63629879     10.73568970    -17.92326473
  O     15.48232149      7.33691096    -14.60876131
  H     14.12362902     10.39655118    -12.06609373
  H     17.71940446     13.37598394    -12.26831169
  O     13.75105217      8.43828913     -9.62965966
  H     18.54773090     14.39452938    -14.19511048
  H     18.86470924     12.69568313    -13.04125372
  O     15.33810792      6.58482850    -10.84545831
  H     19.04850684     15.57763148    -15.05571832
  H     13.13208763     13.71180891    -13.49839685
  O     16.24394539     11.54168187    -14.35896640
  H     14.82151259      6.78232549    -14.17681543
  H     13.27798896     13.03729198    -14.86927050
  O     12.81746895     10.38941625    -13.33240785
  H     15.02152315      8.11068337    -14.96985539
  H     19.82426670      7.92527394    -13.05010965
  O     16.73369626      8.50592850    -12.41999936
  H     13.62385150      8.28887163     -8.69703034
  H     18.39365514      8.51523739    -13.02860880
  O     19.04711740     11.21974171    -14.13337731
  H     14.32717462      7.72367788     -9.95511275
  H     13.02313664      5.21767457    -13.19917221
  O     14.46336392      9.71562872    -15.45175128
  H     14.79280755      6.20800902    -11.54780363
  H     13.01268627      6.68653588    -12.71290876
  O     17.29375173     10.46800383    -17.58555091
  H     15.97566481      7.15640031    -11.29314247
  H     14.81642757     15.16443754    -13.41585874
  O     14.67527945     10.88992695    -18.00085179
  H     17.18662091     11.34112680    -14.37169926
  H     14.03050925     15.77720457    -12.23129884
  O     18.57205250     13.54902785    -12.68970926
  H     16.08425449     12.00454573    -13.52598840
  H     15.33066180     13.52598410    -11.99323366
  O     12.75245508     13.02541005    -14.05890207
  H     12.64788242     11.32789108    -13.50007151
  H     15.54824841     12.03728871    -11.53093070
  O     19.23942618      8.52059739    -13.51089712
  H     13.27270998     10.06330466    -14.12083503
  H     15.31693982     12.56981639    -15.55724228
  O     13.58650540      5.97007368    -13.04004244
  H     16.17018635      9.22287804    -12.10301477
  H     14.59714579     12.45430389    -16.91328075
  O     14.30626607     14.94888017    -12.61390656
  H     16.29634726      8.11311375    -13.19132019
  H     12.22250748      8.86231810    -12.47966279
  O     15.98662672     12.82622881    -11.87827188
  H     19.27585830     11.45484458    -15.04042979
  H     12.52360531      8.19209347    -11.12306867
  O     14.71435963     13.03794251    -16.15587062
  H     19.25554523     10.29022923    -13.98077772
  H     16.64812166     15.19153802    -15.00609381
  O     12.15625016      8.02513248    -11.99915512
  H     14.37767902     10.01049715    -16.36553398
  H     15.29685396     14.64858265    -15.50085732
  O     15.69642252     15.31376901    -14.92156757
  H     15.13382120     10.28738572    -15.04477128
  H     18.86772470     13.31493555    -16.17745872
  O     19.12825057     12.50415417    -16.64237859
  H     17.88940274     11.16645065    -17.29680710
  H     19.80868053     12.75368222    -17.26396290
          69
 Energy    -248.36568366416316     
  O     12.07033182     10.86743911    -14.62114041
  H     12.71315560     11.58266429    -14.66138653
  H     18.82365871      8.33694917    -14.16393380
  O     15.87926534      6.19760156    -13.50886954
  H     12.39833101     10.18625182    -15.22841185
  H     16.56879348     12.59822038    -17.28358317
  O     17.91762157     10.60917037    -12.12924965
  H     15.29083358      6.37498943    -12.76140638
  H     16.93285892     11.86131450    -15.97514258
  O     18.22338695     11.39089449    -14.92081272
  H     16.75034426      6.01640362    -13.13467372
  H     14.67475269      8.76864933    -15.04212532
  O     12.49687437      6.22073216    -15.83005357
  H     16.98767230     10.77883695    -12.33920831
  H     15.58372781      7.88325524    -14.12356154
  O     15.02817761      9.86751880     -8.66711379
  H     17.92108556     10.33631498    -11.20329368
  H     10.31439535      9.66603329    -12.31340003
  O     14.35245426      6.97201976    -11.32476192
  H     18.30813780     10.49347495    -15.27629602
  H     11.49599113     10.00616154    -13.25405385
  O     15.25045352     10.91272077    -12.83167598
  H     18.26488048     11.29535125    -13.96298121
  H     17.14359142      7.76287658     -9.87875673
  O     16.81791027      7.30499532    -17.85242017
  H     12.39502842      6.39758271    -14.87693841
  H     17.39944064      6.48969751    -10.70933681
  O     17.92810079      8.75580776    -15.73274202
  H     11.75307688      5.68395834    -16.08946060
  H     11.81106381      7.71141244    -12.99606361
  O     15.28180272      5.78131803    -16.21055425
  H     14.45188667      9.84318870     -9.44788608
  H     12.89138121      6.72341012    -12.52388752
  O     19.07923752      8.27341497    -13.23428406
  H     14.60321207      9.31503363     -8.01452246
  H     19.08528576      5.28212842    -12.27633574
  O     16.20312594     12.05138157    -16.59189881
  H     15.14854059      6.86004106    -10.78303364
  H     18.69725963      6.75547042    -12.56301150
  O     15.45624998      8.77468691    -14.47465268
  H     14.09628764      7.89804353    -11.22376557
  H     18.20840656      9.78239535     -8.75381219
  O     11.22800836      9.46079817    -12.49165785
  H     15.33147741     10.13744935    -13.41265905
  H     16.72067251      9.76887551     -9.16977975
  O     16.79763347      6.88241915    -10.06382772
  H     14.91379181     11.63176009    -13.37687103
  H     15.58932113     10.37804767    -17.49245413
  O     12.22342611      6.86460996    -13.20595069
  H     17.10225282      6.77180090    -18.58948185
  H     15.78704939      8.91282057    -17.97042669
  O     18.36584067      5.90417448    -12.22090372
  H     16.26594295      6.73189030    -17.28963645
  H     12.72083080      9.64904142    -11.41581367
  O     17.62555059      9.60982158     -9.48960737
  H     17.06563401      8.82974109    -15.29370861
  H     14.16929508     10.17052956    -11.62431581
  O     15.15395819      9.64129559    -17.93597304
  H     17.76398043      8.23700985    -16.52728202
  H     14.88186391     12.51253393    -15.44165627
  O     13.59779064      9.67982858    -11.01472993
  H     14.31909789      5.83533647    -16.18640150
  H     14.21174344     13.69670075    -14.71177415
  O     14.25099394     12.74360348    -14.74105593
  H     15.55593897      5.78920302    -15.28318157
  H     12.92778743      7.99394269    -16.22685050
  O     13.21630798      8.91181882    -16.16642376
  H     18.73188151      9.07013478    -12.81268384
  H     13.79309918      9.12171281    -16.91650876
          69
 Energy    -248.36564046438443     
  O     10.56537896     12.80317716    -12.70259551
  H     10.57042535     11.89025701    -12.39381479
  H     13.73394458     12.52220738    -13.10844753
  O     14.56463126      7.96942142    -16.66907868
  H     10.76483908     12.76695991    -13.64594402
  H     16.74123737     10.51232272    -11.98445592
  O     11.25709412     10.08879855    -11.86339008
  H     14.77582926      7.16781024    -17.13983263
  H     15.80635431      9.35586526    -12.43734988
  O     14.67174286      9.02219613    -14.07386186
  H     13.65582836      8.21361151    -16.92125858
  H     14.15727755     14.50323125    -12.77514852
  O     12.77997729     12.49024565     -9.31959992
  H     12.11947797     10.53768552    -11.89873052
  H     13.38872919     14.98008084    -11.54018136
  O     15.11854665     10.74853110    -17.29039823
  H     11.04652100     10.01716464    -10.92082418
  H     12.40795244      8.48552054    -11.81524530
  O     11.87469636      9.62217630    -14.49447786
  H     15.06714445      9.88488939    -14.27478771
  H     13.72118086      8.12804454    -12.52212505
  O     13.44792952      8.12196784     -9.02535556
  H     14.71404714      8.51115257    -14.89361236
  H     17.23727148     12.58667381    -11.99424145
  O     13.67124300     11.37946921    -11.71358917
  H     12.40705392     13.28978183     -9.71385376
  H     18.61578258     12.16693227    -12.56356099
  O     11.32040012     10.07175973     -9.14374564
  H     13.62312751     12.70714532     -8.90117151
  H     11.84045563     12.23961246    -16.27751656
  O     16.37660993     13.56361664    -10.89793431
  H     15.51598218     11.07557938    -16.47193657
  H     11.64082983     11.33878316    -15.05375171
  O     13.84226878     13.05306010    -13.91396997
  H     15.07683572      9.79017148    -17.19420759
  H     15.80176743     12.83538280     -7.51682573
  O     16.10647471      9.85267101    -11.67001484
  H     12.81491949      9.46939704    -14.33543353
  H     15.49070320     11.68214631     -8.50356734
  O     14.25913534     15.00328632    -11.95348533
  H     11.45164097      9.67322798    -13.62711194
  H     16.62284767     11.65898171    -14.10628516
  O     13.18032984      7.90957731    -11.75667720
  H     13.42980020      7.97339795     -9.98612952
  H     15.19680478     12.10774646    -14.50365850
  O     17.68619830     11.96002757    -12.59331101
  H     13.38228120      7.26233040     -8.61642803
  H     12.63094573     12.08907644    -18.76936837
  O     11.59127440     12.26126096    -15.34550300
  H     14.48857968     10.88126780    -11.60596892
  H     13.54614265     11.41097012    -17.72413583
  O     15.40279534     12.64292148     -8.36094912
  H     13.45055657     11.77435689    -10.85867374
  H     15.88025250      9.87663945     -9.84022624
  O     15.89089480     11.45904017    -14.70066238
  H     11.99248079      9.40588437     -8.95447154
  H     14.83999551      9.37399636     -8.82922776
  O     12.62564922     11.66545667    -17.91501603
  H     11.76603359     10.92693504     -9.06232236
  H     11.23386153     13.96000257    -11.53932679
  O     15.55591810     10.01126377     -8.93954859
  H     15.67820203     14.14198146    -11.23829651
  H     10.98419732     15.20195450    -10.65616475
  O     11.63240573     14.53274794    -10.86091800
  H     16.10969182     13.30686298    -10.00906363
  H     12.12743843      9.80462233    -17.57975797
  O     12.07074122      8.91974861    -17.19875279
  H     13.05905157     12.90344100    -14.45761441
  H     11.78797905      9.05421474    -16.28336945
          69
 Energy    -248.36550318425822     
  O     15.60812162     12.41197779    -16.96522677
  H     16.34856537     12.63921088    -17.55472014
  H     18.69489077     13.02190180    -18.40809588
  O     19.53944521     17.83604919    -16.75539872
  H     14.93506107     12.01573902    -17.51276178
  H     19.45180806     17.69219215    -10.90643082
  O     21.74498577     11.46804458    -15.68101929
  H     19.55058353     18.76377018    -16.97571166
  H     20.86382793     17.84953814    -11.50506221
  O     17.57696078     14.46066174    -11.15263614
  H     19.42049455     17.77734113    -15.79140480
  H     19.71022377     12.08706824    -11.22522932
  O     15.38532156     15.08685859    -15.76193010
  H     22.50224417     11.02288425    -16.05256184
  H     20.43065190     13.12564897    -12.11992325
  O     19.03091294     10.39343593    -11.54521753
  H     21.36396877     12.01358487    -16.38984666
  H     16.87996820     11.68631195    -13.98142751
  O     16.66267700     11.88918217    -12.21584010
  H     17.37704416     14.86468549    -12.01033894
  H     16.55865751     11.74190066    -15.52762029
  O     20.46968176     13.22946936    -17.34782659
  H     18.41054820     13.97288119    -11.23576086
  H     21.81826629     15.83229330    -15.99338901
  O     21.72472011     16.04068629    -14.07258527
  H     16.06848965     15.46388210    -16.33406905
  H     20.93111486     16.48250198    -17.05148428
  O     18.60179732     16.52614322     -9.64829553
  H     15.27889384     14.18173941    -16.07469858
  H     23.31961772     17.10005269    -11.07195279
  O     21.13658087     13.39298616    -13.72038847
  H     19.10841968      9.54824876    -11.11135390
  H     22.08355096     16.18408453    -10.90301634
  O     17.75963748     13.24190762    -18.45933204
  H     19.28415726     10.25721061    -12.47605082
  H     18.42761312     16.80188620    -13.93934954
  O     19.95305757     18.15702677    -11.58844247
  H     16.75816949     12.73743075    -11.76935008
  H     19.42559750     17.75894907    -13.22748966
  O     19.97356665     13.01398383    -11.27322417
  H     17.36952676     11.32787974    -11.87143689
  H     20.80428841     14.33305982    -10.26927038
  O     17.24650973     11.57306328    -14.87274930
  H     20.93404208     14.08061959    -17.36395618
  H     20.30712651     15.64601708     -9.64051472
  O     21.53772131     15.74564975    -16.91313408
  H     19.78508756     13.34440494    -16.67429597
  H     20.30947345     10.52877669    -14.72210852
  O     22.51527077     16.82112226    -11.50089474
  H     22.13002646     16.32898207    -13.24424727
  H     18.76708253     10.55538386    -14.56542661
  O     19.20939367     17.35099163    -14.07974655
  H     20.85046863     16.45453361    -14.10200835
  H     18.24482842     12.99297077    -15.05856690
  O     21.10830375     15.16725726     -9.88661708
  H     18.03908858     16.76495168     -8.91612220
  H     19.59272787     13.65634866    -14.60151755
  O     19.58093634     10.18192724    -14.19737907
  H     18.14455153     15.81736948    -10.13114679
  H     18.17602465     15.10373503    -16.41963445
  O     18.79961547     13.78431647    -15.13956289
  H     21.54382770     12.76699018    -14.33069923
  H     18.33288377     16.47130672    -17.12223086
  O     17.79806879     15.66920631    -17.10745074
  H     21.48628538     14.28212765    -13.87825563
  H     16.37237507     15.43604700    -14.24537386
  O     17.16377483     15.47067992    -13.69000036
  H     17.71526000     14.17705791    -18.20973479
  H     17.77646694     14.84316376    -14.09997406
          69
 Energy    -248.36521541769457     
  O     11.76132095      2.23204586     -8.61942270
  H     11.13724160      2.06060549     -9.33522809
  H      9.43473476      2.67272431    -14.07247996
  O     10.26870596      2.06792971    -11.10967221
  H     11.72972415      3.18128293     -8.44304499
  H     10.69048922      6.95515919    -12.79091887
  O     11.48459986      5.77243758    -16.23430140
  H      9.98798599      2.93615668    -10.77978277
  H     11.34874053      8.33688382    -12.98279969
  O     15.78297139      3.33274062     -8.86294691
  H      9.72361584      1.92577646    -11.89216493
  H     10.85453712      4.64837035    -13.34019788
  O      9.62345071      4.60573372    -10.35279252
  H     12.21796352      6.02742114    -15.64591645
  H     12.02399182      5.09787021    -12.44097708
  O     12.96445061      1.94929130    -11.90459017
  H     11.75555176      5.99413280    -17.12090841
  H     13.86157901      1.86914333    -14.98045450
  O     13.77159976      4.62067463    -12.36514311
  H     15.27636188      2.52660576     -9.04124573
  H     13.03204541      1.73236792    -13.69290703
  O     13.40462454      7.99668764    -10.37294009
  H     16.41723464      3.10475390     -8.18752829
  H     11.54714557      6.03464308     -8.36019049
  O      9.04148090      6.64017171    -14.93907364
  H     10.09918669      4.88137478    -11.15386139
  H     10.89442447      4.91130854     -9.16665170
  O      7.57214106      4.97917241    -13.24864662
  H      8.76727606      5.04714617    -10.36795303
  H     13.27241620      1.51885612     -9.03452770
  O     13.17978291      8.76378585    -12.95257419
  H     13.44844498      1.62464443    -11.13740399
  H     14.13174212      0.23522514     -9.14552141
  O      8.73022932      2.29280147    -13.51877226
  H     12.03146060      1.99675570    -11.64957731
  H     10.97649441      4.20782221    -15.43771262
  O     10.49415452      7.89987249    -12.89169276
  H     14.00551019      4.93766371    -11.48106758
  H     11.55919754      2.89017930    -14.84013178
  O     11.07193571      5.19376289    -12.57498835
  H     13.56995731      3.68119374    -12.27003892
  H     14.79732366      4.74877087     -9.38996308
  O     12.96515566      1.80636917    -14.65839761
  H     12.66530019      8.07147870     -9.75812342
  H     13.31061795      5.21645433     -9.31673237
  O     11.63305925      5.09526580     -8.56554882
  H     13.83098373      7.15606240    -10.15971569
  H      6.35606021      6.02837348    -10.54500353
  O     14.09625217      1.15175534     -9.40654935
  H      9.41378971      7.25995602    -14.29661589
  H      7.32380220      5.70074520    -11.70679597
  O     10.79020757      3.47908465    -14.83239648
  H      9.78729156      6.38500374    -15.49298454
  H     11.03673498      8.54331012     -7.86459413
  O     14.16124532      5.38275670     -9.74699449
  H      7.89277770      4.07630500    -13.33482313
  H     10.47176397      7.96519903     -9.18218588
  O      7.27480925      6.04848241    -10.79674067
  H      8.03400157      5.51635099    -13.90958703
  H     13.74636862      5.75305538    -13.87224481
  O     11.20380885      7.89423788     -8.54266777
  H     13.59943166      9.61367615    -13.05389186
  H     13.45966750      7.25365231    -14.06156048
  O     13.51446353      6.41501865    -14.53685264
  H     13.29673418      8.50469292    -12.02015841
  H      9.64440162      8.14303523    -11.28266774
  O      9.24760533      8.08469304    -10.40213850
  H      8.25494881      1.67556180    -14.07006495
  H      8.49988272      7.48303147    -10.49191797
          69
 Energy    -248.36512047307622     
  O     12.11837282     11.34594441    -13.87799097
  H     12.74152934     12.03577615    -14.13187273
  H     19.02731852      7.78580259    -15.60708593
  O     15.93329678      6.74231065    -13.25476392
  H     12.31310358     10.59463198    -14.45702144
  H     15.91820641     11.38583162    -16.77593351
  O     18.34650334     11.24361094    -12.33449724
  H     16.85939003      6.63927129    -13.00219084
  H     14.55459183     11.06654191    -17.40761715
  O     17.31817716     10.34510165    -16.16425663
  H     15.43431867      6.90301644    -12.44255736
  H     14.61507913      9.20502421    -14.75919454
  O     11.85249974      6.72553603    -14.64512979
  H     18.36895695     10.48121380    -11.73653040
  H     15.71606085      8.37500828    -14.03041917
  O     16.05133906      8.85972498     -8.94790729
  H     17.41581791     11.46883812    -12.45397948
  H     10.90663668     10.74279606    -11.05127939
  O     14.54166833      7.49101424    -10.96695922
  H     18.10188986     10.61328779    -15.66751988
  H     11.80929831     10.74125873    -12.30936092
  O     15.59358321     11.51393576    -12.84282552
  H     16.70498725      9.93028959    -15.53611656
  H     18.36181722      8.15618690    -11.27508389
  O     15.35425835      7.37522464    -17.64039402
  H     11.85191644      6.97765801    -13.70444991
  H     17.57437448      8.84268940    -10.12523260
  O     18.14021941      7.99512586    -17.31584073
  H     11.04525135      6.24264584    -14.80007337
  H     11.75437521      8.47413694    -11.84720878
  O     14.46951451      5.88401397    -15.49304195
  H     15.48383972      9.47075855     -9.44764294
  H     12.77070445      7.34046637    -11.61552030
  O     19.43281710      7.92600496    -14.74372259
  H     16.08289828      9.19222924     -8.05435141
  H     19.19144005     10.96898719    -13.77078852
  O     15.04435411     11.76112238    -16.95194736
  H     15.03826467      7.44036640    -10.14516200
  H     20.38669611     11.32123151    -14.68914753
  O     15.50722800      9.24615508    -14.38983710
  H     14.44219496      8.44591990    -11.10508592
  H     18.95217230      7.12171991    -13.29831018
  O     11.68220419     10.33842903    -11.43015320
  H     15.16246985     12.17208630    -13.39959110
  H     19.20444422      5.96831500    -12.29922966
  O     18.27259030      8.97631332    -10.77585176
  H     15.59169174     10.68917439    -13.35430336
  H     13.31850223      9.36545817    -18.92299484
  O     11.94502771      7.55422986    -12.06789945
  H     15.04882385      6.79645258    -16.92533341
  H     14.34621327      8.71023452    -17.96791661
  O     19.61357889     10.76816263    -14.62749392
  H     16.31017973      7.44276997    -17.55193845
  H     13.43928374     10.36562194    -10.83747371
  O     18.61346618      6.69125499    -12.49195955
  H     18.64937758      8.12929814    -18.11215215
  H     14.83114013     10.78133984    -11.39189547
  O     13.73896179      9.46698104    -18.07395517
  H     17.84715714      8.87461895    -17.02011247
  H     14.48104603     12.64042149    -15.55323025
  O     14.38996322     10.26583700    -10.70173443
  H     13.56204306      6.04915807    -15.21329017
  H     14.19633216     14.02465762    -14.92912105
  O     14.20466681     13.09132082    -14.73521655
  H     15.01845294      6.05799763    -14.71649417
  H     12.49955351      8.33328837    -15.26206052
  O     12.89985743      9.19521282    -15.43282791
  H     19.58381581      8.87710386    -14.67109531
  H     13.06893015      9.27058976    -16.38082005
          69
 Energy    -248.36476066133497     
  O     12.78880198     11.63779283    -13.19801615
  H     12.17987878     11.02078137    -12.77183022
  H     17.82193478     12.50964134    -14.20297631
  O     20.17196450      7.88335134    -11.26719595
  H     13.00329374     12.29409360    -12.52310288
  H     12.63983319      7.23365180    -15.90254416
  O     17.45775847     10.95652256    -11.42894281
  H     19.36298520      8.10077342    -10.78724239
  H     12.80412560      7.68827880    -14.43153392
  O     12.38008375      7.48921039    -12.78653867
  H     19.97009957      7.08930723    -11.77843070
  H     15.89322400     10.50843286    -12.28121952
  O     16.81011666      6.52102163    -12.25942840
  H     18.06335078     10.98524411    -12.18395168
  H     14.47989343     10.69163504    -12.95409949
  O     14.30262916      6.66067262    -10.95617476
  H     17.56565313     10.10037301    -10.99576343
  H     13.37469618      9.70633462    -15.62558839
  O     19.39042803      5.82177049    -13.10755816
  H     13.02555644      7.14724119    -12.15013137
  H     13.20918669     11.08451664    -14.93852281
  O     17.68865347      9.39323270    -15.57460342
  H     11.93384113      8.22416256    -12.35338517
  H     14.63370340      9.15915265     -9.13809085
  O     17.54415835      8.39537108    -10.32752845
  H     17.65459157      6.14854932    -12.53974664
  H     14.94639234      8.36775048     -7.84792438
  O     16.02878441     11.42329255    -16.60328750
  H     16.43352446      6.97143323    -13.03041861
  H     20.91113738      8.98691216    -12.40498794
  O     19.90338917      7.74941372    -14.94783709
  H     15.14536983      6.44785500    -11.37889511
  H     22.17247812      9.70271390    -12.94577344
  O     17.02799929     13.01750400    -14.41575202
  H     14.53199016      7.13838341    -10.15268341
  H     16.29974150     13.36347398    -12.77789304
  O     13.11241779      7.84418441    -15.34394945
  H     19.55508366      6.45605587    -13.82858977
  H     16.60990583     12.60146552    -11.48436866
  O     15.08998701     10.05164771    -12.56874639
  H     19.81735288      5.00624716    -13.35510292
  H     14.49596386     13.23853354    -11.21304822
  O     13.59410196     10.64275080    -15.70595826
  H     17.20339062     10.07593546    -16.05479643
  H     13.29899994     13.92376820    -10.51069049
  O     15.15021504      8.41974002     -8.77855879
  H     17.01641058      8.84315468    -15.14647104
  H     18.54438213     10.45760982    -14.36372788
  O     21.25541287      9.52845766    -13.13806873
  H     16.83619703      8.39621106     -9.67352218
  H     19.84264858     10.65812313    -13.54115788
  O     16.05257741     13.30488145    -11.84368463
  H     17.27828433      7.76113762    -11.01054508
  H     10.58485906      9.89405134    -10.95056273
  O     13.58872544     13.09494534    -10.88032143
  H     15.14439744     11.14720238    -16.30381271
  H     12.12901287      9.95273646    -10.88861149
  O     18.98058079     11.04726493    -13.73145183
  H     15.91684456     11.80212155    -17.47132973
  H     14.24455703     10.09526700    -10.96786933
  O     11.37290405      9.82732197    -11.48442071
  H     19.17899568      8.27213373    -15.31586530
  H     13.71083048     11.33006191    -10.21238997
  O     13.76690400     10.36651105    -10.16671693
  H     20.46575943      8.37057014    -14.46837535
  H     15.45875175      8.71589032    -13.64441375
  O     15.68777854      8.00990799    -14.27115459
  H     16.63711001     12.57055319    -15.17490010
  H     14.87935637      7.81466554    -14.75843536
          69
 Energy    -248.36452924482296     
  O     11.96411099      9.90873876    -14.21065241
  H     12.38292490     10.71709970    -13.89368764
  H     19.55905264      8.04169757    -14.14926467
  O     16.60593755      6.23905309    -13.10293065
  H     12.55485678      9.54403425    -14.88387132
  H     15.20752327     11.87391507    -15.90430396
  O     16.83250173      9.39742204    -10.21783217
  H     17.45642313      6.02576769    -12.70215716
  H     16.30030199     11.73539217    -14.82192058
  O     17.67551233     10.52897435    -14.38517158
  H     15.91728301      6.04236036    -12.45345487
  H     16.01426942      7.91355039    -13.52803683
  O     13.90350397      5.99504358    -16.23226339
  H     16.05709029      9.74387690    -10.68158290
  H     16.34122271      9.37691748    -13.97972991
  O     14.84723950      8.12140220     -8.50124081
  H     17.59409109      9.72836480    -10.71019434
  H     11.40628901      8.58894709    -13.25278782
  O     14.52905803      5.83356854    -11.30930271
  H     18.08549595      9.86047165    -14.95100910
  H     10.20382599      7.76765877    -12.72893385
  O     14.58924737     10.18063137    -11.68272826
  H     18.15313488     10.54011217    -13.54580873
  H     17.52714978      7.68534182     -9.93599087
  O     15.59766346      5.52593127     -8.69364799
  H     13.57804081      5.87493042    -15.32149401
  H     17.19369978      6.28918033     -9.36341180
  O     18.64553181      8.29339015    -15.81958514
  H     13.47504455      5.32944923    -16.76336492
  H     13.48640355      5.61681648    -12.91123656
  O     16.74960584      6.33138190    -15.86019258
  H     15.54819561      8.65554440     -8.89440224
  H     12.28876946      6.43928120    -13.41679320
  O     19.91588038      8.07975067    -13.25376548
  H     14.09816496      8.17457512     -9.11123276
  H     19.38771225      9.43561809    -12.31696716
  O     15.47083526     12.18395985    -15.02613594
  H     14.87578938      5.52967113    -10.46267046
  H     19.73075393     10.75057804    -11.57605125
  O     15.62521777      8.76879396    -13.75112593
  H     14.03945028      6.64601859    -11.11351840
  H     18.74570734      6.11340622    -11.08921107
  O     11.15623495      7.80810450    -12.72580274
  H     14.90840819      9.64632515    -12.42847736
  H     19.56112947      4.93774164    -11.69094066
  O     17.88928445      6.80066843     -9.79307913
  H     14.18198862     10.96368153    -12.06999872
  H     14.50806366      8.77776156    -15.15470196
  O     12.95164838      5.79457708    -13.69389760
  H     15.29643454      6.43522121     -8.51011210
  H     13.80653945      7.84522989    -16.16446686
  O     19.00112485     10.22166279    -11.88941740
  H     15.43383553      5.01748974     -7.90446006
  H     13.53062359      8.91520403    -11.01664871
  O     19.11166717      5.74697372    -11.91644209
  H     19.09705597      8.30667653    -16.65981121
  H     12.29911286      8.01264390    -11.26493470
  O     13.88971863      8.76904404    -15.90162056
  H     17.95147259      7.61509575    -15.89104031
  H     14.17593164     12.22653340    -13.89847198
  O     13.05802426      8.13736897    -10.68273137
  H     16.72721511      6.14459187    -14.90986711
  H     13.14037083     13.07670579    -13.12472677
  O     13.44192182     12.18258711    -13.25776611
  H     15.83816605      6.22155907    -16.15090813
  H     14.35188761     10.16239019    -16.95138118
  O     14.63172307     10.98263957    -17.38917766
  H     19.72812954      7.22785344    -12.83903202
  H     13.99729754     11.13790233    -18.08450430
          69
 Energy    -248.36435683136341     
  O     11.10988908      9.77993565    -15.08860276
  H     11.64803410     10.43428187    -15.54707250
  H     13.79130471      4.90958491    -14.12921636
  O     15.78055567      7.02302446    -12.81399880
  H     11.44420240      8.92017553    -15.38170213
  H     18.44418986      7.35920307    -14.22684776
  O     16.68917788     11.84270926    -12.82459705
  H     16.71666897      7.23355773    -12.89739558
  H     18.45361342      8.77820122    -13.62387296
  O     16.87529128      9.24689449    -16.30683941
  H     15.32797095      7.58503602    -13.46367349
  H     14.04618275     10.28841022    -17.37678532
  O     11.96035251      5.36816065    -13.92940493
  H     15.82969586     11.74245955    -13.25337940
  H     15.44892570      9.63739448    -17.45979645
  O     15.77881388     11.35679249    -10.24883859
  H     16.51348320     11.74081617    -11.87888055
  H     13.88127789      8.22361253    -15.09963816
  O     14.33436401      7.95864063    -10.67931357
  H     17.37022514      9.80478314    -15.69305525
  H     15.33969398      8.76392580    -15.34061254
  O     14.14623837     11.16445208    -13.79116830
  H     17.35595841      8.40996392    -16.34437498
  H     10.88254352      9.75937912    -13.36069453
  O     15.87840123      5.70197540    -16.62391883
  H     11.28482730      4.71028626    -13.79010750
  H      9.87245465      9.93371754    -12.20397882
  O     16.56284034      8.79862215     -9.15333065
  H     11.93477706      5.96469731    -13.15886837
  H     19.22205823      6.98492975    -10.39149044
  O     18.23465749      6.77780680    -16.00709798
  H     14.84840560     11.21324175    -10.46428555
  H     18.64785490      7.75952272    -11.58146880
  O     14.74267861      4.84639390    -14.27187233
  H     16.08550245     10.53590234     -9.84632331
  H     12.69433865      7.31560914    -11.34491027
  O     18.43536004      7.83992852    -13.38908711
  H     14.84225736      7.57728721    -11.41195392
  H     11.46925452      7.96067668    -12.03046045
  O     14.57138064      9.64363483    -17.86586545
  H     14.98839927      8.18791924    -10.00919055
  H     17.82487530     11.00578126    -13.73750205
  O     14.64783737      8.63396178    -14.67933719
  H     13.78778428     11.07832620    -12.89845959
  H     19.20088056     11.03663398    -14.44388422
  O     10.77499011      9.69265583    -12.39529407
  H     14.33852841     10.25715397    -14.07716777
  H     14.08175433      7.98733341    -18.11497688
  O     18.64033705      7.70875606    -10.61367694
  H     15.19220992      6.09482264    -17.17228653
  H     13.60752756      6.84729024    -19.04808111
  O     11.91379237      7.11806326    -11.87790688
  H     15.44394425      5.32712581    -15.84217715
  H     12.32246210     10.31300387    -11.54065906
  O     18.42849020     10.49484963    -14.30842813
  H     17.30338788      8.43158211     -9.66403167
  H     13.61640250      9.61067401    -11.07393097
  O     13.83037185      7.04620264    -18.14270458
  H     16.81851308      8.76064370     -8.23484395
  H     13.46332681     11.52900236    -15.37813470
  O     13.22926826     10.48024910    -11.25429316
  H     17.39844758      6.32363197    -16.22405288
  H     12.95647356     12.45568683    -16.50591563
  O     13.07229855     11.53859117    -16.26919744
  H     18.91104901      6.37186018    -16.54214575
  H     12.21755018      6.62920366    -15.24658227
  O     12.38396851      7.41307420    -15.78611955
  H     15.14263047      5.47877904    -13.65965765
  H     12.76147727      7.13999335    -16.63153336
          69
 Energy    -248.36400276290598     
  O     13.12684649     13.23405029    -14.55841084
  H     13.07067081     12.57665306    -15.26308466
  H     15.98538943      7.90418980    -16.27820214
  O     17.96448123      7.05977693    -14.11360873
  H     13.91692163     13.74943111    -14.75642460
  H     17.12014929     10.79517627    -14.28158408
  O     18.16715327     11.12639668    -10.91504004
  H     17.22886453      6.44070165    -14.20134893
  H     18.45958478     11.56784250    -14.34011059
  O     16.71734621     13.85346998    -12.76760644
  H     18.01003808      7.53935054    -14.94880691
  H     15.86183840      9.77285460    -18.74679821
  O     15.59653347      5.46148334    -14.36470802
  H     18.09131563     10.19401313    -11.16633502
  H     17.02288103     10.11020488    -19.71313421
  O     14.42436687      9.55960994    -10.14089536
  H     17.27014294     11.43432216    -10.75199661
  H     16.42425980      9.54568929    -12.71425017
  O     14.37628529      6.35016175    -12.12093659
  H     16.37677791     14.08298005    -13.64031597
  H     15.64910763     10.88689061    -12.55130212
  O     12.74201385     12.50702367    -11.95421547
  H     17.62554387     13.55515138    -12.89645031
  H     14.45454339     11.52315201    -16.59197652
  O     14.27712495      9.15831022    -18.35615136
  H     15.13472730      5.75716412    -13.55969289
  H     13.55059587     10.53827108    -15.79941086
  O     15.93296598      7.32614346     -9.95540413
  H     15.53597564      4.51020657    -14.38285637
  H     17.15201598      8.00881761    -11.18019291
  O     17.61908014      8.76973234    -16.42230456
  H     13.76138682      9.34045154    -10.80925088
  H     17.85302215      7.97090440    -12.58423512
  O     15.11864468      7.47347753    -16.24775012
  H     14.73594061     10.44672448    -10.34933061
  H     12.93535458      8.86151069    -13.05394973
  O     17.83169902     11.07417047    -14.87917046
  H     13.68533459      7.02310114    -12.13156321
  H     11.70231282      8.86030645    -12.12780000
  O     16.76185528     10.14321644    -18.79697533
  H     14.92410469      6.55020564    -11.35191469
  H     14.39230714     12.25676626    -11.38218958
  O     15.88495813     10.19722253    -13.18469151
  H     12.01213222     13.01629777    -11.61124975
  H     15.81789684     12.78852714    -11.68275097
  O     13.54472758     11.20873851    -16.49958475
  H     12.83393294     12.76689651    -12.88734103
  H     18.95586816     12.02753445    -12.19041930
  O     17.63232234      8.53714029    -11.82945301
  H     13.82757492      9.85278099    -17.85740081
  H     20.14425013     12.83477103    -12.76464814
  O     12.62304257      8.61362969    -12.16761966
  H     14.43050213      8.43812594    -17.72936140
  H     16.83400810     11.81533101    -16.14681593
  O     15.33361586     12.08702397    -11.21784470
  H     15.40163253      8.14342409     -9.92528923
  H     16.44093513     11.60696895    -17.62334943
  O     19.26164584     12.53547933    -12.96399758
  H     16.06002918      7.04393936     -9.05396434
  H     15.85766661     13.67045545    -15.97581551
  O     16.24018697     12.13681046    -16.84302875
  H     17.80704104      9.53466818    -15.85923113
  H     15.70784334     15.20331337    -15.86899622
  O     15.63563615     14.39417655    -15.36781598
  H     17.48129970      9.13162502    -17.30586798
  H     14.14622532      8.54489317    -15.14639146
  O     13.78366791      9.22754894    -14.56634328
  H     15.22103771      6.68663384    -15.69776210
  H     14.53688607      9.60074404    -14.07944477
          69
 Energy    -248.36360513229170     
  O     -8.67656343     -3.26689233      5.74238768
  H     -8.65790950     -3.05403940      4.79477404
  H     -3.34099387      1.71579842      3.83692653
  O     -8.78915964     -2.41125490      3.10450808
  H     -8.63660107     -4.21781715      5.81017998
  H     -6.88206395     -0.34990335      4.09965832
  O     -4.85667582      1.24927442      1.05987279
  H     -8.41812457     -1.52560670      3.25040705
  H     -8.21066799      0.38146422      4.51583117
  O     -6.98550551      1.03266448      7.47742296
  H     -9.73224727     -2.27146206      2.96235396
  H     -6.04188434     -1.53746251      6.05108290
  O     -5.42780219      5.65075875      2.66104808
  H     -5.70416006      1.63181348      1.34479384
  H     -7.35067433     -2.15823737      6.57182946
  O     -8.66175223      0.36964060      0.24783525
  H     -5.09945630      0.46319511      0.56081671
  H     -2.79897371      3.80936727      4.33919539
  O    -10.72768963     -1.28536804      5.87572073
  H     -6.84184764      0.08464902      7.30143654
  H     -1.32402717      3.38021147      4.13998372
  O     -5.29695021     -1.26041591      4.43965668
  H     -6.84627981      1.16503377      8.41116593
  H     -9.88745384      2.18964703      4.57183769
  O     -3.75731081      3.83184827      1.49205925
  H     -5.36967476      6.48060805      2.19494239
  H     -9.33684393      3.33056101      3.70263297
  O    -11.46810291     -1.50507520      3.07485938
  H     -4.86958898      5.01843291      2.17452998
  H    -11.63209129      1.46614567      1.36902609
  O     -6.27924540     -0.94910158     -0.15238286
  H     -9.51389881      0.35445346      0.69228387
  H    -10.65077975      1.58113782      2.54930618
  O     -4.09222728      1.11797241      3.74236970
  H     -8.18916882      1.09227779      0.68967115
  H     -7.03325170     -2.75048395      2.37237166
  O     -7.70580026      0.03281889      3.76950117
  H    -11.07530132     -1.36132579      4.97880282
  H     -6.09677313     -2.08216135      1.35428214
  O     -6.64255219     -1.55056059      6.81177764
  H    -10.10594465     -2.01697467      5.97773997
  H     -8.61901625      1.08860521      6.54592866
  O     -2.21279992      3.21222345      3.84010436
  H     -5.43067027     -1.79025627      3.63923770
  H     -9.83147124      0.25602459      5.99195801
  O    -10.05363531      2.68832989      3.75860980
  H     -4.71592758     -0.51867691      4.22495839
  H     -4.73365810      4.07479419      5.33816969
  O    -11.02674095      0.95683242      1.90288348
  H     -4.05864618      2.97571383      1.16281839
  H     -4.54149258      5.21812464      4.32761964
  O     -6.10141689     -2.59965046      2.16932048
  H     -3.10496819      3.63486412      2.17590776
  H     -6.22160255      2.08450515      6.11920661
  O     -9.28530607      1.04436939      5.85104218
  H    -12.31498662     -1.82803422      2.77674832
  H     -5.35084855      2.03269044      4.82406021
  O     -4.10177661      4.74664752      5.04606690
  H    -11.34598833     -0.62961854      2.67221988
  H     -7.41396362      2.84868683      2.42437170
  O     -5.90024199      2.60666504      5.37496535
  H     -7.16426119     -0.55722910     -0.05329564
  H     -7.46093012      1.30759285      2.55833726
  O     -7.28250990      2.02999191      1.93439612
  H     -6.22748005     -1.27413042     -1.04798156
  H     -7.07318675      3.61328149      4.35628786
  O     -7.56896521      4.13147267      3.70426408
  H     -4.31756335      1.10739782      2.80091267
  H     -6.94557620      4.77397648      3.34247788
          69
 Energy    -248.36338289300244     
  O     -4.40753630      3.53078072     -2.28345840
  H     -4.92259302      4.16942814     -2.77046697
  H     -6.98252285      1.14941789      2.29565124
  O     -0.01939938      1.32219875     -2.60979819
  H     -4.74235009      3.54257905     -1.37025968
  H      0.59446367      2.64366827      2.99770333
  O     -5.24966722      3.58858028      0.30675422
  H      0.85631868      1.54393142     -2.27124708
  H     -0.25969573      1.39627206      2.63863435
  O     -2.37660229     -1.85702138      2.79582585
  H     -0.57647110      2.10798753     -2.48815566
  H      1.74562702      0.22287344      1.67824408
  O     -0.60965670     -0.40238098     -0.55831839
  H     -4.72965860      4.07553371      0.95752393
  H      2.43713966      0.95880588      0.49785114
  O     -1.97973232     -0.51598614     -3.64115892
  H     -5.65807205      2.85259318      0.77681443
  H      3.12138007      3.20934621      3.39676372
  O     -3.45658633     -2.28294737      0.34883341
  H     -2.74976355     -2.05582487      1.91681548
  H      2.55189061      2.21489976      2.35251799
  O     -1.78258714     -2.55846369     -1.91478307
  H     -2.44432191     -2.65800226      3.30851587
  H     -4.38383479      1.72586008     -2.91514590
  O     -0.04918362     -0.33600859      2.09206124
  H     -0.94440304     -1.21575058     -0.95517923
  H     -4.74566595      0.36454891     -2.31438364
  O      2.34732359      1.96512197     -1.19966606
  H     -0.36003095      0.18647111     -1.28462710
  H     -3.27146859      2.12389049      3.68277613
  O     -3.78875479      0.58165021      2.75863912
  H     -1.28079947      0.12980234     -3.48581048
  H     -1.89527032      2.79179108      3.72870478
  O     -6.24166095      1.28006520      1.70948311
  H     -2.82175726     -0.04598179     -3.54211028
  H     -4.19796362      0.45208728     -0.33252451
  O     -0.31055874      2.33439101      2.87061093
  H     -2.94014940     -2.49802553     -0.43765255
  H     -5.65110034      0.28439132      0.13531014
  O      2.52701554      0.73416943      1.43223711
  H     -4.10428619     -1.62462504      0.06517339
  H     -1.98999545      0.64385185     -0.01003615
  O      2.39582464      3.06985427      2.79516592
  H     -1.90739056     -1.87589528     -2.60114657
  H     -2.34346863      2.13658811      0.22635850
  O     -4.36361581      0.77926477     -3.09822278
  H     -1.43602577     -3.32885363     -2.35564836
  H     -0.97292027      3.26227362      1.46135690
  O     -2.83190848      2.95404816      3.90881370
  H     -0.73796897     -0.89370900      2.47043542
  H     -2.05597828      4.32688067      1.14842107
  O     -5.00313265     -0.06889527     -0.48320272
  H     -0.18185782     -0.37984786      1.13105202
  H     -1.45314435      3.76640541     -1.12889155
  O     -2.67810494      1.24037700      0.31531627
  H      2.05388581      2.77175154     -0.74054436
  H     -2.54468443      3.51932044     -2.19130225
  O     -1.33911976      3.81480214      0.75357279
  H      3.18133539      2.17614922     -1.61333781
  H     -3.66857325      5.73019041      2.59017155
  O     -1.59154529      3.48235928     -2.03984559
  H     -3.39766767     -0.27489764      2.96450702
  H     -3.33355288      4.24118481      2.85702070
  O     -3.52443211      4.89277288      2.15785197
  H     -3.36683499      0.86273448      1.93042686
  H      1.84904029      3.91683809      1.17090794
  O      1.50618623      4.09972235      0.28621460
  H     -5.44787460      0.99128213      2.19055161
  H      0.55113616      4.18608902      0.38144209
          69
 Ord_Energy   -248.363297    
 O   -8.51377869       1.06601679       3.32740641    
 H   -8.25938606      0.532072604       2.56133127    
 H   -9.36673832      0.723662317       3.61845756    
 O   -10.5983009      -3.95769477       7.24142456    
 H   -10.7332964      -4.37824965       6.37611532    
 H   -11.2778988      -4.29786968       7.81890869    
 O   -7.70583105      -2.39737248       3.80554938    
 H   -7.14573574      -3.18411613       3.79788184    
 H   -7.58239317      -1.95691109       4.65537357    
 O   -8.16656494      -6.20745325       5.13766098    
 H   -8.14046574      -6.84770012       4.41158819    
 H   -9.00808907      -5.74470234       5.03332520    
 O   -8.52733135      -2.47548008     -0.480853081    
 H   -9.10496235      -3.16142344     -0.124307327    
 H   -7.67453003      -2.89934015     -0.636502802    
 O   -4.97466993      -1.25556004      0.940637052    
 H   -5.89480114     -0.997562468       1.12875092    
 H   -4.55966234     -0.504724741      0.521489561    
 O   -5.83214045      -3.57492852     -0.416850477    
 H   -5.44330549      -2.83287454       7.12486506E-02
 H   -5.20036221      -3.81915236      -1.08955765    
 O   -4.37293434      -3.39794445       5.29092264    
 H   -4.75078773      -3.20572925       6.15634203    
 H   -4.30063820      -2.55251718       4.82274342    
 O   -10.1356564      -1.21671796       6.52495146    
 H   -10.3284283      -2.11099124       6.82725954    
 H   -9.17152596      -1.12932169       6.52875423    
 O   -10.9816370     -0.155802146       4.19487572    
 H   -10.7261190     -0.499532044       5.07119942    
 H   -11.7801971      0.350046128       4.31879282    
 O   -6.21972418      -4.71114159       3.82473159    
 H   -5.48235226      -4.35756683       4.34467649    
 H   -6.78585768      -5.24607038       4.39668417    
 O   -10.3210917      -2.70748091       3.20878482    
 H   -10.7095594      -1.84899127       3.40925860    
 H   -9.38288689      -2.63333488       3.44911408    
 O   -9.84777451      -4.47194529       1.11179090    
 H   -8.92662525      -4.74967432       1.23874307    
 H   -10.0503473      -3.79450321       1.77411222    
 O   -7.82620525      -4.68581963       7.47583055    
 H   -7.81488371      -5.34725666       6.77176380    
 H   -8.74155807      -4.38804245       7.53192520    
 O   -4.39868021      -1.02885556       3.82089972    
 H   -4.52714300      -1.15633237       2.87528181    
 H   -4.99152565     -0.315169096       4.08457708    
 O   -8.37337780      -7.56227112       2.73542309    
 H   -7.90968609      -6.96021748       2.13895130    
 H   -9.31298256      -7.41051531       2.57777739    
 O   -5.82636118      -2.88055182       7.71253252    
 H   -6.51745558      -3.56625605       7.66349745    
 H   -5.44948387      -2.93192840       8.58662224    
 O   -7.58841610     -0.839617252       1.52687371    
 H   -7.61206913      -1.39473665       2.32201576    
 H   -8.03407764      -1.32005179      0.814459503    
 O   -10.7217064      -4.99580908       4.69273520    
 H   -10.6428442      -4.15366602       4.21920538    
 H   -10.9723597      -5.64944649       4.02918386    
 O   -7.20490646      -5.31474829       1.36551702    
 H   -6.69648027      -4.83785725      0.700738668    
 H   -6.78133202      -5.11931849       2.21654177    
 O   -11.0814266      -6.58687544       2.36652899    
 H   -11.7946177      -6.98144245       1.87120700    
 H   -10.7243690      -5.86695004       1.81818116    
 O   -7.37320089      -1.08267581       6.25330162    
 H   -6.89445591     -0.322773099       5.89864206    
 H   -6.76909161      -1.60663772       6.79516649    
 O   -6.22715569      0.999290884       4.78594112    
 H   -5.94663286       1.88248777       5.01060152    
 H   -7.04974842       1.08823180       4.27177334    
          69
 Energy    -248.36320854928971     
  O     15.57967716     10.99477195    -10.12001515
  H     16.17452539     10.33814104     -9.74073358
  H     15.42667164     10.93922268    -15.75084730
  O     14.06711003      8.18005818    -15.18900384
  H     15.95840323     11.23411775    -10.97761336
  H     19.11685298      7.51199755    -11.66223077
  O     14.86774212      5.08369056    -11.93476811
  H     14.34491061      7.25759127    -15.11721190
  H     19.09309511      9.02928677    -11.97941422
  O     19.27108197      5.84915588    -12.60632971
  H     13.24097754      8.26763801    -14.69432806
  H     16.61889667      8.10118306    -13.53033545
  O     14.67838613     12.26818577    -14.61087737
  H     15.14012325      5.88633544    -11.46245617
  H     15.19079744      8.61140002    -13.79177273
  O     12.12759470      5.34063462    -11.22847376
  H     13.93175061      4.96733351    -11.73590830
  H     12.49365115     11.39440151     -9.73756618
  O     11.88344312      8.39743895    -13.50688584
  H     20.13394296      5.44218224    -12.61736699
  H     13.86323519     10.86451496    -10.22521291
  O     15.42212049      7.48000393    -10.74583627
  H     18.63858358      5.16108656    -12.33776088
  H     13.69874859      4.79745057    -15.42965853
  O     18.30464924      9.25818309    -15.96018958
  H     14.37120383     13.12297852    -14.90018921
  H     12.83016923      4.40751988    -16.63385658
  O     11.10316625      5.81155147    -13.90490380
  H     13.93754451     11.85274457    -14.13308210
  H     12.75693059     11.06494578    -12.23006837
  O     17.61545089      6.92610292    -14.59716682
  H     12.22375364      6.28303763    -11.01195196
  H     12.29065786     10.23567551    -13.43922419
  O     15.75883221     10.15538356    -16.20429406
  H     11.58467806      4.95895983    -10.54252521
  H     16.48775460      4.26878750    -11.92393323
  O     18.99094795      8.38048057    -11.26721681
  H     12.18283049      8.29124620    -12.59467182
  H     17.34369161      3.00155925    -12.04300884
  O     15.91034984      8.63440914    -13.14791522
  H     11.47213885      7.55378681    -13.74911748
  H     16.05039833      5.97254436    -14.78019404
  O     12.89925631     10.78003150    -10.34334930
  H     16.02514400      7.85040038    -10.09201249
  H     15.02474095      5.42232621    -13.75923105
  O     12.81940791      4.47623792    -15.68179611
  H     15.60324306      7.94262670    -11.58047893
  H     18.29614576     10.77317136    -13.10906696
  O     12.70417815     11.07286530    -13.19315670
  H     17.40266406      9.61155361    -16.06773157
  H     18.89760748      9.93931568    -14.25019411
  O     17.40294006      3.95029680    -11.95817816
  H     18.77535429      9.46478353    -16.76303432
  H     12.62603774      8.95025661    -10.55843999
  O     15.15426500      5.61931771    -14.69696889
  H     11.61841241      5.30933334    -14.55154560
  H     13.66708530      7.82942495    -10.72439419
  O     19.05094272     10.21388517    -13.33917765
  H     11.37866824      5.49495659    -13.03727224
  H     17.78194386      8.83387621     -8.41820101
  O     12.72126986      8.02284163    -10.80921408
  H     18.30525628      6.59482208    -14.00898874
  H     17.95362124      8.72594199     -9.95234004
  O     17.30265500      8.87440334     -9.24063514
  H     17.97546440      7.64853216    -15.12901999
  H     15.98457434     11.78670696    -13.34991683
  O     16.53513250     11.30419640    -12.72217437
  H     15.11796479      9.45572948    -16.01501841
  H     16.33373607     10.36489423    -12.86215064
          69
 Energy    -248.36316401929201     
  O     15.01741444     12.17564508    -11.87146223
  H     15.62853048     11.86096163    -11.19522670
  H     18.17536121      5.27161968    -14.56001395
  O     14.37958080      6.55980374    -14.57661527
  H     15.48766024     12.09110713    -12.71013564
  H     17.80863470     11.13568840    -13.12689564
  O     16.08843478      6.05292551    -10.44451221
  H     13.54484469      6.83369818    -14.17488834
  H     18.61913458      9.88630598    -12.73225080
  O     18.64507977      8.13812029    -13.29485606
  H     14.72629608      5.83561769    -14.03742333
  H     16.77743627      8.43132788    -13.29316499
  O     14.84835895     10.37071899    -15.98758990
  H     15.43208721      5.59306387     -9.90619029
  H     15.37316237      7.91404326    -13.69842139
  O     11.84632662      6.40524299     -9.70714923
  H     15.87016289      6.99625911    -10.41435064
  H     11.88242600     12.10417591    -11.78533849
  O     12.12262450      7.44666733    -13.22414683
  H     18.71926174      7.44476287    -12.62657667
  H     13.36568477     11.68148727    -11.91638682
  O     15.45851881      8.73527778    -10.52427480
  H     18.69803339      7.70932688    -14.15903697
  H     13.96300840      3.86453278    -12.18286760
  O     10.97099605      5.12784312    -12.13229180
  H     14.07914583     10.17550047    -15.42221185
  H     13.45612852      3.87280896    -10.73293403
  O     18.45271950      6.77211444    -15.73077579
  H     14.49320973     10.66484754    -16.82316616
  H     12.54701555     10.48928043    -13.67033023
  O     16.03097903      7.76168687    -16.40592303
  H     11.39732351      5.99797653    -10.45792756
  H     12.36721830      9.05492205    -14.18840423
  O     18.02689155      4.61823855    -13.86530092
  H     12.06992163      7.30374698     -9.98683894
  H     19.28675316      5.77409603    -10.74221152
  O     18.39527485     10.78242279    -12.44610080
  H     11.62903684      6.66012263    -12.96188814
  H     17.78289169      6.00245729    -11.01041982
  O     15.83191485      8.56316628    -13.15331386
  H     12.37265888      7.89391111    -12.40298827
  H     16.32283577      4.51433019    -13.28263812
  O     12.44750572     11.36237417    -11.98322719
  H     15.97495793      9.48751510    -10.21614332
  H     15.65040091      5.20249770    -12.06532060
  O     13.19354895      3.65499209    -11.63510643
  H     15.55030659      8.71898474    -11.49480327
  H     13.84187734      4.44293255     -8.23361695
  O     12.65449706      9.93732554    -14.45452271
  H     10.23051151      4.56513496    -12.34066932
  H     13.20331861      5.41738961     -9.25091044
  O     18.66328866      6.01872460    -11.42152299
  H     11.74351123      4.54501548    -12.01811721
  H     16.72673339     12.61221382    -14.84402613
  O     15.46837935      4.68735815    -12.86252589
  H     18.99112745      6.67750423    -16.51176082
  H     15.96620383     11.27100446    -14.85566959
  O     13.95738992      4.81797637     -9.10246279
  H     17.59373085      7.12595216    -16.02409807
  H     13.66777765      8.78759428    -10.64068202
  O     16.49899924     11.86109428    -14.30038364
  H     15.73961513      8.67212605    -16.28679742
  H     12.52167660      9.70227978    -11.13839575
  O     12.71910765      8.80836625    -10.83366324
  H     15.39319480      7.22739329    -15.90808474
  H     17.57369283     10.94632446    -10.92359317
  O     17.00536830     11.04874209    -10.13794588
  H     18.38694830      5.00436598    -13.05711008
  H     17.52730558     11.49445784     -9.47689349
          69
 Energy    -248.36310551720146     
  O     15.91487105      9.96538975    -14.85847518
  H     15.67990209     10.15727614    -15.77419522
  H     19.63290694      5.95231879    -15.77538883
  O     14.46620351      5.99192064    -16.25415648
  H     15.11951222      9.62913684    -14.41778636
  H     18.79147003      8.79122876    -17.58210506
  O     17.88629835      7.96122344    -12.09773229
  H     14.80642388      5.18588546    -16.65743441
  H     20.02461958      7.92458900    -17.32566970
  O     20.28776958      6.01884865    -17.48919820
  H     15.25595510      6.47011297    -15.95153420
  H     17.58691998      6.94622166    -15.21794906
  O     17.84199648      5.58372521    -18.55468982
  H     18.79387124      7.65910609    -12.22951298
  H     16.64371454      8.20878615    -15.11669279
  O     13.52340363      9.24528259    -10.90512166
  H     17.86441885      8.86383646    -12.44184272
  H     14.26913333      5.77338572    -10.13557847
  O     13.85651592      6.08826651    -13.55491645
  H     19.44419005      5.80861893    -17.93069452
  H     15.00512735      4.88369821     -9.10338815
  O     17.18764656      4.00542385    -14.57918367
  H     20.97553406      5.58771134    -17.98818985
  H     13.48336576      7.56267176    -16.53947257
  O     12.85937633      6.42333677    -10.95568169
  H     17.20975561      5.01193612    -18.10323084
  H     13.10756708      8.67984646    -15.54492108
  O     20.22901216      9.47024816    -14.53331753
  H     17.45076788      6.46662188    -18.59814113
  H     20.50232740      8.12818586    -13.51794808
  O     16.08392726      3.84801736    -17.06175293
  H     13.20560048      9.89070545    -10.27952852
  H     21.37282889      7.28915325    -12.54430758
  O     19.13861239      5.93948007    -14.94532104
  H     14.40351413      8.96428782    -10.59677349
  H     16.01641126      5.44368817    -11.45958426
  O     19.65968759      8.80262376    -17.16176015
  H     13.91155355      5.89265956    -14.49867196
  H     16.84788472      6.39499193    -12.35851945
  O     16.74858097      7.33165647    -15.50173595
  H     14.73212913      5.90534546    -13.18329432
  H     16.66612632      8.20596365    -10.68738764
  O     15.14696165      5.52839567     -9.79064811
  H     16.79897519      4.37896179    -13.77948228
  H     15.73383821      7.34849581     -9.81450807
  O     13.15991097      8.47306512    -16.48601545
  H     17.97575761      4.54659398    -14.73170850
  H     14.27265001      9.57118646    -17.24984140
  O     20.50982010      7.33740883    -12.94447389
  H     13.00921078      6.21286199    -11.88851197
  H     14.58430430     10.86167106    -18.04634742
  O     16.31515501      5.58897822    -12.36636340
  H     12.89870651      7.38539688    -10.89650205
  H     13.75969743      7.88996965    -13.64672656
  O     15.92324536      8.25957848    -10.07290191
  H     20.03611989      9.30983918    -15.46929718
  H     13.55436014      9.13660297    -12.76468300
  O     14.98943495     10.16804163    -17.53318151
  H     19.49728852      9.98365331    -14.17352270
  H     17.19924995     10.46122213    -13.82420474
  O     13.69251228      8.85590716    -13.67729632
  H     15.95239477      2.93409709    -17.29951483
  H     17.83627628     11.41239934    -12.78055992
  O     17.94122904     10.56400498    -13.20294527
  H     16.46098047      3.85126314    -16.16302220
  H     16.95971113      7.87085162    -17.20691137
  O     17.01792808      8.24980329    -18.09823177
  H     19.69360556      6.32811037    -14.25915268
  H     16.34495590      8.93834429    -18.12219081
          69
 Energy    -248.36291483650501     
  O     15.57703616      8.63576006    -15.99376255
  H     15.98127991      7.78653318    -15.75271656
  H     20.28982883      5.09823109    -15.77936018
  O     13.89844687      4.88916100    -17.59075249
  H     15.85620851      9.26342663    -15.31713390
  H     18.33673588      8.02117826    -17.67799676
  O     18.52368215      6.24224971    -13.09277581
  H     13.08909421      4.54933977    -17.96337982
  H     19.47786983      6.99023691    -17.35310052
  O     20.27861519      5.38670853    -17.70066677
  H     13.64882594      5.60818691    -16.98334722
  H     17.45523953      6.24549337    -14.62010323
  O     17.94181825      4.16332165    -18.22504383
  H     18.13387476      5.49199138    -12.61923800
  H     17.69340780      6.67004132    -16.07970023
  O     12.69693967      6.01088962    -10.69014838
  H     19.20623580      5.86123702    -13.67222128
  H     13.95248759      7.66071667    -16.02641974
  O     14.84748407      3.91104828    -13.43992899
  H     20.97708572      5.05519916    -18.25771860
  H     13.40818783      6.75083034    -14.92513054
  O     16.27845012      7.79140518    -12.30630639
  H     19.47461486      4.88147262    -17.92254938
  H     16.54965133      4.04986147     -8.57334163
  O     18.28303290      2.88475536    -14.48838263
  H     17.33728811      4.75279794    -18.70231381
  H     15.96966135      5.12628832     -9.52434726
  O     13.79185705      3.52744468    -10.83109305
  H     17.41004048      3.77814392    -17.52385861
  H     15.23667226      4.00491795    -16.61908031
  O     19.07256074      8.81866617    -14.40808238
  H     11.82341044      6.02605935    -10.30950181
  H     16.37280346      4.70966823    -15.85331689
  O     20.11147582      4.95470832    -14.84481474
  H     12.98860490      5.08101540    -10.69643485
  H     16.40446312      3.98734357    -12.52774979
  O     18.93608159      7.70509412    -16.99146297
  H     14.50196099      4.81542895    -13.41279799
  H     17.04838668      3.99978251    -11.12221441
  O     17.02090644      6.32073634    -15.47850944
  H     15.12571367      3.74529661    -14.34762702
  H     15.70456589      7.20107099    -10.59829230
  O     13.35505104      6.91761904    -15.87587757
  H     17.09356011      7.30867913    -12.49519785
  H     14.39620227      6.62533538    -10.01934791
  O     16.23443667      4.19082193     -9.46176186
  H     16.36266626      8.65114163    -12.73659059
  H     16.20047103      6.82028791    -19.04541572
  O     15.98693223      3.83595256    -16.03440802
  H     18.01426335      3.08390848    -13.58211650
  H     15.25829856      5.62912686    -18.73742176
  O     17.25348971      4.03518020    -12.06382122
  H     17.49167678      2.99223561    -15.02724528
  H     14.72679023      6.98826348    -12.91092545
  O     15.33820779      6.73316244     -9.83713457
  H     14.59804880      3.57883305    -10.30211871
  H     13.38263589      6.43344612    -12.36479937
  O     16.04647414      5.88718566    -19.23135811
  H     14.08022215      3.44020163    -11.74944220
  H     17.63311412      9.72715291    -14.08264132
  O     13.92052194      6.51747941    -13.16260101
  H     19.13961259      8.50831114    -15.32246043
  H     16.88078880     11.00195058    -13.62140858
  O     16.75191469     10.09405572    -13.88149045
  H     19.11376373      8.02966962    -13.85750950
  H     16.50545122      9.36072901    -19.03965685
  O     16.70072587      8.59580559    -18.50405307
  H     19.58406641      4.14255223    -14.79056044
  H     16.23764912      8.71698008    -17.65805129
          69
 Energy    -248.36259437465748     
  O     16.58731527     11.03982636    -11.80000780
  H     16.25259257     11.37525095    -10.95878419
  H     12.28113156     11.41466897     -9.37461705
  O     16.04965750      5.34689596    -10.62625416
  H     17.26298374     10.38975822    -11.57423059
  H     15.43024299      7.93007474    -13.83607839
  O     12.52679645      4.59440685     -9.77840361
  H     15.50358725      5.58664568     -9.86634482
  H     14.90383351      9.15767135    -14.58293364
  O     18.18608191      6.82902299     -9.51613251
  H     15.45861881      4.91094605    -11.25929266
  H     19.26098846      8.87037223    -11.63606829
  O     16.72392676      7.17890539     -7.10903067
  H     13.19053186      5.01837426     -9.21111612
  H     18.37128221      8.22593024    -10.55411407
  O     15.58992525     11.95085779     -9.31708244
  H     12.26511705      3.79090222     -9.33515486
  H     15.21659637      6.25645334     -7.84064942
  O      9.91147443      9.12757360    -10.71423229
  H     17.80318173      6.95920687     -8.63976526
  H     13.92049071      6.87663319     -8.38702298
  O     15.66754096      9.57266664     -7.74061287
  H     17.62028934      6.17407075     -9.94631672
  H     13.43573430     10.93317603    -13.10487223
  O     13.56806014      8.43261987    -11.24338506
  H     16.41278354      8.08257425     -7.30505235
  H     11.92597390     10.53354924    -12.91850815
  O     11.35116369      6.76814619    -11.10370027
  H     17.03737565      7.18528505     -6.20882999
  H     10.90291559      6.90357387    -12.88563806
  O     13.31482557      6.02697718    -14.63552881
  H     14.63093529     11.94428976     -9.49089232
  H     11.66653989      6.78743832    -14.20884138
  O     12.95495106     11.87077828     -9.89104995
  H     15.79735748     12.81546424     -8.97194556
  H     10.52876825      8.86624478    -13.70114538
  O     14.93742757      8.19686768    -14.62739177
  H     10.28638811      8.23625527    -10.75813542
  H      9.67203457     10.08558926    -14.11655515
  O     18.39480972      8.91782893    -11.23867949
  H      9.94006489      9.46448305    -11.61607323
  H     10.55780030      9.89603118     -9.30727669
  O     14.43544587      6.05511144     -8.37038740
  H     15.78444735     10.38565450     -8.24338052
  H     10.32807203     10.53178133     -7.91564553
  O     12.73191189     10.79910469    -12.45688062
  H     14.76985566      9.27348160     -7.94375420
  H     13.37792425      4.49470510    -11.61012088
  O     10.87625717      7.17548282    -13.81375365
  H     13.29362451      9.25330687    -11.67277987
  H     13.73990841      5.01015147    -13.02957798
  O     10.34841026      9.80423346    -13.50684068
  H     14.44279912      8.20062297    -11.57752254
  H     15.61359991     11.02391745    -13.24199726
  O     11.00913992     10.27080433     -8.52910106
  H     11.60003147      5.98930434    -10.59519380
  H     15.34617210     11.70043437    -14.60570210
  O     14.06111852      4.48148052    -12.28948141
  H     12.15645133      7.29985136    -11.20637850
  H     12.42923973      9.06247900     -8.38153357
  O     15.02828877     11.01702354    -14.02173095
  H     13.48584366      5.53400309    -15.43454210
  H     13.38145274      8.55553846     -9.49223753
  O     13.21086203      8.52112406     -8.53720629
  H     13.87129664      6.82460376    -14.68017593
  H     16.85952636      8.11781755    -11.93977094
  O     16.07077710      7.62604464    -12.19419330
  H     12.82687124     11.59190171    -10.80859822
  H     16.08913039      6.79293465    -11.70453224
          69
 Energy    -248.36254252207755     
  O     -2.53594652     -0.60850679     -3.29860664
  H     -1.75807403     -0.16107120     -2.94266447
  H     -1.28597259      0.77466933      6.46578603
  O      0.18107004     -1.28790264      4.03453989
  H     -2.39789552     -1.54715544     -3.11958055
  H     -0.05607014      3.36237943      1.96403661
  O     -4.50910691     -0.24430763     -1.39066468
  H     -0.14730393     -0.51132585      4.49893105
  H     -0.68936428      3.98587279      0.70693092
  O     -2.24900674     -3.30428107     -2.29504602
  H      0.57517090     -0.99768888      3.19908918
  H     -3.37413526      1.03863593     -0.81010742
  O     -0.14978628     -2.16387555     -0.67279924
  H     -3.96757958     -0.27632895     -2.19366637
  H     -1.83978986      1.25549331     -0.93645185
  O     -3.25512068      3.80442480      2.88893301
  H     -4.37998188     -1.10511584     -0.96898538
  H     -1.47193322      1.23448833      2.39702855
  O     -4.25565889     -2.36608213      3.99264311
  H     -2.42806974     -4.13109914     -2.73646857
  H     -2.31411445      0.95418917      1.12586254
  O     -0.40842647      0.44101733     -1.64706473
  H     -2.92397700     -3.20856041     -1.60311154
  H     -3.23673777     -2.52183455      0.39016758
  O     -5.54701252      2.07452510      3.04610089
  H     -0.64343738     -2.66534410     -1.33139516
  H     -4.74431502     -2.82605771      0.39931276
  O     -3.63691398      0.36413960      4.18877634
  H     -0.71187605     -2.17836903      0.11832989
  H      1.38689067      0.18928621      1.03777511
  O     -2.53644382      4.23817891      0.16555626
  H     -3.11308204      4.05976696      1.96816031
  H      1.00849793     -1.26859269      0.78413669
  O     -1.23437670      0.77987347      5.51325248
  H     -4.05439270      3.26500104      2.90447023
  H     -1.69751880      3.09940734      3.37196978
  O      0.14016348      3.64470567      1.05878949
  H     -3.38952267     -2.78514636      4.05888728
  H     -0.83922603      2.15372932      4.27019090
  O     -2.64514614      1.60573176     -0.52759807
  H     -4.10421555     -1.42659804      4.16407722
  H      2.45515537      2.04694439     -0.33843315
  O     -2.03115966      0.57489104      1.96753028
  H     -0.30161205     -0.46704647     -1.32841428
  H      1.09447021      2.44635156      0.27837871
  O     -3.98452331     -2.74264723     -0.18875870
  H      0.32469798      0.93983506     -1.26459619
  H     -1.14678072     -4.13599422      4.19324073
  O      1.22572824     -0.64847479      1.48790636
  H     -6.41094078      2.41943215      3.25592315
  H     -0.89608064     -2.61663746      4.03762974
  O     -0.83939915      2.64712479      3.44327824
  H     -5.66750018      1.45556330      2.30392563
  H     -1.85415208     -1.16962121      1.65930124
  O      1.58244983      1.71639697     -0.14290821
  H     -4.37148485      0.96563287      4.02003818
  H     -1.77725635     -2.61504335      2.24147237
  O     -1.56203343     -3.32110420      3.92528845
  H     -3.11636032      0.37003575      3.36913775
  H     -5.32277194     -2.51427382      2.62756937
  O     -1.89064982     -2.10992919      1.42851791
  H     -2.84443085      4.79725116     -0.54298732
  H     -6.69660820     -2.99657336      2.10620721
  O     -5.90666398     -2.52936762      1.84781428
  H     -2.62867258      3.31958509     -0.14163654
  H     -5.93765437     -0.68211370      1.35642533
  O     -5.86244817      0.23707064      1.07181640
  H     -2.13458858      0.62357447      5.18276809
  H     -5.53789080      0.20788073      0.16417575
          69
 Ord_Energy   -248.362411    
 O   -6.26090527      -3.14441752      -1.25399971    
 H   -6.07162476      -3.36163902      -2.17649031    
 H   -6.53366375      -2.22013879      -1.22888815    
 O   -1.60114074      -3.15898228       1.46114647    
 H   -2.36185360      -3.17138910      0.860036254    
 H   -1.79294896      -3.79656005       2.14443493    
 O  -0.443273276     -0.754664779      0.772011042    
 H  -0.420463562     -0.833463967     -0.192007139    
 H  -0.729199529      -1.61317587       1.11356747    
 O  -0.373049736      -3.22847939      -3.53869224    
 H   -1.19625175      -3.66696453      -3.26074195    
 H   0.272077709      -3.91766572      -3.67359042    
 O   -3.04107237       2.36724091     -0.916715443    
 H   -2.90879774       1.84573293     -0.112050958    
 H   -2.29426837       2.17913795      -1.50474942    
 O   -1.39988649       4.33760643      0.355954468    
 H   -2.08653569       3.86056662     -0.127481759    
 H  -0.572676361       4.13241148      -9.84400809E-02
 O   -1.64111173      -1.67476881      -5.61544561    
 H   -1.08801746      -2.15627933      -4.99143648    
 H   -1.51833439     -0.727727592      -5.44347811    
 O   -5.33563614      -3.86408091      -3.86791611    
 H   -5.01259708      -3.05890512      -4.30946970    
 H   -5.76319456      -4.39229441      -4.53730726    
 O  -0.792004824       1.80034208      -2.46058202    
 H  -0.588766575      0.864663541      -2.31542301    
 H  -0.113288216       2.31443000      -2.00573683    
 O   -2.74295068      -4.30940390      -2.68072605    
 H   -2.95977068      -4.02551031      -1.78580558    
 H   -3.58262706      -4.29543638      -3.15545702    
 O   -3.38240910     -0.951878250      -2.26898503    
 H   -3.92393875     -0.162044153      -2.16102171    
 H   -3.57854176      -1.28698313      -3.15337920    
 O   -4.23115110      -1.62197506      -4.88925600    
 H   -4.49680519     -0.707109034      -5.03896999    
 H   -3.33525681      -1.72501385      -5.25144386    
 O   0.924555123       1.62765300       1.36248672    
 H   0.579784691      0.736406207       1.21379042    
 H   0.308962762       2.05386400       1.97104728    
 O   -4.83067274     -0.684769571       1.16757751    
 H   -4.42509317      -1.50769198      0.874647379    
 H   -4.09786701      -8.38721171E-02   1.35983098    
 O   -3.71339417      -2.91240191     -0.331308573    
 H   -4.63089943      -3.16877413     -0.512148619    
 H   -3.52137470      -2.19955754     -0.960610628    
 O   -5.13168383       1.28012681      -2.29065013    
 H   -4.51791000       1.79285264      -1.74287593    
 H   -5.77594900      0.835446358      -1.72508335    
 O   -2.56961012      0.911043882       1.41878271    
 H   -2.20732379       1.59031332       2.00058246    
 H   -1.84174311      0.309019893       1.20575488    
 O  -0.650516510     -0.921942055      -1.98209178    
 H  -0.363860548      -1.68848085      -2.49220419    
 H   -1.61383569     -0.881510556      -2.08878040    
 O   -1.75099981       1.04045832      -5.02767229    
 H   -2.70159650       1.19934666      -5.02733088    
 H   -1.40900624       1.43010569      -4.21365786    
 O   0.977026224       3.23624015     -0.821771920    
 H    1.03795862       2.63913226      -5.41923307E-02
 H    1.84665406       3.60238004     -0.957532585    
 O   -1.21593034       3.00051403       2.72190523    
 H   -1.29572630       3.57791972       1.94131684    
 H   -1.29010117       3.56000423       3.48977923    
 O   -6.77579069     -0.293737799     -0.663607061    
 H   -6.12744808     -0.397920340       5.71468398E-02
 H   -7.61758471     -0.119894207     -0.249702036    
 O   -4.67422295       1.15927136      -4.97297144    
 H   -4.90165615       1.27757323      -4.03481054    
 H   -5.18190241       1.80015182      -5.46391153    
          69
 Energy    -248.36226047711000     
  O     -7.66536927     -2.61364839      6.27110231
  H     -8.19925493     -1.88436306      6.60702482
  H     -4.10836961      0.18261073      1.48062977
  O    -10.15348984     -2.64578193      2.65717197
  H     -6.74187563     -2.36605633      6.40136615
  H     -7.07139134     -1.09547861      3.31192170
  O     -8.17712346     -4.15485154      4.09017946
  H    -10.28381416     -1.92049193      3.28537495
  H     -8.34311649     -0.42130985      3.93069500
  O     -5.42643558      0.39070093      0.25719263
  H     -9.57209665     -3.26757044      3.10816159
  H     -4.54595288     -1.90529666      5.58964034
  O     -5.89957136      0.68408311      5.76979559
  H     -8.03466931     -3.62347439      4.89436402
  H     -4.26876983     -2.19060164      7.08617962
  O    -10.01917640      1.44115862      0.66198843
  H     -8.25133873     -5.06257719      4.37177632
  H     -2.90016454      2.76026247      3.00860052
  O     -9.33196239     -0.40500346      7.12485899
  H     -5.76097920     -0.47086734     -0.01937731
  H     -1.54293824      3.30150332      2.51325459
  O     -4.05095376     -1.97189905      3.93969012
  H     -6.17533820      0.81658869      0.70100051
  H     -8.73355923      4.70629336      4.48843208
  O     -4.60889760      3.22796016      0.50781173
  H     -5.50701327     -0.09846430      6.17448283
  H     -7.66099135      3.85532452      3.78622830
  O    -10.09727466     -0.51284052      4.42661956
  H     -6.43929732      0.36204746      5.02916365
  H     -9.87024350      2.61855615      3.65415645
  O     -6.78496342     -2.07831667     -0.13920845
  H     -9.08930906      1.53275870      0.93634662
  H    -10.51190503      1.86197987      2.46560095
  O     -3.44216660      0.16630527      2.18443468
  H    -10.13307346      1.98737270     -0.11205545
  H     -6.52482085     -2.56586603      1.64643077
  O     -7.42379259     -0.27093761      3.67070099
  H     -9.84061592     -0.36627532      7.93055529
  H     -6.99811884     -3.27019777      2.97436638
  O     -4.91369301     -1.82194491      6.48921273
  H     -8.96263515      0.48493765      6.98458677
  H     -9.65789423     -1.84579657      1.14135073
  O     -2.32753630      2.83978694      2.22804058
  H     -3.68457556     -1.27895147      3.37780325
  H     -9.68053065     -0.46753904      0.43201351
  O     -8.47479319      3.80385449      4.31040350
  H     -4.81124114     -2.31830380      3.45016220
  H     -7.30085790      1.63774796      6.41963819
  O    -10.55928367      1.98513450      3.42220754
  H     -3.74490147      3.17497130      0.93612385
  H     -8.34819509      2.62298668      5.86883603
  O     -6.37596165     -2.63418121      2.59727006
  H     -4.79957514      2.33627051      0.19487956
  H     -4.11104908      1.33322119      3.46398549
  O     -9.30295120     -1.35095325      0.38650289
  H     -9.99859576     -0.49992219      5.38527111
  H     -4.75748007      1.68891589      4.81308072
  O     -8.18353799      2.00117713      6.58530668
  H    -10.36007581      0.37452468      4.13746257
  H     -7.07731332      2.34873470      2.01396735
  O     -4.27077906      2.07120258      4.07072085
  H     -7.70991065     -1.79844923      0.00024996
  H     -7.51063120      0.90046631      2.37587846
  O     -7.49488725      1.55500147      1.66011165
  H     -6.78913121     -2.67885291     -0.87946103
  H     -5.52228265      3.19652200      3.34276658
  O     -6.13004655      3.70163110      2.78291112
  H     -2.80537366      0.85959976      1.98302661
  H     -5.68426726      3.76416869      1.92525146
          69
 Energy    -248.36224909889984     
  O      1.71106142      2.38241094      2.78546653
  H      2.28909951      1.62758477      2.94281392
  H     -3.57763776      1.42856537      2.50963888
  O      0.48334899      3.28625376      0.55531788
  H      0.90793509      2.22717778      3.30356297
  H     -2.78057368     -0.71760206      0.51405828
  O     -0.72461632     -1.67116321      5.10033905
  H      0.99336509      3.00018009      1.33514970
  H     -2.73778961     -2.17677648      1.06447669
  O      0.82844392     -3.51893793     -2.34321631
  H      0.79870366      4.15588050      0.32415460
  H     -2.16318552     -3.64333045     -1.18602572
  O     -2.56039770     -1.00158732     -3.06115780
  H     -1.37805976     -1.04780365      5.43328788
  H     -1.10955310     -3.65248769     -2.30162328
  O      0.32061146     -0.93315795     -3.00381995
  H     -0.63951019     -1.45773411      4.15773379
  H     -0.64675008      0.20522648      2.90394129
  O     -2.57748894     -5.43103596      2.66003219
  H      1.36488610     -3.92481184     -3.01893206
  H     -1.44150086     -0.88865306      2.11759623
  O     -2.18330273      0.46610317     -0.71220539
  H      0.72379952     -2.58310742     -2.59384954
  H      0.93812866     -3.59414742     -0.48912428
  O      0.58761687      0.82607413     -0.83035461
  H     -3.18798286     -1.02867300     -3.77791023
  H      1.22961614     -2.55820584      0.62328684
  O      1.66651334     -4.30204274      2.99315112
  H     -2.46125937     -1.91597821     -2.73820823
  H      1.18663294     -1.80021650      4.95930508
  O     -0.79773313     -4.42137002      4.46173489
  H     -0.62846950     -0.87239753     -3.16742580
  H      1.99888488     -2.74605519      4.05472555
  O     -3.90209281      0.68669002      3.02982752
  H      0.52001056     -0.25106352     -2.34874340
  H      0.85136194     -0.82687163      1.59926620
  O     -2.99387173     -1.26951953      1.28062747
  H     -1.99370285     -5.10479115      3.36632587
  H      2.37841482     -0.59244915      1.63961357
  O     -2.04563387     -3.49136189     -2.13416453
  H     -3.21529025     -5.99874357      3.08282535
  H     -1.38744362      2.10403619      3.01936428
  O     -0.59069199     -0.68256274      2.52633737
  H     -1.21920498      0.55064044     -0.73839138
  H     -1.40304628      1.49258491      4.45801252
  O      0.90669759     -3.45848364      0.46624906
  H     -2.43971499      0.05708928     -1.54835952
  H     -3.18463990      0.49025139      4.63151940
  O      2.05620825     -1.92501134      4.55945740
  H      0.62139353      1.71772123     -0.46365655
  H     -3.22072764      0.73439532      6.15729806
  O      1.66194721     -0.88152332      1.06357429
  H      1.04139134      0.24507926     -0.20276386
  H      4.22226388      0.04439495      3.39861824
  O     -0.82745059      1.82904240      3.76044273
  H      2.23884141     -5.06375082      2.93371394
  H      2.87434947     -0.64119829      3.72051792
  O     -2.64740024      0.46662337      5.44385681
  H      1.40604305     -4.08144485      2.08457384
  H     -0.97188966     -3.64859226      0.66548155
  O      3.30136447      0.02568621      3.15272871
  H      0.05605818     -4.45815294      4.01391407
  H     -2.19952882     -4.38272799      1.29690761
  O     -1.93367305     -3.72468311      0.63758452
  H     -0.87056323     -3.52515413      4.81379094
  H     -1.33169330      2.86933159      1.07397053
  O     -2.13721348      2.41041201      1.34713490
  H     -3.75609497     -0.09342409      2.47429729
  H     -2.31139987      1.78222474      0.63261131
          69
 Energy    -248.36195851842348     
  O     10.64887890      9.92383609    -11.11907305
  H     10.10509730     10.39975171    -10.49775922
  H     18.45895574      7.18176249    -15.48376579
  O     14.18651936      7.28149120    -15.33641723
  H     10.79185977      9.03458994    -10.74749228
  H     16.81262159     11.73559541    -15.44770376
  O     17.83295291      9.90663278    -10.70001787
  H     14.86138327      7.72540824    -14.79423037
  H     15.28029969     11.79082890    -15.39703333
  O     18.09967640     10.98314995    -16.68703477
  H     14.64756733      6.99380915    -16.13149113
  H     16.51895000      7.68304754    -13.30768392
  O     12.58600688      9.48850775    -14.91851111
  H     18.10590539     10.57712051    -10.07891236
  H     16.02676642      9.17735038    -13.24992389
  O     13.33129364      5.74387032    -13.21284413
  H     17.15577382     10.31113523    -11.26845588
  H     12.18608897      7.36974792    -10.41017444
  O     15.87504099     10.79915325    -12.38276623
  H     18.40830022     10.29054991    -16.07573451
  H     10.91853680      6.81407898    -11.07758376
  O     15.81881311      9.61473798    -17.70285820
  H     18.87726558     11.39116936    -17.05790400
  H      9.80692725      5.54871707    -13.07051000
  O     15.58760801      4.15127591    -12.98538388
  H     13.05757426      8.67136011    -15.13494866
  H     10.40430204      6.97033897    -13.19756439
  O     18.60096463      9.00678452    -14.93404762
  H     12.93610751     10.16483757    -15.51160983
  H     18.97479592      7.44489315    -12.43912057
  O     16.05924402      6.75529129    -17.36239990
  H     13.56184007      6.21986990    -14.02441754
  H     19.00462465      8.84543837    -11.80095920
  O     18.05213861      6.30662299    -15.53975675
  H     12.37026594      5.76218558    -13.12489207
  H     16.84165300      5.40019369    -12.76218898
  O     16.07140748     11.93355147    -14.86347786
  H     15.98398746     11.29218504    -13.21105928
  H     17.18904095      6.50996758    -11.74078986
  O     16.11479295      8.40060345    -13.81503899
  H     14.92677173     10.68458270    -12.23116163
  H     16.98430773      8.23832151    -10.29538464
  O     11.22067015      7.37656170    -10.35399021
  H     16.65634121     10.03238034    -17.46353343
  H     15.65768720      7.45036565    -10.48090029
  O     10.56851499      6.07655020    -12.84615691
  H     15.94282938      8.66225429    -17.62543355
  H     14.54973294     10.61260599    -17.06478403
  O     19.45593858      8.28072240    -12.44176499
  H     14.73697542      4.61392489    -13.04625028
  H     13.60367045     11.81016348    -17.32238566
  O     17.39652494      6.18293672    -12.63251905
  H     15.40106202      3.30347674    -12.58942743
  H     13.80016240      6.91200791    -11.83632305
  O     16.60833474      7.35075965    -10.32943423
  H     17.67540070      8.85986051    -14.68649773
  H     13.74015363      8.43137763    -11.53031934
  O     13.92042841     11.22404409    -16.64004771
  H     19.10240322      8.86359523    -14.11863381
  H     12.36913632     10.17313326    -11.81401534
  O     13.93097733      7.56857189    -11.13853158
  H     16.13810128      6.14048311    -18.08721323
  H     13.01977597      9.89896947    -13.19468896
  O     13.21718034     10.06605129    -12.26170452
  H     16.76728285      6.53378330    -16.73282231
  H     10.23300254      9.17964667    -12.86010046
  O     10.22721822      8.64116687    -13.66083216
  H     17.88756940      6.05560514    -14.62484232
  H     10.95072689      8.97276527    -14.21019426
          69
 Energy    -248.36183576555578     
  O     -8.14523255     -2.34469226      5.50947711
  H     -8.69602699     -1.57809581      5.31667915
  H     -6.83466878      0.43822241      4.09182948
  O    -10.38349139     -2.19450259      2.48141675
  H     -7.28509053     -2.01661727      5.79884223
  H     -5.01267977     -1.47198845      5.36368013
  O     -8.26547569     -3.94559490      3.32524687
  H     -9.74974331     -2.88775982      2.70012178
  H     -4.96231719     -1.86525474      6.86134333
  O     -5.55342207      1.05437423      0.08653836
  H    -10.35184017     -1.57061222      3.21789801
  H     -0.82260958      2.63011665      1.50472467
  O     -6.47590687      1.13727573      5.83149825
  H     -8.34605747     -4.87055587      3.54169887
  H     -2.05207399      3.30453067      2.16305170
  O     -4.76218051      5.49407984      1.32244608
  H     -8.22143557     -3.45927557      4.16852970
  H     -9.29088424      3.25690333      4.68467037
  O     -4.30977057     -1.45312573      3.79661091
  H     -5.93815080      0.22219170     -0.20977275
  H     -8.51204924      4.10362200      3.65922277
  O     -3.94107031      3.37673732     -0.18543588
  H     -6.30202319      1.55920210      0.44175533
  H    -10.14469544      2.61541959      2.66720088
  O     -9.73413609     -0.13845811      4.34359462
  H     -5.80669755      1.71591093      5.43558015
  H    -10.40830725      1.11645242      2.77028581
  O     -7.13642288     -1.26856908     -0.38633432
  H     -6.05425640      0.31418343      6.10920109
  H     -7.01240228     -2.91106802      2.44272605
  O     -3.85979069      0.90497451      2.33894977
  H     -4.51780550      4.76800700      0.72100094
  H     -6.60618664     -2.01533517      1.22699913
  O     -7.23386253      0.18111525      3.25272875
  H     -4.76500690      6.29302763      0.80201098
  H     -9.93785122     -1.16857910      1.06343270
  O     -5.50170787     -1.43075203      6.20634754
  H     -4.90289895     -1.90097861      3.17734970
  H     -9.94717602      0.33511238      0.73911497
  O     -1.77482571      2.61135482      1.53709835
  H     -4.02865015     -0.64747627      3.34332330
  H     -9.26800558      2.19818989      7.00985019
  O     -9.39225774      3.77167817      3.87504276
  H     -3.12009553      3.09908740      0.23984071
  H     -8.13299637      1.70747878      6.07962770
  O    -10.33764925      1.83033507      2.12891944
  H     -4.48015698      2.57958266     -0.26556908
  H     -3.45181075      3.93317182      3.78618246
  O     -6.37635800     -2.25253134      2.13450103
  H     -8.90366359     -0.04945582      3.84710860
  H     -3.46263598      4.96092805      2.64181775
  O     -9.60376282     -0.50941966      0.43560854
  H     -9.71781786      0.56155063      5.00797905
  H     -4.53433589      2.05561044      3.60863037
  O     -9.07153572      1.96160143      6.10676334
  H     -7.24848154     -1.72936965     -1.21377996
  H     -5.52046057      3.24085958      3.86293270
  O     -2.87294451      4.45150385      3.21270899
  H     -8.02008581     -0.94999282     -0.12499357
  H     -8.62052026      2.17432501      1.43583517
  O     -4.85021466      2.67806205      4.27972445
  H     -4.44244429      0.88775800      1.56740599
  H     -7.43761648      1.43895788      2.05523410
  O     -7.65729591      2.14242296      1.42149386
  H     -3.05324164      1.36208517      2.06885342
  H     -7.04617908      3.55058648      2.32375599
  O     -6.71123781      4.23609533      2.92295596
  H     -6.85613741     -0.65759300      2.95974464
  H     -6.13211434      4.79925282      2.39472516
          69
 Energy    -248.36159411358818     
  O     -2.27024926     -7.08184650     -0.15727919
  H     -1.47301874     -7.24700381      0.36020709
  H     -4.71369267      1.03402238      2.42915514
  O      0.08683451     -7.12836232      1.37529461
  H     -2.85767481     -6.56405746      0.41389064
  H     -1.88302223     -5.72323418     -3.04507933
  O     -2.08453499     -2.98016322     -1.65944503
  H     -0.05582296     -6.48190078      2.08933620
  H     -1.63817008     -6.08873261     -1.56343386
  O      0.60217780     -3.28971067      1.33449589
  H      0.60383709     -7.83680966      1.74986254
  H     -1.27135804     -0.84955808      2.35679708
  O      0.05973246     -0.48570955      1.07910339
  H     -2.20562133     -3.05085814     -0.70054731
  H     -2.78061747     -0.58522836      2.65749423
  O     -5.74487259     -5.02387900     -0.81674748
  H     -1.69033058     -3.81625683     -1.94162503
  H     -4.61334835     -5.26742951      0.59333027
  O     -0.18304474     -5.14029400      3.21536316
  H      0.59805699     -2.35094357      1.12276599
  H     -3.32349695     -4.64929208      1.20879057
  O     -1.62713472     -0.32501135     -1.02201162
  H      0.84420592     -3.80646449      0.54976169
  H     -6.43720400     -1.92580214     -1.07855901
  O     -5.94723235     -2.10865950      2.26732726
  H      0.70759609      0.21209527      1.03119276
  H     -5.43559309     -2.14143822     -2.23377213
  O     -7.38540293     -2.96857914      0.17335423
  H     -0.51340928     -0.39198343      0.29662445
  H     -3.59714895     -6.45562996     -4.91434100
  O      0.95391815     -5.18758477     -0.59662035
  H     -6.41704384     -4.42948308     -0.46152595
  H     -3.87067811     -6.53322455     -3.39267868
  O     -4.28625066      0.27183252      2.04434303
  H     -5.30621571     -4.53605994     -1.52816816
  H     -1.24062195     -3.47506872      1.15861697
  O     -1.29349797     -5.56052402     -2.29997495
  H      0.25039627     -4.45998354      2.67795561
  H     -2.36266479     -2.55429913      1.65814905
  O     -2.02612365     -1.14431734      2.88430735
  H     -0.83655135     -4.66861778      3.74185848
  H     -4.41711550     -4.68833436      2.93197286
  O     -3.92989120     -5.40441380      1.26393190
  H     -2.52403810      0.01841099     -0.94762777
  H     -3.72170949     -3.89738404      4.05883045
  O     -5.82876502     -1.46394987     -1.66862216
  H     -1.71335927     -1.20768994     -1.41028901
  H     -4.56235042      1.32088885     -1.24035624
  O     -3.48127684     -5.98134842     -4.09575165
  H     -5.39041323     -1.32575713      2.25162883
  H     -4.88222336     -0.17938059     -1.05923963
  O     -2.18506009     -3.28968884      1.06189425
  H     -5.49874313     -2.76747682      2.81927061
  H     -4.22170234     -4.33101491     -3.46346714
  O     -4.57791936     -4.05702721      3.64666520
  H     -8.30936878     -2.95364812      0.40625678
  H     -3.64496246     -3.29936250     -2.47014462
  O     -4.34930921      0.55793673     -0.70877156
  H     -6.89111476     -2.66849721      0.95876997
  H     -5.06561457     -6.67979229     -1.51460803
  O     -4.46863068     -3.60151668     -2.88339855
  H      0.33376020     -5.30045438     -1.32727067
  H     -3.73665584     -7.44297379     -1.33149092
  O     -4.47005726     -7.30685661     -1.94596697
  H      0.77627332     -5.91731226      0.01093621
  H     -1.94656486     -2.51599585      4.07625922
  O     -1.96734783     -3.32726453      4.60943352
  H     -4.30959223      0.39433711      1.08177125
  H     -1.79093571     -3.06447913      5.51016611
          69
 Energy    -248.36132092334449     
  O     12.43586495     12.58643922    -13.01566347
  H     12.46066809     13.53544976    -12.92573033
  H     18.59425030     12.02269912    -17.32174912
  O     19.25858514      9.60914098    -12.37459928
  H     13.19744349     12.33571678    -13.56841501
  H     13.22130974      9.80675127    -16.74805076
  O     15.84951465     10.39755118    -11.22313923
  H     19.01714836      9.53032705    -13.30887110
  H     12.26170054     10.93134454    -16.34940685
  O     11.04712599     10.91356966    -14.93528509
  H     18.95398653     10.48134097    -12.10152014
  H     16.60503643      9.36285840    -14.23963507
  O     15.18776532      6.75180190    -12.96307099
  H     16.11536032      9.54581784    -10.84729288
  H     15.85778859      9.70062250    -12.91489875
  O     18.90532747      7.23275295    -11.15986007
  H     16.61563984     10.98168164    -11.27148267
  H     13.17117112      8.76602584    -10.41801655
  O     14.46882249     11.67006036    -14.60823483
  H     11.27052808     10.07244360    -14.51626612
  H     14.31975988      7.82849387     -9.97884474
  O     18.18293888      6.84398693    -16.02624677
  H     11.29636461     11.58368917    -14.28803575
  H     18.28352441     10.14320961    -15.60694890
  O     16.21466947      7.73766041    -10.53318911
  H     15.22713440      7.62718147    -13.37705444
  H     18.35062911      8.58403127    -15.44131786
  O     15.79509293     10.73701326    -17.83114267
  H     14.26428835      6.53259865    -12.80113837
  H     17.47060382     12.48071940    -15.04684537
  O     17.79807845      5.95793312    -13.50331191
  H     19.69859075      6.98222261    -10.69456173
  H     16.10406593     12.52220939    -14.35563637
  O     18.02932858     11.64447807    -16.65388157
  H     19.08141497      8.09875386    -11.57186927
  H     18.34855501     12.87829807    -11.36423324
  O     13.07602677     10.75734565    -16.84440603
  H     14.86891896     10.83153857    -14.33617510
  H     17.68477687     12.36491363    -12.66441104
  O     15.74049425      9.34517044    -13.80727812
  H     14.03119772     11.48492527    -15.44911985
  H     12.76745257     11.15328591    -11.84640913
  O     13.36174558      7.87935144    -10.08145319
  H     18.76104615      6.25678489    -16.50553374
  H     14.06877680     10.45201352    -11.37687138
  O     18.29570081      9.42236602    -14.96496770
  H     18.07205865      6.46528425    -15.13574282
  H     16.60700804      7.54217205    -16.86769663
  O     17.03525045     12.74643527    -14.22778167
  H     17.15536618      7.52279261    -10.56428664
  H     15.10264672      7.91051542    -16.77585540
  O     18.00065394     12.09562718    -11.78251287
  H     15.83760641      7.34455255    -11.33432965
  H     12.14345797      7.80434079    -13.16089205
  O     13.11659734     10.32195160    -11.50343729
  H     15.88425012      9.77504707    -17.73632293
  H     12.61546766      9.25239221    -12.93686480
  O     15.90374560      8.03961385    -17.29881709
  H     14.86269595     10.92877200    -17.69136439
  H     12.03365920      5.52503239    -11.82594098
  O     12.25905225      8.65266638    -13.60685602
  H     18.25172358      6.30409874    -12.72652701
  H     12.74405240      6.79960529    -11.30605815
  O     12.49670995      6.30754551    -12.11075197
  H     16.85340322      6.08452193    -13.33515948
  H     13.02061538      8.24664507    -15.19111124
  O     13.32804347      8.00905569    -16.08009316
  H     17.20581494     11.37633904    -17.10257379
  H     12.69533948      7.38242622    -16.42594915
          69
 Energy    -248.36126160878672     
  O     -3.07115392     -0.13536875      3.20538043
  H     -3.20859951      0.80374993      3.38912779
  H     -4.53946685      1.96937084     -1.58453792
  O     -0.81898605     -0.24609474      1.61380271
  H     -2.23728029     -0.21460638      2.72265004
  H     -7.56022779      3.03258346      0.60757350
  O     -4.70561344     -1.06912429     -2.58649993
  H     -1.02862817      0.17085949      0.76448154
  H     -8.45562250      3.95690124      1.46576233
  O     -1.89646043     -1.52103031     -2.18733870
  H     -0.22169949      0.35813906      2.06958854
  H     -1.39905112      3.56075132      0.84015004
  O     -4.79606510      0.29216586      1.07441967
  H     -5.08752955     -1.52341047     -1.82211874
  H     -0.68824499      2.47069354      0.00992628
  O     -6.23887238      1.85711547      2.96663465
  H     -3.75317009     -1.20505112     -2.52767036
  H     -3.89848470      4.59991561      1.08880615
  O     -8.02250011     -0.76947982      0.70833285
  H     -1.89500325     -1.96799956     -1.32108995
  H     -3.48955220      3.31222932      0.33447520
  O     -3.60900454      2.60665742      3.48364233
  H     -1.36562479     -2.05603254     -2.77161231
  H     -5.75279203      6.37385234      0.71422495
  O     -5.87034304      1.35889269     -2.73779942
  H     -5.45967780      0.81203542      1.54375271
  H     -6.18708240      4.96274997      1.14287393
  O     -5.65514061     -2.03820263     -0.15402118
  H     -4.14415244      0.03657743      1.73987555
  H     -5.76593219     -1.71162656      3.58371140
  O     -4.13699731     -3.73410402      1.53107722
  H     -5.37711423      2.18751008      3.25876890
  H     -4.23728340     -1.48672492      3.61597260
  O     -3.92829690      2.02637432     -0.84196928
  H     -6.68458561      2.56329376      2.48390862
  H     -0.53416592      2.41324516      4.16505832
  O     -7.54629023      3.72518158      1.29536490
  H     -7.89105884     -0.79614870      1.66301476
  H     -0.90740625      2.30602248      5.65119176
  O     -0.53934065      3.14685768      0.68343982
  H     -7.35182844     -1.35950651      0.33895339
  H      0.23641917      2.43768049      2.04288082
  O     -3.22501850      3.90714843      1.05150688
  H     -2.83473678      2.74900621      4.04546886
  H      1.55510911      2.07491713      2.76630514
  O     -5.42789534      5.56321619      1.09862836
  H     -3.44321312      3.07233962      2.65112547
  H     -7.94336949     -0.56934623      4.24702420
  O     -4.91948480     -2.17335543      3.59115049
  H     -6.12192737      1.55180673     -3.63649969
  H     -6.97473463      0.30266782      3.41771110
  O     -1.19985636      2.67206024      4.81944125
  H     -5.47640220      0.46697146     -2.74235776
  H     -1.42987576     -1.93536199      0.89784933
  O      0.61280293      1.93003942      2.78652640
  H     -5.35960207     -1.21043102      0.25842430
  H     -2.58117320     -2.97529337      0.76963355
  O     -7.32648993     -0.59799856      3.51939565
  H     -5.20792494     -2.74453084      0.32557123
  H     -2.27062814      1.34168353     -0.93544579
  O     -1.83814421     -2.57517304      0.30212403
  H     -4.20980477     -4.65678926      1.75978391
  H     -1.44451729      0.14112710     -1.43374706
  O     -1.39664670      0.92801958     -0.87757582
  H     -4.42998519     -3.22807377      2.31028172
  H     -7.80346908      0.84195691     -0.09682082
  O     -7.58013229      1.71435631     -0.45327643
  H     -4.24117739      1.38186729     -0.18701247
  H     -7.06139327      1.57365262     -1.25218411
          69
 Energy    -248.36111398740462     
  O     13.96553327     11.35674041    -16.16643871
  H     14.92754851     11.39976825    -16.14141398
  H     12.77134953      6.03165866    -13.42727411
  O     13.75252483      7.07748708    -12.27131021
  H     13.72952908     10.49009237    -16.52402992
  H     14.14866356      8.56753895    -15.19239682
  O     17.98363890      8.84405802    -12.29137133
  H     14.65829415      6.88786829    -11.98996266
  H     14.31054250      7.92421456    -13.76893529
  O     16.98080894      7.24868040    -15.53702219
  H     13.43154551      7.83629603    -11.76651793
  H     12.95369021     11.90985414    -14.85700551
  O     11.00130911      7.83062901    -15.41775508
  H     18.44193022      9.10885995    -13.10221324
  H     11.84469582     12.89475088    -14.42248758
  O     15.57109118     11.34195745     -9.50758506
  H     18.25605291      9.38488484    -11.53956410
  H     16.43527032      7.27133870    -10.02208126
  O     12.82224222      9.36651878    -10.98640431
  H     16.24244891      7.70505821    -15.10161061
  H     17.06451784      8.53383275     -9.39630623
  O     15.94035342     10.50984075    -13.19577477
  H     17.11371455      6.43015694    -15.04269310
  H     11.67394816      9.44477458    -12.52644602
  O     14.62458648      4.68836227    -15.50507244
  H     10.07239441      7.75236813    -15.61865600
  H     11.61794078     10.49513290    -13.65463431
  O     14.11386513      9.07111014     -8.51129477
  H     11.07555933      8.45780709    -14.67527092
  H     18.23653509      8.62847173    -15.22415249
  O     16.84450808      4.88217909    -13.98734116
  H     15.02184323     11.68009075    -10.22606083
  H     18.20997429     10.16068579    -15.27313742
  O     12.38890348      5.61420484    -14.21222993
  H     15.03441051     10.67524139     -9.06098661
  H     17.00944084      7.37221477    -12.01223465
  O     14.75107656      8.44992183    -14.44938377
  H     13.11773316      9.22038744    -10.07898303
  H     16.61404717      5.93571205    -12.44957705
  O     12.38000545     12.16826457    -14.11385424
  H     13.21091367     10.21022850    -11.25732977
  H     17.18506355     10.68460471     -9.75779556
  O     16.41606846      7.83774838     -9.23949276
  H     15.41333969      9.84668451    -13.67047588
  H     18.64181798     10.61532750     -9.24889579
  O     11.32070022      9.61045609    -13.40842336
  H     16.65128661     10.01331635    -12.77379639
  H     15.53656490      6.50729525    -18.40954835
  O     18.69496138      9.41666013    -14.89988736
  H     14.68105990      5.24931179    -16.28459757
  H     15.87906169      6.90820769    -16.95828879
  O     16.45186046      6.61258961    -11.78173023
  H     13.79488415      4.92573535    -15.06241138
  H     14.73986288     11.38145337    -12.28154305
  O     18.02948172     10.20976553     -9.85707393
  H     13.85418995      8.80927935     -7.63227460
  H     13.38778941     12.08262552    -12.50681789
  O     15.14536374      6.70339002    -17.56135016
  H     14.90785055      8.55321647     -8.73635564
  H     16.52728403     11.30380991    -14.68334319
  O     13.98922883     11.78450404    -11.81476624
  H     17.31529183      4.05326748    -13.99883873
  H     17.11900222     12.47017635    -15.50495472
  O     16.80852888     11.56959669    -15.57585248
  H     16.01913894      4.74289473    -14.48794367
  H     12.43762107      8.33625292    -16.46178809
  O     13.26966331      8.69885574    -16.79679665
  H     11.85217033      6.29278028    -14.63611062
  H     13.79123446      7.97798042    -17.17249909
          69
 Energy    -248.36080688294834     
  O     16.77672971     10.02762159    -10.36181931
  H     15.97952074      9.75646418    -10.83862296
  H     14.06940092     11.29680189     -7.35701924
  O     14.26674323      5.47382013     -6.10312331
  H     17.45400574      9.35482340    -10.52585347
  H     13.87893546      8.50200373     -5.10849637
  O     17.42782680     12.17825013     -8.83373021
  H     14.67779511      6.09855947     -5.49298934
  H     12.57801463      8.15334834     -5.86292252
  O     11.77056445      6.70046147     -6.72930983
  H     13.37325401      5.80519913     -6.26424192
  H     17.09381827      2.70821127    -11.31308416
  O     14.54687897      8.94813907    -11.55753857
  H     17.81798347     12.86679669     -9.36696496
  H     16.74949932      4.05675933    -11.96578636
  O     18.55489495      7.97681514    -10.78776125
  H     17.18631026     11.45765051     -9.44129950
  H     15.43761096      7.07290587     -8.37356586
  O     20.56374394      8.83775731     -9.01459343
  H     11.81149055      6.92410174     -7.67566450
  H     15.02386499      5.74116518     -7.69431556
  O     17.87429235      5.61176356     -9.52409934
  H     10.89803736      6.34991599     -6.57060072
  H     16.00059167      8.17945796    -12.64944309
  O     11.91239591      7.37340423     -9.36126903
  H     14.38249405      8.02148149    -11.32774322
  H     17.44043918      7.72190345    -12.32304517
  O     15.34442086     12.50182463     -6.97954167
  H     13.81077482      9.44217071    -11.17533650
  H     14.88105806      9.36813000     -7.90558785
  O     12.44576896     10.11449956    -10.07071859
  H     18.30603633      7.13511416    -10.37625871
  H     16.07733513      9.22643562     -8.88489160
  O     13.50635347     10.55287316     -7.61233066
  H     19.33775374      8.28399967    -10.31346103
  H     18.58743502      9.85553408     -6.78260258
  O     13.09592069      8.89166599     -5.51559523
  H     21.49138536      9.05611758     -8.98614526
  H     18.55834335     11.07511516     -7.74235034
  O     17.37999114      3.61667304    -11.37646242
  H     20.11057423      9.45655995     -8.41465923
  H     15.71642615      7.46864465     -3.59033052
  O     15.37921867      6.11633340     -8.51150981
  H     17.82084879      4.86056009    -10.12844289
  H     16.22409266      7.86494933     -4.99186103
  O     16.70025676      7.57572316    -12.92641530
  H     16.99584233      5.71915599     -9.13041403
  H     14.50672906      6.11977579    -10.05381938
  O     15.65050719      8.82610030     -8.11772881
  H     11.98460055      8.30027032     -9.61559016
  H     14.44940770      5.75749338    -11.56718812
  O     19.14165191     10.43056242     -7.32635459
  H     12.52081808      6.89422643     -9.93874988
  H     18.86506257      6.22478515     -8.07066345
  O     15.44071212      7.57189436     -4.49796783
  H     16.07863973     12.43986152     -7.60804798
  H     19.86762277      7.37236979     -7.89593319
  O     14.02212338      6.27847810    -10.87945902
  H     15.73679827     12.71900920     -6.13643003
  H     16.84850199      8.58545885     -6.82317948
  O     19.29623137      6.77400364     -7.40155660
  H     11.77384093     10.76477406    -10.25861135
  H     18.12718185      7.76859299     -6.46898655
  O     17.49783721      8.42053897     -6.12240094
  H     12.79793830     10.32316069     -9.18736062
  H     16.04338525      5.96548732    -13.00937943
  O     15.59189021      5.10297310    -12.96318672
  H     13.27962867     10.04933855     -6.81453264
  H     15.26835641      4.91767689    -13.84108204
          69
 Energy    -248.36069420646115     
  O     -3.80366978      1.54330399      4.31928778
  H     -4.31190249      2.34342798      4.12129645
  H     -4.36582745     -2.11371419      2.32673496
  O      0.43219869      4.90270085      1.28742824
  H     -4.36820436      0.88145212      4.73756691
  H     -2.81609527      3.51378510      0.80732730
  O     -0.60461862      0.00785894      1.49301523
  H      0.59526206      4.17393477      0.66221362
  H     -3.63373895      2.21096698      0.62083278
  O     -5.34041687      0.77076999     -1.80564905
  H      0.90572394      5.66026257      0.95410141
  H     -6.80584204      2.36185762      0.83650022
  O     -3.18462972     -0.86096334     -1.60807597
  H     -0.85592717      0.43812806      0.66238092
  H     -6.33497775      3.62221658      0.10449291
  O     -4.18799446      0.85846509      1.64164561
  H      0.34778624      0.13808178      1.58186807
  H      0.19491010      2.23036470     -0.68464343
  O     -7.68214814      3.01625544      3.59021808
  H     -5.93798506      0.60166392     -1.06324002
  H      1.41734389      2.10317055      0.24235750
  O     -7.71591555     -1.55290711      2.08603457
  H     -5.34268727      1.72777620     -1.91629294
  H     -1.83609708      3.46123995      2.74639738
  O     -1.23342037      1.90343854      3.50054538
  H     -3.96664409     -0.28857473     -1.70882069
  H     -1.31233735      4.67668975      1.96451179
  O     -5.25249351      3.64912106     -1.53718823
  H     -3.17817519     -1.44731310     -2.36040154
  H     -4.02042493      4.19883076      2.92485216
  O     -6.71251825      0.56902378      0.60170656
  H     -4.07065926      1.08240078      2.57298093
  H     -5.38940419      3.68994142      2.40088441
  O     -5.17883999     -2.20250137      2.83731088
  H     -3.74958798      0.01174641      1.48969547
  H     -5.43005570     -0.95179910      6.10322085
  O     -3.22567872      2.94815421      0.13996922
  H     -7.63112459      3.18399920      2.64016426
  H     -6.21544307     -0.25952126      4.96037487
  O     -6.65897354      3.31251814      0.95643580
  H     -6.89138278      3.44350814      3.93321062
  H      1.12341760      3.75762804      2.72855470
  O      0.92309611      2.73264444     -0.29723453
  H     -6.82425352     -1.86646757      2.32293496
  H      0.46202080      2.64358507      3.55694645
  O     -2.12399633      4.26387402      2.28567277
  H     -8.26424237     -2.32618595      1.98728905
  H      2.93362157      0.61158041      1.82195786
  O     -4.87152610      3.84107284      3.20377652
  H     -1.09136193      1.21191780      2.84083345
  H      1.89308789      1.65668547      2.29228541
  O     -5.33381721     -0.57757824      5.23174736
  H     -2.06967545      1.71030572      3.94697378
  H     -7.77460144      1.23025499      4.04120382
  O      1.32238409      2.99090263      3.27868692
  H     -5.03402451      4.37391815     -2.11720511
  H     -7.87666178     -0.23688558      3.52145081
  O      2.05508897      0.93991258      1.65244979
  H     -4.46704390      3.48263776     -0.98654680
  H     -3.01070963     -1.46863345      0.19442744
  O     -7.67991224      0.30180743      4.29588028
  H     -5.84438476      0.62530716      1.03274203
  H     -2.03515939     -1.19781354      1.37095209
  O     -2.91185815     -1.54579363      1.15323811
  H     -7.18117294     -0.16232500      1.01914504
  H     -2.00197540      1.88400169     -0.63315111
  O     -1.37070949      1.20823215     -0.92259904
  H     -5.05849898     -1.71035429      3.65912478
  H     -1.89444438      0.48864086     -1.29414554
          69
 Energy    -248.36068093682150     
  O     -7.53140065      2.68551857      1.10264162
  H     -7.02491333      3.00713135      0.33491910
  H     -5.05865806      0.55614082      3.55082450
  O     -5.19835373      1.94057427     -3.22623727
  H     -8.29718885      3.24838632      1.17989841
  H      0.17141060      2.50996300      0.95243366
  O     -5.21450896      1.97747593      2.49509401
  H     -5.44659944      1.16151927     -2.69675860
  H     -0.70537310      1.30562456      1.34859257
  O     -3.02981400     -1.35236924      2.13114368
  H     -5.78875413      1.95927986     -3.97562930
  H     -1.66995033      2.65795303      0.04452847
  O     -1.62051648     -0.88380806     -1.85546072
  H     -4.81565957      1.54206399      1.72437185
  H     -2.80552428      3.58710030     -0.46970790
  O     -5.73752719     -0.10529801     -1.53291024
  H     -6.07716156      2.28770055      2.19329075
  H      1.86633469      0.73664085     -0.13486627
  O     -4.53216808     -3.35462581      0.91968215
  H     -3.57191313     -1.03703569      2.86481711
  H      0.98092306     -0.41488512      0.36308828
  O     -4.03014479     -2.33277704     -1.51545699
  H     -3.48510366     -2.11913588      1.75610064
  H      2.13271179      3.28184896     -0.58366314
  O     -2.37700426      1.53761221     -3.03968996
  H     -0.73924476     -1.06945807     -2.20327773
  H      1.07982675      2.40380623     -1.29526538
  O     -0.83213111     -0.44040300      0.81224091
  H     -1.93268973     -0.08801429     -2.30915022
  H     -7.84524737      0.83999757      0.52918258
  O      1.09779401     -0.99469984     -2.62074181
  H     -5.10400897      0.17756413     -0.85523028
  H     -7.51889979     -0.63863585      0.84731134
  O     -4.90316751     -0.31222843      3.95955879
  H     -6.59147549     -0.15289166     -1.07876042
  H     -3.69564401      3.11859449      2.63424522
  O     -0.62621335      2.26692477      1.44220225
  H     -4.55922990     -4.30689112      0.89333357
  H     -2.17037750      3.21596942      2.32375810
  O     -2.33668462      2.76280248     -0.64733957
  H     -4.36794546     -3.05133247      0.00808560
  H     -5.99276986     -2.31534768      1.63538094
  O      1.80468531     -0.22593048     -0.10867104
  H     -3.17097416     -1.92327875     -1.67884540
  H     -6.12584959     -1.27961945      2.76157560
  O      1.46190445      2.62232902     -0.42661863
  H     -4.69403718     -1.64704640     -1.67020216
  H     -3.34109341      1.36542988      0.04764014
  O     -7.86706240     -0.04977633      0.16041935
  H     -3.29326600      1.65012031     -3.31469966
  H     -3.50268130      0.02589029      0.86947914
  O     -2.96959972      3.73565198      2.47095025
  H     -2.30738962      2.03213539     -2.20556841
  H     -3.59680968      5.92938164      0.22043913
  O     -6.60892675     -1.69066765      2.03679756
  H     -1.46628087     -0.87649842      1.39714235
  H     -3.51701461      4.63903753      1.07376495
  O     -3.97260626      0.72774310      0.40320241
  H     -1.14150484     -0.58053241     -0.09429645
  H     -5.66904993      3.12210165     -1.72204176
  O     -3.77155119      4.99241029      0.20199581
  H      1.70518037     -1.60291038     -3.03232402
  H     -5.24726295      4.12051670     -0.60938794
  O     -5.98183392      3.58852760     -0.93936592
  H      1.44778616     -0.80099382     -1.73257615
  H     -0.46826937      1.80702792     -3.08995602
  O      0.46407208      1.79437446     -2.84163426
  H     -5.01460566     -0.19979205      4.89987670
  H      0.73987525      0.87236174     -2.92051038
          69
 Energy    -248.36039119202181     
  O     17.46985924      8.31789353    -12.00096814
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  H     14.45657137      7.18725394    -13.87500359
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  H     17.85941574      8.81541183    -11.27100117
  H     15.33091908     12.10905671     -6.30647573
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  H     12.64839248     12.08320090    -13.28593098
  H     15.43556443     10.79722206     -7.10421845
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  H     13.28353610     11.05424145    -11.34284885
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  H     19.10817777      6.45963490    -14.03845373
  H     13.81809121      9.91139112    -10.40707158
  O     18.35733442      9.85960941     -9.85400223
  H     18.34579683      7.61357287    -13.34400968
  H     16.90508925     11.98688640    -14.85789601
  O     20.11439767     11.10767697    -11.64135611
  H     12.72851481      8.54393525    -14.00243677
  H     16.89693614     12.62197785    -13.41706813
  O     16.37616423     11.79118339     -9.72907853
  H     11.99584391      9.73156584    -13.32085423
  H     17.86916604      8.55800466     -8.70001991
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  H     16.43948851      6.89622143     -9.49114990
  H     18.16323886      7.56478230     -7.55441689
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  H     16.45606411      7.22908027    -10.98701414
  H     15.02149914     10.24067780    -12.21500506
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  H     19.07239137     10.26988007    -10.35747192
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  H     17.65403427     10.52293289     -9.77683835
  H     19.61370618      9.09670346    -14.17287262
  O     15.75167600     11.71627086     -7.06605391
  H     20.99806184     11.46252257    -11.58915057
  H     19.21893504     10.45459048    -14.77205902
  O     14.03815594     10.75986437    -10.81822654
  H     20.02283327     10.71749249    -12.52891055
  H     17.45239564     10.07493944    -16.04652733
  O     16.34287826     12.37096508    -14.17367288
  H     15.53503670     11.49788908    -10.10557429
  H     18.10144823     11.15859832    -16.93896110
  O     17.48711481      7.83940296     -8.16899724
  H     16.22176306     11.90949665     -8.78077204
  H     14.42450132      7.72664606     -9.94496455
  O     15.56254647      9.98675974    -12.97404523
  H     11.75874851      7.67965829    -12.18400549
  H     12.90372259      7.83818815    -10.20021844
  O     19.79351959     10.04318429    -14.11553811
  H     10.92461869      6.61619194    -11.42892987
  H     18.63355892     12.34009171    -11.84008645
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  H     17.50246546      7.95574481    -15.41635753
  H     17.29191805     12.60786918    -11.13339454
  O     13.63959230      8.25112488     -9.73092863
  H     15.98455341      8.20175726    -15.57452016
  H     13.57913024     13.73593391    -14.96361983
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  H     13.37569051      6.19971739    -12.13813253
  H     14.63720288     12.85915553    -14.27805088
  O     13.68620691     13.05289036    -14.30662633
  H     14.84731148      6.04222024    -11.73495962
  H     15.84180229      8.61818660     -7.54706745
  O     15.01669350      9.08676939     -7.37151974
  H     14.83391804      8.69160536    -13.96061908
  H     14.40492897      8.81390657     -8.06625753
          69
 Energy    -248.36010289214104     
  O     16.95004662      7.91469079     -9.75986372
  H     16.36323821      7.18500588     -9.52398184
  H     14.56916629      5.82857421    -13.59194364
  O     10.94229931      8.71514097    -12.10231184
  H     17.51327279      7.57623836    -10.46533812
  H     15.24512090      7.92743162    -13.32514838
  O     12.43334548      3.72478667    -12.91933995
  H     10.29634937      8.00566005    -12.19524946
  H     13.71719117      7.98009104    -13.68640707
  O     14.63394717      6.15534507    -16.32258033
  H     11.33753776      8.83596296    -12.97783229
  H     15.86975773      9.27039925    -10.30644006
  O      9.42649627      6.25885769    -12.18949630
  H     13.26729954      4.06886773    -13.27231742
  H     14.36258356      9.36035207    -10.58786450
  O     16.55582643      4.71070346    -11.60520175
  H     12.17533784      4.30799068    -12.19229662
  H     13.13156992      2.46904465    -11.63591207
  O     16.17873348      8.36703837    -16.41405501
  H     14.75091685      5.56557005    -15.56681407
  H     14.46211021      1.95617599    -11.02631084
  O     13.07915924      3.89604843     -8.86939548
  H     13.68341210      6.30190963    -16.40906239
  H     12.30633901      8.21997573    -11.08071678
  O     11.85128676      6.73621059    -16.39821681
  H     10.10671594      5.88207141    -11.60637106
  H     13.65330899      7.64969674    -11.58041767
  O     14.41653507     10.38853404    -15.34500078
  H      8.58289104      6.05331159    -11.79373075
  H     11.22947189      4.54820708    -14.10027548
  O     12.34660432      8.79903794    -14.54461441
  H     15.97489853      5.09343334    -10.93225561
  H     10.13006561      5.59310367    -13.84073863
  O     14.79378598      4.90522317    -13.79008152
  H     17.23902571      5.36716487    -11.78719723
  H     12.11262008      6.21215733    -10.75220695
  O     14.38612801      7.52632363    -13.15396284
  H     15.63105542      7.56101642    -16.41071152
  H     11.96998644      4.85648188    -10.01953425
  O     15.18751108      9.84406819    -10.68710131
  H     16.61671936      8.39740153    -17.26019590
  H     16.89532012      1.50035639    -11.91576678
  O     13.53008763      2.12455627    -10.82739086
  H     13.25798046      3.19308689     -9.52215054
  H     16.46912779      2.90472717    -11.45546166
  O     13.11582348      7.77668761    -10.78035375
  H     12.90740821      3.46596372     -8.03675632
  H     15.63144097     10.64876353    -12.14490786
  O     10.66397059      5.19727463    -14.53935577
  H     11.40373643      6.15439827    -15.75688465
  H     16.28218962     11.88859784    -12.80014795
  O     11.61230693      5.38517737    -10.74381433
  H     11.31802143      6.73386858    -17.18866297
  H     14.37507431      5.20552799     -9.26299436
  O     16.24388723      1.96312885    -11.39483922
  H     15.01554821      9.78462801    -15.80115632
  H     14.30786175      6.60198550     -9.92159407
  O     15.95793837     11.01207909    -12.98860894
  H     14.88949963     10.70100366    -14.56360162
  H     17.88129182      7.45549070    -12.70829293
  O     14.91836791      5.90423076     -9.64834958
  H     12.95577112      9.46346355    -14.90118815
  H     19.25344056      6.92713786    -12.22913158
  O     18.31436154      6.85647955    -12.07685227
  H     12.13038395      8.17652774    -15.24987585
  H     16.76497220      9.45430853    -13.50215922
  O     16.97934643      8.54758563    -13.76248823
  H     15.46615429      4.67200278    -13.13883985
  H     16.82303256      8.47047945    -14.71379802
          69
 Energy    -248.35999298982554     
  O     16.53885166     12.54668851    -16.91795093
  H     16.55345622     13.16715085    -17.64165833
  H     17.31053161      7.04483208    -18.02674720
  O     15.37134424      7.37595804    -12.86805746
  H     15.61725675     12.50439373    -16.60513137
  H     14.45697477      9.54170062    -15.12146025
  O     18.12005462     12.46579680    -14.53576355
  H     15.30818193      8.08304641    -13.52961646
  H     15.98047389      9.50933336    -15.36211795
  O     19.08014549      6.61391347    -17.54405033
  H     15.07048021      7.74919366    -12.03157460
  H     13.25231830      9.67012248    -11.77316417
  O     13.69523124      7.40233712    -17.81875827
  H     17.40063171     12.25855156    -13.92255325
  H     12.26448286      9.46732990    -12.95303127
  O     16.75653316     10.17297266    -10.86204050
  H     17.68771182     12.61770413    -15.38320031
  H     19.54987934      9.77763670    -12.58728512
  O     11.46153932      8.35569506    -14.26120876
  H     19.34235291      7.36142549    -16.98966995
  H     18.89553735      8.39031448    -12.48717695
  O     13.28503879     12.61377298    -13.29230412
  H     18.77276706      5.93850204    -16.92944871
  H     13.19053230      8.96600957    -16.86189328
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  H     14.66369475      7.34029626    -17.87564975
  H     12.33251844      9.32184862    -15.61783443
  O     14.83992009      4.98696958    -14.04437068
  H     13.35922091      7.18426365    -18.68500137
  H     19.78303515      9.48427678    -15.15859536
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  H     18.89205592      8.23972496    -14.94256964
  O     16.41796161      7.36531480    -17.83952983
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  H     17.86221272      6.49025572    -14.38978970
  O     15.30395411      9.40994068    -14.67875469
  H     10.52636588      8.17235021    -14.21799069
  H     17.20711316      7.30767224    -13.27724064
  O     12.67141301     10.13451216    -12.38769952
  H     11.88890514      7.54689367    -14.59550409
  H     21.02798347     11.40487541    -13.90559244
  O     19.10795905      9.17888056    -11.97373852
  H     12.76338912     13.26045572    -12.82512320
  H     19.51229298     11.49243159    -14.20658946
  O     12.97549569      9.67734680    -16.24521234
  H     13.01406759     11.73912011    -12.95812569
  H     17.90629144      9.57623475    -16.42340875
  O     19.31518434      8.78036094    -15.62584537
  H     15.32270307      9.29153630    -10.63859515
  H     16.96688840     10.75050444    -16.90496042
  O     18.05311779      7.16141739    -13.72030312
  H     14.30749015      8.57478083     -9.71548334
  H     15.08539594     12.14320383    -13.05344805
  O     20.24532074     10.87525631    -14.03005822
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  H     15.71758077     10.85070855    -13.60033905
  O     17.03374430      9.79662930    -16.78164972
  H     14.80044581      4.28500098    -13.39970958
  H     13.55088383     11.46295399    -16.25660149
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  H     13.71289316     12.51746973    -15.14940709
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  O     12.70590720      6.24586452    -15.40353323
  H     16.54482938      8.27700042    -17.53350697
  H     13.05684799      6.52777972    -16.25728461
          69
 Energy    -248.35960182392898     
  O     -5.59139479      3.68370396      1.38759131
  H     -5.08559430      4.16527789      2.06755033
  H      0.03490507     -1.87871317     -0.49572997
  O     -3.16446342     -2.01267255      1.33836253
  H     -6.50541981      3.69849927      1.65644891
  H     -2.42622697      2.05094778      3.83673455
  O     -0.22082684      4.03302014     -1.95265165
  H     -3.10980342     -1.77996919      0.39419502
  H     -1.76555152      3.12172930      2.96381983
  O     -2.86298320      1.35144970     -1.86368324
  H     -3.77909692     -2.73870298      1.40480877
  H     -1.77556332      6.43004720      0.87910160
  O      1.42113154      5.04481874      2.29318425
  H     -1.11597919      4.07653376     -2.31371672
  H     -2.60408028      7.66956048      1.28557340
  O     -1.33285251      3.26418442      1.28718953
  H      0.03088554      3.10495295     -2.00191312
  H     -4.38058577      2.35822161      0.98069994
  O     -2.77463348     -1.40366447     -1.29015460
  H     -2.97147616      2.19953089     -2.30985655
  H     -3.34200934      1.28842584      1.47598397
  O     -2.61158878      0.30831722      2.84511528
  H     -3.18096095      1.48003518     -0.95629316
  H     -3.44266806      5.60299388      2.57033742
  O      0.17167625      0.12074369      2.76441547
  H      2.09327815      4.36713680      2.15040406
  H     -3.35000555      4.35402995      3.49117050
  O      1.79209672      1.75131249      4.30304861
  H      1.01181598      4.82593080      3.13876495
  H     -1.03392769      1.17857598     -1.87739066
  O     -2.96038366      4.01322963     -2.78547321
  H     -1.11691943      4.10433538      0.86615680
  H      0.09235307      0.12744968     -1.84653426
  O      0.08307198     -1.70873517     -1.45368117
  H     -2.14308335      2.90618261      0.90253311
  H     -0.63972291      3.70496508      4.56252690
  O     -2.11506656      2.96181053      3.85806990
  H     -1.84525537     -1.59143019     -1.46991540
  H      0.10604656      4.58527550      5.58817443
  O     -2.63899780      6.71830764      1.22336447
  H     -2.92550334     -0.50621840     -1.61419129
  H     -3.66347827      5.74727686     -0.04202854
  O     -3.62366049      1.81980965      0.71819296
  H     -1.64346109      0.25921390      2.86588156
  H     -4.73770951      4.64493901     -0.03791211
  O     -3.96495640      4.98894078      3.10211769
  H     -2.90455814     -0.52568407      2.45520345
  H      0.63222515      1.45829341     -0.26539199
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  H      0.70333919      0.53893921      3.45469873
  H      0.13048086      2.33038462      0.90655766
  O      0.21686719      4.11472171      4.76530995
  H      0.40277858      0.59142647      1.95075076
  H     -0.01030229     -1.47958816      1.83715201
  O     -4.13371091      5.12810507     -0.61349862
  H      2.37134666      2.05029631      3.59070921
  H     -1.24025586     -2.24745666      1.32704866
  O      0.85255366      1.74655742      0.62892752
  H      1.30447943      2.53710562      4.57766337
  H      2.33675493      2.35328194      1.37342560
  O     -0.28811514     -2.15413786      1.20291820
  H     -3.40168438      4.43638318     -2.02747368
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  H     -3.31293041      4.42128676     -3.57192508
  H     -0.14910939      5.17301973     -0.54241289
  O     -0.33990191      5.65313266      0.27690396
  H      0.58315659     -2.42625312     -1.83346146
  H      0.37186081      5.50452583      0.91964870
          69
 Energy    -248.35951101930954     
  O     12.17851848     12.70344266    -11.85165008
  H     12.50468091     12.43788342    -10.98356335
  H     17.60756947     13.26185222    -16.94311367
  O     20.33426842      7.03230798    -13.05296735
  H     11.75163171     11.92098461    -12.22469509
  H     12.48949553     10.37774305    -14.47822248
  O     18.35716092     10.93629451    -12.44809179
  H     21.06119397      6.45315761    -12.83849521
  H     13.80719058      9.65259994    -14.75946319
  O     12.71950670      9.24306811    -10.86236037
  H     20.65568996      7.64439527    -13.73719254
  H     15.36707020      9.89222576    -12.99847101
  O     16.21009609      6.86382433    -12.18223621
  H     17.40236012     10.83109865    -12.59281903
  H     15.15668477     11.43265834    -12.95159267
  O     14.63727335      7.36075206     -9.88735362
  H     18.44872912     11.76996892    -11.97363956
  H     17.43172168      8.75858766     -9.86971400
  O     17.89971149      6.36008889    -14.45023598
  H     12.90056829     10.00904114    -10.30315683
  H     16.55096236      9.93258666     -9.38059901
  O     14.16495957     12.74192951    -13.74019767
  H     13.33144135      8.55390241    -10.58118696
  H     20.43243274      9.48249797    -15.10515263
  O     17.17082225      8.65574812    -15.80991498
  H     16.97745610      7.39343709    -11.91942501
  H     21.45154206      8.65413082    -15.90260150
  O     18.47175973      8.36870947    -11.40381877
  H     15.61192373      6.86790248    -11.42554137
  H     15.77054248     13.60625164    -13.69213944
  O     15.58523011     10.84749030    -16.69816590
  H     14.44611504      6.76876805     -9.16430088
  H     17.07665702     13.51396761    -14.48951986
  O     17.50299383     12.69849518    -16.18053926
  H     15.35843445      7.94438699     -9.58929085
  H     18.34192444     14.21382115    -10.97149986
  O     13.26901387     10.40587366    -15.04755814
  H     17.25956860      6.30324186    -13.72964035
  H     17.44296757     13.63602296    -12.08981500
  O     15.64013260     10.69969078    -12.54815270
  H     18.75745278      6.47044019    -14.02303879
  H     14.27199947     11.71605532     -9.54094041
  O     16.71568110      8.98902953     -9.26272594
  H     13.47282986     12.88197591    -13.07654344
  H     13.12884269     11.88899722     -8.51616566
  O     21.07873063      8.76214876    -15.03086468
  H     13.84132437     12.05776792    -14.34047870
  H     18.89897071     10.76756334    -14.13717370
  O     16.71178804     13.82951465    -13.65516717
  H     17.46516164      7.79391552    -15.47865845
  H     18.65698070     11.39226520    -15.53274234
  O     17.86065515     13.43350245    -11.23166178
  H     17.85538907      9.29307871    -15.57016069
  H     10.46299797      9.81624178    -12.98592534
  O     13.31097572     11.64340940     -9.41979524
  H     19.16927012      7.88115422    -11.85884003
  H     11.83371626      9.77375509    -12.27181253
  O     19.06989884     10.64497076    -15.08298397
  H     18.51051263      9.27533120    -11.74012023
  H     15.79346456     11.21268959    -10.87207663
  O     11.33450310     10.20348449    -12.99003042
  H     16.04716966     10.00739630    -16.57493602
  H     16.61873376     12.33969862    -10.23087086
  O     15.98787446     11.64180933    -10.02159192
  H     14.70992555     10.74015951    -16.30841628
  H     15.28460457      7.82464545    -13.42740344
  O     15.01340374      8.48330084    -14.07954111
  H     16.76132411     12.09870825    -16.37946019
  H     15.73886183      8.54442224    -14.71847581
          69
 Energy    -248.35941062222855     
  O     12.38249497      5.28875854    -14.70594233
  H     12.85464699      6.10107200    -14.93111839
  H     15.32610419      6.21727138    -15.07155483
  O     17.34559422      6.09021500    -12.76398416
  H     12.99062624      4.56378875    -14.89914363
  H     16.22414406     11.49704673    -13.88038676
  O     15.55389186     10.21591789     -8.44761202
  H     16.94168306      5.85502710    -13.61550917
  H     14.68986739     11.61624351    -13.92728019
  O     18.23059743      9.15336014    -14.87137676
  H     18.23574892      6.42023951    -12.93091112
  H     16.65584467      8.51128980    -11.02463092
  O     14.35370563      3.22222865    -14.82481729
  H     15.01995376      9.40103765     -8.46631958
  H     16.60317725      7.67044350    -12.32034992
  O     14.33071943      7.80547572     -8.50102442
  H     15.42866019     10.60746023     -7.58686418
  H     11.85179648      5.02366590    -13.07221843
  O     15.63468109      5.15747531    -10.82085007
  H     17.43394718      9.10968954    -15.41198631
  H     10.74110497      4.56868871    -12.09450078
  O     13.65174577      8.80168005    -12.59591019
  H     18.07812065      9.86392922    -14.23761326
  H     17.42304757      7.71738472     -9.07211384
  O     19.71768039      7.46709517    -13.34968482
  H     14.29378346      3.13459227    -13.85690183
  H     17.04052952      9.21894359     -9.00873773
  O     16.65554817      6.10626950     -8.47864934
  H     14.39229157      2.33852243    -15.17969284
  H     14.66209962      3.72518887    -11.61554771
  O     15.71424966      9.47532612    -16.25042970
  H     13.84263016      7.44715718     -9.25445981
  H     13.17781554      3.62614674    -12.01716924
  O     15.99671433      5.52306810    -15.02088717
  H     15.05035604      7.18446691     -8.33561830
  H     18.33997712     10.62896482    -12.17113902
  O     15.47166148     11.52262378    -14.48477152
  H     16.26733732      5.42141897    -11.50583881
  H     16.96881568     10.02054873    -12.47763941
  O     16.25659154      8.47064987    -11.90311157
  H     14.85690928      5.73067516    -10.89145669
  H     19.03746286      9.19935752    -10.58639865
  O     11.66151298      4.81197273    -12.13990273
  H     13.42157393      9.73739364    -12.57786942
  H     19.72509363      8.81577648    -11.91150593
  O     17.61891158      8.58390354     -9.45168964
  H     14.58490894      8.73492045    -12.33338508
  H     16.27959789     11.61989069    -11.28066875
  O     14.03429417      3.19213795    -12.11957224
  H     19.22407856      8.02413593    -13.97896386
  H     15.49993940     11.28173360     -9.98352949
  O     17.49919696     10.82385382    -12.61038120
  H     20.52446647      7.20906187    -13.78807612
  H     14.55286558      8.19068318    -15.57278326
  O     19.56264799      9.55663788    -11.31507242
  H     16.96384567      5.41710526     -7.89637959
  H     13.83184610      7.98812958    -14.22126403
  O     15.46650652     11.80234180    -10.79598398
  H     16.33615627      5.66896656     -9.28710993
  H     13.29837542      7.44739891    -11.46921355
  O     14.03213943      7.55680154    -15.06366399
  H     15.58098842     10.24767515    -15.67204733
  H     12.63614552      6.06666879    -11.20893628
  O     13.27826031      6.69650894    -10.85877946
  H     15.72523870      9.80188162    -17.14679316
  H     12.72420493     12.25752540    -12.36622568
  O     13.39674998     11.60025537    -12.52117921
  H     15.51656925      4.68600381    -15.03313732
  H     14.08542053     11.73284556    -11.84405292
          69
 Energy    -248.35918860889927     
  O     20.41791603     10.65236345    -10.63917680
  H     21.16883951     10.20798527    -10.20730928
  H     17.87645059     10.23110599     -8.63292761
  O     18.71972742      6.78844847     -9.32366353
  H     19.80144862     10.86950912     -9.92766964
  H     18.69656103     10.73500142    -13.47522499
  O     19.45558563      3.87747684    -11.71605675
  H     19.15346628      7.22708030    -10.07656869
  H     19.03872480     11.03712461    -12.00580087
  O     20.81480707      5.48584272    -13.70153858
  H     18.11869795      6.13689667     -9.70898101
  H     19.16240456      7.74353906    -13.14327627
  O     22.26891623      9.18916701     -9.30494667
  H     18.60098692      4.24677731    -11.44265709
  H     19.15156688      8.36774139    -14.55111984
  O     17.11504335      5.14133359    -10.88746506
  H     19.31167588      2.94624275    -11.87048702
  H     20.65234455      4.60640127    -10.40372972
  O     22.34676319      7.44975376    -12.54782887
  H     20.13871708      6.09854047    -14.02214694
  H     20.33273555      5.64505582     -9.33141449
  O     20.17713006      8.58569582     -7.56368650
  H     20.36678890      4.89997954    -13.08071762
  H     14.73994300      6.44810552    -12.76032564
  O     14.36437942      7.70336373     -9.04377197
  H     21.65912257      8.94393952     -8.59278193
  H     13.55047579      7.21434534    -12.16626941
  O     23.32174248      6.60489822    -10.07131668
  H     22.72830775      8.37942843     -9.54962000
  H     16.45575417      9.29554556    -10.75681857
  O     19.83382790      8.02702964    -11.46213367
  H     16.96400122      5.77308182    -11.60782183
  H     16.88167088     10.04443017    -12.05651480
  O     18.60108756     10.86084551     -8.48024704
  H     16.24657822      4.94627209    -10.51549373
  H     16.41376461      7.83850029    -12.46907230
  O     18.30211136     10.94974216    -12.62068160
  H     22.83427018      7.12377175    -11.78129201
  H     17.28665881      7.07248771    -13.48483284
  O     18.93165573      7.56231465    -14.06839640
  H     21.96873573      6.68819254    -13.01384562
  H     22.13412997      9.22033153    -13.03869697
  O     21.05776065      5.13002420     -9.70181470
  H     19.66525188      7.88185128     -7.97834075
  H     21.55493372     10.48752516    -12.37366483
  O     13.85465284      6.32560024    -12.38937975
  H     19.66584140      9.39288109     -7.69833263
  H     15.94911804      8.47660434     -8.88555907
  O     16.20331944      9.46956518    -11.67353711
  H     14.37011842      6.76487845     -9.26648026
  H     17.45256668      8.10812646     -9.05638991
  O     16.54089376      6.97108305    -12.87927230
  H     13.91549673      8.14608280     -9.77511788
  H     12.95314743      9.75687789    -11.66754974
  O     21.82249976     10.11934201    -13.22107404
  H     24.08157127      6.17472356     -9.68851375
  H     14.42158897      9.27758997    -11.61278260
  O     16.83373506      8.84866571     -9.02067753
  H     22.55481207      6.03196415     -9.89538095
  H     20.54538080     10.13278711    -14.40669398
  O     13.50072768      9.00377024    -11.46151387
  H     20.71197606      7.74540199    -11.75564565
  H     19.93995933     10.56443163    -15.76429722
  O     19.73688407     10.11129184    -14.95076172
  H     19.91945463      8.95678040    -11.21698117
  H     14.14131059      5.40063007    -10.93184017
  O     14.42542875      5.00616964    -10.08675980
  H     18.24423742     11.56931617     -7.95017985
  H     13.79375421      4.32467498     -9.87297611
          69
 Energy    -248.35914668005785     
  O     -2.96984988      1.35157228      1.25537375
  H     -2.77994333      1.41704975      2.20321816
  H     -0.81384615     -2.31804156     -1.41524058
  O     -3.42152034     -2.46497116      7.26558437
  H     -3.68423548      0.70563086      1.21618442
  H     -2.17802823     -3.54205968     -0.03134283
  O     -0.27516457     -0.69362321      4.40660891
  H     -2.58975438     -2.64092127      6.79457137
  H     -0.97486422     -4.44705072     -0.35895307
  O     -2.69266217      0.68925781      3.96469466
  H     -3.24582930     -2.60232599      8.19294308
  H      2.59355667     -1.99498072      3.89346776
  O      0.96352200     -4.64759603      5.16387526
  H      0.63449379     -0.37665269      4.39027500
  H      2.38113492     -3.11496757      2.85891694
  O     -5.11652159     -3.70739830      5.31989649
  H     -0.40529920     -1.14704660      3.55750507
  H     -1.44023523     -2.28301855      1.80355775
  O     -1.19395264     -2.92835555      5.72726865
  H     -1.83461188      0.31024567      4.18944996
  H     -0.60477001     -1.02497172      1.41423249
  O     -0.70889364     -6.02812737      3.24982781
  H     -3.27883732      0.53239538      4.72004443
  H     -3.61621509     -2.28724674      1.68650072
  O     -6.35699987     -1.53193949      4.28211269
  H      1.56613177     -4.03587497      4.70495859
  H     -3.04446280     -3.59873257      2.29292611
  O     -0.59061280      0.41075615      0.31311149
  H      1.50076163     -5.16665411      5.75709565
  H      1.97559800     -2.75057637      0.43407535
  O      0.29167022     -5.56814825      0.59151834
  H     -4.64688061     -3.37095185      6.09338988
  H      0.83372076     -2.76500893      1.48387552
  O     -0.41630853     -1.51714961     -1.80366806
  H     -4.43435386     -4.09910146      4.75767430
  H     -3.81798832     -0.38395917      2.89079093
  O     -1.51420200     -3.73013177     -0.71082703
  H     -0.46891399     -3.56010511      5.64118692
  H     -5.20603075     -1.05939672      2.89207768
  O      2.56897222     -2.95379365      3.79344027
  H     -0.87794675     -2.09226783      5.35525629
  H      2.84419397     -1.57110644     -1.73854288
  O     -0.60160602     -1.82778833      1.95392183
  H     -0.05869422     -5.62136294      3.83607702
  H      1.35528750     -1.53384924     -1.32790918
  O     -3.04730856     -3.04720219      1.49793349
  H     -0.37857249     -5.92542574      2.34962656
  H      2.31893697      0.09897507      2.89384692
  O      1.61724771     -3.25056908      1.17643215
  H     -7.30442682     -1.61783300      4.33971791
  H      3.04194686      0.55250137      4.18165532
  O     -4.45539824     -0.84428370      2.32501205
  H     -5.97787246     -2.36338081      4.61995713
  H      1.13907686      0.59482368      0.93807424
  O      2.26177909     -1.57710620     -0.98285696
  H     -0.68707252     -0.09982899     -0.49837751
  H      2.33997163     -0.22687277      0.48667633
  O      2.42466480     -0.09059158      3.84310298
  H     -1.44343772      0.81164317      0.54021174
  H     -5.18737174     -0.49479451      5.43179408
  O      2.04886026      0.37156516      1.18203367
  H      0.85389106     -4.80049767      0.79207411
  H     -4.10196108     -0.85435519      6.45992288
  O     -4.44352044     -0.12755594      5.92527085
  H      0.85221415     -6.22322242      0.18230095
  H     -2.31685704     -3.82107589      4.49114277
  O     -2.80571875     -4.40032916      3.89248003
  H     -0.81907610     -1.40378736     -2.66073210
  H     -2.18820794     -5.10538273      3.64796991
          69
 Energy    -248.35898810918536     
  O     12.84786129      9.57881789    -15.39881270
  H     12.36201530     10.11765120    -16.01684911
  H     16.40947903      4.79332932    -14.64638224
  O     11.34252924      9.08498344    -10.77368355
  H     12.20827747      9.28115456    -14.72510187
  H     14.62772499      8.50043265    -12.92595057
  O     15.78912668      6.31083716    -10.87941724
  H     11.14223856      8.18089002    -10.49750133
  H     14.68446907      7.31624636    -13.89052128
  O     14.82374668      2.15948549     -9.66712583
  H     12.11899328      9.33845792    -10.26230943
  H     11.19887331      8.98891800    -12.59365023
  O     13.71128387      9.53431482     -9.17532761
  H     15.35263360      6.75079239    -11.62582809
  H     11.29421327      7.71672702    -13.43620467
  O     15.78314406      3.72043981    -11.78768636
  H     15.86350639      5.37759446    -11.11691264
  H     17.13220098      7.45101391    -10.81384545
  O     12.59383465      2.16912356    -11.20887293
  H     15.04721503      1.28713766     -9.35355699
  H     18.43905096      8.06657403    -10.25927219
  O     15.02829163     10.25711025    -13.69785874
  H     14.01738986      2.06683593    -10.20827008
  H     17.57233355      9.49965191    -16.05028706
  O     13.33281146      4.06628771     -8.10135978
  H     13.69486468     10.23581688     -8.52910349
  H     17.41088770      8.53519799    -14.84780530
  O     10.95855346      3.63121416     -9.34700031
  H     14.40742596      9.76293914     -9.81608740
  H     13.80247735      7.68911004     -8.87803508
  O     11.34549645      6.30739189    -10.11840182
  H     15.61592774      3.13357476    -11.04068032
  H     14.56457686      6.54810346     -9.58563888
  O     17.09393075      4.94095599    -13.98447884
  H     14.97256324      3.72922606    -12.31882978
  H     16.44656973      9.54689141    -10.99019503
  O     14.52490551      7.54289521    -12.96656174
  H     12.76479665      2.64458793    -12.03206479
  H     15.47553194     10.34593058    -11.89889931
  O     11.19028273      8.67285652    -13.50915195
  H     11.92076590      2.66381365    -10.72525071
  H     17.81502820      6.58097128    -13.78431171
  O     17.77636465      8.16981583    -10.93781841
  H     14.22903345     10.20399967    -14.23719473
  H     18.08407956      7.73600875    -12.77674344
  O     16.92426144      9.10271932    -15.47581742
  H     15.75175817      9.98154756    -14.27684813
  H     12.92520380      6.68546403    -12.76918738
  O     13.85876635      6.72758205     -8.94779384
  H     13.97804475      3.49747575     -8.53866648
  H     11.79545660      6.14339014    -11.85570158
  O     15.65354518     10.09612454    -10.98275003
  H     13.60493450      4.98074436     -8.25467898
  H     15.50530675      7.96160681    -15.82455682
  O     18.10143884      7.50405656    -13.71124290
  H     11.76821901      3.75107435     -8.81684792
  H     13.96751830      8.10355892    -15.76312805
  O     12.14235301      6.11487309    -12.75844502
  H     10.31007274      3.23004105     -8.77436164
  H     14.70289647      5.65965623    -15.85201505
  O     14.68232557      7.45349840    -15.79868819
  H     12.20573933      6.43355688     -9.69133053
  H     14.80870034      4.32472214    -16.62021760
  O     14.79911624      4.69924502    -15.74233902
  H     11.04031696      5.42844238     -9.86420545
  H     12.92535264      4.58148639    -13.16606537
  O     13.47072002      3.80605019    -13.37095345
  H     16.81500968      4.43724427    -13.20941135
  H     13.85872946      3.97506580    -14.23695739
          69
 Energy    -248.35859405968188     
  O     19.33367516      9.20800200    -14.62118057
  H     19.66477579      8.30448738    -14.53706605
  H     19.90711343      5.47842981    -14.19636396
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  H     17.92637022      8.14414325     -7.71205388
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  H     18.12137839      6.34457687     -9.54064858
  H     13.45650514     11.51484541     -9.89957054
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  H     14.39511317      6.90221579    -12.07446612
  H     19.43578047      8.49369765     -9.87918876
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  H     16.58295370      5.60667492    -15.25831643
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  H     21.00925952      5.32007776    -11.36975708
  H     16.15445767      4.47433228    -14.25247789
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  H     19.73793946      4.79414656    -10.68523792
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  H     16.61683724      4.57481822    -10.50459990
  H     18.69849118      6.38240037    -15.79765470
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  H     12.59630966      9.07477482    -10.26704579
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  H     11.87093306      8.29035696    -11.37327303
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  H     20.70407726      6.66119750    -13.58310611
  H     17.61913003      8.33122689    -12.49515042
          69
 Energy    -248.35857072417232     
  O     -3.16809354      4.05139844      1.21222218
  H     -3.25293003      3.47560999      1.98947537
  H     -1.87734328     -2.06526781      2.72415873
  O     -3.09326217      2.12060585      3.21396614
  H     -3.69969190      4.82488032      1.38390493
  H      1.30134248      1.46987768      0.32270582
  O     -0.18269318     -0.23496839      4.99721146
  H     -2.62430537      2.23484853      4.05020756
  H      1.49938862      0.72062559      1.69315633
  O     -1.45609110     -3.09679089      1.34602220
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  H     -4.23247606     -1.43302834      1.31015420
  O     -0.89427122     -1.07670259     -2.67434313
  H     -0.58602061      0.58226928      5.30944167
  H     -3.20892631     -2.49184171      0.82919900
  O     -3.39631581     -0.65286269     -1.77161610
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  H      2.08914093     -2.36161733      4.40286386
  O     -2.89443055      1.87455725     -0.60656179
  H     -0.85595047     -2.63967998      0.73867811
  H      0.77156650     -1.88658149      5.04364343
  O     -0.62122136      1.74989633     -2.24689489
  H     -0.91440157     -3.71121828      1.85838459
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  O     -1.53856945      0.68125203      1.49628236
  H     -1.82052731     -0.98172232     -2.38363127
  H      1.67267333     -3.74578679      1.80422666
  O     -4.57413002     -0.26417406      2.93313452
  H     -3.42584865      0.26702930     -1.48128445
  H      1.71193678     -2.73263261      0.64610390
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  H     -3.68134177     -1.17934619     -1.01075866
  H     -1.40759676      2.81008794      6.26810271
  O      1.12731234      0.65124654      0.80296537
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  H     -0.65237724      2.69467023      4.92049763
  O     -4.00441842     -2.00749740      0.57236876
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  O      1.26233409     -2.67757026      4.78854580
  H     -0.60366985      0.81543555     -2.48313486
  H      0.36322392      3.52958289      3.05929865
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  H     -1.45945140      1.88806193     -1.78432907
  H      3.10284973     -2.18043197      2.50217764
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  H      0.69060054     -0.92685619      0.06400764
  H      4.40405544     -1.90126858      3.29118884
  O     -1.39174282      2.33013601      5.44476246
  H      0.00918258     -1.60901032     -1.15135089
  H      1.22079213      0.35095794      3.96696398
  O      0.63600557      3.15459092      3.91037879
  H     -0.60322979      0.74712122      1.26594942
  H      2.60178780     -0.05286302      3.39664185
  O      3.47639503     -1.68503563      3.25329943
  H     -1.64770082     -0.10850889      2.03820476
  H     -1.19245415      4.13797144      1.26482240
  O      1.95843675      0.66677810      3.42407877
  H     -4.20130678      0.62500532      3.03933842
  H      0.19949599      3.79691134      0.67495868
  O     -0.25399418      4.09199436      1.47379000
  H     -5.46134708     -0.23322152      3.28330741
  H      0.57868566      2.57890796     -1.34281443
  O      1.20637289      2.99225407     -0.72165636
  H     -2.98553583     -1.14959763      3.35036659
  H      1.85444173      3.45399413     -1.24608600
          69
 Energy    -248.35849459694225     
  O     -4.86079076     -1.28055586      0.09132427
  H     -4.70477145     -0.45345719      0.56141818
  H     -0.71783078     -2.45184413     -1.36636089
  O      1.96548208      1.78301108     -1.26780433
  H     -4.86000877     -1.97599584      0.76047467
  H     -1.84649325      0.40134147     -2.94198395
  O      1.79709074     -2.76423467      0.62602582
  H      2.40357428      2.54776776     -1.63167667
  H     -2.95254549     -0.64697494     -3.20447317
  O     -0.68395185      0.81613095     -1.54757774
  H      2.44756811      1.00382074     -1.59822193
  H      3.60860771     -1.15543304     -1.78650013
  O      1.75613626     -0.93028174      2.73497677
  H      1.88986259     -2.15362866      1.36772622
  H      2.62842691     -0.80468123     -2.91392405
  O      2.37780910     -4.19211064     -2.79432019
  H      2.63704172     -2.79633579      0.14920588
  H     -4.04093346     -1.80383368      3.20289250
  O     -4.06120790     -1.97699962     -2.38263579
  H      0.16179049      1.27965543     -1.56551349
  H     -2.67259420     -1.11562561      3.33291582
  O     -1.99047814     -3.67825532      1.30627907
  H     -0.46543634     -0.12414766     -1.43737623
  H     -3.66091107     -3.54498170      1.83537024
  O      1.32797453     -1.80684420     -3.74568762
  H      2.26748776     -0.78134790      3.52519747
  H     -5.01207705     -4.09486129      2.35097398
  O     -4.26387532      0.97001051      1.75357999
  H      1.65221756     -0.06588797      2.29587172
  H      0.88363557     -4.35853877      0.81206646
  O     -2.05236907     -3.69160924     -1.47923672
  H      2.04812323     -3.43544083     -3.30160039
  H      0.25696653     -5.42311142     -0.10575505
  O     -0.00342836     -1.80839215     -1.28727235
  H      1.59881806     -4.69846142     -2.53815360
  H     -0.79977807     -4.91506923     -1.93667039
  O     -2.36551491     -0.01924748     -3.64071977
  H     -4.37167191     -1.68044093     -1.50819085
  H     -0.38344833     -6.28687465     -2.50695453
  O      3.20847242     -0.41001139     -2.24652599
  H     -4.84012800     -2.16205918     -2.90151450
  H      3.48102894     -3.43828097     -1.69241200
  O     -3.61457880     -0.99707109      3.51786339
  H     -1.63981296     -2.84365505      1.65016689
  H      4.87718189     -3.30955460     -1.03674509
  O     -4.56372781     -3.29252701      2.09769858
  H     -1.24491835     -4.29353105      1.24108150
  H      1.57097515      1.55258953      0.56333909
  O      0.27432531     -5.11106407      0.80642474
  H      0.71896076     -1.53070850     -4.44343579
  H      0.28691933      1.44240842      1.41282584
  O     -0.05450237     -5.53180037     -2.02458472
  H      0.82790587     -1.80335849     -2.91611427
  H     -0.73055314     -0.48294887     -6.33690370
  O      4.00826310     -2.91864905     -1.05679568
  H     -4.85875753      1.62589729      2.10710497
  H     -1.26436551     -0.60349603     -4.90009925
  O      1.25071248      1.38477909      1.45837418
  H     -4.08375438      0.33491288      2.47035244
  H     -2.47789039      1.18797138      1.20779348
  O     -0.59407473     -0.94656146     -5.51527920
  H     -2.76568159     -3.16225573     -1.85775341
  H     -1.38077203      1.03655734      0.10012949
  O     -1.53287459      1.07520643      1.05586750
  H     -2.15399554     -3.68751383     -0.51596902
  H     -0.11609741     -1.27597354      2.65180420
  O     -1.04304637     -1.30945279      2.39217733
  H      0.60725510     -2.12282077     -0.60806821
  H     -1.20898862     -0.51184686      1.86801726
          69
 Energy    -248.35826099726151     
  O     16.22642511      9.96655977    -17.36703760
  H     16.58997784      9.51438128    -16.58925418
  H     19.06109462      6.24995757    -13.34351883
  O     16.06554556      5.51910479    -13.04922328
  H     15.33583421     10.22807348    -17.11035722
  H     20.90556612     10.68069622    -18.34092172
  O     18.29773557     14.51524653    -12.94808793
  H     16.12960841      5.56641228    -14.01585620
  H     19.54559645     10.96399916    -17.65463751
  O     20.02780219      8.97750544    -15.32996936
  H     16.94142511      5.74676664    -12.71949187
  H     16.97959581      7.69891073    -15.32167102
  O     16.16177449      6.10359324    -15.73703118
  H     18.09958082     13.81917544    -13.59925296
  H     18.19091771      8.68406917    -15.22156216
  O     17.71094114     11.48216765    -10.32884137
  H     18.26709802     15.34599698    -13.41529937
  H     14.25075283     11.03446534    -15.22648897
  O     15.70562224      9.14835710    -12.95777168
  H     20.19429753      9.44049275    -16.16053125
  H     13.02819284     11.03956461    -16.16692110
  O     17.77653393     12.35627069    -14.54683637
  H     20.04483533      9.62503540    -14.61185559
  H     18.38917039      8.04388212    -11.81408355
  O     19.61312831      6.26222571    -15.01428148
  H     15.35161773      6.58032285    -15.97456846
  H     17.20916202      9.02448958    -11.99321131
  O     13.86058819      7.06094783    -12.90625751
  H     16.70287533      5.93961935    -16.51779743
  H     13.71572527      7.46005252    -14.79674167
  O     18.24179760      5.87176424    -17.57888097
  H     17.83814199     10.56237046    -10.59078301
  H     13.82941428      8.60623388    -15.82130529
  O     18.76351236      6.29603688    -12.41789175
  H     18.53460629     11.92977209    -10.55391904
  H     20.68212585     13.36367002    -10.99913444
  O     20.22676461     10.28251866    -17.80353153
  H     16.21716926      8.94138554    -13.75723630
  H     19.45825808     13.55345692    -11.92414896
  O     17.23048883      8.61946123    -15.16135641
  H     15.01702027      8.47908042    -12.86664481
  H     19.10097983     10.06738223    -12.64803744
  O     13.84056161     10.57581458    -15.97825517
  H     18.36148075     11.70800735    -14.13104212
  H     19.90723123     11.39414162    -12.62188183
  O     18.10892171      8.95066673    -11.64025675
  H     16.86547826     12.09350586    -14.35752048
  H     16.62927948     13.84437775    -11.97656574
  O     13.87932337      7.64852623    -15.73010872
  H     19.19069957      6.01056212    -15.84233868
  H     16.44846858     12.57861458    -11.13076048
  O     19.99858822     12.88948083    -11.46606855
  H     19.93272437      7.16707564    -15.14597927
  H     18.96765709      8.96857002    -18.43884683
  O     19.59351776     10.69149132    -13.20286791
  H     14.61034312      6.43738504    -12.88152916
  H     17.43195538      8.89595331    -18.36510066
  O     15.96587870     13.21320114    -11.68241816
  H     13.20256078      6.72764996    -12.30310500
  H     15.27214929     12.28797493    -13.06029978
  O     18.21749042      8.38414789    -18.59930128
  H     18.46494419      5.25284402    -18.26887625
  H     15.29088835     10.78363635    -13.42613586
  O     15.15299051     11.66980641    -13.79635833
  H     18.25596878      6.75720681    -17.98339323
  H     18.09731521     12.22946645    -16.36515154
  O     18.18606383     11.96183619    -17.28904357
  H     19.31621540      5.69106736    -11.92859605
  H     17.43921884     11.36786489    -17.44922597
          69
 Energy    -248.35795865257131     
  O     13.06055310      9.38293899    -16.59715392
  H     12.82242938      9.27395866    -15.65866687
  H     16.87005294      4.23424053    -15.50010170
  O     16.61290497      5.73014128    -12.80619558
  H     12.26070472      9.62714061    -17.05473319
  H     20.18927472      8.34869007    -12.82844418
  O     20.24960502     10.23533522    -13.20725936
  H     16.54177861      4.94927760    -13.36732738
  H     19.61257842      7.12127692    -12.07799288
  O     19.98019424      9.76614080    -15.96797786
  H     16.63906244      6.48904320    -13.41057232
  H     16.92352687      9.94811905    -17.35965308
  O     13.83232434      5.08185467    -15.04584666
  H     19.42986542     10.53313895    -12.77177087
  H     18.41384228      9.61408055    -17.10782500
  O     16.11030847     10.51574508     -9.93782455
  H     20.96363947     10.71663681    -12.79722080
  H     17.57035640      7.53184587    -15.02993260
  O     14.44269026      6.88301315    -11.47230120
  H     20.72883784     10.18608603    -16.38632581
  H     16.03823410      7.51753989    -15.35984106
  O     16.05097938     10.27566483    -13.94211917
  H     20.03996454      9.97885790    -15.02376571
  H     12.31121387      8.02164756    -13.73517387
  O     17.78908197      5.12566782    -16.67798506
  H     14.61449726      4.52833548    -14.94792231
  H     12.94740051      9.34530203    -13.27222600
  O     16.33514442      7.83831567     -9.59030620
  H     14.08683419      5.78028354    -15.66649982
  H     12.82190520      5.76096312    -13.82906557
  O     19.32737095      7.06185895    -15.41625953
  H     15.97630171     10.95203477     -9.10073543
  H     11.49135309      5.70255305    -13.03924583
  O     16.37004918      3.77399141    -14.80145219
  H     16.23998895      9.56991434     -9.74341380
  H     18.73111349      5.51834935    -10.40931448
  O     20.15012582      7.38447868    -12.83357592
  H     13.62891939      6.61246518    -11.91550985
  H     17.79484217      6.03149558    -11.52833612
  O     17.66064169      9.39630203    -17.66452547
  H     15.15954852      6.42136327    -11.92944612
  H     17.44101050     10.90060387    -11.27334813
  O     16.69084590      7.71254168    -14.67378491
  H     15.34538701     10.14472333    -13.29574033
  H     17.31812471     10.85527146    -12.80226361
  O     12.45157470      8.94049130    -13.99473732
  H     16.33659223      9.38700196    -14.20356088
  H     17.12949992      7.88433706    -18.27106946
  O     12.29152086      6.20960471    -13.14506616
  H     17.42661115      5.65415094    -17.39806903
  H     16.79014091      7.02700586    -19.51409413
  O     18.40898291      6.31368528    -10.82804778
  H     18.45364915      5.69104447    -16.25858480
  H     14.32735956      8.70748412    -11.76603474
  O     17.95033757     11.00573416    -12.08359821
  H     15.59183837      7.44658438    -10.06799319
  H     14.74378961     10.08932437    -11.21637546
  O     16.75068356      7.03347086    -18.56201098
  H     17.12286803      7.38429174     -9.91347380
  H     15.73360998     10.80534996    -15.67911668
  O     14.23242170      9.66016893    -11.91268528
  H     19.63147930      7.90157920    -15.77876904
  H     14.66242635     10.44364629    -16.71158107
  O     15.54418312     10.82362659    -16.62805449
  H     19.65595620      7.02916171    -14.50419891
  H     14.17464169      7.92779310    -16.71919055
  O     14.75094893      7.15802724    -16.62715969
  H     16.55812677      2.84482885    -14.90079376
  H     15.32722581      7.11026206    -17.40057725
          69
 Energy    -248.35786433915433     
  O     -3.80116917     -2.94586949      0.66057566
  H     -3.78711134     -3.79057240      1.12530913
  H     -0.47102281     -6.20998343      1.80695952
  O     -1.25474271      2.38945422      5.45638740
  H     -2.92562350     -2.85754195      0.25610027
  H      2.29149903     -2.96540916      5.36927937
  O     -1.72333194      0.68001856      2.11999137
  H     -0.58869000      1.79720527      5.08307785
  H      2.63284984     -2.34445662      3.99594832
  O      0.95021762     -2.92820580      6.70877404
  H     -1.80009568      1.83539381      6.02803606
  H     -0.63783625     -3.10782132      1.61328227
  O     -3.01730935      0.46842484      6.71131484
  H     -2.12092420      1.52366820      2.36753056
  H      0.09867647     -4.09081791      2.59573760
  O     -1.25419616     -1.51234792      5.87683553
  H     -2.38804833     -0.00350429      2.28521814
  H      4.26675782     -5.60800664      3.38313993
  O     -0.43571723     -5.15555041      5.55071296
  H      0.19242592     -2.36073231      6.49183988
  H      3.32947315     -4.43038501      3.75391698
  O     -4.45271174      0.84303461      4.45568032
  H      1.15367654     -2.77482336      7.62867482
  H     -3.83307994     -1.72115146      1.95048842
  O      0.17172731     -0.35213519      0.32804794
  H     -3.56075410      0.59602911      7.48413245
  H     -3.28629352     -1.91818630      3.36791781
  O      0.69876012     -5.78496389      3.12305295
  H     -3.59679542      0.58617420      5.93623986
  H      3.00784993     -4.21643709      1.57471153
  O     -3.39646013     -5.29426873      2.31422531
  H     -1.76228672     -2.16951696      5.38350702
  H      2.52391522     -2.78142407      1.31497485
  O     -1.10710708     -6.13021762      1.08017187
  H     -1.87789727     -0.87025486      6.24205972
  H     -0.27767870     -0.37318839      4.73819770
  O      2.92159941     -3.00291871      4.64017334
  H      0.08449881     -4.49622028      6.02676525
  H     -0.48491535      0.42251567      3.42654662
  O     -0.28535024     -3.20760368      2.50867621
  H     -1.22672746     -4.69630883      5.24819321
  H      1.40685765     -0.66388614      3.15103788
  O      3.44513049     -5.18601956      3.14877337
  H     -4.33337363      0.10922842      3.83692699
  H      1.03425571     -2.03990303      2.57844300
  O     -3.63814382     -1.24733962      2.77367253
  H     -4.09103338      1.62351076      4.01811991
  H      1.11467342     -5.02160620     -1.54570950
  O      2.63285591     -3.64099892      0.89549477
  H      0.87919489     -0.55531428      0.94817313
  H      1.41567370     -4.36215115     -0.18198542
  O      0.13930199      0.27316947      4.15351674
  H     -0.49863257      0.11780566      0.84531407
  H     -2.28049243      2.87911410      4.09622737
  O      1.75093504     -1.38274573      2.60303407
  H      1.66003952     -5.71809854      3.15002612
  H     -2.96447715      3.88386829      3.13591588
  O      0.70536121     -4.73267064     -0.73411275
  H      0.36585886     -5.69113601      4.02794075
  H     -1.60579372     -3.27190133      3.62608200
  O     -2.87257596      2.95456097      3.32684231
  H     -2.60280357     -5.60589820      1.84358878
  H     -2.89788656     -4.10005484      3.68780878
  O     -2.39366473     -3.43467348      4.17476744
  H     -4.00534792     -6.02837646      2.33178379
  H     -0.53686533     -3.37182301     -0.51177592
  O     -1.13039744     -2.72359843     -0.11343263
  H     -0.60278288     -5.75244459      0.35196540
  H     -0.68014600     -1.86502577     -0.11248863
          69
 Energy    -248.35768451142548     
  O     14.05583640      3.33199055    -10.73382683
  H     13.96068819      2.39232975    -10.53526849
  H     17.33585536      4.62005565    -15.48526973
  O     12.26750752      3.99990917    -12.78193499
  H     13.45203020      3.52210596    -11.46722107
  H     15.49829537      9.95520274    -10.64394018
  O     16.73531835      3.29043184    -11.72124835
  H     11.87194662      4.82134060    -12.47309037
  H     14.61953317      9.10970459     -9.71300697
  O     18.91641036      6.84216604    -13.72353960
  H     12.92593391      4.26181125    -13.44746084
  H     14.65576740      7.26459728    -12.38042312
  O     12.83297677      1.23489149    -13.24227658
  H     17.20091001      4.11400626    -11.52692647
  H     14.65528396      6.16629351    -11.30568842
  O     13.86901347      0.54545002    -10.64075950
  H     15.83976625      3.38025909    -11.36795286
  H     13.70365141      4.90300668     -9.94084900
  O     17.33359976      9.21028510    -13.45900647
  H     19.86718365      6.85232143    -13.64152154
  H     12.78718493      6.10264255    -10.34691041
  O     17.33659187     10.15242959    -10.94080589
  H     18.56889784      6.46432070    -12.89840761
  H     14.29300466      0.90616486    -14.18215035
  O     14.32063929      4.86621152    -14.30409821
  H     13.02096475      0.93144900    -12.34522973
  H     15.00707157      0.06809914    -15.26818462
  O     14.88755047      9.23279393    -14.94511283
  H     12.45615645      2.11895775    -13.15459100
  H     12.19814665      7.33342036    -12.13993149
  O     15.20140068      6.84460209    -16.10153610
  H     14.75116242      0.43617346    -11.04078301
  H     10.76796334      7.03230527    -11.64740655
  O     17.59585740      5.47228449    -15.85795931
  H     13.74885562     -0.17691905    -10.03116944
  H     16.79131160      6.12690492    -11.79450122
  O     14.58344259      9.68944900    -10.48304787
  H     17.85074560      8.42592808    -13.67673533
  H     17.79681369      6.47157827    -10.68014596
  O     15.07446692      6.43037094    -12.13371171
  H     16.54491974      9.20324110    -14.01315723
  H     16.67924834      3.22596494    -13.56464061
  O     13.54384529      5.84818127     -9.80208671
  H     17.84735059     10.95683901    -10.91567702
  H     16.12214657      2.30925553    -14.68007182
  O     15.15939366      0.71103241    -14.58066262
  H     17.36276039      9.83171854    -11.86070852
  H     16.61960303      1.39442204    -11.80322700
  O     11.63546853      6.64621407    -11.74368930
  H     15.04050193      4.24827425    -14.48906468
  H     16.01301172      0.45745991    -12.86662064
  O     17.67744850      5.91362623    -11.46210184
  H     14.62603238      5.42335120    -13.57250422
  H     14.40855200      7.03573613     -8.81183259
  O     16.51401397      3.17643376    -14.51709579
  H     14.99080826      8.38478219    -15.41610184
  H     14.64302617      7.76439765     -7.47007661
  O     16.25184676      0.50957110    -11.93242628
  H     14.75685016      9.90224268    -15.61129424
  H     17.60254804      8.59108851     -9.89701345
  O     14.90531037      7.75478114     -8.38735966
  H     14.68590209      6.18290985    -15.62485082
  H     16.74312181      7.70655619     -8.98294784
  O     17.59859443      7.74679967     -9.42686958
  H     16.08720453      6.45779049    -16.16268292
  H     13.80972387      8.90127245    -13.47173061
  O     13.39445513      8.57998617    -12.66156049
  H     18.10650572      5.91814513    -15.17122104
  H     13.75506002      9.08061754    -11.91064694
          69
 Energy    -248.35765221314131     
  O     -8.11374324     -2.00904831      6.06971343
  H     -7.30369824     -1.58707753      6.37267183
  H     -3.02631024      1.50673816      2.25836539
  O     -9.53421358     -2.60892081      1.81570416
  H     -8.81717349     -1.34436094      6.10710605
  H     -7.07657442     -0.53329372      3.38028758
  O     -8.16709998     -3.78177878      4.05014231
  H     -9.18062509     -3.12467373      2.55069873
  H     -7.30571378      0.71480216      4.29596780
  O     -5.38668640      0.66151088      0.23029415
  H     -9.96561803     -1.84627082      2.22439876
  H     -5.07948102     -0.84703541      5.94288964
  O     -6.76361494      1.65022497      5.83427613
  H     -8.21230834     -4.66836492      4.39657890
  H     -5.08362984     -0.97614108      7.48645246
  O     -5.10794231      5.20733890      0.66560764
  H     -8.19704391     -3.17834601      4.81569296
  H     -0.89815083      2.89145686      1.62487506
  O    -10.56909291      2.13112637      1.50403490
  H     -5.65549151     -0.23915598      0.03093625
  H     -2.23882228      3.53706040      2.05803833
  O    -10.12261126     -0.08953858      5.91665126
  H     -6.21463495      1.11768454      0.44472297
  H     -9.51724015      3.38060248      4.37261832
  O     -4.29782135     -1.04312719      4.42298835
  H     -6.09312066      2.15501088      5.35147063
  H     -8.69401144      3.95951248      3.19034577
  O     -3.90167139      3.01401309     -0.39351424
  H     -6.33425309      0.89941176      6.26457142
  H     -6.59052543     -1.96793411      1.93959760
  O    -10.29131284     -0.21409810      3.10398708
  H     -4.70379149      4.44528094      0.21300254
  H     -6.85098170     -2.80056703      3.22711219
  O     -3.80044760      1.01881203      2.56676339
  H     -5.12787571      5.92400012      0.03700925
  H     -8.24100316     -1.92335423      0.77255294
  O     -7.55226174      0.30327342      3.46085904
  H    -11.32418423      2.52183339      1.07367358
  H     -7.79527582     -0.49793249      0.43119728
  O     -5.61367742     -0.69757825      6.74481333
  H    -10.30473009      2.73511601      2.22319773
  H     -9.36718351      3.16511616      6.90347245
  O     -1.84424146      2.78602969      1.57916496
  H     -9.95150586      0.85101173      6.03671413
  H     -8.35248800      2.34099448      6.07615964
  O     -9.58175923      3.69451065      3.46197278
  H    -10.41645458     -0.18294793      5.00081480
  H     -3.82165495      4.26151400      3.45360027
  O     -6.26900972     -2.13511935      2.83545434
  H     -4.88656722     -1.56762801      3.86101432
  H     -3.85447812      5.07876819      2.15092423
  O     -7.49422842     -1.41088455      0.41900693
  H     -3.98105041     -0.32992504      3.85552747
  H     -4.67123417      2.25857177      3.59702998
  O     -9.26765403      2.67139486      6.09288146
  H     -3.10088458      2.89971108      0.13430371
  H     -5.79734350      3.32900447      3.51435760
  O     -3.25943948      4.74387006      2.83319673
  H     -4.36779226      2.16985809     -0.35441702
  H     -7.72524716      1.11331975      1.94242350
  O     -5.10587419      2.96994158      4.08976698
  H    -10.55521887      0.53287944      2.55489219
  H     -8.81703104      1.73145503      1.02336583
  O     -7.87380329      1.53165770      1.07555310
  H     -9.35401100     -0.07540934      3.31049963
  H     -6.43601050      4.47196754      1.71093503
  O     -7.00044203      3.94057609      2.28793314
  H     -4.33173853      0.81817907      1.78555071
  H     -7.28600606      3.17423234      1.77361057
          69
 Energy    -248.35759094185096     
  O     16.09942053     10.17117741    -16.74769059
  H     16.14014348      9.62976899    -17.54451122
  H     20.88860273     10.83023984    -16.90170905
  O     16.11458866      5.23346115    -13.19772404
  H     15.17813370     10.22203511    -16.45160082
  H     16.77146565      9.00716361    -15.51299790
  O     19.73073080      8.79804778    -14.21956497
  H     16.42121983      5.25632383    -14.11637042
  H     16.37325298      8.25179660    -14.21342796
  O     14.89672107      6.57262034    -17.24394143
  H     15.55929437      6.01174920    -13.08668300
  H     13.34673508      9.22964294    -15.52535339
  O     16.15540142     10.21395072     -9.42042499
  H     18.79790359      8.62786960    -14.43067712
  H     13.83905261     10.43702695    -14.70176264
  O     14.91995481      7.92194799    -13.09380262
  H     20.08134511      9.30814898    -14.95865934
  H     17.47728338      7.17689821    -11.15973047
  O     17.16778723     11.83776427    -13.01691143
  H     15.33270337      7.16203067    -17.87028694
  H     16.22946846      7.93159235    -11.68292144
  O     20.17543930      6.10229747    -13.77270771
  H     15.61624615      6.10188462    -16.79999616
  H     13.80542907      7.04405891    -15.98888785
  O     19.80468108      5.57738608    -16.40666028
  H     16.84990963     10.86731290     -9.57436182
  H     12.43816780      6.82652127    -15.29821255
  O     17.08425081      5.74018662    -15.75581038
  H     16.44901418      9.39759530     -9.84204803
  H     18.63316651     11.29592448    -10.73108634
  O     18.29715867      5.55962801    -11.63202934
  H     14.77470997      8.87450265    -12.97519105
  H     18.97302159     12.39669818     -9.70778193
  O     20.20388748     10.27987643    -16.53205571
  H     14.29449910      7.64410354    -13.77885817
  H     19.32650659      9.55814529    -12.64825126
  O     17.08679793      8.37866774    -14.84898530
  H     17.72813083     11.08134019    -12.78721532
  H     18.23337822      9.22993010    -11.59149905
  O     13.62151935     10.15085424    -15.60010742
  H     17.23915166     12.41580619    -12.25364222
  H     13.14800822     11.28623010     -9.77372327
  O     16.98982884      8.00857656    -11.09388442
  H     20.15338658      7.06735146    -13.85185450
  H     14.59108971     10.79888216    -10.00495133
  O     13.25470194      7.31438225    -15.23216969
  H     19.60454771      5.88383211    -13.02822615
  H     19.35206489      7.19989372    -17.35218248
  O     18.24825951     12.00581904    -10.18978031
  H     19.99377343      5.71133728    -15.46035607
  H     19.46092891      8.74592056    -17.40752966
  O     18.84945362      9.91493542    -11.88747622
  H     20.41518762      4.91452480    -16.71751059
  H     15.45331897     11.09875704    -13.06890836
  O     13.78852837     11.11122535    -10.45695803
  H     17.96825604      5.50330456    -16.05746785
  H     14.22016639     10.86181706    -12.14555898
  O     19.02095247      7.98451398    -17.80438485
  H     17.13353707      6.67607642    -15.50507907
  H     17.80741268     11.95342234    -14.84311885
  O     14.60921441     10.63544465    -13.00384318
  H     18.42510936      4.83278468    -11.02733228
  H     17.35516907     11.33295579    -16.17811862
  O     18.09905520     11.77756674    -15.74421175
  H     17.52390609      5.33648183    -12.18136968
  H     17.42607574      8.16219248    -18.48893964
  O     16.52072972      8.32110283    -18.81256321
  H     19.47701539     10.87416199    -16.26854624
  H     16.58034885      8.41858168    -19.75909307
          69
 Energy    -248.35742251985840     
  O     -4.58064164      4.23334383      2.90188454
  H     -5.23538353      4.43654412      3.56479752
  H      1.74104768      2.82114300      3.73553676
  O     -3.06621283     -2.39405356      1.11104415
  H     -3.74415038      4.63302295      3.20031877
  H     -4.38050128      4.76809086     -1.14734526
  O     -1.49480964      4.42907174     -1.87269230
  H     -3.68758969     -3.09976495      1.26851848
  H     -5.00670127      4.70086299     -2.56278844
  O     -3.65219137      1.78278478     -0.94530564
  H     -3.38925322     -1.90382070      0.33327036
  H     -0.89522620     -1.59944297     -1.72488194
  O      1.93034003     -0.28843970      3.98279812
  H     -1.21694131      3.51367194     -2.00038127
  H     -0.95579089     -1.66662786     -3.26944580
  O      1.12111639      5.39275564      1.86759237
  H     -2.43764918      4.44115774     -2.07887124
  H     -0.36271367      3.27390314      2.97958663
  O     -1.11027462      2.93448849      1.38616023
  H     -2.72176063      1.73869193     -1.21090972
  H     -0.27108985      2.67049135      4.38914878
  O     -0.55867329      0.93125542      4.81915611
  H     -4.01838001      2.57373810     -1.35916050
  H     -3.76532420      1.82266790      0.85068614
  O     -3.73626824     -1.01871821     -1.13402026
  H      2.36418812     -1.10092456      4.22918197
  H     -4.06194371      2.59686472      2.18726179
  O     -2.06672393     -0.28178666      2.69203601
  H      1.49580907     -0.44889342      3.12731633
  H     -1.83574968      5.67562146      2.61011130
  O      0.52453521     -0.49379611      1.64375355
  H      1.80753331      4.83051368      1.48599407
  H     -1.46591256      4.76939213      3.80051317
  O      2.57977772      2.42110654      3.47392479
  H      0.92429721      5.00853138      2.72730824
  H     -1.04866321      0.69625866     -2.22339954
  O     -4.37195946      4.27926423     -1.99051150
  H     -1.97470618      2.53495176      1.53924623
  H     -0.24452501      1.61749061     -1.27790547
  O     -1.22683824     -1.14391996     -2.51951914
  H     -1.25565694      3.83093840      1.05819411
  H     -4.41715474      5.12825509      1.22279135
  O     -0.05501292      3.46658504      3.87954533
  H      0.28456954      0.47130150      4.72818018
  H     -3.19269337      5.71237854      0.48675964
  O     -3.61193210      1.83223427      1.80753554
  H     -1.16622293      0.47299849      4.22430396
  H      1.72958203      2.29806681      0.25402227
  O     -2.16033443      5.34500942      3.45435912
  H     -3.89200746     -0.06690850     -1.07956353
  H      0.21547676      2.18788505      0.56890739
  O     -1.00139145      1.59750773     -1.88048505
  H     -2.98362632     -1.12010665     -1.72998028
  H     -0.00355456     -1.80313737      0.41124102
  O     -4.13610656      5.52712389      0.39117629
  H     -2.66555248      0.43900363      2.44980660
  H     -1.34124917     -2.54301797      0.26752618
  O      0.94619008      1.76093020      0.08964312
  H     -2.42760000     -1.07558053      2.27712413
  H      3.94381871      3.57659690      0.82529810
  O     -0.51332043     -2.35829046     -0.19325184
  H      0.74522423      0.25442894      1.07154464
  H      2.96785588      3.03862767      1.90302962
  O      3.02073485      3.42538394      1.00922050
  H     -0.37222018     -0.35261920      1.98269360
  H     -1.26115490      5.31111914     -0.33431429
  O     -1.29502255      5.62119290      0.58611883
  H      2.49835511      1.48411188      3.69020336
  H     -0.38603292      5.69122123      0.91522853
          69
 Energy    -248.35725900542843     
  O     19.82731414     13.98884994    -16.67916087
  H     20.52553462     13.33464980    -16.79757018
  H     16.91279151     12.30892267    -10.03214976
  O     20.52276472      8.69097770    -13.38774309
  H     20.13240698     14.58072371    -15.97965662
  H     21.71990069     16.63064604    -11.58511763
  O     18.81168163     14.49353620    -10.56753433
  H     21.09824245      8.01050094    -13.04755785
  H     22.33497163     17.80033239    -12.38939333
  O     15.71043932     14.37732038    -12.56506685
  H     20.90254260      9.54426349    -13.10996679
  H     19.94053777     13.07666089    -10.44868221
  O     18.04112019     10.95163250    -10.11376884
  H     18.69647979     14.60452436    -11.52267144
  H     21.36922980     12.69332066    -10.00397815
  O     20.59883057      9.76749534    -16.07623005
  H     17.96634147     14.16850848    -10.23633522
  H     16.56413425      9.58637134    -13.81613553
  O     22.45961913     13.17935958    -14.26879428
  H     15.49802444     13.72401789    -13.24927149
  H     15.28506015      9.04649788    -14.49652044
  O     21.12146792     15.98406659    -10.07949387
  H     15.80077382     13.89845383    -11.73352847
  H     22.47637831     11.84499273    -17.53128069
  O     21.32008783     11.20434661    -12.74182004
  H     18.95428145     11.26490783    -10.09297343
  H     21.50319569     11.17921968    -16.53056525
  O     15.44678127     12.58657185    -14.68061201
  H     17.96472597     10.38223611    -10.88887744
  H     23.32148405     15.37749231    -12.27769243
  O     17.99746749     10.65232941    -16.28525937
  H     20.60010875      9.28899345    -15.24070283
  H     23.46194396     13.97856514    -12.89969741
  O     16.39714986     13.13371656    -10.01089181
  H     19.67119642      9.96970366    -16.26892519
  H     21.17006737     15.97103457    -13.77789170
  O     22.11955949     16.87299613    -12.43995074
  H     21.83990909     13.92468440    -14.28303919
  H     19.84093251     15.18306206    -13.95888609
  O     20.54660592     12.32696818    -10.35295825
  H     22.43211091     12.78325868    -15.14842767
  H     23.24345935     13.95429880    -10.54505380
  O     15.96226784      9.71444497    -14.56745296
  H     21.71336171     15.28509121     -9.77739233
  H     23.61859357     13.63900535     -9.07739619
  O     21.93972832     12.01806236    -16.76223111
  H     20.24734057     15.57625133    -10.15320724
  H     18.73507842      9.14533969    -12.85855853
  O     23.71819854     14.50891126    -12.13409802
  H     21.08025965     11.57775468    -11.88138244
  H     18.15528990     10.56567727    -12.97095792
  O     20.71412718     15.34287822    -14.35044599
  H     21.83282483     11.86558741    -13.22651312
  H     19.77389075     11.73675553    -13.61806309
  O     22.87816224     13.72372945     -9.67175311
  H     15.53507040     11.62928166    -14.62647230
  H     18.71195283     11.59116833    -14.75768600
  O     17.95138389      9.67075779    -12.65409882
  H     16.02539933     12.86941704    -15.39888310
  H     16.82792840     13.72903867    -17.62058284
  O     18.87238538     11.96307975    -13.88222481
  H     17.25413036     10.24134321    -15.82603988
  H     18.13632574     13.57647528    -16.81439970
  O     17.22664761     13.24079392    -16.90489282
  H     17.67929081     11.48629069    -16.65749721
  H     17.37830180     14.68623188    -13.10072116
  O     18.32523901     14.59073585    -13.28012959
  H     15.83397335     13.08295938     -9.24277999
  H     18.46461016     13.66276175    -13.52233225
          69
 Energy    -248.35706468953532     
  O     -3.72562433     -1.67249507      6.85969120
  H     -4.33752618     -1.17727704      6.29858526
  H      1.81592971     -1.57648746      2.65835810
  O     -3.77680302      0.25410940      3.00746513
  H     -4.03398867     -2.58670558      6.84227589
  H     -1.41037730     -2.15091605      0.70552755
  O      1.37902093     -2.27851704      5.75397131
  H     -3.94007975     -0.19629458      2.16446530
  H     -0.15529090     -2.60583516      1.52176626
  O     -4.39332486     -4.41801675      6.31654635
  H     -2.82397341      0.24508626      3.14480010
  H     -3.52929173     -4.35556584      2.02103998
  O     -1.31459237     -1.82629867      5.61270885
  H      1.73846337     -2.13488062      6.62620715
  H     -2.09656507     -3.75592255      2.05693212
  O      0.78582608     -4.87190672      4.64325588
  H      0.42388361     -2.10246828      5.81424029
  H      1.72795099     -2.81048530      0.49235981
  O     -5.81909358     -3.13817429      4.19259850
  H     -4.54162186     -5.18527964      6.86302664
  H      1.72632481     -3.84490920      1.66598856
  O      0.71768855      0.81650265      1.18987605
  H     -3.53846045     -4.55073189      5.87319426
  H     -5.47188273     -3.50726765      2.54864064
  O      1.56689466     -5.61801112      2.17192508
  H     -1.33792275     -1.22648915      4.85695723
  H     -5.95742186     -4.15439936      1.23003931
  O     -0.79367534     -4.22113929     -1.76298709
  H     -2.11882693     -1.68401803      6.13408206
  H      0.79967719     -3.19304987     -1.52377256
  O     -0.75387032     -5.69959661      0.50620592
  H     -0.16383003     -4.89322964      4.81752230
  H      1.17473834     -1.70270375     -1.39689219
  O      1.76643548     -0.85015745      3.29991578
  H      1.10833247     -4.04628889      5.02256290
  H     -0.03732823     -0.31465781      3.42036500
  O     -1.09492529     -2.38892449      1.58710606
  H     -5.42042168     -3.63489149      4.91668785
  H     -1.18036326     -1.02250874      2.68678835
  O     -2.61694744     -4.54701354      2.27125856
  H     -5.77300110     -2.20773461      4.44769963
  H      0.45124144      0.30190101     -0.47805504
  O      1.64521478     -2.90742297      1.45318305
  H      1.35821756      0.39989018      1.77963780
  H      0.39558430      0.69461143     -1.97064026
  O     -5.20981222     -3.72285781      1.63473151
  H     -0.10220970      0.80196444      1.69422385
  H     -1.64932370     -2.61888793     -1.35358086
  O      1.51000064     -2.59677825     -1.25450810
  H      1.29339730     -5.40713022      3.08308479
  H     -1.27704493     -1.11579097     -1.21261254
  O     -0.99599360     -0.28561951      3.29378113
  H      2.25206487     -6.27797431      2.23544120
  H     -6.10141521      0.24540527      5.09701705
  O      0.24665774     -0.03039511     -1.36893931
  H     -0.78127226     -4.77761763     -0.96357632
  H     -4.85609209     -0.15467273      4.27120387
  O     -1.94783574     -1.77449914     -0.98859065
  H     -0.94193217     -4.80677339     -2.50061281
  H     -1.77629635     -3.54499980      5.12033346
  O     -5.45323893     -0.44436946      4.98521461
  H     -1.46395526     -5.45929306      1.11630824
  H     -2.24940165     -4.55586641      4.02207032
  O     -2.00416396     -4.47176648      4.95600203
  H      0.04681228     -5.76137670      1.04067716
  H     -3.53417836     -1.37080885      0.00291903
  O     -4.18439515     -1.20600614      0.69593939
  H      1.81051596     -1.26741001      4.16815661
  H     -4.55095273     -2.06485015      0.93944403
          69
 Energy    -248.35705523439464     
  O     13.89288302     10.19643830    -16.09735847
  H     14.13563768     10.04323740    -17.01773316
  H     16.52441568      9.42077966    -17.59948440
  O     17.83436423      6.63744788    -11.83085393
  H     13.42889389      9.39856634    -15.80135244
  H     16.83297484      7.66061679    -16.09266507
  O     19.08755973      7.33416685    -17.78930121
  H     18.70326555      6.75984913    -12.23672616
  H     16.43934561      7.37002390    -14.62451765
  O     17.31170437      5.64486535    -19.26835301
  H     17.25491251      7.31514058    -12.20944358
  H     13.15558733      7.02769204    -15.68248528
  O     13.59653508      6.28826517     -9.97581217
  H     18.51549496      6.77812580    -18.33308296
  H     12.94422300      7.65193990    -14.29749055
  O     14.29412686      4.51473982    -13.64958674
  H     18.57013411      8.11810858    -17.56330778
  H     16.65766654      2.16467302    -10.45457908
  O     16.10900772      8.33364678    -13.11950532
  H     17.49981409      5.22913745    -20.10623695
  H     16.52930744      3.30039786    -11.49482064
  O     18.16720818      4.68452232    -15.40032743
  H     17.04339585      4.93476970    -18.65820750
  H     14.16478306      5.02554636    -15.41370133
  O     13.44254357      3.65366171    -11.18080395
  H     14.54741545      6.13644240     -9.82795230
  H     15.12873257      6.06593200    -16.01772793
  O     16.44329898      3.85418941    -17.42614593
  H     13.23578761      6.60241507     -9.15132114
  H     20.32960222      6.75048364    -14.13730386
  O     20.55759723      6.10845009    -15.87871342
  H     15.23927995      4.41321204    -13.47344595
  H     20.88070782      7.70975080    -13.07652364
  O     17.23182208      9.27079614    -16.95729379
  H     13.83866044      4.11324564    -12.89527062
  H     17.28371202      5.06657962    -12.52145461
  O     16.59035348      6.95340956    -15.48303109
  H     15.20650983      8.03376789    -12.93714199
  H     17.47946345      4.19682490    -13.78385076
  O     12.81022294      7.81017756    -15.24117400
  H     16.07668676      9.19379694    -13.55561966
  H     16.28339775      4.73385889     -9.86090462
  O     16.19015090      2.97407542    -10.64385582
  H     19.07534715      4.96884105    -15.54765481
  H     16.86992176      6.08679166    -10.31594522
  O     14.36227034      5.50727650    -16.22949316
  H     17.63314312      5.49567910    -15.43389930
  H     15.63073766      6.46362793    -18.97926308
  O     20.20198794      7.05511600    -13.22785993
  H     14.29567650      3.29736228    -10.90110423
  H     14.46577330      6.33626470    -17.97250995
  O     17.00820033      4.23831767    -12.94225718
  H     13.34260528      4.48823463    -10.70643254
  H     13.89807155      6.20529380    -13.03361090
  O     16.23264648      5.68587343     -9.70991228
  H     15.61768945      4.20034980    -17.06845203
  H     13.55174074      6.93304317    -11.71804617
  O     14.78872404      6.85709055    -18.71688484
  H     17.09709540      3.95450117    -16.71936535
  H     16.18952145     11.56666077    -14.45082703
  O     13.69920667      7.07659373    -12.66095312
  H     21.38001539      5.83004939    -16.27276642
  H     15.27616447     10.53935690    -15.16734307
  O     16.12764284     10.64941781    -14.70224445
  H     20.06466954      6.58786335    -16.56943277
  H     14.84465545      8.58088581    -18.70892985
  O     14.99566871      9.54137286    -18.64599172
  H     17.01948204      9.81202904    -16.18684197
  H     14.78572065      9.91063794    -19.49921373
          69
 Energy    -248.35693976180920     
  O     18.90759628      4.70290316    -13.80696141
  H     19.74375904      4.27496240    -13.96967099
  H     13.57242679      5.71066466    -13.80151929
  O     14.31759652      9.88673663    -13.49363572
  H     18.60854513      5.07168699    -14.65807410
  H     14.22823940      9.87516052    -11.74319013
  O     11.38048491      9.39100403    -10.43741398
  H     13.53042828      9.48992321    -13.88989401
  H     15.00213240      9.87773218    -10.38990596
  O     13.79835044      7.59341347    -16.60469860
  H     14.71592520     10.49777543    -14.12986406
  H     16.65927487      8.09132434    -14.64589975
  O     17.81996863      5.75818973    -16.05574928
  H     12.31365326      9.63890026    -10.48977165
  H     15.50152222      8.52657890    -13.69995447
  O     15.04799726      5.52905984    -15.00182755
  H     11.35769446      8.54605118     -9.97236206
  H     17.23872566      3.92246287    -13.45683457
  O     16.75125893      9.80875853     -9.71279036
  H     14.13558992      6.77422633    -16.22462116
  H     16.14242134      3.44568994    -12.49244302
  O     11.42446709      6.65549490     -9.52593188
  H     13.12918625      7.92112303    -15.98874495
  H     15.60528449     10.80042634    -16.16952277
  O     17.72435036      8.54934125    -16.07991584
  H     16.87463470      5.58976013    -15.98447738
  H     16.61447881     11.25643846    -15.09120577
  O     10.01519615      9.00704955    -12.75534856
  H     17.91351538      6.71561205    -16.16123776
  H     19.11568942     11.42355622    -14.58777875
  O     10.36823095      6.24327617    -11.99862870
  H     15.40038682      6.33057803    -14.57809566
  H     18.38951210     10.44129552    -13.64195754
  O     12.92186030      6.06266886    -13.18522928
  H     15.41142377      4.77629077    -14.51169022
  H     11.36097042      8.71554946    -14.01222231
  O     14.14499998      9.69864246    -10.79300837
  H     16.74299315      8.83532324     -9.66202485
  H     12.41413986      7.58869509    -14.01105845
  O     16.10564861      7.80279543    -13.90764934
  H     17.04153657     10.12576056     -8.86150320
  H     15.35035806      9.61693996    -18.46056896
  O     16.30537738      3.66945505    -13.40654765
  H     10.98086628      6.17570168     -8.83224657
  H     14.88128445      8.79241834    -17.23895327
  O     15.68990442     11.32245085    -15.36177702
  H     10.97059254      6.43336811    -10.35893890
  H     17.85391262      9.89750930    -11.29414670
  O     18.40042224     10.79408747    -14.54978034
  H     17.04164805      8.87146875    -16.68539004
  H     18.46921593      8.74311493    -12.09792621
  O     12.16620134      8.41590343    -14.45148374
  H     18.09640845      9.31941207    -15.63014500
  H     18.47935003      6.15737086    -12.66718587
  O     15.52939068      9.45517444    -17.53826791
  H      9.23546297      9.55491572    -12.77752650
  H     17.32641170      7.18643849    -12.76327172
  O     18.39351450      9.70612684    -12.06965664
  H     10.48811308      9.22461763    -11.93161751
  H     15.72672567      6.86576214    -10.09033769
  O     18.07206706      6.90103195    -12.21123965
  H     11.16316040      6.01248513    -12.49902509
  H     17.19025131      6.90526348    -10.59320836
  O     16.62800667      7.09532289     -9.82898695
  H     10.09497246      7.10957371    -12.32515070
  H     13.16951106      6.72670631    -10.20787675
  O     13.95445886      6.90937085    -10.74077148
  H     13.38750405      6.31113221    -12.37267343
  H     14.02742377      7.87450425    -10.78952354
          69
 Energy    -248.35688570828097     
  O     12.71579980     13.71557811    -11.82415233
  H     11.89779448     14.17763312    -12.04319627
  H     14.62658298     14.87268455    -16.52172435
  O     13.03258128     12.03810222    -16.54232432
  H     13.37515454     13.98527147    -12.48128485
  H     17.59980250     10.29334872    -15.76933747
  O     12.02547211     11.04675364    -12.09918524
  H     12.07571756     12.15037466    -16.60639775
  H     16.90987938     11.38755556    -16.66393530
  O     16.94880504     11.50558923    -11.44553896
  H     13.17716532     11.40590150    -15.82538858
  H     15.13639436     13.51639250    -13.72063707
  O     10.35458622     14.82498950    -12.83185795
  H     12.25788824     11.98537337    -12.02345024
  H     14.36327415     14.65574210    -14.42219022
  O      9.89637297     12.10382996    -13.64258299
  H     12.42059789     10.61598897    -11.33243226
  H     17.00883864     14.53247801    -16.36659558
  O     13.52722410     10.37816677    -14.33286319
  H     16.24947409     11.96789804    -10.95913465
  H     16.86420297     15.37467226    -17.65231639
  O     16.27579428     14.90609106    -11.31541288
  H     17.62303803     12.15999799    -11.66842924
  H     16.18378106     11.65859373    -13.06781571
  O     10.26499776     12.49087155    -16.31146817
  H      9.75961786     15.52119011    -12.56760131
  H     16.38867431     11.67557734    -14.61725196
  O     18.15148033     13.84784714    -15.21187344
  H     10.61733774     15.01208104    -13.75165549
  H     14.71388916     11.98707695    -17.46655158
  O     17.49644850      8.57749913    -15.18605710
  H     10.49910173     11.58564045    -13.09482161
  H     15.85793036     13.00580979    -17.65456585
  O     13.75322440     14.72642084    -16.13561507
  H      9.91765361     12.99931375    -13.28167388
  H     14.28529739      9.62670794    -10.38634906
  O     17.53426382     11.24250427    -15.93588997
  H     12.92865267     10.54559944    -13.59287275
  H     13.37417053      9.55878305     -9.13725939
  O     14.71692729     14.37657593    -13.56946760
  H     14.31947887     10.91965080    -14.17705947
  H     16.24678880      9.75609568    -11.38586487
  O     16.38545948     14.79310743    -17.06730274
  H     15.81300827     14.33286548    -10.69488202
  H     15.48930253      8.67050384    -12.20017684
  O     15.75004847     11.84081051    -13.91086904
  H     15.73120644     14.91238670    -12.11690587
  H     14.47052575      7.30991170    -14.12344142
  O     15.63754603     12.06936710    -17.73470655
  H      9.49345884     12.21147386    -16.79689017
  H     14.41532415      8.85286148    -14.17056874
  O     13.56265501     10.07816898     -9.91427606
  H     10.10415780     12.27135251    -15.37618681
  H     10.72224121     14.30658992    -15.85104307
  O     15.62617090      9.01818043    -11.31191419
  H     18.13532478     12.91800693    -15.48410467
  H     11.99187323     15.16295445    -15.69968471
  O     14.99153387      8.09518296    -13.97297934
  H     18.27188452     13.84337785    -14.25694288
  H     19.31527345     14.09777567    -11.96620994
  O     11.06626594     15.10336812    -15.42829914
  H     16.64297899      8.36721084    -14.78092020
  H     17.77524209     14.23915711    -11.93292105
  O     18.50855061     13.71653378    -12.30414766
  H     18.13140328      7.99033470    -14.78157109
  H     14.35634955     11.83975782     -9.89829067
  O     14.72286082     12.69066565    -10.16913058
  H     13.53503177     13.79337404    -16.28087217
  H     14.00423789     13.12602310    -10.65048918
          69
 Energy    -248.35678103286386     
  O     16.69518824     10.33247259    -10.96093021
  H     16.49081197      9.74560948    -10.21541684
  H     17.72255596      5.64795474    -13.49155509
  O     14.82133260      5.13825414     -7.61395100
  H     17.57924833     10.08475038    -11.26101677
  H     15.91914866      5.56303493     -9.05657997
  O     16.26331776     12.58584569     -9.44255836
  H     14.61256579      4.31901804     -7.17281171
  H     15.72594221      6.17044932    -10.47644297
  O     12.97739526      6.65158324     -9.26414164
  H     15.22097518      5.72266630     -6.94679132
  H     18.91900796      8.85753378    -13.34451508
  O     14.72524055      9.28195874    -12.59253295
  H     16.38044573     11.85338837    -10.07048859
  H     18.79721714      7.46183430    -13.97987796
  O     19.19163102      9.31290877    -11.55428776
  H     15.96908990     13.33767964     -9.95061061
  H     17.70770419      9.09650567     -6.22497664
  O     20.55019756     10.34667270     -9.33066011
  H     13.48176043      6.12243027     -8.63533638
  H     16.78006293      9.33916669     -7.43559770
  O     18.86381528      6.65836786    -10.74288654
  H     12.99555937      7.55934647     -8.93166367
  H     16.99808939      8.55993915    -14.69708755
  O     14.80260729     11.34586125     -7.27436273
  H     15.10036042      9.08951822    -13.46062015
  H     16.00503583      8.78992329    -15.86136814
  O     12.58758448     10.24510788    -11.11137425
  H     15.42542084      9.70106366    -12.07095373
  H     16.19093187      7.72656985     -9.15221689
  O     13.42159226      9.36263968     -8.62637204
  H     19.75205463      9.73351769    -10.89070216
  H     15.11471194      8.82295835     -8.83829611
  O     18.68810428      5.64233249    -13.35944536
  H     19.05635566      8.39902785    -11.26062047
  H     17.86332467     12.12506911     -8.49778929
  O     16.37795775      6.01298284     -9.77650237
  H     21.36756149     10.82358378     -9.21526236
  H     18.11888083     11.04817652     -7.43109101
  O     18.64446646      8.39990837    -14.15009618
  H     19.85935501     10.85629499     -8.87036236
  H     15.74692134      7.77884363     -5.89063005
  O     17.08035811      9.72741789     -6.59626627
  H     18.92868313      6.23019372    -11.60541334
  H     16.99453337      6.90820617     -5.88474932
  O     16.05597411      8.53392075    -14.94447878
  H     18.01376948      6.38245845    -10.36870456
  H     14.46829178      7.56558005    -11.90776039
  O     16.06568456      8.65163222     -8.91242982
  H     15.21690545     11.86598403     -7.97453009
  H     13.78156721      6.61744476    -10.87561310
  O     18.56670080     11.65124958     -8.03871433
  H     15.53171803     10.91155879     -6.81504847
  H     19.66461636      7.24698877     -9.15381502
  O     16.02802467      6.86220877     -5.88718968
  H     11.75346647     10.11978855    -11.55843840
  H     20.22077709      8.59569769     -8.64964070
  O     14.41490879      6.64841084    -11.60849458
  H     13.27065792      9.94333221    -11.73023886
  H     19.19592519      7.54750763     -6.81344627
  O     19.94239685      7.71914950     -8.35866288
  H     13.07477718      9.73349585     -9.45136190
  H     19.44585504      7.36657667     -5.29846233
  O     18.76120848      7.52739149     -5.94192834
  H     13.73834774     10.09975007     -8.08481387
  H     15.93734869      6.71406301    -14.29416662
  O     16.01964592      5.89770737    -13.78614049
  H     19.02083145      4.86290245    -13.79596392
  H     15.39452303      5.98400913    -13.05421742
          69
 Energy    -248.35663413563873     
  O     14.14674630     12.24872251    -14.43110063
  H     15.10403064     12.32203033    -14.36921095
  H     18.78068492      6.23834392    -15.63620326
  O     14.73448095      6.47050943    -14.19063138
  H     13.97024292     11.73745690    -15.23561480
  H     16.37689178      9.16720604    -15.23685900
  O     17.91154786      8.00481582    -11.52724459
  H     15.03614567      7.34716443    -14.47887721
  H     14.86213185      9.48500282    -15.35097221
  O     17.99529346      9.92800222    -15.77996739
  H     14.18837173      6.63314175    -13.41068515
  H     12.99385178     11.68975088    -13.26583209
  O     11.85184796      8.45801855    -16.42771383
  H     17.61092613      7.21632192    -12.00478130
  H     11.66431850     11.97542687    -12.52961882
  O     14.75729914      9.00636976     -8.42855271
  H     17.70051846      7.85702205    -10.59770783
  H     15.86456783      6.18192107     -9.98769499
  O     13.41033375      7.25976383    -11.84395871
  H     18.56003058      9.48151369    -15.12535018
  H     15.97457329      5.49692312    -11.35733788
  O     16.30132618     10.03535371    -12.43146892
  H     17.73995868     10.76785572    -15.37774497
  H     11.94587035      9.59407602    -13.38120726
  O     15.85737268      7.17519564    -18.49468610
  H     11.81332814      8.50810488    -15.45480903
  H     12.24582113      8.10474430    -13.10072722
  O     18.17179262      7.25040520    -16.90929979
  H     10.95066068      8.41276652    -16.73570408
  H     19.02723780      8.45716110    -13.00112045
  O     13.84479572      6.47569415    -16.84252749
  H     13.98141774      8.89315407     -7.88475634
  H     19.47246426      7.59684070    -14.18897514
  O     19.14959649      5.80761965    -14.84391963
  H     14.44283293      9.38312926     -9.26632366
  H     16.28042485      5.90978587    -13.44069015
  O     15.51551934      8.99390664    -14.83737836
  H     13.61244565      8.13694152    -11.49433227
  H     17.80087943      5.62560144    -13.55735079
  O     12.33978840     11.31330832    -12.64971466
  H     13.97244357      6.64327631    -11.35108675
  H     16.18581666      8.01828048     -8.71040935
  O     15.35529423      5.68905906    -10.64127138
  H     15.91906337      9.64360305    -13.23274334
  H     17.36901722      7.20907836     -8.13114368
  O     11.83672359      8.70395449    -13.73692406
  H     16.90464790      9.37684141    -12.06036951
  H     16.80668134     10.07940850    -17.50128469
  O     19.38470862      8.51244822    -13.89624929
  H     15.12739888      6.89699752    -17.91301218
  H     15.98932445      9.03420156    -18.28955397
  O     17.08185418      5.73797714    -12.92401714
  H     15.73872798      6.71887046    -19.32331367
  H     13.36383590     10.43281354    -11.39006898
  O     16.93046133      7.43896013     -8.94634386
  H     17.39681161      7.13940557    -17.47451730
  H     14.85188958     10.01184892    -11.39269814
  O     16.02757357      9.97189528    -18.05511545
  H     18.21808768      8.18855725    -16.69622301
  H     17.57632379     12.76451177    -13.72989532
  O     14.01315615      9.89399072    -10.92214264
  H     14.11440673      6.27601531    -15.93593533
  H     16.86043248     11.43075075    -13.41443633
  O     17.05221043     12.06993278    -14.12227141
  H     13.10996183      7.09643286    -16.76571089
  H     13.11028963      9.82843217    -16.64453964
  O     13.81182063     10.47666086    -16.50920432
  H     19.82143470      5.20307683    -15.14745163
  H     14.49663104     10.35133682    -17.18352157
          69
 Energy    -248.35641543135790     
  O     12.88383779      9.91485294    -10.72345201
  H     13.53523200      9.45536932    -11.26505819
  H     14.32520467     14.58357696     -5.96115056
  O     11.34983514     12.03714521    -11.47281292
  H     13.35276727     10.15970941     -9.91679141
  H     10.78314659     12.50257926     -9.82653971
  O     14.59493604     10.45116005     -8.59996625
  H     11.85956464     11.24810491    -11.22685789
  H      9.82398258     12.17359893     -8.64720760
  O     15.03693309      8.26035062    -11.61996737
  H     12.01549468     12.68338903    -11.74082485
  H     11.57700331      8.01048025     -8.11542240
  O     13.44293236     15.89760391    -10.57689821
  H     14.66674210      9.49645821     -8.47995758
  H     11.43665960      7.27914543     -9.46787880
  O      8.39151721      9.49781558    -10.58357788
  H     13.93495089     10.81148808     -7.98978826
  H     10.08243867      9.86148237     -7.51939501
  O     13.63761091     13.50010486    -12.02142965
  H     14.96022362      7.94803192    -10.70999372
  H     11.51861399     10.17065259     -7.06725631
  O     15.40199338     14.55443977     -8.94872242
  H     14.37270025      7.80490574    -12.16095203
  H     15.07148482      6.94279425     -8.33923161
  O     10.81695987      8.12417130    -11.16331615
  H     13.32365264     16.82203984    -10.77632148
  H     13.68167963      7.46306606     -8.77456686
  O     11.87161001     15.16105523     -8.49187885
  H     12.81669225     15.68063934     -9.86262378
  H     15.31887953     11.59498205     -9.78562073
  O     14.02632839     11.37310631    -13.86400586
  H      9.06970321      8.81691912    -10.49254397
  H     16.01369060     11.66035212    -11.16929429
  O     13.90925426     14.16550278     -6.71015641
  H      8.56071083      9.87415057    -11.45528291
  H     10.55153203      9.95303052    -13.65705538
  O     10.58857912     12.70486658     -8.90027206
  H     13.55552463     14.39262125    -11.66381777
  H     10.30379907     10.91255430    -12.48561917
  O     11.96577187      7.31114792     -8.66507914
  H     14.28607058     13.04595962    -11.46349031
  H      7.73565115     10.90987450     -7.79866585
  O     10.91680258      9.44519489     -7.27469328
  H     15.63288669     13.77192394     -9.46665202
  H      8.43585784     10.39995619     -9.07973571
  O     14.64032852      7.62262176     -8.85017564
  H     14.86934138     15.10916425     -9.53168318
  H     12.11907084      9.63325704    -15.64838943
  O     15.61250346     12.20288141    -10.48034057
  H     11.52612961      8.68691113    -10.81215779
  H     12.78799335     10.27403103    -14.41192208
  O      9.93148163     10.14290540    -12.94197031
  H     10.41319029      8.66830002    -11.85525938
  H     17.23448661     10.18650729    -12.92150494
  O      8.58192920     10.86076240     -8.23552986
  H     11.30235295     14.39114974     -8.62662674
  H     15.98631491      9.59861782    -12.21974303
  O     12.12062956      9.62334890    -14.69441237
  H     12.47371389     14.92049232     -7.77749691
  H     12.65031634      8.09396706    -13.69825935
  O     16.39087146     10.42235826    -12.54442419
  H     14.87675544     11.06078091    -13.53373039
  H     12.13378703      7.39133538    -12.43596483
  O     12.87781487      7.41546907    -13.04883789
  H     13.84185034     12.18807243    -13.38025531
  H     11.91916595     12.06048840     -7.82312348
  O     12.59935704     11.73774498     -7.21333232
  H     14.51067310     14.28355052     -7.46739322
  H     13.06173639     12.52290149     -6.89354531
          69
 Ord_Energy   -248.356064    
 O   0.157245025       1.60078883       5.01865053    
 H   -9.71822888E-02  0.704107225       4.76595402    
 H    1.11121547       1.57635307       5.15115118    
 O   -1.56218946      -3.14540505      -1.63927794    
 H  -0.610209048      -3.18556070      -1.84130406    
 H   -2.01539135      -3.59561944      -2.34713459    
 O    3.03080249       1.24953353       5.03172255    
 H    3.65608072       1.18551743       5.74948740    
 H    2.95634508      0.363475680       4.64265442    
 O    1.14067900      -3.03076077      -1.93222296    
 H    1.39806652      -2.11179209      -2.07943249    
 H    1.41505921      -3.24317312      -1.02990675    
 O    1.61535490     -0.213614538      -1.73158836    
 H    1.98006868     -0.395692140     -0.855026841    
 H    1.97025883      0.647280633      -1.98388517    
 O   -1.12706423     -0.380302459      -1.04998159    
 H  -0.208504334     -0.275533527      -1.33140743    
 H   -1.40968812      -1.25372541      -1.34745538    
 O    2.69128680       2.85859942       2.71481967    
 H    3.26623225       2.53012991       2.00656939    
 H    2.93912864       2.41256785       3.53193450    
 O    2.65981269       2.40833235      -1.89831674    
 H    2.94929433       3.00930643      -2.57983255    
 H    1.93395746       2.84962893      -1.42312527    
 O   -1.30871892      -3.43580794       1.19471431    
 H   -1.53083313      -3.51688075      0.259229094    
 H   -1.59896970      -2.54766655       1.45476592    
 O   -1.09763741       3.77288246       3.93396735    
 H  -0.646301508       3.03024507       4.37368679    
 H   -1.53758025       4.26936674       4.61939144    
 O    1.45492482      -3.26636720      0.884327412    
 H   0.497269839      -3.33189297       1.01296771    
 H    1.86716890      -3.65590382       1.66400957    
 O   0.626341045       3.33308005     -0.346104652    
 H   0.617883265       2.51795197      0.176600605    
 H   0.651243508       4.03796196      0.317502648    
 O    2.38138533     -0.678430617      0.939215660    
 H    1.67070031      -5.04364185E-02   1.16168082    
 H    2.02021098      -1.57649386      0.904700696    
 O   -2.02109933       2.31749320     -0.577367187    
 H   -1.20509338       2.81967759     -0.696546435    
 H   -1.82644367       1.41934180     -0.875546932    
 O    2.49629617      -1.13580048       3.71647286    
 H    2.65769053     -0.938258171       2.78495717    
 H    1.53391135      -1.08041692       3.84086776    
 O   0.784720123       4.79067707       1.98321152    
 H    9.23746526E-02   4.58300161       2.62173748    
 H    1.55964708       4.29697847       2.28732324    
 O  -0.435896784      -3.80415440       3.93053699    
 H  -0.831456304      -3.89997387       3.05459714    
 H   0.492772907      -4.04354620       3.83075857    
 O    2.43950582      -3.92517066       3.45273304    
 H    3.14661050      -4.40851498       3.87310028    
 H    2.57172894      -2.98828220       3.66806817    
 O   -1.78715336     -0.767579317       1.64896548    
 H   -1.49356246     -0.625214279      0.737390637    
 H   -2.13725233       8.70250612E-02   1.93832624    
 O   0.658008873       1.29554415       1.58304596    
 H    1.22763109       1.88667071       2.09634399    
 H  -0.256472319       1.43688166       1.85345507    
 O  -0.240714893      -1.04612315       3.98637629    
 H  -0.719703257     -0.868230224       3.16614795    
 H  -0.385790437      -1.98563194       4.16955471    
 O    3.99056220       1.66717696      0.578664422    
 H    3.64867949      0.769762635      0.673987508    
 H    3.68579650       1.96865594     -0.285792291    
 O   -2.09587216       1.87210369       2.13197184    
 H   -2.19942546       2.17763543       1.21681595    
 H   -1.91733599       2.62923193       2.70029116    
          69
 Energy    -248.35597717292899     
  O     12.05842834      7.68373984    -10.15005002
  H     11.22181309      7.82231814     -9.71602506
  H     18.19921832      6.46253455    -15.49696530
  O     15.99816127      4.84249059    -13.72564853
  H     12.64674700      8.40884295     -9.86560473
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  H     14.29639006      5.36453748    -10.48193757
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  H     20.61102920      6.69021246    -12.52256969
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  H     15.09811018     10.95047788    -12.38506312
  H     15.99408852      7.31667846     -9.26612430
  O     17.72191879      4.87515346    -11.51529895
  H     14.37723631     11.37899345    -15.75181838
  H     16.81191287      8.50060288     -9.79804313
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  H     15.64305090     10.50505947    -15.84908575
  H     14.34425100     10.11933121    -17.62541500
  O     17.84692241      8.63099067    -11.36493054
  H     16.97186441      4.84433644    -17.14582681
  H     13.88008935      9.82727592    -19.07448994
  O     19.65982297      6.74806380    -12.48757626
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  H     14.60117884      9.25979820     -9.41878323
  O     16.08391357      8.27498651     -9.20503464
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  H     13.90714832     10.25545497    -10.39090487
  O     13.89955410      9.46375193    -18.19380872
  H     16.22756837      8.56710321    -14.18279887
  H     12.17591499     12.23263800    -14.75316794
  O     13.75563059      9.68807843     -9.62671780
  H     14.23315165      7.14414194    -16.09615375
  H     12.45117999     10.74872360    -15.08343085
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  H     14.60720509      7.95919806    -17.36928874
  H     13.46507633      9.25727107    -12.51022876
  O     13.13348825      8.35883093    -12.64984363
  H     18.08426876      7.91844347    -15.04282640
  H     12.66024882      8.10284781    -11.84929499
          69
 Energy    -248.35597029245451     
  O     -2.27711597     -7.01550394      2.20069133
  H     -2.95889243     -7.38342689      1.62484729
  H      2.25594175     -5.91155278      1.86382206
  O      0.14483676     -4.85117630     -1.83004911
  H     -1.80108628     -6.35089587      1.67860132
  H     -0.81466277     -8.20097333     -0.67238438
  O      1.04901218     -1.77711069      3.45716239
  H      0.16673260     -3.93913264     -2.14542659
  H     -1.71779537     -7.71725162     -1.82877200
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  H      1.05760610     -5.16923855     -1.84603088
  H      1.42761477     -2.29761567     -2.41466581
  O      1.75247878     -6.54216716      3.47341295
  H      1.40216611     -1.18043556      4.11047998
  H      0.54970685     -1.73837154     -3.56212043
  O      2.90749249     -2.77972347     -1.63934262
  H      0.19987156     -1.40384970      3.15621754
  H     -0.40652165     -1.69593592     -1.14673897
  O     -0.01798560     -4.38158410      3.44949465
  H      2.73814225     -9.17753387     -2.13028820
  H     -1.57047705     -2.21882901     -0.25457282
  O      1.62698467     -2.81097202      0.89442151
  H      1.80116573     -8.31875776     -1.26792968
  H     -3.42947260     -3.01434598      0.93973000
  O     -3.97130548     -8.01299285      0.23194100
  H      1.18929654     -7.31908632      3.38229703
  H     -3.50146495     -3.95773376     -0.32548795
  O     -1.30422817     -0.97144822      2.41198322
  H      1.14940459     -5.80318704      3.64147862
  H      2.81265602     -6.53261117     -2.00568042
  O     -3.71002516     -2.56099765      2.72535396
  H      2.65698264     -2.70649156     -0.70792886
  H      2.82811332     -5.62736036     -0.75063054
  O      2.26922792     -5.57377128      0.95667960
  H      3.07407852     -3.71933221     -1.79467721
  H     -1.78321657     -4.60432620      3.96667623
  O     -1.66000956     -8.35996867     -1.11035077
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  H     -2.78089439     -5.63687509      3.44709081
  O      0.50837260     -2.17428405     -2.71586547
  H      0.37587041     -3.50566071      3.53972845
  H     -1.17868633     -5.73016467     -2.57782134
  O     -0.74285388     -1.71415550     -0.24352935
  H      0.78621732     -2.52836811      0.50846176
  H     -1.83733929     -6.23257630     -3.88384014
  O     -3.01265324     -3.23557897      0.09719317
  H      1.65275366     -2.41697071      1.77435182
  H      1.23510621     -7.07001960      0.45339589
  O      2.84282339     -5.60945784     -1.72089091
  H     -4.57376436     -8.73917113      0.09812007
  H      0.55762307     -8.30264425      1.08487916
  O     -2.73121961     -4.79258060      3.91134164
  H     -3.15494449     -8.22640981     -0.25843064
  H     -0.38808977     -9.39574000      3.29971353
  O     -1.93937987     -6.21893612     -2.93564092
  H     -1.13041656     -1.05404007      1.46383474
  H     -0.93887401     -8.09312888      2.67310774
  O      0.80600400     -7.90952167      0.23885504
  H     -2.13101398     -1.43925480      2.57657733
  H     -3.39832794     -5.68116731     -1.81477000
  O     -0.13465081     -8.62545956      2.79812862
  H     -3.41192473     -3.36197261      3.19213039
  H     -4.14937439     -6.27945882     -0.61699031
  O     -4.02654253     -5.46275411     -1.11450857
  H     -4.50037157     -2.26291863      3.16753506
  H     -0.47764277     -5.03059033      0.00660032
  O     -0.97425199     -4.97353400      0.83011611
  H      2.01856000     -4.64129423      0.99333700
  H     -1.71267558     -4.37655645      0.64616662
          69
 Energy    -248.35544712872490     
  O     19.38799166     11.61143366    -10.39052037
  H     19.35607343     12.53106193    -10.14286146
  H     18.59899159     10.62037932    -11.74295549
  O     17.06839344      6.46023198     -9.58991740
  H     18.92211528     11.11745114     -9.69021707
  H     20.99367247     10.71133899    -10.87593697
  O     18.28417724      3.42806485    -11.82920072
  H     16.56688288      7.25653822     -9.37351516
  H     21.69856144      9.38731741    -10.52044727
  O     19.58580626      5.49177437    -13.19719675
  H     17.51274470      6.14399370     -8.79317708
  H     18.19920433      6.58351203    -16.26340929
  O     21.26592714      7.82447052     -9.65443273
  H     18.13006784      2.50509458    -12.01407240
  H     18.67187422      7.51461498    -15.11904294
  O     15.97696183      4.82538101    -11.48140779
  H     17.41047316      3.84193404    -11.71841828
  H     19.43695632      3.92368980    -10.32581442
  O     22.23464642      6.23819959    -12.86593709
  H     19.10744422      5.77544925    -13.98745875
  H     20.78413392      4.54477483     -9.86083129
  O     19.56894223      8.14800501     -7.45386166
  H     19.14801223      4.71208170    -12.83492439
  H     15.71821019      8.24069396    -12.70162623
  O     22.42938764      5.33302344    -10.33685355
  H     20.48721714      7.73288257    -10.22627051
  H     16.46145731      9.52894150    -12.28009794
  O     19.04056173      7.48207499    -11.28004034
  H     21.77139089      7.01146630     -9.76264488
  H     16.70472979      6.68492110    -14.20500962
  O     18.04502767     10.17119861     -8.55765146
  H     16.35242173      5.38394563    -10.78228299
  H     16.03712925      6.02383904    -12.96532016
  O     18.23105686      9.92852120    -12.30496027
  H     15.01753616      4.92641665    -11.41611740
  H     22.84086293      9.45440084    -13.97968760
  O     21.72596371     10.13811836    -11.13030512
  H     21.34723876      5.92095281    -13.08719721
  H     21.97586220      9.44730732    -12.70043414
  O     18.23198896      6.66577109    -15.31469053
  H     22.25373716      7.17119269    -13.10998611
  H     14.69270781      8.75178908     -9.26706012
  O     19.93158578      4.21294298     -9.55168158
  H     19.25912357      7.24394248     -7.33386955
  H     15.72904033      8.94810275    -10.37174565
  O     15.62927344      9.05007532    -12.17193482
  H     20.27020364      8.08802433     -8.11798012
  H     12.43301033      8.93716284    -11.51247384
  O     15.97673957      6.76649325    -13.57818770
  H     23.29695297      4.97707686    -10.16567009
  H     13.93394857      8.65072577    -11.66580009
  O     22.11254743      9.00560209    -13.55781507
  H     22.42811117      5.63872161    -11.26234928
  H     20.39702680      8.95010195    -14.33310897
  O     15.63528960      8.83224009     -9.41190597
  H     19.23671255      6.82163253    -11.95643115
  H     18.98994889      9.41380122    -13.91634196
  O     13.11736190      8.32447507    -11.25346223
  H     18.36965813      7.11182538    -10.69128650
  H     18.50161146      4.82248629     -6.80362045
  O     19.47222071      8.94250113    -14.60905143
  H     18.55349319      9.49048355     -8.09132899
  H     19.13727594      4.96645858     -8.20780072
  O     18.61790487      5.43212714     -7.52689173
  H     17.18047794      9.79199748     -8.74439350
  H     13.21206070      6.47682585    -11.23299255
  O     13.31101103      5.51273953    -11.22158864
  H     18.53601172      9.08398905    -11.93530796
  H     12.45263769      5.16015245    -11.44407343
          69
 Energy    -248.35528673653107     
  O     11.39695392      8.25100174    -15.01566691
  H     11.00218074      8.80311351    -14.32659777
  H     18.23570370      8.21898721    -14.79799244
  O     16.48181818      8.25126445    -11.43706127
  H     11.89372780      7.55644575    -14.56914968
  H     19.04065042     11.24968556    -14.92258062
  O     15.92789443     12.49442138    -14.24693405
  H     16.97510390      8.14316967    -12.25957458
  H     19.47401013     10.23109461    -15.99075807
  O     11.97520161      9.36861202    -17.37189645
  H     16.70627280      9.12885004    -11.10861734
  H     16.25675291     11.40853246    -10.49484334
  O     14.19722214     10.34199829    -13.95242420
  H     15.79247896     12.35480906    -15.19399743
  H     17.63651832     11.11155353     -9.87174551
  O     11.78295304     12.61704991    -13.39306036
  H     16.74633855     12.04734715    -13.99107618
  H     16.15228228     12.06112421    -17.33995937
  O     13.78162766      7.64839657    -11.44853530
  H     11.73805233      8.90652564    -16.54522989
  H     15.16699024     10.91162932    -17.03488470
  O     12.67364242     11.66688436    -15.90773651
  H     11.28640901      9.17978133    -18.00275606
  H     11.17380597      9.96165155    -12.32761811
  O     17.46173084      9.21389791    -18.25745985
  H     14.86776627     11.03703940    -13.92377551
  H     10.42812968     10.90572959    -13.26646983
  O     12.89060586     10.38524693    -11.56193246
  H     13.55289750     10.63259639    -14.61163575
  H     14.51358352     12.82712298    -10.99033803
  O     19.22287950      8.36485611    -16.37339760
  H     12.12667583     11.91204473    -12.83149259
  H     14.35105905     12.68893663     -9.45626172
  O     17.62814966      8.31669651    -14.05471799
  H     12.01531171     12.37947271    -14.30310120
  H     13.28392099      6.76418888    -12.83787987
  O     19.36142654     11.17671910    -15.83013240
  H     13.37935635      8.50661971    -11.28282801
  H     12.87502926      5.42752641    -13.50355572
  O     17.10629417     10.96930993    -10.65336058
  H     14.74003236      7.78845917    -11.40168434
  H     17.88257946     10.04613049    -13.58291190
  O     15.31943890     11.85784467    -16.89553984
  H     12.31356765     10.96926075    -16.47095974
  H     17.83450347     11.04307308    -12.39782564
  O     10.49387694      9.97970632    -13.01447727
  H     13.50012130     11.95487726    -16.31829722
  H     13.34579839     13.58170979    -12.79524616
  O     14.64110098     12.22187074    -10.23572266
  H     17.60412845     10.16584815    -18.32565793
  H     14.85700834     13.43586695    -13.09672102
  O     13.05933679      6.34393918    -13.68878646
  H     16.51862181      9.09614734    -18.08252396
  H     14.91742814      8.61615241    -16.55300976
  O     18.03604888     10.97157670    -13.33810734
  H     13.40478090     10.26455500    -12.37827526
  H     13.84261551      9.15554154    -17.52498439
  O     14.22458949     13.71730990    -12.42004455
  H     13.41709856     10.95203198    -10.98773255
  H     18.40000530     12.66935664    -18.47103724
  O     14.79332463      9.13387763    -17.36195441
  H     19.86114261      7.76742507    -16.75364814
  H     18.45014658     11.81795462    -17.17963115
  O     17.89941065     12.04781592    -17.94968662
  H     18.58890764      8.58651080    -17.07911834
  H     14.74233608      8.74209629    -14.49092167
  O     15.03715820      7.91017679    -14.89548659
  H     16.74612496      8.09582620    -14.38873139
  H     14.43538007      7.22839145    -14.57481737
          69
 Energy    -248.35513041373650     
  O     -2.83971573     -1.34130755      6.64383903
  H     -1.97092280     -1.52299107      6.26058625
  H     -1.74924132     -5.40259969      0.79240254
  O      0.68348007      0.08969952      4.07619323
  H     -3.27956190     -0.73496886      6.03289997
  H      2.38151719     -2.36321264      2.97838005
  O     -2.73684697     -0.17439843      2.36030331
  H      0.17370507     -0.66461323      4.41511780
  H      2.19145094     -1.09208972      3.82298818
  O      1.88150289     -3.42171742      5.83825671
  H      0.67181443      0.75160533      4.76456226
  H     -0.22334636     -2.61201628      1.77058735
  O     -4.15384500     -3.69349817      6.32798621
  H     -3.36609652     -0.32305051      1.63746452
  H     -1.34761677     -2.14964673      0.79503554
  O     -0.53946760     -2.12339439      5.22661072
  H     -2.12745500     -0.92617537      2.33450449
  H     -2.27622673     -3.71162951      1.88432291
  O      0.50592250     -5.55823604      4.52673184
  H      2.52021922     -3.44741931      6.54493764
  H     -3.76099229     -4.16077653      1.77178914
  O     -5.41177550     -2.37968190      4.12636800
  H      2.28259797     -2.91162374      5.11066640
  H      1.64879374     -2.95517794      0.71332299
  O     -0.29247598      0.97351741      1.55037371
  H     -4.49868238     -4.05295861      7.14059202
  H      1.47584818     -4.15952874      1.69798424
  O      1.19442336     -5.98098302      1.95434103
  H     -3.70820272     -2.85665250      6.55416749
  H     -5.44493306     -2.96364792      2.49452606
  O     -0.62434747     -4.06777576     -1.91791402
  H     -1.07292032     -2.84486656      4.86565900
  H     -6.24523979     -3.67935806      1.38051324
  O     -1.02789480     -5.67750284      0.21110315
  H      0.26420544     -2.53506351      5.57081963
  H      1.21556003     -1.55542140     -1.02419115
  O      2.70801048     -1.90449556      3.76753648
  H     -0.41393782     -5.27355955      4.61772449
  H      0.89630888     -3.02061730     -1.39875461
  O     -1.15308974     -2.35667220      1.72049264
  H      1.03441016     -4.91662709      5.01605381
  H      0.10994413      0.43349209     -0.05808701
  O     -2.86956335     -4.47677659      1.96155270
  H     -5.08265204     -1.48745629      4.28841596
  H      0.45884380      0.85168401     -1.50379775
  O      1.51337424     -3.19718496      1.64197341
  H     -5.08954455     -2.91444935      4.86164974
  H     -1.52391360     -2.55470348     -1.37575501
  O     -5.39302079     -3.30203792      1.58210111
  H      0.18536154      0.69905069      2.34245773
  H     -1.20035302     -1.06259633     -1.07235678
  O      1.56184975     -2.45591135     -0.98565798
  H     -1.21867472      0.78825985      1.75371004
  H     -3.61185628      0.08887450      3.83345914
  O      0.24481586      0.09692976     -0.96183264
  H      1.85075164     -6.67115602      1.91026742
  H     -4.58730476      1.00157524      4.61345429
  O     -1.85762204     -1.75932429     -0.94003376
  H      0.94245871     -5.89239063      2.89130031
  H     -2.40863563     -4.52734421      3.70916499
  O     -4.15832560      0.15021933      4.63677986
  H     -0.70345407     -4.58336568     -2.71560743
  H     -2.78851347     -4.30551096      5.20395830
  O     -2.04586694     -4.41588868      4.59889293
  H     -0.76613741     -4.68002790     -1.17314744
  H     -4.71016189     -1.79791614      0.61602266
  O     -4.28813594     -0.99986010      0.27427401
  H     -0.27675564     -5.86614754      0.78699468
  H     -3.54957982     -1.29202086     -0.27833989
          69
 Ord_Energy   -248.355118    
 O   -2.09782100       3.81771183       5.83607960    
 H   -1.25377285       3.57480574       6.20913601    
 H   -2.50448704       4.44376802       6.46122313    
 O   -4.50500202       1.39575863       2.69784617    
 H   -4.52682304      0.520762026       2.31862044    
 H   -4.38907909       2.01377034       1.95423853    
 O   -4.45522738       3.17071581      0.655516148    
 H   -5.34057760       3.55722022      0.630718231    
 H   -3.84941554       3.92263389      0.660578310    
 O   -10.2779350       4.12737513       3.79564404    
 H   -10.2681875       4.68183517       4.58686113    
 H   -9.86778069       3.31049609       4.09602022    
 O   -6.69000292       8.02659416       7.36372757    
 H   -7.14049053       7.41888380       7.95949221    
 H   -7.10092545       7.87669706       6.49929714    
 O   -4.02386522       8.20182514       6.97106075    
 H   -3.69457960       9.01897526       7.33492804    
 H   -4.98068666       8.17911339       7.15480804    
 O   -8.06204128       7.61076784       2.36181736    
 H   -7.15990210       7.48956633       2.04056549    
 H   -8.59599495       6.91124964       1.96594584    
 O   -6.66916466       3.06180739       3.41805363    
 H   -5.97338963       2.41880441       3.23858166    
 H   -6.80089283       3.56722713       2.60451889    
 O   -8.37099171       2.63231206       5.52331829    
 H   -7.81781912       2.75930810       4.73687410    
 H   -7.78908348       2.20484185       6.16131496    
 O   -2.19484043       5.39962959       3.45338702    
 H   -2.09593844       4.77456331       4.17927408    
 H   -2.78354049       6.09015036       3.79125595    
 O   -9.40852833       5.14393759       6.27455616    
 H   -9.09657955       5.39944220       7.15049076    
 H   -9.01966190       4.27462435       6.08923054    
 O   -4.09944773       1.84850323       5.46471977    
 H   -4.12839079       1.66050768       4.51913118    
 H   -3.41310859       2.51614618       5.58788538    
 O   -6.20766544       1.62696564       7.14433575    
 H   -6.11221743      0.816467881       7.63697910    
 H   -5.45101213       1.67018998       6.53044224    
 O   -6.86134052       4.57336092       1.12593877    
 H   -6.37790489       5.37252140       1.38246739    
 H   -7.79920530       4.79926538       1.09755850    
 O   -4.17879868       7.11205816       4.37151146    
 H   -4.70816898       6.34865284       4.65466928    
 H   -4.04829645       7.64411163       5.16384411    
 O   -5.92060566       5.15408611       5.11451721    
 H   -6.62983847       5.81096649       5.04068661    
 H   -6.11588621       4.42198610       4.51768923    
 O   -5.32798481       6.82034302       1.81740034    
 H   -5.00112724       7.05103207       2.69835448    
 H   -4.55351973       6.49524927       1.34101319    
 O   -7.86828995       7.10241652       5.04334402    
 H   -8.03426743       7.34704971       4.12269735    
 H   -8.55947495       6.50341225       5.35574389    
 O   -8.00736046       5.82043457       8.67905426    
 H   -8.16659832       5.66625643       9.60667324    
 H   -7.24218178       5.27323437       8.42945671    
 O   -5.90471840       4.34895086       7.73471403    
 H   -5.89004517       4.65773630       6.81356668    
 H   -5.99631071       3.38958359       7.69196701    
 O   -3.31897545       5.49484158       7.58896637    
 H   -4.17324638       5.10338640       7.81241655    
 H   -3.48634648       6.43001318       7.42087793    
 O   -9.54061127       5.32067966       1.43897450    
 H   -10.3019676       5.34787941      0.865053236    
 H   -9.82838821       4.89141464       2.26275682    
 O   -2.94609785       5.54882765      0.870879114    
 H   -2.22503519       5.88717747      0.347096026    
 H   -2.60887504       5.44577456       1.78004777    
          69
 Energy    -248.35510237254033     
  O      1.79336723      1.17835072      6.38689625
  H      2.28813509      1.94565838      6.07289648
  H      3.86614703     -2.66848320      8.25398976
  O      4.97048917     -1.51477317      1.39853004
  H      2.20835626      0.89947719      7.21853006
  H      6.50499289     -1.52642651      7.24845415
  O      1.79070135      0.75602797      2.07937835
  H      4.09428208     -1.52494335      0.99316989
  H      6.36332976     -0.04345017      7.67763390
  O      0.90656440     -3.09293388      1.71044674
  H      5.02401281     -2.27526045      1.98814191
  H      5.45750096      0.92978091      6.08147503
  O      1.24562945     -3.87748963      6.48642443
  H      0.85211574      0.70025681      2.31771149
  H      4.89713541      2.25611485      6.57101006
  O      5.00676562     -3.76261409      3.23597868
  H      1.95923142      0.11467193      1.37894836
  H      3.64423920      2.99995147      4.57518600
  O     -1.56199341     -2.34900184      2.84522394
  H      0.01594943     -2.87584444      2.01305609
  H      3.39771965      4.17401158      5.54762979
  O     -0.78494256      0.50345059      5.86287212
  H      1.42434842     -3.25417786      2.51086126
  H      4.88344430     -1.89814073     10.57151271
  O     -0.91000839     -2.31590970      5.46725983
  H      1.04274227     -4.70328021      6.91784964
  H      5.36404291     -1.43138446      9.17753478
  O     -0.75907277      0.39618903      2.98617926
  H      2.08103536     -3.55863036      6.87595009
  H      2.34008167     -0.03188828      5.12468779
  O      5.84391139     -2.52638579      5.70578982
  H      4.08296065     -3.66038684      3.52373064
  H      2.35925614     -0.10097493      3.56714882
  O      3.62212949     -3.07048743      7.41235702
  H      5.08945407     -4.64985043      2.89438521
  H      2.00998169     -3.60563844      4.82295947
  O      6.57108735     -0.92774300      8.00372657
  H     -1.34952793     -2.40538124      3.79494367
  H      2.51127027     -2.29178236      4.17294546
  O      5.40336416      1.49218736      6.87009038
  H     -2.44890172     -2.68297349      2.74227338
  H      3.03286755      2.02643359      2.55268183
  O      3.52265839      3.22920227      5.51423864
  H     -1.37755506      1.00446186      6.41774288
  H      4.57082660      2.08166664      2.57160714
  O      4.57924208     -1.69489623      9.69159400
  H      0.11627837      0.78730492      6.09116561
  H      6.79190010      1.05652316      1.59038466
  O      2.66528923     -0.54194459      4.37199234
  H     -0.83291064     -1.38641641      5.71670913
  H      5.64561831      0.02988284      1.76431200
  O      2.44718575     -3.25120292      4.04018876
  H     -0.18197481     -2.78786819      5.88809948
  H      1.81187211     -2.00895183      0.73983502
  O      3.78289946      2.52384625      2.90800470
  H     -0.81751649      0.52187733      3.94114285
  H      2.16652883     -1.42343467     -0.64955872
  O      5.99096354      0.88616048      2.07793191
  H     -1.08570430     -0.49718892      2.82302967
  H      4.07943634      0.90284172      8.06530619
  O      2.36527382     -1.35146177      0.28005914
  H      5.73694023     -1.63870910      5.32864884
  H      3.59375057     -0.18770058      9.03525457
  O      3.30014799      0.58690058      8.54434362
  H      5.74691967     -3.11590793      4.95060845
  H      5.71708936      0.28735985      3.79572669
  O      5.37270684     -0.07070822      4.62153097
  H      4.36347497     -2.91422012      6.81427431
  H      4.42450848     -0.22355269      4.49201646
          69
 Energy    -248.35505237284272     
  O     13.22518341      2.81806282    -11.66361010
  H     13.16762373      1.85498058    -11.62869527
  H     19.51389112      5.22308977    -14.63241177
  O     12.52481930      3.59118167    -14.25873195
  H     12.99667860      3.06788898    -12.57130239
  H     14.99256629      9.46900592    -10.35087621
  O     16.03678047      2.97250552    -11.67274516
  H     11.79872423      4.19025812    -14.04715629
  H     13.93166800     10.55160548    -10.04350882
  O     18.02193066      7.28071916    -12.14493047
  H     13.26256614      4.14262336    -14.55481203
  H     14.38824657      7.22674638    -12.50639349
  O     12.46676536      7.22268536    -14.78071685
  H     16.34026006      3.75634242    -11.19470563
  H     13.74435815      5.99167771    -11.81309072
  O     13.41749325      0.96490534    -14.74988923
  H     15.07133941      2.96655220    -11.61829461
  H     11.62800749      5.48969631    -11.71373053
  O     13.40354442      0.03172500    -12.02351252
  H     17.63422548      6.60707709    -11.56819249
  H     12.52168305      4.42962630    -11.01568051
  O     16.62327352      8.86713762    -10.12122049
  H     18.36261682      6.78524724    -12.89941966
  H     16.28843709      0.37543179    -15.98543516
  O     14.72346155      5.23597229    -14.79604946
  H     13.18392595      6.68978205    -15.13486328
  H     15.12198118      0.93205067    -15.13519875
  O     16.47625170      8.92034952    -13.92392311
  H     12.88905659      7.91827546    -14.25344304
  H      9.85948781      5.84028714    -13.58784496
  O     16.73433721      6.99939480    -15.94147853
  H     13.27399078      0.56041454    -13.88551832
  H     11.31355120      6.27521069    -13.89600676
  O     18.65318197      5.53553260    -14.36225805
  H     12.99513284      1.83300945    -14.71147650
  H     15.86165057      5.78402303    -11.20510276
  O     14.04576569      9.68631073    -10.42830365
  H     13.14288843     -0.78249146    -11.60215579
  H     16.39916620      5.77756531     -9.74604755
  O     14.53980641      6.30345405    -12.26410490
  H     14.37457300      0.01268002    -12.10032920
  H     16.57544464      3.31473007    -13.35243579
  O     12.25331330      5.35891714    -10.98852641
  H     16.52644063      8.19504590     -9.43428852
  H     16.66288525      2.60655343    -14.72681343
  O     16.09166721      0.92163511    -15.22918708
  H     17.21077950      8.49346369    -10.78731610
  H     16.23791584      1.14701208    -12.03201230
  O     10.77102100      5.64239739    -13.39064435
  H     14.68637677      5.63609135    -13.91210604
  H     16.23840728      0.35812736    -13.35327902
  O     16.56918182      5.44011846    -10.63403022
  H     15.43705980      4.58402753    -14.75920655
  H     13.40651238      8.05887288     -9.59050381
  O     16.80624003      3.45222370    -14.28368165
  H     17.02275401      8.46382466    -13.27312174
  H     12.85036007      6.60952240     -9.67243369
  O     16.08872284      0.26629488    -12.40479893
  H     16.56446525      8.40537799    -14.73799978
  H     14.93765143      6.89646568     -8.50897961
  O     13.33516078      7.22489880     -9.10898440
  H     17.48847764      6.55666624    -15.53192091
  H     15.93873688      6.68989783     -7.34479598
  O     15.87988502      6.77400936     -8.29209621
  H     15.97474405      6.44731208    -15.72341271
  H     13.85051281      9.28946940    -12.23053355
  O     13.91312529      8.88280673    -13.10252119
  H     18.07271865      4.75782990    -14.33575926
  H     14.81433500      9.03285792    -13.43561964
          69
 Ord_Energy   -248.354996    
 O   0.842094302       8.70327568       1.46518052    
 H    1.06379139       7.81372023       1.13698435    
 H    1.09807968       9.31865120      0.783367038    
 O    1.95468235       5.89793921       4.42635870    
 H    1.88200259       6.86547041       4.42177534    
 H    2.55633950       5.62297297       3.72484016    
 O   -1.30549443       8.85071182       5.30947971    
 H   -1.59338737       9.58540821       5.84494400    
 H   -1.85375011       8.08772755       5.56849289    
 O   -3.99798226       6.87989998       1.86827898    
 H   -3.71799135       6.26043415       1.18011880    
 H   -3.22902489       7.43269396       2.05864000    
 O    1.45352435       6.18242121      0.660891831    
 H   0.800434649       5.47467899      0.610135615    
 H    2.22191286       5.80146551       1.10377026    
 O  -0.649364889       5.60959244       3.36200643    
 H   -1.04729080       6.45761919       3.12871265    
 H   0.254994631       5.77066422       3.66351175    
 O   -1.99218619       1.83897185       1.66251671    
 H   -2.84783816       1.97189224       1.23661959    
 H   -2.13919544       1.94271851       2.61455441    
 O  -0.423233837       4.75351289E-02   4.71847582    
 H  -0.385948747     -0.841955125       5.05939674    
 H  -0.161435857       2.99320003E-04   3.78109646    
 O   -1.63926888       8.14909267       2.62548304    
 H  -0.853783369       8.43324375       2.14087129    
 H   -1.59066308       8.53322792       3.51095200    
 O    1.51660407       2.14249516       4.75040293    
 H   0.871856749       1.44557965       4.92007780    
 H    1.43285608       2.78901958       5.45965052    
 O   -1.41234040       4.31382179       5.65870857    
 H   -1.23401904       4.75346041       4.81109524    
 H  -0.566098869       4.27252817       6.12007046    
 O   -4.79721260       3.19086885       3.41350198    
 H   -4.07985640       2.75598836       3.89162111    
 H   -4.84656715       4.09695101       3.74154305    
 O    3.45157051       4.89755297       2.24115372    
 H    4.37791443       4.74136877       2.07803559    
 H    3.00287604       4.03665543       2.16882229    
 O    1.25935006       4.33110476       6.54874086    
 H    1.73633671       4.57211065       7.33823252    
 H    1.56528759       4.92557192       5.84084749    
 O   0.251956522      0.224625364       2.07925463    
 H   0.964347243      0.859652460       1.94678319    
 H  -0.552016973      0.665816545       1.76819777    
 O   -3.03282380       4.99586201       6.55157864E-02
 H   -2.12414289       4.74585772      0.258708477    
 H   -3.56394768       4.20152760      0.208889246    
 O   -2.40324140       2.04184723       4.42581987    
 H   -1.82809246       1.29802859       4.64297247    
 H   -2.07373285       2.80426741       4.92303228    
 O   -2.86629176       6.71044731       5.87680817    
 H   -2.40703177       5.87052107       6.00178099    
 H   -3.63900971       6.49903202       5.33721876    
 O   -4.50899649       2.65506363      0.780258358    
 H   -5.30603456       2.28554678      0.411447644    
 H   -4.69859838       2.86748028       1.71304238    
 O   -4.99372244       5.93886518       4.16966200    
 H   -4.66722488       6.28329706       3.31718874    
 H   -5.88809109       6.25592518       4.26759148    
 O    1.37248957       8.53514099       4.28006458    
 H   0.515323162       8.68406868       4.69904995    
 H    1.25335550       8.71105194       3.33780313    
 O  -0.434734643       4.05145121       1.14050102    
 H  -0.976766467       3.25506377       1.23760974    
 H  -0.572417676       4.58347940       1.94149148    
 O    1.88311136       2.67658257       2.10896564    
 H    1.74734151       2.50879216       3.05773354    
 H    1.09056759       3.10727906       1.76406872    
          69
 Energy    -248.35496404568212     
  O     17.43804816      7.53892672    -13.45114834
  H     17.87393071      7.94300646    -12.68586680
  H     11.42520838     10.15835058    -16.15205251
  O     11.67545053     10.71234541    -11.35736123
  H     17.87605139      7.87020452    -14.25138767
  H     16.51627239      8.61996234     -8.66224254
  O     18.45575732      8.73396088    -15.66042908
  H     10.91832032     10.83632106    -10.79215710
  H     17.23093489      7.25759675     -8.62495947
  O     11.43061809      8.59146928    -13.01135173
  H     11.49455215      9.92786292    -11.90806583
  H     14.56050916      9.62621279    -11.95908926
  O     18.51365092      8.71960804    -11.18076616
  H     17.79484060      9.00423654    -16.30828571
  H     13.36348807     10.06763605    -11.05746321
  O     19.33289378     11.14856497    -12.32029251
  H     18.94739494      9.53738624    -15.44597609
  H     19.29096324      5.72016840     -9.31604643
  O     16.61296539     10.23008593     -9.82160298
  H     11.99710664      7.81463871    -12.94378522
  H     18.07120936      6.00227242    -10.22750023
  O     13.13201549      6.27576213    -12.60834904
  H     11.58200965      8.98705150    -13.87970429
  H     15.68743580     11.29221411    -13.44340063
  O     16.45012765      9.93825226    -17.34795713
  H     18.75784154      7.97796508    -10.61391034
  H     14.63540500     12.40822503    -13.45596988
  O     15.02420988      6.50014312    -14.75905884
  H     17.83187296      9.21687375    -10.70451137
  H     16.03391023      6.03709904    -11.10773615
  O     14.30767095      8.82127548    -15.99000506
  H     19.20299324     10.27800036    -11.92190053
  H     17.07275862      6.11430953    -12.23812403
  O     11.98346291     10.05373779    -15.38572569
  H     18.68219584     11.73197840    -11.91217816
  H     14.98313906      9.33780489    -14.33187921
  O     16.39977347      7.69654555     -8.40622522
  H     16.84173158     11.11765554    -10.12170213
  H     16.15918340      8.87149463    -13.44635702
  O     14.22584068      9.63753346    -11.04996080
  H     15.72807497     10.05545244    -10.17652133
  H     19.55568944     11.22461116    -14.01834899
  O     18.69015559      6.40630581     -9.59245689
  H     12.69265483      5.43435584    -12.50007140
  H     20.48916808     11.57288303    -15.20116560
  O     15.58962824     12.25579412    -13.39898389
  H     13.60098404      6.44689929    -11.77544736
  H     17.95221616     11.91371502    -15.54053486
  O     16.84549017      5.62739179    -11.43636864
  H     16.60332040     10.14153332    -18.26677290
  H     16.54123059     12.31094200    -15.04405990
  O     15.44994629      9.52209602    -13.50782823
  H     16.61705050     10.75677562    -16.84536380
  H     14.37585716      7.91100810    -10.62433675
  O     19.62022036     11.24245067    -14.99022027
  H     15.87941235      6.67794727    -14.35210162
  H     15.11604402      7.07969841     -9.57487544
  O     17.05004052     12.09634011    -15.83537460
  H     14.40225040      6.36852367    -14.03163166
  H     17.18208949     13.57330953    -10.93019176
  O     14.58222913      6.99689679    -10.37782919
  H     14.52961797      7.92212515    -15.70220715
  H     16.58915492     12.59535624    -11.97042756
  O     17.18165467     12.65891628    -11.20167273
  H     15.02550550      9.15741982    -16.54235749
  H     12.41198825     11.82168997    -12.76009405
  O     12.83618353     12.14153217    -13.56550278
  H     12.79596641      9.61220329    -15.68815334
  H     12.54490726     11.53564478    -14.25759393
          69
 Energy    -248.35490877700053     
  O     12.82826133     12.55212132    -10.67421164
  H     11.86320149     12.51352060    -10.67972637
  H     16.80719240     13.40914604    -18.21390938
  O     11.09654858     11.91010346    -15.01433068
  H     13.04315049     13.35217872    -11.17472570
  H     13.99395229     15.41711063    -11.82876139
  O     13.59956481     10.14375090    -11.86906529
  H     11.08659745     12.19911577    -15.93460389
  H     13.91057646     14.20010491    -12.78266432
  O     18.76889568     13.72711319    -13.35684874
  H     11.07837374     12.71434535    -14.47428429
  H     11.83600712     14.96488091    -15.09023577
  O     11.36743992      8.50123977    -12.13737641
  H     14.52057934      9.93472751    -11.67097207
  H     12.10408545     14.45008921    -16.51204091
  O     13.54780837     10.72899164    -14.58174094
  H     13.36840563     10.96692576    -11.41524517
  H     14.40213713     12.27304696    -14.05338831
  O     15.53268773     16.07087194    -10.99462155
  H     18.17337888     14.49655229    -13.42255164
  H     15.04743077     13.66033302    -14.38256248
  O      9.72843365     10.61674109    -12.89444066
  H     19.65784624     14.06849509    -13.31996688
  H     17.34698799     11.31857778    -15.15479898
  O     15.17055577     15.03258610    -15.53082427
  H     12.18456908      8.99521245    -11.96894828
  H     18.15460888     12.60042462    -14.79810275
  O     13.94632301     11.69610235    -17.31272129
  H     11.63766382      7.62497023    -12.40104793
  H     12.43289522     12.49936205    -17.58622074
  O     10.99241857     14.20320565    -13.42313949
  H     12.66390932     11.07955173    -14.76917955
  H     11.21189866     12.88548779    -18.45928266
  O     16.28811359     13.27853825    -17.42522579
  H     13.52971240     10.43664090    -13.65854328
  H     16.94927274      9.28258176    -11.00896833
  O     13.37619632     14.80837347    -12.24743253
  H     15.53771256     15.23896688    -10.48877074
  H     16.62327747     10.65693449    -11.64560373
  O     12.42466923     15.07027853    -15.84511626
  H     15.63402238     16.77826823    -10.36318067
  H     15.40167863     10.03936563    -14.65881140
  O     14.86620238     13.02719037    -13.67363502
  H     10.20740838      9.81102303    -12.65443207
  H     16.42372557      9.69976612    -13.56658820
  O     17.76691988     12.10663408    -15.52827873
  H     10.09431094     10.91804682    -13.73537562
  H     16.13887734     12.58278262    -12.51926115
  O     11.57246064     12.95719929    -17.58018947
  H     14.21824732     15.14222322    -15.67620663
  H     17.64287936     12.78014132    -12.24311888
  O     16.35948923      9.72018242    -11.61697848
  H     15.53857600     14.56067284    -16.28860294
  H      9.26341441     12.77679365    -10.63204596
  O     16.34486938      9.92086075    -14.50183557
  H     14.77073208     12.19555427    -17.37610949
  H      9.86696243     11.89526931    -11.75053607
  O     16.84412957     12.37464863    -11.88513252
  H     13.95984584     11.23717092    -16.46653533
  H     16.48538847     15.92813925    -12.67222414
  O     10.03364677     12.67062089    -11.18350101
  H     10.50331443     13.80473390    -12.69310623
  H     16.34146837     15.66815161    -14.19976054
  O     16.98136091     15.74933279    -13.47957341
  H     11.80788817     14.53909726    -13.01995120
  H     15.98560646     13.12641527    -10.42557979
  O     15.41534223     13.60397181     -9.80623542
  H     16.87065159     12.84847996    -16.77134927
  H     14.55724184     13.16673022     -9.84377294
          69
 Energy    -248.35457260939222     
  O      4.45450729     -7.28046891      0.56156773
  H      3.65683595     -7.81808548      0.64689001
  H      2.61619586     -5.19692584      0.87734355
  O      3.01248232     -8.27917424     -3.14766743
  H      4.24879939     -6.45928155      1.02870787
  H      3.90936025     -5.36883853     -2.53015335
  O     -1.34052113     -7.84785122     -1.55979613
  H      2.54056190     -7.60523002     -3.65423682
  H      2.66181810     -5.24950725     -3.46168291
  O      2.11363861     -2.43542801     -1.76713408
  H      3.79551601     -7.84546649     -2.79159477
  H     -0.51705991     -8.33520226      3.29704936
  O      5.10128223     -6.67959635     -1.99734076
  H     -1.98485310     -8.29977605     -2.11955091
  H     -0.61302849     -7.26289988      2.18389930
  O     -0.34667247     -3.79708144     -1.38145080
  H     -0.52446215     -8.36782488     -1.59521745
  H     -1.19197727     -9.90270401     -3.94254896
  O      1.55770965     -6.27444823     -4.51292039
  H      2.53923625     -3.23179172     -2.12593543
  H      0.19888598    -10.00438506     -3.28727355
  O      0.17678464     -3.23207607      2.53070819
  H      2.33929559     -1.71813333     -2.35474190
  H     -1.27964035     -7.49657930     -5.76261166
  O      0.99389806     -9.37940565     -1.69650157
  H      4.92545237     -6.91522739     -1.06881984
  H     -1.74141008     -6.48345210     -4.70181213
  O     -1.89189135     -3.73932847      0.91887374
  H      6.03692681     -6.79639603     -2.13770218
  H      1.22946826     -8.15673238      1.49660090
  O     -0.83996759     -5.70704105     -3.26195739
  H     -0.89475335     -3.61295925     -0.60804219
  H      1.63745665     -7.38693314      0.22204534
  O      3.21802308     -4.98691897      1.60803407
  H      0.37911618     -3.16336401     -1.42527049
  H     -2.70674467     -8.38160064     -4.24480575
  O      3.13151730     -4.82956961     -2.72658884
  H      1.29709418     -6.90511593     -5.19607805
  H     -3.78042788     -9.37448708     -3.73667858
  O     -0.02199838     -7.64851578      2.85857257
  H      0.73525603     -6.03189757     -4.06100394
  H      0.78309600     -5.18316280     -0.68575807
  O     -0.26112924    -10.06793381     -4.13468491
  H      0.56627323     -3.95043753      3.04016229
  H      2.13668786     -5.56803840     -1.30155184
  O     -2.06649550     -7.14948219     -5.32451103
  H      0.90848712     -2.80496058      2.06026094
  H      0.74509663     -8.79167587     -6.87280640
  O      1.76822789     -8.22122436      0.70143126
  H      1.73512852     -9.04608282     -2.22813738
  H      0.26732747     -8.98293695     -5.41582892
  O     -2.89630405     -9.05972927     -3.57133651
  H      1.24607720     -9.21172590     -0.77997406
  H      1.65244023     -5.60254454      4.70618361
  O      1.56196067     -5.73275860     -0.54360160
  H     -1.17925865     -3.53181879      1.55217870
  H      0.94159960     -6.26963055      3.50632850
  O      0.45220007     -8.31517454     -6.10078743
  H     -2.66117009     -3.24950893      1.19513195
  H      2.34715514     -2.28335944      0.13550426
  O      1.45943319     -5.49509115      3.77776325
  H     -0.75221914     -4.92349669     -2.70355487
  H      2.86632895     -3.14853721      1.29672930
  O      2.37762190     -2.33839530      1.09722404
  H     -0.99579898     -6.44952371     -2.66056911
  H     -1.76745541     -5.65725755      0.86411789
  O     -1.56858509     -6.59591484      0.95073463
  H      2.72405232     -5.16775206      2.41770843
  H     -1.56008658     -6.98655254      0.06659008
          69
 Energy    -248.35439914664616     
  O     16.74420254      6.89283766    -12.28270386
  H     16.50989944      6.53169706    -13.14851812
  H     13.90955855     11.93834156    -10.17149559
  O     12.10320433      7.28804331    -11.24127408
  H     16.07966691      6.59811100    -11.64574532
  H     15.88073387      8.46566708    -12.45800505
  O     13.53539271     10.87763179     -8.62816034
  H     12.30103349      7.86889610    -11.99144351
  H     15.84788441      9.91465556    -13.01310042
  O     19.08717784      9.68169688    -14.60512615
  H     11.69464907      6.49431247    -11.60744653
  H     15.77146608     10.38344837    -15.58144218
  O     12.42886962      5.24522282    -14.96380150
  H     12.75389858     10.43291741     -9.00418759
  H     15.23630182     10.53986052    -17.02003421
  O     15.93120245      6.11850540    -14.81641496
  H     13.30996820     11.12886321     -7.73684121
  H     12.99872594      4.29984971    -11.89425926
  O     12.77853850      9.06873958    -13.23663108
  H     19.93235678      9.83928849    -15.01731536
  H     14.27889252      4.80358189    -11.19630322
  O     17.77250581     10.59471117    -10.30306794
  H     18.62689160      9.01796282    -15.14981730
  H     17.12796887      7.24597759    -15.69559698
  O     14.73445568      3.65450646    -14.32648016
  H     12.77917574      6.09072511    -15.27031106
  H     16.83950776      8.60862852    -16.35001547
  O     15.45004642      9.10414639     -9.65269660
  H     13.18354209      4.64553333    -14.90470280
  H     11.36491791     10.26087866    -10.69322658
  O     18.90890658      8.67378747    -11.92544738
  H     15.14961533      6.66055876    -14.99673959
  H     11.60301756      8.80166067    -10.24535623
  O     13.92968445     12.32737420    -11.05537817
  H     15.62644674      5.20654397    -14.73206225
  H     13.77255456      6.76270685    -10.67353650
  O     15.36426556      9.28379016    -12.46889832
  H     13.69827301      9.17281293    -12.93999793
  H     15.02020636      7.27053435     -9.93921162
  O     15.39306104      9.89695524    -16.33216854
  H     12.32057203      9.89101208    -13.02535993
  H     11.61423629      5.07401583    -13.42180745
  O     13.93794953      4.10994593    -11.77431363
  H     18.27577945      9.95129937    -10.82508939
  H     10.47314345      4.44357579    -12.58731280
  O     17.55647309      8.01859268    -16.08763185
  H     17.08558035     10.08377114     -9.85883549
  H     17.12112594     13.37970536    -11.57119509
  O     11.46876097      9.69997758     -9.91480335
  H     14.96775693      2.73873034    -14.44984280
  H     17.11989202     11.86790620    -11.24031474
  O     14.67134057      6.50754225    -10.41862541
  H     14.52004436      3.76739471    -13.38257112
  H     13.28805459      8.17628486    -14.69010879
  O     11.28624424      4.93585810    -12.51514862
  H     15.36441192      9.28327432    -10.60148396
  H     14.22236829      8.44735150    -15.87885160
  O     16.70699342     12.55196445    -11.80053921
  H     14.81636797      9.67806853     -9.20463740
  H     12.48754160     11.80288244    -11.86445682
  O     13.72955936      7.74547586    -15.43795556
  H     19.06538916      8.97440714    -12.82770145
  H     11.11169919     12.14402055    -12.48796841
  O     11.67151973     11.41646852    -12.23219102
  H     18.26748218      7.95370913    -11.99372644
  H     16.72663217     11.71151988    -13.44272058
  O     16.69868051     11.08087556    -14.17473473
  H     14.85575039     12.40238608    -11.31007348
  H     17.58403034     10.70130243    -14.27201707
          69
 Energy    -248.35439082127442     
  O     19.20488022      9.24812923    -15.54373572
  H     19.65456621      8.40993819    -15.35766156
  H     20.76493101      6.55961605    -14.04025302
  O     21.51389211      5.99313061    -12.44951294
  H     19.42570614      9.82127310    -14.80222903
  H     15.59092939      8.96645861    -15.23280646
  O     16.11016278      9.26949813    -10.11894475
  H     21.29706066      6.84491921    -12.02985185
  H     15.82446435      9.54791196    -13.82048757
  O     13.05977592     10.71219761    -13.27618622
  H     22.41812760      5.79994305    -12.21599688
  H     18.65418195      6.94014880    -13.59237033
  O     16.83464282      8.33323569    -16.50243941
  H     15.40961384      9.93767479    -10.12812148
  H     17.24860785      6.40575549    -13.17392525
  O     11.71813030      8.33820843    -12.39194588
  H     15.64028794      8.42371256    -10.15562891
  H     14.65077635      6.26275887    -13.30739110
  O     18.39128729      7.58808040    -10.24589080
  H     12.79304411     11.46567009    -13.79751973
  H     14.44596020      7.77526989    -13.58629365
  O     14.53303079      6.96836640    -10.34198600
  H     13.76056975     10.26394232    -13.77685860
  H     19.55584684      4.05683089    -14.93544064
  O     19.72362192      3.83566993    -13.22224078
  H     16.76765992      8.59049775    -17.41927937
  H     19.92573006      3.65820920    -16.38641584
  O     16.75962646      5.28958497     -9.92582087
  H     17.67116943      8.70678906    -16.17200283
  H     13.56045900     10.80716393    -11.38276880
  O     17.31580476      3.41877654    -11.78921062
  H     12.39973164      7.72269318    -12.69745220
  H     13.20413234     10.04334984    -10.09686966
  O     20.16664230      6.79907123    -14.76000369
  H     11.99040085      9.19876802    -12.73426620
  H     20.53011588      9.13829150    -11.96800833
  O     15.13215732      9.29791568    -14.45179536
  H     17.72924299      8.26008116    -10.03654283
  H     20.04267567      8.19482798    -10.84480862
  O     17.92513597      7.06436081    -12.97422323
  H     18.24272953      7.33686384    -11.17174546
  H     19.82923802     11.48206583    -12.81218326
  O     14.09286058      7.02448139    -13.09305389
  H     14.39645504      6.96549882    -11.30083313
  H     18.76236375     10.36430880    -12.84033180
  O     19.49521461      4.33292006    -15.86898441
  H     13.73591119      7.35491709     -9.95918040
  H     16.25233990      5.09474513    -14.51406077
  O     13.79629904     10.71891480    -10.45180840
  H     18.94952105      3.69986025    -12.66171334
  H     16.37931175      4.40515792    -13.09402300
  O     20.79452574      8.38937853    -11.42220079
  H     20.27274579      4.50604488    -12.79912859
  H     16.93137795      6.39611009    -16.28005190
  O     19.69724160     10.56070824    -13.02281773
  H     17.42757539      5.97975939     -9.83289481
  H     17.78594310      5.09676401    -16.16606436
  O     15.97404073      5.12818372    -13.58514189
  H     15.91554928      5.75628107     -9.99065567
  H     11.40393681      8.32617396     -9.18428186
  O     16.88794797      5.44696764    -16.11332138
  H     17.07019859      2.56121156    -11.45216272
  H     11.90553749      8.36893474    -10.64831743
  O     12.18718899      8.42976635     -9.71747599
  H     17.12853261      4.06133094    -11.08081006
  H     16.77046877      9.63554017    -11.74225544
  O     17.14435003      9.66094799    -12.63394291
  H     20.00436519      5.99422626    -15.26831393
  H     17.42482694      8.75425086    -12.84107481
          69
 Energy    -248.35438958376193     
  O      3.60706496     -4.56060113     -3.14273494
  H      4.38773126     -4.38142452     -2.59036121
  H      3.33930635     -0.61986070      3.56210887
  O      0.56774096      0.81597065      0.08920599
  H      3.93190718     -4.77084581     -4.01492160
  H     -0.04008280     -6.79710466     -1.42288768
  O     -0.72855049     -3.71511248     -1.40193834
  H      0.37691172      0.18276870     -0.62706406
  H     -1.57876222     -6.72953178     -1.47547714
  O      1.99595366     -4.49110480      4.41610161
  H      0.08422620      1.61229842     -0.11275754
  H      3.08799909     -5.55005500      1.42657532
  O      4.75799457     -2.41212728      1.68184960
  H      0.02373174     -4.30557543     -1.54538120
  H      1.54137708     -5.69255706      1.45417755
  O     -3.22527255     -5.37758543      0.96331369
  H     -1.52008054     -4.20648467     -1.65550083
  H     -1.01102299     -3.51960194      0.39189998
  O      0.13705409     -5.49503462      2.61449899
  H      1.86928770     -4.87468728      5.28140180
  H     -0.80710498     -2.62247194      1.63679841
  O      0.17423192     -1.05926088     -1.81732490
  H      1.30372789     -4.86493550      3.84716002
  H      3.59693977     -4.82548576      3.37452625
  O      5.01820543     -1.14702450     -0.78732383
  H      4.68957761     -1.64076059      2.25972821
  H      4.59414665     -4.12554759      2.43177798
  O      2.73420676     -2.05786025     -2.13142087
  H      3.86737775     -2.54489540      1.31804091
  H      0.37291463     -0.47788227      1.41145749
  O      2.25368280     -2.85109554      0.54464027
  H     -2.74863199     -6.15868584      1.26944544
  H      1.08160928     -1.84949584      1.44120805
  O      4.05783074     -0.12028672      3.13413528
  H     -2.67942916     -4.62133584      1.22071359
  H      2.05087791     -2.56910388      4.28655152
  O     -0.84180325     -7.24576710     -1.12533443
  H     -0.33001974     -4.74224320      2.22128925
  H      1.36039194     -1.45370113      3.47227499
  O      2.30415133     -5.63109596      0.86355435
  H     -0.36799449     -6.28370203      2.37865317
  H     -1.15177059     -7.50402636      0.57725874
  O     -1.20519804     -3.45015971      1.33810047
  H     -0.27924061     -1.90358717     -1.70369255
  H     -1.57889734     -8.46605504      1.71071078
  O      4.24863933     -4.99305522      2.68161807
  H      1.07471604     -1.29565935     -2.08202772
  H     -3.17310682     -5.39337480     -0.79558859
  O      0.42940972     -1.30209653      1.90934172
  H      5.10657403     -1.62501238      0.05045292
  H     -3.77923026     -5.41241944     -2.22084265
  O      2.04011198     -1.61656782      4.14255521
  H      4.54347899     -0.33994897     -0.53439994
  H      2.48702216      0.82355069      0.30514671
  O     -1.39655093     -7.55011265      1.51925380
  H      3.54859408     -1.67037025     -1.78183171
  H      3.58807079      0.54948238      1.35294675
  O     -2.95377693     -5.41263341     -1.74461230
  H      2.97561961     -2.86195367     -2.60540104
  H      2.10154375     -5.31993057     -2.28222792
  O      3.44149573      0.75049810      0.42044758
  H      2.23026862     -3.81422684      0.60528446
  H      1.75975233     -5.69243219     -0.81952389
  O      1.37505066     -5.57232102     -1.70190467
  H      2.32426778     -2.61070627     -0.38768114
  H      5.60790020     -2.81993384     -1.41428503
  O      5.69342275     -3.77444636     -1.55483073
  H      4.44118100      0.43852881      3.80470640
  H      5.99434514     -4.13209268     -0.72064870
          69
 Energy    -248.35411667127374     
  O     17.87294849      7.96099943    -10.69692790
  H     17.31632119      7.35619072    -10.18867308
  H     15.24032620      4.62156185    -13.20864013
  O     11.51379906      9.11307134    -11.48008146
  H     18.17184859      7.45680951    -11.46214926
  H     13.73683343      8.06446812    -13.64824989
  O     12.29034387      3.97491780    -12.42902016
  H     10.83974878      8.43576368    -11.35258079
  H     15.29497923      7.86009552    -13.67315153
  O     13.79798441      5.98113963    -16.28691612
  H     11.67926951      9.15842339    -12.43276236
  H     16.76398223      9.34045093    -11.07006894
  O      9.92845612      6.75752985    -10.95498354
  H     12.31912166      4.51073403    -11.62543650
  H     15.24331977      9.54961999    -10.96304501
  O     14.16543041      4.31715497     -8.49440101
  H     13.05382129      4.24004929    -12.96447593
  H     13.03545909      0.80425035    -12.42507883
  O     16.55329703      4.65944936    -11.88573911
  H     12.87738985      6.23128834    -16.13738127
  H     12.82413486      2.27734180    -12.04073851
  O     15.46853460      8.00232084    -16.93221712
  H     14.06079409      5.43493890    -15.53505062
  H     13.04464680      8.53620434    -10.79320591
  O     11.15359014      6.88053991    -15.72602818
  H     10.71054018      6.32130164    -10.57890953
  H     14.17979557      7.82650048    -11.56913791
  O     14.21654469     10.25071530    -15.62297122
  H      9.22830113      6.66279652    -10.31340743
  H     10.90353239      4.89848975    -13.24561815
  O     12.26760958      8.97304708    -14.20117641
  H     14.16178931      3.93173274     -7.62299542
  H     10.01507824      6.04024201    -12.73249036
  O     14.50519881      4.89068209    -13.77391217
  H     14.55910405      3.65686454     -9.09535901
  H     12.87106334      5.16868820     -9.51226223
  O     14.47267646      7.56528276    -13.26655564
  H     16.28156697      5.22469518    -11.14832529
  H     12.87274941      6.47534393    -10.34187342
  O     16.04606775      9.94645403    -11.31082012
  H     17.26446117      5.13612946    -12.33085067
  H     15.83024192      3.16451975    -10.90729123
  O     13.28381716      1.46319506    -11.78186233
  H     15.69005414      7.93558270    -17.85699335
  H     14.65578310      2.15092317    -10.80604196
  O     13.86970875      8.04094998    -10.67328114
  H     14.86702488      7.26191683    -16.73380111
  H     16.21804196     10.59205374    -12.89688900
  O     10.28304757      5.58062920    -13.53645862
  H     10.80294779      6.39371880    -14.95809091
  H     16.83970543     11.68541269    -13.79618149
  O     12.36353476      5.67438971    -10.16034068
  H     10.45331808      6.91399952    -16.37245419
  H     15.35170611      5.66315173     -9.12722289
  O     15.28876466      2.66507388    -10.28447402
  H     14.90809925     10.56358630    -15.02634801
  H     15.16861656      6.98104448     -9.91585774
  O     16.37840718     10.85154061    -13.82285601
  H     14.62017637      9.56228898    -16.16573764
  H     19.25538945      6.32101967    -13.50032837
  O     15.81420677      6.29739114     -9.68744741
  H     11.83129613      8.33808496    -14.78268851
  H     17.90341155      7.05191092    -13.66346134
  O     18.39771447      6.43511248    -13.09813223
  H     12.83259878      9.54164523    -14.74669231
  H     16.87754861      9.16552760    -14.35063602
  O     16.91676885      8.22417069    -14.56955246
  H     14.41234034      5.84380654    -13.61489710
  H     16.52373231      8.11322213    -15.44625074
          69
 Energy    -248.35409391919646     
  O     12.18832432     12.48427929    -13.71078908
  H     12.12740652     13.39274095    -14.02327057
  H     16.94467932     15.65737979     -8.68054533
  O     12.27729033     15.12861854    -14.83354262
  H     11.61807336     11.94291588    -14.28137932
  H     15.32340090     12.94632464    -16.05257484
  O     14.53436189     11.75840884    -15.01785524
  H     12.63445320     15.04326950    -15.73164980
  H     16.29579771     14.14820657    -16.03101559
  O     16.64382150     10.51526012    -13.54897317
  H     11.46452125     15.62430386    -14.90695700
  H     13.75692236     15.47130683    -13.76043352
  O     10.82076578     11.02053748    -15.53218808
  H     15.18224753     11.34957751    -14.43346642
  H     15.31309913     15.35071117    -13.78917757
  O     13.74564681     10.47157404    -17.38863138
  H     13.75129906     11.98369326    -14.49978569
  H     16.57022936     13.19355487    -12.07632513
  O     15.11194511     13.79438690    -11.13287008
  H     16.10558127      9.96604654    -12.96299575
  H     17.23549238     12.09400773    -12.94430466
  O     16.05392799     17.39500256    -11.71061662
  H     16.87434377      9.98157622    -14.32077692
  H     13.53501479     15.38105695    -18.10980320
  O     16.97738630     14.96035119    -14.54268285
  H     11.15350106     10.13353156    -15.71031257
  H     14.28321974     14.40987906    -17.16824214
  O     18.30899434     17.04821366    -13.19832731
  H     11.00664527     11.54304917    -16.32661466
  H     12.88967348      8.32024693    -15.63905971
  O     16.91467195      9.03923394    -15.88919689
  H     13.18256970      9.71958869    -17.16919310
  H     11.72467359      7.67634347    -16.42667691
  O     16.69063509     15.56303251     -9.59436759
  H     13.98879126     10.87081184    -16.53823880
  H     14.73814932      8.54191068    -11.31202341
  O     15.75562498     13.60516897    -16.62061461
  H     14.79675588     14.39162429    -11.82728967
  H     14.28432676      9.91447799    -11.86467186
  O     14.55337456     15.55042986    -13.22416480
  H     15.54718612     14.34568965    -10.47095100
  H     16.43126866     11.93303733    -17.51630629
  O     17.34284109     12.99995948    -12.62642838
  H     16.19102542     16.90485420    -10.89026509
  H     15.50306739     10.75712758    -17.85227452
  O     13.42056379     14.82292891    -17.34458943
  H     15.39741195     16.89072133    -12.21069316
  H     14.44616925      8.39973014    -13.83722577
  O     12.11843214      8.51472380    -16.20123462
  H     17.16748405     14.22611041    -13.93833644
  H     15.20753624      8.37123656    -15.18370133
  O     14.74924849      9.08809195    -12.09301678
  H     17.50558123     15.70919900    -14.24106583
  H     12.46745987     11.76968948    -17.80552811
  O     16.43602859     10.99520169    -17.73735336
  H     17.52274264     17.28107815    -12.67213530
  H     12.25275248     13.28117334    -17.67761898
  O     14.38031583      8.11797380    -14.75799403
  H     18.76540932     17.86277962    -13.38973584
  H     18.46551951     14.19060062    -11.71013617
  O     11.77847048     12.44727002    -17.74954144
  H     17.57548577      8.43949858    -16.22560820
  H     18.80782367     15.68044277    -11.90572332
  O     18.77902037     14.97856735    -11.24417066
  H     16.79858202      9.73066348    -16.56385182
  H     14.11817348     12.22065067    -11.27437010
  O     13.60354624     11.45401246    -11.55639246
  H     17.50058652     15.35162084    -10.09295970
  H     12.97749390     11.78642504    -12.21447051
          69
 Energy    -248.35402343992689     
  O     12.67843036     14.17907124    -13.22863568
  H     12.87729681     13.88650779    -14.13037562
  H     16.47499609     13.16970224    -16.67779134
  O     15.81863547     10.18053763    -17.33180080
  H     11.93765543     14.77859062    -13.29768059
  H     14.05542936     13.21008744    -16.20958378
  O     14.91757787      8.61257922    -11.55902142
  H     15.13660740      9.54229216    -17.09215351
  H     12.60685449     13.56010629    -16.60788329
  O     13.99379945      8.45174136    -15.96096049
  H     16.51591614     10.06605234    -16.67132112
  H     17.99902004     11.72556649    -11.74214444
  O     14.09124849      5.93283627    -11.27229312
  H     14.72060241      7.70331936    -11.30279208
  H     18.09319845     13.03612128    -12.54286592
  O     14.77774508      5.42583411    -13.85654246
  H     14.06608227      9.03240396    -11.75436723
  H     13.26081924     12.43892734    -10.52325176
  O     15.63125075     11.59216311    -13.68571480
  H     13.35776297      7.73527911    -15.84638198
  H     12.50504247     12.86128708    -11.79643466
  O     12.47921170      9.76204071    -12.20607469
  H     14.71310492      8.26424910    -15.33903410
  H     16.84828755     10.64144094    -14.61753845
  O     16.00099015      7.93793304    -14.08531732
  H     14.36967995      5.64832929    -12.16150894
  H     18.34641198     10.48529999    -14.96864865
  O     19.73281259     11.73093143    -14.61140979
  H     14.21272100      5.18614759    -10.69267602
  H     12.07857009      6.60408420    -14.25970149
  O     13.15213169     10.73460948    -14.67392039
  H     15.35549728      6.18461411    -14.02174414
  H     11.62921520      5.80715110    -15.50688098
  O     15.58307300     12.89736452    -16.91196921
  H     13.99131421      5.57645100    -14.39508158
  H     15.05420049     13.30108737     -8.90594538
  O     13.14689022     13.29825774    -15.86645858
  H     15.79931768     11.33077503    -12.76969690
  H     15.02638878     13.64297280    -10.41569025
  O     18.61968305     12.29362138    -12.21631578
  H     14.75329677     11.28936398    -13.94357447
  H     17.34212190     14.15698560    -14.45059121
  O     12.48251149     12.24128297    -11.05793740
  H     12.61622496     10.06730487    -13.11470831
  H     16.36114237     13.22579008    -13.71037454
  O     17.48818522     10.06039567    -15.05919195
  H     12.37685661     10.56464096    -11.67571978
  H     15.94875235     10.05383225    -11.09269850
  O     12.35094295      6.31768798    -15.15035323
  H     15.69447239      8.23351859    -13.21729123
  H     15.89739426     11.52223822    -10.54302919
  O     14.95396604     12.91475705     -9.77185548
  H     16.67023830      8.56470356    -14.38933390
  H     12.44418754      6.64676992    -12.03330702
  O     16.87749623     14.04362009    -13.61526161
  H     19.40818401     11.89353395    -13.70617946
  H     11.88017410      8.02759544    -12.41980080
  O     16.39610231     10.91135230    -11.10254682
  H     20.65083686     11.48567277    -14.53603385
  H     14.20909218     14.69326062    -12.22656530
  O     11.79729764      7.08106959    -12.60181338
  H     13.03733406     11.52346537    -15.21448495
  H     15.74177031     14.70657353    -12.34157461
  O     15.01635621     14.80382907    -11.70916179
  H     13.39107473      9.99011991    -15.24496820
  H     18.84555769     14.15848795    -16.63399460
  O     18.27029355     13.66116932    -16.05689160
  H     15.63879531     11.96052839    -17.15705247
  H     18.82095587     12.98366424    -15.63494245
          69
 Energy    -248.35389833624652     
  O     13.51622745     11.12753646    -11.25778086
  H     14.46776161     11.01772166    -11.42765995
  H     16.75432492      9.27320770    -15.66798690
  O     15.35689980      8.02277681    -15.51500142
  H     13.43712606     11.67575660    -10.48133024
  H     17.88640247      4.12157596    -13.76953810
  O     14.82436211      4.79218605    -12.15394691
  H     15.35958886      7.05925285    -15.42548105
  H     18.61186583      3.88986083    -15.12039006
  O     18.92586983      5.50325168    -10.61716579
  H     14.46945942      8.32291941    -15.27035743
  H     17.89619824      6.86095287     -9.69443878
  O     15.93900242     12.16048818    -14.52055833
  H     13.91752484      4.46269961    -12.17874368
  H     17.81758068      8.37971432     -9.91936904
  O     10.91782416      6.45230395    -12.46699451
  H     14.84408899      5.55299292    -11.55700082
  H     17.10231883      7.68795387    -12.85427340
  O     12.88690527      8.75978108    -14.49214336
  H     18.92407599      6.01324005    -11.44581192
  H     15.95419986      8.12733057    -13.80931619
  O     14.98387186      7.16045914    -10.72932947
  H     19.83851003      5.41758492    -10.35089071
  H     12.48155935      4.33053103    -14.35942706
  O     19.49932977      9.30223152    -13.84250499
  H     16.00843308     13.07273420    -14.78886302
  H     13.61169935      4.86259489    -15.26351004
  O     11.00984071      6.86993235    -15.31427858
  H     14.98801044     11.95647665    -14.46685407
  H     13.10831981     10.60146745    -14.38581976
  O     18.72684091      6.78619235    -13.04246483
  H     10.78366487      6.66062787    -13.39963051
  H     13.23926498     11.50719659    -13.15057211
  O     17.42678909      9.94247087    -15.48398231
  H     11.44380618      7.17635294    -12.10114375
  H     17.88101233      4.15406509    -11.50301486
  O     18.10924912      4.53190299    -14.62682363
  H     12.19616930      8.19789854    -14.86540989
  H     16.46313538      3.94125664    -12.08154110
  O     17.37846544      7.64320931     -9.47158709
  H     12.88692456      8.60313956    -13.53723020
  H     16.30495828      5.01193282    -14.95514120
  O     16.25843699      8.15480184    -12.89422194
  H     15.35852475      7.51390937    -11.55338837
  H     15.19139524      5.21614125    -13.90733065
  O     12.65767275      4.71737393    -15.22646715
  H     15.68821443      7.29327353    -10.08025256
  H     11.60462127      3.37209176    -12.07461004
  O     13.34342439     11.49793487    -14.10981520
  H     20.27882754      9.73495450    -14.18024059
  H     11.67128092      4.88441676    -12.40032305
  O     17.38607727      3.66409437    -12.17121703
  H     18.76768840      9.54440991    -14.43813031
  H     18.97254894      9.60794586    -11.88751676
  O     15.39878947      5.32304845    -14.84793676
  H     11.59150233      6.09012818    -15.37015510
  H     17.78626923     10.28587647    -11.20890698
  O     12.14971286      4.03961064    -12.48189681
  H     10.35876870      6.78049988    -16.00446266
  H     12.87213390      9.37470906    -11.46234099
  O     18.56052820      9.73736121    -11.02695614
  H     18.60311269      6.12403770    -13.73411807
  H     13.45128612      7.95675894    -11.24492728
  O     12.74732680      8.44666882    -11.69460506
  H     19.12526265      7.58178756    -13.42109247
  H     16.18753512     11.33801123    -12.84062655
  O     16.13129288     10.79474960    -12.04457524
  H     16.94317511     10.74401903    -15.24825521
  H     16.19732589      9.87137740    -12.33527233
          69
 Energy    -248.35367425098428     
  O     -7.94350839      2.59715254     -0.50047543
  H     -7.21226953      3.14287077     -0.84634719
  H     -6.46375457     -0.35807139      1.93502947
  O     -3.86421373      3.27471731     -3.36955899
  H     -8.74226986      3.10495543     -0.61301405
  H     -0.73886825      0.97740810      1.90186805
  O     -6.58844038      1.38707575      1.58231230
  H     -4.10702070      3.53088385     -4.25602057
  H      0.25520311      2.14436604      1.93147499
  O     -3.52133567     -0.73753410      1.89352472
  H     -4.19277944      2.36637849     -3.24045295
  H     -1.71106427      2.78332463      1.11989239
  O     -1.32093499     -0.11514049     -1.66674273
  H     -6.24833639      2.04469834      2.20441564
  H     -3.02229494      2.44706930      0.34867827
  O     -4.74206619      0.79234428     -2.77662686
  H     -7.15636538      1.83208877      0.93838299
  H      0.89356879     -0.82077798      1.00186587
  O     -6.18382812     -1.74309440     -0.79162961
  H     -3.68822757     -0.11574779      1.16697979
  H      2.27914876     -1.38541031      1.38646419
  O     -3.54572502     -1.66220787     -2.11961753
  H     -4.37714572     -1.13626824      2.08695160
  H      1.97469771      1.20080539      0.93234981
  O     -1.44246123      2.69069050     -2.07016163
  H     -0.39011893     -0.29005331     -1.87430960
  H      1.66933694      2.38800138      0.00465885
  O     -0.90736978     -0.67787906      1.04666495
  H     -1.46607780      0.82532953     -1.82902996
  H     -7.09234057     -0.41413001     -1.67337219
  O      1.39074425     -0.25646733     -1.94955648
  H     -5.70292951      0.68013427     -2.69152401
  H     -7.66361408      1.03633502     -1.60815870
  O     -6.26364955     -1.30277323      2.05422521
  H     -4.34553399     -0.08524804     -2.73549112
  H     -2.20895561      1.79178064      3.30163521
  O     -0.61778979      1.87216549      2.24834604
  H     -6.16607924     -1.71030108      0.17138605
  H     -3.27547711      0.69970599      3.13126060
  O     -2.32560848      3.11411283      0.45256199
  H     -5.26740955     -1.79319546     -1.08570272
  H     -4.44969273      1.05570265     -0.91619604
  O      1.84705714     -0.74126427      0.83131067
  H     -2.72005594     -1.18202146     -1.94042206
  H     -5.08257579      1.31253462      0.48036527
  O      1.78591837      2.14767449      0.93163430
  H     -3.30722140     -2.42581873     -2.64048684
  H     -4.83334720      4.31668317      1.81709073
  O     -7.34256351      0.35498755     -2.20899548
  H     -1.68621027      2.93943578     -1.16407834
  H     -3.65733558      4.35417499      0.83447686
  O     -3.11142305      1.55434276      3.54929597
  H     -2.17895182      2.96367344     -2.62943035
  H     -5.16385124      3.90907635     -1.99213790
  O     -4.24620843      1.16699488      0.01923999
  H     -1.76186289     -0.90254408      1.43834783
  H     -5.39533293      4.37805755     -0.53206500
  O     -4.53118256      4.73361112      1.00254846
  H     -1.07808092     -0.46650551      0.11748095
  H     -4.48160521      2.61831954      3.42936266
  O     -5.84339738      4.05103247     -1.32765720
  H      1.70452836     -0.50556265     -1.07092539
  H     -5.49017254      3.54885391      4.14256195
  O     -5.28704558      3.15127664      3.29996750
  H      1.51148337      0.70057579     -2.01098540
  H      1.72374644      3.28770784     -2.40576778
  O      1.31055255      2.60174480     -1.88690473
  H     -6.94283820     -1.66022430      2.62017210
  H      0.35223120      2.69607474     -2.01462859
          69
 Energy    -248.35361227627141     
  O     15.00621044     13.30466691     -9.29831452
  H     15.89224791     13.33893159     -8.91451201
  H     11.56747492     14.31026095    -12.88498702
  O     16.96301562      8.95893460    -11.18263424
  H     14.61080114     12.47078633     -9.01242043
  H     20.99695224     13.19956913    -12.32854750
  O     16.52984532     16.22168068    -11.91870490
  H     17.46351276      9.70060933    -11.55773256
  H     19.58325479     13.67805252    -11.91772931
  O     14.43317732     10.88743909    -15.25642318
  H     16.94259128      8.29032441    -11.87704594
  H     13.50298652     10.35308078     -7.95937405
  O     16.72283845      7.53686804    -13.63287411
  H     16.48466408     15.67107239    -12.72056809
  H     14.05519959     10.19066805     -9.39439171
  O     15.86062308     12.52274226    -11.87991483
  H     16.73125469     17.10871993    -12.20695926
  H     18.54759172     12.20157242    -16.17671559
  O     14.17455649      9.37249346    -10.95271205
  H     15.34735447     10.59938077    -15.13719571
  H     18.21698087     11.73288709    -17.60436938
  O     17.07437203     10.01680766    -14.76512616
  H     13.90942578     10.10409604    -15.48305637
  H     13.24545543      8.14735413    -14.67934866
  O     18.76833982     13.55161864    -15.05901959
  H     17.25183427      6.88035292    -14.07887940
  H     12.27747011      8.06473470    -15.87297527
  O     13.50229003     11.35908675    -12.71835169
  H     16.83939117      8.36873523    -14.12348710
  H     16.05017648     10.42790136     -8.53580625
  O     14.08894533     13.70467733    -15.29275917
  H     15.06649791     12.08790236    -12.21856433
  H     17.09205880      9.79946708     -9.47685500
  O     12.44407108     13.93544750    -12.90586410
  H     15.63442479     12.85056867    -11.00243932
  H     18.26973623     14.05569432    -10.02385795
  O     20.07251164     13.11551930    -12.54492253
  H     15.13138361      9.26571478    -11.05485912
  H     17.88214652     15.14500574    -11.06421836
  O     14.14148050     10.70578329     -8.57361306
  H     13.87862421     10.04701947    -11.58422371
  H     17.35108911     11.66135806    -12.17298156
  O     18.35486510     11.41487268    -16.71624472
  H     17.46676267     10.42969224    -13.98370927
  H     18.87827244     11.69557402    -12.46637107
  O     12.99562103      8.57814728    -15.51409209
  H     17.52373358     10.40236321    -15.53214662
  H     14.78631160     15.67330763    -11.31726321
  O     16.99520100     10.40407079     -8.73078966
  H     17.92742681     13.90291830    -14.73660194
  H     14.21610097     14.64064309    -10.33120464
  O     18.58609430     14.54442805    -10.79333861
  H     19.31960616     13.44210685    -14.27592882
  H     14.86236302      7.40880145    -13.32858358
  O     18.11465498     11.11104579    -12.41042311
  H     13.00825821     12.18852163    -12.74152574
  H     13.84729460      8.00232310    -12.33608871
  O     13.96946264     15.23274376    -11.05459879
  H     13.75915001     11.14621987    -13.62810599
  H     18.14229408     13.15296552     -7.71097469
  O     13.91606367      7.50204058    -13.15665933
  H     14.17324244     12.75031661    -15.42735920
  H     17.55250387     12.06570788     -8.63744415
  O     17.69563193     13.02445698     -8.54422378
  H     13.44498241     13.82321310    -14.58411590
  H     16.22279750     13.72859986    -13.19653747
  O     16.33944020     14.37934015    -13.90363535
  H     12.97574076     14.43558679    -12.26197309
  H     15.59393155     14.25233223    -14.50822586
          69
 Energy    -248.35327183074935     
  O     12.74394599     13.00704206    -12.97957429
  H     13.45723295     12.82376899    -13.61250590
  H     17.32398651     11.12679827    -17.25725498
  O     19.21220317      9.67416827    -12.33912405
  H     12.78319972     13.94311290    -12.80118520
  H     12.97642178      8.96330970    -16.83060708
  O     15.81842645     10.55270568    -11.63360421
  H     19.09544331      9.56991876    -13.29447605
  H     12.16571154      9.31883725    -15.55569076
  O     14.53208658      7.49576078    -14.70065006
  H     18.89651592     10.56061146    -12.13224201
  H     16.84073925      9.73249537    -14.51052796
  O     14.87932254      6.07321018    -12.34942958
  H     15.86514644     10.25240698    -12.55578234
  H     15.47099653      9.00330754    -14.42738310
  O     18.57767977      7.39650959    -11.03914411
  H     16.51569308     11.21120553    -11.54477360
  H     12.92787969     11.14762624    -16.95563083
  O     14.72110951     12.30515337    -14.80338342
  H     14.78395981      6.90968553    -13.97720417
  H     12.76397705     12.47350163    -17.73772082
  O     18.16494812      6.79820243    -15.73185473
  H     13.70721832      7.92215060    -14.42324594
  H     12.93139434      9.12790548    -10.56372468
  O     15.86840691      7.99544752    -10.56664522
  H     13.92503584      6.02334764    -12.22063699
  H     14.00616050      8.14412302    -10.05277240
  O     15.79348844     10.54361212    -17.83443239
  H     15.20321100      6.73599215    -11.72037574
  H     18.56534358     10.04578814    -15.75051746
  O     17.55893544      5.86303566    -13.23039623
  H     19.31341349      7.14435707    -10.48791690
  H     18.46626763      8.51800311    -15.37431619
  O     18.17733681     11.43947039    -16.90616555
  H     18.83116862      8.22655985    -11.48286245
  H     16.48104684     12.89980746    -14.62834835
  O     12.34225187      9.59241020    -16.46436274
  H     15.08951798     11.42103457    -14.65611806
  H     17.79020774     12.50486050    -15.32495431
  O     15.91499798      9.84254557    -14.25728224
  H     14.27185112     12.28279838    -15.65779351
  H     18.42060772     13.02426789    -11.52718030
  O     13.38975375     11.95913585    -17.23590078
  H     18.66416885      6.11913799    -16.17822282
  H     17.86639072     12.53069387    -12.88192290
  O     13.05195649      8.27442503    -10.12404212
  H     17.93769305      6.42895216    -14.86067687
  H     14.00512479     10.60572340    -11.67235401
  O     18.55490626      9.41561773    -15.02006573
  H     16.79432992      7.72218227    -10.57235816
  H     12.77384539     11.42135927    -12.10959977
  O     17.44305450     12.93818690    -14.53697582
  H     15.86923347      8.91238868    -10.87830353
  H     12.49761680      9.39226095    -13.11609229
  O     18.03557463     12.26706697    -11.95990564
  H     15.47624147      9.64178130    -17.70327555
  H     12.00878226      7.92729738    -13.21049481
  O     13.04626000     10.54938995    -11.79264246
  H     15.01426703     11.10595418    -17.74920806
  H     12.35634410      7.10382776    -11.20302350
  O     12.24550155      8.69789387    -13.74206066
  H     17.98503546      6.33339820    -12.50297922
  H     11.37307236      5.96676006    -11.57427394
  O     12.07624459      6.50793598    -11.92265083
  H     16.64798801      5.71873576    -12.94696656
  H     14.67265769      7.70340907    -16.45104864
  O     14.57429755      7.99283985    -17.37389339
  H     18.67434916     11.76918295    -17.64991832
  H     14.70547704      7.21800517    -17.91451432
          69
 Energy    -248.35308720958648     
  O     10.79378364      9.61675861    -11.35719731
  H     11.47909750     10.19098092    -11.72400449
  H     15.26788034     11.84054244    -14.68256573
  O     13.82631496      7.62416803    -15.04463529
  H     10.30776131      9.26804604    -12.11395530
  H     15.50055617      8.91786665    -12.62874113
  O     17.42029847      9.62108977    -10.15323775
  H     13.07970117      8.23722517    -15.01144524
  H     16.18443275      9.37961094    -13.94347191
  O     16.72869537     10.72055622    -15.05712407
  H     14.50352262      7.98336938    -14.44864109
  H     11.25168122      8.26441655    -10.34374266
  O     11.85981036      9.58748471    -14.85359801
  H     17.88591345     10.15454408     -9.51476591
  H     11.02127857      7.44624285     -9.05095144
  O     13.47727594      5.62611037    -13.15105968
  H     18.03284255      9.47644132    -10.89661842
  H     19.46081692      5.49394396    -11.45315293
  O     14.79575695      9.53780595    -11.08400868
  H     17.67432121     10.52998778    -15.03674031
  H     18.15564442      6.28879315    -11.20576563
  O     15.36533963      9.06373381    -16.90748600
  H     16.34796976     10.20282181    -15.78221213
  H     10.97463661      6.44351399    -11.47130325
  O     15.59821567      4.05201884    -13.92243421
  H     12.23438563     10.03274547    -14.07781449
  H     11.69912371      5.82936702    -12.68370091
  O     19.31979731      9.62263122    -14.96312655
  H     11.05418748      9.14283662    -14.56204897
  H     19.21754554      9.21799305    -13.09595292
  O     17.92819041      7.76401050    -16.38111687
  H     14.12857245      4.94066213    -13.35213580
  H     19.18690730      8.02242706    -12.11560161
  O     14.36929737     12.19283643    -14.62728764
  H     13.52846030      6.26300871    -13.87746657
  H     17.89533785      6.15135928    -13.38239164
  O     15.83878409      8.60804166    -13.47651478
  H     15.65986280      9.68634539    -10.67776593
  H     16.74356369      7.08731172    -13.81160449
  O     11.47915391      7.43449113     -9.88699760
  H     14.51905405      8.63361161    -10.87316489
  H     15.92463184      6.69653012    -10.27317438
  O     18.88613596      6.15036695    -11.83672397
  H     14.87488677      8.41364996    -16.38402269
  H     17.03499222      7.73244041     -9.98979629
  O     10.83840298      6.14884554    -12.37978185
  H     14.70479441      9.72899653    -17.13815759
  H     12.54761421     11.26249281    -17.56122608
  O     19.13338846      8.98528080    -12.16433901
  H     16.20032622      4.80459331    -14.03608812
  H     12.60737065     10.42541828    -16.26484610
  O     17.24112673      6.29921647    -14.07759263
  H     15.79244251      3.44966271    -14.63645363
  H     13.93835446      6.42455129    -11.55976663
  O     16.87633270      6.79253713    -10.14134180
  H     20.13198802      9.86648557    -15.39951699
  H     13.22940141      7.00213911    -10.30907580
  O     13.15191663     10.88302620    -16.92782623
  H     18.90608082      8.92822288    -15.50669731
  H     13.60178483     10.48196010    -12.06639114
  O     14.09469756      6.88217170    -10.72163759
  H     17.10047620      8.09914726    -16.74428268
  H     13.43897841     11.47721330    -13.25108360
  O     12.95165186     10.88793410    -12.65657892
  H     17.69408490      7.12555092    -15.69237129
  H     10.09488838      7.44629970    -13.26447588
  O      9.72162136      8.25086082    -13.66835476
  H     13.95548510     11.94649428    -15.46228821
  H      8.81283146      8.05584700    -13.87955114
          69
 Energy    -248.35264484384024     
  O     -1.50972208      3.96460745      2.63372165
  H     -1.03437503      3.23033056      3.04410036
  H     -0.61328222      8.29836223      0.79709678
  O     -2.79781180      5.79742631     -0.82854117
  H     -2.14774131      3.61497245      1.99739123
  H      1.85307400      1.90078097      0.75654911
  O      4.11739993      6.92708021      1.67837514
  H     -1.91251834      5.81616760     -1.22209758
  H      0.42811066      1.35098556      0.64797775
  O      1.54775624      6.77843541      2.77832291
  H     -2.80881877      6.51051739     -0.17882537
  H     -0.21427851      2.97363187     -3.19105110
  O     -0.17295569      5.77440448     -1.62804569
  H      4.92063165      7.43838408      1.72467789
  H      0.20460709      4.14541317     -2.28066743
  O      2.39120282      3.54477220     -0.44248327
  H      3.95034693      6.74238938      0.73651717
  H      1.07253065      8.26328023     -0.83312986
  O      0.45319327      4.96727790      0.90683146
  H      1.63270658      5.97424946      3.32069224
  H      1.53199611      8.84840458     -2.19381112
  O     -2.44787645      7.82502183      1.12103122
  H      2.44225227      6.97514369      2.46831199
  H     -2.37177776      1.18159899     -3.17711936
  O     -0.91647480      1.71063107     -0.51789873
  H      0.02785305      5.55029584     -0.70395132
  H     -2.02546618      0.77821772     -1.73942003
  O     -1.35774312      6.65936963      3.30545564
  H      0.32745427      6.57233888     -1.83353836
  H      2.66820739      4.14006310      3.35345221
  O     -3.03618424      3.30967617      0.42492976
  H      1.71967221      3.98079025      0.10895940
  H      1.36039559      3.60778078      3.97596697
  O      0.33828780      8.44460367      0.72764918
  H      1.93250800      3.27836149     -1.24842203
  H     -4.22128265      3.46412411     -2.45842534
  O      1.20164183      1.37834036      1.23123037
  H     -0.22969588      4.55006525      1.44615393
  H     -3.50891826      4.81943122     -2.30408451
  O      0.39538745      3.21667281     -2.48286181
  H      0.88930309      5.61143036      1.47757391
  H     -2.44234386      3.26766567     -3.82194187
  O      1.44160653      8.03460527     -1.70616990
  H     -2.13158621      7.40716619      1.94246545
  H     -1.87748219      2.77611656     -5.17500890
  O     -2.68155771      0.64441817     -2.43750299
  H     -3.06300329      8.50623687      1.38172297
  H      0.24974021      1.31176462      4.25702708
  O      1.93757343      4.37729618      3.94487714
  H     -0.44852212      2.23105593     -1.18654557
  H      0.63473233      1.76300691      2.82720874
  O     -3.71058691      4.12475217     -2.94312083
  H     -1.61774935      2.27256588     -0.16257856
  H      4.14160505      4.98567752      1.93416684
  O     -1.76466965      2.70016427     -4.23108713
  H     -1.47418099      5.70264752      3.20545359
  H      3.61737096      3.78956677      1.12373171
  O      0.23779201      2.05950933      3.66597109
  H     -0.40828766      6.80651176      3.36132648
  H     -5.59516122      1.49082054     -1.33488122
  O      3.91475284      4.04985565      2.00218043
  H     -3.73721799      2.83620319     -0.03916269
  H     -4.10492660      1.41184585     -1.74830316
  O     -4.78201789      1.98765737     -1.34951173
  H     -2.97697646      4.18634749      0.01752762
  H      3.14015180      5.33010855     -0.89664729
  O      3.47105680      6.23386660     -0.84835199
  H      0.73273818      8.01796553      1.49671161
  H      2.80588243      6.80810992     -1.24792186
          69
 Energy    -248.35207945968372     
  O     -2.77022506      5.00500350      3.16939128
  H     -2.67017368      4.68901346      2.26500295
  H     -2.87154977     -3.63285509      3.14472125
  O      0.94161142      1.41090188      0.78026017
  H     -2.08882960      4.55861271      3.69226626
  H     -0.66946402      3.09214530     -1.83845055
  O     -1.37140940     -0.44147847      3.36364594
  H      0.41012684      1.81843434      0.08865058
  H     -1.50887728      2.92224930     -0.55192315
  O     -4.42309317      0.27127460      0.21776777
  H      0.70340063      0.47359441      0.76826837
  H     -5.33201074      5.34080967      5.03891431
  O     -2.72426527     -2.97133822     -1.03375551
  H     -1.97565126     -1.12221475      3.68158982
  H     -4.22313202      4.80199709      4.09971925
  O     -0.25945546     -1.14647898      0.93821395
  H     -1.94164030      0.29137881      3.08132446
  H     -2.61535391      2.81435558      1.35296070
  O     -4.44128111     -0.21478102      5.92700802
  H     -4.78386579      1.13570177     -0.01245323
  H     -3.56296322      3.50442595      0.36343799
  O     -6.37036088      0.19923035      3.84531904
  H     -3.62019865      0.11846887     -0.30182251
  H     -5.66239028      3.29403979      3.45444362
  O     -1.02968934      3.55069015      4.83437403
  H     -1.94601216     -3.32535438     -0.58347639
  H     -6.09795884      1.80722290      3.17872131
  O     -1.99419665     -0.17966271     -0.98340752
  H     -2.52993612     -2.04393225     -1.21091935
  H     -6.12909477      3.34003623     -0.30401128
  O     -5.33203596     -1.65142945      1.96879568
  H     -0.23968552     -2.10699893      0.85596178
  H     -5.57627939      2.86272032      1.06204629
  O     -2.65470193     -4.27508156      2.45654410
  H     -0.62012031     -0.94620175      1.81483146
  H     -4.11887636     -1.92797863      3.33012940
  O     -0.94235429      2.45217586     -1.18560224
  H     -4.05064771      0.67083847      5.82384224
  H     -3.78580679     -1.55277323      4.79127317
  O     -4.99264582      4.54449312      4.64077547
  H     -4.61778702     -0.32659633      6.85771396
  H      0.67967567      1.74178196      2.56964934
  O     -2.65527324      3.52524837      0.69433796
  H     -5.81569088      0.02419963      4.61515420
  H     -0.06687974      0.88804520      3.61164737
  O     -5.77360743      2.62455236      2.76965837
  H     -6.17152130     -0.50080242      3.20940670
  H     -4.08123521      3.05610610      5.42851841
  O     -5.36639465      2.94923933      0.11316478
  H     -0.45271219      3.93920616      5.48670419
  H     -2.60729165      2.62712090      5.37610852
  O     -3.49904789     -2.10521476      4.05335053
  H     -0.48731050      2.91766135      4.33002815
  H     -4.08029723     -3.59619598     -0.10578647
  O      0.39478238      1.72824427      3.49388097
  H     -1.39162650     -0.52553114     -0.30619867
  H     -5.23788125     -4.61584689      0.01278852
  O     -3.49139530      2.31330791      5.60268688
  H     -1.64263835      0.68323130     -1.23193161
  H     -1.29574049     -4.07318815      1.38264837
  O     -4.73838707     -3.97137140      0.50668830
  H     -5.28521825     -2.49697674      1.50628067
  H     -0.05496944     -4.66753640      0.67260409
  O     -0.63244962     -3.90945963      0.68794833
  H     -5.06942736     -0.98220679      1.31975532
  H     -3.53657217      0.91890410      1.68019352
  O     -3.14912874      1.41335809      2.41673005
  H     -3.42339891     -4.30643455      1.87294983
  H     -3.89294098      1.82486438      2.86971712
          69
 Energy    -248.35207219479159     
  O     16.43127564      3.92398192    -15.82774327
  H     16.27830481      4.87807560    -15.84060163
  H     17.38409885     10.92881761    -15.32595768
  O     13.41773187     11.75961460    -10.88559167
  H     15.65675455      3.53584216    -15.40212816
  H     15.13233122      9.12280409    -17.88298339
  O     17.72334329      8.17040943    -13.82481419
  H     12.83575186     10.99235673    -10.81346409
  H     15.96275906      9.44223588    -16.61488366
  O     18.50528343      3.30083621    -14.17554375
  H     14.06836467     11.66715834    -10.17857990
  H     15.65384513      8.35720500    -11.47029806
  O     11.92139486      9.30954615    -10.69175717
  H     18.11903131      7.35377051    -13.47981926
  H     14.55429922      8.40126819    -12.56566582
  O     16.08025321      7.66947702     -9.84323497
  H     16.90794958      8.34464547    -13.32680122
  H     15.02856956      2.75946611    -13.44966082
  O     12.78797045      7.97180685    -12.90927707
  H     19.16482620      2.77289330    -14.61686809
  H     13.77095179      2.16916527    -14.13388170
  O     18.45709192     10.40647816    -12.18215445
  H     17.82080973      3.50672308    -14.83701017
  H     16.21203301     10.87731393     -9.11462493
  O     13.88869620      8.81321941     -8.70037699
  H     10.97213394      9.24158567    -10.62430537
  H     15.58123418     11.89240598     -8.13891025
  O     15.90648989      6.68336561    -15.47577338
  H     12.18007950      8.79947605    -11.47794434
  H     15.38817358      5.54210084    -12.04739242
  O     18.45908294      5.79634901    -12.82447874
  H     16.75602880      8.33431644     -9.66999862
  H     16.06849230      6.05918451    -10.74376763
  O     17.36270802     10.10446417    -15.82567066
  H     15.28099093      7.94549532     -9.36668822
  H     14.33461380     11.60423430    -12.40870532
  O     15.17628586      8.96930914    -16.94302452
  H     12.84409024      8.53515400    -13.69857024
  H     15.19919649     10.40647326    -12.85244508
  O     15.45704787      8.67498022    -12.36042299
  H     13.09920402      7.08525251    -13.13684690
  H     17.99738639     10.16553710    -10.52880049
  O     14.33867080      2.93428407    -14.11573341
  H     18.16065768     11.13307077    -12.74389732
  H     18.56847557      9.94755055     -9.11191407
  O     15.37211006     11.27106193     -8.83304934
  H     18.41659338      9.61589411    -12.73323490
  H     17.26617788     13.22415100    -14.08326061
  O     16.07443887      5.34636696    -11.39544018
  H     14.29121275      9.68618230     -8.61230843
  H     16.37220793     12.02182887    -13.69022105
  O     14.89926723     11.28538175    -13.12740438
  H     13.15327998      8.92262394     -9.31694541
  H     14.74905477      6.04005329    -14.21587230
  O     17.75154798      9.98813615     -9.60345965
  H     16.62127637      7.08672927    -14.96867207
  H     14.07726014      4.73359902    -13.71925252
  O     17.26788351     12.27693830    -13.97658659
  H     15.57355449      7.37076079    -16.06617955
  H     17.18731257      2.79541016    -12.85927902
  O     14.18294628      5.67249454    -13.52155921
  H     18.62315158      4.97181696    -13.29676211
  H     16.30476332      3.53547228    -11.83251005
  O     16.37754668      2.71466371    -12.33961193
  H     17.68984272      5.62764525    -12.26281362
  H     13.87329959      9.48526073    -15.66567782
  O     13.30757442      9.72732892    -14.92293757
  H     17.64079892      9.41667770    -15.20504082
  H     13.78523491     10.40813492    -14.43154977
          69
 Energy    -248.35194528979287     
  O     14.66327785     12.27443801    -14.56140614
  H     14.24143080     11.59098593    -15.10137672
  H     16.64590940      5.08266157    -14.79156661
  O     13.76980102      7.22621492    -13.09707003
  H     15.59203629     12.26633168    -14.82034932
  H     17.35541678     10.61789149    -16.59018001
  O     17.96251557      7.79437064    -11.46928280
  H     14.44885062      7.68421770    -13.61691322
  H     17.78219904      9.18803353    -16.99139266
  O     18.66851413      7.59442722    -16.49065451
  H     13.32024619      7.91056250    -12.58322078
  H     15.84893960      7.69295732    -15.23857791
  O     12.23720139      7.79721288    -15.43962804
  H     17.89655186      8.13422840    -10.56817054
  H     15.06026735      9.04837210    -15.23864998
  O     15.25927366     10.50587280     -9.37269555
  H     17.22142957      7.18061523    -11.58032373
  H     15.96554260      7.41780369     -9.00736705
  O     12.64469748      9.41046232    -11.77315834
  H     19.47794277      7.38147592    -16.94885715
  H     15.39456830      6.41488438    -10.02941027
  O     17.21593856      9.90387008    -13.09086473
  H     18.81518572      7.37111069    -15.55423754
  H     11.32838216      9.48453436    -13.05655718
  O     14.07007275      6.96385094    -17.51825890
  H     11.54138866      8.31602941    -15.00881416
  H     10.30597951     10.30199188    -13.85928522
  O     13.10171473      8.61949027     -9.12250958
  H     12.71411488      7.38081772    -14.70976084
  H     18.40957240      5.91548770    -13.89598342
  O     16.27382778      6.13117961    -16.16997134
  H     15.12649344     10.86707756    -10.25916951
  H     18.79322248      7.15142008    -13.06861199
  O     16.98322151      4.61830405    -14.00580192
  H     14.46812964      9.98743209     -9.18135170
  H     16.22037485      5.37619773    -12.45980365
  O     17.27185944      9.95288523    -17.28450069
  H     12.67161530      9.14584004    -10.84489425
  H     15.04314369      6.34078745    -12.19717109
  O     15.61180065      8.46039611    -14.70544831
  H     13.38421717     10.01967406    -11.91443052
  H     17.80550888      9.06053635     -8.15112531
  O     15.18914112      6.88110134     -9.20859470
  H     17.59474723      9.27612966    -12.46462822
  H     16.63952500      9.47276140     -9.08047100
  O     10.73011752      9.44807073    -13.81944289
  H     16.67715390      9.37055774    -13.69927109
  H     15.79435873      9.67666165    -18.14559682
  O     18.93669484      6.72384657    -13.92160592
  H     14.29422787      7.78392540    -17.97596737
  H     14.91437381      9.90032229    -19.40063705
  O     15.84256605      5.96646647    -11.79737787
  H     13.33384328      7.16885538    -16.92795586
  H     14.66438115     11.63147707    -12.86552340
  O     17.32332930      8.79548987     -8.92962000
  H     12.53095042      8.40724253     -8.38895302
  H     15.69409438     10.63604375    -12.32146479
  O     14.91669860      9.50493175    -18.53345203
  H     13.79214347      7.93292919     -9.14850196
  H     17.49849704     11.15860692    -14.32755754
  O     14.85927041     11.07027337    -12.10142180
  H     17.06097178      6.56659602    -16.52086213
  H     18.16629519     12.41699221    -14.92433996
  O     17.48744900     11.76620869    -15.08664636
  H     15.51370254      6.32190209    -16.74159166
  H     13.13072954      9.37452949    -15.87195093
  O     13.76458927     10.08077728    -16.05581908
  H     17.02711464      3.69269924    -14.23191248
  H     14.04438282      9.98802805    -16.97586651
          69
 Energy    -248.35183628822091     
  O     11.91209278     13.00304952    -12.16344205
  H     11.78808570     12.03504613    -12.17465302
  H     13.64465261      8.68389894    -14.48701738
  O     20.68348034      8.51351598    -10.70144894
  H     11.04660419     13.39218101    -12.07852524
  H     15.30016558      9.89251039    -13.39238472
  O     17.61731960     11.43414195    -11.68662744
  H     20.76890742      8.65446333    -11.66041968
  H     14.77971497     11.36622332    -13.30655988
  O     17.20564785      7.03753050    -12.42983409
  H     21.57135352      8.49049827    -10.35668449
  H     13.64116452     11.87061771    -15.61283307
  O     15.16473101      6.10827699    -10.83381815
  H     17.43818509     12.30156022    -11.30644567
  H     12.98340409     11.68468665    -17.00126698
  O     13.86743956     12.76139513    -14.13721283
  H     16.79953585     11.17322692    -12.14276753
  H     16.62579660      8.51661000     -9.55453973
  O     17.72238597      9.17415912    -15.67157180
  H     17.54769529      7.71625426    -11.83226661
  H     15.95989833      8.25788957     -8.18169785
  O     18.01048991      8.96125388    -10.53407921
  H     16.53935086      6.54436699    -11.93094680
  H     20.21641312      8.18532653    -13.84953326
  O     16.40871248     11.40141394    -16.79450554
  H     14.22568180      6.07081487    -11.00512461
  H     20.23702059      9.71844017    -13.67566566
  O     18.96594066      6.89389076    -14.54699338
  H     15.28623871      6.79844710    -10.16474290
  H     16.77546278     13.98428071    -14.23048623
  O     17.94847606     13.24041205    -15.53630308
  H     14.59059435     13.39359000    -14.00306217
  H     16.33735794     14.22173904    -12.75572866
  O     12.81382503      9.17079589    -14.56096143
  H     13.16656304     12.95320134    -13.50243888
  H     15.69148482     13.57618812    -10.65267918
  O     15.30141105     10.69318102    -12.85297667
  H     18.14987425      9.83555458    -15.10666187
  H     16.78408282     14.59538603    -10.25361084
  O     13.58467180     11.27645173    -16.38284104
  H     18.18627772      8.34546106    -15.50211081
  H     14.09353530     11.95095657    -10.18613599
  O     15.79165844      8.26447652     -9.12063804
  H     17.91316889      9.86113928    -10.87532594
  H     13.35079454     13.09404401    -10.88722634
  O     20.68095267      8.90402716    -13.40475415
  H     18.95933234      8.77512304    -10.47546921
  H     18.78942271     11.87792472    -14.57511888
  O     16.05124115     14.29627057    -13.67373079
  H     16.80708880     10.54529626    -16.59038962
  H     18.60416811     11.21861590    -13.19149607
  O     16.58336404     13.90058301    -10.87462553
  H     15.45336284     11.29149423    -16.72253664
  H     12.10872081      9.87404000    -13.01093622
  O     14.11476755     12.90650436    -10.32923921
  H     18.36080986      6.84994302    -13.78712131
  H     12.46462188     10.08175009    -11.51319198
  O     19.00085419     11.08676281    -14.06421582
  H     19.16496395      5.99393114    -14.79214281
  H     14.51788492     10.25197459    -11.29232783
  O     11.82252398     10.31263832    -12.19631042
  H     17.36039611     12.63686911    -16.02645856
  H     14.58951015      9.46833558     -9.95100857
  O     14.05293869     10.08702914    -10.45663126
  H     18.36589893     13.80149965    -16.18493450
  H     16.16034278      8.62257384    -14.88215964
  O     15.48808483      8.31595748    -14.25794087
  H     12.96894232      9.81462152    -15.26223979
  H     15.96881429      7.80513538    -13.59460749
          69
 Energy    -248.35169845522046     
  O     16.24178362      9.06308403    -15.02969995
  H     15.58128050      9.76663609    -15.07422268
  H     13.29948672     10.30730234    -11.53979287
  O     16.30202620      7.23618589     -8.81017010
  H     15.77370055      8.21564307    -15.02745877
  H     20.35534393      6.04166523    -14.20288615
  O     14.38244148     11.14984464    -14.69269266
  H     16.69087514      6.73041113     -8.10137992
  H     19.59636675      5.41412292    -13.02180938
  O     14.17561014      6.67922033    -10.63593419
  H     16.96105529      7.27537472     -9.52446456
  H     18.72177194      7.78873012    -11.35207782
  O     14.77700089      6.70174606    -14.80822613
  H     13.86906772     11.44180389    -13.92785907
  H     17.20829784      8.04495065    -11.46641342
  O     18.99533871      9.10077308    -14.87419548
  H     15.11367415     11.78119033    -14.75047189
  H     20.15340114      6.32170834    -16.80322460
  O     18.87051980     11.71306814    -13.90880107
  H     14.82422438      6.80425262     -9.93165917
  H     18.91881492      6.27952372    -15.86871293
  O     20.09880313      8.44976331    -12.39197546
  H     13.79869805      7.54838900    -10.81134570
  H     15.92742564     13.15234541    -12.72434775
  O     14.84636117      4.92284483    -12.58544258
  H     14.04120812      7.30112119    -14.61322334
  H     16.15532919     12.55681645    -11.31852170
  O     13.12517328     11.97416225    -12.27495417
  H     14.79909141      6.06895237    -14.07909929
  H     16.46886881      5.96797065    -15.44235148
  O     13.00395083      8.67285672    -14.01358747
  H     18.03515362      9.06305701    -14.99773965
  H     17.52057151      5.46193523    -14.44608351
  O     13.57916942      9.44026115    -11.21639298
  H     19.36641640      8.34672906    -15.34860352
  H     16.23632129      9.20775227    -13.21671406
  O     20.41964246      5.85936807    -13.25654061
  H     19.25762698     11.61366086    -13.03273135
  H     15.27766677      9.26425607    -11.98826969
  O     17.86599622      7.47758262    -11.03354457
  H     19.00769706     10.86756609    -14.35813349
  H     17.39214615     12.50864330    -14.30722945
  O     19.81394755      6.65196353    -15.97610903
  H     19.67950828      8.73079279    -13.21924100
  H     16.75637713     13.68514257    -15.08087818
  O     15.53659925     13.08090443    -11.84450614
  H     20.40819830      7.54873414    -12.56336930
  H     18.18641968     11.21433191    -10.68651382
  O     17.38119306      5.66615811    -15.38195018
  H     14.57633476      5.53107099    -11.87478983
  H     16.90859083     10.56252407    -11.24751634
  O     16.20455305      9.24316424    -12.25416722
  H     14.26508671      4.16800655    -12.53804325
  H     20.80339909     11.28830424    -10.97504436
  O     16.54755800     12.94779922    -14.51306689
  H     12.41992613     12.60242218    -12.14605415
  H     20.11161891     10.06913009    -11.62163284
  O     17.22680880     11.21340357    -10.60207611
  H     13.95749921     12.42393112    -12.03765105
  H     15.61372915      9.02566532     -8.83061598
  O     19.96935670     10.98330583    -11.32402086
  H     13.32902979      9.49761129    -14.39476962
  H     15.95179565     10.41607197     -9.41212375
  O     15.22350240      9.87052442     -9.08661427
  H     13.02402576      8.80514040    -13.05979472
  H     16.73268634      4.91088937    -12.56871264
  O     17.66089189      5.17212250    -12.62265053
  H     14.05686244      9.60604565    -10.38534322
  H     17.74023978      5.94410858    -12.04516724
          69
 Energy    -248.35162007465240     
  O     12.96141796      5.43413241    -16.21467073
  H     12.96126633      6.35663704    -16.48891579
  H     18.43516529      4.09197566    -14.94292581
  O     17.37864112      6.91211226    -11.95982533
  H     12.99581496      5.46421851    -15.24679096
  H     19.00829351      7.97596906    -17.59084769
  O     19.26517778      4.75757472    -17.92601683
  H     18.25197784      6.62085065    -12.24896167
  H     19.52831573      6.51603551    -17.39436650
  O     16.59829712      4.98460691    -18.45155433
  H     17.11350150      7.63528925    -12.54618255
  H     16.97038487      5.91364608    -15.32340048
  O     13.27472407      8.88056561    -11.04285142
  H     18.31640069      4.80957586    -18.13925598
  H     17.96500802      6.95373204    -15.94923978
  O     13.35507657      5.87879381    -13.52086903
  H     19.68237506      4.29786699    -18.64963907
  H     13.36838716      8.49600911    -15.55555710
  O     16.53591448      8.82102360    -13.79652608
  H     16.21140875      5.86803326    -18.41513629
  H     12.45736228      8.89108960    -16.73486649
  O     16.62847052      4.16047088    -14.80966211
  H     15.98323673      4.41355334    -17.97519622
  H     13.97216032      4.32537281     -9.12470557
  O     12.15539531      6.22368016    -11.00839942
  H     13.08715075      9.63546069    -10.49122763
  H     13.41814462      5.30571768    -10.18661591
  O     20.28891727      8.41201793    -14.52698546
  H     14.07242525      8.45881800    -10.67499532
  H     19.71977300      5.40960720    -13.75069735
  O     14.76904393      3.53053397    -16.82091264
  H     14.15020600      5.47821721    -13.14503589
  H     20.56772826      5.65277247    -12.48428675
  O     19.36846264      4.31544633    -15.07413813
  H     13.54409386      6.82123282    -13.63032010
  H     16.25603151      5.51225312    -12.18266058
  O     19.45386581      7.37994222    -16.97082217
  H     16.74447103      8.14755813    -14.46336896
  H     15.20433283      4.64425659    -11.44619403
  O     17.08453490      6.84024029    -15.56610240
  H     17.20470496      9.51700324    -13.86391748
  H     16.19254292      7.38156231    -10.57698445
  O     13.17894637      8.31609544    -16.49082879
  H     16.22922728      4.21708892    -13.93134183
  H     15.08609617      6.63099529     -9.81438028
  O     14.23148314      4.89261549     -9.84539188
  H     15.96229519      3.85227135    -15.43603897
  H     14.75144866      7.89366921    -17.46622487
  O     19.85415431      6.01742972    -13.00239010
  H     12.36738295      6.00544119    -11.92715510
  H     16.08626018      7.30600985    -16.96602010
  O     15.62390174      4.78719126    -12.30303573
  H     12.34493087      7.16653720    -10.92935470
  H     13.52800018      8.82818749    -12.90138072
  O     15.40636880      7.51498705    -10.03164316
  H     20.13632319      8.08934021    -15.42647341
  H     14.78782393      8.77430422    -13.80187253
  O     15.61173940      7.58229499    -17.76683077
  H     20.20594489      7.64071416    -13.95499201
  H     19.29394599      9.82377833    -14.21097150
  O     13.82705967      8.63553943    -13.79865832
  H     14.08861281      4.20949041    -16.66148000
  H     19.13866896     11.26017403    -13.68060266
  O     18.64551713     10.53106065    -14.04565829
  H     14.30814402      2.72655782    -17.04465040
  H     17.01544383      8.58343169    -18.39391853
  O     17.87591192      8.99797281    -18.56354697
  H     19.47508605      4.40416327    -16.02749579
  H     17.74211319      9.93651168    -18.44927978
          69
 Energy    -248.35149915376883     
  O     11.19571971     10.00993676    -10.14299573
  H     10.56953196      9.93918912     -9.42785282
  H     10.05220537     11.90520647    -17.03932861
  O     15.19562819     10.31753663    -13.21682165
  H     12.06116718     10.21242331     -9.74322080
  H     14.29968116     14.63990340    -13.76414706
  O     17.06365445     13.27755066    -14.83666216
  H     16.11706788     10.56715818    -13.35796740
  H     15.71962820     14.03755755    -13.74636922
  O     16.64563546      7.04797977    -13.72881950
  H     14.81326778     10.06855937    -14.06639602
  H     15.97812254     12.26461659    -15.98722089
  O     11.70808478     11.92437957    -12.13762471
  H     17.80440859     13.79183508    -15.14874430
  H     16.13284548     10.91199853    -16.71317751
  O     12.93580227     15.10868380    -14.95119481
  H     17.43001226     12.56660558    -14.28254415
  H     17.80238976      9.27324165    -15.91452554
  O     15.87474057      8.92335903     -9.55545374
  H     16.15312186      7.00582074    -14.55906771
  H     16.61632486      8.64270427    -16.64715115
  O     14.44413418     12.29460536    -11.46880983
  H     15.99310028      7.20569279    -13.03511732
  H     16.79980521     10.46577016    -10.22789039
  O     13.91411511      9.57973989    -15.57914743
  H     11.38589129     11.33788973    -11.44110906
  H     16.30819157     11.82265480    -10.74989290
  O     18.69854159      8.73117102    -14.24912396
  H     12.61719311     12.15233936    -11.90652436
  H     11.65224686     10.77322978    -13.56914795
  O     13.66071157     10.70382527     -9.27459409
  H     12.13441091     14.69222658    -14.58620550
  H     11.09693350     10.65123140    -15.00624433
  O     10.61044466     11.91356081    -16.26696851
  H     12.71084919     16.01637270    -15.13896037
  H     14.76935812      6.73321567    -16.75698298
  O     14.99455927     14.31974133    -13.17548517
  H     15.47880281      8.48727131    -10.32944534
  H     14.69665079      8.06897830    -15.97983727
  O     15.51130371     11.63914516    -16.55503273
  H     16.22175036      8.23238669     -8.99723541
  H     13.11322663     13.74414366    -16.26906457
  O     17.18169344      9.42519152    -16.63598308
  H     14.62885363     13.10803421    -11.96362783
  H     13.90933988     12.56921926    -16.88717483
  O     17.09718541     11.27657103    -10.65988549
  H     14.65043397     11.55679859    -12.06486764
  H     11.77502368      8.69100865    -13.01397707
  O     11.55401543     10.15983968    -14.31114913
  H     14.29844048     10.37154100    -15.98055615
  H     11.66053456      8.71653391    -11.48206817
  O     15.27439610      7.31551859    -16.19581553
  H     13.05599982      9.79684106    -15.18958627
  H     18.27523875     10.35616047    -13.55123482
  O     13.03561474     12.97642316    -16.85001207
  H     17.99702832      8.09899178    -14.00893510
  H     17.76168366     11.20744502    -12.32525936
  O     12.01093055      8.19941936    -12.21850784
  H     19.51623726      8.24121498    -14.26402623
  H     10.53781774     13.15808213    -14.78429466
  O     17.86566457     11.19091922    -13.28935867
  H     14.39323486     10.07836554     -9.22479786
  H     10.99201041     13.18368434    -13.30843349
  O     10.76522209     13.75119906    -14.05778461
  H     13.93188496     11.37456676     -9.91594238
  H     13.77852511      7.89265659    -11.93867190
  O     14.73828085      7.98537172    -11.85807531
  H     11.47783827     12.25809364    -16.54886256
  H     14.95191380      8.81486314    -12.31356052
          69
 Energy    -248.35126816280331     
  O     16.52438635     11.04359446    -12.70543683
  H     16.24341327     11.75351672    -12.11507132
  H     12.87834858     12.01582242    -11.72296083
  O     17.33298745      8.82919249     -7.23337322
  H     17.05808086     10.45202593    -12.16014923
  H     15.31685363      7.36047284    -13.39352832
  O     15.37806572      5.66015532     -9.70710380
  H     18.05310876      8.48134757     -7.77130639
  H     14.78997595      8.29909867    -14.49296327
  O     18.00842235      5.26352973     -8.98230860
  H     17.05561074      9.64863218     -7.66418487
  H     18.84216928      6.81873085     -9.09826088
  O     17.66935262      9.36849023    -10.74470453
  H     15.14701408      6.27551466     -8.98882674
  H     20.18054611      7.58742515     -9.01502387
  O     15.68932707     12.94472608    -10.74198463
  H     14.56762160      5.28135010    -10.06161534
  H     14.35417680      8.23030083     -7.90287084
  O     10.08556038      9.57514143    -10.55267359
  H     17.08196057      5.32356512     -9.26578880
  H     15.77953648      7.84940635     -7.47041136
  O     16.21574399     10.86956127     -8.89771710
  H     18.01274767      4.65530899     -8.24647768
  H     13.37824184     10.56479677    -13.70508172
  O     13.55148884      8.82382979    -11.11576500
  H     18.31632139      8.83872265    -10.26318189
  H     11.87379036     10.37991400    -13.28478648
  O     11.48081920      7.11723049    -10.55048608
  H     17.16442131      9.86243625    -10.08115737
  H     11.48361550      6.44832888    -13.59120825
  O     13.07964503      5.37695670    -13.75116335
  H     15.88377772     13.87767231    -10.71996444
  H     10.87369432      6.98526621    -12.29594456
  O     13.02878039     12.59715740    -10.96437202
  H     14.71980974     12.86087090    -10.79647201
  H      9.45641567      9.77966327    -14.02556469
  O     14.80377572      7.37708027    -14.21634643
  H     10.41629111      8.67931722    -10.40334325
  H     10.38135339      8.65776736    -13.49420390
  O     19.24009743      7.70578969     -9.11976521
  H     10.03415903      9.68055246    -11.50914896
  H     10.67929533     11.82953804     -8.40599520
  O     14.93585674      7.47410412     -7.76122818
  H     16.11201372     11.66484259     -9.43414518
  H     10.83687351     10.78232511     -9.53134995
  O     12.73469090     10.71321841    -13.00049241
  H     15.31971042     10.55029530     -8.71552684
  H     12.66282118      3.84607824    -10.94629154
  O     10.75588448      6.98297971    -13.25661110
  H     14.37712529      8.40443931    -11.38710941
  H     13.06155020      4.94005831    -11.95947976
  O     10.21347023      9.61713958    -13.46954151
  H     13.30746399      9.48306432    -11.77734596
  H     15.19666630     10.59596690    -15.50994728
  O     11.32027578     11.42868275     -8.98684539
  H     11.88326288      6.24584286    -10.48074743
  H     15.51828449     10.49853475    -14.00088404
  O     13.01140741      4.73261835    -11.01265589
  H     12.21627951      7.72555344    -10.73354464
  H     13.63694721      9.50064108     -9.48406832
  O     14.89767517     10.20447558    -14.69361778
  H     13.16272251      4.75943616    -14.47320430
  H     12.86181478     10.41774259     -8.52097822
  O     13.64356778      9.85894010     -8.58221526
  H     13.69004679      6.11153305    -13.94726241
  H     15.80427139      6.81122129    -11.03905858
  O     15.91774952      7.48465253    -11.72247718
  H     12.44114800     12.28694283    -10.26592000
  H     16.57877678      8.11565640    -11.40816804
          69
 Energy    -248.35126418177086     
  O     17.09743858     10.02599326    -18.12690539
  H     17.26784137      9.33400940    -18.77656876
  H     17.92964205      5.75543587    -15.65516237
  O     16.22437267      6.04542273    -12.83069528
  H     17.12789893      9.58652512    -17.26149049
  H     17.80193522      6.80354779    -12.05458206
  O     16.76033904     12.61692370    -12.08320836
  H     15.92870562      5.16930234    -12.59436226
  H     18.26223084      8.12637807    -11.42009202
  O     21.34251976      9.65516579    -14.21318282
  H     16.47153023      6.00984592    -13.76931874
  H     20.37267359      9.38416786    -17.16749719
  O     15.68547226      6.45031270    -17.97756613
  H     16.99702586     12.67066808    -13.02286773
  H     20.02384376     10.88899490    -16.96700959
  O     14.17543882     11.45214659    -12.49510292
  H     16.99257016     13.45797500    -11.69623904
  H     16.15652131      8.90917777    -15.35841836
  O     15.02810101      8.59566222    -12.34896749
  H     22.17468911     10.05602399    -13.98036029
  H     17.66169338      9.21171800    -15.01989979
  O     17.40592258     12.36548676    -14.80410083
  H     21.17813081      9.86226963    -15.15271014
  H     15.32143480     10.57102368    -18.06152179
  O     20.47084018      6.98241244    -13.77951701
  H     16.04267118      6.18403097    -17.12113909
  H     14.36870545     11.25133032    -17.05505910
  O     14.39243362      9.01330136    -14.97598962
  H     14.90193167      6.98599238    -17.80299093
  H     16.49639212      9.44162079    -11.70158522
  O     19.73588095      5.58417514    -15.94130862
  H     14.28244166     10.52921086    -12.24114815
  H     17.18227923     10.80788332    -11.44622082
  O     17.03815200      6.08771543    -15.48567865
  H     14.98515745     11.89749482    -12.21356251
  H     13.73710381      9.11186810    -17.71978905
  O     18.58448143      7.28094752    -11.75199579
  H     14.71557441      8.73744139    -13.25560917
  H     12.58441719      8.08400872    -17.83134574
  O     20.66128340     10.20634623    -16.74024394
  H     15.35114438      7.68617518    -12.35014893
  H     19.58104790      9.97873052    -13.86658579
  O     17.06724682      8.81185128    -15.66872668
  H     17.86432294     11.58030166    -14.46244350
  H     18.29497798      9.93374245    -12.96221956
  O     14.38721333     10.73289006    -17.86936706
  H     17.79330706     12.51838667    -15.67372361
  H     19.10789929      7.68440254    -18.41465480
  O     17.32898349      9.85527651    -11.42426142
  H     20.87141125      7.84880472    -13.91272762
  H     19.81034877      7.02545457    -17.20781886
  O     13.46818423      8.20297443    -17.49331746
  H     19.86713200      7.06998545    -13.02804026
  H     15.59241456     11.99757948    -15.15149111
  O     18.62935257     10.13394969    -13.84583661
  H     13.97163485      8.62734645    -15.75292443
  H     14.32192328     11.77513180    -14.30144224
  O     19.83569387      7.79209622    -17.79226579
  H     14.40401421      9.97416224    -15.10086388
  H     18.74671748     12.78675507    -18.10583852
  O     14.65778758     11.75902566    -15.21040613
  H     20.03237087      6.06749580    -15.14679242
  H     18.04048929     11.46328383    -17.73392118
  O     18.57852501     12.19196325    -17.37887745
  H     20.31815214      4.83626938    -16.04046881
  H     17.53282165      7.28832045    -20.41596636
  O     17.54858320      7.65628072    -19.53698644
  H     17.09819173      7.05235401    -15.57727139
  H     16.87666919      7.17773352    -19.01885327
          69
 Ord_Energy   -248.351151    
 O   -9.85795408E-02  -4.16937208      -1.09683883    
 H   0.275406837      -3.79642081     -0.288776547    
 H  -0.341622800      -5.07785273     -0.868869901    
 O    3.89949226      -9.07254601      -2.82270241    
 H    4.55757141      -8.36331081      -2.72792721    
 H    3.97277164      -9.39583397      -3.71719885    
 O    1.72170985      -3.40365839      -2.95354652    
 H    1.27763748      -3.12866306      -3.75091052    
 H    1.02869248      -3.71304393      -2.34195733    
 O    2.91625905      -3.56079364       3.56883621    
 H    2.73552465      -3.09550285       4.38098431    
 H    2.63833785      -4.48541403       3.70246339    
 O    1.73589230      -8.21275330      -1.20244932    
 H    1.97862923      -8.65791988     -0.379246801    
 H    2.38100672      -8.49548340      -1.86142528    
 O    5.27941227      -2.97985339     -0.451475739    
 H    5.22308445      -3.39534116      0.419387192    
 H    4.49650288      -2.41875720     -0.562077999    
 O    8.73964119      -7.04867077      0.665530801    
 H    9.55322742      -7.32365370       1.07904160    
 H    8.50857830      -6.18094397       1.04320526    
 O    2.31319451      -6.19453096       3.65210104    
 H    3.08674216      -6.53741264       3.18549609    
 H    1.55546105      -6.66341257       3.28298330    
 O    2.77564883      -5.83252907     -0.129063800    
 H    2.26521540      -6.56172514     -0.503260493    
 H    3.24989891      -5.42645693     -0.865964949    
 O    5.63786125      -7.00529671      -2.33465338    
 H    6.55500078      -6.69276428      -2.34551787    
 H    5.07736731      -6.21965218      -2.40295863    
 O    1.64768946      -3.51494694       1.02732110    
 H    1.98622394      -4.35366535      0.679680526    
 H    1.98105586      -3.43677163       1.92739606    
 O   0.382312298      -7.87847853       2.34265566    
 H  -0.243438601      -8.42702293       2.81191897    
 H    1.07466376      -8.47493553       2.01493931    
 O  -0.500243187      -6.80768585     -0.258187860    
 H  -0.330932677      -7.03949499      0.661462843    
 H    8.90058503E-02  -7.37845993     -0.768983066    
 O    8.00120163      -4.57261992       1.48815548    
 H    8.08507538      -4.04337120      0.684441388    
 H    7.11756802      -4.39532948       1.83278370    
 O    5.22127151      -4.25199175       2.06555700    
 H    4.53815746      -3.87017131       2.63080454    
 H    5.02065706      -5.19525146       2.01399279    
 O    2.86275196      -1.79898620     -0.822474718    
 H    2.46446180      -2.13083029      -1.63518476    
 H    2.39827228      -2.26131940     -0.109411962    
 O    2.60704803      -9.20235348       1.31751943    
 H    3.19051790      -9.80570507      0.832245946    
 H    3.18539071      -8.49021530       1.61790800    
 O    8.14378071      -5.97850084      -1.94963789    
 H    8.49259567      -6.39751434      -1.15365636    
 H    8.10988426      -5.03422499      -1.75122821    
 O    4.31144524      -6.93457603       1.79904842    
 H    5.03979301      -7.37709713       1.34005868    
 H    3.75312281      -6.51978445       1.11780000    
 O    4.09917402      -4.71472597      -2.29078984    
 H    4.56986570      -4.07387018      -1.73879945    
 H    3.31153727      -4.27781916      -2.64271164    
 O    4.50592852      -10.3375769     -0.290385604    
 H    5.21790218      -9.73057747      -4.60183397E-02
 H    4.29040098      -10.1097822      -1.20266521    
 O    6.19827175      -8.10539436      0.205325246    
 H    7.11006927      -7.85935926      0.405964762    
 H    5.98160648      -7.71080399     -0.651419282    
 O    7.92143679      -3.25971889      -1.04916501    
 H    6.97748375      -3.07350278     -0.906385124    
 H    8.31515217      -2.45248389      -1.37037480    
          69
 Energy    -248.35113391604918     
  O     13.75973577     13.57934581    -14.49750534
  H     13.77712583     12.94784209    -15.23364413
  H     16.33606178      8.65865511    -19.57327548
  O     16.48276254      6.29656564    -13.49177605
  H     13.40802042     14.39150573    -14.85391177
  H     15.73214178      9.60875331    -12.11054910
  O     19.26436031      9.97405433    -11.70103750
  H     15.54167849      6.12392904    -13.36541184
  H     15.84485269     10.96470737    -12.88641893
  O     13.64346387      5.94167218    -13.27690291
  H     16.59592828      6.45140271    -14.43616350
  H     14.91004333     11.40303911    -16.51633529
  O     15.62066870     10.97819773     -8.88607306
  H     18.80893365      9.12954526    -11.62022810
  H     13.73322885     10.90371271    -15.63164535
  O     13.14091894      7.79141104    -11.36902015
  H     18.70302479     10.64933125    -11.29051654
  H     18.46222576      6.73542047    -11.08824014
  O     13.59613862      9.11539932    -17.95010376
  H     13.23009245      5.12262887    -13.01687745
  H     17.44098893      7.03481707    -12.20620742
  O     15.61645626      8.70053699    -10.50845755
  H     13.41974268      6.59720070    -12.59222613
  H     12.47076949     10.16670151    -12.96381310
  O     16.51887964      7.28795848    -16.21958029
  H     15.39602238     11.24480239     -7.99922672
  H     11.16980374     10.64751996    -12.28203753
  O     13.76413091      7.32663828    -15.71935497
  H     14.95416489     11.37158302     -9.47990818
  H     15.07556099     13.14599318    -13.37510496
  O     17.71523834      9.28932698    -14.82630900
  H     12.65947159      8.61236723    -11.51721137
  H     16.58432254     12.84292104    -13.47845944
  O     16.21141965      8.81178561    -18.64057394
  H     13.98698953      8.04955995    -10.97544375
  H     19.76593320     10.57370767    -13.21181404
  O     15.80281618     10.00471393    -12.98774401
  H     13.54128186      9.97999413    -17.52466238
  H     20.85615891     10.91268762    -14.25986635
  O     13.96257486     11.51403881    -16.34991381
  H     13.45406594      8.45757553    -17.25675295
  H     17.00536266     11.68537640     -9.98193702
  O     17.90717988      7.42441550    -11.44559571
  H     15.72647098      9.38671981     -9.83828440
  H     17.05906752     12.42512888    -11.33253971
  O     12.06414910     10.36723597    -12.10321584
  H     16.45753185      8.24511064    -10.64441933
  H     17.02798317     10.41295603    -16.08490552
  O     15.82844000     12.80506778    -12.86948909
  H     17.00984707      7.95551138    -15.71319466
  H     16.62362457     10.37747708    -17.56086999
  O     19.91350057     10.87099450    -14.12949493
  H     16.50659470      7.62124195    -17.12433299
  H     14.50888300     12.40873150    -11.45231551
  O     17.59964189     11.94455305    -10.69674678
  H     13.60611654      6.75270344    -14.95881616
  H     13.29266204     11.48613251    -11.19833273
  O     16.67752314     10.96601118    -16.79876736
  H     14.71548004      7.28321856    -15.89867258
  H     18.59036625     12.17994966    -14.53916476
  O     13.97324028     12.01027873    -10.75754364
  H     18.55191502      9.72739261    -14.63186651
  H     17.45959798     12.32445832    -15.57689403
  O     17.79683946     12.68862377    -14.75001902
  H     17.10225566      9.49326622    -14.10402449
  H     13.47872815      8.85616505    -14.81563518
  O     13.46707337      9.69729311    -14.34151056
  H     15.25222287      8.90292095    -18.49778202
  H     14.31194717      9.76272394    -13.86926216
          69
 Energy    -248.35098350462940     
  O     15.72451980      9.82279451    -11.60246975
  H     15.08528783     10.38764367    -11.14370522
  H     17.23238027      7.91394157     -5.99942242
  O     19.14681862      4.94144490    -10.39809152
  H     16.30529484      9.46375317    -10.91540242
  H     12.72086927      8.77864737    -12.13847926
  O     13.34276171      5.85505906    -10.98745897
  H     18.98354004      5.74357362    -10.92648294
  H     14.26846067      8.75302136    -12.06996633
  O     16.57206887      3.77684681    -10.14682323
  H     19.91106854      4.51492100    -10.77712113
  H     18.22946406      7.73799681    -10.94586816
  O     17.19031275      8.75545660    -13.67834421
  H     13.87974456      5.23614083    -11.49761356
  H     18.26608770      7.66217813    -12.47658798
  O     18.55478688      8.61847890     -7.22071919
  H     13.30614368      6.68590052    -11.48450848
  H     15.26008416      5.16281929    -13.08462651
  O     15.55018835      4.54050549     -7.73171860
  H     17.46485264      4.13287183    -10.24253031
  H     14.95889712      3.65048599    -13.17662659
  O     17.24324843      8.58023659     -9.68026818
  H     16.12286680      3.95607976    -10.98060607
  H     13.44918450      8.00161093     -4.65663162
  O     15.16435096      6.91226019     -9.13075875
  H     17.51396466      9.41328513    -14.28855047
  H     13.64047502      7.03146828     -5.84723163
  O     13.76403625      9.04674038     -8.00714960
  H     16.67443095      9.23234024    -13.00568194
  H     12.14696125      5.59122133     -9.70522632
  O     11.24220026      8.38328245     -9.05408316
  H     19.29613581      9.13207367     -6.91123187
  H     10.90044479      4.84987969     -9.17051376
  O     16.73832109      7.31781470     -5.42372355
  H     18.89597977      7.72912036     -7.43290860
  H     12.90549075     10.75170029    -10.52330783
  O     13.49581729      8.24430275    -12.35340357
  H     15.87959783      4.16348126     -8.56241374
  H     13.78932357     10.43735988     -9.30211200
  O     18.62378726      7.25034680    -11.68423193
  H     16.27401659      4.52403382     -7.09411688
  H     17.82705885      4.35386738     -5.05982697
  O     15.11862997      4.35725005    -12.55613934
  H     16.54201950      7.93589615     -9.49487615
  H     17.29865502      5.69799563     -5.62297156
  O     13.94526392      7.87327137     -5.46070738
  H     17.69386082      8.74841400     -8.84521472
  H     12.55789935      5.54697830     -7.36751924
  O     11.51368957      5.55214699     -8.96827044
  H     14.58133367      6.56568439     -9.81648870
  H     13.96808938      5.07699441     -6.96216430
  O     13.74757796     10.97096995    -10.10794965
  H     15.36549667      6.16591526     -8.55106545
  H     10.56816276     10.20233448    -11.57344363
  O     17.62763817      4.81336046     -5.87054504
  H     14.26189009      8.33048722     -8.42748001
  H     11.24809668      9.28328158    -10.52854955
  O     13.18936254      5.55234996     -6.63910654
  H     13.79438014      8.85211272     -7.06306298
  H     18.81785921      5.51354138     -7.17198922
  O     11.39935736      9.79750919    -11.34302482
  H     12.05983334      8.64398766     -8.60733958
  H     19.26316268      5.66265540     -8.65083839
  O     19.30284960      6.08210991     -7.78332839
  H     11.19613843      7.42339939     -8.98102715
  H     14.52274401      7.21254084    -13.56701441
  O     15.25373465      6.69329800    -13.92802776
  H     15.81366294      7.59141135     -5.44036016
  H     15.99909910      7.30444866    -13.96690539
          69
 Energy    -248.35077517563681     
  O     16.44447077     11.51884488    -16.89109035
  H     15.91646848     10.71483122    -16.97120161
  H     19.12295020      4.48748102    -13.06287486
  O     15.38351306      6.80476833    -13.06914327
  H     16.15487478     11.95122934    -16.07810429
  H     16.79405148      8.83483452    -18.19880639
  O     19.57867348      7.87875774    -12.60916235
  H     16.07145393      6.57745182    -12.42869746
  H     18.25741289      9.28460740    -18.21193815
  O     17.14954208      5.93421604    -18.37322217
  H     15.05043864      7.67616964    -12.81705400
  H     17.42701689      6.83338286    -15.51965114
  O     14.37289172      6.34069603    -17.58799321
  H     19.40471744      8.53770686    -13.29659917
  H     16.44311878      7.33701401    -14.42611566
  O     14.74181776      9.42249416    -12.42111611
  H     19.94577303      7.11478345    -13.07146912
  H     16.12125597     11.98833046    -13.75806514
  O     18.77105145      9.60359617    -14.64567504
  H     17.43756665      6.83655301    -18.57758684
  H     15.38992624     13.32736652    -14.00459880
  O     16.79388157      3.29684021    -14.72149047
  H     16.20040160      5.99101032    -18.21397379
  H     16.03029926      8.31869902     -9.25586788
  O     14.44378815      8.88193144     -9.74370158
  H     14.43618566      5.89304924    -16.72496289
  H     17.01375296      7.88426428     -8.14242293
  O     18.30923430      5.28743336    -16.02636565
  H     13.61467213      5.97030019    -18.03205055
  H     14.12468759      9.78397513    -15.55909555
  O     14.63878000      5.11032541    -15.17545455
  H     14.22976780      9.66966621    -13.20457695
  H     14.22345458     11.10094163    -14.76063285
  O     18.34167000      4.10476962    -12.64556015
  H     15.59273782      9.87475823    -12.50001404
  H     21.13906794      5.33807227    -14.50352155
  O     17.64832756      8.64977255    -18.60490515
  H     19.01359462     10.02168677    -15.47947065
  H     19.65533196      5.53339075    -14.88585251
  O     16.99968910      7.62182573    -15.16277771
  H     18.14958770      8.88937620    -14.86258179
  H     17.32799114      6.86661253    -10.50190456
  O     15.54964924     12.46619340    -14.38219400
  H     17.28537556      3.51870085    -13.91048502
  H     18.20918721      6.97146081    -11.77587775
  O     16.93702855      8.01040921     -9.08450947
  H     16.81144438      2.34684779    -14.80221593
  H     18.03300929      9.24917398    -10.06571171
  O     13.73969291     10.26659361    -14.81827419
  H     13.52184555      8.83635080     -9.50414066
  H     19.06505687      9.16452568    -11.20654206
  O     20.29081266      5.59745295    -14.15210181
  H     14.46509019      9.11680859    -10.68568460
  H     17.69351089     10.50118840    -13.50565079
  O     17.52360556      6.44042418    -11.34469257
  H     18.00031807      5.44507822    -16.93246637
  H     17.57909284     10.64151527    -11.97376945
  O     18.52642939      9.78431905    -10.69865392
  H     17.78838738      4.55715308    -15.66850849
  H     19.55956598     11.42428531    -17.63159071
  O     17.12915782     10.85571731    -12.80357851
  H     15.28429665      4.40369706    -15.05503400
  H     18.12745416     11.13213163    -17.12054931
  O     19.02954681     10.76805265    -17.18724253
  H     14.73532156      5.67613941    -14.39759492
  H     14.79942894      8.13692479    -17.24188101
  O     15.26685482      8.90146647    -16.88114623
  H     18.00365602      4.79455193    -12.05863187
  H     15.91295640      8.52513468    -16.26205051
          69
 Energy    -248.35060100066778     
  O     15.52129300      8.65392239    -14.83842255
  H     16.18555056      7.94959606    -14.81636743
  H     12.71871494     10.98493970    -13.26166310
  O     15.32416594      9.60220666     -8.20071951
  H     14.65539164      8.22799060    -14.77815380
  H     13.45169940     13.64966785    -10.57012438
  O     17.21496889     10.89976580    -14.70144603
  H     15.58228564      9.68720330     -7.28714046
  H     13.59972157     12.40184134    -11.47092370
  O     12.79325826     10.34486117     -9.34645151
  H     15.72655564     10.35083622     -8.67812425
  H     17.04596130      3.38004697    -11.64530291
  O     13.15637187      7.32988622    -14.24511160
  H     16.62343313     10.15356063    -14.87669501
  H     16.91860744      4.89649196    -11.89272244
  O     17.48147992      6.75509752    -14.49975613
  H     16.65712087     11.68564025    -14.78421608
  H     15.39059022      8.24123858     -9.46611647
  O     19.26790533      8.91316164    -14.50939459
  H     13.03599553     11.20722610     -9.70478601
  H     15.28361623      8.43001867    -10.99675684
  O     17.49739496      6.60767530    -11.65691494
  H     13.57273729     10.02962478     -8.87469466
  H     16.33921855      4.09486116    -14.04257469
  O     11.20330138      8.70748891    -10.81182560
  H     13.17744339      7.15450267    -13.29332908
  H     15.30152402      4.43945522    -15.12699461
  O     15.24297945     12.85082115    -14.71750673
  H     13.16163530      6.46443112    -14.67219164
  H     12.78460020      4.01812495    -15.47201147
  O     11.57602449      9.61704715    -13.51670444
  H     17.46769847      6.70476547    -13.53498798
  H     13.41701083      4.37825558    -14.10489273
  O     13.48962016     11.50227837    -12.98988504
  H     17.12833172      5.91373621    -14.82281172
  H     15.39605387      9.21902458    -13.15560204
  O     13.75139303     12.74421186    -10.57376264
  H     18.74319547      8.12316287    -14.70410298
  H     16.15372316     10.05901649    -12.08424317
  O     16.51897235      4.03614183    -12.09592868
  H     18.71248043      9.67075943    -14.73253815
  H     17.66924062     11.02350840    -12.89141815
  O     15.37248635      7.75711173    -10.29969465
  H     18.22762885      7.23681806    -11.60639735
  H     18.38258847     10.18393775    -11.79483189
  O     16.24980981      4.36091370    -14.96631794
  H     16.77345424      6.97499400    -11.12884665
  H     12.36581105      7.32742487    -11.21297730
  O     13.38294099      4.62693863    -15.04709118
  H     10.36075389      8.64459284    -10.36942717
  H     13.86500925      7.00586907    -10.98387331
  O     15.32533066      9.59455485    -12.26635878
  H     11.75665749      9.30344210    -10.27629251
  H     20.38586356      8.64348182    -11.53231324
  O     17.74408208     10.89454543    -11.93450818
  H     14.56600747     12.42679409    -14.16800327
  H     19.50499965      8.72990664    -12.80310832
  O     13.08059038      6.73631356    -11.48092429
  H     14.76994265     13.30428546    -15.41160936
  H     15.48280038     12.15015998     -9.99538619
  O     19.48060584      8.63696129    -11.83238408
  H     11.34637154      9.32641330    -12.62484996
  H     16.85729726     11.55998967    -10.40447040
  O     16.26000933     11.68830113     -9.65669697
  H     12.01097483      8.86207899    -13.93286273
  H     14.60379213      4.06591873    -12.18626967
  O     13.66554565      4.16024651    -12.39079704
  H     14.13795965     10.84844115    -12.68607279
  H     13.37871440      4.98481358    -11.97336948
          69
 Ord_Energy   -248.350418    
 O   -14.8131495      -7.22625589       7.20989132    
 H   -15.5115452      -7.85877323       7.35383415    
 H   -14.4720974      -7.37931585       6.30932617    
 O   -13.2964573      -2.70701551       8.85827923    
 H   -13.8334227      -3.28803968       8.29214001    
 H   -13.9006329      -2.10152197       9.28008175    
 O   -7.10822868      -4.66937971       1.73671782    
 H   -7.83841467      -5.16145325       2.13687968    
 H   -6.45814419      -4.53602505       2.43774796    
 O   -7.77049971      -4.85400724       5.36329746    
 H   -8.29841614      -5.19829559       4.62904739    
 H   -6.90838528      -4.61492825       5.00059366    
 O   -9.10710812      -2.38929749       5.38647795    
 H   -8.64635086      -3.23669243       5.47605705    
 H   -9.65977383      -2.28995371       6.17110014    
 O   -11.0253496      -6.91727734       4.95320463    
 H   -10.6440907      -7.46027470       5.65490437    
 H   -11.3297424      -6.10056305       5.37978697    
 O   -6.91416407      -1.55259168       3.79264164    
 H   -7.29728365      -1.58774674       2.90702081    
 H   -7.65503120      -1.63673174       4.40790510    
 O   -12.2922134      -7.38792419       8.57172108    
 H   -12.2153711      -6.58941603       9.11420345    
 H   -13.1720524      -7.37880898       8.18140793    
 O   -14.5440884      -5.67447376       2.73991394    
 H   -13.8768749      -4.98927546       2.91674280    
 H   -14.6358290      -5.72505808       1.79189742    
 O   -8.45909023      -5.96723509       7.82103729    
 H   -8.96757126      -6.76645422       7.64020872    
 H   -8.16047001      -5.62500191       6.96765423    
 O   -10.1074104      -8.20775604       7.25682116    
 H   -10.8994884      -7.94191885       7.76152611    
 H   -9.91925049      -9.11152649       7.49323511    
 O   -8.09886646      -2.18262291       1.25316310    
 H   -7.95253420      -1.88460529      0.359849751    
 H   -7.71764755      -3.07696009       1.32004237    
 O   -10.7276363      -2.62911606       7.65342903    
 H   -10.1865416      -3.07456326       8.32109928    
 H   -11.5915031      -2.47776294       8.05748844    
 O   -5.51890373      -3.88123417       4.00172520    
 H   -5.91947603      -2.99459291       3.94807482    
 H   -4.58781338      -3.75654316       4.16225004    
 O   -14.5609064      -4.45588827       7.18813276    
 H   -14.7497301      -5.39793968       7.28747749    
 H   -14.9702024      -4.15518141       6.36320686    
 O   -10.2601414      -2.90046716       2.90113115    
 H   -9.92756748      -2.63943410       3.77301478    
 H   -9.62850666      -2.57266998       2.25020123    
 O   -11.9752951      -5.02750015       9.99189854    
 H   -12.4737082      -4.24316931       9.73826981    
 H   -11.0468588      -4.76486349       9.95300293    
 O   -13.7788877      -7.51162291       4.73860884    
 H   -12.8157263      -7.43810415       4.72839308    
 H   -14.0976648      -6.96779299       4.00755692    
 O   -9.31227207      -4.11406183       9.54497433    
 H   -8.62838173      -3.93322992       10.1832533    
 H   -8.97219276      -4.81246185       8.95501041    
 O   -15.4112816      -3.67436051       4.68497515    
 H   -14.5898981      -3.30556583       4.33284616    
 H   -15.5710039      -4.43299103       4.11307907    
 O   -11.9810972      -4.57842588       6.05156660    
 H   -11.4486465      -3.96678996       6.57367468    
 H   -12.8399258      -4.64730453       6.48793411    
 O   -12.8079081      -3.67404103       3.55805063    
 H   -12.0175018      -3.29357004       3.15609384    
 H   -12.5226078      -3.99020863       4.42804050    
 O   -9.35688972      -5.58306837       3.18649840    
 H   -9.97112083      -6.14819050       3.67525220    
 H   -9.79040337      -4.72987938       3.04779887    
          69
 Ord_Energy   -248.350143    
 O   -6.63167429       1.15729737       1.70258868    
 H   -6.55059719      0.195997417       1.79401493    
 H   -6.40814400       1.34808910      0.781045020    
 O   -5.89222860       1.59326327     -0.973242819    
 H   -6.28206825       2.47930479     -0.967993379    
 H   -4.93257093       1.72883379     -0.924064696    
 O  -0.658469379       2.78030133       4.29009342    
 H  -0.265942007       3.38132620       4.91866779    
 H   -1.47594011       3.20278049       3.97706747    
 O   -5.99594212      -1.49536026       1.56919587    
 H   -5.35361671      -1.99730074       2.08338380    
 H   -5.69413042      -1.51220870      0.653008401    
 O   -7.40076923       3.74407911       2.26634407    
 H   -8.24572659       3.79401422       2.70713091    
 H   -7.20084238       2.79934502       2.16115069    
 O   -1.92613864      -2.22179651       1.42384791    
 H   -1.12526822      -2.07227492       1.94346404    
 H   -2.61152482      -2.55298018       2.02089763    
 O   -2.40779591      0.515033126       1.55025983    
 H   -1.51953697      0.837990284       1.74644327    
 H   -2.34312558     -0.444447309       1.46437430    
 O   -2.40066624      -1.43737781      -1.24112403    
 H   -2.18020177      -1.85078728     -0.396125466    
 H   -3.36145687      -1.34707570      -1.25572813    
 O   -1.08449209      0.780041754      -2.11296105    
 H   -1.47596967      -6.16513602E-02  -1.81569624    
 H  -0.778787971      0.638183475      -3.00486803    
 O   -3.67729974     -0.828048408       4.85752392    
 H   -2.75880075     -0.604306102       5.06488132    
 H   -4.05413961      -2.82525904E-02   4.46944284    
 O   -2.99134040       3.77935529       3.25826597    
 H   -3.66222620       4.47352552       3.18895721    
 H   -3.48573041       2.94924235       3.33855677    
 O   -4.42206097       5.88977861      -6.89608306E-02
 H   -4.13498974       6.68563843     -0.509960115    
 H   -3.62841511       5.34839964       7.22300187E-02
 O   -2.34198070       4.15536213      0.518171906    
 H   -2.48698640       4.02157450       1.46486557    
 H   -2.71897173       3.38555741       6.45777881E-02
 O   -5.10455036       5.43372965       2.68995690    
 H   -5.89771748       4.88499594       2.64434290    
 H   -4.94766092       5.73817921       1.78792453    
 O   -6.69611120       4.17471504     -0.495494008    
 H   -7.05221319       4.13978672      0.400814444    
 H   -5.95128441       4.78707361     -0.453843892    
 O   -4.02035046      -2.86258268       3.14657354    
 H   -4.27779055      -3.65040970       3.61758494    
 H   -3.90864539      -2.15930820       3.81346560    
 O   -4.33842325       1.39859581       3.27845573    
 H   -5.17036676       1.36001337       2.79139400    
 H   -3.66309547       1.01462138       2.69698906    
 O   -3.20972657       1.85068119     -0.695882797    
 H   -2.56847906       1.58203089      -1.36496735    
 H   -2.99617529       1.33263397       9.65299085E-02
 O   -5.27347946      -1.10430777      -1.20219111    
 H   -5.56537580     -0.177913964      -1.19606900    
 H   -5.81763411      -1.55142021      -1.84751225    
 O   0.348384798      -1.33050489       2.87021279    
 H   0.432142049     -0.418260276       2.54125094    
 H    1.23492956      -1.67069137       2.96391678    
 O   0.242533922       1.28591132       2.11599541    
 H    5.97110316E-02   1.88960612       2.84799123    
 H   0.317100853       1.80313742       1.30006671    
 O    5.82444817E-02   2.67870069     -0.208424032    
 H  -0.650480986       3.31344819      -4.44947705E-02
 H  -0.259212434       2.07227540     -0.888950348    
 O   -1.02794635      -3.20856087E-02   5.10505199    
 H  -0.913051963      0.903197944       4.90265322    
 H  -0.533329070     -0.518019378       4.43521261    
          69
 Energy    -248.34974419728925     
  O     13.86397286     10.22915550    -16.32080069
  H     13.26993638     10.93675789    -16.56421668
  H     20.22959517      7.06957224    -15.18510095
  O     15.18555966      3.42626904    -16.91079694
  H     14.27338841     10.48881698    -15.48137507
  H     17.55408648      8.21990541    -16.08912011
  O     16.47871581      6.80107127    -11.64219676
  H     16.12469239      3.32646506    -17.10031315
  H     18.93141452      8.70251470    -16.58956154
  O     20.34927814      7.57754717    -17.03435276
  H     14.94322469      4.29098318    -17.27648237
  H     16.00735421      7.22269132    -14.94775573
  O     18.61151837      6.08338809    -18.48110137
  H     17.34546588      7.22270494    -11.68574077
  H     15.92613616      6.51722729    -16.33948234
  O     13.69041765      5.86688799    -11.17496026
  H     15.95343684      7.24079526    -12.32879321
  H     12.63913320      7.18612756    -15.54145320
  O     14.40234002      4.03352795    -14.37171677
  H     19.76274455      7.01525320    -17.57301607
  H     13.12170484      8.44437367    -16.31470790
  O     15.04159056      7.96462110    -13.65752928
  H     21.13727777      7.72434940    -17.54999692
  H     14.03325645      3.27435791    -12.74938474
  O     18.13786933      4.74043968    -14.83433260
  H     17.82792649      6.47783198    -18.88157749
  H     13.68791924      2.24655748    -11.64974730
  O     17.66024906     10.19405456    -13.82414353
  H     18.36475792      5.20055562    -18.18045061
  H     13.99999455      6.56607941    -17.33432147
  O     18.05096937      3.54057336    -17.28314735
  H     13.78148497      4.90597829    -11.20917796
  H     15.14736501      6.48773104    -18.41155719
  O     20.00756934      6.75630721    -14.30082188
  H     14.58595869      6.20917018    -11.07824041
  H     19.61913437      8.36313707    -11.62911831
  O     18.06490924      9.01596478    -16.30618227
  H     14.61124755      3.72555045    -15.26558653
  H     19.32525501      7.66216138    -12.97203370
  O     16.53256764      6.80594232    -15.64483582
  H     15.24457284      4.24581084    -13.95028855
  H     16.62675098      5.09955145    -12.19589463
  O     12.81625705      7.53596853    -16.42328315
  H     14.19422650      7.50418316    -13.73431097
  H     15.99781721      3.68326558    -12.11076777
  O     14.12067656      3.08297995    -11.79983677
  H     14.89611888      8.91585603    -13.65908114
  H     16.19419242      8.23538674    -19.11496828
  O     14.74904601      6.04160236    -17.65521474
  H     17.73953368      4.41445564    -14.01657462
  H     16.15158280      7.56024555    -20.50756632
  O     18.91418518      8.14879270    -12.23534029
  H     17.59146628      5.48696919    -15.13263629
  H     13.30289810      5.51338605    -14.15020422
  O     16.64565697      4.21255626    -12.58733462
  H     17.88339400      9.88370360    -14.71363780
  H     12.93175967      6.24050273    -12.84961128
  O     16.28197033      7.38355454    -19.57979485
  H     18.06533286      9.56435321    -13.21698284
  H     14.83404136     11.39019331    -13.16038295
  O     12.86552546      6.30988985    -13.81348964
  H     18.15356847      3.88550241    -16.37899086
  H     16.00946085     10.63714793    -13.83386823
  O     15.04331674     10.77330041    -13.85623598
  H     18.63928319      2.79326408    -17.35954805
  H     16.80499680      9.56607826    -17.51458281
  O     16.04914957      9.64155811    -18.11488912
  H     19.48214255      5.95625247    -14.43623446
  H     15.28709380      9.84548197    -17.56211265
          69
 Energy    -248.34973935354100     
  O     16.24167420      9.69699521    -15.98817660
  H     15.49176079      9.40611584    -15.44981425
  H     18.39918556      3.39702504    -16.03261313
  O     13.90943723      5.97441383    -15.66007571
  H     17.00108561      9.76054544    -15.39894450
  H     18.59911425      6.25584615    -18.05964040
  O     18.41559097      5.08226284    -12.37626564
  H     14.87995392      6.06897667    -15.64995639
  H     17.85549984      7.63230102    -17.96401096
  O     18.78741076      4.62651932    -18.89964462
  H     13.71635310      5.16690813    -16.13556919
  H     16.86091943      6.65414472    -14.67443542
  O     16.20632707      4.02521311    -18.42692146
  H     18.03731394      5.95433204    -12.56855680
  H     17.23724218      6.49143079    -16.18154903
  O     15.27458850      6.66308531     -9.30491888
  H     19.19171173      4.99701694    -12.94182328
  H     14.23504567      8.46778081    -13.54734205
  O     14.08526683      5.10232751    -12.94019091
  H     19.09167908      4.32414060    -19.75041415
  H     13.82363339      7.83534433    -14.88749005
  O     17.24547980      7.44414927    -13.07431490
  H     17.85228452      4.36075821    -18.82114646
  H     15.46708923      1.76397338     -9.75836687
  O     16.54566447      3.45610101    -15.65889208
  H     15.68647101      4.84131253    -18.46133977
  H     14.90067679      3.14362522    -10.17451797
  O     13.69598233      4.42737902    -10.21458048
  H     16.18514576      3.69844014    -17.51842175
  H     21.38758288      4.70921778    -14.15686055
  O     20.01280702      7.68214624    -15.30942483
  H     15.36670967      7.03131566     -8.43039276
  H     20.10246147      4.52171817    -14.99511431
  O     19.30705066      3.63824801    -16.25794255
  H     16.04752155      6.08822828     -9.45040918
  H     16.09961708      2.91978150    -12.04229143
  O     18.43039225      7.01737424    -17.49032927
  H     14.84823172      4.50643997    -12.97069375
  H     17.05752359      3.92319722    -12.73548698
  O     16.63308598      6.19218018    -15.49089671
  H     13.87591372      5.33892677    -13.84940156
  H     17.81691561      4.97460029    -10.59985888
  O     14.12806978      8.65692122    -14.48802579
  H     16.40295512      7.62147502    -12.63577881
  H     16.86377954      4.03039022     -9.84351229
  O     15.67330858      2.55497135    -10.24838218
  H     17.64547626      8.28156709    -13.33862222
  H     15.36187089      7.26247042    -18.54246370
  O     20.49943525      5.03813944    -14.27087932
  H     16.64263884      4.42057312    -15.59970144
  H     14.30166385      6.62502087    -17.64198132
  O     16.27952850      3.36371754    -12.87979960
  H     16.39503543      3.16711604    -14.75080692
  H     14.48291862      6.73140091    -12.25082363
  O     17.28786786      4.89592267     -9.79521488
  H     13.60281866      4.64040348    -11.15278943
  H     14.89409800      7.45983717    -10.95771223
  O     14.81949584      6.46960064    -18.43558988
  H     14.08139728      5.21286085     -9.80639166
  H     19.03833203     10.37155212    -13.92625245
  O     14.75260420      7.59507054    -11.90283655
  H     19.56283186      7.47445134    -16.14112730
  H     19.12383878      8.98317140    -14.61027932
  O     18.51101428      9.63406793    -14.21993971
  H     20.22743642      6.83478129    -14.90367601
  H     16.46489772      9.48491088    -19.10528346
  O     16.49467002      8.76084536    -18.48646170
  H     19.28041162      3.91965676    -17.17961843
  H     16.37716715      9.14379318    -17.59634000
          69
 Energy    -248.34969042115466     
  O     11.07056351     11.40277424    -11.72941124
  H     11.39945337     11.31052677    -10.82315965
  H     13.04604616      8.16050316    -13.12706300
  O     13.58209527      8.55172396    -17.08680701
  H     11.31831900     12.28222408    -12.03983664
  H     16.71656163      8.72464197     -9.94842053
  O     10.06648914      8.74316431    -14.84565336
  H     13.85838835      8.63599725    -17.99502283
  H     15.19695748      8.80747807    -10.22448334
  O      7.94836615      9.31204464     -9.95499805
  H     14.35904866      8.76373759    -16.53471729
  H     10.35536136      8.16366530     -8.06293063
  O     12.18020141     13.83358868    -12.55605199
  H     10.54933251      7.95989953    -15.13163184
  H     10.87522682      7.21222444     -9.15487875
  O     15.62483045      9.22899337    -15.51567904
  H     10.60187524      9.48549274    -15.15464386
  H     13.32512472     12.35125525     -9.89931107
  O     13.32594970     12.98594967    -14.85986382
  H      7.24297770      8.67066317     -9.99020371
  H     13.33713664     13.30468061    -11.11719497
  O     15.41413186     11.21888108    -12.06236928
  H      8.41345849      9.24420225    -10.80504363
  H     12.53957337      7.32997318    -16.25309053
  O     13.25640204      7.24335124     -7.20683886
  H     12.60321942     13.57218968    -13.39350514
  H     11.87742823      5.93406578    -16.22407963
  O     12.16438076     10.53254475    -15.58478402
  H     11.81621569     14.70393612    -12.69324065
  H     13.58670163      8.17537547     -8.68301290
  O     13.07270599      9.95033434    -13.02502801
  H     15.78393603     10.14663715    -15.27041410
  H     12.87652981      8.27184531    -10.06390738
  O     13.04953369      7.18896116    -13.15114212
  H     15.78212928      8.69104595    -14.72556489
  H     11.97148338      7.19310925    -11.66858992
  O     16.07557803      8.92857499    -10.62445087
  H     12.83863437     12.24836353    -15.25083369
  H     10.74330173      8.06668752    -11.33535144
  O     10.71251477      7.27889958     -8.20366395
  H     14.25137327     12.71327590    -14.85442233
  H     16.01441710      8.03951838    -12.34004647
  O     13.90814613     12.85582592    -10.48046700
  H     15.76158195     10.48313564    -11.54380336
  H     14.92701048      7.33590756    -13.16694012
  O     11.97070111      6.74370753    -15.72798535
  H     14.96283346     11.82923227    -11.45927388
  H      9.60793062      8.97434767    -13.12507579
  O     13.59335775      8.64389992     -9.53174446
  H     13.45343479      6.46357773     -6.69539914
  H      9.97480467     10.04300152    -12.05791547
  O     11.43335244      7.52121676    -10.93516295
  H     12.31680141      7.17377343     -7.45220269
  H      9.29659782     10.34700550     -7.27143890
  O     15.82543327      7.68950904    -13.21748677
  H     12.61043535      9.96025193    -16.21952299
  H      9.07386824      9.81057987     -8.70407745
  O      9.53363803      9.18948417    -12.18475689
  H     12.53853154     10.31135566    -14.71664989
  H     16.80264760     12.40787005    -14.67944797
  O      9.75388430     10.00322761     -8.03508683
  H     13.90474785     10.34956773    -12.74469940
  H     15.85539972     11.71503342    -13.67208594
  O     15.97681647     11.93489268    -14.61289511
  H     12.36549568     10.41098605    -12.55501277
  H     12.70066819     10.23398230     -9.25905140
  O     12.12445528     11.00928788     -9.20396076
  H     12.67780255      6.93148479    -14.00268204
  H     11.33773917     10.73284562     -8.71692308
          69
 Energy    -248.34967818296735     
  O     -5.70323028      3.41626380     -1.68914995
  H     -5.29771411      2.70306296     -2.19616352
  H     -4.23725380     -0.20965790      2.39687262
  O     -2.10093164      3.26537551     -3.70656187
  H     -5.92104446      3.03153108     -0.83189657
  H     -0.55306945      2.28341420      1.76817842
  O     -5.63328701      1.89910078      0.75744902
  H     -2.05399523      3.65590506     -4.57534149
  H      0.67564861      1.63190647      2.43923584
  O     -3.09244775     -1.03666794      1.17368159
  H     -2.53500096      3.91916177     -3.12634748
  H     -1.46676478      4.08214674      0.39598735
  O     -0.27312749     -0.29389110     -1.57749739
  H     -4.74410285      1.82946129      0.37152634
  H     -0.65559196      3.05936664     -0.48591176
  O     -3.96309034      1.31061621     -2.78362195
  H     -5.57844045      1.38335962      1.57626587
  H      2.51826499     -1.20227044      0.25417816
  O     -4.41145143     -2.42198194     -0.87867568
  H     -2.13740912     -1.17812939      1.22584031
  H      2.98529848     -2.15693036      1.38058552
  O     -2.58082731     -1.22519548     -2.72726755
  H     -3.46182638     -1.64186536      0.51834504
  H      2.49547753      0.43394975      1.71777604
  O      0.00744803      2.39936180     -2.04091788
  H     -1.03370925     -0.69135508     -2.02446278
  H      2.45565019      1.76013090      0.93847998
  O     -0.35281643     -0.81811364      1.20071195
  H     -0.36207840     -0.47140736     -0.63225789
  H     -2.46932916      2.32913092      4.77870447
  O      2.50864682     -0.53742563     -1.36625728
  H     -3.38722473      1.90378171     -3.28016223
  H     -1.79035340      1.95393165      3.44678752
  O     -4.75495413      0.42889735      2.90744593
  H     -3.62087788      1.31913376     -1.87182432
  H     -5.44136477      0.27460705     -1.97647102
  O     -0.29022038      1.68494300      2.48522752
  H     -5.04185509     -1.69014593     -1.00390150
  H     -6.04955147      0.43600084     -0.57141249
  O     -1.06665099      3.20427228      0.37668130
  H     -4.91316864     -3.23115835     -0.92994587
  H     -2.41575441      2.01103647      0.06753969
  O      2.39544974     -1.43232894      1.19288797
  H     -3.15715132     -1.75846234     -2.16636929
  H     -3.02240428      0.57211466      0.29180610
  O      2.35220481      1.38284635      1.82068893
  H     -3.08265129     -0.42854587     -2.93628015
  H     -2.44373627      6.41553646      0.99243897
  O     -2.64397953      2.17545493      3.85272040
  H     -0.63630113      2.70495391     -2.69101126
  H     -3.15365677      5.04991325      1.16692223
  O     -5.92847343     -0.19628646     -1.28912436
  H     -0.12841415      1.44480292     -1.92489443
  H     -3.10735134      5.24937465     -1.18212572
  O     -3.10697014      1.39693000     -0.20490830
  H     -0.36304836      0.02237856      1.68055779
  H     -4.27224821      4.53350836     -1.89864408
  O     -2.54774776      5.55568473      0.59458351
  H      0.54249342     -1.16967638      1.27875995
  H     -3.60286828      3.40129985      2.75945842
  O     -3.39759964      4.92449975     -2.04115543
  H      2.70892931      0.40438966     -1.30279068
  H     -4.76314132      3.40315815      1.74546142
  O     -4.08632715      3.96285517      2.14000703
  H      1.57548406     -0.57972327     -1.62026101
  H      1.70262031      2.42938059     -1.37866509
  O      2.55905052      2.30408184     -0.93943500
  H     -4.09815021      0.97818210      3.35115382
  H      3.13592976      2.98934296     -1.26917290
          69
 Energy    -248.34966352080420     
  O     10.38870276     11.13397488    -10.46773341
  H     11.16948883     11.45855809     -9.98472154
  H     13.06261498     12.79556663     -9.48308756
  O     14.57025831     10.52534720    -12.42802381
  H      9.65412330     11.17561862     -9.86120366
  H     11.05030735     10.66508218    -17.89223126
  O     16.94977217     12.48803413    -14.62581466
  H     15.51682540     10.70520911    -12.35756816
  H     12.21014734     11.08788925    -16.96403619
  O     15.59863242      7.05548688    -12.22458090
  H     14.33293901      9.88266083    -11.74828407
  H     14.02492151     13.42406526    -14.24367770
  O     10.71940416     11.98158059    -13.12046630
  H     17.03398628     11.92120916    -15.40050602
  H     13.83734711     14.25751287    -15.53703058
  O     12.45673502     15.18979793    -16.17951380
  H     16.15074355     13.01036748    -14.77830290
  H     17.03224406     10.98870037    -17.83001162
  O     13.97655511     11.27865250    -16.56520502
  H     16.42560604      7.52355852    -12.40734664
  H     15.74982869     10.97132876    -16.97177831
  O     14.74257684     10.22384114     -8.64275070
  H     15.30021038      6.72907462    -13.07264386
  H     14.13742835     15.02484730    -10.41485360
  O     13.29004023     12.90711393    -12.68495610
  H     10.91814598     11.14078200    -13.55761253
  H     13.83531374     13.75494323    -11.24475701
  O     14.02717657      9.19520019    -14.74456503
  H     10.48243673     11.76924777    -12.20889486
  H     17.10373225      8.41556078    -14.66075275
  O     17.90633575      8.53866646    -12.93421476
  H     11.71786483     14.58941683    -15.98024281
  H     16.74774604      9.11258751    -15.99529697
  O     12.59504554     12.01379371     -9.16530092
  H     12.06229490     16.00768902    -16.46824263
  H     15.67482162     12.93705737    -10.10133218
  O     11.25161650     10.93388524    -16.99918938
  H     13.97993166     10.55758566    -15.91664845
  H     15.86888917     11.53753578     -9.49724458
  O     14.40999079     13.60200281    -15.11355043
  H     14.09344643     12.11091212    -16.08250980
  H     11.07500781      9.91641201    -15.33755292
  O     16.70098556     10.77791091    -16.96010341
  H     14.96501693      9.76312901     -7.83771255
  H     12.24331574      9.31997456    -14.54444688
  O     14.14888596     14.07202008    -10.37995691
  H     14.46379719      9.54733192     -9.28408186
  H     11.26621508      8.88493260    -12.62189076
  O     16.53743091      8.35080036    -15.43990306
  H     12.35989323     12.70252452    -12.84451010
  H     11.00395304      9.50553120    -11.23580994
  O     16.31745803     12.22376107    -10.00684545
  H     13.74249771     12.05784946    -12.56065670
  H     17.24556590     11.68787370    -13.06769760
  O     11.31312155      9.58099422    -14.46523985
  H     14.22953819      9.65560245    -13.91587318
  H     17.09320119     11.58462131    -11.48877198
  O     11.42097156      8.75573795    -11.67948816
  H     14.84697169      8.76907302    -15.02962897
  H     10.66021692     12.55451124    -16.15402381
  O     17.28994136     11.09500740    -12.30102573
  H     17.74760898      9.46267673    -12.67303510
  H     10.46235669     12.99365797    -14.69544084
  O     10.52363939     13.33124151    -15.59826009
  H     18.81604884      8.34587911    -12.72275749
  H     13.01964723      8.48606814    -10.94103859
  O     13.92622016      8.52613853    -10.59956737
  H     13.28170335     11.39344542     -8.89179083
  H     14.47707634      7.90742536    -11.10032444
          69
 Energy    -248.34946452194441     
  O     -7.93559582      2.43474472     -0.03420915
  H     -7.18184980      2.92044309     -0.41647714
  H     -5.34776720      0.21580062      3.25629294
  O     -4.37767299      2.56366633     -3.26825566
  H     -8.65522574      3.05654374      0.03478026
  H      0.15187492      2.05954976      1.91629163
  O     -6.23061807      1.36640278      1.97092613
  H     -4.69634315      1.68810602     -2.98395844
  H     -0.76169038      0.81445869      1.80760248
  O     -3.24355470     -1.59605799      1.73483680
  H     -4.70099098      2.69822128     -4.15566551
  H     -1.78862097      2.50321868      1.00614502
  O     -1.13511817     -0.48498400     -1.87418026
  H     -5.53913189      1.08443390      1.35136132
  H     -2.86922738      3.54543752      0.53682085
  O     -5.22785498      0.20752045     -2.22811878
  H     -6.94784709      1.70067059      1.42196024
  H      1.99378439      0.54148762      0.77250577
  O     -4.38500065     -3.38656826      0.01542652
  H     -3.77750472     -1.30968035      2.48856496
  H      1.03327111     -0.65892802      0.77738917
  O     -3.49495515     -2.03129111     -2.19313686
  H     -3.70217967     -2.29783579      1.25023991
  H      2.37057952      3.10766990      1.05031872
  O     -1.74134584      2.22007499     -2.29616748
  H     -0.20407213     -0.56849853     -2.11469030
  H      1.42341728      2.50419774     -0.01184919
  O     -0.82884368     -0.71365484      0.90466416
  H     -1.39225181      0.42473675     -2.07915080
  H     -7.98276655      0.84761126     -0.99312806
  O      1.67668982     -0.39801737     -2.19115367
  H     -4.84959237      0.32002188     -1.34108071
  H     -8.20461421     -0.67131216     -0.93941872
  O     -4.64006993     -0.26810094      3.70101163
  H     -6.17756127      0.07863757     -2.10418188
  H     -2.23060349      1.83103350      5.04655970
  O     -0.69127617      1.69383595      2.21289092
  H     -4.46224866     -4.31672812     -0.17805329
  H     -1.91248524      1.75859999      3.53949994
  O     -2.39030966      2.74439428      0.29078625
  H     -4.07200878     -2.96684079     -0.80473935
  H     -3.54490160      1.32966091      0.29189097
  O      1.92629845     -0.38693569      0.52037191
  H     -2.63699165     -1.59210450     -2.13226381
  H     -3.79489985     -0.15839705      0.72559579
  O      1.66518510      2.47733881      0.93163731
  H     -4.13552715     -1.33082706     -2.37146697
  H     -3.94112150      5.80816775      1.13387433
  O     -7.89217480      0.03119384     -1.50681980
  H     -2.55866608      2.38914173     -2.77776623
  H     -4.31764306      4.43339553      1.74641159
  O     -2.63749642      1.79398933      4.18360937
  H     -1.92920557      2.45532912     -1.37344715
  H     -5.26909274      3.44239211     -1.78733815
  O     -4.18009386      0.60290329      0.27174980
  H     -1.60625326     -1.15332601      1.27834267
  H     -5.18781938      4.18957752     -0.42918682
  O     -4.04523275      4.88427581      0.92519401
  H     -0.97948661     -0.63974930     -0.04779784
  H     -5.31758982      2.75536667      2.76510029
  O     -5.79290224      3.75212226     -1.03979941
  H      2.34426208     -0.90639127     -2.64299887
  H     -3.99057145      2.95115254      3.52801460
  O     -4.69578497      3.42879324      3.07532986
  H      1.85984000     -0.47391109     -1.23745948
  H      0.11515632      2.43614746     -2.02572085
  O      1.02467183      2.35188317     -1.71194010
  H     -3.97852471      0.39366750      3.93707537
  H      1.32427784      1.48391853     -2.01045306
          69
 Energy    -248.34921056310128     
  O     -7.74814579     -1.17322972      6.51626104
  H     -7.73362154     -1.64774103      5.67763437
  H     -3.10428974      2.13351983      1.68707252
  O     -8.06958476     -1.98639980      3.73035341
  H     -6.88048831     -0.76183261      6.61786402
  H     -6.12754919      0.42724599      3.74899218
  O     -5.33563993      0.67097975     -0.08509113
  H     -9.02062197     -1.82721363      3.83556599
  H     -7.47040245      1.14230656      4.14615495
  O     -5.85881114      2.78602371      5.89625441
  H     -7.68079284     -1.10179667      3.62137249
  H     -4.79462743     -0.06279872      5.78305619
  O     -5.85227150      5.31776968     -0.32142859
  H     -5.43527405     -0.28579053     -0.15077436
  H     -4.49780237     -0.15153817      7.29764981
  O    -10.21239392      0.72374285      1.42026032
  H     -6.19721760      1.00622756      0.20567783
  H     -2.68903695      4.25353714      1.13963451
  O    -10.04870400      0.26265383      6.39910403
  H     -6.81986144      2.72492547      5.79351197
  H     -1.28667382      3.75226611      0.71410313
  O     -4.40158947     -0.22080171      4.07972615
  H     -5.58577181      1.94545750      6.27887203
  H     -9.05620422      3.76701071      2.55125788
  O     -4.38007717      3.14886102     -1.06776081
  H     -5.36869801      4.54043190     -0.65398007
  H    -10.04923429      2.58285761      2.49356104
  O    -10.58576279     -0.92962300      3.84602729
  H     -5.97823654      5.90195589     -1.06429816
  H     -5.49260759     -2.36783981      1.85469741
  O     -6.02528326     -2.05663403      0.02163063
  H     -9.32072652      1.03451368      1.18314995
  H     -6.27298443     -2.55598448      3.16916682
  O     -3.77561985      1.55327664      2.06685756
  H    -10.78780887      0.93264530      0.68683566
  H     -9.23927544     -1.10223507      0.94709198
  O     -7.05024659      0.55789220      3.50024942
  H     -9.24628208     -0.27260767      6.53905440
  H     -8.45915499     -2.04212285      1.86287841
  O     -5.17752486      0.07429402      6.66705504
  H    -10.56322775      0.20615670      7.19971649
  H     -9.09182601      1.66449838      5.67605222
  O     -2.20127964      3.49204393      0.77633989
  H     -4.61848730     -1.05733351      3.63953857
  H     -8.99762920      2.71410517      4.52400332
  O     -9.78013537      3.33480766      3.02758587
  H     -4.00908401      0.37091551      3.42391029
  H     -4.28851237      4.95477388      2.45249922
  O     -5.38398168     -2.44599119      2.81023910
  H     -3.54926529      3.23161409     -0.58309517
  H     -4.50027504      5.58860145      1.06636966
  O     -8.58996071     -1.80951538      0.93397240
  H     -4.69648586      2.25259883     -0.89670231
  H     -5.38688166      3.40156669      4.28795869
  O     -8.48699618      2.24609938      5.19998357
  H    -10.57324061     -0.28348256      3.13147193
  H     -4.77107185      2.88449825      2.95182755
  O     -3.83223165      5.43192211      1.74438762
  H    -10.55313904     -0.43635808      4.67598295
  H     -7.41377626      1.16592357      1.90567946
  O     -5.23795343      3.62547791      3.35819767
  H     -6.96691964     -1.96272890      0.24932438
  H     -7.58285120      2.53067469      1.18262572
  O     -7.66139102      1.57448717      1.05906416
  H     -5.96633481     -2.76708563     -0.61256828
  H     -6.70277247      4.05112480      2.38692389
  O     -7.40627775      4.21660347      1.73987835
  H     -4.28858590      1.20138531      1.32564853
  H     -6.99773355      4.69569339      1.00836420
          69
 Energy    -248.34918144508720     
  O     17.60896859     10.11640850    -10.16805354
  H     18.14935654     10.68925490     -9.61132164
  H     12.78153471      8.63164938     -6.49635345
  O     19.14487026     11.44434952     -8.23067151
  H     17.00278364      9.64381034     -9.57420907
  H     16.59543070      5.27434463    -11.95232770
  O     12.39820464      7.85491746     -7.97857725
  H     19.51140998     10.60847931     -7.88659418
  H     16.55424021      4.21383815    -13.07227804
  O     15.40672818     10.39223815    -11.83457374
  H     19.84325882     12.09173378     -8.18997091
  H     15.23596538      6.28409754     -9.82194147
  O     18.82627668      7.79763189    -11.02852953
  H     13.04365527      7.28400287     -8.41520152
  H     14.08566213      7.16331911    -10.38528255
  O     20.46972167      6.89452655     -9.04346005
  H     11.99294145      8.37554493     -8.68336392
  H     17.59405159      6.57806853    -13.53568354
  O     16.96404898      5.82667083    -10.26920375
  H     14.76946873     10.86758776    -11.27924577
  H     17.48436188      8.07063277    -13.91295427
  O     11.53168766      9.31828866    -10.26283129
  H     16.23419642     10.36202145    -11.33530479
  H     15.83600695      9.75899514    -13.45981892
  O     16.99284135     11.14367913     -6.35448165
  H     18.46615288      8.65805664    -10.77353527
  H     16.07122506      9.95198362    -14.97286816
  O     13.57084811     11.35623793    -10.04231860
  H     18.70331322      7.69487370    -11.98326309
  H     15.31709672      8.10237528     -8.86377383
  O     14.45646058     10.94239327     -7.39813918
  H     19.95301620      7.20570721     -9.80703592
  H     15.28631913      9.52071320     -8.19791670
  O     13.04296749      9.13890960     -5.70559804
  H     21.27004630      6.50942089     -9.39041363
  H     20.22225467      8.32994658     -7.84618915
  O     16.44968915      5.14733568    -12.90386355
  H     17.28265237      5.60824332     -9.38142948
  H     19.12194743      8.69290539     -6.82780961
  O     14.40268831      6.71337191     -9.58825593
  H     17.53295305      6.55122479    -10.56487605
  H     14.51630894      8.31206884     -4.94677847
  O     18.10664624      7.39113900    -13.62412289
  H     10.70189118      9.35915019    -10.73162768
  H     14.99787620      7.22839500     -3.97007544
  O     16.08051729      9.29723185    -14.27885904
  H     12.17133311      8.89974925    -10.86517515
  H     14.22097657      8.96922213    -11.72823145
  O     15.86568921      8.81946053     -8.52520476
  H     17.18978783     10.23814000     -6.09400220
  H     13.73859810      7.73163829    -12.53698748
  O     19.90725091      9.03947179     -7.27351784
  H     17.69781662     11.39323307     -6.96505319
  H     17.88111315      6.42645774     -7.18344333
  O     15.30783035      7.87323395     -4.60186484
  H     12.77897099     10.80700355    -10.06683151
  H     19.02547431      6.01405611     -8.12130959
  O     13.57251442      8.25209972    -11.73820888
  H     13.85990427     11.35658820     -9.11970903
  H     16.90140670      8.36619408     -7.14876185
  O     18.15887179      5.73634803     -7.79616378
  H     13.93570658     10.45576079     -6.74828309
  H     16.75674080      7.99457409     -5.64870370
  O     17.40656876      8.16228066     -6.34572294
  H     15.30432847     11.16495522     -6.98289977
  H     15.00908870      7.69213823    -14.22082113
  O     14.47040268      6.93894072    -13.94507085
  H     12.23900990      9.37525332     -5.25019004
  H     15.08873215      6.26176653    -13.64238454
          69
 Energy    -248.34915375534982     
  O     -2.38940522      3.85523614      0.27307509
  H     -2.74283663      3.44702976      1.07957668
  H     -1.81436989     -2.20565512      2.49064718
  O     -3.17342756      2.44864031      2.52040973
  H     -3.02151112      4.51973250      0.00787964
  H      1.42128864      1.52772739      0.57071984
  O     -0.60972027     -0.21779113      4.90509926
  H     -2.88947693      2.51356237      3.43887646
  H      1.37858222      0.82251234      1.96950995
  O     -1.13337083     -3.21633973      1.16993706
  H     -2.58709154      1.78384459      2.11983995
  H     -4.26199478     -2.63543802      1.06322104
  O     -1.14074777     -0.24718969     -2.27440451
  H     -1.08109234      0.60383027      5.08723883
  H     -2.90345217     -3.12055794      0.51104554
  O     -3.31563152     -0.26001287     -0.63460853
  H     -1.19369981     -0.73814425      4.33219134
  H      1.90791589     -2.17522013      4.54870273
  O     -5.11186968      0.67109614      1.42962352
  H     -0.56544972     -2.66098453      0.61704831
  H      0.48970209     -1.81457129      5.03742129
  O     -0.63615871      2.52155455     -1.60516936
  H     -0.55459795     -3.76618966      1.71353823
  H      0.75090871     -3.81003736      3.64057406
  O      0.55696613     -1.55606080     -0.33698779
  H     -1.32663838     -0.48291209     -3.18030057
  H      0.77393242     -5.31376477      3.27470417
  O     -1.62629503      0.53933142      1.39706990
  H     -1.98721452     -0.28793159     -1.79688467
  H      1.93767979     -3.47861923      1.81712310
  O     -4.93150107     -1.74006369      2.67703750
  H     -2.71230566      0.04371859      0.06230098
  H      1.94989752     -2.44742369      0.67164792
  O     -2.18122884     -1.56417029      3.11549906
  H     -3.53561683     -1.18298801     -0.43182618
  H     -2.11513315      2.79712467      5.88641441
  O      1.10831167      0.74754884      1.04442569
  H     -4.67960968      0.49025603      0.58544546
  H     -1.08713334      2.75989798      4.73025761
  O     -3.78489640     -2.82394215      0.24608040
  H     -4.59594462      1.36797964      1.85564290
  H      1.01152775      2.58390503      3.96054292
  O      1.06644649     -2.55854483      4.82796841
  H     -0.84897907      1.61089129     -1.83832231
  H      0.32983569      3.74820426      3.19394873
  O      0.67887087     -4.44135542      2.90234233
  H     -1.33798220      2.85395669     -1.03196842
  H      3.12141790     -1.86682961      2.73907716
  O      2.48276922     -2.80405436      1.39223734
  H      0.82073603     -0.76610919      0.16093292
  H      4.30821039     -1.58217156      3.69013483
  O     -1.90401217      2.34817996      5.07207213
  H      0.06031626     -1.22550488     -1.09383605
  H      0.92432136      0.44128899      4.14784377
  O      0.38014189      3.30682517      4.05456958
  H     -0.68019326      0.67619335      1.26638091
  H      2.39145207      0.13360919      3.73659214
  O      3.37580056     -1.42492961      3.56862572
  H     -1.75134410     -0.19091576      2.01847154
  H     -0.69027938      4.31521182      1.09382792
  O      1.71073638      0.81803513      3.72530896
  H     -5.08104933     -0.86812918      2.26995865
  H      0.80637226      4.04428837      0.88324091
  O      0.17115996      4.39479351      1.51888803
  H     -5.72920010     -1.96610756      3.14713513
  H      0.92043252      2.87970551     -0.95734916
  O      1.73654301      3.02457711     -0.44272945
  H     -3.14315150     -1.64457094      3.08239551
  H      2.40343426      3.32432531     -1.05356104
          69
 Energy    -248.34905902537707     
  O     11.91254397     11.12375613    -15.09576679
  H     12.68465133     11.61538145    -15.39568803
  H     16.04280055      9.78324043    -17.06067132
  O     15.00635928      6.57523020    -12.69486546
  H     11.97284714     10.25255364    -15.51434671
  H     13.81333801      8.69545877    -14.94043761
  O     17.76121509     10.47831083    -12.58289947
  H     15.93815273      6.79341742    -12.56017405
  H     14.62604369      7.98553323    -13.81064874
  O     16.85596715      8.48871283    -15.89200292
  H     14.52097505      6.96456063    -11.95435581
  H     11.42859361     10.89231815    -13.45335938
  O     11.36321730      6.37066792    -14.70163150
  H     18.42395878     10.03843627    -13.13031998
  H     10.36021132     11.16118165    -12.36767006
  O     15.59220749     10.70877768     -9.17927332
  H     18.10174869     10.59482851    -11.68628217
  H     17.78917626      7.58154296    -10.42767789
  O     13.67972418      7.99519545    -10.71496444
  H     16.11059823      8.65660726    -15.29851732
  H     18.09366963      8.78675685     -9.52678409
  O     15.28945969     11.22320926    -13.45482911
  H     16.59476941      7.70051802    -16.39373590
  H     12.11181957      7.74661772    -11.75235786
  O     15.60187744      6.42569754    -17.14443030
  H     10.57952974      5.82792233    -14.70404498
  H     11.25285100      8.78896817    -12.48480895
  O     15.29466169      7.95742892     -8.41197438
  H     11.36628476      6.85388999    -13.85557807
  H     18.35914988      8.66336378    -15.01023954
  O     14.05708920      5.38935656    -15.05911314
  H     14.88794953     10.86099509     -9.82299735
  H     19.90181894      8.60424442    -14.93392519
  O     15.39669442     10.27392693    -17.58487460
  H     15.40919014      9.84655419     -8.78608516
  H     17.31695103      8.58125509    -12.24291042
  O     14.56514223      8.78870884    -14.34239012
  H     14.13861823      7.88335399     -9.87382144
  H     18.21158783      7.62884829    -13.00786593
  O     11.17835130     10.69967990    -12.53163454
  H     13.71376087      8.94018333    -10.92134194
  H     17.28184973     10.78155594     -9.59240590
  O     17.78664335      7.87165110     -9.50647457
  H     14.96626248     10.35827011    -13.76151829
  H     18.70586090     11.29850056     -9.27337691
  O     11.42236950      7.84125494    -12.42105063
  H     16.20088751     11.08777764    -13.16032878
  H     13.60905346      8.33193652    -19.39791310
  O     19.12010377      8.74080864    -14.40644617
  H     14.96764911      6.90375047    -17.68997361
  H     14.35104116      9.02740886    -18.23148034
  O     17.54942971      7.64494663    -12.30803973
  H     15.08233141      5.98626823    -16.45381976
  H     14.24854622     11.02593815    -11.98160096
  O     18.22378814     10.69263695     -9.82965183
  H     15.26390644      7.50485657     -7.57351364
  H     12.77217377     10.82265415    -11.57636327
  O     13.78248617      8.27031100    -18.46263293
  H     16.19439384      7.83745128     -8.76448275
  H     14.78834614     12.04124999    -14.93791360
  O     13.67739127     10.76464019    -11.24552101
  H     13.12056463      5.60419835    -14.98603515
  H     14.62446181     13.25156373    -15.88643290
  O     14.43435094     12.32064015    -15.79982673
  H     14.43605017      5.62647051    -14.20204920
  H     11.95336794      7.77209476    -15.73473249
  O     12.36884350      8.57404781    -16.07695247
  H     15.07637787     10.99345657    -17.02829162
  H     12.75678437      8.37979387    -16.93986755
          69
 Energy    -248.34905137282198     
  O     -4.15393205      1.32185612      4.33205645
  H     -4.34086685      0.46776961      4.74909916
  H     -4.50993344     -2.01439900      2.11831495
  O      0.55393152      4.87869926      1.62912745
  H     -4.80805107      1.96406268      4.63080025
  H     -2.69815403      3.58364994      0.69913612
  O     -0.73164622      0.06618363      1.71818429
  H      0.76944812      4.13844498      1.03379722
  H     -3.54585989      2.29963178      0.54415541
  O     -4.93015533      0.83100467     -2.22387470
  H      1.10087312      5.61282394      1.36279767
  H     -6.66149304      2.34844619      0.29816278
  O     -2.80524708     -0.77907432     -1.76121055
  H      0.20285845      0.15709908      1.94180763
  H     -6.19004387      3.64664970     -0.33943539
  O     -4.23179767      1.00999344      1.55973290
  H     -0.84282526      0.49163488      0.85511910
  H      1.53353789      2.03461574      0.74316364
  O     -7.65153998      2.00251074      2.88661861
  H     -5.57979429      0.61940331     -1.53720975
  H      0.45404017      2.21000266     -0.34256776
  O     -7.63668459     -0.66861265      2.26622694
  H     -4.94112478      1.79151911     -2.29499680
  H     -6.23842346      3.96470353      5.49031186
  O     -1.61411770      2.01636740      3.58532236
  H     -2.71330884     -1.39175954     -2.48624054
  H     -5.65766466      3.84242393      4.05770161
  O     -4.91858227      3.70191276     -1.84227521
  H     -3.56742219     -0.20982104     -1.97193782
  H     -2.00961793      3.57140189      2.73170648
  O     -6.46004201      0.52599653      0.05121850
  H     -3.79178167      0.16161108      1.41403360
  H     -1.27532668      4.72467456      2.01577968
  O     -5.19562396     -2.15345227      2.78196691
  H     -4.28723440      1.14902353      2.51378498
  H     -5.42977139      4.12740715      1.81979183
  O     -3.08270262      2.98861249      0.04224136
  H     -7.45640864      2.57504032      2.13622868
  H     -4.06309832      4.56744382      2.43418772
  O     -6.57553313      3.29708019      0.47219392
  H     -7.20682772      2.40617651      3.64188386
  H     -4.41624132     -1.88048320      5.87981587
  O      1.15184474      2.67840053      0.13361017
  H     -7.65313716      0.25738563      2.56709333
  H     -4.84289389     -1.61292605      4.42467505
  O     -6.03279765      3.33704349      4.80364110
  H     -8.45913231     -1.06019426      2.54862891
  H      0.93812152      3.72571486      3.16662158
  O     -2.15383102      4.37288231      2.20525067
  H     -1.38528639      1.31741709      2.95848652
  H      0.09743287      2.66232031      3.89349414
  O     -5.00973036      4.50054045      2.60486762
  H     -2.45933466      1.77122926      3.98622738
  H      2.74067377      0.51841789      2.56025134
  O     -4.65232655     -1.18228257      5.27582127
  H     -4.63096855      4.43666786     -2.37793862
  H      1.67903442      1.60446168      2.85995105
  O      1.00765352      2.95991807      3.74897936
  H     -4.20219621      3.51866236     -1.20883153
  H     -2.96157152     -1.32873514      0.05821996
  O      1.91538501      0.88125639      2.25123264
  H     -5.66986582      0.70096553      0.58958332
  H     -2.15707809     -1.10281913      1.36649449
  O     -3.00875550     -1.40637815      1.02016082
  H     -7.03317920     -0.00417462      0.61575795
  H     -1.77601343      1.92583943     -0.58257187
  O     -1.10470367      1.25926498     -0.79185175
  H     -5.98013151     -1.66446176      2.50378505
  H     -1.56609210      0.54360922     -1.24515170
          69
 Energy    -248.34864299480824     
  O     -0.05866122      3.17819823      2.59919978
  H      0.61577953      2.49137573      2.65887821
  H     -1.12495726      7.97302521      1.64122166
  O     -2.92516816      5.20001636      0.25608844
  H     -0.82805719      2.82332451      2.13182224
  H      2.40608077      2.06068182     -0.45669788
  O      4.01829391      7.15039803      0.34397995
  H     -2.89893406      5.71699912      1.07104985
  H      1.10574378      1.25351378     -0.50705172
  O      1.91725905      7.31391341      2.04359433
  H     -2.16907446      5.51357355     -0.26425751
  H     -0.83577745      4.70273615     -2.31658991
  O     -0.69951257      5.95200690     -1.14266568
  H      4.45362195      6.29693904      0.44233318
  H     -1.91666183      3.81374657     -2.93058857
  O      2.82440920      3.80341144     -0.93196328
  H      3.57799485      7.14349465     -0.51933382
  H     -0.17786538      9.43908393     -1.77993319
  O      1.00328988      5.00764100      0.75555825
  H      2.14237512      6.96891074      2.91536194
  H     -0.11491341      8.65479468     -0.44633383
  O     -2.37067454      6.76659647      2.53411308
  H      2.72463101      7.35679914      1.50692345
  H     -3.65782609      2.02790685     -1.51087052
  O     -0.56066560      1.73418697     -1.16251730
  H     -0.07160878      5.64666485     -0.46926100
  H     -2.49714781      1.04380290     -1.33584022
  O     -0.47880471      5.50676432      4.01158205
  H     -0.51077057      6.88017810     -1.32308676
  H      3.10626996      3.04083175      2.94559288
  O     -2.20841122      2.58756551      1.01173876
  H      2.19481010      4.23802430     -0.33418975
  H      4.05688936      4.08690463      2.31737595
  O     -0.42901689      8.49840853      1.23336401
  H      2.55611062      4.03134808     -1.82862068
  H     -3.60292941      4.36982831     -1.26792433
  O      1.99123371      1.25588939     -0.11926137
  H      1.32807320      5.78870422      1.22378266
  H     -4.56166871      4.25203299     -2.46767904
  O     -0.96365802      3.94855733     -2.91820560
  H      0.65590419      4.38923889      1.41020849
  H      2.11462808      1.30417587      1.59814463
  O      0.06131760      8.59685368     -1.40423183
  H     -2.97429359      7.19098963      3.13911464
  H      2.30925201      0.58926705      2.95780948
  O     -3.41422934      1.19923043     -1.07830249
  H     -1.69526911      6.32980610      3.08397290
  H      1.99619782      4.51062425     -4.30357596
  O      3.51715906      3.90036074      3.09516371
  H     -0.59372617      2.43773941     -1.82220965
  H      0.78514891      4.33719175     -3.36674220
  O     -3.76273009      3.88629068     -2.09397956
  H     -1.00824806      2.08472505     -0.38016430
  H      2.83986103      6.11460587      5.23030815
  O      2.13586143      1.43934157      2.56298722
  H      0.41589409      5.75039724      4.27262479
  H      2.76508427      5.18376028      3.99790717
  O      1.70991661      4.62646774     -3.40000844
  H     -0.39569052      4.62000107      3.63130184
  H      5.77312745      4.06788997      0.36756007
  O      2.33621949      5.93856677      4.44037078
  H     -2.48974580      3.49370916      0.82466762
  H      4.26844155      4.16209555      0.02315763
  O      4.94377321      4.42991368      0.66961931
  H     -2.78740490      2.00587797      0.50122298
  H      2.17131644      6.38445867     -2.49629998
  O      2.48317072      7.14701513     -1.99944279
  H      0.40782642      8.17007970      1.59724372
  H      1.70925309      7.70210530     -1.84263511
          69
 Energy    -248.34859856856804     
  O     16.78021952     11.56338448    -13.96783579
  H     17.31069121     12.27931902    -13.62778109
  H     13.37559044      3.95431695    -10.39342466
  O     17.31964089      4.75294696    -14.43171128
  H     17.17975950     10.73998220    -13.63610987
  H     16.22741111      4.93295468    -12.91027621
  O     12.16228124      7.32904544    -14.24111272
  H     17.99046306      4.07845000    -14.51344679
  H     14.70229656      5.08675611    -12.69703621
  O     10.93305352      5.98825129    -10.08238806
  H     17.74348572      5.59689022    -14.65149656
  H     11.46305004      9.14379896    -11.69974817
  O     14.76010319      4.68454249    -15.82127521
  H     11.93992669      7.63178466    -15.13130577
  H     11.48039988      7.90519064    -12.64625395
  O     16.02878368     10.87950666    -16.64136968
  H     13.04790485      7.68697100    -14.07289643
  H     14.36925784      9.39816861    -13.80501178
  O     18.37189409      7.23239489    -15.15764805
  H     11.57979719      6.15260095     -9.38623492
  H     15.11947861      8.22499850    -13.10587804
  O     12.42321372     10.70985159    -11.42120684
  H     10.92396460      6.78161147    -10.63742102
  H     18.14084555      8.54994140    -13.70203706
  O     13.23884981      6.30646373     -8.37073831
  H     14.13002952      4.62368971    -15.08977668
  H     17.30243207      8.76340294    -12.42806247
  O     16.04661837      8.11336869    -16.21714823
  H     15.63597716      4.65464296    -15.42184820
  H     12.55452347      9.25361367    -16.72227428
  O     11.73174419      3.76313276    -11.38374846
  H     16.13066007      9.91792355    -16.61277776
  H     12.86492288      7.80306356    -17.16547151
  O     14.16366602      4.28464629     -9.94367269
  H     16.38483780     11.20288601    -15.80420768
  H     14.27288664     11.02578773    -16.65283412
  O     15.55962136      5.14590456    -12.24873763
  H     17.57219754      7.56148909    -15.60665499
  H     12.94820734     11.72131571    -17.05050594
  O     11.31651965      8.18799623    -11.73660313
  H     19.11348723      7.45863201    -15.71401540
  H     12.67461261      5.66951300    -13.80491241
  O     14.62545674      8.47059230    -13.89807058
  H     13.03284246     10.25038948    -10.83248890
  H     12.58232548      4.40797814    -12.89055713
  O     17.85401065      9.22372894    -13.07759246
  H     12.94138181     10.96560182    -12.19594527
  H     14.20244973      6.16728862    -18.54932530
  O     12.18000837      8.36683085    -16.78537380
  H     13.63213019      5.57092120     -8.87384698
  H     14.39124869      5.85460825    -17.04582625
  O     13.31288957     11.03835783    -16.49261879
  H     13.37390100      6.11255616     -7.44740000
  H     14.91993991     11.42850658    -13.77605358
  O     13.12068604      4.84489390    -13.56166381
  H     15.53229449      8.22904883    -15.40206445
  H     13.64086169     11.22167381    -14.64362837
  O     14.26916362      6.57563654    -17.69036553
  H     15.49585298      7.60979017    -16.82916924
  H     15.91615188      6.84406841    -11.72302748
  O     13.99012494     11.16536187    -13.74415858
  H     11.36832496      4.54958091    -10.93656762
  H     15.26010657      8.06433038    -11.01502132
  O     15.99745781      7.79791695    -11.58384757
  H     11.08151853      3.07175279    -11.29665980
  H     13.60098900      7.77405675     -9.45688470
  O     13.70511215      8.38027142    -10.20125899
  H     14.78615446      4.51684342    -10.64456822
  H     12.94096238      8.22250886    -10.77353837
          69
 Energy    -248.34859664289004     
  O     14.22809369      6.25386733    -13.72029835
  H     13.60535757      6.10239825    -14.44283367
  H     16.23765530     11.57296412    -15.36965180
  O     18.44649253      8.12727798    -12.51388294
  H     13.74804833      6.60087411    -12.95583072
  H     14.91026260      7.87910668    -14.15548837
  O     18.80892552      9.91289788    -16.63863007
  H     18.63245619      8.00750714    -11.57398041
  H     16.01938443      8.49670000    -15.02993028
  O     11.32547395      8.58685969    -15.66061159
  H     17.83795954      7.41850808    -12.76208152
  H     13.57546100     11.53647112    -13.75358404
  O     16.09284637      8.77235178     -9.37667813
  H     19.28815289     10.38908870    -17.31087251
  H     12.96671362     12.53724145    -12.73998015
  O     13.27916169      7.60835771    -11.47984965
  H     18.25852399     10.56704732    -16.17014296
  H     17.58857740      6.07875435    -10.14259860
  O     14.23476705      7.60988835    -17.54988265
  H     11.63151067      7.67473302    -15.71249656
  H     16.94881505      5.44686111    -11.39489738
  O     14.57417984      6.32775553     -9.36390710
  H     11.31492284      8.82203443    -14.72121047
  H     11.97932968     10.10688238    -12.88233542
  O     16.85424891      7.91666860    -16.56713719
  H     15.75779934      9.22674175    -10.16024498
  H     11.94636300      8.64331656    -12.39632904
  O     12.65027377      6.05714276    -16.00096582
  H     15.50905694      8.01618173     -9.23763301
  H     19.53209844      8.06420820    -14.01532588
  O     18.41628296      5.76017949    -15.61537396
  H     13.58379716      7.10192151    -10.71550545
  H     19.64632550      8.65752136    -15.44192699
  O     17.19679928     11.57782537    -15.28313402
  H     13.86396613      8.37592397    -11.53610073
  H     15.98575064      5.89105562    -13.42297841
  O     15.40887900      8.69210012    -14.30794592
  H     15.16065739      7.72756760    -17.30001976
  H     17.40260956      5.65011729    -14.02691352
  O     13.20960947     11.62249502    -12.85597241
  H     13.84194875      8.49013974    -17.58990001
  H     17.72251442      8.15727789     -9.55775625
  O     16.91001419      5.45517400    -10.42867455
  H     15.37962224      5.93558304     -9.74740250
  H     19.17103141      7.94485223     -9.05299298
  O     11.51240005      9.27005555    -12.98779050
  H     14.31347149      5.76802567     -8.63770188
  H     12.19309242      9.58788524    -16.74945789
  O     19.89658827      7.90131464    -14.89705703
  H     17.51992744      8.60137220    -16.71576208
  H     12.23533671     10.44634409    -18.03885977
  O     16.92701141      5.82923221    -13.20720115
  H     17.32826994      7.10851660    -16.33391910
  H     14.42161156     10.52099329    -12.01629867
  O     18.56404899      7.70410151     -9.74723295
  H     12.29053383      5.33111291    -16.50326197
  H     15.34779564      9.43518349    -12.63815374
  O     12.78269035     10.08761346    -17.34604922
  H     13.23572429      6.55477743    -16.60159265
  H     16.82604449     10.76649528    -12.15263160
  O     15.05513300      9.82405901    -11.79816675
  H     18.91457969      5.07236965    -16.04785785
  H     17.99170276      9.91646361    -12.65068534
  O     17.64344754     10.81959725    -12.65599139
  H     19.04927012      6.46176605    -15.37313418
  H     13.82956569     10.85847814    -16.04703923
  O     14.36505478     11.05575439    -15.26832570
  H     17.38794886     11.40137975    -14.34898470
  H     14.69848065     10.20205926    -14.94963723
          69
 Energy    -248.34843781956988     
  O     10.79553995     10.55792100     -9.63583095
  H     11.49852922     10.84262009     -9.03867300
  H     14.02937560     12.69422525    -14.41754756
  O     13.15187826      9.75990520    -17.38293277
  H     10.52947536     11.34584987    -10.12362432
  H     17.47850461     10.09063840    -11.31819055
  O     11.07326624      8.25647504    -11.03772519
  H     13.49186494      9.66877874    -18.26916002
  H     17.16170454      8.99272754    -12.36656993
  O     14.07142873      8.90249790    -14.85539852
  H     12.99243550     10.70935106    -17.23980708
  H     15.16269720      7.90333341    -12.02302199
  O     12.46871646     12.37017813    -16.89009964
  H     10.94017412      9.05859529    -10.50136350
  H     15.25062054      8.09355110    -13.54896803
  O     11.60492284      9.29322016    -13.59359976
  H     10.46536343      7.59935779    -10.70974596
  H     13.49371129     13.94228271    -11.00761125
  O     14.97336294      9.64319804     -8.33770186
  H     13.84158005      9.06450755    -15.77896082
  H     12.08325847     13.32321933    -10.71130437
  O     14.13110344     11.00451967    -11.67166543
  H     13.24462484      8.96637268    -14.35477796
  H     12.97100586      8.18573575    -10.75812335
  O     12.95378840     11.72268098     -8.17830053
  H     11.51678713     12.32179716    -16.73771201
  H     13.95284618      9.33186084    -11.06194061
  O     16.78331661     13.38816550    -11.79600902
  H     12.82754532     12.87627976    -16.15107221
  H     17.91775273     10.94895436    -13.26356119
  O     10.33405900     12.93709347    -11.18057083
  H     11.47588311     10.24516560    -13.49449114
  H     18.66088371     11.73906320    -14.37118628
  O     13.37267539     13.41019858    -14.37954644
  H     11.39787583      8.88354123    -12.74479225
  H     11.86479839     12.56614352    -13.88002706
  O     17.79262081      9.69209662    -12.13922405
  H     14.27534879     10.29539360     -8.20367656
  H     10.50922233     12.05385052    -14.44872077
  O     15.77903294      7.89519896    -12.76720638
  H     14.64690632      9.06045845     -9.03678327
  H     16.17923604     10.66777400     -9.33517231
  O     13.01712383     13.30339920    -10.46258376
  H     14.48007245     11.18809203    -12.55323619
  H     15.69812221     11.12019185    -10.70676003
  O     13.90032959      8.43124462    -10.70280690
  H     13.69685159     11.79796151    -11.33885367
  H     16.08816948     11.44982063    -14.22298643
  O     17.85534697     11.71734327    -13.86377777
  H     13.09115406     12.34218339     -8.91288827
  H     14.88333003     10.47612619    -14.51508272
  O     11.04995718     12.09600935    -13.64930812
  H     12.95189328     12.24481563     -7.37892500
  H      8.91698393     11.97684914    -16.54399753
  O     16.46071098     11.16888464    -10.11157566
  H     17.22865362     12.94926002    -12.53065749
  H      9.95084611     10.87598566    -16.19845294
  O     15.12654141     11.37630654    -14.25957426
  H     16.78809556     12.74838826    -11.07079921
  H     14.79662866     15.77566263    -12.17549867
  O      9.75211850     11.82653735    -16.11066644
  H      9.54092365     13.46482255    -11.21950788
  H     15.37865006     14.34685085    -12.07445534
  O     14.55663995     14.85361388    -12.21351821
  H     10.51513260     12.62653531    -12.08511724
  H     11.40761194      9.27497614    -16.71773278
  O     10.58576054      9.25940047    -16.21140067
  H     13.71224560     14.03942433    -13.73444478
  H     10.84822058      9.10094004    -15.29349862
          69
 Energy    -248.34838556908232     
  O     16.49811911     10.01421373    -16.77248796
  H     15.54848400      9.86824286    -16.64208851
  H     17.48674338      5.06221772    -12.15542810
  O     15.99835313      4.57025436    -13.31850911
  H     16.75458461     10.85403261    -16.38013431
  H     19.88995508      9.97893265    -14.70213598
  O     14.94369120     12.70894900    -11.04466967
  H     15.28828584      3.97163617    -13.10186971
  H     19.89188356      9.77304421    -16.22530024
  O     19.52596598      8.82738653    -13.28264249
  H     15.65115397      5.47331114    -13.20983118
  H     17.42233380      7.26180300    -15.19639895
  O     15.32656358      6.56039647    -17.39454950
  H     15.36068339     12.32229603    -11.83358833
  H     17.08150417      8.75797207    -15.49551263
  O     14.84482632      9.03456843     -8.88674923
  H     14.73526596     13.61464423    -11.25817960
  H     17.13075490      8.47964840    -10.85374526
  O     15.43641373      7.21883623    -13.01132640
  H     18.75297988      8.58473816    -13.81830123
  H     15.99564729      7.98413327     -9.92746341
  O     16.07785088     11.34247868    -13.14755214
  H     19.98903312      8.00343968    -13.09295175
  H     13.84438679      9.17731509    -15.36536954
  O     20.46667907      6.20937923    -12.88083032
  H     14.80710972      6.19797183    -18.10824011
  H     14.26692383      8.16006104    -16.47105726
  O     19.96677486      6.06019655    -15.69744978
  H     16.06597600      7.04022938    -17.81205225
  H     17.16036308     10.82779010     -9.86834867
  O     17.24247526      5.45294830    -15.68871313
  H     15.43961771      9.80646023     -8.90622796
  H     15.99895733     11.82501049     -9.71919675
  O     18.15569735      5.52516695    -11.63863706
  H     14.55943078      8.93029514     -7.98289871
  H     17.25894466     10.47440391    -12.02947090
  O     19.79361139     10.44767523    -15.54226437
  H     16.08934213      7.57381190    -13.63527808
  H     18.58715538      9.67817504    -11.98418505
  O     17.31269539      8.13449299    -14.79593621
  H     15.78220420      7.37838653    -12.12100210
  H     13.70994753      9.81258711    -10.28013207
  O     16.64080877      7.68904739    -10.58138984
  H     15.39260692     10.71565673    -13.41879495
  H     13.71336551     11.21019657    -10.91556571
  O     13.99511885      9.07078559    -16.31502332
  H     16.58355816     11.62018218    -13.92097743
  H     20.88999590      8.12757540    -17.89119092
  O     16.50699897     11.15977928     -9.23728987
  H     21.20216090      5.82475334    -12.41156479
  H     20.11681617      7.44878525    -16.74011233
  O     17.87289108     10.02444736    -11.43245676
  H     19.65926652      5.92673488    -12.41541535
  H     14.38278461      8.63875568    -13.33700436
  O     13.30710825     10.33727956    -10.98198689
  H     20.19528425      6.05807435    -14.76060635
  H     13.58797910      9.79482681    -12.69147777
  O     20.11979552      8.21927773    -17.33547929
  H     19.07870738      5.68293819    -15.76203748
  H     17.91772145     12.98727378    -15.60778221
  O     13.98487241      9.50071026    -13.52422718
  H     16.84063014      5.01108804    -14.93048186
  H     18.46714511     11.55378313    -15.41164651
  O     17.66953079     12.10930686    -15.33146210
  H     16.52853030      5.69388524    -16.29506862
  H     17.11059231      8.81925755    -17.94411179
  O     17.43582804      7.99362658    -18.33616403
  H     17.68752646      6.21324059    -11.14756994
  H     18.37313576      7.97178733    -18.11430450
          69
 Energy    -248.34826240801846     
  O     16.25286918     12.19937060    -14.37645698
  H     16.81965697     11.69900876    -13.76874397
  H     16.52746482     11.79085764    -10.24269779
  O     15.88983425      6.52446989    -12.19711546
  H     15.47649742     12.43958405    -13.86145075
  H     16.13286967      9.66426818    -12.22194400
  O     11.61736427      8.31776445    -12.35185630
  H     15.98481862      6.39971550    -13.14965388
  H     14.64582775      9.44253677    -12.61403505
  O     12.49833390      7.02076924    -16.43603722
  H     15.73610741      7.47569942    -12.07768607
  H     16.49094601     11.17734042    -15.76303957
  O     15.91708211      6.59573698    -14.95268636
  H     12.18379133      7.60041012    -12.02913582
  H     16.98429026     10.96103453    -17.21396276
  O     13.31354242     10.10530564    -13.64234583
  H     11.11922848      7.95517622    -13.09545546
  H     12.44176385      5.16342780    -12.80786322
  O     17.02721368      8.83360559     -8.78677068
  H     12.98445319      6.19415073    -16.33206583
  H     11.44001287      5.46044949    -13.93575820
  O     13.96273672      4.67133920    -15.63296459
  H     13.15695291      7.72358756    -16.34620452
  H     17.48682627      7.79836242    -14.79960178
  O     14.36008470      9.56226697     -9.44787412
  H     15.37282833      5.85058231    -15.23619961
  H     17.67304861      9.19985081    -15.39888254
  O     16.71217188      6.12388985     -9.60937115
  H     15.42617663      7.38999444    -15.21065810
  H     10.87307669      9.68429535     -9.48169151
  O     13.98042504      6.72699214     -8.88966452
  H     12.62678507      9.60422745    -13.18150813
  H     11.53397835      9.29166480    -10.81243030
  O     15.59422655     12.02906840    -10.27240193
  H     13.40659959     10.97864084    -13.23960678
  H     13.29310248      6.28709702    -10.51958210
  O     15.33368710      9.16975736    -11.99457197
  H     16.09820233      9.09683284     -8.79171208
  H     14.10408288      6.23834654    -11.82473619
  O     16.65801025     10.50171898    -16.44513936
  H     17.03629847      7.89684931     -9.01840928
  H     11.18905268      7.09606654    -15.29247783
  O     12.10478958      4.82361764    -13.64812585
  H     13.96790563      3.79795344    -16.01539757
  H      9.66711477      7.02579281    -15.02608787
  O     18.02096805      8.59765742    -14.72807937
  H     13.32567333      4.65032201    -14.89657985
  H     19.00028734     11.20640613     -9.53149671
  O     11.67414916      9.78700545     -9.99050474
  H     14.70820228      9.38798342    -10.33832561
  H     17.92106310     10.10068344     -9.58111876
  O     13.20199411      6.20915332    -11.47913610
  H     13.40900372      9.71694795     -9.54277828
  H     15.18793497      9.42958813    -16.14691233
  O     10.51471907      7.04962668    -14.59042244
  H     17.23135576      5.33303700     -9.48786649
  H     14.05304773      9.35340721    -15.08792544
  O     18.29810811     10.85297419    -10.07084550
  H     16.49961324      6.17599427    -10.55659914
  H     13.59554619     13.36516060    -12.32950259
  O     14.48961742      8.86195156    -15.79876631
  H     14.02907096      7.68948045     -8.92795099
  H     14.62972477     12.39791922    -11.71806234
  O     14.07177339     12.55615410    -12.49899855
  H     14.89335006      6.42199743     -8.96748869
  H     18.11145333     10.51085093    -11.90746402
  O     17.64366866     10.46863926    -12.74909221
  H     15.12889246     11.31558292     -9.81833209
  H     17.97596447      9.74807415    -13.30528082
          69
 Energy    -248.34804384156524     
  O     15.25812677      9.65038229    -16.27170380
  H     14.55446734      9.48432951    -15.62385387
  H     18.83942375      9.77668735    -17.09266978
  O     15.86987779      5.81722111    -13.58419471
  H     15.63028948     10.52438240    -16.11476017
  H     17.53452375      7.46635760    -15.42029096
  O     15.97906745     13.07423476    -10.62300006
  H     14.93677286      5.82753882    -13.82371272
  H     16.43980010      8.57581661    -15.32921718
  O     19.50188251      9.02715275    -14.06198053
  H     16.23294439      6.65567287    -13.91134977
  H     14.00377458      8.99412608    -13.51033459
  O     14.47696784      5.61273493    -17.37438562
  H     16.11720128     12.67991221    -11.50074156
  H     13.37591611      7.93359272    -14.45253390
  O     16.83883673      9.55591133     -8.39070113
  H     15.68434177     13.96974762    -10.76717924
  H     18.00006565      9.10861466    -11.22316305
  O     16.43216210     11.67313365    -12.95383375
  H     18.57910984      8.76510836    -14.21301985
  H     17.23521193      8.60932648     -9.97741768
  O     20.27289360      6.31105910    -13.86839655
  H     19.98546804      8.19898842    -13.96548617
  H     12.53414534      5.53629018    -14.78406194
  O     18.79004752      6.32375709    -16.27099438
  H     14.09224913      5.20668447    -18.14679803
  H     13.68609529      5.90526304    -15.74505638
  O     16.74969798      4.55174084    -15.96160099
  H     14.97147109      6.39146300    -17.68932323
  H     18.60559880     11.37689915    -10.20170755
  O     18.24629231      5.99347897    -12.11538638
  H     17.36717716     10.33221594     -8.65111704
  H     17.48426167     12.30482613     -9.70497680
  O     18.91309479     10.46655565    -16.42236000
  H     17.04418281      9.37495664     -7.47767244
  H     18.05097270     11.06179255    -12.30559664
  O     17.03780524      8.02627350    -14.80775753
  H     15.91982632     10.86764812    -12.78928665
  H     19.24556476     10.13870507    -12.63981580
  O     13.52882346      8.87918972    -14.34620161
  H     16.50687874     11.80329924    -13.90643211
  H     15.22855901     10.27790403     -9.17010939
  O     17.46844419      8.37525446    -10.88438265
  H     21.02981027      5.80746834    -13.58287154
  H     14.93169667     11.58325612     -9.92699324
  O     13.33654307      6.04881791    -14.85122720
  H     19.56794849      6.15487941    -13.21239749
  H     19.30252940      8.04937241    -18.92891310
  O     18.17326506     11.70108590     -9.39944220
  H     19.37450866      6.24327378    -15.50710495
  H     18.82188243      7.50102516    -17.56515736
  O     18.82170487     10.62277391    -11.91847927
  H     18.15037693      5.59536013    -16.23877294
  H     15.85800743      8.85683192    -11.80536537
  O     14.57743247     10.70488414     -9.74178121
  H     16.48430997      4.81095223    -15.06853954
  H     14.74759412      9.80351828    -11.30027644
  O     18.70120327      8.22173097    -18.20848710
  H     16.00120643      4.78410170    -16.52350306
  H     16.77672940     12.78334755    -16.21749300
  O     15.09873621      9.37624400    -12.09640130
  H     18.03360094      6.78274822    -11.59790306
  H     17.56887895     11.47251241    -15.99345458
  O     16.77376955     11.96758006    -15.72372112
  H     17.40939157      5.72240003    -12.51407514
  H     15.56760797      8.50541663    -17.60293481
  O     15.85764249      7.77992697    -18.17697363
  H     19.29393576     10.04158763    -15.64251613
  H     16.79762190      7.92495929    -18.32651007
          69
 Energy    -248.34797735724669     
  O     17.31652378     10.71726181    -17.24022553
  H     16.44542331     11.09967768    -17.06214664
  H     20.63642308     10.72197071    -16.37422236
  O     15.72683776      5.78366130    -14.14070377
  H     17.44353650      9.98880993    -16.61383208
  H     18.57285593      8.50585533    -15.12581888
  O     20.26805195      8.45458774    -14.38145623
  H     15.40429895      6.68572950    -14.03990426
  H     17.49203231      7.74278574    -15.94927805
  O     15.43201964      7.78400225    -18.19663015
  H     16.37634332      5.66042614    -13.43645305
  H     14.96097995     11.74452426    -15.54164687
  O     16.42112140     10.63058483    -10.04854574
  H     20.08724044      9.00015914    -13.60260581
  H     14.32875791     10.72368847    -16.50636776
  O     15.36163438      8.70635590    -14.09676231
  H     20.72367905      8.99024328    -15.04207958
  H     16.29686493      8.51325679    -12.46494408
  O     18.15837938     12.10761379    -13.51935914
  H     15.88436196      7.07401092    -17.71658337
  H     17.23811225      7.47056492    -11.80958764
  O     19.69734633      5.77791145    -14.09868785
  H     16.11795804      8.21359529    -18.71804042
  H     12.86399659      8.60834612    -16.57491237
  O     19.58126189      5.32692898    -16.91782464
  H     16.57975513      9.79601054    -10.50712823
  H     14.32704671      8.50153897    -17.06483197
  O     16.91071722      6.10672300    -16.60155488
  H     17.21041994     11.17003116    -10.18069955
  H     18.47472858     12.41919376    -11.71514165
  O     17.79180354      5.74509508    -12.18881130
  H     14.69074573      8.74694477    -14.79244396
  H     19.12144493     13.00032420    -10.43847255
  O     21.21297589      9.95379284    -16.53752246
  H     16.22113064      8.68458124    -14.55151087
  H     19.32555032     10.52456925    -11.56671817
  O     17.68563214      8.57578045    -15.49724656
  H     18.51537935     11.23790124    -13.29225308
  H     18.48903478      9.30991656    -12.05160732
  O     14.82521790     11.55084943    -16.47940618
  H     17.20442207     11.99314688    -13.64090517
  H     15.05699114     11.54002259    -10.74587423
  O     16.95625942      8.39452199    -11.76962924
  H     19.68873486      5.47555254    -15.01346944
  H     13.68710502     12.23818953    -10.66058914
  O     13.75507231      8.88142941    -16.37332149
  H     20.02367260      6.68901332    -14.13838062
  H     20.37017611      8.53469606    -17.55833409
  O     18.71360147     12.21568355    -10.79563100
  H     20.01349301      4.68319836    -17.47246547
  H     19.20523880      8.19053329    -18.51552055
  O     19.27856407      9.83878667    -12.24206102
  H     19.75718108      6.20018407    -17.31314410
  H     15.00659593     11.80300672    -12.91062495
  O     14.39816415     12.03499448    -11.26155513
  H     16.51228682      5.82470300    -15.76479106
  H     15.37072868     10.58152377    -13.79384354
  O     19.91903773      7.80268691    -17.99432790
  H     17.76228346      5.66814853    -16.71010758
  H     18.72386834     11.67203106    -16.57017914
  O     15.44797692     11.54120336    -13.73238373
  H     17.99034984      5.05675892    -11.55957564
  H     19.11188478     12.18998620    -15.17911106
  O     19.48041191     11.96372011    -16.04098067
  H     18.49632903      5.72280989    -12.86189975
  H     17.77578468      9.54362115    -20.20178331
  O     17.74562022      9.09194279    -19.36204923
  H     22.06646158     10.29893545    -16.78553001
  H     17.59989911      9.77391520    -18.68236395
          69
 Energy    -248.34797490372779     
  O     11.97321814     11.34479060    -11.87685179
  H     12.72676620     11.59822753    -11.33493674
  H     15.55847144     12.12338644    -16.99267248
  O     17.27534905     12.33903639    -13.00635352
  H     11.86830798     10.39202728    -11.75355088
  H     13.86622318      7.81471029    -14.03303298
  O     14.04419358      9.09872609     -9.87285360
  H     16.88399630     13.12053987    -12.60419778
  H     12.56617291      8.08033615    -13.23374718
  O     17.61875283      7.81372897    -11.90505352
  H     16.52765868     11.74905788    -13.20172571
  H     15.23020091      9.77250481    -13.48629289
  O     16.63018425      8.06648056     -9.27429821
  H     14.27722892     10.02865709     -9.98397423
  H     14.35704476     11.04278056    -13.78125518
  O     19.00819252      6.10055572    -13.57165525
  H     14.86150353      8.64041402     -9.64667733
  H     11.71248392      9.29986649    -16.69058691
  O     12.81079580     11.82419194    -14.44790939
  H     17.26730855      7.75022831    -11.00948789
  H     12.56126319      8.96078347    -15.44102246
  O     17.16401438      9.10658379    -15.98810533
  H     18.05774657      8.67509820    -11.97463136
  H     17.94928306     10.61187303    -10.40668839
  O     18.84141032     10.30286460    -12.04718554
  H     16.92303274      7.72757324     -8.43259316
  H     16.54351587     11.14874216    -10.03050650
  O     14.96496894     10.49261424    -17.13317339
  H     16.91020787      9.00001645     -9.31533568
  H     20.10548629      9.22204466    -14.89815270
  O     19.53251341      7.59800984    -15.78985515
  H     18.84172583      5.19730513    -13.31409466
  H     19.69018097     10.70153210    -14.93363925
  O     15.99379395     12.98657484    -16.86883977
  H     18.54890186      6.65395623    -12.92021678
  H     15.13533694     13.72270797    -15.29160977
  O     12.90836086      7.91793590    -14.12109408
  H     12.53596871     11.13304418    -15.06154275
  H     13.86027994     13.30060368    -14.54626574
  O     15.11353908     10.70768926    -13.28389845
  H     12.36529487     11.68089884    -13.59891750
  H     15.10064845     14.17655258    -12.88074416
  O     12.42638345      9.61988232    -16.14615499
  H     17.49856553      9.99553782    -15.80072911
  H     15.43072920     15.14048979    -11.71673101
  O     17.29656691     10.65050225     -9.69428219
  H     17.93928323      8.53623551    -16.05885117
  H     14.85678578     11.24874632    -11.61252018
  O     20.21199130     10.06032662    -14.43386001
  H     18.32044083     11.07165460    -12.32235280
  H     14.91839765     12.64942494    -10.98244705
  O     14.59079960     13.93614226    -14.52568487
  H     19.47469244     10.16017231    -12.76516892
  H     17.54524906     12.21196103    -16.12452347
  O     15.43622685     14.22050042    -11.96573132
  H     14.11235562     10.14709309    -16.84503089
  H     17.94539842     12.02612268    -14.65699796
  O     14.75378127     11.72228441    -10.76972865
  H     15.64032315      9.86683329    -16.84191169
  H     11.30441133      8.03779931    -11.01902681
  O     18.14496533     11.71709961    -15.55267497
  H     20.11353557      7.12835425    -16.38251586
  H     12.72392195      8.63911937    -10.89484646
  O     11.97375128      8.51441998    -11.50350182
  H     19.37808926      7.01615625    -15.02582722
  H     16.18929974      8.35303232    -14.66572544
  O     15.67470985      8.06873056    -13.89630422
  H     15.93533360     13.44260874    -17.70450510
  H     16.30133550      7.89146418    -13.18329598
          69
 Energy    -248.34795367669415     
  O     17.62972217     11.16609743    -14.41006395
  H     17.95792652     10.84249066    -13.55868534
  H     16.83895194      6.28524207    -10.60840010
  O     15.47797768      6.29714300    -11.96278297
  H     16.88844252     11.74560995    -14.20383093
  H     13.11674590      7.55272047     -9.20244056
  O     12.02698741      9.36985117    -12.41429690
  H     15.55716582      6.03847306    -12.88977969
  H     12.69851139      6.28906906     -8.43491361
  O     12.71818329     11.10211284    -10.39264697
  H     15.64906539      7.25289201    -11.94318218
  H     14.45193273     11.92518980    -10.63850665
  O     19.37627515      7.50372212    -12.10811841
  H     12.25988559      8.45086102    -12.22635217
  H     15.98516089     11.91255446    -10.37254455
  O     12.24952363      7.53910602    -16.01450531
  H     11.39484400      9.36116121    -13.14977531
  H     16.60169049      9.36906986    -11.91227317
  O     15.41489580      5.88685458    -14.72299525
  H     12.41327298     10.52191838    -11.11156851
  H     15.23109339      9.39057681    -12.64154420
  O     14.22125650     10.11860482    -13.96244981
  H     11.94324871     11.53629833    -10.04471933
  H     17.65024392      9.90822020    -15.59074532
  O     16.83817284      8.74866928     -8.45570362
  H     18.91434099      7.27026656    -12.93365254
  H     18.19711764      9.40242152    -16.94737591
  O     12.63849440      5.29180193    -14.28550610
  H     20.26429982      7.16531224    -12.18772353
  H     17.27819940      6.42803980    -14.54784639
  O     14.25132786      8.94157700     -9.50716854
  H     12.32188178      6.71843045    -15.51176226
  H     17.99717835      7.69204367    -15.05552111
  O     17.57281546      6.60350761    -10.06767300
  H     13.15602641      7.83314982    -16.17011072
  H     12.45648033      6.62166195    -10.96964258
  O     12.45314841      6.84423961     -9.17139738
  H     14.54143326      5.48177466    -14.67134534
  H     13.69281011      6.51788695    -11.88400864
  O     15.28854677     12.33622091    -10.88730595
  H     15.27141845      6.74326986    -15.15455823
  H     11.11940187      8.63642558    -15.21596060
  O     15.70755555      9.00857907    -11.89406382
  H     13.39265877      9.97192712    -13.48787434
  H      9.78746405      9.40765093    -15.22202956
  O     17.65071689      9.15332283    -16.20707753
  H     14.47252538     11.04782317    -13.88711144
  H     17.99379025     11.65713187     -8.82144769
  O     18.07113752      6.96255609    -14.42710827
  H     15.88303079      8.77672523     -8.59657009
  H     17.31534995     10.28659522     -9.05664407
  O     12.73526094      6.66807754    -11.89461954
  H     17.15182379      7.96498046     -8.93127950
  H     15.85197577      8.62856004    -16.19166465
  O     10.54488170      9.20945783    -14.67913731
  H     12.12866501      4.48934811    -14.20638559
  H     14.68281894      9.00225438    -15.25459446
  O     17.53308415     11.13905725     -9.47595636
  H     12.56077506      5.75515621    -13.43467745
  H     15.10543432     13.55707497    -13.78330195
  O     14.96461459      8.36067397    -15.92524410
  H     14.78980837      8.92168254    -10.31303629
  H     15.35349105     12.59487939    -12.59618721
  O     15.31913800     12.65346227    -13.56818308
  H     13.67950087      9.71265082     -9.60131412
  H     18.20472904     10.45894387    -11.06386002
  O     18.29985707     10.08153847    -11.94791266
  H     18.25947218      6.84931636    -10.69938904
  H     18.77961649      9.24455209    -11.88985060
          69
 Energy    -248.34795123507604     
  O     12.42003776     13.39791849    -12.42745230
  H     12.21440139     12.60461110    -11.89889494
  H     13.61850928      8.12770824    -14.14449844
  O     18.72335611      8.03543286    -10.13084342
  H     11.66819540     13.97967213    -12.35644807
  H     15.25263328      9.70293253    -13.09644972
  O     17.76150266     11.59214008    -12.16212503
  H     19.22674077      7.50299119     -9.51803084
  H     14.76986376     11.15929245    -13.40351970
  O     11.75164328      8.56207159    -11.84508834
  H     19.28488824      8.16985078    -10.90954630
  H     13.56274011     11.07735934    -15.75011242
  O     16.40163061      6.88598120    -11.33885238
  H     17.70048931     12.55495204    -12.17892055
  H     12.93216498     10.64500727    -17.09435926
  O     14.13966552      8.06074854    -10.31543432
  H     16.88692614     11.25347649    -12.41371398
  H     17.67381571     10.97368281    -10.40664380
  O     18.35770475      6.19175372    -13.37068423
  H     12.04458340      8.53313424    -12.77313206
  H     17.86461623      9.67664814     -9.61659285
  O     13.89065072     12.30665225    -14.54925907
  H     10.98505511      7.99797958    -11.78363109
  H     21.13621404      8.22745358    -12.67378545
  O     17.57829342      8.04090156    -15.27913361
  H     17.13463458      7.29217743    -10.86155880
  H     19.85728467      8.97576134    -13.10007891
  O     16.27620124      9.97568564    -16.86691731
  H     15.59032443      7.17937748    -10.89428383
  H     16.95130922     13.04640079    -15.28583117
  O     18.12085897     11.83428589    -16.22043890
  H     13.31633449      8.12622380    -10.81452597
  H     16.63338775     13.91303880    -14.04007183
  O     12.72293613      8.42763971    -14.36209955
  H     14.35259729      8.96317939    -10.05305554
  H     16.32571394     14.14321988    -11.77018561
  O     15.27262795     10.61706057    -12.78468615
  H     17.66702892      6.21506915    -12.69597320
  H     17.52452823     15.11466813    -11.89463779
  O     13.46564805     10.33152436    -16.36785344
  H     19.06074199      6.76435438    -13.04235502
  H     14.86664063     12.81642962    -10.50385334
  O     17.44215415     10.54151086     -9.57234882
  H     14.68724582     12.83915200    -14.70602141
  H     14.03410505     13.69473449    -11.45548357
  O     20.19946853      8.29106234    -12.50185122
  H     13.33864564     12.75501956    -13.89737509
  H     18.89794844     10.76399464    -14.88977794
  O     16.26691210     13.58389010    -14.86981913
  H     18.07347235      8.77944768    -14.89932604
  H     18.64347769     10.68225656    -13.37658206
  O     17.15090554     14.31732085    -12.25925677
  H     17.85987082      7.25397765    -14.78997225
  H     11.88425866     10.31860330    -11.24031104
  O     14.86689966     13.66077893    -10.96913560
  H     16.61662057      9.16262465    -16.47102792
  H     12.91512508     11.10929248    -10.41178129
  O     19.04103285     10.20063689    -14.11920057
  H     15.32460803      9.99586506    -16.71516011
  H     14.87103829     10.76574173    -11.05299502
  O     12.09013564     11.20088690    -10.90538234
  H     17.43040499     11.20706011    -16.50510785
  H     15.66694732     10.77455246     -9.72131813
  O     14.77946846     10.88919619    -10.09285585
  H     18.54013192     12.15610571    -17.01447764
  H     16.06167737      7.99204771    -14.28872566
  O     15.34087126      7.99761897    -13.64678839
  H     12.83649490      9.03619050    -15.09973976
  H     15.67077830      7.56670227    -12.84689134
          69
 Energy    -248.34788571652228     
  O     13.56845308     11.90114895     -8.43222245
  H     13.57202971     11.76544019     -7.48817594
  H     10.21683404     13.29594933    -13.29611699
  O     11.18895046     10.89268037    -14.94559840
  H     13.80120962     11.04446637     -8.83668411
  H     13.52464328     14.74683541    -11.74478007
  O     14.01545685      9.54634441     -9.66683615
  H     11.34545248     10.98304229    -15.89298556
  H     13.52605208     13.30243572    -12.29507379
  O     18.64102075     12.99254276    -13.05545623
  H     11.14383305     11.78976231    -14.58497533
  H     11.99423386     13.88259643    -15.46038187
  O     11.54499133     12.40012237    -10.29682941
  H     14.74053296      9.30773768    -10.26009532
  H     12.36480725     13.14308477    -16.75773937
  O     11.68061282      9.70062359    -11.23153012
  H     13.19677322      9.36606794    -10.14556910
  H     15.34191213     11.87818965    -12.28711701
  O     13.21742427      9.66978382    -13.52443446
  H     19.58839999     13.02753304    -13.15504814
  H     14.11885194     11.16821795    -12.97451869
  O     15.03579157     15.69428273    -11.26662054
  H     18.30619706     12.37767981    -13.73306593
  H     16.73189532     12.04600854    -15.18376277
  O      9.47304663      9.96112571    -12.87037686
  H     12.12262388     12.26292877     -9.53527656
  H     16.92173135     10.58837343    -14.72519316
  O     15.14824310     13.12968848    -15.26886560
  H     12.01331245     13.02542853    -10.86976299
  H     12.94135128     11.07386054    -17.36411145
  O     14.54129836     10.73951796    -16.72826728
  H     11.66925559     10.61089406    -10.90688514
  H     11.87411618     11.17507482    -18.48194274
  O     10.97012027     13.48022737    -13.86959705
  H     10.85951489      9.59552188    -11.73345824
  H     16.49074985      9.99671240    -11.35126308
  O     12.94353678     14.03186665    -12.02718909
  H     12.76857074      9.53665935    -12.67868824
  H     16.07987909      9.01185210    -12.45422324
  O     12.65447850     13.84607220    -16.16362131
  H     12.55851554     10.05193207    -14.12178190
  H     15.74681186      8.12897909    -14.75018207
  O     14.55719954     12.01558123    -12.83396729
  H     15.59452955     15.44601362    -12.02499127
  H     14.76119889      9.18625998    -14.18558465
  O     17.39457362     11.41436743    -14.87411778
  H     15.19864465     16.61833282    -11.09774997
  H     16.54404436     12.36254156    -10.57379944
  O     12.04294805     11.38967631    -17.56877380
  H      9.19997060     10.82096044    -12.52755933
  H     17.55873855     12.19949369    -11.75535978
  O     16.09195289      9.12516792    -11.50222165
  H      9.93921990     10.15160168    -13.69545142
  H      9.94707349     12.54820766    -11.15379631
  O     15.65607479      9.05848369    -14.54942184
  H     14.32866379     13.51382572    -15.61554798
  H      8.48305084     13.01794227    -11.29519604
  O     16.85363213     11.75987816    -11.26750795
  H     14.93609882     12.73950373    -14.40495220
  H     17.31685874     14.35213921    -13.25041653
  O      9.20839394     12.63094185    -11.77960605
  H     14.78091779     11.58559935    -16.32730689
  H     16.07732949     14.48418547    -14.15255122
  O     16.52613114     14.88543547    -13.40009382
  H     14.94217890     10.07030261    -16.16700258
  H     14.92477144     13.06332270     -9.13667576
  O     15.70307857     13.48798921     -9.51801236
  H     11.67409791     13.78427516    -13.27712085
  H     15.40616515     14.27063215     -9.99650120
          69
 Energy    -248.34753009658272     
  O     -5.13155940     -2.04432142     -5.51939757
  H     -5.07560458     -2.99594469     -5.37227264
  H     -4.14385213     -2.42189788     -2.61902645
  O     -0.42231405     -0.26241370      2.03435545
  H     -4.33312078     -1.81377375     -6.01516959
  H      3.59157677     -2.82760599      1.08654831
  O     -2.72920630      0.51564758     -2.79581430
  H     -0.77743800     -0.09239069      2.90212376
  H      2.67270345     -1.62949612      0.74550218
  O     -1.34777507     -0.45223811     -0.61623480
  H     -0.25939120     -1.22272040      1.97752378
  H      0.99803281     -2.95401788      1.24879620
  O      1.22195244      0.29773913     -6.03331133
  H     -3.61070133      0.12486612     -2.84948964
  H     -0.49144968     -3.14853093      0.86827719
  O     -2.13309605     -4.39944361     -6.33408888
  H     -2.35125937      0.27826085     -1.93691306
  H      1.68260686     -2.21751791     -3.90756559
  O      0.35041172     -4.40612325     -2.31907196
  H     -1.13981550     -0.24787610      0.30382809
  H      0.94832457     -3.06009221     -4.98806668
  O     -5.16855759     -0.88598277     -3.06986856
  H     -1.38091439     -1.41761995     -0.68425771
  H     -0.84062619     -3.71052709     -1.24952962
  O      1.11285106      0.23305542     -1.76717874
  H      0.40926670      0.37116348     -6.54716367
  H     -2.33172732     -3.32961207     -1.17372746
  O     -1.53058009     -1.71682811     -4.01049909
  H      1.25391596     -0.60352536     -5.68230119
  H     -0.58029652     -4.67111960     -5.60009308
  O      2.20224330     -2.27696511     -2.13657564
  H     -2.92901352     -4.63287450     -5.84162640
  H      0.71990291     -5.50496777     -5.62478718
  O     -3.48807127     -3.12951341     -2.65568539
  H     -2.26496881     -3.48792421     -6.62764090
  H      1.91929047      0.27778587     -0.06634346
  O      2.80724977     -2.58370681      0.60201808
  H      1.03833042     -3.72881654     -2.26496446
  H      1.34507216      0.09821306      1.34961116
  O      0.09757905     -2.87853447      1.58651576
  H      0.27276809     -4.63310242     -3.25233297
  H     -4.10786388     -4.27835189     -3.90182362
  O      1.16700603     -2.15671065     -4.72304405
  H     -5.21109161     -1.22493844     -3.98280321
  H     -4.90691207     -5.50839873     -4.38867513
  O     -1.49666151     -3.25274417     -0.69873480
  H     -6.05176909     -0.61519814     -2.83462778
  H     -2.21679032     -1.69253134     -5.67233142
  O      0.29239678     -4.77612870     -5.18260361
  H      1.07728363      0.88430083     -2.47783737
  H     -2.20614542     -0.82425953     -6.94458518
  O      2.16575431      0.05840700      0.84280619
  H      0.21479827      0.06629633     -1.45031569
  H     -1.51775829      1.30184265     -6.36679836
  O     -4.44882280     -4.72891835     -4.69254607
  H     -0.57653005     -1.77200764     -4.13945768
  H     -1.49159932      1.44402287     -7.90702075
  O     -2.57323454     -1.63432135     -6.57256792
  H     -1.75876179     -0.85259667     -3.64417792
  H     -0.70205121      2.18832268     -4.45873173
  O     -1.36412217      0.81818892     -7.19890270
  H      1.84085529     -1.38218241     -2.04182950
  H     -2.09089449      1.63763755     -4.09019389
  O     -1.59723546      2.07087954     -4.79969898
  H      2.54123823     -2.50979324     -1.26375198
  H      1.23854675      1.40635661     -4.70670898
  O      1.12618333      2.00151343     -3.94252591
  H     -2.72562940     -2.75664007     -3.12849411
  H      1.76326677      2.70400077     -4.04357170
          69
 Energy    -248.34749739446323     
  O     -1.12221539      4.05673550     -3.15517454
  H     -1.18780844      4.38910498     -4.04659093
  H     -2.95469834     -1.09955097     -1.24470834
  O     -3.65019844      1.99399122     -0.70766200
  H     -0.24314764      4.31476857     -2.82424239
  H     -1.36131560      2.09969629      4.65238492
  O      1.17303554     -0.09237487      3.52986298
  H     -2.84357503      1.79379598     -1.20719297
  H     -1.86522386      2.92009576      3.45806132
  O      3.25021804      3.19765875     -0.83685861
  H     -4.00595372      1.14103847     -0.43206079
  H      0.81060501      6.35092050      0.89295618
  O     -0.09678445      3.34502184      0.78226222
  H      1.37224786      0.84388275      3.38845527
  H     -0.65461389      6.32671036      0.38554938
  O     -1.19492246      0.15923566      4.80016242
  H      1.02805759     -0.46333729      2.64890895
  H     -2.32622342      1.53411950      1.94687024
  O     -4.06928134     -0.63004725      0.26901542
  H      4.16788088      3.14544206     -1.09154503
  H     -3.03182723      2.48498566      0.97496524
  O     -2.06470539     -0.25383634      2.13676105
  H      3.23718367      3.55209755      0.06944214
  H     -1.03518932      4.83017083      3.86581401
  O      0.36689657     -0.77178872      0.92846956
  H     -0.01748758      4.27413307      0.54235753
  H     -1.44804989      5.78928523      2.71994134
  O      1.24055973      2.67442565      3.11824712
  H     -0.99558759      3.17253146      1.09076262
  H     -1.27405665      2.27622164     -2.63516759
  O     -2.98715333      4.68661195     -1.06599657
  H     -1.24178730     -0.35952323      5.59854007
  H     -0.46924435      1.32045382     -1.73053629
  O     -2.27222352     -1.23359045     -1.91267990
  H     -0.30490188      0.01924465      4.42566439
  H      1.92212356      7.23238119      3.05351730
  O     -1.35987263      2.99049407      4.28211187
  H     -3.40242005     -0.57700120      0.97393301
  H      0.80248826      6.17067139      2.95019112
  O      0.25438708      6.11205080      0.13957830
  H     -4.76884601     -1.19103724      0.59423640
  H     -2.66357202      5.67853827      0.32229864
  O     -2.52178150      2.47062907      1.79407067
  H     -1.89022282     -0.22833280      3.08524759
  H     -3.03485940      6.95402601      1.10733729
  O     -0.81335270      5.66491031      3.43621911
  H     -1.22533726     -0.45502134      1.69483430
  H      1.91168488      1.78984085     -0.87357969
  O     -1.32302344      1.43065794     -2.17110057
  H      0.22458360     -1.54807097      0.36762946
  H      0.58316163      2.08448062     -0.18102446
  O      1.62826255      6.48508686      2.53945433
  H      0.68202965     -0.06043877      0.35545880
  H     -0.99273955     -2.28869269     -1.27525369
  O     -2.39077274      6.25172353      1.06109822
  H      0.50732158      2.85082309      3.71847095
  H     -0.01279178     -3.46780763     -1.41258250
  O      1.05079587      1.40012760     -0.68906668
  H      0.88104484      2.89593763      2.24550824
  H      2.76631406      5.03869053      1.95975340
  O     -0.28061916     -2.77042312     -0.82086035
  H     -3.42295246      3.82919572     -0.97922219
  H      2.70171822      3.56484564      2.33327359
  O      3.13491959      4.17894425      1.72520143
  H     -2.35500383      4.58124214     -1.78752230
  H      0.96557576      5.40031636     -1.38595459
  O      1.24618201      4.82620963     -2.11323271
  H     -1.95585818     -0.35222470     -2.15066664
  H      1.95577420      4.27673097     -1.76158650
          69
 Energy    -248.34749419869689     
  O     16.97570624      9.81181108    -11.35918860
  H     17.40054083     10.49447360    -10.82662237
  H     12.92204977      8.25936172     -5.67111856
  O     18.24112719     11.52993579     -9.51326700
  H     17.65547312      9.16972544    -11.61480739
  H     17.06890634      3.87138021    -14.44768287
  O     12.74842695      6.24198187     -8.44787202
  H     18.73720694     10.79665114     -9.10369117
  H     16.08477980      5.02976365    -14.15888166
  O     14.57523193      9.29886560    -12.65087341
  H     18.87717457     12.20327900     -9.73970657
  H     14.46208409      6.08702024    -10.88891955
  O     18.75707850      7.81025879    -11.95042083
  H     13.55147803      5.95076055     -8.89961463
  H     15.34790905      6.71689880     -9.78601065
  O     20.95226709      7.63868368    -10.19375062
  H     13.03054865      6.75465416     -7.68176348
  H     18.29786479      7.61732858    -13.75000869
  O     17.50109896      5.39956597    -11.28829707
  H     14.80333308      9.13441303    -13.57472743
  H     17.68694003      6.41050200    -14.47704701
  O     11.31027883      7.44648540    -10.41436288
  H     15.40122164      9.54797139    -12.21212428
  H     15.53784116      8.93058454    -16.05446606
  O     15.96390427     11.93556858     -7.89980333
  H     19.58640209      7.83054247    -11.45886276
  H     16.37643102      8.16058633    -15.00725783
  O     12.76950676      9.91333630    -10.49923019
  H     18.30099274      6.99520479    -11.69141180
  H     16.32053513      8.80717423    -10.00357543
  O     14.05723344      9.95663302     -8.09718709
  H     21.86584874      7.37617342    -10.25993779
  H     15.28741746      8.84926835     -8.84584000
  O     13.56989031      7.97502886     -6.31156963
  H     20.46987031      6.88651136     -9.80108297
  H     20.13903398      8.91691682     -9.04303332
  O     16.97760060      4.68979645    -13.96732593
  H     17.35872515      5.04588750    -12.17514309
  H     19.02834999      8.79018549     -7.98429996
  O     15.01791457      5.87013895    -10.12646291
  H     16.63361121      5.45432359    -10.86375944
  H     15.17328484      7.17036712     -5.78204021
  O     17.86843405      7.35362959    -14.57425845
  H     10.38621937      7.22004408    -10.35766728
  H     15.78017481      5.85792409     -5.27226026
  O     15.48526402      8.50118819    -15.20483381
  H     11.75601522      7.00766156     -9.66765853
  H     12.57924668      6.96717008    -11.69986154
  O     15.95805003      8.29792873     -9.26804205
  H     16.25640511     12.44830089     -7.14929862
  H     13.81527061      7.67767588    -12.31415058
  O     19.55845832      9.43495714     -8.47298479
  H     16.74466259     11.82015124     -8.46038704
  H     18.84682079      6.19072679     -8.50814751
  O     16.00930407      6.74495507     -5.54295331
  H     13.31632455      9.83669053    -11.29079207
  H     18.74529665      5.43049351     -9.85463507
  O     13.39817812      6.81230341    -12.18530526
  H     12.18376524      9.14585046    -10.49946366
  H     17.36324428      7.16724629     -6.72255600
  O     19.36609750      5.71345027     -9.17091226
  H     14.65433804     10.71276912     -8.01095884
  H     17.22395122      7.72626593     -8.14958441
  O     17.87511375      7.41912588     -7.50091877
  H     13.55671765     10.04202471     -8.92357365
  H     14.06204219      6.04458063    -13.71680921
  O     14.59110483      5.85557959    -14.50444426
  H     13.72067126      8.73068071     -6.90636873
  H     14.78893616      6.71812430    -14.88908918
          69
 Energy    -248.34741337312829     
  O     13.35068285      9.62305587    -17.28161620
  H     13.67874916      9.64758610    -18.17653529
  H     13.45140273     12.52471281    -14.19778929
  O     11.82719089      7.97857196    -10.77181186
  H     12.92934154     10.48558212    -17.11495879
  H     17.24010960      9.49993278    -11.92145350
  O     14.42017921      8.83440136    -14.82164370
  H     12.77534352      7.88956380    -10.95639215
  H     17.28730231     10.07957642    -10.48091697
  O     12.18925334     11.15067133     -8.30579564
  H     11.76532546      7.98274846     -9.80796537
  H     17.10859573      7.49411145    -13.58200507
  O     12.00164271     11.92150737    -16.74672101
  H     13.59947009      8.68507589    -14.32944588
  H     15.83668235      8.33510643    -13.82703527
  O     11.91178298      8.58416424    -13.58599445
  H     14.16211957      9.03701961    -15.73018131
  H     13.81841327     14.36154239    -11.41957693
  O     14.90166260      8.15453682     -8.42487635
  H     11.73277635     11.17731024     -9.15828687
  H     12.32999835     14.35560176    -11.05640625
  O     13.93016203     10.80301480    -11.32596419
  H     13.05831837     11.54840515     -8.44639817
  H     14.39133591      9.07528682    -11.23009535
  O     12.08353911      8.45322930     -7.96471603
  H     11.08328807     11.65582778    -16.61541163
  H     15.24437070      7.92568404    -11.82052214
  O     15.54212494     14.26742134    -10.65419748
  H     12.23126598     12.46881471    -15.98417126
  H     16.25149939     12.39465475    -13.08232553
  O     11.16662927     10.72337810    -10.89192527
  H     11.76104328      8.21273234    -12.71034174
  H     17.22699717     11.88742397    -12.01430823
  O     12.63409390     13.04518086    -14.23420717
  H     11.54160784      9.47929354    -13.57613481
  H     11.37697444     11.82771833    -13.79135121
  O     17.58317527     10.22401677    -11.38725859
  H     13.98667114      8.20604059     -8.12643046
  H     10.15187896     11.04940028    -14.34248748
  O     16.50265619      8.09843710    -13.16010915
  H     14.84919596      7.98961418     -9.37754229
  H     15.52206216     11.54622891     -8.81630791
  O     12.92922796     14.36521961    -11.80049922
  H     14.28813063     11.26629087    -10.55826612
  H     15.10264589     12.91339310     -9.45984118
  O     14.55315175      8.11940553    -11.17846002
  H     12.96871313     10.83801492    -11.24378551
  H     14.77410058     10.59648895    -14.30022546
  O     16.84875730     12.69756491    -12.38690407
  H     11.56693571      8.22758032     -7.19566218
  H     14.54990781     11.26137657    -12.92732544
  O     10.73194037     11.13773132    -13.57705922
  H     12.11564573      9.42596270     -8.00383476
  H      9.89898000      9.84928649    -16.17938307
  O     14.76995091     12.11694022     -9.02589773
  H     16.05450881     13.73630899    -11.29238388
  H      8.60830769     10.66260271    -16.44696311
  O     14.81500350     11.44361477    -13.84408219
  H     16.03906514     15.06625227    -10.50009924
  H     17.41816402     10.04158650     -7.97422219
  O      9.47624617     10.71828643    -16.05736915
  H     11.25047432      9.75945410    -10.85637233
  H     16.09019709      9.41762817     -8.46503913
  O     16.71860997     10.14660780     -8.61401724
  H     10.83782135     10.94770720    -11.77293806
  H     11.21456204      8.26525661    -15.33010364
  O     10.94235185      8.42973329    -16.24297779
  H     12.66391824     13.62920145    -13.46473153
  H     11.74617690      8.69065745    -16.70940880
          69
 Energy    -248.34731618204972     
  O     -6.83072864      2.82445491     -0.08464257
  H     -6.66793942      2.28268249      0.69440293
  H     -4.71170920     -1.66156248      3.98619583
  O     -3.57308217      3.73528108     -2.74132083
  H     -6.11636675      3.47125351     -0.14136799
  H     -0.73007489      0.84055179      1.53023315
  O     -3.15037592     -1.81753178      0.84397259
  H     -3.99090617      2.87703062     -2.89783642
  H     -1.34099505      2.26437306      1.70080861
  O     -0.79461534      0.19217438     -2.16543008
  H     -2.64492633      3.54300087     -2.55228460
  H     -3.09185031      2.26381273      0.47110577
  O     -4.71741140      1.18628572     -2.68783367
  H     -3.64116575     -1.71033123      1.66874367
  H     -3.32922148      3.79570343      0.41340325
  O     -4.78094357     -2.59070465     -1.29027380
  H     -3.73455716     -2.22475018      0.19116742
  H      2.21681663      0.37669185      0.88364405
  O     -3.18859482     -1.12395144     -2.90543542
  H     -0.99481664      1.13285731     -2.05565482
  H      1.16908034     -0.69230094      0.53449437
  O     -1.12796637      2.91877670     -1.61967939
  H      0.15015537      0.13286865     -2.35692893
  H      1.03124543      2.03260144      1.87557202
  O     -0.71303309     -0.62328157      0.49360768
  H     -5.68199422      1.17683813     -2.66613346
  H      2.40047715      2.57105097      2.34805702
  O      2.02981165      0.21414971     -2.24221515
  H     -4.42056267      1.05602111     -1.77432624
  H     -7.32187625      1.86266528     -1.46020574
  O     -6.06358203      0.66865301      1.74447165
  H     -4.95195599     -3.44496459     -1.67809935
  H     -8.27281250      1.49629360     -2.62710392
  O     -4.46427605     -1.12103536      3.24067987
  H     -4.19967695     -2.11275140     -1.91015108
  H     -3.28030802      1.50718161      3.86212570
  O     -0.70516365      1.64267830      2.07626463
  H     -3.73637260     -0.34175214     -3.06071858
  H     -1.88362021      0.98559453      3.48103872
  O     -2.73797735      3.11913421      0.77064074
  H     -2.30315332     -0.78393510     -2.72499014
  H     -7.16698603     -0.28975973     -1.05043637
  O      2.09474251     -0.44753612      0.39607087
  H     -1.55287972      3.06258864     -0.76724562
  H     -6.21999030     -1.46433123     -0.69612461
  O      1.96120696      2.14501855      1.61645576
  H     -0.17362657      3.02275486     -1.48362785
  H     -4.68124853      0.79682663      0.51131939
  O     -7.47840895      1.22169978     -2.17762054
  H     -1.46435383     -1.20219084      0.67655306
  H     -3.46237921     -0.06710038      0.15001910
  O     -2.67944219      0.75540625      3.97299525
  H     -0.76912687     -0.36825995     -0.43866190
  H     -4.32868833      4.41383655     -1.34462171
  O     -6.88428515     -0.86757664     -0.33062454
  H      2.14556646     -0.09727340     -1.32658995
  H     -4.83227446      5.62114011     -0.51025333
  O     -3.87608670      0.78638537     -0.02306230
  H      2.73742798     -0.16517764     -2.75594621
  H     -5.14084907      2.14833375      2.71623748
  O     -4.67427226      4.68149675     -0.47264209
  H     -5.61017468      0.06606353      2.34955701
  H     -3.90254537      2.99187711      2.37307954
  O     -4.46516533      2.71494118      3.10571466
  H     -6.48642554      0.10453337      1.07403899
  H      1.83298843      2.03794959     -1.60678456
  O      1.56456405      2.84299023     -1.14676493
  H     -3.77557777     -0.50527611      3.55294057
  H      1.77597461      2.69813580     -0.21635135
          69
 Energy    -248.34701056704426     
  O     12.85906577     11.51408088    -10.31778224
  H     12.94951366     10.83132126    -10.99748201
  H     10.64309272     14.25470333    -12.78442981
  O     11.05693596     12.52461924    -15.14975201
  H     13.02810300     12.36936848    -10.74012121
  H     14.31166333     14.29522638    -11.13627361
  O     12.95938629      9.52302517    -12.34245411
  H     11.22463858     13.21330290    -14.49158667
  H     13.96434503     13.30640439    -12.26889040
  O     18.36965257     11.54775579    -13.38978888
  H     10.25311151     12.06773125    -14.87099787
  H     12.82224250     16.87865587    -15.00166703
  O     10.14450306     11.55209951     -9.92618166
  H     12.91505038      9.88306426    -13.24206939
  H     12.41906539     15.53834776    -14.35023301
  O     10.13163553      9.68822947    -12.09458659
  H     13.76256584      8.99178353    -12.32131194
  H     14.19717020     11.72822601    -13.97012630
  O     13.04360546     10.65373284    -14.84263999
  H     19.25448427     11.30162165    -13.12863190
  H     15.08514415     13.01702228    -13.98355906
  O     16.02565854     14.61315201    -10.47253974
  H     17.78046309     11.29143745    -12.65916290
  H     12.66579387     14.78022178    -16.50219447
  O      8.88684233     11.20227210    -13.97421713
  H     11.11609109     11.55772246     -9.95555666
  H     11.90631188     13.45324620    -16.58081431
  O     15.52329427     14.52904059    -14.87977737
  H      9.89755154     11.49333466     -9.00681639
  H     15.91950587      9.26417416    -12.08418840
  O     15.12773740     13.06934666    -17.12493928
  H     11.07033835      9.47438280    -12.16738092
  H     16.00913218      7.72065309    -12.00379106
  O     11.46325429     14.54630758    -13.20889258
  H     10.04242761     10.21862479    -11.29258703
  H     17.31319663     10.30476969    -14.52299774
  O     13.57003796     13.87130959    -11.58383277
  H     13.56391207     10.46863087    -15.63420626
  H     16.35783495      9.14221599    -14.16193027
  O     13.03897187     15.94975084    -14.97513172
  H     12.34207003     11.28317728    -15.06160139
  H     15.04648456      9.62081743    -17.59138398
  O     14.76775802     12.28948775    -13.43129381
  H     16.39343623     15.37610220    -10.03449544
  H     15.62122501      9.99353163    -16.20296371
  O     12.51261788     14.01925175    -17.07517365
  H     16.54759307     14.48139981    -11.28415715
  H     15.79971635     11.40036539    -12.27941878
  O     15.60557865      8.43617173    -12.48925045
  H      8.09358574     10.77167512    -14.28075206
  H     16.17270399     11.22548852    -10.77118289
  O     16.72730105      9.63923485    -14.90133021
  H      9.31945235     10.58861178    -13.35374575
  H      9.53717217     12.79747525    -11.26776463
  O     14.92950118     10.21221118    -16.85269019
  H     14.74726627     15.10128134    -14.87626254
  H      9.01077546     12.66417570    -12.70511894
  O     16.36436296     10.90622384    -11.66287839
  H     15.51942997     14.05547778    -15.72807201
  H     17.81497478     13.42448277    -13.06837462
  O      9.30691395     13.31026787    -12.05218621
  H     15.11245297     12.10688658    -17.11461911
  H     16.82744102     14.48983806    -13.57438746
  O     17.37926463     14.24575841    -12.81712728
  H     14.20888617     13.35496131    -17.24486262
  H     15.68252254     12.92737987     -9.57580751
  O     15.53004740     12.00951693     -9.31497607
  H     12.17623595     14.37837236    -12.57582161
  H     14.59147141     11.83000491     -9.45653050
          69
 Energy    -248.34688299990373     
  O     12.73819182      9.42469814    -10.26283724
  H     12.80049454      8.61901790     -9.73760066
  H     14.04981836      7.47534746    -15.04960250
  O     12.20951835      4.88742620    -14.77858425
  H     13.60006862      9.85514158    -10.19347029
  H     15.02560220      4.15088369    -13.29603419
  O     15.04747389     11.65697879    -12.85595103
  H     11.50270723      4.42687431    -15.22205189
  H     13.50573259      4.08450409    -13.52220117
  O     15.82579697      7.98875351     -8.57876878
  H     11.79517458      5.54992519    -14.19522361
  H     14.24511102      7.27504145     -8.60441266
  O     18.16215927     10.13038825    -10.33620716
  H     15.18802540     11.31218424    -11.96492132
  H     12.98432166      6.74970203     -7.87655617
  O     11.65853111      9.60003450    -12.76207730
  H     14.56913720     10.96818621    -13.32904835
  H     17.60426032      6.38979788    -16.72974679
  O     17.23903492     12.11259737    -14.40479484
  H     16.67162974      7.64170107     -8.88786344
  H     18.83221837      5.46443523    -16.91612649
  O     15.47054777     10.18164815    -10.45297064
  H     15.73565024      8.84931733     -9.00384791
  H     12.03643202      6.55581203    -12.38957882
  O     17.70393992      6.67312486    -12.39757240
  H     18.36866225      9.22395467    -10.08510824
  H     11.28408623      7.73290383    -13.02909098
  O     16.28277351      7.39689631    -17.27069083
  H     18.55217101     10.26861489    -11.21266374
  H     13.13775516      9.37056573    -13.85137260
  O     16.37328139      5.12036265    -14.27936968
  H     11.01606171     10.30477054    -12.76756324
  H     14.53213152      8.79871653    -13.47681877
  O     14.28966690      6.62828167    -15.44155864
  H     12.00501103      9.54611558    -11.85330501
  H     13.74974233      5.26888156    -11.68764406
  O     14.19033245      3.95031697    -12.85453207
  H     17.34143805     13.03283028    -14.63227461
  H     13.40402816      6.17104133    -10.41534424
  O     13.32717927      6.97619771     -8.73652935
  H     16.47266475     12.05248054    -13.80736836
  H     18.13772692      6.98340361    -10.68906931
  O     18.28951432      5.88454829    -16.25468456
  H     16.42470479     10.33287238    -10.35137677
  H     19.06892365      6.78042781     -9.47444184
  O     11.36640385      6.77450544    -13.05556163
  H     15.38894793      9.40608467    -11.03265381
  H     18.64781901      7.40388855    -15.14884787
  O     14.03066797      9.22880519    -14.19197889
  H     18.10436515      7.26022365    -13.05534069
  H     17.80505923      8.67881332    -14.91884476
  O     13.46606137      6.14080652    -11.37709578
  H     17.25549145      5.98341986    -12.90567555
  H     16.14701233      7.58661405    -12.21599365
  O     18.30603508      7.26788129     -9.77583449
  H     15.50541238      7.05269710    -16.80908833
  H     14.64202960      7.35678835    -11.85482731
  O     18.54464643      8.16442547    -14.56430364
  H     16.39180479      8.29589253    -16.93432506
  H     19.09328856      9.65775545    -13.49674207
  O     15.28727227      8.01688379    -12.14890664
  H     15.65509574      5.67197440    -14.62350656
  H     18.54288949     11.08968634    -13.42253228
  O     19.06933826     10.44311818    -12.93717037
  H     17.07863270      5.17585290    -14.93554393
  H     16.75120181     10.58541928    -15.36526136
  O     16.43907452      9.71167112    -15.63408704
  H     13.54019044      6.03056168    -15.32077907
  H     15.57081693      9.59366595    -15.22759159
          69
 Energy    -248.34686529200582     
  O     15.28075408      9.76353099    -10.45565398
  H     15.34185699     10.50041327    -11.07765741
  H     14.65891916      4.72417653    -14.19347824
  O     13.71158391     11.56703011    -15.91074150
  H     16.12042381      9.65399749     -9.99195635
  H     12.30564283      8.65470831    -10.33480119
  O     17.46383957     10.31615058    -13.76583816
  H     14.08402921     12.33974744    -15.46809610
  H     13.69364965      9.07982602     -9.81586398
  O     12.27502173      6.00597202    -12.24146046
  H     13.30935136     11.03190355    -15.21410606
  H     18.60081395      5.93812662    -16.04677318
  O     16.86779278      6.26032372     -9.23334515
  H     18.06072088     10.06966043    -13.04573508
  H     17.56371059      6.99103887    -15.59535249
  O     17.28631317     12.29248207    -15.74795070
  H     16.65540525     10.65925741    -13.36204953
  H     16.01389478     13.21684085    -14.95692282
  O     15.69831883      7.59736888    -12.18007031
  H     12.87409747      5.89299847    -11.49108608
  H     15.29817462     14.50691926    -14.48617096
  O     15.13147032     11.41400334    -12.66334510
  H     12.71941839      5.61185350    -12.99962523
  H     12.34373353      9.59587376    -13.10871995
  O     18.30795522      6.85468387    -12.65205994
  H     15.91172653      6.17374742     -9.35017933
  H     13.44183213      9.16344140    -14.10117652
  O     18.97771518      9.37169281    -11.67127009
  H     17.24777033      5.59261248     -9.81474429
  H     15.49798977     10.64022410    -18.35265463
  O     16.30986126      4.35794385    -13.79105045
  H     16.88432256     11.76448981    -16.44771339
  H     14.94688169     10.86463623    -16.92541542
  O     13.78209670      5.02612421    -14.49005521
  H     17.55057446     11.65848083    -15.06569567
  H     10.34370336      8.49411044    -11.90959004
  O     12.91813551      8.54232430     -9.59880198
  H     15.53147067      8.37779752    -11.63381326
  H     11.59972795      7.62128279    -12.12956017
  O     17.97949998      6.14606201    -15.35333369
  H     15.16396102      7.67137845    -12.97942384
  H     14.77874298      6.55509100    -10.93119506
  O     15.22605942     13.55669282    -14.49564151
  H     14.36139463     10.91853000    -12.98146084
  H     13.73915168      6.94559886     -9.85141425
  O     13.01452364      9.94114621    -13.70994112
  H     15.14037774     12.25103748    -13.14223778
  H     18.66097898      3.97622363    -11.19680360
  O     15.71083215     10.53057101    -17.42987939
  H     17.39517101      7.13509353    -12.46509944
  H     18.18081572      5.34107926    -11.74447667
  O     11.29229528      8.53668104    -12.00026816
  H     18.35059994      6.64904249    -13.59296416
  H     15.16177515      7.94215857    -15.13127743
  O     14.23765725      6.19500925    -10.21256923
  H     18.95043956      8.46461126    -12.00732144
  H     14.13368563      6.81810314    -14.72926674
  O     17.88461780      4.51844446    -11.31731092
  H     18.61577304      9.31348385    -10.77921923
  H     17.39127781      7.95130782     -9.18811607
  O     14.35181416      7.75433830    -14.63959020
  H     16.72272106      4.30875673    -12.92168754
  H     17.93482877      9.09258096     -8.30216836
  O     17.63273833      8.89451667     -9.18498716
  H     16.89720456      4.88843798    -14.34360302
  H     16.44695291      9.15678388    -16.45498798
  O     16.76924444      8.56110759    -15.76646541
  H     13.43267645      4.34198189    -15.05492210
  H     17.06246998      9.12148150    -15.03016357
          69
 Energy    -248.34657164405689     
  O     -2.96451125      1.28821281      1.24142071
  H     -3.65956146      0.61924970      1.21292005
  H     -0.81845780     -2.39549259     -1.45240825
  O     -3.49998926     -2.43551472      6.96376091
  H     -2.77181995      1.37103202      2.18627525
  H     -0.93174389     -4.52953921     -0.39644331
  O     -0.22788368     -0.72038161      4.35483055
  H     -4.09429664     -3.07394129      6.55017574
  H     -2.14044262     -3.64157779     -0.04653658
  O     -2.67369610      0.60579285      3.96836255
  H     -2.61148160     -2.65457804      6.65153654
  H      2.65370814     -2.03306745      3.81094414
  O      1.07752016     -4.73300102      5.07115375
  H      0.68214654     -0.40490521      4.33054694
  H      2.44534011     -3.15417300      2.77679730
  O     -5.10196424     -4.14509945      5.31189726
  H     -0.35875454     -1.19133141      3.51540408
  H     -1.39194262     -2.36864328      1.78061291
  O     -1.08761996     -3.01046585      5.64835173
  H     -3.23424906      0.49771427      4.74762135
  H     -0.58188447     -1.09810021      1.37659635
  O     -0.66984056     -6.06126823      3.20246580
  H     -1.80937694      0.23329583      4.18501997
  H     -3.55405839     -2.39599953      1.66876319
  O     -6.03315672     -1.58761462      4.37169349
  H      1.66838471     -4.10693954      4.61660515
  H     -2.98985882     -3.69524553      2.30696656
  O     -0.59710292      0.33549182      0.27490705
  H      1.61771031     -5.22049926      5.68799299
  H      1.99817783     -2.80105992      0.35732079
  O      0.34840886     -5.63734510      0.54807729
  H     -4.32448658     -4.35581323      4.76752208
  H      0.87607178     -2.82300674      1.42812709
  O     -0.43821549     -1.58849829     -1.84542378
  H     -5.57030615     -4.96461104      5.44862738
  H     -5.09256977     -1.18386970      2.86824195
  O     -1.48599564     -3.81898132     -0.73785623
  H     -0.35005179     -3.62796926      5.56916022
  H     -3.73090416     -0.47148487      2.82210508
  O      2.64229346     -2.99187283      3.70923381
  H     -0.77696740     -2.16318867      5.29958442
  H      2.82415993     -1.61606823     -1.82838880
  O     -0.56024375     -1.89782305      1.92061452
  H     -0.34019822     -5.97484081      2.30046206
  H      1.34111585     -1.58968105     -1.39646342
  O     -2.98915628     -3.16459970      1.49935497
  H     -0.00084340     -5.67725608      3.78368586
  H      2.35066886      0.05800868      2.81224521
  O      1.65677030     -3.30350850      1.10597415
  H     -5.60217397     -0.98979468      4.99505979
  H      3.09683397      0.50999780      4.08748562
  O     -4.37152957     -0.94255545      2.27007830
  H     -5.82093890     -2.47893153      4.67549512
  H      1.14110739      0.53674928      0.87189950
  O      2.25272078     -1.62583917     -1.06439138
  H     -0.70194288     -0.17443747     -0.53597751
  H      2.34333389     -0.27320238      0.40357605
  O      2.46813270     -0.12816261      3.76075981
  H     -1.44630084      0.73947108      0.50930674
  H     -4.02560082     -0.83838833      6.50466080
  O      2.05688573      0.32374204      1.10213467
  H      0.91422461     -6.29046970      0.14313782
  H     -4.67409581      0.51356013      6.88452430
  O     -4.36395650      0.00025777      6.14318243
  H      0.90400559     -4.86279044      0.74076321
  H     -2.24383815     -3.88865950      4.50972235
  O     -2.75546533     -4.48055160      3.94058437
  H     -0.85718504     -1.47822336     -2.69511353
  H     -2.13697767     -5.16967312      3.65559912
          69
 Energy    -248.34638351126929     
  O     19.36382758      9.55371402    -14.99294135
  H     18.56286851      9.39552581    -15.50380234
  H     18.28009843      3.25109195    -13.03391560
  O     21.72894249      6.70726129    -12.14640518
  H     19.76226483      8.68159673    -14.85079371
  H     14.59659798     10.33924579    -14.17520757
  O     15.96352174      8.91053902     -9.82667921
  H     21.38660505      7.43338619    -11.60289432
  H     15.89583952      9.67531075    -13.63749906
  O     13.41978467     11.45275746    -13.37149645
  H     21.48596417      5.88551367    -11.70629072
  H     18.71352704      6.98356219    -13.30958786
  O     16.91860103      8.88798979    -16.37282088
  H     15.51942407      8.05684602     -9.91989146
  H     17.63123297      7.87492413    -12.62453512
  O     18.57248717      5.85787480    -10.29732418
  H     16.79777460      8.73536939     -9.37103808
  H     14.63140241      6.66132289    -13.33300738
  O     14.43948916      6.56951780    -10.37006762
  H     12.59561870     11.93011972    -13.41515666
  H     14.45087578      8.17500853    -13.51499041
  O     20.69548028      4.24671459    -11.06288287
  H     13.39990993     10.95969719    -12.53441769
  H     18.82428202      8.03515431     -7.95573044
  O     16.21697040      4.35819520    -10.29882521
  H     16.26400733      9.16010441    -15.70763389
  H     18.52773925      7.28464432     -9.27680791
  O     16.44382590      2.99614264    -12.61991779
  H     16.67227740      9.31954351    -17.18784603
  H     18.63575521      5.14061456    -15.98512092
  O     20.20733547      7.01700340    -14.36064455
  H     19.34320376      5.29075029    -10.42616909
  H     19.80218285      4.28346032    -16.53353338
  O     19.21197250      3.45553997    -13.17577592
  H     18.36047247      6.24100556    -11.16318797
  H     13.58504152      8.91782657    -11.77633330
  O     15.23830665      9.63740493    -14.35108596
  H     14.33482392      6.81844453    -11.30349122
  H     14.29378158      9.65498960    -10.63407343
  O     17.92929282      6.96405003    -12.74466751
  H     13.56763514      6.60856724     -9.98098246
  H     19.86694132      8.73902037    -10.11854095
  O     14.16508076      7.42949024    -12.97019726
  H     20.20303238      3.92896895    -11.84230729
  H     20.25184630      9.53816166    -11.37993213
  O     18.47513361      8.15135174     -8.83618916
  H     21.22221165      3.51554657    -10.75293612
  H     19.84029232     11.67537997    -12.69157190
  O     19.45444072      4.67419782    -15.73649947
  H     15.54773330      5.05285476    -10.27508053
  H     19.49777753     10.39626567    -13.49554522
  O     13.53264657      9.70758552    -11.22377920
  H     17.06291472      4.81191915    -10.18102650
  H     16.62079209      5.97347063    -13.43349466
  O     20.55532727      8.84328869    -10.78293847
  H     16.01419520      2.14666157    -12.57135918
  H     15.97713533      4.56398025    -13.50909916
  O     19.49736811     10.79058026    -12.60314012
  H     16.34196640      3.41593552    -11.74606272
  H     16.59803636      5.79988898    -15.51123600
  O     15.88883227      5.46984739    -13.82680041
  H     20.84934227      6.88150762    -13.64564327
  H     17.11988161      6.99381507    -16.33926976
  O     17.17470267      6.03502089    -16.25089984
  H     20.11832888      6.19938909    -14.86174052
  H     16.69162227      9.45459497    -11.40581253
  O     17.03395032      9.56319258    -12.30247528
  H     19.28699182      3.82087153    -14.06568662
  H     17.84155687     10.09230865    -12.28127215
          69
 Energy    -248.34612861783029     
  O     12.34980390     10.38838311    -15.99230204
  H     13.23962573     10.45932456    -16.36349663
  H     19.21095004     10.78618470    -12.08702212
  O     17.00667553      7.92689648    -13.26399831
  H     12.25456730     11.11808877    -15.36938725
  H     15.41527412     13.39692991    -14.05175302
  O     15.02012070      9.85627023    -10.29922581
  H     16.31367698      7.25372590    -13.26991274
  H     14.86745897     13.62662571    -15.47792461
  O     16.83249439     12.51310395    -13.17842201
  H     17.24758404      8.07080936    -12.34067709
  H     16.09603141      9.42482856    -13.79863202
  O     16.49522566      8.15621140    -17.31380914
  H     14.60493937      9.02742430    -10.01690872
  H     16.03557259     10.99286803    -13.74952308
  O     13.74932423      7.43045315    -10.05297686
  H     14.44925761     10.18621865    -11.00824078
  H     12.05334766      8.72864173    -15.62630942
  O     14.88753374      6.15146473    -13.15746224
  H     17.70347537     12.20725547    -13.46666161
  H     11.18055831      7.47610345    -15.87523447
  O     13.39159417     10.48224118    -12.45616821
  H     16.79809734     12.44856621    -12.21541444
  H     18.53183555      5.63729327     -9.53971471
  O     19.20513981     11.24302736    -13.96159742
  H     15.84767779      7.63603411    -16.80396514
  H     17.63510644      6.80118542     -9.99626580
  O     15.20192923      4.98830592    -10.60569636
  H     16.71693632      7.63415592    -18.08023150
  H     13.71117002      7.12494854    -15.83975912
  O     18.45392619      9.01442606    -15.34030007
  H     13.21059252      7.48542172    -10.85315697
  H     14.79195058      6.40378234    -15.02602803
  O     19.08117459     10.60091604    -11.14887480
  H     14.21749068      6.59035091    -10.11825811
  H     16.10301762     11.30238643    -10.26780812
  O     14.62732139     13.66240241    -14.54088139
  H     15.01632640      5.62428888    -12.36009756
  H     16.55957365     12.64812390     -9.66561256
  O     15.56657556     10.19691413    -14.03525761
  H     14.13311093      6.73283657    -12.97978186
  H     16.62999487      8.91689908    -10.45494614
  O     11.95951302      7.78142784    -15.41801791
  H     12.87021917     11.19391255    -12.84372075
  H     18.15054504      9.15105242    -10.71769403
  O     17.63199520      5.85751550     -9.76483276
  H     14.13183068     10.33590295    -13.06827476
  H     15.25742085     12.23800163    -17.12207768
  O     14.61704711      6.79688972    -15.89026972
  H     18.95201665     10.47184646    -14.49885067
  H     15.01021256     13.41570982    -18.07790238
  O     16.71299238     12.04808636    -10.39155961
  H     19.98656981     11.61005605    -14.36732119
  H     12.84537362      8.75422298    -12.57456053
  O     17.47704047      8.46895748    -10.57673582
  H     16.08849861      5.22919276    -10.28543016
  H     12.30942096      7.71639893    -13.57864628
  O     15.30440659     13.20503340    -17.19532164
  H     14.98918742      4.14306909    -10.21881814
  H     11.58473901     13.16557260    -13.95178811
  O     12.67896271      7.80762448    -12.69118768
  H     17.89340405      8.81016232    -16.09632477
  H     13.09595422     12.95440114    -14.20724708
  O     12.25460313     12.49275220    -14.03375664
  H     18.08025273      8.49916713    -14.60958257
  H     15.53781526      9.74621499    -17.11776282
  O     15.06565231     10.48805302    -16.72297569
  H     18.40442195     11.21722880    -10.84080602
  H     15.23079588     10.41823539    -15.76947100
          69
 Energy    -248.34610727391856     
  O     15.69745505      9.22701983    -16.49128870
  H     15.01483873      8.59763569    -16.23852101
  H     17.01785052      2.49235285    -15.98194356
  O     13.91412207      2.86090729    -15.78835924
  H     16.45513189      8.70895883    -16.79472262
  H     21.32713967      4.20832878    -15.60808711
  O     18.13051722      6.03448224    -11.65989686
  H     14.78267982      2.52918902    -16.08397983
  H     20.06498857      4.80243430    -16.27864189
  O     19.22688706      5.31247059    -17.72691649
  H     13.27455273      2.18071909    -15.98059437
  H     18.68235981      8.24096642    -16.30282188
  O     16.67530035      4.28423001    -18.63392904
  H     17.81216980      5.14285415    -11.85638984
  H     17.71660971      7.02758507    -16.28715896
  O     13.61247617      6.35837808    -10.23526854
  H     17.53934451      6.64543499    -12.12856880
  H     16.05417690      5.59622282    -15.84820549
  O     14.47069369      3.92361694    -13.23905968
  H     18.43760154      4.87735087    -18.06828747
  H     17.25785028      4.95161708    -15.10976667
  O     16.43386965      7.53186788    -13.19951439
  H     18.96595335      6.23452960    -17.59096677
  H     13.54304735      7.19104901    -14.71114043
  O     18.04677202      3.31808272    -14.74045891
  H     15.95178714      4.73053467    -18.16545025
  H     12.70621126      7.97536269    -15.74434603
  O     13.61121951      3.51130019    -10.59151742
  H     16.47043582      4.34210179    -19.56469632
  H     16.09023987      2.27499937     -8.91702861
  O     19.67979717      9.07721539    -14.97657601
  H     13.21968751      6.91974267     -9.57204879
  H     15.15790313      3.05787944     -9.87429759
  O     16.37637433      2.23160500    -16.65932538
  H     14.54842982      6.24814678     -9.98678852
  H     14.25541618      4.48325608    -16.61938440
  O     20.45030674      4.53522163    -15.42443939
  H     14.25449052      4.86582337    -13.25879227
  H     14.14667909      6.03929805    -16.64861312
  O     18.10199906      7.70683943    -16.86184065
  H     14.22867714      3.54187168    -14.09039195
  H     19.51007657      6.47389660    -12.88862241
  O     16.81725655      5.79086162    -15.29086356
  H     16.64179464      8.44291535    -13.45171194
  H     20.21078614      5.97805663    -14.18425310
  O     13.47956227      7.42305904    -15.65192136
  H     16.62241420      6.95769268    -13.95727691
  H     16.85255495      3.17726449    -11.29848795
  O     16.08234584      2.95520918     -9.58452038
  H     17.84605955      3.26827228    -13.79561615
  H     16.14425901      3.65136008    -12.58745579
  O     14.64168877      5.28562300    -16.99688009
  H     18.95708591      3.61813537    -14.85771302
  H     16.93871271      6.03972973    -10.13926075
  O     20.05143701      6.75533679    -13.63676822
  H     13.43873639      4.43652412    -10.37617904
  H     16.24525146      4.87548364     -9.41417881
  O     17.01640912      3.48832957    -12.19644233
  H     13.79162494      3.50508698    -11.54180397
  H     14.78976520      7.03768762    -13.02860000
  O     16.19770594      5.82860496     -9.55832497
  H     20.49815245      9.56582197    -14.99007277
  H     13.63220157      6.62011938    -12.09195333
  O     13.89146834      6.66560657    -13.02002985
  H     19.84054348      8.27574723    -14.44638671
  H     16.56880067      9.89850622    -14.98679665
  O     17.08349479      9.98783173    -14.17099949
  H     16.57015880      2.77567122    -17.43184617
  H     18.00449469      9.83275291    -14.41490439
          69
 Energy    -248.34604656728303     
  O     13.32561900     14.93241615    -11.04918050
  H     13.08618133     13.99655972    -10.92249270
  H     12.73060044     12.21713158    -15.39307255
  O     15.74579449     10.47281038    -18.19085444
  H     12.72127672     15.44317320    -10.51646513
  H     14.74620163     13.35028698    -16.79176403
  O     14.75252098      9.23532523    -11.88707474
  H     15.66123106     11.39675740    -17.89319978
  H     16.20153654     12.98712092    -16.41063481
  O     18.20880031     15.04669786    -11.41648488
  H     15.95012481     10.49923946    -19.12141912
  H     13.41338572     14.43040569    -15.21466411
  O     13.99055435      9.36710353    -16.32252935
  H     15.22907254      9.92280285    -11.40613370
  H     12.54450778     14.58424995    -16.48454816
  O     13.69740617      6.62686191    -11.92595988
  H     13.87151356      9.58854228    -12.07930009
  H     18.17885016     12.38610097    -13.09000629
  O     14.85842028      5.86429815    -14.26072811
  H     18.36864222     14.11064242    -11.63448859
  H     17.63883760     11.96459942    -11.70670794
  O     14.93455448     12.34784211    -13.49183545
  H     19.03320595     15.39843690    -11.09116475
  H     13.80313322     11.95148226    -10.51990622
  O     12.18598342     10.21537925    -12.48464082
  H     14.51163600      9.67394499    -17.07463345
  H     12.50210479     11.59327099    -11.24977941
  O     15.80066379      8.52091847    -14.38138370
  H     14.62447568      9.09675679    -15.64075955
  H     17.05930950     10.11852531    -16.77501699
  O     17.31524355     12.59173054    -14.83179120
  H     14.14845856      7.45923564    -11.72727571
  H     17.06765833      9.49996985    -15.36301603
  O     12.74631245     11.37491281    -14.92347080
  H     12.79143947      6.87245539    -12.15066720
  H     12.90886780      7.89757993    -15.84737794
  O     15.56020380     12.96016028    -17.13015369
  H     15.23048560      4.98708277    -14.24139563
  H     13.29553300      6.59423644    -15.12648815
  O     13.10411246     13.97104681    -16.01452613
  H     14.47477772      6.02947132    -13.38017121
  H     17.17442542     14.48557148    -14.32408215
  O     18.36509548     12.42378726    -12.14381555
  H     14.22991524     11.88399645    -13.95955421
  H     17.32830216     15.34492643    -13.05661100
  O     12.90872776     12.26617317    -10.68811457
  H     14.67904323     13.27994106    -13.47206658
  H     15.47586530     11.87524512    -11.85849780
  O     17.54312926     10.11232849    -15.94092242
  H     11.74249576      9.36721697    -12.61195099
  H     15.90065113     12.47279580    -10.48703466
  O     12.53971790      7.14425704    -15.36854117
  H     12.24693041     10.63732610    -13.35411512
  H     13.83743027     15.12784425    -12.80670387
  O     16.84413915     15.28138469    -13.88985086
  H     15.51511810      8.82106147    -13.50769441
  H     15.08254041     15.26738005    -13.76625811
  O     15.79451065     11.63916434    -10.97096778
  H     15.63438555      7.56989090    -14.40928744
  H     10.36799768      7.23347795    -13.04524799
  O     14.14437158     15.02117109    -13.71599959
  H     17.54173165     11.74099805    -15.23922066
  H     11.63075650      7.46704003    -13.90920173
  O     11.23356248      7.63318783    -13.03522124
  H     16.48048979     12.45429510    -14.35568989
  H     16.65579851     14.62462309    -10.40202575
  O     15.91252536     14.17966173     -9.97534948
  H     13.11488320     10.70104632    -15.51380237
  H     15.10816362     14.60160242    -10.29809122
          69
 Energy    -248.34582630049817     
  O     -0.84478121      4.83279221      3.80194299
  H     -1.23910443      3.96433565      3.64067364
  H     -3.54355841      4.66627855     -0.54305828
  O     -2.34920691     -1.64326195      2.04452562
  H     -1.36081347      5.44684544      3.26713931
  H     -3.14405375      0.00306784     -1.59267167
  O     -3.02999776      4.37127696     -2.36218668
  H     -1.69285402     -1.15471588      2.55384485
  H     -4.00998963     -0.83746730     -0.62844369
  O     -3.67827622      1.93398747      0.93358197
  H     -1.90399359     -1.95813782      1.24719579
  H      0.91490888      4.59671669      3.38335281
  O      1.96283366     -0.19088620      2.19406428
  H     -2.11822679      4.70825228     -2.42719457
  H      2.07234274      5.17439391      2.51783856
  O      1.82973002      3.64803116     -2.70273815
  H     -3.50894637      4.72814517     -3.10529831
  H     -0.91998109      6.25048619      0.83707787
  O      0.09655788      3.23003142      1.00862388
  H     -4.16952613      1.11517803      1.07095122
  H     -0.13943818      4.96115426      0.49337985
  O     -0.45256924     -0.08973459      3.53077044
  H     -3.22528300      1.84262439      0.08225460
  H     -2.48816218      2.15263940      2.26808097
  O     -4.71493706     -0.64779409      1.17688482
  H      1.62213070     -0.38025950      1.29934880
  H     -1.36318096      1.48516226      3.12417350
  O      0.92387584     -0.66799469     -0.21504918
  H      2.70718499     -0.77157017      2.33216544
  H     -2.73858932      2.58644269     -1.95012411
  O      3.21608196      2.39048409      1.74534740
  H      2.35782227      3.82547973     -1.90204083
  H     -1.52561026      1.70645187     -1.54603498
  O     -3.73710249      4.69939077      0.40153649
  H      2.44571691      3.57631293     -3.42640658
  H      1.47075281      6.36824436      0.77726201
  O     -3.42066484     -0.90173700     -1.38961122
  H      0.85139965      3.46226294      1.56371794
  H      2.62866012      7.35026634      1.07587230
  O      1.78462885      4.39404318      3.00717019
  H     -0.59814531      2.93238271      1.61063470
  H     -2.95212911      7.17054551      2.18592504
  O     -0.18608642      5.91209294      0.30920288
  H     -0.28536715     -0.26417446      4.45463947
  H     -2.91586238      5.82629629      1.42226931
  O     -1.75323810      2.33069195      2.87166698
  H      0.41015290     -0.09959457      3.08586919
  H      0.23436991      2.28886498     -0.47055571
  O     -2.49256405      1.72854509     -1.58293197
  H     -3.90254634     -1.02730904      1.55951868
  H      0.79658792      2.31815326     -1.91134506
  O      2.38841490      6.42777168      1.09398542
  H     -5.44944183     -1.10418725      1.57719915
  H     -2.05369113     -1.86730806     -0.90484061
  O     -2.37643023      6.45167943      1.94040275
  H      0.72084572      0.15126589     -0.68716011
  H     -1.31074663     -3.22302518     -0.92805914
  O      0.25405871      1.79784480     -1.30782494
  H      0.18555653     -1.26964895     -0.36609193
  H      3.06718129      4.95381905      0.03573643
  O     -1.31553436     -2.36563656     -0.51080327
  H      2.76679196      1.55343118      1.90084350
  H      3.28756940      3.44083352      0.24865881
  O      3.19769679      4.12256241     -0.43324915
  H      2.85664888      3.01740374      2.38971818
  H      0.29641511      4.76371921     -2.59435660
  O     -0.49024956      5.28692564     -2.39984603
  H     -3.85681171      3.78230995      0.67940383
  H     -0.36234345      5.64019094     -1.50878066
          69
 Energy    -248.34569228381076     
  O     11.38796965     11.65244599     -9.24000858
  H     10.84165223     11.88605133    -10.00209499
  H      9.92565802     12.81607060    -14.98171373
  O     11.65910976     10.49140511    -16.17476571
  H     12.12893539     12.27084335     -9.21700539
  H     17.71645653     12.45751816    -14.82012900
  O     12.49621105      9.24913195     -9.78447447
  H     12.24779632     10.63849712    -16.92618347
  H     16.52063048     13.01142771    -15.58850956
  O     17.91287313     12.73177046    -12.83816718
  H     11.40053226     11.36729613    -15.85321260
  H     12.71693528     13.00755049    -12.94154636
  O     10.08943442     11.90482972    -11.74858561
  H     12.43527678      8.63149002     -9.06085726
  H     11.30425585     13.14263775    -12.33344585
  O     11.17287239      9.36997276    -12.27754507
  H     12.05580480     10.06991584     -9.49552959
  H     13.21878952     12.91107172    -17.39837145
  O     13.15257507      9.36433707    -14.16260860
  H     17.35526974     13.52302490    -12.79730697
  H     12.18402839     13.60548240    -16.48365699
  O     13.94796173     14.88858418    -11.21381332
  H     18.75366737     12.97512225    -12.45586792
  H     13.69870734     11.00124896    -13.62788744
  O      9.47642799      9.58778702    -14.56349027
  H      9.39228171     12.04440558    -12.39999678
  H     14.31367473     11.57591470    -12.33929021
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  H     10.46977367     11.03559747    -11.94760525
  H     14.40135675     10.88344512    -17.59712982
  O     15.78835511     10.41528158    -16.69617229
  H     11.90003509      9.31312252    -12.91647451
  H     13.74370542     10.98253069    -18.99402341
  O     10.82643235     13.02628135    -15.25486704
  H     11.55936978      9.17074996    -11.41706790
  H     14.01084044     10.21788733    -10.40711838
  O     17.32925781     12.49063180    -15.70043647
  H     14.02590657      9.00557663    -14.36084264
  H     14.50729548     11.64622676    -10.09339195
  O     11.99896436     13.64110782    -12.78520726
  H     12.72057129      9.65573217    -14.97873147
  H     17.18994157     10.99511849    -12.55656284
  O     13.04108739     13.72595193    -16.91170619
  H     13.21412965     14.64049411    -11.79397264
  H     16.14112556     10.29723789    -11.67401041
  O     14.00321054     11.82150473    -13.21946639
  H     14.73039142     14.96779240    -11.77026926
  H     16.29279581      7.81134532    -14.44753073
  O     13.59230789     11.15437947    -18.06878639
  H     10.15729336      9.72115172    -15.23589695
  H     16.19810688      9.17489068    -13.72495224
  O     14.67308611     10.87608917    -10.65289655
  H      9.94392843      9.33545845    -13.75638474
  H      7.49149686     12.09995534    -14.24656891
  O     16.77916958     10.13957278    -12.38217629
  H     14.30296608     13.85911121    -15.66842872
  H      8.69549648     11.12670752    -14.27179949
  O     15.83087745      8.64547288    -14.45513149
  H     14.66118978     13.01413244    -14.40614141
  H     16.52760215     15.89622082    -13.19903771
  O      8.42564394     12.04049907    -14.06656248
  H     15.83070110      9.75384076    -15.99766514
  H     15.75195196     14.66942305    -13.73298661
  O     16.23993989     15.01714518    -12.96381363
  H     16.41051387     11.10955267    -16.43514724
  H     14.13768962     13.54386447     -8.37204501
  O     13.84712401     13.13054423     -9.18062459
  H     11.26537009     13.36308616    -14.46099863
  H     13.88816633     13.81218843     -9.87497436
          69
 Energy    -248.34556816002902     
  O     17.66238132      9.91763982    -15.24994711
  H     18.17060739      9.57986580    -14.50508262
  H     14.86291199      3.36047097    -17.25587481
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  H     16.72579211      9.79520775    -15.03015434
  H     18.77677004      3.49095081    -17.06152609
  O     17.38740503      4.35691864    -12.13294081
  H     13.42134066      5.04619424    -17.39098346
  H     17.67796410      2.98990573    -16.10645508
  O     18.80677169      4.56929308    -18.65623382
  H     13.79839852      6.52633174    -17.18505939
  H     18.78842631      7.50566207    -17.28854906
  O     16.23517103      5.31970795    -19.04824595
  H     17.23504449      5.28653656    -12.36934309
  H     19.16891485      6.01581586    -17.57336291
  O     14.00150855      6.38041558    -10.15674175
  H     18.16616892      4.07728724    -12.62724341
  H     17.69050046      6.15447197    -15.93066011
  O     13.35615850      5.55130467    -14.20024934
  H     19.19896676      4.30462903    -19.48392209
  H     16.85196337      6.31793201    -14.62764649
  O     16.89665129      6.90449068    -12.92283483
  H     17.88336946      4.81449995    -18.84721890
  H     14.83611374      8.73115359    -15.64580494
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  H     15.93812910      6.12487440    -18.61073227
  H     14.63018705      8.83792656    -14.11635463
  O     12.82754878      4.24144546    -11.73075956
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  H     19.29200309      3.52602148    -14.66073687
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  H     14.77980089      5.83341418     -9.95587671
  H     20.34293623      3.21541648    -13.57395505
  O     14.33551316      3.49253947    -18.06362054
  H     13.67818661      6.71233647     -9.32265110
  H     14.28182517      3.46716338    -12.60502844
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  H     13.19864775      5.63812979    -15.15043585
  H     15.81541502      3.64258993    -12.81429544
  O     19.17330000      6.70879121    -16.90049511
  H     14.00486895      4.84850899    -14.07373249
  H     16.65340036      4.53137537    -10.48942093
  O     16.83176072      5.97013139    -15.52847810
  H     16.01326057      7.27695001    -12.80159660
  H     16.18039617      3.91035474     -9.16721965
  O     14.99752664      9.29478354    -14.88372969
  H     17.55423890      7.60907557    -12.87742983
  H     16.11991943      8.13968803    -17.57876644
  O     19.61936952      3.80034171    -13.78606313
  H     16.20333716      4.31388287    -15.76292302
  H     15.83987120      6.95564798    -16.62963060
  O     14.99837885      3.35846434    -13.24516513
  H     15.53307267      3.17964549    -14.94715792
  H     13.87273301      6.95228494    -13.25214716
  O     16.12867756      4.70571277     -9.69251274
  H     13.12473893      4.92035146    -11.11343065
  H     14.10994315      7.35811383    -11.77758626
  O     15.43179769      7.51909878    -17.30821407
  H     12.64475434      4.71602571    -12.55270088
  H     19.63191431      9.08086265    -12.45687958
  O     14.25227197      7.64530032    -12.68752754
  H     19.99335622      6.64354496    -15.26168023
  H     19.53574610      7.93603474    -13.49768030
  O     19.04278091      8.66722645    -13.08152153
  H     20.05003354      5.64838531    -14.08245031
  H     18.00443625      9.72236119    -18.36505183
  O     17.79975578      9.01630491    -17.75865347
  H     13.93283837      2.65441996    -18.27377384
  H     17.79651266      9.40413998    -16.86225320
          69
 Energy    -248.34554919712969     
  O     -4.04472655     -0.09393197      3.62683100
  H     -3.75296626      0.80996856      3.80436824
  H     -6.20245574     -4.10771902      1.73101773
  O     -0.25311885      4.27161616      1.12984602
  H     -3.25395656     -0.57022301      3.33709889
  H     -3.72936339      1.38716156      0.09709988
  O     -1.65341403     -1.07632304      2.63488056
  H     -1.21736267      4.26203916      1.22640492
  H     -3.35673398      1.82053669     -1.34805610
  O     -4.23424128     -0.99778275     -2.45331617
  H     -0.00903554      5.18535178      1.00616031
  H     -5.97992290      5.49250215      0.27356994
  O     -1.96883738     -2.31505495     -1.33152441
  H     -1.44323973     -0.73795411      1.75151225
  H     -5.86892204      4.01842585     -0.18266525
  O     -4.96558119      0.78146481      1.17808350
  H     -1.16726143     -0.51009285      3.24656613
  H      0.38932968      2.58152114      1.40545038
  O     -6.54004517      2.77593274      2.38559199
  H     -3.43591765     -1.44842290     -2.15330558
  H      0.19028611      1.09140861      1.00005756
  O     -8.10014183      0.55030331     -0.77445061
  H     -4.90821907     -1.17340801     -1.78227624
  H     -5.46038495      2.96648303      5.70760680
  O     -2.86844062      2.46836001      3.83199234
  H     -2.35274224     -2.64564291     -0.49853372
  H     -4.39925898      3.06223606      4.59752704
  O     -4.32614933      1.64779563     -2.92503002
  H     -1.47846617     -3.03861699     -1.71274402
  H     -3.84147499      4.25000783      1.15672297
  O     -6.06023028     -1.23229112     -0.34857404
  H     -4.61501719      0.36897145      1.97808855
  H     -2.90302037      3.12904306      0.68166558
  O     -5.77171193     -3.27680244      1.55105703
  H     -5.57119285      1.46880339      1.48483103
  H     -7.15719507     -0.75316695      2.96136509
  O     -3.01873804      1.76469496     -0.44723200
  H     -6.18461327      2.96895989      3.26507043
  H     -5.75152827     -0.93617162      3.60539429
  O     -5.59814136      4.65083195      0.50824971
  H     -6.32325304      3.52527748      1.81933103
  H      0.02178362      1.30551856      3.22312711
  O      0.59946418      1.67038665      1.65534082
  H     -7.44830412     -0.16760832     -0.70651098
  H      0.25312627      1.07932540      4.73800734
  O     -5.32162242      3.27151143      4.81390149
  H     -8.80347783      0.22841067     -1.33343537
  H     -7.76550806      1.38686460      2.33572286
  O     -2.99565082      3.82893660      1.34735025
  H     -2.87015903      2.94044821      2.98791239
  H     -8.31914466      0.52616104      1.19939516
  O     -6.54003695     -1.41071900      3.31413870
  H     -1.99257752      2.08160640      3.95369773
  H     -2.54842223     -2.54013484      1.75838091
  O     -0.41668213      1.06233117      4.06021294
  H     -4.08879974      1.84526569     -3.82664537
  H     -3.90123039     -3.15495194      1.29504421
  O     -8.19740444      0.54027516      2.15451031
  H     -4.30269944      0.67737282     -2.83222005
  H     -1.68853862      0.61687555     -0.13190255
  O     -2.96899578     -3.06281591      1.06469411
  H     -6.04213162     -2.02999150      0.19298418
  H     -1.20661735     -0.81116820     -0.47869224
  O     -1.02936527     -0.05607181      0.09427942
  H     -5.67074436     -0.52821660      0.19482647
  H     -7.01675313      2.09393313     -1.12241735
  O     -6.37737884      2.79262675     -1.30597094
  H     -6.07521284     -2.64917428      2.23339221
  H     -5.73267994      2.41916671     -1.91945291
          69
 Energy    -248.34541528807398     
  O     12.91137204     10.24955604    -15.44585039
  H     12.82638623      9.85789041    -14.55727935
  H     16.58790706      5.00563974    -16.57098251
  O     16.66814768      5.63041421    -13.56555060
  H     12.08412424     10.68265692    -15.63745184
  H     16.33475127     10.95013395    -16.87966892
  O     20.30908858      8.43893501    -13.45733976
  H     16.64960924      6.51956533    -13.94917551
  H     17.75107092     10.70634669    -17.44983965
  O     19.51271078     10.70095131    -16.81656762
  H     16.52494601      5.02947815    -14.30533733
  H     17.35996326      8.09117829    -15.35649711
  O     13.59374174      5.57680586    -15.47966412
  H     21.12082018      8.02188425    -13.17733087
  H     15.79216276      8.07701616    -15.40779018
  O     16.87502871      8.71031705     -9.09784049
  H     19.73544918      8.46415102    -12.67410567
  H     12.56099691      8.11501292    -13.06689501
  O     14.72705764      6.29673615    -11.68483694
  H     20.22750655     11.23744501    -17.14808162
  H     13.40821188      9.17672371    -12.32671668
  O     16.65093950     10.15053777    -13.08215628
  H     19.39754635     10.93273066    -15.87751923
  H     12.77665164      5.95045575    -14.00971495
  O     17.40884594      6.25436153    -17.50055558
  H     14.37895299      5.04592427    -15.65185243
  H     11.54628610      5.74436120    -13.09238377
  O     16.47222783      6.06856188     -9.47897854
  H     13.76650981      6.43384173    -15.89624114
  H     19.71512749     10.23579910    -13.84880344
  O     19.08576252      8.01378148    -16.02707898
  H     16.96172829      8.95082860     -8.17995683
  H     18.33691593     10.91591483    -13.73733601
  O     16.13494941      4.34740874    -16.01456088
  H     16.72378896      7.74705743     -9.12570382
  H     18.52708136      6.78048425    -11.41625528
  O     16.81398200     10.58225324    -17.63635343
  H     13.86347571      6.17950400    -12.09786283
  H     17.94633321      5.59943797    -12.19235762
  O     16.55747661      8.09449291    -14.81869721
  H     15.38506409      5.98785061    -12.32408351
  H     18.08102946      8.75003329    -10.54596413
  O     12.76351945      9.05876818    -13.03415481
  H     15.98801227      9.93045036    -12.41339234
  H     17.86322564      9.19782341    -11.99710708
  O     12.36022753      6.23336906    -13.17507971
  H     16.60981053      9.43756877    -13.74308590
  H     16.24632400      9.17893047    -18.39912174
  O     19.20921328     11.00593077    -14.13854073
  H     18.12399907      6.74210578    -17.07263905
  H     15.72643196      8.48454870    -19.68367451
  O     18.47728124      5.81696403    -11.41364215
  H     16.90814976      6.90679341    -18.00555094
  H     15.47235869      9.09178766    -10.38509047
  O     18.46755509      8.70228457    -11.42937967
  H     15.72465632      6.02657216    -10.08981412
  H     14.89739929      8.08320615    -11.39471236
  O     15.88807025      8.34358406    -18.75523440
  H     17.23926999      5.81180109    -10.01158874
  H     15.82610130     11.20622617    -14.53138743
  O     14.95149748      9.03091985    -11.19388935
  H     19.27162662      8.87181690    -16.43081131
  H     14.55562994     11.16124133    -15.39555572
  O     15.46779348     11.47835620    -15.38265384
  H     19.53988580      8.01474046    -15.17502304
  H     13.79717083      8.83974831    -16.25719467
  O     14.30630227      8.05126721    -16.48379112
  H     16.33997944      3.49246425    -16.38350164
  H     14.71905356      8.17976952    -17.34745835
          69
 Energy    -248.34527807785037     
  O     12.16917183     10.93201930    -14.84257962
  H     12.45451286     10.19269821    -15.39932569
  H     16.48702262     10.90278042    -16.73112807
  O     15.98971360      6.68890289    -13.04986265
  H     12.83580337     11.61905900    -14.95026964
  H     14.63375039      8.91149157    -15.05159867
  O     17.73359399     10.59051824    -11.84912999
  H     16.84339199      6.98089221    -12.70337550
  H     15.52296195      8.16586891    -14.00163745
  O     17.63626522      9.70816963    -15.84555819
  H     15.35157207      6.85466360    -12.34292901
  H     10.38364510     10.01507380    -12.43467308
  O     12.65866326      6.17678125    -15.35406560
  H     17.61595798     10.55272399    -10.88720702
  H     11.58409592     10.24383794    -13.38524265
  O     14.60975069     11.08214728     -8.61426411
  H     16.90629283     10.92098693    -12.22440679
  H     17.41301381      7.37335540    -10.25154517
  O     14.38838116      7.49933058    -10.90843993
  H     16.87288583      9.45600938    -15.30181642
  H     17.22873718      6.61817751     -8.91600515
  O     15.30086438     11.28791275    -12.98009161
  H     18.31171427     10.04156364    -15.24644126
  H     12.95328911      7.09855881    -12.10922547
  O     16.66103860      7.60943900    -17.50297712
  H     12.00225088      5.50483502    -15.51693384
  H     11.90354658      8.00560519    -12.77361751
  O     15.50516317      5.84090018    -15.68068993
  H     12.53903963      6.46591817    -14.43130312
  H     18.94560517     10.66817913    -13.12686762
  O     20.23466068      7.85862825    -13.67589849
  H     14.16515431     10.79880575     -9.42886894
  H     20.07955965     11.37363152    -13.90665696
  O     15.70971695     11.34943349    -17.09265466
  H     14.06714118     11.77333414     -8.24373570
  H     17.99922128      8.75635072    -11.82960758
  O     15.36393915      9.01639118    -14.42900315
  H     15.11378077      7.38673806    -10.28225023
  H     18.98086792      7.68587822    -12.37393327
  O     11.30264342      9.79819299    -12.56521824
  H     14.16965746      8.44190154    -10.90960176
  H     16.32423505     10.55168536     -8.92644796
  O     16.84358817      7.29494369     -9.46741237
  H     15.01906995     11.95644763    -13.61420756
  H     17.05859538      9.21289520     -9.12463745
  O     12.32196232      7.13808458    -12.83745564
  H     15.29123413     10.44759131    -13.46933038
  H     14.59141615      8.94998574    -19.50048379
  O     19.53437416     10.59103095    -13.89770159
  H     17.17027048      8.24184336    -16.98130669
  H     15.41392156      8.51687513    -18.26113497
  O     18.20673340      7.81141188    -11.80913769
  H     16.31212024      6.94644568    -16.88805763
  H     12.76273862     10.11368670    -11.48559696
  O     17.15888644     10.16549681     -9.22875518
  H     14.54124205      5.84215935    -15.65806003
  H     14.20122472     10.66217604    -11.68364403
  O     14.68436723      9.09035412    -18.56282216
  H     15.77187285      5.96168154    -14.75970757
  H     14.30593430     13.66391484    -15.47063400
  O     13.62074463     10.21113400    -11.05393132
  H     20.21854489      7.46080966    -14.54466126
  H     14.84004263     12.27835181    -15.89806645
  O     14.36422967     12.75369007    -15.19326200
  H     20.11743823      8.80964341    -13.81859288
  H     12.95831671      7.85183237    -16.05654623
  O     13.21103138      8.76959695    -16.22028020
  H     15.30204927     10.70913534    -17.68692512
  H     13.62203721      8.82721606    -17.09255621
          69
 Energy    -248.34513992542264     
  O     18.95444570      4.97606898    -10.63895013
  H     18.28507670      4.74750344    -11.30051396
  H     16.69538871      8.26491433     -8.68432495
  O     18.74703942      5.79872210    -14.35359763
  H     19.01286089      5.94578210    -10.65622273
  H     21.11086583     10.88609365     -9.73230547
  O     18.51223414      8.40379332    -13.30260917
  H     18.62973318      6.73603053    -14.14417508
  H     21.48398231     10.95219966     -8.24207745
  O     22.63482279      7.52956360    -12.48552221
  H     18.05782471      5.33718778    -13.86023515
  H     16.56828369     10.14821022    -11.83595339
  O     16.87270973      4.77381384    -12.43309859
  H     17.69063430      8.90438515    -13.25204560
  H     15.58597925     10.42455605    -13.00060964
  O     20.92459600      9.75668468    -13.02761940
  H     18.71391539      8.13041824    -12.39339019
  H     20.28554261      5.52003606    -13.44224101
  O     20.72715749      5.67000063     -8.43886495
  H     22.06111608      6.75327938    -12.62317696
  H     20.49164253      5.07226464    -11.99565659
  O     14.76170621      3.55101814     -8.93610817
  H     23.47200600      7.32731002    -12.89406011
  H     12.96086081      5.52274514    -10.80208936
  O     21.76138628      7.82356087     -9.84707353
  H     16.20992913      4.08941113    -12.28526051
  H     13.87402815      6.05916258    -11.92143050
  O     19.09955132      7.71843557    -10.67679925
  H     16.42357493      5.62186878    -12.30053291
  H     14.49025404      6.73067708     -8.92865410
  O     18.77333306      6.71314786     -6.88248381
  H     21.57511309      9.05509374    -12.90911730
  H     15.97873645      6.30902434     -8.89648124
  O     17.55336207      8.69177593     -8.54213449
  H     20.10529487      9.31884521    -13.29906888
  H     15.44110295      7.14990042    -10.90129299
  O     21.61655026     10.44005622     -9.03603075
  H     21.22154647      6.38175114     -8.87258995
  H     15.61597226      8.00295962    -12.18525861
  O     16.12483672      9.74553248    -12.60407866
  H     20.28853533      5.18338847     -9.14537105
  H     20.27198202     12.40748115    -11.51924226
  O     20.96249649      5.42749173    -12.75411054
  H     15.63412422      3.88965614     -8.69638388
  H     20.45690369     10.90702789    -11.84034644
  O     13.21076963      5.38343985    -11.72391825
  H     14.81992740      3.26686972     -9.85714978
  H     17.76984376      4.87716179     -9.21314624
  O     15.38635656      7.05249112     -9.08546491
  H     22.20397062      7.76935248    -10.70368135
  H     17.64538632      5.47337756     -7.79157182
  O     15.43877716      7.11008304    -11.86830828
  H     21.82346794      8.73414057     -9.52450151
  H     12.27269539      5.47019512     -8.25269886
  O     20.16068662     11.53316221    -11.15425909
  H     18.55286242      8.10713967     -9.98344655
  H     13.55813622      4.81705514     -8.81959728
  O     17.15996366      4.99047819     -8.47169991
  H     20.02394024      7.82929941    -10.41516877
  H     17.51177370     10.19578618     -9.69751129
  O     12.98876456      5.60745882     -8.86640540
  H     19.53540116      6.36043550     -7.37690337
  H     18.39310850     11.01892682    -10.67109012
  O     17.48333716     10.75765750    -10.48217810
  H     18.99838989      6.66186111     -5.95734345
  H     14.28675669      2.38951219    -12.25623803
  O     14.69429347      3.09970695    -11.76745720
  H     18.01102946      8.15601350     -7.88219728
  H     14.09175019      3.86353185    -11.82305882
          69
 Energy    -248.34505111191220     
  O      4.16168416      0.56173510     -1.04313041
  H      4.05792035      1.34626656     -0.48924801
  H      1.04150608     -1.47337543      6.72543104
  O      5.66553098     -0.03760583      6.25560346
  H      3.31828679      0.09293077     -1.01206802
  H      0.53783388     -1.06499808      4.69284412
  O      8.38110776      2.33692932      4.16285545
  H      6.46155027     -0.23126360      5.73719671
  H     -0.79294015     -1.83894051      4.85890312
  O      2.59230469      4.54799061      2.56959590
  H      5.24777470     -0.88492721      6.45041337
  H      6.89223911      2.24265492      2.99332192
  O      5.89746689     -1.33088035     -0.17231575
  H      9.15338121      2.88887143      4.24873658
  H      5.43071652      2.60591591      3.32043402
  O      3.82585845      2.54482047      0.96343248
  H      7.80764263      2.53466242      4.92557985
  H      4.37147616     -3.19308261      6.97195540
  O      7.84875868     -0.45095664      4.62933213
  H      1.83619093      4.00033907      2.85438738
  H      3.31154293     -2.08719735      6.76486153
  O      6.01016535     -0.64410895      2.53302418
  H      2.24899117      5.41730899      2.38378611
  H      2.81888662      0.56447168      4.83299445
  O      4.08761055     -2.32021818      3.58293387
  H      5.34223852     -0.61879009     -0.53751927
  H      4.16578866      0.70631581      5.62928145
  O      1.82146952      1.43996912      7.65150663
  H      6.54522182     -1.54733204     -0.83719525
  H      1.55902824      0.23736942      0.76019325
  O      1.83908443     -1.05214624     -0.51838155
  H      3.42143089      3.32480533      1.36411879
  H      2.40965873      1.41498175      1.30845714
  O      1.80130956     -1.39968401      7.31675355
  H      4.65092090      2.39278938      1.44539528
  H      3.88019808      2.72376988      4.79240590
  O     -0.19618629     -1.24598569      5.30748991
  H      7.33241243     -0.66635163      3.83989191
  H      3.78505532      3.99882705      3.90814928
  O      5.98604503      2.13968085      2.67803397
  H      8.21972068      0.42434086      4.46379412
  H      4.40860003     -2.38541856      0.44772448
  O      4.16276537     -2.42983579      6.43899332
  H      6.07543229     -0.87725776      1.59851095
  H      3.67585186     -2.73608301      1.75729280
  O      3.34116110      1.15444335      5.39069369
  H      5.92482063      0.31782508      2.58544466
  H      0.34588831      1.68803103      6.39930685
  O      1.62843784      0.87215259      1.48415527
  H      4.80457248     -1.73108934      3.30001470
  H     -0.39473936      0.67158719      5.53057362
  O      4.37307777      3.50338550      4.48990805
  H      4.18257022     -2.46326776      4.53204852
  H      2.65559937     -1.26200247      3.62686359
  O      3.56181913     -2.68806121      0.80016439
  H      2.40319645      1.41621995      6.87192977
  H      1.82960277     -0.12368489      2.92984958
  O     -0.21412393      1.61505782      5.61781446
  H      2.20533590      2.06507034      8.26109666
  H      0.30186746      2.47225621      4.08039939
  O      1.93619432     -0.62788995      3.74779144
  H      1.27439017     -1.55051808     -1.10240936
  H      0.75918154      2.13207362      2.63501802
  O      0.63076798      2.85834231      3.25709407
  H      2.38922724     -1.69638754     -0.03710268
  H      5.79915384      3.14816972      5.70059349
  O      6.54181732      2.71469677      6.14258002
  H      1.80030138     -0.48196718      7.61535518
  H      6.24051162      1.82615988      6.37171392
          69
 Energy    -248.34472169621449     
  O     -4.27691993      3.55329469      4.34786919
  H     -3.39637818      3.65775140      4.75003417
  H     -4.31639022      5.83556401      1.04763362
  O     -3.64525008     -1.71598456     -0.17359024
  H     -4.90100881      3.48810841      5.06609745
  H     -1.92940411      0.11171505     -2.76723653
  O     -1.92377499      5.76514583     -0.94361818
  H     -4.06463145     -0.95052586     -0.60690391
  H     -2.28612092      0.48563950     -4.22589661
  O     -4.30554243      3.02625745     -0.31887968
  H     -4.23866962     -2.45381516     -0.28431370
  H     -0.36424186      2.28975504      3.44776280
  O      1.85619149      4.21905541      0.84950121
  H     -1.90261062      4.91456492     -1.40150932
  H     -0.33649854      1.09996477      4.45734494
  O     -1.20935543      3.01055010      2.05046750
  H     -2.83099931      5.87317238     -0.63576137
  H     -1.01067335      4.66233042      2.63409170
  O     -1.15326714     -0.48011942      4.47930858
  H     -3.48370253      3.03587209     -0.83313120
  H     -0.50345389      6.06772547      2.24836380
  O     -4.60756912      0.45438608     -1.49299862
  H     -4.56040445      3.95012879     -0.20909848
  H     -4.05442279      2.30476782      1.30329239
  O     -2.36546994     -0.47711965      1.98588258
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  H     -1.11316223      3.25834178      5.14088132
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  H     -1.40814372      4.69856594      4.68791988
  O     -4.59202363      5.78969093      0.11440727
  H     -0.77940652      2.84122346      1.20321646
  H     -2.12672382      2.39145050     -2.49050769
  O     -2.42244238      0.74577335     -3.31905508
  H     -0.91626892     -1.35941617      4.76424791
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  H     -1.61550681     -0.58628843      3.63280469
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  O     -0.87476709      5.56083182      2.98240241
  H     -4.69699270      1.32412663     -1.08452576
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  O     -3.74190875      1.90560918      2.12863756
  H     -3.98254360      0.56826758     -2.22077788
  H     -4.02203853      5.09699997      3.26176624
  O     -1.73907168      3.98474640      5.24702710
  H     -2.80888464     -1.01800078      1.32057397
  H     -2.77002026      5.86707804      2.79691464
  O     -1.99114771      3.10702851     -1.85870312
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  H      0.83627755      0.00695238      1.28744613
  H      0.25047812      1.53501780     -0.04795225
  O     -3.72393753      5.79924524      2.67135722
  H     -0.69646741     -0.23599622      1.15678129
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  O      0.16614823      6.55754057      0.58310116
  H     -5.26413525      6.45426096     -0.00937407
  H     -0.56848553      6.28595491      0.00348393
          69
 Energy    -248.34431807133191     
  O      3.54626194     -3.62920763      3.06607463
  H      4.30782528     -3.80101835      3.64605247
  H      5.54925960     -3.36632840      0.68102317
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  H      6.93576151     -1.45095126      0.24553292
  O      6.11362328     -4.08949709      7.37769925
  H     10.01765246     -1.81242445      6.30593160
  H      5.57754069     -0.81639644      0.69127145
  O      6.89713609     -1.71825473      3.38772417
  H      8.50804229     -2.12314738      6.40335443
  H      6.56785272     -2.25926470      7.30646360
  O      5.33082125     -0.18717738      5.13349046
  H      6.95911983     -4.54645130      7.21371570
  H      6.27932506     -1.03296310      6.39633352
  O      8.70970200     -1.27780263     -0.24175904
  H      5.66452024     -4.57548630      8.06344140
  H     10.50770874     -0.59110476      3.09192547
  O      6.61293141      2.33544562      5.17295785
  H      6.36620842     -1.09639169      3.90543933
  H     11.00654063     -1.98558482      3.49149269
  O      8.91306226     -0.09683723      2.30622241
  H      6.54729902     -1.73783810      2.48585955
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  O      8.48504610     -5.15769390      6.64040625
  H      4.55661392     -0.30722568      4.56358920
  H      7.85238428     -5.88711587      2.92335687
  O      6.80984569      1.78688643      2.41478025
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  O      5.27042627     -4.27081260      0.88406997
  H      8.95544510     -2.14878619      0.12626025
  H      7.97025712      0.17365435      6.91652483
  O      6.08942158     -1.63514964      0.67354095
  H      7.33443940      1.90281423      5.66486551
  H      9.35350370      0.65327617      6.42684670
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  H      6.40574256      3.13877599      5.64258997
  H      9.33289981     -4.38065236      3.68976313
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  H      8.93059955     -0.39871466      1.38836381
  H      9.67874812     -3.12401744      4.48715766
  O      4.69022158      0.72191900      1.12607370
  H      8.33358362     -0.70818781      2.78552574
  H      3.75381193     -0.28710630      2.46811539
  O      7.96695221     -5.65279982      3.85259155
  H      6.29857085     -3.19516890      4.22366235
  H      3.42720924     -1.68282530      3.07286331
  O      8.45026767      0.94726984      6.59286874
  H      5.84885838     -3.95155821      5.52676750
  H      9.53582959     -3.52234945      1.85688604
  O      9.88551543     -3.58836007      3.66392514
  H      8.43660044     -5.53290091      5.75250476
  H      8.69154530     -4.38968528      0.89918822
  O      3.43744179     -0.73675234      3.26137614
  H      8.97272288     -4.32588475      6.55467617
  H     11.16690059     -0.45448024      5.20308842
  O      9.25327940     -3.60707923      0.93606620
  H      6.76577124      2.08648482      3.33105586
  H     11.87401187     -0.01578678      6.50754457
  O     11.02097647     -0.22912839      6.13944347
  H      7.61415742      1.25629038      2.34623122
  H      7.39817094     -6.55532613      0.45643151
  O      7.46936475     -5.83601185      1.07802626
  H      4.57630697     -4.17250686      1.54504695
  H      6.64862315     -5.31631813      1.00165388
          69
 Energy    -248.34428763622509     
  O     14.06714706      9.88370181    -10.84979533
  H     13.76357300     10.32895912    -11.65349647
  H     17.90503457      4.32010977    -12.07400747
  O     13.39642252     10.14461252    -16.73005334
  H     14.87686759     10.32769248    -10.56990094
  H     12.30641145      7.36512899    -10.69546230
  O     16.39365126     10.85010895    -13.23231950
  H     13.23336567     11.03142526    -16.38390662
  H     13.04729177      8.58823465    -10.13179011
  O     13.48931410      4.68458528    -12.68127901
  H     13.00795879      9.53400349    -16.09196891
  H     18.74079947      7.16331904    -12.97797810
  O     16.97120275      8.58115721     -9.01138938
  H     16.62166219     10.87032051    -12.29598000
  H     18.38467531      7.66095441    -14.39897175
  O     16.07993022     12.49080964    -15.53378775
  H     15.42713301     10.81516959    -13.27787288
  H     14.34302853     12.75646426    -15.49515489
  O     15.47819233      7.62321397    -11.96085872
  H     14.02429528      4.70867180    -11.87468980
  H     13.04206746     13.58987617    -15.61257350
  O     13.56704858     10.85636152    -13.34617961
  H     14.10877635      4.53407667    -13.40287811
  H     12.22227849      7.96862208    -13.82388591
  O     18.13979950      7.27802441    -11.19636945
  H     16.24678896      8.00315304     -8.74633131
  H     13.52399002      8.02982544    -14.64662618
  O     18.10052739      4.34599179    -14.04288209
  H     17.52334808      8.07288770     -9.62234573
  H     16.19464522     10.19262425    -18.24655107
  O     15.46575582      4.47501451    -14.79927797
  H     16.20722091     11.81829312    -16.21502527
  H     15.11011501     10.12939167    -17.14512116
  O     17.87342883      4.51897578    -11.13201786
  H     16.35814838     12.07830666    -14.70539855
  H     10.83979376      6.36737744    -12.43479783
  O     12.65609151      7.73806968     -9.87937079
  H     14.96309369      8.35843853    -11.61056101
  H     12.33067280      5.99217104    -12.57335826
  O     18.80358740      6.93794646    -13.91618826
  H     15.27099480      7.52077407    -12.89743724
  H     14.42048512      6.72189708     -7.42592193
  O     13.37121665     12.71235296    -15.44050824
  H     13.21501028     10.04523750    -13.74194675
  H     13.93394515      7.14815754     -8.82988895
  O     12.68866176      8.49669550    -14.48282670
  H     13.38573950     11.57491512    -13.96239953
  H     15.28754545      6.04946726    -11.10637835
  O     16.06565150     10.23076448    -17.30259922
  H     18.17844547      6.31817962    -11.06485379
  H     15.05980815      5.55369460     -9.67853755
  O     11.71765717      6.74112344    -12.46575903
  H     17.23924087      7.47417943    -11.49865163
  H     15.88506704      7.75152912    -14.92158355
  O     14.71207158      6.85070563     -8.32470289
  H     18.38570908      5.27886267    -14.04058029
  H     15.25703997      6.30996257    -14.83249136
  O     15.21226597      5.23914246    -10.57684325
  H     18.86484468      3.82730634    -14.28009735
  H     16.81438086     10.09006304     -9.85005028
  O     15.08723695      7.25044685    -14.70395852
  H     15.32588632      3.87505931    -15.52826587
  H     16.99042014     11.62478750     -9.86296796
  O     16.64111104     10.89619554    -10.36928975
  H     16.39084035      4.36804967    -14.52324046
  H     16.95458388      9.35850367    -15.92699231
  O     17.22859098      8.95128409    -15.09541394
  H     16.93634202      4.59747564    -10.90245224
  H     17.02895627      9.58851511    -14.39350816
          69
 Energy    -248.34418398650666     
  O     -1.68841785      3.92513851     -2.75992521
  H     -0.81196459      3.84828364     -3.15971791
  H     -0.43548838      5.78450415     -0.99022996
  O      2.91183766      2.54482314      4.56048940
  H     -1.69979631      4.77078036     -2.29447874
  H     -1.25373243      0.68157823      3.27487580
  O     -1.34091154      2.39754499     -0.33903509
  H      2.13487762      2.87435647      4.07929654
  H     -0.12777578      0.04483981      2.38751696
  O      0.72758045      1.00329825     -3.28965994
  H      3.19610277      3.25039677      5.13601758
  H     -2.92867662      2.63938371     -3.05640175
  O      0.56885482     -0.75914711      0.87848201
  H     -1.69622667      1.50044008     -0.39404825
  H     -4.08506230      2.09429578     -2.20902060
  O      0.69644144      3.10301841      2.98942869
  H     -1.55139680      2.86207569     -1.15785286
  H     -1.11424984     -0.69239737      0.01899610
  O      0.96658041      3.67074242     -3.61193960
  H      1.01166452      1.02140967     -2.36369373
  H     -1.86473396     -0.49530618     -1.34018733
  O     -3.52078615      4.95146922      0.27194693
  H     -0.11489532      0.53536247     -3.30809956
  H     -2.32615850      2.92174111      2.61427840
  O      4.09175375      1.52594753      2.12395441
  H      0.86060667     -0.01404805      0.32925954
  H     -1.67067356      3.21132138      1.24065682
  O      1.98814268     -0.16256877      4.65056123
  H      1.36674913     -1.08370449      1.31378364
  H     -3.46200689      1.03678771      2.52260292
  O      1.13902483      5.00863934     -1.04619571
  H     -0.12390782      3.55809267      2.76420645
  H     -3.61382641      1.18467048      4.05698506
  O     -1.32597096      6.16156505     -1.11034132
  H      0.44215909      2.16975500      3.05084577
  H     -2.17243012     -0.87215775     -3.84060831
  O     -0.30544330      0.51538340      3.21310292
  H      1.46372960      3.89544306     -4.39362349
  H     -2.49375711      0.47482111     -3.14740255
  O     -3.50198573      1.86707533     -2.94265903
  H      0.93400601      2.69815571     -3.57013332
  H     -3.46427985      0.15140700      0.48943611
  O     -1.93009642     -0.36913639     -0.38438380
  H     -3.06204837      4.61072114      1.05245870
  H     -4.44538772      1.35303687      0.42459842
  O     -1.89256108      3.61239824      2.09739756
  H     -2.85247163      5.46027538     -0.20184300
  H     -4.44922502      3.58575706     -0.36412076
  O     -3.00112511      1.30808200      3.33734539
  H      3.85170142      1.83236675      3.00777524
  H     -5.86191643      3.07703022     -0.71807492
  O     -1.85832046     -0.26406849     -3.17659054
  H      3.78700194      0.61297351      2.07293877
  H      3.23687416      2.83332666      1.17872886
  O     -4.12832178      0.64128233      0.99420280
  H      1.09538467      0.00243074      4.31340732
  H      1.85708987      3.39635758      1.55583734
  O     -4.94788385      2.80740503     -0.66740572
  H      2.36764827      0.71005297      4.81090620
  H      0.34162299      1.85319099     -0.52398584
  O      2.52512602      3.40536067      0.85591490
  H      1.70093167      4.54893365     -0.41057666
  H      1.82493069      2.06333206     -0.17091416
  O      1.21908330      1.44747574     -0.59920893
  H      1.22425220      4.53642226     -1.88343786
  H      2.66921387     -0.90437891      3.20418156
  O      2.96983694     -1.18453335      2.32143352
  H     -1.20530325      7.09537697     -1.26146108
  H      3.54967599     -1.93032220      2.45371673
          69
 Energy    -248.34412385892017     
  O      7.27134967     -3.97033858      5.05974874
  H      6.83636907     -4.58053612      4.45352010
  H      3.48519934     -3.12304037      4.52738753
  O     -0.45248143     -5.51379469      5.38621485
  H      7.67262168     -3.29643770      4.49613644
  H      2.65325018     -6.07319544      2.24515681
  O      1.49814899     -2.57121991     -0.20661946
  H     -0.88267564     -4.67714457      5.12995652
  H      3.13468205     -7.24280894      1.35362413
  O      3.17004149     -2.57037740      8.58148899
  H     -1.14359053     -6.11289141      5.65426582
  H      1.84184903     -0.01575971      1.70979733
  O      1.39306399     -3.89276320      6.80932017
  H      2.34137937     -3.05002173     -0.11274950
  H      2.07981916     -0.87263289      0.45803755
  O      6.67330275      0.11019560      4.00967327
  H      1.24529371     -2.63288632     -1.12411266
  H      2.30362256     -4.86572444      4.03607715
  O     -1.34145674     -3.08329899      4.59897739
  H      2.49496466     -3.13598191      8.18494335
  H      0.89847509     -5.51782756      4.09493019
  O      8.18100705     -1.99024021      3.21339987
  H      4.00885201     -2.83002600      8.17797215
  H      6.90555099     -2.65957582      1.97617693
  O      2.45278372     -0.07336113      7.75003036
  H      0.75229153     -4.54277464      6.49936034
  H      5.85295340     -3.75884349      2.13658586
  O      3.46262088     -1.56913717      3.83498356
  H      2.15404026     -3.95469073      6.21564934
  H      5.29574016     -2.09976249      6.62394759
  O      4.71249925     -0.42829929      6.03061657
  H      6.10687430      0.07954096      4.78955168
  H      6.15814581     -3.36870502      6.35933378
  O      3.56541894     -3.95574645      5.02343247
  H      6.08624517      0.13627556      3.24005537
  H      0.74707146     -3.85160745      2.59106450
  O      3.35647062     -6.36008004      1.63956933
  H     -0.98817397     -3.02154123      3.70097401
  H      0.56773781     -2.95581906      1.33965957
  O      2.40674214     -0.09825628      0.93205094
  H     -0.94936264     -2.35518970      5.09432752
  H      3.68608816     -4.80309688      0.57433123
  O      1.61739707     -5.28031049      3.49473542
  H      9.07956896     -1.71435468      3.05355996
  H      4.63862520     -3.58838747      0.49011908
  O      6.10263096     -3.01366577      1.57209780
  H      7.70306489     -1.20923778      3.54616734
  H      0.62177631     -1.46393149      2.93302467
  O      5.39056831     -3.03691382      6.84864736
  H      2.34032985      0.53588653      8.47538570
  H      0.70344191     -0.72758965      4.29392785
  O      0.23960837     -3.11118439      2.23539772
  H      2.70394738     -0.93019998      8.14012991
  H      4.84385517     -5.74382621      2.68121296
  O      3.79872453     -3.93610614      0.16676271
  H      2.57889365     -1.21510294      3.67292530
  H      4.78760469     -4.78648587      3.88684804
  O      0.91914483     -0.64403946      3.35471662
  H      4.03709886     -1.23086627      3.13682731
  H      0.76892034     -2.20828726      6.30799351
  O      5.38804580     -5.17115128      3.23394101
  H      4.02221973     -0.12713839      6.63207771
  H      1.04493481     -0.73041411      6.59140866
  O      0.50957663     -1.31518608      6.04138953
  H      4.24676379     -0.78406200      5.25853826
  H      4.15426044     -0.24691602      1.37784480
  O      4.99181555     -0.43238989      1.82868346
  H      4.20645935     -3.78298985      5.72894352
  H      5.32771670     -1.28881425      1.53277336
          69
 Ord_Energy   -248.343750    
 O   -7.45309815E-02  0.721358776       3.23777008    
 H   0.878462851      0.753254116       3.09682918    
 H  -0.382248521     -0.120443948       2.86897445    
 O    1.60645092       2.52649093      0.331148118    
 H    2.04974890       2.04862928       1.04193258    
 H   0.761040270       2.81455612      0.698105276    
 O   -4.14723063      0.304819435     -0.223123655    
 H   -4.61059856      0.812714934      0.457914919    
 H   -3.32845211      0.786619365     -0.414803952    
 O  -0.895168543       2.86533308       1.61985874    
 H   -1.66453409       3.26432347       2.04351807    
 H  -0.633316934       2.12264466       2.18419886    
 O    2.86093593     -0.799092889      -2.38896561    
 H    3.62615514     -0.854723871      -2.95648241    
 H    2.58505368      0.132778764      -2.38105750    
 O   -2.99089193      -3.53071451     -0.452175498    
 H   -3.23214793      -2.94857097      -1.18367505    
 H   -2.10549188      -3.86312628     -0.637928307    
 O   -5.07263756       1.62171507       2.00164723    
 H   -4.51420879       2.35925698       2.27577424    
 H   -4.98508263      0.958896279       2.69731927    
 O   -3.88908362      -1.49383116      -2.29225922    
 H   -4.71273613      -1.60926056      -2.76139188    
 H   -4.06053591     -0.836042583      -1.59802139    
 O   -1.47843599     -0.976362705      -3.76332474    
 H   -2.32568097      -1.10423362      -3.32140398    
 H   -1.25348175      -3.74465100E-02  -3.68537164    
 O   0.483897746      -2.37779999      -2.61553311    
 H  -0.185755953      -1.92464411      -3.15651107    
 H    1.31450117      -1.89502668      -2.68219447    
 O   -7.33151212E-02 -0.603830397     -0.467709541    
 H   0.828043997     -0.586718321     -0.123359129    
 H   -5.79778105E-02  -1.20603895      -1.22086895    
 O  -0.314535886      -4.43336248      -1.03601062    
 H  -0.195776463      -5.27926731      -1.46125901    
 H   -5.32795023E-03  -3.75766420      -1.66443455    
 O    2.63616252      0.799955547       2.36576939    
 H    3.45070863      0.786126494       2.86176205    
 H    2.69010234       7.79523775E-02   1.71552217    
 O   -2.45426679       1.42799258       4.59660912    
 H   -3.06381798      0.699021161       4.42463923    
 H   -1.58414233       1.14406216       4.28664398    
 O    2.07163334       1.85017776      -2.25020957    
 H    1.88433588       2.09628105      -1.32651055    
 H    2.44871426       2.62432909      -2.66202831    
 O    2.57157588      -1.11534417      0.434294254    
 H    2.82859921      -1.13802588     -0.493926018    
 H    2.17798519      -1.97137582      0.672151804    
 O   -4.41200733     -0.517125309       3.84611297    
 H   -4.17496347      -1.07800281       3.08861232    
 H   -4.99484301      -1.03544152       4.39563560    
 O  -0.681075692       1.63451087      -3.23663092    
 H   -1.17145824       1.78214538      -2.41553807    
 H   0.246241808       1.70398605      -2.98691869    
 O   -3.67516494      -1.81604910       1.55179346    
 H   -3.83982563      -1.05971348      0.970303893    
 H   -3.49934363      -2.56485677      0.962614000    
 O   -3.20799875       3.54482079       3.08141398    
 H   -3.45487070       4.30226946       3.60533738    
 H   -2.95216751       2.84095716       3.70616555    
 O    1.13183665      -3.31952262       1.16662621    
 H   0.683675885      -3.81110907      0.467240036    
 H   0.427122056      -2.87092948       1.65320337    
 O   -1.75529504       1.55346918     -0.661069810    
 H   -1.53073299       2.10994101       9.51682106E-02
 H   -1.14509618      0.799886405     -0.631537378    
 O  -0.935858369      -1.56628382       1.97970152    
 H   -1.88823473      -1.71806836       1.96385860    
 H  -0.707742095      -1.26762223       1.08630705    
          69
 Energy    -248.34366481753023     
  O     -0.99487948      3.63422144      4.67518459
  H     -0.58181472      3.78657942      3.81829233
  H     -1.23968405     -3.03037283      4.77934926
  O     -2.56940329      1.33583186      4.27784697
  H     -1.64135560      2.92871076      4.53290056
  H     -1.95158314     -0.63992911      1.77009735
  O      0.52670528      2.25694051      6.50713318
  H     -2.14118868      0.91364401      3.51762883
  H     -0.55335799     -0.15179332      2.24678460
  O     -0.05325178      2.01856956     -1.70994943
  H     -3.51511441      1.27657816      4.10256457
  H     -2.08553385     -2.80081585      1.32853205
  O     -1.03579446     -0.65802042     -1.62994938
  H     -0.07295589      1.53301744      6.71272512
  H     -3.36115903     -2.20074946      2.03557478
  O     -4.25954032     -1.89652779      3.49233879
  H      0.02307445      2.85659196      5.93431773
  H     -4.87790289      1.07692632      2.35002225
  O     -3.79873586     -0.81348958     -0.88671444
  H      0.74977436      1.69031890     -1.26611236
  H     -6.00472941      1.19586001      3.40109674
  O     -1.61503400      2.42982295      0.57689291
  H      0.23272984      2.48260890     -2.49196547
  H      1.15400681     -1.04631325      1.58714005
  O      2.05062638      0.94477759     -0.37255184
  H     -1.98574594     -0.66153209     -1.46630966
  H      1.55412504      0.25323234      2.37726495
  O     -2.69698093     -2.35221709      5.83373676
  H     -0.79052269      0.26118115     -1.78881399
  H      0.19724969     -1.42626339     -0.59764906
  O     -0.48317770     -3.72207851      1.61760335
  H     -3.79335522     -2.02174270      4.32795693
  H      0.50330432     -2.53348216      0.43920219
  O     -0.42401704     -3.19363457      4.29092784
  H     -4.61549359     -0.99938791      3.49524543
  H      1.96659758      1.83746985      5.64889532
  O     -1.46150864      0.13071911      2.07924538
  H     -3.50173115     -1.38160313     -0.15301826
  H      3.50773789      1.72107696      5.64394240
  O     -2.82318804     -2.18895285      1.22701326
  H     -4.42967683     -1.32214904     -1.39011771
  H      1.55441341      2.61071703      2.30465714
  O     -5.13559886      0.83141675      3.25662208
  H     -1.15858102      2.32588803     -0.26839026
  H      2.47334753      1.84435485      3.29896215
  O      1.14659491     -0.62133670      2.45515296
  H     -1.54444150      1.58418028      1.04864947
  H     -0.38150572     -0.38146288      5.83560858
  O      0.88405732     -1.76295590      0.00016644
  H      2.27819971      1.27919635      0.50336102
  H     -1.68326920      0.45487923      5.58871004
  O      2.72790445      1.50350287      5.13979574
  H      1.88253783     -0.00061071     -0.28244704
  H      1.84164563     -0.30273915      5.33965101
  O      2.20917242      1.90254012      2.37035142
  H     -2.98111484     -2.76023521      6.64800042
  H      1.15954138     -0.95582057      4.14535798
  O     -1.21167776     -0.08768042      6.23944365
  H     -2.21598319     -1.54397597      6.07967867
  H     -3.49859528      1.99208830      0.65106678
  O      1.20605420     -0.98981988      5.11582786
  H     -0.41678323     -3.53572378      2.57120796
  H     -4.21573321      0.74096322      0.11808221
  O     -4.30993891      1.47681094      0.73623656
  H     -0.38577264     -4.66632736      1.52075924
  H      0.29070300      4.74666258      1.71621258
  O      0.19491260      3.86389888      2.06638232
  H      0.23532438     -2.61005023      4.68524638
  H     -0.49545730      3.42738371      1.54018323
          69
 Energy    -248.34355867668421     
  O     14.64029355      9.34673221    -10.40805374
  H     15.39811260      9.60416018     -9.86858774
  H     14.80629016      4.53849473    -16.07583092
  O     12.99062633     10.92544702    -16.00449444
  H     14.42768635     10.05976505    -11.02606002
  H     17.13565649      4.99187793    -11.13205430
  O     16.72687244     10.96307089    -13.51923072
  H     12.98269451     11.71326210    -15.44652411
  H     17.99123544      4.90722297    -12.40747464
  O     13.48789133      4.79449683    -12.85775930
  H     12.77291564     10.18742629    -15.42082978
  H     12.47774132      7.04387624    -10.76836585
  O     17.28144855      6.84009367     -9.11735639
  H     17.32891661     10.81672767    -12.77552703
  H     13.50924042      7.91633720    -10.03030101
  O     15.93070747     12.97268204    -15.30149126
  H     15.82568475     10.89329515    -13.17858771
  H     18.20573880      8.11525200    -15.45560385
  O     15.88129680      7.71332786    -12.30928897
  H     14.02154561      4.67065201    -13.65158889
  H     19.59826552      7.50156812    -15.71578550
  O     14.05363938     10.89837406    -12.61033034
  H     14.10395318      4.83274440    -12.11678842
  H     14.33578724     13.19538610    -14.60234388
  O     18.69877220      7.68645043    -12.34989161
  H     17.95999638      6.37301120     -9.61242458
  H     13.11558650     14.01818205    -14.11944217
  O     18.30608148     10.27179200    -11.40075450
  H     16.45865989      6.42328561     -9.40280507
  H     13.55418522      8.37335339    -14.44723176
  O     17.76971788      4.88365236    -14.20002360
  H     16.37284591     12.40242955    -14.65592082
  H     12.30983931      8.23114150    -13.54268811
  O     15.09040579      4.82014698    -15.20976127
  H     15.84379002     12.43863689    -16.09978039
  H     14.48160526     10.93267040    -16.92383361
  O     18.02948764      5.13189864    -11.46325788
  H     15.47981380      8.31785294    -11.67146987
  H     15.18890913     11.16470069    -18.27959532
  O     13.05145642      7.06434330     -9.99369737
  H     16.84028746      7.82033753    -12.27439434
  H     10.79208582      6.43382461    -12.53426995
  O     18.81813055      7.41728358    -15.17205135
  H     13.77446671     11.72821339    -13.01548421
  H     12.28256951      6.05700418    -12.69469090
  O     13.44262221     13.12859086    -14.21881861
  H     13.58945066     10.18920296    -13.07913507
  H     14.42427097      5.92824403    -10.29766418
  O     12.80809313      8.86449438    -14.07376074
  H     18.85609153      7.60823890    -13.29908410
  H     15.51336724      6.23538552    -11.33815193
  O     15.35275971     11.00566701    -17.35393604
  H     18.59533251      6.78842123    -12.00385565
  H     15.68989615      8.14257972    -15.32285314
  O     11.67309049      6.80023582    -12.53671197
  H     18.61720898      9.39815158    -11.67750826
  H     15.34048441      7.53116452    -13.94528426
  O     15.23221341      5.56498099    -10.69407195
  H     17.93658207     10.14795089    -10.51917066
  H     17.16029589      8.60167065     -8.95162063
  O     15.09154626      7.52522320    -14.88537505
  H     18.10967739      5.67637947    -14.63128575
  H     17.22041510      9.85773470     -8.05282124
  O     17.02661720      9.56559519     -8.93982583
  H     16.88583930      4.74360391    -14.55993113
  H     16.50867100      9.89604073    -16.42859774
  O     16.96926966      9.38340983    -15.75276523
  H     15.05131232      5.79258544    -15.19973799
  H     16.94824642      9.91615770    -14.94148731
          69
 Ord_Energy   -248.343292    
 O    3.33635592       2.11681008       11.5819693    
 H    3.99343324       1.40808761       11.7062044    
 H    2.76592231       2.10188508       12.3455505    
 O    6.45848131       3.54946184       4.99152756    
 H    6.99581146       3.75217080       5.76699066    
 H    6.30294466       2.59406424       5.04798031    
 O    9.44347000       1.46125519       7.35098886    
 H    9.70205975       1.04386413       8.18013763    
 H    9.45537853      0.755840242       6.69288397    
 O    3.76272869     -0.942567885       8.61079597    
 H    3.94765854      -1.41691494       9.42878437    
 H    3.47076774      -4.26737890E-02   8.81672478    
 O    9.45103931     -0.889222622       5.69325399    
 H    10.1254988      -1.11210072       5.05795383    
 H    8.59300327      -1.07125235       5.26767588    
 O    5.72440958      0.932870746       5.57296038    
 H    4.76447582       1.01339507       5.63021564    
 H    6.03155565      0.731353104       6.46879339    
 O    9.78699589       2.49487609E-02   9.86997223    
 H    8.97625256      0.458778799       10.1876593    
 H    10.4097633       3.70778106E-02   10.5915308    
 O    5.18182230      -3.25541067       5.86967468    
 H    4.90442133      -4.04631758       5.41363859    
 H    4.42509460      -2.64304399       5.84334230    
 O    4.85039473      -2.44417500       10.7131081    
 H    4.53053522      -3.19406581       11.2077093    
 H    5.37336540      -2.80405664       9.97338676    
 O    7.41271973       1.25896037       10.4006491    
 H    7.00214577       1.00080454       9.56013489    
 H    7.49400711       2.22041368       10.4172478    
 O    3.12238646      -1.49383068       6.00489950    
 H    3.26384950      -1.38985801       6.95971537    
 H    2.91414213     -0.607679546       5.69455290    
 O    5.21683025      0.180103853       11.7843657    
 H    6.03726864      0.526679695       11.4087496    
 H    5.15142536     -0.738313258       11.4979401    
 O    7.62442541       4.06175280       10.4096222    
 H    6.67693996       4.21789074       10.5766068    
 H    8.10511303       4.69887781       10.9303989    
 O    4.95113373       4.30177927       10.6480103    
 H    4.79570341       4.21855974       9.69561291    
 H    4.39735460       3.63191652       11.0656118    
 O    7.59905863       3.50138807       7.60417938    
 H    8.23907280       2.78489256       7.47383308    
 H    7.73953581       3.83497930       8.49718857    
 O    6.35239792       7.46031106E-02   8.13679218    
 H    5.50303745     -0.362260371       8.28362179    
 H    7.02849579     -0.612479508       8.07637310    
 O    7.00181246      -1.38163817       4.72532225    
 H    6.44278431      -2.08728600       5.07054615    
 H    6.50822020     -0.560743392       4.86404657    
 O    3.82397676       4.08657360       5.32932949    
 H    4.76333094       3.97011852       5.09560966    
 H    3.50419068       4.83057976       4.82688713    
 O    2.94937229       1.42219806       5.91788864    
 H    3.08608270       2.33055663       5.61855602    
 H    2.78684354       1.47589862       6.86832714    
 O    8.50911808      -1.80447865       8.16312313    
 H    9.02376556      -1.31249571       8.81547928    
 H    8.90016365      -1.61042869       7.30068779    
 O    6.22685528      -3.33959341       8.55408382    
 H    5.84021807      -3.35725760       7.67028236    
 H    7.10518885      -2.94781065       8.45251846    
 O    3.06335878       1.70363474       8.81254387    
 H    3.73630190       2.32870603       8.50330639    
 H    2.97519541       1.86575103       9.76009560    
 O    4.81830835       3.65050960       7.94172001    
 H    5.75765467       3.50194192       7.76480722    
 H    4.41761112       3.92873573       7.10997772    
          69
 Energy    -248.34327567933227     
  O     14.54515797      9.49736972    -10.01159299
  H     15.15632272      8.77164169     -9.83525430
  H     13.60651908      6.37312498    -15.39128244
  O     15.30006551      5.26119054    -12.89822197
  H     15.07333485     10.30433271     -9.95211157
  H     17.60876338      6.58538233    -15.77422450
  O     15.98819573     12.35350446    -12.69144466
  H     15.98217664      5.03811966    -12.25042106
  H     17.39902839      5.09343735    -15.51740674
  O     17.97570816     11.45434539    -14.56593664
  H     15.49644671      4.76453728    -13.70342122
  H     15.93539602      9.65647111    -16.14241582
  O     11.15935058      8.18885801    -15.46680163
  H     15.16891670     12.11533388    -13.14415911
  H     16.54269494     11.01019620    -15.72501537
  O     16.62440312      7.56097720    -10.24922534
  H     16.70266617     12.14464671    -13.30425716
  H     15.19541412      8.42016263    -12.89479479
  O     12.93223115      6.70349965    -13.73021453
  H     18.23892543     10.66940450    -14.05582334
  H     15.82154635      6.99369408    -13.04223302
  O     13.85801720     11.28562067    -14.18749660
  H     18.78097163     11.90579835    -14.80665648
  H     18.12733796      5.49273619    -11.79254021
  O     13.36957739     10.21225359    -17.61743601
  H     11.58427858      7.61111552    -14.82248677
  H     18.02326686      4.33493132    -10.76920452
  O     15.70041365      4.12594305    -15.45565530
  H     11.48334893      7.91211323    -16.33311779
  H     17.64520963      8.78767732    -13.08181865
  O     16.19215804      7.91314644    -15.86035785
  H     16.43686297      7.80982365    -11.16397032
  H     18.57826181      9.52054197    -12.08909904
  O     14.03326456      6.16476206    -16.23606044
  H     16.93758053      6.65139276    -10.30807064
  H     19.12745430      7.33866074    -12.95193639
  O     18.06602561      5.78822319    -15.47900895
  H     13.52689119      6.08331582    -13.29206517
  H     18.80847982      6.12917558    -13.85652933
  O     15.76072757     10.60963153    -16.12366207
  H     13.06004908      7.55252619    -13.27792595
  H     17.87674953      9.01670274    -10.10269348
  O     16.02005437      7.94142491    -13.06198776
  H     14.49815260     11.04247981    -14.87244731
  H     17.71400082     10.54366887    -10.18090427
  O     17.52062200      5.03046946    -11.18364308
  H     12.98950714     11.29013439    -14.60867269
  H     12.85328211      8.57742388    -17.91638405
  O     18.49387436      9.24750330    -13.01655313
  H     14.23271291     10.44762014    -17.25499450
  H     12.12362983      7.57759989    -18.84596700
  O     19.05079139      6.37930327    -12.95207879
  H     12.71360217     10.58821259    -17.01683768
  H     16.23237671     12.56346206     -9.55965050
  O     18.34185019      9.82822793    -10.34419574
  H     15.50730020      3.28131374    -15.85465623
  H     16.16260693     12.01499888    -11.00445376
  O     12.49074883      7.67467033    -17.97163653
  H     15.08916401      4.77033272    -15.85148857
  H     10.61812088     11.32972851    -15.59140417
  O     16.26156627     11.75867599    -10.06998050
  H     16.17143064      7.95771917    -14.89399093
  H     11.29841913      9.94574047    -15.46266408
  O     11.46772678     10.89732827    -15.58002654
  H     15.45671686      7.33993519    -16.11300743
  H     13.62991653      9.90789089    -13.03650231
  O     13.59413057      9.08686976    -12.52883830
  H     13.51279485      6.58554482    -16.93203529
  H     13.79431049      9.28051996    -11.60004513
          69
 Energy    -248.34317623933555     
  O     -1.25357101     -2.54370215     -0.32250995
  H     -0.71504002     -1.77158293     -0.11158192
  H      2.93732316     -2.86735597      3.28863445
  O     -2.38901276     -1.25535252      7.64369542
  H     -0.73367849     -3.10748637     -0.91129225
  H      0.01196093     -4.32907311      2.19733436
  O     -2.41473224     -0.33910219      3.60371398
  H     -2.95272673     -2.03598426      7.70841210
  H     -0.86642765     -3.36844375      1.30968827
  O      2.16864398     -3.58468788      6.32254941
  H     -1.59016802     -1.54444973      7.18169332
  H     -1.96369562     -4.35735216      3.05266590
  O     -4.12451366     -3.53765897      7.33735319
  H     -3.01135732     -1.03291079      3.29056864
  H     -2.49864935     -4.86396888      4.41305520
  O     -0.29362858     -2.27762456      6.06948712
  H     -2.83286971      0.03886090      4.38626658
  H      4.28145666     -4.33503995      1.75137419
  O      0.63751151     -5.69330013      5.10748279
  H      2.89147332     -3.54612481      6.94247717
  H      3.03035241     -3.63822374      1.16279211
  O     -5.20185740     -1.93650381      5.42674680
  H      2.45631582     -3.11731615      5.51709943
  H     -4.21309934     -2.61198812      1.93546436
  O      1.11545504     -5.73154328      2.40092499
  H     -4.81228495     -3.85694398      7.91505525
  H     -3.71627074     -3.28206899      3.21675769
  O     -3.13331612     -6.04823680      1.06116026
  H     -4.56385459     -3.01778751      6.63997288
  H      1.70445140     -3.34143843     -0.71739667
  O     -0.43157301     -6.21023603      0.10631312
  H      0.55830500     -2.67726120      6.29024558
  H      1.77457063     -2.01315528      0.07606828
  O      2.68528274     -2.28431448      4.01626615
  H     -0.19092198     -1.86239934      5.20665946
  H     -0.77253954     -0.80522418      3.45894372
  O     -0.61669373     -3.59487288      2.21410729
  H      1.22308840     -5.07964470      5.56796523
  H     -0.12945530     -2.14816174      3.00801335
  O     -2.71126935     -4.81172342      3.47333120
  H     -0.23816420     -5.54605696      5.48357190
  H      0.44862534     -0.72241294      1.61394874
  O      3.37840724     -4.09939010      1.94741613
  H     -4.99438511     -2.11890173      4.50034386
  H      0.65719135      0.33414553      0.51069064
  O     -4.13456378     -2.47431763      2.88907618
  H     -4.85100538     -1.05484006      5.60350958
  H      0.12900654     -5.07575263     -1.05884713
  O      2.26889487     -2.81273577     -0.13883828
  H      0.96164506     -5.82521089      3.35422278
  H      0.45697856     -4.70714904     -2.52770381
  O      0.07909436     -1.26365251      3.35450786
  H      1.96664746     -5.29237730      2.28176454
  H     -3.93875055      1.26976970      6.43221818
  O      0.59657480     -0.60626748      0.66309979
  H     -3.75964384     -6.76791777      1.08984252
  H     -3.21995204     -0.08445617      6.64255635
  O      0.41772061     -4.35141409     -1.64446621
  H     -3.05516866     -5.71409144      1.97079538
  H     -2.65147706     -4.39432077      6.58672709
  O     -3.72080096      0.44896798      5.99970170
  H      0.11877567     -6.23650122      0.90099395
  H     -1.33377247     -3.80460383      6.04810654
  O     -1.85781372     -4.61792768      6.08388114
  H     -1.35039699     -6.21135726      0.40124002
  H     -3.73668683     -4.27079310      0.39330654
  O     -3.89605948     -3.32878452      0.26427747
  H      1.89141606     -1.81051713      3.74127183
  H     -3.05376119     -2.96719277     -0.04286706
          69
 Energy    -248.34294044620952     
  O     21.38036943     11.56467909    -17.56883550
  H     21.60435191     12.49332280    -17.37911473
  H     18.90474944     17.54781659    -16.30919057
  O     21.77404809     15.41432679    -14.49440996
  H     22.16025160     11.16984498    -17.95050059
  H     15.49773023     11.00521088    -12.60876937
  O     15.63739358     13.51362625    -14.28565961
  H     22.41627826     15.94761863    -14.03367114
  H     15.01155701     10.45015357    -13.95530495
  O     17.44378036     10.56717759    -16.92775784
  H     20.95513631     15.93778178    -14.53708417
  H     18.69561339     16.64706806    -13.95832191
  O     17.16198263     11.01930718    -11.58815788
  H     15.16609773     14.35093331    -14.21894311
  H     18.95559295     15.84112045    -15.24852609
  O     15.82532391      9.11400910    -15.11768714
  H     15.13043912     12.77919657    -13.90761105
  H     18.62328671     13.41944907    -13.04050598
  O     21.92829245     14.18298364    -17.11211289
  H     18.23259574     10.63273674    -16.37035489
  H     17.07717767     13.51318885    -13.21679795
  O     19.88453323     15.55848161    -18.40860319
  H     16.81524767     10.01603639    -16.44586527
  H     18.79054644      9.68346410    -14.15764875
  O     14.98488505     16.25978105    -14.41921005
  H     17.24082505     10.95755758    -10.63953368
  H     17.89352097      9.83841487    -12.89706284
  O     20.01096463     13.22456770    -14.18635898
  H     17.42378292     11.92299420    -11.83174701
  H     15.96975292     14.28786452    -18.14073590
  O     18.92409315     11.82779807    -19.01100282
  H     16.63148198      9.07089495    -14.57038047
  H     16.74842432     14.84911294    -19.34000917
  O     18.57381063     17.67979044    -17.20795366
  H     15.48928241      8.22380795    -15.18318121
  H     15.81808453     16.37178024    -17.64063390
  O     14.81591090     11.11551308    -13.28361420
  H     21.33689504     14.73247229    -17.64661547
  H     15.25091807     17.79534737    -17.45397347
  O     19.29127411     16.57962162    -14.71729452
  H     21.98406785     14.60847164    -16.24960813
  H     16.55380083     16.36468699    -13.24493426
  O     17.78937839     13.50614308    -12.55778918
  H     19.37890053     15.19075484    -19.14392175
  H     17.52463289     15.42928458    -12.49552050
  O     18.09111663      9.25915573    -13.64395574
  H     19.45915141     16.38266918    -18.12776433
  H     20.39588055     10.86869244    -16.11763588
  O     16.03913674     15.05996615    -18.72328127
  H     14.22946932     16.79668288    -14.19005537
  H     19.89640560     11.55010302    -14.83810433
  O     15.71919419     17.09898887    -16.99874206
  H     15.26324558     16.53936233    -15.30583455
  H     19.05198262     14.65781163    -17.02733764
  O     17.38138287     16.35006996    -12.74974200
  H     19.50770504     13.53946009    -14.95714103
  H     17.78057063     13.92393389    -16.50857568
  O     19.79198787     10.75036493    -15.37351990
  H     20.75920964     13.82599505    -14.10811130
  H     18.34111840     14.03081133    -21.18993924
  O     18.60540176     14.33844914    -16.23276137
  H     19.79366080     11.74912057    -18.59966038
  H     18.48796887     13.29991860    -19.83539836
  O     18.29006072     14.16087491    -20.24678573
  H     18.32830471     11.31046662    -18.45595280
  H     15.93542618     13.16633439    -15.98029070
  O     16.21750677     13.03812619    -16.89739362
  H     17.62294962     17.53393232    -17.14781143
  H     16.58573298     12.14769565    -16.96249131
          69
 Energy    -248.34272635285001     
  O     -0.45583757      3.40042344      4.02658072
  H     -0.42946762      3.94724206      3.23201795
  H     -0.28677918     -3.69409674      3.86740959
  O     -2.43451306      1.48653606      3.67604139
  H     -1.20982743      2.80384238      3.91052479
  H     -1.29833741     -0.65464522      1.83628105
  O     -0.26743972      2.26088491      6.64381862
  H     -2.32058646      0.98838554      4.49490768
  H      0.08224953      0.01678197      2.09395693
  O      2.92466834     -1.02077277      0.30545442
  H     -1.86806932      1.03733635      3.02815203
  H     -2.80214301     -2.11874643      3.00339146
  O     -0.39780880      1.29114443     -2.15795640
  H     -0.88323635      1.52543820      6.52890575
  H     -3.12077307     -1.76987622      1.49973269
  O     -1.47918982     -1.20292678     -1.23870103
  H     -0.36875146      2.82209209      5.86392073
  H      2.26791254     -0.49508088      1.93258584
  O     -4.02281961     -0.83284385      0.22133679
  H      3.70092476     -1.50175279      0.03379667
  H      1.97399901      0.63601445      2.98829931
  O     -1.42965175      2.32557525      0.19439935
  H      2.15328116     -1.58309032      0.10053671
  H     -0.04855126     -2.07753846     -0.53911184
  O      1.93013192      1.38277757     -0.84056798
  H      0.47459297      1.31153651     -1.71924880
  H      0.40665838     -3.05983498      0.57278209
  O     -2.98707308     -2.42362042      4.87627481
  H     -0.25076481      1.51367759     -3.07254389
  H      1.35218995      1.59845783      6.65037576
  O     -0.48711317     -4.01807131      1.96003580
  H     -2.33559354     -1.03261193     -0.83427421
  H      2.74755806      1.32435859      7.26256046
  O     -0.47899172     -3.43307273      4.77612663
  H     -1.16953705     -0.36011705     -1.59447092
  H      1.40296150      3.81529159      1.23099956
  O     -0.83716074      0.19197626      1.85649876
  H     -4.05426871      0.06647675      0.59240742
  H      2.36632045      2.98329071      2.08764841
  O     -2.45516236     -2.12700452      2.10255226
  H     -4.84768770     -0.96947035     -0.23686619
  H     -2.24562675     -0.84716103      5.64784213
  O      1.74150332     -0.26065625      2.70628546
  H     -1.16195723      2.10125933     -0.70534023
  H     -0.77225973     -0.40495234      5.59765451
  O      0.72875432     -2.48334465     -0.12806474
  H     -1.16259621      1.57214626      0.74438363
  H      1.45216664     -0.43597149      5.76123111
  O      2.21136358      1.16700415      6.49035319
  H      2.33858206      0.57762458     -0.50387106
  H      1.21390175     -0.87137176      4.30194581
  O      2.19856129      3.27203172      1.18263475
  H      2.07308247      2.06576093     -0.16968606
  H      2.32682817      1.93738092      4.72777673
  O     -1.66282274     -0.09983206      5.82661385
  H     -3.59738771     -2.99215546      5.33827654
  H      1.21520585      2.63034134      3.90841573
  O      0.93238731     -1.03667378      5.21443639
  H     -2.11509530     -2.86101847      4.90414814
  H     -3.18882147      2.04276458      0.79658332
  O      2.09729824      2.23549407      3.83992640
  H     -1.23265401     -3.39237384      1.94639944
  H     -3.65371034      1.67888344      2.21214126
  O     -3.93192978      1.66425850      1.28683009
  H     -0.83295357     -4.86147218      1.67510967
  H     -0.78913898      3.78956132      0.96372715
  O     -0.37824305      4.52999199      1.44248405
  H      0.12245962     -2.70763149      4.99349357
  H     -0.70915558      5.33254569      1.04759000
          69
 Energy    -248.34242254482052     
  O     11.94959476     10.37839187    -10.86108296
  H     12.88874593     10.62043201    -10.93924487
  H     16.59303760      5.93394646    -15.82088070
  O     13.03297837      5.37762113    -15.12470501
  H     11.49848606     11.12857039    -10.48328013
  H     14.71824840      5.44034263    -10.40730253
  O     15.11419244     11.91219869    -13.79759046
  H     12.71160934      4.66366790    -15.66943203
  H     15.28917173      4.77615894    -11.69694765
  O     14.53230219      6.68172832     -8.85040264
  H     13.98380502      5.44797723    -15.30590095
  H     12.23083748      7.22690521    -10.91469474
  O     16.95654058     10.87179195     -9.73730007
  H     14.91489902     11.63609705    -12.89372805
  H     12.10979254      8.60072961    -10.22707967
  O     11.77754590      9.13715207    -13.41948022
  H     14.43685932     11.51294154    -14.35605257
  H     20.03286013      4.61353013    -13.64773544
  O     17.76913632     11.78456380    -14.34273123
  H     14.25807713      6.21984385     -8.06103876
  H     18.56548450      5.06586484    -13.49195154
  O     14.61394582     10.77613599    -11.25051401
  H     13.72821725      7.07735941     -9.22831267
  H     12.57872964     10.73289532    -16.03825472
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  H     17.57221191     10.76682900    -10.48575925
  H     12.62459797      9.99959108    -14.67740339
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  H     17.35148422     11.50976509     -9.14856673
  H     15.20285598      8.58919629    -14.11778891
  O     16.80793197      4.93320796    -12.94982565
  H     11.72106887      9.58910172    -12.56803623
  H     14.56694451      9.22760851    -15.37116821
  O     15.73021778      5.92785022    -15.38385759
  H     12.00100778      8.22063144    -13.22252561
  H     13.30187040      5.88693723    -12.11610885
  O     14.47776738      4.96671599    -11.21215601
  H     16.81102972     11.85151706    -14.18046137
  H     12.75300884      6.14002174    -13.53768226
  O     12.29233986      7.66841434    -10.05913573
  H     18.05039068     12.63182554    -14.67777789
  H     16.87138114      9.04542882     -9.10588744
  O     19.44106263      5.34502193    -13.80552082
  H     15.36207057     10.90291329    -10.65449302
  H     16.09862949      7.71563966     -8.84229304
  O     13.16736894     10.46752971    -15.33695099
  H     14.72948430      9.90072376    -11.65562331
  H     18.86535354      8.45782316    -13.89526065
  O     15.26296991      8.62648028    -15.08496370
  H     18.00872330      7.57679637    -11.96016818
  H     19.55739493      7.20626468    -13.30445012
  O     12.78644483      6.51749403    -12.64674512
  H     17.30048395      7.44334880    -10.55993812
  H     15.75318892      7.89244456    -12.03168426
  O     16.97901949      8.09727510     -8.96469058
  H     18.34170859      7.35911859    -16.10831944
  H     14.24455202      7.68343928    -12.41657163
  O     19.30482124      8.11501941    -13.10185459
  H     18.83810963      6.02090646    -15.52875096
  H     19.00973422      9.77910698    -12.18088247
  O     14.96444198      8.32490333    -12.38791446
  H     16.36314563      5.23800546    -13.75337343
  H     18.34154491     11.06794142    -12.69013174
  O     18.58691813     10.59397929    -11.88553872
  H     16.96081250      5.71237193    -12.38870366
  H     18.03752767     10.07953056    -15.12700321
  O     17.97411012      9.13698162    -15.32440621
  H     15.47440070      6.86027736    -15.32052732
  H     17.02512312      8.94292157    -15.31011748
          69
 Energy    -248.34235252153036     
  O      3.71515583     -2.05671849     -1.28473276
  H      3.64382857     -1.30121212     -0.67997934
  H     -0.43592102     -2.87908475      1.59567499
  O     -2.58584301     -3.75133625     -0.11605181
  H      3.58923960     -1.76266362     -2.19813977
  H      0.46455190     -7.12957031     -2.88789287
  O     -1.26262465     -1.54009974      2.44194468
  H     -1.70983568     -3.81409338      0.28267726
  H      0.71146037     -6.07267584     -1.78678914
  O      1.40307546      1.39266624      2.21704176
  H     -2.58606812     -4.33829058     -0.88814192
  H     -1.47056739     -5.50197341     -2.59678909
  O      0.91161185     -2.33753409     -1.17694991
  H     -1.15353170     -0.77216357      1.85968584
  H     -2.52206235     -4.50333898     -3.15923737
  O      2.90793929     -1.52173454     -3.84612181
  H     -2.19958741     -1.76679938      2.43043266
  H     -0.14860678      1.06173084      1.23991880
  O      2.53368732     -2.82738010      2.14294540
  H      1.35802097      0.64869748      2.84421819
  H     -0.67664611      0.52333747     -0.12074694
  O     -3.68015094      0.14490785      0.23455735
  H      1.68752043      2.15501079      2.71430899
  H      0.88530816     -4.62566570     -3.46092154
  O     -0.59478622     -2.06578474     -5.15072082
  H      0.49664928     -1.48968427     -1.38385529
  H      0.93889611     -3.25430813     -2.76772882
  O     -3.90947165     -2.27908926      1.80430011
  H      1.86820500     -2.20318550     -1.16486350
  H      0.64185693      0.87027092     -5.08987541
  O      3.93565382     -4.34190189      0.16804008
  H      2.26562731     -0.83056649     -4.04295528
  H      0.15966124     -0.56372649     -4.75448592
  O     -0.00718423     -3.54995274      1.04392832
  H      2.42767054     -2.35408057     -3.95148864
  H      0.86139830     -5.12451469      0.32832903
  O      0.30290046     -6.21814832     -2.65858067
  H      1.66014264     -3.12909579      1.86232684
  H      2.31496400     -5.31366596     -0.13551008
  O     -2.34180210     -5.11850037     -2.43901220
  H      3.15467516     -3.38077052      1.65400612
  H     -3.26178920     -0.83705488     -1.21732085
  O     -0.91768546      0.67294209      0.80442762
  H     -3.88839131     -0.56139121      0.85866008
  H     -2.68789687     -2.27135118     -1.24771138
  O      1.06335228     -3.69267778     -3.62252804
  H     -2.82845733      0.50686447      0.51319539
  H     -3.08879452     -2.32344647     -3.35664308
  O      0.63409471      0.21163843     -4.40068813
  H     -0.01832273     -2.71646170     -4.72436310
  H     -3.98660995     -2.84540142     -4.50097127
  O      1.42321617     -5.67016059     -0.23462150
  H     -1.49472473     -2.33491975     -4.93431008
  H     -0.09240529      0.16932760     -2.71314023
  O     -2.84593679     -1.49179324     -1.79742965
  H     -3.56174641     -2.87397836      1.11813354
  H     -1.29053351     -0.51622416     -1.97433311
  O     -3.10392730     -2.89664089     -4.14197002
  H     -4.64498488     -2.72903179      2.21204955
  H      1.75236044     -1.56458538      3.40948316
  O     -0.45493187     -0.04446887     -1.84397550
  H      3.93198645     -3.56444695     -0.41816048
  H      0.27095116     -1.14649571      3.49445633
  O      1.16647007     -0.86764183      3.72973688
  H      4.81917631     -4.70025683      0.14148076
  H      2.62459769      0.33898551      1.12570740
  O      3.15325439     -0.37705730      0.76027911
  H      0.31140790     -3.11033470      0.23488830
  H      2.95432161     -1.15109069      1.30439906
          69
 Energy    -248.34217287526445     
  O     12.98165966     14.24349365    -13.42154674
  H     12.96412783     13.87119980    -14.31535025
  H     12.91453596     11.48306247    -14.97039574
  O     15.56475011      9.41665118    -17.26399278
  H     12.41005317     15.00937781    -13.43846605
  H     15.87211370     12.67085822    -16.62601142
  O     15.20721485      8.86475190    -11.27604180
  H     15.61646175      8.96198721    -18.10164772
  H     15.30303714     11.34600038    -17.20122045
  O     17.90724418     14.97000513    -13.32743836
  H     14.88806251      8.95755852    -16.73775140
  H     13.65455451     12.83641150    -16.40566225
  O     13.77107879      8.29895413    -15.51344635
  H     15.49286909      8.45395347    -12.10381611
  H     12.18651765     13.25352221    -16.65669923
  O     13.84446222      6.48787385    -10.59983938
  H     15.79033081      9.61753798    -11.10911033
  H     19.08707655     11.99109075    -13.02065569
  O     14.70196813      5.08413107    -12.75897355
  H     18.28765132     15.83794526    -13.22614307
  H     18.59615462     13.34496469    -12.49123817
  O     15.82105349     11.21841022    -13.77466108
  H     17.03973444     14.98743674    -12.88422419
  H     12.74596033     13.06430855    -11.89898947
  O     12.69075303      9.88144996    -11.87088823
  H     13.46610906      9.14242122    -15.14881097
  H     12.63908628     11.65173003    -11.26775536
  O     15.78318158      7.50688789    -13.68651965
  H     13.21948803      7.59793008    -15.13559630
  H     17.01656832      8.53918402    -14.57296827
  O     19.24554397     11.37118738    -14.76054169
  H     14.36862659      7.30052793    -10.62752057
  H     16.89389544      9.30182000    -15.92038424
  O     13.22098163     10.76220675    -14.41157048
  H     12.94341268      6.74812905    -10.82851241
  H     12.00282294      6.70431367    -13.31896033
  O     15.11971811     12.28650301    -17.09965648
  H     14.98136673      4.19597498    -12.55597098
  H     13.16801706      5.78828323    -13.72598214
  O     12.81719480     13.07319337    -15.96501056
  H     14.42139493      5.49185438    -11.91958977
  H     14.20501173     12.98282441    -10.18856754
  O     18.79570915     12.44331601    -12.21559223
  H     16.39978112     10.55860794    -14.18134864
  H     14.96374113     13.44332316     -8.91761688
  O     12.75976630     12.58722064    -11.06066420
  H     16.06748533     11.28581856    -12.84293173
  H     17.38904002     13.90722463    -14.78347337
  O     17.37548614      9.27827345    -15.08341716
  H     13.56773452      9.56274514    -11.60876622
  H     16.60650417     12.58078263    -14.72889857
  O     12.47842178      6.36007895    -14.08523612
  H     12.76479867     10.18326975    -12.78817202
  H     16.15897854     11.91264887    -10.59710269
  O     15.08142848     13.22482614     -9.83792186
  H     15.56956821      6.60634414    -13.41308620
  H     17.46954173     11.62426888    -11.39848774
  O     17.05988239     13.18695923    -15.33475354
  H     15.08709293      7.77640673    -14.30255576
  H     11.74535385      8.38791290    -11.72958547
  O     16.62470787     11.24191965    -11.11075242
  H     18.65818209     12.03660472    -15.14014660
  H     10.50222231      7.56675206    -11.31582687
  O     11.37881935      7.48838164    -11.68317832
  H     18.78500341     10.53180223    -14.88804329
  H     14.68328125     14.64724004    -12.63152607
  O     15.48770605     14.84550500    -12.13905072
  H     14.14601271     10.95970743    -14.18476487
  H     15.41463607     14.37026625    -11.30221753
          69
 Energy    -248.34190062474656     
  O     18.93817375      8.66634237     -7.12735245
  H     19.07092040      7.75673719     -6.83334730
  H     19.75585918      5.55055140     -7.03923637
  O     18.56035950      4.79707676    -10.22300890
  H     19.78071474      8.99164229     -7.46582679
  H     17.59328256      8.99260473     -8.18243782
  O     19.72520599      5.84449416    -13.49318541
  H     18.65231377      5.75666892    -10.32624292
  H     16.31925269      8.39142088     -8.89460345
  O     18.53045370      8.32711273    -13.15119382
  H     18.16405795      4.49644747    -11.04836121
  H     20.78620024     10.25093319     -9.18689746
  O     22.02513199      6.89761912    -12.40956068
  H     19.01209296      5.22693138    -13.29926427
  H     21.85205836     10.42644723     -8.07917743
  O     17.25310978      4.52966608    -12.64573003
  H     19.28626256      6.70165883    -13.59463247
  H     16.31782080     10.07154034    -12.13048636
  O     20.98534907      9.57757187    -12.77824157
  H     17.66430449      8.73537459    -13.23728410
  H     15.41466217      9.98995608    -13.38355690
  O     20.69121454      4.98536991     -8.38791713
  H     18.60474500      8.03751206    -12.22646910
  H     13.99932803      4.11348703    -12.04468186
  O     14.97268742      3.32136625     -9.08528584
  H     21.24184212      6.44818289    -12.77273454
  H     14.17932408      5.63702658    -12.12320803
  O     21.45780705      7.30348742     -9.69595003
  H     22.78213553      6.50137308    -12.83353654
  H     14.46397352      6.49802438     -9.10416126
  O     18.78172008      7.54248539    -10.49641320
  H     16.62987461      3.81437586    -12.46561524
  H     15.92657194      6.22843325     -8.66965563
  O     19.14605746      5.91655944     -6.37291260
  H     16.76461558      5.35012599    -12.48457986
  H     15.70232693      7.66984203    -12.25261504
  O     16.98074591      9.09521224     -8.92817655
  H     21.51585927      8.77697267    -12.70427106
  H     15.62728228      6.81812673    -10.95810213
  O     21.24651039      9.79520573     -8.45792713
  H     20.11781292      9.26317565    -13.07170052
  H     19.05286063     10.97264359    -10.73417215
  O     15.97071527      9.46960724    -12.80873386
  H     21.10809738      5.76338566     -8.78596904
  H     20.39391073     10.51436461    -11.35959019
  O     13.51456212      4.94640203    -11.99010480
  H     20.06043885      4.67564542     -9.05103333
  H     17.60803893      5.25959975     -7.30292770
  O     15.35225702      6.87475441     -9.10682881
  H     15.67770431      3.74489783     -8.57897496
  H     17.54460035      4.81358827     -8.78211760
  O     15.64773619      6.76604045    -11.92370379
  H     14.22571317      3.93131414     -9.05111947
  H     13.04993620      5.23456583    -10.32363076
  O     19.99595260     10.90234761    -10.56462027
  H     21.78340346      7.25265669    -10.60455103
  H     12.04479321      5.41783451     -9.15983964
  O     17.00325517      4.95669036     -7.98876079
  H     21.59264523      8.19079805     -9.34072402
  H     16.80080855     11.87375870    -10.40866612
  O     12.97508651      5.38450918     -9.36381835
  H     19.69051235      7.55874096    -10.16727353
  H     16.99326369     10.37716730    -10.06119816
  O     17.04818297     11.03135333    -10.78243671
  H     18.23865989      8.07976455     -9.90904460
  H     15.15820581      1.76730877    -11.85849565
  O     15.28663785      2.70334146    -11.72935369
  H     19.43497306      5.58750317     -5.52580156
  H     15.22736685      2.86272056    -10.77054971
          69
 Energy    -248.34168280191858     
  O     18.31410437     10.97326554    -17.16373317
  H     17.98570009     10.29465411    -16.55098596
  H     16.85016347      5.96540212    -15.89924490
  O     15.37736503      5.98112792    -13.15492199
  H     17.55336838     11.46409952    -17.50952439
  H     17.74151726      7.52847632    -11.61961478
  O     16.56879852     13.45351956    -12.23866395
  H     15.52949499      5.93415941    -14.11567003
  H     17.12275529      6.35415933    -12.39177594
  O     21.26142525      9.13299425    -13.98821136
  H     14.97025123      5.15646402    -12.90259331
  H     20.61235476      8.78100815    -17.20025628
  O     15.04650782      7.94204032    -17.71186606
  H     17.09574212     13.26832850    -13.02488645
  H     20.05996841     10.17931741    -16.88198959
  O     13.88768644     11.03252112    -11.49769545
  H     15.65530763     13.53917889    -12.53958910
  H     18.01866903      9.34560083    -14.57512435
  O     14.75269906      8.68141659    -12.79485100
  H     22.18118796      9.31371668    -13.81307019
  H     17.90703440      8.13199173    -15.55845080
  O     17.83134545     12.41316315    -14.60714040
  H     21.12335632      9.28111783    -14.94099279
  H     15.73877764     13.04069350    -18.48600022
  O     20.10255811      6.50024622    -13.75098149
  H     14.24653054      7.92064198    -18.23206206
  H     15.58483869     12.40424958    -17.09202033
  O     14.91149736      9.51940363    -15.45742180
  H     14.87298706      8.53328249    -16.96067061
  H     16.90412675     10.06870381    -10.82914283
  O     18.57280477      6.48043434    -15.97690533
  H     14.05179145     10.16540379    -11.89157758
  H     16.29813683      9.10037348    -11.87692702
  O     15.88629181      5.90580165    -15.81560054
  H     14.62884721     11.20232242    -10.90312049
  H     16.50386974     12.35137785    -10.86486768
  O     17.95158600      6.67476414    -12.01716629
  H     14.70240231      8.97630474    -13.71412876
  H     16.53145561     12.13557635     -9.33265498
  O     20.75224207      9.55313260    -16.63786387
  H     14.86335760      7.72204761    -12.82932324
  H     19.72233464      9.88430097    -13.32426122
  O     17.55762678      9.00848992    -15.35322854
  H     18.21132712     11.71392572    -14.05056262
  H     18.36273566      9.89192617    -12.50770913
  O     16.05425703     12.32673704    -17.93767738
  H     18.17448160     12.24567001    -15.48974967
  H     13.76110995     12.42766929    -12.51974958
  O     17.10096854      9.29511445    -11.37146644
  H     19.41575176      6.53319351    -13.06670876
  H     13.06506784     13.76811876    -12.86107948
  O     16.34080779     11.70061053    -10.15927587
  H     20.56547710      7.34457008    -13.72897682
  H     19.10443719      7.76181525    -18.57218449
  O     18.84644397     10.28331324    -13.24784025
  H     14.86095935     10.48341003    -15.45062289
  H     20.31513312      6.91604826    -19.03897546
  O     13.82069666     13.22760705    -13.07346223
  H     15.85466919      9.29026922    -15.38473512
  H     14.57825943     12.66300403    -14.63716630
  O     19.93773879      7.35059390    -18.27917309
  H     19.16362163      6.38330025    -15.21321301
  H     16.04727420     12.33506400    -15.02315007
  O     15.13128338     12.29479582    -15.33691850
  H     19.11312329      6.63566710    -16.75907485
  H     17.80529599      9.51995077    -18.45910716
  O     17.61880852      8.65039370    -18.82953364
  H     15.53122416      6.47570477    -16.50502475
  H     16.75404151      8.39002909    -18.48900729
          69
 Energy    -248.34166048367928     
  O     13.66230040     12.98425991    -13.06395133
  H     13.17029646     12.25187346    -13.45575874
  H     17.61386889     11.24166533    -15.95005881
  O     17.62529053      7.06086636    -14.67649718
  H     13.86892612     13.56598773    -13.80773671
  H     14.42981285      8.96239254    -17.81964084
  O     19.62278300     11.34128708    -13.06927059
  H     17.01865422      6.38672555    -14.34725168
  H     12.92502927      9.09680974    -17.51378826
  O     17.20157040     14.35928160    -14.66638231
  H     17.23972348      7.37637590    -15.50130462
  H     17.17477966      9.86319752    -13.00398234
  O     15.55839876      5.34687141    -13.65259391
  H     19.43380585     10.39797829    -12.96776658
  H     16.47738051     11.26859443    -12.89205387
  O     16.66892256     10.51016021     -9.73404845
  H     19.35486702     11.75563422    -12.24130260
  H     13.25864880     11.10332976    -15.24968962
  O     15.20478471      6.91943934    -11.48779792
  H     17.79741112     13.74213367    -15.10936945
  H     12.13791311     10.07387518    -15.03920250
  O     11.79911972      8.45733132    -16.04183835
  H     16.35516134     14.34397885    -15.12987546
  H     18.31786450      8.40455609    -11.87975224
  O     17.48796580      8.00633852    -10.24037763
  H     15.54556448      4.41714016    -13.44429978
  H     18.33252652      8.12648877    -13.42255933
  O     15.92636771      8.20719386    -16.76182202
  H     15.44598087      5.83023292    -12.81310285
  H     14.90284928      9.59350164    -12.87634063
  O     13.99575104      7.33178408    -14.83547221
  H     15.79014459     10.83701716     -9.96909844
  H     13.42062122      9.73277946    -13.29731087
  O     16.79850712     10.72846777    -15.91349575
  H     17.29983123     11.20136898     -9.96588431
  H     15.44140594     13.05667797    -12.50200092
  O     13.64313065      9.48262302    -18.02925198
  H     14.68301453      7.69113689    -11.73625636
  H     16.74527185     13.58008546    -13.16948605
  O     16.38849471     10.37325239    -13.24166523
  H     15.97672969      7.25340104    -11.01239302
  H     19.85875243     12.46995379    -16.01146404
  O     12.64629227     10.75616920    -14.58425122
  H     12.52052035      7.93585081    -15.65019437
  H     19.28826483     12.00392511    -14.65209293
  O     18.57609955      8.76703194    -12.73609967
  H     11.04822718      7.87420204    -16.11963490
  H     17.68439940     12.83149747    -11.27181015
  O     14.01657975      9.21597358    -12.73709386
  H     17.18232242      8.90391490    -10.01145624
  H     18.73682444     13.30338836    -10.24099983
  O     16.40244603     13.06398154    -12.42318585
  H     17.91167773      7.65383991     -9.46243686
  H     14.02284818     11.06593210    -17.24605694
  O     19.04395713     12.34002340    -15.53356883
  H     16.27588973      9.07938262    -16.52585831
  H     15.25097404     11.44831705    -16.38945521
  O     18.42971977     12.53641844    -10.71832047
  H     15.27658547      7.96467980    -16.08778036
  H     13.93112914     10.46057772    -11.21374127
  O     14.34622522     11.71760642    -16.60806822
  H     14.03566972      7.94171763    -14.08647314
  H     13.82919152     11.98215456    -11.22049480
  O     14.09656167     11.23997820    -10.66969717
  H     14.44241908      6.52507952    -14.54874859
  H     14.00208184     14.88095887    -16.06526999
  O     14.45175724     14.22132774    -15.54255676
  H     16.62366965     10.57022335    -14.97320085
  H     14.36502404     13.37859002    -16.02020474
          69
 Energy    -248.34150539578820     
  O     18.39761843      9.00713356    -10.82731925
  H     18.01719835      8.19111513    -10.47586300
  H     18.91911534     10.12128944     -9.53625326
  O     19.21837437      3.18821043    -11.68321244
  H     17.72027219      9.45864544    -11.34734170
  H     20.40575620      9.75696699    -13.06365444
  O     21.56999550      6.83210441    -11.75998811
  H     19.09656745      2.24384859    -11.71956309
  H     19.55335711      8.89427998    -12.11400522
  O     15.41002110     10.24009479     -9.93746049
  H     18.38480947      3.59384030    -11.98524098
  H     20.12404018      4.25589320    -13.04903762
  O     22.74494581      8.32342238     -9.67002547
  H     22.10389276      7.26423502    -11.08206729
  H     20.98758428      5.52727029    -13.06136405
  O     16.47444878      8.59408406     -7.98724309
  H     21.12801269      7.54678489    -12.24121269
  H     17.39612586      5.38600211    -12.89343966
  O     20.65254447      7.24520707     -8.04837246
  H     15.80903925     11.10029286     -9.76010025
  H     16.29169429      4.79769832    -11.97871381
  O     19.04463129      8.96894899     -6.70833347
  H     15.73568833      9.66149784     -9.22893538
  H     15.97379006     10.33732130    -11.67787478
  O     17.42432821      6.65914803     -9.73755879
  H     23.65370972      8.44089936     -9.40645772
  H     16.25604650      9.63642101    -13.05159005
  O     17.14851472     12.50114625     -9.44062978
  H     22.39221826      9.21057856     -9.86389636
  H     15.43691788      7.84038735    -14.68183390
  O     18.30805532     12.43602420    -12.09128864
  H     16.74413351      7.82334563     -8.50684407
  H     16.72679451      7.57051712    -13.87971001
  O     19.17557200     10.75129038     -8.84305955
  H     17.23872389      8.78925183     -7.43416130
  H     21.45249598     11.07121575    -11.06045275
  O     20.08209881      8.86005709    -12.92887844
  H     21.40402131      7.62392557     -8.52115295
  H     20.86265304     10.87355492     -9.64790955
  O     20.40441187      4.98758286    -13.61138147
  H     20.35823441      6.49907218     -8.58451180
  H     14.83871139      7.99642621    -12.21692990
  O     17.04833278      4.56305425    -12.52964002
  H     19.25433431      8.91388550     -5.78022414
  H     14.59030805      8.70680593    -10.85661483
  O     16.53166714     10.35452221    -12.46986365
  H     19.60371146      8.30981382     -7.15899010
  H     18.88016553      7.61266388    -13.59478556
  O     15.86439507      8.01680483    -13.84697151
  H     18.23210651      6.13794439     -9.83929054
  H     18.99583825      6.11997365    -13.90151661
  O     21.66253758     10.75012968    -10.17563438
  H     16.68127355      6.12881240    -10.04597909
  H     21.19992235     12.22842160    -13.35104900
  O     14.39211897      7.91178285    -11.36480444
  H     17.07936458     13.21381857     -8.81021572
  H     19.91856342     11.94741412    -12.53292948
  O     18.34702762      6.83201459    -13.79780961
  H     17.88226955     11.93561441     -9.14339617
  H     14.74571538      6.28344584    -10.89608967
  O     20.79473208     11.59227299    -12.76794316
  H     17.68366945     11.76974035    -12.41344342
  H     14.41578111      4.95492416    -10.17363331
  O     15.08825836      5.39657397    -10.68475256
  H     17.98057289     12.66616461    -11.21525256
  H     19.70004507      4.54083045    -10.48357923
  O     19.86102433      5.39279382    -10.06016115
  H     19.17667483     10.25417703     -8.01547859
  H     20.42562131      5.89370776    -10.66669650
          69
 Energy    -248.34149279446308     
  O     13.04946093      9.40393325    -11.27952295
  H     13.45013642      9.99791042    -10.63016136
  H     13.40618282     16.18369426     -8.60470980
  O     13.43898288      6.39695499    -13.72045107
  H     13.76728348      8.91239948    -11.69318445
  H     10.84771781     12.08662631    -11.60009370
  O     11.27188522     10.71633880    -12.86424798
  H     13.48990806      5.75951356    -14.42760370
  H      9.85974240     12.47779332    -10.48475370
  O     14.33429449     11.09633976     -9.52580532
  H     12.98510797      7.17968110    -14.08318394
  H     11.24940643      9.30056088     -7.44615242
  O     15.09233396      6.55701582     -9.83229488
  H     11.89575114     10.22745779    -12.30165305
  H     11.31168925      8.02641300     -6.57117375
  O     12.01299161     14.76309656    -12.49949457
  H     11.80572448     11.36964740    -13.33814232
  H      9.84937588     11.04429882     -8.22772894
  O      9.22861976      9.43501714    -11.31630170
  H     13.67082567     11.68683829     -9.14169878
  H     11.24641442     11.58361342     -7.86699291
  O     13.10634435     12.57838644    -13.78239789
  H     14.45460804     10.33996787     -8.93216615
  H     14.61573862      8.00165446     -8.65796632
  O     14.69160278     14.97512898    -11.33828155
  H     14.26449919      6.18323045    -10.18595595
  H     13.45885340      8.59224394     -7.81735091
  O     11.14941855      7.77059100    -10.09307004
  H     15.58929731      5.83020727     -9.46577789
  H     15.70416239     11.66075879    -12.32229300
  O     15.26860890      7.93635468    -12.26926714
  H     12.82876103     14.95287317    -12.02178890
  H     14.93992258     11.89181126    -10.99115001
  O     13.58973062     15.26255892     -8.77393442
  H     11.46153152     14.24302350    -11.89978231
  H     11.76334109      9.24244876    -14.18799415
  O     10.65497251     12.77182099    -10.94782501
  H      9.77240517      8.75345027    -10.89772783
  H     13.07639935      9.25229587    -14.98291171
  O     11.61596879      8.39864668     -7.39441752
  H      9.77523873      9.82674103    -12.00819159
  H      7.63414197     11.53729947     -9.52861109
  O     10.61313804     10.88286392     -7.66128275
  H     12.67565432     13.41138934    -13.54562499
  H      8.72684925     10.67032856    -10.20136292
  O     14.35726505      8.76412023     -8.12694968
  H     13.78923546     12.43846459    -13.11184879
  H     13.90865691     11.32226739    -14.94165110
  O     15.16842591     12.30170393    -11.83969842
  H     14.93417874     14.05130953    -11.51478114
  H     15.12416321     10.41652135    -14.69127696
  O     12.36944884      8.66942925    -14.66497755
  H     15.28376364     15.51321545    -11.85887938
  H     17.35373034     10.05240780    -13.46658859
  O      8.57772100     11.42360065     -9.60108043
  H     11.22329932      7.88800955     -9.13737807
  H     16.08121664      9.38750306    -12.89580070
  O     14.34432813     10.51510679    -15.24864675
  H     11.83192379      8.33718934    -10.48517178
  H     12.89491092      5.85964833    -11.95774078
  O     16.43753029     10.21682291    -13.25646624
  H     15.36372961      7.48693758    -11.41871014
  H     12.09527661      6.29019656    -10.70264437
  O     12.80719934      5.71105854    -11.00824543
  H     14.74743780      7.35636268    -12.84212652
  H     11.78477955     12.84431738     -9.51857524
  O     12.34004879     12.80872785     -8.72644207
  H     14.03786683     15.22988831     -9.63240826
  H     12.73643203     13.68325084     -8.61469674
          69
 Energy    -248.34138145878737     
  O     -8.02194469     -2.44467613      5.82349161
  H     -8.47584722     -1.72343444      6.27604546
  H     -4.59926256      0.50505229      1.15690324
  O    -10.88958234     -1.81678945      2.49930905
  H     -7.07527319     -2.27518689      5.89089190
  H     -7.43109038     -0.61182480      2.94247298
  O     -8.96856066     -3.65626085      3.59637126
  H    -10.32648768     -2.52310067      2.83572411
  H     -7.10396677      0.37651328      4.11102165
  O     -5.88051440      0.58541812     -0.03740671
  H    -10.84413325     -1.11855799      3.16715407
  H     -4.89185666     -1.96927262      4.90409356
  O     -6.00299393      0.72969095      5.56086555
  H     -9.11926123     -4.57799323      3.78726155
  H     -4.55062699     -2.39772109      6.35285230
  O     -4.27749066      4.86396188      1.34604149
  H     -8.66966123     -3.24320613      4.42702160
  H     -1.49741316      2.66616101      1.98278802
  O    -10.42598180      2.32190953      0.75376404
  H     -6.41514954     -0.17526672     -0.29344358
  H     -2.85312921      1.94966213      1.79088417
  O     -9.50064132     -0.29222056      7.00458684
  H     -6.50537048      1.22592575      0.32976602
  H     -8.58873656      5.03556170      5.05546488
  O     -4.52317945     -1.93161298      3.22438056
  H     -5.62044994     -0.13650459      5.74670485
  H     -7.73505251      4.15948351      4.11857426
  O    -10.26512796      0.19865900      4.33584757
  H     -5.33520772      1.27995821      5.12794909
  H     -9.95800094      3.28401585      3.85471425
  O     -7.68688063     -1.58107983     -0.48489506
  H     -3.58582882      4.20270471      1.49600903
  H    -10.64678296      1.90378195      3.79784355
  O     -3.95845506      0.52299168      1.88639862
  H     -4.25826485      5.05127355      0.40962703
  H     -7.26914081     -2.10199691      1.22101557
  O     -7.66127868      0.24111080      3.33459991
  H    -11.03612893      2.85782683      0.25497109
  H     -7.72094133     -2.80595297      2.54760462
  O     -5.18468078     -1.91249046      5.83242953
  H    -10.58446940      2.51791314      1.69516315
  H    -10.38882068     -0.97562529      0.99333204
  O     -2.44028113      2.80920881      1.98219469
  H     -9.98775148     -0.30572941      7.82390696
  H    -10.22556830      0.44376450      0.38760955
  O     -8.47834565      4.14003706      4.74251088
  H     -9.04958414      0.57048089      6.95961300
  H     -8.32462421      2.75352642      6.07610739
  O    -10.65033169      2.78809596      3.40366007
  H     -4.16703526     -1.17856047      2.73925625
  H     -7.32889778      1.61814548      6.38450934
  O     -7.05390091     -2.22876592      2.15407360
  H     -5.36532359     -2.14256151      2.79446495
  H     -5.17559587      2.97175061      3.68654954
  O    -10.01115574     -0.48396927      0.24811229
  H    -10.16528402     -0.00444004      5.27267821
  H     -3.65893790      2.67397465      3.59820298
  O     -8.15522621      2.02629660      6.68460265
  H     -9.36957830      0.20151486      3.96386695
  H     -8.60829993      2.27948619      1.05094727
  O     -4.47913293      2.37805027      4.00478036
  H     -7.82452299     -2.09532769     -1.27513892
  H     -7.73388357      1.47373054      2.05473740
  O     -7.70641185      2.16388596      1.37267304
  H     -8.54171419     -1.16258345     -0.26860923
  H     -6.88900227      3.41641582      2.28868494
  O     -6.42687243      4.02732776      2.88510929
  H     -4.37168955      0.99536794      2.62041550
  H     -5.74427720      4.46849322      2.36149029
          69
 Energy    -248.34137436105613     
  O     12.98632639     13.37173894    -14.84475202
  H     12.29849812     13.87304071    -14.41497444
  H     14.01418119      6.20229136    -15.27310344
  O     17.03724194      5.98979528    -13.77995440
  H     13.49013887     12.92507045    -14.14132724
  H     17.04023591      9.10594394    -19.00477884
  O     18.79917816      9.76155071    -12.62185532
  H     16.15211173      5.60933153    -13.74903737
  H     15.68608754      9.12966047    -18.25366904
  O     17.01011313     13.36689778    -13.24028745
  H     17.01862647      6.64712545    -14.48949289
  H     14.44118413      9.20900606    -13.84647260
  O     14.27549388      5.14140699    -13.75731909
  H     18.68516780      8.86515656    -12.29392926
  H     15.52972608      9.08700911    -12.73598679
  O     15.50140303     10.56702997     -9.44583643
  H     18.46106122     10.36354622    -11.94019946
  H     14.49975444     11.17268423    -16.29236305
  O     13.53280397      6.82672987    -11.78344795
  H     16.61875764     13.86226038    -13.97557258
  H     13.16839094     11.87082851    -15.96172298
  O     14.57147396     12.07873650    -13.01178763
  H     17.58933333     12.71689770    -13.66066394
  H     17.84486399      6.66190835    -12.40508021
  O     13.96728101      8.83367776    -18.05342722
  H     13.97329000      4.25995302    -13.55587643
  H     18.86280844      6.54363727    -11.24336395
  O     15.76664853      8.31124753    -11.08774599
  H     13.97296332      5.71555982    -13.03022491
  H     11.97516620      9.02454294    -13.02631694
  O     16.59382069      8.04709986    -15.61997769
  H     14.63957507     10.76062476     -9.85642201
  H     10.73196332      8.94071673    -12.11075249
  O     14.03287011      6.93277068    -15.90427308
  H     15.39962687     10.70758816     -8.50842770
  H     19.32854820     11.60628869    -15.02080902
  O     16.63419009      9.33968574    -18.17492056
  H     12.82661722      7.48155408    -11.78979915
  H     18.57154721     10.72378331    -14.00457786
  O     15.33081951      9.48836459    -13.59288796
  H     14.31580130      7.28635518    -11.44738235
  H     16.91315648     11.40951488    -10.43342404
  O     13.53915404     11.04533642    -16.29646135
  H     14.85183146     11.18679694    -13.26244322
  H     17.41174836     12.39759612    -11.52100622
  O     18.22304765      7.12940451    -11.63794077
  H     15.38021483     12.60729525    -12.99572775
  H     16.48993727     10.89930252    -17.16987423
  O     11.68432323      8.99780841    -12.09807141
  H     13.64305997      9.61083242    -17.57886401
  H     17.00470039     11.42747220    -15.81051328
  O     18.45429762     11.38929842    -14.70634083
  H     13.82277405      8.07935002    -17.46835896
  H     13.61271572     11.51255369    -11.55730965
  O     17.68138715     11.66299715    -10.95858993
  H     16.64812070      7.91830813    -11.12698226
  H     12.65859134     10.35713077    -11.17317009
  O     16.29081337     11.51910149    -16.45711552
  H     15.77117765      9.02608933    -10.43939538
  H     14.74169228     14.12489734    -15.42957032
  O     13.21684533     11.05126879    -10.80393900
  H     16.76429089      8.51046542    -16.44664986
  H     15.93004530     13.36297115    -16.02191970
  O     15.69518828     14.17852282    -15.55878052
  H     16.29787425      8.69496949    -14.96291272
  H     12.92605814      9.75750721    -15.18878760
  O     12.74069179      9.00715193    -14.60629912
  H     14.93735576      7.27873807    -15.87052307
  H     13.04973086      8.21108526    -15.06100158
          69
 Ord_Energy   -248.341171    
 O   -6.11624289       3.12177038       4.79310608    
 H   -5.87691784       3.89776659       4.25766373    
 H   -7.06510782       3.13440824       4.88713408    
 O   -2.45914459       6.61043358      0.446700871    
 H   -2.25591898       5.66420174      0.500323713    
 H   -2.34446454       6.96905947       1.33811045    
 O    2.09418058       2.80833364       3.91874599    
 H    1.24419439       2.40586948       4.17560911    
 H    2.74845791       2.48657703       4.53260326    
 O  -0.728937864      0.459580809       1.78875387    
 H  -0.431681782     -0.440872133       1.67531836    
 H    8.02361034E-03   1.02534306       1.49971795    
 O    1.42896008       2.03169203       1.23098052    
 H    1.32881832       2.87067580      0.763477325    
 H    1.80265450       2.25349808       2.09300137    
 O   -4.17976999       1.25331330       3.91849947    
 H   -4.93339920       1.78133786       4.21427155    
 H   -3.63257551       1.08211577       4.69622326    
 O   -1.88718975       7.54835033       3.03352094    
 H   -1.65264821       6.76124334       3.54812789    
 H   -1.04158974       7.92315912       2.74944949    
 O   -3.01882744       5.90208673       6.31811237    
 H   -2.21677828       5.72522497       5.80628490    
 H   -3.50910091       6.55566883       5.80948544    
 O   -2.87292528       3.66058159       3.15089321    
 H   -3.18847418       2.78262234       3.39116049    
 H   -3.63681912       4.25047922       3.21007752    
 O   -4.01092052       3.36272025       6.75927305    
 H   -3.67474818       4.26865053       6.69077826    
 H   -4.80778122       3.32738924       6.21951389    
 O   -5.20593357       5.21604872       3.29452205    
 H   -4.98242092       6.08229065       3.65616965    
 H   -5.26534510       5.29169655       2.32945037    
 O   0.736017525       4.59572506      0.281540602    
 H   0.678579211       5.45295382     -0.154721200    
 H  -0.176521227       4.27226830      0.357126862    
 O   -1.05242181       5.30625534       4.41248798    
 H   -1.58680594       4.59258270       4.03516150    
 H  -0.191341296       5.28514385       3.97622895    
 O   0.665670693       7.99170303       2.12230039    
 H   0.611333787       7.84139252       1.17109382    
 H    1.04506326       7.18408918       2.49421620    
 O   -2.47915053       1.24061215       6.15311813    
 H   -2.41148758      0.678741574       6.92040682    
 H   -2.96877289       2.03629756       6.43279791    
 O   -4.28084135       7.65495110       4.33554983    
 H   -4.62003326       8.53352356       4.48606157    
 H   -3.44313812       7.75734997       3.85186219    
 O    4.48409989E-02   7.21821880     -0.603277147    
 H    3.30205001E-02   7.73206234      -1.40685689    
 H  -0.881604135       7.08961439     -0.340367526    
 O   -4.19327164       2.78297067     -0.498976499    
 H   -4.01919794       2.05064368      0.120860271    
 H   -4.47433805       2.38585567      -1.31877911    
 O   -1.88146770       3.89336061      0.601819098    
 H   -2.56461954       3.48763871       5.49577810E-02
 H   -2.15337825       3.74945211       1.52059782    
 O  -0.277984202       1.60098469       4.38875198    
 H  -0.557980180       1.16965234       3.57227945    
 H  -0.998956978       1.50862849       5.02155209    
 O   -5.04510736       5.33007383      0.576474369    
 H   -4.28734398       5.89786625      0.389857322    
 H   -4.84608936       4.47135210      0.182319328    
 O   -3.48815393      0.851985335       1.24858522    
 H   -2.53524876      0.730168283       1.34997368    
 H   -3.84611201      0.863849998       2.14628124    
 O    1.31969273       5.31111670       2.93621325    
 H    1.13614702       5.06707096       2.01787138    
 H    1.72243655       4.53256083       3.34204721    
          69
 Energy    -248.34104642519878     
  O     18.11875555      9.93476961    -11.27272303
  H     17.51947522      9.39948508    -10.72523528
  H     19.08060527      4.83183081    -11.67504702
  O     13.20073388      5.75563168     -9.72789150
  H     18.12663985     10.82058300    -10.89113241
  H     14.98717432      5.66259217    -10.30314523
  O     18.00784040     12.31028879     -9.82571599
  H     13.00772431      6.34995859    -10.47643837
  H     15.65301970      6.16294022    -11.61943934
  O     12.99080233      7.54978918    -11.74243258
  H     12.50740932      5.10173909     -9.70555957
  H     20.21945814      6.10272236    -13.14189681
  O     16.81372280      9.34127453    -13.61495869
  H     18.36764573     13.18818428     -9.91767021
  H     20.49001975      7.43993065    -12.44004856
  O     19.97656101      7.98000006    -10.68942798
  H     18.44472542     11.90222867     -9.05462338
  H     16.24351929     11.17823588     -5.51098439
  O     20.51202477      8.63572379     -8.06384348
  H     13.68847379      7.35514769    -12.38359235
  H     16.12190702     11.08640771     -7.05207990
  O     18.51256274      5.60021097    -10.17336148
  H     13.23141299      8.38855319    -11.33254626
  H     19.39592236      7.66616953    -14.50975911
  O     15.50026204     11.67648038     -8.57324648
  H     17.43208056      8.93487076    -14.23460907
  H     19.15025129      8.10037317    -15.97384735
  O     14.57279205     10.79782482    -12.84451191
  H     17.33001879      9.59228288    -12.83409815
  H     16.48351063      8.34782710     -8.86447969
  O     14.12194063      9.83365528    -10.31172193
  H     19.39013134      8.70671158    -10.94765518
  H     16.25033815      7.51079678    -10.14734575
  O     19.32340133      4.52929820    -12.56639578
  H     19.42648636      7.19632725    -10.54541701
  H     18.30095628     10.87398881     -7.07785951
  O     15.83650217      5.84283602    -10.72355666
  H     21.43708963      8.53590274     -7.85078108
  H     19.53767240     10.21440931     -7.75025179
  O     20.48146111      7.01763478    -13.30806693
  H     20.42066182      8.42872126     -9.00893201
  H     15.31546606      7.96702383     -7.27336583
  O     16.58013228     10.71756125     -6.27482095
  H     18.58355846      5.79291227     -9.22643958
  H     16.38754696      8.92454427     -6.67996171
  O     18.70730751      7.92763909    -15.14723766
  H     17.56583281      5.57912867    -10.37553190
  H     15.77593244      7.82519742    -13.29746358
  O     16.43958200      8.40209970     -9.82815879
  H     14.92110358     11.17274829     -9.15572793
  H     15.89679382      6.34017130    -13.68883227
  O     19.03389220     11.03466128     -7.68518475
  H     16.24997838     11.96447618     -9.10922586
  H     17.77034278      6.94979423     -7.30565729
  O     16.26250287      8.05766892     -7.08662689
  H     14.02202296     11.04233435    -13.58469431
  H     19.25813917      7.23071213     -7.58750114
  O     15.34473535      6.96670023    -13.19699338
  H     15.34899763     10.35647411    -13.22249883
  H     13.44590654      7.18650600     -8.48525408
  O     18.59276409      6.53270776     -7.59551164
  H     14.93269407      9.32150914    -10.16280551
  H     13.56742817      8.70801246     -8.66215980
  O     13.65474807      8.00249894     -8.01240754
  H     14.22470857     10.27340617    -11.17000041
  H     17.77811917      6.26011114    -14.79432238
  O     17.31271674      5.50403840    -14.41473350
  H     19.64368153      3.63561587    -12.47263600
  H     17.94217881      5.08259409    -13.81744926
          69
 Energy    -248.34097269378930     
  O      3.34031814      7.53663075     -3.50283750
  H      4.30641141      7.52273072     -3.42504009
  H      6.06273265      8.59872226     -4.20535008
  O      2.58355667     12.27727889     -0.03180189
  H      3.14528964      8.16912446     -4.20756408
  H     -0.28145818      8.82579933     -5.35411927
  O      7.43606790      9.14695816     -1.26076271
  H      3.28778195     12.17457917      0.62201590
  H      0.45742057      7.52034351     -5.02428710
  O      0.82903666     10.32849493     -0.97997236
  H      2.75580825     13.09383850     -0.51984851
  H      4.69664901      9.49747307     -5.83517999
  O      3.30519100     14.33079930     -1.84103313
  H      8.19775454      8.74703121     -0.85030472
  H      5.99765247      9.29207773     -6.63748679
  O      6.63207171     11.66404703     -2.21301794
  H      6.72938442      9.16081190     -0.58934375
  H      6.52966050     12.12520650     -3.98297060
  O     -0.83301528      8.35949534     -2.18392711
  H      1.32356971     10.98078529     -0.46495892
  H      6.03728940     11.42337935     -5.26256043
  O      3.95370657     10.98447135     -2.15268545
  H      0.55287930     10.80595281     -1.77484505
  H     -1.39486338      9.28712024     -3.54597430
  O      5.73148634     13.64170861     -0.43228219
  H      3.67034085     14.26442045     -2.73232595
  H     -2.49794436      9.81325479     -4.49788384
  O      0.84317081      6.42184231     -3.45814086
  H      2.35484350     14.47936298     -1.96291699
  H      0.31581039     13.50257266     -2.56588055
  O      4.89984837     11.94777932      1.50988943
  H      7.09624712     10.87907240     -1.89952791
  H     -0.20210789     14.70298090     -1.75889513
  O      6.01402611      7.98935585     -3.45881606
  H      5.69218746     11.42077904     -2.22678256
  H     -0.50160686     11.24628152     -3.72564464
  O      0.41567822      8.23743623     -5.66865300
  H     -0.25641003      7.65050393     -2.49604609
  H      0.95633498     11.80367260     -3.76475766
  O      5.65802467      9.63588214     -5.81389677
  H     -0.30637600      8.91550874     -1.59561026
  H      3.03751798     12.63182352     -4.62854063
  O      6.20371243     12.29235000     -4.87887254
  H      3.52944292     11.53079771     -1.47824800
  H      3.10822097     11.46296802     -3.62656278
  O     -1.55924844      9.83942822     -4.33270057
  H      3.81433855     10.07581309     -1.86066016
  H      4.33473453     14.83836395     -5.11816081
  O      0.57209542     14.36404321     -2.20184283
  H      4.97901047     14.03140250     -0.89403828
  H      4.96865827     13.48846947     -4.70215324
  O      0.12326456     11.82297722     -3.27001880
  H      6.18414764     13.07229690     -1.07029040
  H      4.55117233      8.97136096      0.12840381
  O      2.62797545     11.78817242     -4.40521073
  H      1.77353859      6.70258045     -3.44608674
  H      5.20508219     10.15891423      0.88400548
  O      4.21203298     14.08350773     -4.54904982
  H      0.84462205      5.46975250     -3.39763002
  H      3.09925642      8.12935789     -1.78956210
  O      5.38527905      9.29494638      0.49495112
  H      5.28241673     12.58171099      0.87611465
  H      2.23781952      9.11007154     -0.93557249
  O      3.07027440      8.61781454     -0.95587972
  H      5.14790636     12.24416940      2.38159086
  H      2.76863332     10.24103730     -5.28448527
  O      2.91994726      9.34552593     -5.62009530
  H      6.54721030      8.36693008     -2.74973028
  H      2.04990422      8.96104573     -5.80077011
          69
 Energy    -248.34079822478475     
  O     15.79381891      9.26032297    -16.66718937
  H     15.08318984      8.65143022    -16.44292563
  H     16.92896387      2.51942782    -16.00183375
  O     13.82197579      2.94570287    -15.89685973
  H     16.54824737      8.71919750    -16.93613240
  H     20.01451149      4.75434962    -16.34815914
  O     18.04870779      6.05291984    -11.54524035
  H     14.69287452      2.59363498    -16.16055797
  H     21.25734863      4.16882575    -15.63690976
  O     19.21099279      5.23774053    -17.82522916
  H     13.17875425      2.26584032    -16.07759177
  H     18.75356020      8.16057018    -16.34862391
  O     16.65235793      4.23211316    -18.72857447
  H     18.78708683      6.24223287    -12.14456618
  H     17.72867479      6.99986258    -16.37554325
  O     13.40315090      6.57148712    -10.46151371
  H     17.70879227      5.18070380    -11.78934005
  H     16.00554226      5.61952581    -15.98420037
  O     14.35316940      4.07302975    -13.37171067
  H     18.41321409      4.81849372    -18.16645628
  H     17.17866899      4.97799685    -15.19209157
  O     16.40095087      7.47391164    -13.23969498
  H     18.96917013      6.16419144    -17.68218321
  H     13.51383365      7.32157484    -14.95128494
  O     17.94787468      3.35656155    -14.75620579
  H     15.92817831      4.70505951    -18.28802728
  H     12.73862873      8.10190002    -16.03451714
  O     13.35803433      3.71705170    -10.76660610
  H     16.45608369      4.24706398    -19.66284439
  H     14.86468896      3.23611432     -9.98357371
  O     19.62925817      9.03789772    -14.94582693
  H     14.32744171      6.44373699    -10.17938723
  H     15.74050336      2.45335017     -8.97446890
  O     16.29502716      2.25489182    -16.68469510
  H     12.99857382      7.14309860     -9.81432845
  H     14.19945861      4.53885822    -16.76914920
  O     20.38183623      4.51228662    -15.47917044
  H     14.14488222      5.01549527    -13.42161609
  H     14.13350517      6.09680780    -16.84187780
  O     18.17351906      7.65643607    -16.93406542
  H     14.12168672      3.66999786    -14.21629103
  H     19.84848804      7.41674735    -13.97558323
  O     16.75444277      5.81741716    -15.40970735
  H     16.56886223      6.94263964    -14.03279325
  H     20.11172869      5.90890964    -14.18327422
  O     13.49220449      7.53137793    -15.89928860
  H     16.95817226      7.09602431    -12.54763550
  H     16.63705592      3.28585394    -11.33774838
  O     15.77478654      3.11751477     -9.65716270
  H     17.73648085      3.33281339    -13.81301048
  H     16.00609029      3.77626330    -12.65844579
  O     14.61085625      5.32033172    -17.16360142
  H     18.86295913      3.64223193    -14.87241038
  H     16.74182154      6.17290900    -10.19523419
  O     19.88709795      6.56829242    -13.51724475
  H     13.19568587      4.64875900    -10.57282276
  H     15.95799826      5.04401021     -9.51014019
  O     16.85386859      3.58612106    -12.22843181
  H     13.58981402      3.69430849    -11.70555777
  H     14.70431742      7.14045984    -13.20197667
  O     15.94576387      5.99435149     -9.67759533
  H     18.78722442      9.44343775    -14.66949845
  H     13.47855299      6.80658559    -12.32446741
  O     13.78249372      6.83381992    -13.23966798
  H     20.27455989      9.73896879    -14.97458600
  H     16.64479057      9.90452262    -15.12913239
  O     17.16077463      9.94195713    -14.31136563
  H     16.51542104      2.77205458    -17.46844627
  H     16.85788991      9.18474555    -13.79140781
          69
 Energy    -248.34079768737877     
  O     -6.61923146     -1.57587036      6.58996534
  H     -6.65017304     -2.08719246      5.76882304
  H     -3.53046245      2.28360062      0.89959516
  O     -6.89890899     -2.46340692      3.96618323
  H     -5.80043753     -1.06705738      6.55578265
  H     -5.75987536      0.27658504      3.57604721
  O     -6.18961385      0.77927038     -0.10221093
  H     -6.89544604     -1.49771130      3.85618137
  H     -7.01454701      0.84136913      4.32771244
  O     -5.15144156      2.56544847      5.77454828
  H     -7.60353497     -2.77492501      3.38956734
  H     -3.97570327     -0.15593469      5.25383652
  O     -6.70242372      5.40212362     -0.09690793
  H     -6.29572244     -0.17845012     -0.11223932
  H     -3.33942541     -0.32073486      6.65142311
  O    -10.73360220      1.51953778      2.52103928
  H     -6.94338761      1.11489342      0.40650794
  H     -3.28840627      4.37402177      0.31291908
  O     -9.11203873     -0.51427237      6.42430123
  H     -6.10446516      2.42570879      5.87269374
  H     -2.07612620      3.91177554     -0.53366744
  O     -3.91848237     -0.15955191      3.48528562
  H     -4.74307101      1.73377023      6.03769784
  H     -8.90404050      3.92263118      3.58185501
  O     -5.55640294      3.25991460     -1.33459442
  H     -6.35456189      4.63840365     -0.59095307
  H    -10.07411835      2.92521867      3.71469278
  O    -10.04631084     -0.94572049      3.72956009
  H     -7.05526343      6.00982641     -0.74115222
  H     -5.23400681     -2.31372982      1.43489811
  O     -6.75299129     -1.99295900      0.20275244
  H     -9.85638623      1.51633741      2.09924243
  H     -5.35616939     -2.66282929      2.91383195
  O     -4.04548334      1.70222850      1.47232837
  H    -11.37011937      1.69498406      1.83246706
  H     -9.53741750     -3.31354681      1.79998740
  O     -6.72440734      0.28980857      3.58720658
  H     -8.23409449     -0.91561146      6.55594700
  H     -9.32650580     -1.98484862      2.55297105
  O     -4.15800328     -0.10999415      6.20825219
  H     -9.61829724     -0.69783316      7.21140767
  H     -8.34914368      1.13912733      6.00547123
  O     -2.93667152      3.64199088     -0.22610215
  H     -4.05754091     -1.00303625      3.02849344
  H     -8.44156489      2.48133548      5.21201870
  O     -9.50621193      3.51739020      4.22140119
  H     -3.77162877      0.51028760      2.80424568
  H     -4.40004956      5.01575444      2.12117526
  O     -4.70465322     -2.46876942      2.22484949
  H     -4.61907272      3.35184942     -1.12134879
  H     -5.02581342      5.65192158      0.86516078
  O     -8.90218347     -2.61626384      1.94310245
  H     -5.80238026      2.36402026     -1.07125646
  H     -4.99393310      3.34599451      4.17782822
  O     -7.82791444      1.85225406      5.61905362
  H    -10.38686732     -0.09842330      3.41732908
  H     -4.69900367      2.95212793      2.69652664
  O     -4.18351253      5.49638574      1.30945150
  H     -9.75425437     -0.81422162      4.63932452
  H     -7.68068770      1.06570322      2.30936629
  O     -5.02515558      3.66279278      3.26360201
  H     -7.50727952     -2.15223967      0.79109028
  H     -7.95490446      2.52245986      1.82441025
  O     -8.14594299      1.59069169      1.63867854
  H     -6.84060007     -2.61126584     -0.52021681
  H     -6.69182995      4.05014224      2.71790287
  O     -7.55002592      4.19759803      2.29148987
  H     -4.76355207      1.34229356      0.93345641
  H     -7.37720757      4.69854397      1.48528313
          69
 Energy    -248.34045543239995     
  O     16.77467205      6.09085028    -12.55856940
  H     16.92207335      5.24651736    -13.00026649
  H     19.63245093      7.79558328    -11.92385121
  O     20.06964983     10.93073417    -11.97122081
  H     16.89228318      6.77254272    -13.23812886
  H     16.52390467      9.70121696    -17.49282904
  O     19.72787712      9.96565798    -16.67023655
  H     19.19341199     10.79797958    -11.57178757
  H     18.07520690      9.56597070    -17.54017109
  O     14.39005663      4.52003872    -14.81019149
  H     20.59448548     11.40677638    -11.33252134
  H     17.95301185      7.77260534    -14.87057414
  O     15.00981937     10.54783846     -9.89685091
  H     20.39970489     10.42627012    -17.16643655
  H     16.43710241      7.50437741    -15.17726549
  O     14.26670781      6.98301168    -11.81541705
  H     19.48136387     10.54398074    -15.92702189
  H     12.84721097      7.78021011    -14.70569785
  O     16.38756837     10.41980272    -13.83026798
  H     15.22459835      4.11829296    -14.54825134
  H     13.43110000      9.10815018    -14.22306709
  O     18.26923828      5.28498202    -16.28494004
  H     14.64475195      5.25816360    -15.38654347
  H     17.86867218      8.52411516    -10.90251606
  O     15.47275108      7.92381582     -9.44203335
  H     14.64631620     11.00820620     -9.14569372
  H     17.65992825      7.02358679    -11.28132810
  O     19.68077652      7.50159497    -15.28786879
  H     15.12976988      9.61770258     -9.62891334
  H     13.09834966      5.45120154    -14.13297787
  O     17.13124008      3.87525500    -14.24470033
  H     13.57344580      6.62188106    -12.38017681
  H     11.61358279      5.66641614    -13.75177272
  O     20.17539303      8.12927345    -12.64715205
  H     15.10014318      6.57397896    -12.09213014
  H     19.42664126     11.35953597    -13.70742472
  O     17.25685051      9.26922102    -17.95332619
  H     15.53877408     10.28952111    -13.38371430
  H     18.01915612     11.26988620    -14.33285073
  O     17.05057954      7.92567446    -14.56081611
  H     16.67611918      9.53688364    -14.12215516
  H     16.71617565     10.55103825    -10.68570183
  O     13.24214670      8.60298792    -15.02398311
  H     17.80159170      5.66637525    -17.03639445
  H     17.15282770     10.39822368    -12.15717930
  O     18.10017558      7.61848916    -10.65482017
  H     18.89570973      5.95929241    -15.98761874
  H     17.00909979      7.62005713    -18.29382721
  O     12.45977330      6.10387770    -13.79108544
  H     14.95395975      7.48852004    -10.13269244
  H     16.73137101      6.48258663    -19.30825005
  O     18.94594685     11.44163524    -14.54033700
  H     16.39353754      7.69775181     -9.61978562
  H     14.18427485      8.73595836    -12.26734173
  O     17.47917000     10.36886495    -11.24732256
  H     19.83086226      8.30442974    -15.80269480
  H     14.22410553     10.13678829    -11.63570327
  O     16.78404775      6.67444081    -18.37640310
  H     19.96189596      7.67349945    -14.37535437
  H     15.57556760     10.57330552    -15.60723349
  O     14.10930003      9.68005320    -12.47712987
  H     17.59975025      3.04966496    -14.15596448
  H     14.33572797      9.87846149    -16.16177039
  O     15.14041486     10.33271038    -16.43373747
  H     17.53645621      4.34437132    -14.99620140
  H     14.48751447      7.51852436    -16.04947092
  O     15.09854263      6.78400003    -16.17958871
  H     20.30009286      9.06684183    -12.45952746
  H     15.49891484      6.81983056    -17.05752926
          69
 Energy    -248.34033457471327     
  O     17.50306855      8.58302459    -15.69176591
  H     16.56038513      8.62164313    -15.48739269
  H     20.56068141      3.07531201    -15.02864793
  O     17.51340668      2.21560724    -12.59171572
  H     17.57386775      8.03716688    -16.48293308
  H     15.71324579      6.32828191    -17.28110773
  O     20.67237662      6.03730611    -13.36605386
  H     17.20521773      2.34318939    -13.49940991
  H     14.73607797      6.91521389    -16.24684702
  O     14.34362130      3.66553011    -15.90724067
  H     16.78744892      2.47808073    -12.01146845
  H     12.06342557      7.42616133     -9.91915237
  O     18.47512685      4.82316286    -16.12943657
  H     20.28638174      5.46393430    -12.68808733
  H     13.23787388      6.42320200     -9.82927392
  O     13.89094023      4.95272402     -9.15782522
  H     20.91445822      5.43375179    -14.07559331
  H     18.63749159      4.71377676    -11.01876685
  O     16.81145699      7.94352292    -11.27627374
  H     14.51781769      4.54348864    -16.29406878
  H     18.68157132      3.48461944    -11.97169113
  O     19.52579602      1.67645456    -14.60061277
  H     13.56623309      3.32230475    -16.33912640
  H     14.54876237      4.37225398    -14.19944714
  O     17.35180267      5.51187453    -10.00787056
  H     19.39170033      4.56225808    -15.97434284
  H     15.78188409      5.06629565    -13.55610488
  O     17.47353907      6.67344684    -17.84638221
  H     18.12804365      5.14891306    -15.28435286
  H     19.49345127      7.47366526    -13.36909476
  O     17.45475521      5.56213015    -13.67709464
  H     14.32693591      4.33205065     -9.75496727
  H     18.43259547      8.33077843    -14.16874622
  O     20.98230008      3.89181235    -15.34796328
  H     14.55785822      5.21048545     -8.50869535
  H     13.80274573      7.42268739    -11.81143287
  O     14.88562650      6.15145402    -16.81688013
  H     17.53026209      8.11874491    -11.89949280
  H     14.43860701      6.46226401    -12.85925780
  O     12.97155839      7.29356670    -10.17744017
  H     16.00887336      7.79656948    -11.79437419
  H     15.19760690      3.96596540    -11.84048396
  O     19.11495028      4.32449721    -11.76583108
  H     18.71872704      1.73341793    -15.12859987
  H     16.18884637      4.22867572    -10.67585398
  O     14.85385965      4.82028988    -13.40307943
  H     19.19303416      1.62069884    -13.69828077
  H     17.44002002      3.31706748    -15.76086734
  O     18.69681109      8.01891098    -13.28990914
  H     17.04004724      5.62254646     -9.10217277
  H     16.01083618      2.77727886    -15.61937086
  O     14.36377425      7.39253803    -12.59659074
  H     17.19800571      6.35479879    -10.45893385
  H     16.23375171      6.21111618     -6.67720189
  O     15.55634222      3.58376070    -11.02588602
  H     17.89993759      6.66380878    -18.69903411
  H     15.79255291      6.95895369     -7.96035411
  O     16.93063923      2.56850875    -15.42010649
  H     17.89014879      5.97462076    -17.31225790
  H     15.94031996      8.40468617     -9.67120946
  O     16.01395060      6.08282277     -7.59557459
  H     18.00020675      5.05697200    -13.05943057
  H     14.46956723      8.16531449     -9.28877819
  O     15.33729896      8.36315680     -8.91574376
  H     17.74953264      6.47842793    -13.59466696
  H     14.54185531      8.14249734    -14.20009629
  O     14.69245302      8.44629636    -15.10994800
  H     21.81549097      3.63275999    -15.73332510
  H     14.12201207      9.19991085    -15.24339326
          69
 Energy    -248.34029733948427     
  O     10.64363004     11.48961879    -10.20069099
  H     11.48768556     11.83319164     -9.85707117
  H     10.82803291     10.34499426    -17.05741749
  O     14.58770416     10.52790635    -12.67254378
  H      9.99494435     11.61999436     -9.51420288
  H     13.88322090     13.17781376    -14.67180790
  O     16.89869031     13.56837895    -14.78618585
  H     15.51475380     10.78340655    -12.77795884
  H     13.53602178     13.53485635    -16.14164598
  O     15.49183345      6.73190248    -11.80172624
  H     14.49622771      9.98578749    -11.87902682
  H     14.60181947     15.11680195    -11.12088925
  O     10.65426406     11.99300988    -12.95753109
  H     17.44809322     13.87694439    -15.50311665
  H     14.05876503     13.80825952    -11.73843789
  O     11.98519982     13.77700411    -17.12442227
  H     15.99322637     13.54793108    -15.13294593
  H     17.21227648     10.12437815    -14.40053422
  O     14.73514361     10.62424888    -16.48588993
  H     16.00472700      5.97492722    -11.52834597
  H     16.38805401      9.96265182    -15.70083752
  O     15.13131882     10.58549871     -8.76069346
  H     15.65934057      6.83844867    -12.74970427
  H     15.99980052     13.02112634    -10.63414137
  O     13.26967249     12.87106428    -13.02204791
  H     10.78657522     11.09837148    -13.30702418
  H     16.23939780     11.71184296     -9.86836417
  O     13.64096952      8.86339432    -14.59687777
  H     10.53118537     11.90286883    -12.00440558
  H     10.55982686      9.56016013    -14.85848172
  O     13.01995813     12.41002386     -9.28936491
  H     11.25375426     13.50224393    -16.54198168
  H     11.91830295      9.16841876    -14.24567894
  O     10.01796047     10.10600897    -16.57204535
  H     11.66469845     14.51121636    -17.64100561
  H     16.13542085      6.50858920    -15.23864900
  O     14.25592846     13.25708675    -15.56255636
  H     14.28567434     10.02220176    -15.87467416
  H     16.36876741      7.95104300    -14.73241137
  O     14.49566272     14.18358381    -10.95527740
  H     14.61331644     11.52102039    -16.14420714
  H     12.19000021     11.96628632    -17.75716267
  O     17.01120170      9.50962903    -15.11847406
  H     15.41510430     10.16524244     -7.95313867
  H     13.14165349     10.77787759    -17.54267079
  O     16.64533046     12.31581497    -10.50134531
  H     14.80281868      9.87974352     -9.34479787
  H     11.24997749      8.97214238    -12.14755600
  O     11.01546499      9.43565803    -14.01686971
  H     12.32333297     12.67954138    -13.01057005
  H     11.16091783      9.76002068    -10.82536094
  O     15.88973218      7.12138090    -14.55077776
  H     13.72478668     12.02907311    -12.85954997
  H     17.14180814     12.21056890    -13.61755512
  O     12.25315287     11.00682882    -17.84200581
  H     13.98035182      9.45733156    -13.90643302
  H     17.15508735     11.73349072    -12.13166575
  O     11.51964140      8.95608370    -11.22154143
  H     14.25204402      8.11985863    -14.63352740
  H      9.84474820     11.90588831    -15.92185482
  O     17.16593179     11.42576737    -13.05028018
  H     13.70764521     11.79396075     -9.00816312
  H     10.12788749     12.66811751    -14.61626380
  O     10.00097922     12.79000297    -15.56639744
  H     13.47809239     13.11162015     -9.76757850
  H     13.21556511      8.74930546    -10.74533481
  O     14.16444909      8.79319091    -10.54992797
  H      9.44486206      9.66668917    -17.19459546
  H     14.60079035      8.02147590    -10.93687685
          69
 Energy    -248.34024029594116     
  O     15.94069354     11.90937998    -10.57447472
  H     16.54997851     11.19347244    -10.33198506
  H     14.98784699      5.44695913    -14.42329696
  O     12.32306493      6.39851480    -11.44813075
  H     16.09370899     12.09191732    -11.50590119
  H     17.06263956      5.50859860    -13.45586342
  O     16.88650091     10.06346735    -14.96687754
  H     12.69264254      7.01196594    -10.79955364
  H     18.48010430      5.98084899    -13.82158480
  O     17.57266460      8.65139540    -12.62588359
  H     12.98196946      5.70490732    -11.57161574
  H     14.49503192      8.30712522    -11.54079643
  O     15.81843330     12.22550201    -13.51129634
  H     16.63507750     10.87548518    -14.50991240
  H     15.78676505      8.52807623    -12.39730956
  O     13.73609049      8.28266745     -9.88048567
  H     16.07891722      9.69984431    -15.36046360
  H     14.35433293     11.41923361    -10.11923590
  O     14.60150703      8.93251295    -16.09426327
  H     17.45844451      9.11106554    -13.46701666
  H     13.03315109     11.70748856     -9.36332751
  O     16.92549486      4.85426057    -16.78785915
  H     17.73995420      7.71679295    -12.81233255
  H     14.77960334      4.35837390    -12.72943741
  O     11.29470843      7.31523400    -13.80938292
  H     15.63468461     13.10970080    -13.82099626
  H     14.15970211      3.43179640    -11.66384297
  O     16.57408031      5.65122019    -10.58237728
  H     14.95897808     11.81723775    -13.31081977
  H     12.51569012     10.33713594    -14.29557000
  O     13.96267913      6.82860218    -14.43551330
  H     13.58645504      9.23433382     -9.80639311
  H     11.77760786      9.05149633    -14.67941480
  O     15.60469061      4.70521308    -14.30342675
  H     14.52135691      8.06439800     -9.36004500
  H     16.36051780      6.84243239     -9.35929857
  O     17.84716744      5.93782542    -13.08999798
  H     14.48210422      8.10790704    -15.60028609
  H     16.46104292      7.23369305     -7.86506579
  O     14.82524737      8.45014827    -12.43680165
  H     13.77239859      9.40664584    -15.94740087
  H     18.52538782      5.62668486    -15.97856220
  O     13.44419903     11.09958338     -9.97153098
  H     16.67927152      5.73564756    -17.12168604
  H     19.12182763      7.03863821    -15.83623759
  O     14.36197590      4.34586874    -11.85265356
  H     16.98519091      4.28168959    -17.54824799
  H     17.10756110      9.01312713     -9.52928973
  O     12.18063930      9.84264462    -15.05561246
  H     11.58818925      7.02869826    -12.92571551
  H     17.67154370      9.35421957    -10.92425722
  O     16.16810991      7.54908697     -8.71578136
  H     10.43113664      6.93348136    -13.94373478
  H     17.25184169      7.87784790    -17.41108600
  O     19.17285185      6.14254766    -15.48190539
  H     15.79751503      5.18472962    -10.91331432
  H     15.72105153      7.95550544    -17.27670754
  O     17.49793803      9.72540547    -10.04786272
  H     17.17639376      5.72783824    -11.33311153
  H     18.14550177      9.31601893    -15.99913227
  O     16.43681514      7.39972447    -17.60970430
  H     14.28401237      7.36175815    -13.68931456
  H     19.36312799      9.37218068    -16.94747717
  O     18.71591696      8.77912471    -16.57362603
  H     12.99983745      6.86763286    -14.39125944
  H     13.29858177     11.04731073    -11.88345620
  O     13.53209731     10.85757579    -12.79948703
  H     16.04888403      4.58888128    -15.15190274
  H     13.98074152      9.99702200    -12.77644809
          69
 Energy    -248.34017559494441     
  O     14.91020807      9.82751169    -15.66668486
  H     15.37513988      9.66652909    -16.49676740
  H     18.84056973      8.86564971    -16.00807340
  O     17.65090763      5.85393569    -11.82585738
  H     15.58198318     10.04828100    -15.01486506
  H     17.42633522      7.18215106    -15.89503600
  O     19.99039266      6.16062073    -17.70029767
  H     18.50239730      6.12321678    -12.19850042
  H     17.29210062      5.72046216    -15.40403712
  O     17.72186504      4.53474954    -18.34736397
  H     17.02180778      6.53217628    -12.10947731
  H     12.91282703      7.66977439    -14.28082028
  O     13.38833796      5.37644757    -10.16267875
  H     19.30082597      5.62074847    -18.10495723
  H     13.52603633      8.65968505    -15.30973105
  O     14.12949324      4.31732475    -14.12769427
  H     19.56334307      6.99699100    -17.46327694
  H     15.73385695      1.14856399    -10.89900165
  O     15.95709437      7.68016107    -13.02587794
  H     17.75936236      4.27035280    -17.41320853
  H     14.80755745      2.28881123    -11.38894357
  O     18.05272612      4.04331851    -15.64009662
  H     17.62301167      3.73089499    -18.85258540
  H     13.71747203      6.62189003    -16.08014144
  O     13.26240992      3.00157661    -11.79451533
  H     13.00703847      5.54482425     -9.30532720
  H     15.21064708      6.20348520    -16.07418493
  O     19.28158229      9.50493833    -14.33021254
  H     14.32751677      5.16410870    -10.01599526
  H     20.15765291      6.25832164    -13.93551460
  O     20.65460478      5.05913988    -15.32361146
  H     14.12291836      4.71801042    -15.00716600
  H     19.67340057      7.68789937    -13.60604854
  O     18.56297998      8.34468594    -16.77191792
  H     15.04738537      4.10658532    -13.91056438
  H     17.09437150      4.40712921    -12.77153721
  O     16.86922669      6.58720724    -15.37812077
  H     15.04891534      7.38794163    -12.86978522
  H     16.49944839      2.98173003    -12.61768857
  O     12.88847979      7.93741937    -15.20633568
  H     16.24980425      7.29975466    -13.86907373
  H     16.66214945      5.08250281    -10.43245045
  O     15.73405664      2.05270602    -11.19986096
  H     18.97176311      4.26526885    -15.43818188
  H     16.01124780      3.70248341    -10.20880890
  O     14.33312261      5.93730046    -16.38687072
  H     17.63144421      3.73689170    -14.82432445
  H     15.10526892      6.35165860    -18.02564004
  O     19.82189293      6.81679315    -13.22355192
  H     13.13036067      3.76218084    -11.21514589
  H     16.45787973      5.96314770    -18.64405417
  O     16.75540070      3.64734275    -13.26781337
  H     13.37949313      3.36459699    -12.68362394
  H     13.62684242      5.82523400    -13.20547578
  O     15.99304961      4.61992218     -9.91033724
  H     18.43284835      9.81454254    -13.97436968
  H     13.32550780      6.32162689    -11.77524848
  O     15.77697505      6.64543618    -18.65745869
  H     19.93413016     10.16135576    -14.09661649
  H     16.44731918      9.32307752    -13.18204708
  O     13.45481865      6.62279044    -12.68273688
  H     20.51912075      5.47273834    -16.19546580
  H     16.38726158     10.82395508    -12.80214467
  O     16.77821269     10.20924633    -13.41789608
  H     21.51662090      4.65184892    -15.34040492
  H     16.11764378      9.78662478    -18.87548123
  O     16.31106456      9.24704920    -18.11344368
  H     17.86808976      8.81833025    -17.24864669
  H     16.09345890      8.32893211    -18.35840105
          69
 Energy    -248.34013612999757     
  O     10.75249627      8.83510973     -9.13168903
  H     11.26138909      8.98046504     -8.32561415
  H     10.80773490     11.24551524    -11.43841248
  O     13.41335278      9.19744286    -17.07457960
  H     10.77125891      9.67659401     -9.60914959
  H     12.80193765     13.75247777    -13.90989794
  O     11.44532106      7.03204854    -10.99300941
  H     13.75804041      9.15942302    -17.96263741
  H     13.51470531     12.38119775    -13.96705377
  O     14.40543269      8.84110208    -14.45986786
  H     12.98944322     10.06853199    -16.97400048
  H     17.38375152     10.02704958    -10.24341492
  O     12.45710552     12.05975503     -8.13684086
  H     11.13772690      7.63697871    -10.29289163
  H     17.16204483      9.25255794    -11.57943364
  O     12.06841651     11.53375075    -16.65692269
  H     11.00623194      6.19778688    -10.85423017
  H     15.51262741      7.76625843    -11.70560819
  O     11.88551376      8.52076075    -13.32482548
  H     13.56825511      8.66827968    -14.00304342
  H     15.68829893      8.15729306    -13.18097079
  O     14.84060865      8.57363062     -7.90623286
  H     14.19577205      8.88354489    -15.40086032
  H     13.99315381      8.81516849    -10.69504598
  O     13.86681524     10.58925927    -11.03066302
  H     11.92056557     11.96747395     -8.93438045
  H     13.24609639      7.45542232    -10.65180480
  O     12.38573811      9.62880032     -6.92445747
  H     13.35869915     12.25310452     -8.42907065
  H     18.25904380     12.09870297    -13.37310057
  O     16.37572894     13.89754062    -10.97075185
  H     12.33131556     12.08816938    -15.91219537
  H     17.57962118     11.33887144    -12.20517721
  O     11.21558267     11.19154681    -10.56688103
  H     11.15280145     11.28100858    -16.48284541
  H     11.35380954     11.73070391    -13.58962082
  O     12.69894866     12.85273017    -14.20918088
  H     11.48163076      9.39111942    -13.21030215
  H     10.14295634     10.92174399    -14.10693110
  O     17.60021423     10.02036968    -11.18140490
  H     11.68720863      7.99205423    -12.54240207
  H     15.75678013     11.64482315     -8.82328918
  O     16.18127519      7.97654805    -12.37233123
  H     14.59913146      8.18654342     -8.75929761
  H     15.51649276     12.88955040     -9.73379154
  O     14.10181804      7.87084065    -10.49936056
  H     14.01941376      8.88933040     -7.51051836
  H     14.81893240     10.49091759    -13.91254075
  O     17.48493875     12.09488222    -12.81779722
  H     14.23082955     10.84891640    -11.88500846
  H     15.79195901     11.60868731    -13.37999477
  O     10.68262269     11.08714114    -13.32382899
  H     14.30430754     11.13215916    -10.36033123
  H      9.95640812      9.58518314    -15.92007754
  O     15.07847944     12.24481379     -9.16099149
  H     12.09188887      9.70992233     -6.02089179
  H      8.66996650     10.39362385    -16.21908755
  O     14.86774107     11.38158603    -13.53449829
  H     12.41308999     10.53096274     -7.29080150
  H     17.56006868     10.14896989     -7.73414828
  O      9.53858576     10.46117288    -15.83277477
  H     16.80485592     13.33746317    -11.63462597
  H     16.18247322      9.60662076     -8.18183832
  O     16.88719583     10.24289961     -8.40282986
  H     16.88760727     14.70221871    -10.93256935
  H     11.78108930      8.34101575    -16.44298794
  O     10.97347671      8.15861872    -15.94770541
  H     12.14254486     10.95543480    -10.73270741
  H     11.24670845      8.11308322    -15.02008448
          69
 Energy    -248.34005373238523     
  O     12.39216321     11.31149437    -14.96186743
  H     13.16339232     11.88654080    -14.99568448
  H     15.01884793      5.71532560    -14.81681236
  O     15.22621206      6.40082259    -13.07627057
  H     12.60164867     10.55872057    -15.53537599
  H     18.73405683      6.89900636    -14.12458618
  O     17.74418204     10.15542944    -11.89603967
  H     14.51069274      6.56942780    -12.44847980
  H     20.12399680      6.51799406    -13.58726505
  O     18.55765657     10.43693583    -14.59732485
  H     16.04050755      6.64827470    -12.61799342
  H     17.44483299     11.87079324    -17.13702799
  O     12.12772557      6.57753752    -15.80581125
  H     16.89206678     10.51443765    -12.18362934
  H     17.48757400     11.13575086    -15.78039720
  O     15.21738345      9.68410024     -8.92546032
  H     17.86829374     10.45578403    -10.98409103
  H     14.55636601      8.87751722    -15.11993925
  O     13.43376395      7.20501575    -11.10878803
  H     18.49107950      9.51764293    -14.89066928
  H     15.12314921      7.95021317    -13.99805216
  O     15.29504125     10.97095081    -12.86751152
  H     18.42082609     10.41459791    -13.64126286
  H     10.31644800     10.65370325    -12.69952307
  O     16.57729064      6.65954773    -17.51152688
  H     11.34899110      6.12660124    -16.12081304
  H     11.59505436     10.67433690    -13.57087625
  O     15.71392935      6.90280602     -9.45324352
  H     11.93611668      6.86171640    -14.89334775
  H     11.41401604      8.40036466    -13.17023248
  O     17.77136079      7.87055815    -15.31691104
  H     14.51338645      9.88278909     -9.55552134
  H     12.13881047      7.21724048    -12.50491689
  O     14.80004784      5.62016115    -15.75329046
  H     15.36256026      8.73196878     -8.98367185
  H     17.51190830      8.35570052    -11.67015094
  O     19.19135289      6.44034382    -13.40123698
  H     14.07883499      6.95621170    -10.43556331
  H     18.10374402      6.98110709    -12.08092038
  O     16.89011809     11.45829899    -16.47852912
  H     13.41692058      8.17434320    -11.10500577
  H     17.86602997     11.45205229     -8.51849126
  O     15.26053628      8.78475928    -14.46649884
  H     15.28064645     10.18249976    -13.43587312
  H     16.78793726     10.50813990     -9.07780640
  O     11.17293439     10.24799522    -12.80297777
  H     15.15768003     11.72171607    -13.45407666
  H     16.00885266      9.92680188    -17.41517341
  O     11.64792782      7.47217749    -13.29540451
  H     16.78660403      6.00756567    -18.17433344
  H     15.92938228      8.43144822    -17.82986989
  O     17.39288573      7.40010730    -11.57578805
  H     15.92932851      6.24980692    -16.90875471
  H     12.56607789     10.15078100    -11.55457350
  O     17.66681360     10.88397856     -9.25713848
  H     16.08552918      6.25214075     -8.86322935
  H     14.08498847     10.39174596    -11.66840612
  O     15.48092085      9.28362113    -17.90204762
  H     16.37111881      7.05116989    -10.15476034
  H     15.55491221     12.31317392    -15.57812446
  O     13.40494310      9.99663340    -11.10311448
  H     16.93739242      8.24484467    -14.99528588
  H     15.02637407     13.69269479    -15.12914979
  O     14.89338090     12.75392715    -15.02116743
  H     17.54678776      7.40952255    -16.13399429
  H     12.82589613      8.22741392    -16.36071701
  O     13.22271137      9.10593829    -16.38281900
  H     13.86639877      5.85363967    -15.82625977
  H     13.91142190      9.13332628    -17.06422902
          69
 Energy    -248.33995200868796     
  O      1.05305425      0.67728768      8.40633650
  H      1.41059901     -0.21993481      8.27520540
  H     -5.34277543     -0.94412327      5.43111275
  O      1.78960487     -1.87405475      7.92641496
  H      1.79517721      1.27565274      8.39544260
  H     -0.91054787      0.44632783      4.65340013
  O     -3.24310704     -2.65223122      3.15329482
  H      1.21299787     -2.32622096      8.56011021
  H     -1.93478454      0.87664388      3.58532760
  O     -3.67580798      1.41197159      3.75080152
  H      1.53148888     -2.19024890      7.05258360
  H     -1.39134298     -0.65384864      7.03424825
  O     -4.01090192     -4.78122137      9.34526084
  H     -3.27221217     -3.49571860      3.62196501
  H     -0.21225160      0.36365994      7.10979531
  O     -3.69172934     -2.52005937     11.05351552
  H     -2.31160950     -2.45155388      3.00761171
  H     -2.92873751     -1.41952819      8.51234853
  O     -0.20915062     -2.83031385      9.60669018
  H     -4.27667692      0.67001491      3.61152306
  H     -2.71549266     -2.55411073      7.49543989
  O     -4.25519615     -3.51485154      6.91435496
  H     -3.69261830      1.58312648      4.70121576
  H     -2.46762174     -4.95866959      5.15065431
  O     -1.19933159      0.78643202     10.17052975
  H     -4.67691291     -5.45662691      9.45030144
  H     -3.48625332     -5.88088832      4.43086922
  O     -3.39029886      1.32573106      6.58577193
  H     -4.17876509     -4.35583695      8.48745898
  H     -5.95033404     -1.10857108      2.90447571
  O     -0.48713473     -1.95792238      2.81636228
  H     -4.15584732     -1.86536872     10.51370890
  H     -4.55442268     -1.56639760      3.39306000
  O     -5.11529288     -0.89292171      6.36885438
  H     -3.77215652     -3.35327067     10.57364397
  H     -0.48858426     -3.98964874      5.90279013
  O     -1.04323645      0.51688923      3.70128525
  H     -0.91119329     -2.51332096      9.01763024
  H     -1.03684485     -5.01056141      6.95174492
  O     -0.89601600      0.00979099      6.52631043
  H     -0.41583668     -2.46218616     10.47317566
  H      0.21235182     -2.35688309      4.52602220
  O     -2.25429637     -1.85612795      7.97675861
  H     -4.62132630     -2.65832741      6.65618986
  H     -0.03704360     -1.57048276      5.81758326
  O     -3.34364858     -4.98382503      4.71796471
  H     -4.03313409     -4.01027331      6.11568015
  H     -1.20174289     -1.59564109     12.78486629
  O     -5.29770543     -0.96499498      3.58418331
  H     -1.18648701      0.03618092     10.77749694
  H     -2.17829622     -1.89712279     11.62189093
  O     -1.04493243     -4.76875596      6.01462088
  H     -0.38855189      0.74423237      9.65020684
  H     -5.00267757     -0.77180421      8.29590662
  O      0.37737868     -2.37278327      5.47788086
  H     -3.46922594      1.68123841      7.47926260
  H     -4.34662574      0.24410885      9.27607451
  O     -1.30751028     -1.51737104     11.84079845
  H     -2.49328330      0.97328468      6.51557172
  H     -2.65004315      1.55339175      9.66143426
  O     -4.58769740     -0.68480389      9.16309364
  H     -0.66237145     -1.02535059      3.04395955
  H     -3.70254986      2.67472327      9.85912950
  O     -3.50093843      1.90295714      9.33763480
  H     -0.02217402     -1.95669722      1.98408349
  H     -2.15380051     -5.21933727      9.01463961
  O     -1.23709984     -5.29227472      8.72480599
  H     -4.50797465     -0.14213212      6.43839471
  H     -0.76730471     -4.56618317      9.15597646
          69
 Energy    -248.33983310128949     
  O     -4.04478541      3.63343018      4.78680569
  H     -4.19309746      4.50006171      5.15748295
  H     -1.85716124     -1.87940601      1.95680684
  O      1.15575236      2.65960470     -0.05702768
  H     -3.53402002      3.76613614      3.96949395
  H     -1.53337033      2.78456077     -1.56363684
  O     -0.81367563     -0.41697517      2.38057378
  H      0.40851303      3.06274083     -0.53655269
  H     -1.67146741      4.16244751     -0.88818807
  O     -5.74888935      1.38175172      1.47157538
  H      1.95248968      3.01655503     -0.44010668
  H     -5.04636407      0.73060073      4.50737324
  O     -3.14566251     -1.41376904     -2.54550387
  H     -0.34448837     -0.02066299      3.12327647
  H     -5.36587011      2.22044484      4.50775039
  O     -0.05415188      0.11321304     -0.20376626
  H     -1.58840042      0.14729419      2.21607446
  H     -3.58100833      5.75333068     -0.28224620
  O     -4.30912554     -2.84115282      3.77731836
  H     -6.25511541      0.60860356      1.19299052
  H     -3.71483294      4.20961412     -0.23220219
  O     -6.60195987     -1.37926985      3.54546873
  H     -5.85014142      1.46050984      2.42956350
  H     -2.74939879      4.28554469      1.69413025
  O     -2.00732430      1.76017037      5.70994357
  H     -2.40817905     -1.83239816     -2.06396020
  H     -1.57407365      3.70592314      2.54925078
  O     -2.38267369      1.09685991     -1.49290555
  H     -3.18862540     -1.83104156     -3.40111244
  H     -5.03636004      2.32039510      0.06907554
  O     -7.01290438     -1.02988557      0.79156591
  H      0.48643829      0.91179615     -0.20965199
  H     -3.83953038      2.10416018     -0.89830279
  O     -2.49294859     -2.51873095      1.60546820
  H     -0.21634146     -0.09661334      0.72776840
  H      0.30829159      2.53423859      3.16302427
  O     -1.03969640      3.58196295     -1.32821183
  H     -5.16397287     -2.38424925      3.68286574
  H      0.53690796      3.01922979      1.70528807
  O     -5.74937251      1.36158161      4.29126940
  H     -4.47193014     -3.61718588      4.30760692
  H     -0.47651831      1.40251186      4.94847785
  O     -3.15272286      4.96268115      0.03313061
  H     -6.85581694     -1.31156196      2.61454013
  H      1.00612535      0.99092037      5.09709091
  O     -2.53766376      3.81669768      2.51036682
  H     -6.57879205     -0.47777290      3.88280336
  H     -3.30593814      0.16157907      3.73179273
  O     -4.50283927      2.74756777     -0.61350524
  H     -2.61972738      2.48199453      5.53313054
  H     -3.66629701     -1.19337434      4.40425218
  O      0.10749817      3.24259970      2.53967179
  H     -2.50563710      0.95558389      5.50280630
  H     -4.21446172     -1.59677112     -0.99310570
  O      0.31841768      1.13574538      4.45276538
  H     -2.70842226      0.34144127     -1.99576490
  H     -3.87654351     -1.96562730      0.46780045
  O     -3.50380702     -0.26081638      4.58206006
  H     -1.63765776      0.76282965     -0.97469637
  H     -1.56007611     -2.61984981     -0.10649697
  O     -4.60107702     -1.71357357     -0.11812802
  H     -6.15947922     -1.33144743      0.42575589
  H     -0.62967049     -1.58885419     -0.78150108
  O     -1.17330166     -2.36996602     -0.95512551
  H     -7.68689629     -1.25842475      0.15839285
  H     -2.83819192      2.02508491      2.25135899
  O     -3.04805814      1.08619066      2.15906131
  H     -3.07718475     -2.75289597      2.33703730
  H     -3.92588731      1.04133097      1.76247792
          69
 Energy    -248.33978846578020     
  O     17.79600790     10.22885656    -11.19479311
  H     18.18491620     10.90938724    -10.63266301
  H     14.14014043     11.18070180    -10.30011036
  O     13.98724259      5.74036659     -8.68846292
  H     17.16491213      9.74284506    -10.64108631
  H     13.14537108      9.80351020     -8.33581111
  O     19.00588427     11.78319692     -9.19264494
  H     14.26883064      6.22872038     -7.90604875
  H     12.34818718      8.48936492     -8.50672425
  O     11.89936048      7.11908920     -9.75515061
  H     14.70774394      5.80139959     -9.33089662
  H     18.88273177      5.37571371    -12.00935385
  O     16.16123975      9.73777873    -13.34887295
  H     19.48662098     10.97645754     -8.93428880
  H     19.52154705      5.99793678    -13.26847929
  O     19.84794316      8.38895037    -11.29590418
  H     19.63095957     12.50164913     -9.14627224
  H     15.63300930      6.44924367    -11.51000842
  O     20.27034516      9.41327620     -8.72619090
  H     12.61259523      6.55922856     -9.40032972
  H     15.92887782      7.24002343    -10.22608057
  O     18.66458128      6.13178947    -10.16119746
  H     11.10221772      6.59621385     -9.73126184
  H     21.03276581      7.71459831    -14.56366360
  O     12.90144946      8.49407181    -12.01541354
  H     16.81868851      9.95999959    -12.67322110
  H     19.51206972      7.92906156    -14.36379450
  O     16.44710533     11.56876174     -7.92295920
  H     15.37689117     10.24827585    -13.11439665
  H     17.50478749      7.42866893    -15.07598979
  O     13.86407193     11.00095059    -12.22227072
  H     20.13220062      8.18785757    -12.19518749
  H     17.32331800      8.88361501    -14.58515888
  O     14.16399776     10.92672448     -9.37099275
  H     19.13460926      9.04132675    -11.35893367
  H     16.35870352      8.85314549     -8.73539212
  O     12.76698969      9.05824894     -7.84923810
  H     19.91767437      8.69464220     -8.19066205
  H     15.24195825      9.45599512     -9.61990046
  O     18.91501459      5.30806865    -12.96951906
  H     20.32813551      9.05424909     -9.62324131
  H     14.08822820      7.29527961     -5.59972433
  O     15.94624733      6.34456858    -10.60327560
  H     19.05369136      6.91653020    -10.57644779
  H     13.85276931      8.10925669     -6.89366899
  O     20.32752005      7.61927547    -13.92972102
  H     17.70970182      6.14509847    -10.32906901
  H     15.57306062      6.55487454    -13.74519822
  O     17.94193839      8.28826185    -15.02716123
  H     13.52940162      7.88963154    -12.43228355
  H     15.49543730      8.00657951    -13.20467098
  O     15.99592573      8.85312599     -9.63175025
  H     12.52525038      8.02726528    -11.25986810
  H     19.44049927      6.43755603     -7.02890542
  O     14.48056795      7.51589587     -6.44061788
  H     17.30203275     11.76912771     -8.32215746
  H     18.87563965      6.66362950     -8.44612676
  O     15.09422619      7.12799192    -13.13412950
  H     16.58857640     10.75312865     -7.42542067
  H     17.59470137      8.22693542     -7.08142056
  O     18.99343448      7.07917973     -7.57586759
  H     13.44356370     10.12440870    -12.13326851
  H     16.08469383      8.35723139     -6.70627557
  O     16.86032053      8.85008419     -7.01153774
  H     13.23603129     11.56005695    -12.67270456
  H     17.55465069      5.44302837    -14.07554845
  O     16.85256746      5.64780627    -14.71860957
  H     14.93056958     11.33113478     -8.93475224
  H     16.78613281      4.89761842    -15.30295626
          69
 Energy    -248.33944107815660     
  O     18.39586468      8.15065117    -15.99048697
  H     18.24006619      8.82502670    -16.67573284
  H     16.76532157     10.49763388    -10.78328342
  O     15.20100321     10.86497973    -15.23289184
  H     18.59840510      7.33994223    -16.45156795
  H     19.01622387     16.77248337    -14.77955112
  O     19.91564086     11.26344066    -10.30928338
  H     15.25762089     10.81858060    -16.19668381
  H     17.84444101     16.29184122    -13.89509923
  O     20.32430411     13.14139969    -12.25544675
  H     16.09942353     10.98615562    -14.88607768
  H     20.35328844     12.34064791    -15.42303939
  O     16.57523810      8.71716478    -11.57875204
  H     20.14452413     11.96791126    -10.93981852
  H     21.11468262     11.21021248    -14.72655175
  O     15.30233000     11.00864181    -18.06049605
  H     20.61520999     11.23410788     -9.66195471
  H     18.32285640      9.09781697    -12.05538464
  O     17.56129309     14.81463060    -16.68068275
  H     20.57894814     14.07321075    -12.25389792
  H     19.47403630     10.04036078    -11.63367255
  O     20.87597199     15.84524172    -12.52461468
  H     20.57747751     12.76914493    -13.11294124
  H     16.02050795     14.13097251    -17.45670134
  O     18.84084632     12.36419675    -16.39580906
  H     16.35320432      8.56491394    -12.51476069
  H     14.71243915     13.71915388    -16.76003513
  O     16.13790278      8.35412620    -14.23155969
  H     16.21305858      7.98144566    -11.09196305
  H     20.53270159     15.85199115    -16.08134617
  O     17.97579086     10.11784054    -17.79344689
  H     15.27666055     11.98048444    -18.00184679
  H     20.28375993     17.01267340    -17.07349925
  O     17.02191124     11.35112995    -10.41304964
  H     14.65897081     10.75596856    -18.71721845
  H     16.80838616     14.45468569    -13.40034564
  O     18.69830502     16.74018161    -13.86805488
  H     17.20511495     14.90220065    -15.78394589
  H     15.60008791     14.58485421    -14.34918959
  O     21.04978660     12.17457934    -14.77027385
  H     18.31917106     15.40885343    -16.74307331
  H     21.58052405     15.24883490    -14.23429511
  O     19.13993066      9.50777056    -12.36595972
  H     21.23832810     16.54409556    -11.98718986
  H     21.63888099     13.95425743    -15.07058632
  O     15.18152630     13.67227414    -17.60184890
  H     20.06431680     16.19628831    -12.93380941
  H     20.03364323      8.99664777    -15.23533693
  O     19.84299959     16.41533429    -16.47541421
  H     18.41988577     11.98058704    -15.61030474
  H     20.28050951      9.34493954    -13.77682360
  O     16.44782365     14.98725013    -14.12616929
  H     18.40759620     13.20909776    -16.56786615
  H     17.56474970     12.03072868    -13.49101239
  O     21.67698206     14.91730762    -15.13521118
  H     15.63306357      9.08807852    -14.60193862
  H     18.21055294     10.63696281    -13.66781627
  O     20.67401525      9.42568134    -14.65761492
  H     16.90834048      8.24021666    -14.80380605
  H     14.48528419     12.50615232    -14.94087800
  O     17.69089673     11.30977610    -14.12191294
  H     17.07143169     10.37489726    -18.00879152
  H     13.30780398     13.42294162    -14.54487039
  O     14.19074902     13.43140504    -14.90656649
  H     18.39638910     10.91538923    -17.44265485
  H     17.22274152     12.73279599    -11.54143988
  O     17.52702587     13.33632618    -12.23562717
  H     17.95672013     11.27125970    -10.18416169
  H     18.49316853     13.35284851    -12.20611441
          69
 Energy    -248.33940511567306     
  O     -2.76758336     -1.28866991      2.38607245
  H     -2.60338898     -1.44735973      1.44656924
  H      0.34569448     -0.26066404      0.04732555
  O     -1.06414699      3.32080443      2.12448838
  H     -3.48957925     -0.64302560      2.43065499
  H     -1.63217196     -2.25274342      3.41312182
  O      0.91654181     -0.45320840      4.54006436
  H     -1.99585218      3.56415657      2.16588438
  H     -1.34758816     -3.29490702      4.51351058
  O      1.40988450     -2.78948156     -1.84289277
  H     -1.01857385      2.40016304      2.43186312
  H      2.48622850     -0.13359693      0.98347226
  O     -2.38786899     -1.56184465     -0.41409190
  H      0.55625209     -1.34195330      4.48687120
  H      3.53808216      0.37728297      1.96431888
  O     -4.48409877      0.20722942     -0.74302216
  H      0.25195280      0.08785687      4.08767928
  H     -0.02640161     -3.48219208     -1.22667030
  O     -4.55908932      0.74914118      2.07990333
  H      1.50922803     -1.96856077     -2.33583733
  H     -0.94697032     -4.72324784     -1.12707744
  O     -3.49637161      2.91197635     -0.72809698
  H      2.12078092     -2.80499282     -1.18457461
  H     -1.61376134      0.12952560      2.71099133
  O     -0.65330021      2.87837727     -0.61746020
  H     -1.97720756     -2.42138510     -0.56710453
  H     -0.21234051      0.38726974      2.12355266
  O      1.58550138     -0.21509879     -3.07692890
  H     -1.78759011     -0.90546552     -0.80287677
  H      0.12218285     -3.12651597      2.38926654
  O     -0.61074602      0.24339119     -1.42974125
  H     -5.16455051     -0.12995823     -1.32106077
  H      0.07427526     -3.51552740      0.87611694
  O      0.74633671     -0.43271608      0.90765972
  H     -3.80741862     -0.48573805     -0.67805528
  H      2.12615453      2.60587922      2.62005043
  O     -0.92280506     -2.74481780      3.85969058
  H     -4.67928846      0.60763844      1.13194607
  H      0.84398242      3.41097154      2.25175155
  O      3.44543412     -0.02486150      1.09465651
  H     -4.34914840      1.68517221      2.17643928
  H      3.47072252     -1.90247045      0.60074847
  O     -0.80782278     -3.85023266     -0.77070153
  H     -3.77980522      1.99903590     -0.86051472
  H      2.46080382     -3.02567119      0.90652279
  O     -0.85343925      0.71873437      2.77317370
  H     -2.54387839      2.93746295     -0.88577964
  H      3.50757090      1.41569008      4.38137547
  O      0.63259655     -3.14187246      1.56983400
  H      0.23725760      3.20932483     -0.78573423
  H      2.29717250      0.54331525      3.99538298
  O      1.78613115      3.31395759      2.06173347
  H     -0.81151806      3.02450494      0.32679014
  H      2.82758190      2.07099244     -1.18509313
  O      3.17746180     -2.77480277      0.30918074
  H      2.20693309      0.27829398     -2.50992602
  H      3.42746231      0.78413280     -0.58064263
  O      2.95095993      1.17183950      3.64553360
  H      1.85800681     -0.06858875     -3.97825915
  H     -4.49814262      4.27717192      1.99903562
  O      3.15515332      1.19232715     -1.41323458
  H     -0.63872188      1.18269279     -1.19788737
  H     -3.80163093      3.40401256      0.92838864
  O     -3.87770521      3.56166174      1.88698222
  H      0.06820915      0.11621967     -2.10496886
  H      2.03150060      3.55200540      0.36568846
  O      2.05495105      3.67410282     -0.60156685
  H      0.70793116     -1.38338922      1.08160987
  H      2.44406056      4.53015294     -0.75986039
          69
 Energy    -248.33913312645259     
  O     16.99613451      7.61619849    -13.02055224
  H     17.69250856      7.67239787    -12.35006138
  H     13.26642126     10.98078435    -13.60697590
  O     14.54423912     13.04338820     -9.52197927
  H     17.35280374      7.90337819    -13.87008493
  H     12.64445641     12.28594262    -11.79727162
  O     17.69138772      8.80466828    -15.48256607
  H     14.97610237     12.17640658     -9.52564571
  H     13.81868991     12.99249204    -12.50892848
  O     12.09774808     11.96287750     -9.96165684
  H     14.88165980     13.50069024    -10.30152135
  H     15.95432497      7.58027854     -7.49797278
  O     14.54892700      6.49137753    -12.31387147
  H     18.01942890      8.36221209    -16.26171569
  H     16.83362902      7.48741554     -6.22884816
  O     18.81424280      7.95264120    -10.96404051
  H     16.82267941      9.17412047    -15.71755747
  H     14.59410000      9.93341959     -9.72331980
  O     20.76900015      9.64235960    -12.05655620
  H     12.92891068     12.41006272     -9.71843634
  H     15.59656899     10.35268990    -10.81432422
  O     17.83216475      9.58737913     -8.92192893
  H     11.39237830     12.44983047     -9.54363307
  H     17.54047950      6.43281553     -8.53149096
  O     12.87717835      9.23870290     -9.78192033
  H     14.72509416      5.97856145    -11.51537374
  H     18.18143321      6.48347485     -9.93579643
  O     15.23994069      9.83383567    -16.12539982
  H     15.40652739      6.81131026    -12.62415047
  H     18.13729751     12.12902600    -11.70982538
  O     12.43410363      8.11706792    -12.35075636
  H     18.45504914      8.53100475    -10.27465772
  H     16.97508722     11.50585799    -12.53939904
  O     13.51449514     10.12571254    -13.99410747
  H     19.57949850      8.41355313    -11.32963095
  H     15.03522320      4.23703825     -9.70777034
  O     13.04401007     12.43734829    -12.66186168
  H     20.30286045     10.00987757    -12.82902412
  H     16.08221621      5.37321464     -9.75599040
  O     16.87262692      7.60932118     -7.17337656
  H     21.70076555      9.67703378    -12.25420012
  H     15.06728103     10.15157350    -13.04189229
  O     15.41699496     10.41660297     -9.86499998
  H     16.96785211      9.91878697     -9.21195900
  H     16.26831561      9.23168136    -12.67277766
  O     17.68324822      5.91547201     -9.33481608
  H     17.64392705      8.97679116     -8.20008638
  H     18.74689770     10.12065043    -14.60194803
  O     17.54535810     12.28674623    -12.46179733
  H     12.49852031     10.12780638     -9.78789595
  H     18.72829004     11.36640151    -13.67930977
  O     15.14423585      5.16195129     -9.91249323
  H     12.69867257      8.85742799    -10.65164578
  H     19.88995645     10.94261070    -10.88998353
  O     15.88946608     10.10956492    -12.53895532
  H     14.93175454     10.39432232    -16.83352443
  H     18.83351414     10.94737652     -9.77328299
  O     19.30792506     10.70589824    -14.07944756
  H     14.57881457      9.91499467    -15.41952952
  H     16.21561733     13.44747092    -12.23948071
  O     19.25160325     11.50835640    -10.43969551
  H     11.65663397      7.60274123    -12.55162864
  H     15.61783768     14.86276323    -12.37794007
  O     15.41632332     13.97800638    -12.08364082
  H     13.19143572      7.50141840    -12.36353501
  H     14.49748685      6.60145531     -8.83081373
  O     14.37768609      7.35624464     -8.24029686
  H     13.06331750      9.43464393    -13.49349876
  H     13.76702030      7.95819752     -8.68160983
          69
 Energy    -248.33885196128173     
  O     16.57929979     10.11626416    -15.29281816
  H     17.40330256      9.61002073    -15.27578547
  H     14.06846026     11.64122527    -11.98869658
  O     14.77963408      7.55962865     -9.10451425
  H     15.86820553      9.51684382    -15.56116946
  H     16.13418450      5.34760775    -14.48448582
  O     16.42661460     12.80058890    -14.94988993
  H     14.82618423      7.24444181     -8.20629640
  H     16.88767622      4.03040382    -14.76418489
  O     12.60980282      8.25970827    -10.80798793
  H     14.97211453      8.51472792     -9.08020548
  H     16.04376783      8.01469419    -11.92343002
  O     14.57404733      8.32755542    -15.78827088
  H     16.18472140     13.24678339    -15.75732089
  H     15.66676784      7.13249479    -10.69905731
  O     18.85556580      8.60217327    -14.95365910
  H     16.45210315     11.84884982    -15.15133402
  H     17.63942708      6.02564450    -16.17939419
  O     20.49521536     10.49959619    -13.71331454
  H     13.25585404      7.93966571    -10.16700468
  H     18.35132018      7.38155181    -16.32447475
  O     18.42823779      6.70544902    -12.92092375
  H     12.87468408      9.16059377    -11.02954716
  H     17.90983147     13.61750858    -10.13010863
  O     12.05702110      6.88504843    -13.07051658
  H     14.79949078      7.97937432    -16.66379047
  H     17.77201666     12.19372393    -10.71972148
  O     15.19592890     12.96146089    -12.36787791
  H     14.65728685      7.60013418    -15.15841295
  H     16.44428198      7.09754131    -17.74910117
  O     12.71094090      9.53576992    -14.05797380
  H     19.50219869      9.24366966    -14.63349090
  H     15.66376237      7.27386674    -19.06491921
  O     13.66606892     10.77638552    -11.80831029
  H     18.70291266      7.97949795    -14.22869260
  H     16.27104894      9.81824658    -13.52354807
  O     16.99951592      4.97732850    -14.72398470
  H     19.92066200     11.28059218    -13.62439696
  H     15.22396683     10.01649352    -12.38325529
  O     16.04208558      7.10392855    -11.58564795
  H     21.36732415     10.82376905    -13.92244574
  H     18.09358374     12.77445239    -14.04696729
  O     17.90406162      6.69000405    -16.82811445
  H     18.16379777      5.99598573    -13.51826256
  H     18.55240158     12.91344402    -12.58816503
  O     17.68351560     13.14091181    -10.92440751
  H     17.67023053      6.81999929    -12.32864606
  H     17.19843280     10.21891027    -11.36118562
  O     15.57380483      7.32670561    -18.11786813
  H     12.21675768      7.31177262    -12.20893881
  H     18.55049884      9.89168693    -10.70921637
  O     16.07862018      9.62198513    -12.60013027
  H     11.18467861      6.50238094    -13.03045240
  H     15.13554282      6.50174302    -13.02468800
  O     18.85176618     12.64361501    -13.46498892
  H     15.52652546     12.96988049    -13.27493161
  H     13.74119462      6.32470425    -13.66144843
  O     17.76163043     10.43971485    -10.60280438
  H     15.96749124     13.12505216    -11.81270859
  H     19.51156042      8.01601115    -11.87522799
  O     14.68623358      6.24485163    -13.84402418
  H     13.31175078      9.28803254    -14.77293447
  H     20.14719461      9.38282685    -12.19196775
  O     19.82338688      8.83192873    -11.46739316
  H     12.31738671      8.70040996    -13.77990987
  H     16.16773839     10.32494077     -9.64355977
  O     15.25316765     10.21240666     -9.34843406
  H     13.24931983     10.46272673    -12.62840574
  H     14.69203836     10.56419056    -10.04808560
          69
 Energy    -248.33877865963441     
  O    -10.14526424      1.15840614      3.62719383
  H    -10.00228010      0.20119224      3.56819394
  H     -9.25754067      2.97527759      1.13532795
  O     -6.31278220      0.37237260      6.79028560
  H    -10.59029782      1.36502652      4.45992086
  H     -6.27214393     -0.80609976      2.83653583
  O     -9.40364579     -2.43965252      6.24910637
  H     -6.31457094     -0.57494091      6.58829156
  H     -6.22950225     -2.25024097      2.29735138
  O     -7.18118548      4.26575905      5.39322366
  H     -6.84274094      0.78809966      6.09161001
  H    -11.83669911      2.61730988      5.85442101
  O    -12.93784817      3.98476758      5.28399403
  H     -9.65269128     -1.63029711      6.72972065
  H    -10.40786492      2.58747833      6.45490983
  O     -7.65844740      1.59846565      4.74354709
  H     -9.91630641     -3.14973046      6.62588677
  H    -10.36844896      6.49102295      4.88308450
  O     -7.95388839      1.44073151      8.69016127
  H     -6.22834020      4.28261631      5.24177753
  H    -10.29977905      7.81007079      4.07691582
  O     -9.10253575      3.62097674      7.27143116
  H     -7.59750798      4.62860323      4.59709871
  H    -11.31664118      4.24979261      2.42063250
  O    -10.85563569      5.65173103      6.33785519
  H    -12.62992442      4.23854319      4.39505910
  H    -11.38347921      5.60667851      3.15325340
  O     -5.94125749      3.77575817      2.10127069
  H    -13.88810695      4.05851673      5.27857456
  H     -9.47642028     -1.85647902      4.46479269
  O     -5.80564653      0.94149258      2.86429477
  H     -8.53596436      1.45594658      4.36790504
  H     -8.50703566     -1.57687729      3.30016304
  O     -9.90087768      3.19579877      1.82132720
  H     -7.55348722      2.53693614      4.94373192
  H     -8.85899728      4.42073786      2.62003472
  O     -6.60855401     -1.70457329      2.98258643
  H     -7.60761193      1.35772930      9.57503334
  H     -8.83532334      5.81991512      3.28592397
  O    -11.10508604      2.02966289      6.08101178
  H     -7.29230435      1.05129976      8.09231632
  H     -9.38737844      0.33385689      8.01769872
  O    -10.16389321      6.86908149      4.00871547
  H     -8.72271205      2.95839707      7.86119491
  H    -10.56684648      0.52582999      7.04734713
  O    -11.90558168      4.82902584      2.92320112
  H     -8.38564584      3.91553727      6.69054667
  H     -7.53214234     -2.36395148      6.02323771
  O     -9.42106436     -1.46104133      3.58533601
  H    -10.26692747      5.04634159      6.80579232
  H     -6.52727697     -2.10219065      4.88555817
  O     -8.27236900      5.08426403      3.01349374
  H    -11.64163483      5.13834250      6.11206581
  H     -4.77207763      1.06668962      5.87371131
  O    -10.06545567     -0.14550168      7.52838788
  H     -6.70855761      4.31423701      2.34657436
  H     -4.56971371      1.11719132      4.34923457
  O     -6.60041656     -2.17896095      5.84442924
  H     -5.31497160      3.89873262      2.82447578
  H     -6.98647909      3.14421810      0.69245831
  O     -4.21688017      1.45216459      5.18391725
  H     -6.48534660      1.13376932      3.53278325
  H     -7.44195658      2.97964360     -0.76395594
  O     -7.70325570      2.80331886      0.13719283
  H     -5.75233050      1.74851059      2.34526935
  H     -3.70030162      4.57246265      4.77680067
  O     -4.48768744      4.07467068      4.57393750
  H    -10.00958550      2.41722501      2.38859204
  H     -4.31747790      3.15537760      4.84684860
          69
 Energy    -248.33873361015702     
  O     10.54376150      9.91282138    -11.56718662
  H      9.86155866     10.56639267    -11.44210610
  H     18.41200414      6.37763659    -15.35240118
  O     14.35431516      7.05294075    -15.31085854
  H     10.31046369      9.41090908    -12.37042377
  H     16.93443928      7.07974427    -13.72956078
  O     17.48790060     10.42661159    -10.74574973
  H     15.00094897      7.36617550    -14.65892982
  H     16.29499029      7.88828783    -12.58478677
  O     16.92232554     10.16837512    -14.85568838
  H     14.83784881      6.97315263    -16.14168841
  H     12.18776315      7.42146278    -10.48531024
  O     12.47769322      9.09008123    -15.09931384
  H     17.64166006     11.11346575    -10.10321335
  H     10.91741432      8.27313802    -10.64371188
  O     13.46000994      5.56108112    -13.17426438
  H     16.84115268     10.77851729    -11.38501776
  H     19.24729709      6.01046128    -10.44632733
  O     15.69858149     11.23532274    -12.56616138
  H     16.67081140      9.34414080    -14.41157303
  H     18.04171351      6.84697433    -10.93777770
  O     15.60688450      9.91537385    -17.32513024
  H     17.87412009     10.09449039    -14.99371595
  H     10.03752827      5.15153207    -12.41759073
  O     15.79463089      4.03536318    -13.10043755
  H     12.57662594      9.72421340    -15.82409215
  H     10.83571644      6.30435636    -11.76314118
  O     19.62031346      9.36362933    -14.97227101
  H     13.09138323      8.36318333    -15.26709323
  H     19.45080740      8.16871246    -11.91281111
  O     16.11407267      7.08765683    -17.49942722
  H     12.50169882      5.54773214    -13.05884535
  H     18.89174373      9.59734436    -11.77031932
  O     18.43693896      6.99245872    -16.09837906
  H     13.65302845      6.00316776    -14.01464648
  H     18.42857061      5.76832437    -12.88930126
  O     16.31596039      7.79936629    -13.54287217
  H     14.80443287     10.86991563    -12.56207561
  H     17.26817029      4.96750008    -13.54630381
  O     11.22363628      7.38354868    -10.42530361
  H     16.07739728     11.04335407    -13.43455299
  H     15.61897947      7.70520911    -10.67016271
  O     18.89499492      6.46307462    -11.20815779
  H     16.06074162     10.10568917    -16.49287368
  H     16.81048985      8.72673339    -10.56221258
  O     10.72099965      5.79508593    -12.58574299
  H     15.77406887      8.98322719    -17.50358260
  H     12.92412708     11.60237068    -17.63445765
  O     19.51800398      9.06119011    -12.27200689
  H     14.95207725      4.51423828    -13.07829729
  H     13.95529101     10.51226965    -17.29067228
  O     17.99873137      5.57680182    -13.73232049
  H     15.56764739      3.10856500    -13.08726272
  H     13.71329079      8.40341073    -11.70927106
  O     16.58265932      7.79234417    -10.66483418
  H     20.45046840      9.76570843    -15.21361040
  H     13.83592921      6.85993387    -11.87991951
  O     13.02738079     10.77860678    -17.16717667
  H     19.63273915      9.25435112    -14.00467872
  H     12.34777854     10.08976914    -12.13430199
  O     13.92432125      7.58119710    -11.24215153
  H     16.22162217      6.59541921    -18.30876908
  H     12.99483951      9.69662747    -13.48292591
  O     13.19679006      9.92976957    -12.56432560
  H     16.96907164      7.04991940    -17.03422663
  H     10.27868116      7.45367261    -13.51315778
  O     10.14787117      8.37499269    -13.76405015
  H     18.88160419      7.78699265    -15.77994446
  H     10.88881767      8.60795611    -14.34316776
          69
 Energy    -248.33818273538725     
  O     19.87416406      6.47746646    -13.68372461
  H     20.05378730      7.13489540    -14.37942579
  H     17.53428503     13.22194252    -14.97250552
  O     18.26951955     10.44781125    -12.21468093
  H     20.67310694      5.96960455    -13.57081647
  H     13.14708030      9.86376786    -14.78913943
  O     12.98943536      9.05116603    -10.45838468
  H     18.46023541     11.32173790    -11.85711107
  H     12.15577762     10.56253682    -13.82350253
  O     15.73605144      6.84997988    -13.13199556
  H     17.31718976     10.45249730    -12.41107617
  H     15.21883353      9.92618673    -13.33607202
  O     14.22139942      6.47530776    -10.78229634
  H     13.26817814      8.14354835    -10.62187925
  H     15.08832962     11.30252006    -12.61699108
  O     17.46299257      5.85638915    -15.12204548
  H     13.75641808      9.49659856    -10.07176452
  H     12.86771036     13.53740339    -15.68718559
  O     13.94324178     12.73353239    -12.39749280
  H     16.53598428      7.18975227    -12.70453720
  H     13.07785155     12.11852649    -15.10380149
  O     16.83943035      9.82471276    -16.19272466
  H     15.12500288      6.62306172    -12.42076743
  H     17.10047872      7.58463797    -10.28239497
  O     18.10256489      7.70718758    -11.87781409
  H     14.98981601      6.82065433    -10.29059595
  H     16.15836534      8.55566252     -9.53427436
  O     16.18800908     12.56394471    -15.80097264
  H     13.93698360      5.68642217    -10.32847957
  H     19.93825997      9.19593898    -15.43621345
  O     17.88271192      7.46317297    -17.26589887
  H     18.28406126      5.90000036    -14.61645375
  H     19.49010349      8.03673122    -16.35192322
  O     18.35915068     13.52240865    -14.54737625
  H     16.75816893      6.06346157    -14.49463003
  H     19.03692079     13.82765577    -11.40246274
  O     12.46440214     10.54763365    -14.73820479
  H     13.81660231     13.01011041    -13.31344005
  H     18.34483573     13.38515829    -12.70974804
  O     15.60164872     10.48540635    -12.65053072
  H     13.17305491     12.19362925    -12.16939010
  H     16.68445892     13.13104243    -10.74333273
  O     13.47608425     13.00519330    -15.18194695
  H     17.61423799     10.11927348    -15.69410953
  H     15.16142602     13.07677946    -10.94740061
  O     16.38877266      7.62101796     -9.62989260
  H     17.12797832      9.05521936    -16.70005691
  H     19.05090820     11.71111154    -14.87226681
  O     20.14681185      8.28702859    -15.69030494
  H     18.27183226      8.65818623    -11.93301189
  H     18.90086799     10.54445539    -13.88850262
  O     18.37832669     13.23143420    -11.75235856
  H     18.77814420      7.26439088    -12.40594397
  H     10.93750294     11.08195659    -11.63501577
  O     15.85236797     12.99662272    -10.27616196
  H     15.25221422     12.72851972    -15.63446872
  H     12.19977815     10.21182672    -11.44923203
  O     19.12009365     10.75298781    -14.80917126
  H     16.26973709     11.64123298    -16.07190196
  H     15.48635005     10.15895435    -10.84033029
  O     11.80926307     10.92360369    -11.98735309
  H     17.80729824      6.97260834    -18.07958008
  H     15.59859016     11.20062816     -9.73537072
  O     15.44092700     10.25865927     -9.87741470
  H     17.67168521      6.84460261    -16.54294997
  H     15.40969393      9.15828357    -15.28293606
  O     14.68497824      8.86734752    -14.71134300
  H     18.68437882     14.24782354    -15.07433502
  H     14.98592125      8.08335294    -14.23137494
          69
 Energy    -248.33806911424085     
  O     18.15889887      9.69140659    -11.30835504
  H     17.49900695      9.58912584    -12.01920869
  H     16.37833319      8.60917815     -6.56523510
  O     16.42944122      3.38274118    -10.26288190
  H     18.95162537     10.03666077    -11.70899440
  H     12.57269087      9.56789278     -7.83433663
  O     13.48491985      5.16762392    -11.79787373
  H     16.45899007      4.00088325    -11.00451976
  H     14.03427841      9.85961859     -7.38901374
  O     12.90090479      7.34773507    -10.21995199
  H     15.49478198      3.21270057    -10.09902269
  H     17.96675390      7.32097736     -5.04744601
  O     15.91491407      6.81699943    -14.63457372
  H     13.38660484      4.42987617    -11.18401755
  H     17.08527320      6.39541163     -5.91647583
  O     13.61162385      3.24278587     -9.72450074
  H     14.44000759      5.27864890    -11.92460399
  H     13.77710816     10.14743011    -11.47232644
  O     16.25648403      9.22962249    -13.13667688
  H     13.73488044      7.35577112     -9.72300089
  H     13.38154606      8.66781545    -11.37579143
  O     18.93269721      6.32815322     -8.22704146
  H     12.94148806      6.56174208    -10.77945029
  H     16.26192716      5.82546597    -13.06435831
  O     14.06591367      4.95764645     -7.65494571
  H     16.01645025      6.62114453    -15.56187745
  H     16.72868510      6.05404020    -11.59961088
  O     17.52664354      7.11285558    -10.41330553
  H     14.96009063      6.92380391    -14.47198921
  H     13.30963992      7.97032618    -13.34601105
  O     15.22915548      7.14480302     -8.86559127
  H     13.72701810      3.81392762     -8.94474453
  H     13.18749843      6.42972579    -13.23474592
  O     15.72404924      9.14197255     -7.03319476
  H     13.10646022      2.48587622     -9.43966300
  H     11.78137453      7.87097727     -8.98859097
  O     13.25650861     10.24584738     -7.81563036
  H     16.25219607      8.45707562    -13.71269744
  H     10.41496211      8.43389373     -8.52882766
  O     17.50621320      7.27319244     -5.88164446
  H     15.36894559      9.28857982    -12.75776627
  H     15.85465491     10.98004249     -9.52651470
  O     13.67717337      9.34487585    -12.00030906
  H     18.74564709      5.38134193     -8.17432591
  H     17.23875797     10.37179665     -9.82092779
  O     16.24046629      5.44782617    -12.17757988
  H     18.54139328      6.72444491     -7.43967580
  H     15.57045628      4.74549825     -6.55779000
  O     13.33031462      7.15274258    -13.85962747
  H     14.53387872      5.68535280     -8.09273779
  H     17.02605946      4.29146588     -6.75349500
  O     11.28199823      8.18881088     -8.21551200
  H     13.35159668      5.35318531     -7.13619155
  H     11.74394987      6.98064090     -6.90867152
  O     16.65950590     10.65685101     -9.10416070
  H     17.80659815      7.98690738    -10.70879790
  H     12.12240990      6.74757852     -5.43819593
  O     16.44712850      4.78094720     -6.15461235
  H     18.11204453      6.84175006     -9.68977146
  H     13.82955900     12.34520515    -10.12038573
  O     12.09329898      6.32043691     -6.29174276
  H     15.36081961      7.84501946     -8.21298533
  H     13.72008282     11.03969112     -9.29856434
  O     14.06289451     11.42028415    -10.12743159
  H     16.01567249      7.12159024     -9.42489431
  H     17.51635769      3.52028791     -8.91030978
  O     18.10160371      3.60841631     -8.13725303
  H     16.18594119      9.70165373     -7.68065027
  H     18.66170894      2.83680439     -8.13146308
          69
 Energy    -248.33792247361527     
  O     -7.46892505     -1.69683260      6.33016968
  H     -6.55037002     -1.40900873      6.40567254
  H     -4.65625962      1.10493423      1.20649990
  O     -8.88381631     -1.19943878      2.71096295
  H     -7.49873361     -2.34223575      5.61458077
  H     -6.13943458      0.15023016      3.69883376
  O     -7.81792764     -3.37958547      4.02639150
  H     -9.71890553     -0.86798204      3.06106638
  H     -7.19199250      1.03891325      4.44828543
  O     -6.07945618      1.01163082      0.04580319
  H     -8.19715093     -0.60612600      3.06118641
  H     -4.56097394     -0.85856814      5.39374882
  O     -4.96961933      2.02307932      6.14437930
  H     -8.29011912     -2.67503925      3.55153872
  H     -3.99971612     -1.28447453      6.77063718
  O     -5.31592448      5.63594018      0.46418428
  H     -8.38557788     -4.14683412      4.02176460
  H     -2.37031443      3.65107856      0.98685593
  O     -9.58859059     -0.04549465      6.57586606
  H     -6.44004652      0.11968841      0.01471079
  H     -1.26512236      2.94253992      0.16462548
  O     -4.49895318     -0.75008321      3.65488494
  H     -6.73863577      1.54502885      0.51891091
  H     -8.11892022      4.50489654      3.98634720
  O     -4.71110255      3.33441140     -0.88333900
  H     -4.80422734      1.09417060      6.33572988
  H     -9.45567826      3.72619533      4.01003931
  O    -10.95209667      0.00042366      4.14526424
  H     -5.93059639      2.12685687      6.20244532
  H     -9.59121823      2.44590542      2.31134041
  O     -7.41562859     -1.52329507      0.35857348
  H     -5.16506652      4.83370435     -0.06628787
  H    -10.57205467      1.72250264      3.25703946
  O     -3.91937088      1.19931847      1.82634531
  H     -5.48283888      6.34453796     -0.15150790
  H     -6.14275559     -2.44677495      1.50389761
  O     -7.02312034      0.53050943      3.64317899
  H     -8.83063044     -0.65560622      6.51099963
  H     -6.30146236     -3.15247896      2.86500736
  O     -4.74471046     -0.86217586      6.34997573
  H     -9.89541870     -0.08399954      7.47829002
  H     -8.43278200      1.46074309      6.21662219
  O     -2.18369155      2.88666589      0.41136092
  H     -4.79588835     -1.51894965      3.14558939
  H     -8.13232005      2.81851369      5.49394714
  O     -8.79564973      4.15043234      4.57697574
  H     -4.12874738     -0.10829953      3.03353620
  H     -3.42000407      4.44666754      2.75769930
  O    -10.37457742      2.57806515      2.86296519
  H     -3.80612154      3.14563697     -0.60463958
  H     -3.72753452      5.33015530      1.53375388
  O     -5.64507068     -2.79856695      2.25179137
  H     -5.20796623      2.51912222     -0.74124393
  H     -4.57131619      2.86438024      4.60755618
  O     -7.73011359      2.02124468      5.87532415
  H    -11.89140755     -0.04711728      4.30856909
  H     -4.33577457      2.51138097      3.10827973
  O     -3.00495781      4.90893430      2.01555338
  H    -10.51693036      0.00739764      5.01300187
  H     -7.46754356      3.19598310      1.97328687
  O     -4.48909368      3.24212938      3.72056191
  H     -8.03556471     -1.38674273      1.09302635
  H     -7.51742912      1.70680826      2.38386254
  O     -7.79721252      2.32952371      1.69578451
  H     -7.91705894     -1.91931324     -0.35101407
  H     -5.93387439      4.18832048      3.15866462
  O     -6.67427400      4.64165186      2.72727910
  H     -3.21551320      1.66218472      1.35566099
  H     -6.30196102      5.11285015      1.97224120
          69
 Energy    -248.33789441298063     
  O     18.21817404      9.42450983    -14.42871714
  H     18.31642988      8.49550266    -14.66636220
  H     14.14187384      4.28698952    -14.91075820
  O     14.21342146      4.72961028    -16.73383577
  H     17.86537198      9.42962012    -13.52703589
  H     13.30557559      8.75380492    -10.00076510
  O     12.49803305      8.39705435    -13.07745686
  H     14.97866978      5.32450822    -16.83221620
  H     12.95290815      8.14795516    -11.38042867
  O     12.13787979      6.62197715    -16.21521578
  H     14.23514526      4.12959019    -17.47452555
  H     15.60985334      8.84647739    -13.52307383
  O     16.75988014     11.22328918    -15.83732809
  H     13.38338507      8.40967139    -13.47641569
  H     15.15032259      8.61140098    -15.00998350
  O     16.27744629      6.45761731    -16.95550684
  H     12.12720776      7.53082621    -13.28737962
  H     19.02027044      6.00807530    -14.76314743
  O     13.55535921     10.46895371     -9.49321310
  H     12.81241528      5.97776162    -16.46434910
  H     17.59302195      6.29912200    -14.24846580
  O     15.97965017      4.54712736     -9.65648835
  H     11.81055226      6.33762553    -15.35399138
  H     12.26523142     10.00670124    -14.01379108
  O     15.28388669      9.05337283    -16.79382039
  H     17.32333104     11.87120531    -16.25176275
  H     12.38495343     10.29965410    -15.51120004
  O     11.76389918      5.58514536    -10.65843271
  H     17.34424204     10.60721761    -15.35841303
  H     13.94954687     11.52259158    -14.12833120
  O     13.85576818      3.69176357    -11.16981519
  H     15.97045961      7.37318514    -17.01639473
  H     15.44037131     11.71057739    -14.52176183
  O     14.11618094      4.30165966    -13.94627326
  H     17.03406945      6.46813849    -16.35878535
  H     11.55096096      5.62141303    -12.57870822
  O     13.22117793      7.91713999    -10.47748394
  H     12.90228117     11.13065780     -9.27576245
  H     12.56075778      5.23027180    -13.67173409
  O     15.01678553      8.34047694    -14.09449434
  H     14.18764382     10.90693405    -10.08276841
  H     11.92103456      9.32209675    -17.80480109
  O     18.26422538      6.57499606    -14.89536149
  H     16.29991633      3.84480055     -9.09789729
  H     12.33671547      8.26988774    -16.75184018
  O     12.41996705     10.72230789    -14.64532657
  H     15.24867806      4.16867402    -10.17431290
  H     15.91627658     12.45259708    -10.98555874
  O     14.80287557     11.85843737    -13.81578373
  H     14.34757746      9.21401573    -16.97234552
  H     15.14648642     11.78639341    -12.15246482
  O     11.75287878      5.74189513    -13.51413847
  H     15.72327223      9.89627774    -16.62399436
  H     15.68322850      6.78014383    -13.64775385
  O     12.50633787      9.17635242    -17.06621895
  H     12.27373957      6.39472454    -10.48656316
  H     16.14531750      6.23835051    -12.28404049
  O     15.41338123     11.67690448    -11.22024676
  H     11.09319146      5.53604086     -9.98185233
  H     16.56345114      8.58496947    -11.49501034
  O     16.14421402      6.03521296    -13.22783151
  H     13.10494056      4.25732057    -10.95041052
  H     16.34381686     10.11903867    -11.68843698
  O     16.74319667      9.33374321    -12.08062820
  H     13.92625982      3.70647733    -12.13218300
  H     16.02272044      6.25093516    -10.17160052
  O     15.90784828      7.08777881    -10.64555452
  H     14.87615144      4.83508502    -13.66924506
  H     14.97959783      7.34083624    -10.54798784
          69
 Energy    -248.33764651660408     
  O     15.35673471     10.02922127    -15.79293849
  H     16.08761922     10.41499967    -16.31134763
  H     19.05759004     11.13451581     -9.78973031
  O     19.97522061     10.46203346    -16.14710518
  H     14.79915310      9.55868932    -16.40602590
  H     20.80251823     16.81843357    -12.06891477
  O     19.57067279     12.85528905     -9.95436168
  H     20.47000144     11.12095692    -15.64152059
  H     19.28858698     16.51781640    -12.11243424
  O     14.87345099     12.39652433    -11.62223704
  H     19.97374545      9.67173052    -15.59411381
  H     20.94121735     12.33279263    -11.11745157
  O     20.77512991      9.41944907    -11.78163184
  H     18.79188471     13.12742169    -10.46431272
  H     21.52533066     11.04093095    -11.72227516
  O     16.31256605      9.92291498    -11.31192318
  H     19.97444833     13.66232184     -9.61310264
  H     16.83202601      9.47427672    -12.91826836
  O     20.58108022     15.09744585    -14.65207188
  H     14.81946458     12.41596362    -12.59511025
  H     16.50897987      9.48948573    -14.45469931
  O     20.77394846     15.31033657     -9.36537167
  H     14.00359781     12.60824551    -11.29488128
  H     19.72642679     13.96232135    -17.59104464
  O     20.97695848     12.35529021    -14.34393456
  H     20.44877637      9.02638406    -12.59990404
  H     19.83032965     14.79573260    -16.29940816
  O     14.85613070     12.44543076    -14.33718154
  H     20.01380570      9.53206854    -11.20060420
  H     22.66042452     15.70854884    -12.40582458
  O     17.44120712     11.24837037    -16.97890473
  H     17.08676353     10.06247476    -10.75170481
  H     23.19810589     16.95128015    -13.15881251
  O     18.74295212     10.21764054     -9.84254149
  H     15.80138047     10.74081119    -11.30511049
  H     17.63003382     15.20987343    -14.04793518
  O     20.00619939     16.78035399    -11.52379299
  H     19.77577278     15.24056350    -14.13520729
  H     17.89502751     14.88062303    -12.57629634
  O     21.65303763     12.00080639    -11.68063691
  H     21.28675074     15.58666542    -14.21143341
  H     22.28164253     14.74052557    -10.45113761
  O     17.21215724      9.37283985    -13.80496981
  H     20.43859613     15.86764297    -10.09054312
  H     22.62314258     13.57041631    -11.39388647
  O     19.22268928     14.52370063    -17.00479602
  H     20.83738580     15.86936376     -8.59560383
  H     19.66744905      7.40901707    -14.39043963
  O     22.42105796     16.41370988    -13.03465887
  H     21.32178723     12.22594623    -13.44960155
  H     18.76495426      8.62489371    -14.07120687
  O     18.14265911     15.49481530    -13.28364617
  H     20.92439015     13.30845926    -14.49142369
  H     17.97801685     11.07925338    -13.76806963
  O     22.85207063     14.48665912    -11.18685971
  H     14.90025462     11.61112709    -14.82012749
  H     19.24409607     11.99582627    -13.89837752
  O     19.68728099      8.34551492    -14.20893337
  H     15.48253965     13.03629221    -14.77397850
  H     17.78178145     14.11975820    -16.04083546
  O     18.30786583     11.97902735    -13.66193027
  H     17.35790726     12.15936633    -16.68446392
  H     17.56097415     13.15617073    -14.82774965
  O     17.11852061     13.79068613    -15.41524085
  H     18.33790511     10.96257834    -16.74482290
  H     16.52383057     13.20910781    -11.43617549
  O     17.45061066     13.44476219    -11.56028280
  H     18.88215275      9.83457780     -8.97877555
  H     17.77993621     12.87280411    -12.27504291
          69
 Energy    -248.33722655704148     
  O     -0.17427202      8.63617747     -2.31099437
  H      0.08690434      8.02296461     -1.61204326
  H     -1.75673799     11.29248447     -2.68112175
  O     -1.47772490     11.41474164      0.65993026
  H      0.31122588      8.39456771     -3.11003627
  H      3.08322938     12.60217499     -6.99554879
  O      0.68358666     10.67461310     -5.44989797
  H     -2.31200609     11.59965753      1.08436420
  H      3.82505140     11.46789677     -6.25640275
  O      1.59760919     10.69350076     -1.54578155
  H     -1.68225124     11.18820175     -0.26521198
  H      3.41964173     13.49549240      0.51544899
  O      4.48189385     13.33614909     -0.85179520
  H      0.90691028      9.75547706     -5.25802266
  H      3.16968178     14.11140581      1.91261816
  O     -1.09846579     12.25390589     -4.17516157
  H      1.50092205     11.11026619     -5.71954221
  H      1.11451140      9.76725036      1.50593147
  O      4.83907832      9.16531718      0.29573446
  H      0.88611156     10.07559879     -1.75658834
  H     -0.38460710      9.98646577      1.24142198
  O      2.46609051      5.70741728     -3.50593978
  H      1.34968444     11.56194123     -1.88610472
  H      5.95921187     11.14878751     -2.62493109
  O      0.25286827     13.61614916      0.03948223
  H      4.19920947     13.39345917     -1.77147810
  H      4.90338909     11.90497827     -3.48293342
  O      3.38899086      7.19560547     -1.27454940
  H      5.12781423     12.62032236     -0.80710125
  H      0.20364280     13.02207593     -3.09820530
  O      3.51445874     13.09136779     -3.56457796
  H     -0.49952839     11.65371510     -4.65601296
  H      0.65627960     13.49052793     -1.66734757
  O     -1.93593177     10.73012104     -1.91872968
  H     -1.68034622     12.64033471     -4.82392192
  H      2.87767630      9.93283573     -2.48787435
  O      3.07230091     12.08025530     -6.19644213
  H      4.08556772      9.64896613      0.66498057
  H      4.25247408      9.91430634     -3.20826531
  O      2.82352135     13.48157715      1.28629729
  H      4.47614327      8.37732252     -0.12197793
  H      5.39754179      9.49398437     -6.22605411
  O      0.26356212      9.30822015      1.46745335
  H      2.87227439      4.85112604     -3.61465431
  H      5.53373739     10.65763797     -5.22653603
  O      5.55772488     11.19005702     -3.50213945
  H      2.86181316      6.08985393     -2.70819536
  H      2.72045408     11.61773772      1.27464876
  O      0.96892429     13.22418603     -2.54630673
  H      1.06805905     13.59339056      0.55571133
  H      2.26423435     10.70412066      0.11322513
  O      3.48391161      9.37484484     -2.99957497
  H     -0.29538703     12.88137579      0.34169344
  H      2.26938532      8.62912231     -4.08610750
  O      5.25136671     10.43208018     -6.12816856
  H      2.52803625      7.23364451     -0.83537945
  H      1.74271989      7.21312442     -4.35213102
  O      2.62428256     10.69415788      1.01504830
  H      3.45062820      7.95897837     -1.87033009
  H      0.58175406      7.91850772      0.50131770
  O      1.53549293      8.14571979     -4.49766565
  H      2.62634538     13.20873731     -3.19367975
  H      0.45650674      6.39146021      0.28162574
  O      0.79251440      7.19199351     -0.11296385
  H      3.37167285     12.86742372     -4.49253729
  H      7.16523828     11.15051263     -0.38871682
  O      6.32009265     11.12570329     -0.82928545
  H     -1.47123636      9.89922562     -2.09305472
  H      5.81858297     10.39138158     -0.43173584
          69
 Energy    -248.33705781327393     
  O      1.68498078     13.55141560      0.72667427
  H      1.47421779     14.36220406      1.18325414
  H     -0.96053824      7.59407526      0.27452640
  O     -0.44091626     11.87677266      0.48634631
  H      0.86491604     13.02744097      0.69209916
  H      1.78567587      5.11307842     -0.34266362
  O     -3.57010215     10.72685419      2.41828799
  H     -1.37581389     11.91325138      0.24810164
  H      1.59856854      6.40289947      0.48762088
  O     -0.74116652     10.27116005      2.76451549
  H     -0.03321016     11.22976500     -0.11035996
  H      4.63691331     11.81545827     -3.56104833
  O     -0.25880349     10.45218118     -3.83291841
  H     -3.87327427      9.84559829      2.16728479
  H      3.35189954     10.95203624     -3.57794227
  O      1.81684655     13.40396116     -2.13213560
  H     -2.66941611     10.61380627      2.74813306
  H     -1.24391257      8.61185253      2.28500340
  O     -0.43036816     13.25077520     -3.59529132
  H     -0.59659628     10.86004319      2.01070005
  H     -2.43138705      7.70465927      1.87502409
  O      1.28971099      7.07967037      2.08728022
  H      0.13291942     10.06720535      3.12111241
  H     -4.98623678      7.67128686      1.16353527
  O     -3.05745448     12.45536716     -2.82503451
  H     -1.16845425     10.14558551     -3.92040138
  H     -3.91266663      8.38089160      0.30865534
  O      0.54275631      9.98091676     -1.20036489
  H     -0.29246093     11.41892523     -3.84700493
  H      1.49041498      9.80427284     -4.24017085
  O     -3.07754033      9.95173628     -3.83661455
  H      2.55312963     12.85809142     -2.43605016
  H      2.58733076      8.86317559     -3.66631468
  O     -0.73464514      7.57276011     -0.66784685
  H      1.89262286     13.48335300     -1.17479917
  H      2.35803339     10.16309816      2.82805548
  O      1.59330434      6.04426058     -0.41794443
  H     -0.34773362     13.90582433     -4.28393728
  H      2.37429302      9.55714445      4.25108507
  O      3.82321935     11.65387196     -3.09178800
  H      0.35620548     13.34671484     -3.02897782
  H     -2.27334031      8.38629250     -1.15913966
  O     -1.47527936      7.71483499      1.99812072
  H      0.33117602      7.11212620      2.20282953
  H     -3.18061913      9.13938341     -2.17032145
  O     -4.16267781      8.14966706      1.21849722
  H      1.62430552      7.87611256      2.51610514
  H      3.28607260     10.80456408      0.87744441
  O      2.43980116      9.63475779     -4.23384051
  H     -3.13518772     12.33191742     -1.86903513
  H      2.70706255     12.10356602      1.46338133
  O      1.89750382      9.54608283      3.42537836
  H     -2.18734757     12.83997007     -2.99023945
  H     -3.39013862     11.42112379      0.73846028
  O     -3.10155556      8.88133037     -1.24370465
  H      0.16260147      9.12016034     -0.98338978
  H     -3.06666960     10.64019527     -0.55296285
  O      3.07768997     11.24952395      1.71173797
  H      0.31603789     10.16091023     -2.12212849
  H      3.29705551      8.42039516     -1.69670627
  O     -3.10295757     11.53128012     -0.17935950
  H     -3.64882669      9.85781005     -4.59399880
  H      2.56363451      7.07594400     -1.71731279
  O      3.01511655      7.70849505     -2.28642684
  H     -3.15067642     10.87716459     -3.53689059
  H      2.33622549     10.05293107     -0.92293484
  O      3.29639828     10.10760166     -0.79400190
  H     -0.00227478      6.95094431     -0.75818974
  H      3.62827378     10.67124226     -1.50413199
          69
 Energy    -248.33697844560055     
  O      2.19485883     -2.81859694      3.36809341
  H      1.96123025     -3.12820979      2.47379662
  H      3.62613760      1.35590056     -2.42284656
  O     -1.72421811      2.41799570      1.35596591
  H      2.47050759     -3.58459807      3.86329237
  H      0.70207322      1.67957684      3.33767827
  O      0.39499339      3.35224848     -2.54326446
  H     -1.17478701      2.06507989      2.07702602
  H     -0.24652959      0.43284228      3.43945144
  O     -0.19417085      4.30850880     -0.11315764
  H     -2.49818236      2.79454922      1.76917937
  H      0.65628084      0.12026090      0.28449817
  O      2.70127480     -1.97162397     -1.12658879
  H      0.12488896      3.74933078     -1.69431620
  H      1.94657025     -0.63332498     -0.15228495
  O      1.90306733     -0.84107310     -3.59249672
  H      0.35992058      4.04484216     -3.19704935
  H     -1.47009040      0.89872334      0.30270392
  O      3.54917468      3.43209311      1.09264227
  H     -0.70932928      3.70136710      0.43170657
  H     -0.97390025      0.26417224     -1.04765961
  O      1.40308365     -3.48028369      0.86777458
  H      0.43505493      4.75066099      0.46915409
  H      1.86635395      2.64780510     -1.68358400
  O      1.16112538      4.64353094      4.04741307
  H      2.38463640     -1.72175334     -2.00431333
  H      2.21817693      1.51581018     -0.66737135
  O     -1.24642595     -2.41618489      0.94003817
  H      3.62190154     -1.68221898     -1.06223054
  H      2.95383078     -1.17944400      2.96413052
  O      5.12285618      0.95196283      1.07189274
  H      1.94405780     -1.19273072     -4.47805905
  H      2.57345180     -0.14138236      1.87525445
  O      4.04619762      0.70176032     -3.00060357
  H      2.67740889     -0.25959717     -3.48318231
  H      6.15362968     -1.24431430     -0.91597299
  O     -0.22179957      1.39843481      3.37578256
  H      3.06772407      4.25870964      1.21902393
  H      5.26558260     -0.16949540     -0.25180173
  O      1.61834999      0.12438661      0.35250244
  H      3.24518483      3.07874047      0.24307574
  H      2.77042610      1.31889539      3.35118919
  O     -1.15814300      0.08566725     -0.11139698
  H      0.48526491     -3.18658757      0.80337812
  H      2.82006016      2.65068819      2.58274755
  O      2.59126252      2.23490521     -1.19876284
  H      1.87429642     -3.08085621      0.12506119
  H      0.55574480     -1.82528844      3.54354469
  O      3.17254620     -0.30623293      2.62106550
  H      1.68082730      3.82837092      4.02246328
  H     -0.68404000     -1.73966340      2.64170338
  O      5.29085995     -0.84048280     -0.95737967
  H      0.29487989      4.39558374      4.39433491
  H      1.89419231      6.51059397      1.59991307
  O      2.44197058      2.22768640      3.36706711
  H     -1.28024795     -1.53997201      0.51888268
  H      1.48465174      5.31058921      2.48359391
  O     -0.26312037     -1.33374594      3.40905187
  H     -2.07391985     -2.84745953      0.74274959
  H     -1.50616873      3.20893292      5.79747199
  O      1.72570893      5.57229039      1.57650665
  H      4.57609420      0.47188544      1.71059742
  H     -0.95252595      2.65315416      4.47733524
  O     -1.26003137      3.46518845      4.91124808
  H      4.80700174      1.86154066      1.08841524
  H      0.36777958      0.13483302     -3.00515331
  O     -0.38076640      0.62689735     -2.64736021
  H      4.62587989      0.19152342     -2.42194605
  H     -0.15720715      1.56401159     -2.71654718
          69
 Energy    -248.33663458639666     
  O     11.45595827     10.11581098    -10.45430071
  H     12.41134229      9.96659693    -10.36179170
  H     13.13592553      4.78756716    -12.63669023
  O     10.83818794      4.27917904    -10.92240122
  H     11.27550383     10.97283231    -10.07484980
  H     14.79984895      6.79996108    -15.20037325
  O     16.86963053      5.69782335    -13.03499413
  H     10.18631061      4.81091175    -11.39645575
  H     15.76615916      6.75564952    -13.98034754
  O     14.30267666      5.44607607    -16.40438550
  H     11.49277636      3.98906982    -11.56703094
  H     13.85404336      6.83911345    -13.15656407
  O     14.96813884      3.08470021    -10.85099323
  H     17.57131841      6.36516345    -12.99690359
  H     12.33316552      6.85435514    -12.86187788
  O     16.91073412      9.81280278     -9.94537412
  H     16.58678813      5.56544958    -12.12096225
  H     10.52809532      7.16175639     -9.42352606
  O     11.56122511      5.69602167     -8.72646254
  H     14.73325148      4.79021088    -15.82540878
  H     10.47535717      8.55916874    -10.09943939
  O     14.62402121      9.70526623    -13.20819701
  H     14.57734725      5.25277185    -17.29653881
  H     18.17761139      8.66437882    -12.67765031
  O     11.79480012      4.95613290    -15.11310254
  H     15.56547661      2.34596547    -10.75816850
  H     18.57672049      7.67044554    -11.57211109
  O     18.18200051      7.43171996     -9.68575340
  H     15.46678709      3.86837031    -10.57317758
  H     13.10593511      6.44179477     -9.37059945
  O     15.36823333      3.82216211    -14.51953460
  H     15.94552119      9.79518595     -9.92278174
  H     13.55464351      6.73606391    -10.83009375
  O     13.07352680      3.82126978    -12.70269740
  H     17.13612122     10.12720466    -10.83048559
  H     16.93424498      6.08636628    -10.01448698
  O     15.08121577      7.28499568    -14.41539930
  H     11.31625266      5.11842648     -9.47255037
  H     15.38822578      5.98549226    -10.07658680
  O     13.18856410      6.57638424    -12.50826548
  H     11.38194680      5.20645873     -7.92846812
  H     17.52796795     11.12852226    -13.22141481
  O      9.98089843      7.74100122     -9.96753507
  H     14.83636557      8.90493973    -13.71037014
  H     16.31042754     10.22400667    -12.93433857
  O     18.55869468      7.79053675    -12.53000941
  H     13.67507984      9.85747319    -13.33146439
  H      9.27822343      6.80904006    -11.24104270
  O     13.81720692      6.82411111     -9.89802166
  H     12.56929081      5.13221719    -15.66258061
  H      8.05304133      6.17730792    -11.95082237
  O     16.20737848      5.51682371    -10.29567346
  H     12.09749581      4.35732764    -14.42165287
  H     14.06780155      8.57355867    -10.15203118
  O     17.24591579     10.37056553    -12.71533232
  H     18.85839578      7.49016425     -9.01609632
  H     14.32584392      9.51864508    -11.36980627
  O      9.00529429      6.21838092    -11.96736872
  H     17.71991900      8.28926194     -9.69267633
  H     11.58116141      9.94786213    -12.40359131
  O     14.14180999      9.50227229    -10.41945688
  H     14.63589790      3.65474003    -13.91549107
  H     11.45372397      8.98845835    -13.60406095
  O     11.88101434      9.80332471    -13.30833920
  H     16.01266201      4.34303260    -14.02019101
  H     10.11741160      6.90363057    -13.26466312
  O     10.84288898      7.20951140    -13.82422658
  H     13.66553576      3.46139300    -12.02396515
  H     11.08587309      6.46842950    -14.40005093
          69
 Ord_Energy   -248.336380    
 O   -5.45794153     -0.487815738       4.33588076    
 H   -6.08579016      0.227638632       4.39065218    
 H   -4.62619209     -0.163877249       4.72538853    
 O   -2.35388780      -3.29231620      0.608394146    
 H   -2.96771836      -2.72356868       1.09352434    
 H   -2.69984365      -4.19056749      0.716603518    
 O    2.33705044      -2.81616521       1.97520065    
 H    1.46964097      -3.25185561       2.05870318    
 H    2.90775943      -3.42518830       1.51361167    
 O    1.51189768      0.451703072       4.66262817    
 H    1.24196661      0.934689283       5.45455790    
 H    1.60277569       1.07469273       3.93051648    
 O   -2.73312283      -2.04936767       6.99394321    
 H   -2.23110628      -2.59167886       6.37312317    
 H   -2.90182638      -1.20906067       6.53884363    
 O    1.14617682      -3.34817410       6.58596277    
 H    1.73114812      -2.92797494       5.92822742    
 H    1.67792916      -3.96845222       7.07671690    
 O   -3.44109321      -5.62929916       1.51495290    
 H   -3.53552842      -6.57231474       1.61823571    
 H   -3.55281806      -5.24800444       2.40118957    
 O  -0.854132414     -0.878989697       3.98194861    
 H   -3.86004485E-02 -0.419123501       4.21790504    
 H   -1.13726342     -0.552544355       3.11870289    
 O   -1.10158801      -3.39034390       4.94734240    
 H   -1.00971782      -2.49591112       4.57440281    
 H  -0.347171754      -3.52929640       5.53462172    
 O   -3.97232199      -1.85397732       2.39980793    
 H   -3.81375217      -2.66333699       2.90595889    
 H   -4.61521530      -1.35323787       2.91776586    
 O   -2.10727692      0.113135591       1.69953012    
 H   -2.83508086     -0.484852642       1.92010045    
 H   -1.72323751     -0.205188677      0.874254882    
 O    1.57672966       1.93558550       2.30056262    
 H    2.20546556       2.51117682       1.87393427    
 H    1.51661587       1.12997139       1.75534666    
 O    2.59887838      -2.09499598       4.71291065    
 H    2.59820294      -2.36108065       3.78609300    
 H    2.33347964      -1.16413748       4.72348595    
 O   -5.15996218      -2.98891640       5.76819801    
 H   -5.44748497      -2.17195749       5.34276867    
 H   -4.47160149      -2.72779727       6.39344072    
 O   -3.03432870      0.187234774       5.38079166    
 H   -2.30552268     -0.192084447       4.87124157    
 H   -2.75704360       1.09090233       5.59094334    
 O   -3.56167293      -4.20951223       3.90347075    
 H   -4.21799994      -3.93142962       4.55999231    
 H   -2.69140959      -4.05819654       4.29475403    
 O   -1.81793821       2.57784963       5.68794870    
 H   -1.01850641       2.32086086       6.16153908    
 H   -1.57561231       2.65021300       4.75123072    
 O  -0.156339392      -1.05564535       7.74672365    
 H   -1.07493234      -1.34676886       7.70246124    
 H   0.366851687      -1.80453491       7.43780518    
 O    1.38262653     -0.375529438      0.907601416    
 H    1.77491868      -1.17613482       1.27845657    
 H   0.649672389     -0.669392288      0.355030835    
 O   -1.15539312       2.48868322       2.97776914    
 H  -0.228797302       2.42395496       2.71870112    
 H   -1.60326385       1.78247118       2.49567032    
 O  -0.942538917      -1.22942877     -0.524848640    
 H   -1.38957274      -2.03853321     -0.224848166    
 H   -1.13100135      -1.14301622      -1.45632195    
 O   0.500633836       1.48963964       7.03868961    
 H   0.247934297      0.597579479       7.33755827    
 H   0.884633660       1.93082428       7.79201317    
 O  -0.100253962      -3.93711519       2.28485417    
 H  -0.420632154      -3.89470267       3.19222546    
 H  -0.858304083      -3.74805665       1.71979880    
          69
 Ord_Energy   -248.336349    
 O   -2.04785156     -0.226349846      -1.64222550    
 H   -2.81686783     -0.626582921      -1.22063589    
 H   -1.46030939       9.55512300E-02 -0.942575276    
 O  -0.170007274       1.76468825      -4.76610041    
 H   -4.86294217E-02  0.876620412      -4.38331127    
 H   -3.70766409E-02   1.68050408      -5.70627928    
 O   -5.65880013       4.33676434       1.64329088    
 H   -5.01741362       3.62006617       1.52260113    
 H   -5.48116398       4.71972799       2.51245928    
 O   -4.63929224       2.88987589      -1.68451333    
 H   -3.89428949       2.71521449      -2.27682590    
 H   -4.67149878       3.83946466      -1.51853776    
 O   -3.64401102       2.51482010      0.917363644    
 H   -3.98541093       2.49286866       1.22354301E-02
 H   -2.99747109       3.23068762      0.949819565    
 O   -5.94281244      0.566855252       3.84318376    
 H   -6.58728027       4.97567393E-02   4.31807327    
 H   -6.42090797       1.02836728       3.12884307    
 O    1.93816578      0.246540576      -1.39433098    
 H    1.21914053      0.439137697     -0.767735183    
 H    2.65265727     -0.126862839     -0.885098457    
 O   -1.12243629      0.607358336       2.67186546    
 H   -1.20403945       1.28923881       3.34991527    
 H   -2.01324654      0.250644833       2.55874562    
 O   -6.28418922      0.854345798     -0.649344742    
 H   -5.67445898      0.108810030     -0.623475552    
 H   -5.83596754       1.54696012      -1.15293622    
 O   -1.59340119       2.60791087       4.61536169    
 H   -1.01031542       2.75521588       5.35604191    
 H   -1.70503771       3.46935821       4.17448807    
 O   0.117538519     -0.581063569      -3.42398524    
 H  -0.680332959     -0.653568327      -2.88278627    
 H   0.839862645     -0.434590966      -2.79939032    
 O    1.53973854       2.80263352      -2.67393208    
 H    1.05753946       2.55406952      -3.47274351    
 H    1.84209502       1.97252953      -2.28455901    
 O   -2.33165622       2.16501331      -2.99692035    
 H   -1.69518900       2.13898826      -3.72138190    
 H   -2.30263162       1.29252923      -2.57332826    
 O   -4.43016386       2.67992544       4.99919081    
 H   -3.48917747       2.48814297       4.90166140    
 H   -4.91867733       1.92201769       4.65707493    
 O   -2.13906622       4.88116598      0.637878418    
 H   -1.51524436       4.49302721       6.18772022E-03
 H   -2.88033748       5.24013758      0.136032745    
 O  -0.647467434       3.42921901      -1.13351870    
 H   0.202502370       3.38413882      -1.59463584    
 H   -1.30036449       3.07966423      -1.75499141    
 O   -2.11969662       4.97854900       3.41778731    
 H   -2.04592681       5.04795694       2.45607400    
 H   -3.02790284       5.21214581       3.64256382    
 O   -4.89185715       5.20013237       4.17534065    
 H   -5.25242329       5.73277283       4.87861204    
 H   -4.77724504       4.29943228       4.53271723    
 O   -3.81725144       5.86397797E-02   2.10597682    
 H   -4.52054119      0.105892710       2.76448154    
 H   -3.74249029      0.946103156       1.71620488    
 O   -4.28114796      -1.21994078     -0.258104116    
 H   -4.11392593     -0.853413343      0.627504230    
 H   -4.53498983      -2.13175297     -0.137595877    
 O  -0.232364222      0.937288046      0.128015339    
 H  -0.482946545      0.843962789       1.05900502    
 H  -0.384558201       1.85017598     -0.148031056    
 O   -4.65061665       5.53421354     -0.616019428    
 H   -5.07562399       6.34673691     -0.878203869    
 H   -5.11658478       5.21429110      0.176197857    
 O   -7.10668659       1.87151885       1.79919922    
 H   -6.86563396       2.80236268       1.74227762    
 H   -6.90492535       1.48497570      0.933333278    
          69
 Energy    -248.33632659150240     
  O     -0.78082290     -3.11814330      0.80812499
  H     -0.24597477     -3.20606523      0.00993900
  H      1.72835862     -1.84133319      2.59460352
  O      1.02513902      3.04159610      0.67118496
  H     -1.54541382     -2.57530963      0.58189403
  H      4.87294958      0.23238496      1.04464041
  O     -1.87186071      0.34693447      2.15131990
  H      1.98646515      3.11622892      0.61765607
  H      3.74275491     -0.04230425      2.05355228
  O      0.53044000     -3.08600476      3.15601761
  H      0.79986699      3.17767184      1.60058045
  H     -1.81588943      1.26092704     -1.54036390
  O     -2.98518542     -1.37892262      0.24573554
  H     -1.58386784     -0.10043031      2.96255025
  H     -1.29902301     -0.11694858     -1.92281558
  O      3.19272130      4.39739817      3.38181025
  H     -2.38638272     -0.27114202      1.61979146
  H      2.48183623      1.11444861      4.55353739
  O      4.14050118      1.86462516      4.41044647
  H      0.01699408     -3.14488874      2.32902174
  H      1.78365860      0.11899116      3.61496932
  O      5.12023575     -0.45228382     -0.71163855
  H      0.62123561     -3.97282895      3.49320931
  H     -1.99595915      2.11274221      2.48428002
  O      0.68782980      3.25988246      3.45737499
  H     -3.88590040     -1.63994701      0.07406771
  H     -2.43340079      3.51006106      2.01636942
  O      1.51438469      1.74809439     -3.13895214
  H     -2.73774795     -0.74258049     -0.45034770
  H      0.80101733     -2.27122100     -1.74404043
  O     -0.70970065      2.77295720     -1.54412276
  H      2.27070515      4.09591561      3.45383526
  H      0.84232343     -3.73416790     -2.25438677
  O      2.22060359     -1.10864702      2.20027047
  H      3.22772767      5.26707252      3.77178558
  H     -0.34518315      0.30941731      1.15302382
  O      4.47594138      0.55799186      1.86209901
  H      4.47603090      1.42488990      3.61881252
  H      0.74413154      1.27324412      0.61717451
  O     -2.09758141      0.33969411     -1.63049011
  H      3.96833710      2.77819376      4.15143729
  H      3.71852358      3.69408302      1.69691017
  O      1.61296101      0.75658835      4.31810236
  H      5.93124258     -0.83150130     -1.04024134
  H      4.03138868      2.24141058      1.27588579
  O     -1.92619355      3.05938099      2.68762358
  H      4.49466811     -1.18820372     -0.58924722
  H      4.22744920      1.07501382     -1.39968401
  O      0.93488995     -3.19742151     -1.47163276
  H      0.91835110      2.37878549      3.78445484
  H      3.84691543      2.46281437     -0.85064895
  O      0.50584411      0.33939028      0.69538064
  H     -0.27200736      3.28351751      3.33213198
  H      2.56834445     -2.76089942     -0.60210302
  O      3.79981418      3.11553867      0.92863377
  H      1.72772299      2.05460444     -4.01619852
  H      2.96558388     -2.08145372      0.72147423
  O      3.74996283      1.88500213     -1.61749728
  H      2.32533208      1.84072778     -2.60727658
  H      0.53896305     -0.26469498     -1.01103686
  O      3.31845350     -2.39365199     -0.12029341
  H     -0.03066291      2.53107331     -2.18549103
  H      0.91626880      0.14921324     -2.45754336
  O      0.56012796     -0.57623152     -1.92980162
  H     -0.21329917      3.01463492     -0.75147898
  H     -0.00889974     -0.24982937      4.58264405
  O     -0.74998447     -0.82335664      4.34776839
  H      1.61196843     -0.62037100      1.61957906
  H     -0.36253092     -1.66558657      4.07924379
          69
 Energy    -248.33627115460530     
  O     12.28407058      2.73856494    -11.71466574
  H     11.73785294      3.43264045    -12.10068021
  H     17.00714534      5.60539944    -12.99597887
  O     17.45312639      5.88966513     -9.84660793
  H     12.34369836      2.94517533    -10.77421933
  H      9.94473542      7.82150256    -14.83142031
  O     13.75554660      8.63169765    -12.24222894
  H     16.60057823      5.45041477     -9.72421779
  H     11.45391785      7.83633144    -14.53810285
  O     15.15952969      9.86895234    -15.97663469
  H     17.61690868      5.91790813    -10.79827660
  H     12.97758461      5.58006688    -12.36653888
  O     17.12274935      8.43750187     -9.00685645
  H     13.19938681      8.70516313    -11.45632715
  H     13.86776445      6.82843330    -12.13794769
  O     14.75232993      5.06008715     -9.58781972
  H     14.68055308      8.77194968    -11.99086100
  H     13.54162126      2.25349850    -12.85141088
  O     13.22039194      8.22334862    -14.88717465
  H     14.79457011     10.55328746    -16.53223784
  H     14.27262971      1.15594132    -13.65872154
  O     16.52450966      7.43800112    -16.75113046
  H     14.40827347      9.35844223    -15.63356052
  H     12.99816234      8.21479133     -9.35523362
  O     12.32067830      3.74228952     -9.04311797
  H     17.82085101      8.73901039     -8.43259992
  H     11.74236066      9.12280408     -9.41380088
  O     17.34237949      9.89010588    -14.12723979
  H     17.32318045      7.50992176     -9.23394441
  H     11.39317918      6.74521042    -10.12981751
  O     18.70044190      7.66103208    -14.86667791
  H     14.45635393      5.33049119    -10.47016121
  H     10.94067864      5.66536571    -11.13877654
  O     17.56061161      6.32376060    -12.65794677
  H     14.05201833      4.49106633     -9.24854947
  H     16.69388482      8.78536036    -10.79109906
  O     10.59810837      7.53154523    -14.19919305
  H     13.63851079      7.37803511    -15.11066437
  H     16.78438354      7.87406069    -12.04150773
  O     13.85476327      5.86517629    -12.08272486
  H     13.40329688      8.41600909    -13.95352610
  H     14.52740088      6.72944962     -8.80472797
  O     14.18389748      2.10074829    -13.56719043
  H     16.14394619      8.31610081    -16.62696977
  H     15.29860171      8.04649502     -8.60783556
  O     12.22897347      8.46319700     -9.90123226
  H     17.31352850      7.41509894    -16.19609300
  H     15.05548994      4.95836966    -12.96624263
  O     11.03815077      5.85039221    -10.19752113
  H     11.82439505      4.51351574     -9.37288955
  H     15.37386476      3.56328002    -13.54226213
  O     16.44153719      8.72140414    -11.71997605
  H     11.84823557      3.41549425     -8.28227804
  H     11.64731387      4.68566131    -13.76667214
  O     14.41624853      7.66052493     -8.56765434
  H     16.57473846      9.99040211    -14.70406103
  H     10.92538301      5.98599996    -13.35591568
  O     15.70329502      4.46846071    -13.49982072
  H     17.00613083      9.66013032    -13.25073843
  H     13.17579132      4.61244037    -15.44984737
  O     11.27855714      5.15716873    -13.00102401
  H     18.29997162      8.51475967    -14.62013364
  H     13.11096930      3.24377222    -14.73868336
  O     12.56426355      3.96270641    -15.07719525
  H     19.60589751      7.83949813    -15.10684445
  H     15.23237496      6.34018605    -16.14925472
  O     14.55283370      5.88791601    -15.62882058
  H     18.04895869      6.68036846    -13.41032806
  H     15.02168262      5.38902936    -14.94655447
          69
 Energy    -248.33621507285559     
  O     -4.72061029      0.97519819      1.55951481
  H     -4.45829667      0.24748578      0.96948657
  H      0.14545628     -5.94097951      0.91473011
  O     -3.42853453     -1.15315786      6.51482562
  H     -5.47889497      1.38305278      1.15039032
  H      2.07365163     -0.62678852      3.07301750
  O      0.93067184      0.73239513      2.17039886
  H     -2.48237347     -1.33852996      6.44293776
  H      2.38730659     -2.10542051      2.79002992
  O     -3.81599929     -0.07434407      3.92771895
  H     -3.65886652     -0.64221736      5.72631735
  H      0.16136570     -2.81909547      1.64940267
  O      1.85485790     -2.77024490      5.71319022
  H      0.17708048      0.36026089      2.66128811
  H     -0.99995294     -2.22567798      0.78133566
  O     -4.42963392     -3.64715494      6.15136309
  H      1.04684192      1.62353031      2.49203562
  H     -1.87022566     -3.85663058      1.98557782
  O     -0.84916207     -2.05264886      5.79475223
  H     -4.19908682      0.39667854      3.17365682
  H     -3.32329945     -4.35597025      1.76080273
  O      0.67322365     -5.15032368      4.60172613
  H     -2.87441844     -0.16855842      3.73140295
  H      2.11033062     -3.17364813      0.64581004
  O     -5.16960579     -2.52593059      3.62368970
  H      2.58397798     -2.73080949      6.32606016
  H      1.90240793     -4.28716896      1.73435041
  O      1.53111122     -6.03742364      2.20384068
  H      2.11400496     -2.24793173      4.93298652
  H     -5.06270514     -3.20708964      2.07187753
  O     -0.26430075     -4.09498605     -1.80771929
  H     -4.96783926     -3.94747657      6.87827334
  H     -5.71587779     -4.01095286      0.91928155
  O     -0.59171197     -5.73303594      0.32809240
  H     -4.12700290     -2.74843009      6.37734891
  H      1.34502485     -3.15458083     -1.42340238
  O      2.47766814     -1.40905727      3.45899132
  H      0.08885895     -2.24487860      5.91245183
  H      1.77111210     -1.74013418     -0.96382853
  O     -0.75603551     -2.51545333      1.66986468
  H     -1.25518206     -2.86282432      5.45172842
  H     -0.93936762     -0.95941987      4.35447462
  O     -2.46172971     -4.61591737      2.11074171
  H     -0.27006758     -5.02132556      4.76527007
  H     -1.04689250     -1.25335551      2.83989026
  O      1.91988544     -3.33516389      1.58122312
  H      1.12401509     -4.39862721      5.00400372
  H      0.93834017      0.20839145      0.39994674
  O     -4.90110751     -3.59816591      1.19187949
  H     -5.02645801     -2.98368059      4.45893554
  H      1.17423591      0.73915674     -1.02807764
  O      2.08298782     -2.64845220     -1.05850877
  H     -4.73762827     -1.66497140      3.70973184
  H     -0.63209000     -1.04565560     -0.91038454
  O     -1.07850652     -0.53845188      3.49524172
  H      2.11177635     -6.78187551      2.33483675
  H     -1.04499456     -2.49070944     -1.33563178
  O      0.91794684     -0.03906393     -0.53748004
  H      1.20551411     -5.77640801      3.08501251
  H     -2.26136722     -4.54255494      3.92644551
  O     -1.36153957     -1.67872917     -0.91578227
  H     -0.41304817     -4.60889042     -2.59692931
  H     -2.87385560     -4.30547072      5.33464542
  O     -2.04088238     -4.41859491      4.86062618
  H     -0.37957196     -4.70181168     -1.05431822
  H     -4.28687008     -2.01252564      0.34073453
  O     -3.98317581     -1.15852841      0.01032866
  H     -1.32668341     -5.49824719      0.91008392
  H     -3.12001717     -1.30984142     -0.39314116
          69
 Ord_Energy   -248.335724    
 O    1.09076428      -3.07643414     -0.310911626    
 H   0.602270722      -2.27267265      -5.02144583E-02
 H   0.881295979      -3.74622393      0.333939403    
 O    6.37935877       1.68948233      -2.71008277    
 H    6.07536650      0.768093586      -2.81213641    
 H    7.11075020       1.67046416      -2.09917092    
 O   0.918817699       1.68929780      0.673869073    
 H   0.959026217       2.05328536       1.55450559    
 H   0.992874503       2.44230700       6.03634007E-02
 O    6.06288147       2.54459500      -5.37851667    
 H    6.79488468       3.08509922      -5.66661978    
 H    6.27782345       2.26010776      -4.47734833    
 O    5.47767162     -0.819465935      -3.06137753    
 H    4.96388817      -1.34712458      -2.43859267    
 H    5.13243532      -1.02447391      -3.93960547    
 O   0.707394660       3.61881471      -5.59180880    
 H   0.369349718       2.87800336      -6.10782623    
 H    1.65500653       3.45864725      -5.48176289    
 O   0.964994311      -3.71892191E-02  -3.11436176    
 H   0.687733471     -0.959254503      -3.04012156    
 H    1.56759286      0.141632333      -2.38163805    
 O    3.31143022       2.71972561      -5.12488317    
 H    4.25232220       2.71392465      -5.34712791    
 H    2.96435046       1.83642960      -5.31408310    
 O    2.77659822      0.523970962      -1.06638110    
 H    2.20704651      0.855221450     -0.360615909    
 H    3.16549516       1.29118466      -1.50790250    
 O  -0.409750015       4.25320435      -3.21765757    
 H  -0.936934173       5.04219818      -3.31084585    
 H   -1.65358409E-02   4.07316351      -4.09046412    
 O    3.77145767       2.76417518      -2.38229036    
 H    4.70761633       2.53125906      -2.37302804    
 H    3.52063203       2.80436921      -3.31650043    
 O    1.38654196       3.67485714      -1.10628140    
 H   0.781697750       3.93280220      -1.81273305    
 H    2.24537873       3.52179956      -1.51999390    
 O   -2.39777541     -0.552563488      -1.56154633    
 H   -2.15723372      0.291506737      -1.96919203    
 H   -2.48777223      -1.17017961      -2.29526949    
 O   -1.95589280      0.211130425      -5.32697487    
 H   -2.09341097     -0.675398350      -4.97399664    
 H   -1.86128104      0.783021986      -4.55180883    
 O  -0.105421238       1.22103167      -6.99653673    
 H  -0.806207478      0.832051337      -6.44145489    
 H  -0.433934420       1.22475791      -7.89120054    
 O   -1.30168056       1.58378923      -2.99363542    
 H   -1.07232368       2.51881170      -3.00527406    
 H  -0.471793473       1.08270133      -3.01336837    
 O   0.305024564      -2.78813148      -3.00332880    
 H   0.464590520      -2.97239327      -2.06899357    
 H    1.12215769      -3.02042365      -3.47142124    
 O    2.82472944      -3.21024251      -3.91047382    
 H    3.32514858      -2.73497152      -4.58242559    
 H    3.15198398      -2.88171482      -3.06101537    
 O    4.27524757      -1.39619946      -5.57423830    
 H    3.50603890     -0.806996167      -5.65384293    
 H    4.70719385      -1.40173852      -6.42444897    
 O    3.54173231      -2.09224868      -1.39428318    
 H    2.83132291      -2.56432223     -0.943006873    
 H    3.34310293      -1.15431774      -1.24546587    
 O   -2.21500325      -2.25982237      -3.91717601    
 H   -2.69227576      -3.06805182      -4.08683395    
 H   -1.32180309      -2.51911855      -3.63306355    
 O    2.10213399      0.257322729      -5.59211874    
 H    1.70391428      0.138461173      -4.71594524    
 H    1.38848042      0.513225436      -6.18970490    
 O  -0.315459102     -0.865980923      0.229083836    
 H   -1.09601116     -0.774942338     -0.337961972    
 H    1.98653992E-03   2.44594608E-02  0.410535067    
          69
 Energy    -248.33554855176709     
  O     14.18806422      8.23511263     -9.66086724
  H     15.08773472      7.94231647     -9.47073605
  H     13.88943009      8.08684700    -16.06717775
  O     16.17275503      5.38742548    -14.71186515
  H     14.19191638      9.20075793     -9.66127233
  H     18.11353885      7.67276629    -16.49391545
  O     13.95650310     11.02922295    -10.20289989
  H     16.02933771      6.20914687    -14.21582468
  H     19.46597635      8.39832934    -16.69496675
  O     16.52292693     11.08262259    -11.50360434
  H     16.90228546      4.94063668    -14.26566955
  H     14.88189309     12.29299460    -14.65456564
  O     11.52954303      9.86476578    -14.97350281
  H     13.49310187     11.72517291     -9.74312585
  H     15.79855414     11.06130190    -14.43762583
  O     16.41457635      5.08884778    -10.95686279
  H     13.53167576     10.94189310    -11.07233352
  H     16.52014317      7.96705845    -12.64068009
  O     12.73087230      7.25615613    -14.86853410
  H     16.22331880     11.45463960    -12.34331253
  H     14.98625294      7.78115188    -12.84803403
  O     13.05996027     10.60386770    -12.79903246
  H     15.75193946     11.11258603    -10.92557368
  H     13.45820941      5.92205283    -11.97880120
  O     13.91863967     12.94094977    -16.05359436
  H     11.84730428     10.23748289    -15.80390297
  H     13.64523043      4.74253402    -12.93988635
  O     16.71078434      6.77143801    -17.08697108
  H     11.72768969      8.92092576    -15.02416373
  H     18.69258265      5.49360686    -13.19694635
  O     16.50771060      9.59535707    -15.15179803
  H     17.03479773      4.86266919    -11.65792706
  H     19.01485026      3.98773667    -13.03775537
  O     14.44925592      8.56067644    -16.69817965
  H     15.52345749      4.99286536    -11.32171443
  H     14.52782650      4.77684678    -14.88140795
  O     18.78126939      8.22809014    -16.05338569
  H     12.87201620      6.30738894    -14.97872568
  H     13.46209970      3.76508259    -15.37094858
  O     15.30519533     11.75368085    -13.97310035
  H     12.85686656      7.43122967    -13.92627635
  H     17.43458379      9.54636304    -11.51885598
  O     15.84170707      7.72905164    -13.28829196
  H     12.41587922     10.46880564    -13.50845912
  H     17.55832752      8.20824772    -10.72198910
  O     13.82519126      5.03380435    -12.03869628
  H     13.84560775     10.99871958    -13.20445543
  H     19.13933200      7.53728934    -14.28322830
  O     18.29464697      4.60876619    -13.09933867
  H     13.34118834     13.68662462    -16.20058301
  H     18.87780282      7.73585246    -12.76404761
  O     13.57578336      4.57399366    -14.87925010
  H     13.55112749     12.21138228    -16.57365850
  H     17.20419583      6.91479367     -8.52529524
  O     17.78320887      8.64227255    -11.55495746
  H     15.91041167      7.30138830    -17.17769662
  H     16.67712756      6.39691620     -9.88664335
  O     19.23926552      7.12240872    -13.41877636
  H     16.54408222      6.17593719    -16.34246514
  H     12.51800357     10.58296503    -18.28234379
  O     16.82109971      7.19952265     -9.35031694
  H     16.26130072      8.95219762    -14.46736036
  H     13.45834844      9.93355196    -17.24402060
  O     12.87159545     10.69247280    -17.40305196
  H     17.37012528      9.31968954    -15.48224859
  H     13.53642274      7.91762543    -11.23135463
  O     13.28184519      7.91335028    -12.16894449
  H     15.16152527      8.98182332    -16.19380665
  H     13.14611450      8.84195561    -12.40686779
          69
 Energy    -248.33533154308353     
  O     14.96539791     10.28815409     -9.44397915
  H     15.64281623      9.84150327     -9.97131645
  H     10.54863218      8.26800916    -10.26939006
  O     17.01318355     12.86888416    -13.51396761
  H     15.27661744     11.19127573     -9.30374194
  H     15.33131809      5.68891876    -11.05512874
  O     11.08376691     10.90987964    -14.66561064
  H     17.37385463     12.40152683    -12.73883421
  H     14.16088833      6.39818949    -11.74937102
  O      9.55229514      8.81477929    -13.39997686
  H     17.72997829     13.36990725    -13.89343464
  H     12.32021557      7.32558929    -10.52963252
  O     12.93830486     12.17575311    -13.05897968
  H     10.49604629     10.26322050    -14.25628579
  H     11.93500289      6.01592472     -9.81962559
  O     15.09233410     11.04713014    -14.40633073
  H     11.67900899     10.40833314    -15.23349348
  H     14.08288972     13.38318104    -12.17530016
  O     15.95554389     12.89736847     -9.46493879
  H      8.60602682      8.73960080    -13.48906734
  H     15.58079899     13.62576137    -12.44153805
  O     16.94488454      8.93605933    -10.93577282
  H      9.73995713      8.89065308    -12.44730451
  H     16.94377007      5.95371070     -9.05636799
  O     13.82199338      5.42799677    -14.41309803
  H     12.17408703     11.90122386    -13.58512380
  H     15.67659654      6.83355783     -9.18679243
  O     17.81531767     11.61796390    -11.24173853
  H     13.71158567     11.81619654    -13.51809981
  H     13.23886952      4.60093737    -10.80945552
  O     13.32425135      7.98904852    -12.05657282
  H     15.39720077     10.22080837    -14.00555049
  H     12.14236617      3.52549365    -10.75447152
  O     10.25126080      9.02268880    -10.79173909
  H     15.78409212     11.70094677    -14.24381738
  H     14.79801389      6.48515262    -15.39641396
  O     14.59847092      5.53820798    -11.66459954
  H     15.51248553     13.26313889    -10.25203871
  H     15.81438727      6.81739497    -16.51703716
  O     11.89996262      6.97929067     -9.73202316
  H     16.03585505     13.60941275     -8.83645335
  H     13.94235756      8.60955050    -15.99912397
  O     14.88057368     13.77263456    -11.79382864
  H     16.64319163      8.78968703    -11.84393648
  H     13.86301545     10.01613616    -15.40082526
  O     16.41489840      6.43650249     -9.68598666
  H     16.92382006      8.07490097    -10.50129620
  H     12.25351648      8.10312973    -14.84148365
  O     12.43935744      4.32867027    -10.33364812
  H     12.99433987      5.92483322    -14.35738699
  H     10.95063504      7.80584069    -14.04041710
  O     15.27984013      7.21071553    -15.83279755
  H     14.13628407      5.29988496    -13.50901973
  H     13.45647112      7.46292027     -8.72214500
  O     13.31531935      9.30429220    -15.76027936
  H     17.31916451     12.05989590    -10.54119300
  H     14.46081472      8.64151423     -8.62518509
  O     11.81777653      7.44950169    -14.27500058
  H     17.68012699     10.67092134    -11.11051681
  H     14.89537376      8.35031181    -12.94582030
  O     14.35774435      7.69445598     -8.46626741
  H     12.73993699      7.80335428    -12.80594584
  H     15.73300394      8.05680232    -14.21831952
  O     15.73384687      8.54754038    -13.38711196
  H     13.10139574      8.86308062    -11.70443685
  H     13.43085816     10.46042110    -10.37510605
  O     12.67076102     10.40280736    -10.96947809
  H     10.98323761      9.65512000    -10.75859776
  H     12.75153563     11.09272498    -11.64204931
          69
 Energy    -248.33523657527479     
  O     -0.42965531      1.12967609      1.77863992
  H     -0.35528264      1.90712856      2.34716994
  H     -1.88499901     -0.46100346      3.84384791
  O     -1.86413586     -1.58076897     -0.43223754
  H     -1.11008311      0.55419034      2.15244399
  H      3.68286813      0.63907484      4.22797868
  O      1.57731987     -2.25779754      4.40179020
  H     -2.09741951     -2.14992260      0.31139976
  H      2.24272194      0.78045329      4.81665704
  O     -3.51301824      0.49981231     -0.86629783
  H     -0.90237092     -1.50029593     -0.41828258
  H     -2.68704126     -3.85854618      2.17789232
  O      3.73431948      2.22737741      1.16472828
  H      1.98334336     -2.92383188      4.95205854
  H     -1.33214866     -3.12869985      1.99717137
  O      1.00530388     -1.36553703     -0.31900498
  H      2.14017090     -1.46815905      4.46317403
  H      1.72086338      4.66534666      1.13202881
  O     -3.76197662      1.68300870      1.74836223
  H     -2.96006857     -0.29201179     -0.72666639
  H      2.57881586      3.58110581      1.80138626
  O      1.30608177      5.19775867     -0.63620032
  H     -4.18112856      0.26231540     -1.50294564
  H      2.32690722      2.20630074     -1.68222024
  O     -2.63379197      4.09568782      2.28592210
  H      3.60656862      2.50068377      0.24525550
  H      2.32634973      3.68307762     -1.21386179
  O     -0.18450806      3.34451894      3.44239503
  H      3.17844372      1.44372201      1.28462815
  H      0.01781215     -1.23942863      4.93168132
  O      0.39026040     -3.11561577      1.91889619
  H      1.48439960     -0.91794387      0.39558806
  H     -0.20989453      0.23123739      5.33256122
  O     -2.40126393     -0.40161241      3.02538401
  H      1.11656389     -0.78588047     -1.08167666
  H     -0.80939543      1.56963808      0.08452569
  O      2.87245455      0.15231897      4.43888549
  H     -3.41901779      0.96315584      2.29643759
  H     -1.94117739      1.43512554     -0.96611535
  O     -2.30010735     -3.01581015      1.95909214
  H     -3.78974800      1.33238675      0.85060917
  H      2.36535130      0.02008477      2.65863772
  O      1.89501597      4.23891650      1.97964535
  H      1.37593153      6.07795163     -0.99597889
  H      1.17546764      0.45753048      1.76085372
  O      2.89364093      2.91408729     -1.35473374
  H      0.35695297      5.01962770     -0.51258376
  H      0.29475742      1.18596518     -1.78291345
  O     -0.66960579     -0.59265950      5.13074880
  H     -3.32185180      4.67122013      2.60984843
  H      0.88857130      0.75857107     -3.14495410
  O     -1.05995989      1.80305271     -0.82318750
  H     -3.05752863      3.23976882      2.09336497
  H      0.46028117      2.40227953      4.77433455
  O      2.07204257      0.08527367      1.74289823
  H     -1.01874549      3.71684185      3.13246905
  H      0.90413861      2.35171598      6.25236913
  O      1.07926266      0.80154477     -2.21056743
  H      0.54649094      3.74855303      2.94398646
  H      4.66882607      1.93062880      2.67235254
  O      0.84105413      1.82594471      5.45865877
  H      0.71707022     -2.65124881      1.13926366
  H      5.92863985      1.82583451      3.54779079
  O      4.99391044      1.63856856      3.54018031
  H      0.87509345     -2.77923157      2.68216109
  H     -1.75228399      4.48632888      0.62316941
  O     -1.27330059      4.51568317     -0.21232671
  H     -2.47241579     -1.29768774      2.67559757
  H     -1.24114706      3.60070076     -0.52564675
          69
 Ord_Energy   -248.335098    
 O   -3.67814231      0.330890685       2.25398755    
 H   -4.21159744      0.256644279       3.06724715    
 H   -2.97942138     -0.313338637       2.32263303    
 O   -5.45712900       2.78394437      -1.72284329    
 H   -4.96221352       2.40929627      -2.44677567    
 H   -5.43429995       2.13344026      -1.00047636    
 O   -10.0674133       1.78778195       5.33285104E-02
 H   -10.7146969       1.56070817     -0.609726727    
 H   -9.40121365       2.34664202     -0.383967072    
 O   -3.24442077       4.96132421       6.58943176    
 H   -3.27086997       5.53197527       5.80035305    
 H   -2.36397266       5.02966261       6.94835520    
 O   -8.04580021       3.38081479     -0.810884058    
 H   -7.27064180       3.16423774      -1.34311008    
 H   -7.71776915       3.45930767      0.100514621    
 O   -6.88484859       3.32154250       1.70917332    
 H   -7.43325567       3.15603733       2.48630238    
 H   -6.23890591       4.00282669       1.92283034    
 O   -5.20390701      0.332666665       4.47428703    
 H   -5.08523226       1.17162824       4.94028330    
 H   -6.15416431      0.197355762       4.38011026    
 O   -5.82106638       8.12168217       5.30633116    
 H   -6.07854700       9.03683567       5.23042011    
 H   -6.34499979       7.62686062       4.65355921    
 O   -4.87504053       5.32750177       2.17943001    
 H   -4.32476330       4.55649710       2.39624929    
 H   -4.85766745       5.46081638       1.21875334    
 O   -7.03402281       6.45831108       3.48739481    
 H   -7.81222725       6.45753670       2.91636491    
 H   -6.28023911       6.12781143       2.97684169    
 O   -5.80077505       6.07469559       7.34953022    
 H   -5.80657768       6.87422609       6.80799150    
 H   -4.90828466       5.71472120       7.27141333    
 O   -3.55979347       3.12181020       2.94375944    
 H   -3.95641160       3.03364539       3.82211423    
 H   -3.46528673       2.22495103       2.60764575    
 O   -8.16470146       3.90896983E-02   1.32044029    
 H   -8.84910011      0.569767237      0.895258129    
 H   -7.32639647      0.287272543      0.910959899    
 O   -5.66481543       1.16003191      0.495571107    
 H   -4.94219112      0.796651959       1.02318227    
 H   -6.04254150       1.89483678       1.00494027    
 O   -3.56075788       6.60969353       4.44174194    
 H   -3.86920071       6.25576353       3.60008216    
 H   -4.22734308       7.24933958       4.72351789    
 O   -4.81560326       2.93963766       5.45061970    
 H   -4.19929790       3.49871731       5.94117308    
 H   -5.65143490       3.42446756       5.43056154    
 O   -5.13781118       5.45870972     -0.504367828    
 H   -5.14209843       4.61677933     -0.971062541    
 H   -6.02616358       5.83292007     -0.606665552    
 O   -8.52604675       2.78320050       3.91571856    
 H   -8.13147259       3.30417657       4.62873840    
 H   -8.37610149       1.84641123       4.09179401    
 O   -7.13682127       4.51785135       5.51230240    
 H   -6.80216360       4.98179007       6.29274082    
 H   -7.15179920       5.17350721       4.80143404    
 O   -8.00099945       3.57563607E-02   4.02327251    
 H   -8.07507515      -2.76931208E-02   3.05363703    
 H   -8.51602364     -0.679149806       4.38803816    
 O   -10.2909126       3.84930182       2.06806707    
 H   -9.80014324       3.45666957       2.80485034    
 H   -10.3575325       3.15710855       1.40183461    
 O   -7.83060217       6.19408321     -0.609827220    
 H   -8.31925583       6.37110806      0.202175945    
 H   -8.06695843       5.28811455     -0.848235250    
 O   -9.30437279       6.37050962       1.85674393    
 H   -10.0399256       6.97591734       1.91030145    
 H   -9.68177414       5.47430658       1.90384614    
          69
 Energy    -248.33455534863813     
  O      0.80173185     -0.70700234      1.76320727
  H      1.54231085     -0.11098722      1.93541360
  H     -0.84756697     -1.04171126      4.91695828
  O     -5.44407410      0.24705716      1.99403441
  H      1.15045475     -1.48495656      1.31010202
  H      0.02563570      2.21507899      2.18218842
  O      1.03184389     -2.45798908     -1.90034029
  H     -4.87345350     -0.31913144      2.54594625
  H      1.55365008      2.36701403      2.07751756
  O      2.88013026      1.02716193      2.53727842
  H     -6.30365466      0.25865716      2.40530030
  H     -3.12976107     -2.06028098      0.55167816
  O     -1.54497278      3.94963629      0.38062348
  H      0.77473915     -2.93598957     -2.68435814
  H     -1.64433332     -1.70105756      0.47915516
  O      1.76308737     -3.12304108      0.73415768
  H      0.27271219     -1.90506931     -1.64605731
  H     -1.13817912     -3.40111921      1.86668816
  O     -4.55657621     -1.26613492     -0.30701654
  H      3.56003752      0.79439722      1.88903780
  H     -0.20590595     -3.47252526      3.10083612
  O      4.64364582      0.02893072      0.59014663
  H      3.03274497      0.47017617      3.31119867
  H     -1.67704407     -0.28375473     -1.21578488
  O     -3.04180315      0.91983631     -1.41966344
  H     -0.75292511      3.76631984      0.89928224
  H     -0.23528652     -0.01065760     -0.75637358
  O      2.81341295     -0.23816510     -1.36207358
  H     -2.24282596      3.37838727      0.73166188
  H     -4.12505018      1.46731995      1.48054621
  O      4.00604692     -2.27212765      2.15460394
  H      1.02929036     -3.55510813      1.19879600
  H     -2.59571437      1.49904649      1.72625419
  O     -1.61582508     -0.47341163      5.09675541
  H      1.54474596     -3.07261511     -0.20350878
  H      0.77934825      2.00164559      0.02485895
  O      0.72227074      2.72442654      1.74097586
  H     -4.19249370     -0.58436541     -0.88509756
  H      0.16233430      2.07527711     -1.40011279
  O     -2.28770153     -2.18044271      1.01559918
  H     -5.01469981     -0.78801711      0.39548033
  H      1.45055635     -1.75245708      4.55763180
  O     -0.39034119     -3.88204586      2.24937125
  H      4.02371712     -0.08876339     -0.15278151
  H      0.54479167     -1.55273983      3.35211545
  O     -0.85513273     -0.72341344     -0.96256123
  H      5.47169874      0.31445504      0.21423316
  H     -3.06512646     -1.09202384      4.01886127
  O     -3.30441752      1.88202449      1.18757117
  H     -2.55326382      1.61238259     -1.87926027
  H     -3.13752823     -1.64745374      2.58008970
  O      0.76460217      1.57062510     -0.83949389
  H     -3.16591927      1.24995853     -0.51596431
  H      3.56276524     -1.58843983      3.68242717
  O      0.55003541     -1.91261794      4.25237159
  H      2.14929274      0.45874392     -1.25905453
  H      3.94857676     -1.19780307      5.12816620
  O     -3.67847402     -1.31738511      3.31162276
  H      2.33751934     -1.02612628     -1.64461100
  H     -0.59871606      0.30139283      2.25495162
  O      3.26880963     -1.09030427      4.46825969
  H      4.35075675     -1.57590510      1.58214969
  H     -1.38447200      0.59997385      3.56025129
  O     -1.18361819      0.94515638      2.68298464
  H      3.29511987     -2.69890059      1.65576196
  H     -1.39539561      3.47437446     -1.29434841
  O     -1.26584677      3.04564609     -2.16041432
  H     -1.62038376     -0.30060915      6.03437837
  H     -1.25950492      3.73975868     -2.81380179
          69
 Energy    -248.33449880415361     
  O     15.88200528      9.31607031    -15.19763491
  H     16.09147794     10.20872325    -15.50062087
  H     17.31838048      4.09058044    -15.64511595
  O     15.11962928      6.97191281     -8.94816982
  H     14.93947121      9.14531303    -15.34228212
  H     15.45763402      7.72070464    -11.94203574
  O     16.83213606     11.86610049    -15.78007624
  H     15.58766039      7.81948524     -8.83602068
  H     15.34702756      6.70150372    -10.77651434
  O     12.76703156      8.41224510     -9.69322624
  H     15.32290235      6.44021165     -8.18389603
  H     16.47612993      7.98485125    -16.35650337
  O     13.26960704      8.44225781    -15.46137964
  H     17.64531155     11.62143296    -15.30042627
  H     16.84549796      6.49393633    -16.51507109
  O     17.79767339      6.55776502    -13.22704942
  H     17.10415444     12.29910085    -16.58447975
  H     18.57275421     13.13466757    -11.20753447
  O     11.30897006      7.85447127    -11.90216718
  H     13.47757935      7.82835618     -9.40234967
  H     18.04917010     11.69967659    -11.44612426
  O     15.71328579     12.93594457    -13.35933939
  H     13.08589864      9.30987026     -9.54048233
  H     14.89973655      6.98486291    -17.52435909
  O     12.01148051     10.10073141    -13.54837220
  H     13.28607731      7.77636682    -14.75692886
  H     13.80395971      6.73777347    -18.59030600
  O     13.83098633     11.45806875    -12.03941203
  H     13.33772506      7.95741296    -16.29294479
  H     15.82552571      9.34089752    -13.41435264
  O     13.94521715     10.99787025     -9.38276791
  H     17.01923805      6.53460991    -12.65557808
  H     14.97364456     10.06388290    -12.32205133
  O     16.97937206      4.95010922    -15.40966740
  H     17.58584647      5.99528094    -13.98109662
  H     18.80164450     11.74299909    -13.43977584
  O     15.42366230      6.77230115    -11.73480522
  H     10.42776563      7.61579469    -11.62705577
  H     19.11817800     10.30469951    -13.89894594
  O     16.55036349      7.27108776    -17.00538606
  H     11.81252550      8.04929231    -11.09148556
  H     17.06281547      9.78937885    -11.51652734
  O     18.13633154     12.57999689    -11.84898515
  H     16.51288168     12.91760087    -12.81879859
  H     18.57147967      9.49675196    -11.52321383
  O     13.94936348      6.80895148    -17.65131171
  H     15.98982645     12.66036092    -14.24131299
  H     14.01573996      6.51170977    -12.83748689
  O     15.64903560      9.38978246    -12.46399639
  H     11.67202967      9.39119588    -12.98856861
  H     12.50921413      6.86006562    -12.92358374
  O     18.94463578     11.19689942    -14.22315902
  H     12.36369413      9.66236784    -14.33356096
  H     20.35407625      8.30649518    -12.96206938
  O     17.88739356      9.97115881    -11.03516459
  H     14.39282093     12.06356762    -12.54529310
  H     18.86879958      7.90875311    -13.09454602
  O     13.25111006      6.50885144    -13.43135511
  H     13.13657715     11.09776425    -12.61114317
  H     15.52666928     10.04332983     -8.95608036
  O     19.46961033      8.66293391    -12.95453722
  H     13.57071858     11.72951218     -8.89907136
  H     16.93029090      9.62573008     -9.46072615
  O     16.25341206      9.42549864     -8.80162049
  H     13.88778453     11.22872697    -10.32692678
  H     13.82434096      5.33671971    -14.76006385
  O     14.25757852      4.90637149    -15.50969953
  H     16.00886004      4.87146491    -15.39668996
  H     14.02958269      5.43264969    -16.28574552
          69
 Energy    -248.33433883731533     
  O     -7.57776676      2.97106523      1.04591105
  H     -8.35197378      3.30056848      1.49442287
  H     -3.25015548     -1.56322788      2.69748909
  O     -6.05557821      1.40687776      2.65342757
  H     -7.08983840      2.42469683      1.68750982
  H     -1.00899572      1.44443433      2.68381938
  O     -2.90908419     -1.73592987      0.94586740
  H     -6.20864156      0.51516791      2.98887995
  H     -1.40651944      2.45427413      1.57341973
  O     -1.21963071      0.39521260     -2.40703788
  H     -5.34901184      1.82518247      3.16787849
  H     -3.70595112      3.79863888      0.71587687
  O     -4.67121241      1.86289189     -1.84381275
  H     -3.36820097     -2.19308328      0.23050856
  H     -3.28137560      2.33778149      0.95271367
  O     -4.50904690     -2.70557123     -1.12818666
  H     -2.03592920     -1.45918607      0.63488918
  H      1.28401994     -0.25618668     -0.25876544
  O     -3.76336406     -0.70561553     -2.78434632
  H     -1.53145188      1.28470197     -2.18417704
  H      2.12715762      1.01421749     -0.09218592
  O     -2.06717884      2.96152733     -1.71036651
  H     -0.34847783      0.49797212     -2.80961403
  H      2.16198804      3.23632242      1.33651558
  O     -0.59061241     -0.46226688      0.16210440
  H     -3.84110778      2.30723837     -2.06087131
  H      0.85819493      2.41698625      1.20784743
  O      1.45693885      0.89764643     -3.12373352
  H     -4.51906140      1.43328920     -0.98447854
  H     -6.50743216      1.21956186     -1.41988910
  O     -6.34473115     -1.30720925      3.18633115
  H     -4.26893972     -2.01950263     -1.77658776
  H     -7.47054379      1.58834317     -0.28442737
  O     -3.51407490     -1.26347829      3.58036116
  H     -4.62044137     -3.51760791     -1.61501021
  H     -1.40617332      0.54759676      5.01614120
  O     -0.71439559      1.83935715      1.85195817
  H     -4.23931542      0.12314389     -2.66275369
  H     -2.42776758      0.00201095      3.99151135
  O     -2.96330619      3.25533774      1.02026782
  H     -2.82799033     -0.46113942     -2.76033412
  H     -6.84527333     -0.71858125      0.01467594
  O      2.08776651      0.17793230     -0.57363461
  H     -2.29500610      3.17512142     -0.79862521
  H     -5.92912192     -1.96289186     -0.05644975
  O      1.66457078      2.68499096      0.73733644
  H     -1.14899144      3.24794463     -1.83621164
  H     -4.84223894      0.89475193      1.27571234
  O     -7.20490481      0.86072413     -0.86071633
  H     -0.83487236     -0.18897196     -0.73492989
  H     -3.72541457     -0.07209289      0.77434943
  O     -1.82234307      0.74232251      4.18051580
  H     -0.65650756      0.31893132      0.72704461
  H     -6.10576765      3.92006563      0.31318078
  O     -6.55814976     -1.50058403      0.50769168
  H      2.10008317      0.63584855     -3.77651283
  H     -5.19997453      3.57058636     -0.86727530
  O     -4.09607758      0.81124247      0.66846289
  H      1.78313565      0.58428796     -2.26113872
  H     -3.17776208      2.05847336      4.00687339
  O     -5.27714665      4.16941150     -0.11598062
  H     -7.00757757     -1.84889552      3.60520235
  H     -3.54255617      3.11111614      2.94835867
  O     -3.87449169      2.67103642      3.73871767
  H     -6.44004891     -1.43923179      2.22407341
  H      1.02836584      3.23641528     -1.00217426
  O      0.63462870      3.35857353     -1.87466183
  H     -4.47579895     -1.31919708      3.59010744
  H      0.98414196      2.64242276     -2.41933223
          69
 Energy    -248.33390916067759     
  O     16.03630573      8.44472416    -15.47561424
  H     16.67667989      8.44556686    -14.75152865
  H     16.55697535      9.25374342    -16.92696487
  O     14.29024578     11.74758265    -14.94727594
  H     15.17860992      8.62507793    -15.07305144
  H     16.19685641     12.45878932    -10.94787064
  O     20.00268876     10.67720142    -11.08101814
  H     13.85804639     10.92289206    -14.69878724
  H     15.41363463     12.37202538     -9.61996983
  O     20.01124516     13.18650374    -12.47080435
  H     15.20788953     11.65330850    -14.64864918
  H     18.59042067     15.78318537    -13.43926835
  O     14.66130623      9.50896705    -11.60974920
  H     20.09887529     11.59052331    -11.37669559
  H     19.53513243     16.72745228    -12.66411381
  O     17.46746044      9.63469757    -10.72535742
  H     20.33577450     10.13982316    -11.81042489
  H     19.92660415     11.70080085    -15.41284489
  O     17.84353287      8.90769450    -13.36503068
  H     20.24873528     12.72793143    -13.28918281
  H     21.36031831     12.28469470    -15.20435775
  O     14.97196807     11.90338561    -17.66292684
  H     20.03279841     14.13170198    -12.66265938
  H     15.28538179     13.59752171    -17.81047910
  O     18.01401556     14.42167127    -16.59954118
  H     15.47647360      9.07861477    -11.33534148
  H     15.05994363     14.95091838    -18.52754944
  O     18.37435877     11.68444761    -16.33394932
  H     14.75012431     10.40711942    -11.26456544
  H     19.66735189     15.19741927    -16.24177656
  O     13.60858116      9.14296397    -14.09401578
  H     16.90373270     10.37864556    -10.48315179
  H     20.28073756     15.75027861    -14.94327113
  O     16.86599251      9.75226114    -17.70506510
  H     18.37476543      9.97833977    -10.71330012
  H     17.43704367     14.89144630    -14.92632253
  O     15.65710544     11.87076726    -10.39407860
  H     18.79961423      8.94253385    -13.49556159
  H     16.06530105     15.09134480    -14.27233122
  O     19.51503432     15.92138023    -13.17453547
  H     17.68907842      9.05350178    -12.42011860
  H     21.76691217     14.27004937    -15.95105337
  O     20.67590410     11.72988837    -14.80183111
  H     14.63116468     11.80773674    -16.76232879
  H     23.15715050     13.79439056    -16.41157102
  O     15.46242072     14.55489872    -17.75961905
  H     15.58611878     11.17207231    -17.79049917
  H     21.38878336      8.78263117    -13.77008161
  O     20.49953104     15.49052019    -15.84531684
  H     18.18008968     13.46840882    -16.60428923
  H     20.72295272     10.15616353    -14.02383666
  O     17.01529280     15.15996105    -14.09713942
  H     17.19098198     14.56280877    -17.08475782
  H     17.17608339     10.55103651    -13.79664048
  O     22.38039488     13.51493248    -15.93603699
  H     17.99675954     11.03221125    -16.93497552
  H     17.04062214     12.03625482    -13.33069801
  O     20.63385045      9.31740358    -13.53900649
  H     17.82533200     11.65223692    -15.53375840
  H     14.27954177     13.65827423    -14.91124982
  O     16.89005950     11.43339507    -14.06758910
  H     13.95198084      9.24681748    -13.18901479
  H     14.71323735     14.69596888    -15.95774301
  O     14.50852981     14.59067271    -15.02014117
  H     12.81061899      8.62537130    -14.02576717
  H     17.07754139     14.00247050    -12.70019486
  O     17.28096097     13.31238255    -12.05330625
  H     17.00017868      9.11545254    -18.40159955
  H     18.24322401     13.21037135    -12.05983860
          69
 Energy    -248.33372765036745     
  O     17.25662903     12.90938382    -18.10790786
  H     18.13516467     12.64611126    -17.80360143
  H     14.06470530     14.41997280    -12.91760963
  O     19.75506819     17.22571623    -14.56575046
  H     17.34116470     13.83517904    -18.36814440
  H     21.66330852     14.67212356    -14.86914000
  O     19.24575009     10.68378680    -14.69687428
  H     19.99262146     17.79460019    -13.82327352
  H     20.73504237     15.70612977    -14.19544079
  O     16.59511555     16.01191968    -11.81296502
  H     18.79662289     17.09539914    -14.52468583
  H     17.71407695     14.64790235    -11.28185682
  O     16.19642249     12.27254588    -11.98610048
  H     18.30543945     10.54986886    -14.53261538
  H     18.88898473     14.30534424    -10.33666916
  O     13.83001517     14.36259340    -14.64655165
  H     19.54439585     11.29087173    -14.00365884
  H     15.87868891     11.87060649    -15.38065662
  O     19.63852017     12.58383883    -16.63625981
  H     16.73332628     16.25617346    -12.73932315
  H     16.17669542     12.62961764    -16.72417153
  O     21.84219398     14.17554658    -16.69637676
  H     15.74847349     15.55096271    -11.77371366
  H     20.62789096     15.60911141    -17.15085421
  O     18.54233537     17.54536630    -10.48202254
  H     15.48395299     12.92154398    -11.94331774
  H     19.88957299     16.70677781    -16.36402577
  O     19.78976473     12.84131649    -12.99251003
  H     16.94204919     12.67625914    -11.52476258
  H     21.44781448     17.04416527    -11.73193742
  O     15.46769688     15.67148138    -16.64026194
  H     14.33579117     13.62658650    -15.02030797
  H     21.77713667     15.66653980    -12.33409017
  O     14.28079631     14.40209852    -11.96884490
  H     14.01409520     15.10447242    -15.23131173
  H     19.67675119     18.28462400    -11.58052786
  O     21.31479003     14.95156319    -14.01468814
  H     19.11459555     13.23708384    -16.14900949
  H     20.56466451     19.49086319    -11.97143036
  O     18.25856034     13.91685622    -10.95592697
  H     19.59973784     11.78152310    -16.09433400
  H     20.77927156     15.59573163    -10.17430342
  O     15.71230030     12.68571676    -15.87363593
  H     21.12788411     13.51601765    -16.74519716
  H     20.63259269     15.25025523     -8.67269823
  O     19.89964724     16.23777786    -17.20853595
  H     22.57790835     13.82421066    -17.19061116
  H     15.99114353      9.79079564    -13.92039852
  O     21.76142252     16.15999653    -11.50397026
  H     17.77221994     17.11263819    -10.87443235
  H     16.33611981     11.17577264    -13.32196145
  O     20.37693079     18.58201358    -12.18939533
  H     19.01299208     16.85998589     -9.99204829
  H     18.51182488     13.48494679    -14.14175633
  O     20.13670058     15.36791429     -9.47813578
  H     20.40203704     13.53147901    -13.28441505
  H     17.21669903     13.45284812    -15.03142935
  O     16.39445462     10.63010122    -14.12745600
  H     19.33299990     13.17114373    -12.20685444
  H     18.40149236     15.92561403    -18.04979621
  O     18.00701058     13.96173960    -14.81379759
  H     16.11524929     15.82428757    -17.34226895
  H     17.62406736     16.17971120    -19.35987298
  O     17.56842005     15.73715726    -18.51672327
  H     15.53037480     14.72695639    -16.45821617
  H     17.50878844     15.58631243    -14.56488411
  O     17.10512241     16.46958297    -14.49484319
  H     13.45232098     14.42489029    -11.49691604
  H     16.44480724     16.48078355    -15.19581206
          69
 Energy    -248.33345775887395     
  O     14.25396076      9.51554751    -17.34715573
  H     13.65490984      9.87422706    -17.99639893
  H     15.52447808      3.20929985    -13.21272339
  O     15.86976625      6.59576312    -12.10913313
  H     13.84201585      9.66645650    -16.47640514
  H     20.78811461      7.71082408    -11.67255490
  O     19.16476577     10.52066716    -13.10163866
  H     15.75762042      5.67860288    -12.38123225
  H     19.70018326      7.45771176    -12.74370056
  O     19.90527192      7.55485999    -16.86835296
  H     16.09565957      7.08388308    -12.91736847
  H     16.09502488      7.58606269    -15.16220283
  O     13.58451445      5.67534542    -14.84355015
  H     18.77767929     10.93225918    -12.31158864
  H     16.56007943      8.83196556    -14.33962151
  O     15.08077365     11.84486640    -10.00225567
  H     19.51906699      9.68108743    -12.78599518
  H     12.65826380      9.03307770    -14.53173135
  O     13.65408572      8.14157563    -11.49599687
  H     19.69492557      8.46363672    -16.57801933
  H     13.46936872     10.28269753    -14.14907082
  O     16.51490245     10.59322498    -14.06801476
  H     20.77484724      7.58759115    -17.25710883
  H     18.35626724      8.13871739    -10.86200351
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  H     16.91771555      7.61994370    -11.00110118
  O     15.05682749      9.22004104     -9.27452397
  H     14.10476822      6.07432809    -15.55468373
  H     12.52442149      6.80291841    -14.08203693
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  H     14.78127794     12.43783273     -9.31896889
  H     11.07026474      7.19622043    -13.72565408
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  H     14.39121045      7.54076594    -11.67916037
  H     18.48947204     10.30323226    -16.35536174
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  H     12.96180196      7.91332285    -12.12827515
  H     16.89773393     11.52145643    -10.59996879
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  H     17.36493987     10.65463643    -13.61455151
  H     17.86626277      5.71556146    -18.55521331
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  H     17.56400834      4.88127008    -16.07255952
  H     18.44476094      6.61423254    -17.44250739
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  H     18.25059545      5.15517520    -14.73612577
  H     14.45928167     11.25903459    -11.68025217
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  H     14.43351672      8.80003678     -9.88250895
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  O     17.68535348      6.06053088    -17.68363908
  H     15.92235047      8.85153170     -9.49325491
  H     15.99461726     10.38051099    -17.14464390
  O     14.27404119     10.71081336    -12.45206808
  H     19.55282116      6.99420055    -15.10588862
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  H     18.24306698      7.19233737    -14.30796037
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  H     16.29974171      4.22001697    -14.08857739
  H     14.91615354      7.84750427    -17.03045267
          69
 Energy    -248.33325600092297     
  O     -0.76415474     -0.22692337      2.71739983
  H     -1.59674171     -0.40133860      3.18939833
  H     -4.40774400      1.97544803      2.79061032
  O      0.28090724     -0.08572466      6.97366218
  H     -0.98188838      0.39841889      2.01649346
  H     -2.24621657      6.07909749      4.03032481
  O     -6.35796236     -1.82182267      3.89910960
  H      0.08278661     -0.94385703      6.55630823
  H     -3.06924042      5.01570458      3.26937513
  O     -4.78723318     -0.80935848      1.72903097
  H      0.98978820     -0.23740137      7.59271052
  H     -2.29348394      3.79938797      5.24935557
  O     -3.24870390     -2.32434087     -0.11211261
  H     -6.04080130     -1.45529452      3.06431582
  H     -1.47164739      2.49749458      5.38076462
  O     -1.69708134      1.73517388      0.95192996
  H     -5.86227071     -2.64083198      4.01585377
  H     -5.16834204      5.06795449      1.83479725
  O     -1.66081069     -0.25458134     -0.93920709
  H     -4.18709622     -0.84000118      2.49083540
  H     -4.38066075      3.75178705      1.84661087
  O     -0.05192831     -2.83612377      2.96485132
  H     -4.37339086     -1.34205134      1.04121355
  H     -1.44377396      0.51876292      7.49832972
  O     -0.37952785     -2.41254252      5.78482926
  H     -3.59074955     -2.74413794     -0.89788592
  H     -2.37851584      1.68862635      7.14366426
  O     -3.14108437     -2.56442300      5.98338747
  H     -2.65562644     -1.61507321     -0.41281995
  H     -0.98435205      4.12252146      3.01651693
  O     -4.61345648     -4.10456070      4.18538901
  H     -1.18892048      2.41537015      1.41760707
  H     -0.07168881      2.93389368      3.36021590
  O     -4.36205986      1.94758921      1.81979802
  H     -2.61869321      1.83333917      1.22734533
  H     -3.14004196     -1.26081638      4.67997784
  O     -2.35258367      5.13802177      3.91504324
  H     -1.09635140     -0.01216268     -1.66885714
  H     -3.54400399      0.19130397      4.25796708
  O     -2.22996514      2.97574017      5.74837793
  H     -1.65868950      0.50832799     -0.33856806
  H     -3.63647080     -0.26367366      7.84659184
  O     -4.31518852      4.69838915      2.04969726
  H     -0.21183263     -1.89045148      2.79833335
  H     -4.58156884     -1.00674990      8.82093233
  O     -2.33301748      0.86472334      7.64386584
  H      0.75322188     -3.06374786      2.50688544
  H     -6.25270537     -0.56165249      5.23867451
  O     -0.38082253      3.47947073      2.62565127
  H     -1.32824589     -2.55572469      5.91491989
  H     -5.59333045     -0.26866675      6.61402381
  O     -3.10521442     -0.61761947      3.96296192
  H     -0.19550453     -2.64892082      4.86927084
  H     -1.77870061     -3.52224291      2.55137182
  O     -4.33850784     -0.93784613      7.90171131
  H     -3.63820263     -2.12706141      6.68689602
  H     -2.84796989     -3.30675025      1.46164261
  O     -6.06625026      0.13995245      5.88065829
  H     -3.72665667     -3.16731055      5.50741224
  H     -0.20956765      0.92008947      4.04328837
  O     -2.68341535     -3.74766071      2.30377718
  H     -4.89259481     -5.01588082      4.16047347
  H      0.21635307      1.07767542      5.51790831
  O     -0.01810174      1.57796563      4.72637025
  H     -3.93841699     -3.99966755      3.49060867
  H     -5.06482819      1.32349609      5.07448844
  O     -4.40884779      1.77410958      4.51972014
  H     -4.65231369      1.05829776      1.58221355
  H     -3.75098834      2.21671589      5.06880621
          69
 Energy    -248.33320502198933     
  O     15.52175205      5.35986843    -14.14453195
  H     16.17014523      5.32922467    -14.86281556
  H     18.01813839      5.83528477    -12.29303312
  O     17.13338840     13.90335509    -13.03135222
  H     16.01462162      5.54995635    -13.33810106
  H     21.30377396     10.18084038    -15.59728999
  O     20.19019761      8.43106787    -13.37077668
  H     17.45443656     13.63959569    -12.16010804
  H     22.79318297     10.02004852    -15.20257509
  O     16.55503614      7.27432385    -18.41546910
  H     16.19804529     13.66177236    -13.05134162
  H     18.63792266      8.18973346    -14.39804360
  O     15.48276200     11.32025034    -10.91231771
  H     20.87010134      8.80787330    -13.94344332
  H     17.71787087      7.24802251    -15.24427647
  O     15.40967406      8.79107784    -13.80109686
  H     19.79494205      9.15821293    -12.87092271
  H     16.06312542      8.78307735    -12.20219569
  O     17.88125225     11.74915924    -14.57447106
  H     16.20938808      7.07616862    -19.28150553
  H     16.83883215      7.77649683    -11.35109669
  O     19.52281764      5.75718460    -13.17336257
  H     15.89626181      7.84185043    -17.97443922
  H     14.29220433      8.23346720    -16.44923113
  O     13.64489828      7.05325915    -15.06923818
  H     16.27811260     11.80948037    -10.66522832
  H     14.88007389      9.65315530    -16.63949095
  O     20.07215453      5.05242787    -15.92838712
  H     15.73973237     10.39072847    -10.90443166
  H     18.38167980     11.83128597    -11.14281870
  O     17.37296791      5.69477852    -16.18982009
  H     14.72871242      8.19367673    -14.13192812
  H     18.66955439     12.76626017     -9.94602176
  O     17.17094645      5.92246711    -11.82096465
  H     16.25061955      8.54236571    -14.22041153
  H     17.94189532      9.81796151    -11.92765850
  O     21.95791668      9.56219011    -15.22140404
  H     17.72897570     12.59703125    -14.13147787
  H     18.35163055     10.81282922    -13.07400638
  O     17.82289563      8.15087309    -14.91371448
  H     17.03483767     11.48366750    -14.95463346
  H     13.68819975     13.15499963    -12.79476277
  O     16.59354064      8.70754862    -11.39128609
  H     19.89022262      6.65311454    -13.14833832
  H     14.78109807     12.18146174    -12.30404046
  O     14.76227608      8.80044141    -17.07402844
  H     19.73167948      5.41096137    -14.04742981
  H     21.44011604      8.08155909    -16.31808833
  O     18.03520904     12.58404001    -10.63424430
  H     14.25367146      6.35949263    -14.75457216
  H     20.18668867      7.92851766    -17.19353992
  O     18.63660528     10.41921608    -12.23496538
  H     12.75972796      6.73779513    -14.91012491
  H     15.24877164     10.27733420    -14.71166859
  O     14.50454685     12.73564160    -13.05499789
  H     20.64812204      4.35571007    -16.23079305
  H     14.86801960     11.75763130    -14.69284429
  O     20.93825998      7.43901721    -16.83273040
  H     20.44661820      5.89024405    -16.25667734
  H     19.30670744     11.41420781    -15.68277574
  O     15.21888089     11.06990440    -15.27167099
  H     18.28302148      5.37227475    -16.23039693
  H     19.54617901     10.48518447    -16.88780129
  O     19.99671116     11.07529799    -16.26956002
  H     17.14871110      6.11641222    -17.02928822
  H     17.99373085      8.46056651    -18.01043856
  O     18.63297924      8.93398459    -17.46754733
  H     17.17147169      5.24822253    -11.14529168
  H     18.32896462      8.80920382    -16.55509511
          69
 Energy    -248.33281207379770     
  O     -9.16989116     -1.73006148      5.44871584
  H     -9.40575272     -0.94951190      5.96656457
  H     -4.55785686      0.00243950      1.53720350
  O    -10.85103807      0.49931064      2.02866422
  H     -8.25354308     -1.94775117      5.65241284
  H     -7.54150491     -0.28792566      2.99759232
  O    -10.30984037     -2.11771239      3.04440501
  H    -10.76454514     -0.40806391      2.34299904
  H     -7.02174965      0.49293242      4.25592055
  O     -5.49685705      0.73968660      0.12380697
  H    -10.65428671      1.06215718      2.79150703
  H     -6.00989174     -2.50232520      4.92719682
  O     -6.08099495      0.39393821      5.83007185
  H    -10.92325185     -2.84418493      3.11202820
  H     -6.02305841     -3.09795739      6.35633597
  O     -3.37183121      4.44792139      1.75524944
  H     -9.93459702     -1.98439456      3.93510243
  H     -0.89519299     -0.10707661      1.33849843
  O     -9.97356437      0.64267033      6.79152973
  H     -6.11686507      0.14382717     -0.30822299
  H     -2.35393391      0.15381542      1.77794565
  O     -5.46887300     -2.50584066      3.28580491
  H     -6.05200956      1.40902174      0.55189009
  H     -8.61792463      3.41929411      4.63828277
  O     -3.18203140      2.38219546     -0.01641304
  H     -6.00551171     -0.56319145      5.92119523
  H     -7.18318744      3.97801636      4.45854772
  O     -9.82799783      1.85028868      4.22069083
  H     -5.28054264      0.75020939      5.41809157
  H     -7.82558724     -1.50488877      0.99759702
  O     -7.84464707     -0.69742561     -0.70377333
  H     -3.32950989      3.76235578      1.06529024
  H     -8.68140027     -2.00508615      2.20513436
  O     -4.02700965     -0.28723126      2.29170925
  H     -3.07901143      5.26161078      1.35293649
  H    -10.07027311      1.07710668      0.63256783
  O     -7.49566219      0.57845357      3.41900735
  H    -10.59155079      0.73700779      7.51083424
  H    -10.14664972      1.97124607     -0.63028748
  O     -6.36797172     -2.38503352      5.82579207
  H     -9.19389750      1.18265080      7.01967809
  H     -7.79575467      2.87748780      6.57470647
  O     -1.53694616      0.58490777      1.47498038
  H     -4.86079878     -1.82624356      2.96803927
  H     -7.09844323      1.52999324      6.83770600
  O     -7.92806579      3.93697249      5.06982942
  H     -6.26482001     -2.41491920      2.74358513
  H     -2.22640986      3.38888079      2.92468835
  O     -7.78239610     -1.80110140      1.91404010
  H     -2.50866171      1.79676768      0.35321113
  H     -1.53899181      2.01700393      2.79650927
  O     -9.56008023      1.41132877     -0.12907254
  H     -3.96699146      1.83283518     -0.13597150
  H     -4.81702482      2.37136517      3.96922336
  O     -7.77507830      2.12716601      7.18633803
  H    -10.04299211      1.51693512      5.10065015
  H     -3.32616626      1.99194316      4.16235554
  O     -1.81237854      2.68372404      3.43873783
  H     -9.02495213      1.37495569      3.95636544
  H     -8.12419763      2.23702168      0.86484659
  O     -4.22958803      1.66234462      4.26614587
  H     -8.09193560     -1.12289579     -1.52142506
  H     -7.38692441      1.74918238      2.13894476
  O     -7.32833669      2.36766056      1.39017067
  H     -8.46192876      0.04100064     -0.57315939
  H     -6.30444306      3.42376747      2.46656001
  O     -5.73164001      3.76848817      3.16623665
  H     -4.14821167      0.36877424      2.99436314
  H     -4.95557157      4.13804126      2.72565738
          69
 Energy    -248.33276800257116     
  O     15.73408266      9.43263126    -16.79668953
  H     14.81398931      9.58092452    -16.54587443
  H     17.69550234      6.60766998    -11.33351874
  O     15.78771295      4.31434498    -12.81797839
  H     16.21587082     10.26328524    -16.69076415
  H     19.39342048      9.09035002    -16.97041599
  O     19.29658334      8.66455239    -13.87294761
  H     14.99377809      4.87962236    -12.84440444
  H     19.50470438      9.50789212    -15.49337270
  O     14.91810698      5.45924552    -17.40425191
  H     15.52037476      3.47996395    -12.44300453
  H     16.75090115      6.96278710    -14.89219062
  O     17.67381851      9.17638416     -8.08290763
  H     18.40276371      8.39103233    -14.13356933
  H     16.42933394      8.39512850    -15.42807011
  O     15.12970743      8.37009014    -12.47142993
  H     19.77078008      7.85916059    -13.63582398
  H     13.30863263     10.00937993    -14.92781583
  O     16.52770217     11.65386119    -13.56251100
  H     14.62510485      4.86510148    -18.08978428
  H     12.32394268     10.06516530    -16.11862742
  O     20.28543358      6.12777325    -13.20856811
  H     15.51380140      6.10532138    -17.82604816
  H     17.56952458      8.95892773    -11.09863356
  O     13.71545944      6.00590722    -12.99819860
  H     18.16260532      9.93439170     -8.44547496
  H     17.23046729      8.43401514     -9.68275561
  O     19.42854503      5.61167608    -15.87628422
  H     18.15891641      8.89792300     -7.31028493
  H     13.67648945      6.35140557    -16.26558385
  O     16.74498306      5.17312706    -15.29932910
  H     15.68596927      8.19076165    -13.24551698
  H     13.10352997      7.68939298    -15.73751468
  O     18.01613439      5.82091223    -11.79420078
  H     15.70778265      8.31499629    -11.69892283
  H     18.84801754     10.98504659    -10.32326411
  O     19.37917259      9.85804896    -16.38633678
  H     16.79515112     11.69229362    -14.48924507
  H     19.20315405     12.14888655     -9.38574312
  O     16.74023910      7.90059063    -14.65955809
  H     15.60764097     11.37112580    -13.55144908
  H     18.83998675      9.84089084    -12.58457160
  O     13.13358307      9.66014140    -15.81662473
  H     21.01938954      5.80377112    -12.69447563
  H     17.70259411     10.88805633    -12.45057994
  O     17.13613894      8.23520533    -10.62358949
  H     19.48044735      5.96677042    -12.68175568
  H     20.05258710      7.19330039    -18.51178648
  O     13.09522258      6.73684929    -15.59847199
  H     13.40958957      6.18479277    -13.89946340
  H     19.44079385      6.77333207    -17.15635476
  O     19.01221109     11.21462387     -9.39375242
  H     14.09390938      6.83747443    -12.68480300
  H     14.25343884      9.77433564    -12.93231662
  O     18.35958645     10.38596487    -11.94655088
  H     18.51331084      5.34255488    -15.71376044
  H     13.35212189     10.98257103    -12.58054126
  O     19.38224887      7.42839414    -17.87539995
  H     19.82336605      5.73306545    -15.00509582
  H     18.13713007     11.03823859    -16.34669335
  O     13.82519507     10.56981607    -13.29875441
  H     16.39770618      4.76884816    -14.49393751
  H     17.59583340     12.42375100    -16.77600869
  O     17.36439034     11.63205854    -16.29833379
  H     16.06548887      5.13298387    -15.98420277
  H     17.54370860      7.33341457    -18.28722136
  O     16.58433249      7.33196778    -18.38713704
  H     17.24429499      5.31427105    -12.06968598
  H     16.27072260      8.13491428    -17.94695449
          69
 Energy    -248.33266612573243     
  O     14.94121730     14.69895834    -14.87039912
  H     15.07210763     14.17181258    -15.67068275
  H     13.69063735     10.34605583    -14.99277778
  O     17.82912299      7.61501364    -15.66427920
  H     15.76482057     15.20088239    -14.76466288
  H     17.06321852     10.05187494    -17.71659216
  O     14.58561579     11.02075121    -11.70453393
  H     16.93332760      7.51886957    -15.29802898
  H     17.90411198      9.09313877    -16.83685223
  O     17.50375064     15.62495177    -14.63409278
  H     18.12855118      6.73666267    -15.88668682
  H     14.63592503     10.10950045    -18.77861452
  O     15.33241769      7.61244549    -14.57279884
  H     15.24489460     10.33560151    -11.88327450
  H     14.82045716     10.24320362    -17.24848401
  O     12.91814784      9.30455412    -10.24574702
  H     15.00684575     11.88121542    -11.83247625
  H     18.87760067     13.12722394    -13.07591022
  O     14.70018041      7.25942829    -10.35502853
  H     17.88414163     15.25122483    -15.44387216
  H     19.22959470     14.07854758    -11.90945558
  O     16.50837408     11.56183563    -14.61664639
  H     17.95218472     15.17637130    -13.90962098
  H     13.24874063     14.14465854    -14.49979877
  O     12.63283387     11.03864485    -13.66807248
  H     14.63673750      7.17508176    -14.06025495
  H     11.77484128     14.42241124    -14.17959934
  O     16.24250279      8.79585146    -12.15696817
  H     14.94084339      8.40127552    -14.97453926
  H     18.58387899      8.57691763    -14.16797400
  O     19.27042339     11.70343884    -14.05202573
  H     12.26312216      9.12371774    -10.93087010
  H     17.99644705      9.04289139    -12.82495172
  O     14.43710423     10.02990259    -15.51712559
  H     13.45968199     10.02833548    -10.59226318
  H     13.80219719      6.75560551    -11.99673270
  O     17.95261864      9.88670384    -17.38435321
  H     14.04910432      7.96691087    -10.19767826
  H     12.66090545      7.36954928    -12.82960599
  O     15.21916005     10.45760810    -18.10921405
  H     14.80008228      6.78725145     -9.53323422
  H     18.92685877     13.47052514    -16.89734886
  O     18.55823748     13.88685746    -12.55902479
  H     17.46298498     11.48332275    -14.51148448
  H     17.46534508     13.88745636    -17.09785813
  O     12.40415867     13.71439220    -14.29523570
  H     16.20420651     12.12473271    -13.89336994
  H     16.73511988     13.59065276    -12.42627722
  O     18.77360417      9.12036750    -13.39414549
  H     12.45733890     11.96031835    -13.90373814
  H     15.44272602     13.89390974    -13.24356085
  O     13.38963738      6.73760322    -12.86920284
  H     13.30327654     11.04872537    -12.96761937
  H     16.15107655     12.52593246    -16.13105412
  O     18.34456195     14.23808198    -16.90254125
  H     15.94202361      8.41542965    -12.99389168
  H     15.54068065     12.28734867    -17.52070839
  O     15.81251636     13.32928855    -12.55146906
  H     15.87254680      8.23541728    -11.46264677
  H     10.46074747      8.78647845    -12.80817894
  O     15.80908424     12.98490136    -16.91454364
  H     19.23577667     10.77622102    -13.76785234
  H     11.74114613      9.61020477    -13.07095070
  O     11.39999842      8.80737762    -12.64243664
  H     19.59389216     11.73392591    -14.96152546
  H     20.59474804     11.60519031    -17.32900827
  O     19.82418815     11.75283585    -16.78704123
  H     15.21725158     10.50815419    -15.19129318
  H     19.16317591     11.08855159    -17.05265619
          69
 Energy    -248.33264022283456     
  O     11.71711606      4.92577446    -14.76509753
  H     11.48017301      5.35823466    -13.92476462
  H     16.28426787      5.22611848    -13.20249844
  O     16.76797795      6.26521857    -11.82107823
  H     10.89956393      4.69037822    -15.19482157
  H     19.16547623      8.84828051    -13.09975935
  O     16.01948945     10.82924375    -11.72298091
  H     17.39707008      6.59170575    -11.16760187
  H     19.07827718     10.19529054    -12.36333222
  O     17.55159423      9.57797267    -17.03533009
  H     16.49838787      7.05569029    -12.31871587
  H     16.16319009     11.63042428    -14.89882034
  O     13.70049733      3.43349411    -13.30395661
  H     16.82014137     11.33340177    -11.90693213
  H     17.22903016     10.99744579    -15.82586524
  O     14.06566003     10.22984719     -9.95668103
  H     16.13144835      9.98277449    -12.18310619
  H     16.91917014      8.50177337    -13.84808004
  O     14.51603978      6.11684906    -10.23783979
  H     17.86527283      9.77703907    -17.91370375
  H     15.35366071      8.62495968    -13.69165246
  O     14.51751553     11.46360572    -14.12669340
  H     16.93539403      8.82936569    -17.12399972
  H     11.60007540      5.33792043    -11.71328550
  O     17.90950234      5.59319208    -15.73851742
  H     12.99964777      3.78374959    -13.86765164
  H     11.65751634      6.83699380    -12.05822249
  O     15.67882970      8.13435638     -8.80966681
  H     13.38907952      3.55662236    -12.39887857
  H     12.50299967      3.63806603     -9.92975725
  O     18.50807307      8.20272047    -14.76795904
  H     14.76946425     10.53425434    -10.55656334
  H     13.35931534      4.81722608    -10.44790310
  O     15.94620912      4.82296526    -14.01468758
  H     13.69155315     11.00806813     -9.55186122
  H     18.84505489     12.75637277    -12.74214318
  O     19.28116179      9.26053476    -12.23406573
  H     15.26855068      6.01403358    -10.83623343
  H     17.98772434     11.83756571    -13.64484386
  O     17.10816578     11.63280597    -15.11267179
  H     14.81705973      6.74617260     -9.56617597
  H     19.03241627      7.71813636     -9.50675754
  O     16.18709545      8.50623554    -13.21880503
  H     14.89369221     11.39439745    -13.24085182
  H     18.64668200      8.40391476    -10.83292154
  O     11.24894729      6.00275676    -12.32008773
  H     14.06514889     10.62268303    -14.27665827
  H     13.19113206      5.87123336    -15.35006895
  O     12.70176784      4.14925239    -10.70977052
  H     18.45034353      4.86078377    -16.02247627
  H     14.68058906      5.88088456    -14.92957207
  O     18.39290692     11.91777573    -12.76090454
  H     17.23160434      5.22574453    -15.14542401
  H     13.17977081      8.90040986    -10.99168958
  O     18.29696832      7.87589440    -10.09375602
  H     16.55104507      8.18528481     -9.22000084
  H     13.50057248      7.40597012    -11.14415033
  O     14.01749970      6.36237552    -15.44270553
  H     15.18791263      8.91382049     -9.09708969
  H     13.63763268      7.97616015    -14.68763346
  O     12.97115126      8.12164446    -11.52167639
  H     18.42043629      7.28238279    -15.04713033
  H     13.29330724      8.56184055    -13.28505767
  O     13.60478756      8.79302768    -14.17199363
  H     18.34398186      8.74404691    -15.55126114
  H     15.24838963      7.05488241    -16.70428396
  O     16.07812080      7.30237029    -17.13087421
  H     15.23302175      4.21681061    -13.76567368
  H     16.72732318      6.66227636    -16.81275552
          69
 Energy    -248.33263317355861     
  O     16.85459813      8.19784030     -9.87623391
  H     17.36303912      8.43644966     -9.10412786
  H     12.02883081      7.87821430    -15.45443438
  O     11.03224705      9.23801904    -12.51540778
  H     16.35630194      7.39893257     -9.63961309
  H     14.33983440      5.65252928    -13.45614801
  O     12.12653733      3.71764768    -12.42322799
  H     11.41887518      9.08707125    -13.38955614
  H     15.18018871      4.46095279    -12.94352086
  O     14.26136434      5.47846668    -16.24991991
  H     10.49470065      8.46285186    -12.31729776
  H     13.60290434      7.82693194    -13.84124347
  O      9.59216817      6.82466404    -11.87812412
  H     11.91781327      4.35641038    -11.72648579
  H     15.13920380      7.69798969    -13.56528444
  O     12.75762908     10.17059543    -10.66798051
  H     12.94323552      4.01637925    -12.85192554
  H     15.92319380      9.55558098    -10.91043225
  O     16.50940749      4.39165110    -11.65352577
  H     14.37381169      5.04119293    -15.39628145
  H     14.57546332     10.26876329    -11.18652386
  O     15.95138185      7.50049693    -16.83951630
  H     13.32379518      5.69788914    -16.32119590
  H     12.90343807      1.09777077    -10.56601869
  O     13.12320689      4.11263142     -8.72423732
  H     10.19015252      6.35401765    -11.27222385
  H     12.85131760      2.45924986    -11.27059395
  O     11.53940223      6.29446928    -16.30098380
  H      8.72258899      6.78657334    -11.48694403
  H     13.76520814      7.46776580    -11.59806934
  O     14.44855139      9.83945117    -16.08953929
  H     12.11679498      9.90446276    -11.35341889
  H     13.20226607      8.38500539    -10.48498031
  O     12.33596535      8.59694895    -14.88870277
  H     12.31245830     10.79601023    -10.10329435
  H     10.93762651      4.56335513    -13.61773819
  O     14.45632007      4.69325205    -13.53851450
  H     17.07417342      5.15993911    -11.85540058
  H     10.04773497      5.80585509    -13.42962000
  O     14.26537185      7.41564620    -13.27012344
  H     17.08601155      3.64926336    -11.49277973
  H     11.89905818      5.02804548     -9.69151741
  O     15.50279433     10.23379801    -11.45169534
  H     15.35001877      6.75544336    -16.65903616
  H     12.14272623      6.30606987    -10.51544336
  O     13.27854145      1.97534922    -10.54708067
  H     16.39403267      7.30276451    -17.66020979
  H     16.68164370     11.60986244    -14.01310341
  O     13.45986627      7.47664458    -10.67751645
  H     13.25064554      3.30631287     -9.24476844
  H     15.92640677     10.63682517    -13.07831735
  O     10.42331841      5.22341376    -14.10025123
  H     13.94525810      4.61052826     -8.79238015
  H     15.68459326      5.29360426    -10.20876992
  O     11.51229489      5.58169139    -10.38510468
  H     11.10958216      5.87719061    -15.53213930
  H     14.63339582      6.40083815     -9.88938142
  O     16.20187246     10.78608104    -14.00109528
  H     10.94087153      6.19754609    -17.03675640
  H     17.60809319      7.15277642    -12.90383081
  O     15.35286546      5.87154732     -9.50854937
  H     14.96550188      9.10685973    -16.44818876
  H     17.65411691      7.27599295    -11.36631671
  O     17.86500469      6.68361215    -12.09761917
  H     15.00188902     10.25792716    -15.41846675
  H     16.75812073      9.04655002    -14.20289530
  O     16.83094194      8.08430276    -14.25908931
  H     12.98403965      9.11931784    -15.38537627
  H     16.65003735      7.83705719    -15.17557388
          69
 Energy    -248.33262461104894     
  O     13.39660115      9.65019606    -14.77803908
  H     13.87430491      9.18612566    -15.47747271
  H     16.88409723      5.36027950    -14.82340678
  O     17.10380477      6.45836105    -13.31182005
  H     13.65986675     10.57397835    -14.87658591
  H     20.82062903      8.98367543    -14.10975105
  O     18.58649269     10.36603739    -11.77865332
  H     17.88203804      6.62830785    -12.76741680
  H     20.61702432      7.85153668    -15.12610372
  O     18.80486317     10.24606255    -16.14028658
  H     17.01812594      7.25430427    -13.85942120
  H     17.14676831     10.83555780    -16.86831750
  O     14.01263465      5.80442385    -16.33516636
  H     18.42078616     10.36813048    -10.82760191
  H     15.81318825     10.12468864    -17.19502354
  O     15.18008265      9.43812069     -9.41546279
  H     17.76035029     10.64536667    -12.20090723
  H     16.59453720      9.52373589    -14.07130614
  O     14.71588558      6.69750413    -11.96836429
  H     19.33488584     10.58999944    -15.40966347
  H     17.63252905      9.21067420    -15.16990810
  O     16.19962344     10.97148553    -12.99401730
  H     19.31637480      9.53008417    -16.54264872
  H     18.14068803      8.22621367     -9.20109096
  O     17.66209510      6.90334202    -17.48706486
  H     13.40148976      5.26759990    -16.83273531
  H     18.62766334      7.22095008    -10.25832282
  O     15.50941646      6.59746676     -9.27676941
  H     13.55275706      6.07643932    -15.52127375
  H     12.79594540      7.76962788    -14.22125663
  O     20.09900350      7.92971743    -16.99440191
  H     15.17056864      8.48359288     -9.26633771
  H     13.41991381      6.68727100    -13.30785092
  O     16.70994807      5.03422380    -15.71636524
  H     14.69669673      9.57935269    -10.23837689
  H     19.76731688     10.73384518    -13.06219094
  O     20.83366295      8.02336824    -14.20233647
  H     14.89046138      6.54343726    -11.03213738
  H     20.97488644     11.52566567    -13.61096497
  O     16.21915247     10.99426675    -17.09008039
  H     15.54906288      6.53610283    -12.43607604
  H     18.97655578      8.49703835    -11.91378826
  O     16.90772991      8.82635780    -14.65991732
  H     15.49872037     10.48073855    -12.53871041
  H     19.90013406      7.55820587    -12.70849783
  O     18.12801848      7.28994209     -9.43366966
  H     15.77084374     11.52081230    -13.66172124
  H     16.83406960      9.96420756     -9.20158727
  O     12.88226469      6.81825726    -14.10169190
  H     17.42392160      6.16275326    -16.90670385
  H     17.89746228     10.65318551     -8.31364211
  O     20.33263024     10.85938185    -13.84272373
  H     16.86579516      7.43289663    -17.56217911
  H     14.37489429      8.46845951    -12.00566628
  O     19.27296432      7.57900807    -11.97129071
  H     15.37245041      5.96827040     -8.57377599
  H     13.76412358      9.53494022    -12.94076694
  O     17.78866327     10.13457981     -9.10628852
  H     16.46949239      6.75498639     -9.33121725
  H     15.29326447     11.81460709    -15.85982159
  O     14.15643403      9.41067635    -12.06696798
  H     19.24743941      7.50224557    -17.19872187
  H     14.47084239     13.02253920    -15.34793815
  O     14.76540373     12.14727956    -15.11150590
  H     20.70633181      7.67140045    -17.68234242
  H     15.75492426      8.41529489    -15.96066540
  O     15.13638659      8.35205752    -16.70776516
  H     15.76397253      5.15094742    -15.86735162
  H     14.74656575      7.46781469    -16.68696194
          69
 Energy    -248.33256351358159     
  O     11.19151903     10.29299565    -14.91070927
  H     11.35201175     11.07171531    -14.36093647
  H     16.32292054      6.93178623    -14.59490871
  O     15.30924265      7.85020110    -11.24637066
  H     11.88329359      9.65345719    -14.70100881
  H     18.55600927      8.85399079    -15.49802667
  O     16.41861673     11.74482984    -15.26070490
  H     15.57596186      7.62651960    -12.15219535
  H     18.25914800      7.52627790    -16.21997224
  O     11.43187407     10.73818464    -17.57286906
  H     14.68658965      7.17681847    -10.98318899
  H     16.37399604     10.60778551    -18.19011821
  O     14.34771710     11.19073094    -13.53619795
  H     15.63255524     11.62680303    -14.70478033
  H     14.94262623     10.33511462    -17.67601184
  O     14.77539476     14.68973173    -12.93272342
  H     16.15940676     11.56694697    -16.17219314
  H     12.02999721     13.07389544    -12.64954539
  O     15.47538790     10.58665840    -11.04680813
  H     10.58850381     10.69494900    -18.01472412
  H     12.24743270     13.30820706    -14.16577399
  O     13.11348626     14.47212438    -15.29398378
  H     11.26172152     10.59483530    -16.62410597
  H     17.82725262     12.13435583    -12.17816703
  O     15.77755687      7.36545960    -18.21408574
  H     13.55872924     11.74098320    -13.46478180
  H     18.86641665     11.55155734    -11.18716385
  O     13.83320283     12.14844718     -9.50398543
  H     14.70336575     11.04159623    -12.65070775
  H     14.22928679     12.32731083    -17.63098657
  O     16.94700919      6.10149354    -16.12466637
  H     14.10604839     14.50378057    -12.26540798
  H     12.70209888     12.14914921    -17.50453443
  O     16.04191986      7.53190666    -13.89366895
  H     14.31345132     14.65146551    -13.77912189
  H     17.33393171     10.40115977    -14.53579063
  O     18.71491824      8.37094634    -16.31961437
  H     15.41228505      9.62015327    -11.04936648
  H     18.03154136     10.12168306    -13.19030223
  O     15.59474942     11.03731238    -17.81693030
  H     16.40152195     10.82623882    -11.18137007
  H     16.43342732     13.91659200    -12.99317575
  O     11.96373318     12.64989966    -13.51500019
  H     13.28056702     13.88284515    -16.05083248
  H     17.09143232     12.97305020    -14.01427396
  O     18.09061396     11.32865598    -11.69337393
  H     12.82753679     15.30462488    -15.66143849
  H     12.87543439      9.52002611    -17.62509515
  O     13.41809968     12.78335144    -17.37520529
  H     16.41614322      8.02247615    -18.51693368
  H     13.67372599      8.90800671    -16.44765249
  O     17.77875030      9.70853359    -14.02273322
  H     14.96456759      7.85274555    -18.02265621
  H     13.02596964     13.32704628    -10.50670664
  O     17.23623832     13.40307378    -13.16076969
  H     14.43571746     11.58252129    -10.01373251
  H     12.18537202     14.62157177    -10.58495579
  O     13.68383280      9.04157642    -17.40753088
  H     13.86216603     11.82410995     -8.60783908
  H     18.44813665      9.51027752    -19.27642688
  O     12.61097198     13.95712739    -11.12062336
  H     17.11069680      5.18773761    -16.34099525
  H     18.15982035      9.10434847    -17.81237559
  O     17.74836886      9.42560715    -18.63456357
  H     16.47891045      6.49090618    -16.88547639
  H     13.88497615      9.66359925    -14.28077022
  O     13.65037410      8.80121423    -14.65760378
  H     16.64349223      8.29141364    -13.92060270
  H     14.37688809      8.21713399    -14.40999524
          69
 Energy    -248.33251219487943     
  O     12.18298684     11.60098520    -15.06901186
  H     11.44591394     12.17801569    -15.25029608
  H     15.81783015     11.64877438    -16.96583782
  O     16.01730400      7.01528760    -12.98288663
  H     12.09723696     11.31915291    -14.14038609
  H     15.54665658      9.97896850    -14.05039443
  O     17.84649200      9.61653464    -15.93496134
  H     15.80660289      7.76754241    -13.56232505
  H     14.67781461      9.17305030    -15.07379088
  O     11.96181617      6.83857746    -14.72845482
  H     16.97809243      6.94443901    -12.99632682
  H     12.69273361     10.89344373    -11.91023991
  O     16.41174255     11.24303070     -9.14225569
  H     17.54210903     10.21130311    -16.62855666
  H     11.82165249      9.73238448    -12.41537179
  O     14.38516122      8.05599114    -11.02910590
  H     17.04274254      9.36108296    -15.45754642
  H     18.78208366      7.63296229    -11.51811655
  O     15.86869797     11.47291905    -13.09032072
  H     12.83209216      6.39866370    -14.77983554
  H     19.61549665      7.95672306    -10.26553077
  O     18.28232060      6.80577872    -15.89932115
  H     11.34846382      6.29374791    -15.21441124
  H     11.04232648      7.39984344    -11.70810486
  O     16.40428924      8.53302988     -9.11329582
  H     16.41603239     10.27511610     -9.02183182
  H     11.81667509      7.45713248    -13.04396806
  O     15.82825585      6.21144872    -17.26769310
  H     16.54446041     11.63079240     -8.28183843
  H     19.02667191      9.88854978    -14.52328813
  O     14.38863080      5.74640239    -14.88458277
  H     14.97901288      7.63659724    -11.67032636
  H     19.14257971     10.37302554    -13.05343851
  O     16.32169258     11.22739235    -17.68450785
  H     13.48605566      7.88704801    -11.33162428
  H     19.16620623      8.08567971    -13.36804843
  O     15.47980358      9.14768159    -14.53971134
  H     16.71349062     11.28066073    -12.66303743
  H     18.70002893      6.83720441    -14.12966846
  O     11.99532017     10.67216556    -12.54220281
  H     15.20498163     11.36956564    -12.39494587
  H     17.58163066     11.10533522    -10.67147325
  O     18.75056534      8.07376759    -10.65318720
  H     18.29098713      7.76092831    -16.04959958
  H     18.27816140      9.85656312    -11.22381244
  O     11.76915098      7.83286167    -12.15067635
  H     17.48895827      6.49186701    -16.34702066
  H     15.48001650      9.52551988    -17.99406570
  O     19.54963280      9.80133124    -13.71291412
  H     15.65243208      8.24693722     -9.64897350
  H     14.21961331      8.85386563    -17.42346242
  O     18.82292083      7.18690519    -13.23529228
  H     17.19520551      8.24096049     -9.58488213
  H     14.87108917     11.14156925    -10.23973346
  O     18.03740422     10.76433420    -11.45107586
  H     15.56902132      7.10317177    -17.55939210
  H     14.32544610      9.88598489    -10.95947693
  O     14.98654227      8.69720458    -17.99187481
  H     15.87381681      5.67188341    -18.05309208
  H     13.98302559     12.17326837    -15.47155560
  O     14.24828305     10.85159647    -10.91661162
  H     14.98852841      6.01238474    -14.17553416
  H     15.33501097     12.20379401    -14.73972934
  O     14.92493877     12.32822707    -15.60617552
  H     14.88086239      5.84573379    -15.70984181
  H     12.66359119      9.96410592    -15.75010733
  O     13.06950921      9.12800817    -16.01345851
  H     16.51242987     11.91170795    -18.32035660
  H     12.58653513      8.40822763    -15.59143735
          69
 Energy    -248.33247986095515     
  O     -4.12699435     -0.35980716      3.32767791
  H     -4.22004036      0.54877230      3.64112394
  H     -5.73892369     -4.11158156      1.15399130
  O     -1.55946137      4.13269958      3.50115245
  H     -3.18926124     -0.59046972      3.33034428
  H     -2.50849646      2.15006411     -1.02268789
  O     -1.48486968     -1.02350257      3.10712034
  H     -2.26847570      4.14736880      2.84435718
  H     -3.24785730      1.44645423      0.15044573
  O     -2.81038976     -0.68474436     -2.52185535
  H     -0.85439106      3.58049788      3.14095703
  H     -5.70955142      3.84917716     -0.74209070
  O     -0.87938778     -1.82534546     -0.74344029
  H     -1.14404375     -0.55268767      2.33463582
  H     -6.41123392      5.08725270     -0.13302631
  O     -4.57433065      0.46940308      0.70131667
  H     -1.18037007     -0.52027790      3.87694500
  H      0.21600403      1.61293251      2.04264588
  O     -7.04181161      1.76373821      0.79170456
  H     -2.11730472     -1.07584642     -1.97730528
  H      1.39481655      2.44854826      2.58298807
  O     -6.96395813      0.65977406     -1.84989160
  H     -3.64438954     -1.04994061     -2.19620088
  H     -7.87836000      1.59616238      4.24787177
  O     -4.69558435      2.29603876      3.95241139
  H     -1.49307101     -2.24313795     -0.11148871
  H     -6.41730154      1.70036995      3.76754561
  O     -2.76723885      1.99068018     -2.84221373
  H     -0.27920878     -2.50799084     -1.03226834
  H     -4.48998017      4.06479119      1.24014362
  O     -5.14433677     -1.45386588     -1.18361235
  H     -4.42100292      0.09981178      1.57965298
  H     -3.22412091      3.19559782      1.11382570
  O     -5.39167476     -3.23100531      1.03371734
  H     -5.43070458      0.91839629      0.71584342
  H     -7.09194181     -0.77103739      2.99347454
  O     -2.50663769      2.03782728     -0.06441259
  H     -7.26723345      1.66863165      1.72570034
  H     -5.66167850     -1.24880807      3.16882222
  O     -5.95244044      4.28422523      0.09780251
  H     -6.78735023      2.68357463      0.64026729
  H     -2.19349142      3.44535720      4.96420777
  O      0.46985998      2.25850377      2.72197223
  H     -7.21112056      0.92433321     -0.95421593
  H     -2.49167494      3.45348223      6.48456119
  O     -7.29280656      1.34971789      3.53582285
  H     -6.46885164     -0.16362650     -1.75652012
  H     -1.36460530      1.46052930      5.31816698
  O     -3.73230251      3.73435735      1.73814574
  H     -4.40143449      2.78620674      3.17106340
  H     -0.21501890      1.37046691      4.30192420
  O     -6.53768131     -1.54454143      2.87219262
  H     -4.08105732      2.51216755      4.66562199
  H     -2.25097619     -2.40584430      1.96743653
  O     -2.59995757      2.93674433      5.69060297
  H     -2.29846122      2.21914523     -3.63975591
  H     -3.47340331     -2.96063936      1.17564464
  O     -0.70849478      0.85591762      4.95358312
  H     -2.79155094      1.01685815     -2.79832889
  H     -1.18219228      1.03948039      0.54180824
  O     -2.51763648     -2.84062267      1.14787990
  H     -4.88411898     -0.75367766     -0.56328344
  H     -0.47471536     -0.31208284      0.28069792
  O     -0.50108393      0.44013900      0.88454936
  H     -5.31456769     -2.21626126     -0.62050930
  H     -5.94244102      2.13921692     -2.17392552
  O     -5.37519420      2.92411543     -2.14140097
  H     -5.87967253     -2.65853774      1.64981172
  H     -4.50988305      2.64997972     -2.46268283
          69
 Energy    -248.33244002121211     
  O     12.54854621      9.72960062    -11.39866231
  H     12.11376308     10.51612567    -11.75883789
  H     14.90541908      7.03202441    -12.63770407
  O     13.37302016      6.40109107    -13.20350023
  H     11.89018574      9.23846314    -10.88956228
  H     13.80948322     14.66702149     -8.79080902
  O     11.36376275     11.99994666    -12.53687914
  H     12.98176900      7.15779739    -13.66338781
  H     13.35961074     15.23302613     -7.42245461
  O     14.25197143     10.67190520     -9.47203473
  H     12.79191442      6.20872924    -12.45760672
  H      9.52804285     11.72437229    -10.31060376
  O     14.39082236      6.93113733     -9.73511530
  H     10.97367814     12.36055622    -11.72970581
  H     10.72677722     12.26545430     -9.47021323
  O     13.12419422     15.63860379    -12.20613643
  H     12.16916654     12.48688636    -12.74637347
  H     11.66360557     10.30950284     -7.66173891
  O      8.70564275     10.07575770    -10.98078020
  H     13.74493747     10.25491280    -10.18708828
  H     12.50248021      9.03379765     -7.45993772
  O     13.80692834     13.12830305    -13.20379887
  H     14.41931204      9.99482994     -8.80601461
  H     14.96082715      8.27397562     -6.94554852
  O     14.92114460     14.71630195    -10.13826039
  H     13.56124853      6.55551618    -10.05258478
  H     14.38779618      7.92098314     -8.34091084
  O     10.62915380      8.33072750     -9.91088404
  H     14.90394080      7.15374775    -10.52154880
  H     15.19132410     11.74397872    -10.55171367
  O     11.26372312     15.07353595    -10.30448284
  H     12.98569357     16.51829007    -12.54642528
  H     15.93495070     11.54963651    -11.88507185
  O     15.69735883      7.42043247    -12.22542071
  H     12.39685626     15.46097159    -11.58297765
  H     12.54149857      9.06403252    -13.10015793
  O     13.08635100     14.66522531     -8.13774785
  H      7.75507754     10.00224513    -11.01302767
  H     12.92343779      9.53725849    -14.51079007
  O     10.07268463     12.50224719    -10.14568817
  H      9.02467151      9.97633298    -11.89613102
  H     10.25762878     10.78367275    -13.31045445
  O     11.59728785      9.34933835     -7.57816138
  H     14.43078661     12.82588685    -12.52632592
  H     10.49489644      9.36762382    -13.81304388
  O     14.34879253      8.56939968     -7.61347896
  H     13.60461383     14.05189594    -13.00807783
  H     14.32763352     11.29008025    -15.84676874
  O     15.60002494     12.23053039    -11.28244870
  H     14.44999419     15.13227511    -10.87003818
  H     13.95109547     11.79458036    -14.43948792
  O     12.41828483      8.86317782    -14.04113931
  H     15.31516642     13.91014614    -10.49746428
  H     15.92292660      9.24809894    -12.72413019
  O      9.80190531      9.94218346    -13.46944826
  H     10.89876448      8.64505297     -9.03302359
  H     15.45340076     10.29822784    -13.75377797
  O     14.07449755     10.99428024    -14.97516753
  H      9.87608654      8.85852266    -10.20193687
  H     11.38471485      5.27086646    -10.51092615
  O     16.06294334     10.15567349    -13.02118964
  H     11.79147501     15.03119596     -9.49643425
  H     11.35719906      6.81417049    -10.47485645
  O     11.87265266      6.04713354    -10.77523679
  H     10.67611722     14.30882099    -10.27141585
  H     12.87814255     11.59727654     -8.74600107
  O     12.11928115     12.03375516     -8.33115716
  H     16.43108670      6.85923257    -12.46650647
  H     12.41246357     12.92745827     -8.11581204
          69
 Energy    -248.33229845473670     
  O     -3.86066322      0.84244481      0.99528731
  H     -4.01071155     -0.04298442      0.61638335
  H      0.68832524     -5.60466202      0.87319223
  O      0.11509734      1.16519785      3.36467767
  H     -4.48015542      1.42799981      0.56701708
  H      1.50121847     -0.16580001      3.64283060
  O     -4.27995063     -0.20668586      3.63012099
  H     -0.53276250      0.49278674      3.64194277
  H      2.06111711     -1.46236359      3.01156425
  O      1.65175672     -2.64211605      5.89271943
  H      0.00140292      1.91251161      3.94716712
  H      0.05048752     -2.37528765      1.64896800
  O     -3.67691853     -3.81195100      6.20753553
  H     -4.26735596      0.23099977      2.77140575
  H     -1.18856263     -2.09050214      0.74875091
  O     -1.12170560     -2.76427293      5.87989440
  H     -3.34886272     -0.38913968      3.82048798
  H     -1.71389285     -3.85385615      1.89248566
  O      1.17871732     -5.13455807      4.52428127
  H      2.35309365     -2.51502704      6.52547239
  H     -3.08129696     -4.56899727      1.73875945
  O     -5.06545393     -2.84544275      3.86495886
  H      1.81085635     -2.01213806      5.16598635
  H      1.97024950     -2.32674242      0.64078279
  O     -1.04491479      1.23637221      0.74214447
  H     -4.02670810     -3.88729848      7.09249163
  H      2.04558364     -3.48824527      1.68644520
  O      2.15461024     -5.31600985      2.01784823
  H     -2.86254977     -3.28905133      6.27894747
  H     -4.93732485     -3.58228632      2.33655466
  O      0.04697633     -4.08392752     -1.91125180
  H     -0.17774131     -2.64700751      6.04682021
  H     -5.59356439     -4.47409507      1.25333364
  O     -0.08313193     -5.62924185      0.29377648
  H     -1.19887681     -3.58105667      5.36323245
  H      1.32192925     -2.71853286     -1.46125007
  O      2.02772225     -0.94962683      3.83239603
  H      0.23403643     -5.30624262      4.62877777
  H      1.33080996     -1.18923782     -1.25509934
  O     -0.91223241     -2.28197806      1.65343933
  H      1.37734653     -4.33200335      5.02137759
  H     -1.43981792     -1.47299659      4.64295803
  O     -2.15515101     -4.71385478      1.96996473
  H     -4.66764573     -3.16069976      4.68242888
  H     -1.41440334     -1.35476991      3.08963507
  O      1.85498622     -2.54893908      1.57698821
  H     -4.88411433     -1.89458767      3.81068200
  H     -0.30198215      0.62081529     -0.67444271
  O     -4.80082217     -3.98619316      1.45866422
  H     -1.99326947      1.13439232      0.89309533
  H      0.11612170      0.89400694     -2.13826871
  O      1.84244050     -1.99231089     -1.09480375
  H     -0.61689870      1.25784635      1.60535998
  H     -1.12575424     -1.21732877     -1.32097778
  O     -1.59120226     -0.86616472      3.90838941
  H      2.94099170     -5.85517232      2.01834090
  H     -1.14255780     -2.76503105     -1.42201232
  O      0.03965942      0.20290159     -1.48634442
  H      1.82332450     -5.29987509      2.93374466
  H     -1.86181719     -5.10188836      3.68518789
  O     -1.62589513     -2.00580100     -1.07156858
  H      0.05818718     -4.64157033     -2.68411791
  H     -2.47447008     -5.09534458      5.11184051
  O     -1.65007747     -5.20067170      4.62657263
  H      0.01047349     -4.67632025     -1.13860637
  H     -4.41247240     -2.42647202      0.43580841
  O     -4.17353856     -1.62836694     -0.04857303
  H     -0.85123607     -5.45831147      0.85431162
  H     -3.34674761     -1.82225947     -0.51244993
          69
 Energy    -248.33205104592261     
  O     -5.76724763      1.18190069      0.28263175
  H     -5.77395831      1.37948483      1.22968914
  H     -2.56744360      0.02926153      2.92204941
  O     -5.46882530      0.47691710     -4.05905571
  H     -5.30780044      1.91527125     -0.15128405
  H      0.34545899      2.44065968      2.62382658
  O     -5.36665075      1.73331716      2.94603999
  H     -5.06468803     -0.38702431     -4.20607756
  H      0.51032820      3.31713422      3.88548096
  O     -0.07931304     -1.40704384      1.76931513
  H     -6.08916712      0.35301895     -3.32960074
  H     -0.75657833      4.45837348      1.96020666
  O     -1.59302173     -0.82537319     -0.53019485
  H     -5.57809209      1.30434633      3.77202333
  H     -0.63995445      4.69352906      0.44604183
  O     -3.96171493     -1.96826781     -4.09476385
  H     -4.40793132      1.88220421      2.96264333
  H     -4.13743576      4.01500695     -0.45041941
  O     -4.13752295     -1.13368219      0.46354381
  H      0.29904980     -2.21372935      2.10810141
  H     -3.41971751      2.64767017     -0.51303635
  O     -1.98990395     -0.29228198     -3.17200653
  H     -0.93441791     -1.28428070      2.22125006
  H      1.40056964      1.33213037     -1.91244521
  O     -3.43824185      2.14581552     -3.29974115
  H     -2.48725016     -0.98984821     -0.18992935
  H      2.79601847      1.64369898     -1.32953064
  O      1.06255187      1.19508736      1.61437381
  H     -0.97062372     -1.11868355      0.14473715
  H      0.68897771      3.07023896     -1.01617190
  O      0.45784842      1.10819831     -3.37367669
  H     -3.66493923     -2.54314514     -4.79540510
  H     -0.42559385      3.70224356     -1.89669406
  O     -2.53605388     -0.92818818      2.79264376
  H     -3.19116787     -1.44450283     -3.81740151
  H     -6.07602312     -1.69326828     -1.72240417
  O     -0.09628770      3.10659405      3.18072001
  H     -4.65021546     -0.31554062      0.45048957
  H     -4.90666816     -2.35376586     -2.47280058
  O     -1.06511763      5.02864405      1.24717342
  H     -4.54404738     -1.71489396     -0.19631352
  H     -2.44101291      1.90012499      1.81949666
  O     -4.19078833      3.13417328     -0.84687202
  H     -2.47782306      0.54325590     -3.15843623
  H     -1.82735665      2.34185337      3.14919724
  O      1.86852050      1.61625657     -1.10733895
  H     -1.81547905     -0.54354028     -2.25175137
  H     -1.75076482      0.95890411     -0.16833258
  O     -0.08826497      3.64259926     -0.99351620
  H     -4.17977394      1.65221225     -3.67966990
  H     -1.28092996      2.45125931     -0.22654314
  O     -5.38996621     -2.36818409     -1.63773429
  H     -3.76458258      2.55836682     -2.48702744
  H     -2.76338520      5.36476399      0.79303893
  O     -2.59545234      1.89471533      2.77644944
  H      1.36632185      1.28867956      0.70409876
  H     -4.07519887      6.12526994      1.04515430
  O     -1.98283859      1.86224821      0.07730750
  H      0.72898600      0.29307902      1.69818131
  H     -6.69521835      0.39225081     -1.00907248
  O     -3.67433257      5.47631378      0.47324239
  H     -0.27062751      0.47507869     -3.39713615
  H     -8.04246257      0.02287972     -1.66727152
  O     -7.09787677     -0.06694696     -1.76542713
  H      0.05697089      1.95423045     -3.60954250
  H     -1.95038213      3.05624543     -3.58976303
  O     -1.08675760      3.50044468     -3.64398104
  H     -3.19096000     -1.12307490      2.10882331
  H     -1.17580879      4.19052361     -4.29636618
          69
 Energy    -248.33190765557555     
  O      9.99386421     13.10648907    -12.04420684
  H      9.15773645     13.55745073    -12.14282395
  H     12.61835533     12.86455597    -14.03340435
  O     13.80043313      8.72700949    -17.70043571
  H     10.27097471     12.84412925    -12.93602268
  H     16.65596903     10.50173112    -12.01776116
  O     11.34541476      9.00663794    -11.79377304
  H     14.25291318      8.31304937    -18.43008681
  H     15.17943912     10.30389512    -11.58649624
  O     14.18776638      8.92541467    -14.89932059
  H     14.00974250      9.67843319    -17.74017723
  H     14.61518925      7.99809979    -13.29911515
  O     12.91189979     11.60795214     -9.23579338
  H     10.85882489      9.57502180    -11.17835242
  H     15.44163503      8.37133554    -12.05252013
  O     14.23447988     11.40544729    -17.54698775
  H     11.81623755      8.33691553    -11.28483255
  H     13.36215818     14.79607087    -11.40535935
  O     11.52128353      9.60018199    -14.41843848
  H     14.11365689      8.67161681    -15.82773591
  H     13.97724203     16.05277274    -12.07021421
  O     13.58024288      9.08828375     -8.35842726
  H     14.67560152      9.76159989    -14.88328607
  H     13.72377885      7.34113967    -11.15600499
  O     13.49448376     10.88790186    -11.81855024
  H     13.07572639     10.77569735     -8.76801337
  H     12.92666327      6.29613056    -10.33580179
  O     16.43298508     13.64411917    -11.52612414
  H     13.12639902     11.42600342    -10.16625621
  H     17.15170146     12.50904928    -12.60342405
  O     10.25527294     10.92820371    -10.18495995
  H     14.73727190     11.51556659    -16.72771261
  H     18.44519654     11.90351126    -13.20080658
  O     13.53256306     12.91823625    -13.72803272
  H     13.39247786     11.85751340    -17.42298899
  H     11.10557599     11.33926068    -14.43079390
  O     16.08709992      9.99978329    -11.42118800
  H     12.45022142      9.37527890    -14.57006482
  H     11.01806058     12.47504814    -15.47051607
  O     14.84862676      7.69701721    -12.41210004
  H     11.29814977      9.26869301    -13.53739616
  H     16.00430343     11.19885782     -9.90264459
  O     14.00899430     15.10011829    -12.06764553
  H     14.44477941      8.88000926     -8.00849253
  H     14.90328273     11.95485047     -9.13842653
  O     13.06695188      7.23320893    -10.44360143
  H     13.40713756      8.42733882     -9.04419373
  H     14.77624397     12.01480531    -14.58718062
  O     17.50154654     11.77932097    -13.14822564
  H     12.78209941     10.25620368    -11.97445931
  H     16.23725460     11.52053732    -14.48104867
  O     10.95389236     12.29343734    -14.52431436
  H     13.46315305     11.58031248    -12.49000701
  H     11.05175155     12.69389406    -18.05553342
  O     15.83854026     11.98454787     -9.36394913
  H     16.25783099     13.17832916    -10.69498706
  H     11.27157886     11.34407900    -17.33193423
  O     15.42955539     11.42960392    -15.00033828
  H     15.66756985     14.20323651    -11.69305405
  H     12.39402106     13.33475015     -9.83693173
  O     11.45188034     12.30099245    -17.28394125
  H     11.03057903     11.19509517     -9.67665186
  H     11.39079632     13.78356803    -10.92766018
  O     12.15195577     14.07344697    -10.40951155
  H     10.06922163     11.65844382    -10.78823607
  H     11.93755377      9.16665742    -17.47542024
  O     11.12174729      9.60049674    -17.19570907
  H     13.66246659     13.74470433    -13.24610578
  H     11.07845037      9.47420540    -16.23741603
          69
 Energy    -248.33166069302644     
  O     18.94233541      9.44275725    -10.55005180
  H     19.32218367      9.86444481     -9.76985777
  H     18.22802403      4.38784796    -11.46492484
  O     12.69377813      7.24193379    -10.51989496
  H     18.01406221      9.26031960    -10.33177676
  H     14.41411266      6.65497043    -10.92607156
  O     13.04708472      9.57219561    -11.77759969
  H     12.77642914      8.10800463    -10.96230297
  H     15.55501865      6.74353805    -11.99999705
  O     18.26049839      9.18962345    -13.23103650
  H     11.91598390      6.82174003    -10.87672075
  H     20.76453207      6.05791982    -11.57793813
  O     19.86333117      6.84415716    -10.30946077
  H     13.64539126     10.23142874    -11.40780587
  H     22.00881486      5.34620237    -12.16183543
  O     19.83617438      7.49492571     -7.55797786
  H     13.34753316      9.44714760    -12.69001141
  H     16.74055180      9.97430082     -7.02628994
  O     17.55857588      5.32404948     -9.92849042
  H     18.59363750      9.34104685    -12.33618298
  H     16.70635549     11.42030534     -7.58947239
  O     14.31935905      9.29957875    -14.22366199
  H     18.85620249      8.55989626    -13.66399084
  H     20.29522621      6.64410293    -13.71048155
  O     15.65255703     12.51010637     -8.60277018
  H     19.59609176      7.76222020    -10.45658837
  H     19.05470174      6.47491269    -14.59442531
  O     16.42457630     11.19933165    -13.61970151
  H     19.05216881      6.32371225    -10.21311566
  H     16.20672466      8.77461159     -9.02248112
  O     15.26226016     11.19404933    -11.01311806
  H     20.04504047      7.20601792     -8.45616162
  H     15.99250508      8.07414997    -10.39010870
  O     18.60967944      4.14142358    -12.31666283
  H     19.84766936      8.45945546     -7.58810944
  H     18.86612576     10.52657980     -7.65917970
  O     15.35690570      6.52068945    -11.07777981
  H     17.49361804      5.44463121     -8.97360904
  H     20.34552610     10.98133227     -7.65789522
  O     21.10019145      5.56618928    -12.34850872
  H     16.74161285      5.67666652    -10.31156087
  H     16.38766844      7.51004788     -7.18503233
  O     17.26531818     10.77823037     -7.12963074
  H     14.93952697     10.03585615    -14.15899477
  H     14.95565195      8.10502547     -7.39183321
  O     19.70929448      7.12386646    -14.30882384
  H     14.86456663      8.50809113    -14.12112891
  H     16.59982882      6.53627183    -14.02217741
  O     16.33416162      8.87561892     -9.97522603
  H     15.48040823     12.14154875     -9.48324907
  H     16.88967353      7.93646020    -13.41505969
  O     19.75470264     10.31889245     -8.00451598
  H     15.02184400     13.21623656     -8.48693904
  H     18.39720168      6.57416544     -7.22103409
  O     15.89252331      8.33059066     -7.29784831
  H     17.12348164     10.52773011    -13.54670848
  H     17.66514061      5.47303377     -6.41623567
  O     16.19104062      7.28597229    -13.57085906
  H     16.77608334     11.89841068    -14.16554749
  H     13.03228426      7.55487995     -8.72776974
  O     17.57387009      6.05543663     -7.16613211
  H     15.63655123     10.37481672    -10.65231526
  H     12.46867010      8.19084041     -7.45088760
  O     13.24118755      7.75387042     -7.80351646
  H     15.64984155     11.31141621    -11.88855995
  H     17.92745773      4.72306483    -13.81429317
  O     17.63032044      5.15252891    -14.63671276
  H     19.51411856      4.48042081    -12.31852726
  H     17.48868046      4.45992375    -15.27588188
          69
 Energy    -248.33165816712983     
  O     17.58708979      9.80159485    -14.97317154
  H     17.64656135     10.58761539    -15.52724625
  H     13.82687388     11.57013113    -12.62635463
  O     14.94847883      9.19133477     -8.99599009
  H     17.31560076     10.08143663    -14.08368322
  H     13.97403127     11.92078698    -10.35466448
  O     17.78174642     12.23601881    -16.29525985
  H     15.15810464     10.13295814     -8.96219744
  H     12.85313414     10.91423143    -10.67571226
  O     12.37013866      9.15016189    -10.19002461
  H     14.03575670      9.13448236     -9.30687719
  H     18.12916044      5.32028382    -13.38561782
  O     15.88448311      7.64274620    -15.09733386
  H     17.67828417     12.59988093    -17.16968514
  H     18.48231816      5.83581764    -11.97808017
  O     19.63748419      8.18490131    -14.22371600
  H     17.11238371     12.66215431    -15.72778269
  H     15.99420124      8.42847251    -10.18879592
  O     21.20197690     10.36391447    -13.56242201
  H     11.55038264      8.82884838     -9.82423996
  H     16.03894882      7.47079548    -11.43578727
  O     19.19666093      7.63345901    -11.42333957
  H     12.56485479      8.59595107    -10.96638966
  H     17.30869401      6.46246190    -15.27374531
  O     12.98126013      7.66333860    -12.37472433
  H     16.49021068      8.39948114    -15.11338596
  H     18.14439189      5.36937251    -15.97026837
  O     16.05382850     13.30128986    -14.52270205
  H     15.00124230      8.03138894    -15.12022104
  H     18.75350207     13.61421103    -13.18219022
  O     13.48231719      9.12374443    -14.80304277
  H     19.37395764      7.33815383    -14.59929011
  H     18.36880538     14.97775970    -12.55860639
  O     14.33088648     11.33727873    -13.42025136
  H     18.95696717      8.81188046    -14.51803772
  H     17.13059131     11.01745628    -11.89739781
  O     13.23688404     11.75571388    -10.95533795
  H     20.76028703      9.53992433    -13.82408095
  H     16.60114025      9.56336654    -11.96607612
  O     17.94475272      5.18682611    -12.44795050
  H     22.14024746     10.20692005    -13.64243750
  H     19.22403498     12.52265957    -15.05890421
  O     16.52615287      8.14503071    -10.94658603
  H     19.31049653      7.84271253    -12.35956197
  H     20.26823319     11.92786955    -14.07683825
  O     18.14369355      5.96998374    -15.22842351
  H     18.27051865      7.81571203    -11.19686582
  H     18.64040888     11.55837948    -10.64434562
  O     18.10365240     14.06300317    -12.61080704
  H     13.05043761      8.14298586    -13.20817414
  H     17.98779678     12.86424282    -11.23135651
  O     16.71371272     10.37444895    -12.48221876
  H     13.71133992      7.03069289    -12.37466337
  H     16.18789544      5.71765269    -12.49302784
  O     19.75245393     12.71834523    -14.27548964
  H     16.58805594     13.60613667    -13.77979382
  H     15.55379264      6.70925801    -13.49369316
  O     17.84868565     12.11937764    -10.63182165
  H     15.36067669     12.73253545    -14.16318957
  H     20.44353751     10.48871776    -11.76860835
  O     15.39891531      6.25571809    -12.65420066
  H     12.78446194      9.35378141    -15.41165058
  H     19.74223551      9.43344842    -10.90921808
  O     19.93551141     10.37816445    -10.95734204
  H     13.74867771      9.94818888    -14.36073581
  H     16.36189877     12.04586516     -9.65549871
  O     15.51303439     11.98989667     -9.18671215
  H     15.16750696     10.97013080    -13.09579170
  H     15.58738436     12.55988669     -8.42483261
          69
 Energy    -248.33165569805766     
  O      5.67219070      5.44542340     -1.21684398
  H      5.81954081      5.54201994     -2.16536588
  H      6.02525141      3.56433507      2.60495290
  O      7.51777758      1.73215477      4.62541387
  H      6.54476084      5.42698746     -0.80028844
  H      4.79512083      2.74102742     -2.94209807
  O      8.20778631      5.13099579     -0.06201481
  H      7.40545404      1.53060260      5.54958378
  H      5.81092034      2.00999365     -3.84401751
  O      4.48808706      2.90641506     -1.07470374
  H      7.89171846      2.63310615      4.57633536
  H     10.85825965      4.64246456      1.91850838
  O      9.31914490      1.93941662     -3.20511686
  H      9.06283060      5.51188284      0.17761006
  H     11.11139813      3.17123375      2.33008894
  O     10.80906191      5.93936158      0.51262010
  H      8.24438670      4.17562581      0.11609560
  H     11.38783274      3.67412577     -1.45410026
  O      7.13539854     -0.89388621      1.11057802
  H      3.93901514      2.89624380     -0.28043676
  H     10.72139647      4.73023386     -2.35343043
  O      4.25053750      5.82347136      1.22765788
  H      4.91010893      3.77705401     -1.09918197
  H      5.83001527      5.61777403      2.11785307
  O      8.50897989      4.18506347      4.25520357
  H      9.96818057      1.77405863     -2.51114273
  H      7.26330350      5.34179082      1.60985361
  O     10.82929967      2.01548320     -0.81714229
  H      9.14370045      2.88976685     -3.17708975
  H      7.62773055      1.94538741     -0.15677203
  O     11.51820473      1.32544511      1.83465078
  H     11.15119196      5.51242334     -0.29324766
  H      8.48104135      2.00802274      1.13731820
  O      5.59855522      2.70404455      2.72029048
  H     11.26534810      6.77122650      0.60589823
  H      6.57772282      0.67566783     -1.80457341
  O      5.22972928      2.77941758     -3.80447019
  H      6.47691689     -1.56662419      1.26406625
  H      5.64560709      1.53197543     -0.89710634
  O     10.74017375      4.00664007      2.63332688
  H      6.78321862     -0.33106084      0.40292387
  H      5.98117458      5.72127664     -4.74743002
  O     11.45137050      4.59797084     -1.73645333
  H      3.77069965      4.99031834      1.30621707
  H      5.90854853      4.36410972     -4.00348487
  O      6.70346520      5.30150458      2.39269191
  H      4.58947769      5.84687739      0.32296822
  H      8.62230019      4.85979603     -1.93628720
  O      8.30751040      2.45733514      0.30077591
  H      7.88857020      4.71673070      3.74101873
  H      8.03668936      4.94846881     -3.35975719
  O      6.35262215      0.87168140     -0.88611529
  H      9.33297938      4.15356950      3.74613148
  H      7.17254664     -0.15484284     -4.16999985
  O      6.29895494      5.25684625     -3.97811271
  H     11.28386772      1.68919512     -0.03254403
  H      7.89520968      1.03879889     -3.49653265
  O      8.82698511      4.69752981     -2.86542899
  H      9.92572366      2.19406426     -0.51528166
  H      4.07429301      2.87086386      1.92949260
  O      7.03614523      0.58619172     -3.58651687
  H     12.13929347      0.80335205      2.33586575
  H      2.52661575      2.79354270      1.93671742
  O      3.27119764      3.08782785      1.42006914
  H     10.62889964      1.02642339      2.09341416
  H      8.47183690      1.01609454      3.25112206
  O      8.91413439      0.72310422      2.44386453
  H      6.12140970      2.24261159      3.38322926
  H      8.34120532      0.06721462      2.01929236
          69
 Energy    -248.33158758324879     
  O     10.79402915      4.19225416    -11.69699824
  H     11.04784038      4.28232949    -10.77068662
  H     16.90164511      5.46353836    -15.02600908
  O     17.02106339      2.82081294    -12.28269000
  H     10.49340527      5.06137950    -11.98434640
  H     14.21762007      4.83490969    -10.88311957
  O     15.88407469      7.60679566    -10.87134326
  H     16.16634109      2.39005815    -12.16768013
  H     14.15413943      5.23104094    -12.39417087
  O     16.37636085     10.69554465    -13.82679580
  H     16.97713928      3.34752825    -13.09042919
  H     11.91456308      3.20951800    -12.71940466
  O     18.45060326      4.26589867    -10.49765150
  H     15.34044095      6.83513646    -11.10100827
  H     13.08792843      3.44261828    -13.70476526
  O     14.24850134      3.44856449     -9.67665322
  H     15.81524955      7.69787091     -9.91428840
  H     15.80959295      7.68045530     -7.31664646
  O     14.48741336      1.57111916    -11.73681821
  H     17.00629449      9.96797480    -13.96694690
  H     15.80450040      6.42289082     -8.22109792
  O     14.44414455      9.13243513    -12.69295077
  H     16.88251797     11.49993187    -13.89670705
  H     13.56573944      7.08889906     -8.41586338
  O     11.70210735      4.39672561     -8.96917060
  H     17.94587893      3.68684478    -11.09758208
  H     12.50944932      7.39182514     -9.50043925
  O     17.97233749      8.49442943    -14.24316351
  H     19.25827345      3.80408345    -10.28784239
  H     17.32197748      6.96017917    -11.72810130
  O     16.42120684      6.95939909    -16.11072402
  H     14.27378648      2.70806239    -10.29655804
  H     18.32269439      5.79359731    -11.60880321
  O     16.96621394      4.88091487    -14.25907506
  H     13.33509151      3.59731642     -9.39930208
  H     15.67925170      4.27645131     -8.88780121
  O     14.17252632      5.57900205    -11.49423249
  H     14.40949190      0.62210093    -11.78086033
  H     17.13983052      4.68187290     -9.18794973
  O     12.60411902      2.75601715    -13.22634467
  H     13.78300162      1.93859332    -12.30199839
  H     12.95922753      6.90324280    -11.39830391
  O     15.42862746      7.31641694     -8.11090262
  H     15.00408341      8.67771572    -12.04647254
  H     12.98408036      8.39261654    -11.81138359
  O     12.64676817      6.92884199     -8.66426362
  H     15.00608497      9.81083926    -13.09404167
  H     14.01927139      5.72836722    -14.46431295
  O     18.01343934      6.48206699    -12.20972996
  H     12.01816170      5.30427843     -8.81152099
  H     15.16424464      4.72452616    -14.21181453
  O     16.39889345      4.85299153     -8.59505039
  H     11.12803400      4.17586060     -8.24026942
  H     10.92285816      7.25058312    -12.09223922
  O     12.43891606      7.72287689    -11.37817368
  H     18.15498795      7.85640233    -13.54257546
  H      9.38752603      7.36730074    -12.25136884
  O     14.20430062      4.83074563    -14.15980194
  H     17.53451227      7.99801735    -14.94542493
  H     10.98517470      6.11343201    -15.58934135
  O     10.14934116      6.87734653    -12.55068848
  H     16.39314595      7.08941365    -17.05523504
  H     10.85585236      6.87410331    -14.26550085
  O     11.30991753      6.87995089    -15.12042843
  H     15.54492134      7.20584600    -15.76882149
  H     14.12323418      8.09615896    -14.18125650
  O     13.98595919      7.51526472    -14.94201094
  H     17.33223518      5.42683555    -13.54699517
  H     13.03253791      7.42734701    -15.08263442
          69
 Energy    -248.33153838194812     
  O     15.30142651      9.99489889     -9.20672500
  H     15.61662027     10.89771608     -9.07548643
  H     10.77904467      8.24746320    -10.01815275
  O     11.29242647     11.58606248    -14.11969628
  H     15.90472853      9.58176924     -9.84199571
  H     15.34309729      5.60558451    -11.15271661
  O      9.55960642      9.66096918    -12.85946653
  H     10.64820075     11.00414116    -13.69789717
  H     14.18585267      6.38889582    -11.80704223
  O     13.30428390     12.40146119    -12.43951667
  H     11.82003035     11.02875670    -14.70362569
  H     11.67740283      6.07942230     -9.97043561
  O     15.37505174     11.08708606    -13.70147319
  H      8.61205680      9.76025810    -12.83594254
  H     11.17659648      6.27132228     -8.52373377
  O     16.19786020     12.66037787     -9.26978614
  H      9.84576994      9.45896661    -11.94942743
  H     13.83345303     13.54485659    -11.18639255
  O     17.04131453      8.72784669    -11.01878066
  H     12.52891374     12.26256468    -13.00121321
  H     13.66001543     14.85820077    -10.40637400
  O     14.04039302      5.35268265    -14.52795567
  H     14.05891129     12.00188936    -12.89633866
  H     13.79021949      9.04520294    -15.66446150
  O     17.24889192     11.54446101    -11.72086548
  H     15.55006030     10.13585492    -13.69592819
  H     13.93531430     10.33480821    -14.83609062
  O     13.47775957      8.01220267    -12.13957139
  H     16.05922452     11.44405208    -13.11493232
  H     16.98160187      5.70954895     -9.14112278
  O     11.23143100      5.30617875    -14.03419770
  H     15.48163058     13.20205138     -9.64453471
  H     15.71443292      6.58800929     -9.28245416
  O     10.52623274      9.08517820    -10.42314680
  H     16.69222404     13.22539017     -8.68177772
  H     12.89310940      4.91898119    -11.37036359
  O     14.61044518      5.51620361    -11.77108687
  H     16.74104018      8.57179132    -11.92590117
  H     11.57642727      4.97443929    -12.16059219
  O     11.59804588      6.72722535     -9.24890152
  H     17.02351035      7.86473994    -10.58677297
  H     14.53054282      6.68532320    -15.51904276
  O     14.18745018     14.06492650    -10.44633867
  H     13.09230679      5.19542056    -14.44500078
  H     15.25835231      7.19594373    -16.78616945
  O     13.28583147      9.77613254    -15.28134719
  H     14.39213887      5.30062989    -13.62897806
  H     12.02738852      8.63370150    -14.55321249
  O     16.48422127      6.23204987     -9.76438460
  H     16.97822461     12.00029796    -10.91547877
  H     10.72149652      8.55952044    -13.69992288
  O     11.93108355      4.92217377    -11.26597343
  H     17.39654258     10.62657771    -11.46131988
  H     14.53648097      8.33430642     -8.63079941
  O     14.83020352      7.48701083    -15.98555739
  H     12.72969291      7.94365152    -12.74446442
  H     13.41968150      7.26169477     -8.81303066
  O     11.43612951      8.03148242    -14.08174714
  H     13.31126475      8.77805517    -11.57576711
  H     14.99891440      8.23562864    -13.03225333
  O     14.34621390      7.38874160     -8.57951596
  H     10.50585516      4.99539134    -14.56962561
  H     15.71360773      8.01707248    -14.38560331
  O     15.84061978      8.36833198    -13.49794668
  H     11.23906295      6.27614711    -14.10587213
  H     13.76236672     10.26883574    -10.07874926
  O     12.97737906     10.29850617    -10.64120246
  H     11.32923395      9.62674638    -10.39897171
  H     13.06486662     11.05725172    -11.23156662
          69
 Ord_Energy   -248.331528    
 O    1.79574525       4.96390820       6.22386694    
 H    2.55276823       4.84412527       5.63224745    
 H    1.21612191       4.20692015       6.08912182    
 O    3.72562289       1.91051996       5.94166660    
 H    3.89347148       2.80523968       5.61319017    
 H    3.07517886       1.51017249       5.35302544    
 O    5.56118393       3.09864426       2.86071491    
 H    6.11385202       3.40843225       2.14792371    
 H    6.08128023       2.43639851       3.35085297    
 O    2.62421751      -1.49284542       5.72659731    
 H    3.21453261      -2.25093222       5.64312983    
 H    2.57224679      -1.30619466       6.67433643    
 O    6.04518270       2.95987630       9.10937595    
 H    6.44203186       2.48810267       9.85196972    
 H    5.11380196       3.08616114       9.34035778    
 O    5.46295118      -1.34061491       7.73343849    
 H    5.83905315     -0.498590559       7.43708420    
 H    4.54969168      -1.15118647       7.99302769    
 O    3.02140474       5.82007694       8.49048901    
 H    2.73151374       6.70295048       8.70357227    
 H    2.51673198       5.54073191       7.70531654    
 O    6.07116938      -1.15890419       10.4927788    
 H    6.02502155      -1.32029819       9.54185486    
 H    5.16573906      -1.25305891       10.8138151    
 O    3.53024602       1.04951131       2.49828053    
 H    4.12252331       1.81019819       2.53114271    
 H    4.07019854      0.290553153       2.75286651    
 O    2.79514575     -0.808721423       8.45457077    
 H    2.44076848       8.74808207E-02   8.36595726    
 H    2.87469673     -0.976023793       9.40234280    
 O    3.34249401       3.37112689       9.80827904    
 H    3.21027875       4.27509975       9.49603176    
 H    2.77887630       2.81105089       9.25589752    
 O    4.98704004      -3.18709970       5.74388313    
 H    5.25487566      -2.60183644       6.47369671    
 H    5.29816484      -4.06012917       5.96623421    
 O   0.172740787       2.56335473       5.95033741    
 H   0.609357655       1.93877041       5.34648705    
 H  -0.750638723       2.57262373       5.71114922    
 O    3.29007030      -1.01065397       11.2084103    
 H    2.83197165      -1.40849662       11.9437628    
 H    3.47610450      -8.73055011E-02   11.4594040    
 O    5.52788448       5.08328438       7.25435257    
 H    4.76670742       5.45289278       7.71966600    
 H    5.89898396       4.42164660       7.85043621    
 O    1.62514591      0.773984730       4.43809700    
 H    2.15103912      0.881473899       3.63020825    
 H    1.79939580     -0.106146373       4.80003071    
 O    6.17125559       1.20065939       6.96549082    
 H    5.31348896       1.39936471       6.55787230    
 H    6.25143623       1.80351686       7.71533680    
 O    6.82632399       1.33905160       11.2772398    
 H    7.58280087       1.29783452       11.8560114    
 H    6.64390993      0.427431166       10.9877872    
 O    6.81370497       1.13163269       4.24627399    
 H    6.84067488       1.22967637       5.20704317    
 H    6.25398064      0.358377635       4.09523010    
 O    4.90839291     -0.957771659       4.00634289    
 H    4.15649605     -0.788442671       4.58801317    
 H    5.20965147      -1.82709932       4.29342365    
 O    4.21923637       4.41774321       4.94090080    
 H    4.73421192       4.11072588       4.18504047    
 H    4.82266378       4.69845867       5.64796925    
 O    4.00785303       1.52971351       11.8135061    
 H    4.97181034       1.55399561       11.7748222    
 H    3.70135880       2.24230385       11.2366390    
 O    1.95649529       1.79160702       8.00997066    
 H    1.16023600       2.04182935       7.52877045    
 H    2.67604566       1.88821065       7.36433935    
          69
 Energy    -248.33129728958534     
  O     16.82563629     10.92854422    -11.05726006
  H     16.10305003     10.65170204    -11.63925535
  H     13.69604942      9.90465083     -6.93650989
  O     15.31962382      5.64764098     -7.24651729
  H     17.61388790     10.43446374    -11.31901392
  H     14.49719204      9.30963526     -8.71587432
  O     16.49313909     12.95796831     -9.26956416
  H     15.40065242      4.89171739     -6.67169079
  H     13.11876115      9.48862232     -9.42929881
  O     13.07435024      6.56003611     -8.74892389
  H     15.46502881      6.43653576     -6.69266149
  H     16.50638387      7.58163194     -9.30528240
  O     14.85898414      9.84246752    -12.62732767
  H     16.14483171     13.74074129     -9.68980878
  H     16.22901811      6.14951148     -8.79446925
  O     19.03116752      9.31953327    -11.59632791
  H     16.57914712     12.28503871     -9.96575626
  H     18.14321030      8.51507913    -13.10701481
  O     20.72936001     10.78396753     -9.91746933
  H     13.15855289      7.50990954     -8.58751382
  H     16.89570205      7.60574725    -13.19215115
  O     19.22126583      6.79111738    -10.34931589
  H     13.76106243      6.14274495     -8.21699522
  H     17.52532797     12.00076644     -5.94909398
  O     12.76280548      6.54787026    -11.44063257
  H     15.06192813      8.92517274    -12.39134126
  H     18.64517058     12.16488869     -4.88841141
  O     15.92784225     12.20290351     -6.54837600
  H     15.12809638      9.95219255    -13.55058737
  H     15.96241607      9.63631599    -16.05475626
  O     12.54084233      9.42809309    -11.12119553
  H     19.68371868      9.86757803    -11.13995493
  H     16.63758665      9.18597246    -14.74763211
  O     13.97882670     10.17144078     -6.04381240
  H     19.09098624      8.44592260    -11.18671242
  H     16.88743155      9.37929600     -8.16259905
  O     13.53926993      9.33843052     -8.57063682
  H     20.18172036     11.39943936     -9.39770177
  H     16.52887008      9.87565810     -9.61331120
  O     16.63527754      6.64278114     -9.51619925
  H     21.56903860     11.21422455    -10.05505749
  H     18.30961526     12.70853086     -8.73470594
  O     17.57738017      8.03639821    -13.72521652
  H     19.48136730      6.01526722    -10.83959607
  H     19.07197503     12.24692551     -7.48205462
  O     18.45999990     11.80305058     -5.75006402
  H     18.31447151      6.63710070    -10.03484203
  H     15.14295359      8.63708220     -5.78094638
  O     16.00943083      9.82718470    -15.12204397
  H     12.08132356      5.93786366    -11.70904904
  H     16.62206969      8.28901126     -6.03616043
  O     16.27565479      9.27307134     -8.90386358
  H     12.84705726      6.46790422    -10.47293264
  H     15.85451691      6.90566241    -11.16978542
  O     19.17559358     12.41669675     -8.42654374
  H     15.95351010     12.41335573     -7.48980690
  H     14.52551665      6.86797071    -11.94819888
  O     15.76400956      7.90083905     -5.81337239
  H     15.23922461     11.54150790     -6.41121925
  H     20.48549499      9.25271139     -8.78569306
  O     15.44655264      7.15466682    -12.00923955
  H     13.24465497      9.74157987    -11.70604993
  H     19.98072267      7.80489591     -8.91991741
  O     20.20466758      8.48475463     -8.27287502
  H     12.45151153      8.48715531    -11.31433344
  H     18.24869824     10.05644049     -6.33940528
  O     18.04039749      9.21361775     -6.75919138
  H     13.18420274     10.31821314     -5.53682709
  H     18.83902198      8.90845502     -7.21455962
          69
 Energy    -248.33097129862631     
  O     17.19531453      9.46869603    -11.15792489
  H     18.11720506      9.23436033    -10.99237123
  H     14.29452192      8.99010341     -6.20412413
  O     14.18572425      5.53268036     -7.60051412
  H     17.02660343     10.39288484    -10.93190107
  H     19.24646493      4.90968326    -11.27003614
  O     16.09823361     11.89123771    -10.40237369
  H     13.50623657      5.69218020     -8.26572557
  H     19.87539561      3.82603890    -12.17381115
  O     12.61773179      6.13034712     -9.94606571
  H     14.97694834      5.32362111     -8.11347809
  H     15.76056790      5.46859503    -10.33285713
  O     15.36595447      8.30227321    -12.81478396
  H     16.12992320     12.83063624    -10.55988289
  H     16.22585755      6.47563910     -9.27399671
  O     19.63544259      8.33452381    -10.59743396
  H     16.06675757     11.76995818     -9.43575106
  H     19.48061013      6.28481631    -12.97014804
  O     20.50462210      9.48431309     -8.14606747
  H     11.78837206      5.79484955    -10.27724582
  H     19.61126698      7.72730601    -12.45332938
  O     18.99343373      5.71458847     -9.71963266
  H     13.28202845      5.95266930    -10.63334574
  H     18.01318045      9.52804033     -6.35676271
  O     16.11050772     11.45880756     -7.74199951
  H     15.84346275      7.97945240    -13.58855718
  H     18.54269152     10.73621859     -5.54827249
  O     13.86474892     10.26713908    -11.39502722
  H     16.04201826      8.69776189    -12.24186370
  H     17.33312526      7.34234316    -15.63591780
  O     13.34942095      8.76219124     -9.16689023
  H     20.01182632      8.77400365     -9.82590011
  H     17.96226795      7.28007784    -14.22478650
  O     14.13148418      9.79788883     -6.70249222
  H     19.38972013      7.44241552    -10.31161828
  H     15.14117077      8.41113569     -8.96512888
  O     19.28642387      4.57628687    -12.18273884
  H     19.82421025      9.88613030     -7.58336703
  H     16.48044847      8.66280442     -9.72071619
  O     16.27141452      5.53629076     -9.51675010
  H     21.32091612      9.94148938     -7.95611808
  H     14.49099603      6.58860850     -6.22705272
  O     19.41892326      7.21004483    -13.24347765
  H     18.03975720      5.56069335     -9.64148784
  H     14.31571061      6.84014322     -4.71381780
  O     18.48860273     10.37484934     -6.43010484
  H     19.31356453      5.95092263     -8.83779244
  H     15.21391600      5.25593438    -12.34407026
  O     17.12728230      7.18849353    -14.71776418
  H     16.93330522     11.18590611     -7.32634814
  H     14.79722819      6.71530482    -12.08441446
  O     16.08367420      8.19722760     -8.97456590
  H     15.40856586     10.92846204     -7.33509806
  H     20.11454621      7.64510595     -7.50981160
  O     14.72125477      7.19457170     -5.50046087
  H     14.26094344      9.65260935    -12.02712322
  H     18.81547173      7.08386980     -6.91722916
  O     14.63847696      5.80583322    -11.79258304
  H     14.56265085     10.88031190    -11.13552997
  H     16.84448339      8.11448055     -7.39389851
  O     19.66409336      6.81989750     -7.29845293
  H     12.98240529      7.91252833     -9.43483908
  H     16.45872510      7.67085544     -5.97235605
  O     17.20216617      7.98416110     -6.50027787
  H     13.40884188      9.32241192     -9.95605448
  H     17.48654331      4.54894016    -12.93391724
  O     16.62514845      4.70907263    -13.33672372
  H     13.68142524      9.51101984     -7.51037310
  H     16.75230598      5.46953130    -13.91856804
          69
 Energy    -248.33094557842898     
  O     18.21020236     10.11424495    -11.57657099
  H     18.22743406      9.14549339    -11.58811544
  H     13.51783584      5.13133098    -16.43521234
  O     13.30403767     10.98813997    -15.79171919
  H     18.10326891     10.39105642    -12.49340917
  H     13.08346353      7.89961805    -15.99786800
  O     13.34511883      6.93036230    -12.81171848
  H     13.02864176     11.71369234    -16.34623926
  H     13.69765819      9.24764865    -16.37988093
  O     13.83037495      4.28481991    -13.24374934
  H     13.99175357     11.33774103    -15.19781058
  H     15.16927729      9.39329473    -12.34979329
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  H     16.21136698      8.21732304    -12.28614866
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  H     13.05521422      7.02613736    -11.89519089
  H     18.49928481     11.06313048    -14.93509464
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  H     17.37336546     10.01362315    -14.81816335
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  H     13.57956073      7.65456316     -9.72700171
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  H     12.07559358     10.28052349    -14.50071022
  H     12.31102399      8.19922101    -10.41631257
  O     16.44125499     10.61134892     -9.59402652
  H     11.36288279      8.93540345    -14.29539612
  H     15.65068502      8.92226695     -9.18085996
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  H     15.77084518      7.37689975     -9.18774813
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  H     15.03643519     10.88852402    -10.77122849
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  H     12.27108602      7.15113131    -14.15689663
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  H     11.10805904     10.40119466    -10.83645798
  O     17.77901647     10.77875909    -14.37721865
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  H     11.69678535      9.85099654    -12.15371586
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  H     17.01562461      5.13236885     -9.10488283
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  H     16.44136260      3.46598255    -15.44310990
  H     15.76052095      5.33313741     -9.98210022
  O     11.72149549      7.20294947    -14.95811781
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  H     16.04216874      8.60077621    -14.41793100
  O     11.83810817      9.89943795    -11.19094267
  H     16.82065962     11.18230667     -8.93163525
  H     15.62096949      8.46024548    -15.88508790
  O     16.61632791      5.72542814     -9.73618299
  H     17.12266930     10.48221293    -10.27871580
  H     17.84709253      6.93296478    -12.54717296
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  H     12.59045854      4.24739803    -14.60467948
  H     17.43532986      6.74637618    -11.04389329
  O     17.73513172      7.38867859    -11.69781131
  H     11.51289570      3.61892519    -15.51473798
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  O     17.76455259      6.34743017    -14.22352913
  H     14.25713516      6.44198036    -16.79069811
  H     17.40593980      7.07075134    -14.75386065
          69
 Energy    -248.33094425839667     
  O     -7.58243172     -2.13406383      6.22572740
  H     -6.65310219     -1.87973271      6.27009997
  H     -8.19690478     -1.76407612     -0.08126516
  O    -10.40956459     -1.98119326      2.82885946
  H     -8.08558259     -1.43659435      6.66295395
  H     -4.70406537      0.25929889      1.09378255
  O     -8.47958616     -3.64527295      4.16566561
  H     -9.85631427     -2.65715596      3.23616382
  H     -3.35263052      0.99567764      1.29918509
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  H    -10.43909842     -1.26606539      3.47940174
  H     -7.15486817     -0.60698991      3.08250573
  O     -5.77130044      1.19501631      5.47435327
  H     -8.19646519     -3.11909121      4.93588080
  H     -7.66314270      0.81856914      2.70156831
  O     -7.29347703      4.08858338      0.24321476
  H     -8.58547221     -4.54202336      4.47092572
  H     -4.55773528     -1.51007715      5.26735973
  O     -8.42646686      1.71094987      1.20923823
  H     -6.46489228     -0.53434572     -0.21352684
  H     -4.13847108     -1.69416222      6.74645580
  O     -9.14886035     -0.01743839      7.34720114
  H     -6.96447534      0.78201899      0.41497986
  H     -2.11845475      3.46447696      1.31246620
  O     -4.24571711     -1.73112192      3.58646720
  H     -6.35997191      0.88605279      4.76580111
  H     -3.40992025      3.01235555      2.02720467
  O     -5.07498049      2.86874115     -0.70076003
  H     -5.36759535      0.40332944      5.84961024
  H     -8.93659807      5.13293056      5.02880439
  O     -9.93102966      0.07705224      4.64602523
  H     -7.65158152      4.72782504     -0.36673027
  H     -7.95249365      4.27872688      4.19764880
  O     -7.33619452     -2.18438544     -0.27366452
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  H    -10.27050850      1.64020127      3.71734593
  O     -3.92505245      0.31402512      1.66664458
  H     -8.09940392      2.53272739      0.82290914
  H     -9.74346346      3.08780218      3.73443540
  O     -7.38589446      0.26170503      3.43840994
  H     -9.10886882      1.97077602      1.85164373
  H     -7.33442002     -2.86391669      2.97489604
  O     -4.82647166     -1.34098699      6.18940375
  H     -9.59946523      0.01876540      8.18621676
  H     -6.92054787     -2.38840662      1.54064616
  O     -2.93229783      2.98449214      1.18148020
  H     -8.72988753      0.85259427      7.21486277
  H     -9.92397004     -1.27015191      1.25552178
  O     -8.70480226      4.23278757      4.81469616
  H     -3.95272810     -1.04835968      2.97087365
  H     -9.37225889      0.04671631      0.64230992
  O    -10.14396040      2.42170416      3.16170643
  H     -5.06436312     -2.07435372      3.20032463
  H     -8.25733002      2.99633280      6.18207141
  O     -6.72043012     -2.30478208      2.48021555
  H     -4.28690884      2.96319574     -0.15131608
  H     -7.09211919      2.01987948      6.43306679
  O     -9.54603844     -0.88004762      0.45150457
  H     -5.35661059      1.94724474     -0.62520745
  H     -4.83750643      2.17332135      4.24936007
  O     -7.93334563      2.32907246      6.79839145
  H     -9.02700595      0.08972426      4.29666979
  H     -4.46392167      1.64833228      2.86039345
  O     -4.53173123      2.46251575      3.37897504
  H     -9.84321940      0.02080380      5.60373978
  H     -5.92043037      3.68582422      3.12336916
  O     -6.67536027      4.27879827      3.02260747
  H     -7.48037389     -2.80912004     -0.97801962
  H     -6.87543993      4.30857622      2.07990022
          69
 Energy    -248.33081814246873     
  O      2.67884120     -2.45286134     -3.19638535
  H      3.46934687     -2.56468753     -2.63733140
  H      1.97651456     -1.45705090      3.90308985
  O     -1.01840206     -0.34424666      2.39828254
  H      2.99061638     -2.29238835     -4.08315827
  H     -0.10407584     -7.49109439     -1.41010506
  O     -1.22327450     -3.86028952     -0.72572873
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  H      0.14674074     -6.25116916     -2.31280869
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  H     -0.44071069     -4.04460025     -1.26368436
  H      2.33007842     -5.65180182      0.57581058
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  H     -1.90704945     -4.47937837     -1.01049620
  H     -0.90659408     -4.35955557      1.00357927
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  H      2.40162116     -5.26267773      3.06956858
  H     -0.47463433     -3.96882380      2.44046928
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  H      4.29217365     -3.78869399      2.72940739
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  H      5.14473435     -3.50540031     -1.15402519
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  H      3.47610225     -1.30826703      4.18197479
  H      4.72830459     -2.07860807     -0.78160509
          69
 Energy    -248.33072574963390     
  O     -7.58266006      2.73403625      0.01300864
  H     -6.81087678      3.28190855     -0.21539842
  H     -6.88854458     -0.81712355      2.00256384
  O     -4.05184071      3.63189361     -3.09511818
  H     -8.33174583      3.32200983      0.06045675
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  O     -6.46498756      0.91346293      1.80821038
  H     -4.30570351      3.94591114     -3.95869064
  H     -5.46737754     -1.94527783      3.00794926
  O     -3.27304229     -1.79173367      1.03870831
  H     -4.33169480      2.70000417     -3.03915256
  H     -1.48856642      0.90911351      2.11332256
  O     -1.06038140      0.55019501     -1.79134010
  H     -5.79116350      1.17733119      2.45435258
  H     -0.81396742      2.17474723      2.64447272
  O     -4.77913557      1.04403937     -2.79577088
  H     -6.87431552      1.68275666      1.39766399
  H     -2.64600684      2.67562442      1.51715847
  O     -4.42061004     -2.70990190     -1.33751220
  H     -3.66164819     -0.97629677      0.68043467
  H     -3.61347157      2.05701583      0.49816137
  O     -2.89371386     -1.02865423     -3.09867209
  H     -3.66575175     -1.92979977      1.90948359
  H      0.78985157     -0.19003354      1.24807835
  O     -1.75609162      3.26466876     -1.53116650
  H     -0.09245671      0.60374373     -1.77088830
  H      2.15614298     -0.60075236      1.84407139
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  H     -1.37938280      1.46132384     -1.75557170
  H      1.26982359      1.89496710      1.88265360
  O      1.59330757      1.04634580     -1.34112355
  H     -5.69524922      0.78711355     -2.60108845
  H      0.83947411      3.17179737      1.15060299
  O     -6.88162987     -1.78692540      2.01212908
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  H     -7.26082244     -0.38563270     -1.38003693
  O     -4.61589353     -1.90860676      3.48184140
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  H     -7.45820198      1.14754523     -1.15759453
  O     -1.64181167      1.67442726      2.68392078
  H     -3.90011850     -2.21482668     -1.98017111
  H     -3.40883743      1.25258699      3.38731483
  O     -3.19139331      2.89225311      0.75159957
  H     -2.20904382     -0.51864189     -2.63307077
  H     -4.32575294      0.03364436      3.63927995
  O      1.71832423      0.08421271      1.34569423
  H     -2.47863316     -1.39158709     -3.87763915
  H     -7.57632299     -2.87925991     -1.20789270
  O      0.82512818      2.74208671      2.01378432
  H     -2.20817258      3.19631749     -0.67514734
  H     -6.11787207     -2.40187435     -1.03278735
  O     -7.21877473      0.47843431     -1.80926699
  H     -2.43329012      3.49860319     -2.17655965
  H     -4.61529439      0.68066150     -0.90994553
  O     -4.32669221      0.99265981      3.52948400
  H     -1.65561741     -1.04585024      0.99005106
  H     -5.19112953      0.59480270      0.54538051
  O     -7.04298094     -2.19343592     -0.81319800
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  H     -4.96423473      4.10291613     -1.45657936
  O     -4.38605216      0.52237048      0.01191286
  H      1.81595393      0.66920247     -0.48053846
  H     -4.61592821      3.86545700      0.02246039
  O     -5.33497491      4.13063749     -0.56718025
  H      1.48763894      1.99427756     -1.18636054
  H      1.15066231      4.59634827     -0.98624731
  O      0.83608928      3.73741800     -0.71458459
  H     -6.97994192     -2.04646221      1.08919494
  H     -0.07137959      3.65446207     -1.05071105
          69
 Energy    -248.33064750528746     
  O     14.96877611     10.55426944    -10.73306105
  H     14.66371767     10.88938375    -11.58598201
  H     16.37376621      4.54575935    -11.56756747
  O     13.04757083      9.87951274    -16.53414107
  H     14.24815136     10.04548684    -10.32987949
  H     12.55754066      8.36350872    -10.36568736
  O     16.99163339     10.39506617    -14.18152710
  H     13.16297687     10.81003171    -16.30386575
  H     13.73132268      8.04725867     -9.42193173
  O     13.47489436      5.39098172    -12.05924994
  H     12.82334480      9.42863849    -15.71036747
  H     18.16236527      6.83069579    -15.03312607
  O     17.54001172      7.97684711     -8.22129666
  H     16.11562553     10.59886450    -13.82602454
  H     18.83967501      6.84346168    -13.65706695
  O     16.28391439     11.64837550    -16.61251117
  H     17.63870087     10.53907314    -13.48114157
  H     14.74973500     12.30867485    -16.07798016
  O     15.87359692      8.06349358    -11.66908757
  H     14.17038367      5.00497429    -11.52129389
  H     13.65716163     13.40039278    -15.95534436
  O     14.34572442     10.99128230    -13.38905146
  H     13.91921989      5.76189443    -12.83431203
  H     13.56134306      8.03167540    -14.07089946
  O     18.63184392      7.84977315    -12.09822121
  H     17.94838917      7.95049344     -7.35955035
  H     12.30624050      8.36586088    -13.24055096
  O     18.87633408     10.65597891    -12.07669852
  H     18.00065774      7.31992821     -8.77327832
  H     15.19064174      8.96335329    -18.71758412
  O     16.78256548      4.76013400    -13.20582222
  H     16.09042433     10.87455649    -17.15630212
  H     14.49393183      9.38732157    -17.40203099
  O     16.07190362      4.49666011    -10.64081231
  H     16.70289001     11.30553224    -15.81119185
  H     12.22814079      6.63079661    -11.78656039
  O     13.15072118      8.76089610     -9.71751908
  H     15.63489398      8.97639048    -11.46476635
  H     10.75396767      7.06956292    -11.62713641
  O     18.70559062      6.29455257    -14.44252868
  H     15.62188489      7.55638002    -10.88714110
  H     15.47396606      5.95079466     -9.55212730
  O     13.87049245     12.50547572    -15.70682679
  H     14.12748861     11.63028147    -14.07846759
  H     15.93216512      7.21600704     -8.76811717
  O     12.86063753      8.68930974    -13.96057058
  H     13.79746890     10.21040139    -13.55051348
  H     17.87688270      5.47257299    -10.19411183
  O     15.35891146      9.20557659    -17.81095997
  H     18.93550447      8.76430519    -12.11360882
  H     18.72973578      6.64973009    -10.71422500
  O     11.63935572      7.40429923    -11.74740401
  H     17.67047696      7.90042068    -11.98748908
  H     15.29033723      7.29177963    -13.12745388
  O     15.18758331      6.81856340     -9.24206788
  H     19.59424548     11.27917070    -12.00715464
  H     15.55781961      7.18342647    -14.65344186
  O     18.53966359      6.11540088     -9.92817678
  H     18.43284476     10.63697493    -11.20875877
  H     17.55794285      9.65897595     -9.19867989
  O     14.97932579      6.86607823    -13.94517371
  H     17.58934426      5.10632916    -13.61396624
  H     16.61601513     10.60990680     -9.97518686
  O     17.54333708     10.45549924     -9.74029305
  H     16.08391224      5.30130693    -13.58914332
  H     16.91852505      8.83367751    -15.13074446
  O     16.75310058      8.04268841    -15.66544499
  H     16.10569975      3.57623150    -10.39032273
  H     16.34740820      8.34601205    -16.48684614
          69
 Energy    -248.33052734895489     
  O     13.03755831     10.48783104    -15.57604466
  H     13.71773425     10.15663225    -16.17714488
  H     22.05949118      8.71995592    -13.12473511
  O     17.41609890      6.73016687    -14.21838775
  H     13.43410872     11.23696124    -15.11577220
  H     15.99951669     11.31966181    -16.78667160
  O     17.58785212      9.82137648    -11.01548039
  H     17.71723440      6.59613078    -15.12134096
  H     15.79032648     12.31861723    -15.63697890
  O     18.61360789     10.82265115    -15.33737648
  H     17.04399193      7.62940115    -14.23281492
  H     16.04924014      9.70425585    -13.74167163
  O     15.16305431      6.68555779    -17.52594697
  H     17.32893867      9.58297423    -10.11629663
  H     17.27527235      9.79613939    -14.70411101
  O     14.43559043      7.53590364     -9.51204027
  H     17.99774180      9.03119273    -11.39577170
  H     10.96699301      8.44816677    -14.35437473
  O     15.10536602      5.96292064    -12.91268580
  H     18.89203147     11.13306014    -14.46178213
  H     12.26901376      9.18667169    -14.75085976
  O     15.27069626     10.54648381    -12.32798794
  H     17.96307647     11.43348146    -15.71103316
  H     18.34616417      6.70168012    -10.45910468
  O     17.86872617      7.25847812    -17.00081408
  H     14.74887422      6.19491580    -18.23077242
  H     17.60355638      7.15919499     -9.18669789
  O     15.61558055      5.03660523    -10.31562708
  H     14.62523143      6.53541443    -16.72744248
  H     14.10873738      6.08912995    -14.48607071
  O     20.18795903      8.58912632    -15.70683922
  H     14.70192713      6.62729398     -9.70009835
  H     13.00821909      7.02547720    -15.01912879
  O     21.10921465      8.78891705    -13.15835996
  H     14.04578033      7.86788532    -10.33116053
  H     20.11536264     10.43626697    -12.78883324
  O     16.39432214     12.08681664    -16.35353681
  H     15.27191750      5.53401267    -12.06430609
  H     18.82717182     10.86081955    -12.06193400
  O     16.51076682      9.25509687    -14.45844045
  H     15.96122204      6.10897287    -13.34018898
  H     18.44915311      7.16183915    -12.77624973
  O     11.91641973      8.41137322    -14.27755011
  H     14.67004768      9.80018836    -12.18596782
  H     19.73538433      7.89792440    -12.31782456
  O     17.87844838      6.37548300     -9.67754453
  H     16.07045038     10.38295986    -11.80786499
  H     16.56429320      9.05166826     -7.68876413
  O     13.66861387      6.37950030    -15.29560522
  H     17.00010873      6.89457483    -17.22770544
  H     15.82962024      8.37643712     -8.87231476
  O     19.45043582     11.13519690    -12.74588212
  H     17.76713557      8.19895861    -17.16114413
  H     14.24347145      7.49600043    -12.41168132
  O     18.89697292      7.53501518    -12.00512754
  H     16.47017522      5.44271499    -10.08254592
  H     13.00176198      8.34340712    -12.77376132
  O     16.67989785      8.75799381     -8.58818308
  H     15.59487789      4.17855058     -9.90089922
  H     14.32514016     13.28662893    -13.75561311
  O     13.72545846      8.26789130    -12.13971672
  H     19.68571749      9.42004553    -15.69480049
  H     14.80748648     11.85211010    -13.44398267
  O     14.54713591     12.45273580    -14.16251889
  H     19.63800565      7.95007137    -16.16667921
  H     15.17072876      8.59096638    -17.29414265
  O     15.29362604      9.47554146    -16.93274553
  H     20.85082951      8.66278179    -14.08899992
  H     15.65954501      9.34916669    -16.04220062
          69
 Ord_Energy   -248.330383    
 O   -5.70423365       6.31407022       4.24610329    
 H   -5.90280151       6.89547157       3.49818611    
 H   -5.20275736       6.86718369       4.85577154    
 O   -5.59922695       7.56019211     -0.661829174    
 H   -6.01830578       8.37246323     -0.966923594    
 H   -5.60095453       7.62181377      0.306345671    
 O   -2.83508062       7.25642824       2.47697210    
 H   -3.15838432       6.34493637       2.50631499    
 H   -2.39535689       7.44597626       3.31520271    
 O   -6.37061644       10.2727556      -1.18524945    
 H   -5.46999884       10.4330778      -1.51987600    
 H   -6.96882105       10.7169466      -1.78014839    
 O   -2.42063975       5.03177214      -1.78294432    
 H   -2.38128114       4.66016722      -2.66081333    
 H   -2.60500288       5.98040676      -1.88761389    
 O   -1.36933303       8.31178474      0.519568205    
 H   -1.90378416       7.95584297       1.25167191    
 H  -0.490231007       8.53282642      0.853628516    
 O   -5.48549795       8.01002312       2.03844070    
 H   -4.55784655       7.82511950       2.24664211    
 H   -5.55482244       8.96658611       1.92425871    
 O  -0.670040190       5.41850519      0.401235431    
 H  -0.875118792       6.35864544      0.454180151    
 H   -1.16214764       5.10309887     -0.367274761    
 O   -2.69500256       10.8533344      0.737585247    
 H   -2.21199799       10.0198345      0.687596381    
 H   -2.39173722       11.3012562       1.53864479    
 O  -0.220457047       9.93779850       3.84232497    
 H   0.334542781       9.58000755       3.14011860    
 H  -0.627010942       9.18045139       4.28666592    
 O   -5.41175842       10.7159710       1.48393893    
 H   -5.90928078       10.6819859      0.657917678    
 H   -4.48083639       10.7826653       1.22425449    
 O   -2.99950743       7.73338509      -1.67574918    
 H   -2.39938831       7.97039032     -0.954325497    
 H   -3.89297271       7.66877460      -1.30338109    
 O   -4.07887077       4.76767588       2.61654663    
 H   -4.73672104       5.14202690       3.21826029    
 H   -4.44028187       4.74233294       1.71812379    
 O  -0.250179082       5.25837135       4.74839687    
 H  -0.720710397       4.72976732       4.07719946    
 H   0.123985350       4.64145422       5.37161732    
 O   -3.74647212       10.5227213      -1.88247597    
 H   -3.31721473       10.8144064      -1.06692922    
 H   -3.41171527       9.63332558      -2.04934907    
 O   -4.76427794       4.89264584      -5.66195101E-02
 H   -3.99826598       4.78219557     -0.631014287    
 H   -5.20801210       5.69182110     -0.365764946    
 O    1.20862532       6.18942070       2.42355895    
 H   0.729643822       5.73006439       1.72204590    
 H   0.817816615       5.89699841       3.25519276    
 O   -1.47927904       3.96829295       2.74055195    
 H   -1.20627522       4.34736824       1.89653051    
 H   -2.44238448       4.07112598       2.76957750    
 O   -4.14627743       8.27211571       5.76737833    
 H   -4.23707628       9.05562401       5.19613266    
 H   -4.50438881       8.51660252       6.61749840    
 O   -1.54515815       7.73101187       4.88622141    
 H   -2.38263249       7.78989697       5.36503267    
 H   -1.15400982       6.85464001       5.00079966    
 O   -4.29873610       10.4903631       4.15386534    
 H   -4.87571526       10.6377621       3.39632559    
 H   -3.49627566       10.9890471       3.95624661    
 O    1.14607382       8.76031876       1.64960349    
 H    1.26115072       7.84698200       1.97007406    
 H    1.97814381       9.02909374       1.26966262    
 O   -1.96557677       11.8710451       3.24368358    
 H   -1.66120303       12.7165194       3.56147480    
 H   -1.29273999       11.2116623       3.49544382    
          69
 Energy    -248.33023697294465     
  O     11.92667702     11.13036999    -14.18772599
  H     12.53922868     11.87428506    -14.18413866
  H     15.14981048      6.14449865    -15.29817357
  O     15.63373633      6.70273701    -13.57952834
  H     12.26465083     10.52533487    -14.86355564
  H     19.30920675      8.60992867    -13.54235712
  O     17.40970520     10.65042764    -11.10457543
  H     15.64496624      7.62743811    -13.87008964
  H     18.89845664      7.13330708    -13.32008552
  O     17.71192525     10.58048377    -15.43637773
  H     14.97923533      6.65002926    -12.87079246
  H     15.21354881     11.52841318    -17.04783320
  O     12.09427567      6.79049636    -15.80391751
  H     17.08994758     10.05125234    -10.41734009
  H     16.38508358     11.72331719    -16.07126477
  O     16.07343675      8.92611349     -9.36708108
  H     16.61365644     10.99392073    -11.53248423
  H     14.66196157      9.33240195    -14.96084505
  O     13.96026467      6.73228509    -11.36457236
  H     18.22565310     10.63999073    -14.62002731
  H     16.18216209      9.70164099    -14.84111001
  O     15.02685036     11.18385219    -12.43274080
  H     18.11090110      9.87350991    -15.95970250
  H     10.25735168      9.93261234    -11.80959141
  O     16.18204628      7.97466763    -17.68179525
  H     11.31781222      6.36836717    -16.16117663
  H     11.38560408     10.20772593    -12.83219228
  O     16.38723540      6.11061934     -9.99315856
  H     11.96631059      6.84032125    -14.83911193
  H     11.46398557      7.90681610    -12.80253092
  O     18.79745384      8.23828691    -16.57176585
  H     16.21295041      7.98579288     -9.52490368
  H     12.45188360      6.76523448    -12.50501514
  O     14.82924598      6.05895326    -16.20557184
  H     15.17363535      9.11425169     -9.66280440
  H     18.58338540     10.48069955    -12.30899519
  O     19.30059130      7.73515199    -13.95400238
  H     13.86230330      7.67570798    -11.16100942
  H     19.97492519     10.93144829    -12.80923440
  O     15.54804169     12.11322951    -16.35770389
  H     14.65805545      6.40050062    -10.78828696
  H     17.08026804      6.09486363    -12.87662921
  O     15.43764132      9.28976474    -14.38521811
  H     15.16834291     10.47578465    -13.08038922
  H     18.10267880      4.94291416    -12.72463054
  O     11.11548139      9.63072146    -12.09452757
  H     14.69388680     11.93587755    -12.93417333
  H     15.23580289      9.34137254    -18.06053991
  O     11.77653337      7.05447436    -13.13097524
  H     17.08400642      7.98408847    -17.34465342
  H     14.50322496     10.17328870    -19.14208871
  O     19.21444174     10.40904533    -13.04892291
  H     15.71980661      7.25950673    -17.21977177
  H     12.69824173      9.51684759    -11.08643133
  O     17.85695706      5.79412995    -12.36853165
  H     16.69468511      5.51546700     -9.31311549
  H     14.10485110     10.09563288    -11.31183507
  O     14.64385051     10.10435088    -18.20220178
  H     16.98940910      6.00923130    -10.74612913
  H     14.02186673     14.00900531    -14.34717598
  O     13.61633318      9.43439838    -10.80009890
  H     18.98008955      7.96569494    -15.65502786
  H     14.56212558     12.74661575    -15.05527232
  O     14.03888853     13.05732713    -14.29482546
  H     19.59200083      8.06648150    -17.07052474
  H     13.51954221      9.61213127    -16.83113309
  O     13.13002950      9.38533676    -15.97709667
  H     13.87595163      6.19437372    -16.14760403
  H     12.76170877      8.49419555    -16.03085473
          69
 Energy    -248.33018535391747     
  O     14.28747355      3.26328696    -10.68557140
  H     14.40633750      2.35934554    -10.36836189
  H     14.57159991      9.08875213     -9.99303257
  O     12.38285254      3.22664145    -12.72205477
  H     13.64505447      3.21562460    -11.40943567
  H     14.20696998      7.39041486    -12.81819480
  O     16.82832306      3.58504923    -11.88342122
  H     11.76557735      3.89799848    -12.40902501
  H     14.13766006      6.29298061    -11.72208605
  O     11.47467660      7.19526262    -13.86480410
  H     12.90417434      3.64663990    -13.42362986
  H     13.65613138      4.87140919    -10.17652087
  O     13.43816957      0.60127640    -12.87110005
  H     17.12649189      4.50231675    -11.89150081
  H     12.42873613      5.73225459    -10.60650751
  O     14.70920808      0.52727243    -10.27973264
  H     15.96823472      3.56403791    -11.44139919
  H     14.85774680      0.46119260    -13.90100272
  O     16.90389806      9.33946127    -12.24490209
  H     11.80924719      6.92845723    -14.72833719
  H     15.68371101     -0.34431229    -14.93236057
  O     14.01845394      4.57809315    -14.45287649
  H     12.02408108      7.94580698    -13.59538207
  H     11.14454793      6.12510456    -12.54714397
  O     15.55245668     10.03270066    -14.63580137
  H     13.72801658      0.47252114    -11.95950603
  H     10.07181591      5.61915388    -11.55611541
  O     15.39275406      7.71071806    -15.94262641
  H     12.92063805      1.41667111    -12.87549310
  H     16.31081046      6.42891740    -12.33989890
  O     17.23606919      5.84229784    -15.02504111
  H     15.56342481      0.53043856    -10.74896915
  H     17.44581869      6.70171975    -11.30481243
  O     14.53546633      9.71562050    -10.72372301
  H     14.77692456     -0.12084937     -9.58441054
  H     16.57995143      3.28346996    -13.65589982
  O     14.55786523      6.52857052    -12.55811247
  H     17.14711393      8.42433536    -12.41793205
  H     16.19468361      2.20091742    -14.68651121
  O     13.28772635      5.76776874    -10.16531465
  H     16.53986024      9.67040883    -13.07762685
  H     17.13514444      1.71029713    -11.77089521
  O     15.71283805      0.42153748    -14.36523065
  H     14.81968697      4.05974778    -14.60414586
  H     16.69046540      0.55587950    -12.69091212
  O     10.99110218      5.52715948    -11.79271415
  H     14.24242730      5.28509169    -13.82823203
  H     12.57516153      5.89836924    -17.03278303
  O     17.26860198      6.35727856    -12.19270860
  H     15.53974500      9.21558634    -15.16899999
  H     13.25031910      5.58118692    -15.67723315
  O     16.36552394      3.14550226    -14.59110161
  H     15.66391056     10.75881716    -15.24274124
  H     14.20384473      6.96367844     -9.19629269
  O     16.95465864      0.76054939    -11.78526499
  H     14.55455961      7.27071703    -16.11480786
  H     14.49156531      7.66807877     -7.85224535
  O     12.86874454      6.29563501    -16.21651840
  H     16.03737551      7.02967768    -15.69978583
  H     17.44615983      8.55816842    -10.25913809
  O     14.76754968      7.62592649     -8.76492286
  H     17.46383167      6.03356076    -14.10725819
  H     16.57413264      7.65812240     -9.36836874
  O     17.43540743      7.71007883     -9.80384142
  H     17.07520697      4.89191534    -15.06189371
  H     14.01496499      9.46594504    -13.70334343
  O     13.39927373      9.03468640    -13.09839284
  H     15.38790889      9.64868781    -11.17784763
  H     13.62990503      9.34309436    -12.20827719
          69
 Energy    -248.33017869985554     
  O     -7.55474140     -1.15725423      7.00574660
  H     -6.62317984     -0.90039633      7.00765823
  H     -7.23659700      0.62679259      2.93092652
  O    -10.64065870     -1.86905605      4.80919387
  H     -8.05941656     -0.39666187      6.70021051
  H     -4.09146814     -0.70769604      7.45091844
  O     -8.43906457     -3.31830846      5.68574128
  H     -9.93536632     -2.46485336      5.10711989
  H     -4.54963398     -0.91059521      5.98568552
  O     -6.09900959     -0.51189517      0.35279560
  H    -11.45866371     -2.20268331      5.17102812
  H     -1.08620594      0.75583800      0.06344472
  O     -5.61410998      1.83342791      5.50337881
  H     -8.08881504     -2.58573182      6.22764476
  H     -2.10305980      1.81485317      0.55675791
  O     -4.77933360      3.85473929     -0.72249208
  H     -8.30507223     -4.12179714      6.18113625
  H     -8.51971983      3.95059892      4.02179501
  O     -4.26077522     -1.59192229      4.41395721
  H     -6.64723935     -1.29651412      0.45087256
  H     -7.94596277      4.22895724      2.61411112
  O     -4.44711000      1.18964434     -1.21442785
  H     -6.67460508      0.23034762      0.60106903
  H     -9.74927043      2.66564927      2.80323505
  O     -9.30261697      0.58712766      5.37507543
  H     -6.10802067      1.29535629      4.86305704
  H     -9.98756261      1.42946406      3.67659331
  O     -8.04895797     -2.49432443      1.05148099
  H     -5.22826253      1.19737334      6.11557255
  H     -7.33589836     -2.92069975      4.19580227
  O     -3.93704876     -0.03181827      2.09531086
  H     -4.84347339      4.33894330     -1.54132125
  H     -7.16511991     -2.66644934      2.66596857
  O     -7.09017742      0.23490377      3.80099445
  H     -4.72110876      2.91167322     -0.95768908
  H    -10.20337935     -0.09398562      2.16150606
  O     -4.79861966     -0.51532658      6.84131865
  H     -5.02269712     -2.10635181      4.11706272
  H    -10.35817717     -1.38377775      2.98461686
  O     -2.00727251      0.88890633      0.26814001
  H     -4.01761079     -1.04261404      3.65669260
  H     -7.18544240      2.90090560      5.73620444
  O     -8.77053587      4.12184596      3.10151070
  H     -3.57342716      0.99713682     -0.85136895
  H     -8.64401377      2.42905549      5.77057188
  O    -10.05564733      1.74329566      2.76847574
  H     -5.04285337      0.53443503     -0.82978200
  H     -3.25451923      3.72627104      0.46650490
  O     -6.74152996     -2.55948405      3.52763886
  H     -9.86340652     -0.19125401      5.27601597
  H     -3.07495059      3.26026471      1.92325227
  O    -10.09772802     -1.05192617      2.11687336
  H     -8.53487372      0.45337977      4.79242184
  H     -4.62626068      2.45804566      4.07078081
  O     -8.09638452      3.21590340      5.67125221
  H     -8.41787369     -3.13452870      0.44854886
  H     -4.21043577      1.64968801      2.81926564
  O     -2.59594369      3.40597317      1.09557563
  H     -8.79136915     -1.94809936      1.36694406
  H     -7.21456428      2.31027791      1.40661023
  O     -4.30632541      2.54885643      3.16461232
  H     -4.68042837     -0.26228596      1.52123312
  H     -8.54994667      1.57071442      1.70739417
  O     -7.65998497      1.45265540      1.35295753
  H     -3.18823806      0.15817036      1.51580022
  H     -5.60732634      3.45686759      2.24777138
  O     -6.28471262      3.81516960      1.65593757
  H     -6.88822903     -0.70084398      3.68564866
  H     -5.84981644      3.96590323      0.80722123
          69
 Energy    -248.33010271239431     
  O     11.74363919     10.53324736    -14.93717839
  H     11.87677859      9.93232684    -15.68473901
  H     14.35613639      5.61847759    -15.89018154
  O     15.85346450      6.41266631    -13.22076164
  H     12.39308416     11.23990176    -15.01871078
  H     19.42007165      7.31926538    -14.10369946
  O     17.38056893     10.49527155    -12.22007462
  H     15.14647526      6.47204689    -12.56388967
  H     20.51037573      6.38338659    -13.54702302
  O     18.23820036     10.83062633    -14.80876344
  H     16.63223335      6.80055054    -12.80141707
  H     16.73499102     11.41928465    -15.81679900
  O     12.47036921      5.97823661    -15.89401562
  H     16.45598524     10.67457248    -12.44673318
  H     15.66052462     10.80144235    -16.73362719
  O     15.24162949      9.65443380     -9.02550569
  H     17.51333405     10.83745364    -11.32393113
  H     15.15340358      7.85768786    -14.08298595
  O     13.91830706      6.94431420    -11.24268378
  H     18.00461690     10.73377726    -13.87060161
  H     13.67017140      8.25133760    -14.23420126
  O     14.76454061     10.87186596    -12.96846234
  H     19.05458712     11.32526590    -14.83412608
  H     11.15254333      9.93317591    -13.46372608
  O     16.88042316      6.96955277    -17.45274422
  H     12.29708643      6.32168881    -15.00101377
  H      9.95694780      9.71690761    -12.50137879
  O     16.18988219      6.99785320     -9.58248045
  H     11.82025867      5.29829572    -16.05542234
  H     12.71110597      6.90946151    -12.66360830
  O     18.60239203      8.06419165    -15.45464366
  H     14.45559740      9.71965216     -9.58184866
  H     11.62700529      7.89259140    -13.17987649
  O     15.31023755      5.49044347    -15.82637961
  H     15.54587991      8.74163175     -9.09924411
  H     18.57371441      7.46639410    -12.13403031
  O     19.80670042      6.96802789    -13.28175688
  H     14.60038944      6.79567090    -10.57579960
  H     17.66154259      8.70609511    -11.86793412
  O     15.93281539     11.62790561    -16.30990690
  H     13.68074064      7.88088522    -11.16218014
  H     16.61078976     10.74622012     -9.33581276
  O     14.56867064      8.55827713    -14.40117388
  H     14.43153116     11.59062852    -13.51800809
  H     17.57540481     11.85486397     -8.87929440
  O     10.87383141      9.49553585    -12.63644975
  H     14.71853557     10.07126096    -13.51575578
  H     15.70918644      8.41767689    -17.36644849
  O     12.20450835      7.16529171    -13.44600776
  H     17.17328216      6.45599102    -18.20040284
  H     14.91181624      8.91759893    -16.14096885
  O     17.77170802      7.76478900    -11.67939180
  H     16.33375933      6.37994846    -16.90170171
  H     13.77787260     10.15521779    -11.64661066
  O     17.38195740     11.27251256     -9.60823084
  H     16.81610971      7.25365199    -10.28237531
  H     12.33511729      9.65724036    -11.42797905
  O     15.08929671      9.09785203    -17.07806180
  H     16.66077259      6.41710880     -8.99068715
  H     13.64515909     13.48386696    -15.15388555
  O     13.21906707      9.64371008    -11.04224927
  H     18.04025253      7.73338517    -16.16384852
  H     14.55567000     12.28224968    -15.50286412
  O     13.78889231     12.56017639    -14.96868208
  H     18.41820445      9.00540494    -15.35401496
  H     12.29784328      7.75133355    -16.71693005
  O     12.31066785      8.68865283    -16.94006450
  H     15.54940551      5.65164735    -14.90353869
  H     13.22223896      8.87543038    -17.20282378
          69
 Energy    -248.33001815622276     
  O     12.89178717      9.90404984    -11.16082363
  H     12.50654528     10.62149049    -11.67839496
  H     13.68793143      8.01161829    -13.24463553
  O     12.03825313      8.05218298    -14.16040249
  H     13.50114832      9.42483206    -11.73853173
  H     13.51430625     15.44602562     -7.13936676
  O     11.92956327     12.07382033    -12.62303931
  H     11.78499431      7.51459805    -14.90647761
  H     14.05123135     14.86877623     -8.47147504
  O     14.35643136     10.76704266     -9.03714115
  H     12.16957131      8.95665873    -14.50074666
  H     11.15472363     12.66610204     -9.63279883
  O     14.30023948      6.46841809    -10.48842254
  H     11.39078280     12.43742210    -11.90901324
  H      9.93985348     12.10628675    -10.41390335
  O     13.78125889     16.03374804    -11.83631961
  H     12.71551647     12.63216238    -12.70270068
  H     11.46365578      7.49455618     -6.56226379
  O     10.02659546      8.41004872    -12.06092378
  H     13.82490727     10.49297722     -9.80205870
  H     11.34469883      8.73868315     -7.47398631
  O     14.29408158     13.51421908    -12.87681900
  H     14.59778494      9.94811609     -8.58497999
  H     11.06385254     10.95675219     -7.90763626
  O     15.29808937     14.82598016     -9.69436453
  H     13.36780135      6.72197491    -10.37658902
  H      9.99683160     10.21381557     -8.74766569
  O     11.81201381      7.56012827    -10.11049749
  H     14.34186517      5.51966138    -10.39549653
  H     14.67912116      7.59831640     -8.83623038
  O     11.68420347     15.44831235    -10.22630980
  H     13.73176156     16.93744869    -12.13474076
  H     13.71374183      8.06079742     -7.72934988
  O     14.46962959      8.20597109    -12.70954618
  H     12.97703546     15.86460957    -11.31256069
  H     15.37157092     11.79045951    -10.15598638
  O     13.26721687     14.92041319     -7.89517047
  H     10.61179699      8.36296815    -12.82490188
  H     16.05953445     11.63954682    -11.53639290
  O     10.54882567     12.85396097    -10.36568084
  H     10.48921467      7.91473296    -11.37011469
  H     13.31286246     10.97869422    -15.11234067
  O     11.83125956      7.90429079     -7.34027166
  H     14.13102405     14.43294753    -12.63075234
  H     12.09663705     11.13193340    -14.18628048
  O     10.50901373     10.16499814     -7.93263112
  H     14.79977383     13.10375754    -12.15873374
  H      8.14167138     10.36484262    -10.46207168
  O     14.60623832      8.18714889     -8.07737706
  H     14.94189280     15.32023848    -10.44247438
  H      9.42241138      9.77124070    -11.07826821
  O     15.77449271     12.29167603    -10.87828783
  H     15.61615267     13.98636780    -10.05136818
  H     14.73690984     12.61294979    -14.35759166
  O     12.44945056     10.59842793    -14.91302416
  H     12.10675555      8.43461265    -10.41486413
  H     15.41143602     12.46510833    -15.74002127
  O      9.09355361     10.43611772    -10.45018668
  H     11.72379146      7.60707969     -9.15010306
  H     15.86128001     10.88511345    -13.73489459
  O     14.95438590     11.97635268    -15.06008301
  H     11.14452711     14.65656776    -10.34516823
  H     15.70020896      9.62106456    -12.87678414
  O     16.16100631     10.46878434    -12.91837957
  H     12.10394009     15.35763884     -9.36108044
  H     13.03569692     11.80557602     -8.42903291
  O     12.25175899     12.33351674     -8.21600467
  H     14.53653369      7.52886422    -12.02356263
  H     12.56576378     13.21125709     -7.96869297
          69
 Energy    -248.32983184149606     
  O     14.90835868      3.46642972    -10.10206980
  H     14.82907031      2.50654903    -10.03187438
  H     17.10804815      5.59065195    -14.58960470
  O     12.79464437      4.21096886    -11.77620960
  H     14.16469805      3.76312870    -10.64634474
  H     13.91899133      9.28594356     -9.93170338
  O     17.05475741      3.46062560    -11.86524187
  H     12.18435049      4.81649169    -11.33825932
  H     13.78220771     10.78755251     -9.58547528
  O     11.74796722      7.41329776    -13.09916139
  H     13.12791590      4.67324939    -12.55630162
  H     15.59147817      7.87829888    -12.27273300
  O     13.12493401      1.54850597    -12.65229759
  H     16.32104606      3.46507102    -11.23364578
  H     14.64422118      7.26502330    -11.18757912
  O     14.75213613      0.66136901    -10.45848115
  H     17.51931459      4.29719734    -11.73534471
  H     12.74141095      7.13790707     -9.93452863
  O     16.86761535      9.04929424    -13.10860710
  H     12.19095796      8.27402277    -13.03370934
  H     14.12636389      6.97162956     -9.20524675
  O     16.96838318      9.49997231    -10.33456244
  H     12.34063346      6.83767034    -13.59315551
  H     14.22521780      1.44021015    -14.01767068
  O     13.91960661      5.68442917    -13.91583533
  H     12.85417182      2.43336722    -12.37537712
  H     14.59948342      0.82617461    -15.38730993
  O     15.05752113     10.15374599    -14.93360146
  H     13.53932031      1.15005070    -11.87696539
  H     10.33298140      6.35279534    -10.45928404
  O     15.22444919      7.55287736    -15.68654995
  H     14.79165858     -0.13030296     -9.92914235
  H     11.33656095      6.75027502    -11.57405281
  O     17.51354044      6.44274555    -14.37870913
  H     15.46597296      0.59582109    -11.11822197
  H     16.84793688      6.31860175    -11.70103351
  O     14.20380541     10.18076679    -10.18922640
  H     17.22809574      8.31050602    -13.61166109
  H     18.04279763      6.42832735    -10.74588938
  O     15.19412036      7.05840628    -11.95245237
  H     16.32999308      9.56744239    -13.72222337
  H     15.68909453      3.10437692    -14.70220053
  O     13.56633231      7.58360037     -9.70980162
  H     16.07060194      9.83436520    -10.21975646
  H     16.38886816      3.79529924    -13.52070860
  O     14.92800439      1.38761412    -14.69029423
  H     17.10462404      9.44467253    -11.28994230
  H     16.17392858      0.83470357    -13.27727501
  O     11.25249617      6.31083727    -10.70621618
  H     14.57032626      5.02407300    -14.19353309
  H     16.98808033      1.63737087    -12.24839847
  O     17.78499153      6.08272116    -11.60805328
  H     14.35791938      6.21725086    -13.22925940
  H     16.23171288      6.21139123     -8.73179976
  O     16.02591669      3.95854896    -14.40427399
  H     15.06413821     10.75860025    -15.67028499
  H     15.30319678      4.99564413     -9.03857567
  O     16.62960461      0.75666291    -12.43061633
  H     15.05098455      9.25302983    -15.30555342
  H     18.48137103      7.48339245     -8.40367921
  O     15.33993651      5.86310513     -8.61537791
  H     14.59526311      6.95319950    -15.27024869
  H     17.53951730      8.09166831     -9.46905636
  O     17.84648781      7.25401334     -9.07690116
  H     16.09043126      7.23612238    -15.39770222
  H     13.54451071     10.02678860    -12.00523591
  O     13.14830387      9.77118863    -12.84580795
  H     17.84880896      6.33021223    -13.47795446
  H     13.76813324     10.02248625    -13.54051520
          69
 Energy    -248.32954738120964     
  O     -5.12839732      3.21339364     -2.35944544
  H     -5.89861138      3.63257252     -2.73292397
  H      0.51422100      1.36147504      3.58397796
  O      0.00975093      2.64633144     -3.80985451
  H     -5.13668373      3.40842312     -1.40427656
  H      1.08060469      3.13108418     -0.51472383
  O     -4.99759374      3.59259446      0.32578559
  H     -0.85622965      2.87615649     -3.43694276
  H      1.83952491      3.88693987      0.60131254
  O     -2.21623999     -2.55099862      2.85940673
  H      0.16704011      3.26946236     -4.51499911
  H      3.11337025     -1.69531148      2.05646013
  O     -0.43866047     -0.37253859     -0.75191894
  H     -4.31747967      4.19917682      0.64471005
  H      1.73770094     -1.02902621      1.84030730
  O     -3.70237579     -1.91482985      0.70471384
  H     -4.86669886      2.75568443      0.78637365
  H      2.58445378      0.68063004      3.00926925
  O     -2.78663098     -1.38468311     -1.94273177
  H     -2.77701538     -2.42696024      2.07170035
  H      2.65509693      2.21374878      2.94084084
  O      1.27964466      1.64038823     -1.58037396
  H     -2.50063241     -3.35861479      3.27774690
  H     -4.86026080      0.56989412     -0.72502741
  O     -0.06129346     -1.05150360      1.91719097
  H     -1.18040522     -0.81604710     -1.18338254
  H     -4.92476819      1.33403685     -2.05471363
  O      3.53780936      1.18105836      0.01509761
  H     -0.33540413     -0.72797886      0.14179037
  H     -0.25901173      3.70053837      1.31374146
  O     -3.03828316      0.18642157      3.48678867
  H     -3.40456932     -1.91272623     -0.21217241
  H     -1.67601590      4.17641209      1.77247044
  O     -0.42832425      1.27222092      3.38141395
  H     -3.99957830     -1.01388021      0.88212740
  H     -3.95046128      0.72987053      2.02338966
  O      1.02929823      3.89612888      0.07624517
  H     -3.48222567     -0.70290691     -1.94684608
  H     -3.46643840      1.21336174      0.63063441
  O      2.69520740     -0.86888907      1.82690210
  H     -2.88788513     -1.88308436     -2.74954681
  H     -1.39448775      1.09099886     -0.31569183
  O      2.31605313      1.48346962      3.47227262
  H      0.74329805      0.87010998     -1.34748508
  H     -1.61148352      2.36959335      0.56778847
  O     -4.77811619      0.45769370     -1.67997050
  H      0.94829582      1.96508307     -2.42930965
  H     -1.54919423      4.76761574     -1.60764012
  O     -1.01879346      3.47748209      1.87302116
  H     -0.71237598     -1.67795406      2.25657011
  H     -0.31890451      5.02202445     -0.70879227
  O     -4.24841655      0.90533441      1.11787945
  H     -0.20847754     -0.21865601      2.39157974
  H     -2.21591844      2.74781263     -1.65605783
  O     -1.99059003      1.82942156     -0.13740743
  H      2.84423773      1.29109922     -0.65054576
  H     -3.27404472      3.34261863     -2.60687790
  O     -1.16567681      5.39746842     -0.98255546
  H      3.29306519      0.41051410      0.54223077
  H     -2.32057266      5.49254612      0.32308971
  O     -2.32381849      3.28527754     -2.45649514
  H     -2.83929691     -0.75611280      3.46112534
  H     -3.07403275      6.27901244      1.42519538
  O     -2.91126135      5.40002131      1.09283135
  H     -2.18394501      0.62065152      3.61426853
  H      3.52454914      2.61639877      0.99287954
  O      3.36365357      3.39257260      1.56138149
  H     -0.67906404      2.08857215      2.92596016
  H      4.19905707      3.84189320      1.65773693
          69
 Energy    -248.32938661920065     
  O      0.99425814     -0.43820445      4.81744374
  H      0.17662178     -0.92867746      5.01910569
  H     -1.80127486      3.16345939      1.20181001
  O      1.95740330     -0.48365123     -2.68552958
  H      1.42661361     -0.27823983      5.65227163
  H     -2.74331904     -0.00605124      3.84304440
  O     -1.32092183     -1.73912902      5.33116073
  H      1.20649925     -0.03568774     -2.27507888
  H     -3.40671152      1.12627326      4.63638012
  O     -0.11015379      0.46065082     -0.95629649
  H      1.76295306     -1.42670864     -2.61220550
  H      0.91631263      1.40496816      2.23069156
  O      1.36449348     -3.18844601     -1.92719868
  H     -1.68186248     -2.49933399      4.86230233
  H      0.49709213      1.00261420      3.66532767
  O      3.08382407     -2.63193532      0.10045062
  H     -2.01753445     -1.06547806      5.31949141
  H     -1.79595040      3.14312765     -1.37139028
  O     -3.86497938      2.73940290      3.94592813
  H      0.57324901      0.52252049     -0.27302328
  H     -1.23105109      1.81134693     -0.82410557
  O     -4.32116919     -2.79429066      2.06218482
  H     -0.48867150     -0.42671334     -0.89973690
  H     -1.22236195      0.59549465      2.37959250
  O      3.96734825     -0.07145433     -0.88592655
  H      1.60388992     -4.01062063     -2.34654414
  H     -2.58212619      0.32915234      1.64963609
  O     -5.85531045      1.73361453      2.09716389
  H      1.97805642     -3.06509442     -1.18020636
  H     -0.27455877     -2.61830725     -1.28209612
  O     -5.53007016     -0.76711447      3.45800395
  H      2.74275696     -2.46219865      0.98824185
  H     -0.91880471     -2.41918219      0.11999840
  O     -1.78461051      3.35341096      2.14518116
  H      3.54475858     -1.82754876     -0.16797363
  H      0.89485904     -2.13473383      2.23317035
  O     -3.17295372      0.18784687      4.68867526
  H     -4.62056386      2.52868364      3.38537567
  H      1.67124875     -1.37238698      3.32400805
  O      0.26084829      1.57181754      2.92183133
  H     -3.16897139      3.04778641      3.34798614
  H      2.71285233      0.50703314      0.38430900
  O     -1.90097354      2.50000344     -0.67480804
  H     -4.15055462     -2.45978954      1.17816867
  H      1.88691974     -0.25737945      1.44911437
  O     -1.89326783     -0.07393917      2.19018765
  H     -4.82873753     -2.10993900      2.52715511
  H     -3.16065672     -3.49882208      3.12602931
  O     -1.01584717     -2.20613549     -0.82214719
  H      4.76906548      0.28184137     -1.26116328
  H     -2.71370216     -4.70134909      3.99079554
  O      1.76457429     -1.76348801      2.44654602
  H      3.33108321     -0.17155043     -1.61637578
  H     -1.26009523     -3.14966646      2.45246007
  O      1.92477820      0.56494912      0.93722717
  H     -5.18792960      1.45567040      1.44730474
  H     -1.20974373     -1.66487833      2.01166907
  O     -2.43222319     -3.84823521      3.67298168
  H     -6.54487384      2.17766701      1.61052843
  H     -2.78678158     -1.94650430     -0.79466453
  O     -0.80215356     -2.53571740      1.86632345
  H     -4.80979971     -0.50448035      4.04715477
  H     -4.21454705     -2.20170775     -1.32639531
  O     -3.72410344     -1.73660887     -0.65227702
  H     -5.81738650      0.05008851      3.03522823
  H     -3.28451404      1.45599998     -0.08557864
  O     -3.88582545      0.86241179      0.38390872
  H     -0.99947240      2.90784653      2.49082423
  H     -3.88366248      0.00380242     -0.05971465
          69
 Energy    -248.32918863284715     
  O     16.22537760      9.38176353    -17.00045817
  H     15.48255169      9.97224012    -16.82092020
  H     18.10947674      5.89376016    -12.22625862
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  H     16.51045242      9.03919816    -16.13560931
  H     19.83331194      9.50915321    -16.78832470
  O     18.61710274     13.88552693    -12.14845451
  H     15.95385903      5.57031658    -12.65152979
  H     21.15812267      8.92134411    -17.33683531
  O     19.82043535      8.00405741    -14.20443241
  H     15.69931870      5.26516033    -14.14384327
  H     17.94474350      8.37207665    -14.35148617
  O     14.56414683      6.98678406    -16.93928822
  H     19.03321072     13.28346505    -11.50546829
  H     16.47877106      8.57586530    -13.81029211
  O     17.02816539     11.14520065     -9.29080640
  H     19.06065684     14.72533210    -12.06918125
  H     13.57695896     10.03482374    -15.71172852
  O     15.39906732      9.10029820    -12.45372414
  H     20.11069871      8.18051136    -15.10923141
  H     13.32285204     11.32990652    -16.52178387
  O     18.09510918     11.90386016    -14.08985329
  H     19.73964572      7.04829541    -14.09645008
  H     17.33230234      9.46679356    -10.07872298
  O     19.10946868      5.32355676    -13.89157638
  H     15.20833677      6.35468444    -16.60732574
  H     18.19343846      9.15807437    -11.31748816
  O     13.37361939      7.19977639    -12.67583319
  H     15.07885790      7.77222169    -17.16288445
  H     13.42233676      7.86476305    -15.80364440
  O     16.97077095      5.81393154    -15.63363402
  H     16.63269603     11.38408616     -8.45672936
  H     13.02108317      8.08656176    -14.32975398
  O     17.35691834      6.06713144    -11.65112848
  H     16.62474942     11.71999057     -9.96584511
  H     18.79836628     11.71106834     -9.89048516
  O     20.37127888      8.69749821    -16.84752431
  H     14.67839203      8.46043421    -12.40231910
  H     19.66924821     11.24878275    -11.06928407
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  H     16.03402740      8.92786701    -11.74595464
  H     19.69588806      9.31231816    -12.99177873
  O     13.99694356     10.84812717    -16.04999825
  H     18.32631646     12.68077147    -13.56547691
  H     18.89573450     10.64219095    -13.02686548
  O     17.52908966      8.77593002    -10.72427020
  H     17.13940179     11.77942643    -13.99559523
  H     15.70394254     12.46596964    -12.05859850
  O     13.00402802      8.49690809    -15.20073153
  H     18.37670150      5.34822433    -14.52729090
  H     16.87128367     13.32222268    -11.53955788
  O     19.54291973     11.97655190    -10.44396272
  H     19.45863858      4.43559068    -13.90900377
  H     18.94409127      7.60042249    -17.52302982
  O     19.33077518     10.01248316    -12.43469492
  H     13.98804789      6.48479400    -12.92380691
  H     17.47449397      7.93180958    -17.79148552
  O     16.10702767     12.80842432    -11.25063525
  H     12.70820225      6.81064006    -12.11530219
  H     14.86344216     11.43931546    -14.48780270
  O     18.09516146      7.19629930    -17.74275768
  H     17.40400754      6.06720076    -16.46297878
  H     15.31442139     10.68868478    -13.21035691
  O     15.36941771     11.53940854    -13.67376171
  H     16.85610804      6.65525257    -15.15985580
  H     18.55331386     11.25010419    -15.76077160
  O     18.69243766     10.78983462    -16.59952143
  H     17.50149913      6.92785722    -11.23919590
  H     17.82647689     10.46674170    -16.87520547
          69
 Energy    -248.32901913684049     
  O     12.59726276     12.57410061    -13.51817270
  H     11.74335709     12.99364980    -13.44108392
  H     15.30088156      7.25812362    -16.06427797
  O     17.92497140      7.06600323    -14.44692253
  H     12.48013706     11.82514106    -14.12619160
  H     17.69746685     11.24084815    -15.44591800
  O     19.44847583     11.19801086    -12.73905630
  H     17.30115172      6.36635323    -14.21575184
  H     16.62271991     10.46841058    -14.61841673
  O     16.96333088     14.28334435    -14.18992647
  H     17.65533655      7.38677258    -15.31481057
  H     14.02721560      8.78831870    -18.33930539
  O     15.88290952      5.17432433    -13.79047656
  H     19.35847641     10.24463620    -12.63820824
  H     14.68280073      9.04867490    -19.71613498
  O     15.92110777     10.85103107     -9.55563841
  H     19.04596159     11.60415089    -11.95754270
  H     15.45456878     10.94799095    -12.62663103
  O     14.79682518      6.68949219    -11.82926619
  H     17.65610581     13.71428580    -14.54205215
  H     16.17758617      9.58693428    -12.41283774
  O     14.64359047     12.24060312    -11.59928985
  H     16.15299516     14.10153986    -14.68901355
  H     13.26149367     10.72721366    -15.85319127
  O     12.73315277      8.24527293    -17.27572375
  H     15.49616395      5.64388799    -13.02924030
  H     12.82732149      9.76119345    -14.70178502
  O     16.70927375      8.54483714    -10.98607286
  H     15.89532357      4.24777017    -13.56786851
  H     19.93207893      7.90820194    -12.19420607
  O     16.67694238      8.20698768    -16.78905513
  H     15.36360213     11.31246306    -10.20398506
  H     18.71912280      7.92810970    -13.15173597
  O     14.54816318      6.78548808    -15.67878014
  H     15.47234580     10.91264319     -8.71577777
  H     16.36104655     15.31373712    -11.32463741
  O     16.97122671     10.60993950    -15.51130257
  H     14.20490441      7.28017672    -12.31162417
  H     16.63572079     14.40192229    -12.54611200
  O     14.82444134      9.13653989    -18.77750317
  H     15.46355550      7.26088847    -11.42299174
  H     19.21004381     12.02509926    -14.20428526
  O     15.79961928     10.17027662    -13.08320714
  H     15.18369826     13.04425554    -11.61680557
  H     19.80798037     12.70513737    -15.46280720
  O     12.51516183     10.46219484    -15.29441046
  H     13.88477371     12.37849569    -12.17999062
  H     17.49595502     11.84209043    -10.10752088
  O     19.12045843      8.37266154    -12.38370157
  H     13.20308878      7.60256305    -16.72538874
  H     17.64060483     13.14209710    -10.90741247
  O     16.39226521     14.40247066    -11.60068680
  H     12.39903822      8.92197838    -16.67766545
  H     15.50242222     11.10323849    -16.40117574
  O     18.98556678     12.45996586    -15.04890523
  H     16.58662143      9.28165500    -10.37456560
  H     14.71403500     10.69284272    -17.66145043
  O     18.13336240     12.37056686    -10.59995267
  H     17.62772362      8.51831392    -11.28646871
  H     13.87782052     13.41519276    -14.75440731
  O     14.68148582     11.26860440    -16.88981332
  H     16.85880471      9.05012009    -16.34461660
  H     14.55353338     12.95562856    -16.05604826
  O     14.55438392     13.65968421    -15.39476873
  H     16.20042397      8.43768621    -17.59548536
  H     13.94915068      7.90288471    -14.38070510
  O     13.65554334      8.52457209    -13.69878926
  H     14.91939674      6.08487188    -15.12932545
  H     14.40815985      9.10349667    -13.50604363
          69
 Energy    -248.32900658228698     
  O      1.00176428      3.47074085      4.76386870
  H      1.59561743      2.98826257      5.35356309
  H      0.54081453      0.62585359     10.20060003
  O     -0.26999752      4.94260909      7.97010445
  H      0.36944656      2.84139689      4.40032424
  H      3.79116221      5.87532705      5.21460358
  O      4.45095989      5.43577861      3.47950891
  H      0.03637068      5.53511423      7.27100311
  H      2.45934222      6.17523713      5.93424460
  O      1.48038987      2.06709583      1.69440051
  H     -1.02068283      4.47669728      7.58109266
  H      4.57517048      5.39078108      8.91501481
  O     -0.69191437      1.66698369      3.33379452
  H      4.69887072      4.51203035      3.67129611
  H      3.87655161      5.24199782      7.54240209
  O      0.63983824      6.06824099      5.58746081
  H      5.21953569      5.85246452      3.09952290
  H      2.23274589      0.51006039      5.85171832
  O      5.05176643      2.89099505      4.09512341
  H      1.69347954      3.00711298      1.74980318
  H      1.20711006     -0.48827050      5.23418017
  O     -1.08689886      1.16063747      7.19610419
  H      2.19676760      1.60282933      2.14528100
  H     -1.88035525      2.65366219      6.79515375
  O     -0.42587688      6.23807935      2.94625409
  H     -0.02208009      1.77937569      2.64269096
  H     -3.19915063      3.44622212      6.92536867
  O      1.73169652      3.33869205      8.88541232
  H     -1.28838923      2.43033054      3.33245333
  H      2.16941126      2.48362008      7.33515045
  O      1.89438146      4.77117120      2.52045216
  H      0.21560005      6.42729196      4.80195920
  H      3.48693660      2.25874597      6.55091932
  O      0.83308025      0.78665160      9.30616997
  H      0.72336567      5.11689651      5.40435308
  H      4.47535301     -0.13675099      8.31579418
  O      3.40142023      6.02186831      6.08411174
  H      4.54849902      2.12513105      3.79678475
  H      5.93608434     -0.30803512      8.76059976
  O      4.13776224      4.75999764      8.34928005
  H      5.24872787      2.75626624      5.03245857
  H      2.16685259     -0.37377025      8.53662492
  O      2.14803520     -0.34540087      5.39836948
  H     -0.93475737      0.51780421      6.49305942
  H      2.64338013     -0.92626633      7.17930372
  O     -2.30615339      3.50623469      6.59357018
  H     -0.46009034      0.96308067      7.90067294
  H     -2.15792728      3.93736827      4.71929366
  O      2.53315811      2.11071670      6.52253809
  H      0.38838141      5.78329106      2.67275201
  H     -1.60695143      4.77427053      3.53290708
  O      5.33113267      0.31918006      8.37370460
  H     -0.66904865      6.81572454      2.22721222
  H     -0.68794394      0.26533233      4.31694811
  O      2.86632222     -0.89044027      8.11766329
  H      1.00660251      3.93045659      8.62595178
  H     -1.17602622     -1.17669844      4.60591450
  O     -2.09187484      3.97165440      3.75577572
  H      2.55342011      3.84259122      8.84982352
  H      3.04753997      0.22513388      3.94205221
  O     -0.61032514     -0.48415018      4.93613568
  H      2.78154125      5.10088491      2.70743593
  H      3.99324896     -0.05654645      2.75755582
  O      3.50500473      0.63939490      3.19289834
  H      1.63364594      4.26881149      3.31056311
  H      5.36874981      1.81152883      7.41770189
  O      5.24102551      2.59912055      6.86597330
  H      1.17056108      1.69825991      9.28525831
  H      5.01809417      3.33742894      7.44671415
          69
 Energy    -248.32879856382203     
  O     16.28682362      8.42911257    -17.35147047
  H     15.44878825      8.35083170    -16.88423786
  H     16.77212893      2.39218747    -15.85933673
  O     13.75966701      2.98943378    -15.78324444
  H     16.90798408      8.81600588    -16.72305704
  H     21.09796998      3.23292054    -14.75084889
  O     17.75680308      6.16076952    -11.64599546
  H     14.62740007      2.70405208    -16.12480415
  H     20.02516575      4.17232366    -15.35306376
  O     19.26992217      5.13178599    -16.65915723
  H     13.14172669      2.29138701    -15.98248644
  H     16.07707494      5.39732497    -15.99872879
  O     17.84331415      3.77529758    -18.65897981
  H     17.33803309      5.30119591    -11.79135141
  H     16.96466692      4.56048987    -15.01576341
  O     13.50250299      7.33939038    -10.65412588
  H     17.42431792      6.75424885    -12.33553908
  H     12.91974561      8.47218897    -16.13761197
  O     14.02121222      4.35049709    -13.31697257
  H     18.98498118      4.63668696    -17.43619679
  H     13.70685213      7.69316028    -15.05875609
  O     16.71946397      7.62328004    -13.76043604
  H     18.44592278      5.40441320    -16.22694636
  H     14.34643047      3.90787938     -9.78448390
  O     17.57796652      2.93613359    -14.30756197
  H     18.03236436      3.42925185    -19.52694075
  H     15.03940643      3.08410149     -8.67101266
  O     12.96956106      4.51313539    -10.70835053
  H     17.35761742      4.61116649    -18.79251952
  H     14.01773766      4.62525533    -16.63416017
  O     20.04889982      7.57814174    -15.40835519
  H     14.36153898      7.10312821    -10.25841865
  H     14.02768588      6.19771056    -16.69208139
  O     16.24017889      2.35747360    -16.66770260
  H     13.12393305      8.01807611    -10.10191248
  H     20.29710364      5.23712818    -13.39964587
  O     20.26956453      3.66531878    -14.55929394
  H     14.02008202      5.30255892    -13.48506732
  H     19.47672050      6.13344281    -12.44965455
  O     16.81356689      5.44364342    -15.37675739
  H     13.88902865      3.88756657    -14.15239025
  H     16.09832649      3.56598557    -11.04985434
  O     13.64910860      7.87015082    -16.01218386
  H     17.16293675      8.36017454    -14.19613753
  H     15.54912621      3.93427497    -12.44853793
  O     15.20899699      3.68827378     -9.38835297
  H     16.80243776      6.85946865    -14.35551188
  H     16.60396484      6.49919591    -10.20495120
  O     14.45958786      5.39441034    -17.01065178
  H     17.23886459      3.06672744    -13.41142705
  H     15.72006260      5.55994355     -9.36358971
  O     20.23569897      6.13188188    -13.04640905
  H     18.53323949      3.07730467    -14.28824898
  H     16.55259102      6.92979009    -18.46271277
  O     16.36120491      3.71825823    -11.96516731
  H     12.97304353      5.47521595    -10.62941579
  H     15.62026180      5.73033398    -18.38362797
  O     15.84750792      6.48587364     -9.60315312
  H     13.17930616      4.33341865    -11.63522337
  H     15.00531746      7.39980728    -13.45597351
  O     16.41650961      6.04740348    -18.83339921
  H     19.94949706      6.84300547    -16.02290132
  H     13.79539108      7.30740715    -12.47708485
  O     14.06303279      7.17404208    -13.39462131
  H     20.17639520      7.17469905    -14.53605627
  H     18.85336428      8.80530251    -15.41334101
  O     18.10467153      9.42893481    -15.36479874
  H     16.76070748      2.78480684    -17.35727619
  H     18.47890985     10.30427219    -15.32503786
          69
 Energy    -248.32876593592150     
  O      1.76388072     -0.38513213      5.01545923
  H      2.49214946     -0.29948872      5.62507824
  H     -5.45916741     -2.42014929      4.67439390
  O      1.29765498     -0.12682859     -2.71879463
  H      1.20858929      0.40773683      5.12655388
  H     -3.21193624      3.89939099      0.83407186
  O     -0.40047882     -2.23192296      5.22711929
  H      1.39307263     -1.07788495     -2.58125135
  H     -3.07795905      2.37842032      1.05803328
  O     -0.89736124      0.32515459     -0.91935613
  H      0.45071356      0.11284767     -2.32219276
  H     -1.92764233     -1.33271372      5.43960662
  O      1.67397449     -2.83081840     -1.79743868
  H     -0.44317972     -2.57934565      4.32930844
  H     -2.66360395      0.01616496      5.78889693
  O      3.30148092     -1.64146306      0.02083797
  H      0.37875655     -1.66192766      5.24958008
  H      0.19747380      2.15732956      1.94913749
  O     -3.91542680      2.46782812      4.01930871
  H     -0.22496862      0.67045638     -0.31560406
  H     -1.16054021      2.89614570      2.18512323
  O     -3.20304515     -3.53225594      2.25036123
  H     -0.88243038     -0.63928818     -0.81608845
  H     -2.13588611     -0.20006054      3.66630388
  O      0.15826354      1.77155263      5.23901497
  H      2.30259672     -2.48329165     -1.13964668
  H     -1.23999803      0.81160774      2.88363293
  O      3.18569691      1.00027491     -1.11792542
  H      2.08783854     -3.58594379     -2.20660397
  H     -0.66603906     -2.55906215      0.42541881
  O     -5.25937586      0.43817072      2.68807944
  H      2.88325619     -1.54452398      0.88678482
  H      0.03263779     -2.68664178     -0.96461565
  O     -4.83935924     -2.03058498      4.06226735
  H      3.44018525     -0.74629950     -0.31216390
  H      0.98662662     -1.76178198      2.29901807
  O     -2.84940171      3.24559388      1.42724367
  H     -3.55913885      2.92321526      3.25070647
  H      1.85248500     -0.88494247      3.23963983
  O     -2.74491756     -0.82408571      5.32202706
  H     -4.47890040      1.76738948      3.65730178
  H     -3.03257644      2.10603395      5.45380641
  O     -0.41017066      2.48343107      2.62913198
  H     -3.46575035     -3.19941720      1.37947824
  H     -2.85798740      2.28020682      6.98255071
  O     -1.72163381     -0.02123977      2.81280140
  H     -3.80825779     -3.12353066      2.87961536
  H      1.90488582      1.24649517      0.20689144
  O     -0.78019923     -2.41173775     -0.52206787
  H      0.03743324      2.18147882      4.37076425
  H      1.35919007      0.35218010      1.35096176
  O      1.73802672     -1.15443951      2.31878535
  H     -0.70108526      1.81611969      5.67394357
  H     -0.99648677     -1.60057823      2.45639505
  O     -2.51595594      1.81071644      6.22671382
  H      3.80408564      1.55758857     -1.58187805
  H     -1.51822332     -3.04642676      2.32873518
  O      1.16936280      1.14107452      0.82280098
  H      2.56214880      0.65328344     -1.78142141
  H     -2.69475636     -2.41314800     -0.51221615
  O     -0.70401083     -2.51705341      2.32087878
  H     -5.20696795     -0.44990366      3.06407801
  H     -3.66248175     -1.31881354     -0.04487762
  O     -3.60113331     -2.26488816     -0.20952038
  H     -4.82360050      0.39778375      1.83111969
  H     -2.77379638      0.29078255      1.39928410
  O     -3.21025606      0.57985628      0.58045614
  H     -4.13121090     -1.62999829      4.59574554
  H     -2.51576251      0.57627654     -0.09480176
          69
 Energy    -248.32870249461746     
  O     13.12854155     12.41985990    -16.46546801
  H     13.58369171     11.99980890    -17.20509622
  H     15.76138698     10.59160931    -17.12387298
  O     19.58967748      9.05418685    -12.85846525
  H     13.78399827     12.48219416    -15.75751391
  H     15.39642799      8.30735276    -14.08005065
  O     13.27768354      4.90536723    -14.31652804
  H     20.51371081      9.28203770    -12.80951979
  H     14.89828710      7.73380992    -12.73164809
  O     15.75338993      8.92007203     -9.72185206
  H     19.31440476      9.18836865    -13.78424718
  H     11.64497089     11.53833486    -16.18788931
  O     14.09608333      6.23119008    -12.04618915
  H     13.03138282      5.66497122    -14.86869324
  H     10.10202966     11.48049513    -16.28306055
  O     13.61942736     10.61293692    -12.67934597
  H     12.67385473      4.20496314    -14.55060926
  H     18.75806160      7.33322361    -12.64453994
  O     12.32661990      9.13675938    -17.78778530
  H     15.97312958      7.99573621     -9.88734572
  H     17.64441529      6.45996945    -12.01075300
  O     16.37349836      6.24031690    -10.57432947
  H     16.33318522      9.42589599    -10.30749886
  H     11.65664042      8.22772072    -12.34129966
  O     15.45798208      7.86528194    -15.82684517
  H     13.29329399      6.70619327    -11.78252412
  H     12.26044039      8.52985877    -10.94868534
  O     12.79018725      7.25194212    -15.70584991
  H     13.86568775      5.67584219    -12.80355843
  H     17.34511079     13.28658123    -11.95954093
  O     18.68207355      9.21114305    -15.40316579
  H     14.21777292      9.86915164    -12.85906861
  H     17.13384558     11.80633147    -12.31821696
  O     16.27745762     10.45140986    -16.31893734
  H     13.43472382     10.57640347    -11.73354892
  H     18.18768231      5.66618737    -15.80799379
  O     15.29618469      8.51188101    -13.14261468
  H     11.71176105      9.71290974    -17.31635487
  H     17.93469402      6.41169658    -14.47584986
  O     10.87366323     10.94778190    -16.11106175
  H     12.44302028      8.36592468    -17.21863632
  H     18.09480433      9.75799867    -12.08437771
  O     18.24373360      6.52491525    -12.76286349
  H     15.53774512      6.13756688    -11.06314280
  H     16.58536593      9.50070562    -12.32373366
  O     11.93902961      7.81668649    -11.51456506
  H     16.45078808      5.47963284    -10.00338318
  H     14.48911468     10.84541494    -19.35787410
  O     17.08283623     12.70882707    -12.67159458
  H     16.23320437      7.29008049    -15.78555054
  H     13.71351347     10.11049902    -18.23988740
  O     17.81993892      6.46561868    -15.44173858
  H     15.75257212      8.75352429    -16.07375589
  H     12.94693029     10.29325021     -9.17138633
  O     17.21082662     10.05416939    -11.83200117
  H     12.40194343      7.88346428    -15.08352283
  H     14.11673421      9.53508263     -9.83971984
  O     14.43272064     10.74466623    -18.41150557
  H     13.73541286      7.45858747    -15.78296879
  H     14.48394201     11.69516225    -13.83201223
  O     13.22652447      9.89890115     -9.99297641
  H     17.95515095      9.73908239    -15.75657123
  H     15.78964727     12.50969754    -13.92080814
  O     15.06438264     12.15671484    -14.45420436
  H     18.45689681      8.28782191    -15.57276070
  H     12.30202633      9.76311881    -13.58161133
  O     11.64854074      9.20539557    -14.02829494
  H     15.90982755     11.04556785    -15.64939517
  H     11.23974480      9.76899814    -14.69678456
          69
 Energy    -248.32864692449721     
  O     15.42465020     10.52348902    -15.23806309
  H     16.05056957     10.09470130    -15.83901137
  H     15.24782597      3.63405270    -17.19784746
  O     13.90603771      3.96619637    -16.16737438
  H     14.65468266      9.94657930    -15.17101482
  H     19.99619980      6.52695012    -15.38541566
  O     18.08849409      6.11530929    -11.92296388
  H     13.95489504      3.96850375    -15.20329263
  H     19.19380232      5.44354278    -16.11924812
  O     18.67966886      7.42085331    -18.43239468
  H     13.78344490      4.89682973    -16.40855994
  H     17.85320617      8.68774414    -17.31330093
  O     15.98720431      6.37328464    -18.59535939
  H     17.44868443      6.81629426    -12.12675182
  H     17.08146219      8.22265589    -16.07202174
  O     13.83673345      5.86668828    -10.25702106
  H     18.89232509      6.35304668    -12.40029797
  H     16.95908920      5.99688886    -15.35580587
  O     14.18492075      4.44013565    -13.41548195
  H     19.31979459      7.49422061    -19.13479487
  H     15.58391611      6.66017490    -15.63634269
  O     16.33840949      8.01723379    -12.75591925
  H     19.13210554      6.99025997    -17.68457011
  H     13.29219621      8.17990585    -14.13277025
  O     17.80706722      4.37521149    -15.73011987
  H     16.06625525      5.42441161    -18.43507135
  H     12.30453368      9.09375897    -14.88580611
  O     13.40955890      3.14019180    -11.03606250
  H     16.88685880      6.71973598    -18.60474664
  H     16.46841065      2.94247926    -11.53006914
  O     19.10591012      9.51183858    -14.32816013
  H     14.76582327      5.80747706    -10.00445993
  H     16.31720598      3.61072189    -10.15900188
  O     16.05010740      3.58846260    -17.75033644
  H     13.55291129      4.95516060    -10.40070173
  H     14.63306757      6.80112275    -17.43897669
  O     19.78319709      6.19901672    -16.26486627
  H     14.01082151      5.37708193    -13.25967240
  H     13.72765104      7.50499472    -16.33047479
  O     17.40647988      9.01584715    -16.52480950
  H     13.80700728      3.95578271    -12.67037150
  H     21.09068769      7.29472038    -13.30293274
  O     16.42929843      6.78481221    -15.18528691
  H     16.42088964      7.65417664    -13.65372488
  H     19.81421555      8.02332096    -13.78105478
  O     13.19008623      8.73849682    -14.92115563
  H     16.54593894      8.95836701    -12.78333574
  H     15.97887882      4.09360730    -13.29024246
  O     16.07992596      2.81609345    -10.65422240
  H     17.54235682      3.99796245    -14.88020324
  H     17.34881272      4.61354032    -12.75773139
  O     14.05820367      6.66722967    -16.66871758
  H     17.24823211      4.00039915    -16.42298067
  H     17.25327196      5.67111505    -10.37968006
  O     20.17688431      7.15190487    -13.53827564
  H     14.33748221      2.91020586    -10.84870689
  H     17.10825061      5.71440036     -8.84465626
  O     16.91040586      3.85532084    -13.16805107
  H     12.88050804      2.38807062    -10.78617314
  H     14.64780420      7.51882109    -12.66434029
  O     16.67267178      5.42264878     -9.64228422
  H     18.51229180     10.04288943    -13.78497907
  H     13.59551110      6.80100475    -11.80442874
  O     13.74473242      7.16656702    -12.68844438
  H     18.64545498      9.40227989    -15.17112568
  H     16.73863740     11.54773621    -12.50719114
  O     16.91059439     10.75198372    -13.00189822
  H     15.95727170      2.82131645    -18.30831400
  H     16.34715210     10.78386461    -13.79731609
          69
 Energy    -248.32832219192181     
  O     11.50996503     12.38381224    -14.70182896
  H     11.75233231     11.89719869    -13.89741423
  H     17.51583846     11.56244751    -16.45121223
  O     17.14204785     11.39707708    -12.34300987
  H     10.58280097     12.21260891    -14.84602203
  H     12.80731907      7.83437568    -14.70960341
  O     12.25170642      8.20165911    -13.07969522
  H     17.17958749     10.65850761    -11.72205665
  H     12.63958794      6.94336744    -15.95988999
  O     16.21155357      6.87152364    -11.84048276
  H     17.87262457     11.26876808    -12.96115993
  H     15.68533573     10.89869333    -13.31725409
  O     13.78274219      7.52135689    -10.76370197
  H     12.13290389      9.14360287    -12.90000128
  H     14.71976322     11.02939719    -14.54760741
  O     18.25928160      5.11117309    -12.20931378
  H     12.73409267      7.86817184    -12.31307298
  H     14.00097938      9.01977687    -16.68312148
  O     13.97823908     12.08178693    -15.87111228
  H     16.03352847      7.17466323    -12.74327564
  H     14.21085070     10.54780822    -16.83264995
  O     18.14808031      8.50813583    -15.38214881
  H     16.87257384      6.16737412    -11.89692890
  H     14.41632768      9.26100213    -10.09188427
  O     17.38299386      9.13916786    -10.69941794
  H     13.51831290      6.89812554    -10.09072951
  H     14.51163062     10.80422846     -9.98078520
  O     17.14718605     10.02464035    -17.52786035
  H     14.64320497      7.21644337    -11.09895769
  H     20.62005008      9.33852769    -10.95957966
  O     19.69917326      7.04444312    -13.50002876
  H     18.82769928      5.73344260    -12.69543632
  H     19.10572341      9.20950292    -11.23011967
  O     17.73957133     12.25487551    -15.81713805
  H     18.65181406      4.25043651    -12.32232353
  H     16.04000803     14.88618265    -15.42788573
  O     13.18997676      7.62301055    -15.57997417
  H     13.08298456     12.26313599    -15.54907825
  H     16.55424669     13.43241219    -15.32287452
  O     14.95052858     10.48202743    -13.78555385
  H     14.52405929     12.85407986    -15.67845838
  H     15.45633028     13.83196700    -13.15636673
  O     14.48256585      9.68712952    -17.18371449
  H     17.30396464      8.22094824    -15.00420958
  H     16.14961046     12.90300854    -12.15512336
  O     14.96649548      9.98272495     -9.76377690
  H     17.92333308      8.94589564    -16.21251676
  H     14.26126432     12.90631713    -11.12524391
  O     19.97722125      9.24687454    -11.65850633
  H     16.62521791      9.48623143    -10.20391188
  H     13.38917575     13.08895399     -9.86198832
  O     15.82550523     14.02831545    -15.07042881
  H     17.07291637      8.31489332    -11.09952583
  H     18.88720581      9.91524749    -14.49835842
  O     15.44273845     13.56130362    -12.23223752
  H     16.19214385      9.86061089    -17.42945541
  H     19.68708126     10.30032934    -13.23653893
  O     13.65531899     12.44780647    -10.51546223
  H     17.33061130     10.01611115    -18.46361896
  H     13.36763146     10.71575439    -12.96003239
  O     19.24389935     10.67234464    -14.00861733
  H     19.26264637      7.46209989    -14.25350813
  H     12.71880858     11.46461616    -11.78291679
  O     12.50996639     10.93659767    -12.56261535
  H     19.89649672      7.75413305    -12.87714858
  H     15.43274232      8.82705578    -14.09732135
  O     15.66438160      7.91007172    -14.31724465
  H     18.39920110     11.86820451    -15.22864223
  H     14.91674437      7.57985174    -14.82781791
          69
 Energy    -248.32830841304963     
  O     -3.01174093     -2.42630230     -1.38521946
  H     -3.28040158     -3.05297767     -2.05270664
  H     -3.26199679     -4.35267372      4.21618731
  O     -1.91641489     -0.72524053      1.97415759
  H     -3.05758477     -2.89405762     -0.53304185
  H     -3.38869937     -0.79464431      6.08415070
  O     -5.62383304     -3.35552401      2.59604709
  H     -1.41171525     -1.48007046      1.64799719
  H     -2.52850581      0.20386242      5.28492182
  O      1.81004941     -2.97362217      4.26112051
  H     -2.86079905     -0.91234751      1.90618385
  H     -1.29379626     -1.64709495     -1.47156307
  O     -3.22203199     -3.66970414      1.03555461
  H     -6.43543841     -3.85373990      2.56143236
  H     -0.55864766     -0.35577677     -1.05340258
  O      0.26337301     -2.33393044      1.05848260
  H     -5.14623823     -3.64769583      3.39342643
  H      0.66220744      2.39651459      2.29825510
  O     -2.96124372     -2.54238712      6.73843999
  H      1.64630532     -3.66224325      3.60498195
  H      0.51332755      1.72158452      0.93358503
  O     -4.73409906     -0.79530325      1.96308317
  H      1.96212658     -2.16052925      3.76171378
  H     -3.81871523      2.29961879      2.92278586
  O     -1.00022268      1.11697478      0.03064410
  H     -4.09610726     -3.63375429      1.44121292
  H     -3.26812529      2.71325117      1.53488960
  O     -0.90590512      0.22563369      4.29090267
  H     -2.61114596     -3.85278936      1.76017445
  H      0.65099510     -3.90052265      1.67815706
  O      1.49912904     -0.51591799      2.80735269
  H      0.14874114     -2.00760266      0.15391793
  H      1.27621037     -5.31355149      1.56032188
  O     -4.09560402     -4.15416241      4.66583656
  H      0.75940860     -1.67543071      1.56418379
  H     -5.83657835      1.59841948      4.30448872
  O     -3.40904748      0.06930108      5.65677561
  H     -2.08301058     -2.55246220      6.31937129
  H     -4.53052985      0.81058934      4.57464020
  O     -0.41490983     -1.26482953     -1.35052728
  H     -2.82996223     -2.78101553      7.65291373
  H     -3.94681954     -0.79574867     -1.04435148
  O      1.16416797      1.93309760      1.61779739
  H     -5.13298558     -1.63192301      2.23315667
  H     -4.65966725     -0.29783829      0.22251090
  O     -3.11015606      2.78427372      2.48432182
  H     -4.94647180     -0.12818848      2.62767012
  H     -1.53808925      2.91801234      3.20476349
  O      0.85110829     -4.71838525      2.17123944
  H     -1.73757488      1.68846992     -0.21141383
  H     -0.59754937      3.73609582      4.12264119
  O     -5.07796773      1.21177241      3.87552754
  H     -1.34095245      0.52874360      0.72043084
  H     -0.82225169     -4.56587026      2.97688769
  O     -4.42245412     -0.04031240     -0.68021930
  H     -1.31526786     -0.08398863      3.46391832
  H     -1.33811314     -3.49413448      3.95438591
  O     -0.67192339      2.91042294      3.65188163
  H     -0.74745414      1.17366466      4.19261596
  H     -0.71434559     -1.42949753      5.03244483
  O     -1.62964926     -4.17665271      3.33542805
  H      0.78976769     -0.32482392      3.43129858
  H      0.25630835     -2.63950109      5.09026183
  O     -0.64835437     -2.35806289      5.29239184
  H      1.60839871      0.31338026      2.31812075
  H     -3.79419005      3.05001688     -0.98846524
  O     -3.45261738      2.45284870     -0.32886632
  H     -3.85463263     -3.63217364      5.43962383
  H     -3.83971073      1.57735467     -0.51296487
          69
 Energy    -248.32821186939543     
  O      1.14412232     -1.19674517      5.33426288
  H      0.35800047     -1.77146223      5.31013726
  H     -4.66236703     -1.46106364      1.97887848
  O      1.87505990      0.85058000     -2.33149529
  H      1.60837786     -1.40326946      6.14178431
  H     -2.51396606      2.74249924      2.37549006
  O     -1.15753322     -2.65007272      5.23352781
  H      2.03914381     -0.10081168     -2.35898431
  H     -3.40940777      2.57570867      1.13995320
  O     -0.50943744      0.80065673     -0.75065599
  H      0.98764185      0.94913872     -1.96323944
  H     -2.57884115     -0.63699640      3.81319255
  O      2.34298300     -1.94499479     -1.88942407
  H     -1.92230882     -2.06175653      5.17425283
  H     -3.69459541      0.07238428      4.61801837
  O      3.64142265     -1.08228858      0.34088454
  H     -1.30124749     -3.35330811      4.59050259
  H     -0.01029917      2.08505983      2.37471115
  O     -4.65786007      1.48384805      4.18184367
  H      0.06342472      1.00741825      0.00062208
  H     -0.72530245      1.90972546      3.75918698
  O     -3.66809441     -4.34534255      1.58123462
  H     -0.53057624     -0.16360762     -0.82968829
  H     -3.22726576      2.36137974     -1.45972654
  O     -0.71313034      0.99402002      5.30362079
  H      2.88783937     -2.55917255     -2.37407301
  H     -2.13884008      1.55150608     -0.72231736
  O      3.53172238      1.70534323     -0.34715906
  H      2.83249000     -1.71234577     -1.07997496
  H     -1.48725392      0.52080508      2.36163616
  O     -4.00355149     -0.48370897      0.53136578
  H      3.77455507     -0.14082497      0.17328348
  H     -2.54851116     -0.36734670      1.62467401
  O     -4.71513857     -2.12302720      2.68389287
  H      3.20672792     -1.14047121      1.20156613
  H      0.56566031     -2.07641872     -1.35007395
  O     -3.43705242      2.77151807      2.08186029
  H     -5.35363643      2.03922447      4.52259413
  H     -0.19254320     -2.24779229     -0.00610998
  O     -3.07807378     -0.67662304      4.64499479
  H     -4.28949811      1.95627839      3.41631408
  H      1.84880495     -1.02179073      3.59529760
  O     -0.84759282      2.19916705      2.84209598
  H     -4.08365496     -3.56950816      2.00145530
  H      1.30488316     -1.62411032      2.28947502
  O     -3.05082600      1.88071060     -0.65490781
  H     -4.37836085     -4.93045719      1.32972335
  H      2.09583248      1.62053848      0.84948730
  O     -1.78743479     -0.38611456      2.22086610
  H     -0.01797921      0.32729941      5.36323484
  H      1.54644656      0.55587055      1.83448950
  O     -0.30214464     -1.99656446     -0.93617478
  H     -1.54510675      0.50890738      5.32688920
  H     -2.22396625     -4.57076717      2.59379942
  O      1.98408007     -1.02840783      2.64035416
  H      4.13446905      2.39538636     -0.60927849
  H     -1.18576996     -5.51747937      3.24023572
  O      1.31237032      1.35866299      1.34720570
  H      2.99665793      1.48226361     -1.13001807
  H     -0.75028250     -1.75797840      1.96102844
  O     -1.41336105     -4.59763047      3.12852216
  H     -3.72720938     -1.21556497     -0.04333525
  H     -0.48676329     -3.27501021      2.21125169
  O     -0.15400021     -2.49715652      1.75159692
  H     -3.85561007      0.33875609      0.05139802
  H     -3.09310077     -3.33852016     -0.06968300
  O     -3.03205035     -2.68398240     -0.77389070
  H     -4.35314723     -1.70428701      3.47086961
  H     -2.09179125     -2.54076743     -0.94797234
          69
 Ord_Energy   -248.328156    
 O   -11.0205927     -0.455516160       5.02196121    
 H   -11.8936472     -0.549056590       5.39380884    
 H   -10.4931355      -1.20624948       5.35218000    
 O   -8.97021294       1.29106152       6.05104446    
 H   -9.73720551      0.849932134       5.66692448    
 H   -8.56105232       1.80806124       5.34456921    
 O   -4.96157742       3.33384204       4.09192038    
 H   -4.46472073       3.98761344       4.57562017    
 H   -4.63046885       2.46036839       4.37320375    
 O   -7.55367899     -0.635944307       7.30887842    
 H   -8.03118801      0.114862688       6.91020298    
 H   -7.43897533     -0.434761226       8.23331261    
 O   -6.10940790     -0.839855671      0.723432660    
 H   -6.32123661      -1.77515090      0.603033125    
 H   -6.67920351     -0.349480927      0.118781447    
 O   -4.13832903      0.829202354       4.59910345    
 H   -3.91311073      0.504607081       3.71529579    
 H   -4.67308855      0.132910579       4.99301434    
 O   -7.39273930      -3.68200278       4.34452295    
 H   -6.80440617      -4.15994644       3.74630666    
 H   -6.87611961      -2.92897606       4.65986013    
 O   -7.00403357      -3.44546223      0.279295385    
 H   -7.25448799      -3.14552593     -0.604123235    
 H   -7.80648232      -3.43078947      0.828699470    
 O   -10.2905092       1.18515110      0.446808666    
 H   -9.79775238       1.94086981      0.817892015    
 H   -11.0743570       1.53818905       3.46812718E-02
 O   -7.74967813      -2.11976767      -2.05941844    
 H   -7.63763094      -2.11862731      -3.00714231    
 H   -7.83864498      -1.19026983      -1.80128884    
 O   -7.32409048     -0.188376248       3.10617685    
 H   -8.24690628     -0.419362992       2.93516707    
 H   -6.83228302     -0.386639208       2.29846048    
 O   -8.72471142       3.14507914       1.39470470    
 H   -7.95558453       3.17290020      0.812898934    
 H   -8.38785076       3.00907445       2.29084015    
 O   -9.37364864      -2.39690423       5.96923637    
 H   -8.76654243      -1.91473913       6.54512405    
 H   -8.82774830      -2.99977612       5.45069885    
 O   -3.74685216     -0.224776089       2.01341438    
 H   -4.51745749     -0.403628528       1.45429790    
 H   -3.59098816      -1.06306827       2.47339845    
 O   -9.05328560      -3.32056975       2.04881525    
 H   -9.48559952      -2.46011090       2.12774134    
 H   -8.59416103      -3.46141815       2.88629746    
 O   -7.61398554       2.44922829       3.87029624    
 H   -6.75075340       2.86089945       4.00109196    
 H   -7.44749880       1.53886974       3.57945943    
 O   -5.60053110      -4.62522984       2.32700133    
 H   -6.03419447      -4.26371002       1.53583586    
 H   -5.31521988      -5.50733376       2.10108328    
 O   -6.51982784       2.86154556     -0.422280878    
 H   -5.80021858       2.68890429      0.211353585    
 H   -6.20597601       3.54538536      -1.00827491    
 O   -5.94790030      -1.35180962       5.15427685    
 H   -6.39963102      -1.13362586       5.97993040    
 H   -6.43666029     -0.915392876       4.43543959    
 O   -7.90962029      0.489144146     -0.975497425    
 H   -8.76019287      0.633680046     -0.541923285    
 H   -7.42442083       1.32362986     -0.913515508    
 O   -9.96343231     -0.720956504       2.46546173    
 H   -10.4638309     -0.545438945       3.27287054    
 H   -10.1965246      -6.59572110E-02   1.79625487    
 O   -3.92597699      -2.57331133       3.46602774    
 H   -4.50526047      -2.24047136       4.16206312    
 H   -4.40345001      -3.30469418       3.05642557    
 O   -4.57714033       2.43225455       1.39776003    
 H   -4.14280605       1.58318710       1.54673278    
 H   -4.68158150       2.83871198       2.26633906    
          69
 Energy    -248.32801807653578     
  O     16.44743932     11.30194943    -15.91629308
  H     16.59293374     12.24389141    -15.95670060
  H     19.31601414      4.24427941    -17.16437363
  O     12.86336709      5.85748238    -14.74288675
  H     15.58509348     11.16898282    -15.48099079
  H     17.23379791      7.53161670    -16.99315358
  O     18.81610756      7.53026266    -12.71515273
  H     12.03729471      5.39283234    -14.64056872
  H     18.30844963      6.62004471    -17.63248247
  O     15.27220969      6.09005613    -18.62136004
  H     13.41153184      5.33034771    -15.35302165
  H     16.67819855      8.22168033    -14.91211264
  O     15.94786973      9.29665031     -9.62240991
  H     18.37635725      8.31688814    -13.06696767
  H     15.35865003      7.83781394    -15.65130607
  O     14.46832436      6.73945746    -12.54818989
  H     19.44083139      7.24619807    -13.39779505
  H     14.32359219     10.42339800    -13.71976934
  O     17.31358120      9.55284083    -13.84389355
  H     16.15907377      6.45152764    -18.52764913
  H     13.81645013      9.92254320    -15.08213399
  O     16.92892837      4.93759390    -15.08704803
  H     14.69705318      6.85443715    -18.75191850
  H     16.89499516      4.57022354     -8.91746361
  O     14.64096694      6.73917350     -9.72047392
  H     16.07694387      9.91522745     -8.90881211
  H     16.05296927      5.70163593     -9.55729335
  O     19.89497780      9.03618039    -16.71177917
  H     16.79091346      8.82213915     -9.73990044
  H     13.51293342      8.31506248    -16.86602377
  O     14.49563738      4.54676407    -16.42593343
  H     13.91019688      6.39857786    -13.25572641
  H     13.19321794      7.48687805    -15.56837931
  O     19.03074571      5.08840902    -16.82446679
  H     15.31664240      6.27540149    -12.58831294
  H     20.02121731      6.20032103    -15.51897002
  O     17.79253230      7.42374981    -17.78263405
  H     16.53968051      9.61161356    -13.26318552
  H     20.30312053      7.70579968    -15.45678626
  O     16.28150734      7.58661702    -15.52132303
  H     17.21488306     10.22274494    -14.53042209
  H     17.63818935      6.18039876    -12.51992321
  O     14.14218108     10.71060714    -14.62429331
  H     16.65741915      5.85381469    -15.25977885
  H     17.00170523      5.22668719    -11.47215389
  O     16.90431236      5.23034347     -9.60463384
  H     16.99860086      4.87594845    -14.12563913
  H     18.54878396      7.74699474    -10.87920658
  O     13.59422698      8.29858706    -15.90355479
  H     14.94891804      7.64195726     -9.57079480
  H     17.90583462      6.89054116     -9.76779887
  O     20.31708767      6.89772750    -14.92486623
  H     14.39318660      6.69954119    -10.65421270
  H     16.33900586     10.28605129    -17.51203492
  O     16.98406718      5.47377675    -12.40387800
  H     20.34632613      9.56072477    -17.36981273
  H     16.85597754      9.05108420    -18.29113380
  O     18.17490307      7.79042752     -9.98852829
  H     19.19555445      8.56429991    -17.18437137
  H     15.30280880      9.52825638    -11.34151579
  O     16.20098441      9.75834055    -18.30966905
  H     14.70620885      5.00625564    -17.25157094
  H     14.77980528      8.53140166    -12.40832509
  O     15.04125092      9.45332030    -12.26754422
  H     15.33514126      4.45154547    -15.95832464
  H     13.29248830      8.94268543    -19.38169408
  O     13.80340823      8.54149711    -18.68409291
  H     18.30735409      4.90960803    -16.19854680
  H     14.62822370      9.05460973    -18.60499432
          69
 Ord_Energy   -248.327377    
 O  -0.837410748      -4.25758648      -5.88020012E-02
 H   -1.47379732      -3.82516193      0.525762498    
 H   -1.28843367      -4.37819624     -0.902651966    
 O   -5.17753220      -2.73384571       1.11333120    
 H   -4.23667765      -2.72323489       1.36284769    
 H   -5.64714479      -3.15525246       1.82818449    
 O   -4.98418808     -0.263899088     -0.282260388    
 H   -4.02808714     -0.372823000     -0.427351505    
 H   -5.24800777     -0.995387912      0.286552995    
 O   -2.53343272       3.32005811      0.495341778    
 H   -2.80882716       4.02294254       1.07909691    
 H   -3.32534361       3.03280807       1.36958901E-02
 O   -3.25815558     -0.297277540      -4.34639215    
 H   -3.73711133      -5.11299409E-02  -5.14652109    
 H   -3.03948903      0.535341501      -3.89728141    
 O   -4.53396940       3.26937461      -5.01602840    
 H   -5.30202389       3.30093145      -4.43219185    
 H   -4.67384434       2.50944734      -5.59566212    
 O    1.25902498       1.73744297      -1.02737057    
 H    2.18250942       1.96684265     -0.972973645    
 H    1.21434176      0.830665648      -1.38302624    
 O    1.31628358      -2.65455151      0.325230092    
 H   0.589656413      -3.28112745      0.158152804    
 H    2.08524752      -3.17998219      0.531475306    
 O   -2.85338044       2.13484049      -3.17488718    
 H   -2.08194971       2.61930633      -2.85029483    
 H   -3.30448484       2.66241217      -3.85124016    
 O  -0.214963794      -1.23882222       2.33606863    
 H   0.401372403      -1.67378461       1.73334062    
 H  -0.367972642     -0.361856222       1.96012402    
 O   -2.33101463     -0.675661266     -0.623312712    
 H   -1.71590674      -6.30801395E-02 -0.199149773    
 H   -1.92985570      -1.01265621      -1.43312120    
 O  -0.758729935       1.12493908      0.821199238    
 H   -3.93849984E-03   1.37247956      0.269791692    
 H   -1.35822117       1.88108170      0.836016417    
 O   -6.94963884      0.556090832      -4.42884684    
 H   -6.94115305       1.36665606      -3.90552735    
 H   -6.59851503     -0.139275283      -3.85514450    
 O   -4.74264336      -3.64933848      -1.60248554    
 H   -5.08351326      -2.91117454      -2.12584257    
 H   -4.95554781      -3.44828916     -0.684668422    
 O   -2.48324299      -2.51196957       1.44314468    
 H   -2.45746064      -1.94837892      0.654284239    
 H   -1.77070320      -2.16772556       1.99969506    
 O   -1.32715654      -1.75245333      -2.99590874    
 H   -1.93956029      -1.31184328      -3.60151482    
 H   -1.61029184      -2.67186999      -2.91000247    
 O   -5.45612288      -1.23463821      -2.86053944    
 H   -5.37866879     -0.845728517      -1.97830164    
 H   -4.66974878     -0.966337800      -3.35704970    
 O   -4.61813927       2.33933520      -1.08011925    
 H   -3.98885489       2.20349193      -1.80829442    
 H   -4.85407209       1.46980917     -0.725904167    
 O  -0.842829525       3.44443417      -1.87440109    
 H   -6.68105483E-02   2.90828300      -1.66582561    
 H   -1.31741202       3.56152463      -1.04308271    
 O   -6.57122612       3.00323629      -2.96343255    
 H   -5.95421505       2.83390141      -2.23429132    
 H   -7.20086956       3.64562583      -2.64457059    
 O   -5.00979137      0.744440377      -6.32050371    
 H   -5.77434397      0.650828898      -5.72338009    
 H   -5.31623030      0.530127883      -7.19727135    
 O   -2.29412961      -4.34826946      -2.49974418    
 H   -3.18893504      -4.14339399      -2.17337346    
 H   -2.37707257      -5.10606384      -3.07250786    
 O    1.03682661     -0.815474868      -1.81058288    
 H   0.306235194      -1.15513158      -2.34302187    
 H    1.17696059      -1.45147479      -1.09732628    
          69
 Energy    -248.32727910158135     
  O     15.33595217     11.81439142    -11.76555032
  H     15.96195080     11.65840432    -12.48640040
  H     18.85679605      9.38205129    -11.26787489
  O     14.80758964      6.72511671    -15.14673184
  H     15.68510876     11.32180783    -11.01529751
  H     15.34700502      7.97489250    -13.87462974
  O     14.67784024      5.78088945    -10.56842462
  H     13.89421624      7.03612601    -15.09663550
  H     16.66619087      7.94024360    -13.09661097
  O     16.24916872     10.44351238    -16.39893150
  H     14.90436082      6.00090802    -14.51181686
  H     13.76911311     11.68475113    -12.52811937
  O     10.62052485      6.69046727    -11.68142718
  H     14.53085291      6.73802762    -10.58565969
  H     12.51091450     12.43974961    -13.01362063
  O     12.30749800      7.85378989    -14.72419698
  H     13.82043342      5.37289317    -10.39599637
  H     13.44998448      4.09313166    -13.26645584
  O     14.42004465      8.49406860    -10.81621339
  H     16.22109737     10.87262002    -17.24975727
  H     12.34594686      4.05257814    -12.19578910
  O     10.70830705      5.58712997    -14.33699589
  H     15.32492916     10.35099233    -16.10424558
  H     13.46605150     10.75047804    -14.66835121
  O     18.28776575      7.18513411    -13.46738590
  H     10.48622202      6.35975437    -12.57817685
  H     13.17842548      9.42167609    -15.38797682
  O     17.28791795      7.75567328    -15.97595976
  H     11.00349885      7.57241224    -11.77751385
  H     16.53678303      5.81976445    -10.28007030
  O     17.95816427      4.48922825    -12.67777889
  H     11.69503125      7.10769492    -14.73238213
  H     17.78573497      6.74581109    -10.35908072
  O     18.42522888      8.54430688    -11.03961388
  H     12.24741423      8.24044745    -13.83896133
  H     14.99720197      5.18641246    -12.27983918
  O     15.80565499      8.38076627    -13.12883079
  H     14.96587735      9.04206922    -10.24151358
  H     16.11391909      4.54698987    -13.12763263
  O     12.93773676     11.58690504    -13.02506762
  H     14.88585486      8.47232391    -11.67032816
  H     11.52185274      5.48213065    -10.79865607
  O     12.50464292      3.93906669    -13.14121256
  H     11.35513839      4.94963978    -13.98410267
  H     11.54212505      4.35727472     -9.73625264
  O     13.70974597     10.22536315    -15.44027778
  H     10.07991476      5.08687975    -14.85020200
  H     18.55192938     10.95497686    -12.73640104
  O     17.50125562      5.82558173    -10.35606349
  H     18.25632850      6.22813562    -13.35030792
  H     20.03076866     11.32199053    -12.52979006
  O     15.18588298      4.80734201    -13.15087450
  H     18.08867318      7.37976126    -14.39651485
  H     12.22035127      9.95877598    -12.44576662
  O     12.06292451      4.76388508    -10.42352801
  H     17.05577963      8.66621250    -16.19072533
  H     12.84675208      8.83045182    -11.60675575
  O     19.27813583     10.93169024    -12.09245942
  H     16.44026236      7.30154962    -15.86274639
  H     16.85769183     10.34221709     -8.92482804
  O     12.09534535      9.03912619    -12.18117345
  H     17.85935562      4.88628560    -11.79268089
  H     17.13317595      9.49553790    -10.18358378
  O     16.46131593     10.03683240     -9.73718127
  H     18.57293465      3.76597512    -12.59122089
  H     16.58909045      9.99615217    -13.48110185
  O     17.03235813     10.81701334    -13.74405500
  H     18.48087962      8.02409109    -11.85432992
  H     16.90101832     10.87371133    -14.69763318
          69
 Energy    -248.32716622531836     
  O     -1.12594983      2.03179643     -1.21790635
  H     -1.20320604      2.34373949     -2.11619712
  H      0.80548659      0.37378414      2.86682832
  O      3.49686284      4.46758179      0.61440686
  H     -0.30591144      1.51147508     -1.17470720
  H      4.40816262     -2.83917576      1.48053902
  O      4.60196887     -0.25999194      3.28162851
  H      3.74578411      5.38092688      0.49753004
  H      4.07861225     -1.50972032      2.19645622
  O      1.50874862      1.43877652      1.66590190
  H      2.58861652      4.47747168      0.95711605
  H      4.46878391      0.92207260      6.55382353
  O     -1.55506941      3.21852549      1.31504244
  H      4.33989858      0.00882662      4.16903138
  H      4.03989002      1.79296500      5.34786468
  O      1.05312103      0.37440492     -0.88474499
  H      4.66898232      0.55259594      2.76344217
  H     -3.04579826      3.59289978      4.05123772
  O     -2.34442013     -0.22963551      0.12778305
  H      1.31983022      1.06927295      0.79336979
  H     -2.35426608      4.14109185      2.78665464
  O      4.20233466      2.03472112      1.66954225
  H      1.26606469      2.37339218      1.65532225
  H      1.23953417      2.98573925      4.83437643
  O     -0.36479892     -2.00115062     -0.38591173
  H     -1.69476798      2.40142463      1.81767578
  H      0.67883051      4.42845627      4.92501237
  O     -0.87603689      5.14354187      5.59603411
  H     -1.48023422      2.95002482      0.39140769
  H      0.79644689      0.68079753      4.91505014
  O     -2.07631204      0.84863948      2.69251005
  H      0.64576415     -0.49473121     -0.76935218
  H      2.01158738      1.10323499      5.78307286
  O      0.34244611     -0.23679392      3.46238356
  H      2.01415863      0.24867416     -0.89196620
  H     -2.66567830      2.03958146      5.55539778
  O      3.78736948     -2.11476152      1.49052091
  H     -2.37545198      0.07413314      1.04596795
  H     -4.15736260      1.64543008      5.42300756
  O      3.88701704      0.94234029      5.79829770
  H     -2.12444656      0.54696804     -0.39937139
  H     -0.46541436      1.99275829      6.34562555
  O     -2.64107487      4.38526644      3.67517392
  H      4.14218843      2.89056251      1.22008357
  H     -1.12275046      3.39025277      6.39828242
  O      1.35768500      3.88751014      4.50231174
  H      3.28793158      1.71560354      1.74351072
  H      4.10303877      0.71430647      0.08726532
  O      1.09135040      1.31451462      5.58622552
  H     -1.14114613     -1.45155689     -0.17497036
  H      3.76444702     -0.78446217      0.14176750
  O     -3.39321556      1.91260519      4.91982600
  H     -0.66983441     -2.70053103     -0.95794011
  H      1.11109448      4.15601309      2.75000024
  O     -1.29351115      2.45169144      6.54252471
  H     -1.11392044      5.99011317      5.96357292
  H      0.05970847      4.00020829      1.60732819
  O      3.72342918     -0.00453645     -0.42846447
  H     -1.51434156      4.95441545      4.88455477
  H      1.95834436     -2.41702061      1.86210265
  O      0.99184955      4.18213329      1.78845112
  H     -1.27766445      0.41120577      3.02081239
  H      0.54739852     -2.40826683      1.23465785
  O      1.01862958     -2.48843545      2.07296074
  H     -2.59969960      1.11388733      3.45824233
  H      3.21332334      3.62613482      4.39090372
  O      4.09039201      3.22222164      4.33866803
  H      0.52588765     -1.12365547      3.12315187
  H      4.21404185      2.95941806      3.41976015
          69
 Energy    -248.32715047423650     
  O     15.61223546      5.88841282     -8.48393574
  H     14.68402214      5.62606224     -8.62437345
  H     10.14866597      9.38199677    -15.33802916
  O     13.71192788      5.43885599    -15.97250040
  H     15.79652694      5.74784074     -7.55869947
  H     11.45642811      7.30050577    -14.66367474
  O     16.85999724      7.11232582    -14.81278689
  H     14.17028013      6.14335429    -16.44695151
  H     12.39658545      6.06915801    -14.93099881
  O     14.40346757     11.24336026    -14.21011014
  H     14.41431972      4.90292258    -15.58441153
  H     16.35740734      9.22619236    -12.42691186
  O     10.72138499      5.54466716    -11.87323656
  H     16.53370430      7.84528827    -14.27231310
  H     15.08214705      8.50032776    -12.97369058
  O     16.80914425      4.86338982    -10.82746771
  H     16.44798138      7.24550883    -15.67683440
  H     13.38845782      7.88685516    -11.86914922
  O     12.48103731      3.43952732    -11.08488016
  H     14.96173944     10.53413453    -13.84543973
  H     13.09965747      7.13655090    -13.21108655
  O     17.52035688      9.13291992    -11.00318010
  H     14.91480776     12.04709760    -14.17373947
  H     12.34533242      5.89468693     -9.06314925
  O     11.97468944     10.38570373    -12.95064677
  H     11.01605345      5.82443443    -12.75043130
  H     12.82648968      4.52288099     -9.56501860
  O     17.88264802      3.26664899    -12.88387990
  H     11.20473841      4.73487164    -11.66849804
  H     14.94191889      4.56613041    -13.15851649
  O     13.54167302      9.51734894    -16.29773290
  H     15.97665576      4.79547016    -11.31952250
  H     14.25884575      5.69391982    -12.33111918
  O     11.00316264      9.04002095    -15.08981633
  H     16.55910801      5.17877141     -9.95139365
  H     14.65007053      8.29506112    -16.82969243
  O     11.80949323      6.48679493    -14.28256456
  H     13.22587692      3.83668728    -11.57073789
  H     15.42271506      7.68818419    -18.02385530
  O     15.78067216      9.13744382    -13.19541047
  H     12.51524739      2.50057789    -11.24591061
  H     16.69458129      3.93262977    -14.14546055
  O     13.79419569      7.37491303    -12.58142026
  H     17.85985336      8.31032438    -11.40082251
  H     16.34262750      5.35268884    -14.66983182
  O     13.03022211      5.22714789     -8.93740193
  H     18.27947598      9.65276883    -10.75408103
  H     17.76513235      6.13962911    -11.77591205
  O     14.49862765      4.75530200    -12.32063587
  H     12.77978826     10.79537514    -13.29022785
  H     17.93199830      6.80676918    -13.16701653
  O     15.25605531      7.57871884    -17.09138821
  H     12.19989635     10.00215016    -12.09276250
  H     10.11471401      7.15127577     -9.22659627
  O     16.00826770      4.44678649    -14.59231846
  H     17.61251635      3.70056364    -12.06053601
  H     10.81116279      6.55856955    -10.47557971
  O     18.22568808      6.84597274    -12.24989614
  H     18.83703524      3.30441869    -12.89285773
  H     15.34934119      7.67612941     -9.09238721
  O     10.96124172      7.06653394     -9.65684587
  H     13.85833600     10.19318309    -15.68598282
  H     15.99828445      8.80391298     -9.91228690
  O     15.19008597      8.55910685     -9.44661443
  H     12.64057943      9.31823732    -16.01654250
  H     12.09747608      8.41930284    -10.18929654
  O     12.74342862      9.00108164    -10.61055939
  H     11.27873633      9.52311589    -14.28907102
  H     13.57548537      8.93336603    -10.11635400
          69
 Energy    -248.32712148140178     
  O     -2.77984811      4.46759267     -1.93012249
  H     -3.28984571      4.89899139     -2.61106328
  H     -0.33603860      6.16007358      0.61469292
  O      2.19467337      1.27573510      5.27612071
  H     -3.11554456      4.80051704     -1.07850772
  H     -0.76849833     -0.40872674      3.46427354
  O     -1.20123349      3.07729936      0.92985099
  H      1.67538363      2.02319707      4.93271011
  H     -1.67400205      0.84196250      3.20371517
  O      0.10682411      4.35942019     -1.94018018
  H      2.42959846      1.49484020      6.17402492
  H     -2.86505692      1.16798748     -0.90752033
  O      0.18179326     -0.28233314      0.60835704
  H     -1.96290681      2.73758879      0.44057966
  H     -3.11887609      2.67616155     -1.33705084
  O      0.73673090      3.27862062      4.12141832
  H     -0.41082814      2.76270688      0.47577765
  H     -2.79649678     -0.86185005     -0.10526016
  O      1.06338628      6.50717812     -0.65917419
  H      0.42545904      3.52099759     -1.57954337
  H     -1.34556265     -0.54782311     -0.50151377
  O     -3.59818716      5.36337483      0.54498145
  H     -0.85727984      4.32100996     -1.96069218
  H     -4.67558403      2.86315660      2.37964160
  O      3.59433906      0.83854128      2.83060144
  H      0.94802863     -0.75723760      0.95345243
  H     -5.21605018      3.97361828      3.30994212
  O      0.72917844     -0.95529154      4.23621192
  H     -0.40014424     -0.12358752      1.36488156
  H     -2.77426989      3.03356765      3.50951861
  O      2.89929543      5.86959548      1.32493150
  H     -0.19898218      3.05228172      4.03560070
  H     -1.58264388      2.78450915      2.58161191
  O     -0.93953903      5.83271495      1.29129540
  H      0.80614650      4.24132673      4.03610533
  H     -3.85333966     -2.00691821      2.02366391
  O     -1.47387256     -0.05330016      2.90313340
  H      0.99235160      7.26510203     -1.23326308
  H     -2.86440684     -0.82598382      2.14501289
  O     -3.23563285      2.02289596     -0.63999087
  H      0.76799448      5.73406678     -1.17508599
  H     -4.42962382      1.66503100      0.65728040
  O     -2.25430768     -0.51923750     -0.82773741
  H     -2.76858399      5.73720476      0.87295830
  H     -4.62449865      0.49435480      1.62383064
  O     -4.44617299      3.70457955      2.81542509
  H     -3.94281457      4.82758493      1.26862345
  H      1.75162312      3.15196336      2.53100162
  O     -1.89160742      2.64802854      3.49401844
  H      3.27757245      0.95015190      3.73618581
  H      2.63796480      4.04747904      1.62629693
  O     -3.62383911     -1.16472463      1.63948650
  H      3.31951680      1.63994246      2.36589714
  H      0.77433419      1.24190965     -0.20179782
  O     -4.88980715      1.40757759      1.47083046
  H      1.21383589     -0.25129564      4.68485134
  H      1.60581338      2.46659595      0.26597227
  O      2.36055636      3.13627209      1.77983810
  H      1.30227195     -1.25600203      3.51998273
  H      3.03128890     -2.09699722      1.73300118
  O      1.01922606      2.14846396     -0.43600653
  H      3.72638094      6.31987184      1.17128643
  H      2.89388961     -0.62675917      2.19694931
  O      2.39202194     -1.41777811      1.92954363
  H      2.30497876      6.11810678      0.59863451
  H      1.67502090      6.03757475      2.87478686
  O      0.89757489      5.91782778      3.43150319
  H     -1.01501091      4.87539305      1.15191278
  H      0.14691387      5.97461744      2.82321937
          69
 Energy    -248.32709293922247     
  O     14.67248658      9.77418983    -11.31074148
  H     13.80739786      9.91424031    -10.89777712
  H     11.57098892      5.30073644     -9.46990763
  O     19.88803798      7.10755497     -9.76107640
  H     15.30508355      9.64591360    -10.58908084
  H     14.34765124      7.67017137     -5.40024973
  O     17.10357925      5.26984664    -11.84508767
  H     19.29399508      7.42674572    -10.45994185
  H     14.82813389      8.91028563     -6.16284911
  O     14.46125264      5.27247751    -11.08606957
  H     20.76977742      7.12340124    -10.12579108
  H     12.54646840      7.54442021    -12.32041612
  O     18.22876699      4.79037832     -9.31396463
  H     17.35803801      6.19808913    -11.75466196
  H     13.91513923      8.22314136    -12.05181345
  O     16.54293717      9.67306130    -13.33223974
  H     17.09832466      5.07609716    -12.79395928
  H     17.40242998      8.33037636    -10.72082867
  O     18.61068937      8.64861134     -7.69991874
  H     15.37794755      5.16087427    -11.37399490
  H     17.60424663      8.50273302    -12.23743243
  O     16.46681091      5.11257349     -7.25304786
  H     14.07039891      5.97132622    -11.62938176
  H     16.32517808      5.87989706    -14.64779016
  O     16.46736378      9.04336197     -9.34798114
  H     18.89600012      5.48512306     -9.35323265
  H     16.81460008      4.62651938    -15.39591661
  O     14.97545837      6.82941439     -8.84667622
  H     17.84505255      4.76124053    -10.20070476
  H     12.27444129      6.28922539     -4.74060701
  O     12.61645302      7.89301577     -7.90781507
  H     16.75387375     10.53113459    -13.69184066
  H     13.17774038      5.74731635     -5.87655534
  O     11.09437862      6.13687924     -9.52297827
  H     15.83787754      9.81312979    -12.67694555
  H     13.42836438      4.28470832    -10.04597945
  O     15.10792742      8.25673149     -5.52297653
  H     19.16348300      8.10539326     -8.27525824
  H     12.67656240      2.97469808     -9.72113871
  O     13.49709552      7.45566522    -12.46542839
  H     18.36212409      8.09431161     -6.95016703
  H     11.64041421      9.18808290    -10.62586174
  O     17.87895155      7.96909137    -11.48361030
  H     17.10561382      4.89938530     -7.95119016
  H     12.31132565      9.21431700     -9.24279657
  O     16.86427898      5.07521717    -14.55686940
  H     16.91393480      5.68491362     -6.61807903
  H     17.92118050      7.03511857     -4.66686324
  O     12.87022417      6.55951741     -5.43338317
  H     15.93358758      8.26289131     -9.13198378
  H     16.70528678      7.53631489     -5.48199005
  O     12.82547601      3.86411170     -9.40915193
  H     17.20584171      9.06258729     -8.72280052
  H     13.45394486      4.17655958     -7.62618217
  O     12.23072971      9.70942937    -10.06883771
  H     14.79363347      6.31511917     -9.64326437
  H     14.76523924      4.49162429     -6.86934950
  O     17.56167342      7.07788536     -5.54928378
  H     15.47043354      6.25688459     -8.24538941
  H      9.94884021      7.73540676    -12.02961157
  O     13.80795850      4.40342901     -6.75827257
  H     13.45168777      7.53197870     -8.24551812
  H     10.84999222      7.11723041    -10.93179642
  O     10.83217985      7.75044999    -11.67252287
  H     12.52421364      7.54245786     -7.01445344
  H     14.61353125      7.31493758    -13.97327890
  O     15.36629436      7.36941984    -14.57682862
  H     11.53257544      6.73287598     -8.90082036
  H     15.82979664      8.17591947    -14.32309365
          69
 Energy    -248.32685738516096     
  O     12.26498030     11.86123722    -15.76398580
  H     12.18932038     11.52169576    -14.85788393
  H     20.23792810      7.76223371    -13.30317999
  O     19.17975467      7.98604148    -10.26567825
  H     11.55847235     11.44997774    -16.25620308
  H     18.73604587     12.19875393    -14.50982933
  O     16.93071037     11.20795085    -11.90510901
  H     18.95150668      7.13344920    -10.65580671
  H     18.10246763     12.25624674    -15.90442903
  O     11.88464413      8.01682187    -13.30803029
  H     18.33790893      8.42913884    -10.09262685
  H     12.67219964      7.27917275    -14.70792862
  O     15.87419605      6.88502413    -11.93994203
  H     16.86578323     10.48449675    -11.26696418
  H     12.68362776      6.21145183    -15.81634106
  O     13.31373482      7.27748112    -10.96423763
  H     17.74868377     11.08406967    -12.40353691
  H     15.69504880     10.70355915    -13.13422512
  O     18.41361631      5.71272537    -11.86453305
  H     11.91405499      8.98194898    -13.27911791
  H     15.10993537     10.98503958    -14.55729273
  O     14.98730626     12.11572043    -16.00426075
  H     12.29661924      7.72037068    -12.48676633
  H     13.60257029      9.04452153    -10.16206730
  O     18.04550667      8.84614945    -15.32412622
  H     15.79303995      7.16503958    -12.86388059
  H     13.61634479     10.59535070    -10.10774306
  O     16.58131928      9.02970904    -10.25166971
  H     16.68701379      6.36880344    -11.87547946
  H     21.76129692      9.18039224    -11.67742678
  O     17.23590905     10.95389540    -17.07557470
  H     13.07951523      6.59068385    -10.34375044
  H     20.31414613      8.73927810    -11.34828760
  O     19.70236494      7.12563087    -13.79300719
  H     14.20318694      7.06227347    -11.28980467
  H     16.22871596     15.15457471    -14.74272961
  O     18.32854623     12.80424893    -15.14362753
  H     18.85967208      6.15862755    -12.60731879
  H     16.94952599     13.78732262    -14.69025940
  O     13.21024096      6.90325132    -15.42628342
  H     18.74199167      4.81795875    -11.84467273
  H     15.40208063     13.74313541    -12.79477080
  O     15.07278777     10.38524819    -13.80138768
  H     14.01997681     12.07833558    -16.02936794
  H     15.87349051     12.67789796    -11.79689668
  O     14.01189572      9.80276569     -9.72769254
  H     15.24621912     12.92976881    -15.55132420
  H     13.73499457     12.68364707    -11.25745729
  O     20.89171988      9.08163454    -12.05463866
  H     17.21699075      8.40378609    -15.08531249
  H     12.52427192     12.85693406    -10.31154160
  O     16.09514551     14.23182326    -14.54149172
  H     17.82493310      9.48501266    -16.01218119
  H     18.74955057     10.02779165    -14.10494450
  O     15.19083947     13.34999800    -11.94158100
  H     15.73582636      9.35091163     -9.90400229
  H     19.81797657     10.24322384    -12.99870030
  O     12.95333501     12.23242652    -10.89027069
  H     16.36393595      8.30469798    -10.85375248
  H     13.33995809     10.56625620    -13.37896288
  O     19.12472270     10.68653245    -13.50236788
  H     16.38344784     11.32019564    -16.78457870
  H     12.40699230     11.30908443    -12.40481844
  O     12.40821455     10.77863690    -13.21060293
  H     17.23386146     10.98309725    -18.02932318
  H     15.37521430      8.72768653    -14.25985715
  O     15.61650416      7.82179687    -14.51126471
  H     19.20442439      7.63710756    -14.44349494
  H     14.83739006      7.42759027    -14.92806148
          69
 Energy    -248.32664324701494     
  O     -2.44264373      4.81753160      3.37341092
  H     -2.25532117      4.58967518      4.29179811
  H     -0.13329419     -1.17921761      2.19470986
  O     -2.68928233      2.75365717      1.57907770
  H     -1.60343750      5.12513616      3.00836762
  H     -3.25440100     -1.12986839      3.09476591
  O     -1.44273074      4.09561063      5.97848943
  H     -2.79032738      3.48960911      2.20027079
  H     -3.35582784     -2.14130189      1.94242384
  O      1.62643023     -3.01516097      0.72145749
  H     -1.79697647      2.83715060      1.21958232
  H     -1.30946613      2.26431449      5.67061705
  O      0.19628751     -0.34793608     -1.00807658
  H     -1.50392997      4.59243280      6.78979047
  H     -0.18602049      1.47303403      4.95494409
  O     -2.62400188      0.55699100      3.23576176
  H     -0.54569287      4.23953084      5.62439882
  H      1.21599484     -1.98437847      3.93822261
  O     -3.35678729     -1.91983835      0.05500263
  H      1.37878119     -2.96688404      1.65387872
  H     -0.09244864     -2.79944113      3.75221127
  O     -0.93257352      1.93360907     -1.89154686
  H      0.80328460     -3.16721586      0.23527211
  H     -0.46398486     -2.17155552     -1.11472389
  O      2.84730651     -0.75817170     -0.12317900
  H      1.14950715     -0.44292340     -0.89006176
  H     -1.66809653     -2.76891543     -0.39762485
  O     -0.49937511     -1.16620689      6.38142310
  H     -0.18786861     -0.43206604     -0.12023332
  H      1.32199675      3.40910570      4.64366850
  O     -1.64620677     -3.17021603      4.67730733
  H     -2.75805156      1.34595925      2.69403758
  H      0.81088888      4.65840301      3.88251461
  O     -0.49164074     -0.42422815      1.70943693
  H     -2.14554854      0.83699930      4.02762570
  H      0.86756866      0.66639277      1.67790557
  O     -3.34140623     -2.07575950      2.90418743
  H     -3.28770407     -0.96215849     -0.09902277
  H      2.26330760      0.66912702      1.03283873
  O     -1.06414763      1.38695119      5.35240914
  H     -4.13238807     -2.20903203     -0.42084555
  H      1.14275258     -1.09070596      5.83475627
  O      0.67013614     -2.43538907      3.28296026
  H     -0.49258412      1.09004167     -1.68028019
  H      2.66579242     -1.34893013      5.96150401
  O     -0.78882451     -2.99322965     -0.72554970
  H     -0.87481339      2.04991737     -2.83607278
  H      1.69340691      1.49906107      3.35994736
  O      0.97411086      4.30258140      4.76515521
  H      3.68514018     -0.96181755     -0.52884313
  H      1.84246958      0.73175736      4.69872606
  O      1.66710345      1.20863732      1.56437174
  H      2.48096173     -1.60290583      0.20030856
  H      0.10594536      4.58383821      1.54844472
  O      1.99669614     -1.01644205      5.36919170
  H     -0.84424722     -0.29532557      6.13989254
  H      0.45692616      6.07449643      1.74349029
  O      1.55542331      1.56962766      4.31451141
  H     -1.00555699     -1.81982608      5.88320855
  H     -2.52999487      1.16166945     -1.04230826
  O      0.16087891      5.29494008      2.20747174
  H     -1.98054333     -4.00917769      4.98244974
  H     -3.21992801      1.46116443      0.28597571
  O     -3.15340277      0.79232244     -0.40762621
  H     -2.29905433     -2.82229905      4.04289985
  H      0.60945330      2.51389088      0.82422705
  O     -0.05777175      3.13753482      0.50475585
  H     -1.27317017     -0.11947376      2.18531299
  H     -0.31989589      2.85040028     -0.37895230
          69
 Energy    -248.32662945325660     
  O     -8.78381453     -3.30344815      3.37867950
  H     -9.14088017     -2.59696861      3.94560848
  H     -8.05140359     -0.44105144      4.33384777
  O     -5.55873010      0.49098570      0.26557700
  H     -9.17124866     -4.12006711      3.68264110
  H     -3.86794909     -0.77455718      5.81822051
  O     -5.97293838      1.33030741      5.99309416
  H     -5.72512689     -0.44320904      0.09396622
  H     -3.20501422     -0.64405646      7.20038945
  O     -5.73641764      5.13746972      0.69504018
  H     -6.34276926      0.82906443      0.72377950
  H     -2.52288561      3.65713443      1.65808941
  O    -10.05117964      0.42868139      0.79839150
  H     -5.28678579      0.77048550      6.38372624
  H     -1.20839950      3.12259001      1.03881629
  O     -9.54565085     -0.35894431      7.43344597
  H     -6.39524457      0.80323304      5.29797122
  H     -9.93737070      4.15572565      4.43510466
  O     -3.78250727     -1.27698553      4.12196432
  H     -5.84449184      5.83430060      0.05344508
  H     -8.66141752      3.62539939      3.75264928
  O     -4.51316255      3.00536243     -0.46763486
  H     -5.34435270      4.38051025      0.22315311
  H    -10.35445467      1.74088925      3.74179001
  O     -9.63616381     -1.19208889      4.84591444
  H     -9.20398022      0.83072108      1.05975019
  H    -10.67751847      0.77326927      2.57657894
  O     -6.28059845     -2.21760354      0.11023647
  H    -10.34806222      0.88908000      0.01726580
  H     -6.03605543     -2.42433159      1.97871627
  O     -3.72937791      0.92477693      2.33815343
  H     -9.30186837     -0.53992664      8.33679536
  H     -6.93170770     -2.89907414      3.14679155
  O     -7.22070398     -0.11593301      3.96020614
  H     -9.23645325      0.54484514      7.24847950
  H     -8.98533561     -2.57602700      1.62984586
  O     -3.99183198     -0.41545184      6.71394315
  H     -3.67573406     -0.53595419      3.51075085
  H     -9.39959544     -1.35435898      0.76735577
  O     -2.13633262      2.92944568      1.13837358
  H     -4.48104297     -1.83108755      3.75429088
  H     -7.60382690      1.91719619      6.58939597
  O     -9.44205406      3.35733791      4.26173943
  H     -3.63212323      2.96242759     -0.07513607
  H     -8.85855680      2.53007579      5.93003470
  O    -10.77725871      0.90018456      3.52747465
  H     -4.88346584      2.11759326     -0.37764380
  H     -3.94231341      4.25063942      3.20786474
  O     -6.08918913     -2.47283856      2.94172771
  H     -9.64315875     -1.00953252      5.79672895
  H     -4.22796891      5.10730796      1.96284351
  O     -8.90033630     -2.17960835      0.75363441
  H    -10.15210895     -0.49694443      4.40939558
  H     -4.53983076      2.16610033      3.44184933
  O     -8.54676945      2.08871728      6.72685158
  H     -7.24491555     -2.20721542      0.25335192
  H     -5.21840470      2.45031181      4.80523302
  O     -3.51629824      4.80866687      2.54105991
  H     -6.10254071     -2.89696074     -0.53466118
  H     -7.54503980      2.32520371      1.98971975
  O     -4.92761116      2.86750262      3.98321483
  H     -3.04987949      1.49621016      1.95895341
  H     -7.55161519      0.87116121      2.53650651
  O     -7.69184714      1.40523558      1.73878459
  H     -4.34043340      0.71290814      1.61909380
  H     -6.40114961      3.57008581      3.26296160
  O     -7.16048097      3.91488249      2.76674358
  H     -6.72331974     -0.88231028      3.64703408
  H     -6.79630525      4.44546998      2.04726145
          69
 Energy    -248.32657879341480     
  O     16.09060470      9.31685460    -14.81868763
  H     16.41091925      9.60757694    -15.68545412
  H     19.52674448      4.20776666    -17.12935112
  O     12.49954845      6.89604548    -16.50957597
  H     16.80154974      9.46710384    -14.18419907
  H     18.44391422      6.53116736    -17.83007505
  O     17.99219921      5.35655926    -13.29010879
  H     11.58260731      7.11082524    -16.65405061
  H     17.67199022      7.01163669    -16.58967856
  O     18.38514026      4.79794331    -18.60254796
  H     12.80005375      7.47569450    -15.78730881
  H     17.04533037      6.19464727    -14.59661574
  O     13.35987793      5.74071668     -9.84491830
  H     17.60283304      4.47349356    -13.24112272
  H     16.28339144      7.49598910    -15.04160757
  O     14.20025748      4.33902782    -13.61737166
  H     18.92062491      5.27789761    -13.53946017
  H     14.29140093      8.87669389    -14.60138970
  O     16.98926517      7.27582777    -11.64767056
  H     18.59147502      4.51400643    -19.49018429
  H     13.63464405      7.86548568    -13.65240555
  O     17.71794361      2.27153187    -15.61929130
  H     17.57757426      4.32701896    -18.34215962
  H     16.62723833      2.29266945     -9.66304104
  O     13.50918394      3.31776879    -11.07120471
  H     12.60040320      5.84557362     -9.27903422
  H     16.31779029      3.74954495    -10.08082004
  O     19.78903999      7.95403840    -14.88142020
  H     13.30752317      4.84657442    -10.22840460
  H     13.74539098      5.64050366    -16.49104165
  O     16.08959219      3.41479178    -17.76050113
  H     14.15565998      4.48236041    -14.57002262
  H     15.21120361      5.62648475    -15.96566449
  O     19.86959119      3.84178991    -16.30846462
  H     14.24713382      5.21496440    -13.20695405
  H     21.44808641      4.98495098    -13.86168180
  O     18.32417215      7.29166076    -17.25194770
  H     17.40998809      8.08024365    -11.97000488
  H     20.41861865      4.78803725    -15.00219829
  O     16.51579952      6.59361055    -15.29941703
  H     17.38576127      6.55408411    -12.16170972
  H     15.72746849      3.41987838    -13.35255818
  O     13.47087084      8.39088639    -14.44670262
  H     17.30565320      2.40251970    -14.75525891
  H     16.55629333      2.79874852    -12.20096236
  O     16.26124107      2.82042986    -10.36756587
  H     17.08620425      2.58446610    -16.27607267
  H     15.25857960      5.62831098     -9.54521476
  O     14.50301071      5.06309914    -16.31743033
  H     14.37428798      2.98327424    -10.80357430
  H     16.56291644      6.13663849    -10.18959206
  O     20.62940318      5.32220695    -14.21369271
  H     13.59122312      3.53449851    -12.01012652
  H     15.21370598      7.04110909    -12.08280164
  O     16.57336256      2.99428606    -13.14611135
  H     19.41942728      7.81385112    -15.76173562
  H     13.88294858      6.56702192    -11.44217517
  O     16.20262445      5.44137248     -9.62449084
  H     20.18563590      7.11088763    -14.62978687
  H     18.87000068      8.86956324    -13.70523110
  O     14.29830734      6.80054765    -12.28151789
  H     15.46945189      3.99025014    -17.27943744
  H     18.81423945     10.11841607    -12.79600371
  O     18.31081048      9.35773562    -13.07410273
  H     15.55919162      2.76971806    -18.22212900
  H     16.80430067     10.04387179    -18.18844865
  O     17.14369128      9.80893920    -17.32815286
  H     19.20020153      3.20561416    -16.01168131
  H     17.61428411      8.96857868    -17.44540272
          69
 Ord_Energy   -248.326569    
 O    2.93323231       2.90070724       6.00605679    
 H    2.92484689       2.13044572       5.42521191    
 H    3.73873210       3.38396406       5.78318501    
 O  -0.568886697       1.96628511      0.112244532    
 H   -1.46211219       1.86395931      0.462655365    
 H    3.53974104E-02   1.85764968      0.857421398    
 O    3.11755013      0.837677896       3.99091101    
 H    3.50371265      -3.04211099E-02   4.07024479    
 H    3.77608657       1.39812195       3.54086804    
 O  -0.560878158       4.18138123      -1.45227194    
 H  -0.502962589       3.35718632     -0.935187936    
 H  -0.411612302       3.94508314      -2.36387706    
 O   0.787364244       5.77933836      0.423774987    
 H   0.108660601       5.73056173       1.11394715    
 H   0.401845366       5.34359121     -0.345702648    
 O    1.80901968       7.72292042       2.31939292    
 H    1.52366698       7.25100327       1.52752292    
 H    1.00821161       8.03827000       2.76036978    
 O   -1.10266006       5.72151709       2.45767784    
 H   -2.01261711       5.85296679       2.16132498    
 H  -0.853406549       6.51213074       2.95325089    
 O    4.77043104       2.63273406       2.79347825    
 H    4.18517399       3.13850307       2.21379089    
 H    5.04463720       3.24799824       3.48601222    
 O   -3.26885605       1.97404885       1.06339300    
 H   -3.30400538       2.02425575       2.03054047    
 H   -3.97177887       1.38481069      0.797201633    
 O   -3.30857921       6.57125521       5.48071051    
 H   -3.36819744       7.30886364       4.86117315    
 H   -2.41583538       6.60564899       5.84115839    
 O    2.85901475       5.83981323       3.98848248    
 H    2.11999726       5.52563334       4.52477407    
 H    2.55608296       6.58764791       3.45176888    
 O   -3.21125889       2.18715572       3.84607768    
 H   -2.32709980       2.58981133       3.91194654    
 H   -3.30147958       1.59322488       4.58673239    
 O   -4.57468271       4.73331594       3.82049298    
 H   -4.20280027       3.84988713       3.90240026    
 H   -4.16848803       5.27320766       4.51614046    
 O   -3.29356503       8.50074959       3.30135679    
 H   -3.50165963       7.79160023       2.66766691    
 H   -3.90748978       9.20980740       3.12962008    
 O    2.66880298       4.19719839       1.71267521    
 H    2.77077198       4.73115778       2.51258087    
 H    2.10786581       4.71656322       1.12152541    
 O  -0.549971938       6.87768221       6.31853342    
 H   -3.16204987E-02   6.07300282       6.14961767    
 H  -0.319642723       7.17257261       7.19614983    
 O   -3.16084266       4.55157614     -0.253055841    
 H   -2.32429647       4.53067303     -0.731989563    
 H   -3.24492645       3.68781400      0.168685019    
 O    1.13905001       1.99887371       2.35991144    
 H    1.71256459       1.45216668       2.90933919    
 H    1.67167985       2.76144123       2.08473134    
 O    5.05242586       4.51582956       4.91439629    
 H    4.34102058       5.09458590       4.58741999    
 H    5.74068689       5.08668470       5.24517727    
 O   0.863374531       4.65185976       5.60810471    
 H    1.55070198       4.02558470       5.88027382    
 H   0.249995023       4.16594315       5.04013681    
 O  -0.558221519       8.12388992       3.79162621    
 H   -1.46395433       8.41701508       3.62300539    
 H  -0.518746138       7.81937408       4.70809746    
 O  -0.777582109       3.36378813       3.77737117    
 H  -0.127133518       2.83402991       3.29481435    
 H  -0.918357313       4.18596363       3.28198814    
 O   -3.75208259       6.29907560       1.75536656    
 H   -3.65170741       5.78440666      0.942004979    
 H   -4.15573025       5.72227859       2.42495584    
          69
 Energy    -248.32654621150704     
  O     14.70441110     10.41906614     -8.85381503
  H     14.29745046     10.77375848     -9.65585704
  H     17.68094627      3.34271750    -13.06900020
  O     12.94191501      8.02816926    -16.39306941
  H     15.65392735     10.45067144     -9.01872320
  H     13.20046060      7.89978416     -9.92761900
  O     15.66060708     11.71922149    -14.64091399
  H     13.41226390      7.24520325    -16.06146438
  H     14.01631486      8.73148072     -8.91180478
  O     15.66262923      6.11563692     -8.50484176
  H     12.46940139      7.75062591    -17.17471334
  H     17.22724037      4.35060092    -15.81975954
  O     17.47925165     10.41889309     -9.69944843
  H     16.30237600     12.33683660    -14.98452523
  H     17.74229996      5.80216295    -15.90287012
  O     16.92252846      7.92402496    -13.00115969
  H     16.04525591     11.34089052    -13.83214974
  H     13.87112138     11.90269714    -14.31136220
  O     13.89788647     10.96557574    -11.49252770
  H     15.51609748      5.78589895     -7.62268461
  H     12.57191425     12.73954638    -14.28033262
  O     18.41533932      6.07283314    -11.57863747
  H     14.91853460      6.71247399     -8.70888080
  H     12.04552956     10.19018290    -14.17545607
  O     16.88777170      7.43114015    -15.72624795
  H     17.62695054      9.46270694     -9.58102195
  H     12.06807346      8.85655421    -14.94531598
  O     15.55769783      3.42413573    -15.36566323
  H     18.14559903     10.86328017     -9.18205550
  H     14.48495216      9.18819423    -16.53023994
  O     14.51592729      6.00736291    -15.39550521
  H     16.05755225      7.51609706    -12.84692744
  H     15.39939983     10.28499216    -15.92799525
  O     16.76005632      3.07428458    -12.96637378
  H     17.56692270      7.37544853    -12.53551586
  H     12.20401129      8.60039478    -12.55208128
  O     13.70131180      7.83622757     -9.10776960
  H     13.45545492     11.38772571    -12.23699710
  H     13.14332967      9.27225449    -11.54651953
  O     18.03072568      4.88363173    -15.80896727
  H     14.81082281     10.80316168    -11.77009424
  H     15.37525039      5.43351294    -11.54851528
  O     12.94878342     11.90492305    -14.01089268
  H     18.87820980      5.49726300    -12.19926226
  H     15.82335329      5.17398612    -10.08497818
  O     11.70410790      9.28821216    -14.16257880
  H     17.59505202      5.61189457    -11.34361808
  H     18.22053403      7.21476389    -10.08418321
  O     15.37355282      9.56375903    -16.56607580
  H     17.01547038      7.65217921    -14.79245701
  H     17.12136425      7.23290462     -9.00507050
  O     12.71660695      8.42846809    -11.74893007
  H     16.47826662      8.20298384    -16.14219990
  H     20.16848568      3.83233659    -13.71162875
  O     15.95320522      4.88480914    -10.99666973
  H     15.31091483      2.57569533    -15.72354424
  H     18.94356433      4.51240137    -14.36677796
  O     17.83439043      7.75955414     -9.38712334
  H     15.92875024      3.25632993    -14.48037653
  H     13.85438681      7.19307858    -12.34085839
  O     19.33827287      4.25712899    -13.51370337
  H     15.34470403      6.48655368    -15.54889138
  H     14.36899269      6.35212529    -13.56825084
  O     14.53897683      6.58176374    -12.64671298
  H     14.73649232      5.06762582    -15.42274249
  H     16.70513109      9.62319358    -12.59873117
  O     16.54939646     10.54116730    -12.32837864
  H     16.42195495      3.56711538    -12.20618070
  H     16.93497390     10.63071788    -11.44713230
          69
 Energy    -248.32648875962929     
  O     21.37543768     11.79579570    -17.98935260
  H     21.52343908     12.73223785    -17.76594632
  H     19.72439166     12.07495856    -18.91863258
  O     15.63787601     17.44375077    -14.91453470
  H     22.15591964     11.49366051    -18.44581743
  H     21.10808155     16.64325162    -14.92045549
  O     21.93204210     14.92871102    -14.51828810
  H     15.10310643     18.23278660    -14.87309956
  H     19.78736197     17.37403412    -14.64239396
  O     15.53997659     12.70781626    -14.27215893
  H     15.99834231     17.40321639    -15.81804348
  H     17.60465973     13.78858381    -12.06280047
  O     17.14758309     11.29200855    -17.17327845
  H     22.66651914     14.78673947    -13.92626151
  H     16.98662196     12.84375746    -13.13020083
  O     18.48417349     10.41901628    -11.62203912
  H     21.26920440     14.24868243    -14.30930769
  H     18.35026311      9.60382721    -13.24806846
  O     15.73320459      9.99156546    -15.06197783
  H     15.62217025     13.11626936    -15.14701100
  H     18.84054322      9.75366145    -14.71320205
  O     21.67491316     14.39731428    -17.29811643
  H     15.48416369     11.75772945    -14.43325556
  H     16.57242093     15.18485627    -19.39485699
  O     19.51300222     16.32323557    -17.52716112
  H     16.61268361     10.73136417    -16.59932588
  H     15.09535334     15.35291359    -19.83524901
  O     15.00885394     15.26758309    -13.13026121
  H     16.75082584     12.17349535    -17.11915771
  H     17.29709548     17.21272259    -14.11504251
  O     19.96733764     13.05145496    -14.16028776
  H     18.34726776     10.29626442    -10.68611785
  H     17.94798866     16.46921595    -12.92517683
  O     18.84433741     12.29547887    -19.24522052
  H     18.19287918     11.32222135    -11.82134185
  H     16.30095266     16.75170400    -18.00709125
  O     20.56845050     17.38926260    -15.21078660
  H     15.15007813      9.23768941    -15.06644171
  H     17.69305382     17.18863805    -17.51029907
  O     17.72522914     12.94381378    -12.51256953
  H     16.58413931      9.68762533    -14.69545228
  H     16.30973943     15.44787108    -12.00618913
  O     18.17846034      9.32371255    -14.15824795
  H     21.89279434     14.58880921    -16.37730469
  H     16.92230854     15.82109637    -10.63085645
  O     15.66621549     15.35421418    -19.07274792
  H     21.04069952     15.07342791    -17.55895602
  H     20.31842649     11.13694176    -16.61805704
  O     18.13895111     16.87390467    -13.78009221
  H     19.06534685     15.66111217    -16.97579751
  H     18.78865510     11.11133307    -16.37479438
  O     16.75010175     17.32823735    -17.37494530
  H     19.96856598     16.89153924    -16.88830063
  H     18.23094113     15.48469013    -14.97738918
  O     17.14373171     15.50385722    -11.50202324
  H     15.01854039     14.38701086    -13.52688648
  H     18.89450992     14.10632453    -15.21110554
  O     19.64595122     10.98759513    -15.94148671
  H     15.10533074     15.90916235    -13.84505892
  H     18.80968372     15.46265243    -19.13227620
  O     18.30370380     14.75642482    -15.60904060
  H     19.92212630     12.27046964    -14.73095786
  H     18.48623133     14.01420069    -19.60005270
  O     18.23141349     14.94434584    -19.70202067
  H     19.26130331     12.97753450    -13.50472282
  H     16.83711979     14.20799065    -16.39879290
  O     16.03238224     13.79997179    -16.75747207
  H     18.22452374     11.82753006    -18.67289459
  H     15.78150981     14.29953432    -17.54211321
          69
 Energy    -248.32648550052386     
  O      3.34855994     -4.15833164     -3.46217056
  H      4.10746704     -4.16879572     -2.85143050
  H      3.43083775     -1.01170095      3.82182702
  O      0.65101784      0.81365719      0.55631209
  H      3.70307748     -4.23704103     -4.34392790
  H     -0.20740724     -6.56790109     -1.87396817
  O     -0.86314830     -3.49814643     -1.36533899
  H      0.41391022      0.26643370     -0.21482499
  H     -1.74325360     -6.50922834     -1.77020367
  O      1.97962256     -4.78531958      4.33608486
  H      0.20662791      1.64968839      0.44525956
  H      3.34286647     -5.68624221      0.60855423
  O      4.64842760     -2.73269520      1.79756083
  H     -0.13674113     -4.06942349     -1.65105025
  H      1.84078134     -5.83417381      1.07445542
  O     -3.10842089     -5.57914931      0.99340041
  H     -1.68137498     -3.95492621     -1.59789959
  H     -0.98026687     -3.58966902      0.46060625
  O      0.44229090     -5.83453408      2.24188798
  H      1.85954386     -5.31365701      5.12268715
  H     -0.74776593     -2.86120612      1.80534812
  O      0.12687302     -0.83535869     -1.52252553
  H      1.42953096     -5.20257831      3.65672024
  H      0.37803299     -0.60824155      1.73721223
  O      5.00555139     -1.26362454     -0.58363562
  H      4.66284884     -2.02360688      2.45112439
  H      1.04079002     -1.99209151      1.59806263
  O      2.67150247     -1.80363427     -2.02873057
  H      3.74890356     -2.73842708      1.43255626
  H      2.10227789     -2.93178366      4.36212402
  O      2.18168391     -2.88761633      0.54488669
  H     -2.59310836     -6.38277971      1.13224161
  H      1.39490659     -1.74430771      3.67273512
  O      4.18475019     -0.52640858      3.43767888
  H     -2.54230420     -4.85335012      1.29288097
  H     -1.07586624     -7.56983821      0.09109641
  O     -0.97993193     -7.06989946     -1.58325997
  H     -0.07244219     -5.04809103      2.00413822
  H     -1.36702689     -8.69072965      1.11596616
  O      2.42255603     -5.66258251      0.32069440
  H     -0.07580651     -6.59341528      1.94502112
  H     -3.23623273     -5.30645005     -0.74008021
  O     -1.09280898     -3.67590434      1.41849338
  H     -0.34247138     -1.67762567     -1.48033943
  H     -3.99146846     -5.10755262     -2.07720968
  O      0.41492784     -1.48367656      2.13999001
  H      1.01233744     -1.05383250     -1.84662409
  H      5.05304321     -4.38414757      1.36419111
  O      2.09217106     -1.96743766      4.30475228
  H      5.07790219     -1.81568690      0.20662421
  H      5.82060415     -5.72717863      1.41143402
  O     -1.19920736     -7.75540058      1.03963233
  H      4.57210436     -0.46226111     -0.24843915
  H      2.57711093      0.70512390      0.74106068
  O     -3.11953276     -5.16611246     -1.69706385
  H      3.51883454     -1.53530657     -1.64698465
  H      3.69381291      0.30765874      1.73269197
  O      5.14659444     -5.25193978      0.93261930
  H      2.84625698     -2.54272402     -2.62299820
  H      1.84941453     -4.98161533     -2.68356094
  O      3.53015154      0.58372880      0.82251469
  H      2.18685831     -3.84640677      0.43508063
  H      1.62972857     -5.52705317     -1.25619621
  O      1.17080803     -5.30794107     -2.08184712
  H      2.26628626     -2.49857194     -0.33481605
  H      5.41481805     -3.00511358     -1.39356758
  O      5.35878751     -3.93419654     -1.65008102
  H      4.59086961     -0.04009958      4.14945544
  H      5.36205111     -4.44567591     -0.83278623
          69
 Energy    -248.32639955040526     
  O     13.28104131     13.61084755    -15.39933760
  H     12.86007800     14.08183213    -16.11358620
  H     14.38777226      6.75737154    -15.44170351
  O     16.82770686      6.38390962    -13.38145138
  H     13.83770523     12.93343065    -15.81750495
  H     17.71553792      9.62721115    -13.88563672
  O     18.46046537     10.36501361    -10.45164857
  H     17.16139601      6.59569605    -14.25947954
  H     19.22085029      9.96063878    -13.84786578
  O     18.20519719     12.91357366    -14.03658059
  H     15.90186200      6.13940393    -13.50488741
  H     17.83788083      9.09505955    -19.25291429
  O     14.03492759      5.88974936    -13.83458245
  H     19.02338202     10.63275362    -11.18799578
  H     16.54803511      9.23529839    -18.41113479
  O     14.33287148     10.25391104     -9.83812776
  H     18.12030703      9.48343035    -10.65747996
  H     16.14842745     10.85524294    -12.71074193
  O     13.12343921      7.52953811    -11.87041778
  H     17.97652374     12.58205797    -14.91234001
  H     16.40343834      9.35932236    -12.26683103
  O     13.19703597     13.22129489    -12.71308503
  H     17.38558276     12.93785673    -13.52371488
  H     15.77597708     11.54165614    -16.35011395
  O     14.81150021      9.31461293    -18.19476618
  H     13.59079363      5.05316921    -13.72340698
  H     14.49974651     10.90266668    -15.73329964
  O     14.78729591      7.62759634     -9.56313980
  H     13.66988916      6.49003368    -13.16063998
  H     16.34095730      7.79090313    -10.58382052
  O     17.49746954      7.55946953    -15.99904215
  H     13.85936847     10.38348878    -10.67078496
  H     17.06864289      7.40256021    -11.91005140
  O     14.69087869      7.37313120    -16.12137942
  H     15.02485929     10.92223991     -9.78439079
  H     12.80185313     11.37752841    -12.35576712
  O     18.54974729      9.50598039    -14.36780887
  H     12.86689468      8.45477771    -11.94849548
  H     13.18428402     10.10899052    -13.12469665
  O     17.52050827      9.21126305    -18.36151960
  H     13.64522509      7.46445150    -11.06048908
  H     16.14174845     12.60128818    -11.41422164
  O     16.22624532      9.94276543    -13.01667120
  H     12.71703914     13.93894210    -12.30751596
  H     15.02067644     12.88975390    -12.46148989
  O     14.81009314     11.55848708    -16.37718081
  H     13.18452863     13.38334012    -13.67296163
  H     19.38084078     11.93829500    -13.16159348
  O     17.05277564      8.04482264    -11.18394212
  H     14.65603616     10.13334611    -17.70730672
  H     20.83582440     11.66102241    -12.71341805
  O     12.86217502     10.41942572    -12.26437227
  H     14.59690414      8.59197170    -17.58919959
  H     16.78541936     12.55695556     -8.92255649
  O     15.94697188     12.63951935    -12.36091146
  H     14.61708853      8.58872091     -9.55832939
  H     17.25775884     11.46759412     -9.91759055
  O     19.95637097     11.29274291    -12.71298609
  H     14.63067842      7.31217732     -8.67764334
  H     17.66953458     10.71491548    -17.14759899
  O     16.52948243     12.08179972     -9.70797255
  H     17.96095328      8.16771170    -15.40334041
  H     17.96629100     10.68459484    -15.64974857
  O     17.60665483     11.25099012    -16.34771340
  H     17.59702685      7.95384763    -16.87402104
  H     14.17256254      8.80998764    -15.12839039
  O     14.07810890      9.60749189    -14.59426053
  H     15.65761469      7.39738274    -16.06182872
  H     14.86987332      9.66001465    -14.03275967
          69
 Energy    -248.32629661190438     
  O     10.45372701     10.27522018    -12.02927574
  H     10.09551594      9.80276128    -12.79131471
  H     18.13145942      6.84596873    -14.16013208
  O     14.03180006      7.09113393    -15.05912651
  H     11.27219168     10.68790848    -12.33369096
  H     15.30021583     12.04919067    -14.82632160
  O     17.47768126     10.22685800    -11.06880809
  H     14.68834776      6.91455954    -15.74554722
  H     14.88402558     13.54014335    -14.80937185
  O     12.24238085      9.19663676    -15.16134613
  H     14.49795128      7.67847731    -14.44132614
  H     15.22021926      9.10980531    -12.66548040
  O     15.38668133      6.09804666     -9.53569883
  H     16.50715734     10.25365712    -11.06779774
  H     15.89977092      9.36447938    -14.03372500
  O     13.12465830      5.97100949    -12.69238685
  H     17.76806580     10.94914670    -10.51582246
  H     10.07536555      8.55376717     -9.37142496
  O     14.70019581     10.07176321    -11.22468395
  H     12.77867258      8.39323158    -15.21297095
  H     10.55747509      9.11005983    -10.73454288
  O     15.96937359      9.84747097    -17.62205111
  H     11.34189397      8.93735479    -14.93034135
  H     11.29676567      6.25228025    -12.49604642
  O     15.29673699      4.49468992    -11.69570641
  H     16.20771868      6.60231235     -9.63872430
  H     10.40828876      7.05976720    -11.52335482
  O     16.52734822     10.81016590    -15.04430109
  H     14.66337512      6.71927029     -9.68736601
  H     18.76174200      9.02897088    -14.02512295
  O     16.27763664      7.16855600    -16.67391441
  H     13.38075494      6.24860693    -13.58295398
  H     18.37253243      9.91936538    -12.80497743
  O     18.61245516      7.28739033    -14.88153592
  H     13.79012065      5.33887850    -12.39334819
  H     16.47359290      7.17390040    -13.02607730
  O     14.53678065     12.65254596    -14.78537121
  H     14.24575420      9.30330522    -10.84782552
  H     16.47189578      5.68298122    -12.56566749
  O     15.54745596      8.67253859    -13.46015507
  H     14.06597903     10.51449800    -11.80673321
  H     17.63055897      7.06455032    -11.16617277
  O     10.64595376      8.36620284    -10.11137198
  H     16.21225026     10.12770160    -18.50061785
  H     17.69155724      8.42366328    -10.45690512
  O     10.40456112      6.60462160    -12.37425399
  H     15.07426368     10.19352497    -17.45462565
  H     13.01515193     10.31841107    -16.40418145
  O     18.70870462      9.93995985    -13.70970262
  H     15.42784415      3.57384304    -11.48840541
  H     13.78150529     11.64775279    -16.30040996
  O     17.04043825      6.40550031    -12.85618635
  H     15.33604436      4.98548096    -10.85319648
  H     12.43559448      7.97600873    -10.25756453
  O     17.68063565      7.47399704    -10.29257462
  H     17.39543486     10.62111511    -14.65713508
  H     13.27483283      7.20916902    -11.31098622
  O     13.58050229     10.92364963    -16.90442062
  H     16.50352355     10.47180240    -15.94841355
  H     13.40640960     11.72561615    -13.63292914
  O     13.34023018      7.78265717    -10.53451807
  H     17.08508649      7.20005310    -16.14849875
  H     12.73776367     10.34647674    -13.81024844
  O     12.93984225     11.02971736    -13.15382101
  H     16.19152927      8.04169706    -17.07761028
  H      8.88059644      8.31182323    -14.58187483
  O      9.72029352      8.50588873    -14.17472629
  H     19.38548125      6.75622887    -15.05867506
  H      9.92334242      7.76431020    -13.57614381
          69
 Energy    -248.32619308876127     
  O     14.59375805      4.47713014    -15.55393861
  H     14.78487045      5.39602012    -15.77983731
  H     15.53190897     10.31803265    -15.74512224
  O     19.08819110      6.51937772    -10.65025970
  H     13.74464502      4.49449559    -15.09444281
  H     16.53941425      7.99474803    -13.18143978
  O     15.01914066     11.34966719    -10.34228915
  H     18.74046657      5.96768427    -11.36252693
  H     15.49679299      8.33202531    -12.06086442
  O     18.86484813      9.42783338    -14.41543123
  H     19.10186275      7.42877430    -10.97761531
  H     12.89809396      4.29464238    -13.11658410
  O     16.18956670      3.00706070    -13.91078461
  H     14.80472858     11.61873249    -11.24303001
  H     11.50986425      4.18439967    -13.79114978
  O     13.91888127      9.29105979     -9.00845633
  H     15.97980348     11.33631705    -10.25639822
  H     18.20660288     11.55657711     -8.98482483
  O     17.47316427      6.19925580     -8.52089756
  H     19.08032336      9.40513755    -13.47275628
  H     17.43480228     10.21974170     -9.07354805
  O     14.12117598      7.55540402    -11.17395463
  H     18.18606042     10.10809008    -14.50124761
  H     16.20287279      5.58673901     -9.75773407
  O     16.65140786      8.89933708     -8.25267332
  H     15.68236237      3.52180282    -14.56421974
  H     16.35248470      5.31472122    -11.27361476
  O     14.97436284      7.27957066    -15.68864779
  H     16.46345577      2.20445248    -14.34631841
  H     16.30831353     10.09612608    -13.66214249
  O     17.58510967      5.07598319    -12.59582069
  H     14.25272623     10.07775304     -9.47963328
  H     15.77146011     11.51470846    -13.87095686
  O     14.96201989      9.98002052    -16.45708040
  H     13.20999356      9.58515113     -8.44335103
  H     18.63618125      9.86602524    -10.90090067
  O     16.23143710      8.68288249    -12.57587272
  H     18.12157102      6.31682877     -9.24051788
  H     17.84956044      8.97641430    -11.86166109
  O     12.32672950      4.67555679    -13.80791523
  H     17.90580418      5.69112345     -7.84009102
  H     13.69179796     12.91213738    -13.06270314
  O     17.78652426     10.96136799     -9.60033075
  H     14.61895759      6.77189294    -10.89855106
  H     13.69331739     11.40426557    -13.40141259
  O     15.70225126      5.39346026    -10.55908973
  H     13.96570345      8.10394705    -10.39536313
  H     12.64140237      6.51319134    -13.76408643
  O     16.36532433     10.86105239    -14.25810123
  H     15.69814288      8.92544585     -8.39800564
  H     13.34634789      7.46931955    -12.77457922
  O     18.75123599      9.17689328    -11.56531335
  H     16.91580172      7.97264938     -8.29965175
  H     14.54611227      4.15746871    -11.39159622
  O     14.20083073     12.11156187    -12.96439390
  H     14.96408486      8.14238354    -16.11946007
  H     14.80248747      3.25434678    -12.60948405
  O     13.01679696      7.39855821    -13.68286900
  H     14.32555488      7.32835627    -14.97055881
  H     13.46415371     10.10731179    -15.20041335
  O     14.10020398      3.60815371    -12.04876734
  H     17.61119994      5.74486676    -13.29721436
  H     12.83322285      9.22081880    -14.11356440
  O     12.95299749     10.14083030    -14.38302307
  H     17.23732288      4.27587360    -13.00761841
  H     16.66885828      7.10439819    -15.04041044
  O     17.45066424      7.03883577    -14.47540211
  H     15.18548547     10.46747037    -17.24559247
  H     18.01638375      7.81182173    -14.61759774
          69
 Energy    -248.32618398991931     
  O     12.59789529     11.88950731    -16.80781208
  H     13.26368180     11.72255986    -17.48668297
  H     15.66804093     10.99957239    -17.17055585
  O     18.59776089      9.93054880     -9.87468981
  H     13.08355389     12.10695413    -16.00205362
  H     15.05895034      7.70565347    -12.74397529
  O     18.04930214     11.31341845    -14.33407509
  H     17.75314847     10.19775909    -10.27259481
  H     15.71577920      8.55317535    -13.86520111
  O     14.76125015      4.67228443    -14.73176777
  H     18.51400663     10.10782504     -8.94076512
  H     11.50690770     10.52027941    -16.86588049
  O     14.56279202      8.80087722     -9.56502412
  H     17.51285893     11.24860160    -15.13634026
  H     10.13018014      9.92680638    -17.25063934
  O     14.53880788      5.99648683    -12.33082344
  H     18.37806393     10.42464878    -14.15658201
  H     18.59185692      8.41950393    -10.89800206
  O     13.03430849     10.11420930    -12.97969831
  H     14.51167616      3.86660349    -15.17699638
  H     17.63436829      7.23004932    -11.09233998
  O     13.26783410      8.58527484    -18.32832087
  H     14.52498731      5.39541934    -15.33426906
  H     11.82235673      7.19265454    -13.20540932
  O     16.11115897      6.45568604    -10.17622338
  H     15.09407394      9.49885639     -9.97181860
  H     11.85776918      7.54442444    -11.69968262
  O     16.44596880      8.36173295    -15.50998565
  H     15.08033666      7.99225730     -9.66023867
  H     17.05602842     12.27992449    -13.29406046
  O     14.14947262      6.96546138    -16.17084685
  H     14.67753750      5.45348425    -13.11856054
  H     16.77110022     13.60573533    -12.54696925
  O     16.05443283     10.97388140    -16.28663869
  H     13.59046967      6.18753080    -12.27033818
  H     18.62658509      8.21153505    -13.13726458
  O     15.30954379      8.60517049    -12.99171050
  H     12.59251939      9.92898789    -12.14265578
  H     19.69726322      8.26880947    -14.24667827
  O     11.00457615      9.69023333    -16.95378167
  H     13.85756268      9.59875960    -12.96806932
  H     16.00877175      9.78818664    -11.77726722
  O     18.37158399      7.69522881    -11.50163966
  H     12.41450190      8.85840652    -17.96890032
  H     16.16794595     11.32151711    -11.59705934
  O     11.93553493      6.81258857    -12.32424284
  H     13.61173383      7.92217504    -17.71602473
  H     14.73824488     11.10652265    -19.57813895
  O     16.38622086     12.76392886    -12.77592909
  H     15.54846593      6.18452318    -10.92283546
  H     14.16230745     10.05332716    -18.60007510
  O     18.80756007      8.54036376    -14.03579044
  H     16.24108048      5.67952718     -9.63683972
  H     12.92615566      8.95746853    -10.14728473
  O     16.17869795     10.48248869    -11.12265907
  H     16.33285393      9.25939049    -15.85558703
  H     11.45223717      9.32918291     -9.86208819
  O     14.58610821     10.92923764    -18.65419892
  H     17.32393148      8.31210189    -15.10922010
  H     14.88219938     12.47066336    -13.89467212
  O     12.05305820      9.08422643    -10.56035185
  H     14.98454693      7.41710202    -15.97633133
  H     13.71603497     11.45735363    -13.94363821
  O     14.21991618     12.08625005    -14.48167659
  H     13.45460390      7.38002992    -15.63843144
  H     11.57526897      8.66989965    -15.50977239
  O     12.05785070      8.24204255    -14.79177069
  H     15.39308549     11.33936971    -15.68134475
  H     12.35411505      8.95161613    -14.20412949
          69
 Energy    -248.32606362367824     
  O     14.18786122      9.16798697    -10.66158980
  H     14.80536757      8.58801547    -11.13579512
  H     17.83786772      4.52841931    -12.10711219
  O     13.43491825     10.26172296    -16.72555186
  H     13.81940194      9.74133243    -11.34337144
  H     20.18131667      7.80738919    -14.86694909
  O     16.46887193     10.70242709    -13.48392766
  H     13.24095872      9.52587992    -16.12828412
  H     18.67391602      8.15205577    -14.83877629
  O     13.73190367      4.90930159    -13.47003752
  H     13.23075549     11.06272556    -16.22843515
  H     12.91087120     13.42711939    -15.06143954
  O     16.85014444      7.62092086     -7.80924683
  H     15.53661444     10.60010860    -13.24595146
  H     14.25252402     12.67049374    -15.21583748
  O     15.97965731     12.51700401    -15.57699742
  H     16.97685236     10.81963791    -12.67311156
  H     13.97233985      7.78286650    -14.77183608
  O     15.95008437      7.51328450    -11.99386164
  H     14.36589974      5.37500034    -14.02529548
  H     12.46774212      7.74877414    -14.40469462
  O     13.70057537     10.50442713    -13.08861490
  H     14.13018964      4.87016479    -12.58865732
  H     16.05138665     10.43519587    -18.49542222
  O     18.67389777      8.20393605    -11.67446498
  H     17.45843970      7.14560074     -8.40290912
  H     15.06529399     10.30455554    -17.31054194
  O     18.03272217     10.87937749    -11.15056953
  H     17.15307541      7.46155025     -6.91938662
  H     10.83861979      6.27435066    -13.00545765
  O     17.92401999      5.28583536    -13.71322337
  H     16.27261028     12.00362466    -14.81082372
  H     12.19083671      5.81526140    -13.57993706
  O     17.74875332      4.16762047    -11.20778475
  H     16.09773170     11.93329148    -16.33590008
  H     15.18054519      7.06081467     -8.50853977
  O     19.38261820      7.69153196    -14.35842715
  H     16.88333344      7.68531175    -11.82062153
  H     14.09241385      7.60682294     -9.45040862
  O     13.30918066     12.56331748    -14.99980876
  H     15.70916794      6.66584522    -11.59292831
  H     15.92827667      4.64434967    -10.88655681
  O     13.17531398      8.32344661    -14.73268915
  H     13.46748181      9.72345922    -13.61294615
  H     14.80329517      5.52417149    -10.20420847
  O     16.00808300     10.39019905    -17.54431146
  H     13.44824432     11.27185562    -13.61576185
  H     18.69090834      7.02784983    -10.26856657
  O     11.47237916      6.46099550    -13.69265358
  H     18.57892762      9.15192127    -11.51423490
  H     18.29152546      5.55792401    -10.04545779
  O     14.39793615      6.80284426     -9.01241302
  H     19.02188239      8.08360772    -12.56611223
  H     15.67776271      7.10399243    -13.66583054
  O     15.06884488      5.06217414    -11.01485465
  H     17.45105111     10.62975795    -10.40789968
  H     16.14450426      7.48165824    -15.08787649
  O     18.47921812      6.38162832     -9.58053411
  H     18.53442904     11.63856860    -10.86744778
  H     15.54321875      9.85944479     -9.63067546
  O     15.61395373      6.83873491    -14.60012689
  H     18.56049066      5.97855352    -13.92504732
  H     16.59199834      9.29009836     -8.65205482
  O     16.39285295     10.05207201     -9.20925714
  H     17.09551394      5.59052240    -14.09983514
  H     16.89636569      9.38352194    -16.28216255
  O     17.21944686      8.95783889    -15.47843544
  H     18.06677943      3.26899884    -11.24222171
  H     16.97545394      9.54027075    -14.74160732
          69
 Energy    -248.32605313063021     
  O      1.59311831     -7.57513955      4.02258949
  H      2.51440135     -7.84577788      3.95103849
  H      4.97488616     -8.69409780      3.72934878
  O      2.66007877     -3.37429613     -1.25674962
  H      1.44321523     -6.93899849      3.30422454
  H      1.28487307     -6.49316992      1.15274454
  O      4.24564504     -7.52660622      0.75842331
  H      3.59688417     -3.46321286     -1.47187391
  H      1.62014965     -5.07994608      1.73492548
  O     -0.92608225     -8.75391359      0.50647614
  H      2.60630618     -3.30647161     -0.29458501
  H      0.70612055     -5.67425936     -2.35247003
  O     -1.42428393     -4.81566421      2.02047493
  H      4.37678147     -6.57282260      0.86674958
  H      1.97950997     -5.01709398     -1.79230473
  O     -1.98459265     -6.39555360     -0.23173907
  H      3.32089367     -7.67835261      0.51024929
  H     -0.76707031     -3.15774956      1.64729948
  O      1.61441552     -7.74862579     -0.07516471
  H     -1.36797377     -7.93331804      0.21886958
  H     -0.05344083     -1.91229679      2.25235147
  O     -2.12144898     -6.05283144      4.42086579
  H     -1.43972672     -9.48038817      0.16316995
  H      0.51749442     -0.82628962      4.61502486
  O      2.33930089     -3.37659362      1.56087944
  H     -0.55002756     -5.23586871      1.99323953
  H      1.28852343     -2.06835025      4.14617132
  O      4.62748228     -5.15979357      3.90994243
  H     -1.82540528     -5.10756966      2.84813301
  H      0.86874539     -2.70452788     -1.49022716
  O      4.76218448     -4.76765124      1.09247923
  H     -1.93171460     -5.78083523      0.51241521
  H     -0.23869220     -2.42105290     -0.45193303
  O      4.33863612     -8.02418647      3.49111515
  H     -1.71883514     -5.90313707     -1.01690864
  H      0.95784662     -6.15476290      5.08692889
  O      1.11639502     -5.88673204      1.88564526
  H      0.78050566     -8.21681842      0.06098419
  H     -0.38955987     -5.42308691      5.10980165
  O      1.61428930     -5.86367895     -2.08615091
  H      1.52159947     -7.16413221     -0.84194453
  H     -0.76652725     -4.07763672     -2.09289894
  O     -0.22936660     -2.38330638      1.42480077
  H     -1.80303359     -6.90442655      4.06979958
  H     -1.53695397     -4.74432996     -3.25712978
  O      0.63422852     -1.40905941      3.86884599
  H     -2.87097048     -6.24820884      4.97633455
  H      3.22630023     -4.05536301      4.32275695
  O     -0.08836823     -2.64395143     -1.38034355
  H      1.46955240     -2.97561147      1.41178129
  H      1.71275817     -4.12802616      4.67818520
  O      0.54547492     -5.30926309      5.31151613
  H      2.45652824     -3.38727040      2.52405936
  H      3.46188542     -6.52791009     -2.22883105
  O     -1.02390404     -4.93574492     -2.47641395
  H      4.54037107     -6.11880200      3.95377366
  H      4.46348191     -7.13149791     -1.22021921
  O      2.39688721     -3.55794507      4.29245261
  H      4.92321440     -4.98126923      3.00861452
  H     -0.10625347     -8.25319862      3.66603669
  O      4.40348801     -6.62517246     -2.03863833
  H      3.97473129     -4.23042869      1.24892765
  H     -1.00379710     -8.51627777      2.43644878
  O     -1.02813137     -8.32135082      3.37970525
  H      5.12489637     -4.47901353      0.24612746
  H      5.10729527     -5.03160436     -1.84646693
  O      5.36147987     -4.12443191     -1.59720016
  H      4.35978129     -7.95274820      2.52289288
  H      6.12109497     -3.89129262     -2.12332985
          69
 Energy    -248.32588518120244     
  O      1.06105797     -1.12881890      5.23021832
  H      1.48479431     -1.26656410      6.07434550
  H     -2.75612573     -1.26283585      5.09860401
  O      1.91591338     -0.23675626     -2.60120205
  H      0.66455692     -0.24027594      5.26615177
  H     -0.75605550      1.15198294      2.50613731
  O     -1.52164405     -2.54428468      5.19789279
  H      1.93663042     -1.19724657     -2.49892525
  H      0.57643769      1.74870616      1.99337902
  O     -0.31516611      0.29843496     -0.87155445
  H      1.08879988      0.04942586     -2.19362288
  H     -1.80537612      1.25191265     -0.87396805
  O      2.00995060     -2.98402372     -1.79830487
  H     -0.62570613     -2.20109258      5.09914626
  H     -2.85589438      2.03505143     -1.69270210
  O      3.58026720     -2.05566819      0.23016504
  H     -1.69365457     -3.13123033      4.45166216
  H     -2.41751136     -0.34484425      1.78998992
  O     -4.09444181      3.20297937      3.71679983
  H     -0.48500423     -0.65474869     -0.85052329
  H     -2.21199507     -0.40487531      3.32136644
  O     -0.06268429      1.34972249      5.23836920
  H      0.35405854      0.48763594     -0.19987021
  H     -0.35727916     -2.53271410      0.20940769
  O      3.86242488      0.58145569     -0.88297414
  H      2.57579142     -2.73160384     -1.04681167
  H      0.24854424     -2.75999901     -1.19325039
  O     -5.09544089      0.58596307      2.93588611
  H      2.41891956     -3.74203167     -2.20729814
  H      1.44419556     -1.89333471      2.33817804
  O     -2.45237580      3.25948500      1.58961379
  H      3.25780938     -1.91990557      1.13001426
  H      2.03771906     -1.23150482      3.57469365
  O     -3.31577809     -0.53101386      4.79833193
  H      3.84613058     -1.18469581     -0.09083935
  H     -3.22123209      2.48369511      5.14257211
  O     -0.20326559      1.95062043      2.52591183
  H     -4.66445744      3.96654453      3.67785677
  H     -3.10453246      2.43197181      6.68155353
  O     -2.65999216      1.71302463     -0.81629046
  H     -3.50969931      3.25382890      2.93853055
  H      2.53372663      0.89385148      0.39628274
  O     -1.74125789     -0.33764236      2.48013864
  H     -0.00417046      1.69153866      4.33503214
  H      1.94539209      0.09320566      1.58659535
  O     -0.55223804     -2.47090634     -0.73891222
  H     -0.93115125      1.61719300      5.55808100
  H     -2.46979928     -5.06827466      2.92028053
  O      2.21283289     -1.38142168      2.63876203
  H      4.54692085      1.10851350     -1.28516933
  H     -2.59117584     -3.78924769      2.06267724
  O     -2.77396649      2.03569908      5.87873973
  H      3.23035035      0.35024023     -1.58717626
  H     -0.66376908     -1.71959489      2.17672048
  O      1.76746879      0.82433705      0.97734326
  H     -4.88938553      1.50217489      3.15108823
  H     -0.66936224     -3.25865043      2.29267349
  O     -2.16261254     -4.16838763      2.85157992
  H     -4.63654707      0.06361080      3.60939816
  H     -3.50293035     -2.18375615      0.54424406
  O     -0.14253486     -2.51453932      1.97723422
  H     -2.58731823      2.81800623      0.74371037
  H     -2.34650951     -2.97153464     -0.09041184
  O     -3.08563420     -3.05620215      0.52378491
  H     -1.59185066      2.95335035      1.91109239
  H     -3.61653555      0.35839081      0.10104514
  O     -3.87258691     -0.37206901      0.67563240
  H     -3.10445888      0.24865245      5.32512570
  H     -4.42517907     -0.01716333      1.39004446
          69
 Energy    -248.32551351341877     
  O     -7.67188722     -2.52325249      5.94513515
  H     -6.94553581     -1.99700759      6.30405530
  H     -7.39856236      0.38951580      2.69643413
  O     -9.34360335     -2.73893214      2.52924047
  H     -8.39871705     -1.91925539      5.76444432
  H     -4.86371323     -1.21769667      7.59624703
  O     -7.24715174     -4.17190036      3.84542370
  H     -9.61340084     -2.17783239      3.26540423
  H     -4.83055288     -0.95476332      6.07079348
  O     -5.45504314      0.82471643      0.52336053
  H     -8.69147834     -3.34695856      2.89965972
  H     -1.44647093      3.81921651      1.89386193
  O     -6.74254811      1.27933739      5.91569603
  H     -7.20558469     -5.08695149      4.10911857
  H     -2.90082106      4.18994761      2.27717002
  O     -5.97563760      5.33098231      0.75091018
  H     -7.38748937     -3.64919421      4.65647727
  H     -9.18261702      3.50929997      3.34659199
  O     -3.93046412     -0.84470862      4.58660136
  H     -5.39125557     -0.09974937      0.25294953
  H    -10.35935582      2.52299410      3.26366070
  O     -4.36427641      3.34912529     -0.18830506
  H     -6.39528552      1.01237857      0.63476649
  H    -11.46225310      0.36216360      2.05578816
  O     -9.57542873     -0.71922126      4.55312654
  H     -6.85804978      0.86669460      5.04480686
  H    -10.39718345      0.21009014      3.16213359
  O     -5.64562143     -1.94659812     -0.01619138
  H     -6.27801553      0.61936391      6.44295522
  H     -6.04806468     -3.00596961      3.06421104
  O     -3.89901866      1.38884246      2.83198859
  H     -6.11954373      6.00843014      0.09588883
  H     -5.47388214     -2.26210252      1.81399756
  O     -7.12562525     -0.06204619      3.50251770
  H     -5.42428407      4.64490967      0.33345619
  H     -8.70486289     -1.95041479      1.02929094
  O     -5.41706706     -1.01415111      6.84709292
  H     -3.80467942     -0.03385363      4.07785889
  H     -8.37213643     -0.55516016      0.44675285
  O     -2.34891839      3.51836177      1.83653337
  H     -4.33855776     -1.46610562      3.96784326
  H     -8.60625610      1.56268793      6.18335619
  O     -9.96916686      3.20761066      3.81782134
  H     -3.57215842      3.38991376      0.36254594
  H     -9.74641873      2.23175785      5.38942737
  O    -10.65043377      0.73768969      2.38921405
  H     -4.71175470      2.45405862     -0.08583192
  H     -4.77122575      5.43658048      2.28142542
  O     -5.50947256     -2.25657364      2.77798825
  H     -8.69160286     -0.57951280      4.17458594
  H     -4.62711522      4.63613307      3.58980630
  O     -8.27576949     -1.49838626      0.28653846
  H     -9.71386666      0.01012493      5.17962552
  H     -5.93438976      2.66157484      5.00637289
  O     -9.56137454      1.53870728      6.03963802
  H     -6.61766339     -1.86753291      0.01481331
  H     -4.97722486      2.50296614      3.80143834
  O     -4.14377318      5.20944494      2.97846683
  H     -5.43055938     -2.46910776     -0.78360058
  H     -7.95027198      2.16388916      1.56390333
  O     -5.55094616      3.13573353      4.25793105
  H     -4.42899016      1.13730520      2.06386767
  H     -9.08558990      1.11226068      1.53101958
  O     -8.17824612      1.27788686      1.23841413
  H     -3.23894263      2.02095936      2.51932051
  H     -6.87690273      3.48570881      3.07978634
  O     -7.51989290      3.65818613      2.37648981
  H     -6.54708967     -0.79382736      3.25318115
  H     -7.11934352      4.31413713      1.79288003
          69
 Energy    -248.32515287476724     
  O     10.74139364     10.57628756    -10.50663035
  H     11.59687962     10.44094022    -10.07085182
  H     11.17351497     12.09626510    -17.27709878
  O     14.65449148     10.18570780    -12.99615257
  H     10.07974330     10.55749202     -9.81849401
  H     14.32764161     13.39344657    -13.83359630
  O     17.34937711     13.15009528    -13.88718929
  H     14.34057607      9.48450626    -12.40954497
  H     14.13042731     14.20112320    -15.14435286
  O     15.65224832      6.87760085    -12.64966508
  H     15.54454448     10.42935907    -12.71419681
  H     17.53309368     11.81412567    -15.28695246
  O     10.84863559     12.00909724    -12.93461477
  H     17.89473768     13.93299360    -13.89831624
  H     16.56778738     11.30749601    -16.36817459
  O     12.70513598     14.75397244    -16.07357175
  H     16.46130435     13.42617721    -14.17227085
  H     17.66586550      9.40285447    -15.51137552
  O     14.69765364     11.69192038    -16.65251149
  H     15.53373879      6.82348983    -13.60583522
  H     17.92930689      8.51618985    -14.26836940
  O     13.23405884      9.95248082     -9.34688865
  H     16.46765063      7.37490029    -12.51005446
  H     14.54290795     11.34607813     -9.81243122
  O     13.52137845     12.62232914    -12.44377016
  H     11.01998745     11.29432814    -13.56856248
  H     14.55908316     12.44839653    -10.87114611
  O     13.90708177      9.33119524    -15.45523984
  H     10.71061390     11.59647865    -12.07382297
  H     12.16436357      9.70812121    -15.07798170
  O     17.98898753      8.55704636    -12.34574014
  H     12.66002136     14.22446598    -16.87951762
  H     10.91725983     10.52063156    -15.51579592
  O     10.46806679     11.82248809    -16.67748420
  H     11.87537627     14.59119221    -15.60780494
  H     15.62499133      6.29149147    -16.12591131
  O     14.77677504     13.68630090    -14.63963794
  H     14.40046432     10.83975863    -16.30068913
  H     16.31473333      7.52267772    -15.48548212
  O     17.42226271     11.13011354    -15.95628188
  H     14.70878328     12.32675234    -15.92232359
  H     13.45195138     12.36101125    -17.72609886
  O     17.70571072      8.48466576    -15.20503353
  H     13.38737866      9.56662481     -8.48762236
  H     12.92025101     12.82566604    -19.10088266
  O     15.11466046     12.01242525    -10.20972914
  H     13.45004899      9.26460024    -10.00280987
  H     11.12379092      8.84116766    -13.31223673
  O     11.28702657      9.99517947    -14.79098116
  H     12.56811803     12.55869280    -12.57302004
  H     10.85910178      9.06828930    -11.81181034
  O     15.48096344      7.01655559    -15.52436507
  H     13.87365531     11.73938727    -12.64143634
  H     17.24742994     11.84413999    -12.56130435
  O     12.70455402     12.79448075    -18.17254937
  H     14.21936173      9.64775544    -14.59193106
  H     16.50354826     11.45971700    -11.23738120
  O     11.18833439      8.42015215    -12.44430472
  H     14.34077651      8.48213416    -15.59990055
  H     10.41752981     13.34788101    -14.05077297
  O     17.06903624     11.11948016    -11.94794373
  H     18.77763765      8.37229684    -11.84120086
  H      9.50248451     14.49960195    -14.52090420
  O     10.26481452     13.98261651    -14.76993887
  H     17.73981918      9.47398304    -12.14492881
  H     12.81793041      8.09114763    -11.77698131
  O     13.67460346      8.18031520    -11.33137292
  H     10.27250688     12.59835226    -16.13865066
  H     14.31786285      7.58047297    -11.73708977
          69
 Ord_Energy   -248.325027    
 O    3.39382100      0.153811723     -0.690596700    
 H    2.82597780      0.917282045     -0.886779845    
 H    4.11285257      0.180957377      -1.31710935    
 O   -4.54999447       1.71058810      0.666523516    
 H   -3.72960377       1.23579204      0.854725897    
 H   -4.61490202       2.42644596       1.31030166    
 O    3.52122903     -0.220541120       2.16715503    
 H    3.57576132      -7.98898786E-02   1.21387267    
 H    2.85670376     -0.909110010       2.29402971    
 O   -1.92984521      0.711270511       1.06233978    
 H   -1.72776806       1.65905142       1.13054752    
 H   -1.50397229      0.418888509      0.245345354    
 O    1.23120522      -1.99478221       2.38493180    
 H    1.16717243      -1.93236470       1.41420317    
 H    1.27399170      -2.92336822       2.59714603    
 O  -0.259602964       5.80964661       4.36728096    
 H  -0.100386620       6.50535345       4.99997997    
 H   0.240104377       5.03127766       4.67464209    
 O   -1.27889216       3.31982112       1.33366382    
 H   -1.36216342       4.00739241      0.660952687    
 H   -1.64772475       3.65798545       2.15844655    
 O   -1.12261033       5.44046974     -0.512423337    
 H   -2.07397199       5.58094454     -0.392619491    
 H  -0.625763834       5.87049818      0.199425623    
 O  -0.490492493      0.310882688      -1.26839042    
 H   -1.08661354      0.760121047      -1.88573098    
 H   0.246321961      0.921571851      -1.13298833    
 O    1.21829045      -1.66084862     -0.295364082    
 H    2.03274846      -1.18749583     -0.506244898    
 H   0.511634648      -1.14489686     -0.707082093    
 O   -1.46414983       1.77532244       5.15400791    
 H   -1.85835481       1.26027548       5.85367250    
 H   -1.09238231       1.14056277       4.51815176    
 O    4.48676683E-02   4.06416225      -2.54078078    
 H  -0.362782687       4.59774542      -1.83593714    
 H   0.283838809       4.67018557      -3.23765469    
 O    1.48286629       3.49719429       1.36324227    
 H    1.81505179       2.93986368       2.07884502    
 H   0.517379045       3.41107440       1.38716710    
 O    2.02663326       1.71498227       3.40073633    
 H    2.70578027       1.11846769       3.05512953    
 H    1.19442749       1.22720718       3.33760095    
 O    1.61604190       2.22815323      -1.07080722    
 H    1.65884578       2.68476939     -0.217234075    
 H    1.17672181       2.83427095      -1.67979014    
 O   -4.69539642       4.06773806       2.33228588    
 H   -5.45227003       4.35126925       2.83991742    
 H   -3.92908192       4.11295176       2.92631745    
 O   -2.37502766       4.07728148       3.80492926    
 H   -1.74281871       4.77170086       4.03469086    
 H   -2.13171077       3.28507400       4.30299473    
 O   -1.96977139       2.02218938      -2.80373502    
 H   -1.34507036       2.75753522      -2.81046915    
 H   -2.80524969       2.37680840      -2.47634649    
 O   -4.43183613       2.98767233      -1.72881567    
 H   -5.22950268       2.83003139      -2.22795415    
 H   -4.50763416       2.46607637     -0.909808457    
 O   -3.81160545       5.27487516     -0.145929798    
 H   -4.14511108       4.96724176      0.704535782    
 H   -4.04631853       4.58338451     -0.779458761    
 O   0.503735542       6.15253639       1.59714210    
 H    1.05979753       5.36719608       1.49976873    
 H   0.234903187       6.15500927       2.52266407    
 O   0.856568277       3.48867011       5.20533085    
 H   0.105896600       2.91228127       5.39007950    
 H    1.44899774       2.95692492       4.65618420    
 O  -0.351606429      0.149082243       3.24731874    
 H  -0.938170433      0.287571162       2.48859429    
 H   0.158993930     -0.649032831       3.06000376    
          69
 Energy    -248.32484605776904     
  O     16.87917846     10.21633326    -17.85274837
  H     15.98464631     10.57222566    -17.81712987
  H     21.72501138     10.03071570    -17.26618806
  O     15.50781319      6.26616330    -13.47368781
  H     17.00462788      9.66582933    -17.06389047
  H     17.21148777      7.67529815    -15.82662167
  O     17.23481899     14.31891532    -12.37570422
  H     15.11277269      7.12776551    -13.64761093
  H     18.23199915      8.68859112    -15.23087000
  O     19.88802119      8.90258489    -14.44468799
  H     16.12690780      6.40990383    -12.74681078
  H     13.77356155     11.95621995    -17.87336394
  O     15.02105978      6.56492503    -18.01400423
  H     16.79407711     15.16054611    -12.29708430
  H     14.48324289     11.57676199    -16.55269219
  O     15.03057006      9.02526504    -14.28486383
  H     16.57015389     13.63333541    -12.18032967
  H     16.80916352      8.73560168    -11.66334817
  O     17.77069726     12.62707508    -14.65910961
  H     20.36570789      9.23613722    -15.21392990
  H     15.86245217      9.40323248    -12.67866497
  O     19.36597063      6.44254557    -13.34656987
  H     19.65587609      9.64507159    -13.86836335
  H     14.04538903      7.93950661    -17.12448348
  O     19.32179825      5.12270913    -15.88650280
  H     15.57599267      6.23854912    -17.28367723
  H     13.71895607      9.44930859    -17.01453409
  O     16.64274709      5.88208737    -15.94285480
  H     14.57835660      5.80311852    -18.38066282
  H     19.62124285     13.29370080    -10.33574416
  O     17.45790109      6.98639079    -11.51971612
  H     15.90507552      8.88600602    -14.68742407
  H     18.69312648     13.54567195    -11.53722543
  O     20.89327798      9.74449927    -16.89855351
  H     14.38436701      8.83860597    -14.98384978
  H     18.02172171     10.40256056    -12.47037660
  O     17.34848396      8.60678267    -15.60978951
  H     17.66318463     13.38832517    -14.07852884
  H     19.11746632     11.48662122    -12.19476879
  O     14.26509779     11.25998084    -17.44515622
  H     18.16906982     11.94050895    -14.10282437
  H     15.10715896     12.20199348    -12.95205015
  O     16.46287461      9.59324606    -11.94443430
  H     19.37579825      5.86503678    -14.11745758
  H     15.75415221     11.42195564    -11.79437439
  O     13.62362813      8.60224425    -16.56266033
  H     19.67129516      7.30222723    -13.67315709
  H     18.97307331      7.32795039    -18.17975317
  O     19.38482020     12.95795809    -11.19672362
  H     19.53543309      5.84659119    -16.50518674
  H     20.14721505      8.00812213    -17.43175433
  O     18.81493422     10.82264596    -12.83002050
  H     19.80716418      4.35774349    -16.18226121
  H     15.06440302     10.83924238    -14.64024735
  O     15.44263864     12.29821883    -12.05170804
  H     17.51985503      5.48123176    -15.90857218
  H     16.03550030     12.04033375    -14.88430631
  O     19.73137765      7.15698692    -17.60135243
  H     16.26161835      5.87800475    -15.05174619
  H     18.30663050     11.29006435    -17.46901767
  O     15.10274127     11.77903153    -14.86779612
  H     18.16927271      6.77280145    -12.15118606
  H     18.69029675     12.17228045    -16.26964713
  O     19.05742941     11.72836487    -17.04294899
  H     17.65382614      6.51114746    -10.71658165
  H     17.28367410      8.68160454    -18.84956490
  O     17.44311628      7.75466407    -19.07350577
  H     20.27623626     10.49279717    -16.98772790
  H     16.61505868      7.30663138    -18.86801061
          69
 Ord_Energy   -248.324326    
 O   -4.40180779     -0.905092418       2.18651581    
 H   -4.24700212      -1.08160329       1.24929869    
 H   -4.89814711      -1.64801693       2.55491352    
 O   -8.01548862      0.111308724       3.99269438    
 H   -7.36026955      0.321326405       4.66835880    
 H   -7.95132494      0.811150670       3.33013749    
 O   -3.81811166      -1.44841015     -0.507125735    
 H   -3.98729515     -0.612040818     -0.955793858    
 H   -2.85842085      -1.58883715     -0.464673042    
 O   -4.92435884      -1.94195938       5.80773449    
 H   -5.28107214      -1.04720008       5.72483921    
 H   -3.99051833      -1.82632113       6.01103354    
 O   -5.29935694      -3.71335840     -0.592721760    
 H   -5.30777884      -4.09079838      -1.46871328    
 H   -4.75428629      -2.90693974     -0.640938163    
 O   -1.97284675      -1.36052203       3.41671109    
 H   -2.83585238      -1.17730439       3.01636314    
 H   -1.64092493      -2.16520000       2.99827051    
 O   -7.51340294       2.11880040       2.03659487    
 H   -7.34695387       1.64051211       1.20165944    
 H   -8.05269337       2.87452078       1.82302940    
 O   -6.91330433      0.766712964     -0.173474938    
 H   -7.07699585     -0.184857816      -8.41412991E-02
 H   -6.11180210      0.875105917     -0.694748998    
 O   -2.14318609      -1.16945267       6.12677813    
 H   -1.47212446      -1.73177743       6.50523520    
 H   -2.04047751      -1.22305572       5.16054773    
 O   -3.88996959      -4.46847916       1.75733829    
 H   -4.48673344      -4.10458326       2.42673588    
 H   -4.35456467      -4.35977173      0.919068217    
 O   0.554117680      0.170917243      0.449049145    
 H    1.16191220      0.820090771      0.104359038    
 H    8.23122486E-02  0.607145488       1.17628777    
 O   -1.32316995      -3.69563603       2.04657769    
 H   -2.23739767      -4.01548910       1.93182790    
 H  -0.774057269      -4.46713972       2.15370584    
 O   -2.57614470       2.53873253       4.29683399    
 H   -2.71786046       2.23589158       5.20046949    
 H   -3.41163564       2.38027787       3.83806634    
 O   -3.21288824       1.30090320       6.82571697    
 H   -2.95694923       1.54715788       7.71129131    
 H   -2.79384327      0.445201874       6.63886452    
 O   -5.61523771      -3.08591819       3.42901778    
 H   -5.39410639      -2.78752637       4.32426739    
 H   -6.56380844      -2.96233201       3.30243111    
 O   -8.27113628      -2.37524319       2.94440746    
 H   -9.11280441      -2.74123931       3.20233941    
 H   -8.21913433      -1.48586559       3.33805656    
 O   -1.18074703      -1.91730011     -0.203017801    
 H   -1.10183358      -2.55499029      0.515672624    
 H  -0.528201163      -1.22328019      -3.61579210E-02
 O   -4.36578560       1.10117412      -1.47627401    
 H   -4.14479113       1.59758365      -2.25920963    
 H   -3.87023163       1.50085843     -0.738098741    
 O   -5.66899920      0.773011088       5.49432707    
 H   -4.95891666       1.04958129       6.08625889    
 H   -5.41656351       1.10213757       4.62080717    
 O   -7.38064671      -1.91466391      0.257346660    
 H   -7.72369432      -2.13041186       1.13245595    
 H   -6.77369833      -2.62242150       1.35613102E-02
 O   -4.92249775       1.67610979       2.91333938    
 H   -4.76687431      0.760336280       2.62576509    
 H   -5.80332041       1.93700814       2.61310554    
 O   -3.11780787       2.06507635      0.713281035    
 H   -3.78670502       2.12433100       1.40506494    
 H   -2.32928824       1.73274910       1.15919042    
 O   -1.06279731       1.12574792       2.47104979    
 H   -1.28422928      0.237102687       2.78100348    
 H   -1.43593347       1.73090208       3.12761998    
          69
 Energy    -248.32419725662777     
  O     12.52077163     11.41675425    -16.09105010
  H     11.89142579     11.03124953    -15.45820300
  H     17.60309505     10.09097127    -15.49823577
  O     14.90008735      7.84892467    -13.42939526
  H     12.83456090     12.25114569    -15.72240792
  H     13.91601894     10.52162953    -15.27863938
  O     16.44583201     11.30186327    -11.38337342
  H     14.70882570      8.66274687    -13.92412163
  H     15.47317217     10.41177433    -15.16486351
  O     16.58965815     13.31939797    -14.93803241
  H     15.66266294      8.05299684    -12.87452927
  H     11.19736776     10.22993801    -13.29053066
  O     13.12843063      7.37727166    -16.56856584
  H     15.56797731     11.51714641    -11.72609073
  H     10.93565902      9.20881701    -14.41671022
  O     12.88921422      9.85318431     -8.87281253
  H     17.04633752     11.99059957    -11.70249389
  H     16.71303044      6.77557654     -9.12608578
  O     12.48288848      7.35224347    -12.30614971
  H     16.79590060     12.48595866    -15.38442388
  H     15.39241018      7.29076699     -9.74196803
  O     13.95670198     11.71690134    -12.56045362
  H     15.63238283     13.41644756    -14.95284136
  H     10.40368943      6.78329766    -15.10786735
  O     15.99009433      7.19702668    -15.89841384
  H     13.09194750      8.12961293    -17.17311291
  H     11.82664294      7.31125808    -15.39935726
  O     13.64567551      7.21586769     -9.75491498
  H     14.06119620      7.16694088    -16.45813332
  H     17.49296476     13.33658147    -13.41628122
  O     18.27479934      8.54782251    -14.61021016
  H     12.56317864     10.13831797     -8.02353992
  H     18.61364552     13.93333414    -12.54684500
  O     17.06620977     10.74786961    -15.95817910
  H     13.84554970     10.03868058     -8.88268678
  H     16.97179015      9.64022579    -11.85793523
  O     14.63896913     10.21009993    -14.72169235
  H     11.89593960      7.21158756    -13.05751005
  H     17.02714590      8.21463032    -11.24395162
  O     10.99294321     10.15458294    -14.23009768
  H     13.37198452      7.45111407    -12.68429430
  H     15.94934694      9.25942475     -9.09296128
  O     16.35255746      7.44944121     -9.69632526
  H     13.25101656     11.21046016    -12.13758597
  H     15.94053926     10.65961007     -9.72957399
  O     11.09335888      7.34246467    -14.75976857
  H     14.26888220     11.16890198    -13.29901828
  H     14.99850144      9.45078302    -18.11484128
  O     17.94678428     13.25285590    -12.56031255
  H     15.53349203      7.24294750    -15.04515667
  H     15.90552576      8.47392409    -17.33911708
  O     17.17621667      8.71391922    -12.05739300
  H     16.88295591      7.48747633    -15.67980451
  H     12.18762807     10.04962898    -10.59188423
  O     15.58522251     10.14641253     -8.99070328
  H     13.17134546      7.09848120    -10.58859110
  H     12.16800399      9.09349057    -11.80043116
  O     15.92076145      9.24541545    -17.92115705
  H     13.29266563      8.02465724     -9.36452176
  H     13.72513542     13.02768836    -13.78564914
  O     12.01567337     10.01399662    -11.54140292
  H     19.20624855      8.34508004    -14.56037638
  H     13.37017791     14.42045431    -14.35217926
  O     13.67270491     13.55084019    -14.60347011
  H     17.95386769      8.58544494    -13.69432529
  H     12.62230811      9.94174092    -18.96603525
  O     13.10447778      9.73767762    -18.16856597
  H     16.75334094     10.33188093    -16.77694893
  H     12.84936859     10.40399302    -17.50861434
          69
 Energy    -248.32417197719502     
  O     15.75471895     10.71143617    -16.81341759
  H     14.98383302     11.01745328    -16.32158861
  H     20.50599543     10.06060562    -17.63398472
  O     15.63856038      5.58672129    -13.27275005
  H     16.49893827     11.30959893    -16.64207784
  H     17.74317203      8.83455142    -14.84944014
  O     17.82873547     13.61994495    -11.06479912
  H     15.93715166      5.58626834    -14.18916168
  H     16.51297975      9.46658911    -15.60770894
  O     19.56507872      8.58496075    -14.60751680
  H     16.43130911      5.44116931    -12.74059574
  H     12.64713125     11.68021735    -15.46249315
  O     14.41419171      7.07508813    -17.06258312
  H     18.17753725     14.48104500    -10.85199203
  H     13.27987572     10.28140885    -15.23607919
  O     16.86475048     10.07463741     -8.97859772
  H     18.38239125     12.96629380    -10.60103956
  H     16.51027857      8.30174714    -11.61751957
  O     15.14343625      8.23359373    -12.88213253
  H     19.83760570      9.10926038    -15.37071013
  H     17.13693667      8.81793338    -10.28674708
  O     17.52524695     11.98032720    -13.33664021
  H     19.64209309      9.12400346    -13.80833440
  H     13.54500711      8.01726636    -15.78819365
  O     19.11475375      5.82509557    -14.40897623
  H     14.74560554      7.63467214    -17.77549270
  H     13.63374303      8.29356406    -14.27098361
  O     16.86437688      6.21746005    -15.90386101
  H     15.17159873      6.55391164    -16.76966580
  H     18.50447056     11.03780397     -9.43729027
  O     18.06328909      5.68757884    -11.72998211
  H     16.33409964     10.76863002     -9.41046552
  H     19.41017620     11.01306882    -10.67778228
  O     19.78285612      9.94166005    -17.02357200
  H     16.53151522      9.98583102     -8.08968656
  H     18.58181687      9.36065846    -11.88482230
  O     16.78068137      8.83548019    -14.92960818
  H     15.71865198      8.50613393    -13.61975590
  H     18.62477753     10.69204682    -12.68473891
  O     13.46721680     11.23953207    -15.25848012
  H     15.14561527      7.26440548    -12.89843216
  H     16.21536217     12.71499062    -10.52240934
  O     17.30846137      8.28227395    -11.07275939
  H     17.64115951     12.66808541    -12.66829242
  H     15.19505929     11.74780195    -11.15684080
  O     13.19726575      8.57878098    -15.07850299
  H     16.62783904     11.63670904    -13.22896951
  H     17.32119030      8.26631171    -18.38838400
  O     19.17296570     11.54928488     -9.90906111
  H     18.87249962      5.70288486    -13.48366841
  H     17.85400652      7.23463607    -17.38367212
  O     19.18120178     10.00610747    -12.28535437
  H     19.40989659      6.74429824    -14.48220049
  H     14.87678624     10.06939886    -12.74276064
  O     15.55967004     12.03922244    -10.31031461
  H     17.67592501      5.91169440    -15.46923087
  H     14.36502716     11.23435897    -13.62278956
  O     18.12464759      7.97298925    -17.93878672
  H     16.73632017      7.13013448    -15.60140201
  H     18.69909608     11.40266937    -16.37427771
  O     14.90550361     11.02954031    -12.84947480
  H     17.88039667      6.58761519    -11.41665521
  H     17.96515143     12.05502507    -15.16066001
  O     18.00671902     12.02746681    -16.12625952
  H     18.37128938      5.19167640    -10.97505352
  H     15.64711058      9.63398493    -18.18129452
  O     15.64004919      8.93920607    -18.86381500
  H     19.21414091      9.24397034    -17.39674099
  H     15.32593272      9.34212604    -19.66873897
          69
 Energy    -248.32388091361605     
  O     16.85831981     10.29707027    -17.79196840
  H     15.95774280     10.63529273    -17.72755784
  H     21.70981242     10.19740102    -17.21441718
  O     17.45764921     14.50278875    -12.37695675
  H     17.02474601      9.76184737    -17.00006334
  H     17.25420366      7.79525647    -15.64877838
  O     19.98774124      8.92120817    -14.38683118
  H     17.38370286     15.45141374    -12.42787115
  H     18.30540629      8.81986898    -15.16715702
  O     15.12778353      6.50554180    -17.57664504
  H     16.54923815     14.14823279    -12.32306394
  H     13.70294237     11.91599429    -17.77714104
  O     15.93731306     11.28439566    -10.55856545
  H     20.42341367      9.32364846    -15.14909548
  H     14.48426308     11.64308221    -16.47127102
  O     15.07623916      9.33582578    -14.23668064
  H     19.71160632      9.61263067    -13.76925415
  H     16.83027783      7.97969496    -12.10890858
  O     17.85531400     12.59241467    -14.48019630
  H     15.66734704      6.23634768    -16.81486675
  H     15.90954922      9.06855129    -12.69003654
  O     19.78328714      6.27764858    -13.61034832
  H     14.68658606      5.71838027    -17.88872173
  H     14.04770095      7.93880995    -16.88899628
  O     19.41962531      5.17573645    -16.20796095
  H     16.81415836     11.65665286    -10.41197903
  H     13.69972251      9.44869505    -16.86231203
  O     16.84294529      5.97436658    -15.48503566
  H     16.08515363     10.39571297    -10.90586679
  H     19.08440799     12.96899895     -9.97117238
  O     17.26218187      6.20783019    -12.65784335
  H     15.93300875      9.16116856    -14.65776501
  H     18.23802700     13.33298735    -11.21295228
  O     20.88969845      9.89680033    -16.83244287
  H     14.40703303      9.00966863    -14.85459172
  H     17.96857569     10.01282016    -12.43472070
  O     17.41754358      8.73987962    -15.53579949
  H     17.81422043     13.36013298    -13.89866641
  H     18.78216124     11.23962365    -11.93523208
  O     14.24363347     11.26654429    -17.33490772
  H     18.13672774     11.85277647    -13.92241642
  H     14.87592882     12.90080199    -13.13602937
  O     16.57905475      8.90484838    -12.00737696
  H     19.80402824      5.80656723    -14.45227138
  H     15.21105613     12.57135101    -11.65724796
  O     13.56308505      8.61374839    -16.39794070
  H     19.97016990      7.20341704    -13.82599745
  H     18.96806854      7.50750562    -18.22776945
  O     18.56022183     12.59268985    -10.67375281
  H     19.61014013      5.95313754    -16.76658529
  H     20.15044105      8.20252635    -17.49407328
  O     18.67924502     10.62628682    -12.67277538
  H     19.80949155      4.42294209    -16.64271022
  H     15.04129051     11.10294352    -14.53003866
  O     15.06452426     13.30037906    -12.27884218
  H     17.69749543      5.60483686    -15.75077263
  H     16.06168403     12.24053654    -14.81219964
  O     19.78114634      7.34494425    -17.72571045
  H     16.83154081      6.00584059    -14.52040480
  H     18.26639758     11.40743797    -17.38684287
  O     15.12061370     12.01899249    -14.83841367
  H     18.20364463      6.21823100    -12.91146887
  H     18.67063117     12.21102461    -16.13442488
  O     19.01804589     11.83548723    -16.95281811
  H     17.15378415      5.49754255    -12.03019624
  H     17.16694892      8.72876574    -18.75315864
  O     17.33443173      7.79774193    -18.95469758
  H     20.25568544     10.63157390    -16.91594409
  H     16.56628138      7.32436054    -18.61649185
          69
 Energy    -248.32370365801933     
  O     18.02493951      9.92969715    -18.00885507
  H     18.18581898      9.03955170    -18.34621937
  H     17.06448353      8.05407379    -10.98195858
  O     14.73246076      6.67570031    -12.51116766
  H     17.17084510     10.25321578    -18.32862680
  H     20.55643648      9.39815933    -16.67135958
  O     17.25710147     13.90460112    -13.08977291
  H     15.49661998      6.76396256    -11.91077562
  H     19.99225961      8.01092910    -17.06976177
  O     20.66242318      8.02320941    -13.78750541
  H     14.18868037      5.97502353    -12.16142415
  H     17.83610450      9.31760819    -14.74445234
  O     16.19033987      6.55192942    -17.59094410
  H     17.75328441     13.45175219    -13.78386532
  H     17.57287352      9.26415511    -16.28236756
  O     14.17121934     12.23325809    -12.03941745
  H     16.38446628     14.08194173    -13.46200429
  H     15.50484089     11.51189556    -17.80039575
  O     14.42687941      9.47316976    -12.62213133
  H     20.67408374      8.12257396    -14.75586780
  H     14.96480339     10.17002390    -18.36607891
  O     18.37912289     12.24697883    -15.08743597
  H     21.56247726      7.86386780    -13.51535338
  H     16.92279402     10.81517289    -11.07283726
  O     18.64725874      6.15366791    -12.96721183
  H     16.20489290      6.30389628    -16.65566888
  H     16.07752914      9.77397460    -11.84870623
  O     14.74073666      9.90224779    -15.31948773
  H     15.46963371      7.18451766    -17.68979686
  H     13.17245206      8.37563718    -17.74958917
  O     16.44463075      6.37349038    -14.80865617
  H     14.10292106     11.27762694    -12.16014952
  H     14.19588510      8.99175998    -16.77011522
  O     16.93110318      7.09945381    -11.01759581
  H     14.93665812     12.37452298    -11.46825842
  H     16.96709726     13.16423966    -10.00914602
  O     20.59498742      8.45696085    -16.46355850
  H     14.38263703      8.51374291    -12.52634368
  H     16.98734792     13.10341865    -11.55562922
  O     17.27245625      8.93290402    -15.42809554
  H     14.44171003      9.64642775    -13.57487541
  H     19.50237232      9.41618711    -13.40574497
  O     15.55306885     10.91065152    -18.55667550
  H     18.53607640     11.54361499    -14.43879780
  H     18.22304858      9.97314573    -12.67520249
  O     16.93931442      9.91921935    -11.43225064
  H     19.04465942     12.11064430    -15.77075349
  H     13.91597542     14.65760774    -14.06830988
  O     14.10012240      8.57293683    -17.64164438
  H     18.00522663      6.07859711    -13.68405968
  H     14.34332941     13.33789332    -13.38212107
  O     16.70769426     12.62759759    -10.75309367
  H     19.35351362      6.72644858    -13.28726813
  H     16.63179206     12.31769195    -15.80112150
  O     18.80307871     10.08058213    -13.44253657
  H     15.61492668      9.48015654    -15.30702851
  H     15.27007385     13.00190945    -15.51028810
  O     14.56608635     13.96093335    -14.09722000
  H     14.91854656     10.82285903    -15.55440070
  H     20.62459453     11.74263601    -17.79276199
  O     15.71148972     12.37166756    -16.09442861
  H     15.79453068      6.45002945    -14.09993774
  H     19.37243468     10.87343279    -17.51941938
  O     20.15353610     11.28238893    -17.10243388
  H     16.76414673      7.26959463    -15.00052598
  H     18.98396411      6.68603881    -19.06201612
  O     18.68739297      7.27060971    -18.36960398
  H     17.62144451      6.74169374    -11.59748999
  H     17.80907707      6.95106933    -18.09510106
          69
 Energy    -248.32368306656298     
  O     12.96047456     11.69353033    -15.57621427
  H     13.79158185     12.15044910    -15.74538341
  H     19.56588869      8.13379192    -13.15688924
  O     15.31771325      7.26619685    -12.37418757
  H     13.13463400     10.76085022    -15.76926988
  H     17.30239281     10.13938963    -16.94948333
  O     18.34754846     11.24186141    -12.01881356
  H     15.58900786      7.92619207    -13.03095115
  H     16.25255807     11.27280665    -17.00258461
  O     18.31405529      9.22432872    -15.73408812
  H     16.09032531      7.06539039    -11.83253666
  H     15.12497012      9.08297106    -14.90342335
  O     11.78622491      7.22309147    -14.94244802
  H     18.06970042     10.72080099    -11.25041143
  H     16.69069667      9.10102510    -14.82076366
  O     14.69655383     10.37072159     -9.18939321
  H     17.53519632     11.54408038    -12.44176628
  H     10.78858971     12.38119649    -13.40995053
  O     13.35533544      8.62657144    -11.04476337
  H     18.50380728      8.28227054    -15.83662735
  H     12.01938423     11.79393237    -14.14262482
  O     15.87371028     11.69269502    -13.30141378
  H     18.93369086      9.56063108    -15.07333424
  H     17.43134336      8.71512541    -10.20200154
  O     16.15197177      6.25859623    -16.52025452
  H     11.55808320      7.80747426    -14.19730171
  H     16.49361658      9.82433323     -9.65918463
  O     18.67918273      6.45065618    -15.68652821
  H     10.97194874      6.82621893    -15.23918224
  H     11.89977550      8.75967010    -12.17453867
  O     14.25714826      5.81321802    -14.55314065
  H     14.47877724     10.82861717     -8.38075479
  H     11.28142552      9.88531078    -13.03879931
  O     19.22670522      7.24367036    -13.00118333
  H     14.39218374     10.93733954     -9.91659347
  H     20.88393041     10.29359300    -13.56758355
  O     16.59726628     10.51867900    -17.49399000
  H     13.73393848      8.92380225    -10.21109135
  H     19.43899669     10.42500942    -13.02785222
  O     15.87891054      9.14540268    -14.30060439
  H     14.02685906      8.08386932    -11.48659494
  H     17.95825348      6.20920630    -10.32411990
  O     11.52703127     11.78870190    -13.30102157
  H     15.14120980     11.72547908    -12.67424402
  H     18.24358140      7.02279330    -11.60891644
  O     17.38546720      9.65316419     -9.98090765
  H     15.90805889     10.77529371    -13.61708468
  H     15.01138235      8.32772389    -19.16445924
  O     11.29217507      8.93047162    -12.90759391
  H     15.78926083      6.90418796    -17.13511311
  H     15.67357695      9.15733241    -18.03725161
  O     20.01190113      9.91500046    -13.63038407
  H     15.46387075      6.06066120    -15.86736213
  H     13.59892522     10.39448164    -11.57188913
  O     17.63279109      6.93128517    -10.85456294
  H     17.75621196      6.31386499    -15.97120058
  H     12.92273901     11.67215479    -12.09433036
  O     15.13441682      8.36572845    -18.22016082
  H     19.21093081      5.83095751    -16.17796225
  H     15.76313987     12.41281539    -14.92075316
  O     13.68559466     11.35954874    -11.59138699
  H     14.60626916      6.18055155    -13.73032350
  H     15.97753638     13.57228224    -15.91878941
  O     15.62913209     12.68724594    -15.84413670
  H     13.37081790      6.17959226    -14.64888471
  H     14.02446405      8.75532241    -16.82282321
  O     13.63769913      9.03688031    -15.98358909
  H     19.02680169      6.87636051    -13.87079899
  H     12.99342168      8.37289112    -15.70757453
          69
 Ord_Energy   -248.323578    
 O   -2.93888426       1.16139829       7.83279315E-02
 H   -3.76800323       1.20912063      0.546106994    
 H   -3.11243486      0.702132463     -0.763879418    
 O    2.07873964      -2.82677817      -1.88111186    
 H    1.13589191      -2.72183275      -1.72573340    
 H    2.47339988      -1.99074721      -1.59664845    
 O   -2.83658576       1.18435049      -4.73643589    
 H   -3.49156570       1.53193247      -5.33543873    
 H   -2.39946651      0.441446275      -5.19340611    
 O    1.91596878      -3.09636760      -4.65022850    
 H   0.970971823      -3.26920342      -4.72055578    
 H    2.10845828      -3.09355569      -3.70044088    
 O    3.13390470       3.10234690      0.345431268    
 H    3.58329058       2.85084701     -0.470839769    
 H    2.53416848       3.82024217      0.108120099    
 O    4.45247126       1.18155491      -4.89446163    
 H    3.78784990      0.512050271      -5.12922812    
 H    5.28088999      0.884385049      -5.26296377    
 O  -0.831335008     -0.792959571      0.415081471    
 H   -7.01326281E-02 -0.251629084      0.662804723    
 H   -1.59401226     -0.206220686      0.480243236    
 O   -3.14869571     -0.155479044      -2.26722217    
 H   -2.41725945     -0.783724070      -2.29755878    
 H   -3.15847015      0.290922791      -3.12236357    
 O   0.595449984       2.89662294E-02  -7.52039480    
 H   0.516065061      0.940991223      -7.18269873    
 H   0.653461337       8.60561430E-02  -8.47006321    
 O   0.434149116       2.45283437      -6.38014889    
 H    1.30527282       2.85839725      -6.24731874    
 H   -9.07928962E-03   2.50306153      -5.52966785    
 O  -0.752741933      -1.75960529      -2.13318539    
 H  -0.783077240      -1.51562607      -1.19473279    
 H  -0.183453202      -1.11695325      -2.58410645    
 O  -0.577328086       2.32208800      -3.57909679    
 H   -3.29600088E-02   1.51998687      -3.49336767    
 H   -1.43006313       2.04519486      -3.93870568    
 O   -1.55510604     -0.859889269      -5.90903330    
 H   -1.36495781      -1.71331120      -5.50243950    
 H  -0.828474522     -0.662510693      -6.51270628    
 O    1.73296964       3.89994454      -3.08336186    
 H   0.914153695       3.44252491      -3.31482816    
 H    1.54545867       4.39848948      -2.27871203    
 O    2.73417735     -0.148615792      -1.25856686    
 H    3.26339030      0.592408776      -1.58462286    
 H    2.20916677      0.199564919     -0.524654686    
 O  -0.802869618       2.74333358     -0.774355233    
 H  -0.801955163       2.59446716      -1.72863328    
 H   -1.58577526       2.30121851     -0.420220584    
 O   0.986333311       4.84456110     -0.537075937    
 H   0.283982843       4.17308331     -0.521487117    
 H   0.627374828       5.63031197     -0.132456750    
 O    2.88138533       3.48036337      -5.65433979    
 H    3.50019169       2.76392317      -5.46856928    
 H    2.60532141       3.81991935      -4.79291582    
 O   0.929158151      0.105117150      -3.32121611    
 H    1.39676106     -0.144211620      -4.12807941    
 H    1.56683528       4.51796390E-02  -2.59584403    
 O    2.47410727     -0.609453976      -5.54125214    
 H    2.37665415      -1.54365313      -5.29495478    
 H    1.90477848     -0.441282630      -6.30198383    
 O    3.82772517       2.16834188      -2.32112837    
 H    4.19370890       1.83901501      -3.15172791    
 H    3.09593034       2.74952054      -2.57258964    
 O    1.16053104       1.18438447      0.602848709    
 H   0.483719736       1.67920148      0.122380011    
 H    1.89979494       1.80034888      0.713450193    
 O  -0.976411104      -3.23370051      -4.44913292    
 H   -1.48430741      -4.03710985      -4.36198425    
 H  -0.957198739      -2.81969810      -3.57030249    
          69
 Energy    -248.32342077757073     
  O     11.92164428      9.86860393    -13.30833909
  H     12.42208766     10.63895177    -13.01555421
  H     19.78731438      8.42133279    -14.40867199
  O     16.59444587      6.03678720    -13.91508634
  H     12.38065598      9.54313813    -14.09530384
  H     15.07379800     11.71975976    -15.59962649
  O     17.54028212      9.29319317    -10.21252069
  H     17.46899957      5.91317171    -13.52551182
  H     16.19540333     11.72386173    -14.54892553
  O     17.67926443     10.69109274    -14.22811564
  H     15.95029081      5.71505180    -13.26970129
  H     16.13354133      7.79456497    -13.84863739
  O     12.85691485      6.22873037    -16.09439292
  H     16.67161998      9.56683977    -10.53385370
  H     16.44583856      9.32280669    -14.00514882
  O     14.69398145      5.36465793    -11.97838545
  H     18.18597518      9.73825290    -10.77438286
  H     11.49481675      8.50799702    -12.34641820
  O     15.02703828      9.80038873    -11.39003763
  H     18.22752562     10.28825905    -14.91418141
  H     10.40526844      7.76954987    -11.53215017
  O     16.83011093      8.72769572    -17.26002278
  H     18.21967145     10.73100938    -13.42861764
  H     17.73339328      7.52013976    -10.19804379
  O     15.32098467      5.63531034     -9.14682014
  H     12.64688006      5.95548104    -15.18357762
  H     17.01868191      6.19813722     -9.82850413
  O     19.17310459      9.17073466    -16.05842854
  H     12.22517145      5.79667826    -16.66266603
  H     13.11869441      5.33968346    -13.01957056
  O     15.69724286      6.30575657    -16.56219580
  H     15.01194309      4.92792131    -11.18387224
  H     11.90674832      6.29278899    -12.96408320
  O     20.07724411      8.27441912    -13.49964675
  H     14.38825637      6.22500251    -11.65134292
  H     19.71908933      9.64113959    -12.50335740
  O     15.31744263     12.08226053    -14.74004866
  H     15.28055075      9.36628132    -12.21998895
  H     20.18498888     10.91952114    -11.76299498
  O     15.75652421      8.68164945    -13.78784705
  H     14.57039316     10.61033054    -11.64300113
  H     18.59778911      6.07723128    -11.69740715
  O     11.30934990      7.70392074    -11.82730204
  H     16.41303333      7.87066518    -17.08390221
  H     19.57538815      5.07913908    -12.36912328
  O     17.78950630      6.55554626    -10.28031108
  H     16.12948500      9.38686879    -17.28081105
  H     14.28695204      8.76099473    -14.82703670
  O     12.33886453      5.62585746    -13.51170667
  H     14.73779858      6.34611847     -9.46107612
  H     13.24231886      7.97320098    -15.68141075
  O     19.40834587     10.43863924    -12.03574914
  H     15.09567479      5.48932588     -8.23151674
  H     14.19909549      8.37184148    -10.70397617
  O     19.01392886      5.82904456    -12.54489513
  H     19.81338230      9.40030873    -16.72655754
  H     12.86369933      7.58714815    -10.82285263
  O     13.49249675      8.85380981    -15.37605083
  H     18.34716771      8.95594459    -16.53025964
  H     14.25748244     12.05484767    -13.36398122
  O     13.76659219      7.53387956    -10.48556396
  H     16.06638778      6.09915332    -15.69247255
  H     13.51185895     12.87688736    -12.28843358
  O     13.69072098     11.98531325    -12.57436050
  H     14.74527532      6.18428013    -16.47751087
  H     14.13270535     10.00096339    -16.54621090
  O     14.63402320     10.62197348    -17.10317745
  H     19.74219663      7.41234923    -13.22410923
  H     14.06961077     10.85049867    -17.83744811
          69
 Energy    -248.32323452946736     
  O     -2.37922167      3.05720882      3.80825067
  H     -2.37802893      3.44571833      2.92231284
  H     -3.88943772     -2.80796268      1.93328303
  O      0.33543144      4.92901843      1.16081021
  H     -3.28672728      3.12944790      4.13484103
  H     -2.90079133      3.20823935      0.12521790
  O     -0.58386758     -0.39907587      1.58272662
  H      0.53525990      4.11131952      0.66896291
  H     -3.54945691      1.80628129      0.24617799
  O     -5.41639574     -0.22025015     -1.42854274
  H      0.94598496      5.59270856      0.85220055
  H     -6.20958972      2.99722326      0.66901501
  O     -2.93343867     -1.30279450     -1.71126007
  H      0.23957940     -0.00588612      1.89777467
  H     -5.37018624      2.27741179      1.72934066
  O     -4.23813770      0.89751007      1.59450119
  H     -0.77976877      0.02112637      0.73332242
  H      1.26051487      2.00995046      0.72422056
  O     -5.11083239      3.16953151      4.37685095
  H     -5.67597036      0.70603717     -1.44388998
  H      0.28242519      1.94049125     -0.46433332
  O     -7.54386727      0.70371703      2.71834075
  H     -5.79751717     -0.59176669     -0.61892297
  H     -3.06551513      5.00076842      1.61022116
  O     -2.36969353      0.30410378      3.58248784
  H     -2.94855182     -1.86217929     -2.48380968
  H     -1.52032494      4.80027751      1.27161801
  O     -5.84096307      2.68038814     -1.21218428
  H     -3.81481595     -0.89398488     -1.64874828
  H     -5.24792917      4.73772494      1.92918023
  O     -6.17921936     -1.06232850      1.09820244
  H     -4.83242168      0.15838962      1.41523608
  H     -4.79538830      5.39228634      3.23013378
  O     -4.68303241     -3.00699841      2.46302418
  H     -3.64207412      0.64038451      2.30679044
  H     -3.64919022     -0.69676774      4.37879026
  O     -3.23784355      2.46504477     -0.39655743
  H     -5.54215722      3.20242762      3.51548764
  H     -4.58293910     -1.85303598      3.97056845
  O     -6.03312599      2.97967897      1.61757583
  H     -5.47528688      2.38373862      4.80626420
  H      0.44300786      3.96674697      2.84982692
  O      0.89157931      2.52885570     -0.00183973
  H     -7.29884318      1.55725938      2.34603870
  H     -0.49529601      3.23320080      3.82884105
  O     -2.38584000      4.37740271      1.31969952
  H     -7.19842318      0.70307754      3.62091518
  H      1.20774285      1.87019064      2.88993969
  O     -4.73071519      5.47760304      2.27659136
  H     -2.27186293      1.25287616      3.74375635
  H      2.44786494      0.94701484      2.81913502
  O     -4.46777263     -1.15305217      4.62295949
  H     -1.69511783      0.04014963      2.94267859
  H     -5.62666028      0.03672095      5.07017094
  O      0.42498123      3.29412203      3.54171809
  H     -5.99826683      3.22601659     -1.97893988
  H     -6.65832695      0.53627713      6.10924747
  O      1.61286053      1.13307711      2.39863811
  H     -4.88047671      2.68887366     -1.05368862
  H     -1.80195688     -1.82005336      1.24275361
  O     -6.26545592      0.74609906      5.26620905
  H     -6.76934402     -0.56287570      1.68258679
  H     -2.70639452     -2.06258467      0.02134334
  O     -2.55178075     -2.34194737      0.93194103
  H     -5.81295033     -1.80695969      1.59067538
  H     -1.61742247      0.00479578     -1.31184404
  O     -1.15629232      0.75620096     -0.91926289
  H     -4.73736379     -3.95650589      2.52959903
  H     -1.83551358      1.44007618     -0.81983987
          69
 Energy    -248.32320090906359     
  O     16.93536680      8.49481282    -10.35348987
  H     16.57694962      7.75399000     -9.84770142
  H     15.70204681      4.81839599    -12.84636125
  O     11.43628702      9.42700322    -12.69344619
  H     17.52118789      8.10142206    -11.00884442
  H     13.83726940      8.17982194    -13.47719256
  O     12.66360878      3.65284182    -12.84608118
  H     11.01167148      8.56339820    -12.77082448
  H     15.30777317      7.91057032    -13.16068269
  O     14.04453316      5.73634084    -16.00994155
  H     11.95681474      9.56197794    -13.49561938
  H     15.84383779      9.87871703    -10.75433714
  O     10.25458511      6.83692244    -12.75818350
  H     12.27875536      4.23862832    -12.17889787
  H     14.38165626     10.42115128    -10.73737284
  O     15.00573071      3.83425134     -7.93610162
  H     13.51040420      4.04851802    -13.10599379
  H     13.32711743      0.76212149    -11.56071362
  O     12.56025489     10.01940100    -10.30332434
  H     13.11067141      5.65563582    -15.76647371
  H     13.23126819      2.26656557    -11.89877708
  O     16.90813027      4.93803889    -11.48144773
  H     14.52842925      5.30343189    -15.29553978
  H     13.09409098      8.25527575    -10.17876303
  O     15.09087065      8.15147391    -16.46636548
  H     10.65330251      6.29641890    -12.05598686
  H     13.81385640      7.46244165    -11.29335137
  O     12.47194176      3.34690032     -9.21027643
  H      9.31006830      6.71369682    -12.68986342
  H     11.80203279      4.60268032    -14.31590017
  O     13.39902634      9.60553838    -14.69224416
  H     15.32595708      3.46059692     -7.11950456
  H     11.06855256      5.94418328    -14.29609060
  O     14.99091700      4.95276568    -13.48489910
  H     15.42043813      3.32888964     -8.65954480
  H     11.77230069      4.66569847    -10.21363313
  O     14.41454481      7.60852958    -12.95703368
  H     11.98192938     10.57479139     -9.78820645
  H     12.23815868      6.07545446    -10.65916051
  O     15.26517031     10.58178799    -11.08565052
  H     12.11977745      9.86736293    -11.15969867
  H     16.43039648      3.25263499    -10.69343542
  O     13.58120374      1.62873191    -11.25397085
  H     16.47395760      5.37181524    -10.73094085
  H     15.27150824      2.21894472    -10.60048869
  O     13.42833175      7.37979421    -10.40708000
  H     17.51665908      5.58904657    -11.85031581
  H     15.47076168     10.96875405    -12.71000685
  O     11.53972521      5.34074957    -14.88091763
  H     15.24539498      8.26438009    -17.40001644
  H     15.84348722     12.01390607    -13.79183739
  O     11.61671483      5.36258355    -10.86777201
  H     14.70881951      7.26135533    -16.35179849
  H     15.43816701      5.47140984     -8.72158179
  O     16.02318477      2.59024166    -10.12090879
  H     13.23699236      3.56858596     -8.66563892
  H     14.81991870      6.58707857     -9.61119390
  O     15.58553600     11.10493052    -13.67006813
  H     12.77638532      2.64908054     -9.80329558
  H     19.28555306      7.27890355    -12.71359146
  O     15.65682162      6.19564277     -9.31962816
  H     14.05889213     10.23031869    -14.35996351
  H     17.86745897      7.66359713    -13.18791629
  O     18.35918757      7.16726432    -12.51293991
  H     13.82618262      9.14178277    -15.42338763
  H     16.50762257      9.52993584    -14.02796028
  O     16.75493017      8.61479948    -14.22010736
  H     14.68436978      5.86176002    -13.34647949
  H     16.30134289      8.38283007    -15.04189052
          69
 Energy    -248.32310022670964     
  O     11.29599742     11.23648076    -14.51568852
  H     10.44141504     11.65017430    -14.42955806
  H     14.85660753      5.70615361    -16.01779457
  O     15.69218023      6.93371411    -13.29816244
  H     11.55518093     10.94643369    -13.62241313
  H     19.79220462      6.07267690    -14.94130956
  O     17.78244802     10.81208784    -14.01206727
  H     16.62254105      7.18534615    -13.36030420
  H     18.93756223      7.25722593    -14.46673613
  O     16.94310251      9.91973417    -16.48946214
  H     15.48587784      6.23569053    -13.93271622
  H     14.47038171     11.70967062    -17.04199952
  O     12.25938059      6.56100384    -14.17314328
  H     17.67337285     10.57814198    -14.94329457
  H     14.92136499     12.01304247    -18.48810096
  O     17.18300443     11.11350930     -9.76615022
  H     16.90789307     11.11687164    -13.72289017
  H     15.53033884      9.24489198    -15.43364342
  O     14.60867951      7.83455243    -10.95560213
  H     17.30332811      9.17483397    -16.98555134
  H     15.06411507      8.32894772    -14.25912365
  O     15.17805578     11.42279595    -13.39562901
  H     16.34568433     10.41984110    -17.06183716
  H     11.91102342      9.36702570    -11.92166198
  O     18.01774024      7.57055766    -17.57424215
  H     13.00280216      6.05393286    -14.51632858
  H     12.79877686     10.57332096    -11.55887674
  O     17.39530638      8.33314404    -10.49353297
  H     12.13057175      7.30033891    -14.78412967
  H     11.16942988      7.01946910    -11.26467653
  O     15.32622862      6.60149551    -17.39011945
  H     17.78800515     11.46106052    -10.44340663
  H     12.02488596      7.12197432    -12.54835110
  O     14.62903368      5.22649663    -15.19976553
  H     17.46807923     11.47730716     -8.93156086
  H     18.07466161      9.07214313    -13.42555991
  O     19.21557782      6.76450245    -15.25573542
  H     13.66221868      7.65734860    -11.01520139
  H     18.04185252      8.16458981    -12.16811567
  O     14.93633738     11.33954793    -17.81338216
  H     14.98470503      7.47144229    -11.77276459
  H     18.59131054     11.58004995    -12.60308659
  O     14.82085460      9.09314887    -14.79673143
  H     14.94838330     10.60247116    -13.86244947
  H     19.54050318     12.60215066    -11.95996672
  O     12.01869849     10.31593505    -12.06387597
  H     14.95421861     11.27157386    -12.46944572
  H     13.05195327      8.74643692    -17.42835290
  O     11.90105874      7.49003787    -11.65478703
  H     18.60970736      7.41170794    -18.30494318
  H     14.09854599      9.62264390    -18.13028015
  O     18.19644050      8.16210298    -13.12471794
  H     18.46772307      7.25339500    -16.77194920
  H     14.60400211      9.65746949    -10.84765216
  O     18.86334850     11.96291254    -11.75379642
  H     17.39879695      9.24091047    -10.16728994
  H     15.39226587     10.89213075    -10.35795175
  O     13.72083449      8.73607036    -18.12700122
  H     16.47195279      8.05213084    -10.46308776
  H     14.26394102     12.23304742    -14.81666010
  O     14.57980815     10.62558350    -10.80448786
  H     16.23824471      6.87721122    -17.52679985
  H     12.82986643     12.03158561    -15.31752447
  O     13.70483691     12.32458485    -15.59994172
  H     14.76283855      7.31885664    -17.71626250
  H     11.77681592      9.65000833    -15.41389043
  O     12.24835681      8.87424449    -15.73763812
  H     14.61000833      4.29994709    -15.42159031
  H     13.16150483      8.96889146    -15.41837588
          69
 Energy    -248.32264724791344     
  O     16.55226222     10.02544534    -14.94942682
  H     17.49528251      9.81284502    -14.92088006
  H     12.82499501     10.08509189    -13.74872161
  O     15.73679402      6.95613825     -9.72300095
  H     16.19121582      9.82000610    -14.07252462
  H     13.17427457     10.61444752     -9.88163774
  O     16.93115792     12.51842020    -13.68203128
  H     15.99985963      6.77124350    -10.64116674
  H     12.48474991     10.19977198    -11.18105305
  O     13.05983993      7.32240772    -10.77260418
  H     16.06074457      6.23279535     -9.19216910
  H     20.21241117      4.62782039    -14.73125870
  O     15.20373743      8.00221664    -16.25944531
  H     16.72812923     11.79193827    -14.28664447
  H     18.78190314      5.13075660    -15.03733188
  O     19.26191437      9.48299635    -14.58167019
  H     16.11204066     12.70653724    -13.21014007
  H     15.97398915      7.72283869    -12.46829085
  O     19.37587026     11.70352895    -12.82948881
  H     12.80764325      8.21812662    -10.50439223
  H     15.89637146      6.31960218    -13.10227101
  O     19.00660046      7.36373708    -12.79400368
  H     13.89043585      7.13665305    -10.32417404
  H     19.49625491      8.34206720    -16.04166456
  O     12.48455317      6.48742609    -13.28936337
  H     15.79763985      7.62667069    -16.92052186
  H     19.69963376      6.81884303    -16.02287544
  O     14.46069281     12.92695606    -12.30097219
  H     15.67184828      8.75520692    -15.86889664
  H     14.84120869     12.30643431     -8.86338215
  O     12.78276485      8.80188676    -14.98099801
  H     19.19002809      8.75302534    -13.94794848
  H     15.37737126     11.12613156     -9.70102756
  O     12.92365351     10.54958856    -12.90325834
  H     19.45545503     10.27593590    -14.06809548
  H     18.02979001      7.13930469    -17.47466503
  O     12.53250045      9.99180768    -10.23492361
  H     19.97762916     12.44142704    -12.78094153
  H     17.33699993      6.73978573    -18.79910021
  O     19.65666619      5.40203806    -14.70444365
  H     18.50872249     12.06413904    -13.08721886
  H     14.52854540      9.67767270    -12.56614296
  O     16.32034501      6.81936455    -12.39387385
  H     18.07687464      7.14141174    -12.63944167
  H     15.77468347      9.62344535    -11.62744797
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  H     19.35593174      6.65842541    -13.35334825
  H     16.14852612      8.80316472     -9.66559077
  O     14.74945319     11.86930396     -9.70661688
  H     12.68867804      6.78512402    -12.38501473
  H     17.31950147      9.69889017    -10.18359266
  O     17.19866480      6.80583733    -17.85813991
  H     11.65067595      6.02692710    -13.23993715
  H     14.03831476      5.90343505    -14.12699689
  O     15.45141954      9.40064021    -12.50868729
  H     14.04333623     13.78329379    -12.23291189
  H     14.99847895      6.57753461    -15.13840403
  O     16.39501234      9.70977600     -9.88644640
  H     14.54970394     12.59068971    -11.39519343
  H     19.05300108      8.78760256    -11.50076863
  O     14.90765870      5.82073897    -14.53889597
  H     13.51568374      8.56923029    -15.56370352
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  H     12.60504126      8.01490414    -14.44968071
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  O     17.22807844      4.82981560    -15.77672264
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  H     17.17956273      5.37368011    -16.57316053
          69
 Energy    -248.32252725882645     
  O     -5.14422005      3.45766771      2.58784201
  H     -4.47157718      3.95996266      3.08217432
  H     -4.23319415      4.68758231     -2.82386694
  O     -2.88732933     -2.42289714      0.73030586
  H     -5.92660456      3.43681095      3.13182858
  H      0.31617645     -1.89624124     -2.94283025
  O     -0.84171162      4.38293972     -1.93912297
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  H     -3.43416157     -3.20383959      0.73284435
  H     -1.27638268      2.65109365      4.41680578
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  H     -1.79462675      4.39813168     -2.09910181
  H     -0.96609550      3.24990489      3.02438714
  O     -1.37708298      3.11088642      1.30935157
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  H     -2.08566521      6.55819908      1.22424772
  O     -2.18282344      1.15747467      4.87798627
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  O     -2.96655901     -1.25502695     -1.71928585
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  H     -4.27703478      2.13637189      1.67324747
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  H     -4.86159724      4.51321050      0.99043026
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  O     -4.51846668      5.07357016      0.28552334
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  H     -0.96794675     -2.43169120      0.42975695
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  O     -0.05944569     -2.20423413      0.19813641
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  O     -0.79602723      5.72432734      0.45512002
  H     -4.01705152      4.55730115     -1.29811041
  H     -0.03689185      5.56770911      1.03709353
          69
 Energy    -248.32244711265594     
  O     -6.22172838      2.35144447      0.25372400
  H     -5.36815624      2.80369467      0.20047966
  H      0.20519676      0.80992450      3.73892984
  O     -6.68802702      2.32250454      3.01831299
  H     -6.50540348      2.40240474      1.17437212
  H     -3.30066564      2.55166524      0.40618276
  O     -1.78794714     -1.94721639      2.49489234
  H     -7.38722708      2.67822292      3.55997020
  H     -3.27785926      4.08129689      0.56524662
  O     -3.23118578     -1.32443771      0.18601999
  H     -5.87383953      2.80075380      3.25864443
  H     -0.93100922      1.33972462      0.84102055
  O     -4.03820979     -0.06641714     -3.34791379
  H     -2.45455976     -1.83937202      3.18370042
  H      0.38480790      0.66700254      1.27438077
  O     -5.84720816     -0.41150429     -0.06204986
  H     -2.27004551     -1.87688255      1.65945368
  H      0.14822518      2.93958519      1.60608393
  O     -1.81972883     -1.42132250     -2.22709628
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  H      0.96680031      4.13914774      2.12946597
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  H     -7.00918605     -1.17650926     -3.40588877
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  O     -3.88741954     -1.33260780      4.31819215
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  O     -0.12979534      1.57018242      4.23309127
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  H     -5.96385724     -0.57974310      1.82130472
  O     -3.63720329      3.37607100      0.01832974
  H     -1.33712394     -2.13552217     -2.63360175
  H     -6.21170986      0.47336984      2.92064464
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  H     -2.76407184      1.15907538      2.18509941
  O      0.11982845      3.70523974      2.20534548
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  H     -2.87109697      0.28935751      0.88519858
  O     -6.60347761     -0.61543259     -2.75145465
  H     -4.87392854      2.65862386     -2.77531811
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  O     -2.84401931      1.24985647      4.02268019
  H      1.27651254     -1.30113921      2.70843472
  H     -1.52777684      4.54414860      2.11774300
  O     -5.90997269     -0.43137361      2.77358250
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  H     -6.69011837      2.39277002     -1.58070524
  O     -2.64790893      1.16542185      1.22627990
  H     -0.01472932      1.02827656     -1.11176408
  H     -6.80059698      1.34340765     -2.69640836
  O     -2.39563103      4.96664848      2.02701859
  H     -0.51296978      1.48102699     -2.51475807
  H     -3.82088005      2.74093706      3.88491374
  O     -6.65491307      2.28399723     -2.54118144
  H     -4.64137672     -1.06662675      3.75988960
  H     -3.75265545      4.07636886      3.12203630
  O     -4.34590681      3.51574348      3.63126246
  H     -4.24615497     -1.83971951      5.04105567
  H     -2.22052744      2.84074868     -3.27651261
  O     -1.27155956      2.82174639     -3.47867542
  H      0.01876612      2.34156793      3.67506725
  H     -1.19291954      3.12374001     -4.38032298
          69
 Energy    -248.32243735606119     
  O     10.09597388      5.52456248    -12.27406399
  H     10.52530182      5.02908941    -12.98085567
  H     16.01867318      5.86317946    -14.43182851
  O     14.21405775      4.19732235     -8.20220048
  H     10.36397264      6.44432011    -12.39233487
  H     14.48510397      6.02174162    -12.83366569
  O     16.39055133      8.87701364    -13.63082172
  H     14.66552347      3.87551669     -7.42614022
  H     13.71628891      4.84822621    -12.17651124
  O     17.64585561      4.98912778    -14.02907101
  H     14.90047564      4.52008133     -8.81001611
  H     10.12708619      4.91021476    -10.64631157
  O     17.22084367      7.54505854    -10.34997106
  H     15.94314000      9.01579711    -12.78133559
  H      9.31431886      4.34956244     -9.45751609
  O     11.32009316     10.65371467    -13.51858457
  H     16.07400184      9.55307195    -14.24310503
  H     14.33196170     10.29732447    -15.49841538
  O     12.14173826      6.19159249     -8.42496671
  H     18.29229265      4.64060703    -14.63929393
  H     15.36679177     11.33968322    -15.98616860
  O     12.57071015      6.80582425    -14.92732849
  H     18.05119682      5.76317993    -13.60700584
  H     12.65427923      7.33883511     -9.71122961
  O     16.18561576      3.21883923    -12.24584128
  H     17.76355554      7.48857753    -11.14317963
  H     13.33265324      6.99216446    -11.05767724
  O     13.98192309     11.36801228    -12.68532854
  H     16.56414679      8.23341196    -10.52048553
  H     17.87105321      8.00378083    -13.25091723
  O     15.94636597      5.11450020    -10.11236557
  H     10.47895989     11.08683804    -13.40003779
  H     19.38980906      7.90197293    -12.96874865
  O     15.27426915      6.47583787    -14.41884505
  H     11.22239548      9.75078517    -13.16926477
  H     14.38207128      8.80517969    -10.89211322
  O     14.04305607      5.74344927    -12.02244389
  H     12.84735339      5.56034081     -8.23830941
  H     14.75435408     10.13356004    -11.59434393
  O     10.20056399      4.55457353     -9.74328165
  H     11.41977937      5.67138909     -8.80070868
  H     12.63909846      8.59355486    -15.59047601
  O     15.16763214     10.74359772    -15.26969783
  H     13.52831694      6.67913156    -14.86312662
  H     12.19841933      9.97775623    -15.06508884
  O     12.96763146      7.72765161    -10.53911174
  H     12.18283163      5.92613869    -14.84333322
  H     13.08280218      3.22992970     -9.39522698
  O     18.57729985      7.40147092    -12.95753064
  H     16.24907647      3.70587719    -11.41367305
  H     11.65260270      3.37967099     -9.94250370
  O     15.13001746      9.31967256    -11.22675609
  H     16.71633724      3.72519453    -12.87074764
  H     11.81174806      7.63205148    -13.42849733
  O     12.78243448      9.54183480    -15.69946859
  H     13.04912123     11.20952224    -12.87706706
  H     11.85827196      8.00739992    -11.90648628
  O     12.48030493      2.89941916    -10.07258931
  H     14.42481847     11.33814355    -13.54108874
  H     12.25752425      3.73262010    -13.77917624
  O     11.31984717      8.05655361    -12.71130223
  H     15.26814960      5.32838734    -10.77054050
  H     11.22646197      3.53117452    -14.91155052
  O     11.60475672      4.19130757    -14.33574898
  H     16.48666184      5.91345481    -10.04253109
  H     13.06445179      2.90227126    -11.72808509
  O     13.42284459      3.09821992    -12.60936840
  H     15.63617317      7.35003479    -14.21393752
  H     14.38350628      2.98718487    -12.57022621
          69
 Energy    -248.32240428624223     
  O     17.71290944      8.22420040    -10.18647687
  H     16.76384443      8.32276893    -10.04219118
  H     18.08808408     10.74297454     -8.48174773
  O     14.98234865      8.49563954     -9.46866032
  H     17.90203003      7.27840471    -10.13443665
  H     18.56188743      8.98551811    -11.52413989
  O     20.30930350      3.49013984    -13.45057031
  H     14.91646212      9.41724059     -9.75042455
  H     19.22809646     10.24718332    -12.14810309
  O     21.14904431      7.50030929    -11.98030318
  H     15.32146278      8.46274076     -8.56164065
  H     20.91476524      5.17744133    -14.12948490
  O     16.32804195      8.32478669     -7.09191593
  H     20.50726920      2.59569369    -13.71320870
  H     21.16442574      6.61941570    -13.63699778
  O     18.65899763      6.47504894    -15.76419121
  H     19.38465445      3.66045860    -13.70513188
  H     17.21794068      4.59385983    -13.55015520
  O     22.08309013      8.13155886     -9.39944531
  H     21.56220974      7.73578916    -11.13998142
  H     17.98109872      4.91374727    -14.85031327
  O     17.86369185      5.91015757     -7.35091672
  H     20.45746721      8.15720680    -12.13978459
  H     14.29874350     11.59112863    -10.95633438
  O     20.11425760      7.67893292     -7.56502323
  H     17.01553442      8.99244553     -7.20201048
  H     15.01172856     10.39337332    -11.62469671
  O     17.90782616      5.46175916    -10.03806987
  H     16.78866731      7.47526215     -7.08711934
  H     15.69970148      8.82617021    -13.33441961
  O     17.41233852     11.93418767     -9.64375286
  H     19.52763094      6.39646619    -15.32907357
  H     14.46241916      8.39501720    -12.52783760
  O     18.49034806      9.92964777     -8.14023036
  H     18.82532735      6.56423066    -16.69842953
  H     21.45067369      9.92984257     -9.46993878
  O     19.04391124      9.31337360    -12.30061008
  H     21.40829848      7.87369961     -8.74695728
  H     20.18375220     10.54918241     -8.85795625
  O     20.98337113      6.09359534    -14.42715042
  H     22.92548578      7.86875590     -9.03687496
  H     13.07424761      6.56662377    -11.18631145
  O     17.80098371      4.20791951    -14.21650584
  H     17.81655733      5.09841063     -6.85198179
  H     14.26559707      7.38768454    -10.63752980
  O     15.00315261     10.95949926    -10.83218469
  H     17.82565954      5.66278879     -8.29091709
  H     17.67499067      7.51167038    -14.60274870
  O     14.92248439      9.16901776    -12.87296183
  H     19.44864020      6.99314147     -7.43756014
  H     17.91675363      8.47076340    -13.40271166
  O     20.93534204     10.74423329     -9.43131698
  H     19.63375498      8.51510734     -7.51981423
  H     20.10105064     12.67651212    -11.85046461
  O     13.95057438      6.87428770    -11.40220361
  H     17.32648697      5.44273059    -10.80931338
  H     20.19259998     11.56720015    -10.77394506
  O     17.24218629      7.94536564    -13.85724222
  H     18.79729360      5.21365863    -10.33766234
  H     15.46809656      5.99391809    -12.04975448
  O     19.63168299     11.93266016    -11.48286281
  H     18.07547042     12.05129672    -10.33508047
  H     16.70208539      6.52237557    -12.81707497
  O     16.35963443      5.75682679    -12.33210740
  H     16.60488669     11.64599770    -10.08714094
  H     20.39309539      4.35604687    -11.78951103
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  H     18.31480952      9.26255932     -8.82414432
  H     20.65337058      5.81350988    -11.35548636
          69
 Energy    -248.32234183970655     
  O      4.88375546     -7.87040922     -0.65580082
  H      4.13972717     -8.25675992     -0.17158448
  H     -1.06498822     -4.51127228     -2.12943814
  O      1.46650966     -8.62157736     -3.63084192
  H      5.02546217     -7.01242127     -0.23898904
  H      4.23855291     -5.45674111      1.55502157
  O     -1.49883733     -7.59163683     -0.83220679
  H      1.08780100     -7.77722908     -3.91406085
  H      3.60421497     -5.54503875      0.15694745
  O      2.23146426     -2.79419750     -2.08587469
  H      2.41412004     -8.46650954     -3.54626524
  H      3.30736112     -6.05613264     -3.29075230
  O      4.17379236     -7.73139253     -3.27793428
  H     -0.76029678     -8.21935709     -0.88864074
  H      1.94183119     -5.51315620     -3.78557242
  O     -0.42453268     -2.83132628     -1.58646602
  H     -2.20966931     -7.98815513     -1.34949630
  H      1.06603618     -8.09072655      3.80853823
  O      0.42536658     -6.14704627     -4.49966317
  H      2.88052639     -2.67580175     -1.38287121
  H      0.59823344     -7.20477951      2.63154315
  O      2.24797827     -3.06866114      2.16599882
  H      2.49866974     -3.58617477     -2.57254353
  H     -2.75871496     -6.60229889     -5.01720012
  O     -1.11327939     -9.41400636     -4.62929199
  H      4.46282750     -7.81976636     -2.35301474
  H     -2.68104342     -5.90851393     -3.64117773
  O      0.52103144     -9.39069936     -1.10913617
  H      4.90811271     -8.00828231     -3.82001928
  H      2.16546351     -8.25775112      1.53965364
  O      0.19578343     -4.20911732      0.75272224
  H     -0.82486324     -1.99483984     -1.80689060
  H      2.21942628     -7.56520903      0.16505613
  O     -1.28545557     -5.36932462     -2.50787825
  H      0.52288717     -2.75990795     -1.80399708
  H     -4.07311050     -9.17139341     -2.71943282
  O      4.43483062     -5.34087808      0.61685749
  H     -0.12465812     -6.42496128     -5.24105707
  H     -3.35966493     -7.92209059     -3.28912157
  O      2.69687715     -5.31281746     -3.21237407
  H     -0.17968474     -5.85934523     -3.79829967
  H      1.33752095     -5.34385979     -0.16479739
  O      1.38384152     -7.50511286      3.12654554
  H      2.63094146     -3.83436849      2.61140813
  H      2.11129215     -5.70369359     -1.48336011
  O     -3.26659900     -6.42058308     -4.21675174
  H      2.89507453     -2.79001334      1.50620006
  H     -1.53568073     -7.52141559     -7.18456839
  O      2.46021143     -8.38322715      0.63190468
  H     -0.22564945     -9.38047916     -4.25245294
  H     -1.34588291     -8.10470348     -5.76263889
  O     -3.23052340     -8.72648419     -2.75628924
  H     -1.73553107     -9.33234901     -3.89624891
  H      3.75667622     -5.58410664      4.09755072
  O      1.99576944     -5.93363383     -0.55368841
  H      0.89799218     -9.18795977     -1.97580943
  H      2.65815500     -6.20913135      3.21379000
  O     -1.44385516     -7.27662372     -6.26827275
  H      1.22351713     -9.23380945     -0.46576145
  H      4.97607023     -2.17947546      0.01346134
  O      3.35288745     -5.53185506      3.23412635
  H      0.83816373     -3.71980295      1.28770343
  H      4.38865564     -3.59739807      0.20038753
  O      4.15631291     -2.66683159      0.04316635
  H     -0.11366059     -3.62588339      0.05037477
  H     -0.51036532     -5.72074092      1.45622290
  O     -0.71243969     -6.63600252      1.69794433
  H     -1.29594964     -6.04045850     -1.81011545
  H     -1.08756269     -7.03534495      0.90279682
          69
 Energy    -248.32224531725745     
  O     12.55709338     10.40279759    -15.73832907
  H     13.21924409      9.97253277    -16.28929160
  H     19.57479395      7.55392151    -14.34759743
  O     16.37674935      6.56495869    -13.58900011
  H     12.94954948     11.23504850    -15.44727792
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  O     17.04319723     10.27115797    -11.38486849
  H     15.50842183      6.41104088    -13.19346762
  H     16.58491516     11.79603886    -16.77384812
  O     18.25986658     11.11877180    -16.53642666
  H     16.96243012      6.83507612    -12.86650328
  H     16.89962984      9.51937527    -14.46099398
  O     13.60414224      6.76696342    -17.13057289
  H     16.23408081     10.55637194    -11.83280746
  H     16.09562353      8.20029203    -14.25773300
  O     13.71151672      8.60362548     -9.28508059
  H     16.81371216     10.17323688    -10.45170456
  H     10.14316600      9.11596241    -14.16384426
  O     13.93316737      6.47136383    -12.28976460
  H     18.19601826     10.24022793    -16.92874816
  H     11.56255893      9.46985049    -14.67158333
  O     14.77318095     10.85817841    -12.90617528
  H     18.44926805     10.97948684    -15.59914406
  H     17.43196189      7.04844058    -10.05073694
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  H     13.19061098      6.62040524    -16.26251273
  H     16.75909348      7.85945334     -8.93506849
  O     14.46862294      5.84235242     -9.60110502
  H     13.35728497      6.01973469    -17.66813266
  H     11.87110419      7.25051352    -14.48183526
  O     18.47142583      6.84769799    -15.48156718
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  H     12.92237936      6.30351709    -13.87586747
  O     20.06832152      8.01447591    -13.64396730
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  H     18.13272298     10.49316408    -12.95365576
  O     15.63056769     11.91780899    -16.88419734
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  O     11.06768821      8.92247037    -14.03525356
  H     15.13498113     10.20623991    -13.52800538
  H     18.87604494      7.72488072    -12.21399407
  O     16.91853918      6.95669606     -9.23655158
  H     14.50971891     11.61489736    -13.44293636
  H     16.12270163     10.18757815     -7.96742161
  O     12.43190359      6.49208608    -14.68546190
  H     16.61202422      8.69977165    -17.55082467
  H     15.23660404      9.37009022     -8.93761380
  O     18.47745206     10.32787564    -13.84023063
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  H     12.17948777      9.04005004    -12.55395718
  O     18.07771839      7.66191290    -11.67600950
  H     15.37835055      6.15977400     -9.45797417
  H     13.51873008      9.75186715    -12.22285602
  O     16.14291495      9.69328317     -8.78245668
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  H     14.64758744     12.51262982    -15.59683955
  O     12.91047241      9.06122913    -11.92411008
  H     18.14852555      7.35788108    -16.23379922
  H     13.79287415     13.63098739    -14.95336369
  O     14.02051207     12.70878198    -14.87606160
  H     17.69619148      6.57006291    -14.97530242
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  O     14.87062377      9.15349081    -17.03946828
  H     20.98932786      7.80052420    -13.76152737
  H     14.41623915      8.30402180    -17.15749125
          69
 Energy    -248.32223182965018     
  O      3.12666522     -0.71652932     -2.80304047
  H      3.70802618     -1.46076620     -2.60715142
  H      2.98586948      1.53946076     -0.13568765
  O      0.54844453     -1.17882272     -3.66260119
  H      3.19889911     -0.10635700     -2.05526583
  H     -1.21842458     -2.49629564      1.17074694
  O      2.34472783     -3.47078367     -0.44502754
  H      0.42255522     -0.55745965     -4.38873315
  H      0.15059773     -1.84647705      1.36522591
  O      2.76467503      3.23810104     -2.60237387
  H      1.46917149     -1.07504474     -3.37167848
  H      4.92512490     -2.17861210     -0.99517758
  O     -0.56731206      4.12418955     -0.82770845
  H      3.15955358     -3.39247075     -0.95307973
  H      5.56055073     -3.18968795     -1.98620707
  O      2.21279047      4.81480185     -0.30736721
  H      1.60893874     -3.59879787     -1.06299519
  H     -2.96909716     -2.24060336     -0.84874306
  O      0.12349261      2.28849277     -2.88445831
  H      1.85758121      2.91211092     -2.70335290
  H     -1.63533128     -1.46697155     -0.87227834
  O      3.11986660      1.38272739     -4.71858040
  H      2.71171666      3.93316232     -1.93531991
  H      3.26714531     -2.59210112      2.74282765
  O      1.95650016     -3.65401333      2.29626305
  H      0.28033229      4.55281104     -0.66186198
  H      4.53967900     -2.29973863      3.57198288
  O      1.92463833      2.46506084      1.08326399
  H     -0.44902575      3.64093944     -1.65640782
  H      1.50067159      0.25611145      3.02262246
  O     -0.45688785     -0.07091477     -1.36082538
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  H      2.93998243     -0.39889224      2.97131398
  O      3.57721344      1.22385333     -0.83085060
  H      2.18777996      4.03104350      0.26872388
  H     -0.89944721      2.72386693      0.29767944
  O     -0.55622276     -2.30662668      1.84355356
  H     -0.07494105      1.53192571     -2.31898640
  H     -0.87631543      1.19985636      0.04989610
  O      4.74073770     -2.76279195     -1.75484469
  H      0.11856346      1.95984689     -3.79220209
  H      4.66077447     -1.26614496      1.20002912
  O     -2.04349287     -2.31026733     -0.62468005
  H      3.18570335      2.14493425     -4.12850745
  H      4.57832557     -0.19683806      0.06443508
  O      3.96765802     -1.93467817      2.90208714
  H      3.28102948      0.60781049     -4.16347829
  H      1.47265133      1.19015498     -5.28019995
  O      2.40592352      0.34955578      2.68300184
  H      1.03088830     -3.39441834      2.36550613
  H      0.32309055      1.26329724     -6.31679498
  O     -0.81230453      1.86642798      0.74306405
  H      2.11712482     -3.78687234      1.34977783
  H      1.86552044     -0.52926624      1.08662455
  O      4.96243796     -1.04745283      0.31104459
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  H      1.88859731     -1.76330382      0.10220484
  O      0.51552477      1.05496608     -5.40692342
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  H      0.25026731     -0.32718606     -0.74364311
  H     -0.58376695     -0.65654915      2.83741107
  O     -0.29758378      0.22725616      3.10198635
  H     -0.22235448     -0.47159839     -2.21145941
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  O      0.15166584     -3.52527135     -2.10253444
  H      3.52510032      1.90845265     -1.51074548
  H     -0.65276324     -3.30831193     -1.61772958
          69
 Energy    -248.32211059659710     
  O     15.83263994      7.04600104    -12.88610688
  H     16.79172169      6.92732958    -12.90388542
  H     15.92033936     11.80782706    -17.21476342
  O     17.80503497      9.49064687    -16.47081742
  H     15.46628017      6.53483849    -13.62042694
  H     16.00269875     10.04177251    -14.14070629
  O     12.66032963      7.22461705    -14.52536301
  H     17.48601400     10.16743269    -17.07832688
  H     15.81498436      8.49869268    -13.98031189
  O     16.76255347     11.52499711     -9.57729687
  H     17.06920497      9.31991656    -15.86105525
  H     11.99272182      9.78810892    -12.60535429
  O     14.38467784      8.32917259    -10.94551917
  H     13.37480839      6.63090851    -14.78060319
  H     12.94452418     10.97644598    -12.38842246
  O     16.27554315     11.60903847    -13.34167828
  H     12.80604166      8.05517208    -14.99372784
  H     18.79002752      7.49913787    -11.52989080
  O     17.75773831      6.81809566    -17.30169689
  H     16.68870243     10.58188875     -9.34022997
  H     19.67565741      7.83431092    -10.31412040
  O     16.54517337      8.85055564     -9.21704059
  H     16.89684750     12.00607442     -8.76537295
  H     10.99970335      7.51578472    -11.81371657
  O     14.97027286      6.72918233    -17.86607257
  H     13.46000599      8.15195446    -11.15664879
  H     12.08924590      7.60787957    -12.90820128
  O     15.05779590      5.74508497    -15.23288340
  H     14.90675275      7.84002907    -11.59930980
  H     19.17497018      9.92662919    -13.54135657
  O     17.85629249      5.06771594    -15.26044678
  H     17.10478886     11.38560934    -12.89964046
  H     18.95624996      9.43632806    -14.99943185
  O     16.35501542     11.38705501    -17.97820008
  H     15.58448941     11.52606949    -12.66794544
  H     18.46493495      6.13957044    -13.84936048
  O     15.79923693      9.22283130    -14.61574939
  H     17.91228264      7.74845669    -17.08946476
  H     18.91348225      7.61542836    -13.58570323
  O     12.28803467     10.61861055    -12.99886936
  H     16.85400855      6.77551612    -17.63855151
  H     18.58720394      9.80878092    -11.45863170
  O     18.84194696      8.04542740    -10.72921186
  H     17.29143748      8.44541931     -9.67590004
  H     17.95861024     11.13664154    -11.03327102
  O     11.82235851      7.94430547    -12.03411178
  H     15.74797282      8.56758752     -9.68574580
  H     13.80927398      9.60599157    -17.22270958
  O     19.37575160      9.21488930    -14.15652157
  H     14.51675625      6.28498892    -18.57787879
  H     15.00928715     10.01854366    -18.10551225
  O     18.58680560      6.80406001    -13.16134147
  H     14.73928932      7.67220723    -17.93640392
  H     14.47057045     10.14316177    -11.16911119
  O     18.40583375     10.70377698    -11.77311134
  H     14.98223704      6.10310188    -16.12907076
  H     15.15237412     11.41504953    -10.62070725
  O     14.32839622      9.34444549    -17.99500931
  H     15.93669336      5.34651239    -15.19558023
  H     15.51779467     12.24526443    -14.94829767
  O     14.51170373     11.10620224    -11.27257537
  H     18.27327850      4.25705561    -15.54020777
  H     14.27309555     11.72802419    -15.69126795
  O     15.03795348     12.30590994    -15.78555777
  H     17.90447090      5.68488882    -16.01446385
  H     12.84696907     10.23804977    -14.65069701
  O     13.29595711      9.93058652    -15.45291412
  H     16.51326654     12.07558032    -18.61829869
  H     14.18901276      9.65331776    -15.18767756
          69
 Ord_Energy   -248.322098    
 O    3.50629830       3.56667495       10.8427143    
 H    3.94049454       2.81507897       11.2863836    
 H    2.77095675       3.82868481       11.3896704    
 O    7.87854910       2.66083288       4.78149986    
 H    8.15095329       2.88180065       5.68794107    
 H    8.66461563       2.69830728       4.24225569    
 O    9.39006329      0.490158141       7.89056587    
 H    9.50138950      0.234493509       8.81369305    
 H    9.30023098     -0.340271384       7.40724325    
 O    2.16971660       5.64255901E-02   8.85078430    
 H    2.57558918      0.917134941       8.69443607    
 H    2.59079194     -0.298228383       9.64264870    
 O    9.09279346      -2.11744976       6.77768755    
 H    9.73868752      -2.63730502       6.30725956    
 H    8.25740147      -2.19508147       6.28287363    
 O    6.29616308      0.523566902       5.72498035    
 H    6.89355850       1.18663645       5.36012363    
 H    6.32233572      0.591719508       6.69083691    
 O    9.33103561     -0.354452640       10.6490879    
 H    9.89795876     -0.293395102       11.4132471    
 H    8.61896229      0.296181023       10.7728300    
 O    4.35241508      -3.14281964       6.75801039    
 H    3.90068865      -3.95849729       6.56032085    
 H    3.72696996      -2.42015862       6.56311035    
 O    3.68112445      -1.05940819       11.0347281    
 H    3.34414029      -1.75124478       11.5987654    
 H    4.28650475      -1.48392069       10.4024582    
 O    7.33393812       1.50032604       10.6414070    
 H    6.89760494       1.22454715       9.81940079    
 H    7.66218281       2.39835787       10.5103731    
 O    2.68511629      -1.07941628       6.37267160    
 H    2.39325905     -0.765184522       7.24142838    
 H    2.90050364     -0.288475990       5.86754751    
 O    4.77635813       1.42414451       11.8538609    
 H    5.69922447       1.41730773       11.5693426    
 H    4.41273880      0.555556417       11.6404619    
 O    8.23034954       4.11260414       10.0798321    
 H    7.34956789       4.53010511       10.0718451    
 H    8.81620693       4.71380377       10.5313511    
 O    5.72971821       5.09091616       9.86720276    
 H    5.63352442       4.91416550       8.92007542    
 H    4.96802330       4.67896748       10.2915211    
 O    8.32314301       2.96986628       7.47543955    
 H    8.68985462       2.08021569       7.60947895    
 H    8.44161415       3.44564605       8.30492020    
 O    5.87628317      0.614621758       8.47395611    
 H    5.65579271     -0.308590770       8.66048527    
 H    5.06041050       1.13021469       8.49360657    
 O    6.72568130      -2.20357966       5.50161219    
 H    5.93228245      -2.61441541       5.86370850    
 H    6.53408384      -1.25598598       5.44817162    
 O    5.19672489       3.79612136       4.60401297    
 H    6.07247782       3.42494893       4.44048214    
 H    4.58966446       3.04796505       4.67501497    
 O    3.68702960       1.47860765       5.48508692    
 H    4.57555962       1.09036565       5.52655983    
 H    3.49724054       1.81119287       6.36937857    
 O    8.01255035      -2.53301692       9.37285137    
 H    8.41467762      -2.49469209       8.49534321    
 H    8.48473072      -1.87924325       9.90277290    
 O    5.35252190      -2.04369140       9.12969208    
 H    5.01372480      -2.49366927       8.34587860    
 H    6.27983999      -2.29858708       9.25486946    
 O    3.70568061       2.42316389       8.30726242    
 H    4.37350464       2.99765229       7.90081263    
 H    3.50940251       2.82398915       9.16515541    
 O    5.68317270       4.02427435       7.29222727    
 H    6.54918432       3.60159874       7.35179615    
 H    5.47457552       4.11530781       6.35160828    
          69
 Energy    -248.32203949024540     
  O     13.39618546     12.38643908    -10.11408260
  H     13.47201900     13.07174366    -10.79390336
  H     10.79241874     14.03161161    -13.23308680
  O     10.98040026     11.76121584    -15.15899262
  H     13.42587565     11.52257217    -10.55321847
  H     14.16703079     13.59797847    -12.66076756
  O     13.36458682      9.90778541    -11.38797277
  H     11.21432000     12.57917528    -14.69738627
  H     14.52679272     14.86243950    -11.86345868
  O     18.64725934     12.08499346    -14.26406830
  H     10.27608131     11.35455117    -14.63771240
  H     12.38628825     16.01659146    -16.30389692
  O     10.68003427     12.48291584     -9.64373692
  H     14.15800212      9.36143703    -11.38691930
  H     12.27371864     14.89975921    -15.24178178
  O     10.55508799     10.01049710    -11.07645338
  H     13.18363012     10.09164250    -12.32433462
  H     15.08152057     12.92734341    -14.45020744
  O     13.10241670     10.38165394    -14.04304804
  H     19.57643692     12.16370499    -14.46208084
  H     14.24798341     11.70401618    -13.90929895
  O     16.34429815     15.27935681    -11.43271301
  H     18.30619086     12.99118099    -14.15879866
  H     16.35572026     11.04827639    -16.50526903
  O      9.15065753     10.73610482    -13.28843552
  H     10.46840934     12.71807340     -8.74383740
  H     17.44859636     11.03733673    -15.40751637
  O     15.40292739     14.20250019    -15.75850331
  H     11.64895928     12.49626233     -9.71442693
  H     12.62638116     13.51922479    -17.01223022
  O     15.29870905     12.16136425    -17.65846604
  H     10.49501042     10.77526865    -10.49033386
  H     11.99634540     12.15823041    -16.70146649
  O     11.57321884     14.20226025    -13.78027826
  H     11.49538725      9.79530512    -11.12259850
  H     16.30803507      9.51609200    -12.02059409
  O     13.78164899     14.30639630    -12.11679818
  H     12.36779713     10.67078262    -14.59269544
  H     16.47090568      8.07544727    -11.48570540
  O     12.75447947     15.17706883    -16.04059999
  H     13.64855977      9.71130018    -14.48241696
  H     15.72938810      9.22748971    -15.18019728
  O     14.87400232     12.40135074    -13.66892462
  H     16.70180596     15.96673803    -10.87671624
  H     15.36521427      8.49662252    -13.86644373
  O     16.83512826     10.47610619    -15.89436511
  H     16.38171474     14.45443800    -10.91569059
  H     16.15499490     11.58983859    -12.74155098
  O     12.64396851     12.58979263    -17.27276629
  H      9.65897981     10.39223281    -12.53219921
  H     17.66889447     11.36797668    -12.83012380
  O     15.85804518      8.65940153    -11.92526629
  H      8.35962499     10.20722390    -13.34908185
  H      9.26535954     12.51778450    -12.52985368
  O     15.05619502      8.66786322    -14.76279565
  H     14.54892444     14.64371928    -15.84927892
  H      9.88495523     13.14615958    -11.26788640
  O     16.90181787     11.17905649    -12.27672271
  H     15.48303078     13.58594677    -16.49909181
  H     16.82870488     14.58529197    -14.61959884
  O      9.55215207     13.35697375    -12.14914251
  H     15.46917014     12.05609044    -18.59114210
  H     17.15413445     14.83660399    -13.12651598
  O     17.53781258     14.54871302    -13.96304729
  H     14.33095070     12.19846424    -17.55598843
  H     15.34537398     12.65532073     -9.91631267
  O     16.25787212     12.89044830    -10.12187069
  H     12.31570505     14.30872741    -13.16918827
  H     16.57094435     12.23322830    -10.75821523
          69
 Energy    -248.32188671301321     
  O     -1.10037463      3.59144923      2.60028498
  H     -0.46014961      2.89613512      2.79561809
  H     -0.78933846      8.33421902      0.80200648
  O     -2.88341850      5.67673019     -0.48009559
  H     -1.74994593      3.26013879      1.96482062
  H      1.89606909      2.00314231     -0.07508128
  O      4.04375996      5.81378256      1.90610534
  H     -2.06682265      5.78408075     -0.99050342
  H      0.56340070      1.23830573     -0.06523361
  O      1.69154992      7.25472961      2.34812886
  H     -2.85341814      6.35171076      0.20861957
  H     -0.15493546      4.26704759     -2.44999797
  O     -0.37895993      5.83589145     -1.57826550
  H      4.97422684      5.94851268      2.06584578
  H     -0.30789812      2.74507595     -2.14805060
  O      2.22386933      3.65755481     -0.94942059
  H      3.91178745      5.91597859      0.94646602
  H      0.96500290      8.27070797     -0.90231105
  O      0.57792254      5.04457149      0.87540511
  H      1.43427906      7.06820263      3.25980124
  H      1.59739654      8.70469771     -2.24737868
  O     -2.43582258      7.60580764      1.52730960
  H      2.58345036      6.90118098      2.23360480
  H     -3.02456883     -0.26462609     -3.27577087
  O     -1.04636093      1.51677274     -0.95075903
  H     -0.09014133      5.57459216     -0.68877638
  H     -2.84466176      1.27570736     -3.27111941
  O     -1.52584207      6.13063413      3.61394541
  H      0.18485774      6.57816442     -1.82438104
  H      2.06717856      3.44619132      3.48888842
  O     -2.83166422      3.07976401      0.51431483
  H      1.64593192      3.53776180     -1.71446989
  H      3.02109216      4.61290134      3.10316122
  O      0.09679246      8.62300007      0.55745596
  H      1.68990032      4.09353131     -0.26650041
  H     -4.62176939      3.52298888     -2.02453045
  O      1.40815779      1.31734024      0.39825778
  H      0.92706306      5.79593529      1.36891813
  H     -3.89968577      4.87041750     -1.86961267
  O      0.05879266      3.38078395     -2.77971680
  H      0.00255612      4.55403360      1.47456914
  H     -3.05170618      3.39120917     -3.61982062
  O      1.44949962      7.94918991     -1.68501988
  H     -3.07083956      8.23486311      1.86114772
  H     -1.54875721      3.04650055     -3.80845886
  O     -3.05553267      0.50296978     -2.71217169
  H     -2.11518445      7.10192874      2.29664071
  H      1.21634439      1.08699560      3.52407112
  O      2.46582055      4.26350707      3.81020020
  H     -1.63678072      1.01034813     -1.51992598
  H      1.24520576      1.63465613      2.07750717
  O     -4.25592769      4.25923973     -2.52720805
  H     -1.61290105      2.08102900     -0.40586521
  H      1.51518959      5.50624643      4.58501656
  O     -2.44255969      2.75499990     -4.02405129
  H     -1.48423923      5.20227760      3.34288368
  H      1.30111377      6.46239484      5.78338093
  O      1.08557614      1.87757276      3.00729774
  H     -0.74334683      6.26676438      4.15981882
  H     -5.66513709      1.35995876     -0.91710490
  O      1.01410123      6.28385495      4.89225531
  H     -3.60206721      2.62976040      0.14731774
  H     -4.28314348      1.27431068     -1.60409051
  O     -4.83108399      1.81345641     -1.01098311
  H     -2.86086404      3.99359144      0.19301451
  H      3.18484128      5.25449481     -0.97654618
  O      3.50466538      6.13296009     -0.72734658
  H      0.68547940      8.27422167      1.24318042
  H      2.86887184      6.76640897     -1.07927002
          69
 Energy    -248.32187498065218     
  O      6.50728741     -3.82278819     -0.37295730
  H      5.63174653     -3.77273841     -0.77724277
  H      3.18424526     -2.39196487      3.46032013
  O      3.39667352     -5.07702994      2.38212036
  H      6.36512383     -4.04181176      0.55559910
  H      4.87176553     -0.51784829      0.04259309
  O      3.86158041     -3.29056373     -1.25338727
  H      2.88809273     -5.07880718      1.56310445
  H      4.36420462     -1.33791866      1.26522898
  O      8.06138237     -1.59949951     -0.69421838
  H      2.96275378     -4.43075018      2.95639284
  H      4.60282180      0.73415584      4.12020518
  O      5.47037325      2.13666339      1.52574236
  H      3.13404252     -3.80736348     -0.88923034
  H      6.01232808      0.96338822      4.72509488
  O      3.62257749     -1.29161162     -3.24970569
  H      3.98044993     -2.52889700     -0.66368781
  H      6.52940592     -4.97594570      2.88843125
  O      2.87813638      2.19560651     -2.00411954
  H      7.53877998     -2.41471799     -0.60545688
  H      5.09571374     -4.68558977      2.38404989
  O      4.81952081     -1.85282648      2.91048840
  H      8.92265481     -1.87140051     -0.99832413
  H      1.15872988     -2.68246045      2.28158018
  O      1.50828170     -0.57686896      0.01850019
  H      5.57231492      1.63871193      2.34378214
  H      0.85248030     -1.91022282      0.95692606
  O      1.22631448      0.16592410     -2.64533685
  H      5.86880208      1.60096583      0.82471681
  H      2.40670973      1.06916264      3.45393264
  O      1.39733029      1.40825170      1.92711934
  H      3.70077590     -2.06876969     -2.68169841
  H      2.32670232      0.26990274      4.77002366
  O      2.33693531     -2.81121589      3.67299951
  H      2.73454502     -0.93787054     -3.11645327
  H     -0.34475827     -1.15063862      2.58168525
  O      4.14836161     -1.07173854      0.36190247
  H      2.99356132      2.54818667     -1.11370015
  H      0.04770883      0.33357775      2.76515566
  O      5.55890159      0.60872811      3.96540127
  H      3.74436157      1.90494349     -2.31549740
  H      1.09898590     -5.28716823     -0.27868957
  O      6.00771542     -4.34206281      2.40349318
  H      5.42770273     -2.59761892      2.82485929
  H      1.21638976     -3.98920865      0.54952787
  O      0.54813608     -2.63185262      1.53060256
  H      5.26370356     -1.09681890      3.31450253
  H      0.41921557     -0.76927770      4.67133429
  O      2.89957079      0.84955601      4.25596191
  H      1.31282773     -0.36886438     -0.90214463
  H      0.51999928     -1.01616503      6.19608582
  O     -0.42339503     -0.40054818      3.18238580
  H      2.46729324     -0.70295631      0.09744374
  H      4.69563195      0.07527105     -3.16349563
  O      1.72939019     -4.66423477      0.07495438
  H      0.50184797      0.44909430     -3.19583004
  H      5.62168192      1.07798026     -3.89244418
  O      1.03365820     -0.99463721      5.39367532
  H      1.75985501      0.95856856     -2.44702075
  H      6.01041515      0.66351392     -1.42763915
  O      5.20410759      0.89964847     -3.05417137
  H      1.40330793      0.72099355      1.24432526
  H      6.97665479     -0.21639301     -0.57147564
  O      6.28491855      0.46077098     -0.52435844
  H      1.89797157      2.14110870      1.54873682
  H      3.99587652      2.84814857      0.99001679
  O      3.15876129      3.21966232      0.65691385
  H      1.93238066     -2.29170156      4.37704348
  H      3.21493882      4.16471416      0.77357346
          69
 Energy    -248.32177833672458     
  O     14.14689149      5.67857329     -8.48776712
  H     14.68449977      5.19005730     -9.11973497
  H     11.54732042     10.65493597    -15.31827856
  O     13.25638300      5.98801290    -16.34352119
  H     13.21984586      5.57252081     -8.75241113
  H     12.60623047      7.54529719    -13.80978592
  O     16.69996410      6.08466421    -14.60012114
  H     14.03433558      6.48040302    -16.63263667
  H     12.28526546      7.00121969    -15.22692517
  O     16.17920731     10.84192503    -13.38343624
  H     13.60393859      5.19980620    -15.90634538
  H     16.63368740      7.94789064    -11.89131692
  O     10.07413236      6.86742878    -12.53682286
  H     16.48646135      6.47417218    -15.45728465
  H     16.47814872      9.07634967    -12.97911707
  O     17.72925291      4.26765729    -12.77972769
  H     16.65753093      6.81546637    -13.96272231
  H     14.69321727      7.70335199    -12.66744373
  O     10.90084751      4.25718559    -11.75317842
  H     16.67331499     11.64118259    -13.22578388
  H     13.48088083      8.02689421    -11.75278037
  O     16.66713336      7.39070138    -10.24478360
  H     15.29141118     10.97718481    -13.00310108
  H     11.23214511      5.06309017    -10.04999714
  O     13.65157848     11.05116935    -12.48029380
  H     10.60365357      7.09859417    -13.31091188
  H     11.12725478      6.48469825     -9.48172987
  O     16.33484282      2.06542896    -13.88567821
  H     10.24906272      5.93541846    -12.35416664
  H     13.84384771      4.45697346    -13.23740954
  O     14.96745585      9.77792098    -15.74677127
  H     17.44787259      4.90597562    -13.45634204
  H     13.55627562      5.71547903    -12.36533596
  O     12.28167589     10.24518522    -14.86850211
  H     18.64878075      4.45131883    -12.60070896
  H     15.45163975      8.27952925    -16.47549097
  O     11.94673300      7.56954602    -14.52055607
  H     11.83943320      4.35114934    -11.99313791
  H     16.03509109      7.59871998    -17.73563335
  O     16.46716792      8.12360001    -12.83123898
  H     10.64892412      3.36216281    -11.96355305
  H     15.35849107      4.81662556    -14.74429448
  O     13.77710353      7.46459809    -12.48022824
  H     16.36383612      6.47624430    -10.32679461
  H     15.16299061      3.28720402    -14.61165836
  O     11.51278802      5.61743083     -9.31244654
  H     16.08397946      7.80434408     -9.59805934
  H      9.58342118      8.48593868     -9.86872963
  O     13.50088361      4.74727459    -12.38133602
  H     13.37864531     10.49396132    -11.73928255
  H     10.24738643      7.73790896    -11.04986071
  O     15.70625191      7.42063515    -16.85842860
  H     13.08583063     10.82247280    -13.22826713
  H     16.46855478      4.48689867    -11.30805153
  O     14.69344134      4.11402441    -14.78564482
  H     16.28973879      1.31814508    -13.29328397
  H     14.94161221      4.65648392    -11.24186507
  O     10.41710529      8.14412541    -10.18020701
  H     16.90636324      2.71573453    -13.45081068
  H     14.81674974      8.60096321     -7.52275083
  O     15.74914362      4.72411971    -10.71247289
  H     14.04338364      9.97022539    -15.54689743
  H     14.45294740      7.35841825     -8.37228173
  O     14.65347979      8.31248865     -8.41638269
  H     15.47713364     10.18148058    -15.03434482
  H     13.52830994      8.95785194     -9.71684893
  O     12.97726132      9.19603744    -10.47432464
  H     12.06719155      9.30020783    -14.78492990
  H     12.07366201      8.90376718    -10.29376775
          69
 Energy    -248.32175913227567     
  O     14.43256266      9.38749885    -15.81446284
  H     13.58117612      8.93771256    -15.89105976
  H      9.24701294      3.34144978    -10.82585988
  O     10.76040720      9.31646683    -11.57400353
  H     14.26951292     10.17039899    -15.27494214
  H     10.39734029      5.64105908    -11.11946583
  O     15.26334614      6.28896151    -10.04173248
  H     11.41947527      9.53841905    -10.90685784
  H     11.47885361      6.62390008    -10.59396860
  O     13.61506162      2.28831146     -9.59680227
  H     10.60987126      8.36609643    -11.49132468
  H     17.33663907      4.93805266    -13.27911118
  O     12.93529706      9.79210178     -9.71899051
  H     15.31652804      5.37267205    -10.34671455
  H     17.03322686      4.40551030    -11.87812173
  O     13.74951236     11.52315656    -13.98730065
  H     16.14816902      6.67401756    -10.13380838
  H     14.45258533      8.52290570    -12.14314609
  O     11.37501337     10.31533215    -14.05910043
  H     13.07687085      2.99448126     -9.19601753
  H     14.75236116      7.10509821    -11.57037240
  O     15.38866148      3.76722874    -11.16437076
  H     13.70913796      1.60493748     -8.93906434
  H     11.36970642      7.61061883    -16.37740632
  O     12.09447773      2.56435568    -12.01163152
  H     12.94650246     10.47897175     -9.05578509
  H     12.02087532      7.39540386    -14.99211561
  O     14.80470515     10.27585322    -11.73967466
  H     13.63399012     10.01330485    -10.35469843
  H     17.09370037      8.90815050    -13.37856211
  O     11.97894154      4.26444288     -8.70161681
  H     13.67389685     12.43479353    -14.25507969
  H     18.16920247      9.93729138    -12.96768509
  O     10.04295720      3.86445790    -10.78873643
  H     12.84797776     11.14830362    -14.00365261
  H     13.64238011      6.69117901     -9.46356009
  O     10.79802122      6.50519424    -11.27289110
  H     11.41021369      9.55817562    -14.65390504
  H     12.73620081      7.92238275     -9.28998632
  O     17.66691454      4.94085242    -12.37469902
  H     11.07995585      9.98328851    -13.19736125
  H     17.68852530      8.02388064    -11.36253219
  O     14.45904895      7.58208115    -12.35766821
  H     14.86872517      3.87267387    -11.97397279
  H     17.82102167      6.48037696    -11.38015903
  O     11.90982343      8.03487932    -15.71565101
  H     14.89188276      3.17607441    -10.58569114
  H     11.67993029      6.38192772    -12.85070717
  O     17.38852505      9.48542274    -12.65566572
  H     12.63682963      2.31766412    -11.25128974
  H     13.10157208      6.87183079    -13.17519481
  O     12.72749423      6.95868202     -9.28301159
  H     12.69351171      2.97225505    -12.64852298
  H     15.64135326      8.33447348    -15.07434024
  O     17.69192431      7.24561997    -10.79749891
  H     15.74060998     10.12193809    -11.92215310
  H     15.59902479      7.60035554    -13.71188986
  O     12.33968427      6.40627862    -13.55655504
  H     14.44638290     10.76824635    -12.49277783
  H     16.28610543      6.02815189    -14.88095907
  O     16.16339061      7.76971691    -14.48346460
  H     12.20509611      5.20240833     -8.72957604
  H     16.67530535      4.82177836    -15.76420664
  O     16.27244018      5.05790730    -14.93195185
  H     11.21374431      4.15377107     -9.27994957
  H     13.33938297      4.86913875    -13.60874238
  O     13.94852702      4.11945305    -13.55123953
  H     10.72198323      3.38323313    -11.29490925
  H     14.70704550      4.34031489    -14.10575135
          69
 Energy    -248.32157288326817     
  O     -4.16703741      1.25330532      1.54894558
  H     -4.09453681      2.12579453      1.97294320
  H      1.60611771      1.49819565      4.56099403
  O     -2.97264667     -2.64707876      0.71704421
  H     -5.09789268      1.04667991      1.51379293
  H     -2.32986951      3.07131461     -1.06498588
  O      0.71178261      3.62577622     -1.92916095
  H     -2.09421629     -3.04153335      0.66259997
  H     -1.10636298      3.94113056     -1.41445941
  O     -2.68503840      1.23315911     -0.83116648
  H     -2.95591735     -2.07373506      1.49613083
  H     -1.44767670     -1.66853985     -1.91636339
  O      1.02107196     -0.31595975      4.72980627
  H      1.21200946      3.87500917     -1.13086628
  H     -0.16589495     -0.83552372     -1.75707068
  O      1.99959271      4.28114664      0.34568075
  H      1.12543886      4.07090925     -2.66354214
  H     -1.48379624      2.49060502      3.54256366
  O     -0.72573463      2.27410869      1.96449212
  H     -3.11144294      1.28675763      0.03463437
  H     -1.22535842      3.43305955      4.73484122
  O     -1.81040409      0.12719104      5.22658770
  H     -2.97728088      0.40068535     -1.22295190
  H     -2.39676069      4.98406897      0.27589901
  O     -3.33332830     -1.38249986     -1.65815321
  H      1.49736527     -0.97115436      5.23543434
  H     -2.98631003      6.32834093      0.76478627
  O     -2.61872075     -0.76606233      2.75990029
  H      0.74179561     -0.75244682      3.90870332
  H     -3.29988071      3.44494340      3.45448526
  O      0.05263420     -1.38668439      2.36353007
  H      1.35261709      4.67211331      0.95135205
  H     -3.51060755      4.33812363      2.20946095
  O      1.92208746      2.40244399      4.44593412
  H      2.53190968      3.67976247      0.87794392
  H      0.33412938      1.83463949     -1.66356313
  O     -2.01150139      3.98298457     -1.08408299
  H      0.00933825      1.72717431      1.67214469
  H     -0.88616606      1.07631662     -1.08158515
  O     -0.49240810     -1.74422723     -1.79932000
  H     -0.43468486      3.18814213      1.85303829
  H      0.91918778      3.78131756      4.73680750
  O     -1.85295948      2.78688121      4.39303651
  H     -0.85840694     -0.02147759      5.23763880
  H      0.64898853      5.05032883      5.58133254
  O     -2.56852071      5.52643559      1.06759063
  H     -1.91668976      1.07841393      5.07885741
  H      0.99017418     -0.15202247      1.44768296
  O     -3.93149005      3.66181067      2.75377392
  H     -4.03049258     -1.79811331     -2.15800802
  H      0.99716138      0.68456557      0.13003354
  O      0.04042954      0.97191695     -1.34598240
  H     -3.28750188     -1.84272171     -0.80032876
  H      0.21398844     -4.16039769      0.13168833
  O      0.31621118      4.53995810      4.84863249
  H     -3.09181447     -0.02243296      2.36640587
  H     -0.22114925     -2.78437170     -0.42733554
  O      1.41491199      0.58978620      0.99780607
  H     -2.45603581     -0.53940692      3.68755805
  H      2.66589750      1.62383277      1.58271497
  O     -0.18654715     -3.33149946      0.37843833
  H     -0.87183975     -1.11096940      2.45866845
  H      4.16527457      1.94648320      1.79540111
  O      3.28554838      2.28306617      1.94536362
  H      0.05991953     -2.13573944      1.75474874
  H     -0.88839320      5.33147521      1.83554106
  O      0.00127822      5.04573504      2.08035442
  H      2.44619387      2.40761017      3.63550560
  H      0.05781971      5.00065534      3.04321249
          69
 Energy    -248.32147936708813     
  O     -2.44357274      4.66804338      1.34112612
  H     -2.53795682      4.10412053      2.12831060
  H     -5.87092184     -1.17644741      1.75313035
  O     -2.61895200      2.74141975      3.30371386
  H     -2.82391807      5.51459558      1.56241438
  H     -3.38590204     -1.19304038      2.47129775
  O     -0.53246857     -0.49209762      4.59999167
  H     -2.22300313      2.62009778      4.17369061
  H     -2.07823450     -2.02035583      2.27915750
  O     -1.28066907     -3.26243562      1.39620774
  H     -2.14250738      2.14003128      2.70871653
  H      1.39194255      1.35020334      0.31402818
  O     -1.40750548     -0.95494868     -2.18022656
  H     -0.80049846      0.33165106      5.02399254
  H      1.49817476      0.57684393      1.68409713
  O     -3.74270515     -0.28644823     -0.93273273
  H     -1.25783469     -0.77063962      4.02271208
  H      1.88875776     -2.52796784      4.51776496
  O     -4.92268223      1.90090429      1.91918539
  H     -0.67575387     -2.82986406      0.77857346
  H      0.45542552     -2.07968203      4.87927628
  O     -3.04100087      2.42476685     -0.27346960
  H     -0.74478899     -3.87231391      1.91789563
  H      0.64453688     -4.13280693      3.69699260
  O     -0.81950130      1.85505073     -2.01052938
  H     -1.62220979     -1.37847756     -3.00810229
  H      0.49179668     -5.63781940      3.37198098
  O      0.50147185     -1.88872186     -0.30435900
  H     -2.25132078     -0.81498268     -1.71609899
  H      1.76274410     -3.91539861      1.80830031
  O     -1.51609231      0.99448499      1.47131721
  H     -3.69661892      0.67420925     -0.85720237
  H      1.79940841     -2.86845236      0.67482750
  O     -5.00300525     -0.80383347      1.62186109
  H     -4.16673225     -0.59630502     -0.12408629
  H     -1.00314167      2.45607382      6.45830998
  O     -2.46216280     -1.25532385      2.73912446
  H     -4.54104879      2.18027816      1.07962082
  H     -0.31470846      2.51698287      5.07069903
  O      1.13691822      0.54955474      0.78697700
  H     -4.28158133      2.18655029      2.58452516
  H      1.46793639      2.19259722      3.85424699
  O      1.03372182     -2.85171336      4.82754016
  H     -2.49686597      1.84722437      0.29289034
  H      0.81373727      3.45369623      3.23200535
  O      0.51415241     -4.77225147      2.97392438
  H     -2.90131494      3.31813298      0.06462560
  H      3.07487590     -2.38168074      2.65378948
  O      2.34057251     -3.28677275      1.35639844
  H     -0.92344613      0.90365553     -2.13547352
  H      4.30548100     -2.14903818      3.56313712
  O     -1.07657000      2.14916614      5.55912977
  H     -1.62974442      2.15549056     -1.58264977
  H      1.03151439      0.07475999      3.80504815
  O      0.98286234      2.99935088      4.06986322
  H      0.77696503     -1.04195855      0.07871242
  H      2.49725693     -0.31689429      3.47239057
  O      3.38752565     -1.91820570      3.45192612
  H     -0.10442648     -1.66454913     -1.02056004
  H     -0.50617524      4.41673817      1.42378633
  O      1.85889759      0.40587625      3.42515390
  H     -0.59109499      0.87866452      1.22475601
  H      0.75155335      3.80128895      0.77913241
  O      0.40460851      4.16109423      1.60409699
  H     -1.83229412      0.16012312      1.84353287
  H      0.60690504      2.53870334     -1.27190144
  O      1.36605152      2.87002776     -0.75946605
  H     -5.07660087      0.15210780      1.78893044
  H      2.00300976      3.19845612     -1.38818867
          69
 Energy    -248.32147089406459     
  O     19.71464961     10.30146049     -9.40331033
  H     19.68502676      9.51214213     -9.96845842
  H     18.41125086     11.13101035    -10.40220013
  O     18.05455668      6.04646779     -9.56720317
  H     19.49830476      9.99914118     -8.51522944
  H     22.72346915      9.73861989    -10.08740594
  O     18.38770615      4.81974463    -12.14243622
  H     18.69543383      5.62632684     -8.97744621
  H     21.45024440     10.59436598    -10.06523642
  O     19.65986729      6.42822660    -14.14964843
  H     17.56142512      6.71852100     -9.07536532
  H     18.39231437      9.56114608    -13.52615581
  O     23.26215519      8.10446375     -9.24572854
  H     17.47642632      4.70273678    -12.43817989
  H     18.69078151      8.46245595    -12.47866911
  O     22.10473574      7.57489750    -13.97558992
  H     18.30869069      5.29683533    -11.30593501
  H     20.06362054      4.24890497    -11.33737410
  O     21.21375286      7.35013635     -7.63308930
  H     19.10138708      7.21247253    -14.04730053
  H     21.31760555      5.08728902    -10.99890752
  O     14.59624213      6.29995459     -7.77977138
  H     19.30065257      5.78433029    -13.52779115
  H     15.01296844      4.79408185    -13.32186707
  O     22.01167266      6.73621822    -11.33252461
  H     22.54720972      7.86722897     -8.62782018
  H     15.62552640      5.95699910    -12.50494632
  O     19.54340445      8.00247909    -10.93087087
  H     24.08132396      8.01530248     -8.76628990
  H     14.89184142     10.18443963    -10.20658447
  O     18.92246771      8.96305316     -7.01338979
  H     21.24822704      7.12664681    -14.10268666
  H     16.38956001     10.27911443    -10.57736816
  O     17.68709933     11.33128121    -11.01162634
  H     22.63786300      7.37216964    -14.73938069
  H     15.66532828      8.27834577    -11.61014199
  O     22.28981313     10.47708179    -10.52978216
  H     20.45644411      7.89030860     -7.37953390
  H     16.60686650      7.99788685    -12.78774374
  O     18.21991277      8.63813779    -13.30828682
  H     20.88107681      6.45282168     -7.75739509
  H     21.82691289     10.37789743    -12.27294944
  O     20.81732010      4.29985622    -10.73749657
  H     13.94631366      5.87669193     -7.22608236
  H     21.71065450      9.40233207    -13.47496392
  O     15.58620596      4.98532062    -12.58505879
  H     14.80180566      5.66623260     -8.48852417
  H     16.32773007      8.62901010     -8.93586690
  O     15.69200779      9.66961951    -10.27581182
  H     22.21792382      7.03946281    -12.22644331
  H     15.89811658      7.48320209     -7.96793711
  O     15.82562249      7.65795934    -12.32841501
  H     22.57303521      7.20486518    -10.70185511
  H     19.92032386     10.98877618    -13.41329934
  O     21.45943482     10.27788513    -13.16376241
  H     20.40566421      7.59845675    -11.09666013
  H     19.05184607     11.99110774    -14.20995094
  O     16.64793158      8.03095020     -8.24613483
  H     19.01871081      7.35045772    -10.45224383
  H     20.12774853      4.00076762     -7.64949149
  O     19.00894511     11.31253982    -13.54251256
  H     18.08383763      8.64077214     -7.38323460
  H     20.43145171      4.53175255     -9.07427498
  O     20.11060617      4.78652968     -8.18881591
  H     18.72099576      9.32545582     -6.15389094
  H     16.44795254      4.96660327     -9.66541071
  O     15.53750869      4.66318606     -9.76452164
  H     18.09037101     11.41463966    -11.88365047
  H     15.38510912      4.66720960    -10.71752297
          69
 Energy    -248.32126790086733     
  O     12.73347462     11.84118772    -14.33894081
  H     12.34853584     11.50783697    -13.51932419
  H     19.24099368      7.33514302    -13.90436519
  O     15.06517071      6.28685326    -14.17414139
  H     13.53661971     12.32330092    -14.10884294
  H     17.28011230     11.44294381    -15.83397300
  O     17.55256080      9.17002742    -11.10454773
  H     14.55235261      6.53626308    -13.39209543
  H     16.16179164     11.69189612    -16.85779933
  O     18.08211696      9.86044528    -15.24623126
  H     15.80064225      5.74277278    -13.86908507
  H     14.80751805      9.27843532    -15.22018287
  O     11.71378603      7.71915916    -16.05763602
  H     17.15490956      9.11657574    -10.22474344
  H     15.44240066      8.02445587    -14.54534184
  O     15.84238291      8.69187957     -8.97877678
  H     16.97554352      9.75860810    -11.61445936
  H     11.45828725      9.69072618    -12.53207404
  O     13.85575293      7.13103048    -11.82328129
  H     17.18598369      9.53263037    -15.06190269
  H     10.61557936     10.76091025    -11.79736624
  O     15.72289672     10.65066580    -12.51571226
  H     18.61335384      9.68866727    -14.45981301
  H     16.84519141      7.35246477    -11.10857439
  O     15.92397811      7.82081029    -18.03206828
  H     10.96456345      7.43149343    -16.57165749
  H     16.77487261      5.87945787    -11.56632743
  O     18.61441376      7.79378019    -16.96791278
  H     12.47417917      7.17539144    -16.33712817
  H     12.26615956      7.58913155    -12.81244775
  O     13.92967480      6.38338207    -16.72022807
  H     15.83867031      7.75753091     -9.21002560
  H     11.61331693      7.91897930    -14.18295793
  O     18.99036398      6.54997641    -14.40650751
  H     15.05739307      9.06789901     -9.40170418
  H     20.35728811      9.23915074    -12.61026802
  O     16.62432383     12.09560246    -16.11314714
  H     13.77321186      8.02060473    -11.45255614
  H     18.87386643      9.02100875    -12.23890964
  O     15.54191107      8.97646555    -14.67050832
  H     14.67419894      6.78077667    -11.44325050
  H     17.55753807      4.00885613    -13.19476683
  O     11.49921424     10.56188576    -12.09549795
  H     15.64255794     11.53838702    -12.88281208
  H     17.94858197      5.45746002    -13.58135801
  O     16.40813779      6.50887596    -10.93286180
  H     15.59085290     10.03234401    -13.25068503
  H     14.46837500     10.41429241    -17.46295384
  O     11.57748162      8.11348801    -13.23878182
  H     16.82747597      7.72613304    -17.71012909
  H     14.76415204     10.96180948    -18.87868314
  O     19.51537452      8.96885595    -12.96824528
  H     15.76628478      8.76838179    -18.11420354
  H     14.48254016     10.11724745    -11.31721396
  O     17.29060797      4.91952053    -13.10498216
  H     18.48501640      8.60816178    -16.45266694
  H     12.96983380     10.07681675    -11.02618595
  O     15.18333879     10.62779024    -18.08918127
  H     19.31734835      7.96970749    -17.58946322
  H     15.77346199     12.74800482    -14.73858855
  O     13.81796727      9.72243919    -10.73309266
  H     14.33531963      6.19614501    -15.86311200
  H     15.51816701     13.94888861    -13.79709642
  O     15.31532053     13.02625539    -13.92497258
  H     14.60461437      6.83500038    -17.24700976
  H     12.73563975      9.24773600    -16.18220477
  O     13.38369619      9.96176462    -16.17675224
  H     18.86818772      6.83785688    -15.31888099
  H     13.08199981     10.64688941    -15.56002830
          69
 Energy    -248.32098807742841     
  O     14.18901395      3.24904720    -16.02334183
  H     14.95173183      2.81091561    -16.41578324
  H     18.21277875      6.05935835    -16.27615324
  O     17.57540957      6.25292905    -11.62451496
  H     14.15172847      4.11979227    -16.44568626
  H     15.93294819      5.76494776    -15.93675293
  O     17.77381513      4.47702192    -18.67651767
  H     17.08579519      6.83595175    -12.22531168
  H     16.56917460      6.41325577    -14.67183901
  O     13.28001948      6.57677272    -10.58772734
  H     18.49783740      6.27835078    -11.90615316
  H     13.01542121      7.46563707    -14.87097462
  O     14.09371120      4.07285401    -13.41135666
  H     17.05230042      5.03269094    -18.99419545
  H     11.98504195      8.10639428    -15.81573119
  O     16.18516967      7.71873116    -13.45458299
  H     17.36830595      3.73336930    -18.21373044
  H     14.27326332      3.45128324    -10.07034042
  O     17.59181131      3.25154098    -14.64189881
  H     12.95397833      5.66781890    -10.62250342
  H     15.40362575      4.31983595     -9.48920429
  O     12.66814075      3.81678279    -11.06755941
  H     14.13512450      6.53066044    -10.14293818
  H     13.86839164      6.53298037    -16.67909694
  O     19.53270061      8.14177712    -14.92647112
  H     14.97191910      3.92589442    -13.03611867
  H     14.79178225      6.07685567    -17.86439340
  O     16.72771177      2.30708360    -17.06295335
  H     14.08655197      3.70512452    -14.30683744
  H     21.00517575      6.35418260    -12.33725054
  O     20.09063809      4.51808373    -14.75447023
  H     15.23207777      7.55450043    -13.42447282
  H     20.17028330      5.64105869    -13.42548529
  O     18.98575657      6.12548920    -16.86254735
  H     16.37182333      8.44906865    -14.05699485
  H     16.16179539      3.40083856    -11.29197962
  O     16.71035136      5.75459846    -15.36159876
  H     17.25724477      4.12262441    -14.91309492
  H     16.96835543      4.52749471    -11.98493678
  O     12.85745336      7.72145431    -15.79444305
  H     17.30160631      3.14446028    -13.72683930
  H     16.27094243      6.64503804     -8.67620070
  O     15.18827326      3.41902097     -9.76317032
  H     11.87370121      3.29655249    -11.15502981
  H     16.54207125      6.24990778    -10.14352278
  O     14.45975299      5.83366873    -16.99174648
  H     13.08280600      3.84275842    -11.94680639
  H     16.30898172      7.21370739    -18.88080728
  O     20.14634603      6.34491620    -12.75243019
  H     19.56675930      7.50506000    -15.65180644
  H     15.60978045      6.84443708    -20.21144234
  O     16.56854778      3.65995480    -12.13082345
  H     19.75525894      7.64665337    -14.12958151
  H     13.75291639      5.87214870    -13.44714202
  O     15.89079308      6.19284343     -9.42563317
  H     16.96462465      1.39973038    -17.24100344
  H     13.39929596      6.90098212    -12.35082634
  O     15.80007033      6.51866044    -19.33594631
  H     17.09404304      2.52222230    -16.18820289
  H     18.09914531      9.12383172    -15.13575136
  O     13.58746778      6.81413953    -13.29641176
  H     19.33733666      3.91826349    -14.66653645
  H     17.37206754     10.48521773    -15.26264923
  O     17.23450533      9.54212724    -15.30420146
  H     19.94244270      4.98780354    -15.58369457
  H     18.03406178      7.62290700    -17.65852443
  O     17.33048919      8.23968726    -17.89648127
  H     18.77998121      5.53203652    -17.60018428
  H     17.14281819      8.73836749    -17.09348235
          69
 Energy    -248.32091836752193     
  O     14.69776214     13.64109269    -10.53517259
  H     15.20403341     13.52623063     -9.72097020
  H     14.55660756     15.18580702    -15.50312721
  O     15.28405837     12.60213944    -17.46337627
  H     14.07366365     12.90831341    -10.61064190
  H     12.48466989     15.93287288    -14.17344683
  O     15.33494991      9.60475865    -10.88565929
  H     15.12077324     12.40254450    -18.38198856
  H     13.80034022     15.59348910    -13.43378112
  O     17.77868759     15.84712365    -12.26747333
  H     14.82822849     11.91928038    -16.94378601
  H     20.18462005     11.15175902    -10.55623679
  O     14.12952684     10.77278049    -15.77096431
  H     16.04428273      9.79617233    -11.51647110
  H     19.01562630     12.16317852    -10.62713588
  O     14.29716454      7.17162168    -11.78240383
  H     15.01694896      8.71550649    -11.08404900
  H     17.02848127     12.30135465    -16.64882519
  O     14.99297690      7.36187444    -14.39457652
  H     18.32642794     16.62149193    -12.37314097
  H     17.60422217     11.17410936    -15.78886933
  O     16.07406137     12.73912325    -12.82362784
  H     17.80314771     15.37220848    -13.11659846
  H     12.31373262      8.73847050    -14.25876670
  O     13.17277300     11.35084444    -11.27514824
  H     13.54244948     10.01013873    -15.70533097
  H     11.73297808      8.17198364    -15.57601657
  O     16.64572917      9.55947021    -15.12884224
  H     13.84488255     11.39791610    -15.08698970
  H     16.37326964     10.25497096     -9.48072637
  O     13.53566951     12.55285943    -13.79257500
  H     14.61387901      7.17792307    -12.70395639
  H     17.83696725     10.74526702     -9.44097358
  O     15.35481175     15.08284527    -16.03490158
  H     14.33073203      6.26726036    -11.48360954
  H     17.77655039     13.79492146     -9.67134461
  O     13.21143211     15.31611269    -14.15920484
  H     15.67350810      7.97834003    -14.69387430
  H     18.21416050     14.51467154    -10.97561325
  O     19.24242028     11.21728723    -10.68525087
  H     14.16791835      7.66038910    -14.79674261
  H     16.92569011     11.23961167    -12.70402345
  O     17.75998871     12.08675208    -16.05643036
  H     15.78192613     13.16046498    -12.00511163
  H     18.13142342     10.54960376    -12.02423538
  O     12.51226521      8.56977490    -15.19757867
  H     16.55851908     13.37473849    -13.36614373
  H     14.72236987     15.21233073    -11.45848113
  O     17.02133843     10.70987290     -8.92598744
  H     13.21008818     11.71588237    -12.17154038
  H     15.84264199     16.01516010    -12.14899671
  O     18.43632246     13.79376779    -10.37544146
  H     13.94242616     10.77296093    -11.15442005
  H     12.30597899      9.74501272    -12.03410202
  O     17.36825740     10.38204310    -12.58962451
  H     15.81088803     10.02046476    -15.29166176
  H     12.77991253      8.28313161    -12.15932950
  O     14.88585017     15.90869635    -12.11139159
  H     16.93381881      9.78013101    -14.22981052
  H     16.39619523     13.45775715     -7.45144844
  O     12.16013254      8.92809644    -12.52418656
  H     14.46518376     12.59588069    -13.51480566
  H     16.61627156     12.33364326     -8.49528783
  O     16.42636322     13.28385796     -8.38788539
  H     13.26189018     13.46481689    -13.94811899
  H     16.79651635     14.75876507    -15.06177930
  O     17.51898954     14.37705951    -14.53802761
  H     15.23218655     14.29324713    -16.57740921
  H     17.80990996     13.58798605    -15.01725268
          69
 Energy    -248.32086881049676     
  O     13.62651421     12.96393367    -13.00682966
  H     13.82395692     13.53545499    -13.75992817
  H     17.54083956     11.16590041    -15.91880508
  O     17.56781100      7.01333890    -14.66051947
  H     13.13201241     12.22434202    -13.38447229
  H     14.46174487      8.88442096    -17.81146211
  O     19.57339498     11.29467746    -13.06634827
  H     17.16524424      7.30233286    -15.48482197
  H     13.70340166      9.12498624    -19.13539588
  O     17.14930356     14.29734338    -14.66745313
  H     16.97354647      6.34202481    -14.30080783
  H     17.11327416      9.82356049    -12.96720785
  O     15.58285254      5.28936254    -13.53974797
  H     19.31585625     11.71740632    -12.23924173
  H     16.41746231     11.22911285    -12.85111615
  O     16.65827847     10.49404529     -9.70274082
  H     19.37892377     10.35340198    -12.95623068
  H     12.12688729     10.05800454    -14.95899820
  O     15.16368910      6.89434556    -11.41239375
  H     16.29911793     14.27862461    -15.12391797
  H     13.21737444     11.10755981    -15.16027610
  O     11.88937770      8.61475607    -16.07665919
  H     17.73903555     13.67219216    -15.10711917
  H     18.26994651      8.36711019    -11.85630173
  O     17.46761062      7.98831425    -10.20443275
  H     15.51647798      4.36436738    -13.32089525
  H     18.27510245      8.08421497    -13.39928682
  O     15.76849845      8.19433119    -16.74350400
  H     15.44336383      5.78904016    -12.71403286
  H     14.83714428      9.54630111    -12.82520763
  O     14.00890955      7.25352464    -14.77407170
  H     15.77659008     10.81425390     -9.93701101
  H     13.35268149      9.68586943    -13.23206207
  O     16.72340027     10.65682045    -15.87204086
  H     17.28544483     11.18556512     -9.94289399
  H     15.40431179     13.02934915    -12.46307792
  O     13.71973462      9.36714071    -18.21288502
  H     15.93509705      7.24194573    -10.94630591
  H     16.70299557     13.53780922    -13.15267020
  O     16.32824560     10.33551141    -13.20499792
  H     14.63263655      7.65622702    -11.67181573
  H     19.22429434     11.93595272    -14.64953132
  O     12.60413798     10.76290751    -14.49732852
  H     12.47983505      7.97282797    -15.65892487
  H     19.78875687     12.39929276    -16.01205752
  O     18.51979591      8.72742519    -12.71633356
  H     12.32665389      8.84942807    -16.90352784
  H     17.66122617     12.80529833    -11.26038758
  O     13.95283910      9.16932450    -12.67593932
  H     17.16637195      8.88745442     -9.97563890
  H     18.72091443     13.28177733    -10.23901307
  O     16.36660297     13.03166421    -12.39695538
  H     17.88735979      7.63265302     -9.42581956
  H     15.18310292     11.35900209    -16.38184244
  O     18.97536533     12.25954260    -15.53466759
  H     16.17342475      9.02833741    -16.46196293
  H     13.97560458     10.99981757    -17.27521990
  O     18.41397157     12.51392039    -10.71496828
  H     15.17275544      7.89794085    -16.03839723
  H     13.89382383     10.42730619    -11.15949960
  O     14.28472317     11.63646343    -16.62020354
  H     14.43693695      6.45122057    -14.45032339
  H     13.80244233     11.94997226    -11.16996067
  O     14.08209904     11.20819190    -10.62494188
  H     13.99103858      7.86683179    -14.02786436
  H     13.92450858     14.81009459    -16.03630763
  O     14.39972738     14.15063586    -15.53600554
  H     16.54765679     10.51546365    -14.92877416
  H     14.30430933     13.31210397    -16.01753866
          69
 Energy    -248.32086372113540     
  O     13.01155272      9.87954630    -10.19351378
  H     13.90435666     10.27410511    -10.21735950
  H     12.99386875      6.37484122    -15.16299935
  O     15.43837892      4.95612904    -12.35931541
  H     12.46617746     10.45556043     -9.66610174
  H     14.44380449      7.79085928    -16.26352147
  O     16.26431443     11.21210262    -13.04940780
  H     16.26204858      5.00676074    -11.85940927
  H     15.86214568      8.37841257    -16.12774696
  O     18.74056354      9.77676817    -13.75925670
  H     15.65759551      4.90043220    -13.30393016
  H     15.48293275      6.81257803    -12.55314711
  O     10.60682534      8.28916175    -15.66324230
  H     17.05893633     10.81504504    -13.41972011
  H     14.85775837      8.23499691    -12.67618556
  O     16.31977936      6.96970101     -8.80053806
  H     15.57891350     11.15405383    -13.72680429
  H     13.29100190      6.55058931    -10.26451324
  O     12.00505466      6.79787080    -13.69934027
  H     18.65412662      9.27500544    -12.93118839
  H     13.38407545      8.03170217     -9.81056108
  O     14.09566007     10.68962424    -14.85498019
  H     19.59275222     10.20453976    -13.73455909
  H     18.03174351      6.47768716    -11.16206631
  O     12.95793887      9.37663489    -18.22596691
  H     10.81244699      7.78548347    -16.46065515
  H     18.62206477      5.09716486    -10.80512558
  O     15.96268755      5.18175365    -15.02671484
  H     10.92257324      7.75092461    -14.92620278
  H     13.75556737      4.99616464    -11.83013315
  O     17.20039706      7.78327040    -15.03965735
  H     16.74523354      6.33873121     -9.38863478
  H     12.50795817      4.33647992    -11.19937545
  O     13.51575642      6.23633422    -15.96667350
  H     15.38240978      6.99506108     -9.05004039
  H     17.18554904      8.20563038    -11.87764578
  O     14.97194393      8.58218513    -16.44139450
  H     12.13475602      6.15704511    -12.99127198
  H     18.00197576      8.73941241    -10.66306131
  O     15.68663039      7.74310638    -12.70559136
  H     12.40260851      7.62557346    -13.38376083
  H     17.90896531      9.64545607     -8.20697881
  O     13.70458791      7.14095116     -9.62604008
  H     14.46189952      9.98103049    -15.40548661
  H     17.04641134      8.53044366     -8.85063380
  O     17.79942005      5.56905491    -10.91267172
  H     13.24667736     10.91672702    -15.25510473
  H     12.12261190      7.82749702    -18.19010990
  O     12.83422421      5.15679816    -11.56153870
  H     13.78938144      9.18530826    -17.76926826
  H     11.34219073      6.64214540    -18.80809038
  O     18.08472757      8.29884314    -11.51896633
  H     12.48608166      9.99142541    -17.65088749
  H     15.79283539     11.03075102    -11.31149850
  O     17.50029030      9.37652602     -9.02458227
  H     15.12372967      5.42622851    -15.44228732
  H     16.20086158     10.43582572     -9.92987134
  O     11.68255153      6.98275911    -17.98566550
  H     16.56036081      5.92182675    -15.18637285
  H     10.85931299     11.41623551    -16.17865703
  O     15.48207516     10.86058847    -10.40984788
  H     17.87385654      8.43571573    -14.81820794
  H     11.19441232      9.93361848    -15.89650803
  O     11.58276235     10.79769085    -16.12307685
  H     16.61078926      7.75989473    -14.26844265
  H     13.48554904      9.72877846    -13.44233449
  O     13.23703568      9.04291175    -12.80877029
  H     12.90488565      6.31141778    -16.70992684
  H     13.07105050      9.44145607    -11.94518216
          69
 Energy    -248.32081928219773     
  O     15.89317901      8.58100789    -15.80203642
  H     16.18054562      7.66782094    -15.63195006
  H     19.64694777      4.43426168    -16.31723409
  O     13.71374695      5.90878968    -17.85190767
  H     16.26023838      9.13057442    -15.09923487
  H     17.27015250      5.97987538    -14.56143993
  O     18.05047056      6.04205968    -12.92069867
  H     12.96058718      5.94760682    -18.43526020
  H     17.38122231      5.57635194    -16.06860446
  O     18.15000853      4.54988644    -17.41985616
  H     13.51058510      6.48767176    -17.09478557
  H     14.13266747      8.04953084    -15.78533050
  O     12.67535246      6.31090205    -10.44453426
  H     17.84642913      5.13909559    -12.64106192
  H     13.34401820      7.22942709    -14.76116437
  O     14.43883461      4.12103849    -13.29872478
  H     18.97886481      6.11220299    -13.17281910
  H     16.50883512      3.91079497     -8.69964088
  O     16.26220483      7.94163428    -12.15328063
  H     17.59935530      5.02030403    -18.06337810
  H     15.97186127      5.05430769     -9.59287117
  O     18.53607310      2.44954463    -14.28120321
  H     17.74727034      3.68542459    -17.26977035
  H     14.34932292      4.57037199    -16.72128593
  O     13.52436977      3.73511356    -10.66585291
  H     11.83285798      6.40352021    -10.00884192
  H     15.51007890      4.79354313    -15.73821034
  O     19.26277381      8.70561135    -15.28584680
  H     12.87535212      5.35781291    -10.47481005
  H     21.45895930      6.51188185    -13.72583398
  O     16.75679287      2.21446605    -16.55534002
  H     14.24370619      5.06457567    -13.19958618
  H     20.49761646      5.69075808    -14.62162715
  O     20.17574440      4.30524498    -15.51956569
  H     14.42956265      3.94684321    -14.24719748
  H     16.10050695      3.74056477    -12.63651251
  O     16.81066504      5.99623679    -15.41016112
  H     16.91984929      7.25931385    -12.36245887
  H     16.80752406      3.66430553    -11.26555432
  O     13.34404245      7.49711422    -15.68864714
  H     16.57517606      8.74360357    -12.58541610
  H     15.77551193      7.24744693    -10.47801130
  O     16.16434826      4.09971652     -9.56825792
  H     18.00900646      2.71718884    -13.51805933
  H     14.47332244      6.70371464     -9.86146420
  O     14.86643153      4.13022045    -16.03657022
  H     17.91105532      2.25667123    -14.99016127
  H     16.84839235      6.98017957    -18.61946616
  O     20.56773841      6.48760027    -14.06224224
  H     14.37243589      3.69738883    -10.20649552
  H     15.54268962      6.14134509    -18.56205189
  O     16.96253797      3.60484061    -12.21651966
  H     13.73773476      3.68121511    -11.60792990
  H     14.65410173      7.26517620    -12.73756247
  O     15.43166090      6.71727592     -9.74717399
  H     18.96173993      8.48101561    -16.17211196
  H     13.30920564      6.75577970    -12.15719611
  O     16.45459309      6.13642517    -18.87530784
  H     19.74613514      7.94390044    -14.94148095
  H     18.09833074      9.53407257    -14.28243531
  O     13.82584308      6.82201508    -12.97029285
  H     15.99702020      2.79763654    -16.39098217
  H     17.58386898     10.86426776    -13.67977290
  O     17.35066478      9.94995064    -13.81506291
  H     16.41894428      1.43259579    -16.98474102
  H     17.79280631      9.32354007    -18.35377252
  O     17.72016895      8.51988653    -17.84315054
  H     19.72264639      3.60838195    -15.02151606
  H     17.01035251      8.66506055    -17.19490758
          69
 Energy    -248.32076615664272     
  O     13.38553102      4.30955536    -16.14726557
  H     12.57532893      4.01596009    -16.55713926
  H     18.52277126      5.85887255    -17.75021560
  O     17.46929294      6.90690915    -11.85399651
  H     13.62845153      5.15021188    -16.57415851
  H     16.45489746      7.12023843    -14.84636895
  O     17.40283904      4.95722036    -18.82143189
  H     18.39077941      6.81210389    -12.12309204
  H     15.76076452      6.48496454    -16.08619663
  O     13.23287060      8.26966411    -10.65564500
  H     17.07117371      7.54993538    -12.45997570
  H     13.10715482      8.67444496    -15.07855756
  O     13.68436001      5.34360225    -13.53139756
  H     16.76379589      5.58555602    -19.17261304
  H     12.39344097      9.56757988    -16.10942932
  O     16.26485242      8.53269270    -13.70271644
  H     16.89869733      4.32374473    -18.28840742
  H     13.83153586      4.74329497    -10.06283880
  O     17.15038233      3.85963618    -14.58574405
  H     14.09218854      7.94703549    -10.32827727
  H     14.45306954      3.80406374     -8.99985200
  O     12.51341517      5.48850789    -10.96476275
  H     12.91673813      8.90340102    -10.01759868
  H     13.80536327      7.48147728    -16.84678273
  O     19.64000691      8.42597129    -15.17916689
  H     13.57115391      4.89630811    -14.37805825
  H     14.64064859      6.85497420    -18.02006753
  O     15.96109496      3.29989741    -17.07354004
  H     14.51575105      5.03780056    -13.14229650
  H     20.89736118      6.57544237    -12.51281652
  O     19.76546680      4.77547597    -14.86125596
  H     15.30061977      8.54845393    -13.64402093
  H     19.98942567      5.93602321    -13.58941812
  O     18.81265604      6.43163695    -17.02352604
  H     16.56536160      9.20810215    -14.32356298
  H     16.54697429      5.34045393    -12.05616798
  O     16.51795317      6.40686709    -15.49226074
  H     16.90681135      4.73341605    -14.93275403
  H     15.62382077      4.35979328    -11.28667519
  O     13.02150098      8.85469196    -16.02850591
  H     16.79345368      3.83996097    -13.68968416
  H     15.35377638      6.25382262     -9.59678134
  O     14.67137828      4.44875570     -9.66688605
  H     12.57536075      6.44000686    -10.81651700
  H     16.31641197      7.15612463    -10.39570984
  O     14.25286955      6.67939903    -17.15313461
  H     12.74628709      5.35427400    -11.89397526
  H     15.52876469      7.52371199    -20.38529272
  O     20.05202181      6.66467458    -12.94538454
  H     19.57593159      7.75988031    -15.87588232
  H     16.25795441      7.82799753    -19.05455232
  O     15.99882426      4.54799157    -12.15487594
  H     19.81297405      7.94019436    -14.36419505
  H     13.57241798      7.14074619    -13.51939699
  O     15.56189989      7.17593496     -9.79224224
  H     15.05581735      3.50450782    -16.81662047
  H     13.36147167      8.28499517    -12.49282079
  O     15.63755726      7.21542841    -19.48988010
  H     16.44796813      3.26329377    -16.23926957
  H     17.86345659     11.04158724    -15.58344142
  O     13.53303632      8.10531582    -13.42566468
  H     18.94360942      4.28422903    -14.71917202
  H     18.36768492      9.58861002    -15.40949237
  O     17.57641144     10.13201786    -15.58475775
  H     19.65871687      5.20643789    -15.71682245
  H     18.03781698      7.99886204    -17.85188300
  O     17.42982116      8.70504977    -18.10582253
  H     18.04990537      6.46656152    -16.42233112
  H     17.34551667      9.26605316    -17.32714201
          69
 Energy    -248.32024920921515     
  O     12.26949747      9.89522102    -15.58565020
  H     12.43593588      9.02574499    -15.97663050
  H     20.55908846      8.24179066    -14.14606170
  O     15.93412461      6.35727946    -12.46832130
  H     12.96242393     10.48127967    -15.91022373
  H     15.44588325     10.41951821    -17.58967735
  O     16.39351202     10.48709430    -11.66316907
  H     15.85639410      5.59575992    -13.06037105
  H     16.80773392      9.69918672    -17.51045051
  O     16.08432368     10.55072761    -14.40141953
  H     15.26773040      6.30013942    -11.77180527
  H     15.15583244      7.48009958    -13.68878773
  O     12.78110964      4.93570756    -14.93193491
  H     16.94101006      9.68841639    -11.72718609
  H     14.21901810      7.82205994    -14.91893098
  O     14.33342233      9.75614047     -8.37280468
  H     16.53620614     10.84449689    -10.77892447
  H     10.89530095      9.62377586    -12.78603653
  O     13.97505035      6.71280169    -10.54332974
  H     16.26021137     10.74839179    -13.47337203
  H     11.94549516      9.55825451    -13.91634977
  O     16.65691327      6.73778326    -16.20700365
  H     15.63958064      9.68528618    -14.40697572
  H     17.80059070      8.16982965     -9.94885227
  O     15.32611399      7.05669931     -8.10318825
  H     12.56741212      5.43612683    -14.12244855
  H     17.42551844      9.24361285     -8.91084344
  O     18.00886127      9.22829483    -16.01382954
  H     12.17640294      4.19931865    -14.96725648
  H     12.75204108      6.39899699    -11.93616452
  O     15.61533080      4.60207703    -14.54633954
  H     13.99471499      9.70902576     -9.27822274
  H     12.03684776      7.39450909    -12.87416799
  O     19.69473208      8.53169340    -13.86407163
  H     14.55208479      8.84749122     -8.13200913
  H     17.28152993      7.46551066    -12.06642908
  O     16.00215623      9.76957154    -18.03679033
  H     13.92804287      7.66062501    -10.74665409
  H     18.57447404      8.25421889    -12.47022344
  O     14.99355084      8.09753314    -14.41461995
  H     14.36771211      6.65636437     -9.66407329
  H     15.81859887     10.66589443     -8.63507847
  O     11.76543654      9.29413926    -12.99773272
  H     16.10460414      7.19861970    -15.55661117
  H     16.86009706     11.76390818     -8.31099239
  O     17.56281365      8.29524686     -9.01971669
  H     16.16939351      6.78025590    -17.03943126
  H     14.95648345      7.06138567    -19.33198724
  O     12.26685217      6.46366463    -12.76878160
  H     16.16743264      7.43255241     -8.42079234
  H     15.30373279      8.21332764    -18.35672129
  O     17.88808218      8.16983436    -11.79534318
  H     15.53373181      6.53150123     -7.33532617
  H     14.66894590      9.80825234    -11.43133862
  O     16.67378935     11.04435350     -8.90751044
  H     17.65957476      8.32787748    -16.08905670
  H     13.17622815      9.49703005    -11.81075720
  O     14.95753273      7.30355597    -18.41013829
  H     17.41580167      9.72699544    -15.43205194
  H     14.48214098     12.48603512    -16.43243291
  O     13.84224223      9.41944105    -11.11704288
  H     14.67360461      4.63663098    -14.75619358
  H     15.07268586     11.30095488    -15.63081049
  O     14.49454131     11.53354550    -16.37857668
  H     16.06689589      5.13223605    -15.21476088
  H     13.64310149      7.25246639    -17.09768509
  O     13.06436534      7.33203750    -16.32815656
  H     19.23324597      8.81339721    -14.66705853
  H     12.89239635      6.44413133    -15.98888802
          69
 Energy    -248.32017135930374     
  O      2.54800249     -5.22805258      4.22480312
  H      2.41510240     -4.38057534      3.78550860
  H      1.75577931     -7.85562957     -2.23967753
  O      4.13111502     -3.09812558     -2.02435862
  H      1.87428886     -5.81760179      3.85746212
  H      4.88019221     -6.54107367     -0.95361553
  O      0.63135695     -8.20839830     -0.95707917
  H      3.50108179     -3.72124918     -2.41218491
  H      3.71400514     -7.40429456     -1.54118754
  O     -0.68158702     -2.58866105      1.96055623
  H      3.99313646     -2.25878286     -2.48011277
  H      1.27953315     -3.11466225     -3.57721592
  O      1.98357651     -3.21311213      2.21111546
  H      0.85850473     -8.62324705     -0.11633522
  H      0.44586886     -2.13490174     -2.71251716
  O      5.91752595     -5.09622288     -1.08463033
  H     -0.16515438     -7.68627308     -0.80507261
  H      4.63598729     -2.80567124      1.11181778
  O      4.88581918     -6.51403426      3.64162129
  H      0.26586254     -2.74782227      2.11142923
  H      4.04365039     -2.50644812     -0.27247193
  O     -0.01628658     -1.98237433     -0.75777296
  H     -0.96889405     -1.98301714      2.64018403
  H      1.82476718     -5.20442308      0.05238547
  O      3.96960272     -8.48307352      1.72684172
  H      2.07324396     -4.05843590      1.74987614
  H      3.05292508     -6.15370926      0.19708231
  O      1.40398731     -9.31368357      1.57997145
  H      2.63986815     -2.64781862      1.78334700
  H      0.29627833     -3.71148667     -0.88024928
  O      2.17259063     -4.78867145     -3.12548518
  H      5.90711916     -4.88992044     -0.14047778
  H     -0.26492574     -5.18549600     -0.90934888
  O      2.44187596     -7.62594596     -2.89297464
  H      5.44782400     -4.36816855     -1.51250219
  H      2.37124971     -1.16943785     -3.42426108
  O      4.20073312     -7.19719409     -0.73521382
  H      5.38326345     -6.71098619      4.43118057
  H      3.38770818     -0.12251550     -3.94209278
  O      0.94951229     -2.20785832     -3.53220502
  H      4.07282537     -6.06141478      3.92786231
  H     -1.63985178     -6.08096777      0.34469250
  O      4.06167662     -2.18748012      0.64294974
  H      0.74225590     -1.38521794     -0.65470230
  H     -2.46944208     -6.49252182     -0.89840727
  O      2.51088705     -5.50544907      0.66712797
  H     -0.42633901     -2.05207963      0.11208736
  H     -1.27679979     -4.41979287      1.95959209
  O      0.53120808     -4.64533751     -0.97509630
  H      4.19963510     -8.13144839      0.85505945
  H     -0.70879766     -5.83178320      2.27136490
  O      3.19486778     -0.69705036     -3.20650039
  H      4.32334118     -7.86736254      2.37860267
  H      1.46694284     -6.37345821      1.90990863
  O     -1.57879914     -6.42261518     -0.56616243
  H      2.34792882     -9.08050308      1.65560418
  H      0.89310480     -7.70191597      2.40984094
  O     -1.46955471     -5.36261778      1.90022710
  H      1.32203468    -10.22298431      1.85376257
  H      4.24484858     -4.82898105      1.24256452
  O      0.87052140     -6.75153825      2.57290850
  H      1.54635784     -4.75189010     -2.38471249
  H      5.25417274     -5.20121694      2.32896983
  O      5.11891506     -4.59991299      1.58748350
  H      2.34928037     -5.72713836     -3.25104244
  H      2.90562535     -0.83254154     -0.00846933
  O      2.22169500     -0.39508538     -0.53133115
  H      2.44885759     -8.32524130     -3.54136648
  H      2.59017297     -0.31204264     -1.42002510
          69
 Energy    -248.32014461122031     
  O     20.04127540      8.37427849    -15.00628150
  H     19.90198412      7.42030271    -15.03478867
  H     18.60774970      2.75249073    -14.06729122
  O     20.67429349      4.80855788    -12.60952296
  H     20.11772777      8.61779345    -14.07094559
  H     15.81656586      9.22328624    -13.84363117
  O     16.47390005      8.34611477     -9.83458930
  H     20.15949881      4.01418928    -12.42336812
  H     17.12623687      9.47925602    -14.66685316
  O     13.54964395     11.02571071    -12.11412181
  H     20.33502854      5.14327876    -13.44725296
  H     17.25906179      7.64120480    -13.24341942
  O     17.96295920      9.44703075    -16.30103344
  H     16.94228417      9.01838842    -10.35105998
  H     16.59014360      6.26727968    -12.90234236
  O     12.50395200      9.48577366     -9.92350111
  H     17.05463488      7.57553051     -9.80415899
  H     14.09392460      8.33449671    -12.83165438
  O     16.86452865      3.88180946    -11.12447725
  H     13.65471739     10.38253754    -12.82543426
  H     14.06777260      7.99214272    -14.34031894
  O     14.15960967      7.58243604    -11.17138524
  H     13.05061356     10.57024906    -11.42382862
  H     19.13109953      6.37277587    -10.24342725
  O     18.90667463      2.55125778    -12.26997332
  H     18.78383239      9.12048864    -15.88406425
  H     17.99044434      6.45071375    -11.27493623
  O     14.99617453      5.39784362    -12.66995648
  H     18.21658497     10.11865021    -16.92687569
  H     14.92451260     11.80140212    -11.31496871
  O     19.09067803      5.69559031    -14.87109204
  H     11.73989149      9.52939422     -9.35574802
  H     15.59487408     13.10283035    -10.81849970
  O     18.48742005      3.02680239    -14.98951454
  H     13.26536754      9.79443722     -9.39857067
  H     20.90817573      6.02072983    -11.37008371
  O     16.77361113      9.34079303    -13.77943711
  H     17.28763308      4.63169142    -10.68311515
  H     21.77320443      6.66774824    -10.26221402
  O     17.43384025      6.73503306    -12.95865874
  H     16.13437664      4.24670013    -11.63936698
  H     20.38262457      8.28091463    -11.68186968
  O     14.08400484      8.72883805    -13.71756071
  H     14.98326254      7.81908466    -10.71912739
  H     19.41138326      9.47494560    -11.85732217
  O     18.18110837      6.24221292    -10.34536183
  H     13.45882890      8.08211244    -10.73556077
  H     13.85524062      5.99946393    -15.95286488
  O     15.65278263     12.15210282    -10.77206449
  H     18.14252388      2.99162883    -11.85540142
  H     15.28361147      6.52361268    -15.68626470
  O     20.91643800      6.70668614    -10.67826543
  H     19.10242398      1.78521884    -11.73745826
  H     17.16041651      7.73835948    -16.49507144
  O     20.10595301      8.97018428    -12.29614250
  H     14.58036049      6.05110374    -12.08758026
  H     17.61833830      6.35785562    -16.00854613
  O     14.41155241      6.37939353    -15.27770765
  H     14.70171215      5.58921376    -13.56931858
  H     15.41222460      9.58042487     -8.91016135
  O     16.86082628      6.82847114    -16.37386726
  H     18.51911209      6.01938199    -14.15427302
  H     15.12222347     11.04548391     -9.27332476
  O     14.79994214     10.30976108     -8.73774637
  H     18.88784834      4.75904912    -15.01279103
  H     17.14161518     11.03969791    -11.14786992
  O     17.69947299     10.29198486    -11.39410524
  H     18.55162449      2.23358847    -15.51539973
  H     17.40120774     10.01838542    -12.27650755
          69
 Energy    -248.31968658588929     
  O     -1.15617551      3.23392441      1.97583377
  H     -0.56863195      2.52390353      2.26826724
  H      0.78101602      1.13481277     -0.62786127
  O     -3.04751498      5.97960399     -0.69386261
  H     -1.79855981      2.84878002      1.36788343
  H     -0.00477443      4.74425077     -2.59913269
  O      4.10764637      7.00913706      1.40763182
  H     -2.16606173      6.09513262     -1.07573289
  H      0.14413778      3.19993455     -2.46612897
  O      1.48511945      7.01534347      2.36800465
  H     -3.02578896      6.42365934      0.16124134
  H      0.37901979      8.71134303     -0.56855025
  O     -0.43475938      6.12776196     -1.59640618
  H      3.81330628      7.03134563      0.47887766
  H      0.65400518      9.48104421     -1.88495121
  O      2.76275793      3.52233185     -0.31099546
  H      4.84687652      7.60730591      1.47488673
  H      1.69832886      2.69819119      3.45678039
  O      0.59615999      4.97277206      0.65790527
  H      1.36950468      6.64248748      3.25117473
  H      2.85985322      3.70686285      3.25870865
  O     -2.73064623      7.32285475      1.78702043
  H      2.42872831      7.04735629      2.16415125
  H     -3.70511918      4.58038060     -1.38129362
  O     -0.68085851      1.62336976     -1.69564207
  H     -0.06983645      5.74532484     -0.78149422
  H     -4.90095141      3.88958511     -2.08064847
  O     -1.64834486      5.51946298      3.48969062
  H     -0.06005100      7.01169224     -1.68508280
  H     -2.80746582      3.11117605     -3.19522711
  O     -0.30551171      8.62470676      1.00150775
  H      2.97759534      3.88801017     -1.17544959
  H     -1.42319346      3.29053947     -3.84712486
  O      1.47477544      1.08682913      0.04183301
  H      2.01464859      4.03879088      0.02761916
  H      0.76341851      0.41927922      3.04283205
  O      0.34131337      3.95179996     -3.03985676
  H     -0.01647520      4.38859504      1.12266621
  H      1.02424169      1.14679873      1.70240648
  O      0.77724706      8.63897827     -1.45636307
  H      0.88833255      5.65431922      1.27722527
  H      3.46405994      4.58021275     -3.61108054
  O      2.10963269      3.48358144      3.83060300
  H     -3.41251838      7.79663863      2.25647257
  H      2.04394993      4.48117291     -3.01006518
  O     -4.01417010      3.73808549     -1.76480536
  H     -2.35004046      6.68786357      2.41991575
  H      1.33528925      4.85570353      4.46375706
  O     -2.17505849      2.68838591     -3.78947884
  H     -1.18458027      1.72512647     -2.51558656
  H      1.13596335      5.80582505      5.67019141
  O      0.71697065      1.27168662      2.61886056
  H     -1.33335807      1.72818952     -0.99266336
  H      4.21713223      5.15827374      1.90484627
  O      2.94849155      4.79264810     -2.83712381
  H     -0.84102930      5.62098987      4.00678835
  H      3.77081377      3.86706119      1.21275697
  O      0.91165067      5.68649304      4.75196460
  H     -1.56409540      4.67019856      3.03433249
  H     -3.32086372      2.62941290     -0.53618837
  O      4.09346257      4.21416676      2.05567054
  H      0.33367712      8.15093329      1.55349517
  H     -3.45601799      1.31383791      0.26336223
  O     -2.86691197      2.04539555      0.09268746
  H     -1.16827121      8.25567236      1.22216671
  H      3.09474602      6.36787421     -1.74891928
  O      3.15775918      7.10314075     -1.12859994
  H      2.04374556      1.85394361     -0.11447019
  H      2.38721029      7.66371998     -1.28201880
          69
 Ord_Energy   -248.319412    
 O   -4.29272413      -9.03046227       9.09569263    
 H   -4.29097128      -9.82526684       8.54221344    
 H   -4.41012621      -8.28654671       8.49286270    
 O   -6.05965805      -8.68680859       11.0826969    
 H   -5.66310453      -8.87106705       11.9293213    
 H   -5.36435986      -8.81577492       10.4105587    
 O   -3.58774900      -7.71496868       5.01509619    
 H   -4.11716604      -7.42811632       5.77715206    
 H   -2.86135006      -7.10045910       4.95215321    
 O   -4.40640593      -11.1679916       7.30670071    
 H   -4.25304365      -10.8998423       6.39394236    
 H   -5.11323595      -11.8237467       7.26336956    
 O   -9.74786949      -10.9660749       4.69858313    
 H   -8.78468513      -10.8834887       4.67106342    
 H   -10.1116409      -10.0725288       4.78586721    
 O   -7.01491642      -5.16848993       8.02842999    
 H   -7.00680923      -4.22905302       8.18979263    
 H   -7.24226379      -5.59703112       8.87425423    
 O   -9.91006088      -8.08268070       9.22612190    
 H   -10.7265825      -8.46964931       8.88687992    
 H   -9.28769302      -8.81558609       9.34549809    
 O   -6.98558187      -10.8507710       4.93613768    
 H   -6.09577608      -10.6379900       4.62858582    
 H   -6.88904572      -11.5801630       5.56819296    
 O   -6.69028664      -12.8332872       6.83442831    
 H   -6.91031170      -13.6570492       6.38142490    
 H   -7.38003588      -12.6937466       7.49813175    
 O   -4.26806879      -10.3033524       4.50959015    
 H   -3.63985753      -10.6828136       3.90026259    
 H   -4.00715208      -9.37522221       4.63590860    
 O   -7.88390541      -9.99399471       9.41912651    
 H   -7.55763149      -9.68557549       8.55896473    
 H   -7.27171135      -9.66193104       10.0865421    
 O   -11.0042257      -11.7130260       7.05259562    
 H   -10.5401239      -11.4611864       6.23950338    
 H   -11.3962593      -12.5821972       6.90063381    
 O   -9.88137722      -13.7807159       4.40264034    
 H   -9.87455654      -12.8164539       4.33902311    
 H   -10.6243620      -14.0064459       4.97526455    
 O   -11.7357140      -14.3581076       6.53584003    
 H   -10.9848166      -14.7074366       7.04987288    
 H   -12.4537077      -14.9761658       6.63766098    
 O   -7.22046661      -8.95637035       6.95078230    
 H   -7.89524746      -8.28875732       6.76883602    
 H   -7.17593908      -9.56867886       6.20660925    
 O   -8.79645348      -12.4518805       8.62392998    
 H   -9.57200336      -12.1729088       8.11792278    
 H   -8.46588516      -11.6567144       9.06451797    
 O   -7.76691151      -15.0659218       5.53413439    
 H   -8.48268795      -14.6121931       5.05335045    
 H   -7.45017147      -15.7622766       4.96559763    
 O   -5.17015648      -7.13371754       7.18252468    
 H   -5.66379595      -6.34977198       7.44853210    
 H   -5.82704544      -7.84405518       7.10419989    
 O   -10.7887344      -8.50647068       5.41210985    
 H   -10.1965370      -7.80770683       5.71854258    
 H   -11.3577776      -8.69586658       6.16702652    
 O   -9.03057003      -6.84414196       6.86797333    
 H   -8.40115356      -6.15396357       7.10658073    
 H   -9.39377117      -7.18302774       7.70084476    
 O   -7.74289513      -6.52208710       10.2560492    
 H   -8.58082676      -6.96509981       10.0718184    
 H   -7.14792156      -7.19829798       10.6041565    
 O   -12.0626078      -9.33946800       7.90298557    
 H   -12.9983244      -9.42422771       8.06800079    
 H   -11.7373276      -10.2253647       7.66765833    
 O   -9.47282410      -15.0851555       7.84631634    
 H   -8.82700348      -15.2297468       7.14329672    
 H   -9.18737793      -14.2836704       8.30618572    
          69
 Ord_Energy   -248.319305    
 O   -7.15596247       4.23203182     -0.328677803    
 H   -7.67966366       3.85322666      -1.03122699    
 H   -6.38144302       4.64198351     -0.749459803    
 O  -0.412650287       6.36364269       6.02473319E-02
 H  -0.639963686       6.72170734     -0.805719614    
 H   -1.02861428       6.76958179      0.686927497    
 O   -5.98796463       2.39119577       1.64389002    
 H   -6.41240168       2.96631145      0.996931314    
 H   -5.04864597       2.37721491       1.42105365    
 O  -0.960409284       3.62235188     -0.235910684    
 H  -0.772269309       4.56419849     -0.111249179    
 H  -0.335991859       3.15104342      0.327747732    
 O   -6.06624079       3.43602538       4.22937441    
 H   -5.23408842       3.21683741       4.66107464    
 H   -6.08112431       2.96692801       3.38132048    
 O   -3.20383334       2.94284153       1.31513822    
 H   -2.50753212       3.08999062      0.662344217    
 H   -3.60368276       3.81108236       1.48473740    
 O   -6.31702280       5.99049854       3.40305424    
 H   -5.95283794       6.59813499       4.05599737    
 H   -6.31812477       5.09667444       3.78210855    
 O   -4.26898623       5.43795109       1.60075402    
 H   -4.60241175       5.45511103      0.693937600    
 H   -5.00242805       5.60421944       2.20762515    
 O   -3.49799848       3.05138493       5.51666880    
 H   -3.34296584       2.40532732       6.20207834    
 H   -2.78698301       2.94218731       4.86599159    
 O   -2.60838675       4.56808186      -2.33109355    
 H   -2.19709182       5.42623758      -2.49024534    
 H   -2.00953722       4.08921003      -1.74345386    
 O   0.635285795       2.57289910       1.88124633    
 H   -7.71216229E-02   2.64105439       2.53740358    
 H    1.11984909       1.77630794       2.08326507    
 O   -4.13868618       9.13641357       2.79321671    
 H   -4.47805929       8.75202751       3.61230826    
 H   -4.87036991       9.15623093       2.16534019    
 O   -4.97984648       7.75933027       5.13488913    
 H   -4.28276539       7.11152029       5.34480429    
 H   -5.26452446       8.13384438       5.96432018    
 O   -4.87738132       5.50874329      -1.13855803    
 H   -4.63895607       6.44247341      -1.10827363    
 H   -4.14866734       5.05442858      -1.58834350    
 O   -1.65475965       7.31272125      -2.32188749    
 H   -2.42750931       7.68656254      -1.86854613    
 H   -1.42723024       7.92027378      -3.02177978    
 O    1.25075769       5.38752937       2.18184686    
 H    1.23701727       4.43282890       2.04403257    
 H   0.893407106       5.77687359       1.37294924    
 O   -3.77419138       8.08866119     -0.686541915    
 H   -3.25310183       7.90758467      0.106365412    
 H   -4.57506990       8.52871704     -0.370137662    
 O   -2.39780211       7.35974216       1.74987149    
 H   -3.02391577       6.61578321       1.72690713    
 H   -2.86178970       8.09657764       2.17656851    
 O   -7.46093464       6.75696802       1.03766310    
 H   -7.52784348       5.92738485      0.553574920    
 H   -7.20275688       6.51032305       1.93923998    
 O   -1.56843376       3.09345293       3.51485324    
 H   -1.39942849       4.04505825       3.58531356    
 H   -2.18451476       2.95954800       2.77723837    
 O   -3.08615828       5.89295483       5.60847282    
 H   -2.27125311       5.92967319       5.09161282    
 H   -3.30953336       4.95803404       5.68538094    
 O   -6.05988646       9.02397823      0.600030661    
 H   -6.59314585       8.21868610      0.728205502    
 H   -6.67460585       9.73558140      0.441290647    
 O   -1.00262785       5.83377552       3.70398164    
 H   -1.47259700       6.44109249       3.11997724    
 H  -0.113948219       5.74102688       3.33000731    
          69
 Energy    -248.31928476468283     
  O     17.17604318      9.90901926    -16.60492119
  H     16.34083867     10.38496370    -16.51524211
  H     20.21627087      8.40054316    -14.40559776
  O     14.32782979      4.77704036    -13.95470878
  H     17.88746018     10.47767934    -16.28248510
  H     16.76246466      7.03352665    -15.12431358
  O     19.24061300      7.52716085    -13.08078782
  H     13.79930232      5.58556356    -14.08899306
  H     17.09252403      8.54248376    -15.36638444
  O     15.32940768      6.69952948    -18.23527471
  H     13.71188511      4.05312178    -13.88427553
  H     14.71482994     11.20052396    -15.19081467
  O     14.96838206      8.56812686    -12.96964681
  H     18.45426758      7.64959266    -13.63737850
  H     14.17995073     11.78264474    -16.51871372
  O     17.77937904     11.28523081    -13.07662935
  H     19.31715339      6.57869961    -12.92661994
  H     16.88712058      8.19401434    -10.83835732
  O     19.02154147      4.73969970    -12.80250349
  H     15.05346717      6.37192115    -19.08700784
  H     15.83545254      7.93222704     -9.74674381
  O     13.04883162      7.09535288    -14.34403960
  H     16.21029595      7.09827429    -18.35806099
  H     14.17956423      7.90947200    -17.28558841
  O     18.93322378      4.87288048    -15.65310403
  H     15.67808108      8.30671428    -13.57692720
  H     13.94448667      9.27513836    -16.59019318
  O     16.22903195      5.45353442    -15.89721617
  H     15.23012600      8.26603650    -12.09292262
  H     17.41067157     10.31493786     -9.97177715
  O     16.45595998      5.18133859    -12.07361800
  H     18.29279693     11.35186436    -13.88962557
  H     17.43113246     11.21053854     -8.72880804
  O     20.49436356      8.84610720    -15.21689000
  H     16.84785962     11.36633946    -13.31384069
  H     18.72359077      8.67293517    -11.76391784
  O     17.00142435      7.86156025    -14.68772241
  H     18.09002072      4.84627804    -12.53589808
  H     18.05477301     10.05623101    -11.89447105
  O     14.67849608     11.05660590    -16.15219513
  H     19.39361302      4.06845187    -12.23740740
  H     15.52885505     11.69379466    -10.30943956
  O     16.12792059      7.63379160    -10.60560380
  H     13.10294672      7.50493583    -15.21950863
  H     14.18773440     12.43272722    -10.19746713
  O     13.56226834      8.40255506    -16.73177721
  H     13.58168020      7.66146169    -13.76916915
  H     20.81600681      6.39508563    -17.64964860
  O     16.83947055     10.80264420     -9.35775680
  H     17.98019860      4.95846170    -15.79884240
  H     19.72239925      6.08425379    -16.60318304
  O     18.20738809      9.32499748    -11.27231198
  H     19.04294600      4.75131570    -14.70312837
  H     14.88684463     10.30731647    -13.26975194
  O     14.83741095     12.13222028    -10.82836445
  H     15.53626483      5.14221925    -15.30112277
  H     14.83568526     11.69526535    -12.59243931
  O     20.10902086      6.79321258    -17.14821607
  H     15.81599106      5.77785104    -16.70787612
  H     19.81025945     10.41347471    -15.37542265
  O     14.94840186     11.25920703    -13.44799801
  H     15.69645923      5.06032125    -12.65586141
  H     19.96110998     11.91327119    -15.73382071
  O     19.32493541     11.25441757    -15.47083844
  H     16.28200038      5.96047293    -11.53249822
  H     18.57379391      7.47900090    -18.01972500
  O     17.75622357      7.85610969    -18.36518968
  H     20.41404745      8.18819310    -15.91854471
  H     17.59089311      8.65667572    -17.84625500
          69
 Energy    -248.31927991757465     
  O     -4.46503917      2.15151281     -3.33579286
  H     -4.97211244      2.30712784     -4.12948992
  H     -5.54345102      0.76545461      3.75829273
  O     -6.70806399      1.97334586      0.50569189
  H     -4.74568340      1.28423153     -2.99604255
  H     -0.91312358      1.13586788      1.79515796
  O     -3.44320513     -0.73279015      2.31192106
  H     -5.82252861      1.58359943      0.54824456
  H      0.04759242      2.30146897      1.51945039
  O     -1.41453374     -0.79657895     -1.52638022
  H     -6.61225295      2.72232427     -0.09648523
  H     -1.70797343      2.71162852      0.49448845
  O     -5.09397465     -0.24570355     -2.18216321
  H     -3.78645450     -0.29646083      3.09971693
  H     -2.80807156      3.71372519      0.04135951
  O     -4.79694065     -2.75614056      0.93153600
  H     -3.71028794     -0.17106412      1.56450371
  H      0.86086671     -0.71321512      1.18951658
  O     -3.52671514     -2.52248793     -1.65228039
  H     -0.47299866     -0.95421665     -1.69501858
  H      2.27701087     -1.12090626      1.65655131
  O     -1.76872487      1.79166916     -2.60116651
  H     -1.62650123      0.05996713     -1.91830427
  H      1.78020142      1.27394860      0.64490288
  O     -0.93065781     -0.66385292      1.25431979
  H     -5.98680851     -0.34431832     -1.81203787
  H      1.36849622      2.20299259     -0.50900371
  O      1.30088621     -0.83077013     -1.81363471
  H     -4.64802866     -1.09794955     -2.12109970
  H     -7.54318805     -0.97634685     -0.17214800
  O     -6.96689535      0.46288979      2.82794275
  H     -4.28045894     -2.16816181      1.50006724
  H     -7.39926016      0.52436100     -0.46542295
  O     -4.69033923      0.90995388      4.20750071
  H     -4.37062120     -2.74129650      0.06760516
  H     -2.42606120      2.76555423      2.76202167
  O     -0.81406181      2.09007877      1.91009316
  H     -2.72807336     -1.96924404     -1.60753983
  H     -3.79410127      2.38269798      3.37957853
  O     -2.26772176      2.96960380     -0.25149975
  H     -3.30052407     -3.28919982     -2.17331684
  H     -7.88012951     -2.76106386      1.66495567
  O      1.80843706     -0.62780555      0.98811293
  H     -2.60572929      1.91188816     -3.06370135
  H     -6.45663820     -2.32984640      1.24177108
  O      1.51141027      2.17983493      0.44434859
  H     -1.87431886      2.27826125     -1.76585900
  H     -4.40280493      0.48043215     -0.62837769
  O     -7.47467441     -0.33970682     -0.89411690
  H     -1.15308749     -0.69140006      0.31348773
  H     -3.52748527      1.60155026      0.02457784
  O     -3.32059887      3.08990919      2.92661886
  H     -1.75058575     -0.82764806      1.74079550
  H     -4.03253834      5.65115892      1.21011603
  O     -7.35746349     -2.00373979      1.41516153
  H      1.63418607     -0.85077783     -0.90738633
  H     -3.88049436      4.18348911      1.67093888
  O     -4.12902583      0.87122645      0.21148788
  H      1.35367898      0.09245150     -2.09412765
  H     -5.22489324      3.41362532     -1.89727354
  O     -4.03485499      4.75151020      0.89395184
  H     -7.14415675     -0.39906894      2.43226412
  H     -5.15876766      4.24471798     -0.58833041
  O     -5.76152599      3.88906576     -1.25429437
  H     -7.04548525      1.10405978      2.10794272
  H      1.38229436      2.51354597     -3.08503508
  O      0.99757029      1.95278229     -2.41527905
  H     -4.86994837      0.90909393      5.14369542
  H      0.04234804      1.93354170     -2.58671545
          69
 Ord_Energy   -248.319107    
 O  -0.577837706      0.356626272      0.618103325    
 H   0.336452156      0.310961664      0.887558758    
 H   -1.10939586       7.85185173E-02   1.38265443    
 O   -3.83689618       3.37196136       1.59761918    
 H   -3.78437734       2.76149297       2.34731317    
 H   -4.39540291       4.10635042       1.88238847    
 O   -5.63109398      -1.95289230       3.30991793    
 H   -6.04293680      -1.14743876       3.64947295    
 H   -6.30661392      -2.48122954       2.85773182    
 O   -3.09884858      -2.90416050       3.64499116    
 H   -3.02325511      -3.46132255       4.41480064    
 H   -4.02695513      -2.61196828       3.59814405    
 O   -2.11146593       2.47768235     -0.483298004    
 H   -1.53234410       1.79039216     -0.130725101    
 H   -2.56203508       2.88251877      0.269013882    
 O   -8.28837395      -1.27056718     -0.101360470    
 H   -7.45137835      -1.48247087     -0.548831224    
 H   -8.98151493      -1.40272808     -0.744138002    
 O   -3.60819149      -1.03764391      -2.57800055    
 H   -4.44325733      -1.41965663      -2.28113747    
 H   -3.73122168      -8.14355165E-02  -2.54208946    
 O   -2.37088752     -0.459346175       2.52139068    
 H   -3.06081343     -0.527760804       1.84059727    
 H   -2.40837646      -1.29055274       3.01033330    
 O   -7.79559612       1.12307453       1.35633862    
 H   -8.10464478      0.322738349      0.916476488    
 H   -7.05990267       1.45461500      0.817024231    
 O   -7.50644112       2.65216255       5.42246532    
 H   -7.88824844       2.79185534       6.28429413    
 H   -6.63681412       3.09168291       5.42096853    
 O   -5.52621269       1.82996488       3.50126103E-02
 H   -4.97237015       2.42881799      0.555392087    
 H   -5.14093304       1.79263842     -0.849601507    
 O   -3.91604996       1.57394207       3.71247911    
 H   -3.30140495      0.883453727       3.43472481    
 H   -4.80059147       1.18221200       3.72187662    
 O   -1.82430828      -1.99631000     -0.645428002    
 H   -2.38006258      -1.67963624      -1.37259495    
 H   -1.32085598      -1.23440206     -0.345948964    
 O   -3.16751838      -3.85460186      0.899491429    
 H   -2.65576410      -3.23044872      0.361491889    
 H   -3.04282856      -3.60172272       1.81891322    
 O   -5.05645895       3.77852869       5.08823681    
 H   -5.18189812       4.37871408       4.34232473    
 H   -4.49406099       3.06440616       4.75946379    
 O   -5.56274796      -4.59815216      -4.35779318E-02
 H   -4.67988873      -4.37198734      0.305989951    
 H   -5.49726534      -5.47781324     -0.403731406    
 O   -7.38398790      -3.31856847       1.74290085    
 H   -7.83445692      -2.68172479       1.17618406    
 H   -6.82531071      -3.85026646       1.15967476    
 O   -6.56594133      0.574358344       3.79477835    
 H   -7.02479362      0.743577778       2.95915341    
 H   -6.95038128       1.16781211       4.45101452    
 O   -3.98830676       1.78954399      -2.29598856    
 H   -3.93573952       2.35402155      -3.06264329    
 H   -3.25063396       2.04143119      -1.70982349    
 O   -5.71375942       5.16436815       2.65316343    
 H   -6.53989458       4.65004301       2.61700249    
 H   -5.94944954       6.07519341       2.49859619    
 O   -5.83096457      -2.02349496      -1.10128140    
 H   -5.76049805      -2.96717334     -0.905576885    
 H   -5.29547215      -1.57433784     -0.427655518    
 O   -7.95508814       3.61262417       2.74982357    
 H   -7.97961473       3.31757593       3.66888833    
 H   -8.07073116       2.81940508       2.21228194    
 O   -4.63501930     -0.650472403      0.977636397    
 H   -5.09910011      -1.02062821       1.74026847    
 H   -4.99648714      0.218386337      0.759362936    
          69
 Energy    -248.31904449039948     
  O     14.43619600      9.19616965    -10.63818167
  H     14.99682420      8.60829895    -11.16839773
  H     15.53752527      5.89826952    -15.33412251
  O     13.45407222     10.24675642    -16.52106744
  H     14.01878866      9.77775507    -11.28381131
  H     17.51921472      3.05290640    -11.25716278
  O     16.57911627     10.91409469    -13.34820395
  H     13.18163581      9.50575155    -15.96496743
  H     17.51835725      4.29327537    -12.17979900
  O     13.19310304      5.61833838    -13.57423499
  H     13.20330175     11.04219000    -16.03445783
  H     20.05947986      7.36789124    -14.90355207
  O     16.86093505      7.36223438     -7.79108891
  H     15.66086895     10.69343892    -13.14022394
  H     18.75317926      8.18850330    -14.86722592
  O     15.82980066     12.77432606    -15.32945038
  H     17.09730704     10.86644738    -12.53631053
  H     12.68109150     13.37529105    -14.84275314
  O     16.00744527      7.52778674    -12.21574713
  H     13.80638241      5.21322055    -14.19651128
  H     14.09227552     12.76053027    -15.01608158
  O     13.79201045     10.48570886    -13.00735461
  H     13.58321695      5.45157185    -12.70542204
  H     14.07661027      8.10095600    -14.79432448
  O     18.74816132      7.91526267    -11.70351087
  H     17.41045416      6.86462677     -8.42297609
  H     12.89297067      7.39242926    -14.15642353
  O     18.26049793     10.61998258    -11.10118733
  H     17.15111901      7.11311397     -6.91791265
  H     15.99483550     10.84255895    -18.30307999
  O     17.80641496      4.91467895    -13.79295098
  H     16.19379245     12.27589877    -14.58435698
  H     15.09383614     10.48636514    -17.09916405
  O     15.44105884      4.93031738    -15.37700984
  H     15.98036625     12.22069234    -16.10506511
  H     15.14378622      6.97684363     -8.52561168
  O     17.29156174      3.97858518    -11.28670534
  H     16.93278249      7.56931609    -11.94689340
  H     14.15476327      7.67626111     -9.47411998
  O     19.22714823      7.45470300    -14.44382464
  H     15.62584488      6.69714584    -11.89719802
  H     15.53494174      4.69453244    -11.14177600
  O     13.15779721     12.55002632    -14.84107189
  H     13.49496673      9.69041793    -13.47352981
  H     14.56514756      5.68150932    -10.39617875
  O     13.14879538      8.23787378    -14.54840200
  H     13.46535628     11.23951336    -13.51168507
  H     18.61506059      6.69765803    -10.32970818
  O     16.00474296     10.71541869    -17.35807382
  H     18.69649258      8.86444899    -11.53014717
  H     18.00461552      5.29427804    -10.13873195
  O     14.34419116      6.83104338     -9.04637605
  H     19.03230576      7.79124944    -12.61740424
  H     15.85033378      7.55952381    -13.96196045
  O     14.75705575      5.25441125    -11.24612141
  H     17.70202526     10.38743611    -10.33552992
  H     16.41273443      8.24535687    -15.23914826
  O     18.32528594      6.06612974     -9.65727592
  H     18.85458434     11.30693484    -10.81137037
  H     15.79717981      9.74864045     -9.55381762
  O     15.77957756      7.59000663    -14.93105420
  H     18.23857572      5.73300868    -14.05690869
  H     16.77637427      9.07486541     -8.57108226
  O     16.64949808      9.86531510     -9.10951802
  H     17.02813305      4.81927249    -14.35788919
  H     17.25003363      9.92534300    -16.22709572
  O     17.68832344      9.53253118    -15.46095121
  H     15.26423098      4.71294319    -16.28915469
  H     17.36848174     10.02153001    -14.68588092
          69
 Energy    -248.31886062306415     
  O     14.15374367     10.71101976     -8.73782521
  H     14.22454764     10.42945529     -7.82992386
  H     11.57213565     13.85341878    -12.84472941
  O     11.05387045     11.50164370    -15.10756124
  H     14.65038618     11.54606312     -8.81379363
  H     16.01684294     13.62767253    -16.03530190
  O     14.92914509      9.21586410    -11.08485725
  H     10.97883790     12.28339002    -14.53914342
  H     16.98597875     13.56642086    -17.24017064
  O     18.64635136     13.89592281    -12.85156475
  H     11.22103764     11.81703570    -16.00412313
  H     13.39771988     14.35375911    -11.05529872
  O     12.04435517     11.36254313    -10.46186236
  H     14.06292431      9.06911320    -11.48546547
  H     12.58200768     12.99815290    -11.05189151
  O     12.41823958      9.30803069    -12.36913790
  H     14.75613445      9.67479774    -10.25448279
  H     11.76278710     14.52648785    -14.91450849
  O     13.63212305     10.53958908    -14.52880140
  H     18.48470654     13.19301249    -13.50695889
  H     12.22374568     14.08773474    -16.31981295
  O     14.75281429     15.42397428    -10.36575698
  H     19.57791937     14.09599469    -12.88437505
  H     15.59158589     12.37482889    -12.38380665
  O      9.84977254      9.59004251    -13.53703664
  H     12.17261478     10.68114627    -11.13701674
  H     14.12950851     12.89588559    -12.47902804
  O     15.04013091     14.48182150    -14.84895392
  H     12.65742359     11.14302402     -9.74918036
  H     17.48977177     12.09308532    -15.26126931
  O     14.32707075     11.31567868    -17.14538418
  H     11.50831919      9.20078182    -12.66978753
  H     17.59613955     11.09981229    -14.06430946
  O     10.82565322     13.69137865    -13.44028678
  H     12.91355599      9.62734603    -13.13865231
  H     11.70800695     12.61152112    -18.43159624
  O     16.52403083     13.02381679    -16.60587410
  H     14.11077576     11.19354238    -13.99663789
  H     12.82797407     12.14021548    -17.47091639
  O     12.85782620     13.75723954    -11.58712271
  H     12.75907575     10.91008248    -14.72582499
  H     16.29699353      9.53475497    -12.13212891
  O     12.40965578     14.71060158    -15.60684791
  H     14.65491087     16.30161882    -10.00600719
  H     17.63701069      8.97943618    -12.65136414
  O     14.83819508     12.46301447    -12.97696735
  H     15.33556814     15.50456660    -11.14196291
  H     17.72684009     12.79541593    -11.67883679
  O     18.03207513     11.83769180    -14.50473096
  H      9.20660697      9.05905259    -13.99959735
  H     17.26324649     11.30929617    -11.62860288
  O     11.96373917     12.58817427    -17.51389465
  H     10.21564404     10.21583238    -14.18592670
  H     10.26049334     11.73968012    -11.15869323
  O     17.09766292      9.76638679    -12.63618433
  H     14.99518342     13.75804152    -14.20536382
  H      9.46585959     11.05484647    -12.27881846
  O     17.11889706     12.18401547    -11.24421650
  H     14.13202088     14.66406104    -15.13191250
  H     17.17224200     15.10537094    -12.65262024
  O      9.53238951     11.87668383    -11.77860988
  H     14.19832282     10.88802636    -16.28776881
  H     15.87099343     15.39465047    -13.41639976
  O     16.33071663     15.57170642    -12.58503201
  H     15.12382358     11.85245292    -17.05597294
  H     15.27485826     13.85746341     -9.40917926
  O     15.54774029     12.97621475     -9.13183617
  H     10.18830961     13.19901377    -12.90252373
  H     16.18273209     12.68053411     -9.80170015
          69
 Energy    -248.31880564722496     
  O     13.87025165     15.32047780    -10.22753451
  H     13.87330339     15.42697356    -11.19572842
  H     14.81642233     12.39911219    -14.24313668
  O     16.01962667      9.49736510    -10.85861456
  H     13.32572831     16.02019190     -9.87720969
  H     11.19116499     13.72552717    -14.51342386
  O     16.41391510     15.75579485    -14.26746388
  H     16.65396336      9.85049346    -11.50035629
  H     11.98698456     12.80788768    -13.55513735
  O     14.22052339      9.52149392    -14.94927628
  H     15.97717858     10.13341895    -10.13582614
  H     18.94518285     13.23931502    -14.08648687
  O     16.23590785      6.83765567    -11.83205764
  H     16.97622090     15.16821762    -14.79709806
  H     18.78424426     12.06609887    -13.09181937
  O     17.16397695      6.63546611    -14.38762188
  H     16.54681447     16.63674105    -14.61163180
  H     13.61993532     13.49428571    -10.26408657
  O     15.50902838     12.54216888    -12.58006499
  H     14.00717367      9.40982562    -14.01111456
  H     14.21604231     12.13408309     -9.79697281
  O     13.59041793      9.17486622    -12.26992778
  H     14.14253455     10.46616613    -15.13028372
  H     15.91456220     12.06412141    -16.10344421
  O     16.97178660      9.30914000    -15.22468453
  H     15.30983703      6.57405655    -11.90172907
  H     17.01495115     10.97917390    -16.14005132
  O     18.15426255     14.07894766    -15.67057824
  H     16.23554715      7.68693695    -11.37224709
  H     14.20796365      7.62854755    -15.20152820
  O     12.00221445     11.51716196    -12.39736031
  H     17.81423745      5.94084563    -14.44652459
  H     15.30953146      6.57873314    -14.95473336
  O     14.38918098     12.31451497    -15.10977089
  H     16.91291700      6.70521018    -13.44913422
  H     15.85784839     11.38077257     -7.94910143
  O     12.06597084     13.55718303    -14.17432566
  H     16.09887851     13.26368967    -12.32448678
  H     16.07382697     12.46193414     -9.03094503
  O     19.19031728     12.93663496    -13.20404500
  H     14.82628649     12.48248664    -11.90216409
  H     17.11620925     15.12945811    -12.60837982
  O     13.60414782     12.54092285    -10.42220578
  H     14.38940765      9.33431673    -11.74934367
  H     18.14269077     14.01683310    -12.25558252
  O     16.81643493     11.88513536    -16.40627034
  H     13.41993723      8.22508092    -12.23661645
  H     16.79424780     11.31259305    -12.81168078
  O     14.35236115      6.69102090    -15.01497914
  H     16.00563636      9.36438001    -15.16363632
  H     17.41138866     10.18334088    -13.68797164
  O     15.75595328     11.55307170     -8.88185556
  H     17.19461633      8.38898815    -15.03897899
  H     14.64108219     15.49545381    -13.47059847
  O     17.39867636     14.53244366    -11.90672334
  H     17.69360088     13.27727615    -15.97948245
  H     13.23316089     14.85247363    -13.39292679
  O     17.52226576     10.67352897    -12.86234952
  H     18.79868867     14.29704838    -16.33900364
  H     12.83847803      5.66836549    -12.35555495
  O     13.83585895     15.45751988    -12.94261644
  H     12.39322447     10.63658841    -12.44546496
  H     13.71432462      6.39711547    -13.40445825
  O     13.47582974      6.36898967    -12.46008652
  H     12.40872346     11.90942832    -11.61060153
  H     16.88055726     14.31953574    -10.17827708
  O     16.36046494     14.15771621     -9.37798966
  H     13.54512172     12.77080205    -15.02108765
  H     15.54833853     14.66054513     -9.51231553
          69
 Energy    -248.31873362644808     
  O      1.69340371     -7.05923150     -5.60001453
  H      2.10244638     -7.61196688     -4.92065986
  H      3.71281579     -7.40210596     -3.42087638
  O      3.68977280     -5.28938950     -6.13620293
  H      1.00067653     -6.55655544     -5.15222609
  H      2.61028149     -5.46903860      3.16185388
  O      2.58545533     -7.07018934      2.31152135
  H      2.97547471     -5.94726022     -6.06168208
  H      2.56563861     -4.52582260      4.38558517
  O      2.42307931     -5.14772029     -0.71465925
  H      3.94184521     -5.25789892     -7.05501210
  H      2.95835502     -3.51102641     -3.62364466
  O      0.28596235     -7.86337919      0.49750099
  H      3.32574761     -6.85334326      1.71894484
  H      2.75075863     -3.98325877     -5.07245168
  O      1.06055310     -3.69810540      1.25092524
  H      1.80776409     -7.20384432      1.75893535
  H      4.62886101    -10.79598531     -1.59262471
  O      4.84672655     -1.90769060     -0.26682311
  H      1.91555239     -4.64106877     -0.06708250
  H      3.78873092     -9.78359355     -0.78125860
  O      4.13588307     -3.72377752     -2.27070862
  H      1.83503451     -5.76997678     -1.15579792
  H      3.02508612     -8.98410060      1.37400394
  O      0.15952051     -5.31929819     -3.92216307
  H     -0.49514926     -8.41209161      0.53810250
  H      1.83605511     -9.14351467      0.45252672
  O      4.89282248     -6.01965465     -3.64613246
  H      0.44190877     -7.64947848     -0.44111760
  H      0.53540188     -6.53363877     -2.66389332
  O      1.98740729     -1.53588064     -0.05032521
  H      1.54841058     -3.86238203      2.06477510
  H      1.67283034     -7.56490322     -2.43872648
  O      3.07744348     -8.13061075     -3.35900175
  H      1.35454518     -2.85053389      0.87777420
  H      4.95569492     -4.65053710      1.34001028
  O      2.64156791     -4.53698084      3.43481697
  H      5.51526771     -1.24882123     -0.10030202
  H      4.16997459     -3.86447530      2.39313858
  O      2.30105051     -3.55634898     -4.33425002
  H      4.88233632     -2.53674518      0.47607615
  H     -2.38281275     -3.54859907     -2.17843124
  O      4.33492119     -9.88865531     -1.57840460
  H      4.50486222     -3.03266357     -1.70941419
  H     -1.36027649     -4.34151386     -1.33335881
  O      2.72073975     -9.48893685      0.61361371
  H      3.48200188     -4.18802589     -1.72390735
  H      5.79684374     -7.03865049     -2.26509564
  O      0.91783172     -7.13580660     -2.01096631
  H     -0.52661330     -4.83557388     -3.44450566
  H      5.54741916     -8.37561843     -1.53077706
  O      4.85139804     -3.76701069      1.71957534
  H      0.89186800     -4.69885674     -4.05348883
  H     -0.05345306     -2.58551829     -2.36743151
  O     -1.49253942     -3.89105449     -2.18517479
  H      4.66444899     -5.79552953     -4.55644703
  H      1.20732336     -2.38814125     -3.22861081
  O      5.98287926     -7.51860298     -1.44825620
  H      4.74938689     -5.21092155     -3.13322279
  H     -0.69529012     -6.02508096      0.38770100
  O      0.72184713     -2.02351661     -2.47970054
  H      1.58031918     -1.60856460     -0.92696976
  H     -0.37241044     -4.54842559      0.65167120
  O     -0.99749783     -5.13512144      0.19579828
  H      2.94192267     -1.54015565     -0.17825602
  H      5.15306181     -6.72702369     -0.06494561
  O      4.55879325     -6.30387137      0.56856876
  H      3.50146117     -8.83241458     -2.85086333
  H      3.83919155     -5.90205418      0.05775072
          69
 Energy    -248.31844088520182     
  O     12.52229726     10.20371849    -15.42765942
  H     13.07763900     10.99033227    -15.43021297
  H     20.57802752      8.07808648    -14.04434166
  O     16.26597551      6.70218403    -12.63391857
  H     13.01261553      9.53166848    -15.92257348
  H     15.92602803      8.09668781    -13.79107341
  O     17.30507401     11.04434229    -11.53565155
  H     16.95263525      7.19365453    -12.16471269
  H     15.13090433      8.60097427    -15.03446251
  O     16.85887270     10.94134887    -15.79693903
  H     15.46046898      6.74850885    -12.10086137
  H     11.60401469      9.57137337    -14.08875609
  O     13.64846908      5.62125827    -15.76227591
  H     16.43148250     11.10470902    -11.95025060
  H     10.18977013      9.29008689    -13.53208958
  O     13.66807311      9.77283815     -8.71399114
  H     17.94573721     11.19706681    -12.24563201
  H     16.90025007      9.06923644     -8.81141611
  O     13.94326945      7.04443962    -11.19989800
  H     16.10458799     11.54133477    -15.76356266
  H     17.58060044      8.05158170     -9.74172967
  O     14.89755123     11.00030360    -12.83979824
  H     16.59080664     10.16256057    -15.28260290
  H     12.92369746      6.58331190    -12.70297810
  O     18.43848645      6.95294501    -16.10716500
  H     13.19866082      5.93807665    -14.95776568
  H     11.93113015      7.42048504    -13.52605486
  O     14.62695834      7.05095199     -8.48429077
  H     13.10593756      4.92527998    -16.12316163
  H     18.26108833     11.20298958    -14.55158305
  O     16.42161190      5.48697878    -15.09448894
  H     14.51825038     10.22754782     -8.76631831
  H     19.22275658     10.19868653    -13.90461754
  O     19.65268309      8.30337944    -13.97172239
  H     13.88109716      8.85461472     -8.50559982
  H     17.86203649      9.26406802    -11.52399865
  O     15.72522965      8.87434481    -14.32303202
  H     13.70172377      7.97670022    -11.30073582
  H     18.77701817      8.28336549    -12.29180921
  O     11.11684319      9.16191997    -13.35017571
  H     14.10638307      6.90622225    -10.25911417
  H     16.70078821     11.59531171     -8.41343621
  O     17.07528674      8.12555039     -8.92303760
  H     15.18721134     10.24319104    -13.37451071
  H     16.73469234     11.01599932     -9.84240867
  O     12.44774557      6.60654179    -13.54308966
  H     14.19692670     10.65699227    -12.26782075
  H     17.30483114      8.15541075    -17.12850160
  O     18.86026159     11.08623821    -13.80198493
  H     18.91977593      6.40899066    -16.72640709
  H     16.83431099      9.61519339    -17.20060699
  O     18.19268320      8.35453030    -11.52703751
  H     17.70989046      6.40246221    -15.76579646
  H     12.20169951      9.57161748    -11.80150177
  O     16.36626695     10.88257315     -8.95303662
  H     15.54268133      7.35744827     -8.61554015
  H     12.99618514      9.78841735    -10.41966649
  O     16.68739466      8.74022221    -17.58365741
  H     14.64436555      6.43201579     -7.75968516
  H     14.27408794     13.30172168    -15.05794420
  O     13.06023723      9.68925061    -11.38005445
  H     15.50253946      5.44246053    -15.38143766
  H     14.58019399     12.01303082    -14.25917946
  O     14.44158935     12.36765304    -15.15521947
  H     16.39549642      5.76201210    -14.16573683
  H     14.98095810      8.36104552    -17.07306291
  O     14.16265570      8.26039461    -16.56408759
  H     19.20498808      7.86167748    -14.70986682
  H     13.98252027      7.31926941    -16.44972116
          69
 Ord_Energy   -248.318222    
 O   0.983696759     -0.767788768       6.71949053    
 H   0.985519826     -0.758419991       5.74514294    
 H    1.83863306      -1.08899868       6.99352789    
 O   -7.02169371      -2.50415277       7.48610401    
 H   -6.09823513      -2.69437575       7.27313614    
 H   -7.01621151      -1.96842968       8.28841400    
 O   -3.43852735       2.53539824       5.62732077    
 H   -4.11415911       3.14958787       5.31510019    
 H   -3.01378727       2.15263796       4.84627008    
 O   -4.86545515      0.293096036       6.41820860    
 H   -5.73209953      0.552735448       6.75990868    
 H   -4.39360666       1.09236491       6.14324331    
 O   -2.40373921       1.36539006       3.37343287    
 H   -1.51141179       1.73495269       3.36897922    
 H   -2.31333423      0.433464944       3.62401605    
 O   -5.60213423       3.94802737       4.54366064    
 H   -5.53074741       3.24777341       3.86963964    
 H   -5.70164013       4.77026081       4.07108402    
 O   -6.16436958     -0.427160442       3.96434021    
 H   -5.62694359     -0.167017743       4.72423744    
 H   -7.01190519     -0.701095760       4.33611298    
 O   -5.00656366      0.907725215       10.2109575    
 H   -4.21404219      0.509240150       9.82887554    
 H   -4.93081379       1.84986579       10.0174522    
 O   -5.14770603       1.92649531       2.79983068    
 H   -5.59432411       1.09832883       3.01880813    
 H   -4.20112514       1.73210478       2.80232620    
 O   -7.19255733     -0.557680070       9.61413383    
 H   -6.40651417      -5.70819490E-02   9.89712811    
 H   -7.71841717     -0.705240130       10.3958511    
 O   -1.63458753      -1.76744509       6.97563982    
 H  -0.689377129      -1.57338631       6.95702744    
 H   -2.01603603      -1.13446057       7.60162592    
 O   0.163925275       2.00134325       6.54239893    
 H  -0.499935687       2.29828238       7.17537546    
 H   0.411011964       1.09988308       6.78149557    
 O   -4.57784462       3.59640479       9.31917095    
 H   -5.20430374       3.59524322       8.57345104    
 H   -4.76497793       4.38054848       9.82929134    
 O   -8.38192749      -1.16100848       5.56153250    
 H   -9.21522141      -1.57575536       5.35597277    
 H   -7.93412304      -1.73191869       6.21283913    
 O   0.222448990       2.22267962       3.83369160    
 H   0.204785600       2.21678424       4.80815172    
 H   0.810346842       2.92612791       3.57272863    
 O   -7.47005558      0.913597047       7.25216532    
 H   -7.48926973      0.463897288       8.10851097    
 H   -7.92388487      0.337186545       6.62454033    
 O   -2.15702105       2.77008867       8.02903080    
 H   -2.54480147       2.75083995       7.13817883    
 H   -2.83982372       3.15771866       8.58943748    
 O   -4.35294008      -2.50158978       6.61819267    
 H   -4.54174709      -1.56130350       6.48481703    
 H   -3.41007185      -2.54308391       6.81897974    
 O   -6.35305119       3.47797680       7.25946999    
 H   -6.87676716       2.66552877       7.26202011    
 H   -6.20709229       3.70059705       6.33272696    
 O   0.707479358     -0.607720077       4.02051830    
 H   0.660474718      0.331638515       3.80502510    
 H  -0.192885205     -0.945719004       3.91284704    
 O   -2.92770576      0.144213006       8.49534225    
 H   -2.51932001       1.01879847       8.42458439    
 H   -3.65633845      0.147849977       7.85917950    
 O   -2.02912116      -1.23427331       4.21130896    
 H   -1.92895198      -1.39401114       5.15870571    
 H   -2.76907253      -1.78031802       3.91140270    
 O   -4.36069822      -2.63071346       3.75615644    
 H   -4.42534542      -2.84443283       4.69608164    
 H   -5.04190254      -1.96367538       3.60449958    
          69
 Energy    -248.31818294262183     
  O     10.51974379     10.15623064     -8.76298377
  H     10.63461738     10.79940929     -9.48008682
  H     13.53213682     12.12483995    -13.91195901
  O     13.80889215      8.74910584    -16.51453692
  H      9.65370696     10.31112213     -8.39201013
  H     17.21742850      9.98180524     -9.80388317
  O     11.30089328      7.84701201    -10.35748239
  H     14.22736613      8.60885398    -17.35968520
  H     16.98833376      9.10574307    -11.06867512
  O     14.44769206      8.43215628    -13.81444753
  H     13.38567336      9.62561873    -16.55420791
  H     16.59833260      6.74978940    -12.09185260
  O     12.45556468     11.11189421    -16.55023754
  H     12.22299677      7.68906733    -10.10961111
  H     15.59354305      7.80897775    -12.60002506
  O     11.82495289      8.45479296    -12.97964708
  H     10.98304866      8.53463401     -9.76188948
  H     12.17509517     14.87855364    -11.42194023
  O     14.82297167      8.63165498     -7.34964724
  H     14.34913361      8.46110333    -14.77459657
  H     12.06700070     13.34139271    -11.35748088
  O     13.68206533     10.59074872    -10.67623024
  H     13.55135137      8.39431620    -13.44366436
  H     14.78164352      7.64348716    -10.53359427
  O     12.85439066     10.57533320     -7.07864837
  H     11.51974779     10.88123289    -16.49417159
  H     13.89352809      8.85830439    -10.19274895
  O     15.29028552     13.77329921    -10.66792412
  H     12.60524628     11.78765561    -15.87701916
  H     17.98599702     12.46162844    -12.53198337
  O     11.22714334     11.75446681    -10.91661163
  H     11.44190965      9.33015426    -13.11837588
  H     17.27548202     11.38350612    -11.67406671
  O     12.78195382     12.66964721    -14.20162447
  H     11.58200398      8.17446336    -12.08562075
  H     10.20120346     10.72591015    -14.31316435
  O     17.35113520      9.94344602    -10.75982325
  H     14.09974267      9.22914852     -7.10714649
  H     11.38676635     11.57045446    -13.78905875
  O     16.15624242      7.55950681    -11.84788527
  H     14.55317283      8.22186896     -8.18190612
  H     15.01991465     12.76501351     -9.20671848
  O     12.57934209     14.07291652    -11.73715253
  H     14.11727487     10.81894249    -11.50678752
  H     15.57226667     11.57011247     -8.35759393
  O     14.06365706      7.93143441     -9.96027611
  H     14.10080778     11.09187745     -9.96168966
  H     15.66669233     11.43883587    -13.00918512
  O     17.12932547     12.16797545    -12.23551269
  H     13.39465170     11.23032058     -7.54049853
  H     14.80919298     10.19283086    -13.46938526
  O     10.67170074     10.97937519    -13.51009087
  H     12.06671603     10.43734062     -7.61655796
  H     10.22376210      9.21000354    -15.94539553
  O     14.77166355     12.05362090     -8.59786551
  H     14.45718360     13.88596463    -11.13998790
  H      9.01098804      9.97103643    -16.53528684
  O     14.77601500     11.12190836    -13.20779763
  H     15.90168854     13.32640113    -11.26541276
  H     16.18181325      9.61393903     -7.71607480
  O      9.81374837     10.08932265    -16.03555757
  H     12.07125467     11.28131196    -10.81986296
  H     17.50890154     10.28575812     -7.28798145
  O     16.87370035     10.24122551     -7.99725242
  H     10.84737791     11.47752790    -11.76217643
  H     12.08522097      7.94158241    -16.02667491
  O     11.21601081      7.79683107    -15.63491895
  H     12.68192832     13.34482766    -13.52120623
  H     11.35610881      7.82708881    -14.67739276
          69
 Energy    -248.31812364534551     
  O     -5.99141809      2.77978665      0.81756705
  H     -5.26209127      2.15711886      0.68007911
  H     -5.19393210      0.31405667      4.93889184
  O     -4.33485342      1.93906501     -3.27391220
  H     -6.64204743      2.27425300      1.32101528
  H     -0.72637270      0.72589054      1.97318891
  O     -3.70584033     -1.24275118      2.16453304
  H     -4.81638345      1.22658517     -2.82111421
  H      0.38982288      1.78257370      1.86165885
  O     -1.38884418     -1.14663107     -1.42964007
  H     -4.68573474      1.98466411     -4.16046659
  H     -1.35378620      2.47239721      0.83571896
  O     -5.47161531     -0.00709765     -1.70604002
  H     -4.27495176     -1.91278598      1.76910078
  H     -2.13346018      3.62667784      0.09908835
  O     -5.26692475     -3.09010854      0.68824122
  H     -4.19146598     -0.81202012      2.88141053
  H      0.76284940     -1.20272550      1.21805527
  O     -3.90380577     -2.35597650     -1.49921763
  H     -1.51802828     -0.25659396     -1.78715930
  H      1.89931360     -0.19586597      0.97090352
  O     -1.64740351      1.47286037     -2.36540800
  H     -0.48679853     -1.40955392     -1.65087650
  H      2.70092513      2.28814676      0.77496974
  O     -1.09656459     -0.94607496      1.35913945
  H     -4.88795166      0.32607200     -1.00174906
  H      1.64348277      1.66130492     -0.16184673
  O      1.37446521     -1.57005907     -1.76863707
  H     -6.25949012     -0.32114305     -1.25024633
  H     -3.36441816      2.91855185      3.21885931
  O     -7.28414353      0.80725311      2.25683381
  H     -4.73595802     -2.91053828     -0.11110295
  H     -2.10853051      2.00564756      3.26644283
  O     -5.01124146      0.34720474      4.00365221
  H     -5.24198183     -4.03180187      0.83402575
  H     -8.13309069     -1.65147261      0.04777435
  O     -0.50530303      1.64322348      2.19624058
  H     -2.98906991     -2.04324035     -1.49741775
  H     -6.65043955     -1.92362848      0.38121831
  O     -1.86375373      2.70143717      0.04801039
  H     -4.44006608     -1.59880177     -1.76785712
  H     -3.21677934      1.52287923      0.29803808
  O      1.67220265     -1.13108382      0.89556176
  H     -1.68249279      1.96171068     -1.52689561
  H     -3.78830257      0.23958865      0.99908860
  O      1.92539409      1.73340315      0.76734283
  H     -2.48460829      1.64735225     -2.80842111
  H     -3.66311024      4.93761102     -0.56956693
  O     -3.01178888      2.09314892      3.58586294
  H     -1.94359056     -1.16684528      1.76805846
  H     -2.73031376      6.14887143     -0.31905947
  O     -7.28566610     -1.22517003      0.15923250
  H     -1.23385294     -0.99271888      0.40237826
  H     -4.75330368      3.41896917     -2.06382246
  O     -3.96988023      0.91973708      0.34090869
  H      1.97110261     -2.22277122     -2.12359502
  H     -5.47165327      3.69596674     -0.71694941
  O     -2.93428030      5.26988937     -0.01337012
  H      1.56224677     -1.50223604     -0.81486864
  H     -3.72277247      4.77726546      1.69064776
  O     -4.93711693      4.10487464     -1.41328568
  H     -7.27769520      0.10275739      1.59855002
  H     -4.92586919      3.86029518      1.93921657
  O     -4.17803173      4.28441140      2.38198961
  H     -6.55123379      0.62849786      2.85974686
  H      0.26449592      1.45487816     -2.15567955
  O      1.15584416      1.29127224     -1.82410839
  H     -4.29864415      1.00349633      3.88417602
  H      1.31331364      0.34745610     -1.95326104
          69
 Energy    -248.31810957795290     
  O     17.63185371      7.06251769    -14.17058978
  H     17.47057994      7.45679001    -15.03488370
  H     18.47200923     11.29572480    -15.06811497
  O     19.46328393     11.08410202    -11.73123904
  H     16.93202324      6.40850676    -14.05181475
  H     15.42167713     10.37697543    -19.34895804
  O     17.77556990     14.23592949    -13.87601196
  H     18.93040681     11.50752285    -11.04834316
  H     15.35715669     10.84556179    -17.87712914
  O     15.31299016      5.39897479    -13.84114345
  H     19.17114878     10.16265403    -11.76956195
  H     16.97774485      9.87394217    -12.51035242
  O     15.74009759     10.22578627     -9.45498499
  H     18.52955512     13.65661325    -14.03680112
  H     16.30423177     11.30258728    -12.57447125
  O     14.66233519      6.79088791    -11.62192007
  H     17.39969519     14.45848719    -14.73895318
  H     12.99807069     10.76920242    -15.66118332
  O     13.41526830     13.14316452    -12.85282103
  H     15.07026191      5.80811935    -12.99042957
  H     13.50025607     10.59905310    -14.22542342
  O     12.90099962      9.46406150    -16.92444191
  H     15.17618796      4.46062915    -13.74727423
  H     17.72261082      8.21654167    -11.19713848
  O     16.60278220      7.71430296     -9.79089384
  H     16.37620885     10.94644005     -9.52263569
  H     18.05821408      8.03459692    -12.71572383
  O     16.70069751      8.53983613    -16.50095086
  H     14.92967403     10.51856953     -9.89488747
  H     15.21351369     13.21543298    -12.32251170
  O     14.32845662      7.55690732    -15.36025643
  H     15.30580588      7.04312918    -10.94763856
  H     16.69575119     13.54652053    -12.72135783
  O     17.65919495     10.84140582    -15.31673695
  H     14.31153226      7.61429136    -11.98037608
  H     20.73170099     12.32380170    -14.34398215
  O     15.26606012     10.07208407    -18.45859793
  H     13.31011934     12.58437218    -13.63955460
  H     19.72552705     11.82879457    -13.27872308
  O     16.33375087     10.42530093    -12.97673308
  H     12.76242003     13.83578860    -12.92203453
  H     17.80143087     13.07166500     -9.33905861
  O     13.31633787     11.27060714    -14.89546212
  H     13.20578094      8.68654514    -16.43704995
  H     17.05923166     12.70746381    -10.64581223
  O     18.16113040      8.62496058    -11.95360478
  H     13.57088207      9.61280523    -17.60231488
  H     16.30995396     11.69122962    -16.11562348
  O     16.13589540     13.06874872    -12.08711916
  H     16.27072451      8.61438954     -9.61244369
  H     14.77050483     11.84610320    -15.92759766
  O     19.80048936     12.22584423    -14.16566382
  H     16.83447154      7.33331715     -8.94855447
  H     13.35722024     11.74341475    -11.43884764
  O     17.60449783     12.34520557     -9.92535808
  H     16.28875995      8.87457482    -17.30625295
  H     13.43617536     10.22463108    -11.61068710
  O     15.50449990     12.04770782    -16.52251005
  H     17.14689119      9.30521241    -16.10827381
  H     16.19079344     15.23362051    -17.00701881
  O     13.46971381     10.92387364    -10.94572818
  H     15.15350378      7.89926393    -15.73469164
  H     16.09049936     13.78699937    -16.49583216
  O     16.52269804     14.64000276    -16.33834185
  H     14.54910924      6.70868686    -14.95586457
  H     14.00110590      8.56416156    -13.89206587
  O     13.96216599      9.15255570    -13.12457871
  H     17.17794851     10.67298986    -14.49102929
  H     14.83844824      9.56719280    -13.04068502
          69
 Energy    -248.31800191629520     
  O     -0.60119351     -3.86453816     -4.01251041
  H     -0.76164942     -4.10765249     -3.09244490
  H      2.19859469     -5.36972856     -3.86252669
  O      3.57975986     -3.74031073     -1.80066847
  H     -0.49700522     -2.90053573     -4.03142473
  H      6.18866557     -4.17933599     -6.62834243
  O     -0.73118947     -0.91639855     -6.86382667
  H      3.46140813     -2.81148568     -1.57082940
  H      5.56522840     -5.36735479     -5.86809015
  O      2.62005424     -0.61395608     -4.18647258
  H      3.02881236     -3.89230329     -2.58308683
  H     -1.29016373     -4.68557725     -0.62252194
  O      2.86599109     -1.02045277     -1.36703792
  H      0.19696836     -0.64765180     -6.99000880
  H      0.16624919     -4.85674902     -1.11232963
  O     -0.13609604     -1.13456347     -4.11675963
  H     -1.26178796     -0.33730531     -7.40407366
  H      2.02760837     -7.27431606     -4.36432629
  O      1.68338731     -5.72787434     -1.02454127
  H      3.15908465     -1.34355798     -4.52857534
  H      3.21426189     -7.43346627     -3.37537573
  O      4.72329284     -7.01765153     -6.09018514
  H      2.78963745     -0.58976063     -3.23732628
  H     -0.07628350     -1.33253151     -2.22945960
  O      1.88012936     -4.73665041     -7.70638234
  H      1.91518024     -1.21318722     -1.27373712
  H     -0.09583864     -2.50344982     -1.22177128
  O      3.49793908     -2.41678178     -7.87269958
  H      3.09347449     -0.41279499     -0.66827155
  H      5.10646691     -4.60177314     -2.49690938
  O      5.04692405     -7.73483995     -3.38212967
  H     -0.48909993     -0.96160359     -4.99808863
  H      5.98828812     -4.77976244     -3.76955593
  O      2.10152624     -4.43187940     -4.06778015
  H      0.81362499     -0.94961273     -4.16294424
  H      2.45878531     -0.90294570     -7.43208733
  O      5.99938610     -4.51097812     -5.74205034
  H      2.41069791     -5.09361977     -1.07603867
  H      2.22992287     -0.17522016     -6.08331687
  O     -0.64636658     -4.33488174     -1.23230601
  H      1.82151165     -6.35060296     -1.74937073
  H      3.22106924     -3.41418442     -4.89303199
  O      2.29225616     -7.14899208     -3.44362238
  H      4.96255018     -7.40185957     -5.23753662
  H      4.70972888     -3.32439543     -5.32591665
  O      0.22015195     -1.60095951     -1.34952115
  H      3.75840623     -7.06642259     -6.13492235
  H      6.60542168     -3.67437887     -9.21412516
  O      5.75136323     -5.18029632     -2.92546780
  H      0.98460836     -4.43820125     -7.48214723
  H      5.43000272     -4.52745625     -8.68044027
  O      1.89343467     -0.26017845     -6.98342871
  H      2.40403583     -3.93279060     -7.81276406
  H      1.40441806     -7.66068260     -6.79966607
  O      3.90488155     -2.80418046     -5.21216211
  H      3.61735703     -2.50396936     -6.91234498
  H      1.86767560     -6.19581461     -6.67897258
  O      5.96571835     -3.73201416     -8.50939061
  H      4.34192544     -2.67849329     -8.25619959
  H     -0.68052364     -3.96364683     -5.90835167
  O      1.90957183     -7.06682886     -6.24873250
  H      5.56831679     -8.34682039     -2.87054276
  H     -0.66022069     -2.83421186     -6.95131166
  O     -0.52792669     -3.78433686     -6.84493504
  H      5.34362603     -6.83725872     -3.14185827
  H      3.43166271     -5.60749241     -8.51816264
  O      4.33365397     -5.90810485     -8.68842663
  H      1.15575807     -4.23909458     -4.09022251
  H      4.58213253     -6.44055346     -7.92176674
          69
 Energy    -248.31789250167091     
  O     17.08337118     10.05998430    -10.36972044
  H     16.32061226      9.74208172    -10.87459927
  H     13.16821205      7.87779551     -6.03010446
  O     17.50550579     12.44009685     -9.07049453
  H     17.71806840      9.33504532    -10.28256072
  H     18.17961068      5.43200099    -11.89784317
  O     12.47010679      6.50469635     -7.11676157
  H     17.69575968     13.14401284     -9.68571145
  H     16.84749785      4.67614740    -11.90884113
  O     14.78784371      9.08302498    -11.54351486
  H     17.35489417     11.63954611     -9.60076828
  H     15.34012356      7.30893210     -8.12689523
  O     18.80292854      7.92767051     -9.88675573
  H     12.16176631      6.93351306     -7.93534668
  H     14.22778492      6.28835029     -7.75900469
  O     20.21907339      8.69729663     -7.62568792
  H     11.80367216      5.86839597     -6.87229629
  H     19.70709099      7.29610894    -12.93126106
  O     17.62191082      5.64486744     -8.84191678
  H     14.07644889      9.62252088    -11.17725492
  H     18.93859824      7.47840425    -11.60302127
  O     11.84831131      7.63433593     -9.51092751
  H     14.56497982      8.17112407    -11.30260059
  H     16.75294113      9.50864547     -5.12465059
  O     15.54043705     12.36256243     -6.94692614
  H     18.34325877      7.15143857     -9.53333755
  H     16.62428359      9.77084081     -6.61783269
  O     12.66605046     10.33704460    -10.10857133
  H     19.39382990      8.23069526     -9.18565457
  H     15.74868535      8.20342562    -12.99722633
  O     13.54638445     10.59159802     -7.55595695
  H     21.12710498      8.66834853     -7.33665650
  H     17.12174356      7.51356228    -13.21913029
  O     13.61471112      8.63483601     -5.62978856
  H     19.89666791      9.59980204     -7.45183064
  H     15.00024495      9.54295122     -7.95379177
  O     17.69142769      4.73460496    -11.44438824
  H     17.65809045      5.17322241     -9.68645190
  H     16.25139515      9.40072196     -8.86738834
  O     15.05329367      6.38945718     -8.24623173
  H     16.68745464      5.77060836     -8.62145301
  H     18.71909571     11.66924947     -7.79183852
  O     18.85642226      7.16603796    -12.51931560
  H     11.98168208      8.56855290     -9.70584562
  H     18.45441515     10.85239878     -6.51498535
  O     16.92240358     10.18184327     -5.79095660
  H     12.47343332      7.16419562    -10.08115288
  H     16.91321103      7.37686500     -5.29812564
  O     16.19998163      7.52131143    -13.50880987
  H     16.15779212     12.51495427     -7.67244984
  H     16.34091970      7.21001461     -3.87602106
  O     15.81184275      9.03482961     -8.09170870
  H     15.99811160     11.76034662     -6.34431715
  H     14.46273851      6.35390382     -9.97004870
  O     19.15281653     11.11598365     -7.13254408
  H     12.94278068     10.47935869     -9.18599935
  H     14.38942729      5.87820530    -11.46420164
  O     16.22260875      7.69375374     -4.68944778
  H     12.06110083     11.04279552    -10.32316595
  H     18.09256283      6.33725471     -7.14270314
  O     14.03555953      6.50678938    -10.82495502
  H     13.46126937      9.99935239     -6.79314139
  H     18.92299989      7.54054036     -6.68137268
  O     18.24793473      6.91910426     -6.38755363
  H     14.13275722     11.32455944     -7.31341245
  H     14.88794874      4.58457075    -13.63778636
  O     15.25031737      5.04921198    -12.88844361
  H     14.46323296      8.30892878     -5.30712194
  H     15.56430374      5.91267723    -13.21429969
          69
 Energy    -248.31776012765499     
  O     17.75019567      9.98982834    -17.83613140
  H     17.74807080      9.63574240    -16.93102716
  H     15.89320223      6.27195684    -16.00940614
  O     16.19203333      6.00058474    -12.68742998
  H     16.82494149     10.10711198    -18.08304962
  H     18.45352374      8.01378021    -11.52858186
  O     16.40765773     13.66180452    -12.70397484
  H     15.96651113      5.13242904    -12.36288160
  H     17.89619737      6.72193696    -12.15681798
  O     21.71101392      9.78619151    -14.07032208
  H     16.25896589      5.92246539    -13.65560500
  H     20.90428216      9.53896885    -17.24584583
  O     14.82497972      7.54158024    -16.89463089
  H     15.49139170     13.52847433    -12.97550437
  H     20.65955657     11.01841917    -16.88197177
  O     14.18682480     11.07243866    -11.39682463
  H     16.94762121     13.41486808    -13.46586309
  H     18.11356470      8.03608893    -15.49159263
  O     15.32639846      8.54891043    -11.89183857
  H     22.60457348     10.02091594    -13.83568857
  H     16.80687151      8.79007035    -15.06236867
  O     17.76860575     12.52763103    -14.91055774
  H     21.61555483      9.95195005    -15.02518759
  H     14.99289081     10.85490778    -17.17802036
  O     20.59522696      7.12016244    -13.95665230
  H     14.87650891      8.27796753    -17.50781935
  H     14.28455712     10.69527244    -18.53900482
  O     15.04218253      9.02709941    -14.58957369
  H     14.72988842      7.97154174    -16.02997735
  H     17.42402231     10.60736863    -10.83696095
  O     19.04712954      6.57287662    -16.09941992
  H     14.39631237     10.13570433    -11.50509480
  H     18.22667664     10.07823257    -12.04680539
  O     16.45489104      5.79751136    -15.38222216
  H     14.93096870     11.45219360    -10.91260572
  H     16.77113086     12.81673469     -9.64894951
  O     18.71571557      7.17350242    -11.92173841
  H     16.17165233      8.95808768    -11.65141965
  H     16.61261606     12.79215645    -11.18782917
  O     21.23135163     10.26379115    -16.69953277
  H     15.51310248      7.61936411    -12.07818266
  H     18.62816850      9.87368352    -14.17378035
  O     17.72738942      8.90671130    -15.32986419
  H     18.28688731     12.62291001    -15.71705344
  H     20.00816628     10.33054149    -13.62443756
  O     15.01839069     10.37299643    -18.02170972
  H     18.23750247     11.87221588    -14.37119538
  H     13.83914178     12.13660174    -12.72114679
  O     17.72778488      9.79808754    -11.26489481
  H     19.99931369      7.10927991    -13.19170135
  H     12.92492182     13.22920623    -13.32421109
  O     16.60296891     12.23766758    -10.38748636
  H     21.05527517      7.96515099    -13.93385600
  H     20.01058455      7.98519240    -19.18949525
  O     19.06051812     10.50381527    -13.57448161
  H     15.02545748      9.96931662    -14.79663943
  H     19.08603366      8.83199628    -18.28535242
  O     13.75993621     12.78544670    -13.44438627
  H     15.06012285      8.92059454    -13.63025364
  H     16.08021876     11.95135816    -15.36622489
  O     19.88274663      8.27669843    -18.28965580
  H     19.67823102      6.66856793    -15.36551272
  H     14.59940746     12.09972995    -14.91678893
  O     15.17677251     11.66130417    -15.55608577
  H     19.43291380      6.99381969    -16.87389350
  H     18.67161912     11.49910676    -17.60115429
  O     19.22511830     12.25465580    -17.33912842
  H     17.36205860      5.88244935    -15.70394971
  H     19.30042624     12.82202623    -18.10276920
          69
 Energy    -248.31765749640493     
  O     16.76151993     11.36965491    -11.81159138
  H     17.40291619     10.67913849    -12.02098068
  H     13.43021785     11.72946098     -9.97122048
  O     16.60083783      8.61827568     -8.28099986
  H     16.64818810     11.35973182    -10.85427465
  H     14.39604169     10.11905993    -14.40162405
  O     15.90468063      5.49403360    -11.40943314
  H     16.65115208      9.56972952     -8.44137985
  H     14.79353396      8.66388294    -14.12133429
  O     12.38074239      4.56321236    -10.54677299
  H     15.65307555      8.42586462     -8.27919385
  H     18.67316863      6.97129361    -10.11810355
  O     18.34197925      5.12467445    -10.19601758
  H     15.32675622      5.01106096    -12.01734923
  H     17.94317753      8.16949310     -9.46564754
  O     16.85282175      5.74806758     -7.81045753
  H     15.40677481      5.60678063    -10.58854209
  H     14.08075903      6.45593765     -8.80427063
  O     18.43750779      9.19950027    -12.44321243
  H     11.80021004      3.97526683    -10.07044015
  H     15.20225987      5.44206935     -8.49296351
  O     16.38187180     11.35286418     -8.96758590
  H     13.08093398      4.83184215     -9.92667429
  H     12.10313187     11.30775448    -12.05543162
  O     10.42205902      9.23612949    -10.25685097
  H     18.79602220      4.33757868    -10.48473285
  H     13.57353675     11.66033850    -12.45191499
  O     13.93323825      8.80513045    -11.17831696
  H     17.52150088      5.18332607    -10.71485985
  H     12.38838304      8.84810942    -14.23925385
  O     11.75149207      7.14112702    -11.61179160
  H     17.48662642      5.46250659     -8.47963797
  H     11.50190970      8.02839449    -13.26239232
  O     13.70107309     11.70993108     -9.04215437
  H     16.90508189      6.71209435     -7.79066190
  H     10.75723593     10.06933703    -13.19555556
  O     14.14041781      9.20649320    -14.58156850
  H     18.57760960      8.76204146    -11.58282496
  H      9.73885408     11.23573678    -13.14347124
  O     18.63449255      7.93489414    -10.09951243
  H     19.27282470      9.18979137    -12.90139467
  H     11.08625781     10.06165952     -7.27825546
  O     14.39250432      5.56155604     -9.00913315
  H     15.41622792     11.48294286     -8.95075462
  H     11.21572265      9.69660353     -8.77562302
  O     13.00131650     11.40818995    -11.71559192
  H     16.76261915     12.08480173     -8.48827284
  H     13.29816675      4.30017667    -12.15858020
  O     11.47391548      8.70166650    -13.95394142
  H     10.75906852      8.42309886    -10.65602367
  H     13.45958771      4.76449985    -13.61358045
  O     10.43691747     10.81350131    -12.65166278
  H     10.29527889      9.84644529    -10.99258803
  H     15.16682634     12.59863718    -14.22495800
  O     11.72216852      9.92162294     -7.97425478
  H     14.67688181      8.59731990    -11.75719794
  H     15.60147235     11.70585517    -13.03728566
  O     13.91720340      4.31669707    -12.90362412
  H     13.62186898      9.69402626    -11.39137001
  H     13.13022939      8.71005271     -8.17331738
  O     14.90034430     11.84920836    -13.69979756
  H     12.56140835      7.65628254    -11.47140641
  H     13.92381960      8.45954290     -9.47658383
  O     13.84895630      8.18879010     -8.54625381
  H     11.89979080      6.26261087    -11.24840945
  H     16.02687635      7.06011274    -12.38756633
  O     15.96698773      7.90601367    -12.85029054
  H     13.03468734     11.18327668     -8.58699969
  H     16.83015707      8.33243744    -12.78344591
          69
 Energy    -248.31764361111826     
  O      2.12386889     -0.90408855      1.32041121
  H      2.06136082      0.05233051      1.47240833
  H      6.61719474     -1.95180350     -2.35832915
  O      8.59353677      2.92255732      1.98543282
  H      1.22823137     -1.23413104      1.29721556
  H      5.07938028     -0.97927711     -5.68996199
  O      1.98190593      1.81767011      1.83460497
  H      9.37732367      2.90473249      2.52827786
  H      5.58222041     -1.08067690     -4.24035929
  O      5.61316923     -3.43439530      1.50281486
  H      8.16865468      2.05226196      2.07445326
  H      5.25655768      5.24660871     -0.96209387
  O      6.08198181      2.01168623     -4.04276263
  H      2.74758120      2.01489896      2.40863229
  H      4.73058885      4.00095495     -0.20664264
  O      8.33205452     -1.42126111     -1.63347135
  H      1.26087153      2.35911269      2.14386203
  H      5.05427022      6.66870801     -3.18709525
  O      3.62413713      2.56989041     -0.35851133
  H      5.82101950     -4.36442345      1.51079282
  H      5.95136532      5.41789895     -3.03124832
  O      7.49390344      1.15227610     -1.87024194
  H      6.45453796     -2.95586596      1.38614948
  H      5.11388023     -0.25901961     -0.16869236
  O      7.36753850      4.44082990     -3.37571821
  H      5.89545336      1.18021276     -4.50044331
  H      6.16387756      0.75888805     -0.72188893
  O      4.10595440      2.33695460      3.34701099
  H      5.23381329      2.39153923     -3.76715427
  H      4.61477822     -2.42336849      2.72114511
  O      7.19936317      0.57290569      2.16972874
  H      8.11644858     -0.47909243     -1.74725531
  H      3.37900609     -1.50175184      2.64997312
  O      5.73639229     -2.03380563     -2.74240944
  H      9.10189409     -1.59161950     -2.17087444
  H      8.29864980      3.43204729      0.20526970
  O      5.56154746     -0.50171112     -5.02043357
  H      4.29173078      1.87769489     -0.23644688
  H      7.04114113      3.97885252     -0.50321107
  O      5.38955060      4.70966872     -0.17139658
  H      2.95055973      2.40988590      0.30976107
  H      7.75104572     -1.10423490      1.50931035
  O      5.12281783      5.83443021     -2.73182728
  H      7.74779188      1.97659584     -1.43355942
  H      8.06947890     -1.81815517      0.17229347
  O      5.51545438      0.60655240     -0.02020822
  H      7.01099982      1.39244415     -2.67515128
  H      4.10536967      4.19307120     -3.02501544
  O      4.09624114     -1.78531391      3.22843065
  H      7.03165928      3.61281469     -3.74814623
  H      3.62051437      2.98952844     -2.19328090
  O      7.91345584      3.58990973     -0.66503851
  H      7.77624771      4.21065338     -2.53269192
  H      4.66768878     -2.47131557      0.23995491
  O      7.83127104     -1.97306602      1.09538592
  H      4.75611316      3.00931341      3.09476571
  H      3.42600784     -1.55040509      0.11010524
  O      3.82165620      3.27350216     -3.09457264
  H      4.59110928      1.63772085      3.79710156
  H      5.78100345      4.50937221      1.64668437
  O      4.22331316     -1.84429932     -0.34748295
  H      6.71027887      0.43675106      2.99125859
  H      6.91766573      3.84107188      2.43701290
  O      6.01169743      4.15801384      2.51730701
  H      6.54613077      0.64170170      1.45627010
  H      5.02798127     -0.57795605      4.03980496
  O      5.57873348      0.13599518      4.40885563
  H      5.11641368     -2.01138336     -2.00339401
  H      5.71309913     -0.06538262      5.33077172
          69
 Energy    -248.31763019220566     
  O     13.10205395     13.50681515     -9.49635684
  H     13.43112342     14.22538890    -10.06693149
  H     12.06151624     15.00777118    -13.84613030
  O     15.56920309     12.80866968    -17.05194635
  H     12.66180879     13.92298227     -8.75995640
  H     19.02065891     11.59284474    -11.89873450
  O     16.17143287      8.39139555    -11.39878208
  H     15.45765494     13.07040001    -17.96179376
  H     19.60448434     12.84085366    -12.55777576
  O     16.92033299     16.11057083    -11.01721453
  H     15.41139879     13.60157633    -16.50794088
  H     12.62039327     11.89351163    -10.36422703
  O     14.37555523     10.79819875    -15.47759420
  H     15.94365075      7.87279788    -12.17863620
  H     13.29255262     10.50491373    -10.41783592
  O     15.61631549      7.13434257    -13.89684209
  H     16.81002501      9.05313569    -11.70052662
  H     17.24613966     12.24143602    -16.34765409
  O     16.00991834     12.57023173    -12.33801515
  H     17.33455172     15.35696399    -10.55569062
  H     17.78266293     10.97742686    -15.66056369
  O     16.81380639      9.45890337    -15.01803745
  H     17.26809955     16.90359277    -10.61927773
  H     12.63242606      8.61114391    -13.85377604
  O     19.47163040     13.57603139    -14.33624049
  H     14.01040834     11.28416569    -14.72487895
  H     13.54844324      9.17002783    -14.97244355
  O     13.50034969     12.19221572    -13.22680422
  H     14.69662759     11.45773701    -16.10488850
  H     14.64605219      9.12140228     -8.80519303
  O     15.18030802     14.92268156    -15.43336226
  H     14.74110408      7.51121538    -14.10438870
  H     15.21291049      9.17185445    -10.24203529
  O     12.97959796     14.84626653    -13.64317386
  H     15.59040191      6.21837712    -14.15858550
  H     17.29492398     13.33156384     -9.57323824
  O     19.46737702     12.42623412    -11.69816531
  H     15.97276985     12.63338862    -11.37477874
  H     18.56665555     13.40552915    -10.46173927
  O     12.58957964     11.03983553    -10.81386878
  H     16.43575801     13.36193586    -12.69008368
  H     17.11853144     11.16166604    -12.47938400
  O     18.01737637     11.88477300    -15.89026230
  H     15.97903238      9.92937705    -15.16077647
  H     17.54843200     10.03365404    -13.42687041
  O     13.29702744      8.36085130    -14.50926911
  H     16.56213647      8.57215324    -14.73331510
  H     15.04720607     15.70133691    -11.10629714
  O     14.70660327      9.67558540     -9.57862508
  H     18.98512314     12.93875569    -14.89010657
  H     13.81885680     15.35618188    -12.00051602
  O     17.98403456     13.92798760     -9.88991953
  H     20.25591561     13.81583866    -14.82238321
  H     11.73914353      9.80555309    -11.88339150
  O     17.71199272     10.39856547    -12.54754037
  H     13.07838055     11.72608371    -12.49678364
  H     10.51344403      9.03100881    -12.38567908
  O     14.12615559     15.41682643    -11.08784596
  H     14.42502291     12.32485218    -12.95721859
  H     14.84129705     12.78183911     -9.40631032
  O     11.44085787      9.17757306    -12.55728521
  H     14.37704956     15.00595795    -14.90723302
  H     15.49078397     11.38701687     -9.49646048
  O     15.68485724     12.33181413     -9.54090490
  H     15.91220545     14.97509612    -14.80170731
  H     18.02995946     14.54080192    -13.73074510
  O     17.14887453     14.85783294    -13.49150636
  H     13.07807863     13.88494039    -13.52999409
  H     17.20748292     15.40383564    -12.69745696
          69
 Ord_Energy   -248.317444    
 O   -5.99849415       3.59919119       2.15204334    
 H   -5.85654306       3.74812317       1.19863081    
 H   -6.64488888       2.90318322       2.23086119    
 O   -1.21172535       4.97516918      -1.24341154    
 H  -0.430063367       4.60158539     -0.806983352    
 H   -1.10706460       5.93645096      -1.30477703    
 O  -0.608378053       4.81057978       5.90200424    
 H   -1.39550579       5.33933973       5.72263050    
 H  -0.634842694       4.08531904       5.26220274    
 O   -1.24458921       8.39710617       4.06397724    
 H   -1.72055972       7.61537981       4.37447977    
 H  -0.479241252       8.53029060       4.63946581    
 O   -3.16314840       3.15920234      -1.69328070    
 H   -3.11421204       2.78331351      -2.56836534    
 H   -2.45479679       3.82443428      -1.63384867    
 O   -2.42634988       5.66336393       1.16523409    
 H   -1.77541113       6.31198215       1.46302760    
 H   -2.07543874       5.31465530      0.335262239    
 O  -0.261809409       7.30836487       1.73454940    
 H   0.293475986       6.58393097       2.05245137    
 H  -0.537919462       7.80520153       2.51619220    
 O   -2.71705866       1.91975653      0.821580708    
 H   -3.09059739       2.52190900       1.47182941    
 H   -2.91441727       2.29045415      -4.82555106E-02
 O   -4.72648144       6.84907627      0.147871256    
 H   -4.43978977       7.72809887     -0.124062762    
 H   -3.93998694       6.44272947      0.542795897    
 O   -1.03146911       7.71552229     -0.942129016    
 H  -0.605640173       7.68336678      -7.32914507E-02
 H   -1.81602395       8.26054573     -0.813646376    
 O  -0.146508813       1.42517757       1.50191092    
 H   -1.07066453       1.51440763       1.20629621    
 H    9.15374979E-02  0.508163869       1.39691556    
 O   -2.86454797       6.17273903       4.79047918    
 H   -3.64168525       6.74857092       4.76777887    
 H   -3.08066249       5.41472912       4.23582125    
 O   0.791850924       3.84599876      0.261109948    
 H   0.563323319       2.96931028      0.593046904    
 H    1.08293200       4.34232140       1.03570855    
 O   -3.38079429       9.27874470     -0.174440876    
 H   -3.36213446       9.33633518      0.798138916    
 H   -3.54905272       10.1610146     -0.494569570    
 O   -3.38822460       9.32926655       2.55157471    
 H   -2.56966639       9.18908978       3.04650736    
 H   -4.07059908       8.92864895       3.10117221    
 O   -6.26906776       6.43520451       2.44772983    
 H   -6.32578421       5.47352123       2.44138908    
 H   -5.83422232       6.67917967       1.61834204    
 O   -3.35462880       3.92363524       2.96565104    
 H   -3.04135418       4.56133318       2.29960370    
 H   -4.30194855       3.79723978       2.82834673    
 O   -5.46857452       4.21683073     -0.420452058    
 H   -5.31665707       5.17212868     -0.401053339    
 H   -4.74828005       3.84020495     -0.939275801    
 O  -0.758264899       3.14222288       3.65303874    
 H  -0.475692660       2.46040702       3.03109741    
 H   -1.68757713       3.32768512       3.45815182    
 O    1.84550893       5.85605955       5.47292423    
 H   0.970743001       5.49612665       5.71122503    
 H    2.48728418       5.38521576       5.99817419    
 O   -5.07576847       7.85472298       4.38603687    
 H   -5.71776772       8.26544476       4.95875549    
 H   -5.57325840       7.34301853       3.72245336    
 O    1.07619548       8.55045128       5.53900385    
 H    1.83088446       9.13297939       5.58178806    
 H    1.43054986       7.64874411       5.53909016    
 O    1.08706808       5.11929703       2.80343676    
 H   0.415862620       4.47737074       3.07636952    
 H    1.51537955       5.41049910       3.61601496    
          69
 Energy    -248.31724447460815     
  O     15.04101884      5.57923078    -16.47953121
  H     14.14205295      5.62333402    -16.13075269
  H     18.45110562     11.90288029    -14.11212854
  O     18.06239929      5.42241011    -10.45627433
  H     15.35992019      6.49186479    -16.49906937
  H     16.47337635     11.49455568    -17.28511246
  O     14.99426821     11.27911606     -9.39824842
  H     18.69874275      4.81315629    -10.09021951
  H     17.19087963     11.12378687    -15.96611120
  O     20.10506363      9.18749925    -14.07537524
  H     18.12672659      5.34529042    -11.42562813
  H     15.53521283      8.41270513    -11.99594963
  O     16.22201849      3.90595015    -14.70909884
  H     15.17574775     11.43812725    -10.33768727
  H     16.13533601      9.84642089    -12.11588161
  O     15.26285019      4.80988968    -10.34162442
  H     14.51195518     12.04319473     -9.09277457
  H     11.78822571      5.33925797    -14.94385261
  O     13.99268275      7.52916123    -11.90095528
  H     19.30419025      8.64121936    -14.16023218
  H     13.11807137      5.43173672    -14.16478795
  O     19.60101291     10.28132315    -11.47257705
  H     20.82939064      8.66914787    -14.41572559
  H     15.59377593      9.69018021     -8.76300592
  O     13.95077428      7.04139518     -9.14634777
  H     16.27004377      3.02534088    -15.07175875
  H     16.74049685      8.65489773     -8.90965828
  O     15.74031919      8.25977744    -16.07265801
  H     15.88144534      4.48253424    -15.41599465
  H     14.58724509      4.74087423    -11.97349842
  O     18.14166376      5.28698581    -13.15242894
  H     14.83001599      5.49657924     -9.81874642
  H     14.98463914      4.54162833    -13.45948113
  O     18.55640285     11.42227817    -14.94225661
  H     16.20755708      5.00628526    -10.31484789
  H     18.77181474     11.73033288    -11.94357320
  O     16.40386186     10.94292863    -16.51057643
  H     13.85236598      7.44119533    -10.94962615
  H     18.71340837     13.27651392    -11.96044176
  O     16.35547855      8.90655153    -12.12616874
  H     14.14916130      6.63797408    -12.24381307
  H     18.20320967      7.28682301    -10.17128652
  O     12.63254089      5.78321385    -14.93013038
  H     19.22591566      9.59045461    -10.91117845
  H     17.49813574      8.49183523    -10.83172621
  O     15.87325362      8.79715656     -8.51290103
  H     19.88677371      9.85129266    -12.28811916
  H     16.52777175     12.00917597    -12.19789571
  O     14.30076391      4.90840356    -12.88551095
  H     13.28848243      7.04670265     -8.46142110
  H     15.19081634     11.56869746    -12.90718596
  O     18.30165616     12.49624720    -12.32171403
  H     14.64911303      7.66196380     -8.86709536
  H     13.59130389      8.31683403    -13.50222430
  O     18.14456286      8.24952706    -10.14897504
  H     14.97555366      8.36127568    -15.48758669
  H     13.00024241      7.69364609    -14.76547335
  O     15.66593109     11.59467804    -12.06298407
  H     15.98402845      9.14869774    -16.36057679
  H     15.03118851     11.18382737    -15.19837276
  O     13.44769583      8.48547915    -14.44495673
  H     18.06714354      6.16820827    -13.54331645
  H     13.93124739     10.36238172    -14.49536835
  O     14.40719799     11.20120481    -14.46248770
  H     17.56393961      4.72319623    -13.67980553
  H     17.29202937      8.23985329    -13.44468127
  O     17.74939632      7.83898196    -14.20054628
  H     19.17460366     10.70718954    -14.74890501
  H     17.13836860      7.90637892    -14.94404221
          69
 Energy    -248.31715569587666     
  O     13.31182263     11.61485015     -8.31369584
  H     13.48446749     10.73581399     -8.69995406
  H     10.16659507     13.14530340    -13.31259246
  O     11.33594441     10.95891449    -15.08550960
  H     13.21953372     11.48599064     -7.37326697
  H     13.52267179     13.08797275    -12.30853527
  O     13.62387781      9.23119553     -9.53365715
  H     11.71329446     11.12752663    -15.95832595
  H     13.47951133     14.45201253    -11.58938987
  O     18.38000515     12.58051922    -13.19122495
  H     11.21489758     11.82178282    -14.66048426
  H     11.72969794     14.13001788    -15.39409610
  O     11.41557519     12.06075140    -10.34334211
  H     14.42443959      9.01295082    -10.03297541
  H     12.35447998     13.51448450    -16.66164755
  O     11.53756941      9.50072881    -11.45458676
  H     12.88210873      9.09675358    -10.13438234
  H     15.29742943     11.77340274    -12.37955312
  O     13.24628501      9.60056241    -13.60931330
  H     19.31788330     12.56796010    -13.36722920
  H     14.14963260     11.10230317    -13.22257881
  O     14.90972497     15.42576256    -10.93574393
  H     17.97498829     11.93874807    -13.79636144
  H     12.54082527     11.59400617    -18.37028891
  O      9.49704458      9.69148240    -13.41722471
  H     11.93910618     11.95248303     -9.53941566
  H     13.60180778     11.72579301    -17.25415906
  O     14.87741355     14.05002833    -14.99033826
  H     11.89316996     12.71087911    -10.87773291
  H     16.24133487      9.73402657    -11.09010290
  O     15.28272331     11.96101410    -16.81629414
  H     11.48490051     10.38732164    -11.06600882
  H     15.90622885      8.55572312    -12.02246630
  O     10.92087661     13.41638002    -13.85481864
  H     10.75873644      9.40368397    -12.01531082
  H     15.57279656      7.43243344    -14.30552334
  O     12.91972500     13.75760653    -11.95711340
  H     12.75208251      9.46396080    -12.78815141
  H     14.76391828      8.68347329    -13.89175237
  O     12.37024210     14.29688758    -16.09903036
  H     12.63078978     10.01027018    -14.23228490
  H     16.61117746      9.87479079    -14.49948695
  O     14.65958439     11.91387868    -13.09664136
  H     15.56437018     15.27184977    -11.64073473
  H     16.05005412     11.27315849    -14.23826525
  O     12.64424590     11.69846205    -17.42801544
  H     14.97218334     16.34740942    -10.69985474
  H     16.34553175     12.09521577    -10.49406100
  O     15.86818045      8.84082607    -11.10476476
  H      8.84327635      9.16329932    -13.86870683
  H     17.36687488     11.92745655    -11.68309786
  O     15.66295704      8.32112545    -13.97026152
  H     10.07070746     10.07241719    -14.10199617
  H      9.76011037     12.20327043    -11.34411716
  O     16.78642349     10.81062567    -14.66233297
  H     14.71614125     13.35038801    -14.34313946
  H      9.08960516     11.36293076    -12.44920766
  O     16.62619919     11.51930927    -11.22314530
  H     14.01482594     14.29326120    -15.35873921
  H     16.07031541     14.77488813    -13.77849837
  O      9.14540540     12.25534200    -12.08825384
  H     15.25099041     12.80130252    -16.33660056
  H     17.29003489     14.20317583    -13.03235282
  O     16.61272899     14.88595649    -12.98431514
  H     15.91373330     11.42188437    -16.32878479
  H     14.73672829     12.70065647     -8.97215497
  O     15.52269729     13.11585494     -9.34883008
  H     11.61538422     13.67417055    -13.23293270
  H     15.24952557     13.94664503     -9.75548568
          69
 Energy    -248.31705213000728     
  O     -7.93501354      3.22216617     -0.41133614
  H     -7.12763090      3.52787275     -0.86273187
  H     -4.21732726      0.63916468      3.80030012
  O     -4.58746769      2.03317968     -3.31423411
  H     -8.63682003      3.81207811     -0.67247378
  H      0.09417454      2.01262997      1.66034912
  O     -6.50111240      2.73313287      1.92808447
  H     -4.99270916      1.31447912     -2.79749652
  H     -0.95306984      0.87540678      1.67432695
  O     -3.83355082     -1.28453391      1.46959235
  H     -4.96365338      1.98620460     -4.18982800
  H     -2.62449955      3.82194229      0.09127417
  O     -1.46210797     -0.89233037     -1.77048689
  H     -7.05567130      2.99143340      1.18080916
  H     -1.71387312      2.67831936      0.68210335
  O     -5.60585639      0.15716929     -1.62137821
  H     -6.89015671      1.93217860      2.30396902
  H      0.70316172     -0.91207988      0.88770663
  O     -3.95938201     -2.14374658     -1.15088641
  H     -3.93739921     -1.78970782      0.65062773
  H      1.76584609      0.18406506      0.70985783
  O     -1.89306640      1.76980676     -2.49514409
  H     -4.03713836     -0.36651778      1.22830556
  H      2.38822856      2.71547484      0.64877516
  O     -1.17338558     -0.75158196      1.00515063
  H     -0.54992367     -1.08501168     -2.01905402
  H      1.36327957      2.07389271     -0.31455750
  O      1.34384805     -1.08356717     -2.11283312
  H     -1.65011285      0.00677754     -2.07456006
  H     -7.78303039      0.18929599      0.74378189
  O     -7.37531560      0.22791873      2.71977094
  H     -6.51030772      0.07564361     -1.28918807
  H     -8.06065983      1.29798637     -0.28992185
  O     -4.85526664     -0.07695639      3.71188538
  H     -5.11314163      0.54209352     -0.88015434
  H     -2.40084842      2.07401735      4.76118300
  O     -0.78839165      1.78285902      1.97799779
  H     -3.09877513     -1.83736758     -1.46574420
  H     -2.05374371      1.95179441      3.26584505
  O     -2.25715331      2.94385653     -0.07104346
  H     -4.59758425     -1.48605625     -1.45551636
  H     -3.68513043      1.88624831      0.36223121
  O      1.60839415     -0.75909763      0.58216352
  H     -2.74564488      1.86974972     -2.93359894
  H     -5.08256053      1.80957266      1.04940002
  O      1.62845305      2.14017110      0.62065677
  H     -1.98459572      2.22020464     -1.64025486
  H     -3.94539694      4.93634895      1.25244327
  O     -7.95884271      0.34240043     -0.19161479
  H     -2.02295228     -1.06210138      1.34350586
  H     -3.57191328      6.18461397      0.41325804
  O     -2.79200399      2.03280047      3.89046290
  H     -1.25799159     -0.77368198      0.04103082
  H     -4.93495286      4.46140981     -0.95105813
  O     -4.41063795      1.29268655      0.58946740
  H      1.95879468     -1.70311205     -2.49539127
  H     -5.15132714      3.45544344     -2.12087451
  O     -3.72057101      5.24495860      0.35501049
  H      1.52434241     -1.05968370     -1.15605528
  H     -5.16839686      3.74673188      2.57159588
  O     -5.60355093      4.04669155     -1.50778001
  H     -6.49977844      0.06518904      3.11375908
  H     -3.77906782      3.51101368      3.19423384
  O     -4.31752291      4.17540425      2.74952032
  H     -8.01346321     -0.16570747      3.30913425
  H      1.13337267      0.82416782     -2.16838890
  O      0.90531567      1.74290342     -1.97736304
  H     -4.47576745     -0.68917277      3.06307884
  H      0.00046356      1.85874644     -2.29317171
          69
 Energy    -248.31672108922467     
  O      8.97201407      0.67477373      5.14375648
  H      9.74084865      0.53222426      5.70556068
  H     12.36722993      1.61529304      4.31223696
  O     10.32694656     -3.08611129      4.89856184
  H      8.56207664     -0.18515401      4.96595980
  H      5.96005918      1.29972839      3.18825101
  O      6.91335732      1.14513388      1.52710688
  H     10.72821502     -2.40884179      4.33551401
  H      5.97080384      1.78356424      4.66068000
  O     10.27117989     -2.11932385      7.55469092
  H     10.38829690     -2.79877276      5.81769684
  H      7.49253667      0.55347473      8.29216231
  O      5.90605231     -2.61840324      6.12994390
  H      6.55253716      1.39329737      0.67991550
  H      7.04610941      1.57400486      9.36080636
  O      8.67611206     -4.76616420      3.40201019
  H      6.92668962      0.17087778      1.55330655
  H     11.88782028     -0.57274858      3.53410074
  O      9.42415929      4.17984362      5.68604318
  H     10.68152948     -1.26018975      7.34954559
  H     10.59025746     -0.36399109      2.76163029
  O      7.93065697     -1.70918829      4.46418603
  H     10.74802835     -2.48404078      8.29634324
  H      7.07132739      2.32653955      6.83804923
  O      4.79928765     -2.92768147      2.63488256
  H      5.92888544     -3.45724740      5.64851211
  H      7.80951063      1.86340774      5.58001615
  O     11.29916146      2.91830482      3.86226271
  H      5.21173829     -2.07766228      5.72637961
  H      8.65814282     -2.41449027      1.37899377
  O      6.13885495     -4.80806193      4.36867923
  H      9.33906478     -4.45105582      4.02955953
  H     10.13825871     -2.38172299      1.81687103
  O     12.85722279      0.81334082      4.57024199
  H      8.88630568     -4.29055243      2.58612426
  H      6.95373585     -1.69860164      7.41539859
  O      5.49477423      1.22995498      4.03011269
  H      9.23389786      5.11511149      5.67184936
  H      8.44570091     -1.55308427      7.79784978
  O      7.47074826      1.50262038      8.51001366
  H      8.56748500      3.72292663      5.69978559
  H      3.22049977     -0.74431777      4.85390557
  O     11.17529320     -1.05638849      3.10017376
  H      7.23397358     -2.01310195      5.05822223
  H      4.61126254     -0.20640525      4.45119387
  O      7.18973604      2.54097158      5.90442272
  H      8.67672034     -2.31824721      4.53965796
  H      9.97765285      3.14864783      7.23351143
  O      9.46715633     -2.94243076      1.41555148
  H      5.19471148     -3.63863011      3.15515043
  H      9.24760043      2.18371265      8.19151614
  O      7.57644238     -1.15039210      7.90871744
  H      4.46904502     -2.28707539      3.27728536
  H      7.39988287     -1.55636756      2.76754368
  O      4.12084587     -1.01297738      4.69011292
  H     10.71301724      3.38477607      4.46907697
  H      6.21835620     -2.04185292      1.91478037
  O     10.12411847      2.47957287      7.91294030
  H     10.72455130      2.47118481      3.22439112
  H     10.99355089      1.08987455      7.25268526
  O      7.03811364     -1.53081284      1.86793877
  H      7.04305118     -4.80555151      4.00599479
  H     11.90267526      0.47647065      6.11510770
  O     11.24768107      0.27361543      6.79407356
  H      5.87524063     -5.72279252      4.42616604
  H      8.71074461      1.27130717      2.07080374
  O      9.55484821      1.19312258      2.52834348
  H     13.78255695      1.00367616      4.44085633
  H      9.34039312      1.06163356      3.46702716
          69
 Energy    -248.31670815504137     
  O     16.58305971      9.65791046    -12.00135467
  H     16.76968066     10.55652567    -11.69982837
  H     14.94920364      8.15923090     -6.65482589
  O     17.16331892     12.11776809    -10.82907970
  H     17.41023126      9.15437902    -11.98461168
  H     16.93013883      4.23350590    -13.26826748
  O     13.18675618      5.78465412     -8.00164115
  H     17.42364922     12.96294702    -11.18574905
  H     18.17308616      3.31496184    -13.21249120
  O     14.37744997      8.29055830    -13.00179984
  H     17.89156188     11.81589052    -10.25479287
  H     14.69032091      5.63117045     -8.98892939
  O     18.77136530      8.00529570    -11.70828911
  H     12.52901675      6.00617577     -8.67270581
  H     15.48213074      6.77907678     -9.66698101
  O     20.47171610      8.80070145     -9.58944912
  H     13.34374660      6.58555458     -7.48663901
  H     18.20810119      5.84283922    -13.84248921
  O     17.95353999      5.60467487    -10.51624375
  H     14.69453555      7.94242086    -13.84509836
  H     18.51217940      7.29057354    -13.43278387
  O     11.57541220      6.29661114    -10.34957140
  H     15.10693544      8.82812126    -12.66090997
  H     17.60538897     11.62179842     -5.99853851
  O     15.57961915     11.96202531     -8.41139282
  H     19.44533290      8.35684953    -11.11579203
  H     16.76127285     11.40071985     -7.27827015
  O     12.42667110      8.96386559    -10.92847679
  H     18.44810605      7.19145284    -11.29296077
  H     15.75601093      7.31705535    -16.13383299
  O     13.58425053     10.03962016     -8.70742091
  H     21.40304018      8.63625113     -9.46894318
  H     16.60988368      7.05070742    -14.87254139
  O     13.98143369      8.15603410     -6.57701818
  H     19.99675610      8.14675197     -9.04447710
  H     14.97158841      9.06238814     -9.37828992
  O     17.84991045      4.17374708    -12.95325699
  H     17.99364679      5.02481266    -11.28646383
  H     16.09405081      8.91857446    -10.43848006
  O     15.37873010      5.81454326     -9.64297529
  H     17.04282640      5.56322586    -10.18696558
  H     19.57634087     10.39625877     -9.27271002
  O     18.19254430      6.75187022    -14.16746584
  H     10.78696424      5.83112796    -10.61785313
  H     18.63641978     11.09262446     -8.25615294
  O     17.47885509     11.02726308     -6.73291064
  H     12.28482687      6.01369904    -10.95195974
  H     14.38433884      5.69623307    -11.13008419
  O     15.69642615      7.09621259    -15.20814936
  H     15.96850715     12.07828550     -9.28586211
  H     13.98310825      6.66562938    -12.27430768
  O     15.73636023      8.52936099     -9.63266571
  H     14.80132381     11.39865168     -8.52406895
  H     18.66639711      6.37011646     -8.91747391
  O     19.03582290     11.18279505     -9.12984047
  H     12.02571668      8.10743705    -10.73484178
  H     18.25557993      7.29059353     -7.73336047
  O     13.79278744      5.79668197    -11.89071229
  H     12.98636301      8.83281263    -11.70294545
  H     17.05628006      9.22450664     -6.84729997
  O     19.00936946      6.97111659     -8.24288629
  H     13.48757219      9.42968205     -7.96652887
  H     16.49214901      8.41417710     -8.03596307
  O     16.73596709      8.34779617     -7.09829044
  H     13.05380801      9.72031447     -9.45490424
  H     14.70372903      4.82617151    -13.20364690
  O     15.33073666      4.57260862    -13.89402598
  H     13.78448925      8.23759259     -5.64642905
  H     15.38286723      5.33792055    -14.48002254
          69
 Energy    -248.31649492707879     
  O     18.13127554      8.64474361    -10.29653255
  H     17.25165883      9.04327252    -10.36548430
  H     18.77676055      9.74093063     -8.97962382
  O     14.50509631      8.02783932     -8.79267546
  H     18.03159125      7.70432869    -10.11355279
  H     18.85870479      9.17732071    -11.77215678
  O     20.52225037      3.63381142    -12.61755927
  H     15.21834130      7.56293113     -8.32711796
  H     19.27472275     10.44538633    -12.55290273
  O     21.35215507      7.81143388    -12.20204129
  H     13.82438881      8.19978506     -8.14563663
  H     21.06558580      5.10609643    -13.75196667
  O     18.73299919      6.17002048    -15.54369800
  H     19.62341932      3.68794664    -12.98943679
  H     21.31600261      6.62153478    -13.61478787
  O     22.74184982      8.92483800    -10.02833353
  H     20.79223812      2.72169730    -12.67832796
  H     18.21928763      4.63206020    -14.46636798
  O     16.58258440      6.62566497     -7.58055076
  H     21.92313863      8.22973678    -11.54539611
  H     17.42587497      4.44225260    -13.16500111
  O     21.37801856      7.21556093     -8.45926910
  H     20.65943808      8.44860616    -12.42381075
  H     15.18593304      9.36018784     -9.90783138
  O     19.14339431      8.02873412     -6.97928057
  H     18.86887158      6.12242390    -16.48616486
  H     15.35539170      9.68682660    -11.42228477
  O     17.85538445      5.88797027     -9.84691221
  H     19.61525486      6.13224839    -15.13081530
  H     15.71794914      8.61986562    -13.44823574
  O     17.33600905     12.14896795     -9.86688487
  H     23.66509051      8.91171102     -9.79096086
  H     14.44771531      9.42102876    -13.81373108
  O     18.93593290     10.45432120     -8.34169871
  H     22.28114372      8.34393584     -9.39457935
  H     20.47185088     11.02279470     -9.24476095
  O     19.17417458      9.48956960    -12.63715606
  H     17.05230931      6.26936570     -8.35596060
  H     21.72604131     10.51045018     -9.98384907
  O     21.10049635      5.92899074    -14.25445007
  H     16.55338027      5.92415631     -6.93367270
  H     14.13782946      7.15402523    -10.49837092
  O     18.07811489      4.01595077    -13.73744156
  H     20.62893673      7.44607256     -7.89220454
  H     14.18337844      7.56098684    -11.98585236
  O     15.67461715      9.90620045    -10.53757473
  H     21.07934529      6.52053906     -9.05731327
  H     17.73068188      7.33695630    -14.52939535
  O     14.89537919      8.99212676    -13.08863515
  H     19.08010839      8.96074396     -7.23354913
  H     17.97033798      8.48025267    -13.50277482
  O     21.10649558     11.24761010     -9.93915541
  H     18.26076178      7.66520842     -7.09324028
  H     19.78087285     12.98769803    -12.23305564
  O     14.08490267      6.80324148    -11.39510334
  H     18.78551366      5.72523560    -10.05768692
  H     20.11388582     11.88343363    -11.20231935
  O     17.29738593      7.88244186    -13.86046459
  H     17.34521189      5.73516360    -10.65501102
  H     16.79997910      6.46583699    -12.73817445
  O     19.46832049     12.15908103    -11.88019751
  H     17.95245242     12.21748966    -10.60595183
  H     15.57486520      5.94657701    -11.93679328
  O     16.47676387      5.72454306    -12.20861414
  H     16.67338229     11.49718898    -10.12944899
  H     20.72825194      6.39688577    -11.18170743
  O     20.45929380      5.63373139    -10.65055991
  H     18.36314838     11.17457475     -8.63904001
  H     20.54078757      4.86171146    -11.22403617
          69
 Energy    -248.31632249922484     
  O     15.60046344     10.39845809    -16.60451282
  H     14.79516948     10.70008564    -16.17024868
  H     20.21453734     10.22539091    -17.82809617
  O     16.35041199      5.14758096    -13.66061099
  H     16.28327388     11.08064676    -16.52130354
  H     16.35073525      8.50541007    -13.98709550
  O     17.25845885     13.78825489    -11.16982220
  H     16.83203764      5.30553650    -14.48373872
  H     16.43740155      9.19929019    -15.38256747
  O     19.60142821      9.07805740    -14.53304585
  H     16.98008095      5.32736416    -12.95274622
  H     12.30647071     11.00388946    -15.51370091
  O     16.82183186     10.26112403     -8.84275470
  H     17.50017137     14.69452202    -11.00108915
  H     13.14865088      9.70539136    -15.42630481
  O     15.31811091      8.39481669    -12.44980336
  H     17.90283553     13.23031535    -10.69708210
  H     17.26795494      8.89131060    -10.01728642
  O     17.26228483     11.98836073    -13.35122905
  H     19.82114175      9.43843936    -15.39964064
  H     16.65735499      8.31884013    -11.32769139
  O     20.00447238      6.31758827    -14.03588972
  H     18.64707443      8.90368450    -14.56969164
  H     13.95228720      7.86547306    -16.58868694
  O     13.91782176      6.29674854    -13.66306179
  H     16.50585417     10.22695034     -7.94376159
  H     13.56322816      7.36847484    -15.16909555
  O     17.87352935      6.16036451    -15.79151030
  H     16.20050102     10.82679796     -9.33612138
  H     19.13471586     11.41006925    -10.70213773
  O     18.34170618      5.88340689    -11.70282363
  H     14.69481469      7.73635551    -12.77903369
  H     18.29772097     11.41506678     -9.41577395
  O     19.56078854     10.05173859    -17.15579639
  H     14.94924561      9.28181404    -12.56821418
  H     19.43176136      9.84193933    -12.92186401
  O     16.88954907      8.59564335    -14.78150360
  H     17.24917137     12.73740782    -12.74194110
  H     18.55603752      9.50539974    -11.67863551
  O     13.15199042     10.66189564    -15.23651332
  H     17.86646641     11.34024290    -12.96230846
  H     14.88224174     11.61259627    -11.14325862
  O     17.45462301      8.32129839    -10.77353565
  H     19.53850939      6.17166847    -13.20374145
  H     15.81620246     12.67721973    -10.54601312
  O     13.36215218      8.02842098    -15.84393759
  H     20.04962941      7.27630094    -14.15374851
  H     17.09808450      7.96572467    -18.15464794
  O     18.87219763     11.96988927     -9.95682930
  H     14.77212453      5.82701378    -13.68082775
  H     18.12770342      7.17604409    -17.34732766
  O     19.04585600     10.21400450    -12.11699196
  H     13.26800399      5.67309137    -13.35028708
  H     14.09503424     11.00781454    -13.68897398
  O     15.25236029     11.92980405    -10.30943180
  H     17.45175544      6.98065168    -15.49176014
  H     15.53844932     11.35358854    -13.18376241
  O     18.04130297      7.91655068    -17.96344864
  H     18.69937167      6.08765945    -15.28867961
  H     18.41736030     11.44483846    -16.42431793
  O     14.67063335     11.01609342    -12.91488959
  H     18.66184589      5.33128483    -10.99278353
  H     17.67805287     12.06568082    -15.19581340
  O     17.69715399     12.03166683    -16.16188026
  H     18.08083114      6.72724271    -11.30037704
  H     15.33114001      9.06035099    -17.68408613
  O     15.17064439      8.20965224    -18.13172673
  H     19.01959718      9.31090403    -17.48202380
  H     14.75939729      8.41420397    -18.96872696
          69
 Energy    -248.31631911970879     
  O     -7.58983826     -3.26642900      5.73752070
  H     -6.95360129     -2.72265057      6.21421202
  H     -3.01871858      1.62500065      3.31953643
  O     -8.82176497     -2.59136634      2.27756505
  H     -8.41875653     -2.76520028      5.75066461
  H     -6.39175901     -1.15539840      3.09749249
  O     -7.12745220     -4.51833602      3.41834379
  H     -8.34620255     -1.86787546      2.71562693
  H     -7.26619914      0.03728005      2.55826538
  O     -4.92604874      0.79560890      0.87339362
  H     -8.37588691     -3.39820957      2.56175278
  H     -5.41193568     -1.41725405      7.80645814
  O     -7.57602248      0.51873291      5.72552595
  H     -7.28592464     -4.11446681      4.29387526
  H     -5.16485627     -1.32795068      6.28058902
  O     -5.29255906      5.30012714      1.77471364
  H     -7.09870749     -5.46143047      3.54966696
  H     -1.11700786      3.40918754      3.28728086
  O     -9.74296035     -1.52182745      5.71933072
  H     -4.83363100     -0.09026943      0.50232453
  H     -2.61202984      3.74147508      3.52336423
  O     -4.06191744     -1.34463221      4.94368512
  H     -5.87168666      0.99313330      0.87436815
  H     -8.78862821      1.88000336      4.95595027
  O     -3.68369930      3.36544815      0.73404417
  H     -7.06539321     -0.03701382      6.32874039
  H     -8.65505935      2.93412338      3.83932866
  O    -11.18953818     -1.57714808      3.22649694
  H     -7.45916737      0.11881621      4.84621066
  H    -10.65249044      0.10192291      2.49458273
  O     -5.08770824     -1.89487565     -0.01997846
  H     -4.73052553      4.64879283      1.31770844
  H    -10.02098595      1.43213039      2.96329253
  O     -3.72463955      0.97379804      3.42028230
  H     -5.31683131      6.07984882      1.22702603
  H     -5.08919429     -2.46766446      1.76860777
  O     -7.15589502     -0.59332560      3.28057507
  H    -10.32365008     -1.44259437      4.95336976
  H     -5.80189857     -3.32465275      2.86851281
  O     -5.85600915     -1.32780238      6.96764860
  H     -9.25125321     -0.69662189      5.78036653
  H     -7.85686457     -0.45360590      0.14185113
  O     -2.00169710      3.15270910      3.04304870
  H     -3.81527595     -0.51872148      4.50725193
  H     -8.22223327     -1.87453071      0.61632237
  O     -9.29820578      2.40374391      4.32717538
  H     -4.34517151     -1.92455056      4.22432963
  H     -4.43436436      5.01838816      3.48948159
  O    -10.18268067      0.88145888      2.18148015
  H     -4.06788365      2.48476362      0.64108065
  H     -4.54354500      3.99679884      4.64243821
  O     -5.22013500     -2.56744358      2.71913786
  H     -2.98336985      3.28311810      1.39392523
  H     -4.96835043      1.84837614      4.41949127
  O     -7.74291934     -1.38759275     -0.06725405
  H    -10.44208735     -2.05470786      2.82872573
  H     -6.23515925      1.83646919      5.31940457
  O     -3.94623609      4.63389667      4.22866460
  H    -11.97759354     -2.07377911      3.02065042
  H     -8.64543142      1.08301165      1.42067293
  O     -5.61230674      2.41641672      4.86796625
  H     -4.76751896     -2.30080951     -0.82091411
  H     -7.47798180      2.06591784      1.64637265
  O     -7.70923224      1.23552558      1.20295661
  H     -6.04973115     -1.77716381     -0.12411713
  H     -6.62041731      4.15527795      2.38004083
  O     -7.10572753      3.41147603      2.75572248
  H     -4.13151260      0.86140064      2.55078088
  H     -6.57082620      3.07992898      3.49207834
          69
 Energy    -248.31628066012848     
  O     11.08607875     10.52926483    -11.83004914
  H     10.59367523     10.06221095    -12.51719320
  H     16.18512247     11.84094468    -15.03971398
  O     13.78524970      7.66800419    -15.29451718
  H     11.76600033     11.03596964    -12.29110887
  H     16.45688012      9.53678831    -14.43431614
  O     17.30126336     10.89769480    -10.47328656
  H     14.10832066      7.20144146    -16.07485653
  H     15.52180897      9.42914535    -13.21458295
  O     18.29154234      8.93766237    -17.04416395
  H     14.52809283      8.17399995    -14.92479327
  H     11.40975435      9.31335580    -10.61525399
  O     12.07098687      9.75819478    -15.43969958
  H     17.30029843     11.74720565    -10.04042936
  H     11.06348779      8.66367834     -9.25260213
  O     13.98074942      6.26001869    -12.90214161
  H     16.45209657     10.82092165    -10.94356427
  H     18.11547816      7.43428851    -10.87131144
  O     14.96190781     10.36103734    -11.73246450
  H     17.42082699      9.06874197    -17.46284353
  H     19.45153017      6.68992839    -11.10389318
  O     15.79404926      9.15452051    -18.06669635
  H     18.94270507      9.00113998    -17.73827869
  H     11.27951667      7.31796974    -11.50237499
  O     17.72504186     10.70728609    -14.93982301
  H     11.24262159      9.50422091    -15.01664245
  H     12.08610586      6.49659339    -12.52659421
  O     14.97742318      6.47646247    -17.51030750
  H     12.63716991      8.96974172    -15.40973438
  H     18.45639491     10.28814748    -11.85675388
  O     17.31553644      6.35658449    -16.17805027
  H     14.92068356      6.04513343    -12.96440351
  H     18.94881342      8.92278236    -12.35431443
  O     15.30153824     12.22718438    -15.09514868
  H     13.77745310      6.69645698    -13.74286662
  H     17.49336634      6.53378112    -12.78432524
  O     15.80051982      8.96726546    -14.01428058
  H     14.27230557     10.78163875    -12.26323603
  H     16.46212575      7.34533151    -13.59541849
  O     11.57154353      8.53716355    -10.04910659
  H     14.60650073      9.55747122    -11.32692599
  H     16.00467011      7.99532173     -9.97509342
  O     18.74026155      7.13510378    -11.55652799
  H     15.10424468      9.77907737    -17.81291506
  H     17.08834175      9.09219321     -9.85533949
  O     11.22100339      6.89145007    -12.36699197
  H     15.40912607      8.27174035    -18.00165237
  H     13.31387780     11.57887607    -17.84173246
  O     18.89617578      9.85351600    -12.59864950
  H     18.23638317     10.47106829    -14.14944241
  H     13.10117918     10.59680548    -16.67147369
  O     16.76500814      6.44219723    -13.41074815
  H     18.06123965     10.17772655    -15.67398156
  H     14.14130660      7.32965319    -11.40156363
  O     16.94201550      8.13961668     -9.79247985
  H     14.82545436      5.70752029    -18.05193603
  H     13.33859697      8.09063029    -10.30687179
  O     13.77623051     10.99504704    -17.24400551
  H     15.83233587      6.34313012    -17.05957590
  H     12.77716200     10.88783825    -14.13220491
  O     14.22720839      7.93364443    -10.65114682
  H     17.21830146      6.27989631    -15.21963181
  H     13.92851505     11.89616466    -13.96022889
  O     13.18375597     11.48730961    -13.49249787
  H     17.77955448      7.18420629    -16.35301130
  H      9.06479656      8.55896203    -13.99100666
  O      9.97108671      8.81491335    -13.84186915
  H     14.90798694     11.87474142    -15.90222412
  H     10.40135552      8.06933444    -13.38591473
          69
 Energy    -248.31597064550382     
  O     15.19808185     12.25256317    -12.28488020
  H     15.49157604     12.26621642    -13.20345223
  H     14.98124231      7.15541380    -17.13687082
  O     14.22799761      6.37714528    -14.25998433
  H     15.97697248     12.02677191    -11.76213350
  H     18.65375595     10.11612075    -13.79072822
  O     16.93682480      6.34017195    -10.73971689
  H     13.50060805      6.70458564    -13.71119560
  H     17.76524268     11.33965281    -14.14262136
  O     18.59829924      8.25967883    -13.98400752
  H     14.08952792      6.68866559    -15.16230002
  H     15.38560221      7.69994713    -13.78171142
  O     14.38600232     10.01633859    -15.50987250
  H     16.65701255      7.26689061    -10.72241064
  H     15.41534713      9.17372210    -14.20505957
  O     13.01881930      6.48831936     -9.06130843
  H     16.45713710      5.88437756    -10.03761870
  H     13.62097135     11.74618940    -11.78305783
  O     12.31002669      7.36901439    -12.54527931
  H     17.64047178      8.33453645    -13.85718850
  H     12.25573390     12.16942857    -11.19014034
  O     16.11664091      8.96712921    -10.94786379
  H     18.96348323      7.83074835    -13.19533310
  H     14.66807573      4.05193138    -10.41082107
  O     16.48838416      6.42159826    -17.51493898
  H     14.33150154      9.24076980    -16.08097802
  H     14.92501951      3.96707309    -11.92671183
  O     11.82373549      4.97048539    -11.19558615
  H     13.57421633     10.03464689    -14.97715519
  H     12.09273077      8.99306171    -13.51691323
  O     17.81725618      5.81468579    -15.22823088
  H     12.47621063      5.99515440     -9.68881927
  H     12.29872219     10.46158764    -13.10075162
  O     14.13204217      7.53845321    -16.85092163
  H     13.09512674      7.38361358     -9.41786155
  H     20.00591206      6.05988195    -11.76228649
  O     18.46385027     11.03376756    -13.55214544
  H     12.71475322      7.88463568    -11.83245649
  H     18.63799422      6.59843199    -11.31610717
  O     15.84348801      8.53546633    -13.62308272
  H     12.00292669      6.54587847    -12.14405862
  H     15.47242271      5.32888771    -13.50148502
  O     12.74155967     11.41870760    -11.52075929
  H     15.99709676      8.87083440    -11.90668063
  H     16.46676118      5.41336462    -12.29801540
  O     14.26698859      3.78050161    -11.24580844
  H     16.66412875      9.75030060    -10.81886776
  H     15.41872997      4.70144580     -7.99373101
  O     12.21859885      9.88316877    -13.86951795
  H     17.08640098      6.26156169    -18.23944670
  H     14.49572742      5.58728269     -8.86517418
  O     19.46378546      6.84582948    -11.76050487
  H     16.97069423      6.16514820    -16.70964426
  H     16.18034909     12.68766469    -15.65828367
  O     16.19895016      4.86928281    -13.05202964
  H     12.67077547      4.49626739    -11.27855811
  H     15.51800733     11.34551241    -15.27575223
  O     15.29850556      5.03531574     -8.87838138
  H     11.13831116      4.30822541    -11.18106334
  H     13.08779969      9.77521343    -10.70322986
  O     16.15378443     12.01835192    -14.97883119
  H     17.37681282      5.37316885    -14.49207802
  H     14.36762148      8.92282632    -10.54310876
  O     13.40290441      8.89493022    -10.46445095
  H     18.21995693      6.61557424    -14.86959067
  H     18.24692829     11.76280214    -10.46711035
  O     17.59000825     11.34387020    -11.01569708
  H     13.49164368      7.32793054    -17.52556857
  H     17.98711064     11.23754868    -11.89990386
          69
 Energy    -248.31593803263036     
  O     15.11363151      6.07207597    -13.90487316
  H     14.52037684      6.15763945    -13.14671088
  H     19.78730734      7.54565562    -14.61820624
  O     18.25580511      8.97414116    -11.89134353
  H     15.25135881      6.98011062    -14.22063650
  H     15.83366891     11.47157461    -16.06988620
  O     18.96639102     10.76994503    -16.06181510
  H     18.23656217      8.93668107    -10.92721857
  H     16.33653389     11.51525709    -14.59454031
  O     11.50547689      7.33125530    -15.94577304
  H     17.98138269      8.10033874    -12.20576480
  H     14.63765625      8.90829106    -15.15065425
  O     15.19284004      8.68281179     -8.99947294
  H     19.47016483     11.36906840    -16.60620203
  H     16.13643336      8.54810984    -15.48112061
  O     13.55477448      6.80506460    -11.71308437
  H     18.12836749     11.21845145    -15.85179622
  H     12.30256955     10.16605897    -13.95007306
  O     16.20962594     10.50296159    -12.98118583
  H     11.39499503      7.28659860    -14.97866383
  H     11.37385565     11.07475593    -13.11037897
  O     15.34772273      8.21401391    -18.02386460
  H     10.67790335      7.05699167    -16.33136641
  H     17.51451193      5.95487021    -10.99380528
  O     14.71379323      5.86566953     -9.34594582
  H     14.75112553      9.08793604     -9.75788294
  H     17.67112133      6.75166706     -9.68127920
  O     17.68482565      8.29699638    -16.52473604
  H     14.91528448      7.75851059     -8.99118256
  H     11.99798617      7.09294682    -12.68761243
  O     14.04444631      6.20026040    -16.59058813
  H     13.85145572      6.38268785    -10.89777053
  H     11.33423654      8.42447310    -13.07273045
  O     19.44384352      6.70136469    -14.96509893
  H     13.79824288      7.73928776    -11.64157190
  H     19.55541634      9.21289354    -13.20149974
  O     16.53197495     11.80579044    -15.49593720
  H     15.93889351      9.81652782    -13.61440034
  H     19.76664563      9.80022103    -14.62173399
  O     15.48127414      8.62908085    -14.77541156
  H     16.98901539     10.14014730    -12.53920520
  H     18.28737048      6.33700693    -13.53097712
  O     11.90951802     10.28666799    -13.06849041
  H     16.26113935      8.15066429    -17.71426801
  H     16.78678737      6.15989424    -13.17781217
  O     17.33378510      5.92380369    -10.04456802
  H     14.87882555      7.47086702    -17.61645602
  H     16.93648077      8.70256031     -9.04767907
  O     11.30963711      7.47616905    -13.24818627
  H     14.54359886      5.16105027     -8.72716691
  H     18.29384545      8.93121240     -8.33955244
  O     20.09794546      9.14115742    -13.99936612
  H     15.65343321      5.80109426     -9.59573104
  H     14.52276110     11.26033818    -18.27230541
  O     17.65396273      6.36956409    -12.80415554
  H     18.23164905      7.63707432    -16.08181887
  H     14.87733898      9.84803196    -17.74595351
  O     17.90079166      8.59970997     -9.14202736
  H     18.15983550      9.13588295    -16.46111072
  H     13.29211766      9.89039201    -11.87390687
  O     14.61047681     10.74624507    -17.47425957
  H     14.41150215      5.94044127    -15.73708687
  H     14.83608509      9.96405534    -11.90030119
  O     14.08759154      9.56436403    -11.43600118
  H     13.13498513      6.46747914    -16.40986636
  H     12.45340599      8.92888364    -15.85635749
  O     12.95126180      9.69528566    -15.53985913
  H     20.19734138      6.17893739    -15.22621417
  H     13.37135172     10.13458559    -16.29091710
          69
 Energy    -248.31593207482607     
  O     13.07444295     10.55682650    -16.89450325
  H     12.56070523     11.28761716    -16.50632365
  H     12.33968269     13.47796514    -12.25718211
  O     12.87486599      7.44134735    -11.02279320
  H     13.35266384     10.84483685    -17.75978754
  H     17.27517126      9.47208923    -10.15442646
  O     14.28759790      9.49451834    -14.59853959
  H     12.32061648      8.18661312    -10.75840188
  H     16.87997063      9.09167853    -11.58553746
  O     12.84987968     11.62902611     -6.71402627
  H     13.34997745      7.18844404    -10.21902615
  H     15.10071182      8.61276712    -13.14121525
  O     11.49228346     12.43792442    -15.71296108
  H     14.03747416      9.82473618    -15.47056802
  H     14.53172985      7.84020508    -11.92046713
  O     11.97964263      8.33918772    -13.56559488
  H     13.48854253      9.07800504    -14.24192087
  H     12.80303666     15.24408071    -10.52226815
  O     14.20481392      7.23257702     -8.55179221
  H     12.32739666     12.02730585     -7.43365984
  H     13.81716866     14.07819083    -10.51712713
  O     14.15429583     10.53732870    -10.84703880
  H     12.62534440     12.09603383     -5.91414408
  H     18.10022660     12.52586860    -12.26106721
  O     12.34009364      9.01471183     -7.70383975
  H     11.74508286     12.77296715    -14.84318242
  H     17.34842426     11.32683076    -11.63846521
  O     15.45761684     13.58678618    -10.18783765
  H     10.63331893     12.01450428    -15.59273028
  H     10.00225475     10.71073067    -13.48023826
  O     11.56131385      9.93298566    -10.27889283
  H     12.20924605      7.81982956    -12.78695472
  H     11.19916036     11.45528444    -12.83145231
  O     12.27279242     12.90291724    -13.02789274
  H     11.51565702      9.13139759    -13.25626016
  H     14.41086443     11.54598695     -7.73955102
  O     17.43850290      9.69697707    -11.08174683
  H     14.29054297      6.49601879     -7.95102684
  H     14.74778381     11.13094541     -9.20302158
  O     15.31034902      8.30587048    -12.24913973
  H     13.55937253      7.84462758     -8.15447035
  H     14.71943615     11.05556717    -13.75047142
  O     12.87992490     14.30281330    -10.65821300
  H     14.29152216     11.18021733    -11.55299391
  H     15.68205707     12.02528165    -12.97072367
  O     17.23372030     12.22365834    -12.00344481
  H     14.64581883      9.75415598    -11.12377284
  H      8.32709251     10.69789219    -15.50962544
  O     10.63869906     10.66839950    -12.75620742
  H     11.87890262      9.28968314     -8.50632833
  H      9.72161299     10.02715662    -15.57935199
  O     15.12734478     11.48192201     -8.38229803
  H     12.52134013      9.82814420     -7.21749760
  H     15.80170370      8.39765974     -8.55421987
  O     14.76904540     11.88233937    -13.25068835
  H     15.45285335     12.97855161     -9.43541789
  H     16.12876407      9.88531411     -8.31163069
  O      9.21811229     10.75757194    -15.17668815
  H     16.11410453     13.23572812    -10.80006533
  H     11.95709333     13.13149861     -9.51085878
  O     16.52388003      9.03529464     -8.54836416
  H     12.48440712     10.18504568    -10.45671829
  H     11.37187363     11.70145013     -9.41887380
  O     11.53330914     12.50424431     -8.91136237
  H     11.05363068     10.15028092    -11.07261577
  H     11.23841478      8.43283436    -15.32031686
  O     10.89271753      8.83548457    -16.12824836
  H     13.17783944     12.59857563    -13.20196575
  H     11.63759854      9.30168006    -16.52800641
          69
 Energy    -248.31589406831512     
  O     -6.32585305      1.45348195      0.35726556
  H     -6.53921705      1.82983100      1.22136014
  H      0.56087945      1.96530831      2.93290279
  O     -4.68335863      1.37578713     -3.70383118
  H     -6.05135412      0.54146654      0.52675695
  H     -0.38509690      3.31796493      0.44777412
  O     -6.58779311      2.35515950      2.99308762
  H     -4.09028352      2.07543585     -3.38458424
  H     -1.31358723      4.44364000      1.03104981
  O     -1.10990676     -1.32020695      2.61241589
  H     -4.61428581      1.37933609     -4.65610760
  H     -5.08176490      2.67023674     -0.16312611
  O     -2.92665635     -1.11026886      0.47167613
  H     -5.84203209      2.95841735      3.16304653
  H     -3.89702338      3.15811148     -1.08988049
  O     -3.64264042     -0.89863114     -2.24326558
  H     -7.32778296      2.68603108      3.49524161
  H     -1.20326443      1.47828864      0.49621864
  O     -5.64705974     -1.23701785      0.90155761
  H     -1.70673028     -1.11901969      3.34372626
  H      0.27420478      1.05826916      0.66390018
  O     -2.86288973      3.07086374     -2.57944460
  H     -1.67346396     -1.44169666      1.83694812
  H     -6.60005316     -1.13721201     -1.97739839
  O      1.03472522      0.27543459      2.17200562
  H     -2.90385936     -0.18931949      0.78004019
  H     -6.80623006     -2.65915825     -2.17897550
  O     -1.29499930      0.84972434     -2.46054105
  H     -3.05610525     -1.07746626     -0.48468363
  H     -1.47703935      2.37300272      3.84828624
  O     -2.95157985     -0.52951702      4.64404897
  H     -4.43063182     -1.44442104     -2.12527329
  H     -2.47910522      1.25591561      4.33106284
  O      0.15802502      2.78226232      3.25487904
  H     -3.94876343     -0.12918847     -2.74017062
  H     -5.81326407      0.64815057      3.43157772
  O     -0.41640771      4.24472021      0.72940732
  H     -5.97956485     -1.65004430      0.09641262
  H     -5.59409503     -0.68822110      2.69769168
  O     -4.32450902      3.26711423     -0.22943790
  H     -4.68100970     -1.28870970      0.84228004
  H     -3.36426304      2.12309392      0.82671736
  O     -0.33288639      1.51501491      0.06892165
  H     -2.25691040      2.31157869     -2.57280717
  H     -2.72198105      1.73994511      2.20554651
  O     -6.24171977     -2.01662181     -1.75827025
  H     -2.32587953      3.85918430     -2.42781211
  H     -3.59394106      4.56263850      0.69889333
  O     -2.41181801      2.14540547      3.96474812
  H      0.29742449     -0.33251676      2.36277444
  H     -3.14525447      6.02848251      0.88821600
  O     -5.40058340     -0.21887570      3.51938538
  H      1.83946579     -0.21919301      2.29871970
  H     -6.28188063      0.93925293     -2.78098563
  O     -2.79129026      1.49085334      1.27544746
  H     -0.84852704      0.97909308     -1.61084046
  H     -6.90714609      0.98575129     -1.36863111
  O     -3.08361224      5.15765726      1.27519344
  H     -1.84770458      0.06664231     -2.37540703
  H     -3.74279583      3.34370194      3.79274876
  O     -6.97728925      0.55547951     -2.23159878
  H     -3.05709703     -0.95601226      5.49044234
  H     -4.01721420      4.49018829      2.80786093
  O     -4.44426515      3.92290646      3.45921280
  H     -3.84288114     -0.45021799      4.25851802
  H     -0.81412081      4.91070984     -0.97194579
  O     -1.17926525      5.15593913     -1.83524686
  H      0.14475983      3.39157382      2.50884495
  H     -0.48341704      5.62839398     -2.28694362
          69
 Energy    -248.31588232150551     
  O     17.89002139      8.60365111    -15.78199003
  H     16.93780572      8.64848707    -15.62850116
  H     16.38442175      6.01091546    -16.80443105
  O     16.33477959      1.64009425    -12.39335894
  H     18.04530250      7.80061905    -16.29482811
  H     18.02805191      1.40365107    -12.14372906
  O     20.65659546      5.86736787    -13.34463710
  H     16.25953291      1.96511197    -13.29974148
  H     19.25983531      0.60823214    -11.64373752
  O     14.07124194      3.91619572    -15.86304890
  H     15.82298262      2.24183739    -11.83865007
  H     13.91544568      8.09837252     -9.65147493
  O     13.63338310      5.20629196     -8.98966541
  H     20.26898503      5.26410837    -12.69432599
  H     12.39535779      8.34667237     -9.79810680
  O     16.77578174      7.70198447    -11.27456678
  H     20.57192505      5.42178052    -14.19538915
  H     18.53261907      4.46931908    -10.98072660
  O     19.22571483      2.18916048    -14.86066980
  H     14.51867380      4.69464013    -16.24568136
  H     19.12881166      3.21511412    -11.71363182
  O     17.18653173      5.25467960    -10.00791680
  H     13.34779377      3.69475833    -16.44173369
  H     14.25114766      4.63491842    -14.13867780
  O     18.25891101      6.06191440    -17.08433918
  H     13.95467341      4.59419877     -9.66570894
  H     15.54739170      5.12206280    -13.43426818
  O     17.32283955      5.13504360    -13.64669267
  H     13.34259421      6.00129658     -9.45116865
  H     19.41296979      7.16754892    -13.31350364
  O     20.23452678      4.49168335    -15.86545739
  H     15.95367772      7.73863536    -11.77902975
  H     18.46382397      8.10515469    -14.15070901
  O     15.42871717      6.07623431    -16.68836555
  H     17.49562819      7.79148039    -11.91626103
  H     14.29260313      6.74380288    -12.90410000
  O     19.00192127      1.40778005    -12.09337164
  H     18.27709542      2.23411957    -15.04668712
  H     13.79106511      7.79972923    -11.87805549
  O     13.11895341      7.83147854    -10.14565816
  H     19.29829773      1.86387386    -13.95620621
  H     14.74532464      4.15390901    -11.77573762
  O     19.09764097      4.17967539    -11.71053133
  H     16.89851400      5.39717598     -9.09834727
  H     15.80369765      4.19855620    -10.64140387
  O     14.58296047      5.05909011    -13.33897995
  H     17.07202526      6.09963904    -10.46868151
  H     15.67289944      3.02240072    -15.39638931
  O     18.57314743      7.64904366    -13.30582280
  H     18.51271996      6.03639696    -18.00521611
  H     16.85474675      3.65690235    -14.62988083
  O     14.30998200      7.68873310    -12.68454909
  H     18.90860861      5.52039460    -16.61100297
  H     15.85531602      5.54259861     -6.67974189
  O     15.02375344      3.71902527    -10.95699878
  H     17.89564273      4.68997787    -13.00635663
  H     15.02958352      5.57943888     -7.98943977
  O     16.52246655      2.81969115    -14.98953611
  H     17.65631280      6.03911082    -13.69039632
  H     16.06598994      8.29236768     -9.64874845
  O     15.87314121      5.84857307     -7.58213237
  H     21.07750695      4.29410432    -16.26730125
  H     15.68400994      7.62971134     -8.30949892
  O     15.46932669      8.36983769     -8.89041284
  H     19.89944917      3.65246451    -15.50284965
  H     14.79371462      8.29423709    -14.31435725
  O     15.06023652      8.50262420    -15.22392744
  H     15.26308706      6.90423598    -16.22129223
  H     14.51210061      9.23295159    -15.50327668
          69
 Energy    -248.31585108993562     
  O     -5.73031522      3.83728385      0.69314223
  H     -4.91093941      4.32643946      0.54777434
  H     -4.00238195      0.57138154      5.45999275
  O     -3.91030040      1.74404454     -4.07134259
  H     -5.77091520      3.59002148      1.62917045
  H      0.60949243      0.88098214      1.01205322
  O     -5.69841036      2.58611166      3.14011623
  H     -4.60732831      1.52976393     -3.43114817
  H     -0.78724895      0.28246025      1.28281352
  O     -4.14434543     -0.70018068      2.16345744
  H     -4.26910596      1.53877657     -4.93119633
  H     -1.19274457      2.21487908      0.33365837
  O     -2.46091823     -1.38738090     -1.72403467
  H     -6.37203280      2.02233686      2.72636545
  H     -2.68346566      2.15366997     -0.07656784
  O     -5.69750537      1.08325506     -2.05316130
  H     -5.16981174      1.99580510      3.69095692
  H      1.28636278     -1.61432842      0.31728427
  O     -6.50933641     -1.65787717      1.04813743
  H     -4.98792428     -1.11499046      1.94451332
  H     -0.11163294     -2.11851428      0.71445868
  O     -5.26105559     -1.60346637     -1.35434823
  H     -4.20058342     -0.30214568      3.04145760
  H      2.92023864      0.40210234     -0.10736020
  O     -1.65519118      1.14975561     -2.60659714
  H     -2.23411814     -0.50542459     -2.05151207
  H      1.63437836      0.13735603     -0.92594638
  O     -1.73399399     -1.22246021      0.96796714
  H     -1.74721480     -1.97578998     -2.00184182
  H     -8.43136426      3.16221238     -0.94222309
  O     -0.07899137     -2.80596821     -2.24858019
  H     -5.10007120      1.11831868     -1.28929410
  H     -7.02817707      3.14762857     -0.29169833
  O     -4.02945036      0.75235035      4.52490375
  H     -6.49047391      1.55967722     -1.78112288
  H     -2.09909723      2.74034019      3.51376110
  O     -0.25263199      1.08381153      1.39426678
  H     -6.07819517     -1.69123740      0.17463609
  H     -1.12759724      1.64325571      2.99216090
  O     -1.85335977      2.63163946     -0.23642687
  H     -7.02033337     -2.45810735      1.13350375
  H     -7.17639997      0.08828764      1.43862759
  O      0.72590416     -2.39997008      0.31931197
  H     -5.54110448     -0.77372181     -1.76210673
  H     -7.65203640      1.42354881      0.82948019
  O      2.00029924      0.16702401     -0.02335179
  H     -4.30568064     -1.64906339     -1.49173753
  H     -4.19726205      0.68441570      0.93793399
  O     -7.68899259      2.59607840     -0.74728901
  H     -1.66745440      1.76216351     -1.85965271
  H     -4.78141678      2.09292565      0.60988470
  O     -1.73349909      1.86414844      3.70800338
  H     -2.36776525      1.41000969     -3.20699192
  H     -2.60725900      4.20143069      0.11786086
  O     -7.40985739      0.99796505      1.65980961
  H     -2.01265181     -1.26956579      0.04269736
  H     -2.78363003      5.73347582     -0.00176580
  O     -4.22163274      1.38387838      0.27315250
  H     -2.54180414     -1.15322236      1.49292053
  H     -3.15006950      4.53756492      2.27846152
  O     -3.15753602      4.95265679      0.39809745
  H      0.25031141     -2.76714338     -1.33237976
  H     -4.08979736      3.77864545      3.23475675
  O     -3.20599098      4.15668408      3.16253246
  H      0.19836110     -3.64453152     -2.60649600
  H      0.04383088      0.41256547     -2.62866020
  O      0.85565259     -0.09050220     -2.47663343
  H     -3.15409038      1.10799220      4.27884332
  H      0.60879560     -1.01909158     -2.56323879
          69
 Energy    -248.31583083794175     
  O     16.03622442     10.26306865    -16.73204513
  H     15.18669334     10.53468466    -16.36612784
  H     21.11075723      9.98510640    -17.28386508
  O     15.09737473      6.00390218    -13.48546505
  H     16.46341371      9.71723859    -16.05049750
  H     18.05982449      8.45678347    -14.72326409
  O     18.01193429     13.70125452    -11.33441364
  H     15.23582726      5.90880675    -14.43235034
  H     16.66881083      8.54839469    -14.01609014
  O     19.88078696      8.29173323    -14.47219083
  H     15.94802078      5.78019767    -13.07026450
  H     13.47135162      9.68954789    -15.27465359
  O     15.71550190      6.66007336    -16.33008324
  H     17.20219874     13.26978894    -11.00410187
  H     12.73999305     11.01393153    -15.59562738
  O     17.29335496     10.25680955     -8.97976536
  H     17.91838797     14.63426728    -11.16410166
  H     17.61818887      8.75888818    -10.09112726
  O     15.64365081      8.51266332    -12.47560092
  H     20.17532642      8.61961116    -15.33133290
  H     18.45505368      8.77786089    -11.38494142
  O     17.83013594     11.95666213    -13.54428045
  H     19.97880699      7.33135342    -14.43944600
  H     14.10746036      7.51355945    -15.73575670
  O     19.76952577      5.52084785    -14.25530862
  H     15.77868931      7.00910508    -17.22816692
  H     13.45727838      7.40938923    -14.36839539
  O     18.30819221      5.36020082    -16.50355848
  H     16.26952879      7.24746091    -15.78817007
  H     19.63541303     10.99640688    -10.81050073
  O     17.60181831      5.76674474    -12.36017351
  H     17.29130184     10.27145641     -8.02603995
  H     19.10562115     12.39088815    -10.42949500
  O     20.33020893      9.58192161    -16.91304302
  H     18.09470042     10.73187018     -9.26610331
  H     18.86351032     10.63719944    -12.79765686
  O     17.11133173      8.54362900    -14.87387957
  H     15.34023755      7.63479597    -12.74445015
  H     19.73950034      9.38766451    -13.06653245
  O     13.59176337     10.65129904    -15.36627815
  H     16.35861530      8.38977445    -11.83555471
  H     16.18493171     11.50409786    -10.01228660
  O     17.85477049      8.22648163    -10.86082946
  H     17.97362207     12.66468456    -12.90355804
  H     15.49135221     11.86997007    -11.35316700
  O     13.43393742      7.92498106    -15.17783228
  H     16.90933061     11.67705611    -13.44365876
  H     18.03879864      7.78854092    -18.44325905
  O     19.43161451     11.56371299    -10.05365046
  H     19.25131009      5.38449332    -15.06988352
  H     19.39544121      8.20801191    -17.83123146
  O     19.41195106      9.96727464    -12.36574847
  H     20.39083421      4.80006112    -14.19828266
  H     14.58722270     11.12132453    -13.80501102
  O     15.86449240     12.24309118    -10.54330960
  H     18.62561509      6.02072530    -17.13928562
  H     15.28581923     10.18937495    -12.79229738
  O     18.90818813      7.45669777    -18.19020060
  H     17.36022831      5.50934196    -16.44296456
  H     18.38377183     11.73647712    -15.31083473
  O     15.19177193     11.11905216    -13.05568870
  H     17.80049891      6.48471489    -11.74670760
  H     17.65943387     11.24961349    -16.57381059
  O     18.53026867     11.49005622    -16.23408280
  H     18.37239555      5.66783728    -12.93096648
  H     16.09343861      9.05475723    -18.04986624
  O     16.17177949      8.27286940    -18.62228832
  H     19.71943394     10.30663068    -16.68768673
  H     15.76651731      8.49641157    -19.45622854
          69
 Energy    -248.31574528147240     
  O     11.77238718      9.53246775    -15.18596791
  H     11.65042774      8.57903247    -15.27620712
  H     13.79750166      6.04977874     -7.88724113
  O     16.01066777     10.41635240    -11.10621431
  H     11.47103437      9.76921072    -14.30009441
  H     13.86785063      8.32953461    -10.26008622
  O     15.06238012      4.90454029    -12.96612782
  H     15.57892978      9.71304702    -10.59042209
  H     14.71666406      7.81390389     -9.05909820
  O     14.26415305      3.17652173     -9.19800757
  H     16.48347398     10.96223218    -10.48258019
  H     12.67606096      3.08968411    -12.52048136
  O     17.22370157      8.51881141    -12.87280659
  H     15.65954244      5.33674836    -12.34007794
  H     12.53213741      4.17063186    -11.41286124
  O     15.72862350      8.41659354    -15.15918711
  H     14.46283535      4.34343775    -12.45438673
  H     14.51456185      7.82405300    -13.91802195
  O     13.86844957     11.34161899    -12.73755782
  H     13.92792898      3.06679117    -10.09749857
  H     14.26986749      6.49898070    -13.15831669
  O     11.98267891      2.86073367    -14.26462733
  H     13.57354623      3.66635854     -8.73384908
  H     10.73845552     11.15046477    -12.24388345
  O     12.25213526      4.96950984     -8.24845643
  H     16.90896965      9.24309367    -12.31752238
  H     12.22783136     10.82450358    -12.51975784
  O     14.18946026     10.72395402    -15.50322163
  H     17.14471071      7.72530648    -12.32920449
  H     15.90744520      6.37144878    -17.62947390
  O     16.52366031      4.63781784     -8.87884444
  H     16.36786388      8.49735091    -14.43412554
  H     15.44985860      7.07629272    -16.34407451
  O     14.62645864      6.54094217     -7.82715803
  H     15.32318190      9.27836917    -15.31939592
  H     14.26503797      5.08867091    -16.10604045
  O     14.75209774      8.34315660     -9.86909007
  H     14.11123468     11.21111826    -13.66256404
  H     14.31331858      4.62568082    -14.64330846
  O     13.08258966      3.43384248    -11.71601895
  H     14.62435735     11.06585406    -12.20560957
  H     15.83755455      7.06142149    -10.72930624
  O     13.90955040      7.38343501    -13.30940559
  H     12.59803802      3.40530162    -14.78516475
  H     16.61980997      5.78716308    -10.34860753
  O     11.33139316     10.44193092    -12.47904443
  H     11.81569111      2.07268747    -14.77514557
  H     12.94095918      7.91081701    -11.98969892
  O     15.24059923      6.34564348    -16.94788053
  H     11.49973665      4.85808019     -7.67249748
  H     11.86764748      8.92993361    -11.54351018
  O     13.78451460      4.56164546    -15.45185505
  H     11.89802057      5.17960779     -9.12861990
  H     12.48838810      7.03158183    -14.35174862
  O     16.44677509      6.39590400    -11.07816707
  H     14.15735405     11.35841138    -16.21428146
  H     12.31462613      5.98444473    -15.43055455
  O     12.36298640      8.15758518    -11.24745666
  H     13.31459045     10.29493873    -15.46934205
  H     10.71240177      4.20152031    -13.60458974
  O     11.84443425      6.70601241    -14.99996838
  H     15.76548090      4.04093278     -9.01279218
  H     10.69271308      5.70785970    -13.85924198
  O     10.35166215      5.02787407    -13.26279664
  H     17.19468925      4.13290806     -8.42752948
  H     10.92631494      5.37960598    -11.60244391
  O     11.46833691      5.57162383    -10.82227138
  H     15.32564838      5.91168430     -8.04349036
  H     11.74475697      6.49527889    -10.90247107
          69
 Energy    -248.31569639009220     
  O     16.34751393     10.46872051    -16.86512789
  H     15.55283970     10.93056274    -16.57490410
  H     21.02839108      8.65691255    -17.05385368
  O     15.67356077      5.33946846    -13.74909708
  H     16.51562494      9.78553302    -16.19526051
  H     17.74899173      8.47879806    -14.59802106
  O     18.71026714     13.56839600    -11.29043706
  H     16.47763735      5.48330866    -13.23756758
  H     16.28551203      8.71639081    -14.12326874
  O     19.44557625      7.85224583    -14.06952053
  H     15.93137160      5.44096028    -14.67759495
  H     13.68633394     10.48024228    -15.58514027
  O     14.35181091      7.40236667    -17.63591331
  H     19.09110169     12.85860248    -10.74301063
  H     13.22151497     11.90516757    -15.97310732
  O     16.95372294     10.34307623     -9.04716187
  H     19.16392364     14.37287512    -11.05481354
  H     17.27182551      8.86613067    -10.14285832
  O     15.36147111      8.96633239    -12.56297536
  H     19.76540554      7.81809658    -14.98007229
  H     18.18427406      8.85083064    -11.38153343
  O     18.24682175     11.98368242    -13.59800489
  H     19.13651071      6.98900131    -13.77686054
  H     13.59596496      8.32349874    -16.28962500
  O     13.57740480      6.97233649    -13.26447494
  H     14.97507763      6.81066716    -17.19349616
  H     13.30833633      8.19005117    -14.77565448
  O     16.48435505      6.18002569    -16.23856027
  H     14.88440954      7.88214224    -18.27988527
  H     18.76640058     11.01386511     -9.43984062
  O     18.08682087      5.97557864    -12.31714209
  H     16.60156011     11.05447452     -9.61240223
  H     19.68569948     10.78612588    -10.65044281
  O     20.16025224      8.52847301    -16.67981174
  H     16.53269924     10.43716717     -8.19692292
  H     19.60986888      9.16466232    -12.88164950
  O     16.84305904      8.60568716    -14.90332229
  H     14.68477755      8.28465054    -12.66618418
  H     19.00026843     10.58356086    -12.72975640
  O     13.97484750     11.40963458    -15.66474823
  H     16.01765384      8.66681110    -11.92124242
  H     15.79389495     12.20020345    -11.54480329
  O     17.51464599      8.33123711    -10.90950912
  H     17.28717837     11.85915063    -13.57252047
  H     16.94844197     12.92862701    -10.83805699
  O     13.30046099      8.81417847    -15.50724659
  H     18.45517782     12.65367116    -12.93489117
  H     18.91813934      7.52031015    -17.74311744
  O     19.53629230     11.37403847     -9.89563853
  H     14.28426839      6.32660803    -13.44621956
  H     17.65106496      7.63105285    -18.61874443
  O     19.40238040      9.85443336    -12.23653276
  H     12.82896873      6.47787404    -12.94231184
  H     14.93758221     11.68144170    -14.08035770
  O     16.17008213     12.38230162    -10.67371769
  H     17.12877285      6.25327418    -16.95609770
  H     15.38217390     10.68103158    -12.99054393
  O     18.24339903      6.99775107    -18.19298058
  H     16.53878431      7.02337314    -15.76384726
  H     18.89823208     11.37271266    -15.28173243
  O     15.48428627     11.59759184    -13.29085869
  H     18.50020574      5.32256997    -11.75595397
  H     18.13672106     10.92518733    -16.53171185
  O     19.01975885     10.94644284    -16.13918725
  H     17.87409710      6.73063157    -11.74540740
  H     16.26574849      9.44587341    -19.91999251
  O     16.32093359      8.91750926    -19.12791795
  H     19.79957258      9.41600265    -16.50200721
  H     16.33125375      9.53637204    -18.37815959
          69
 Energy    -248.31569084192603     
  O     10.63922960      8.79458164    -12.43123378
  H     10.53663048      8.10343335    -13.09476328
  H     14.21535073      4.86193400    -10.39005448
  O     12.51220364      5.22706289     -8.02645835
  H     11.50085518      9.19292594    -12.61057608
  H     15.17449312      4.19279268    -13.94884840
  O     17.00871099      6.81796333    -13.60734437
  H     13.28957979      4.90878543     -8.51292954
  H     15.66077376      5.66516191    -13.89630819
  O     17.24352367      5.59276347     -9.76930579
  H     12.47734906      4.72752255     -7.21410502
  H     12.52314961      5.39688577    -11.92656463
  O     15.75842834     10.59173123    -13.80866813
  H     16.78953416      7.43756496    -14.31247933
  H     13.94523950      5.42375275    -12.55408163
  O     12.52151675      8.07475441     -8.47510573
  H     16.92549191      7.28938383    -12.76588956
  H      9.29366973      8.92172665     -9.59364883
  O     13.40268903      7.27782108    -14.95559612
  H     17.12072011      6.46766720    -10.17754791
  H     10.23492970      8.53718064    -10.75661084
  O     11.65068412      2.21837165    -12.31969414
  H     17.86773367      5.70985678     -9.05718774
  H     13.79971541      7.25644328    -11.09834083
  O     17.59255592     10.44371106    -11.78022345
  H     14.87065437     10.37769524    -13.49071736
  H     13.59974675      8.20800283     -9.88498954
  O     16.09772955      2.66384758    -13.34200378
  H     15.90648957      9.98596998    -14.54321385
  H     17.78381263      5.24794520    -12.84416977
  O     14.19011211      2.16913113    -11.28064241
  H     12.52313792      7.14692105     -8.20942927
  H     17.73046752      4.72046316    -11.40088879
  O     14.63930747      4.45319395     -9.61774809
  H     11.64900950      8.24250398     -8.85565409
  H     15.82416963      8.06879542    -10.88900230
  O     14.88321187      5.10636718    -14.05044214
  H     13.84996671      6.45152782    -14.72062460
  H     17.15021321      8.82827460    -11.21433971
  O     13.43901653      5.65452926    -11.76457752
  H     12.45683049      7.10318534    -14.87058130
  H     15.99705983      8.40704375    -16.62188927
  O     10.02734667      8.35743017     -9.82260983
  H     12.54419592      2.16806040    -11.94097907
  H     14.94320294      8.07480293    -15.54458337
  O     14.07189945      8.10705538    -10.72277953
  H     11.25382299      1.36491211    -12.16665088
  H     10.98389858      5.36187217     -9.19044385
  O     17.86511695      4.44331259    -12.31528952
  H     16.96771618     10.57339127    -12.51441669
  H     10.10209598      6.48518881     -9.77467190
  O     16.77128568      7.95126568    -11.05825899
  H     17.87699778     11.31492065    -11.51874488
  H     13.60431246      9.04449218    -12.17040744
  O     15.84518300      8.40814875    -15.67967810
  H     16.54384306      1.98330325    -13.83906373
  H     13.36905814      8.69210918    -13.66372988
  O     10.26998225      5.53461622     -9.81541472
  H     16.78980002      3.22736846    -12.95127259
  H     10.72547867      5.96417789    -13.68443604
  O     13.32584947      9.41369481    -13.02300997
  H     14.86411893      2.27306240    -11.96379033
  H      9.97771182      6.45379326    -14.94620234
  O     10.70670405      6.65929500    -14.36628741
  H     14.39243074      2.82239156    -10.60029948
  H     11.06575671      3.88609755    -12.40495677
  O     10.85269442      4.83017937    -12.36914781
  H     15.53879320      4.79892292     -9.58251378
  H     10.53370982      5.03522713    -11.47631368
          69
 Energy    -248.31567227247825     
  O     -1.44797465      4.42939931      4.30511180
  H     -0.50110190      4.30093961      4.50328442
  H     -0.66170906     -1.33299067      2.32673998
  O     -1.48080022      3.50666436      1.60580794
  H     -1.70194699      5.25988674      4.69788217
  H     -3.80380596     -0.06318711      2.02391606
  O      1.36137957     -3.45956459      1.45721809
  H     -1.51911200      3.93939950      2.46792343
  H     -4.03836865     -0.79817883      0.70447242
  O      1.29294717     -0.43561559     -1.48694726
  H     -0.54343032      3.37976586      1.40155506
  H     -1.75710023      2.67810249      5.00130083
  O     -1.16528838     -1.61167945     -0.80973477
  H      0.75856731     -3.33380593      2.19959735
  H     -0.76598863      1.49248010      5.00075647
  O     -2.66419654      1.20579714      2.60511373
  H      0.83217474     -3.84420961      0.74375418
  H     -0.14226014     -2.39647088      4.29763591
  O     -3.54176817     -0.15623204     -1.08927102
  H      1.90732617     -0.79530932     -0.83695448
  H     -1.46633725     -2.78076570      3.57221661
  O      0.62313716      2.15870560     -1.74024858
  H      0.45733246     -0.90651964     -1.36393631
  H     -0.29110327     -4.65059530     -1.48560927
  O      2.97244912     -1.47182561      0.60973560
  H     -0.98842095     -1.28321327      0.08594699
  H     -0.68196470     -3.35350015     -0.75979061
  O     -2.29154172     -0.90010119      5.94403667
  H     -2.00874452     -1.22101878     -1.06474857
  H      1.25005068      2.89858521      4.87438364
  O     -3.30172975     -2.45577704      3.71332701
  H     -2.33285010      1.99596941      2.15886266
  H      1.72517346      4.15710177      4.09572717
  O     -0.73447695     -0.59322983      1.70824233
  H     -2.42723196      1.31156898      3.53542457
  H      0.80993921      0.18545354      1.89356408
  O     -4.15739718     -0.88746790      1.65562945
  H     -3.06645304      0.68745363     -0.98255527
  H      2.30804891     -0.06545281      1.64149868
  O     -1.69773938      1.72409450      5.13298962
  H     -4.21433067     -0.00534007     -1.74817845
  H     -0.60712082     -1.32838634      6.01973341
  O     -0.50691386     -2.72512252      3.46593874
  H      0.90144448      1.22689648     -1.67701131
  H      0.65119780     -1.93268258      6.69354236
  O     -0.30276924     -4.23713911     -0.62611795
  H      0.89827941      2.47112860     -2.59783426
  H      1.31589105      0.83579321      3.83720797
  O      1.13069717      3.85252266      4.79650536
  H      3.85404908     -1.81770215      0.50275899
  H      0.92513831      0.12997029      5.16384468
  O      1.69513965      0.54659402      2.06545803
  H      2.42019211     -2.20965409      0.92866680
  H      2.14277854      4.13287858      1.89534652
  O      0.33746269     -1.53114763      5.88759541
  H     -2.26947104      0.04748397      5.75122097
  H      3.45557168      4.86520734      2.21847566
  O      0.98789540      0.99136793      4.73392592
  H     -2.75229845     -1.33189040      5.21480687
  H     -1.20879386      2.13187132     -1.21474218
  O      2.60231235      4.64239609      2.58146314
  H     -3.95622071     -3.12817129      3.88633345
  H     -2.03782653      2.72883801     -0.06717206
  O     -2.09383426      2.14094290     -0.82962418
  H     -3.62432667     -1.95067827      2.94682039
  H      1.42559366      2.14829533      1.30450448
  O      1.18645311      2.98377695      0.87604392
  H     -1.44802403     -0.01387915      2.00409048
  H      1.06230837      2.79145297     -0.06155554
          69
 Energy    -248.31565302900742     
  O     19.83544166      9.71661016     -7.44678657
  H     20.68127748      9.48199219     -7.86644113
  H     18.95315812      6.48546396     -6.92553688
  O     16.63017699      5.71515909     -9.88287507
  H     20.04632538     10.23701049     -6.67532921
  H     18.70339824     10.09392450     -8.84349371
  O     17.40768509      5.50084683    -13.32697192
  H     16.01931188      5.78801551    -10.62582420
  H     17.20274917      9.98642954     -9.26261999
  O     18.65475040      8.00650556    -13.23274090
  H     17.37446309      6.30339878    -10.08286223
  H     22.74381005      9.22599155     -9.36097170
  O     21.48062270      5.54196280    -12.05899462
  H     17.80452664      6.37558601    -13.43942057
  H     21.82913214      8.04433731     -8.99614352
  O     14.98082719      6.27546310    -12.05382715
  H     16.51057798      5.65482416    -13.00774553
  H     19.25745580      3.01004339    -12.83146947
  O     21.33040107      7.71455750    -13.69785996
  H     19.59576161      7.98892725    -13.46757173
  H     18.56402135      4.37801372    -12.65845364
  O     19.91524281      4.91317322     -7.48711079
  H     18.39375557      8.92238114    -13.08678719
  H     12.37859649      8.07505142    -11.16309014
  O     13.09243467      7.01560880     -8.18302235
  H     20.76393181      4.90279468    -12.15885189
  H     13.42111954      9.13177942    -11.56504770
  O     21.03806100      6.52997427     -9.45606134
  H     21.47330330      5.80655488    -11.13030182
  H     14.64150441      9.73608629     -8.72258790
  O     18.67066230      7.49209315    -10.49453392
  H     15.13710039      7.23066743    -12.01815332
  H     15.66429168      8.60715757     -8.41989194
  O     18.42475146      7.25981977     -6.69580468
  H     14.09646628      6.13438989    -11.69361909
  H     16.03380964      9.54986865    -12.04762402
  O     18.10296850     10.11522943     -9.59926562
  H     21.45048301      6.92725849    -13.13783459
  H     15.39830212      9.11133153    -10.70923744
  O     22.10275133      8.93465504     -8.71788118
  H     21.94273734      7.61723692    -14.42200366
  H     16.68238516      7.11745179     -7.13941639
  O     19.24634134      3.79198287    -12.28509024
  H     19.42463978      4.43674939     -8.18211516
  H     16.05208144      6.46492520     -8.38738528
  O     12.52583568      9.02816026    -11.21580617
  H     20.20485577      4.25829410     -6.85793536
  H     12.12501948     10.49311702     -8.36688047
  O     15.54401070      9.44289439     -8.89559162
  H     13.99105321      6.92253010     -7.83865054
  H     12.59765613      9.63842198     -9.56869750
  O     15.31920289      9.02659356    -11.67073658
  H     12.90171000      7.96099376     -8.17042854
  H     17.92192368     10.47882647    -11.35243800
  O     15.84744197      7.01934690     -7.61857796
  H     20.20465256      6.84895467     -9.83698221
  H     17.79330144     11.42377871    -12.56933375
  O     12.78077906      9.85666045     -8.63703522
  H     20.79714914      5.93125741     -8.73846160
  H     17.76086284      4.31068178     -9.58211834
  O     17.69284176     10.51520065    -12.29671088
  H     18.69477910      7.57744904    -11.45748091
  H     18.87702075      3.67834841    -10.42026438
  O     18.55656002      3.76375790     -9.51455627
  H     18.48157525      8.36754970    -10.13627993
  H     11.79126391      5.56539212    -10.69445382
  O     12.49781302      6.20528495    -10.71455572
  H     18.94429939      8.03344002     -6.93812514
  H     12.71238201      6.41403264     -9.78766925
          69
 Energy    -248.31546970041884     
  O     11.93657948      5.39450049    -14.19066885
  H     12.54529532      4.69469727    -14.45746000
  H     14.74660151      6.44331929    -15.13703895
  O     17.08601147      5.81593895    -13.04620434
  H     12.30948221      6.21556232    -14.53822527
  H     18.42510975     10.08476850    -14.05605067
  O     17.06753608      8.86153016     -9.75692128
  H     16.61725269      5.75163200    -13.88838283
  H     17.36547779      9.67693215    -13.00344658
  O     19.13101253      9.02355257    -15.39931757
  H     17.99362349      6.12037971    -13.20047582
  H     16.31624775     11.10678381    -14.12562930
  O     14.02893210      3.46680655    -14.61369615
  H     16.25678564      8.83302307     -9.22623163
  H     14.89403113     11.40829580    -13.61562991
  O     14.64206973      8.56997764     -8.51093165
  H     16.81056507      8.64530913    -10.66828466
  H     16.59334929      7.49155978    -12.63830076
  O     15.80271514      5.19752475    -10.71836722
  H     19.75087943      9.17749848    -16.10706098
  H     15.39228815      8.48826282    -12.49031606
  O     13.59128633      8.74635625    -12.41576941
  H     18.33577718      8.62907954    -15.80173824
  H     10.74508597      4.89772548    -11.30047400
  O     19.49075147      7.05770682    -13.31930468
  H     14.06403764      3.40386761    -13.64224885
  H     11.68015974      5.28822619    -12.46908906
  O     17.72002932      6.19709064     -8.97103473
  H     14.00923140      2.57340298    -14.94583711
  H     13.12154841      3.90255448    -11.65880863
  O     14.59665816      9.70351155    -16.47048883
  H     14.17760791      7.95406047     -9.09941238
  H     14.64083728      3.91985614    -11.41114684
  O     15.45076087      5.79418245    -15.28156897
  H     14.37288152      8.34061754     -7.62431685
  H     19.21210114      9.65119880    -11.91192116
  O     17.92328703     10.41743257    -13.30039441
  H     16.27346570      5.33886550    -11.55427866
  H     18.87304424      8.98908488    -10.57650918
  O     15.41179934     11.27250048    -14.41741048
  H     16.43414660      5.40188259    -10.01705012
  H     17.24922481     11.34755740    -11.71508833
  O     16.34430641      8.38719672    -12.37667004
  H     13.64673565      9.66144440    -12.11210027
  H     16.88884634     10.73087545    -10.35256796
  O     11.63905557      5.15869005    -11.50426719
  H     13.50890606      8.15852096    -11.65191238
  H     13.68693940      8.36090878    -15.54489566
  O     13.94371548      3.45784130    -11.89618418
  H     19.62034169      7.61897138    -12.54250852
  H     13.40208138      8.07530738    -14.04865402
  O     19.54394152      9.01450808    -11.26814210
  H     19.48079809      7.65743829    -14.07439978
  H     12.83218403      6.29558574    -10.68093276
  O     16.70446781     11.48199677    -10.92921530
  H     17.58171536      7.13540751     -9.16148551
  H     14.37484995      6.28454522    -10.51038918
  O     13.40284351      7.67366352    -14.93059950
  H     18.66554314      6.06209784     -9.00134451
  H     13.62173418     12.15672486    -11.47318482
  O     13.58363351      6.83438747    -10.40233532
  H     14.86723978     10.30444893    -15.75342933
  H     15.01679271     11.49264108    -11.43533218
  O     14.13099297     11.43572155    -11.83411055
  H     14.29881202     10.25059022    -17.19233711
  H     16.11848420      8.56906467    -16.52962269
  O     16.86532317      7.96798020    -16.41961262
  H     15.04039127      4.92710709    -15.17155916
  H     16.48780151      7.12380293    -16.14289968
          69
 Energy    -248.31541166100635     
  O     21.15046426     11.96633900    -18.37836637
  H     21.41640648     12.82975125    -18.01361605
  H     16.56246788     12.08996110    -13.13421796
  O     15.92146360     17.62547584    -14.32203613
  H     21.88974418     11.63677532    -18.88166661
  H     20.04994428     16.95855703    -14.10155993
  O     22.24628740     14.59631029    -14.48832970
  H     15.40389636     18.41071410    -14.16548565
  H     20.54947283     16.97785013    -15.56385323
  O     17.00935520     11.74316944    -17.18375901
  H     16.33235325     17.73365082    -15.19956653
  H     18.88782101     12.52830865    -12.86089409
  O     18.49761386      9.68345804    -11.82857196
  H     23.06995531     14.71501486    -14.02289586
  H     18.28757427     11.43699745    -11.93288708
  O     15.73648597     10.00460355    -15.38994593
  H     21.78892619     15.45617446    -14.47519073
  H     17.42934285      9.33410923    -14.82060662
  O     21.76610047     14.36200438    -17.28255625
  H     16.52894869     11.04516988    -16.72157375
  H     18.89068602      9.72003435    -15.10430086
  O     19.67562965     16.35309991    -17.25883027
  H     16.58561581     12.57292312    -16.92124667
  H     16.74297741     15.85187384    -18.96416258
  O     15.25925221     14.91331391    -13.66984023
  H     18.70254594      8.88365154    -11.35326963
  H     15.85025492     15.37282199    -17.80004119
  O     20.06752576     12.83983042    -14.16397557
  H     18.47067566      9.43893102    -12.76989752
  H     18.07150895     16.04967302    -12.59313787
  O     18.58149036     12.82307798    -19.27226843
  H     14.90955844      9.53140240    -15.36204697
  H     17.55152481     17.11465165    -13.58578654
  O     15.72063530     12.04235946    -13.60614838
  H     15.67165110     10.72582802    -14.73699386
  H     16.65027026     17.32869572    -17.34297282
  O     20.84725706     16.92958506    -14.64762707
  H     22.05657939     14.39785318    -16.36312355
  H     18.08139771     17.59509057    -16.85912971
  O     18.18713969     12.35769055    -12.21511679
  H     21.14667643     15.09294360    -17.38969380
  H     16.97460912     14.81460558    -10.61130330
  O     18.33509608      9.19148812    -14.51833897
  H     19.24400628     15.73686133    -16.64339768
  H     17.57712910     13.89843288    -11.70111692
  O     15.96590015     16.08661232    -18.44252244
  H     19.31764200     16.15810377    -18.13611788
  H     20.17876280     11.26301968    -16.96203473
  O     18.34603108     16.63806789    -13.30885796
  H     15.84647723     14.84475792    -12.90549059
  H     18.68847080     11.35764244    -16.54612056
  O     17.16569813     17.83335345    -16.69389280
  H     15.32738014     15.83771892    -13.94278475
  H     19.01263923     14.03494513    -15.01548360
  O     17.19724646     14.77960948    -11.53804880
  H     20.89687067     13.32678697    -14.23903361
  H     18.38072728     15.40554025    -14.67117733
  O     19.56912455     11.10576291    -16.23099372
  H     20.01780746     12.17814484    -14.86992950
  H     18.52048663     14.52105355    -19.55412545
  O     18.48009714     14.75351532    -15.37777005
  H     19.45612257     12.47293082    -19.06418384
  H     18.65674953     15.67507037    -20.57668329
  O     18.50756258     15.49024495    -19.65315231
  H     17.96339306     12.38495188    -18.67340748
  H     15.49053954     14.34275224    -15.54492884
  O     15.99957969     14.19284327    -16.34775018
  H     15.39645144     12.94697130    -13.66047243
  H     16.91155725     14.39923003    -16.08474367
          69
 Energy    -248.31534850429136     
  O     11.44340275      9.93175806    -15.62127859
  H     11.80437744     10.82335381    -15.67557800
  H     18.98992641      9.72525483    -12.26754608
  O     16.07687849      7.42742400    -12.80678838
  H     12.08624730      9.35565750    -16.05993572
  H     15.71625415     11.55505000    -16.67029759
  O     15.98013372     11.55429373    -11.59075544
  H     16.68498917      7.99580026    -12.31504174
  H     14.94067208     10.91877323    -17.83225590
  O     16.98796612     10.90095510    -15.47104096
  H     15.30475042      7.30248745    -12.23928059
  H     15.30873626      8.62563935    -13.93881252
  O     13.72999730      5.69460406    -15.75240790
  H     16.70703687     11.96771489    -12.07311507
  H     14.45279515      8.96392514    -15.20726271
  O     14.16345567     10.53390896     -9.60488171
  H     15.20823083     11.62336726    -12.17151927
  H     10.85225639      9.09810150    -14.24246107
  O     13.79454749      7.40105114    -11.20312317
  H     16.29690577     10.35752391    -15.06066834
  H      9.63371789      8.51739889    -13.48529663
  O     13.79730496     11.49124921    -13.31105583
  H     17.36791158     11.44638433    -14.77525909
  H     17.75072088      7.42894637     -8.28548361
  O     17.27926991      8.57219818    -17.08947754
  H     13.42813978      4.83205230    -16.02391103
  H     16.37603678      8.01150562     -8.65797376
  O     14.55186282      8.09473574     -8.52140019
  H     13.27351577      5.89963244    -14.91626189
  H     12.90037579      6.55891150    -12.64465913
  O     16.49201432      6.48079316    -15.41234760
  H     13.42360995     10.37730564    -10.20809504
  H     11.75125247      7.08253276    -13.52071142
  O     19.64582698     10.14303159    -12.85063575
  H     14.83888153     10.98581621    -10.12467634
  H     18.64141845     13.16122188    -13.33281044
  O     14.93631086     11.67137846    -17.23014018
  H     13.34383504      8.23872250    -11.38756509
  H     18.75949086     11.63190753    -13.12998409
  O     14.93631141      9.34470954    -14.46376926
  H     14.04575438      7.43662870    -10.27408665
  H     16.95593498      9.99569460    -11.33849940
  O     10.58359196      8.59108622    -13.45418217
  H     14.18121217     10.69432712    -13.71619651
  H     17.54870823      8.86433175    -10.42758232
  O     17.32403800      8.06830483     -8.85051317
  H     13.41545466     11.99391411    -14.03860121
  H     15.35668569      9.00661731    -19.57724746
  O     12.43620152      6.40412646    -13.47654008
  H     17.38199791      9.35391807    -16.53285134
  H     15.98429330      8.93103480    -18.16308467
  O     18.12858955     12.35914218    -13.27542387
  H     17.07295347      7.82707105    -16.50507372
  H     12.79586166     10.44685516    -12.24007627
  O     17.55477339      9.23679242    -11.32072956
  H     13.98428221      7.99059334     -7.76236611
  H     11.65769198      9.40486349    -12.16941703
  O     15.18012848      9.17880322    -18.65708774
  H     14.43126877      9.00982364     -8.83786527
  H     13.55227531     12.20252823    -16.31773301
  O     12.37995440      9.79228432    -11.65975189
  H     15.61818176      6.11555403    -15.59265704
  H     12.46709100     13.28266953    -16.10636040
  O     12.79875550     12.46038137    -15.75639528
  H     16.48444916      6.68685328    -14.46794934
  H     13.99899785      8.54481537    -17.40675148
  O     13.46468774      8.32545389    -16.63249466
  H     19.91635027      9.47047448    -13.47188763
  H     13.53552431      7.37611201    -16.46915511
          69
 Ord_Energy   -248.315170    
 O    3.10056615       4.48430395       1.38264418    
 H    2.35989475       5.05599689       1.11694467    
 H    3.80196357       5.06099272       1.67687774    
 O  -0.811664641       6.97872448       2.67987895    
 H  -0.745336115       7.77252817       3.20505881    
 H  -0.820515096       6.23083305       3.29936743    
 O  -0.392629623       2.29785824      -3.67355776    
 H   -3.85141484E-02   2.01727772      -4.52508736    
 H  -0.342421532       1.51997197      -3.09791708    
 O   -2.91403794       6.06378174      0.930598080    
 H   -2.97995090       5.18720961       1.33257687    
 H   -2.27528477       6.53704119       1.47557592    
 O    3.22444010       2.87748694     -0.958833098    
 H    2.69933438       3.37896085      -1.60311854    
 H    3.31250668       3.42434907     -0.169923216    
 O    1.99067545     -0.699100614      -3.85861182    
 H    2.67792177      -9.58759934E-02  -3.51634693    
 H    2.39195967      -1.56126177      -3.92494535    
 O   -2.50161815       3.60205984       2.25530863    
 H   -2.61238909       2.64164853       2.26476097    
 H   -2.00025988       3.85730147       3.03939676    
 O   0.837822318       5.85094643      0.672587752    
 H   0.334010780       6.33322811       1.33783329    
 H   0.330511689       5.04948092      0.461496860    
 O   -2.62636018       6.10800362      -1.77867830    
 H   -3.25843239       6.71824694      -2.14973211    
 H   -2.75710821       6.12237549     -0.813926637    
 O   -2.56169319      0.830772817       1.95556784    
 H   -3.14393926      0.139025375       2.25836349    
 H   -2.55945754      0.784565091      0.982253850    
 O    1.04816961       1.11766064      -5.78482103    
 H   0.891134083      0.706931472      -6.63150454    
 H    1.37018120      0.420751214      -5.19062710    
 O   -2.33139491       3.32935095      -2.00594401    
 H   -2.51940274       4.27416754      -2.06693006    
 H   -1.74202096       3.09030771      -2.73608208    
 O    3.15164256       2.98723102      -4.97726202    
 H    2.46428108       2.47673559      -5.41961288    
 H    2.69130087       3.54058409      -4.33052921    
 O    3.81961751       1.08474278      -3.05233932    
 H    3.76361656       1.73443997      -3.76905203    
 H    3.77754593       1.59980834      -2.23761225    
 O  -0.621829689       3.57161212      0.183723867    
 H   -1.16925025       3.51060271     -0.610104382    
 H   -1.22470212       3.55317450      0.938093781    
 O   0.268970281      0.919270992       2.56899118    
 H   0.650128424      0.903055787       1.67939794    
 H  -0.680071414      0.810128868       2.44270968    
 O   -2.52169871      0.786957443     -0.756039143    
 H   -1.79808474      0.357512653      -1.22945344    
 H   -2.64555478       1.64322102      -1.18595874    
 O    1.61418712       4.10877371      -2.86560869    
 H    1.18542731       4.95186520      -2.66365051    
 H   0.912408590       3.48988056      -3.10590196    
 O  -0.810039341       4.70427656       4.27111578    
 H  -0.893559515       4.54179287       5.20650911    
 H   -1.01245102E-02   4.23030567       3.97196937    
 O    1.29116845       3.34920216       3.37797141    
 H    1.96145344       3.60700583       2.73843360    
 H   0.991064012       2.45766187       3.14213729    
 O  -0.115694188       3.25514413E-02  -2.07741332    
 H   0.554226577     -0.370915651      -2.64071035    
 H   0.352086693      0.428665996      -1.32387829    
 O   0.245026335       6.35976171      -2.04621673    
 H   0.519916177       6.36472797      -1.11994064    
 H  -0.718694985       6.33390951      -2.03087616    
 O    1.07920146       1.40174568      -4.52318490E-02
 H   0.467971712       2.14532185       7.16465637E-02
 H    1.91483891       1.78840113     -0.335889578    
          69
 Energy    -248.31466222001717     
  O     15.93027565      5.40204881    -14.30998347
  H     16.56335166      5.72626907    -13.65862275
  H     18.48935094      5.47980186    -12.09829701
  O     17.57076204     14.08324022    -11.98297853
  H     15.12448003      5.92759661    -14.22560775
  H     18.63476560     10.98825615    -17.39510876
  O     19.94845062      9.26981202    -15.21634929
  H     16.78485874     13.74665676    -11.53475474
  H     19.93684292     11.41078424    -18.11636278
  O     15.85505903      7.77621584    -18.73175629
  H     18.31801600     13.65890039    -11.54234389
  H     17.04505966      7.83977287    -15.95614607
  O     17.38707007     10.94514266     -9.92397255
  H     19.97035781      9.81538801    -16.01079638
  H     18.14525034      8.76933267    -15.37372304
  O     15.37022653      8.98759264    -13.47908129
  H     19.83144605      9.84683662    -14.44733818
  H     14.23399307     11.49426670    -15.31464474
  O     17.50219392     12.48982728    -14.22417798
  H     15.47525210      7.32136917    -19.48065409
  H     15.10026804     11.36458854    -16.57136888
  O     19.87547123      6.55424986    -14.70952740
  H     16.09763361      7.09062232    -18.08288671
  H     16.67397102      8.88901477    -12.26476059
  O     13.61062262      7.08150874    -14.44370656
  H     17.36729698     10.12186547    -10.42970236
  H     17.80150541      7.89391403    -11.94272062
  O     19.46952013      5.84260088    -17.43897623
  H     16.60827403     11.45348237    -10.18472113
  H     14.48066708      8.33899636    -17.45173668
  O     16.76390534      6.14388856    -16.77703931
  H     15.99821892      8.90072732    -14.21380040
  H     13.89185263      9.45926183    -16.56736530
  O     18.16225588      6.20118342    -12.63071388
  H     14.66138074      8.35799001    -13.65529023
  H     20.17865891     12.51521358    -10.06682902
  O     19.52024341     10.68460177    -17.65957226
  H     18.08789026     11.81372098    -13.85613543
  H     18.80273196     11.86334335    -10.35361693
  O     17.19431226      8.68623630    -15.51921510
  H     17.52593924     13.22098846    -13.59059154
  H     18.64453460      9.98792462    -12.54971680
  O     14.20630619     11.21866051    -16.23781506
  H     20.07748271      7.49231522    -14.83483525
  H     19.48954994     11.25716572    -12.26121799
  O     17.50229319      8.79544685    -11.77143571
  H     19.81039909      6.19091313    -15.60004679
  H     15.05211570     12.31175549    -11.78400236
  O     13.87456331      8.50323687    -16.72281686
  H     13.67260238      7.54620210    -15.29952230
  H     14.50221300     12.98545626    -10.50759736
  O     19.53589955     12.36637363    -10.75459975
  H     12.69963095      6.82296333    -14.33691957
  H     17.78671295      8.18496770    -18.80901561
  O     19.20482715     10.66035178    -12.96445710
  H     19.30196978      6.67022722    -17.92528541
  H     19.04081886      9.01071538    -18.43120527
  O     15.29808055     12.63774237    -10.90212927
  H     19.96276728      5.27424637    -18.02416941
  H     14.98733749     10.72798275    -13.42333672
  O     18.74578995      8.13774233    -18.71525166
  H     16.46876344      5.75413085    -15.94095573
  H     15.78577102     12.01213196    -13.76074730
  O     14.92420389     11.69475583    -13.45352516
  H     17.66971578      5.85939838    -16.94831721
  H     16.97044436     10.33433144    -16.31332099
  O     17.05021969     11.24359408    -16.64089261
  H     18.78611522      6.30102776    -13.37189506
  H     17.21265719     11.80476967    -15.86701517
          69
 Energy    -248.31451311332825     
  O     11.92562876     11.44722851    -15.19253612
  H     11.43614703     10.95450405    -14.52275167
  H     19.25729269      8.54129747    -12.45360371
  O     15.41053701      6.80029380    -13.80337103
  H     12.49932332     12.07287776    -14.73415437
  H     15.78448712     12.29927467    -16.63086920
  O     16.55374092     10.08921603    -10.85908405
  H     15.99204746      6.93636612    -13.04486962
  H     16.63861160     12.06532490    -15.38039539
  O     17.59179807     10.55343837    -14.78755097
  H     14.52713725      6.67320844    -13.42952503
  H     15.16404786      8.52152432    -14.29709090
  O     12.85460341      7.20069775    -16.99655496
  H     16.32393727     10.08804725     -9.91797303
  H     14.57456380      9.59621093    -15.26901068
  O     13.56375470      8.31623201     -9.05394577
  H     15.81877852     10.49750617    -11.33698783
  H      9.55245887      9.68630645    -13.39323753
  O     13.03076058      6.69106947    -12.37618650
  H     18.08433704     10.51908803    -13.96139876
  H     10.76865580      8.87481397    -13.90054477
  O     14.43145934     11.03800618    -12.34763813
  H     16.72490180     10.15062969    -14.62004185
  H     11.87433933      7.27717224    -15.38600667
  O     17.13218969      9.07935581    -17.18153801
  H     12.55129107      6.67539664    -17.73200717
  H     11.90728211      6.96158747    -13.86778815
  O     14.68809903      5.93156155    -10.21289175
  H     13.80882628      7.02391006    -16.89994871
  H     19.44229321     11.02684592    -11.86842386
  O     15.49621669      6.86280152    -16.61861911
  H     13.06739531      8.67934635     -9.79949152
  H     18.07663315     10.31881313    -11.69743376
  O     19.26281849      7.57326755    -12.49649249
  H     13.88276614      7.45229676     -9.34006030
  H     16.61067581      8.25815752    -11.17050408
  O     15.95083864     12.63897563    -15.74314667
  H     13.46153295      6.25164986    -11.63313378
  H     17.67093322      7.25717236    -11.69374062
  O     15.06220950      9.46972985    -14.44602945
  H     12.84943026      7.59533242    -12.07812512
  H     15.53815728     10.23089857     -7.41335473
  O     10.50482438      9.69405059    -13.44216011
  H     14.23526096     11.89422407    -12.74411453
  H     14.87199069      9.35596564     -8.49108007
  O     11.39159224      7.39624972    -14.55962328
  H     14.62413754     10.44603240    -13.09436514
  H     14.69496306     10.74432104    -17.72692806
  O     18.87840054     10.35772253    -12.24808940
  H     17.49664130      9.53174065    -16.41042759
  H     15.13945086     11.44481100    -19.03277027
  O     16.75541655      7.32750082    -11.38890377
  H     16.65376898      9.76536602    -17.66227127
  H     11.70228312      9.47722058    -12.03169168
  O     15.64645879      9.91510835     -8.30568578
  H     14.98745967      5.13431514     -9.78343818
  H     13.13778122      9.94531300    -11.70143442
  O     15.43592152     11.20673487    -18.15846903
  H     15.47760433      6.36691968    -10.57708332
  H     14.63484408     13.03148430    -14.66264160
  O     12.46744301      9.28515966    -11.47541285
  H     16.10342116      7.58218590    -16.84469093
  H     13.81255336     14.14742141    -13.97903890
  O     13.90310469     13.20044718    -14.04157429
  H     15.60818936      6.68397722    -15.67634666
  H     13.15506432      9.02716027    -16.90986269
  O     13.50492249      9.91427662    -16.76816525
  H     19.56921494      7.35136796    -13.37365690
  H     12.85637943     10.44210422    -16.27618774
          69
 Energy    -248.31450592634036     
  O     -3.91985218     -0.02609296      2.97187238
  H     -3.20151040     -0.58501572      2.64196137
  H     -3.11819535      2.14003921     -1.83850629
  O     -0.99915920      3.66242868      2.61823479
  H     -3.49589708      0.68020378      3.47062587
  H     -5.93436570      3.89412458      0.07675334
  O     -1.69634165     -1.38149597      2.04569127
  H     -1.68594857      3.88944325      1.96542284
  H     -6.21169461      5.32099903      0.60299421
  O     -4.16416359     -0.65982186     -2.91085065
  H     -0.58046945      4.48110189      2.87050628
  H      0.06114731      2.20073815      2.00924249
  O     -1.86591884     -2.01419641     -1.84232860
  H     -1.12824926     -1.12947269      2.78329451
  H      0.17620228      0.97087198      1.06963951
  O     -4.65311389      0.69384159      0.39545967
  H     -1.42100836     -0.84664011      1.28618908
  H     -3.78053044      2.56499796      4.92635317
  O     -6.42117154      2.73427149      2.90307273
  H     -4.85792961     -0.98788933     -2.32015553
  H     -4.82970324      2.80613855      6.01854240
  O     -8.02862691      0.40634519     -0.46886458
  H     -3.34973782     -1.08875235     -2.62545817
  H     -2.77455352      3.50664559      0.10385295
  O     -4.42095214      2.00100360     -3.22772002
  H     -2.30782013     -2.48415276     -1.11164940
  H     -3.81888664      4.37276916      0.84412987
  O     -5.99010197     -1.36929275     -0.95445674
  H     -1.39902629     -2.67493230     -2.34745631
  H     -5.48842107     -0.97324155      3.06134640
  O     -5.75998562     -3.34522497      1.02937717
  H     -5.03264971     -0.09924937     -0.00540623
  H     -6.97685232     -0.78022382      2.71118393
  O     -2.70839264      2.03010340     -0.97310871
  H     -4.50193387      0.52072850      1.33177708
  H     -1.84420071      2.49443212      3.75423274
  O     -5.71056596      4.52845689      0.77894020
  H     -5.82915123      2.81715345      3.66239910
  H     -1.55782662      1.12824985      4.41141527
  O      0.52768534      1.36511827      1.87865345
  H     -6.14975018      3.39798665      2.26030848
  H      0.61579881     -0.38807848      4.55583972
  O     -4.67096833      2.91316472      5.08330042
  H     -7.60914725      1.22097855     -0.77113688
  H      0.20594891      0.41108903      3.29272447
  O     -2.87619073      4.18190316      0.78902151
  H     -8.11310359      0.49468515      0.49008094
  H     -7.48638369      1.43153528      2.55848949
  O     -6.30486691     -1.45460251      2.86829625
  H     -4.39707213      2.22976925     -4.15232357
  H     -8.89027445      0.85325155      2.84763516
  O     -2.22908820      1.81578388      4.32673105
  H     -4.34471465      1.02937377     -3.17720450
  H     -3.91729246     -3.28812716      0.58190781
  O     -0.13748628     -0.11266530      4.04090498
  H     -6.00583243     -2.12342501     -0.35419070
  H     -2.56051212     -2.69894695      1.04592708
  O     -8.08860721      0.69214257      2.35680511
  H     -6.80651627     -0.86089336     -0.83115420
  H     -1.44157864      0.83269056     -0.51409344
  O     -2.99486415     -3.17556311      0.32550415
  H     -5.97995044     -2.70857421      1.73376140
  H     -1.08314678     -0.63008686     -0.83709493
  O     -0.89601784      0.08884592     -0.22021077
  H     -6.24174523     -4.14517247      1.22049852
  H     -5.70513364      1.89447136     -0.42417491
  O     -6.15359970      2.51439965     -1.02326743
  H     -3.34766893      1.51991653     -0.44739615
  H     -5.68382984      2.44495481     -1.86342044
          69
 Energy    -248.31435903374114     
  O     13.79415416      3.33094672    -11.09627512
  H     13.74401993      2.36657381    -11.11129322
  H     13.51195980      9.65454697    -10.47737469
  O     13.08314148      4.10790330    -13.70107058
  H     13.49934885      3.63955953    -11.96423098
  H     15.34694431      7.77438352    -12.03435529
  O     16.53545470      3.68399197    -10.79488451
  H     12.38418699      4.76669056    -13.78307064
  H     14.00775021      7.01164342    -11.71477048
  O     18.38493704      7.82478556    -10.73222074
  H     13.90047823      4.55220210    -13.97357683
  H     11.75417838      6.68474365    -12.02294199
  O     12.91098207      8.50801349    -14.29048753
  H     15.57900780      3.58091839    -10.91316769
  H     12.18929249      6.24979421    -10.57410326
  O     14.20276954      1.53423619    -14.12541596
  H     16.64950179      4.47573646    -10.25637098
  H     15.95211328      1.51454542    -14.30309699
  O     14.02174461      0.54789617    -11.43771151
  H     17.76972496      7.24124932    -10.25849326
  H     17.20445200      0.92156316    -14.99121383
  O     16.41107779      9.29799342    -12.15951690
  H     19.11612510      7.99318235    -10.14310293
  H     10.47807581      6.48592001    -14.21495990
  O     15.38886567      5.50324291    -14.22510337
  H     13.20947680      9.14572611    -13.63261505
  H     11.87323614      7.13162426    -14.03622619
  O     17.30761601      8.76734698    -14.64259727
  H     13.65470491      8.33398177    -14.88105722
  H     15.88721291      6.37141555    -10.51663803
  O     18.69020154      6.69184012    -13.41963030
  H     13.71397377      2.36681515    -14.10334972
  H     15.81609923      6.53333528     -8.98871363
  O     13.26235537      9.03926711     -9.78111961
  H     14.01371021      1.09608025    -13.28606229
  H     17.49539788      3.18933036    -13.76317558
  O     14.94156832      6.90243260    -11.93726243
  H     13.74573003     -0.24703421    -10.99050088
  H     17.27465736      3.95874842    -12.44051452
  O     12.20786219      6.96934761    -11.22387738
  H     14.99367541      0.58460490    -11.37961352
  H     16.93313756      1.02343359    -12.39288453
  O     16.92524725      1.48659321    -14.27583173
  H     17.11506295      8.97418855    -11.58748115
  H     16.81512439      1.83082424    -11.08697903
  O     11.33799742      6.34357548    -13.82832770
  H     16.73219045      9.20967718    -13.07304072
  H     14.98841276      7.31954295    -16.85956059
  O     16.39716734      6.23781922     -9.70068926
  H     16.18663169      4.98511023    -14.06209515
  H     15.18443303      6.78346607    -15.42140074
  O     17.58011018      4.05948097    -13.35412241
  H     15.23189293      6.01938461    -13.41756878
  H     13.26501565      5.63359895     -8.79566629
  O     16.71195941      0.94316372    -11.45655320
  H     16.60787271      8.42128820    -15.20701181
  H     13.08099446      4.43951749     -9.78168552
  O     15.04558946      7.59068573    -15.94672832
  H     17.84271592      8.00981745    -14.35668217
  H     14.15419700      7.42520436     -7.17920523
  O     12.60894879      5.11473052     -9.27404435
  H     18.68082408      6.98942071    -12.50286850
  H     14.00699820      7.90226945     -8.63985802
  O     14.35338679      7.18459297     -8.08033698
  H     18.44048880      5.75979723    -13.40962290
  H     14.86500026     10.12028217    -12.22212393
  O     13.93022596     10.38388533    -12.27850119
  H     12.71391293      8.38083023    -10.23586398
  H     13.92355409     11.32010166    -12.46421711
          69
 Energy    -248.31433870776812     
  O     11.70668192     15.06673929    -13.29787911
  H     11.42246959     14.15877527    -13.14692697
  H     15.21671572      8.98190325    -13.39578449
  O     14.59788421     15.78770154    -16.54072110
  H     11.75682006     15.16668820    -14.25674123
  H     17.97485220     12.99263969     -8.98488703
  O     14.75179832     11.94465070    -14.82456178
  H     15.14570987     15.91932590    -15.75526248
  H     17.26582745     13.83266821    -10.07434225
  O     12.35662149     12.38272812    -16.05949998
  H     15.12164439     15.25337338    -17.14881980
  H     17.38306410     11.29115844    -13.12960728
  O     14.78925596      9.28304187    -17.43719808
  H     15.08159605     11.03768510    -14.81855306
  H     17.68276732     12.07770350    -14.45134493
  O     16.14889622     13.94583673    -18.10135183
  H     15.48577455     12.51007561    -15.09891845
  H     13.37374509     15.42545587    -12.53162299
  O     16.32396158     11.21449062    -11.56901381
  H     12.17740707     13.32858797    -16.14481809
  H     14.29128222     14.27515351    -12.14297802
  O     12.01367533     15.13854441    -16.15485394
  H     13.21792062     12.27966536    -15.61842496
  H     15.47732243     15.60747059    -13.53131669
  O     16.58209406     15.35806224    -10.59396240
  H     13.96091769      9.28419350    -16.92253734
  H     16.97668319     15.96158429    -13.73850853
  O     16.96928311     13.42629651    -15.47436447
  H     14.74004696      8.53944733    -18.03277580
  H     12.25192841     10.48001906    -16.11221423
  O     18.47738677     15.98069359    -12.66890003
  H     16.55223353     14.08370718    -18.95404814
  H     12.35605054      9.37455546    -15.04911787
  O     14.74765058      9.04893729    -12.55199765
  H     15.49079129     13.23639929    -18.21006837
  H     11.58566556     12.22709058    -14.24510786
  O     17.72813226     12.99194891     -9.90566986
  H     15.48497951     11.68462828    -11.68915831
  H     11.52675809     11.14768298    -13.16159684
  O     17.96402761     11.32851379    -13.90510666
  H     16.81511519     11.71141595    -10.90395589
  H     15.91487486      9.36817904    -15.87976008
  O     14.27380957     15.23928554    -12.23337353
  H     11.46214005     15.70716781    -16.68577819
  H     16.91190385      9.95407583    -14.79609804
  O     16.15939950     15.74497691    -14.20494642
  H     12.93457932     15.42161070    -16.30035438
  H     13.04776243      9.25424185    -12.87627235
  O     12.50106550      9.55539501    -15.98562234
  H     15.71867133     15.43048296    -11.02059599
  H     11.63745403      8.64222656    -12.72935471
  O     11.41898920     12.09861255    -13.30328346
  H     17.21961908     15.71912389    -11.22225496
  H     14.53532044     11.06733494    -18.04338725
  O     16.09559788      9.45619822    -14.93674835
  H     16.84674294     13.58804485    -16.41833241
  H     13.51578845     12.15574411    -17.67002050
  O     12.11797604      9.35143440    -13.14918679
  H     16.74246924     14.24598226    -15.01159178
  H     19.01403938     12.64885070    -12.87891248
  O     14.28444816     11.98218361    -18.22416620
  H     19.24239912     16.54916478    -12.64934649
  H     18.84814790     13.18212670    -11.44268271
  O     19.23099653     13.39159635    -12.30461476
  H     18.80477991     15.06563255    -12.60352439
  H     13.05038091     12.39615103    -12.34219441
  O     14.00509318     12.50107339    -12.26489786
  H     15.28748588      9.64672509    -12.02127641
  H     14.33206026     12.32283287    -13.16141275
          69
 Energy    -248.31431761798240     
  O      2.44785617      5.21118757      1.97746051
  H      2.75058845      4.46112973      1.43398006
  H     -2.95397487     -0.05349180      3.44127090
  O      3.41659810     -0.20622217      2.51893873
  H      2.71488396      6.00568320      1.52321324
  H      0.39809650     -0.60936157      3.10346067
  O      0.79210984      1.69340530      1.21077024
  H      3.37351461     -0.48397482      1.59682128
  H     -0.98878549     -0.46445280      2.39192809
  O     -2.59071020      2.92948211     -0.42719897
  H      4.09339423      0.48007376      2.56719168
  H      3.77856596     -1.61105369     -0.59346786
  O     -2.49983331      3.00989120      2.44169484
  H      0.64314616      0.81625906      1.58590228
  H      2.29984578     -1.32391677     -0.24478109
  O     -0.23158104      1.74533633     -1.33889869
  H      1.73869454      1.86746523      1.14788778
  H     -3.24742480      1.63618476      5.24341092
  O     -3.29998719      0.14930260     -0.15750494
  H     -2.92213170      3.58607743     -1.03539693
  H     -2.96230121      2.82997415      4.30509952
  O      3.30780863      2.97111756      0.68992777
  H     -1.75002723      2.61184027     -0.79549860
  H      0.59352110      2.71473128      5.73416240
  O      5.15426852      2.02261893      2.58908911
  H     -1.63481853      3.41300488      2.60922483
  H      0.77688974      3.10173843      4.24591855
  O     -1.36154210     -0.81598233     -1.78152098
  H     -2.63687333      3.07095854      1.48864223
  H      2.21667943     -0.20022142      3.85572781
  O     -0.83726023      2.56500258      6.88810100
  H      0.12471507      1.69793879     -0.43693649
  H      1.43059861      0.88890542      4.63288988
  O     -2.65528191      0.20867975      2.56159489
  H     -0.54465486      0.86023513     -1.56864093
  H     -3.79297419     -0.91102151      5.71003979
  O     -0.06942979     -0.73501590      2.26668928
  H     -3.24756824      1.10280532     -0.29416600
  H     -2.35037965     -0.35959372      5.59303672
  O      3.19328226     -0.93412758     -0.26299171
  H     -3.17421689      0.01920118      0.79249995
  H     -0.69064390      0.65940172      6.58945058
  O     -2.99762626      2.56917822      5.23329516
  H      3.23310883      2.54809756     -0.17807887
  H      0.06072429     -0.33902832      5.68465595
  O      1.21793296      2.68384343      4.99890143
  H      4.04302673      2.57882105      1.17598422
  H      2.86673093      0.66300285     -1.20161477
  O      1.46751886     -0.06129492      4.45517342
  H      6.08305512      2.09123625      2.79095741
  H      1.76259379      1.62518080     -1.70747013
  O     -3.25271798     -0.28880309      5.23141966
  H      4.68536532      2.60771793      3.21193684
  H      0.28861282      3.06762390      2.16165014
  O     -0.73453574     -0.23248398      6.22267107
  H     -2.10338366     -0.56448712     -1.20259874
  H      0.78341133      4.49404585      2.49372874
  O      2.71120610      1.54962051     -1.55648073
  H     -1.74198519     -1.22840739     -2.55239096
  H      0.39349782     -1.60677885      0.75888862
  O      0.10586954      3.84480845      2.71642113
  H     -1.04263518      3.01068897      7.70532643
  H     -0.01334882     -1.60994800     -0.73170678
  O      0.68686393     -1.87514143     -0.12467035
  H     -1.61951228      2.65249103      6.31441987
  H      2.90978457      3.33070462      4.57256970
  O      3.67677474      3.70650076      4.11913091
  H     -2.57711698      1.17327512      2.56247418
  H      3.32090317      4.36657099      3.51238086
          69
 Energy    -248.31428125665877     
  O     12.18582134     10.78988572    -15.51627046
  H     12.53736355     10.06513480    -16.05540251
  H     15.58116232      5.75729209    -14.81854643
  O     15.54024861      6.56630880    -13.16169144
  H     12.87129471     11.46511863    -15.50698868
  H     19.44449510      7.12001928    -13.63200470
  O     17.22409685     10.57333083    -11.92335704
  H     16.26890092      6.90858474    -12.62709274
  H     20.46927386      6.54673523    -12.63806780
  O     17.65437429     10.11835856    -14.63250136
  H     14.74833459      6.64184146    -12.61267809
  H     17.41639728     12.02887552    -17.20889411
  O     12.70229991      6.05727178    -16.14126859
  H     16.34601330     10.81547331    -12.25122397
  H     17.15845766     11.13060836    -15.97731013
  O     14.58875154      9.81453402     -9.12928997
  H     17.26206536     10.89586913    -11.01137644
  H     14.58944957      8.79053319    -15.35995818
  O     13.44039079      7.08222785    -11.40579110
  H     17.73418236     10.37151021    -13.70350876
  H     15.27432359      8.03461910    -14.17316622
  O     14.72016830     11.06835933    -13.05508796
  H     16.83186948      9.60502621    -14.69650888
  H     11.34395533     10.09515059    -14.17011313
  O     17.33220527      6.85537757    -17.26117622
  H     12.05371055      5.45294608    -16.49209207
  H      9.98279814      9.90095388    -13.46186321
  O     15.53132463      7.13031514     -9.50289832
  H     12.37672733      6.34053504    -15.26740725
  H     11.45399328      7.84084226    -13.68099867
  O     19.09956561      7.78450768    -15.22942653
  H     13.89370065      9.88883087     -9.79453230
  H     12.30206131      6.82085859    -12.90212588
  O     15.48232445      5.57323308    -15.76288943
  H     14.87390549      8.89253764     -9.14490808
  H     18.19303114      7.45676746    -11.79089553
  O     19.56767691      6.84772283    -12.70648759
  H     13.24240232      8.03075424    -11.40734094
  H     17.34404337      8.75602980    -11.59041814
  O     16.72574737     11.58778540    -16.71954229
  H     14.04071490      6.94229304    -10.66315594
  H     16.04692019     10.83437636     -9.19232037
  O     15.19773760      8.88794165    -14.61843818
  H     14.60386409     11.77279201    -13.70081261
  H     16.99392285     11.85829178     -8.54268957
  O     10.90016782      9.64282388    -13.43013862
  H     14.80344137     10.25404691    -13.57891650
  H     16.40352070      8.40364106    -17.80276004
  O     11.83849801      6.95738015    -13.73738530
  H     17.64567063      6.24564643    -17.92481789
  H     16.15649405      9.93090926    -17.67845575
  O     17.36000944      7.80239189    -11.43641444
  H     16.67100507      6.37285800    -16.73280246
  H     12.08897098      9.80613603    -11.98178042
  O     16.88356590     11.31437227     -9.31717068
  H     16.23875208      7.34864829    -10.13414288
  H     13.52933362     10.34110520    -11.91776744
  O     15.80789585      9.11965387    -18.06230940
  H     15.91081795      6.53723797     -8.85979363
  H     14.37052553     13.54768772    -15.63837345
  O     12.87629188      9.82375436    -11.42366068
  H     18.73197199      8.66005101    -15.05096821
  H     15.20206966     12.28104643    -15.92469038
  O     14.44520884     12.62069861    -15.42287225
  H     18.55786187      7.41576740    -15.93693977
  H     13.17528029      7.76419617    -16.73865339
  O     13.43002202      8.69268816    -16.79515847
  H     14.53765545      5.64209353    -15.94506936
  H     14.19244490      8.78119049    -17.38722138
          69
 Ord_Energy   -248.314117    
 O   -3.06715989       1.32249901E-02   2.30349231    
 H   -3.66736674     -0.522492468       2.83540535    
 H   -2.35376000     -0.576390088       2.01634860    
 O    1.51327074       1.16679537      -3.34468007    
 H    1.14143026      0.349869579      -2.98819256    
 H    2.31406736       1.31753039      -2.83005095    
 O   -2.36947632       1.76663435      -2.72807765    
 H   -3.07709241       2.29111338      -2.33007503    
 H   -1.76047790       2.35690594      -3.18788099    
 O  -0.227187634       3.21340799      -3.82053566    
 H   0.411575645       2.48998666      -3.69134116    
 H   -7.36275390E-02   3.56111479      -4.69515371    
 O   -3.60893416      -4.03901196      -4.32177410E-02
 H   -3.80046988      -4.79729891     -0.589838624    
 H   -2.88192677      -3.56346798     -0.478426307    
 O    3.63064766       1.35129726      -1.39368689    
 H    3.50835586      0.492440194     -0.956297159    
 H    4.57091761       1.48718643      -1.47988760    
 O   -1.08600616      -1.76533902       1.52577889    
 H   -1.24327397      -1.94830918      0.590477228    
 H   -1.50211632      -2.48537731       2.02369332    
 O   -1.64289689      -2.46916151      -1.15490973    
 H   -2.29838943      -1.89077914      -1.58084965    
 H  -0.781111002      -2.16681910      -1.46494484    
 O   -3.43701243     -0.771093369      -2.23472786    
 H   -3.04472756       2.27756891E-02  -2.62062216    
 H   -3.94960427     -0.449608237      -1.48068404    
 O   0.647562563     -0.988331735      -1.69183064    
 H   0.164769456     -0.291048765      -1.21740210    
 H    1.46904886      -1.13189185      -1.20923674    
 O  -0.705927968       1.14357340     -0.569749475    
 H   -1.10106301       1.47077870      0.247483611    
 H   -1.30566692       1.37159109      -1.29269695    
 O   -4.40524864       2.96839690      -1.18718231    
 H   -3.75644946       3.50246954     -0.691504955    
 H   -5.12945271       3.54740834      -1.40810597    
 O   -2.48073506       4.27819872      0.117424771    
 H   -2.19570756       3.68753052      0.827513158    
 H   -1.68551946       4.50612783     -0.384592712    
 O   -1.60921144       2.27324033       1.85348797    
 H  -0.754743159       2.23743439       2.29934812    
 H   -2.15728259       1.54667914       2.18286490    
 O    1.10410726       2.16430306       2.61465168    
 H    1.59079063       2.72332335       3.21492267    
 H    1.34165037       2.44168448       1.71265340    
 O    1.41785777     -0.596887290       1.90794444    
 H    1.28894842      0.288115144       2.26550341    
 H   0.545046926      -1.00939083       1.83904696    
 O   -4.68458462      0.378987283       3.86472000E-03
 H   -4.66862535       1.28326201     -0.331903279    
 H   -4.10869408      0.347932279      0.780015767    
 O  -0.115933150       4.64517450      -1.32437634    
 H   0.562323809       4.15001154     -0.849435985    
 H  -0.145527765       4.25664711      -2.20706773    
 O   -5.59975672      -2.16010022      0.868002295    
 H   -5.44156122      -1.29952919      0.457590640    
 H   -4.99160528      -2.78389740      0.452239841    
 O   -4.80658245      -1.88700521       3.44376707    
 H   -5.19201612      -2.01211166       2.55688190    
 H   -5.52568722      -1.93523121       4.06713581    
 O   -2.69351530      -3.68027806       2.65463233    
 H   -3.04544640      -3.95743155       1.79818690    
 H   -3.39928436      -3.17284918       3.07443452    
 O    1.54388392       2.69077015      -4.32332195E-02
 H   0.789893806       2.15311861     -0.333984613    
 H    2.32173133       2.34578633     -0.495920897    
 O    3.06059527      -1.05352187     -0.143764064    
 H    2.50382447     -0.887333870      0.640541017    
 H    3.53369975      -1.86455560       2.11532097E-02
          69
 Energy    -248.31367058109410     
  O     12.27737523     11.06118670    -15.41293397
  H     12.93613061     11.75101321    -15.26972181
  H     14.54550934      5.67191464    -15.63386644
  O     15.12508452      6.80513511    -12.88072350
  H     11.88666749     10.85802424    -14.55410351
  H     18.64860261      6.73702460    -14.65805322
  O     17.61079050     10.38652014    -12.14530105
  H     15.96525703      7.04358369    -12.46556900
  H     17.45973238      5.79373510    -14.44603657
  O     17.73124024      9.90034723    -14.87462251
  H     14.43622997      6.97332538    -12.22713847
  H     15.95081178     10.91612684    -17.25445097
  O     12.66911573      6.32838992    -15.69343028
  H     16.73426755     10.73712081    -12.36073610
  H     16.89935925     11.13924527    -16.06190424
  O     15.25979337     10.11954240     -9.07339414
  H     17.81710892     10.72316908    -11.26168025
  H     14.48347383      8.93474097    -15.25420303
  O     13.35551566      7.48789681    -10.89142927
  H     17.90536569     10.15783682    -13.95962357
  H     15.06845764      8.20299246    -14.00653732
  O     15.06107908     11.20362971    -12.94097419
  H     16.84766616      9.49845730    -14.87033759
  H     11.24874496      9.20229211    -13.10952506
  O     16.70437818      7.32567835    -17.25249967
  H     12.81694713      7.20578088    -16.08768652
  H     10.15840421     10.26091707    -12.82605590
  O     15.83085918      7.33055748     -9.46106383
  H     11.98014053      5.91353634    -16.20766159
  H     12.14255099      7.27135241    -12.41474542
  O     19.19923167      7.92114265    -16.01530820
  H     15.43387374      9.17072177     -9.10769957
  H     12.04994769      7.01962479    -13.94829967
  O     15.46139091      5.65807173    -15.33177625
  H     14.48754169     10.26875418     -9.63169706
  H     17.58957293      8.56026400    -11.84714762
  O     18.18058703      6.22940436    -13.98231613
  H     14.07121374      7.30121088    -10.27129284
  H     17.88971438      7.12522183    -12.40785943
  O     16.24718171     11.58089188    -16.62066146
  H     13.28842695      8.45415211    -10.93417165
  H     16.83819655     10.91246299     -9.32459758
  O     15.13011809      9.00315204    -14.54358640
  H     14.87454217     11.94761962    -13.52489887
  H     17.95918564     11.86236656     -8.86787066
  O     11.09603949     10.15388359    -12.96640962
  H     15.01063597     10.41302318    -13.50274357
  H     15.88267194      8.65980132    -17.96034442
  O     11.65833640      7.50734369    -13.21537266
  H     16.27942295      6.73609683    -16.61526718
  H     15.46723108      9.40254510    -19.25405942
  O     17.48391706      7.61395049    -11.67622312
  H     17.61217991      7.44582521    -16.95094190
  H     12.41348721     10.34127716    -11.61068127
  O     17.72211571     11.24616630     -9.55503663
  H     16.48807281      7.40097525    -10.17300038
  H     13.91464095     10.65442379    -11.68017160
  O     15.38983753      9.42810408    -18.30410349
  H     16.20218178      6.74307532     -8.80715090
  H     14.47037167     13.84276866    -15.27794915
  O     13.23298586     10.27377524    -11.10591333
  H     20.06201005      8.20620574    -16.30317730
  H     15.09089078     12.48110786    -15.67055224
  O     14.44768570     12.91099152    -15.07821765
  H     18.75814477      8.69663087    -15.62474886
  H     13.86810123      9.07920618    -17.30517626
  O     13.23447584      8.83143024    -16.62070265
  H     15.38558348      5.94887752    -14.40985968
  H     12.81685057      9.63888088    -16.28006719
          69
 Energy    -248.31340336143353     
  O     10.02059448      6.11937298    -12.85000486
  H     10.35255717      7.01369474    -12.99369088
  H     16.16290048      5.70547911    -14.04456348
  O     13.26860617      4.79898606     -8.34718417
  H     10.46426367      5.57232292    -13.50804908
  H     14.53283817      6.01078108    -12.46586999
  O     16.78290640      8.58886803    -12.66510301
  H     14.14826914      5.10179037     -8.60273271
  H     13.49235810      4.98542213    -11.94633357
  O     17.31119235      4.28006998    -14.12234836
  H     12.71129678      5.58669383     -8.29754007
  H     10.60666974      4.46213856    -10.20636233
  O     12.78995321     10.91139203    -13.74468754
  H     16.03273355      9.08869825    -12.30398138
  H     10.04093981      5.57178237    -11.13465041
  O     11.41889482      6.96810035     -8.53272504
  H     17.01572888      8.99254547    -13.51372990
  H     16.07415557      9.57332180    -15.43084961
  O     13.09827347      7.00851053    -15.01886703
  H     17.83177029      4.43883396    -13.31427709
  H     17.45342581     10.09465319    -15.86883262
  O     15.47265756      2.63969116    -12.62321921
  H     17.92800258      4.03539960    -14.80687261
  H     12.28474509      7.81814181     -9.94363399
  O     18.53075131      4.69651635    -11.74232002
  H     12.22821837     10.13481631    -13.57891077
  H     13.14935096      7.22826640    -11.08452002
  O     16.81254767      3.08397015    -10.13251146
  H     12.20893830     11.66660218    -13.78220386
  H     18.37053951      7.78099543    -10.06531547
  O     15.69997597      5.54006097     -9.61212556
  H     10.82811106      7.32526133     -7.87582257
  H     17.47631184      7.71415846    -11.32090679
  O     15.53194295      6.41225302    -13.86250567
  H     10.88140222      6.40267138     -9.11985254
  H     14.07527213     10.37734527    -12.38859076
  O     13.96827732      5.78997538    -11.71171477
  H     13.98042813      6.79150029    -14.68160512
  H     13.98007177      9.32825720    -11.26464966
  O     10.14168692      5.30496608    -10.20861655
  H     12.60112218      6.18172795    -15.03023182
  H     13.83214958     10.09644451    -15.11943824
  O     17.01429882      9.60053705    -15.18260031
  H     15.91355469      2.67542105    -11.76530810
  H     13.86128036      8.66130343    -15.66945927
  O     12.74036762      8.04595844    -10.76146871
  H     16.05202262      3.11046799    -13.23372356
  H     11.64261531      2.28491555     -9.39328642
  O     17.80522050      7.19710548    -10.56505042
  H     18.38554936      5.56718807    -11.35116315
  H     12.43373229      3.61229395     -9.33909766
  O     14.59952540      9.90595740    -11.73093941
  H     18.09824218      4.06468141    -11.15378825
  H     12.09555033      7.99615665    -13.84060089
  O     14.31975609      9.50922992    -15.71049465
  H     16.38874423      3.91713094     -9.86517328
  H     11.90327122      8.37193061    -12.33608905
  O     11.91970842      3.02746519     -9.92380552
  H     16.89872758      2.55322283     -9.34488353
  H     11.32543299      3.93772921    -15.27989004
  O     11.55333733      8.51657426    -13.22833621
  H     16.40355319      6.17397012     -9.79429674
  H     12.07073347      4.09204391    -13.93464246
  O     11.65515505      4.58580075    -14.66230295
  H     15.07233668      5.61456905    -10.34917369
  H     12.48986491      3.12387294    -11.66300552
  O     12.84534392      3.36036889    -12.52942163
  H     16.01572445      7.17465660    -13.51626837
  H     13.75019545      3.01490119    -12.59419013
          69
 Energy    -248.31304057064196     
  O     11.43610841      9.01468879    -15.36640155
  H     11.21927091      8.45049269    -14.61450607
  H     16.86316971      6.42692821    -15.31907867
  O     16.54288078      6.86401489    -13.52339764
  H     11.58199426      9.90297804    -15.01822744
  H     19.55768960      9.26945508    -13.71586999
  O     16.03108647     10.63549378    -11.50593449
  H     17.02907142      7.31015390    -12.81955413
  H     20.43315344      8.10054816    -13.24749236
  O     16.56859294     11.18554371    -14.19005207
  H     15.97751828      7.54331258    -13.92669753
  H     15.22666406     11.88419858    -15.24451141
  O     14.03128671      5.58742979    -16.56778787
  H     15.12646284     10.45025753    -11.79537963
  H     14.66663321     11.50003525    -16.62751206
  O     14.30618623      8.38044868     -8.83514884
  H     15.96888805     10.84154272    -10.56178271
  H     15.56526266      9.63816413    -14.61710383
  O     14.65582803      5.83267430    -11.80521957
  H     17.46943233     10.96499148    -14.45378652
  H     14.55139060      8.70261246    -15.37026801
  O     13.52171059      9.98049537    -12.54166290
  H     16.51194028     11.11772966    -13.22675057
  H     10.06861404      6.94491762    -12.86896829
  O     17.50798658      9.02588722    -16.94308581
  H     13.76673701      4.80800278    -17.04927677
  H     11.45882084      7.42460636    -12.39774149
  O     16.35554851      6.55646551     -9.64015636
  H     13.67167466      5.49321927    -15.66766521
  H     13.51740815      5.38374388    -13.26816171
  O     19.05883192     10.27650602    -15.16469845
  H     13.61893712      8.19879402     -9.48659390
  H     12.22277953      5.97573895    -13.85578273
  O     16.78064970      6.42737745    -16.28262882
  H     14.99619255      7.72430158     -8.99532461
  H     18.43725251      8.49355317    -11.79057983
  O     19.79299631      8.73884014    -12.93998483
  H     15.29445999      6.11372831    -12.47888935
  H     17.07090014      9.12973474    -11.38471051
  O     14.45645165     11.98571578    -15.82134721
  H     15.14546532      5.86304223    -10.97515469
  H     15.07655563      9.98818440     -8.75878887
  O     14.99821571      8.85998581    -14.53074380
  H     13.98230595      9.48760913    -13.24029555
  H     15.42772410     11.27725591     -7.99492142
  O     10.92584186      7.22149503    -13.18414076
  H     12.98166887     10.63401524    -13.00046395
  H     14.95138597     10.36840770    -18.93422681
  O     12.98355515      5.42357069    -14.07114507
  H     17.26836928      8.10088790    -16.78351980
  H     14.51522146      9.53586777    -17.70614851
  O     17.59495043      8.31741665    -11.34785440
  H     16.74991360      9.44944286    -17.35896279
  H     12.98652673      8.59851331    -11.57227451
  O     15.55869161     10.83004318     -8.82604080
  H     16.99082953      6.11467056     -9.08262031
  H     13.37916456      7.09834787    -11.38468202
  O     15.11654359     10.24185930    -18.00324369
  H     16.85666347      7.17697093    -10.19756013
  H     11.67549743     12.41532925    -14.37983251
  O     12.71272366      7.76389901    -11.15938626
  H     19.64849512     10.85717962    -15.63853451
  H     12.97132847     11.77675093    -14.93124722
  O     12.17967338     11.60642910    -14.38914222
  H     18.54141280      9.79093705    -15.83481205
  H     12.73935515      8.53694255    -16.43558977
  O     13.56496482      8.32103573    -16.89794495
  H     15.90166677      6.07353862    -16.45971975
  H     13.67812980      7.36262488    -16.88818895
          69
 Energy    -248.31303335799404     
  O     10.83026991      9.07219604    -12.17084413
  H     11.71931126      9.43186143    -12.06803869
  H     15.10504205      3.94419180    -10.15224049
  O     11.74702048      4.33666033     -9.23104928
  H     10.82402386      8.65584854    -13.04031890
  H     15.95369157      6.27191928    -13.75418793
  O     17.28911006      7.08280303    -12.86627058
  H     12.60094350      4.00368615     -9.53515077
  H     15.44168856      4.95837912    -14.39896788
  O     16.83841361      4.63301196     -9.76062883
  H     11.91907044      5.17230733     -8.77994137
  H     12.50538062      5.59384680    -12.49569792
  O     15.81228731     11.25007115    -11.95687178
  H     17.16680493      7.93101739    -13.31656716
  H     14.01118303      5.75125540    -12.85634549
  O     11.99044352      7.02023132     -8.22847765
  H     17.05729482      7.21712921    -11.93794512
  H     10.25938672      8.10546765    -10.75165294
  O     13.87668303      8.30697424    -14.51846628
  H     16.79936250      5.60253491     -9.82466267
  H      9.76587882      6.68666015    -10.35602975
  O     11.67099200      2.82304265    -14.17682326
  H     17.31894894      4.43148970     -8.96114790
  H     13.64354867      6.92803012    -10.86534351
  O     17.56923364      9.91362306    -10.21419994
  H     15.56035999     12.16482847    -12.05364527
  H     13.28441498      7.44568413     -9.43942221
  O     16.22743877      3.24078119    -14.28700241
  H     14.98700011     10.73370772    -11.94152832
  H     17.86862145      5.30130016    -12.64954399
  O     13.98343031      2.21951604    -12.86300587
  H     11.77590823      7.35197488     -7.36143643
  H     17.57067667      4.31505480    -11.50830389
  O     14.22097695      3.70282377    -10.45087400
  H     11.25128526      7.26578961     -8.81740210
  H     15.63811486      7.45273119    -10.09215681
  O     15.19103517      5.86666943    -14.19530818
  H     12.93854196      8.14464814    -14.67895726
  H     16.99626142      8.21625502    -10.04581431
  O     13.38334261      5.73392399    -12.12165193
  H     14.30441776      7.43892015    -14.53636827
  H     15.63064564      9.19058853    -14.42243392
  O     10.04411573      7.53687694     -9.99768621
  H     11.36570547      2.03082632    -14.60985736
  H     16.36960693     10.13742033    -13.45880863
  O     13.87447047      7.58511509    -10.18956664
  H     12.48413133      2.57336587    -13.70527199
  H     10.39002577      4.58059007    -10.29579841
  O     17.85352586      4.35960641    -12.42944480
  H     16.98292722     10.42947611    -10.78764599
  H      8.91369074      4.27371742    -10.63943130
  O     16.59926815      7.33915409    -10.13759362
  H     18.44777978     10.25745203    -10.36114146
  H     13.71897285      8.95936358    -11.32878713
  O     16.50845243      9.42940676    -14.09841844
  H     16.85870044      3.56100787    -13.61756737
  H     13.74101482      9.14221250    -12.87874652
  O      9.65000806      4.83006681    -10.87887707
  H     16.73756120      2.77881155    -14.94692925
  H     10.50430156      7.67625716    -15.38819112
  O     13.64694104      9.61437485    -12.03858642
  H     14.76995093      2.49599362    -13.34938762
  H     11.01048407      6.78529737    -14.23092200
  O     11.12053102      7.65120287    -14.66037532
  H     14.08393098      2.56357846    -11.96671717
  H     10.37984335      5.13225646    -12.52055911
  O     10.90396917      5.28095582    -13.31846846
  H     13.93288805      4.40777904    -11.05258225
  H     11.13253482      4.41262163    -13.68617261
          69
 Energy    -248.31302668146407     
  O     19.75328095      9.69629096    -13.85848977
  H     19.02403301      9.49489535    -14.45506001
  H     20.81800426      6.39529986    -13.14845896
  O     20.79666657      7.15365327    -10.08383844
  H     20.15064098      8.85421908    -13.59323533
  H     20.07062715      3.73602095    -12.18237830
  O     14.51100035      8.82104910    -10.98981014
  H     20.20481834      7.85301117     -9.76779918
  H     18.76163840      3.07031700    -11.70739707
  O     14.53827701     10.34276959    -15.64785406
  H     20.50611634      6.33855059     -9.66183635
  H     18.92089053      7.07880838    -12.30332678
  O     17.08975036      9.21452402    -15.05091435
  H     14.44933222      7.97932544    -11.46717871
  H     17.53939527      7.78494453    -12.23765512
  O     13.59882551      7.68220976    -16.17223555
  H     14.97827982      8.65187156    -10.16171329
  H     16.56570336      5.96971865    -14.86108065
  O     17.28904568      5.93998934     -9.69778955
  H     14.25607360     11.17831696    -16.01094560
  H     16.41461536      7.50532986    -15.06145869
  O     14.31912174      6.55993579    -12.65331501
  H     14.10350037     10.25753380    -14.78075153
  H     16.05384803      8.27655518     -7.86991774
  O     19.69765336      4.68779333     -9.05029599
  H     16.98374488      9.33006040    -14.09205736
  H     16.57277247      7.40638746     -9.03817897
  O     15.39069046      4.44297352    -11.12604826
  H     16.33581187      9.67844892    -15.43537967
  H     19.60813929      4.70917985    -14.05807910
  O     17.02131704      2.74102392    -12.41894429
  H     13.86841750      8.60921059    -16.18030943
  H     20.98256314      4.25438727    -14.60273490
  O     20.66918799      7.27295032    -12.77996299
  H     14.38791818      7.19235509    -15.89919774
  H     12.64884163      9.13329708    -13.49031566
  O     19.63233355      3.36204180    -11.40934201
  H     18.05922424      5.49195082     -9.32783778
  H     13.58290365      9.72247298    -12.42639206
  O     17.97499958      6.92556506    -12.17257931
  H     17.56240657      6.27964105    -10.56527326
  H     18.05829505      8.99880402     -9.22165789
  O     15.92115926      6.67560583    -14.98914760
  H     14.92330015      6.61680322    -13.40654554
  H     19.02090356      9.84107763    -10.08822757
  O     16.22307639      8.28506138     -8.80925055
  H     13.43662827      6.72347634    -13.01021795
  H     19.25310861     11.90230268    -11.59911191
  O     20.55154012      4.62722091    -13.83757322
  H     19.71843439      4.17204954     -9.87673935
  H     19.33578279     10.58340077    -12.40480884
  O     13.19763470      9.90295279    -13.29211281
  H     20.10773525      4.14942292     -8.37911190
  H     17.80335802      5.59642783    -13.35204212
  O     18.98921583      9.16223947     -9.40241027
  H     14.93413713      5.12357221    -11.63772315
  H     17.48448404      4.09258996    -13.58761332
  O     18.97145231     10.99182250    -11.59808236
  H     15.96455136      4.91130633    -10.50514166
  H     12.47783790      7.45318092    -14.85101881
  O     17.81536538      4.89043483    -14.02033361
  H     16.60793196      1.89136328    -12.54272473
  H     11.11127400      7.09667417    -14.21424325
  O     11.99120720      7.39859482    -14.00809683
  H     16.38613517      3.29601654    -11.92988398
  H     15.99805956      9.38676362    -11.83265492
  O     16.80547839      9.43379430    -12.35787859
  H     20.87017862      7.23873681    -11.82921179
  H     17.41167761     10.07896133    -11.97347981
          69
 Energy    -248.31301868195925     
  O     14.74766199      8.88683869    -16.25596057
  H     14.18183608      9.45479643    -15.72258934
  H     19.37059645      5.82372239    -10.55897358
  O     16.30306133      5.83645941    -11.17710837
  H     15.35475806      8.45138665    -15.63689985
  H     18.91978284      7.47277874    -18.91069557
  O     19.13452366      7.67428967    -15.37277315
  H     16.03290359      5.48059894    -12.03623387
  H     17.89584244      6.87588385    -17.91533607
  O     12.98478321      5.51748879    -14.62942974
  H     15.62308232      6.47210033    -10.92842109
  H     17.38155538      7.62814374    -14.80409872
  O     18.72939101     11.52346644    -10.27261672
  H     19.03012860      7.72480726    -16.33239707
  H     16.20267760      6.75764660    -14.25015272
  O     16.21561878      9.31805374    -12.33857313
  H     19.47206094      8.51914712    -15.05199079
  H     12.60880468     11.06648069    -14.56452241
  O     17.58956922     11.39957584    -15.16775870
  H     12.14737209      5.07316389    -14.52936065
  H     14.05390944     10.96722675    -14.03028561
  O     19.29090541      5.31974183    -13.93663650
  H     12.91320717      6.36171660    -14.14809929
  H     17.90273070      9.19902632    -11.85728276
  O     14.43395088      7.97050678    -10.79785474
  H     18.84833702     10.65997227    -10.69591566
  H     19.00016174      8.16954766    -11.48523263
  O     17.51502327      3.79984206    -15.29842406
  H     19.09428950     11.43538392     -9.39501047
  H     13.33640198      7.83676201    -12.35509389
  O     15.59561720      5.09210777    -13.75034323
  H     15.98060567     10.19083165    -12.67752659
  H     13.00717288      8.72098883    -13.57916792
  O     18.95051222      6.33324197    -11.24727566
  H     16.28365223      8.71784051    -13.09855513
  H     20.69496158     10.51987584    -13.90780327
  O     18.49521303      7.62980968    -18.07223057
  H     18.39448633     11.00348973    -14.82069613
  H     19.58177640      9.72656000    -13.18668158
  O     16.47988903      7.65828527    -14.46043016
  H     17.42353006     10.97789321    -16.02435859
  H     17.40505477     12.57133164    -10.96142313
  O     13.30213496     10.44445473    -14.35757723
  H     19.21565487      5.61502392    -13.02306707
  H     17.00245024     14.00857282    -11.31779540
  O     18.84899752      9.10630512    -11.66095546
  H     19.35752836      6.12535410    -14.47030633
  H     17.09597735      4.92461887    -16.80567161
  O     12.90570761      7.83230090    -13.21810388
  H     14.19092899      8.45651143    -10.01390343
  H     15.93346686      5.75706951    -17.40713109
  O     19.88760144     10.03334788    -14.05573185
  H     15.08116041      8.51736222    -11.27800236
  H     16.24464356     11.68977953    -14.12051938
  O     16.69542619     13.10526873    -11.35154643
  H     17.83822399      2.91134719    -15.41940874
  H     15.84858212     12.30545302    -12.73635910
  O     16.88069755      5.56929182    -17.48714438
  H     18.20108112      4.28583905    -14.80489186
  H     16.14602613      9.66863226    -17.19830456
  O     15.53402568     11.74569379    -13.45869119
  H     14.69079435      5.10028442    -14.08807407
  H     17.50973191      9.25010288    -17.77667053
  O     17.00315434     10.01530405    -17.48287357
  H     16.13790821      4.52724951    -14.31563183
  H     14.30979683      7.22311190    -16.96263263
  O     14.23172144      6.26977905    -17.10771440
  H     17.99482894      6.14954242    -11.18521421
  H     13.73486787      5.94137912    -16.35026230
          69
 Energy    -248.31290055962455     
  O     20.00039232      9.81560666    -14.02458462
  H     20.43784397      8.95984571    -13.92701555
  H     19.43027313      3.59898271    -13.10066129
  O     20.96627756      6.21479177    -11.02425666
  H     19.65064229     10.03527929    -13.14947594
  H     15.60421020      8.77678803    -14.46939090
  O     15.86735097      8.13732959    -10.25322384
  H     20.83847185      5.26282715    -11.10759433
  H     16.92921152      9.47556902    -14.95737430
  O     12.30823998      9.05592478    -13.17939713
  H     21.02680974      6.54606753    -11.93114302
  H     17.39181032      7.96291515    -13.45842134
  O     18.34929667      9.54552301    -16.12358792
  H     15.94595966      8.96952468    -10.74469732
  H     17.37511124      6.41526051    -13.25161808
  O     11.93285239      7.07074713    -11.13118643
  H     16.76696364      7.85446668    -10.05218467
  H     14.35301756      7.17208635    -13.64921541
  O     17.68534303      4.56667398    -10.65685342
  H     12.87306738      8.62236124    -13.83066653
  H     14.62473241      6.84795871    -15.13748074
  O     14.51989792      6.41825819    -11.97816726
  H     12.02704935      8.36080849    -12.57077168
  H     19.44712131      7.00798016    -10.43597098
  O     20.08537524      3.47364089    -11.34512863
  H     18.98084532      9.68639204    -15.39296071
  H     18.26907583      7.37436320    -11.36379557
  O     16.33000308      4.84019017    -13.28531919
  H     18.54753734     10.19872373    -16.78872227
  H     19.79321814      4.65795104    -15.16352602
  O     20.60562979      7.09921843    -13.69021054
  H     11.18482875      6.66506543    -10.70219624
  H     20.81901485      4.71036382    -16.32232760
  O     18.96601530      3.74673492    -13.93542617
  H     12.31724882      7.70240196    -10.49552220
  H     12.92682141     10.37729935    -12.18883627
  O     16.35886163      9.31486750    -14.19521946
  H     17.89982422      5.48775415    -10.46125187
  H     12.76775729     11.80714159    -11.61899857
  O     17.87979732      7.21838364    -13.08573632
  H     17.14403901      4.57679620    -11.45286281
  H     18.91340563      9.35863419    -10.92012473
  O     14.27921156      7.52850099    -14.54765376
  H     15.02380745      6.98893388    -11.37961173
  H     17.94461223     10.42183267    -11.46282760
  O     18.53537057      7.33614406    -10.42969791
  H     13.59880473      6.46146093    -11.69315858
  H     15.40254519      4.94700666    -16.66727096
  O     20.22781975      5.24978658    -15.80427603
  H     19.23010109      3.78351072    -10.99766162
  H     16.48478593      5.95189813    -16.19877314
  O     13.28924499     11.01214710    -11.54574503
  H     20.34014698      2.72161869    -10.81669990
  H     18.12990072      7.69418841    -16.46491567
  O     18.86930072     10.14267298    -11.47508902
  H     15.62145483      5.26978352    -12.78001898
  H     18.76972394      6.28429804    -16.37596175
  O     15.67187871      5.48574870    -15.92830286
  H     16.08247838      4.92176939    -14.21730506
  H     14.14995445      8.61112817     -9.59532281
  O     17.94811196      6.75283356    -16.57005575
  H     19.65618211      7.14528598    -13.49556470
  H     13.20967075      9.71648484    -10.11019935
  O     13.22595280      8.89572077     -9.60180117
  H     20.68137773      6.50755173    -14.44685510
  H     15.14980350     10.80729969    -11.65433485
  O     16.04973667     10.46861794    -11.73127288
  H     18.05823856      3.96597660    -13.70206890
  H     16.15315338     10.15208890    -12.64240772
          69
 Energy    -248.31288940986667     
  O     16.24931746     10.54474248    -16.63952069
  H     15.44804233     10.98515482    -16.33408453
  H     21.17806524      9.99825285    -17.04111267
  O     15.46783436      5.35059016    -14.29041622
  H     17.00743315     11.11849702    -16.44801767
  H     16.28519767      8.59537424    -14.04442119
  O     17.51500968     13.07573761    -10.72257872
  H     14.64830947      5.85897723    -14.28956712
  H     16.71934593      9.37283593    -15.33227074
  O     19.68075700      8.44739715    -14.22008159
  H     15.93931716      5.58837032    -15.09703284
  H     14.16792351     11.45244377    -14.57012915
  O     16.44785204      9.82953152     -9.26983264
  H     18.08882422     12.49687045    -10.20331273
  H     13.32015798     12.20002228    -15.62488290
  O     14.97929657      8.58560283    -12.76034601
  H     16.61293935     12.82523202    -10.49012994
  H     17.13757888      6.79956979    -11.37026592
  O     17.75299416     11.65058789    -13.06884816
  H     18.72315309      8.53329079    -14.35831035
  H     16.18893233      7.99263992    -11.61940633
  O     19.17390628      5.65621071    -14.46354506
  H     20.09393623      8.91641607    -14.95453788
  H     13.97634101      8.47393225    -16.98321381
  O     13.16279963      7.04335043    -14.20174897
  H     16.56452154      8.99642534     -9.74377820
  H     13.39991986      9.61125912    -16.09835427
  O     17.26790837      6.44824791    -16.27437592
  H     17.33267447     10.20423759     -9.17362248
  H     19.15991586     10.44888301    -10.30765759
  O     17.30916442      5.17980479    -12.28844279
  H     14.81827776      9.53600401    -12.82058246
  H     19.87515967     10.93484182     -9.02560794
  O     20.37261707      9.84596744    -16.55331990
  H     14.25325889      8.10761424    -13.18031529
  H     19.43942034      9.08790947    -12.54602563
  O     16.97268790      8.67287506    -14.71571241
  H     17.73572302     12.30285305    -12.35277901
  H     18.30797015      8.80957446    -11.51708543
  O     13.83082699     11.40702249    -15.48021786
  H     18.16283252     10.85870846    -12.69920601
  H     15.39917633     11.08919176     -9.87432011
  O     16.94126027      7.69912968    -11.08216398
  H     19.53009655      6.54513141    -14.33140075
  H     14.28201316     12.11746311     -9.58056875
  O     13.30375032      8.67806317    -16.31946639
  H     18.67098056      5.45398815    -13.66562561
  H     17.92669631      8.48342862    -18.51706231
  O     19.05054213     10.98350846     -9.50198509
  H     13.16487918      7.59847486    -15.00299617
  H     18.37870301      7.48763809    -17.46002995
  O     18.99695064      9.44375419    -11.76406355
  H     12.27330524      6.71939975    -14.09067365
  H     15.94085412     11.45174453    -13.12432822
  O     14.91276551     11.84858258    -10.24308699
  H     17.97139536      5.98197373    -15.79668112
  H     14.82349417     11.59986261    -12.06345946
  O     18.69205612      8.22509022    -18.00018737
  H     17.09179993      7.23846253    -15.73655984
  H     18.31298994     11.86128355    -14.84173457
  O     14.98609118     11.35940188    -12.98520532
  H     17.28282911      4.30513504    -11.90784349
  H     19.18835950     11.27283147    -15.98645344
  O     18.44966138     11.86413547    -15.79941045
  H     16.60759384      5.20972703    -12.96350128
  H     16.05203571      7.48178869    -17.51070982
  O     15.57007913      8.19050027    -17.95192403
  H     19.80378785      9.29670110    -17.12029864
  H     15.87622936      9.02518439    -17.56163458
          69
 Energy    -248.31286842988601     
  O     17.46042075      8.01854635    -14.02130275
  H     17.52042096      7.43675572    -14.78760405
  H     18.49369384     12.17098175    -14.29350188
  O     17.00872062     11.48883643    -11.33393819
  H     16.73517080      8.64072191    -14.19195391
  H     13.73736591     12.30195544    -14.30441080
  O     15.48464355     12.35408235    -15.22894666
  H     16.08477538     11.24330312    -11.49667893
  H     12.42783235     11.49496601    -14.17540745
  O     12.65854787      6.21000504    -15.20470416
  H     17.20866028     11.19229018    -10.43487036
  H     15.45926639     10.60333950    -14.67828478
  O     15.20593743      8.35668420     -8.79222814
  H     16.07448607     12.77913224    -14.59028210
  H     15.02419783      9.90310992    -13.38585699
  O     15.93745235      6.55082888    -12.20223046
  H     16.03501419     12.08138793    -15.97428637
  H     11.63749666      8.77273235    -13.64037476
  O     14.46718419     10.68984166    -11.82131705
  H     12.13671272      5.49741426    -15.56276033
  H     12.08841463      7.31152666    -13.76062493
  O     16.10249025      8.56537117    -17.48868665
  H     13.52483238      5.83157671    -14.96699239
  H     19.34180328      8.85563296    -10.89680386
  O     17.24550547      6.59086434     -9.79431638
  H     14.63208773      8.23834644     -8.03869167
  H     20.35863061      8.35447306     -9.84780102
  O     17.35152620     11.10582629    -16.96634169
  H     14.64412066      8.27225426     -9.57944753
  H     15.81840413      5.59521775    -15.17417076
  O     17.17598291      6.39103312    -16.27874744
  H     16.51509618      7.06454689    -12.78262900
  H     15.37285882      5.60750946    -13.68959825
  O     18.89471436     11.41528697    -14.74193379
  H     16.42203937      6.41554489    -11.37502783
  H     17.47585893     14.19996714    -12.96869468
  O     13.02424531     12.08122250    -13.69254934
  H     13.82155538     11.18834929    -12.34450713
  H     17.23353229     12.73294979    -12.54458455
  O     15.35566464      9.73112077    -14.27612298
  H     14.09228399      9.84922053    -11.52987435
  H     18.45072420      9.03833606    -12.97717696
  O     11.88775545      8.00345833    -13.11726614
  H     15.18037752      8.63912925    -17.21040190
  H     18.22282347     10.29972217    -12.08286600
  O     19.42486189      8.43647542    -10.02426052
  H     16.51166819      9.42363217    -17.32416785
  H     16.64397860      9.64044612     -8.84783751
  O     15.10857239      5.32957849    -14.57777915
  H     18.04424092      7.13057746     -9.84509072
  H     18.15398182      9.60243078     -9.15591824
  O     17.33418481     13.32209442    -13.31303110
  H     16.59685332      7.12215284     -9.31557821
  H     14.20383165      8.96379527    -15.43719427
  O     18.89953261      9.69679676    -12.42411801
  H     17.82719539     11.47784829    -17.70551805
  H     13.29173283      7.79138139    -15.91155026
  O     17.42278110     10.20062546     -8.95800139
  H     17.95826599     11.13506103    -16.20513744
  H     13.06234905      8.00859843    -11.77219110
  O     13.60672276      8.67518927    -16.14580332
  H     16.80301611      7.13541123    -16.78441223
  H     14.52650583      7.51799991    -11.57748181
  O     13.83241330      8.07047557    -11.18838180
  H     17.75267946      5.91527823    -16.87014127
  H     10.76389156     10.23206814    -15.67302372
  O     11.50390524     10.12464189    -15.08038661
  H     19.09639654     10.78461093    -14.04142750
  H     12.20125938      9.67156599    -15.58217784
          69
 Energy    -248.31277597517433     
  O     13.12767254      8.36061167    -16.39623818
  H     13.87887206      7.75618209    -16.38763341
  H     20.86537866      9.35364372    -14.14735883
  O     17.66142134      7.10982420    -12.79139527
  H     13.48096423      9.23036645    -16.61948110
  H     17.38452551     10.21628633    -17.49323163
  O     17.02526530     11.18789772    -12.21455142
  H     18.19039957      7.68748629    -12.22892584
  H     16.68504305      9.04219709    -18.21472916
  O     18.68077158     10.38035598    -16.17985922
  H     17.41386929      7.65624301    -13.55388431
  H     16.21314284      9.35216998    -14.60945644
  O     15.12865192     10.43933565    -10.37347798
  H     16.46228007     11.05651583    -11.43759190
  H     17.53299845      9.13347158    -15.38257026
  O     15.14862470      7.00392117    -11.64246301
  H     16.41973982     11.11396364    -12.96678799
  H     12.15843965      8.08211676    -14.97395290
  O     15.14516746     10.71810691    -14.18182282
  H     18.76320461     11.03598897    -15.47622407
  H     10.80793577      7.77919434    -14.27971760
  O     19.22540045      6.77791023    -16.75871502
  H     19.50514486      9.87546767    -16.19281248
  H     19.14416399      7.76596787     -8.55554608
  O     15.63641785      7.94408067     -9.02101496
  H     15.29503465      9.66815981     -9.81858374
  H     18.62548281      8.53075015     -9.78505383
  O     20.90473047      8.70643842    -15.95190934
  H     14.45301998     10.15899091    -11.00408849
  H     13.01140320      6.41428356    -13.89156441
  O     17.85357596      5.24534893    -14.89320082
  H     15.24712882      7.20554218    -10.70437743
  H     14.24516855      6.10707386    -13.02412157
  O     20.75378639      9.82432065    -13.31255477
  H     16.04278718      6.97648760    -12.01322493
  H     18.34252250     11.82549358    -13.24958403
  O     16.61139917      9.98548049    -18.02668163
  H     14.49702636     10.23663225    -13.64502453
  H     19.19350790     12.98489555    -13.80885932
  O     16.84294067      8.67481736    -14.88947147
  H     14.77649433     10.87295551    -15.05944281
  H     18.22952082      9.85296324    -11.65250490
  O     11.74198229      7.87666434    -14.11728459
  H     18.86635763      6.17399299    -16.09236471
  H     19.65478770      9.34006747    -11.99236768
  O     18.34979015      8.11360225     -8.95216559
  H     18.51436467      6.92097937    -17.39137196
  H     16.23902035      6.83836831    -17.54213161
  O     13.81747884      5.88541349    -13.86233639
  H     15.29468798      7.71054190     -8.16183234
  H     16.55224939      6.57556539    -19.03055536
  O     19.02097359     12.05162878    -13.90730832
  H     16.60562405      7.97280548     -8.93964834
  H     14.16445014      8.43936891    -12.21532479
  O     18.89650589      9.19885328    -11.40651205
  H     20.34587550      7.95666778    -16.22779469
  H     12.85658300      8.81591194    -12.94978072
  O     16.78626256      7.13029823    -18.28977005
  H     21.73547602      8.60991714    -16.40958938
  H     15.15105437     10.58404062    -17.32247285
  O     13.61347129      9.19028384    -12.48276657
  H     16.96491214      5.38841863    -15.23285120
  H     13.97900331     11.59227226    -17.39142033
  O     14.33838762     10.87808999    -16.87206603
  H     17.88375434      5.71850928    -14.04995788
  H     15.91716880      7.32781995    -15.58032079
  O     15.39589231      6.60404407    -15.96490002
  H     20.31749927     10.65608923    -13.53572746
  H     14.82937988      6.24853499    -15.26228941
          69
 Energy    -248.31277241384282     
  O     12.25800470      5.78591054    -15.47716140
  H     13.19044334      6.04111824    -15.51425656
  H     12.68787394      7.18307522    -10.22260912
  O     10.29503425      8.87610109    -11.24707658
  H     11.78386754      6.50947583    -15.05180180
  H     13.21819897      3.30997314    -12.89378246
  O     16.91578963      6.45375873    -11.20791195
  H      9.62865012      9.31702071    -10.72611588
  H     13.53072596      3.08407377    -11.38309039
  O     12.68450119      2.94932451     -9.82538502
  H     10.97038633      8.57555229    -10.62021360
  H     13.56986046      5.15169557    -11.62049909
  O     14.64799529      9.11157129     -9.07456944
  H     16.54719295      7.33358742    -11.37273881
  H     12.19104804      5.79859019    -11.76963132
  O     17.40299288      7.70896496    -15.84617273
  H     17.85322228      6.50453857    -11.43393754
  H     19.23008162      6.21223824    -13.11699023
  O     16.03874968      4.77981585    -13.25920017
  H     11.77986960      3.28271067     -9.82620010
  H     20.38481701      6.54625287    -12.14057675
  O     10.09163031      4.24259086     -9.87581017
  H     13.13305461      3.41769493     -9.10916217
  H     13.63630914      7.29315184    -12.59344446
  O     17.99656221      8.92969857    -13.48764394
  H     14.56081941      9.78616704     -8.40592903
  H     14.27243900      7.59271809    -13.97129962
  O     13.84937828      4.50980363     -7.75547575
  H     13.75935913      8.74433617     -9.22165010
  H     15.31002740      7.30532012     -8.73725866
  O     11.36120491      5.89364979     -7.90452952
  H     17.73545839      8.22230963    -16.57743806
  H     16.07790291      6.25908009     -9.55956099
  O     12.30360880      7.80922495     -9.59117955
  H     17.59505396      8.21574266    -15.03672290
  H     15.11381958      8.80690989    -12.21547091
  O     13.91193357      3.37602115    -12.22564651
  H     16.30434223      5.33178496    -12.50947524
  H     15.49815754      9.19189873    -10.75908127
  O     13.10182698      5.98571661    -11.50442257
  H     15.39111317      4.14459800    -12.92643246
  H     18.19691241      6.09963369    -15.09756722
  O     19.47324207      6.74275592    -12.33659267
  H     10.14872625      4.64582015    -10.75726636
  H     17.69024162      4.99865916    -14.14641908
  O     13.84633372      8.01166186    -13.21087271
  H      9.23220535      3.83129891     -9.82043948
  H     12.02206759      7.96855353    -13.57594431
  O     15.54449237      6.37124078     -8.76182071
  H     18.60125221      8.32204594    -13.04398317
  H     10.67000765      8.21850916    -12.90246247
  O     15.86132233      9.01744665    -11.63543645
  H     17.29971997      9.12765030    -12.84843343
  H     15.74937725      6.91112062    -15.56651914
  O     18.49498462      5.40863558    -14.49314540
  H     14.46815974      5.16389781     -8.12521085
  H     15.31433555      5.81740414    -14.55777029
  O     11.08556301      7.73047417    -13.62914497
  H     14.27439200      4.14033991     -6.98562599
  H     11.99524473      4.26838444    -14.70098652
  O     14.97832588      6.46175230    -15.19941986
  H     10.84518598      5.34036104     -8.50475567
  H     11.50527909      2.79893961    -14.72813551
  O     11.80378071      3.49098471    -14.14428959
  H     12.18260574      5.40999079     -7.74348511
  H     10.84759976      4.59069326    -12.99751278
  O     10.52437961      5.27519582    -12.39529286
  H     11.91252911      7.26293355     -8.89316054
  H     10.55251548      6.11670361    -12.87165027
          69
 Ord_Energy   -248.312653    
 O   0.684549451       1.72204745      0.256297052    
 H  -0.121130630       2.09855056     -0.119153850    
 H    1.31056023       2.44842005      0.366053641    
 O  -0.659864426       1.95658290       6.48890162    
 H  -0.820320606       1.45502782       7.28527069    
 H   -1.52895856       2.11070156       6.08248472    
 O    1.83282864       5.90416241       5.06718493    
 H    1.32909846       5.56240940       5.81879759    
 H    2.06772542       5.12570190       4.54315615    
 O    2.00849843       3.63016868       3.51788497    
 H    1.88774288       2.73269749       3.86461377    
 H    2.29261184       3.57822299       2.59909964    
 O   0.131115854       4.72092962       6.91548729    
 H  -0.648856282       5.14272738       6.52778292    
 H   -2.59715896E-02   3.77390575       6.83124733    
 O    1.28712785       6.25221014      0.964380682    
 H    1.26640761       6.79995060       1.75655651    
 H   0.366836697       6.00734615      0.791049480    
 O   -4.63318968       3.18002605     -0.768834174    
 H   -4.93043041       3.96105838     -0.268371195    
 H   -5.16518211       3.14098048      -1.55903840    
 O   -1.93089497       2.74290156     -0.193564266    
 H   -2.82281494       2.86841416     -0.542668879    
 H   -2.04076147       2.39593792      0.702743053    
 O    2.51571655       3.83883452      0.743681014    
 H    3.35606456       3.92920208      0.301727444    
 H    2.12346673       4.72913933      0.784953594    
 O    1.06869805       7.82621002       3.38783360    
 H    1.73253214       8.51047325       3.42025614    
 H    1.34363580       7.14324617       4.02913857    
 O   -6.45443201       3.61035585       3.00879812    
 H   -5.93729210       2.88925481       2.60622978    
 H   -7.28873205       3.23643422       3.27800345    
 O   -2.13876629       1.84986758       2.52112556    
 H   -1.67385662       2.63494515       2.85292268    
 H   -1.49542701       1.12930560       2.47539020    
 O   -1.65530396       8.13453674       3.77146697    
 H  -0.705638170       8.05163670       3.58538771    
 H   -1.79466653       9.02312279       4.09115696    
 O   -5.49168301       5.21128654      0.820484996    
 H   -5.95786810       4.78449011       1.55007148    
 H   -4.83325481       5.78983545       1.22670126    
 O   -4.88202143       1.79663038       1.73292649    
 H   -3.97033167       1.74128342       2.04460430    
 H   -4.83445978       2.11912680      0.824022591    
 O   -3.04789662       2.32453918       5.17795610    
 H   -3.49160314       3.15707302       4.97435522    
 H   -2.84299850       1.94155455       4.31693649    
 O   -5.57407290E-02   4.56254594E-02   2.23987961    
 H   0.295502514      0.596947432       1.51620626    
 H    3.38559002E-02 -0.862751901       1.96476018    
 O   -4.23717880       4.76456451       4.26161146    
 H   -5.08479691       4.40000772       3.97938275    
 H   -3.92690277       5.30641079       3.52179217    
 O   -1.91253734       5.78460121       5.34686899    
 H   -1.83016133       6.64207172       4.91269732    
 H   -2.80714250       5.46508646       5.16761684    
 O   -3.35766363       6.47208023       2.17778635    
 H   -2.90234375       7.16563654       2.66778517    
 H   -2.67698765       6.05825186       1.62537253    
 O    1.25789845       1.21453083       4.50736380    
 H   0.802522898      0.722785771       3.81415725    
 H   0.606559277       1.40887988       5.19418621    
 O  -0.740123153       4.09718180       3.34875655    
 H   -1.05798423       4.62295341       4.09164286    
 H   0.210458875       3.96111369       3.45950294    
 O   -1.28065848       5.21232224      0.905962646    
 H   -1.03677285       4.86204815       1.77879751    
 H   -1.48729205       4.44617605      0.357184589    
          69
 Energy    -248.31259027419662     
  O     -3.68856981     -0.60335533      2.95112779
  H     -3.37258427      0.09435432      3.53967310
  H     -3.08442265      2.05880899      0.28189572
  O      0.45377479      2.86272140      3.29345493
  H     -2.92430658     -0.94530043      2.46544648
  H     -6.00737690      1.77515306      0.72582394
  O     -1.59433236     -1.41608928      1.32474024
  H     -0.38528367      3.28195081      3.06049661
  H     -7.34068495      1.76238878      1.48738533
  O     -4.17006041      0.75983331     -2.57407115
  H      0.26995016      2.29975495      4.05574151
  H      2.51542258      1.44552485      1.35445680
  O     -1.66391646     -0.55264971     -2.46298953
  H     -1.23589949     -0.67337146      0.82117370
  H      1.22017401      1.87847728      2.08215671
  O     -4.35291064      0.99486787      0.77261365
  H     -2.11527475     -1.92972626      0.69054386
  H     -5.28596584      3.32803536      3.58109332
  O     -7.53158763      0.96019018      3.15242949
  H     -3.30406782      0.33210881     -2.61539234
  H     -4.62517954      2.15335914      4.32406143
  O     -7.67986196      0.55066798     -1.53540925
  H     -4.75233134      0.12802303     -2.14262838
  H     -2.93757295      4.18960735      2.64709978
  O     -2.81275439      1.61814408      4.36663639
  H     -1.17385260     -0.13723641     -1.73380175
  H     -2.14242756      3.35806854      1.62155561
  O     -4.05480795      3.46157460     -2.13849659
  H     -1.01847971     -0.81296465     -3.11551257
  H     -4.94122868      5.75360700      2.89438772
  O     -5.63320068     -1.04486521     -0.68306638
  H     -4.67166937      0.32131982      0.15759392
  H     -4.97407395      4.76649797      1.70564953
  O     -2.38515372      2.66097850     -0.02665334
  H     -4.17070014      0.53126067      1.60053766
  H     -6.75917437     -0.66856067      2.36959416
  O     -6.92943621      2.07065345      0.67030291
  H     -8.21623374      0.92794089      3.81494716
  H     -5.35511681     -1.27858817      2.43969405
  O      1.59200173      1.23126512      1.45562144
  H     -6.80229739      1.48565909      3.52921069
  H      0.12951802      0.55597942      6.03780354
  O     -5.47934869      2.50164654      4.03938417
  H     -8.07977603      1.06619506     -2.23075271
  H     -0.02513882      0.19569347      4.54050803
  O     -2.14327096      3.65068059      2.54410336
  H     -7.52805743      1.16141769     -0.79626669
  H      0.94690650     -0.22219874      2.57767730
  O     -4.66739218      4.88139139      2.62230664
  H     -2.56608070      2.29696115      3.72216434
  H     -0.25129785     -1.18848558      2.61593370
  O     -6.20753962     -1.36174482      1.98898852
  H     -1.99533286      1.34934693      4.80366472
  H     -2.63954432     -1.89107955     -1.44442937
  O     -0.25974052      0.85330434      5.22016160
  H     -3.98807990      3.89222447     -2.98675011
  H     -4.02131887     -2.08371303     -0.79286625
  O      0.43074647     -0.78397662      3.16835239
  H     -4.15624921      2.51000977     -2.31776517
  H      0.27704173      0.86903136      0.22463231
  O     -3.10657072     -2.39027344     -0.76346062
  H     -6.42010761     -0.63451832     -1.07027694
  H     -1.11430018      1.42763627     -0.20335510
  O     -0.51949928      0.66667722     -0.28146436
  H     -5.87311128     -1.27559366      0.23042850
  H     -6.21890993      3.71741492      0.26189944
  O     -5.59153152      4.43716026      0.10371423
  H     -2.76165031      3.11350954     -0.78881406
  H     -5.09046951      4.18075152     -0.67880161
          69
 Energy    -248.31252347837284     
  O     13.40693949      3.31656332    -11.82822296
  H     12.62896840      2.74791656    -11.87234247
  H     10.22278134      3.53062969    -12.05499490
  O     13.78334995      3.97438040     -9.18277550
  H     13.16069815      4.13802896    -12.27260782
  H      8.81692651      7.20637312     -9.64920757
  O      8.62885261      6.42470955    -13.55420367
  H     13.81918413      3.65646612    -10.09562993
  H      8.22574667      8.37548430    -10.47836084
  O     14.97849158      8.43416974     -8.88130442
  H     13.10158541      4.66493704     -9.18000682
  H     12.28891772      6.60688566     -9.74471021
  O     12.42219379      6.50986541     -6.49840854
  H      8.95179199      5.65391316    -13.07004448
  H     10.97639410      5.84809832     -9.34894862
  O     10.90929711      1.83694212    -11.79438375
  H      9.39452003      6.76745395    -14.03232226
  H      9.29373968      6.23365105     -4.79911485
  O     12.27724312      2.56341022     -7.39938314
  H     15.06483478      7.57660405     -8.42776787
  H      9.61296755      6.96460464     -6.12206855
  O     12.35195259      5.82238016    -12.76913519
  H     15.84200229      8.83825725     -8.87124337
  H     11.08844790      1.69913338     -8.60081045
  O     11.16047982      9.41813128    -10.12485868
  H     12.21247330      6.29674090     -7.42376905
  H      9.65374857      2.17216610     -8.71778051
  O      7.64934525      8.58735303    -12.23892767
  H     11.61885273      6.32208752     -6.00234840
  H     13.34431054      9.10114810     -8.00746386
  O     10.27378972      9.58698705    -12.81659208
  H     10.72826207      1.01597733    -12.24469184
  H     12.42379836      8.27530623     -7.11908661
  O     10.00747403      4.47085621    -12.06229106
  H     10.68071448      1.69977545    -10.85890134
  H     14.78392413      5.25359904     -8.14946117
  O      8.71154580      8.17030932     -9.67071927
  H     12.89031407      3.00726316     -8.00904807
  H     14.21906746      6.13357250     -7.01551498
  O     11.90781347      5.96614917     -9.13167614
  H     12.79754650      2.26228194     -6.65929252
  H      9.27500762      4.85496697     -8.90717075
  O      9.73228976      6.12693484     -5.63929244
  H     11.98743418      6.35901925    -13.48436384
  H      9.40146357      5.03608000    -10.47248280
  O     10.29619836      1.59936085     -9.14652671
  H     12.73820391      6.45166357    -12.14360141
  H     12.47013399      8.37040258    -10.77749439
  O     12.45575220      9.09654409     -7.63047350
  H     11.59028853      9.44845121     -9.26025656
  H     13.90140207      7.96097902    -10.33417686
  O     14.97784481      6.02824183     -7.60593979
  H     10.30660928      8.98251253     -9.98527562
  H      9.63930113      4.61464276     -6.75154556
  O      9.21460557      5.48724003     -9.63659095
  H      6.79302389      8.82818449    -12.58168913
  H     10.58962320      3.54356040     -7.33433678
  O     13.16494135      7.70723653    -10.90475610
  H      7.91839783      7.77185327    -12.69940954
  H     10.84927137      8.35900132    -13.93485835
  O      9.70064854      3.91308526     -7.41338661
  H      9.34021372      9.39850782    -12.65564607
  H     11.28082920      7.97807712    -15.37050664
  O     11.05085635      7.60849771    -14.52217576
  H     10.66530367      9.72100458    -11.94493101
  H     10.44548044      8.90293509     -7.15291906
  O      9.59602702      8.47050320     -7.02109312
  H     10.83062857      4.94235961    -12.25884356
  H      9.16508899      8.45420134     -7.88689737
          69
 Energy    -248.31200678620456     
  O     16.82659071      9.75577692    -15.35494864
  H     17.33624254      9.53049718    -14.56740880
  H     18.07766150      3.13187983    -15.94935470
  O     13.02819705      4.89551584    -16.77553478
  H     15.89851596      9.61269310    -15.13447437
  H     18.80014353      7.68547841    -17.15249830
  O     17.23020036      4.33319774    -12.13460319
  H     13.52999124      4.32135607    -17.36396460
  H     19.28036649      6.20167402    -17.33909385
  O     19.41326547      4.69339749    -18.37813042
  H     13.39620219      5.78149363    -16.90236699
  H     17.45687533      6.28368951    -16.04102752
  O     16.92422743      4.92601473    -19.30721575
  H     16.96749356      5.22374421    -12.42101970
  H     16.58228675      6.27467590    -14.75172272
  O     13.81634880      6.61263077    -10.15895697
  H     18.10472052      4.17380190    -12.50942048
  H     13.37680991      9.86055038    -14.70922620
  O     13.33557221      4.92326119    -14.02023327
  H     19.99613015      4.49686400    -19.10570873
  H     13.91613432      8.57906668    -14.03687908
  O     16.47872180      6.77920668    -13.01176375
  H     18.51008654      4.74028994    -18.74599895
  H     15.20445262      6.83124446    -16.45707732
  O     16.23346086      3.27906222    -15.88651735
  H     16.61235110      5.84346566    -19.31392100
  H     14.22473016      8.00316706    -16.21858168
  O     19.87407568      6.92410264    -14.04109371
  H     16.17390599      4.37500893    -19.06135631
  H     19.48524401      3.80058889    -14.35054634
  O     14.86868344      3.22602870    -18.25821262
  H     14.54352114      5.99364250     -9.98922584
  H     20.49488810      3.64650208    -13.19191672
  O     19.03437219      3.27068115    -15.93231942
  H     13.09943606      6.33093790     -9.59507972
  H     14.94416707      2.13849179    -12.72302662
  O     19.08303283      6.88702951    -16.68789208
  H     13.16740130      4.85205499    -14.97160245
  H     15.93666663      3.31522770    -12.85288579
  O     16.61261946      5.99184504    -15.67507841
  H     13.90101416      4.18294172    -13.78159667
  H     16.43542198      4.59523174    -10.50644782
  O     14.07674000      9.21384587    -14.75587394
  H     15.55071370      7.02555868    -12.90208937
  H     16.51972447      4.73829102     -8.98170091
  O     14.45088381      7.30540395    -16.84240213
  H     17.02914130      7.56669540    -12.92429693
  H     16.74293377      8.16996983    -18.75171260
  O     19.69851678      4.10397194    -13.44932083
  H     16.32462472      4.24524187    -15.84085090
  H     15.38992768      7.52639188    -18.42862669
  O     15.22895296      2.83345206    -13.31125341
  H     15.84570679      2.99671111    -15.04989773
  H     13.54231251      6.46746528    -13.27195350
  O     15.91824074      4.82029866     -9.71851521
  H     19.70452862      6.92794598    -14.99512249
  H     13.70830647      7.15848368    -11.87857798
  O     16.08939943      7.55100596    -19.09626162
  H     19.85257875      5.99946031    -13.77227408
  H     18.75364899      9.40937771    -12.42614566
  O     13.77960031      7.30196972    -12.83180189
  H     14.68513196      2.34041346    -18.56193479
  H     18.93632138      8.21082163    -13.39300556
  O     18.29939743      8.87705556    -13.07291819
  H     15.35614764      3.13977684    -17.42068582
  H     18.34289753     10.04381806    -18.09355860
  O     17.99417797      9.22884702    -17.74277391
  H     19.25311509      3.69442579    -16.77054077
  H     17.54366606      9.45331823    -16.90833363
          69
 Energy    -248.31188995899362     
  O      6.72356191     -2.26065766     -3.54826110
  H      7.22691164     -1.97072246     -2.77231654
  H      9.64463151     -4.59987624     -1.28113325
  O      7.27707694     -3.46265966      0.36155411
  H      6.59271971     -1.47155137     -4.08820198
  H     11.18098867     -2.21899101     -7.63604028
  O      8.12862073     -1.35432537     -1.29253028
  H      6.67279404     -3.65303691      1.07302982
  H     11.73227762     -0.78015948     -7.65312811
  O      8.55797871     -0.29985847     -7.04019574
  H      6.95571669     -3.94899660     -0.41994615
  H      9.09364046     -4.77575617     -3.72494812
  O     10.71682025      1.70177222     -2.42578373
  H      7.81728920     -1.96525606     -0.61425947
  H     10.09307338     -5.67541507     -2.95006198
  O      6.61358329     -4.65011521     -1.98807759
  H      9.09612935     -1.37302874     -1.27216119
  H      9.43249719     -2.81973602     -4.77167746
  O     14.25328606     -2.34827131     -6.25909884
  H      8.77726434     -1.19916868     -7.31069387
  H      7.93311834     -3.12928776     -4.60359989
  O      6.76294492      0.13381988     -5.05433647
  H      9.35361444      0.22351226     -7.19468144
  H     11.92566558     -3.05250298     -4.43413063
  O     11.89116166     -5.87710280     -2.82870638
  H     10.80634236      2.50266195     -1.91680326
  H     13.29016228     -3.40113634     -5.06691016
  O      9.42840061     -2.97567465     -7.61352100
  H      9.76175525      1.54897098     -2.55133997
  H     12.83811815     -4.99034516      0.49755996
  O     10.67464940     -1.72214373     -4.25676284
  H      7.42876214     -5.06226284     -2.30750033
  H     11.61874139     -4.41057811     -0.25809369
  O      9.90681728     -4.27332311     -0.40912870
  H      6.43066901     -3.92283440     -2.59645246
  H     11.38541419      1.00268003     -6.44903526
  O     11.99825882     -1.70687368     -7.61533598
  H     14.94782684     -2.57508084     -6.87119099
  H     11.36399571      1.78161836     -7.78757747
  O      9.18963507     -5.32579714     -2.93765382
  H     13.47094103     -2.11730530     -6.79228567
  H     12.72222553      0.41118563     -4.53678380
  O      8.74121532     -3.45420025     -5.02258042
  H      6.02774112      0.59510726     -5.45011984
  H     11.48766403      1.21343725     -4.01973343
  O     12.65557671     -3.68721250     -4.39919661
  H      7.41104589     -0.01619795     -5.76480666
  H     10.99169414     -0.06764348     -1.74553204
  O     12.58479574     -4.53770957     -0.30202868
  H     12.22340065     -5.58507721     -1.97265193
  H     11.75689551     -1.42786304     -1.59145895
  O     11.07409389      0.97433924     -7.37164308
  H     12.21418328     -5.22400718     -3.46570533
  H     13.18578885     -3.08614757     -1.28638761
  O     11.87359388      0.79949579     -4.80159304
  H      9.15090534     -3.26906712     -6.72889418
  H     13.13084166     -2.88389382     -2.80551075
  O     10.88387892     -1.01249081     -1.57705877
  H      9.10275066     -3.62497955     -8.23178744
  H     13.99736243     -1.08196459     -3.23638889
  O     13.27922394     -2.41204011     -1.97308977
  H     11.02194272     -0.91008598     -4.64144243
  H     14.29665083     -1.14758372     -4.75365978
  O     14.11912002     -0.53910647     -4.02454606
  H     10.64047410     -1.56469743     -3.30363070
  H      8.00744096      0.30228956     -2.12755315
  O      8.12062042      1.06241561     -2.71537526
  H      9.09080050     -4.01270027      0.02870586
  H      7.66786709      0.83436385     -3.53563470
          69
 Energy    -248.31183593187413     
  O     -1.80713675      4.67324949      4.60022622
  H     -2.11986556      5.39709604      5.13599703
  H     -0.68918382      1.10155368      3.82674153
  O     -2.48104367      3.37637707      2.17934225
  H     -1.55803946      3.95866876      5.21464700
  H     -3.35955453     -0.63999953      1.32480406
  O     -0.84134291      2.71592510      6.23780229
  H     -2.42223376      3.96869614      2.93745841
  H     -4.24807364      0.53460647      1.77712336
  O      1.27513246     -3.51529593      1.34209168
  H     -1.92069133      2.62144743      2.41699556
  H     -1.64653587     -0.46835451      5.04942775
  O     -0.18271919      0.47853132      0.59215589
  H     -0.92721229      1.77095957      6.05556442
  H     -0.08581564     -0.43367080      4.99340463
  O     -2.29459973     -1.14859493     -0.06733666
  H      0.10825782      2.88856624      6.27675727
  H     -0.00189327     -3.86931210      3.98624015
  O     -4.66195398      2.21910941      0.99681153
  H      1.66339913     -2.63145010      1.28930202
  H      1.07177728     -4.70986144      4.72216081
  O     -3.00231614      1.40646953     -1.21911245
  H      1.31063456     -3.76343827      2.27379144
  H     -0.38481317     -3.64851726      0.79194858
  O      2.03703178     -0.81845005      1.48219851
  H     -0.29989739      0.76216943      1.51316429
  H     -1.46475429     -4.52082042      0.11314271
  O     -3.10997681     -1.38428777      4.41101482
  H     -0.32516140      1.28262930      0.08008960
  H      2.61031785      3.57381336      6.53690446
  O     -1.63502812     -3.63002754      3.46661773
  H     -2.03667835     -2.06818206      0.06547035
  H      2.33106161      2.47844396      5.47944119
  O     -0.54834807      1.60681324      3.01719170
  H     -1.51218544     -0.61808119      0.15036454
  H      2.83834930      2.22182610      1.41336253
  O     -3.84671885     -0.28581568      2.08187612
  H     -3.94179984      2.70687739      1.43197973
  H      4.33405434      1.83808041      1.38974271
  O     -0.86922595      0.05796333      5.27952556
  H     -5.42624740      2.78922961      1.00323492
  H      1.55714232     -1.04485511      3.25679308
  O      0.95239911     -3.93882989      4.17519947
  H     -2.84479626      0.47177252     -1.03687587
  H      1.33494050     -2.13536429      4.32623192
  O     -1.33961272     -3.71775387      0.61271191
  H     -3.67944028      1.67627753     -0.58613119
  H      2.45147515      0.32923750      4.53558729
  O      1.94901601      3.25482337      5.92946500
  H      1.26083558     -0.43456189      1.04623534
  H      3.15828944      1.34227344      3.60348496
  O      3.48907516      1.58011443      1.74906750
  H      2.68278341     -0.10355869      1.52497377
  H     -0.07916662      4.47033737      3.81071932
  O      1.39373844     -1.18008185      4.20117711
  H     -3.89933537     -1.56007265      4.91673661
  H      1.26967695      3.92508034      4.33340454
  O      2.89876439      1.18481841      4.51962989
  H     -3.39733412     -0.96115931      3.58100410
  H     -1.42230550      3.36099419      0.49230833
  O      0.76705957      4.10257498      3.52729505
  H     -2.16631463     -2.88476277      3.77065161
  H     -1.62390128      2.56291969     -0.80028269
  O     -0.95364538      3.04257280     -0.28882608
  H     -1.68929991     -3.64267970      2.50311740
  H      0.86373564      3.37853853      0.40620669
  O      1.65227041      3.43047672      0.95765889
  H      0.02531892      2.35403509      3.22534408
  H      1.37151029      3.81766644      1.79893405
          69
 Energy    -248.31147742656651     
  O     13.11719753     12.35386264     -9.95887412
  H     12.25020412     12.02256031     -9.69808323
  H     16.94688842     13.39086573    -18.13964549
  O     14.29328461      9.95433293    -10.83915171
  H     12.95545502     12.96777379    -10.69071023
  H     13.52177943     13.63740304    -12.58099452
  O     18.37140941     14.55452910    -13.30544480
  H     15.25822290      9.94901386    -10.83547847
  H     13.20108791     14.96133790    -11.85633730
  O     10.53951510     11.14828624     -9.62191707
  H     13.99662304     10.80777603    -10.49015776
  H     12.24500778     12.45668223    -16.28320373
  O     11.52390879      9.34952883    -11.37753302
  H     17.58022323     15.10277603    -13.46262420
  H     11.57787637     13.31317949    -15.19112150
  O     14.15337881     10.11507236    -13.57723394
  H     19.11983918     15.14431448    -13.30176279
  H     14.83944545     13.28721568    -14.21512431
  O     14.50466092     16.21623701    -11.30379431
  H     10.83031311     10.45794530    -10.24652991
  H     14.55553192     11.87726856    -13.58132160
  O     11.45075100     10.29641728    -14.08708518
  H     10.27696641     10.70126897     -8.82130252
  H     18.13903329     13.14871256    -14.57714729
  O     14.67482004     14.42732872    -15.60603492
  H     11.42424671      9.54553837    -12.31817505
  H     17.60597961     11.70750976    -14.84022494
  O     15.22785888     10.63724900    -16.75677197
  H     12.47124906      9.33887445    -11.19201531
  H     13.46177609     10.55698201    -16.69224320
  O     10.76412658     12.93511751    -13.51100772
  H     13.21768238     10.12204613    -13.81160097
  H     12.21152005     10.22410090    -17.53261646
  O     16.43045153     13.12816063    -17.38310665
  H     14.20276794      9.99778182    -12.61765642
  H     17.84641586      9.90578169    -10.72845353
  O     12.82224771     14.10981874    -12.10104422
  H     14.84225424     15.54516327    -10.68396221
  H     17.13104386     11.11919468    -11.36539678
  O     12.17723080     13.35806004    -15.94692537
  H     14.38926983     17.01999096    -10.80379810
  H     17.15338157      9.95370138    -13.36305374
  O     14.81358694     12.78696722    -13.38847888
  H     11.18136748     11.20315404    -13.87603151
  H     15.83948488     10.02597128    -14.11738588
  O     17.95301048     12.50196877    -15.26707301
  H     11.65492981     10.28465769    -15.03132927
  H     17.57636291     13.42800323    -12.08072806
  O     12.48932767     10.58852768    -16.69586742
  H     15.22864552     14.07083588    -16.31136912
  H     16.16930676     12.82330554    -12.26351681
  O     17.11500197     10.14914724    -11.29077828
  H     13.76020447     14.15665115    -15.78245866
  H      9.42995752     12.08969990    -10.79330610
  O     16.79862418     10.10176991    -14.24533296
  H     15.85348023     10.30759092    -16.10513456
  H      8.01670843     12.21244866    -11.38231700
  O     16.93146463     12.84546854    -11.66149898
  H     15.59859422     11.46949392    -17.07847260
  H     15.53861642     15.56265927    -14.39211672
  O      8.91480148     12.51576119    -11.49391464
  H     10.01361154     12.84211337    -12.90897384
  H     15.52326460     16.09280197    -12.93113152
  O     16.09092166     15.94554834    -13.69670178
  H     11.43997236     13.42151151    -13.01695461
  H     14.61765999     13.52073485     -9.58914688
  O     15.34102797     14.14527860     -9.72593534
  H     17.05825592     12.93893587    -16.66001592
  H     15.98556423     13.68652700    -10.28177093
          69
 Energy    -248.31132733459521     
  O     14.93145767     11.38478214    -16.35909390
  H     15.42656279     11.93390026    -15.73855379
  H     15.89995088      4.64229089    -15.00871698
  O     14.73593015      6.27063171    -12.58298781
  H     15.59213817     10.84596618    -16.80984227
  H     17.26278280      5.55150807    -10.01237543
  O     15.40049719     10.16301506    -10.14881821
  H     15.40968619      6.10103230    -11.91591801
  H     17.20441813      7.00119392    -10.57346583
  O     18.39621306      8.87912992    -13.25968518
  H     14.79206385      5.57672792    -13.25825427
  H     18.12649209     10.46604913    -16.00265343
  O     13.63576863      6.08649356    -16.72954909
  H     15.46681278     10.39024081    -11.08665306
  H     17.96246834     11.53704086    -14.91649216
  O     12.67273203     10.67034289     -9.93694357
  H     14.51217444     10.45114411     -9.89235832
  H     15.84355473      8.07910706    -14.96367372
  O     12.38416746      7.74226432    -12.41764896
  H     18.65583388      9.57514640    -13.87717028
  H     15.40503222      7.64719680    -13.53703259
  O     15.21648468     10.77390808    -12.86404121
  H     17.48188876      8.66529077    -13.49962984
  H     13.32844405     10.89294283    -15.88631422
  O     17.64345633      5.20434822    -15.56881755
  H     13.09896468      6.70122413    -16.19578442
  H     11.82947379     11.13079090    -16.17180682
  O     11.91253922      7.88359036     -9.65153673
  H     13.06028796      5.73128708    -17.40114529
  H     15.25193449      6.96705693     -9.67275785
  O     18.47138272      6.10597293    -13.16060899
  H     12.28326335      9.81208112     -9.73076240
  H     14.91051232      8.46256903     -9.60257940
  O     14.98542061      4.57639230    -14.70705529
  H     12.48362377     10.81374086    -10.87340996
  H     12.29466785      8.76819117    -15.41677619
  O     16.83533229      6.10123314    -10.66465115
  H     12.05956381      7.73225375    -11.50872718
  H     12.16472285      7.72567834    -14.28220593
  O     18.54549582     10.82650952    -15.21226008
  H     13.19306197      7.21000013    -12.42043021
  H     17.06854489      9.26172754    -10.29957963
  O     15.78819653      8.37269802    -14.04810233
  H     15.42981015      9.95742362    -13.33967703
  H     18.07742441      8.86614144    -11.41772696
  O     12.42862314     10.64119521    -15.61386346
  H     14.25197725     10.80294796    -12.80125679
  H     17.34416906      9.75275155    -18.34457464
  O     14.59083028      7.58331051     -9.35112181
  H     17.97355011      5.50690250    -14.70384243
  H     16.73416957      8.87224198    -17.23096975
  O     12.24026620      7.82117922    -15.24011228
  H     18.31030700      4.62601435    -15.92912218
  H     12.43896070      9.55740696    -12.65823800
  O     17.74359535      8.61654048    -10.54487173
  H     12.85452469      7.69818442     -9.48285872
  H     12.33824500     10.66576291    -13.73492699
  O     17.01894967      9.77527338    -17.44773708
  H     11.41846594      7.45587058     -8.95765903
  H     16.55682498     13.49323447    -13.91031992
  O     12.46950970     10.51734696    -12.79030596
  H     17.97814882      5.96935328    -12.34714310
  H     16.06987291     12.03641918    -13.72576162
  O     16.50565732     12.64694808    -14.34645660
  H     18.64341107      7.05830052    -13.20695972
  H     15.26979055      6.91398329    -16.78878603
  O     16.14201277      7.30701976    -16.64936480
  H     14.44966336      4.97160616    -15.40661879
  H     16.72820100      6.59990525    -16.34681591
          69
 Energy    -248.31088646242753     
  O     16.86603624      9.77445332    -14.76333904
  H     17.58574867      9.13151447    -14.82202070
  H     18.03440839      5.07438682    -15.27815410
  O     14.73709246      7.36494343     -8.79802920
  H     16.08420554      9.37434997    -15.16762551
  H     15.67828130      7.90262977    -11.68173624
  O     12.60630361      8.73685468    -10.12641487
  H     15.13325312      8.23588293     -8.61218009
  H     15.37771346      6.95496668    -10.49229959
  O     14.58779585      8.49084023    -15.58141553
  H     14.77362477      6.86651780     -7.98645978
  H     18.79518703      6.95377494    -16.04748644
  O     19.03768638      8.03710179    -14.65914779
  H     12.80117405      9.63955073     -9.84611846
  H     19.29325215      6.20001988    -17.30129283
  O     20.55113352     10.09232656    -13.51643700
  H     13.23900915      8.17377120     -9.66512115
  H     17.17050864     13.62260963    -11.23038165
  O     18.20163038      6.55023629    -12.48742695
  H     14.93325816      7.91020671    -16.27566645
  H     17.25651971     12.08103229    -11.16821370
  O     11.81841806      8.34744483    -12.67475577
  H     14.36171784      7.90460432    -14.84729765
  H     16.68787748      6.47255704    -17.09838884
  O     13.17889483     10.46923482    -14.06050078
  H     19.67528790      8.69446424    -14.35442868
  H     15.41565678      5.79462300    -16.56815725
  O     14.22623970     11.90767680    -11.99511142
  H     18.75069822      7.53106423    -13.88296531
  H     15.09540515     10.19231362    -12.17089555
  O     13.44739110     11.36728385     -9.45474965
  H     21.39675089     10.50499251    -13.66855223
  H     16.20461391      9.62726878    -13.10333710
  O     17.68013287      4.69662218    -14.46410333
  H     19.87462875     10.78419092    -13.62854258
  H     17.87642700     11.24433370    -14.32650738
  O     15.64637843      6.96777667    -11.41815360
  H     17.34873828      6.64965899    -12.04469853
  H     18.01558061     12.29043704    -13.20598915
  O     18.55107436      6.28365021    -16.70807727
  H     18.09975660      5.79285615    -13.08428505
  H     18.40131817      9.94238036    -10.51744530
  O     16.94793049     12.82798570    -11.70989766
  H     10.87247090      8.22662053    -12.68608306
  H     16.96251097     10.12559108    -11.01969560
  O     15.72442840      6.52191499    -17.12347516
  H     12.07439969      8.47635150    -11.74359695
  H     14.49447046      6.65973862    -12.77000730
  O     15.80328902      9.54224372    -12.22703559
  H     13.63579004      9.96531676    -14.74457894
  H     13.09735229      7.13386128    -13.25466430
  O     18.50903550     11.84135434    -13.90090170
  H     12.62545772      9.82305548    -13.60332286
  H     19.22154164      7.91447879    -11.50417665
  O     17.61517701     10.49479471    -10.40405135
  H     13.86254447     11.59357532    -12.83801073
  H     20.01744305      9.17271679    -11.91141272
  O     13.88286397      6.63997183    -13.52059801
  H     15.09068638     12.31382310    -12.12934969
  H     16.44340574     10.12849912     -8.99717082
  O     19.58784403      8.73974701    -11.16336104
  H     13.68805335     11.62523689    -10.36166521
  H     14.96282373     10.47414908     -8.70923917
  O     15.68030066      9.87875401     -8.45942673
  H     12.93717223     12.08528035     -9.08929138
  H     14.28796810      3.89488831    -15.16340735
  O     14.88320527      4.63899856    -15.11810909
  H     16.73541182      4.58410654    -14.62621054
  H     14.45947916      5.30028588    -14.54603138
          69
 Energy    -248.31074171581335     
  O     15.27368551     12.51659225    -12.18708939
  H     16.04646891     12.14132428    -11.74781949
  H     15.46075419      7.15451047    -14.64164208
  O     16.98720936      8.70619746     -8.02257916
  H     14.64294024     12.69403140    -11.47879534
  H     10.97963582     10.78101495    -10.45799670
  O     16.60890060      6.80649746    -10.16155370
  H     17.03114273      8.11344134     -8.78458415
  H     11.60823848     11.17285548    -11.81629148
  O     13.72043159      4.64286619    -10.74169983
  H     16.30523076      9.35954913     -8.22376211
  H     15.36481641      9.77471352    -14.80390183
  O     15.76744066      6.91254732     -6.28919590
  H     16.61078564      6.12263300    -10.84483917
  H     16.21484154      8.92550458    -13.85238018
  O     17.11967731     11.10090453    -10.57366007
  H     15.84424857      6.61141332     -9.60084228
  H     14.76521834      6.36887443     -7.70007866
  O     13.54867200     12.77175347     -9.91210108
  H     14.53214770      4.67270148    -11.26054891
  H     13.84386035      7.04912946     -8.75916904
  O      9.96968468      7.45770999    -11.56842297
  H     13.90817043      5.10176816     -9.91098032
  H     12.90740007     10.79916271    -13.87226948
  O     14.97120514     10.54163608     -8.94668519
  H     16.35201080      6.59031871     -5.60819050
  H     12.75100107      9.66364384    -12.83646791
  O     13.65379717      8.34475054    -12.05695973
  H     16.27044200      7.58456685     -6.77795606
  H     12.06600779      5.85341912    -13.24789379
  O     11.29470451      4.95282201    -11.83012015
  H     16.38063973     10.89935497     -9.97423917
  H     11.80145509      7.08511050    -14.14782400
  O     15.21555507      6.25572987    -14.38077703
  H     17.91151146     11.07314960    -10.04128219
  H      9.90842772      8.73950032    -14.92024999
  O     11.40147554     11.50678774    -10.93344336
  H     12.74378158     12.34257464    -10.25503917
  H     11.04856995      9.19616486    -13.97852941
  O     15.85407934      8.94767284    -14.75096455
  H     13.27573453     13.59749546     -9.52150079
  H      9.63568841      9.17998079     -8.95758627
  O     14.36423448      6.25437527     -8.57260645
  H     10.38728225      6.58723626    -11.57066868
  H     10.17557953      8.58092882    -10.27876190
  O     12.25354253     10.32445039    -13.34417593
  H     10.02915665      7.78721199    -12.47291680
  H     15.87103477      5.42884299    -13.01309051
  O     12.48573362      6.46623271    -13.86610038
  H     14.32135112      9.83257872     -9.05533442
  H     16.70438423      4.22293092    -12.52533675
  O     10.47788391      8.44467294    -14.21468841
  H     14.49960064     11.36122772     -9.14465221
  H     14.77244567     11.90108051    -13.73959394
  O     10.36027145      9.22933082     -9.57500864
  H     13.40704571      7.61735109    -12.64008073
  H     14.61384468     12.17099501    -15.25242006
  O     16.17230361      4.95225395    -12.21844189
  H     14.60441636      8.49878521    -12.14242563
  H     12.14781955      8.78441397     -9.31453115
  O     14.44124849     11.52312819    -14.57421191
  H     12.15497899      4.81954443    -11.39097232
  H     13.25547599      8.44412336    -10.34624524
  O     13.08118098      8.55903907     -9.39844570
  H     10.85862713      4.10512319    -11.83873863
  H     16.54732528      8.10735459    -11.39052397
  O     16.40524203      8.82025178    -12.02880594
  H     14.24991127      6.23306494    -14.37249444
  H     16.71704762      9.63160596    -11.61182732
          69
 Energy    -248.31060418082174     
  O     14.07012093     11.30986329     -8.52526434
  H     14.18699708     11.24478372     -7.58151505
  H     11.58766800     13.79236507    -13.11133991
  O     11.06904622     11.12879847    -15.12009599
  H     14.69549417     11.98713542     -8.84159758
  H     16.26011188     14.09164616    -15.85814248
  O     14.63161584      9.27702207    -10.46633891
  H     11.00926504     11.97482650    -14.64967037
  H     17.29130633     14.18085511    -17.01003183
  O     18.36161824     13.70481895    -13.71155584
  H     11.55185283     11.29949754    -15.93918323
  H     13.34866093     14.52378451    -11.23941586
  O     11.88204427     11.74057671    -10.24615921
  H     13.75061273      9.11129037    -10.82369897
  H     12.46777485     13.22291887    -11.10864754
  O     12.07929466      9.35141133    -11.70766469
  H     14.50482759      9.91575824     -9.75439482
  H     11.68456885     14.23516079    -15.30700731
  O     13.40627861     10.16352625    -13.93625377
  H     17.99071140     13.64951359    -14.60647629
  H     12.40604744     13.58515155    -16.50931671
  O     14.77234194     15.57302907    -10.61315409
  H     19.29157092     13.89454543    -13.81318972
  H     15.42378813     12.36296326    -12.67446783
  O      9.68067313      9.60865329    -13.24952523
  H     11.93800892     10.92373207    -10.76298454
  H     13.98064468     12.96223190    -12.62101559
  O     14.82280538     14.54263401    -15.00025032
  H     12.52529448     11.63838485     -9.53357506
  H     12.69593530     11.65419142    -18.15441895
  O     15.40532598     11.37660803    -16.64194160
  H     11.19494254      9.23407673    -12.07085073
  H     13.71014547     11.65581140    -16.99196210
  O     10.87831109     13.52138072    -13.71051615
  H     12.63281608      9.58461764    -12.47112421
  H     16.06981895      9.29121226    -11.46158661
  O     17.09721811     13.72315129    -16.19573275
  H     13.87583015     10.98074895    -13.70502974
  H     17.44797576      8.64085592    -11.70932158
  O     12.78361863     13.90665424    -11.71827202
  H     12.61442330     10.42834865    -14.41857506
  H     16.37864727      9.35229769    -13.89518204
  O     12.29716075     14.41712944    -16.03142737
  H     14.72093850     16.44966361    -10.24168678
  H     14.99257036      9.47955409    -14.52156147
  O     14.61341761     12.49155082    -13.18235433
  H     15.33661697     15.63623013    -11.40439808
  H     17.58822547     12.56259060    -12.45157701
  O     12.77997924     11.83050958    -17.22073318
  H      8.99690448      9.06261518    -13.62965253
  H     17.10777415     11.16764311    -11.90569032
  O     16.88392165      9.35565749    -11.99321705
  H     10.10907043     10.07066087    -13.98934762
  H     10.12589132     12.04171427    -11.12467213
  O     15.93273927      9.40927997    -14.74628462
  H     14.75634314     13.76633964    -14.42209088
  H      9.38060391     11.22226790    -12.19340882
  O     17.01565721     12.12560674    -11.80953067
  H     13.95277861     14.65740301    -15.40500383
  H     17.06899667     15.08874872    -13.01479279
  O      9.44397477     12.10329469    -11.80501028
  H     15.67105409     10.66591664    -16.03979080
  H     15.70763805     15.43561363    -13.62903849
  O     16.28193418     15.62402990    -12.87304888
  H     16.05521463     12.07629942    -16.53253912
  H     15.46038120     14.01335131     -9.80374798
  O     15.76479411     13.14018940     -9.53057419
  H     10.20138664     13.15072096    -13.12575647
  H     16.28633703     12.79303804    -10.26746064
          69
 Ord_Energy   -248.310379    
 O   -2.44636345       10.9187698       4.56083393    
 H   -3.14310789       10.6057138       3.95646739    
 H   -2.82784891       11.6217747       5.08055925    
 O   -5.94000626       7.78447247       3.29895735    
 H   -6.71887970       8.09671402       2.82423735    
 H   -5.27488708       8.48009396       3.18414307    
 O   -1.99215555       8.06072998       2.15247607    
 H   -1.84123600       7.96933174       3.10030079    
 H   -1.20449960       8.46659088       1.76483393    
 O   -7.82659674       8.80824375       1.42108858    
 H   -8.77295208       8.88972473       1.34048021    
 H   -7.55119610       8.10869503      0.800822377    
 O   -3.63043499       4.35314322       3.78285599    
 H   -3.94587731       3.47592807       3.98776937    
 H   -4.16999388       4.67429113       3.04153562    
 O   -3.03358388       6.44756079      0.236074477    
 H   -2.30988526       6.08503628     -0.287970632    
 H   -2.63127494       6.97878075      0.941474378    
 O   -4.08734417       9.75135708       2.74832177    
 H   -3.35148787       9.21606827       2.41502643    
 H   -4.58277369       10.0676613       1.98143339    
 O  -0.805166662       4.71252823       3.37206745    
 H  -0.459745526       5.29190445       4.05968189    
 H   -1.75073922       4.61213923       3.53052568    
 O   -4.52343655       8.35227108      -1.13449466    
 H   -3.91628146       8.89990616      -1.64840758    
 H   -3.97615862       7.69086838     -0.686707854    
 O  -0.459367931       8.51483250      -1.44175971    
 H  -0.500055969       7.55208015      -1.41870511    
 H  -0.100777969       8.79441929     -0.587541699    
 O   -5.57159042       10.3463717      0.516315460    
 H   -5.22356224       9.66934776      -8.46445337E-02
 H   -6.42947817       10.0203676      0.812247694    
 O   -5.11228561       5.54513121       1.78094101    
 H   -4.37732697       5.80946684       1.20483625    
 H   -5.38540030       6.32264376       2.28987932    
 O   -1.75658143       8.21139908       4.97039986    
 H   -1.92327940       9.16141415       4.96472120    
 H   -2.59442139       7.75054502       5.13884830    
 O    1.89831185       7.61600685       2.83403897    
 H    2.83327603       7.62371635       3.02688813    
 H    1.45213652       7.30589437       3.63719702    
 O   -6.77724266       6.89761543     -0.200481549    
 H   -6.07974720       7.34769058     -0.696660697    
 H   -6.33285332       6.24347782      0.351277232    
 O   -4.06519079       6.78994846       5.18592119    
 H   -4.83658600       7.11929560       4.70777559    
 H   -3.90485620       5.90370417       4.83748722    
 O   0.656246781       5.53227663       1.18860900    
 H   0.114024408       5.15169811       1.89678502    
 H    1.16732657       6.23347044       1.60241580    
 O   0.475321591       6.71759558       5.07362604    
 H  -0.307677358       7.29521132       5.11513329    
 H   0.712131083       6.50945950       5.97382164    
 O  -0.958175659       11.4326601       2.06678033    
 H   -1.37982798       11.3776779       2.92924762    
 H   -1.66546035       11.5603838       1.41552150    
 O   0.308830053       9.22885036       1.13248253    
 H   0.943537891       8.83327675       1.73987520    
 H    5.03977994E-03   10.0806189       1.48742723    
 O   -2.96272397       11.5799065      0.105397642    
 H   -2.74672031       11.1193972     -0.715272665    
 H   -3.90510011       11.4291048      0.233616441    
 O  -0.704959393       5.68999434      -1.11294651    
 H  -0.437633842       4.98545742      -1.69606602    
 H  -0.167236507       5.60644388     -0.303167254    
 O   -2.54564142       9.99435806      -2.25304317    
 H   -1.76564717       9.46807575      -1.99747193    
 H   -2.35752130       10.3675995      -3.10965133    
          69
 Energy    -248.31014356683613     
  O     16.54714140      9.97682103    -15.22414270
  H     17.34165101      9.42874752    -15.16013022
  H     18.18187922      5.28069762    -15.44051209
  O     13.91512503      7.69210405     -9.57319258
  H     15.78694503      9.39260045    -15.35861388
  H     15.97710515      8.05596188    -11.88192484
  O     16.81317882     12.68547754    -15.13040877
  H     14.27379149      8.59106816     -9.45355087
  H     15.35455043      7.20408900    -10.75005501
  O     14.42615680      8.22415338    -15.39575636
  H     13.84332423      7.30803208     -8.70348382
  H     18.65214262      7.29997039    -16.16050353
  O     18.80035505      8.42178036    -14.77407843
  H     16.67864258     11.72832110    -15.23820494
  H     19.18269148      6.63321303    -17.44957820
  O     20.59569168     10.20926558    -13.63066200
  H     16.62886711     13.08628745    -15.97599539
  H     18.15304456     13.58162278    -10.22655014
  O     18.40682521      6.67155258    -12.65584827
  H     14.75473143      7.70053957    -16.14247236
  H     17.85563577     12.13434811    -10.68311576
  O     12.19047329      7.50878791    -11.78253646
  H     14.32956200      7.59145870    -14.67292280
  H     16.57679651      6.53172307    -17.12999047
  O     15.56231083     13.31239011    -12.62708264
  H     19.48094954      9.04110329    -14.48087068
  H     15.43279944      5.65817164    -16.59164297
  O     12.71403114      9.72640405    -13.59198269
  H     18.62190910      7.83224490    -14.02599346
  H     15.30163673     10.22843059    -12.26256755
  O     13.95433599     11.30509182    -11.70063918
  H     21.50528321     10.45539506    -13.77539828
  H     16.27317173      9.85123595    -13.42189852
  O     17.92471752      4.81341245    -14.63629482
  H     20.08624298     11.03779288    -13.57458414
  H     18.39448815     12.60863717    -14.10073081
  O     15.91420281      7.15156115    -11.53174828
  H     17.57335212      6.74524437    -12.17195927
  H     18.78491016     12.73106734    -12.61401524
  O     18.46680250      6.61052406    -16.81950511
  H     18.31395621      5.91475676    -13.25360781
  H     18.46382237      9.85158483    -10.48797983
  O     17.90870482     13.05740519    -10.98473775
  H     11.29253432      7.40994346    -11.47395975
  H     17.13431982     10.19570702    -11.16721042
  O     15.61545123      6.44674232    -17.11821590
  H     12.74686244      7.60352668    -10.99323676
  H     14.84076645      6.44369916    -12.78190817
  O     16.07186905      9.69139408    -12.49426738
  H     16.32414039     13.32895182    -12.03451282
  H     13.31438322      6.51175007    -12.94378688
  O     19.11507756     12.45458728    -13.47791622
  H     15.92049310     13.17516175    -13.51227196
  H     19.40375658      7.96785359    -11.62314169
  O     17.67443487     10.40169395    -10.38836225
  H     13.20346249      9.34413686    -14.32983162
  H     20.12372647      9.27504598    -11.98808560
  O     14.11869626      6.21968311    -13.38802849
  H     12.47167002      8.98688133    -13.02160831
  H     15.92949243     10.24929136     -9.51665235
  O     19.74576842      8.78842900    -11.24587773
  H     13.40774760     10.91336303    -12.39681497
  H     14.54798465     10.66093856    -10.08847362
  O     14.97887466     10.14955303     -9.38657801
  H     14.38940385     12.09905278    -12.04806029
  H     14.62010062      3.58329300    -15.19748495
  O     15.13844040      4.38353470    -15.16671027
  H     17.00404021      4.55925163    -14.77261423
  H     14.70870126      4.97079557    -14.52293708
          69
 Energy    -248.30993912046915     
  O     17.28977641     11.01613287    -14.55442185
  H     16.48933910     11.54591177    -14.65136037
  H     11.58670787      8.82197872     -9.63057533
  O     15.33216604      6.67332076    -11.19068240
  H     17.45949216     10.96199823    -13.60680299
  H     14.66501969     12.26143099    -11.32866117
  O     11.70840163      8.43451966    -13.16462809
  H     14.38303917      6.56532732    -11.04471765
  H     16.16664926     12.20975620    -11.69408603
  O     13.46914096     11.10447400    -10.47723089
  H     15.49881095      6.35905857    -12.09028547
  H     15.15400653      8.42351425    -11.59285373
  O     19.14771926      8.44653336    -11.74673088
  H     12.38399357      8.95155747    -13.62274135
  H     14.48124184      9.82910960    -11.35029614
  O     12.85313433      6.50650303    -17.08570423
  H     11.46382804      7.70368725    -13.75329645
  H     17.50231368      9.60503174    -15.52898619
  O     15.46360148      5.83770545    -13.84651029
  H     13.62599799     10.83200892     -9.56258917
  H     18.19081090      8.95521034    -16.75431444
  O     13.84783438      9.80496523    -14.31562217
  H     12.56332687     10.85298397    -10.69759249
  H     12.81914969      5.13693609    -12.33629337
  O     16.60679479      9.90750434     -8.89301633
  H     20.09059374      8.30468516    -11.76644496
  H     12.85696301      3.65321370    -12.76422698
  O     14.06399424      9.96835673     -8.00904261
  H     18.77054896      7.92337561    -12.47659721
  H     17.26852812      6.49934376    -13.79815050
  O     17.52029665      7.42121065     -9.60185273
  H     12.88712152      6.59863945    -18.03421889
  H     17.96320031      7.61244995    -14.60431565
  O     12.07636288      8.18106251     -9.09988452
  H     13.64624189      6.94797166    -16.74347213
  H     10.05234383     10.30397518    -11.13656872
  O     15.34773861     12.68994360    -11.86396706
  H     15.23144794      6.46983449    -14.54085340
  H     11.12933235      9.44485440    -11.83707948
  O     15.05333270      9.31880474    -11.93905662
  H     14.68822917      5.27974106    -13.70930375
  H     12.36311983      6.96077615    -10.37991020
  O     17.58748009      8.77835829    -16.03776155
  H     14.34135219      9.59700385    -13.50478300
  H     12.31271966      7.18456126    -11.90963095
  O     13.03550187      4.53882194    -13.07146027
  H     14.03625277     10.72970978    -14.51069842
  H     11.87019358      5.53586745    -14.28158557
  O     18.04231816      7.07466951    -13.80641871
  H     16.93476989      9.00087937     -9.00355730
  H     11.80043841      6.31066424    -15.61137885
  O     10.95109294      9.99554058    -11.05518967
  H     16.94242774     10.38816156     -9.65308339
  H     14.52661939      8.51053067    -15.36111976
  O     12.56113607      6.54225007    -11.23027959
  H     15.00127254      9.92022615     -8.27213016
  H     15.86372433      8.09085525    -16.02433556
  O     11.39550919      6.24152060    -14.73478871
  H     14.05183663     10.24890770     -7.09784881
  H     14.58904054     13.28434760    -14.91144023
  O     14.96950945      7.78639261    -15.82753028
  H     16.77332852      7.03238244    -10.07791218
  H     14.95873570     12.61651148    -13.56540321
  O     14.81151035     12.44720055    -14.51362469
  H     18.15918547      7.67297130    -10.27948660
  H     16.59829852     10.16170504    -11.80803330
  O     17.42202729     10.66476079    -11.69030319
  H     12.77011658      8.68179497     -8.65429259
  H     18.12890152     10.00627201    -11.65865770
          69
 Energy    -248.30973939757712     
  O     13.52987508     13.39872954    -12.34416045
  H     13.21994945     12.75086024    -11.69278359
  H     18.55105555     11.97857829    -13.88796724
  O     19.33499188      5.99346074    -13.07765871
  H     13.01600280     14.19153612    -12.20537050
  H     11.68412229      9.69757531    -15.52174232
  O     18.30375916      9.52457554    -11.41615914
  H     18.75168568      6.23680472    -12.34771428
  H     12.27733358      9.77511042    -14.09256952
  O     12.14031041      9.40752762    -12.42953152
  H     18.76307872      5.59710031    -13.74713549
  H     16.67563690      9.90749111    -12.12762779
  O     15.61194873      6.48392812    -13.52837489
  H     18.70504637      9.71717336    -12.27540416
  H     15.89108143     11.20562782    -12.34165134
  O     13.58295921      7.17060957    -11.65618350
  H     18.09807235      8.58042080    -11.38177427
  H     13.43181871     11.57714726    -15.04914429
  O     17.52740187      5.26058694    -15.18519007
  H     12.60265425      8.60783455    -12.13423320
  H     13.82330838     12.72931397    -14.10260855
  O     17.24113691      9.75902480    -16.02201051
  H     12.26038040     10.07368272    -11.74738264
  H     15.17447195      8.29394887     -9.39551758
  O     17.29739286      6.93004612    -11.35540963
  H     16.17434684      5.96761958    -14.11825665
  H     15.22455674      7.08920447     -8.42833048
  O     16.39511193     12.43377487    -16.25666455
  H     15.39088002      7.30167722    -13.99917666
  H     20.30562302      7.19935916    -13.89966104
  O     18.68971454      7.38634864    -16.40388035
  H     14.17593486      6.80128725    -12.32322041
  H     21.68146295      7.66959356    -14.42841592
  O     18.00897277     12.77627572    -13.92334693
  H     14.05891592      7.09905150    -10.82187304
  H     16.91692025     13.02617953    -12.54772998
  O     12.45129910      9.97769217    -15.03100141
  H     17.90183786      6.00336544    -15.69264357
  H     15.45424493     13.32212431    -12.04336563
  O     15.82421487     10.24703174    -12.43902314
  H     17.52994044      4.50290362    -15.76364528
  H     16.99515646     12.11060454    -10.24238361
  O     14.00441597     12.35051479    -14.97007890
  H     17.02295791     10.66973369    -16.25349355
  H     17.78738620     10.80501826    -10.08429828
  O     15.31438341      7.33378352     -9.34591771
  H     16.44544540      9.39574024    -15.60560260
  H     18.47585325      9.99037315    -14.66685830
  O     20.74910961      7.86628699    -14.45417321
  H     16.72655413      6.96356012    -10.57943449
  H     19.82844909      9.45520700    -14.14961133
  O     16.30394905     12.94293291    -11.79910029
  H     16.71096811      6.78987665    -12.11428626
  H     12.08996363     11.54204120     -9.72811185
  O     17.25067266     11.44142744     -9.59125103
  H     15.52899907     12.41145685    -15.81175221
  H     13.48170635     10.99435500    -10.11402531
  O     19.15577084     10.12986605    -13.99238084
  H     16.31530775     13.04704850    -16.98237048
  H     15.07372175      9.93345798    -10.78779423
  O     12.71131369     11.48252023    -10.45020334
  H     18.19132072      8.21447329    -16.42702772
  H     15.71035578     10.53916374     -9.53012722
  O     14.94437496     10.02515167     -9.83116549
  H     19.48295907      7.56814178    -15.88512221
  H     15.24438768      9.41670129    -13.86164278
  O     15.01399533      8.90953182    -14.65829262
  H     17.52334933     12.73164732    -14.75634903
  H     14.12587999      9.18098629    -14.91420680
          69
 Energy    -248.30967644493376     
  O     17.45267893     10.79837088    -18.45846433
  H     17.33025822      9.88586662    -18.73701566
  H     17.06968245      6.86116585    -15.26942453
  O     15.45625687      5.77472875    -12.84988116
  H     16.57596145     11.20219446    -18.38720205
  H     18.52437973      6.57705133    -12.27750451
  O     17.24913797     13.80705725    -12.47920267
  H     16.28572709      6.01208332    -12.39238334
  H     17.60295653      7.54890125    -11.48490907
  O     21.33035552      9.00463694    -13.75580862
  H     15.04330730      5.08568103    -12.33747982
  H     20.49645702     10.58685634    -16.55307622
  O     15.31405260      7.11119973    -17.51552811
  H     17.55050364     13.37443851    -13.29395162
  H     20.59125321      9.07198486    -16.84190591
  O     14.18572656     11.31796884    -12.80108810
  H     16.95478378     14.67650416    -12.74057446
  H     18.38127164      8.42360381    -16.15222861
  O     14.78315339      8.53223384    -13.09178828
  H     21.27246269      9.29397133    -14.68516363
  H     18.14044358      9.04964577    -14.74450152
  O     17.94145255     12.35308639    -14.72243482
  H     22.21541758      9.19731499    -13.45950124
  H     14.99755059     12.18271101    -17.06357333
  O     19.91729312      6.54079571    -13.44156891
  H     15.01741347      7.88298088    -17.01230935
  H     14.10435683     12.07021959    -18.30741401
  O     15.11552987      9.26835873    -15.75747011
  H     15.69626700      6.51729305    -16.85706885
  H     16.72992713     10.21028813    -11.14841365
  O     19.30092090      5.33151518    -16.04884708
  H     14.20171660     10.35232668    -12.80686308
  H     16.20796639      9.08291520    -12.07427758
  O     16.73877719      5.95062365    -15.33634115
  H     14.74964032     11.58195235    -12.06492536
  H     16.01679021     12.35220182     -9.93008532
  O     17.73250895      6.62277552    -11.72148932
  H     14.84972639      7.57493611    -12.99817141
  H     16.58226435     12.63185506    -11.34142455
  O     20.97476136      9.78466043    -16.31208093
  H     14.83373162      8.72432513    -14.03964421
  H     19.68831925      9.76224449    -13.34882472
  O     17.73000924      8.53616048    -15.45045034
  H     18.25251112     11.57537571    -14.23337472
  H     18.25570657      9.81183120    -12.68234992
  O     15.01660797     12.07634047    -18.02824532
  H     18.44385398     12.36867279    -15.54554277
  H     19.51863661      6.85883276    -17.11793498
  O     16.96369643      9.35629283    -11.53242872
  H     20.47026146      7.32256340    -13.55980590
  H     18.80931156      7.77238326    -18.17123759
  O     16.15844531     11.95542922    -10.78583612
  H     19.82171959      6.14205611    -14.31248885
  H     16.13639346     12.16778919    -15.10014027
  O     18.79354353     10.11390408    -13.42728512
  H     15.04240610     10.22822174    -15.70669564
  H     14.76334558     11.90021710    -14.41977396
  O     19.50485254      7.74616305    -17.50064850
  H     16.06633259      9.07340591    -15.73277256
  H     19.76663444     12.70101302    -17.67549805
  O     15.19378678     12.04342095    -15.27501678
  H     19.48671302      4.40382310    -16.17028849
  H     18.70807273     11.57539805    -17.61255370
  O     19.39818873     12.03630467    -17.09947928
  H     18.36030588      5.40162335    -15.81012988
  H     17.07282000      7.75924856    -20.07581303
  O     17.26526306      8.00779776    -19.17555142
  H     16.24807755      5.77529894    -14.52465457
  H     16.53608135      7.66667871    -18.62838225
          69
 Energy    -248.30932596873689     
  O     14.36986695      8.46099545    -15.80106415
  H     15.11546572      8.83201758    -16.29858579
  H     16.55774542      7.06260267    -19.40346310
  O     13.58027637      8.81954552    -19.53090274
  H     14.71151909      8.17183664    -14.94648200
  H     15.84454529     10.49031686    -21.00799266
  O     12.54605218      9.98292704    -17.07587472
  H     13.17669510      9.23467834    -18.76294542
  H     14.98966754     11.65598893    -20.46112452
  O     16.21178784     15.55291818    -18.25476530
  H     13.98962736      9.52989119    -20.04735172
  H     17.45227935     14.83604255    -15.49685605
  O     16.05520919     14.72307757    -14.16680520
  H     11.64379579      9.82483422    -16.80989752
  H     18.39352401     13.91552655    -16.29990717
  O     18.80063094      9.22556654    -15.86782180
  H     13.10780087      9.39454338    -16.54028342
  H     14.35698418      7.30956976    -19.66811578
  O     14.17862578     12.26301977    -16.82843676
  H     16.50030011     16.37446297    -18.64310509
  H     14.46826766      5.96094293    -20.42190674
  O     16.43653638      9.44882108    -17.35064150
  H     16.89733453     15.28947796    -17.61507494
  H     14.80578226     15.33035681    -16.93799886
  O     15.65868041      7.56339121    -13.47051249
  H     15.86229642     15.24884430    -13.39589503
  H     14.05348609     14.09677224    -16.40738526
  O     17.22598686      9.73770273    -13.59078762
  H     15.35477182     14.90539495    -14.81914696
  H     16.58320955      6.39089911    -14.69924072
  O     16.25925281     12.02704429    -14.93747338
  H     19.10725246      8.37066644    -16.18528866
  H     16.10980220      5.72746626    -16.00278404
  O     17.35445997      7.58687419    -19.23965994
  H     17.94441507      9.34596786    -16.30754928
  H     16.81118864     12.18906566    -18.99612342
  O     14.93727007     10.79677149    -20.89910567
  H     14.85247203     12.04420648    -16.16977034
  H     17.73121710     11.05590732    -19.54587616
  O     17.96552600     14.78077001    -16.31275495
  H     13.56918373     11.51859839    -16.89576091
  H     18.40197508     11.94525794    -17.26924904
  O     14.85747013      6.47288025    -19.71851299
  H     16.64708642      8.75716541    -17.99225456
  H     19.02205744     11.15954747    -16.09539555
  O     14.27467787     15.01451409    -16.19634724
  H     16.65177469     10.28251972    -17.78565792
  H     14.61880419      5.95909448    -17.91276768
  O     16.89778565      5.89776832    -15.46443709
  H     16.23381913      8.34843368    -13.41863534
  H     14.35637905      6.72406999    -16.60304125
  O     17.56138624     11.61777306    -18.78017899
  H     15.41666579      7.33590283    -12.57736353
  H     17.60989244      8.95238478    -20.35596546
  O     18.70164376     12.03258209    -16.34958516
  H     17.91757121      9.51657135    -14.22872319
  H     18.23467642      9.58110507    -21.62319346
  O     14.58045050      5.85273012    -16.95530283
  H     16.80011522     10.53574539    -13.93042389
  H     18.20206338      6.32047711    -16.47794010
  O     17.67293978      9.77100303    -20.87623518
  H     17.09140506     12.04511937    -15.43165052
  H     19.57689231      5.92997995    -17.06946341
  O     18.90236995      6.60311280    -17.09636622
  H     16.17224920     12.89597088    -14.52426425
  H     15.56793847     13.99172127    -19.04890334
  O     15.28462588     13.08676164    -19.22998590
  H     17.90476910      7.14670434    -18.57875176
  H     14.82752934     12.77912507    -18.43215903
          69
 Energy    -248.30885732365311     
  O     20.58663149     12.46155892    -19.42203674
  H     21.19049949     13.20510694    -19.24809403
  H     14.83984005     11.72555727    -14.05283336
  O     17.54906857     16.97326047    -14.02103782
  H     20.97750500     11.94727248    -20.12369119
  H     22.70597791     15.91730818    -13.98734676
  O     15.91660090     13.11663025    -13.77314658
  H     17.82513611     16.25082530    -14.60498154
  H     21.18056742     15.97563448    -13.74717503
  O     16.95303730     11.78185547    -17.62916007
  H     17.19983062     17.64937192    -14.61145341
  H     18.49166943     11.37606605    -13.72780192
  O     15.83897175      9.64247247    -16.17216245
  H     15.85493823     13.89113029    -13.19577793
  H     19.21605452     12.73075718    -13.89719370
  O     22.24247122     14.54608969    -18.94788857
  H     16.81934415     12.78319015    -13.68374680
  H     17.55011137      9.76570873    -15.26373715
  O     21.45613017     16.42671444    -17.15772120
  H     17.87785697     11.71676557    -17.34834299
  H     18.93488206     10.34064891    -15.61109090
  O     16.22420934     15.30486150    -12.16797181
  H     16.50327593     11.01415590    -17.25629304
  H     15.38297758     15.62766444    -17.16623256
  O     20.28210274     13.52709917    -15.11870311
  H     15.44879299      8.80015446    -16.39026269
  H     15.94471606     16.37913613    -18.38773729
  O     17.94921551     13.53568994    -19.60175783
  H     15.25323888     10.06293985    -15.51879371
  H     19.54498838     15.53971475    -12.09145754
  O     18.81711033     17.31476860    -17.63849737
  H     21.95163266     15.21149165    -18.30102933
  H     19.11079043     16.68349722    -13.02826547
  O     14.32840806     10.94500431    -14.32198210
  H     23.07453468     14.86461744    -19.28715874
  H     16.15275298     19.32223770    -16.32129796
  O     21.86465978     15.73930585    -14.39894222
  H     21.55366058     16.28012509    -16.20967017
  H     16.11573434     17.81599980    -16.67525058
  O     18.56551875     12.26512248    -13.35203261
  H     20.60185634     16.85362676    -17.29971123
  H     18.63704162     13.35141975    -11.92594204
  O     18.40630192      9.98955234    -14.88143853
  H     16.99245676     14.95756832    -11.69782463
  H     18.85933858     13.63878072    -10.42584940
  O     15.41984353     16.49797882    -17.58636051
  H     16.56891122     15.99215734    -12.75456627
  H     20.04449248     11.74349214    -17.78313849
  O     19.88493950     16.26596505    -12.62787425
  H     19.57048275     14.09675350    -15.45715575
  H     19.97780000     12.20000717    -16.30665872
  O     16.64177477     18.50865456    -16.23452599
  H     20.99223307     14.12463740    -14.86318930
  H     17.43143902     14.74871955    -16.20091861
  O     18.66569713     14.05877733    -11.26027128
  H     18.86224567     13.22418250    -19.61481691
  H     18.49963568     15.81640155    -16.61311713
  O     19.65513050     11.52968150    -16.92672225
  H     17.46887747     12.90942927    -19.04583673
  H     17.53989118     15.20725576    -19.68469637
  O     18.28906428     15.12813143    -15.96977145
  H     18.37505582     16.99082042    -18.43579122
  H     17.19105465     16.38174108    -20.62624317
  O     17.31626886     16.15515589    -19.70866609
  H     18.18347883     17.87525438    -17.17277821
  H     15.72480605     13.72477859    -15.48382421
  O     15.80089880     13.98944678    -16.41081227
  H     13.45087421     11.07151934    -13.97112139
  H     16.11033557     13.21188895    -16.89576736
          69
 Energy    -248.30871299577916     
  O     12.95775971     14.48800053    -12.48695290
  H     13.73449232     14.55014889    -13.06805255
  H     13.87296527      9.78009775    -15.68065856
  O     16.33286033      9.89733296    -17.50913396
  H     12.27760658     15.02957715    -12.87959596
  H     14.59369448     12.45935385    -18.29508830
  O     15.23092807      8.61841143    -11.76583460
  H     16.90674140     10.06319117    -16.74777609
  H     15.43004857     11.38372123    -17.56211063
  O     16.99201381     15.35477350    -11.70810403
  H     15.74552909      9.18159549    -17.23308129
  H     17.87128506     12.23987241    -11.81433720
  O     14.62192523      8.18147843    -16.05622412
  H     15.00965770      7.72821893    -11.46662090
  H     17.96835275     13.77221399    -11.98040646
  O     14.46312027      5.95103519    -11.35157127
  H     14.42122540      8.99999610    -12.13750265
  H     13.27479650     11.95293142    -10.57998811
  O     15.55992707      5.41449917    -13.78267122
  H     16.22982033     15.21394396    -11.11803896
  H     12.68064752     12.74756199    -11.75558825
  O     15.49509825     11.80037478    -13.77912874
  H     17.36432563     16.20253168    -11.48044948
  H     16.84386704     10.90852668    -14.62249528
  O     12.87114437      9.65349552    -12.86579450
  H     14.07022326      7.39634838    -15.96199072
  H     18.28888577     11.12753267    -15.07633173
  O     16.62076660      8.02020043    -14.12206463
  H     15.32066515      8.10462376    -15.38948934
  H     12.77761596      6.25073907    -14.51908652
  O     19.05166340     12.82732952    -14.87578811
  H     14.89207048      5.66266939    -12.17772048
  H     12.53986570      5.30666650    -15.72310780
  O     13.56014216     10.65919453    -15.41529622
  H     14.56597504      5.24112524    -10.72425376
  H     15.41220959     11.79790591    -10.02347127
  O     14.89910637     12.19034425    -17.43216211
  H     14.82128508      5.44236206    -14.40379514
  H     14.90874595     11.74823202     -8.56098006
  O     18.38551562     12.93915289    -12.23501743
  H     16.10091450      6.19203166    -13.97643219
  H     15.78783417     14.55398753    -14.71604043
  O     12.65292621     11.89000798    -11.31408840
  H     15.44702146     12.76141730    -13.84952165
  H     15.95507941     14.93482508    -13.20949334
  O     17.59014687     10.46407971    -15.05234608
  H     14.74699234     11.42694251    -14.26156730
  H     16.15554560     10.14291888    -11.29441099
  O     13.17931149      5.89593327    -15.33313169
  H     12.94647980      9.99715660    -13.76398918
  H     16.04240690     11.40734792    -12.14917317
  O     14.77996593     12.18906636     -9.39665695
  H     12.70654721     10.41456606    -12.28808083
  H     12.34633779      7.87158921    -12.91576418
  O     15.32456908     14.61307389    -13.86622855
  H     16.20523810      8.26518732    -13.28297487
  H     12.88162725      6.55554532    -12.31041553
  O     16.39700747     11.07879627    -11.30699594
  H     17.14651875      8.77775869    -14.40947582
  H     14.75759412     13.98862581     -9.85792789
  O     12.28568496      6.90846749    -12.98193623
  H     19.95660541     13.10778620    -14.98229475
  H     14.02992359     14.82762403    -10.92646031
  O     14.75183380     14.85489278    -10.28623688
  H     18.85353911     12.87600676    -13.92312008
  H     16.17262094     13.36957319    -16.58567752
  O     16.70386836     14.02228256    -16.11277003
  H     13.83429494     11.26382887    -16.11561034
  H     17.50878366     13.58238447    -15.81297458
          69
 Energy    -248.30848192359065     
  O     10.07318792     10.13235531    -11.27942988
  H      9.31952918      9.95608119    -10.72316302
  H     14.44635851     13.40303628    -15.50823259
  O     14.68037223     10.60839466    -12.85016465
  H     10.84664965     10.20822561    -10.69181161
  H     17.90867370     11.46517913    -15.74153839
  O     16.86131394     13.71460198    -13.96728179
  H     14.40936939      9.87677196    -12.27969195
  H     18.52969214     12.40071590    -16.80726054
  O     15.96325869      7.10850994    -12.38021095
  H     15.59162065     10.85713690    -12.64545256
  H     13.52059201     12.96500306    -10.88776647
  O     10.78041705     11.84436641    -13.37978753
  H     15.97978154     14.03123292    -14.19803149
  H     13.36708829     13.61059614     -9.49226435
  O     11.97234556     15.08882935    -16.34530042
  H     17.23312096     13.36258095    -14.78581659
  H     17.85975330     10.50948060    -13.75444696
  O     14.97321986     12.09294416    -16.68788926
  H     16.06573490      7.35431677    -13.31098761
  H     17.50111161      9.35613027    -14.73306990
  O     13.24325604     12.88757960    -12.63093761
  H     16.84713517      6.95843737    -12.05167059
  H     15.45772314     12.23132956     -9.77081111
  O     14.21245873      9.76600464    -15.37592859
  H     10.43299392     11.32010573    -12.64750017
  H     16.39289613     11.33255008     -8.95176706
  O     12.34574909     10.29542257     -9.81555034
  H     11.59973849     12.25741764    -13.07348407
  H     11.11518556     10.22979196    -16.12723934
  O     10.58790414     11.25696993    -17.58880712
  H     11.58874352     15.93689741    -16.55071583
  H     11.25016412     10.57735052    -14.62859597
  O     14.18373910     14.11798839    -14.90998226
  H     11.24260952     14.51333954    -16.05255985
  H     15.47033010      8.53071046    -15.26032957
  O     17.74123960     12.25068368    -16.29312068
  H     15.93657305     12.15266341    -16.67443211
  H     16.31528668      7.36361582    -15.81864711
  O     13.70615946     12.83994341     -9.94141992
  H     14.73295486     11.24316201    -16.29309336
  H     12.49168211     13.73133108    -17.63141247
  O     18.05337009     10.13821281    -14.62755474
  H     13.53505392     13.43273229    -13.37333432
  H     13.53897937     12.60533648    -17.73209666
  O     16.35753121     11.87577971     -9.73620893
  H     13.72786964     12.04905767    -12.70487808
  H     10.89649389      8.78274019    -12.40511725
  O     11.46170513      9.90092232    -15.28869007
  H     14.40500298     10.09380647    -14.48211136
  H     11.46050678      8.63398609    -13.82751246
  O     16.22432973      7.94713800    -15.06908436
  H     13.24962148      9.72695740    -15.44600059
  H     17.06503824     11.67346518    -11.40139485
  O     12.68808135     12.90185100    -18.08334956
  H     12.92390417      9.63413165    -10.22307390
  H     17.12896289     12.36753219    -12.80654759
  O     11.50142848      8.25489170    -12.94139012
  H     12.83859191     11.12231708     -9.78197339
  H     10.05934250     12.62142587    -16.31386446
  O     17.21952977     11.51940880    -12.34289480
  H     10.13326793     11.04111063    -18.39829841
  H     10.18157413     12.86534856    -14.79715953
  O     10.04405328     13.31431073    -15.64264630
  H     11.35635399     11.80326135    -17.83467449
  H     14.49388496      7.88543291    -11.63746399
  O     13.76653483      8.47154569    -11.38955924
  H     13.46933110     14.58928231    -15.35596340
  H     13.00590012      8.26540815    -11.95650871
          69
 Energy    -248.30834640574074     
  O     -4.21315406      0.75850668      0.93845020
  H     -4.73289808      1.55784570      0.94330402
  H      2.23659511     -1.87467238      2.81124434
  O     -3.57848124     -2.26584520      6.72278475
  H     -4.11899079      0.47773431      1.86560007
  H     -1.57466400     -2.73002824      1.60943004
  O     -1.08203658     -0.23472665      3.73472875
  H     -3.87534095     -3.05709717      6.25878001
  H     -1.28719574     -1.36290609      0.89419822
  O     -3.84015395     -0.20150483      3.44979089
  H     -2.63221640     -2.18941743      6.53930169
  H     -3.27633197     -3.87927583      2.01212008
  O      1.82809269     -2.67505271      5.78898639
  H     -0.36389208      0.37926988      3.54529448
  H     -2.05035441     -4.47604258      2.72774254
  O     -4.16270252     -4.52314985      5.03192954
  H     -1.05440798     -0.89283754      3.02055638
  H      1.82966010     -2.76068868      0.67513764
  O     -0.93240538     -2.12979823      5.75836159
  H     -4.29165301     -0.06296744      4.29562709
  H      0.60457831     -2.65890641      1.60007987
  O      1.20373771     -4.73739394      3.86560656
  H     -2.88922814     -0.13534911      3.61215415
  H     -4.64912728     -3.39178918      3.55027748
  O     -1.83225073     -0.07005280     -0.33031717
  H      2.09877681     -2.12112185      5.03410805
  H     -4.35749345     -1.96015977      3.03607584
  O     -0.34896301     -3.07004099     -1.83159858
  H      2.54680781     -2.66025763      6.41508713
  H      2.59589988     -1.97770616     -1.66921180
  O     -0.32427120     -5.04018827      0.11325992
  H     -3.21765466     -4.67294221      4.86111053
  H      1.10996598     -2.27913585     -1.36028755
  O      2.44045109     -1.28976998      3.55125363
  H     -4.53423051     -5.36961753      5.26886111
  H      1.08923942      0.94807475      1.82070905
  O     -1.02656067     -1.93500839      1.62634254
  H      0.00398992     -2.30540187      5.91568637
  H      1.55188781      2.01976770      2.83535800
  O     -2.42476269     -4.30523686      1.85075044
  H     -0.97474743     -1.40213925      5.12187917
  H     -0.05849526      0.43554128     -0.09781895
  O      1.48029154     -3.07080675      1.52018835
  H      1.41756955     -4.27513496      3.04630179
  H      1.31329824     -0.24952806     -0.24907250
  O     -4.62675824     -2.84591979      2.75510959
  H      1.50686093     -4.15801918      4.57641275
  H     -3.68254181     -2.11213869     -1.24941375
  O      1.92791381     -1.89386338     -0.99426325
  H     -2.16872230     -0.65539905     -1.02132076
  H     -3.49582206     -2.05931382     -2.78064024
  O      1.18070454      1.14408845      2.77102257
  H     -2.60346796      0.33100087      0.09089201
  H     -4.48810400     -0.82176882      6.29375149
  O      0.87067802      0.50354245      0.16036585
  H     -1.25906512     -2.77641160     -1.93969207
  H     -5.41545348      0.35520898      6.64878475
  O     -3.01753555     -2.03345408     -1.95561486
  H     -0.38366477     -3.84508428     -1.25055232
  H     -1.35580449     -3.68535738      4.89511263
  O     -4.94457464     -0.04575458      5.92422678
  H      0.38620610     -4.65808192      0.63757346
  H     -0.56552480     -4.82524251      4.23794591
  O     -1.46517964     -4.53764045      4.44916990
  H     -1.12442283     -4.94202305      0.64770769
  H     -4.75751081     -0.96717949      0.29830898
  O     -4.82412055     -1.90574263      0.08082476
  H      2.08000839     -0.42561698      3.31938568
  H     -4.91188945     -2.35640541      0.92925459
          69
 Energy    -248.30830247687663     
  O     -2.91044520      0.81905774      4.00755806
  H     -2.88101567      0.79069518      4.97505357
  H      0.39557605     -1.99790270      4.03155475
  O     -1.95848483      3.19962855      7.39008015
  H     -2.93722681     -0.09758418      3.70505150
  H     -1.45286098     -4.04494067      8.15962251
  O      0.46994306     -1.25992297      1.05650790
  H     -1.94879049      3.63582203      6.51918741
  H     -0.99236048     -3.85998942      6.69518521
  O      1.89388781      0.98555150      2.00048689
  H     -2.28546314      3.84076052      8.01531353
  H      0.30413017     -0.84822425      6.62440367
  O     -1.72724952      0.16229606     -0.15815247
  H      1.11072331     -0.56547335      1.25954299
  H     -0.60774502     -1.66596594      7.56560711
  O     -2.83016335     -1.90285295      3.44638906
  H     -0.26421094     -0.81140434      0.62170167
  H     -0.26840118     -3.94206006      4.50820429
  O     -3.74328871     -1.31575149      0.93883490
  H      1.89140029      1.86907881      1.61579517
  H      0.09308115     -5.37494155      4.92493182
  O     -3.29744358      3.18732648      2.74058526
  H      1.13309040      0.97719449      2.60255028
  H     -0.21839382      2.41858202      7.51788068
  O     -1.84686327      4.32437086      4.93827002
  H     -1.76263505      0.03995201     -1.10461816
  H      0.39342520      1.00829157      7.62582386
  O      0.74300362      3.88797962      4.06556364
  H     -2.47423173     -0.33848424      0.21103746
  H     -3.43940914     -1.17870464      6.41435313
  O      1.28647973      3.67340018      1.30566816
  H     -1.89553665     -2.14911335      3.42388904
  H     -2.88531201     -2.60052702      6.60256237
  O     -0.11250106     -2.53885179      3.40975234
  H     -3.15663643     -2.07443053      4.34189756
  H     -1.11193713      1.11893346      3.85636347
  O     -1.36899802     -3.39773083      7.46409871
  H     -4.57228131     -1.75144733      0.75985514
  H      0.03539742      2.16156317      4.02778708
  O     -0.28545540     -0.77404374      7.39150886
  H     -3.47017898     -1.61419132      1.82212588
  H      1.91748489      2.49522625      6.48531451
  O     -0.36188925     -4.59173270      5.22357348
  H     -3.25298104      2.31371121      3.16781444
  H      3.24869209      3.27749966      6.43240804
  O      0.61896499      1.93938225      7.51090850
  H     -4.21310861      3.33801003      2.51928952
  H      3.11292118      0.69046642      3.46408835
  O     -3.52937403     -2.08713948      6.09953045
  H     -2.38121250      4.05850111      4.18169835
  H      3.26330524      1.34794654      4.85008962
  O     -0.15503237      1.22672809      3.88293528
  H     -0.92768251      4.32375636      4.63460891
  H     -1.93542782      2.99013919      1.43901390
  O      2.59828492      2.84669592      5.88329401
  H      1.04653430      3.90628892      3.14880403
  H     -1.38460590      1.89216393      0.50136804
  O      3.47130750      0.54826325      4.35073565
  H      1.48196705      3.62870544      4.63237752
  H     -1.83024926      0.10062198      6.95730950
  O     -1.21707815      2.78461333      0.82910015
  H      1.53977003      4.29853112      0.63253013
  H     -2.54484924      1.46883927      7.05109660
  O     -2.65490304      0.56127091      6.74175972
  H      0.37979611      3.38161964      1.09343223
  H      0.65768944     -0.06697336      4.74959554
  O      1.19472489     -0.79378076      5.10526602
  H      0.10611993     -2.21438344      2.52401035
  H      2.11081865     -0.52981719      4.94889131
          69
 Energy    -248.30828315738952     
  O     17.32974736      9.20080776    -15.25205054
  H     18.12449144      8.70729979    -15.01906168
  H     18.41226345      4.74596476    -13.96412673
  O     13.24424645      9.23199128    -10.68603660
  H     16.90451888      9.43669694    -14.41057614
  H     14.97769883      7.03890548    -12.21898653
  O     17.10019421     11.94184891    -15.52489747
  H     13.65979102     10.11086906    -10.63720670
  H     14.65937746      8.05465285    -11.08025703
  O     15.10877052      7.70848628    -15.94846266
  H     12.68729220      9.15376982     -9.91557010
  H     19.30546300      6.33154575    -15.18783165
  O     19.47350187      7.79191031    -14.19138079
  H     16.14329775     11.98847182    -15.40725815
  H     19.87506801      5.20692916    -16.08035630
  O     20.91776656     10.04830484    -13.39592982
  H     17.28447552     10.99278148    -15.59114453
  H     17.25224869     12.81046684    -13.81719856
  O     18.10762543      7.05614375    -11.88622115
  H     15.90630926      8.23623746    -15.79609580
  H     16.39856679     13.56792010    -12.78811001
  O     12.41195183      8.39801252    -13.30569745
  H     14.37353362      8.32749744    -16.02323805
  H     15.91616733      6.04870557    -16.41647576
  O     12.90379580      9.53232682    -15.70638690
  H     18.99486955      7.56443929    -13.37877405
  H     17.28589634      5.34119517    -16.24515443
  O     14.46053694     11.54435420    -14.51686181
  H     20.06897894      8.52100683    -13.97840944
  H     16.44852259     10.39491712    -12.28870384
  O     14.45777037     13.58463125    -12.68530346
  H     21.84985744     10.23727674    -13.32066403
  H     15.73398958      9.04654536    -12.53219907
  O     17.96814893      4.59152149    -13.12172747
  H     20.49597035     10.85880377    -13.72842557
  H     18.99117404     12.20511610    -14.96777581
  O     15.37643211      7.58551085    -11.52521417
  H     18.10807205      6.13226400    -12.17872489
  H     19.21085395     12.84271113    -13.60801237
  O     19.08213804      5.49971424    -15.63778784
  H     17.19245941      7.25880013    -11.65195843
  H     17.98642774     10.75789966    -10.88216440
  O     17.29711745     13.26257185    -12.96250922
  H     12.61425497      8.75104292    -12.43125079
  H     17.41961508     12.06690622    -11.54435511
  O     16.34450599      5.18332192    -16.39289488
  H     12.88764978      7.55876340    -13.37377915
  H     14.52697573      5.37534228    -13.77218587
  O     16.00881442      9.86344479    -12.96520290
  H     12.11732689      9.52386592    -16.24548037
  H     14.57771967      6.76288881    -14.45801683
  O     19.65749176     12.31185746    -14.27728499
  H     12.65509063      9.16187542    -14.83901887
  H     18.94512752      8.63715775    -11.20685258
  O     17.21435876     11.34047347    -10.94020893
  H     14.95078972     10.95039319    -13.92537171
  H     19.89470169      9.71069650    -11.78019869
  O     14.24507188      6.29314898    -13.67923647
  H     13.86369603     10.98058827    -15.02175578
  H     15.43432416     11.53307548    -10.47034994
  O     19.26862974      9.53682223    -11.06848029
  H     13.86458758     14.30307085    -12.89009694
  H     14.34798719     12.36787237    -11.16203689
  O     14.47515388     11.64953294    -10.53277699
  H     14.34352111     12.91746623    -13.38384054
  H     15.11976224      2.93864520    -14.45301953
  O     15.42204807      3.81716684    -14.23986063
  H     17.09439381      4.25541542    -13.35376057
  H     15.72944694      4.22133620    -15.07246069
          69
 Energy    -248.30825945285187     
  O     13.15909020     12.17881916    -14.74526338
  H     14.01254913     12.61832486    -14.66205401
  H     18.65503375      7.36562066    -12.98022603
  O     15.30113709      6.76691444    -13.57400790
  H     13.31713198     11.41165064    -15.31442409
  H     16.72254841     11.15423152    -17.10968124
  O     17.85336384     10.01102056    -10.89735800
  H     14.78124272      6.97227360    -12.78187038
  H     17.81135762     10.95363074    -16.04689474
  O     18.56323496      9.41845574    -15.25235320
  H     16.20750592      6.57665363    -13.30743278
  H     16.82875453      9.38971358    -14.61082068
  O     13.43535247      7.15581388    -15.60602446
  H     17.21760608     10.55658160    -11.37964573
  H     15.72171511      8.47126929    -13.99830859
  O     14.72682976      9.59018105     -8.54141989
  H     17.77020223     10.24289197     -9.96035466
  H     10.81284808     11.38205380    -12.76542322
  O     13.65373961      7.57701729    -11.50779452
  H     18.54865503      8.52336403    -15.61616348
  H     12.15813173     11.43478585    -13.52598729
  O     15.95123604     11.37312375    -12.39719159
  H     19.02630146      9.36930367    -14.40547121
  H     17.49871854      6.84652275    -11.33487569
  O     15.83456699      7.28627541    -17.22382867
  H     12.69055454      7.40929003    -15.03894684
  H     17.34325990      8.19966350    -10.61368505
  O     14.89259873      6.78188556     -9.12624814
  H     14.11503285      6.86692841    -14.97868438
  H     11.64999935      9.04962945    -13.44128261
  O     18.18631526      6.71773440    -16.00962359
  H     14.28768336      9.92420022     -9.33484234
  H     12.28493008      7.78671050    -12.84873957
  O     18.09615879      6.60002030    -13.16965613
  H     14.71248417      8.62840551     -8.61434732
  H     20.49492363      8.99564581    -12.32953649
  O     17.18985390     11.60543964    -16.39676876
  H     13.70784360      8.53529766    -11.37985816
  H     19.03511754      9.39924534    -12.01874240
  O     15.94846805      9.38444993    -14.21561493
  H     13.92604699      7.18074366    -10.67144506
  H     16.35005793     10.24337249     -8.31607022
  O     11.64633393     10.93029886    -12.86940630
  H     15.90636437     10.61951294    -13.00964183
  H     17.36785121     11.05327018     -7.49299686
  O     17.15416025      7.25561118    -10.53436408
  H     15.95970540     12.15122638    -12.96469363
  H     15.17633576     10.26228600    -19.00847350
  O     11.78161231      8.10945048    -13.60784721
  H     15.81700818      8.15310634    -17.64642614
  H     14.91238466     10.03481820    -17.50106809
  O     19.60905667      8.97818206    -12.68258001
  H     14.96671181      7.16147782    -16.82056030
  H     14.48018433     10.78758087    -11.47768169
  O     17.26917443     10.56293810     -8.30383526
  H     14.99039573      6.02777633     -8.55196700
  H     12.94662512     10.58867447    -11.59810931
  O     15.59985141     10.01338427    -18.19040687
  H     15.74310043      6.89871034     -9.58866867
  H     16.34304310     12.64237957    -15.23312384
  O     13.72246624     10.33629384    -11.08139170
  H     17.32077920      6.86279235    -16.43232832
  H     16.12897057     14.08294096    -14.72301866
  O     15.86481829     13.17822526    -14.57639086
  H     18.67687768      6.14063319    -16.58923747
  H     14.67666061      9.83752829    -15.40370125
  O     13.94673876      9.86026037    -16.04298061
  H     18.14232327      6.48488458    -14.12822699
  H     13.56650320      8.97400101    -15.99702522
          69
 Energy    -248.30821091504581     
  O      9.98895997     11.99277700    -11.66767478
  H     10.33957448     12.67641584    -11.07690143
  H     13.59897411     12.61469050    -11.86660876
  O     14.18362567      9.61238257    -17.28315058
  H     10.21421757     12.29499280    -12.55497330
  H     16.27063988      9.20070799    -11.56189750
  O     14.65579628      9.61946303    -14.53783825
  H     13.21974381      9.72452940    -17.18873645
  H     16.89456946     10.64245121    -11.49125923
  O     12.20571682     12.85595184     -7.65795964
  H     14.32741448      9.09130658    -18.06795116
  H     15.79580630      7.08145583    -12.97272954
  O     14.40923717     12.44971256    -16.81177306
  H     14.92438751     10.53479728    -14.37308820
  H     15.16424411      8.44582505    -13.34139513
  O     11.90960182      9.87490123    -13.97102499
  H     14.57940187      9.51255796    -15.49522060
  H     14.00981675      7.72177437    -11.29611031
  O     13.83351267      8.32305825     -7.99322458
  H     11.99470773     11.91918073     -7.82133175
  H     12.62889300      8.28424725    -10.86632519
  O     13.93753243     11.20246827    -10.83611486
  H     11.73817193     13.11151741     -6.86736319
  H     18.36746834     12.57392907    -12.32534910
  O     11.75842941     10.24827925     -8.25271801
  H     14.47224729     11.52681247    -17.08625252
  H     16.97165379     12.90510181    -11.74189373
  O     15.88917626     13.97629326    -10.91014659
  H     14.83466245     12.49924764    -15.94605389
  H     11.43145629     12.88665189    -14.99725603
  O     11.57549656      9.85202674    -11.15056954
  H     12.85764149      9.73525777    -14.09705969
  H     11.59770483     11.67797682    -14.04952564
  O     13.47246694     13.42880525    -12.38112518
  H     11.71829970      9.71504593    -13.03945111
  H     13.98393630     12.85865496     -8.16345503
  O     16.43576667      9.95808759    -10.98729521
  H     13.80223470      7.53894687     -7.45098092
  H     15.23606686     11.92778992     -8.34416496
  O     15.43401871      7.88071251    -12.59770177
  H     13.70393903      8.03259862     -8.91326383
  H     14.70646472     12.74908216    -13.62022502
  O     13.34617287      7.69541398    -10.59786648
  H     14.09477120     11.71643888    -10.03197840
  H     16.18173938     12.28265720    -13.62881287
  O     17.46855267     12.25949272    -12.27857291
  H     14.74427710     10.68940157    -10.96628363
  H     11.50540744     13.64539213    -17.47867133
  O     11.43301509     12.63218326    -14.06733504
  H     12.44879780      9.60469620     -8.04800811
  H     12.70320721     12.88050660    -16.86316562
  O     14.80067776     12.73479611     -8.66224626
  H     11.48044001     10.05395851     -9.15384594
  H     15.23940235      9.59525317     -8.04308730
  O     15.36367034     12.26930983    -14.14118047
  H     15.08575333     14.08353475    -11.43238600
  H     16.23948554     10.09648613     -9.09880005
  O     11.73443231     12.97681181    -16.83893401
  H     15.59799810     13.65208203    -10.04498274
  H     11.72060159     13.62742037     -9.34134193
  O     15.90612788     10.27349601     -8.20907855
  H     10.89347101     10.52845088    -11.29440791
  H     12.17681658     13.97070668    -10.78194518
  O     11.40450218     13.88664724    -10.21556693
  H     12.41309017     10.32630119    -11.01565148
  H     11.47504120      9.92113103    -15.83417072
  O     11.57049257     10.11025274    -16.77722146
  H     12.70774237     13.28380244    -12.95738270
  H     11.45460552     11.06432564    -16.87172028
          69
 Energy    -248.30800266901366     
  O     -3.67794687      1.04297332      0.80712510
  H     -3.98830978      0.11957644      0.77118318
  H      0.13540891     -5.82970456      1.79146064
  O     -2.71449386     -2.14093331      6.86932430
  H     -4.30850149      1.56164698      0.31387211
  H      2.08064560     -0.03673351      2.43639819
  O      0.76698335      1.35772775      2.08258731
  H     -1.93681850     -1.58041754      6.75978026
  H      2.36970836     -1.52705236      2.14059374
  O     -3.50600207      0.79714329      3.63008853
  H     -3.38236411     -1.78582372      6.27112846
  H      0.01744320     -2.45991800      1.60474709
  O      2.61470433     -1.74993014      5.26899936
  H      0.15990177      0.90115623      2.69183761
  H     -1.38192435     -2.25770932      0.94817816
  O     -0.09571651     -1.39983243      5.86801495
  H      0.90327349      2.23376561      2.43574222
  H     -1.73930613     -3.49630471      2.69041257
  O      1.59927212     -4.41398486      4.89611506
  H     -3.65587676      0.99671500      2.69908333
  H     -3.15729760     -3.92641061      3.13792805
  O     -4.83348477     -3.09551464      3.15693253
  H     -2.57505332      0.53458045      3.68355097
  H      1.59985801     -3.02490604      0.24660248
  O     -0.97539430      0.87969201     -0.13446186
  H      3.45225154     -1.53769171      5.67147578
  H      1.84211449     -3.82170998      1.57202115
  O      1.86101682     -5.46420356      2.43763326
  H      2.63662659     -1.38687418      4.36509527
  H      0.37367196     -3.89278999     -1.41727042
  O     -1.09497365     -5.09577222     -1.11684944
  H      0.86730717     -1.41463942      5.79765292
  H      0.57071285     -2.39224969     -1.71669371
  O     -0.75784232     -5.89564744      1.43142142
  H     -0.38123575     -2.31522692      5.73196039
  H     -0.62751152     -0.52236655      4.41932820
  O      2.58579863     -0.79805795      2.74016317
  H      0.70624795     -4.39420009      5.26582086
  H     -0.96366735     -0.86325353      2.93356110
  O     -0.90075785     -2.21327599      1.78326526
  H      1.99013888     -3.54781153      5.06099630
  H     -0.68601524     -0.24307989     -1.40066141
  O     -2.23458070     -4.20542282      3.12909895
  H     -5.64170698     -3.59156160      3.26783048
  H     -0.62399147     -0.48188316     -2.92755010
  O      1.71570407     -2.93840813      1.20465307
  H     -4.82420450     -2.41829790      3.85243917
  H     -1.81809737     -2.03364557     -1.23270247
  O      1.03450030     -3.18875075     -1.42938547
  H     -1.86111559      0.98384821      0.23441736
  H     -1.99698230     -3.52056091     -0.82726445
  O     -0.92492064     -0.14312005      3.58139625
  H     -0.34713505      1.07192812      0.57122743
  H     -4.32669656     -0.37724805      4.56241806
  O     -0.61356754     -0.93140843     -2.08708442
  H      2.56837599     -6.10332677      2.44253983
  H     -5.43234269     -0.69335771      5.59751906
  O     -2.30466574     -2.62377231     -0.64165906
  H      1.78008584     -5.12728612      3.34867384
  H     -1.49403819     -4.18554437      4.78594769
  O     -4.74552133     -1.09549761      5.07161696
  H     -1.31328112     -5.85109407     -1.65550924
  H     -1.74490637     -3.60552981      6.19971417
  O     -1.07903098     -4.03870578      5.64793665
  H     -0.96957112     -5.42577365     -0.20855370
  H     -4.59008817     -2.08602571      1.52940390
  O     -4.44319568     -1.54581258      0.74597143
  H     -1.33945118     -5.45125610      2.06200020
  H     -3.78225297     -2.00583089      0.20833573
          69
 Energy    -248.30796336377634     
  O     -1.09166681      1.61837711      1.03808954
  H     -0.38986128      0.94699559      0.93728365
  H      3.07564908     -2.48634006     -1.68475348
  O      3.34453784     -1.12295812      1.25996421
  H     -1.57308361      1.39429146      1.82967598
  H      0.74501673     -0.43181111     -0.41658492
  O      1.45661519     -3.21752270     -2.25850314
  H      3.68171879     -1.55280417      0.46464318
  H      1.64107822     -0.55295204      0.84516994
  O      1.52322522      2.51067025     -2.06199832
  H      3.81344231     -0.28166488      1.33068654
  H      5.49384538      1.63200511      1.45143669
  O      1.55533177      0.15305118     -4.60501579
  H      0.94419494     -2.39016401     -2.21885379
  H      4.16533279      2.33085320      1.08744616
  O      2.53597029     -2.46833727     -4.80133477
  H      0.92768039     -3.89010020     -1.83812870
  H     -0.88725489      1.89392297     -6.35474228
  O      3.35259150      3.83228806      0.81978052
  H      2.10632558      3.04307799     -2.61762327
  H     -0.54007771      2.31574056     -4.90584603
  O      0.31163331     -0.76424169     -2.24157449
  H      2.07226678      1.79170203     -1.72177526
  H      3.77879824      4.86314644     -2.32347540
  O     -0.91721062      2.90270662     -3.27238477
  H      1.01023422      0.77207058     -5.10455163
  H      4.51013929      6.06552848     -1.68740269
  O     -0.49121011      5.66443390     -3.59111999
  H      2.41522514      0.56945520     -4.46184488
  H      0.76678942      4.95665857     -4.84653319
  O      5.02657130     -1.65626127     -4.08959513
  H      2.09873355     -1.60835466     -4.88027789
  H      0.93377212      3.66834183     -5.67400894
  O      3.87038909     -1.98230334     -1.46347737
  H      2.12621105     -2.89999781     -4.04161362
  H      3.82883640      2.94365908     -3.96617162
  O      0.79940629     -0.20942433      0.52023688
  H      3.59619066      4.38961357      0.07116531
  H      2.81552895      4.06823421     -4.37737109
  O      4.62466555      1.47173467      1.09378437
  H      2.38654693      3.80756427      0.82404261
  H     -1.73127493      1.13274252     -0.72751090
  O     -0.15743098      2.05927944     -5.76303456
  H      0.72102212     -0.37022454     -3.02251683
  H     -1.73621833      1.58895592     -2.20194825
  O      3.81997188      5.42534393     -1.53156153
  H     -0.51747018     -0.29299548     -2.07207243
  H      0.92730416      3.28990323     -0.54928235
  O      1.40442467      4.45304732     -5.36919344
  H     -0.08308856      2.68480722     -2.82528943
  H     -0.04689783      3.11242758      0.63171921
  O      3.44925215      3.78946814     -3.69774108
  H     -0.94195346      3.86528107     -3.34005295
  H      4.62128114      0.25662237     -4.22544551
  O     -1.85408292      0.81804545     -1.63173765
  H     -1.04527116      6.43097764     -3.70948852
  H      4.02692020      1.06484488     -3.06708125
  O      0.60088357      3.72001292      0.25674208
  H      0.03860454      5.82392666     -2.78890838
  H      3.98529893      1.07514820     -0.57701128
  O      4.17341072      1.08675000     -4.02769335
  H      4.18090305     -2.00502113     -4.42542240
  H      3.56604503     -0.18558483     -1.37469005
  O      3.56722510      0.78060098     -1.39508231
  H      5.71796264     -2.14452537     -4.52876288
  H      0.73861874      5.31316453     -0.68778233
  O      0.99718422      5.95771688     -1.36155301
  H      4.39947193     -1.93672041     -2.26931250
  H      1.95917467      5.91449780     -1.40833255
          69
 Ord_Energy   -248.307877    
 O    1.33554637      -2.60189104      0.339626521    
 H   0.488909841      -2.13533163      0.209861457    
 H    1.21777213      -3.18029189       1.08816350    
 O    4.91436100       3.75924945      -1.71680415    
 H    5.03087807       2.79669309      -1.60884655    
 H    5.26541805       4.16858816     -0.930844605    
 O   -1.22108364       1.26730072      -1.25538075    
 H   -1.41274309      0.796278238      -2.07470179    
 H   -1.13056779       2.19671559      -1.51824701    
 O    5.42514467       3.92973447      -4.48064280    
 H    5.33939695       3.93114972      -3.51514125    
 H    5.91675186       4.71702528      -4.70324802    
 O    5.18733406       1.09163940      -1.52096701    
 H    4.68547440      0.493393153     -0.954659700    
 H    5.36175251      0.610536456      -2.33945179    
 O   0.691105187       2.30962181      -6.62643862    
 H   0.898006439       1.43954086      -6.98607111    
 H    1.49475372       2.61698270      -6.18395853    
 O    1.32382143     -0.489436686      -3.26797962    
 H    1.42627358      -1.39708126      -2.95541477    
 H    1.46845078       9.65283290E-02  -2.51274967    
 O    2.99627686       2.77869129      -5.13043594    
 H    3.86421466       3.19598842      -5.04226542    
 H    3.13650680       1.82231438      -5.15811014    
 O    1.56731880       1.22532260      -1.11816216    
 H   0.606695652       1.24194992      -1.01328087    
 H    1.82108235       2.04228020      -1.56855810    
 O   -1.44005084       2.61848497      -5.01388502    
 H  -0.689230204       2.55121326      -5.63064098    
 H   -2.15379739       3.03390288      -5.49111938    
 O    2.21139193       3.51172090      -2.55670524    
 H    3.06887746       3.74980688      -2.18471313    
 H    2.38173199       3.26809502      -3.47786856    
 O  -0.645927429       3.67565155      -2.45179558    
 H   0.313023776       3.78729033      -2.47015047    
 H  -0.903942764       3.43458724      -3.35029078    
 O   -1.99524713      -2.36815381      -2.60969329    
 H   -1.95684779      -1.53961408      -3.10493541    
 H   -1.48773336      -2.99868035      -3.13290048    
 O  -0.473315179      -1.72517264      -6.02232647    
 H  -0.339586139      -2.52873135      -5.50384283    
 H  -0.935747623      -1.11423504      -5.43693066    
 O    1.41357350     -0.370713532      -7.41509342    
 H   0.732420266     -0.896273613      -6.95807505    
 H    1.44283462     -0.681817710      -8.31576061    
 O   -1.30933690       5.23707718E-02  -3.92342925    
 H   -1.40648329      0.930522919      -4.31468010    
 H  -0.366057932     -0.100418910      -3.74864745    
 O    1.73548794      -3.14165640      -2.39843273    
 H    1.52822185      -3.07704878      -1.45741355    
 H    2.69413495      -3.01389050      -2.47676969    
 O    4.32596731      -2.37562370      -2.28055882    
 H    4.83933163      -1.83006632      -2.88614845    
 H    4.08885193      -1.79578483      -1.54288697    
 O    5.52518845     -0.383909196      -3.94010782    
 H    6.26978731     -0.305871308      -4.53114319    
 H    4.72562790     -0.261416435      -4.47850752    
 O    3.35207987     -0.661906958     -0.223827586    
 H    2.77660489      -1.35299551      0.125768602    
 H    2.75118971       6.21338598E-02 -0.459988654    
 O  -0.146165267      -3.90636539      -4.22263908    
 H  -0.149266124      -4.85206366      -4.34775639    
 H   0.565189779      -3.71086597      -3.58896947    
 O    3.14907265      -9.78904031E-03  -5.24980831    
 H    2.51227641     -0.196118265      -4.54212618    
 H    2.69076443     -0.188252598      -6.07990789    
 O  -0.991225779      -1.38768280     -0.210811079    
 H   -1.40496504      -1.82075846     -0.972632706    
 H   -1.15388775     -0.445078313     -0.323071092    
          69
 Energy    -248.30773482460333     
  O     12.75041689     11.76136725    -10.55883769
  H     12.91681516     12.57319246    -11.06184502
  H     18.20495478     13.20884464    -17.36748725
  O     11.79442950     11.50358612    -15.07521900
  H     13.10138172     11.02588236    -11.07987050
  H     13.92749062     14.63015075    -11.46151496
  O     13.65221124      9.59686796    -12.15450577
  H     11.70608284     12.38804610    -14.69130695
  H     14.08276758     13.48460460    -12.49357400
  O     18.86794546     12.98812278    -12.09998419
  H     11.35831307     10.88886569    -14.46834055
  H     12.75890667     14.65715060    -15.26749836
  O     10.03624945     11.45853492    -10.81486194
  H     14.45062190      9.23819401    -11.74756173
  H     13.29308704     14.05350214    -16.57126892
  O     10.93028619      9.84436439    -13.04723100
  H     13.89076045      9.78473477    -13.07219586
  H     14.99687073     11.78637084    -13.87086017
  O     14.30657457     10.36359493    -14.80711651
  H     19.65744528     12.93049978    -11.56720990
  H     15.64470696     13.20422675    -13.88496193
  O     15.24190120     15.42508780    -10.43315418
  H     18.18061234     12.47704063    -11.64029597
  H     18.69421534     12.12354866    -13.81236502
  O     16.05718764     14.61106270    -14.93165391
  H      9.65091594     11.11259102    -10.01360849
  H     18.02773433     10.85547307    -14.40735332
  O     15.32118047     11.25619262    -17.12861988
  H     10.98258421     11.58910155    -10.63313860
  H     12.32818392     12.04835278    -16.72878004
  O     11.52346869     14.04287647    -13.97011420
  H     11.77317902      9.55296828    -12.67678257
  H     12.12369335     12.38269649    -18.22156065
  O     17.51348325     13.02884319    -16.73665923
  H     10.48703923     10.31743670    -12.33364500
  H     16.66035600      8.48530065    -10.51755425
  O     13.42853508     14.00766166    -12.00324966
  H     13.40521194     10.70758626    -14.88770828
  H     16.47007486      9.91088908    -11.09269906
  O     13.48823059     14.71566111    -15.89830241
  H     14.74076780     10.56733403    -15.65211427
  H     16.80304123      9.12330505    -13.06766784
  O     15.29761394     12.50894787    -13.30889718
  H     15.27348134     16.29898807    -10.05365327
  H     16.07748475      9.54105135    -14.35171025
  O     18.49318508     11.67196036    -14.63886133
  H     15.93738753     15.39101305    -11.11501104
  H     16.21908385     11.93712957    -11.89120307
  O     12.75319631     12.44514913    -17.50722987
  H     15.16641160     14.74977666    -15.28938733
  H     16.21572831     12.04879841    -10.33492794
  O     16.23978440      8.97387771    -11.21999355
  H     16.58609979     14.18953672    -15.62056393
  H      8.25460985     13.35203353    -12.78436428
  O     16.95425822      9.42817119    -13.96978090
  H     16.04820931     11.88974491    -17.09242844
  H      9.41896324     12.79255961    -11.95314976
  O     16.68997396     11.66560509    -11.08717899
  H     14.53566457     11.73411186    -17.42367111
  H     16.77266634     15.18739991    -13.30863971
  O      9.18513681     13.46817126    -12.60635758
  H     10.65005730     13.95652621    -13.56486367
  H     17.78426109     14.56829785    -12.32104248
  O     17.09981310     15.24285727    -12.40016290
  H     12.15710856     14.12580527    -13.24204370
  H     15.11511394     13.74245768     -9.49494961
  O     15.09882760     12.82331300     -9.19679775
  H     17.91982673     12.51963784    -16.00996411
  H     14.24293594     12.46175473     -9.45819077
          69
 Energy    -248.30767734135082     
  O     10.32151555      6.08763848    -13.96659016
  H     10.64388800      6.93435240    -13.63214943
  H     16.06969813      5.99643382     -9.24175229
  O     13.61587005      3.45582304     -9.44588271
  H     10.96123558      5.81870277    -14.63611670
  H     16.29935232      8.02544184    -13.27227340
  O     16.57971295      9.37354378    -12.09747824
  H     14.36950129      4.04840156     -9.31154950
  H     16.86610042      6.61236346    -13.57488463
  O     16.58406826      7.65250231     -8.85065743
  H     13.87547178      2.88118591    -10.17262727
  H     14.07761970      5.11707885    -12.49667583
  O     11.62067521     11.07164833    -13.20292434
  H     15.88226921      9.29241818    -11.42941702
  H     15.07557352      6.31024625    -12.63171809
  O     11.40048921      5.04435210     -9.47188626
  H     16.42582116     10.19846878    -12.57470578
  H     10.94830102      4.42776936    -11.23993501
  O     13.69192732      7.77522009    -14.93276126
  H     15.91249267      8.27996614     -9.15100578
  H     10.56480792      4.78041066    -12.70441996
  O     14.90865809      2.07688197    -11.72933448
  H     17.34195697      7.76500898     -9.43711374
  H     15.13295538     11.29655738    -14.06925144
  O     13.77731649     11.55825296    -11.37751763
  H     11.55377430     10.10599833    -13.09973794
  H     16.18833552     12.41534241    -13.89639650
  O     18.09448756      5.65808828    -12.66118518
  H     10.73112522     11.40044398    -13.30060020
  H     12.13707790      6.63362924    -10.14303532
  O     17.29719547      3.37095623    -10.99627391
  H     12.16271441      4.44082180     -9.41571030
  H     13.30584742      6.77167787    -11.14241940
  O     15.79240309      5.17495955     -9.66919903
  H     10.85984960      4.87512386     -8.70485897
  H     17.95199783      8.50027848    -11.37341726
  O     16.13812547      7.21741793    -13.78024930
  H     13.32859071      6.94947530    -15.27585296
  H     19.40000358      8.39010958    -10.84709122
  O     14.50951568      5.83248161    -12.01305093
  H     14.59059637      7.57656272    -14.63236140
  H     14.26403057     10.09131579    -10.44264604
  O     10.92578001      4.08148793    -12.13835948
  H     15.77360678      2.47549358    -11.54695042
  H     13.87888412      8.59971220    -10.22286077
  O     15.79944147     11.66282038    -13.45970988
  H     15.04335761      1.13185505    -11.75212377
  H     13.77413885      9.65846464    -15.11482008
  O     12.65088891      7.28140391    -10.63902831
  H     12.98006163     11.46750975    -11.91432777
  H     13.01616232     10.85196000    -14.49162516
  O     18.58001318      7.90792804    -10.92509748
  H     14.48395924     11.75648167    -12.00317295
  H     12.44779527      8.15645112    -13.62617513
  O     14.60695118      9.23109231    -10.15717336
  H     17.86743741      4.85472046    -12.18193687
  H     11.98155102      8.02766706    -12.13953811
  O     13.81874833     10.61274208    -14.97278624
  H     18.34436578      6.31443706    -11.99715030
  H     12.90904051      4.65205946    -14.84698629
  O     11.73107195      8.36687903    -13.01007882
  H     18.02929592      3.02540685    -10.49095091
  H     12.57842144      4.71546824    -16.35444793
  O     12.61732647      5.24367442    -15.56082726
  H     16.83888218      4.01286385    -10.42362604
  H     13.83706023      3.05993677    -12.92032061
  O     13.29742808      3.72452027    -13.36228959
  H     15.34671452      5.42541809    -10.49376757
  H     12.43574140      3.75878378    -12.91018729
          69
 Energy    -248.30755116072572     
  O     17.29419403      9.68303018    -10.94668617
  H     16.35218401      9.66642324    -11.18522855
  H     12.55943104      9.73669709     -7.06949664
  O     16.42465384      3.29615340    -10.51772206
  H     17.76087565     10.03951752    -11.69897850
  H     17.96569329      6.52637676     -4.81493585
  O     13.97912396      5.57803871    -12.21605421
  H     16.62358987      3.92251203    -11.22725137
  H     17.01160525      5.87345748     -5.84428720
  O     13.19135401      7.52779948    -10.46042898
  H     15.46393387      3.26776007    -10.44974764
  H     14.35188357     10.46731146    -10.85453068
  O     17.05571191      7.07061578    -14.50535375
  H     13.71512900      4.82752940    -11.66917046
  H     14.05263279      8.97834658    -11.10429936
  O     13.56479456      3.52616288    -10.28296706
  H     14.94500384      5.52400017    -12.28088613
  H     16.97693271      5.88272663    -13.11966866
  O     18.94545443      6.07008539     -8.10245531
  H     13.85278442      7.40006828     -9.76246850
  H     17.07140941      5.96857725    -11.57231583
  O     13.81616882      4.81836037     -7.87983433
  H     13.36539412      6.84420835    -11.12143464
  H     14.53140534      8.68947741    -13.09019287
  O     17.50849344      7.00519573    -10.20797153
  H     17.11638511      6.99074477    -15.45401314
  H     14.18860940      7.20644526    -13.36072038
  O     15.19842067      7.02577345     -8.71301160
  H     16.18872507      7.47251651    -14.32686942
  H     13.15175360      8.93498904     -4.70377974
  O     15.75667318      8.63311297     -6.49839669
  H     13.59810216      3.94215933     -9.40439881
  H     14.12299187      8.67963639     -5.87978449
  O     12.28210374     10.14456412     -7.89900013
  H     12.97147277      2.78268759    -10.21112829
  H     11.65766121      7.81395466     -9.67058216
  O     17.54066264      6.67071572     -5.65636699
  H     18.71045226      5.13513575     -8.17871078
  H     10.11449802      7.93523358     -9.68466402
  O     14.56547734      9.72858419    -11.43901090
  H     18.58128234      6.36253892     -7.25882354
  H     15.66717903     10.96535773     -8.60797411
  O     16.75718293      5.41465883    -12.30351835
  H     14.39031523      5.53486593     -8.19326583
  H     16.93224038     10.27970863     -9.13517108
  O     14.56684941      7.99825128    -13.76209867
  H     13.05879008      5.25972821     -7.46889671
  H     15.30173563      4.44348243     -6.74621095
  O     13.18353926      8.70288855     -5.62837772
  H     17.60193941      7.93924788    -10.42994094
  H     16.75842356      3.98694333     -6.97556047
  O     10.87862300      8.00509864     -9.11883949
  H     18.13695015      6.76590667     -9.51038182
  H     11.40204256      6.93046487     -7.60480463
  O     16.47939670     10.52836082     -8.32122438
  H     15.36678625      7.60143202     -7.95793775
  H     12.28395637      7.17915718     -6.37240785
  O     16.17807894      4.43087708     -6.34273974
  H     16.01101083      6.96663735     -9.23270325
  H     13.75833250     12.48843565     -9.36349073
  O     11.86174571      6.47954391     -6.88629589
  H     16.12368578      9.33627565     -7.05651885
  H     13.38098958     11.08205293     -8.84269060
  O     14.02841520     11.57414805     -9.37955015
  H     16.46583254      8.06387397     -6.17288026
  H     17.41786808      3.35262663     -9.10427238
  O     17.95645413      3.40049829     -8.29439275
  H     11.69578404      9.50468346     -8.32086176
  H     18.47705059      2.60199009     -8.26807628
          69
 Energy    -248.30735920089359     
  O     12.50559906     12.51011321    -12.39899526
  H     12.63633430     12.35634495    -11.45633688
  H     18.17385324     13.26563127    -16.95930622
  O     20.21069652      6.93870881    -12.89634405
  H     12.44378513     11.63494303    -12.80343962
  H     12.40967498      9.62804453    -12.75213120
  O     18.45578886     10.97867651    -12.43137641
  H     20.88553197      6.31714460    -12.63528018
  H     13.34006639      9.34663693    -13.93201404
  O     12.53168105      9.28145065    -10.99153057
  H     20.59842413      7.49801661    -13.59123540
  H     15.43345793     10.14853944    -13.29494363
  O     16.08690839      7.00871943    -12.16736969
  H     17.52066393     10.94310676    -12.69430867
  H     15.37478472     11.70653022    -13.38361678
  O     14.47881171      7.48627751     -9.89582820
  H     18.54683091     11.80253726    -11.94060033
  H     12.91087324     10.83776167    -15.17509563
  O     17.79318428      6.38067898    -14.37845190
  H     12.67914751     10.07948438    -10.46974405
  H     12.48606228     11.47079143    -16.51430633
  O     14.48396534     13.16514149    -14.12775972
  H     13.13814911      8.61964119    -10.63842371
  H     17.26133290      8.91522225     -9.89124928
  O     17.20183634      8.70065184    -15.76571485
  H     16.86469421      7.51095493    -11.88257378
  H     16.34899307     10.11889242     -9.56016660
  O     18.37758723      8.42909450    -11.34488523
  H     15.47549703      7.01024247    -11.42123516
  H     20.53274912      9.28908735    -15.00864763
  O     15.95629976     11.03103805    -16.77962833
  H     14.29812633      6.91942072     -9.15037895
  H     21.47789014      8.35900416    -15.78568819
  O     17.96973977     12.74392191    -16.18732840
  H     15.17884680      8.10404351     -9.61694397
  H     16.14698538     13.89442622    -13.87428021
  O     12.57793218      9.88600167    -13.67139158
  H     17.13335440      6.36727764    -13.67335436
  H     17.50222285     13.64301373    -14.54457258
  O     15.77888235     10.96517123    -12.91632736
  H     18.64342619      6.45164639    -13.92875880
  H     18.46631760     14.23618690    -10.90543448
  O     13.23511617     11.34714896    -15.93590533
  H     13.78656461     13.12291646    -13.45382992
  H     17.65781739     13.74018063    -12.12709371
  O     16.51518661      9.19316350     -9.34371753
  H     14.11896753     12.72499592    -14.90357498
  H     14.13472498     11.84053671     -9.82303619
  O     21.13085618      8.53042076    -14.91349007
  H     17.43596664      7.82637576    -15.41945321
  H     12.96630083     12.14876241     -8.85910665
  O     17.09915769     14.01986317    -13.75409238
  H     17.92045091      9.29351302    -15.51163695
  H     19.07427901     10.70336324    -14.07990095
  O     17.96929647     13.49337596    -11.23632905
  H     19.06106922      7.89532038    -11.76827133
  H     18.94699524     11.32408888    -15.49005466
  O     13.17214027     11.77327125     -9.71128611
  H     18.47568980      9.32621590    -11.69444509
  H     15.72048766     11.42674932    -11.19127810
  O     19.25474548     10.54097093    -15.01780744
  H     16.28408093     10.14361007    -16.58315365
  H     16.54922507     12.46245039    -10.41796744
  O     15.85825471     11.80002250    -10.30570023
  H     15.01939364     11.04331553    -16.55393325
  H     15.25430316      7.98263384    -13.43338340
  O     14.96354041      8.60249860    -14.11715981
  H     17.20232270     12.19028531    -16.42092226
  H     15.67009854      8.63649118    -14.77531633
          69
 Energy    -248.30735735527873     
  O      8.67624966      3.64463447      0.65188158
  H      9.56808277      3.90837571      0.86418095
  H      7.02448678     -1.94736874     -2.81511512
  O      3.40907220      1.25976952      3.42449212
  H      8.56796804      2.73496834      0.97656424
  H      3.85371521     -1.86016919     -5.16050843
  O      5.92505916     -2.73941012      1.74960972
  H      4.10875382      1.89450106      3.67228410
  H      4.81765756     -1.72321246     -3.95677608
  O      4.63779983      1.29983895     -3.66777120
  H      2.70133474      1.36951400      4.05366774
  H      3.91698466      4.68393826     -0.83490808
  O      8.53657291     -0.97101890     -2.12922026
  H      6.10845242     -3.63729817      2.01416912
  H      4.20858845      3.63238160      0.25458926
  O      3.63802356      1.99074403      0.74706764
  H      6.74907235     -2.38796662      1.36591185
  H      2.29022014      5.31902183     -2.80836541
  O      7.11017594      1.35651070     -2.45214132
  H      4.43496372      0.44172363     -4.05965737
  H      3.60710906      4.52430439     -2.98014217
  O      2.50703382     -1.02261268     -1.92186655
  H      3.95841228      1.46082839     -2.99719907
  H      5.56408732     -0.15528933     -0.17468139
  O      5.10745387      4.08875529     -3.78601598
  H      8.10103663     -0.11233046     -2.26488911
  H      6.32023018      1.01787407     -0.83988871
  O      5.46807796      2.88367201      4.00438961
  H      9.38930702     -0.91327973     -2.55351825
  H      5.49130526     -1.43343929      3.04275360
  O      8.14039483      1.10727549      1.57387295
  H      4.47507110      1.55379480      0.52329490
  H      4.64956051     -0.21614190      3.54108879
  O      6.12946580     -2.27182864     -2.95854716
  H      3.42889403      1.74314523      1.65452454
  H      7.63069235      3.94993262     -0.87388290
  O      4.03431160     -1.33399373     -4.38670437
  H      7.17153560      2.28994402     -2.20593473
  H      6.10968279      4.11696191     -1.07007620
  O      4.55049149      4.44410329     -0.14927036
  H      6.28702549      1.25275443     -2.95234224
  H      8.35231684     -0.74573041      1.04417469
  O      2.82515547      4.63772920     -2.41044018
  H      2.87162091     -1.19052254     -2.79998998
  H      8.31332164     -1.51058096     -0.28380270
  O      5.91608636      0.73189054     -0.01151986
  H      2.34960250     -0.07070431     -1.88439800
  H      2.48274730      2.76974034     -2.04965077
  O      5.43224498     -0.75085875      3.72147424
  H      4.99731425      3.14043517     -3.94221496
  H      2.87551538      1.84887799     -0.87638241
  O      6.93717959      3.95131246     -1.54563741
  H      5.85910173      4.17393083     -3.18716432
  H      4.87513957     -2.19970841      0.22370088
  O      8.18703100     -1.61858029      0.66665997
  H      5.75625521      3.55518044      3.36891971
  H      3.89303501     -1.56511428     -0.86792495
  O      2.60494780      1.84431278     -1.80687811
  H      6.23625676      2.33199904      4.18874686
  H      5.69495943      4.76429310      1.33923740
  O      4.81273125     -1.70176905     -0.59779406
  H      7.97204634      1.05930595      2.52448274
  H      7.16169573      4.40122446      1.63153466
  O      6.33334249      4.65171318      2.05495352
  H      7.29441261      0.97370299      1.11756054
  H      6.77927730      0.23569816      4.13804057
  O      7.50204009      0.87582264      4.27802708
  H      5.68554475     -2.17143867     -2.10256034
  H      7.95240536      0.61516892      5.07643516
          69
 Energy    -248.30730296579242     
  O     13.93839115      2.83254771     -9.67715277
  H     14.38573006      1.98919826     -9.53900780
  H     14.33748744      3.70669239    -15.06939928
  O     12.48691113      2.22740927    -11.97126245
  H     14.60107388      3.45982365    -10.00482691
  H     12.98620479      8.08907677     -9.96650188
  O     16.73842873      3.20927641    -12.92850810
  H     12.98787215      2.41588620    -11.16372338
  H     13.91815892      8.78998839    -10.99605191
  O     17.13585231      5.30046979    -14.77074410
  H     11.91919695      2.99200763    -12.11762870
  H     13.54195202      6.88593525    -11.69809605
  O     10.78598221      7.68822806    -12.44778940
  H     15.89858702      2.87857444    -13.28096396
  H     13.90709482      6.42034437    -13.12318745
  O     13.37211601     -0.44727870    -11.66784033
  H     17.02690460      3.90152533    -13.53606658
  H     11.52942704      4.74896929    -10.28466120
  O     15.14593382      0.29179982     -9.73334897
  H     17.86390187      5.44633300    -15.36968034
  H     12.57444231      4.06032835     -9.37892648
  O     16.44897642      7.69463364    -13.68567188
  H     16.96713353      6.15168142    -14.32915478
  H     15.90510689     -0.16213017    -13.22592489
  O     15.81160386      8.91481043    -11.13328659
  H     10.77906359      6.74391563    -12.25489758
  H     15.60175992     -1.11138080    -14.41292387
  O     11.47131430      4.85833003    -15.04066891
  H     11.47558539      8.07406039    -11.89090225
  H     15.00782125      5.16617088    -11.33856237
  O     13.97257349      7.20240406    -14.81876684
  H     12.85948045      0.35770707    -11.82089831
  H     16.16791316      4.14979729    -11.47235876
  O     14.43609124      4.56491118    -15.50689881
  H     13.89087199     -0.58738421    -12.46998309
  H     14.59861069      1.30466798    -14.14393669
  O     13.02825046      8.43530932    -10.86928834
  H     15.25423878     -0.36905850     -9.05414285
  H     13.66766698      2.25036837    -13.33913768
  O     13.78573687      6.10852384    -12.21806588
  H     14.49131756     -0.05781761    -10.36460933
  H     16.45852407      0.53636234    -11.15036013
  O     11.95416731      4.80183517     -9.42243817
  H     15.59909748      7.72730918    -14.14951979
  H     17.05095736      1.48487841    -12.22591321
  O     15.21742614     -0.43738287    -13.85960377
  H     16.29227633      8.08687158    -12.82009215
  H     12.25140858      5.18861960    -12.20462806
  O     15.64911895      4.64703393    -10.82805127
  H     15.90478122      8.22860863    -10.44781789
  H     11.21875859      4.72759486    -13.24373169
  O     14.34927555      2.22959786    -14.02541816
  H     16.35300652      9.65106855    -10.85960124
  H     12.69702485      7.24215648     -7.56069034
  O     16.92716912      0.55467372    -11.99362029
  H     11.31191885      5.79383581    -15.22297471
  H     12.63149359      6.24955976     -8.74426495
  O     11.36485256      4.80047531    -12.28813712
  H     12.36469397      4.67832662    -15.35088416
  H     14.93778452      6.94498665     -8.84467118
  O     13.05531352      7.06683494     -8.42673940
  H     13.06985750      7.49402243    -14.99361875
  H     15.90005025      6.09576726     -9.70440888
  O     15.80780487      6.95115658     -9.26194425
  H     14.06765437      6.31550197    -15.19651419
  H     11.01748388      7.79098075    -14.18053761
  O     11.23531078      7.71829738    -15.12695934
  H     15.37066230      4.78777722    -15.40389493
  H     10.65572591      8.31514144    -15.59187025
          69
 Energy    -248.30720775153787     
  O     12.24654098     11.30267398    -15.87443087
  H     12.28215359     12.03829949    -15.25243733
  H     16.61334352     11.52383739    -16.12045078
  O     15.58472472      8.07835082    -13.33322632
  H     11.65847795     10.62063954    -15.51012979
  H     15.25420993     10.75893492    -14.77682990
  O     15.47129992     13.32250783    -13.24146273
  H     15.16264465      8.77624741    -13.86119746
  H     13.76099038     10.47132241    -15.12500645
  O     13.79256697      8.04955406    -17.39834646
  H     16.09408940      8.53571811    -12.65483514
  H     11.23730859      8.38880811    -15.14067548
  O     12.16766654      8.69523023     -9.44859107
  H     15.93668918     12.90410760    -13.97973713
  H     10.79928015      9.10165574    -13.85474544
  O     13.22164827      6.76566508    -12.94486531
  H     14.54632456     13.38912970    -13.49958680
  H     15.22443625      7.57820339     -9.97632283
  O     12.97361796     10.88264395    -12.32934983
  H     14.74796147      7.95841106    -17.50123097
  H     15.24991760      9.10591907     -9.79180412
  O     17.61841933      7.84056813    -15.25388165
  H     13.57513514      8.91342986    -17.76729809
  H     12.81761361      7.23200428    -16.22743222
  O     13.72256529      6.38844935    -10.24116057
  H     12.81059761      9.40812562     -9.35375654
  H     11.77079655      6.10990527    -16.05323497
  O     16.60352116      8.05332403    -17.74163767
  H     12.68522171      7.88625514     -9.55221381
  H     16.02722453     12.69046161    -11.71466960
  O     18.72338883     10.12779352    -13.95560975
  H     14.09705430      7.17087652    -13.05066980
  H     16.91075682     12.95988171    -10.47680001
  O     16.71743292     11.73808806    -15.17991639
  H     12.86991604      6.65073952    -13.83620808
  H     16.99797993     10.61490080    -11.43391741
  O     14.48756964     10.21716583    -14.54558521
  H     12.32911793     10.16567985    -12.25759768
  H     16.95108682      9.14308082    -10.96226333
  O     10.85816185      9.21342238    -14.81209645
  H     13.59949253     10.63103190    -13.02404376
  H     13.75846137     10.75023658    -10.71178893
  O     15.82035800      8.32819925     -9.87687544
  H     16.90922584      7.71667627    -14.60908609
  H     14.97352916     11.30596102     -9.98158651
  O     12.22159835      6.80776720    -15.58421590
  H     18.13564203      8.58006191    -14.91357477
  H     16.39700048      9.93852781    -17.78270583
  O     16.37857789     12.29069802    -10.89947876
  H     13.51143769      6.40370919    -11.18842330
  H     15.24491817     10.93568967    -17.97298026
  O     17.28560595      9.72175297    -11.66506554
  H     13.65140500      5.47889379     -9.96137897
  H     11.94121395      7.99992908    -12.38494204
  O     14.24782522     10.67996150     -9.87815208
  H     16.99979404      7.93906491    -16.85961349
  H     11.41262377      8.70340626    -11.11448782
  O     16.17156043     10.87487504    -17.71146975
  H     17.12276332      7.52965847    -18.34582402
  H     11.99276230     13.81407696    -13.36991922
  O     11.32749797      8.68266020    -12.07891524
  H     18.27748517      9.94439982    -13.11027800
  H     12.62978301     12.42434426    -13.13366354
  O     12.59205854     13.17652209    -13.75057692
  H     19.63648700     10.31172904    -13.74974130
  H     12.90447411     11.02564041    -17.47025559
  O     13.36026525     10.74145732    -18.28136184
  H     17.47186555     11.24168142    -14.84073890
  H     12.85632460     11.08545335    -19.01432202
          69
 Energy    -248.30712529508082     
  O     17.39681749      7.88362051    -16.14800580
  H     16.59631427      7.64331845    -15.65225559
  H     17.49197516      9.66576072    -16.83617279
  O     14.64069552     10.56781427    -11.34325903
  H     17.66816765      7.09954998    -16.62023410
  H     14.54729066     10.65867763    -16.92238615
  O     18.69654843     14.81829762    -14.86651053
  H     15.07168937     11.42839369    -11.25486350
  H     14.15094030     10.84143079    -18.40785908
  O     15.23224873      7.47374054    -14.51150463
  H     13.95269954     10.67304162    -12.01428247
  H     18.52435127     14.17948901    -12.98240043
  O     13.12011613      8.60048545    -10.04110549
  H     19.41305334     15.41470345    -15.07480134
  H     18.74425531     12.73885008    -12.54577954
  O     14.68632562      6.49364631    -10.70144201
  H     18.85103594     14.01480222    -15.38536730
  H     13.44348257     13.43536583    -14.76732073
  O     16.20054751     11.75165197    -14.10761890
  H     14.43475874      7.01597910    -14.21084506
  H     13.25901927     14.10801828    -13.40071211
  O     12.64683333     10.78921073    -13.35042920
  H     15.64924895      7.81189879    -13.70431727
  H     18.30267169      8.30792709    -14.47885198
  O     16.24541557      8.38774407    -12.10261982
  H     12.39411743      8.58510048    -10.67746978
  H     17.88188910      8.49963278    -13.00162267
  O     18.95349340     11.31088592    -13.70787268
  H     13.66742688      9.35703539    -10.29538384
  H     13.59948733      6.32812614    -12.30775143
  O     14.44965035      9.98860958    -15.29100558
  H     14.82003407      5.87567062     -9.98824598
  H     12.43835735      7.14584762    -12.89708015
  O     17.52231842     10.57251894    -17.16470598
  H     14.11606587      7.20490020    -10.35634044
  H     14.21536390     16.16781990    -12.10417935
  O     14.77569295     11.12558841    -17.74603722
  H     15.96186120     12.18411918    -13.27726409
  H     15.00356464     15.51333769    -13.26478893
  O     18.45551814     13.60210307    -12.21445050
  H     17.14137516     11.54889118    -14.04373297
  H     15.31847781     13.83892210    -11.81015693
  O     12.88527029     13.43303567    -13.97919320
  H     12.59373337     11.74662039    -13.48779335
  H     16.76723820     13.27775424    -11.69889949
  O     18.61532700      8.61782983    -13.62159398
  H     13.16673275     10.44375707    -14.08914299
  H     15.46077631     12.86101806    -15.34834247
  O     13.10121302      6.48115602    -13.12098979
  H     15.86268486      7.67665487    -11.57231638
  H     14.83055976     12.78495222    -16.75231593
  O     14.43730889     15.32686402    -12.49399405
  H     15.78170305      9.19853015    -11.85101998
  H     10.40010955      8.70835877    -12.35470299
  O     15.82950337     13.03912017    -11.63636449
  H     19.25999149     11.57588807    -14.58181318
  H     11.72572578      9.43120965    -12.67969802
  O     14.93146207     13.36222632    -15.98892552
  H     18.95557015     10.34318777    -13.66086901
  H     15.55471606     14.96419785    -15.31551805
  O     11.34812424      8.62397218    -12.29075390
  H     14.65927563      9.06931129    -15.08307791
  H     16.90855126     15.42495698    -14.75688707
  O     15.96274520     15.60963497    -14.72094193
  H     15.10886070     10.54785796    -14.84841934
  H     18.62197066     11.80256581    -16.63527869
  O     19.28411229     12.43405549    -16.30079818
  H     16.63342648     10.77913762    -17.47646737
  H     20.04174924     12.35249309    -16.87502750
          69
 Energy    -248.30699661941321     
  O      2.02424769     -0.58529968     -2.54729762
  H      1.98522633     -1.54377983     -2.43771995
  H     -2.94688583     -0.11761954      5.16471841
  O     -0.12104428      0.15143256     -0.84460599
  H      1.22045346     -0.24666606     -2.13070589
  H      0.66252824      1.73789733      2.02280681
  O      1.92155556     -3.31937403     -1.66660734
  H     -0.36333344     -0.77843848     -0.72531477
  H     -0.05495007      2.13986316      3.36265593
  O      3.61659226     -2.36898796      0.23403432
  H      0.49964110      0.37015835     -0.13744197
  H     -2.25967982      2.15789106     -2.12676414
  O     -4.05616895      2.43608176      3.27983082
  H      2.55485560     -3.06236179     -0.97266934
  H     -1.46436893      1.27758399     -1.13552953
  O     -4.32852720     -3.93439342      2.11358393
  H      2.24252767     -4.13276458     -2.04653042
  H     -1.25174962      0.63961743      2.27232896
  O     -0.21025317      2.10862842      5.15273741
  H      3.87944531     -1.49113609     -0.06963885
  H     -2.41714946     -0.12355300      1.56021629
  O      3.90225673      0.30012439     -0.79117717
  H      3.22709937     -2.24010713      1.10815443
  H      0.26467726     -2.94420170     -0.89399608
  O     -5.84582234      0.67310494      1.90845182
  H     -4.72113823      1.89077052      2.84607160
  H     -0.38956340     -2.68934467      0.49937987
  O     -5.30964925     -1.55256115      3.31834334
  H     -3.51319572      2.81670488      2.57401130
  H      1.36386360     -2.05528695      2.56478780
  O     -2.37242391      3.31214691      1.25875563
  H     -4.78931226     -4.73177275      1.86725791
  H      2.51010385     -1.74366873      3.55475080
  O     -2.91823314     -0.92722562      4.64422427
  H     -3.96147161     -3.55925058      1.29298032
  H     -3.35548995      2.02036382      4.78009676
  O     -0.14674064      2.10468360      2.39935665
  H      0.15651259      2.62872233      5.86382794
  H     -3.51279264      2.08599758      6.31696162
  O     -2.25303024      1.83936634     -1.22788604
  H     -1.14706789      1.98374086      5.36974348
  H      2.00594324     -0.10885348      1.69413095
  O     -1.73288240     -0.19634506      2.23728082
  H      4.60815164      0.79572581     -1.19669204
  H      2.61930122      0.68860792      0.51960563
  O     -0.51517583     -2.58338993     -0.45537186
  H      3.29426188      0.03615737     -1.50520953
  H     -2.90827416     -3.81882174      3.37469743
  O      2.26314079     -1.68992670      2.63512674
  H     -5.72478737     -0.14328628      2.42845047
  H     -2.41210957     -2.77659357      4.39326718
  O     -2.95150367      1.74614142      5.62558310
  H     -6.78439801      0.79503420      1.79751295
  H     -0.75599690     -1.65390319      2.24204971
  O      1.86905991      0.66149221      1.12653976
  H     -5.08991779     -2.39534220      2.90324090
  H     -0.83248612     -3.05449852      2.88439777
  O     -2.16577640     -3.60125145      3.95347173
  H     -4.55929174     -1.33901716      3.88968224
  H     -2.38207016     -2.81237094     -0.35151272
  O     -0.28994096     -2.50306587      2.30382962
  H     -1.52896498      3.03482411      1.64527245
  H     -3.53277002     -1.82992719     -0.06217072
  O     -3.31501911     -2.77141986     -0.10915403
  H     -2.37789468      2.94141645      0.37003636
  H     -4.48970888      0.29508424      0.72219330
  O     -3.71152982     -0.03537092      0.25473666
  H     -2.50404363     -0.67378573      3.80465520
  H     -3.36927651      0.66621494     -0.31246060
          69
 Energy    -248.30683902137457     
  O     -4.79526596      4.87279215      1.84354870
  H     -4.39735760      4.27822321      1.18573945
  H     -5.84963206      3.87440186      3.10160197
  O      0.52917626      2.18753348     -1.52450298
  H     -5.00503760      5.68362929      1.38635579
  H     -5.14173105      1.97298209     -2.80419509
  O     -5.82681047     -0.10841825      1.70068942
  H      1.26925471      2.19945795     -2.12493920
  H     -4.61665265      0.95259291     -1.76878702
  O     -1.25783112     -3.11041217      0.37990079
  H     -0.22983412      1.83114821     -2.02068670
  H     -8.46348672      1.09614902      3.74841704
  O     -0.07429366      1.03845447      1.01765508
  H     -6.51850849      0.26813622      2.25780874
  H     -7.10596316      1.83902197      3.70064560
  O     -3.58236291     -0.03296027      6.18295065
  H     -5.51275522     -0.91196809      2.14225073
  H     -3.83883905      2.75568269     -0.67843872
  O     -5.91672286     -0.91216360      5.13799202
  H     -0.81071900     -2.64155302      1.10789385
  H     -2.63497029      3.54067269     -0.05542411
  O     -2.49229924      4.54041106      3.56208241
  H     -0.66134496     -3.79242673      0.08358246
  H     -5.17291731     -0.35879156      0.03182398
  O     -1.94595299     -0.51556694     -0.39726951
  H     -0.20109987      1.80484927      1.59072486
  H     -3.73399320     -0.50555535     -0.56002182
  O     -4.69904096     -2.28586697      2.99441121
  H      0.26527455      1.38220531      0.18101835
  H     -2.65645763     -0.56536829      4.61595504
  O     -1.67653779      1.09238383     -2.64185624
  H     -4.45682985     -0.34914949      5.89002911
  H     -2.66751239     -0.05156921      3.14985146
  O     -6.18494659      3.29720864      3.79724995
  H     -3.47044897     -0.32174470      7.08419856
  H     -0.42702188      3.62237296     -0.73861455
  O     -4.43581700      1.81415578     -2.18302374
  H     -5.63528146     -1.54044391      4.45848151
  H     -0.66628478      4.09092584      0.70574808
  O     -7.52641081      0.96248147      3.63614685
  H     -6.51744415     -0.29279110      4.70723740
  H     -1.05201370      3.86727288      2.86939325
  O     -3.50532769      3.15661622      0.13192093
  H     -3.23438766      4.80814453      3.00842571
  H      0.48537070      3.79223371      2.96868190
  O     -4.67849465     -0.53040445     -0.78269382
  H     -2.85626614      3.89259966      4.18228548
  H     -3.65143797      1.66476003      5.40506283
  O     -2.40916421     -0.79701743      3.71244914
  H     -1.42663375      0.04238820      0.19643122
  H     -3.64505883      2.05113632      3.90319663
  O     -0.99547604      4.18474960     -0.19782197
  H     -1.67024671     -1.42717308     -0.24064413
  H     -3.16659548     -3.26085168      0.40746485
  O     -0.25804677      3.48761662      2.45421716
  H     -4.55491378     -2.76081836      2.16289053
  H     -4.39044258     -2.49456188     -0.14265312
  O     -3.73954633      2.40954418      4.80051400
  H     -3.84636700     -1.90481669      3.24617904
  H     -0.86637660     -1.34843866      2.89102543
  O     -4.12907004     -3.19738140      0.46152136
  H     -1.73594419      0.40427757     -1.96205047
  H      0.08129120     -0.66643241      1.88954642
  O     -0.14431010     -1.52467051      2.27044618
  H     -2.56390160      1.46321124     -2.68943105
  H     -3.36842755      1.93978035      1.53080445
  O     -3.49896272      1.30924765      2.24897085
  H     -5.40803024      3.05052079      4.31858339
  H     -4.34002152      0.86558483      2.06875374
          69
 Ord_Energy   -248.306717    
 O   -3.74090075      0.614326298      -3.11955643    
 H   -4.38400507      0.516193211      -3.81944585    
 H   -3.91105819       1.47655082      -2.71159601    
 O   0.928554296       3.81939197      -2.29469514    
 H   0.970718205       4.72004175      -2.60675812    
 H    3.41180786E-02   3.68925238      -1.93808424    
 O    3.33457589     -0.243921503      -3.04255438    
 H    2.71136594      0.397711039      -3.42673206    
 H    3.96999335     -0.433428437      -3.72651267    
 O   -1.10724843       4.69615126       1.38216031    
 H   -1.86539817       4.42780018       1.91681600    
 H   -1.28799593       4.39016533      0.484478831    
 O    2.54277492      -3.78607996E-02 -0.446369022    
 H    2.52760243      0.924446940     -0.316081703    
 H    2.93900442     -0.200913683      -1.31427073    
 O    1.70457029     -0.947752655       1.97056997    
 H    2.42350626      -1.37389064       2.43067980    
 H    2.05042648     -0.682524145       1.10052669    
 O   -3.96929193      0.113066770       1.08575082    
 H   -4.01386213     -0.507036626      0.341514230    
 H   -3.77096128     -0.388157606       1.88476110    
 O  -0.908636987      -2.19283342       1.95215547    
 H   -1.08604968      -2.51245499       1.05899024    
 H   -2.22075507E-02  -1.81441212       1.93697047    
 O   -1.44638836       1.17466140      0.446577132    
 H   -2.31431627      0.834330201      0.698852479    
 H  -0.909854949       1.24821508       1.24599254    
 O    1.49985743       1.55157518      -3.98332238    
 H   0.629663825       1.13263643      -4.06027317    
 H    1.35771644       2.35062599      -3.46454787    
 O   -1.51852369       3.42370915      -1.11660588    
 H   -1.46170866       2.61824059     -0.578028977    
 H   -2.40178132       3.42810702      -1.50035119    
 O   0.217433065       1.33072829       2.70319343    
 H   0.708822727       2.15524888       2.59457636    
 H   0.812249005      0.591030777       2.52980685    
 O    1.31774318       3.85667729       2.21243787    
 H    1.73588240       4.51744986       2.75727177    
 H   0.460197002       4.22305536       1.92894828    
 O   -1.36014748      -2.86121917     -0.792537212    
 H  -0.844687223      -2.06599164      -1.01837325    
 H   -1.02211070      -3.57015920      -1.33354414    
 O   -4.71639156       2.72088790      0.668916345    
 H   -4.59686804       1.77436578      0.839035809    
 H   -4.28995943       3.16914797       1.40810752    
 O   -3.29949260       3.75255346       2.91566420    
 H   -2.96051598       2.92768979       3.30711317    
 H   -3.71923995       4.23527098       3.62320638    
 O   -2.25296211       1.47481036       3.95559788    
 H   -2.58638430      0.574142516       3.87212014    
 H   -1.33375430       1.43547428       3.65541935    
 O   -8.85113403E-02 -0.524627626      -1.22933960    
 H   0.847588420     -0.371053278      -1.05407107    
 H  -0.588110089       7.24607930E-02 -0.653597474    
 O   -3.83748794      -1.46035635      -1.12173402    
 H   -3.04093099      -2.00414777      -1.09390068    
 H   -3.73667932     -0.838541269      -1.85283017    
 O   -4.21349478       3.11609793      -1.93016446    
 H   -4.44062710       2.99097776     -0.989217281    
 H   -4.77960682       3.80918956      -2.25884318    
 O  -0.948514342      0.279687703      -3.76964331    
 H   -1.88799334      0.438698411      -3.63619900    
 H  -0.622712195      -4.69124801E-02  -2.91860366    
 O    2.35327792       2.64822125     -0.142041117    
 H    2.06495714       3.11992717      0.647344053    
 H    1.93753731       3.08934307     -0.893314421    
 O   -3.00617552      -1.21553397       3.36210060    
 H   -3.35871553      -1.91614664       3.90383196    
 H   -2.23480153      -1.58400619       2.89461303    
          69
 Energy    -248.30667939810672     
  O     10.68306378      9.52779417    -11.88930084
  H     11.40706355     10.15020348    -12.04412553
  H     17.86864940      9.25394425    -16.45570069
  O     14.19982391      7.68554631    -15.44812670
  H     10.36560675      9.26902997    -12.76219157
  H     15.38650301     12.32788452    -13.96198950
  O     17.49947219      9.43929242     -9.99706587
  H     13.97774872      7.01557120    -14.78385258
  H     14.31633770     12.47398027    -15.04299675
  O     16.89259116     10.88449385    -16.84198903
  H     13.53859744      8.38520504    -15.38553128
  H     16.28769057      9.67477658    -13.83819987
  O     12.48930529      9.84505363    -15.07681290
  H     17.30599075      8.48533699    -10.01076262
  H     15.37950898      8.48255729    -14.31485743
  O     14.01828733      6.99398805    -10.92034116
  H     17.82529201      9.64030937     -9.12340760
  H     11.03192044      8.08019651    -10.97633079
  O     13.87180990      5.79488787    -13.44556820
  H     17.21278393     11.39594525    -17.58230589
  H     10.64263329      7.09922562     -9.84486433
  O     14.93577888      9.60628423    -11.20141104
  H     15.92870673     10.98895939    -16.83322912
  H     18.53081015      7.08730964    -13.19848669
  O     16.37609770      4.66828994    -14.10573625
  H     12.68474826     10.21163307    -14.20181952
  H     17.04231600      7.47974520    -13.15049071
  O     16.95064606     11.36521243    -14.04966487
  H     11.63261830      9.40424884    -15.00820747
  H     11.05589564      6.41571354    -12.33115519
  O     16.49856090      6.42960944    -16.42915499
  H     13.08111738      6.98861299    -10.68861057
  H     12.00660785      5.92341043    -13.43425347
  O     18.34912869      8.47322712    -16.16411574
  H     14.27849429      7.92590224    -10.95977413
  H     18.45870450     10.01599998    -11.57999913
  O     14.49580874     12.67553129    -14.11950505
  H     13.99619260      6.18565903    -12.56817881
  H     19.26421044      9.58458558    -12.83564581
  O     15.93242052      8.80963648    -13.59507121
  H     14.65840053      5.27398261    -13.64734973
  H     19.34704023      8.28598975    -14.77399716
  O     11.22885628      7.20811789    -10.58872617
  H     15.25768761      9.31579079    -12.07145809
  H     20.75788705      7.99810446    -14.20468460
  O     17.66287089      6.76950054    -12.92227726
  H     15.72687390      9.74147974    -10.66814417
  H     15.84920215      6.69973003    -10.35094831
  O     11.09993589      6.21674651    -13.27489974
  H     16.90322023      5.35336114    -13.65916456
  H     17.17459771      6.66835026    -11.13928679
  O     18.85476115     10.34089322    -12.39775283
  H     16.79974758      3.83285111    -13.92629372
  H     13.56704836     11.72006210    -17.43006526
  O     19.85079506      8.14195185    -13.95065454
  H     17.71105188     11.12608293    -13.49734546
  H     13.51207165     10.79726828    -16.19958463
  O     16.80365745      6.80929129    -10.25672662
  H     17.19186530     11.28824558    -14.97976424
  H     13.43033529     11.72014259    -13.01880525
  O     14.10480582     11.35413994    -16.73110265
  H     16.50880981      5.70661396    -15.79290521
  H     13.61408085     10.57147249    -11.99213759
  O     12.96860143     10.99291623    -12.57609196
  H     15.65543152      6.88050741    -16.28105438
  H      9.32221344      8.24403932    -14.93432537
  O     10.15962737      8.43249161    -14.51987278
  H     17.75506287      7.72102262    -16.30893281
  H     10.47991116      7.59417075    -14.13981442
          69
 Energy    -248.30661466905894     
  O     12.97647995     10.28247066    -15.40242834
  H     13.66388179      9.62782224    -15.19901385
  H     17.32685399     11.49525313    -15.91825303
  O     15.19321293      6.34468397    -13.01643416
  H     13.39303833     11.15037940    -15.33178766
  H     14.99383986      7.86378472    -14.09542546
  O     17.78904563     10.02068315    -12.32490958
  H     16.07312591      6.60566024    -12.71173851
  H     15.86910962      8.58404055    -15.15565957
  O     13.28590832      6.43407606    -16.18538783
  H     14.55517118      6.54358058    -12.32003970
  H     11.75590538     10.00088371    -14.15620106
  O     14.92265362      9.64942940     -9.12896275
  H     16.90415747     10.37910823    -12.49488011
  H     10.32056184     10.10338250    -13.58680599
  O     13.31224081      7.07482994    -11.16044395
  H     17.88828904     10.02809798    -11.36474949
  H     17.60718239      8.01069129     -9.51701896
  O     15.25865433     10.87549130    -12.94065266
  H     13.99038378      5.81037478    -15.98145889
  H     17.61288155      6.93122757    -10.60660997
  O     17.40200638      8.47041364    -16.19891736
  H     12.79207068      6.56707522    -15.36394221
  H     12.30324278      6.81421294    -12.85464717
  O     14.84286426      6.79935249     -8.81996902
  H     14.24566760      9.84173090     -9.78935103
  H     11.57179181      7.88505854    -13.65799988
  O     17.98786211      6.04974198    -14.95531905
  H     14.80961482      8.71816768     -8.90004820
  H     18.44471088     10.42939604    -13.94052286
  O     15.42289388      4.72873754    -15.18649010
  H     13.73513685      6.87243702    -10.31636166
  H     19.60865549     10.82658498    -14.87430966
  O     16.58173875     11.82338497    -16.43509829
  H     13.25844774      8.03971359    -11.21371256
  H     18.00352646      6.74409258    -13.29313847
  O     15.13068525      8.70539034    -14.54676256
  H     15.00998365     11.61713287    -13.50421018
  H     17.82631016      8.09988877    -12.52079043
  O     11.19677722      9.78152731    -13.39096742
  H     15.22031218     10.08158509    -13.50207829
  H     16.63507253      9.92347514     -9.38707342
  O     17.40194899      7.08128494     -9.67480053
  H     17.02599596      8.81743514    -17.01833615
  H     17.96225509     10.47236513     -8.81450637
  O     11.95900264      7.00572751    -13.73434817
  H     17.93388313      9.17236526    -15.80221825
  H     16.17947403      9.70596021    -19.24254971
  O     18.68099277     10.60238048    -14.86669401
  H     15.76960631      6.80652170     -9.12060398
  H     15.18325917      9.34482789    -18.11494756
  O     17.78436914      7.13997757    -12.43560534
  H     14.80706748      6.23716736     -8.05100621
  H     13.91110263     10.28072222    -11.86817584
  O     17.59962541      9.94826653     -9.52377868
  H     17.85728011      6.83470945    -15.50571839
  H     12.41102387      9.91658972    -11.94539538
  O     16.06537765      9.71925653    -18.29646332
  H     17.22959391      5.48237520    -15.13839419
  H     14.31733171     13.58330587    -15.10412653
  O     13.18515519      9.87840515    -11.36997206
  H     15.28126240      5.22378873    -14.35961217
  H     15.23794332     12.41775217    -15.54577222
  O     14.47327620     12.65060257    -14.98732446
  H     15.21716760      3.81666882    -14.99482803
  H     13.53579040      7.86697770    -17.24075069
  O     13.64925930      8.72940414    -17.67059547
  H     16.40824621     11.16741900    -17.12264188
  H     13.19849548      9.36021674    -17.09841494
          69
 Energy    -248.30655264047215     
  O     14.44493888      9.92060892    -10.51848678
  H     14.26723676     10.43527038    -11.31706766
  H     17.62502288      5.08285801    -11.52779922
  O     13.67791697     10.70445040    -16.48122460
  H     13.67427190      9.36262506    -10.32948742
  H     12.32228339      7.57173987    -10.94084280
  O     16.97912736     10.87264050    -13.39883069
  H     13.27567224     10.06426885    -15.88108126
  H     13.00183626      7.40176994     -9.55014745
  O     13.54075730      4.87319211    -13.38477588
  H     13.63474555     11.55488322    -16.02629334
  H     18.44847661      7.66106140    -14.72440907
  O     16.79669179      7.30249780     -8.77943166
  H     17.45982232     10.61697341    -12.59828094
  H     19.66566624      6.71307231    -14.67161339
  O     16.60722285     12.69093439    -15.50832063
  H     16.03517301     10.87916545    -13.19627434
  H     14.93519102     13.07026123    -15.13551442
  O     15.45101759      7.62629962    -11.88296583
  H     13.84657305      4.78663992    -12.46805211
  H     13.70409551     13.99713690    -14.97656393
  O     14.17012495     11.02290934    -13.01089316
  H     14.32775007      4.76796634    -13.92426665
  H     12.42185457      8.34377552    -13.83165869
  O     18.10272505      7.05400005    -11.50407476
  H     16.79754810      8.26779839     -8.71703079
  H     13.75600240      8.40988526    -14.59708739
  O     18.26269824      9.91864190    -11.17909161
  H     17.38975992      7.08622174     -9.50434951
  H     16.24796802     10.53025200    -18.33839182
  O     16.46553039      5.12025391    -14.31858181
  H     16.61308965     12.06480678    -16.24222750
  H     15.30913594     10.52333995    -17.11021514
  O     17.11635865      4.29471607    -11.74773235
  H     16.90334880     12.18804713    -14.73619244
  H     10.93306202      6.58345633    -12.79237598
  O     12.54421942      8.03055732    -10.12176462
  H     15.32015598      7.70893505    -12.83564814
  H     12.40738868      6.19597685    -13.02420878
  O     18.80116597      6.86382118    -14.29583507
  H     15.11780795      8.41977660    -11.44911604
  H     14.11681418      6.14133294     -7.49417803
  O     13.98797024     13.09001437    -14.90829734
  H     13.70538335     10.30280575    -13.46162586
  H     15.14778254      6.69879627     -8.50161204
  O     12.96119500      8.92411054    -14.38050096
  H     14.02770130     11.81786354    -13.53856124
  H     14.87517597      6.02879879    -11.24322338
  O     16.24355603     10.51488697    -17.38500518
  H     17.16182876      7.26465124    -11.63069396
  H     14.39265972      5.34967347     -9.95164834
  O     11.82545426      6.91687975    -12.72838154
  H     18.47140450      6.96645505    -12.39240541
  H     15.59660492      6.66870066    -14.61528404
  O     14.23059690      6.38571776     -8.40875663
  H     17.80161234     10.07307938    -10.34524608
  H     16.04079942      8.11388109    -14.98752030
  O     14.61246126      5.17058613    -10.87195205
  H     18.37962784      8.96371501    -11.24291952
  H     16.48832511     10.80557440     -8.24241093
  O     15.29645794      7.58667827    -14.67142269
  H     17.29246370      5.58050595    -14.50680730
  H     15.78743674     10.10593189     -9.43443845
  O     16.59508006     10.11371800     -8.88943224
  H     16.62839018      4.69381321    -13.46369953
  H     17.21219432      9.49970184    -16.17480451
  O     17.54121420      9.07126064    -15.37447070
  H     16.26278699      4.41434058    -11.30813476
  H     17.42088635      9.70741565    -14.65140980
          69
 Energy    -248.30652622756841     
  O     13.69834317      7.02790213     -7.73924283
  H     13.45167858      6.97000913     -6.82066863
  H     12.67588032      6.41475331    -15.44397781
  O     13.94910331      5.24537351    -15.79535220
  H     12.91740182      6.76847654     -8.26242964
  H     16.52875877      8.27640154    -11.92447913
  O     17.11676783      6.08586294    -13.92880979
  H     14.75545576      5.62187729    -16.16643167
  H     15.31557203      8.19493184    -12.89736871
  O     16.01038339     10.75947733    -14.26092619
  H     14.23036660      4.73296452    -15.02562514
  H     13.26169764      8.45436326    -12.42590726
  O     10.70717850      6.16827921    -12.84919249
  H     16.83038734      6.94586171    -13.58673254
  H     13.14103206      7.53404556    -13.68870769
  O     17.34864533      3.79913753    -10.31184648
  H     16.99902459      6.13546831    -14.88579367
  H     11.19184841      6.95026167     -9.86653457
  O     16.97225678      7.59891736    -10.32950021
  H     16.18324274      9.98240431    -13.70092604
  H     12.19530659      5.81371144    -10.14179821
  O     13.16306153     10.96806650    -13.95088681
  H     16.70591918     11.38772634    -14.08578796
  H     13.83147430      4.75513786    -12.20352842
  O     16.28394954      2.07924809    -12.16297837
  H     11.39093264      5.58487994    -12.50731900
  H     13.41790914      6.21821174    -11.97515826
  O     15.30723583      9.01026930    -16.40919398
  H     11.03144184      6.46461726    -13.71312172
  H     16.02063680      7.43384706    -16.55478073
  O     12.52131490      9.59995317    -16.20376016
  H     16.63505505      4.31899660     -9.91855965
  H     16.77869866      6.43684013    -17.46325027
  O     12.06305014      7.07388756    -15.07995043
  H     17.93127938      4.43787908    -10.73899317
  H     15.43977197      3.35215141    -13.07101554
  O     16.24445007      8.47126545    -12.82712447
  H     17.74835244      7.12970266    -10.65953184
  H     15.76883707      4.79902929    -13.53190450
  O     13.66707606      7.71496999    -12.89941853
  H     16.36509456      6.90184041    -10.03896496
  H     19.70215688      5.83323731    -11.96876243
  O     11.74463002      6.28940505     -9.43225919
  H     14.12657935     11.01781895    -13.98438167
  H     18.27380909      5.85201742    -12.55480291
  O     13.31455009      5.32289408    -11.61472400
  H     12.93075702     10.70751776    -13.05028155
  H     10.38920269      7.48065898    -11.73169813
  O     16.38939564      6.53300150    -16.59822808
  H     16.70010259      2.61159237    -11.46360307
  H      9.40092188      8.38968079    -10.96442080
  O     15.04815495      4.16556306    -13.42158594
  H     16.29398365      1.17827613    -11.85266470
  H     14.79493154      5.94963381     -8.80697285
  O     18.77995689      5.86111171    -11.72552425
  H     15.63403476      9.65722701    -15.77265013
  H     14.60543604      5.40754738    -10.24755811
  O     10.32434255      8.16304502    -11.03925742
  H     14.35598433      9.16152079    -16.46370491
  H     14.23219739      8.48661924     -8.84879523
  O     15.25888253      5.54162914     -9.54884372
  H     12.67673945     10.11697354    -15.39232712
  H     15.42524212      8.82245869     -9.75007455
  O     14.52531412      9.09219553     -9.54173739
  H     12.00317462     10.14975259    -16.78532903
  H     11.79065440      9.34450556    -11.20283367
  O     12.61674544      9.79022968    -11.43005970
  H     12.14206848      7.89001974    -15.58724321
  H     13.25380175      9.63527261    -10.71511319
          69
 Energy    -248.30631913408854     
  O     18.39418712      9.75923179    -15.29530242
  H     18.72533735      8.86886009    -15.46060244
  H     14.81040527      9.45358254    -14.43893703
  O     21.62415301      7.03496235    -14.12765694
  H     17.47149755      9.75818561    -15.57721784
  H     17.98208983      6.66741162    -12.37779657
  O     16.68975302      7.95295153     -9.75207869
  H     21.46869917      6.28209888    -13.52728440
  H     17.22778476      7.89978612    -12.91228521
  O     13.08319625      9.80433008    -11.10287399
  H     22.53062938      6.97388988    -14.41635442
  H     14.21038659      6.18671882    -13.56044422
  O     15.66292621      9.41316683    -16.11412319
  H     16.06730634      8.50215931     -9.25839035
  H     13.97172602      7.67781208    -13.19370950
  O     11.60496696      7.36869704    -11.30335731
  H     16.15944641      7.21266244    -10.08518555
  H     19.55856612      7.22641175    -11.08928008
  O     15.03597049      5.89861996    -10.63196992
  H     12.44065392      9.08484793    -11.14707721
  H     18.30532330      7.00075513    -10.20967891
  O     20.89806497      5.04141582    -12.45384199
  H     13.50182834      9.83148781    -11.97203817
  H     18.55453515      6.98406135    -14.56482659
  O     17.21014539      4.23560728    -11.06895024
  H     15.89705131      8.49240692    -16.32874212
  H     20.01849960      6.98951479    -15.08091837
  O     16.83222932      3.01901964    -13.45558804
  H     15.31678941      9.80040322    -16.91441271
  H     14.29600358     10.10453935     -8.17562827
  O     19.27087905      4.08891994    -14.46169772
  H     12.26687241      7.06138909    -11.94601632
  H     14.01140744      9.61724427     -9.61493161
  O     14.53292642      9.37372171    -13.51888026
  H     10.75335872      7.09554207    -11.63462238
  H     20.11515776      9.30511762    -12.21117110
  O     17.48977149      6.99866660    -13.13841198
  H     14.62591958      6.17456585    -11.46074380
  H     20.96704809      8.10774195    -12.68213017
  O     13.70435226      6.77148358    -12.98105389
  H     14.38196357      6.05657685     -9.93538455
  H     19.44845379     11.67374911    -12.97783782
  O     18.95596907      6.54002301    -10.75512351
  H     20.32991830      4.57556208    -13.08849798
  H     18.91760364     10.47244692    -13.80206349
  O     19.09718752      6.95651309    -15.37057124
  H     20.33105540      5.34152065    -11.73826020
  H     16.25563359      5.94217679    -13.89859500
  O     14.47256026      9.39406658     -8.78675989
  H     16.39663148      4.71790734    -10.85714782
  H     15.89822715      4.46262664    -14.15654800
  O     20.49732975      8.46881919    -11.92047708
  H     17.93155747      4.82378995    -10.82619934
  H     17.44502751      6.83026087    -16.39828279
  O     19.14996464     10.77159500    -12.90381073
  H     16.98933080      3.39061577    -12.56800537
  H     16.09053690      6.25028762    -15.94879854
  O     15.62777840      5.36527979    -14.36368683
  H     16.67033747      2.08672552    -13.34084242
  H     12.46087510      6.99561960     -9.60796509
  O     16.49629076      6.87024655    -16.57037020
  H     18.42074294      3.69506666    -14.22929462
  H     13.50695430      7.68546081     -8.70987516
  O     13.10970488      6.82924369     -8.91171401
  H     19.08473780      4.87754685    -14.97900885
  H     16.85846953      9.06244449    -11.19650442
  O     16.81987415      9.48862208    -12.06358615
  H     15.33300917      9.49741217    -12.98345061
  H     17.61722940     10.01450935    -12.19867664
          69
 Energy    -248.30628931643548     
  O     16.86264992     10.47590603    -14.72864040
  H     17.59831511      9.84653444    -14.78013330
  H     12.40116376     11.34698736     -9.36484380
  O     14.76087600      7.03946241     -9.04042827
  H     16.11151687     10.04139142    -15.16032365
  H     15.99774735      5.60692864    -14.66660266
  O     12.57058153      8.04661725    -10.58092475
  H     14.84474229      6.52365421     -8.24377170
  H     16.64236948      4.24814384    -15.01376177
  O     14.80158575      8.92134018    -15.66994154
  H     15.03296668      7.94937831     -8.81921747
  H     15.75906620      8.04864322    -11.79107437
  O     18.91646380      8.62832785    -14.71947552
  H     13.22260333      7.58545528    -10.03990678
  H     15.53774341      6.95402339    -10.70624587
  O     20.90216479     10.09947142    -13.37645990
  H     12.61667660      8.97024096    -10.30692019
  H     17.60358694      6.28347256    -16.24195519
  O     18.25112042      6.66181568    -12.86518029
  H     15.03753534      8.65986779    -16.57259354
  H     18.38899467      7.60421957    -16.21773695
  O     12.03125601      7.25409998    -13.12506719
  H     14.79603218      8.12027768    -15.13068775
  H     17.80103263     13.66607547    -10.77436637
  O     15.58635431     12.83234473    -13.44678172
  H     19.70911858      9.07010608    -14.39239517
  H     17.63179819     12.14005211    -10.95952769
  O     12.51403866      9.82592711    -14.31103862
  H     18.68152936      7.96293674    -14.05613119
  H     16.58189863      7.68608089    -17.71757979
  O     13.48109731     11.44275488    -12.35426032
  H     20.32293923     10.87729227    -13.47065409
  H     15.94687364      8.26252982    -18.99706012
  O     13.02999473     10.76647315     -9.78593487
  H     21.79260017     10.39325334    -13.54691329
  H     16.15827708      9.95334516    -13.10504845
  O     16.83903464      5.17300345    -14.88476712
  H     17.97964932      6.01073082    -13.52291133
  H     14.88278694     10.23734004    -12.27277589
  O     15.86326754      7.10228173    -11.60069231
  H     17.46612130      6.79788891    -12.31267586
  H     18.32539673     11.66888465    -14.16658951
  O     17.93616868      6.98964964    -16.80948247
  H     12.20858787      7.52362632    -12.20597061
  H     18.67930752     12.48246869    -12.91174823
  O     17.64348697     12.99097068    -11.42931653
  H     11.17710396      6.82993211    -13.12553363
  H     16.83524795     10.22033450    -11.01788648
  O     15.77184609      8.08705111    -18.07687675
  H     15.98225764     12.19460999    -14.05057697
  H     18.26697335      9.89001259    -10.54209149
  O     15.69724437      9.72044075    -12.28928645
  H     16.24746466     12.98833085    -12.76006568
  H     15.05101026      6.71134249    -13.15151029
  O     19.06573308     12.06245164    -13.69064394
  H     13.24327439      9.61959715    -14.91160813
  H     13.67537364      6.69953720    -13.83561560
  O     17.50826092     10.46479029    -10.36405659
  H     12.23248658      8.97809434    -13.94754769
  H     19.22349037      7.95232928    -11.67221691
  O     14.61855573      6.59052571    -14.01056403
  H     13.04099108     10.95520757    -13.06806661
  H     20.08019125      9.20939505    -11.88986655
  O     19.50748240      8.76974806    -11.24863839
  H     14.10788919     12.06587351    -12.74857236
  H     16.18900767      9.97631179     -9.09212602
  O     15.40063678      9.63352334     -8.65257845
  H     13.15137066     11.09695332    -10.69355443
  H     14.64493269     10.12743009     -8.99627678
          69
 Energy    -248.30620795130574     
  O     -8.51573130      0.38500283      5.57460194
  H     -8.78263405      0.85424086      6.37457881
  H     -4.99978423      1.12079234      1.44645525
  O     -5.23519546      1.42626083      5.47923596
  H     -8.16327541      1.07215364      4.98549124
  H    -10.29135478     -0.26149714      3.07913959
  O     -7.10198449     -1.24231198      3.73774228
  H     -5.46056791      0.53863355      5.75619261
  H     -9.97711659      0.19143164      4.52135319
  O     -6.55350144      3.11472011      7.50902111
  H     -5.95963328      1.72518172      4.89970618
  H    -11.68024669      4.22083640      6.53787873
  O    -12.76391555      0.62079243      5.68374146
  H     -7.75794033     -1.29098676      3.03119716
  H    -12.41518423      3.24650256      7.47101588
  O     -7.37397339      2.30080563      3.99997183
  H     -7.57461677     -0.86317039      4.48959028
  H    -13.38327817      3.50683212      5.42519432
  O     -9.25588934      2.21939995      7.52025682
  H     -7.45432561      2.79061242      7.63838623
  H    -14.55970919      3.48507805      4.41924428
  O    -11.90748149      1.47277743      8.12994792
  H     -6.09714317      2.46060830      6.96932227
  H     -8.42657611      2.33635085      1.16745810
  O     -7.77114581      5.05104003      4.54564091
  H    -12.11811467      0.32027387      5.03120581
  H     -7.01467610      1.65591825      0.95654651
  O     -5.26375368      4.31197203      1.93871585
  H    -13.21653359      1.36891922      5.27530168
  H     -9.30763239     -1.28124384      0.90584808
  O    -11.17320357      2.90070437      3.34135956
  H     -7.51203178      3.24723250      4.12573293
  H     -8.69298206     -0.00216574      1.52611159
  O     -5.18144867      1.72946304      0.70752251
  H     -7.52707205      2.08102306      3.07350077
  H     -9.29086573      4.55545752      5.32239441
  O    -10.67064175      0.18435875      3.84552044
  H    -10.08875456      1.92312821      7.90681285
  H    -10.43647259      3.64449463      4.83231129
  O    -12.55472746      4.00766059      6.89487326
  H     -9.50029023      2.88476442      6.85773446
  H     -6.65733135      5.29874085      1.85774215
  O    -13.70066543      3.11086208      4.59358074
  H    -12.35671628      0.98944762      8.81817736
  H     -7.33410206      6.61689318      1.40313959
  O     -7.90045963      1.53482085      1.31878100
  H    -12.20714592      1.09566076      7.28326651
  H     -5.59903926     -0.43661984      3.10105632
  O     -9.11934366     -0.85256177      1.73634471
  H     -7.66242501      5.47011851      3.68241400
  H     -4.59297148      0.57626128      3.65865862
  O    -10.06943259      4.06738773      5.62107801
  H     -7.04965599      5.32782285      5.12402140
  H     -4.32604728      3.08155068      4.89857584
  O     -7.47798435      5.82458527      1.91257018
  H     -5.16794407      3.47156085      1.47813197
  H     -4.59883825      4.56670749      5.14963423
  O     -4.83881855      0.11288742      2.85446607
  H     -4.84242986      4.20488386      2.80357264
  H    -10.05377602      3.61996721      1.98052328
  O     -4.21428589      3.95544263      4.50898850
  H    -12.09398321      3.02777211      3.60399590
  H     -8.88185116      4.54646601      1.51802180
  O     -9.40210669      3.76970909      1.28240176
  H    -10.98613186      1.95678530      3.44398898
  H     -6.03786238      4.66770850      6.90156429
  O     -5.73849103      5.45713686      6.41438267
  H     -4.59933398      1.48034562     -0.00511387
  H     -5.49708102      6.10988476      7.06552074
          69
 Ord_Energy   -248.306122    
 O    1.55019987       3.42604017       2.42395997    
 H    2.39583826       3.02402544       2.24551392    
 H   0.880115926       2.72093344       2.35215878    
 O   -4.18166780       3.29305029      0.599355102    
 H   -4.27772284       3.94830275     -0.109414391    
 H   -4.79450035       3.51569271       1.31598592    
 O  -0.510615349       9.51063347      0.733588219    
 H  -0.540875971       8.80470943       7.28822500E-02
 H  -0.321341574       9.06691074       1.57018924    
 O   -4.09569502       8.70977116       5.88556814    
 H   -4.90801477       9.20788193       5.93237877    
 H   -3.67820454       8.95656109       5.04433393    
 O   -2.21269155       1.50657642       8.89637321E-02
 H   -2.54378796      0.716842890     -0.330849737    
 H   -2.98445225       2.07066464      0.272865593    
 O   -2.41410685       4.78664160       2.14402366    
 H   -2.99369812       5.51625872       2.39894962    
 H   -2.94328046       4.22524166       1.56146979    
 O   -4.32244062       6.78005981       2.41351390    
 H   -4.18544149       7.06092787       1.49745655    
 H   -3.97586107       7.49831200       2.95439839    
 O  -0.541348815       3.54060984     -0.966235459    
 H   -1.06425619       2.79987526     -0.633435488    
 H  -0.247541055       4.03933620     -0.197834447    
 O   -2.03779817       2.97021246       4.20848513    
 H   -2.85169244       3.03184414       4.72078466    
 H   -2.13668513       3.62832761       3.50310421    
 O   -5.57399654       4.25374413       2.77510071    
 H   -5.33330441       5.18569040       2.68132901    
 H   -5.27599192       4.00325966       3.65772009    
 O   -1.64955091       5.27650595      -2.71918964    
 H   -1.40449572       5.09750557      -3.62278223    
 H   -1.23322797       4.58793354      -2.16960216    
 O  -0.438618898       7.74917555       2.99366403    
 H  -0.328389198       7.45083809       3.90752482    
 H  -0.217544720       6.99355936       2.43795562    
 O   -4.16212606       5.25614929      -1.31607449    
 H   -3.39351487       5.22475529      -1.89839220    
 H   -4.18151712       6.15607166     -0.967480659    
 O   -4.44396687       3.76970506       5.39453888    
 H   -4.00386238       4.62474298       5.55839300    
 H   -4.93555117       3.55985117       6.18385029    
 O   -3.14108658       6.10331821       5.80003166    
 H   -3.55013466       6.97162867       5.91846895    
 H   -2.19397736       6.26494455       5.73737717    
 O   0.382274687       4.16632128       4.94130278    
 H  -0.450088859       3.68395424       4.83549786    
 H   0.921203494       3.93118954       4.17816162    
 O    2.33371202E-02   5.44072104       1.26311409    
 H  -0.857347012       5.18431044       1.58984518    
 H   0.667159438       4.84609318       1.66880333    
 O  -0.468294352       1.63565993       2.32832336    
 H   -1.04773843       1.90555394       3.05475020    
 H   -1.04430854       1.48647833       1.56957769    
 O  -0.935362220       7.15385914     -0.743037164    
 H   -1.11794019       6.62402201      -1.52902508    
 H  -0.520150244       6.56273222      -9.97807235E-02
 O   -3.07278514       10.3766661      0.919292152    
 H   -2.12413263       10.1784134      0.812100232    
 H   -3.20276213       11.2750883      0.628897905    
 O  -0.318542719       6.68248463       5.55997705    
 H   0.101604857       6.97060490       6.36620045    
 H   -5.93315996E-03   5.77655458       5.38325691    
 O   -2.92252612       9.03368282       3.40990996    
 H   -2.06898165       8.59670067       3.28319621    
 H   -3.06699920       9.58782005       2.63342142    
 O   -3.61798453       7.76734352      -9.73381326E-02
 H   -2.69727659       7.53677654     -0.288049191    
 H   -3.61017585       8.70261097      0.137452558    
          69
 Energy    -248.30601673103610     
  O     16.32785636      8.41899756    -17.11965119
  H     15.49109883      8.22450262    -16.66765602
  H     19.95586809      3.77219892    -15.92366284
  O     18.00184220      5.98589872    -11.75573403
  H     16.78282270      9.05247117    -16.55354930
  H     19.28060260      7.42163885    -16.50496661
  O     19.42393337      4.28619131    -17.48280264
  H     17.49087312      5.18523904    -11.94274027
  H     17.90601599      7.46582301    -17.23647602
  O     17.09560446      3.65969898    -18.96630319
  H     17.60170688      6.69405738    -12.28250828
  H     17.18172735      4.70293961    -15.06678283
  O     13.87017298      7.31738543    -10.14572929
  H     18.69552638      3.93550495    -18.00937497
  H     17.57700790      5.93993595    -15.92996301
  O     14.01161587      4.82319934    -13.33123684
  H     19.28763958      5.24396250    -17.47234263
  H     13.85845831      6.76055055    -15.96900031
  O     16.79382181      7.73724816    -13.52154791
  H     17.00872296      3.37703699    -19.87340749
  H     13.88565387      7.79834970    -14.83734111
  O     17.46124225      2.94177888    -14.61873700
  H     16.62516535      4.50839901    -18.89572211
  H     14.49892896      3.76868400     -9.91667539
  O     13.12824361      4.58207490    -10.65236280
  H     14.74726561      6.97826715     -9.89153840
  H     15.18744309      2.73882377     -8.98701596
  O     20.22587832      8.29480358    -15.12880644
  H     13.58373441      7.89447397     -9.44286868
  H     15.27335759      5.27479733    -15.83563105
  O     15.64040532      2.52915415    -16.75427446
  H     13.97097410      4.68217851    -14.28296254
  H     14.64357645      3.98830491    -16.39884186
  O     20.17653085      3.54410311    -15.00135928
  H     14.01359543      5.78323802    -13.19988246
  H     20.16983133      5.19476853    -14.05850929
  O     18.69416645      6.92504438    -17.08823877
  H     16.82344519      6.99845324    -14.15164559
  H     19.49182881      5.98639386    -12.91072275
  O     16.95517704      5.62058710    -15.26525231
  H     17.11191437      8.51824939    -13.98602803
  H     16.11214686      3.49118524    -11.32864556
  O     14.00028838      7.69798260    -15.79052033
  H     17.15515145      3.06676697    -13.70893935
  H     15.54690717      4.11444916    -12.62963572
  O     15.36302842      3.43940364     -9.60874773
  H     18.42437355      3.00659496    -14.62984462
  H     16.96907661      6.20279740    -10.15949514
  O     14.43192778      4.90011108    -16.14642115
  H     13.20423336      5.51895527    -10.43152020
  H     16.05115267      5.23249646     -9.39321330
  O     20.11830746      6.06306017    -13.64171066
  H     13.24306439      4.53164463    -11.61083166
  H     15.84771211      6.85025358    -18.30157072
  O     16.34966716      3.75099365    -12.22673231
  H     21.14635242      8.52192266    -15.22996278
  H     15.04520530      5.61364251    -17.87428593
  O     16.25452438      6.16888785     -9.51114160
  H     20.19274099      7.51062780    -14.54954624
  H     13.95522648      7.61409949    -11.98549473
  O     15.63374250      5.94832862    -18.56228716
  H     16.15180643      2.76643868    -17.53765208
  H     15.06886902      7.71240921    -13.06469858
  O     14.11776068      7.57396702    -12.93594557
  H     16.27286812      2.50905014    -16.02270815
  H     18.76621020      9.36701414    -15.09095342
  O     17.89923764      9.80434727    -15.10958569
  H     20.93956645      2.97310027    -15.03322048
  H     18.04834763     10.72564282    -14.91031811
          69
 Ord_Energy   -248.305786    
 O   -9.20429802      -1.27385378       3.75959468    
 H   -9.12775517      -1.35620713       4.71855164    
 H   -8.31124020      -1.30365467       3.39952636    
 O   -6.68544054      0.130956605       5.99761105    
 H   -7.17329979      0.804670036       5.49809027    
 H   -7.34806824     -0.485999167       6.32901144    
 O   -8.09521866       1.96664870       4.53947830    
 H   -9.03358555       1.78012824       4.66502190    
 H   -7.96946192       2.87843847       4.83542728    
 O   -7.26625061       1.48093355       1.99293411    
 H   -7.56028986       1.67604411       2.89854240    
 H   -7.04385853      0.543348253       1.98234522    
 O   -9.88192844       2.47371554       1.53117692    
 H   -10.3972960       1.69739091       1.78644121    
 H   -8.96657085       2.16861391       1.50053930    
 O   -11.1886673      0.198925644       2.65943074    
 H   -10.4849024     -0.371719599       3.01820302    
 H   -11.8880796     -0.378358513       2.36570263    
 O   -1.18880415       1.46561861       4.71131706    
 H   -1.14779723       2.14779115       5.39371443    
 H   -1.93003654       1.71148241       4.13976002    
 O   -8.96938324      -1.32580209       6.61059427    
 H   -9.34820175     -0.477072060       6.91082954    
 H   -9.22430801      -1.98308349       7.25138569    
 O   -5.82602930       5.09913063       3.95821786    
 H   -5.19522905       4.75472260       4.60571718    
 H   -5.65868759       4.61396456       3.14304280    
 O   -9.91377640       1.08429313       7.28870487    
 H   -10.4433870       1.42541671       6.55685902    
 H   -9.30454636       1.79590213       7.53562737    
 O   -2.91855478       1.07304335       7.96422482    
 H   -2.36332273       1.81595206       7.69624615    
 H   -2.74764752      0.375520706       7.32126331    
 O   -1.61928117       3.37012410       6.78587770    
 H   -2.48973155       3.61010051       6.42461205    
 H   -1.25230455       4.16357517       7.16662550    
 O   -8.11175919       3.16648841       7.72426796    
 H   -7.18346930       2.91994619       7.81817150    
 H   -8.15007019       3.80862379       7.00428915    
 O   -4.66630793     -0.524164140       4.31487417    
 H   -3.85809517     -0.736280680       4.79831791    
 H   -5.34757757     -0.316929579       4.97515488    
 O   -10.9380512       1.96684837       4.83655882    
 H   -11.1830797       1.36466968       4.12226248    
 H   -10.8995819       2.85426807       4.45794010    
 O   -10.3987474       4.38589907       3.42977595    
 H   -10.9695110       5.06101847       3.07171559    
 H   -10.1860657       3.78186274       2.69669557    
 O   -3.67113781       1.98236716       3.50340152    
 H   -4.15940762       2.42220163       2.79715919    
 H   -4.08979797       1.12869596       3.67720699    
 O   -4.12979841       3.65631557       5.69068050    
 H   -4.66558027       3.18152070       6.34287214    
 H   -3.97904944       3.05236983       4.94876528    
 O   -2.28752637     -0.775658309       5.77986145    
 H   -1.64807832      -1.46612024       5.93440485    
 H   -1.80330133      -2.67999507E-02   5.38736916    
 O   -6.58850384      -1.22076213       2.48374343    
 H   -6.32114506      -1.95497596       1.93603039    
 H   -5.85478878      -1.04953551       3.09768724    
 O   -8.18481445       4.62616158       5.25426674    
 H   -8.93306255       4.71508741       4.65196323    
 H   -7.39057541       4.93198919       4.78874493    
 O   -5.31025839       3.35278869       1.68344021    
 H   -5.23261309       3.65052533      0.780610085    
 H   -6.03598738       2.70619941       1.70754743    
 O   -5.46219349       2.08723378       7.55455780    
 H   -5.90735197       1.36041212       7.09751272    
 H   -4.61801577       1.72862756       7.86451530    
          69
 Energy    -248.30556145484366     
  O      1.33579430      1.95777683      7.05693127
  H      0.49287426      2.31254815      7.36668106
  H     -0.94949181      4.88344825      5.89889168
  O     -1.49672483      3.17412579      5.17463016
  H      2.00378680      2.65110344      7.11563519
  H      5.04900238      0.85248395      8.26113678
  O     -1.22903527      2.73373297      7.90286563
  H     -0.98934184      3.46812612      4.40177532
  H      4.18629416      0.74770891      9.54594273
  O      3.40813872      3.80545124      7.13715443
  H     -1.65028419      2.23089424      5.04233146
  H      7.83480187      2.51183548      4.47988867
  O      2.45927832      2.58126179      3.19383076
  H     -1.04310786      3.55252434      8.37860515
  H      6.62115095      3.47082266      4.42473739
  O     -0.28519530      5.11711273      9.02209192
  H     -1.44370276      2.96524802      6.98652723
  H      1.20826538      1.16291727      5.51150217
  O      4.83571416      1.16714242      3.10770103
  H      4.07930934      3.11902196      7.01481439
  H      0.21243131      0.39940669      4.61957918
  O      1.06819560      6.55013151      4.23593382
  H      3.33884048      4.27786635      6.29766161
  H     -2.34507602     -0.23207808      4.65850078
  O     -1.38077343     -0.05650903      7.71538862
  H      3.30748030      2.16024361      2.99476983
  H     -1.58823724      0.08618458      5.96984947
  O      0.06164659      4.08814175      3.09081913
  H      1.93460996      1.90813098      3.64934639
  H      2.78058179     -0.10838090      5.03195593
  O      3.59587131     -1.78277984      7.70909350
  H      0.59418954      4.77709298      9.26697555
  H      3.65385064     -0.94145678      6.00999187
  O     -0.52011899      5.68257861      6.22870901
  H     -0.56095226      5.70038480      9.72378907
  H      4.60202807      1.05006707      6.13115247
  O      4.81784359      0.26863697      8.99752320
  H      5.59679854      1.60307063      3.50790237
  H      5.82831327      1.99031461      6.01438908
  O      6.89059783      2.55342993      4.60564092
  H      4.54957534      0.50145612      3.74706887
  H      2.55809775      5.51626462      4.44947106
  O      1.14093669      0.64254580      4.69387035
  H      0.83480931      7.44026295      3.98831712
  H      2.97799613      4.05766908      4.09017781
  O     -1.64799033      0.30652261      5.02324779
  H      0.50760113      6.31340623      4.99769058
  H      1.38265007      0.45239296      7.99803309
  O      3.69361178     -0.31322783      5.27920110
  H     -1.45951292      0.87846543      7.95470328
  H      1.99811452     -0.94466054      8.28031643
  O      5.12853517      1.70356678      6.61392549
  H     -0.54117739     -0.34822175      8.09034093
  H      5.00264414      5.05391865      4.26949452
  O      3.25359049      4.85672555      4.56424544
  H      0.36111007      4.97960805      3.30321486
  H      6.14855518      5.86227108      3.63818589
  O      1.33321476     -0.31751211      8.58860805
  H      0.86457591      3.57294059      2.93892732
  H      2.68755114      4.11655667      8.79455068
  O      5.96196348      5.06054854      4.11950610
  H      4.10424943     -1.11915409      8.21088403
  H      2.26792388      3.17858072      9.94336179
  O      2.13836160      4.06633011      9.59009826
  H      3.95618966     -2.63644977      7.93327331
  H      2.04186451      0.73200464      9.90380175
  O      2.54955307      1.34498589     10.45991030
  H     -0.41194246      5.56809810      7.17981075
  H      2.41246262      1.06792851     11.36338149
          69
 Energy    -248.30543719701370     
  O      1.20651420     -0.81063635      5.16960108
  H      0.32750195     -1.21047228      5.29998749
  H     -5.53219062      0.10617715      3.07458744
  O      2.04545638     -0.99439747     -2.80264386
  H      1.68337006     -0.92681300      5.98747887
  H     -2.50876800      0.28814376      3.80651009
  O     -1.32064789     -1.76466425      5.46327286
  H      1.27254059     -0.50743257     -2.48435707
  H     -3.27053510      1.35010806      4.64428777
  O     -0.07429989      0.08755589     -1.29310623
  H      1.86003641     -1.91952769     -2.60060895
  H      0.59477080      1.78132508      1.46643430
  O      1.42712632     -3.56759074     -1.64853648
  H     -1.71242259     -2.49198931      4.96585463
  H     -0.10169947      2.16593004      2.80363418
  O      3.09859154     -2.66161697      0.29427159
  H     -1.92441114     -1.01553551      5.37204784
  H     -1.25034917      1.49741449     -0.96122233
  O     -4.11531002      2.83446867      4.07938025
  H      0.55132287      0.25858802     -0.57414630
  H     -1.32730773      2.40987918      0.26801689
  O     -4.28160107     -2.85306927      2.10590135
  H     -0.46738572     -0.77693445     -1.11716208
  H     -1.32715240      0.76019163      1.99235219
  O     -0.11542256      1.67313152      4.55415763
  H      1.71129939     -4.42898307     -1.94255110
  H     -2.70066696      0.19829170      1.53083901
  O      3.90297371     -0.20929913     -0.97002373
  H      2.02336573     -3.30932251     -0.92225662
  H     -0.25251660     -2.96596959     -1.13748078
  O     -5.71206115      1.73090794      2.04127527
  H      2.73942155     -2.38481685      1.14742486
  H     -0.90546446     -2.56994486      0.21500381
  O     -5.21141263     -0.68100976      3.52963110
  H      3.52896098     -1.88085814     -0.07589099
  H      0.89688196     -1.93620701      2.31616511
  O     -2.81033495      0.49999107      4.70552234
  H     -4.70735816      2.55488014      3.36512851
  H      1.72603358     -1.29248548      3.44626078
  O     -0.20209823      2.18330021      1.84016350
  H     -3.74765420      3.67236021      3.80578159
  H      2.60168178      0.48113125      0.20712220
  O     -1.82107477      2.14048173     -0.51705543
  H     -4.14234567     -2.58012239      1.19466532
  H      1.81218693     -0.11498737      1.39960981
  O     -1.95610317      0.03631095      2.12191421
  H     -4.69207993     -2.10603338      2.56854070
  H     -3.11673654     -3.51443080      3.18351198
  O     -1.01795594     -2.52578049     -0.74772174
  H      0.44451979      0.91689570      4.76908809
  H     -2.58656514     -4.70843332      4.01390468
  O      1.76218912     -1.54856369      2.51699739
  H     -1.00757905      1.40440546      4.79901768
  H     -1.22925471     -3.02332881      2.56760943
  O      1.80851714      0.59732946      0.74383792
  H      4.69739829      0.15427039     -1.35085081
  H     -1.20971418     -1.55545703      2.05750791
  O     -2.38485385     -3.81385074      3.75449796
  H      3.31717076     -0.44770607     -1.71073737
  H     -2.77721698     -2.21530047     -0.76169298
  O     -0.77683904     -2.41988135      1.96660689
  H     -5.12569482      1.38280435      1.34666098
  H     -4.18767185     -2.43891184     -1.34655939
  O     -3.71491881     -1.98739771     -0.65085701
  H     -6.52233017      1.99499542      1.61339912
  H     -3.27820004      1.23691968     -0.12709545
  O     -3.97349490      0.67130042      0.24780649
  H     -4.50827680     -0.37242825      4.11171358
  H     -3.93969132     -0.19408646     -0.17699109
          69
 Energy    -248.30540693107633     
  O     17.94973680      8.37488436    -12.57112302
  H     18.27010248      9.02686424    -11.93449625
  H     12.12779449      9.22678915    -13.78438245
  O     11.62325897      8.74879773    -11.94822243
  H     17.07438410      8.69290953    -12.85079755
  H     16.23020626      8.75166821     -7.33136395
  O     18.86156224      8.64859298    -15.14799283
  H     12.46079401      9.02378377    -11.53651840
  H     16.43544583      9.92055853     -6.33892489
  O     12.27780357      6.02972587    -11.74295427
  H     10.94027473      9.30473267    -11.58063261
  H     14.60879184      9.13438401    -11.73409117
  O     16.72299845      6.17737845    -11.33340759
  H     19.62083664      8.10404932    -15.34001011
  H     14.22657048      8.31526266    -10.46091278
  O     18.47408960     10.43759563    -10.79469816
  H     18.61314093      8.46731173    -14.22650240
  H     18.94350240      9.32764263     -9.38346490
  O     18.65605085     12.63113001    -12.52672616
  H     11.52339738      5.45458755    -11.84789360
  H     18.21279800      9.10746537     -8.05188405
  O     15.92863997     10.90934923     -9.71915235
  H     11.95899687      6.93660177    -11.87169331
  H     14.83645795     12.06530749    -13.42017535
  O     16.46936160      8.98888702    -16.71720435
  H     17.26248272      6.00254233    -10.55093888
  H     14.94287069     11.71513633    -14.94314290
  O     14.65751959      5.71195905    -13.35630042
  H     17.17437586      6.89552247    -11.79842908
  H     18.93565289      5.56035421     -8.61806033
  O     14.49306927      7.61096118    -15.34703740
  H     17.58598661     10.59164159    -10.43920141
  H     18.54773151      7.03675962     -8.86840361
  O     12.52919209      9.43875888    -14.63369081
  H     18.67693271     11.20182927    -11.34789752
  H     15.22385653     10.06877908    -13.54274355
  O     16.54094735      9.67156940     -7.25327327
  H     19.22083329     13.39659839    -12.58764617
  H     15.18133333      8.57675608    -13.95213257
  O     14.11189085      9.16866429    -10.90138816
  H     18.62374906     12.23337607    -13.41562341
  H     18.69316074     10.54866393    -15.06516710
  O     18.89395344      8.73250863     -8.62350340
  H     15.23377906     10.33924940    -10.07743695
  H     17.67858468     11.63488079    -15.47775524
  O     14.42575038     11.56273250    -14.14086435
  H     16.09403379     10.60283423     -8.81866492
  H     15.90307216     12.04927721    -17.28563905
  O     18.23510894      6.11713773     -8.94728203
  H     15.77384769      8.42422335    -16.35009565
  H     16.15262051     10.68159263    -16.60491540
  O     15.49129790      9.18219245    -13.26631715
  H     17.28391423      8.75885947    -16.25535021
  H     15.16980269      6.40848782    -10.43690176
  O     18.47316352     11.48088568    -14.95203852
  H     13.85446280      5.74203638    -12.82326675
  H     13.61854893      6.24737934    -10.41778113
  O     16.05211549     11.63749319    -16.43886708
  H     15.39720784      5.72547892    -12.73808156
  H     16.76389919     12.73441939    -12.20829689
  O     14.36888919      6.59326116     -9.92121615
  H     13.69161949      8.13542277    -15.19721711
  H     15.77671068     12.19754384    -11.16273418
  O     15.82245072     12.63474945    -12.02140248
  H     14.48989080      6.84427354    -14.75570401
  H     15.19880638      6.87638655     -8.28945022
  O     15.86868061      7.06615029     -7.61888527
  H     13.04599832     10.24358717    -14.49076876
  H     16.66975795      6.62996815     -7.93478877
          69
 Energy    -248.30525144438730     
  O     18.13561740     11.94764676    -18.15443108
  H     17.83688643     11.31483703    -18.80340971
  H     17.70381454     13.82193969    -18.37021341
  O     18.87885214     17.72095395    -15.35655426
  H     17.66227774     11.74280583    -17.32891834
  H     20.38718738     15.32870606    -17.18210848
  O     20.29178005     11.29565194    -14.00466164
  H     18.06746075     17.20027431    -15.25568013
  H     19.87858426     14.34596627    -16.11457131
  O     15.95281354     15.96048158    -12.46237472
  H     18.71375394     18.57023003    -14.92129433
  H     13.52062352     13.42460081    -12.14381196
  O     14.99575635     15.24742187    -17.14701373
  H     20.47365930     11.41696109    -14.94760013
  H     15.03232336     13.14767635    -12.32381050
  O     16.46851185     12.35381927    -11.76947192
  H     20.38989527     12.15789196    -13.58109294
  H     21.46637129     16.35596941    -13.89507810
  O     14.64846484     13.00526563    -15.39761138
  H     16.20304553     16.06570210    -13.39269577
  H     20.05914252     16.98729437    -14.09626407
  O     20.65880138     11.80873889    -16.74352965
  H     15.25626949     15.29330500    -12.45235449
  H     17.29909671     15.09196312    -11.57963647
  O     22.67325291     15.54707881    -14.93375057
  H     14.37452079     15.64037226    -17.75366806
  H     18.60734067     15.36495481    -10.81778149
  O     17.36014738     18.32368187    -11.74866508
  H     15.79481907     15.03075338    -17.66178883
  H     16.07584855     12.02359026    -15.60579785
  O     20.00104196     13.88311351    -12.90747912
  H     16.97420145     11.69673313    -12.26238828
  H     17.16078123     11.09716456    -14.94540450
  O     17.32066641     14.70603247    -18.42142946
  H     17.09575721     12.99130922    -11.40681697
  H     18.00684899     20.79727688    -13.67403185
  O     20.67247054     14.61275421    -16.60249388
  H     14.45997534     13.31061025    -14.50190025
  H     17.86364326     19.38737710    -13.07486680
  O     14.28772392     13.68960414    -12.64460524
  H     14.65609441     13.78190886    -15.96998910
  H     20.09875010     16.86700370    -11.76201036
  O     20.64663107     16.59432651    -13.43777248
  H     20.88600383     12.74621588    -16.79578000
  H     20.39841746     17.23933704    -10.29205478
  O     18.03059521     14.65248928    -11.11996951
  H     19.86887400     11.72738174    -17.29068976
  H     18.75814560     10.67584798    -13.56004471
  O     16.94415649     11.60884984    -15.73342577
  H     22.03805373     15.17511690    -15.56751907
  H     17.86966306      9.50145260    -13.08305959
  O     18.21116619     19.88114529    -13.83762640
  H     23.38019563     14.91027527    -14.86397365
  H     18.88695241     13.83107094    -14.31964597
  O     19.70905859     16.92768861    -10.87282647
  H     16.74571899     17.59772924    -11.91557761
  H     17.93261990     13.11633177    -15.32971523
  O     17.84140017     10.41512297    -13.35409442
  H     18.13932412     17.92186443    -11.34570206
  H     19.22190214     17.14772887    -17.01356991
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  H     20.34490624     14.76056421    -13.11870863
  H     19.60408230     17.40888700    -18.48809221
  O     19.36041907     16.71928302    -17.87576731
  H     19.33130166     14.02179831    -12.22324153
  H     17.28309368     15.29190462    -15.12305076
  O     16.70613086     16.07325857    -15.10239359
  H     18.03244905     15.34012007    -18.27858099
  H     16.03276149     15.93698876    -15.77847720
          69
 Energy    -248.30513703665332     
  O      0.50014191      0.35706003      2.83879456
  H      1.12254045     -0.07157994      2.23162032
  H     -2.10112118      2.20369452      1.49737549
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  H     -0.34329641      0.41606717      2.37151451
  H     -1.95563470      2.35013346      5.25817531
  O     -0.82149401     -0.69283469      5.08000174
  H     -2.22924991     -0.00082614     -4.14686949
  H     -2.55733092      1.96975414      6.63518852
  O     -3.36904410     -0.21837715     -0.73055178
  H     -1.35396480     -0.14609410     -2.87493721
  H      0.80627690      3.41704478      1.70025633
  O     -1.80864902     -3.06514294     -2.26078066
  H     -0.24398116     -0.37259733      4.37392704
  H     -0.51703639      3.54869645      0.92203453
  O      0.19458562     -2.36300245     -0.45237119
  H     -1.29889350      0.07677687      5.41032153
  H     -2.70514020      0.37339845      2.30137338
  O     -4.61979273     -1.97507099      3.69925989
  H     -3.03391993     -0.13192870     -1.63094235
  H     -2.45125461      0.18354530      0.75126119
  O      1.35050155      2.88033744      3.43869865
  H     -3.50084937     -1.16573124     -0.57626462
  H     -2.99648562     -2.91479710      0.58339937
  O      0.06119947      0.02412607     -1.96112085
  H     -2.53977047     -3.18208117     -1.64059403
  H     -4.53192405     -2.80614856      0.36522692
  O     -5.10210777      2.67799583      2.02386375
  H     -2.00376070     -2.25345356     -2.74397489
  H      1.59282304     -1.34453790      0.37604914
  O     -3.89434249      0.71062436      3.63342699
  H     -0.35975717     -2.72927991     -1.15726153
  H      2.11808533      0.11050327      0.30096041
  O     -2.31312713      3.14436076      1.56465684
  H     -0.30920618     -2.50151079      0.36011722
  H     -1.68775100      3.50797323      3.30837138
  O     -2.35759955      1.62420532      5.76969284
  H     -3.81730230     -2.41543233      4.00090519
  H     -0.33610144      3.41698333      4.04259795
  O      0.43812614      3.48454915      0.80972068
  H     -4.43864922     -1.02600742      3.75094003
  H      2.58033620      2.24148128     -1.12753531
  O     -2.02546488      0.31323603      1.61262738
  H      1.10765354      1.95326240      3.26707042
  H      1.35564767      2.38037533     -0.19612670
  O     -3.68825882     -2.90172608     -0.09422525
  H      2.22585703      2.87223241      3.81616380
  H     -1.60043919     -2.19539568      4.73507719
  O      2.06956783     -0.66662847      0.87259482
  H      0.67446255      0.67431613     -1.60290880
  H     -1.78081070     -3.70570779      5.02438147
  O     -1.28644596      3.50964724      4.18689596
  H      0.14362034     -0.76483226     -1.40843081
  H     -1.68904261     -2.80779309      2.63349571
  O      1.89260391      1.74149745     -0.69548000
  H     -5.84600285      3.26904142      2.10052863
  H     -1.69853029     -1.54600573      1.74226765
  O     -2.05545176     -3.00502925      4.43940291
  H     -5.39129386      1.93223794      1.46560203
  H     -6.80151654     -2.74962852      1.55091559
  O     -1.59294987     -2.50587011      1.72221572
  H     -4.37798040      1.44113133      3.22763602
  H     -5.53839199     -2.20536306      2.26159247
  O     -6.00047493     -2.25354870      1.40466224
  H     -3.44038003      1.04379933      4.41857695
  H     -5.95522391     -0.38380330      0.87789927
  O     -5.71193395      0.49549719      0.56694784
  H     -3.27560762      3.17944383      1.62012329
  H     -4.95331639      0.35437789     -0.01726461
          69
 Energy    -248.30500262764971     
  O     12.97725756     13.34728360    -13.79802041
  H     12.36260854     14.07392253    -13.74225383
  H     15.43736182     12.44355090    -16.76642250
  O     15.07103131      7.10369161    -14.22223607
  H     13.02852251     12.95421415    -12.90799903
  H     15.35874274      8.85886366    -14.44269471
  O     19.41303826     10.84864313    -13.07617310
  H     15.99196170      6.80898340    -14.27420290
  H     14.54162722     10.14784969    -14.73541860
  O     17.09430133      9.87137456    -16.86540635
  H     14.67373868      7.02640110    -15.09930196
  H     13.89941874     11.67261545    -11.15189223
  O     17.22989137      9.65665393     -9.02783585
  H     19.99852340     11.59692036    -13.16003543
  H     12.52107977     11.20064765    -11.62653040
  O     14.27978463      8.15888693    -11.78503610
  H     18.50494889     11.19599479    -13.10624427
  H     18.12917246      6.42616127    -12.56942500
  O     16.79494951     11.60763982    -13.15375207
  H     16.51353617      9.77997106    -16.09373259
  H     18.87978778      5.69308080    -11.43872838
  O     16.62855395      7.22704730    -17.79242115
  H     16.72712643     10.62214086    -17.34350189
  H     11.19941662      8.96734730    -12.01479043
  O     16.09362613      7.19400794     -9.99232523
  H     17.96705466      9.49912961     -9.64673268
  H     12.74437484      8.95779299    -12.06160176
  O     13.94791274      7.26272460    -16.82060380
  H     17.61627562      9.89592659     -8.19042809
  H     18.48229145      9.26379561    -15.75555946
  O     17.90531798      5.10678299    -16.62664348
  H     14.81095432      7.74212972    -11.09044519
  H     19.20717713      9.52736083    -14.41232853
  O     15.40400915     12.00569890    -17.63504911
  H     14.50749507      7.71687083    -12.61456815
  H     17.87304355      5.89910648    -15.03029391
  O     15.43719408      9.79820485    -14.64994131
  H     16.38934659     11.44344306    -12.29245923
  H     18.23078468      7.33262384    -14.54056312
  O     13.03984300     11.99609583    -11.45452393
  H     16.39431435     10.94454233    -13.73932726
  H     18.94560045      8.20231913    -11.19040629
  O     18.33382649      6.45459570    -11.61969031
  H     15.69332492      7.17335183    -17.56174128
  H     19.29629215      9.65305379    -11.61958061
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  H     16.88789022      8.13509333    -17.59198362
  H     13.01650090     10.19414947    -16.48429713
  O     18.96852355      8.83514313    -15.03915832
  H     16.44127633      7.95409880     -9.51018922
  H     14.08395379     10.56636043    -17.52759853
  O     17.78392647      6.50937714    -14.28505500
  H     16.82901502      6.86171715    -10.52351836
  H     15.09055744      9.82170597    -11.29493583
  O     19.12563370      9.08978184    -10.85544881
  H     13.76701702      8.19616351    -17.02991093
  H     16.00884474     10.40469708    -10.19267742
  O     13.42620153      9.89601019    -17.30879563
  H     13.25606606      6.75230056    -17.23384341
  H     16.03266486     12.78995928    -14.46356339
  O     15.43043736     10.64848004    -10.92614756
  H     18.52831071      4.71330928    -17.23143717
  H     14.62588663     13.34895305    -14.71369834
  O     15.46898068     13.17009519    -15.14857964
  H     17.48756539      5.83952297    -17.11267600
  H     12.39038238     10.22774977    -13.95975147
  O     12.74608069     10.69007166    -14.72907796
  H     15.40395870     12.70047885    -18.28822188
  H     12.76079924     11.62991153    -14.50744896
          69
 Energy    -248.30496462752825     
  O      0.17940523      0.52245303      5.24460926
  H     -0.13988587      1.28063580      4.73724761
  H     -5.69565827     -1.03843655      2.83661572
  O      2.43298841     -2.21700166     -1.62234598
  H     -0.59987486      0.11748548      5.64255560
  H     -0.28202432      2.38972706      0.22300122
  O     -2.21788567     -0.72163158      6.32435442
  H      1.66259850     -1.63517481     -1.56471928
  H      0.90088262      1.89250954      1.08139381
  O      0.25462950     -0.60162565     -0.84456104
  H      2.16288613     -3.04140745     -1.19864816
  H     -3.44642150      0.37244193      5.50100216
  O      1.53064093     -4.35617642      0.07819766
  H     -2.16738698     -1.05046550      7.21817159
  H     -3.84681297      1.64896723      4.67625705
  O      2.96003482     -2.95874930      1.92801923
  H     -2.46549088     -1.47804324      5.76161938
  H      1.71876221     -0.14303350      2.02377061
  O     -3.70245374      3.26147030      3.52359706
  H      0.79308762     -0.29919610     -0.09813251
  H      2.74251246      0.02689736      0.86975594
  O     -4.97244068     -2.74690609      2.57934985
  H     -0.27171936      0.15439413     -1.12671536
  H     -2.12148830      1.32166901     -0.76705342
  O     -0.96682830      2.40431166      3.46575624
  H      1.77902884     -5.27596147      0.11371541
  H     -1.67888875      2.10858341     -2.02519882
  O      4.12922017     -1.02305366      0.14607994
  H      2.01728611     -3.90872467      0.79386629
  H     -2.97609751      0.08430204      3.37753901
  O     -5.42024202      2.08943198      1.58626655
  H      2.50922550     -2.42074608      2.59269225
  H     -1.69316540      0.81965624      2.93683616
  O     -5.92276720     -0.11960711      3.02304714
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  H     -0.57266280     -2.12867486     -0.37068050
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  H     -4.26672884      2.91546402      2.81519103
  H     -0.17513365     -3.58659511     -0.05396479
  O     -4.08192781      0.73458986      4.86935676
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  H      0.59682748     -1.69029108      3.21150313
  O      1.89089278      0.33696893      1.20073252
  H     -5.51589192     -3.51997709      2.44778028
  H      1.11683024     -0.59408328      4.16732604
  O     -1.34949659      1.66816490     -1.24623880
  H     -4.48292016     -2.60974201      1.74893310
  H     -2.16121665     -2.77061625      3.99896659
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  H     -0.52563837      2.58846016      2.62054378
  H     -3.69298450     -2.74320485      4.02872963
  O     -0.92142411     -2.97412384     -0.04924047
  H     -1.81695797      2.85774324      3.46150469
  H     -0.96152700     -2.66142691      1.75538216
  O      1.39111322     -1.19426006      3.46002107
  H      4.99771376     -0.84583740     -0.20384710
  H     -1.44041391     -1.49301507      2.65474067
  O     -2.91731556     -2.69926473      4.59948602
  H      3.61531354     -1.44104694     -0.56796443
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  O     -0.97268290     -2.34323204      2.66570175
  H     -6.22302266      2.43957964      1.20931880
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  O     -3.63991543     -2.24506583      0.26148337
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  H     -4.13282690      1.15714169      0.53544846
  O     -3.37625856      0.62583383      0.26359724
  H     -5.41539379      0.12332485      3.81197937
  H     -2.92319795      0.38792933      1.08882357
          69
 Energy    -248.30487281915583     
  O     -7.00065432     -3.43930040      5.82513616
  H     -7.70888977     -2.78221846      5.80143390
  H     -6.43377721     -0.94616880      3.30911411
  O     -7.10072280     -4.35272850      3.24226760
  H     -6.19996358     -2.97782307      6.09911702
  H     -3.89272228     -2.45621269      7.02969193
  O     -5.58837079      1.15990921      0.75937603
  H     -7.05910411     -4.13587202      4.18944426
  H     -4.15355667     -1.82501873      5.64152153
  O     -5.99911875      0.34829536      6.33370754
  H     -8.00549446     -4.60075063      3.06904509
  H     -1.20277100      3.59908254      2.02035384
  O     -5.71326175      5.50956044      2.37019972
  H     -6.42774057      1.41748429      1.17064204
  H     -2.49912193      3.91878532      2.80504005
  O     -8.91898640     -1.39621390      5.34559672
  H     -5.75998452      0.32361384      0.31211192
  H     -8.64664025      3.10317433      4.86125191
  O     -3.58981189     -1.42391662      4.05590680
  H     -5.46733955     -0.41634630      6.58787752
  H     -9.18413266      2.05074382      5.86488116
  O     -4.54896520      3.78498461      0.61908551
  H     -6.27749293      0.17758430      5.41801137
  H    -10.24483389      1.96916956      3.73478884
  O    -10.17327256     -1.18855328      2.81977740
  H     -5.90389414      6.33862812      1.94006281
  H    -11.34309286      2.13002720      2.65711777
  O     -6.36702977     -1.37859897     -0.22085543
  H     -5.34905471      4.91630455      1.68850492
  H     -5.77687255     -2.04892208      1.42655500
  O     -3.67820718      1.13846122      2.84348706
  H     -9.01948300     -0.73241422      6.03647086
  H     -6.11587678     -3.04615060      2.58397631
  O     -6.90882542     -0.28021434      3.82357149
  H     -8.23516411     -1.04707991      4.75004231
  H     -9.69382287     -2.14638366     -0.07309794
  O     -4.55731533     -2.01386090      6.50896393
  H     -3.47332814     -0.53143086      3.70784315
  H     -9.34739964     -1.61579300      1.32059753
  O     -2.12543159      3.37138932      2.09095110
  H     -4.18279576     -1.85828330      3.42589422
  H     -7.63130634      0.67952217      6.97834770
  O     -9.43967968      2.62010569      5.12943168
  H     -4.91257146      2.89617695      0.51292888
  H     -8.66880494      0.88263753      8.10675148
  O    -10.57450788      1.61575496      2.88831113
  H     -3.65284411      3.66443673      0.95740926
  H     -3.85926919      4.05140966      4.55206250
  O     -5.60455758     -2.25583584      2.35097284
  H     -9.89020004     -1.40069181      3.71748193
  H     -4.20159175      5.16817084      3.54843237
  O     -8.96567411     -1.82188381      0.45121134
  H    -10.41648686     -0.25406520      2.83886100
  H     -4.41739161      1.97628688      4.27945303
  O     -8.57774653      0.80880357      7.16006565
  H     -7.30626510     -1.51447549     -0.00143544
  H     -5.09939316      1.82436198      5.66161432
  O     -3.46568947      4.75342922      4.01530932
  H     -6.20837765     -1.82271010     -1.04970525
  H     -7.59288727      2.48709666      2.76984691
  O     -4.78473226      2.47626056      5.02395882
  H     -3.02652068      1.79175129      2.55974880
  H     -8.81310506      1.70062614      2.22133208
  O     -7.85385970      1.77698309      2.16453316
  H     -4.33052343      1.06827896      2.13302026
  H     -6.72299401      4.41575824      3.47524990
  O     -7.06549208      3.68657946      4.00762316
  H     -7.26176269      0.37988723      3.21609225
  H     -6.29706957      3.26938363      4.42331575
          69
 Energy    -248.30466821691471     
  O     12.32197080      8.51539220    -16.41829247
  H     13.08346303      7.93363518    -16.56592466
  H     17.17278032      6.03596474    -13.66813042
  O     16.64755083      7.29135326    -12.42517364
  H     12.63771460      9.40638924    -16.59712560
  H     18.92063659      9.19045009    -12.64483207
  O     14.93166605     11.70363555    -11.63624331
  H     17.27699715      7.90033581    -12.02745666
  H     19.47581432      9.16550218    -11.20587486
  O     17.27267895     10.81822689    -15.25737413
  H     15.81448347      7.34511660    -11.93410542
  H     16.71434530     11.36744320    -18.35170331
  O     14.80327850      4.57567408    -15.19237458
  H     14.58401595     11.47727148    -12.50984933
  H     16.66875931     10.93279242    -16.86660616
  O     12.88515989     10.68970154    -10.06027060
  H     14.20622380     11.53831855    -11.01626591
  H     15.26976112      8.10801400    -15.24845396
  O     14.11695068      7.41961793    -11.29057541
  H     17.33202127     11.36524211    -14.46100790
  H     15.99239680      8.18969403    -13.86665641
  O     13.87806193     10.74678813    -14.04572733
  H     16.72717550     10.04838191    -15.02827094
  H     11.51031267      7.84306782    -15.04950548
  O     18.86238644      6.99776914    -16.15820958
  H     14.50923764      3.68777245    -15.37551610
  H     10.22595424      7.20284861    -14.46930101
  O     14.46221749      8.60022262     -8.77584715
  H     14.22092756      4.92722432    -14.49376870
  H     17.23831951      9.72460997    -10.53171960
  O     19.28044323      9.10043313    -14.32316997
  H     12.47893907     10.19902546    -10.78803932
  H     15.94014040     10.55282780    -10.60284431
  O     17.36834172      5.52341236    -14.46437425
  H     13.28018195     10.02152835     -9.48844362
  H     12.45233117      6.21151572    -13.65520483
  O     18.67132568      9.28094635    -11.70663754
  H     13.50957477      8.06141718    -11.68620745
  H     13.52617327      6.13220214    -12.54949772
  O     16.22469606     10.83574652    -17.72874204
  H     14.18571517      7.65895043    -10.35818701
  H     16.64535760     12.02335150    -12.31783925
  O     15.62114214      8.71530277    -14.58546361
  H     13.67240809     11.06022380    -14.93191471
  H     17.97776129     11.25338718    -12.28391709
  O     11.12429019      7.43661835    -14.25233515
  H     14.47317423      9.99081591    -14.17386361
  H     17.55674977      7.73540796    -17.34314423
  O     16.43784997      9.93858075    -10.04380832
  H     19.54265160      6.44342828    -16.53240010
  H     16.69034753      8.90558719    -17.89189054
  O     13.19291426      5.68171679    -13.33525992
  H     18.33050302      6.42888642    -15.57205242
  H     11.73783871      8.62024231    -12.95733486
  O     17.49984760     11.93527608    -12.76352745
  H     15.23472773      9.06710855     -9.14500515
  H     12.73532640      9.80113051    -12.99546290
  O     16.80290479      7.94908099    -17.90854606
  H     14.64048717      8.45828434     -7.85056959
  H     13.14415399     11.79881214    -17.38215667
  O     12.26354784      9.20404741    -12.39726025
  H     18.74761987      9.78941045    -14.74141160
  H     14.45019460     10.99889529    -17.20817472
  O     13.55428145     11.11520348    -16.85667708
  H     19.23433667      8.34521406    -14.92198039
  H     14.71482957      6.11938429    -16.23525042
  O     14.61754695      7.01566428    -16.57685874
  H     16.53950110      5.09998302    -14.71807562
  H     15.36853327      7.21957394    -17.15435183
          69
 Energy    -248.30463615402482     
  O     12.32165210     12.30032830    -14.06852983
  H     13.12778887     12.78228851    -13.85542090
  H     15.30100441     12.68127301    -16.71350373
  O     15.65217137      7.03814118    -13.97716970
  H     12.55240268     11.67295778    -14.76999454
  H     15.33954153     10.25027174    -13.37675454
  O     17.81938226      9.79552489    -11.49594764
  H     16.48262874      6.94805306    -13.49045034
  H     14.47090479      9.94931329    -14.64699253
  O     17.33570357     10.40130785    -15.83455795
  H     15.49797055      7.99360666    -14.06417462
  H     11.42405889     11.34802683    -12.93523364
  O     14.66519887      8.68896294     -8.86170358
  H     17.80115870      9.53749047    -10.56556417
  H     10.13954976     11.05212600    -12.12249703
  O     13.51514409      7.21943844    -12.19514670
  H     17.05053267     10.36885786    -11.62517858
  H     17.46887127      6.42315795    -10.93545567
  O     15.50624930     11.26820263    -11.90204553
  H     16.60148756     10.11014727    -15.26956547
  H     17.31153350      7.07411443     -9.55340817
  O     14.41093992      5.99546557     -9.82439307
  H     18.09967301     10.47840131    -15.24148996
  H     12.25287082      7.92497467    -13.45646433
  O     18.34877923      7.81548768    -16.54443743
  H     14.47900169      7.76154148     -9.05456759
  H     11.34369490      9.16212615    -13.47652377
  O     15.76057790      6.61765446    -16.68034124
  H     14.14564360      9.19373950     -9.50062053
  H     19.70198666      9.38580734    -14.04456194
  O     20.03301790      7.50139102    -14.44228752
  H     14.24105823      7.04734651    -12.81043941
  H     18.88567651     10.20999129    -13.03345630
  O     15.85912444     12.78801616    -15.94472197
  H     13.71397357      6.71924521    -11.39363948
  H     17.91196855      8.10594400    -12.21487937
  O     15.27854411      9.71040351    -14.17319733
  H     14.70455042     10.86456151    -11.53654887
  H     18.76036121      7.18662031    -13.13314158
  O     11.00358711     10.70869630    -12.33148043
  H     15.27148591     12.10181375    -12.32849569
  H     17.69399513      9.14375336     -8.00921042
  O     17.09796527      6.27736027    -10.05484411
  H     14.19635131      5.18961706     -9.36248982
  H     16.40403203      8.88488015     -8.82334656
  O     11.74294627      8.49333721    -14.04693055
  H     15.37988280      6.01209283     -9.92678725
  H     15.87076911      9.72449453    -17.20814506
  O     19.28388529     10.24532986    -13.91295143
  H     17.54618646      7.30125426    -16.69102148
  H     15.22279778      8.34067826    -17.30299370
  O     18.00165973      7.19647201    -12.53700569
  H     18.05605437      8.72757756    -16.42222315
  H     12.48462675     10.14959111    -11.37976531
  O     17.37735546      8.87406243     -8.86708309
  H     15.67396998      6.66326448    -15.71282947
  H     13.42821402      8.92789214    -11.50063273
  O     15.05321103      9.28049951    -17.45255290
  H     15.39668921      5.77873933    -16.95113818
  H     15.25638460     13.27630095    -14.35922202
  O     13.33049643      9.79478064    -11.07981288
  H     19.47671203      7.53842590    -15.24114863
  H     15.03437487     14.42052331    -13.34460354
  O     14.86803477     13.49301787    -13.49396591
  H     20.86935858      7.12704270    -14.70458347
  H     13.59559838      9.84631450    -16.45803774
  O     13.05312606     10.21587432    -15.74846645
  H     16.48392332     12.04888943    -15.96553901
  H     12.55357976      9.50401435    -15.31696869
          69
 Energy    -248.30453852235334     
  O     10.29782068      9.13685464     -9.02089764
  H     10.44350450      9.92495064     -9.57313905
  H     10.67364522     11.42158809    -11.48717662
  O     15.20262910     10.66012052    -15.64365357
  H      9.39562462      9.17911232     -8.71354522
  H     12.99490779     13.79063526    -12.85021740
  O     11.30802252      7.54669084    -11.23469226
  H     14.39358679     11.12326412    -15.92358242
  H     13.82211559     12.56296166    -13.29392508
  O     14.27454559      8.31239067    -14.32469302
  H     15.83889756     10.75942156    -16.34670592
  H     16.71750592      8.84796121    -11.99464458
  O     13.15110310     12.35056600     -7.19841844
  H     12.23797924      7.45578550    -10.98013034
  H     16.97167665      9.73083439    -10.75030364
  O     12.89253961     11.97725370    -16.12264416
  H     10.87596690      7.95946597    -10.47916505
  H     15.33632373      7.54907090    -13.21099998
  O     11.63532742      8.95692115    -13.55438469
  H     14.59087120      9.05885891    -14.84652168
  H     16.33628012      6.41511860    -12.86976597
  O     14.79772617      7.94244063     -7.88946663
  H     13.36357791      8.51249409    -14.07345147
  H     12.89527919     15.83880884    -11.34350132
  O     13.59726205     10.43057059    -10.98636356
  H     13.90114561     12.24998714     -7.81272349
  H     12.63346970     14.48051236    -10.65100608
  O     12.65433049      9.53242440     -7.45351556
  H     13.50220192     12.72852267     -6.39600445
  H     14.33528196      7.66699256     -9.64513718
  O     15.68919915     13.72064715    -11.09074195
  H     12.09982311     11.42639399    -16.11163049
  H     14.71078733      7.42979160    -11.14785872
  O     11.00331538     11.23292768    -10.59852885
  H     12.85992871     12.52847151    -15.32956787
  H     15.98730733     10.93965060    -12.51030456
  O     13.02726575     13.07295010    -13.49654557
  H     11.46774154      9.85350130    -13.24155835
  H     15.37580538     11.25443286    -13.90062750
  O     16.92256835      9.74793180    -11.71711815
  H     11.44970686      8.37469422    -12.80218400
  H     11.46180605     12.19869477    -13.35862992
  O     15.91845292      7.19386351    -12.51351200
  H     14.89242988      7.33415818     -7.16163019
  H     10.40334853     11.38746682    -14.15556155
  O     13.09324043     14.90753610    -11.39573088
  H     14.03652077      8.51411577     -7.68071007
  H     14.50291386     11.36587838     -9.67383319
  O     14.00029816      7.69586013    -10.55043527
  H     14.15212694     10.70388656    -11.72600495
  H     15.36480040     12.64741218     -9.67362874
  O     15.34890696     11.51251942    -12.97112860
  H     13.73995110      9.48389917    -10.85059436
  H     10.96247298      9.60803165    -15.12000965
  O     10.66058967     11.66008361    -13.26886855
  H     11.83008021      9.36457800     -7.92598537
  H     10.00717230      9.79377675    -16.31995625
  O     15.02616501     11.94495805     -9.10099304
  H     12.71335019     10.48472272     -7.31439657
  H     16.29881906     10.58224698     -8.86364037
  O     10.63516648     10.25377036    -15.76897914
  H     14.87014546     14.21754959    -11.21323250
  H     16.20725763      9.08794883     -8.52785612
  O     16.77718967      9.74586838     -8.94234012
  H     15.73220139     13.08820704    -11.81764233
  H     11.39627181     12.83845083     -9.78006960
  O     11.80621963     13.61957411     -9.38417242
  H     11.92911764     10.95743394    -10.70163404
  H     12.20278808     13.30863946     -8.56235829
          69
 Energy    -248.30430296381468     
  O     12.18695695      7.92408051    -15.20031890
  H     11.79990648      7.44606891    -14.44376708
  H     19.39641507      8.20686075    -14.15197463
  O     16.75524217      6.23606520    -12.73828255
  H     11.46219884      8.14873970    -15.77949566
  H     16.25192820     12.15095816    -13.17432613
  O     17.47849403      9.87496634    -10.69700685
  H     16.56085986      7.18681098    -12.75184587
  H     17.03072075     11.52534625    -14.35267640
  O     16.91360167     10.02411623    -15.38770571
  H     17.61687169      6.12885931    -12.31739131
  H     15.16450268      9.05692171    -12.95255675
  O     13.72466135      5.30735399    -15.43708147
  H     18.22113650     10.33660737    -11.10134532
  H     16.48359591      9.29526914    -13.71520049
  O     13.61660002      8.99193107     -8.67707782
  H     16.97384197      9.50484614    -11.43742074
  H     11.64481773      5.70008890    -13.02259380
  O     14.51301215      5.60291304    -11.25634152
  H     16.09630669      9.66127132    -15.76425234
  H     11.58818299      7.03991045    -12.26720512
  O     14.44137674     12.04340245    -12.45131935
  H     17.61332727      9.40960897    -15.63850256
  H     17.73841313      8.32418598     -9.70842045
  O     15.23108953      6.56985731     -8.84122863
  H     13.45663618      4.85289611    -14.62767007
  H     18.36962155      6.96051627    -10.00181744
  O     18.58034811      7.78919304    -15.84546048
  H     13.16440314      6.08671354    -15.49148253
  H     12.71119781      3.34714997    -12.64031361
  O     16.33524997      6.20769245    -15.45653307
  H     14.13480620      9.72308251     -9.05836884
  H     13.45093873      4.65662473    -12.27905541
  O     19.73896133      8.35194531    -13.26249048
  H     13.24735562      9.31441918     -7.85954405
  H     20.01417879     11.73979432    -12.34606054
  O     17.11647503     12.12845792    -13.59941214
  H     14.75086924      5.80732553    -10.33795023
  H     18.57098598     11.51781730    -12.85556317
  O     16.11440323      8.89264887    -12.91892365
  H     15.30640734      5.74989524    -11.78920980
  H     20.06261789      5.73559367    -11.51993456
  O     11.26394571      6.58716807    -13.05784823
  H     13.82541417     12.74870312    -12.63777700
  H     19.51793174      7.04762382    -12.13440548
  O     17.80876553      7.42192911     -9.36865923
  H     14.00949976     11.21877756    -12.72725296
  H     15.96860102     10.64789972    -10.00796605
  O     12.85223429      4.24546258    -12.92726890
  H     16.15926493      6.83153610     -8.94606144
  H     14.81940483     11.43619501    -10.65335313
  O     19.33846526     11.07530899    -12.45074043
  H     14.74227479      7.37593413     -8.64558005
  H     12.95381558      8.21901908    -10.19901008
  O     19.28906835      6.29067128    -11.56511385
  H     17.83001825      7.17492828    -15.78212192
  H     13.40834142      7.07431712    -11.14362227
  O     15.06297727     10.95347290     -9.85630360
  H     19.08272746      7.52434602    -16.61246980
  H     13.00231766      9.14600388    -13.86765876
  O     12.79536804      7.81940314    -11.06355862
  H     16.51939661      6.13198304    -14.50796139
  H     13.13108818      9.01254683    -12.32751236
  O     13.38721267      9.55757156    -13.08833646
  H     15.48914642      5.75650423    -15.58730533
  H     13.90963557      8.35204960    -15.95966357
  O     14.81757169      8.51945962    -16.22868090
  H     19.62768935      9.28756735    -13.05475256
  H     15.31215675      7.72305960    -15.98969009
          69
 Energy    -248.30429590922773     
  O     15.91505700     10.74749670    -16.88107990
  H     15.06919198     10.92425476    -16.45391818
  H     21.01783050     10.17907380    -17.59539742
  O     14.72869231      6.23750896    -13.38003844
  H     16.34880455     10.07862531    -16.32428572
  H     17.87804243      8.50310059    -15.28942250
  O     18.82966477     13.27318326    -11.43930207
  H     15.11688977      5.91300602    -12.55534213
  H     16.58097262      8.69428544    -14.45877156
  O     19.69758280      8.04844387    -15.10722266
  H     15.22882599      5.81995880    -14.09796262
  H     13.46865872      9.87564616    -15.17604280
  O     15.20732360      7.34591983    -17.09427263
  H     19.30809255     12.52641310    -11.03576141
  H     12.69231659     11.19153764    -15.39828463
  O     17.50074051     10.11568749     -9.10779730
  H     19.33275828     14.06032650    -11.25142281
  H     17.65353736      8.62908692    -10.18995007
  O     15.86442403      8.66083088    -12.79870878
  H     20.01081857      8.62269529    -15.81960231
  H     18.42367879      8.36139852    -11.51077249
  O     18.08874843     11.69949217    -13.64427654
  H     19.51980612      7.18130872    -15.49513955
  H     13.85052431      7.82258669    -15.91449248
  O     18.84714215      5.80831752    -16.55923215
  H     15.84751019      7.72605532    -16.47001186
  H     13.59311302      7.46787085    -14.44641208
  O     16.16792946      5.24196161    -15.54830931
  H     15.36806044      7.79313198    -17.93073769
  H     19.20846354     10.65989031     -9.84335143
  O     16.23117666      5.63287124    -11.09223582
  H     17.01731004     10.80080104     -9.60339800
  H     19.93211904     10.38021516    -11.17374503
  O     20.22047359      9.77998310    -17.25839773
  H     17.20807719     10.17396544     -8.20233111
  H     19.62735032      8.84241487    -13.46127706
  O     16.94035078      8.71112643    -15.35573338
  H     15.37970416      7.84636246    -12.99289613
  H     18.90991321     10.14629600    -13.04089546
  O     13.57080956     10.83868419    -15.28353552
  H     16.49842440      8.45438676    -12.10169445
  H     15.87464258     11.89775788    -11.40263237
  O     17.77630259      7.98281439    -10.89812705
  H     17.13257956     11.59860416    -13.53596582
  H     17.10164934     12.64373493    -10.83916191
  O     13.37796086      8.11908094    -15.12390931
  H     18.37742995     12.34790773    -12.98970381
  H     19.14971739      8.49187004    -18.14883353
  O     19.90387128     10.99167809    -10.42529193
  H     18.68904819      6.44173247    -17.28250151
  H     17.75507040      8.20009512    -18.74034230
  O     19.38238042      9.37584001    -12.69421133
  H     19.30682012      5.06624348    -16.94437375
  H     14.70774173     11.33374697    -13.82116740
  O     16.35367613     12.08863961    -10.58577613
  H     17.10320321      5.34837362    -15.75329090
  H     15.47862037     10.35204991    -12.92432859
  O     18.56377427      7.77723752    -18.42969677
  H     15.71241666      5.75989566    -16.22656793
  H     18.46650439     11.76367257    -15.44008139
  O     15.36603449     11.29717704    -13.11968155
  H     16.68525589      4.86363335    -10.75600563
  H     17.61912878     11.57862979    -16.70705368
  O     18.52749517     11.69694696    -16.40347119
  H     16.83650763      6.37754089    -10.95688170
  H     15.81644700      9.53821593    -19.91466330
  O     16.12423672      9.13333701    -19.10808710
  H     19.63732200     10.50872513    -16.97861203
  H     16.01850983      9.79419352    -18.40286620
          69
 Energy    -248.30412570037103     
  O     16.75842734     10.26072643    -11.15122680
  H     16.81488545      9.30180673    -11.04615372
  H     12.44690481     10.89563511     -8.46653690
  O     15.95381496      5.51065618     -7.67658359
  H     16.43294104     10.60940844    -10.31347909
  H     14.46780351     11.80120966    -13.78075402
  O     12.46360210      5.08358938    -11.74389375
  H     16.72836186      5.32431838     -8.22058573
  H     13.13979970     11.43320205    -14.46424543
  O     15.77873036      4.09447684    -11.05640634
  H     15.91247902      6.47438821     -7.61817817
  H     17.24371058      4.64230272    -10.24750585
  O     16.65851092      7.47116237    -10.73594037
  H     12.30330313      4.18643448    -12.02911622
  H     18.73515536      4.63417484     -9.83168529
  O     15.76874393     11.08409345     -8.59518018
  H     12.82699513      5.02414143    -10.84465668
  H     13.41520097      6.07751719     -9.23935593
  O      9.69108743      9.14615853    -10.21679153
  H     15.08408208      4.32305618    -10.42490071
  H     14.44403555      5.11444958     -8.64784245
  O     15.74384423      8.30520167     -8.23044393
  H     15.63332939      4.69505327    -11.80013374
  H     11.28785772     11.66244531    -11.65351130
  O     13.12047733      9.06876756    -11.54845949
  H     16.03107321      7.07608503    -11.35474166
  H     12.68928635     11.95794216    -12.27242354
  O     10.95000506      7.45991128    -12.12890265
  H     17.23725159      6.75765371    -10.43766115
  H     10.94354135      9.54964062    -14.54232050
  O     12.58253813      9.81633752    -15.43294205
  H     16.13380961     11.80521571     -8.08954685
  H     10.33651385      8.61059435    -13.47276718
  O     13.11478996     11.48343320     -8.83713214
  H     14.81247982     11.25345243     -8.67363677
  H      8.81285452     11.81655728    -12.40166718
  O     13.53700869     12.05194722    -13.84023511
  H      9.52163782      9.90560750    -10.78760309
  H      9.70563170     10.63539463    -12.85676034
  O     17.92949705      5.13913178     -9.76574740
  H      9.99319263      8.44000710    -10.80230104
  H     10.63955673      9.48485950     -7.22608072
  O     13.73467935      5.16472504     -9.30488415
  H     16.07245123      8.01615543     -9.09574338
  H     10.59901092      9.40730869     -8.77184932
  O     12.23084949     11.71252630    -11.45466247
  H     15.82867595      9.26667799     -8.21295787
  H     14.85686508      7.00354443    -13.24266036
  O     10.16392962      9.40826047    -13.99173447
  H     12.82436737      9.98414155    -11.45662182
  H     14.04965778      5.94319997    -12.44665751
  O      9.53165647     11.25532351    -12.12481925
  H     13.21505443      8.68817634    -10.66552975
  H     16.97870334     11.30660411    -14.07838357
  O     11.18784512      9.52785593     -8.00460115
  H     11.69637716      8.05794062    -11.96549114
  H     16.40927611     10.77880516    -12.74080572
  O     14.94405651      6.23101887    -12.66886696
  H     11.30584765      6.57133648    -12.02412827
  H     12.48323559      8.36261656     -8.58335954
  O     16.18506101     10.97256534    -13.66993691
  H     12.72791136      9.65002773    -16.36127470
  H     14.01862040      8.06246660     -8.65381912
  O     13.15919473      7.85550941     -9.04942346
  H     13.26837538      9.32604182    -14.95031093
  H     15.21135816      9.40469213    -13.88047475
  O     14.54399811      8.70775518    -13.84058605
  H     12.81112646     11.70434584     -9.72904968
  H     14.06417557      8.83809581    -13.00419919
          69
 Energy    -248.30411339330055     
  O     -6.33617907      3.03972417     -1.50363719
  H     -5.65971351      3.57778379     -1.93548174
  H     -6.14713539      0.59779512      1.61484566
  O     -2.36329822      2.88431786     -3.59272778
  H     -6.42419424      2.23279721     -2.02259160
  H     -4.85328266     -0.45759029      2.94383572
  O     -5.67227519      2.20057731      0.99880282
  H     -2.78340484      2.01919749     -3.49244253
  H     -4.24666015     -0.88917920      4.30073614
  O     -2.74575859     -1.39890560      1.16784147
  H     -1.44089844      2.76265562     -3.34086160
  H     -0.82293327      1.97752190      2.53828745
  O     -0.28933283     -0.48685143     -1.87377536
  H     -5.25905937      2.88777637      1.53466993
  H     -0.66257311      2.39745248      1.07812283
  O     -3.65749033      0.45493135     -2.95298617
  H     -5.98632635      2.59781789      0.17230887
  H     -2.31912279      2.18889641     -0.27008317
  O     -3.99051018     -2.65014484     -0.95772600
  H     -1.78906014     -1.25255781      1.19018912
  H     -1.09292737      2.73209038     -1.05998464
  O     -2.37006497     -2.03413162     -3.01030509
  H     -3.10415640     -1.17934378      2.03680128
  H     -5.41048708      0.47835698     -3.01050337
  O      0.13336772      2.20322259     -2.30839586
  H     -0.40104621     -0.54425339     -0.91519760
  H     -6.76181890      0.48090527     -3.76368622
  O     -0.12876587     -0.64890678      0.97830679
  H     -0.93855316     -1.07677909     -2.27260087
  H     -3.03308322      2.67296976      3.09642948
  O      2.24915515     -0.53233894     -0.46940338
  H     -3.21186775     -0.38425021     -3.11998988
  H     -3.00089904      1.16664617      3.43691085
  O     -6.18899102     -0.34521943      1.83887719
  H     -3.59775712      0.61874871     -1.99723089
  H     -7.40983387     -1.90370102     -0.94798279
  O     -4.03228631     -0.47616832      3.46833216
  H     -3.55224810     -2.34066307     -0.15124678
  H     -6.56732735     -0.74296852     -1.51070803
  O     -0.17252060      2.01207773      1.82247319
  H     -4.88999395     -2.30613400     -0.92136512
  H     -3.29815464      0.10341147      0.24802093
  O     -1.64330447      2.88237224     -0.28199056
  H     -2.94983288     -2.33028697     -2.28421762
  H     -4.29186159      1.31020994      0.19393569
  O     -6.37622862      0.48684677     -2.89076712
  H     -2.25622042     -2.77678114     -3.59655404
  H     -2.61459466      4.36578522     -0.03404350
  O     -2.44883609      1.95367393      3.36489202
  H      0.85638204      2.36784818     -1.69200167
  H     -3.74437138      5.04286149     -0.80395800
  O     -6.58774348     -1.43148978     -0.82931567
  H     -0.02393224      1.24599702     -2.27439814
  H     -3.55106655      4.03802581     -2.97120475
  O     -3.54392727      0.89137814     -0.25251957
  H     -0.15710871      0.24540369      1.34674355
  H     -4.36816119      5.31031250     -3.27516508
  O     -3.32079027      5.02334904      0.06058875
  H      0.77975879     -0.79501837      0.68364499
  H     -3.88896392      4.50448443      1.61593751
  O     -4.26045202      4.61188418     -2.63419417
  H      1.65276113     -0.64402102     -1.21968449
  H     -4.45095702      4.79578387      3.02705386
  O     -4.19693232      4.08764808      2.44105470
  H      2.30973182      0.42300417     -0.33773686
  H      2.58513942      2.94060993      0.27428120
  O      1.92731931      2.30589526     -0.00102474
  H     -6.32673117     -0.79840683      1.00098129
  H      1.29249357      2.23805687      0.73062052
          69
 Energy    -248.30408582241967     
  O     10.38040600     10.37523654    -10.29884539
  H     10.70246239      9.61687186    -10.81967589
  H     13.46173149     11.37739902     -9.49749850
  O     14.36816860     10.69484005    -12.88708435
  H      9.69004291     10.04528451     -9.72999792
  H     10.94150339     11.49352395    -17.19265889
  O     16.41026886     12.58800779    -13.30354363
  H     15.18751945     11.19187247    -12.99541970
  H      9.64013631     10.76030899    -17.59309272
  O     16.06653431      6.99502182    -12.50749295
  H     13.69048074     11.34211732    -12.64889874
  H     13.56874251     13.49881102    -13.62111591
  O     10.22350339     11.64318484    -12.83646737
  H     16.90087592     12.33800103    -14.09691277
  H     13.43669575     14.25552531    -14.95680679
  O     11.93671216     14.80498589    -15.95414771
  H     15.70770399     13.18064373    -13.60299881
  H     17.85255620     12.23772982    -16.50303629
  O     14.66437511     11.75154546    -16.29476418
  H     15.89685617      6.96631716    -13.45680495
  H     16.43399952     11.74995885    -16.12302626
  O     14.94754293     10.18576633     -9.36472660
  H     16.84597383      7.55411993    -12.39524249
  H     17.98809575      9.04078642    -14.13355888
  O     12.67408269     12.79190126    -12.27242589
  H     10.52033318     10.91192957    -13.39899482
  H     17.68546198      9.96671423    -15.34262432
  O     13.80624312      9.35599437    -15.18860819
  H     10.11777586     11.28774090    -11.94592903
  H     16.95233008     11.72797927    -11.67262010
  O     18.24553243      8.85876219    -12.29499532
  H     11.17571670     14.32032485    -15.58557765
  H     16.39853391     10.88344796    -10.48574592
  O     12.71153998     11.95059076     -9.69577195
  H     11.63252068     15.68882792    -16.14220269
  H     12.03782469      9.46526587    -14.82324471
  O     10.16709417     11.01890131    -16.84151740
  H     14.34020504     10.88730955    -16.00230171
  H     10.69253837      9.99117518    -15.34845949
  O     14.06338662     13.76279478    -14.41308424
  H     14.42224580     12.40241694    -15.61865213
  H     16.45835039      7.90810885    -15.32405739
  O     17.36535406     11.75248725    -15.84184886
  H     15.18315290      9.77042367     -8.53826268
  H     15.89514953      6.63059132    -15.99754063
  O     17.72725137      9.04480205    -15.06409050
  H     14.63391644      9.47829513     -9.95304585
  H     12.18419744     13.37937394    -17.21911597
  O     17.16519357     11.01681401    -11.05534246
  H     12.74927813     12.66420052    -11.31477826
  H     13.16744125     12.21020220    -17.36852628
  O     11.11828428      9.62058065    -14.56472322
  H     11.78805405     12.49876104    -12.52260804
  H     11.25136002      8.64897813    -12.84838480
  O     15.69485363      7.30168202    -15.35070162
  H     14.04069429      9.78029266    -14.34744639
  H     12.27931130      8.30824913    -11.72902694
  O     12.29692038     12.52098023    -17.64679048
  H     14.37326250      8.58140995    -15.28649041
  H      9.81255915     12.54334850    -15.72021828
  O     11.33811785      8.43392597    -11.91271935
  H     19.08691025      8.66946900    -11.88746365
  H      9.86121027     12.84465946    -14.21823332
  O      9.87101790     13.26890079    -15.08619128
  H     17.87690275      9.62781743    -11.82687984
  H     14.19516128      9.25995324    -11.87322617
  O     14.09226681      8.46609724    -11.32493065
  H     11.93385866     11.38206297     -9.77096347
  H     14.73375195      7.82355619    -11.66071634
          69
 Energy    -248.30396306570680     
  O     16.80801127      9.62457753    -15.08300171
  H     17.45195673      8.93588026    -14.86515576
  H     14.73496889     12.56574393    -13.10679244
  O     14.24713118      7.88797750     -9.01291027
  H     16.00025144      9.19960115    -15.40414941
  H     13.70803374     11.98736442    -11.06897898
  O     17.81437632     12.09874227    -15.54567759
  H     14.23378715      7.43931728     -8.17225510
  H     13.16460952     12.64913786     -9.78141941
  O     12.28992522      9.33532864    -10.51537127
  H     14.77366549      8.69902971     -8.89348438
  H     15.34889898      8.21727959    -11.89793674
  O     14.48991725      8.36337033    -15.82593794
  H     17.86637556     12.27266679    -16.48174857
  H     14.86578313      7.37393056    -10.68862866
  O     18.61853699      7.71548093    -14.27438356
  H     17.43039405     11.20999464    -15.44505070
  H     19.06926643      5.74793034    -16.76411744
  O     19.91190836      9.35619275    -12.33916024
  H     12.84243528      8.74644607     -9.98774251
  H     18.59881655      6.91878162    -15.89328112
  O     17.03419530      5.88294119    -13.11640059
  H     12.62965469     10.22303594    -10.35140464
  H     18.34820446     13.59440374    -10.63531035
  O     11.37631327      8.64847641    -12.97816015
  H     14.84192478      7.73321118    -16.46733988
  H     17.99587572     12.15776420    -11.08435374
  O     16.25288042     13.37916203    -13.52373886
  H     14.13889264      7.83732313    -15.09189183
  H     16.72380820      6.43384663    -17.18701736
  O     12.85057517     10.42899410    -14.66625103
  H     19.11879889      8.19862681    -13.60852975
  H     15.67083999      6.07881118    -18.26125722
  O     14.01895101     12.00820375    -12.76638142
  H     18.09113204      7.03472363    -13.82046997
  H     16.15580091      9.78658393    -13.40504015
  O     13.58232867     11.85806801    -10.11204219
  H     19.90368773     10.22271188    -12.78505300
  H     15.10368248     10.54891606    -12.56137169
  O     15.15315861      7.31418232    -11.60629503
  H     20.81080108      9.19921621    -12.06037500
  H     19.16956725     11.94277704    -14.24506204
  O     18.44112217      6.46645207    -16.73705943
  H     16.45508395      5.42995196    -13.74539388
  H     19.30199029     12.37903691    -12.77649694
  O     18.15541705     13.06187862    -11.40274165
  H     16.44881778      6.29286047    -12.46660697
  H     17.03165426     10.21185488    -11.37313059
  O     15.76906334      6.39422672    -17.36651074
  H     11.68435996      8.89269307    -12.08725052
  H     18.52755985      9.94457328    -11.11370234
  O     15.76618837      9.84841138    -12.52326263
  H     10.42855402      8.55834895    -12.92475985
  H     14.00354730      6.94383817    -12.95512411
  O     19.70868823     11.82320547    -13.45300002
  H     16.74734041     13.03879600    -14.27917224
  H     12.62487960      7.35832507    -13.51320653
  O     17.75945185     10.40684806    -10.75983208
  H     16.87164292     13.37710236    -12.78307342
  H     16.42420327     10.30230936     -9.40804887
  O     13.42433126      6.86291831    -13.72729927
  H     13.37707967      9.83601860    -15.21505178
  H     14.98524131     10.87150145     -9.28768010
  O     15.60363739     10.23510272     -8.90463076
  H     12.27188908      9.85801132    -14.14408228
  H     15.30020435      5.30962965    -15.80127097
  O     15.12700423      4.92336969    -14.93547891
  H     13.56772289     11.57230292    -13.50436050
  H     14.40126687      5.43946844    -14.55928181
          69
 Energy    -248.30396003069853     
  O      0.84050155      4.76296935      0.29148413
  H      1.01318895      5.69594709      0.11747289
  H     -0.50613526      1.82210211      3.65072654
  O      1.67998312      0.87949856      1.60363524
  H      1.44203148      4.24060692     -0.26509586
  H      4.27910744      5.75242545      0.36210306
  O      3.43199841      5.27150367     -2.91456973
  H      1.82301885      1.79282364      1.88894019
  H      3.32118406      6.72923954     -0.35355967
  O      1.65275295      2.64685345     -4.46563113
  H      1.08303943      0.89872690      0.84306270
  H      5.09626159      2.05917110     -3.25436184
  O      0.93393857      6.42852516     -2.93707185
  H      3.91470225      5.58932578     -2.13599017
  H      5.40757379      1.94231834     -1.73836533
  O      1.70657697      0.76354687     -2.46088867
  H      3.99468700      4.71423376     -3.46256903
  H      0.62241695      0.18441209      2.87116411
  O      4.20975305      0.00092244      0.76145149
  H      1.62281844      1.85922714     -3.90174449
  H      0.28471596     -0.68541737      4.10385049
  O      3.99241231     -0.78263246     -1.99542637
  H      0.91069239      3.18975824     -4.17915403
  H     -0.93711253      3.80507238     -2.46409235
  O     -2.02439854     -0.01679455      1.38511757
  H      0.32789045      5.69884929     -3.10625700
  H     -1.44395617      4.05868387     -3.89503993
  O      1.92602362      3.53821419      2.47217398
  H      1.82418336      6.07352127     -3.08525494
  H      3.37120033      3.00948467     -4.59993965
  O     -0.19327890      0.81979452     -0.48670492
  H      2.42011198      0.13510405     -2.29551911
  H      4.63863678      3.21371792     -5.46357221
  O     -0.64233725      2.75957402      3.46240371
  H      1.00229915      0.60637988     -1.81644235
  H      2.19826433      2.40860725     -1.74010656
  O      4.15479970      6.25167744     -0.45236504
  H      4.10108903     -0.41641777     -0.10174069
  H      2.71315275      3.87328426     -1.95105886
  O      5.41039735      1.45418683     -2.57135013
  H      3.31970093      0.18618038      1.09233127
  H      5.32887593      4.65466138      2.39993696
  O     -0.08161345     -0.04190707      3.50310693
  H      4.56148446     -0.03360627     -2.25209963
  H      4.75929057      3.80405862      1.24180595
  O     -0.65650148      4.06954905     -3.35426785
  H      4.36477277     -1.56305653     -2.39673818
  H      3.97680535      2.79919978     -0.42149887
  O      4.32782681      3.19194339     -4.56217593
  H     -1.48253563     -0.15958539      2.17155433
  H      4.71169036      1.66233614      0.34624204
  O      2.44336935      3.22433938     -1.28648656
  H     -2.40277221      0.86582506      1.48657826
  H      1.23755448      7.12295514     -1.37802671
  O      4.54791907      4.51844526      1.86885525
  H      1.46678904      4.02517761      1.77007946
  H      1.18326764      8.25303491     -0.31936909
  O      4.81549791      2.56342838      0.00295870
  H      2.83289512      3.86421035      2.45444406
  H     -1.91220487      3.22363083      0.00197811
  O      1.48650823      7.36161757     -0.46566858
  H     -0.84869000      0.36422917      0.06054956
  H     -0.59164401      3.95208271     -0.33307597
  O     -1.29316330      3.40243157     -0.71709984
  H     -0.54276517      1.70638723     -0.64601045
  H     -3.46189843      3.14720656      2.06798505
  O     -2.68104082      2.79005524      1.65287527
  H      0.23530803      3.11964727      3.28483321
  H     -1.96302855      2.85551130      2.30800195
          69
 Energy    -248.30393280135871     
  O     20.77321164     12.39066921    -18.59600935
  H     21.35932504     12.04429109    -19.26395726
  H     19.01128339     18.06685681    -16.69096992
  O     17.50490390     16.76879400    -13.78642757
  H     21.31911238     12.94288512    -18.00750469
  H     15.18367845     11.44088181    -13.50398362
  O     22.43260918     13.27394844    -14.12058761
  H     18.06678232     16.20311084    -14.33356685
  H     14.84472505     12.88897046    -13.89984160
  O     15.91191873     14.44476416    -13.66450878
  H     17.39843073     17.57329306    -14.30671030
  H     18.62804280     12.80164322    -13.31564043
  O     16.70517918     12.23845135    -17.78145061
  H     22.09774963     14.16076863    -13.89968528
  H     17.55805321     12.05273325    -12.49401323
  O     16.64387901     10.44256009    -12.74698722
  H     23.12023229     13.07210861    -13.49203138
  H     17.84395324      9.93861210    -15.83489921
  O     14.74229586     10.73442357    -16.47650919
  H     16.21601825     15.35817443    -13.59334705
  H     16.30624064      9.84400676    -15.76789716
  O     22.28172671     13.88830951    -16.93161869
  H     16.60756614     13.90510199    -13.25865816
  H     16.83901642     16.97805192    -18.35173828
  O     22.19206495     16.60596114    -16.30982244
  H     17.49990023     11.79765943    -17.44653699
  H     16.16735027     16.21873843    -17.19538934
  O     19.75887557     12.71753050    -14.72664937
  H     15.95312351     11.71490657    -17.47771358
  H     20.60618343     15.65239475    -12.96312225
  O     18.47094485     13.92669322    -19.24791448
  H     16.88123326     10.09634216    -13.62592569
  H     20.51867180     15.55830182    -14.48707933
  O     19.66413500     17.52156641    -17.14794326
  H     16.55878817      9.68950136    -12.16833674
  H     17.09229234     19.63669115    -15.88055196
  O     14.59959549     11.96966993    -14.06245774
  H     14.61292717     11.21525936    -15.63918102
  H     16.91088940     18.21120449    -16.45961619
  O     17.98163327     12.91329872    -12.60360061
  H     13.90163286     10.34723557    -16.70477433
  H     18.77479477     14.56663202    -11.92237317
  O     17.11454426      9.60928916    -15.29508435
  H     22.30257525     14.85263360    -16.85447739
  H     18.53721794     16.04414096    -12.28514081
  O     16.23672127     17.09213420    -17.60638578
  H     22.48318337     13.55734623    -16.04995475
  H     19.65917025     11.34775115    -17.47909775
  O     21.15008616     15.67024533    -13.76477095
  H     22.07042687     16.56148215    -15.35495994
  H     19.28145407     11.56900061    -16.00549409
  O     17.43483607     18.74801295    -15.83644253
  H     21.42199499     17.07729764    -16.65543017
  H     18.15855201     14.98229453    -16.01181226
  O     19.17004408     15.44583601    -11.86772305
  H     20.69084371     12.74658711    -14.47524873
  H     19.34164192     15.95836667    -16.25822605
  O     19.03752493     11.06552630    -16.79699714
  H     19.55612358     13.56606738    -15.14666928
  H     18.40112612     15.64126012    -19.40555434
  O     19.03661829     15.23819226    -15.69083643
  H     17.75815823     13.37213530    -18.90903768
  H     18.43157316     16.84014843    -20.38195645
  O     18.36040892     16.61341793    -19.45871166
  H     19.28902151     13.44488196    -19.07369197
  H     16.14836487     14.44800691    -15.47911506
  O     16.46236412     14.59912661    -16.38024479
  H     19.28833929     17.28405798    -18.00713943
  H     16.46949751     13.75789031    -16.85489230
          69
 Energy    -248.30391496962898     
  O     -4.07328223      4.04009546      0.59527119
  H     -4.31029665      3.31364823     -0.01281400
  H     -2.34239322      2.61685221     -3.63553397
  O     -0.87944114      0.58731120      3.19056482
  H     -4.85323791      4.57802199      0.69779798
  H     -0.15946878      4.36047529     -3.74331959
  O      0.33387579      5.17819725      0.70791236
  H     -1.12369666      0.24396897      4.04834507
  H     -1.15344918      4.03398577     -2.61149106
  O      2.32868543      3.21808883      0.77581016
  H     -1.49560403      1.31369962      3.00263034
  H      0.68743126      1.84870903      3.19877185
  O     -2.90213314     -0.24826467     -0.61655916
  H      0.02380479      5.23752563      1.61826077
  H      1.70137886      2.78183725      2.47427372
  O      0.14071840     -1.00126519     -3.20852250
  H      1.00339454      4.47753679      0.69806097
  H      0.38629699      1.26310916     -0.27499346
  O     -2.53327100     -0.69770604     -3.37645037
  H      3.00877837      3.62648916      0.22638214
  H      1.35051541      0.04960304     -0.43923437
  O      1.04862063     -1.76349475     -0.57942577
  H      2.05699840      2.40153323      0.32936028
  H     -1.79104713     -1.14713314      0.56420500
  O     -2.29290815      2.83918970      2.40442273
  H     -2.32356668      0.52102560     -0.49964596
  H     -0.95718005     -0.77141857      1.81198757
  O      4.02657856      4.47745109     -1.07085619
  H     -2.83553118     -0.49628106     -1.54845848
  H     -0.41682968      5.29556461      4.17962702
  O      1.17074749      5.67456194     -3.95526068
  H      0.55267971     -0.13602844     -3.33893852
  H      0.16130375      4.05615872      3.44774384
  O     -3.14470484      2.10396075     -3.48390066
  H      0.47258312     -1.34009213     -2.36884621
  H     -2.57449379      4.51262594     -0.49731534
  O     -0.75297443      3.67312367     -3.41670323
  H     -2.89845446     -1.32783396     -3.99172196
  H     -1.04684283      4.82230307     -0.39640186
  O      1.18434523      2.66961398      3.28449008
  H     -1.57046277     -0.84205252     -3.36433230
  H     -4.15323009      2.17017812     -1.98220148
  O      1.30871920      1.01306931     -0.44390355
  H      1.55937966     -2.53446271     -0.34884576
  H     -4.24483731      1.16835560     -0.82470220
  O     -1.03612461     -1.42103736      1.10450604
  H      0.29766579     -1.72516535      0.04038482
  H      1.27301202      6.11848287     -0.65308169
  O     -0.49862713      4.77247535      3.38717881
  H     -1.76658976      3.56469223      2.76687252
  H      2.66536053      5.82939278     -1.23718655
  O     -1.74617457      4.51254280     -0.99098427
  H     -2.99733244      3.23601420      1.87465327
  H      2.53650034      4.32378822     -3.79463009
  O     -4.54726075      2.03907740     -1.10576010
  H      3.76160871      4.11595219     -1.93635713
  H      2.55440084      2.82676125     -3.44910984
  O      1.85319522      6.32728173     -1.39546537
  H      4.96747482      4.62525155     -1.11120534
  H      1.26022713      1.46224038     -2.21438694
  O      3.10875887      3.61847945     -3.46821255
  H      1.35953756      5.97927042     -3.04970415
  H      0.44293176      2.27868624     -3.25959226
  O      1.15167839      1.62681819     -3.16192452
  H      1.17601587      6.44808879     -4.51260902
  H     -1.49750260      2.16550970      0.84923053
  O     -1.23101017      1.93017061     -0.04798251
  H     -2.89686646      1.17395764     -3.56025217
  H     -1.40146442      2.71998810     -0.57568980
          69
 Energy    -248.30363435080758     
  O     14.70256458      3.70402376    -10.48705074
  H     14.82859326      2.84083466    -10.07364609
  H     16.74068423      4.59278524    -15.41089026
  O     12.48605373      3.54359365    -12.17001355
  H     13.94622898      3.61259165    -11.08590692
  H     15.10208400      9.55523809    -10.53673660
  O     16.97062594      3.64332325    -12.16275467
  H     11.98993811      4.30543625    -11.84846064
  H     14.12495625      8.38210016    -10.32031014
  O     11.47910959      7.32274764    -13.70560900
  H     12.85461821      3.80111429    -13.02879589
  H     14.33290026      7.41989000    -13.21782907
  O     13.36349162      0.85007226    -12.13487744
  H     17.31423634      4.53111609    -12.31217268
  H     14.52396943      6.48483998    -12.00165276
  O     15.05894701      1.01178195     -9.80480294
  H     16.21352445      3.73231638    -11.56709593
  H     14.32919276      5.43664212    -10.11755831
  O     17.49576364      9.26354542    -13.08699817
  H     11.67712143      6.94959168    -14.57147912
  H     13.11633421      6.32757670    -10.46941432
  O     16.94907813      9.84757589    -10.50196161
  H     12.08504365      8.07204815    -13.60331069
  H     14.55648130      0.47321383    -13.37266912
  O     13.76938215      4.45209629    -14.42386497
  H     13.80203236      0.81398864    -11.27585155
  H     15.12748614     -0.52084307    -14.41165029
  O     15.60542310      9.84346667    -15.10776749
  H     12.89481642      1.69405636    -12.16033568
  H     11.44639610      6.50168662    -12.17886330
  O     15.09249371      7.47434490    -16.25405601
  H     15.81079469      0.88166602    -10.41092400
  H     10.63057366      6.25263305    -10.89027029
  O     16.95839581      5.52786551    -15.50848724
  H     15.21814561      0.46175782     -9.04298966
  H     16.48850951      6.44405440    -12.96556193
  O     14.18447801      9.27906443    -10.66460063
  H     17.62642991      8.30990820    -13.13127093
  H     17.48301336      6.59055651    -11.80338952
  O     14.70091120      6.56906342    -12.94638439
  H     16.90046833      9.49421967    -13.81161895
  H     16.40602138      3.16286646    -13.81352659
  O     14.04766467      6.36039122    -10.20539596
  H     17.48352598     10.56992935    -10.18446316
  H     15.82329799      1.98889392    -14.62427073
  O     15.30555361      0.30635131    -13.97221810
  H     17.17239018      9.72047362    -11.44206961
  H     17.21940654      1.78472479    -11.84854724
  O     11.46239995      6.05454244    -11.31304432
  H     14.51539501      3.86989816    -14.61729012
  H     16.56579963      0.55792270    -12.51214014
  O     17.43350683      6.37793786    -12.74863901
  H     14.12340962      5.21662745    -13.94098056
  H     12.07496803      5.73874122    -16.87832064
  O     16.04862168      2.92518740    -14.68279585
  H     15.44007277      9.00462186    -15.57784257
  H     12.90138615      5.43264638    -15.60717201
  O     16.99733400      0.85524404    -11.70149137
  H     15.67848431     10.52222156    -15.77296772
  H     17.04776757      8.01200281    -10.09902083
  O     12.50359252      6.14925148    -16.13130161
  H     14.21867681      7.07300160    -16.29526574
  H     16.07574438      6.83492944     -9.92844076
  O     16.99606006      7.04605888    -10.10996043
  H     15.72802347      6.76642020    -16.07361323
  H     14.20615821      9.52425631    -13.90079290
  O     13.54989273      9.10244072    -13.33436612
  H     17.39774835      5.78310718    -14.69018932
  H     13.75546473      9.30786850    -12.40952783
          69
 Ord_Energy   -248.303482    
 O   -5.57328653      0.928419650       1.73455811    
 H   -6.43469334       1.16332519       2.10497808    
 H   -5.37289810       2.55101491E-02   2.01601386    
 O   -5.14157152       3.15025496       8.11502838    
 H   -5.55623913       2.91444325       8.94063759    
 H   -5.11511898       2.34317374       7.57231331    
 O   -2.48111033     -0.194389448       6.73392248    
 H   -2.39768624     -0.544244528       5.83402634    
 H   -1.83608305      0.520186722       6.78731918    
 O   -1.15414441       6.26538944       1.33697844    
 H   -1.92362905       6.62396526      0.878340960    
 H  -0.746082425       5.64455700      0.719000399    
 O   -6.72597504     -0.351113200       4.81548214    
 H   -6.20234823       4.28335890E-02   5.52692270    
 H   -7.19295454      0.375882238       4.38695097    
 O   -1.71132076       2.26365757       3.85523438    
 H   -2.67605782       2.26111722       3.96204424    
 H   -1.31843174       2.17549992       4.73362494    
 O   -2.18818259       5.06965637       3.54687643    
 H   -1.89303041       4.15510941       3.61397505    
 H   -1.71339560       5.49500322       2.81518698    
 O   -4.07763577       2.87639213      0.446934849    
 H   -4.63581657       2.14461970      0.739202499    
 H   -4.29268026       3.63307858       1.00921690    
 O   -4.44064760       2.23569465       3.97652841    
 H   -5.04241180       2.98945379       4.01445580    
 H   -4.72713041       1.71208823       3.21735048    
 O   -4.89855146       1.01810896       6.44516897    
 H   -4.73201561       1.44248140       5.59150314    
 H   -4.09707165      0.515547335       6.65883493    
 O   -2.34005523     -0.747612715       4.00742102    
 H   -2.08246899      0.119349182       3.68313885    
 H   -3.19479656     -0.955081701       3.61007047    
 O  -0.784458756       2.12003231       6.48758698    
 H    7.66810924E-02   2.20593977       6.88770676    
 H   -1.36005998       2.78332067       6.90939665    
 O   -1.38587117       2.34304500       1.06856811    
 H   -1.35671043       2.25861359       2.02875900    
 H   -2.32028556       2.43964767      0.836916029    
 O  -0.280396521       4.25825453     -0.468633026    
 H   0.534981906       3.97529912     -0.872554243    
 H  -0.589999855       3.52075434       8.91875997E-02
 O   -2.94490385       4.64250660      -1.44020140    
 H   -3.39699817       3.93006825     -0.967285156    
 H   -2.00227833       4.51022673      -1.27635813    
 O   -3.03514004       6.18269300       5.88755035    
 H   -2.73401690       7.08592892       5.94561291    
 H   -2.70443916       5.83059025       5.04378033    
 O   -7.80946398       1.82450426       3.22072673    
 H   -7.41635561       2.68924761       3.43049717    
 H   -8.72944164       1.98309708       3.02474236    
 O   -4.55575943       5.17958069       2.03259921    
 H   -3.76945424       5.13407326       2.59482718    
 H   -4.37270069       5.84339905       1.35565174    
 O   -3.63046479       6.84952688      -2.72562504E-02
 H   -3.93193650       7.56987047     -0.573444963    
 H   -3.42193270       6.10867262     -0.625534415    
 O   -5.67680883       5.13297749       6.14311504    
 H   -4.82494116       5.58116722       6.07169962    
 H   -5.58720732       4.50404453       6.86972237    
 O   -2.46338725       3.94858003       7.54279566    
 H   -3.33754373       3.67179942       7.84292507    
 H   -2.59872580       4.76392078       7.04461098    
 O   -4.97473288      -1.44642997       3.04565787    
 H   -5.11919451      -2.38041306       2.91721153    
 H   -5.60778618      -1.15233707       3.72515821    
 O   -6.46944523       4.15619087       3.74980593    
 H   -5.94237995       4.62586880       3.08848095    
 H   -6.30875063       4.57247734       4.61156321    
          69
 Energy    -248.30345221856621     
  O     15.53878612     13.38340508    -10.06161845
  H     14.58312224     13.32451792     -9.95118119
  H     15.08605082     13.32181369    -16.73671886
  O     15.96079861     11.83761598    -16.88244378
  H     15.91303676     12.51904153     -9.83191626
  H     12.95192732     12.70648299    -14.31500626
  O     15.27454917     16.62161375    -12.55292195
  H     16.91192647     11.80795624    -16.72328081
  H     13.26372643     13.83749796    -15.30563494
  O     15.31014376      9.54121331    -15.39476755
  H     15.61155844     11.01852324    -16.50870709
  H     20.25617198     14.32942641    -11.45424620
  O     15.21857027      8.47554765    -10.48700116
  H     14.98403857     17.52706200    -12.48949913
  H     18.72516758     14.50088946    -11.56912343
  O     16.57850924      7.73990665    -12.69832590
  H     14.49173117     16.06394775    -12.38632331
  H     12.79366378     12.09276515    -10.48470078
  O     15.86574517     12.81932427    -12.81103704
  H     16.16803661      9.60490236    -14.94938277
  H     12.01524581     13.02756994     -9.53368221
  O     13.09155826     10.47104889    -11.18300160
  H     14.96810931      8.65680238    -15.21940232
  H     18.81190660     12.40887570    -15.61972729
  O     17.85001898      9.77216544    -14.18266474
  H     15.77224238      8.23554587    -11.25342169
  H     19.43849559     11.58543505    -16.76950133
  O     18.87809803     13.86027964    -14.68987746
  H     15.44930886      7.87961898     -9.77719626
  H     14.08117174      6.23920079    -14.82590967
  O     13.87303381     11.19484390    -13.68282954
  H     17.14653057      8.34285580    -13.19556166
  H     13.79215664      7.26629238    -13.70667057
  O     14.63090215     14.17285623    -16.60060674
  H     15.94938216      7.37912002    -13.33479427
  H     16.20711818     10.08100650     -9.96782472
  O     12.70132847     13.60799659    -14.55659098
  H     15.68504332     13.15061787    -11.92113576
  H     17.31199810     11.01275453    -10.49426945
  O     19.48537430     13.98931637    -11.90020089
  H     16.03504000     13.57250577    -13.39051834
  H     16.72982264     14.70900383    -10.48955360
  O     12.74468808     13.00283779    -10.14793787
  H     13.32641012     10.71214839    -12.09520586
  H     16.70067937     15.87365369    -11.48951645
  O     18.71433752     11.59646139    -16.14942861
  H     13.81208632      9.92488145    -10.85283839
  H     17.33695026     11.92441850    -12.39825694
  O     14.39608580      7.05140524    -14.43794670
  H     18.02811546     10.31137776    -13.39774571
  H     18.77412576     12.23893164    -11.95215696
  O     16.67888217     10.89530376     -9.77104425
  H     18.22384539     10.27066082    -14.92040914
  H     12.92848616     14.56154814    -13.04786025
  O     17.30065186     15.32192887    -10.97510914
  H     18.03825627     14.34049720    -14.70996491
  H     12.93597701     14.38034978    -11.51234806
  O     18.15264840     11.51092569    -12.06959470
  H     19.19352123     13.92453071    -13.78122781
  H     13.69608767      7.72351931    -11.54497035
  O     13.15329560     15.00166023    -12.21368650
  H     14.26771086     10.58715480    -14.31885664
  H     12.56334761      8.58446728    -12.05411571
  O     12.97549138      7.72475799    -12.18663284
  H     14.58642402     11.78674179    -13.39260794
  H     15.96888838     15.66119334    -13.96261878
  O     16.33705736     14.97970564    -14.53971258
  H     14.42874066     14.51688298    -17.46641247
  H     15.71730531     14.82069642    -15.26373404
          69
 Energy    -248.30321441283115     
  O     19.29083149     10.13201757     -7.50196645
  H     19.82146631      9.71241053     -8.20088994
  H     16.35406041      9.89260478     -9.02184764
  O     17.31426792      5.53354730     -9.91154212
  H     19.83701415     10.80709429     -7.10716018
  H     16.59699839     10.68473577    -12.69437229
  O     17.49516143      5.35434480    -13.47163202
  H     16.60363518      5.33286457    -10.53303723
  H     15.44353720     10.80326752    -13.72251205
  O     17.72383123      8.10125816    -13.47841037
  H     17.62342777      6.42567043    -10.13865183
  H     20.56923571      4.63298204    -13.39177698
  O     15.24216909      5.38107634    -11.75573746
  H     17.47578262      6.31501363    -13.59864136
  H     19.19772818      5.29910719    -13.14452891
  O     20.53339872      8.07715650    -13.77182115
  H     16.69852845      5.15630875    -12.96564433
  H     12.30761019      6.28503636    -10.66274607
  O     21.00108773      6.36020307     -8.05814803
  H     18.62360922      8.34109111    -13.72957946
  H     12.91620976      7.60487834    -11.17097897
  O     13.62288867      5.60857855     -7.75782733
  H     17.14895868      8.87261225    -13.55374051
  H     14.13046387      8.65296572     -8.50777903
  O     20.53866847      8.70965956     -9.50464330
  H     15.08171652      6.33606424    -11.76892268
  H     15.49965815      7.93998064     -8.34281883
  O     18.10849155      8.05211712    -10.66629479
  H     14.48903283      4.98437752    -11.30088289
  H     15.04620614      8.84794968    -12.08347750
  O     18.70274622      7.44094661     -6.63499449
  H     20.47763539      7.15884168    -13.46325957
  H     14.88844088      8.35197723    -10.61405843
  O     17.15611647     10.34721165     -9.31631531
  H     21.09677720      8.07157384    -14.54249937
  H     20.59166698      9.56484875    -12.54645393
  O     15.90893377     10.18203309    -13.16966738
  H     20.68047945      5.79715329     -8.78605883
  H     20.68046257      9.85011768    -11.04513235
  O     20.15637918      5.39595658    -12.99369670
  H     21.69953022      5.87696005     -7.62544865
  H     17.06200654      6.81882265     -7.09180112
  O     12.13648503      7.23248069    -10.73700611
  H     14.54131458      5.82405783     -7.54547215
  H     16.61571046      6.03664369     -8.34448197
  O     15.05475735      8.67972703     -8.78249092
  H     13.14054842      6.44350379     -7.72760688
  H     11.57297015      8.59768164     -7.86777745
  O     14.69357816      8.13704568    -11.53728758
  H     19.74117129      8.40670312     -9.96726394
  H     12.16738655      7.87742999     -9.10347767
  O     20.47432282     10.26393690    -11.89266944
  H     20.87294455      7.94197487     -9.02384503
  H     17.61836159     11.17961732    -10.88242607
  O     16.27970683      6.50485510     -7.56585888
  H     17.96565131      8.09472902    -11.61959244
  H     18.80143122     11.06671601    -11.87487125
  O     12.35845159      8.16739256     -8.19315018
  H     17.72407399      8.84710058    -10.27413388
  H     19.04667365      4.97467842    -10.01381626
  O     17.88202962     11.35669883    -11.79629896
  H     18.84535250      8.38408172     -6.77495998
  H     20.15450795      5.12861601    -11.06863897
  O     20.00750075      4.95150364    -10.13380444
  H     19.45801782      7.00251186     -7.04508814
  H     12.57594511      3.74001424    -10.10172231
  O     13.04578511      4.56362242    -10.20024628
  H     17.78424888     10.35552442     -8.58343090
  H     13.27541933      4.86447538     -9.30256588
          69
 Energy    -248.30320830811556     
  O     13.43532218      8.83076686    -10.92740873
  H     14.02169063      9.13268571    -10.21828423
  H     12.46796763      7.28188671    -11.02893091
  O     13.98839187     10.66389531    -16.68547642
  H     13.38101393      9.52670791    -11.59423907
  H     20.35633283      9.29010899    -13.20584874
  O     16.35082305     10.92888751    -12.75919750
  H     13.59033713     11.36580159    -16.15543283
  H     18.94725546      9.20148494    -13.83982175
  O     14.61068163      4.88809314    -14.38364315
  H     13.76545398      9.83494907    -16.24274784
  H     12.76647049     13.52470172    -14.80067248
  O     15.55130116      6.74480497     -7.97759724
  H     15.39975573     10.74787318    -12.80092619
  H     14.20350312     12.94741466    -14.75001754
  O     15.96833537     13.02076311    -14.66438548
  H     16.70914699     10.43697737    -12.01381999
  H     14.50140806      8.00765074    -15.02416121
  O     15.55697209      7.37494614    -12.04021038
  H     15.23432855      5.53751517    -14.72473228
  H     13.01330813      7.70486562    -14.74152094
  O     13.63885886     10.47586752    -13.14508491
  H     14.94275853      4.63951397    -13.50724106
  H     16.81417867     11.56686139    -17.82313622
  O     17.56440987      8.94379649    -11.03195041
  H     16.41506686      6.61674618     -8.40788740
  H     15.66810936     11.05735670    -16.91532721
  O     18.65929563      6.16926534    -13.49660076
  H     15.66499657      6.50945463     -7.05981958
  H     11.50485462      5.65004095    -14.48697183
  O     18.40298922      4.59917284    -11.29040864
  H     16.22942868     12.46899396    -13.91551394
  H     13.02704504      5.61771101    -14.21294746
  O     12.18876663      6.36965376    -11.19268936
  H     16.30526274     12.57689598    -15.45251256
  H     13.30674333      5.41059631    -10.12933754
  O     19.50864962      8.85995728    -13.12342568
  H     14.76000639      7.77543559    -11.67032882
  H     14.42848622      5.58803613     -9.06398409
  O     13.26081645     12.70980537    -14.80776383
  H     15.52774759      6.42366357    -11.87112227
  H     16.53939244      4.44040537    -11.56554455
  O     13.62190028      8.40484136    -15.01323316
  H     13.59206255      9.74510384    -13.77894352
  H     15.07000740      4.57933146    -11.02614342
  O     16.60493609     11.32608864    -16.92488625
  H     13.36287163     11.27237850    -13.61385335
  H     17.97425078      7.41684864     -9.84211388
  O     12.22101045      6.15476663    -14.10927405
  H     18.31188402      8.92754555    -11.64187270
  H     18.12593684      5.88400593     -9.94701341
  O     14.04272684      4.96109522     -9.68548960
  H     16.88726045      8.34278885    -11.38882715
  H     15.97232092      7.34308176    -13.74096356
  O     15.62465204      4.59470999    -11.82374989
  H     19.09085337      7.02202872    -13.36235464
  H     16.72502313      8.09024080    -14.88473657
  O     17.91390482      6.60005878     -9.33488688
  H     17.87283107      6.35897475    -14.01920813
  H     15.39369361      8.51020194     -8.60680715
  O     16.22741944      7.28776202    -14.67892845
  H     19.01729789      3.87013522    -11.31432052
  H     16.24350023      9.37878316     -9.54964173
  O     15.40299611      9.35386684     -9.08108060
  H     18.54500498      5.11614144    -12.10301282
  H     17.38174426     10.21994424    -15.68842852
  O     17.59269684      9.71542527    -14.89336746
  H     12.13785057      6.28063335    -12.15005544
  H     17.12979243     10.15065188    -14.15983969
          69
 Energy    -248.30319832775257     
  O     -3.49817020      4.81774546      4.27276795
  H     -3.10892217      4.61913103      3.40329474
  H     -2.13604123     -5.05103118      2.04642893
  O      1.25313901      1.70131388     -0.11155741
  H     -3.39614024      5.75635221      4.40882239
  H     -1.15675180      1.95753788     -1.90359641
  O     -1.41656939     -0.29626472      2.89020400
  H      2.14193638      1.77251022     -0.45039904
  H     -1.16171391      3.46659664     -1.67458818
  O     -5.55776515      1.60009553      0.72132364
  H      0.67108368      2.12736982     -0.76487877
  H     -5.39751009      2.39841030      4.95397540
  O     -3.93883103     -1.65489902     -1.71165805
  H     -0.82998116      0.14845064      3.51300780
  H     -5.14348713      3.82461937      4.44848569
  O     -0.40509346     -0.55700534      0.31928120
  H     -2.13071370      0.33412067      2.70070177
  H     -8.31880663      2.42836120      2.74748392
  O     -5.27734693     -1.65840473      4.88303937
  H     -6.28522682      1.79099810      1.32708293
  H     -6.91563512      2.47135939      3.39744072
  O     -6.95242463     -0.80028459      2.95208092
  H     -5.49450872      0.63836866      0.63112588
  H     -2.71602583      3.78290729      1.06097631
  O     -2.08627673      2.67550067      5.60530459
  H     -3.14550082     -2.14519402     -1.42388044
  H     -1.43664769      3.73963918      1.97923329
  O     -2.30843460      0.64228106     -1.34037212
  H     -4.24814128     -2.07285290     -2.51034315
  H     -4.31690439      2.75070268     -0.12002413
  O     -5.15962511     -1.15851022      0.77303455
  H     -0.69914184     -0.50593156      1.23966727
  H     -3.01637455      2.25303403     -0.72735724
  O     -2.40444955     -4.36733917      1.43804464
  H      0.27592848      0.11590553      0.20077196
  H     -4.00302344     -2.07975904      3.58128039
  O     -0.57593778      2.73375484     -1.86756806
  H     -5.95179295     -1.37054949      4.23997469
  H     -2.67605850     -1.60295413      2.91274868
  O     -5.83939122      3.16819091      4.56916761
  H     -5.71403198     -2.23666415      5.50232592
  H      0.60197972      2.57095105      1.44951311
  O     -7.46356730      2.00707591      2.73966989
  H     -6.50215943     -0.99269364      2.11902462
  H      0.24461058      2.48654600      2.95632377
  O     -2.37293831      3.99027595      1.94226161
  H     -7.20574468      0.13031057      2.91910993
  H     -0.67298124      1.90551821      4.95616120
  O     -3.44982685      3.05952159     -0.41644368
  H     -2.48795196      3.47828808      5.25378103
  H      0.74535116      1.34153345      5.20264029
  O     -3.44211902     -2.18431790      2.80317013
  H     -2.80401822      2.02851940      5.65471132
  H     -4.56660219      0.05339675      5.21109770
  O      0.16258186      3.03834142      2.16914656
  H     -1.68875771      0.21573544     -0.73153079
  H     -3.98398961      1.11828852      4.24615911
  O      0.06858691      1.43159831      4.53733041
  H     -2.93980429     -0.03673540     -1.60018116
  H     -1.89073327     -3.45155139     -0.04668831
  O     -4.23816198      0.95751099      5.16953132
  H     -4.82780954     -1.38996684     -0.10360385
  H     -1.11953933     -2.15773262     -0.41906628
  O     -1.71599870     -2.83140268     -0.76889689
  H     -4.52709988     -1.51329531      1.41224505
  H     -3.01459156      2.34196702      2.44146726
  O     -3.44380707      1.48525067      2.56319801
  H     -2.81067680     -3.67107623      1.97779874
  H     -4.16960794      1.45906694      1.92887760
          69
 Energy    -248.30319728558561     
  O     14.46961416      8.96810647    -10.10477035
  H     14.31124576      9.86571171    -10.43395218
  H     18.21116870      6.25248248    -15.47198014
  O     16.51305960      5.11493060    -13.03956365
  H     15.41219524      8.93977404     -9.88216295
  H     15.40597732     11.40476063    -14.71910472
  O     14.15503825     11.38740533    -11.44577970
  H     15.66943678      4.72172993    -12.78169121
  H     15.37389084     10.12798283    -15.59192481
  O     16.39802608     11.99428237    -13.21200839
  H     16.67544269      4.89607982    -13.96455797
  H     15.00182224      8.03583152    -12.87418925
  O     11.11681183      7.22561936    -15.86017143
  H     13.47363905     11.27123257    -12.12063963
  H     16.14123106      6.98330348    -13.04445357
  O     12.99249122      6.05066961    -14.08228074
  H     14.93552994     11.67546429    -11.93228710
  H     14.72170514      7.05657871    -10.06375713
  O     12.62974519     10.61657781    -13.70986507
  H     16.90754952     12.79565065    -13.11837088
  H     15.97935633      6.20312212    -10.29299737
  O     12.90348540     10.11352070    -17.26811982
  H     16.97421502     11.26277417    -12.93209995
  H     18.60779959      6.78981667    -11.48065913
  O     16.91648298      4.81335828    -15.80176779
  H     11.63097805      6.72031210    -15.21761514
  H     17.52202422      5.73479095    -11.63734149
  O     16.18675433      8.52266461    -15.78106434
  H     11.62617490      7.20902928    -16.67964264
  H     13.67470928      3.61031693    -11.56880391
  O     14.62814187      6.21726924    -16.35237416
  H     13.20986078      5.33373417    -13.47638705
  H     14.26805602      5.01806281    -11.33060924
  O     18.60250553      7.10927186    -15.26820082
  H     13.00837461      6.85061381    -13.53303981
  H     17.07200996      9.14566458    -12.58852280
  O     14.87178905     10.92432411    -15.36369101
  H     11.85605332     10.45420151    -14.26274347
  H     18.59833930      9.27475412    -12.54920663
  O     15.91849239      7.91554202    -13.15087009
  H     13.38431228     10.73148293    -14.30570074
  H     19.33475578      7.47728334    -13.69994933
  O     15.01974061      6.15280578    -10.22519872
  H     12.09172288     10.18084237    -16.74930047
  H     20.63058319      7.66195828    -12.87911491
  O     17.92791831      6.31947562    -10.98125003
  H     13.59647768     10.52419239    -16.73676615
  H     17.51392335      7.93343344    -10.01115273
  O     14.00045482      4.38373302    -12.02131121
  H     17.03619504      4.07736918    -16.39638751
  H     17.48162217      9.36353694    -10.53915740
  O     17.78791111      9.77904347    -12.41455198
  H     16.10495894      5.27141577    -16.08067967
  H     12.96537784      8.47386853    -17.85567963
  O     19.68038200      7.72307411    -12.82381117
  H     15.65814816      7.81528752    -16.16847693
  H     12.71331403      7.49850440    -19.02962604
  O     17.22077276      8.82451275     -9.78223709
  H     16.12976475      8.36567363    -14.82346897
  H      9.70469981     10.07574355    -15.61921949
  O     12.90947898      7.53153312    -18.09728863
  H     14.08654776      6.15461217    -15.55172105
  H     10.73002833      8.91624129    -15.59106494
  O     10.63441138      9.88362619    -15.53317020
  H     14.06334144      6.57648277    -17.04858146
  H     12.97119468      9.06336844    -12.88407391
  O     13.24095301      8.23229486    -12.46892242
  H     17.94336420      7.75093061    -15.56263945
  H     13.53823714      8.43888694    -11.57187949
          69
 Energy    -248.30319476523883     
  O     12.30151799      9.51860969    -15.07147857
  H     13.19957118      9.25667385    -14.82394270
  H     15.00523934      5.42271616    -15.46106516
  O     16.24625385      7.13560115    -13.13007433
  H     12.37109786     10.44056457    -15.35274261
  H     19.66745797      7.15323551    -12.60128874
  O     16.87466255     12.40229882    -12.71179899
  H     17.16121082      7.31383870    -12.88104375
  H     18.97200454      8.13704670    -13.56675660
  O     17.30572152     11.00200326    -15.02366170
  H     15.69163720      7.19369785    -12.34053058
  H     15.26327015     10.69466376    -17.27813245
  O     13.12243644      5.31550830    -15.29868545
  H     17.09040901     12.14394693    -11.80807105
  H     16.08531289     11.63853815    -16.39112581
  O     14.95628058     10.46473334     -9.11899653
  H     15.92457021     12.25181539    -12.80376201
  H     15.49140408      8.43941942    -14.09449731
  O     14.45715741      7.44176509    -11.05601297
  H     16.61522901     10.34968086    -14.85089568
  H     15.16978370      9.01677233    -15.52331658
  O     14.24440209     11.48298768    -13.23238978
  H     17.32443973     11.57172009    -14.23955936
  H     10.04997932      8.95910161    -12.81040501
  O     17.43847473      7.07440914    -17.11647379
  H     12.65772867      4.48387743    -15.34700713
  H     11.36116419      9.11208031    -13.61934084
  O     16.02472857      7.81320762     -8.78576879
  H     12.92297185      5.69409887    -14.42435928
  H     18.43361823      8.57600965    -11.04024865
  O     18.85776960      8.69327356    -15.19675686
  H     15.22364859      9.57405830     -8.86002117
  H     17.94742254      9.80186621    -10.21894181
  O     15.95139289      5.60239791    -15.41820102
  H     14.22649933     10.35419085     -9.74160018
  H     11.91796583      7.15268957    -12.81262742
  O     18.93967894      7.76675945    -12.66641974
  H     14.94075697      7.43068204    -10.22063752
  H     13.21900946      6.60832818    -12.20328091
  O     15.29324407     11.60155087    -16.94197798
  H     14.04087289      8.31304469    -11.12169640
  H     17.61580202     12.18623377     -9.38131816
  O     15.09046534      9.17816631    -14.57123637
  H     13.75406197     11.91635782    -13.94099109
  H     16.42307670     11.25490343     -9.69515074
  O     10.99494706      8.84008627    -12.76023826
  H     14.61738937     10.68453405    -13.63615606
  H     16.01827987      8.23422521    -17.39857241
  O     18.08696975      8.84691104    -10.18247906
  H     16.92621207      6.47750951    -16.54027077
  H     14.44911315      8.31140146    -17.38405204
  O     12.55932030      6.43697246    -12.88732495
  H     17.87598230      6.52763129    -17.76357243
  H     12.31127617      9.60038233    -11.60663993
  O     17.28491921     11.56450752    -10.02509060
  H     16.81537782      8.12867698     -9.26212609
  H     13.50135213     10.55270777    -11.87014847
  O     15.26466168      8.83097752    -17.31456485
  H     16.33217736      7.34969135     -8.01219529
  H     12.57699575     12.96634703    -16.04713694
  O     13.14305044      9.91602648    -11.23445437
  H     18.43472415      8.17559120    -15.89134010
  H     13.80155057     12.02908231    -16.17129822
  O     12.97770176     12.18662840    -15.67370499
  H     18.47453816      9.58055865    -15.23321487
  H     12.44352469      8.19199344    -16.49121194
  O     12.86723336      7.53259261    -17.05407604
  H     16.09474340      6.02550097    -14.55958797
  H     12.91969699      6.72861137    -16.52105675
          69
 Energy    -248.30303476951218     
  O     -2.47410031     -6.38223699      3.61280361
  H     -1.73850091     -6.86250738      3.19088460
  H     -1.72263751     -9.56037697     -0.62316934
  O      1.00713602     -2.61088722     -3.43722899
  H     -2.31657909     -6.41299607      4.55221492
  H     -4.22911919     -5.25975979     -1.96573110
  O      1.01869796     -7.77069074     -1.41507071
  H      1.51442982     -2.64984775     -2.60665512
  H     -5.23213022     -6.42968274     -2.14145250
  O     -6.86622887     -6.94931622     -1.40797020
  H      1.17286477     -1.75460729     -3.82223518
  H      4.71715626     -5.33227438     -0.24640654
  O      1.63506141     -5.28044286     -4.21307830
  H      1.09241471     -7.20665673     -0.63007000
  H      3.71001762     -5.82181751     -1.31213918
  O     -2.81124279     -8.10014728     -3.58010487
  H      1.83304552     -7.64165440     -1.91275525
  H     -3.99027257     -9.75652506     -1.06465306
  O     -2.59428293     -6.73549874     -0.20194341
  H     -6.69849701     -6.28082470     -0.71870695
  H     -3.46201050    -11.02346070     -1.77294412
  O     -1.32017171     -3.86163308     -2.36382259
  H     -7.76338798     -6.82384697     -1.70404452
  H     -3.38034727     -3.85176629     -0.02327749
  O     -6.02899463     -5.15133636      0.43772801
  H      1.49392774     -4.33781288     -4.06745578
  H     -3.00613169     -3.62942723     -1.49257714
  O      3.34079792     -6.79520796     -2.80004327
  H      0.78033934     -5.70240363     -4.04246184
  H     -3.98531206     -6.98342012      2.56390279
  O     -5.31885694     -9.01909109     -0.19606011
  H     -3.44156446     -7.41631059     -3.30926187
  H     -3.86532545     -7.06799248      1.04043751
  O     -1.07366609     -9.07082858     -0.10109861
  H     -2.95073384     -8.84114182     -2.97974599
  H      0.82007936     -5.28467196      0.56645119
  O     -4.33825308     -6.13548088     -2.35881332
  H     -3.09614132     -6.67412098     -1.02318511
  H      2.26500962     -5.83069136      0.51469314
  O      3.79784844     -5.29704207     -0.50031127
  H     -2.04421073     -7.52696030     -0.22648682
  H     -0.83611275     -3.89484230      0.77296276
  O     -3.23360005    -10.12310880     -1.55598240
  H     -1.19593480     -4.77569806     -2.66082426
  H     -0.50395430     -3.83635867     -0.73081483
  O     -3.76513166     -3.75932807     -0.90615475
  H     -0.65953412     -3.33173580     -2.82632530
  H      1.48414213     -3.07553763     -0.48532159
  O     -4.49978136     -7.16097361      1.76882273
  H     -5.53938616     -5.73543095      1.03380431
  H      2.86519874     -3.63362788     -0.87433729
  O      1.36029042     -6.06757112      0.75030617
  H     -5.38671726     -4.54784448      0.04917096
  H      0.24963399     -7.10755235      1.90669562
  O     -0.10409690     -3.79651840      0.14987706
  H      3.88669463     -7.29623312     -3.39988016
  H     -0.68336804     -8.29290447      1.61387995
  O      2.25763603     -2.90498355     -1.04210617
  H      2.77470621     -6.22046247     -3.34882963
  H     -2.36845442     -5.29682784      0.81790901
  O     -0.44836590     -7.65009032      2.29502721
  H     -5.93660544     -8.44597718     -0.66645435
  H     -2.47212031     -4.94405929      2.30835527
  O     -2.39071813     -4.54522687      1.43586216
  H     -5.12657079     -8.55808481      0.63065767
  H     -1.39510898     -7.03762361     -3.46150190
  O     -0.68276531     -6.43456999     -3.20661871
  H     -0.32760840     -8.84243745     -0.67246843
  H     -0.15032724     -6.89724135     -2.54696455
          69
 Energy    -248.30286951055933     
  O     15.75186318     10.30593737    -16.58172993
  H     14.85740996     10.39115363    -16.22994441
  H     19.27279323     10.77906365    -16.60635189
  O     16.29173147      4.98908434    -13.65048335
  H     15.70323906      9.85978559    -17.43717916
  H     16.48215307      8.41899507    -14.01943308
  O     19.78633579      8.64018877    -14.62824153
  H     15.39997678      5.33096408    -13.51376139
  H     16.58271954      9.15159087    -15.40221881
  O     14.95663344      6.69381651    -17.31020821
  H     16.55240618      5.23511177    -14.54445535
  H     13.75107066     10.65382748    -14.35051026
  O     16.90736094     10.25350702     -9.50639578
  H     20.04644909      9.13994962    -15.41076281
  H     12.55840944     10.98286762    -15.27885492
  O     15.49754054      8.30235537    -12.50709247
  H     18.81628123      8.59971535    -14.65639651
  H     18.02987933      7.01807849    -11.17602646
  O     17.41439903     11.66600701    -13.08720363
  H     15.18990378      7.35974342    -17.96789994
  H     16.89807340      8.03160811    -11.45292309
  O     19.71393859      5.82368836    -14.49649361
  H     15.79296890      6.32344626    -17.00372043
  H     13.19354023      8.50714047    -15.36895622
  O     13.77042279      6.21713722    -13.13767877
  H     17.21528821      9.39552049     -9.82262081
  H     13.76196008      7.24964217    -16.09378088
  O     17.48072187      6.14519200    -16.07047067
  H     17.58127737     10.89548743     -9.76234412
  H     19.21784540     11.24850183    -11.14060232
  O     18.38411177      5.34968297    -11.95423510
  H     14.82570376      7.62016529    -12.63247360
  H     19.66550732     12.43527771    -10.26006476
  O     19.91885865     10.14824776    -16.97247492
  H     15.08102810      9.17129683    -12.55834554
  H     19.68671249      9.40748450    -12.99470003
  O     17.02952302      8.53766188    -14.80587858
  H     17.67545284     12.20495297    -12.33342808
  H     18.83775128      9.09128340    -11.72879994
  O     13.32783565     10.42505432    -15.19623602
  H     17.94896263     10.86600111    -12.98349812
  H     15.28048763     10.81837495     -9.90128800
  O     17.72465015      7.90770949    -10.96037782
  H     19.40595166      5.64496479    -13.60031984
  H     13.91409143     11.33745889     -9.41972105
  O     13.18966349      7.54476033    -15.36898728
  H     19.93386110      6.76535025    -14.51517858
  H     18.93537442      8.69912103    -17.74025914
  O     18.89412109     12.00305850    -10.61717207
  H     12.99928713      5.79045460    -12.77595435
  H     18.25083041      7.32391814    -17.49711193
  O     19.33111603      9.79010111    -12.18260490
  H     13.49367063      6.65644789    -13.96394674
  H     14.48419347     11.10988937    -11.95947577
  O     14.41927969     11.15258139    -10.20616817
  H     18.30297139      5.86411041    -15.64087408
  H     15.60413006     11.25841052    -13.03133860
  O     18.35272349      8.03887098    -18.13526715
  H     17.23681820      6.98299390    -15.64338338
  H     17.18904081     11.37809536    -16.22947440
  O     14.69482495     10.95932086    -12.89424263
  H     18.56964444      4.53159576    -11.49960160
  H     17.87357189     11.88563386    -14.95322126
  O     18.01457240     11.76063255    -15.89852717
  H     17.60435419      5.18488508    -12.51486784
  H     16.82482433      8.55714029    -18.75243958
  O     15.91075394      8.83286111    -18.95172555
  H     20.56832045     10.66099829    -17.44580958
  H     15.85235870      8.94121853    -19.89663975
          69
 Energy    -248.30285428010939     
  O     -1.07262190      3.93597487      2.81480460
  H     -0.64326786      3.15073940      3.17882321
  H     -0.56962110      8.33635278      0.53458836
  O     -2.62446263      5.99220355     -0.24340193
  H     -1.86111494      3.66791859      2.32572921
  H     -0.14192898      1.10550539      0.53904872
  O      4.40359412      6.10448271      0.03428632
  H     -2.59540239      6.70536604      0.40764546
  H      1.37106359      1.28615862      0.66694549
  O      2.16742735      6.95666671      1.48139230
  H     -1.75639527      5.99406823     -0.66708284
  H     -0.50095118      4.42781580     -2.28595355
  O     -0.02724489      5.94802953     -1.37441057
  H      5.18491038      6.54844434     -0.28488202
  H     -0.90916996      2.96204854     -1.89901942
  O      2.41158332      2.54710380     -0.17979229
  H      3.86867793      5.88550845     -0.74897739
  H     -4.21457165      1.04175059     -1.25455560
  O      0.79400117      4.59955936      0.82091236
  H      3.02859077      6.75237960      1.09448355
  H     -4.05575021     -0.48834027     -1.31170950
  O     -2.10455551      7.98701692      1.65536119
  H      2.23359167      6.89997509      2.44340634
  H      3.15097558      3.79360188      3.10574268
  O     -1.44731571      1.86884461     -0.54903192
  H      0.25584151      5.39836319     -0.62297830
  H      1.90165705      3.16619082      3.78426336
  O     -0.78796674      6.59445698      3.55480673
  H      0.04497198      6.86952198     -1.07778997
  H     -3.34130189      5.04600931     -1.75278986
  O     -3.12528060      3.53960611      0.97903354
  H      2.35092358      2.57520272     -1.14036180
  H     -2.66259115      4.02855960     -2.69012695
  O      0.20889655      8.27896363     -0.03219183
  H      1.84905425      3.26384767      0.15521978
  H      0.50264944      1.08416984      4.24902611
  O      0.61096224      0.87005137      1.09642325
  H      1.29472016      5.36337163      1.14007492
  H      0.57005694      1.39928764      2.73525632
  O     -0.70286818      3.55048998     -2.64254810
  H      0.16636440      4.35581619      1.51176418
  H      2.17075533      2.38744701     -3.74395067
  O     -3.57059906      0.32954304     -1.38767062
  H     -2.61642166      8.67481480      2.07198529
  H      1.02204846      3.07761024     -2.97650169
  O      2.51541426      3.90572248      3.82889933
  H     -1.63370241      7.51699234      2.36774863
  H      2.44290370      6.79870811      5.01377490
  O     -3.52298204      4.33561442     -2.38240113
  H     -2.07914540      1.21699275     -0.88628561
  H      2.17910404      5.54710172      4.14155830
  O      0.51725623      1.80135635      3.62141117
  H     -1.94908348      2.45554838      0.03171444
  H      4.40642559      4.51774773      1.15003775
  O      1.98130231      2.92645715     -2.98010740
  H     -0.94821011      5.65279017      3.39852437
  H      3.72257329      3.15817598      0.99418599
  O      1.99835466      6.50258308      4.22480860
  H      0.12408949      6.65723391      3.85917358
  H     -6.00087999      2.90400014     -1.02258168
  O      4.19927316      3.70847386      1.63075005
  H     -2.97330260      4.41975529      0.60121835
  H     -4.57660403      3.23316140     -1.52925690
  O     -5.08569382      2.65144215     -0.93508752
  H     -3.90054258      3.18416641      0.53056838
  H      1.86541353      5.85637585     -1.97340968
  O      2.76483693      5.52906929     -2.08386337
  H      0.92380418      7.94931716      0.53228534
  H      2.66361713      4.65183289     -2.47243119
          69
 Energy    -248.30269706426651     
  O     12.26930932     11.32376850    -15.34394603
  H     12.24106242     11.10262474    -14.39552786
  H     17.85983019      5.89094108    -16.14512082
  O     15.96080489      7.09601181    -12.94323058
  H     11.49629595     11.85251066    -15.52336907
  H     16.98796422     12.81091384    -18.00440299
  O     17.71044158      9.68302130    -16.44765445
  H     16.92319558      7.02218234    -12.99208982
  H     16.05492372     12.23120903    -16.92945885
  O     12.67538922      6.78647097    -14.29974226
  H     15.59518025      6.49625679    -13.60701626
  H     15.72875935     10.08606615    -14.17859618
  O     16.81712753     11.46832022     -9.48047374
  H     17.47509084     10.48856776    -16.92848713
  H     15.76589458      8.53380363    -14.02913845
  O     14.52985512      8.24057538    -10.89603685
  H     16.96963179      9.49727314    -15.85123741
  H     12.04897514      9.71971453    -12.46555846
  O     16.02986979     11.57604058    -13.23991502
  H     13.37820186      6.15364292    -14.47976282
  H     12.91164632     10.93820816    -12.09460456
  O     17.43814501      7.06619552    -17.32795462
  H     12.80064780      7.50724413    -14.93248601
  H     18.92560502      7.58197928    -11.65177226
  O     16.72208874      8.77319061     -9.20629456
  H     16.79345109     10.51529852     -9.27501286
  H     19.84929274      7.97181022    -10.48214268
  O     14.57877891      6.86376207    -17.52325507
  H     17.00814692     11.92356839     -8.66507440
  H     11.14504227      7.46547492    -11.61729700
  O     15.14994020      5.48944662    -15.09177374
  H     13.60520954      8.05915514    -11.10351363
  H     12.17676115      7.44136587    -12.77039297
  O     17.98338120      5.22993676    -15.43797772
  H     15.05055424      7.80982222    -11.59051598
  H     19.11822694     10.07517705    -13.58815344
  O     16.74678670     11.99675715    -17.57108186
  H     16.89633880     11.35758037    -12.87335036
  H     18.89616200      9.59922993    -15.04911163
  O     15.64272130      9.25242466    -14.66047590
  H     15.40187584     11.47352932    -12.51145996
  H     18.59114361      6.28505676    -14.00531600
  O     12.24619669     10.62868696    -12.72163891
  H     17.65110513      7.99001315    -17.13395260
  H     18.99191479      7.76764686    -13.70146752
  O     18.97384420      8.10914796    -10.83805470
  H     16.49686066      7.04930041    -17.53639074
  H     18.55114832      9.86172709    -11.52960361
  O     11.93940189      7.88517843    -11.93657958
  H     17.46758922      8.41314601     -9.70288155
  H     17.90488965     11.16081738    -11.04493052
  O     19.36111143      9.39590850    -14.22455679
  H     15.92232771      8.47702911     -9.66203976
  H     14.49711966     10.06462032    -10.97202271
  O     18.70882854      6.92917365    -13.29783631
  H     14.06969263      6.58259504    -18.27958829
  H     15.14796103     11.34809519    -10.41151948
  O     18.31018247     10.75058915    -11.82038186
  H     14.11157768      7.62546910    -17.14122799
  H     15.30374097     12.37177778    -14.78004618
  O     14.46458929     11.03278700    -11.01485471
  H     14.94108915      5.90154527    -15.94156268
  H     13.99493140     12.17763854    -15.57453425
  O     14.88190306     12.54994628    -15.63113858
  H     16.07390583      5.21634426    -15.16112831
  H     12.87107217      9.67640310    -16.00981211
  O     13.37899075      8.86174444    -16.09097506
  H     18.48141966      4.51083565    -15.81758664
  H     14.20188227      9.02258125    -15.59907353
          69
 Energy    -248.30240689594041     
  O     -3.38648253      1.90378671      1.54914038
  H     -2.46346472      1.78678740      1.26084380
  H     -2.25814838     -6.87032107      0.75975782
  O     -2.25770673     -0.57562324      6.43576548
  H     -3.61756753      2.81134108      1.37158919
  H      3.73836925     -1.61810657      2.27497725
  O     -3.10369537      0.33341978      3.88797202
  H     -2.59874549     -0.13241427      5.64737703
  H      2.84635802     -2.82415059      1.94592725
  O      2.58877178     -3.10635226      5.15767312
  H     -1.34427240     -0.81821369      6.23551838
  H     -0.76486239     -1.65429163      0.69326809
  O     -3.54679640     -2.89054330      6.96098557
  H     -3.59026995     -0.46345029      3.62957085
  H     -0.52571932     -1.38108997      2.20391154
  O      0.15710608     -1.72018794      5.43779396
  H     -3.28760801      0.99323373      3.20849086
  H     -1.88580544     -3.19711059      2.11832882
  O      0.76229415     -5.26326353      4.49303608
  H      2.91056378     -2.86693793      4.27153188
  H     -2.50881480     -4.60376807      1.94244659
  O     -5.79072275     -2.79596455      5.28944095
  H      3.36016646     -3.27415790      5.69291928
  H      0.84522112     -2.99941297      1.15241434
  O     -0.80752679      1.38187019      0.88008247
  H     -3.43022312     -3.12050676      7.87913134
  H      1.53025159     -3.33993026     -0.18360698
  O      0.52049346     -5.83132043      1.79240307
  H     -3.12704386     -2.01996154      6.83307837
  H     -5.05289467     -2.21931314      3.75017461
  O     -1.61353751     -4.17570579     -1.37625854
  H     -0.45400306     -2.45530055      5.27883022
  H     -3.88451214     -2.63232172      2.80545958
  O     -1.96802672     -5.96388345      0.80689845
  H      1.04070544     -2.10675962      5.44635231
  H     -0.06256917     -3.51063160     -1.74421391
  O      3.39425559     -2.42879897      2.64252907
  H     -0.08158515     -4.89462440      4.78566471
  H      1.09818885     -3.28783201     -2.74532868
  O     -0.64803583     -2.08313503      1.55041709
  H      1.42987031     -4.61561615      4.74488309
  H     -0.04536891     -0.52516388      4.07511910
  O     -2.56779342     -3.79486193      2.46332083
  H     -5.06229893     -2.86575640      5.92511053
  H     -1.32714751      0.14835640      3.53577172
  O      1.63137035     -3.42175418      0.77156823
  H     -6.57518360     -2.62043695      5.80350441
  H     -1.63252237     -1.07763273     -1.22599824
  O     -4.49586842     -1.91376432      3.02209713
  H     -0.70051218      0.72108215      0.18353468
  H     -0.12422225     -1.41306424     -1.35848311
  O      0.77006935     -3.02294066     -1.89060460
  H     -0.45826224      0.99110905      1.69193992
  H     -3.74104889     -1.42722830     -0.72731404
  O     -0.39433636     -0.01532733      3.33142283
  H      0.62680225     -5.72641080      2.74943813
  H     -3.87437166     -1.76464287     -2.22798697
  O     -0.74819729     -0.80363415     -0.94461786
  H      1.02501964     -5.11550759      1.38920823
  H     -2.32649332     -3.66968194      5.69876450
  O     -3.29399019     -1.85970896     -1.47717593
  H     -1.79013299     -4.79887352     -0.66120682
  H     -2.00921409     -3.88404900      4.18757039
  O     -1.61851159     -3.85408033      5.07246102
  H     -2.29613522     -3.49440480     -1.34075062
  H     -4.58874573     -1.06443831      1.40234372
  O     -4.44267045     -0.57576200      0.58073956
  H     -1.05719080     -5.97627584      1.15814817
  H     -4.15419125      0.30644586      0.84150810
          69
 Energy    -248.30239565540791     
  O     13.93274705     11.42537361     -8.36250951
  H     13.96336019     11.44504723     -7.41015429
  H     11.80903698     13.84847796    -13.10945082
  O     11.37895873     11.20930392    -15.14730407
  H     14.57879653     12.08272485     -8.67996548
  H     13.63416661     14.58147210    -11.36238340
  O     14.54847645      9.17815375    -10.05168995
  H     11.32481139     12.03885146    -14.64868422
  H     12.69823532     13.32202854    -11.16821808
  O     18.75359829     13.32842658    -13.19643672
  H     11.47798059     11.45319241    -16.07596847
  H     11.98583876     14.32764275    -15.21761615
  O     12.03605233     11.82831074    -10.37391496
  H     13.78206206      9.14288878    -10.63761036
  H     12.29958555     13.84848380    -16.64160034
  O     12.43568264      9.49643773    -11.92070421
  H     14.36657620      9.87924205     -9.41451231
  H     15.60053416     12.19950982    -12.49565320
  O     13.82574201     10.14007593    -14.27118870
  H     18.41543256     12.92279576    -14.01552773
  H     14.19756787     12.88445839    -12.59481089
  O     15.11792031     15.58222740    -10.85060526
  H     19.68104806     13.49945442    -13.33433478
  H     16.85440122     12.97500122    -15.53563245
  O      9.98975673      9.64651254    -13.34194148
  H     12.19899919     11.04861393    -10.92347401
  H     17.16032363     11.46728049    -15.54003079
  O     15.19466062     13.89564723    -15.30256168
  H     12.57038218     11.71183102     -9.57811080
  H     11.72083992     12.21236098    -18.60534235
  O     14.65280403     11.94168668    -17.38582397
  H     11.54511675      9.38024384    -12.27294233
  H     12.94497122     12.04475327    -17.67207783
  O     11.10837526     13.58779205    -13.72503498
  H     13.00718897      9.60605749    -12.69327610
  H     16.13458461      9.17020082    -10.82003497
  O     13.02565146     13.97720622    -11.80280340
  H     14.21283968     10.90277724    -13.80846328
  H     17.50503470      8.48929895    -10.97011876
  O     12.58785950     14.46706447    -15.96106042
  H     13.00766725     10.45497247    -14.67827859
  H     16.35844823      9.04725855    -15.97937672
  O     14.82843457     12.32218533    -13.06316290
  H     15.14220788     16.50244328    -10.60183554
  H     15.26546570      9.90131828    -15.30241058
  O     17.56361397     12.33258596    -15.40285487
  H     15.66394536     15.49575391    -11.65201611
  H     17.76096276     12.35166736    -11.96867071
  O     11.98154533     12.19104660    -17.68888937
  H      9.34477510      9.06990277    -13.74344828
  H     17.15234886     11.00578146    -11.41083328
  O     17.00367651      9.24986796    -11.25093150
  H     10.41609780     10.13762884    -14.06487029
  H     10.30399794     12.08458161    -11.22698343
  O     16.03370163      9.94018392    -15.89660666
  H     15.07440322     13.31202809    -14.53609692
  H      9.57140590     11.25415921    -12.29395376
  O     17.04634176     11.96837331    -11.44695813
  H     14.31902785     14.24113577    -15.53330107
  H     17.38134558     14.69866253    -13.10081506
  O      9.61379395     12.13409580    -11.90143365
  H     15.14545650     11.18132963    -17.05572707
  H     16.12299213     15.00609479    -13.93285596
  O     16.59270718     15.25387872    -13.12829112
  H     14.86519190     12.66487417    -16.78329584
  H     15.51634751     14.07369443     -9.74765010
  O     15.68559446     13.20002158     -9.37892464
  H     10.41537746     13.20828907    -13.16616935
  H     16.24030266     12.74671600    -10.03061090
          69
 Energy    -248.30222216467962     
  O     16.83385308     12.10231892    -18.40230078
  H     16.91338150     11.53732588    -19.16656883
  H     19.96735372     13.02879128    -16.94415474
  O     18.98924567     17.58139366    -14.14491503
  H     17.73820543     12.34363592    -18.13665406
  H     13.22615576     13.61482421    -11.72397200
  O     16.22707172     15.49365011    -11.84734901
  H     18.84586563     18.30542025    -13.51915279
  H     13.96066348     13.75700130    -13.07875346
  O     14.61105574     16.07923750    -16.41027034
  H     18.13564663     17.14934195    -14.29178784
  H     20.22150460     14.85405239    -13.07562293
  O     16.18754297     11.76632995    -11.83983781
  H     16.36302662     15.77359149    -12.76307265
  H     20.03757536     16.39653083    -13.28665272
  O     13.83902857     13.83194231    -14.79510014
  H     15.42449662     14.95668842    -11.84191218
  H     17.45851322     14.29166837    -11.25618479
  O     21.15018916     13.01517264    -15.61117614
  H     14.02893808     16.69616732    -16.84541907
  H     18.78172377     14.18022111    -10.47581516
  O     22.39948150     15.52988107    -15.00680182
  H     15.16480794     15.67939915    -17.10455088
  H     15.85659984     11.21549169    -15.33092597
  O     17.78675659     17.37110282    -10.43012021
  H     16.88080441     12.26947372    -11.39656207
  H     15.88168858     11.82066497    -16.78428220
  O     19.49021831     13.22487151    -13.31597671
  H     15.42780135     12.35854311    -11.89986076
  H     21.10358798     16.43765918    -16.10724873
  O     16.24089325     14.95706839    -18.27552906
  H     14.31719809     13.10421364    -15.21834861
  H     19.84668821     17.23780534    -15.71861604
  O     19.20698005     13.14160223    -17.53424199
  H     14.00491065     14.61128641    -15.33661616
  H     18.21215617     18.72712010    -11.48399934
  O     14.09087499     13.70786292    -12.11419037
  H     20.69015998     12.90377100    -14.76850459
  H     18.16169469     20.22234912    -11.84543753
  O     20.61469285     15.72226736    -12.89736458
  H     21.69023421     13.80724215    -15.50482828
  H     20.34903787     15.70907608    -11.10164408
  O     18.11569190     13.65521223    -10.93347725
  H     23.29263865     15.79899193    -14.80739785
  H     20.83366419     15.68590295     -9.63438189
  O     15.51730110     11.92651302    -15.89809283
  H     21.88546531     15.63862195    -14.18943181
  H     17.26515903      9.59359901    -13.88882690
  O     20.32066668     16.86279964    -16.47411111
  H     17.14133532     16.77943371    -10.84014782
  H     16.44363713     10.72079343    -13.24018554
  O     18.48508726     19.37995715    -12.15159945
  H     18.54877665     16.82138723    -10.21409422
  H     18.15746282     13.57011633    -16.04900812
  O     20.05632591     15.60498151    -10.18110329
  H     18.77917190     13.32027980    -13.96759861
  H     16.84839623     13.08399755    -15.37265989
  O     16.56829692     10.21959482    -14.06457007
  H     19.05794481     13.20394775    -12.45287242
  H     19.29977671     16.15972458    -19.31836972
  O     17.60864514     13.66911862    -15.26149403
  H     17.13705374     15.30547572    -18.36400937
  H     19.44147924     16.19612917    -17.78030464
  O     18.98378596     15.75125971    -18.51670670
  H     16.31214905     14.00264673    -18.38761447
  H     15.93129096     16.29067981    -15.10649851
  O     16.68090439     16.13320228    -14.52125918
  H     19.25874181     14.02109072    -17.93148155
  H     17.04395095     15.27245541    -14.78197085
          69
 Energy    -248.30214442684115     
  O     14.15101323     11.29390614    -11.24121694
  H     14.80488867     11.25120444    -11.96078943
  H     14.55796010     10.00256701    -16.40860107
  O     14.14506438      7.06724886    -15.15462928
  H     14.36062616     12.06574991    -10.72209401
  H     17.74872374      5.47763333    -15.64360013
  O     16.29344866      4.84884025    -11.77191515
  H     14.33148264      6.13342727    -14.99714770
  H     17.79386176      4.26474377    -16.60019880
  O     20.05717718      6.79577518    -13.10769326
  H     14.84624248      7.53690396    -14.67236653
  H     18.66081855      9.66089176    -12.59033758
  O     13.87899176     11.48434444    -15.41706146
  H     15.66198105      4.43010781    -11.17507318
  H     19.25110743      8.28432258    -12.23424329
  O     12.81451866      6.14456057     -9.88188495
  H     16.42359011      5.75753030    -11.46148780
  H     15.98326308      9.20640169    -13.64754536
  O     12.46965585      7.96473327    -13.13724926
  H     19.62190375      5.92964592    -13.00931424
  H     16.27944896      7.91835045    -12.83490186
  O     16.58308909      7.47482607    -11.08511050
  H     20.99603105      6.63375694    -13.06628973
  H     13.29991598      3.63634750    -11.92166940
  O     17.77946289      9.65329409    -16.39440797
  H     13.51700517     12.22727858    -15.89255163
  H     13.54324622      3.95376923    -13.41197089
  O     11.08489444      5.75440265    -12.14027203
  H     13.21732409     11.22601837    -14.75040298
  H     12.20802604      9.76837209    -13.32023913
  O     18.20454667      7.15135526    -15.20517315
  H     13.23942468      6.99635020    -10.04336689
  H     12.71985156     11.01181190    -12.56691312
  O     15.04118641      9.26368102    -16.79819983
  H     12.11203699      6.06836627    -10.54013368
  H     18.39980981      4.27251733    -13.97551643
  O     17.53082700      4.53313096    -15.72366549
  H     12.96736962      7.63609322    -13.89885821
  H     17.92107001      4.47631336    -12.52806733
  O     18.73198749      9.01739146    -11.87682381
  H     11.89361172      7.24929467    -12.84093047
  H     15.48639301      4.71551924    -13.41416380
  O     16.11705127      8.25476294    -13.72468511
  H     15.75641521      7.92852949    -10.86841529
  H     15.83818314      4.41927443    -14.88278844
  O     12.84808990      3.79468491    -12.76016067
  H     17.30699394      8.11251234    -11.17343351
  H     14.13744277      3.28296485     -9.44622879
  O     12.27159199     10.73301860    -13.37354973
  H     18.08107602      8.75586649    -16.20455379
  H     13.72933338      4.66355593    -10.01580074
  O     18.71557298      4.43807348    -13.07972056
  H     16.84245466      9.56572773    -16.62394254
  H     18.25549117     10.50716141    -14.96352064
  O     15.09362424      4.56372900    -14.28712974
  H     10.18840697      5.44015840    -12.21776411
  H     19.16642719     11.55938639    -14.28787645
  O     14.19585069      3.83345920    -10.22212211
  H     11.66588590      5.02638397    -12.42688627
  H     14.03066308      9.48438179    -10.81345549
  O     18.46485696     10.93769923    -14.11416237
  H     18.93349171      7.09277803    -14.57459200
  H     13.54619603      8.29927467    -11.67750596
  O     14.02082805      8.52112409    -10.86241485
  H     17.46446149      7.55867609    -14.72890015
  H     15.25508937     11.28930400    -14.18982373
  O     15.79671761     11.06667619    -13.41997779
  H     14.63680239      8.46441570    -16.44015337
  H     16.72832766     11.17985209    -13.65060224
          69
 Energy    -248.30212638308609     
  O     12.46853603     10.51983401    -10.74051838
  H     12.88601842     11.05881112    -11.42399201
  H     14.22968932      6.74006295    -17.16847272
  O     13.29624636      7.42538272    -14.30699440
  H     13.15719893      9.93948167    -10.39162513
  H     15.60665057     11.65743283    -15.75731502
  O     18.83143077     10.48956290    -11.64306295
  H     13.33585461      7.10089846    -13.39602718
  H     15.03299912     13.06499091    -16.04042719
  O     16.77923281      8.42379587    -17.74794635
  H     12.71791126      8.19877953    -14.30456125
  H     14.85117123      8.34921942    -14.23859591
  O     11.89011007      9.82019599    -14.13123737
  H     19.50006824     10.91958056    -11.11756338
  H     15.97303559      9.30402855    -14.79789431
  O     16.61510453      6.85969070     -9.41966265
  H     18.83252809      9.54696067    -11.39123789
  H     17.62772477      6.47071847    -14.53044787
  O     13.49668079      6.71228293    -11.66529945
  H     15.85905545      8.33974494    -18.03070395
  H     16.95145684      7.59311921    -13.72746658
  O     16.03542158     10.44634460    -11.91994292
  H     17.00296986      7.59885162    -17.30207732
  H     10.03648727      6.20593549    -11.56073724
  O     13.99378796      8.24365252    -18.29028274
  H     12.54342944     10.41547280    -13.73477361
  H     10.50583501      7.66775442    -11.47825405
  O     16.01418575      5.49442062    -11.68217988
  H     11.20249484      9.69061396    -13.46874921
  H     18.99383086      9.99676717    -13.47026638
  O     16.86011239     10.45485904    -15.95010410
  H     16.72043611      6.29509364     -8.65852257
  H     18.77325911      8.66967195    -14.21417842
  O     14.44725060      6.11902144    -16.46203474
  H     16.40654764      6.27847568    -10.17415405
  H     17.43630176      5.15061618    -16.71518277
  O     14.82539089     12.22598514    -15.63681143
  H     12.55714763      6.62237597    -11.45301365
  H     16.16510596      5.92436449    -16.29471256
  O     15.69078203      8.77973358    -14.03758226
  H     13.83775624      7.46208248    -11.15873279
  H     18.02947387      7.53691636    -10.48883052
  O     17.65162435      6.92226144    -13.67703470
  H     16.97739122     10.60033807    -11.78693324
  H     18.40721255      7.40224901    -11.98226280
  O     10.76963629      6.75456504    -11.29143942
  H     15.94806363      9.82804836    -12.66425893
  H     13.62729496     10.96171725    -16.42770075
  O     18.93221362      9.60834045    -14.35230157
  H     13.52429634      8.29494426    -19.11853956
  H     12.49231679     10.06736857    -15.90765733
  O     17.13924782      5.93110332    -16.25414025
  H     13.63577107      8.94962711    -17.72378608
  H     15.29743778      8.19654265     -9.75239383
  O     18.64660916      7.85052240    -11.16089128
  H     15.09568950      5.78331038    -11.78597957
  H     15.19096606      9.39256857    -10.72518974
  O     13.05726760     10.22395346    -16.67453350
  H     16.50558327      5.82436017    -12.44159659
  H     14.60403241     11.30654344    -12.60937792
  O     14.66619245      8.78974202    -10.17756219
  H     16.87074260      9.82260634    -16.68518254
  H     14.08741696     11.95326654    -13.90513794
  O     13.79651248     11.60741804    -13.05209898
  H     17.66222912     10.29919351    -15.43057780
  H      9.48228475      9.99754857    -11.59262894
  O     10.23890509      9.46590913    -11.82564605
  H     13.97513229      6.44914314    -15.68501581
  H     11.00457395      9.84879344    -11.35768220
          69
 Energy    -248.30211893221775     
  O     14.10768287      8.13628621    -17.50570816
  H     14.55915865      7.55029956    -18.10627580
  H     13.17016316     12.86007692    -14.28274075
  O     11.03420602      9.63975875    -11.95553800
  H     14.51839682      9.01542255    -17.60438117
  H     16.48583322      9.94086303    -11.73821338
  O     14.06566375      8.67040330    -14.74557872
  H     10.45746156     10.17193071    -11.38953309
  H     14.97025478     10.03149069    -11.41021348
  O     13.25384165     12.87849247     -9.76400570
  H     11.27596340      8.84237115    -11.46789989
  H     14.10670431      7.73466208    -13.15127138
  O     15.07346397     10.66826099    -17.54961017
  H     14.09986459      8.32927237    -15.64813261
  H     14.88236316      8.00775696    -11.85876820
  O     11.49681246      9.78378172    -14.68141734
  H     14.65266346      9.43919427    -14.71590262
  H     13.85501161     14.14444503    -10.90303744
  O     12.79142629      9.34017847     -8.49145435
  H     12.57800540     12.59953652     -9.13698714
  H     14.15529298     15.58074120    -11.38820231
  O     13.48986417     10.96685088    -11.73867741
  H     13.33305597     12.16044957    -10.41244826
  H     12.87124869      7.39233960    -11.15565736
  O     11.38094581     11.59038772     -8.09110487
  H     15.37496248     10.86439528    -16.65227555
  H     11.77534868      6.59011853    -10.41232337
  O     16.73456093     13.12047002    -11.24799956
  H     14.30533473     11.22933219    -17.71603941
  H     17.32109626     11.84227275    -12.23324604
  O      9.60118078     11.24862660    -10.23799953
  H     12.38599893      9.40112006    -14.67821674
  H     18.55210029     11.08716756    -12.79161032
  O     13.96759093     12.82394682    -13.73055341
  H     11.16804216      9.70031253    -13.77736050
  H     11.61387046     11.59767857    -15.08206546
  O     15.77807220      9.52094438    -11.23639234
  H     13.75479042      9.35291337     -8.43428912
  H     12.05356194     12.46929477    -16.27137530
  O     14.20937099      7.42878453    -12.23991609
  H     12.56049386      8.67216195     -9.14808261
  H     15.82877034     11.37900922     -8.53715029
  O     14.27171887     14.66120335    -11.61305711
  H     12.64812340     10.50951599    -11.85911368
  H     14.93913346     12.55968042     -8.95631842
  O     12.11861491      7.47018499    -10.54105585
  H     13.62304891     11.56311566    -12.48870305
  H     15.09886060     11.69016411    -14.49178270
  O     17.60113191     11.05467765    -12.73660739
  H     11.21481171     11.68827365     -7.15761584
  H     16.42570813     10.95497952    -14.20029819
  O     11.82864445     12.50733674    -15.33377020
  H     11.87806300     10.75773620     -8.20237240
  H     12.19977666     12.28294218    -18.84457189
  O     15.85029194     12.32098233     -8.74039263
  H     16.55739365     12.84341189    -10.33629955
  H     12.12332488     11.05213833    -17.91133847
  O     15.67116270     10.97106963    -14.79991838
  H     16.02699112     13.73087497    -11.47576432
  H     15.75378665      9.42628275     -9.48619162
  O     12.54235235     11.92378873    -18.03042074
  H     10.14885918     11.40847501     -9.45543055
  H     16.25953541      8.85555799     -8.13956692
  O     15.62502933      9.45633392     -8.52190089
  H      9.11095342     12.05393718    -10.38851201
  H     12.31528425      8.85924349    -17.55808158
  O     11.55063461      9.44342021    -17.48039709
  H     14.00553109     13.59678909    -13.15749317
  H     11.34441067      9.48764461    -16.53617052
          69
 Energy    -248.30199918552023     
  O     11.87755515     13.34696238    -12.77973653
  H     11.05720528     13.83033077    -12.74547709
  H     12.37122057      9.46901603    -14.74157538
  O     20.16050702      7.83152216    -11.67591794
  H     11.69544937     12.45230649    -12.43648191
  H     14.98780272      9.78469478    -13.25563403
  O     17.64495167     11.45556811    -12.38539335
  H     20.51708582      8.25383166    -12.47639357
  H     14.63591050     11.28536515    -13.53766177
  O     13.62884626      7.99832028    -10.13250199
  H     20.89619999      7.41589306    -11.23336967
  H     13.90954762     10.12264092    -16.50746244
  O     16.06768941      7.27205247    -11.23723038
  H     17.54707900     12.39845186    -12.21226307
  H     12.52174237     10.26656509    -17.17342429
  O     18.05166258      6.43693406    -13.09688437
  H     16.75714867     11.14812180    -12.63482671
  H     16.95726931      9.95810087     -9.32438060
  O     13.74110495     12.45276265    -14.65446060
  H     12.75662756      7.82138458    -10.48172480
  H     16.36840291      9.90760585     -7.90401243
  O     17.20869923      8.11717519    -15.13023422
  H     13.72351759      8.96047969    -10.14266128
  H     21.41050841      8.65424290    -14.78605003
  O     17.98055991      9.30683408    -10.67020408
  H     15.25379687      7.40583321    -10.73169205
  H     20.25861631      9.55134853    -14.30484732
  O     15.61026807      9.83029967    -16.73164399
  H     16.67404951      7.98673833    -11.00085975
  H     15.31062651     13.32773983    -14.88418332
  O     17.48131690     12.00468558    -16.63167534
  H     18.82782631      6.78811700    -12.64592937
  H     16.46215335     13.89387913    -14.02642040
  O     12.28150266      9.05740104    -13.87415795
  H     17.33570756      6.50166271    -12.45082617
  H     17.07936911     14.91664602    -11.72657130
  O     15.12044220     10.69175600    -12.95108580
  H     13.02654899     12.80732057    -14.11019316
  H     15.86946450     13.95871853    -11.78457359
  O     12.98124939     10.37105432    -16.34466812
  H     13.36729258     11.81897248    -15.28052928
  H     14.19463791     12.73022016    -10.72890786
  O     16.27169478     10.33600275     -8.75137044
  H     17.75642404      8.89719939    -14.97292001
  H     13.45346457     13.65365327    -11.70619604
  O     20.98914063      8.98969626    -13.99839606
  H     17.54714246      7.43089451    -14.53559685
  H     18.44706316     10.84708015    -13.87860340
  O     16.21934288     13.65945519    -14.92867281
  H     18.76962158      8.81275818    -10.92426609
  H     18.43703273     10.99808737    -15.42308434
  O     16.76198501     14.11778857    -12.13932088
  H     17.93835253     10.08455758    -11.24575342
  H     11.83537858     10.18210922    -12.53388909
  O     14.26029592     13.57837678    -11.18287243
  H     16.20822537     10.58642564    -16.77266792
  H     12.39638275     10.78491421    -11.21532863
  O     18.77188881     10.45239158    -14.70070369
  H     16.11577402      9.11696209    -16.32274157
  H     14.85697285     10.70914592     -9.75323935
  O     11.66267531     10.83638509    -11.83861467
  H     17.05249883     12.64111260    -16.03055815
  H     14.50547901     10.75009750    -11.28229131
  O     14.13006923     10.80000934    -10.38788760
  H     17.77820537     12.49948590    -17.39044778
  H     15.20606295      7.68531428    -12.79261776
  O     14.86207337      8.02446441    -13.63031143
  H     13.08695325      8.53235679    -13.77071496
  H     15.60113387      8.00478663    -14.25254646
          69
 Energy    -248.30193435330037     
  O     13.51108866      9.43658104    -10.66021771
  H     13.86403424     10.02037615     -9.97587031
  H     15.91027134     10.20897874    -13.77690776
  O     11.52053370      6.18958248    -12.18372253
  H     14.26066519      8.94403816    -11.01870156
  H     13.26040329     14.82257345     -9.54965846
  O     11.74156173     10.96337272    -12.04243486
  H     11.35416763      7.03103035    -12.64690935
  H     12.30753948     15.61759577     -8.62567243
  O     14.62952315     11.13291272     -8.77727936
  H     10.91064847      5.55169301    -12.54415688
  H     15.36928649      9.05565423     -6.02524398
  O     15.75273417      7.91067361    -11.32243576
  H     12.33525859     10.37793807    -11.54312511
  H     13.97320647      9.27644244     -6.65499192
  O     12.99592201     15.06851949    -13.07655275
  H     12.33827054     11.50475954    -12.57707609
  H     11.62199508      9.29327997     -6.92399714
  O     12.23063669      7.19551314     -9.68782421
  H     14.89265130     10.48525951     -8.11198032
  H     12.24254398     10.69786051     -6.80422994
  O     13.82621855     12.40059774    -13.21702767
  H     13.82023961     11.56033032     -8.45898746
  H     14.04046971      6.85696095     -9.00356514
  O     14.58877949     14.87355229    -10.69302031
  H     15.31581496      7.32922538    -11.96374630
  H     15.00805879      7.66738536     -8.12396591
  O     10.39540032      8.43106177     -8.10637903
  H     15.62972590      7.53277609    -10.43930546
  H     16.23603452     11.60702600    -11.46844853
  O     11.17062501     13.88563772    -11.44800595
  H     12.26252368     14.70807976    -12.54469795
  H     15.35003958     11.91138838    -10.23614456
  O     15.19471689     10.30266812    -14.41533396
  H     12.62593649     15.74111617    -13.64106754
  H     11.29228912      9.40609378    -13.09737600
  O     12.44305409     14.76177363     -9.02406169
  H     12.65466132      8.01234891     -9.99500224
  H     12.00280000      8.51890150    -14.14396426
  O     14.90820237      9.09238495     -6.85925238
  H     11.95076016      6.72503616    -10.48361683
  H     10.27836794     10.04514472     -9.12751331
  O     12.31885672      9.79043103     -6.47920683
  H     14.41624414     12.36080345    -12.44912654
  H     10.66658490     10.80161733    -10.42821674
  O     14.97761306      7.01266640     -8.83265396
  H     13.60211917     13.32930256    -13.34739497
  H     13.62311089      8.19447671    -16.11319474
  O     15.64429747     12.26743041    -11.08730639
  H     15.10027890     14.06259325    -10.81069110
  H     14.17037729      9.02432980    -14.92887995
  O     11.26862923      8.53793497    -13.51501797
  H     14.18728990     15.06537419    -11.54984830
  H     18.00274087      9.93255200    -12.31875265
  O     10.37930585     10.92325932     -9.51638958
  H     11.01271847      7.89653042     -8.63442968
  H     16.66563909      9.28838724    -11.88504410
  O     13.56091174      8.30301814    -15.16812197
  H      9.68196864      7.85504264     -7.84427571
  H     14.07098076      7.03257697    -13.86909615
  O     17.06693930     10.10047234    -12.24188751
  H     11.15305417     12.92472364    -11.47948238
  H     13.38171769      6.23448099    -12.75257087
  O     14.24808696      6.48328924    -13.09437792
  H     11.45374340     14.12591079    -10.55634899
  H     11.52941901     11.80326819     -8.49969029
  O     12.22483546     12.19866547     -7.94969784
  H     14.69122434     11.07945230    -14.13422284
  H     12.27787540     13.13116739     -8.18995254
          69
 Energy    -248.30181158160372     
  O     17.72300605      9.68120719    -14.37808943
  H     18.14239060     10.55084476    -14.36618743
  H     11.90255605     11.59382021     -9.97257197
  O     14.40184811      7.68471544     -8.77442194
  H     17.13437229      9.59762390    -15.13937299
  H     18.28793027      4.72229350    -13.19103183
  O     12.44404335      8.18494677    -10.79456437
  H     14.48818323      6.99097791     -8.12627168
  H     16.88359563      4.78436559    -12.57503496
  O     15.82212983      9.02168929    -16.28694459
  H     15.05766769      7.50430387     -9.47128407
  H     17.05920521      7.18233151    -10.84777332
  O     19.60292396      7.83594686    -13.53470077
  H     13.01527492      7.92776185    -10.06094026
  H     16.00704917      8.22006401    -11.33310894
  O     20.53169273     10.10833520    -12.18657084
  H     12.33418548      9.13977262    -10.71163147
  H     19.37388921      4.87999664    -15.55316431
  O     18.82639210      6.81374014    -11.07757447
  H     15.59941664      9.22109789    -17.19177970
  H     18.16880604      5.75370897    -15.12095826
  O     12.64624277      6.93243772    -13.19277965
  H     14.99077842      9.06106087    -15.77839069
  H     18.06397038     12.73639945    -12.47758575
  O     15.01843715     13.54402278    -13.06453723
  H     19.55754804      7.00970393    -14.03126440
  H     17.41037112     12.44940643    -11.10842978
  O     13.58569759      9.10507379    -14.80860825
  H     18.91001481      8.41548661    -13.88618129
  H     16.32398020      7.24622268    -15.73303082
  O     13.74347095     11.13812860    -12.92214594
  H     20.24937788      9.90410928    -11.28821732
  H     16.07530521      6.22978483    -14.58745348
  O     12.51203104     11.00898740    -10.41407991
  H     20.41171922      9.28994328    -12.68910690
  H     16.60346393      9.68699300    -12.97969690
  O     17.80631211      4.59796356    -12.36302538
  H     18.54452354      5.92287164    -11.33189327
  H     15.21233814     10.18045045    -12.46461897
  O     16.11689250      7.38968320    -10.84266182
  H     19.12669853      7.22265336    -11.90341171
  H     19.76591821     11.34781033    -13.15075494
  O     19.04167610      5.41855476    -14.84073750
  H     11.81032645      6.50901362    -13.37113082
  H     19.89302735     12.49500565    -14.18071921
  O     17.41877237     13.07395632    -11.84470565
  H     12.55463114      7.37517229    -12.33017863
  H     16.80859480     10.50231610    -10.82076202
  O     16.60140610      6.39371066    -15.38281803
  H     14.90187305     14.48578186    -13.15284512
  H     17.97945517     10.34082202     -9.82162906
  O     16.01678538      9.71002770    -12.21272510
  H     15.87085103     13.42071224    -12.61322113
  H     14.31309966      6.07109597    -13.11916242
  O     19.25792366     11.94428540    -13.73045388
  H     13.54300061      9.86572595    -14.21195727
  H     15.52862026      6.35166450    -12.22540751
  O     17.21927144     10.89397686    -10.03317593
  H     13.25114530      8.35048696    -14.31092298
  H     19.97902049      8.96706381     -8.90939329
  O     15.23889053      5.83216291    -12.98842784
  H     13.24258104     11.15042406    -12.09713368
  H     19.25358256      8.25264364    -10.06850975
  O     19.44978244      9.12443926     -9.68812011
  H     14.13976020     12.01572868    -13.03457306
  H     15.56951225     10.73207005     -9.13352822
  O     14.66737024     10.53480472     -8.85066147
  H     13.28811407     10.91919129     -9.83126775
  H     14.62990780      9.58408410     -8.68726098
          69
 Energy    -248.30145883147731     
  O     14.57821808     11.83228611    -12.00221193
  H     15.25071035     11.59558420    -11.35363557
  H     16.28442251      6.32576778    -16.26835684
  O     16.58475538      5.94727989    -11.11939425
  H     15.00853507     11.75667123    -12.86616171
  H     18.68781334     10.22662353    -12.79107367
  O     19.05286082      7.08078984    -11.51502590
  H     16.00882913      5.31212564    -10.66956707
  H     18.82938191      9.02371231    -11.81265652
  O     14.15583009     10.52823158    -16.50964673
  H     16.17628907      6.81813705    -10.99194966
  H     15.97265380      9.53212922    -13.89511967
  O     12.23038681      5.93549651     -9.68594818
  H     18.22424910      6.60554573    -11.33036880
  H     15.78208678      8.46643337    -12.79912439
  O     12.86122448      6.83087929    -13.51500585
  H     19.72021960      6.69108075    -10.95602268
  H     11.45971861     11.46368012    -12.00263196
  O     15.40462301      8.38763307    -10.98525705
  H     13.62046911     10.95349386    -17.17339280
  H     12.98486321     11.19901967    -12.05865977
  O     18.47935697      8.96795728    -16.34005769
  H     13.54174415     10.13049265    -15.86332389
  H     14.26042897      3.80897823    -12.96838002
  O     11.47357188      4.80770313    -12.24932597
  H     11.70018424      6.07373615     -8.90475940
  H     13.93365640      2.29876127    -13.00970919
  O     18.41997709      7.17097665    -14.23299245
  H     12.34358087      6.80549935    -10.10250066
  H     12.65384280      8.48644525    -14.37228604
  O     15.73613123      8.18130479    -16.48061910
  H     12.23274864      6.15608065    -13.21746102
  H     12.35283060      9.90284119    -13.83407793
  O     16.66414444      5.59112832    -15.76935748
  H     13.71246095      6.38178507    -13.59667541
  H     15.75519776      5.48402367    -12.77482065
  O     18.64080905      9.96785478    -11.86352946
  H     15.75091398      9.22034674    -10.64313545
  H     15.68247929      5.27882588    -14.32764995
  O     16.05211094      8.58597119    -13.71657974
  H     14.44021723      8.40837904    -10.93637969
  H     13.82812041      4.86946083     -9.86093962
  O     12.10869625     10.77779744    -12.13194890
  H     17.57605910      8.76421744    -16.61429249
  H     14.30607830      3.77027347    -10.82119012
  O     13.73906946      3.10635516    -12.54170837
  H     18.70246895      8.27465732    -15.70183621
  H     18.63192751     10.32217701    -15.26835192
  O     12.57794973      9.41383214    -14.63345643
  H     11.58072858      5.09511480    -11.33462849
  H     19.33973342     11.62706425    -14.83350111
  O     15.17801613      5.22523146    -13.50337529
  H     12.12287622      4.10227490    -12.37204724
  H     12.72558463      7.75037203    -11.98915692
  O     14.59922763      4.34020672    -10.09923051
  H     18.83308918      7.01639537    -13.37743920
  H     12.35746796      9.12739341    -11.37319115
  O     18.64003828     11.02481111    -14.59419675
  H     17.61330432      7.67659026    -14.04244717
  H     16.96640498     11.16800941     -9.47950275
  O     12.65199939      8.23534091    -11.15132024
  H     15.74888931      8.18803294    -15.51121953
  H     17.37512025     10.56963753    -10.84704874
  O     16.61291352     10.81431579    -10.29101517
  H     15.16385704      8.91739735    -16.72390812
  H     15.38466921     11.16425038    -15.22763281
  O     15.85962049     11.31412408    -14.39984234
  H     17.43043360      5.96579093    -15.31285656
  H     16.80910167     11.35102910    -14.57404760
          69
 Energy    -248.30132887955199     
  O     12.67084570     12.45023733    -13.50893104
  H     12.80002755     12.24848347    -12.56996565
  H     17.86497582     11.45531562    -16.84340449
  O     19.55516906      6.80265543    -11.27850212
  H     12.47438369     11.61148869    -13.93834625
  H     13.25729640      9.47681470    -14.57847366
  O     18.58753916     11.14458987    -12.42670980
  H     18.73057593      6.34338395    -11.52263018
  H     11.76275533      9.37380641    -14.96090326
  O     15.54518115      7.95721888    -11.40139522
  H     20.03514184      6.21943469    -10.69640261
  H     15.47566275     10.36879881    -13.37076277
  O     13.97353586      9.33408097     -9.52379478
  H     18.72822381     12.06472343    -12.17819881
  H     15.67588193     11.82705051    -13.86111412
  O     17.19369773      5.75283949    -12.11704161
  H     17.67912707     11.11276296    -12.77319567
  H     13.21698554     11.67396902    -17.67677060
  O     14.88749979     13.06815689    -14.96116390
  H     16.39485049      8.37088652    -11.18814995
  H     13.32943433     10.85950969    -16.36978170
  O     16.91337837      8.36769898    -15.43113582
  H     14.90926495      8.30159848    -10.76139801
  H     16.26243615     11.40049855     -9.54005142
  O     18.01573691      9.07932288    -10.68648557
  H     13.50397051      9.09058080     -8.73029132
  H     17.00610323     10.05331269     -9.42990400
  O     16.51112963     10.45536700    -17.27804158
  H     14.79046845      9.78413314     -9.23826250
  H     19.91135453      8.10556718    -14.32503413
  O     17.85443687      5.79107829    -14.91971317
  H     17.24746464      5.71018910    -13.07959082
  H     20.01222025      7.13595767    -13.11710265
  O     18.64972692     11.92923438    -16.51340543
  H     16.49163786      6.37874463    -11.89666664
  H     16.61210308     13.75069559    -14.79051707
  O     12.52551204      9.94344887    -15.01922583
  H     14.63881393     12.62029012    -15.77676951
  H     17.98806053     13.23186457    -15.25264291
  O     15.98370533     11.17259369    -13.22059476
  H     14.09946503     13.03237090    -14.39424171
  H     18.79966403     14.71663850    -11.84700093
  O     13.83933075     11.36594822    -17.02184342
  H     17.68823733      8.86639704    -15.13479659
  H     18.04420083     13.96028424    -12.96432077
  O     16.31630444     10.58893541     -9.01655145
  H     17.14981758      7.43332231    -15.37701725
  H     13.38595180     10.95905536    -10.45968614
  O     20.02335911      7.17679575    -14.08148484
  H     18.64197695      8.35476141    -10.80007268
  H     14.09474222     12.29821351    -10.71580967
  O     17.56277243     13.84271436    -14.63938682
  H     18.31093763      9.80751233    -11.25126883
  H     19.18432347     10.50756209    -15.39596123
  O     18.30054555     13.92441394    -12.02440361
  H     15.58632806     10.72782592    -17.27161512
  H     19.13766118     10.25822968    -13.87735606
  O     13.26960746     11.82116387    -10.87340704
  H     16.56313283      9.64272459    -16.75747908
  H     15.86154848     12.11008162    -11.63803297
  O     19.23422590      9.81061640    -14.73042520
  H     18.07683302      5.03053886    -15.44969143
  H     16.70671681     13.26628971    -11.09534588
  O     15.97051331     12.68846895    -10.86749562
  H     18.69525009      6.21662185    -14.66724207
  H     15.43172814      8.58939492    -14.46261634
  O     14.68519593      8.77104174    -13.87261811
  H     19.13460062     12.22188743    -17.28111813
  H     14.90503727      8.40376975    -13.00483555
          69
 Energy    -248.30125478612260     
  O     -0.53426257     -0.99552787      5.70110219
  H     -0.40399439     -1.00806487      6.64640045
  H     -4.58262601     -1.18554478      3.47207245
  O      3.38433345      1.31920850     -0.91657490
  H     -1.21439121     -0.31990236      5.52555167
  H     -3.02703637      4.08822754      0.36309057
  O     -2.26366297     -3.02505857      4.61257319
  H      3.56625466      0.37143633     -0.93151757
  H     -2.62721600      2.62756238      0.04254198
  O      0.64569085      1.09141328     -0.31580660
  H      2.41944231      1.38664812     -0.89639681
  H     -0.49059381      2.12775731      2.69295916
  O      3.55903152     -1.51610544     -0.46127967
  H     -1.77906152     -3.69893009      4.12154158
  H     -1.89460893      2.58870176      2.15862648
  O      3.85320709     -0.66635155      2.12501172
  H     -1.61171653     -2.41712306      4.98191930
  H     -2.23609865      0.56191134     -1.15302579
  O     -5.00709821      1.58687955      1.79988281
  H      0.80315625      1.28630294      0.61740230
  H     -1.02575986      1.46396564     -0.89842065
  O     -2.99132832     -3.71831675      1.06524620
  H      0.65856843      0.12814087     -0.41000409
  H     -2.61397615     -0.93030826      2.45492571
  O     -2.42578369      0.85111945      5.12867139
  H      3.66861489     -1.29088392      0.47991248
  H     -1.71792549      0.33899739      2.31289942
  O      3.92238345      2.15954110      1.61400995
  H      4.26153652     -2.12291830     -0.68003431
  H      0.59414072     -2.03118310      0.32345501
  O     -4.86665571     -0.80892167      0.37379162
  H      3.17677541     -0.76782443      2.80573319
  H      1.68945355     -1.72189403     -0.71150792
  O     -4.13692595     -1.90466598      3.00499793
  H      4.01022602      0.28366877      2.05416036
  H      1.16726776     -1.39825985      3.12933582
  O     -2.91682400      3.22609951      0.75464917
  H     -4.36475197      2.21756784      1.45769524
  H      0.91568405     -0.76836322      4.50740451
  O     -1.44468221      2.07936203      2.84420428
  H     -5.02285452      0.84641437      1.17638558
  H     -5.09989942      0.91876812      3.37775832
  O     -1.97742104      1.48456990     -1.08253526
  H     -2.72276961     -3.09386639      0.38169601
  H     -5.92399702      0.62799848      4.65665790
  O     -1.81580002     -0.58087335      2.04074080
  H     -3.53586183     -3.21559365      1.68399787
  H      2.14477128      1.99974558      2.20369712
  O      0.73385207     -1.69554816     -0.57539241
  H     -2.09233359      1.41480638      4.41589549
  H      1.33222152      0.86804525      2.88497898
  O      1.50862778     -0.73346039      3.74724829
  H     -3.36056325      0.71225566      4.94002763
  H     -1.78416554     -4.52349656      2.04985800
  O     -5.10696265      0.41603000      4.21370484
  H      4.58661059      2.84105831      1.66481788
  H     -1.00521599     -5.73865997      2.61311391
  O      1.24820055      1.68701522      2.37483877
  H      3.80680455      1.94572599      0.67066286
  H     -0.52035784     -1.80497353      2.10911376
  O     -1.08876930     -4.79157057      2.67800258
  H     -4.77909113     -1.30378698      1.19730378
  H     -0.10144673     -3.30039994      2.26395919
  O      0.22485079     -2.42311364      2.03189564
  H     -4.11156350     -1.06841905     -0.16449911
  H     -1.24973048     -1.61540473     -0.85190500
  O     -2.14837549     -1.42195392     -0.55970180
  H     -3.55916575     -2.34504790      3.65121414
  H     -2.05011254     -1.02115593      0.32109267
          69
 Energy    -248.30101717208507     
  O     -0.66386780      0.45416214      8.12426787
  H     -1.13801567     -0.34919786      7.84079932
  H      0.83987817      3.56388396      2.22467072
  O     -5.98053859      1.09083137      1.67932678
  H     -0.27338778      0.26357921      8.97252607
  H     -0.30593574      3.50941389      4.28829825
  O     -5.24173686     -1.36434433      2.70902131
  H     -5.95373405      1.68940828      2.43174555
  H     -0.55845120      2.18101133      5.02804342
  O     -0.66344016     -0.78922810      1.64832495
  H     -5.93100326      0.19777783      2.05358673
  H      1.10487560      1.80087758      0.82023172
  O     -3.14071119     -2.04231721      0.92816938
  H     -4.64350859     -0.84026697      3.26508973
  H     -0.33922838      2.31124148      0.66277900
  O     -1.23289074     -1.42329311      4.27140652
  H     -4.65663683     -1.76616071      2.05423868
  H     -1.92337541      1.77161848      7.56592668
  O     -1.96406408     -1.66440611      7.08077847
  H      0.27323942     -0.61425285      1.49407628
  H     -2.04831054      2.76855738      6.39978272
  O     -4.81444213     -1.55604040      7.09965903
  H     -1.12886678      0.02570037      1.40831447
  H      2.00329667      2.38175939      3.57619660
  O     -4.97148305     -3.08526387      4.89330470
  H     -3.52019877     -1.34756622      0.37479721
  H      1.70689001      1.12536593      4.41413009
  O     -2.00350160      1.51971879      0.82215081
  H     -2.23952807     -1.74848176      1.11784660
  H     -3.87196616      0.43401789      4.95798510
  O      1.96783830      0.14531996      1.36745324
  H     -2.05580125     -0.90586647      4.29532218
  H     -3.24051153      0.95837628      3.64917612
  O      1.02847340      3.99002825      3.08028556
  H     -0.89035414     -1.29940797      3.37406256
  H     -4.89897677      0.66373528      0.34955642
  O     -0.95927241      3.03766885      4.82096855
  H     -1.69799283     -1.81534405      6.16728184
  H     -4.69946192      0.40968309     -1.16200319
  O      0.57343597      2.60528840      0.78744357
  H     -2.92928365     -1.67072085      7.09781716
  H     -4.09294353      1.60181389      6.68191859
  O     -2.54972358      2.34568433      7.10752515
  H     -5.29193436     -1.97775963      7.80971728
  H     -4.95043427      0.28313406      6.68601070
  O      2.28162689      1.46880751      3.71636506
  H     -4.91071788     -2.13396746      6.32012113
  H     -6.27863299      3.40584936      4.39300651
  O     -3.42332771      0.15391561      4.15013677
  H     -5.34418676     -2.56640286      4.16889883
  H     -5.49422250      2.18559537      4.91632240
  O     -4.27001373      0.32930638     -0.31418547
  H     -4.19404787     -3.50257037      4.49844104
  H     -2.09063797     -3.09747235      3.71690870
  O     -4.86293919      1.15813526      6.28788904
  H     -2.38939578      2.02067362      1.55626982
  H     -2.89691537     -3.43304694      2.46363871
  O     -5.65919282      2.72956949      4.12872301
  H     -2.73984014      1.17102249      0.30588194
  H     -0.16963786     -0.12699711      5.08858097
  O     -2.70789027     -3.74458769      3.35550428
  H      2.14707053      0.56607024      2.22773270
  H      0.11808444      0.58431339      6.43807576
  O      0.29332710      0.61982075      5.48939302
  H      2.79942571     -0.19322678      1.04714881
  H     -3.91176568      2.90888291      3.41652181
  O     -3.04269065      2.69617979      3.05604801
  H      1.43242202      4.83120049      2.88479786
  H     -2.36479067      2.91549679      3.71250636
          69
 Energy    -248.30069210525497     
  O      1.44795171    -14.40683171     -0.37695491
  H      1.04591412    -14.77367186     -1.15930519
  H      7.77390311    -12.86720721      2.73233381
  O      7.54355441    -10.70612653      0.41255655
  H      0.76416018    -13.87920963      0.07481430
  H      5.38537132    -14.08786197      5.51351432
  O      4.82609202     -9.69114485      6.59089892
  H      8.07100020    -10.47008911     -0.34565737
  H      4.96169641    -14.59247033      4.12425605
  O      4.11634367    -11.69325658      3.71090469
  H      6.62048572    -10.48725749      0.19182211
  H      2.76165225    -13.08945108     -0.11536240
  O      1.58850038    -10.58104132      1.51375889
  H      4.84782864     -9.37267933      5.67321276
  H      3.93576775    -12.92597557      0.87379152
  O      7.46949919     -9.68018197      3.05692538
  H      4.99278134     -8.93231481      7.14481157
  H      4.54167023    -13.05591774      2.78184133
  O      2.53209707    -15.40694406      2.05766926
  H      4.43230828    -10.78217375      3.66407825
  H      5.75926368    -13.72497611      2.07045429
  O      1.39218465    -11.45604969      4.08718421
  H      3.17188985    -11.66191749      3.91256786
  H      1.90273475    -14.37185220      6.48917306
  O      4.95398797     -9.05631619      3.87585098
  H      2.19073933    -11.23257792      1.12771358
  H      3.36560931    -14.12348368      6.09929218
  O      8.23617990    -12.08291303      4.41834480
  H      1.47073543    -10.81342293      2.44947893
  H      2.92922757     -7.64120448      1.33573961
  O      0.67227221    -15.69957426      5.82359638
  H      7.82977886    -10.41740697      3.56428537
  H      2.63520579     -9.13602325      1.59038845
  O      7.40206934    -13.13858647      1.88408387
  H      7.55623747     -9.93816852      2.13041867
  H      3.62532059    -16.25505362      4.84262412
  O      4.89185720    -14.78718151      5.06680715
  H      2.17517580    -15.24965701      1.17547202
  H      2.71890379    -16.48326553      3.62096826
  O      3.36299281    -12.43929558      0.26867134
  H      3.37788196    -14.93803646      2.10123786
  H      5.65448256    -11.45101391      6.34691496
  O      4.82363946    -13.84744603      2.29207901
  H      1.53828669    -11.23015515      5.01849296
  H      5.22047916    -12.14256382      5.06429442
  O      2.63871846    -13.76248994      6.61805642
  H      1.05632742    -12.36090944      4.03471036
  H      2.40172514    -11.97798713      6.74649475
  O      3.32972171     -8.45648849      1.62814664
  H      4.42635229     -8.71150358      3.14601226
  H      3.06819712    -10.57602757      6.70944628
  O      2.84170980    -16.73481634      4.54629193
  H      5.86726458     -9.17547381      3.56628798
  H      0.15346574    -11.96495765      1.16802343
  O      5.85553589    -12.21501510      5.79473606
  H      8.97745256    -12.32827966      4.96650370
  H     -0.15805375    -13.24030323      1.97948606
  O      2.22461613    -11.03114955      6.62457550
  H      7.44183237    -12.15419509      4.97249402
  H      4.39113475    -10.92867877     -0.09241150
  O     -0.21319108    -12.85323405      1.09467697
  H      1.41499995    -16.18203548      5.41715146
  H      4.46803694     -9.48550317      0.45063359
  O      4.95057555    -10.14107650     -0.06487511
  H      0.17070545    -16.33485030      6.32669637
  H      0.40213945    -14.57463836      4.34670289
  O      0.54833216    -14.05192360      3.54905833
  H      7.49242038    -12.37177627      1.30367146
  H      1.24947369    -14.50432882      3.05930979
          69
 Energy    -248.30049648732802     
  O     -3.24685323      9.40400248     -7.69501799
  H     -4.03007918      9.37416387     -8.26707681
  H     -2.25363638     10.09302647    -13.31307075
  O     -5.35862473      8.97273787    -13.06002854
  H     -3.38865577      8.71899811     -7.02810736
  H     -1.45574081      6.71619562    -12.81169078
  O     -5.57505945      9.58334139     -9.18534061
  H     -4.91194127      8.53891332    -13.79601962
  H     -2.72224479      6.63020047    -13.68352403
  O     -7.01559784     13.09004839    -11.00988894
  H     -4.67423852      9.48826671    -12.60603293
  H      0.69487768      7.92538218    -11.86854766
  O     -6.77791609      8.30985913     -6.07510268
  H     -5.35081461     10.39084306     -9.66499117
  H     -0.70861203      8.29477543    -11.34208461
  O     -3.90998037     12.07498224     -7.34028903
  H     -6.07376587      9.86218398     -8.40670318
  H     -4.20153815      6.64619537     -6.74257640
  O     -8.34446389      7.63547903     -8.24885449
  H     -7.18270984     12.24605839    -11.47141261
  H     -3.75867417      6.83610014     -5.27287160
  O     -3.55012848      7.85907051    -14.93136219
  H     -7.31747445     13.78646425    -11.58597895
  H     -6.70965134      6.06582261    -10.01404913
  O     -5.94855625      7.42643842    -10.85650923
  H     -6.72039140      9.27147807     -6.17038674
  H     -7.34660547      4.65849931     -9.93302418
  O     -7.43706734     10.65442264    -12.06539433
  H     -5.87296613      7.98922667     -6.00291463
  H     -5.73224800     11.47781012     -6.92131820
  O     -4.50587806      5.56204066     -8.04881529
  H     -3.55624139     11.17015021     -7.37590632
  H     -7.20687925     11.39574156     -7.42974246
  O     -1.72272073      9.64454845    -13.98669196
  H     -3.33701985     12.57298477     -6.76268595
  H     -4.38161508     12.28894713     -9.18133551
  O     -2.23444525      6.17372746    -12.98746498
  H     -7.86148953      7.83439100     -7.43341464
  H     -5.38611625     12.57992256    -10.35598940
  O     -0.20780580      8.06695154    -12.14270479
  H     -8.01917724      6.78060548     -8.55029185
  H    -10.00962117      9.35883249    -10.20882641
  O     -4.03878568      7.31255672     -6.04970880
  H     -2.87820493      8.52616510    -14.70103516
  H     -8.80684072      8.83968433     -9.39609743
  O     -7.03332373      5.38406686     -9.39897516
  H     -3.52748415      7.76228844    -15.87969836
  H     -8.64988372     11.13146362     -9.13454339
  O     -6.53718306     10.95118791     -6.88599115
  H     -5.83179368      7.84907328    -11.71679893
  H     -7.92940530     12.45628894     -9.44015082
  O     -4.59134691     12.09184266    -10.10186770
  H     -5.91003027      8.13640092    -10.19713358
  H     -2.44180776      7.76691021    -10.17087372
  O     -9.08557776      9.52031495    -10.03414399
  H     -7.94912210     10.13549945    -11.43094197
  H     -2.18087889      8.91968682     -9.17070795
  O     -8.29705178     11.93041321     -8.72069638
  H     -6.82282322     10.05646253    -12.50619521
  H     -4.29855420      6.67396673    -10.67595017
  O     -1.95072144      8.59507201    -10.04889960
  H     -5.40525973      5.39748679     -8.35590062
  H     -3.03068473      6.10929001    -11.38291555
  O     -3.41372607      6.31572709    -10.51795275
  H     -3.97986792      5.69379035     -8.84908113
  H     -2.84397750      9.77278678    -11.18021857
  O     -3.30579679     10.36132618    -11.79201217
  H     -1.04748488      9.16587756    -13.49009334
  H     -3.67110142     11.08759387    -11.26927637
          69
 Energy    -248.30045195597728     
  O     17.39008924     11.48333199    -17.39424739
  H     16.59473730     11.88673826    -17.03148439
  H     20.68417441      9.08149583    -15.66642149
  O     15.94007881      5.99622199    -15.47818263
  H     18.17035908     11.86549564    -16.96178286
  H     17.28826854      8.41751161    -16.49403879
  O     18.22009386     13.12536247    -10.87166995
  H     16.40214624      6.20917420    -16.30317203
  H     17.43480064      9.96165627    -16.40509242
  O     19.56706021      8.29856491    -14.44641795
  H     16.61715826      5.96240797    -14.79450184
  H     15.12480159     12.16555298    -15.23084512
  O     15.42748987      8.38641816    -19.38756588
  H     18.41593358     12.94574963    -11.80129539
  H     14.37970269     12.94564937    -16.33581246
  O     16.51892259     10.00433316     -9.82792615
  H     17.26250667     13.03781881    -10.78982384
  H     17.25589210      7.24361029    -12.24931872
  O     15.49469344      9.18546503    -13.91696380
  H     19.59684639      8.78754792    -13.61145954
  H     16.32562458      8.44216061    -12.52236535
  O     18.46123697     12.00497433    -13.46550650
  H     18.81593679      8.64561447    -14.95642061
  H     13.93733214      8.95338038    -16.62214325
  O     18.11049198      6.09555853    -13.54328009
  H     14.93763315      8.86036514    -18.69276787
  H     14.35699500     10.42219060    -16.90299484
  O     13.74462166      7.56546920    -15.30486294
  H     14.79466629      8.15788634    -20.06299706
  H     19.82946644     11.15763906     -8.88658278
  O     17.21840398      7.03497197    -17.69112652
  H     16.56037012      9.22074897    -10.39059328
  H     18.93781544     11.79581746     -9.98048873
  O     21.07574210      9.62452596    -16.36837414
  H     17.43198134     10.22457366     -9.60428702
  H     18.37578643      9.11142606    -11.96036485
  O     17.39350067      9.15395018    -15.87685640
  H     14.75552540      8.66551806    -14.25447404
  H     19.37120437     10.03827730    -11.22257214
  O     14.91355198     12.17010692    -16.17834652
  H     16.17484395      9.17300183    -14.61017902
  H     15.76309685     11.47246975    -10.41514242
  O     16.89994398      8.04554763    -11.84931452
  H     18.70798945     11.17715263    -13.03112634
  H     14.76732868     12.63428156    -10.18648823
  O     14.12158883      9.58863579    -17.32464896
  H     17.50170058     11.98713026    -13.57803578
  H     20.11728348      8.70315507    -17.84673571
  O     19.23103918     10.94881303     -9.59818576
  H     18.63663088      5.30833990    -13.42141019
  H     19.07645267      8.83938743    -18.98065643
  O     19.17075939      9.65092080    -12.08303336
  H     18.70356443      6.77005114    -13.91179272
  H     15.50833588     10.91357949    -13.59907436
  O     15.45359577     12.32456199    -10.77159313
  H     14.49299351      6.94477519    -15.38260468
  H     15.47531477     12.11490722    -12.61126959
  O     19.56755707      8.19297713    -18.44863782
  H     12.95987558      7.03861900    -15.18335559
  H     19.34704859     12.13971172    -15.10336775
  O     15.62489826     11.87491815    -13.53385340
  H     16.59866567      7.38687079    -18.34367513
  H     20.20189044     11.35061730    -16.13423118
  O     19.64248430     12.12877060    -16.02408036
  H     18.10982716      7.29342926    -17.97484787
  H     17.69373262     10.59918355    -18.98038018
  O     17.82887333      9.96192899    -19.69636051
  H     22.01768605      9.47042762    -16.34039882
  H     17.00338671      9.46676913    -19.75052698
          69
 Energy    -248.30035711281437     
  O     15.62206950      6.89201614    -13.71627540
  H     16.34808714      7.06094603    -13.10003026
  H     18.69205580      8.26629160    -13.34832630
  O     17.02147915     10.27035813    -10.98589697
  H     14.82373899      6.74713365    -13.19250038
  H     15.25175828     12.57613940    -15.20811166
  O     16.94741657     11.78557835    -14.78214030
  H     17.70992072     10.70173632    -11.50767752
  H     14.16011749     11.88985574    -16.04637533
  O     13.25558915      7.61058690    -17.07503896
  H     16.17083518     10.59705517    -11.31400783
  H     15.40554074      8.64735459    -14.18005225
  O     13.63169902      8.00102790     -8.77928624
  H     16.46900463     10.96168534    -14.60011211
  H     14.84817444      9.73460122    -15.15491953
  O     13.29630564      6.69920187    -12.20935447
  H     17.66357574     11.81076519    -14.13942900
  H     11.64851649     11.02289583    -13.40057844
  O     14.57851603     10.94704561    -12.06767676
  H     12.64897123      7.16868029    -17.66319963
  H     10.24190638     10.39949318    -13.51274813
  O     16.96770986     10.48474108    -17.32016605
  H     12.83349050      7.62534691    -16.19742714
  H     16.65328687      7.16571684     -9.19483690
  O     14.02021541      5.49694971     -9.76190792
  H     13.17892937      8.49125868     -9.47853507
  H     15.90998548      5.93206527     -9.73751072
  O     18.24762639      8.05033041    -16.58788485
  H     14.49352411      8.42133152     -8.66584459
  H     12.46089580      7.24872842    -13.84419677
  O     15.90722049      6.70224283    -16.44373517
  H     13.09366268      7.56324984    -11.82358007
  H     11.82555246      8.59617164    -14.24211428
  O     19.10157559      8.86374247    -13.98819843
  H     13.50106570      6.12168595    -11.46376142
  H     19.79892360     11.65552204    -12.69004969
  O     14.31481325     12.62677894    -15.43820284
  H     14.80147286     10.44250339    -12.86905995
  H     19.06154124     10.42362676    -13.26965277
  O     15.27262862      9.59488429    -14.29854677
  H     13.99404026     11.65607824    -12.35560650
  H     17.38023628      8.53446199    -11.65514364
  O     11.15726907     10.18864134    -13.34121187
  H     17.13647484     11.06933788    -16.57000242
  H     17.43349482      7.05964462    -11.19453087
  O     16.78157973      6.34163228     -9.68117044
  H     17.46286489      9.67649061    -17.13621203
  H     16.60513084      9.49601258     -9.41297595
  O     12.13938379      7.75749040    -14.59868879
  H     13.64485823      4.81529552     -9.21080017
  H     16.75305251      9.39083944     -7.88109331
  O     18.93364849     11.27234115    -12.80444396
  H     13.82874324      6.34855580     -9.32790280
  H     13.39472096      9.79465891    -11.33656462
  O     17.59572257      7.64083647    -11.95169887
  H     17.41654858      7.54291171    -16.57508068
  H     11.95101959      9.47345717    -11.73710812
  O     16.31020487      9.00120272     -8.63148925
  H     18.84868122      7.57196748    -17.15365097
  H     13.21349971     12.63112617    -14.14315363
  O     12.65058775      9.21084928    -11.12822674
  H     15.03626142      6.95798479    -16.76605105
  H     12.35949966     13.46282303    -13.15565041
  O     12.63490333     12.57333739    -13.35967295
  H     15.81366626      6.60693864    -15.48386450
  H     15.19006446     10.25998375    -17.18140533
  O     14.27759699     10.22001828    -16.85015661
  H     18.81587700      8.58099262    -14.86498809
  H     13.90234597      9.36678447    -17.09512514
          69
 Energy    -248.30022098204500     
  O     16.24740213     11.46473213    -10.05136527
  H     15.44538824     10.93286274     -9.99960689
  H     13.94996185      6.71573878    -14.80026315
  O     12.87097687      6.18137580    -10.90650952
  H     16.97736348     10.83999723     -9.95995636
  H     16.10505800      6.12461271    -14.95891478
  O     17.99424445     10.00714031    -12.89772560
  H     13.31070368      6.54770534    -10.12997723
  H     17.44191300      5.97802537    -15.72101292
  O     17.45057744      9.00461590    -15.40102771
  H     12.36978369      6.90322473    -11.30623157
  H     16.40547496      9.14251065    -12.57875710
  O     16.72680068     12.37807206    -12.65079839
  H     17.99556226      9.71445617    -13.81799299
  H     15.93110920      7.70526359    -12.21486659
  O     14.30686540      7.44710808     -8.77097539
  H     17.63977996     10.91170931    -12.87550652
  H     14.63102418      9.33504799    -11.10902564
  O     14.97701324     10.20489805    -15.92336137
  H     17.71969797      8.96589069    -16.32972092
  H     14.03551256      9.02125592     -9.71584626
  O     14.30583159     12.35422731    -14.23545413
  H     17.30145653      8.08781545    -15.13190107
  H     13.98532248      3.60772378    -12.32111737
  O     14.99368750      6.02789396    -17.75487172
  H     15.90859728     12.44062339    -13.15441846
  H     13.67592713      5.07640824    -11.93967195
  O     16.59342790      5.98116921    -12.15529159
  H     16.48574275     12.22708341    -11.72430525
  H     12.36961543      8.48865760    -12.92726120
  O     13.64317775      8.40456503    -14.26233204
  H     14.23758025      7.26493188     -7.83780579
  H     12.53498748      8.96090070    -11.46560229
  O     14.29193445      5.83852634    -15.02769017
  H     15.24107306      7.31733210     -9.01693715
  H     17.40596423      7.93591385     -9.76718503
  O     17.05955346      6.27418080    -14.88564729
  H     14.79328842     10.99970846    -15.40716108
  H     16.91349054      6.62276475    -10.41603290
  O     15.62638004      8.60609686    -12.38487045
  H     15.85192318      9.87649925    -15.66660837
  H     17.98542431      4.90680061    -18.07543500
  O     14.03355226      9.67818762    -10.42352040
  H     13.69734237     12.03241165    -13.54844874
  H     16.70869076      5.70480565    -17.71031480
  O     14.20734832      4.51109427    -12.52983351
  H     14.00081463     13.22431031    -14.48306302
  H     18.35716507      9.63523074    -11.19584103
  O     11.89917637      8.57632107    -12.08424487
  H     14.60692586      5.88003685    -16.88147640
  H     19.26502170      9.68440764     -9.94790171
  O     16.86117308      7.15421916     -9.61072720
  H     14.85156914      6.95912287    -17.96706771
  H     14.85388557      9.38346277    -17.51402177
  O     17.67216897      5.65118505    -17.56922350
  H     15.82940886      5.39256454    -12.21633311
  H     14.41433005      9.30434672    -18.99201604
  O     18.37509813      9.49161143    -10.23414665
  H     16.97330896      6.02527628    -13.04364884
  H     17.88145705      7.52519081    -18.01148209
  O     14.89719293      8.83604415    -18.31506588
  H     14.33445036      8.46090350    -13.58311839
  H     16.85334974      8.62364273    -18.33012568
  O     17.77482082      8.48278735    -18.08000820
  H     13.91485835      9.02889032    -14.94529393
  H     13.18716567     11.08256253    -11.49374437
  O     12.68445066     11.39739127    -12.25591197
  H     14.17201919      5.28243755    -14.24851505
  H     12.05554671     10.69002648    -12.43011089
          69
 Ord_Energy   -248.299896    
 O   -2.72571659       5.12653255       1.19038498    
 H   -1.80006659       5.38471889       1.07903183    
 H   -3.06996822       5.00114822      0.299235523    
 O   -3.75058675     -0.460074663      -1.90900981    
 H   -4.06172228      -1.06389689      -1.22428119    
 H   -3.89070892      0.429033846      -1.55687773    
 O   -5.23467493      0.502484500       1.46510744    
 H   -4.88220882      0.765983224       2.32371068    
 H   -4.91228342       1.14459920      0.818877697    
 O    1.21757627      0.810439169       1.75999141    
 H    1.13694227      0.666222453       2.71240783    
 H   0.321106255      0.944708586       1.42628181    
 O    2.48247957     -0.846357644      -3.40748988E-02
 H    3.22552824      -1.29836082      0.358065307    
 H    2.10982633     -0.268491596      0.653485835    
 O   0.669698536      0.579379201       4.48062611    
 H    1.05819952      0.160495982       5.24343014    
 H  -0.212578073      0.182625711       4.35861635    
 O   -3.31272507       4.53925085      -1.57255363    
 H   -3.74082112       5.08299780      -2.22879076    
 H   -2.36208463       4.55044603      -1.77576017    
 O    2.53449273       4.03448153      -1.10410488    
 H    2.65833974       3.11879516      -1.40446758    
 H    1.84374022       4.39498234      -1.66207004    
 O   -2.25227618       3.02786851       2.84318280    
 H   -2.51352143       3.79732394       2.31591034    
 H   -1.42036915       3.22765398       3.29662132    
 O   0.232880518       3.35669303       3.93489385    
 H   0.862648666       3.55246544       3.23060942    
 H   0.444991648       2.46762872       4.24734783    
 O  -0.573531330       4.48384142      -1.85243571    
 H  -0.335964054       4.83064365     -0.982358754    
 H  -0.438641280       3.52423859      -1.83255494    
 O  -0.353540510       1.71305418      -1.67973566    
 H  -0.684748709       1.57242477     -0.782945395    
 H  -0.665213645      0.966037512      -2.20744562    
 O   -1.25536633     -0.625049949      -2.90524983    
 H   -2.18174148     -0.611687779      -2.60271001    
 H   -1.26092744     -0.925381958      -3.80985785    
 O   -4.01287174       1.27974844       3.92119956    
 H   -3.41779685       1.97264218       3.58336830    
 H   -4.48556852       1.65875435       4.65813112    
 O   -1.43540525       1.29922414      0.857200563    
 H   -1.70275974      0.387105286       1.04956985    
 H   -1.69874990       1.87819743       1.58718050    
 O   -3.85951090       1.98828888     -0.515740931    
 H   -3.76988626       2.85560369     -0.928664923    
 H   -3.01514435       1.80279195      -8.58319923E-02
 O    1.32128196E-02   5.56361485      0.724605560    
 H   0.583007216       4.85425711       1.06365991    
 H   0.504562259       6.37562561      0.828383148    
 O   -4.56098604      -1.89047837      0.423645139    
 H   -5.21578598      -2.56587887      0.575699151    
 H   -4.89601278      -1.07080460      0.832404256    
 O    2.43704271       1.39185750      -1.82548726    
 H    1.47361946       1.48308253      -1.83282876    
 H    2.60944533      0.591457903      -1.31848323    
 O   -1.96253085      -1.35340166       1.34055197    
 H   -1.30253887      -1.65142703      0.694889545    
 H   -2.83047152      -1.64736402       1.03885245    
 O  -0.126715809      -1.87829018     -0.592759192    
 H  -0.430478781      -1.51979291      -1.43562567    
 H   0.795728087      -1.61491096     -0.494389057    
 O    1.74332643       3.57758498       1.48527992    
 H    2.14804435       3.76390600      0.623028874    
 H    1.66461551       2.61745906       1.54115188    
 O   -1.75464976     -0.476324916       3.97416043    
 H   -2.56759930       3.53709199E-02   4.05755615    
 H   -1.80627728     -0.922766924       3.11744499    
          69
 Energy    -248.29980030470063     
  O     13.17593493     12.43606526     -9.90513395
  H     13.18526553     11.57105821    -10.34216252
  H     10.84254120     14.26841855    -13.11254083
  O     10.93999010     12.01357952    -15.06291802
  H     13.33418199     13.10986117    -10.58256464
  H     14.56438247     14.79712926    -11.57546898
  O     13.05678214      9.97676950    -11.22802326
  H     11.21345346     12.80696395    -14.58051396
  H     14.16963602     13.58290722    -12.43612392
  O     18.44580745     11.79529627    -13.74955352
  H     10.18975231     11.65103432    -14.57418172
  H     12.64285315     16.18096101    -16.10037738
  O     10.45809631     12.70185240     -9.55334276
  H     12.92653758     10.18939427    -12.16671798
  H     12.43843234     15.06004900    -15.05632894
  O     10.24814127     10.25958338    -11.02708473
  H     13.81499907      9.38344939    -11.20897510
  H     14.17339285     11.72861438    -13.73339264
  O     12.93149769     10.49658033    -13.88876954
  H     19.32530637     11.44626667    -13.62484475
  H     15.09966413     12.90336201    -14.23512944
  O     16.34788032     15.19887962    -11.12629405
  H     17.91241872     11.48276034    -12.99913288
  H     17.31878085     10.91154687    -15.11446384
  O      8.97430801     11.09910427    -13.27674228
  H     11.42825887     12.65439620     -9.58369363
  H     16.28989868     10.98181895    -16.26830457
  O     15.53266478     14.18525917    -15.51011147
  H     10.22369032     12.93704078     -8.65917339
  H     12.75014436     13.68530559    -16.83831995
  O     15.34899054     12.16954744    -17.43690465
  H     11.17428242      9.98632627    -11.03880976
  H     12.02704609     12.36273148    -16.56725175
  O     11.65466024     14.38672936    -13.62707951
  H     10.21142908     11.01952807    -10.43276410
  H     15.98132794      9.43839555    -11.73224875
  O     13.80218986     14.29292504    -11.88309775
  H     13.44577332      9.79529187    -14.31823218
  H     16.05573333      7.97137899    -11.25240464
  O     12.95464496     15.31823086    -15.83931861
  H     12.23368749     10.83572191    -14.45764321
  H     15.51517451      9.19172091    -14.97342682
  O     14.84489022     12.37361586    -13.47098605
  H     16.76632851     15.99796619    -10.81757448
  H     15.07253159      8.48539008    -13.66922863
  O     16.71806493     10.38002331    -15.64742079
  H     16.78939219     14.95817246    -11.96040181
  H     15.99338806     11.52116337    -12.43370265
  O     12.71756481     12.76021384    -17.11247075
  H      8.15271911     10.62457538    -13.37108741
  H     16.54280652     11.59199778    -10.98664789
  O     15.50371802      8.59172564    -11.72186814
  H      9.43180368     10.71493076    -12.50750812
  H      9.78628083     13.43484610    -11.19968210
  O     14.79895009      8.67473257    -14.57377592
  H     14.70648396     14.67368932    -15.61765836
  H      9.18087502     12.86329236    -12.49494054
  O     16.62143153     11.10639812    -11.82019660
  H     15.59904324     13.57443356    -16.25638638
  H     17.92079990     13.63305485    -13.58898639
  O      9.51018370     13.67637515    -12.09264442
  H     15.53745964     12.07020282    -18.36675870
  H     16.86654042     14.53516726    -14.24516383
  O     17.48079657     14.48705463    -13.50033728
  H     14.38334655     12.26828829    -17.35836154
  H     16.19830703     13.59045902    -10.06327093
  O     16.06572595     12.71601049     -9.67491246
  H     12.37990776     14.42420678    -12.98794535
  H     15.11441857     12.61985104     -9.54480847
          69
 Energy    -248.29965345547896     
  O     13.99103233      8.85945078     -9.36199368
  H     14.56735695      8.07133941     -9.35782101
  H     14.90692729     11.24855821    -14.28933542
  O     16.72786127      4.99390361    -13.33635253
  H     13.43582422      8.80120941     -8.59020944
  H     16.19865954      6.75118300    -13.53442459
  O     11.68305631      8.10220974    -13.70463049
  H     16.12635878      4.80838760    -12.60366215
  H     15.23989724      7.89735173    -13.05526700
  O     17.93650120      7.60305093    -10.58725664
  H     17.59642208      5.23317019    -12.98738525
  H     16.41001987      6.98302989     -9.92464736
  O     12.71584636      5.44069644    -13.28527171
  H     12.08278458      8.00913622    -14.58297355
  H     15.22886182      6.02430234    -10.23905391
  O     13.86005392     11.23153079    -12.76220572
  H     11.34481936      9.00488018    -13.66314555
  H     19.26635602      6.66693302    -13.44954132
  O     12.71861695     10.68699469    -16.11898009
  H     18.02130483      8.54726497    -10.76283939
  H     20.08492820      5.72601842    -12.53413332
  O     15.95203899      4.91671800    -16.00391129
  H     18.42331404      7.14440797    -11.28121857
  H     13.93638105      4.99483494    -12.09947417
  O     15.54951360      8.55115665    -16.19570561
  H     12.19679059      6.25225691    -13.30571720
  H     14.33041197      3.89878253    -11.08621389
  O     13.25318210      5.02924222    -16.05854569
  H     12.89203298      5.22219463    -14.20936301
  H     17.86739635     10.14596672    -12.90961480
  O     17.60486972      7.00185439    -17.10793635
  H     13.96745249     10.28890656    -12.55772194
  H     17.08379920      9.07335118    -13.69935165
  O     15.44734031     11.08827894    -15.07632651
  H     12.93326241     11.32966033    -13.00715460
  H     18.76079594      7.45029162    -15.63111259
  O     15.94524594      7.66864793    -13.67695533
  H     13.63955416     10.91354761    -15.94362894
  H     18.82715400      8.56982948    -14.56702792
  O     15.53162229      6.70112417     -9.62428539
  H     12.70076454      9.74462926    -16.33080403
  H     17.11028617     10.69614849    -10.82064337
  O     19.21475715      6.09371926    -12.66388027
  H     16.26583740      4.83072052    -15.09227778
  H     18.60917265     11.00902437    -10.61341452
  O     14.63854179      4.70676380    -11.49011492
  H     16.56796609      5.51169863    -16.44492824
  H     12.87648201      6.85589875    -16.28979880
  O     17.65735104      9.84942743    -13.80404832
  H     15.65166213      8.11962087    -15.32965159
  H     13.82995698      8.05768277    -16.28970070
  O     19.22261769      7.72824456    -14.83151185
  H     15.53551634      9.49715252    -16.00225495
  H     14.97623921     10.39191035     -9.96002665
  O     18.01036026     10.43731006    -11.08669376
  H     14.22593844      4.97460483    -16.07525503
  H     14.91020997     11.36288292    -11.15862237
  O     12.89294457      7.81909896    -16.22781335
  H     12.92855381      4.29472897    -16.57259260
  H     11.69320288     10.91244781    -14.71453726
  O     15.46226550     11.09173921    -10.41437602
  H     17.84478275      7.14385438    -18.02049925
  H     10.46830048     11.49555463    -13.97116974
  O     11.22730647     10.92959290    -13.85857144
  H     16.87659559      7.61602627    -16.91132658
  H     13.78879370      8.56827925    -11.17242331
  O     13.90259745      8.54255073    -12.13008069
  H     16.31615483     10.84069187    -14.72944030
  H     13.06357432      8.32388713    -12.55719237
          69
 Energy    -248.29952185254132     
  O      2.36656530      1.07859646     -2.51733666
  H      2.36832294      0.67950992     -1.62953256
  H     -3.23933999      1.78803586     -2.49920313
  O     -2.08415994     -2.03199642      0.97531466
  H      3.16352153      0.78252677     -2.95075067
  H      0.52951863      1.14894903     -0.06332175
  O     -1.59400928      1.93537445      2.26806329
  H     -2.63083613     -1.34441066      1.37836161
  H     -0.45468856      2.23270514     -0.64338113
  O      0.24317819     -3.37669876      3.73088873
  H     -2.20541845     -2.82525180      1.51174191
  H      2.47480806      0.75485050      0.76129888
  O     -3.81910514      2.81092625      0.55909682
  H     -1.37258482      2.86629535      2.42364290
  H      1.71784952     -0.56418551      0.44556254
  O     -2.03878776      2.55135522     -3.81924543
  H     -1.15616862      1.68910159      1.43559219
  H      1.96292590      4.13419455      0.36540997
  O     -0.81313382      4.51778592      2.19091581
  H      0.57910785     -2.87208524      2.97801625
  H      2.51738075      5.07677136      1.45593494
  O     -3.00213168     -1.76966581      4.44601497
  H      0.11493397     -2.73245139      4.43791133
  H     -0.67538952     -0.05989942     -2.92928481
  O      2.62215838      1.75976922      2.20751206
  H     -3.11601545      2.49495381      1.13591054
  H      0.63795377      0.70037188     -3.25557301
  O     -2.57531211      5.17154786     -0.00568740
  H     -3.78513372      2.27432684     -0.25009765
  H      0.60408329     -0.82604509      2.26999081
  O     -3.55098147      0.01463229      2.28985073
  H     -1.39118693      1.82198512     -3.82066227
  H     -0.27295793     -1.68947515      1.32143525
  O     -3.60366844      1.32008929     -1.73881518
  H     -2.24355379      2.74069041     -4.73041828
  H      2.19894825      2.87444546     -1.78690984
  O     -0.38951129      1.44219098     -0.09171594
  H      0.10618629      4.52285895      1.89217303
  H      1.02459305      3.84212091     -1.55383906
  O      2.14205511      0.20160981      0.03672148
  H     -1.33876172      4.90628201      1.48176115
  H     -1.39058535      4.32419344     -1.14976431
  O      1.88964628      4.37355001      1.30602188
  H     -2.89983897     -2.60823544      3.97787738
  H     -1.24443904      3.44771349     -2.43484362
  O     -0.26002212      0.53653317     -3.56735997
  H     -3.33347564     -1.13983697      3.79428031
  H     -2.42768688     -5.00685495      2.94665158
  O      0.63673183     -1.53156621      1.60667109
  H      2.36768566      2.67163643      2.02081355
  H     -1.33993933     -3.93842326      3.22050642
  O      1.95266855      3.68356026     -1.32607928
  H      1.96366373      1.40114395      2.81661816
  H     -0.28941548      1.03413282      3.25874062
  O     -0.78330598      3.76187045     -1.64605013
  H     -3.13324636      4.39602671      0.18190755
  H      0.15524153     -0.02448273      4.31105814
  O     -2.25437575     -4.07037798      2.91109254
  H     -3.16097284      5.91873296     -0.09350471
  H     -1.81597256     -1.31878523     -0.73418233
  O      0.45449678      0.49297141      3.55230497
  H     -4.27280561      0.46691967      1.85377905
  H     -1.19321113      0.07646539     -0.94077700
  O     -1.61788448     -0.65970990     -1.40958564
  H     -2.85757333      0.68194643      2.41531912
  H     -0.58621252     -1.22116700      6.45992131
  O     -0.55455520     -1.24207589      5.50716627
  H     -3.06937790      0.51922630     -1.65950868
  H     -1.46469728     -1.39659880      5.19700829
          69
 Energy    -248.29932679384211     
  O     10.15026617     13.42006624    -12.72768140
  H      9.38567475     13.93350238    -12.98123696
  H     13.02967888     12.84545981    -14.26539656
  O     14.46588738      8.44456687    -17.43809935
  H     10.54357624     13.09072274    -13.55079218
  H     16.21581193     10.17457628    -11.12004058
  O     10.96411049      9.30992320    -12.13188511
  H     15.00493464      7.95395528    -18.05230960
  H     14.66973497     10.22808878    -11.07471147
  O     14.30769495      8.74853574    -14.62827559
  H     14.78142596      9.36682141    -17.45731988
  H     14.34285717      7.88833882    -12.96592976
  O     12.34646636     11.82755700     -9.37448335
  H     10.43988660      9.93078734    -11.60547824
  H     14.89376263      8.22573245    -11.56364571
  O     15.15075192     11.06914983    -17.25424291
  H     11.23309088      8.57736803    -11.56441791
  H     13.48628896     14.87390881    -11.63995385
  O     11.67363413      9.68418368    -14.70576938
  H     14.39119715      8.45478829    -15.54397860
  H     14.26980667     16.05278852    -12.26871808
  O     13.18568862      9.25479023     -8.75857748
  H     14.86868202      9.53271057    -14.53983165
  H     12.91881256      7.30630549    -11.11773862
  O     13.25008409     10.97861909    -11.83071238
  H     12.49253974     10.98515182     -8.91983312
  H     11.90562580      6.38590081    -10.39120079
  O     16.38818015     13.48987709    -11.19339395
  H     12.65819334     11.65797476    -10.27953618
  H     17.09144290     12.06959348    -11.86443097
  O      9.82851047     11.36392733    -10.72701771
  H     15.50160607     11.16776512    -16.35844961
  H     18.35934802     11.20628193    -12.07607297
  O     13.87772751     12.84826906    -13.80421048
  H     14.35385801     11.60873815    -17.30614831
  H     11.44654041     11.45109916    -14.85045362
  O     15.44806611      9.83733038    -10.64137041
  H     12.58700443      9.36786878    -14.66209825
  H     11.68284028     12.54126485    -15.91509169
  O     14.35947967      7.58533593    -12.04852277
  H     11.25980475      9.44546289    -13.86434925
  H     15.41390157     11.37419541     -9.37620034
  O     14.23688664     15.10149504    -12.21791776
  H     14.06633822      9.29073389     -9.14619104
  H     14.26989814     12.27691501     -8.91694472
  O     12.11338598      7.29925596    -10.56835532
  H     12.72794077      8.55984910     -9.24847772
  H     15.17991553     11.76704876    -14.28648166
  O     17.41138239     11.20315203    -12.17898573
  H     12.51088084     10.40890899    -12.07737939
  H     16.47712742     11.07770586    -13.79753371
  O     11.41684625     12.41035224    -14.99595213
  H     13.42235419     11.61485422    -12.53432150
  H     12.29200460     12.64080960    -18.43391083
  O     15.22779402     12.24751748     -9.01039758
  H     16.01466764     13.18414091    -10.35277422
  H     12.20952867     11.31008070    -17.64880972
  O     15.82974898     11.08333281    -14.51191542
  H     15.74655477     14.10692399    -11.55874988
  H     12.11968421     13.59339329    -10.13765136
  O     12.47763267     12.24530791    -17.58596116
  H     10.53015758     11.56651824    -10.09628984
  H     11.39680458     14.03708704    -11.43127251
  O     12.08452737     14.29103821    -10.80241472
  H      9.84567978     12.07074898    -11.38422647
  H     12.65086738      9.07316666    -17.60318254
  O     11.84721905      9.59909706    -17.50589628
  H     13.99217128     13.69498699    -13.35444338
  H     11.59652465      9.51804149    -16.57494083
          69
 Energy    -248.29927184633618     
  O     11.50171323      9.15937323    -14.29861677
  H     11.37952288      9.82321652    -13.60965911
  H     17.29230880      8.65289378    -16.14465812
  O     17.26552407      8.36013573    -14.40359705
  H     12.05936049      9.56977102    -14.96923469
  H     18.57631482     12.33254759    -13.56274635
  O     16.27123305      9.75093189    -10.36764286
  H     16.82328039      7.56134976    -14.07992763
  H     18.32645438     12.27156000    -12.03899363
  O     15.54909156     12.77584927    -13.20323967
  H     17.80902578      8.69151579    -13.67669715
  H     13.77868841     12.80887429    -13.83125366
  O     14.38185410      8.26963048    -17.27254123
  H     15.36101015      9.85215053    -10.68175223
  H     13.00393919     12.04080442    -14.92768686
  O     16.07493377      7.06578218     -9.83869800
  H     16.31883703      8.84562843    -10.02606753
  H     15.42974855     10.97405200    -13.59725535
  O     15.98908515      6.20917660    -13.27139802
  H     15.92885454     12.75697838    -12.31614719
  H     15.90708030      9.52849925    -14.00578596
  O     13.72324393      9.76716618    -11.46853057
  H     16.25217753     13.03257252    -13.81535889
  H     11.72433429      7.48828169    -13.87773575
  O     17.61597266     13.09539731    -15.04107323
  H     14.26443247      7.50459238    -16.68871046
  H     11.07856111      6.09187535    -13.71870707
  O     17.81375668      5.29617505    -11.31799406
  H     15.33324236      8.38859210    -17.36336725
  H     19.45207731      7.91090880    -11.70916066
  O     16.19783254     11.47856809    -16.67728532
  H     15.23960061      6.91270858    -10.30010019
  H     20.79153560      7.25819931    -11.32654979
  O     17.21221988      8.88350950    -17.08619370
  H     16.69634397      6.43335416    -10.21704521
  H     13.31610850      6.25915721    -14.89041823
  O     18.91492021     11.96116675    -12.73897041
  H     16.62392819      5.78172731    -12.68423800
  H     14.83260545      6.06405714    -14.79198656
  O     12.89071567     12.62384663    -14.16613607
  H     15.25875931      6.50983286    -12.71118008
  H     16.90962576     12.89933052     -9.91667657
  O     15.14692936     10.06130788    -13.74565566
  H     12.90830268     10.26980140    -11.57385569
  H     16.70564404     11.48687171    -10.50566840
  O     11.90212002      6.56369593    -13.62782322
  H     14.17801403      9.80943778    -12.32681618
  H     17.70692765      9.43568631    -11.53873634
  O     19.87592963      7.06131645    -11.50531045
  H     17.14390689     12.51942409    -15.66938203
  H     18.75395748     10.23574037    -12.37181074
  O     14.11863404      6.21156811    -15.42354850
  H     17.93705109     13.84026913    -15.54255783
  H     13.73114958      7.94440123    -11.50923952
  O     16.88556782     12.41342550    -10.73734733
  H     18.60053695      5.86450919    -11.38270995
  H     13.13260402      6.72202508    -12.23207817
  O     18.47202358      9.34357728    -12.12119046
  H     18.11745292      4.43156781    -11.05414495
  H     10.72267094     11.72368420    -11.99387046
  O     13.84622911      6.99244145    -11.64005266
  H     15.25959468     11.29419914    -16.56719074
  H     11.93439390     11.81307800    -12.95272866
  O     11.47302859     11.23416355    -12.31905639
  H     16.60214820     10.63463705    -16.91957772
  H     13.69750730      9.71623817    -16.52778106
  O     13.52419775     10.45654154    -15.92415102
  H     17.92981039      8.44806848    -17.53866592
  H     14.05494730     10.27244840    -15.13188872
          69
 Energy    -248.29926892432553     
  O     -7.02993566     -3.16729894      5.98488278
  H     -7.70914596     -2.58718434      6.34621314
  H     -4.42264634      0.97769944      2.01445882
  O     -9.28368750     -3.00544926      2.17835202
  H     -6.18880874     -2.74374663      6.19844756
  H     -6.68547992     -1.22519963      3.15178856
  O     -7.21987461     -4.44536476      3.58518292
  H     -9.67206464     -2.50367191      2.90892331
  H     -8.11440043     -0.94023341      3.73211982
  O     -5.46985281      0.84923924      0.51019639
  H     -8.64417030     -3.59653014      2.59078985
  H     -4.25191931     -1.54818686      5.67987401
  O     -6.53844582      0.39462268      6.00669834
  H     -7.18518246     -4.02379704      4.46252776
  H     -3.98581583     -1.81082191      7.18270049
  O     -5.89319821      5.32300856      1.40545576
  H     -7.20854495     -5.38708587      3.73381072
  H     -2.84704034      3.93324321      2.66041540
  O     -8.76113005     -1.02010378      6.89766153
  H     -5.47009315     -0.04330618      0.14440578
  H     -1.40919780      3.63676740      2.16512840
  O     -3.67857455     -1.34271684      4.08604335
  H     -6.37860911      1.03103295      0.78509326
  H    -10.28724788      4.44481640      4.45291254
  O     -4.40626222      3.44793211      0.12728150
  H     -5.84298825     -0.20444610      6.30985843
  H     -9.08969310      3.69474094      3.84964436
  O     -9.84714552     -1.30514868      4.29335122
  H     -6.75807667      0.11477129      5.10200724
  H    -10.44506249      1.93525744      3.66726623
  O     -5.86627384     -1.84239421     -0.28616525
  H     -6.02118493      6.09000607      0.85417837
  H     -9.89603086      1.15745419      2.46656614
  O     -3.89041790      1.13898089      2.80596729
  H     -5.39465604      4.67501862      0.87545367
  H     -5.63576910     -2.41182343      1.47484044
  O     -7.25753739     -0.54198422      3.52269118
  H     -9.13021321     -0.73258742      7.72891933
  H     -6.08727376     -3.28682429      2.70013469
  O     -4.67898714     -1.63709907      6.55241824
  H     -8.03938735     -0.40592754      6.68535302
  H     -8.80746279     -1.90799377      0.83358955
  O     -2.31509472      3.35127010      2.08795071
  H     -3.63147345     -0.46060866      3.69525474
  H     -8.53398349     -0.40835741      0.52696012
  O     -9.92586224      3.57107844      4.32533613
  H     -4.23531565     -1.85868001      3.48606230
  H     -4.56212420      4.14767342      4.09324605
  O    -10.52152097      1.09403820      3.19505880
  H     -3.59087971      3.40501420      0.64245540
  H     -4.69535865      5.14174958      2.92242299
  O     -5.57084646     -2.51535297      2.43206255
  H     -4.75694474      2.54803772      0.10535858
  H     -4.98019502      2.03435081      3.95970268
  O     -8.44444897     -1.29810999      0.17185359
  H     -9.66634318     -1.21878820      5.23537665
  H     -5.88340719      1.97704184      5.21490169
  O     -4.07207586      4.80143758      3.57645618
  H    -10.20725538     -0.45990272      3.97867329
  H     -7.94021119      2.12004695      1.94388308
  O     -5.54414227      2.57179611      4.53599488
  H     -6.82725681     -1.69112418     -0.20222159
  H     -7.76249911      0.61918753      2.29672132
  O     -8.04981248      1.22550708      1.59290850
  H     -5.72556042     -2.28730867     -1.11691608
  H     -6.87074018      3.25551445      3.51829919
  O     -7.52448001      3.62166550      2.90382690
  H     -3.22679699      1.79918729      2.56978473
  H     -7.06666641      4.27660539      2.36285992
          69
 Energy    -248.29925672631424     
  O     19.19403291      6.97097417    -11.52942984
  H     18.52575655      7.52056339    -11.09993509
  H     11.67560145      8.41706550    -16.42422022
  O     17.38422925     10.94259438    -11.89887429
  H     18.70615822      6.28190968    -11.99787751
  H     15.71250595     10.63565922    -12.55472298
  O     11.32813220     10.19866955    -13.78853658
  H     17.32664311     10.12209351    -11.39257348
  H     14.35084301     10.46087724    -11.84440547
  O     15.47995266      6.82103543    -12.39610748
  H     17.98684584     10.78384271    -12.64305625
  H     14.39079825     11.44500352    -16.73809249
  O     13.40383565      7.39438206    -10.59891474
  H     11.34555615      9.84484159    -12.89075968
  H     13.13173187     10.56449354    -16.51827526
  O     17.64247136      5.27372825    -13.25652521
  H     11.78697111     11.04615965    -13.76116129
  H     14.90860723      9.18263804     -7.84512890
  O     13.24069815     12.36829001    -13.97866134
  H     15.18767006      7.28077278    -13.19641843
  H     14.47277961      9.75850257     -9.21381907
  O     17.06196142      9.13561734    -15.78119429
  H     16.15303655      6.18467279    -12.66744109
  H     20.19047232      7.72585298    -12.75799854
  O     16.95895395      8.48199746    -10.67667391
  H     13.91247930      7.77904564     -9.87546614
  H     21.57599819      7.98411247    -13.39640825
  O     16.31248825     11.67515679    -16.71282383
  H     14.05516165      7.06967687    -11.23518701
  H     16.27044290     13.47047385    -13.68023277
  O     18.65492494      6.87893573    -15.18887477
  H     17.97024311      5.80451243    -14.00549743
  H     14.95745664     13.20865105    -14.42172423
  O     12.34289431      8.89033966    -15.93512878
  H     17.76303307      4.35847014    -13.49369925
  H     16.92840750     12.63108499    -11.73309566
  O     14.78046379     10.43058799    -12.70759436
  H     13.20863382     12.16250499    -14.92681930
  H     17.23939774     14.10318271    -11.37765439
  O     13.44482161     11.47645413    -16.55012386
  H     13.81504423     11.69913660    -13.57096436
  H     14.69469805     13.49935472    -11.42924846
  O     14.95211473      9.02793810     -8.78502415
  H     16.24420814      8.81790280    -15.37340569
  H     13.40929792     13.22906871    -12.23423796
  O     20.64072071      8.10448878    -13.53424564
  H     16.84177227      9.97374395    -16.20736600
  H     19.61025381      9.64214125    -13.85339520
  O     15.90729729     13.30657159    -14.55764988
  H     16.44374432      7.95160839    -11.30249173
  H     18.31303378      9.91752083    -14.64171336
  O     16.58308123     13.53954014    -11.77949044
  H     16.38436591      8.64219717     -9.91842761
  H     10.64109608      8.90916776    -10.71664347
  O     13.74668162     13.33636311    -11.33605829
  H     16.73841938     12.17331686    -17.40639125
  H     12.10020284      8.47949980    -11.00345798
  O     18.93039582     10.30917696    -14.00964141
  H     16.27037445     12.26284845    -15.93797469
  H     12.67522997     10.44873234    -10.46761784
  O     11.44838562      9.19091833    -11.13971612
  H     19.42316933      7.28059149    -14.76333375
  H     13.51451027     11.78355289    -10.48943381
  O     13.51100357     10.85658783    -10.20652318
  H     18.12452771      7.61131180    -15.52938335
  H     14.66643829      9.13000014    -13.89017218
  O     14.69721341      8.38997288    -14.51765983
  H     11.89456716      9.31324908    -15.17992517
  H     13.89727125      8.43893345    -15.05401369
          69
 Energy    -248.29923886726249     
  O     14.50946066     12.35472223    -11.99928496
  H     15.40863381     12.00704836    -11.94652871
  H     12.57108943     11.03143580    -10.40563681
  O     18.28311763      8.97002591     -8.76380213
  H     14.10065845     12.17742437    -11.14395026
  H     14.46875916      9.14299825    -14.49244413
  O     17.03040325      6.74641533    -12.07381410
  H     17.51283438      9.54885278     -8.73511193
  H     13.30057806     10.08337401    -14.81899407
  O     14.34386395      4.15536476    -10.94819822
  H     18.56817642      8.95057941     -9.68607499
  H     18.29039760      8.01641805    -11.78646859
  O     18.17040815      6.34176427     -7.97895581
  H     16.76574941      6.47450384    -11.18467244
  H     19.69415628      8.62661584    -11.98458265
  O     16.89780488     10.87089520    -11.60279141
  H     16.47564107      6.22984018    -12.67929380
  H     16.79556428      5.87654714     -9.00298035
  O     10.57488171      7.73492021     -9.55191539
  H     14.50428056      3.23991201    -10.73389428
  H     15.41966858      6.53491535     -9.29874409
  O     15.74854234     10.29303235     -9.15048292
  H     14.97383581      4.67911384    -10.42406204
  H     10.81466961      9.88131150    -11.95784760
  O     13.43120600      8.22022133    -11.57126186
  H     18.24935865      7.29011090     -8.17891005
  H     11.87444683     10.80831659    -12.65073334
  O     12.10478717      5.86714760    -11.00459613
  H     18.69835348      6.19098372     -7.20003058
  H     11.35665905      6.61451941    -13.91435140
  O     12.91239209      6.63184947    -14.97478242
  H     17.69654419     10.33504836    -11.67498958
  H     11.03433198      6.13980737    -12.49173119
  O     13.12942321     11.27828199     -9.65304674
  H     16.53565528     10.68857931    -10.72141801
  H      9.83007383      7.92978241    -12.55722880
  O     13.68117169      9.22966054    -15.05037910
  H     11.05100999      6.97003220     -9.90356183
  H      8.52204351      8.71064408    -12.28375089
  O     18.84806603      8.78248292    -11.57194230
  H     10.07539099      8.09038838    -10.29532076
  H     11.50644972      8.72890951     -8.46166406
  O     16.03086078      5.84431809     -9.59526944
  H     14.94447250     10.81773138     -9.25210083
  H     11.70549339      9.26986639     -7.02666297
  O     11.64745523     10.35334054    -11.82955852
  H     15.42068942      9.38732939     -9.05392033
  H     14.70464224      4.92020358    -12.70876327
  O     10.64547361      6.57533845    -13.26320038
  H     14.16725783      8.42331784    -12.16044073
  H     14.32463337      5.80701058    -13.92160738
  O      9.44637006      8.67196043    -12.05490196
  H     12.79035933      8.93680998    -11.66278825
  H     13.43657629     12.00382535    -13.34418665
  O     12.10774464      9.24082678     -7.89059372
  H     12.58841796      6.66104157    -11.28667336
  H     12.51770925     12.52226662    -14.47396919
  O     15.07081611      5.42720073    -13.44349863
  H     12.76440766      5.17147034    -10.91275492
  H     14.02692592      8.03870978     -9.91482596
  O     12.76108615     11.73554105    -13.99323115
  H     13.14165928      7.57616839    -15.03412786
  H     13.63004164      8.26056219     -8.44053764
  O     14.33397890      7.91571952     -9.00200590
  H     12.88976432      6.30415219    -15.87101986
  H     16.00753963      9.68012317    -12.66900979
  O     15.62705881      8.91971942    -13.12660027
  H     12.79512010     10.73416128     -8.92898599
  H     16.13367852      8.14721738    -12.84545885
          69
 Energy    -248.29920160602768     
  O     11.20829867     10.78369901    -11.88922302
  H     11.85154144     11.24748822    -12.43835549
  H     16.23588021     11.79492777    -15.34057182
  O     13.65711723      7.58347285    -15.15855302
  H     10.66496051     10.26587905    -12.49795865
  H     16.42095041      9.45623533    -14.59821418
  O     17.59271903     10.76330730    -10.90406109
  H     13.96181713      7.08305310    -15.92870073
  H     15.54373137      9.48966533    -13.32799987
  O     17.74729826      8.65272300    -17.02022684
  H     14.40059031      8.13447420    -14.86706747
  H     11.59728531      9.69309968    -10.58720714
  O     11.99479184      9.71591426    -15.39722586
  H     16.70746867     10.88373624    -11.27785900
  H     11.29382853      9.18474625     -9.15709194
  O     13.93326016      6.38690110    -12.69227403
  H     17.50419241     10.00622565    -10.31277466
  H     18.14584470      7.69448878    -11.03021782
  O     15.03828002     10.54615595    -11.94076195
  H     17.72591511      7.74424360    -16.69735309
  H     18.88920956      8.26404220    -12.25576054
  O     15.42725935      8.83649618    -18.64258927
  H     17.01155201      8.73149032    -17.64159126
  H     11.34826939      7.62304389    -11.25218846
  O     17.63752845     10.68242851    -15.23514548
  H     12.53274302      8.90874610    -15.35284437
  H     12.06406323      6.68791616    -12.24550832
  O     14.85279234      6.38895785    -17.30536011
  H     11.17382353      9.50608965    -14.93803519
  H     18.67144099     10.41049598    -12.22280806
  O     17.39573397      5.96089245    -16.05044115
  H     14.84926560      6.10246819    -12.80105389
  H     20.10321375     10.40014370    -12.80839119
  O     15.42345421     12.32166908    -15.42343982
  H     13.69178471      6.75283090    -13.55774104
  H     16.33888812      7.29549822    -13.66050165
  O     15.77541641      8.94916704    -14.09363654
  H     14.68579676      9.79757786    -11.44135211
  H     17.42670135      6.59106391    -12.83794540
  O     11.78650582      8.98260346     -9.94767967
  H     14.32491336     10.93579873    -12.46310377
  H     16.05013484      8.20146627     -9.91848532
  O     18.64371694      7.44060539    -11.81786940
  H     15.33380355      9.03751358    -19.56998509
  H     17.00262404      7.92272817     -8.73712260
  O     11.21824193      7.11311337    -12.06144037
  H     14.87814982      9.48048949    -18.16147540
  H     14.44286331     11.25027066    -16.67826211
  O     19.21381487     10.09263134    -12.96719623
  H     17.80545939     10.02315492    -15.92878760
  H     13.17501280     10.37035944    -16.73490525
  O     16.67857739      6.41750581    -13.42671956
  H     18.24970938     10.51740357    -14.50641796
  H     14.21967689      7.55138341    -11.30640166
  O     16.97340272      8.26892787     -9.62584523
  H     15.71315177      6.13152811    -16.95090619
  H     13.50028670      8.43052877    -10.23946690
  O     13.95754890     10.63163481    -17.23637424
  H     15.01607847      7.16185437    -17.86192711
  H     13.94681554     11.96746613    -14.26055230
  O     14.36643017      8.18952249    -10.59382561
  H     17.16579978      6.02756773    -15.10922847
  H     12.79160244     10.94388764    -14.31816919
  O     13.22627891     11.58976015    -13.74127586
  H     17.99684097      5.22450721    -16.13212960
  H      9.02406628      8.66379246    -13.77760508
  O      9.92954867      8.93149399    -13.64512281
  H     15.69817860     13.20586876    -15.65562750
  H     10.36494113      8.21297092    -13.15288123
          69
 Energy    -248.29908131025803     
  O     13.06730716      6.22122715    -14.03879927
  H     12.87367498      6.58010030    -14.91333055
  H     16.27619858      5.81298485    -13.64958459
  O     17.14380355      6.88556586    -12.49319887
  H     13.97359559      5.88335382    -14.08102827
  H     18.81801222     10.53225206    -14.19985194
  O     16.97092860     11.14774966    -11.38647707
  H     18.08177431      7.10321052    -12.45117068
  H     18.64978557      9.35422812    -15.18256092
  O     15.88413783     10.78772772    -15.24119494
  H     16.67463555      7.71730148    -12.66661908
  H     15.83443758      9.66225541    -13.77342328
  O     15.38370347      2.85450825    -13.05896589
  H     16.51036218     10.42756494    -11.84327667
  H     14.83493905      9.02076112    -12.77246175
  O     14.57961139      9.39118848     -8.59297706
  H     16.35267919     11.51271029    -10.73647724
  H     12.39695812      5.47793099    -12.41141913
  O     15.86364082      6.14529341    -10.16391551
  H     16.41108738     10.23772593    -15.83736233
  H     12.93089540      4.62767756    -11.24083659
  O     13.15435311      9.97403628    -15.16735365
  H     16.49452896     11.40653490    -14.82063389
  H     18.10318958      9.98389198    -10.47838865
  O     15.71885858      7.01351826    -16.47426224
  H     15.10351293      3.09209965    -12.16212339
  H     19.04451113      8.80716745    -10.81397303
  O     17.02841698      7.88978812     -8.33187264
  H     14.90688567      2.05829747    -13.28222558
  H     15.05467431      4.57851022    -10.35967258
  O     17.51281863      8.99837759    -16.65308288
  H     13.98988893      8.77448467     -9.04521657
  H     14.43207758      3.33149665     -9.69599161
  O     15.69955419      5.32269877    -14.25218469
  H     15.39433656      8.90473356     -8.42010650
  H     18.23233738     13.02673857    -13.68136706
  O     19.14305693      9.64797051    -14.40657969
  H     16.33899741      6.36361948    -10.97845909
  H     17.59708697     11.88779781    -12.84894315
  O     15.77268563      9.19879181    -12.92911911
  H     16.28367313      6.64642011     -9.45315246
  H     20.61395671      7.62751773    -12.49154940
  O     12.22947915      5.24064136    -11.48936101
  H     14.02602022     10.38599550    -15.22636960
  H     19.56235665      8.57408355    -13.11799589
  O     18.57463866      9.23521563    -10.08915610
  H     13.02797768      9.71998001    -14.24372545
  H     14.44592137     12.50192167     -9.25164440
  O     14.55899377      3.76135668    -10.53850349
  H     14.78009025      7.20647190    -16.58222510
  H     14.88278420     11.02972214     -9.16033379
  O     17.88310628     12.14191139    -13.74425384
  H     15.77780699      6.34561373    -15.77790196
  H     12.75006589      6.70653831    -10.50042578
  O     19.72732280      7.95925784    -12.38015963
  H     17.61241380      8.38037013     -8.93864881
  H     14.21070183      7.03425898    -10.16740281
  O     15.12654402     11.89592339     -9.53013869
  H     17.48225745      7.83941952     -7.49505328
  H     13.05247638      7.80736943    -13.13234258
  O     13.31888372      7.40791890    -10.15146170
  H     17.84758360      9.00529376    -17.54580586
  H     13.08594318      8.39597742    -11.70909187
  O     13.11345820      8.64124970    -12.64275487
  H     16.89700152      8.24520996    -16.59277933
  H     12.97075798      8.50214158    -16.08331827
  O     12.92581085      7.62130811    -16.49708763
  H     15.65458255      4.41154259    -13.93280269
  H     12.27432303      7.67594721    -17.19069683
          69
 Energy    -248.29877045056952     
  O     18.26848414     10.37095710    -14.66088416
  H     18.97570112      9.71446420    -14.57541847
  H     20.22254495      7.52046292    -14.94621950
  O     21.30234636      8.14856297    -11.83357441
  H     17.76797455     10.10040855    -15.43966553
  H     20.61841886      4.76273872    -12.95433318
  O     15.64444220      8.05028792     -9.56279761
  H     20.68217733      8.66576160    -11.29973811
  H     19.47855967      3.90697109    -13.56404976
  O     13.01373793      9.37862677    -12.58866470
  H     20.99636972      8.24344839    -12.74504152
  H     15.52201243      9.02084800    -15.31830153
  O     16.69263270      9.12677940    -16.72866846
  H     15.29767533      7.33754706    -10.11490928
  H     15.73561189      9.10172683    -13.79200211
  O     12.08800184      6.65905382    -12.48321429
  H     15.33727366      8.87665766     -9.95139718
  H     17.47622311      7.83725246    -12.56499468
  O     18.67224800      5.71913508    -10.41682985
  H     12.58508692      8.52150607    -12.47954659
  H     18.11040131      6.54357017    -11.97295423
  O     14.60742925      6.01522826    -11.22770124
  H     13.57009465      9.30318815    -13.37584712
  H     15.07755088      5.73994058    -14.33365419
  O     21.29303841      5.51659403    -11.33798271
  H     16.54685894      9.39013731    -17.63311887
  H     14.55989781      7.19475136    -14.26045767
  O     16.63073252      3.96875974    -11.03937282
  H     17.10522251      8.24455735    -16.75672292
  H     17.19316331      7.84763585     -8.85977105
  O     17.84397506      2.95472654    -13.23890083
  H     11.28926786      6.22470263    -12.77126070
  H     18.09779129      7.77799965     -7.60340494
  O     19.92755930      8.14057743    -14.26939002
  H     12.77771467      6.42560917    -13.12938793
  H     20.39228565      5.39997979    -15.23869943
  O     20.24621776      4.44651710    -13.78637436
  H     18.57993255      6.37237031     -9.71158910
  H     21.23002774      5.70799391    -16.50155312
  O     15.07513438      8.91077983    -14.46881006
  H     19.61125130      5.60954136    -10.61424216
  H     14.10949375     10.11880384    -11.45822599
  O     17.81635676      6.96142339    -12.79243130
  H     13.64879998      6.10012608    -11.19821723
  H     14.52999848     11.28398857    -10.52832749
  O     14.33159033      6.28030588    -14.04096659
  H     14.81165371      6.12570176    -12.16621994
  H     18.50663328      9.59006798    -11.10386797
  O     18.11142191      7.72450508     -8.55471856
  H     22.11938081      5.24455435    -10.94896937
  H     18.90085697      8.94928168     -9.76304538
  O     20.47015499      5.99778081    -16.00448314
  H     21.36110488      6.47558987    -11.50507114
  H     16.34454628     10.08107480    -11.93938909
  O     14.83719591     10.46763805    -10.91284945
  H     17.36020139      4.51019161    -10.70192282
  H     17.42363453     10.07488422    -13.13099011
  O     19.24670260      9.46773943    -10.50020465
  H     15.85584392      4.54090323    -11.01971080
  H     17.14998580      5.81389523    -13.98093868
  O     17.01120530      9.56828239    -12.41139812
  H     17.38457848      3.25566991    -12.43407774
  H     17.07134131      4.30094753    -14.28283288
  O     16.76265148      5.16121537    -14.58777941
  H     17.76098513      2.00543373    -13.26328767
  H     18.72417835      6.45147648    -16.62127326
  O     17.78499509      6.64697368    -16.72031389
  H     19.23292847      7.68063604    -13.77526371
  H     17.34151580      6.05908981    -16.09379547
          69
 Energy    -248.29869649746428     
  O     14.92878808      9.50833817    -14.09265191
  H     15.45430248      9.57948384    -14.90465831
  H     16.50834703     10.98566001    -16.11021003
  O     17.21338382     15.17617687    -16.09182587
  H     14.54569198     10.37832114    -13.93861803
  H     19.54917008     11.58686553     -9.71680262
  O     19.54877116      9.76900115    -15.87381165
  H     17.17010596     15.61736605    -16.93694100
  H     19.87138704     10.15104395    -10.17374683
  O     20.08545287     13.29114443    -10.27204552
  H     18.15228467     14.98418563    -15.93116892
  H     21.00642108     16.87521466    -13.02773333
  O     15.29743082     12.41248315    -11.03894115
  H     19.90134142     10.57619432    -15.46567170
  H     19.54372093     16.83633613    -12.54773700
  O     21.17194036      9.32633062    -11.32512107
  H     20.11194666      9.57067184    -16.61854215
  H     21.15290469     12.42523388    -11.47130645
  O     16.57824883     10.17989273     -9.79313667
  H     19.22461318     13.53354712    -10.64454627
  H     21.69698706     11.02586851    -11.83742862
  O     19.80947791     14.63165389    -15.20024301
  H     20.56848417     14.11057466    -10.11377433
  H     16.23503558      9.22383243    -12.94446355
  O     21.55819854     15.69332059    -10.20618465
  H     16.03418345     13.03702717    -11.06773071
  H     16.79286938      9.44932244    -11.49447423
  O     20.28252234     12.02089359    -14.43391220
  H     15.63577509     11.63990821    -10.57004400
  H     22.82631274     16.43731831    -14.82465036
  O     14.11705005     12.26872020    -13.49020362
  H     20.61032403      8.99790524    -12.05080465
  H     22.46950647     15.42673755    -13.70785976
  O     16.65603387     10.03736039    -16.22804565
  H     21.69439176      8.58694067    -11.02666572
  H     18.79604275     15.38356244    -13.85042849
  O     19.23851847     10.67362906     -9.66747967
  H     17.52953096     10.37014403     -9.70052642
  H     17.42696490     16.01457545    -14.02284957
  O     20.43855376     17.06994799    -12.27150119
  H     16.31246400      9.72136377     -9.00052675
  H     22.72269308     13.52260456    -12.32546839
  O     21.74535956     11.95894939    -12.08049612
  H     20.00494320     13.70333888    -15.00950770
  H     22.65587495     14.85757976    -11.55979900
  O     17.04014731      9.24900794    -12.40434408
  H     20.62217325     15.13039391    -15.04605762
  H     19.55213757      8.79499761    -14.20719453
  O     22.09167995     16.02086039    -14.38228360
  H     21.11978371     16.24256324    -10.88006718
  H     18.63341484      8.63009331    -12.97707919
  O     18.11381328     15.87620848    -13.36683688
  H     21.83339685     16.28073774     -9.50742986
  H     17.57494686     10.89030230    -13.00739543
  O     22.98436783     14.45195036    -12.37177448
  H     19.41018277     11.90487812    -14.02066917
  H     17.24205840     12.02268065    -14.03850669
  O     19.53912865      8.49296419    -13.29289720
  H     20.91911684     11.99077845    -13.70823106
  H     15.37621868     12.68185011    -14.77982816
  O     17.83874945     11.76410428    -13.32238384
  H     14.51200752     12.31181054    -12.60128839
  H     16.38962191     13.56842327    -15.59981901
  O     16.17146955     12.66880825    -15.33122583
  H     13.19191139     12.47514998    -13.38620605
  H     17.74490251     13.06438896    -12.12473776
  O     17.68546199     13.82061865    -11.51775643
  H     17.60524425      9.90166442    -16.13215335
  H     17.74187546     14.61492373    -12.06230095
          69
 Energy    -248.29854049518536     
  O     -3.04117228      1.42022611      0.79361482
  H     -3.14356702      0.89000790     -0.00745364
  H     -1.00252312     -5.54417846      0.76131573
  O     -0.83885486     -2.19393010      7.14626689
  H     -2.17121055      1.83046325      0.70959904
  H      0.91684273     -0.22689927      2.06201521
  O     -0.99274946      0.23709073      4.44617489
  H     -0.27214730     -2.19325529      6.36581604
  H      0.18405721      0.66549610      3.08938832
  O     -2.03440772      0.39232854      7.04063373
  H     -1.22060719     -1.30852727      7.20570843
  H     -2.28627434     -1.24162195      1.74491359
  O     -2.56966823     -4.26356703      6.83156143
  H     -1.26186937      0.45641282      5.34614621
  H     -2.37654147     -2.57076587      0.93564176
  O      0.15036256     -2.26090948      4.43695078
  H     -0.58931611     -0.64381179      4.48597725
  H     -4.00091965     -1.99746034      2.99730536
  O     -0.13544919     -4.89869682      2.08410398
  H     -2.90331762      0.21191033      6.63613348
  H     -4.19649854     -3.29902362      2.16011589
  O     -4.88581437     -2.86756940      5.81803154
  H     -2.17124197      1.06033306      7.70630791
  H      0.09825942      1.76301610      1.10576501
  O     -2.70363463     -0.51465596     -1.23062889
  H     -1.96406843     -3.52996052      7.04042852
  H      0.04975604      3.16835316      0.45996666
  O      0.81320188     -2.17926563      1.64166453
  H     -2.51617330     -4.88120884      7.55567354
  H      2.06651257     -2.12870925     -1.67653976
  O     -0.94736104     -3.77500234     -1.90655788
  H     -0.56685206     -2.90582937      4.33965153
  H      0.86124758     -1.24375986     -1.28182588
  O     -1.56634372     -5.79433560      0.00683128
  H      0.62657404     -2.26157744      3.59939637
  H     -2.50470947     -0.03482181      3.49333612
  O      0.74111378      0.68937025      2.29884397
  H     -0.72479598     -4.74936309      2.83737903
  H     -3.32652718      0.43351303      2.24560680
  O     -1.81867933     -1.80171467      1.11239038
  H      0.33441694     -4.07079792      1.93789848
  H     -0.02505836      0.99365554     -0.94420228
  O     -4.18714137     -2.94442738      3.05832898
  H     -4.18246108     -3.38100957      6.23275884
  H     -0.96450169      0.01045012     -1.64683068
  O     -0.32933793      2.29483118      0.41072439
  H     -4.81284476     -3.03460432      4.86918998
  H     -3.88247277     -3.31309259     -3.06594310
  O      1.29393704     -2.10190884     -1.11777205
  H     -3.12257073     -1.24276510     -1.70230209
  H     -2.58687412     -3.26834486     -2.21566585
  O     -3.27781385     -0.23741356      2.94514228
  H     -2.30314582     -0.91322865     -0.44233846
  H     -4.21862170     -0.04337414      4.76049417
  O     -0.02944034      0.22456096     -1.52644544
  H     -0.13834389     -2.03484386      1.49635387
  H     -4.59468675     -1.08337590      5.83584389
  O     -3.52729324     -3.00946526     -2.23524586
  H      1.19626205     -2.20174707      0.75562927
  H     -2.10287885     -4.33929856      5.04246547
  O     -4.31015178     -0.16492681      5.70995136
  H     -1.02579793     -4.51509284     -1.29084264
  H     -2.67201286     -3.73233187      3.73480281
  O     -1.88245326     -4.13015099      4.12570612
  H     -0.18291068     -3.25649916     -1.63219846
  H     -2.99888189     -4.64055515      0.36474100
  O     -3.59176121     -3.88301373      0.46197693
  H     -1.52787425     -6.74388831     -0.06578975
  H     -3.78085159     -3.57698338     -0.43459867
          69
 Energy    -248.29826225437833     
  O      0.49301141     -1.15239102      5.72289389
  H      0.84211411     -1.25798387      6.60492916
  H     -5.98226204     -2.06800040      2.08635709
  O      2.09443582      0.05592531     -2.07358367
  H     -0.01628427     -0.32198957      5.72940563
  H     -1.82876800      4.98304224      1.46943653
  O     -1.94947723     -2.66918715      5.26092891
  H      2.06185893     -0.90732884     -2.01802399
  H     -2.02048207      3.55040399      0.91279536
  O     -0.18622452      0.57357732     -0.50543784
  H      1.25157886      0.35769560     -1.70680250
  H     -3.26157207     -1.62616938      4.74160829
  O      1.90598240     -2.71152163     -1.34822827
  H     -1.87081666     -3.36897143      4.60075027
  H     -3.94397978     -0.21309307      4.80530754
  O      3.35415283     -1.86142309      0.82768129
  H     -1.07828640     -2.26765120      5.36266843
  H      0.37845054      1.93888879      2.63512698
  O     -4.00196150      2.60008760      3.00948206
  H      0.36149449      0.68990250      0.28215726
  H     -0.84533500      2.91200088      2.69192281
  O     -3.05895637     -3.45675014      0.84346296
  H     -0.49711155     -0.34186183     -0.50704895
  H     -2.98112136      1.85619924     -0.11534945
  O     -0.94513939      1.14966615      5.65616708
  H      2.40345529     -2.48575393     -0.54233460
  H     -1.50440276      1.84999099     -0.54365341
  O      3.78517537      0.82544829     -0.09669817
  H      2.33766217     -3.47205870     -1.72882414
  H     -2.43738929     -0.41372089      3.24689926
  O     -3.90832768      0.61757994      0.97025636
  H      3.03976585     -1.76181134      1.73409822
  H     -1.34789215      0.63505649      2.83669598
  O     -5.09447289     -1.75437052      1.93355168
  H      3.65473046     -0.98376112      0.55925184
  H     -0.52666556     -2.29807439      0.47248822
  O     -1.91365288      4.07075760      1.73074049
  H     -3.36109355      3.22950975      2.65823650
  H      0.04307882     -2.46125550     -0.93852059
  O     -3.86868626     -1.02222949      4.28465879
  H     -4.13217411      1.94784466      2.30896698
  H      1.25881281     -1.73462634      2.83047557
  O     -0.39493181      2.19622918      3.15680733
  H     -2.46221387     -3.00422230      0.23580062
  H      1.66824803     -1.14573064      4.17631469
  O     -2.25659886      2.43696646     -0.38276534
  H     -3.75876567     -2.83696320      1.08330742
  H     -3.88652364      1.95396905      4.61377867
  O     -1.77623719     -0.19119745      2.57815310
  H     -0.67373283      1.63864748      4.86569502
  H     -4.35342548      1.97321074      6.08940280
  O     -0.75523488     -2.19633661     -0.46512156
  H     -1.89886867      1.26932718      5.72153648
  H      2.39175954      1.11659446      1.12180865
  O      1.96865970     -1.23222764      3.26486611
  H      4.53151476      1.33389196     -0.40065906
  H      1.75818864      0.27925949      2.26129378
  O     -3.79723148      1.50371539      5.47372955
  H      3.24806597      0.61269813     -0.88139215
  H     -2.34471992     -4.19068725      2.26163174
  O      1.60501155      1.03363211      1.67386071
  H     -4.49734638     -0.13200653      1.10747655
  H     -1.78837345     -5.43492011      2.99467496
  O     -1.84193508     -4.48436080      3.04334524
  H     -3.06916341      0.35264594      1.37794977
  H     -0.78568073     -1.62575451      2.37455144
  O     -0.21028059     -2.39122071      2.20842721
  H     -4.72361985     -1.52799481      2.80422877
  H     -0.66225470     -3.17605459      2.53919243
          69
 Energy    -248.29821448779728     
  O     11.64360821     10.05170522    -11.39770175
  H     10.92777687     10.59370028    -11.07715154
  H     13.99095026      4.68832901    -11.59256985
  O     13.66052843      4.42959567    -14.51374093
  H     11.79167230      9.35621877    -10.73147207
  H     12.99703323      8.39604899     -9.08492615
  O     15.08788220     11.65946896    -14.35640707
  H     14.48139634      4.70851850    -14.94143986
  H     12.53443020      7.35637264    -10.14876047
  O     14.44043129      9.09208559     -8.21567237
  H     13.92377600      4.05596974    -13.66514834
  H     18.71367138      5.11650633    -12.97767358
  O     11.73669355      8.96745226    -14.05745873
  H     14.48809855     11.20164547    -14.95593213
  H     20.19474513      4.68120993    -12.93143770
  O     17.77571926     11.58428707    -14.43040959
  H     14.80499026     11.42424047    -13.46123186
  H     12.71457437      9.69807188    -15.28244657
  O     14.33916094     10.69543362    -11.86137712
  H     15.16038070      9.40088656     -8.78638254
  H     12.80219117     10.30934019    -16.70179097
  O     17.06504587      7.29865359    -11.26226279
  H     14.71392081      9.28698487     -7.32256030
  H     12.31119174      5.53275540    -14.24740333
  O     18.74613316      6.19611043    -15.84787725
  H     11.68258551      8.00558415    -14.00923171
  H     10.77337362      5.67677937    -14.22384654
  O     16.91246609      4.91157921    -12.72987949
  H     11.65504223      9.30503846    -13.15759935
  H     15.05446051      8.07699487    -14.38967698
  O     16.11798860      5.51094377    -15.34238639
  H     16.80353942     11.65403518    -14.43366402
  H     14.63532664      8.74519929    -15.72016136
  O     14.49130643      3.87459904    -11.77542096
  H     18.11108740     12.39030782    -14.81336287
  H     13.70429461      6.88227271    -11.92462334
  O     12.24892122      8.12136832     -9.63482994
  H     13.42480567     10.58185908    -11.57170503
  H     12.40142430      6.13557833    -12.25540010
  O     19.61824797      5.39332616    -13.19749585
  H     14.93743220     10.48984034    -11.13097170
  H     17.05113336     10.26064676    -10.56697915
  O     13.32852036     10.06015599    -15.94729070
  H     17.84464160      7.68118689    -11.69182185
  H     16.53802396      8.83924246    -10.31359336
  O     11.58050168      6.09705748    -13.93759192
  H     16.98564988      6.40535169    -11.61983829
  H     18.80958383      8.41024496    -13.56751351
  O     15.25614209      8.11556465    -15.33794166
  H     18.61551454      7.14755989    -15.73847012
  H     19.57914119      7.28162164    -12.84058118
  O     13.08184116      6.22474929    -11.57561929
  H     19.20934441      5.90219904    -15.05494172
  H     15.64374023      7.84687080    -12.19604241
  O     16.35604714      9.76633834    -10.10684663
  H     16.62935942      5.14593998    -13.62683877
  H     14.61046601      8.98735193    -12.44258601
  O     19.23905708      8.17729079    -12.72964405
  H     16.17732338      4.43014828    -12.33164412
  H     18.86098436      9.92517320    -11.95978997
  O     14.81595154      8.06548415    -12.64544025
  H     15.73210058      6.39453723    -15.43633416
  H     18.15034356     11.12260712    -12.59617454
  O     18.35416794     10.71817634    -11.74426809
  H     17.02525057      5.58957795    -15.66933465
  H     17.98251348      9.81887953    -14.98116919
  O     17.95631938      8.86085773    -15.10220949
  H     14.19873307      3.22333529    -11.14315387
  H     17.02489042      8.63135155    -15.22524217
          69
 Energy    -248.29813776547041     
  O     16.36139759     12.77791155    -16.72672886
  H     16.36634327     13.45056685    -17.40204714
  H     17.23587617      7.28757399    -18.05759449
  O     15.55228618      7.06451809    -13.10308300
  H     15.44250248     12.70427553    -16.41084000
  H     14.45653241      9.56853732    -14.97564722
  O     17.93215632     12.54000975    -14.34311038
  H     15.30662449      7.47683321    -12.25985223
  H     15.28152108      8.61100782    -14.05303423
  O     18.98099370      6.74598992    -17.68722215
  H     16.50549232      7.14373878    -13.24226686
  H     12.78583034     10.73580762    -12.46511035
  O     13.62714469      7.62090864    -17.87877172
  H     17.47874310     12.71842925    -15.17478017
  H     12.21294895      9.34998793    -12.83581682
  O     16.96656550     10.24416199    -10.49786389
  H     17.24004193     12.27876624    -13.72032557
  H     18.68695173      8.35536924    -12.60331242
  O     11.36384255      8.43514585    -14.29437345
  H     19.28234676      7.46253874    -17.11133163
  H     19.32685746      9.75707339    -12.66654147
  O     13.37185335     12.52518237    -13.01713500
  H     18.68906189      6.04445520    -17.09575711
  H     13.18781177      9.10428978    -16.79254068
  O     14.77419909      8.44892942    -10.93819330
  H     13.30788917      7.47438879    -18.76600975
  H     12.32973119      9.40493626    -15.53080091
  O     14.63842576      4.87241048    -14.37182613
  H     14.59666289      7.56391103    -17.92110038
  H     19.72698461      9.59001929    -15.27995781
  O     16.94601516      5.54799764    -15.89392534
  H     17.67228651      9.81750537    -11.01766291
  H     18.49795768      9.36930188    -16.18511780
  O     16.34940009      7.60842639    -17.84245036
  H     17.34380901     10.46553934     -9.65109306
  H     18.60501859      7.79469188    -14.59137096
  O     15.28828261      9.46902093    -14.49501062
  H     11.75954318      7.62563742    -14.66489860
  H     17.83616554      6.46988771    -14.56709255
  O     12.67896330      9.83385665    -12.14378009
  H     10.42647015      8.27359691    -14.22354191
  H     20.84773046     11.43635483    -13.86618039
  O     18.85756515      9.14904273    -12.08166831
  H     13.18102981     13.26424418    -12.44464593
  H     19.32542806     11.52960568    -14.13005634
  O     13.00963666      9.76788858    -16.11467724
  H     14.29241201     12.26330004    -12.83942066
  H     16.75916458     10.96473326    -16.81513057
  O     19.29740840      8.93859700    -15.84750986
  H     15.45361330      9.07587467    -10.66690589
  H     16.37784706      9.82827509    -15.83263906
  O     18.19251001      7.15921340    -13.98938785
  H     14.02424214      8.96331881    -11.27438873
  H     15.69081716     10.77260272    -13.31184616
  O     20.06231116     10.90900064    -13.98402029
  H     14.91890083      5.64545944    -13.84704612
  H     16.23612083     11.15541531    -11.90172046
  O     16.87235777     10.02325788    -16.64417908
  H     14.55274074      4.14235339    -13.76401595
  H     13.60316205     12.56854634    -14.90048773
  O     15.88638955     11.51944546    -12.72461816
  H     16.62148646      6.24136209    -16.48376735
  H     13.47338731     11.55847077    -16.05272426
  O     13.83255759     12.42716780    -15.82691939
  H     16.16513800      5.16153181    -15.47967595
  H     13.21665426      5.76468261    -15.17379376
  O     12.55128577      6.35272379    -15.55174116
  H     16.47806622      8.50410589    -17.49567566
  H     12.91365548      6.67277662    -16.38677774
          69
 Energy    -248.29807823813258     
  O     13.54012334     11.90010646     -8.45092571
  H     14.30892704     12.39752030     -8.78614145
  H     12.64395305     13.59420845    -11.41225983
  O     11.27475504     11.21832346    -15.32391118
  H     13.58542316     11.92813292     -7.49931704
  H     12.36079350     14.16694006    -15.72910563
  O     13.99316008      9.51935285    -10.02019690
  H     11.28444334     12.11261155    -14.95086097
  H     13.16411466     13.27366626    -16.69767477
  O     18.73048635     12.75182568    -13.26133260
  H     11.88730890     11.22754386    -16.06965475
  H     15.49386374     12.07422719    -12.59790895
  O     11.65847302     12.36211646    -10.46580124
  H     13.14058068      9.44327076    -10.46803289
  H     14.18483415     12.90653722    -12.76764066
  O     11.65694866      9.81127333    -11.56484698
  H     13.90076603     10.26677115     -9.41845533
  H     16.89878453     13.05654206    -15.64637379
  O     13.25817995     10.06670691    -13.76294506
  H     18.36094057     12.55236283    -14.14039735
  H     17.03516752     11.55304966    -15.92694722
  O     15.22595186     15.60406451    -10.99071264
  H     19.67608487     12.80817956    -13.36811671
  H     14.24692826     10.99541247    -16.87111604
  O      9.48963366     10.45179444    -13.17448940
  H     11.65896658     11.47992871    -10.86821106
  H     13.39732887     11.26340091    -18.12684823
  O     15.51196828     14.13266586    -15.11770701
  H     12.19666536     12.28513430     -9.66798625
  H     15.48145597      9.13112929    -10.85004004
  O     11.28481647     13.77019092    -14.14844157
  H     10.79247748      9.85511607    -11.99575215
  H     16.75135689      8.25228248    -10.83939835
  O     13.09254314     14.13549088    -12.07711437
  H     12.29691958      9.82333534    -12.29341544
  H     15.99031841      8.77174458    -13.20624716
  O     13.06615632     14.18242598    -16.38747610
  H     12.53813678     10.36692462    -14.33103398
  H     14.70918994      9.05584773    -13.99736946
  O     14.76400727     12.26415649    -13.20119424
  H     13.81690734     10.84004316    -13.58448341
  H     16.27265922      9.53824294    -17.06370577
  O     17.53841210     12.32932157    -15.65849310
  H     15.30717171     16.51788093    -10.73183422
  H     15.82327659      9.63955687    -15.59323716
  O     13.42682957     11.40651747    -17.18263378
  H     15.89002878     15.45078736    -11.68763178
  H     17.61620698     11.96413249    -12.03745087
  O     16.32798776      8.96903885    -11.30493273
  H      9.95253029     10.58487680    -14.01157518
  H     16.83766225     10.73673696    -11.43073024
  O     15.63264888      8.77603329    -14.09993572
  H      9.30568059     11.33693406    -12.83750495
  H     10.16612053     12.91706083    -11.39604548
  O     15.85727384     10.12589390    -16.43632883
  H     15.26898052     13.42691485    -14.49817438
  H      8.76612861     13.54833855    -11.54773514
  O     16.87896912     11.70102234    -11.47094671
  H     14.71373761     14.32657574    -15.62486460
  H     17.66770961     14.40415173    -12.96643009
  O      9.46291101     13.11548135    -12.03539663
  H     10.50324169     13.66478189    -13.59341951
  H     16.48035973     14.93781032    -13.78246234
  O     16.98819317     15.08610065    -12.97105913
  H     11.99162618     13.99723955    -13.52637467
  H     15.52860400     14.08743551     -9.91253698
  O     15.62169160     13.21826249     -9.50602658
  H     13.73101819     14.71205995    -11.63999025
  H     16.13203839     12.68273453    -10.12965581
          69
 Energy    -248.29797726055477     
  O     17.47380635      7.80099709    -16.13268689
  H     18.26404258      7.32599136    -16.41857234
  H     20.46377534      5.76250592    -13.53629246
  O     19.74200421      7.61212567     -9.43678105
  H     16.80440232      7.12649558    -15.93823908
  H     18.19516429      3.96989323    -12.35526203
  O     14.71444497     10.16752604    -10.85727841
  H     20.43018802      7.76665599     -8.79571628
  H     18.68338391      5.33439190    -11.81340444
  O     13.63102272      7.86710388    -15.70694746
  H     19.23007938      8.43980750     -9.50458474
  H     15.65109237     10.19226966    -17.30085104
  O     19.60177021      6.08926521    -16.69900164
  H     14.06460089     10.59309304    -11.42581596
  H     16.34805235      9.17838200    -16.37024173
  O     12.44915987      8.16660599    -13.06406596
  H     15.58129697     10.31147715    -11.26714288
  H     17.83399087      8.15922447    -14.34092987
  O     17.55466469      5.78706068     -9.16984287
  H     14.18967544      8.62394332    -15.92393183
  H     17.14621552      7.53842483    -13.10662733
  O     14.17276724      7.47856691    -11.02222479
  H     13.26902531      8.03064764    -14.82909951
  H     15.28708340      9.82015517     -9.07982073
  O     19.82527779      6.73648254    -12.08977261
  H     20.00209932      5.82134468    -15.85206720
  H     15.53711512      8.51938219     -8.29791610
  O     15.07521229      6.63047957     -8.53885362
  H     20.28993153      6.03328442    -17.35639980
  H     18.86455030      2.07540644    -13.98336145
  O     15.96601065      6.21518533    -12.73632907
  H     13.00985998      7.83152155    -12.34511478
  H     18.26082298      3.33661660    -14.64491222
  O     20.54804683      5.20289354    -14.32006479
  H     11.65940658      7.62980960    -13.06508353
  H     12.08671468     11.42746182    -12.94569129
  O     18.00491563      4.65147092    -11.69919775
  H     18.29926796      6.40102426     -9.16461091
  H     12.65753790      9.99337243    -13.01996436
  O     15.62511918      9.82519808    -16.41976842
  H     17.67678927      5.22952312     -9.94875578
  H     17.44155572      9.73119638     -9.08537051
  O     17.83089131      8.16777595    -13.37629909
  H     14.40799151      8.41716311    -10.95512155
  H     17.96653804     10.21385359    -10.46072214
  O     15.78746395      9.44927338     -8.34046687
  H     14.36083425      7.09284385    -10.15683954
  H     17.44193736      9.73635612    -12.55939343
  O     18.72531246      3.00955622    -13.85362114
  H     19.92633302      7.06005755    -11.18566914
  H     16.65557647     11.03589439    -12.83971014
  O     12.89882799     10.92688780    -12.91647900
  H     19.21611565      7.33887893    -12.54169068
  H     14.78779103      6.47067274    -15.64263263
  O     18.23975631      9.81424927     -9.62690686
  H     14.77051852      6.14001611     -7.78039993
  H     15.65344825      5.93262557    -14.47614329
  O     17.12839075     10.55306698    -12.14582781
  H     15.97414862      6.30995449     -8.73699015
  H     16.77959869      4.61977909    -15.92406225
  O     15.55127429      5.91258741    -15.43960353
  H     16.57184661      5.60370775    -12.29576636
  H     18.23463554      4.71037299    -16.42894150
  O     17.58483007      4.10114931    -16.05943781
  H     15.35432692      6.58178072    -12.08641563
  H     14.56431621     11.39470969    -13.80458076
  O     15.46522213     11.51407474    -14.12649374
  H     20.06980555      4.38960789    -14.11866037
  H     15.53504339     10.97753521    -14.92605806
          69
 Energy    -248.29790173136229     
  O     10.53431961      8.93923880     -8.78358967
  H     10.48866338      9.65789113     -9.43791068
  H     10.55224427     10.87643579    -11.55885329
  O     13.63398693      9.30718572    -16.99065324
  H      9.63482170      8.71324016     -8.55951222
  H     12.89792526     13.10279430    -13.20494245
  O     12.04376197      7.31637977    -10.68577116
  H     13.23116313     10.18520627    -16.86696474
  H     13.81636356     11.88651583    -13.49315011
  O     14.38311753      9.04290885    -14.27142978
  H     14.08846148      9.32739545    -17.82815285
  H     17.79326910      9.15532126    -11.05742752
  O     12.69071168     12.87358918     -7.36859173
  H     12.96625905      7.38544550    -10.40571126
  H     16.94343446      9.87550276     -9.98075917
  O     12.35580779     11.65347513    -16.45227285
  H     11.52327942      7.75150815    -10.00183503
  H     12.53786668     15.35763589    -12.15868639
  O     11.90305778      8.20138905    -13.29853452
  H     14.24757065      9.08646839    -15.22489771
  H     12.31323665     14.16564011    -11.19914156
  O     14.91699133      8.65245972     -7.13356739
  H     13.57314863      8.66638897    -13.89967200
  H     15.44366798      8.35367589    -10.29406720
  O     13.49391836     10.51292791    -10.55093558
  H     12.86610744     13.44646387     -6.62602473
  H     14.77264135      8.13533105     -8.91100437
  O     12.58360498     10.00415474     -7.12569759
  H     13.52101595     12.80519654     -7.87282312
  H     11.48854183     11.30709698    -13.49557933
  O     15.47508186     13.59820376    -11.39176586
  H     11.43213733     11.38467687    -16.36877877
  H     10.24211825     10.70588783    -14.19901424
  O     10.78774701     10.92639004    -10.62270053
  H     12.61653387     11.99516108    -15.58718615
  H     14.29498334     11.72232360     -9.44408944
  O     12.99278310     12.31351401    -13.75489758
  H     11.45979865      9.05705042    -13.23268765
  H     15.14642820     12.97397361     -9.72107403
  O     16.92007812      9.49377123    -10.87641666
  H     11.91186120      7.81350807    -12.41260703
  H     15.94484262     10.53419761    -12.07559230
  O     12.81944222     14.46514840    -11.97484895
  H     14.97110462      8.10832570     -6.35279582
  H     15.02927659     10.26053545    -13.29286938
  O     14.63806688      8.04247203     -9.86415237
  H     14.07827774      9.14554506     -7.07634670
  H     10.22144825      9.56121043    -16.04893602
  O     10.69631043     10.76955896    -13.35025090
  H     14.01349301     10.70439616    -11.34196892
  H      8.97580759     10.38236073    -16.46491161
  O     14.80648132     12.41923686     -9.00518728
  H     13.74769453      9.62530241    -10.26734209
  H     16.15853039     11.26044277     -8.47241299
  O     15.29416758     10.94970965    -12.65741430
  H     11.84971026      9.63639688     -7.63377633
  H     16.20960397      9.86644756     -7.81992194
  O      9.79461076     10.43518680    -15.98056906
  H     12.50451047     10.96399734     -7.16442961
  H     11.02627038     12.68739522    -10.10288014
  O     16.72153517     10.48211992     -8.35933483
  H     14.62409218     13.99415913    -11.62266362
  H     11.75518586     13.41479681     -8.96124770
  O     11.40419592     13.54081152     -9.84997066
  H     15.55993077     12.81185521    -11.94277468
  H     12.04679429      8.36154639    -16.43804134
  O     11.20916633      8.12336113    -16.02116807
  H     11.74995944     10.79527469    -10.58164365
  H     11.41520872      7.94757236    -15.09203166
          69
 Energy    -248.29780635445223     
  O     10.50361949     11.24570630    -10.52359034
  H      9.78873093     11.26068635     -9.89261924
  H     11.45154843     11.50569828    -17.42878002
  O     14.33570660     10.42452114    -12.72173405
  H     11.30897803     11.50663002    -10.04205674
  H     14.79854152     13.67738216    -15.53732353
  O     15.65859681      7.25493074    -12.64063532
  H     14.25206430      9.76152401    -12.02662066
  H     15.28559042     12.21622400    -15.51291662
  O     10.85113332     12.50597654    -13.01851737
  H     15.26350040     10.67618078    -12.80859837
  H     13.95862477     13.82176963    -11.35006316
  O     13.36367501     14.51771670    -16.42812280
  H     15.32008341      6.98100954    -13.50198412
  H     14.14240300     15.07632219    -10.46138095
  O     15.03923632     10.66334570    -16.41988426
  H     16.43224012      7.79986217    -12.82907693
  H     17.27389455      8.70551253    -15.22608215
  O     14.95328538     10.13987073     -9.06700824
  H     10.61512505     12.15853367    -12.14967813
  H     16.17228514      7.89426718    -15.91989794
  O     13.56524935     13.00342137    -12.86492926
  H     11.78730652     12.75048771    -12.96924806
  H     15.73023532     12.95722949    -10.40564396
  O     13.24435245      9.19507530    -14.90316512
  H     13.29193395     15.38945919    -16.80826310
  H     15.96218916     11.49120636    -10.00072268
  O     17.83264732      8.99605026    -13.41586070
  H     12.48603869     14.29907182    -16.06683432
  H     10.52295362     10.44263246    -15.45032714
  O     12.78940547     11.97276932     -9.28142552
  H     15.77781227     10.04038470    -16.44706458
  H     10.73153005     10.94310976    -14.00983045
  O     10.54784806     11.33016538    -17.11045613
  H     14.33165881     10.19712062    -15.95205771
  H     14.06378123      7.64960698    -15.18382420
  O     15.32969360     13.05369303    -15.02549300
  H     15.27236511      9.69972215     -8.28307618
  H     14.13622021      6.19598557    -15.70692235
  O     14.21352940     14.12558414    -10.46144568
  H     14.59056220      9.44765784     -9.64660817
  H     13.21392136     12.91633641    -17.52434994
  O     16.82491354      8.58929288    -16.07233821
  H     14.11401447     13.18046094    -13.63883297
  H     13.81278532     11.50134398    -17.53082908
  O     16.34448840     12.21983081    -10.50544984
  H     13.71423291     12.06332702    -12.67296233
  H     11.03533564      9.63033305    -11.38088010
  O     10.69742045     10.14033844    -14.54917461
  H     13.65304366      9.58270078    -14.11400700
  H     11.10098926      9.06079884    -12.80077508
  O     14.64664285      6.87592823    -15.27521421
  H     12.31741258      9.46242657    -14.88015379
  H     16.79186686     11.87977371    -12.18716410
  O     13.06842527     12.02367789    -17.85923223
  H     17.58453727      9.93036335    -13.31773331
  H     16.51995299     12.19553975    -13.70688582
  O     11.37561124      8.88658356    -11.89535510
  H     18.74605160      8.92815861    -13.14772468
  H     10.65041107     12.97950254    -16.11903902
  O     16.87952029     11.54356323    -13.09429461
  H     13.49389434     11.33302321     -9.12166654
  H     10.74731762     13.42984901    -14.65299803
  O     10.90217639     13.72464280    -15.55953522
  H     13.22737178     12.78317604     -9.56844496
  H     14.47828262      7.85958783    -11.44810518
  O     13.91370243      8.39890862    -10.87193673
  H     10.00760028     11.19382552    -17.88427709
  H     13.00761106      8.40772866    -11.21509181
          69
 Energy    -248.29771348046449     
  O     14.94284539      8.86610485    -10.22887793
  H     14.68984165      9.67168841    -10.70159397
  H     17.42639081      4.65588714    -11.97802632
  O     12.34246174     11.45170487    -15.22217882
  H     15.76090374      9.02335058     -9.74267439
  H     12.62410420      6.81453705    -10.70143120
  O     16.71818153     11.15693552    -13.08041320
  H     11.50252671     11.46932346    -15.67488435
  H     13.73177804      7.56801492     -9.93257440
  O     13.13558555      4.89101208    -13.45520010
  H     12.36626919     10.62328539    -14.71642201
  H     18.01061850      8.70746935    -15.64032536
  O     17.46896916      6.16984964     -9.37182543
  H     15.85128655     10.97961078    -12.69104203
  H     19.33438898      8.16730785    -16.20177483
  O     16.04495201     13.51903228    -14.32305293
  H     17.38840862     10.79343299    -12.48375564
  H     12.97519643     12.72171980    -13.90486357
  O     15.83653430      7.39965922    -12.45192921
  H     13.35254263      5.02418377    -14.38933025
  H     14.28001986     13.46312769    -13.56084328
  O     14.16132321     10.79340213    -12.00463463
  H     13.95717849      4.64170485    -13.01782892
  H     13.39308757      8.72966305    -14.23986494
  O     18.59232337      7.48158886    -12.81916426
  H     16.62104154      5.72011414     -9.26374843
  H     12.24514553      8.42925665    -13.24283865
  O     18.47672014      9.89344500    -11.43008196
  H     17.90050223      5.74395612    -10.12018463
  H     15.30291647     12.56225941    -15.82507629
  O     13.90583620      5.59030654    -16.02486787
  H     16.72137065     14.18936816    -14.27369918
  H     14.04178803     11.72740294    -16.10574681
  O     18.36705334      4.84032989    -11.81766154
  H     16.39088815     12.73869793    -13.85685426
  H     12.18273102      6.15243503    -12.77029039
  O     13.18317139      6.76981475     -9.91802306
  H     15.53631339      7.89419026    -11.67968414
  H     10.77028515      6.60755941    -12.33650115
  O     18.68519480      8.02009607    -15.51835705
  H     16.79170916      7.52531403    -12.53806943
  H     14.58225105      4.23957553     -8.65987487
  O     13.44059815     13.16786458    -13.18550834
  H     13.87496139     11.68809822    -12.23672993
  H     14.26023068      5.50663425     -9.48883924
  O     12.67844778      9.14053859    -13.73000003
  H     13.63584934     10.18851994    -12.54565988
  H     15.34140485      4.58257628    -11.11209555
  O     14.94349444     11.88353194    -16.41125581
  H     18.69833875      7.57614199    -13.77763101
  H     15.62101366      5.63657290    -12.21195740
  O     11.68262318      6.88506598    -12.36537830
  H     18.69236862      6.55252602    -12.58205197
  H     15.17152143      7.69243946    -14.06334064
  O     14.94030817      4.82897986     -9.31753996
  H     18.20303413      9.62884320    -10.54430401
  H     15.45267636      8.61845290    -15.27534586
  O     15.61641932      4.68154426    -12.03377858
  H     18.67400930      9.07006621    -11.89859755
  H     17.74409386      9.05093686     -8.08770178
  O     14.83977159      7.95453973    -14.93614652
  H     14.43933445      5.31939451    -16.76763368
  H     17.50759053      7.89434958     -9.08806391
  O     17.45070576      8.86017392     -8.97458965
  H     14.25806529      6.45014149    -15.74319448
  H     16.77819412     10.29990712    -14.68440312
  O     16.67856013      9.92898813    -15.57363081
  H     18.82818740      4.00985293    -11.90395520
  H     16.11868249     10.55492549    -16.05458512
          69
 Energy    -248.29768311686740     
  O     18.03550865      8.66740439    -10.36229112
  H     17.18853333      9.11250326    -10.51115308
  H     18.49107217      9.80024308     -8.97562725
  O     14.39226873      8.73428177     -8.87908929
  H     17.87010176      7.73982740    -10.16149131
  H     18.87637648      9.13687459    -11.79287815
  O     20.28019598      3.49843229    -12.74722193
  H     15.15725560      8.71953996     -8.27640431
  H     19.43461036     10.35276335    -12.57126750
  O     21.32997052      7.64673123    -12.13146767
  H     13.63220777      8.94630745     -8.34297709
  H     20.90648107      4.99892716    -13.79839832
  O     16.57734949      8.79670603     -7.27231253
  H     19.37081797      3.62256380    -13.07494739
  H     21.24674712      6.49303866    -13.60840782
  O     18.62241163      6.15589278    -15.56163506
  H     20.48931428      2.57468207    -12.85309725
  H     17.99573801      4.68146075    -14.46760036
  O     22.37627197      8.60917738     -9.68158264
  H     21.80311119      8.02052004    -11.37777883
  H     17.19138179      4.52104264    -13.16558410
  O     18.17976920      6.44098077     -7.24802196
  H     20.65781027      8.29453467    -12.38696564
  H     15.16551830      9.79142170    -10.16981892
  O     20.86418022      6.80725172     -8.32942501
  H     17.11110911      8.00266629     -7.14778873
  H     15.38019413      9.91503803    -11.70938636
  O     17.77018708      5.90515989     -9.88929347
  H     17.20584863      9.50622631     -7.46013953
  H     15.67279104      8.69336939    -13.58607724
  O     17.44923673     12.32291790    -10.17197404
  H     18.75703512      6.10250796    -16.50396640
  H     14.39504772      9.42996043    -14.05045483
  O     18.53360190     10.53535351     -8.34483846
  H     19.50274297      6.09352028    -15.14826881
  H     20.24888396     10.94673377     -9.05600255
  O     19.25063094      9.40874467    -12.64838854
  H     23.26971057      8.56462827     -9.34985236
  H     21.49010800     10.26888789     -9.67783655
  O     20.98419159      5.83816452    -14.26863170
  H     21.84124532      8.02219971     -9.11806373
  H     14.14304361      7.58842022    -10.42725911
  O     17.82546530      4.07093766    -13.74000340
  H     17.93805231      6.16858331     -8.15041213
  H     14.14178878      7.82590794    -11.95342568
  O     15.73418156     10.17650654    -10.85060579
  H     18.03688297      5.68276678     -6.68600682
  H     17.67130555      7.35893934    -14.54597745
  O     14.84063932      9.09055520    -13.27851065
  H     20.03638846      6.80053404     -7.83779567
  H     17.96319720      8.48485288    -13.51627527
  O     20.96755593     11.07917916     -9.68830411
  H     20.74874476      6.17929798     -9.05636611
  H     20.22935038     12.82548919    -12.23539463
  O     14.06489356      7.14019735    -11.27820639
  H     18.66282966      5.68299918    -10.19348353
  H     20.26450881     11.74687607    -11.12685966
  O     17.26179224      7.92482782    -13.87913868
  H     17.17839227      5.77689586    -10.64202278
  H     16.66124478      6.55281832    -12.72571014
  O     19.77590127     12.05067711    -11.91463802
  H     18.14502288     12.31909320    -10.83971103
  H     15.43262810      6.14612928    -11.86879818
  O     16.28835748      5.83421293    -12.19785703
  H     16.78313738     11.69078918    -10.47528083
  H     20.65340073      6.19425742    -11.23966104
  O     20.34518940      5.42933941    -10.73264910
  H     18.13180187     11.28675024     -8.80789383
  H     20.37653531      4.67065223    -11.32798955
          69
 Energy    -248.29767777411615     
  O     16.53989748      9.84250097    -15.26104153
  H     17.28562254      9.22446379    -15.22572967
  H     14.46084193     11.94121730    -11.94652386
  O     15.03649132      8.06983190     -8.84453359
  H     15.73862838      9.32739882    -15.43157006
  H     17.69843063      4.72761406    -15.30870204
  O     17.09857312     12.44553343    -14.70741137
  H     15.40080189      8.96701828     -8.94865478
  H     18.03223992      3.35868508    -14.66668320
  O     12.73429976      9.01374592    -10.25200294
  H     15.15251888      7.83086547     -7.92889730
  H     15.54957611      7.21064946    -10.44452637
  O     14.32023092      8.23738865    -15.43872354
  H     17.15876412     12.96087752    -15.50824866
  H     15.87820406      7.88794291    -11.79405805
  O     18.56419658      8.03463352    -14.89273603
  H     16.87070309     11.53877773    -14.97595363
  H     18.12535914      6.72032967    -16.14817496
  O     20.76953819      9.46027808    -13.94671730
  H     13.10873623      9.82422790    -10.62047649
  H     16.91981325      6.12644309    -16.92371639
  O     18.05921202      6.30476896    -12.74941459
  H     13.42453169      8.62483264     -9.70215651
  H     14.87428984      5.56141503    -16.55049912
  O     11.54535969      7.76295566    -12.32692685
  H     14.20415725      7.66212010    -14.66840140
  H     14.61129384      5.85646243    -18.04808540
  O     15.65264666     13.18433108    -12.40946803
  H     14.48182945      7.64713315    -16.18545365
  H     15.32134612     10.01016411    -12.27704932
  O     12.69480076      9.94404521    -13.79822414
  H     18.35417748      7.47491825    -14.13080515
  H     16.22411292      9.59141425    -13.48002018
  O     13.99931838     11.12562002    -11.70161897
  H     19.38528283      8.49634719    -14.68026255
  H     18.64414650     11.98425868    -13.66082549
  O     17.55059702      4.16925612    -14.52352354
  H     20.32636554     10.28769232    -13.68623686
  H     18.97475909     11.30885260    -12.30630241
  O     15.76256749      7.02333510    -11.36552723
  H     21.66446218      9.68809936    -14.18264461
  H     18.81839377      9.54298272    -10.97901807
  O     17.80030200      5.92208780    -16.58653835
  H     17.91799658      5.48977659    -13.24687663
  H     17.45940020      9.99481816    -11.55226697
  O     15.01184837      6.21563590    -17.26093598
  H     17.27333480      6.44454794    -12.20320878
  H     12.99448880      6.80335934    -12.97142833
  O     16.06657065      9.45442257    -12.53952216
  H     11.91679846      8.16569992    -11.52074302
  H     14.47953301      6.57713305    -12.57210322
  O     19.36724288     11.63544525    -13.12855490
  H     10.63751367      7.54502304    -12.13528694
  H     20.32005241      8.50791174    -12.28796083
  O     18.18338542     10.27417837    -10.97095330
  H     16.24203764     13.71777953    -11.88003895
  H     19.34196999      7.40661437    -11.84447449
  O     13.84360964      6.47612782    -13.29360921
  H     16.14052243     12.97106901    -13.21824011
  H     15.30480544     10.97636536    -10.02476746
  O     19.86934236      8.14599377    -11.51560204
  H     13.18915293      9.50637267    -14.50149054
  H     16.78245884     10.58184836     -9.79856603
  O     15.90855457     10.59544524     -9.38056475
  H     12.16581708      9.24815905    -13.38752449
  H     14.37658006      5.12480773    -14.42765708
  O     14.76713874      4.57341348    -15.12038517
  H     13.47900423     10.83546554    -12.46962241
  H     15.64776819      4.32839214    -14.81211928
          69
 Energy    -248.29748333040123     
  O     11.82325246     14.75238470    -12.59942723
  H     11.40631063     15.59389006    -12.77025399
  H     13.59555548     12.88677024    -14.25232918
  O     13.01170232      8.79869595    -17.52543909
  H     11.78055966     14.24845567    -13.42891612
  H     16.27137961      9.17272837    -11.85836108
  O     10.78374046     10.37885993    -11.93539510
  H     13.69090240      9.46463949    -17.69366408
  H     14.79805505      9.51170566    -11.54707954
  O     13.41751392      8.79286361    -14.80270582
  H     12.16841823      9.26019385    -17.61350793
  H     13.20124811      7.78662909    -13.21389760
  O     13.42453808     12.13705382     -9.53035971
  H     10.84538091      9.63674683    -11.32183112
  H     14.10620147      7.69036660    -11.98286324
  O     14.95481569     10.91622977    -17.56585015
  H     10.67729169     11.20128383    -11.43375335
  H     14.10604982     13.59696594    -10.65342710
  O     11.18849810     10.45031458    -14.60864753
  H     13.27545711      8.60204322    -15.74193769
  H     13.53944586     14.48250181    -11.77409920
  O     12.85446695      9.71547532     -8.41054463
  H     14.23055301      9.31039105    -14.75042810
  H     12.06439142      7.83479228    -11.07338073
  O     13.59172556     10.77089993    -11.92279078
  H     13.13919308     11.41125706     -8.95308260
  H     10.91346364      7.38970406    -10.14104196
  O     16.87137555     12.41045272    -11.30896399
  H     13.56327080     11.70856056    -10.39070888
  H     17.30849609     11.05472463    -12.30159464
  O     10.88541903     12.81057520    -10.67843018
  H     15.30050803     10.75656271    -16.67266675
  H     18.46553309     10.15277674    -12.79097788
  O     14.43061694     12.65453985    -13.82450382
  H     15.71233413     11.04362406    -18.13224957
  H     11.58066768     12.24654835    -14.67657214
  O     15.49341672      8.85235086    -11.38825202
  H     11.97233850      9.88409017    -14.66168268
  H     12.14410287     13.15478289    -15.78504396
  O     13.23610879      7.43437803    -12.31469037
  H     10.86164825     10.38476962    -13.70034453
  H     15.23582061     11.86935808     -8.86920276
  O     14.36046496     14.09571825    -11.44014569
  H     13.73270769      9.31598023     -8.36601034
  H     16.07008559     10.61102741     -8.61676710
  O     11.44664412      8.14190340    -10.38572524
  H     12.34558607      9.16739246     -9.02018740
  H     15.29174863     11.34337768    -14.59548279
  O     17.51620266     10.24122746    -12.79789199
  H     13.85440635     11.37804179    -12.62463596
  H     16.40491075     10.31693380    -14.31299010
  O     11.90849694     13.14114875    -14.84503375
  H     12.64892546     10.58812665    -12.02025253
  H     13.42890685     12.10428749    -17.51783753
  O     16.14559108     11.55621716     -8.79366801
  H     16.74094745     12.10642446    -10.39661561
  H     11.90369072     11.91236693    -17.56034583
  O     15.68926883     10.52146047    -14.92549133
  H     16.28350238     13.16125562    -11.41629877
  H     15.56416869      8.71245460     -9.61895234
  O     12.59252904     12.57634725    -17.42547510
  H     11.66422516     12.69642904    -10.11954128
  H     15.99854277      7.98225676     -8.32587277
  O     15.54049574      8.75425161     -8.64771749
  H     11.10504559     13.51944921    -11.29448943
  H      9.75222977     10.33348501    -17.54649115
  O     10.67133187     10.44818438    -17.31892350
  H     14.53372509     13.22754607    -13.05349794
  H     10.72342752     10.43160723    -16.34826010
          69
 Energy    -248.29732827455138     
  O     12.04282906     10.17453517    -10.19890262
  H     11.94839047      9.34558926    -10.68089594
  H     14.79360696     11.48819915    -10.24267736
  O     15.47163665     10.03788337    -13.12198339
  H     11.87124806     10.87260421    -10.84591533
  H      9.20274337     11.15160004    -15.27304602
  O     17.86744003     13.67306194    -14.39608219
  H     15.15986801     10.86349875    -12.73055854
  H     10.58466466     10.50307025    -15.10128416
  O     16.26509870      6.43583429    -13.84925948
  H     16.39791767      9.94691735    -12.86898810
  H     16.00222232     13.98955104    -14.33386219
  O     12.00555378     11.94657477    -12.40170511
  H     17.70873026     12.98903416    -15.07387905
  H     14.82378639     13.23381870    -14.99359025
  O     12.19635275     14.09509659    -14.12776045
  H     18.53826182     14.25469656    -14.74238492
  H     17.41031371     10.89480283    -16.18828673
  O     14.36040396     12.07678201    -16.33751642
  H     17.14799648      6.81285627    -13.73849817
  H     16.28017076     11.92065670    -16.46366882
  O     16.42203291      8.73618414     -9.67731465
  H     15.74595453      6.73293544    -13.09243513
  H     18.11728559      8.70602335    -15.26188278
  O     14.68409927     12.45986456    -11.95011187
  H     11.90850122     11.18950213    -12.99395823
  H     16.96387552      8.50060970    -16.25312648
  O     14.10796440      9.47717841    -15.40618326
  H     11.93626224     12.74259588    -12.94926537
  H     17.80150369     12.84678243    -12.72356139
  O     18.73857026      7.83559201    -13.66508713
  H     11.96485068     13.83421497    -15.02719733
  H     16.69017381     12.54782944    -11.70388194
  O     14.67863108     10.77144551     -9.61085381
  H     13.14818743     14.25712742    -14.14403544
  H     11.75490210      8.96052584    -13.34051619
  O     10.06441230     11.08460520    -15.67819054
  H     13.49025179     12.40319753    -16.59662516
  H     12.53714023      9.53522539    -14.55827096
  O     15.04751707     13.85969801    -14.28802299
  H     14.24227123     11.14895474    -16.08891508
  H     15.72250822      6.86744156    -15.45040708
  O     17.21441194     11.84138455    -16.23941605
  H     16.68542112      8.49607741     -8.79347884
  H     15.41847337      6.50578923    -16.92552589
  O     17.66506001      9.11487100    -16.00868232
  H     15.80584832      9.48860631     -9.59330798
  H     11.30251446     13.38992839    -17.50538702
  O     17.62233761     12.39348925    -11.88825308
  H     13.73229431     12.27939619    -11.97062055
  H     11.10018321     12.30224784    -16.42488759
  O     11.73656954      9.64175899    -14.02308414
  H     14.85322607     13.02484409    -12.71878161
  H     13.01902615      7.69236307    -11.81879523
  O     15.48137823      7.23788468    -16.31869843
  H     14.47785467      8.69526125    -15.83278396
  H     11.65849200      6.97055554    -11.68963438
  O     11.71340084     12.98565741    -16.74543675
  H     14.67838490      9.67836544    -14.64662967
  H     17.53907160      9.36871894    -11.04639344
  O     12.05774538      7.81217928    -11.89581391
  H     19.64843402      7.57146923    -13.55533139
  H     17.99948337     10.66360149    -11.79724493
  O     17.97659338      9.69516635    -11.84323185
  H     18.55926547      8.51245804    -12.98993191
  H     14.93703096      8.54174719    -12.27800729
  O     14.80201890      7.73114562    -11.76245957
  H     13.74450012     10.52103528     -9.67633075
  H     15.31039545      7.86412906    -10.95327691
          69
 Energy    -248.29724864291444     
  O     11.97961159     11.12590807    -15.34471276
  H     11.93376608     10.90316881    -14.39736163
  H     18.71523707      6.62297886    -14.07765132
  O     15.97463932      6.67294297    -12.89930220
  H     11.13907367     11.51210584    -15.57509066
  H     16.35783498     11.62952699    -18.52685669
  O     17.84907896      9.73271363    -15.92009440
  H     15.60362452      6.06563813    -13.55167242
  H     15.63540177     11.37915599    -17.18355924
  O     12.58263144      6.52810003    -14.43365367
  H     16.92873456      6.52107629    -12.88546063
  H     15.76594999      8.26379000    -13.84908188
  O     16.28642365     11.65031859     -9.42340888
  H     17.47670995     10.20823786    -16.67111594
  H     15.57762417      9.82183283    -13.97197809
  O     14.50797900      8.08465951    -11.03772149
  H     17.08428913      9.42949999    -15.40659495
  H     12.54195163     10.71078141    -12.09666879
  O     15.53023180     11.50395242    -13.32650768
  H     13.30477694      5.91933256    -14.61883468
  H     11.80743321      9.43733722    -12.53866537
  O     18.49793517      7.02260704    -15.74124307
  H     12.71943930      7.27848595    -15.03088196
  H     19.17470622      9.52920890    -12.64612736
  O     16.89202232      9.03386960     -9.77452999
  H     16.53737383     10.70780952     -9.44063717
  H     18.75666932      8.10414214    -12.26978955
  O     16.25837754      6.01620489    -17.23934621
  H     16.42594418     11.95689774     -8.53177219
  H     11.16012004      7.13486299    -11.68689805
  O     14.98251034      5.03644103    -14.97225551
  H     13.58735591      7.87874114    -11.24444035
  H     12.13318217      7.17098062    -12.88964375
  O     18.73352194      6.42964216    -13.12215873
  H     15.03460159      7.54494515    -11.64514930
  H     19.03740821     10.45615916    -14.69082948
  O     16.21877476     10.97272418    -17.85016628
  H     14.91778135     11.36797202    -12.59195324
  H     19.17950887     11.46153635    -13.52424435
  O     15.61576137      8.98966251    -14.46483186
  H     16.38976841     11.68279213    -12.92235149
  H     17.39013012     11.91976976    -10.98868475
  O     11.90518898     10.37563238    -12.74080283
  H     18.43624622      7.97649732    -15.88930861
  H     18.10209882     10.82053443    -11.79288808
  O     18.71886974      9.01614719    -11.96062225
  H     17.78765688      6.63344295    -16.26331323
  H     14.36017942      8.44381937    -17.41854416
  O     11.91630456      7.59583032    -12.04032932
  H     17.55719688      8.93736637    -10.46906808
  H     15.53475897      9.20009333    -18.06151839
  O     19.60379181     10.70864360    -13.94704706
  H     16.09143477      8.59812176    -10.09289907
  H     14.70319645     11.26375078    -10.41540351
  O     17.83241959     11.74916598    -11.82944151
  H     16.47109301      5.53683889    -18.03623826
  H     14.25601117      9.91244316    -11.02374293
  O     15.12222709      8.33045048    -18.00448928
  H     15.86557377      6.86127082    -17.52517870
  H     13.69563234     11.83334803    -15.81542241
  O     14.08357242     10.86601114    -11.03864263
  H     15.40385172      5.37539988    -15.77816615
  H     15.00411715     11.98743883    -15.03162639
  O     14.63086702     12.04193959    -15.92221238
  H     15.01453664      4.08395692    -15.02615049
  H     12.77493609      9.52700522    -15.84560078
  O     13.29952976      8.72501282    -15.95315722
  H     19.44409102      5.81171681    -12.97553602
  H     14.11336393      8.85063181    -15.43837037
          69
 Energy    -248.29699119948367     
  O     10.89819350      8.99086768    -12.94403424
  H     11.76807730      9.37375338    -13.11478804
  H     15.25909014      4.57556340    -14.06691723
  O     12.18016730      4.85815811     -8.04833052
  H     10.84840702      8.19387124    -13.48573173
  H     12.91804754      5.38126465    -11.94491331
  O     17.37349506      6.86330425    -12.90957351
  H     12.13924750      4.12919419     -7.43356052
  H     14.34109118      5.64905596    -12.49486628
  O     15.09064342      2.84335873    -13.78515658
  H     13.09189194      4.87467512     -8.37769392
  H     10.74695918      8.72157222    -11.21819490
  O     17.09431345      6.33811937     -9.03456375
  H     17.60515087      7.50985020    -13.58824802
  H     10.26913985      9.17388602     -9.81721743
  O     13.63521887      7.46706405    -15.10353109
  H     16.98626045      7.36026698    -12.17591898
  H     18.50657592      9.12682480    -15.34702206
  O     12.66944721      2.22063446    -12.27782367
  H     15.76289355      2.56038969    -13.15146420
  H     16.98190734      8.89421108    -15.45034369
  O     16.41956947     10.27296130    -12.67851813
  H     14.24118971      2.60923696    -13.39386533
  H     13.60592115      7.33430110    -11.03482251
  O     16.96810475      2.21392830    -11.74388288
  H     17.58424387      6.65497628     -8.27991990
  H     12.68897339      8.38811375    -10.36241791
  O     14.52862642      2.23773558    -10.29711990
  H     16.88671419      7.11751538     -9.57796183
  H     17.73835008      5.14297915    -10.39544044
  O     14.68873384      4.83978326     -9.25180270
  H     12.72430483      7.16765697    -15.00681124
  H     17.89423226      5.37376259    -11.90296619
  O     15.23315539      5.54383602    -14.06147252
  H     14.20311475      6.74141336    -14.79858149
  H     15.38036131      8.34767784    -10.56887430
  O     13.79029031      5.71809463    -11.70540849
  H     13.27665233      2.21920663    -11.51621407
  H     16.49982018      9.13632588    -11.28123390
  O     10.80732102      8.52716901    -10.26575934
  H     12.29520458      1.34438339    -12.32671962
  H     14.81223630      8.41635305    -16.07172241
  O     17.73814478      8.87968380    -14.83896569
  H     16.92634968      9.94364215    -13.42939964
  H     15.09666359      9.68093636    -16.89509668
  O     13.58492873      8.23850847    -10.68402861
  H     15.48910140     10.18447510    -12.92785196
  H     11.06855761      5.38205963     -9.39282646
  O     17.93732479      4.68932524    -11.22262837
  H     17.33847748      3.09332484    -11.54946294
  H     10.57602678      6.64205909    -10.14242402
  O     16.33760903      8.36837456    -10.71341594
  H     17.70385230      1.60833229    -11.77253813
  H     13.67273942      9.11807945    -12.30862872
  O     15.52647678      8.95927419    -16.44186345
  H     14.59150219      3.06937033     -9.80953343
  H     13.74346167      8.83315025    -13.83559162
  O     10.57486843      5.67823919    -10.17056741
  H     15.38825269      2.12458208    -10.72306088
  H     11.11533228      5.86707612    -13.82710253
  O     13.70322137      9.54209905    -13.17897419
  H     15.50280175      5.31614044     -9.05708903
  H     10.32809162      6.29657120    -15.08434528
  O     11.02062198      6.57327168    -14.48917479
  H     14.40421626      5.12579661    -10.13408671
  H     11.69319202      3.78688020    -12.46857344
  O     11.34037778      4.68209740    -12.54649917
  H     16.06837589      5.89335942    -13.72442477
  H     10.95870830      4.95058781    -11.69275520
          69
 Energy    -248.29687732184169     
  O     12.62865734     10.99278501    -16.05439978
  H     11.92576846     10.69810735    -15.45173316
  H     17.71097015     10.10421857    -15.90628856
  O     16.14374737     11.38803563    -11.17072518
  H     12.91149735     11.87357165    -15.78413696
  H     13.95048336     10.05279470    -15.10532052
  O     16.51782852     12.96244370    -14.87614541
  H     15.32860777     11.61705265    -11.63938996
  H     15.48388456      9.89995900    -14.93379658
  O     12.84229658      7.14004297    -16.53890516
  H     16.83585380     11.94916381    -11.54123401
  H     11.03954150     10.15424790    -13.34982996
  O     12.18995737     10.42175648     -8.97525156
  H     16.64663575     12.14782003    -15.38497811
  H     10.88989250      8.99152872    -14.33867911
  O     13.47436682      8.01273099    -12.66292347
  H     15.59210067     13.20232644    -14.97957147
  H     14.97255157      6.47564536    -10.27202102
  O     13.87870477     11.74932462    -12.71447622
  H     12.78774496      7.84715378    -17.19221699
  H     14.48285363      7.53653252    -11.28714567
  O     17.22459965      7.51161086    -14.44245478
  H     13.77985310      6.92355660    -16.45011397
  H     10.74686051      6.41918896    -14.32131157
  O     19.27297607      9.23159530    -15.40102170
  H     11.95084485     10.72961040     -8.10592007
  H     11.87925055      7.09478785    -15.13484989
  O     15.60173817      6.60929112    -16.40894026
  H     13.14752217     10.25221750     -8.94869863
  H     17.51074826     12.91259655    -13.45695960
  O     19.29027172     10.25754207    -12.91023950
  H     12.75403022      7.59713930    -13.15415189
  H     18.50271315     13.65285988    -12.52757129
  O     16.84789988     10.49871592    -16.07897793
  H     13.97295422      8.54517038    -13.30046869
  H     16.69813695      9.72766885    -11.72792038
  O     14.63784816      9.76747417    -14.48839984
  H     13.12056962     11.34048074    -12.27525796
  H     16.53758068      8.23238087    -11.40069614
  O     10.85122520      9.95387375    -14.27667089
  H     14.24228774     11.07808564    -13.31377078
  H     14.96980627      8.98650963     -9.50295148
  O     15.09739504      7.37923096    -10.54936538
  H     17.08040676      7.93741662    -13.58831429
  H     15.37868439     10.46062655     -9.70263379
  O     11.37811781      7.13267963    -14.29891346
  H     17.98671261      7.96104534    -14.82858434
  H     14.76767363      9.14911865    -18.22999179
  O     18.05264608     12.82178147    -12.65215391
  H     20.13990110      9.16906967    -15.79088359
  H     15.70414313      8.12454879    -17.56129639
  O     17.03793254      8.84869756    -11.94812694
  H     19.38562876      9.62449444    -14.51613335
  H     11.86627025     10.26568669    -10.71098900
  O     14.86249735      9.87255878     -9.13644126
  H     16.13138364      6.92683261    -15.65670015
  H     12.40149907      9.38430684    -11.87981868
  O     15.69373312      8.97137580    -18.02598719
  H     15.97113343      5.76682601    -16.66166995
  H     13.67222632     12.92357474    -14.02194257
  O     11.87845420     10.17084167    -11.67444906
  H     18.96354788     11.16059693    -12.81348016
  H     13.21176368     14.22450602    -14.72148095
  O     13.63681197     13.38494025    -14.87855742
  H     18.64411097      9.68915159    -12.46909024
  H     12.32711728      9.71014987    -18.96623751
  O     12.88429397      9.41578460    -18.25075198
  H     16.47899657     10.05208181    -16.85563087
  H     12.76307859     10.04801888    -17.52087420
          69
 Energy    -248.29670604221047     
  O     10.30499115      6.02557705    -12.95626016
  H     10.64133882      6.91512312    -13.11909132
  H     16.41860968      5.79039464    -13.50222357
  O     12.97522689      5.12144807     -8.09474225
  H     10.86675682      5.43160752    -13.46660571
  H     13.70524469      5.17176021    -11.79276986
  O     17.02635415      8.81400124    -12.89212345
  H     13.89089247      5.24986729     -8.37629771
  H     14.67812168      6.23727351    -12.37250660
  O     16.85081775      7.89519499     -9.34367609
  H     12.63750830      4.37001829     -8.59586655
  H     10.42175591      6.01643344     -9.77642103
  O     12.25962485     10.93538977    -14.35821946
  H     16.39138471      9.08793495    -12.21239642
  H     10.14115323      5.55372456    -11.23446833
  O     11.34854132      7.24455694     -8.59126883
  H     16.94452446      9.43105051    -13.63008763
  H     15.63996569     10.12102352    -15.38806559
  O     13.39290836      6.86083890    -14.99129173
  H     16.32884927      8.58767226     -9.76857573
  H     16.87478546     11.00628605    -15.68006089
  O     14.66779941     11.54263154    -12.89914681
  H     17.55838422      7.67324852     -9.96143037
  H     12.24627749      8.04479866     -9.99430619
  O     17.54978488      4.76805567    -12.58085149
  H     11.97526381     10.09070921    -13.96785548
  H     13.18756578      7.43924213    -11.06890612
  O     15.98255270      3.22895385    -10.69591341
  H     11.46760615     11.43251227    -14.54464195
  H     18.19801605      7.78963864    -12.01732795
  O     15.45598542      5.54235683     -9.33235567
  H     11.94422989      6.51821543     -8.33281857
  H     19.60261784      7.42879332    -11.48547626
  O     15.80238867      6.48965589    -13.76517791
  H     10.99345437      7.60938127     -7.78523432
  H     15.01868575     10.41007769    -11.52478818
  O     14.06324185      6.05548843    -11.64933462
  H     12.95672926      6.00481815    -14.91509068
  H     14.35167946      9.20400015    -10.82640158
  O     10.17385465      5.25590963    -10.31320877
  H     14.29323344      6.72383749    -14.65740634
  H     13.84968931      8.54560241    -15.78999363
  O     16.42080615     10.54033140    -14.98344760
  H     13.80829416     11.43346061    -13.32460481
  H     13.44457584     10.01243271    -15.52977984
  O     12.76933233      8.26480497    -10.77408083
  H     15.31688167     11.37635933    -13.59279763
  H     11.11198193      3.87780765    -10.00769282
  O     18.68460110      7.17046373    -11.44646016
  H     17.11168260      4.19705276    -11.93971743
  H     11.22185571      2.43686868     -9.44955686
  O     15.20486764      9.63151619    -10.97817382
  H     18.00077065      5.46118064    -12.08113653
  H     12.36784866      7.91786073    -13.86564350
  O     14.12416107      9.45901882    -15.93639018
  H     16.35532007      2.52829587    -10.16614034
  H     12.07770516      8.46024527    -12.42369639
  O     11.73522830      3.14957421     -9.81996281
  H     15.86831472      3.99456599    -10.10632578
  H     12.66067289      3.90472609    -13.57630137
  O     11.76303367      8.46149955    -13.33985847
  H     14.95047438      5.76360633    -10.12974476
  H     11.96170620      3.61923562    -14.92047670
  O     12.21592917      4.32467469    -14.32926395
  H     15.99592775      6.32457663     -9.15315864
  H     14.32081143      3.18834230    -11.67095529
  O     13.43033192      3.36720101    -11.99897682
  H     16.22617232      7.33157983    -13.55195628
  H     12.82093604      3.20940107    -11.26231541
          69
 Energy    -248.29655785534743     
  O     15.77796983     10.83897164    -16.61747193
  H     14.93835847     11.04787182    -16.19087773
  H     19.32613991     10.60631919    -16.56464372
  O     15.47808208      5.48224977    -13.49609873
  H     15.59416123     10.34749921    -17.42880718
  H     16.51785793      9.53114382    -15.51054105
  O     17.76151512     13.05909011    -10.75224878
  H     16.25294506      5.24994455    -12.96803442
  H     17.70162137      8.77430166    -14.79333959
  O     19.49827095      8.42271597    -14.52615087
  H     15.79031656      5.53819528    -14.40591375
  H     12.61736779     11.69466631    -15.32868326
  O     14.29031705      7.23343462    -17.13279563
  H     16.92607629     12.71919537    -10.40712802
  H     13.20154368     10.27093919    -15.12921823
  O     17.21203687      9.77422052     -9.09592553
  H     18.45163647     12.52803332    -10.33559348
  H     16.54364931      8.04624738    -11.77858503
  O     15.06511481      8.10903497    -12.93547954
  H     19.80398084      8.92874125    -15.29028394
  H     17.99724919      8.59582669    -11.65147572
  O     17.46395434     11.87632969    -13.21200989
  H     19.58796095      8.96646939    -13.73160647
  H     13.41555348      8.06060620    -15.79470115
  O     18.96437731      5.67052956    -14.57817698
  H     14.61186135      7.85636009    -17.79571941
  H     13.53012284      8.24725654    -14.26634932
  O     16.76063142      6.28094954    -16.06777407
  H     15.05374339      6.69578337    -16.88993255
  H     18.74618059     10.58372800     -9.36239336
  O     17.88006392      5.31438205    -11.93906639
  H     16.49804197     10.37185888     -9.35195068
  H     20.16418710     11.06332053     -8.96375574
  O     19.84579423      9.84606912    -16.88498502
  H     17.18140754      9.03486888     -9.71674351
  H     19.47181194     10.27804334    -11.39736566
  O     16.74357792      8.81214469    -14.90821493
  H     15.04471234      7.14246769    -13.00670472
  H     18.57843088     10.59025379    -12.62287209
  O     13.41652745     11.22314617    -15.11079418
  H     15.64571866      8.41123828    -13.65739369
  H     15.07272662     11.43658558    -10.99012238
  O     17.36713337      7.96122114    -11.28126761
  H     16.56607158     11.53230796    -13.13702537
  H     14.52079364     12.00640354     -9.66557223
  O     13.07013643      8.57093380    -15.04604654
  H     17.60886525     12.44603333    -12.44140554
  H     17.71111521      7.34510647    -17.49916525
  O     19.53848815     11.05197425     -9.68266770
  H     19.28153880      6.58465625    -14.54402637
  H     18.60338710      8.60223965    -17.69947285
  O     19.15325699      9.91489927    -12.23240738
  H     18.71081215      5.44879052    -13.67459010
  H     14.81816542      9.90960991    -12.65946029
  O     15.31480596     11.67893165    -10.08174892
  H     17.55190321      5.91142527    -15.64536689
  H     14.30141598     11.13079719    -13.45864541
  O     17.90799332      8.06958347    -18.10349968
  H     16.65595335      7.17061133    -15.69553308
  H     18.10772749     11.94272778    -14.96896407
  O     14.82241145     10.87672290    -12.68643672
  H     17.77498486      6.22550336    -11.62054346
  H     17.39752534     11.62417407    -16.28954287
  O     18.27031104     11.79962324    -15.91018366
  H     18.12018761      4.78480357    -11.18270551
  H     15.46384803      9.24102408    -19.79036596
  O     15.55044948      9.16691426    -18.84398930
  H     20.58762155     10.20024573    -17.36779076
  H     16.42776108      8.77928289    -18.66904456
          69
 Energy    -248.29622838765874     
  O     -0.48381585      2.13421907     16.92325720
  H      0.45417853      2.25811467     16.72759269
  H     -1.02156207      4.49659117      9.58041524
  O      4.85625918      4.98094366     10.47255713
  H     -0.92147195      2.95620989     16.67028045
  H      5.67911996      2.39120875     15.80318251
  O      3.99779415      0.03563169     13.63991296
  H      5.02297037      4.61572271     11.35018384
  H      4.88984349      2.78546205     14.53231901
  O     -0.45287483      1.39832002      9.18504336
  H      4.73206769      4.21704647      9.89610016
  H      1.35935007      3.77938973      9.00420360
  O     -2.60282485      3.73513841     13.53924744
  H      3.08772036     -0.10861783     13.93508387
  H      2.53560982      2.85518669      8.59726033
  O      0.40908096      1.36933394     11.81353519
  H      4.39791115      0.62633961     14.28960987
  H     -0.98172499      0.65063133     16.16523181
  O     -2.15205573      1.04525308     13.26166677
  H     -0.69922471      0.77770311      8.50496647
  H     -1.51299430     -0.80322215     16.23602200
  O      4.62512724      3.68502483     13.03715278
  H      0.29886530      1.91745553      8.84123647
  H     -2.19700653      5.17615433     16.36282814
  O      4.30158348      2.50684081      9.18000077
  H     -2.57242057      2.76923525     13.46395605
  H     -2.02789165      4.30390994     15.09638919
  O      3.17681131      5.93005772     13.52193648
  H     -3.12344100      4.07891653     12.79873113
  H      1.38204445      5.75428157     10.28446219
  O      1.24611767      0.19875880     14.22112760
  H      0.28543419      2.29440664     12.08116986
  H      0.47522299      4.72181808     10.99521337
  O     -1.81933052      3.95699614      9.50480821
  H      0.09448212      1.28210861     10.90332721
  H      3.05792480      2.36877226     15.76230088
  O      4.87575359      2.21497530     15.32106484
  H     -1.90787216      0.57554703     14.06971961
  H      1.80730177      1.65791881     15.19717830
  O      1.58700193      2.98755354      8.49552484
  H     -1.38379300      0.99573234     12.68404031
  H      1.46707655      4.02316357     15.28327914
  O     -1.15629726     -0.15107723     15.63950542
  H      4.06347044      3.08837679     12.52478552
  H      0.17983260      4.89127637     15.38038758
  O     -1.59986488      4.57286916     15.92815808
  H      4.11077618      4.48171271     13.24959267
  H     -4.56843743      4.92825692     10.78857093
  O      0.71018030      5.08034189     10.12667033
  H      3.97646897      2.13496183     10.01874162
  H     -3.13919336      4.39313678     10.59266928
  O      2.09373208      2.39463522     15.75552120
  H      4.92673993      1.88026617      8.82438818
  H      3.10311495      7.64557064     10.48389632
  O      1.05217369      4.84151645     14.97123840
  H      2.89377845      6.33208844     12.69297844
  H      3.58188817      6.18145730     10.61916214
  O     -3.80365406      4.61951070     11.26582835
  H      2.38891679      5.74221895     14.04858649
  H      3.60058692      1.01884940     12.20535174
  O      2.83326222      6.78214182     10.78584372
  H      0.94440451      0.51946442     13.36014405
  H      2.30453255      1.58246550     11.55579066
  O      3.26382348      1.66444725     11.56480777
  H      0.46105259     -0.07925511     14.70886265
  H      0.47605112      4.28587150     13.34638448
  O      0.00650702      3.96179203     12.56758255
  H     -1.50900434      3.05540441      9.36902119
  H     -0.93238644      3.95217490     12.79801121
          69
 Energy    -248.29608995455050     
  O     -3.99277325      2.45671823     16.07140898
  H     -3.38512801      3.18899554     15.89053730
  H     -2.73048990      1.36638568     16.63161600
  O      2.79097109      3.17479746     20.18082487
  H     -4.57336046      2.75893702     16.77953074
  H     -1.13530338      3.92648748     15.83911215
  O     -1.37477170      6.97084754     14.95752600
  H      3.57583118      3.28848844     20.71046988
  H     -1.87225937      5.24529629     15.51199232
  O     -1.78473445      4.07051466     20.57038817
  H      2.13251752      3.80879424     20.51542264
  H     -4.62760796      4.18824855     18.43162572
  O      1.18238244      0.91364620     19.73581537
  H     -1.39926675      7.22892128     15.89664678
  H     -6.16304117      4.01143310     18.40443697
  O      0.04425882      0.39273337     15.23615356
  H     -1.85802465      7.63530493     14.47427892
  H      0.11803382      2.18208640     18.92772252
  O     -4.57063286      1.28144279     19.94937295
  H     -2.18964491      3.43610896     21.17394832
  H     -1.04702282      2.25058328     17.92798451
  O      2.72836518      3.12550589     17.30477288
  H     -1.34618011      3.55372823     19.87538177
  H     -1.70641481     -0.25449823     20.33654803
  O      2.87003116      5.80464622     16.51740026
  H      1.52143144      0.55695361     18.90017981
  H     -0.31726744      0.35679567     20.64154834
  O      0.57513246      5.51466266     18.19450273
  H      1.81613125      1.57495074     20.04014723
  H     -0.69084414      6.80401029     17.88027605
  O      1.13558733      5.70579002     14.45818908
  H     -0.23455563     -0.21806393     14.55945104
  H     -2.21191507      6.87385329     18.01315111
  O     -1.96309850      0.89373186     16.98867653
  H     -0.70506480      0.49901910     15.84913859
  H     -2.20873434      1.32973626     21.79364422
  O     -1.97737212      4.38860336     15.94336013
  H     -4.11044428      1.61512659     20.72981108
  H     -2.96061590      1.85077383     23.04386277
  O     -5.34042153      3.52906485     18.38028024
  H     -4.86863703      2.04817017     19.44559897
  H     -2.66858706      4.87250260     17.65675104
  O     -0.49048208      2.79673358     18.49660832
  H      2.98886346      3.99948991     16.98699242
  H     -2.69422307      4.89239260     19.22422964
  O     -1.18349390      0.16994192     21.02750256
  H      2.75958605      3.16804836     18.26944644
  H      1.18535579      3.11524864     16.15103126
  O     -1.45804775      7.34479674     17.63935652
  H      2.31888202      5.84930067     15.71498417
  H      0.37468465      2.22578364     15.19014934
  O     -2.84949237      1.99467168     22.10833219
  H      3.48974306      6.52681445     16.46986700
  H      0.86449585      5.38802677     20.02856674
  O     -3.16194251      5.18664988     18.42843359
  H      1.36858451      5.59841492     17.65273426
  H     -0.02770538      4.71477167     21.06218177
  O      0.52801582      3.14420996     15.44359085
  H      0.27833029      4.59559933     18.15564911
  H     -3.64091552     -0.02816942     19.32285059
  O      0.88808439      4.97505795     20.90383304
  H      0.31383452      6.20467362     14.54425166
  H     -3.48420651     -1.53382251     18.99246098
  O     -3.01272227     -0.70552616     19.00940576
  H      0.90477775      4.77716333     14.60358667
  H      2.49390951      1.23843531     17.12074892
  O      2.12941097      0.34850536     17.22029096
  H     -2.28282103      0.27728793     17.65870268
  H      1.48649602      0.24542583     16.50891081
          69
 Energy    -248.29595133396606     
  O     16.32675597     12.51509664    -13.14657832
  H     16.47151111     11.62772212    -12.79116490
  H     11.13638234      8.54773108    -15.03090748
  O     13.23299486      7.35919857    -13.23896840
  H     15.49511006     12.81673429    -12.76130937
  H     16.47406095      9.75281789    -17.42151004
  O     17.22263859      7.25383044    -12.44694927
  H     12.80433341      7.80452948    -12.49995029
  H     17.12559440     10.76680307    -16.46261141
  O     16.97292874      7.65100876    -15.29686710
  H     13.70910907      8.04616892    -13.73286973
  H     14.43907932      9.93854189    -15.14766821
  O     14.05666572     11.34623790    -16.28716605
  H     16.53906324      6.61873718    -12.70703055
  H     15.41752690      8.72999644    -14.97878554
  O     14.86766163      8.62843762     -8.85612737
  H     17.30479568      7.16273201    -11.48871230
  H     13.22739079     12.71712698    -12.80715367
  O     12.00005317      8.88833184    -11.24957574
  H     17.32880850      7.66970277    -14.40152566
  H     13.35941503     13.90470041    -11.82269077
  O     16.18019944      9.84666111    -12.33759055
  H     17.27085108      8.42900391    -15.79333071
  H     15.54784302      5.80363954    -10.08731070
  O     13.64801532      7.35413101    -17.22628883
  H     14.17225911     10.79950455    -17.07527023
  H     14.86941179      5.20711532    -11.33344852
  O     12.67304461      6.85156075     -9.43490138
  H     14.87934422     11.84312910    -16.17416055
  H     11.05224394      9.50090395    -12.69711519
  O     15.49906751      5.47369330    -16.00665491
  H     14.08899628      8.06052419     -8.90347112
  H      9.72185324      9.95723101    -13.32396374
  O     11.55419013      7.77650077    -15.42594471
  H     14.63259742      9.43015836     -9.34069201
  H     14.41456386      6.09415450    -13.14995326
  O     17.22141587      9.87658435    -16.82147925
  H     12.69381989      9.53683966    -11.05667317
  H     15.26454774      5.22991972    -14.09704213
  O     14.71752550      9.23732787    -14.54847462
  H     12.07794929      8.19352126    -10.58281680
  H     17.56754883      6.95889703     -8.92240285
  O     13.74117552     13.06247446    -12.05379578
  H     15.61077338      9.74463931    -13.11673695
  H     16.26913322      7.68184323     -9.34557726
  O     14.74284210      5.36523801    -10.38876461
  H     16.64235109      9.00507251    -12.25541645
  H     14.37016485      8.72851877    -17.94370748
  O     10.65246408      9.85033694    -13.50966533
  H     14.14439648      6.63125091    -16.82903154
  H     14.63858621      9.51916365    -19.24514714
  O     15.15444908      5.46365141    -13.16957045
  H     12.86470104      7.49940367    -16.67595366
  H     13.93241256     11.51319951    -11.01539086
  O     16.95387499      7.05795702     -9.64562367
  H     13.35583702      6.26816351     -9.81222037
  H     14.86884435     10.30371402    -11.21917997
  O     14.78212507      9.53610328    -18.30302369
  H     12.17254781      6.32119490     -8.82036882
  H     17.01582497     13.28904864    -16.11851851
  O     14.10780986     10.61682643    -10.70593018
  H     15.98509681      4.88032867    -16.57448274
  H     16.53542059     12.53269808    -14.85823816
  O     16.57960093     12.49182351    -15.83035749
  H     16.08851890      6.22653967    -15.82100103
  H     11.76449791     11.29246454    -13.98565204
  O     12.37774377     12.02275518    -14.13175110
  H     12.04901055      7.39091766    -14.68930122
  H     12.85178910     11.83329372    -14.95162012
          69
 Energy    -248.29588483682335     
  O     10.88423370     11.01891676    -11.61965819
  H     11.67501876     11.04064867    -12.18137334
  H     18.99323295      5.65897139    -15.94171438
  O     14.18933539      6.86686334    -14.90524929
  H     10.33939489     11.74732154    -11.90791639
  H     15.80879858     11.53519486    -14.91237838
  O     17.82102075      8.86628998    -16.76297731
  H     14.84358872      7.44780799    -14.49024605
  H     15.13967318     12.88322633    -15.26546349
  O     12.21544558      8.75240721    -14.81492281
  H     14.60804647      6.45992435    -15.67487898
  H     15.53208407      8.81376673    -12.75103157
  O     15.49151906      6.41434805     -9.54376618
  H     17.06505844      8.77812803    -17.35780152
  H     16.41669439      9.19008060    -13.97714922
  O     13.25372420      5.69775483    -12.60590325
  H     18.02776342      7.97590116    -16.45458190
  H      9.72181735      8.51449129    -10.01883093
  O     14.68606477      9.54148947    -11.31395667
  H     12.91117982      8.09083801    -14.95273198
  H     10.58022887      9.42154091    -10.93284463
  O     15.45640598      8.54875827    -18.29663326
  H     11.52874719      8.28800902    -14.31793600
  H     18.27111818      8.37134152    -10.91152512
  O     15.72387823      4.63562113    -11.57686375
  H     16.06197704      7.19076909     -9.50368904
  H     18.58348740      7.39281044    -12.06266436
  O     17.26233297     10.59438440    -14.75601410
  H     14.59488099      6.75314513     -9.67545854
  H     10.53318978      7.53334722    -12.28075027
  O     15.62328726      5.98605698    -17.06107755
  H     14.00258922      5.18301118    -12.28345471
  H     11.41531115      6.46550758    -12.95489335
  O     18.20636881      6.18138405    -15.80583401
  H     13.53649856      6.05068765    -13.46361490
  H     20.28811539     10.65642494    -13.00186824
  O     14.95027391     11.98269307    -15.01506912
  H     14.09839156      8.84097418    -10.99267085
  H     19.25320181      9.63875283    -12.49659245
  O     15.95702138      8.46098361    -13.54222166
  H     14.16142353     10.09944511    -11.90247469
  H     16.95530485      7.03405468    -13.25054732
  O     10.46936461      8.51054446    -10.61090050
  H     14.82268271      9.07560032    -17.77912780
  H     16.93816345      5.60120015    -12.65795403
  O     18.93276690      8.15114844    -11.57952488
  H     15.27741539      8.73426198    -19.21475033
  H     16.13521775      9.26216713    -10.29155899
  O     10.73141974      7.12275768    -13.13062147
  H     15.69706457      5.22665120    -10.80267036
  H     17.02988561      9.55975553     -9.06872317
  O     19.35445131     10.46264154    -13.00188291
  H     15.87172437      3.75416025    -11.24357557
  H     14.14318179     10.76560037    -16.27431376
  O     17.48928068      6.23093254    -13.13712177
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  H     13.07625441      9.65407063    -16.24925645
  O     16.86934140      8.91764201     -9.75639903
  H     17.52377217     10.05427243    -15.51888377
  H     12.16537230      7.79455031    -10.40230477
  O     13.75203563     10.06235250    -16.80523077
  H     15.56124686      6.79857026    -17.58105092
  H     13.08753753      6.86336658    -11.24306128
  O     13.06983050      7.47141180    -10.48791863
  H     16.52319256      5.95604673    -16.71329443
  H     13.72504314     11.32746145    -13.78487605
  O     13.12544428     10.81849645    -13.22619979
  H     18.00385437      6.13366949    -14.85744834
  H     12.79472446     10.08269735    -13.76554391
          69
 Energy    -248.29567903134057     
  O     -0.74858439      0.10404495      0.94650391
  H     -0.71631745     -0.85791490      0.95187013
  H     -3.23837323     -1.57087208      3.22432241
  O     -1.06377362      5.20065266     -0.87404761
  H     -0.39132030      0.41107626      1.79295734
  H     -4.36523996      5.07549499      3.83947300
  O     -2.18409300      4.34229106      1.53164784
  H     -1.13434930      5.93413854     -1.47823296
  H     -3.24838817      4.45385046      2.97101155
  O      2.48260237     -0.89945385      0.04917032
  H     -1.52675648      4.44751204     -1.28515967
  H     -0.96668597      0.84968788      4.34468703
  O     -3.24953282     -2.13508777     -0.01520294
  H     -2.40557418      3.45007068      1.22441662
  H     -1.91636034     -0.17330181      5.00177526
  O     -1.38917436     -1.52611804     -2.18183922
  H     -1.86022778      4.82274133      0.76046367
  H     -2.17408461      1.15640257      0.71389221
  O     -2.35881397      3.00408112     -1.79000456
  H      2.14868760     -0.06685941     -0.31225717
  H     -3.38703717      1.66120183      1.52148747
  O      1.01325909      1.34115396     -0.77241734
  H      2.04232296     -1.59389135     -0.45418219
  H     -3.17515253      1.25502066      3.84342124
  O      0.87275939     -2.79287596     -1.39437173
  H     -4.00971423     -2.64514673     -0.28413486
  H     -4.10121745      2.43209208      3.49659112
  O     -0.68905353     -2.76831986      0.92977735
  H     -3.47272369     -1.75465067      0.85299794
  H     -1.54320821      2.62372551      5.37684485
  O     -2.08565427     -2.01010293      4.69193170
  H     -1.26715034     -0.60677760     -2.44902242
  H     -2.25106976      3.91127270      4.93996275
  O     -3.77781639     -1.23444463      2.49795221
  H     -2.08577228     -1.54798792     -1.51575939
  H      1.03864433      3.92937627      1.27585227
  O     -3.78717780      4.32005288      3.76927309
  H     -1.83484791      2.35387396     -2.27359588
  H      0.50445396      4.39136805     -0.09784557
  O     -1.76787967      0.77258285      4.88565997
  H     -2.70389753      2.54538591     -1.01196406
  H     -0.01989261     -2.67532879      2.59618301
  O     -2.90045965      1.79653107      0.69799933
  H      0.38711337      0.89784572     -0.17892440
  H      1.07734634     -1.89921361      3.35020647
  O     -3.92209922      1.51011188      3.27994609
  H      1.16415982      2.22863342     -0.41617665
  H      1.25115586      0.62895375      3.14438291
  O     -1.41807450      3.57823367      5.29440816
  H      0.09194179     -2.34175916     -1.76412427
  H      0.50335751      2.02973087      3.11391859
  O      1.18199896      3.84909816      0.32536129
  H      1.11397988     -3.47872626     -2.01108988
  H     -0.61078615      4.00971607      2.45603535
  O      0.29462665     -2.44354041      3.48308807
  H     -0.11050598     -2.91233204      0.16995386
  H     -0.19777793      3.83405862      3.91487288
  O      0.39988006      1.07520508      3.22919449
  H     -1.59678801     -2.73563855      0.60029665
  H     -0.13872606      1.20654724     -3.76714366
  O      0.15677665      3.81986963      3.01354715
  H     -2.24720666     -2.70390057      5.32556897
  H      0.04914908      1.21246382     -2.23059376
  O     -0.60569678      1.09902914     -2.94219261
  H     -1.20449611     -2.17774681      4.31173853
  H      3.40931340     -0.76660979      3.06730895
  O      2.50844012     -0.68830109      2.76474943
  H     -4.02280791     -0.33561989      2.74740327
  H      2.53039189     -0.79117851      1.79693655
          69
 Energy    -248.29562604932227     
  O     13.20213490      9.85894169    -16.19455842
  H     13.84322835      9.19751842    -16.48840410
  H     19.96981860      7.36151566    -14.68198922
  O     17.51048826      7.10144315    -12.78673314
  H     13.69021441     10.68816075    -16.13007271
  H     17.78212855     11.01813778    -16.69401005
  O     17.97871007     11.07069627    -11.95606258
  H     18.45912555      7.06993522    -12.98352100
  H     17.03052088     10.43709408    -17.88531667
  O     18.95362054     10.12034204    -15.61022457
  H     17.15674942      7.81081684    -13.34646973
  H     16.16692605      9.76385415    -14.07386635
  O     14.63683952      5.35351588    -16.06583761
  H     17.72830653     10.87259835    -11.04548418
  H     17.40956446      9.38525915    -14.91184028
  O     14.50878287      9.60458450     -9.52462812
  H     17.15362905     11.25404700    -12.42319945
  H     12.23837916      9.21097941    -14.92482576
  O     14.82679914      6.83150734    -12.00431527
  H     19.48680553     10.23671360    -14.81467646
  H     10.84348653      8.99074066    -14.28838439
  O     15.50489055     11.25604515    -13.28763825
  H     19.12853915      9.23247700    -15.95732942
  H     17.56376550      8.52794939     -9.76646225
  O     19.01254634      7.52167733    -16.54397976
  H     14.25132095      4.58867831    -16.48379108
  H     17.66188077      7.46300213    -10.88742340
  O     15.05984328      6.80200633     -9.21650545
  H     14.03045585      5.61957838    -15.35070072
  H     12.54315798      7.05591151    -14.13802598
  O     17.38887131      5.63115526    -15.32096072
  H     14.54055586      8.66345058     -9.31086692
  H     13.63593961      6.35319792    -13.30367162
  O     20.05553599      7.39730946    -13.72336517
  H     14.10574029      9.66548006    -10.40029404
  H     19.43266973     10.50608388    -12.67909067
  O     17.03549110     11.19096550    -17.28575870
  H     14.79206202      6.70180797    -11.04792931
  H     20.96583496     10.68973603    -12.79170968
  O     16.60038142      9.02736237    -14.52240786
  H     15.75935263      6.80816959    -12.25527594
  H     16.16840163     10.16255956     -9.41787729
  O     11.77184271      8.81177835    -14.16778595
  H     14.78209794     10.73574010    -12.90776780
  H     17.28467579     10.80154137     -8.56031470
  O     17.55235989      7.57721204     -9.93583388
  H     15.20731639     11.64404197    -14.12041860
  H     16.44218943      8.33358246    -17.96264406
  O     13.06581638      6.24809786    -14.07850146
  H     18.46040220      6.81812912    -16.16776851
  H     16.96564291      8.28808361    -19.41704700
  O     20.23286581     10.18651382    -13.13531132
  H     18.55333089      7.81091060    -17.34168668
  H     14.15361347      8.55394755    -12.18551282
  O     17.12471739     10.34083879     -9.37977019
  H     15.03978307      6.15118659     -8.52077668
  H     12.95120853      9.28684209    -12.81708170
  O     17.18919439      8.57827387    -18.53625912
  H     15.99771366      7.00987994     -9.38576165
  H     15.65531550     11.81139163    -16.41987099
  O     13.71149331      9.41335506    -12.23594168
  H     16.47383643      5.43891253    -15.55774654
  H     14.71561269     13.01827681    -16.20199310
  O     14.89057381     12.12855300    -15.90636451
  H     17.37262759      5.91182674    -14.39979805
  H     15.70014763      8.30421279    -15.91847692
  O     15.23352531      8.00172933    -16.71321702
  H     20.22289401      8.32236091    -13.49693103
  H     14.99583310      7.07690526    -16.57300890
          69
 Energy    -248.29546955541548     
  O     20.92806444     12.29661127    -19.00597129
  H     21.39450809     13.00010261    -18.51811014
  H     19.54491570     17.10695592    -17.45226290
  O     15.99017290     17.81896769    -14.16523843
  H     21.54507087     11.94647248    -19.64256207
  H     15.47974609     12.01544360    -13.62130840
  O     22.25214268     14.85998176    -14.73561285
  H     15.53653240     18.65106664    -14.06088251
  H     16.21546626     10.78710344    -14.19763297
  O     14.16405621     13.33173445    -13.96613058
  H     16.21547527     17.74297053    -15.11059257
  H     20.46474497     17.57018737    -15.54437561
  O     17.06160481     11.72105619    -17.29113598
  H     21.75620292     15.69879471    -14.73913569
  H     20.04432886     17.13172218    -14.12829890
  O     16.46891165      9.51441549    -15.64422058
  H     23.03694345     15.01046700    -14.21548152
  H     17.64360592     12.18296287    -12.67068749
  O     21.93017509     14.31225765    -17.51953116
  H     13.22242555     13.29376364    -13.82518191
  H     19.09469286     12.68389944    -12.92151338
  O     19.37542161     15.36928275    -17.55770597
  H     14.49121244     14.11194595    -13.48133455
  H     19.45249173      9.99392549    -15.46673733
  O     15.20912315     15.48033441    -12.73919327
  H     16.57630141     12.45075573    -16.87744297
  H     19.31805539      9.69604277    -13.96462415
  O     20.20226377     12.96333099    -14.37540880
  H     16.75570349     10.91205400    -16.86381352
  H     15.87786159     14.93387733    -17.66657322
  O     18.25345131     13.42485299    -19.20318164
  H     17.37897925      9.34988517    -15.34101081
  H     16.69980874     14.94451735    -18.95937736
  O     19.58659667     18.04676650    -17.19985840
  H     16.04282055      8.66380588    -15.70853234
  H     17.64003751     17.32013773    -13.48782635
  O     16.23399413     11.42981979    -13.48111800
  H     22.23199819     14.43124736    -16.61288859
  H     18.24781070     16.29700517    -12.48251697
  O     20.79148790     17.14667218    -14.74242949
  H     21.07385163     14.76527459    -17.55537554
  H     16.54369733     16.97587039    -17.37589407
  O     18.39029998     12.64753766    -12.26250647
  H     18.96333100     15.20824220    -16.69650030
  H     17.68177144     17.91622641    -16.90442386
  O     19.07498266      9.36780977    -14.82934331
  H     18.93314212     14.78598342    -18.18678328
  H     17.70102181     15.01361447    -10.33788990
  O     16.13511736     15.49630806    -18.41262945
  H     15.98395683     15.31765430    -12.18730536
  H     17.91191509     14.16401136    -11.61298379
  O     18.45352796     16.85967010    -13.24134829
  H     15.39786857     16.27696659    -13.25045493
  H     18.80725631     11.55045124    -16.82724184
  O     16.76965912     17.66004372    -16.73031165
  H     20.14787946     12.42561135    -15.17757031
  H     20.23431957     11.58422940    -17.42273034
  O     17.62792382     15.03793013    -11.28792397
  H     20.96145922     13.55373630    -14.46327171
  H     18.26750853     15.51322962    -14.50421411
  O     19.73985692     11.39132506    -16.61824219
  H     19.12227336     13.02611616    -19.33875512
  H     18.83881567     14.10102574    -14.80319085
  O     18.21370607     14.76857656    -15.11463252
  H     17.75702964     12.78494827    -18.67355613
  H     15.16651683     13.70877532    -15.46999457
  O     15.82260800     13.88875586    -16.15229223
  H     19.97276322     18.51177709    -17.93796513
  H     16.61496787     14.23220787    -15.71066132
          69
 Energy    -248.29543139185748     
  O     15.46340905     11.56555458    -10.88672863
  H     16.11535018     11.07551312    -10.37063613
  H     19.18466536      9.75003531    -12.32253791
  O     14.11986209      7.26583940    -14.84054118
  H     15.81344595     11.61669866    -11.78553219
  H     15.21611780      8.13612597    -13.68403110
  O     19.43835833      6.57933225    -12.00145535
  H     13.26009823      7.44165365    -14.43730688
  H     16.74151658      8.32978036    -13.66873967
  O     14.41703654     11.41272940    -15.55824725
  H     14.33012218      6.33629485    -14.68689061
  H     12.35518133     11.50235955    -10.44205986
  O     12.48167969      5.27135584    -11.11188632
  H     19.54053996      6.21618242    -12.88152231
  H     13.78792172     11.13426468    -10.89268767
  O     11.81468573      7.84798937    -13.41883152
  H     18.65705665      6.13535531    -11.63886744
  H     13.21211766      4.16525690    -15.02187853
  O     15.71783513      7.88324886    -10.55064941
  H     14.01573004     12.06282931    -16.12838746
  H     12.26209969      3.95939074    -16.21058769
  O     17.93893088      8.15201079    -15.07460396
  H     13.71664780     11.09945804    -14.95715010
  H     12.17311961      9.65437134    -13.80985018
  O     10.71184374      5.25603600    -13.37049365
  H     12.57611067      6.20609597    -10.88843028
  H     12.64643229     10.75615782    -12.85225165
  O     15.68406741      8.95506523    -16.45866673
  H     11.82071505      5.22384520    -11.81316070
  H     16.51650903      6.31894928    -11.01312462
  O     17.40669157      5.50554251    -14.26788626
  H     11.29738887      7.03471872    -13.44822767
  H     16.24629803      4.85585875    -11.41708753
  O     19.11664691      9.29543177    -11.47668368
  H     12.21635025      7.89175387    -12.53780662
  H     14.76282907      4.26888126    -13.45461168
  O     15.93790987      8.51587807    -13.16544902
  H     16.23256426      8.52090114    -10.04274791
  H     15.76126744      4.81045076    -14.50584453
  O     12.85169994     10.87331594    -10.95885372
  H     15.81260940      8.14229855    -11.48376089
  H     13.90509873      4.32794792    -11.39964055
  O     12.27742107      4.06004115    -15.26180186
  H     18.46293327      8.92693326    -14.84307371
  H     14.58253452      2.93971731    -11.29937961
  O     12.55936112     10.53890012    -13.78827887
  H     17.23272571      8.45067163    -15.67163460
  H     19.50184852     11.32138986    -14.35734657
  O     16.92867357      5.53648207    -11.40610777
  H      9.83130004      4.89090715    -13.39843708
  H     18.07836021     10.94305390    -13.88463680
  O     14.83123712      4.57643000    -14.36810583
  H     11.22744742      4.80215913    -14.05932338
  H     13.91826278      7.93027601    -10.68847919
  O     14.69233507      3.81635671    -11.65823747
  H     15.29980826      9.81774696    -16.26558842
  H     12.82335009      9.00507656    -10.80353535
  O     18.97517115     10.59674206    -14.03003420
  H     15.07741696      8.31478797    -16.06005823
  H     18.02853963      9.72372920    -10.22568997
  O     12.97607202      8.05431267    -10.87524824
  H     17.65856631      6.36714591    -14.62621081
  H     17.83275688     10.06982874     -8.73011002
  O     17.35982528      9.92698322     -9.54505449
  H     17.28718029      5.62039720    -13.31526232
  H     16.13773183     10.29290434    -13.34502333
  O     16.33633331     11.22193056    -13.54511340
  H     19.29959101      8.36016362    -11.64630796
  H     15.73971698     11.46313341    -14.26467615
          69
 Energy    -248.29534376705379     
  O     17.87265163      9.89902905    -10.90554271
  H     17.19597499      9.41468114    -10.40337164
  H     18.77125183      4.77364285    -11.70445761
  O     13.41292369      5.82014988     -8.62648291
  H     18.26645132     10.51073834    -10.27292925
  H     15.44137959      6.09303090    -11.23926371
  O     12.00693883      7.87092222    -10.03189670
  H     13.15392765      4.91767191     -8.45614548
  H     15.75927191      6.93149890     -9.97805725
  O     16.39600864      9.17018430    -13.14431534
  H     14.18509847      5.78308858     -9.21418670
  H     19.70022633      7.30520126    -13.94848384
  O     19.65764143      7.78081638    -10.88492858
  H     12.35969861      7.10284914     -9.56899307
  H     21.23460024      7.09392793    -13.97689907
  O     20.02967699      8.64126624     -8.25141776
  H     12.14489006      7.71500977    -10.97885676
  H     17.34955870     11.10988300     -7.50444147
  O     18.33461355      5.51947993     -9.94942713
  H     15.56435245      9.65057166    -13.04104320
  H     16.78507014      9.93449451     -6.69702584
  O     12.73428148      7.75678377    -12.70986931
  H     16.98014988      9.49875604    -12.44676236
  H     17.58712462      8.29827040    -14.32518764
  O     13.91991413     10.58336640     -7.07693635
  H     19.06202985      8.53506578    -10.99851827
  H     17.75444592      6.85169628    -14.84622870
  O     13.94923576     10.39869179    -12.47918351
  H     20.03952121      7.57595007    -11.74670772
  H     16.26502225      8.50588230     -8.51152575
  O     13.64899564      9.99675458     -9.77121396
  H     19.66574299      7.90054638     -7.75609074
  H     15.18657715      9.06605098     -9.51551104
  O     18.94722876      4.67117493    -12.64701178
  H     20.08952713      8.32643422     -9.16467881
  H     19.63418760     11.78977448     -8.44238478
  O     15.60953244      6.02389634    -10.28920980
  H     17.37913807      5.60801276    -10.07587093
  H     19.35755367     10.27108159     -8.39512339
  O     20.46184240      6.98938523    -13.42903272
  H     18.75520468      6.32505730    -10.28884519
  H     13.84380315      8.57167168     -6.74664840
  O     16.62431686     10.86418167     -6.92073674
  H     13.52241354      7.22196264    -12.87164783
  H     13.77149436      7.09433970     -7.22985355
  O     18.21054046      7.69765688    -14.75397383
  H     13.03150799      8.67115065    -12.78303969
  H     15.70724160      7.45629032    -13.00676539
  O     16.01295695      8.56991887     -9.44215617
  H     13.48874471     11.13515923     -6.42960140
  H     15.78667835      6.00383759    -13.55337218
  O     18.96082708     11.13487942     -8.60855296
  H     14.87361970     10.76914586     -7.01010567
  H     19.17141082      5.48675270     -6.80049257
  O     14.11172370      7.67031852     -6.53417783
  H     13.52183908     11.20901278    -12.74592949
  H     18.61755252      5.85177622     -8.19448761
  O     15.29235145      6.58290213    -12.96077757
  H     13.86156425     10.34447763    -11.51241262
  H     15.88678028      7.81152858     -6.55780150
  O     18.74706433      6.18571425     -7.29185692
  H     13.64335327     10.34047939     -8.86954211
  H     17.37784192      7.37367565     -6.83845865
  O     16.77779807      8.12457580     -6.78011793
  H     12.99627060      9.27735131     -9.81939832
  H     17.69514861      4.84775861    -13.86060972
  O     17.03682202      5.08410799    -14.53841425
  H     19.58923361      5.35484777    -12.87766752
  H     16.97026386      4.34176915    -15.13247561
          69
 Ord_Energy   -248.295334    
 O    4.97037315       1.25131285       8.24781704    
 H    4.95322847       1.87522566       8.98232841    
 H    5.43818903       1.70848250       7.53837061    
 O    4.91451502      -1.69838953       11.0147629    
 H    5.25093222      -1.74309993       10.1098890    
 H    5.48910713      -1.07368624       11.4723797    
 O    4.94003582       3.38037729       10.0690689    
 H    4.55128193       2.92190027       10.8246593    
 H    4.21502161       3.73767471       9.53432751    
 O    6.32329798      0.526397824       12.2054338    
 H    5.48425913       1.01341963       12.2331305    
 H    6.65059423      0.502413392       13.1023483    
 O    7.46214151      0.742184401       5.66305733    
 H    6.58491516      0.431925386       5.39010382    
 H    7.78994131      0.139993757       6.33906460    
 O    2.54479456     -0.326797009       10.7697067    
 H    2.46161914     -0.270211786       9.80839348    
 H    3.27829170     -0.935966253       10.9400682    
 O    4.17123890       4.26708078       6.02821970    
 H    3.76921535       4.46456814       6.88242817    
 H    5.06158352       3.93269181       6.21426916    
 O    1.29560316       2.16512942       7.18082285    
 H    1.63812113       1.31491089       7.49746275    
 H    1.65463090       2.26360464       6.29046345    
 O    2.81397533       2.28345919       4.80987835    
 H    3.32700729       3.02759266       5.17599058    
 H    2.61298227       2.51164293       3.90573502    
 O    8.46559048     -0.812740982       7.92253590    
 H    9.35669041      -1.15052938       7.93803644    
 H    8.39184093     -0.179855183       8.66025829    
 O    5.80531120      -1.40948069       8.33828163    
 H    5.55369186     -0.473173529       8.35770893    
 H    6.75662041      -1.41602015       8.17440224    
 O    3.82680297      -2.12771964       6.58205032    
 H    4.57402515      -2.00548673       7.19383049    
 H    3.78212571      -3.05855966       6.38136673    
 O   0.278311431       1.14154494       11.5510340    
 H   0.961708844      0.500527382       11.3110123    
 H   -6.30595237E-02   1.50728166       10.7258339    
 O    1.54076946       3.07570434       12.9557428    
 H    1.01998270       2.36955333       12.5290833    
 H    1.12587738       3.25629497       13.7948799    
 O    2.58826685      -7.21238479E-02   8.00773811    
 H    2.79786348     -0.860157549       7.49291897    
 H    3.40466166      0.454113722       8.04057884    
 O   0.974313080       4.57249355       10.5366774    
 H    1.20070219       4.19695044       11.3953648    
 H   0.337017775       3.96233058       10.1435375    
 O    6.54922819       3.05427718       6.71638584    
 H    7.04365826       3.28329539       7.51064920    
 H    7.00797272       2.32462454       6.27078962    
 O    2.81039739       4.18592024       8.53539181    
 H    2.20806503       4.48921824       9.23072720    
 H    2.34097314       3.48623228       8.06345844    
 O    7.54998970       3.64723682       9.32885170    
 H    7.93445587       4.47613811       9.60241318    
 H    6.63109970       3.64262915       9.65021229    
 O  -0.565991998       2.53879499       9.18596649    
 H   -1.45404208       2.60806108       8.84322071    
 H    1.77296791E-02   2.42641425       8.41820717    
 O    4.79886913      0.138034150       5.04937935    
 H    4.38690042     -0.641948879       5.43652439    
 H    4.10703993      0.804512620       4.96921921    
 O    8.10104942      0.935323119       9.97005081    
 H    8.00904751       1.87123466       9.75223064    
 H    7.52575779      0.778245211       10.7277279    
 O    3.84441876       1.77929056       12.0425940    
 H    3.15623546       2.29254651       12.4838572    
 H    3.39077401       1.06112182       11.5757170    
          69
 Energy    -248.29524510567035     
  O     17.56815742      8.48705302    -13.17011505
  H     18.01411693      8.55959302    -12.31337681
  H     12.22543675     11.26994942    -14.49382859
  O     12.07067890     11.46121158    -10.91055075
  H     16.75617731      9.01546891    -13.10067316
  H     15.32173256      7.16720415     -8.84134508
  O     11.09507247      9.29108682    -12.50066894
  H     12.80372901     10.86129529    -10.68722276
  H     15.59985936      7.06186460     -7.32630371
  O     15.96644937      6.25279950    -12.39984909
  H     11.82170456     11.90614647    -10.10478812
  H     14.46113164      9.76256620    -11.48214380
  O     18.69263013      9.00865824    -10.67887853
  H     11.25900740      9.61396279    -13.39471020
  H     14.06325637      8.74634795    -10.39111464
  O     19.98160243     11.40612278    -11.42770038
  H     11.28355062     10.03723805    -11.91881467
  H     18.65472570      7.32495925     -9.84202387
  O     16.50306971     10.00191017     -9.24769664
  H     16.52927515      5.54910192    -12.04341393
  H     17.60531537      6.75304552     -8.87467580
  O     11.82045835      6.81510089    -11.65730561
  H     16.55589119      6.94292482    -12.72465420
  H     16.30988373     12.54227624    -12.48707467
  O     16.67144859      9.26944457    -15.93726743
  H     17.92948131      9.36657524    -10.20185425
  H     16.33208563     12.46410032    -14.05624753
  O     13.60563439      6.50869353    -13.91023712
  H     19.28251856      9.75523476    -10.83815304
  H     18.34913450      3.85369361    -11.21521712
  O     14.00440012      8.81687503    -15.30177228
  H     20.84525255     11.80464192    -11.37067578
  H     17.99809663      5.17539085    -10.50645708
  O     11.81245372     10.53276652    -14.97953001
  H     19.82139456     11.20630225    -12.36823866
  H     15.36452911     10.80454696    -13.15504092
  O     15.94950534      7.41329596     -8.14167837
  H     15.65314232     10.02320952     -9.71136021
  H     14.73571288      9.52183204    -13.80247198
  O     14.10399693      9.69136831    -10.58135260
  H     16.43535159      9.23719612     -8.66318142
  H     18.78936019      9.86399412    -13.77042821
  O     18.37599663      6.51119316     -9.40178794
  H     11.02669302      6.29125338    -11.58507635
  H     18.73554997     11.20478765    -14.51692045
  O     15.75735327     12.54316288    -13.28430172
  H     11.54257215      7.70338871    -11.94394485
  H     17.42673937     12.34250593    -16.40080824
  O     17.68225413      4.53256933    -11.16453355
  H     15.72422664      9.07431384    -15.87657392
  H     17.05263499     10.97933242    -15.77347324
  O     15.19852674      9.86085785    -13.02534504
  H     17.09099787      8.74390152    -15.24988407
  H     14.88944445      6.68652532    -11.00034360
  O     19.28640392     10.67643750    -13.92726386
  H     12.94295810      6.53585079    -13.21144004
  H     13.38107947      6.78284192    -10.65275967
  O     17.31218898     11.89518297    -15.56637763
  H     14.44023589      6.29533671    -13.47044395
  H     18.21743422     12.07743847    -11.10685664
  O     14.26770137      6.92164575    -10.29469548
  H     13.20035056      9.34971516    -15.31599001
  H     17.00471383     11.64429122    -10.27506037
  O     17.27255414     12.23525490    -10.98698289
  H     13.79602908      7.95632840    -14.90384729
  H     12.65112876     12.26280168    -12.55207549
  O     12.93892518     12.46666550    -13.45065463
  H     11.20210817     10.92052791    -15.60101657
  H     13.88750901     12.64369153    -13.40357628
          69
 Energy    -248.29509057330716     
  O     12.32072755      9.99434078    -10.36597041
  H     13.16165843     10.40643980    -10.62588032
  H     15.59914962      3.98264304    -13.20570759
  O     13.16095967      4.35190596    -15.14406366
  H     11.90804285     10.58190571     -9.73730953
  H     14.38574979      7.95305139     -8.98194781
  O     14.89944002     11.84420449    -13.88335739
  H     12.70763704      3.61827860    -15.55021701
  H     13.07298326      8.35387194     -9.67946531
  O     15.92601933      8.72459039     -8.39440690
  H     13.68869139      3.98710858    -14.41020934
  H     18.67565723      7.12560346    -15.42502629
  O     18.68374557      9.80129932    -10.61402134
  H     14.02069600     11.57597155    -14.17818890
  H     20.07004507      6.63827106    -14.95679942
  O     11.23962853      9.05750847    -12.79074007
  H     14.89842799     11.69568233    -12.92932201
  H     11.93847856     10.07290055    -14.00593884
  O     14.77814517     10.92774614    -11.17229343
  H     16.15549288      9.63745489     -8.60103920
  H     11.85401260     10.80278108    -15.36887702
  O     16.41408305      6.10753500    -11.18093094
  H     16.70847532      8.20753387     -8.61957078
  H     13.02534716      7.17611748    -13.80825949
  O     17.51803754      7.69966209    -16.60304702
  H     18.61984401      8.91920925    -10.22465127
  H     12.46317838      5.76661481    -14.04680225
  O     16.98771153      5.29775063    -13.76230957
  H     18.66366075      9.67801939    -11.57116536
  H     14.72737462      8.49931063    -13.69366511
  O     15.24325213      6.17111392    -15.80847730
  H     11.54079218      9.32000418    -11.91048308
  H     13.64954580      9.14595753    -14.64973540
  O     14.71486440      3.63427509    -13.04180596
  H     11.41958007      8.11478307    -12.88370895
  H     13.21936296      5.85701875    -11.89315260
  O     13.59344765      7.59183734     -9.40517966
  H     15.43394229     11.21071264    -10.52214535
  H     13.61238944      6.17016999    -10.43100266
  O     19.19159995      6.84319608    -14.64757820
  H     15.09113133     10.07458729    -11.51087824
  H     18.67058930      6.60003042     -8.97447164
  O     12.46505502     10.51855500    -14.69430491
  H     15.49350309      5.83583638    -11.05766094
  H     17.56916568      6.77759444    -10.04489540
  O     12.41482699      6.52036333    -13.44600101
  H     16.68172732      5.81640076    -12.06392260
  H     17.54342403     10.83827244     -9.80937747
  O     14.25242070      8.39891502    -14.53519971
  H     16.73217239      7.14042007    -16.53764600
  H     17.25401563     12.00592255     -8.83669820
  O     13.73010692      5.52185783    -11.14483482
  H     17.23799879      8.60132960    -16.40464156
  H     15.83565043      7.77618655    -11.76479714
  O     18.16610778      7.25812617     -9.44579311
  H     17.84271789      5.68097885    -13.99222961
  H     16.62706227      8.81505896    -12.59276667
  O     16.83384205     11.31511736     -9.34124464
  H     16.38069490      5.57919277    -14.46103295
  H     17.77397200      9.60833543    -14.06658188
  O     15.74254390      8.59115986    -12.27073802
  H     14.54647164      5.50432533    -15.78276295
  H     18.66058192      8.38786986    -13.70024202
  O     18.24291078      9.17884641    -13.33749688
  H     14.85800545      6.97199420    -15.42251903
  H     15.76383231      9.41893870    -15.21255795
  O     16.46594559     10.07252976    -15.31702637
  H     14.37596569      4.10932680    -12.27072831
  H     16.09014306     10.86628716    -14.90660807
          69
 Energy    -248.29502691299382     
  O     -5.98336363      3.34769624     -1.67402926
  H     -6.80154420      3.70234252     -2.00929529
  H     -5.22360001      0.49845205      2.21666934
  O     -1.96085096      1.87095729     -3.92960052
  H     -5.96830028      3.52854041     -0.71464360
  H      0.24678467      1.32230805      1.95994824
  O     -5.81590826      3.65619284      0.98234325
  H     -2.42529679      2.49357614     -3.34498894
  H      0.19685132      2.73336617      1.28875403
  O     -2.03474486     -1.78086954      1.53109977
  H     -2.21436825      2.09658132     -4.82172787
  H      0.40390272      3.12760138     -1.06183172
  O     -0.71974579     -0.01488926     -0.95289957
  H     -5.07855430      4.10094528      1.41303909
  H      1.35328146      3.97459894     -0.17761703
  O     -3.59794389     -0.41742376     -2.90370799
  H     -5.87785291      2.76668401      1.36272533
  H      3.18725389      0.49027286      0.05553732
  O     -2.27192653     -2.29005086     -1.13968922
  H     -1.15327891     -1.42473581      1.69803475
  H      4.00051954     -0.58963622      0.80649082
  O      0.47123588      1.89380826     -2.44116296
  H     -2.64005224     -1.27433836      2.08634002
  H      2.02176539      2.47751873      2.46859582
  O      0.51118325     -0.41028627      1.46282305
  H     -1.44529147      0.54707801     -0.63483121
  H      3.17080161      1.59137674      1.96050179
  O      3.06055478      1.58819981     -1.31245885
  H     -1.11096477     -0.87306216     -1.15569789
  H     -4.79703570      0.23240785     -1.74125318
  O     -3.66586183     -0.12529848      3.18490683
  H     -3.13320279     -1.09179953     -2.39239495
  H     -5.61080956      1.50122368     -1.34820228
  O     -5.88492285      0.97581504      1.70451719
  H     -2.93688481      0.20207177     -3.23086922
  H     -2.89208854      3.20871586      2.59478729
  O      0.13762363      2.26863453      2.13606436
  H     -2.28499052     -2.15862976     -0.17397639
  H     -1.58246152      2.35498966      2.60289729
  O      0.43561696      3.69082672     -0.27662726
  H     -2.22122082     -3.23095229     -1.28503366
  H     -3.65807346      1.18864915     -0.26158781
  O      3.24353742     -0.01531780      0.88622116
  H     -0.19877090      2.00276785     -3.12429050
  H     -2.77008206      1.82541702      0.86004600
  O      2.97288069      2.47430900      2.29787386
  H      0.15342080      1.13974827     -1.91763011
  H     -2.43261584      4.73991867     -0.90033158
  O     -5.26495323      0.66503364     -1.01168392
  H      0.14056598     -0.29192892      0.57377178
  H     -1.09439723      4.71926619     -0.14552678
  O     -2.54846829      2.30871725      2.65871464
  H      1.46992864     -0.42287185      1.35097252
  H     -4.17962809      3.50980396     -2.04518791
  O     -2.78349346      1.55270838     -0.06410783
  H      2.26317752      1.66048993     -1.85223484
  H     -2.98754998      2.83525190     -1.32554277
  O     -1.97892788      5.10898599     -0.13258162
  H      3.22045699      2.47290458     -0.96048581
  H     -3.48914546      5.70024747      2.58259495
  O     -3.21597838      3.43930963     -2.05022852
  H     -3.26594929      0.75656358      3.09111724
  H     -2.93128775      5.01624702      1.31036567
  O     -3.47438433      4.87420685      2.10695308
  H     -3.77753962     -0.27698028      4.12069909
  H      3.81607796      4.79459074      0.21326657
  O      3.19700010      4.07717266      0.11243283
  H     -5.78781433      0.67367226      0.79060471
  H      3.20058615      3.57838093      0.94922983
          69
 Energy    -248.29501388540945     
  O     12.26034266     10.73189283    -14.87013247
  H     12.41687119      9.94750663    -15.41759788
  H     20.98950638      8.30290116    -14.36984813
  O     16.11263462      6.70008824    -12.99411244
  H     12.95960564     11.35052242    -15.10227813
  H     14.41855507      8.66064130    -14.94914765
  O     17.48766723     10.88275813    -11.66025761
  H     16.91539549      7.12785835    -12.66718287
  H     15.50264063      8.07974326    -13.97354509
  O     16.72647230     10.47190473    -16.02159912
  H     15.45281947      6.75098007    -12.28811255
  H     11.75165209     10.16993719    -13.28827871
  O     12.56823347      5.85753530    -15.30819780
  H     16.67838605     11.06734833    -12.16173343
  H     10.56645572     10.06302369    -12.30424681
  O     14.16916483      7.11062826    -11.06115091
  H     17.20312991     10.82429258    -10.74149350
  H     17.05205465      8.67745409     -9.23885528
  O     15.09637839     11.17036633    -12.96186207
  H     17.44379872     10.80701550    -15.46026891
  H     17.87316338      7.83689899    -10.23760971
  O     16.71716055      6.39881415    -17.49819833
  H     16.23347739      9.83248653    -15.48045212
  H     11.79636641      7.92199357    -12.81455567
  O     15.41800501      6.10204053     -8.85262222
  H     11.88959240      5.21260979    -15.48738325
  H     12.78919342      6.89813116    -12.24370621
  O     18.54807789      8.22036264    -16.39103467
  H     12.37128752      6.23670635    -14.43148804
  H     18.43711526     11.17437005    -13.31612412
  O     15.38440459      5.43524521    -15.36992780
  H     14.10909909      8.06348352    -10.92168703
  H     19.32134624     10.30592974    -14.22003804
  O     20.07866394      8.51645465    -14.18698822
  H     14.50705455      6.71002143    -10.24690785
  H     18.96556021      8.20497900    -12.72996755
  O     15.18526685      8.88142476    -14.40616176
  H     14.90978137     11.81903785    -13.64720682
  H     17.99439892      9.12322538    -11.95535817
  O     11.46771225      9.78208215    -12.44132221
  H     15.08107397     10.30937978    -13.41406196
  H     15.20819523     10.17685824     -9.69081863
  O     17.48446316      7.82224940     -9.35391226
  H     16.87780229      5.68281341    -18.10661451
  H     15.85750688     10.77578817     -8.42681659
  O     12.11187999      7.01808290    -12.92371412
  H     16.24515497      6.01971874    -16.73464277
  H     15.73907126      7.96237615    -17.86717261
  O     18.73004753     11.06890738    -14.22960663
  H     16.21705650      6.64388872     -8.97196804
  H     15.77218733      9.46658126    -17.53070602
  O     18.26575996      8.20117249    -12.06511521
  H     15.69998281      5.30725299     -8.40848360
  H     12.91068710      9.86865363    -11.20432653
  O     16.05626773     10.31918228     -9.24117146
  H     18.00751872      9.01704660    -16.42148114
  H     14.27617231     10.45355428    -11.54643957
  O     15.22064178      8.77746959    -17.91495148
  H     18.00429705      7.51910242    -16.77091343
  H     14.71922828     13.14368379    -15.99779626
  O     13.81238832      9.94083416    -10.86677704
  H     14.42179541      5.49266877    -15.34530787
  H     15.37915309     11.76650897    -15.79139449
  O     14.65515760     12.33751774    -15.49110823
  H     15.70049003      5.73951091    -14.50809653
  H     12.85676459      7.53709474    -16.07012217
  O     13.08040448      8.46409873    -16.21481860
  H     19.57380634      8.31451478    -14.99548560
  H     13.73405460      8.52370083    -16.92776367
          69
 Energy    -248.29501041761065     
  O     11.18009526     11.11862519    -11.78515323
  H     12.01578539     11.44409750    -12.14089333
  H     19.40702261      6.17021394    -15.53754862
  O     13.81356722      7.93322234    -15.35255867
  H     10.64761152     10.85070417    -12.54494747
  H     15.71196485     13.49897770    -15.31487946
  O     17.77225167      9.61549646    -10.79954699
  H     14.10208327      8.03593183    -16.26794869
  H     15.08307018     12.16341161    -15.77910237
  O     17.43576557      8.65763729    -16.98744862
  H     14.57041603      8.18879953    -14.80160934
  H     16.52229800      9.24883257    -14.22203254
  O     12.26469105     10.22281563    -15.13619790
  H     16.83344391      9.81792350    -10.91527036
  H     15.66339871      9.04945794    -12.94202401
  O     15.20740308      5.78328295    -10.21210749
  H     17.82862970      8.65652367    -10.72059146
  H     11.03752802      9.78623610    -10.66604343
  O     12.78342423      6.50658035    -13.21887421
  H     17.83150589      7.86283328    -16.60556517
  H     10.47056103      9.18411349     -9.35656294
  O     15.07516848      9.91283049    -11.46961022
  H     17.59752447      9.37595618    -16.36137664
  H     10.39205784      7.90794047    -11.68550897
  O     14.89766526      8.64231353    -17.84120211
  H     12.70565846      9.36318031    -15.19633033
  H     11.03950898      7.09029393    -12.82877360
  O     14.74889240      4.56764267    -12.58438397
  H     11.35615716     10.07655516    -14.84816779
  H     19.86588390     11.39065772    -12.38900470
  O     17.53111701     10.55953913    -14.93763414
  H     16.09625550      6.15814557    -10.22776048
  H     18.72116929     10.42266376    -12.04625555
  O     18.49521921      6.39401994    -15.71070857
  H     14.59073199      6.52819841    -10.24403617
  H     16.24869044      5.54026246    -13.22466137
  O     15.56337273     12.59524523    -15.04864627
  H     13.36699854      5.75108349    -13.07810561
  H     16.61356655      7.02721592    -13.51731078
  O     15.93809589      8.62786152    -13.76635613
  H     13.07721079      6.93825638    -14.03375109
  H     17.65493870      6.50985673    -11.70898884
  O     10.94053874      8.96201432    -10.15534332
  H     14.56080839     10.56082669    -11.96965403
  H     18.64543199      6.27218163    -10.54679308
  O     10.24315274      7.57839602    -12.58059041
  H     14.46641317      9.23159103    -11.15199093
  H     14.44583598     10.44322891    -17.34024953
  O     19.18713814     10.85108178    -12.78458407
  H     15.83736676      8.62916504    -17.57928350
  H     13.35838168     11.00721887    -16.41245202
  O     16.98829372      6.14543492    -13.35590444
  H     14.85835787      8.32586813    -18.73917289
  H     13.17467823      7.42058624    -11.66529751
  O     17.84785549      6.73932957    -10.78514354
  H     14.89466106      4.91010328    -11.68297177
  H     12.56583364      8.17888621    -10.45336751
  O     14.13971899     11.25822867    -16.92515316
  H     14.65350394      3.62181480    -12.51097362
  H     14.32959569     12.07547471    -13.65401775
  O     13.38946564      7.82657133    -10.81335945
  H     18.17702423     10.70078829    -14.22883420
  H     13.15621455     11.09912110    -13.82830167
  O     13.64858199     11.60230971    -13.16198390
  H     16.93525534     11.31811931    -14.95223020
  H      8.86102570      9.90934637    -14.25008400
  O      9.76745813      9.85795984    -13.96024469
  H     18.01685336      6.21242752    -14.88838450
  H      9.87583850      8.99738652    -13.51676551
          69
 Energy    -248.29492807742361     
  O     18.33672695     15.45895390    -16.06526009
  H     19.16094350     15.32962995    -16.55067088
  H     17.83539334     10.30763358     -8.63511654
  O     20.94820532     10.05599564    -15.58671456
  H     18.59117351     15.72771368    -15.17326218
  H     20.78840211     16.63606693    -10.70729703
  O     19.32089773     13.23868868    -10.03609490
  H     21.69281859      9.62267277    -15.99837418
  H     20.64777225     18.13363913    -11.07133224
  O     15.04265024     13.19638228    -12.28018583
  H     21.31475264     10.75148296    -15.01391799
  H     20.86220557     12.57823712    -10.82897346
  O     19.93425869      9.99524857    -11.45903666
  H     18.90896903     12.43944320     -9.68605305
  H     22.39539897     12.75552599    -10.90201452
  O     16.16416589     10.76001136    -11.26594135
  H     18.72375814     13.58373997    -10.71494787
  H     17.57281696     10.72318275    -13.82742306
  O     19.64860165     12.16159042    -17.04553784
  H     15.07245906     12.81000838    -13.17536796
  H     17.61804982      9.20334671    -13.89362645
  O     21.60776547     14.82261622    -14.65258444
  H     14.16993792     13.56145398    -12.16576098
  H     20.42842665     13.69443380    -17.25818696
  O     21.03561324     15.39130405     -9.50933124
  H     19.34909413     10.10924429    -10.69889941
  H     21.13047934     14.72038526    -18.18351605
  O     21.66332671     12.15340552    -13.97662622
  H     20.70031213     10.56381767    -11.30319816
  H     22.35150321     16.50502448    -12.19079896
  O     15.32210826     12.00090670    -14.67646171
  H     16.37381602     10.32796378    -12.10459055
  H     22.70804214     15.53662172    -13.33078675
  O     18.12286234     10.75081378     -9.42840138
  H     15.70415873     11.57593749    -11.49502816
  H     19.73059656     16.43921883    -12.78450326
  O     20.73401324     17.26327627    -11.45075282
  H     18.71762818     12.28804680    -16.82605460
  H     18.71566983     15.27650842    -12.97169601
  O     21.67182912     12.18194161    -11.18289177
  H     19.95327420     11.36463583    -16.59820050
  H     23.40387582     14.78934194    -11.21515021
  O     16.99810471      9.94267471    -13.84578517
  H     21.45235271     14.82425464    -15.60529625
  H     24.37619640     14.25636077    -10.13487860
  O     20.78346294     14.60140866    -17.30408527
  H     20.79986562     15.15707742    -14.23488018
  H     19.84904424      8.91040360    -14.44620543
  O     23.04144140     15.90616011    -12.50223200
  H     21.89751286     14.98422205     -9.65862070
  H     19.60619880      8.78808503    -12.93500958
  O     19.32103859     15.86590333    -13.44417578
  H     20.39008662     14.67237417     -9.54767403
  H     19.16651691     11.19878715    -12.67776420
  O     23.48097715     14.18542552    -10.45419461
  H     21.75225915     12.13881965    -13.01391615
  H     19.77123847     12.09264322    -13.76690427
  O     19.32471458      8.43555942    -13.78961097
  H     21.73317612     13.07675813    -14.25484910
  H     17.39720282     14.01075348    -16.37400700
  O     18.93734751     11.86691369    -13.34057376
  H     15.87183568     12.42368296    -15.34876356
  H     16.55971817     13.30516424    -17.46210159
  O     16.98884063     13.16252216    -16.62079339
  H     15.72981352     11.14122970    -14.50380134
  H     16.76787494     13.87032161    -12.16055323
  O     17.72200945     14.00841298    -12.17672820
  H     17.36849933     10.74365184    -10.04659062
  H     18.10525002     13.24624291    -12.64103770
          69
 Energy    -248.29479038923370     
  O     12.06007854     12.69415780    -12.12919658
  H     11.98567521     11.72272925    -12.14848413
  H     18.43049979     13.73109123    -16.20067041
  O     19.99242679      7.92166751    -10.73041830
  H     11.18277721     13.03705345    -11.98206732
  H     13.12046721      9.67696105    -15.31477511
  O     17.68059994     11.50038224    -11.74131323
  H     20.33441776      8.36513184    -11.52776456
  H     13.86939184      8.57551143    -14.56749493
  O     16.29844277      6.95986338    -11.98354235
  H     20.73444808      7.80196043    -10.14360286
  H     15.48840319      9.90697032    -13.61061114
  O     13.70023882      7.17067844    -11.03374950
  H     17.48238897     12.36913513    -11.37316727
  H     14.90125144     11.36086016    -13.53016788
  O     18.85720109      6.02968795    -12.58176945
  H     16.91516990     11.26161927    -12.29120333
  H     13.72937061     11.76434034    -15.73744260
  O     13.87183053     12.72203673    -14.27815363
  H     16.68264152      7.67758624    -11.46030807
  H     13.20674521     11.48217343    -17.16601606
  O     18.06047770      9.09117720    -15.47491778
  H     15.40028555      6.82133152    -11.65430647
  H     20.65165677      8.34837187    -13.76101156
  O     17.42742062      9.05355586    -10.44421775
  H     12.87594667      7.29319064    -11.50456774
  H     20.43635591      9.82939048    -13.39545257
  O     16.60596931     11.20697158    -16.68785925
  H     13.96428750      8.05420107    -10.74175834
  H     16.80159319     13.92943117    -14.29025157
  O     19.85145158      7.00976873    -14.90517576
  H     17.91228319      6.16516306    -12.42728991
  H     16.33107087     14.21884451    -12.83677719
  O     18.04457713     13.18105680    -15.52353330
  H     19.30053903      6.51624269    -11.87625182
  H     15.76259043     13.54836187    -10.69627067
  O     13.01810080      9.03345055    -14.60385697
  H     14.59025861     13.35658949    -14.12553661
  H     16.78618426     14.64492213    -10.31629371
  O     15.45967600     10.71568520    -13.08266815
  H     13.20917698     12.83465931    -13.58670876
  H     14.39378682     11.72192586    -10.21109750
  O     13.73549737     11.11408328    -16.46204591
  H     18.45710175      9.78892652    -14.93410204
  H     13.50650305     12.78435075    -10.88688806
  O     20.83294479      9.00703676    -13.07931575
  H     18.66330077      8.33870658    -15.42632685
  H     18.99658480     11.90826273    -14.51976649
  O     16.05527962     14.23700258    -13.76058711
  H     17.58654097      9.92281638    -10.84066019
  H     18.79635515     11.28640253    -13.12351527
  O     16.60887179     13.95733818    -10.95238472
  H     18.29562411      8.63388936    -10.38788171
  H     12.43986686      9.63411103    -13.01505679
  O     14.29184774     12.67218569    -10.33712163
  H     17.03055846     10.37519315    -16.44160510
  H     12.90182501      9.82693255    -11.54355116
  O     19.25277239     11.15924499    -13.96828405
  H     15.65330657     11.06339513    -16.66443497
  H     14.88935258     10.13744996    -11.50434342
  O     12.17368677      9.98859856    -12.15069782
  H     19.47151953      6.58415864    -14.11525405
  H     15.54755062      9.52973946    -10.25764877
  O     14.69383481      9.81499805    -10.60785931
  H     20.29714622      6.32678333    -15.39858059
  H     16.50262433      8.46654846    -14.80966079
  O     15.67763485      8.25961419    -14.35077955
  H     17.49424608     12.51940441    -15.98155161
  H     15.90471479      7.72439968    -13.57806015
          69
 Energy    -248.29437327734030     
  O     12.87783733     10.39224779    -10.71126320
  H     12.71140499     11.33134647    -10.70253432
  H     15.66123016      7.20491319    -14.27610616
  O     10.16082478      4.94893606    -10.66132430
  H     13.03216946     10.14643623    -11.64151190
  H     14.10500085      6.15685541    -13.08924606
  O     17.04956082      4.98748804    -12.48943796
  H      9.88913413      5.60690303    -11.31282696
  H     12.67298713      6.71096583    -12.96216827
  O     14.44399983      5.00671529    -16.52095163
  H     10.87573471      4.43069625    -11.05533794
  H     10.88037814      7.99643388     -9.56837667
  O     14.77590897      2.82759032    -10.72919029
  H     16.93772217      4.06142851    -12.73869275
  H     11.43408313      9.22311530    -10.34531305
  O     11.16022033      6.36522138     -8.59152479
  H     16.70873652      5.06834438    -11.58615902
  H     17.75110718      6.78103180    -12.32654530
  O     11.75164039      5.32123430    -15.62073144
  H     14.89903576      5.29024471    -17.30929417
  H     17.72491603      7.82353630    -11.19343449
  O     17.39265102      7.78705217     -9.35856935
  H     14.83884662      5.49206723    -15.77503578
  H     12.84391731      6.37838698     -9.31356194
  O     14.39850002      2.61320910    -15.00178337
  H     15.30747362      2.57058455    -11.49322035
  H     13.50923028      6.45405650    -10.72955152
  O     11.65600053      2.77815698    -14.26719271
  H     15.28041633      3.51583091    -10.28016132
  H     16.80556620      1.55278290    -13.28992539
  O     12.40063025      3.70837810    -11.82483091
  H     10.83816898      6.07208588     -7.74405502
  H     15.63113682      2.42145139    -13.79679131
  O     15.47262256      6.25987046    -14.34374256
  H     10.74375602      5.79876558     -9.26668727
  H     16.70344801      5.97280222     -9.57786179
  O     13.34658772      6.19870095    -12.49580357
  H     12.61371810      5.24732049    -16.04829538
  H     15.23031792      5.60473038     -9.78519634
  O     10.67445563      8.63433192    -10.26234356
  H     11.60303911      4.46725454    -15.19757686
  H     16.67183829      8.59319174    -13.18157460
  O     17.78530630      7.72985740    -12.15286102
  H     17.91052610      8.13162338     -8.63644084
  H     16.50843491      9.59386400    -14.34757859
  O     13.68363322      6.47432858     -9.77685627
  H     16.54685328      8.27246123     -9.35397297
  H      9.85283835      7.81333964    -11.54117108
  O     16.31724146      2.35157542    -13.10925055
  H     13.46200400      2.54900651    -14.77811564
  H      8.53747232      7.52811834    -12.30628268
  O     16.13070434      5.25314744     -9.86753206
  H     14.46548580      3.35098833    -15.62024173
  H     14.33878500      9.54730229     -9.81455116
  O     16.04090488      8.93438321    -13.84089007
  H     10.94968011      2.14049270    -14.20554138
  H     14.47553799      8.06430418     -9.46971976
  O      9.45035352      7.26081317    -12.23689263
  H     11.87129957      3.04754152    -13.35740046
  H     14.20691659      9.36541272    -13.47047870
  O     14.94170224      8.91170973     -9.41496419
  H     12.71725932      4.57840871    -12.11112342
  H     12.70577036      8.99642320    -13.66095957
  O     13.30623096      9.64419089    -13.26894982
  H     13.14189028      3.29821389    -11.35796475
  H     10.74105116      7.49874615    -13.53307209
  O     11.54551232      7.57490745    -14.06264621
  H     16.07647101      5.79453545    -13.74636278
  H     11.55477949      6.83488419    -14.68955825
          69
 Energy    -248.29411273607946     
  O     18.20148823      8.38919487     -9.84638002
  H     17.40867260      8.82854463     -9.51442018
  H     17.42169420     12.30056803     -7.16907058
  O     14.90556163      8.80680031    -10.82344739
  H     18.01485025      7.44497377     -9.78476472
  H     18.83369398     11.83724792    -10.58333628
  O     18.80572924      3.42452357    -12.94023573
  H     15.29081282      9.51930410    -11.34749858
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  H     15.10570827      9.01105335     -9.89967120
  H     19.25474557      9.09206826     -8.50477411
  O     15.97449018      9.25004693     -8.29955218
  H     18.64046865      2.52201748    -13.19736168
  H     19.04203959     10.27670495     -7.54389024
  O     17.92376571      6.78336562    -15.29319381
  H     17.99003193      3.92645012    -13.12379215
  H     19.08287051      8.92325708    -11.28517609
  O     22.84032912      7.40596309     -9.82120045
  H     21.82020510      7.04318220    -11.35288649
  H     20.02371626     10.02113843    -11.85725418
  O     16.63186028      6.77427350     -7.06315320
  H     20.62587951      7.70375085    -12.08387755
  H     19.83003914      4.75717064    -13.91274533
  O     21.15786710      5.78728480     -8.48304786
  H     16.41975546     10.01792919     -7.91963285
  H     20.62244540      6.03601174    -13.58101928
  O     19.48825315      7.00288972     -6.62222904
  H     16.16751341      8.48372496     -7.74332257
  H     16.15368986      5.45955812    -12.81439889
  O     17.24460731      5.76224038     -9.52743196
  H     18.76840513      6.41080633    -14.98242874
  H     16.96782865      5.65502729    -14.11828504
  O     17.56002665     11.47408496     -7.62266952
  H     17.92577467      6.70348013    -16.24367165
  H     15.67817007     11.49295442    -12.82083384
  O     17.92538655     11.87580987    -10.25953997
  H     22.27227846      6.83206419     -9.27398305
  H     16.64834198     10.29444645    -12.93278687
  O     19.65574417      9.56509370     -7.75940613
  H     23.73919875      7.13045456     -9.66209665
  H     22.28039069      9.19063963     -9.50760606
  O     19.61583976      9.17038362    -12.05746626
  H     16.11670083      6.16496434     -6.53995216
  H     21.22425079      9.92190977     -8.64996822
  O     20.15323302      5.58236614    -14.29428570
  H     16.82990777      6.32438001     -7.90339371
  H     14.30284689      5.81463423    -11.31791572
  O     16.67123679      4.99285338    -13.48088853
  H     20.58307488      6.13261832     -7.78485012
  H     15.08765608      7.14097391    -11.23996119
  O     16.18189864     10.87156411    -12.30095444
  H     20.59536887      5.31722809     -9.10857419
  H     17.61331234      8.43831231    -14.44037126
  O     21.90589662     10.06004573     -9.32274722
  H     18.53110570      6.89817225     -6.64023248
  H     18.36911020      9.21256806    -13.34643074
  O     15.18145949      6.18190266    -11.37987917
  H     19.64440568      7.93242958     -6.83774536
  H     21.22168825     12.25432092    -11.49546426
  O     17.58741226      9.24659769    -13.91790801
  H     16.54616699      5.81841629    -10.19277412
  H     21.15109183     11.09566050    -10.46994988
  O     20.63685352     11.59644072    -11.13022552
  H     18.02837483      5.36490291     -9.93330588
  H     19.35785746      4.27930206    -11.39468678
  O     19.56936732      4.92416922    -10.70823181
  H     17.67583830     11.68493312     -8.56855750
  H     20.08086426      5.62167728    -11.14330717
          69
 Energy    -248.29397194538376     
  O     12.37808622      9.41236305    -10.47904382
  H     11.58184588      9.95339003    -10.44723190
  H     13.79571212     12.56220190     -8.65277667
  O     12.10311476      7.41538628    -12.39105583
  H     12.26225163      8.73782267    -11.16157576
  H     11.82112725     13.47559616     -8.85961950
  O      8.56922241      9.18767142    -11.09698673
  H     11.23725743      7.55184857    -12.79513623
  H     11.28981802     12.05221772     -9.02803062
  O     14.87132621     10.54783784    -10.73512814
  H     12.09842005      6.58908864    -11.89027484
  H     12.68952991      9.00916485     -7.38035431
  O     16.16781368      8.12875155    -11.35032239
  H      8.87369796      8.76438187    -11.90856237
  H     12.67156012      8.68319638     -8.88398460
  O     11.76094891     14.88693765    -10.14213428
  H      8.50176783      8.50723095    -10.41612499
  H     12.31590647     10.93778125     -5.66943107
  O      8.51065403      7.60117935     -8.71947836
  H     13.98712341     10.16546658    -10.62724076
  H     12.02933806     11.38989176     -7.11480323
  O     11.29492398     12.82143677    -12.05862859
  H     15.45941331      9.80989583    -10.92983625
  H     13.91259113      6.14630016    -10.01177622
  O     14.32860655     14.52411167    -10.87364412
  H     17.06781045      7.82707153    -11.26238584
  H     14.13520356      7.22885994     -8.93861396
  O     10.99744446      6.25602814     -8.60355406
  H     15.63401859      7.60169687    -10.72893718
  H     13.93619293     11.84836249    -13.48839564
  O     14.42151486      8.36341204    -13.60639222
  H     12.69942193     14.86185352    -10.40735639
  H     14.35965511     11.73190582    -12.00507828
  O     14.73338028     12.63546033     -8.86525467
  H     11.52348099     15.80531220    -10.05142364
  H      9.21598279      8.05686281    -14.31175796
  O     11.86086273     12.59417806     -8.46723482
  H      7.70417683      7.34149440     -8.28109922
  H     10.10699646      9.17453065    -13.71665813
  O     12.84359922      8.29772081     -8.00969482
  H      8.82840902      8.40294627     -8.26565594
  H     10.46932348     11.73952334    -10.90740038
  O     12.02131145     10.62197669     -6.52049802
  H     12.22676766     12.63576759    -12.25217008
  H      9.52843451     10.52361235    -10.57589289
  O     14.57807931      6.73844003     -9.64310660
  H     11.29558070     13.62134296    -11.51928141
  H      9.61355799     10.44451825     -8.48012173
  O     13.97164268     12.33484094    -12.65651850
  H     14.32735044     13.93208927    -11.63616130
  H     10.28244661     10.06574652     -7.14870687
  O      9.71143707      8.30134748    -13.53473959
  H     14.62570556     13.97926333    -10.12882162
  H     11.80575339     10.65357521    -14.32926038
  O     10.17614607     11.14378387    -10.20294154
  H     11.58641019      6.93538227     -8.24763920
  H     10.88013030     11.47840234    -13.41327146
  O      9.49773967      9.90829245     -7.68621262
  H     10.11867271      6.65043465     -8.65049910
  H     13.94909678      9.79743297    -14.43153916
  O     10.91332053     10.68607164    -13.96053318
  H     15.09515056      8.27321737    -12.92285784
  H     13.95526337     10.62434052    -15.74073065
  O     13.61446216     10.61138279    -14.85068311
  H     13.62152870      7.95609035    -13.24523236
  H     11.79867633      5.53015699     -9.92610503
  O     12.33086490      5.22904682    -10.68619394
  H     14.92498780     11.87138174     -9.42704028
  H     12.28705842      4.27720709    -10.69657598
          69
 Energy    -248.29389874917149     
  O     15.64244885     11.50924974    -10.77118067
  H     16.04495761     10.92261231    -10.12228930
  H     17.55573582      4.17606358    -13.67249501
  O     14.54585780      7.18140404    -15.05830760
  H     16.18096522     11.42431445    -11.57177531
  H     18.40847791     10.01040354    -11.88356447
  O     15.15718480      5.14541602    -11.14339040
  H     14.55614544      6.26921592    -14.73962139
  H     18.88524471      8.55542067    -11.71960424
  O     18.55705540      7.00118524    -12.78654457
  H     13.71154817      7.57544308    -14.76506111
  H     15.54072285      7.88515023    -13.67655567
  O     16.10269711     10.92562549    -15.56664550
  H     15.15310674      6.05037110    -10.80344599
  H     16.90442848      7.74700370    -12.91228605
  O     10.84526928      6.60213325    -10.77857379
  H     14.28108215      4.77214404    -10.96261464
  H     12.65003451     12.21938557    -11.41649392
  O     12.27499164      8.21895084    -13.96581251
  H     18.67677436      6.87452409    -13.73673066
  H     13.99680143     11.47186587    -11.26924891
  O     15.11708910      7.82864416    -10.41588731
  H     18.38152705      6.13549522    -12.39512480
  H     13.02682082      3.98719970    -13.89031091
  O     10.57134077      6.09336615    -13.60152201
  H     16.28803012     10.06275241    -15.94736340
  H     12.01082363      2.86658039    -14.20716865
  O     18.52189909      6.60939620    -15.58054592
  H     15.19188066     10.88484181    -15.23358836
  H     13.44605591     11.05548754    -13.50710016
  O     16.48581126      8.15946935    -16.67128333
  H     11.41729457      7.38239473    -10.86961178
  H     13.01110583      9.92652548    -14.43994831
  O     17.26530536      4.18579934    -14.59398566
  H     10.17672191      6.82698658    -10.13620072
  H     16.83454378      4.67233406    -11.48718054
  O     18.79030640      9.39063774    -11.24545890
  H     12.43306831      8.39059934    -13.02822890
  H     18.12819094      3.89934032    -11.14352789
  O     16.04845505      8.19748228    -12.91954085
  H     11.60557833      7.52071753    -13.99770015
  H     14.80847484      4.90325292    -12.95926463
  O     13.08642196     11.39350579    -11.60776787
  H     15.70114997      8.33424143     -9.83868804
  H     15.52995952      4.40137627    -14.24320820
  O     12.11783066      3.68405262    -13.72751351
  H     15.41672684      8.01004463    -11.32307678
  H     12.31394684      3.97329443    -11.82620175
  O     13.56457913     10.71564213    -14.40126370
  H     10.51238884      6.21638670    -12.64554896
  H     11.96457773      5.06589057    -10.80151941
  O     17.74634004      4.50002720    -11.77853545
  H     11.01471132      5.24540959    -13.72764480
  H     13.44214193      8.37683795    -10.82577514
  O     14.67258567      4.68152267    -13.89077228
  H     19.28079404      6.63946609    -16.15916240
  H     12.66269019      9.64565673    -11.26691113
  O     12.56265728      4.32510630    -10.96271317
  H     17.84912407      7.18492275    -15.97805575
  H     17.70314707      9.44564640     -9.87144181
  O     12.59591920      8.68545866    -11.17937324
  H     15.72671795      7.81646197    -16.16721052
  H     17.44797849      9.65936778     -8.36131926
  O     17.00720305      9.50263759     -9.19186565
  H     16.18967059      8.26212487    -17.57310960
  H     16.67630736      9.90987830    -12.93811058
  O     17.10763713     10.77480781    -13.01244810
  H     17.70897840      4.93506049    -15.00844185
  H     16.91368701     11.05115676    -13.91747888
          69
 Energy    -248.29385031664842     
  O     20.59612262     12.11530377    -18.73556896
  H     21.24337509     12.67080227    -18.26202572
  H     19.36014741     13.50966810    -18.77489519
  O     17.46002804     17.90678371    -13.79568919
  H     21.06584116     11.67595451    -19.43882608
  H     14.76436577     12.52289260    -13.75552535
  O     22.72657127     13.47278685    -14.59907307
  H     18.36578714     17.58070337    -13.71734921
  H     15.13009855     11.04792009    -13.51890161
  O     15.73032596     14.05567575    -13.33774960
  H     17.25666386     17.90070193    -14.74076820
  H     22.19323554     16.41804985    -15.60274393
  O     16.70789809     12.59790284    -17.44309146
  H     22.64337666     14.44318382    -14.55168760
  H     21.56705566     16.35315345    -14.19700159
  O     16.67033727     10.04643250    -12.91785016
  H     23.51822544     13.24100004    -14.12157925
  H     18.74011547     12.48839424    -13.23432362
  O     14.70641349     10.85267896    -16.59241793
  H     15.74771255     14.87063019    -12.81956935
  H     17.57931758     11.65035211    -12.63456101
  O     22.19920624     13.77240689    -17.38056716
  H     16.52675764     13.55584888    -13.10538298
  H     17.76150762      9.91821156    -15.95624706
  O     21.77095164     16.60581672    -17.49256363
  H     15.94287756     12.02865854    -17.29166694
  H     16.22363867      9.79093596    -15.99789087
  O     16.14647610     16.43664202    -11.95386103
  H     17.47302143     12.11226294    -17.10189581
  H     16.57717313     16.64556053    -16.40071947
  O     20.04756975     12.61555756    -14.50272677
  H     16.84395889      9.77146844    -13.83586817
  H     17.77364799     17.33514133    -17.08060551
  O     18.70412208     14.19067031    -18.57923790
  H     16.65146030      9.25227385    -12.39065127
  H     19.54752126     15.94095621    -12.85011376
  O     14.52268595     11.62036345    -14.00342925
  H     14.56489886     11.16009844    -15.67823449
  H     19.55992347     15.90328230    -14.40553957
  O     22.37197194     16.14584793    -14.69589635
  H     13.86736135     10.52767240    -16.90663272
  H     18.46391997     14.14933029    -11.75101597
  O     17.97382254     12.53120716    -12.64574396
  H     22.44352635     13.59617437    -16.46370615
  H     17.80674536     15.52527224    -11.52083279
  O     17.01237964      9.46178551    -15.54997290
  H     22.10166472     14.72885212    -17.45800768
  H     19.55951499     11.33691947    -17.36086959
  O     17.00419976     17.50514588    -16.52931578
  H     20.86423729     16.77422615    -17.79049371
  H     19.39544499     11.57175918    -15.83603191
  O     19.85826064     16.41177350    -13.63837039
  H     22.32606134     17.23064536    -17.95513248
  H     18.00266274     14.90343686    -15.67656546
  O     18.65875082     15.07198792    -11.54467897
  H     15.66845818     17.00530134    -11.35709250
  H     19.11391584     14.60817602    -16.69106756
  O     18.98021603     11.16380083    -16.60943937
  H     16.56085330     17.01463736    -12.62092700
  H     18.94504960     15.94746624    -18.64110637
  O     18.96048876     14.78995791    -15.75841892
  H     20.99119464     12.79403537    -14.41680655
  H     18.79868381     17.36685847    -19.23470116
  O     19.16998791     16.88296497    -18.49991330
  H     19.66127591     13.40680877    -14.91116950
  H     16.24866360     14.08781862    -16.45729685
  O     16.19625146     14.88949225    -15.92092325
  H     17.89137770     13.72463470    -18.33909269
  H     15.93088118     14.62467354    -15.02901215
          69
 Energy    -248.29362272437987     
  O     15.98922337     11.06607378    -14.63325353
  H     16.50294575     10.64872903    -15.33877251
  H     14.27935904      9.59442029     -9.71491402
  O     16.34811678      5.64816952    -11.20499274
  H     16.13352749     10.54861050    -13.82726891
  H     16.57838297      6.75589400    -16.85628601
  O     16.37629713     13.60202917    -13.77367442
  H     16.62979532      6.30765432    -10.54442743
  H     17.17024955      6.85979412    -15.43781189
  O     13.68884100      6.64593352    -10.64317564
  H     16.64869948      4.79898119    -10.89240843
  H     15.65157609      6.99351714    -14.04892015
  O     13.53633582      9.97968186    -15.25296277
  H     16.00381983     14.25780695    -14.35697300
  H     16.48289695      6.41286224    -12.85069751
  O     17.44375298      9.77680703    -16.57575650
  H     16.17565747     12.73147026    -14.16108446
  H     17.72740290     12.43339221    -10.69598026
  O     19.71579516     10.53074067    -15.11756848
  H     14.52714378      6.21224537    -10.83839598
  H     19.01955724     12.78049919     -9.91652240
  O     12.25787876      7.51343707    -12.82368079
  H     13.89690201      7.36102395    -10.03032019
  H     14.26405465      9.69797462    -17.02602632
  O     16.05574591     12.77384345    -11.06314892
  H     14.34818548     10.45133258    -15.01485676
  H     15.73769764      9.65958049    -17.49341737
  O     11.94529571     10.17109963    -12.90492625
  H     12.90922187     10.13728122    -14.53738527
  H     16.95441697      9.52948454    -11.84015752
  O     14.11413424     10.67239750    -11.15536360
  H     17.46707564      8.80781728    -16.53741492
  H     16.23525156      8.58466656    -12.83353158
  O     14.44556444      8.91944075     -9.03751868
  H     18.28856324     10.08157042    -16.22097031
  H     18.20487274     13.02350192    -13.60750349
  O     17.36418165      7.03184195    -16.36745212
  H     20.61250280     10.68206893    -15.40604546
  H     19.04990157     12.43980598    -12.46820260
  O     16.53163868      6.96955943    -13.64026080
  H     19.48528437     11.26616978    -14.52296090
  H     18.90821005      9.11197893    -11.62578620
  O     18.67797126     12.23291098    -10.61832633
  H     12.68800910      7.16237142    -12.02958526
  H     18.68060522     10.38566455    -10.72400557
  O     14.84088732      9.39805434    -17.74033426
  H     12.79956489      7.22937447    -13.56929809
  H     14.24129801      6.89444687    -15.83578542
  O     16.18949824      9.45794219    -12.42636705
  H     15.31460355     12.15725843    -11.02723611
  H     13.92543321      8.18976772    -15.05214515
  O     19.02184044     12.54352805    -13.42705806
  H     16.05680749     13.15519612    -11.95066019
  H     18.47498769      7.87485640    -13.53312107
  O     18.47008818      9.45046220    -10.82913750
  H     11.02309010     10.40507016    -12.84584711
  H     19.39173538      9.04877785    -13.94563374
  O     14.11590211      7.24601033    -14.94590795
  H     11.99420129      9.19810339    -12.83649447
  H     17.57406137      8.23836650     -9.81032680
  O     19.22490641      8.40398969    -13.24671145
  H     14.81611130     10.19518728    -11.62803274
  H     16.15908898      8.08054887     -9.20318946
  O     16.95743759      7.59222206     -9.43759437
  H     13.32113992     10.60013931    -11.69974271
  H     14.47756811      6.25594685    -18.40196251
  O     14.80886396      6.67820664    -17.61455846
  H     14.03824265      9.23227603     -8.23339544
  H     14.78636758      7.63888472    -17.77687669
          69
 Energy    -248.29345041109315     
  O     12.04458919      8.87444750    -14.68985266
  H     12.75965632      8.36451831    -15.09600440
  H     19.93660397      7.82678840    -14.50240142
  O     16.70388082      6.55447746    -11.93295164
  H     12.37031137      9.77844210    -14.61646922
  H     15.62706258     10.49178987    -16.41934931
  O     17.88757512     10.30201407    -14.28729351
  H     17.13290554      7.12021887    -11.27797666
  H     16.43410687     11.03237164    -15.22125722
  O     14.69421943      4.75200556    -15.06679715
  H     15.89235557      6.23895911    -11.51404459
  H     16.56708604      9.10158166    -13.90881881
  O     14.10382593      8.93872929     -8.34822284
  H     18.53996840      9.99137727    -14.92825094
  H     16.17399998      7.85433732    -13.04940850
  O     14.39862974      5.97234404    -10.48536805
  H     18.26637067     10.11093998    -13.41439508
  H     10.23041155      7.06078645    -12.84527856
  O     14.29399807     10.22823706    -12.11696889
  H     14.45292201      3.92976819    -15.48483533
  H     11.42811047      7.81704409    -13.47044054
  O     17.81859393      7.39049130    -16.76489925
  H     14.15404707      4.82418570    -14.25863657
  H     16.92748500      9.07983065     -9.85246852
  O     15.72286536      6.76855929     -8.09799342
  H     14.66653754      9.63515449     -8.70976691
  H     17.02649192      7.70207602     -9.16942233
  O     19.77115710      9.05631612    -15.98259049
  H     13.47947797      8.72309288     -9.05441245
  H     12.44646774      5.75545733    -12.88648839
  O     17.34660552      5.70322030    -14.50331308
  H     13.85954635      6.77272342    -10.57514702
  H     13.58670630      5.22073717    -11.99988479
  O     19.77639328      7.24811610    -13.74567865
  H     14.83665956      6.04001071     -9.62874027
  H     19.33745330      8.52878499    -12.49533642
  O     15.62095907     11.16402333    -15.72727937
  H     14.84479075      9.61384393    -12.62787652
  H     18.66017662      8.96079137    -11.17239800
  O     15.82534793      8.55602512    -13.61422533
  H     13.85578322     10.78654832    -12.76913983
  H     16.26458350     11.46798909     -9.87871795
  O     11.17237565      7.18821717    -12.77149611
  H     17.58083416      6.82273512    -16.01967610
  H     15.30686354     10.56879108    -10.69335926
  O     17.44411558      8.26247434     -9.83460449
  H     17.02608812      7.86432661    -17.04127690
  H     14.82405267      7.85602087    -14.88399415
  O     13.17086222      5.11868544    -12.86560375
  H     15.79639839      6.44016957     -7.20605601
  H     14.36733599      6.51676115    -15.52704269
  O     18.99937721      9.29611157    -12.00774437
  H     15.12095628      7.53448294     -8.06978251
  H     13.26798832      8.97348684    -11.25670613
  O     15.84365192     10.61165546     -9.88463457
  H     20.42163008      9.22593407    -16.65767657
  H     12.14268473      7.91536232    -11.36642974
  O     14.28066290      7.47467678    -15.59341495
  H     19.11453509      8.44525738    -16.36527298
  H     14.11230468     11.38995495    -14.89408384
  O     12.81916760      8.26552770    -10.77368062
  H     17.22170479      5.91672222    -13.56688231
  H     12.89428878     12.30772047    -14.63893516
  O     13.27221878     11.46429298    -14.40546748
  H     16.53279709      5.25284089    -14.75932495
  H     14.96779074      8.38985229    -16.91629572
  O     15.50653199      8.92717138    -17.52301751
  H     19.12866837      6.60314447    -14.04766078
  H     15.09715009      8.86828211    -18.38274793
          69
 Energy    -248.29335489086105     
  O     10.05854550      1.69482724    -21.69464153
  H     10.47662869      1.28451244    -20.91856286
  H      9.14063132     -3.43440814    -21.82008483
  O     11.08636620      4.22003384    -21.03648111
  H     10.27373581      2.63206051    -21.61416952
  H      9.85342194     -1.17415376    -17.28576794
  O     11.18021240      0.69697675    -19.45371903
  H     11.83890792      4.04325642    -20.45462447
  H     11.10415893     -1.85769803    -17.84445859
  O     12.66445661      0.56172826    -16.40067928
  H     11.46962286      4.58071290    -21.84877204
  H     13.58091340      3.06387217    -19.15834714
  O     13.78949185      1.26784233    -18.96178527
  H     11.21296640     -0.26821180    -19.41111395
  H     12.87306400      4.32837315    -18.57397749
  O     13.47441930      2.73851644    -24.64906101
  H     10.63815784      1.02892949    -18.72789865
  H     11.59545967      4.10849456    -16.61260411
  O      8.18578078     -0.36796639    -18.09076409
  H     12.06545745     -0.17406283    -16.59555153
  H     10.86202442      4.84078419    -17.75110285
  O     11.58613164     -2.08988377    -19.62124908
  H     13.21944041      0.70237687    -17.17621922
  H     11.38201459      1.09573133    -22.80182831
  O     12.01333135     -1.95566676    -23.19440115
  H     14.20983883      1.00743052    -19.79070916
  H     12.08045305     -0.18229201    -23.36538364
  O      8.36388716     -0.48386228    -20.98643054
  H     12.84355468      1.10608770    -19.11154911
  H     14.26865602     -1.19756276    -21.25537655
  O     12.63256432      5.01814370    -23.14121866
  H     13.46278695      2.55902902    -25.58573122
  H     14.80104328     -2.62782956    -21.01375356
  O      9.73961299     -2.71219146    -21.65166625
  H     12.98720748      2.01407154    -24.22067691
  H     14.35872321      4.74116726    -20.57510186
  O     10.75906823     -1.41012011    -17.05875357
  H      8.50671036      0.52337595    -17.87151973
  H     15.38625962      5.81707193    -20.99110402
  O     13.33344369      3.97791519    -19.35020118
  H      7.35224846     -0.47624806    -17.63824454
  H      9.31871763      2.84413746    -18.10883656
  O     11.70976422      4.78235556    -17.29499880
  H     10.94362128     -2.40305740    -20.27105233
  H      9.95549917      2.20130516    -16.84286351
  O     12.17252162      0.77537188    -23.25488893
  H     12.45510336     -2.13971016    -20.03866389
  H     11.77941192      1.88399302    -15.78623511
  O     13.99904439     -2.11871195    -21.09989556
  H     12.72511490     -2.16826336    -22.57867814
  H     11.13885780      2.61723638    -14.58213373
  O     14.85984514      5.09691813    -21.32872452
  H     11.19936747     -2.25632394    -22.77051223
  H     13.61356576      0.63472886    -22.08116146
  O      9.43184817      2.01142845    -17.63273192
  H      8.77347708      0.33131246    -21.30418087
  H     15.02338122      1.23238553    -21.92850250
  O     11.17805852      2.60955174    -15.53421312
  H      8.27792846     -0.40695513    -20.02831356
  H     15.47836774      3.54239523    -22.24551540
  O     14.44104366      0.53764688    -21.58950432
  H     12.86753099      4.30199072    -23.74431979
  H     15.01131896      2.76417885    -23.48567870
  O     15.61849912      2.72267672    -22.73548865
  H     13.42397919      5.17846258    -22.61087363
  H      9.89551231      4.45669195    -19.75178476
  O      9.34612044      4.49730195    -18.95027635
  H      9.19172618     -1.92684761    -21.47365648
  H      8.65432852      5.13030937    -19.12500765
          69
 Energy    -248.29324905051618     
  O     11.48374099     13.67698310    -10.56798199
  H     10.96150028     13.21804881    -11.23831710
  H     12.14931924     12.38237784    -13.09999279
  O     11.08196688      7.93782720    -16.00910673
  H     11.40793286     13.16033917     -9.75763622
  H     15.61113952      8.48617668    -11.84245273
  O     11.60988068      9.71024438     -9.81990562
  H     10.78258317      7.23772439    -16.58209599
  H     16.37559957      9.75066500    -12.39184761
  O     12.80183036      8.41862511    -13.84706475
  H     10.28980743      8.31726156    -15.58673667
  H     14.49358402      6.20817476    -12.28825654
  O     11.94471766     10.64240266    -16.49180487
  H     11.35161330     10.38935435     -9.18759874
  H     13.75771546      7.51413460    -12.66850318
  O     10.59700361      9.39842497    -12.34737173
  H     12.39312411     10.06707388    -10.27359782
  H     13.81312577     15.56747554    -11.64503664
  O     15.04193838      9.08698658     -7.50795412
  H     13.34095579      9.15861440    -14.16343898
  H     13.00365954     14.33502016    -11.18478417
  O     13.82134530     10.83091489    -10.98241355
  H     12.26707232      8.12050742    -14.59405351
  H     13.79189192      7.45175636    -10.17593249
  O     14.17245654     11.64501924     -8.33494837
  H     12.81510180     10.68667400    -16.07610251
  H     12.73387300      8.26929628     -9.40383003
  O     16.25209756     13.03947288    -11.94759137
  H     11.70513387      9.70759739    -16.49756233
  H     16.59310136     11.78954058    -13.09281374
  O     11.47347307     12.05128513     -8.19860118
  H     11.38504160      9.07869232    -12.80675434
  H     17.65134785     11.18081981    -14.04188980
  O     13.10469409     12.44787892    -13.23231425
  H     10.80235926      9.39417805    -11.40257357
  H     10.07364955     12.22009424    -13.65428761
  O     16.07219430      9.29694975    -11.59508792
  H     15.08796927      8.60268251     -6.68779749
  H     10.41458008     11.21088276    -12.53606088
  O     14.34935202      7.10999897    -12.01187312
  H     14.52545770      8.54037767     -8.12585262
  H     15.96640809     12.43602034     -8.82975104
  O     13.80396207     14.61418008    -11.66498707
  H     13.65950708     11.41959099    -11.72713400
  H     17.15025719     11.55131315     -9.22370294
  O     13.51144033      7.70587122     -9.28989701
  H     14.62968927     10.33452099    -11.16546764
  H     13.80970760     11.30401370    -14.30341239
  O     16.77940786     11.03595375    -13.68459966
  H     14.12942122     11.47370252     -9.28849470
  H     15.17197427     10.66417648    -14.60847232
  O     10.39842336     12.15563448    -12.74668818
  H     14.48554121     10.82252375     -7.93430714
  H     10.56050939     11.53694940    -15.86073074
  O     16.79681828     12.44837251     -9.31627158
  H     16.53254856     12.84867609    -11.03870685
  H      9.36811764     12.48262205    -16.13384501
  O     14.23275696     10.59045645    -14.81028189
  H     15.50570285     13.63982513    -11.86320584
  H     16.99879534      9.50300882     -9.99840574
  O      9.75089322     11.91311062    -15.47175251
  H     11.15837422     12.33158488     -7.34334133
  H     16.66676222      9.44006192     -8.50144317
  O     17.34884572      9.72011128     -9.12317475
  H     12.44159973     11.97411929     -8.13091717
  H      9.11935719     10.13859503    -14.98496555
  O      9.08204183      9.21719181    -14.70028587
  H     13.38957222     13.28963266    -12.85552770
  H      9.42300225      9.21072156    -13.79447489
          69
 Energy    -248.29309702098533     
  O     17.28186049     10.16955871    -17.51860723
  H     17.39473548      9.61958402    -16.72712252
  H     18.04541177      6.23571170    -10.77807837
  O     15.77423346      5.85822190    -13.33911628
  H     17.96383490     10.84984065    -17.48080896
  H     20.82113864      8.90630085    -17.20765971
  O     18.06096306     13.55651543    -12.05417414
  H     16.41002499      6.16482690    -12.68327595
  H     20.78758039      9.54030442    -15.80483868
  O     20.03315550      9.15004222    -14.21072300
  H     16.27215093      5.73271953    -14.15974577
  H     16.79596210      8.82089806    -14.72371337
  O     15.73496726      6.21971252    -18.10466941
  H     18.00332052     13.52915759    -13.01734388
  H     17.44864160      7.61844494    -15.45072989
  O     15.42016299      9.31719341    -13.68356796
  H     17.22371119     13.18939832    -11.74218963
  H     14.65971460     11.25151797    -16.02856274
  O     17.96853941     12.34019413    -14.68443774
  H     19.89814222      9.82422076    -13.53149304
  H     15.50457498     10.57697248    -17.12627147
  O     19.84957133      6.53487905    -13.33765934
  H     19.16046092      8.95547618    -14.58999610
  H     16.37698829      9.41157511    -12.24848924
  O     13.58529129      7.26449930    -14.05900768
  H     15.12342819      6.84584563    -17.67244757
  H     17.29592362      8.60475270    -11.32084442
  O     19.93916409      5.37939252    -16.01985162
  H     15.20561289      5.67192986    -18.67725331
  H     13.83075614      7.64446835    -15.90868888
  O     17.17855425      5.81110760    -15.74755816
  H     15.20541057     10.20154397    -14.00803700
  H     14.19573190      8.85470432    -16.80593719
  O     17.83136543      6.79102776    -11.52417720
  H     14.66854397      8.72881426    -13.81889732
  H     18.97003569     11.90812571    -12.10938546
  O     20.95358156      9.73678800    -16.73921499
  H     18.49202789     12.27931132    -15.49175857
  H     18.42529071     10.45745673    -12.03531648
  O     17.55114556      8.56054133    -15.26851539
  H     18.39185809     11.76745798    -14.03146143
  H     15.12500705     12.14080080    -10.61965655
  O     14.61058004     10.62594730    -16.75837246
  H     19.91081560      6.05018823    -14.16649200
  H     16.11690538     11.15676746    -11.26760752
  O     16.95634379      9.49451649    -11.47265382
  H     20.07225415      7.45023288    -13.56323120
  H     20.96598714      7.10708140    -18.82863057
  O     14.10191690      7.89107600    -16.79957664
  H     12.79320262      6.93036549    -13.64820499
  H     19.52123015      7.42221247    -18.37453280
  O     19.12364712     11.00579199    -12.41923908
  H     14.32069199      6.69380276    -13.76797657
  H     15.21454986     12.17094426    -13.32279403
  O     15.70094699     12.02666705    -11.37260783
  H     20.46334973      4.60198616    -16.19841532
  H     16.17691240     12.16946803    -14.52381745
  O     20.41726773      7.20719305    -18.05461046
  H     20.16403919      6.02949573    -16.70480267
  H     20.03338144     11.18774062    -16.98790529
  O     15.25324754     12.00902854    -14.27225118
  H     18.09054863      5.53819737    -15.90464208
  H     19.87659478     12.59469274    -17.61526770
  O     19.42882210     11.94625291    -17.07892252
  H     16.71373307      5.83667823    -16.59462898
  H     17.17768417      7.25615384    -18.71575792
  O     17.93944216      7.82688834    -18.87116120
  H     18.55792486      6.68078533    -12.16281227
  H     17.68451666      8.70328318    -18.55063011
          69
 Energy    -248.29307124051050     
  O     -4.77151690     -0.25499509     -3.90361508
  H     -4.73908672     -1.18376591     -3.63968603
  H     -2.87113221     -0.31349365     -1.48527566
  O      0.96198406     -1.31617193      1.66684803
  H     -4.37590930     -0.22353880     -4.78354299
  H      2.32768058     -5.62552323     -0.26147357
  O     -1.06059021      2.14153278     -2.18708961
  H      0.46472259     -2.14539418      1.53632404
  H      2.27836378     -4.07850267     -0.30333185
  O      0.06285481      0.08254061     -0.59407213
  H      0.97680767     -1.14865573      2.60490136
  H     -1.13368037     -3.68864408      0.69630998
  O      1.25579914     -1.00803709     -6.68453160
  H     -2.00282489      1.95587003     -2.08876789
  H      0.32494849     -4.20287916      0.63897282
  O     -4.05808711     -3.31244786     -6.10313866
  H     -0.60699906      1.58284421     -1.54161291
  H      0.46301375     -3.51024418     -4.54819968
  O     -2.09210888     -4.40491036     -3.05979354
  H     -0.75747522     -0.38418175     -0.81533031
  H     -0.53975376     -3.85210003     -5.68280714
  O     -3.78452265      1.26371180     -1.89632206
  H      0.37018164     -0.27701354      0.24745314
  H     -2.48964098     -4.14372618     -1.17474985
  O      1.79281670     -1.21090276     -2.32956646
  H      0.50835233     -0.50057419     -7.02058685
  H     -2.56899799     -2.70408562     -0.66848279
  O     -1.34008631     -1.16922792     -4.09508210
  H      0.89949127     -1.84591113     -6.35579803
  H     -2.74310699     -4.43523375     -6.03024836
  O      0.60906848     -3.68784242     -2.73204817
  H     -4.43228341     -3.27376952     -5.21396548
  H     -2.09629873     -5.79994426     -6.37363451
  O     -2.28229065     -1.07828697     -1.48337659
  H     -3.80351497     -2.40396333     -6.31520011
  H      2.72488018     -1.99671424     -0.89822283
  O      1.76377357     -4.88789591     -0.47693823
  H     -1.18991946     -4.10250274     -2.88261623
  H      2.40966996     -2.02418693      0.60645596
  O     -0.27867306     -3.65028586      1.14773553
  H     -2.07505589     -4.78123526     -3.94763790
  H     -3.65383341     -3.42408979     -3.17499427
  O      0.13178809     -3.21473337     -5.40859557
  H     -4.18104543      0.79951109     -2.65553037
  H     -5.06674992     -3.38680447     -2.57967138
  O     -2.61162906     -3.62525737     -0.37123307
  H     -4.49598760      1.71335029     -1.44833112
  H     -2.60016390     -0.90364531     -5.38029935
  O     -1.98210653     -5.01506336     -5.84527478
  H      2.07942827     -0.68609694     -3.08494659
  H     -2.54327560     -0.14531058     -6.70900838
  O      2.93189924     -2.46337247     -0.07680704
  H      1.20975717     -0.66367248     -1.78323963
  H     -0.71251828      1.13341899     -6.29671443
  O     -4.53941851     -3.04870491     -3.30085928
  H     -0.82628012     -1.86321506     -4.52625904
  H     -0.88656059      1.59597491     -7.76100140
  O     -3.13292012     -0.66928185     -6.15692636
  H     -0.87812112     -0.33041336     -4.22931498
  H      0.78370006      1.14770598     -4.53716170
  O     -0.94686976      0.83229781     -7.19223147
  H      0.97042507     -2.79954649     -2.59618627
  H     -0.45870980      1.74218342     -3.78264523
  O     -0.15847634      1.34245803     -4.61327242
  H      0.98122280     -4.24012950     -2.03431979
  H      2.11409768     -0.20713378     -5.40082480
  O      2.44911528      0.28554517     -4.62925861
  H     -1.98978114     -1.19767619     -2.39968443
  H      3.30483445      0.63093468     -4.86863286
          69
 Energy    -248.29300753076325     
  O     -9.76972476      1.29995670      3.59128883
  H    -10.17791563      2.06690445      3.16858396
  H     -6.29512572      0.54787005      1.89380434
  O     -5.69184574      1.61149513      6.11886853
  H    -10.23337167      1.11694863      4.41757764
  H    -10.27841743      0.03244582      6.23998924
  O     -7.41993556     -1.34323184      4.13768715
  H     -6.27494351      1.93201755      5.41170449
  H    -10.46675825      1.53811794      6.58376359
  O     -8.15239328      4.59004216      5.98881845
  H     -6.27434298      1.40502392      6.86330744
  H    -12.56625760      5.15215352      4.23778185
  O    -13.12441748      2.32313144      5.53846527
  H     -6.48956238     -1.10948709      4.24741004
  H    -11.21279686      5.85160698      4.45121792
  O     -7.43230010      2.59870755      4.27664134
  H     -7.66356192     -1.05102710      3.25258792
  H    -13.24066260      3.11442025      3.99368626
  O     -7.70784098      1.01985320      7.87827291
  H     -7.89461075      3.87029797      5.38959482
  H    -14.12364706      3.61064548      2.82398538
  O     -9.81794648      2.97889209      7.47924900
  H     -7.40641970      5.20110544      5.99371854
  H     -8.76229565      0.40508212      2.42828299
  O    -12.24056912      4.43598020      7.26013386
  H    -12.46074758      1.63914038      5.69768719
  H     -8.30203767      0.74401932      1.02360805
  O     -6.94781786      6.01888118      2.81410956
  H    -12.95973228      2.99815279      6.20889717
  H     -8.69810859      5.87138695      3.28293732
  O    -10.62658839      3.56175680      2.21994480
  H     -8.21896545      2.07263230      4.08485991
  H     -9.17911966      5.25493623      4.59752217
  O     -5.40480761      0.90843371      2.00747903
  H     -7.08167482      2.91622508      3.43503372
  H     -7.22784971      3.21922156      1.20541638
  O    -10.83913206      0.80106772      6.07598726
  H     -8.10287829      0.23926539      7.46968808
  H     -5.92814253      2.61818665      1.79816769
  O    -12.07900425      5.71022339      4.85556371
  H     -8.40799310      1.68163253      7.92700548
  H     -8.38959675     -1.24120639      5.59848122
  O    -13.24294954      3.65918356      3.18562002
  H    -10.64732922      3.46648470      7.55932819
  H     -8.97317407     -2.06575777      6.76638137
  O     -8.14652092      0.11498556      1.73597009
  H     -9.20568605      3.58146382      7.03121245
  H     -5.01465316      0.29237887      5.15304216
  O     -9.49753352      5.57991094      3.74442078
  H    -12.15101757      4.96398124      6.44666021
  H     -4.00530254     -0.84392422      4.85929853
  O     -6.48017981      3.41561496      1.78447812
  H    -12.72447920      4.97250203      7.88253371
  H     -4.63507482      3.08368033      6.00049133
  O     -8.89184044     -1.17705748      6.42937042
  H     -6.47643664      6.07930183      3.65363566
  H     -3.39635403      3.62047004      5.26675019
  O     -4.76066505     -0.38407217      4.50242816
  H     -6.65998707      5.19445140      2.39964235
  H     -9.04931790      2.88112237     -0.54685950
  O     -4.15344753      3.89575235      5.77892970
  H    -10.21079466      4.28368015      2.71504726
  H     -9.49847359      2.96358335      0.92648770
  O     -8.80460082      2.62239681      0.33868104
  H    -11.57148783      3.58958189      2.41803275
  H     -5.39071847      6.82349132      5.89542869
  O     -5.80034731      6.06138647      5.49374590
  H     -5.05339527      0.48155090      2.79648407
  H     -5.17861058      5.32145208      5.60118196
          69
 Energy    -248.29299661471094     
  O     13.14880383     11.52712459    -10.41367894
  H     12.32886646     11.43666672     -9.90985783
  H     16.74899207     15.70741525    -17.84146942
  O     11.10839885     11.99610085    -15.24527579
  H     13.11993896     12.40238128    -10.82541142
  H     13.85653133     14.52703464    -11.17321463
  O     13.25703672      9.68841408    -12.50085951
  H     11.17476545     12.50910003    -16.06041474
  H     13.76385166     13.61520925    -12.41583933
  O     18.57623848     13.51938713    -13.52976790
  H     11.05981304     12.63732617    -14.52068783
  H     11.62892973     15.02626080    -14.46070380
  O     10.62559652     11.42570338     -9.29139675
  H     14.13524586      9.28383148    -12.46416367
  H     11.94471687     14.91083953    -15.96347345
  O     13.56381650     10.77858095    -15.02308466
  H     13.21460681     10.30860128    -11.75859862
  H     14.27916107     12.26517538    -14.25522175
  O     15.46435509     15.02876617    -10.30845970
  H     17.98572627     14.24358936    -13.25091080
  H     14.83808919     13.73675704    -14.22153614
  O     10.52285569     10.10779002    -13.21002760
  H     19.46813896     13.81666735    -13.37274065
  H     16.99953113     12.32933054    -16.21710279
  O     14.89609975     15.44256635    -14.83387641
  H     10.09955026     10.82952255     -8.76342629
  H     17.90698042     13.17535671    -15.27325395
  O     14.25900433     13.15644228    -17.90098549
  H     10.08589518     11.64450976    -10.06592924
  H     12.58323403     13.47213080    -17.62122611
  O     10.89617127     13.81674616    -13.11942173
  H     12.69884701     11.16692911    -15.21296562
  H     11.22521151     13.89418249    -18.23097481
  O     16.18976832     15.14221114    -17.31643506
  H     13.48874251     10.32167721    -14.17310241
  H     16.50490226      8.43517657    -11.93803467
  O     13.23988894     14.00201534    -11.69565172
  H     15.64893994     14.09121780    -10.11717325
  H     16.32430909      9.85543533    -12.49610158
  O     12.16510163     15.40753487    -15.16604400
  H     15.58109499     15.50516785     -9.49097494
  H     15.97071663     10.13578620    -17.04024279
  O     14.72789674     12.92284457    -13.71128214
  H     11.40403722      9.81455565    -12.94415157
  H     14.96197520     10.81348390    -16.08996392
  O     17.54298593     13.12521072    -16.16482317
  H     10.63821369     10.59701891    -14.03545987
  H     16.05441412     12.05058448    -12.90950626
  O     11.65430723     13.67451980    -17.40860321
  H     13.93790361     15.54356364    -14.93830540
  H     17.58173903     12.11811371    -12.78009748
  O     15.92534781      8.97075111    -12.47446060
  H     15.29557981     15.46298668    -15.71167547
  H      8.31199634     11.89743812    -11.87518372
  O     15.70629979     10.98366018    -16.69151582
  H     14.87386433     13.89510544    -17.80789376
  H      9.66851886     11.22596398    -12.19975715
  O     16.81466435     11.60217580    -12.50659039
  H     14.73944250     12.37546203    -17.60350327
  H     16.38439611     15.38408567    -11.94044390
  O      9.24649182     11.94167214    -11.68913856
  H     10.26217821     13.32434404    -12.58604587
  H     16.15246367     15.59735720    -13.45772174
  O     16.83687324     15.45729465    -12.78914914
  H     11.67531414     13.95098839    -12.55866050
  H     16.26407396     12.03153585    -10.75978299
  O     15.81963473     12.35344141     -9.96465722
  H     16.76218332     14.45269019    -16.93018071
  H     14.94639845     11.93901139     -9.96375447
          69
 Energy    -248.29297680142724     
  O     -1.38407549      3.73121104      2.72505697
  H     -2.01094998      3.43671040      2.05006232
  H     -0.77849534      8.17712489      0.40046823
  O     -2.53639192      5.69959028     -0.81440278
  H     -0.92454215      2.96023690      3.08013809
  H      1.52401032      1.44051801      0.53719281
  O      4.38435782      6.39996468      0.86990677
  H     -2.61487691      6.35909984     -0.11191749
  H      0.07563694      0.97732772      0.38608213
  O      1.83177098      7.03467467      1.84074611
  H     -1.63029306      5.76272324     -1.14204010
  H      0.26749500      4.24638199     -2.29827858
  O      0.21444425      5.92775788     -1.43406367
  H      4.01010020      6.18086467     -0.00214102
  H     -0.41674482      3.15586764     -3.15518841
  O      2.25124878      2.99103651     -0.47817059
  H      5.20800667      6.85338564      0.71180153
  H     -3.78554640      1.13776793     -2.30120937
  O      0.60051738      4.67004880      0.95132259
  H      2.76235759      6.90542205      1.61747521
  H     -3.53086425     -0.23037844     -2.98187203
  O     -2.42987286      7.60004761      1.23745375
  H      1.73370229      6.94002947      2.79736421
  H      1.51232917      3.09349187      3.91340602
  O     -1.15408729      1.48744685     -0.89790288
  H      0.32102239      5.41756266     -0.61249657
  H      2.74517489      3.78530767      3.28661564
  O     -1.36567955      6.39999095      3.41177345
  H      0.18576823      6.85448339     -1.14841460
  H     -3.51753375      5.14878245     -2.21886557
  O     -2.88014663      3.18834189      0.46733273
  H      1.70101341      3.52842502      0.11897791
  H     -4.42884930      5.41862254     -3.43658572
  O      0.08680385      8.24006349     -0.02161544
  H      1.73084704      2.89009880     -1.28642871
  H     -2.34759285      2.04218886     -3.73182115
  O      0.83411114      0.94028841      0.98548993
  H      1.02956274      5.44310583      1.34312477
  H     -2.64825265      3.54887653     -3.75377820
  O      0.27594384      3.30073853     -2.49191678
  H     -0.06085922      4.35103068      1.57531555
  H      0.24150131      0.87758168      4.09705810
  O     -3.10266845      0.57664305     -2.71066581
  H     -2.04722035      7.19370865      2.03614403
  H      0.51668868      1.33799834      2.64578635
  O      2.08229523      3.86604819      3.98746465
  H     -3.07609658      8.23335925      1.53869547
  H      1.59604221      6.64870931      5.35836167
  O     -3.97133362      4.72590828     -2.96608364
  H     -0.65216666      2.11623811     -1.43600662
  H      1.57061892      5.46126452      4.36551906
  O     -1.97984687      2.89544649     -3.99322421
  H     -1.75211880      1.02246071     -1.49634841
  H      3.54512223      3.32393190      1.03531395
  O      0.29320173      1.65010836      3.54081957
  H     -1.47076761      5.44632333      3.27872835
  H      4.16552516      4.62040021      1.57854118
  O      1.29725033      6.38929356      4.49149208
  H     -0.51821135      6.50446532      3.85751495
  H     -4.30871468      2.59773566     -0.69425608
  O      3.87109898      3.73914314      1.84048192
  H     -2.76655123      4.05547055      0.05491221
  H     -4.66623747      3.17488878     -2.06996854
  O     -4.75586439      2.38355723     -1.52357674
  H     -2.26512563      2.58289623      0.02636591
  H      3.02714457      4.62435282     -1.21032950
  O      3.13805231      5.56492497     -1.39852296
  H      0.72378926      7.96270324      0.65267305
  H      2.25157810      5.88422771     -1.59664888
          69
 Energy    -248.29289618547296     
  O     12.43646557     11.71399911    -14.20551174
  H     13.22790869     12.22501415    -14.00776228
  H     16.17056702      6.97152792    -15.77855584
  O     16.36817091      7.00692719    -14.00800814
  H     12.68098134     11.06689412    -14.88236134
  H     20.83546840      8.54210139    -14.57028817
  O     17.50881843      9.75005732    -10.82806888
  H     17.08345846      7.10040099    -13.36638908
  H     19.38178767      8.64826537    -15.08270704
  O     17.04493649     11.87370310    -14.67532453
  H     15.54812042      6.82049179    -13.53159692
  H     14.74239812      9.63794288    -14.84548946
  O     13.10158129      6.85336049    -15.57759347
  H     17.30883371      9.30096715     -9.99691760
  H     15.89582465      8.75492778    -14.26521566
  O     14.16065147      7.42745533     -9.25808748
  H     16.68088783     10.15922512    -11.11796952
  H     11.46221039     10.82234551    -13.03090718
  O     13.83890968      6.64944292    -12.89024855
  H     17.79188137     11.74493367    -14.07165793
  H     10.11335515     10.60361495    -12.32330523
  O     15.13700521     10.77394069    -11.84184278
  H     16.51897158     11.05944372    -14.61277441
  H     17.16066138      6.61482107     -9.61686314
  O     17.49515293     11.21531892    -17.30607467
  H     12.36706425      6.27514527    -15.77085382
  H     17.77825584      6.31755848    -10.99028296
  O     14.73266683      5.03890722    -10.78704180
  H     13.30733950      6.72807566    -14.63694238
  H     19.40096486     10.31386157    -13.37283889
  O     18.36240583      8.62026366    -16.50502317
  H     14.22886324      6.55414257     -9.66083732
  H     18.60523487     10.71771414    -12.11460796
  O     15.84480780      7.11615941    -16.68140545
  H     13.69892472      7.97741665     -9.90642053
  H     18.11418743      8.31721834    -11.76675576
  O     19.93980897      8.70836120    -14.28761704
  H     13.55982526      7.45003550    -12.42156200
  H     19.04943823      7.84631586    -12.91404820
  O     15.52878484      9.64602317    -14.28475476
  H     14.05603147      5.99293818    -12.21549526
  H     15.74927312      7.98243809     -8.79469370
  O     10.99797653     10.25603653    -12.39052096
  H     14.97557732     11.68755183    -12.09910898
  H     16.76981607      8.30273018     -7.67697931
  O     17.24873345      5.92333915    -10.28478406
  H     15.25595153     10.29900330    -12.68162267
  H     15.48158945      8.76126705    -17.59325684
  O     18.99050814     11.06620380    -12.92811986
  H     17.90896442     11.90270853    -17.82186102
  H     15.91932790     10.22662765    -17.79418829
  O     18.41991816      7.53576897    -12.25149028
  H     17.36940202     11.57108307    -16.41090494
  H     12.30372614      9.29304124    -11.67956349
  O     16.68438881      8.19356653     -8.62029797
  H     15.66365916      5.28758636    -10.64253720
  H     13.80791716      9.58218210    -11.45380972
  O     15.17102057      9.62652395    -17.89249607
  H     14.64945149      4.12588654    -10.52558031
  H     15.66877023     12.82175763    -13.91080608
  O     13.13821128      8.88725277    -11.40354659
  H     18.12719700      9.49104820    -16.84991230
  H     14.96181529     14.07733621    -13.35834980
  O     14.88230548     13.12939455    -13.43219980
  H     17.61687572      8.04381532    -16.70187913
  H     13.83845046      9.75270858    -16.71634088
  O     13.28575007      9.66605636    -15.92358667
  H     14.90423185      6.92209167    -16.60482478
  H     13.05666118      8.73274398    -15.83697698
          69
 Energy    -248.29285129483733     
  O     17.49960496     10.37580767    -14.16752825
  H     17.84892006      9.65080241    -14.69811720
  H     15.02454080     10.20508779     -7.50207820
  O     14.58282492      5.79928093    -10.06815486
  H     16.60394316     10.58339405    -14.46965640
  H     14.69147591      6.87829160    -16.68267675
  O     18.55069405     12.24744870    -12.52751305
  H     15.29791184      6.23463928     -9.56756540
  H     16.07198250      7.07576322    -17.32639343
  O     12.93433832      8.04648227     -9.49886438
  H     14.56628263      4.88759730     -9.79089951
  H     15.62518472      7.79001934    -12.22358681
  O     14.89239015     11.01910029    -14.68777607
  H     18.27081500     11.61256004    -13.21144473
  H     14.89230347      6.50482745    -11.74693035
  O     18.54596028      8.20607525    -15.52562330
  H     19.08757878     12.90283161    -12.96854403
  H     17.77142437      8.46153187    -17.11395864
  O     20.77494827      8.23266289    -13.86474108
  H     13.54953748      8.52960428     -8.93285081
  H     17.78828957      8.52416412    -18.65747677
  O     16.94987929      6.22668130    -14.45074480
  H     13.36597485      7.20625097     -9.69678970
  H     15.69858675      9.66722274    -17.55548319
  O     12.17958803      9.77651404    -11.42708319
  H     14.87935821     10.87627975    -15.64673011
  H     14.24608947      9.41198310    -17.11734300
  O     15.64391119     12.68924057    -12.46842520
  H     14.36606787     10.30562504    -14.30493161
  H     15.88124877      9.89974098    -11.40482638
  O     14.62021262     11.00016949    -10.61664335
  H     19.39480774      8.21396509    -15.06461683
  H     16.86950174      9.66441943    -12.59578352
  O     14.98126976      9.63087934     -8.26276565
  H     18.00808826      7.50141503    -15.13167794
  H     19.64135568     10.69978905    -11.84320219
  O     15.54677793      6.45053553    -16.81239586
  H     21.72370300      8.15264706    -13.91536701
  H     19.66296095      9.29463717    -11.18504051
  O     15.10782812      7.02763616    -12.52824194
  H     20.58567753      8.86211054    -13.14617209
  H     18.74587531      7.24836824    -11.10932071
  O     17.20744565      8.54474687    -17.90096123
  H     16.29181432      6.43373452    -13.77343253
  H     17.78934305      8.44717746    -10.89810648
  O     14.89260705     10.11359895    -17.26812824
  H     16.46111736      6.13904765    -15.28258545
  H     13.95206067      8.10727318    -13.37917206
  O     16.48858317      9.26517555    -11.80321830
  H     11.30650520     10.11353411    -11.24413634
  H     12.85415284      9.14062296    -13.02737451
  O     20.13972564      9.87813013    -11.79157944
  H     12.37194120      9.10279572    -10.74904368
  H     18.40975426      6.04888877    -13.20285607
  O     18.51762060      7.95578542    -10.48706222
  H     15.37140144     12.27658663    -13.29931601
  H     19.76103719      6.76773137    -13.03538516
  O     13.37882935      8.79052047    -13.75762577
  H     16.60757583     12.66631381    -12.44357419
  H     17.27766623      7.41052011     -9.21866012
  O     19.11585264      6.22400961    -12.56823751
  H     13.76109663     10.70479506    -10.94188113
  H     16.06787545      8.06440354     -8.50517637
  O     16.45748910      7.21514405     -8.74529528
  H     14.92641527     11.71966634    -11.18999990
  H     12.26436294      7.77401910    -16.61784110
  O     13.16402810      7.99708710    -16.39178438
  H     14.91892772     10.20673253     -9.04312391
  H     13.15896388      8.26519522    -15.45823994
          69
 Energy    -248.29243798900228     
  O     19.38545718     10.49185805     -8.23081388
  H     19.21802503     11.11240128     -7.52645113
  H     18.68502974     10.47698181     -9.93894118
  O     18.72356501      5.54788969    -10.19243216
  H     19.01874925      9.63648361     -7.94369635
  H     21.06859816     10.30218260     -9.11939785
  O     19.27623747      4.69728321    -14.04230887
  H     19.15715152      5.50822354     -9.33108374
  H     22.00588739      9.14500523     -9.50668630
  O     20.09590234      7.29087250    -14.02960471
  H     19.01433247      6.37535479    -10.61390235
  H     18.60156933      9.74059177    -14.37313664
  O     21.79034358      7.27469814     -9.64886407
  H     19.88620787      4.38754761    -13.35568318
  H     17.99228885      9.46941261    -15.77116812
  O     17.00198293      5.11989586    -12.38229476
  H     18.39932562      4.67856672    -13.64035748
  H     21.67046809      4.75050425    -11.69876309
  O     22.67536027      7.88706093    -13.23412318
  H     19.82245916      6.36634320    -14.13358028
  H     20.23668632      4.58225170    -11.15148826
  O     20.22995368      5.94220789     -7.84849877
  H     19.45831603      7.84736460    -14.48882658
  H     14.49040369      7.38806329    -13.22287210
  O     23.23837098      5.87010255    -11.54508739
  H     22.41820760      6.77294099    -10.18483493
  H     13.13114177      6.84707284    -13.72045262
  O     19.65750609      7.82190289    -11.32888517
  H     21.07787229      7.54143872    -10.25205813
  H     15.04787795      9.26673385    -10.91849017
  O     18.36064716      8.07899792     -7.54804147
  H     16.13144747      5.02416981    -11.96936105
  H     16.12577862      8.57774355    -11.80454139
  O     18.39889021     10.29469097    -10.84174062
  H     17.63674857      5.11848879    -11.65419245
  H     16.64633666      6.77128524    -13.10150733
  O     21.85034969     10.08872111     -9.64238807
  H     21.83387056      7.66105036    -13.65642155
  H     16.88925901      8.08778967    -13.93240606
  O     18.11467466      9.08547181    -14.90708862
  H     22.58830699      8.80309047    -12.94577279
  H     22.06218972     10.43117865    -11.36120312
  O     20.86255699      4.23160429    -11.79305229
  H     20.88049799      6.41072436     -8.40041085
  H     22.82977463     11.25304263    -12.41783595
  O     13.56529569      7.23660061    -12.96534738
  H     20.71914811      5.38987700     -7.24459336
  H     17.09020437      6.37894657     -9.56289246
  O     15.98340542      9.02595982    -10.95845780
  H     24.09299344      5.49283855    -11.73365040
  H     16.23628526      7.65870798     -9.78509732
  O     16.27088317      7.62792665    -13.35239678
  H     23.09657934      6.58553931    -12.19272597
  H     12.48188462      9.19546594    -10.54666593
  O     22.19130824     10.55083410    -12.31799976
  H     19.83018237      7.68853596    -12.27066896
  H     13.19794418      8.61048906    -11.77600351
  O     16.35152598      6.88917936     -9.20731128
  H     19.26300571      8.69289974    -11.20368965
  H     20.45279861     10.70324207    -13.10558292
  O     13.24597692      9.31078466    -11.10699834
  H     17.56761425      7.72314096     -7.96716152
  H     19.06150528     10.75586800    -12.45935512
  O     19.51297935     10.74966758    -13.31604610
  H     18.98960158      7.34881032     -7.50513902
  H     15.01185349      5.85937267    -10.25984960
  O     14.62415521      5.35647722    -10.98729327
  H     17.49079493      9.96075217    -10.80792910
  H     14.12402537      5.98389462    -11.52096648
          69
 Energy    -248.29220594190531     
  O     16.34304303     11.34742912     -9.85248515
  H     17.17031523     11.42399902     -9.38392056
  H     14.15110828      7.91092121    -14.14781958
  O     12.31794200      5.95807604    -12.06769316
  H     16.55975702     11.08445875    -10.76282062
  H     15.87080312      5.18872979    -15.78463008
  O     16.66182953     10.77811594    -12.51999701
  H     12.78723654      6.48206512    -11.40153796
  H     14.78105289      6.00458049    -15.01881346
  O     17.47867968      9.25862583    -14.63426957
  H     12.92109931      5.24089138    -12.29280671
  H     17.39041394      7.56341288    -13.79006842
  O     15.33242069     13.07858912    -13.44732252
  H     17.10286895     10.28888602    -13.22924264
  H     16.71372953      6.17878536    -13.96289138
  O     14.01441234      7.41514354    -10.45053579
  H     16.27493274     11.57149074    -12.91523249
  H     14.43909298      8.36852542    -11.90105347
  O     15.21805367      9.40608789    -16.27177217
  H     18.23017523      9.13020050    -15.22534825
  H     15.30039706      9.49765257    -12.57779696
  O     13.73740528     11.43826032    -15.14287824
  H     16.69166416      9.33895679    -15.19309191
  H     13.35059611     10.30149751     -9.57199084
  O     16.90579581      5.31374892    -17.30509443
  H     14.91613861     13.16536514    -12.57086205
  H     14.86273657     10.30901696     -9.27561178
  O     11.14673642      7.52337104    -13.92227864
  H     15.64656633     13.94514254    -13.69159776
  H     14.46282993      3.13285306    -12.69398325
  O     16.14792260      5.81363048    -11.06951246
  H     14.07951966      8.15567619     -9.83229635
  H     14.78390218      4.40422621    -13.51040107
  O     13.78566048      7.45947862    -14.92673413
  H     14.83685838      6.90257637    -10.45913018
  H     13.04223058      9.71659866    -12.96352265
  O     15.40933102      5.26969221    -14.94109520
  H     14.73852492     10.20341232    -16.00449768
  H     11.63142002      9.30825481    -13.41531951
  O     17.41381119      6.64679331    -13.48633252
  H     14.67685672      8.66689004    -15.96143287
  H     18.71540774      6.09646886    -14.77281074
  O     14.58178296      8.87189973    -12.71522020
  H     13.06240356     11.07355331    -14.55883142
  H     18.48981034      5.59804105    -16.21115436
  O     14.05116052      9.80808128     -9.12842533
  H     14.23899891     12.06586102    -14.60803690
  H     17.84981101      8.26133164    -17.57780082
  O     14.42972469      4.08593377    -12.66340500
  H     16.88709019      6.25033162    -17.57320984
  H     16.33243546      8.53279630    -17.48754794
  O     12.15193099     10.06776385    -13.12802466
  H     16.89066458      4.79847571    -18.10710359
  H     13.51414798     12.55745665    -10.82292290
  O     19.15578654      5.97888424    -15.62556962
  H     11.50567517      6.94074331    -13.22627009
  H     15.00459050     12.60376153    -10.42639712
  O     16.99213772      7.95884066    -17.90026514
  H     10.30302579      7.16102081    -14.17686728
  H     20.33612932      8.75905697    -16.75446049
  O     14.32901625     13.06205939    -10.94202171
  H     15.60743155      5.13087439    -11.48597317
  H     19.45834272      7.60713869    -16.20605799
  O     19.44430645      8.53438739    -16.50502586
  H     16.71698821      6.15165592    -11.77305161
  H     11.22108655     11.49146373    -10.37161611
  O     12.11074888     11.32143617    -10.67181778
  H     12.83260759      7.42874577    -14.78722494
  H     12.03541014     10.89946645    -11.54326320
          69
 Energy    -248.29214091701536     
  O     15.04676580     14.03867211     -9.71810388
  H     15.30021784     13.99413676     -8.78664290
  H     13.93687882     10.22549025     -8.63035928
  O     18.06993944      6.03592019     -6.65780998
  H     14.50956654     13.25645859     -9.89165890
  H     17.10787160     11.36537047    -13.48219530
  O     18.62509334     13.98963185     -8.51851653
  H     18.07373841      6.68751447     -5.94596778
  H     15.68303524     10.79792267    -13.70881673
  O     15.44759535      5.54925131     -7.13032743
  H     18.35107276      6.51539954     -7.45030753
  H     19.75694088      9.42922908    -11.29448646
  O     18.08031614     12.26180166    -12.21605500
  H     17.84885098     14.00976054     -7.94698672
  H     18.87500302      8.44433383    -12.09539954
  O     20.11761783     11.64516585     -8.62835378
  H     18.31045764     14.27834495     -9.38310660
  H     17.29050355     15.55635361    -11.34656707
  O     17.66905385      8.28594977    -13.55237323
  H     16.40274321      5.60762762     -6.94457092
  H     16.48295342     14.46199329    -10.60967400
  O     15.56066269      7.46853739     -9.17126910
  H     15.19290603      4.64103393     -6.99575433
  H     17.67583482      8.24051264     -3.88185891
  O     16.71621347     11.08381044     -7.67448417
  H     17.90658109     13.14478728    -11.86376065
  H     16.73185267      8.22530816     -5.10597300
  O     13.96484285     11.44966724    -10.20637883
  H     18.96418468     11.98431989    -11.93802735
  H     16.42214403      9.92121512    -10.83460437
  O     16.12797536     13.67997855     -7.12201031
  H     19.62595113     12.47043086     -8.50286604
  H     17.16241827     11.27695930    -11.00376900
  O     14.36556971      9.69538648     -7.94894012
  H     19.83032083     11.02737273     -7.94791382
  H     18.63992540      9.24012074     -6.09564441
  O     16.59484588     10.73937562    -14.01392835
  H     17.32997635      9.16399047    -13.80451706
  H     18.81815464      9.01345480     -7.61607106
  O     19.35718731      8.55155152    -11.26763193
  H     17.86335027      7.82093828    -14.36142492
  H     18.77492513      7.99309632     -9.69287558
  O     17.34485149     14.66311974    -11.01707305
  H     15.11043384      8.22146579     -8.76214444
  H     17.41664261      7.71791177     -8.98341507
  O     17.66684963      8.23135555     -4.83535497
  H     15.44393845      6.71611807     -8.57879139
  H     16.28955071      8.16516107    -12.28281213
  O     16.64624297     10.74447092    -10.38585284
  H     16.80136060     11.01625162     -8.63838747
  H     15.55571590      7.92500515    -10.90399480
  O     18.93609998      9.66731184     -6.90850513
  H     17.48604958     10.63761890     -7.30044598
  H     21.37664881     11.33408607    -11.44966589
  O     18.36991151      7.77092543     -8.84165853
  H     14.92142194     11.28617534    -10.21036863
  H     20.36529864     11.34489696    -10.27828278
  O     15.55682132      8.44429888    -11.71978343
  H     13.68425768     11.20087281    -11.09432888
  H     15.06162419      7.14933708     -6.12625894
  O     20.45763098     11.19501751    -11.23821298
  H     16.31804798     12.73257358     -7.23996958
  H     14.66582332      8.61842283     -6.36599821
  O     15.08254742      8.02843906     -5.72674966
  H     15.85737607     13.79753863     -6.21546521
  H     14.42000226      9.59625042    -12.44995133
  O     13.92282764     10.33579642    -12.84246057
  H     15.17954667     10.17625757     -7.72881726
  H     13.24619166      9.94667202    -13.39153346
          69
 Energy    -248.29211011965731     
  O     -0.86632149      0.17406164      1.03933103
  H     -0.83684480     -0.78941309      1.00349760
  H     -0.69799328     -2.02396653      4.46648101
  O     -1.44813145      5.25771348     -0.96100316
  H     -0.36445860      0.46448091      1.81165605
  H     -3.87427704     -0.56398757      3.31449934
  O     -2.36097666      4.18381592      1.46954625
  H     -1.65197430      5.94437691     -1.58961367
  H     -2.95682037     -1.67986667      3.86267198
  O      2.17382570     -0.66450020     -0.40465122
  H     -1.76552722      4.41907351     -1.34292748
  H     -2.86198275      4.05210275      4.56878132
  O     -3.53155245     -2.84994818      0.89308579
  H     -2.13629536      4.69433489      0.68181344
  H     -3.29564416      4.27918687      3.11722409
  O     -1.01444760     -0.81700017     -2.43743173
  H     -2.64636866      3.31172328      1.16790957
  H     -0.59814426      0.97718046      4.32826983
  O     -3.43162550     -0.74403896     -1.03214916
  H      1.71543095      0.09831624     -0.77630952
  H     -1.42733699     -0.01565400      5.16950146
  O     -2.19229312      2.75418744     -1.68214399
  H      1.74984017     -1.44046036     -0.79080717
  H     -3.58532562      1.46733165      1.63992713
  O      0.29064222      1.40302193     -1.12787951
  H     -3.63161673     -2.36885083      1.73506995
  H     -2.36799589      1.03877245      0.80853281
  O      0.56905885     -2.77113901     -1.51707277
  H     -4.17784856     -3.55071770      0.89704580
  H     -2.91452438      1.14533551      3.94359275
  O     -0.74751971     -2.63384097      0.93662240
  H     -0.56673002      0.00892353     -2.22504076
  H     -3.94489481      2.24819463      3.69488538
  O     -1.46650717     -1.86955209      5.04524246
  H     -1.89342903     -0.77133164     -2.03207181
  H     -0.89932496      3.86583077      6.29987118
  O     -3.65874927     -1.50049460      3.22525487
  H     -3.60411156      0.02817190     -0.48361366
  H     -1.22229715      2.67680253      5.36973159
  O     -3.63505065      4.04595090      3.99226163
  H     -3.53451907     -1.50163757     -0.44248246
  H      0.82296240      3.94301077      0.95764123
  O     -1.34353753      0.91912851      4.94736205
  H     -1.35088666      2.28141902     -1.65045526
  H      0.21941200      4.46095930     -0.35656346
  O     -3.19952299      1.53924808      0.75656056
  H     -2.74302434      2.33905019     -1.00867587
  H      0.15407093     -2.51601194      2.49694963
  O     -3.74689310      1.32467372      3.48491683
  H     -0.10521356      0.93816279     -0.37247179
  H      1.34502329     -1.72693311      3.07237260
  O     -1.11041701      3.64170127      5.39669371
  H      0.61259911      2.25372009     -0.79327811
  H      1.47569727      0.77876787      2.86025834
  O      0.88017954      3.85322451     -0.00043626
  H      0.78971575     -3.41303654     -2.18570784
  H      0.64441728      2.13454833      2.90955049
  O      0.58933275     -2.26624765      3.32575173
  H     -0.02239205     -2.11651374     -1.93429879
  H     -0.76027110      3.97278672      2.30746444
  O      0.63919065      1.18879284      3.11133344
  H     -1.68820799     -2.83774933      0.85579706
  H     -0.16147463      3.95393879      3.71769270
  O      0.07581890      3.86682499      2.78650201
  H     -0.31965084     -2.80817204      0.08837970
  H      3.61185311     -0.58194430      2.40288943
  O      2.67251614     -0.49389551      2.26486523
  H     -1.43589121     -2.53574296      5.72660975
  H      2.52442027     -0.57181550      1.30584188
          69
 Energy    -248.29196202123671     
  O     10.18446312      8.91472979    -12.69070264
  H     10.92966623      9.52768758    -12.75140240
  H     14.30431009     11.76718943    -15.29898480
  O     14.53028510      7.39816044    -15.21459358
  H     10.03776295      8.58367886    -13.58458275
  H     16.43885906      7.69687917    -12.78640364
  O     16.21630273      9.75134315     -9.66550419
  H     13.74575936      7.93547458    -15.38896177
  H     15.20097815      8.51001591    -12.20524001
  O     12.41284161      9.17329920    -15.56589980
  H     14.93300045      7.75213185    -14.40350156
  H      9.67573778      6.59836672    -10.58331288
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  H     18.61966068      7.77656835    -10.31719828
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  H     12.46938530      9.56442264    -14.67992090
  H     18.87410250      8.95750372    -11.27997825
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  H     11.60140235      8.65162856    -15.59481169
  H     10.74709935      5.76359714    -12.84266430
  O     16.32114356      4.37567257    -12.56848128
  H     15.96396727      5.08762819    -10.82551595
  H     11.94900056      5.31370345    -13.70012860
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  H     14.79696584      5.86205751    -10.19003306
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  H     14.05234416      5.96957262    -14.16371562
  H     18.67006929     11.55254125    -11.43500212
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  H     14.63028264      4.88864201    -13.21557784
  H     18.41372656      6.99481905    -12.40788098
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  H     14.65825510      9.35441627    -10.40994449
  H     18.13255409      6.85494119    -13.94610715
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  H     17.68644244      7.00248322     -8.03086477
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  H     16.84321672      6.68474289     -9.28765651
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  H     15.73119121      9.79667793    -16.81690197
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  H     16.79035364      3.56215394    -12.73396787
  H     13.66605871     11.20862217    -17.76359648
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  H     16.93052399      5.10257604    -12.78991210
  H     12.22563679      6.46506181    -10.87745146
  O     17.46865170      7.32382484     -8.90156539
  H     16.44232348      9.81959918    -13.56348246
  H     13.39726251      6.09108367    -11.81857352
  O     14.09575365     10.81498388    -17.00822642
  H     16.95081554     10.30513655    -14.90990537
  H     13.05065727      9.94757494    -12.31099208
  O     13.18846013      6.42224197    -10.93318071
  H     17.82897339      8.14249096    -15.98989564
  H     13.15621990     11.03816501    -13.41654125
  O     12.58523567     10.34132767    -13.06313367
  H     19.24639882      7.57934431    -16.15913289
  H     10.45287627      6.80603113    -14.78583851
  O     10.14228588      7.59444880    -15.26677595
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  H      9.39348922      7.32047531    -15.78903999
          69
 Energy    -248.29169519251991     
  O     12.12792405     11.90941500    -13.09548540
  H     12.28928124     11.30569705    -13.83317297
  H     14.54969881     12.30581572    -16.26442643
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  H     12.89523233     12.49087931    -13.04786868
  H     15.54616848      8.68034458    -14.19420821
  O     18.09862572      9.69573871    -11.74914244
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  H     16.03207006     10.07132003    -14.75999604
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  H     14.96220830      6.81131513    -13.37841494
  H     10.59006898     10.51008685    -10.69289225
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  H     11.58961931     10.88330491    -11.81597602
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  H     18.20240463      9.37175835    -10.84452976
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  O     15.68865404     11.09736075    -11.95671748
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  H     16.95995435      5.66187909    -10.10910866
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  H     11.39393417      8.73903317    -12.44173291
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  H     16.31882790      8.27968422     -8.74739714
  H     12.30697920      7.54881096    -12.77483143
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  H     14.86867497      8.56869139     -9.20044533
  H     20.32406131     10.48759191    -13.99847195
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  H     18.04989237      7.93950970    -12.42567748
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  H     18.57121979      7.05795973    -13.59643667
  O     11.36691293     10.20450768    -11.15255011
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  H     18.84571242      8.48540569     -8.52389744
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  H     18.15418643      7.52551419     -9.52181518
  O     11.62653688      8.12331111    -13.14781226
  H     16.29420762      8.73368424    -17.40868590
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  H     15.15216320      6.38124492     -9.25855713
  H     13.01930765     11.04101423    -17.97198661
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  H     14.70384259      4.90494581     -9.12874975
  H     13.06643272      9.71212230    -10.65454927
  O     18.20748501      8.45485029     -9.23199399
  H     16.15461913      6.88374911    -15.77152057
  H     14.55151139     10.07189153    -10.96821874
  O     13.69262979     10.87334993    -17.31715121
  H     16.49804380      6.20408708    -17.11344128
  H     14.61548105     14.36770791    -12.94805305
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  H     19.25878322      8.42019244    -15.06803706
  H     14.73155912     13.25356506    -14.01437528
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  H     18.35860339      7.42754452    -15.85319029
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  H     12.26191013      9.20317665    -14.46194302
          69
 Energy    -248.29138660634226     
  O      0.89092300     -0.44817846      4.75135196
  H      0.08308781     -0.95398415      4.95249027
  H     -1.18693326      4.43806778      2.28331973
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  H     -3.41527335      1.13200794      4.51099119
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  O     -2.54158731     -3.88136084      3.57308122
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  H     -3.31323939      1.41550645     -0.14791559
          69
 Energy    -248.29136185807835     
  O     -1.31633404      0.89707572      4.07521461
  H     -1.71533728      0.35063453      4.74707156
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  H      1.64810828      3.65457055      4.64846210
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  H     -1.59042420      2.93705200     -4.96856532
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  H      1.24527382      2.65100446      1.66508899
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  H     -5.49001956      3.73626223      1.81760019
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  H     -4.19322925      4.38338518      1.27382452
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  H     -0.22876464      4.30447519      2.44716946
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  O     -3.06746085      2.00335716     -0.07778254
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  O     -1.06297222      0.66606937      1.29623954
  H      3.34561478      1.84310462      1.69370142
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  O     -0.52481040      4.93767663      3.11981735
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  H      0.72078156      3.49786174     -1.75457665
  O      1.28583357      6.41181247      0.37655406
  H      0.47592743      0.14301892      0.49152170
  H      5.31407990      3.27591733      0.81769521
  O      0.45438610      4.16948232     -1.11840898
  H      2.65685524      4.98641067      2.92836858
  H      3.93810588      3.85220806      1.22895127
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  H      2.46693292      1.22706469     -0.85414642
          69
 Energy    -248.29127287108244     
  O     12.40629431     11.10089974    -15.69247462
  H     13.00209732     11.75762810    -15.31284820
  H     14.74946376      5.51780550    -15.27218344
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  O     17.03998860      9.61570932    -11.73108611
  H     15.79236696      6.32915751    -13.07272947
  H     17.05869524     11.28077411    -15.46704078
  O     17.72202811      9.74415965    -14.55289030
  H     14.23315610      6.39592814    -13.00697773
  H     14.67943462      8.80353478    -15.60287439
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  O     13.63884707      9.00553479     -9.12547273
  H     16.24691654     10.04035838    -12.09067852
  H     10.80799893      9.10161155    -13.96596383
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  H     17.79709103      9.83636889    -13.59851417
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  H     16.37679782      7.43553537     -9.28625418
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  H     14.80301057      9.95842200    -13.58469563
  H     15.35611468      9.29816949     -9.03669148
  O     16.24051748      6.52985547     -9.59273182
  H     14.63445418     11.48426036    -13.35587326
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  O     11.21923091      7.46811283    -14.32957191
  H     17.35576301      9.13370593    -17.57918325
  H     15.80670419     10.44451715    -19.15622084
  O     17.32138255      6.90081665    -12.19424152
  H     18.12737687      8.96159416    -16.25759718
  H     11.80067500      9.88369899    -12.20659592
  O     16.32984539      9.33454448     -9.01828088
  H     13.34185442      5.43260247     -8.83341918
  H     13.32185618     10.07142174    -12.00435774
  O     15.94511778     10.23862688    -18.23530944
  H     14.52468915      6.18885318     -9.48441390
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  O     12.52905987      9.67937981    -11.60812708
  H     17.74981971      5.48502725    -17.79545075
  H     14.44448753     13.78171199    -14.53752880
  O     14.41324411     12.83107916    -14.59614757
  H     17.43763296      6.87363498    -17.22292835
  H     13.17980110      8.36219018    -17.12534983
  O     13.69592523      9.17705272    -17.10976833
  H     15.46102235      5.58056389    -16.64303535
  H     13.17040286      9.86556893    -16.67005328
          69
 Energy    -248.29087559162951     
  O     -2.95827928      1.87592733      5.61323815
  H     -3.29579744      2.55014323      5.01028977
  H     -6.27594408      1.80296827     -1.20580110
  O     -2.02179702     -1.78414502      1.75882741
  H     -3.63452335      1.18874850      5.65591859
  H     -0.04800943      0.57349359      5.78728709
  O     -1.38673083      2.12619188     -1.91602637
  H     -1.60763720     -0.92287063      1.91743659
  H     -1.44745573      1.03135846      5.31096652
  O      0.03501010      0.26325880     -0.45410685
  H     -1.56992608     -2.15530060      0.99008523
  H     -6.94679561      3.70023862      1.85922772
  O     -4.02253269      1.07561788      0.80050021
  H     -0.85871215      1.46279191     -1.44692718
  H     -6.94993841      2.27787856      2.44034208
  O     -7.86572665      1.32458430     -0.33410305
  H     -2.07031926      1.65652493     -2.40381455
  H     -4.57377584      4.13414884      3.08719387
  O     -3.62740192      0.88164741     -3.20935009
  H     -0.15513449     -0.67070509     -0.60161850
  H     -3.26560223      3.32848036      2.89558586
  O     -5.56556489      1.20497672      3.19538349
  H     -0.02874779      0.39450387      0.50003934
  H     -5.92489457      6.02864967      1.98114833
  O     -1.76085420      4.45079053     -0.67733344
  H     -4.00155105      0.15531367      0.50706418
  H     -5.27951473      4.97032152      1.05326943
  O     -3.02035006     -1.70862795     -2.14018814
  H     -4.57507926      1.09150027      1.59205848
  H     -5.22722715     -1.49522024      0.69256264
  O     -2.11021019      2.85709716      1.59896709
  H     -8.77923514      1.33446132     -0.60767551
  H     -3.69400670     -1.80778960      0.93232167
  O     -5.36154418      2.04224401     -1.39996258
  H     -7.79174144      1.93587531      0.42119930
  H     -5.22539003     -0.87484386      5.97325138
  O     -0.69295299      0.45486497      5.09531299
  H     -3.86129308      1.07978288     -4.11317373
  H     -4.00559535     -0.89682575      5.01900231
  O     -7.43772463      2.86930022      1.85373037
  H     -4.29986467      1.30258257     -2.64937473
  H     -1.82057542     -1.07321438      4.76472273
  O     -4.01000697      3.46862532      3.50079908
  H     -5.05077326      2.01174572      3.35200550
  H     -2.39468266     -1.87735650      3.57956411
  O     -5.68117255      5.10832277      1.93079239
  H     -5.36678156      0.60757969      3.92893419
  H     -7.17959195     -0.17052540      0.72763453
  O     -4.37074291     -1.63023984      0.26394941
  H     -1.09843290      5.07602282     -0.95637234
  H     -6.49847836     -0.17687959      2.10163847
  O     -4.76425379     -0.36173370      5.31553034
  H     -1.60222086      3.62822249     -1.17961808
  H     -1.58351714     -2.21409599     -1.30628177
  O     -2.54434145     -1.65869803      4.50896968
  H     -3.19935335     -0.86917767     -2.57761946
  H     -0.40497086     -3.19942785     -1.12006471
  O     -6.75622245     -0.75122541      1.37259011
  H     -3.62056596     -1.74796397     -1.37997500
  H     -0.52495469      0.57165181      3.24167459
  O     -0.83921665     -2.44983945     -0.72281885
  H     -1.88510444      3.48230893      0.90022983
  H     -1.08243731      1.45378560      2.09676738
  O     -0.64714836      0.61036425      2.28568960
  H     -2.73448097      2.22187737      1.21062455
  H     -4.90117247      3.82133602     -0.92552576
  O     -4.58295964      4.61745370     -0.48248973
  H     -4.84903759      1.75605235     -0.62740547
  H     -3.62465613      4.63235942     -0.60002360
          69
 Energy    -248.29080607629282     
  O     15.04779758     12.03972426    -12.38445179
  H     15.86441006     11.71031451    -11.99155207
  H     12.07488104      5.35044082    -11.12053702
  O     17.20199875      9.70401869     -7.34915744
  H     14.52127776     12.35949940    -11.64268462
  H     14.67411260      7.15015914    -14.73111746
  O     17.06866705      6.35482737    -11.28405065
  H     17.95533457      9.93029089     -7.90806551
  H     13.31202030      6.49709486    -14.30214345
  O     13.70753471      4.80491492    -10.83176593
  H     16.42643121     10.09358103     -7.77536300
  H     11.55421078     10.87114748    -11.56508350
  O     18.98526327      7.27997690     -9.42488914
  H     16.74448117      5.65456689    -11.86286733
  H     10.94970198     10.52527836    -10.20896703
  O     17.23734062      7.00350688     -7.16140578
  H     16.44611943      6.39777644    -10.54304819
  H     16.22680954      8.86476544    -15.92897267
  O     17.08813263     10.70841171    -10.87989943
  H     14.23059650      5.21771290    -10.13218922
  H     16.17093194      8.75986388    -14.38755233
  O     13.53284112     12.70061558    -10.00569874
  H     14.33543684      4.57015344    -11.52418293
  H     19.25411502      9.00869867     -9.40185565
  O     10.87827204      8.34704994    -10.44773863
  H     18.49939979      7.06236109     -8.61935950
  H     20.20964040     10.21548564     -9.23651254
  O     15.07378078     10.61649618     -8.93497734
  H     18.47907012      6.89005022    -10.14898944
  H     15.92467584      6.47447173     -8.35060342
  O     14.24087789      8.14630789    -12.02420098
  H     17.18690031      7.97673020     -7.15173552
  H     14.65778937      7.04576520     -9.04773706
  O     11.17607887      5.67045498    -11.31364629
  H     17.40964125      6.72653566     -6.26572429
  H     12.40358028     10.10296202    -13.56722290
  O     14.27578505      6.39149009    -14.28594370
  H     16.38678528     10.65007822    -10.21501724
  H     12.76608045      9.10525454    -12.47691235
  O     11.34097419     11.25197295    -10.70133797
  H     17.91959740     10.57467735    -10.40820917
  H     11.38799273      6.44167996    -13.04446974
  O     15.63520375      8.70407280    -15.19759086
  H     13.28790499     13.58805859     -9.75696502
  H     11.57261522      7.83496009    -13.68578846
  O     19.28969146      9.97829614     -9.31369924
  H     12.70761154     12.22980800    -10.21602582
  H     15.87484424      3.75283959    -13.44719733
  O     15.31307953      6.33437119     -9.08397781
  H     10.87412708      7.39850564    -10.63541055
  H     15.18316478      5.13757274    -13.48924905
  O     12.00650795      9.56688707    -12.86359237
  H     11.06691318      8.76440604    -11.29794865
  H     14.32856352     10.16445227    -14.85347563
  O     11.63489151      6.88900443    -13.86429835
  H     14.48325168      9.85617651     -9.03017313
  H     14.20993443     11.32252865    -13.83949519
  O     15.66763145      4.51704575    -12.91596784
  H     14.56590452     11.39778418     -9.18755839
  H     13.82564777      8.27588535    -10.33943536
  O     13.72310395     10.83639868    -14.52363193
  H     14.13422284      7.40661925    -12.63310552
  H     12.53744768      8.39176815     -9.52151022
  O     13.49703192      8.38751460     -9.43136815
  H     15.11118585      8.51551727    -12.21666625
  H     17.03919856      9.45035973    -12.13907133
  O     16.87385740      8.71742803    -12.74892967
  H     10.58781734      4.93409576    -11.16563948
  H     17.05232875      7.89304371    -12.27427159
          69
 Energy    -248.29078921654633     
  O     16.01029599     12.70629734    -15.65689632
  H     15.50187010     12.29798039    -14.93347806
  H     19.17179780      4.53025384    -13.46522556
  O     14.95325620      5.94625261    -13.49090690
  H     15.89563231     13.64880775    -15.57145901
  H     18.68478906     10.19074586    -19.05011200
  O     19.38660392      7.61056504    -12.35648558
  H     14.35005141      6.63048715    -13.15893212
  H     17.88908189      9.04914966    -18.38405532
  O     17.43674170      7.35833436    -18.48488455
  H     15.66775127      5.86558137    -12.84648750
  H     15.69800540      8.14696512    -15.68559340
  O     14.73938357      6.39955548    -18.14228939
  H     19.84724633      7.05973741    -12.99939633
  H     15.85108401      7.10101606    -14.54733108
  O     16.54727590      8.01738596     -9.71186749
  H     18.93950570      8.32057616    -12.84494431
  H     14.96078820     11.00931235    -12.98391173
  O     13.57821602      8.11858529    -12.63381622
  H     16.52307318      7.04946102    -18.47171767
  H     13.84237456     10.96427817    -14.04662904
  O     17.89144831      9.42553764    -13.70434290
  H     17.88822840      6.85103817    -17.79794876
  H     11.77307673      9.87513472    -15.16185246
  O     17.35732831      3.41849513    -15.65171754
  H     14.76908336      5.79049922    -17.38234639
  H     13.18449211      9.34355521    -15.50352991
  O     18.30503032      6.03619965    -16.15819410
  H     14.21182822      5.97368500    -18.81281086
  H     19.68050270      5.98523691    -15.03260577
  O     14.86583338      4.72729925    -16.00539062
  H     17.49806195      8.19732274     -9.60861276
  H     21.17917313      5.73221170    -14.74521752
  O     18.40224490      4.00567339    -13.21195295
  H     16.17560672      7.96805473     -8.83492564
  H     17.89961253      6.55806227    -11.99009121
  O     18.12033368      9.99086689    -18.30749459
  H     13.12429542      8.61903079    -13.32257920
  H     16.77482964      6.54531335    -10.95462124
  O     16.34409219      7.69676753    -15.12803390
  H     14.30895488      8.67944922    -12.34091901
  H     19.42328232      8.14338515    -10.64137840
  O     14.56589590     11.50729772    -13.71048414
  H     18.18020606     10.10721785    -14.32660924
  H     19.89385355      9.12023511     -9.54962561
  O     12.63313750      9.70394667    -14.78758145
  H     17.33423620      8.81539112    -14.21149808
  H     15.61165552     11.61868645    -17.14066245
  O     20.33317882      5.85619497    -14.32293038
  H     17.66369684      3.54121806    -14.73559849
  H     16.38804604     10.68078409    -18.08658702
  O     17.12482046      6.05270624    -11.70587985
  H     17.61913850      2.53954628    -15.91230333
  H     16.56830449      9.67604303    -12.46561863
  O     19.24153345      8.45019612     -9.73758812
  H     17.61583180      6.62627897    -15.81396544
  H     16.02943768      9.23645622    -11.08026284
  O     15.49704763     10.94649841    -17.82496117
  H     17.96135699      5.13465897    -16.10816898
  H     18.40580906     10.77139353    -16.56787520
  O     15.80036443      9.72709114    -11.87788857
  H     15.64218887      4.15881222    -15.93845937
  H     17.66165390     11.79269687    -15.68487051
  O     18.42608982     11.20180289    -15.70446527
  H     14.74313516      5.09002735    -15.11695230
  H     14.35088097      8.00507316    -17.30499603
  O     14.30725025      8.77438743    -16.72481574
  H     17.91243917      4.54353716    -12.57713708
  H     14.68870455      9.53890585    -17.18549732
          69
 Energy    -248.29071930080261     
  O     11.74038087     11.06793223    -14.11897947
  H     12.08432807     10.60859292    -14.89599134
  H     18.05614140      8.89681890    -15.07569821
  O     15.73099255      6.44215038    -13.69957049
  H     12.32973330     11.81688971    -13.96680068
  H     16.45536937     12.49937773    -15.27849274
  O     17.67816689     10.62840201    -12.26285709
  H     16.66123684      6.33818389    -13.46483766
  H     15.39181506     12.11632190    -16.34211581
  O     18.09683212     12.04278426    -14.63328011
  H     15.20546331      6.34846611    -12.89395046
  H     15.23676431      8.20350198    -13.95711722
  O     12.43319535      6.84280697    -16.19130702
  H     17.91665513     10.26806578    -11.40072915
  H     15.75533428      9.25740496    -14.94427078
  O     15.49345801      8.52936063     -8.80025207
  H     16.72984527     10.81669094    -12.21565908
  H     10.24075968      9.39172630    -11.92024617
  O     14.10906957      6.50020227    -11.47788840
  H     18.71906101     11.46281543    -15.07122504
  H     11.33082283      9.93879128    -12.87149937
  O     14.93757505     10.98559309    -12.28392553
  H     18.02560220     11.69443387    -13.73208859
  H     18.34582463      6.57465344    -11.33608694
  O     16.79695446      8.99524847    -16.44664402
  H     12.32318295      6.80851003    -15.22352648
  H     17.44607890      6.33793871    -10.09119234
  O     15.75735158      5.87555309     -9.28720775
  H     11.79650840      6.23581677    -16.55852624
  H     12.73883566      6.56669337    -12.82753848
  O     15.32639685      6.64872255    -16.45634492
  H     16.29470511      8.97906014     -9.09433457
  H     11.70925993      7.67535303    -13.09252581
  O     18.58450535      8.80201422    -14.27165727
  H     14.77257222      8.84407783     -9.36239894
  H     18.60307576      7.21802694    -13.58021665
  O     15.54522352     12.66291731    -15.56446770
  H     14.60198465      6.11901452    -10.74134544
  H     19.10737635      5.75396195    -13.60761931
  O     15.11404503      9.12062966    -14.23406008
  H     13.94877565      7.42581138    -11.24201269
  H     18.74913543      9.63045940     -9.10883295
  O     11.14202211      9.25759599    -12.20127685
  H     14.51364438     11.77767286    -12.63334470
  H     18.20256358      8.47981533     -9.98679389
  O     18.23412495      6.79834774    -10.40363419
  H     14.96364485     10.33776023    -13.00904671
  H     14.21610521     10.37740641    -17.19440437
  O     12.11950827      6.89685143    -13.48909714
  H     16.33999185      9.63939750    -16.99923062
  H     14.66551701     10.97865861    -18.54689761
  O     18.48984486      6.33847181    -13.17601635
  H     16.34059648      8.14583998    -16.56854377
  H     12.66916096      9.20485265    -11.11401598
  O     18.08105199      9.41889366     -9.75615036
  H     15.65615335      5.34402642     -8.50228010
  H     14.06748961      9.84943221    -11.21677708
  O     14.95914142     10.80073156    -17.65705226
  H     15.65077544      6.80599312     -9.01387790
  H     14.35013527     12.97849521    -14.38608303
  O     13.56497863      9.15994578    -10.75807473
  H     14.36551365      6.67499234    -16.52350496
  H     13.60896917     14.01750788    -13.50957716
  O     13.69352111     13.08228564    -13.67198225
  H     15.49821874      6.41477539    -15.53240341
  H     13.73284802      9.40750221    -15.36106297
  O     13.08544778      9.54430331    -16.07096613
  H     18.23289436      9.41925260    -13.61568010
  H     12.73369530      8.66662361    -16.26592906
          69
 Energy    -248.29040533625505     
  O     -7.36211116     -0.45026557     -6.52745329
  H     -6.64659345     -0.54651317     -7.16608388
  H     -2.30862677     -3.96320638     -6.84578694
  O     -3.47784387     -2.39934021     -2.23929040
  H     -8.02229409     -1.10962701     -6.77278216
  H     -4.79311373     -2.73398123     -5.83352704
  O     -7.02297327      0.10573233     -3.84838231
  H     -4.26023659     -2.90013452     -1.97266553
  H     -6.05912685     -3.14276958     -5.03417842
  O     -8.48209878     -6.01401043     -4.12410258
  H     -3.78826319     -1.57879292     -2.63839192
  H     -3.66028880     -5.85851378     -7.41207638
  O     -9.12057555     -2.58875068     -7.31053394
  H     -6.06869902      0.18771001     -3.72563048
  H     -2.56613933     -5.82044724     -8.49949423
  O     -8.20282174     -5.22217705     -1.33411937
  H     -7.18332981      0.01573307     -4.80190183
  H     -7.78189912     -6.71777785     -5.54076126
  O     -8.96163551     -0.39955177     -1.87127448
  H     -8.31981486     -5.91582054     -3.18075662
  H     -7.95358556     -7.81268381     -6.61750851
  O     -4.21226960     -0.01673717     -3.67511111
  H     -8.96671542     -5.21697429     -4.38245835
  H     -3.39613218     -5.10227041     -3.84209758
  O     -5.18206003     -0.86750501     -8.40272125
  H     -9.66498563     -2.57501581     -8.09372387
  H     -4.67879283     -4.75512144     -4.63401610
  O     -7.11742797     -2.65313487     -3.76463960
  H     -8.45153939     -3.28178709     -7.44566097
  H     -4.11185527     -0.98985756     -6.91026117
  O     -5.05864327     -3.48859771     -9.10021688
  H     -8.55591035     -5.71847598     -0.60054794
  H     -2.98449388     -1.83637294     -6.21106806
  O     -1.95526126     -3.24414124     -6.30717619
  H     -8.79097056     -4.45497872     -1.45771863
  H     -5.54413626     -7.03629675     -6.40878974
  O     -5.39986626     -3.46329368     -5.66930235
  H     -9.37389132      0.39687068     -1.54403003
  H     -4.43875367     -6.56532109     -5.45124697
  O     -3.12338997     -5.26215743     -7.96246013
  H     -8.32381207     -0.10794000     -2.53951827
  H     -8.71724470     -3.18259354     -4.30677617
  O     -7.44340497     -7.03811215     -6.39674079
  H     -3.60473271      0.70945345     -3.55502088
  H     -9.62001802     -3.16573737     -5.55476905
  O     -4.30067829     -5.39611799     -4.01007046
  H     -4.01117364     -0.40842807     -4.54388611
  H     -2.36435837     -3.43566703     -3.08645724
  O     -3.70167440     -1.19934656     -6.06210066
  H     -5.05884245     -0.32427736     -9.17671949
  H     -1.08124742     -4.29918292     -3.04906262
  O     -4.59191560     -6.89708669     -6.34656236
  H     -5.13136437     -1.79322715     -8.70052069
  H     -6.48917493     -4.13557852     -6.89335384
  O     -9.57010858     -3.49711655     -4.65249046
  H     -7.07016798     -1.69260631     -3.68324802
  H     -7.31494787     -5.39345628     -7.25926135
  O     -1.84186626     -4.09051551     -3.58469914
  H     -6.66684303     -3.06142010     -3.01461249
  H     -6.48734346     -4.58107373     -1.58801610
  O     -7.14796875     -4.48001788     -7.51917982
  H     -5.86437690     -3.89477168     -8.75384427
  H     -5.26990485     -4.72835556     -2.55302607
  O     -5.69026238     -4.13938046     -1.90901773
  H     -4.33797902     -4.04667206     -8.78208369
  H    -10.01829579     -3.22565935     -2.80147458
  O     -9.82335993     -3.10092349     -1.86365400
  H     -1.83470448     -3.59051146     -5.41384609
  H     -9.53043367     -2.18272536     -1.78268701
          69
 Energy    -248.29039056447448     
  O     16.07112504      3.52976320    -14.83487400
  H     15.89795824      3.04343802    -14.01981312
  H     18.31013246      6.30408479    -12.87438889
  O     19.42424585      8.73286550    -11.86960772
  H     15.53950390      4.33455253    -14.77166351
  H     15.01299614      8.71247520    -15.78405188
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  H     19.33354922      8.07216562    -12.56594120
  H     14.16986058      9.99968000    -15.86297777
  O     16.54407281      8.08730032    -14.79445120
  H     19.27241376      8.27544810    -11.03287302
  H     12.93741540      8.02291764    -15.22009920
  O     18.74186489      4.07391466    -14.95033854
  H     13.09114675     11.94218216     -9.87914749
  H     11.65035882      7.16661023    -15.30158489
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  H     13.77911250     11.70309728    -11.23177690
  H     16.34337137      9.59588424    -12.15586791
  O     18.64945525      7.45204856     -9.41967209
  H     17.34588789      7.60573626    -14.54714979
  H     15.27932625      8.51549747    -11.70525547
  O     14.30713559      7.56625178    -10.47329396
  H     16.16837978      8.43775374    -13.96730066
  H     16.79738598      2.57271387    -12.14994287
  O     17.05451379     10.99905785    -14.73912847
  H     19.13486824      3.68560796    -15.72737539
  H     15.65662083      1.57320460    -11.84300385
  O     16.33939377      8.73426732     -8.93799078
  H     17.78901175      3.87540515    -14.98994321
  H     16.75496996     12.18693554     -8.90454175
  O     14.74904126      5.93982078    -14.27396125
  H     12.52011071      9.41325608    -12.32523660
  H     15.57767062     11.74686399     -9.80469895
  O     18.63431277      6.62664179    -13.72939754
  H     12.22190562      8.04685818    -12.94306838
  H     16.83735408      5.51646981    -11.30653771
  O     14.12919529      9.04388228    -15.98734481
  H     19.13505755      7.34403805     -8.60673682
  H     18.05702202      6.17403908    -10.56677647
  O     12.39151781      7.37494653    -14.73868516
  H     17.82432431      7.92091114     -9.19883792
  H     13.77313643     11.33528042    -13.67326080
  O     15.61177115      9.03458777    -12.44694463
  H     14.47716559      6.65169050    -10.73515501
  H     14.30677119     10.23224856    -12.73829980
  O     15.83111726      2.45054050    -12.17236745
  H     13.50105347      7.85198284    -10.92974321
  H     17.42997062     11.14256209    -11.13500745
  O     16.48726069     11.52626200     -9.53845491
  H     17.11658208     10.06008759    -14.94284315
  H     18.39061621     10.16436373    -11.91286662
  O     17.79975807      5.60096518    -11.29901333
  H     17.33372636     11.08456809    -13.81619198
  H     14.51869607     12.57360963    -15.88653220
  O     13.61450750     10.90693388    -12.82479742
  H     16.32319785      9.68540037     -9.09526827
  H     15.46202523     11.60034900    -15.13977835
  O     17.68033275     10.81962461    -12.00777801
  H     15.54360620      8.35821267     -9.33811214
  H     15.19319736      4.17308999    -11.68689294
  O     14.52765670     11.79440911    -15.33775868
  H     13.87563584      6.31901842    -14.43390180
  H     14.92254092      5.43475001    -12.53760353
  O     15.06823307      5.12859172    -11.62985266
  H     15.39467487      6.61571871    -14.51446857
  H     18.74036631      3.29446357    -13.15147832
  O     18.48146372      3.07591013    -12.24839112
  H     18.81830210      5.83250564    -14.24578326
  H     18.38421936      3.92889641    -11.79972534
          69
 Energy    -248.29037697883030     
  O     13.22498229     12.02152057    -16.20557766
  H     13.60251960     11.29672836    -16.73157585
  H     12.89699403     12.98152150    -19.40363331
  O     13.33661307     10.72895444    -13.67942082
  H     13.96224347     12.55860917    -15.87260520
  H     17.15065259      8.98329920    -18.39764924
  O     10.69508736     10.79202483    -16.23638408
  H     13.26028159     11.14811154    -14.54764072
  H     16.40449187      7.83047603    -19.10727234
  O     11.13480658      8.00792043    -16.67511086
  H     14.12294161     11.10736068    -13.26417455
  H     14.05255362      9.97112328    -18.55049643
  O     16.91969899     10.02357448    -16.84498447
  H     11.50211530     11.32148144    -16.28850770
  H     14.01115132      9.06710959    -17.27342466
  O     13.74885304      7.41648386    -16.51620196
  H     10.43638201     10.79771184    -15.30513913
  H     11.12226462     11.54494087    -20.00419459
  O     15.43391026     13.23157966    -15.21352780
  H     10.96512737      8.93722026    -16.47533346
  H     11.26304867     12.44227293    -21.25855953
  O     13.71371420     10.03634200    -20.34951269
  H     10.76593924      7.85032016    -17.55335259
  H     16.01888872      8.82419756    -14.02667915
  O     14.23170399      8.10104963    -13.84293426
  H     17.24851326     10.93106883    -16.88439453
  H     16.88910513      9.57553098    -15.06305687
  O     16.36824132     10.53405949    -21.00121817
  H     15.99027285     10.05336476    -17.11782880
  H     14.65469356      6.73179460    -17.86723924
  O     12.86432649      7.41357440    -20.20894979
  H     13.99144533      7.55369376    -15.59355314
  H     15.38332922      5.55977782    -18.56233788
  O     13.56556642     13.33665390    -18.80490099
  H     12.78514862      7.52894918    -16.57459171
  H     16.29501882     12.10885462    -19.91906444
  O     17.01318880      8.56346758    -19.25760243
  H     15.66870788     12.81111814    -14.37770686
  H     15.31058346     13.06193433    -19.18055430
  O     14.24390191      9.94381069    -17.60415940
  H     16.20203270     13.13931409    -15.79172644
  H      9.73182342      7.17446300    -19.82160001
  O     11.76125801     12.02867862    -20.55937433
  H     14.57931527     10.27582312    -20.70496286
  H     11.21655851      7.59326495    -19.69950675
  O     16.75282871      9.44336668    -14.11406401
  H     13.09324145     10.75449888    -20.52593853
  H     17.12953197     12.83859050    -17.85291071
  O     15.11469135      6.46754301    -18.68261477
  H     13.86299028      7.59238201    -13.12425074
  H     18.40788173     13.23023975    -17.07084747
  O     16.24708361     12.84333077    -19.29816591
  H     13.83705464      8.98667211    -13.78677826
  H     11.49455598     10.77243410    -13.36901470
  O     10.31848152      7.77310522    -19.36781989
  H     16.89755050     10.47098649    -21.79144245
  H     10.23614561     11.44403337    -12.79998144
  O     17.58851665     12.74974500    -16.99578899
  H     16.65240328      9.81106227    -20.41252845
  H     16.35288434     11.84915878    -12.07017969
  O     10.52952518     10.80896750    -13.44983001
  H     13.15402863      8.32465610    -20.36544416
  H     16.27109183     10.88691119    -13.28200605
  O     15.85606808     11.66248280    -12.86156388
  H     13.60934036      6.97626987    -19.78362991
  H     10.18907457     10.70436077    -18.03537716
  O     10.11911838     10.59393819    -18.99260338
  H     13.31211573     13.05140150    -17.92136371
  H     10.12115925      9.64342922    -19.16045548
          69
 Energy    -248.29037249129073     
  O     -9.10569820      0.92222040      6.32686912
  H     -9.37529175      1.71037809      6.81348905
  H     -4.56784406      0.69411969      0.30224934
  O     -5.02924708      2.10047170      5.06371193
  H     -8.56821485      1.23205871      5.58007933
  H    -10.35323297      0.31307285      5.19562803
  O     -6.60559584     -1.94660330      4.52285175
  H     -5.94529816      1.91460645      4.79930762
  H    -10.36089918     -0.51597099      3.89573303
  O     -7.10019465      3.54346410      7.96957631
  H     -4.96799444      1.88765511      6.00428453
  H    -12.73262302      4.39769025      6.26559166
  O    -13.18566980      1.22862810      5.62491756
  H     -6.44338484     -2.87027608      4.69912540
  H    -11.75364598      4.97424127      5.22604143
  O     -7.64182773      1.81431445      4.17240772
  H     -6.69486461     -1.51127017      5.38965898
  H    -14.55969227      3.50841478      3.20610681
  O     -5.29083248      1.55033877      7.79272045
  H     -6.82696031      4.10879757      7.23269133
  H    -13.45718071      3.89044856      4.22609169
  O     -9.85958606      3.39024518      7.36538166
  H     -8.06353702      3.51661042      7.93767115
  H     -8.34738896      1.62070430      1.24975233
  O    -12.63795053      3.02269574      7.59821389
  H    -12.49069518      0.68075450      5.23593443
  H     -6.98077893      0.87307946      1.22558516
  O     -5.13711705      3.43303513      2.49502250
  H    -13.52750520      1.77252910      4.90566939
  H     -8.65264458     -0.67953609      2.35941567
  O    -11.11573711      2.45563443      3.03277128
  H     -7.70841449      2.74362594      3.92153883
  H     -8.21500626     -1.57676911      3.53046483
  O     -5.15916534      1.00663492      0.98127218
  H     -7.71434873      1.31033026      3.35199673
  H    -10.35590938      3.67949445      4.20709635
  O    -10.90192743      0.08159118      4.43138622
  H     -4.70436719      1.58756661      8.54328310
  H     -9.17856113      4.67381872      4.26694488
  O    -12.69220895      4.89649961      5.43894854
  H     -5.96877530      2.23732564      7.93267969
  H     -8.19590856      4.18099052      2.32267138
  O    -13.74178586      3.20768471      3.59160310
  H     -9.83570769      3.80301568      6.49003339
  H     -6.71955072      4.19832841      2.78700872
  O     -7.89310326      0.82091497      1.53986746
  H    -10.79176717      3.28574194      7.59250525
  H     -7.74088256     -0.19317959      6.81985730
  O     -8.98635443     -1.29879064      3.02200296
  H    -13.20742722      2.87664591      8.34880334
  H     -6.28186678      0.00631796      7.26072123
  O     -9.96885260      4.39165288      4.73736816
  H    -12.83174281      2.31648130      6.95611284
  H     -5.34492652     -0.83894138      3.71609822
  O     -7.62159602      4.44283853      3.05423402
  H     -4.84008438      3.05402880      3.33096669
  H     -4.64189953      0.50181425      4.02452434
  O     -6.88313586     -0.63872599      6.87196963
  H     -5.10322576      2.70623800      1.86052481
  H     -9.77025955      3.57326341      0.35958187
  O     -4.72870569     -0.18754744      3.35601534
  H    -11.00844589      1.59827208      3.46992773
  H    -10.03034611      2.95009676      1.75456325
  O     -9.33358043      3.24445337      1.14119662
  H    -12.04876454      2.69731586      3.09540652
  H     -5.62557480      3.98075242      5.43758046
  O     -6.18317345      4.74612916      5.62280679
  H     -4.94505908      0.51162207      1.79432733
  H     -6.64060390      4.93144243      4.79756764
          69
 Energy    -248.29024097867159     
  O     16.64436928     10.40994308    -14.78654276
  H     16.50992271     11.00841495    -15.54233988
  H     17.28521261     12.27338059    -17.24200560
  O     17.79688008     17.20301243    -16.95673540
  H     16.09798487      9.64441165    -14.94525136
  H     18.49989411     12.02242828    -10.73128921
  O     21.00447466     11.30420650    -16.00034399
  H     17.53270144     18.01998093    -17.37319547
  H     18.08672512     13.48337087    -10.44572251
  O     19.08972399     15.20179600    -10.63970749
  H     18.23262261     17.44635823    -16.12245790
  H     20.78416583     18.35970189    -11.95080495
  O     15.11893281     15.08729241    -13.49438360
  H     21.58079257     10.85076413    -16.60948518
  H     21.77453734     18.30984884    -13.12770680
  O     20.00860824     10.99153579    -11.23766982
  H     20.35510908     11.79498492    -16.53442142
  H     20.88637768     12.64797653    -11.30349093
  O     16.37045644     12.58386909    -13.00399639
  H     18.55000206     15.49865933    -11.38768781
  H     21.20370023     13.54909373    -12.51180972
  O     19.10839959     12.89288215    -17.11059343
  H     19.79984031     14.63954774    -10.98431856
  H     20.54089684     15.64446463    -17.05978055
  O     21.28533613     16.04057776    -15.34497758
  H     15.23994494     15.13343053    -14.45121629
  H     19.17789562     16.03240238    -17.65069953
  O     20.63105496     17.45678777    -10.25154121
  H     15.35964719     14.18152844    -13.25269089
  H     24.14429560     17.39824613    -13.71176876
  O     21.07120886     13.52455948    -14.26125076
  H     20.26097195     10.17512279    -10.81455753
  H     23.13098854     16.63124938    -12.82815629
  O     16.40209873     12.17514024    -16.86296369
  H     19.77585099     10.77119442    -12.15717426
  H     18.50681596     17.14017227    -13.93371028
  O     17.73659855     12.60716505    -10.64283083
  H     16.76570104     12.50108550    -12.12220716
  H     19.68086109     18.14671557    -14.00740836
  O     20.93045807     18.68423185    -12.84819439
  H     16.33610017     11.71855652    -13.42563828
  H     22.33598986     14.98805506    -11.30917050
  O     21.16039280     13.54104030    -11.54325732
  H     19.40907739     13.72573781    -17.50452642
  H     22.13855681     16.44191707    -10.84150467
  O     19.91475645     15.41899510    -17.76025948
  H     18.74271323     13.13879441    -16.24916873
  H     19.91606090     10.62475131    -14.56579471
  O     23.23065136     17.13162558    -13.65819529
  H     22.03864441     16.42260175    -14.87569365
  H     18.43965164     10.37387818    -14.17268845
  O     19.07578097     17.62087606    -14.55122359
  H     20.50895749     16.55240715    -15.07785667
  H     17.73486738     13.26299674    -13.95634463
  O     22.74845461     15.86152561    -11.31438223
  H     20.47810626     17.87374163     -9.40722511
  H     19.24830358     13.59958643    -14.29004256
  O     19.33432663     10.44579569    -13.81828933
  H     20.02300139     16.70073463    -10.30199535
  H     16.97061443     14.57915228    -15.55831819
  O     18.32800421     13.78831139    -14.51488001
  H     21.24653110     12.79797206    -14.86995999
  H     16.64458152     15.72661346    -16.51880520
  O     16.26814182     14.93193081    -16.12249563
  H     21.21374926     14.36686159    -14.71794743
  H     16.68956051     15.84534293    -12.94568787
  O     17.65063646     15.94771687    -12.88991028
  H     16.09500932     13.07952196    -16.72047102
  H     18.00452621     15.23333965    -13.43807162
          69
 Energy    -248.29015180925549     
  O     17.89668316     14.31384125    -16.18732450
  H     18.74958605     14.22582062    -16.63130371
  H     17.64208513     10.84483249    -15.95822173
  O     22.74529841     10.52798261    -15.34075314
  H     18.06473040     14.79953472    -15.37025122
  H     19.02618725      9.95980557     -8.50534481
  O     19.36082559     13.23346007     -9.87206514
  H     23.01638776      9.77453662    -14.82166667
  H     19.59918460     10.30420445     -9.90196903
  O     15.36612575     12.26320992    -11.85872178
  H     22.61726595     11.25281507    -14.70755047
  H     19.74565271     16.85624175    -11.04862366
  O     20.82124264     10.24050761    -11.13805654
  H     18.83318919     13.31523528    -10.68084669
  H     19.22677294     18.21404052    -11.57883797
  O     16.85725481      9.91069925    -11.23753657
  H     19.14432709     12.37091567     -9.50023998
  H     21.07750004     12.98245009    -10.53588217
  O     20.58398704     11.24503375    -16.93413608
  H     15.16127068     11.87524407    -12.72903223
  H     22.46203518     13.64942808    -10.68538312
  O     21.21765634     14.94847884    -14.80348797
  H     14.55489807     12.62972863    -11.51872208
  H     16.53436043      7.88148645    -13.63412222
  O     20.28763639     15.88083826     -9.70534327
  H     21.43162058     10.97500320    -10.99503297
  H     16.87057058      9.14923947    -12.81755469
  O     22.03292287     12.58296298    -13.64056461
  H     20.33458164     10.46575006    -11.94410118
  H     20.80202747     14.10205277    -18.17999813
  O     15.03547825     11.04438804    -14.23792026
  H     17.50452882     10.07998064    -10.54380379
  H     20.53173115     12.94111670    -17.19372351
  O     18.29149352     10.21523203    -15.61592043
  H     16.30869913     10.70284144    -11.29477661
  H     21.33346223     17.01170211    -12.51925003
  O     18.86703554     10.48602306     -9.28450941
  H     21.36595071     10.91825290    -16.46668889
  H     22.01209462     16.09348660    -13.55116737
  O     19.55175940     17.36240853    -11.85808037
  H     19.82760028     10.76767830    -16.57386269
  H     18.88838347     16.16784505    -13.12397814
  O     21.97327215     12.83833255    -10.87296475
  H     20.33836459     15.10861946    -14.42883518
  H     18.40217715     14.69294303    -13.17724039
  O     16.75573080      8.80495322    -13.72134139
  H     21.08004383     14.66850326    -15.71684157
  H     22.80239501     15.83997785    -11.32258720
  O     20.48296702     13.90865464    -17.30290096
  H     21.23860317     15.74944314     -9.80451373
  H     23.84417966     15.78435925    -10.17982523
  O     22.18127860     16.61546840    -12.75587388
  H     19.90330351     14.99811402     -9.61917412
  H     20.38465517     11.77596825    -13.62131824
  O     18.69984771     15.43585522    -13.72353905
  H     22.08997236     12.70647811    -12.68394303
  H     19.18026906     10.96355352    -14.19707365
  O     23.02174422     15.40609181    -10.47811081
  H     21.82648402     13.43889800    -14.03988960
  H     16.00194191     12.15939267    -17.34222073
  O     19.54665184     11.35033554    -13.39332985
  H     15.50427167     10.20655733    -14.13685815
  H     16.89057416     12.93286372    -16.34175046
  O     16.38518542     12.11025312    -16.47027127
  H     15.41594099     11.47254482    -15.01583501
  H     17.03588616     12.96981269    -12.11837055
  O     17.94962829     13.25571171    -12.23614956
  H     17.81217620      9.61394671    -15.03082727
  H     18.44550518     12.53187103    -12.64963035
          69
 Ord_Energy   -248.290085    
 O   -3.76712513       3.47507071      0.753016710    
 H   -3.79666328       4.38647842      0.413135350    
 H   -3.43339252       3.53655052       1.65596199    
 O   -6.69239855       6.98726416       3.17086744    
 H   -6.21006441       6.17606449       3.38842535    
 H   -7.23550034       6.77682257       2.40199256    
 O   0.419439256       4.90467644       5.18075514    
 H   0.278808147       4.70569849       4.23891306    
 H    1.14034081       4.35207176       5.47187901    
 O   -2.28496313       5.45764208       5.78783894    
 H   -2.33037806       6.34252071       5.38949442    
 H   -1.35373604       5.20583582       5.78230143    
 O   -5.46042681       4.61377478       3.91791463    
 H   -4.55751610       4.44990015       3.61218381    
 H   -5.40632915       4.72839642       4.87415552    
 O   0.483786821       7.67632103       4.25465441    
 H  -0.435634673       7.90450716       4.45075035    
 H   0.630314708       6.82751513       4.68662500    
 O   -5.05766487       9.05803490       2.27881312    
 H   -4.82659578       9.54317379       3.07889152    
 H   -5.62862730       8.33222485       2.57562590    
 O   -3.69687104       6.00778294     -0.202954426    
 H   -4.40782976       6.63305902     -0.400799572    
 H   -3.08056712       5.95281696     -0.947524846    
 O   -6.53055811       3.79116964       1.42299306    
 H   -5.68326283       3.54047966       1.03539336    
 H   -6.33993626       3.92460299       2.36076570    
 O   -2.77337861       4.13337135       3.33004451    
 H   -1.89990342       4.25391340       2.93159461    
 H   -2.67599559       4.48762655       4.22319269    
 O   -5.76238298       7.81653166     -0.283704966    
 H   -5.59123802       8.43933868      0.431960881    
 H   -6.52234364       7.28787947      -6.72241999E-03
 O   -2.32953334       7.87713194       4.52008915    
 H   -2.92523813       8.60180378       4.74359703    
 H   -2.46590447       7.68393183       3.58048153    
 O   -6.00513983       7.85108042       5.75891018    
 H   -6.42614365       7.59913254       4.92506933    
 H   -5.66347885       7.03551006       6.14277363    
 O   -4.32150364       9.81716633       4.95636034    
 H   -4.41191196       10.6108656       5.47639227    
 H   -4.94799137       9.16581440       5.32133675    
 O   -1.91837740       2.70106888      -1.14488566    
 H   -2.19550586       1.92232299      -1.62101686    
 H   -2.60050130       2.87527466     -0.475264251    
 O   0.765371323       6.15575457     -0.821983278    
 H    1.48773766       6.63601780      -1.21922612    
 H   0.543889761       6.62023592       2.31310003E-03
 O   -2.74085593       7.61182117       1.80078018    
 H   -3.48443937       8.22184944       1.89676666    
 H   -3.01927567       6.96013069       1.14247596    
 O   0.506486475       3.46069431      0.145463035    
 H   0.706191003       4.30483913     -0.279991806    
 H  -0.262060434       3.10395455     -0.317700028    
 O  -0.177155927       4.61298132       2.51110697    
 H   0.105781890       4.07252836       1.75957322    
 H  -0.146817967       5.53191757       2.21487284    
 O   -4.90012217       5.31077385       6.60762787    
 H   -5.01789904       4.87063980       7.44587421    
 H   -3.94372678       5.33588266       6.43513536    
 O   -1.22391703E-02   7.26989460       1.57358456    
 H   0.327120364       7.52794790       2.44289327    
 H  -0.951278150       7.50573349       1.55917203    
 O   -7.81315136       6.10115719      0.748522937    
 H   -8.68180943       5.91931725      0.400252610    
 H   -7.38507509       5.23966885      0.900028944    
 O   -1.73886359       5.44849634      -2.02621245    
 H   -1.75810933       4.49337387      -1.88608718    
 H  -0.877262115       5.74500227      -1.70770967    
          69
 Energy    -248.29002583162077     
  O     15.65076843     11.30672723    -10.67729661
  H     16.40383090     11.11982912    -11.25242639
  H     18.05029764      3.66559161    -14.82187902
  O     14.78906470      7.49981428    -15.29643586
  H     15.70164136     10.67212676     -9.95258850
  H     18.59249539      7.90242905    -10.22877096
  O     14.52463575      4.99700850    -11.55080865
  H     14.75617067      6.56051255    -15.07614225
  H     18.24583276      9.31496051    -10.75872224
  O     19.12577219      6.26790454    -10.99528214
  H     13.90802959      7.86623208    -15.13157600
  H     16.94746957      7.52332927    -13.03786051
  O     10.61167099      6.70088305    -12.03753704
  H     13.62079621      4.66282524    -11.49111296
  H     15.61435932      7.93322008    -13.71109583
  O     12.36649329      8.62222478    -14.60943483
  H     14.51877317      5.88114654    -11.15751814
  H     14.11353898     11.50499270    -11.43958949
  O     14.58252991      7.62232965    -10.66965294
  H     19.06193262      6.52730563    -11.93094303
  H     12.86269904     12.38709010    -11.66348138
  O     18.78918576      9.43272046    -14.88442734
  H     20.02274105      5.97293657    -10.85309199
  H     11.93693144      4.20607650    -13.53478958
  O     10.47541241      6.56558187    -14.90591501
  H     10.40910453      6.71761294    -12.98107443
  H     13.01214618      4.48168398    -14.59895815
  O     18.63830230      6.94479588    -13.59803225
  H     11.11880985      7.50429350    -11.85986078
  H     13.37743811     10.27463043    -14.79486451
  O     16.28352799      9.79551876    -15.76122702
  H     11.66343040      7.99902240    -14.82875333
  H     13.82607488     11.27065995    -13.72536001
  O     17.63669298      4.44138207    -14.45243371
  H     12.37668192      8.69366401    -13.64384338
  H     17.77552118      4.87948769    -11.31464745
  O     18.30381534      8.78091570     -9.95499407
  H     15.15486534      7.78390136    -11.43824918
  H     16.30588100      4.43682087    -11.56680685
  O     16.10792466      7.97239753    -12.88142412
  H     14.97048208      8.09567617     -9.92458878
  H     15.74909116      4.66133087    -14.52902203
  O     13.25271451     11.54773924    -11.89276434
  H     19.39820561      9.86079190    -15.47931701
  H     14.74168877      4.97427815    -13.39445584
  O     12.05801485      4.39794580    -14.47319821
  H     17.89358624      9.59761055    -15.23642771
  H     11.25155810      3.75469055    -11.06532132
  O     14.02487674     10.96904186    -14.61858530
  H     11.03551622      5.77139028    -14.83928389
  H     11.36126138      5.16827329    -11.68529131
  O     17.22758832      4.24071293    -11.78459006
  H      9.77659057      6.35946989    -15.52045818
  H     12.57533175      9.82286977    -11.78718454
  O     14.82906185      4.89038870    -14.35555844
  H     18.36398845      6.18955319    -14.13340506
  H     13.10955358      8.42849446    -11.36798658
  O     11.80569804      4.30393438    -11.61308622
  H     18.75772042      7.72633590    -14.15444156
  H     15.99638068      9.25588319     -7.81195448
  O     12.38159884      8.87729716    -11.82027670
  H     15.60879510     10.37658070    -15.38231951
  H     16.82445489      9.01447407     -9.09915374
  O     15.92651885      9.18583354     -8.75982872
  H     15.84612632      8.93636709    -15.83171867
  H     18.21498128     10.19378115    -13.11354817
  O     17.66363391     10.19583458    -12.32550696
  H     17.53141980      4.27930536    -13.49556434
  H     16.98199095      9.53036991    -12.50968359
          69
 Energy    -248.28985188124113     
  O     -0.54283420     -1.76460986      5.56465292
  H     -0.25955872     -0.84454755      5.71482356
  H     -0.38056752      4.64088340      1.70000695
  O      2.18285943     -1.49303180     -1.90143746
  H     -0.34702691     -2.24685896      6.36434942
  H     -2.94896538      0.33862500      5.47411288
  O      0.20085098      0.15743038     -0.72823578
  H      1.70525647     -2.33216650     -1.93163304
  H     -2.32559049     -1.06463807      5.23905035
  O      0.68270157     -3.89355440     -1.47035144
  H      1.52132914     -0.82489182     -1.67705654
  H      0.94470254      0.99513402      2.63057566
  O      1.91639596     -3.82944402      0.96379386
  H      0.60770207      0.01565683      0.13877186
  H      0.16523144      2.36086928      2.70002742
  O     -2.92783726      3.31160134      3.67141146
  H     -0.21086599      1.02705231     -0.72376174
  H     -2.08014088      2.17140467     -0.33485330
  O     -4.79503718     -2.09825186      1.42174963
  H      0.71625705     -4.77285212     -1.83754824
  H     -1.50623298      2.94125278     -1.55251105
  O      0.02501862      0.87109514      5.84642940
  H      1.08023706     -3.94502138     -0.58296951
  H     -2.44687157     -0.04738347      3.33877688
  O      3.68684170     -1.63271184      0.35620671
  H      1.43468020     -3.54371770      1.75086018
  H     -1.14959231      0.59945761      2.79019028
  O     -5.22091572      2.31918064      2.30003734
  H      2.63413876     -3.19509433      0.84774938
  H     -0.81581386     -2.76975482     -1.34444534
  O     -5.30954422     -0.15836832      3.30682550
  H     -2.23914498      3.46433636      3.01680855
  H     -0.92014037     -1.26037894     -1.03149540
  O     -0.70292770      3.74637555      1.78792683
  H     -3.71625183      3.03006451      3.18897308
  H     -0.44112753     -2.67493464      2.50352843
  O     -3.07773575     -0.50337955      5.01545409
  H     -3.92330339     -2.46820655      1.60005698
  H      0.14914838     -2.35497222      3.89770319
  O      0.39795858      1.56472796      3.19148401
  H     -4.73435591     -1.76324407      0.51628393
  H     -2.67281643      2.55095513      5.21814958
  O     -1.28364817      2.61243014     -0.68510305
  H     -0.78395349      1.35352627      6.05665813
  H     -2.98556898      2.57542922      6.73247541
  O     -1.94770337      0.12565748      2.52934599
  H      0.27839014      1.17188008      4.96158111
  H      1.13997742     -1.13188227      2.14153672
  O     -1.44342074     -2.06872800     -1.12927476
  H      3.25244870     -1.56895345     -0.51374340
  H      2.37741828     -0.71512052      1.30051112
  O      0.39213401     -2.56270932      2.98852304
  H      4.62503348     -1.56259173      0.20501287
  H     -1.81507386     -2.44392806      0.62960034
  O     -2.55376880      2.06438339      6.05327682
  H     -5.30205133      1.42531479      2.68513642
  H     -1.97282632     -1.56292549      1.89091912
  O      1.54527692     -0.39116594      1.66632570
  H     -6.10308084      2.67483791      2.24459472
  H     -3.86758657     -0.12181316     -0.61497977
  O     -1.94187117     -2.48325667      1.58723640
  H     -4.69782151     -0.38186284      4.01729900
  H     -3.24354919     -1.38951513     -1.22648250
  O     -4.08782243     -0.95338415     -1.05295776
  H     -5.22870520     -0.86423951      2.64652480
  H     -2.85170379      0.86127301      1.18528442
  O     -3.33112376      1.35129383      0.49885179
  H     -0.87265729      3.42068101      0.89058368
  H     -4.08196898      1.75621884      0.94941310
          69
 Energy    -248.28966021690837     
  O     13.68646921     12.13400368    -17.04345639
  H     14.27039113     11.64643283    -17.63734068
  H     16.39325393     10.37195801    -17.04794580
  O     16.76222697      5.28064000    -13.34252358
  H     14.21920846     12.34818795    -16.26675155
  H     15.33283487      8.17173848    -13.90727943
  O     13.87689052      5.01186630    -13.89851133
  H     16.89936731      5.75662460    -12.50882549
  H     14.57279047      7.83448053    -12.57461846
  O     15.18790684      9.79557320     -9.86532723
  H     15.81606038      5.16299851    -13.46647963
  H     12.18352563     11.23885902    -17.00716681
  O     13.54971876      6.58956588    -11.62524005
  H     13.59881188      5.64563354    -14.58071050
  H     10.70408368     11.12329982    -17.44562658
  O     13.51949475     10.78928747    -13.25754609
  H     13.55688277      4.15650540    -14.17499272
  H     17.45742791      7.73923093    -11.28620237
  O     13.17228213      8.64233721    -18.10796238
  H     15.16003844      8.87025506     -9.58633809
  H     16.60011553      6.82647432    -10.39351803
  O     15.01098817      7.01521741     -9.37365846
  H     15.98840835      9.89163253    -10.39121428
  H     11.40343625      8.57956063    -12.87868011
  O     15.84864061      7.80287671    -15.61878642
  H     12.74098374      7.11892865    -11.71553437
  H     11.77367306      9.11351245    -11.47193093
  O     13.24821358      6.98943796    -15.71632556
  H     13.56834212      5.93518684    -12.33372257
  H     18.09904827     12.71767921    -12.61372262
  O     18.64736246      9.25556459    -14.27431020
  H     14.08294649     10.00001615    -13.19921120
  H     17.23231664     11.47787924    -12.37286045
  O     16.74417298     10.34942894    -16.14809660
  H     13.17739789     10.93548535    -12.36759756
  H     18.89959967      5.93733911    -15.58218708
  O     15.01886027      8.53223949    -13.06821945
  H     12.47846490      9.26088777    -17.84393111
  H     17.81438790      6.00684021    -14.47974808
  O     11.42104509     10.63364264    -17.05204386
  H     13.14982588      7.93279173    -17.45675839
  H     17.88970451      9.52871902    -12.68057116
  O     17.26902789      6.81568618    -11.08899812
  H     14.44298737      6.79528317    -10.13331653
  H     16.42562936      9.26311718    -12.28755238
  O     11.48838454      8.32519921    -11.95080215
  H     14.72007125      6.47590478     -8.64325659
  H     15.51846291     10.29432024    -19.48309436
  O     17.21032182     12.38286147    -12.71458115
  H     16.65854914      7.28102351    -15.56303768
  H     14.59371004      9.63893269    -18.43148122
  O     18.28994061      6.52977374    -15.15182196
  H     16.11668113      8.70809484    -15.83123426
  H     12.34047959     11.20418599     -9.94806510
  O     17.25737432      9.63398918    -11.95095458
  H     12.73345503      7.70247462    -15.31165119
  H     13.57722560     10.34965787    -10.30773104
  O     15.30111296     10.29644106    -18.55471247
  H     14.17291987      7.28407760    -15.76038419
  H     14.59980572     11.82191170    -14.22146272
  O     12.68854825     10.61051195    -10.60801573
  H     18.14540584      9.71644136    -14.95901303
  H     15.98366356     12.48135934    -14.07304841
  O     15.30012976     12.26670601    -14.72244956
  H     18.66555876      8.32860710    -14.54273651
  H     12.37229744      9.79460826    -14.22293281
  O     11.78598536      9.17034514    -14.67603844
  H     16.27319358     11.03228479    -15.64967632
  H     11.49131263      9.62935443    -15.47194601
          69
 Ord_Energy   -248.289642    
 O   -4.01393414      -2.10452628       5.62285662    
 H   -3.59880328      -2.21551251       4.75126934    
 H   -4.05554008      -2.97568846       6.00784588    
 O  -0.961297274       3.00271368     -0.680623472    
 H   -1.28638268       2.09264541     -0.679115534    
 H   -2.28987006E-03   2.95172310     -0.593139708    
 O   0.684581816      0.187801346       6.12720537    
 H   0.844978809       4.13384885E-02   7.05554628    
 H   -4.27912213E-02  0.832186937       6.06646729    
 O   -4.24185133       1.75708795      0.807649374    
 H   -3.89860964       2.65593338      0.878712595    
 H   -4.12947083       1.35494578       1.68156135    
 O   -1.73811066      -1.87504351      -1.56523800    
 H   -1.95202088      -1.01298404      -1.16378152    
 H   -2.22579527      -1.92689168      -2.38233328    
 O    1.82161391       2.81606984     -0.148336798    
 H    2.48444152       3.41089892     -0.489042878    
 H    2.21404266       1.92460239     -0.163295701    
 O   -3.41781235      0.575849414       3.19254470    
 H   -3.15511274     -0.347963333       3.08252263    
 H   -3.72538328      0.665344954       4.10240316    
 O   -2.70715284       4.20468473       1.00861299    
 H   -2.92420626       5.08878613      0.726963222    
 H   -2.06684971       3.85203576      0.363693029    
 O    2.84914970      0.307545364      -7.15483278E-02
 H    2.24625039     -0.375584632     -0.391840845    
 H    3.22026062      -4.02286202E-02  0.749501824    
 O  -0.134246662      -1.59034908       4.11099577    
 H   0.132299006      -1.02727854       4.84636688    
 H   0.632018745      -2.12472177       3.85046268    
 O  -0.147038624     -0.129784226       1.71737254    
 H   0.315559089      0.687986791       1.93855321    
 H  -0.184732795     -0.650472403       2.52910328    
 O   -2.07151389      0.437522113     -0.226823047    
 H   -1.50973749      0.263812065      0.542080045    
 H   -2.89678669      0.839734554       8.05863068E-02
 O   -1.66469073       2.76736403       3.17339396    
 H   -2.04242373       3.37860084       2.52862191    
 H   -2.18755603       1.95415843       3.11707997    
 O   0.982360303       2.31895685       2.49198890    
 H    8.07458982E-02   2.59664083       2.70734620    
 H    1.22621918       2.66709971       1.62607598    
 O   -3.98198485      0.597345173       5.96487570    
 H   -4.00609064     -0.375349015       5.94314575    
 H   -4.77357578      0.881498158       6.41492033    
 O   -1.90463221      -3.39647222      0.904638290    
 H   -1.96007502      -2.95056105       5.14935702E-02
 H   -1.01083732      -3.75540662      0.949140429    
 O    3.77626204     -0.793552339       2.38621998    
 H    3.39952278     -0.194962859       3.05727649    
 H    4.70486546     -0.876863122       2.58864379    
 O   -1.41528296       1.87460172       5.85836220    
 H   -2.28030276       1.46608818       5.98635340    
 H   -1.46037960       2.34566879       5.01649284    
 O   0.932235301      -4.07061243      0.747770011    
 H    1.29039085      -4.74117756      0.171222702    
 H   0.993672550      -3.22661138      0.268670082    
 O    2.00847983      -2.92624164       3.11429310    
 H    2.64382148      -2.26864219       2.80413556    
 H    1.71090436      -3.41794157       2.33884215    
 O   0.821619868      -1.59480059     -0.430612653    
 H    4.27549109E-02  -1.69369876     -0.992363811    
 H   0.531653523      -1.09726930      0.351952851    
 O   -2.65052819      -2.11507607       3.23671031    
 H   -2.51144981      -2.59767413       2.41102457    
 H   -1.77465439      -1.99070978       3.63566399    
 O    2.63990116      0.883818686       4.16358995    
 H    2.11738443       1.49058974       3.61858296    
 H    2.07034326      0.642809153       4.90254593    
          69
 Energy    -248.28960690839369     
  O     17.38193420     10.22877442     -6.54096605
  H     17.20834324     10.78632474     -5.78783929
  H     16.43241431      9.78691317     -8.05482403
  O     18.86918266      5.78541905    -10.43089809
  H     18.10430295     10.64813828     -7.04424386
  H     19.20443872     11.53354148     -8.97171439
  O     18.47266385      6.33610643    -14.25978324
  H     18.32904571      5.38541734    -11.12335774
  H     19.95163228     10.39142650     -8.23779537
  O     18.16802795      8.81649149    -13.10515576
  H     18.62799837      6.72538354    -10.40231268
  H     15.65313966     10.12565016    -12.31947667
  O     22.02600840      8.99855927    -11.18196526
  H     18.90083330      5.79652909    -14.91926006
  H     14.83835547      9.82586428    -13.60204445
  O     17.04499140      4.92654619    -12.35120730
  H     17.99038560      5.72637847    -13.67993921
  H     14.09119219      3.93719555    -11.48358397
  O     20.16014754     10.65871803    -12.46905851
  H     17.23519999      9.03614483    -13.21405411
  H     13.91314045      5.45299191    -11.68815689
  O     15.57966409      3.47972782     -8.62228013
  H     18.32699404      7.97975950    -13.56466356
  H     14.37118683      6.41728979     -8.77751313
  O     20.50242511      8.62715431     -8.71219343
  H     21.69963948      9.26431175    -10.31535127
  H     15.91533640      6.50834417     -8.63943614
  O     18.29518671      8.46661404    -10.33967616
  H     22.01090574      8.03636600    -11.13668275
  H     15.19715798      7.74468738    -12.17271366
  O     18.60604321      7.64233787     -6.74801330
  H     16.63012489      4.10591536    -12.05942088
  H     15.18566295      6.99328941    -10.80295629
  O     16.09175889      9.54806303     -8.92589470
  H     16.40233318      5.63534480    -12.19092611
  H     19.35208687     11.67883983    -11.33869249
  O     19.38190874     11.15832677     -8.09936077
  H     20.88708109     10.10545115    -12.15389666
  H     19.06974529     13.12369400    -10.87157358
  O     15.42163367      9.42877022    -12.96094105
  H     19.50811749     10.05453427    -12.84896228
  H     17.77747802      6.23067491     -7.49319087
  O     13.44787480      4.65292961    -11.40820978
  H     14.72690764      3.91207538     -8.49235292
  H     17.94195206      5.52179766     -8.86098337
  O     15.13255078      6.98125246     -8.95825455
  H     16.24688618      4.10443476     -8.30696433
  H     12.24771611      4.90718020     -8.41840775
  O     15.17029647      6.87241223    -11.76279558
  H     21.00175315      7.84469409     -8.97809387
  H     13.13051809      4.86623260     -9.69069507
  O     18.85426409     12.21158684    -10.69254030
  H     19.72846048      8.65307906     -9.30133387
  H     16.03930752     10.73283032    -10.28279759
  O     17.37054924      5.57955156     -8.08356585
  H     18.26420731      8.67576991    -11.28275835
  H     17.07037166     11.61500338    -11.01428805
  O     13.14246563      5.01532211     -8.72801442
  H     17.54119791      8.87921928     -9.90211718
  H     22.05224833      5.56094731     -9.80685634
  O     16.19698942     11.21697200    -11.10687506
  H     19.35610040      7.92380132     -7.28482406
  H     20.63914072      6.02173896    -10.22281969
  O     21.54058250      6.33246749    -10.03627647
  H     18.13292710      8.45440544     -6.53082494
  H     15.66413571      2.97403354    -10.28916089
  O     15.63234787      2.77991988    -11.24353124
  H     15.63359469      8.70015564     -8.84534048
  H     15.62597100      1.83071174    -11.33092111
          69
 Energy    -248.28955084339302     
  O     12.33271209      9.44085886    -16.05010927
  H     11.84374237      9.73741354    -16.81385178
  H     15.92680301      4.88692287    -14.98171566
  O     16.06353099      6.48273680    -12.22510142
  H     13.06178144     10.07688722    -15.92702323
  H     19.34315645      7.94104189    -14.46931501
  O     17.28343938     10.86267440    -11.57426892
  H     15.92482849      5.72137287    -12.80662176
  H     20.72864235      8.01039394    -13.79005102
  O     16.90649579      9.96341002    -15.87078300
  H     15.25865035      6.62787358    -11.70884173
  H     15.68773226      7.68860407    -13.51878854
  O     12.72917478      4.89854648    -14.79816565
  H     17.09210670     11.13560038    -10.66909258
  H     14.82515477      7.84651154    -14.79992535
  O     14.02122148     10.23639770     -8.82736036
  H     17.53570276      9.92794602    -11.53363269
  H     10.23839965      9.32031202    -13.60312015
  O     13.77750068      7.16161557    -10.79390255
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  H     11.55749710      9.18042474    -14.39060883
  O     14.88613825     10.73468088    -12.94295280
  H     16.43059265      9.35955365    -15.28043431
  H     17.16922996      9.46590549     -8.73746333
  O     16.30368753      5.79990729    -16.65355432
  H     12.12884686      4.17361211    -14.94753561
  H     17.67473908      8.32365243     -9.64413808
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  H     12.40456683      5.37823719    -14.01383905
  H     11.58209000      7.24299331    -12.97369728
  O     18.43351121      7.60010870    -15.93186001
  H     14.16138085      9.33177310     -8.52100439
  H     12.52015107      6.51604363    -11.98333389
  O     15.52209467      4.60474905    -14.15235552
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  O     19.81254892      8.24875133    -13.67393204
  H     13.52119513      8.07279305    -10.99745665
  H     18.28543617     11.08992814    -13.17417158
  O     15.37464792      8.32733206    -14.17147467
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  H     15.70913762     10.91528283    -12.46998176
  H     17.41269170      7.51845767    -11.70243251
  O     17.27334692      8.50756134     -8.78430451
  H     15.01439092      9.87898033    -13.38357428
  H     15.60565599     10.99102674     -8.87043355
  O     11.91195825      6.37281663    -12.72112069
  H     16.34720913      5.40476082    -17.52171348
  H     16.61771474     11.99813875     -8.27447518
  O     18.72277211     10.91879448    -14.01837131
  H     15.46575425      6.28833154    -16.61429152
  H     13.59760804     10.19625176    -11.88368322
  O     18.07954323      8.17874177    -11.46166344
  H     15.72613525      7.80812415     -8.40845653
  H     12.19099155      9.58029137    -12.01550705
  O     16.53429128     11.28278662     -8.89895778
  H     14.82259190      7.04229396     -7.41233849
  H     15.23937369     10.88964513    -15.96348950
  O     12.89374415      9.75525881    -11.38140942
  H     17.99865753      8.44438976    -16.11540121
  H     14.46303429     11.28348784    -14.70588616
  O     14.36345284     11.16453363    -15.66046715
  H     17.78158879      6.92305512    -16.14214615
  H     13.37318160      6.31500224    -15.75718553
  O     13.85804476      7.04143686    -16.17530754
  H     14.57345401      4.57382799    -14.32537941
  H     13.27238780      7.80570010    -16.22874173
          69
 Energy    -248.28927352263378     
  O      1.05927703      0.44142342      8.52842885
  H      1.33830085     -0.48236284      8.39064449
  H     -5.10128287     -0.95908365      4.87864697
  O      1.57781927     -2.15681151      8.01822768
  H      1.85067415      0.97278859      8.53185146
  H     -0.69984500      0.51071334      4.83608926
  O     -2.59117352     -2.86258657      3.28215465
  H      0.93313633     -2.58777898      8.59869708
  H     -1.58617553      1.00273201      3.68100635
  O     -3.35443142      1.44287671      3.67084085
  H      1.31755329     -2.39223806      7.11925819
  H     -1.53727749     -0.62551671      7.20288290
  O     -4.43107493     -4.67044162      9.23796362
  H     -2.43407849     -3.46472198      4.01930528
  H     -0.25474756      0.25547486      7.25398037
  O     -3.81153948     -2.67786850     11.22898801
  H     -1.72439729     -2.52427109      3.02406218
  H     -3.19483774     -1.24274287      8.74468288
  O     -0.56887182     -3.07454340      9.52071157
  H     -3.82130911      0.63872181      3.41097498
  H     -3.07603545     -2.32586827      7.65535877
  O     -4.33404772     -3.38118222      6.80438093
  H     -3.54076730      1.56687487      4.60951739
  H     -5.13308125     -1.28576370      2.34771496
  O     -1.17099061      0.65509556     10.30520640
  H     -5.16885858     -5.27207149      9.30704310
  H     -3.89767088     -1.73657997      3.16221920
  O     -3.47339448      1.22707820      6.54987791
  H     -4.52167316     -4.22149320      8.38057900
  H     -1.16226351     -3.64275896      5.67159510
  O     -0.01887827     -1.73061220      2.81871201
  H     -4.21452065     -1.90071377     10.81521459
  H     -1.84860552     -4.73701863      6.51929050
  O     -5.17676493     -0.89363524      5.83912486
  H     -3.99083253     -3.41338705     10.63176314
  H      0.29360804     -2.27200763      4.58849107
  O     -0.70851866      0.64604327      3.88223334
  H     -1.25703911     -2.60866045      9.02187501
  H     -0.19760008     -1.60377812      5.88983157
  O     -0.96086673     -0.05181087      6.67056614
  H     -0.66097049     -2.75457211     10.42533130
  H     -1.19037805     -1.84860825     12.80836384
  O     -2.56587000     -1.67643283      8.15371339
  H     -4.68111010     -2.57544987      6.39984901
  H     -2.24574916     -2.11097931     11.70797003
  O     -4.62245426     -1.08639380      3.12770691
  H     -3.58807977     -3.70063073      6.27473613
  H     -5.44075987     -0.56766952      9.19700797
  O     -1.94284975     -4.21185378      5.70999365
  H     -1.21453416     -0.12788336     10.86743198
  H     -4.31456615      0.40480336      9.66443414
  O      0.20666913     -2.40908390      5.54048448
  H     -0.36097954      0.58062492      9.78670178
  H     -2.52867417      1.53411119      9.67346890
  O     -1.35573936     -1.74950562     11.87479781
  H     -3.54317087      1.58657073      7.44221444
  H     -3.41817795      2.79888043      9.73868456
  O     -4.61629340     -0.51035988      9.70144892
  H     -2.57420824      0.87719241      6.49021221
  H     -6.37049474     -0.76485262      7.19716807
  O     -3.33031078      1.95242612      9.30863183
  H     -0.24010040     -0.82617829      3.10908989
  H     -7.73648851     -0.53363778      7.86711698
  O     -6.81327184     -0.67894733      8.05622437
  H      0.55689229     -1.64875478      2.06398923
  H     -2.65291519     -5.25259444      8.66860273
  O     -1.78583782     -5.29307843      8.24837099
  H     -4.59467471     -0.17332711      6.12069583
  H     -1.23177821     -4.68357449      8.75365246
          69
 Energy    -248.28917918806496     
  O     10.89751413     10.38159925    -12.89744417
  H     10.74712515      9.91891405    -13.73080357
  H     17.77473959      7.35339279    -16.41969017
  O     17.19286141     10.46073610    -10.35079117
  H     11.67085245     10.94404102    -13.03715225
  H     16.26997229     12.11539810    -14.70515113
  O     17.53610002      9.02054988    -16.81963684
  H     17.44977458      9.63408210     -9.92248825
  H     15.94178347     13.58868602    -14.98861406
  O     13.43668041      9.52775521    -15.22240634
  H     17.87039737     10.63883322    -11.01296664
  H     14.91148826      8.86867606    -14.20753680
  O     15.73198085      6.43570977     -9.91793039
  H     17.63721690      9.69193044    -16.13305646
  H     15.39946810      9.34204052    -12.81511230
  O     13.77622414      6.07215500    -13.41360806
  H     16.62008482      9.07571900    -17.12296632
  H     10.85379476      9.11893105    -11.68957629
  O     14.69542542     10.26241667    -11.41595579
  H     13.41447731     10.30691723    -14.64960586
  H     10.18551234      8.47054566    -10.45304648
  O     14.78157045      8.92675752    -17.48616285
  H     12.54225805      9.16523984    -15.24668953
  H     18.90450660      7.87240952    -10.91256544
  O     15.96430170      4.72878478    -12.18622194
  H     14.93515918      6.91574391    -10.18072230
  H     18.69241563      7.46032898    -12.38338936
  O     17.47269264     10.73071741    -14.56446795
  H     15.83383291      5.73494699    -10.57271399
  H     11.94029420      6.29399597    -13.41836108
  O     14.89885320      6.46470302    -15.93914516
  H     14.39487171      5.46836352    -12.98624090
  H     10.88571518      7.04476121    -12.56591635
  O     17.78967929      6.41384396    -16.15983096
  H     14.11848306      6.22573756    -14.30670238
  H     20.11156202     10.98248265    -12.22973431
  O     15.54678873     12.76069514    -14.72704941
  H     15.53314582     10.38971008    -10.94600671
  H     19.33236655      9.64676612    -12.22626928
  O     15.67152431      8.86819283    -13.61293438
  H     14.30352813      9.42007168    -11.14800203
  H     16.74261994      7.43693327    -13.46529794
  O     10.85454719      8.33048212    -11.11719457
  H     14.28491816      9.26143951    -16.71912250
  H     17.64290878      6.53745805    -14.35398527
  O     19.27639983      7.96223872    -11.79965862
  H     14.31589136      9.22155390    -18.26427636
  H     18.18192123      7.70384210     -8.41969850
  O     11.02577966      6.61068736    -13.41636445
  H     16.36423946      3.87390218    -12.32164371
  H     17.12806895      7.36764971     -9.49889974
  O     19.25327171     10.60277285    -12.39829184
  H     16.53249056      5.38218534    -12.63152784
  H     13.67306760      7.27490486    -11.95704393
  O     17.37460084      6.70163358    -13.44072289
  H     18.15619083     10.77947072    -13.88438556
  H     12.63281227      7.91552621    -10.99825965
  O     17.91807241      7.90592400     -9.31318469
  H     16.84348983     10.05944006    -14.25848221
  H     14.06271153     12.15813603    -13.85528593
  O     13.57594315      7.74600920    -11.11780828
  H     14.73957195      7.19889380    -16.54268516
  H     13.82192893     11.23873999    -12.62929792
  O     13.39061527     11.62577280    -13.40732498
  H     15.84578869      6.29436170    -16.00710286
  H     10.10528373      8.47436874    -15.81748754
  O     10.79744678      8.63497283    -15.18268470
  H     18.36551326      5.96793000    -16.77410590
  H     10.83552552      7.85284123    -14.60277663
          69
 Energy    -248.28913964331670     
  O     15.54352870      8.78049821    -17.29130066
  H     15.99304303      9.20327225    -16.54892225
  H     19.27778469      3.95421022    -14.77468115
  O     14.13026108      2.75471229    -15.49501128
  H     14.75186413      8.36166846    -16.93592201
  H     18.35948381      6.55255529    -17.86516902
  O     17.74787448      6.42544564    -11.70499682
  H     14.88289118      2.20403020    -15.73804076
  H     18.17008977      5.04760378    -17.57199038
  O     16.97922588      3.78283230    -17.99185855
  H     14.15088161      3.50186879    -16.10964916
  H     17.36800970      5.85853197    -15.90222547
  O     13.24017528      7.35552711    -10.80376958
  H     18.62997700      6.43713481    -12.09395694
  H     16.59593500      6.41375312    -14.66231068
  O     14.15773148      4.21146863    -13.17485630
  H     17.19005040      6.95702277    -12.29480777
  H     12.32368462      7.71697601    -16.40963555
  O     16.18007751      7.76630334    -13.48157636
  H     16.11203870      4.20059992    -17.90827351
  H     13.26903674      7.27328355    -15.27394870
  O     17.61582670      3.25504729    -14.25673950
  H     16.91222939      2.95115207    -17.50760389
  H     14.30936079      4.01130132     -9.74937972
  O     12.90392230      4.47970038    -10.68969909
  H     12.84197238      8.01792546    -10.24544043
  H     15.04459219      3.30082394     -8.58659984
  O     19.17554253      8.04963792    -15.39116346
  H     14.12687973      7.18097020    -10.44005951
  H     15.32611847      5.25348435    -16.34822264
  O     16.66683109      1.57101763    -16.18907299
  H     14.10190865      3.62880340    -13.94594252
  H     14.03377070      5.82611638    -16.93991642
  O     19.98767967      4.54278614    -15.06624617
  H     15.02364478      4.08385881    -12.76827665
  H     20.15649111      5.75174290    -13.82182429
  O     18.63290230      5.84333519    -17.26203300
  H     15.23081976      7.59088260    -13.51531010
  H     21.06057628      6.58084412    -12.88072794
  O     16.68867071      5.65289714    -15.24609422
  H     16.37885668      8.56507332    -13.98542271
  H     16.21424488      3.73076497    -10.90492150
  O     13.22245049      7.45259792    -16.22709626
  H     17.23988725      4.07207680    -14.62307263
  H     17.04338537      4.74433657    -11.73566859
  O     15.18104731      3.87232845     -9.33686064
  H     17.36485290      3.25357580    -13.32441224
  H     15.57724766      5.75057336     -9.48017297
  O     14.62447644      5.06872700    -16.99350225
  H     12.82347228      5.44034237    -10.66586804
  H     16.47623897      6.68531688    -10.31019248
  O     20.16308196      6.49543154    -13.19279971
  H     13.18060655      4.26792745    -11.59333364
  H     13.31878119      7.13997851    -12.64314870
  O     16.61406047      3.87654054    -11.77025684
  H     19.17465817      7.39139418    -16.09386170
  H     13.75319948      5.92289138    -13.49798969
  O     15.67189815      6.66457293     -9.77675366
  H     19.52766346      7.60804308    -14.60838414
  H     17.42358986     10.68295543    -15.06035506
  O     13.55201299      6.87144348    -13.54116949
  H     17.03986910      0.69426426    -16.15038246
  H     17.89512363      9.22236251    -15.27016449
  O     17.11019578      9.78630994    -15.14052801
  H     17.05843510      2.07579301    -15.45541528
  H     17.47652897      8.04012997    -19.72435145
  O     17.60830149      7.82059656    -18.80605613
  H     19.70205310      4.90842763    -15.91224144
  H     16.83020456      8.15931209    -18.33203937
          69
 Energy    -248.28911837685254     
  O     11.92386263      8.58797791    -10.41703630
  H     11.87746871      8.86315890     -9.49091278
  H     13.40281229     12.12984030    -14.43399327
  O     13.97316743      8.59522466    -16.60891211
  H     12.86624841      8.52960865    -10.62085567
  H     16.61012934      9.85731788    -10.94096905
  O     14.37452299      8.43498876    -13.83059647
  H     14.53007203      8.45996342    -17.37114089
  H     17.14478570     10.83563168     -9.88425244
  O     12.14190193     12.41241998     -8.19286241
  H     13.53049009      9.45324227    -16.73605398
  H     13.47113293     14.46392953    -12.08766577
  O     12.52516790     10.89287853    -16.92100425
  H     13.43945009      8.32124289    -13.60374984
  H     11.99470885     14.20916415    -11.71964121
  O     11.66177077      8.20875267    -13.22235674
  H     14.40983919      8.38166251    -14.79427845
  H     14.42720774      9.74688411    -11.06782505
  O     14.88686647      9.25614366     -8.24133015
  H     11.57470414     12.90856559     -8.79394659
  H     14.79951915      8.53974903    -11.97223884
  O     13.72816092     11.35084603    -11.17316356
  H     13.04114955     12.71167882     -8.38939220
  H     16.21697066     12.29464800    -13.17033493
  O     12.08721861      9.72337278     -7.86197057
  H     11.60371693     10.60614199    -16.92891958
  H     17.05705923     12.03996338    -11.91651295
  O     15.27312905     14.66943924    -11.34811317
  H     12.56773080     11.62265967    -16.29015745
  H     11.31754121     11.38691423    -14.22576454
  O     10.88959168     11.07843416    -11.29460799
  H     11.56970783      8.15061673    -12.26497715
  H     10.23486928     10.44317582    -14.81503434
  O     12.57411217     12.58991143    -14.63845361
  H     11.32744317      9.07929356    -13.48509621
  H     15.42108042     12.60407667     -8.80012805
  O     17.23227875     10.57826626    -10.81082951
  H     13.95372161      9.38584937     -8.03267532
  H     14.94849695     13.71777312     -9.80712664
  O     12.59506559     14.32064617    -12.46494542
  H     14.91742910      8.91484603     -9.14405717
  H     14.72238206     10.27254216    -13.85889796
  O     14.75121887      8.82919085    -11.05235443
  H     14.02464867     11.94247086    -10.47101081
  H     14.44126978     11.38781524    -12.83032936
  O     16.76176640     12.74390505    -12.51166906
  H     12.76656026     11.39343229    -11.21538749
  H     10.35881665      8.87659395    -16.38479135
  O     10.65948590     10.71388220    -13.99260882
  H     11.63572574      9.53076358     -7.04424949
  H      9.15889100      9.57257662    -17.07361394
  O     14.65183052     13.06450836     -9.15951491
  H     12.07306172     10.69153903     -7.96857491
  H     17.18756774     11.30202491     -7.37258953
  O     14.76035777     11.22775212    -13.73320715
  H     15.84512424     14.01675656    -11.79208463
  H     16.00895918     10.57737653     -8.07065852
  O      9.91642540      9.73409919    -16.51843078
  H     15.67843901     15.52256782    -11.47897685
  H     10.65445980     12.70873809    -10.68053881
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  H      9.82078092     13.97588738    -10.37873865
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  H     10.68144292     10.98218642    -12.23556977
  H     11.42351596      7.51246804    -14.98939547
  O     11.38696112      7.51322723    -15.95513688
  H     12.50196943     13.29731381    -13.98239111
  H     12.28280753      7.72024378    -16.25027521
          69
 Energy    -248.28910441639636     
  O     13.56306860     11.29615247    -17.67334862
  H     14.29072548     10.89696383    -18.16603909
  H     16.10248595      9.50202047    -17.06854846
  O     17.80971477      6.35249852    -13.33379823
  H     13.93777372     11.58473562    -16.83095802
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  O     18.80955759     11.52974346    -13.43361875
  H     17.05030995      5.81819945    -13.58677414
  H     16.14591358      8.78466310    -13.21463729
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  H     17.79606908      6.43407563    -12.36719800
  H     12.25252505     10.13449697    -17.66491645
  O     13.93425343      9.65947350     -9.60799690
  H     18.59841764     10.70272610    -13.88816384
  H     10.84496360      9.70232057    -18.14245845
  O     14.27190563      6.39881182    -11.91950918
  H     19.03846020     11.24644201    -12.54104587
  H     18.08441718      7.89759818    -10.65502273
  O     13.05122926     10.28815755    -13.46631882
  H     15.24447515      4.25997787    -14.58287444
  H     16.91742899      7.04202709    -10.12806550
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  H     11.68331323      7.46586067    -13.43788857
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  H     14.62385284     10.24808002     -9.94097592
  H     11.60425531      8.02141795    -11.99811798
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  H     14.35934346      8.80815231     -9.44476436
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  H     14.78345649      6.73775290    -10.27199836
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  H     10.96473397     10.10149792    -10.58481682
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  H     13.61904429      7.46769639    -15.50795695
  H     15.32380972     12.16644413    -14.54869906
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  H     12.33872815      9.06898630    -14.59557902
          69
 Energy    -248.28906944757591     
  O     -7.10093072      2.88618593     -0.55421957
  H     -6.28201306      3.36258592     -0.75121742
  H     -6.28593561     -0.22142149      2.81944737
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  H     -7.26832559      3.00108780      0.38766161
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  H     -5.14617023     -1.38460159      4.79715007
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  H     -3.59924382      2.03072687      0.81592841
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  H     -5.69393268      3.33177007      2.92305038
          69
 Energy    -248.28904588955078     
  O     -1.38299770      0.42436681      0.54251943
  H     -1.71734062      1.20461056      1.00631992
  H     -0.77830162     -2.69921304      1.47473266
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  H      0.55495460      1.20631655      3.44687223
  O     -5.36289621     -1.23066757      0.96284929
  H      0.63439841      2.75496162      1.80742399
  H      1.27580012      0.50915438      4.62423515
  O     -2.28180680     -5.48894452      1.53539147
  H     -0.80189316      2.85201492      2.37224038
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  H     -6.70674322     -4.44757311      0.36160567
  O     -2.58290886      2.60116136      1.74982401
  H     -1.23272726     -2.23848693     -2.20057256
  H     -5.21050993     -4.20388243      0.04590984
  O      2.25078775     -0.05786168      1.29742155
  H     -1.46776186     -2.91218237     -0.83229542
  H     -2.75206831     -0.22169402     -0.35554002
  O      1.66772416      2.54982480      0.21965263
  H     -2.52377948      3.49977742     -3.00847443
  H     -3.08583177     -1.34587704     -1.33625651
  O     -1.08047302     -1.30381545      2.58962151
  H     -2.95542767      2.75077988     -1.74031581
  H     -5.56925794      1.59165650      2.26242635
  O     -5.94552659     -3.93986611      0.62847504
  H      0.86883726     -2.57893169     -0.04340692
  H     -5.98141591      0.52069766      1.25054928
  O     -3.46762825     -0.56894817     -0.91104042
  H      1.80472290     -1.35303375      0.11508723
  H     -4.29363201     -1.25742562      2.43155947
  O     -6.00646506      1.47491118      1.41165199
  H      0.76724228     -1.45974358     -1.98009999
  H     -2.84164546     -1.31468660      3.03786060
  O     -3.78336378     -1.25544430      3.25636553
  H      0.76808098     -1.41239559     -3.52894239
  H     -0.74061176      1.93975138     -1.97616155
  O      0.01290635      1.42496904     -1.64948937
  H     -1.09778015     -4.15410700      1.04656013
  H      0.07552752      0.60201302     -2.15043724
          69
 Energy    -248.28898317847921     
  O      1.97929773     -0.28616105      3.00778570
  H      1.83071807     -0.08857825      2.06538389
  H     -3.24495918      3.24397354      1.53409829
  O     -4.06647380     -0.52716187     -2.04098929
  H      2.92332039     -0.34713380      3.12913393
  H     -1.39229219     -0.10096366      6.01753950
  O      0.24356860     -2.32434811      4.06994796
  H     -4.02132523     -1.12584795     -1.28282338
  H     -2.29759265     -1.17701966      5.40831709
  O     -6.59095725      0.41707418     -1.45825851
  H     -3.27732732      0.02441071     -2.00515767
  H     -1.30345407      3.97647410      1.98874572
  O      0.00741682     -1.28277204     -1.38303899
  H     -0.28812005     -1.88624865      4.75165285
  H     -0.15852217      3.07191836      2.49655913
  O     -3.57701864      2.54712785      4.53873962
  H      0.85965622     -1.66997288      3.72579185
  H     -2.71678751      1.15620794      1.33343735
  O     -3.88712242     -3.49243902      2.68141919
  H     -7.23944939      0.02780181     -2.03886093
  H     -2.73969830      1.52165818     -0.16743543
  O      0.09341776      1.67064720      3.62418874
  H     -5.72555865      0.12144046     -1.78932735
  H     -1.13855107      0.57272835      2.80991303
  O     -1.63705507      1.01171982     -1.55580391
  H      0.13490967     -1.97580454     -2.02492298
  H     -1.49168464     -0.65312156      1.88805168
  O     -5.73652327      0.79859953      3.80503917
  H     -0.48825570     -1.67070166     -0.63880259
  H      1.17295252      1.21029236      0.12605543
  O     -3.67825872     -1.11180218      4.14398040
  H     -4.33735127      1.98891772      4.33808531
  H      1.11488587     -0.28008008     -0.22601382
  O     -3.21073832      4.01785484      2.12337548
  H     -3.45801640      3.12542207      3.77554452
  H     -2.20090510      2.07208784      5.49656765
  O     -1.44530623     -1.04804918      5.84679653
  H     -2.99735454     -3.86061214      2.73106353
  H     -1.35794544      2.35046542      6.76330287
  O     -0.38400028      3.73580775      1.82898816
  H     -3.88878211     -2.74223124      3.29367374
  H      0.06396247      3.16687270      0.26746505
  O     -3.16861804      1.70922379      0.67564234
  H     -0.27581089      1.70209128      4.51657844
  H      0.85726030      3.44294050     -1.03054316
  O     -1.85880993      0.07814962      2.39996613
  H      0.82531820      1.04156198      3.59985714
  H     -0.67854427     -5.00329380      2.73171282
  O      1.48230091      0.34287780      0.41247415
  H     -1.00857312      1.71144328     -1.33049258
  H     -0.58257795     -3.52953496      3.19493695
  O     -1.39278446      1.81393275      5.97606438
  H     -1.10763841      0.20340459     -1.57947506
  H     -1.25365869     -2.89243827      1.31118477
  O      0.33313981      2.78191155     -0.58587903
  H     -6.63858793      0.79614197      4.11492892
  H     -2.36777232     -2.06683440      0.59064351
  O     -1.07462754     -4.14424436      2.61857904
  H     -5.77165428      0.68081809      2.84002414
  H     -4.18913379     -2.57069642      1.17210200
  O     -1.41056499     -2.14378465      0.72142601
  H     -4.45234918     -0.53853550      4.15878114
  H     -4.68192669     -1.16388106      0.74615221
  O     -4.14952265     -1.91526564      0.45792968
  H     -3.04098710     -0.68673824      3.54903387
  H     -4.78410286      0.97583744      0.90849884
  O     -5.59637794      0.48209492      1.09702044
  H     -3.79148779      4.67528212      1.74853633
  H     -6.10935267      0.48212575      0.27639861
          69
 Energy    -248.28894486671970     
  O     -6.15702651      3.33669797     -1.73355875
  H     -6.07338639      3.03985977     -0.81048720
  H     -4.47857202     -0.03284108      2.13781059
  O     -1.56712189      3.80975888     -3.62995559
  H     -7.00033306      3.77807630     -1.80196322
  H     -0.82356023      0.70046027      2.04202865
  O     -5.48512420      2.37310430      0.70024924
  H     -2.27826820      4.17008485     -3.06876830
  H      0.26272439      1.66825231      2.54156009
  O     -3.40890362     -0.82411205      0.84912416
  H     -1.50546801      4.37895033     -4.39235248
  H     -1.56392552      4.08235431      0.53220346
  O     -0.02815011     -0.26807165     -1.55538417
  H     -5.53912644      1.72686621      1.41892121
  H     -0.95692754      2.79064414      1.21049872
  O     -2.97672499      1.38125928     -3.30677369
  H     -4.67879145      2.14615692      0.21073535
  H      2.32519432     -1.15469184      0.89612620
  O     -4.65806423     -1.64793084     -1.53016425
  H     -3.78965127     -1.25008728      0.06940159
  H      2.58520570     -2.01331553      2.15776625
  O     -2.16231226     -1.24222288     -2.95411674
  H     -2.47727022     -1.06851665      0.93119648
  H      2.27314161      1.85530022      1.29267085
  O      0.26968341      2.55502889     -1.86092402
  H     -0.00455803      0.67276654     -1.76652195
  H      2.12219292      0.59424311      2.16303781
  O     -0.65158633     -0.87051120      1.05942100
  H     -0.72040081     -0.68340279     -2.09015616
  H     -4.75627945      0.87979590     -3.17757811
  O      2.61500031     -0.63009908     -0.74354630
  H     -2.50072219      2.16122481     -3.60702781
  H     -5.93780221      1.47525206     -2.42115446
  O     -4.99218299      0.56678619      2.69845683
  H     -3.04604206      1.46254637     -2.34076840
  H     -2.73311749      2.14021980      4.91888072
  O     -0.69722091      1.53738548      2.50965117
  H     -5.05909930     -0.85096764     -1.91853442
  H     -2.11209251      1.93700529      3.52064441
  O     -1.09491626      3.25391690      0.37393596
  H     -5.27148644     -2.36159617     -1.68703773
  H     -2.42262997      2.14662772     -0.20726766
  O      2.04543780     -1.30522110      1.81776388
  H     -2.94952203     -1.56695380     -2.50394383
  H     -3.13675698      0.75755038     -0.03708390
  O      2.00734626      1.55358813      2.16964456
  H     -2.40349188     -0.35733410     -3.26672509
  H     -3.26794110      5.11357771      1.27918843
  O     -5.59308867      0.64005572     -2.75345258
  H     -0.16618180      2.83617703     -1.03984512
  H     -2.57559933      6.42656195      0.83503192
  O     -2.93227280      2.16943529      3.98603111
  H     -0.22605120      2.97284440     -2.57407628
  H     -3.36846023      5.01079912     -1.15230704
  O     -3.13305635      1.58394569     -0.53875399
  H     -0.46297037     -0.64716964      0.13457340
  H     -4.43971912      4.24906865     -1.97711973
  O     -2.71609426      5.51774528      0.58438293
  H      0.18560338     -1.16296732      1.43846987
  H     -3.75052740      3.58247336      3.02147595
  O     -3.58382711      4.68953196     -2.03593742
  H      2.84449659      0.30711790     -0.73186974
  H     -4.74145527      3.63773733      1.84425988
  O     -4.16447345      4.18630054      2.39314897
  H      1.74025704     -0.66423126     -1.15774602
  H      1.90429641      2.38436986     -1.09653417
  O      2.70758729      2.23053014     -0.57328477
  H     -4.34537410      1.04034374      3.23432819
  H      3.34709566      2.87730450     -0.86205161
          69
 Energy    -248.28850505014867     
  O     10.76218438     11.31687270    -12.11193542
  H     11.65610936     11.39400460    -12.48217952
  H     16.06673835      7.27055386    -17.48143559
  O     14.06855643      7.24302201    -15.13041151
  H     10.19510873     11.82004595    -12.69179086
  H     18.99119044      5.69211031    -16.14481098
  O     17.28114895      9.96734751     -9.96744610
  H     13.73071758      6.71901264    -14.39072650
  H     17.55475870      6.26677635    -16.11865036
  O     18.37173820      9.10065086    -16.35966287
  H     13.44952059      7.97453216    -15.25408354
  H     15.98534954     11.84234660    -14.81077201
  O     12.31313449      9.40045867    -15.10783279
  H     17.40526889      9.00590792    -10.08364727
  H     15.43998666     13.25036640    -15.14929892
  O     15.14704240      6.02521743     -9.77687958
  H     17.39526925     10.15136660     -9.03916943
  H     16.39474196      9.30889307    -14.02047326
  O     13.10275061      5.97650906    -12.87250557
  H     17.69023102      9.08766552    -17.04522520
  H     15.30867121      8.18503114    -14.22297601
  O     14.86343085      9.79775267    -11.42043773
  H     18.49048300      8.18521456    -16.08203514
  H      9.75091998      8.78535901    -10.45412168
  O     16.17903724      9.02440966    -18.18044758
  H     12.62119021     10.01282211    -14.42703996
  H     10.56355557      9.73046659    -11.36988271
  O     15.43711051      4.52967020    -12.23751378
  H     11.67377204      8.81243206    -14.67852237
  H     16.87547954      7.14284364    -13.15793146
  O     17.33839006     10.80489597    -14.52468346
  H     15.18114218      5.39137383    -10.50346740
  H     17.86849487      6.20940469    -13.86727471
  O     16.03948771      6.48191303    -16.92526186
  H     14.37999511      6.58538263     -9.95341181
  H     11.45296053      6.87307796    -13.44943346
  O     18.41388750      6.27328247    -15.65666978
  H     13.80874986      5.34344094    -12.69339185
  H     10.60449213      7.95644774    -12.76558194
  O     15.17173110     12.35166085    -14.97695712
  H     13.10606953      6.59725845    -12.12871125
  H     18.25910866     10.60603791    -11.39113819
  O     15.92740097      8.57992561    -13.59399971
  H     15.23575017      9.30990962    -12.17385909
  H     19.66322251     10.59685105    -12.00960337
  O     10.50415150      8.81814984    -11.03836346
  H     15.60197107      9.97936033    -10.82923984
  H     16.72187561      6.88153667    -10.03643374
  O     17.38579095      6.32619545    -13.04035974
  H     15.46767201      9.51800247    -17.73557787
  H     17.68862689      6.95490801    -11.23336958
  O     10.83353122      7.59139427    -13.62864856
  H     16.13054734      9.25374977    -19.10473875
  H     13.46730032     10.06968759    -16.44507984
  O     18.76295856     10.86885451    -12.17533885
  H     16.15325870      5.10999073    -12.54520130
  H     14.54561592     11.15976981    -16.33168197
  O     17.51641455      7.33077916    -10.36308574
  H     15.74413640      3.63306427    -12.34534057
  H     12.20427505      8.11067756    -10.71493386
  O     14.24374805     10.43313600    -16.88944178
  H     17.88590200     10.87669406    -13.72995221
  H     13.69317907      8.51087864    -10.90063366
  O     13.10443758      7.76389262    -10.72221868
  H     17.81255850     10.28113411    -15.18864852
  H     13.83894352     10.81531766    -12.50581840
  O     13.30168407     11.25392537    -13.18129978
  H     15.29205704      6.62242759    -16.32695467
  H     13.90851739     11.73005386    -13.76124939
          69
 Energy    -248.28846941381067     
  O     10.50132560      9.72431354    -10.82352542
  H     10.26287884      9.57223015    -11.75649721
  H     16.18415557      7.33379900    -17.44463529
  O     13.86678561      7.71418597    -15.50950344
  H      9.88731430     10.36789250    -10.48119007
  H     17.93171600      8.00387682    -16.26736340
  O     18.53621629      9.01126149    -11.50672634
  H     14.60940383      7.96514375    -14.93363545
  H     17.65141088      6.60127649    -15.69814061
  O     17.73170068      9.80204758    -15.44212139
  H     14.23037498      7.61423210    -16.39649392
  H     16.92266032     11.36646390    -14.41287933
  O     12.59328839      9.92394607    -14.43845926
  H     17.65774869      9.40340102    -11.41170106
  H     15.50379087     11.95009383    -14.42158583
  O     15.74905208      5.31107501    -10.86681589
  H     18.43732108      8.06217274    -11.36984939
  H     15.95886717      8.82943117    -13.06807202
  O     12.96661282      5.77574228    -13.80630583
  H     18.54567995      9.87114631    -14.91965525
  H     16.45025147      7.50635577    -13.77357076
  O     15.95733432     10.09489264    -11.74025041
  H     17.08811600      9.30787256    -14.91050446
  H     10.64098521      7.82919294    -10.51422957
  O     15.70628154     10.36663051    -17.28153130
  H     13.01481886     10.68539345    -14.85588864
  H     11.79083014      6.81683281    -10.65678412
  O     15.16326717      4.16583081    -13.45017369
  H     12.94785348      9.14169145    -14.88387069
  H      9.48368223      5.69290922    -13.28292065
  O     19.82077070      9.93211524    -13.72638837
  H     15.55699939      4.75470739    -11.63072376
  H     10.39305883      6.40574765    -12.25294655
  O     15.34463187      7.56842210    -17.87987547
  H     15.02338737      5.94995461    -10.83280439
  H     16.64845109      5.25644174    -13.83861737
  O     17.65708634      7.11352966    -16.51730533
  H     13.22403834      6.42214992    -14.48086656
  H     17.82846191      5.95455186    -13.10799046
  O     16.27999976     11.82620260    -13.86189439
  H     12.01154433      5.84556211    -13.68431985
  H     17.37856761      5.88668271    -11.03764889
  O     15.94230012      8.32003590    -13.88781793
  H     16.08148309     10.81091640    -12.38384859
  H     18.88699148      5.69664300    -10.74720247
  O     10.82686602      6.88846422    -10.62676367
  H     15.01380581     10.06065333    -11.53951026
  H     13.85780070     12.70121642    -16.19884585
  O     10.26677244      6.23150623    -13.20351926
  H     15.50624766      9.48546450    -17.61589972
  H     14.62500576     11.36596971    -16.34975761
  O     17.34928054      5.91285542    -13.94624064
  H     16.51496100     10.26727096    -16.75921547
  H     13.40291114      6.60071702    -12.17368538
  O     18.27234823      6.17114154    -11.30086926
  H     14.34437141      4.66537087    -13.60682679
  H     13.51869583      7.94247434    -11.40752614
  O     14.09171801     11.90153494    -15.73475647
  H     14.99109128      3.26659681    -13.71812045
  H     12.34137875      9.83775768    -11.26015786
  O     13.56792956      6.98325033    -11.30154267
  H     20.57076103     10.45882383    -13.46472569
  H     13.02996573      9.83513357    -12.64659097
  O     13.19402911      9.72999468    -11.69827534
  H     19.41784502      9.60774301    -12.90221183
  H     10.11639008      8.15900483    -13.51781809
  O     10.09619241      9.12012272    -13.44284613
  H     15.35221566      7.14981586    -18.73615749
  H     10.88448243      9.44831637    -13.89799259
          69
 Energy    -248.28836253703037     
  O     12.05599335      6.34416773    -15.52185580
  H     13.01158598      6.27023988    -15.65084879
  H     13.06192806      3.44866419    -11.43093564
  O     11.83987764      9.14146075     -9.45028152
  H     11.88002815      7.25269539    -15.25331067
  H     13.46836521      5.49610941    -11.78946813
  O     17.07345210      5.96694709    -11.54484543
  H     11.46603484      9.77543767     -8.84340104
  H     12.27521969      6.39444278    -11.45824080
  O     12.46687095      3.32577326     -9.76485089
  H     11.76234695      8.26991544     -9.01946642
  H     11.89507594      9.86311644    -14.94609845
  O     14.49270917      8.30428524     -9.96628009
  H     16.84681730      6.89184627    -11.71534241
  H     12.73528356      8.84899991    -14.13417121
  O     17.45516503      6.98949717    -16.23977189
  H     17.98733655      5.85291796    -11.83514921
  H     19.16562467      5.26914922    -13.57995000
  O     15.73302962      4.45094815    -13.47540690
  H     11.57099198      3.63895410     -9.59253091
  H     20.42547191      5.42300340    -12.69144904
  O      9.97305859      4.67070383     -9.31195692
  H     13.01928500      3.76950514     -9.10831873
  H     13.83263413      7.50021523    -12.89191445
  O     18.38405671      8.15595017    -13.96029706
  H     13.71887467      8.81268888     -9.70154688
  H     14.49728433      7.46935847    -14.29460512
  O     13.87436137      4.86302740     -7.83347631
  H     14.12697126      7.56524901    -10.47824680
  H     15.53525875      7.00914523     -9.12070994
  O     11.70819459      6.67919290     -8.30381111
  H     17.86864290      7.38939715    -17.00007187
  H     16.42139725      5.93410354     -9.77030421
  O     13.36362157      3.69948480    -12.31825140
  H     17.77559811      7.47466559    -15.45829838
  H     15.67402076      8.57612329    -12.67939769
  O     13.22974851      6.41019339    -11.59232665
  H     16.15521964      4.95014913    -12.76162766
  H     15.89803429      8.75858448    -11.18132678
  O     11.83310962      9.06479727    -14.42717843
  H     14.95693216      4.01708347    -13.09572844
  H     17.98692072      5.27744768    -15.47221831
  O     19.55746990      5.78261809    -12.85045050
  H     10.04110002      5.11045945    -10.17961159
  H     17.34822241      4.31954637    -14.44933556
  O     14.20962318      8.06231456    -13.58652617
  H      9.05806742      4.43204255     -9.19372871
  H     10.92346049      8.87163417    -12.75508415
  O     15.95932527      6.15615690     -8.95249316
  H     18.91060671      7.46440874    -13.53955390
  H     10.98943210      8.90662132    -11.19327491
  O     16.37512414      8.66591531    -12.01589427
  H     17.79359325      8.49612039    -13.27627411
  H     15.70907119      6.47605912    -15.88379847
  O     18.19080531      4.56085921    -14.85886144
  H     14.66710248      5.26965348     -8.22477386
  H     15.13573116      5.51505661    -14.81081285
  O     10.47606682      8.59186339    -11.94759816
  H     14.12929270      4.54711360     -6.97043970
  H     11.42693699      5.07628197    -14.53129108
  O     14.88793711      6.18065860    -15.47081407
  H     11.02587113      6.04031335     -8.54318155
  H     10.56085967      3.79870694    -14.43351860
  O     11.09745562      4.39525647    -13.91815470
  H     12.48833224      6.14944740     -8.09900570
  H     10.52925369      5.44128474    -12.48622215
  O     10.37526572      5.91223481    -11.65863173
  H     12.58325704      3.81692296    -12.87360671
  H     10.26320602      6.85843464    -11.83855819
          69
 Energy    -248.28828984958153     
  O     10.56221569      9.06438115    -13.01563680
  H     11.16464898      8.35027762    -12.73671001
  H     18.82641130     10.88391692    -15.67158902
  O     17.31065636      8.46676785    -14.10961277
  H      9.67588513      8.76369224    -12.83691423
  H     13.22059719     12.49953380    -15.40851859
  O     16.92317106     11.87879701    -11.64756799
  H     17.87683507      9.02282845    -13.55430982
  H     11.76636829     12.96106337    -15.64482826
  O     14.87662080     12.70594493    -15.88368524
  H     16.42515007      8.86347882    -14.11407673
  H     13.95249522      9.47327799    -14.44915915
  O     13.90920315      7.73741300    -16.51616713
  H     16.94096647     12.47433658    -12.40616931
  H     14.73994240     10.16258749    -13.31120401
  O     16.05989923      8.33568718     -8.54132118
  H     16.01563480     11.54052975    -11.58859138
  H     13.02270420      7.48970490    -11.74537759
  O     16.12192383      6.55984488    -12.52889695
  H     15.58696313     12.91388602    -15.26545636
  H     12.87965484      6.74789172    -13.09282120
  O     14.43708635     10.77674907    -11.62924988
  H     15.17013852     11.93703518    -16.38963044
  H     20.52186267      8.44947567     -9.95894452
  O     18.27547520      9.24748430    -16.56100971
  H     13.15485436      8.27155980    -16.22407020
  H     19.08498793      8.00675558    -10.32906950
  O     17.80615388      6.81983413    -10.24297759
  H     14.54629942      8.38174422    -16.84252219
  H     13.83588908      5.12244271    -14.75232733
  O     15.59618629     10.12674274    -16.79816844
  H     15.89502496      8.34721205     -7.60263942
  H     14.07181785      6.58910373    -15.16138445
  O     18.98343079     11.56607243    -15.00919408
  H     16.56529846      9.14205925     -8.74962257
  H     17.76680838     12.72101194    -14.50842274
  O     12.29227789     12.31484117    -15.18096261
  H     16.66222376      7.14700100    -13.07801855
  H     17.40151190     14.18964132    -14.19774185
  O     14.84284446      9.68557805    -14.14360346
  H     15.43863943      6.22038917    -13.11981941
  H     18.19964197     10.74288068    -12.21968400
  O     12.37621633      7.18677203    -12.39751599
  H     13.53914148     11.09585082    -11.80312192
  H     19.28568978      9.68363906    -11.86290381
  O     19.70317717      8.75958980    -10.33571335
  H     14.38371134      9.87332084    -11.28874961
  H     17.39643736     11.06629834     -9.96466842
  O     14.06090277      5.98152704    -14.40231616
  H     17.98268698      8.83859124    -15.72817513
  H     18.42603158      9.98843119     -9.55691246
  O     17.07795696     13.29421363    -14.12736318
  H     18.79657334      8.59484523    -17.02142295
  H     14.92008275      8.15223005     -9.96730585
  O     18.87039869     10.15289167    -12.59608861
  H     17.19217357      7.18191679     -9.59140513
  H     15.09013023      7.61407445    -11.41410572
  O     17.62170757     10.43759784     -9.26803964
  H     17.27239242      6.56105253    -11.00456539
  H     12.03416136     11.89118451    -13.32866635
  O     14.49632529      8.11147315    -10.83369019
  H     16.52798668      9.88765791    -16.87454638
  H     11.38730050     10.72933504    -12.54970776
  O     11.94064948     11.51343935    -12.44489021
  H     15.37256313     10.05722673    -15.85646352
  H     11.55838330      9.30050473    -14.56045915
  O     12.19937700      9.50226992    -15.25342874
  H     19.14497725     11.09199507    -14.18084060
  H     12.19582320     10.46320469    -15.35553746
          69
 Energy    -248.28821327775211     
  O     -4.21202354     -3.36243621     -1.16589293
  H     -3.68671569     -3.48145927     -1.97024858
  H     -5.97796764     -1.20196629     -3.64771689
  O     -0.44646589      2.42043443     -5.19667503
  H     -3.58250009     -3.18057320     -0.45872471
  H     -4.34801226      1.10593518     -1.58519221
  O     -6.21240073     -1.69345067     -1.84725197
  H      0.15593354      2.01698647     -5.83603538
  H     -5.04695716     -0.30454011     -1.40739514
  O     -0.23567077      3.32011872     -0.35215699
  H     -1.32180443      2.04339259     -5.37624725
  H     -0.03632582      1.18828504     -3.88994562
  O     -2.32415537      0.05988303      0.67093809
  H     -5.53940057     -2.34560102     -1.57732804
  H     -0.86474359      0.04626412     -3.23378147
  O      0.08275001     -3.62946300     -3.44505499
  H     -7.03191569     -1.95474125     -1.43673875
  H     -4.67127731      2.57545098     -3.06409248
  O     -1.63142153      3.54979757     -2.89006433
  H      0.17235558      4.06332945      0.08441029
  H     -3.28816054      3.03451338     -2.52924909
  O     -0.04832353     -2.34325788     -1.04548257
  H     -1.15160204      3.27229987     -0.02493066
  H     -2.29443752     -1.70829644      0.86618364
  O      0.46588290     -1.49889046     -5.29450013
  H     -3.03032577      0.07523419      0.00390258
  H     -2.14164894     -3.01715467      1.67290742
  O     -2.86616207      1.07243716     -5.43705154
  H     -1.48531598      0.22111826      0.21418759
  H     -6.19445692      2.23827552     -5.14109598
  O      1.08424370      0.77236428     -6.87852519
  H      0.08669195     -3.15564235     -2.59304927
  H     -5.62410617      0.89951613     -4.61588525
  O     -5.78474367     -0.83723747     -4.52059698
  H      0.61896295     -4.40889861     -3.32375669
  H      0.16307150      1.46992957     -0.40694058
  O     -4.25105791      0.20902888     -1.23118149
  H     -1.13411527      3.33288014     -3.68801312
  H      0.19447272      0.49624677     -1.58771040
  O      0.03522204      0.39656648     -3.34115072
  H     -1.01527222      3.50177569     -2.15071662
  H     -2.56055978     -1.53703072     -3.29610697
  O     -4.16708250      2.72402737     -2.25548063
  H     -0.76376856     -2.57502741     -0.44108965
  H     -3.10247652     -0.30889578     -2.51502271
  O     -2.23526744     -2.67564267      0.78690899
  H      0.17573968     -1.42753198     -0.84360779
  H     -3.41561087      2.95924436     -0.36780136
  O     -5.46218191      1.85945743     -4.66190971
  H      0.44285834     -2.33539494     -4.81720195
  H     -2.79673020      2.00065870      0.67692172
  O      0.13081321      0.52890062     -0.62057271
  H      0.41842386     -0.82252282     -4.60068207
  H     -1.14332230     -1.38504105     -6.28631536
  O     -2.50148985     -0.57759906     -3.22089424
  H     -3.73235553      1.48126619     -5.33616691
  H     -2.28905857     -0.36663191     -6.46467350
  O     -2.83169924      2.92419072      0.39871285
  H     -2.76686020      0.48285922     -4.67295603
  H     -3.32806759     -2.24209681     -6.24916286
  O     -1.99607527     -1.25267616     -6.71932438
  H      1.00612760     -0.08616572     -6.43760751
  H     -4.42474377     -3.28132586     -6.58744963
  O     -4.06052132     -2.76412484     -5.87395753
  H      0.95590351      0.59387264     -7.80825052
  H     -1.78389907     -3.57366639     -3.61607577
  O     -2.71931545     -3.36475363     -3.50190524
  H     -5.22722010     -1.48012306     -4.97274762
  H     -3.14447948     -3.30700145     -4.36790205
          69
 Energy    -248.28806970155441     
  O     12.46861176      9.29351002    -15.61034724
  H     13.02181610     10.05222855    -15.39570115
  H     16.80969661      4.70238550    -14.03946540
  O     16.58160870      5.67861604    -12.58448991
  H     12.11789079      8.95318131    -14.77739920
  H     19.54335601      7.14076867    -14.69302959
  O     17.41439905      9.96603737    -11.58120817
  H     17.29724903      6.18285346    -12.17408313
  H     20.98495572      7.45677397    -14.21700808
  O     16.89510466     10.95835377    -16.24105749
  H     15.80160335      5.74968229    -12.01583672
  H     16.12296515      7.11549025    -13.63646617
  O     14.12881773      4.89831435    -15.41962341
  H     16.51577123     10.07665132    -11.92597735
  H     16.80283749      8.31444800    -14.35503871
  O     14.52519107      8.88796498     -8.70119178
  H     17.35598483     10.08908583    -10.62559665
  H     11.79915197      7.15031838    -13.29954533
  O     14.36972219      6.09538812    -11.01684929
  H     17.43635121     10.57260974    -15.53017645
  H     10.45803029      7.91777089    -13.24834795
  O     14.93543592     10.07092219    -12.78869426
  H     17.47110029     11.53413110    -16.73923795
  H     18.19983371      7.15438723     -9.77876677
  O     16.90868769      8.22959567    -17.36821808
  H     14.14379328      5.72574630    -15.92087108
  H     17.66659273      8.18864767     -8.77179803
  O     15.36660676      6.15857066     -8.39622831
  H     15.04649339      4.61297720    -15.36061828
  H     13.10856881      5.30643301    -13.99131517
  O     18.48513757      6.51407696    -15.85128126
  H     14.68140610      7.96113651     -8.48165354
  H     13.18083607      5.56353862    -12.46099153
  O     16.91830717      4.31690983    -14.92627003
  H     13.94788674      8.88504260     -9.47619734
  H     18.07694305      9.95869421    -13.31228382
  O     20.06654419      7.59002642    -14.00128526
  H     14.64545415      5.98654070    -10.09836332
  H     19.00387150      9.10210577    -14.21644948
  O     15.95001964      7.93285391    -14.11978171
  H     13.98590846      6.98108373    -11.08413500
  H     19.18119181      7.38827226    -12.35247207
  O     11.40383443      8.04047630    -13.23906785
  H     15.19793576      9.26021348    -13.25634301
  H     18.13308820      8.25775405    -11.61082515
  O     17.81065906      7.24246201     -8.89944386
  H     14.67865453     10.69950806    -13.47255896
  H     16.07625055      9.67260857     -8.76203403
  O     12.60759207      5.63794024    -13.23142261
  H     16.89058842      9.16498277    -17.14584926
  H     17.10119477     10.63828669     -8.11902660
  O     18.27850531      9.73891597    -14.23230433
  H     15.99846566      7.92342165    -17.24084557
  H     14.93028802      7.60858517    -15.59955454
  O     18.54683387      7.38236311    -11.62497433
  H     15.39666867      5.56595858     -7.65024609
  H     13.63988689      8.07496088    -16.29617278
  O     16.99415565      9.99632819     -8.81558531
  H     16.27811141      6.46434085     -8.55205852
  H     13.80275045      9.24620027    -11.67620102
  O     14.40779332      7.49843733    -16.40869149
  H     17.94921851      5.73520292    -15.66281295
  H     12.46737157      8.48959570    -11.77253798
  O     13.20947302      8.66381837    -11.17990678
  H     17.97949783      7.07164960    -16.45995958
  H     15.21066893     11.29942824    -15.58641301
  O     14.37122904     11.48053234    -15.13481872
  H     17.19156631      3.41126187    -14.80078138
  H     14.08810536     12.34632801    -15.42003539
          69
 Energy    -248.28803970012876     
  O     13.46409996     11.41125499     -8.70704648
  H     13.53939391     11.36299187     -7.75788206
  H     11.00559367     13.82128037    -13.17585083
  O     11.00460893     11.39525465    -15.29729659
  H     14.05848998     12.12564074     -9.00099541
  H     15.99436733     13.19975018    -16.65033775
  O     14.09235570      9.22983700    -10.48677753
  H     11.51049815     11.71719201    -16.05200705
  H     16.95440014     13.47928389    -17.83276440
  O     18.20753905     13.26887197    -13.23338667
  H     10.73939899     12.17613184    -14.78557339
  H     13.08373970     13.36207689    -12.50438429
  O     11.35723312     11.97645488    -10.46547062
  H     13.96498515      9.92547063     -9.83117944
  H     13.04481139     14.67688303    -11.71151403
  O     11.59129162      9.43844018    -11.71868508
  H     13.22519071      9.09383334    -10.89104290
  H     13.85297788     11.45603681    -13.49827961
  O     13.00723685      9.97706945    -14.04138653
  H     19.14540771     13.43250088    -13.18559518
  H     15.01161674     12.12396238    -12.68364851
  O     14.61588813     15.63898902    -11.25625055
  H     18.07250788     12.57820855    -13.90886681
  H     17.46340497     11.82456947    -15.87933750
  O      9.44701229      9.85099091    -13.40256457
  H     11.98018090     11.78560612     -9.75347772
  H     16.98952714     10.71087254    -14.91910301
  O     14.65511452     13.71889218    -15.58676245
  H     11.73991518     12.70542632    -10.97604829
  H     12.55217048     12.44468218    -18.17276447
  O     14.91182535     10.54008004    -17.26434752
  H     10.80305565      9.37276584    -12.27786372
  H     13.49586194     11.59728162    -17.28833654
  O     10.25770568     13.49612150    -13.69466439
  H     11.52992604     10.30138761    -11.28642766
  H     15.53879975      9.05729304    -11.41928440
  O     16.66115406     12.79790622    -17.23420213
  H     12.59119422      9.67671129    -13.22304102
  H     16.89907868      8.34003306    -11.58838279
  O     12.48338006     13.96714835    -12.04067897
  H     12.31254745     10.41550679    -14.55290723
  H     14.67485620      9.54835228    -14.53593895
  O     14.26357401     12.29940850    -13.26676622
  H     15.14279894     15.50344797    -12.06328227
  H     15.96768453      9.17428141    -13.81097354
  O     17.67662122     11.37678558    -15.05060593
  H     14.71431500     16.55738611    -11.01939651
  H     16.58452018     10.88407521    -11.70818781
  O     12.82103332     12.29902845    -17.26896556
  H      9.84452487     10.27478679    -14.17380712
  H     17.16745335     12.29286270    -12.08187466
  O     16.36328200      9.04615191    -11.94011950
  H      9.08061350     10.56798596    -12.86952965
  H      8.13887424     12.23437338    -11.02976451
  O     15.62903556      9.44439440    -14.67340117
  H     14.56804961     13.19970951    -14.77130057
  H      9.66613545     12.02279577    -11.11597456
  O     16.47004770     11.83575216    -11.59431399
  H     13.92242948     13.44235872    -16.15022259
  H     16.83300560     14.58628963    -13.44532239
  O      8.85037681     12.06499072    -11.64203700
  H     15.18667086     10.02932356    -16.49372350
  H     15.58377367     14.86699195    -14.30690671
  O     16.06890459     15.17027193    -13.53036939
  H     15.60650439     11.19536791    -17.40858476
  H     14.95471220     14.13257243    -10.10600617
  O     15.13257037     13.29735003     -9.65992179
  H      9.63847646     13.12710153    -13.05322316
  H     15.67891510     12.78154995    -10.27091882
          69
 Energy    -248.28742420179219     
  O     18.07111814      8.61431001    -10.34312553
  H     17.17384849      8.96555797    -10.41918785
  H     16.34248578     11.20464427    -10.54755864
  O     14.70665440      7.58436975     -8.98804444
  H     18.03161511      7.75639543     -9.90173483
  H     19.25989249     10.46495327     -8.16649666
  O     20.10968864      3.35331176    -11.64845446
  H     13.88097896      7.39063017     -8.55196588
  H     19.23206846      9.38075840     -9.25043254
  O     20.96740194      7.40022986    -12.86152826
  H     15.26139235      8.05393554     -8.33732959
  H     18.68549663      9.89700766    -13.05567503
  O     16.28838229      8.99914551     -7.32348571
  H     20.32333669      2.44999067    -11.43173660
  H     18.53146822      8.78488850    -12.00567018
  O     17.64250811      4.84065224    -14.64438492
  H     19.13933076      3.40530523    -11.71749545
  H     20.37177821      4.33816692    -13.29354460
  O     22.84201115      9.08424244    -11.58601279
  H     21.68340586      7.97298677    -12.56084637
  H     20.61598436      5.79751265    -13.74148073
  O     18.66869111      7.66986197     -6.82927852
  H     20.19348101      7.96544208    -12.99610822
  H     17.38825066      3.95346582    -12.95566080
  O     21.96627577      8.01729329     -9.26388729
  H     17.04727304      8.48090013     -7.01747276
  H     16.86892394      4.26182081    -11.53943695
  O     18.27074560      6.11910529     -9.11209029
  H     16.63102149      9.88753415     -7.46465634
  H     15.04547308      8.99633707    -10.14945637
  O     17.72404630     11.50039717     -7.80965278
  H     18.60558628      4.89760314    -14.50698938
  H     15.09622663      9.43538537    -11.63819929
  O     16.99054084     11.90593550    -10.38846590
  H     17.50841839      4.44505576    -15.50115436
  H     14.17801149      9.07390710    -14.08739794
  O     19.81571599      9.80393517     -8.59895113
  H     22.63116243      8.69264036    -10.71809326
  H     15.20320500      8.17187601    -13.37533064
  O     18.66800744      8.93843031    -12.95608956
  H     23.79050691      9.17146140    -11.62665282
  H     21.61186448     10.49387733    -11.23307423
  O     20.27527327      4.94314986    -14.03934414
  H     18.55315285      6.99800249     -7.51791974
  H     20.62256475     10.76988222    -10.08305564
  O     17.43374021      3.65816533    -12.03751953
  H     19.23275472      8.34361520     -7.22119094
  H     17.34813461      7.72730417    -13.28586475
  O     15.47190459      9.60713474    -10.76285980
  H     21.29018137      8.59600941     -8.89088129
  H     16.93433705      6.33217843    -13.84465672
  O     14.53005244      8.85607538    -13.22854739
  H     21.52887063      7.19154373     -9.51068067
  H     19.07548586     12.49692422    -13.11110180
  O     20.91084777     11.09116797    -10.94539812
  H     19.08866560      5.95016634     -9.60200655
  H     19.62850123     11.55426042    -12.01523893
  O     16.63069439      7.07818990    -13.31276411
  H     17.52894837      5.82989589     -9.65875669
  H     15.52324667      6.37066798    -10.22681045
  O     18.86022915     11.72782122    -12.59010679
  H     17.46798700     11.71629572     -8.72450683
  H     16.22641855      6.33491985    -11.61674640
  O     16.08087832      5.83292200    -10.80268979
  H     17.58946599     12.29038609     -7.29309790
  H     20.69837598      6.39642301    -11.33296446
  O     20.62046303      5.85927832    -10.53213989
  H     17.58013463     11.90321002    -11.15063697
  H     20.56659019      4.94036423    -10.82450042
          69
 Energy    -248.28737987198838     
  O     10.34094510      3.32445947    -22.28660541
  H     10.92963515      3.98118772    -21.88604807
  H      8.47689217     -0.99823239    -21.41053010
  O     12.19415951      4.86338969    -20.95702061
  H     10.89759668      2.70772683    -22.78465692
  H     11.52050648     -2.12339988    -17.26127444
  O     10.66906396      6.04475227    -18.88578229
  H     12.88295685      5.19269184    -21.54811877
  H     11.24028325     -1.81096182    -18.74935660
  O     10.65925787      1.62999296    -20.09963566
  H     12.63545728      4.31686074    -20.29208043
  H     13.09887304      3.82308953    -18.16863432
  O     12.92265956      0.67999103    -19.01177632
  H     11.14851243      5.80779061    -19.68944069
  H     13.42079743      2.46048100    -18.84725580
  O     14.28683554      3.09358932    -23.94976544
  H      9.78553764      5.65615355    -18.97132527
  H     12.08707787      5.13171844    -16.17749898
  O      8.89238280      0.10040513    -17.74246477
  H      9.90124741      1.03966756    -20.18836331
  H     11.48010149      5.22298938    -17.60061363
  O     11.01268067     -2.43129761    -20.35201878
  H     10.61888047      2.24352806    -20.84180372
  H     11.56197660      0.68414333    -23.63766082
  O     10.81681641     -0.95125992    -23.78041879
  H     12.12822509      1.02556980    -19.45539431
  H     12.66954811      1.09850176    -22.65395416
  O      8.15546440      0.34582319    -20.36067280
  H     12.59527786     -0.04025850    -18.46186671
  H     13.38901317     -1.38938331    -22.11036587
  O     14.32987469      5.46980233    -22.64314405
  H     13.48181378      2.56034425    -23.91361670
  H     13.69259008     -2.78611292    -22.70245867
  O      8.75979617     -1.75232101    -21.95640571
  H     14.96870379      2.57903838    -23.50104045
  H     15.04393654      3.80095075    -19.94673516
  O     11.37554963     -1.40607709    -17.87295344
  H      9.15973915      0.98768231    -17.46487935
  H     15.33256945      4.59638426    -21.24176673
  O     13.54065858      3.41601766    -18.92521592
  H      9.69451079     -0.43501844    -17.71075658
  H     10.61286108      3.27948238    -17.23088351
  O     11.93162001      4.62878985    -16.97185260
  H     11.72513819     -2.45375269    -21.00223239
  H     10.25276805      2.39647181    -18.44985442
  O     12.07599355      1.44606709    -23.33265262
  H     10.20469198     -2.28206367    -20.85763973
  H     14.73648061      0.68037147    -21.72149928
  O     12.98534707     -2.22995514    -22.38658399
  H     10.04818328     -1.19076819    -23.24841330
  H     13.67467719      0.33353934    -20.62159493
  O     15.70422742      3.94016097    -20.63939580
  H     11.54093341     -1.49071110    -23.43837221
  H      8.62446647      3.14313207    -21.78167394
  O      9.93638502      2.68953933    -17.58250114
  H      7.87129024      1.23709260    -20.59795297
  H      7.10109876      3.29339973    -21.98841721
  O     13.91631088      0.20097197    -21.54868108
  H      8.22915022      0.26386900    -19.39623095
  H     17.06578819      1.60440720    -22.28553006
  O      7.75806817      2.97561963    -21.37329996
  H     14.57122241      6.18800388    -23.22120363
  H     16.04525368      2.52885655    -21.57849339
  O     16.13244586      1.76002860    -22.17116344
  H     14.29249508      4.66407962    -23.19000541
  H      8.04157306      4.06124100    -19.78402650
  O      8.32493366      4.55141996    -19.00508150
  H      7.98015228     -2.27373017    -22.12945549
  H      8.71683909      3.89667290    -18.41168722
          69
 Ord_Energy   -248.287308    
 O   -2.75539851       2.46311212       7.94027758    
 H   -2.34298897       2.55119920       8.79662704    
 H   -3.52688861       1.88003778       8.05886555    
 O   -3.98294854      -1.59750140       6.74818373    
 H   -3.75718164      -2.47483802       7.04527950    
 H   -4.60742712      -1.70602679       6.00881004    
 O   -7.71684122      0.258665025       4.52231836    
 H   -6.92855692      0.755255640       4.79189634    
 H   -8.38577366      0.440579206       5.19473410    
 O   -11.4932203       1.79035389       8.24529648    
 H   -11.3658867       2.74853635       8.12337208    
 H   -12.4335489       1.63445163       8.24914455    
 O   -10.8297586       4.40766716       7.92131710    
 H   -10.2206821       4.38157988       7.17033911    
 H   -10.2904387       4.64190674       8.68715000    
 O   -5.66169262      -1.73625696       4.62549543    
 H   -5.09712648      -1.28266406       3.98210526    
 H   -6.50427675      -1.26648736       4.59881783    
 O   -9.25473785       1.16874194       6.64314938    
 H   -8.57006454       1.15689266       7.32762623    
 H   -10.0982151       1.24401689       7.10586786    
 O   -3.26897097       3.33761096       2.41854072    
 H   -2.62462902       2.70767999       2.76353884    
 H   -3.87368298       2.82187915       1.86954761    
 O   -5.02172565       4.12226105       4.38291264    
 H   -5.17960835       3.22989607       4.73103762    
 H   -4.35188627       4.01852703       3.69251156    
 O   -7.04540920       4.15045691       8.11612320    
 H   -6.14738846       4.36633110       7.82710314    
 H   -7.61625481       4.14263058       7.33437824    
 O   -7.55354166       1.94590175       2.27531576    
 H   -7.74354887       1.29604268       2.96524024    
 H   -7.66818714       2.81492114       2.67772174    
 O   -4.11951256       3.26867811E-02   3.14316916    
 H   -3.19584751      0.309755713       3.18486857    
 H   -4.50562859      0.487097234       2.38238907    
 O   -2.01530552      0.472430229       6.02000141    
 H   -2.60006261     -0.254817486       6.26073313    
 H   -2.17249060       1.18096161       6.65671968    
 O   -7.36260748       1.44760084       8.69394875    
 H   -8.04264069       1.44490719       9.38254166    
 H   -7.16688061       2.37896132       8.51029491    
 O   -9.50837231       1.89008880       10.3460760    
 H   -9.37779617       2.84585929       10.3986034    
 H   -10.2602806       1.76140130       9.75456905    
 O   -1.59533167       1.20175755       3.45240593    
 H  -0.699746549       1.00179279       3.19347334    
 H   -1.67045808      0.973767459       4.39646721    
 O   -8.92626572       4.70107031       10.0385733    
 H   -8.67929077       5.40501499       10.6326571    
 H   -8.18399906       4.58340216       9.42112827    
 O   -7.59180880       4.50007725       3.56770325    
 H   -7.70338345       5.32145977       3.09542060    
 H   -6.65796804       4.45435905       3.83821988    
 O   -5.35330772       1.54647958       5.22708273    
 H   -4.83207655       1.01048028       4.61366892    
 H   -5.12539387       1.29373431       6.12921000    
 O   -8.82848835       3.88025260       6.00622463    
 H   -8.48229694       4.08350229       5.12956095    
 H   -8.97592163       2.92591453       6.06223917    
 O   -4.85299063      0.758512855       7.91001558    
 H   -4.67142344     -0.158200547       7.66609621    
 H   -5.75172329      0.837908983       8.25904465    
 O   -4.53885746       4.59004784       7.12217093    
 H   -3.83941841       3.96535683       7.34399033    
 H   -4.61164331       4.58613682       6.15833664    
 O   -5.15685225       1.61171627       1.08517861    
 H   -6.04257965       1.74838400       1.46712685    
 H   -5.28285980       1.44014323      0.155965984    
          69
 Energy    -248.28727460250798     
  O     15.79485189     13.31767742    -12.40525487
  H     16.10031745     13.00448160    -13.27673617
  H     19.92049447     11.67799994    -13.42272001
  O     14.36504254      6.81765798    -13.89058717
  H     15.81560975     14.27030590    -12.42898107
  H     15.23481367      8.29666047    -13.31665118
  O     16.53518148      6.40705878    -10.24051179
  H     14.45686520      6.99252914    -14.83502836
  H     15.55416321      9.61114729    -14.05780688
  O     18.38024663      8.51929518    -13.60171538
  H     13.51673097      7.15647344    -13.56994192
  H     14.40855648     12.12692745    -12.28526929
  O     12.43129080      7.20484983     -8.94655080
  H     16.21654049      5.89986362    -11.00127162
  H     14.44028914     10.61604990    -12.57976765
  O     12.20608515      7.92238155    -12.61215451
  H     15.97607299      6.14372091     -9.49887854
  H     13.88622208      4.56056473     -9.84757704
  O     16.18596550      9.14984613    -10.49294561
  H     18.80829745      9.38382713    -13.62560765
  H     14.22874165      4.32539340    -11.32995149
  O     11.27936853      5.72562673    -11.14515438
  H     17.44751499      8.70283148    -13.42947610
  H     12.23359962      9.35175760    -14.00507744
  O     17.60691614      6.60584960    -15.50678845
  H     11.89921156      6.73972072     -9.60305506
  H     12.77912185     10.76177629    -13.79187151
  O     15.24004730      7.43174542    -16.50777042
  H     12.67936673      8.04507741     -9.35562034
  H     18.22872972      6.39412510    -11.16766735
  O     18.09073998      4.45350483    -13.68223368
  H     11.76168434      7.16729459    -12.20395372
  H     18.81169050      7.14604375    -12.39056161
  O     19.09828829     11.19798666    -13.47388714
  H     12.60669510      8.41547379    -11.88309230
  H     15.16319948      5.52874005    -12.98861049
  O     15.66268035      9.15809013    -13.20979539
  H     16.05954047      9.19693773    -11.45222419
  H     16.40472512      4.59831941    -12.87985177
  O     13.85255192     11.33853233    -12.32238220
  H     16.38893208      8.22315196    -10.30384080
  H     14.57236782      5.37917208     -7.45651273
  O     13.51292243      4.25630895    -10.68352226
  H     12.05268335      5.14365702    -11.03205626
  H     13.81529833      6.22686886     -8.50541180
  O     12.53702161     10.13149627    -14.48433880
  H     10.50883134      5.16433763    -11.13637763
  H     17.54112295     11.81146909    -14.48321030
  O     18.87302457      6.32525351    -11.88305879
  H     17.74962544      5.78541963    -15.02041510
  H     16.18454324     11.57812537    -15.21645014
  O     15.61147150      4.88859716    -12.41531666
  H     18.00542941      7.29857762    -14.96285195
  H     13.32056684     10.21416712    -10.90888720
  O     14.57091242      5.62581716     -8.37748428
  H     16.11386875      7.11335544    -16.21438803
  H     14.33442671      9.24670710    -10.28785291
  O     16.69797682     12.22149402    -14.71203137
  H     15.07432594      7.04072861    -17.36130856
  H     16.98315252     12.14139414    -11.41750196
  O     13.38760272      9.37004386    -10.44458293
  H     18.46246755      5.06988412    -13.02436956
  H     17.21625441     10.75532964    -10.75763629
  O     17.66249972     11.49573520    -11.18662138
  H     18.68663631      3.71116014    -13.73217090
  H     15.14179816      9.28702624    -16.13421894
  O     15.02927547     10.14044240    -15.69727449
  H     18.65606962     11.30279454    -12.61129829
  H     14.10080726     10.18818361    -15.41789285
          69
 Energy    -248.28725946051043     
  O     14.96376047     10.20102009    -16.83345192
  H     14.66796260     11.09443497    -16.99031554
  H     20.17788664      5.29376350    -16.29956243
  O     13.50302830      3.98727712    -16.34268309
  H     15.70738390     10.26301439    -16.20805828
  H     19.15955216      7.72121101    -16.61463804
  O     17.53894127      6.78391800    -11.84177898
  H     12.69808273      3.61915347    -16.69887293
  H     17.80060917      7.67694100    -15.89150594
  O     19.88165219      6.33750532    -17.76070034
  H     13.56194290      4.90360222    -16.66977571
  H     15.50911977      6.58549908    -16.05309576
  O     17.39305948      6.02605941    -18.70771002
  H     18.37699597      6.80879763    -12.32502408
  H     16.70759836      5.80703025    -15.43890192
  O     13.22628025      7.01622968    -10.20887445
  H     16.96104690      7.42926119    -12.27448519
  H     12.93218460      8.34760617    -14.63674111
  O     13.86819679      4.85885727    -13.66495203
  H     20.45549506      6.55101297    -18.49133894
  H     13.55216261      9.20398931    -15.78502795
  O     15.86326452      8.34559662    -13.37322111
  H     18.99324452      6.18907085    -18.13597160
  H     15.38408229      2.62327394     -9.69271948
  O     17.51765718      4.16670723    -15.18766353
  H     16.77409187      6.76293868    -18.70535515
  H     14.49530175      3.62426932    -10.47113470
  O     12.97329231      4.27936029    -11.05434334
  H     16.90933560      5.24579660    -18.39672431
  H     13.40679755      7.22254287    -16.55616250
  O     16.13121527      3.82982531    -17.56338881
  H     14.15548515      6.80517217    -10.00588932
  H     14.32156254      7.01350749    -17.79775982
  O     20.25342414      4.77368278    -15.48300896
  H     12.87817083      7.47686200     -9.45025333
  H     19.36123364      7.48977066    -14.30517189
  O     18.63111227      8.17471648    -15.95011193
  H     13.74083829      4.47025337    -14.53787647
  H     19.98296177      6.11743952    -14.07435283
  O     16.31042070      6.68340829    -15.52770599
  H     14.78530539      4.69932815    -13.40242046
  H     16.85513870      5.19971787    -12.38435398
  O     12.86172071      8.56487266    -15.57610461
  H     14.94271332      8.18915683    -13.12931145
  H     16.20021120      3.89446424    -11.85932791
  O     15.41491125      3.40726935    -10.23350477
  H     16.03513886      7.75595293    -14.12478593
  H     16.48936680      6.48851020    -10.32429422
  O     13.88429778      6.55376241    -17.07254558
  H     17.23023944      4.08693595    -14.26713039
  H     15.76315995      5.25952469     -9.74275436
  O     19.65466928      6.89198749    -13.60541199
  H     18.47381644      4.29208399    -15.19882114
  H     15.26569439      8.57439587    -19.58864601
  O     16.46268601      4.35885433    -12.66299176
  H     12.88676203      5.17563613    -10.70630556
  H     15.32295202      8.91397273    -18.08417661
  O     15.78279931      6.22375302     -9.71979517
  H     13.12067645      4.38372084    -12.00462931
  H     13.42733859      6.59805018    -13.28078818
  O     15.43915937      8.19736497    -18.72874643
  H     15.22416282      3.73447722    -17.25526171
  H     13.13567955      7.44989997    -12.02323903
  O     13.25749269      7.50337454    -12.97920978
  H     16.66967949      3.78741984    -16.75957055
  H     17.71902575      9.71804471    -15.39304055
  O     16.99017249     10.25874807    -15.05950036
  H     20.99994449      4.19023640    -15.59578129
  H     16.61876969      9.76163287    -14.31652360
          69
 Energy    -248.28719489978988     
  O     12.25848876     12.31360555    -13.67375754
  H     12.15561160     13.22645499    -13.96151890
  H     16.37173764     16.26930498    -10.26238945
  O     12.21688357     14.98473671    -14.73299782
  H     11.69100697     11.76569177    -14.24086816
  H     15.30233294     12.94622018    -16.09408242
  O     14.58773391     11.70522532    -15.06804700
  H     11.38526650     15.45237967    -14.77051303
  H     16.22854751     14.18384241    -16.06903478
  O     16.78169802     10.50046926    -13.69538941
  H     12.55024080     14.93456558    -15.64282067
  H     13.71494477     15.35598849    -13.69463725
  O     10.88947996     10.84624077    -15.49106135
  H     15.26672143     11.30465933    -14.51399469
  H     15.27336212     15.29612010    -13.76938901
  O     13.77357547     10.44955932    -17.44702351
  H     13.81329952     11.88925307    -14.52150519
  H     17.33717487     12.08357973    -13.06650840
  O     15.21730385     13.65845412    -11.15444837
  H     16.28154854      9.91759138    -13.10819937
  H     16.66397333     13.13744634    -12.14895748
  O     15.99211605     17.29962304    -11.63834361
  H     17.00774664      9.99478478    -14.48710662
  H     13.36771757     15.36607160    -18.03476479
  O     16.92013031     14.98460496    -14.57639356
  H     11.24737059      9.97641653    -15.70210166
  H     14.17698880     14.39752472    -17.14232824
  O     18.38316430     16.96535485    -13.19728940
  H     11.03199010     11.39456653    -16.27700962
  H     11.88172958      7.56036306    -16.50012502
  O     17.03423672      9.09440195    -16.08037005
  H     13.24427275      9.67252910    -17.23077934
  H     13.04690777      8.22513964    -15.73029794
  O     16.61884684     15.57774302     -9.62193183
  H     14.02781270     10.83619887    -16.59406374
  H     15.01909654      8.40474430    -11.45432833
  O     15.69356508     13.63429585    -16.65720841
  H     14.85572566     14.25738285    -11.82455583
  H     14.49772245      9.77196723    -11.95844516
  O     14.52278524     15.45096483    -13.17845165
  H     15.63538272     14.21529685    -10.48623629
  H     16.40057264     12.01006381    -17.61553845
  O     17.42374534     12.98464523    -12.72918217
  H     15.35224401     16.79703164    -12.16115174
  H     15.50478043     10.81013543    -17.95447441
  O     13.29528092     14.78298615    -17.28314138
  H     16.78221434     17.36719291    -12.18896808
  H     15.37405040      8.34771599    -15.34219801
  O     12.25270773      8.40623502    -16.26427637
  H     17.15304983     14.23830400    -14.00225380
  H     14.65347622      8.31418601    -13.97353538
  O     14.98447851      8.96890314    -12.22174759
  H     17.44591823     15.73511814    -14.27522566
  H     12.43752511     11.70991177    -17.79279910
  O     16.43181022     11.07884824    -17.86101448
  H     19.14928159     17.50855497    -13.36007505
  H     12.17294001     13.20907219    -17.62103304
  O     14.56960920      8.05400744    -14.89918618
  H     18.64638366     16.29621859    -12.53904706
  H     18.20939236     15.15105456    -10.64697674
  O     11.72679125     12.36032789    -17.69919439
  H     17.70478726      8.52714950    -16.45201012
  H     18.52543970     14.19831567    -11.81506624
  O     18.83099961     15.00123254    -11.37011395
  H     16.87373450      9.79824731    -16.73270248
  H     14.27176483     12.05439026    -11.30486547
  O     13.77326093     11.27847974    -11.59035169
  H     16.53879723     15.96330890     -8.75384235
  H     13.11664911     11.60599228    -12.22051745
          69
 Energy    -248.28715542906340     
  O     15.73993960      5.15611036    -15.27151394
  H     16.10794532      5.67825172    -15.99524102
  H     17.56845101      7.14647303    -16.51572821
  O     17.22740154     11.33468971    -10.40853956
  H     16.27882255      5.35372910    -14.49809167
  H     17.02811511     11.57309127    -14.48129530
  O     17.99722356     10.00252460    -14.06757388
  H     16.74537064     10.57586787    -10.05656527
  H     16.20289135     12.58119309    -13.65745373
  O     10.58847342     10.49623819    -13.04967497
  H     16.58701869     11.88605576    -10.87464586
  H     16.19409704      7.60196537    -13.25074590
  O     17.18492255      6.10112712    -12.90772695
  H     17.20093290      9.53131750    -13.77860029
  H     15.13871030      8.63923495    -12.76123750
  O     11.77709562      7.90587416    -12.74781237
  H     18.54445744     10.13997633    -13.28319119
  H     14.37362031      4.95236273    -11.76480878
  O     15.38198232     12.90818882    -11.88409748
  H     10.76823650     10.41096769    -14.00494843
  H     15.24638258      4.00627596    -10.92353235
  O     14.04067391     11.13975769    -15.44678163
  H      9.70319054     10.83871489    -12.96419824
  H     12.30646688      6.11246298    -12.38135973
  O     13.05538350      4.78045607    -15.20221319
  H     16.54974545      5.56685656    -12.40431751
  H     12.79309763      5.01515856    -13.34561393
  O     14.87438105      8.56057205    -16.03946849
  H     17.67304505      6.62263610    -12.24926802
  H     20.19897975     10.72689410    -11.38256896
  O     12.39460719      7.50547734    -15.44794881
  H     12.00678763      7.77393745    -13.68034858
  H     18.66284281     10.75134867    -11.17583258
  O     16.88147658      6.94676362    -17.17772340
  H     11.23255145      8.70086820    -12.71864886
  H     18.52222402      8.36373738    -14.84080014
  O     16.37544038     12.28221346    -14.55682035
  H     14.56588052     12.45622668    -12.15351003
  H     18.30529824      6.90513554    -14.37925348
  O     15.76652908      8.44157802    -13.46449571
  H     15.14153878     13.81214807    -11.69258416
  H     17.47372872      8.08424400    -10.52045522
  O     15.28709330      4.77645772    -11.48435377
  H     14.84629267     11.64891599    -15.27111257
  H     18.75155096      8.55057988    -11.23902415
  O     12.76496291      5.26460200    -12.41269683
  H     14.33980057     10.27949509    -15.77280208
  H     11.58022816      9.21596616    -15.70951786
  O     19.38772889     10.30488501    -11.65069564
  H     14.02404106      4.88230190    -15.22958447
  H     12.21267295     10.62414914    -15.71212017
  O     18.57741009      7.44283389    -15.13121486
  H     12.84923290      3.97933469    -15.67610170
  H     15.65290734      8.54472396     -8.81671858
  O     18.22420886      7.76825651    -11.03883244
  H     15.19757898      8.49681214    -15.12592032
  H     15.18802307      8.91314315    -10.24213149
  O     11.37398047     10.15483406    -15.60884769
  H     15.51139920      8.08894467    -16.58688840
  H     12.29297088     11.25456149    -12.77087428
  O     15.95733385      8.89790610     -9.64926739
  H     12.48196677      6.54470806    -15.46306502
  H     13.52154192     11.31210351    -13.71832421
  O     13.23987236     11.43761056    -12.79874516
  H     13.25825959      7.85343266    -15.71594538
  H     13.75929126      9.97017218    -11.83900465
  O     13.92840131      9.08818506    -11.48003066
  H     17.32749428      6.82654463    -18.01122826
  H     13.20316848      8.53501571    -11.80069442
          69
 Ord_Energy   -248.287125    
 O   -7.40072680      0.604424119       4.90616179    
 H   -6.68662977      0.770990670       4.27455997    
 H   -7.15259314       1.09901404       5.69703531    
 O   -3.56275964      0.618312716       9.97964478    
 H   -2.91862249      -9.03452784E-02   9.86379528    
 H   -3.17649293       1.40375865       9.56970406    
 O   -2.56339645      -3.47861528       4.96959686    
 H   -3.49044538      -3.35889459       4.68757439    
 H   -2.35828543      -4.40058613       4.83146524    
 O  -0.477458268       4.38508224       7.51835203    
 H   -5.66673316E-02   4.04531479       6.71931696    
 H   -1.10307992       5.05790567       7.21955824    
 O   -1.65692174      -1.42344558       9.31104469    
 H   -2.15728545      -2.08723950       8.80168819    
 H   -1.05445933      -1.90004742       9.87480450    
 O   -1.51361656       5.14302921       3.98211074    
 H  -0.725395739       4.66396093       4.26877069    
 H   -1.84861839       5.59233761       4.76853752    
 O   -2.62879467       5.98757124       6.49010754    
 H   -3.08066010       6.77524137       6.78207684    
 H   -3.27508640       5.26315498       6.53465891    
 O   0.517868876       3.37156439       5.00178766    
 H    7.87727982E-02   2.52710867       4.81127739    
 H    1.42871368       3.27096677       4.73521233    
 O   -4.93641043      0.890867710       3.62853217    
 H   -4.40128517       1.69351029       3.58863449    
 H   -4.64584112      0.432253212       4.43319988    
 O   -4.08357477      -1.31533122       2.17931247    
 H   -3.15354586      -1.30046844       2.42869139    
 H   -4.44833612     -0.485306293       2.51965618    
 O  -0.947407007       1.04405844       4.60520744    
 H   -1.06370747      0.237463668       4.08971786    
 H   -1.07998419      0.790176451       5.53224516    
 O   -3.08419991      -3.07829404       7.75541878    
 H   -4.02148342      -2.83779311       7.76821280    
 H   -2.84983587      -3.20378566       6.82875919    
 O   -5.05408669      -3.07669139       4.08197927    
 H   -5.87217426      -2.75731468       4.47432899    
 H   -4.84765530      -2.49767709       3.33198857    
 O   -4.13371992     -0.111077383       6.09090567    
 H   -4.55586004     -0.848430753       6.54947281    
 H   -3.24670935      -1.29828304E-02   6.45635509    
 O   -5.99906540       1.70735180       7.12551546    
 H   -6.20157385       1.30962145       7.98008299    
 H   -5.32497549       1.13084376       6.73237610    
 O   -7.39659834      -2.05551457       5.43547249    
 H   -7.45618296      -1.10848558       5.21774197    
 H   -8.25214005      -2.43396854       5.25109005    
 O   -3.05662012       2.86614156       4.08365488    
 H   -2.36926460       2.20262122       4.22823524    
 H   -2.60198641       3.69555950       3.87988710    
 O   -1.57145953      0.361305416       7.16132212    
 H   -1.81939685       1.18944633       7.59954071    
 H   -1.45021057     -0.294271678       7.85791349    
 O   -6.15385580      0.101577930       9.44967556    
 H   -6.66098547      0.131808624       10.2561255    
 H   -5.22772598      0.288788468       9.69194508    
 O   -4.19862700       3.70973110       6.48400688    
 H   -3.85684204       3.37919474       5.63961124    
 H   -4.96813726       3.17309833       6.71387911    
 O   -2.41769409       2.66301918       8.39828873    
 H   -1.64993763       3.23861098       8.26615620    
 H   -3.10169315       3.00085735       7.80544758    
 O   -1.40402329      -1.46669984       3.38363791    
 H   -1.76481223      -2.12992620       3.99305797    
 H  -0.774704635      -1.92433953       2.82926726    
 O   -5.62200642      -1.97409678       7.59581900    
 H   -6.32321453      -2.07176113       6.93797159    
 H   -5.91178226      -1.33080006       8.25557137    
          69
 Energy    -248.28711920672885     
  O     10.22879158      9.63461361    -12.28250103
  H     11.00748279     10.18475211    -12.44008459
  H     17.96110941      7.07300164    -16.04818765
  O     14.14124210      7.43093459    -15.49118185
  H      9.97267627      9.27615344    -13.14135102
  H     15.21082857     12.32477408    -14.19345385
  O     17.10398325     10.19466248    -10.10317309
  H     13.91961245      6.79835180    -14.79330729
  H     14.52494303     13.70000802    -14.01568667
  O     12.27132611      9.45970149    -15.29508100
  H     13.43307437      8.08950138    -15.51861543
  H     15.92419095      9.69785602    -13.98024235
  O     15.66107127      5.65617589    -10.05447765
  H     17.31570002      9.24316585    -10.04770263
  H     15.13168656      8.38925049    -14.32219016
  O     13.68806892      5.83386058    -13.26328405
  H     17.41209203     10.59196808     -9.29332540
  H      9.96915898      7.34844691    -10.08087926
  O     14.58576224      9.65490001    -11.25993557
  H     12.43370626      9.89545981    -14.44639731
  H     10.45739735      8.25628752    -11.23680813
  O     16.48090211     10.61146895    -17.14037818
  H     11.39120362      9.06672644    -15.24187052
  H     17.05520160      7.85952306    -13.21630306
  O     16.33118114      4.92594698    -12.80222138
  H     15.85764007      5.21814388    -10.89021990
  H     18.25881255      7.11233356    -13.87752759
  O     16.66171597     11.33890438    -14.43256660
  H     14.82527275      6.12100460    -10.19708683
  H     11.78596691      5.87295338    -13.40113786
  O     16.56960806      7.76205404    -16.85493616
  H     14.53523457      5.37910787    -13.18633410
  H     10.73107314      6.41864377    -12.41682859
  O     18.70882585      6.74066962    -15.52074227
  H     13.58770502      6.33745775    -12.44136282
  H     18.04093213     10.34205098    -11.77557355
  O     14.34880678     12.77610433    -14.17427556
  H     14.94222513      9.31112283    -12.09605788
  H     18.54810712      9.31081127    -12.79377352
  O     15.62737654      8.84752008    -13.63262209
  H     15.35076254      9.94459998    -10.74985825
  H     16.98936586      6.90962847     -9.99734283
  O     10.62565668      7.41905318    -10.76836499
  H     15.53833396     10.83869969    -17.04126776
  H     17.88933615      7.42010859    -11.13626392
  O     17.84341627      7.32631892    -13.02755693
  H     16.77718494     11.01801701    -17.95074321
  H     13.26983670     10.64744021    -16.32830947
  O     10.86060433      6.13885998    -13.33196108
  H     16.88970008      5.71278252    -12.88756836
  H     13.95650604     11.94954414    -15.89172178
  O     18.43964623     10.25617408    -12.65209169
  H     16.83227918      4.20151782    -13.17057049
  H     12.46059857      7.25872302    -10.69057190
  O     17.65929028      7.57465336    -10.21175573
  H     17.40684510     11.05837805    -13.88014033
  H     13.77951531      8.07053578    -10.87214483
  O     13.91155844     11.31140220    -16.61385590
  H     16.83186895     11.11029931    -15.35561622
  H     13.29263193     10.49632659    -12.23192883
  O     13.41090589      7.17720726    -10.83716499
  H     15.69503335      7.54246438    -16.50652164
  H     13.16153961     11.62646140    -13.27865998
  O     12.69559337     10.87443111    -12.89296025
  H     16.56535730      8.71427367    -17.00723915
  H      9.06689525      7.94562920    -15.23933783
  O      9.84282542      8.21161027    -14.75410579
  H     19.39934937      6.52710378    -16.14142027
  H     10.18671660      7.41485756    -14.31060462
          69
 Energy    -248.28696608656594     
  O     13.00145627     13.96629980    -10.86412472
  H     13.02578338     13.07073080    -10.47843086
  H     13.23586221     14.20418324    -15.08751221
  O     14.27087933     12.31232140    -17.67135062
  H     12.60533840     14.53415082    -10.20710766
  H     12.45676482     13.92406796    -12.62281535
  O     15.98388693      9.19997685    -11.09636834
  H     14.08099325     13.03487548    -17.04660027
  H     11.23733291     14.17439834    -13.53462763
  O     13.96741626     10.08783577    -16.01317322
  H     13.93637750     12.58753513    -18.52065244
  H     19.05285057     12.94149145    -14.20442332
  O     15.72495220      6.73656957    -12.46867804
  H     16.13448513      9.80469480    -10.36037453
  H     18.73737379     11.83711210    -13.18187261
  O     16.22495002      6.65069692    -15.13572268
  H     15.04009523      9.27287069    -11.30209519
  H     14.12813912     11.37790789     -9.39158563
  O     15.52177441     12.38650245    -13.23904938
  H     13.97507668     10.79029469    -16.67522068
  H     13.10394944     10.71912379    -10.32830427
  O     13.23083349      9.39947319    -11.60327079
  H     14.89382799      9.85702338    -15.84572613
  H     16.14012212     11.90813191    -17.42988663
  O     16.63168257      9.38220985    -15.61762803
  H     14.76279257      6.66821799    -12.42767190
  H     16.98959306     10.80797966    -16.75398282
  O     18.60198447     13.50200367    -15.99064477
  H     15.96074710      7.49266820    -11.91620172
  H     14.36422183      7.06122104    -15.39100866
  O     13.03978168     11.16396134    -13.67051481
  H     16.13153227      6.65764836    -14.16584462
  H     13.47585883      8.29550976    -15.64160121
  O     13.80734708     14.26985229    -15.85909862
  H     16.70737752      5.86000354    -15.36086866
  H     16.08657907     12.09172655     -9.67469674
  O     12.12584935     13.82452367    -13.52934004
  H     14.66472045     11.95723614    -13.34369737
  H     16.59906615     11.41492342     -8.38309090
  O     19.12546411     12.71608630    -13.26803631
  H     15.59937753     12.69628726    -12.32741554
  H     18.26348959     14.12365577    -12.44646900
  O     13.25079244     11.49805881     -9.77400619
  H     13.10912558      9.99714842    -12.35713041
  H     17.19936951     15.05877426    -13.02570074
  O     17.04487290     11.65895602    -17.20915165
  H     12.99265939      8.51412944    -11.90264216
  H     17.06584286      9.89844440    -12.45341865
  O     13.45989569      7.38996755    -15.30700849
  H     16.59381345      8.42058642    -15.55327754
  H     16.80547784     11.16065941    -13.28580216
  O     16.05780622     11.26942532     -9.15480381
  H     16.98892457      9.70507350    -14.77714826
  H     12.20353175      6.16994875    -12.65831954
  O     17.64069248     14.82560266    -12.20073126
  H     19.26083957     13.81916451    -16.60238981
  H     12.99004721      7.04715048    -13.66243288
  O     17.41835155     10.41438260    -13.18915734
  H     18.08675661     12.82268289    -16.46132903
  H     14.97094954     13.92295365    -10.73188000
  O     12.85995755      6.85871986    -12.71535466
  H     13.27292051     10.81567275    -14.54392731
  H     16.49329148     14.09001135    -11.12158614
  O     15.84403924     13.52100587    -10.67576045
  H     12.58670475     12.00853316    -13.77147108
  H     16.06196472     13.79791906    -14.24373791
  O     16.31898851     14.59199571    -14.73971416
  H     14.67863590     14.53303230    -15.52678091
  H     17.11328329     14.34872300    -15.23232555
          69
 Energy    -248.28693785759936     
  O     17.66018099     10.19689782    -14.69732382
  H     18.35897638      9.54717574    -14.85375071
  H     20.37223034      8.11353410    -14.24579497
  O     21.61618858      8.07717906    -12.87573207
  H     17.92161436     10.67671310    -13.90321007
  H     19.13681760      3.48348450    -13.98947559
  O     15.91343534      7.84756202     -9.20545004
  H     21.10581645      8.52100915    -12.17452299
  H     20.37373693      4.35217465    -13.62961030
  O     13.95921016     10.02927967    -12.32512685
  H     22.49800290      8.43893707    -12.84328049
  H     18.42877801      7.55351591    -13.48162460
  O     15.05060242      9.42933065    -14.90202124
  H     15.12244587      8.39769511     -9.10173878
  H     17.30996933      6.49042871    -13.43118252
  O     12.20708580      7.83053800    -12.71359634
  H     15.64720010      7.11272413     -9.77711571
  H     15.18293083      6.21679910    -14.25372978
  O     18.84779981      5.89199567    -10.66563016
  H     14.11152443     10.07192374    -13.27683260
  H     14.78849783      7.71060620    -14.15150501
  O     14.80130659      6.04678020    -11.05451024
  H     14.81692979      9.72942060    -11.98775766
  H     18.88740633      8.09712493     -7.92451101
  O     21.06954250      5.31335643    -12.28853232
  H     14.77034021      9.62284644    -15.79312715
  H     17.66545696      7.99401435     -8.86269449
  O     16.79199845      4.05175531    -11.07642027
  H     15.98011233      9.71000222    -14.83942381
  H     19.46879120      5.07756905    -15.54940231
  O     17.36788318      2.92176918    -13.44582420
  H     12.85575437      7.31809479    -13.21492103
  H     19.36849864      5.48350139    -17.04227596
  O     19.56900417      8.15438882    -14.78179038
  H     12.65243404      8.67232361    -12.54502601
  H     13.52466093      9.68101191    -10.35333554
  O     19.89893786      3.93727345    -14.36613423
  H     18.87116984      6.54137590     -9.95498206
  H     12.98693662      8.43369863     -9.63483168
  O     17.77233552      7.14894542    -12.89960655
  H     18.49850432      6.35113849    -11.44588864
  H     19.54216820     10.05185926    -11.35754974
  O     14.59119658      6.83172436    -13.80059957
  H     14.77855246      6.36013055    -11.96886267
  H     19.61229087      8.95141962    -10.27383252
  O     18.63532990      8.05229248     -8.84393951
  H     13.90577031      6.15021888    -10.70813131
  H     17.92701628     12.05787742    -11.72416881
  O     19.11785959      5.75160727    -16.16271836
  H     20.38653215      5.41220639    -11.61181749
  H     17.54228134     10.56248400    -11.83172162
  O     13.54117885      9.21578584     -9.50961115
  H     21.35638738      6.21018200    -12.49516097
  H     17.40539755      5.47600442    -15.36100990
  O     20.09104130      9.33445724    -11.01731170
  H     17.55332475      4.58123559    -10.80191215
  H     16.84475727      4.42680487    -14.36520889
  O     18.22346430     11.21806298    -12.06632802
  H     16.02874080      4.64120534    -11.02576823
  H     11.37550022      6.36775193     -9.96599186
  O     16.67574513      5.29542205    -14.75577098
  H     17.08920226      2.01052665    -13.46372009
  H     12.06004880      7.12471608    -11.13238442
  O     12.19173016      6.78376672    -10.22845313
  H     17.15966346      3.26208160    -12.55666637
  H     16.32062352      8.80344742    -10.69407348
  O     16.49565101      9.18969716    -11.56010733
  H     19.51846803      7.35581770    -15.32391817
  H     16.89315401      8.49108763    -12.10027804
          69
 Energy    -248.28682960939403     
  O     -2.90870601      3.43948189      5.10314123
  H     -2.61306721      4.27819064      5.44859794
  H     -1.64709655      4.25699750     -0.78998416
  O      1.22639574      2.77781038     -0.18837874
  H     -2.71707088      3.44913718      4.15007830
  H     -4.72919612      0.92239713      5.38282386
  O     -6.06755379      1.41312805      1.32301154
  H      0.45452548      3.17994029     -0.62718239
  H     -4.50909293      2.44192277      5.39296739
  O     -2.65370249     -1.25140007     -2.44854475
  H      1.98268493      2.96069354     -0.73831276
  H     -3.47770874      5.79665870      0.21131693
  O     -0.25100464      0.48575844      0.59495537
  H     -6.47175008      0.66367915      0.86569674
  H     -3.68722188      4.27637416     -0.00723240
  O     -4.76746939     -2.84031173      3.70365307
  H     -6.52718511      1.50101932      2.16770420
  H     -6.56653157      1.50455477      4.45165496
  O     -6.98187245     -1.45764548      2.99542324
  H     -2.05410229     -1.60517406     -1.76558174
  H     -8.08783086      1.64677609      4.21495986
  O     -1.39840921      0.98817426      5.32623365
  H     -2.35400581     -1.59665266     -3.28465154
  H     -2.54001462      3.90738725      1.75833031
  O     -2.41178459      1.22757419     -1.10992648
  H      0.33739693      1.18283234      0.27863004
  H     -1.27898191      3.31520657      2.45961883
  O     -7.18176723     -0.90590143      0.20817559
  H     -0.13050123      0.44474411      1.55209726
  H     -5.18733202      2.46404989      0.10591601
  O     -3.21691747     -1.91666679      1.51781939
  H     -5.59804092     -2.38857166      3.46633293
  H     -3.90430641      2.25224144     -0.73486852
  O     -1.05733080      3.68518768     -1.29512521
  H     -5.00564474     -3.69929898      4.04057650
  H      0.61268001      2.35466439      2.89384408
  O     -5.19515296      1.76743911      5.45876683
  H     -7.12334498     -1.36730353      2.04449139
  H      0.84941012      3.19193269      1.62342598
  O     -3.05879795      4.94799156      0.32040819
  H     -7.12510397     -0.57969584      3.36871921
  H     -0.24500243      0.67369570      4.07395416
  O     -7.29067989      1.28406251      3.83860858
  H     -1.81656351      1.85482466      5.38262664
  H      1.06146106     -0.05850268      3.70135931
  O     -2.24802511      3.29867356      2.44717355
  H     -2.12775824      0.35497654      5.26854129
  H     -3.61744869     -0.00096126      3.89021264
  O     -4.57697009      2.90626386     -0.49738757
  H     -2.54275990      0.45750348     -1.67534562
  H     -4.01107637     -1.34316997      4.55304916
  O      0.49269719      3.23746670      2.51975041
  H     -1.79588373      0.95737610     -0.41544438
  H     -4.24607633     -1.64348663     -1.45497849
  O      0.39307650      0.52656561      3.35411322
  H     -6.37372675     -1.26993960     -0.19841020
  H     -4.31463658     -1.94534811      0.04950812
  O     -3.68795883     -0.45664095      4.74477239
  H     -7.89034669     -1.04166648     -0.41426800
  H     -1.78166686     -2.15340157      0.34657397
  O     -4.86223029     -1.83888453     -0.74109362
  H     -3.66654983     -2.35033326      2.25236241
  H     -0.64747110     -1.20743275     -0.06576600
  O     -1.11957154     -2.00462053     -0.34313992
  H     -3.21091866     -0.96839165      1.71462152
  H     -2.99394329      1.59284097      2.27176751
  O     -3.49277209      0.76674303      2.25259434
  H     -1.54177627      2.85574257     -1.41214178
  H     -4.37154203      0.97769130      1.90918518
          69
 Energy    -248.28667356870557     
  O     12.37234916     11.36877852    -17.19656164
  H     13.04884916     11.15448203    -17.85080777
  H     18.82689872     10.64225642    -14.91309407
  O     19.06079691      9.17289453    -11.98447133
  H     12.83355347     11.78733612    -16.45877348
  H     15.21463401     11.57099338    -16.14208212
  O     18.17333755     12.30202690    -15.56829883
  H     19.95903797      9.22466352    -11.66931580
  H     15.50329964     10.96054901    -17.55052794
  O     15.82542883      5.36471629    -13.57130669
  H     19.08436270      9.38339965    -12.93572190
  H     14.25592923      9.53452573    -13.13943065
  O     14.73200140      9.75667150     -9.70649388
  H     17.41730613     11.96973295    -16.08234526
  H     14.81369148      8.22666673    -12.51042644
  O     14.20580279      6.61387481    -11.66054711
  H     18.57129828     12.99741123    -16.08601239
  H     11.42262528      9.91037292    -17.04905321
  O     12.65171241     10.36009081    -13.38286821
  H     16.17900750      4.48257297    -13.65393462
  H     10.13057479      9.12618059    -17.38604684
  O     13.43966981      7.91736265    -18.05128890
  H     16.48484698      5.87849725    -13.07047574
  H     18.06974696      7.55788120    -11.99434963
  O     15.82372050      7.10992013     -9.56477894
  H     15.12754522      8.89711305     -9.51822962
  H     17.06255026      6.88531416    -11.05324866
  O     16.37909047      8.83052137    -15.39480775
  H     15.41010633     10.24563154    -10.19063414
  H     11.58887573      7.46627999    -12.92510074
  O     14.48396158      6.85627427    -15.62494624
  H     13.24890755      6.70156037    -11.77436598
  H     11.65934306      8.10501978    -11.51173818
  O     18.93036023      9.73019366    -14.61555771
  H     14.56574583      6.03223316    -12.34029257
  H     16.97952702     12.66846715    -14.05855272
  O     15.91702689     11.24686306    -16.72717197
  H     12.35286311      9.56329799    -13.84513812
  H     16.41000276     12.13124276    -12.73079826
  O     15.06233394      9.02312290    -12.99326872
  H     12.39575900     10.27995121    -12.45479061
  H     17.56422750     10.27879950    -11.54181302
  O     11.00616733      9.02995645    -17.02191606
  H     13.80784518      7.40712510    -17.31913409
  H     16.12670061     10.09794048    -12.05311016
  O     17.49443768      6.78823743    -11.91069364
  H     12.54566732      8.16429337    -17.78276051
  H     14.54084287     10.29424889    -19.83552981
  O     11.59002003      7.26273336    -11.97918102
  H     15.16505594      6.87290365    -10.24350447
  H     14.15173744      9.40516670    -18.63063851
  O     16.21794946     12.72234009    -13.47016382
  H     15.72363139      6.48143539     -8.85403715
  H     11.63494536     10.24360161    -10.04831622
  O     16.69171502     10.68923055    -11.53028065
  H     16.20763569      9.64460090    -15.88608898
  H     13.08160256      9.78014571    -10.32185953
  O     14.44507231     10.29784204    -18.88714419
  H     15.97297177      8.93034903    -14.51892298
  H     13.44790493     11.59125905    -14.41176458
  O     12.18042191      9.79510099    -10.68955808
  H     15.16126454      7.54940526    -15.66928400
  H     14.70281143     12.49454815    -14.41819698
  O     13.98570420     12.16129574    -14.97955336
  H     14.85313438      6.20123051    -15.02279288
  H     12.88333230      7.57381764    -14.95842575
  O     12.05604445      7.98042684    -14.66656474
  H     18.14806691      9.26452783    -14.94100360
  H     11.58640066      8.27237978    -15.45852533
          69
 Energy    -248.28619749349707     
  O     19.51743059     12.64032113    -19.28633214
  H     19.17315830     12.06353034    -18.59302037
  H     14.04731301     12.25750607    -14.41012184
  O     16.76405715     18.13248913    -15.00395923
  H     20.32635805     13.03050869    -18.92341338
  H     19.83053032     16.53315068    -14.75265273
  O     16.03918453     14.07743109    -13.12164209
  H     17.25684426     18.20527847    -14.17700787
  H     19.75070437     17.45961072    -13.51719475
  O     16.35110966     13.49093568    -17.36700035
  H     17.32919509     18.49843753    -15.69472024
  H     18.90172479     12.66482403    -14.05899260
  O     14.85546523     11.58955928    -15.84359117
  H     16.74712198     13.43122915    -13.23800727
  H     18.68620555     12.66134084    -12.53101194
  O     21.60420964     13.83057479    -17.90156184
  H     15.19681711     13.60213880    -13.17099075
  H     17.53085399     10.92708120    -14.15636378
  O     21.12135248     18.40565498    -16.39480300
  H     16.64436717     13.86864161    -18.20365424
  H     17.19565703      9.42314304    -14.28055271
  O     17.64991185     15.70937405    -11.54188652
  H     16.22447746     14.22814969    -16.75127819
  H     18.11372809     19.72541040    -17.75793964
  O     20.07307811     13.19612097    -15.45526640
  H     15.57943314     11.04471588    -15.51178792
  H     18.49123101     18.22767351    -17.74954059
  O     17.62388302     14.48499649    -19.74417467
  H     15.25041140     12.21169118    -16.46726898
  H     21.07599728     15.40914266    -13.42781023
  O     21.68809528     16.65141761    -18.38428787
  H     21.70197639     14.78713534    -17.98250483
  H     21.06798077     13.96262542    -13.96786909
  O     13.75216035     12.65718326    -13.57413083
  H     21.32572203     13.65658361    -16.99672868
  H     18.23426851     18.77424173    -11.89658366
  O     20.37147154     17.00041101    -14.09680035
  H     21.03064185     18.00535607    -15.51932413
  H     18.03310165     17.26444946    -12.16887247
  O     18.29769860     12.36812702    -13.36574980
  H     20.25674136     18.78248814    -16.59839760
  H     20.26122677     13.95233746    -11.86049536
  O     17.16538024     10.25204337    -14.75162955
  H     16.96236953     15.22013572    -12.01463671
  H     20.07776698     13.35889545    -10.44127711
  O     18.42003611     19.02041895    -17.19181493
  H     18.32469441     15.05852058    -11.31831879
  H     18.00428295     10.94584840    -16.31126591
  O     21.24870014     14.48983252    -13.18058129
  H     19.61580359     12.55131756    -16.01381334
  H     17.66167619     12.25464635    -17.06277861
  O     18.28805577     18.11117439    -12.57940428
  H     19.66313067     14.05686948    -15.64466358
  H     17.96599361     15.55621431    -15.73027341
  O     19.60106347     13.62201987    -11.22359275
  H     18.32279161     13.81041479    -19.65195921
  H     18.94933173     15.93014039    -16.86878155
  O     18.36003289     11.59513877    -16.92804406
  H     17.24588144     14.37517585    -20.61263331
  H     18.45613205     15.95948720    -19.04420628
  O     18.90238674     15.58157004    -15.97135432
  H     22.41698745     16.96262308    -18.91494571
  H     19.84989709     16.60333937    -18.70178922
  O     18.89510035     16.67278002    -18.56328148
  H     21.58323162     17.28481395    -17.65202315
  H     16.06030569     15.06432381    -14.62969000
  O     16.20172348     15.50711417    -15.47800557
  H     12.80143287     12.70450277    -13.62361066
  H     16.23608460     16.46256910    -15.31920985
          69
 Energy    -248.28615807293369     
  O     14.27258274     10.95791123    -11.40005830
  H     15.18327490     10.90646824    -11.72670981
  H     16.70210192      8.61092641    -15.87473855
  O     15.28618053      7.57035489    -15.25440306
  H     14.33286535     10.65614857    -10.48551824
  H     17.55693190      4.05293973    -12.70878525
  O     14.33614871      4.82674118    -11.58821201
  H     15.19097017      6.63334329    -15.03591985
  H     18.21684372      3.23237836    -13.84640167
  O     18.53509913      6.75396821    -10.27853432
  H     14.41770534      7.98816598    -15.17461241
  H     17.86039394      8.53950755     -9.94179519
  O     16.64213183     11.68156062    -14.86350139
  H     13.40270070      4.59609848    -11.66485050
  H     17.50949900      9.91067633    -10.58581046
  O     10.62633193      6.86370058    -12.59422911
  H     14.38426468      5.71312992    -11.19772384
  H     17.28689696      7.46172169    -12.84544916
  O     12.85373246      8.81057713    -14.77731238
  H     18.78715692      6.71468971    -11.21703193
  H     16.01687386      7.85831967    -13.64285727
  O     14.67485100      7.38232558    -10.73857372
  H     19.32032812      6.53533572     -9.78029272
  H     12.11718132      4.39117258    -13.97535604
  O     19.77308732      8.05905512    -15.07599786
  H     16.79150774     12.54320494    -15.24358757
  H     13.37159524      4.65263413    -14.82883850
  O     10.96218392      6.85891310    -15.45230587
  H     15.68127919     11.59962728    -14.72715238
  H     13.55589490     10.55887979    -14.57402122
  O     18.88083539      6.58443334    -12.99038334
  H     10.58142897      6.93596240    -13.55581913
  H     13.92224239     11.37228217    -13.30959642
  O     17.47122254      9.18612377    -15.98254003
  H     11.18250878      7.59595308    -12.29763562
  H     17.38593222      5.11421196    -10.64471655
  O     17.79500538      4.06570277    -13.65462576
  H     12.16459718      8.24100262    -15.14056149
  H     16.08289902      4.40879009    -11.11086594
  O     17.51848851      9.42144980     -9.75183742
  H     12.77121278      8.75466570    -13.81353613
  H     16.05206944      4.60419957    -14.26156364
  O     16.44314075      7.92562166    -12.77801289
  H     15.35116243      7.59394517    -11.40189845
  H     14.86264373      4.95533673    -13.34999884
  O     12.40687219      4.63282326    -14.86400301
  H     14.74304430      8.03789529    -10.03484199
  H     10.94823478      3.82654730    -11.71239629
  O     14.01096938     11.35490186    -14.26971751
  H     20.48227509      8.27464562    -15.67451813
  H     11.21872120      5.26718705    -12.20840692
  O     17.04479923      4.31575467    -11.06160666
  H     18.97486496      8.48026980    -15.43994142
  H     13.01561674      9.62734743    -11.82969572
  O     15.15465912      4.95565693    -14.27369078
  H     11.48826550      6.04796788    -15.33093882
  H     13.25116904      8.14032664    -11.59399968
  O     11.61331153      4.38205617    -12.10994251
  H     10.36336063      6.69415736    -16.17539394
  H     14.83613306      9.71445425     -8.03299987
  O     12.63549033      8.75864277    -12.01110866
  H     18.61195174      5.72664720    -13.34155099
  H     15.89902827      9.55968976     -9.14920409
  O     14.94066225      9.57101673     -8.96934777
  H     19.27990413      7.09535312    -13.71125088
  H     17.01165684     11.04827957    -13.10746696
  O     16.92556870     10.57873382    -12.27011132
  H     17.20723923     10.05724727    -15.66361375
  H     16.78011134      9.64718349    -12.49944278
          69
 Energy    -248.28611912501236     
  O     -7.57535711      2.76828479      0.04932015
  H     -7.20549851      2.63016024      0.93038072
  H     -0.86523641      2.25727771      2.59642861
  O     -4.15573398      2.61099296     -3.34567303
  H     -6.92144519      3.29044181     -0.43894131
  H     -1.46783369      2.88552781      0.53486971
  O     -6.03713387      2.05937340      2.29643440
  H     -4.13861985      2.88652764     -4.25879252
  H     -2.51205272      3.97099037      0.08675908
  O     -1.66320621     -0.91165098     -1.30383038
  H     -3.26439370      2.28258728     -3.13700997
  H      0.81311092     -0.97097530      0.96278314
  O     -5.27982841      0.42263651     -1.98438802
  H     -6.17216982      1.23801633      2.78188114
  H      1.91809175     -0.02183009      0.46698339
  O     -4.31346315     -1.95010258     -0.93746616
  H     -5.41732950      1.83835478      1.58246958
  H      2.58480074      2.52571462      0.47905168
  O     -1.72971994      1.71274377     -2.45123191
  H     -0.83194107     -1.25471643     -1.65571019
  H      1.14624588      2.08147328      0.81911614
  O     -0.99545122     -0.59930746      1.35958225
  H     -1.80643467     -0.05291624     -1.72227559
  H     -8.76159633      0.20204116     -1.36000955
  O      0.98239289     -1.59437325     -2.04388038
  H     -6.22769953      0.45501914     -1.79715633
  H     -7.85420938      1.21836860     -0.62303558
  O     -6.02924576     -0.61546467      3.32733778
  H     -5.04929536      1.16313288     -2.55601132
  H     -2.06263753      2.01530530      4.87532718
  O     -3.35403863     -0.03894497      2.73563702
  H     -4.68870677     -1.23377532     -1.47086467
  H     -2.62687037      1.36338138      3.59158472
  O     -0.39744290      2.06218584      1.77604305
  H     -3.36320304     -1.80318164     -0.99774083
  H     -6.98629761     -0.89516714      0.21699129
  O     -2.08997746      3.13794590     -0.15957411
  H     -1.82404448      2.27498494     -1.66657414
  H     -5.67570814     -1.72098833      0.27412756
  O      1.66914093     -0.95324549      0.51240327
  H     -0.77866588      1.60891800     -2.59800381
  H     -3.46463171      1.95410832      0.19692173
  O      1.90167436      1.90513178      0.23584914
  H     -1.29583770     -0.72189176      0.44602876
  H     -4.49292890      0.91871490     -0.35808516
  O     -7.88470682      0.32277503     -1.00743766
  H     -1.77594407     -0.64096738      1.92534403
  H     -3.61816012      6.23879325      0.73655478
  O     -2.19517548      2.16154640      3.94168051
  H      1.30718940     -1.46486794     -1.13495591
  H     -3.85535253      4.89851061      1.47514844
  O     -6.42660141     -1.41549027      0.80406837
  H      1.43285672     -2.35793464     -2.39379629
  H     -4.88836740      4.56295620     -0.68224723
  O     -4.10260911      1.27615083      0.44870189
  H     -6.20028265     -0.95095112      2.42600572
  H     -5.01244616      3.69486587     -1.95703529
  O     -3.63556778      5.29401720      0.61194134
  H     -6.56564234     -1.13493697      3.91868241
  H     -3.46198286      3.48405322      3.33711055
  O     -5.52154562      4.11803719     -1.25671423
  H     -3.57510782      0.35930822      1.87722047
  H     -4.91176540      3.41997046      2.82188855
  O     -4.15613948      4.01485846      2.93129574
  H     -4.18948859     -0.36647753      3.08876563
  H      1.33288846      1.53987055     -1.59484023
  O      0.97816978      1.24798369     -2.44315036
  H     -0.56769874      1.12350716      1.59488832
  H      1.07041372      0.28684523     -2.44772903
          69
 Energy    -248.28607186754488     
  O     11.04660080     10.61905942    -12.13525963
  H     10.58686304     10.22838635    -12.88856635
  H     18.16868740      7.57865198    -16.41996660
  O     13.55336389      7.12240063    -15.52406844
  H     11.88514121     10.95651778    -12.47738014
  H     16.42689696     11.93898464    -14.42899832
  O     17.63632635      9.28773716    -16.24305917
  H     14.11567556      6.97270819    -16.29914912
  H     15.87021115     13.33889465    -14.76197451
  O     12.46905968      9.67972151    -15.38301853
  H     13.10152830      7.97288884    -15.61910447
  H     15.45964072      8.93166198    -13.61134361
  O     15.98964131      6.16211224     -9.95623301
  H     17.20723029      9.48491256    -17.08512134
  H     14.91584598      8.06001789    -14.79705409
  O     13.34306384      5.97535721    -13.02431554
  H     16.91817866      9.08907864    -15.61778100
  H     10.61745473      8.79377939     -9.56654440
  O     15.27366234      9.54296061    -11.89910213
  H     12.86019069     10.14878733    -14.63136466
  H     11.11754765      9.38002259    -10.90943140
  O     15.98662338      9.53457547    -18.49962449
  H     11.55051228      9.50253776    -15.14361033
  H     18.17206408      8.62219133    -11.15566108
  O     15.86343704      4.74697229    -12.47439598
  H     15.16448181      6.65709744    -10.05017232
  H     18.02224588      8.09584837    -12.59775515
  O     17.88838876     11.02298056    -14.02867490
  H     16.01086690      5.56937219    -10.71567550
  H     11.51878855      6.49833364    -12.80128796
  O     15.46418761      6.89580503    -17.49949560
  H     14.12746841      5.43529615    -12.87102215
  H     10.77317896      7.40771376    -11.80132958
  O     18.24257218      6.60986830    -16.46882403
  H     13.39790034      6.30390368    -13.93435721
  H     16.78768009      7.22387303    -13.94470148
  O     15.63319734     12.41534530    -14.72827643
  H     14.78725415      8.86219724    -11.41326562
  H     17.89736284      6.39674682    -14.60316640
  O     15.69316225      8.51211144    -14.44820713
  H     16.21908572      9.37907736    -11.79326457
  H     17.38424982      7.21336409     -9.63923849
  O     11.15267658      8.59744554    -10.33032653
  H     15.37590438     10.09480095    -17.98528000
  H     18.35982437      7.85983911     -8.63917359
  O     18.01275921      8.90281370    -12.07028232
  H     15.98771001      9.87466674    -19.38970875
  H     14.84259220     11.52823866    -16.22749687
  O     10.69941684      6.99120336    -12.66922351
  H     16.16507555      3.85482862    -12.62810280
  H     13.65283080     10.58147401    -16.51212501
  O     17.48006498      6.57113194    -13.75142105
  H     16.49459673      5.33691709    -12.91948175
  H     13.55470721      7.03804237    -11.55820534
  O     18.11753629      7.84731730     -9.56064026
  H     18.02167344     10.40493767    -13.29924623
  H     12.86145068      7.92975195    -10.49007480
  O     14.40612138     11.02374633    -16.92473021
  H     18.03789116     10.51374222    -14.83625314
  H     14.12774797     10.65037174    -12.66934362
  O     13.71486406      7.57743549    -10.76978467
  H     15.59693518      7.74913508    -17.93276956
  H     14.18095070     11.74134012    -13.74991443
  O     13.57056547     11.17015555    -13.26840275
  H     16.33585601      6.62201349    -17.19499748
  H      9.09239185      8.91884966    -14.61904866
  O      9.98079468      9.04487821    -14.29759175
  H     19.00909557      6.42119331    -17.00440784
  H     10.20574138      8.25501661    -13.77334934
          69
 Energy    -248.28606794261361     
  O     14.31243884      7.13166323    -11.23923734
  H     14.52973039      6.20553794    -11.40204119
  H     12.55372602      6.94989876    -15.82064242
  O     15.62554169      5.55529417    -15.70270673
  H     13.49192294      7.32258956    -11.71484778
  H     17.47621727      7.62369684    -17.97767787
  O     17.30103832     10.74192119     -9.85271859
  H     16.06657878      6.15327537    -16.31798727
  H     17.59290198      7.62515361    -16.43142571
  O     17.94266608     10.08306274    -13.54382001
  H     16.09023379      5.65082682    -14.86242317
  H     17.24037040     11.65296474    -14.07329242
  O     10.90189059     10.14940483    -12.55184001
  H     16.71838989     10.00600267     -9.63218382
  H     17.38752069     13.09313327    -14.61057731
  O     16.97317551      5.90200015    -13.20062234
  H     16.77732810     11.37531404    -10.36544300
  H     15.28577395      8.20505630    -12.50667996
  O     12.05093082      7.57952348    -12.79465269
  H     17.10641082      9.67575158    -13.26643012
  H     14.83698540      9.66345426    -12.76018789
  O     15.81561111     12.41201053    -11.48997192
  H     18.53609160     10.05158711    -12.78177924
  H     14.00522996      4.49271769    -12.46647574
  O     14.18209972     11.59380238    -15.13593429
  H     11.00479687     10.31658344    -13.50690065
  H     14.87140054      3.64404670    -11.50462931
  O     12.98642332      5.13832865    -16.03144537
  H     10.08818756     10.56680713    -12.28352645
  H     12.15316546      5.67205815    -13.01756228
  O     15.00900389      9.03208126    -15.77117398
  H     16.32697996      5.29809366    -12.81472128
  H     12.57792597      4.81882137    -14.22945956
  O     12.52268378      7.87124952    -15.53727294
  H     17.36135564      6.37776908    -12.44875618
  H     20.23646606     10.04101844    -10.79820646
  O     16.96303878      7.58795831    -17.17610859
  H     12.25956037      7.67985291    -13.73530733
  H     18.69892146     10.19127371    -10.65695995
  O     16.75446896     12.47570812    -14.25209722
  H     11.54404448      8.36423076    -12.55702050
  H     18.37620003      8.52096230    -14.49719091
  O     15.46729904      8.98485244    -13.04101760
  H     16.18546458     12.59108913    -12.36122539
  H     18.03084646      7.02063474    -14.33109183
  O     14.85156254      4.46725217    -11.98506981
  H     14.96189255     11.99306017    -11.66368328
  H     18.56089560      8.06754143    -11.14200533
  O     12.49117975      4.80265648    -13.26742579
  H     14.99956396     12.05935754    -14.91870733
  H     17.29927002      7.60947175    -10.39969225
  O     19.40822452      9.79612648    -11.19961134
  H     14.46562234     10.73823165    -15.49348812
  H     11.72606061      9.58296070    -15.44979223
  O     18.42376980      7.66239630    -14.93680903
  H     13.95022472      5.24564496    -15.92552143
  H     12.28775112     11.01661254    -15.32285353
  O     17.93896387      7.33432322    -11.06685819
  H     12.85155760      4.53764756    -16.75895623
  H     15.58772253      8.04079061     -8.45906071
  O     11.49601097     10.48396784    -15.18229816
  H     15.25996541      8.89993218    -14.84394582
  H     15.21499539      7.94551082     -9.95421677
  O     15.85573790      8.32454041     -9.32975975
  H     15.67430180      8.60663907    -16.32362592
  H     12.69099076     10.73560312    -12.33778057
  O     13.61416537     10.97929805    -12.46338468
  H     13.40822161      8.23536275    -15.68596627
  H     13.70642286     11.26703747    -13.38425548
          69
 Energy    -248.28606328584306     
  O     11.97330162      6.24374028    -15.16548844
  H     12.17430249      7.14128407    -14.86804992
  H     15.04474586     12.28176685    -11.87514001
  O     16.17568985      6.11910807    -13.47592800
  H     12.56664581      6.07090892    -15.90655062
  H     16.38316854      7.72970871    -12.42786878
  O     16.69229055      8.32757499     -9.22032485
  H     15.95701924      6.68542652    -14.23026915
  H     16.78615159      9.23650297    -12.36078429
  O     14.11675908      5.62472632    -16.99459123
  H     17.13913404      6.05793307    -13.37426686
  H     11.66186151      3.69239088    -13.28229122
  O     15.94328264      5.67667177     -9.33421215
  H     16.58249491      8.44999895    -10.17520202
  H     12.18133953      4.97421724    -13.97800456
  O     13.56759568      8.31319472    -11.52882631
  H     16.36487762      7.43310274     -9.04889002
  H     19.61229868      8.14084160    -10.47214418
  O     18.77271291      6.15516078    -12.85104666
  H     14.39898845      4.96962627    -16.33105662
  H     18.52808617      8.03022248     -9.37240455
  O     18.66040945      5.13921637    -10.21366078
  H     14.19381135      5.20602608    -17.84732003
  H     15.42647596      4.57799647    -14.38947772
  O     13.64684950     11.38278448    -14.69839482
  H     15.29078120      5.53277216    -10.03045338
  H     14.03360699      3.92632231    -14.36230575
  O     15.26153168      7.73027030    -15.52019263
  H     16.78753159      5.35522887     -9.67442445
  H     16.49417126     11.84728373    -10.38522054
  O     17.90683183     10.52330840    -12.98253160
  H     13.57426530      7.35363803    -11.41911622
  H     17.17076641     13.16612319    -10.82841060
  O     14.13760450     12.12514093    -12.16296219
  H     14.49766800      8.55374980    -11.66878966
  H     20.73405219      9.04479825    -12.60906807
  O     16.24543000      8.55331945    -11.94725566
  H     18.78168976      5.71306708    -11.99091450
  H     19.23795162      9.41737735    -12.55873286
  O     12.42354217      4.26013239    -13.36110002
  H     19.20243429      7.00896066    -12.72205760
  H     14.80658191     10.81797111     -9.28541522
  O     19.39465022      7.69590638     -9.64442759
  H     18.98086545      6.01491447     -9.93054596
  H     16.10406200     10.03889787     -8.97892194
  O     14.82625681      4.02538121    -14.90523705
  H     19.20114417      4.49258864     -9.76724753
  H     13.08968077      8.59498786    -13.28305100
  O     16.80703908     12.34934262    -11.16027599
  H     13.22067811     12.09619291    -15.16556546
  H     13.08998385      9.64111664    -14.43456886
  O     19.88604773      8.74653061    -12.28831893
  H     13.80140694     11.69314021    -13.78748484
  H     13.50687692      5.06370831    -12.06660225
  O     15.75120634     10.92814284     -9.12572529
  H     14.47093797      8.06494232    -15.07009910
  H     14.88381712      5.74468268    -12.22358304
  O     12.97608667      8.70253856    -14.23709609
  H     14.95135633      7.09835634    -16.18056760
  H     12.23253461     10.52298854     -9.56127594
  O     14.16330653      5.59062867    -11.59470548
  H     17.40746166     10.55197210    -13.81434550
  H     13.13961938      9.70751396    -10.51170418
  O     13.05466463     10.55526087    -10.04355595
  H     17.58635999     11.22691849    -12.40326866
  H     16.08738489      9.43893953    -15.41106994
  O     16.28770833     10.34993473    -15.16034296
  H     13.69402263     11.68169412    -11.42974354
  H     15.43155517     10.78667204    -15.07646421
          69
 Ord_Energy   -248.285828    
 O   0.952339828       1.34857762       6.19872713    
 H   0.419876784      0.804682195       5.60713768    
 H    1.79838192      0.879049182       6.27963972    
 O    2.08959150     -0.680369020       10.0984049    
 H    1.69184542     -0.829865515       10.9518023    
 H    1.66496468      0.113376431       9.72571564    
 O    3.92590141       2.14777017       3.27717185    
 H    4.53842449       2.18732524       4.02666521    
 H    4.46824741       2.04543352       2.48484778    
 O    1.13368893       1.60536492       8.98659611    
 H    1.85943937       2.23749137       9.05554771    
 H   0.906294584       1.56101680       8.04820728    
 O    6.74786472      -2.35869813       6.50574207    
 H    5.92387819      -2.87501240       6.56950951    
 H    7.42372990      -2.86291170       6.95086718    
 O    7.33626890       1.17843926       3.53457260    
 H    6.91652298       1.43476558       2.70522118    
 H    6.91821957       1.71976781       4.21708870    
 O    3.21935415     -0.195705265       6.15026712    
 H    3.17539787     -0.344130307       5.19769716    
 H    4.13736534      -3.70785110E-02   6.40069342    
 O    5.70974779       1.58610356       1.17126632    
 H    5.78143835      0.624324799       1.04367757    
 H    5.96303225       1.98989761      0.345270038    
 O    2.96697307      -4.37478733       4.28294468    
 H    3.44159269      -3.73429036       3.72439766    
 H    2.94658566      -5.19768000       3.80156803    
 O    4.25614214      -2.43890333       2.89121604    
 H    5.11128283      -2.15848947       3.24913526    
 H    3.64996457      -1.69002342       3.00023675    
 O    2.65567493     -0.297971725       3.40442252    
 H    1.70725989     -0.268987387       3.57944036    
 H    2.99124932      0.603484571       3.29929638    
 O    4.60689068      0.593613207       9.49526596    
 H    4.28599834       1.50285220       9.44513607    
 H    3.84551311       6.31167069E-02   9.75820923    
 O    2.31852460      -2.22726011       7.76336384    
 H    2.63776374      -1.51073706       7.19108343    
 H    2.18655205      -1.83253217       8.63218307    
 O    3.49561620       3.22726202       9.19633484    
 H    3.73127079       3.65189195       8.35716629    
 H    3.59332275       3.89289403       9.87408638    
 O    4.11803007       4.42270136       6.76526165    
 H    3.39705873       4.16657448       6.16011143    
 H    4.31902122       5.33670235       6.58109093    
 O    6.02001953      -1.13488829       1.04765344    
 H    6.59663248      -1.29144537       1.80738270    
 H    5.23374557      -1.64879262       1.26485217    
 O    2.24037528       3.56336093       5.04833412    
 H    2.70016193       3.16095114       4.29992867    
 H    1.68168914       2.87188983       5.42850399    
 O   -1.42484298E-02 -0.534729004       4.30823708    
 H   0.238713980      -1.38077188       4.72233772    
 H  -0.847741425     -0.681406140       3.86991620    
 O    5.69909763       2.41816473       5.45097589    
 H    5.29125786       3.13469529       5.94754982    
 H    5.80091333       1.67125404       6.06132317    
 O   0.851304471      -2.83078218       5.45001793    
 H    1.48363400      -3.40513468       5.00166464    
 H    1.20401430      -2.70354414       6.34121275    
 O    6.75797462      -1.51562691       3.78906488    
 H    7.00626993     -0.578607619       3.79402995    
 H    6.86011553      -1.83849871       4.69102716    
 O    5.79551077      0.220462427       7.07451439    
 H    5.47686958      0.291614354       7.98822451    
 H    6.20547771     -0.643891156       6.95216274    
 O    4.41823959      -3.71464443       6.65843391    
 H    3.97807503      -4.04552269       5.86680841    
 H    3.72358084      -3.29394126       7.18284845    
          69
 Ord_Energy   -248.285767    
 O   -4.41162157     -0.825821340       2.17205191    
 H   -5.00593138      -1.50053155       2.52370262    
 H   -4.42543697     -0.884884298       1.20744121    
 O   -7.39479113      0.670026660       4.70658350    
 H   -7.25881338       1.43159890       4.12684298    
 H   -6.61615419      0.622917235       5.27197886    
 O   -4.33652544      -1.04822743     -0.621547043    
 H   -3.44583964      -1.40721226     -0.766120911    
 H   -4.35175657     -0.131978765     -0.920712411    
 O   -4.99117947      -2.30867505       5.95184565    
 H   -5.38949490      -2.53873205       6.78815413    
 H   -4.95054960      -1.33808982       5.91830492    
 O   -6.31750298      -2.88488960     -0.711636841    
 H   -5.60270023      -2.22404003     -0.761556208    
 H   -6.51772785      -3.13970423      -1.60883307    
 O   -1.96494353      -1.95170367       2.86186385    
 H   -1.89812553      -2.74895215       2.32221293    
 H   -2.81174803      -1.54048109       2.63521218    
 O   -6.71066999       2.77997732       2.94458985    
 H   -7.03615761       3.67486453       2.91469812    
 H   -6.76166916       2.42620778       2.03581285    
 O   -6.71863222       1.72713006      0.503820300    
 H   -5.98794508       1.74264097     -0.122511253    
 H   -7.09983110      0.836061358      0.484098524    
 O   -2.13675904      -2.06309772       5.64158344    
 H   -3.04667997      -2.36108136       5.75228453    
 H   -1.97360790      -2.06080413       4.68763876    
 O   -4.84021282      -4.29902267       1.26592934    
 H   -5.37112951      -3.94867754      0.540367544    
 H   -5.23131371      -3.92877483       2.06855273    
 O   0.315224379     -0.539174497     -0.227561787    
 H    8.95616412E-02 -0.137522265      0.626475751    
 H    1.17594957     -0.199154928     -0.457378268    
 O   -2.13280916      -4.16561604       1.14966917    
 H   -3.10226035      -4.25911474       1.17610717    
 H   -1.77121639      -5.04750586       1.16097414    
 O   -1.55001235       1.80682826       4.39275312    
 H   -2.45549679       1.88252103       4.06606817    
 H   -1.62566149       1.38672543       5.25718355    
 O   -2.11922336      0.370110929       6.82254410    
 H   -2.02555656     -0.516259015       6.42733765    
 H   -1.58713150      0.379225850       7.61314535    
 O   -5.94419098      -2.83480239       3.37879801    
 H   -6.84225178      -2.47768068       3.37637639    
 H   -5.61340618      -2.76418614       4.28345728    
 O   -8.37462902      -1.48270941       3.37555981    
 H   -8.06315613     -0.703686416       3.87000704    
 H   -9.27421856      -1.64180481       3.64857864    
 O   -1.88536406      -2.13425016     -0.855570197    
 H   -1.08722687      -1.60966790     -0.701717317    
 H   -1.85583019      -2.87708735     -0.241350770    
 O   -4.36265373       1.68657005      -1.14144301    
 H   -3.70051765       1.84511173     -0.443616152    
 H   -4.10912800       2.21991611      -1.88947618    
 O   -4.74756622      0.443730742       5.84313059    
 H   -4.56976938      0.849517703       4.98339653    
 H   -3.91936398      0.518683374       6.33610725    
 O   -7.77913761     -0.816254139      0.640123904    
 H   -7.39162111      -1.59149611      0.217834204    
 H   -8.03295326      -1.08236337       1.53105783    
 O   -4.21416903       1.62815356       3.33979034    
 H   -4.30540514      0.771880805       2.88768983    
 H   -5.03464842       2.12229228       3.21320915    
 O   -2.67184758       2.00308156      0.933477223    
 H   -1.91930878       1.45857716       1.19632638    
 H   -3.20474768       2.09019589       1.73139536    
 O  -0.656505167      0.411269069       2.17394376    
 H  -0.784209609      0.963619292       2.95766473    
 H   -1.01915324     -0.456483364       2.40306759    
          69
 Energy    -248.28567170021086     
  O     12.60765774     11.66661042    -15.05015659
  H     12.13385703     11.30047695    -14.29492550
  H     20.69896014      7.67120279    -14.45701699
  O     15.52914800      6.66200553    -13.68197684
  H     12.63891347     10.95950778    -15.71124184
  H     17.60615039     10.79926157    -15.02123334
  O     17.15771092      9.67954363    -11.33340028
  H     16.38376975      6.72615163    -13.23911361
  H     16.37971403     11.58127494    -15.56410219
  O     12.11087220      6.86018575    -16.27771010
  H     15.36345979      7.53053380    -14.08439255
  H     15.77009047      9.58787014    -15.14103532
  O     15.44907180      8.97898996     -9.26538925
  H     16.49229682     10.18761573    -11.81892947
  H     14.28024571      9.19939748    -15.33821701
  O     13.57380663      7.02973087    -11.75715443
  H     16.72926607      9.44512352    -10.49789145
  H     10.46654815     10.66416218    -12.44409155
  O     15.11052719     10.94415051    -12.70404738
  H     11.34468995      6.39656244    -16.60490584
  H     11.90466927     10.19670864    -12.13354873
  O     16.44832980      7.10289363    -18.00455546
  H     11.91772482      7.10309743    -15.35341824
  H     17.55409426      5.95217169    -11.03650167
  O     14.84319795      6.16176154     -9.38881562
  H     14.64251863      9.35008547     -9.64237234
  H     17.83759405      4.57866902    -10.40585411
  O     18.39674738      8.42532364    -16.47364590
  H     15.28305725      8.03142019     -9.19283477
  H     12.22141849      7.32687774    -13.01630919
  O     14.78279285      5.87875924    -16.26841508
  H     13.88865546      6.64994877    -10.92832601
  H     11.43963450      8.55694390    -13.52309723
  O     19.79206273      7.86539476    -14.23674599
  H     14.25115905      6.83515993    -12.42170162
  H     19.19603365      9.65899143    -13.79990549
  O     16.98202726     10.85228640    -15.76496521
  H     14.99266566     10.23447093    -13.35586435
  H     18.28060161     10.31333270    -12.75727011
  O     15.03077488      9.11496834    -14.73704578
  H     15.15484798     11.75256620    -13.22403803
  H     17.65219225      8.04678558    -11.93800998
  O     11.27250883     10.35769440    -12.85339587
  H     16.58619519      6.52121821    -18.74727014
  H     18.60824650      7.32322291    -12.93110900
  O     17.24147953      5.32194184    -10.36739151
  H     15.85400229      6.63758080    -17.38929712
  H     16.00981959     10.24542402    -17.51597025
  O     11.65876139      7.64255866    -13.73543530
  H     15.69517253      5.81293560     -9.70376508
  H     15.77866215      8.85062510    -18.13298424
  O     18.66407820     10.44631223    -13.63304250
  H     14.58635076      5.62904293     -8.64067800
  H     13.38834185      8.80064073    -11.29597772
  O     17.90522095      7.17852153    -12.28602439
  H     18.00144176      9.29997056    -16.38780107
  H     13.91642832     10.24507285    -11.55485243
  O     15.40588776      9.74085493    -18.06922231
  H     17.78353587      7.90141420    -17.00435797
  H     15.02723742     13.70563969    -15.00989165
  O     13.26547557      9.73108372    -11.05275724
  H     15.06428930      5.96874699    -15.34806674
  H     14.16879135     12.41802986    -14.97956205
  O     15.07670859     12.76168772    -14.88668742
  H     13.85322368      6.13703283    -16.29328632
  H     12.68591193      8.59084692    -16.72655514
  O     13.04062935      9.48678589    -16.68995657
  H     19.31623144      7.98240518    -15.07920911
  H     13.77893934      9.56074470    -17.31383058
          69
 Energy    -248.28558617130665     
  O     14.89121051     12.02045457    -12.11735991
  H     15.31973881     11.88844520    -12.97445931
  H     16.68212997      6.34274046    -16.42396616
  O     14.24009199      6.65408393    -14.51334022
  H     15.51416270     11.71684357    -11.44717479
  H     18.84466192     10.34374682    -12.64097772
  O     16.75316698      6.04032838    -11.22239477
  H     14.75392858      5.87612805    -14.26409352
  H     18.96623813      9.13782626    -11.68052090
  O     19.18268452      7.21150691    -11.72736775
  H     14.78235038      7.41722532    -14.26141511
  H     15.86122514      9.57349821    -13.88375876
  O     14.33498638     10.22957136    -16.43829778
  H     16.26895003      5.39990022    -10.68632272
  H     15.75322841      8.62442812    -12.65679528
  O     12.68547982      5.95268448     -9.91546103
  H     16.29118468      6.88296619    -11.09174497
  H     13.25287309     11.51153630    -12.06409076
  O     11.85471635      7.16678972    -13.38775544
  H     18.36650013      6.73527344    -11.49893433
  H     11.76122664     11.87281039    -11.85992925
  O     15.45471811      8.43946339    -10.89573257
  H     19.90444860      6.71401308    -11.35106420
  H     14.30731470      3.67782223    -11.41623240
  O     11.46981233      4.64784826    -12.15062740
  H     13.89811577     10.60518292    -17.19899817
  H     14.65018979      3.77640630    -12.90778069
  O     18.45875668      7.89746637    -14.35639276
  H     13.63311031     10.02421708    -15.79431034
  H     12.07663016      8.86120582    -14.29187362
  O     15.27747597      7.48269412    -16.98089077
  H     12.65526258      6.89054180    -10.13966615
  H     12.36094953     10.27652524    -13.76976827
  O     17.31299850      5.82769787    -15.90133989
  H     12.15465231      5.50666042    -10.58847732
  H     16.40618108      5.18281266    -12.94086276
  O     18.78650805     10.08540175    -11.71431559
  H     12.68709391      6.94550999    -13.83917686
  H     16.56556733      4.97973318    -14.48589693
  O     15.90970263      8.65036749    -13.60957339
  H     11.53054778      6.33292814    -13.02910782
  H     14.95970695      3.98126101     -8.94100247
  O     12.34806529     11.14999275    -12.06430450
  H     14.48790461      8.48685362    -10.91096020
  H     14.16624793      5.03281316     -9.75082351
  O     13.94494748      3.52384196    -12.29710875
  H     15.80045146      9.26494596    -10.53527047
  H     18.78071446      9.62025845    -14.65018221
  O     12.41637192      9.72396873    -14.55856726
  H     10.80559267      3.96736541    -12.21911149
  H     19.57250872     10.86129853    -15.12459757
  O     16.05839051      4.70752495    -13.70543801
  H     12.32985736      4.21264243    -12.29305388
  H     12.51815912      9.45811965    -11.29985690
  O     14.95190046      4.45638250     -9.76757475
  H     18.85057075      7.56778122    -13.53862189
  H     12.41508922      8.04254022    -11.90418796
  O     18.82325414     10.59082562    -14.59975517
  H     17.52597470      8.07718455    -14.15119208
  H     17.47347162     10.64034327    -10.73133326
  O     12.71472944      8.53026614    -11.12190167
  H     14.75660803      7.08288843    -16.27007473
  H     16.97714457     11.27157370     -9.40715434
  O     16.67773343     10.86841161    -10.21753704
  H     15.08136386      8.42272369    -16.91706964
  H     15.57011727     11.02379405    -15.31691577
  O     16.07122503     11.29318199    -14.53387140
  H     17.89444317      6.48305344    -15.49731309
  H     17.01352267     11.16491077    -14.69967857
          69
 Energy    -248.28555702979355     
  O     18.50801283      8.50464019    -15.05678383
  H     18.63618600      8.74623646    -14.13145761
  H     11.97345242      4.28807398    -10.99634538
  O     15.03098812      4.14211085    -15.85450485
  H     18.20401578      7.58906727    -15.06812877
  H     13.37193642      5.23418056    -13.39794357
  O     12.65178099      9.11244028    -13.02275151
  H     14.33514000      4.78786697    -16.07812985
  H     14.36035140      4.24906549    -14.08814219
  O     11.83495011      7.01288564     -9.36167788
  H     14.94653347      3.42025794    -16.47132446
  H     13.09572304      9.11423962    -11.26704334
  O     13.17709812      6.08264284    -16.21973809
  H     12.46814437      9.88163229    -13.57963767
  H     14.06232046      9.81237962    -10.27334927
  O     17.05900394     10.01902836    -16.79786964
  H     13.58323065      8.89347992    -13.18766018
  H     15.22514731      8.40779693    -14.51217696
  O     17.07080317      5.99987813    -15.08796074
  H     12.32399494      7.80549731     -9.61970665
  H     15.57635007      7.74804018    -13.14340307
  O     15.42631418     11.11781171    -10.30777902
  H     12.48557271      6.41407135     -8.97547029
  H     12.07457333     11.82510710    -15.29365696
  O     13.89128296      5.10912690     -8.68842044
  H     13.77737395      6.83495045    -16.32032883
  H     13.52604058     11.44075915    -14.96856682
  O     15.32366855      7.88693226    -16.25415112
  H     12.64289348      6.25597925    -15.43465890
  H     15.73045977     11.62230126    -14.41296392
  O     10.61008406      5.60797113    -11.34143918
  H     17.63763450      9.54139492    -16.17621446
  H     15.84962331     11.19725469    -15.87907288
  O     12.81231898      3.84137563    -10.82706909
  H     17.59897536     10.25700584    -17.54685734
  H     11.44748003      6.14677267    -12.92519844
  O     14.04833742      4.55999836    -13.23046702
  H     16.54550323      5.26078120    -15.41986491
  H     12.17451150      7.40787755    -13.44259127
  O     13.49484186      9.04083021    -10.38773058
  H     16.90357051      6.03063243    -14.13386927
  H     17.39626427     10.62244410    -12.74039604
  O     15.24645062      8.55550286    -13.55737925
  H     15.36900970     12.02072898    -10.00547144
  H     16.00332592     10.08680590    -13.10447372
  O     12.60111381     11.26694236    -14.72780002
  H     15.74896855     11.14931093    -11.22450447
  H     15.42614424      5.55345423    -12.67104868
  O     15.28313960     11.68142727    -15.26720714
  H     13.54735158      4.58233823     -9.43245657
  H     16.02718616      6.42806643    -11.54320599
  O     12.03929883      6.46603897    -13.61823578
  H     13.98091414      4.51571168     -7.94797904
  H     18.40408845      9.22227245    -11.55437605
  O     16.47564171     10.89296571    -12.83667439
  H     15.97637448      7.23379855    -15.96049110
  H     19.76579257      9.68192253    -12.11429011
  O     16.14466334      6.17091724    -12.46694040
  H     15.81704355      8.63202540    -16.61849021
  H     16.88048403      8.25986674     -9.93398619
  O     18.87241185      9.46733708    -12.37173028
  H      9.67788492      5.52388316    -11.15987234
  H     16.83759147      9.78997631     -9.99394073
  O     17.43262235      9.03711365    -10.09078736
  H     10.98429659      6.16474924    -10.63489142
  H     15.02742676      6.36176542     -9.43929551
  O     15.44998861      7.06362696     -9.94915309
  H     13.31660345      3.92571635    -11.64758433
  H     14.76440026      7.72270177    -10.13095884
          69
 Energy    -248.28555494668359     
  O     12.94109325      9.64431682    -11.22728666
  H     12.23725454     10.21398421    -11.55916277
  H     14.54198560     15.22366655     -9.72528935
  O     12.23653586      7.17935564    -14.08158799
  H     13.44757191      9.29896511    -11.97328588
  H     11.47094244     12.61635360     -9.17923703
  O     10.83390866     11.31229579    -11.96488992
  H     11.98322964      6.68408367    -14.85645591
  H     10.00499318     12.17295770     -8.95492088
  O     14.83024435     10.90199515     -9.72713691
  H     11.81702631      8.05387981    -14.16287611
  H     13.03442925      7.62103674     -6.39898556
  O     15.29839032      6.65912016    -11.05106612
  H     10.63279490     11.72570926    -11.11209431
  H     12.67200131      8.95668917     -7.08810176
  O      9.44110025      9.28860278    -10.15397365
  H     11.43359876     11.93652544    -12.40061156
  H     12.36465068     11.28070872     -7.30173651
  O     12.70781171     13.14688820    -12.89766420
  H     14.11449284     10.50216927    -10.24596625
  H     10.98486653     10.59826596     -7.17023532
  O     15.82864848     15.00778753    -10.88610341
  H     15.25839917     10.15207637     -9.29332007
  H     15.43374834      7.81610021     -9.49357572
  O     11.70646818      7.73819072     -9.67928937
  H     14.39832490      6.30733497    -11.17216176
  H     14.70017823      8.24654428     -8.20357427
  O     11.65359230     14.83844063    -11.01990382
  H     15.89055323      5.91120494    -11.06859122
  H     15.24000955     11.96768106    -11.13645288
  O     14.58418500      8.41167322    -13.14342924
  H      9.71236070      9.78526768    -10.92977580
  H     15.43692718     11.97969790    -12.69040217
  O     13.77833793     15.26709416     -9.12366241
  H     10.14621502      8.64583745     -9.98341279
  H     11.79893590     10.36035990    -14.76261406
  O     10.58165327     12.64796225     -9.56407917
  H     12.32764000     13.84997934    -12.35071036
  H     10.87076005     10.18533751    -13.55320420
  O     13.04798945      8.07064526     -7.23976114
  H     13.58167165     12.94788916    -12.53411521
  H      8.37517438     10.73931614     -7.50345329
  O     11.91577085     10.50886447     -6.93363291
  H     16.65133969     15.34942397    -11.22548552
  H      9.23344135     10.21905446     -8.68190156
  O     15.47863765      8.42473769     -8.74640610
  H     15.69890087     14.14465185    -11.31309896
  H     12.78326677     12.40792781    -14.51429070
  O     15.26756092     12.53809254    -11.91710319
  H     12.19555790      8.39871556    -10.19584086
  H     12.76466073     12.39834845    -16.05934086
  O     11.25865918      9.70932456    -14.29588602
  H     12.10394107      7.73661200     -8.79996532
  H     14.58573770     11.16417629    -14.66234328
  O      9.23265811     10.81623701     -7.91258114
  H     11.09451801     14.22602352    -10.52369341
  H     15.18088973     10.00611838    -13.83662565
  O     12.86053959     11.83394849    -15.29606663
  H     12.34295910     15.11291686    -10.40280345
  H     12.43850929      6.26767626    -12.38056002
  O     15.34032219     10.91878496    -14.11518390
  H     14.97726370      7.83868905    -12.47181271
  H     12.23987084      6.41783770    -10.85461239
  O     12.72376075      5.91847121    -11.52789954
  H     13.88069824      7.90801895    -13.57409983
  H     13.78335920     12.04678054     -8.81954012
  O     13.11165241     12.61000218     -8.40765233
  H     13.90546769     16.03454642     -8.57184563
  H     13.38486497     13.52529755     -8.54176676
          69
 Energy    -248.28513168792819     
  O     11.91377878     11.94994136    -12.78098673
  H     12.46135063     11.77706764    -12.00407358
  H     20.53455684      8.19912199    -14.79047075
  O     19.93411768      7.26146835    -11.37429084
  H     11.64446176     11.07679820    -13.08303447
  H     18.55065017     14.42770689    -14.93721923
  O     17.41314008     11.00382840    -11.42409779
  H     19.60351029      6.74652239    -12.13338715
  H     17.64211946     13.20749856    -15.21171856
  O     12.42480180      9.04242946    -12.94174820
  H     20.48724488      6.67628823    -10.86331718
  H     14.14456173      9.07042669    -15.60261164
  O     16.22393986      6.87384593    -13.02618373
  H     17.01448905     11.64878942    -10.83021105
  H     12.89289331      9.37230910    -14.76467506
  O     13.60042503      6.61949055    -11.97455380
  H     16.79442243     10.92562606    -12.17065011
  H     15.51524495     10.03467084    -13.96302517
  O     18.87986601      6.05621342    -13.56363345
  H     12.70348019      8.14069398    -12.73720502
  H     15.07911723     11.52282128    -13.74035549
  O     14.03044871     12.98489857    -14.25738088
  H     12.80935414      9.58045365    -12.24128606
  H     13.59923291     11.96716949    -17.61989314
  O     18.26291591      9.80686160    -15.64602462
  H     16.60505665      7.38897946    -12.29979184
  H     13.72657812     10.99055289    -16.42646210
  O     17.36785877      8.29666866    -10.89100087
  H     15.32719878      6.64151811    -12.75700672
  H     14.39886355      9.15167154    -10.23993761
  O     16.89194820     12.17456161    -16.39711432
  H     13.14912309      5.86113449    -11.61280886
  H     15.62917064      8.21906452    -10.19209832
  O     20.13618286      7.72568078    -15.54440400
  H     13.93242039      7.13838348    -11.21863975
  H     20.50225323      9.93200790    -13.32653402
  O     18.12498477     13.68640432    -14.51371641
  H     19.19822630      6.52564326    -14.34423003
  H     20.68446318      8.58578785    -12.57626507
  O     13.28387768      9.51474270    -15.63481282
  H     17.92513912      6.19711059    -13.51476847
  H     15.24804095     13.85933159    -13.20780213
  O     15.48699512     10.75405902    -13.32205171
  H     13.96978226     12.74294776    -15.18949047
  H     16.77787087     14.00367869    -13.18086051
  O     14.06411448     11.82495490    -16.79984078
  H     13.20370794     12.71897239    -13.82984280
  H     15.73072932     13.54979951     -9.51517439
  O     14.66878215      8.23936943    -10.08042857
  H     18.57941710     10.29983266    -14.87593025
  H     15.79044787     13.38776470    -11.05381826
  O     20.96919747      9.08591986    -13.35073948
  H     18.89014378      9.08611187    -15.78261357
  H     14.40045949     11.54105396    -10.58948514
  O     15.99131577     14.08132509    -12.62875227
  H     18.26614264      7.94474064    -10.91448569
  H     14.44993078     10.71306675    -11.87943838
  O     15.68913214     12.90248288    -10.21340867
  H     17.43886015      9.25347675    -11.01776994
  H     19.01336543     12.18916355    -13.81054478
  O     13.93926529     10.83627117    -11.06191166
  H     15.96494344     12.01819584    -16.60899784
  H     18.71857905     11.21375879    -12.65508042
  O     19.24518755     11.32001438    -13.45988617
  H     17.31979146     11.31094758    -16.33100196
  H     16.69013687      8.98195893    -15.37316542
  O     15.82830418      8.63015025    -15.11264706
  H     20.85336279      7.45019918    -16.10909375
  H     15.98015224      7.94698566    -14.44538639
          69
 Energy    -248.28505432506108     
  O     12.07779560     10.03758932    -15.59318147
  H     12.48444067     10.88621438    -15.38082625
  H     15.40233588      5.49126022    -15.84646553
  O     16.21585925      6.53200798    -13.03114008
  H     11.68879179      9.69478750    -14.77910846
  H     20.07583335      6.86776036    -13.58224431
  O     17.13558750     11.00242358    -11.92774162
  H     15.42133877      6.46413672    -12.48395142
  H     19.27848706      8.14381415    -13.89825778
  O     18.12625804     11.81172034    -14.36267499
  H     16.83909676      7.06701309    -12.52285116
  H     16.68366575     11.80699209    -15.68382401
  O     13.49621116      5.70913808    -15.99931831
  H     16.22758559     10.96452712    -12.26546638
  H     15.98610573     11.07307487    -16.86608099
  O     14.68915627      9.71236371     -9.09660582
  H     17.07351326     11.32110452    -11.01534068
  H     14.96138035      8.52532318    -15.31258620
  O     14.05423639      6.71226992    -11.30571317
  H     18.75427829     12.52360142    -14.26956319
  H     15.67853840      7.89663171    -14.07532339
  O     14.64080900     10.76869017    -13.02572396
  H     17.83423738     11.57783706    -13.46473799
  H     10.06652151      8.61123984    -13.15801443
  O     17.50604630      7.60580364    -17.26868783
  H     13.56698161      6.61714737    -16.34328833
  H     11.40761894      7.87902005    -13.39863299
  O     16.12257897      7.25113068     -9.43550478
  H     13.01031852      5.20702918    -16.64937022
  H     12.87275809      6.26502611    -12.76091557
  O     18.26242687      9.11115235    -15.03770574
  H     13.99102195      9.63414131     -9.75886070
  H     12.72365083      6.06681581    -14.29774037
  O     16.35057767      5.59544325    -15.70266413
  H     15.14321773      8.86093518     -9.09035567
  H     18.55858346      8.05608543    -11.88678299
  O     19.72613105      7.66141944    -13.18414904
  H     13.67667887      7.60467994    -11.32850556
  H     17.56225530      9.21047623    -11.57765720
  O     15.91415676     11.82376895    -16.26422859
  H     14.67301465      6.71495908    -10.56507844
  H     16.62554453     12.20307955     -8.55695285
  O     15.53431105      8.71959363    -14.56169677
  H     14.93227269     10.04298135    -13.60200057
  H     15.89353502     11.01033465     -9.19631828
  O     11.00270626      8.75633425    -13.26853666
  H     14.23446745     11.43178995    -13.59526056
  H     16.48964054      8.86711002    -17.86817653
  O     12.26896857      6.37642832    -13.50540045
  H     17.12461977      6.84299568    -16.80958935
  H     16.02074092      9.76572121    -19.03722027
  O     17.74987375      8.27911092    -11.40291861
  H     17.99443887      8.09677799    -16.59507973
  H     13.59612039      9.87166587    -11.89503023
  O     16.60742751     11.65607901     -9.33686728
  H     16.62856436      6.76829919     -8.78701652
  H     12.21284875      9.19489641    -11.88603721
  O     15.89344514      9.60056930    -18.10667117
  H     16.76018701      7.61235364    -10.07503659
  H     13.35514654     13.31621086    -15.15720575
  O     13.01334682      9.31109056    -11.36075471
  H     17.31349935      8.96316299    -14.90595274
  H     14.40155458     12.23698577    -15.53113610
  O     13.58182791     12.39953416    -15.02878170
  H     18.40045683     10.05453049    -14.89279294
  H     13.14286682      8.93036137    -16.41745718
  O     13.80757401      8.30431532    -16.74746087
  H     16.43968165      5.76578688    -14.75612570
  H     14.41059141      8.77399980    -17.33570518
          69
 Energy    -248.28496143840152     
  O     19.15864653      7.47389775    -13.17194959
  H     19.04555465      8.31327111    -12.71041395
  H     14.92157089     10.67267448    -13.36700614
  O     14.03069489      3.42491492    -12.96498295
  H     18.80908151      6.79106693    -12.58686647
  H     15.95729480      6.82341007    -14.50231045
  O     13.32525863      8.60531317    -14.91455371
  H     13.57798473      3.85375194    -13.71637795
  H     15.60924585      7.15273505    -13.01008860
  O     11.48289106     11.27434607    -12.19423497
  H     13.74610768      2.51462353    -12.96115917
  H     18.27516004      5.26246595    -10.58034995
  O     12.70588781      4.74542173    -14.88914379
  H     13.50652437      8.71272989    -15.85542866
  H     17.10025130      6.01869130    -11.24429427
  O     18.89562981      7.31533737    -15.86733227
  H     14.09484291      8.13269683    -14.55534740
  H     14.28358273      9.07941415    -18.34822499
  O     16.79702918      3.94452546    -13.49771826
  H     12.38671897     11.15223344    -12.52532732
  H     15.31697142      8.88840504    -17.21604274
  O     12.33495805      7.93060755     -9.97043816
  H     11.39587490     12.20544098    -12.00639284
  H     16.85240912      9.75965930    -15.73849564
  O     16.67754918      5.60337252    -15.65346432
  H     13.17281809      5.11035655    -15.65585437
  H     17.60646541      8.62520953    -16.44527303
  O     10.29060947      8.84826125    -11.75840679
  H     12.16686275      5.45571123    -14.52492534
  H     11.05754248      7.57663856    -12.93956297
  O     13.08268452      5.62918115    -11.49903060
  H     19.01922502      7.38519420    -14.90361605
  H     12.14919137      7.58088272    -14.03382621
  O     13.98688825     10.59529080    -13.13475453
  H     19.75983304      7.17391486    -16.24459235
  H     15.11185927      5.66681669    -16.59010825
  O     15.60445775      7.49895129    -13.90909440
  H     15.88553783      3.74867566    -13.24503999
  H     14.22544638      6.74961131    -17.22410817
  O     17.94560750      5.57032294    -11.42092052
  H     17.21267924      4.38704363    -12.74890108
  H     17.35747297     10.15054765    -13.26673111
  O     14.40811808      8.67676225    -17.49316928
  H     11.56885962      8.23785967    -10.47073458
  H     16.33701946      9.16130297    -13.88833632
  O     16.91489227      9.28484605    -16.57734455
  H     12.52323603      7.04258389    -10.30024868
  H     14.70590673      6.32206087    -11.24935224
  O     11.62467128      6.99923872    -13.46344000
  H     16.81089573      4.93176754    -14.96669768
  H     15.31915285      7.71393046    -10.95343194
  O     14.22058241      5.83287101    -16.93050661
  H     17.51207760      6.06093410    -15.80752856
  H     18.14477915     10.02699080    -11.13553063
  O     16.61587577     10.09169564    -13.87895482
  H      9.35642347      8.96568520    -11.60538643
  H     19.36909896     10.66367430    -11.83079681
  O     15.54243353      6.80696454    -11.19821579
  H     10.66112176      9.73203780    -11.92379573
  H     16.14085215      9.88880620    -10.00842345
  O     18.68622630     10.00672586    -11.94293985
  H     12.58958321      6.08747805    -12.19620651
  H     17.06301067     10.14666001     -8.80616136
  O     17.05910016     10.08145501     -9.75758195
  H     13.35577298      4.78163100    -11.87230294
  H     13.76560707      8.94391904    -10.30912668
  O     14.56957875      9.36725646    -10.64659334
  H     13.62366212      9.96333286    -13.77414471
  H     14.34380110      9.79415320    -11.48214793
          69
 Energy    -248.28492470233579     
  O     13.44966598      9.95345651    -16.64595456
  H     13.18541560      9.67644282    -15.74854714
  H     17.06750222      4.43135684    -16.03917125
  O     16.91998595      5.52496190    -13.23063979
  H     12.68729233     10.36528460    -17.04346944
  H     18.42710949      9.77181967    -17.33638444
  O     18.34761207     10.02812378    -12.66020122
  H     16.87952001      4.79381210    -13.85774101
  H     16.96995195     10.12955817    -16.97195678
  O     20.06886613      9.94418598    -16.40127098
  H     16.60574373      6.30001915    -13.72326207
  H     17.24527444      7.80307561    -15.02861576
  O     14.00931106      5.19010932    -15.42291469
  H     17.39043572     10.03225591    -12.79600432
  H     15.75863521      7.63151853    -15.47590273
  O     15.67721553      9.70842046    -10.44714252
  H     18.61477624      9.09854896    -12.64555523
  H     13.73810106      9.47989999    -13.63134396
  O     14.86605669      5.95063590    -11.40683555
  H     19.64086597     10.64034021    -15.87067639
  H     12.87472588      8.21743274    -13.83473374
  O     15.56387973      9.85750771    -13.14746352
  H     20.90645563     10.29199096    -16.69376043
  H     18.66593784      8.72582556     -9.68891140
  O     17.96719488      5.58996491    -16.96912954
  H     14.81185940      4.65612409    -15.42735831
  H     17.77981812      7.47614313     -9.58305438
  O     15.92792570      7.15880831     -9.26219725
  H     14.15539472      5.90301397    -16.06066173
  H     13.22204558      5.92701547    -14.06760539
  O     19.08223041      7.54789444    -15.29574195
  H     15.66514561      8.84959547    -10.00555172
  H     11.95599785      5.99468626    -13.18408350
  O     16.55077137      3.84654244    -15.45554739
  H     16.48722299     10.13880164    -10.14832188
  H     17.72004959     11.69017792    -15.22059958
  O     17.51255273      9.66960514    -17.62436995
  H     14.12013386      6.13800824    -11.98695421
  H     18.62441458     11.19130815    -14.07058945
  O     16.33242094      7.76735593    -14.71189807
  H     15.59334395      5.67951325    -11.98382817
  H     19.01143637      7.38804397    -11.54168427
  O     12.98082030      9.13419062    -14.11880258
  H     15.50581032      9.75049854    -12.18421252
  H     18.34772620      6.58775080    -12.68362545
  O     18.66993734      7.77002379     -9.81748146
  H     15.78645586      9.01352489    -13.57552718
  H     18.81594562     11.43651808     -9.72253473
  O     12.80311194      6.40858020    -13.33156739
  H     17.58328715      6.12244666    -17.67503936
  H     18.45910325     10.53262755    -10.92330386
  O     18.63321039     11.67485122    -14.90909371
  H     18.47366358      6.20221693    -16.41775683
  H     16.81465055      7.46994901    -19.76433341
  O     18.99091361      7.28795373    -12.50530820
  H     15.51593753      6.68427507    -10.00715328
  H     17.04196975      8.24330718    -18.43998567
  O     18.35379695     10.63773221     -9.96289930
  H     15.56438281      6.78499940     -8.46432102
  H     15.79848223     10.73653628    -14.78413468
  O     16.73185237      7.39885025    -18.81767188
  H     19.52339919      8.34100888    -15.62352952
  H     15.07909165     10.85249502    -16.13063838
  O     15.91502997     11.05153063    -15.69128818
  H     19.28729074      7.44928975    -14.35649050
  H     14.22006749      8.28172850    -16.98304648
  O     14.66225397      7.42418872    -16.95399719
  H     16.76986523      2.95169204    -15.69995089
  H     15.28673224      7.38352005    -17.68991479
          69
 Energy    -248.28453388857702     
  O     11.20770061     10.68485255    -10.11404642
  H     11.83783586     10.64468798     -9.38717418
  H     13.90141158     12.30884659    -14.90653401
  O     12.06578461      8.78691029    -16.56898060
  H     11.26210261     11.60225975    -10.42110552
  H     17.46840526      9.33566183    -10.95254310
  O     13.11832010      8.64416078    -13.96216707
  H     12.20112245      8.32927713    -17.39450007
  H     16.26191032      8.81071299    -11.74859424
  O     14.39097842     13.51676488     -8.85273442
  H     12.11142343      9.73909381    -16.76636096
  H     14.09777480     15.16306070    -11.92127587
  O     11.98335579     11.48864602    -17.01534028
  H     12.82517527      8.52277344    -14.87338238
  H     13.47011197     16.20571256    -10.97244173
  O     11.02545300      9.98965372    -12.78259425
  H     12.38077566      9.07246127    -13.49762884
  H     13.99509156      8.39252161    -12.27018284
  O     15.01731751      9.09203823     -8.73160090
  H     14.08457821     14.15976069     -9.49950145
  H     14.26253700      9.63447079    -11.40069099
  O     14.19786841     11.45692431    -11.60787720
  H     15.23108632     13.19019862     -9.20676454
  H     17.42482286     10.08541834    -13.20755430
  O     13.19467257     11.15451012     -8.05899255
  H     11.06732574     11.71316884    -16.80651986
  H     18.17324052     10.35582976    -14.53577236
  O     16.98220536     13.25253027    -12.83213354
  H     12.52740565     12.13051431    -16.54408591
  H     11.81795007     12.83189639    -14.32464214
  O     11.84774659     13.09344242    -11.31057765
  H     11.03931267     10.07066396    -11.81821571
  H     10.31733875     12.50148168    -14.54645619
  O     13.41367781     13.12175821    -15.12056107
  H     11.03164097     10.88720645    -13.14044246
  H     16.91716354     11.57294648     -9.85743950
  O     17.18554423      9.08172378    -11.83883582
  H     14.37748934      9.76518855     -8.46593867
  H     15.67014487     11.95837255    -10.70769016
  O     13.59926783     15.26797793    -11.09628196
  H     14.71640017      8.74790628     -9.58295194
  H     15.65639159     10.74223340    -14.29679234
  O     14.42019801      8.67870093    -11.45386562
  H     14.36348369     11.40119459    -12.55837788
  H     14.24368936     10.04722710    -14.23622994
  O     17.46030841     10.67021814    -13.98708115
  H     13.37457958     11.93925311    -11.47141517
  H      9.31805744     10.93235352    -15.71170842
  O     10.98843849     12.63241016    -13.86661793
  H     13.57354803     12.00643066     -8.33343333
  H      8.45812585     12.05665642    -16.34005523
  O     16.45904026     12.31630818    -10.26691380
  H     12.86329877     11.28274829     -7.17299114
  H     16.65513002      9.61485505     -8.92084558
  O     14.70336711     10.89512208    -14.30544386
  H     17.23373795     12.44102980    -13.28721368
  H     18.12632024      9.72089895     -8.44874269
  O      9.32602809     11.86421482    -15.99706267
  H     16.93276093     13.02249783    -11.89325129
  H     15.71807725     14.32081179    -13.28778234
  O     17.53598899      9.96075375     -9.15702327
  H     12.33204012     13.92192335    -11.22372319
  H     15.39924366     15.66152871    -13.98336565
  O     14.99475159     14.93348830    -13.51727232
  H     11.44906572     13.07397542    -12.19255470
  H      9.95345807      9.39146203    -14.22728525
  O      9.62410922      9.30942516    -15.13302789
  H     13.88144174     13.83120502    -14.66798045
  H     10.36527014      8.97035736    -15.65014902
          69
 Energy    -248.28402820189524     
  O     15.82888368      8.94241089    -10.19144574
  H     15.40082706      9.68215043    -10.64478601
  H     17.57958856      4.64602760    -11.72206836
  O     12.06411388     10.76409288    -14.59983319
  H     16.75971084      9.14732237    -10.04123453
  H     18.40642556      7.69702934    -15.14510678
  O     16.45303639     11.00657504    -13.75115995
  H     12.25375119     11.51325987    -14.02165471
  H     17.28972188      8.07685104    -16.13575173
  O     13.46945902      4.09048923    -12.51322149
  H     12.12997605      9.97963308    -14.04023721
  H     13.74566891     13.03237170    -13.65882009
  O     14.90507128     12.98937695    -14.96777531
  H     17.29489597     11.00400082    -13.27568634
  H     12.78549446     13.73130523    -12.66586017
  O     16.33018417      7.34964443    -12.42757488
  H     15.76211322     10.81556363    -13.10388124
  H     12.49072892      7.88524509    -12.31428115
  O     14.38973676     10.61014854    -11.86588704
  H     13.92123252      4.32107412    -13.34655685
  H     13.34162031      8.23072820    -13.55910877
  O     18.85624628      8.04536521    -13.39774336
  H     13.16048214      3.19349372    -12.60747197
  H     13.09195935     10.90074384    -16.02934386
  O     18.78750511     10.63134016    -12.35944995
  H     15.59564297     12.43018386    -14.58287055
  H     13.20595141     11.17278028    -17.54645360
  O     17.66222359      4.83568822    -14.96526053
  H     14.54764333     12.48086396    -15.70565889
  H     12.66007156      5.53685923    -11.73206459
  O     14.83110848      4.82693865    -14.68930777
  H     16.24723580      6.44740694    -12.09434820
  H     11.43845839      6.04329538    -10.93698610
  O     18.42419267      4.78884228    -12.17270780
  H     16.12231647      7.93404504    -11.68711836
  H     13.71879384      6.58526622     -9.96996422
  O     17.91562297      7.37705716    -15.91609495
  H     13.80093011      9.90596264    -12.17548184
  H     14.94069358      7.43976014     -9.57121228
  O     13.10513916     12.87676317    -12.94093314
  H     13.94810651     11.44438532    -12.06719919
  H     15.48800511      5.38560443    -10.41512333
  O     12.73918328      8.60915334    -12.89883865
  H     19.42548280      7.62135014    -12.74704884
  H     15.11032304      4.45561281    -11.58899834
  O     13.72327995     11.05894497    -16.75361315
  H     17.95233409      7.82397748    -13.12162827
  H     20.71936945      6.45562444    -10.85211065
  O     12.28650610      6.31247846    -11.28421570
  H     18.92749125      9.81507938    -12.86195001
  H     19.33472501      6.04683507    -11.39801783
  O     14.53446942      6.56928180     -9.45575930
  H     18.77734450     10.34154802    -11.44161124
  H     15.25662694      7.49152139    -13.82474670
  O     15.86078848      4.85664276    -11.13740121
  H     17.72722342      5.72827639    -15.34891353
  H     15.03060211      8.20582945    -15.18067934
  O     19.84900154      6.79544101    -11.04399485
  H     18.10933090      4.25136227    -15.57321988
  H     19.08403139      9.24248591     -9.05260789
  O     14.63223426      7.58052380    -14.56270178
  H     15.78396340      4.71930487    -14.79366013
  H     19.02799481      8.28364207    -10.25794341
  O     18.64450935      9.09368139     -9.88722250
  H     14.66153386      5.77281603    -14.80565158
  H     15.25450779      9.99560970    -16.44704207
  O     15.97074011      9.49536775    -16.03665781
  H     18.22536082      4.79914879    -13.11692486
  H     16.23961399     10.00766237    -15.25849513
          69
 Ord_Energy   -248.283997    
 O   -6.77100563       7.83273172       3.31137347    
 H   -7.70284128       8.03255558       3.36205745    
 H   -6.30803204       8.52486801       3.81029129    
 O   -3.87250090       7.25748301      -1.43006766    
 H   -4.35610628       7.43738747     -0.610722363    
 H   -3.85596609       8.08196068      -1.93263125    
 O   -2.74209666       7.45003653       2.39196420    
 H   -2.79215980       7.69628668       3.32338810    
 H   -2.54977679       6.50218296       2.33574247    
 O   -3.57318568       9.77970219      -2.58338141    
 H   -2.60419583       9.85587311      -2.51083875    
 H   -3.83594847       10.3159084      -3.32592702    
 O   -1.39034975       4.39284706     -0.592855692    
 H   -1.07985151       5.25283384     -0.906146407    
 H   -2.25637364       4.26856852     -0.999630213    
 O  -0.291994721       8.00355625       1.33413684    
 H   -1.19782174       7.92880249       1.67425907    
 H   0.273588717       7.67960501       2.04350471    
 O   -5.10627270       7.47575140       1.04065275    
 H   -4.25580931       7.60781384       1.49157763    
 H   -5.78787565       7.70069456       1.68197477    
 O   -2.28736448       4.72013426       1.98219359    
 H   -1.83495259       4.56906557       1.13937855    
 H   -3.22434950       4.56395721       1.81343496    
 O  -0.670896471       10.6431351      0.583441973    
 H  -0.426079363       9.73894501      0.830830038    
 H  -0.735772610       11.1262875       1.41596270    
 O  -0.550080240       9.39475632       4.66716480    
 H   -1.38728249       8.99600983       4.94137383    
 H    1.41358096E-02   8.66170025       4.39520550    
 O   -3.49050927       10.5083408      0.226617008    
 H   -3.68445611       10.3334293     -0.698296547    
 H   -2.52610946       10.5514517      0.286854237    
 O   -1.00266623       7.12636995      -1.20988941    
 H  -0.689916730       7.38237095     -0.329264909    
 H   -1.96819329       7.18013191      -1.19978261    
 O   -4.98553276       4.67972183       1.17800403    
 H   -5.09456730       5.64157200       1.12503433    
 H   -4.79825926       4.40027571      0.274001747    
 O   -3.54621935       5.51073217       5.76655865    
 H   -4.24475288       5.37218380       5.10238314    
 H   -3.79075170       4.99689341       6.53163290    
 O  -0.898744643       9.81579971      -2.13090801    
 H  -0.693979681       10.2620459      -1.29879415    
 H  -0.760311544       8.87365246      -1.96300840    
 O   -4.12283993       4.51197529      -1.54058719    
 H   -4.47261143       4.20885038      -2.37469673    
 H   -4.05518246       5.48035765      -1.60248899    
 O   -1.01729333       5.19502258       4.37955236    
 H   -1.37055182       4.86325979       3.54059553    
 H   -1.78079093       5.26207304       4.96221399    
 O   -5.51342726       5.30226612       3.90135002    
 H   -5.41510153       4.89254761       3.03303838    
 H   -5.99345446       6.12561989       3.75096488    
 O   -5.33559084       9.75491619       4.68108463    
 H   -4.81564140       10.2359705       4.00706053    
 H   -5.61661386       10.3992414       5.32483292    
 O   -3.02395177       8.16484547       5.10724354    
 H   -3.84132004       8.67597866       5.07702351    
 H   -3.22783041       7.28915977       5.46146822    
 O   -3.83794785       11.0013170       2.89181757    
 H   -2.93461466       11.2858067       3.07061148    
 H   -3.87001681       10.8192320       1.94066429    
 O   0.851205289       7.07398939       3.74903965    
 H   0.208277225       6.39082527       4.01021433    
 H    1.71221137       6.74275541       3.99002814    
 O   -1.06283164       11.6251278       3.22257447    
 H  -0.668193817       12.3722324       3.66437650    
 H  -0.827621579       10.8363876       3.74405861    
          69
 Energy    -248.28352765696653     
  O     16.74676806      9.86436431    -15.07190019
  H     17.47422229      9.22698367    -15.12283148
  H     12.87220766     12.29603724     -9.47092871
  O     14.77792623      7.67840541     -9.04138172
  H     15.97313302      9.44385017    -15.47155456
  H     16.60612482      4.47878235    -14.69661274
  O     12.52661947      8.87524557    -10.36412208
  H     14.84929250      7.26629350     -8.18488955
  H     17.70624493      3.45174912    -14.33999413
  O     14.51567285      8.45004860    -15.85336972
  H     15.17053784      8.56657635     -8.96038118
  H     15.54740782      8.08483924    -11.96552043
  O     18.88811730      8.12219470    -14.96815651
  H     13.19675046      8.36002579     -9.90045264
  H     15.34726632      7.17181119    -10.73087582
  O     20.65800308     10.01046345    -13.85566870
  H     12.69682684      9.79610969    -10.13034348
  H     17.98679818      5.41540155    -16.01691258
  O     18.05943378      6.62179477    -12.78489433
  H     14.78583116      7.85704716    -16.56572744
  H     18.44000549      6.86144147    -16.24549989
  O     11.63832863      8.35118914    -12.86730085
  H     14.28947305      7.87961914    -15.10457307
  H     16.44527257      6.38116672    -17.35124624
  O     16.28763909     13.13135176    -12.45272221
  H     19.62080823      8.68607403    -14.69481755
  H     15.45328740      6.29383496    -18.53522018
  O     12.82675753     10.37065998    -14.52866785
  H     18.61089372      7.61524129    -14.18937621
  H     15.95843872      9.74851241    -13.46233653
  O     13.78867757     11.90387091    -12.48613566
  H     19.97078494     10.69790920    -13.87151937
  H     14.84302690     10.34476585    -12.55149986
  O     13.33336885     11.55255140     -9.85023100
  H     21.48806335     10.44503427    -14.03282742
  H     17.82128826     11.15155184    -14.31313152
  O     17.54047191      4.38580505    -14.43634156
  H     17.97237147      5.79115752    -13.27039709
  H     18.20920686     11.42514321    -12.83866549
  O     15.58243553      7.16093255    -11.66576995
  H     17.20661882      6.76760107    -12.35080838
  H     16.82219377     10.42597028    -11.56853352
  O     18.03970535      6.10302425    -16.69196587
  H     11.93398037      8.53564373    -11.95794042
  H     18.26557111     10.16889157    -11.07415916
  O     15.50971158      6.48383414    -17.60273550
  H     10.70580524      8.15714136    -12.81839818
  H     14.38489924      6.78339566    -12.98139224
  O     15.56189504      9.70350854    -12.58106370
  H     16.94037936     13.02060872    -13.15183295
  H     12.96705900      7.19567723    -13.45493115
  O     18.43689969     11.64731481    -13.75202107
  H     16.65739709     12.63976118    -11.70992572
  H     19.04072357      8.00812066    -11.82074612
  O     17.56234274     10.83651503    -11.09237012
  H     13.35477943      9.84673882    -15.14226176
  H     19.98931974      9.15645355    -12.21465683
  O     13.77406678      6.74401933    -13.73073745
  H     12.33428905      9.72852822    -14.00045402
  H     16.43759794     10.50847153     -9.54736276
  O     19.41080632      8.84336398    -11.50924289
  H     13.42905986     11.55042715    -13.31330720
  H     14.94566938     10.77592321     -9.22474607
  O     15.70558341     10.22884581     -8.98593850
  H     14.57632721     12.43949427    -12.65668915
  H     15.05984168      5.26423330    -16.15824613
  O     15.00365549      4.80309852    -15.31284352
  H     13.44186186     11.74277904    -10.79897588
  H     14.46842762      5.37012101    -14.74061276
          69
 Energy    -248.28342808297742     
  O     11.20780007     10.33162939    -11.31677433
  H     10.65174041      9.84461969    -11.93773338
  H     16.84078550      6.75522538    -16.65366726
  O     13.75564382      7.37366732    -15.06815401
  H     11.81847500     10.84561276    -11.86046764
  H     15.58401298     12.07454227    -15.25222261
  O     17.78093579     10.53807072    -11.02645593
  H     14.10776068      6.92035334    -15.84313940
  H     14.19473544     11.93588807    -15.89586637
  O     17.72410420      9.53018251    -17.73689077
  H     14.43722558      8.00580994    -14.78447348
  H     16.09956015      9.75507716    -14.73539338
  O     11.92221306      9.40108059    -14.98058955
  H     16.83645589     10.56596747    -11.25902508
  H     15.47666438      9.49856432    -13.34180067
  O     13.76041709      6.00526251    -12.67040451
  H     17.93280506     11.24648904    -10.40638752
  H     11.77588376      9.17081285    -10.13548751
  O     15.15518340     10.28065257    -11.72051804
  H     18.45221144      9.57345881    -18.35100188
  H     11.70737978      8.58326851     -8.70521749
  O     14.96934528      8.97794188    -18.21675839
  H     17.79832032      8.67744461    -17.27136958
  H     11.44057268      7.15705311    -10.89454355
  O     16.21578384      4.79422635    -13.07100492
  H     12.49756274      8.62288984    -15.03821973
  H     12.03229125      6.31296316    -12.04122542
  O     17.15576261     11.05237886    -15.45802316
  H     11.14892296      9.13939334    -14.46610484
  H     18.61210944     10.22884018    -12.69409055
  O     15.06406597      6.42964117    -17.33595533
  H     14.54119429      5.43991976    -12.74429973
  H     18.73444448      9.01743394    -13.62675836
  O     17.69226071      7.14725932    -16.42063436
  H     13.67358673      6.44677552    -13.52732485
  H     17.65148568      7.30050801    -12.58957564
  O     14.66618608     12.36567725    -15.17170640
  H     14.38619916     10.70071881    -12.12916167
  H     16.90070008      7.84988189    -13.82370265
  O     15.65217496      9.08878662    -14.19816319
  H     14.87592853      9.44498703    -11.31792853
  H     16.47018559      7.63797843    -10.66140084
  O     12.06540973      8.42843636     -9.57498501
  H     14.37769028      9.63865120    -17.83750189
  H     17.65718447      8.61667371    -10.75973067
  O     11.21105932      6.70560201    -11.71588226
  H     15.86988719      9.31648195    -18.13671204
  H     12.46131431     11.25375301    -17.58728310
  O     18.87674365      9.96790722    -13.58652287
  H     16.80161794      4.21712341    -12.58542112
  H     12.61666300     10.33302276    -16.35869565
  O     17.59821555      7.23110255    -13.55627571
  H     16.74535812      5.57066097    -13.30238332
  H     14.30076393      7.16581824    -11.37271758
  O     17.41288261      7.68920133    -10.86811576
  H     17.84271850     10.80427128    -14.82052709
  H     13.76037331      7.97408654    -10.16488943
  O     13.11062714     10.80963993    -17.04585140
  H     17.40236817     10.65714701    -16.30371646
  H     13.63196642     11.82873323    -13.78887865
  O     14.55476924      7.79766616    -10.68489639
  H     14.98477827      7.32036243    -17.72622338
  H     12.68148172     10.61843862    -13.76770622
  O     13.07352018     11.29696416    -13.20187102
  H     14.86976577      5.80273242    -18.02724792
  H      9.00519126      8.35045784    -13.28029775
  O      9.92851877      8.57390718    -13.20042977
  H     17.79964827      7.03527389    -15.46938467
  H     10.35363262      7.84349607    -12.71494390
          69
 Energy    -248.28320320312662     
  O      2.61692768     -0.64341687      6.46788770
  H      3.37505581     -0.63924434      5.86843194
  H      3.56627635      2.42069217      3.31564923
  O     -1.04014084      2.07081584      6.95404474
  H      2.14861571      0.19054322      6.32797571
  H      1.47674272      1.66459715      2.75345292
  O      0.67677171     -4.96732328      2.84377263
  H     -1.19501062      1.17568540      7.30812291
  H      0.64003735      0.35678132      2.72960288
  O      3.39551903     -4.64613700      6.95730530
  H     -1.54618320      2.67270122      7.49245689
  H      5.53626857     -0.04350718      1.20420541
  O      4.37042774     -3.26667810      4.83790774
  H     -0.10963488     -4.43486763      2.68841789
  H      4.17864768     -0.73336123      1.48240814
  O      2.17606090     -2.55566838      8.43710704
  H      0.71451107     -5.11731719      3.80104895
  H     -1.05646169      1.11041925      3.84141864
  O     -1.47734988     -0.48696580      7.66630620
  H      3.79324037     -4.14378617      6.22288725
  H     -1.68974111      1.40816317      5.20964243
  O     -0.41500898     -2.61978289      9.15572348
  H      4.05299321     -5.27205278      7.24867008
  H      4.43613478      3.05878939      5.74403402
  O     -1.31115099     -4.06002694      6.87556959
  H      4.58593336     -2.33484817      4.72676780
  H      3.15075778      2.24602900      5.47106830
  O      3.05214074     -1.94721743      1.08408895
  H      4.02263731     -3.58422008      3.99459013
  H      1.07518693     -3.15252075      5.08965126
  O      4.68704384     -0.37377742      4.59622274
  H      2.37649954     -1.80798917      7.85704467
  H      1.57311590     -1.71911081      5.46540812
  O      3.18202092      2.20502111      2.45787294
  H      2.62095609     -3.31529066      8.04312348
  H      3.70695734     -5.19292923      2.08810627
  O      0.67218549      1.25029193      3.09768625
  H     -1.11941747     -1.14869488      8.27046267
  H      2.35403626     -4.59957290      2.53446067
  O      4.79652246     -0.05252007      1.80520226
  H     -1.66417745     -0.95265277      6.84350391
  H     -0.74240455     -1.89670144      5.06563229
  O     -1.80803293      0.88709012      4.40718983
  H     -0.48387044     -2.84573981     10.07904009
  H     -1.86447249     -0.85828730      4.77474174
  O      4.07952798      2.35674734      5.20578514
  H      0.53484546     -2.60167192      8.93839220
  H     -1.79492465     -2.72611403      3.44818059
  O      0.99224562     -2.21498027      4.87646001
  H     -1.68662228     -3.38136213      6.30469517
  H     -2.48778696     -3.34044877      2.21645204
  O      3.30193833     -4.40135949      2.43407311
  H     -1.07950364     -3.61753286      7.70314065
  H      1.72547923     -4.97260479      6.15048975
  O     -1.70587893     -1.77058449      5.06644166
  H      3.21026656     -2.82490749      1.45341514
  H      0.16466095     -4.75594643      6.12413479
  O     -1.63117552     -3.15471891      2.59429876
  H      2.15719923     -1.71062735      1.36321310
  H      1.15920651      1.55354897      4.81361675
  O      0.94759352     -4.93765343      5.58210115
  H      4.64868314      0.55048191      4.87581490
  H      0.63843287      1.96782395      6.21776627
  O      1.43749682      1.75717752      5.71969742
  H      4.74730142     -0.33556184      3.63181525
  H     -0.20406954     -1.90569166      2.10395526
  O      0.59928299     -1.40792863      2.28714142
  H      3.72383732      1.48318398      2.11409123
  H      0.87684749     -1.69831329      3.17135441
          69
 Energy    -248.28303958695562     
  O     13.71586228      3.05282975    -10.85322216
  H     13.81664964      2.12183114    -10.61821013
  H     13.62364030      9.23058231    -10.31733223
  O     12.86224852      3.16075471    -13.51555985
  H     13.43828890      3.06649620    -11.78124442
  H     14.15656513      7.25174811    -12.62851009
  O     16.51073820      3.55379474    -10.95030056
  H     12.11518534      3.76167126    -13.41227939
  H     13.74411917      6.09098674    -11.67597215
  O     17.84068576      6.48117326    -13.35124725
  H     13.57196592      3.67269350    -13.93203903
  H     12.82554684      4.62371396    -10.46772130
  O     12.05641639      6.98081725    -14.75965884
  H     16.70698565      4.47603314    -10.73534959
  H     11.80640314      5.44105284    -11.31298047
  O     14.20932218      0.67543661    -13.49942410
  H     15.55236567      3.44865906    -10.88850385
  H     15.91940368      0.78345758    -13.91131389
  O     14.31546892      0.31270717    -10.64049368
  H     17.89944672      5.56145019    -13.62946766
  H     17.14596053      0.17436878    -14.62944328
  O     17.75256431      9.35727875    -12.84279089
  H     17.58352219      6.44373073    -12.41672628
  H     11.34548316      5.86672929    -13.64410539
  O     16.66920358     10.26150425    -10.48504910
  H     12.67969889      6.78917131    -15.46801492
  H     10.03802314      5.21501811    -13.13913137
  O     14.93546107      4.74398738    -14.39818948
  H     12.44789629      7.73084046    -14.28677071
  H     15.95122413      6.36814977    -11.31251091
  O     16.01161355      8.19762339    -14.76031465
  H     14.13065250      0.43480638    -12.56803692
  H     16.68615914      6.83114526    -10.02930021
  O     13.89268392      9.89893743    -10.95861158
  H     13.63601462      1.44263746    -13.62330989
  H     17.09420492      3.61200018    -12.68523196
  O     14.44332072      6.40550688    -12.26073661
  H     15.28087070      0.40376107    -10.73732003
  H     17.31015219      2.68998341    -13.89804088
  O     12.42303728      5.49886942    -10.57025723
  H     14.16453984     -0.42771032    -10.05973547
  H     16.96672060      1.74797003    -10.93796999
  O     16.88427284      0.85894771    -14.01946655
  H     18.17087066      8.49001404    -12.87660871
  H     17.08850681      0.71947711    -12.07593731
  O     10.98175246      5.23020361    -13.00169913
  H     17.13796451      9.33510343    -13.58679527
  H     14.52219674      6.12711853    -17.28917248
  O     16.77744528      6.27403612    -10.81304308
  H     17.12270999     11.06722887    -10.24979892
  H     14.60857607      5.77949835    -15.78351215
  O     17.32058120      3.61666337    -13.62778439
  H     17.08124968      9.94349603    -11.30598003
  H     12.90918145      6.97183173     -9.56356546
  O     16.94280689      0.79837926    -11.12562703
  H     15.78618786      4.31624456    -14.23461088
  H     12.65334104      7.90368496     -8.36604462
  O     14.39311915      6.48768000    -16.41558941
  H     14.78006502      5.35577822    -13.66147495
  H     16.33305565      8.83134219     -9.28468636
  O     13.23191910      7.76733295     -9.11390631
  H     15.53644579      7.72653383    -15.45461593
  H     15.16078824      7.93346025     -8.82531470
  O     16.12177527      8.01663693     -8.80912506
  H     16.59223158      7.54938485    -14.33435806
  H     14.48154820      8.79967944    -13.87904284
  O     13.62729553      8.79969304    -13.42618485
  H     14.81757546     10.10250789    -10.76910335
  H     13.69780692      9.31425836    -12.60822793
          69
 Ord_Energy   -248.282928    
 O    4.42040300       2.71572971     -0.462092012    
 H    4.34422398       1.75504768     -0.545167983    
 H    4.40464401       2.88642836      0.486628026    
 O    4.04071283      -1.93220115       1.50774813    
 H    4.57020283      -2.71307874       1.64361382    
 H    3.13619471      -2.23716593       1.31156206    
 O  -0.686865926       3.51250291      -3.83114576    
 H  -0.129272968       4.29902935      -3.85035419    
 H   -1.10305417       3.48786330      -2.96157598    
 O    2.63182807       3.63031435      -2.29355001    
 H    3.34688807       3.37054467      -1.69360626    
 H    2.21981955       2.82666183      -2.63998365    
 O   -2.17430568     -0.419258952      0.889014423    
 H   -1.66684067     -0.266445160       8.35576579E-02
 H   -2.47287846      0.455281973       1.16687584    
 O    3.67761683       2.64494400E-02 -0.459350765    
 H    2.88055038      0.383344889      -3.93541418E-02
 H    3.99394059     -0.664586067      0.134692594    
 O  -0.800984263      -2.17990494       2.43492675    
 H   -1.39539945      -2.77238870       2.88715386    
 H   -1.35261190      -1.57529652       1.90750360    
 O    1.50900853      -2.66884732      0.847500920    
 H    1.21598208      -2.59070134      -6.79518282E-02
 H   0.720125377      -2.58791280       1.39693117    
 O   0.257403374       6.93422365      -1.71646786    
 H   0.655131876       6.59642315      -2.53406715    
 H  -0.353917181       7.61770773      -1.97926307    
 O   -2.72976923       2.33262753       1.36206818    
 H   -2.33587360       2.62277722      0.523694098    
 H   -3.55499458       2.80343485       1.45198607    
 O  -0.334155560      0.260264039      -1.20700562    
 H   0.264827043      0.501953840     -0.478911757    
 H  -0.111370377     -0.642170191      -1.47274780    
 O    4.13062859       2.90929508       2.38576150    
 H    3.98332071       1.99162304       2.67805719    
 H    4.75657272       3.29084325       2.99575543    
 O    2.67080951     -0.833999991      -2.90968442    
 H    3.14605737     -0.551008105      -2.11438537    
 H    2.29074526      -3.20545584E-02  -3.28969741    
 O    1.34526300      0.962802649      0.779966176    
 H    1.21144164      0.442862362       1.58374727    
 H    1.37135065       1.88093507       1.07594490    
 O   0.646617651      -2.26596045      -1.85848749    
 H    1.41511607      -1.84757245      -2.28884721    
 H   0.343938440      -2.95776892      -2.44048524    
 O  -0.646254480       2.21300840       3.37424994    
 H    4.64124605E-02   2.77749586       3.00024366    
 H   -1.39150012       2.27941656       2.76733994    
 O   0.861529469      -7.69696534E-02   3.33670712    
 H   0.299089283     -0.846043110       3.19514942    
 H   0.280903876      0.690197468       3.46664619    
 O    1.42516601       5.54150009      -3.84091020    
 H    1.96885061       4.91254282      -3.33503604    
 H    1.89140499       5.71111393      -4.65561247    
 O    1.41396189       3.49271059       1.99195695    
 H    2.36618924       3.45311308       2.14745140    
 H    1.24488533       4.01987600       1.19853866    
 O    1.13715684       1.50517893      -3.30885077    
 H   0.501337230       2.13417101      -3.68000054    
 H   0.659009218       1.03636098      -2.61329341    
 O   0.764377415       4.54637241     -0.450499326    
 H   0.543187261       5.44133186     -0.742649138    
 H    1.45507765       4.21544886      -1.04170263    
 O   -1.41573441       2.91121054      -1.02194190    
 H   -1.09138274       2.01468778      -1.17800295    
 H  -0.655484021       3.46183658     -0.779552519    
 O    3.62121320      0.356961101       3.19355321    
 H    2.69137502      0.212524369       3.41907001    
 H    3.88330293     -0.421043545       2.68800616    
          69
 Energy    -248.28292599992864     
  O     14.24944189      5.81031343     -7.98193947
  H     14.22268000      5.63158580     -7.04592062
  H     15.06063852      7.41841483    -13.09690331
  O     13.20954388      6.09629960    -15.94529851
  H     13.32833176      5.78985530     -8.30013768
  H     12.65434758      7.32903177    -13.20227543
  O     15.49718691      9.80070179    -14.57250522
  H     13.58310052      6.93298224    -16.25280630
  H     13.19560503      8.01204774    -11.90283070
  O      9.92509186      6.48847192    -12.03858482
  H     13.93480869      5.59263170    -15.55860687
  H     11.50645173      5.15430229     -9.64016966
  O     17.98972562      3.72500407    -11.38345196
  H     15.84087427      9.03777142    -14.09133071
  H     11.31960094      6.63005743     -9.22815697
  O     11.21610662      4.06837993    -11.16916851
  H     14.87144885     10.23674390    -13.97965927
  H     17.80671482      6.76995559    -13.88641042
  O     16.99930402      7.10531571    -10.67480565
  H     10.24779923      5.60512192    -11.82758936
  H     18.41305232      5.37391704    -14.12447319
  O     13.43796669     10.95125470    -12.94950150
  H     10.28069179      6.70938500    -12.91190170
  H     14.19456014      4.48518135    -12.97126108
  O     17.77591714      3.56222262    -14.08526171
  H     17.19504631      3.93424994    -10.87494298
  H     13.52383063      5.61279783    -12.17198763
  O     11.88400466      9.75382268    -15.08984840
  H     18.60592468      4.45181518    -11.23010293
  H     14.66068064      9.13022241    -15.96367389
  O     11.26294924      7.18608766    -14.35120204
  H     10.95968434      3.15669377    -11.28187704
  H     14.40388116      9.06349159    -17.48631358
  O     16.01899154      7.36249309    -13.24216400
  H     12.09942747      4.16297822    -11.56318061
  H     16.10734350      4.30304052    -14.42401345
  O     13.38116804      7.33645164    -12.56499358
  H     17.93796871      6.89725359    -10.75302377
  H     15.60154737      5.71455946    -14.06348089
  O     11.75176933      5.80647527     -8.97269223
  H     16.54592318      6.27042900    -10.48169340
  H     19.34027157      6.24215198    -12.28145707
  O     18.64090518      6.28731084    -13.90599659
  H     13.23786890     10.45281775    -12.14046880
  H     20.47227807      6.38655981    -11.23500379
  O     13.70437485      4.65907720    -12.15788031
  H     13.38700534     11.87554509    -12.71677968
  H     10.23792716      7.60811236    -10.77179502
  O     14.09153548      8.73543366    -16.64688638
  H     17.83835697      3.53169864    -13.11339198
  H      9.68723596      8.52881382     -9.65631738
  O     15.31976154      4.86102541    -14.42069311
  H     18.20293527      2.77682855    -14.41590519
  H     15.21142284      4.98883855     -9.33233519
  O     19.55550828      6.14635368    -11.33639454
  H     12.34553373     10.21884946    -14.38202793
  H     14.96066199      4.62345377    -10.82023465
  O     10.49254013      8.15848861    -10.00775234
  H     12.56620542      9.48360169    -15.71812292
  H     14.66486451      7.54027655     -8.70796061
  O     15.65075424      4.71963409    -10.14950888
  H     11.30201925      8.11390908    -14.62739811
  H     15.70182164      8.08726468     -9.69811720
  O     14.89127747      8.32060127     -9.22791733
  H     11.81773574      6.68268474    -14.96591233
  H     12.04955201      9.05413249    -10.42839379
  O     12.89879258      9.38070674    -10.75229799
  H     16.41656470      7.33225521    -12.36003841
  H     13.59501696      9.08771660    -10.14261030
          69
 Energy    -248.28289820126014     
  O      1.41895832      0.47648946      4.23490774
  H      2.17947248      0.82798968      4.69167630
  H     -3.60254068     -2.16354965      4.20414517
  O     -0.46907262     -0.65086612     -3.44144366
  H      0.86465214      0.04627210      4.90892617
  H     -4.39060271      2.88954187      2.47368473
  O     -0.31223050     -0.56134586      6.09545936
  H     -0.22431565     -1.55328646     -3.20343001
  H     -4.68682745      4.09381059      1.55263705
  O     -2.21195996     -0.09791108     -1.30722072
  H     -1.21415269     -0.42459942     -2.86687753
  H     -2.11517434      1.36729704      5.01420388
  O      0.36383643     -3.13738600     -2.21371627
  H     -1.10711547     -0.01007548      6.13906358
  H     -3.05403462      0.16198701      5.37675312
  O      2.06688760     -1.44860024     -0.93130519
  H     -0.60267861     -1.45047652      6.28872054
  H     -2.26782843      3.32703033      1.34686727
  O     -4.79164469      2.06159348      3.97804971
  H     -1.48037022      0.36082274     -0.86865075
  H     -0.95922753      2.68309593      0.78755182
  O     -3.05401486     -3.53748345      3.18852308
  H     -3.01760050      0.23050840     -0.88799342
  H     -3.55167137      0.40045350      1.09885637
  O     -1.00290748      1.84980893      3.67692967
  H      0.85474845     -3.86127066     -2.59310039
  H     -4.30110506      1.67284753      0.66371419
  O      1.49152872      0.93725932     -2.41786517
  H      1.00440677     -2.59365452     -1.72038335
  H     -1.93240386      0.57033581      2.77991837
  O     -6.30958906     -0.37661460      3.75005396
  H      2.04817880     -0.62669011     -1.43711634
  H     -2.98603848     -0.52063031      3.12422633
  O     -3.80301386     -1.29151527      4.57590155
  H      1.91695307     -1.19458232     -0.01139296
  H     -1.24067257     -3.07482153     -1.28639837
  O     -4.19513531      3.27816919      1.60235433
  H     -4.17100711      1.86307082      4.68736592
  H     -2.13696744     -1.85759743     -0.95557895
  O     -2.66772570      0.98518945      5.71557642
  H     -5.37560416      1.29592586      3.90958433
  H      0.53976161     -1.27045906      1.71278759
  O     -1.30642703      3.31806281      1.42883262
  H     -2.17911122     -3.29606723      2.85762675
  H      1.39066601     -0.23466923      2.49291656
  O     -4.16136145      0.74849366      0.42694018
  H     -3.58559543     -3.66179274      2.39286409
  H      0.49080764      1.31336643     -0.87317663
  O     -2.46211610     -0.14504097      2.40383958
  H     -0.09647345      1.54469128      3.79130628
  H      0.34255091      0.67468004      0.53121161
  O     -2.00335404     -2.79846099     -0.76293419
  H     -1.02693666      2.49074096      2.95032725
  H     -1.18777071     -2.58998346      0.89470885
  O      1.19893806     -0.56718694      1.60895330
  H      0.81378452      0.42364394     -2.89309895
  H     -1.45501871     -1.53838747      1.99243209
  O     -0.09367195      1.25678438     -0.10630590
  H      1.92634084      1.48754479     -3.06313222
  H     -3.50436329     -3.37094833      0.06122326
  O     -0.91031904     -2.31377825      1.77749668
  H     -6.21443246     -0.72417940      2.84470517
  H     -4.67821020     -4.36676979      0.14808686
  O     -4.28891028     -3.61018518      0.58109079
  H     -7.21581029     -0.51998556      4.00843705
  H     -5.37226325     -0.56503972      0.83928694
  O     -5.85089500     -1.29574396      1.25611001
  H     -4.73005031     -1.09256937      4.38940891
  H     -5.37607748     -2.09970848      1.01734725
          69
 Energy    -248.28286599460415     
  O     18.01731710     10.61844237    -14.26610301
  H     18.62947964     10.93459842    -14.92655669
  H     15.35805985      8.81379395    -10.97749699
  O     18.40434762      8.62044965    -10.75540940
  H     18.27108420      9.70166718    -14.06882923
  H     15.29246958      7.89990612    -13.09307997
  O     13.14709214      9.31015119    -15.59904293
  H     17.48717674      8.64122230    -10.44833975
  H     14.83987742      9.37508429    -13.14704837
  O     17.78618393      3.51979825    -11.82595430
  H     18.86872916      7.93896506    -10.25515972
  H     12.64011373      6.03382542    -13.27611635
  O     14.14325898      6.62465464    -15.94042377
  H     13.87203226      9.86670173    -15.28089764
  H     13.78940481      5.00853044    -13.25166873
  O     15.10259047      6.18045164     -9.78075076
  H     13.51801758      8.43679381    -15.76924399
  H     18.88902589      5.85325709     -9.36764288
  O     11.90438660     10.78859905    -11.67961231
  H     18.17347615      2.68144521    -12.06221032
  H     20.28595589      6.29977787     -8.86808167
  O     19.54532116      5.54326476    -12.29746989
  H     18.43104234      4.20757948    -12.07073422
  H     15.99995336      5.99803152    -13.49109242
  O     15.99676178     11.69285632     -9.92263018
  H     14.01481015      6.14247147    -16.75315035
  H     15.64683481      6.68658506    -14.84659700
  O     14.29022185     12.15850245    -12.17959467
  H     13.68680493      6.12424796    -15.23965284
  H     18.13466255     11.25176001    -12.42636231
  O     15.17162868     10.73789589    -14.30449590
  H     15.32607281      7.12042409     -9.75542871
  H     18.44854213     10.43239596    -11.16447191
  O     15.71656700      8.88911558    -10.07853806
  H     14.14136179      6.12247590     -9.68354573
  H     17.77704621      7.54820026    -13.73827289
  O     14.77620174      8.56590618    -12.62240980
  H     11.52686764     10.45830679    -12.50659161
  H     18.49377984      8.21712939    -12.51679575
  O     13.06907427      5.34611320    -13.80102542
  H     11.97650822     10.01587116    -11.11902316
  H     16.63853766      5.24557866     -9.31478965
  O     19.65074910      6.42747096     -9.56693359
  H     19.36783264      6.32699448    -12.82931710
  H     17.55647447      4.23208702    -10.03432162
  O     16.25134012      6.71302273    -14.09421932
  H     19.73771169      5.86182617    -11.40608478
  H     10.19477086      9.56959814    -14.51468005
  O     18.19606336     11.31652157    -11.46682423
  H     16.15780299     12.33999147     -9.24110703
  H     11.73185408      9.41606336    -14.61903723
  O     18.57439376      8.02755437    -13.46449976
  H     16.80276560     11.65289466    -10.46900042
  H     16.14234729      4.27719086    -12.13871644
  O     17.50319338      4.81478688     -9.26720756
  H     13.42425951     11.77938772    -11.97160497
  H     15.26295915      5.32390979    -11.40087574
  O     10.98153253      9.42588180    -13.99684929
  H     14.81969929     12.07883544    -11.37842877
  H     12.19787457      6.69082990    -10.70209311
  O     15.38004650      4.86109450    -12.24250564
  H     14.88839364     11.37136173    -13.62413843
  H     11.58750228      5.64988084     -9.74819243
  O     12.34973300      6.20990126     -9.87321519
  H     16.13343101     10.76508902    -14.35775412
  H     11.63962264      8.11945655    -12.84087007
  O     12.20884329      7.58277638    -12.27609729
  H     15.71697792      9.82992060     -9.86446744
  H     13.10465847      7.94090048    -12.37783747
          69
 Energy    -248.28273340937574     
  O      9.70270245     11.57716262    -10.15115167
  H      9.92019712     11.39548493    -11.08123728
  H     12.60629035     13.56692670    -12.79502381
  O     13.07757467      9.75718632    -16.80649511
  H      8.76569309     11.75276695    -10.11635077
  H     15.34240311      7.79597409    -13.51759361
  O     11.72878810      7.08113074    -10.86929511
  H     12.67379767     10.60492612    -16.54663090
  H     16.30771158      6.60364892    -13.43114086
  O     14.10099591      8.80140426    -14.38065291
  H     13.37656406      9.86070964    -17.70575868
  H     13.00404918     15.71871190    -11.44887187
  O     11.79319436     12.01203223    -15.98995582
  H     11.39739066      7.71951174    -10.22411430
  H     13.82204095     14.43944262    -11.15362973
  O     11.62161127      8.52298698    -13.19787457
  H     12.68699333      7.05631086    -10.73817566
  H     14.99320094      7.57628681     -9.75663895
  O     15.58423342      8.05714744     -8.04755201
  H     13.87355997      9.07407637    -15.27827678
  H     15.10438826      7.40182822    -11.31966724
  O     13.52797933     10.13365967    -10.71797960
  H     13.26119171      8.64910942    -13.91947672
  H     17.89860708     11.57808801    -11.70815368
  O     13.33616731      9.42459325     -7.33968330
  H     12.08520929     12.42717587    -15.16728589
  H     16.87343045     11.13455422    -10.64117794
  O     15.25610075     13.67223075    -10.52076256
  H     10.87319319     11.76089044    -15.84376487
  H      9.92530029     11.04580042    -13.55180910
  O     11.27759904      9.38187451     -9.27916672
  H     11.59781019      7.93924431    -12.42625222
  H     11.18238212     11.71466701    -12.93340268
  O     12.52612265     12.82090028    -13.40088269
  H     11.25930464      9.37598823    -12.92981277
  H     13.25151321     12.43544749     -8.66065396
  O     15.94583673      7.32457383    -12.92115168
  H     15.90927239      7.51996501     -7.33012107
  H     13.92193125     11.23958110     -9.36871390
  O     12.94894761     14.76666359    -11.43696055
  H     14.76387157      8.47861233     -7.73265639
  H     14.61642177     10.34772942    -13.56014495
  O     14.49490340      7.54359122    -10.58201814
  H     13.83017411     10.54128221    -11.53654164
  H     15.53351747     11.23389578    -12.63314459
  O     16.96503706     11.55210136    -11.51574433
  H     13.90033879      9.24015006    -10.69205643
  H      8.38574856     10.88429002    -15.67800569
  O     10.45822742     11.09847167    -12.74792435
  H     12.52329822      9.27639797     -7.84131364
  H      9.64959749     10.00510221    -15.51690231
  O     14.04738044     11.88213085     -8.64981862
  H     13.56097805     10.34804815     -7.50533373
  H     16.37358011      9.67764211     -8.69869627
  O     14.66607178     11.16901286    -13.05275161
  H     14.91489362     13.15872228     -9.77693769
  H     15.82326807     11.11086782     -8.67606473
  O      9.25034627     10.86151439    -15.27790413
  H     15.91035682     13.10628989    -10.94414391
  H     12.03998751     13.86233661     -9.96926831
  O     16.55641937     10.57438127     -9.00323527
  H     12.01843349      9.65961242     -9.84185957
  H     11.04998056     12.77306521     -9.49753317
  O     11.79031447     13.32132669     -9.21058083
  H     10.60062368     10.05425067     -9.40968967
  H     10.91169209      8.37815177    -14.90144032
  O     10.62588913      8.58593007    -15.80348700
  H     13.33856493     12.29854590    -13.31497315
  H     11.42827352      8.83398723    -16.27745328
          69
 Energy    -248.28271594944130     
  O     12.44289323     12.53787169    -13.20433997
  H     12.13233870     13.43306506    -13.09388170
  H     16.51164037      5.77198501    -13.15886347
  O     19.00820957      9.48153592    -12.46691933
  H     13.28903967     12.59063133    -13.67961197
  H     13.15782551      9.83084137    -17.50209932
  O     15.63583040     10.34600164    -11.26855232
  H     18.82736365      9.61536602    -13.40340699
  H     12.15468594     10.60564020    -16.60435098
  O     11.31752090     10.56392894    -15.00101782
  H     18.76566892     10.30559036    -12.02687019
  H     16.43222219      9.78459732    -14.36125395
  O     13.91946450      7.85576180    -14.82951421
  H     15.82376187      9.44375811    -10.96937116
  H     15.62430572      9.98376017    -13.03569641
  O     14.70804463      6.18626138    -12.73260024
  H     16.42635809     10.88620646    -11.15629533
  H     13.82929254     11.94283132    -17.43820908
  O     18.57579725      7.17992536    -11.10348586
  H     11.28333268      9.77758607    -14.44313289
  H     14.41676402     13.23489846    -18.06347187
  O     14.80798232     12.43295941    -14.61391019
  H     11.59305937     11.28164346    -14.41915793
  H     12.94443831      8.87893622    -10.20189357
  O     18.51597511      7.23013140    -15.42251363
  H     13.07947693      8.02519396    -14.38261635
  H     14.10433824      7.91187127     -9.87827558
  O     15.86194496      7.67909036    -10.64613815
  H     14.51633164      8.57174888    -14.55475730
  H     17.56602223     10.13821930    -16.00602886
  O     16.41272018     10.40551845    -17.29912083
  H     14.50263935      6.69444087    -13.53000219
  H     18.28240940      8.95406593    -15.30846535
  O     17.45779773      5.80002930    -13.34657708
  H     13.85799523      5.97598573    -12.32789481
  H     17.88881127     11.74777739    -14.49139787
  O     12.69598789     10.67135052    -17.40515523
  H     19.36550784      6.94328526    -10.62498620
  H     16.66734429     12.64731338    -14.20305644
  O     15.54345363      9.82940315    -13.98589770
  H     18.77946196      7.99197805    -11.60185143
  H     18.39147354     12.59542855    -10.87812556
  O     14.55796969     12.58978363    -17.37700251
  H     14.98252374     11.48849710    -14.48216417
  H     17.85695203     12.21696678    -12.28245682
  O     13.14583139      8.01658530     -9.81623995
  H     14.71736298     12.57643086    -15.56585528
  H     12.62199662     11.15180215    -11.93865171
  O     18.05419547      9.89190312    -15.20266673
  H     19.04174335      6.63726004    -15.95273296
  H     13.84472308     10.42488525    -11.34818743
  O     17.59598069     12.50850834    -13.97569212
  H     18.12294377      6.68572615    -14.72036821
  H     11.70836785      7.60173175    -12.67405159
  O     17.97853657     11.89226428    -11.37138617
  H     16.80270022      7.46285173    -10.64113585
  H     12.15482762      9.07794578    -12.57008085
  O     12.88392431     10.35920879    -11.45458225
  H     15.47423510      7.18434798    -11.38296306
  H     11.56850838      5.50571813    -11.07466695
  O     11.76340303      8.42604074    -13.17077410
  H     15.79260131      9.67410230    -17.41370259
  H     12.43820258      6.75920149    -10.81025093
  O     12.14055662      6.13845450    -11.50007845
  H     15.89171319     11.20941972    -17.40724370
  H     14.20840940      8.08113924    -16.55969219
  O     14.39577091      8.36079680    -17.47158638
  H     17.87791490      6.15701096    -12.55424530
  H     14.39796464      7.56998408    -18.00485900
          69
 Energy    -248.28265940922904     
  O     15.80407284      4.97970404    -12.21746181
  H     14.86746789      4.86513518    -12.01326512
  H     17.96188100      5.09110705    -14.61874936
  O     15.35272463     12.35250085    -12.59866267
  H     15.97853400      4.52417040    -13.05105665
  H     16.50732801     10.72078101    -15.53856592
  O     17.46870767     11.42643683    -14.21527973
  H     15.44628529     11.75268621    -11.84979053
  H     16.22607655      9.30192758    -16.09283676
  O     11.30124781      7.76137621    -16.00678832
  H     14.67722634     11.96647217    -13.17061999
  H     15.24244285      8.09551978    -12.89593596
  O     15.93549157      7.89427536     -9.02050684
  H     16.83384144     11.91037270    -13.66836185
  H     15.99684935      6.73769487    -12.78975361
  O     12.83902268      6.78217691    -13.83004627
  H     17.85300469     10.75832095    -13.63548039
  H     13.37281177      7.92365703    -10.84818885
  O     13.71724171     10.77676539    -14.41055333
  H     11.69834007      7.37409299    -15.21628598
  H     14.25450462      7.39340480     -9.70189720
  O     13.79777567      9.62797245    -17.85383603
  H     11.80738266      7.41422122    -16.75172744
  H     18.30108298      6.44804763    -10.95185139
  O     16.28070671      4.01360882    -14.80103908
  H     16.55269659      7.30447172     -9.48981210
  H     16.99209826      5.63435804    -10.94295833
  O     16.67491080      7.54954966    -15.81356099
  H     16.17996495      7.87147982     -8.09904186
  H     12.43288531      4.37872506    -11.25075101
  O     14.46492622      5.76240335    -15.93485290
  H     12.78865094      6.08847953    -13.16009703
  H     13.14099974      5.74178654    -11.03682288
  O     18.56979287      5.83734340    -14.58878210
  H     13.08037729      7.58939504    -13.36049198
  H     17.35441626      8.72708636    -12.67667481
  O     15.88564012     10.20614925    -16.07579586
  H     12.93523376     10.79247777    -14.97461764
  H     18.81604302      8.69881827    -12.25832642
  O     16.04099401      7.62651953    -13.16298698
  H     14.47349039     10.57607702    -14.98187372
  H     19.27859247      6.50615328    -13.09302802
  O     13.44518766      7.21434214    -10.19766629
  H     14.58224888      9.91727192    -17.36804650
  H     20.54600228      6.68596857    -12.23260523
  O     17.54845537      6.20737898    -10.39839117
  H     13.04689869     10.05132590    -17.42085789
  H     15.89062528      9.44882715    -10.08409066
  O     13.04273388      4.99125740    -11.65244918
  H     16.26946207      3.16512931    -15.23709903
  H     16.71462322      9.95380754    -11.28168393
  O     18.07624923      9.30257017    -12.37742242
  H     15.63793713      4.57498384    -15.26649167
  H     13.45579712      7.93980487    -18.03789734
  O     19.61527934      6.89211960    -12.26601993
  H     15.97839989      6.95204477    -16.10849379
  H     13.00229080      6.79580729    -18.97531105
  O     15.87461067     10.07807722    -10.81627702
  H     16.50713256      7.64670640    -14.86111128
  H     10.76136805     10.90055325    -16.39439622
  O     13.17367948      7.00681461    -18.06161036
  H     13.96081297      6.12630042    -15.19397279
  H     11.39344844      9.51618438    -16.10578551
  O     11.58843659     10.46451519    -16.20870014
  H     14.02945283      6.07291708    -16.73976438
  H     13.66467834      9.68655408    -13.06353601
  O     13.79745775      9.06637895    -12.32979261
  H     18.15182584      6.50290379    -15.15097349
  H     14.46211229      9.47032246    -11.74940831
          69
 Energy    -248.28250753001944     
  O     16.35841278     11.46934496    -13.33855120
  H     16.30090778     11.06666076    -12.45893334
  H     16.31594907      5.20486805    -15.12703477
  O     16.01306257      5.84656446    -16.74412769
  H     16.76246654     12.32647116    -13.21441432
  H     13.28619406      7.97597397    -10.30007835
  O     12.31329700      6.59584114    -12.98133716
  H     16.22086262      6.74492362    -17.02660360
  H     12.96004140      6.82172881    -11.28748737
  O     14.10070517      4.58954945     -9.38835274
  H     15.05785120      5.73654619    -16.82478667
  H     13.87210876      8.94563736    -13.50232521
  O     13.20401351      5.14366070    -16.55457440
  H     11.52717687      7.07060078    -13.27332340
  H     15.18925930      8.07741821    -13.67063086
  O     13.90062164     11.54042467    -14.86152163
  H     13.05919241      7.07448111    -13.38118897
  H     17.47623716      8.71868109    -14.40037030
  O     16.67163520      8.55398316    -17.41218787
  H     13.79822239      5.45948924     -9.69863670
  H     17.19989369     10.22004909    -14.54114602
  O     16.89459858      5.07411778     -9.83946701
  H     13.62083998      4.40476571     -8.58474344
  H     10.95355076      8.15975862    -15.05951422
  O     14.10282786      9.24997129    -16.52492038
  H     13.28369797      4.77162391    -15.66094413
  H      9.62529472      8.56097672    -14.37389081
  O     14.42056654      2.96935324    -11.72974490
  H     12.92019244      4.42707445    -17.11859754
  H     12.83932542     10.76850773    -13.64619686
  O     17.23534442      3.41738544    -12.14643126
  H     14.75507044     11.55542299    -14.41342434
  H     11.75854336      9.66217680    -13.40005302
  O     16.23912428      4.94233072    -14.19698347
  H     13.97642464     10.88873139    -15.57184665
  H     12.98537265      5.04179866    -13.55462305
  O     13.40389802      7.02611668    -10.45353032
  H     17.04320504      8.90532419    -16.58253467
  H     13.72220721      3.72011195    -13.19813962
  O     14.27814304      8.19802271    -13.96255265
  H     17.26782139      8.80896578    -18.11089356
  H     12.52599480      8.28467492    -16.67123332
  O     17.55240682      9.46089954    -15.01791346
  H     16.00512552      4.81397435     -9.56659333
  H     12.22245785      6.78330592    -16.52681188
  O     10.55310036      8.41838622    -14.20906645
  H     17.11879234      4.50109417    -10.58340136
  H     14.26339450     10.11114577    -10.44452014
  O     12.48521615     10.14765913    -12.99128661
  H     14.92941472      9.07562344    -16.98979087
  H     12.96448550      9.97965264    -11.25932581
  O     13.50334358      4.31520432    -13.93021522
  H     14.18812951      8.81613527    -15.66057718
  H     16.73624873      7.46998669    -12.28266579
  O     11.81526591      7.65662812    -16.48109217
  H     15.38200281      2.95336682    -11.81012867
  H     16.71331339      6.56516640    -13.55121076
  O     13.37014673      9.75556998    -10.40774287
  H     14.23575485      3.44826639    -10.91220059
  H     16.66892653     10.69507453     -9.99566831
  O     16.87137600      7.46668156    -13.23855836
  H     17.93512297      2.83162176    -12.42412628
  H     16.28544768      9.36257633    -10.66608166
  O     16.22718505     10.32861087    -10.75903697
  H     16.98780298      3.94410669    -12.92508719
  H     15.21342138      7.42371730    -10.57658411
  O     16.16579452      7.59057480    -10.56966776
  H     15.30354447      4.74835775    -14.05061268
  H     16.57766050      6.77768226    -10.24124095
          69
 Energy    -248.28244917722532     
  O     17.25835882     10.85205176    -10.99748825
  H     16.62551308     10.43208645    -11.59515423
  H     13.51593110     10.41583415    -10.02637485
  O     14.31544000      6.05998910     -7.52527401
  H     18.10968601     10.41410396    -11.13946909
  H     18.90220941      5.15711133    -13.67518409
  O     16.98762681     12.94286559     -9.26682235
  H     14.08332529      5.31900738     -6.97217742
  H     17.45522078      5.51878490    -13.26928496
  O     12.75249983      7.31966037     -9.62053407
  H     14.55910504      6.78877886     -6.92644052
  H     16.33487282      7.58669059     -9.21854910
  O     15.59052385      9.35377705    -12.67021291
  H     16.77439962     13.75556756     -9.71903818
  H     15.73315210      6.24773702     -8.74291575
  O     19.51983670      9.33735397    -11.37133307
  H     17.03530291     12.25250940     -9.94920020
  H     18.67147591      8.95279322    -13.05754366
  O     21.08911959     10.25725778     -9.24642032
  H     12.90811036      8.25577778     -9.43659468
  H     18.16601575      7.62774424    -13.63761749
  O     18.84703836      6.75282989    -10.52482637
  H     13.16607161      6.84071261     -8.89158686
  H     17.48718467     11.80844185     -5.85079015
  O     16.03594950     12.27655873     -6.64380518
  H     15.23505732      8.53359126    -12.30101858
  H     18.47559478     11.81385775     -4.65577326
  O     13.55918588     10.99725542    -11.74627704
  H     16.38750777      9.11237169    -13.16489976
  H     16.78099003      9.32571867     -8.09362507
  O     13.71060244     10.63260053     -6.53533185
  H     20.16777137      9.68312239    -10.74507558
  H     16.72705417      9.85657583     -9.57321332
  O     13.61520470      9.98550793     -9.16667459
  H     19.28330406      8.45035725    -11.06113555
  H     18.68481076     12.46090924     -8.50077073
  O     18.38825318      5.76844242    -13.15355338
  H     20.52814746     10.93941915     -8.83544697
  H     19.19825280     11.89219982     -7.16559443
  O     16.34976972      6.62936110     -9.37895696
  H     21.99252798     10.54153825     -9.13833436
  H     14.60667387      8.98120624     -6.06039084
  O     18.03839484      8.58265987    -13.68628245
  H     18.78520757      6.32892900    -11.38943002
  H     16.01520956      8.34642736     -6.05991255
  O     18.35123347     11.47886699     -5.53904111
  H     17.98958359      6.61266131    -10.09583429
  H     15.34690664      6.77232438    -10.88420813
  O     16.26926118      9.32190935     -8.91397536
  H     16.21301100     12.49280005     -7.56773660
  H     13.85254722      7.05601194    -11.05061331
  O     19.45691850     12.06651796     -8.07941554
  H     15.22571296     11.75394228     -6.61780904
  H     20.31173874      8.70561059     -8.42329319
  O     15.07429823      8.14379592     -5.96320660
  H     14.23520684     10.46465127    -12.19452746
  H     19.57993139      7.42114570     -8.85197482
  O     14.67157566      6.95088645    -11.55424235
  H     12.92380036     11.23166908    -12.41842496
  H     18.00586457      9.75006302     -6.14637998
  O     19.78368543      7.97148894     -8.08640145
  H     12.86573031     10.87039470     -6.16166586
  H     18.45909539      8.53689057     -7.02397817
  O     17.70010886      8.94460316     -6.57968361
  H     13.55752491     10.44426044     -7.47769522
  H     15.25522762      5.81967432    -12.80958416
  O     15.72724966      5.24479584    -13.43368596
  H     14.54531586      9.72051715     -9.08593421
  H     15.06448706      4.89582016    -14.02373650
          69
 Energy    -248.28240530172536     
  O     12.27297355      9.79653349    -10.78570179
  H     11.68075344     10.55389323    -10.72878912
  H     13.40083623      8.03261986    -13.19757391
  O     11.59558729      7.99823096    -12.79230143
  H     12.02658107      9.26906653    -11.55711986
  H     14.43370615     14.13084338     -8.91311617
  O      8.79339879     10.76883674    -12.08606626
  H     11.00547896      8.46075504    -13.40070025
  H     14.38505617     14.48736786     -7.41054660
  O     14.90223116     10.17471393    -10.20772887
  H     11.04865390      7.52448465    -12.14758375
  H     11.91286426      8.33371289     -7.98131414
  O     15.75819093      7.58591283    -10.95472749
  H      8.47418672     10.05526708    -11.51953899
  H     12.09651213      8.55147310     -9.49118774
  O     12.60711186     15.79278469    -11.42407151
  H      9.12206409     10.36140900    -12.89651345
  H     11.78146080      9.79445036     -5.82719566
  O      8.12597632      8.86219923    -10.07742488
  H     13.96701530     10.05601363    -10.44472683
  H     12.51708361     10.27111429     -7.10312556
  O     12.41257428     13.20774615    -12.47976815
  H     15.33215957      9.33227879    -10.39366356
  H     13.30859472      5.35123147    -10.15623443
  O     15.03189841     14.54815335    -10.50477604
  H     16.60542988      7.15188395    -10.89765833
  H     13.22730759      6.65218150     -9.34441399
  O     10.12771712      6.95418452    -10.70853139
  H     15.11478253      7.00087090    -10.51813063
  H     15.05383296     11.52936178    -11.39850269
  O     11.47970941     14.51257394     -9.30388301
  H     12.14379920     15.43814306    -10.64322342
  H     15.03808313     11.74092267    -12.93256967
  O     14.33271934      8.23326866    -13.36052519
  H     12.25898925     16.66572611    -11.58119146
  H     10.73590869     10.30551515    -14.52449769
  O     13.98672409     13.92752617     -8.07244977
  H      8.62872080      9.41740024     -9.45429655
  H      9.60609599      9.54392113    -15.26069258
  O     12.02806962      7.86162893     -8.81297105
  H      7.25417409      8.75615071     -9.70557362
  H      9.91746897     11.74383252    -11.17275071
  O     11.74495437      9.77128368     -6.77913061
  H     13.29658324     12.85264091    -12.30549733
  H     11.26188581     12.52296632    -11.29581479
  O     13.84587519      6.04912842     -9.78738028
  H     12.44619864     14.15272919    -12.28846914
  H      9.98208392     11.18984414     -9.09906096
  O     14.98513408     12.20568192    -12.08790806
  H     14.33651154     15.08648024    -10.90289015
  H     10.30101341     10.29891311     -7.87586728
  O     10.01682995      9.65702938    -14.40795405
  H     15.16776551     13.79632293    -11.09671803
  H     12.05431463     12.11914237    -13.93487371
  O     10.65336816     12.11773842    -10.66021678
  H      9.35793640      7.51694863    -10.55299577
  H     12.97652145     11.12337669    -14.65218769
  O      9.60946228     10.52304688     -8.51030366
  H     10.70745495      7.11540448     -9.95282582
  H     15.39485454     10.54739551    -15.18475056
  O     12.05635275     11.40434989    -14.58522067
  H     12.24591202     14.25756811     -8.77323884
  H     14.66352754      9.76309543    -14.06834794
  O     14.81036316     10.65273215    -14.43898373
  H     11.07708900     13.69376669     -9.61721506
  H     13.90226140     12.08848115     -7.83363939
  O     13.85061000     11.12718841     -7.76886342
  H     14.82273058      7.96248285    -12.57591679
  H     14.33138506     10.77906610     -8.53037258
          69
 Energy    -248.28239457359422     
  O     -2.01724710     -2.09739571     -2.34678179
  H     -1.80342215     -2.81869718     -1.73892251
  H      2.79673844     -1.55775615      0.67820519
  O      1.96574347     -3.96263899     -1.04092518
  H     -1.18854288     -1.59379501     -2.41259087
  H     -0.95829800     -0.62048831      1.30583749
  O      0.11960384     -2.77156188     -6.06469785
  H      2.22670640     -3.55945150     -0.20436689
  H     -1.51486354      0.54974839      2.15366218
  O     -0.33339260     -2.22787932      1.26486564
  H      2.30020747     -3.36949963     -1.73034038
  H      0.26767206     -0.34721168     -4.12195448
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  H     -0.62733248     -2.92933476      0.67206926
  H      0.47352038      1.88909613     -1.07909693
  O     -2.69494141     -2.43191476     -6.66072334
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  H     -1.46663370     -5.45541721     -3.44955466
  O     -3.05281813      0.18763547     -0.93196865
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  H     -1.80616901     -6.88336674     -2.95695766
  O     -2.32628030      1.85302765     -3.01676222
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  O     -1.22191403     -6.14503040     -2.80688745
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  H      3.10592177     -2.41748761      1.92707421
  H      0.65369232     -5.99567466     -3.11383406
          69
 Energy    -248.28226136070248     
  O     -0.79796796     -0.66460376      3.39496864
  H     -0.65427773     -0.31247846      2.50679893
  H      2.12835178      2.72610736      0.55983496
  O     -0.51429028      0.31984894      7.57337592
  H     -1.73859476     -0.52666127      3.59227302
  H     -1.37739109      3.54815203      3.68649432
  O     -6.24909098     -0.00945203      1.82017913
  H     -0.87813697     -0.54264309      7.30229897
  H     -0.96360863      2.46388106      4.69866963
  O     -4.91965623     -2.28595296      2.71597213
  H     -0.08867982      0.18699115      8.41587232
  H     -0.07187363      3.55281077      1.67723338
  O     -2.75794160     -3.71639673      1.56287388
  H     -6.35946639      0.51517318      2.61963279
  H     -1.57380022      3.55269174      1.37090351
  O     -0.62857867      0.55343115      0.90219054
  H     -5.96172830     -0.88750204      2.11090115
  H     -1.99510013      1.47068313      7.21641631
  O     -2.41761611     -1.47596885      0.09430623
  H     -4.36926695     -1.57313287      3.08021609
  H     -2.42396942      2.52005835      6.16962769
  O     -1.62417868     -2.01165356      6.79212458
  H     -4.31393215     -2.85836572      2.22940027
  H      2.87599156      2.96555984      4.29911253
  O     -4.41329252     -2.21187989      7.41888429
  H     -2.57817181     -2.93376431      1.01007609
  H      1.72201746      1.94999464      4.25027569
  O     -4.27159515     -3.57511084      5.11822304
  H     -2.71412339     -4.47437266      0.98620911
  H     -3.81374962     -0.15417751      4.72535813
  O     -2.84036774      2.24269841      0.66009405
  H      0.15821283      1.11115957      0.90863225
  H     -3.60666773      0.64460900      3.42206023
  O      1.44513832      2.45080435      1.16563379
  H     -1.38444246      1.15624805      0.83569204
  H     -5.23183239      0.23960643      0.40743932
  O     -1.65041262      3.11729709      4.51060023
  H     -3.19065924     -0.93027616     -0.09439931
  H     -5.17573228      0.30018929     -1.13446408
  O     -0.91076018      3.93709349      1.95788231
  H     -1.69251163     -0.86278352      0.26904969
  H     -4.11841451      0.91359455      6.55434511
  O     -2.75425468      1.97050862      6.89115242
  H     -1.53850685     -2.50562178      5.96924434
  H     -4.73894735     -0.51835572      6.73730189
  O      2.40484753      2.38125512      3.71059290
  H     -2.54109449     -2.10756401      7.07773402
  H     -7.12279672      1.95566185      4.71545823
  O     -3.44847308     -0.21483454      3.83346807
  H     -4.80334320     -2.71903733      8.12534536
  H     -5.89658477      1.07884786      5.05313328
  O     -4.62872437      0.30995434     -0.35313354
  H     -4.45883328     -2.76301351      6.61504745
  H     -1.16469510     -2.38616718      3.90265261
  O     -4.79575441      0.29861862      6.22824173
  H     -4.73907123     -3.22434577      4.34969562
  H     -1.94016056     -3.54490705      3.28904086
  O     -6.34698345      1.55293064      4.33353188
  H     -3.33929141     -3.55503341      4.86480509
  H      0.00346286      0.47614226      4.48948529
  O     -1.60936656     -3.21477182      4.13478524
  H     -3.28934145      2.37874970      1.50959951
  H      0.16664533      0.91172689      5.97296631
  O      0.34170775      1.18054858      5.06326366
  H     -3.43441583      1.68055129      0.14881870
  H     -4.79654456      2.36251513      3.60127412
  O     -3.95837214      2.43947948      3.13160500
  H      1.85056318      2.41651922      2.04912560
  H     -3.26394854      2.73082845      3.74082312
          69
 Energy    -248.28211539274432     
  O     14.91756907     12.09045568    -14.30622255
  H     15.58495727     11.62240987    -13.78566451
  H     13.67768115      5.84596450    -16.54357940
  O     14.50937670      6.22466834    -13.50855121
  H     14.97002658     11.70974295    -15.19159067
  H     19.70228889      5.40750027    -15.08301715
  O     18.35937827      8.44776465    -11.93076528
  H     13.94651040      5.90193144    -14.22400018
  H     19.23627468      6.86032663    -14.80695024
  O     18.02206663      9.92602350    -16.67129279
  H     13.95962838      6.65137385    -12.83565626
  H     15.09645617      7.70459982    -14.34819805
  O     11.98122378      8.18541768    -16.08217279
  H     18.37354144      8.44818730    -10.96591728
  H     16.15867376      7.93711231    -15.44532793
  O     15.41630268      8.93936814     -8.82268760
  H     17.91197842      7.63028977    -12.19547885
  H     13.45001115     11.92000477    -13.35704424
  O     13.21099620      7.63987153    -11.52834664
  H     18.50585174     10.54207603    -17.21658336
  H     12.20744631     12.53653571    -12.67171097
  O     16.46537537     10.18924271    -12.91312830
  H     17.09729840     10.22224448    -16.67749291
  H     17.28697615      6.49970657     -9.62179017
  O     14.64787394      6.59669605    -17.78778658
  H     12.22203293      7.26301244    -15.94559494
  H     16.93168192      5.71121851    -10.89807807
  O     14.19220585      6.36204780     -9.22769256
  H     11.85381432      8.56347954    -15.19970723
  H     12.01308720     10.02625098    -13.27416249
  O     17.20492304      7.21388596    -16.80301405
  H     15.02756902      9.48409271     -9.52062080
  H     12.08642179      8.55807903    -12.80305368
  O     13.10269079      5.53695105    -15.81997028
  H     14.91389901      8.11559475     -8.82134669
  H     19.20706842      8.68228157    -13.59477637
  O     18.92621994      5.95144007    -14.97801615
  H     13.40282906      7.13287243    -10.72942506
  H     19.00184064      9.15973173    -15.06305913
  O     15.59625841      8.39119860    -14.80519410
  H     13.62379413      8.50597194    -11.39667855
  H     16.24718057      6.02470309    -13.02546815
  O     12.70870486     11.72999777    -12.75500876
  H     16.15002966      9.56915102    -13.58846694
  H     17.72371207      5.83680260    -13.49008986
  O     16.74613537      5.77179758     -9.95155516
  H     17.19878365      9.73657083    -12.47877843
  H     17.10741809      8.55986453     -9.00200566
  O     11.75880410      9.12616595    -13.50994313
  H     15.57395833      6.74967196    -17.55810056
  H     18.52012366      8.45239529     -8.38018518
  O     19.50058577      8.55161274    -14.50713405
  H     14.28232252      7.45585447    -18.03145690
  H     12.81760479      8.87132966    -17.40927956
  O     17.16751972      6.01811017    -12.72415268
  H     15.08235474      6.06930343     -9.49400219
  H     12.77124144      9.36906853    -18.87407459
  O     18.01355352      8.23752339     -9.15851777
  H     13.86862564      5.72218969     -8.59953083
  H     13.72417387     10.76241328    -11.50518677
  O     13.36888238      9.16257676    -18.16100832
  H     17.62181017      8.07872441    -16.91278993
  H     15.14178349     10.17842356    -11.69373755
  O     14.36408388     10.15372828    -11.11716423
  H     17.80489428      6.66674714    -16.27980382
  H     14.64825018     10.16039843    -17.25305110
  O     15.28390160     10.43919067    -16.58271867
  H     12.66138804      4.75270232    -16.13524315
  H     15.24317368      9.75042665    -15.89915389
          69
 Energy    -248.28210447659154     
  O     -3.40350933      3.88364046      2.32033224
  H     -2.90306062      3.84346525      3.14912065
  H      3.31865196      1.43008457     -2.35774987
  O      2.32005179     -2.57960312      3.69187800
  H     -3.71329928      4.78304678      2.24181728
  H      0.53329320      1.78203668      3.29561274
  O     -1.65364856      2.18832238      0.99606595
  H      2.16404734     -2.95795284      2.80719371
  H     -0.34855933      0.49229965      3.43969093
  O      0.10355811      3.86972099     -0.43625713
  H      2.59850349     -3.29700193      4.25390613
  H      0.71374656     -0.07013471      0.38429120
  O      3.01728673     -1.99224987     -0.85016553
  H     -1.17464404      1.90645520      1.78935605
  H      2.09429043     -0.69806542      0.03742901
  O      2.32716294     -1.30452616     -3.49669960
  H     -2.37972268      2.74597385      1.30500875
  H     -1.40074673      0.61647904      0.12374691
  O      3.32722194      3.52847827      0.94382845
  H     -0.54785637      3.34927631      0.05275074
  H     -0.73902626     -0.05845545     -1.12679304
  O      1.72751119     -3.45663694      1.19913511
  H      0.44805954      4.53607784      0.16985505
  H      1.33366947      2.81539452     -1.03548072
  O      0.74162005      4.80416497      3.82855774
  H      2.73091457     -1.90972496     -1.76917564
  H      1.93429323      1.43773340     -0.58604955
  O     -1.00273021     -2.60531255      1.05785096
  H      3.89109922     -1.58172315     -0.79496866
  H      3.00860395     -0.91443222      3.24302873
  O      5.06583099      1.25137503      1.24540272
  H      2.48532370     -1.64232404     -4.37392024
  H      2.58976848     -0.00904943      2.06001638
  O      3.88302467      0.81445635     -2.84536412
  H      2.91217729     -0.53300656     -3.37934476
  H      6.31822525     -0.72895949     -0.84331003
  O     -0.37489178      1.45533365      3.34263998
  H      2.84587082      4.36029924      1.03922310
  H      5.32290133      0.16434205     -0.06906221
  O      1.66509828      0.02698355      0.51398856
  H      2.97642437      3.11135544      0.14606717
  H      2.61805002      1.58947171      3.39333743
  O     -1.04651184     -0.21450973     -0.22101298
  H      0.79601643     -3.24045815      1.06303755
  H      2.58508105      2.84162459      2.50048107
  O      2.03845542      2.17026293     -1.21291751
  H      2.21142418     -3.08229316      0.45190069
  H      0.60929799     -1.69063391      3.68941542
  O      3.16903005     -0.05512756      2.83816579
  H      1.31218633      4.02256011      3.85250536
  H     -0.58234209     -1.75214380      2.72218392
  O      5.40044148     -0.47388755     -0.80069612
  H     -0.12707992      4.50766199      4.12050617
  H      1.56268768      6.59742046      1.31407366
  O      2.22250134      2.46841286      3.31560972
  H     -1.09725838     -1.78057912      0.55053275
  H      1.17037061      5.43060697      2.25042505
  O     -0.23038724     -1.26614829      3.47758612
  H     -1.78998250     -3.11857577      0.89473324
  H     -1.94896296      3.28925991      5.46976166
  O      1.47542777      5.64868520      1.35242153
  H      4.54395703      0.76787118      1.90125600
  H     -1.29215425      2.69327837      4.20357686
  O     -1.72793042      3.48654778      4.56281177
  H      4.66225155      2.12391458      1.17397281
  H      0.78820049     -0.29414967     -2.98864561
  O      0.17737918      0.34504165     -2.60175849
  H      4.50838001      0.45773885     -2.20174473
  H      0.72437215      1.09481756     -2.34280510
          69
 Energy    -248.28197767271928     
  O     13.11918496      7.94988960     -9.88397745
  H     12.41225940      8.02590121     -9.25014423
  H     14.33930705      7.61456455    -17.13429182
  O     16.85543327      5.35446567    -13.38405398
  H     13.72363144      8.70052525     -9.72650456
  H     18.50649339      6.74688639    -16.14485543
  O     14.24798865     11.68950520    -11.84151428
  H     17.67114272      5.25313229    -12.87947265
  H     19.70863218      7.48430491    -16.78434801
  O     16.60308023     12.07886634    -13.43417681
  H     16.60527895      6.28811559    -13.29305535
  H     15.49578353     11.52797220    -14.90045493
  O     11.44063257      8.42186871    -15.53291781
  H     15.04003229     11.90861837    -12.34721985
  H     15.58230165     10.24246727    -15.71936243
  O     17.42700899      6.84287002     -9.98588951
  H     13.57846028     11.45318717    -12.49330831
  H     15.23837000      8.12642971    -12.96126747
  O     13.05322628      6.36353002    -14.51228236
  H     17.16959671     12.84593379    -13.40048384
  H     16.23508874      8.31083798    -14.16272209
  O     12.72170985     10.51083317    -13.99014075
  H     17.11241472     11.34082756    -13.05982151
  H     14.23256950      6.44559452    -10.18608127
  O     13.48085484      9.22585576    -17.37996202
  H     10.53543341      8.17150643    -15.70320631
  H     14.57083813      5.33312963    -11.20433908
  O     17.25600799      5.51967316    -16.16319898
  H     11.89561007      7.62080822    -15.22758652
  H     19.44417043      6.46320302    -12.38810061
  O     16.59150154      8.79725807    -15.86463726
  H     18.04414661      6.39096452    -10.57053433
  H     20.02042020      5.20190469    -11.70025621
  O     14.78837935      6.87293885    -16.70114316
  H     16.56164291      6.42922284    -10.11789503
  H     14.32475086      3.42484180    -12.87842987
  O     19.08081211      7.53051547    -16.06804422
  H     13.19151009      7.03908960    -13.82793675
  H     15.26099735      4.62755244    -13.12966600
  O     14.99335472     10.98700110    -15.52194796
  H     13.34730231      5.54242141    -14.10087695
  H     17.26166554      9.20386728    -12.57595945
  O     16.15269098      8.00437904    -13.24898896
  H     13.48410971     10.69706441    -14.56044149
  H     17.88259901      9.88009429    -11.33490894
  O     14.89112461      5.77699537    -10.41345737
  H     12.13154260      9.94471919    -14.50076446
  H     19.54327509      7.84232026    -14.24756030
  O     19.20510026      5.64954074    -11.90808622
  H     13.90727828      9.97967636    -16.95796902
  H     19.21864690      8.69610902    -12.99329266
  O     14.33513879      4.37469197    -12.96982794
  H     12.69201971      9.04207815    -16.85364825
  H     18.07530421      9.64168171     -8.76148661
  O     17.87875949      9.90095223    -12.30097535
  H     16.40242051      5.82000184    -16.49973438
  H     17.53068661      8.51857303     -9.67800814
  O     19.71018892      7.92454539    -13.30043616
  H     17.12299742      5.33431987    -15.22298664
  H     14.60140186     10.65852357    -10.39131691
  O     17.58594058      9.48656665     -9.56443384
  H     16.01664856      8.10248091    -16.21929922
  H     15.73024884      9.91017398     -9.62233366
  O     14.77558098     10.02522604     -9.67939005
  H     17.50291616      8.51235567    -15.99786300
  H     13.26999294      8.18218272    -11.67603669
  O     13.49199310      8.24738648    -12.61249852
  H     14.22267854      6.61666110    -15.96065652
  H     13.21791903      9.11180384    -12.94579730
          69
 Energy    -248.28194414236421     
  O     -7.95603057     -2.40373748      6.26655806
  H     -8.60256722     -1.69738861      6.37650323
  H     -4.41148419      0.44190334      1.88224387
  O     -9.14388891     -2.68777923      1.93024346
  H     -7.09685855     -2.04309192      6.51705544
  H     -6.81177199     -1.00923665      3.41125061
  O     -8.00985344     -4.10910939      4.15710664
  H     -9.61699392     -1.97978291      2.38856096
  H     -8.24753852     -0.44015819      3.62835085
  O     -5.58593940      0.28975041      0.44703021
  H     -8.86719551     -3.29107931      2.63073186
  H     -4.78271382     -1.61488437      7.58381558
  O     -6.45536681      1.02966511      5.91059904
  H     -8.03987583     -3.52435629      4.93550746
  H     -4.82460026     -1.37486405      6.05505573
  O     -5.13632278      4.95993476      0.93524418
  H     -8.12852506     -4.99895691      4.47767633
  H     -0.96344404      2.45603121      1.36822270
  O     -9.98567768     -0.33462226      6.42637433
  H     -5.97421384     -0.57946892      0.30309820
  H     -2.22348584      3.12085693      1.97586331
  O     -4.04680893     -1.42280823      4.52445183
  H     -6.31608044      0.85363768      0.75102365
  H     -9.15610453      3.20665279      5.10753272
  O     -4.20349885      2.67968089     -0.24535195
  H     -6.75787880      0.63191161      5.07734090
  H     -8.49724383      3.90433265      3.89406908
  O    -10.05763662     -0.64387123      3.58835905
  H     -6.02572400      0.31893785      6.40201803
  H    -10.14101462      2.50095550      3.08946508
  O     -6.94975588     -2.23998456      0.36968154
  H     -4.86760635      4.15478271      0.45806602
  H     -9.51325195      1.77682895      1.89939330
  O     -3.80083367      0.63091989      2.60788450
  H     -5.22034796      5.64941573      0.28200866
  H     -6.57979956     -3.26428586      3.35372369
  O     -7.30740773     -0.21032528      3.62308448
  H     -9.63329944      0.56007435      6.55198550
  H     -6.14013527     -2.60592076      2.01639452
  O     -5.34909455     -1.32050235      6.87614555
  H    -10.74717887     -0.40988570      6.99769824
  H     -7.88788148      1.82415406      6.49434346
  O     -1.90833917      2.36371630      1.44976537
  H     -4.60099634     -1.99895982      3.97795211
  H     -8.64894554      2.76421853      7.46242303
  O     -9.34912523      3.66218267      4.28185646
  H     -3.81946508     -0.68430786      3.94585261
  H     -3.74539681      4.72689878      2.25844759
  O    -10.31015235      1.79980556      2.44306175
  H     -3.34534777      2.54040862      0.17429192
  H     -3.61828253      3.87538958      3.53499849
  O     -5.93673220     -2.66068766      2.95839265
  H     -4.66701042      1.83499411     -0.18307301
  H     -5.28493959      2.15663778      5.00693334
  O     -8.76987916      2.15892886      6.73467003
  H    -10.27532720      0.21355404      3.18640571
  H     -4.48968556      1.91425680      3.70548885
  O     -3.10056999      4.35179156      2.87171701
  H    -10.19772249     -0.56938829      4.53781392
  H     -7.48214312      1.05226105      2.33865850
  O     -4.80813605      2.60880555      4.30113614
  H     -7.02150207     -2.77671275     -0.41567562
  H     -7.35973254      2.56088635      2.02005767
  O     -7.57575108      1.70494180      1.62772465
  H     -7.79293437     -2.33902762      0.84783129
  H     -6.13831606      3.56718076      3.50211999
  O     -6.82004005      4.02558045      2.98975247
  H     -3.04910900      1.10044597      2.22480343
  H     -6.35376538      4.48652677      2.28081947
          69
 Energy    -248.28194356774236     
  O     17.43857156     11.08710470    -14.58988788
  H     16.62825554     11.60939793    -14.59201148
  H     15.74298963     13.08661097    -11.42502608
  O     15.07826620      6.70362086    -11.38576589
  H     17.67359014     10.95003850    -13.66198718
  H     15.24166123      8.49417366    -11.70783315
  O     11.74554098      8.56851041    -13.21599120
  H     14.12426946      6.58349751    -11.29823190
  H     14.72661988      9.93235080    -11.34970251
  O     13.69119809     10.90207001    -10.23061967
  H     15.31172364      6.35632230    -12.25638904
  H     17.65051109      9.57982097    -15.38991314
  O     18.88081810      7.97018894    -11.15129667
  H     12.46466375      9.07465954    -13.61719706
  H     18.42286305      8.76846603    -16.45788210
  O     12.92977047      6.87193496    -17.26346089
  H     11.48115815      7.90201698    -13.86927364
  H     12.62829327      5.10283975    -12.65959223
  O     15.40424725      5.75884141    -13.97630249
  H     13.97691444     10.39681989     -9.45725789
  H     12.59276929      3.66606656    -13.22627762
  O     13.96349948      9.87527513    -14.28876847
  H     12.78028822     10.64755409    -10.42751383
  H     17.20364050      6.37552638    -13.65858374
  O     14.56138624      9.11399151     -8.25025816
  H     19.73337157      7.57906941    -10.97962032
  H     17.97643031      7.55330191    -14.27054401
  O     16.62153446      7.69880004     -9.34070344
  H     18.55194137      7.56362868    -11.97325647
  H     10.28060471     10.32117771    -10.93764434
  O     12.11525910      7.84108209     -9.15118129
  H     12.95459264      7.16198678    -18.17166419
  H     11.27475857      9.46337352    -11.75198263
  O     14.86093653     12.95577118    -11.80174403
  H     13.74162645      7.20811423    -16.85212867
  H     12.17712596      6.75793936    -10.57862972
  O     15.27422517      9.42454939    -11.96386522
  H     15.23308880      6.44248156    -14.63951335
  H     12.12701994      7.14900933    -12.08069356
  O     17.75571837      8.69349026    -15.78103746
  H     14.59781195      5.23358966    -13.90480246
  H     11.81353290      5.75081799    -14.57253995
  O     12.86958104      4.55681765    -13.42719616
  H     14.48278033      9.67791555    -13.49206280
  H     11.82415764      6.63792960    -15.82997729
  O     17.95886888      6.95697429    -13.51172415
  H     14.15453032     10.79710867    -14.49731178
  H     17.68424624     12.10532989    -11.14331153
  O     11.14104192      9.91114743    -10.89931659
  H     15.33564119      8.64259017     -8.60446531
  H     18.27273197     13.49875288    -10.87138255
  O     12.32175311      6.42013754    -11.47448739
  H     14.73417889      9.25798161     -7.32317486
  H     14.64203724      8.58128667    -15.33872120
  O     11.39321095      6.52069887    -14.97116665
  H     16.09900102      7.17549360     -9.96717383
  H     16.00323310      8.12023790    -15.92360698
  O     17.46286442     12.99662078    -10.82867768
  H     17.45017798      7.86868275     -9.80064364
  H     14.71467068     13.30218283    -14.91359199
  O     15.07966316      7.86118732    -15.81635189
  H     12.93116019      8.19470624     -8.77734440
  H     14.88329091     12.69168262    -13.50280321
  O     14.93055831     12.49418704    -14.45664017
  H     11.68890936      8.57797917     -9.60744166
  H     16.90782285     10.13233352    -11.90728163
  O     17.82118668     10.45857557    -11.87924272
  H     14.39774446     12.36258666    -11.19838704
  H     18.35303842      9.70596495    -11.59686472
          69
 Energy    -248.28186858155181     
  O     12.45145547     13.83604006    -12.20789176
  H     12.66002848     13.34265133    -11.39665980
  H     17.76882603     12.99857031    -17.32187549
  O     20.37340928      7.15526307    -12.77941680
  H     11.80591432     14.49174842    -11.96006153
  H     12.35529119      9.36639893    -12.99188644
  O     18.12247796     10.93677817    -12.64421476
  H     21.09135933      6.58517148    -12.51579517
  H     13.28671058      8.73290020    -14.02975414
  O     13.10224409      9.71217180    -11.18306643
  H     20.71267958      7.72293151    -13.49262655
  H     14.93586172     11.49177024    -13.18394440
  O     16.25816354      6.97977727    -11.88693181
  H     17.16393544     10.85217284    -12.74755984
  H     15.23603198      9.94458134    -13.18300819
  O     14.57444219      7.76056986     -9.73581106
  H     18.26658806     11.81081728    -12.26023604
  H     12.26327843     11.11425980    -16.47738471
  O     17.95870944      6.34957235    -14.13996512
  H     13.83503947     10.09702416    -11.68198747
  H     12.71638880     10.39169534    -15.18822107
  O     14.17055161     12.83667136    -14.06030795
  H     13.48713430      8.99087900    -10.66891919
  H     17.39083521      9.14897727     -9.77390581
  O     17.15751979      8.44330548    -15.76849923
  H     17.02455667      7.52098566    -11.64529332
  H     16.49306784     10.36372750     -9.42886614
  O     18.47834935      8.57590946    -11.23730461
  H     15.62946382      7.06588121    -11.16035209
  H     21.66072938      8.66886930    -15.64822038
  O     15.69344290     10.68735588    -16.78570988
  H     14.30594864      7.28961878     -8.95130152
  H     20.46988176      9.41584783    -15.02628282
  O     17.64026393     12.53520656    -16.49843862
  H     15.29277100      8.36432264     -9.47033065
  H     15.82581182     13.61559066    -14.11387386
  O     12.44806994      9.20990227    -13.93829650
  H     17.32829195      6.31301785    -13.41042274
  H     17.13663566     13.46426153    -14.90588684
  O     15.33315494     10.76627507    -12.68021664
  H     18.81467365      6.51686020    -13.72769625
  H     18.48675348     14.31119283    -11.47803386
  O     12.98979212     11.03663343    -15.86450748
  H     13.52271868     13.23676939    -13.45945631
  H     17.51696063     13.73881663    -12.54126356
  O     16.64242306      9.43010929     -9.23214644
  H     13.69509293     12.34554750    -14.74083010
  H     12.96889122     11.39742063    -10.29195432
  O     21.16132012      8.76039418    -14.84053632
  H     17.47051430      7.63190682    -15.33993657
  H     14.13198199     12.33342044     -9.91461861
  O     16.76740781     13.83709974    -14.09725945
  H     17.83958010      9.10931325    -15.61300868
  H     18.78326144     10.65728069    -14.27510076
  O     17.94170686     13.55670514    -11.68203985
  H     19.19491021      8.07738744    -11.64863434
  H     18.70439470     11.22615221    -15.71197549
  O     13.17695311     12.31037107    -10.05337729
  H     18.42692282      9.41848348    -11.71103488
  H     15.73248495     11.54507753    -11.04520294
  O     19.04761329     10.48938367    -15.19217511
  H     14.77285397     10.71219274    -16.50102486
  H     16.65906293     12.65707772    -10.54105585
  O     16.01015695     12.00954821    -10.24197359
  H     16.04268823      9.81199476    -16.57830235
  H     15.75279715      8.37149714    -14.65189664
  O     15.08208087      8.36126550    -13.95664201
  H     16.89481150     11.92175091    -16.63560085
  H     15.42195764      7.80518956    -13.24152220
          69
 Energy    -248.28152781304146     
  O     -0.99000977      4.88552259      1.08772236
  H     -0.50051328      5.67783691      0.88250772
  H     -3.55733036      1.30910766      0.10629911
  O     -0.96339810      0.19696356      3.15311358
  H     -0.39098149      4.13569720      0.92164855
  H     -6.77957705      3.35249224      1.20095384
  O     -3.89633756     -1.97455430     -0.88282589
  H     -1.75545750      0.64262310      3.48127192
  H     -5.48268572      3.55885404      0.36522275
  O     -1.39802793     -2.34137547      0.01825259
  H     -0.95630560      0.29754099      2.18844083
  H      0.24437065      1.90871494      0.56852475
  O     -4.52964329      1.00412470      1.53454694
  H     -4.50110203     -1.92711998     -0.12876752
  H      0.98184636      2.53542470      1.76146026
  O     -7.39037766      3.80941019      2.90640913
  H     -4.18385005     -1.29420666     -1.50196522
  H     -4.30705326      4.19458490      2.29628871
  O     -8.11972241     -0.66748597      1.17783309
  H     -2.29485922     -2.23921758     -0.35112505
  H     -4.27384641      3.45957733      3.64562152
  O     -3.21896500      1.75226761      3.84836765
  H     -0.97348470     -3.03744913     -0.47550709
  H     -3.40835065      3.29019776     -0.00521941
  O     -4.79732772      0.21872916     -2.46794037
  H     -5.25533722      1.59667414      1.30159827
  H     -2.76616044      4.50447947      0.66933628
  O     -5.50878115     -1.60956341      1.35138856
  H     -4.86769407      0.09976367      1.51183676
  H     -5.09598353     -0.76643537      4.52274946
  O     -4.54816479     -2.48000552      3.82165754
  H     -6.45460214      4.00195264      3.09955423
  H     -4.61246452      0.69187359      4.61848044
  O     -3.09421904      1.59863341     -0.69760409
  H     -7.90094170      4.53088359      3.26285495
  H     -0.42294208      3.23006429      3.75229677
  O     -6.27848702      3.01819163      0.44585245
  H     -8.99842606     -1.02274372      1.27554491
  H     -1.23109398      4.18509909      2.85369433
  O      0.66016279      2.72681499      0.87183215
  H     -7.97609889     -0.05760348      1.92631289
  H      0.42767606      1.27147769      3.54009104
  O     -4.72976472      4.15732175      3.16456231
  H     -2.55241947      2.45467515      3.76344509
  H      1.72803237      1.72857730      4.23986846
  O     -3.62041505      4.08516722      0.50483039
  H     -3.62084776      1.56647298      2.98350151
  H     -6.83696084      0.69796226      3.79873269
  O     -5.38634058      0.12762517      4.73904497
  H     -5.00173932      0.25197809     -3.39829876
  H     -7.57651312      1.93358542      3.21096302
  O     -1.28537625      3.65226504      3.65579530
  H     -5.62898819      0.39776958     -1.99205368
  H     -1.83442160     -2.49568621      1.87749589
  O      1.05957998      2.00646176      3.61942598
  H     -6.45659038     -1.42602175      1.31460456
  H     -1.58182307     -1.57000548      3.07477092
  O     -7.56235748      0.97090662      3.21777641
  H     -5.29838516     -1.98875248      2.21436962
  H     -0.92114537     -0.54907672      0.17819345
  O     -2.03720738     -2.38079425      2.81340637
  H     -3.63170609     -2.48105875      3.49116360
  H     -1.58075429      0.83031501     -0.08749249
  O     -0.84599111      0.39462401      0.36791900
  H     -4.64862893     -3.26550545      4.35275760
  H     -7.46290536      0.25424819     -0.37554009
  O     -7.01538978      0.79355008     -1.03707734
  H     -3.58168834      1.21047635     -1.43381465
  H     -6.84471003      1.64594347     -0.61098662
          69
 Energy    -248.28139539765854     
  O     19.48962547     11.02128877     -8.33427762
  H     19.69232182     11.77318763     -7.78369383
  H     16.61979727      9.78904046     -9.29230060
  O     17.93510196      5.36770584     -9.72099578
  H     20.25961523     10.87774493     -8.91207258
  H     22.40851623     10.51638585    -10.36005054
  O     17.32834189      4.85132659    -13.18335961
  H     17.14461389      4.96880769    -10.10509341
  H     21.41077500      9.37651151    -10.08704919
  O     16.99068272      7.58123735    -13.58729920
  H     18.01953061      6.23135850    -10.15324488
  H     15.45612802      9.86671677    -12.82493258
  O     20.72691070      7.63294472    -13.19834290
  H     16.69271238      4.63464319    -12.49150041
  H     14.07654673      9.61150096    -13.48367458
  O     15.53282167      4.70746769    -10.95914160
  H     17.14268805      5.76730277    -13.43550900
  H     20.32608674      4.19821238    -13.87923980
  O     18.96493037      9.50210226    -14.10068361
  H     17.63297736      8.21620583    -13.93094742
  H     19.06633975      4.80945513    -13.22757754
  O     14.96371729      5.47752507     -6.71184431
  H     16.15283769      8.05130525    -13.49465578
  H     13.09887906      6.66748126     -9.94691210
  O     20.78168788      7.70809142    -10.28792114
  H     20.94091009      7.71207400    -12.26292793
  H     12.85936966      5.38788286     -9.13014389
  O     18.12902703      7.84547506    -10.97405336
  H     20.50982592      6.70006861    -13.32973058
  H     14.78962788      8.43464120     -7.97089095
  O     19.66869442      8.24641674     -7.57531232
  H     15.01000101      4.28604087    -10.26574959
  H     16.24372844      7.91029548     -8.09905221
  O     17.25915555     10.24872811     -9.85581433
  H     15.22030118      5.62312352    -11.00716078
  H     14.57550909      8.00070432    -11.55552052
  O     21.57062595     10.32402721     -9.94753671
  H     19.31735301      9.89934896    -14.89309743
  H     15.00242267      7.77179563    -10.07565719
  O     14.76544453      9.19543614    -12.97291203
  H     19.64115779      8.87894453    -13.78102559
  H     18.18844957      7.23981685     -7.27261627
  O     20.03674348      4.87642608    -13.27440985
  H     14.37740842      6.24210902     -6.66966146
  H     17.58225228      6.10765010     -8.12759921
  O     12.51879883      6.27916124     -9.27710143
  H     15.85828524      5.83644498     -6.78940608
  H     12.52146074      8.13102721     -6.63652609
  O     15.60261438      8.52732496     -8.48240117
  H     20.92577848      6.74972379    -10.26750217
  H     12.87990654      7.26673689     -7.87020628
  O     14.59468909      7.34996045    -10.84453942
  H     19.85552390      7.83141108    -10.55237853
  H     17.66497044     10.49984762    -12.99560799
  O     17.39274481      6.70205579     -7.38635339
  H     17.80295712      8.67614308    -10.60474019
  H     17.04108729     10.76930395    -11.59858693
  O     13.25562595      7.77260906     -7.12713502
  H     17.73890509      7.73425407    -11.84855615
  H     19.73775571      4.93785383    -10.10592891
  O     16.87663448     10.83197600    -12.55066447
  H     19.58891224      9.20202107     -7.67618760
  H     20.52298499      4.84994941    -11.42157516
  O     20.63003975      5.00356310    -10.47430836
  H     20.16676285      7.95002668     -8.34416594
  H     13.76410989      3.04379906     -8.36728955
  O     14.01745631      3.89414780     -8.71621834
  H     17.97301931     10.57761452     -9.29534462
  H     14.39911292      4.39753368     -7.97468821
          69
 Energy    -248.28120018966723     
  O     10.19664342     11.44900119    -12.26025891
  H     10.19232551     10.51757813    -12.01204118
  H     13.46052002     11.99171185    -12.74017710
  O     15.25687241     10.06187681    -18.23893056
  H     10.43794502     11.48706326    -13.19468970
  H     16.87093316     11.04287770    -11.68282291
  O     12.82972636      8.42517030    -12.53948313
  H     15.59891966      9.67140674    -19.03809867
  H     16.34261418      9.56667503    -11.85561632
  O     15.52092029      9.78992866    -15.44044987
  H     14.29782454      9.89098504    -18.22893957
  H     15.73197153      8.76393572    -13.90143291
  O     12.54732198     11.61187603     -9.04148210
  H     13.15416568      9.25972235    -12.16532819
  H     14.78702646      8.14391666    -12.85190311
  O     14.65512962     12.70853877    -17.28592859
  H     11.93914373      8.32353646    -12.18531799
  H     13.19726285     14.06342997    -12.31793617
  O     12.78533637      9.22540115    -15.18063680
  H     15.65837200     10.70725957    -15.16270691
  H     12.32513810     14.31613979    -11.08896707
  O     13.74973055     10.79133566    -11.44230160
  H     15.58574649      9.77865804    -16.40290947
  H     16.70961523     13.18921969    -11.71706566
  O     11.30283207      9.15987036     -8.86123200
  H     11.96334169     12.28819356     -9.41293467
  H     18.15777072     13.16598795    -12.26265406
  O     15.61650062     13.85953289    -10.57293149
  H     13.30740941     12.04431231     -8.63262294
  H     11.32059500     11.94857868    -15.74820004
  O     10.27615915      8.70824154    -11.35104849
  H     15.11600602     12.77125639    -16.43932063
  H     11.72354611     10.67384412    -14.97466919
  O     13.34629949     12.62895016    -13.46159965
  H     14.97615545     11.89828853    -17.70076027
  H     15.23016677     13.06529278     -7.24367771
  O     16.49804488     10.28239822    -11.21980014
  H     13.72011626      9.45426250    -15.28137987
  H     15.52833223     11.83350635     -8.13422440
  O     15.70758313      8.38076168    -13.01333153
  H     12.70784665      8.81952224    -14.30729943
  H     16.39936921     12.60767617    -13.98690181
  O     13.13345011     14.61124765    -11.52218481
  H     14.69789904     10.67003950    -11.30366403
  H     14.88572162     12.58254692    -14.28821206
  O     17.30946201     12.73772629    -12.34046426
  H     13.35509745     11.06035649    -10.60443083
  H     11.60089627     13.22342968    -17.98622418
  O     11.24082663     11.51040987    -14.89181848
  H     11.79757298      8.61089124     -8.25755475
  H     12.89929221     12.67600576    -17.35125003
  O     14.96000505     12.61874245     -8.04200610
  H     11.73517203     10.02884657     -8.84614006
  H     16.55029896     10.32271267     -9.45804636
  O     15.76004808     12.45808895    -14.69189146
  H     14.77203878     14.21548200    -10.88762916
  H     16.98518375      9.69800222     -8.12145971
  O     11.93758880     12.53625597    -17.41755604
  H     15.44115562     13.49421872     -9.70045650
  H     10.58125150     12.67334052    -11.09139226
  O     16.49755463     10.42793643     -8.49310809
  H      9.47908209      8.18770406    -11.29130594
  H     10.01582938     13.76640493    -10.15591349
  O     10.81954779     13.31283644    -10.39532670
  H     10.59544546      8.83826370    -10.44113347
  H     12.21745648     10.66711797    -17.87848878
  O     12.56662619      9.76890953    -17.93435541
  H     12.58739157     12.33468296    -13.97872152
  H     12.50225918      9.41025502    -17.03819129
          69
 Energy    -248.28115748665681     
  O     15.16636060     10.73260290     -9.12699742
  H     14.53262463     10.12523817     -9.53331329
  H     15.28749013      4.97574196    -14.88645441
  O     13.13473773      5.56028359    -12.36918881
  H     16.03514080     10.33846399     -9.26428799
  H     18.31840647      6.70948505    -15.65339548
  O     17.37061859     10.41350827    -12.42422153
  H     13.24704340      5.90141534    -11.47302005
  H     17.67853860      7.86263798    -14.84445209
  O     17.34850927      9.63915458    -15.06632267
  H     13.05993583      6.31528405    -12.96403786
  H     16.04953180      9.15574598    -12.48832661
  O     15.85658262     12.66730647    -12.59653305
  H     17.57622674     10.19706711    -13.34372154
  H     15.90402260      7.61226136    -12.33396427
  O     13.69715439      6.43109357     -9.70137753
  H     16.89727160     11.26058119    -12.43618954
  H     14.15178167      8.88752759    -11.28798085
  O     14.59856058      9.83519719    -15.74730223
  H     16.40264709      9.74078755    -15.23552003
  H     13.32244521      8.21585850    -10.18718839
  O     13.61274686     12.00815906    -14.31036291
  H     17.79182949      9.69188028    -15.92539652
  H     15.01147192      3.09114479    -13.09339607
  O     16.15094145      6.38282540    -18.13039121
  H     15.17261209     12.52192941    -13.26034830
  H     14.36960745      4.49196784    -12.92130063
  O     16.93296606      6.03196468    -12.35581428
  H     15.39022254     12.90865017    -11.78574127
  H     16.73225405      6.44068836    -10.55237022
  O     13.65943644      7.59415369    -14.40224913
  H     13.44764495      5.97624420     -8.90143980
  H     16.79742755      7.71825293     -9.69706145
  O     15.39715287      5.69772476    -15.51699486
  H     14.66119467      6.56422196     -9.65951050
  H     19.34023158      5.99214076    -17.99013644
  O     17.84480962      6.90903957    -14.83626500
  H     14.25309644     10.62109950    -15.30419464
  H     17.86803669      6.43014687    -17.79201759
  O     15.41194553      8.43114268    -12.47673613
  H     14.15164717      9.07098316    -15.35712157
  H     17.62270050      9.79998319    -10.76692410
  O     13.46525011      9.06193272    -10.62577786
  H     13.19593864     11.75097632    -13.46794897
  H     18.49063567      9.62297837     -9.50302258
  O     15.14953776      4.01813679    -13.26501224
  H     13.08337726     12.71669792    -14.66831090
  H     15.09803678      9.43559062    -17.42272863
  O     16.39688823      6.84171464     -9.73855300
  H     15.73538596      6.04295480    -17.32601089
  H     14.93036216      9.59577773    -18.94925409
  O     18.77985533      6.56619081    -17.47555094
  H     15.82370254      7.28384945    -18.24553438
  H     14.21575662     13.73661185     -9.57563961
  O     17.62002216      9.45738854     -9.85722209
  H     16.38718989      5.27537501    -12.60621400
  H     14.67344524     12.26985561     -9.75900269
  O     15.44953491      9.15225783    -18.28273510
  H     17.42635402      6.28932220    -13.14678026
  H     18.58123920      8.48900192    -17.67069913
  O     14.33968486     13.05515908    -10.23002177
  H     14.25720460      7.93713208    -13.71778621
  H     17.36343907      9.36816684    -18.00883637
  O     18.25701996      9.39786242    -17.64319051
  H     14.15616852      6.91019065    -14.87417763
  H     12.73884884     10.58311296    -11.44603594
  O     12.62064486     11.44953627    -11.85680037
  H     16.23059517      6.13276070    -15.28314718
  H     13.07295029     12.07481321    -11.27601261
          69
 Energy    -248.28083009226185     
  O     11.57342508      9.92585558    -11.18534457
  H     11.18819787      9.16392093    -11.63536050
  H     16.02872314      5.87217079    -16.73497011
  O     14.03880950      7.09664074    -14.82332492
  H     11.93839564     10.48729832    -11.88089508
  H     17.74590455      6.40690583    -15.24537974
  O     17.51713455     11.50589468    -11.22563107
  H     14.34463151      6.55762966    -15.56143095
  H     17.82155218      7.17648301    -16.59370853
  O     17.77534462      8.83105244    -17.59129603
  H     14.74758305      7.71614470    -14.58638648
  H     14.09282198     11.24231644    -16.24665840
  O     11.91312993      8.78404484    -14.88219953
  H     17.39243202     12.36664325    -10.83421973
  H     15.47313285     11.52242468    -15.61746841
  O     16.33396984      7.49360347     -9.66400008
  H     16.63136452     11.16054321    -11.42942041
  H     16.34618649      9.43299406    -14.56628060
  O     13.48525289      6.38633071    -12.22429920
  H     16.83990896      8.72643386    -17.84549378
  H     15.68875205      9.29662639    -13.16713117
  O     15.10792731     10.37017443    -11.83116363
  H     18.26738219      8.96499093    -18.39727889
  H     19.46051749      8.45692706    -11.57195236
  O     15.15439785      8.39788341    -18.11444303
  H     11.33595330      8.40601494    -14.21014340
  H     20.80953017      8.02339431    -12.19819912
  O     16.07653218      5.39331799    -11.64669464
  H     12.66702095      8.17368065    -14.93641583
  H     10.20041661      6.87096859    -12.30754109
  O     17.14592950     10.67850007    -15.57640255
  H     16.28877958      6.72753098    -10.24706546
  H     11.73620411      6.99480133    -12.37134099
  O     15.10004191      5.75588852    -17.00996480
  H     15.44593477      7.87233427     -9.66830878
  H     18.53817224     11.05339917    -12.76166140
  O     17.60323308      6.32398397    -16.19671502
  H     14.27792472      5.92064901    -11.92988722
  H     19.35642866      9.84879020    -13.25731112
  O     14.54322831     11.78494900    -15.58949073
  H     13.64818635      6.58732480    -13.15857810
  H     18.53325379      7.15965127    -13.06960963
  O     15.95636314      8.79901302    -13.94986878
  H     14.37555675     10.69821084    -12.37233652
  H     17.10801665      7.51175643    -13.56710519
  O     19.89157318      8.17792654    -12.40229670
  H     14.73383932      9.73180515    -11.20953751
  H     17.80115906      8.50677649     -9.96153440
  O     10.90649044      7.46131732    -12.56072299
  H     14.39312527      8.91454229    -17.82499822
  H     18.23178997      9.92064660    -10.43201813
  O     18.96683093     10.68246226    -13.54388070
  H     14.99654532      7.48700063    -17.83765355
  H     12.27321705     10.33912652    -17.75786520
  O     17.71137521      6.77123283    -13.39748270
  H     16.42682532      4.52205626    -11.47659233
  H     12.46675663      9.57565447    -16.43244492
  O     18.56290817      9.03535585    -10.24157511
  H     16.67994026      5.81621344    -12.28050098
  H     13.66794464      7.75230862    -10.94256064
  O     12.93820301      9.95153644    -17.19237300
  H     17.86021636     10.76372441    -14.92490874
  H     12.97357336      9.02662737    -10.41261386
  O     13.76586683      8.47892853    -10.31279234
  H     17.46992538     10.13219393    -16.30291501
  H     12.59020929     10.26228410    -13.91050751
  O     12.98469153     11.02272416    -13.46526645
  H     15.03996441      4.90657975    -17.43750448
  H     13.52183862     11.46037575    -14.14407349
          69
 Energy    -248.28078702144282     
  O     10.99880892      8.88337098    -12.56995460
  H     10.10740250      8.63038798    -12.34606723
  H     18.00318529      9.26964282    -15.05670804
  O     16.61884388      8.11456736    -15.21151699
  H     11.56693553      8.12021829    -12.35987201
  H     12.91964315     13.94687920    -13.21532948
  O     16.00240106     12.27390656    -13.51897715
  H     16.30189942      8.05445481    -16.12103908
  H     13.00743332     12.44636793    -12.85389680
  O     13.32536717      7.05885579    -16.26431640
  H     15.97690709      8.66171572    -14.72985949
  H     15.26097786     10.58664396    -13.86877991
  O     17.44903559      6.88484384     -9.18789481
  H     16.45737106     12.43033183    -14.35634170
  H     14.74227884      9.55442024    -12.85806421
  O     16.23739752      6.15641207    -13.32157516
  H     15.14114271     12.71223306    -13.53742287
  H     13.40526397      6.81262066    -11.51156303
  O     14.74711679      9.71370771    -11.00261031
  H     12.87793584      7.83263469    -15.89352223
  H     12.92809519      6.24097247    -12.85620358
  O     17.49482698     12.22265053    -15.87747285
  H     14.00194105      7.40687080    -16.85632786
  H     13.41122871      4.43086740    -14.56250734
  O     18.55051318      6.74766116    -11.84240162
  H     17.77483666      7.80034056     -9.15014344
  H     13.59907524      5.89537133    -15.02359694
  O     15.33684090     10.91909521    -17.26448351
  H     17.65759072      6.48307723     -8.34857348
  H     16.85877944     11.51532403    -12.09909713
  O     15.44098758      8.27597620    -17.73858773
  H     16.44738166      6.80323953    -14.01178118
  H     17.93941305     10.44841046    -11.79254415
  O     18.63519476      9.97996909    -14.87074133
  H     15.43796353      5.70790165    -13.62446233
  H     19.18052407      8.33050016    -12.14338614
  O     13.34855644     13.13072329    -13.45808758
  H     14.88191221      8.77006210    -10.84444330
  H     20.46335002      9.19011041    -12.27947043
  O     14.89108638      9.69722651    -13.80104554
  H     15.61771747     10.13273369    -11.04452027
  H     19.13627940      9.29735216    -10.10240307
  O     12.64609009      6.77896136    -12.10619522
  H     17.97387630     11.44206260    -15.54413689
  H     17.90611268     10.10236522     -9.75527468
  O     13.74150745      5.27983916    -14.28129288
  H     18.13651432     12.77798647    -16.31183324
  H     12.64513742     11.01464194    -15.77410442
  O     17.21893942     10.95259350    -11.39813903
  H     17.83986037      6.40999740    -12.40387149
  H     13.09974977     12.37098368    -15.21537949
  O     19.51293769      9.24515653    -12.20586728
  H     18.24618410      6.63854610    -10.93353170
  H     15.86386844      6.86644013    -10.18607511
  O     18.48747285      9.41689391     -9.40129100
  H     14.52539646     11.30255051    -16.89965212
  H     15.56301816      6.72664010    -11.70087752
  O     13.04893147     11.85600343    -16.02836426
  H     16.07081848     11.40323439    -16.87300422
  H     11.89136543     10.47384127    -12.01528314
  O     15.17562157      6.98397242    -10.85136613
  H     15.68397526      8.13446386    -18.64897946
  H     13.25506963     10.73419906    -11.35804447
  O     12.50311908     11.17908584    -11.77368141
  H     15.37323775      9.24124302    -17.61324516
  H     13.26416902      9.47477594    -14.58579347
  O     12.38659029      9.33987573    -14.97675465
  H     19.00180735      9.77724644    -14.00558256
  H     11.78159337      9.20737010    -14.23752217
          69
 Energy    -248.28077816848204     
  O     16.51932020     10.69792177    -11.54308982
  H     15.77831346     10.16230756    -11.86310845
  H     13.30597002      9.99718657     -9.23227301
  O     15.25058220      5.76970998     -8.57046106
  H     17.32676891     10.23394146    -11.79846196
  H     13.03457430      9.10065881     -5.50212048
  O     16.32979010     13.17404052    -10.46339355
  H     15.95018119      5.22766172     -8.94885434
  H     13.53902471      9.14670986     -6.96306668
  O     12.59485205      6.38993395     -7.80885423
  H     15.62387168      6.27513003     -7.83131251
  H     16.88552000      4.75957191    -11.07861216
  O     14.67668776      8.89415360    -12.48121417
  H     16.35389586     12.31391614    -10.91887042
  H     17.64920949      3.68481310    -10.26424119
  O     18.70733848      9.02366356    -12.09781317
  H     16.01594861     13.81381241    -11.09684821
  H     16.80461622     12.25505713     -7.02843881
  O     20.38880815     10.70220347    -10.61460232
  H     12.77279690      7.08407856     -7.16256714
  H     17.74984777     12.74467597     -5.90258374
  O     18.21762100      7.19301146    -10.10847175
  H     13.45557631      5.99818830     -8.00972260
  H     17.24788227      7.86617084    -14.79600919
  O     11.49072164      7.08515732    -10.17949740
  H     15.30935574      8.56778661    -13.13201450
  H     17.63608388      8.25369332    -13.35402866
  O     15.32377589     12.38057697     -7.91591979
  H     14.52281190      8.15056360    -11.87723151
  H     16.49875605      9.73520452     -9.91912313
  O     12.44310400      9.71444120    -10.79038280
  H     18.57925511      8.31128654    -11.45088815
  H     16.87349718      9.26586498     -8.46592339
  O     13.88857289     10.01225699     -8.46060121
  H     19.38114128      9.60574957    -11.72333986
  H     18.03357933     12.81462291     -9.69923877
  O     13.44268482      8.57289616     -6.18334240
  H     21.23530159     11.11912155    -10.75322523
  H     18.56886491     12.34889974     -8.33598822
  O     17.26939539      4.55695862    -10.20611242
  H     19.83575014     11.34705913    -10.13773685
  H     16.69811623      7.98003636     -6.47146743
  O     17.69727516     12.15458124     -6.64920087
  H     17.45017905      7.68537080     -9.78038228
  H     15.19697929      7.73916148     -6.18790736
  O     16.94599260      7.83224422    -13.89112635
  H     17.98682369      6.25797173    -10.10458820
  H     14.55992768      6.45602594    -10.10638264
  O     16.34589519      9.05590126     -9.25124360
  H     11.80143365      6.84712147     -9.28672756
  H     13.20091595      6.70464369    -10.81162743
  O     18.80867200     12.43695406     -9.26619966
  H     10.66456949      6.62934707    -10.31397659
  H     20.25690071      9.37704331     -9.18619448
  O     16.02072641      7.29344311     -6.41978348
  H     15.54681458     12.73095857     -8.78740046
  H     19.51959625      8.03848810     -9.03810440
  O     14.15234052      6.65506594    -10.96143835
  H     14.73995614     11.62587422     -8.06606694
  H     17.87049972     10.31511174     -6.73171022
  O     20.00931047      8.70709449     -8.53921441
  H     12.00750469      8.86586810    -10.63255512
  H     18.70800738      9.16597106     -7.38359842
  O     17.86307405      9.37759486     -6.95787093
  H     13.06289900      9.56707092    -11.51390028
  H     16.45312629      6.13625027    -13.03154396
  O     16.10413800      5.40890126    -12.50535373
  H     14.70833343      9.56746882     -8.72302925
  H     15.31368973      5.75928752    -12.06801650
          69
 Energy    -248.28069711834232     
  O     15.52301377      8.40856584    -10.24688751
  H     15.20221457      7.57677914    -10.62687887
  H     15.75158468      9.65068172    -13.73047786
  O     12.67125212     10.34546337    -13.36714891
  H     16.15355566      8.19687043     -9.54834240
  H     18.62107808      7.14281048    -12.99309589
  O     16.79467685      9.17798532    -16.66710419
  H     12.18835843     11.16742120    -13.38283172
  H     17.29965015      7.87115213    -12.67256131
  O     11.71910975      7.64451392    -13.71406152
  H     12.79227986     10.10970829    -12.42954867
  H     15.03319890      6.22659103    -14.56145618
  O     17.89868414      5.61999240    -10.32030976
  H     16.18232292      9.34467982    -15.93486296
  H     14.65537401      7.72573311    -14.37713836
  O     14.35025459      6.19544781    -11.51149227
  H     16.41961148      9.62274411    -17.42395658
  H     18.45502565      7.99032117     -8.82701885
  O     20.54743236      5.81630586    -11.14518332
  H     11.89581395      8.59313616    -13.72400879
  H     17.67549547      7.72912216     -7.51489498
  O     16.03396261      3.88581887    -11.38749049
  H     12.53502456      7.22971056    -14.02917195
  H     19.77131972      6.39109246    -15.90954358
  O     17.50731495      3.01219322    -13.49819769
  H     17.71813271      6.23960317     -9.60457709
  H     21.25125525      6.01738893    -16.16927702
  O     20.41256984      7.69151324    -13.17426679
  H     17.74746335      6.09436649    -11.15335489
  H     12.44604231      8.67312695    -10.75250016
  O     20.14843058      4.22919611    -13.35566435
  H     14.38780678      6.40302715    -12.45653146
  H     13.85171053      9.24672294    -10.50110534
  O     15.12412612      9.51150998    -14.45590177
  H     13.42854255      6.31158021    -11.24892338
  H     19.89923884      8.93583919    -10.36309088
  O     17.69242581      6.99569157    -12.77344969
  H     19.69168657      5.66264360    -10.71956396
  H     20.35957612      7.49052495    -10.06779072
  O     14.34320356      6.82106228    -14.23846138
  H     20.57117883      5.16552753    -11.86508138
  H     20.16591633     10.74432308    -12.16647670
  O     17.58818539      7.73349162     -8.46438931
  H     15.33898122      4.55229260    -11.45130413
  H     19.95625837      9.24312986    -12.47861905
  O     20.61088152      6.14998175    -15.47611669
  H     16.72372258      4.31205316    -10.85907408
  H     16.98722901      5.93343573    -14.03674735
  O     12.96642344      9.48500745    -10.80466106
  H     17.39857834      2.07239946    -13.61724399
  H     16.85703628      4.46033565    -14.47121626
  O     19.96539518      8.27331665     -9.66447501
  H     16.95810262      3.26125751    -12.73293343
  H     17.60656778      6.21566466    -16.03693591
  O     19.63000129      9.98748548    -11.94215652
  H     20.59672416      7.05553181    -12.46611388
  H     17.79041383      7.63613520    -16.61443584
  O     16.62296341      5.35910200    -14.72975435
  H     20.58285326      7.24847068    -14.01554370
  H     11.57230900      7.14868414    -12.03804097
  O     18.22864525      6.78092415    -16.51414666
  H     19.28589631      3.80343135    -13.42639892
  H     10.84366805      6.53985358    -10.81466315
  O     11.65890347      6.95104487    -11.08752378
  H     20.27033261      4.74999412    -14.15827519
  H     17.75256634      9.87690453    -12.11920950
  O     16.84267534      9.63109848    -12.32487662
  H     14.28091460      9.88696687    -14.17298901
  H     16.40474681      9.33206901    -11.51377200
          69
 Energy    -248.28054680979989     
  O     -5.86908431      0.30579837     -0.51489540
  H     -5.40065999      1.15252304     -0.54442039
  H     -1.21648025      3.73470652      5.16833106
  O     -5.32513465      2.30187372     -4.68716127
  H     -6.05502725      0.13608198      0.41747280
  H     -1.19491670      4.45452858      1.18217338
  O     -5.99827108     -0.13925537      2.26834162
  H     -5.67875225      1.51027513     -4.24538552
  H     -1.52198372      4.51419928      2.69012662
  O      0.31209891     -0.90159591      1.08888742
  H     -5.99112390      2.57725950     -5.31028459
  H     -4.54494497      3.35521818      0.10533966
  O     -1.67895327     -0.86508902     -0.80771477
  H     -5.62981239      0.70054560      2.59600568
  H     -3.57553592      2.17248676     -0.07557661
  O     -4.24322334     -1.94806909     -0.72186449
  H     -6.74934121     -0.34225345      2.82006574
  H     -0.36330863      3.65022670     -0.98490703
  O     -2.00422813      0.10264423     -3.38700437
  H      0.84268062     -0.16213860      0.77479552
  H      0.53370327      2.78807399     -0.05127013
  O     -3.21307506      2.63534074     -3.01082781
  H     -0.32133333     -1.06723012      0.37433103
  H     -4.04614556     -2.77994752     -3.86963707
  O      1.62341546      1.27760252     -0.33202420
  H     -2.53184340     -1.30392313     -0.69605737
  H     -4.08706562     -2.07342208     -2.49564278
  O      0.51440480      1.27576374     -2.83102060
  H     -1.66632788     -0.52973950     -1.71316189
  H     -1.91469748      0.36029992      3.47295707
  O     -1.34455120     -1.38996682      3.19630973
  H     -4.81682537     -1.16769518     -0.70948110
  H     -2.17339044      1.39568567      2.36393810
  O     -1.08644206      3.63970081      4.22809612
  H     -4.11973889     -2.19828512      0.20614564
  H     -3.06115545     -1.84678075      2.40886865
  O     -1.82578312      4.80909068      1.81944449
  H     -2.66733738     -0.57157027     -3.57851449
  H     -4.53804607     -1.41578317      2.19668434
  O     -4.33765152      2.61774164     -0.48031300
  H     -2.47175024      0.94471268     -3.29453381
  H     -1.89348089      0.67581364      0.13816461
  O     -0.19848236      3.41858905     -0.06112177
  H     -3.91690658      2.61406401     -3.67599990
  H     -1.43044023      2.15737787      0.36297592
  O     -4.01701483     -1.92174221     -3.45394296
  H     -3.64231684      2.68020656     -2.14506404
  H     -3.53738637      4.66093045      1.64565123
  O     -2.20376729      1.26793028      3.32524235
  H      2.57420675      1.28643209     -0.41301672
  H     -4.91399309      5.36249904      1.71565853
  O     -3.88292804     -2.08696443      1.96652526
  H      1.27051357      1.17673514     -1.23429342
  H     -5.47025934     -0.65308240     -3.48271852
  O     -2.10689772      1.50404471      0.58642648
  H      0.21023891      2.18692890     -2.92987493
  H     -6.19223233      0.14272137     -2.37707194
  O     -4.49828731      4.51899059      1.56071269
  H     -0.21815531      0.73514469     -3.15157153
  H     -3.94997501      1.86680965      3.34359979
  O     -6.10469789      0.05820848     -3.33538264
  H     -0.70221613     -1.22136536      2.48390758
  H     -4.79029897      2.97256980      2.66452681
  O     -4.85670728      2.14199059      3.14913591
  H     -0.94395450     -2.03228295      3.77632629
  H     -1.66248494      3.45804826     -2.91456025
  O     -0.77042680      3.82751826     -2.79373475
  H     -1.43182998      2.76213740      3.99827308
  H     -0.71480652      4.60102642     -3.34859891
          69
 Energy    -248.28053516676346     
  O     12.50726573     12.17786205    -12.66208437
  H     13.10987900     11.91055260    -13.37016868
  H     15.45040084      9.72062841    -17.43525206
  O     13.06664569      6.88226940    -13.99599947
  H     11.67781463     11.71537185    -12.82841330
  H     15.77989054      8.55087573    -13.61794285
  O     16.53407490      8.21283812    -18.02598216
  H     12.55463006      7.64223410    -14.30124420
  H     16.29268569      7.53561332    -14.66547764
  O     11.98300545      9.29575747    -14.84288883
  H     13.99818977      7.16492050    -14.02546074
  H     13.18664750     12.24646160     -9.56085618
  O     13.25975891      7.33613966    -11.22583707
  H     16.85726644      8.20311150    -18.92336905
  H     13.00667673     11.80817853    -11.03461689
  O     16.26898710     10.18047434    -12.99005052
  H     15.75049840      7.63373888    -18.00251452
  H     19.64890672      6.76296650    -10.85903397
  O     14.26518711      6.74745081    -17.83786843
  H     11.29540358      9.62818796    -14.25308675
  H     18.19119311      7.23400773    -10.63724355
  O     15.05336452      5.37889305    -10.28729734
  H     12.76527890      9.85459062    -14.71286038
  H     11.93286859     10.05374742    -10.33067276
  O     17.76227142      7.28041298    -15.69124659
  H     13.75770817      6.61071441    -10.82883772
  H     11.93389697      8.57626446    -10.77823331
  O     13.88929568      4.87955407    -15.70413787
  H     13.12179724      7.11062840    -12.15540746
  H     18.50128710      8.34681534    -14.26111516
  O     16.75274044      4.73839638    -15.21844116
  H     17.17773642      9.86132046    -13.10047356
  H     18.79936294      8.23320889    -12.74982455
  O     14.73449212     10.31733731    -17.18791971
  H     15.97403718      9.99317333    -12.08858080
  H     17.52036636      5.92076356    -12.13700141
  O     15.62000128      7.67288679    -13.98513386
  H     14.13536378      6.06069171    -17.17403878
  H     16.27437795      6.31741560    -12.95959676
  O     13.20886508     11.48745437    -10.13691358
  H     13.52265850      7.35935260    -17.75152983
  H     16.29735909      8.32162729     -9.81801634
  O     18.83297182      6.95348211    -11.31415369
  H     15.61657119      5.33883332    -11.07970934
  H     16.23839600      6.80320664     -9.59544956
  O     11.36567328      9.35052204    -10.67077863
  H     14.99183452      4.49065893     -9.94567737
  H     11.53841567      9.04348546    -18.02362985
  O     18.63866035      8.86752913    -13.45850452
  H     17.45329617      7.62369900    -16.53982981
  H     12.09370958      8.94631106    -16.58478194
  O     16.68366553      5.58038367    -12.48124902
  H     17.55669629      6.33373104    -15.66385559
  H     14.43489003      8.73335046    -10.87435891
  O     16.83690032      7.55860043     -9.56833642
  H     13.50610340      5.51232462    -15.07466468
  H     14.49770756     10.19003978    -10.35139709
  O     12.29973219      8.77023027    -17.51784492
  H     13.31092915      4.12052748    -15.71640864
  H     14.94482221     10.79200745    -14.03472259
  O     15.04416368      9.43677451    -10.60918761
  H     15.81194067      4.71370650    -15.43104633
  H     14.43542430     10.88155931    -15.50278200
  O     14.16755986     10.98355866    -14.57804279
  H     16.79904157      4.78716009    -14.25498896
  H     10.59469665      9.95458147    -12.10717061
  O     10.26634920     10.35890019    -12.93085432
  H     13.92270103      9.86548386    -17.44681807
  H      9.33884997     10.53517869    -12.80059066
          69
 Energy    -248.28040160936587     
  O      0.54069314     -0.18830742      5.43548323
  H      0.43281852     -0.55067034      6.32562767
  H      2.92797190      1.63427271     10.16058764
  O      1.96975313      2.87859862      3.54631954
  H      0.79249006      0.73487336      5.56360668
  H      4.26971532      1.03619447      7.21777342
  O      4.74334061     -4.16637515      6.11969020
  H      1.69121187      2.78858882      4.47215246
  H      4.34990366      2.19576418      6.20488007
  O      4.13673917     -0.41606090      1.01904354
  H      1.73415483      3.76399175      3.27758766
  H      3.94463622     -0.14458704     11.82763910
  O      0.01730134     -4.04883062      4.42398728
  H      4.15647548     -4.23303314      5.35133757
  H      3.21475750     -0.58443917     10.54814329
  O      0.49204180     -0.91307141      8.12526020
  H      5.39507818     -3.49056543      5.90707022
  H      4.94067993      1.40797382      4.11137399
  O      0.44986193     -3.53561624      7.04385267
  H      4.35747375     -0.13074016      0.13688736
  H      3.86190183      2.50454497      3.98330238
  O      0.31644941     -1.55033962      3.03673298
  H      3.29535116      0.01770628      1.25449982
  H     -0.52494688      2.31439087      9.19103935
  O      1.77951734      0.62259837      1.82858445
  H      0.09317319     -3.85780713      5.37637064
  H      0.99691040      2.05571224      9.05172097
  O      2.63038083     -2.74967129      1.73142209
  H     -0.62407079     -4.74878425      4.33479458
  H      2.15400801     -0.96795691      5.15690575
  O      2.98840612     -1.73234959      9.15783326
  H      1.34360448     -1.13126932      8.52923083
  H      2.92132550     -2.28330641      4.81779721
  O      2.61572614      2.30590312      9.53750877
  H      0.27590342     -0.01309276      8.39904108
  H      3.63642935     -4.28355428      7.45893145
  O      3.99150353      1.94980184      7.07081608
  H      0.29543072     -2.68703758      7.47624638
  H      3.08679291     -5.20068551      8.57456279
  O      3.35078962      0.16509962     11.14847438
  H      1.27759582     -3.87380681      7.40727616
  H      4.34115282     -0.70838651      4.07997690
  O      4.68561726      2.28261677      4.43172133
  H      0.26911431     -1.00217496      3.83417708
  H      4.95029054     -0.44451887      2.68065117
  O      0.12397839      1.86154955      8.65996468
  H      0.10471177     -2.43772181      3.35263514
  H      7.49825833     -1.98342839      5.31920956
  O      3.02895410     -1.36952878      5.10940639
  H      1.76245318      1.38247815      2.42323230
  H      6.17642112     -1.41520888      4.76132450
  O      2.96370056     -4.35072904      8.15987958
  H      1.15975770     -0.03073432      2.17407852
  H      2.91144428     -3.67545331      3.21330507
  O      5.15099796     -0.42870279      3.62471364
  H      3.21472109     -2.06093219      1.39568451
  H      1.89283412     -4.19063611      4.25221613
  O      6.55930298     -1.94254117      5.48226736
  H      1.84159277     -2.29412618      2.05407941
  H      2.29411998      2.21579082      6.49706898
  O      2.83049018     -4.00437483      4.12242250
  H      2.96783006     -2.67771166      8.96561567
  H      0.82300584      2.33022201      6.96239019
  O      1.38806446      2.35604117      6.18090520
  H      3.64195193     -1.35336279      8.55021669
  H      3.99976967     -0.99144526      6.52613900
  O      4.64983303     -0.76162993      7.21125373
  H      3.22353860      2.30318252      8.78766715
  H      5.48752677     -1.09298179      6.87168216
          69
 Energy    -248.28038590400294     
  O     13.27532773     10.03828296    -15.86535500
  H     13.85520755      9.46467263    -16.37858359
  H     16.72585415      5.29853245    -14.85528416
  O     16.97794972      6.52341787    -13.45864047
  H     13.77509830     10.84925204    -15.71023673
  H     17.44670735     10.80236585    -16.88984839
  O     18.29770744     10.44324158    -11.93819428
  H     17.80743641      6.73957652    -13.01835525
  H     16.16210082     10.16256602    -17.46142882
  O     18.83287028     10.20854784    -15.78824004
  H     16.78063842      7.31633599    -13.98181046
  H     16.22152487      9.56155650    -14.06780555
  O     14.03454594      5.96489074    -16.52247095
  H     18.21358910     10.38120595    -10.97883304
  H     17.39624987      9.34960430    -15.05010276
  O     15.22602138      9.23046614     -9.34279724
  H     17.41718925     10.66014031    -12.27896770
  H     12.31173988      9.45645102    -14.55448654
  O     14.71862087      6.60990061    -11.92364194
  H     19.20204190     10.85097567    -15.16428059
  H     10.92294695      9.37024264    -13.87414698
  O     15.77477087     10.92678736    -12.95782203
  H     19.38690136      9.41975705    -15.74051368
  H     18.31498569      8.21487559     -9.60620521
  O     18.01962895      6.86960319    -16.99748657
  H     13.42188523      5.43169982    -17.02241428
  H     18.80671064      7.35563811    -10.78544444
  O     15.84634025      6.43504891     -9.36236832
  H     13.62033661      6.12926168    -15.65634807
  H     12.46912931      7.32449433    -13.99367398
  O     20.02519851      7.69997970    -15.36438748
  H     15.31158111      8.27292109     -9.24703025
  H     13.48772932      6.39068618    -13.31097483
  O     16.58653852      4.89604996    -15.72398829
  H     14.66159477      9.37257960    -10.11249704
  H     19.33386858     11.40244730    -13.05056037
  O     16.57553467     11.00987518    -17.25730756
  H     14.98509005      6.42547992    -11.01553150
  H     20.44022700     12.41007644    -13.41432612
  O     16.60170254      8.93121617    -14.69052414
  H     15.52052225      6.51984477    -12.46085636
  H     18.96148368      8.73588623    -12.43826549
  O     11.83467878      9.10891530    -13.77907192
  H     15.03382905     10.45043823    -12.55552899
  H     19.63105384      7.79083040    -13.47041485
  O     18.36446878      7.30606812     -9.92904368
  H     15.45135272     11.46512878    -13.69120382
  H     16.86118086      9.82405727     -9.24081974
  O     12.94668092      6.49409030    -14.10472207
  H     17.60057256      6.07758729    -16.62523561
  H     17.97343408     10.50661710     -8.40872375
  O     19.78929128     11.82724012    -13.79548938
  H     17.29336866      7.41796225    -17.30155247
  H     14.19445867      8.35309498    -11.89141580
  O     19.29081590      7.83513572    -12.56848154
  H     15.87517342      5.76308795     -8.68679044
  H     13.08170289      9.29364369    -12.40472074
  O     17.81366144     10.02881045     -9.21783288
  H     16.77008519      6.65594673     -9.57896123
  H     15.62145577     11.85268536    -16.04763530
  O     13.87245957      9.26639026    -11.85235858
  H     19.32624682      7.34986469    -15.94654280
  H     14.90706328     13.13823097    -15.57121595
  O     15.03296257     12.21642485    -15.36178051
  H     20.84792438      7.33585481    -15.68154191
  H     15.74777585      8.54583919    -16.18495957
  O     15.34913833      8.39010851    -17.05785319
  H     15.68764669      5.13217898    -15.98360788
  H     14.89217271      7.54035597    -17.00028787
          69
 Energy    -248.28033660831804     
  O     15.39121596     10.79242396     -9.88495722
  H     15.83562164     10.05837245     -9.44655476
  H     19.12655742      8.99833848    -10.99676926
  O     14.83586262      7.99420806    -15.28324949
  H     15.92827590     11.00754899    -10.66129770
  H     16.88621970      7.85760886    -12.82312966
  O     15.04126552      4.85450567    -12.05037178
  H     14.88396189      7.03073538    -15.27057472
  H     15.65850891      8.31659721    -13.66649838
  O     18.34878780      6.80982567    -12.94559246
  H     13.95683042      8.23244988    -14.95357731
  H     12.37270182     11.53724617    -10.23437385
  O     15.57392499     12.08282529    -14.62076992
  H     15.03993054      5.61833802    -11.45937950
  H     13.75457263     10.86024858    -10.39597197
  O     10.66067452      6.13300387    -11.67825113
  H     14.15294328      4.46703110    -12.03373618
  H     13.27184533      4.57565284    -15.22369373
  O     12.43349256      8.55556668    -14.06389149
  H     18.73350495      7.32345613    -13.67017422
  H     12.28436071      3.65175360    -15.96934647
  O     14.96516376      7.23368982    -10.61715246
  H     18.12918419      5.92543800    -13.25866963
  H     13.10959174     11.19761550    -12.62658974
  O     19.18315585      8.71879609    -14.80749548
  H     15.44851390     12.95382652    -14.98737621
  H     12.86160741     10.36929768    -13.89823079
  O     10.68634836      6.48870528    -14.53567176
  H     14.70472447     11.78996725    -14.29172338
  H     16.57425994      4.36458797    -12.89692243
  O     16.89188485      9.81859485    -15.78529667
  H     11.24697904      6.87842716    -11.46521966
  H     17.69175301      3.38847301    -13.32347360
  O     18.79614961      8.21509056    -10.53380143
  H      9.93910903      6.16467450    -11.05512836
  H     15.80920963      4.83179801    -14.87659727
  O     16.07656747      8.38766501    -12.80009044
  H     12.50655213      8.41909028    -13.11018751
  H     14.78523741      5.27032950    -13.85063885
  O     12.84451647     10.88473871    -10.74483696
  H     11.76409782      7.92891705    -14.37233771
  H     11.81370265      4.68083614    -12.05009595
  O     12.35662903      4.25386260    -15.23254697
  H     15.48684994      7.54370596     -9.86775336
  H     12.31244401      3.94884532    -13.30875992
  O     13.23197452     11.20392642    -13.58313046
  H     15.31931986      7.69813395    -11.39417690
  H     18.58457118     10.69553493    -12.27415372
  O     17.31287119      4.24179516    -13.51928968
  H     18.37895853      9.13296311    -15.16782866
  H     19.47501883      9.80817988    -13.15330302
  O     14.93389825      5.22475360    -14.80836796
  H     19.85752006      8.81249369    -15.47527567
  H     12.47640312      9.10624506    -11.02243884
  O     12.45762309      4.03061174    -12.35871613
  H     11.17712865      5.72335531    -14.85884652
  H     13.29381817      7.78948845    -10.95176255
  O     19.45036050     10.26441459    -12.30506410
  H     10.52543174      6.32096539    -13.59822914
  H     17.04073119      8.37312584     -7.93733859
  O     12.45519216      8.16824767    -11.25252083
  H     16.16634161      9.17925397    -15.79160898
  H     17.49830032      8.39034195     -9.41399501
  O     16.72176071      8.47332220     -8.82977940
  H     16.50713571     10.64182659    -15.46160798
  H     16.42220343     11.54256055    -13.04500349
  O     16.75380867     11.04317611    -12.28987231
  H     18.71788962      7.54733816    -11.22551395
  H     16.52413417     10.11631203    -12.46002813
          69
 Energy    -248.28029587097032     
  O     14.49885204      7.30338532     -9.03964086
  H     14.56506566      6.88213254     -8.18779350
  H     12.29584184     11.66310718     -9.68890027
  O     17.47125347     11.01674609    -15.23497026
  H     14.81994124      8.21797616     -8.92978278
  H     15.93991537      5.54186795    -14.64310101
  O     12.37774690      8.27582819    -10.70007536
  H     17.15127053     10.70653764    -16.08814466
  H     16.77900932      4.31595743    -15.05737834
  O     14.83902059      8.83689134    -15.27306904
  H     17.87628046     10.23744111    -14.82541680
  H     15.48840132      7.97977152    -11.88251666
  O     18.83762716      8.75229791    -14.33856751
  H     12.99624693      7.83590993    -10.10483915
  H     15.25958882      7.01273663    -10.68425318
  O     20.94255109     10.03123768    -13.00476567
  H     12.44649762      9.21562302    -10.49338244
  H     17.62513155      6.52667289    -16.11063461
  O     18.07897388      6.66032310    -12.66345861
  H     15.37629814      8.94333815    -16.06613139
  H     18.45295519      7.79590000    -15.84925155
  O     11.90223186      7.31153920    -13.19940350
  H     14.77421125      7.90048593    -15.05028736
  H     17.83711384     13.62917875    -10.84312510
  O     15.79758302     12.73024265    -13.66082486
  H     19.64910222      9.12633762    -13.97432287
  H     17.63707596     12.14823748    -11.24229713
  O     12.39963136      9.89746273    -14.41363806
  H     18.52807089      8.09110394    -13.70489528
  H     17.10613455      8.59799540    -17.24010791
  O     13.54496080     11.60782552    -12.59959986
  H     20.50223164     10.87642851    -13.20811061
  H     16.46999104      9.43140880    -18.38075276
  O     12.89793160     11.02493941    -10.06216969
  H     21.87388861     10.16097898    -13.15998284
  H     15.43241677      9.36414443    -13.61513851
  O     16.83463135      5.25347795    -14.88618463
  H     17.85902739      6.05752163    -13.38242035
  H     14.80034434     10.23656796    -12.52218860
  O     15.58936769      7.06009686    -11.58827755
  H     17.25438672      6.77607113    -12.16717175
  H     18.87593079     11.98669356    -14.34844063
  O     18.02105065      7.28668429    -16.55156825
  H     12.07161892      7.63983442    -12.29795914
  H     19.00635356     12.62312618    -12.95311686
  O     17.77332347     13.04514351    -11.59398369
  H     11.03050932      6.92424185    -13.18562141
  H     16.75061832     10.17033006    -11.54921375
  O     16.54536621      9.37118562    -17.43273431
  H     16.29143308     12.14279235    -14.24782400
  H     18.07292303      9.84726395    -10.79217922
  O     15.47880594      9.56626926    -12.67159866
  H     16.41902447     12.98704564    -12.96935363
  H     14.84531185      6.47941545    -13.12114693
  O     19.52016930     12.23627518    -13.67350581
  H     13.21157115      9.63593123    -14.87078694
  H     13.50702384      6.54849470    -13.86225039
  O     17.32560341     10.46136506    -10.82636431
  H     12.07746441      9.08053656    -14.01612360
  H     19.12282992      7.85685339    -11.45287790
  O     14.43781263      6.32401930    -13.98778166
  H     13.04802942     11.12263720    -13.27573228
  H     20.03231640      9.09642851    -11.60137806
  O     19.40771443      8.66206153    -11.00562444
  H     14.25525462     12.11074123    -13.02631066
  H     16.02284158     10.13853364     -9.51232001
  O     15.26676979      9.88504028     -8.96735419
  H     13.10067884     11.32577531    -10.96609865
  H     14.50362275     10.37979160     -9.29262513
          69
 Energy    -248.27998910640434     
  O     12.55438218      3.95269969    -13.73646554
  H     12.25378251      4.44931843    -12.95400367
  H     16.86560172      5.66932115    -12.83771445
  O     17.12641599      7.11533865    -11.80907050
  H     11.81388389      3.43030570    -14.03218061
  H     20.27800016      8.81474916    -11.67292709
  O     15.45068766     11.33040226    -12.41172345
  H     16.65524298      7.72521548    -12.40131852
  H     19.32597434      8.65627149    -12.87884996
  O     17.04744594      9.37776809    -15.97928531
  H     17.99137567      7.51735977    -11.67404578
  H     14.94180177     11.86504032    -17.33967825
  O     14.92112333      3.28366872    -12.23374720
  H     15.63428500     10.45120780    -12.77985478
  H     14.60915829     11.31922530    -15.92978586
  O     13.62562515     10.42289334    -10.43439386
  H     15.86051975     11.97721083    -13.00327873
  H     14.99460489      8.60189378    -13.71503240
  O     15.20770864      6.89186009     -9.86523360
  H     16.70320984      8.56589003    -16.38667866
  H     16.35859614      9.01426983    -14.34435236
  O     13.48729788     10.89595808    -14.66765833
  H     16.51367542     10.11839714    -16.28611395
  H     12.53519917      4.91245227    -10.78866819
  O     18.42438325      5.62202516    -15.45398385
  H     14.11860607      3.35144020    -12.76596090
  H     12.08681741      6.24027775    -11.41877746
  O     15.68344971      9.38071864     -8.67348035
  H     14.67373409      3.57394717    -11.34714428
  H     16.83766796     10.85677467    -11.14776907
  O     19.18934872      8.25611934    -14.57407683
  H     14.18389436     10.87714742    -11.07882096
  H     18.07647607      9.93653697    -11.01283949
  O     16.65697603      4.98039712    -13.48408798
  H     14.22288968     10.14996426     -9.72750584
  H     14.07471617      4.05248802     -8.85355060
  O     19.35611341      8.80339268    -11.91617133
  H     15.92470228      6.90015270    -10.51644909
  H     14.49874609      5.27472648     -9.69977847
  O     15.33918001     11.57229112    -16.52409506
  H     15.32217704      7.68643487     -9.32842389
  H     16.22298911     12.54050530    -15.18831765
  O     15.90658403      8.84554126    -13.50702147
  H     13.86045278     11.18958790    -13.83105646
  H     17.46034685     13.22870996    -14.59274856
  O     11.94413303      5.28548669    -11.45485654
  H     13.26319956      9.96218553    -14.54571750
  H     15.14510342      5.54419245    -14.42772751
  O     17.40460508     10.40939003    -10.50782699
  H     18.93413840      4.87139613    -15.74829547
  H     13.68169511      5.11074861    -14.65807537
  O     14.05932939      4.40830100     -9.73835939
  H     17.83187198      5.29958720    -14.75289634
  H     13.00376894      8.82711570    -11.03944958
  O     16.58958562     12.90704286    -14.37028724
  H     16.35559645      9.73538394     -9.28314132
  H     13.73185840      7.48600780    -10.88608279
  O     14.34303325      5.76320127    -14.92215053
  H     15.87998375      9.73740299     -7.81133177
  H     13.54791550      7.32766292    -14.42644290
  O     12.97694316      7.90152674    -11.32216070
  H     18.58765465      8.78057410    -15.11953085
  H     13.06787997      8.04055140    -13.12019243
  O     13.28075300      8.17943627    -14.05495191
  H     19.04986580      7.34240622    -14.85092726
  H     15.45755942      6.51235870    -16.30618231
  O     16.20870274      6.90223977    -16.77030506
  H     16.14759933      4.29334076    -13.03017502
  H     16.98512592      6.41168093    -16.47106618
          69
 Energy    -248.27996861273482     
  O     10.53815085     10.44064072    -10.71705363
  H     11.22932962     10.85045453    -10.16689505
  H     11.14637715     11.33456252    -17.58493829
  O     14.55163481     10.82119841    -12.65721939
  H      9.79876344     10.26210038    -10.14204048
  H     13.97416979     13.64641582    -14.25218012
  O     17.05526398     12.89213558    -14.24720817
  H     15.48945928     11.01955462    -12.53573515
  H     13.74905758     14.28126868    -15.63437440
  O     10.70213342     11.79942373    -13.17333274
  H     14.33887761     10.11437355    -12.03747463
  H     18.01325352     11.14497236    -17.18045541
  O     12.18722265     14.72440629    -16.59029349
  H     17.30035977     12.32029649    -14.98621835
  H     16.55875073     11.25887392    -16.67150370
  O     14.81671954     11.65363170    -16.76473028
  H     16.25564394     13.35631321    -14.51933164
  H     13.82173757     14.78830429    -10.07488326
  O     14.76647230      9.90456904     -8.73914960
  H     10.96362501     11.06040640    -13.74369665
  H     13.60349533     13.69323533    -11.14422333
  O     13.11181549     13.09332689    -12.74086556
  H     10.51963166     11.41587319    -12.30727374
  H     16.85697999      8.45046419    -14.30168374
  O     14.12859207      9.57960665    -15.09593261
  H     11.45136944     14.25271782    -16.15952053
  H     17.08000253      9.31019427    -15.57237665
  O     17.04608716      8.46419143    -12.39567071
  H     11.84905467     15.57601302    -16.85412017
  H     15.48232644     12.80709833     -9.92704733
  O     12.51966766     11.54809393     -9.25531859
  H     14.50715991     10.89092938    -16.25347728
  H     15.77993177     11.40822977     -9.35788724
  O     10.39536269     10.87734572    -17.16611710
  H     14.69743432     12.42969299    -16.19773622
  H     10.99807617      9.95037108    -15.63793244
  O     14.41791327     13.84833930    -15.08807522
  H     14.95997684      9.33174020     -8.00171968
  H     12.35840146      9.56500083    -15.00797833
  O     17.46938066     11.04796729    -16.40238860
  H     14.67434837      9.33486878     -9.52256322
  H     12.37909106     13.21460132    -17.78753867
  O     13.89168423     13.84966479    -10.22917286
  H     12.20721264     12.79185229    -12.89434586
  H     13.33486416     12.01653406    -17.84648204
  O     16.64098205      8.51724479    -15.24022974
  H     13.64626600     12.28357825    -12.68710072
  H     11.76321972      8.71054748    -13.13822267
  O     16.18641937     12.15798105     -9.81013856
  H     14.25606327     10.04142649    -14.25417218
  H     11.48335271      9.08042281    -11.67451718
  O     11.41202386      9.65528731    -14.81771662
  H     14.92163540      9.04176810    -15.23016993
  H     17.31374302     11.86279333    -12.81086823
  O     12.47390640     12.32776749    -18.15626273
  H     17.21607859      9.41552070    -12.27832206
  H     17.01423718     11.59502538    -11.28411008
  O     12.02215095      8.50510336    -12.23263539
  H     17.79948416      8.00629495    -12.02998610
  H     10.09565371     12.46020989    -16.10753224
  O     17.25886941     11.17980779    -12.12568158
  H     13.24588338     10.97591821     -8.97812043
  H     10.23636950     12.86231634    -14.63327216
  O     10.18159724     13.22638950    -15.52650054
  H     12.92367656     12.38785519     -9.50434835
  H     13.65437384      8.30488977    -11.51621871
  O     14.48316254      8.49881338    -11.04974146
  H      9.84133269     10.55667516    -17.87283670
  H     15.24166145      8.28895032    -11.60737204
          69
 Energy    -248.27992939557583     
  O     16.50509635     11.44772100    -17.34285552
  H     16.17562198     10.73192044    -17.87959810
  H     16.39349737     13.29791031    -18.01039193
  O     19.86759515     17.75164138    -14.72092088
  H     17.46282533     11.50655671    -17.51224457
  H     19.26171271     12.72970790    -18.17548202
  O     19.35808804     11.50567352    -12.91787544
  H     19.68976070     18.42039826    -14.04824927
  H     19.67336028     11.81232250    -17.00877934
  O     15.87167355     16.23813899    -13.18368043
  H     18.99620066     17.43429602    -15.00582675
  H     20.60099936     15.34502627    -12.83128547
  O     15.24681750     16.31896109    -17.15361532
  H     18.41893653     11.37341075    -12.75189015
  H     20.86668123     16.61894527    -13.67339222
  O     16.50122315     11.86135512    -12.30219789
  H     19.51111888     12.42214709    -12.64680071
  H     16.41113138     15.05426678    -11.94381662
  O     14.15469068     14.94334463    -14.87378332
  H     16.50450450     16.44554837    -13.88389056
  H     17.14791087     15.02449568    -10.57937318
  O     20.37756614     12.21584729    -15.38960038
  H     15.11903229     15.83187033    -13.63651341
  H     16.03041192     12.22937316    -14.10056691
  O     22.33565263     14.23648567    -14.96251076
  H     14.79037028     16.82952403    -17.81653118
  H     16.01111795     12.09072020    -15.67658721
  O     16.87974275     18.23068981    -11.50473934
  H     15.64417696     15.55458462    -17.60959022
  H     21.37798076     15.33262444    -16.23164550
  O     19.24787943     14.28586792    -12.59908446
  H     16.57616284     12.73778302    -11.89019606
  H     20.55500240     16.63451407    -16.17303200
  O     16.48948723     14.21539645    -18.28608112
  H     15.98583713     11.32762113    -11.70135296
  H     19.98516920     18.16542975    -11.33524345
  O     19.13524125     11.84411368    -17.81282215
  H     14.64399542     14.10996836    -14.91870786
  H     20.81949570     16.88817714    -11.46786503
  O     21.29889628     15.96353764    -13.10611791
  H     14.38368626     15.42309879    -15.67963625
  H     18.26722750     19.03441549    -12.21070537
  O     16.79938983     14.46038649    -11.28183710
  H     20.09726928     11.82291628    -14.54965486
  H     19.07487957     20.33672647    -12.41624806
  O     15.85700253     12.68794800    -14.93209300
  H     21.11412735     12.81325798    -15.21300947
  H     18.90078932     16.66809725    -10.02923942
  O     20.79159614     15.89768421    -16.74835410
  H     23.28696205     14.16912825    -14.93414592
  H     18.15213244     16.47819967     -8.69226573
  O     20.29093096     17.39458633    -10.84013105
  H     22.07659402     14.83538932    -14.24185564
  H     18.93755725     13.42960667    -15.42117375
  O     19.11798528     19.39030820    -12.52476655
  H     16.38549147     17.63807510    -12.08753158
  H     17.41030731     13.59627777    -15.11996603
  O     18.06378944     16.36423862     -9.63514465
  H     17.16933040     17.68128946    -10.76710020
  H     19.63404694     14.87715893    -19.45859159
  O     18.25591984     14.06319032    -15.16715977
  H     18.90537742     14.24329167    -13.50519432
  H     19.78730169     15.06913111    -17.93770526
  O     19.29277313     14.58129783    -18.61785302
  H     18.47645223     14.39322067    -12.03154113
  H     16.73008984     16.68017692    -16.07458314
  O     17.47144642     16.65022658    -15.45801248
  H     17.43752252     14.37067343    -18.39106647
  H     17.80495644     15.73823968    -15.46125749
          69
 Energy    -248.27974582557061     
  O     16.43401373     13.10124014    -15.60738065
  H     16.42234588     13.91610486    -16.10234345
  H     16.10834510      8.36470170    -18.38031046
  O     15.83019446      7.06869100    -13.50840947
  H     15.50418141     12.86797719    -15.43403755
  H     14.78948848      9.71865658    -14.69536462
  O     17.77069377     12.56591641    -13.14851819
  H     15.34158551      6.95202652    -12.68663584
  H     16.30129922      9.96285592    -14.84244541
  O     19.35390150      7.66613467    -17.58874738
  H     15.78010292      8.01656632    -13.71495369
  H     12.34662416      8.49989862    -13.39167904
  O     16.34423099      9.06865687    -10.50123218
  H     17.04058451     12.23491476    -12.60735511
  H     13.18828022      8.42662440    -12.09334642
  O     11.82637302      7.72177743    -15.06119973
  H     17.36848886     12.85681948    -13.97505155
  H     18.92624870      8.04850436    -12.28024246
  O     12.83216530     11.71815107    -12.55024038
  H     19.53576386      8.29851112    -16.88393128
  H     19.28062246      9.51829525    -12.00766405
  O     18.34455650      5.38067228    -16.18617983
  H     19.12012838      6.83990857    -17.14726897
  H     14.13407535      9.32729848    -16.74117013
  O     14.40258138      7.33405490    -11.12560527
  H     16.08705659      9.93189428    -10.84955496
  H     12.88971443      9.05857739    -15.83580495
  O     17.40673434      7.88181440    -19.52682407
  H     17.25194170      8.91882773    -10.80221948
  H     19.77037578      9.91983364    -14.53713989
  O     15.72008753      6.27110275    -16.12839157
  H     10.89264901      7.65532723    -15.24777135
  H     19.15242644      8.52084228    -14.74722736
  O     15.64112442      8.64485876    -17.58059097
  H     12.23455832      6.90593406    -15.39612692
  H     18.68211207      6.34278256    -14.56001654
  O     15.62705574      9.67003149    -14.21628403
  H     12.08587900     12.07035812    -12.07292687
  H     17.64402518      7.00013333    -13.63329633
  O     12.62156732      9.00525528    -12.61826482
  H     12.72160561     10.75020834    -12.56605840
  H     20.69888241     11.50633792    -12.70721284
  O     18.87873429      8.73827475    -11.60767753
  H     17.40235353      5.61148498    -16.24434457
  H     19.19783571     11.59672907    -13.07014188
  O     13.52784130      9.73012260    -16.10322603
  H     18.41922658      4.46064299    -16.42616916
  H     18.09169306     10.20743266    -15.97685989
  O     19.45845418      9.30954491    -15.21784518
  H     15.10505832      7.94842302    -10.83787687
  H     17.11683938     11.44423347    -16.14482743
  O     18.58452857      7.00372495    -13.86502068
  H     14.18422313      6.79447158    -10.37135212
  H     14.65341359     11.62051213    -11.99971690
  O     19.96725424     10.99959135    -13.04891440
  H     18.14767252      7.84033769    -18.89798851
  H     15.63901336     10.71265751    -12.74540969
  O     17.23143994     10.50031509    -16.30903772
  H     17.79153969      8.10048305    -20.37113074
  H     13.64206495     11.52943593    -15.62541257
  O     15.56774976     11.31713227    -11.98888118
  H     15.70167310      7.09322454    -16.64029778
  H     13.48387304     12.25005688    -14.27580442
  O     13.85271887     12.35147260    -15.16152945
  H     15.71533509      6.50361816    -15.18633293
  H     14.00805497      5.69178639    -16.16892141
  O     13.05761812      5.51280570    -16.09410024
  H     16.20713705      9.31916107    -17.17420279
  H     12.90623883      4.69141266    -16.55439655
          69
 Energy    -248.27968056348254     
  O     14.24401005     11.40668798    -10.69805870
  H     14.46748764     10.77418335    -10.00617463
  H     17.03587009     10.70575066    -15.68926964
  O     15.63687401      8.01763677    -15.46251403
  H     15.06746665     11.55471331    -11.18378596
  H     17.87429259      7.82178357     -9.87140721
  O     14.33429486      5.33294112    -12.17299413
  H     14.71642970      8.27955916    -15.60140017
  H     18.20999656      9.28726836    -10.26083924
  O     18.24118114      5.99037479    -10.30178741
  H     16.23252887      8.68317152    -15.82952657
  H     15.80573345      8.59978353    -13.74455504
  O     16.08712268     11.85901732    -14.88217465
  H     13.47159187      5.26719814    -12.60638399
  H     16.86951129      8.15940423    -12.72918553
  O     11.91221326      5.65916427    -13.42894392
  H     14.32136672      6.16861789    -11.68220066
  H     11.47689716     11.87213178    -12.11880547
  O     12.92043351      8.47490513    -15.47329133
  H     17.49466661      5.36679875    -10.29560737
  H     12.86362242     11.29795159    -11.74858675
  O     14.23524936      7.82606539    -11.04569324
  H     18.97149435      5.54678618     -9.87685693
  H     15.14073362      4.66562207    -15.66993436
  O     19.26776824      9.21546409    -13.88657838
  H     16.29180063     11.87309040    -13.93909824
  H     15.00642079      3.67045144    -16.83202871
  O     12.24382091      5.85013588    -16.28859293
  H     15.13116312     11.71819514    -14.95340632
  H     13.16102936     10.36954157    -15.29559184
  O     18.17457365      6.81004666    -12.98845680
  H     11.78039394      6.58332818    -13.17872408
  H     12.94405228     11.30988108    -14.09680618
  O     17.53511621      9.96910606    -16.09023087
  H     11.93537878      5.64934257    -14.39281742
  H     15.47198850      4.53554384    -11.05641603
  O     17.65126066      8.74266143     -9.69294383
  H     12.62689326      7.64211729    -15.86251330
  H     15.77987853      3.49101088     -9.97357267
  O     16.08445192      8.71280152    -12.82691921
  H     12.66010743      8.44630564    -14.54028436
  H     15.46481613      5.46639222    -13.61506220
  O     12.11729976     11.21142675    -12.36854923
  H     14.40164409      8.25390946    -10.19918913
  H     15.91649677      6.39781085    -14.79350866
  O     14.53040995      4.34236219    -16.35087917
  H     14.89138986      8.18848564    -11.66313743
  H     20.02516807     10.84254640    -11.26913266
  O     13.39405229     11.23840428    -14.94725687
  H     18.72893148      9.47916704    -14.64137034
  H     19.26598234     10.01911872    -12.33382124
  O     16.14848868      4.24761473    -10.42222824
  H     19.02117626      8.30236525    -13.68202052
  H     11.96686877      9.37709567    -12.64620859
  O     16.06788226      5.53686280    -14.36933530
  H     13.04491933      5.30400477    -16.36267785
  H     12.81601440      8.20716242    -12.12444107
  O     19.19259196     10.41296380    -11.44595600
  H     11.62376114      5.51724089    -16.93253588
  H     16.05386577      9.17577715     -9.14574704
  O     12.14267947      8.43703252    -12.78040162
  H     18.27450184      6.45287754    -12.09772717
  H     15.11329574      9.35823054     -7.93182872
  O     15.13264254      9.35708002     -8.88473068
  H     17.57659848      6.22836502    -13.47644123
  H     16.36802632     10.44356459    -12.41204630
  O     16.61281802     11.34901774    -12.16136851
  H     17.89801475     10.29591780    -16.90875754
  H     17.51829543     11.27772939    -11.84133221
          69
 Energy    -248.27965158490923     
  O      0.45111248      7.65856983     -2.52671350
  H      0.81588581      7.39404393     -1.67206498
  H     -1.17094154     10.33213387     -2.88620779
  O     -1.64141145     11.02681442      0.31759401
  H      1.17242261      7.63232681     -3.16166431
  H      3.38926488     12.19710900     -7.23591024
  O      1.16339061     10.10970849     -5.48541204
  H     -2.56947791     11.03036900      0.54010442
  H      3.85442168     11.16425472     -6.18197233
  O      1.42485545     10.94279415     -1.48719398
  H     -1.56256445     10.57305987     -0.53980811
  H      2.75793386     13.97815023      0.20107492
  O      3.92832443     13.78891080     -1.07540528
  H      1.63871520      9.31539686     -5.21516271
  H      2.31511535     14.76818935      1.45474488
  O     -0.94656118     11.37120684     -4.40143607
  H      1.82452374     10.72362697     -5.82813697
  H      1.11358925      9.94633071      1.53286910
  O      4.92332940     10.01339544      0.75789993
  H      0.61499462     10.43251667     -1.60199019
  H     -0.37311392      9.85786049      1.16506057
  O      4.06724353      6.00719350     -2.95615225
  H      1.27527478     11.78333027     -1.93722753
  H      3.02044803      8.66367340     -3.68213123
  O     -0.36098899     13.54655519     -0.44135868
  H      3.75546151     13.74099615     -2.02230485
  H      3.19893284      7.19389390     -4.08994523
  O      4.03150167      7.61064822     -0.61597976
  H      4.68507917     13.21411920     -0.90615194
  H      5.82871640     11.65416590     -2.48998865
  O      3.28914083     13.22054077     -3.83455316
  H     -0.20972239     10.88176697     -4.81242757
  H      4.75737909     12.14151965     -3.50897050
  O     -1.11380064      9.82204671     -2.06829668
  H     -1.59898216     11.51201196     -5.08215903
  H      0.04117474     12.69208926     -3.48001467
  O      3.22554787     11.88921428     -6.34828293
  H      4.06220709     10.39241340      0.98571267
  H      0.21972822     13.46370798     -2.12929259
  O      2.11449604     13.99587731      0.93289258
  H      4.75198260      9.11667637      0.45049267
  H      2.82564587     10.14167385     -2.07778790
  O      0.38042963      9.32238854      1.43875684
  H      4.73962981      5.33027800     -2.95885973
  H      4.26432998     10.27690507     -2.67568998
  O      2.77804478      8.01895172     -4.36897649
  H      4.14541430      6.45592256     -2.10063386
  H      4.31186299      9.09713620     -5.27214370
  O      5.43260359     11.46512687     -3.35090052
  H      0.41323698     13.72216367      0.10878931
  H      5.22632254     10.27179548     -4.83041786
  O      0.66512423     13.20603838     -2.95198012
  H     -0.76501946     12.73952870     -0.10157710
  H      2.33631052     12.14660193      1.26928819
  O      3.59733277      9.64510391     -2.38554547
  H      3.14928501      7.41815528     -0.27099027
  H      2.07007593     11.08582445      0.19224492
  O      4.83481796      9.83580259     -5.60077451
  H      3.92638444      8.35561478     -1.23098185
  H      0.97859890      7.90519007      0.61679434
  O      2.40326740     11.20060780      1.09625535
  H      2.36385576     13.29753799     -3.55753733
  H      1.05914081      6.36302906      0.59720198
  O      1.34817589      7.14539854      0.13367505
  H      3.26054540     12.89328307     -4.74272299
  H      6.93612611     12.20029078     -0.26324780
  O      6.11397342     11.97193934     -0.68880575
  H     -0.68055318      8.97916722     -2.27603189
  H      5.72412019     11.24526029     -0.17071165
          69
 Energy    -248.27930806717745     
  O     -6.42345569      1.18455566     -5.14560348
  H     -5.96697481      0.48987651     -5.63998888
  H     -2.82113536      1.10339179     -3.96358978
  O     -4.32923813      4.29516995     -5.04185426
  H     -5.80641862      1.44674862     -4.45379812
  H     -0.87745270      3.03140685    -11.85146380
  O     -3.01884845      0.38379469    -10.12883718
  H     -3.54900803      4.81787768     -5.28529042
  H     -0.56839026      4.28768106    -12.69849083
  O     -3.73162158      2.32199330     -6.97847795
  H     -5.07767252      4.69590712     -5.49901992
  H     -0.79504439      2.90900884     -6.91908207
  O     -6.16036050      5.43573993     -6.86035744
  H     -3.78501294     -0.19576283    -10.01221157
  H     -0.89971236      1.36308424     -7.11864229
  O     -7.24211563      2.77041181     -7.28189481
  H     -3.37276048      1.27590980    -10.01511792
  H     -1.36560416      4.55343604     -8.51273896
  O     -2.20526017     -1.46182280     -6.00993309
  H     -2.78402214      2.22528953     -6.81454689
  H      0.12774511      4.19172097     -8.41051172
  O     -0.91486910      1.29940675    -11.73740179
  H     -4.05623402      2.95376628     -6.32727345
  H     -5.25536672     -0.72352227     -8.50009085
  O     -1.06487560     -0.11588858     -8.22046919
  H     -6.82117981      6.11335231     -6.73166488
  H     -6.03135436     -0.01655610     -9.61864055
  O      1.07051484      0.64120167     -9.78398905
  H     -5.47768147      5.81988666     -7.43165979
  H     -2.87422882      6.24523600     -6.81318158
  O     -6.92912374      1.71345132     -9.73944667
  H     -6.90121354      3.65916177     -7.14179704
  H     -1.60798186      5.40788064     -6.58588326
  O     -2.05516477      0.63253280     -4.31236683
  H     -7.02565050      2.25151712     -6.49302547
  H     -3.56399800      6.01291474     -8.94759434
  O     -0.77786008      4.00009434    -11.81375673
  H     -2.13788718     -0.77076179     -5.32516076
  H     -4.01320982      7.47154734     -8.72467400
  O     -1.02304601      2.07841560     -6.47972982
  H     -2.04214675     -2.29643221     -5.57921033
  H     -4.38716842      0.60223017     -6.85532608
  O     -0.64675638      4.42771964     -7.87947656
  H     -0.15987683      1.00872086    -11.21122944
  H     -3.92673021     -0.82946025     -6.50039127
  O     -5.42499048     -0.74824485     -9.45279230
  H     -1.68965692      0.88983438    -11.32928321
  H     -5.25012506      2.48260709     -9.76813969
  O     -2.34422928      5.82993560     -6.12330705
  H     -1.77694486      0.01862878     -8.86419463
  H     -4.19066950      2.63891211     -8.63927876
  O     -4.06687804      6.59442358     -8.35207940
  H     -1.40522681     -0.69042510     -7.52361285
  H     -4.43680245      2.36925509     -2.45304420
  O     -4.69282311     -0.31421027     -6.77675666
  H      0.38415705      0.30393241     -9.18475688
  H     -4.31463829      2.96255113     -3.87393677
  O     -4.35106304      2.78215085     -9.58631884
  H      1.78690401      0.01150959     -9.76093907
  H     -3.26702597      4.11117026     -9.85920971
  O     -4.32596570      2.13077174     -3.37053856
  H     -7.10829181      2.05418338     -8.84352393
  H     -2.01270323      4.65873886    -10.60152545
  O     -2.62829529      4.84199102     -9.88105527
  H     -7.73813152      1.80588097    -10.23471395
  H      1.23739983      2.56172029     -9.70937215
  O      1.17588526      3.52489858     -9.71636165
  H     -1.59542297      1.24700674     -4.90184461
  H      0.63841766      3.74867589    -10.48619384
          69
 Ord_Energy   -248.279114    
 O    2.62006998      0.102101497      -1.57378364    
 H    2.38593626     -0.485361159     -0.839671612    
 H    3.01374722     -0.456989557      -2.24026537    
 O   -6.48300695      -1.26362646      -1.63895094    
 H   -7.41032791      -1.46404219      -1.73276782    
 H   -6.38789701     -0.767395377     -0.806155860    
 O   -3.69717503      -1.34634316       1.09574795    
 H   -3.03265691      -1.02301168       1.71972370    
 H   -3.32284570      -2.13002539      0.674509883    
 O   -2.25063252      -3.36479974     -0.236160859    
 H   -1.65106094      -2.80193448     -0.749641478    
 H   -3.01886344      -3.51093102     -0.808418453    
 O   0.496049821       1.91187918      -1.51598465    
 H    1.14078904E-02   1.85039306      -2.34803867    
 H    1.29854023       1.38061845      -1.61551011    
 O   -3.41381145       2.56581354      -3.48885226    
 H   -3.94719434       1.75887978      -3.49663687    
 H   -3.43839359       2.89211535      -2.57986259    
 O   -3.42528486      -2.18288589      -4.47669125    
 H   -3.51442909      -2.58466077      -5.33655977    
 H   -2.52661967      -1.80931783      -4.43328142    
 O    1.38065660      -1.29983938      0.515092432    
 H    1.06164014     -0.449306965      0.856932402    
 H   0.916625082      -1.98381567       1.01103091    
 O   -3.14901948       2.94932389     -0.695474982    
 H   -2.33850145       3.45956445     -0.554941893    
 H   -2.89649343       2.01838446     -0.787301719    
 O  -0.632338464      -1.50415933      -1.49202514    
 H   0.117989309      -1.37341273     -0.902895808    
 H   -1.27326906     -0.795344532      -1.32352030    
 O   -4.56433105       3.16688716E-02  -3.19411445    
 H   -4.21798182     -0.684664786      -3.74226260    
 H   -5.32169104     -0.329396427      -2.71485758    
 O   -6.01474953       5.23770303E-02  0.666915417    
 H   -5.28109646     -0.516344130      0.946236432    
 H   -5.74821234      0.947954416      0.901550651    
 O   -4.88688087       2.59650183       1.36670792    
 H   -5.41268969       3.37726903       1.52430367    
 H   -4.31399202       2.79556799      0.605600476    
 O  -0.467497081      -3.05948257       1.86588192    
 H  -0.326914877      -3.85773706       2.36973834    
 H   -1.10895371      -3.28206825       1.17053223    
 O   -1.56517100     -0.504946053       2.60529971    
 H   -1.16495085      -1.38147581       2.56181836    
 H   -1.01563001       6.59933090E-02   2.04647398    
 O   -2.67509937       2.10087371       3.13250947    
 H   -3.47029328       2.20398235       2.59550667    
 H   -2.45317864       1.16230178       3.13433623    
 O   -1.00586271      -1.02142394      -4.19323397    
 H  -0.934493601      -5.94698414E-02  -4.21820021    
 H  -0.738060594      -1.28158927      -3.30033231    
 O   -4.36643076      -3.25048614      -1.96860862    
 H   -5.11608696      -2.67060757      -1.79159403    
 H   -4.03495169      -2.99062324      -2.83744812    
 O   -2.74603486      0.222139210      -1.04347968    
 H   -3.15236354     -0.257116079     -0.309695005    
 H   -3.33960915      0.139618933      -1.80286753    
 O  -0.721279562       4.16233397     -0.268717289    
 H  -0.154591635       3.52830839     -0.728299320    
 H  -0.550032139       4.05105400      0.674741924    
 O   0.149604335       1.08642340       1.11149967    
 H   0.144938752       1.36376464      0.184203386    
 H   0.111351542       1.89286637       1.64031410    
 O  -0.402512431       3.44721198       2.49556017    
 H   -6.36705086E-02   3.91719699       3.25239038    
 H   -1.25068569       3.05102205       2.76509237    
 O  -0.855639517       1.81991220      -4.00459480    
 H   -1.77108824       2.11255217      -3.85170817    
 H  -0.501430452       2.38642216      -4.68594646    
          69
 Energy    -248.27909320236361     
  O     16.87055200     10.13769646    -15.92705992
  H     16.78782541      9.79523098    -16.82996702
  H     16.57433602      5.01725698    -12.05569636
  O     15.17279770      5.09273831    -13.09448604
  H     16.83721179      9.34644049    -15.36561351
  H     19.59608562      8.60766713    -16.68253376
  O     16.80063141     12.90748984    -10.99630562
  H     14.76516738      5.95640218    -12.95516702
  H     18.84324250      9.80232150    -16.08237255
  O     19.64945460      8.01485257    -13.64685683
  H     15.44921387      5.07566633    -14.02147889
  H     17.85042171      7.78694744    -14.12888835
  O     14.65897698      6.69666117    -17.63178175
  H     17.50357698     12.50953410    -10.46718045
  H     16.74530932      6.98811435    -14.89160109
  O     16.31136401      9.85350803     -8.93336947
  H     16.92839488     12.58005493    -11.89634195
  H     14.00761695     10.80954292    -14.52423918
  O     14.66228423      7.89925587    -12.90672121
  H     19.81246363      8.53165648    -14.44986718
  H     14.97110000     10.65246764    -15.71581711
  O     17.03932467     11.34111045    -13.36065783
  H     19.43715966      8.62850526    -12.93116609
  H     15.85406404      7.81876510    -11.44844655
  O     19.27233050      5.30975188    -13.66371794
  H     14.17259794      7.16143603    -16.92499473
  H     16.96297124      6.86987510    -10.94813383
  O     18.88621535      4.76495805    -16.26138421
  H     14.00988027      6.41180404    -18.26926447
  H     13.64618624      7.78432033    -14.67977312
  O     16.20381295      5.43123769    -15.69395324
  H     15.58541214     10.40014961     -9.25984042
  H     13.54412506      8.94518531    -15.67170335
  O     17.37504557      5.10401026    -11.50743636
  H     16.32586035      9.05425344     -9.47540952
  H     19.12050008     11.41170851     -8.68350847
  O     19.68335335      9.33120045    -16.04903695
  H     14.43110377      8.83015236    -12.77492029
  H     17.79136710     10.76439669     -9.15034265
  O     16.93351708      7.81470602    -14.42785991
  H     15.46914252      7.89268408    -13.44977904
  H     17.87294486      8.97041486    -11.41420958
  O     14.03598944     10.67376404    -15.48010050
  H     17.08969374     11.12172575    -14.29802113
  H     18.71404582     10.19496136    -10.96653130
  O     16.60969088      7.76272638    -10.84955008
  H     17.61141891     10.72332469    -12.88244542
  H     15.28197836     12.27509340    -10.37464007
  O     13.45780389      7.98210138    -15.60092608
  H     18.67703056      5.17583269    -12.91811736
  H     13.92839160     12.38740259     -9.63063819
  O     18.57106399     11.26810215     -9.44881319
  H     19.56947561      6.23057226    -13.60468416
  H     19.78700375      6.90652452    -18.51293321
  O     18.52018611      9.62283229    -11.71900236
  H     19.22120593      3.89368690    -16.45611171
  H     19.11273541      6.28607794    -17.27200505
  O     14.50259585     11.77091385    -10.07726789
  H     19.06442019      4.92860955    -15.31592932
  H     14.27440522     11.00239672    -11.77243968
  O     19.18658159      7.09823278    -17.79499809
  H     17.05013782      5.09400335    -16.00981513
  H     15.34029802     10.88721513    -12.88508864
  O     14.43816326     10.62672865    -12.64499102
  H     15.69893441      5.75954115    -16.45036613
  H     17.54545054      8.05880548    -18.13661203
  O     16.74137554      8.59006672    -18.18073930
  H     17.37069666      4.37069777    -10.89693347
  H     16.00859926      7.96974550    -18.08039501
          69
 Energy    -248.27901543828330     
  O     -7.79022567     -3.55136200      5.47845506
  H     -7.20255815     -2.93296557      5.93076963
  H     -4.11652363      0.93144283      2.18552699
  O     -8.61966832     -2.75261734      2.27645896
  H     -8.62901647     -3.09908051      5.33778632
  H     -7.75101846      0.03788339      3.93718716
  O     -6.91661870     -4.75241223      3.20616196
  H     -8.06889205     -3.52280243      2.46467857
  H     -6.42518142     -0.74881237      3.64030837
  O     -5.04764803      0.96813555      0.60590915
  H     -8.14776794     -1.97543343      2.62009533
  H     -5.17319590     -2.12881524      7.21049028
  O     -6.82325958      0.86006702      6.73275959
  H     -6.90860077     -5.70025294      3.30623799
  H     -5.34154815     -1.66075607      5.74521418
  O     -5.51215483      5.28928824      2.24455862
  H     -7.17304323     -4.37942925      4.06964369
  H     -1.02105949      3.40159040      2.77923586
  O    -10.18151976      0.66691000      0.72100837
  H     -5.14043419      0.08162087      0.23805568
  H     -2.44301993      3.73084847      3.29728651
  O     -4.71777292     -1.30351195      4.15117726
  H     -5.95109774      1.25538524      0.80736084
  H    -10.09496020      0.67627916      3.92073761
  O     -3.99668241      3.60674355      0.72239572
  H     -6.50848583     -0.04921666      6.78599111
  H    -10.69504433     -0.72654717      3.76081017
  O    -10.33644846     -2.52081894      4.40582097
  H     -6.14278967      1.35967976      6.25899922
  H     -5.24672218     -2.63133818      1.27783513
  O     -5.78031892     -1.62978486     -0.28218438
  H     -5.64628584      6.11685656      1.79033378
  H     -5.56971608     -3.70416994      2.36014701
  O     -3.64601143      0.96098095      3.03099498
  H     -5.01293483      4.71364683      1.63784302
  H     -9.09833322     -0.75476604     -0.04439782
  O     -7.30435531     -0.53976331      3.30332484
  H    -10.95652515      1.06999417      0.33951214
  H     -8.64309212     -2.07037789      0.58982061
  O     -5.81950894     -1.82568707      6.57714476
  H    -10.40393800      0.45696110      1.64621802
  H     -8.16203265      1.23801033      5.63060143
  O     -1.94014852      3.17111843      2.67821756
  H     -4.69601276     -1.97242534      3.44886455
  H     -8.34069315      2.21982688      4.43740383
  O    -10.66976980      0.14486411      3.35105979
  H     -4.20320266     -0.54699816      3.84106913
  H     -4.24572716      4.99458085      3.68034502
  O     -4.92017503     -3.04495902      2.08601305
  H     -3.19565684      3.47770032      1.24583022
  H     -4.10729119      3.89105141      4.74023080
  O     -8.50666176     -1.50250961     -0.18265654
  H     -4.32000249      2.72163432      0.51170262
  H     -5.92560583      2.69612128      4.45895389
  O     -8.68307546      1.40738346      4.83035853
  H     -9.84080438     -2.67622739      3.58344844
  H     -4.65861033      1.82010556      4.33153583
  O     -3.61359376      4.58700253      4.28556932
  H    -11.04857767     -3.15681704      4.42018619
  H     -8.49146154      1.34181693      1.06803418
  O     -5.18455003      2.32897740      4.96241343
  H     -5.53573725     -2.00236851     -1.12623988
  H     -7.46433121      0.71226291      2.03275747
  O     -7.60944580      1.46529406      1.43754161
  H     -6.74974682     -1.54511106     -0.29031186
  H     -7.39763187      2.78983926      2.63805360
  O     -7.25340721      3.38808617      3.38660690
  H     -2.93618831      1.60656143      2.93198074
  H     -6.76485606      4.14335643      3.03710842
          69
 Energy    -248.27892458917472     
  O     -7.34283428      2.88568948     -1.16811428
  H     -6.56851169      2.97304040     -1.74475931
  H     -4.31036423      0.76542440      3.76757685
  O     -3.91279964      0.60840397     -3.66835287
  H     -7.66370141      1.98191085     -1.25847422
  H     -0.79909053      0.91493354      1.95698262
  O     -6.11742724      3.17116626      1.22904647
  H     -4.29238233      0.41854475     -4.52266165
  H      0.30669564      1.90568699      1.47677480
  O     -4.03843247     -0.60018439      2.60054018
  H     -4.50597242      0.21430640     -3.00419189
  H     -2.22702212      3.07527583     -0.68797881
  O     -1.64639506     -2.03995953     -0.65487325
  H     -6.65347484      3.14725425      0.42066891
  H     -1.48286122      2.16273276      0.36063041
  O     -5.45721346     -0.35380906     -1.64665252
  H     -6.60668978      2.74622204      1.94194883
  H      2.66021626      1.49860116      0.66179050
  O     -5.85609100     -2.60762220      1.87229102
  H     -4.63531322     -1.34990032      2.50043296
  H      1.59423858      1.41529085     -0.43925623
  O     -4.43543409     -2.66105451     -0.42979162
  H     -4.18356788     -0.02830832      1.82938037
  H     -8.01831404     -0.06648245     -0.18159539
  O     -1.53962415      0.21920025     -2.25137971
  H     -0.96042917     -2.63936387     -0.94097226
  H     -9.01882795     -0.19225549     -1.35530218
  O     -1.35533440     -0.74298322      1.89953945
  H     -1.60665025     -1.27330877     -1.24880758
  H     -1.67658685      2.79809704      2.90914182
  O     -7.13431326      1.65700211      3.37233976
  H     -5.09968873      0.16198520     -0.90606938
  H     -1.86663574      3.75286185      4.10457990
  O     -4.55093109      1.60780612      4.18112165
  H     -6.41742652     -0.26559591     -1.60139760
  H     -7.08319302     -1.17151377      1.65835104
  O     -0.56658689      1.85591594      1.88911206
  H     -5.35664563     -2.70018904      1.04041571
  H     -7.48425913      0.24444628      2.15106646
  O     -2.01344124      2.16492180     -0.44703206
  H     -6.04901251     -3.48942963      2.17822665
  H     -5.00028130      1.81579602      0.71291236
  O      1.77718447      1.78416497      0.43907879
  H     -3.48084960     -2.52914792     -0.46615272
  H     -3.58428488      1.48042205      0.15107455
  O     -8.14283123      0.10969639     -1.13269945
  H     -4.82156349     -1.94653601     -0.95478958
  H     -3.31318521      4.76606953     -0.20347983
  O     -2.34020096      3.30246593      3.40861945
  H     -2.26985927      0.29694393     -2.87692627
  H     -2.67663296      5.52208943     -1.39606529
  O     -7.65348578     -0.41662542      1.46921152
  H     -1.67290328      0.92670861     -1.59830240
  H     -4.29054572      3.68240473     -2.15104060
  O     -4.41671591      1.09189863      0.44886293
  H     -2.25192161     -0.77970346      2.26142349
  H     -4.49422137      2.39766470     -2.98593842
  O     -2.98391130      4.66460820     -1.11639694
  H     -1.39233339     -1.22443030      1.06583272
  H     -4.70363679      4.25956254      1.40674679
  O     -4.95631913      3.14892711     -2.60119245
  H     -6.22638263      1.66037902      3.72621444
  H     -3.33129692      4.29113860      2.12036325
  O     -3.84462730      4.70818889      1.41931534
  H     -7.70953908      1.90803234      4.09005975
  H      0.26574545      0.50883819     -2.22349782
  O      1.20173774      0.71375369     -2.07820752
  H     -3.83969737      2.21977881      3.96244618
  H      1.54836646      0.95748052     -2.93377559
          69
 Energy    -248.27875675276164     
  O     -3.84860420     -1.58534646     -1.97484833
  H     -4.33456997     -1.83426327     -2.75712618
  H     -1.78364063     -3.99599934      2.07576957
  O     -2.38310870     -1.08536782      1.70255521
  H     -4.14986886     -2.17618417     -1.26227198
  H     -3.91573657     -3.04560013      5.18498109
  O     -5.88305756     -2.58513226      2.53422365
  H     -2.35805154     -2.02837858      1.50148868
  H     -3.20803998     -3.88462858      4.11303986
  O      1.81705462     -2.27887867      4.77963299
  H     -3.29465928     -0.77460832      1.63433716
  H     -3.68107116     -0.42583986      5.96506724
  O     -4.58170899     -3.25103185      0.04977475
  H     -6.72277589     -2.95597101      2.79250917
  H     -2.83003891      0.37567766      4.96935280
  O      1.55429011     -3.30932654      1.44788750
  H     -5.22712855     -2.91143518      3.17558133
  H     -1.96836468     -1.61514935     -1.91886107
  O     -3.23314173     -2.13111299      6.71233217
  H      1.81397729     -3.19360951      4.46962740
  H     -0.74818321     -0.93548064     -1.24711297
  O     -4.99807352     -0.06514024      1.71296511
  H      1.84958215     -1.73298797      3.98622240
  H      0.40684711     -0.32447350      2.98478603
  O     -0.47838261      0.23303180      0.17335167
  H     -5.13393999     -3.06029481      0.81557022
  H      0.77163033     -0.29020772      1.51105552
  O     -0.08913143     -3.95242914     -0.74798498
  H     -3.75812304     -3.60979507      0.41090727
  H     -3.18099182      2.51277148      3.02879799
  O     -1.30192087      0.21785283      3.82070996
  H      1.06606704     -3.48818400      0.63557310
  H     -2.16986044      2.64156891      1.86549528
  O     -2.12433729     -3.82121485      1.18838087
  H      1.37554810     -2.39240849      1.69369813
  H      1.49871371     -4.37643325      2.77881614
  O     -4.05517426     -3.48121841      4.33543490
  H     -2.30762032     -2.08522001      6.41443553
  H      1.99133731     -5.61892379      3.56533620
  O     -3.66887416      0.38637617      5.44747235
  H     -3.21332353     -2.40146086      7.62669532
  H     -5.57213476      2.55021863      4.06063546
  O     -1.01043748     -1.67244678     -1.81493561
  H     -5.42189031     -0.86854612      2.04098165
  H     -4.58881927      1.39962956      4.38971060
  O      1.05400136     -0.66584201      2.35692783
  H     -5.07169557      0.61608165      2.39401592
  H     -3.98703903      0.14898291     -1.24092321
  O     -2.23995182      2.56729836      2.82582191
  H     -0.83522733      1.11983052      0.04603962
  H     -4.53636073      0.66151686      0.09715535
  O      1.39436898     -4.87771956      3.61014454
  H     -1.15801834     -0.24881012      0.67186646
  H     -0.43625126     -4.53919469      3.79701653
  O     -4.96082992      1.93500049      3.66503170
  H     -0.38706111     -3.13886926     -1.19453067
  H     -1.16418603     -3.31499913      4.36993132
  O     -4.08615465      0.94795747     -0.70973916
  H      0.11191486     -4.58534833     -1.43150648
  H     -0.94990784     -1.07904599      5.00890592
  O     -1.29893913     -4.10623926      3.83164470
  H     -1.69767924     -0.33595701      3.12724344
  H      0.17054167     -2.03887361      5.46332122
  O     -0.78130124     -1.87668166      5.53040866
  H     -1.46394170      1.13414594      3.55009557
  H     -2.01386398      3.33663234     -0.59814089
  O     -2.04075646      2.57759733     -0.02201307
  H     -1.40665466     -3.95699546      0.55716600
  H     -2.79186407      2.02880460     -0.31338637
          69
 Ord_Energy   -248.278748    
 O    4.16451311       2.79908991      -1.42992330    
 H    4.28807735       3.25212193     -0.587946653    
 H    4.20653200       1.85675275      -1.21561050    
 O    4.77040720      -1.02704954       1.82942128    
 H    3.89606237      -1.44774961       1.92004168    
 H    5.41730404      -1.68349683       2.07269382    
 O   -1.50392067       2.11420345      -3.75082159    
 H   -1.08782446       2.90636396      -4.10942125    
 H   -1.77146769       2.32595634      -2.84890652    
 O    1.98231554       2.95676398      -3.04479909    
 H    1.62855399       2.05643487      -3.04955721    
 H    2.81737423       2.95213795      -2.55354524    
 O   -1.60677826     -0.272374839       2.09629011    
 H   -1.97149968      0.618350089       2.16574574    
 H   -1.27270794     -0.336956173       1.19416046    
 O    3.80886531      0.193258673     -0.499635011    
 H    4.31458092     -0.253632188      0.189575404    
 H    3.05426908      0.597441912      -4.53860015E-02
 O   0.241524056      -1.35581839       3.76446033    
 H  -0.470538318     -0.988654137       3.21107411    
 H  -0.178978607      -1.82466841       4.48015785    
 O    2.28852415      -2.12848425       1.94580317    
 H    1.83472323      -2.36163664       1.12741578    
 H    1.60223126      -1.94381535       2.59823418    
 O  -0.647140086       6.10418272      -2.95832586    
 H  -0.696711242       7.00050116      -3.28078961    
 H  -0.367154658       5.55960560      -3.71065474    
 O   -2.44653916       2.43756223       1.86442757    
 H   -3.29844785       2.85124707       1.98210001    
 H   -2.24591613       2.48378754      0.915750146    
 O  -0.265356690     -0.135722697     -0.438432783    
 H    3.03200707E-02  -1.05547810     -0.473022610    
 H   0.411022604      0.365711808       4.97506894E-02
 O    4.34375811       3.83890653       1.23820567    
 H    4.37547493       3.04741597       1.80554140    
 H    5.00730181       4.43734694       1.57142508    
 O    2.52195811      -1.45891917      -2.33668160    
 H    1.97455871     -0.845932007      -2.84327030    
 H    3.08388972     -0.907728970      -1.77203333    
 O    1.61917055       1.27784145      0.871177673    
 H    1.69832671       1.02355611       1.80035996    
 H    1.56732452       2.24139977      0.877856433    
 O   0.927950799      -2.65366530     -0.523765683    
 H   0.626502097      -3.51238394     -0.807791173    
 H    1.54480636      -2.32850718      -1.20536005    
 O   -4.85220701E-02   3.10920048       3.34624004    
 H   0.483672172       3.58324552       2.69029689    
 H  -0.890191138       2.92580509       2.91471815    
 O    1.73009717       1.04657638       3.66160774    
 H    1.08069718       1.76802969       3.68089342    
 H    1.26246786      0.229586542       3.86587405    
 O   0.278383881       4.20788383      -4.78923941    
 H   0.537483633       4.10013247      -5.70092440    
 H   0.980194747       3.80306578      -4.25019360    
 O    1.54543841       4.05689335       1.25887513    
 H    1.17209697       4.29231501      0.397892654    
 H    2.50665641       4.14060736       1.21973574    
 O   0.636672676      0.514989614      -3.06444168    
 H   0.355109394      0.246300712      -2.18087649    
 H  -0.133028373      0.951004446      -3.45863986    
 O   0.351077944       4.24375248      -1.19754529    
 H   0.966446579       3.80006671      -1.79791772    
 H   -2.97240596E-02   4.99001312      -1.68058240    
 O   -1.65439761       2.34954405     -0.799729466    
 H  -0.948143899       3.00682116     -0.894174814    
 H   -1.24060440       1.47762024     -0.758434474    
 O    4.33690929       1.63015962       2.83355570    
 H    4.61209774      0.757166684       2.53069282    
 H    3.48880434       1.48981595       3.27783489    
          69
 Energy    -248.27868324093910     
  O     -1.24888628      4.00078825      2.79918395
  H     -0.75188879      3.18132846      2.90320216
  H     -0.63980246      8.52146428      0.62596319
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  H     -2.45693442      1.19776490     -2.52182927
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  H     -1.91863697      0.91716814     -1.10902782
  O     -2.21276157      7.80708408      1.48908114
  H      2.81841009      7.24581781      1.49476370
  H      1.67943717      2.87185970      3.18687703
  O     -0.66741678      1.96718843     -0.03820057
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  H      2.75623331      3.65414482      2.44509868
  O     -1.01994879      6.59728745      3.63184541
  H      0.11468338      6.56657420     -1.96002653
  H     -3.67650341      4.89864853     -1.96406737
  O     -2.91081476      3.51492722      0.68912909
  H      2.10249696      4.34860297      0.69084638
  H     -4.39437078      3.53343519     -1.97585890
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  H     -2.34924286      2.52047382     -4.75900877
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  H      0.96148950      6.09247755      1.28445760
  H     -2.76016314      3.19199280     -3.42749874
  O      0.97554627      8.13374056     -2.23550784
  H     -0.01959077      4.91662029      1.59606037
  H      0.06939237      1.69774961      1.60341564
  O     -2.65041069      0.71752985     -1.70604395
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  H      0.22391516      0.75006966      2.81174943
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  H     -1.77695114      7.40553440      2.26122392
  H      3.43163594      3.20285923     -2.85042160
  O     -3.92522019      4.16346305     -2.53752933
  H     -0.24187234      2.36908341     -0.80647174
  H      1.98317923      3.45337250     -2.37568815
  O     -2.13723694      2.56062890     -3.83022617
  H     -1.42157043      2.53132164      0.18887760
  H      2.20689001      6.15849109      5.17380744
  O      0.30144161      1.66319357      2.54641168
  H     -0.11901287      6.58854932      3.97226830
  H      1.93874300      5.17796654      4.01326983
  O      2.90889046      3.70639743     -2.23056458
  H     -1.23014964      5.66293769      3.48359510
  H     -5.60000262      1.54145435     -0.65075268
  O      1.74375739      6.07183999      4.34454207
  H     -2.90821295      4.38032408      0.25462401
  H     -4.11905161      1.48388486     -1.10333457
  O     -4.81979127      2.07467280     -0.77342759
  H     -3.65718372      3.02005439      0.33241660
  H      3.18016350      5.67644955     -2.22221139
  O      3.41831561      6.60178257     -2.09453507
  H      0.87745139      8.48232938      0.89946045
  H      2.60789785      7.11520963     -2.19451978
          69
 Energy    -248.27865179273419     
  O     15.12144653      3.31179087    -10.80245636
  H     15.43419955      2.41641944    -10.70203870
  H     17.14075166      9.34372536    -11.83640404
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  H     15.46185510      9.49742077    -15.63717380
  H     15.18660183      8.33399022    -11.75851322
  O     15.10249049     11.37068863    -10.88818598
  H     15.22628190     10.86949702    -14.96571388
  H     13.38956531      3.92933887    -11.26409077
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  H     17.31183437      9.17770687    -14.08144545
  H     12.47834524      4.54041302    -12.36364906
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  H     17.26296667     10.64320171    -13.56225889
  H     20.16760539      7.86666380    -12.82509528
  O     12.22818214      5.15600765    -14.16438806
  H     15.64346289     10.56711386    -10.80586105
  H     19.41125804      9.03012006    -13.50756648
  O     17.36153709      6.48225083    -10.57819728
  H     15.24572709     11.87460767    -10.08991669
  H     14.70962593      6.77918671    -13.44012169
  O     12.30551339     10.70210393    -11.44785815
  H     11.53620496      8.16447821    -13.67705746
  H     13.99572335      5.74875013    -14.33886071
  O     19.20568765      6.91032932    -15.68827246
  H     10.82674768      7.67393635    -12.40828655
  H     15.57007380     11.84794514    -12.63463584
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  H     19.56802077      5.39818023    -12.92824199
  H     15.94558520     12.92818519    -13.67065996
  O     16.66949067      9.12365235    -11.01860506
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  H     16.01279743      7.31763193    -15.00200359
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  H     11.74815554      5.95365679    -13.87485652
  H     17.44850212      7.57583218    -15.54809603
  O     12.56966304      4.41771225    -11.41141760
  H     11.66192857      4.70929697    -14.78793605
  H     20.60519216      6.37854762    -10.73541180
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  H     19.10134014      6.56973569    -11.02452857
  O     14.85269812      6.15957972    -14.17442646
  H     16.73672205      6.24117546     -9.87792363
  H     11.33236814      9.35251639    -10.85007904
  O     15.94636654     11.98588687    -13.51701788
  H     12.39041036     10.42654330    -12.37328068
  H     10.04012556      8.81895016    -10.19102829
  O     16.62919873      8.00961214    -15.27874476
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  H     16.01057958      5.14456126    -13.23769549
  O     19.98386523      6.58465363    -11.42971417
  H     19.62721779      7.47031209    -15.01100865
  H     17.48454861      4.65321508    -13.03805124
  O     10.84395689      8.54193244    -10.62270157
  H     19.77628813      6.92295874    -16.45226611
  H     15.21012212      4.74388741     -9.46304438
  O     16.61271499      4.70718588    -12.62078193
  H     13.39426024      8.92306880    -13.25498705
  H     14.48759193      6.08029090     -9.23380058
  O     15.30385240      5.60276388     -9.03228583
  H     13.41333076      9.73486502    -14.57479944
  H     12.18120606      7.34460049    -10.12780403
  O     12.95748854      6.77324302    -10.09667308
  H     16.96250069      8.24258789    -10.75041761
  H     12.71876293      5.93140079    -10.51927132
          69
 Energy    -248.27864167124363     
  O     11.80832320     12.79693600    -11.88817590
  H     12.11881147     12.23224053    -11.15798217
  H     18.17490995     14.23283959    -15.87253858
  O     20.94239577      7.48496489    -12.07213254
  H     11.15039710     13.38291705    -11.52442761
  H     12.78848870     10.92412829    -15.02451116
  O     18.12422785     10.83425528    -12.12116444
  H     21.86487700      7.35041663    -11.87472924
  H     14.15387018     10.28867950    -15.33227613
  O     13.08008910      8.97430095    -11.93732939
  H     20.90890709      7.87129079    -12.96395763
  H     14.96489330     11.46416083    -12.80887888
  O     16.64052105      6.98923041    -13.29611130
  H     17.18777473     10.77346971    -12.35679076
  H     15.42188282     10.07432335    -13.36069764
  O     14.58214819      6.63138904    -11.37697387
  H     18.17317606     11.54156682    -11.46660024
  H     16.99252183      8.11963999    -10.22232664
  O     14.14029233     12.94464371    -13.42219418
  H     13.83583348      9.53411632    -12.15864012
  H     15.97291094      9.08716835     -9.57695106
  O     17.57823720      9.60724111    -16.41802732
  H     13.44597707      8.09660893    -11.77775212
  H     19.85449608      7.99935563    -14.94755803
  O     18.36390421      8.15051556    -11.47259496
  H     17.28642425      7.37641568    -12.68440021
  H     20.24387017      9.46456135    -14.65815756
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  H     15.90152066      6.69813808    -12.74840483
  H     15.73992793     13.75505045    -12.99032818
  O     18.30993222      6.99669318    -15.54705491
  H     14.28080786      5.85050336    -10.91997455
  H     17.15103576     13.84808415    -13.59407501
  O     17.89182696     13.50743751    -15.32123444
  H     15.10146549      7.15095086    -10.73451990
  H     18.03936391     13.66078733     -9.92176460
  O     13.63076526     11.08879499    -15.47548289
  H     13.32354796     13.01457117    -12.90989432
  H     17.23973844     13.40055798    -11.22143654
  O     15.36242837     10.61746981    -12.56097681
  H     13.93743474     12.44352953    -14.22444981
  H     12.72346129     10.22273178    -10.52927302
  O     16.13368915      8.15810087     -9.77785647
  H     17.86226106      8.68746325    -16.35337131
  H     13.68946366     11.11821700     -9.73270008
  O     20.54735459      8.55307721    -14.56784462
  H     18.17538310     10.11552505    -15.84773166
  H     18.89662567     10.97284750    -13.75102375
  O     16.66147457     13.94578289    -12.76888685
  H     19.27522382      7.83869501    -11.56490117
  H     18.90827878     11.96284923    -14.92971462
  O     17.57707605     12.98313833    -10.40699814
  H     18.37256903      9.09976002    -11.65676298
  H     11.91462656      9.88559460    -13.17835693
  O     12.77787063     11.05703237    -10.04419450
  H     15.15354255     11.80067413    -16.41718839
  H     11.45004595     11.34754161    -13.16192118
  O     19.17990727     11.07337860    -14.67146547
  H     16.51054231     11.17994194    -16.82891357
  H     15.48871599     10.78157609    -10.72994082
  O     11.55083602     10.58229640    -13.74033672
  H     18.40468761      6.13418327    -15.94498402
  H     16.25080038     11.69412794     -9.76706878
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  H     17.73420793      6.88266349    -14.77448660
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  H     17.18879349     13.04478376    -15.81157687
  H     15.74553441      8.25269377    -14.29088713
          69
 Energy    -248.27850874038899     
  O      2.12623575      4.28622205      3.66927518
  H      2.34728457      3.54352889      3.09265312
  H     -0.15857621      8.12895706     -0.71886277
  O     -1.14344273      7.82226868      5.18080663
  H      2.58278840      5.04235576      3.28091887
  H      0.39110819      5.91338236     -1.13013439
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  H     -1.49692545      7.94824403      6.05742756
  H      1.39933782      5.52097554     -2.23285357
  O     -2.56925876      6.56334450      3.05367042
  H     -0.33495894      7.28594731      5.28072421
  H      2.06668424      9.54896053     -3.98971011
  O      3.38861801      4.77479019      0.07301280
  H     -0.42893371      9.10165415      4.04794799
  H      2.11265955      8.13701959     -3.36681277
  O      3.35646843      7.96174390      4.61243941
  H     -0.48680547      9.90888849      2.68649575
  H     -0.59992334     10.18531333      0.45536591
  O      4.46535255      8.84404709     -1.48524883
  H     -2.18348588      7.01520850      3.81451175
  H     -1.92560385      9.56298844      0.96684778
  O      3.20753464      6.57857407      2.14144095
  H     -2.04318768      5.76022225      2.94428748
  H      4.36173534      5.62389369     -1.32875634
  O     -0.47116537      4.74898518      2.61831951
  H      3.28730592      3.92604163      0.52007211
  H      4.68011754      7.05916824     -1.83738988
  O      2.37482593      6.34243749     -3.65833136
  H      2.55766836      4.93970732     -0.39752356
  H      1.24109976      9.53867445     -1.55085954
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  H      3.22939714      8.87662181      4.33661582
  H      1.63435253      9.47495293     -0.05494999
  O     -0.61530812      7.28366316     -0.59255248
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  H      3.75003738      9.07383713     -2.08856713
  H      1.93908805      7.01839946      5.25949932
  O      2.07471595      9.08331415     -3.15632989
  H      4.14184979      9.07299937     -0.60439882
  H      2.69537914     11.37936436      3.79298439
  O     -1.27430412     10.25352867      1.14346940
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  H      1.71292346     10.22602012      3.47059162
  O      4.55703775      6.14026806     -2.12014294
  H      3.41150131      5.97494119      1.41414821
  H      0.18427821      7.28416590      1.05108702
  O      0.88391615      9.59078842     -0.65504882
  H     -0.18556161      5.64415869      2.37787752
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  O      1.17110538      6.44523204      5.40557138
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  H      1.73421410      2.60390506      1.10619631
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  H      2.79481471      1.53044543      1.45751128
  O      0.58938910      7.20687632      1.92334002
  H      2.47135815      5.86025204     -4.47518565
  H      3.08777097      9.77191265      1.77958979
  O      2.60157833      2.46121132      1.52800623
  H      0.40611567      3.77387099     -0.33703376
  H      3.28070289      8.31146053      1.32461373
  O      3.15431179      9.21047074      0.99662692
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  H     -2.85836232      7.46345676      1.59095771
  O     -2.95819658      7.96071117      0.75937853
  H     -1.50009385      7.46726050     -0.25113739
  H     -3.88536232      7.94048312      0.53801146
          69
 Energy    -248.27846996002205     
  O     -5.45422162      2.84237075     -0.72261855
  H     -4.52698341      2.98271250     -0.48087742
  H     -6.18496843     -0.17305762      3.47168360
  O     -4.84325358      2.55753340     -3.40084763
  H     -5.96542339      3.15693824      0.03426762
  H     -0.83319751      0.42992119      6.02269823
  O     -6.56436191      3.59184184      1.73902416
  H     -5.17048152      2.69854042     -2.49677844
  H     -1.14688914     -0.18595781      4.63598587
  O     -3.68126519     -2.25416218      2.75208058
  H     -5.34256593      3.14107476     -3.96690676
  H     -0.50417356      1.82781860      3.83345383
  O     -4.24529630     -1.32172366      0.14729578
  H     -7.17785961      4.25942786      2.03386187
  H     -0.09575878      1.58335637      2.37332663
  O     -4.81634835     -0.30008528     -3.76734486
  H     -5.74112792      3.72498715      2.24398961
  H     -2.86255742      2.25989615      0.47631335
  O     -6.50066102      0.19899967     -0.38597629
  H     -4.38368004     -1.81394439      3.24466993
  H     -2.36514918      3.71502786      0.59732960
  O     -2.58587732     -0.60591803     -1.99510001
  H     -3.89386198     -2.11909644      1.81928840
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  O     -2.19235146      2.16317729     -2.50977847
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  H     -4.04686233     -0.57388427     -3.25363174
  H     -4.34379982      0.60079025      4.23341659
  O     -1.21109212      0.62808892      5.17106641
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  H     -6.89682620     -0.15162389     -1.19651370
  H     -6.90259133      1.74567860      2.21092999
  O     -2.77172184      3.09348700     -0.01595213
  H     -1.69079861     -0.91743356     -1.81589518
  H     -6.93095223      0.46157766      1.37268874
  O     -0.33108719      0.07568419      1.26461569
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  H     -3.48954017      0.05821508      1.04820451
  O     -7.31798914     -0.83871256     -2.78435452
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  H     -3.24196847      0.94415175      2.31717238
  O     -3.68751266      1.29225216      4.07733186
  H     -3.00351721      2.36848536     -2.98871589
  H     -1.12277840      3.69112562      2.47974266
  O     -6.98332212      0.78817960      2.28175160
  H     -0.72706338     -1.10250083      2.71374135
  H     -1.12404034      5.22962698      2.33622012
  O     -3.00190681      0.81761423      1.39097707
  H     -1.98670300     -1.82427076      3.26165065
  H     -4.10660351      2.97978693      3.56808023
  O     -1.64054021      4.44964866      2.15371720
  H      0.36316466     -0.12840989     -1.90234007
  H     -3.41478958      4.14736300      2.84102384
  O     -4.27413207      3.83330794      3.14226495
  H      0.80186089     -1.58515961     -1.61225348
  H      1.00627010      2.10582161     -3.04233334
  O      0.43617890      1.37185438     -2.82846228
  H     -6.28548824     -1.02687397      4.75792676
  H     -0.46722121      1.72719149     -2.80855420
          69
 Energy    -248.27795175401275     
  O     10.04699337     12.08037492    -10.12982702
  H     10.45608708     12.95910585    -10.13325046
  H     15.26416206     10.20739708    -10.82796980
  O     12.72148923      7.70064768    -16.28447328
  H     10.03251453     11.77759405    -11.04526139
  H     14.84721970      7.63750687    -12.53303275
  O     14.04190148      8.49273768    -13.93749699
  H     12.70342169      6.95938646    -16.88287398
  H     15.66904074      8.13478444    -11.33749629
  O     13.10562208     13.59607410     -7.65130089
  H     11.87491984      7.69771681    -15.80166403
  H     14.36075655     14.69662535    -11.75634077
  O     12.64138815     10.56487604    -16.40368694
  H     14.31026213      9.40424926    -14.11777226
  H     13.58949503     15.87607702    -12.39525269
  O     11.74017862      8.64782831    -12.33074094
  H     13.70567320      8.12571644    -14.76409023
  H     13.75032073      7.20500575    -10.65510650
  O     13.74848254      9.01059194     -8.05592611
  H     13.26440876     14.02829778     -6.81598881
  H     12.68594628      6.33111330     -9.94918280
  O     13.77713654     11.16389229    -10.66946576
  H     13.97233301     13.34139054     -8.00758623
  H     17.84569972     11.56284653    -13.00293904
  O     11.97951976     11.10342450     -8.50521838
  H     12.74985611      9.61261919    -16.52302671
  H     16.75141152     10.97357882    -12.08518117
  O     15.88773862     13.93666922    -11.33117933
  H     13.39723709     10.85476219    -15.87847554
  H     10.19534139     11.03298784    -13.67467431
  O     12.83676628     12.47863194    -12.93232275
  H     11.97671481      8.21384434    -11.50388526
  H     10.87271186     10.24420727    -12.52261196
  O     16.17349209      9.86406682    -10.80275611
  H     12.54581691      8.65344679    -12.86789831
  H     14.79411221     12.17986041     -9.57429476
  O     15.16927072      7.37359309    -11.65916701
  H     13.47964169      8.35809270     -8.71363159
  H     15.79416790     11.85835427     -8.45471693
  O     13.47232983     15.02594751    -11.97960288
  H     13.05954236      9.69001788     -8.07269855
  H     15.50496248     11.34611181    -14.02757210
  O     12.92748321      7.23544588    -10.13438151
  H     13.07265437     11.05666260    -10.01754757
  H     13.99569488     11.66161576    -13.95757093
  O     16.92357386     11.64209358    -12.76948848
  H     13.41990499     11.62975216    -11.43446327
  H     10.97886935     10.75352065    -15.84519583
  O     10.47008834     11.09572220    -12.75162458
  H     11.18880967     11.33599507     -9.01778822
  H      9.51521382     11.14627278    -16.15826541
  O     15.35220111     12.59396585     -8.89533500
  H     12.27135708     11.91437666     -8.07257000
  H     15.35401593      9.65613053     -7.96583970
  O     14.66090052     11.15439899    -14.45057126
  H     16.26191724     13.22937590    -11.86955143
  H     16.73690869      9.67022594     -7.27128414
  O     10.06702031     10.72506732    -15.50480268
  H     15.88276238     13.60700016    -10.42342418
  H     12.06139946     14.26197857     -9.13420164
  O     16.24184442     10.06097296     -7.98544333
  H     11.92720365     12.15561525    -12.87217787
  H     12.19489063     14.71640920    -10.59904036
  O     11.55484963     14.42821075     -9.93828871
  H     12.87857624     13.40748696    -12.67660615
  H     10.75971865      8.06635927    -13.87260116
  O     10.47035274      7.97933165    -14.79050721
  H     16.41737109      9.86087028     -9.86972735
  H     10.15743556      8.85551073    -15.04982298
          69
 Energy    -248.27789786740556     
  O     12.16622222      8.55714755    -15.27560442
  H     12.73363973      9.24522490    -15.63722204
  H     15.26832833      4.21045830    -13.42135037
  O     16.30238165      6.75739017    -11.91950039
  H     12.61320477      7.71909307    -15.46407994
  H     19.23730819      9.56044200    -14.56689713
  O     17.05569523     11.04584958    -12.59612368
  H     16.01023220      7.17815213    -12.74315394
  H     19.10118469      8.08728049    -14.98077883
  O     16.64219470      9.48373509    -16.29814255
  H     15.61018432      6.93690265    -11.26929050
  H     14.96189557     10.15245264    -16.34694648
  O     13.34740672      4.26495464    -13.57036580
  H     16.91327788     11.52742457    -11.76760870
  H     13.92366153     11.13348332    -16.93447250
  O     14.04755582     11.20045620     -9.12949719
  H     17.41526339     10.18171636    -12.35028948
  H     15.95464248      8.50051326    -14.81897006
  O     14.23114665      7.54782032    -10.24301214
  H     17.20064317      8.73648861    -16.55244668
  H     14.91933974      8.91370242    -13.75915136
  O     14.42595587     10.70224859    -13.38297767
  H     17.22943601     10.15452556    -15.92291310
  H     11.44477532      8.48070284    -13.68786701
  O     16.48278202      5.42482182    -15.96931231
  H     13.00336896      4.86668463    -12.88599701
  H     10.12998914      8.42479567    -12.87723663
  O     15.56790799      8.90448492     -8.26322986
  H     12.81783303      3.47324044    -13.53106665
  H     18.28015224      9.30515415    -10.09420741
  O     18.31424342      7.28117081    -16.55479711
  H     13.39462385     11.69052144     -8.63549079
  H     18.98653073      9.59137970     -8.75157635
  O     16.22073254      4.36812621    -13.42759168
  H     13.57409772     10.76107503     -9.85467203
  H     11.90070302      6.79703781    -12.11865293
  O     19.40180330      8.65982566    -14.26465904
  H     13.80812451      8.32856229    -10.62383938
  H     13.02973747      6.43296885    -11.13167188
  O     14.09749526     10.56630370    -16.18718527
  H     14.69654480      7.85997000     -9.45397110
  H     18.80681929     12.09540761    -15.09404923
  O     15.40277907      8.15479690    -14.10748293
  H     15.34729218     10.90852933    -13.16740508
  H     17.90721008     11.30856132    -14.11068072
  O     11.07926843      8.39790596    -12.78908627
  H     14.28538287     10.84925833    -14.32585317
  H     18.78614291      8.57644480    -12.56898858
  O     18.16114041      9.70486356     -9.21631770
  H     15.55289939      5.64918934    -16.08137428
  H     17.63757394      7.92266291    -11.74327741
  O     12.41670776      6.05749338    -11.77750628
  H     16.53069729      4.98153244    -15.10882325
  H     17.20226042     11.29862824     -9.66502666
  O     18.34633722     11.26861971    -14.97830361
  H     16.47717036      9.11232866     -8.51073289
  H     15.74979998     11.81187792     -9.74280078
  O     18.26606610      8.65931410    -11.75716650
  H     15.06551327      9.71696558     -8.40338704
  H     12.18458410      9.40678301    -11.68336058
  O     16.64102796     11.96832998    -10.07854968
  H     17.68215677      6.56975589    -16.34173276
  H     13.44846540     10.23264714    -12.00495134
  O     12.93540097      9.85429723    -11.27414613
  H     18.89645462      6.93479460    -17.22541045
  H     14.35902808      6.89196629    -14.94069551
  O     13.79491664      6.30297887    -15.46565826
  H     16.36558273      5.08020254    -12.79089410
  H     13.57912868      5.55418519    -14.89365867
          69
 Ord_Energy   -248.277863    
 O   -2.68079066     -0.494313955       6.86909437    
 H   -1.83640313     -0.536669314       6.40622997    
 H   -3.00205612      -1.40571058       6.89397573    
 O   -6.04591084      -4.48150682       1.09818852    
 H   -5.74829578      -5.06864977      0.392314821    
 H   -5.49163914      -4.67050934       1.87278616    
 O   -3.69534039       1.67105150       3.18138433    
 H   -3.59012985       2.61771989       3.17155671    
 H   -4.07127905       1.43629920       4.05191851    
 O   -4.44041061      -4.80947924       3.25228357    
 H   -4.65224123      -5.10824633       4.14471531    
 H   -3.49269485      -4.91643715       3.08997679    
 O   -7.99374485     -0.681907058       3.03259063    
 H   -8.14959335      -1.59626710       2.76679754    
 H   -7.19971943     -0.400172889       2.55702281    
 O  -0.345348030     -0.969850183       5.21431017    
 H  -0.521031976      -1.92817044       5.16625977    
 H   0.565112293     -0.868710637       5.47704315    
 O   -1.15706885      -3.79204321      -1.19681227    
 H   -1.36093283      -3.22987819     -0.429691017    
 H  -0.295129836      -3.52942634      -1.50904489    
 O   -2.13823056      -6.12948227      0.185134664    
 H   -3.04822206      -6.19641685     -0.125493884    
 H   -1.72312486      -5.46167517     -0.375902504    
 O   -4.69088125      0.878540754       5.53448391    
 H   -4.00527525      0.456227064       6.07301044    
 H   -5.47363091      0.319416404       5.58710098    
 O   -1.10802197      -3.54884362       5.03251553    
 H   -1.95227325      -3.52114391       5.50281572    
 H   -1.24971521      -4.05416155       4.22315359    
 O   -7.13328838     -0.678386331       5.62010765    
 H   -7.48809385     -0.601575613       4.71666861    
 H   -7.77551603     -0.274130464       6.19957972    
 O   -8.20525646      -3.48975563       2.49033284    
 H   -9.01049900      -3.91277051       2.20071769    
 H   -7.49168205      -3.84873962       1.93862748    
 O   -4.29527044      -2.04525828       3.73502135    
 H   -4.31538010      -2.97542787       3.47432852    
 H   -3.43014169      -1.67322636       3.51327610    
 O   -1.79868281      -4.71672773       2.52555752    
 H   -1.84171700      -3.86759639       2.06337619    
 H   -1.82758319      -5.38279390       1.82308948    
 O   -1.98575664     -0.555639207       3.00639820    
 H   -2.47002125      0.279104322       3.04919624    
 H   -1.37018156     -0.589366376       3.75027895    
 O   -7.25234318      -3.51061773       5.21006012    
 H   -7.60918999      -3.53647900       4.31455469    
 H   -7.14627409      -2.57727528       5.43261909    
 O   -3.87022614      -3.66811109      -2.06563997    
 H   -2.91166401      -3.67871690      -1.94928074    
 H   -4.20429420      -2.99758220      -1.45386457    
 O   -3.62440085      -3.07208252       6.25386429    
 H   -3.95485044      -2.59888577       5.47516584    
 H   -4.17016411      -3.86210799       6.33314228    
 O   -2.06224012      -2.37968397      0.975194335    
 H   -2.98781800      -2.31197000      0.699499071    
 H   -1.90398765      -1.66559339       1.60753477    
 O   -4.82933855      -5.95460224     -0.954328001    
 H   -5.12131786      -6.58819103      -1.60456657    
 H   -4.51688480      -5.17273760      -1.44458318    
 O   -4.72744799      -2.16963029      0.167714566    
 H   -5.02707720      -1.39324439      0.658625782    
 H   -5.24019384      -2.92273235      0.491503686    
 O   -5.34215879      -5.27524948       5.87294674    
 H   -6.08690834      -4.67245865       5.68539333    
 H   -5.68485641      -5.98795033       6.40401411    
 O   -5.44023943     -0.224096403       2.01838565    
 H   -5.16759586     -0.889090300       2.67253804    
 H   -4.93398285      0.566674411       2.23633814    
          69
 Energy    -248.27774661748037     
  O     12.05915853     10.09041665    -14.20867616
  H     12.82642625     10.57290862    -13.88867288
  H     19.09715111      9.47425799    -15.05548133
  O     16.52521429      6.53284727    -13.41981517
  H     12.36870514      9.55299205    -14.95488595
  H     16.82200958     10.76824287    -16.74240078
  O     17.03037685     10.51055849    -11.38590985
  H     15.90814195      6.46992861    -12.67797608
  H     15.96271346     11.90822179    -16.18737239
  O     15.96905735     12.82236231    -14.43279990
  H     17.28724294      7.03436943    -13.09729165
  H     14.66910002      8.63432261    -15.09179283
  O     13.08230463      5.63542959    -15.64665180
  H     16.91645234     10.36236889    -10.43880112
  H     15.73245718      7.98328810    -14.14254385
  O     14.09696081      9.45696743     -8.35289590
  H     16.16003435     10.64435298    -11.77881611
  H     10.18605324      8.44796629    -12.23239593
  O     14.81830213      6.75694145    -11.22366629
  H     15.96636391     13.77458131    -14.48972778
  H     11.37189750      8.99942902    -13.06334863
  O     14.65258226     10.86153604    -12.94766615
  H     16.85963080     12.56249224    -14.13517931
  H     17.81023024      7.43065501    -10.64243850
  O     16.92192586      7.30284226    -17.93816862
  H     12.95371505      5.74200814    -14.68676505
  H     17.14193068      8.03768068     -9.39685653
  O     17.70539292      9.20430269    -16.06172635
  H     12.49002796      4.94319331    -15.92792396
  H     12.10310311      6.79489612    -12.79023785
  O     15.90076003      5.69237191    -16.02238143
  H     13.77722130      9.40748028     -9.26843498
  H     13.42321066      6.13178467    -12.34726668
  O     19.78910136      9.65085519    -14.39296825
  H     13.54575358      8.86443289     -7.84727271
  H     17.99617670     11.53542378    -12.59922616
  O     16.11186671     11.37922432    -16.97788765
  H     15.60920424      6.80400517    -10.66601790
  H     18.92591250     11.26941104    -13.79130288
  O     15.42217418      8.81896471    -14.51436352
  H     14.38404938      7.61581379    -11.14612119
  H     17.90632036      9.01756628    -12.00730594
  O     11.12823466      8.37430925    -12.35570154
  H     14.98023988     11.65092082    -13.39814683
  H     19.03643985      8.62228570    -12.97192987
  O     17.21020572      7.22648161     -9.91431620
  H     14.93940069     10.10460788    -13.48884321
  H     17.17579148     10.18535798     -7.91259703
  O     12.71535477      6.07954747    -13.00138480
  H     17.28624942      6.77336806    -18.64186274
  H     15.82152229      9.70584682     -8.48932529
  O     18.32807519     11.92739378    -13.41907535
  H     16.55826817      6.68329579    -17.27928578
  H     15.13765107     10.04340527    -17.83636086
  O     18.42061799      8.26043083    -12.32429770
  H     16.91475041      9.14355985    -15.50455623
  H     15.47233559      8.57886439    -18.20722002
  O     16.76854109      9.80632760     -8.68717301
  H     17.58265168      8.55819532    -16.76915936
  H     13.78488778      9.87536405    -11.63715839
  O     14.74712352      9.21049881    -18.13953251
  H     14.94440981      5.58756638    -15.94905889
  H     12.56871549      8.94816139    -11.36953054
  O     13.41836801      9.23760709    -11.01121767
  H     16.21919253      5.84472365    -15.12247987
  H     13.62004624      8.67872799    -16.91136276
  O     13.16520225      8.41807785    -16.09457224
  H     20.62661990      9.59548409    -14.84512961
  H     13.06550875      7.45928703    -16.08159239
          69
 Energy    -248.27771153620262     
  O      1.58074861     -0.71519058      2.29672017
  H      2.51426220     -0.91566496      2.28813549
  H     -3.25357123      0.04327541      3.59779405
  O     -2.19971878     -0.30701451     -3.29425770
  H      1.22590087     -1.02835254      1.44913003
  H     -2.95485622      3.15306166      0.16571422
  O      0.08632142     -1.72235077      4.62175297
  H     -1.57872336      0.13483622     -2.68997528
  H     -3.23942072      4.64275386     -0.13648412
  O     -4.40044155     -0.60515535     -1.48620324
  H     -2.00155861      0.01195597     -4.17111664
  H     -2.33165748      0.19952916      5.40142048
  O     -1.29530924     -2.73594502     -2.01966722
  H      0.59335269     -1.38591493      3.87713973
  H     -1.23489736      1.27238630      5.43454593
  O      0.25424180     -1.59713343     -0.00176232
  H     -0.37164755     -0.96968372      5.02782838
  H     -0.84369988      3.58869413      0.13365026
  O     -3.21167398      3.41246591      3.15631441
  H     -4.13259052     -1.43816954     -1.06809133
  H      0.10728638      2.64834452      0.89082223
  O     -4.34204238     -2.75672790      3.99496779
  H     -3.81535388     -0.49543645     -2.24585470
  H     -2.16623847      1.24419254     -0.58208121
  O      0.14260965      1.69499243      2.43679760
  H     -2.07861733     -3.00882326     -1.52655585
  H     -3.64332176      0.79617661     -0.63573118
  O     -0.57788213      0.76322730     -1.33919740
  H     -1.59728781     -2.02712517     -2.59992343
  H     -2.66285162      0.62840655      1.38436193
  O     -5.56112470      1.73986427      2.89341495
  H     -0.37978178     -1.90438598      0.66602437
  H     -1.41628024      0.73564073      2.29263387
  O     -3.88078135     -0.02035169      4.33614386
  H     -0.03774611     -2.04499007     -0.80825409
  H     -4.38801998     -3.11763034      0.30713599
  O     -2.74153962      4.06390307      0.43550904
  H     -3.99730695      2.85769190      3.08593724
  H     -2.89680531     -2.79903063      0.43245559
  O     -1.41034279      0.34923528      5.65082534
  H     -3.03741674      3.74256695      2.26591920
  H     -1.80610803      3.14386015      4.15430592
  O     -0.04582675      3.05911732      0.02663935
  H     -4.24779902     -1.82139679      4.22254351
  H     -0.79649008      3.76382046      5.14982082
  O     -3.04743085      1.43825596     -0.23045527
  H     -3.47877802     -3.15652853      4.15227869
  H     -1.32412580     -4.53828393      4.50752671
  O     -2.22244522      0.22562244      2.14274471
  H     -0.05093594      2.11013642      3.28742363
  H     -1.01082530     -3.02466517      4.42517242
  O     -3.59716612     -2.95089033     -0.22041476
  H      0.74986569      0.95482945      2.55702080
  H     -1.68086814     -2.93905719      2.50585800
  O     -0.98213342      2.97555731      4.64695630
  H     -0.24036579      1.59102975     -0.96418919
  H     -1.93397489     -1.50435634      1.93844879
  O     -1.66067048     -3.70925801      4.17960578
  H     -0.22285232      0.02607859     -0.82563074
  H     -6.45951298     -3.54300845      1.82014087
  O     -1.70356385     -2.41501649      1.69768442
  H     -6.43389213      2.09604807      3.04060217
  H     -5.21798014     -2.93998107      2.51670262
  O     -5.70709329     -2.97582310      1.67463450
  H     -5.65264247      1.07779432      2.18614258
  H     -5.55308841     -0.24955674      0.06544550
  O     -5.83919408     -0.21246911      0.98464314
  H     -4.59752309      0.57394752      4.09007192
  H     -5.85644853     -1.13157974      1.28141653
          69
 Ord_Energy   -248.277649    
 O    5.93958044       2.51820421       2.99273181    
 H    6.41898012       3.35956883       3.05254412    
 H    6.57450151       1.86258078       2.67954540    
 O    7.10242939       5.38667774      0.331894040    
 H    7.25446939       6.31837988      0.124864846    
 H    6.62966871       5.00756264     -0.425257325    
 O   0.723540843       5.02294207       1.72268867    
 H   0.907185674       5.74616480       2.33053398    
 H    1.11348259       4.22788715       2.11526632    
 O    5.69833136       4.37433577      -1.83477175    
 H    6.11247492       3.55027986      -2.11570764    
 H    4.81485033       4.15599728      -1.50226498    
 O    5.26993132       7.17916918      -2.08069754    
 H    4.32341194       7.31367826      -1.92501807    
 H    5.39845037       6.23087788      -2.19963837    
 O   0.879407227       5.21586466     -0.957902014    
 H    2.92821992E-02   5.03314924      -1.34773028    
 H   0.761639833       5.16930771       9.39774979E-03
 O    3.15041256       8.01223469       1.33326721    
 H    3.56485271       7.14211512       1.22120523    
 H    2.50419354       7.89838982       2.03979254    
 O    2.60806584       7.48464441      -1.38672900    
 H    2.67642045       7.84863186     -0.494512469    
 H    1.97796822       6.75756264      -1.32382381    
 O    7.11297321       1.97850358      -2.24335027    
 H    7.65786314       1.69748712      -2.97394347    
 H    7.71627283       2.27980733      -1.53991008    
 O    7.28930330       4.87399960       3.06160140    
 H    7.04188538       5.68209314       3.52616215    
 H    7.38278246       5.11011219       2.12925196    
 O    6.25894260       7.21373463       4.29250813    
 H    6.11232615       7.77052593       3.50533724    
 H    6.68356514       7.76368475       4.94493628    
 O    7.12044191       8.08507347     -0.376617819    
 H    7.73962116       8.64706802     -0.833861411    
 H    6.42971468       7.84214401      -1.02280486    
 O    3.98490691       1.76451290       1.03203833    
 H    4.63150358       2.13778138       1.64666724    
 H    3.73288536       2.46340704      0.410123795    
 O    2.00738788       2.81029415       2.82358313    
 H    2.55328441       2.86201429       3.61473393    
 H    2.53217077       2.30815172       2.18762851    
 O    4.37577248       5.49851513       1.39357996    
 H    4.24248743       5.44589329       2.34800649    
 H    5.32329321       5.50849533       1.22223389    
 O    8.55624485       2.88681912     -0.116618581    
 H    8.38401222       2.28114343      0.615555108    
 H    8.23174477       3.75283337      0.152481467    
 O    5.78374815       8.64199257       2.06401849    
 H    4.84883833       8.60667133       1.81996953    
 H    6.27851725       8.54802036       1.24121475    
 O    5.98543739      0.254498720     -0.230045304    
 H    6.23701620      0.758713543      -1.01289773    
 H    5.18038797      0.663950145      0.117866859    
 O    3.30958247       3.91600466     -0.565165102    
 H    2.44747424       4.24470234     -0.844793022    
 H    3.59792376       4.49681711      0.157849461    
 O    1.59294498       7.09649992       3.51940870    
 H    2.37361217       6.61461687       3.84167266    
 H    1.13453698       7.42630291       4.28791523    
 O    4.05441093       3.04190564       4.88357592    
 H    4.12194824       2.46966124       5.64323521    
 H    4.74461317       2.76193452       4.25705338    
 O    3.88928580       5.73351717       4.18407917    
 H    4.70675087       6.21887922       4.35855007    
 H    3.96785212       4.84200287       4.54741526    
 O    7.76180458      0.824064970       1.72532570    
 H    8.29884911       7.71607831E-02   1.97470939    
 H    7.15320587      0.516856492       1.02819812    
          69
 Energy    -248.27763975622264     
  O     13.82178236      9.35547735    -10.93999588
  H     13.67544696      9.85598729    -11.75373176
  H     17.71507960      3.29036948    -11.50364455
  O     14.05398544      9.99963921    -16.90407047
  H     13.13014439      8.68224459    -10.86836192
  H     12.23838087      6.71799343    -11.62137667
  O     16.52802014     11.25138413    -13.13854517
  H     13.64280674     10.77592268    -16.50326241
  H     12.62922328      6.65129865    -10.12974862
  O     12.86267968      5.80391495    -13.21806098
  H     13.82113418      9.25274484    -16.33889449
  H     19.37701667      8.14484263    -12.69063822
  O     16.02290954      7.02542133     -7.99316408
  H     15.61222121     10.94154157    -13.15530002
  H     19.24013454      8.58669126    -14.15633066
  O     15.93466098     12.86407574    -15.39361848
  H     16.82976286     11.24561078    -12.22261567
  H     14.19770275     12.64472467    -15.43332482
  O     15.89628516      7.72324318    -11.92015872
  H     13.64251168      5.49556911    -12.72999445
  H     12.72609952     13.10811456    -15.57571976
  O     13.82939269     10.44547650    -13.44000069
  H     12.46341264      5.02908389    -13.60817160
  H     13.25483314      7.32964997    -14.36511008
  O     18.42992258      8.49284301    -11.09532515
  H     16.78370372      6.72444397     -8.52318382
  H     14.62072476      7.80945702    -14.89414081
  O     17.49316319     11.10141766    -10.47307739
  H     16.32526054      7.07622933     -7.08948346
  H     16.85818196     10.81316650    -18.19614499
  O     18.14297718      5.62587438    -13.99450145
  H     16.28202855     12.29924662    -16.09585988
  H     15.73369020     10.45916456    -17.19510640
  O     17.62467687      4.24044288    -11.48505099
  H     16.24936648     12.47623962    -14.56585075
  H     13.49894502      5.10457795     -8.30539554
  O     12.15364638      7.18287317    -10.78006040
  H     15.98768179      7.75280104    -12.88312471
  H     14.57671078      6.16309342     -8.62692396
  O     19.65075098      7.92117805    -13.59023144
  H     15.19391252      8.32235190    -11.63769750
  H     14.59875122      5.18602191    -10.65250045
  O     13.27159934     12.34129548    -15.42643380
  H     13.74511378      9.61190047    -13.92537734
  H     15.38273287      6.07473677    -11.64968723
  O     13.67823815      8.04405347    -14.85151616
  H     13.51412265     11.14350330    -14.02626357
  H     18.40554394      7.02156828     -9.98783020
  O     16.63730964     10.81394520    -17.26861918
  H     17.55326924      8.19250902    -11.38349349
  H     18.06921046      5.51944136    -10.12855292
  O     13.85021669      5.64425878     -9.00966832
  H     18.31564631      9.41746674    -10.85042489
  H     16.88297149      8.26953122    -14.85102880
  O     15.01361191      5.18347536    -11.52447063
  H     16.85460862     10.66385263     -9.88142132
  H     16.89064939      6.74883516    -14.51170757
  O     18.11577528      6.24225616     -9.49229154
  H     17.87222717     11.82602938     -9.98272348
  H     14.94039526      9.69442522     -9.58157963
  O     16.31307930      7.51490884    -14.65086144
  H     18.79607469      6.33298220    -13.86824924
  H     15.82221397      8.86793303     -8.62515315
  O     15.68981805      9.75682031     -8.96946052
  H     18.09875921      5.14027319    -13.16562041
  H     17.62105585     10.09239746    -15.85164675
  O     17.92526270      9.73421292    -15.00850657
  H     16.67463181      4.43321739    -11.53707303
  H     17.52630292     10.28144102    -14.31618562
          69
 Energy    -248.27755962715881     
  O     14.73760404      3.15423976    -10.33045617
  H     13.90959281      3.61418012    -10.53337653
  H     15.83199348      5.94904197    -15.16711754
  O     12.37998279      4.48049306    -11.00465282
  H     14.56869870      2.21276944    -10.45686187
  H     15.25329243      8.66235383     -8.30285158
  O     16.33455734      3.49037946    -12.61814815
  H     12.56478473      5.06564353    -11.75128749
  H     15.97859520      9.96190803     -7.87834176
  O     17.37364499      7.43331211    -12.72910464
  H     12.11306681      5.04776238    -10.27081494
  H     15.32834976      6.44284721    -10.49614785
  O     11.73614756      8.05862995    -11.25955435
  H     15.81982280      3.42151694    -11.80408117
  H     14.74484736      7.80912131    -11.01570527
  O     12.09318418      2.10031459    -12.51652551
  H     17.16301120      3.94255351    -12.40323807
  H     13.38581560      7.04415902     -8.24291816
  O     14.11142254      0.54469547    -11.19127310
  H     16.54745438      7.25094584    -12.25422982
  H     14.83353481      6.52839895     -8.17102783
  O     18.07367058      8.26222619    -10.05694853
  H     17.16204560      7.32876718    -13.66256438
  H     12.65469893      1.93523104    -15.64461675
  O     13.17434048      6.24913238    -13.06703438
  H     12.46169839      8.68057876    -11.09606921
  H     12.76352721      2.23729469    -14.13172127
  O     14.77815804     10.69915181    -13.12773549
  H     11.99399360      7.54427730    -12.03142154
  H     11.66116093      7.07746368     -9.82218255
  O     14.21868684      8.47856704    -14.64635303
  H     12.01501501      2.89483306    -11.97347280
  H     10.91611190      6.52248818     -8.58491485
  O     16.35696552      6.74690705    -15.34524753
  H     12.64149306      1.48811721    -12.00993482
  H     18.67520767      5.11139822    -10.99405744
  O     15.81057560      9.39401964     -8.62580900
  H     14.18622593     -0.35353600    -10.88174450
  H     18.24194660      5.84272222    -12.27315286
  O     15.07885035      6.94136199    -11.28345071
  H     14.61696726      0.60133388    -12.02233707
  H     14.25830935      3.83610178    -14.89194439
  O     14.26572858      7.27367569     -7.92460813
  H     17.90564101      8.20568119    -11.00609176
  H     15.37756389      4.23663566    -13.89729626
  O     13.24064561      2.28657167    -14.97964754
  H     17.31581983      8.70102611     -9.65274173
  H     15.91038987      1.80454844    -13.28663286
  O     11.73096312      6.45416100     -9.07651866
  H     13.86315366      6.49676147    -12.42480814
  H     14.74597177      1.31903079    -14.16672958
  O     18.50867911      4.97709448    -11.93391854
  H     13.60304474      5.64604614    -13.68875075
  H     16.82334731      5.36956238     -9.06581500
  O     14.80130958      4.57848102    -14.60019457
  H     14.59099502      9.95605145    -13.72589078
  H     15.56805580      4.48698511     -9.40180041
  O     15.40718707      1.01497003    -13.53393263
  H     14.68481740     11.49006235    -13.65175003
  H     18.50009795      6.68723105     -9.44839109
  O     15.85833754      5.35280173     -9.08572600
  H     14.97927954      7.99741147    -14.99609609
  H     19.36103248      5.74211003     -8.57382374
  O     18.62714221      5.75803620     -9.18162385
  H     13.68813858      7.81528109    -14.19283212
  H     14.36049136     10.00729207    -11.56349230
  O     14.06690732      9.48979980    -10.79778191
  H     16.85204800      6.57462212    -16.14253269
  H     14.64814248      9.68102360    -10.05254059
          69
 Energy    -248.27735062491047     
  O     12.04592278     10.06223575    -15.61746854
  H     12.55539709     10.87726531    -15.53213559
  H     20.17135915      7.09775365    -13.40500723
  O     15.57308610      6.36587342    -12.87077391
  H     12.60484751      9.43995531    -16.10079966
  H     16.61888721     11.61160035    -16.75419819
  O     17.17409960     10.84834893    -11.79946042
  H     14.78514593      6.23437574    -12.33139429
  H     15.52261038     11.03633303    -17.67569831
  O     18.41285505     11.24336815    -16.41107730
  H     16.19636867      6.88740980    -12.34479491
  H     15.45916686      7.76353793    -14.06193557
  O     13.19334491      5.58196074    -16.21373771
  H     16.99897991     11.09490695    -10.88107399
  H     16.50620129      8.24236315    -15.07460890
  O     15.18580115      8.71382902     -9.66392591
  H     16.33711364     10.91655606    -12.28138762
  H     10.05529597      9.16783813    -13.36028871
  O     13.21786728      6.34657827    -11.36545613
  H     18.59458785     10.94688236    -15.50164320
  H     11.32263625      9.35766824    -14.22917289
  O     14.84993875     10.67002867    -13.27297669
  H     19.11164135     11.85022549    -16.64168805
  H     11.52430866      7.13349674    -13.82308897
  O     17.85971053      8.81843895    -17.79895305
  H     12.70125947      4.87945482    -16.63048390
  H     12.31341806      6.08432713    -13.03353695
  O     17.94238105      7.14114678    -15.65763513
  H     12.73437301      5.78551249    -15.37900988
  H     18.39663430     10.66355109    -13.15337364
  O     15.97142985      5.22217074    -15.40895376
  H     14.46295844      8.90418926    -10.27492717
  H     19.19474467      9.47675403    -13.73126112
  O     19.35455774      7.58941990    -13.39547065
  H     15.89723396      8.33302879    -10.19530288
  H     18.07628366      7.79755685    -12.03765214
  O     15.69121505     11.70793543    -17.00417954
  H     13.23722066      6.15996719    -10.42959217
  H     17.25200761      9.01818508    -11.60203321
  O     15.65403461      8.47598621    -14.68728852
  H     13.21285644      7.31543995    -11.45063565
  H     15.93700421     10.30895497     -9.19758398
  O     10.97069399      8.91288601    -13.43648595
  H     15.17964213      9.94496708    -13.82743621
  H     16.73565889     11.23229734     -8.26322529
  O     11.93872566      6.26554574    -13.90354625
  H     14.45549320     11.32011080    -13.86543927
  H     14.69578743      9.00816816    -18.11283726
  O     18.93374027     10.38714630    -13.90857202
  H     18.12476250      9.65196629    -17.38798761
  H     14.82074427      9.42016473    -19.59893275
  O     17.30188394      8.05473151    -11.52025195
  H     17.01454944      8.99294722    -18.22890043
  H     13.77705656      9.67342216    -12.20732215
  O     16.42048081     11.15049291     -9.15954648
  H     17.31352662      6.40692351    -15.71914325
  H     12.35493363      9.08339774    -12.19819039
  O     15.24172585      9.50307881    -18.74741320
  H     17.97410495      7.61278877    -16.50261538
  H     13.55692985     13.24351670    -15.29970029
  O     13.19072060      9.08264649    -11.71334178
  H     15.87413357      5.44416413    -14.47150995
  H     14.45264349     12.13658413    -15.90882645
  O     13.74551756     12.31020083    -15.25998344
  H     15.08040754      5.27061723    -15.77181777
  H     13.57909279      7.30909110    -16.71513405
  O     13.86075616      8.23081109    -16.76618273
  H     18.88706068      7.37217352    -14.22218059
  H     14.49313616      8.35946455    -16.04251564
          69
 Energy    -248.27703206984916     
  O     -6.26592163      2.74375637      0.61792662
  H     -5.34124661      3.01812613      0.70533265
  H     -3.80566534     -2.62282338      2.23294191
  O     -5.16560374      3.56064543     -3.47984387
  H     -6.64681491      3.23698834     -0.11871451
  H     -1.35418187      0.93901328      5.28511950
  O     -6.44030370      1.13750008      2.94937931
  H     -4.34429977      3.38811639     -3.00138112
  H     -2.34338929      0.71595127      4.11925481
  O     -2.16305337     -2.91830827      1.34274966
  H     -5.35381974      2.75102267     -3.97078074
  H     -0.85873168      3.00974234      1.96430990
  O     -2.40760634     -1.49482537     -0.98787648
  H     -6.51269406      1.79090895      2.24144927
  H     -1.47893201      2.66938594      3.31389471
  O     -5.84486286      0.94940946     -4.46146142
  H     -6.78069417      0.30958073      2.58926334
  H     -2.94145414      3.47334893      1.44758368
  O     -6.33551912      0.18478850     -0.46558119
  H     -2.27813068     -2.49827739      0.47377757
  H     -3.35355087      2.18146078      0.75413873
  O     -4.26775461      0.13067097     -2.26318545
  H     -1.82431174     -3.79536811      1.17748704
  H      0.91593912     -0.73290401      1.50591880
  O     -3.00696067      2.62028794     -1.91946393
  H     -1.52471299     -1.25059420     -1.30884927
  H      2.39587704     -0.60176876      1.07017075
  O     -0.26468470     -1.16259955      2.68068337
  H     -3.05919631     -1.06388032     -1.55598142
  H     -0.09560501      2.12676508     -0.27613637
  O      0.07350893     -0.59439211     -1.67374853
  H     -6.62559932      1.00446409     -3.88043440
  H      0.57487075      1.20960740      0.77435761
  O     -4.58961186     -2.29488743      2.68794212
  H     -6.14485934      0.59976896     -5.29580114
  H     -7.45481604      0.73727081     -1.86378332
  O     -1.41541687      0.91910699      4.33307384
  H     -6.57191663     -0.45094163      0.22040502
  H     -7.82200363      2.15049547     -2.34154985
  O     -1.47744071      3.34620045      2.62847183
  H     -6.29766649      1.05803193     -0.04868934
  H     -3.46231786      0.38371871      2.46311327
  O     -3.53614710      3.13471454      0.76535012
  H     -4.69803831      0.29260883     -3.11131774
  H     -4.74034264      0.70109261      3.30775632
  O      1.50366851     -0.39987323      0.80295735
  H     -4.97414531      0.09257359     -1.59901359
  H     -7.65922838     -2.05313303      1.92454584
  O     -0.07589957      1.91451665      0.66548422
  H     -3.18028992      2.94783735     -1.02574020
  H     -6.13314384     -1.82672650      2.03735034
  O     -7.81975598      1.22497873     -2.61533849
  H     -3.41177800      1.74339505     -1.99454119
  H     -1.70683160      0.96890471      0.90693823
  O     -3.85207439      0.31878851      3.34852530
  H     -0.65063463     -0.49234853      3.25750409
  H     -2.57456773     -0.13607126      0.24630366
  O     -6.96300807     -1.44004140      1.70542063
  H     -0.98292140     -1.71174801      2.34527123
  H     -7.69777434      4.73900728     -1.92605327
  O     -2.59115667      0.57767746      0.89300934
  H      0.00281137      0.32921322     -1.94442929
  H     -6.49827488      3.87171128     -2.37600223
  O     -7.24986180      3.91403993     -1.75843949
  H      0.64041608     -0.60111153     -0.89179272
  H     -1.26621030      2.40311572     -2.13526598
  O     -0.31055474      2.22507910     -2.13013236
  H     -4.32191474     -1.45523729      3.08746075
  H      0.08393703      2.82363303     -2.75921956
          69
 Energy    -248.27691027037940     
  O     11.54049760      9.52672911    -15.58320717
  H     11.84582822      8.66371418    -15.89617855
  H     15.76503857      4.93828297    -14.77047323
  O     15.67563977      6.64178159    -12.39791748
  H     12.15966387     10.17803942    -15.93336055
  H     14.68830910     10.07876128    -17.39147158
  O     17.18573986     10.85072248    -12.56778514
  H     15.28117765      7.20719526    -13.08255302
  H     16.14988552      9.58374601    -17.29626356
  O     17.63450443      9.82602987    -16.34591645
  H     15.65539810      5.74825036    -12.76453520
  H     14.81775222      9.04636638    -14.42292176
  O     12.53970558      5.04570326    -14.26732443
  H     17.47178439      9.92940622    -12.52219220
  H     13.99152432      7.86572328    -15.02522926
  O     15.53214332     11.19778223    -10.38967733
  H     16.69802032     11.04640316    -11.75434354
  H     11.06459839      9.45418650    -13.93030727
  O     14.02799222      7.79176663    -10.55255538
  H     17.93042456     10.62404634    -15.88706779
  H      9.93551594      9.62079532    -12.88546510
  O     14.76474078     10.81874528    -13.96456515
  H     18.09779961      9.09252113    -15.93007747
  H     18.30971695      8.30558958    -10.68006857
  O     16.40244145      6.36358921    -15.93716042
  H     12.34684916      5.65707288    -13.53333455
  H     19.22962026      8.71864353     -9.52230484
  O     15.84874072      8.90084579     -8.68355063
  H     11.91288763      4.33012991    -14.19552789
  H     11.52777099      7.64746006    -12.53327168
  O     18.76459008      7.45998324    -15.07181467
  H     14.65766512     11.05038494    -10.77257338
  H     12.58828479      7.05707682    -11.58416199
  O     15.35441418      4.45973906    -14.03877597
  H     15.64101117     10.51155230     -9.72048876
  H     18.04760796     11.67468971    -13.91208587
  O     15.30448340      9.43045621    -17.74697815
  H     14.64111261      7.31238324    -11.13145930
  H     18.71358807     12.87562817    -14.60197906
  O     14.77534684      8.08736319    -14.50779514
  H     14.55631541      8.10806798     -9.81047485
  H     18.37506352      7.93946370    -13.30283066
  O     10.85025606      9.37103466    -12.98351511
  H     14.17618672     10.65972498    -13.21218695
  H     17.19817728      7.56945521    -12.36949278
  O     18.33974393      8.43626163     -9.71934768
  H     15.65618911     10.91043913    -13.60545311
  H     14.94360311      7.80428175    -18.06405125
  O     11.98015895      6.82833079    -12.29749402
  H     15.98037504      6.36628001    -16.80415818
  H     14.71040127      6.66425454    -19.08811298
  O     18.41342078     11.98399842    -14.75652741
  H     15.91224944      7.02304252    -15.42031583
  H     13.51256046      9.36454997    -11.34465935
  O     17.97608159      8.14255721    -12.44847093
  H     15.88328519      8.85437124     -7.73150304
  H     12.34780561     10.03664148    -12.10547634
  O     14.73710989      6.85308848    -18.15484681
  H     16.74400113      8.69971223     -9.00643445
  H     14.06409289     11.23106265    -15.52715671
  O     13.22852608     10.19910463    -11.74575497
  H     17.99703850      6.97509976    -15.42007522
  H     13.61482892     12.23562509    -16.61237779
  O     13.61025092     11.30933487    -16.38439584
  H     19.54055842      7.04760028    -15.44357484
  H     13.34088112      6.89663760    -16.90118787
  O     12.73954517      7.09261373    -16.17124991
  H     14.40161000      4.57359939    -14.15029512
  H     12.63838040      6.29692118    -15.63197349
          69
 Energy    -248.27687090529503     
  O     11.47728662     11.27815356    -11.78701857
  H     12.21541038     11.37534822    -12.40586662
  H     17.45030729      5.75330631    -14.80035899
  O     13.34757069      6.93782621    -14.66977279
  H     10.80312485     10.77277375    -12.25517505
  H     13.98858574     11.10389296    -16.70344797
  O     18.33655398      9.34427004    -12.57248672
  H     12.71431522      7.65309152    -14.81290401
  H     15.41027986     11.04579556    -16.12972281
  O     16.65684596      9.66912764    -16.23130893
  H     14.18459754      7.38414605    -14.45206078
  H     15.61348460      8.87793987    -13.37287880
  O     11.91435021      9.30837693    -14.87359018
  H     18.55039301      9.05379485    -13.46650307
  H     15.95816480      8.68909391    -14.86723686
  O     13.12003628      6.45243325    -11.92062684
  H     18.53478375      8.59759044    -11.99365214
  H     11.89312696     10.44483618    -10.31973535
  O     15.73067522     10.14944009    -12.10904556
  H     17.54171615      9.32677774    -16.06303119
  H     11.83738356     10.34563815     -8.77591581
  O     15.13030630      8.24959527    -17.99656980
  H     16.25673163      9.15962015    -16.95460073
  H     19.36603893      6.70632619    -10.49221684
  O     15.19481803      4.63512519    -11.40295367
  H     12.52956568      9.89649935    -14.40911302
  H     17.83362781      6.90325144    -10.40615808
  O     18.94007980      8.31717326    -15.29501219
  H     11.09867684      9.29447922    -14.35795661
  H     11.15733966      8.41633245    -10.43762489
  O     14.83942070      5.72909476    -16.66827436
  H     13.71519181      5.72567220    -11.69876961
  H     11.52172078      7.21531095    -11.33452308
  O     17.59974018      5.95196628    -15.73529030
  H     13.13325239      6.54287511    -12.88285891
  H     17.60618312      6.30060671    -12.40444913
  O     14.58997950     11.55899570    -16.10400356
  H     16.68536935      9.99587988    -12.17403298
  H     16.50546098      6.79968134    -13.38539797
  O     15.62742970      8.22696864    -14.08594790
  H     15.36881032      9.61030363    -11.39211253
  H     15.66785219      7.32687286     -9.71363892
  O     12.08653208      9.86519979     -9.56045167
  H     15.00143412      7.35466171    -17.66113567
  H     15.90670662      5.83851474    -10.01130771
  O     18.60593978      6.98802426    -10.99380334
  H     14.28327256      8.70424754    -17.89833779
  H     12.03051010     10.04492845    -18.02519823
  O     10.79262610      7.79748158    -11.08236915
  H     15.80840416      5.04210469    -12.03941806
  H     12.37338498      9.58227606    -16.59257937
  O     16.92784827      6.00439342    -13.02516025
  H     15.31930484      3.69151298    -11.46144637
  H     13.94061924      7.80955000    -10.95391502
  O     16.31038009      6.61232953     -9.60118009
  H     19.82668454      8.26903416    -15.64417749
  H     13.64488125      8.97666604     -9.98123777
  O     12.74988439      9.74982988    -17.47190406
  H     18.51448601      7.46709785    -15.50173623
  H     14.35345423     10.89381961    -13.04158828
  O     14.36042964      8.46074291    -10.37430090
  H     14.23689611      6.06019351    -15.98252707
  H     13.94807509     11.43888775    -14.44015949
  O     13.59530235     11.13284625    -13.59135385
  H     14.44609835      4.93162440    -17.01503946
  H     10.08528406      8.71995157    -12.38003597
  O      9.77731194      9.31864231    -13.08448604
  H     16.73472084      5.86996330    -16.15257414
  H      8.82522517      9.27434529    -13.08667538
          69
 Energy    -248.27681793921971     
  O      6.98035438     -2.41018094      0.01754398
  H      6.12009184     -1.99704290      0.15297428
  H      3.96860637     -0.73653180     -0.18370023
  O      9.44474906     -1.48450162      0.90424929
  H      7.00112778     -3.23540336      0.52195519
  H      3.64561490     -2.39938851      1.71957894
  O      4.99911931      0.46602388      2.64615670
  H     10.07929657     -1.73026296      0.22069359
  H      4.09806541     -3.50080976      2.70660219
  O      8.67271342      0.06152169      3.03937093
  H      8.56474076     -1.70307213      0.56276444
  H      7.82235107      2.08134782      7.17205320
  O     11.09140531     -2.65889883     -1.05108244
  H      5.54311519      1.22131776      2.91393435
  H      8.23828138      0.87787271      6.29378302
  O      6.48584042     -4.79233003      5.98437290
  H      5.43191354     -0.30100353      3.04681593
  H      5.90885056     -4.52877389      4.21971882
  O      6.90443546      2.15052824      3.69708682
  H      7.89825793     -0.47360515      3.26416328
  H      6.24924837     -4.50904017      2.69313601
  O     11.04182527     -4.91005234      0.48225903
  H      9.05429980     -0.33492478      2.24595316
  H      7.78399134     -5.36926805      0.73331190
  O      2.31334425     -2.37592128      4.86713826
  H     11.18512490     -3.47591730     -0.52872338
  H      8.25867829     -4.46875639      1.90563777
  O      3.28250194      0.30758655      4.94608658
  H     11.94082997     -2.48213250     -1.44574222
  H      9.46866562     -3.49638072      3.57256134
  O      9.40644721     -0.30306036      5.70423880
  H      5.77467925     -4.19283961      6.27896743
  H      9.67289835     -2.84962245      2.16428852
  O      4.49169290     -1.13959963      0.50548040
  H      6.43696475     -5.56901164      6.53473231
  H      7.95436712     -2.44417972      4.72788482
  O      3.33740946     -2.96719789      2.43328329
  H      7.63493950      1.62264729      3.34539149
  H      8.04280472     -3.71350086      5.57311382
  O      7.50810607      1.49054967      6.49282703
  H      7.00532074      2.10025448      4.65428868
  H      8.62649749     -5.25451887     -1.27991775
  O      5.65265726     -4.15462224      3.36795441
  H     10.33790711     -5.45553754      0.11003014
  H      8.55919769     -6.80161886     -1.32036820
  O      7.47185366     -4.79584253      1.44329907
  H     10.72307988     -4.61238761      1.34507338
  H      6.16110639      0.24035707      6.45854873
  O      9.69703615     -3.68423289      2.65387893
  H      2.61233828     -2.59041389      3.96582678
  H      4.72787287     -0.07638902      5.90872403
  O      8.58823449     -3.03411406      5.15848303
  H      1.40598211     -2.66274744      4.93081336
  H      3.73385193     -2.91612049      6.05098091
  O      8.69334372     -6.06045374     -0.73634753
  H      3.66897173      0.46305098      4.07541100
  H      4.91057164     -2.14751919      6.67249284
  O      5.54198134     -0.47166812      6.26003050
  H      2.84082258     -0.55077474      4.90226826
  H      9.42589340     -3.23534975     -1.83603981
  O      4.53559000     -3.03404045      6.57421925
  H      9.35796379     -0.10850186      4.75639837
  H      7.93167575     -3.13572419     -1.46470641
  O      8.56510254     -3.64631444     -1.98640887
  H      9.33018108     -1.26052838      5.77261401
  H      6.12198947     -2.41696058      3.71272375
  O      6.50042480     -1.55000229      3.91175476
  H      4.63372247     -0.45696093      1.18372105
  H      6.15470870     -1.23218569      4.76154618
          69
 Energy    -248.27675028462789     
  O     10.58603091      3.23023816    -22.11377688
  H     11.17361481      3.92487453    -21.78280292
  H     14.26708447      4.88549815    -23.24109942
  O     12.23661622      5.05873044    -20.90468984
  H     11.11463221      2.65368308    -22.68281254
  H      7.74771449     -1.65805046    -22.34519827
  O     10.04293943      5.15859392    -19.14183935
  H     12.88231245      5.41219259    -21.52870330
  H      8.31351167     -0.51872861    -21.46864026
  O     10.80676890      1.41714934    -19.98693534
  H     12.73167417      4.53445151    -20.25798650
  H     10.24218475     -3.05487248    -17.44083348
  O     12.38712437     -0.31260464    -16.91838085
  H     10.72416170      5.29300636    -19.81604195
  H     10.49128859     -2.23246212    -18.72548730
  O     13.33973593      0.82545660    -19.21921006
  H      9.35854507      4.61799014    -19.54952375
  H     13.09472708      3.89193432    -18.21458312
  O     14.32043875      3.34131122    -24.04232292
  H      9.96419815      0.95394173    -20.05188024
  H     13.58690190      2.63296613    -18.98779731
  O      8.56731154      0.04136762    -17.64611534
  H     10.80505393      2.06961041    -20.69756889
  H     11.70216344      5.18702102    -16.41189153
  O     10.63234026     -2.29029016    -20.45099442
  H     11.82221522      0.46474872    -16.81036724
  H     11.03880073      4.78975272    -17.75406058
  O     10.79586135     -0.75949207    -23.82345343
  H     11.78180676     -1.02935100    -17.14656323
  H     11.69747799      0.78413686    -23.72483528
  O      8.07855443      0.70125637    -20.23545487
  H     12.44189796      0.95755044    -19.56491998
  H     12.90131802      1.13231767    -22.82170733
  O     14.28701011      5.68369074    -22.68208326
  H     13.22397010      0.34662776    -18.38701237
  H     13.36077085     -1.29995913    -22.09401188
  O      8.55814521     -1.22125371    -22.09498700
  H     13.55065475      2.75787353    -24.01152438
  H     13.42382509     -2.78170431    -22.52383083
  O     10.37228887     -2.16613839    -17.76131255
  H     15.04344505      2.84368632    -23.64086080
  H     15.12454815      3.96351706    -20.03860483
  O     13.62572184      3.59937202    -18.96503666
  H      9.13862347      0.73545963    -17.29118758
  H     15.34455480      4.76162851    -21.34265205
  O     11.68565781      4.50864669    -17.08152177
  H      9.09947277     -0.76460784    -17.62305428
  H     10.95216936      2.78671830    -16.98105578
  O     12.26597018      1.51520008    -23.44133264
  H     11.42307771     -2.25369669    -21.00147510
  H     10.68846961      1.82098152    -18.15305854
  O     12.82026682     -2.08760184    -22.27052451
  H      9.90161575     -2.00720367    -21.01339620
  H     14.95327974      0.75898713    -21.97929040
  O     15.74408117      4.09720437    -20.76795497
  H      9.98351292     -0.87217407    -23.31500182
  H     13.97210070      0.42310504    -20.81476474
  O     10.62196484      1.90638788    -17.19091937
  H     11.45162295     -1.32652170    -23.39771402
  H      8.97819441      3.42606392    -21.37145018
  O     14.16329706      0.25466190    -21.75023089
  H      7.98873430      1.65741883    -20.32362022
  H      7.55490946      4.01653020    -21.25225229
  O      8.21318116      3.51474557    -20.77636387
  H      8.09467488      0.47472647    -19.29127727
  H     17.19753746      1.88201310    -22.51017911
  O     16.25742257      1.99050763    -22.39523265
  H     14.54943268      6.40824334    -23.24278144
  H     16.13400901      2.71934429    -21.76032849
          69
 Energy    -248.27654983538565     
  O     11.69095457     11.60414435    -12.05499463
  H     12.35619053     11.81037058    -12.72524901
  H     17.08700006      5.92933016    -16.03213255
  O     13.70691012      6.96891452    -14.53632834
  H     11.04585850     11.03438925    -12.49043875
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  H     13.72396380      6.73043319    -13.60010780
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  H     17.81150336      9.31236717    -10.48782446
  H     15.16876221      8.10570723    -14.32838415
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  H     18.69713756     10.56245283    -10.26555517
  H     16.55311713      7.24169126    -12.88637250
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  H     18.66874721      8.40022749    -18.61500543
  H     17.71341499      6.26577309    -12.65322809
  O     15.60532210      7.75140937    -18.21262265
  H     17.24940478      8.15285937    -18.04040346
  H     12.20941262      8.63865079    -11.29736815
  O     14.08018452      6.32017476    -11.79522420
  H     12.97594020     10.15770243    -14.50726407
  H     12.28080601      7.19481540    -11.79489528
  O     17.62782820      9.98833405    -15.61624282
  H     11.59582230      9.45542875    -14.49893001
  H     19.30886012      8.33411413    -13.45634467
  O     15.22781502      5.60236657    -16.35556086
  H     13.76749045      7.50522939     -8.49204649
  H     18.90224968      9.56852977    -12.61429330
  O     18.01093238      6.19015308    -15.93885664
  H     13.87980162      8.56540202     -9.61016429
  H     18.88339420      6.29329865    -14.45924170
  O     15.66221759     11.84263673    -16.07234690
  H     15.67573645      9.76331737    -12.67107284
  H     20.10136597      5.85367384    -13.61049838
  O     15.91777267      8.55970028    -13.92686019
  H     16.46580718     10.53610376    -11.59450702
  H     17.02767904      7.30180846    -10.69761816
  O     16.82886196      6.48840489    -12.34083927
  H     14.99729902      8.45465038    -17.93745813
  H     16.13634786      7.84107410     -9.56649856
  O     11.67351594      7.93235973    -11.68564326
  H     15.38790369      6.97512894    -17.68453388
  H     13.36180357      9.62171862    -16.54843983
  O     19.19531753      9.29179341    -13.49077698
  H     15.01376053      6.16150783    -11.99463968
  H     14.53832482     10.53312285    -16.93909528
  O     19.32316527      6.40373649    -13.59569450
  H     14.08834608      6.72025420    -10.91580027
  H     14.14865373     10.12798224    -10.99824083
  O     17.03517497      7.86901347     -9.91366930
  H     18.26577793      9.83167922    -14.90220064
  H     12.68379879     10.61055884    -10.89607164
  O     14.02265618      9.77410801    -17.23505478
  H     17.89634499      9.46725202    -16.38363639
  H     14.44897968     11.83889895    -14.64209749
  O     13.30806252      9.95795925    -10.54804056
  H     14.63535645      6.03580466    -15.71923365
  H     14.51392130     11.35448361    -13.17993252
  O     13.90005365     11.62702813    -13.87702671
  H     14.85242057      4.74367172    -16.53525723
  H     10.61019519      8.84850276    -12.72769185
  O     10.16495901      9.48208325    -13.31975426
  H     18.16591790      6.87327688    -16.60248942
  H      9.23923025      9.25584888    -13.32279877
          69
 Energy    -248.27624706320856     
  O     -6.08813862      3.64205561     -1.39961427
  H     -6.87897641      4.12341709     -1.62620973
  H      0.36027083      2.67882021      1.61981289
  O     -1.74309214      3.07504257     -3.64399212
  H     -6.05535333      3.59718805     -0.42641609
  H      0.28158594      3.06627977     -0.60575346
  O     -5.84013046      3.39603409      1.28452018
  H     -2.31542443      3.43079850     -2.94145127
  H      1.37691908      3.92614714      0.07291282
  O     -1.59438140     -0.22596632     -1.01686751
  H     -1.72204414      3.72215268     -4.34366612
  H      3.05204388      0.30346161     -0.47854405
  O     -3.16024054      0.59690761     -3.32168021
  H     -5.10073220      3.76772860      1.77839583
  H      3.71558701     -0.99840551      0.03115259
  O     -3.27109210     -1.93909759      0.26843671
  H     -5.81946794      2.44074200      1.44104787
  H      2.28002466      1.98608680      2.36905692
  O      0.09871518      1.82394945     -1.95839626
  H     -2.05839534      0.52364691     -0.60967060
  H      3.24693897      1.10232557      1.55960159
  O      0.37696761     -0.35988184      1.10686517
  H     -2.07724848     -1.00327465     -0.69739450
  H     -4.81510222      0.82035991     -2.63519056
  O      2.88162423      1.59816662     -1.64537725
  H     -2.60068400      0.16342074     -2.66712612
  H     -5.82793599      1.79832189     -1.96740938
  O     -3.40677071     -0.61136722      2.88891458
  H     -2.68190995      1.38812260     -3.59501435
  H     -2.71161043      2.77974115      3.02940978
  O     -5.43592348      0.64618825      1.41103242
  H     -3.25065136     -1.58320593      1.16498276
  H     -1.34154657      2.02078211      2.90193454
  O      0.34997358      2.05416496      2.35823265
  H     -4.17672167     -1.81913533     -0.04475598
  H     -6.64612881     -1.82474323     -0.86282836
  O      0.43518851      3.71363023      0.09633389
  H     -0.43814940      2.25989871     -2.63300809
  H     -5.87563972     -0.52508204     -1.20273751
  O      3.07896181     -0.32767199      0.26246176
  H     -0.37500874      1.02590817     -1.69184485
  H     -3.92506499      1.36534311      0.43052150
  O      3.18374051      1.94321108      2.03015765
  H     -0.22160007     -0.46039217      0.35972172
  H     -2.65272324      1.87792844      1.12108252
  O     -5.65542063      0.87078080     -2.15543947
  H      1.27489467     -0.48188677      0.77063898
  H     -2.45413065      4.84808579     -0.22594004
  O     -2.30197007      1.90788504      2.96245196
  H      1.94594164      1.65741450     -1.88311029
  H     -1.07939362      4.71669041      0.45102183
  O     -5.94028324     -1.25920845     -0.56308262
  H      3.09568366      2.42649372     -1.19890171
  H     -4.27759717      3.89848405     -1.62128455
  O     -3.04675302      1.72564199      0.25325280
  H     -2.95426822      0.24367137      2.98530996
  H     -3.17097134      3.07656202     -0.93009489
  O     -1.96418964      5.08693384      0.57114336
  H     -3.24390857     -1.09559929      3.69456150
  H     -3.59494518      5.15884459      3.28302028
  O     -3.31910198      3.81010780     -1.54804735
  H     -5.75336234     -0.01850611      0.78598568
  H     -2.94420211      4.71512571      1.95097249
  O     -3.51094934      4.41938734      2.68662125
  H     -4.86135603      0.18409945      2.03520774
  H      3.93428688      4.50211901      0.22664965
  O      3.24445139      3.85715610      0.09874437
  H      0.34458711      1.16269647      1.96901259
  H      3.31031063      3.22256581      0.83542603
          69
 Energy    -248.27611425358714     
  O     18.22206395      6.42190215     -9.80525974
  H     17.62213644      5.70684431    -10.05983353
  H     15.97541469      9.02336090    -15.29432708
  O     16.43243450     10.62809311    -14.45061160
  H     17.76314781      6.91968712     -9.11864428
  H     12.92008499      4.79994423    -14.31939807
  O     12.84352278      6.98359492    -12.28867421
  H     16.81258578     11.41979796    -14.82192226
  H     14.12269644      4.35037694    -13.43942221
  O     13.87312432     10.62407595    -13.16048809
  H     16.98561120     10.38481158    -13.68584354
  H     15.70793721      8.08571842    -11.03857431
  O     16.17467146      9.59646450    -10.09932943
  H     12.84625772      6.07677107    -12.61757864
  H     15.66710831      6.51598320    -11.07806779
  O     17.87850802      9.94151393    -12.27603324
  H     13.75675005      7.16856475    -12.01472299
  H     18.99078936      7.12539393    -11.20193022
  O     12.01249387      3.58429033    -11.11579166
  H     13.40969389      9.97131827    -13.69954096
  H     20.29655600      7.34644369    -11.99948420
  O     15.78834043      3.54663513    -16.14052483
  H     14.74149458     10.72322565    -13.56806515
  H     12.76858041      9.02965033     -9.94433879
  O     16.57419847      7.86638219     -7.94516949
  H     16.31052754      9.13416830     -9.26208680
  H     12.38753345      7.70820983    -10.62816744
  O     12.65747964      5.77622087    -15.82109843
  H     15.30589088     10.02013598    -10.08624734
  H     14.07744996      5.68691723     -8.55132689
  O     15.14840275      6.07759142    -17.25260998
  H     17.33937610      9.92605799    -11.47274179
  H     13.57055969      7.13662779     -8.76692391
  O     15.75198952      8.10500720    -15.49053223
  H     18.46558894      9.17945047    -12.21501980
  H     13.93000426      8.25038122    -14.92576351
  O     13.16101782      4.44208844    -13.45263718
  H     11.10101180      3.86711874    -11.13610519
  H     12.88442072      7.92455627    -13.81994747
  O     15.44305357      7.32147771    -11.56388426
  H     12.37335150      3.78343193    -11.99503719
  H     13.21045353     11.49926210    -10.21609341
  O     19.35576837      7.49715992    -12.02540113
  H     15.21374765      2.91922625    -16.57485930
  H     13.67728922     10.67137761    -11.43517752
  O     12.45426948      8.13596536     -9.76363305
  H     15.61992945      4.39932957    -16.56746693
  H     13.23505178      3.78077840     -9.87402763
  O     14.24163705      6.60458526     -8.31312155
  H     16.72653747      7.98045650     -7.01136137
  H     13.89759717      3.14372752     -8.63341831
  O     13.00589007      8.37624373    -14.67034881
  H     15.72919279      7.38682799     -8.03627151
  H     18.02481825      6.91903351    -13.21978090
  O     13.62194698     10.67499244    -10.46229847
  H     13.42096115      5.78515523    -16.40933905
  H     16.51848047      7.02758570    -12.91395145
  O     13.95147901      3.88960697     -9.22584347
  H     12.55486268      6.69249219    -15.53238968
  H     16.12819901      4.37771116    -11.59821104
  O     17.15376101      6.73326056    -13.58818378
  H     15.38801212      6.83374364    -16.69112668
  H     15.45234208      4.36722203    -10.18977221
  O     16.18136892      4.73754040    -10.70276242
  H     15.22219257      6.37787963    -18.15542701
  H     16.44787928      5.06229216    -13.55249815
  O     15.97259269      4.22321659    -13.46503521
  H     16.29059738      7.57404976    -14.88391316
  H     15.97558907      3.83118604    -14.34923536
          69
 Energy    -248.27596707635820     
  O     12.89732632     11.29232105    -16.62711572
  H     12.17837528     11.91205909    -16.71817230
  H     19.74627630      5.46898363    -12.02935883
  O     16.76239020      6.34805647    -13.35573977
  H     12.79933359     10.88157582    -15.75001039
  H     15.41187374      9.55451591    -18.69967500
  O     17.79214982      7.80121599    -17.58882125
  H     15.98770144      6.71305609    -12.90576245
  H     16.36771252     10.13168039    -19.77095158
  O     16.08412961      5.51460695    -17.65196826
  H     17.52401483      6.50434653    -12.78299972
  H     17.04935442      8.23428409    -15.97688819
  O     16.72936722     10.86173192    -10.40522857
  H     17.25565136      7.01149476    -17.73812076
  H     16.71648707      7.71412558    -14.54504944
  O     14.63651676      7.66497272    -12.16020945
  H     17.38440329      8.52223774    -18.08834509
  H     13.27721949     10.31147889    -13.51391243
  O     16.48891043     11.03856479    -14.50210469
  H     15.96921987      4.81920339    -18.29327907
  H     12.50034660      9.13934828    -14.14548773
  O     20.10846910      4.71606926    -15.09031356
  H     16.51493047      5.11586866    -16.87209076
  H     13.12877698      7.10769790    -14.88044748
  O     16.79891970      8.03037480    -10.26311247
  H     17.39112350     10.94459884    -11.11718085
  H     11.84814222      6.61508644    -14.16638776
  O     19.83272524      7.51126867    -15.62891628
  H     16.90870287     11.55744753     -9.77922459
  H     20.00723562      8.45834837    -14.17496071
  O     17.29470499      4.60334602    -15.44890596
  H     13.86691086      7.40378252    -12.67925709
  H     21.07697905      9.10891713    -13.27400483
  O     20.15519736      4.65427110    -12.36523260
  H     14.71048244      8.62517733    -12.26442094
  H     18.24418697      7.37071569    -11.07647908
  O     16.33135110      9.83052370    -18.86631029
  H     16.25891823     11.51236938    -15.31133900
  H     19.33495883      7.70864943    -12.15560683
  O     16.51147991      8.40225724    -15.19210623
  H     16.52321121     10.09872330    -14.73860039
  H     17.81666396     11.14830464    -13.26001074
  O     12.64205888     10.09043350    -14.20800416
  H     20.83284319      4.19669089    -15.42971855
  H     19.02854518     10.32271410    -12.78530315
  O     12.58758918      7.21112528    -14.07926701
  H     20.15805411      4.66260632    -14.11999063
  H     13.38982937      9.87342028    -17.73079612
  O     20.14702539      8.89843617    -13.31817408
  H     15.98418754      7.79229913    -10.72088270
  H     13.83769511      8.40781799    -17.56780976
  O     18.90700365      6.98990544    -11.67232681
  H     16.78817623      8.99400502    -10.19480585
  H     15.33587572     10.72715935    -13.17319123
  O     18.41233210     11.01022075    -12.50901345
  H     19.25528519      7.62442087    -16.39332660
  H     15.28580867     10.67933740    -11.63148799
  O     13.79526133      9.13381230    -18.20275502
  H     19.93949028      6.56062572    -15.50208271
  H     15.98326408     11.32052617    -17.60073725
  O     14.78373056     10.45519863    -12.42347803
  H     18.25481258      4.53222869    -15.39442212
  H     14.71611562     11.81033630    -16.87229856
  O     15.66674690     11.96282412    -16.95566319
  H     17.02869452      5.12719318    -14.67946033
  H     14.74978455      6.49022546    -16.75553100
  O     14.27924146      7.15432035    -16.23692399
  H     20.04606323      4.00367181    -11.67624317
  H     14.96910446      7.69938988    -15.82738064
          69
 Energy    -248.27574052908335     
  O     12.04233693     11.36740027    -15.82506000
  H     12.64040177     11.61971059    -15.11300002
  H     18.54342512      9.27214282    -12.36647957
  O     15.49632308      7.32063735    -13.04005911
  H     11.37199788     10.80768905    -15.40503565
  H     17.45911588     10.77586483    -15.52088815
  O     16.05738803     11.52260561    -12.06594723
  H     15.22928071      7.99802295    -13.68198775
  H     16.83427242     10.09358694    -16.82378116
  O     13.11596397      7.84203982    -16.70073738
  H     16.08067447      7.77067536    -12.41549446
  H     14.22673624      8.81154993    -15.53109706
  O     12.37114442     10.63068672     -9.28591531
  H     16.74112461     11.78128477    -12.69373741
  H     15.65396070      9.41810290    -15.30572314
  O     12.86281875      7.39748152    -12.16761196
  H     15.21785751     11.55542845    -12.54895443
  H     10.75510572      9.87107733    -13.47558328
  O     13.74125319     11.36004622    -13.52858183
  H     13.87362888      7.39055259    -17.09722395
  H     10.64844575      8.72424509    -14.48460170
  O     16.73684858      6.28677631    -15.36091618
  H     12.92578630      8.61780022    -17.24626054
  H     16.21494279      8.22907422     -8.01488083
  O     13.38218217      7.94694112     -9.42166327
  H     11.93127609     11.14242474     -8.61289213
  H     15.04360552      8.30882575     -9.02354709
  O     19.02929564      7.94072253    -15.35210634
  H     13.28908470     10.95357291     -9.33211500
  H     12.06656141      7.23228469    -15.38594406
  O     15.51331479      6.85987034    -17.70684832
  H     12.34815290      7.15139745    -12.94579416
  H     10.99518586      6.21906932    -14.92776406
  O     19.19031663      9.58812514    -13.01311573
  H     13.79282934      7.27974333    -12.40979613
  H     18.72049420     12.58174853    -14.05973796
  O     17.29385883      9.94619597    -15.98318199
  H     13.05497351     10.99111562    -12.95434322
  H     18.57153406     11.09164547    -13.66286828
  O     14.80916448      9.22050784    -14.88085693
  H     14.10786510     10.61106801    -14.02487649
  H     16.62450390      9.83029607    -11.61779967
  O     10.42510425      9.65293491    -14.35843278
  H     16.30722758      6.46087639    -14.51357119
  H     16.75472364      8.79207719    -10.47089124
  O     15.94029904      8.63752998     -8.83103772
  H     17.60058368      6.71552963    -15.30950860
  H     15.43237210     10.47943685     -9.14080590
  O     11.50556478      6.97141355    -14.63698973
  H     13.13788959      7.62370670    -10.29806360
  H     15.40362469     11.51251916    -10.28893434
  O     18.10087995     11.85691118    -14.04272436
  H     12.90913242      8.77984886     -9.29928738
  H     14.81740121     10.00809214    -18.20410949
  O     17.00202242      8.96846583    -11.38704980
  H     19.75394627      7.92145142    -15.97263110
  H     15.71601644      8.75617870    -18.14637511
  O     15.00112629     11.28973413     -9.43967258
  H     18.43178256      8.65480970    -15.63936544
  H     11.92467717     10.29899839    -11.04604107
  O     15.73883260      9.72077954    -18.18979826
  H     15.70911369      6.15720265    -18.32096846
  H     12.24209447      9.12600648    -12.01235164
  O     11.87560390     10.02103934    -11.96838984
  H     15.95531340      6.62941049    -16.86964972
  H     12.40842466     10.58173523    -18.81881344
  O     12.92605688     10.25513485    -18.08815686
  H     19.24292244      8.91057381    -13.69740286
  H     12.61799976     10.72985536    -17.29338765
          69
 Energy    -248.27556994258330     
  O     -4.35226714      4.04490135     -2.13556665
  H     -4.88082775      4.71929033     -2.55557417
  H     -7.06630294      1.24035009      2.00846637
  O     -0.05330896      2.74296691     -3.47316525
  H     -4.67953150      3.96681343     -1.22219579
  H      0.57004017      2.04613170      2.93829002
  O     -5.20896079      3.85822541      0.42930166
  H      0.03373676      3.14509798     -4.33278426
  H     -0.54785549      1.06044965      2.50658831
  O     -3.06737942     -2.04876784      2.62849580
  H     -0.54726116      3.37088696     -2.91505565
  H      1.18708710     -0.68101262      1.95179360
  O     -1.70639542      0.71204242     -2.46491788
  H     -4.66484725      4.21440925      1.14188170
  H      2.22073474     -0.68512502      0.81802265
  O     -3.37164462     -2.14276489     -0.04153870
  H     -5.65674216      3.07924762      0.77937674
  H      3.16151699      2.10336928      3.27738686
  O     -0.77422589     -1.27516300     -0.82920912
  H     -3.22185977     -2.17671836      1.67317435
  H      2.40011089      1.11500005      2.35963933
  O      1.84370571      1.64667893     -1.68217516
  H     -3.23812201     -2.88384917      3.05367529
  H     -4.32552054      2.30036224     -2.90000454
  O     -0.69430448     -0.65642968      1.91621708
  H     -1.09571302      1.33826232     -2.87096843
  H     -4.72024802      0.86625062     -2.50495813
  O      2.02317356     -0.95004565     -1.03984290
  H     -2.58087841      0.87527247     -2.84875216
  H     -3.32689345      1.94481472      3.59220745
  O     -3.90599040      0.60455403      2.43598097
  H     -2.50175542     -1.96510758     -0.42377388
  H     -1.90996703      2.48543165      3.78364391
  O     -6.32650196      1.41500447      1.43256642
  H     -3.97594827     -1.47283175     -0.38456661
  H     -4.19439086      0.68127969     -0.52621633
  O     -0.38482080      1.95841941      2.83030744
  H     -1.07982789     -0.63215305     -1.48671743
  H     -5.66189193      0.45282217     -0.15441919
  O      2.11472116     -0.49083524      1.75770879
  H      0.18482691     -1.32022976     -0.92834927
  H     -2.22239885      1.23922205     -0.77464365
  O      2.40551478      2.02756222      2.70234934
  H      1.84905849      2.30648230     -0.97440172
  H     -2.27121377      2.33356261      0.30607019
  O     -4.26253283      1.37918408     -3.18426043
  H      1.29079279      2.01614803     -2.37945098
  H     -0.91286917      3.15628811      1.60167168
  O     -2.83764781      2.69073246      3.96474011
  H     -1.39346049     -1.19079165      2.30772492
  H     -1.93279238      4.31134638      1.41292577
  O     -4.97205749      0.14747305     -0.75306114
  H     -0.76667091     -0.77301418      0.95767591
  H     -1.38077965      4.23695738     -0.89320721
  O     -2.64261470      1.47942037      0.06283275
  H      1.97842978     -0.00909624     -1.29542910
  H     -2.50124519      4.23528040     -1.95975245
  O     -1.24677429      3.80381289      0.96039292
  H      2.67246211     -1.35859629     -1.60536424
  H     -3.52448872      5.63288376      2.93925016
  O     -1.54426925      4.29659663     -1.84114669
  H     -3.69685748     -0.31800246      2.62770578
  H     -3.26153389      4.11076393      3.06088019
  O     -3.41653881      4.83535212      2.42792818
  H     -3.38380853      0.85131780      1.65785847
  H      1.97230687      3.08612253      1.18476710
  O      1.66018501      3.50662213      0.37277232
  H     -5.53029481      1.09596087      1.89127494
  H      0.75662739      3.78817455      0.54371620
          69
 Energy    -248.27533108521948     
  O     16.21829231     11.81972113    -12.50624635
  H     16.79562119     11.19549690    -12.05005704
  H     14.57615073      6.87879535    -15.04271792
  O     17.02662143      9.05243059     -7.24546309
  H     15.82109482     12.35529473    -11.80937749
  H     12.57262769     11.11703974    -10.29656638
  O     15.98929244      5.76367897    -11.12070571
  H     17.83610334      8.96442270     -7.76370601
  H     12.50711564     11.69200439    -11.72032845
  O     12.29329557      5.60908894    -11.06423197
  H     16.47624887      9.69294054     -7.71591494
  H     15.26404993      9.37398720    -15.15189026
  O     17.92684446      6.06623083     -9.11584532
  H     15.48953874      5.17056134    -11.69495874
  H     16.06505135      8.30495789    -14.39207597
  O     15.94661645      6.57645984     -7.07693564
  H     15.35614607      6.12121238    -10.48151767
  H     18.78775534      7.58593991     -9.14349562
  O     17.45232163      9.90115145    -10.80356397
  H     12.85019083      5.03296245    -11.60546869
  H     20.10061079      8.38951906     -8.98066244
  O     14.95880281     13.08796222    -10.25570079
  H     12.86539780      5.90258169    -10.34177729
  H     14.68338179      6.58157756     -8.40831644
  O     10.74576104      8.03144177    -10.22991249
  H     17.31775399      6.07926770     -8.36770239
  H     13.84274444      7.58758739     -9.23922595
  O     15.45720021     10.63505476     -8.95276610
  H     17.38769981      5.84137909     -9.88589258
  H     13.17498464     11.11342809    -14.01341490
  O     13.87807701      8.64952721    -12.21190224
  H     15.90857519      6.27574457     -6.17310443
  H     13.06570764     10.04769591    -12.93207742
  O     14.05359449      6.10555521    -14.78889890
  H     16.30593126      7.48218018     -7.05961246
  H     11.84926881      6.52271664    -12.59271300
  O     12.56516956     11.94527271    -10.78904737
  H     16.74967756     10.11393614    -10.17385406
  H     11.18416839      7.74513930    -13.29891834
  O     15.52658656      8.44855473    -15.18390386
  H     18.15519548      9.48344607    -10.29036180
  H      9.46195207      9.70308751    -13.12299277
  O     19.15847999      8.48533509     -9.08930063
  H     14.05368222     12.78451539    -10.44983415
  H     10.99006114      9.91774393    -13.05686490
  O     14.14431219      6.67241093     -9.20536917
  H     14.89426230     13.99737153     -9.97719645
  H     14.22349446      4.93097005    -13.53547293
  O     12.56904953     10.77260003    -13.34533632
  H     11.01376123      7.13487212    -10.45971123
  H     14.26636391      3.44383548    -13.11108257
  O     11.85076926      7.05635540    -13.40066127
  H     10.47688566      8.45611434    -11.05459183
  H     15.38876903     11.49693249    -14.02231633
  O     10.27225907      9.31530968    -12.80127641
  H     14.61489843     10.18516485     -9.10116916
  H     15.23579867     11.87211622    -15.51242974
  O     14.22410735      4.33158654    -12.76614327
  H     15.35023298     11.54103553     -9.26960682
  H     12.21481816      8.92125091     -9.68279443
  O     14.87571142     11.31209904    -14.82945911
  H     13.31784826      8.00324529    -12.65931443
  H     13.45835349      9.09796395    -10.58518845
  O     13.11093207      9.28938944     -9.69656372
  H     14.79668095      8.45960264    -12.43844719
  H     16.47209864      7.18996455    -12.15468603
  O     16.55535494      8.02871702    -12.62811228
  H     13.18353097      6.44155376    -14.53379428
  H     16.95001869      8.66673403    -12.01886691
          69
 Energy    -248.27516111158371     
  O     12.39717998     10.93158808    -15.69260912
  H     12.64039429     10.02500723    -15.94961436
  H     18.84249572      8.21026430    -13.69314203
  O     15.43456413      6.55642947    -12.59475834
  H     11.62407584     11.16246917    -16.20221087
  H     17.11498394     10.09877984    -17.49750391
  O     18.16391825     11.06872134    -12.45413603
  H     15.27366202      5.75772259    -13.10932292
  H     15.77502506     10.69127802    -17.01558609
  O     18.87603346     10.11298634    -16.79970004
  H     15.38982532      7.29029885    -13.22754134
  H     14.64568634      8.53095411    -15.06332366
  O     12.44233362      6.27773451    -14.77074690
  H     17.79683263     10.99847757    -11.55910685
  H     15.36655095      9.42674870    -14.00424874
  O     13.73491609      7.43726774    -10.61786316
  H     18.62835996     10.23769373    -12.61452949
  H     12.11359223     10.56263342    -13.79359991
  O     15.48372765     10.97920621    -13.17310882
  H     19.64714362     10.38074040    -17.29157947
  H     11.77498065      9.37695104    -12.85394611
  O     16.36023969      5.90722120    -16.38328979
  H     18.64409697     10.85442357    -16.21058936
  H     12.27294529      7.44891951    -11.64526656
  O     15.69615990      7.49075355     -8.65230618
  H     12.15712318      6.60008103    -13.90628812
  H     10.76286815      7.26322729    -11.89969602
  O     17.95914960      7.98017245    -15.22102266
  H     13.17258246      5.66471517    -14.62531042
  H     18.09187919     11.90316175    -14.21164335
  O     14.81126451      4.64877698    -14.53085337
  H     14.25617201      7.38630684     -9.80564090
  H     17.07706094     12.22917387    -15.34456085
  O     19.26947036      8.45758668    -12.85578936
  H     14.29274879      7.06384937    -11.31737916
  H     18.12247548      7.85507643    -11.47094054
  O     16.16273202     10.06841083    -17.64435499
  H     14.94536647     10.79139705    -12.39363375
  H     16.74144490      7.17394381    -11.48943527
  O     15.37700860      8.56228601    -14.43640286
  H     16.40687238     11.01625787    -12.89081735
  H     15.80375432     10.45897303    -10.28922529
  O     11.99389729     10.31640157    -12.86973359
  H     15.92212934      6.43551556    -17.06235083
  H     16.92725556      9.41437119    -10.39128485
  O     11.58555996      7.48487026    -12.33084024
  H     17.05543368      6.47103163    -16.02265395
  H     15.48450021      8.54979131    -18.06047720
  O     18.00977480     12.06990948    -15.15928907
  H     16.39829658      7.42681435     -9.31749622
  H     14.98509674      7.58466771    -19.16512085
  O     17.37002430      7.63066800    -10.91163784
  H     15.89206481      8.28584009     -8.15767317
  H     13.21455169     10.43508053    -11.54696990
  O     16.75617886     10.34339772    -10.18450671
  H     18.30793567      8.65017746    -15.82350340
  H     13.92836418      9.30607413    -10.78577206
  O     15.07153073      7.68052312    -18.22056713
  H     17.04617759      8.23066413    -15.00749072
  H     14.15873330     11.75542103    -15.85300265
  O     13.97910619     10.25093951    -10.97839848
  H     14.86855945      3.70544714    -14.65588619
  H     15.22766381     11.63767104    -14.77849288
  O     15.10668399     11.86535774    -15.71400231
  H     15.36712828      5.05711290    -15.21885250
  H     13.74012018      8.09406378    -17.00694351
  O     13.22027401      8.39758306    -16.25312539
  H     20.18824402      8.21144409    -12.93074699
  H     12.86322819      7.61951469    -15.79606005
          69
 Ord_Energy   -248.274918    
 O   -4.52435493      -10.1127243       4.95342922    
 H   -4.00006676      -9.39567757       5.32370806    
 H   -5.29093409      -9.69888783       4.53168440    
 O   -9.78126049      -7.54902363       7.25077152    
 H   -9.69847298      -7.49692154       8.21270561    
 H   -8.89849186      -7.80488348       6.95299816    
 O   -4.90955544      -8.52801514       8.50636768    
 H   -5.61165380      -8.54317760       7.83747101    
 H   -5.19806290      -7.87776661       9.16019249    
 O   -3.18418813      -7.97498035       6.38208628    
 H   -2.25169182      -8.00195885       6.58525896    
 H   -3.65546346      -8.16107559       7.20911264    
 O   -9.85636711      -11.7332344       7.30921221    
 H   -10.4228859      -11.1245432       6.81901312    
 H   -9.37174511      -12.2476683       6.65095234    
 O   -5.86883593      -12.0756607       6.34832668    
 H   -5.33111525      -11.4536524       5.83553648    
 H   -5.66412783      -11.9098186       7.27337790    
 O   -8.20985889      -6.78129482       3.16353130    
 H   -7.56285095      -6.06531286       3.13975120    
 H   -8.89789104      -6.51575422       3.79003477    
 O   -8.20435047      -4.24019527       5.65950203    
 H   -7.63376236      -4.24882412       4.88110733    
 H   -9.02126503      -4.68408585       5.39889288    
 O   -6.34187031      -4.72828436       3.49928331    
 H   -5.87472773      -4.11074114       2.94322252    
 H   -5.68788433      -5.10140657       4.11703444    
 O   -6.19827318      -6.49835157       9.97227764    
 H   -6.37812948      -6.06149626       9.12051868    
 H   -6.04454947      -5.80471087       10.6087322    
 O   -6.69815397      -5.69386339       7.42341328    
 H   -6.90183878      -6.60292625       7.16354942    
 H   -7.28072548      -5.11201334       6.91254711    
 O   -4.70872211      -5.74277878       5.41572189    
 H   -5.27847815      -5.63028383       6.18838739    
 H   -4.12070131      -6.47553587       5.62650633    
 O   -6.98218584      -9.03163910       4.19393969    
 H   -7.67642546      -9.69341564       4.06753254    
 H   -7.30250311      -8.21484661       3.78887486    
 O   -10.0503492      -8.70654202       2.16167808    
 H   -9.72215652      -9.51156616       2.58398485    
 H   -9.36353874      -8.03915215       2.29160547    
 O   -12.0946608      -7.90357399       3.75564289    
 H   -12.9292679      -7.83583117       3.30016899    
 H   -11.4358845      -8.19197655       3.09817266    
 O   -10.2689304      -6.07211018       4.96145439    
 H   -10.9982710      -6.53531408       4.53270340    
 H   -10.1681242      -6.48873901       5.83020639    
 O   -8.86643791      -7.80244923       9.84356499    
 H   -8.63113594      -8.71151924       9.60747910    
 H   -8.03027916      -7.35506058       10.0087194    
 O   -8.04205704      -10.2485313       8.68836689    
 H   -7.26208448      -10.7605200       8.92537785    
 H   -8.69579792      -10.8411207       8.28636646    
 O   -5.39983749      -11.2253618       9.06698990    
 H   -4.89191294      -11.5983925       9.78332520    
 H   -5.09710264      -10.3105850       8.95324326    
 O   -7.14345551      -8.42021084       6.84518242    
 H   -7.49286842      -9.13574791       7.39969349    
 H   -7.04786301      -8.71437836       5.92900753    
 O   -9.15301323      -10.7136059       3.95958757    
 H   -9.78122425      -10.3527279       4.60174513    
 H   -8.84962559      -11.5600195       4.31135464    
 O   -8.20377922      -12.9562731       5.33145189    
 H   -7.34627628      -12.6632719       5.69077539    
 H   -8.10204792      -13.8725243       5.08927441    
 O   -10.9967051      -9.59735680       5.77254915    
 H   -10.6525936      -8.92899132       6.38147116    
 H   -11.5323448      -9.11353874       5.13206673    
          69
 Energy    -248.27490241646467     
  O      2.28509464     -2.31211850     -2.89014719
  H      3.10967350     -2.29346947     -2.37235491
  H      0.83837133     -6.67956943     -2.08634774
  O     -1.68273098     -0.78427229      2.15108021
  H      2.52029616     -2.08558535     -3.78621128
  H      3.81401191     -4.91686890      0.21953510
  O     -1.34953824     -4.80939568     -0.73926597
  H     -1.90351554     -1.28499075      1.34383273
  H      2.54890606     -5.53864800      0.92353909
  O      2.09339970     -4.29217233      4.06928374
  H     -2.47860137     -0.32994262      2.41443342
  H     -1.06435328     -5.19492384      1.00835813
  O      5.02189766     -0.30938764      0.62709928
  H     -1.77482303     -5.60898211     -1.07274918
  H     -0.85500480     -4.64002867      2.43941311
  O     -1.48371347     -8.09861473      1.10211761
  H     -0.49679681     -4.73858427     -1.19008473
  H      5.28174120     -2.58462223      2.87485766
  O      1.66676705     -6.43767156      2.20036319
  H      2.07242211     -5.10956478      3.55857087
  H      5.74337960     -1.77296711      1.64665208
  O     -2.06948277     -2.14318406     -0.16149861
  H      1.24488658     -3.85498521      3.91252963
  H     -0.78019504     -2.24925489      2.98000550
  O      0.32411371     -1.22469156     -1.17799741
  H      4.21808019     -0.35978011      1.17260747
  H      0.39520115     -2.95810170      2.29867700
  O      1.48155013     -2.71102839      0.91196945
  H      5.27209819      0.60995846      0.58825809
  H      4.18241325     -2.23269822      5.14206860
  O      2.84129997     -0.72205912      2.21601477
  H     -1.88248829     -7.92747333      0.23952766
  H      3.33480384     -3.09469366      4.18049920
  O      0.51675732     -7.58463710     -1.98028131
  H     -1.43613038     -7.24136259      1.54719847
  H      0.17956847     -8.58766789      0.83286910
  O      2.85374264     -4.99836322      0.18154860
  H      0.76174226     -6.09329014      2.14187860
  H      1.30178736     -9.64769068      0.73582398
  O     -0.92059658     -5.45709462      1.92957640
  H      1.64058216     -7.30325661      1.77388799
  H     -1.22696222     -7.52025601     -1.81584758
  O      5.87151836     -2.60975621      2.11064975
  H     -2.00297338     -3.08971517     -0.33537054
  H     -2.68506752     -7.74417906     -2.29009644
  O     -0.20501718     -3.01804466      3.06040698
  H     -1.33366527     -1.75209436     -0.65570888
  H      6.37560225     -4.95285438      0.04073450
  O      3.97785439     -2.36405163      4.22006043
  H      1.02426119     -1.39039258     -1.81868900
  H      5.72662075     -3.85040315      0.91354355
  O      1.12561745     -8.71573347      0.63549100
  H      0.54749410     -0.46600968     -0.61709049
  H      1.37688981      0.31126108      1.48546785
  O     -2.16265537     -7.37739185     -1.58248383
  H      1.03336868     -2.32100657      0.15113362
  H     -0.15585834      0.19809761      1.41068904
  O      5.57319237     -4.45357926      0.16411068
  H      2.00490319     -3.46562789      0.61660388
  H      1.47425117     -4.01337254     -2.41865941
  O      0.61523896      0.53874594      0.93849323
  H      2.37548694     -1.42647755      1.73657172
  H      1.81679463     -4.94380283     -1.23764824
  O      1.19105650     -4.81616104     -1.96821060
  H      3.18748176     -1.13609781      3.01543270
  H      4.92977450     -3.03538081     -0.99066000
  O      4.53987474     -2.25089121     -1.39234984
  H      0.88972415     -7.92495520     -1.15815106
  H      4.71718745     -1.52601858     -0.77998339
          69
 Energy    -248.27471070792890     
  O     -5.93392012      4.18795130     -1.19780707
  H     -6.70220469      3.94268058     -1.70952816
  H     -4.34504881      0.04405590      2.41537583
  O     -1.92657525      3.38117947     -3.64493575
  H     -5.92218588      3.58638717     -0.43902111
  H     -0.42824544      2.16347639      1.77427211
  O     -5.49849019      2.30609044      0.81913196
  H     -2.42170276      3.96423828     -3.03881016
  H      0.72873461      1.36857695      2.41755406
  O     -3.31977239     -0.87789929      1.16992466
  H     -1.88390087      3.83005807     -4.48491451
  H     -0.47238515      2.96701456     -0.47092214
  O     -0.43573377     -0.42653928     -1.58656803
  H     -5.49341300      1.76668950      1.62365018
  H     -1.18897547      4.06207614      0.40643199
  O     -3.74331850      1.33373653     -2.81393450
  H     -4.63116279      2.14810784      0.40896907
  H      2.24925559     -1.61745591      0.20499947
  O     -4.84547081     -2.02825640     -0.88388027
  H     -2.38814624     -1.13350134      1.20307261
  H      2.61891289     -2.62848710      1.31803125
  O     -2.76196739     -1.29357310     -2.72437583
  H     -3.77009023     -1.40833580      0.50019617
  H      2.40630182     -0.00249768      1.67280002
  O      0.08131526      2.23942278     -2.03454122
  H     -0.53484764     -0.59513092     -0.64094305
  H      2.49227816      1.32797886      0.90370573
  O     -0.56716546     -0.95717211      1.18754138
  H     -1.20445736     -0.80935710     -2.03321076
  H     -2.26976212      2.29470793      4.84422786
  O      2.30536766     -0.94007840     -1.40769727
  H     -3.22112305      1.98596231     -3.29112121
  H     -1.66478093      1.90684938      3.48039929
  O     -4.78561816      0.72640769      2.94217465
  H     -3.46660510      1.41701824     -1.88609458
  H     -6.03196217      0.99815136     -0.63421474
  O     -0.22534092      1.52431909      2.47530393
  H     -5.33895579     -1.20928880     -1.06692449
  H     -5.38496209      0.79286041     -2.02100607
  O     -0.84454206      3.16075503      0.40008073
  H     -5.47520922     -2.74318555     -0.92289362
  H     -2.30753169      2.10072664      0.09919814
  O      2.10760164     -1.84379241      1.14204015
  H     -3.42501758     -1.71212273     -2.16405367
  H     -3.05821565      0.73117441      0.32081869
  O      2.36433901      0.95524812      1.78473043
  H     -3.12023615     -0.41880812     -2.93161691
  H     -2.78899257      5.15129028      1.22826531
  O     -2.48198584      2.19465781      3.91886686
  H     -0.15210035      1.30225556     -1.93468966
  H     -2.02969846      6.46942554      0.93699045
  O     -6.00802675      0.40300627     -1.39097839
  H     -0.53585255      2.62837702     -2.66635702
  H     -2.94998765      5.22672584     -1.09872680
  O     -3.06575303      1.56746799     -0.16433810
  H     -0.48567410     -0.12098723      1.66798412
  H     -4.24846033      4.67582291     -1.72833209
  O     -2.19399941      5.59470957      0.59596655
  H      0.28928266     -1.39722911      1.25248240
  H     -3.30773229      3.54732825      2.87744905
  O     -3.32370647      4.88613365     -1.91896629
  H      2.59781730     -0.02295722     -1.34205360
  H     -4.47067212      3.66674511      1.87574292
  O     -3.74845227      4.16140808      2.27628457
  H      1.36928444     -0.88766148     -1.64982131
  H      1.77726649      2.08792539     -1.39519700
  O      2.62418362      1.88141331     -0.96811412
  H     -4.06994512      1.18647204      3.39608851
  H      3.25685952      2.51379814     -1.30096290
          69
 Energy    -248.27467199192887     
  O     17.15286688      8.03381546    -14.03533827
  H     17.17471338      7.55749117    -14.87401041
  H     12.23757762     11.74872491    -15.33124574
  O     16.96231727     11.16353214    -10.97515938
  H     16.45961674      8.70899448    -14.09386397
  H     14.84438233     10.00916273    -13.01566245
  O     15.32992619     12.53508594    -14.88088100
  H     17.22855803     10.79471601    -10.12361960
  H     15.19143519     10.80068945    -14.29882395
  O     15.73805635      7.66172701     -8.93224035
  H     16.02435307     10.93940576    -11.07610490
  H     11.75113301      9.39544248    -12.65704188
  O     15.76824867      6.24864477    -12.40894537
  H     15.92618860     12.86520851    -14.19593573
  H     12.18330551      8.36216229    -13.71562548
  O     14.36106060     10.38793594    -11.31327979
  H     15.87410533     12.25565770    -15.62914530
  H     19.19355709      8.45515995    -11.04994713
  O     15.58165238      8.87682599    -17.27055539
  H     16.27530166      6.92771057     -9.25582889
  H     18.71641211      8.56465795     -9.59434172
  O     17.48396108      5.78329209    -10.22118659
  H     14.95676277      7.67952766     -9.49970788
  H     15.29318763      5.99718348    -15.51047427
  O     17.04199250     11.29038388    -16.73321734
  H     16.34203670      5.94762856    -11.69362225
  H     14.82083535      5.87282824    -14.05157608
  O     16.86874292      6.64496237    -16.45719449
  H     16.29673117      6.86510167    -12.93634729
  H     17.41072701     14.01047171    -12.42145441
  O     18.70706245     11.49078367    -14.59732127
  H     13.50599517     10.79002709    -11.51510459
  H     17.13141507     12.51996709    -12.12794040
  O     12.52232433     12.32134586    -14.60457282
  H     14.19889733      9.45637248    -11.10136702
  H     18.28977252      8.95811167    -13.04746599
  O     15.12843040      9.90998932    -13.93347669
  H     14.74614072      8.86342447    -16.79240196
  H     18.15944675     10.10740965    -12.00979843
  O     11.87622527      8.44981571    -12.80742622
  H     16.01378723      9.71704655    -17.07149729
  H     16.80619281      9.02237565     -8.69914699
  O     19.11883049      7.95608432    -10.22597492
  H     18.13453928      6.50721380    -10.25919823
  H     17.57473782      9.92988296     -7.71019445
  O     14.50185458      5.95942225    -14.95910474
  H     17.94017556      5.02078494     -9.87568313
  H     13.92698568      8.94949048    -14.82104043
  O     17.19511878     13.17996001    -12.83861339
  H     17.69821016     11.28142933    -16.01336425
  H     13.63366282      7.48799369    -15.27578381
  O     18.80064107      9.58176175    -12.50741552
  H     17.47903016     11.66096341    -17.49645272
  H     13.06099926      7.83652686    -11.57403737
  O     17.49104041      9.71314672     -8.63484923
  H     16.44104925      7.41938075    -16.86572273
  H     14.46227027      7.16185540    -11.52404901
  O     13.33725371      8.40602937    -15.36675011
  H     17.38698411      6.22189092    -17.13569765
  H     12.08218871     11.69054982    -13.07446097
  O     13.84316023      7.70724194    -11.01808159
  H     18.32251158     12.18687980    -14.05094670
  H     11.13937663     11.74485380    -11.84771058
  O     11.87896298     11.27152419    -12.21834167
  H     18.92919693     10.78519520    -13.97682059
  H     12.27512474      9.62927711    -16.17277775
  O     11.83976769     10.42344884    -16.51961892
  H     13.45204297     12.52659186    -14.76107344
  H     11.20806578     10.11683240    -17.16532360
          69
 Energy    -248.27462324217026     
  O     12.65877551     12.15224584    -14.50804964
  H     12.62298295     11.43195088    -15.14979881
  H     16.75376478     10.94130818    -14.53865301
  O     18.43870992      7.55416605    -14.03824382
  H     13.18996107     12.83979430    -14.92656106
  H     15.71670172      9.18233958    -18.84868860
  O     18.39074249     11.73916942    -11.39987456
  H     17.94859790      6.72492678    -14.10407049
  H     16.72026452      9.69673056    -19.90855384
  O     15.99966425     14.38238538    -13.53608519
  H     18.42264528      7.94587152    -14.91840839
  H     15.08675659     10.85441186    -12.82468599
  O     16.70448468      5.28823660    -14.24130406
  H     18.33051965     10.78378798    -11.52925452
  H     16.36706138      9.93487747    -12.72415661
  O     15.71677822      7.85270392    -10.25366054
  H     17.71649404     11.95516625    -10.74109118
  H     13.97891458     10.60682741    -16.62718905
  O     14.87418035      6.37849784    -12.56599990
  H     16.89364978     14.02941581    -13.62276766
  H     13.42550473      9.46835468    -15.72021853
  O     13.65874033     11.70380854    -12.01422398
  H     15.54433445     14.22672680    -14.37168932
  H     17.16568542      8.53964264    -11.28073403
  O     14.33269790      8.26316302    -18.32145524
  H     16.04907315      5.60258263    -13.59237039
  H     18.02733127      8.50835312    -12.59219947
  O     17.83014719      8.88789377    -16.56330944
  H     16.80085475      4.34975673    -14.10695351
  H     14.39262056     14.98181601    -10.91701934
  O     15.80315022      6.97576295    -16.30244409
  H     15.87128444      7.46418395     -9.39530087
  H     15.22017971     14.27507314    -12.01842109
  O     17.37868380     11.26528170    -15.20689759
  H     15.15370007      8.62990383    -10.10969453
  H     18.55013404     12.69637658    -12.80137380
  O     16.50650969      9.73804782    -18.98059720
  H     14.45238387      7.03335586    -13.13897248
  H     19.42692527     13.66633375    -13.63075329
  O     15.69650785     10.29591973    -13.32081379
  H     15.11433049      6.83951261    -11.75455161
  H     15.60209492     11.49295829     -9.61759628
  O     13.18404740     10.09764179    -16.41657439
  H     13.95300396     12.57576836    -11.71950615
  H     15.75390793     12.94312647    -10.10731921
  O     17.70960185      9.07307792    -11.87058409
  H     13.19604059     11.82283269    -12.85748567
  H     16.18830951     11.56793720    -16.46994270
  O     14.74301918     14.13545265    -11.17960620
  H     14.73423291      7.64477067    -17.69466619
  H     15.81338238     11.13287504    -17.90161416
  O     18.58978144     13.21123679    -13.62973479
  H     13.73365479      8.81471834    -17.80332552
  H     13.88322343     10.61426931    -10.65524669
  O     16.23412007     12.21469779     -9.69165917
  H     17.78022717      9.71140437    -16.05574868
  H     13.41276707     10.17979244     -9.25272231
  O     15.50166637     11.65037893    -17.15044300
  H     17.56436006      9.12475008    -17.46022381
  H     14.20245829     14.55595926    -16.53106031
  O     14.14281790     10.11129739     -9.86401724
  H     16.10286234      6.26341186    -15.72485928
  H     14.83088189     13.14826351    -16.44883137
  O     14.48953654     13.88511386    -15.91573633
  H     16.53390750      7.60769959    -16.37136708
  H     14.71717934      7.84973953    -15.12230380
  O     14.16674237      8.32991418    -14.48680253
  H     17.91385171     11.94135110    -14.77642152
  H     14.72664401      9.00733520    -14.07758870
          69
 Energy    -248.27459209883426     
  O     12.15305875     11.89833043    -15.43358794
  H     12.78638409     12.53595109    -15.08805822
  H     14.90937017      6.49216812    -18.59574052
  O     15.72360834      7.33022882    -13.59638302
  H     11.82118022     11.39246547    -14.67737315
  H     18.59221984     10.43850940    -12.99672719
  O     16.45285089     11.44522366    -10.94849059
  H     15.39528369      8.12033968    -14.05414100
  H     18.00167069      9.09829914    -12.50692543
  O     16.87307901     12.96796010    -14.74867414
  H     16.12526187      7.65928110    -12.78343148
  H     17.46670649     10.14681289    -16.34886162
  O     12.78931781      8.35026467    -16.50455990
  H     15.75974132     11.41153633    -11.62949355
  H     16.26359618     10.57467384    -17.26518352
  O     12.71676371     10.23350757    -10.81292009
  H     17.22505825     11.82623147    -11.38203924
  H     14.05537664      9.26747724    -15.41995848
  O     13.27358946      6.50640510    -12.53844001
  H     16.84114336     12.26354465    -15.41187456
  H     15.44267735      9.99047846    -15.42088300
  O     14.41897201     11.26792458    -12.74386392
  H     15.96999783     13.28844359    -14.64887424
  H     11.24735967      9.37114565    -13.57703421
  O     16.79953824      6.85830314    -16.12508947
  H     13.44741604      7.85780618    -17.01340570
  H     11.58914038     10.29004471    -12.39026274
  O     14.00681597      7.76632841    -10.27862837
  H     12.54945054      9.13141459    -17.02212040
  H     11.82653802      7.82262313    -15.12547526
  O     18.74595373      8.89876175    -15.81686576
  H     13.11090886     10.83747385    -10.16648928
  H     10.53705417      7.16602261    -14.58260611
  O     14.86595750      7.20967200    -17.96967618
  H     13.08826617      9.36293056    -10.61889793
  H     17.91035263     12.57556766    -13.43079125
  O     18.56796543      9.49050933    -13.17989682
  H     12.57882059      6.83692771    -13.11985506
  H     19.21921540     12.89542665    -12.66961043
  O     16.73120618     10.76556730    -16.43823540
  H     14.11140565      6.64615183    -13.00276272
  H     16.57244942      9.58788307    -11.04740502
  O     14.77368848      9.57714561    -14.85787748
  H     13.75045147     10.90566425    -12.14867590
  H     15.75676129      8.30775110    -10.81811573
  O     11.28345540     10.29594213    -13.30508986
  H     14.51579159     10.65444601    -13.48629660
  H     15.15261538     11.74809420     -9.67507020
  O     11.34114116      7.60325438    -14.31222335
  H     17.53160811      7.48655295    -16.10367569
  H     14.53897776     12.23343856     -8.35203449
  O     18.47740538     12.29744059    -12.68792190
  H     16.46502268      6.82741766    -15.21823952
  H     15.06730842      9.06211914    -18.45420192
  O     16.56258635      8.63923562    -11.23522727
  H     13.69274955      7.26301217    -11.05196688
  H     14.23182461     10.35725821    -18.36890924
  O     14.31958900     11.82031012     -9.18310735
  H     13.85134793      7.21965033     -9.51286651
  H     14.20917673     12.79513837    -13.56765600
  O     15.12530125     10.02357312    -18.51859176
  H     18.70087231      9.06491635    -14.85764873
  H     13.82619482     14.29270578    -13.61146373
  O     14.12595501     13.56772609    -14.15503046
  H     19.67076553      8.85671574    -16.04488424
  H     12.32654702     11.22265599    -16.98496381
  O     12.42510818     10.75450958    -17.83553069
  H     15.57726493      7.05789566    -17.32122981
  H     11.78835908     11.13624574    -18.43305159
          69
 Energy    -248.27455280271437     
  O     16.43845418     11.08978948    -13.21463666
  H     16.87335466     10.73399932    -12.42897466
  H     14.79123588      5.51091948    -13.68526875
  O     15.86455052      9.78955089     -7.43554543
  H     15.80160206     11.73593349    -12.88792317
  H     11.57227079     11.07181650    -12.29956101
  O     16.02161713      6.07895429     -9.36935941
  H     16.79940247      9.65867094     -7.63127475
  H     12.59443656     11.01185892    -13.44473584
  O     12.40955883      5.81766001     -9.28819062
  H     15.55587699     10.44930823     -8.07076379
  H     15.94196968      7.60041090    -14.78330530
  O     18.52779283      6.62735137     -8.37867184
  H     15.52272099      5.34551945     -9.75074079
  H     16.38342202      6.94882285    -13.47007653
  O     17.21970197     10.01080498    -10.73503277
  H     15.38237705      6.68247123     -8.96248845
  H     18.61790357      8.37867820     -8.34201928
  O     14.49946432     12.84873119    -11.98943921
  H     13.01695806      5.20873569     -9.72505462
  H     19.35056457      9.66637044     -7.89777440
  O     10.48766972      9.44333911    -11.70105095
  H     12.95670130      6.42005380     -8.76819112
  H     14.73675234      8.41001285     -7.80315758
  O     14.92460892     11.24000316     -9.71448441
  H     19.07914489      5.85076562     -8.42646569
  H     13.59654590      8.35435993     -8.83562855
  O     13.84783870      8.10917299    -12.17141779
  H     17.64978069      6.35325492     -8.68972760
  H     14.10285903      9.62586336    -14.93097557
  O     10.31259536      6.78530866    -10.67654894
  H     16.41660062     10.40692901    -10.36584625
  H     13.51851114      9.11799540    -13.60074542
  O     14.18765059      4.94702431    -13.18117677
  H     17.80578564      9.84117253     -9.98785364
  H     11.23262467      6.36697387    -12.26133704
  O     12.21530476     11.60340300    -12.77886022
  H     13.64361150     12.45876258    -12.24055949
  H     11.39019258      6.98974647    -13.66131512
  O     15.99782549      6.74987514    -14.33601505
  H     14.41918495     13.79044824    -12.11662182
  H     10.25950826      8.78437607    -15.23903185
  O     18.57680040      9.35045494     -8.35702397
  H     10.34437593      8.59174008    -11.26499964
  H     11.65419552      8.96767758    -14.59405695
  O     14.14131173      7.79860269     -8.26041004
  H     10.47857119      9.23165859    -12.64318469
  H     14.34699555      4.44338910    -11.54434294
  O     13.29042511      9.59810939    -14.41321435
  H     14.14116589     10.67602273     -9.79107223
  H     14.38433803      3.24188666    -10.57223460
  O     11.77227460      6.33697246    -13.06173743
  H     14.82377126     11.92217471    -10.38934072
  H     16.14408444     10.07450917    -14.60174134
  O     10.76973612      8.58538920    -14.45847639
  H     13.30537915      7.34801845    -12.40926969
  H     16.45100028      9.77308016    -16.08612231
  O     14.37494287      4.19481081    -10.60258178
  H     14.76734992      7.82501012    -12.09235459
  H     11.93483804      9.62625762    -10.38689174
  O     15.89443499      9.51177117    -15.35756385
  H     11.04654784      6.46268920    -10.12276291
  H     13.25426434      8.98547653    -10.80237101
  O     12.82630918      9.45880528    -10.06891658
  H      9.52218669      6.36158523    -10.35200863
  H     16.43654137      6.96177933    -10.92519128
  O     16.53135936      7.50859421    -11.71493941
  H     13.29452121      5.28929742    -13.31612785
  H     16.83275696      8.37763152    -11.41790938
          69
 Energy    -248.27446009715302     
  O     11.65649217     10.85666429    -15.20968619
  H     12.02379431     11.65307832    -14.80925032
  H     16.03815273      6.69518597    -15.09136227
  O     15.52221762      7.13802844    -13.41899494
  H     12.32527323     10.52264641    -15.82335643
  H     18.25975027      8.77867866    -13.61416321
  O     16.73229754     11.07537000    -11.45826751
  H     16.07096859      7.18443821    -12.62686882
  H     17.99074838      8.25279005    -12.18010245
  O     16.95046743     11.91298681    -14.23482440
  H     14.65905826      6.81806209    -13.12851699
  H     15.73601454     12.89698754    -15.20166511
  O     13.62545764      7.01624885    -17.08622388
  H     17.20974240     10.38828047    -11.95494193
  H     15.10221048     12.68524830    -16.58459682
  O     13.82415290      8.09908807     -9.24244490
  H     15.80973489     11.09090134    -11.75175970
  H     15.38566598      8.81690452    -14.12836156
  O     13.14173170      6.30099497    -12.28165570
  H     16.42125130     11.10550537    -14.35259582
  H     14.70942031      9.69800255    -15.23493991
  O     14.04938329     11.02099927    -12.37079739
  H     17.11799661     11.96874607    -13.29093209
  H     10.92549830      9.65130360    -14.24806639
  O     17.91149424     10.79683709    -16.60975630
  H     13.25476918      6.44616019    -17.75477757
  H      9.62237449      8.98967989    -13.73593522
  O     14.65117274      5.62569270     -9.97276949
  H     13.07721160      6.90130859    -16.28851395
  H     16.75834841      7.89268670    -10.37177729
  O     18.46022688      8.25143953    -15.47451252
  H     13.24504154      8.45667777     -9.92838736
  H     16.25944811      6.46361256    -10.63472170
  O     16.28882309      6.71491457    -16.02759695
  H     14.60783393      8.66239259     -9.21793777
  H     12.42791882      6.40485537    -14.02219091
  O     18.15438059      9.05092440    -12.69481662
  H     12.87910324      7.18986678    -11.99691604
  H     11.51960280      7.50710290    -14.56702289
  O     14.99216436     13.16836795    -15.75918574
  H     13.57824880      5.88792831    -11.52729746
  H     16.50903358     10.09158725     -9.99929788
  O     15.24003578      9.72273061    -14.42915384
  H     14.40458440     10.51378956    -13.11942989
  H     16.86523143      9.69221752     -8.55143375
  O     10.57283849      8.92539208    -13.70081410
  H     13.63749741     11.80199172    -12.75918476
  H     15.86430214     11.69158233    -18.85695847
  O     16.87657671      7.13253970    -10.95745164
  H     17.80595250     11.32225783    -15.80521113
  H     16.48598784     11.14436619    -17.55149765
  O     12.10726246      6.79434186    -14.84545549
  H     18.13332703      9.90891850    -16.30293147
  H     12.97955685      9.67374503    -11.78120008
  O     16.36623769      9.41555813     -9.31613520
  H     14.53001339      4.97513577     -9.28662011
  H     11.68732399      8.93764454    -12.19952443
  O     15.64550546     11.38552845    -17.98100727
  H     14.32267941      6.47400459     -9.62041548
  H     13.65824364     13.15942964    -14.64932330
  O     12.41735050      8.91544567    -11.56736047
  H     17.70157090      7.70658233    -15.74740281
  H     12.61024584     13.95369858    -13.83594872
  O     12.95230257     13.07608902    -13.98297318
  H     19.24407428      7.75556581    -15.69942798
  H     14.35009246     10.27100977    -17.31118797
  O     13.71974300      9.78740755    -16.76093608
  H     15.45786435      6.78740188    -16.50865526
  H     13.71026804      8.85961724    -17.02930169
          69
 Energy    -248.27440164417743     
  O     16.42042091      7.68698227    -13.26230779
  H     16.15208992      6.78288095    -13.03953988
  H     12.70439602      9.21288270    -14.62930456
  O     12.98272576     12.14019362    -10.10144921
  H     15.78356711      8.26895687    -12.81909472
  H     17.47590550     10.44729146     -7.30837923
  O     15.69704420      8.59730861    -15.74629398
  H     13.37822769     11.50560959     -9.47494523
  H     17.31104000     10.57256502     -8.84012378
  O     11.35642082     10.36558409    -11.70746225
  H     12.58172242     12.82873440     -9.57780535
  H     14.57452274     12.17431694    -11.13638410
  O     15.30828059      5.36538660    -12.39717403
  H     15.42250657      9.51784330    -15.63919827
  H     15.13764492     10.89135164    -11.76141742
  O     18.44599610      8.75757199    -11.72648415
  H     15.99987342      8.26441750    -14.88434366
  H     17.84911805      7.91066551    -10.15326735
  O     20.28719360      9.80782745    -13.58192533
  H     11.86976168     10.98819148    -11.17929915
  H     17.22579350      8.39512783     -8.82698294
  O     17.77321728     11.14884902    -10.45342021
  H     11.72165370     10.39463671    -12.60248617
  H     15.51997736     11.73619995    -14.99269535
  O     11.15361048      7.69983499    -11.22734483
  H     15.34484472      5.39556910    -11.43434925
  H     14.74955922     11.84470013    -16.32564961
  O     12.74604192      6.19365780    -13.11114541
  H     14.38868642      5.55780634    -12.63590512
  H     15.50905235      5.11390151     -8.92312054
  O     13.09027843      7.65500681    -15.58424481
  H     19.19148069      9.02249490    -12.27808974
  H     16.13027934      6.41624666     -9.48291211
  O     12.76606894     10.01730155    -14.09755830
  H     17.79587027      8.35111097    -12.31872616
  H     13.85189582      9.43898652    -12.68142554
  O     16.96316187     10.12937407     -8.04745617
  H     19.60067588      9.84058243    -14.27257602
  H     14.21534623      8.80170648    -11.29237797
  O     15.33484032     11.83131732    -11.61806177
  H     21.09927401      9.55427212    -14.01183523
  H     17.71140689     10.78344480    -14.85651119
  O     17.37203597      7.61102010     -9.36875010
  H     17.98242680     10.32118485    -10.91369067
  H     17.53730858      9.46441752    -15.63230991
  O     14.81418122     11.33088250    -15.52384497
  H     16.92856646     11.46656571    -10.80313198
  H     12.70549748      7.69014830    -10.20074865
  O     15.37182300      5.80876421     -9.56119911
  H     11.15597747      8.66262082    -11.37377077
  H     14.09053596      7.11482892     -9.72908973
  O     14.57097887      9.26872505    -12.05985285
  H     10.26190695      7.46000658    -10.98952048
  H     19.77107328     11.56959933    -12.92176715
  O     18.19967221     10.07858845    -15.30228574
  H     12.15395735      6.70002389    -12.54366522
  H     18.89855753     12.07878144    -11.76344447
  O     13.56857539      7.92087269     -9.83492943
  H     12.80075749      6.66565364    -13.94977206
  H     16.25366782     12.15516731    -13.12965366
  O     19.25709283     12.33031596    -12.62417185
  H     14.02890253      7.86441128    -15.72033143
  H     17.70728843     12.39824605    -13.57720789
  O     16.82185546     12.19765879    -13.91298688
  H     12.78373941      7.23873110    -16.38624482
  H     15.07564892     10.25606567     -8.27542549
  O     14.14024189     10.29822947     -8.50409407
  H     13.38267403     10.59988719    -14.55947920
  H     13.90846367      9.42825136     -8.85878167
          69
 Energy    -248.27420848428892     
  O     11.77651099     10.44768673    -14.01608693
  H     12.09351936      9.90893924    -14.75395417
  H     17.79874128      7.93885339    -18.01405436
  O     15.12822530      7.51986185    -15.68642361
  H     12.54703908     10.94300097    -13.72377608
  H     18.64007027      6.61052380    -14.35437116
  O     16.25253739      9.41000204     -9.53017037
  H     15.49453573      7.82768648    -14.84281343
  H     18.58264486      7.46358095    -15.64379065
  O     17.34275265     11.80775477    -14.08471313
  H     15.86115287      7.54226494    -16.31151004
  H     14.33694234     11.31330902    -14.71796945
  O     12.75514930      8.82916560    -16.19059932
  H     15.59660054      9.51958929    -10.23900730
  H     15.49329679     11.56556484    -13.75278531
  O     14.10841600      5.26162793    -10.24545979
  H     16.03008085     10.04173559     -8.85073094
  H     17.09383912      8.74257077    -13.34557090
  O     13.40383484      5.76710521    -14.40900520
  H     17.85518329     12.59956304    -13.94232960
  H     15.69577313      8.64181514    -12.66539236
  O     14.49970532      9.54363394    -11.62410940
  H     17.89990442     11.06087087    -13.80212075
  H     10.88604313      9.00691959    -13.27613888
  O     16.80585597     10.61554399    -16.64197901
  H     13.59995200      8.37788609    -16.03853476
  H     11.36283282      7.75664195    -12.51964432
  O     15.14707298      4.25532884    -12.74825398
  H     12.06799025      8.16012490    -16.08981936
  H     19.43139019      5.43260246    -10.56050642
  O     18.71740750      9.60443600    -13.36212549
  H     13.73559977      4.73656022     -9.54251747
  H     18.32348430      5.88566186    -11.54010801
  O     17.47755539      8.02585001    -17.12042570
  H     14.89197822      5.70858534     -9.87795284
  H     10.13980451      6.40831714    -15.74158353
  O     19.09088664      7.31500739    -14.83649836
  H     14.05489767      6.25385605    -14.93470705
  H     10.73207549      7.23173164    -14.57075559
  O     14.55126578     11.35154848    -13.77733986
  H     12.54175002      5.94484263    -14.80340987
  H     18.88504229      7.95166957    -10.66217700
  O     16.27480354      8.23156367    -13.31648796
  H     14.40182486     10.18037256    -12.34482624
  H     17.99106778      9.14917217    -10.28080977
  O     10.63914826      8.09502723    -13.06297029
  H     13.88031555      8.81015014    -11.75584731
  H     17.00105648      6.60133756    -13.10661625
  O     18.72456170      6.06280106    -10.67177874
  H     15.87079869     10.82692400    -16.75566624
  H     16.73289559      5.08680274    -13.00151656
  O     10.94682990      6.79741089    -15.41695528
  H     17.07342557     11.06188051    -15.83016713
  H     16.25459357      7.53063936     -9.30193946
  O     18.80694921      8.91120706    -10.73780296
  H     14.50340591      4.60606992    -13.37763194
  H     17.13642075      6.32837610     -9.70000275
  O     17.44383186      5.74073681    -13.06138363
  H     14.80388329      4.48161356    -11.87526947
  H     13.51106971     10.37866233    -16.59659375
  O     16.27910741      6.56660619     -9.32568285
  H     19.02510490      8.85332868    -13.89048295
  H     13.47107883     11.86290657    -17.02171329
  O     14.02454303     11.20350342    -16.60981168
  H     18.86568587      9.40757423    -12.42396949
  H     13.23142369      6.74207655    -12.83334371
  O     13.08247057      7.19051340    -11.98957215
  H     17.29483575      8.97249789    -16.97846264
  H     13.34798339      6.56223124    -11.30582717
          69
 Energy    -248.27413959142487     
  O     12.58946817     12.52482962    -13.68533643
  H     11.86943188     13.04617811    -13.33745874
  H     14.76046054      5.94497346    -15.35109254
  O     17.74897105      6.79996785    -14.42259556
  H     13.17801149     12.33254503    -12.93848194
  H     16.52765230     10.29037199    -14.57627832
  O     19.25873834     10.81516052    -12.50502224
  H     17.07763448      6.12784074    -14.25044395
  H     17.69510785     11.04814442    -15.28641341
  O     16.98400092     14.06436605    -14.02808700
  H     17.54192024      7.16823567    -15.28894237
  H     15.01338683      9.03129389    -19.86407883
  O     15.57949798      4.99766040    -13.94536821
  H     19.15408590      9.86035416    -12.43732724
  H     14.24103679      8.80186967    -18.54333319
  O     15.54818211     10.52238769     -9.54153178
  H     18.84347461     11.20237101    -11.72067863
  H     14.78466021      9.37198449    -13.48835490
  O     14.39349412      6.56023698    -12.08235295
  H     16.20826113     13.93442137    -14.59356765
  H     15.93976599      9.30078309    -12.46506084
  O     14.49705942     11.95848461    -11.72640339
  H     17.68189159     13.48384225    -14.35058575
  H     13.37842274     10.74943731    -16.16379249
  O     12.85219474      8.29039852    -17.59291855
  H     15.53195489      4.07213284    -13.72329421
  H     12.43790926     11.16524075    -15.01564338
  O     16.36432859      8.23709144    -11.01118349
  H     15.14644921      5.48573590    -13.22149936
  H     18.48851904      7.58834123    -13.05379695
  O     16.69492398      8.08176679    -16.78267963
  H     15.05517348     11.01295517    -10.21818450
  H     19.63416253      7.49177055    -12.02071706
  O     14.45147635      6.66303365    -15.91636696
  H     15.02423751     10.55311913     -8.74449802
  H     16.59779038     14.10102909    -12.39402125
  O     16.94785713     10.45641986    -15.43269193
  H     13.86999180      7.19305228    -12.59067125
  H     16.27496724     14.95163968    -11.14130575
  O     15.08242262      9.12003109    -18.91744656
  H     15.05744408      7.07991070    -11.60811048
  H     19.86279712     12.40921152    -15.13374843
  O     15.55039329      9.85830153    -13.14944407
  H     14.92733148     11.29290470    -12.28731736
  H     19.15583546     11.71640563    -13.94016350
  O     12.60120259     10.46550157    -15.65936471
  H     15.09354544     12.71713608    -11.65158498
  H     17.20885049     11.44745451     -9.94173589
  O     18.85679249      7.99544774    -12.24918400
  H     12.53357678      8.96986171    -16.98722244
  H     17.46495434     12.74857850    -10.70956757
  O     16.31912282     14.05474847    -11.45956278
  H     13.23613564      7.59340940    -17.04283871
  H     14.96202743     10.69317976    -17.82638360
  O     19.00547317     12.19421711    -14.77802560
  H     17.29922724      8.17850134    -11.24914528
  H     15.63261269     11.05174218    -16.48364574
  O     17.90269781     11.95384788    -10.37758825
  H     16.23230842      8.95688436    -10.38238624
  H     13.92326907     13.32209269    -14.89029494
  O     14.88613972     11.27398873    -17.06151586
  H     16.30556448      8.34644678    -17.62471454
  H     14.70483690     12.92009884    -16.15266942
  O     14.65861607     13.58540322    -15.45410464
  H     16.85903424      8.90786358    -16.30152520
  H     12.98367724      9.09762006    -14.53024693
  O     13.39528446      8.38981604    -14.01662054
  H     15.24295180      7.13470603    -16.21594432
  H     13.74024561      7.75625601    -14.66261895
          69
 Energy    -248.27407746155762     
  O     13.37485101     12.34210066    -15.43451342
  H     13.17835340     11.42453967    -15.67883419
  H     16.56277525      9.41109581    -17.35543839
  O     14.53674671      6.62197062    -13.08648249
  H     14.32069362     12.44791037    -15.58189835
  H     15.63795167      9.56159650    -14.08949209
  O     18.03282468      9.05636482    -11.99303294
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  H     12.48879935     12.37589065    -13.94697536
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  H     11.44101446     12.99227449    -12.98800107
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  H     18.13254510      9.44281639    -11.11326529
  H     16.71963684      6.99858644     -9.77719507
  O     16.45125334     10.97475125    -13.28683280
  H     18.10185634      8.07320877    -15.66108328
  H     17.14309098      8.21830199     -8.93837490
  O     15.48841511      6.21675931    -17.09566876
  H     16.57833444      8.32721925    -15.64405958
  H     11.43152692     10.38019216    -13.34538909
  O     13.98497821      8.19181042     -8.81899053
  H     14.88869710     10.98927044    -10.10223537
  H     11.82647015      8.99937251    -12.79703677
  O     15.57814127      4.69601079    -14.85886857
  H     14.77005303      9.95313468     -8.97666227
  H     18.93730870      8.37724285    -13.43535582
  O     18.12414275      5.28825719    -13.58791505
  H     13.53415487      7.68517425    -12.00110362
  H     20.23792636      7.97919423    -14.16234820
  O     15.90901675     10.02399627    -17.72022621
  H     13.32309750      8.26657411    -10.57195504
  H     17.39216000      6.02666366    -12.10542372
  O     15.24664248      8.80786712    -14.54634423
  H     15.67026867     11.08173724    -12.72173188
  H     15.97107692      6.60368301    -11.96516675
  O     12.02433728     12.24701731    -13.09973480
  H     17.06646844     10.38660778    -12.82946459
  H     16.97575707     10.33025306     -9.31605371
  O     16.58768693      7.43092660     -8.92046986
  H     16.25662046      6.78129895    -16.92802872
  H     18.40181331     10.50169917     -8.74148067
  O     11.37781957      9.43470779    -13.53307399
  H     14.81433604      6.80181936    -17.45891259
  H     14.50766595      8.97409580    -18.03286459
  O     19.28687673      7.91426951    -14.21313940
  H     13.55363282      7.84160596     -8.04405843
  H     13.48621733      8.35372997    -19.01265230
  O     16.84147770      6.59158825    -11.54546479
  H     14.89505291      7.84462839     -8.81456626
  H     13.82087684     10.08061328    -11.74185935
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  H     15.50025422      5.19231519    -15.69290971
  H     13.42654619     11.51982287    -12.16432599
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  H     15.37566644      3.78633459    -15.06151455
  H     16.37130404     11.79401205    -14.89068226
  O     14.14586652     10.99133991    -11.79699849
  H     17.33977915      5.08711792    -14.11443248
  H     16.85373284     12.86324184    -15.89326805
  O     16.20665411     12.17256623    -15.76991356
  H     18.52692551      6.07552652    -13.97130338
  H     12.91927302      9.06101546    -16.54742360
  O     12.93562508      9.64192274    -15.77990437
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  H     12.27101235      9.38684217    -15.12287279
          69
 Energy    -248.27405858082540     
  O     13.01394604     11.12588158    -12.40903004
  H     12.81589457     11.99142046    -12.05548400
  H     15.70026496      7.01302194    -16.65099337
  O     14.24744442      7.30099799    -17.63888993
  H     13.70269479     10.75139207    -11.83952734
  H     14.86918556      6.37309888    -10.35567040
  O     13.70892496      4.87072944    -12.92696644
  H     13.70731905      6.53615332    -17.40776781
  H     14.84490894      5.42082059    -11.58180125
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  H     13.69221352      8.08261765    -17.53408197
  H     14.15111293      8.02013966    -13.77142530
  O     13.14026974      4.74176642    -16.79396016
  H     12.80526024      4.62759627    -12.69687970
  H     12.93723525      7.63426604    -12.82429940
  O     10.66494197      9.49187702    -12.85380421
  H     13.64313328      5.77208541    -13.28558922
  H     13.60817713     10.98121565    -14.23717368
  O     12.70285406      9.67470116    -17.18834234
  H     18.42645035      5.43830281    -11.73964367
  H     14.74674394     10.16314599    -14.85636104
  O     19.24008163      7.09988873    -12.37517903
  H     17.03535243      4.97421794    -11.26403621
  H     10.83349964      5.04696674    -13.50647931
  O     11.25259396      8.19012316    -15.30466040
  H     13.90397606      4.49977046    -16.24627302
  H     10.19693829      4.29288694    -12.31386805
  O     17.76846891      3.44648076    -14.06102726
  H     13.10324956      4.09985149    -17.50041894
  H     11.15135870      8.11063973    -11.82236056
  O     18.76907867      6.04103094    -14.82290726
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  H     11.31198164      6.55452026    -11.73682955
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  H     11.41380311     10.09157472    -12.75071369
  H     14.74254090      4.35964595    -14.27515580
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  H     13.17934401     10.12063563    -16.46464636
  H     16.11763262      3.86354951    -14.79866010
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  H     12.54088168     10.33321943    -17.85824050
  H     11.59397534      5.13885530    -15.74657407
  O     14.01651419     10.75835997    -15.08070969
  H     20.16166519      7.32639596    -12.28624358
  H     10.80722653      6.39087194    -15.32067172
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  H     19.11569406      6.78111802    -13.28779538
  H     12.96570278      7.54081509    -10.17627051
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  H     12.03122829      7.91216100    -14.79556517
  H     14.11092597      8.52350529     -9.87719652
  O     15.27867812      4.25209469    -15.07573447
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  H     18.22951895      2.61250089    -14.02944996
  H     16.20783245      8.62300756    -13.37596862
  O     13.79109296      7.63849082     -9.67712269
  H     17.78222797      3.80901178    -13.15658513
  H     15.69237227      9.46332799    -11.06829232
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  H     18.55658925      5.11087488    -14.67924623
  H     15.47937162     10.60577217    -10.05823192
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  H     18.03293309      6.39598460    -15.33971338
  H     17.67923301      7.91965480    -11.87111517
  O     16.76223133      8.16894600    -11.69956251
  H     15.97438385      5.89994685    -15.61531722
  H     16.29241577      7.35503721    -11.46362133
          69
 Energy    -248.27396821824382     
  O     -1.67954217     -2.28241725      0.33153812
  H     -1.69037709     -1.49712636      0.89107007
  H     -1.16237021     -7.49107875      0.15903638
  O     -1.83463029     -0.13604352      6.86005771
  H     -2.60323495     -2.51409030      0.16467109
  H      4.75835663     -3.71980860      4.56334564
  O      2.80513158     -2.09985530      2.73701579
  H     -2.58865012     -0.67255194      7.13319349
  H      3.47625505     -3.16585857      3.89758557
  O     -2.10740062     -0.31409546      2.43955933
  H     -1.10234859     -0.75637756      6.74484570
  H     -0.90412821     -3.49737234      1.68711742
  O      1.91285242     -4.21984442      6.47376342
  H      2.66996277     -2.55975240      1.89884925
  H     -0.29289785     -4.64434341      2.58349408
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  H      1.95465476     -1.71395043      2.98597723
  H     -2.26439708     -4.05572633      3.35566769
  O      0.00739331     -2.13907386      6.20106220
  H     -2.24245904      0.37566863      3.10257896
  H     -2.97561063     -4.15471610      4.71312417
  O     -0.30016944     -5.79353964      5.49348116
  H     -2.87239426     -0.90038722      2.53181330
  H      3.20403656     -5.18560394      3.22133080
  O     -4.86906603     -0.49053143      4.99382847
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  H      2.78783193     -5.08510214      1.74409829
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  H     -4.55215713     -2.25946183      1.79407671
  O     -3.71249489     -5.42882227      1.28593616
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  H     -3.98908023     -2.77668830      3.13774516
  O     -1.22835045     -6.62088298      0.54489148
  H     -4.80650020     -1.83171559      7.87178444
  H      1.66085027     -3.93441439      0.07009403
  O      3.81526035     -3.84870339      4.50600263
  H      0.12767461     -1.82635716      5.29186612
  H      3.12062632     -3.64479103     -0.33402917
  O     -0.68838531     -3.76446937      2.58857101
  H      0.71137667     -2.77343281      6.37620466
  H     -0.01563941     -2.32787857      3.27703816
  O     -3.12936595     -4.21754972      3.76276862
  H     -1.06066222     -5.31160142      5.83780843
  H     -0.49686793     -0.87686036      3.20129583
  O      2.81090119     -5.68793296      2.49921977
  H      0.47395259     -5.33118084      5.83701155
  H     -0.55756541     -3.52722989     -0.43855045
  O     -4.35441756     -1.99318319      2.69865787
  H     -4.23331866      0.22453848      4.87121696
  H     -0.42272389     -5.06844132     -0.26476003
  O      2.54920650     -3.75368214      0.42221280
  H     -4.85278961     -0.99758491      4.17054488
  H     -2.27629181      0.83425612      5.46884310
  O      0.21788172     -1.42400005      3.54749305
  H      1.15051284     -6.26009705      2.74653655
  H     -2.57645211      2.23524097      4.88929153
  O      0.05503146     -4.27100923     -0.52284326
  H     -0.02534338     -6.30566565      3.78589996
  H     -2.95144107     -3.26424593      6.74545587
  O     -2.62565883      1.30404337      4.69027649
  H     -2.90658483     -5.89121364      1.02627164
  H     -1.48364707     -3.23907085      6.28351914
  O     -2.25872617     -3.81438692      6.35847325
  H     -3.60894819     -5.19330471      2.21804214
  H     -5.00153983     -3.21063595     -0.61093356
  O     -4.36955573     -3.10346091      0.09397360
  H     -0.73095747     -6.64935657      1.38116356
  H     -4.19633636     -3.99052388      0.46059089
          69
 Energy    -248.27354158646042     
  O     15.21403319      5.39931482    -16.58071282
  H     15.47814139      6.27289628    -16.89019180
  H     13.70076640      7.56169959    -11.03454819
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  H     14.25414479      5.40993173    -16.48293910
  H     14.88635052      9.12549086    -13.60615873
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  H     11.81378178      7.48288692    -12.64149299
  H     15.40329789      7.69858299    -13.96528343
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  H     13.32278702      7.52862802    -13.01393177
  H     17.62364415      7.87876300    -14.88414629
  O     13.36538290     11.41475900    -14.83551412
  H     14.53971111      6.38040123     -9.42236066
  H     17.96572311      9.34378836    -14.68328355
  O     16.11742587      8.03351151    -17.44354442
  H     14.40674958      5.54598216     -8.13046371
  H     10.67197589      8.13147581    -14.31555043
  O     17.34349094      5.22034159    -10.12368003
  H     12.61726914      4.75211520    -14.91235306
  H      9.43417041      8.27602057    -13.39742390
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  H     12.02110937      4.24441861    -16.24098071
  H     12.29832425     10.97630649    -13.42105462
  O     14.18599321      3.39810985    -10.92718084
  H     14.18788061     11.36011642    -14.33152287
  H     11.30710209      9.92690872    -12.86321180
  O     16.85893801      3.06611206    -11.95337788
  H     13.43207709     10.74144479    -15.52404117
  H     12.92136092      5.40892992    -12.89642343
  O     15.73284483      4.21858550    -14.17577473
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  H     16.59113174      8.10143508    -18.26892141
  H     12.06407717      8.17999502    -16.16648017
  O     14.61488513      8.25361243    -13.92506345
  H     16.50869935      5.22384087     -9.63764663
  H     11.66416890      6.72071125    -15.86905433
  O     17.79606771      8.69903237    -15.37344583
  H     17.29014555      4.47398937    -10.73320810
  H     13.59164581     11.35552024    -10.08069810
  O     10.38342489      8.35816283    -13.41218993
  H     14.43312859      8.80503982    -16.96209015
  H     13.03770957     10.63154718    -11.33184541
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  H     13.94671947      8.73045745    -15.51596912
  H     16.99741839      6.90437748    -12.81494498
  O     13.12430999      4.51074870    -13.19686892
  H     15.08505295      3.14637733    -11.17140419
  H     16.57495522      5.78724622    -13.83298113
  O     11.34640925      7.63062001    -15.82285055
  H     14.27989805      4.07440672    -10.24512272
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  H     17.37081901      2.28390053    -12.14397895
  H     14.98461063     10.79402623    -12.12596588
  O     16.92371990      6.68259139    -13.75194816
  H     16.54790151      3.40909695    -12.80790415
  H     18.87112583     10.20310458    -12.20075462
  O     15.43377745     10.74544355    -12.97965065
  H     14.83930848      4.30537412    -13.81461069
  H     17.78254236      9.12403027    -12.03467816
  O     18.04856079      9.89056751    -12.56960945
  H     15.68120775      4.52019127    -15.09583390
  H     16.11027149      7.85150976    -10.92236934
  O     17.03482421      7.71470525    -11.16612803
  H     14.14491023      8.85349415    -10.31866558
  H     17.30796720      6.88232596    -10.75037470
          69
 Energy    -248.27343374605965     
  O      1.09506793     -7.76528753     -2.69809586
  H      0.57005085     -7.17439857     -2.12823224
  H      5.14992816     -6.65582777      0.13213650
  O      6.67591425     -6.47858809      1.04360285
  H      0.51647831     -8.05781835     -3.39676259
  H      1.77373374     -9.11414806      5.59879098
  O      3.82754598     -5.53771702      3.45149826
  H      7.19797262     -7.23938922      1.32353010
  H      2.01122791     -9.18454068      7.12401325
  O      0.36248704     -6.65443087      1.61108123
  H      6.66088209     -5.88802450      1.80613357
  H      0.39228867     -6.34787143      4.71822839
  O      6.56390133     -5.07409936      3.55321931
  H      3.42783119     -5.17519790      2.64876530
  H     -1.14088155     -6.13670744      4.77746917
  O      7.15738552     -7.48703003      4.60839179
  H      4.74728324     -5.24695688      3.49649483
  H      4.36514548     -8.59820658      3.83335279
  O      3.12337018     -5.71173834     -2.62931152
  H     -0.02688222     -6.53556040      2.48591777
  H      4.01190987     -7.31661134      3.04579349
  O      4.63775216    -11.01035637     -0.61482670
  H      0.79380689     -7.52115976      1.61801351
  H      0.07366511     -8.43910849      4.31802985
  O      7.99307063     -8.76871894      2.18667509
  H      6.79464616     -5.90711797      4.00495808
  H      0.88852695     -9.38083470      3.41575206
  O      2.51092986     -4.97772220      1.10050496
  H      7.14003065     -4.40079177      3.90367189
  H      4.88309320    -12.40509659      3.99756054
  O      1.72978194     -9.06262827      1.74870833
  H      6.48453241     -8.05264137      5.00928326
  H      5.52666192    -11.22364246      3.25723813
  O      4.26833828     -6.71173931     -0.26265425
  H      7.52193925     -7.98076031      3.86289609
  H      5.36188572    -10.50160438      0.92496022
  O      2.40928092     -8.90067903      6.30476539
  H      3.69353961     -6.04756215     -1.92312420
  H      5.09665045     -9.44704911      2.05529532
  O     -0.45129114     -6.57032799      4.28292127
  H      2.50549607     -6.42591445     -2.82726448
  H      4.17822763     -9.13530942      5.83963957
  O      4.04948139     -8.27856512      2.97752630
  H      4.87989481    -11.35026892     -1.47226641
  H      5.17899885    -10.09949270      5.11943585
  O      0.57110562     -9.26648155      4.32098740
  H      3.94900058    -10.34443525     -0.77421369
  H      2.18998074     -8.67293310     -1.51377076
  O      5.39537453    -11.61191803      4.13648590
  H      7.23367790     -9.34703325      2.00108811
  H      3.37196304     -8.21493297     -0.61446243
  O      5.68768121    -10.15911590      1.76852570
  H      8.77737348     -9.26388446      1.96545402
  H      0.29616673     -5.17666499     -1.15338501
  O      5.04420200     -9.18620763      5.41421131
  H      2.25932512     -4.42414565      0.35179011
  H     -0.13885103     -6.24903624     -0.13139499
  O      2.80647565     -8.97235785     -0.83507147
  H      1.74220594     -5.52987313      1.30885581
  H      2.23913240     -7.01114979      5.80835870
  O     -0.17852530     -6.01245887     -1.06821712
  H      2.53457606     -8.80528660      2.22573166
  H      2.64692317     -5.89781072      4.80965145
  O      1.95954449     -6.16785428      5.43463414
  H      1.99530152     -9.18579184      0.82912825
  H      2.22239411     -4.41373563     -1.86460275
  O      1.67450243     -3.81857970     -1.32132862
  H      3.69100223     -6.12430456      0.24243578
  H      1.67206889     -2.97067798     -1.75626859
          69
 Energy    -248.27333933110563     
  O     14.50707106      9.95509182    -17.46865852
  H     14.02796085     10.32056265    -18.20778071
  H     19.49581631      7.12661087    -12.76437502
  O     15.68755449      6.61796967    -11.99287437
  H     14.08384461     10.30140876    -16.66154706
  H     17.71567570      8.44009820    -17.39058531
  O     19.44724910     10.29716804    -12.99995143
  H     15.63233454      5.65975188    -12.10595692
  H     18.87605710      7.43100515    -17.33405392
  O     20.51644631      7.48880897    -16.37560790
  H     15.98646911      6.97824087    -12.84178680
  H     15.78489640      7.57416482    -15.03046582
  O     15.35923309     12.06104945    -10.20343824
  H     19.05965928     10.73709377    -12.22607666
  H     16.62444330      8.64511322    -14.27757239
  O     13.68628490      8.49602299    -11.91313814
  H     19.66196256      9.40335806    -12.70512162
  H     12.81922305      9.83142968    -14.88830961
  O     16.90575329     10.37895805    -14.15574782
  H     20.40687660      8.43557537    -16.16924295
  H     13.72791043     10.95181928    -14.35720978
  O     17.18095707      4.29341910    -14.97690797
  H     21.39249427      7.38297207    -16.73509047
  H     18.25138410      8.01795767    -10.87048311
  O     14.96513621      9.45472178     -9.53327578
  H     15.06908895     12.68341118     -9.54262506
  H     16.77733834      7.61479439    -10.95474603
  O     18.94000519      6.43508323    -14.31125851
  H     15.18187056     11.17008685     -9.84989920
  H     13.08767067      7.67964868    -15.04049298
  O     15.67997743      3.96615902    -12.69074065
  H     14.33462054      7.77549350    -11.88650796
  H     11.62418319      7.49220408    -14.58510246
  O     19.77016209      7.64108165    -11.98707536
  H     13.12745342      8.31331394    -12.67716537
  H     19.85736800     10.27762854    -14.86215662
  O     17.96447612      7.53716123    -17.62891487
  H     16.18417763     10.69420171    -13.59717967
  H     19.14698363     10.27959811    -16.24419520
  O     16.48504539      7.69343780    -14.37952388
  H     17.73351213     10.42369963    -13.66055580
  H     17.17437937     11.53119974    -10.63740344
  O     13.28035304     10.63672368    -15.15318573
  H     16.80322172      4.66077273    -15.78398348
  H     17.71820798     10.09348886    -10.69112786
  O     17.38004591      8.23532784    -10.51849521
  H     17.90694671      4.88240490    -14.73417359
  H     16.14555797      5.04180938    -18.17818519
  O     12.41501292      7.99886265    -14.41621426
  H     14.36012629      9.09352795    -10.19388170
  H     16.83118455      6.25662076    -17.50494718
  O     19.97468308     10.06446602    -15.79747635
  H     15.80556658      8.99866630     -9.67035397
  H     14.83150523     11.53126376    -11.91920961
  O     17.95683575     11.01592454    -10.85845777
  H     19.52071606      6.72757995    -15.02562233
  H     14.33351954     10.14690583    -12.40705296
  O     16.15281073      5.56627584    -17.38181340
  H     18.08872938      6.88749417    -14.42409455
  H     16.38733075     10.20436308    -17.23416520
  O     14.64102430     11.01387735    -12.71059948
  H     16.18931181      4.01315719    -13.51728225
  H     17.13743249     10.31649789    -15.90464472
  O     17.27285510     10.17075639    -16.85437226
  H     15.74096457      3.06181886    -12.39541193
  H     14.88160585      6.69686290    -16.70731691
  O     14.39769577      7.40086226    -16.25486579
  H     20.56157112      7.22857117    -11.64949134
  H     14.47130521      8.20609955    -16.78537422
          69
 Energy    -248.27320784972380     
  O     -7.36481958      2.65827485      1.10822767
  H     -8.24693426      3.00449082      1.00022490
  H     -4.26648360     -1.08817334      3.09697323
  O     -4.47841949      2.18246775     -3.19176506
  H     -6.86176169      2.92265502      0.31668823
  H     -0.23588079      2.26786969      2.19632571
  O     -3.32734147     -1.74561915      1.72485319
  H     -4.79723781      2.31557431     -4.08115632
  H     -1.00658978      0.93482631      2.09103436
  O     -0.87990839     -0.48503990     -1.49384638
  H     -4.71007668      1.26918683     -2.94674758
  H     -2.05662342      2.63029460      1.11739613
  O     -4.94390339     -0.29936385     -2.19519947
  H     -3.63840600     -2.50342412      1.21377124
  H     -3.01943394      3.70938774      0.49543705
  O     -4.28643734     -3.61861412     -0.09647607
  H     -3.47909127     -0.96435223      1.16653142
  H      1.06749720     -0.37011844      1.28790328
  O     -2.95242443     -2.30329768     -2.05092711
  H      0.06732221     -0.45441319     -1.67717417
  H      1.85536377      0.95144312      1.27066334
  O     -1.81268493      2.07780914     -2.13826824
  H     -1.24363912      0.37197286     -1.75750794
  H      1.90464719      3.55174095      1.47666973
  O     -0.78656466     -0.70148219      1.29829916
  H     -5.67176459     -0.84979217     -1.87439359
  H      1.13946650      2.81286674      0.35444752
  O      1.90644086     -0.07961019     -1.65947377
  H     -4.49348193     -0.00473629     -1.38672776
  H     -3.99831133      1.15250990      3.74046329
  O     -6.47700315      0.05691169      1.47159795
  H     -3.76859521     -3.22064247     -0.82057777
  H     -2.73285745      1.96918181      3.38029211
  O     -4.83023720     -0.58109885      3.70560928
  H     -4.29409996     -4.55928046     -0.25049816
  H     -5.91965911     -2.53672958     -0.39082417
  O     -1.07488031      1.84372208      2.41841825
  H     -2.15722540     -1.77957884     -1.88749679
  H     -6.66587205     -1.28692636      0.12186962
  O     -2.57695920      2.86697752      0.33861073
  H     -3.62967196     -1.66730084     -2.31594313
  H     -4.88859608      0.47896405      0.66004916
  O      1.92589505      0.01251458      1.05831431
  H     -2.61975264      2.15387257     -2.65775752
  H     -3.62473861      1.36103551      0.35083080
  O      1.31859946      2.81794744      1.31171436
  H     -2.04456636      2.40194242     -1.25237597
  H     -4.56809735      4.82295943      1.42833725
  O     -3.65233530      2.04854597      3.66138762
  H     -1.54090468     -1.22983043      1.58470229
  H     -3.99447208      6.09135075      0.74336882
  O     -6.58138874     -1.87957076     -0.63721320
  H     -0.86212478     -0.62028396      0.33589378
  H     -5.21738000      4.13418656     -0.57764771
  O     -4.00627159      0.47977673      0.26256122
  H      2.66782657     -0.50735012     -2.04080225
  H     -5.36211703      3.09390504     -1.71716087
  O     -4.11887682      5.15432052      0.62740649
  H      2.01787002     -0.11051525     -0.69205720
  H     -6.10375228      3.51205758      2.31531459
  O     -5.82113082      3.49011063     -0.96877634
  H     -6.87894847      0.93614643      1.45018513
  H     -4.77089633      3.32596436      3.09437985
  O     -5.35499046      3.98744666      2.69174536
  H     -6.10187785     -0.09255958      2.34804780
  H      0.00281928      2.54121820     -1.76177254
  O      0.88684534      2.58458484     -1.37651249
  H     -4.92579479     -1.10574068      4.49656251
  H      1.31457323      1.75074564     -1.60926483
          69
 Energy    -248.27300733978751     
  O     17.55789912     13.95478043    -17.32271348
  H     17.38423279     14.33171633    -18.18178268
  H     18.53770732     10.52606106    -16.04359660
  O     22.60340607     11.66019643    -13.63513281
  H     17.83258898     14.68813393    -16.74701450
  H     18.26354693     12.71187637     -9.66964393
  O     17.71907438     15.39173501    -10.91280591
  H     22.15227227     11.06040959    -13.03296401
  H     17.08606042     12.75843969     -8.66718758
  O     14.92257806     12.84701069    -13.58865221
  H     22.40918415     12.53862465    -13.27426047
  H     18.41896880     18.28973684    -13.47918921
  O     19.95659133     12.48430132     -9.93008564
  H     17.46505787     14.64379885    -10.35899167
  H     18.15828261     19.28375277    -14.63463359
  O     16.43383971     11.28525928    -11.72990755
  H     17.51510406     15.12726767    -11.82240326
  H     19.54056690     15.30872035    -10.66095762
  O     22.06257232     12.95685199    -16.08606806
  H     15.22235349     12.49477786    -14.44645170
  H     20.84743881     16.13540382    -10.63656553
  O     21.21943060     15.43481550    -15.21350262
  H     13.97910996     12.96675153    -13.65159121
  H     17.76661678     10.43012741    -12.47240229
  O     18.41311974     18.00112184    -11.75462802
  H     20.36582353     13.34505373    -10.08183748
  H     18.30704555      9.87929038    -13.83415952
  O     21.48165665     14.04594230    -12.82409264
  H     20.40564420     11.84155508    -10.49020391
  H     21.47316892     17.08080989    -14.40236682
  O     15.96183612     11.97088485    -15.91853064
  H     15.84337752     11.79136199    -12.30011139
  H     20.45385751     18.20482546    -14.16981152
  O     17.92502071      9.84948218    -15.70620115
  H     16.65667795     11.85609993    -10.98397399
  H     17.92689261     15.41274533    -14.77133476
  O     17.31714350     12.92812017     -9.57684244
  H     22.35794949     12.42494085    -15.33276481
  H     18.41647755     16.78656606    -15.27799053
  O     18.54761194     18.43684082    -14.43390890
  H     21.25852947     12.52958738    -16.40325898
  H     21.35489057     17.87337699    -12.15265506
  O     20.49954005     15.23898049    -10.54829859
  H     20.27396269     15.48052434    -15.40004718
  H     21.84532198     18.50395431    -10.82806987
  O     18.56050704     10.11251563    -12.93378145
  H     21.57249069     14.63163857    -15.62657658
  H     20.11451033     10.12943149    -12.05288417
  O     21.32517396     17.89246764    -13.89804389
  H     18.05141870     17.18939483    -11.37668478
  H     21.21810650      9.53436727    -11.15335167
  O     18.37821018     15.85035836    -15.50994353
  H     19.32574372     18.05381254    -11.44406785
  H     19.06046648     11.84134343    -13.35808651
  O     21.22699553     17.87329567    -11.18673409
  H     21.19586848     14.52693243    -12.03851478
  H     20.04936456     13.06493697    -13.37508767
  O     20.95147151     10.33313175    -11.60334856
  H     21.44304631     14.64481172    -13.58242944
  H     19.41714057     12.31814442    -15.48753701
  O     19.22874597     12.70992246    -13.74246068
  H     16.44462305     12.63833052    -16.42074602
  H     18.84984893     12.67252587    -16.88295164
  O     19.40109909     12.03271444    -16.41619160
  H     16.53717347     11.19899424    -15.85959123
  H     16.34572721     14.01628437    -13.48752728
  O     17.19282485     14.47618319    -13.45593567
  H     18.00811967      9.09185324    -16.28018173
  H     17.88974592     13.80265703    -13.52302401
          69
 Energy    -248.27295152473226     
  O     12.57017149     11.32228684    -14.37787148
  H     12.87573198     11.30685422    -13.46159038
  H     15.29036477      6.97626710    -16.54631897
  O     13.78788117      5.90382895    -12.32134724
  H     11.73343094     10.84372794    -14.37565098
  H     15.50591677      7.06449529     -9.98028844
  O     18.03240313      4.85391109    -11.42029587
  H     12.87492815      5.67540948    -12.53283848
  H     15.14121211      6.11821502    -11.14822289
  O     12.35722445      3.39259364    -14.73924389
  H     13.88815044      6.83141503    -12.59058879
  H     14.76124331      8.64701497    -13.76023517
  O     10.30697762      9.50512720    -14.37280673
  H     17.30386733      5.33682727    -11.00482121
  H     13.70565989      9.21504905    -12.77548721
  O     13.92225344      7.96872537    -17.39939098
  H     18.64950882      5.52192573    -11.74088932
  H     13.81347113     10.71879457    -15.59192159
  O     14.70564953      8.47046961     -9.18905393
  H     12.38217015      2.44657377    -14.85876382
  H     15.22636148     10.07655208    -15.62866143
  O     19.52695369      6.90951325    -12.80464416
  H     13.28100939      3.68735460    -14.73659687
  H     10.40515843      8.54169940    -12.70818579
  O     12.14555073      7.66020254    -15.23886674
  H      9.52267636      9.57883374    -14.91148703
  H     10.70653379      7.06731557    -12.37429818
  O     17.35874687      3.38910308    -13.58922962
  H     10.88402519      8.85370654    -14.80681674
  H     14.58164838      4.96838923    -13.64063124
  O     18.43472985      5.66926849    -14.96022692
  H     13.82790423      8.07371363    -18.34190952
  H     15.71946518      4.02663875    -14.13679078
  O     15.94715720      6.59910681    -15.94860211
  H     14.09959310      8.85569373    -17.03160252
  H     11.45628975      4.76251734    -13.89767635
  O     15.88416440      6.44793098    -10.62393504
  H     15.16750523      9.24217807     -9.53726477
  H     11.50261705      6.27174618    -14.19182704
  O     13.94483648      8.43520874    -13.28966431
  H     13.77475150      8.59865558     -9.41046972
  H     11.39142738      9.33053181     -9.29420779
  O     14.46332921     10.30117703    -16.17563769
  H     19.18174523      6.51654915    -13.62676158
  H     11.51968325      8.63626669    -10.66612580
  O     10.60894019      7.94264297    -11.97952463
  H     20.46587514      7.02062132    -12.92565636
  H     16.34623480      8.13323972    -15.01878821
  O     14.92019387      4.49258849    -14.41411176
  H     12.76725560      7.97565970    -14.56327252
  H     16.79445976      8.81437367    -13.68794124
  O     11.26167579      5.62702047    -13.51000453
  H     12.63209213      7.65638216    -16.07049919
  H     12.93146560     10.30194036    -11.08618133
  O     12.01764329      9.11693580     -9.98160288
  H     17.70211293      2.50313126    -13.51348239
  H     14.37847635     10.77877689    -11.40074928
  O     16.35625850      8.97174938    -14.53401152
  H     17.58138859      3.84894451    -12.75930364
  H     16.60663825      9.84744484    -11.16328336
  O     13.48199162     10.72790054    -11.75712217
  H     17.68307284      6.02192373    -15.45288921
  H     16.71894898     11.18441917    -10.39884132
  O     16.09476533     10.52452944    -10.69102125
  H     18.14284700      4.81698915    -14.61292024
  H     18.18890569      8.00718941    -12.20347759
  O     17.34595683      8.41585257    -11.96840564
  H     15.51864906      5.86971384    -15.47834066
  H     16.81325691      7.72624577    -11.54510811
          69
 Energy    -248.27293670522016     
  O     15.89379860      3.52660418    -14.97640784
  H     15.74847748      4.42872041    -15.28857834
  H     17.26187545      5.48291108    -11.44876516
  O     17.81857305      8.50342900     -8.22218816
  H     15.07318436      3.25659810    -14.54581276
  H     18.07567761      8.89445198    -14.54305599
  O     14.38867399     11.74559569    -12.64124971
  H     18.34517318      8.16817969     -8.97177116
  H     17.36006145     10.23080835    -14.80316119
  O     17.39077843      7.27562038    -13.80547870
  H     18.26370254      8.22697110     -7.42610029
  H     14.92346288      8.79956825    -12.42161574
  O     17.84977637      2.96240157    -13.15520579
  H     14.82475574     11.95275010    -11.80481983
  H     15.69417167      8.40748859    -11.13810154
  O     12.04877282     10.34313371    -11.75802413
  H     13.52405017     11.39629681    -12.39591465
  H     14.28414224      2.76784882    -12.55732938
  O     15.37003378      7.86328955     -9.42999247
  H     17.80492947      6.60486185    -13.24822609
  H     13.00036636      2.22733274    -13.23359335
  O     13.19308411      8.38283423    -13.24359500
  H     16.82796960      7.79189276    -13.20801892
  H     16.22478976     11.87454781     -9.79044578
  O     18.27647205     10.01162702    -11.91704610
  H     18.45170029      2.31115455    -13.50544858
  H     15.32151080     13.11285222     -9.60209581
  O     13.69107003     10.02693229     -9.42025987
  H     17.21199072      3.16381192    -13.86279313
  H     14.95980793      5.64007712    -11.57884476
  O     15.39802865      6.29514083    -15.35601271
  H     12.35704974      9.58620016    -12.28613083
  H     15.42411760      6.22373834    -10.21498781
  O     18.13717400      5.45016868    -11.86396295
  H     11.10036185     10.37670400    -11.85045501
  H     15.77333311     11.86734157    -15.42333701
  O     18.23306371      9.83793567    -14.68856024
  H     16.15612569      8.08250663     -8.91341732
  H     15.18825471     11.29345938    -14.11613496
  O     15.80596051      8.71497753    -12.04831305
  H     14.72334382      8.57572510     -9.31240562
  H     17.76175740     10.30596891     -8.89312073
  O     13.64220320      2.93051474    -13.27258440
  H     13.41721759      8.54499537    -14.16826067
  H     18.07191091     10.84540876    -10.30259038
  O     15.36080117     12.25824306    -10.02336756
  H     13.28730474      7.43143333    -13.09266206
  H     14.41203205      5.88214263    -13.86976267
  O     15.54168560      5.48190476    -10.82315831
  H     18.49459768     10.09940038    -12.85297737
  H     13.60412981      4.78921696    -13.13053067
  O     15.58005300     11.04779848    -14.97336183
  H     17.36548122      9.68196323    -11.90478170
  H     15.57049774      3.61638619    -10.99464417
  O     17.71866504     11.10039118     -9.43750868
  H     13.02864992     10.09645952    -10.11724752
  H     16.41898074      2.67752618    -11.87361692
  O     13.86014252      5.71894028    -13.09048988
  H     14.25184962     10.80634438     -9.52698263
  H     14.70087225      9.61640118    -15.60579553
  O     15.58491937      2.73365209    -11.39117176
  H     16.19022576      6.60434856    -14.88628337
  H     13.68677320      9.09807445    -16.64913681
  O     14.16117154      8.84931130    -15.85909977
  H     14.97587947      7.08566774    -15.70723366
  H     18.91164436      6.90213922    -10.93401860
  O     19.11302811      7.71099960    -10.44799874
  H     18.20561706      4.58103150    -12.27683228
  H     18.98162358      8.45047540    -11.05581911
          69
 Ord_Energy   -248.272827    
 O   -5.15767622       4.50387287       9.43318176    
 H   -4.61575937       5.11233330       8.91140842    
 H   -4.95021534       3.60925651       9.13619900    
 O   -8.13604069       6.93279648       7.07501078    
 H   -8.15280819       6.81847906       6.11778402    
 H   -8.03370953       6.05786705       7.47708750    
 O   -7.82162523       6.59864092       4.30852699    
 H   -8.44175243       6.74479103       3.59865117    
 H   -7.56927204       5.65938997       4.27141190    
 O   -4.58449697       4.79997683       5.51076174    
 H   -4.15771914       5.40383101       4.88948822    
 H   -5.44097710       4.55476665       5.14187860    
 O   -9.10143089       5.63876343       10.7616968    
 H   -9.18933296       6.52014542       10.3556395    
 H   -9.88349056       5.49622393       11.2872467    
 O   -3.08958340       2.61179614       6.18275595    
 H   -3.67008996       3.34217858       5.91714334    
 H   -2.19121361       2.97382426       6.14855909    
 O   -3.30941153       5.14703035       1.79473352    
 H   -3.28490996       5.79646444       2.51794958    
 H   -3.21365690       5.63792992      0.982398033    
 O   -3.24498725       1.32326126       3.73418450    
 H   -3.20055509       1.67059720       4.63998413    
 H   -3.12761736      0.378568351       3.79425359    
 O   -3.29081106       6.76712894       3.98780441    
 H   -2.59959435       6.85245180       4.65539837    
 H   -4.01513815       7.36922026       4.22470951    
 O   -6.98744106       4.01972866       4.34391165    
 H   -6.44334364       3.60769796       3.65464592    
 H   -7.11242151       3.39582372       5.07478380    
 O   -5.45703983       8.19057846       4.80176783    
 H   -5.51372766       8.40301418       5.74153519    
 H   -6.26702070       7.71316051       4.58346558    
 O   -9.04910660       8.04546261       9.49493313    
 H   -8.88225937       7.78174591       8.57913876    
 H   -8.24127674       8.48177052       9.79245186    
 O   -1.58228362       6.73105812       6.25321388    
 H   -2.31951952       6.60932159       6.87403488    
 H  -0.986175954       7.35871935       6.65486431    
 O   -6.40667009       8.85145855       10.3293877    
 H   -6.31854773       7.95689631       10.7050533    
 H   -6.14161015       9.46316242       11.0107908    
 O   -5.16168785       3.08028960       2.54628396    
 H   -4.58711815       3.77788234       2.20725632    
 H   -4.57037163       2.39679718       2.88489318    
 O   -6.34808683       6.29562092       11.2675791    
 H   -5.84832716       5.63438988       10.7712278    
 H   -7.26623631       5.99794531       11.2557106    
 O   -3.90704465       6.28290939       7.69378567    
 H   -4.50398540       7.04383039       7.72713280    
 H   -4.21175480       5.72748518       6.95791721    
 O   -7.80083609       4.57562017       8.50107384    
 H   -6.88320351       4.57655001       8.81010818    
 H   -8.34692669       4.78793812       9.26811409    
 O   -4.72221994       1.96262765       8.25811291    
 H   -4.06153727       2.11780834       7.56158018    
 H   -4.50257063       1.12882721       8.66624641    
 O   -7.11361980       2.56794739       6.66860676    
 H   -7.52151442       3.19769835       7.27968216    
 H   -6.34448147       2.22987151       7.13899422    
 O  -0.791116595       3.97448897       5.70803595    
 H  -0.865746260       3.85304546       4.74858952    
 H  -0.944081008       4.90963125       5.87914467    
 O   -1.38021600       3.41893864       3.03468060    
 H   -1.90970635       2.62033415       3.14712596    
 H   -1.93971050       4.02176046       2.53118277    
 O   -5.79491186       8.29940414       7.64459562    
 H   -6.61415672       7.82455540       7.43618298    
 H   -5.91042471       8.64095592       8.53962612    
          69
 Energy    -248.27281690832504     
  O     15.14176040     12.01409456    -17.34261124
  H     15.92879213     11.54005900    -17.63761767
  H     18.36553788      9.79631330    -13.45680647
  O     16.90584500      5.48825219    -13.93269925
  H     15.27832531     12.18436842    -16.40116030
  H     14.18723736      9.25844472    -13.45111260
  O     17.75705307     10.38866551    -15.21926341
  H     16.88855724      6.29419591    -14.46938392
  H     14.18701795      7.81148488    -12.85893394
  O     14.36796405      4.73913973    -14.47838475
  H     17.41641070      5.73601197    -13.15317950
  H     13.73919097     11.12538057    -17.87929354
  O     13.39632554      9.66959605    -10.16183574
  H     17.03149630     10.97713303    -14.96103740
  H     12.56579662     11.00951489    -18.88038093
  O     13.11654946      6.34803053    -12.54858847
  H     17.77154892     10.38810060    -16.18499607
  H     16.40968166      8.37540473    -10.19988714
  O     13.23012962     10.61110798    -14.16886765
  H     14.31104379      3.80634705    -14.66746671
  H     15.56708391      7.12481127     -9.90511662
  O     15.14800482      8.59463587    -18.52038313
  H     15.29763738      4.92310649    -14.24831989
  H     11.38954752      8.20402816    -14.53049337
  O     13.68113715      6.83420233     -9.92468172
  H     13.45705048      8.72113815     -9.98705369
  H     11.14128499      8.69653089    -13.08517339
  O     16.45585303      7.95808650    -15.07387284
  H     14.30006778      9.96821863    -10.30804338
  H     16.70343978     13.21390543    -11.42944106
  O     14.30310585      6.91268119    -16.37873071
  H     12.34884653      6.79225829    -12.94240761
  H     16.05342205     11.83203880    -11.58066008
  O     18.43770539      9.54694900    -12.52704839
  H     13.47577284      5.72477786    -13.19177349
  H     19.13335498      6.38136670    -11.35792105
  O     14.74255763      8.57650084    -13.04921299
  H     12.86924114     10.05763926    -14.87631239
  H     17.69280002      6.88686566    -11.13510506
  O     13.04388405     10.52838417    -18.21035465
  H     12.57367967     10.65451953    -13.46180404
  H     17.02426090      9.96905347    -11.54414462
  O     16.47613401      7.43678640     -9.98494162
  H     14.87280142      7.86855035    -17.94784832
  H     15.58413491      9.50542278    -11.80390282
  O     11.16881909      7.90613649    -13.63851511
  H     14.39487212      9.19795518    -18.55146774
  H     17.86579342     10.22285828    -18.76769758
  O     16.04990498     12.73409669    -11.93364193
  H     13.45000044      6.57572181    -10.83320971
  H     16.58918704      9.57453213    -18.18902550
  O     18.35691317      6.69073914    -11.81855341
  H     13.21005718      6.24388431     -9.34191203
  H     10.82476005     10.84035770    -11.61408094
  O     16.12457990     10.01808002    -11.18066796
  H     16.98448723      8.74954685    -15.22087145
  H     12.13944784     10.08126187    -11.32472436
  O     17.28956087     10.22580399    -18.00768697
  H     15.90947053      8.14746144    -14.29456314
  H     14.72428340     11.56056820    -14.45022494
  O     11.48365531     10.27990904    -12.01565118
  H     15.09094762      7.33550143    -15.99906279
  H     15.77265293     12.42193308    -13.71258212
  O     15.56958080     12.01861762    -14.56678329
  H     14.19585100      6.08969132    -15.89111758
  H     12.96122901      8.13264646    -16.18630515
  O     12.31529105      8.84732995    -16.08545468
  H     18.50600459      8.58560899    -12.48968970
  H     12.41748445      9.41794784    -16.85827477
          69
 Energy    -248.27275408229036     
  O     -5.32124359      3.76862816      2.63685206
  H     -6.15517848      3.79863981      3.09824651
  H     -4.14246911      4.92627757     -1.21546008
  O     -3.02019565     -2.19700177      0.49867188
  H     -4.68384159      4.26250976      3.18245253
  H     -0.13114483     -1.13784125     -1.50843859
  O     -1.00380467      4.81099029     -1.87981718
  H     -3.54402765     -2.99014468      0.42574721
  H      0.30069905     -1.28765251     -2.98547758
  O     -3.44381438      1.90783197     -1.52292631
  H     -3.11596703     -1.72010885     -0.34554857
  H     -1.51535302      3.20969630      3.41125905
  O      1.71119224      4.37015987      1.30061912
  H     -1.96220547      4.83589881     -1.98893082
  H     -1.75727818      2.39558288      4.71549448
  O     -1.66970744      3.28569193      1.64093907
  H     -0.74704039      3.89859348     -2.06121747
  H     -1.92807096      5.04280239      1.62627311
  O     -2.47183978      0.76769916      5.05430338
  H     -3.67649006      2.79689305     -1.81715370
  H     -1.32926758      6.36907353      1.14627756
  O     -3.06132822     -0.85212526     -1.85808946
  H     -3.69294459      1.84999078     -0.58849327
  H     -4.51086462      2.36120095      1.74043020
  O     -2.59174023     -0.24836176      2.46753142
  H      1.54365894      4.32663636      2.24961893
  H     -3.59296335      1.07749499      1.70282548
  O      0.13675202      0.06085934      2.15554436
  H      1.22304693      5.12745967      0.95366732
  H     -2.96650583      5.68915657      3.30192006
  O      1.83102152      1.10707483      4.10942530
  H     -0.91294424      2.89378814      1.18858086
  H     -2.75801647      4.56768788      4.33466596
  O     -3.85903434      4.62574157     -2.09792764
  H     -2.45915881      2.79223142      1.38739684
  H     -1.64247915      1.95980219     -1.86378869
  O     -0.23632692     -0.76042713     -2.40018922
  H     -2.60396899      0.33553350      4.19623829
  H     -0.44109162      1.09247909     -2.30097703
  O     -1.41361230      3.23306241      4.37613188
  H     -2.16301458      0.08400020      5.64482750
  H      0.27259586      3.70693915      4.29397208
  O     -2.07045069      6.00389501      1.64114228
  H     -2.15555337     -0.86854478     -2.19049962
  H      1.48049077      4.52485626      4.79830492
  O     -3.96192926      1.80067241      1.17652558
  H     -3.31920290      0.07929812     -1.84150157
  H     -4.92290040      4.88376658      1.07836206
  O     -3.42004129      5.18007035      3.98733637
  H     -1.63519652     -0.10953864      2.38187011
  H     -3.69700240      5.77102161      0.79102504
  O     -0.69569596      1.99393632     -2.06673573
  H     -2.81814804     -0.97894809      1.87838773
  H      1.06288948      2.87506216      0.59858571
  O      1.21336299      3.89584774      4.13221946
  H      0.69496223      0.28688141      2.90928441
  H      0.20875869      2.11665714     -0.50167637
  O     -4.50637490      5.41860134      0.39440920
  H      0.29727340      0.75182606      1.49308894
  H     -1.09382858     -2.10796539      0.27845632
  O      0.51516305      2.09749581      0.41337234
  H      2.77977295      0.99570741      4.09269873
  H      0.05949237     -1.26507649      0.84909918
  O     -0.18739275     -1.82817593      0.10321957
  H      1.68105459      2.06301264      4.12292753
  H      0.58961074      7.13050886     -0.47124353
  O      0.17286303      6.40317696     -0.01675188
  H     -4.40511800      5.08093298     -2.73309705
  H     -0.22669691      5.83961342     -0.70449755
          69
 Energy    -248.27273263241676     
  O     13.58620465     13.47771803    -14.43035220
  H     14.37499225     13.77514916    -14.89837914
  H     17.89682087     10.75227228    -15.37528482
  O     17.43588951      6.98992821    -14.44194694
  H     13.17693331     12.81229226    -14.99699019
  H     15.53358846      8.89769748    -18.30947161
  O     17.77308800     13.53656091    -13.83024672
  H     17.20321606      7.26155354    -15.33637715
  H     15.32099151      9.03735787    -19.83390376
  O     15.04282714      5.71924875    -13.57054593
  H     16.68615615      6.46797620    -14.12811056
  H     16.55929568      9.90090459    -12.92820295
  O     16.15757450     10.86384504     -9.59590250
  H     17.22496969     13.66705024    -14.61289908
  H     15.96344311     11.29830631    -12.59863915
  O     14.79966730      7.24828602    -11.37893808
  H     18.32408243     12.76218707    -13.99328828
  H     12.61403089     10.56078302    -16.64122230
  O     13.61434373     13.49760868    -11.72065715
  H     14.90020387      4.80663009    -13.33573912
  H     13.76731050     11.57109341    -16.61071345
  O     12.59420142      8.95099596    -17.51533570
  H     14.94440824      6.24105374    -12.75256270
  H     17.91864188      8.73321306    -11.80047306
  O     17.10140468      8.43586044    -10.17297035
  H     15.19054820     10.91534031     -9.57682574
  H     17.96227649      8.23346628    -13.28879984
  O     16.22110271      8.19490723    -16.79708212
  H     16.42669495     11.58496799    -10.17906427
  H     12.68548549      9.24155854    -12.34894909
  O     13.90266371      7.51149804    -15.41352247
  H     15.54167706      7.66429724    -10.92488733
  H     11.58629398      8.62713271    -11.45030209
  O     16.98294701     10.60987639    -15.64743009
  H     14.03538647      7.82744244    -11.27619227
  H     15.45774422     13.18016204    -11.61232750
  O     15.06291850      9.40526591    -18.99245886
  H     13.54794032     13.47613928    -12.69118803
  H     16.85699173     13.19070681    -12.32623329
  O     15.84666414     10.51383006    -13.15019644
  H     13.16640710     14.29037014    -11.43560483
  H     18.96866047     10.33585337    -13.57179327
  O     12.94552100     11.33415658    -16.16160988
  H     12.91151653      8.30117419    -16.87440735
  H     20.24105957     10.98287306    -14.16162168
  O     18.14490897      8.98643265    -12.70436656
  H     13.31264730      9.06185633    -18.14952588
  H     16.02538399     11.40927257    -16.87581640
  O     12.49068776      8.93093683    -11.44804148
  H     16.77563258      9.32196778     -9.92572230
  H     15.26363881     11.14495694    -18.19119981
  O     16.34046642     12.78812738    -11.61325874
  H     17.48285178      8.05476786     -9.38692862
  H     13.04619971     10.43996610    -10.43765357
  O     19.28903922     11.03938621    -14.16233280
  H     16.54330968      9.00905774    -16.38303040
  H     13.39611575     11.93836725    -10.58389779
  O     15.41131582     11.81279573    -17.51174774
  H     15.41034348      7.94080139    -16.32945792
  H     16.00591779     14.89096569    -16.50736064
  O     13.43194780     11.19213040     -9.97315091
  H     14.19737271      6.79653629    -14.83611433
  H     15.74613983     13.37796436    -16.66339948
  O     15.91862455     14.07804198    -16.01381708
  H     13.69007389      8.25936187    -14.83639595
  H     13.12774787     10.36116269    -14.61857601
  O     13.35153511      9.77376356    -13.88630817
  H     16.46528449     10.64974349    -14.82923598
  H     14.23019613     10.03683551    -13.56876855
          69
 Energy    -248.27272712221287     
  O      0.72402746      0.86643575      4.06428803
  H      1.46147660      0.99336886      4.65648003
  H     -4.21966119      3.50369040      1.32662902
  O     -0.50981794     -1.70161953     -3.27349478
  H     -0.06966977      0.79486081      4.62429744
  H     -2.31898419      0.35037628      5.38135478
  O     -2.42092923     -0.69596535     -1.48861899
  H     -1.26817308     -1.29315725     -2.83189433
  H     -1.92061944      1.81681496      5.54365159
  O     -0.02924975     -3.93999252     -1.51616034
  H     -0.38886952     -2.55464072     -2.83866461
  H     -0.81389383      2.45052820     -0.11077203
  O      1.84242330     -2.25204082     -0.47978041
  H     -3.11521943     -0.12897571     -1.12716138
  H     -2.01503521      3.40921972      0.17021427
  O     -4.72224756      3.13302608      2.97482713
  H     -2.49761143     -1.55384263     -1.04813095
  H     -3.58962394      0.71934843      0.78503141
  O     -3.27184206     -3.06860830      3.81716821
  H      0.36869878     -4.78188244     -1.72125592
  H     -4.15940324      1.86502113     -0.06737833
  O     -0.95135936      2.81799333      2.90320630
  H      0.66380442     -3.39580591     -1.10123516
  H     -3.06657730      0.30448605      3.09178177
  O      1.59630638     -0.19849648     -2.46309201
  H      1.68446536     -1.77824010      0.34690488
  H     -2.07151571      1.31899240      2.46267190
  O     -6.17100404      0.73477807      3.65587711
  H      1.93468055     -1.56810220     -1.15549964
  H     -1.62047299     -3.54272056     -0.61884667
  O     -3.82062330     -0.41813799      4.61073777
  H     -4.10950071      3.27468062      3.70623617
  H     -1.96869819     -2.76939117      0.67697822
  O     -3.93716365      3.65293537      0.40647206
  H     -5.24743172      2.35748079      3.20508681
  H      0.97242813     -0.10827529      2.47423480
  O     -1.56358257      0.92085075      5.57726366
  H     -2.50854488     -2.76475847      3.29651914
  H      0.55329545     -0.07210341      0.97171383
  O     -1.05962818      3.30839380      0.26231938
  H     -2.98852244     -3.84374076      4.29582127
  H     -2.43002679      4.37040349      5.26653670
  O     -4.09912613      0.90390023     -0.02013115
  H     -0.20460583      2.26771774      3.16426045
  H     -2.00258915      3.37322355      4.16220873
  O     -2.59325003      0.52950759      2.27918347
  H     -0.86221457      3.07363563      1.97266303
  H      0.46695528      0.57079514     -1.17258872
  O     -2.34956957     -3.13419530     -0.13557889
  H      0.87300724     -0.71179910     -2.86780452
  H     -0.99653964      0.23258585     -0.80516972
  O      0.98161485     -0.61384994      1.65268525
  H      2.10737244      0.17180131     -3.17702325
  H     -1.84702569     -1.08350095      2.15566031
  O     -2.62926565      3.51412671      4.89595655
  H     -6.19011359      0.24917496      2.80956925
  H     -0.45245380     -1.70317395      2.05362737
  O     -0.21752070      0.72427007     -0.50866482
  H     -7.06961833      0.77414701      3.97126641
  H     -4.39686024     -3.16655325      2.21671288
  O     -1.38058688     -1.93359698      2.17799453
  H     -3.79141664     -1.36516396      4.42445021
  H     -4.07321816     -3.19221865      0.71447107
  O     -4.78946132     -3.04456879      1.34495064
  H     -4.70599186     -0.09056303      4.40272317
  H     -5.71164950     -1.48047253      1.30330642
  O     -6.06351674     -0.57908680      1.33001511
  H     -4.40280944      4.42691896      0.10072913
  H     -5.52315742     -0.06232420      0.71931882
          69
 Energy    -248.27269121838555     
  O     -3.85089055     -0.83823548      2.11848023
  H     -4.16866492     -0.02170619      1.69915626
  H     -2.64839150      3.80352693      0.60132774
  O      0.37095553      1.78169705      3.69058722
  H     -3.50990899     -0.57508898      2.98165462
  H     -7.46995149      1.90478831      1.72235632
  O     -1.96894486     -1.28415940      0.15951526
  H     -0.42969367      2.29682400      3.85394869
  H     -7.42521764      2.45027704      0.25311335
  O     -3.04890320      2.55396215     -2.12833410
  H      0.20962717      0.91544988      4.08454231
  H      2.11330844      1.58626351      1.04749431
  O     -4.60000492      1.47944833      0.89736497
  H     -2.35848997     -1.87365758     -0.49867551
  H      0.93198890      1.54197795      2.04324070
  O     -7.62332136      0.46309696      2.89474628
  H     -2.61813496     -1.18995185      0.87196544
  H     -4.73793637      0.85506580      4.57737438
  O     -7.58036700      2.07861829     -1.50624982
  H     -2.29051694      2.10240420     -1.73543358
  H     -5.34753563      2.26184305      4.41031448
  O     -2.90802592      0.27048850      4.48544529
  H     -3.75355692      1.89503767     -2.17991484
  H     -2.99378666      3.38992164      4.14990892
  O     -3.66347121      4.75268978     -0.63618611
  H     -5.43138489      1.93405626      1.08055796
  H     -2.18789968      2.99378223      2.89981910
  O     -5.15267076      0.72298584     -1.69892635
  H     -3.87672800      2.10190959      1.03772585
  H     -5.06358438      4.76483018      4.81900246
  O     -6.00576909     -1.96251197     -1.34750310
  H     -8.36326579      0.27106525      3.46509233
  H     -4.95766460      4.34346554      3.33640087
  O     -2.31157440      3.09211314      1.15961456
  H     -6.88803210      0.73158154      3.47593711
  H     -6.90906983     -0.93744314      1.78088173
  O     -7.15032655      2.62533228      1.16505912
  H     -6.74874517      1.61309515     -1.68733846
  H     -5.49483586     -1.52188637      1.66627536
  O      1.21506914      1.28266639      1.14808508
  H     -7.76861697      2.59471376     -2.28645609
  H      0.12019637     -1.51812096      5.02798376
  O     -5.57041508      1.32339937      4.44127538
  H     -2.65377705      1.18151782      4.27593340
  H     -0.15362047     -1.13307250      3.55544610
  O     -2.20792821      2.90850511      3.86663775
  H     -2.08127192     -0.21137053      4.61271198
  H      0.70383122     -0.53796015      1.56726304
  O     -4.74745209      4.07034528      4.24689602
  H     -3.43012119      5.54032968     -1.12083084
  H     -0.48712703     -1.45607540      1.24737719
  O     -6.38792174     -1.58899775      1.29860242
  H     -3.50251146      4.00173677     -1.23563991
  H     -3.36709026     -3.83547111     -1.81786277
  O     -0.34540530     -0.89239997      4.47986955
  H     -5.38668424     -0.21201533     -1.69820218
  H     -4.29855057     -2.64541732     -1.54204457
  O      0.24439563     -1.33121893      1.86743782
  H     -4.90241347      0.94376917     -0.78740915
  H     -1.41374698      0.36946693     -0.34375800
  O     -3.36765472     -2.90790451     -1.59294959
  H     -6.81977109     -2.25187549     -1.75108416
  H     -0.21048032      1.30425938     -0.06341491
  O     -1.07253518      1.26306008     -0.49741249
  H     -6.18881694     -1.85345661     -0.39637153
  H     -4.89704600      4.79155850      0.88140683
  O     -5.41528445      4.71249649      1.68937843
  H     -1.83788777      2.46990328      0.58885046
  H     -6.13987224      4.10081176      1.49121728
          69
 Energy    -248.27228222560944     
  O     -1.41594633      3.13525389      4.48779314
  H     -1.87286303      3.15813340      5.32444133
  H     -2.29037918      3.39381276     -2.59336926
  O     -3.50250660      0.71793429     -1.19408151
  H     -1.57225888      3.99517345      4.05530117
  H      2.16717509      4.69497566      3.63713995
  O     -2.96211201      2.03553936     -3.70126557
  H     -3.69955182      1.48200474     -0.63771143
  H      2.97433832      6.00325867      3.81472889
  O     -3.86632713      5.82423702      1.23498144
  H     -3.38979391      1.07306731     -2.08374386
  H      1.14207635      2.41733580      1.57277316
  O     -1.29544019     -0.16640108      0.19063703
  H     -3.57484224      2.08607851     -4.43030777
  H     -0.38429108      2.55402884      1.39646835
  O      0.48779177      0.24958886     -1.99219878
  H     -2.19938115      1.51652060     -4.01088022
  H     -2.85693419      3.41972617     -0.43746609
  O      1.46179743      3.26271317      4.34465246
  H     -4.55535138      6.47972236      1.17258847
  H     -3.75250497      4.01670789      0.66886742
  O      2.12415730      1.18485590      2.58113144
  H     -3.16430820      6.09124312      0.61224460
  H     -1.01783321      5.61256974      2.54636112
  O      0.91958049     -1.15767526      1.50472678
  H     -1.44337830      0.43437427      0.93603472
  H     -2.55935017      5.58779570      2.57831960
  O      3.87362445      4.08201821      0.99174667
  H     -2.08168150     -0.05860144     -0.36420436
  H     -1.78969201      2.14653487      2.95942323
  O     -1.76946361      6.29918749     -0.40038810
  H      1.35490014      0.00478852     -1.63644819
  H     -2.49335205      2.28923039      1.56038893
  O     -1.86969648      3.91938913     -1.90241967
  H     -0.14976130      0.12845658     -1.27661503
  H      0.43340744      4.69029461      1.19885747
  O      2.54330518      5.45792997      3.16223308
  H      1.73885404      2.46779420      3.86855423
  H      1.17792837      5.81967026      1.92657883
  O      0.46237435      2.91012206      1.09794956
  H      0.50701825      3.18893438      4.45629115
  H      1.83572998      4.51445574     -1.41660078
  O     -3.42691029      3.18317549      0.30988703
  H      1.69244532      0.35930967      2.32930531
  H      1.68233056      5.63072879     -0.37402885
  O     -1.77389727      5.42022048      3.11334187
  H      2.96561369      1.22011630      2.10573147
  H      0.68360525      2.96191170     -0.65480547
  O     -1.85278420      1.77196071      2.07263881
  H      0.75744716     -2.02321829      1.87229075
  H      0.72791342      2.09480699     -1.92221322
  O      0.46044611      5.65578153      1.30052810
  H      0.11289513     -0.90634498      1.02532559
  H     -0.29403486      0.37051062     -3.58056762
  O      2.30924569      5.24487699     -0.99441031
  H      3.53424461      4.55095763      1.76124891
  H     -0.20393453      0.32741408     -5.11526854
  O      0.71855519      3.01129103     -1.62334604
  H      3.44633113      4.48671964      0.22336449
  H      5.29608802      1.30210989      1.02887481
  O     -0.78498188      0.56224835     -4.39659800
  H     -0.95288359      6.20803113      0.10540612
  H      4.22607520      2.41070492      0.90265513
  O      4.35875718      1.44515967      0.92919299
  H     -1.77599953      5.58075662     -1.04830360
  H      3.33929174      0.26299414     -0.18688083
  O      2.74501747     -0.38318512     -0.58706707
  H     -0.94518113      3.63388372     -1.86652012
  H      2.24374986     -0.76731376      0.14318071
          69
 Energy    -248.27217783155700     
  O     -0.32784511     -2.52827519      0.44769866
  H      0.42604097     -1.97274693      0.68353187
  H     -3.96654750     -3.26238766      1.48615708
  O     -1.12647992     -0.27408203      7.02665933
  H     -1.03907574     -1.96865994      0.11193490
  H     -3.22936627     -6.85241240      0.34488859
  O      2.04390959     -3.65016783      2.87875506
  H     -2.08686581     -0.31540293      7.10671398
  H     -2.41555456     -6.16965025      1.46628725
  O     -0.10949899      0.12032757      3.03673462
  H     -0.86354293     -1.08979486      6.57643471
  H      2.13142087     -4.94513786      4.29079259
  O      0.06500357     -5.09556700      6.82810748
  H      1.08403999     -3.69355686      2.99103826
  H      1.57657257     -6.38623168      4.33769341
  O     -4.00434392     -0.36547796      6.74071331
  H      2.20122446     -2.78085172      2.49305414
  H     -0.68514484     -3.26263583      2.05110361
  O     -0.68619189     -2.67005561      5.67036298
  H     -1.02469879     -0.01458379      2.75990491
  H     -1.00488409     -4.53703242      2.93170992
  O     -2.44449192     -5.69713279      5.58131157
  H     -0.14918981      0.70055924      3.80568670
  H     -3.67735967     -2.87961673      4.16229205
  O     -3.30808674      1.22624842      4.64150011
  H      0.42224668     -5.29659582      7.68866959
  H     -2.55892891     -3.08970189      3.12452184
  O      1.80317896     -1.10082939      1.61038918
  H      0.75086833     -5.32431630      6.17489963
  H      1.23761803     -7.09145501      2.35158220
  O     -1.59431576     -6.23825303      3.04377198
  H     -3.83222935      0.20495553      5.97020511
  H      1.13871756     -8.50578389      2.98163080
  O     -3.90070837     -3.43648966      0.53709699
  H     -4.67709245      0.07044704      7.25696321
  H     -2.81895986     -0.38473852      1.34237398
  O     -2.77306180     -6.04537811      0.57107605
  H     -0.62497485     -2.84757465      4.72472320
  H     -3.12142819     -1.08943586      2.68051392
  O      1.84882875     -5.64469343      4.89283553
  H     -0.35628144     -3.45574789      6.12752635
  H      2.06579822     -5.15192936      1.65266263
  O     -0.78521576     -3.59400433      2.95623618
  H     -1.63196112     -5.59136845      6.09319470
  H      1.15944129     -5.74633864      0.54317442
  O     -3.47256742     -2.78867577      3.22361136
  H     -2.98446917     -4.92352671      5.78164194
  H     -1.09983935     -5.51323386     -0.23663808
  O      0.84801518     -7.60438290      3.08563930
  H     -2.42214244      1.55657885      4.83605907
  H     -0.24366317     -4.23367467     -0.28353046
  O     -2.81578132     -0.25432563      2.29734459
  H     -3.24829048      0.82325533      3.76546536
  H     -0.12439102      2.46639689      5.74676089
  O      1.82331295     -5.97429347      1.21144014
  H      2.41920042     -0.45043763      1.28518800
  H     -0.69097186      1.04636595      5.98670075
  O     -0.22268908     -5.18358962     -0.46222215
  H      1.15923905     -0.62653885      2.16978387
  H     -2.49822088     -2.89916882      5.92411908
  O     -0.56316985      1.73967163      5.31383000
  H     -0.80488288     -6.79199559      3.10085199
  H     -3.80052261     -2.18360816      6.31849520
  O     -3.45804725     -3.02138901      5.98226252
  H     -1.96988185     -6.13846079      3.93240495
  H     -3.00195658     -0.91850392     -1.21252085
  O     -2.67051809     -1.21110180     -0.36826831
  H     -3.56680892     -4.33811430      0.45777978
  H     -3.16544501     -2.01840431     -0.13260416
          69
 Energy    -248.27183501732696     
  O     -0.85501147      4.25511961      3.14946026
  H     -0.46770298      3.43747313      3.48627565
  H     -0.25830856      8.40737264      0.40806069
  O     -2.61147322      6.20047410     -0.10667663
  H     -1.67072860      4.04138727      2.67515602
  H      0.98934914      1.29534495      0.86482179
  O      4.53903473      5.79673239     -0.15920548
  H     -1.81142572      6.09476330     -0.63579776
  H     -0.53116946      1.15548039      0.74094594
  O      2.43526899      6.91579579      1.30250260
  H     -2.43543286      6.93772959      0.49340147
  H     -1.45975458      3.58419439     -3.20016313
  O     -0.05239106      5.88652437     -1.35406232
  H      5.33273832      6.15827278     -0.54477153
  H     -0.50945484      4.38925950     -2.26774935
  O      2.17388635      2.40281175      0.02172517
  H      3.93697836      5.59453532     -0.89714553
  H      3.28439833      3.76741998      3.09222689
  O      0.80361703      4.66892340      0.91401361
  H      2.54776425      6.90680575      2.26206053
  H      2.03558702      3.25367447      3.85485443
  O     -1.73691978      8.22382753      1.63036940
  H      3.25808517      6.61923349      0.89265864
  H     -4.57675292      3.98881104     -1.35157492
  O     -1.77834730      2.09100775     -0.40285782
  H      0.20692421      5.37975296     -0.56552731
  H     -3.90313306      5.37941944     -1.28188624
  O     -0.38347012      6.94117658      3.58501644
  H      0.10856377      6.81776146     -1.13424998
  H     -3.53107677      4.26009808     -3.33040806
  O     -2.95122087      3.92026208      1.42047340
  H      1.70506241      3.20169604      0.31109475
  H     -3.35249004      4.22940036     -4.85900514
  O      0.47854663      8.27140507     -0.19997182
  H      2.14914954      2.39324479     -0.94146223
  H      0.54614115      1.25975285      4.46193921
  O      0.21025359      0.94169671      1.31847129
  H      0.25832815      4.52024597      1.69575350
  H      0.43343997      1.52714682      2.94317980
  O     -0.70182362      3.50204669     -2.60250835
  H      1.39530069      5.40795857      1.11446199
  H      0.93219950      2.84906189     -2.81090561
  O      2.68879166      3.95927797      3.83269013
  H     -1.25003705      7.79044812      2.35481085
  H      2.02904747      2.00774251     -3.50739811
  O     -4.38549592      4.78228058     -1.86679558
  H     -2.18733516      8.97221939      2.01266390
  H      2.50618824      5.64925536      4.04521460
  O     -2.96926622      3.91460515     -4.04503151
  H     -1.38480357      2.52322177     -1.17246076
  H      2.94979339      6.92073802      4.80770919
  O      0.56002161      1.95434545      3.80903626
  H     -1.94848960      2.78123185      0.25344751
  H      4.46360397      4.26764723      1.02778951
  O      1.87721371      2.61957217     -2.79199982
  H     -0.61733162      6.00234613      3.54623595
  H      3.64118037      2.97340628      1.02484524
  O      2.42310768      6.62105981      4.07234459
  H      0.54938628      6.96079267      3.82484233
  H     -5.08659835      1.56501808     -0.35275527
  O      4.22946579      3.50915214      1.57444515
  H     -3.71246679      3.44844128      1.06582477
  H     -3.63284525      2.06693634     -0.50014933
  O     -4.54743458      2.35153354     -0.33706020
  H     -2.87922382      4.75283289      0.92900911
  H      2.57165766      4.35886034     -2.44424225
  O      2.71934219      5.25686828     -2.12274907
  H      1.20795376      7.93536031      0.34111580
  H      1.84117434      5.63060311     -1.99563103
          69
 Energy    -248.27180253471465     
  O     17.34445427      7.78948278    -15.78393918
  H     16.57178862      7.22202841    -15.65455485
  H     17.44936591      4.47706304    -12.41428418
  O     20.11033803      6.45252526     -9.67854263
  H     17.96325211      7.29560105    -16.33671581
  H     15.17216194      9.96686581    -15.14285375
  O     15.08887754      9.34949360    -10.65769355
  H     19.59779586      7.26617692     -9.51579405
  H     16.57727519      9.46716465    -15.55029873
  O     13.38859005      9.52470631    -14.63441230
  H     20.81290569      6.44024440     -9.03427368
  H     19.07553558      7.22995073    -13.01499887
  O     19.06449574      6.05641406    -17.12976271
  H     16.01113506      9.50086119    -10.90893586
  H     18.15725501      7.87654304    -14.12474661
  O     17.85224971      4.66860017     -9.57472560
  H     14.57769962     10.02894074    -11.11683390
  H     13.39267455      6.87304413    -12.75843861
  O     14.29079673      6.81189748    -11.21994376
  H     13.21996472      8.63951690    -14.27915089
  H     12.14075064      6.47460425    -13.56477642
  O     20.07169770      5.80727516    -12.40392380
  H     12.65813452      9.72944160    -15.21500057
  H     15.78909908      7.26978611     -8.39102948
  O     15.32531333      5.47418475     -9.00367915
  H     19.59324676      5.67974987    -16.40293273
  H     15.59030633      8.69563812     -8.92791808
  O     16.46352029      5.93174907    -12.69659889
  H     19.64029057      6.11979575    -17.88675593
  H     17.91494835      3.13094931    -15.37785056
  O     20.33671879      4.87184313    -15.05623269
  H     18.61161121      5.26025020     -9.51429499
  H     18.58964905      1.76666103    -15.09874807
  O     18.11950991      3.79784615    -12.23510214
  H     17.96093295      4.18819984    -10.40576774
  H     14.86524910     11.61407992    -12.62280407
  O     16.08147317     10.25398533    -15.29135589
  H     14.50996685      6.28804480    -10.43805905
  H     13.72684871     10.71496583    -13.13121103
  O     18.37733182      7.87727470    -13.18376583
  H     14.53077378      7.73171798    -11.02182471
  H     17.78398213      8.47692807     -8.76354963
  O     12.96992964      6.94257530    -13.63149730
  H     20.23755124      6.08165930    -11.49243335
  H     18.40383390      9.21086284     -9.97072458
  O     16.04432923      8.18725243     -8.24263147
  H     19.46054216      5.05853994    -12.33999556
  H     17.96035876      9.25638796    -12.13799694
  O     18.51723202      2.66037518    -14.77456585
  H     14.98999869      4.88957754     -8.32887497
  H     17.42707730     10.71531399    -12.06529767
  O     14.01630033     11.22919200    -12.36852130
  H     16.23354081      5.18053831     -9.19752047
  H     14.38772471      6.27072410    -14.88767111
  O     18.61676310      8.62595766     -9.23319831
  H     17.09985599      6.65742938    -12.75916413
  H     15.74108352      5.86648869    -14.30645026
  O     17.66885012      9.95115436    -11.52852228
  H     15.74478392      6.22036055    -12.12094480
  H     16.28223776      4.70753561    -16.09877546
  O     15.27025063      5.99237470    -15.14693149
  H     20.43913980      5.24930850    -14.17350935
  H     17.63740161      4.78799617    -16.83227721
  O     17.00133314      4.16885582    -16.45244322
  H     19.85521560      4.04330951    -14.93777017
  H     17.00439376     12.77098738    -13.58665348
  O     16.66756311     11.94130999    -13.25964787
  H     18.21964091      3.28188582    -13.04360447
  H     16.52326977     11.36902351    -14.03520759
          69
 Energy    -248.27137475763683     
  O     -8.16959340     -2.16478048      6.19667215
  H     -8.78510715     -1.43710132      6.34154056
  H     -3.00356011      0.98853837      2.22404260
  O     -9.39040303     -2.32239830      1.84303723
  H     -7.29638866     -1.85855830      6.46930857
  H     -6.87382195     -0.71802879      3.28877812
  O     -8.31504754     -3.81085050      4.05000759
  H     -9.13576825     -2.94584825      2.53478095
  H     -7.32440456      0.70891928      2.80361394
  O     -5.60160392      0.36704706      0.44910154
  H     -9.80684872     -1.59279584      2.32001749
  H     -4.97322370     -1.59258839      7.56277835
  O     -6.45668207      1.18017567      5.91674187
  H     -8.31764707     -3.23736574      4.83752085
  H     -4.99103007     -1.34953469      6.03421023
  O     -4.76965293      4.97704440      0.92774171
  H     -8.46030258     -4.70099275      4.35850238
  H     -2.02440331      2.92771974      1.98416105
  O    -10.10112179     -0.02518638      6.47969774
  H     -6.04458376     -0.46656376      0.26017235
  H     -0.81458079      2.17267530      1.37944569
  O     -4.20866279     -1.46365739      4.50544892
  H     -6.30875928      0.98137769      0.70758848
  H     -9.04444221      3.38378601      4.89575907
  O     -4.02144532      2.63203888     -0.25191302
  H     -6.76315877      0.81952206      5.06737187
  H     -8.27422177      4.05127696      3.73335088
  O    -10.06281634     -0.25809132      3.62695080
  H     -6.08417167      0.43434960      6.40244676
  H    -10.35160265      1.31355302      2.56954731
  O     -7.17346538     -2.02872742      0.27013745
  H     -4.81042958      5.67373062      0.27811247
  H     -9.96639772      2.79458788      2.75521466
  O     -3.78875880      0.57824498      2.60789610
  H     -4.56157347      4.15680023      0.44582600
  H     -6.85726085     -3.01441351      3.26298858
  O     -7.29821081      0.10463056      3.55850690
  H    -10.84195418     -0.03483997      7.08169605
  H     -6.37456948     -2.41445403      1.91572900
  O     -5.51216863     -1.25395406      6.85344848
  H     -9.70383959      0.85733351      6.54386649
  H     -7.88491508      2.04282366      6.41971087
  O     -1.76445073      2.15354740      1.45265819
  H     -4.80932050     -1.96982918      3.93934151
  H     -8.63767782      3.08735750      7.28035929
  O     -9.16008249      3.83504373      4.05365402
  H     -3.90768732     -0.73855176      3.94384474
  H     -3.42086007      4.63685719      2.26981915
  O    -10.18419296      2.13019054      2.08335942
  H     -3.17787125      2.42833203      0.17114401
  H     -3.36773379      3.78018278      3.54936258
  O     -6.17839915     -2.45667628      2.85959057
  H     -4.55191572      1.82823219     -0.18438473
  H     -5.17398267      2.19757589      5.02069690
  O     -8.76142695      2.42259555      6.60686561
  H     -9.09860196     -0.15251670      3.62325051
  H     -4.38154836      1.88603562      3.72960684
  O     -2.81145737      4.21272561      2.88741249
  H    -10.30874489     -0.23310809      4.55675096
  H     -7.19628904      2.72954761      1.91737999
  O     -4.65226143      2.60540817      4.31962210
  H     -8.01988569     -2.06926453      0.75085873
  H     -8.50453087      1.98765803      1.52207241
  O     -7.53786365      1.93826277      1.48098328
  H     -7.28915486     -2.54775265     -0.52172368
  H     -5.89991990      3.61729828      3.46569143
  O     -6.54082976      4.09751814      2.92216935
  H     -4.41118073      0.43141559      1.88253454
  H     -6.02941020      4.54421968      2.23545012
          69
 Energy    -248.27135482562824     
  O     12.38477218     14.79229747    -11.33744223
  H     12.51362577     13.87790242    -11.02593533
  H     15.33552382     13.43688504    -17.09344795
  O     15.51561429     10.23876055    -18.08563517
  H     11.80158251     15.21530547    -10.71351269
  H     12.30661111     13.62865233    -15.52799536
  O     15.21983367      9.54322091    -11.78850262
  H     15.24522001     11.15422355    -17.88992886
  H     11.35617347     13.42234768    -16.73329335
  O     14.17304270      8.77263151    -16.11989859
  H     15.64519895     10.18468546    -19.02846129
  H     19.22139847     12.69380655    -12.02846500
  O     14.58465526      6.83833522    -11.29159497
  H     15.57169467     10.37047202    -11.44447263
  H     18.07722839     12.51727384    -13.04363023
  O     15.66524863      5.82405120    -13.56636789
  H     14.27368683      9.69494894    -11.93151992
  H     13.92836522     12.23305780    -10.54582518
  O     14.78538084     12.39063142    -13.77126299
  H     14.87799417      8.69418928    -15.45852474
  H     12.68229522     11.47896697    -11.05932433
  O     12.49345565      9.98954325    -12.19664887
  H     14.57228986      9.18015336    -16.89854728
  H     16.94217680     10.13656893    -16.80366612
  O     16.18220794      8.51956839    -14.21155354
  H     13.63866162      6.90674992    -11.47131400
  H     17.19607371      9.53422312    -15.40232078
  O     17.40987140     12.52930320    -14.71805097
  H     14.91247751      7.74806400    -11.27603629
  H     13.34692041      7.27246787    -15.30981565
  O     12.77502928     10.75275750    -14.83239588
  H     16.16343646      5.02212129    -13.43631474
  H     13.96845865      6.18781291    -14.41124333
  O     14.75644083     12.75279406    -17.45034608
  H     15.32851569      6.09418060    -12.69255904
  H     15.47692097     15.71648748    -13.31843922
  O     12.14271397     13.08089543    -16.31633560
  H     14.22641509     11.71966380    -14.18128666
  H     14.36116008     15.58358543    -14.34541666
  O     18.29622143     12.47526547    -12.09820631
  H     15.65273947     12.38497613    -14.19682808
  H     16.69398589     12.34757407    -11.34305192
  O     12.96342148     12.26329268    -10.57030670
  H     12.47069970     10.27763683    -13.12103112
  H     15.32500077     12.33880895    -12.07467354
  O     17.54015099     10.16736031    -16.04763111
  H     12.17623135      9.07783523    -12.17661494
  H     12.54917001     14.60103892    -13.17647641
  O     13.12595611      6.57982162    -14.67415853
  H     15.92119906      8.94025110    -13.38072714
  H     13.60982694     13.75326681    -13.91205795
  O     15.28304703     15.85378323    -14.25642931
  H     16.16116961      7.56686969    -14.05617368
  H     11.13874558      6.71958356    -12.19403879
  O     15.73776530     12.28802529    -11.19540868
  H     17.53944520     11.71978741    -15.23628696
  H     12.28109560      7.00358038    -13.19854352
  O     12.87907918     14.37757711    -14.05532896
  H     17.26804755     13.26643586    -15.32340190
  H     15.56571616     14.31311515    -11.28121325
  O     11.92537772      7.24250185    -12.32374483
  H     13.17656641     10.05291128    -15.36648070
  H     14.31376235     15.18878189    -11.38575268
  O     15.26767847     15.19314378    -11.53262035
  H     12.44200059     11.43820309    -15.42271885
  H     16.13307367     15.14029813    -15.57458843
  O     16.55430030     14.66810630    -16.31597656
  H     13.86987102     12.92802971    -17.11457252
  H     17.03280974     15.32073928    -16.81999573
          69
 Energy    -248.27115340118161     
  O     -7.45055086     -3.01773944      6.10124868
  H     -6.75932751     -2.46916138      6.48700915
  H     -2.91361250      1.50161178      2.89429435
  O     -8.86351690     -2.57319476      2.81218912
  H     -8.27641004     -2.51434657      6.15394936
  H     -6.34504291     -1.16084091      3.29940479
  O     -7.11179003     -4.46790924      3.88136625
  H     -8.37177148     -1.84035605      3.21385883
  H     -7.27695517      0.03048995      2.86558206
  O     -5.22684355      0.65424167      0.83544078
  H     -8.39796890     -3.37374165      3.08202221
  H     -4.77395464     -1.50520287      7.81926139
  O     -6.80375401      0.76767336      5.94890171
  H     -7.21935865     -3.98609069      4.72504710
  H     -4.73676063     -1.33453767      6.28145570
  O     -5.03550066      5.14281286      1.09818778
  H     -7.08086193     -5.39573494      4.09429930
  H     -0.92096728      3.12299904      2.45790883
  O     -9.81347972     -1.53005056      6.09008516
  H     -5.23504598     -0.24705558      0.49036243
  H     -2.36310606      3.58600889      2.78311629
  O     -3.82786222     -1.33186766      4.80423765
  H     -6.14716264      0.90345786      0.98225933
  H    -10.69904093     -0.00553834      3.26494236
  O     -3.70291003      2.96631581      0.14624154
  H     -6.31514508      0.16880291      6.52545148
  H     -9.95304001      1.06557431      4.07375218
  O    -11.33595555     -1.78481463      3.64911830
  H     -6.90279985      0.28868914      5.10847183
  H     -5.30809816     -2.56392658      1.83480541
  O     -5.58457514     -2.04537232      0.04758148
  H     -4.57364629      4.40163830      0.66695430
  H     -5.84296491     -3.35271355      3.07738583
  O     -3.64621004      0.92851687      3.15408140
  H     -5.10184170      5.84075501      0.45259220
  H     -8.24304581     -0.48185879      0.56194654
  O     -7.05227028     -0.56983013      3.58814230
  H    -10.44623451     -1.69312423      5.38123968
  H     -8.52891429     -1.90169752      1.08802983
  O     -5.32184566     -1.32166223      7.06130911
  H     -9.74395315     -0.56970852      6.14561605
  H     -9.72393499      2.06140437      6.45187895
  O     -1.83870052      2.90344749      2.32556906
  H     -3.65205688     -0.51082761      4.32593413
  H     -8.51185579      1.21609614      5.99863943
  O    -10.16464444      0.79127980      3.17215896
  H     -4.19467661     -1.92913404      4.13889138
  H     -4.07381838      4.98461036      2.75130550
  O     -5.27081973     -2.62613781      2.79676272
  H     -4.21935245      2.15840705      0.26250487
  H     -4.15648134      4.12344005      4.03055872
  O     -8.19431649     -1.41587029      0.32207842
  H     -2.95749457      2.89893141      0.75645574
  H     -4.70640338      2.06080695      4.11684029
  O     -9.47354198      1.32190294      5.90401421
  H    -10.51938391     -2.16968428      3.28600310
  H     -5.80702195      2.16087796      5.18978151
  O     -3.55265304      4.65609698      3.49545772
  H    -12.06182569     -2.28886782      3.29124284
  H     -8.82913132      1.04386652      2.04718318
  O     -5.28373946      2.68902755      4.57560193
  H     -5.38080336     -2.45935011     -0.78652710
  H     -7.65588218      2.03133911      1.79769861
  O     -7.98715561      1.14591385      1.57368530
  H     -6.54531851     -1.88039724      0.05814820
  H     -6.37123535      4.09679058      1.91541652
  O     -6.89495379      3.44414571      2.39380340
  H     -4.18573835      0.78456773      2.36478471
  H     -6.39704141      3.23468408      3.19548272
          69
 Ord_Energy   -248.270874    
 O   -5.17271423       1.65548432      0.143377215    
 H   -5.78861141       2.34185171     -0.150012165    
 H   -5.34791040       1.51654792       1.08218479    
 O   -2.76266122       2.26319933     -0.840755939    
 H   -2.36169672       1.50769687      -1.26121926    
 H   -3.63385272       1.97559035     -0.510156810    
 O   -5.84402084       7.97298956       4.42852020    
 H   -5.74095440       8.45399666       3.59357905    
 H   -5.94933653       8.63777161       5.10472107    
 O  -0.548282623       8.19570541      -1.90826476    
 H   -1.06908154       7.74976969      -2.60156488    
 H   0.248312309       8.51356506      -2.32439256    
 O   -4.68216181       5.04060078       1.32355726    
 H   -3.87024117       4.51550484       1.34837854    
 H   -5.32223606       4.57889700      0.772677779    
 O   -2.99593782       9.29019928      -1.01248288    
 H   -2.09686017       9.10216522      -1.30679989    
 H   -3.20344448       8.62089634     -0.342622519    
 O   -4.63796520       8.36496258      -3.13278842    
 H   -4.02353859       8.69279671      -2.46081114    
 H   -5.48291969       8.78311539      -2.91178489    
 O   -5.19976377       5.29876375       4.04325151    
 H   -5.05138206       5.27711964       3.08534884    
 H   -5.39815521       6.21517992       4.27591515    
 O   -7.00590897       7.44210100      0.190702394    
 H   -7.54930592       6.77282906      0.624224067    
 H   -6.55839109       7.95230436      0.877014697    
 O   -2.15291142       3.81339025       1.43068504    
 H   -1.62153316       4.54986811       1.10475326    
 H   -2.23455572       3.18706369      0.698042989    
 O   -7.37297440       3.76894879       3.19536471    
 H   -6.73147917       4.32308960       3.66185117    
 H   -6.92834282       2.92358780       3.06526423    
 O   -2.21934843       6.93216133      -3.63665652    
 H   -3.05636382       7.40262794      -3.73812723    
 H   -2.43116093       6.11669588      -3.16135097    
 O   -8.46950912       5.22768164       1.20730066    
 H   -9.42042255       5.18365622       1.26409698    
 H   -8.12016201       4.71746969       1.96044886    
 O   -2.95998454       4.90420485      -1.82699788    
 H   -3.85993981       5.23928308      -1.70799446    
 H   -2.95376921       3.96479392      -1.60846305    
 O   -3.38842726       7.41715479      0.982499957    
 H   -3.96620917       6.64173698       1.03955650    
 H   -2.51102853       7.06113815      0.792755365    
 O   -4.97901678       11.0001163     -0.128886551    
 H   -4.21487713       10.5173988     -0.486455649    
 H   -4.76593113       11.9286194     -0.181619778    
 O   -3.56363559       3.00929785       3.81294608    
 H   -2.92460871       3.25762010       3.13415980    
 H   -4.01180315       3.82301331       4.08438253    
 O   -5.64094877       1.48548853       2.92467284    
 H   -5.72797585      0.703439176       3.46379805    
 H   -4.87357140       1.97633231       3.26882529    
 O   -1.18412864       6.08791018      -4.62437384E-02
 H  -0.738311589       6.77559519     -0.553032160    
 H   -1.79293442       5.66265965     -0.672740340    
 O   -5.48777294       6.10233545      -1.73576570    
 H   -5.22926426       6.79048920      -2.36133313    
 H   -5.95696974       6.56217909      -1.02427006    
 O   -6.62719870       3.91901517     -0.478307068    
 H   -6.33050680       4.58228588      -1.11672068    
 H   -7.37691879       4.29589605      -3.89069988E-04
 O   -6.81156540       9.48888969      -1.81670833    
 H   -7.07585287       8.79662514      -1.19713056    
 H   -6.32721758       10.1304159      -1.28368962    
 O   -5.40136719       9.05378246       1.89943290    
 H   -4.60942221       8.52918053       1.70323253    
 H   -5.35204506       9.83638191       1.33787918    
          69
 Energy    -248.27069497201975     
  O     12.23871572      9.32450270    -11.44066531
  H     12.38801106      8.67120638    -12.13391409
  H     14.53606737     14.21226909     -9.34787954
  O     12.76173568      7.37265376    -13.35960910
  H     11.59067143      9.97007852    -11.74948831
  H      9.84320130     11.38154348     -9.08541159
  O     10.41852016     11.32287742    -12.06402811
  H     12.44578364      6.61319575    -12.85296144
  H     11.32409588     11.83681078     -9.09363345
  O     14.61666064     10.37590736    -10.60798825
  H     12.09457973      7.63733887    -14.00629678
  H     11.94017267      8.87439695     -9.75664616
  O     16.10740205      8.00327352    -10.69141106
  H     11.04439790     11.94119477    -12.46359631
  H     12.29777601      9.49740839     -8.39690315
  O      8.16411237      8.03040674    -10.79013524
  H     10.31634185     11.59314263    -11.14087073
  H     13.36023204      6.24092187    -10.30763036
  O     12.38868472     13.05456507    -12.95531780
  H     13.79694538     10.01520006    -10.98263297
  H     13.30078861      7.35577307     -9.24131668
  O     15.59250387     14.44503406    -10.74852358
  H     15.24552618      9.64606149    -10.56718884
  H     14.96612050     11.66580470    -11.77442522
  O     10.31191722      6.51103712     -9.82096828
  H     16.89557546      7.67003581    -10.27146451
  H     15.29287195     11.86750173    -13.27449136
  O     11.69658621     14.31455420    -10.58380290
  H     15.35769107      7.50257975    -10.32244477
  H     10.77014561      8.57499558    -16.01608435
  O     15.38597643      8.30042761    -13.44713256
  H      7.23660735      7.83109094    -10.88633311
  H     11.52112657      9.50922433    -15.04054061
  O     13.86554366     14.08494815     -8.65505764
  H      8.45860642      8.40832338    -11.63781101
  H      9.60814236      8.91240307    -13.80508738
  O     10.43881012     12.07619715     -9.40092990
  H     12.12511980     13.62403697    -12.21610032
  H      9.39152827     10.02186240    -12.76661654
  O     11.91125453      8.71018156     -8.79753994
  H     13.31923445     12.84600140    -12.80211391
  H     10.03025467      9.32719686     -8.58805529
  O     13.90422223      6.76950447     -9.71174165
  H     15.84884472     15.22025535    -11.24250685
  H      8.73072362      9.21708276     -9.39985782
  O     15.08519737     12.34109344    -12.46018155
  H     15.48347355     13.73751017    -11.40382485
  H     12.36440215     11.72935929    -14.37408655
  O     11.01154518      8.68027870    -15.09949140
  H     10.77321784      7.14291304     -9.25917718
  H     13.48726620     10.82577632    -14.90880149
  O      9.03868148      9.17304360    -13.07396285
  H      9.52888186      6.96908011    -10.15588250
  H     15.42011483      9.81175504    -14.26427663
  O      9.16983770      9.74183469     -8.71914189
  H     12.42590120     14.37699827     -9.95696712
  H     15.97474495     10.64997077    -15.44176146
  O     12.52792304     10.92976815    -14.88779072
  H     11.07582576     13.69774513    -10.17294387
  H     11.37827564      5.74044873    -10.93009292
  O     15.36946780     10.67930975    -14.70593424
  H     14.50400323      7.90303082    -13.47122945
  H     11.99892328      4.44457207    -11.50615396
  O     12.08398498      5.39425348    -11.50616417
  H     15.72293841      8.15709579    -12.55566656
  H     13.32020401     12.28472221     -8.39593662
  O     13.05505317     11.36513899     -8.52616443
  H     14.03936157     14.73916242     -7.98264810
  H     13.66127601     11.02883197     -9.20231960
          69
 Energy    -248.27056983014231     
  O     -6.46644599      2.22656714      0.28987165
  H     -5.60752125      1.77868959      0.25884088
  H     -4.69398319      0.90865804      4.93987936
  O     -4.14443195      2.23897776     -3.41894189
  H     -6.85334396      1.96985257      1.13809600
  H     -0.67391546      0.79610642      1.89673198
  O     -3.63415179     -1.00401115      2.20764224
  H     -4.55346992      1.41387322     -3.10580026
  H      0.43534119      1.85638410      1.73113277
  O     -1.37202261     -1.13798948     -1.44491491
  H     -4.50356640      2.40768749     -4.28688199
  H     -1.29034757      2.38454264      0.62121003
  O     -5.13920485     -0.01687939     -2.23550855
  H     -4.22464530     -1.70990645      1.91951995
  H     -2.29444940      3.47934802      0.16029770
  O     -5.18008221     -2.99591464      0.94189785
  H     -4.06547716     -0.48671494      2.90048395
  H      0.80872669     -1.15862955      1.19032496
  O     -3.90675841     -2.35744344     -1.33732326
  H     -1.49596649     -0.27275084     -1.85955459
  H      1.95033790     -0.16593697      0.91385908
  O     -1.54507013      1.45995518     -2.51398315
  H     -0.47719081     -1.42636432     -1.66437902
  H      2.75578986      2.30959347      0.65173767
  O     -1.04347364     -0.88171445      1.32835169
  H     -4.67819390      0.24058354     -1.42028259
  H      1.70382017      1.65516938     -0.27213180
  O      1.38549337     -1.63110374     -1.77801282
  H     -6.08149786     -0.04382109     -2.01244578
  H     -7.39738612      0.94294667     -0.73654946
  O     -7.22427155      0.96246397      2.61729697
  H     -4.72852963     -2.79548922      0.10070066
  H     -7.72861238     -0.51572161     -0.41603983
  O     -4.70322958      0.84459058      3.98824587
  H     -5.03997385     -3.92390549      1.11137715
  H     -3.22075701      3.40079977      2.38387618
  O     -0.46119813      1.72653092      2.06689548
  H     -2.98703747     -2.06411335     -1.37613594
  H     -2.08727992      2.45058330      2.83811436
  O     -1.83653834      2.67716568     -0.12026935
  H     -4.40589150     -1.68896692     -1.82524837
  H     -8.26669645     -2.16991907      1.43317874
  O      1.71989120     -1.10212973      0.86947636
  H     -1.59309875      1.95461566     -1.67907073
  H     -6.75935600     -2.09206280      1.11283220
  O      1.97336435      1.76462933      0.65741280
  H     -2.33397992      1.71648176     -3.00295111
  H     -3.27314571      1.48604339      0.07641362
  O     -7.64863975      0.10424191     -1.14965083
  H     -1.89956247     -1.03681736      1.74893271
  H     -3.83948874      0.24253749      0.82832505
  O     -2.99493419      2.71966651      3.02785092
  H     -1.18976272     -0.94540283      0.37367287
  H     -4.04240382      4.51360331      0.15751956
  O     -7.56093574     -1.55985552      1.22812348
  H      1.96337797     -2.30819924     -2.11818806
  H     -3.42395808      5.62594240      1.03493471
  O     -4.01726042      0.87431495      0.12230264
  H      1.58731001     -1.53498630     -0.82980123
  H     -4.69452769      3.49153105     -1.96179672
  O     -3.44178866      4.68148979      0.90641284
  H     -7.35131286      0.08812125      2.22863594
  H     -5.67124627      3.48448725     -0.75823794
  O     -4.99247017      4.01097591     -1.20778158
  H     -6.40827685      0.91798447      3.13079230
  H      0.34501542      1.40257253     -2.26835688
  O      1.22695674      1.23019321     -1.91549806
  H     -4.12300116      1.55399916      3.65698695
  H      1.36723258      0.28050342     -2.01739793
          69
 Energy    -248.27051017100885     
  O     14.77711434     10.86616351    -16.00026260
  H     14.55540614     11.79073567    -15.92656032
  H     20.02566931      5.68013397    -16.53132937
  O     13.61004854      3.98637518    -16.19760071
  H     15.61344256     10.74031446    -15.51851991
  H     18.79772176      8.04849781    -17.22018563
  O     17.65195294      6.76013219    -11.42388230
  H     12.78737286      3.62910168    -16.52220648
  H     17.53893142      7.89953899    -16.35514015
  O     19.64290589      6.56676044    -18.10110701
  H     13.68219256      4.89317095    -16.54833019
  H     15.63287247      6.59801642    -16.11348856
  O     17.26926206      5.61229806    -18.91534624
  H     18.54216545      7.09776028    -11.37230347
  H     16.83760033      5.81473372    -15.49850910
  O     13.10041180      6.94437682    -10.18455898
  H     17.17468637      7.31745756    -12.06348946
  H     13.17130090      8.33551366    -14.58847974
  O     14.11235203      4.84171657    -13.57063767
  H     20.18897585      6.67293322    -18.87510161
  H     13.64793075      9.39484547    -15.62319583
  O     16.20032522      8.09248448    -13.26979177
  H     18.79212074      6.20112070    -18.41033783
  H     15.35525117      2.53564214     -9.69128573
  O     17.64343011      4.21668334    -15.11811662
  H     16.53528910      6.18017935    -19.17213195
  H     14.48843268      3.55583753    -10.46931393
  O     12.98625751      4.20919092    -11.08861300
  H     16.88496656      4.84880616    -18.45974169
  H     13.62890191      7.26896544    -16.55686888
  O     16.20623187      3.54376675    -17.39713007
  H     14.00745574      6.72366242     -9.90679602
  H     14.28160337      6.79947002    -17.91200540
  O     20.15128885      5.19949809    -15.69866268
  H     12.68719796      7.38666189     -9.44796183
  H     17.09279620      5.13957692    -12.14539001
  O     18.13602633      8.55923771    -16.74268945
  H     13.96295186      4.46373391    -14.44577140
  H     16.34728246      3.84911119    -11.73663987
  O     16.44605180      6.69136582    -15.60247818
  H     15.02943252      4.67162343    -13.32046749
  H     16.36082250      6.43433417    -10.07518545
  O     13.13761783      8.58187673    -15.52152819
  H     15.26109366      8.02803654    -13.05292393
  H     15.61800253      5.16966858     -9.61151270
  O     15.39897279      3.34380154    -10.19455702
  H     16.31587346      7.59511572    -14.09490053
  H     14.70500053      7.58035463    -20.32612609
  O     14.01753415      6.51527595    -17.02888406
  H     17.44228227      4.12374406    -14.17877333
  H     15.38933921      8.22062852    -19.09268492
  O     16.70520607      4.32637848    -12.49587592
  H     18.56718245      4.48831503    -15.21896127
  H     13.68721226      6.58304169    -13.21685381
  O     15.62052453      6.13204138     -9.53475238
  H     12.83409054      5.09297574    -10.73266471
  H     13.27627243      7.43026092    -11.99014626
  O     15.06434389      7.38074873    -19.46630611
  H     13.23210359      4.34383869    -12.01532519
  H     17.65551140      9.82658705    -15.40249496
  O     13.52623326      7.49184741    -12.91974979
  H     15.30363551      3.55020186    -17.06149991
  H     16.85377769      9.63538097    -14.09842245
  O     17.12689033     10.29978188    -14.74573592
  H     16.76647227      3.61880969    -16.61109680
  H     16.81908043      9.31044745    -17.81646228
  O     16.00252797      9.58809265    -18.25427699
  H     21.05001132      4.87889771    -15.71383071
  H     15.49980094     10.07378856    -17.59026707
          69
 Ord_Energy   -248.270493    
 O    2.87324333       11.5505476      -10.3134365    
 H    2.08372545       11.7202711      -9.77602959    
 H    3.20855141       12.4164524      -10.5795841    
 O    2.68459225       7.16085005      -9.66443539    
 H    2.15738249       6.69167089      -9.00561619    
 H    3.14907551       7.89193058      -9.23616314    
 O  -0.651471138       8.12898445      -7.29999208    
 H    4.79848012E-02   8.79050922      -7.18837404    
 H  -0.207859620       7.29833841      -7.49652338    
 O    1.70627224       8.42515087      -13.5198174    
 H    1.00674939       8.02906132      -14.0512781    
 H    2.25282669       7.69881248      -13.1829920    
 O   -1.15370023       10.4780655      -10.0435066    
 H   -1.85170591       10.0780268      -9.51252651    
 H  -0.548169792       9.76307297      -10.2961855    
 O    1.76685810       11.0805769      -12.8895111    
 H    2.15786004       11.1171513      -12.0067053    
 H    1.87266922       10.1789465      -13.2223549    
 O   0.685709119       5.75808239      -8.22629261    
 H   0.143385634       5.74011993      -9.03379345    
 H   0.599740088       4.90178061      -7.81499529    
 O   -1.99137390       8.81636524      -13.3024349    
 H   -2.42129612       8.47512913      -12.5042772    
 H   -1.76327646       9.73730564      -13.1398754    
 O  -0.675697982       6.04123878      -10.5974264    
 H  -0.409243315       5.55546141      -11.3877010    
 H  -0.346184760       6.94622755      -10.7154007    
 O    3.38924336       14.1695576      -11.2151890    
 H    4.09036493       14.8100739      -11.2964430    
 H    2.96808314       14.1004076      -12.0910435    
 O  -0.712314248       14.1924276      -12.6548576    
 H  -0.921535373       13.2435694      -12.6628475    
 H   -1.47716951       14.6436853      -13.0028229    
 O   -2.91133714       8.97944069      -8.48461056    
 H   -3.56308460       9.18548012      -7.82075119    
 H   -2.12683392       8.64026928      -8.01409340    
 O   0.278537065       4.98783875      -13.0139370    
 H   -2.11691707E-02   5.67560959      -13.6306744    
 H   0.183554977       4.15351486      -13.4673347    
 O    3.81879282       9.52521610      -8.70238113    
 H    4.68331814       9.75360394      -8.36943531    
 H    3.56471872       10.2289696      -9.32304287    
 O    2.84490418       6.23175430      -12.3386230    
 H    2.06842995       5.67470407      -12.4660435    
 H    2.88012481       6.44875479      -11.3966570    
 O  -0.992959678       11.4489050      -12.5949907    
 H   -1.16101182       11.1909761      -11.6755552    
 H   -4.91170511E-02   11.2990208      -12.7533436    
 O  -0.514161825       7.07821751      -14.6719980    
 H   -1.09912348       7.69542170      -14.1918526    
 H  -0.772949815       7.11191273      -15.5887489    
 O   -3.00860620       7.62449741      -10.9981775    
 H   -3.10752726       8.07349682      -10.1497307    
 H   -2.37852001       6.91224813      -10.8348026    
 O   0.639634430       12.1418428      -8.79357243    
 H   0.575773776       13.0405273      -9.14687634    
 H   -6.86519071E-02   11.6190481      -9.19702148    
 O   0.582185447       8.51210403      -10.9009542    
 H   0.854790807       8.56517124      -11.8251591    
 H    1.33306849       8.14571285      -10.4149408    
 O   0.700477540       14.5253477      -10.1607456    
 H   0.172901794       14.4885759      -10.9681511    
 H    1.62109089       14.5466375      -10.4480639    
 O    1.99600840       13.7887316      -13.5107403    
 H    1.97859299       12.8207884      -13.4782486    
 H    1.08438432       14.0652113      -13.3557529    
 O    1.38822484       9.98914051      -7.16565800    
 H    2.25128174       9.78935242      -7.54170609    
 H    1.11703646       10.8238974      -7.57277298    
          69
 Energy    -248.27042076285045     
  O     18.15740662      9.35080694    -13.32273008
  H     17.40827438      8.77658404    -13.53547240
  H     13.36629656      5.13559901    -12.44992572
  O     15.76994115      3.33123378    -13.24898503
  H     17.80374080      9.99157476    -12.69411129
  H     12.68570516      9.11261294    -13.75355158
  O     13.13506768      7.80995736    -14.94538594
  H     16.57051547      3.87093495    -13.38372539
  H     13.40749637     10.43527668    -13.50967700
  O     10.73150912      8.98705354    -11.34503007
  H     16.05669220      2.42333350    -13.20302440
  H     15.77433724      7.49378053    -13.15245714
  O     14.12806771      4.35898290    -15.38423605
  H     14.04925848      7.71580397    -14.64174825
  H     16.30982166      7.38043551    -14.63545911
  O     18.52149795      9.34244501    -16.09514031
  H     13.19227658      8.01604620    -15.88693692
  H     18.68074236      7.72618966    -12.19827974
  O     17.91085278      4.89795924    -13.65993865
  H     11.30895136      9.42163564    -11.98651506
  H     17.58958618      6.91564053    -11.48251652
  O     12.46801761      8.50238307     -9.07860807
  H     11.22586015      8.95694153    -10.51716317
  H     13.43237448      8.72443246    -18.38858195
  O     17.50172571      6.67327361    -15.78120033
  H     13.33175873      4.61459807    -14.90498103
  H     14.55423743      9.04604686    -17.37326298
  O     10.11561358      6.39637908    -11.91498217
  H     14.70244168      3.94138778    -14.73121338
  H     15.57935102     10.55710718    -16.00317775
  O     12.15803195      5.96001424     -9.94251580
  H     19.37737288      9.62433790    -16.40988353
  H     16.76252835      9.87980888    -16.71042051
  O     14.02419658      4.92495007    -11.77083981
  H     18.53196146      9.44871503    -15.13036350
  H     11.35407178      5.78575738    -13.17897760
  O     12.72567057      9.86054390    -13.13969157
  H     17.88114132      5.41889209    -14.47277583
  H     12.38665102      6.36201550    -14.18542634
  O     15.77903326      7.91278506    -14.02531413
  H     18.23927300      5.49341389    -12.97299478
  H     14.77298284      6.73360426    -17.45591797
  O     18.51130780      6.87793427    -11.77661234
  H     12.39646839      7.56126116     -9.32291831
  H     14.87589011      5.39346507    -16.67160574
  O     13.82514937      8.43177533    -17.57058936
  H     12.27322760      8.56074423     -8.14739069
  H     15.68947029     11.04378794    -13.39971556
  O     15.83691425     10.12336667    -16.82714690
  H     17.93257808      7.47436010    -16.09399087
  H     15.34683521      9.75760971    -14.16980256
  O     12.12848759      5.55970043    -13.70808783
  H     16.82186679      6.40896188    -16.42414830
  H     15.23203582      7.82890394    -11.11966051
  O     15.36126867      5.99939710    -17.25316806
  H      9.17363324      6.25203884    -11.88193939
  H     15.12497153      6.30016283    -11.45285406
  O     15.18422744     10.71367726    -14.15132992
  H     10.26079717      7.34643780    -11.75965929
  H     15.80986611     10.47096063    -11.27157573
  O     15.72556753      7.05853362    -11.42629968
  H     12.85212038      5.48749447    -10.42028963
  H     16.70259590     11.70564037    -11.02483451
  O     16.53018080     11.00353195    -11.64752461
  H     11.39677276      5.97589547    -10.53590867
  H     13.78504983      9.55370576    -11.65009203
  O     14.35523151      9.44510183    -10.87582541
  H     14.62855241      4.28355555    -12.16680882
  H     13.77568473      9.19875466    -10.14264212
          69
 Energy    -248.27035187134430     
  O     12.75670761     11.67824348    -15.11944271
  H     13.62960715     12.02559374    -15.33190449
  H     18.59643799      6.72462212    -13.55032396
  O     14.35321437      6.21352982    -13.06682612
  H     12.73864464     10.78365420    -15.48914950
  H     15.87872924     10.94752325    -16.89682335
  O     17.69789148      9.81662255    -11.66682834
  H     15.07466153      5.80216882    -12.57716046
  H     16.73819249      9.66761529    -16.99312522
  O     17.62117815      8.47643383    -15.89313894
  H     14.72525332      6.95178287    -13.57541472
  H     15.93520890      8.37642350    -15.08028691
  O     10.86984779      7.48983025    -14.97275333
  H     17.44641080     10.20012331    -10.81583537
  H     14.38253296      8.60433603    -15.08541831
  O     16.23676728     10.54562606     -9.41739458
  H     17.07098581     10.19244786    -12.30309777
  H     12.05665249     11.67478449    -13.53859021
  O     13.57200052      8.02909793    -11.11708686
  H     17.67338185      7.54719730    -16.15687272
  H     11.01334791     12.27377050    -12.56438447
  O     15.68011124     10.77222076    -13.26912057
  H     18.21178224      8.58883875    -15.13842149
  H     16.71901213      8.33603334    -10.81513207
  O     14.96351985      6.04911590    -17.14321182
  H      9.93397962      7.36766696    -15.10686341
  H     16.37208532      6.85607168    -10.56075683
  O     17.49607246      5.72913851    -16.35696006
  H     10.97434472      7.90563356    -14.09800767
  H     11.92406679      8.46786375    -11.98132710
  O     12.92184100      5.51299095    -15.35306010
  H     15.42370276     10.80366082     -9.87232828
  H     11.30679334      9.72905321    -12.61437320
  O     18.17954358      5.85591773    -13.59677483
  H     16.14072775      9.60119476     -9.24834481
  H     20.12690159      8.75196357    -13.44081657
  O     16.08386238     10.19838329    -17.46831126
  H     13.67116840      7.37874564    -11.82716912
  H     18.73373943      8.98110958    -12.81572036
  O     15.14761946      8.41479381    -14.52391758
  H     14.40217828      7.95554959    -10.62694519
  H     17.18313312      5.42569810    -12.26689398
  O     11.68316047     11.59991999    -12.64173263
  H     15.06654528     10.90059711    -12.53287726
  H     16.70929312      4.37793553    -11.22833709
  O     16.21241306      7.75172229    -10.23666434
  H     15.44957996      9.92456181    -13.68046737
  H     14.89669074      9.14002293    -18.16430046
  O     11.25280648      8.76571595    -12.60698149
  H     14.69374893      6.81981778    -17.65330511
  H     14.05887494      8.65185797    -19.37186353
  O     19.20481873      8.52459756    -13.53329842
  H     14.22006709      5.81564325    -16.56755159
  H     13.13283645     11.20380758    -11.53222816
  O     16.55099056      5.26373821    -11.54317458
  H     16.56107021      5.78654269    -16.62956322
  H     13.76031499      9.85151122    -11.12213145
  O     14.21229219      8.50400506    -18.44287292
  H     17.92066850      5.13016437    -16.96485114
  H     15.65302384     11.80238310    -14.70783011
  O     13.92012258     10.80713265    -11.13820466
  H     13.38426755      5.59809832    -14.50716673
  H     15.99532827     13.09896889    -15.47739446
  O     15.53081355     12.26904017    -15.55266226
  H     12.13871235      6.06721912    -15.26497294
  H     12.16689763      8.49163578    -15.79943120
  O     12.90047974      9.06682729    -16.05231931
  H     17.92254455      5.72406352    -14.51783347
  H     13.18748150      8.83614410    -16.94486991
          69
 Ord_Energy   -248.270309    
 O   -1.79233575      -1.69867206       3.66195989    
 H   -1.52529788      -1.22482252       2.86563015    
 H   -2.08952451      -2.57553983       3.38945603    
 O   -9.78415680       1.23941767     -0.955477774    
 H   -9.37154865       1.94221592     -0.431369156    
 H   -10.3639870      0.771906614     -0.345347136    
 O   -4.95175457      -1.48497427       1.30677128    
 H   -4.97288942      -1.20321667       2.22873330    
 H   -5.52044058      -2.26437616       1.25641227    
 O   -11.0664949     -0.220299259       1.24027920    
 H   -10.7813826      0.422936738       1.90878534    
 H   -11.9971132     -0.372940898       1.38577855    
 O   -5.38859510      -3.77569818       3.85490227    
 H   -4.48728514      -4.00998068       3.60110641    
 H   -5.92573547      -3.88240790       3.05729413    
 O   -8.65185165      -1.69375765      0.891116202    
 H   -9.55176926      -1.36764848       1.00820386    
 H   -8.34075451      -1.34203982       4.30991389E-02
 O   -2.72588539      -4.29326296       2.93944383    
 H   -2.87844515      -4.39513350       1.98415053    
 H   -2.24313951      -5.06690264       3.22072029    
 O   -8.62581348       3.00233221      0.890944123    
 H   -7.69354916       2.88114452       1.10701108    
 H   -9.11301804       2.69165349       1.66232884    
 O   -5.70349836      -4.72146082      -1.00460780    
 H   -5.96645308      -5.47096443      -1.53207636    
 H   -5.81701565      -3.93124199      -1.56355309    
 O   -3.33498621       1.47595394       2.57988667    
 H   -4.21860218       1.77057147       2.32898498    
 H   -3.38436151       1.16818976       3.49287939    
 O   -5.98825645       2.04922080       1.65040529    
 H   -5.76355600       1.68019223      0.782882929    
 H   -6.54950857       1.39144778       2.08446765    
 O   -9.92079353       1.54372287       3.07657146    
 H   -9.08642197       1.04085219       3.10592008    
 H   -10.0588970       1.90262401       3.94904423    
 O   -6.00579691      -2.46719837      -2.44223022    
 H   -6.72861528      -1.86484921      -2.21862936    
 H   -5.23107672      -1.91219735      -2.58804059    
 O   -7.65692282       8.45895782E-02   2.84436417    
 H   -7.91759634     -0.557333469       2.17082357    
 H   -6.96740055     -0.324245542       3.38776112    
 O   -7.77374697     -0.533042371      -1.46171534    
 H   -6.97748566      -5.80471605E-02  -1.18544126    
 H   -8.50121498      0.106835909      -1.44686246    
 O   -1.29987621       8.60323086E-02   1.45124531    
 H  -0.532026231      0.650563121       1.42881560    
 H   -2.03629303      0.629532337       1.78732491    
 O   -2.64125514      -1.71738601     -0.160211667    
 H   -2.03281975      -1.11475253      0.285966992    
 H   -3.44871426      -1.70985734      0.379502624    
 O   -3.70684123     -0.744454265      -2.48476458    
 H   -3.22577596      -1.12547350      -1.73014152    
 H   -3.05942154     -0.535167336      -3.15262532    
 O   -5.36566210      0.523732424     -0.563865900    
 H   -4.77497959      0.301042825      -1.29200602    
 H   -5.24077034     -0.164393306      0.109549858    
 O   -3.22522831       8.32106769E-02   5.09233379    
 H   -2.83694696      0.260096014       5.94418383    
 H   -2.66651249     -0.588327825       4.65838957    
 O   -3.13817620      -4.44543886      0.255887210    
 H   -3.97826004      -4.60144663     -0.191421077    
 H   -2.83015656      -3.57649636      -3.46383788E-02
 O   -5.53669786      -1.06428552       4.05834770    
 H   -5.49263573      -2.03063774       4.13074589    
 H   -4.79536819     -0.683630645       4.54199219    
 O   -6.72539377      -3.64488316       1.37305427    
 H   -7.50595474      -3.09875774       1.20420074    
 H   -6.49318600      -4.10829926      0.558255315    
          69
 Ord_Energy   -248.270203    
 O   -4.27009821       2.28505850      -8.27345103E-02
 H   -3.96413803       2.96994758     -0.695481837    
 H   -4.70673990       2.74893165      0.640160084    
 O  -0.636974335       6.88640976     -0.729733169    
 H  -0.513969004       5.92845392     -0.778117657    
 H    2.43735989E-03   7.20662069      -8.35537836E-02
 O   -2.59350467      0.381608844      0.799857616    
 H   -2.77017832     -0.433131248      0.336905748    
 H   -3.16782188       1.06043994      0.398872048    
 O    1.08794832       7.63172483       1.41684389    
 H   0.294333369       7.78120184       1.96540868    
 H    1.61195540       8.42653179       1.46558416    
 O   -4.63013029       2.26314664       5.76002693    
 H   -3.84561801       2.74104476       6.06125832    
 H   -4.34665871       1.74169385       4.99822855    
 O   -3.40735006       6.06574535       2.06978011    
 H   -2.62124753       5.49307823       2.08595991    
 H   -3.49492717       6.42371082       1.17631960    
 O   -5.67205101E-02   1.24517357       1.76370656    
 H  -0.871456265      0.930185080       1.34990215    
 H  -0.301989108       1.50381005       2.65858126    
 O   -4.99634790       3.68575406       2.30237842    
 H   -5.56536007       3.86914897       3.06035042    
 H   -4.50208807       4.49782276       2.13653803    
 O   -3.95335126       5.94823265       4.82539034    
 H   -4.81380749       5.51729059       4.89724016    
 H   -3.79731512       6.08424950       3.88054705    
 O   -1.16903055       7.88508368       2.84558988    
 H   -1.96825016       7.47360325       2.50788355    
 H   -1.23496723       7.82946205       3.81085658    
 O   -3.20812154       4.32535315      -1.58992171    
 H   -3.37367463       5.23935986      -1.33543730    
 H   -2.27116251       4.17109442      -1.40636277    
 O   -3.32593608       7.03569555     -0.525365949    
 H   -3.68974876       7.77575493      -1.00374722    
 H   -2.35790229       7.07660627     -0.633369386    
 O   -1.27594173       2.38032484       4.12646389    
 H   -2.06519794       1.90639853       3.82471228    
 H   -1.58499455       2.93981910       4.85489416    
 O  -0.606255352       4.08186960     -0.542314589    
 H   0.242166266       3.63540268     -0.450659156    
 H  -0.976187170       4.10249138      0.352681100    
 O   -3.65712237       1.37497663       3.22111130    
 H   -3.37765598      0.868275225       2.44883680    
 H   -4.10824347       2.16265130       2.88279772    
 O   -1.62247121       7.47816181       5.52757406    
 H   -2.49725771       7.07531643       5.46113825    
 H   -1.07391548       6.85319996       6.01658773    
 O   -6.22480059       4.23838997       4.79641533    
 H   -7.10800409       4.23656273       5.15471601    
 H   -5.74681091       3.49894428       5.21369267    
 O  -0.117905080       5.41865778       6.85438395    
 H   0.442153454       5.47926188       7.62346268    
 H   0.390854955       4.94770145       6.17062712    
 O   -1.27892268       4.41117239       2.16604733    
 H   -1.36076653       3.67720604       2.78521085    
 H  -0.382302940       4.75640202       2.27576923    
 O    1.06376362       3.96643424       4.88432121    
 H   0.459072411       3.25632548       4.64528799    
 H    1.32298148       4.38179207       4.04989624    
 O    1.72267127       2.86347556      0.491765797    
 H    1.12778020       2.23694444      0.943262279    
 H    2.46882844       2.35855699      0.180379927    
 O    1.44151688       5.01572037       2.32807016    
 H    1.47068083       5.90727472       1.95698345    
 H    1.67271543       4.37765074       1.64059925    
 O   -2.39231992       3.98421168       6.06749582    
 H   -2.90922856       4.66971684       5.61975384    
 H   -1.66450763       4.43589687       6.51184368    
          69
 Ord_Energy   -248.270035    
 O    5.74628830      0.697572529       8.56565952    
 H    5.67347383       1.44406712       7.95223188    
 H    6.49999189      0.877555549       9.14218044    
 O    5.20227909      -3.33900619       3.02767158    
 H    4.52943087      -2.69642305       2.74199271    
 H    5.05617332      -4.13365650       2.52096653    
 O    4.08826685      0.170072317       4.73809624    
 H    3.51952767      0.579474211       5.39797783    
 H    4.74695110      0.835829556       4.50322485    
 O    2.21208334      -1.68700886       6.69184637    
 H    3.01853848      -2.11808825       6.38299751    
 H    2.46415424      -1.21457279       7.49336672    
 O   0.508167982     -0.516609132       4.79812670    
 H   0.537119389      0.427974910       4.98852634    
 H    1.05434859     -0.960697055       5.46224546    
 O    5.89983892       2.20503950       4.20159674    
 H    6.65546560       1.60205579       4.15114355    
 H    5.57960749       2.41354132       3.31525397    
 O    3.45566797      -1.30663645       2.45042181    
 H    3.61137366     -0.746741235       3.22578025    
 H    2.52599907      -1.19518876       2.21939874    
 O    8.07286835       3.23333597       7.75428820    
 H    8.16811466       2.71347570       8.56096554    
 H    8.66416073       2.82410312       7.10948467    
 O    9.39132309     -0.236713171       7.97015190    
 H    9.67483234      0.393190324       7.29531479    
 H    8.67136574     -0.741926908       7.56792402    
 O    6.97773027      -1.10370576       6.79140520    
 H    6.30705738      -1.71085274       6.45234585    
 H    6.52221918     -0.517350972       7.41031599    
 O    9.72065639       1.73619819       5.92216492    
 H    10.4700947       1.99435818       5.39158773    
 H    9.11621189       1.25241613       5.33351183    
 O    4.79646778      -2.35202837       5.63805103    
 H    4.96743965      -2.85863709       4.83472252    
 H    4.58789396      -1.44962800       5.34543276    
 O    8.15922546       1.25331497       9.86644745    
 H    8.67444706      0.681120515       9.26871872    
 H    8.58857822       1.22386146       10.7165804    
 O   0.872980893       2.33387423       5.04026556    
 H    1.58787072       2.27039146       5.69657135    
 H   0.266973317       2.99888873       5.35686588    
 O   0.797831535     -0.608550012       2.12589979    
 H   0.639380813     -0.647344172       3.08811831    
 H   -7.64052011E-03 -0.887631416       1.70081449    
 O    5.51497126       2.87055588       6.83376312    
 H    5.64585543       2.72330499       5.88510227    
 H    6.36816645       3.17225432       7.17915201    
 O    7.86670876      0.289939076       4.53099823    
 H    7.75345802     -0.289585620       3.76202083    
 H    7.54436827     -0.196730703       5.30249548    
 O    5.40104961       7.55996183E-02  0.926986456    
 H    5.18822432       1.00017297       1.09614527    
 H    4.66936779     -0.424869806       1.31269646    
 O    4.57098007       2.67891932       1.78636634    
 H    4.52903366       3.44618034       1.22154725    
 H    3.65178490       2.44782043       2.01082110    
 O    2.01696515       1.99538851       2.44147134    
 H    1.64341688       2.20466781       3.30642486    
 H    1.60866308       1.16094792       2.18340826    
 O    3.11570024       3.56128998E-03   8.84374237    
 H    4.07481146      0.163566664       8.83483028    
 H    2.85102558      -3.54143903E-02   9.75932884    
 O    7.23989201      -1.32485259       2.45819664    
 H    6.71128130      -2.10285568       2.66331673    
 H    6.71211433     -0.809758961       1.82919800    
 O    2.91115451       1.89104402       6.76394844    
 H    3.75006962       2.36874700       6.82896233    
 H    2.85413671       1.29999065       7.52477121    
          69
 Energy    -248.26988765765026     
  O     16.26251306      3.60206873    -15.39155030
  H     16.04107478      4.52117212    -15.58847367
  H     16.98959952     10.38421721    -14.66083215
  O     18.28261360      9.34613584     -9.42014850
  H     15.48562112      3.23234614    -14.95381216
  H     15.01997660      9.06347930    -17.64062553
  O     13.45365690     11.86605653    -11.08515326
  H     18.74705219      8.92369765    -10.16328581
  H     15.79739589      9.24078447    -16.31430908
  O     17.60296149      7.45856874    -13.92638033
  H     18.93159325      9.48217395     -8.73405428
  H     14.72127902      8.30089301    -12.37829221
  O     18.36325129      3.03858301    -13.75091351
  H     14.29918081     11.75339961    -10.63567018
  H     15.86278112      8.17649652    -11.33461357
  O     12.06355441      9.46168538    -10.48738753
  H     12.91197385     11.10352353    -10.84332110
  H     14.82211797      2.53874120    -13.00503296
  O     16.16070789      7.48046586     -9.63296575
  H     18.00868072      6.71126608    -13.46753830
  H     13.53895660      1.97564580    -13.66452421
  O     12.92812304      7.93275845    -12.57046913
  H     16.91088059      7.80072022    -13.33624283
  H     15.31821528      5.39222123    -11.82027812
  O     14.34350639      9.29916393     -8.80829605
  H     18.96742568      2.43758609    -14.17842424
  H     15.99235271      5.90414936    -10.50708174
  O     15.57582247      6.34624301    -15.46547168
  H     17.66452897      3.24198084    -14.39829142
  H     13.55825844     12.98827037    -14.05346654
  O     18.52004095      5.42218261    -12.27739001
  H     12.32080364      8.87202379    -11.21682446
  H     13.58928676     12.08419602    -12.79762009
  O     17.19124395      9.80684691    -15.40854763
  H     11.14032482      9.29867578    -10.31284263
  H     16.88668852     10.63520675     -9.83891359
  O     15.01197885      8.82860287    -16.71640788
  H     16.96120914      7.98299106     -9.44147314
  H     16.27853498     11.22877884    -11.11487199
  O     15.66618555      8.44237342    -12.24144777
  H     15.43096543      7.98117807     -9.23521518
  H     16.02925643     10.13178590    -12.75004206
  O     14.13467383      2.71948406    -13.67152976
  H     12.88935704      8.45255538    -13.39096230
  H     15.49252725     11.47125260    -13.32263603
  O     15.98722195      5.18568977    -11.15441034
  H     13.14882911      7.01884147    -12.79219836
  H     14.54406786      5.81549443    -14.03998299
  O     13.79071830     12.11454342    -13.75083428
  H     13.49920098      9.32547630     -9.27479467
  H     13.92589731      4.55741281    -13.38142964
  O     16.12196348     11.12503205    -10.16618280
  H     14.88870817      9.99497359     -9.19915583
  H     16.13093489      3.34680635    -11.46132011
  O     16.29201383     11.03080434    -13.00502574
  H     16.35511805      6.67452945    -14.99423111
  H     17.00645022      2.53522970    -12.43414616
  O     14.07061406      5.50333447    -13.25539452
  H     15.26493074      7.08425423    -16.00207245
  H     13.28769321     10.44624552    -14.47974450
  O     16.19395779      2.49431182    -11.91544599
  H     18.64159568      4.60340747    -12.77330774
  H     13.69211021      9.31799906    -15.46125485
  O     13.09475630      9.53555879    -14.73585299
  H     17.66440662      5.33972692    -11.83004163
  H     19.25666926      7.05446357    -11.60147320
  O     19.37036452      8.01317027    -11.53726690
  H     17.53901985      8.99461552    -15.01657114
  H     19.09325477      8.33826842    -12.39701275
          69
 Ord_Energy   -248.269867    
 O    4.64430475       3.83001614       9.47058773    
 H    4.06470966       4.27195454       8.83947945    
 H    4.09607553       3.49548602       10.1962852    
 O    8.48210049       1.69299507       10.4528608    
 H    8.15364552       2.54584074       10.1295071    
 H    7.71633196       1.20069504       10.7727852    
 O    3.62452078     -0.746693730       7.97914743    
 H    4.20969486      -1.44542813       7.66361570    
 H    4.18155479       3.49249914E-02   8.12795258    
 O    7.54381418       1.31191170       6.74099398    
 H    7.68246269       2.25844145       6.60757685    
 H    8.27809334      0.967348695       7.26507854    
 O    3.67150998      -7.14099035E-02   12.1575508    
 H    3.04776025     -0.427865535       11.5033321    
 H    3.46682739     -0.490832090       12.9897499    
 O    3.96100163       1.43013477       4.42298651    
 H    4.65126324      0.789389074       4.67541265    
 H    3.95878172       1.46567011       3.46972585    
 O    2.95372844       4.83057308       7.44315529    
 H    2.46823668       5.64895916       7.38837624    
 H    2.29615092       4.11361933       7.50014782    
 O    5.89673901     -0.277770400       5.19373608    
 H    6.55427933      0.264258891       5.65444756    
 H    5.79879618      -1.07685864       5.72273445    
 O    6.14645672       9.74571779E-02   10.7710752    
 H    5.37534189      -2.64560990E-03   11.3387184    
 H    5.84185648      0.564819217       9.97789574    
 O    1.24012029       2.76895595       7.63088560    
 H    1.47707748       2.00450158       7.09048796    
 H   0.994935513       2.42053103       8.49632072    
 O   0.670317531       1.62410855       10.1580925    
 H  -0.216514125       1.46705019       10.4741135    
 H    1.10837555      0.758265853       10.1351261    
 O    9.46990395      0.222996876       8.44745731    
 H    10.4183073      0.147491544       8.49211788    
 H    9.19289398      0.770143270       9.20724583    
 O    7.43616438       4.01056767       9.34397125    
 H    6.48291111       4.06168747       9.49933720    
 H    7.54520082       4.12261581       8.39316559    
 O    1.95527744     -0.842085958       10.1402407    
 H    2.56262946     -0.860427439       9.38489342    
 H    1.16141725      -1.33163631       9.88125610    
 O  -0.524807274     -0.528817415       6.78103256    
 H   0.336227655     -0.205772415       6.47196102    
 H   -1.16627598       9.63254124E-02   6.45117378    
 O    7.37641573      -1.66381860       8.95721817    
 H    8.16588116      -1.15270174       8.74390316    
 H    6.95352507      -1.19315004       9.68848705    
 O  -0.345343590      -1.93142641       9.14681339    
 H  -0.444627136      -1.46031475       8.30252457    
 H  -0.781527102      -2.77170396       9.03162193    
 O    4.94195080       3.82826996       5.68978643    
 H    4.24266624       4.19993305       6.24152470    
 H    4.58262444       3.03157163       5.28316879    
 O    5.28599930       1.33562171       8.43796253    
 H    6.06122017       1.37108183       7.86389542    
 H    5.07047081       2.23385429       8.72016621    
 O    7.52401257       4.07847834       6.45213795    
 H    6.59427786       4.03672647       6.16211557    
 H    7.95113802       4.73731995       5.91190290    
 O    5.62895155      -2.45295978       7.05572891    
 H    5.73794889      -3.38660312       6.89884615    
 H    6.28568363      -2.20380735       7.73185062    
 O    1.97153604      0.484963477       6.15148020    
 H    2.52732277      -4.88955993E-03   6.77559137    
 H    2.56579971      0.826272130       5.47210550    
 O    3.05074501       2.64264917       11.3681717    
 H    3.35732293       1.81357086       11.7531576    
 H    2.17555428       2.44827652       11.0114222    
          69
 Ord_Energy   -248.269836    
 O   -3.61181712       1.64317298      -3.73116803    
 H   -2.71373677       1.86230743      -3.44089174    
 H   -3.58593535       1.61068594      -4.69610739    
 O   0.874050438     -0.684626222      -1.81593561    
 H    1.16021729      -2.43695900E-02  -1.17462063    
 H   -1.26559997E-03 -0.969154298      -1.52059531    
 O   0.806957483       3.64546585      -1.48178947    
 H    5.41898087E-02   4.15408707      -1.15370083    
 H    1.10573328       4.02944040      -2.32043958    
 O   -1.48323977       1.69735467       3.79319303E-02
 H  -0.543592334       1.55749226      0.210519224    
 H   -1.56781745       2.59065557     -0.320050359    
 O   -5.37657928       1.64963806      -1.61664796    
 H   -4.78674316       1.71323693      -2.38362455    
 H   -5.72930622      0.752006471      -1.62143433    
 O    1.35158324       4.50460052      -4.01882029    
 H   0.465051651       4.79262543      -4.27468252    
 H    1.56413031       3.77833509      -4.61869526    
 O   -3.28564978       5.66429234      -2.72180200    
 H   -4.06012678       5.22270441      -2.33196282    
 H   -3.49124646       6.59616756      -2.74459672    
 O   -4.18621254      -1.19151652      0.590393364    
 H   -3.31375313      -1.27272952      0.181137025    
 H   -4.22178602     -0.296951443      0.949370444    
 O   -5.89281607      -1.15497124      -1.52716935    
 H   -6.63977909      -1.73816049      -1.42458093    
 H   -5.34483767      -1.25463033     -0.727799475    
 O   -3.91031671       4.39100361       1.22449923    
 H   -4.03017044       3.42615962       1.24664724    
 H   -4.13446331       4.71593666       2.09265113    
 O   -1.75895882     -0.967828333      -5.36359549    
 H   -2.22757292     -0.277299434      -5.84886789    
 H   -2.36241841      -1.25046253      -4.66498184    
 O   -1.41755700       4.60663891      -4.55166149    
 H   -1.26849890       3.74312615      -4.13533068    
 H   -2.12157464       5.02471256      -4.04389811    
 O    1.32877231       1.47096992       5.12187108E-02
 H    1.28898549       2.27509022     -0.496376514    
 H    2.04663968       1.58994484      0.667530417    
 O   -1.82602453     -0.938266814     -0.987442911    
 H   -1.75534070       3.81474989E-03 -0.781609356    
 H   -2.36595726      -1.02161670      -1.78593802    
 O  -0.994005263       2.20167923      -3.18760157    
 H  -0.391829461       2.59262872      -2.54552674    
 H  -0.508351207       1.48738360      -3.62231874    
 O   -3.12098551       1.30916071      -6.47871447    
 H   -3.65064478       1.31985152      -7.27141094    
 H   -2.35982871       1.89417589      -6.64307261    
 O   -1.01243818       2.97957778      -6.76879597    
 H   -1.21094286       3.70273614      -6.15731335    
 H  -0.102344230       2.72305799      -6.57902288    
 O   0.513741732      0.200084507      -4.37915468    
 H  -0.211009964     -0.310336351      -4.77041292    
 H   0.741051793     -0.191593111      -3.52277708    
 O   -5.27294302       4.45910215      -1.32244468    
 H   -4.94624376       4.53481054     -0.417770326    
 H   -5.47872639       3.52428508      -1.45313883    
 O   -1.75052190       4.46909285     -0.640198946    
 H   -2.37351346       4.55336714       9.26927701E-02
 H   -2.18654990       4.87556458      -1.39999139    
 O   -4.09202814       1.67565393      0.883989513    
 H   -3.14501143       1.59940875      0.687661409    
 H   -4.55249691       1.66271031       3.11653707E-02
 O   -3.57142496      -1.09108436      -3.17766094    
 H   -3.59572053     -0.150018543      -3.40629864    
 H   -4.40745306      -1.27484941      -2.73385096    
 O    1.60069752       2.25185680      -5.80509949    
 H    2.35662079       1.97057056      -6.31455231    
 H    1.29291391       1.47193420      -5.31142426    
          69
 Energy    -248.26982249452857     
  O     -2.12190277     -1.97253085     -1.64612855
  H     -2.39085648     -1.06114033     -1.81953815
  H     -2.49157232     -1.57026528     -5.59061735
  O      0.07610988      1.83258801     -2.89847232
  H     -1.22147666     -2.04438851     -2.00444745
  H      1.20562631     -3.18586572     -1.72071700
  O      1.30502989     -1.82460446      0.97919047
  H     -0.00257390      1.92553071     -3.85502472
  H      1.17337487     -4.48322083     -0.88034248
  O     -2.40861390      0.01788251     -4.91999199
  H      0.81715729      1.22546115     -2.75173896
  H     -0.61111723     -2.67268515     -5.77201655
  O     -0.16014392     -5.78966487     -0.62496722
  H      1.57741376     -2.48369057      0.32930027
  H      0.71059007     -3.49306570     -5.53903520
  O     -1.35716398     -1.10044056      0.97029445
  H      1.79654400     -1.01821939      0.78375119
  H      0.91002697     -1.27742307     -2.62928421
  O      3.94903462     -1.08214613     -4.10208895
  H     -2.58386104      0.28516083     -4.01029044
  H      0.32964791     -2.22350055     -3.72857807
  O      2.50252990      0.69950864      0.30318714
  H     -1.67689805      0.56783037     -5.22786088
  H     -2.52780828      1.06626671     -1.24013697
  O      1.79641750     -0.29891450     -5.87509657
  H     -1.04871425     -5.39978417     -0.56176563
  H     -1.52989352      1.09960410     -2.40766998
  O      2.09679782      0.03885116     -2.36155917
  H     -0.12822051     -6.49875743      0.01211862
  H      1.74782216     -5.84470715     -5.70324612
  O     -0.13852734      1.58184188     -5.68400920
  H     -1.63909676     -1.48211875      0.13179302
  H      0.83868710     -5.36898993     -4.54220277
  O     -2.45693231     -2.47133057     -5.96213131
  H     -0.43297239     -1.36847231      1.08041168
  H     -2.58889713     -3.26754231     -2.96859821
  O      1.73440480     -3.73624328     -1.12203675
  H      3.76126804     -2.01446625     -3.88949389
  H     -2.73132059     -3.57130114     -4.46583210
  O      0.32196923     -2.60869828     -5.53405936
  H      4.88730183     -1.02116293     -4.25863981
  H     -1.23468967     -5.13385233     -3.54679809
  O      0.32536020     -2.03233701     -2.78287771
  H      1.74181461      1.30514343      0.23617490
  H     -0.29980922     -5.82762889     -2.52686118
  O     -2.39623925      0.75423177     -2.14386657
  H      3.15480584      1.13613487      0.84406675
  H     -2.95625428     -4.83836823     -1.66578536
  O      1.53854629     -5.08901805     -5.16159107
  H      2.59293090     -0.47652831     -5.36425384
  H     -2.54674627     -3.68622308     -0.76797866
  O     -2.69837243     -3.99269673     -3.59862861
  H      1.29226796     -1.12605276     -5.86283466
  H     -1.91294410      0.52331752      0.84109242
  O     -0.44622311     -5.68793984     -3.46922042
  H      2.84630856     -0.26208066     -2.89032974
  H     -2.81921714      1.68688289      1.31250685
  O     -2.64795370     -4.64674852     -0.77295909
  H      2.39065703      0.20777773     -1.45707942
  H      2.80667430     -4.17321645     -4.05482777
  O     -2.22552297      1.41977243      0.61659389
  H     -0.06614199      2.19225779     -6.41262834
  H      2.93924907     -3.75504421     -2.57660797
  O      3.33609226     -3.63977765     -3.45039105
  H      0.59061287      0.94240717     -5.77839378
  H     -0.50436035      2.10268163      0.21838137
  O      0.36860881      2.32850815     -0.12598324
  H     -2.99629327     -2.46620779     -6.74812612
  H      0.26421136      2.37682581     -1.08530314
          69
 Energy    -248.26966143394168     
  O     15.93594972      2.87911169    -15.13878824
  H     15.98598005      3.83720248    -15.25511319
  H     18.12965384      6.10061143    -12.63230853
  O     18.70970667      8.50889951     -9.98288334
  H     16.69420473      2.64284600    -14.58856124
  H     16.65448140      8.38810199    -16.90262792
  O     13.45347412     11.99970497    -10.92575655
  H     18.80378035      8.25081599    -10.90870745
  H     17.29954257      8.80365006    -15.56575071
  O     18.68217092      9.74968595    -14.79363903
  H     17.93852356      8.02378337     -9.65561380
  H     14.91288665      8.23380913    -12.24201503
  O     17.98729468      2.53582585    -13.18542297
  H     13.05078617     12.82943326    -10.68580353
  H     15.92713336      8.19531636    -11.06361876
  O     12.57978379      9.30808858    -10.43427250
  H     14.15835990     11.82630573    -10.27414564
  H     13.14569252      1.84071138    -13.89831409
  O     16.24774789      7.30111035     -9.48571394
  H     18.40182330     10.41779271    -14.14040917
  H     14.49898544      2.53669509    -14.18529231
  O     13.18699213      7.89329952    -12.76040523
  H     19.47910119     10.08112066    -15.19845224
  H     15.15299226     10.43403057     -8.81828097
  O     17.84896978     11.48431598    -12.91940996
  H     18.03259385      3.48768718    -12.98990533
  H     16.32585011     11.21007346     -9.48667286
  O     14.20722709      8.79054011     -8.34549758
  H     18.87550575      2.19717622    -13.10865925
  H     14.89585154      5.21251406    -11.59478621
  O     16.08241805      5.69925337    -14.84424884
  H     12.67114868      8.79384440    -11.24839861
  H     15.61128767      4.05601709    -10.86887290
  O     17.75841879      5.20759974    -12.63008614
  H     12.72108332     10.23134241    -10.67547505
  H     15.40793048     10.22042362    -12.52877276
  O     16.58611715      8.27645574    -15.95592488
  H     15.52226191      7.69881052     -8.98628695
  H     14.50293083     11.46694173    -12.34710559
  O     15.79366053      8.51905240    -11.96389903
  H     15.95697165      6.44520467     -9.83108155
  H     18.75802788     11.64161104     -9.56144276
  O     13.77176017      2.46444498    -13.54094924
  H     13.34569100      8.35201184    -13.59948080
  H     18.37301100     10.21261405    -10.00599233
  O     15.40606938     11.28099207     -9.20392192
  H     13.24602990      6.94277431    -12.92245873
  H     13.67268827      4.32633370    -13.27344995
  O     15.54553775      5.02169512    -10.90521284
  H     18.01525114     11.41616145    -11.97191009
  H     14.57965033      5.45523348    -13.82721208
  O     15.12770506     11.04765476    -12.95139401
  H     16.88558058     11.51428862    -13.01126481
  H     14.97740797      2.24993561    -12.03617586
  O     18.12623706     11.15110748    -10.08191564
  H     13.69327416      8.71570801     -7.54609409
  H     16.50991553      2.22636700    -11.93546055
  O     13.88587940      5.26238104    -13.17908619
  H     13.57453837      8.92411414     -9.07521434
  H     14.38374052     10.07618887    -14.37214605
  O     15.70754922      2.32043310    -11.40786168
  H     16.72418909      5.57565037    -14.13073152
  H     14.88321767      8.96966301    -15.31397561
  O     14.08398869      9.33865779    -14.92284403
  H     16.25787524      6.55997797    -15.24022233
  H     17.44588405      8.12460600    -12.51887350
  O     18.36101848      7.86501925    -12.71742241
  H     17.05538832      5.18602268    -11.96532719
  H     18.65437657      8.44151773    -13.42975526
          69
 Energy    -248.26954213204368     
  O     -8.18920584     -2.26827512      5.48271064
  H     -8.68110802     -1.44462716      5.61116223
  H     -7.19490491      0.35071267      3.98164521
  O     -9.75071407     -1.16733542      2.38880910
  H     -7.29314473     -2.11668748      5.80399490
  H     -4.91565968     -1.67223699      5.38635856
  O     -8.49125354     -3.57304839      3.16445749
  H     -9.55643268     -2.08135122      2.62412284
  H     -4.89134767     -2.08028342      6.87995705
  O     -5.24482846      1.15256015      0.27090421
  H     -9.01087120     -0.65224356      2.74503539
  H     -1.08514355      2.68362759      2.11706747
  O     -6.59549954      0.80986843      5.74688731
  H     -8.76654146     -4.47311186      3.31190760
  H     -2.53856124      2.23634081      2.39412741
  O     -5.41161891      5.59413188      1.95344242
  H     -8.39540023     -3.15846739      4.04377242
  H    -10.19633908      3.45127036      4.78494270
  O    -10.06051101      1.80171862     -0.26544059
  H     -5.47007669      0.29316836     -0.10179361
  H     -8.94894004      3.25563051      3.91012249
  O     -4.15544657     -1.52054065      3.84203299
  H     -6.09105547      1.56042070      0.51306228
  H    -10.67077063      1.83828419      2.88740034
  O     -4.09858212      3.76360483      0.41098952
  H     -6.07191384      0.04033130      6.00290983
  H    -10.80527660      0.39223812      2.34340159
  O     -6.33704567     -1.36513044     -0.54757890
  H     -5.99915345      1.51214525      5.45584485
  H     -6.25071660     -2.05335743      1.18489612
  O     -3.86671047      1.06313223      2.72001749
  H     -4.99739505      4.95480584      1.34634063
  H     -6.97727304     -2.78477331      2.37046814
  O     -7.38978036      0.17008469      3.05491937
  H     -5.43143265      6.43044421      1.49524195
  H     -9.29031273     -1.04786067      0.58116809
  O     -5.43768216     -1.68073710      6.20903679
  H    -10.62417481      2.34448706     -0.80866184
  H     -9.36259769      0.03807562     -0.49817922
  O     -1.98236451      3.00197863      2.17064451
  H    -10.52605118      1.66421901      0.58068550
  H     -9.61290960      1.04792224      5.25780048
  O     -9.75391856      2.81677722      4.22365281
  H     -3.92778180     -0.64969052      3.49251764
  H     -8.36013284      0.56963314      5.97400007
  O    -11.06570553      1.30969995      2.18273599
  H     -4.78283783     -1.89984118      3.21050760
  H     -4.03869141      5.21593165      3.28954069
  O     -6.22937216     -2.22006675      2.13551355
  H     -3.27596645      3.58542355      0.88457741
  H     -2.79947087      4.30216601      3.35495706
  O     -8.96763864     -0.81913493     -0.30093846
  H     -4.45885738      2.89694844      0.18618984
  H     -6.02016689      3.15849897      4.05036583
  O     -9.27930566      0.31955644      5.78887503
  H     -6.18424310     -1.85844642     -1.34918048
  H     -4.55756238      3.48565393      4.44743927
  O     -3.42572327      4.79163474      3.90348237
  H     -7.29008963     -1.16140531     -0.51991914
  H     -8.45842700      2.03145204      0.62015124
  O     -5.22578379      2.78654786      4.45611157
  H     -4.39023380      1.61010456      3.32363233
  H     -7.64651511      1.38383682      1.80173049
  O     -7.65502752      2.10327359      1.14822367
  H     -4.34091470      1.02890966      1.87752067
  H     -7.51099418      3.35846460      2.35738821
  O     -7.40865646      3.96058800      3.11225156
  H     -6.88265986     -0.60983558      2.79300094
  H     -6.82961058      4.66718216      2.79980279
          69
 Energy    -248.26946835528258     
  O     17.12594459     11.32658700    -14.52091441
  H     16.29124315     11.80583813    -14.58802132
  H     12.67412023      8.51330667     -8.51515052
  O     15.51601728      6.95917512    -11.11557311
  H     17.31636640     11.25376620    -13.57912048
  H     14.49804845     12.35064765    -11.22294972
  O     11.71036078      8.35620390    -13.22300722
  H     15.82896199      6.62436572    -11.96800128
  H     15.98928643     12.32623197    -11.60608270
  O     13.44564426     11.06029612    -10.38534314
  H     14.57349706      6.74354769    -11.06452371
  H     14.36497236      9.95936430    -11.51940720
  O     19.24539412      9.03431627    -11.84007959
  H     12.28553880      8.94342685    -13.73175135
  H     15.06324613      8.58136331    -11.79327154
  O     13.41898359      5.80292677    -16.20156976
  H     11.39153662      7.67605405    -13.82984638
  H     18.12445147      9.46343039    -16.85631826
  O     16.09520107      6.17534641    -13.70601872
  H     13.65266279     10.69799217     -9.51703154
  H     17.47146960      9.97912421    -15.55100095
  O     13.64118868      9.95293995    -14.48988287
  H     12.54399286     10.77903626    -10.60395367
  H     12.46487866      5.18692371    -12.22503605
  O     16.39280362      8.94460448     -9.34052710
  H     20.01602919      8.67055068    -11.41357069
  H     11.75810933      5.02843205    -13.58205273
  O     14.55773525      3.91928966    -14.34652638
  H     19.05396438      8.45324640    -12.59578425
  H     18.35154717      8.03713519    -14.75365457
  O     14.10439932      9.55912367     -8.04624889
  H     13.85617856      5.08598672    -15.72643489
  H     17.81378661      6.90775002    -13.85652148
  O     11.91435254      8.00639707     -8.84212729
  H     14.02496304      6.55594160    -16.16381704
  H     11.13299022      9.20528430    -10.21604636
  O     15.16359482     12.80300011    -11.75967640
  H     15.73038635      6.81055376    -14.33860984
  H     11.12233426      9.37179703    -11.75199614
  O     14.87798890      9.45220303    -12.16459100
  H     15.67976043      5.32644343    -13.90126336
  H     12.46008368      7.31738949    -11.88958540
  O     17.62185123      9.18520534    -16.09552342
  H     13.79342749     10.89337413    -14.63217164
  H     12.42658192      7.05564792    -10.35783560
  O     12.32045438      4.56395282    -12.94966252
  H     14.13643769      9.73907501    -13.67939737
  H     10.33059309      6.05516605    -15.51539436
  O     18.56925751      7.49551695    -13.98538772
  H     16.82305154      9.58484761     -9.91370193
  H     11.87667181      6.10140857    -15.45621105
  O     11.04498396      9.85852791    -10.91982397
  H     16.24125795      8.15587062     -9.88226508
  H     14.58172480      8.66356372    -15.36381661
  O     12.76209835      6.71364968    -11.19481576
  H     13.76846490      4.07650790    -13.79747425
  H     15.98330280      8.33571275    -15.94468242
  O     11.06479310      6.22344822    -14.93114193
  H     14.68714074      2.97566910    -14.38160834
  H     14.73644256     12.75833582    -13.46351161
  O     15.14321915      7.94159825    -15.67809522
  H     14.95043126      9.31234766     -8.46206392
  H     14.34696521     13.48672865    -14.76943159
  O     14.57931667     12.63199879    -14.41659289
  H     14.31801420      9.94406328     -7.20013980
  H     18.00204151     10.24513666    -11.70720695
  O     17.22413842     10.82337247    -11.65680852
  H     11.45343987      7.67512150     -8.07481913
  H     16.45128000     10.30109122    -11.92412156
          69
 Energy    -248.26921444457076     
  O     -6.62447264      3.50796925     -0.83912798
  H     -5.87721068      4.10833745     -0.74549084
  H     -7.77014865     -1.44414318      1.44377137
  O     -2.77554739      4.15351643     -2.58606840
  H     -6.60190889      2.93272038     -0.05934124
  H     -5.29114887     -1.34417979      2.07709303
  O     -6.21412191      1.72437286      1.21502965
  H     -3.22245783      3.33943385     -2.85542045
  H     -3.85800983     -1.59930465      1.57312868
  O     -2.92489199     -1.41451635      0.00179142
  H     -1.92043156      3.89127367     -2.22214099
  H     -1.51771956      2.10030386      1.77998151
  O     -0.55894118      0.54600858     -2.31206526
  H     -5.66163651      1.99502787      1.96290702
  H     -1.56341485      0.93545785      2.79315638
  O     -4.14805158      1.70684285     -2.97612624
  H     -6.56264711      0.84135600      1.38518589
  H     -3.13660872      4.04666976      0.49344186
  O     -4.33131507     -1.95235235     -2.35213787
  H     -1.96835986     -1.33598183      0.10031820
  H     -1.79677710      3.34980858      0.15415686
  O     -2.62370826     -0.28691664     -4.01279734
  H     -3.26400404     -0.51169977     -0.10815310
  H      3.30173087     -0.49154420      0.14413313
  O     -0.57149741      3.06960894     -1.12822869
  H     -1.23241613      0.17202600     -2.89225444
  H      2.48888115      0.16477747     -0.99688522
  O     -0.28755645     -0.57287751      0.23660263
  H     -0.57700352      0.07072509     -1.46922408
  H      0.67264919      2.13699749      1.46697624
  O      2.18375718      0.62369845     -2.67614154
  H     -4.03618649      1.48454565     -2.03865009
  H      1.83295151      1.68235243      0.57274705
  O     -6.96314827     -0.96938553      1.26564902
  H     -5.10138298      1.75207019     -3.12258716
  H     -7.69002831      1.97944803     -3.40210352
  O     -4.37843458     -1.43920447      2.37290510
  H     -3.82132928     -1.95835285     -1.52966201
  H     -6.87630810      2.43677247     -2.16697547
  O     -1.00397242      1.36200906      2.13063641
  H     -3.75861550     -1.52766917     -2.99896372
  H     -2.82310467     -0.10615039      4.75141142
  O     -2.50327291      3.39193272      0.81834469
  H     -3.20088342      0.44996130     -3.74443478
  H     -3.44371410     -0.38565763      3.36113013
  O      2.48299476     -0.04144984     -0.04613446
  H     -2.64449110     -0.32381023     -4.96579512
  H     -5.87916188     -1.18259989     -1.79532267
  O      1.30847300      2.45547502      0.81372266
  H      0.18121600      2.99764542     -0.52309032
  H     -6.78071913      0.07469682     -1.91754321
  O     -6.92165536      1.77108315     -2.87828173
  H     -0.61365151      2.22646433     -1.60052098
  H     -3.35175214      1.89912720      0.09169945
  O     -2.89792061      0.24329893      3.86763116
  H     -0.54633587      0.08535284      0.89855362
  H     -4.75030723      1.25740471      0.15036729
  O     -6.62960114     -0.71904181     -1.39506195
  H      0.67652768     -0.56175869      0.20630651
  H     -4.29642595      6.07128736     -0.52290395
  O     -3.88479890      1.18431784     -0.27432851
  H      2.43519563      1.36023114     -3.22847940
  H     -3.75317374      4.86556831     -1.33205252
  O     -4.24479557      5.11882514     -0.52935604
  H      1.21322418      0.59926245     -2.68495895
  H     -3.67897597      2.99523800      2.46229889
  O     -4.31817629      2.55759626      3.03290152
  H     -6.86900999     -0.93118591      0.29521099
  H     -3.85454996      1.80283646      3.41952014
          69
 Energy    -248.26885559725997     
  O     11.14703848     10.96025455    -15.37708798
  H     11.39825164     11.05743964    -16.30404616
  H     13.37996687     14.45897272    -11.90818313
  O     14.17903454      9.87251517    -10.34548835
  H     11.10695916     11.85514702    -15.00805508
  H     12.41361932     13.34624227    -17.09986635
  O     18.66826531     13.14527443    -13.22404319
  H     13.27930965      9.75415847    -10.66757813
  H     11.97803622     14.04735044    -15.80607228
  O     11.17843380     12.41868826    -10.60726395
  H     14.28751736     10.81057985    -10.13154030
  H     15.38059766     11.87740226    -12.85687173
  O     11.59814776      9.83573038    -11.59477148
  H     19.58671528     13.39858038    -13.24264182
  H     14.19931631     11.17579659    -13.61143826
  O     13.17384188      9.71225771    -13.90487810
  H     18.43221065     12.86588116    -14.12797469
  H     16.95644387     12.95161300    -15.77204800
  O     14.79757860     15.28569039    -11.09685684
  H     11.78902878     12.92754092    -11.16604432
  H     17.56022263     11.53244010    -15.88167661
  O      9.50036252      9.76061117    -13.51172536
  H     11.40604369     12.62115054     -9.70278900
  H     13.10077065     11.37755202    -17.73625111
  O     15.19487856     13.63828776    -15.55818356
  H     11.44279034     10.71383429    -11.21866896
  H     12.01413367     11.42331010    -18.83874074
  O     14.75180290     11.32412676    -17.25384793
  H     10.82554169      9.64800188    -12.14250429
  H     16.84268737      8.24748155    -10.84512779
  O     10.93556013     13.53216332    -14.31702642
  H     12.54434458     10.08434260    -14.53609960
  H     15.62486175      9.18587263    -11.01569918
  O     12.83437571     13.78301740    -12.32752207
  H     12.71410111      9.67574540    -13.05524672
  H     14.80418084      8.89388007    -14.13463628
  O     12.64453951     14.06902922    -16.50571859
  H     15.41040200     15.20726137    -11.84977498
  H     16.04523824      8.66405429    -13.24837294
  O     14.62384572     12.02490043    -13.43837322
  H     14.94335738     16.14761927    -10.71682165
  H     16.53951685      9.38063811    -15.51234306
  O     17.77134470     12.44676884    -15.65386072
  H      8.89662163      9.12050160    -13.87997744
  H     17.42592023      9.13472636    -16.75564003
  O     12.15342382     11.53776692    -17.90297590
  H     10.02284947     10.11127083    -14.25283239
  H     16.94549848     10.70880394    -11.69254901
  O     16.46340386      8.90172262    -11.42542216
  H     14.34798935     13.95233736    -15.90789156
  H     17.57991096     12.06464947    -12.19671061
  O     15.74381232      8.66667933    -14.16432200
  H     14.99296604     13.04596586    -14.81418594
  H      9.02952252     11.53795699    -12.83101655
  O     16.93950553      9.80961860    -16.28993804
  H     15.46132043     10.71756150    -17.01347570
  H      9.62109716     12.50024724    -11.78948306
  O     16.82401619     11.66456427    -11.75024661
  H     14.92800839     12.13808759    -16.76775136
  H     16.00713967     14.72515009    -14.10439951
  O      9.05817629     12.46716539    -12.57321566
  H     11.61400085     13.73626718    -13.65750531
  H     17.22374535     14.44671216    -13.20044257
  O     16.41894431     14.97391566    -13.26881051
  H     10.14301249     13.30247147    -13.81187510
  H     15.67748896     12.28836929    -10.45665543
  O     14.90233920     12.56834338     -9.94655266
  H     13.45108796     13.12299062    -12.67964768
  H     14.79298268     13.49609473    -10.17698593
          69
 Energy    -248.26880843896652     
  O     18.98063955      9.45118278    -15.18430194
  H     19.19965736      8.52325035    -15.33304622
  H     20.24566436      6.79470965    -14.66043081
  O     21.41803001      7.31803652    -13.38453226
  H     18.08703294      9.56376136    -15.52719546
  H     18.70623455      3.55953087    -13.74722908
  O     16.22841540      8.35288176     -9.67276539
  H     20.99044785      8.06144697    -12.94399901
  H     19.48328916      4.67647733    -14.49001801
  O     13.05302000     10.52487641    -12.14405721
  H     21.42350152      6.58262735    -12.75922168
  H     15.84881781      9.54629467    -13.11987729
  O     16.29677455      9.32588848    -16.22859470
  H     15.82871367      7.53339280     -9.99630897
  H     15.42494262      9.50588111    -14.61609945
  O     11.72256670      7.99108409    -12.00178140
  H     15.48784652      8.95096165     -9.49638904
  H     18.02236819      6.33538845    -12.17359186
  O     18.79161617      5.65511782    -10.67814619
  H     13.75690683     10.23436002    -12.74716499
  H     17.45613657      7.67854145    -12.70538670
  O     14.71076515      6.20400882    -10.63412309
  H     12.79522861     11.39899825    -12.42650354
  H     14.38136613      7.79856867    -13.45958657
  O     21.17598751      4.87174403    -11.89276815
  H     16.48192554      8.38307209    -16.38976019
  H     14.48487139      6.27567912    -13.76195630
  O     16.53016778      4.05481118    -10.93099669
  H     16.06797543      9.70673593    -17.07261584
  H     18.80597919      7.73001144     -7.78663482
  O     16.95764037      2.91570091    -13.34114637
  H     12.36470236      7.49994446    -12.53385575
  H     17.81281740      7.91934501     -8.94547945
  O     19.39374318      6.59047280    -15.07547999
  H     11.99459304      8.91482818    -12.07110275
  H     13.29679531      8.93652297     -9.34276285
  O     19.58570801      3.93222863    -13.88643260
  H     19.67906972      5.39189959    -10.95002363
  H     13.59130786     10.07322054    -10.33733385
  O     15.08300934      9.50470779    -13.71360895
  H     18.86482296      6.29981826     -9.96062190
  H     20.49078701     10.52095421    -12.55628197
  O     17.63336920      6.76278323    -12.94902269
  H     13.92370894      6.41782522    -10.11743071
  H     19.62631341      9.74169424    -13.57595977
  O     13.99769005      6.93595517    -13.25176143
  H     14.50090214      6.43526290    -11.54998188
  H     16.09079778      4.35516827    -14.19562374
  O     18.69814937      7.58714062     -8.72347047
  H     20.65263112      4.45601522    -12.60245501
  H     16.43864530      5.81510158    -13.86249060
  O     13.85901491      9.70906731     -9.48488521
  H     21.89641819      4.27859781    -11.69781676
  H     17.88304089      6.59037656    -16.28484744
  O     19.93236126      9.75286592    -12.65029139
  H     17.35547599      4.51105225    -10.71486371
  H     16.45724898      6.13019159    -15.95045019
  O     15.85713231      5.26447976    -14.41353831
  H     15.82950221      4.70133455    -10.77785453
  H     12.01459309      7.47869556    -10.35292167
  O     16.95915498      6.71438380    -16.53560176
  H     16.72710580      1.99094479    -13.32307206
  H     11.60731514      6.93003344     -8.96370116
  O     12.35023713      7.25192994     -9.46657365
  H     16.77718630      3.26867379    -12.45005738
  H     18.17055429      9.56723170    -12.06029324
  O     17.22629461      9.36851760    -12.03713578
  H     18.74257297      6.66101970    -14.35735625
  H     16.97410734      9.10048642    -11.14236084
          69
 Ord_Energy   -248.268707    
 O    1.40695822      -2.12117934      0.148976937    
 H    1.22115064      -2.25585985     -0.793133020    
 H   0.591480970      -2.35832119      0.607213199    
 O    1.07874072       2.47874808      -1.00485718    
 H    1.13771486       1.88008904     -0.247817650    
 H    1.98573732       2.64401913      -1.29265940    
 O    1.10106909     -0.886280656      -6.13523054    
 H    1.70460820     -0.157455698      -6.32424545    
 H   0.287312627     -0.483507007      -5.80347633    
 O    2.14763021      -3.02147841      -4.90078211    
 H    1.94065630      -3.80397320      -5.40433455    
 H    1.76116335      -2.26577640      -5.38210106    
 O   -1.31535602      0.320600659       1.06171012    
 H   -1.36955619     -0.642582893       1.11250556    
 H  -0.385818779      0.536627948       1.19648814    
 O    3.64115810      0.654241562      -3.77047706    
 H    3.97145224     -0.249384105      -3.69929981    
 H    3.50387383      0.853065729      -4.70669985    
 O   0.775259316      -2.33523250      -2.51462722    
 H   0.781645894      -1.37049174      -2.61878562    
 H    1.17567694      -2.70114779      -3.30869102    
 O    4.33114958      0.959185719      0.475781649    
 H    4.30484009       7.23614022E-02   7.20305592E-02
 H    5.04485846      0.952333391       1.10825324    
 O   -2.90832829       1.48395872     -0.817328930    
 H   -2.33524156       1.08430135     -0.140041634    
 H   -3.73995662       1.67210901     -0.389233112    
 O    3.79099393       2.57757163      -1.78023434    
 H    3.82620645       1.92499566      -2.49594831    
 H    4.07290792       2.12028217     -0.978573382    
 O    2.92545962       1.27708805      -6.38824749    
 H    2.41494298       2.04845548      -6.07419825    
 H    3.39834261       1.55916440      -7.16585970    
 O    1.53230357      0.574842751      0.965852022    
 H    2.47302294      0.786400318      0.982578099    
 H    1.47528195     -0.342582911      0.660920560    
 O   -2.89524722     -0.498884112      -2.89520240    
 H   -2.91858387      0.214006588      -2.24530339    
 H   -2.33624768     -0.191559896      -3.61896563    
 O   -1.21198142       3.28562689      -4.90727568    
 H   -1.88432539       3.86942816      -5.24694252    
 H   -1.25842702       3.33690023      -3.93451214    
 O   -1.86076772      -2.69629717      -1.58285832    
 H   -2.33736730      -1.98515415      -2.03594708    
 H  -0.986482024      -2.71283221      -1.99177468    
 O    4.31702137      -2.05979729      -3.46020555    
 H    3.58667994      -2.45229101      -3.96453810    
 H    5.10958815      -2.52549100      -3.71833253    
 O  -0.967895985      0.472399503      -4.80054474    
 H   -1.14493334       1.40420878      -4.97821474    
 H  -0.303823113      0.463756561      -4.09360170    
 O   -1.27991939       3.30317068      -2.21897483    
 H   -1.91349757       2.73879051      -1.75795627    
 H  -0.435504824       3.15943122      -1.77093863    
 O   0.996564925      0.374871463      -2.85136032    
 H    1.88538957      0.475575924      -3.21557641    
 H   0.885906041       1.07341433      -2.19616842    
 O    2.80310702       4.70690012      -3.28687930    
 H    3.27071452       4.06355429      -2.73342609    
 H    2.44760609       5.35822010      -2.68556476    
 O    4.05104637      -1.50713670     -0.609946609    
 H    3.20937753      -1.85354829     -0.282957792    
 H    4.10821486      -1.75198185      -1.53931272    
 O    1.57764804       3.34442210      -5.39845037    
 H   0.623965621       3.37120795      -5.25932407    
 H    1.98355937       3.87261009      -4.69774532    
 O   -1.25140405      -2.51729321       1.02555680    
 H   -1.73013270      -3.16234231       1.53777778    
 H   -1.54637289      -2.61515927      0.100185260    
          69
 Energy    -248.26856337216481     
  O     13.04670461     14.31653867    -13.75501295
  H     12.38480758     15.00338394    -13.72220054
  H     16.52259877     11.03266975    -17.93182664
  O     16.82814098      7.96454084    -16.94810501
  H     12.98620584     13.92064371    -14.64115531
  H     12.66887051     10.45984771    -18.36065835
  O     15.36477617      9.37724690    -11.19376162
  H     17.13481897      7.18135683    -17.39791628
  H     14.08564446     10.63488520    -17.76571417
  O     14.94522221      7.43454974    -15.02983485
  H     16.11910569      7.68417496    -16.34423830
  H     18.71121030     14.18038353    -12.54798441
  O     14.49068957      7.00757103     -9.98681582
  H     15.79775992     10.24162614    -11.19260557
  H     18.29618274     13.15659135    -13.62475840
  O     15.93556331      5.33801540    -11.56882583
  H     14.47686469      9.52102008    -11.55142976
  H     13.13886310     11.65400530    -11.83002228
  O     15.75991854     11.18324597    -14.34835756
  H     14.36314964      8.20836570    -15.03336563
  H     13.29854822     13.09597137    -12.38758076
  O     12.80993392      9.78580281    -12.27138489
  H     15.54677931      7.53368764    -14.27642973
  H     17.71953612      8.95313918    -15.57081970
  O     16.72621760      7.70565924    -12.89239932
  H     13.59316926      7.03005658    -10.34057213
  H     17.68112797      8.80552285    -14.03275038
  O     18.91535065     12.05782392    -14.89476784
  H     14.86816072      7.87378612    -10.19619587
  H     14.40065019      5.38729383    -12.73976503
  O     13.49175473      9.78469994    -14.96220774
  H     16.32937210      4.61193142    -11.09339164
  H     13.97913966      6.16102030    -14.00125482
  O     15.80629128     10.39107420    -18.00019308
  H     15.45047783      5.87354582    -10.91428309
  H     15.82427123     12.63933548    -15.46054979
  O     13.13486505     10.72037626    -17.57088140
  H     15.84971646     11.43560967    -13.42045914
  H     15.91456870     14.19107912    -15.45426837
  O     17.95522097     13.72878131    -12.91562159
  H     16.51045731     10.61123298    -14.55490572
  H     15.31409012     12.28589130    -11.57362116
  O     13.57136876     12.50274002    -11.67563305
  H     12.91073433      9.77038701    -13.23404847
  H     16.81521880     12.62052617    -11.94795577
  O     17.92097390      9.41298324    -14.74674136
  H     12.43039554      8.93637750    -12.01356775
  H     12.94363813     12.44879004    -16.73839522
  O     13.62994657      5.65876657    -13.25414541
  H     16.64842896      6.83441374    -12.48611521
  H     14.06407717     13.41869596    -16.36056503
  O     15.87855264     13.41807410    -16.03541380
  H     16.28686340      8.32614132    -12.29013362
  H     11.23734690      6.72153819    -11.42482345
  O     16.21195424     11.92376260    -11.66722298
  H     18.69182154     12.21299545    -15.81980141
  H     12.56455622      6.59504338    -12.20900255
  O     13.10886595     13.28144555    -16.28407379
  H     18.76635109     11.11301202    -14.75754825
  H     14.92367854     14.98072623    -13.74795202
  O     12.07979114      7.14485371    -11.56815220
  H     13.20028927     10.05528537    -15.84049282
  H     16.45741402     14.80111991    -13.51939917
  O     15.79569611     15.27332924    -14.04101990
  H     14.26486853     10.33304331    -14.75065375
  H     17.12309430     12.88251064    -17.09490849
  O     17.82470443     12.40156566    -17.57217805
  H     16.17501514      9.54427868    -17.72037477
  H     18.15355208     12.99270319    -18.24491485
          69
 Energy    -248.26847461665261     
  O     16.57006706      9.91535959    -17.53047170
  H     16.64841787      9.70446375    -16.58672226
  H     14.77197687     12.44917039    -11.48264197
  O     15.22215793     13.68547069    -15.86080083
  H     15.69278747      9.63896302    -17.78521604
  H     19.69140158     15.88348801    -12.83190235
  O     17.66478445     10.15888155    -11.07040004
  H     15.96845371     13.17316632    -15.50858192
  H     20.77479875     15.08820406    -13.56938520
  O     19.69023035     12.05858380    -11.49839621
  H     14.43656692     13.25261703    -15.50850605
  H     21.43986338     11.18223328    -13.68571201
  O     13.31275083     12.42722589    -14.16887931
  H     18.34270432     10.84553159    -11.02188705
  H     20.25305739     11.02983188    -14.65589184
  O     15.02747605     10.70957765    -10.78657694
  H     17.99989363      9.52352059    -11.71300224
  H     14.55615060     10.06964030    -12.50514722
  O     16.72251254      9.48147015    -14.80239509
  H     19.99349974     11.61871827    -12.30392922
  H     13.95422353     10.65253369    -13.79576663
  O     17.30200171     14.39416659    -17.61116671
  H     20.41891894     12.61475971    -11.19556634
  H     18.38953720     15.44734376    -16.75615898
  O     21.80126514     13.82873135    -11.03728191
  H     12.41178066     12.70362285    -14.01769300
  H     19.05262847     16.84326041    -16.73197402
  O     19.59008426     12.00486488    -16.02920518
  H     13.83423677     12.76110367    -13.41776158
  H     20.56584382     13.46058542    -15.51895948
  O     18.26595936     11.82376910    -18.50188949
  H     15.98128421     10.52227702    -10.85512386
  H     20.44091110     14.97774165    -15.64049965
  O     14.82948282     13.25071787    -12.01829232
  H     14.73967161     10.35343604     -9.95030396
  H     18.26477271     16.06290471    -14.50154828
  O     20.57663313     15.51709835    -12.72474060
  H     15.89202794      9.49845852    -14.30048311
  H     16.98265945     16.07233500    -13.62544083
  O     20.61635930     10.69151186    -13.82491736
  H     17.41251615      9.08659418    -14.25754058
  H     22.25084713     13.21658044    -14.14897852
  O     14.40738993      9.87832249    -13.43996497
  H     16.47129050     14.21996919    -17.14868230
  H     22.50376347     12.98262338    -12.64799766
  O     18.97994980     16.02722445    -16.24328679
  H     17.59827554     13.54975798    -17.97014292
  H     19.56710319      9.31465173    -13.40986206
  O     20.97604704     14.28743808    -15.22813402
  H     22.28541317     14.27143435    -10.34648942
  H     19.33588036      7.81491432    -13.11992674
  O     17.94995947     16.04251452    -13.58867886
  H     21.36437701     14.52181024    -11.56749945
  H     17.32082879     12.59940943    -13.83199855
  O     22.59102650     12.57104821    -13.51645704
  H     19.35075869     11.89919295    -16.95579123
  H     17.01394433     11.27437409    -14.63257028
  O     18.88805561      8.65455076    -13.18841943
  H     18.75335664     12.16919658    -15.56461524
  H     14.90753980     15.06482304    -13.05678874
  O     17.23063712     12.21213073    -14.71262846
  H     18.51547016     11.58259160    -19.39015919
  H     15.19173981     15.08670347    -14.56319141
  O     15.21755688     15.63539702    -13.76708463
  H     17.64935798     11.13938468    -18.18823176
  H     17.78941130     14.42730461    -12.73859551
  O     17.53983662     13.57665220    -12.35239388
  H     15.78064063     13.42228763    -12.09542880
  H     18.32825013     13.15707168    -11.98640312
          69
 Energy    -248.26828614234034     
  O      8.00695631     -9.09806709      0.18469428
  H      7.11965765     -9.46887726      0.10563348
  H      8.01704609    -12.14102918     -1.49747493
  O      6.51114844     -9.85238858      3.32341494
  H      8.02863094     -8.55443254      0.98264604
  H      8.61330340    -10.65573236     -3.15490557
  O     10.53266642    -10.71722541      4.71445875
  H      6.60963832    -10.60156738      2.71724406
  H      7.92672811    -11.76133454     -3.98998431
  O     10.77093328     -8.88379512      2.69934022
  H      5.73294082     -9.35834368      3.03399119
  H      7.31743127    -10.87298051      6.31469801
  O      5.70919597     -6.92867212     -2.34912072
  H      9.64545973    -10.77759833      5.08969460
  H      7.27967319    -10.53411789      4.80751045
  O      5.45020597     -6.52949125      0.46940595
  H     10.61183010    -11.46666586      4.11069208
  H      4.89566015     -9.63059652      0.74141315
  O     11.87475263     -7.48734071      0.47720065
  H     10.65366127     -9.50947652      1.97420577
  H      5.64194197    -10.98743022      0.60651389
  O      9.87928033     -9.47547397     -3.03428730
  H     10.78901251     -9.41675705      3.50834880
  H      7.92389211     -6.14056593      2.09869269
  O      8.25588773     -7.77286728      2.66584876
  H      5.63546820     -7.89131488     -2.48655385
  H      7.74076652     -4.61971610      2.31569915
  O      4.43344140     -8.40937255      2.09684596
  H      5.20365278     -6.51141579     -3.04120144
  H     10.87487757    -10.45424303     -0.07494152
  O     10.49408811    -12.64841987      2.58537506
  H      6.20008754     -6.00356924      0.77337865
  H      9.39880229    -10.21467938      0.38329038
  O      8.20775016    -12.48435238     -0.61495010
  H      5.52906897     -6.61463914     -0.48827855
  H     12.95294078     -9.73925572     -1.42428479
  O      7.86607597    -11.28023804     -3.16838503
  H     11.24421446     -6.78781176      0.24824937
  H     12.03315449     -8.78185437     -0.62823134
  O      7.78972621    -10.99338922      5.49450950
  H     11.65033178     -7.77871306      1.36798477
  H      9.44629711     -6.16337110     -0.92249248
  O      5.35322817    -10.20436814      0.11592739
  H     10.67440757     -9.51568665     -2.49176171
  H      9.19516482     -5.42997336      0.40247942
  O      7.71798863     -5.30215095      1.64917943
  H      9.44044866     -8.64484386     -2.80106882
  H      7.89034151    -12.64319664      4.45762740
  O     10.19290133    -10.74942268      0.54419706
  H      9.17283187     -8.06991783      2.75908125
  H      8.82641585    -13.16435372      3.35354470
  O     12.04699770     -9.59706278     -1.16464649
  H      7.68499131     -8.46826947      3.01693396
  H      6.35696488    -10.17425284     -2.84790870
  O      9.89444008     -5.69576336     -0.20409685
  H      3.53705338     -8.17822983      2.32441936
  H      5.39944064     -9.90473187     -1.67068349
  O      7.94121222    -13.26977019      3.72607112
  H      4.77871345     -7.68747954      1.53909507
  H      8.32996941     -7.97586607     -1.20792175
  O      5.62347578     -9.61491314     -2.56686897
  H     10.38475147    -12.02392539      1.85200893
  H      7.57272587     -7.07828821     -2.20631028
  O      8.45779673     -7.35309259     -1.94039772
  H     11.13058666    -13.29894149      2.29649584
  H      6.97428997    -12.64187366      2.33893155
  O      6.63957003    -12.09559395      1.61472022
  H      9.02314097    -12.05047607     -0.34195615
  H      7.16519048    -12.31493181      0.83030168
          69
 Energy    -248.26825074243365     
  O     19.08135855      9.63018123    -14.92431122
  H     19.37030944      8.71371717    -15.00284672
  H     20.35287636      6.77304814    -14.36293627
  O     21.55905806      6.75333351    -13.06890692
  H     18.23308076      9.68622227    -15.38026583
  H     18.48341403      3.61263654    -13.97605122
  O     16.29201584      8.34846699     -9.53085430
  H     21.31717717      7.41477997    -12.40278876
  H     19.37412258      4.75957979    -14.53422554
  O     13.19703589     10.00659255    -11.65624341
  H     21.52072463      5.90326171    -12.61750527
  H     15.66995013      9.56907367    -13.22217101
  O     16.53282797      9.50829136    -16.24910502
  H     15.75762469      7.64136833     -9.91720101
  H     15.40911770      9.61886248    -14.74488622
  O     12.01654127      7.38944869    -11.65001272
  H     15.68750917      9.07261443     -9.30531603
  H     17.93165933      6.34578485    -12.17951026
  O     18.64350926      5.44465007    -10.74151264
  H     12.69213707      9.18435255    -11.62456773
  H     17.38538904      7.73397650    -12.64850517
  O     14.64804246      6.47724699    -10.84513716
  H     13.68937723      9.99239970    -12.48565280
  H     14.28174747      7.89127140    -13.74445332
  O     20.89899299      4.22080186    -11.84938582
  H     16.38596519      9.93029417    -17.09196361
  H     14.49793932      6.37941282    -14.05363981
  O     16.24426754      4.09510111    -11.10477052
  H     16.74737281      8.57698855    -16.43795532
  H     19.12192169      7.76974423     -8.13870853
  O     16.71506562      3.01041736    -13.54838484
  H     11.14508336      7.06028246    -11.85397218
  H     17.96713728      7.94675036     -9.15139587
  O     19.51965630      6.76750442    -14.86062351
  H     12.57943147      7.17433157    -12.41493800
  H     14.13648382     11.12043252     -8.82117271
  O     19.39539922      3.91069872    -14.07950441
  H     19.47909414      5.04387809    -11.01497194
  H     14.02250164     10.30405951    -10.12089872
  O     14.96659991      9.55352247    -13.89015785
  H     18.83293792      6.13622810    -10.09626815
  H     20.08604844      8.33820076    -10.43973410
  O     17.55170845      6.82488013    -12.92755415
  H     14.70434720      6.63526272    -11.79796633
  H     20.26918511      9.37128401    -11.57072518
  O     13.95770647      7.00018362    -13.54868445
  H     13.72337917      6.65678473    -10.64584553
  H     19.66690850     11.64751704    -12.54803262
  O     18.89790362      7.67995536     -9.06168645
  H     20.40337668      4.02050487    -12.66472389
  H     19.31585683     10.39759471    -13.39427904
  O     14.50587597     10.37115210     -9.27948872
  H     21.48011775      3.48228350    -11.69039741
  H     16.07125299      4.51479492    -14.42915365
  O     20.65404702      8.57757122    -11.17998554
  H     17.10335098      4.46698869    -10.85736628
  H     16.47416841      5.95131741    -14.03892434
  O     19.35009778     10.75086490    -12.48581382
  H     15.60453649      4.79531532    -10.93332882
  H     18.16631311      6.82190157    -16.22605323
  O     15.92387378      5.44020360    -14.65618154
  H     16.45690558      2.09300684    -13.56774634
  H     16.71620133      6.32781459    -16.09472930
  O     17.28220389      6.92676091    -16.60065546
  H     16.51439053      3.34176189    -12.65426236
  H     17.76719395      9.93783106    -12.06937194
  O     16.97491927      9.38700431    -12.03569031
  H     18.81794877      6.83060025    -14.19324559
  H     16.77593792      9.17150722    -11.11649259
          69
 Energy    -248.26813748132000     
  O     -3.95313287     -0.03928406      3.11793843
  H     -3.75676744      0.78845272      3.57526632
  H     -6.10078936     -2.18621927      1.59997934
  O      0.37155497      2.84617150      3.04863993
  H     -3.10083121     -0.43818756      2.90246709
  H     -2.57793897      2.62722209     -0.96804280
  O     -1.38282582     -0.95799790      2.47421424
  H     -0.42042459      3.32824029      2.77834471
  H     -3.13430752      1.75507285      0.16534656
  O     -3.60413699      0.11017372     -2.68997449
  H      0.07227047      2.15010022      3.64573546
  H     -6.10957283      1.71049653      0.42306565
  O     -1.61394595     -1.49379471     -1.40815537
  H     -0.97766757     -0.46360335      1.74788742
  H     -7.39151842      2.03404048      1.21250081
  O     -4.56184738      0.81598047      0.54544745
  H     -1.84152475     -1.70269244      2.05560490
  H      2.66734504      2.10503279      0.93227453
  O     -7.69412500      1.66028249      3.00846976
  H     -2.86118462     -0.40024469     -2.34647969
  H      1.37211339      2.16003905      1.76243709
  O     -8.00158203      0.34549577     -1.52699005
  H     -4.38842639     -0.33495525     -2.34001000
  H     -5.33592263      3.94072637      3.01631424
  O     -3.04042234      2.29089956      4.32576066
  H     -1.10776107     -0.86341322     -0.86776785
  H     -4.79681533      2.95901833      4.07357515
  O     -3.61216523      2.83007277     -2.53189200
  H     -0.97390735     -2.04116743     -1.85749168
  H     -2.90053188      4.43108683      2.08737815
  O     -5.65614291     -1.06198902     -1.23652059
  H     -4.83320232      0.10604991     -0.05105724
  H     -2.14895339      3.29994537      1.36392473
  O     -5.76123168     -2.81147970      0.93498888
  H     -4.43036033      0.45013895      1.42963072
  H     -4.81459592      6.10368502      1.78036793
  O     -2.35937936      2.27834024     -0.09677918
  H     -8.43011758      1.86628207      3.57860013
  H     -4.83770581      4.85084217      0.87606168
  O     -6.98535972      2.12096855      0.34166971
  H     -6.95448573      2.22741520      3.29369502
  H     -7.03326501     -0.17507140      2.83732573
  O      1.81501142      1.69158795      1.03371219
  H     -8.52545447      0.78138867     -2.19436032
  H     -5.62632190     -0.73671141      3.08180674
  O     -5.60813813      3.26710446      3.65149341
  H     -7.74926491      1.03364840     -0.89036554
  H     -0.28456503      0.19903555      5.31109724
  O     -2.15532990      3.82468414      2.17825397
  H     -2.72066475      2.84191731      3.59484219
  H     -0.90081004      0.02819819      3.90607448
  O     -4.58792434      5.17753903      1.75849575
  H     -2.27492268      1.79185041      4.63515220
  H     -2.59751461     -2.34507163      0.06562947
  O     -6.51846884     -0.98800680      2.79896703
  H     -3.39869179      3.18054505     -3.39250008
  H     -3.82397495     -2.74881763      0.92590128
  O     -0.71840904      0.67546035      4.60755358
  H     -3.64331199      1.86086744     -2.62809921
  H      0.44102338      0.76296757      0.41496016
  O     -2.86483498     -2.65706046      0.93900272
  H     -6.52657945     -0.66638206     -1.39278152
  H     -1.04823347      1.08021016      0.07669731
  O     -0.41365433      0.36021484      0.20651916
  H     -5.76588547     -1.76749942     -0.58729415
  H     -6.05171572      3.54697637     -0.39408858
  O     -5.36596004      4.18011635     -0.64801593
  H     -6.19847303     -3.64371458      1.09507179
  H     -4.82371366      3.74352580     -1.31479269
          69
 Energy    -248.26807012187959     
  O     11.64508344      8.57720738    -15.25303283
  H     12.33878862      8.14448282    -15.77105013
  H     17.31383309      6.39250246    -14.44425282
  O     16.85399947      7.21871954    -12.86169969
  H     11.78605318      9.52454099    -15.35989525
  H     19.80081506      9.65437819    -14.08562744
  O     16.12571603     11.70270801    -12.32022226
  H     17.26585244      7.98190482    -12.43421698
  H     20.53869810      8.58744728    -13.26678318
  O     16.75857729     11.05006963    -14.95642587
  H     16.17369721      6.90706929    -12.25055887
  H     14.92721667     10.44229980    -17.45601766
  O     14.68934609      4.95676131    -15.56999357
  H     16.05883867     12.00558530    -11.40439124
  H     15.44578114     11.33833964    -16.31465284
  O     14.09122919      9.93600707     -8.99685023
  H     15.23847527     11.40284992    -12.56651568
  H     14.78436406      8.30159156    -15.16360751
  O     14.83578958      6.71999456    -11.00872440
  H     16.29309917     10.20084418    -14.88610797
  H     15.79054725      8.16672599    -13.97069733
  O     13.71510486     10.59128139    -13.15236561
  H     16.66313609     11.47381314    -14.09341303
  H     10.39609880      6.95460287    -12.88333633
  O     17.76533204      8.17026123    -17.10126277
  H     14.51672079      4.04793048    -15.80097143
  H     11.38614225      7.75725429    -13.76039900
  O     16.44337228      8.26419332     -9.38007710
  H     14.28801105      5.10291953    -14.69403192
  H     14.02573692      5.70349670    -12.37542060
  O     19.23428246     10.25145207    -15.74485962
  H     13.61078144      9.54334281     -9.74391281
  H     12.72787973      6.00958304    -13.13795629
  O     17.33170835      6.07899712    -15.35910031
  H     13.54192115      9.80717425     -8.22683202
  H     17.23968902     10.26813752    -11.83983121
  O     20.00550134      9.37554546    -13.18138443
  H     15.44826145      7.06361686    -10.34157842
  H     18.61204115      9.55131786    -12.03753752
  O     14.69832455     11.20539700    -16.91137387
  H     14.17234085      7.41408223    -11.12010831
  H     15.15121375     11.42226516     -9.37000985
  O     15.25280556      8.78885995    -14.47654309
  H     13.16392123     10.98915191    -13.83564963
  H     16.44985406     12.11867741     -8.94121628
  O     11.29680269      7.26473501    -12.92393480
  H     14.22753945      9.89652189    -13.59956473
  H     15.59432485      8.75194438    -19.26258935
  O     13.53203179      5.47810201    -13.17409173
  H     18.36956022      8.78606152    -16.67598931
  H     16.32982286      8.60016972    -17.90840021
  O     17.76863777      9.50892882    -11.56450549
  H     17.67213754      7.40838328    -16.50872651
  H     12.25293853      8.27334612    -11.68340090
  O     15.76934192     12.12762574     -9.61176977
  H     15.73403624      8.87392245     -9.14686063
  H     13.16522529      9.50356534    -11.86332422
  O     15.47533626      8.82908864    -18.32005085
  H     16.98564961      8.72283724    -10.03726082
  H     11.85922426     12.08063126    -15.81545305
  O     12.91140349      8.81463630    -11.23024317
  H     19.67329797     10.92531939    -16.25837220
  H     13.17789301     11.30948520    -16.05213010
  O     12.37335951     11.34078540    -15.50399770
  H     18.36589134     10.61221861    -15.49254354
  H     14.14910710      6.54727894    -16.33811572
  O     13.85375950      7.45147772    -16.50800105
  H     16.50155503      5.60386931    -15.48015821
  H     14.37393513      7.82195770    -17.23277426
          69
 Energy    -248.26800643462514     
  O     17.16423578     11.08636600    -14.93613588
  H     16.48308823     11.73171047    -14.71307774
  H     13.67300560      8.16949479     -8.26928158
  O     15.00392268      6.72473760    -11.57049175
  H     17.56380337     10.82210888    -14.09684670
  H     14.81509752     12.19716005    -10.80618626
  O     11.52014955      9.00780149    -13.04013169
  H     15.10148143      6.32070089    -12.44329898
  H     16.26291302     12.67547705    -10.99215134
  O     14.27608165     10.63575201     -9.83655206
  H     14.05742229      6.80615710    -11.38764928
  H     14.90730332      9.84833740    -11.34177471
  O     19.09145600      7.61764032    -12.12301741
  H     12.18528204      9.63238341    -13.35768997
  H     15.21695466      8.45874157    -11.97295704
  O     15.25480197      5.85355607    -14.17541133
  H     11.33069361      8.43903592    -13.79620529
  H     16.90387225      9.65785688    -15.89831479
  O     13.73611274     10.36618787    -14.11029475
  H     13.63061246     10.03116377     -9.45392924
  H     17.20133685      8.92375239    -17.22592919
  O     16.77643112      9.98455722     -8.83230924
  H     15.11826248     10.45926390     -9.38814325
  H     11.80116606      5.85516767    -12.31837722
  O     13.59404451      3.69158982    -14.12453774
  H     19.96814413      7.24532011    -12.15944240
  H     11.53063520      5.91011309    -13.83623015
  O     15.34164068      7.81032342     -7.74467986
  H     18.63595596      7.34023927    -12.93999248
  H     17.56171069      7.61950893    -15.07564987
  O     17.16110704      7.43009012    -10.00893007
  H     14.79736616      6.54902230    -14.66438559
  H     16.97230952      6.44580554    -14.28437465
  O     12.82408400      8.49658990     -8.61341186
  H     14.73195210      5.04104579    -14.23892911
  H     12.02215666      7.91869574    -11.71864388
  O     15.36873549     12.78337717    -11.33766146
  H     14.02945726     11.27415079    -14.23725934
  H     12.37977906      7.62722752    -10.22882886
  O     15.30306388      9.41126991    -12.10813588
  H     14.31584583     10.00450060    -13.41991112
  H     11.08863662      7.08927544    -16.08719889
  O     16.78734384      8.81574709    -16.37357161
  H     17.29651035     10.68664104     -9.23921729
  H     12.46792116      7.43658491    -15.48970832
  O     11.64867042      5.30256372    -13.09494076
  H     16.98298700      9.15982958     -9.29962200
  H     18.79922675     12.51416798    -10.38459280
  O     17.76741511      6.98950922    -14.37612696
  H     12.85597602      4.17472124    -13.71361526
  H     18.06543648     11.39311465    -11.16213360
  O     12.33299334      7.23238385    -11.10658797
  H     13.47858104      2.77659104    -13.88471989
  H     13.96108866      8.89114426    -15.12115769
  O     11.55864775      7.18458556    -15.26226762
  H     15.89509846      7.29133738     -8.33893931
  H     15.03157480      8.24013652    -16.00787600
  O     17.98691917     12.01582216    -10.41782341
  H     15.78558772      8.66850779     -7.73010580
  H     15.16698289     12.85761579    -13.07959166
  O     14.17287419      8.07471922    -15.59897217
  H     16.40427984      7.10064501    -10.51758970
  H     14.86515771     13.73787431    -14.31268064
  O     15.07563661     12.84614354    -14.04896630
  H     17.90429219      7.41997124    -10.62257864
  H     18.45246927      9.34181133    -12.30975011
  O     17.93495828     10.15170671    -12.39355952
  H     12.22333113      8.52946462     -7.87277131
  H     17.00198094      9.89428092    -12.31301199
          69
 Energy    -248.26794004873483     
  O     13.18528995      9.79071969    -16.39701222
  H     13.02331847      9.64456764    -15.44663600
  H     16.54679316      4.27836039    -15.79299584
  O     16.42685700      5.58605906    -13.01290858
  H     12.40230157     10.20539141    -16.74841837
  H     19.51649336      7.15006234    -12.30008507
  O     19.30395733     10.15316036    -13.58797507
  H     16.30373150      4.82124568    -13.58522165
  H     21.00823192      7.36018394    -12.64196758
  O     19.95550966      9.73665383    -16.25287519
  H     16.44306266      6.35128025    -13.60981093
  H     18.41634415      9.62364751    -17.38510828
  O     13.56447697      5.34193501    -15.09289787
  H     18.33434048     10.19253012    -13.63966986
  H     16.93002338     10.03451944    -17.38827964
  O     16.58977593     10.27269459     -9.88075284
  H     19.55409044      9.25990229    -13.31267501
  H     17.38401415      7.43800188    -15.24932503
  O     14.62577275      6.88999545    -11.36781874
  H     19.75419496     10.00657141    -15.34181765
  H     15.83974868      7.51369953    -15.51586603
  O     16.58450595     10.12698264    -13.81922246
  H     20.73263098     10.22307274    -16.51631903
  H     13.39224333      9.59711143    -13.09564108
  O     17.55952423      5.19905771    -16.90274079
  H     14.30682084      4.72780469    -15.08843815
  H     12.56833650      8.36869923    -13.53228499
  O     16.47482097      7.42585640     -9.36734289
  H     13.79446958      6.01824214    -15.74617805
  H     12.78140250      6.07815360    -13.73440904
  O     19.20130412      7.07899962    -15.59107021
  H     16.69624025      9.35470729     -9.60534132
  H     11.50088594      6.16346559    -12.87025487
  O     15.99810072      3.80283910    -15.14416639
  H     17.45291347     10.56904904    -10.19932693
  H     17.87125310      6.80474845    -10.52096325
  O     20.12500449      7.52622802    -12.96114128
  H     13.75909188      6.76088134    -11.77247455
  H     17.75010527      6.00421998    -11.83366162
  O     17.57674125      9.45833915    -17.82459706
  H     15.24196500      6.37434702    -11.90891407
  H     19.35574269     12.07436287    -10.88452528
  O     16.52548698      7.61256601    -14.84298002
  H     15.95923127     10.12570274    -13.08462757
  H     19.21923040     10.90000264    -11.85832731
  O     12.79738802      9.27114919    -13.78383083
  H     16.54245464      9.23555425    -14.20033657
  H     16.50807722      7.16060598    -19.65497530
  O     12.36489595      6.54849826    -12.98933948
  H     17.19184085      5.77300648    -17.58573340
  H     16.92550117      7.99866862    -18.42192061
  O     18.38747911      6.43412317    -11.24521697
  H     18.26963681      5.70967684    -16.49182217
  H     15.28775868     10.05919588    -11.08101141
  O     19.05580656     11.16933392    -10.94391154
  H     15.74164055      7.22433433     -9.97201112
  H     14.70332221      8.75829793    -11.67447894
  O     16.49669287      7.16806979    -18.70203862
  H     16.22820896      7.07225187     -8.51579389
  H     16.05676010     10.84684837    -15.46967869
  O     14.72456178      9.71694106    -11.79192684
  H     19.51537085      7.90351828    -15.98264952
  H     14.86904091     10.67346478    -16.43173912
  O     15.78629749     10.96821772    -16.38964274
  H     19.54111896      7.07469038    -14.68636208
  H     14.03806965      8.20241272    -16.75881101
  O     14.49760690      7.35229742    -16.76105828
  H     16.10946088      2.87337922    -15.32483843
  H     15.06465735      7.30586372    -17.54108467
          69
 Energy    -248.26791103577676     
  O     19.20193950      8.89934357     -6.92221927
  H     19.70548116      8.29849723     -7.48927246
  H     15.57700653      9.46382352     -8.97683357
  O     17.65917487      7.77108378    -14.13018984
  H     18.62588933      8.33796574     -6.39132820
  H     20.66557810      6.67896126     -9.46884956
  O     15.61887228      9.57880736    -13.16930125
  H     17.61197333      7.30660101    -14.96310181
  H     20.03541466      6.22866210     -8.09869498
  O     20.06576175      8.40855349    -12.66845050
  H     17.33287193      7.15914794    -13.45043547
  H     16.46081315     12.48550521    -12.28505571
  O     16.68761551      6.31793697    -11.98673864
  H     15.06209342      8.97266361    -12.66234769
  H     16.19901893     10.96166053    -12.31334355
  O     18.90793975     10.30919033    -10.93837326
  H     16.29551026      9.04268151    -13.59838699
  H     12.92015778      5.30702158     -9.93272546
  O     19.29438217      5.08086362     -6.94201277
  H     19.32097038      8.25568635    -13.26144380
  H     11.72080475      5.43947770    -10.90233081
  O     15.22046716      2.58468127     -9.45070581
  H     19.81648940      9.16590620    -12.12175959
  H     15.58805446      7.07378288     -8.03387370
  O     21.03987560      6.26279421    -11.28426778
  H     15.81891541      6.73823139    -11.90138627
  H     16.30730626      5.67523968     -8.02830869
  O     17.99667156      7.79990251    -10.10381692
  H     17.23988223      6.74306181    -11.30961221
  H     13.66379733      7.06000742    -11.30110349
  O     17.56817464      6.96602166     -5.57646358
  H     19.02519873     10.63878085    -10.03713844
  H     14.66545749      8.03629614    -10.61880276
  O     15.54398583      8.50731832     -9.11679954
  H     18.17372790     10.81353691    -11.31335492
  H     18.94944522     10.38055380     -7.74136073
  O     20.23180555      6.98998794     -8.66695258
  H     18.62395534      4.66567081     -7.50289967
  H     19.30564728     11.88248615     -7.81375302
  O     16.60820747     11.67934480    -11.79795015
  H     18.80689393      5.64277362     -6.32762957
  H     16.67420617      3.63341516     -8.92452939
  O     12.66128855      5.57831810    -10.83211803
  H     15.17924631      1.64362833     -9.59692721
  H     17.87206049      4.37706265     -9.57561002
  O     15.73624077      6.26859334     -7.51668654
  H     15.12869754      3.01126202    -10.32151046
  H     14.20142486      5.26258400     -7.98024228
  O     14.36017826      7.70399573    -11.47739369
  H     20.72543028      7.03555542    -11.78557743
  H     14.04249859      3.87835484     -8.63679502
  O     18.83547754     11.19063524     -8.27100898
  H     21.90364249      6.04741916    -11.62650706
  H     16.95687766     11.25997746     -8.65883422
  O     17.31963254      4.33549916     -8.78142940
  H     18.29611475      8.64857373    -10.45660070
  H     16.13855994     11.44841351     -9.94467045
  O     13.56635769      4.69336530     -8.43394485
  H     18.70507312      7.46053596     -9.54259779
  H     18.10366759      5.01389329    -11.64940611
  O     16.06170971     11.19696453     -9.01576263
  H     17.19391226      6.94157376     -4.69935103
  H     19.57574840      5.06491519    -11.19880318
  O     18.76421273      4.54609148    -11.12672432
  H     16.85052437      6.73858862     -6.19058917
  H     15.57737059      4.70165173    -11.86996690
  O     14.89337675      4.03624115    -11.73758062
  H     16.43343158      8.25152875     -9.40729340
  H     14.07706112      4.52487359    -11.56692462
          69
 Energy    -248.26771709776943     
  O     13.47180847     12.90108353    -12.92021641
  H     14.13040489     12.71242363    -13.60837002
  H     16.20583094      5.77674330    -13.42323934
  O     19.07362590      9.55658371    -14.25591471
  H     13.32992503     13.84470334    -12.92651436
  H     12.24661673      9.56444542    -16.60938743
  O     16.50723336     10.39072882    -12.13195070
  H     18.62580067      9.29456133    -15.07555653
  H     11.93472921     10.69688440    -15.60380555
  O     11.51176508     11.01108853    -13.87448022
  H     18.79856104     10.46291329    -14.09032839
  H     16.16822145      9.17455080    -15.15293044
  O     13.46927356      7.66985454    -14.03711259
  H     16.17780178      9.96626423    -12.94177741
  H     14.79559263      8.85790558    -14.45926758
  O     14.94116045      6.29894743    -12.10997131
  H     17.09355263     11.09283181    -12.43201726
  H     13.45243903     11.57980405    -17.11885067
  O     18.96783100      7.29045012    -12.75262925
  H     11.54949174     10.30875952    -13.21406085
  H     13.79472729     12.72522375    -18.10296370
  O     15.30885659     12.19435663    -14.89470933
  H     12.08213431     11.71342217    -13.54037796
  H     14.45271322      9.50057871     -9.66983595
  O     16.66742970      6.12258030    -16.75183704
  H     14.01770287      7.08695191    -13.49626837
  H     15.52430353      8.38411060     -9.67361653
  O     16.90237887      7.95384464    -10.95578847
  H     12.95446310      8.19889905    -13.41107746
  H     17.07646486      9.32240810    -17.06230659
  O     16.00432129     10.08865255    -18.21088516
  H     14.20106964      6.28231355    -11.49159419
  H     17.31992069      7.86332907    -16.56792211
  O     16.91576102      5.78748450    -14.07606568
  H     15.61117770      6.86983962    -11.70566400
  H     17.03657032     12.31478237    -14.23984821
  O     12.27271977     10.51982501    -16.49375817
  H     19.86036428      6.97243964    -12.64378534
  H     18.34308763     13.04500828    -13.86302341
  O     15.52373321      9.48724756    -14.50454887
  H     19.02936290      8.12200323    -13.25582161
  H     14.95455851     10.73598789    -11.33617392
  O     14.16300962     12.18166209    -17.41233195
  H     15.30321616     11.23071084    -14.77900025
  H     13.75672575     11.67732045    -11.47054404
  O     14.66966096      8.63583967     -9.29949396
  H     14.97743026     12.35119649    -15.78871663
  H     15.26417543      7.05729687    -17.69284409
  O     17.48738713      8.79047850    -16.36180777
  H     17.09852727      5.39027946    -17.18535385
  H     13.82765894      7.61521062    -17.66066635
  O     17.87925635     12.21689975    -13.76762520
  H     16.71307120      5.94488177    -15.79596764
  H     12.84921792      9.66211965    -11.60619955
  O     14.06218730     10.89669280    -10.99335286
  H     17.68722885      7.61027949    -11.40006052
  H     12.23839445      8.26045948    -11.37415050
  O     14.66078941      7.65932484    -18.14494726
  H     16.80998299      8.85802705    -11.29316359
  H     13.47707195      7.45472929     -9.79332031
  O     12.21950578      9.02077044    -11.96744916
  H     15.46035080      9.28985368    -18.30168328
  H     12.40371932      6.36544508     -9.54995724
  O     12.85669782      6.84722659    -10.23657900
  H     15.40268056     10.81068567    -18.00509845
  H     12.71088186      7.58100155    -15.63633657
  O     12.32727662      7.65333284    -16.52629541
  H     17.65147328      6.25661252    -13.66319590
  H     11.55915833      7.08785291    -16.54237085
          69
 Energy    -248.26766590706890     
  O     15.40919272     12.49308691    -16.66437774
  H     15.21264587     13.41652444    -16.79413961
  H     15.42493562      4.66457788    -14.66633890
  O     15.45114493      5.80327374    -13.17913894
  H     14.72542398     12.15477050    -16.06183546
  H     19.91315199      6.17916258    -13.99896079
  O     18.97016133      8.87423497    -12.37755999
  H     16.21050633      5.91541845    -12.58938840
  H     18.91626280      5.59154139    -12.97446989
  O     18.05327358      6.11808763    -17.15147122
  H     14.84270752      6.53636841    -13.00743505
  H     17.35685645      6.96765532    -15.58449735
  O     15.34392849      5.58662858    -17.87111265
  H     18.40173990      9.43167864    -12.92827122
  H     16.38346705      6.79415897    -14.37051573
  O     15.69045019     10.77161899     -9.95210091
  H     19.66118161      8.55956359    -12.97356832
  H     14.03419751     11.27567141    -14.05652982
  O     13.87921024      8.09515676    -12.84067703
  H     18.29408882      5.27792539    -16.73905324
  H     13.16217431     10.58034758    -15.10705500
  O     17.25640485     10.00837715    -14.20367259
  H     17.19419428      5.97736336    -17.56877784
  H     15.96580201      7.27237579     -9.45956938
  O     18.42332292      3.78444376    -15.62693162
  H     14.98439362      5.00889099    -18.53850636
  H     16.66601643      6.42356499     -8.36988303
  O     14.55950258      8.12861179    -10.04577533
  H     15.34227073      5.08668963    -17.03377282
  H     13.46008472      8.53089839    -15.95823425
  O     19.32007656      8.59992975    -16.75605963
  H     15.63656252     11.46952171     -9.30515347
  H     11.92012144      8.44655582    -15.85499261
  O     15.59986063      4.24981157    -15.52155630
  H     16.57487082     10.37305261     -9.86618548
  H     21.53944544      8.03262205    -14.60054241
  O     19.47202315      5.36379574    -13.73114280
  H     14.32208981      8.95300565    -12.75475721
  H     20.15414522      8.20067462    -15.25995772
  O     16.81657697      7.44042692    -14.94094732
  H     13.32540029      8.18141252    -13.62521451
  H     17.51398988      6.43885625    -10.81390803
  O     13.58883515     11.41948164    -14.90303231
  H     17.13768268      9.05704789    -14.36445062
  H     18.11932036      7.26574148    -11.97596641
  O     16.82260314      6.90247512     -9.17880511
  H     17.24871039     10.39196117    -15.08707482
  H     17.77548601      8.56779568     -9.46242089
  O     12.70312430      8.70045861    -15.37275541
  H     18.91937301      2.97399187    -15.70012888
  H     18.49964885      9.30369251    -10.61432172
  O     20.60701830      7.89325261    -14.45492921
  H     18.82849872      4.29800560    -14.90380609
  H     16.52423803     11.14031199    -17.00529803
  O     17.76784527      6.39437538    -11.74423918
  H     14.17379685      8.02011580    -10.92299619
  H     16.29843861      9.62528416    -17.12613336
  O     18.04459068      9.44124507     -9.77262887
  H     14.79106931      9.06301909     -9.96626231
  H     15.88115359     10.48114757    -13.17192194
  O     16.98850909     10.28900903    -17.00900855
  H     18.97246207      7.75778597    -17.07987637
  H     15.29635183     10.78810547    -11.75195251
  O     15.06217919     10.60377219    -12.66889020
  H     18.62439537      9.25262719    -16.90319438
  H     15.56690660      7.99571516    -16.09741217
  O     14.97586590      8.17717809    -16.84480056
  H     16.52375599      3.96913011    -15.49951212
  H     14.98132856      7.36444781    -17.36571428
          69
 Energy    -248.26758415390543     
  O     16.99325078     10.47127839    -17.09504522
  H     16.34672854     10.95482639    -16.57193971
  H     18.55471923      6.08166971    -12.41607853
  O     15.88167075      5.71804863    -13.86150292
  H     17.29661610      9.74935727    -16.51860153
  H     22.16986947     10.19816769    -16.60626703
  O     17.31028013     14.00075926    -12.16959940
  H     15.44432307      6.57474934    -13.89872478
  H     20.67795864     10.60163857    -16.51416131
  O     20.17317300      8.76987816    -14.07012676
  H     16.48566480      5.76622146    -13.10917617
  H     18.57419379      8.49901725    -14.95441898
  O     15.66504802      7.11390934    -18.13214325
  H     17.71703403     13.58964296    -12.94566752
  H     17.64949396      7.53272697    -15.76914485
  O     15.83403287     11.09109388    -10.55812576
  H     16.37295255     13.78153341    -12.23573929
  H     16.13791134      8.72036525    -12.58149168
  O     15.29949795      8.62323078    -14.20123089
  H     19.92429925      9.41759503    -13.39704442
  H     17.10213304      7.85766841    -11.72256078
  O     18.21260622     12.25855787    -14.17191181
  H     20.66543712      9.21091584    -14.77348129
  H     12.92968264      7.83245908    -16.68098362
  O     19.85419100      6.08103603    -13.55415498
  H     16.16552547      6.52080393    -17.55208283
  H     14.41964267      7.77624859    -17.05893269
  O     19.97184700      5.27580528    -16.29748732
  H     16.32939543      7.63078166    -18.59899954
  H     18.04452794     13.05372384    -10.88238191
  O     17.21999544      5.80090579    -16.26272787
  H     16.06472870     10.20790553    -10.87503072
  H     18.80851742     12.86270932     -9.54960088
  O     17.79720871      6.13846837    -11.80577926
  H     16.66624601     11.49820340    -10.28796130
  H     18.93054267     11.04965705    -11.46733595
  O     21.30308600      9.86438168    -16.39143681
  H     14.66276777      8.45907070    -14.91495647
  H     18.20182931      9.82804525    -12.07964272
  O     17.72915431      8.42783337    -15.41295581
  H     16.18536615      8.53558617    -14.59176950
  H     15.04662211     12.13686599    -11.72801567
  O     16.74623323      8.74904804    -11.83000782
  H     18.52045625     11.61492751    -13.51984736
  H     13.86233569     13.05391592    -12.11477731
  O     13.79613447      8.09876576    -16.38596573
  H     17.32463604     11.97425540    -14.43127149
  H     20.52610987      8.36994769    -17.30328627
  O     18.38568986     12.38713727    -10.25910579
  H     19.93783407      5.68857707    -14.43027447
  H     19.33688012      7.96022505    -18.20199337
  O     18.96143134     10.41780120    -12.19624791
  H     20.09673429      7.01199434    -13.66567068
  H     15.19663989     11.94873574    -14.02888330
  O     14.72003350     12.75565142    -12.40584919
  H     20.49826943      4.61524007    -16.73960952
  H     15.38845319     10.50287777    -14.52781697
  O     20.07985665      7.61023845    -17.69642713
  H     20.05674478      6.09545455    -16.81768267
  H     18.63810921     11.42199329    -16.99046524
  O     15.58497377     11.42365836    -14.74135460
  H     16.77569967      5.60253922    -15.42467885
  H     19.17051791     12.11590017    -15.74628884
  O     19.44552287     11.79673887    -16.61741695
  H     18.10698677      5.42432091    -16.24806546
  H     17.86496009      9.19329877    -19.96305063
  O     17.82151083      8.79251233    -19.09779715
  H     17.99022634      5.55931214    -11.07330951
  H     17.46952623      9.47008157    -18.49630722
          69
 Energy    -248.26746548435671     
  O      6.28881363     -4.73306731     -0.36135240
  H      5.99619249     -5.01350507      0.51559143
  H      1.41236331     -1.91842443      3.74523354
  O      2.76754288     -4.92977645      2.00116543
  H      5.49098144     -4.47557016     -0.84112899
  H      5.10449185     -1.17020450     -0.05305506
  O      3.92525517     -3.63858201     -1.44386550
  H      2.35631133     -4.21755134      2.50848461
  H      4.31043192     -1.57409330      1.23147205
  O      8.11093807     -2.80972960      0.13380357
  H      2.33183006     -4.92713902      1.14160099
  H      2.52441860      0.62644824      3.89412987
  O      4.78859110      2.94402786      2.02141480
  H      4.02804206     -2.93804392     -0.78042645
  H      2.66781758      1.16989762      2.47005138
  O      5.14117880     -1.54359297     -2.97132951
  H      3.05838161     -4.02482977     -1.27892609
  H      4.48242339     -5.13401521      2.20682280
  O      4.24477293      2.50162540     -1.67308032
  H      8.99200921     -3.14080299     -0.01711690
  H      5.57986398     -6.03781643      2.80747828
  O      4.35785716     -1.56316667      3.00945265
  H      7.49615075     -3.52856625     -0.10378984
  H      0.97637036     -1.53317181      0.12267462
  O      2.03226910     -0.35842826     -0.77819638
  H      5.41162025      2.49021162      1.43936333
  H      0.98930616     -2.26887043      1.50687256
  O      3.16295115      0.53045752     -3.18271421
  H      4.38774277      2.27575996      2.59158128
  H      6.60689530      0.96940843     -0.30727638
  O      1.56326077      1.63469968      1.06419743
  H      4.45429602     -0.88495805     -3.13299860
  H      7.34606977      2.31258454     -0.13102885
  O      1.82702658     -2.53808674      3.13536820
  H      4.69067729     -2.33708459     -2.65386810
  H      0.11535437      0.76209300      1.81525453
  O      4.25484335     -1.49331212      0.27182982
  H      5.05253276      2.31228407     -1.18055936
  H     -0.42074449     -0.67334355      1.67593032
  O      3.17786024      0.95644452      3.26605088
  H      3.72472948      3.07895535     -1.10141614
  H      0.97458343     -3.71779761     -0.13681777
  O      5.44537320     -5.24339315      2.29699119
  H      4.22592196     -0.62093875      3.17324317
  H      0.67008505     -5.05910469     -0.83851338
  O      0.50570555     -2.17793014      0.67174024
  H      5.29244960     -1.80986057      3.05534013
  H      0.36731052     -0.09943815      5.34171659
  O      6.49720713      1.89085509     -0.01760485
  H      2.84130894     -0.73285982     -0.39320569
  H      0.32411449     -0.08702869      3.79544988
  O     -0.46221942      0.10883791      2.23699556
  H      2.25837814     -0.09530256     -1.67726605
  H      7.25105178     -1.37675882     -0.56860843
  O      1.38145003     -4.52459371     -0.49452103
  H      3.56893225      1.26606513     -2.68851031
  H      6.24899459     -0.96274447     -1.70696394
  O      0.89737089     -0.25612316      4.56501788
  H      2.85032279      0.89220964     -4.00760083
  H      6.36441775     -3.61646568      2.65769449
  O      6.66500995     -0.67429780     -0.87889660
  H      1.88934431      2.49604068      0.77996700
  H      7.32607510     -2.66773690      1.92694734
  O      6.78594728     -2.74771561      2.72063124
  H      1.73628508      1.00648762      0.34763906
  H      2.76172715      4.92243073      0.51194092
  O      2.92202648      3.99511166      0.36139529
  H      2.76062468     -2.27343938      3.10468473
  H      3.60709246      3.71821596      0.99784937
          69
 Energy    -248.26737183231214     
  O     16.01444368     11.41408602    -17.00791843
  H     15.67460433     10.71148996    -17.55535398
  H     18.64657111     12.79014006    -17.77124838
  O     19.61630405     17.40948835    -14.46163541
  H     16.96388461     11.48952473    -17.21013781
  H     13.51263847     14.52934009    -10.90233425
  O     20.77102615     11.81496634    -15.67847503
  H     18.66309640     17.24200831    -14.43929984
  H     14.02465284     14.53803901    -12.36414849
  O     16.69839955     15.85144209    -11.73838124
  H     19.83148425     17.93071979    -13.67723792
  H     20.75771956     16.01785071    -13.93236167
  O     14.72194829     16.36871424    -16.11361841
  H     21.39268327     11.10999791    -15.51036107
  H     21.80929191     15.03448045    -14.51133988
  O     16.03957538     12.15252436    -11.84464619
  H     20.46895718     12.12779827    -14.80991353
  H     17.81045933     14.40894942    -11.43411815
  O     13.79075088     14.59893434    -14.06996683
  H     16.70254619     16.18286610    -12.64574409
  H     18.96411639     14.01658743    -10.49056999
  O     22.04515789     14.39830880    -16.17684322
  H     15.83623940     15.44784019    -11.57577436
  H     15.72478014     11.95922257    -15.23647900
  O     18.48416974     17.29071221    -10.16395239
  H     15.00987913     15.62769614    -16.67668917
  H     15.80571531     12.20159656    -13.65633948
  O     19.93750956     13.03624998    -13.35315896
  H     14.20115550     16.94428615    -16.66728803
  H     20.75630439     17.33915337    -17.51721490
  O     15.65013370     14.30143947    -17.62468507
  H     16.88645237     12.48308981    -11.52020190
  H     20.11887477     16.97522919    -16.16047832
  O     18.64065838     11.84573880    -17.56325178
  H     15.39156448     12.82179440    -11.58931870
  H     21.31834043     15.93799297    -10.55321339
  O     14.29973007     14.44602083    -11.43319648
  H     13.97344335     15.28307861    -14.72230276
  H     21.82747562     15.98196912    -12.01480747
  O     21.40146933     15.34001402    -13.68785189
  H     14.36444580     13.85434516    -14.30783441
  H     20.91233516     17.89402488    -11.67889955
  O     18.37798186     13.66852128    -11.17360470
  H     21.47405763     15.03181537    -16.62768372
  H     20.70896641     19.42470786    -11.78254416
  O     15.64554877     12.60295694    -14.52299236
  H     21.60224926     13.54210162    -16.20852972
  H     20.09741243     15.12090814     -8.44068657
  O     20.36007652     16.61972565    -17.03099910
  H     18.98261902     17.83593401    -10.78302117
  H     19.43572153     15.94904223     -9.56912285
  O     21.80869327     16.47850970    -11.18392519
  H     17.77289945     16.87807620    -10.67515375
  H     17.09281619     13.58881972    -14.77793030
  O     20.31031277     18.58758095    -12.00598004
  H     19.41448566     13.11430593    -12.54391622
  H     18.59498514     13.73152373    -14.36813046
  O     19.98239813     15.16246089     -9.38645985
  H     20.50945804     13.81811660    -13.38959807
  H     19.04959373     15.36601198    -17.54483434
  O     17.89100034     14.12405593    -14.89619345
  H     15.60577124     13.35685767    -17.44413892
  H     18.25524129     14.42645173    -16.61411307
  O     18.42127089     14.63667693    -17.54833229
  H     16.58615731     14.49341019    -17.77884799
  H     17.30978641     15.72601094    -14.57433373
  O     16.96261300     16.61954143    -14.41281315
  H     19.36426165     11.72009362    -16.93749302
  H     16.18496673     16.70519632    -14.97619770
          69
 Energy    -248.26692017282193     
  O     15.72267081      9.03682292    -17.66438776
  H     15.09180370      8.58415870    -17.07815649
  H     16.09058333     12.32812825    -17.07509109
  O     15.19839164      8.94415536    -11.52022409
  H     15.66792435      8.59880735    -18.51072475
  H     12.28013605     12.78811034    -17.33632359
  O     17.80676017     14.79447146    -14.04892236
  H     15.59180133      8.58702399    -12.32873079
  H     13.71106275     12.32879976    -16.95564994
  O     14.03048163      7.92919699    -15.82886320
  H     15.69125828      9.73766473    -11.27253374
  H     18.38451636     13.31140929    -12.83538700
  O     14.06328125      6.49505140    -10.75395694
  H     16.99090059     14.91475201    -13.53036466
  H     18.59076912     11.84185608    -13.18052535
  O     15.20480797      5.12121703    -12.79591151
  H     18.33041001     15.57989190    -13.90988394
  H     12.91776653     12.91220241    -12.57447143
  O     15.54320612     11.40856923    -13.86004466
  H     13.55304362      7.20175345    -15.40392986
  H     12.59528016     11.61353934    -11.79286446
  O     12.63019994      9.74568405    -12.23638912
  H     13.63286098      8.75727941    -15.52084247
  H     17.36692714      8.13529205    -15.08156439
  O     16.04153231      7.59917980    -13.85732263
  H     14.50747069      7.35188433    -10.82964334
  H     17.21784091      8.66397008    -16.52312481
  O     18.16182917     11.04933551    -14.79115291
  H     13.15276581      6.64883722    -11.03469616
  H     13.63114237      5.55602073    -13.83610032
  O     13.21601681     10.34577977    -14.86406532
  H     15.59310450      4.29108562    -12.53475638
  H     12.35646929      6.36611000    -13.54403027
  O     15.31160213     11.86995278    -17.41010121
  H     14.83086951      5.52465553    -11.99168406
  H     13.98672543     13.23339723    -10.68897624
  O     12.82563709     12.53050777    -16.59907603
  H     15.70215306     11.41821886    -12.90704028
  H     14.51650143     13.89460204     -9.39265820
  O     18.56115772     12.45547990    -12.43133028
  H     16.40347956     11.25389674    -14.26849266
  H     17.19091574     11.78299711    -11.48667233
  O     12.73650902     12.56226490    -11.69224824
  H     12.69718910      9.93597947    -13.18339166
  H     15.87058963     12.15989430    -10.74435525
  O     17.85428471      8.55038532    -15.80684482
  H     13.51936269      9.50026807    -11.93754201
  H     13.36013440     13.40240263    -14.99560878
  O     12.88792195      6.00103213    -14.26219363
  H     15.35285652      7.74024671    -14.52161174
  H     14.48216384     12.87756436    -14.07723101
  O     14.78388752     13.58944191    -10.25520073
  H     15.91025398      6.70189833    -13.52395886
  H     11.84285434      8.14753954    -12.06297480
  O     16.34210271     11.43531974    -11.17262241
  H     18.17351316     10.16533863    -15.18567305
  H     10.67295427      7.21012317    -11.69032444
  O     13.79368873     13.55752845    -14.14965140
  H     18.14074848     11.70549174    -15.49655403
  H     15.37748197     14.66699212    -11.74178590
  O     11.57532900      7.21544012    -11.99935294
  H     14.07835579     10.64960204    -14.53552200
  H     14.84200049     14.71199571    -13.18401378
  O     15.54411478     15.05094213    -12.61024420
  H     12.89734329     11.02950424    -15.46400229
  H     18.15117384     13.75607178    -17.05224042
  O     17.61875012     13.29528570    -16.40734594
  H     15.53371409     10.93450044    -17.49505376
  H     17.63722287     13.83424004    -15.59980284
          69
 Energy    -248.26687094354446     
  O     11.49787880      7.61422887     -8.87889857
  H     11.19921139      8.35296470     -9.43654912
  H     12.74516844     12.62018690    -13.01579684
  O     13.24882225      6.83967800    -11.02987047
  H     10.71414870      7.15557607     -8.58614751
  H     16.94633625     11.86697034    -10.38173372
  O     14.57631608     10.12525733    -14.24496147
  H     14.08788038      7.27505721    -10.82117240
  H     17.08058449     11.12495880    -11.74151873
  O     12.11213849     11.79214244     -6.90490707
  H     12.68328278      6.96682658    -10.25990165
  H     17.57820902      9.13292627    -13.39445593
  O     12.64135528     11.41459206    -15.73580917
  H     14.03545169     10.55883616    -14.92082157
  H     16.15187565      9.72099373    -13.44520185
  O     12.79247183      8.22505979    -13.33272793
  H     14.03295102      9.40448961    -13.89286436
  H     10.19080611     14.74319417    -10.93749474
  O     15.91947383      9.27867307     -7.97560569
  H     12.11572270     12.19993417     -6.04239700
  H     10.65079043     13.39950571    -10.32252345
  O     13.59679160     10.67794729    -10.45132199
  H     12.89356395     12.13046827     -7.37786634
  H     15.99233682      8.76671595    -11.36479185
  O     13.25734078      9.15451709     -7.20452624
  H     11.91910262     10.81378498    -15.95679903
  H     14.77489363      9.26693571    -10.54562248
  O     13.64552064     14.26369913    -10.52312764
  H     12.28142844     12.00883152    -15.06607021
  H     10.41362977      9.89029405    -14.10823911
  O     10.98809573      9.77602120    -10.46997518
  H     12.05910109      8.83507622    -13.18023324
  H     11.04400075     10.97425931    -13.20184468
  O     11.80487544     12.62664467    -13.24006671
  H     12.91609667      7.69060360    -12.53474895
  H     14.05323573     13.26502132     -9.10233313
  O     16.88472994     11.97945002    -11.33842038
  H     15.02598537      9.21156103     -7.60763529
  H     15.15379669     12.39848708     -8.39392510
  O     16.89378710      9.51746066    -12.85203781
  H     15.87914999      8.85232259     -8.84148942
  H     15.38472214     12.35088208    -12.13018880
  O     10.84585825     14.05491749    -11.01640555
  H     13.85921527     11.23222027    -11.19611504
  H     14.54669641     11.62329951    -13.21210834
  O     15.41523017      8.54307955    -10.62635183
  H     13.76796788     11.20073526     -9.65760156
  H     10.91448050      8.69847183    -15.99642074
  O     10.67164659     10.07973391    -13.19831000
  H     12.77040911      9.97054675     -7.04451693
  H      9.75471393      9.50252072    -16.63107834
  O     14.20679197     12.57894907     -8.43490508
  H     12.66974759      8.57969856     -7.70902649
  H     16.58346110     10.82335061     -8.25951701
  O     14.51137000     12.33366991    -12.55569756
  H     12.69151025     14.30164473    -10.67173313
  H     17.61384473     11.93388100     -7.93103630
  O     10.44641796      9.55159373    -15.97671582
  H     14.01529831     13.83579397    -11.30238815
  H     10.45227318     11.30519722     -9.56780337
  O     16.87394917     11.72475577     -8.49434405
  H     11.91415229     10.06841764    -10.46534662
  H     10.88114925     12.07982829     -8.30846978
  O     10.39224976     12.16752268     -9.13550974
  H     10.69128539      9.81018580    -11.38806666
  H     12.16191698      6.36908456    -15.94971973
  O     11.88601346      7.25788929    -15.74405115
  H     11.37465363     13.16163568    -12.56066063
  H     12.28248079      7.47372091    -14.88369908
          69
 Ord_Energy   -248.266617    
 O   -1.99840856       2.04973793       1.70060825    
 H   -1.68229759       1.14001107       1.78486168    
 H   -2.53451371       2.22779298       2.48291397    
 O   -3.97500086       2.18017364     -0.313187927    
 H   -3.53018951       2.46410441      -1.12193751    
 H   -3.28685522       2.12911844      0.364673167    
 O   -1.08153236      -2.46767187      -3.52794766    
 H  -0.347393662      -2.59168172      -2.91434455    
 H   -1.78925514      -3.03691459      -3.19839454    
 O   -6.57781553      -3.43885779      0.977811038    
 H   -7.41942978      -3.88644814      0.996698260    
 H   -6.34398127      -3.31411219       3.91854793E-02
 O  -0.198845893      -2.89043427       3.07794738    
 H   0.582666218      -3.08626842       3.58739400    
 H  -0.117444269      -3.37469172       2.23517251    
 O   -4.98015499     -0.390249193     -0.678624213    
 H   -4.62783384      0.507871985     -0.714467704    
 H   -5.41726875     -0.478397429      0.180891871    
 O   -3.67708707     -0.592304289       3.46130157    
 H   -2.88832569     -0.616018772       2.90495777    
 H   -3.76537609      0.323410660       3.75527596    
 O   -5.72881985      -2.95286655      -1.54702544    
 H   -4.90586662      -3.35111284      -1.85640192    
 H   -5.55726576      -2.00260806      -1.48533320    
 O   -3.94306898      -4.22129679       1.50885272    
 H   -4.88976192      -4.05338955       1.43202043    
 H   -3.65159798      -3.97771645       2.40091252    
 O   -1.67181695       6.15401492E-02  -2.54103112    
 H   -1.55759692     -0.754771113      -3.04465127    
 H   -1.05877388      -1.00868996E-02  -1.80054569    
 O   -6.01164913     -0.788856983       1.87441754    
 H   -6.29864931      -1.69474959       1.70827866    
 H   -5.23685026     -0.829104364       2.45268798    
 O   -3.03291726      -3.81808138      -2.00631928    
 H   -2.77642584      -4.62050438      -1.53674352    
 H   -2.84251475      -3.09533477      -1.38951540    
 O   -2.88348532      -1.99262309      0.128974020    
 H   -3.58396316      -1.41500258     -0.208008677    
 H   -3.29324436      -2.72664571      0.607197046    
 O  -0.259743690       2.61143565     -0.496277720    
 H  -0.878882945       2.78397155      -1.21632802    
 H  -0.786955059       2.63130069      0.313044369    
 O   -4.20621485E-02  -4.11299086      0.685267091    
 H   0.293325335      -3.64296460      -8.82334709E-02
 H  -0.733817220      -4.70927238      0.376240671    
 O   -3.90185237       2.19981670       3.80404615    
 H   -4.10252047       2.82443905       4.49525642    
 H   -4.63606501       2.23776221       3.16357183    
 O   -5.79311132       2.06739402       1.87475264    
 H   -6.08905315       1.14825761       1.86548269    
 H   -5.33521318       2.21550131       1.03619456    
 O   -2.93526268      -3.29316258       3.85922265    
 H   -1.98315203      -3.21893024       3.71635270    
 H   -3.26590037      -2.38971019       3.94705367    
 O   -2.33182764       2.66014242      -2.51730990    
 H   -2.36026382       3.04014277      -3.39053822    
 H   -2.13536167       1.71024573      -2.62770391    
 O   -1.30118978     -0.675297439       1.83188629    
 H   -1.83108819      -1.14566493       1.16354108    
 H  -0.827359557      -1.34296596       2.34493780    
 O   0.970817447      -2.54124117      -1.46509147    
 H    1.87783027      -2.56949019      -1.76220906    
 H   0.816183805      -1.63836241      -1.14006150    
 O   0.311338454      -7.47393593E-02 -0.440497041    
 H   0.292177558      0.891637146     -0.513719618    
 H  -0.125860214     -0.289163053      0.391502976    
 O   -2.28659821      -5.73465109      -5.08084483E-02
 H   -2.40037131      -6.67166948       8.55142698E-02
 H   -2.91434932      -5.28469944      0.541670620    
          69
 Energy    -248.26645561540678     
  O     20.44356870     11.66929892    -18.71298747
  H     20.97215747     11.27252371    -19.40037850
  H     20.27020025     17.98355423    -16.30976509
  O     16.21165174     17.62493127    -14.53775767
  H     20.95150152     12.42722249    -18.37264596
  H     14.39778090      9.78941783    -14.51674934
  O     22.11830531     14.46968191    -14.91044872
  H     16.42484271     17.52855314    -15.48220020
  H     15.80185235     10.20989847    -14.01332048
  O     15.36886584     13.19234122    -14.05833611
  H     15.76452731     18.46363254    -14.45090713
  H     21.41753306     16.31381923    -14.96207007
  O     16.68266032     11.35292110    -16.79474348
  H     21.45334780     13.81525628    -14.63927645
  H     20.28858380     17.12362942    -14.28947803
  O     17.16142362     10.03350616    -12.96850134
  H     22.90184345     14.28683072    -14.39644124
  H     17.02117046     12.92946198    -13.21572131
  O     21.72836733     13.82159937    -17.70263598
  H     15.54930913     13.56820488    -14.93343161
  H     17.89721190     13.54373225    -12.10683497
  O     19.72630571     15.69508125    -17.96430610
  H     15.10101740     12.27675567    -14.20031291
  H     19.37652213      9.46249077    -15.07970574
  O     15.40306863     15.60763310    -12.66074160
  H     16.53085602     12.30552416    -16.71025866
  H     19.77920132      8.07733782    -14.54740947
  O     20.05943281     12.70112734    -14.38411786
  H     16.09091934     10.92879471    -16.16225004
  H     18.45376337     16.26607906    -12.66218245
  O     17.67417587     12.40351391    -19.29180043
  H     17.49011120     10.89933706    -12.69950601
  H     17.84652241     17.15864126    -13.77942858
  O     19.79354040     18.33108771    -17.08502815
  H     17.91114093      9.55921005    -13.35609244
  H     17.91618108     17.83268157    -17.17664240
  O     15.08546467     10.43838048    -14.63437631
  H     22.00253638     14.01136258    -16.79934537
  H     16.92555787     16.81887247    -17.80045095
  O     21.01057462     17.18726087    -14.93066132
  H     21.10391486     14.52545489    -17.93372558
  H     16.81539415     15.38900526    -11.68383692
  O     17.84203322     12.80080232    -12.71919208
  H     19.87347522     16.64158146    -17.85056187
  H     17.60973113     15.42608169    -10.35264791
  O     19.27803537      8.85825251    -14.32739362
  H     19.38014142     15.37829991    -17.11415859
  H     19.79108331     11.01131526    -17.12912698
  O     18.66489056     16.74340429    -13.47399308
  H     15.22425312     14.76704200    -13.10513701
  H     18.40028309     10.96328873    -16.44361664
  O     17.00781198     17.50789623    -17.13253721
  H     15.54724049     16.26101779    -13.35617240
  H     18.70744025     15.49659355    -14.82863266
  O     17.69331925     15.24102148    -11.28399206
  H     19.88731226     11.99987831    -15.02798914
  H     19.17426569     14.05685690    -15.17926911
  O     19.34603912     10.81282743    -16.29605929
  H     19.35662257     12.66495441    -13.71970869
  H     18.08002154     15.37142091    -18.72659600
  O     18.70229957     14.82574533    -15.52237415
  H     18.61374762     12.20782903    -19.19530235
  H     17.22159941     14.20940816    -19.21127633
  O     17.16105209     15.12867583    -18.91043716
  H     17.23769453     11.88028612    -18.60909064
  H     16.31850968     14.45309781    -17.37529536
  O     16.26662349     14.09960977    -16.47965504
  H     20.21355153     19.15380777    -17.32039675
  H     17.10473034     14.36748474    -16.07032132
          69
 Energy    -248.26644274951923     
  O     17.03792365     11.67324489    -11.00945130
  H     16.58115751     11.74879022    -11.85592926
  H     18.09170177      6.01639336    -14.37513344
  O     13.15289904     12.78270630    -11.78145691
  H     17.91354293     11.31010213    -11.18582769
  H     19.37669847      8.88496518    -10.42611954
  O     13.20844086      9.18750546     -9.23556849
  H     13.94438528     12.56754098    -12.28888703
  H     18.38342204      8.22194386     -9.44556903
  O     14.41746819      6.87491161     -8.19089326
  H     13.43370644     12.97784504    -10.87973439
  H     12.70956978     12.54662440     -8.83506509
  O     11.41369838     11.34476831     -8.91409113
  H     13.51670908      8.38130181     -8.80573526
  H     13.38190741     13.86648325     -8.38425842
  O     10.82504797     11.41383085    -11.73584339
  H     13.95875091      9.79979644     -9.24815565
  H     11.46865336      9.68695994    -11.77812231
  O     16.36674858      5.17542753    -14.58188815
  H     14.28794640      6.29371919     -8.96260172
  H     12.43296188      8.94252769    -10.81609331
  O     15.37329652     11.84232089    -13.31384064
  H     14.24841169      6.34753385     -7.41522429
  H     17.43545191      8.74671420    -12.82069228
  O     16.15328290      8.07173874    -11.63842400
  H     11.91454148     10.51792470     -8.87763140
  H     18.48439731      8.21109425    -13.80576378
  O     16.47845179      5.27068945    -11.78766457
  H     11.03567844     11.37876357     -9.80141761
  H     19.89886192      5.19966502    -10.98296201
  O     16.63104509      8.50769736     -8.88096713
  H     10.15378837     11.89091829    -12.21539842
  H     19.21683428      6.57777504    -10.83832373
  O     18.91079884      6.45964190    -14.12187764
  H     11.64911942     11.92951949    -11.81606937
  H     14.28947393      7.70566897    -14.20506227
  O     19.19579778      8.06772582     -9.94603107
  H     15.59227867      5.76579114    -14.59606155
  H     13.49753689      6.46361920    -13.79079118
  O     13.51004916     13.09317440     -8.92677901
  H     16.22328940      4.51952597    -15.25877610
  H     11.35254925      5.84017917    -12.50044385
  O     11.99191881      8.88214673    -11.67794066
  H     15.75672599     12.00426526    -14.17230167
  H     12.05699245      7.16877331    -12.14774760
  O     18.13523332      9.02877762    -13.42460730
  H     15.00748007     10.94144837    -13.34264798
  H     13.43336793      5.60687231    -11.06392071
  O     19.19212581      5.73740623    -11.32993037
  H     16.20365588      7.11119177    -11.71800093
  H     14.91394519      5.20981521    -10.85136665
  O     14.18418060      6.76587303    -14.39770971
  H     16.33787188      8.28775717    -10.71704269
  H     19.09476894      9.92987861    -12.32605576
  O     12.21197993      6.23969494    -12.38871429
  H     17.41446704      5.33051899    -11.55325174
  H     20.32551288     10.77478604    -11.90845818
  O     14.07810530      5.36536883    -10.38932095
  H     16.43487464      5.11483161    -12.74059055
  H     14.96701530      8.89628493    -12.60629811
  O     19.51391871     10.39837266    -11.57977892
  H     16.27177762      9.40056810     -8.78090385
  H     13.46764549      9.26424142    -12.73694810
  O     14.31963133      9.33230875    -13.18486242
  H     15.96099277      7.89661149     -8.54999185
  H     15.96965593     11.22834991     -9.74511307
  O     15.34143634     10.96366913     -9.05243704
  H     19.09641350      6.17790386    -13.21708268
  H     14.80615373     11.74248743     -8.86348230
          69
 Energy    -248.26632793871545     
  O     10.68303796     10.80828044     -9.59975106
  H     11.09324753     11.48456427    -10.16228875
  H     14.34869289     12.46563271    -14.54018939
  O     12.82086101     10.11959447    -17.54082616
  H      9.95757206     11.23215226     -9.14654938
  H     16.18493936      7.70175474    -12.68366517
  O     10.52138772      8.79270348    -11.68011501
  H     11.86858366      9.98658391    -17.44313193
  H     17.13456782      8.91776633    -12.50550661
  O     13.49897597      8.83913314    -15.22528971
  H     12.95588268     11.07424524    -17.51160699
  H     14.85061248      6.10803980    -14.18540757
  O     13.01215424     12.99407497    -17.24303282
  H     11.31838163      8.25665926    -11.56158805
  H     14.33772209      7.55788176    -14.33463457
  O     11.08497214      9.73953558    -14.17368991
  H     10.49212704      9.39591198    -10.92895449
  H     14.18344971     14.95029204    -11.43680984
  O     13.90728293      7.58203012     -8.84301853
  H     12.68200695      9.06668307    -14.75735816
  H     13.47774770     13.59051085    -11.61512801
  O     13.88665363     10.36769699    -11.72119478
  H     13.39116301      9.17904549    -16.12578235
  H     13.34689594      8.65057488    -11.58763413
  O     13.18180761     10.20107513     -8.24255492
  H     13.40720919     13.61312708    -17.85292680
  H     13.61405727      7.27613631    -12.23177550
  O     16.56963789     12.43829337    -11.42076274
  H     13.37207552     13.20316559    -16.36644592
  H     18.46370442     10.87348104    -13.43697530
  O     12.09043974     12.40212185    -11.38090899
  H     10.80574076      9.37623850    -13.32061073
  H     17.28423884     11.31168372    -12.53261347
  O     13.89351582     13.31988518    -14.62467613
  H     11.16498527     10.69671388    -14.06845093
  H     12.16278549     12.81526819    -14.21473552
  O     16.84636727      8.09130229    -12.09991921
  H     14.86274903      7.66813117     -8.94545182
  H     10.73648610     12.67647563    -14.79226078
  O     14.78485232      6.94337420    -13.72882729
  H     13.56381323      7.48008661     -9.74065321
  H     16.00842487      9.92472308     -9.38042587
  O     14.22999193     14.12545053    -11.91541693
  H     14.34856344     10.58247585    -12.54036183
  H     14.72391171     10.69280093     -8.95945579
  O     13.09480112      7.71413834    -11.54997039
  H     14.50540693     10.47494470    -10.98509721
  H     15.96816423     10.72209648    -14.04135652
  O     17.57945532     10.63628784    -13.17136398
  H     13.34275752      9.24882543     -8.33430484
  H     14.62826411     10.13058542    -14.64317860
  O     11.26516623     12.53154285    -13.99486666
  H     12.30545359     10.36219317     -8.60541996
  H     11.09716571     12.85093308    -16.90887299
  O     15.53013428     10.75575946     -9.49647546
  H     15.85289804     13.05045518    -11.61649119
  H     10.04279488     11.74513815    -16.71816198
  O     15.03983580     10.90323531    -14.23391349
  H     16.29073070     11.94326163    -10.63530858
  H     17.44861846      7.78855308     -9.01471861
  O     10.22616696     12.67471619    -16.53084232
  H     12.67652279     11.63230575    -11.47428930
  H     16.75477400      8.08948746    -10.36491373
  O     16.67387112      8.18896652     -9.39965462
  H     11.62435730     12.50178211    -12.22376474
  H     10.35632532      9.69960168    -15.81392412
  O     10.08870027      9.82204159    -16.74082219
  H     14.06681997     13.79316092    -13.80310429
  H      9.38094121      9.20447638    -16.90568074
          69
 Energy    -248.26620911972657     
  O     -1.07862365      3.22047708      2.70376268
  H     -1.84207118      2.92745555      2.19112907
  H      1.95699808      1.61665463      0.30083330
  O     -3.03557069      5.45161115     -0.13179945
  H     -0.52594368      3.71203648      2.07540730
  H     -0.49249211      2.40521907     -2.17747283
  O      2.94686891      7.47068904      0.06285641
  H     -2.85955226      6.10048350      0.55939579
  H     -1.17572689      2.93787859     -3.46828410
  O      0.74717286      7.22102556      1.81093626
  H     -2.27870066      5.50679954     -0.73670240
  H     -2.32157862      0.68299988     -1.78164442
  O     -0.76441371      5.39636842     -1.61719463
  H      3.63176411      8.13342207      0.09690471
  H     -3.06175461      1.22255473     -3.01919622
  O      2.50613621      3.20812325     -0.23713282
  H      3.29192731      6.68736114      0.52890612
  H      3.58487933      3.88702946      4.53165442
  O      0.40062839      4.63710816      0.81123105
  H      1.35041255      7.52943457      1.12488134
  H      2.44069813      3.38331482      3.62727059
  O     -2.13000766      7.30994494      1.82004079
  H     -0.16182097      7.46394468      1.59867970
  H     -4.83782381      3.30501007     -1.65721073
  O     -0.92627697      1.44589796     -0.73082752
  H     -0.69958962      4.58484818     -2.13537094
  H     -4.11081461      4.65487100     -1.48984695
  O     -1.56884098      5.70876932      3.92454268
  H     -0.01346580      5.95349176     -1.87046261
  H     -3.29715551      3.01864427     -4.90959811
  O     -2.93000202      2.78013804      0.71379482
  H      2.51306727      3.40534771     -1.18152480
  H     -3.46767994      3.35587426     -3.41006193
  O      1.49680989      0.82252644      0.62424184
  H      1.78016315      3.71702165      0.16143644
  H      0.45692753      2.37166786      3.23804448
  O     -0.35905150      2.97101538     -2.95350132
  H      0.61095731      5.46516953      1.26276506
  H      1.44900021      1.51764651      2.44190812
  O     -3.13011680      0.58054356     -2.30166354
  H     -0.05972945      4.87686233     -0.00367246
  H      1.34567585      3.49277465     -3.07042510
  O      3.00612456      4.15118892      3.82041829
  H     -2.63701870      8.05966467      2.12130464
  H      2.73118145      3.53950056     -3.75478637
  O     -4.46536117      4.04666275     -2.15071923
  H     -1.97593219      6.74807813      2.60295541
  H      1.75913076      5.54034917      4.30003418
  O     -2.91657182      2.86806601     -4.04853261
  H     -1.54695668      1.91837375     -0.15787911
  H      1.09030518      6.70703044      3.55881142
  O      1.36911361      2.04715362      3.24222276
  H     -0.17714420      1.16197701     -0.19489692
  H      3.57668486      4.92705184      2.20454886
  O      2.25687744      3.81906692     -2.97563627
  H     -1.52449420      4.78706112      3.64091442
  H      3.55547901      4.45241261      0.74428628
  O      1.11720547      6.25063263      4.41178563
  H     -0.68509224      5.91399324      4.26365566
  H     -5.81516568      1.06343453     -0.55161837
  O      3.78900059      5.20360074      1.30378509
  H     -2.98076804      3.71617791      0.47098084
  H     -4.45275731      1.15422871     -1.28387810
  O     -5.07394587      1.64037423     -0.71254052
  H     -3.73030435      2.35973829      0.37887464
  H      2.12349862      6.88377631     -1.51350547
  O      1.60579654      6.55916806     -2.26160512
  H      2.06687042      0.07884674      0.44380153
  H      2.00033560      5.72263931     -2.53518285
          69
 Energy    -248.26606194487675     
  O     12.05651886     10.88663707    -14.76372419
  H     12.21109891     10.17874160    -15.40574359
  H     20.18210426      8.80272334    -15.26510796
  O     15.80630627      6.80293658    -13.24776517
  H     12.78460398     11.50934871    -14.86354968
  H     17.39286145     11.86438024    -15.19296499
  O     17.31744018     10.49644271    -11.51530653
  H     15.50610846      7.55622544    -13.78174898
  H     16.89879247     10.93138614    -16.30698069
  O     12.29434628      6.07549532    -15.40464055
  H     15.24349930      6.79481496    -12.46237109
  H     14.91705712      9.68791153    -14.04180752
  O     15.70774661      9.88509209     -9.33909352
  H     16.85089076     10.37107972    -10.67582715
  H     14.21709396      8.90902347    -15.21105209
  O     14.14128776      7.11110677    -11.03584537
  H     17.60715561      9.61962460    -11.80041380
  H     11.40278128     10.12035324    -13.33487005
  O     14.91240841     10.98178639    -12.78015561
  H     11.59284290      5.46126330    -15.60336333
  H     10.14299817      9.90163205    -12.46744652
  O     16.26965370      6.73799622    -17.83072044
  H     12.17903515      6.34228773    -14.47389833
  H     18.47732927      7.35438097    -10.77648456
  O     15.96151443      7.03361615     -8.87709890
  H     15.80698997      8.96543372     -9.06680164
  H     19.32288669      7.45383744     -9.49763434
  O     17.18112279      8.97819336    -16.36784764
  H     14.81124243      9.95239247     -9.69264754
  H     12.67743232      6.85489953    -12.20549626
  O     15.08774910      5.60490780    -15.68914322
  H     14.70394236      6.95255622    -10.26861725
  H     11.62198367      7.83215766    -12.77483394
  O     19.39308257      8.97059741    -14.75647146
  H     13.88084421      8.04342650    -10.98767805
  H     18.99572208     10.77023826    -14.10497600
  O     16.75918648     11.80367837    -15.92450815
  H     15.81023930     10.95644386    -12.42077007
  H     18.21501809     11.38240620    -12.93575388
  O     15.02594311      8.97969515    -14.68923037
  H     14.81929786     11.72024196    -13.39291095
  H     17.39080522      7.48156514    -12.74367334
  O     11.05163656      9.63124643    -12.56944239
  H     15.85465062      6.30027402    -17.06429999
  H     18.68155149      8.22314294    -13.21227076
  O     18.51424212      7.08453768     -9.84464587
  H     16.70552895      6.05428999    -18.33183412
  H     14.60339249      9.15524697    -19.20420583
  O     11.99431679      6.94789263    -12.88100703
  H     15.93807034      6.56879695     -8.04457791
  H     14.92633339      7.85525581    -18.45191116
  O     18.55886681     11.58041278    -13.81641189
  H     16.88016074      6.99405225     -9.19381502
  H     12.44734782      9.76354469    -11.30256652
  O     18.17818271      7.95401877    -12.43473694
  H     16.99185388      8.24025180    -16.95772311
  H     13.87778887     10.25293700    -11.57042553
  O     14.21228142      8.47607888    -18.65850589
  H     16.43504974      9.01746972    -15.74729252
  H     15.20445876     12.36166786    -15.38167926
  O     13.33269869      9.77917682    -10.92165484
  H     14.12723472      5.68194341    -15.63036722
  H     14.32240962     13.59387519    -15.08076655
  O     14.38112210     12.65130228    -14.94861217
  H     15.42314920      5.83642881    -14.81313927
  H     13.19552102      8.65516169    -17.18401928
  O     12.77536875      8.69191513    -16.31314681
  H     18.64645074      8.95707048    -15.37994051
  H     12.52022975      7.79131187    -16.07596990
          69
 Energy    -248.26554334348867     
  O     10.61195982     10.39293637    -14.82324806
  H     10.59753792     11.13268834    -14.20537132
  H     16.37562090      6.76027501    -14.93191877
  O     14.75267020      6.53810231    -11.62687300
  H     11.00876404     10.70420092    -15.64592077
  H     18.50704298      8.00172286    -15.60706376
  O     16.39044230     11.73861371    -13.78185267
  H     15.23247660      7.20787287    -11.12744254
  H     18.43623868      9.02080061    -14.45069041
  O     11.83548397     11.17098344    -17.33950223
  H     15.15984719      6.54218455    -12.50298464
  H     16.84950861     11.27203842    -16.91222367
  O     13.82959412     10.67523625    -13.83277423
  H     16.78419202     10.89912827    -13.50323175
  H     15.37939850     10.81499967    -16.73292964
  O     14.95631641     13.65799873    -12.39990009
  H     16.34258178     11.73959907    -14.74981694
  H     11.30548864     12.54176159    -12.17644166
  O     12.15609312      7.59092778    -11.47585242
  H     12.45423700     11.92003150    -17.26979181
  H      9.87963407     12.97742618    -12.58489133
  O     12.93134511     13.36578070    -14.35950665
  H     11.27797461     11.34811183    -18.09335190
  H     16.14695251      9.06701187     -9.55124371
  O     16.55788095      8.33495337    -18.21349792
  H     13.34517771     11.46237034    -14.10355705
  H     15.10070266      9.35085007    -10.65260503
  O     13.49513498      9.92553229    -11.16282739
  H     14.75922969     10.93765015    -13.81080316
  H     10.12701676      7.30045161    -14.33564086
  O     17.49780426      6.55958964    -16.38997904
  H     15.54314524     13.01220902    -12.82793795
  H     10.74678824      8.71779830    -14.32413519
  O     15.85437758      7.05554906    -14.17635341
  H     15.50312439     14.40033287    -12.15408104
  H     14.57777415     12.73596102    -16.91908529
  O     18.83730463      8.86070451    -15.31347940
  H     12.97561800      7.08139127    -11.56944963
  H     13.42840019     13.34298376    -16.08760239
  O     16.00549541     11.51978145    -16.51353231
  H     11.70650981      7.56980671    -12.32751879
  H     16.92657631      9.15511033    -12.08328548
  O     10.67960068     12.58234558    -12.92172614
  H     13.58316457     13.60458582    -13.68769020
  H     16.70761397      8.46713008    -13.44333458
  O     15.97575097      8.96136236    -10.48352878
  H     12.07848819     13.27119990    -13.91665972
  H     13.36181890     10.02800020    -17.47077967
  O     10.91117655      7.78567336    -14.09352026
  H     17.17932197      9.06989986    -18.14158461
  H     13.95206947      8.94352249    -16.55645279
  O     13.69160022     13.11135773    -16.99126540
  H     15.68124662      8.70459859    -18.04310073
  H     13.44012945     12.97313791    -11.33931189
  O     17.17018014      9.20416503    -13.01617979
  H     12.93906456      9.13081048    -11.16040111
  H     12.87759869     11.62037584    -10.87224238
  O     14.16446524      9.52060584    -17.30464324
  H     13.58884697     10.18814959    -12.08920317
  H     19.20166452     10.73601461    -17.86112635
  O     12.63528318     12.54545403    -11.02535162
  H     17.12876283      7.12557325    -17.09142034
  H     18.61465825      9.92079872    -16.68230029
  O     18.38303400     10.43487409    -17.47715876
  H     17.81818805      5.76745119    -16.81243019
  H     12.62881603      7.88365647    -14.75454104
  O     13.50639453      8.20854464    -14.98736458
  H     15.00816971      7.38615620    -14.51307644
  H     13.59187392      9.07816832    -14.56474995
          69
 Energy    -248.26539314054187     
  O     12.15590520     12.24551263    -15.18106107
  H     11.57798339     12.99858913    -15.08867757
  H     14.59772967      5.86993457    -14.35995502
  O     17.62439812      6.61235147    -13.50717546
  H     12.87401754     12.37869311    -14.54334142
  H     16.44188961     10.08938758    -14.75023155
  O     19.26168180     10.99655443    -12.50863764
  H     16.85840055      6.10493138    -13.21360302
  H     17.61764744     10.89115395    -15.36303574
  O     16.68042022     13.85942369    -13.45707032
  H     17.46773396      6.82856847    -14.43506608
  H     15.75457879      7.22463407    -19.54659783
  O     15.20888209      5.26237436    -12.72152100
  H     19.13395895     10.06708443    -12.29186796
  H     14.76592607      7.44149201    -18.37723359
  O     15.58387462     11.31402953     -9.44454779
  H     18.74809497     11.51077339    -11.86626412
  H     14.56495246      9.39240920    -13.65518338
  O     14.16667075      7.12730379    -11.07127058
  H     16.87215864     14.78362371    -13.60040178
  H     15.64019055      9.58090916    -12.53367887
  O     14.25197959     12.43002200    -13.34360967
  H     17.34121297     13.35968222    -13.96227465
  H     13.62117479     10.13961870    -17.01814599
  O     13.20624692      7.28807823    -17.57965222
  H     15.13527839      4.40008078    -12.32195814
  H     12.45474425     10.77778392    -16.21354503
  O     16.19643924      8.99564271    -10.89048951
  H     14.80063665      5.89548815    -12.10360256
  H     18.39694471      7.69526938    -12.40351251
  O     16.81443361      7.45487381    -16.08737999
  H     14.72839726     11.38399925     -9.90588692
  H     19.47425896      7.82556099    -11.30198045
  O     14.38526906      6.39516092    -15.14126153
  H     15.41408402     11.47302859     -8.52014993
  H     12.32151382      8.86240373    -12.63604401
  O     17.00815090     10.16634558    -15.53378399
  H     13.38361594      7.67746065    -11.17943881
  H     11.11871117      8.84617731    -11.66694877
  O     15.68210610      7.59449390    -18.67126535
  H     14.89793103      7.74105376    -10.90831404
  H     19.43917427     12.57820269    -15.20848503
  O     15.33964237      9.90663518    -13.39069276
  H     14.63825463     11.54059434    -13.37035170
  H     18.94295649     11.82316393    -13.94747595
  O     12.77213202      9.94593047    -16.59100212
  H     14.99714485     13.03837827    -13.40631137
  H     16.88716344     12.23402143    -10.44366609
  O     18.76581465      8.29744776    -11.73211735
  H     12.88410526      8.16098402    -17.31784253
  H     17.17153848     13.08597911    -11.70384032
  O     12.06156337      8.98746396    -11.70659887
  H     13.44210914      6.83142761    -16.76147816
  H     15.47029612      9.47387302    -18.18825321
  O     18.65251351     12.32841572    -14.73167222
  H     17.13109169      8.80722258    -11.04265070
  H     15.88754447     10.36329002    -17.00478911
  O     17.59476398     12.58722962    -10.99621723
  H     16.11534770      9.76257718    -10.30998812
  H     13.50869859     11.89456126    -11.70000067
  O     15.25461212     10.29580760    -17.73224661
  H     16.57517912      7.40021818    -17.02115183
  H     12.84505500     10.62255931    -11.11876734
  O     13.29852980     11.43856328    -10.87435396
  H     16.96787873      8.39380512    -15.90539010
  H     12.87477459      9.10506846    -15.02623523
  O     13.03927805      8.60340093    -14.21494369
  H     15.22162906      6.76672871    -15.45789905
  H     13.44269236      7.76452286    -14.47680239
          69
 Energy    -248.26511358718329     
  O     13.58819119     13.60454833    -11.18464608
  H     13.86132752     13.12889862    -10.38550694
  H     14.08167936     13.62676040    -14.91444040
  O     17.25140102     12.34691454    -17.00525733
  H     13.01582648     13.00394914    -11.67724512
  H     17.12531987     13.96930666    -16.01174687
  O     14.25779028      9.85208571    -11.18725871
  H     17.42221545     12.29662892    -17.94299365
  H     16.19417056     15.03226446    -15.37237150
  O     17.17464423     15.66373783    -10.72093956
  H     16.52632588     11.72700428    -16.82197379
  H     13.88895368     16.20277079    -15.28103074
  O     15.21508288     10.66813298    -16.21463585
  H     15.18621112      9.87494618    -11.46307711
  H     14.50183765     15.68246449    -13.96104603
  O     13.38123913      7.39866015    -12.26620104
  H     13.92727561      8.97584584    -11.41922406
  H     19.38318322     11.69712219    -11.36390725
  O     14.97893706      7.21713317    -14.45914579
  H     17.62487479     16.47695886    -10.50492925
  H     18.44093234     11.95288271    -10.16237897
  O     15.92053507     12.74478219    -12.61015470
  H     17.59199856     15.31865620    -11.53142476
  H     18.51761978     11.62800213    -15.74555979
  O     12.55151163     11.48351927    -12.74937416
  H     14.55918125      9.97665455    -16.36690608
  H     18.46195461     10.35477896    -14.88948030
  O     17.01435952      9.17128343    -14.58748550
  H     14.76988368     11.37511813    -15.72255191
  H     12.71797338      8.82460141    -15.53608578
  O     20.06931007     12.49126121    -12.96976275
  H     14.00325308      7.27270731    -13.00532140
  H     12.72062605      8.27492612    -16.98216927
  O     14.18119139     12.69116646    -14.70428117
  H     13.21935869      6.53679152    -11.89231111
  H     14.54416295     11.15211685     -9.79986715
  O     17.11324175     14.74479047    -15.43800776
  H     15.79628437      7.73197590    -14.47812981
  H     15.58495953     12.20037902     -9.30856283
  O     14.40117341     15.48906444    -14.91056913
  H     14.43971410      7.56132373    -15.18131089
  H     17.46831494     13.42173633     -8.36293292
  O     18.92508459     11.26288911    -10.63326858
  H     15.23475099     13.12280517    -12.04431086
  H     17.20579283     14.07422086     -9.73229992
  O     18.97967311     11.15533931    -15.04421400
  H     16.64269818     13.37787461    -12.70170827
  H     16.50607964     11.11857577    -12.29683155
  O     13.28487473      8.64349543    -16.30787735
  H     13.04222797     11.85962423    -13.49365317
  H     17.60349749     10.38104580    -11.50582036
  O     14.65032763     11.96607093     -9.28890910
  H     13.16866205     10.94756739    -12.22685383
  H     14.14809923     15.19344278    -11.81074303
  O     17.29709471     13.22178069     -9.28206760
  H     16.39443232      9.69605194    -15.11274817
  H     15.47763043     15.95383756    -11.70290003
  O     16.82726326     10.23356640    -12.06222408
  H     16.95256790      9.48250547    -13.67040481
  H     11.90817648      9.92947435    -13.62264873
  O     14.67658710     15.88919827    -12.23173499
  H     21.01427417     12.51532279    -13.09561115
  H     12.22436769      8.44132087    -13.39070591
  O     11.86244907      9.05906121    -14.03850097
  H     19.70246236     11.97885124    -13.71339443
  H     17.84858405     14.64207441    -13.85673910
  O     18.11831470     14.47385900    -12.94003354
  H     14.87653826     12.65586352    -14.02758823
  H     18.85309148     13.84757897    -12.94777052
          69
 Energy    -248.26469662889639     
  O     11.64944047      9.18884641    -15.65200513
  H     11.31818954      8.87356598    -14.80264792
  H     16.45461100      5.85260272    -14.59167635
  O     16.22823199      6.88794861    -13.04371943
  H     11.93651667     10.10093625    -15.52122741
  H     15.76679806     11.39856864    -16.27445197
  O     16.05022323     10.62423081    -11.36728833
  H     16.94411923      7.36912391    -12.61383895
  H     15.18283564     10.65576819    -17.48112283
  O     16.98640325     10.96505188    -14.99190742
  H     15.80726935      7.53453382    -13.63375679
  H     15.76986977      9.52658021    -14.85722208
  O     13.59240464      5.18500989    -15.84148701
  H     15.29730883     10.69507961    -11.97111690
  H     14.69022491      8.51090171    -15.38259266
  O     14.65182580      9.51928244     -9.26469537
  H     15.68341810     10.31192644    -10.52845346
  H      9.87414415      8.06967215    -12.82049098
  O     14.15913000      6.51525746    -11.29169791
  H     17.77959870     10.41739176    -14.95529254
  H     11.32152875      8.40126074    -12.39657132
  O     13.79614559     10.56531481    -13.01027868
  H     17.07175382     11.62279342    -14.28710280
  H     18.19854374      7.77454068    -10.50596971
  O     17.69885854      7.78756564    -16.59805586
  H     13.18353541      4.38435030    -16.15884430
  H     18.99223693      6.77832697     -9.64780307
  O     15.57047584      6.82751717     -8.85463310
  H     13.19801435      5.37333049    -14.97088063
  H     13.01965657      5.90936295    -12.65620755
  O     19.03571120      9.07758143    -14.65729511
  H     13.81896223      9.37994252     -9.73151328
  H     11.83153195      6.52448424    -13.42127964
  O     16.42458152      5.57275914    -15.51685926
  H     14.96182626      8.63942343     -9.01793930
  H     17.25686797     13.49013703    -12.39908468
  O     15.00887099     11.38627840    -16.87681511
  H     14.90103440      6.59165063    -11.91182212
  H     16.88947242     12.01661019    -12.15512013
  O     15.14097088      8.84054872    -14.59602035
  H     14.55142060      6.48623410    -10.41169934
  H     18.44285755      8.91197565    -12.87085150
  O     10.77233767      8.10438763    -13.14082814
  H     14.21135488      9.86582963    -13.54111515
  H     17.39421672      9.43731975    -11.83243112
  O     18.13625052      7.19069552     -9.73321054
  H     13.39695635     11.16138333    -13.65295169
  H     15.56577716      8.75918277    -19.21607960
  O     12.48640435      5.81783802    -13.45637432
  H     17.27560654      6.96762854    -16.30133370
  H     14.90101536      8.50144482    -17.84421087
  O     17.25793048     12.63022203    -12.81100754
  H     17.08903169      8.20816051    -17.21261394
  H     12.99445238      9.50583316    -11.80435080
  O     18.05436716      8.74973493    -12.00242295
  H     15.58546020      6.37055192     -8.01761559
  H     13.15440398      8.04979169    -11.25401331
  O     15.63515993      8.96332952    -18.28674720
  H     16.49602219      6.92583179     -9.13731679
  H     12.39958147     12.62693023    -15.59726780
  O     12.59938723      8.84383437    -11.21582814
  H     19.95279679      9.14403768    -14.90989304
  H     13.56827225     11.67075096    -15.92227916
  O     12.79892366     11.80069518    -15.33888812
  H     18.59182993      8.55859961    -15.35422015
  H     12.90130944      8.26611523    -16.46626482
  O     13.69673180      7.81153157    -16.78553009
  H     15.50371337      5.34045787    -15.68130871
  H     13.62914467      6.87955223    -16.54420876
          69
 Energy    -248.26460533506059     
  O     10.68241428      9.14471205     -8.66018780
  H      9.83563150      9.05366674     -8.22954171
  H     13.58821251     12.12558054    -13.75303793
  O     13.49982715      9.06807110    -16.61664264
  H     10.56497493      9.79748753     -9.37160780
  H     16.89446905     10.58060453    -10.62582152
  O     11.71324584      7.33876839    -10.70616181
  H     12.68749703      8.54963288    -16.54535775
  H     16.96251406      9.58217830    -11.80113306
  O     14.37465257      8.51648379    -14.09410411
  H     13.21827744      9.98756448    -16.69765955
  H     16.93884792      7.11477021    -12.69929642
  O     12.46134393     11.75506753    -16.63567573
  H     11.31033265      7.82475527     -9.97864953
  H     15.69886481      7.97500784    -13.03279803
  O     11.72000970      8.27568632    -13.28694670
  H     12.66352190      7.33544178    -10.52286095
  H     12.56671942     15.56345102    -12.11558300
  O     15.27307732      8.32791136     -7.67288393
  H     14.23922198      8.66713872    -15.04121022
  H     12.34109384     14.25702992    -11.31940101
  O     13.44549053     10.36938506    -10.84536734
  H     13.49478141      8.37295518    -13.71784275
  H     14.80168161      7.87682651     -9.39119004
  O     13.11542107      9.93124251     -7.35298407
  H     12.65441911     12.44248952    -17.26892332
  H     15.16601445      7.70999083    -10.90454151
  O     15.22391947     13.88458127    -10.69105121
  H     12.59403786     12.14359788    -15.75589920
  H     11.36935712     11.51400592    -13.60785867
  O     10.76125292     10.90703781    -10.73288278
  H     11.36068613      9.17276350    -13.27263383
  H     10.24626563     10.72780153    -14.32957265
  O     12.80391557     12.62783240    -14.02531902
  H     11.63617171      7.90396272    -12.39720904
  H     13.83969272     11.51572513     -9.53633774
  O     16.98224683     10.52267121    -11.58866578
  H     15.49591982      7.85608240     -6.87535880
  H     14.51400260     12.88775048     -9.34821217
  O     16.35673215      7.78120323    -12.34281811
  H     14.48447155      8.86533116     -7.47351592
  H     15.67962688     11.00836553    -12.64447579
  O     12.82043269     14.64475606    -12.07378589
  H     13.91979855     10.66166416    -11.63318805
  H     14.71620585     10.22469404    -13.58172363
  O     14.43476442      7.80561618    -10.28223699
  H     13.76141367      9.48288098    -10.62866802
  H     10.24417436      9.42532451    -16.15447035
  O     10.65488291     10.87918846    -13.46572276
  H     12.27449815      9.67730333     -7.75351645
  H     10.75870257     10.85250850    -16.42004270
  O     14.04118095     12.19162829     -8.86741588
  H     13.33191560     10.81306628     -7.67926229
  H     16.24958744      9.81824100     -8.40470787
  O     14.85735436     11.08073800    -13.15339800
  H     14.50883444     14.18862192    -11.26623693
  H     15.78836701     11.24943506     -8.69405251
  O     10.00062344     10.35716390    -16.08409958
  H     15.90149656     13.53213021    -11.26687846
  H     11.17200589     12.64296343    -10.18162618
  O     16.51202389     10.63281771     -8.84958862
  H     11.70823717     10.69044958    -10.77275839
  H     12.37875562     13.14006746     -9.37222823
  O     11.65762025     13.44214618     -9.93664764
  H     10.46576042     10.91960755    -11.65230123
  H     10.72032194      6.83384443    -16.04116414
  O     11.07958498      7.70739594    -15.90934420
  H     12.75481701     13.39525821    -13.44309454
  H     11.26659978      7.79210773    -14.95896866
          69
 Energy    -248.26455270637501     
  O     16.56730517     11.72116633    -16.12930358
  H     17.41065830     11.33857944    -15.85527262
  H     14.52261601      5.19274228    -16.17687357
  O     12.36958015      6.76265946    -14.54738239
  H     15.94430959     11.60790196    -15.40377512
  H     17.51582548      7.88618252    -18.09616644
  O     18.99662722      7.05789301    -12.65245195
  H     11.49968302      6.40788213    -14.38765916
  H     17.15571570      9.40687424    -18.25448767
  O     16.87733738      6.23496477    -18.35082171
  H     12.77467773      6.21645230    -15.24711897
  H     16.60174106      8.38374741    -16.35186535
  O     14.11066893      6.48911942    -19.03364971
  H     18.31888343      6.41301995    -12.89453196
  H     16.55198709      8.47561130    -14.80074856
  O     15.92783579      8.92211740     -9.61566272
  H     18.91700323      7.17261433    -11.69305239
  H     13.68547925     12.07285026    -14.38067565
  O     14.45055114      7.00421838    -12.64560970
  H     16.83946622      5.74336044    -17.52060008
  H     13.93686533     10.59929729    -14.77673394
  O     17.52622840      9.24769501    -13.45084901
  H     15.96725394      6.26988920    -18.67231641
  H     16.78744734      3.95679207     -9.59727860
  O     16.29523426      5.37497360    -15.68609053
  H     13.97456284      7.43673692    -18.85656933
  H     16.00202133      5.23151815     -9.99164877
  O     14.67016053      6.37172353     -9.91606373
  H     13.69404100      6.30308423    -19.87091358
  H     14.42753572      8.72924322    -15.61696734
  O     18.92521521     10.13491478    -15.65196944
  H     15.88968720      9.64446117     -8.99323991
  H     12.96606499      8.38404436    -15.24389418
  O     13.61631672      5.36549651    -16.46760769
  H     15.63696340      9.27816747    -10.47089950
  H     21.56506189      7.97759619    -14.52659294
  O     17.69778929      8.77839335    -17.76251303
  H     14.62546342      7.94904466    -12.54594692
  H     20.21768086      7.84509693    -13.80224529
  O     16.07796775      8.14690719    -15.57449646
  H     13.71633135      6.90458967    -13.26317089
  H     15.95942550      5.94789929    -12.87682469
  O     14.30379556     11.35264750    -14.28206541
  H     18.04388041      9.67330442    -14.14756771
  H     16.83195498      4.99104122    -12.03917888
  O     16.82132961      4.72993631    -10.15369378
  H     18.05616943      8.51609376    -13.10686236
  H     17.86832116      6.34236267     -9.95339568
  O     13.52451735      9.08904464    -15.59169466
  H     16.18966359      6.33924326    -15.65816719
  H     17.54454947      7.84265542     -9.83996896
  O     20.71126810      8.39265890    -14.43202078
  H     16.54636718      5.12505543    -14.78950735
  H     16.16267568     11.23864017    -17.76099896
  O     16.74452429      5.38185842    -12.91709269
  H     14.43007159      6.49804549    -10.84473007
  H     16.17903064     11.55646534    -19.27484788
  O     18.26144687      7.22247650    -10.01681639
  H     15.01770112      7.22637161     -9.63141189
  H     14.78283580     10.35578466    -12.73966314
  O     15.99348473     10.86524757    -18.64464420
  H     18.62966561      9.65360276    -16.43906963
  H     16.09793217      9.58186651    -12.55850998
  O     15.21254867      9.70390704    -12.17531879
  H     19.66680251      9.62676439    -15.29075502
  H     14.49421686      9.74478060    -18.55796339
  O     13.78634731      9.10650685    -18.40558652
  H     13.69006416      5.69089210    -17.37288871
  H     13.56168975      9.17319472    -17.46872148
          69
 Energy    -248.26439086100552     
  O     19.86060622     10.55915197    -11.90240539
  H     20.59644166     10.84996370    -12.45145844
  H     17.66979401     11.11763531    -16.34802505
  O     14.09741684     15.32442954    -13.49222174
  H     19.39355373     11.36426290    -11.63811980
  H     19.82987715     14.78956187    -14.14080718
  O     20.54852826     14.20371863    -12.61338644
  H     13.79171149     14.55871642    -14.01516895
  H     18.42942485     14.94143710    -14.79907672
  O     17.07806420     12.00366357    -17.82823381
  H     13.39630439     15.97002559    -13.50841913
  H     14.70328431     10.65735649    -12.11660443
  O     20.38221541     12.39374585    -15.81523784
  H     21.12069786     13.44976166    -12.79486453
  H     14.19129678     10.38962699    -13.56419189
  O     15.72187199     10.14318868    -10.80842596
  H     19.80920219     13.85165568    -12.09731145
  H     17.81920049     12.67425926    -12.20549629
  O     16.90482209      8.58845189    -14.34681261
  H     17.95225737     12.09367774    -18.22682620
  H     17.78026123     12.88632542    -10.67657141
  O     21.83903583     11.76758458    -13.56403272
  H     16.76605068     12.90765026    -17.67786960
  H     18.69330880      9.30423112    -11.79819925
  O     19.76269143     12.67878322    -18.56590438
  H     20.01494617     13.24163834    -15.52089739
  H     18.32662016      7.90502861    -11.25089410
  O     13.42033735     13.05279351    -14.77174391
  H     20.32561654     12.38929858    -16.77812784
  H     16.30713448     14.71000875    -16.37101861
  O     16.30860923     12.67840162     -9.55056428
  H     16.02068822     10.88653230    -10.27183750
  H     15.34738317     14.89278885    -17.56990883
  O     18.11271105     10.77811089    -15.55788116
  H     16.50482075      9.63491143    -11.05538675
  H     14.16613198     12.67589538    -11.77646058
  O     19.37248206     14.86140139    -14.99222014
  H     17.25759712      8.54329151    -13.45017767
  H     14.31754015     14.20007327    -11.93311133
  O     14.26174218     11.06776824    -12.87939415
  H     17.43872140      9.24495161    -14.81575650
  H     16.64323446     13.86091569    -14.28858801
  O     18.37338776     12.87455033    -11.43636460
  H     22.76339075     11.62440308    -13.75139364
  H     15.81994331     15.16261086    -14.18364883
  O     17.96957448      8.65719286    -11.71593793
  H     21.40452250     11.93404039    -14.41687174
  H     13.85193999      8.41512000    -15.12870792
  O     16.23931746     14.64555610    -17.33821865
  H     19.55236642     13.61048832    -18.36884078
  H     15.27128108      8.90906473    -14.75137510
  O     14.37810878     13.48291250    -11.29187407
  H     20.25194415     12.67206326    -19.38394979
  H     17.23202835     11.66103474    -14.25283987
  O     16.58819244     14.77204991    -14.61658941
  H     13.74677282     12.61298504    -15.56990876
  H     15.93985136     11.82199442    -13.39247869
  O     14.36491719      9.20091714    -14.96024496
  H     13.51316495     12.39190717    -14.07559477
  H     19.27715549     15.22274355    -16.83470967
  O     16.78184180     12.23262047    -13.61699441
  H     15.60674708     13.04906574    -10.11539861
  H     18.05449150     15.15410360    -17.76325946
  O     19.01978791     15.15671275    -17.76532654
  H     16.11328386     12.94780113     -8.65720909
  H     14.45497400     10.61160959    -16.26279665
  O     14.45939523     11.43709239    -16.76414408
  H     18.97658729     11.20740669    -15.53605449
  H     15.29932933     11.46957433    -17.23408852
          69
 Energy    -248.26434016999596     
  O     -1.50706765      4.62842980      4.58281180
  H     -1.18908732      3.92377618      5.17530673
  H     -1.39348034     -3.65724050      2.85937746
  O     -2.83894220      3.48854250      2.26023415
  H     -1.68869827      5.38533217      5.13389040
  H     -0.28603964      2.27373656      2.69968948
  O     -0.37468001      2.59979952      6.02367599
  H     -2.25587767      2.71309200      2.27970791
  H     -1.06627498      1.05188546      3.29187886
  O      1.52753249     -3.23326380      1.69298156
  H     -2.57650257      4.01239089      3.02356561
  H     -3.15188828     -0.90773709      1.62729743
  O      0.13257615      0.49096313      0.21554507
  H     -0.76839163      1.75672748      5.75346215
  H     -4.21296119      0.05623041      2.20228747
  O     -2.08082454     -1.13412152      0.06880775
  H      0.56934484      2.49329793      5.87026456
  H     -1.85351206     -0.48464993      4.93372324
  O     -4.85932561      1.62725907      1.56635805
  H      1.58335229     -3.44380217      2.63297293
  H     -0.31602222     -0.25403807      4.75507375
  O     -3.64930329      0.91300273     -0.96717804
  H      1.89090257     -2.34224379      1.60149193
  H      0.31626276     -3.64958941      4.35305161
  O      0.42330005      2.88262101     -1.22927623
  H      0.29429535      1.22537269     -0.38785908
  H      1.50276804     -4.26627136      5.13583324
  O      2.22492248     -0.51485861      1.71645945
  H     -0.27019129      0.86963732      1.01604117
  H     -1.12930203     -4.44166987      0.49341256
  O     -3.15986470     -1.77578397      4.76162789
  H     -1.80936108     -2.03241141      0.29461707
  H     -0.11661105     -3.46850411      1.13817952
  O     -1.32547231     -3.69373009      3.82060495
  H     -1.26864765     -0.60585368      0.05185498
  H      4.74196407      1.92531243      2.16117597
  O     -0.88789761      1.54813369      2.48250379
  H     -4.59203272      1.46383545      0.65361424
  H      3.32908561      2.37435084      1.71621984
  O     -3.73550086     -0.76593200      2.38034805
  H     -4.31956313      2.36983733      1.86786359
  H      1.41782625     -1.71152301      4.56630480
  O     -1.16602142      0.18980387      4.89265450
  H     -3.14468590      0.14196678     -0.66153808
  H      1.60619119     -0.68071726      3.42966461
  O      1.26856395     -3.55799553      4.54304223
  H     -4.14746688      0.62573013     -1.72886279
  H      1.91482935      0.99450317      4.71721218
  O     -1.06158893     -3.60260799      0.94294160
  H     -0.48846651      3.11172152     -0.97207021
  H      2.87043449      1.93191397      3.97566365
  O      3.81315733      1.75579580      2.29369661
  H      0.52148281      3.13509763     -2.14325813
  H      1.22485021      3.21145179      3.75453938
  O      1.36614808     -0.76936874      4.36353290
  H      2.86342862      0.19498768      1.85335221
  H      0.03803766      4.21639124      3.58398426
  O      2.18648796      1.92101071      4.65826328
  H      1.54043237     -0.17347452      1.12278626
  H     -2.40743727      3.55213910      0.40272170
  O      0.73636409      3.74719833      3.11195686
  H     -3.43308407     -1.41938302      3.89377089
  H     -2.67149404      2.51950641     -0.71351673
  O     -2.13915968      3.29293865     -0.48748658
  H     -3.95208638     -1.88779404      5.27895460
  H      1.71712669      3.71940220      1.57824140
  O      2.29303163      3.45121370      0.84693500
  H     -1.99318010     -3.09121160      4.17161858
  H      1.71390970      3.30916215      0.08988159
          69
 Energy    -248.26404812771813     
  O      4.28206500      3.01897147      5.94449167
  H      4.86290448      2.52702561      5.33674260
  H      4.10160944      4.55042294      4.73041161
  O      2.35762012      1.79683915     -0.95610551
  H      4.70140555      3.00523292      6.80039607
  H      1.50333130      0.01682005      2.73264218
  O     -0.09343023      3.14362424     -1.35965380
  H      1.56941022      2.27633928     -1.23570782
  H      1.88809690      0.52987855      4.14389943
  O     -1.02150358     -0.38012773      4.25164569
  H      2.39713638      0.93937810     -1.40849741
  H      3.57644087      2.28939533      0.18888797
  O     -2.72037027     -1.21461265      2.35898933
  H     -0.34464476      3.81044549     -1.99284837
  H      4.21102279      1.60416035      1.43482703
  O      3.83855616     -2.06035252      0.43594919
  H     -0.58136404      2.33172265     -1.59369881
  H      1.86600837     -2.07843820      2.84719120
  O     -0.47117781     -1.78994870      0.81458608
  H     -0.07814936     -0.55142556      4.18761552
  H      0.98090493     -2.59116724      1.69775375
  O      2.11332493      3.80133162      2.44564280
  H     -1.10349218      0.58362762      4.32366241
  H      0.33065991      1.38225890      1.35694612
  O     -0.38453257      3.10190763      1.47427983
  H     -2.15049877     -0.95313285      3.10614010
  H      1.46348517      0.87137813      0.44893806
  O      5.81202860      1.78248471      4.06292052
  H     -3.49557890     -1.62545312      2.73061534
  H     -1.03738429     -0.03276893     -1.91758996
  O      6.01645084      3.95626931      2.21489331
  H      3.13271970     -2.38576464      1.02244771
  H     -1.89790181      0.84032475     -0.95976027
  O      4.01637691      5.09883894      3.94096727
  H      4.41897922     -2.79940711      0.26917034
  H      3.57308229     -0.11293826      2.85783981
  O      1.85017677     -0.26709761      3.59513070
  H     -0.04341687     -0.92256449      0.89307324
  H      4.34065326     -0.67303838      1.64164405
  O      4.09801081      2.45442524      0.98794697
  H     -1.30459828     -1.73004535      1.29764830
  H      2.90750079     -1.26980772     -1.05836366
  O      1.82913692     -2.73356075      2.13974981
  H      2.64129172      4.43257192      2.95679324
  H      1.57993407     -1.20393250     -1.86667995
  O      0.88217994      0.61146789      1.17323852
  H      2.74224527      3.32315762      1.88853694
  H     -2.69774895      0.37613700      1.31965513
  O     -1.39897439      0.84980072     -1.79168576
  H     -0.36962358      3.23690365      0.51706059
  H     -2.13006920      1.80932089      1.19571202
  O      4.36373291      0.01570963      2.31739022
  H      0.44590504      3.47359610      1.81314276
  H     -0.61269665     -2.55029880     -2.33278608
  O      2.43867876     -0.78063717     -1.74535459
  H      5.45276404      1.07516014      3.51399927
  H     -0.36381270     -1.91671740     -0.94257490
  O     -2.56852143      1.10965535      0.70543938
  H      6.04385666      2.50046442      3.45957960
  H     -0.87389040      2.76276120      3.37046680
  O     -0.21836876     -1.79903363     -1.89687593
  H      5.36734215      3.48509877      1.66369169
  H     -0.00927039      2.42438453      4.59935833
  O     -0.90946499      2.37074779      4.24956095
  H      6.68068797      4.30141746      1.62414313
  H      1.96806337      2.75431450      3.94283939
  O      1.88272791      2.22944649      4.75212027
  H      4.77417487      4.87010659      3.38727917
  H      2.62770419      2.47768815      5.31271896
          69
 Energy    -248.26399184019940     
  O      3.74729225      1.24710438     -1.05597760
  H      3.60281005      2.07319819     -1.53386163
  H     -0.73408451      4.29133867      1.66742227
  O     -1.38816646      3.09835610     -1.22155580
  H      3.02810185      0.66003742     -1.33705370
  H     -1.26157194     -0.21893786     -3.05711195
  O     -0.14069391      0.91030398     -0.01431463
  H     -2.29965117      2.82670652     -1.06639188
  H     -0.58871125     -0.64489733     -4.37941993
  O     -2.72861431     -0.25297598     -2.08872834
  H     -1.14166777      3.74264314     -0.53832075
  H      2.05771278     -1.74270925      1.18524772
  O     -3.06548442      1.52494672      2.03173061
  H      0.52976603      0.56318810     -0.61675258
  H      1.38239799     -2.88575158      0.42155498
  O     -3.84705417      1.92170749     -0.55614159
  H     -0.56658828      1.66268267     -0.44537226
  H     -1.74724606     -1.60224907      3.27775560
  O      0.94532118      1.54759258      2.37539622
  H     -3.18434698      0.50494334     -1.70494944
  H     -3.28521713     -1.64121377      3.37858150
  O      4.70754833     -1.07047572      0.28585267
  H     -2.49947197     -0.81008352     -1.33157210
  H     -0.93758462      3.52731931      4.10101407
  O      4.64245465     -0.21709317      2.84970519
  H     -2.45947215      2.14311940      2.45959650
  H     -0.31202632      2.60104734      3.03113774
  O      1.92533089     -0.96064911      2.92374835
  H     -2.89418015      0.66420867      2.42888374
  H      3.61191750      1.81932686      0.67000195
  O      2.80471504      3.56725320     -2.30983163
  H     -3.59558151      1.76555534      0.37138684
  H      4.01450747      1.48358215      2.12274952
  O     -0.52460303      4.66675965      0.80643547
  H     -4.72775493      2.28719483     -0.54171739
  H     -0.23992724     -3.47210920      1.86766292
  O     -0.41340617     -0.24039609     -3.53376801
  H      1.83037641      1.86839313      2.15323613
  H     -0.78161138     -2.92066903      0.54867644
  O      2.09656054     -2.23676816      0.35604210
  H      0.50695063      1.34375070      1.53297358
  H     -0.23774652      2.82775319     -2.57891712
  O     -2.55948808     -1.16143267      2.98398219
  H      4.56267472     -0.29922802     -0.27852478
  H      0.22070008      1.62313319     -3.41959011
  O     -1.07885623      3.16549924      3.22985154
  H      3.93300659     -1.63638779      0.17211298
  H      0.58443906     -1.99329956      3.44456200
  O      3.53258685      2.12331234      1.58750011
  H      5.45929749     -0.36598093      3.31766458
  H      0.03044825     -3.05231532      4.42046055
  O     -0.21590564     -3.61614527      0.91574844
  H      4.76797152     -0.56179700      1.94614103
  H      0.99316241     -0.54291333     -2.35062419
  O      0.45883087      2.52433582     -3.18060995
  H      2.86825193     -0.79621135      3.04768277
  H      1.72001983     -1.17623931     -1.08881400
  O     -0.20276206     -2.52046691      3.66319467
  H      1.51252512     -0.09339645      2.79579395
  H      2.39987611      4.18726149     -0.53718068
  O      1.66013351     -0.40281287     -1.66726044
  H      1.97396682      3.19462355     -2.65634798
  H      2.75842943      3.77934040      0.90043872
  O      2.20977025      4.38378742      0.38869964
  H      3.12031572      4.18471798     -2.96421059
  H     -1.19065387     -0.55262183      0.19720562
  O     -1.73850563     -1.34919431      0.27203054
  H      0.44050991      4.63815114      0.71554550
  H     -2.16462950     -1.30081362      1.13510592
          69
 Energy    -248.26398952825696     
  O     16.41022135     10.63171343    -17.35001437
  H     15.56194082     10.83253513    -16.94145934
  H     19.64612419      6.35347066    -13.00841754
  O     16.73494321      5.51527812    -13.78543678
  H     17.00893288     11.37582229    -17.18098356
  H     21.55877924     11.26990946    -16.93609729
  O     17.60586539     14.27941369    -12.29591993
  H     17.04889971      5.59619157    -14.69827454
  H     20.56115589     10.49741126    -16.04155083
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  H     17.49262132     13.58944845    -12.96949055
  H     17.22440188      9.41326861    -16.23397127
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  H     17.68087769     15.10337682    -12.76985333
  H     14.26165611     10.93022554    -14.95283231
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  H     19.93224910     10.00216546    -13.72175152
  H     13.24335255     11.51247979    -15.95725114
  O     17.43026774     12.04023309    -13.91386834
  H     19.18944231      9.34728313    -14.92379686
  H     18.13049739      7.62928581    -11.70486166
  O     20.57536186      6.85638822    -14.38763864
  H     14.98816402      7.16835806    -17.54112840
  H     16.88611351      8.29159596    -12.31350968
  O     20.26182553      6.14595196    -17.14819860
  H     14.89249632      6.12562439    -18.67760742
  H     14.55117934      7.88088628    -15.37184724
  O     17.58074969      6.14814597    -16.38512459
  H     16.48731283      9.86887452    -10.81240024
  H     13.98164301      8.99904664    -16.24857194
  O     19.08878418      6.11992721    -12.24442973
  H     16.67170042     11.36370757    -10.51522953
  H     18.49153669     12.93349393     -9.48950310
  O     20.65791706     10.95823623    -16.89265355
  H     15.90738557      7.06983291    -13.70032893
  H     18.01253125     13.23904753    -10.92877081
  O     17.61525237      8.83070190    -15.56928670
  H     16.39243754      8.36994705    -14.39950075
  H     18.63968800      9.83688314    -11.97098436
  O     13.98296277     10.91425295    -15.88309235
  H     18.06648069     11.53114790    -13.39379131
  H     19.01861993     11.25845166    -11.47902905
  O     17.57083993      8.41482093    -11.64436651
  H     16.57960344     11.59669587    -13.80815505
  H     20.16804134      9.39315159    -17.94565731
  O     14.17536145      8.05461725    -16.24247166
  H     20.53624094      6.53682961    -15.29637780
  H     19.04299691      8.61140392    -18.67891115
  O     18.22253920     12.52145303    -10.30618712
  H     20.55179307      7.82090537    -14.44495256
  H     15.13030688      9.70484415    -13.46875611
  O     19.15996880     10.62444552    -12.19200238
  H     20.82231042      5.60041252    -17.69239705
  H     15.21342245     10.81286434    -12.40129601
  O     19.93510569      8.53272227    -18.30762404
  H     20.20149652      7.01518715    -17.58797544
  H     18.04116846     12.38392303    -15.64041320
  O     15.02149999     10.65803242    -13.33788290
  H     16.94118768      6.19734123    -17.10719196
  H     19.10335295     12.06125901    -16.72493815
  O     18.24771866     12.48413144    -16.58019627
  H     18.46539051      6.02093585    -16.75126197
  H     16.94635414      9.46361481    -18.65750676
  O     17.30751043      8.70733245    -19.14166267
  H     19.59736873      5.51662150    -11.70910389
  H     16.69564730      7.98313874    -18.97037419
          69
 Energy    -248.26387129869303     
  O     14.14155232      2.92025554    -10.91610149
  H     14.19046586      1.97081598    -10.74845332
  H     17.58795868      5.61894103    -14.21436622
  O     12.20295068      3.34260431    -12.88751556
  H     13.49319802      3.03895242    -11.62613772
  H     15.53271685      9.78200667    -10.34257555
  O     16.58760831      3.26856995    -12.25058697
  H     11.59889594      3.91813544    -12.40253123
  H     14.34308656     10.55388735     -9.72206190
  O     11.64531152      7.02494478    -13.51572678
  H     12.63017692      3.89831390    -13.55331139
  H     14.36661385      7.26217496    -12.43171682
  O     12.89642863      0.63855847    -13.39517349
  H     16.98578522      4.14110690    -12.15720555
  H     14.23987501      6.03678305    -11.48561852
  O     14.34384392      0.13071967    -10.95307383
  H     15.78439084      3.24974197    -11.71095546
  H     12.40261730      5.43132516    -10.39683374
  O     17.62908714      8.87702990    -13.15056834
  H     12.16563902      6.46521615    -14.10231619
  H     13.60742266      4.48101785    -10.14303106
  O     17.23179902      9.57044172    -10.52426214
  H     12.21805160      7.76468734    -13.26857313
  H     14.92005134     -0.12119064    -15.75794259
  O     13.64513747      5.11669343    -14.52708046
  H     13.23653752      0.37495632    -12.53115715
  H     14.22292287      0.53140905    -14.53851326
  O     15.36577522      9.54756466    -14.78059086
  H     12.50598887      1.51396611    -13.27624778
  H      9.94569944      5.54816366    -11.24526711
  O     15.27434098      7.11125645    -15.89075815
  H     15.16106966      0.15423634    -11.48361707
  H     11.06797385      6.04271258    -12.19076401
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  H     14.41507664     -0.61633286    -10.36569933
  H     16.41680001      6.16039686    -12.33543068
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  H     16.90938374      9.10028031    -13.75310676
  H     17.64105216      6.27980536    -11.39829234
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  H     17.63322531      7.91859312    -13.06642212
  H     15.97484042      3.24160116    -13.96191126
  O     13.29644340      5.39150506    -10.03413550
  H     17.53371787      8.75335833    -10.11273817
  H     15.46514014      2.33431644    -15.10567680
  O     15.04154812      0.52343340    -15.06629396
  H     17.43348144      9.46791212    -11.46706870
  H     16.74675065      1.37777316    -12.45620111
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  H     14.02804610      5.55025507    -13.74643357
  H     16.15383926      0.38950094    -13.48261986
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  H     14.28942571      4.44640678    -14.80096638
  H     14.78763859      8.08927249     -9.30322606
  O     15.64496695      3.25265263    -14.87291901
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  H     14.39343385      6.60036445     -9.16705054
  O     16.49342212      0.45335358    -12.58108406
  H     15.43525944     10.23174825    -15.44079382
  H     16.75133628      6.93590154     -9.32661765
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  H     18.18544535      6.58663102     -8.86176342
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  H     13.88733413      9.27654137    -11.87207124
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  H     16.92433275      4.64963674    -15.21110604
  H     14.19570710      9.23457854    -13.40751669
          69
 Energy    -248.26378280950638     
  O     12.51103539     11.04682229    -16.55838959
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  H     13.95236017      6.30431892    -15.14435836
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  H     13.26502000     10.16372164    -10.14324340
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  H     15.45795873      6.53517912     -8.96959923
  H     14.03136685     11.84997612    -14.25356114
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  H     12.00513571      9.69147792    -15.44564535
          69
 Energy    -248.26356929914635     
  O     -0.14634563      0.58459135      2.03964471
  H     -0.19837142     -0.24115136      2.53957671
  H      0.13283083     -2.38941333      3.11731144
  O     -1.26255541     -2.30298711      0.07837997
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  H      3.41866734      1.81643879      2.83009165
  O      4.67028943     -0.94582017      2.97188420
  H     -0.78734302     -1.71757347     -0.52778946
  H      4.08522905      2.36398024      1.53526659
  O     -3.53765982     -1.34673783      1.12373803
  H     -0.60256845     -2.78632693      0.58701910
  H      1.51567842     -3.14535155      1.52595354
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  H      4.56889860     -0.03921196      2.63765626
  H      0.83432534     -4.51029439      1.78484557
  O      0.13401434     -0.45616865     -1.51428696
  H      5.56332493     -1.01859382      3.29961108
  H      0.45747560      4.02438702      1.18369423
  O     -2.75115293     -0.69589893      3.81191822
  H     -4.27481033     -1.88178330      0.84392079
  H     -0.66011115      4.95769285      1.74258916
  O     -2.30148093      5.51641075      1.39038464
  H     -2.73458593     -1.74961160      0.74239798
  H      1.83566235      4.88338631      2.76903501
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  H      3.25076222      4.69661481      2.22354510
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  H      0.91404522     -0.20478605     -1.00523474
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  H      2.75321801      0.77813557      0.96039948
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  H     -2.80858850      4.72672157      1.64839465
  H      1.23254829      0.44219792      1.01783489
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  H     -2.89313663      6.25665989      1.49170504
  H     -1.72466292      2.57714616     -2.25238160
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  H     -3.36429757      1.93426975      5.42510291
  H     -1.66049550      1.85378982     -0.88827949
  O     -2.40341796      1.13434309      0.54402763
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  H      1.47057912      2.36339161      4.26187938
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  H     -0.25789332      3.33615572      3.29416568
  H      2.68741590      3.25627118      4.00644061
  O     -1.12049566      2.18681005     -1.62598839
  H     -1.19011075      2.45954911      4.21433503
  H      4.24362930      4.33819566     -0.23141275
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  H      3.58769730     -1.92852140      1.75900398
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  H      2.60907055     -1.36466850      0.72360931
  H     -3.20525793      2.50016179      1.51289251
  O     -3.51719298      3.18897989      2.11450652
  H      0.71517352     -1.30239118      4.07654377
  H     -3.43019549      2.81437717      2.99882567
          69
 Energy    -248.26351383839250     
  O     16.71900877     12.23313744    -14.45946369
  H     15.89161855     12.56592793    -14.09411180
  H     13.72007688      6.17847160     -8.53502060
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  O     11.79208575      8.46966793    -12.50327448
  H     15.59214438      6.37935479    -13.18678018
  H     16.56454081     11.95758090    -11.16473877
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  H     14.57212275      6.24821096    -12.02089039
  H     15.24454522      9.52212232    -11.43921408
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  H     11.23652733      8.08750452    -13.19518058
  H     16.90746023     10.91588987    -15.56397217
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  H     17.50019099     10.38128616    -16.88838199
  O     13.39686811     10.40935283    -13.74875097
  H     15.70925503      8.98668171     -9.58606500
  H     12.22342432      5.06274772    -13.10995009
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  H     11.25951474      5.52371120    -14.21049417
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  H     12.50168805      7.96838733     -9.37611600
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  H     12.15467134      8.81282766    -10.62404448
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  H     15.09672577      5.81453717    -15.35047606
  H     12.50061217      6.88599258    -11.92019751
  O     17.02879320     10.11435188    -16.10344858
  H     13.51073780     11.35410416    -13.59709761
  H     12.76827700      5.95904832    -10.69430197
  O     11.87234515      4.81577668    -13.97648902
  H     14.13848851      9.99019446    -13.27775353
  H      9.62908097      7.36613919    -15.07587012
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  H     11.13867379      7.29254860    -15.40446630
  O     12.54354010      8.86009070     -9.74206469
  H     13.70017914      3.88823910    -16.40768088
  H     14.04029834      9.49933175    -15.20316365
  O     12.83979612      6.01780115    -11.65454823
  H     15.84962861      6.45365715     -7.19480524
  H     15.33427769      9.36551433    -16.04833858
  O     10.48718428      7.23211911    -14.68243640
  H     16.02509718      6.66443899     -8.70568227
  H     14.76247522     12.76318840    -12.17531860
  O     14.49116904      8.93878249    -15.84977576
  H     16.40577213      7.00091749    -10.79170235
  H     13.97338574     13.86080950    -12.92160995
  O     14.32362628     12.97910556    -13.01751139
  H     17.67721779      7.80107267    -10.49589157
  H     18.36075325     10.19905721    -12.02089889
  O     17.69586988     10.85236613    -12.25824400
  H     12.30452353      5.65033335     -8.20342580
  H     16.89244275     10.32782371    -12.41046197
          69
 Energy    -248.26347414550105     
  O     -1.56208532      3.96776389      4.14810396
  H     -1.94670542      3.18846303      3.72313896
  H     -3.31836695      5.01325760     -0.55769772
  O     -2.89363781     -1.98680763      0.53427246
  H     -1.94667594      4.72179132      3.68685847
  H     -2.75932131      0.68606303     -2.58174302
  O     -2.44245122      5.09612496     -2.25916710
  H     -2.32451974     -1.60467083      1.21369992
  H     -3.82767931     -0.29575250     -2.05189906
  O     -3.85408973      2.03335294      0.13859746
  H     -2.32173844     -2.16126813     -0.22382717
  H      0.24217252      3.71762237      4.02618525
  O      1.95641811     -0.78295239      2.05951548
  H     -1.53137484      5.37682460     -2.05805783
  H      1.55661271      4.41165024      3.56181827
  O      2.35760451      4.11684215     -1.80600528
  H     -2.75061732      5.64968849     -2.97158626
  H     -1.01329739      6.08996896      1.65633668
  O     -0.12684343      3.06053145      1.29704604
  H     -4.35698754      1.22550822     -0.01941522
  H     -0.19700971      4.87213292      1.17289393
  O     -4.92913542     -0.48367033     -0.46494747
  H     -3.22176074      2.10950100     -0.59101511
  H     -2.96795078      1.89769345      1.71271137
  O     -0.97203247     -0.54522563      2.05147618
  H      1.57905551     -0.74008214      1.16547313
  H     -1.94019688      0.97735746      2.43166074
  O      0.51481090     -0.49239889     -0.31057811
  H      2.54837663     -1.53175771      2.06496642
  H     -2.26649524      3.25537732     -2.22639609
  O      2.93818094      1.88968418      2.39489324
  H      2.71838135      4.10911687     -0.89930233
  H     -1.17972563      2.23506189     -1.79459224
  O     -3.70648169      4.84190453      0.30871656
  H      3.10083199      4.20530349     -2.39580270
  H      1.33789388      6.05554484      2.10828356
  O     -3.08071331     -0.22326648     -2.65833081
  H      0.48971831      3.10309317      2.03958270
  H      2.41846799      6.84418318      2.88587632
  O      1.16071132      3.55471233      3.76278518
  H     -0.94983883      2.69996748      1.65193266
  H     -3.27556864      6.73998372      2.78656780
  O     -0.19173159      5.84109430      1.21479403
  H     -4.25895062     -1.05207067     -0.04474202
  H     -3.09265655      5.63442684      1.72117734
  O     -2.35246290      1.85120544      2.45723348
  H     -5.76832683     -0.92391335     -0.36236769
  H      0.31859383      2.45516912     -0.27193909
  O     -2.11394884      2.32262119     -2.02977940
  H     -0.18646955     -0.72036633      2.57605591
  H      1.18071238      2.70687505     -1.53168184
  O      2.16976577      5.96787016      2.60417705
  H     -0.61934374     -0.42044268      1.15671720
  H     -1.88540414     -1.39445924     -2.20793796
  O     -2.66236948      6.08076898      2.47340463
  H      0.58103997      0.39150782     -0.69907232
  H     -1.14468731     -2.72579331     -2.48137333
  O      0.51190072      2.11885989     -1.16303757
  H     -0.00136854     -1.04635290     -0.90904040
  H      3.03518900      4.77180543      1.34564553
  O     -1.25420074     -2.03550165     -1.83316289
  H      2.62114235      0.98222407      2.33169063
  H      3.23371921      3.24552855      1.23569478
  O      3.25129643      4.06855420      0.72429492
  H      2.39888827      2.32485657      3.06946497
  H      0.86179903      5.28802189     -1.72072544
  O      0.06565530      5.81166236     -1.57182282
  H     -3.92136678      3.90056871      0.31983979
  H      0.01844568      5.96668103     -0.61852012
          69
 Energy    -248.26333294594761     
  O     -0.60864606     -1.15144371     -3.77790933
  H     -0.90457864     -1.84037704     -4.36644600
  H     -1.14528414      4.28594091     -0.02041932
  O      0.82459095      2.94405611      2.84036355
  H     -0.10164900     -1.58515181     -3.06671985
  H      1.95642502      4.27965628      1.96775538
  O      1.38792358      3.37507064     -3.92497064
  H      0.57925726      2.30836875      3.52507958
  H      2.37818113      4.63614820      0.51991529
  O     -3.80366193      1.92279010      1.92918000
  H      0.03559440      3.04563809      2.29073411
  H      1.24791218     -1.21865929      2.28807004
  O      3.06246347      1.42388962      2.04682861
  H      1.46646221      2.40946347     -4.02653080
  H      2.33760981     -0.18235972      2.67042555
  O     -1.97226087      0.72303204     -2.21360317
  H      1.67389469      3.75996642     -4.74926022
  H     -2.92673513     -1.40789761      0.95755193
  O     -2.47130058      0.16112756      3.46086594
  H     -3.36795094      1.30679409      2.54819634
  H     -3.10754593     -2.77973313      1.65191843
  O     -0.16140964      0.93537328     -0.14490350
  H     -4.61915710      2.19703991      2.33889562
  H     -0.46416626      3.32274741     -3.42569391
  O      2.51275597      1.53384089     -0.63717536
  H      3.83115255      1.99993437      2.16678101
  H     -1.33006098      3.89231153     -2.29345398
  O      0.11053321      0.75906594      4.51113316
  H      2.28911249      1.94121810      2.31581415
  H      2.20397018      0.24344375     -3.61106197
  O      4.91629965      3.44279561      2.19028778
  H     -1.59833323      0.08370152     -2.83287501
  H      0.77023110      0.11018969     -4.15121740
  O     -0.92305000      4.91939972     -0.72431526
  H     -1.83987519      1.61184429     -2.57686438
  H     -3.10781395      0.15576562     -0.85981471
  O      2.61049349      4.76373925      1.44758202
  H     -1.59787265      0.34121333      3.82873696
  H     -3.73985699      0.62173859      0.47752402
  O      1.71844082     -0.82860613      3.03677137
  H     -2.40812820     -0.65840764      2.95484278
  H      1.77967522     -1.72715327     -1.89323130
  O     -2.53382808     -2.01975463      1.60708389
  H     -0.72519059      0.83937150     -0.92567436
  H      0.68269740     -2.10742311     -0.86827559
  O     -1.34043284      3.26469176     -3.02605965
  H      0.74032407      1.13177628     -0.42786314
  H      3.03308955      0.21339527     -1.64441385
  O      1.54212558      0.68852529     -4.15484123
  H      2.33437146      2.46232747     -0.83521170
  H      4.16339032     -0.71191225     -2.15432123
  O     -3.56592017     -0.15458084     -0.06723714
  H      2.78234689      1.47167955      0.29081500
  H      0.83749360      4.44221354     -1.03975207
  O      0.92486384     -2.16617401     -1.80152768
  H      0.29575389      0.64163108      5.43935375
  H      1.73571879      3.95744619     -2.19011428
  O      3.22916637     -0.53764734     -2.23198558
  H      0.68293182      0.13346890      4.03041164
  H      0.01629123     -0.69892641      0.55791632
  O      1.73175923      4.13384537     -1.23934474
  H      5.50041482      3.98620035      2.71204935
  H     -0.74434191     -1.91026546      1.13641451
  O      0.12980014     -1.61650690      0.85102486
  H      4.18296069      4.02112720      1.91838001
  H     -0.96321543      2.23034565      0.71087508
  O     -1.37659889      3.00011677      1.13517337
  H     -1.21525605      5.77790643     -0.42948466
  H     -2.25577815      2.72877793      1.42558377
          69
 Energy    -248.26332506307128     
  O      0.98684391      0.32148407      4.44306147
  H      1.68807710      0.45130058      5.07557375
  H     -5.24105079     -0.98595091      3.85800840
  O      0.08773213     -0.64767848     -3.32225755
  H      0.37030332     -0.32601944      4.83402802
  H     -4.41911401      3.14166510      1.78112657
  O     -0.83638243     -1.36359159      5.48312530
  H     -0.72815734     -0.46135760     -2.83724071
  H     -4.47596239      4.22948315      0.68160468
  O     -1.92333264     -0.12776798     -1.41648857
  H      0.35561028     -1.53579113     -3.05316025
  H     -3.27096305      0.79906341      6.14485013
  O      0.98859032     -3.06099879     -2.06991138
  H     -1.58323667     -0.89923659      5.89073723
  H     -3.70035710     -0.58166184      5.62915915
  O      2.49034161     -1.35813593     -0.56289687
  H     -1.21897970     -2.13559527      5.05607434
  H     -2.10543644      3.36263877      1.17097180
  O     -5.09764619      2.49789102      3.24724992
  H     -1.24076952      0.35434116     -0.92656483
  H     -0.76878174      2.64370914      0.82119820
  O     -2.47161343     -3.36453807      4.09210212
  H     -2.76462229      0.17041977     -1.05125395
  H     -3.53923316      0.43972980      0.91953087
  O     -1.21730451      1.94198898      3.78573545
  H      1.51451248     -3.79659192     -2.37140853
  H     -4.08821880      1.72078303      0.25410740
  O      1.93005002      0.97158961     -2.15405838
  H      1.56401776     -2.52075615     -1.49941644
  H     -2.11640531      0.61661306      2.84120804
  O     -6.67207523      0.06738124      3.26005033
  H      2.47459373     -0.53842893     -1.07233043
  H     -1.98808304     -0.79304118      2.17011604
  O     -4.36139924     -1.34267029      4.02362307
  H      2.13750833     -1.13668420      0.30917806
  H     -0.66863023     -3.03401082     -1.15970787
  O     -4.02030358      3.43308713      0.94060222
  H     -4.55772976      2.52011572      4.04736149
  H     -1.71856451     -1.92409111     -0.97056094
  O     -3.18031441     -0.14561293      6.31693142
  H     -5.63879442      1.70227386      3.29709448
  H      0.42883951     -1.27541433      1.83241707
  O     -1.18353889      3.26440966      1.43687882
  H     -2.77758966     -4.18923712      4.46083503
  H      1.21629071     -0.24621925      2.67430575
  O     -4.04715551      0.76101751      0.15732879
  H     -3.22934346     -2.75613998      4.10266827
  H     -3.07938270      3.34152963      5.93777021
  O     -2.59410822     -0.06026780      2.34635780
  H     -0.38541238      1.50413221      3.99810932
  H     -2.50361108      2.38221838      4.86854002
  O     -1.47476849     -2.81288936     -0.67659549
  H     -1.10459529      2.48865737      2.99135705
  H      0.43581030      0.65346204      0.61698399
  O      1.10933064     -0.58671185      1.77889222
  H      2.40426789      1.51951718     -2.77275737
  H      0.75307358      1.31777595     -0.74921150
  O     -3.28338918      2.56455731      5.42337663
  H      1.30033415      0.43796812     -2.67237069
  H     -1.22622651     -2.60602131      1.03806112
  O      0.08731562      1.25956744     -0.05219523
  H     -6.66287998     -0.14765237      2.31065926
  H     -1.46774003     -2.84820780      2.58078946
  O     -1.01295095     -2.29855008      1.93362077
  H     -7.58695261      0.09313996      3.52829840
  H     -5.62019658     -0.05367143      0.36007135
  O     -6.45036421     -0.49231300      0.60883124
  H     -3.76401713     -0.85113072      3.43732221
  H     -6.56013586     -1.21507513     -0.00383511
          69
 Energy    -248.26319462912841     
  O     -5.84147390      1.77143309      0.88711681
  H     -5.08795014      2.34972048      0.71862261
  H     -3.24154753     -1.12406459      4.06046639
  O     -5.45132575      2.25931292     -3.33311810
  H     -6.02240557      1.81129667      1.83504219
  H     -0.21468296      2.30879592      3.14534497
  O     -5.97507291      1.80180807      3.68957370
  H     -5.62662353      2.66777274     -4.17785701
  H      0.96777878      1.80552134      2.32273486
  O     -0.65383805     -1.71636929      2.11807667
  H     -4.66558255      2.70328724     -2.97359668
  H     -0.13574361      3.64761906      1.32037408
  O     -2.73333362     -1.71443812      0.18111626
  H     -5.20959308      2.40400378      3.65567689
  H     -1.51772934      3.85095044      0.64033953
  O     -4.99583694     -0.58456711     -3.17168222
  H     -6.59076296      2.16979229      4.31738174
  H     -3.43686189      3.37387472     -0.49325098
  O     -5.37859795     -0.99775914      0.65744543
  H     -1.15543829     -1.61556528      2.93620851
  H     -3.03374627      2.35531509      0.60378944
  O     -2.54346953     -1.53475817     -2.60663060
  H     -1.31246121     -1.88045971      1.43032492
  H      0.12375702      2.41028844     -0.30770509
  O     -3.15329497      3.34578980     -2.30931368
  H     -3.67890045     -1.59023970      0.34555377
  H      0.74042480      1.01261313      0.02528277
  O      1.33900438      0.06452666      1.50611707
  H     -2.61399643     -1.73177149     -0.77795904
  H     -8.02657083     -1.69890940     -1.66555436
  O     -1.58773046      1.16502748     -2.70750384
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  H     -7.38509670     -0.30275461     -1.46723383
  O     -2.32952046     -1.20834306      4.39296219
  H     -5.75030598     -0.90174970     -2.66095239
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  O      0.54497330      2.61569566      2.63123925
  H     -5.45295779     -0.03373532      0.70369928
  H     -1.91968482      0.58681833      4.01401565
  O     -0.57013924      3.97935490      0.51896918
  H     -6.01680858     -1.27374679     -0.01079067
  H     -5.08039369     -1.04762044      2.53319961
  O     -3.43961028      3.22859424      0.46276311
  H     -3.43774659     -1.22597317     -2.84225575
  H     -5.24950256      0.03352352      3.61799275
  O      0.22389011      1.50329907     -0.62779530
  H     -2.28152204     -2.15972777     -3.27753942
  H     -2.38253093     -0.00121220      0.61742401
  O     -7.19973245     -1.25999799     -1.48689830
  H     -2.61178553      2.55792169     -2.48739569
  H     -1.32950063      1.08711711      0.29549103
  O     -1.80674026      1.41718154      3.53811373
  H     -2.55221432      4.10266531     -2.30739101
  H     -6.81520858      1.80989030     -2.09271832
  O     -4.83825400     -0.82104518      3.43950379
  H      2.16711602     -0.39695343      1.61003524
  H     -6.96515805      1.64784699     -0.56837877
  O     -2.12730171      0.90898924      0.80955439
  H      0.63906268     -0.57060097      1.73876153
  H     -3.69838877      3.56100539      2.39069839
  O     -7.39043409      1.43836276     -1.41191435
  H     -0.83750222      1.23668523     -2.10126677
  H     -3.06417291      2.74221976      3.53203855
  O     -3.79084354      3.34951646      3.32657954
  H     -1.85584592      0.23987262     -2.69845244
  H     -0.72025291      6.06404155     -2.08318670
  O     -1.22056667      5.28017570     -1.87105943
  H     -2.38013260     -1.69911092      5.20860437
  H     -0.84293993      4.93723510     -1.04659879
          69
 Energy    -248.26308499416143     
  O     -5.97898364      4.23157754     -1.10776014
  H     -5.98449403      3.56535984     -0.40495214
  H     -4.34867837     -0.02882826      2.34612118
  O     -2.06033216      3.50953769     -3.64683664
  H     -6.77648609      4.08313732     -1.61156167
  H     -0.56596696      0.59620175      2.00744256
  O     -5.57046228      2.21066988      0.77367950
  H     -2.51022825      4.05700811     -2.97597082
  H      0.57577652      1.55594528      2.36808667
  O     -3.27361576     -0.88737886      1.10914105
  H     -2.04049469      4.02230427     -4.45029951
  H     -1.28843882      4.03185419      0.59618043
  O     -0.33970035     -0.40131941     -1.67760337
  H     -5.55356984      1.65373678      1.56599292
  H     -0.69365296      2.68738230      1.16656936
  O     -3.80102416      1.37561685     -2.89297556
  H     -4.69970415      2.08400596      0.36007407
  H      2.36832484     -1.30480185      0.41885451
  O     -4.75777748     -2.03745840     -0.97195784
  H     -3.71650522     -1.41414027      0.43103921
  H      2.81390258     -2.15237952      1.63563102
  O     -2.69565118     -1.20704967     -2.80259144
  H     -2.33740326     -1.12742192      1.13105025
  H      2.38897172      1.71345983      0.81883352
  O      0.00029472      2.38570696     -2.06872840
  H     -0.28683233      0.54091455     -1.87951055
  H      2.36149798      0.45989636      1.70966108
  O     -0.52907252     -0.96983028      1.01220670
  H     -1.12042676     -0.75720920     -2.12619588
  H     -2.37416566      2.20649294      4.86350135
  O      2.39439219     -0.80763552     -1.25339858
  H     -3.30336245      2.06373539     -3.34592335
  H     -1.79538492      1.89326273      3.46881161
  O     -4.83260969      0.61796072      2.88017825
  H     -3.53108305      1.44035206     -1.96165879
  H     -6.07253986      0.92928977     -0.71590829
  O     -0.38191646      1.43346490      2.45552365
  H     -5.28462606     -1.23949689     -1.15473335
  H     -5.42245997      0.76114726     -2.10667978
  O     -0.92597750      3.16828032      0.36183378
  H     -5.35250636     -2.78010352     -1.03557110
  H     -2.36957335      2.11566127     -0.00656346
  O      2.23649415     -1.44030474      1.37524203
  H     -3.34468309     -1.65054902     -2.24513784
  H     -3.07222883      0.72518303      0.23822944
  O      2.24798650      1.41921492      1.72666278
  H     -3.08620225     -0.34737817     -3.01306454
  H     -2.93860567      5.09779087      1.42142236
  O     -2.60240771      2.16017811      3.93776853
  H     -0.29440808      2.71279042     -1.20336847
  H     -2.15346843      6.41653021      1.20973663
  O     -6.02438886      0.34014612     -1.47619191
  H     -0.61492757      2.74675912     -2.71771354
  H     -2.98048635      5.22646310     -0.91442173
  O     -3.12313322      1.56275435     -0.24159357
  H     -0.48783820     -0.76358973      0.06501376
  H     -4.27908767      4.72224534     -1.58076509
  O     -2.28523144      5.54330156      0.85153480
  H      0.35316425     -1.26818491      1.26218825
  H     -3.51274342      3.47630793      2.95789385
  O     -3.34813559      4.92367489     -1.75125623
  H      2.63696530      0.12631306     -1.27707398
  H     -4.63794078      3.57246820      1.90967958
  O     -3.96733543      4.09030296      2.36634974
  H      1.47039544     -0.83190176     -1.54140772
  H      1.71780281      2.20853732     -1.52544798
  O      2.57786841      2.04617766     -1.10495187
  H     -4.15082395      1.09381274      3.36782121
  H      3.18707820      2.67616795     -1.48273391
          69
 Energy    -248.26301736991635     
  O     -0.41520032     -3.95656559     -6.90441898
  H      0.22591522     -3.23956285     -6.80596219
  H      0.67437504      0.91481489     -4.94814221
  O     -3.04341596      1.35056996     -1.08371960
  H     -1.25310220     -3.58417061     -6.60148594
  H     -2.72125127     -0.07381729      0.18312483
  O     -0.14563930      3.61729455     -3.89762373
  H     -2.37481434      2.05473753     -1.06609692
  H     -2.75699567     -1.58654854     -0.07556850
  O     -2.19959712      2.16679251     -4.92283052
  H     -3.65179921      1.52242033     -1.81170083
  H     -0.86741724     -0.32794413     -4.16076908
  O      1.31915437     -1.92337889     -5.97612483
  H     -0.92819790      3.17071294     -4.26964327
  H     -0.05485244     -0.92680068     -5.38467778
  O      1.07871747     -2.53296763     -1.93952607
  H     -0.20159551      4.53341301     -4.15755897
  H     -2.17438779     -1.65946118     -1.96579439
  O     -0.98637404     -3.89564429     -3.31497031
  H     -1.82434428      1.31583188     -5.17863072
  H     -2.32717326     -3.16773983     -2.17478217
  O      0.16204867     -1.66105970      0.63924926
  H     -3.03005485      1.96938507     -4.47151612
  H      3.22763594     -0.61471721     -3.05155241
  O      4.35227691     -1.53659954     -4.12981833
  H      2.00836143     -1.30946181     -6.25599653
  H      2.11816733      0.42989602     -3.34150296
  O      2.44274659     -3.68697042     -4.10400622
  H      1.71410364     -2.50700683     -5.31349019
  H     -3.93510739     -1.75031980     -4.48750402
  O      0.86524654      0.75017263     -0.63763463
  H      1.50650245     -1.70996548     -2.21717289
  H     -4.04197178     -1.70538218     -2.96848901
  O      1.43783741      1.46829975     -4.73347136
  H      0.77705975     -2.38443149     -1.03527094
  H      3.67272560      0.57991823     -7.01207486
  O     -2.45795585     -0.92273918      0.56191600
  H     -0.53182307     -4.60394777     -3.78477679
  H      2.71890002      0.70475979     -5.80231563
  O     -0.73707994     -0.28957513     -5.12421012
  H     -0.30237539     -3.39184869     -2.85111699
  H     -0.39555930      0.05153670     -1.89252470
  O     -2.75713084     -2.40872216     -1.76372265
  H      0.37802169     -2.00081721      1.50384434
  H     -1.87422318      0.38145108     -2.09728632
  O      2.44557214     -0.18728036     -2.67533500
  H     -0.77661140     -1.40269429      0.66852231
  H      0.20802637     -5.12318091     -5.74516639
  O     -4.39178723     -1.29539973     -3.77052260
  H      4.16802318     -1.06304232     -4.94995809
  H      0.53572605     -6.53866938     -5.20820065
  O      3.26916936      0.08223857     -6.30512810
  H      3.90672216     -2.39100832     -4.19971234
  H     -0.17228769      2.30723053     -0.87441836
  O     -1.15807625     -0.17298764     -2.43801214
  H      1.95385192     -4.46829484     -4.39212019
  H     -0.54935479      3.23964949     -2.04309642
  O      0.56080072     -5.61335854     -4.98077232
  H      2.06456567     -3.42567504     -3.25250547
  H     -4.53775151      0.43285309     -3.62348224
  O     -0.82589042      2.95927815     -1.16339611
  H      0.72054665      0.00334729     -0.04287376
  H     -5.42829747      1.69595286     -3.66340841
  O     -4.53593925      1.39971584     -3.50350268
  H      1.60386005      0.51278540     -1.21584438
  H     -1.97093155     -1.71755058     -5.44508205
  O     -2.41452857     -2.57430532     -5.40128801
  H      1.07064368      2.30657452     -4.42576271
  H     -1.99072469     -3.04450098     -4.66775386
          69
 Energy    -248.26301171285235     
  O     18.72165322      9.85493288    -14.17715331
  H     18.14406184     10.54341441    -14.52675030
  H     17.06279654      7.87085905     -9.21945956
  O     14.69091798      6.94380743    -11.02597966
  H     18.66533738      9.92276597    -13.21456981
  H     11.66892741      9.30239043     -9.69219538
  O     12.54530358      9.41756170    -14.07521384
  H     13.77852689      7.05996397    -11.32416662
  H     11.16924384      8.01445951     -9.02382770
  O     13.47544602     11.17317076    -12.10739299
  H     15.09510443      6.32030508    -11.64369078
  H     14.87239448     12.30872674    -12.53912092
  O     18.75027693      7.50879214    -10.11302009
  H     13.44704086      9.46164276    -14.42439038
  H     16.22885423     12.65137515    -11.88949822
  O     13.49395531      5.88955505    -16.26631941
  H     12.02354651      8.95297785    -14.74393516
  H     15.30985100      8.49108080    -11.69676808
  O     15.61171540      5.30856705    -13.08907033
  H     13.03085151     11.11750564    -11.25330161
  H     14.91618018      9.98017057    -11.95852386
  O     15.23549314      9.46360970    -14.81265147
  H     12.96882020     10.66059811    -12.75204642
  H     18.70378739      8.20496070    -14.70592471
  O     15.15297048     10.65478689     -8.93597772
  H     19.46372338      7.08059577     -9.64788139
  H     19.46681834      7.08440524    -15.45015903
  O     12.91626786      4.95929096    -13.56471005
  H     18.56036545      6.96141778    -10.89643833
  H     17.36034527      5.65785778    -12.50957241
  O     12.54474290     10.89926530     -9.46009495
  H     13.61654877      5.24472702    -16.95950662
  H     18.45439816      6.47590236    -13.21627747
  O     16.16564279      8.07677944     -8.93444620
  H     14.37915787      6.21832603    -16.03973088
  H     11.73881150      7.69550113    -11.41923782
  O     11.23046447      8.45668983     -9.86814732
  H     15.74832896      5.86346341    -13.86857302
  H     12.30291689      8.05942771    -12.82572863
  O     15.73609950     12.70629300    -12.71680146
  H     14.70136064      4.98673556    -13.16478737
  H     10.59060381      7.20388466    -15.80856112
  O     15.59406934      9.31124687    -12.12097508
  H     15.44023967      9.34655782    -13.87006119
  H     12.09239678      7.10695748    -16.11165701
  O     18.67480398      7.26197102    -14.94966596
  H     15.70196906     10.26226805    -15.08419726
  H     17.65314000     11.41953462    -10.66261824
  O     18.20479496      6.10306139    -12.36252529
  H     15.53111889      9.76450150     -8.87517970
  H     17.84777655     12.72688842     -9.86045238
  O     12.19699057      7.33746669    -12.19295068
  H     15.82437915     11.21802301     -9.33376025
  H     15.64624301      7.81179151    -15.28730476
  O     11.37711529      7.73321974    -15.92646098
  H     12.54817138      5.71979154    -13.09285840
  H     16.89544395      6.91660185    -15.40109896
  O     17.19034294     12.19579960    -10.30296246
  H     12.97749623      5.22256319    -14.48995717
  H     16.87089367     12.51000491    -15.65470307
  O     15.93094457      6.89625759    -15.43228955
  H     13.48350605     10.79934256     -9.21235265
  H     16.43272898     12.16403061    -14.21261708
  O     16.78817476     11.78769450    -15.03832423
  H     12.20170590     11.63100860     -8.95410612
  H     17.25610060      9.68542138    -11.67582614
  O     18.16870072      9.90390293    -11.42173011
  H     15.58840456      7.57664851     -9.52814682
  H     18.49810256      9.14760784    -10.92086230
          69
 Energy    -248.26287591302761     
  O     -7.89658911      2.87217661     -0.22856691
  H     -7.10068010      3.32778049     -0.55712860
  H     -6.25977555      0.30116330      2.68632167
  O     -4.13861101      2.78847160     -3.15415062
  H     -8.60990737      3.50356144     -0.26836451
  H      0.25215053      1.80803326      2.04445276
  O     -6.20539746      1.80087363      1.72053508
  H     -4.56585945      1.93387342     -2.96537679
  H     -0.88904060      0.75935668      2.12457138
  O     -3.87390010     -1.64442556      1.79840640
  H     -4.44824195      3.06526727     -4.01316573
  H     -1.61642601      2.36250593      1.03263454
  O     -1.38584523     -0.67239184     -1.51505370
  H     -5.55329562      1.40478483      1.11917620
  H     -2.90897740      3.18576148      0.76166410
  O     -5.23837407      0.44186563     -2.35099206
  H     -6.91917712      2.13709515      1.16376475
  H      1.74888806     -0.08007725      1.06441357
  O     -5.00425622     -3.27072771     -0.15723078
  H     -4.60904969     -1.35934450      2.35608814
  H      0.59645828     -1.09448987      1.16891915
  O     -3.80083525     -1.96273632     -2.17762185
  H     -4.22399106     -2.30642946      1.18500034
  H      2.60248817      2.38715819      1.17388091
  O     -1.57468402      2.04018513     -2.20840995
  H     -0.48180128     -0.92765871     -1.73813726
  H      1.58794345      1.89873417      0.11415988
  O     -1.27949305     -0.81536011      1.29335960
  H     -1.49942404      0.23988832     -1.81625158
  H     -7.97225635      1.14554824     -1.10117006
  O      1.37541228     -1.11064103     -1.82910437
  H     -4.85907023      0.49076438     -1.45962458
  H     -7.72698083     -0.36159596     -0.83377698
  O     -6.20338654     -0.60841511      3.02518861
  H     -6.19573465      0.36429073     -2.22489260
  H     -2.09922956      3.67998790      4.54768458
  O     -0.63759614      1.65653608      2.39013297
  H     -5.07900523     -4.19991688     -0.35563570
  H     -1.76481308      2.75789323      3.36601995
  O     -2.23530126      2.63337553      0.34290452
  H     -4.57788343     -2.85136118     -0.92685518
  H     -6.56719800     -2.20080269      0.19748273
  O      1.51632668     -0.99985812      0.88631403
  H     -2.92343336     -1.60383283     -1.99069848
  H     -7.01857862     -1.30753286      1.36068768
  O      1.81414806      1.86292742      1.06104575
  H     -4.34571418     -1.20648896     -2.43321380
  H     -3.45791822      1.25572352      0.25416414
  O     -7.82831989      0.29784106     -1.53680142
  H     -2.34797958      2.31799210     -2.71156327
  H     -4.00723074     -0.14543923      0.68664747
  O     -2.42829359      3.37850642      3.70435742
  H     -1.74586395      2.33939966     -1.30031860
  H     -4.96776590      3.70938238     -1.61988973
  O     -7.25007124     -1.57358690      0.46487331
  H     -2.09912711     -1.21547596      1.61072254
  H     -5.01677644      4.18239523     -0.13659865
  O     -4.21516314      0.65968383      0.19739300
  H     -1.35528167     -0.75314758      0.32979941
  H     -4.99094729      3.25049804      1.84792601
  O     -5.54704548      4.05649093     -0.93204555
  H      1.95610932     -1.75104132     -2.23011752
  H     -3.70378426      3.84170610      2.46839387
  O     -4.28488355      3.89298119      1.69466388
  H      1.51089953     -1.16654642     -0.86605719
  H      0.29697452      1.96125756     -1.91912233
  O      1.17418644      1.74269975     -1.57922623
  H     -6.63285924     -0.61167274      3.87670053
  H      1.32798010      0.81978842     -1.81711227
          69
 Energy    -248.26283279596652     
  O     12.29315977      8.24511583    -16.37080459
  H     11.58677490      7.79531847    -15.87272340
  H     17.20534977      9.57917864    -12.37565734
  O     12.00193109      7.85912869     -9.56500706
  H     12.35684733      7.80481106    -17.21466509
  H     15.77978149      8.02388555    -11.46729300
  O     13.96084677      8.14933275    -14.09097820
  H     11.78757511      8.80713145     -9.60963755
  H     15.52637915      7.96092909    -12.98842675
  O     14.41508238     12.59122442     -7.78631140
  H     11.49742904      7.49443466     -8.84261506
  H     12.26748681     15.08223190    -12.05485371
  O     10.72480584     10.66393265    -16.01256735
  H     13.25666779      7.98532696    -13.44610580
  H     12.47079793     13.85127581    -11.15081097
  O     11.76319730      7.85829883    -12.40116340
  H     13.53797484      8.12215809    -14.95831630
  H     14.59076546      9.31929865    -10.35274861
  O     16.05040398     10.12954284     -8.04707437
  H     14.98792578     12.81911891     -8.54126310
  H     13.89285190      8.09445640     -9.71896269
  O     14.15139433     10.91496831    -11.04073910
  H     14.68409271     13.15215234     -7.06215736
  H     17.07752916     11.56509369    -13.49988065
  O     15.47473598     14.11793678    -12.40264346
  H     11.14248895     11.29459752    -15.41109568
  H     17.28937754     12.31390682    -14.84079587
  O     11.57505965     10.52831985    -10.08081206
  H     11.37265096      9.97166763    -16.19166495
  H      9.62740807     10.02375192    -13.12867007
  O     11.86441821     12.15876359    -13.88358228
  H     11.84785054      7.66649960    -11.46100190
  H     10.85256121     10.96369169    -12.99535330
  O     17.63803924     10.44616542    -12.35722201
  H     11.30534625      8.70937035    -12.46464185
  H     15.86409726     13.44591090    -10.82816614
  O     16.21832597      8.07562656    -12.32613311
  H     15.38976125     10.80259086     -7.85081205
  H     16.74469921     12.45311040     -9.97665911
  O     12.58918635     14.18323381    -12.05715767
  H     15.60778764      9.44632267     -8.56993350
  H     14.25621745      9.92241669    -13.97375489
  O     14.75876343      8.47113817     -9.91044082
  H     14.22585073     10.91383186    -12.00358204
  H     15.09349958     11.25688732    -14.06649016
  O     16.65537334     12.16390514    -14.14571471
  H     14.73303525     11.60602333    -10.70383096
  H      7.81416097      9.73036496    -15.01377638
  O     10.34405017     10.27867163    -12.53589184
  H     14.51088549     14.10605332    -12.44466994
  H      9.33264981      9.95571015    -15.22381316
  O     15.90692124     12.93062771    -10.00951377
  H     15.81027185     13.52790936    -13.08884199
  H     18.87816750     11.13622108     -9.17091362
  O     14.24086589     10.87654929    -13.82083333
  H     12.47350023     10.71388257    -10.40086771
  H     17.39619997     10.72067963     -9.01721368
  O      8.67205289      9.50670967    -14.66419435
  H     11.00256046     10.49203578    -10.86052419
  H     11.76004440     12.35207551     -9.58699708
  O     18.03517155     11.14644001     -9.61607239
  H     12.00549372     12.92584675    -13.31625280
  H     12.88491213     13.08238140     -8.85184918
  O     12.19040779     13.21327860     -9.50838612
  H     12.72204556     11.70666391    -13.93453558
  H     10.78409304      7.21133071    -13.90105195
  O     10.35467301      7.19387637    -14.76691998
  H     17.84881224     10.63035470    -11.43605914
  H      9.64780701      7.85044134    -14.72512380
          69
 Energy    -248.26281407577542     
  O     12.85395574     10.89343781     -8.92806542
  H     12.70217853     10.87082401     -7.98735797
  H     12.29524020     13.89621595    -12.01084912
  O     12.32234758     10.32019158    -16.05408197
  H     13.31556550     11.73116841     -9.11896887
  H     12.51616254     13.22564273    -17.25232719
  O     14.57219162      9.12718695    -10.38698115
  H     12.55529884     10.71294923    -16.90371848
  H     11.67247254     13.40483796    -15.98189438
  O     17.74787895     14.53337675    -12.32771740
  H     11.73687514     10.95408416    -15.61995216
  H     15.14684390     12.19098521    -12.64155272
  O     11.24316917     10.80069841    -11.22691138
  H     13.93214834      8.75827846    -11.00741379
  H     14.44920456     11.22372392    -13.66739360
  O     12.48549301      8.52814996    -12.22029159
  H     14.06158569      9.70652094     -9.80854086
  H     16.69912695     14.09072079    -15.17741996
  O     14.16753595      9.53499419    -14.24458638
  H     18.51246253     15.07068634    -12.14082073
  H     17.78899083     13.00150198    -15.27253957
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  H     17.79267584     14.29451338    -13.27221066
  H     14.05576624     11.85605556    -18.07305238
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  H     11.52382130     11.62434035    -11.65477745
  H     13.14513383     11.67236746    -19.31053108
  O     15.57576019     12.20362833    -17.30870642
  H     11.66577400     10.79356717    -10.35896735
  H     17.70496320      9.23929809    -10.68047394
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  H     11.82559867      7.88665872    -12.47300644
  H     15.98217751      9.45152758    -14.19874815
  O     12.34811121     13.83429718    -16.52190131
  H     13.56314340      9.76092532    -14.97007806
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  H     13.63405158      9.10686775    -13.56567130
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  H     13.82109496     15.46857063    -11.71286130
  H     18.63818998     10.83679995    -16.35750980
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  H     16.72782885     11.57163088    -11.19811104
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  H     13.91873512     14.14831185    -15.71112605
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  H     14.71260632     13.36511430    -14.62253712
  H      8.24846865     10.77461606    -12.66908563
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  H      9.74340330     10.67777057    -12.33724379
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  H     15.32977464     12.89267570    -16.67947066
  H     14.94825819     15.25737713    -13.74539777
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  H     14.95974854     12.91219425    -10.08523525
  O     14.17791630     13.14043038     -9.56264754
  H     12.97022542     12.74607143    -12.80100756
  H     13.79319568     13.91909122     -9.98062851
          69
 Energy    -248.26276139981979     
  O     16.13922630      5.09673288    -13.21933902
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  H     14.77748490      6.85875988    -10.60173898
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  H     18.98118433      5.99509353    -13.18828635
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  H     12.90461239     11.58825448    -13.40638056
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  H     18.92317007      7.90740865    -14.22173078
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  H     15.86299993      4.79902151    -15.01000685
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  H     15.53480444      8.22667247    -15.54400048
  H     16.94627114     10.66214182    -11.05482738
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  H     14.46471477      8.36735639    -16.64130046
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  H     13.93900728      9.86677509    -12.41266060
          69
 Energy    -248.26272336993304     
  O     -9.90729433      1.32829397      3.05700602
  H     -9.04376867      1.39250244      3.49557517
  H     -9.99458991      3.08801196      2.52798108
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  O     -7.62239676     -2.07012144      4.43610738
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  H     -6.93593131      4.15882154      6.11653033
  H     -9.56323467     -0.09636770     -0.17663336
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  H     -4.82790479      3.92275546      0.48170631
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  H     -6.12539851     -1.00782126      4.81895680
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  O     -9.22656324     -0.74825603      6.18021876
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  H     -7.25157470      3.17778587      0.40395232
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  H     -5.18115405      3.12734811      6.38593481
  O     -5.11056819      4.03032007      6.02637939
  H     -9.34271701      3.82858008      1.35074144
  H     -4.40924081      4.46116519      6.50787384
          69
 Energy    -248.26262591662584     
  O     -1.61824777     -3.19876900     -0.83961796
  H     -2.44328432     -2.89993181     -1.23903643
  H      0.26599156      0.27569963      3.37817953
  O     -2.43174986     -0.65235477      1.74774889
  H     -0.90880655     -2.66297251     -1.21567702
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  O     -5.68021391     -2.31828338      3.41836943
  H     -2.18780777     -1.58481435      1.74158818
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  H     -1.62044784     -0.13273871      1.79089190
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  H     -5.46675978     -1.37758089      3.28317241
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  H     -6.55657837     -2.35474608      3.79183252
  H      0.96476856     -1.53276469     -0.77975979
  O     -4.62511041     -3.37003076      0.98597450
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  H      1.26946093     -1.76400354     -2.27943498
  O     -0.65390949      0.89058167     -0.94905375
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  H      0.49407986     -1.99271537      3.43171583
  H     -4.63401231      1.65359662      1.66840926
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  H      0.88579418     -3.45982816      3.73459852
  H      0.25196901     -4.28932889      5.70876456
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  H     -3.95880578     -0.11970659      2.54552867
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  H     -3.74086268     -3.59679727      1.29415760
  H     -4.47230425      0.76868329      3.70118053
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  H     -5.09868914     -3.04683544      1.76184387
  H     -4.50517068     -2.70650427     -0.64803891
  O      0.56114940     -1.59129223     -1.66480691
  H     -0.23803110      0.11119709     -1.33712879
  H     -4.87353897     -2.75214441     -2.14863758
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  H     -1.60614947      0.75592029     -1.04774579
  H     -2.77251701      2.79728505      1.98045630
  O      1.16245411     -4.28572009      5.36148924
  H      1.30398001     -1.93241833      1.55850580
  H     -1.92956608      3.96118252      2.54925325
  O     -4.76775096      0.18943870      2.98317728
  H      1.12338326     -0.44138681      1.21161811
  H     -2.04287515     -3.79588518      5.68462039
  O     -4.28176422     -2.34245368     -1.52319699
  H     -0.27247329      1.09031808      0.75243798
  H     -1.31314444     -3.31057854      6.95411708
  O     -2.01071995      3.01039810      2.54873991
  H     -0.71376985      1.81670943      2.05180097
  H     -0.82639897     -1.36082364      8.71033154
  O     -1.36457667     -4.04250178      6.32661289
  H     -0.93675386     -3.32478622      2.23870934
  H     -0.01968014     -1.58539610      7.40632421
  O     -0.91033493     -1.62738081      7.79918964
  H     -1.69062824     -3.42848156      0.87495915
  H     -3.77475323     -0.55041229     -1.16916579
  O     -3.37209982      0.21123469     -0.73720970
  H     -0.53934011     -0.35230164      4.55428369
  H     -3.05553447     -0.12277970      0.11665287
          69
 Energy    -248.26244232206994     
  O     14.59833606      7.90358952    -16.09780082
  H     13.75401428      8.12030403    -15.66182978
  H     10.61830091      5.59309497    -10.41301423
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  O     15.54920313      6.23888570     -9.98936729
  H     11.08912805      8.37449364    -10.66802058
  H     16.59403894      5.24856918    -14.26281200
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  H     11.98708404      9.39085015     -9.93853080
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  O     13.22158843      9.38405926     -8.48819989
  H     15.64167040      5.44820341    -10.53994716
  H     14.62672226      8.51248643    -12.24403696
  O     12.08931027     10.58570647    -12.96588708
  H     16.37755886      6.73190962    -10.00845890
  H     12.18044909      9.26063284    -14.31017281
  O     15.53740824      4.00395741    -11.62054208
  H     14.51640891      1.48862961     -9.32431292
  H     12.07135835      7.72689995    -14.31171468
  O     12.17911607      2.48469384    -11.82918116
  H     13.71520330      2.81144755     -9.29618219
  H     17.89653001      7.95440673    -11.23440825
  O     14.83679645     10.40755302    -12.34981080
  H     13.14641620      9.98167044     -7.74914709
  H     18.56403779      8.06757296     -9.84619287
  O     12.57804319      3.83997279     -8.46479348
  H     14.08029010      9.56764828     -8.91005319
  H     15.80924866      8.88096680    -14.94978655
  O     10.34081460      3.74896664    -10.26975015
  H     11.80783361     10.11296069    -12.16123864
  H     16.97018283      8.84787606    -13.93585859
  O     10.99093925      6.48036667    -10.48322181
  H     11.53315022     11.35704199    -13.03613662
  H     13.13133555      7.51670873     -8.48201043
  O     17.20763899      5.25214287    -13.51782474
  H     14.83533837      4.10146770    -12.28073190
  H     14.02274968      6.43180234     -9.12361851
  O     14.50018903      7.55793676    -12.27532046
  H     15.23378765      3.32865020    -11.00084408
  H     16.31970437      9.30502043     -9.85667165
  O     12.27173618      8.48619569    -14.87812741
  H     12.59753432      2.96883068    -12.55343137
  H     15.33748800     10.19605899    -10.64317307
  O     17.71712312      8.00796941    -10.28200742
  H     12.89159608      2.24985570    -11.22228423
  H     19.05504389      7.73961188    -13.43778950
  O     16.37979973      9.44365154    -14.41270635
  H     13.92962684     10.57241994    -12.63461249
  H     17.84728792      6.81020085    -13.17405765
  O     13.15932618      6.57931448     -8.70777431
  H     15.37662206     10.22436464    -13.13300832
  H     13.01453840      6.88315683    -12.76895351
  O     15.56045064      9.88661657     -9.75166446
  H     12.78299886      4.78144365     -8.38772834
  H     11.64794433      6.43860121    -12.19125882
  O     18.21190388      7.69574127    -12.99307302
  H     11.73728949      3.78981822     -8.93601525
  H     15.02230786      6.18140380    -15.76569456
  O     12.16983004      6.45622476    -13.00174606
  H      9.53069332      3.24694169    -10.24888566
  H     15.40820756      4.86515904    -16.47529259
  O     15.26613844      5.25400242    -15.61516219
  H     10.93773810      3.29133765    -10.88849293
  H     14.09154237      4.43758518    -14.35791229
  O     13.55523863      4.18835753    -13.59767297
  H     11.75409773      6.49938061     -9.88658772
  H     12.98842554      4.95304071    -13.40813214
          69
 Energy    -248.26237926233489     
  O     19.43385238     12.51048725    -18.97147653
  H     19.14537295     12.07410014    -18.15695414
  H     14.43662260     11.97869675    -13.95479391
  O     16.85825546     18.25610451    -15.53009805
  H     20.14474091     13.11088898    -18.71925401
  H     19.71341084     16.67012564    -14.87993299
  O     16.13248830     14.45238933    -13.00377909
  H     17.32446359     18.48797689    -14.71716995
  H     19.81612136     17.86040561    -13.91426427
  O     16.14350098     13.38059298    -17.01670221
  H     17.48445553     18.40206883    -16.24896890
  H     19.11067724     13.03683819    -13.62909778
  O     16.83165373     10.76047622    -12.74282447
  H     16.96400845     13.95743965    -13.02689314
  H     18.96467567     13.46865657    -12.14879729
  O     14.75416433     11.41877406    -15.57870691
  H     15.43389967     13.79048843    -12.92622673
  H     16.97152110      9.96131647    -14.28399161
  O     21.05462695     14.61403405    -17.77462676
  H     16.32509880     13.57251885    -17.94386021
  H     17.03832151      8.68137484    -15.15284446
  O     21.31619601     17.28318747    -17.02710674
  H     15.99113329     14.22005673    -16.55964549
  H     18.58137988     19.13291420    -18.47399710
  O     17.68941348     16.45219275    -11.73946023
  H     17.48985774     11.46771347    -12.69634613
  H     18.63251250     17.61958272    -18.17450786
  O     20.14689873     13.35141370    -15.23052724
  H     15.97356000     11.19615638    -12.67302309
  H     21.19734144     15.81694944    -13.58100683
  O     17.14500793     13.80130637    -19.63950380
  H     15.41060857     10.71229971    -15.55897384
  H     21.25825347     14.30780388    -13.89622619
  O     14.38586598     12.25735443    -13.02242989
  H     15.12120918     12.10432543    -16.15363770
  H     18.25025533     19.45273445    -12.53224163
  O     20.35035060     17.21862069    -14.39555149
  H     21.32157047     15.52123466    -17.55419390
  H     18.06693417     17.91735326    -12.58248536
  O     18.52742990     12.98752918    -12.86399472
  H     20.97419185     14.14860968    -16.93499626
  H     20.50171238     14.80736304    -11.77355492
  O     16.99125080      9.63211976    -15.20094830
  H     21.21910784     17.34401597    -16.06699866
  H     20.32452117     14.54754760    -10.25597839
  O     18.72915406     18.50033814    -17.77427058
  H     20.59991906     17.83071539    -17.36723350
  H     17.97903201     10.90583265    -16.10917751
  O     21.45824184     14.95884775    -13.21429723
  H     17.02396281     15.84202471    -12.08137194
  H     17.60830943     12.32061742    -16.61876121
  O     18.32640680     18.69642526    -13.10750836
  H     18.42080289     15.90561487    -11.42738950
  H     17.69313927     15.58965222    -15.54916519
  O     19.84218100     14.67790235    -11.06772021
  H     19.65505303     12.63552991    -15.65807224
  H     18.68842307     15.64759694    -16.72122921
  O     18.34679150     11.70369460    -16.50791608
  H     19.60637948     14.14947680    -15.36523864
  H     18.08246683     15.26825355    -19.00893676
  O     18.62971681     15.51711790    -15.76693271
  H     17.95472296     13.27427582    -19.50790866
  H     19.53920811     15.43345324    -18.48488231
  O     18.68829543     15.88494694    -18.58180661
  H     16.80561372     13.58143651    -20.50267652
  H     15.85196142     15.36294516    -14.56556753
  O     15.88612538     15.68238702    -15.47863683
  H     13.49570696     12.08161516    -12.73024745
  H     16.05504035     16.63719704    -15.47605300
          69
 Energy    -248.26232735222601     
  O     17.87947281     10.23282622    -17.37361554
  H     17.63409925      9.60031531    -16.67958991
  H     17.37614541      5.65117285    -16.73405566
  O     14.82959030      5.97084132    -14.35177359
  H     17.13235829     10.83669307    -17.43883718
  H     17.12266420      5.27683435    -11.87291956
  O     18.52736946     13.98475432    -11.67852885
  H     15.35159686      5.81380029    -15.15273803
  H     17.75931429      5.98217165    -13.08686779
  O     19.79886737      8.65384184    -14.11204046
  H     15.46881676      5.97971525    -13.63083800
  H     17.04691560      7.56590752    -15.70283251
  O     15.64875298      7.22197309    -18.90921487
  H     18.57072483     13.41132689    -12.46392289
  H     18.11792591      8.39195789    -14.90799814
  O     15.99215732     11.12436426    -10.18474526
  H     18.93049953     14.81415566    -11.92122097
  H     15.54364048     11.95706347    -16.12494438
  O     15.20586053      9.51787904    -13.93387768
  H     20.05539093      9.36347945    -14.71887259
  H     15.09574869     12.47727029    -17.50726918
  O     18.47618301     12.14300313    -13.70360550
  H     19.60687736      9.07178184    -13.26189215
  H     16.63907893      7.74199352    -11.80770399
  O     19.14470277      5.99465218    -14.18843648
  H     15.17066712      7.92929452    -18.43933801
  H     15.92552152      8.98924296    -12.37694291
  O     13.18497193      7.99179245    -15.06326574
  H     15.11003162      6.97538455    -19.65581724
  H     13.88901659      8.76457745    -16.66864772
  O     19.20364507      5.69455014    -17.06478766
  H     16.03983842     10.22660395    -10.53481686
  H     14.65088293      9.97215222    -17.28506897
  O     16.46976258      5.93546585    -16.56151368
  H     16.88818864     11.34069510     -9.90130582
  H     19.24024172     12.18253264     -9.02334859
  O     17.01040955      6.01582531    -12.46656884
  H     15.93008142      9.13393432    -14.45521239
  H     18.71902656     12.72225006    -10.37472969
  O     17.26080594      8.43811505    -15.35189989
  H     14.39483407      9.08494109    -14.22431086
  H     18.02152916      9.53661700    -11.77474833
  O     15.45440106     11.71353288    -17.06172735
  H     18.58241404     11.36820643    -13.13275035
  H     18.96850567     10.57578957    -11.11773531
  O     16.45383010      8.67202026    -11.62916971
  H     17.56267468     12.13978850    -14.02040683
  H     16.51119334     13.73735414    -11.74011733
  O     14.32929249      9.08156346    -17.46641640
  H     19.22210347      5.78748676    -15.12601248
  H     15.63187898     12.56045968    -11.29285654
  O     18.76824948     11.93160892     -9.81347400
  H     19.55992839      6.86469965    -14.08841131
  H     15.60064714     12.65731728    -13.56092629
  O     18.85022054     10.02314988    -11.89854790
  H     13.71564525      7.21940789    -14.79322101
  H     15.49247538     11.23297226    -14.17132702
  O     15.66168769     13.31521567    -11.90048443
  H     12.27662926      7.78975922    -14.85719677
  H     19.63032759     11.46985976    -15.08347273
  O     15.74574297     12.14752049    -14.37151429
  H     19.82395635      5.14486248    -17.53627845
  H     19.42860081     10.74790388    -16.42191124
  O     20.07039600     10.88310794    -15.71204915
  H     19.04122095      6.47254947    -17.62798672
  H     18.41521992      8.70080513    -18.34198060
  O     18.44279235      7.78681041    -18.65311472
  H     16.12575763      6.29007521    -17.39232154
  H     17.53051936      7.58473773    -18.89707059
          69
 Energy    -248.26224505270673     
  O     16.94406597      3.67124608    -15.19440454
  H     16.50645659      3.16810938    -14.49655334
  H     16.60790456      9.18342850    -15.82054612
  O     12.67725006     10.98238167    -11.26219190
  H     16.47844204      4.51646968    -15.24507146
  H     14.64246683      8.52329916    -16.50309681
  O     17.39534518      8.37149953    -14.36294297
  H     13.11420024     11.25558393    -12.08274666
  H     13.66680234      7.67207145    -17.34952819
  O     19.49203755      3.99898292    -14.28410922
  H     12.12341905     10.23305858    -11.50601880
  H     15.93548459      9.46188474    -11.91416638
  O     11.41938930      8.57044031    -12.26881295
  H     16.69209142      8.55422692    -13.71950800
  H     14.89071254      9.80292333    -13.00990515
  O     17.29323179      7.87845498     -9.16752750
  H     18.05789686      7.78471113    -13.96390204
  H     16.77927443      2.63920514    -12.38100947
  O     13.67713219      7.27921416    -11.43614630
  H     20.13433779      3.62718840    -14.88227060
  H     15.64372432      1.59864771    -12.54177218
  O     17.95381590     11.03719337    -13.29908487
  H     18.61817976      3.87170868    -14.69453072
  H     14.38823827     11.70475218     -8.73847055
  O     14.62399888      8.19638094     -8.93911478
  H     12.15440974      8.02291644    -11.94440884
  H     13.87346930     11.03047568    -10.03075878
  O     15.65571110      6.18096771    -14.94527647
  H     10.61385556      8.14490410    -11.98613941
  H     17.41039936      6.47497461    -10.38160786
  O     19.03774404      6.59440074    -13.21976633
  H     17.71243877      7.78108891     -8.31614891
  H     16.61031049      5.64670700    -11.44052240
  O     15.98155030      9.63692951    -16.40269527
  H     16.33321822      7.93282038     -9.00788439
  H     14.67377373     11.68876260    -14.21413099
  O     13.95354380      7.83494031    -16.45409737
  H     14.26389667      7.92808560    -11.85767011
  H     13.39748386     10.76384800    -14.21702874
  O     15.38062968      9.07395717    -12.60475776
  H     14.02027894      6.41279196    -11.69044151
  H     16.23047803     10.65598435    -10.20342456
  O     15.90702444      2.48119965    -12.78634169
  H     18.03378547     10.15177817    -13.67322807
  H     17.26483560      9.50280279    -10.17277240
  O     14.58740795     11.01653875     -9.36750343
  H     17.74677654     10.91057414    -12.36479003
  H     16.56188765     13.02294941    -15.41343628
  O     17.48308726      5.78126777    -11.04700386
  H     14.18620233      7.82128679     -9.71484912
  H     16.88207933     11.86248013    -14.44247945
  O     14.00955859     11.26890445    -13.65728872
  H     14.50617387      9.15329765     -8.99464143
  H     15.22545930      4.18895635    -12.48695020
  O     16.97930692     10.27269482    -10.68169682
  H     14.97571531      6.62729294    -15.46525322
  H     15.23628325      5.51101102    -13.29981485
  O     16.23710175     12.18436536    -15.09696837
  H     16.35341307      6.83263301    -14.80379250
  H     18.87234351      3.39694779    -12.56674422
  O     15.08744614      5.14137438    -12.41699896
  H     19.31180635      5.76819824    -13.63491210
  H     18.14282750      4.05029450    -11.37603688
  O     18.32937115      3.19779786    -11.79321791
  H     18.56931992      6.34206884    -12.41202759
  H     12.76610007      8.84117838    -15.33803321
  O     12.29922071      9.52360549    -14.84119062
  H     16.00502635     10.55987348    -16.12710447
  H     11.92497454      9.10629411    -14.05526889
          69
 Energy    -248.26205759461897     
  O     11.58541656      3.06039823    -11.18279019
  H     10.88590770      2.43038384    -11.02047316
  H     16.27850208      6.63659043    -16.58915517
  O     18.02278498      4.84464247    -11.27470408
  H     11.67693105      3.58308340    -10.37139227
  H     17.31940917      6.00360978    -14.72833147
  O     14.68498062      8.69464540    -11.48026349
  H     17.47544423      4.11496963    -10.96336574
  H     17.11653804      6.67011732    -13.34716425
  O     14.22073609      9.43441366    -15.79053948
  H     17.78733283      5.00547013    -12.19773685
  H     14.31244711      5.40936903    -12.32366385
  O     18.29264439      7.26682703    -10.10257040
  H     14.44813126      8.93885735    -10.57800931
  H     14.29869522      5.57355283    -10.77470298
  O     14.68187325      4.76542934     -9.13486376
  H     14.50818596      7.74335038    -11.55499355
  H     13.36439564      2.48915441    -11.63118279
  O     16.34550009      2.78428077    -10.20153416
  H     14.10591195     10.18895328    -16.36308283
  H     14.50005104      2.91927772    -12.58360982
  O     12.69070714      9.27878737    -13.38424896
  H     15.15810900      9.42661194    -15.52759856
  H     13.08829122      8.37001915     -8.94868367
  O     14.55659507      6.76069625    -16.66609763
  H     19.16673448      7.35443659     -9.73121930
  H     13.59310283      9.67043664     -8.28190986
  O     12.02083835      4.48669133     -8.80897584
  H     18.23374870      6.36516802    -10.46893693
  H     11.50631490      7.37234618    -10.27499689
  O     16.85977332      9.18340083    -15.14413298
  H     15.18146832      5.52765446     -8.80163422
  H     11.73501963      6.39764695     -9.10877520
  O     17.24473070      6.64500571    -16.45568796
  H     15.30483282      4.07556085     -9.39154733
  H     17.69293942      8.07123819    -11.70036221
  O     17.16082536      5.81320555    -13.79520398
  H     15.62134504      2.53112019    -10.80280901
  H     16.30689370      8.55082690    -12.16812354
  O     14.06911388      6.00618288    -11.60519351
  H     16.72656113      1.97550024     -9.87065342
  H     16.74098780      7.22947679     -8.97647301
  O     14.28264226      2.31026950    -11.86153167
  H     13.13056448      9.33421148    -14.24013241
  H     15.35050551      7.75248461     -8.50844919
  O     13.87570652      8.92534281     -8.80525781
  H     13.40395179      9.23662896    -12.73220801
  H     11.79472439      7.91543565    -12.62422201
  O     11.73065136      7.33368368     -9.33419081
  H     14.29219290      7.64646011    -16.38561549
  H     12.40273716      6.67210060    -11.93041020
  O     17.18840443      8.30522428    -12.48817835
  H     13.90322331      6.14503023    -16.31491821
  H     15.67025006      4.80756703    -13.81003781
  O     15.97723017      7.02326334     -8.42401294
  H     12.99117562      4.56309689     -8.85918085
  H     14.26451226      4.45133943    -14.41840455
  O     11.56437790      7.12463988    -12.11393791
  H     11.81183094      4.23566333     -7.91242236
  H     11.30862515      4.14143975    -12.75806179
  O     14.85543621      4.30550028    -13.66988260
  H     17.07637568      9.00516917    -14.21919527
  H     11.13708190      5.63519732    -13.08097788
  O     11.18835642      4.75835330    -13.48823952
  H     17.14052099      8.40312640    -15.63752123
  H     12.21796250      4.77581913    -14.88065566
  O     12.86680768      4.74218789    -15.60608411
  H     17.64260179      6.42720380    -17.29355955
  H     12.52864677      4.11611341    -16.24156172
          69
 Energy    -248.26204715027427     
  O     17.78847291      8.63008751    -15.24315571
  H     16.84228353      8.72348864    -15.07158255
  H     20.31832191      4.23972516    -15.62906178
  O     17.46770119      1.57043120    -12.40138868
  H     17.88553259      7.83843520    -15.78325957
  H     16.06352047      6.52208851    -16.77087053
  O     20.66573046      5.94911869    -13.20239522
  H     17.35660732      1.38350437    -13.34167791
  H     15.01108417      7.41607396    -16.07438817
  O     13.90489540      4.37283869    -16.20655612
  H     16.63887504      1.94752308    -12.07782426
  H     12.07017872      6.90311360     -9.68772038
  O     17.83319889      5.89156486    -16.32699077
  H     20.32816821      5.16380492    -12.75622220
  H     13.23361698      5.88574053     -9.73972404
  O     13.86270271      4.32841061     -9.27170007
  H     20.68992426      5.73526148    -14.14272356
  H     18.67815585      4.17111075    -11.33559828
  O     17.57526567      1.26244681    -15.22898676
  H     14.24722988      5.24942357    -16.46246890
  H     18.59575577      2.87903622    -12.16906162
  O     16.72763647      7.49929391    -10.90290038
  H     13.09114234      4.23917591    -16.68423497
  H     14.35383043      4.56057042    -14.41212021
  O     19.89287894      2.82719297    -14.72238023
  H     18.77752411      5.70471785    -16.41111194
  H     15.65530159      4.97233121    -13.65390100
  O     17.40636672      4.88669660    -10.18749082
  H     17.61754944      5.69771680    -15.39995407
  H     19.47407310      7.27059689    -12.88433685
  O     17.37382468      5.41042793    -13.65714223
  H     14.25340844      3.79932362     -9.97932745
  H     18.47500967      8.22658095    -13.62662135
  O     20.49726192      5.11732810    -16.01416667
  H     14.56367469      4.44588156     -8.61857649
  H     13.78119052      7.17503324    -11.58993083
  O     15.11890565      6.71706786    -16.73156659
  H     17.15440526      1.97006060    -15.74782171
  H     14.36922516      6.35531520    -12.77259957
  O     12.97552407      6.79750081     -9.96784535
  H     17.50591404      0.46339995    -15.74497404
  H     15.05745406      3.68626276    -12.12590551
  O     19.06350028      3.72930608    -12.10538604
  H     17.46469533      7.75112466    -11.47765036
  H     16.10053178      3.78366784    -10.97857170
  O     14.71068363      4.77706897    -13.54340107
  H     15.93455754      7.45437082    -11.45261161
  H     17.00615654      4.13527805    -16.69187410
  O     18.65437304      7.77665827    -12.78868587
  H     19.17801259      2.21477339    -14.93618797
  H     15.57911962      3.57001039    -16.54124168
  O     14.32967686      7.24158575    -12.38224937
  H     19.79005408      3.03311680    -13.78635344
  H     16.36539430      4.99847011     -6.74631587
  O     15.40838905      3.21993536    -11.35423001
  H     17.12438785      4.81784021     -9.26731190
  H     15.87961369      5.97640970     -7.84475726
  O     16.50567196      3.31476214    -16.62952479
  H     17.20152565      5.79193880    -10.46218269
  H     15.93892651      7.68419109     -9.23290500
  O     16.13117542      5.05164766     -7.66867719
  H     17.91014721      4.72760472    -13.23633734
  H     14.47229914      7.43429041     -8.86348929
  O     15.35111063      7.53270292     -8.47847226
  H     17.71822145      6.25668750    -13.34065431
  H     14.72043258      8.22711532    -13.83683698
  O     14.97449874      8.67071041    -14.66187128
  H     21.30393002      5.03953905    -16.51697920
  H     14.49367129      9.49528138    -14.68590005
          69
 Energy    -248.26197562588783     
  O     11.36946513     11.47588965    -16.02147390
  H     11.92733755     11.56808021    -16.80393277
  H     18.86740906     10.42618640    -13.87843438
  O     18.24452073      6.56962023    -13.92057757
  H     11.90146264     11.78210724    -15.27589769
  H     14.45415495     11.55902297    -16.89619078
  O     17.00006319     12.94567814    -14.62811953
  H     18.57211553      7.39773988    -14.29458362
  H     14.37030333     11.69486268    -15.35250015
  O     16.16102702      5.30026944    -15.12232423
  H     18.16602472      6.70270728    -12.96976654
  H     15.44916004      7.79386783    -13.00956573
  O     15.82427100      8.65690456     -9.88380881
  H     16.44359469     13.16268907    -13.87054324
  H     15.77721978      8.83816370    -14.13004277
  O     15.28817667      5.96629461    -12.54012795
  H     16.40126152     12.54877971    -15.27291054
  H     10.71589068      9.85722172    -16.09095239
  O     12.97228474      9.62924959    -12.58902593
  H     16.45079736      4.47122425    -15.49404464
  H      9.51748078      8.91905137    -16.37322527
  O     12.69609952      8.63269140    -17.97641293
  H     16.95335238      5.74043838    -14.76305795
  H     12.68240861      6.85322282    -11.33080706
  O     17.47877015      6.60133671    -11.07751645
  H     16.44478293      7.98189172    -10.18275766
  H     12.31428373      6.57603687    -12.81358893
  O     16.23269124      9.13523335    -15.87994773
  H     16.13174978      9.47992550    -10.28706623
  H     15.34025160     13.69113956    -11.59905113
  O     14.29361350      7.16963699    -16.15033381
  H     14.34233260      5.91254061    -12.34102947
  H     15.69042281     12.23998169    -11.99790538
  O     18.69347398     11.16793706    -13.28947161
  H     15.44890809      5.57302081    -13.40547873
  H     17.96072040      9.07290906    -15.52649471
  O     14.98379387     11.56302976    -16.08924268
  H     12.86236586      9.32059436    -11.68201933
  H     19.44621839      9.14706372    -15.95053402
  O     15.44926772      8.73293209    -13.22897607
  H     13.86787531      9.35557559    -12.84895150
  H     17.41611795     10.89573867    -12.07427337
  O     10.45674099      8.92554879    -16.21058575
  H     13.29650807      8.05162899    -17.49241357
  H     16.16507517     10.00426833    -12.16428019
  O     12.63656996      6.16058872    -12.00241547
  H     11.86718181      8.62451666    -17.48095148
  H     13.06988924     10.32271275    -18.21285699
  O     15.25950604     13.05572245    -12.30583210
  H     16.67659817      6.26227549    -11.51378636
  H     13.15477437     11.56428759    -19.13500170
  O     18.87456514      8.99598547    -15.20142664
  H     17.82995458      5.88330817    -10.55524646
  H     14.07925510      8.40994468    -10.00401723
  O     16.56453253     10.71795741    -11.64554230
  H     15.57190539      8.46911830    -16.11209134
  H     12.72898537      8.39634727     -9.25494735
  O     13.20533110     11.28746745    -18.22441765
  H     15.82726829     10.00757548    -15.99247572
  H     13.02950349     11.19665332    -13.44371937
  O     13.11749246      8.31548570    -10.12207568
  H     13.60168891      7.27693321    -15.48124289
  H     13.83129517     12.51200892    -13.38951779
  O     13.23019364     12.00062561    -13.94570457
  H     14.86424716      6.44397156    -15.86970834
  H     11.47995689      7.99468331    -14.97657910
  O     12.15933172      7.66585839    -14.37465053
  H     18.22420774     11.82732412    -13.82335704
  H     12.36921483      8.39988967    -13.77907933
          69
 Energy    -248.26183642551871     
  O     11.81940445      9.40180586    -15.37455633
  H     12.43562852      8.78048169    -15.78684043
  H     18.79074981     10.04393885    -14.04899812
  O     16.57137288      7.05819514    -12.68968371
  H     12.15652397     10.28313407    -15.57413838
  H     15.88923988     11.37647908    -17.17162187
  O     17.39002788     11.93252627    -16.37124220
  H     15.82188641      6.90392928    -12.09948980
  H     15.29705713     10.09090054    -17.79656618
  O     13.85454737      5.11165037    -15.23334063
  H     17.16796142      7.65197024    -12.21351871
  H     14.95351892      8.45772268    -15.12327380
  O     15.77848576      9.91902177     -9.84074734
  H     17.31437009     12.33098483    -15.49661087
  H     15.88148723      8.22901496    -13.88430243
  O     14.38836278      7.01531993    -10.97100714
  H     17.79531758     11.06665276    -16.22334744
  H     10.34193993      8.66633360    -12.70567375
  O     14.64074344     11.24590069    -13.62982225
  H     13.43939109      5.43229219    -14.41122389
  H     11.42551592      8.89702458    -13.78733462
  O     17.83292692      6.88841154    -17.14386086
  H     13.42398356      4.29029031    -15.45394095
  H     19.02395318      6.50758475     -9.26576311
  O     15.64653938      7.35766660     -8.47490970
  H     14.96221405      9.95935593    -10.35479958
  H     18.31396560      7.73391605     -9.86671670
  O     18.10604786      9.31293885    -15.65042895
  H     15.66839177      9.17498481     -9.23615486
  H     12.13846894      6.87507333    -13.01913466
  O     16.65958230      5.61597001    -15.07831560
  H     14.74569066      7.01615766    -10.07497239
  H     13.29018214      6.24250077    -12.22986355
  O     18.86401926     10.49377900    -13.19743653
  H     14.13614011      7.92932390    -11.17127570
  H     16.96973319     13.43080650    -13.04537142
  O     15.06940248     10.97677156    -17.50251161
  H     14.05653617     11.56961039    -14.32678114
  H     16.15998498     12.20730119    -13.52515795
  O     15.59964825      8.87808404    -14.54297065
  H     15.01786018     10.41264557    -13.95881047
  H     18.38681640      9.48299153    -11.83203229
  O     11.27434143      8.57273609    -12.88046539
  H     18.55177061      6.34780323    -17.45973059
  H     17.25297090      9.37527677    -10.75341690
  O     18.27208385      7.08134151     -9.14700524
  H     17.42700414      6.40690598    -16.39916081
  H     16.46674509      7.77287851    -17.96272749
  O     12.72416657      6.10893934    -13.00218546
  H     16.59055177      7.19314043     -8.64598472
  H     15.72604851      8.09958223    -19.27745264
  O     17.02055756     12.65205671    -13.59404500
  H     15.49653893      7.16449841     -7.55348980
  H     12.70952872      9.32915754    -11.94914596
  O     17.98755215      8.90055903    -11.17064478
  H     17.21406162      9.22666108    -15.27831891
  H     13.90379679     10.25709641    -12.25562908
  O     15.68274577      8.21034273    -18.33024597
  H     18.23409712      8.52525308    -16.18656528
  H     13.78619626     11.54827159    -16.52057395
  O     13.55539792      9.63778453    -11.59962717
  H     16.75103382      6.02971353    -14.20866227
  H     12.75008903     12.67111605    -16.27652207
  O     13.10350110     11.86926139    -15.90191043
  H     15.73773370      5.33925279    -15.14145593
  H     13.79240062      6.75133472    -16.07368165
  O     13.78911364      7.68140608    -16.33469251
  H     18.32214565     11.28842213    -13.27703227
  H     14.35439388      7.78309471    -17.11064619
          69
 Energy    -248.26155425592131     
  O     15.34410801     12.11545126    -12.25288476
  H     16.14508547     11.71572095    -11.89219368
  H     15.31529373      5.54589531    -14.88189976
  O     17.38493653      9.22263443     -7.23980279
  H     14.85459630     12.42938293    -11.48331205
  H     11.31480866     10.92663829     -9.88602522
  O     16.16631592      6.10419259    -11.56979994
  H     16.70298960      9.79027436     -7.63337869
  H     11.68357958     11.25527898    -11.35191391
  O     18.58271954      6.23505597    -10.23079674
  H     17.58997949      9.59742388     -6.38630239
  H     15.76118943      8.78613161    -14.10043044
  O     16.98407860      6.43556186     -7.84586991
  H     15.54399298      6.11416445    -10.82782864
  H     14.72871600      9.53702263    -14.93914564
  O     17.27746429     10.69150883    -10.72650045
  H     15.67216114      5.96866749    -12.38716701
  H     18.63860965      9.04538755     -8.69535764
  O     14.02900955     12.79617204     -9.79278055
  H     19.20034970      5.55909481    -10.49966203
  H     19.00510263      8.07288907     -9.83198631
  O     10.18215353      7.73051670    -10.92446776
  H     17.78349603      6.10976522    -10.76769518
  H     15.39448983      6.17542797     -8.65411255
  O     15.43917387     10.69184291     -8.56690669
  H     17.09498362      7.34884062     -7.55399598
  H     14.20232299      7.08531907     -9.01224476
  O     13.62847178      8.66372817    -11.64514005
  H     17.63663089      6.30172590     -8.54411144
  H     11.36295474      9.70794949    -13.37640982
  O     12.50385401      6.18093079    -11.05110025
  H     18.04777978     10.19985121    -10.40504321
  H     12.52914836     10.73449881    -13.62446999
  O     14.92068892      6.08324182    -14.19863985
  H     16.64755691     10.70980962     -9.99360201
  H     13.02528941      6.03160849    -14.05425996
  O     11.71003850     11.60192517    -10.44955805
  H     13.16997129     12.38536801    -10.00183053
  H     12.13112843      5.84633359    -12.83250250
  O     15.20373969      8.70162508    -14.89100523
  H     13.84878326     13.69904964     -9.54484696
  H     11.02855032      7.41179099    -13.87386891
  O     19.08124060      8.99306288     -9.55229379
  H     10.11155996      7.93970521    -11.86187008
  H      9.71464056      8.02260974    -14.41074250
  O     14.61126558      6.23390524     -9.22004486
  H     10.87956182      7.06259812    -10.86031972
  H     10.46505360      8.82985171     -9.61149388
  O     11.89785141     10.40355493    -12.97155246
  H     14.76288327      9.99923510     -8.61593246
  H     10.02114122      9.40578242     -8.24660747
  O     12.10024136      6.03094266    -13.78200242
  H     15.00818448     11.50181943     -8.86787107
  H     14.53796076     11.61127628    -13.72316081
  O     10.42877541      8.17513447    -13.79747126
  H     14.52484159      8.77360303    -11.98378731
  H     14.12539500     12.01515549    -15.15575017
  O     10.72680827      9.42653932     -8.88713793
  H     13.05286103      9.28845312    -12.10246130
  H     13.55129686      8.82807834     -9.89482394
  O     14.03566447     11.32199965    -14.50679908
  H     12.87980535      7.02064288    -11.36484786
  H     12.55534806      8.98577842     -8.72648497
  O     13.48033627      8.80127336     -8.92631511
  H     13.08917124      5.89857723    -10.33999302
  H     16.72753047      9.40049083    -11.82275165
  O     16.32501711      8.75460241    -12.41645565
  H     14.97822228      7.00489030    -14.50851692
  H     16.43662104      7.87373954    -12.03851953
          69
 Energy    -248.26152075467752     
  O      2.03806285     -5.02186541     -3.09182960
  H      2.21549767     -5.42345857     -3.93877037
  H      5.09547144     -0.62600071      2.20161481
  O     -0.75480119     -0.17125822      1.20448419
  H      2.89940632     -4.90801494     -2.65240902
  H     -0.74039048     -6.96106591      0.12760959
  O     -1.62536489     -3.96864920     -0.38134696
  H     -1.37565717      0.55015738      1.25623511
  H     -1.03845840     -7.17764862      1.63689809
  O      2.78668029     -2.33862315      3.87465149
  H     -0.81256123     -0.52598430      0.29836801
  H      1.87276045     -5.01816333      1.86280177
  O      4.77909854     -1.93575910     -0.62492415
  H     -2.40990833     -4.48992670     -0.17207219
  H      3.10199344     -5.54951180      1.02323431
  O     -2.78769110     -4.81490381      3.10482327
  H     -0.93502650     -4.59449420     -0.64095402
  H     -0.93601325     -1.91006905      1.96294509
  O      0.95509698     -4.43328016      3.29520336
  H      2.42415658     -1.68112445      3.26431247
  H     -1.16246160     -3.25447262      1.23561543
  O     -0.94986233     -1.38243137     -1.21814235
  H      2.21009161     -3.10879161      3.81583342
  H      5.74294234     -3.00073223      0.67545071
  O      3.67436475     -0.96155196     -3.02373055
  H      3.88908611     -2.26215833     -0.41280914
  H      5.88441202     -3.08727700      2.20598717
  O      1.29494404     -2.32198705     -2.62212495
  H      4.92202815     -1.20034769     -0.00817553
  H      4.49511708     -2.13348434      3.75608621
  O      2.20755963     -2.65187015      0.00079831
  H     -3.23350536     -5.07915377      2.29003954
  H      5.83072285     -1.74959248      4.43640063
  O      4.74793456     -0.14984504      1.43747066
  H     -2.28795785     -4.01614088      2.88788243
  H     -0.99024290     -7.23123250      4.22667228
  O     -1.38748772     -7.32058835      0.74877978
  H      0.45926346     -5.23342636      3.50835652
  H     -1.55685880     -6.01835705      3.45102010
  O      2.18680036     -5.24776760      0.97741071
  H      0.31323270     -3.81345322      2.91456835
  H     -2.87492955     -6.41105758      0.58287636
  O     -0.99836526     -2.86086307      2.10529048
  H     -0.22274262     -1.56044936     -1.82788947
  H     -4.35608917     -6.21626061      0.17124306
  O      6.00987864     -3.59003831      1.39052217
  H     -1.32178971     -2.25164423     -1.01363410
  H      5.33866841     -5.12642201      1.05286179
  O      5.43803433     -1.94908374      3.59127344
  H      4.18164806     -1.20036210     -2.23400090
  H      5.43867229     -6.66899938      0.93703976
  O     -0.80002552     -6.62947898      3.51147470
  H      4.00813576     -0.11224037     -3.30349823
  H      2.04400201     -1.34087166      1.18420984
  O     -3.60007686     -5.76130236      0.53125852
  H      1.45774926     -3.22650954     -2.91559585
  H      1.07031789     -0.26900270      1.69751065
  O      4.87488435     -5.92595871      0.74202195
  H      2.07166456     -1.79804465     -2.86864404
  H      1.01518229     -5.70935339     -0.23259258
  O      1.96361229     -0.60907444      1.81684476
  H      2.18186712     -3.57194225      0.29102920
  H      0.83864077     -5.67769393     -1.76458493
  O      0.36695090     -5.84747793     -0.94166555
  H      1.76357901     -2.57827043     -0.85338115
  H      4.72480079     -3.75124043     -1.59045218
  O      4.41390791     -4.63973217     -1.79133657
  H      3.79207303     -0.10466498      1.57902552
  H      4.60650358     -5.16997537     -1.00791928
          69
 Energy    -248.26111683949927     
  O     15.65141019      9.68380158    -15.52714153
  H     15.11952101      9.00912627    -15.94069718
  H     17.48928027     11.51202560    -17.62350832
  O     17.63993892     16.07873385    -16.12515006
  H     15.97988369     10.25994696    -16.24116206
  H     19.09632412     11.13691704     -8.80366982
  O     19.83156026      9.96637401    -15.73886125
  H     18.35476845     15.53285079    -16.50334584
  H     19.20150770     12.21252305     -9.90475786
  O     19.56577478     13.87426049    -10.43998961
  H     17.48785591     16.79648075    -16.73351806
  H     21.31309878     16.28368073    -11.61176804
  O     14.89139391     12.71320174    -11.60487578
  H     20.36135542     10.63892180    -15.28285505
  H     19.83187493     16.45868261    -11.98340142
  O     20.00349487      9.67078855    -11.83515314
  H     19.16553858      9.68487764    -15.10522552
  H     21.57480839     10.28155174    -12.16590481
  O     16.66127635     10.51659127    -11.26889595
  H     18.74625224     13.89007789    -10.95600804
  H     23.08223846     10.07236208    -12.45425831
  O     19.35960594     11.71372428    -17.78837894
  H     19.91352040     14.77510438    -10.50940253
  H     17.26527606      9.87461326    -12.78367155
  O     21.08198253     14.83250538    -14.50614874
  H     14.70398977     12.46567047    -12.52926873
  H     16.98644693      9.54308781    -14.27905099
  O     21.03761538     12.08434408    -14.41612460
  H     14.05563342     12.93062872    -11.20192734
  H     19.58806378     13.54339031    -17.19512546
  O     14.58084300     12.03022833    -14.18908098
  H     19.28235653      9.52745194    -12.45669191
  H     20.30241325     14.54177807    -16.23700532
  O     16.56515520     11.45973033    -17.35236681
  H     19.63216044     10.16526023    -11.09265199
  H     23.79152360     15.84629813    -12.32889503
  O     18.94979837     11.29025823     -9.73423201
  H     17.34946663     10.80283221    -10.65637707
  H     22.76105496     14.73337544    -12.01222324
  O     20.43277042     16.38304388    -11.23042243
  H     16.01000570     11.22812340    -11.29717897
  H     18.28308721     16.16164994    -14.34276875
  O     22.40993708     10.74215799    -12.36661223
  H     19.84332538     11.43059245    -18.56085583
  H     18.13934888     15.39904159    -12.99878039
  O     17.69408729      9.66487207    -13.63158933
  H     19.52664871     11.04830847    -17.09895204
  H     21.33350945     13.38511802    -10.93758083
  O     19.64872835     14.47244866    -16.94451776
  H     20.26797787     15.20497797    -14.13802248
  H     22.38012917     12.38867011    -11.49776258
  O     22.89934147     15.56276868    -12.50649037
  H     21.80024206     15.14930528    -13.94424590
  H     18.01042160     11.45547909    -13.89537877
  O     18.71759807     15.99285129    -13.49800363
  H     21.59041825     11.71088459    -13.71928188
  H     19.24086207     12.34964039    -14.15752815
  O     22.26145242     13.29463970    -11.18926872
  H     21.18214970     13.04017762    -14.43272282
  H     16.63632363     14.52939025    -15.80797047
  O     18.28459751     12.37121835    -14.03088050
  H     14.80853309     11.17764202    -14.57485870
  H     17.08891053     13.21652824    -15.12348719
  O     16.35801380     13.62907834    -15.60945501
  H     15.06243317     12.69066217    -14.70804788
  H     16.46653466     13.70747104    -11.83334769
  O     17.34973042     14.00981294    -12.07095588
  H     16.38872113     12.29373708    -16.89520331
  H     17.68360437     13.38780226    -12.73738706
          69
 Energy    -248.26108591576400     
  O     -2.78053018      4.85462358      4.02590260
  H     -2.33973592      4.78440912      3.16973516
  H     -0.47840974      2.23786969     -1.04524354
  O      0.98257759      1.06936014      1.69296907
  H     -2.40117501      4.13755191      4.55138270
  H     -5.91242162      5.18576935      4.40196686
  O     -2.07677585      0.12767157      3.96287135
  H      0.79682398      1.29377344      0.77371399
  H     -4.49288960      4.70456882      4.01112450
  O     -3.72060307      0.18162671     -0.20293545
  H      0.60478561      0.19242857      1.83635631
  H     -1.59604082      3.73827187     -0.00694735
  O     -2.09158535     -3.22438556     -1.51862264
  H     -2.71832466     -0.58638271      4.07057193
  H     -2.72705854      3.25943490     -0.94072322
  O     -0.61346002     -1.24659826      2.03555548
  H     -2.46043206      0.74263115      3.31639378
  H     -5.68138508      3.45692729      2.47925669
  O     -5.81699703     -0.13505933      5.28648750
  H     -3.98472167      0.99962916     -0.64034498
  H     -6.05986625      2.01120192      2.00915412
  O     -6.57347624      0.42108137      2.57168383
  H     -2.84860804     -0.09317268     -0.51677726
  H     -0.58406908      3.74681614      2.31896512
  O     -1.16190321     -0.77675944     -0.63186616
  H     -1.44939354     -3.63282482     -2.09402928
  H     -1.93608408      3.13733225      1.88546192
  O     -5.07842348     -1.65169861      1.32997890
  H     -1.72115819     -2.36061429     -1.27758257
  H     -5.26375310      3.11057487     -1.46441516
  O     -2.12746574     -3.49066491      2.57541773
  H     -0.97817522     -2.13337333      2.16815222
  H     -5.00523627      2.87863416      0.03929960
  O      0.24512544      1.58613370     -1.05771815
  H     -1.01894895     -0.70814067      2.72986235
  H     -4.39451151     -1.76758567      3.03101714
  O     -5.43443388      4.45088253      4.02737731
  H     -5.31911709      0.68947128      5.42966443
  H     -4.66811478     -1.38582727      4.50224418
  O     -1.77296833      3.38035654     -0.89000410
  H     -6.37429755     -0.25390728      6.05098109
  H      0.83374605      2.29970272      2.91958941
  O     -5.62862409      2.83916317      1.73983887
  H     -6.42319624      0.23991641      3.50739447
  H      1.54326534      3.38607060      3.75939338
  O     -1.37168792      3.92171083      1.78922908
  H     -6.21948116     -0.34195137      2.09708184
  H     -0.76634152      2.78271489      4.78243428
  O     -4.61153211      2.79135602     -0.84547646
  H     -0.96786066     -0.96424005      0.30001854
  H     -1.73116356      1.61314842      4.92114416
  O     -4.04016601     -1.84394006      3.92963912
  H     -0.62433572     -0.01755587     -0.88860172
  H     -4.87013972      2.96547891      5.11037371
  O      0.68292815      3.04837341      3.52460366
  H     -4.82401538     -2.51766725      0.98943004
  H     -3.53633699      2.34579677      5.58542017
  O     -1.60310485      2.53443960      5.19536843
  H     -4.63461382     -1.00316909      0.76295007
  H     -3.29532415     -3.78150880     -0.34853144
  O     -4.49031929      2.21070422      5.57575919
  H     -2.68507363     -3.79175507      1.84876610
  H     -4.26740067     -4.88973407      0.11824142
  O     -3.90872299     -4.03974905      0.36044341
  H     -2.73162409     -3.07738369      3.20640431
  H     -3.16513226      1.14234776      1.26759666
  O     -3.08567810      1.74440283      2.01831952
  H      0.87254106      1.88548521     -1.71033611
  H     -3.95407197      2.15699451      2.10877410
          69
 Energy    -248.26095993588820     
  O     11.82428222      8.97955719    -12.02921486
  H     11.05971288      8.50915336    -11.70535432
  H     15.71117292      8.43223356    -17.12463927
  O     17.19822772      8.17311288    -14.54148984
  H     12.59354069      8.59714787    -11.57658307
  H     18.45511830      9.39518765    -15.28624436
  O     17.17811189     11.74865734     -9.78186475
  H     16.86039749      7.83291245    -15.38109712
  H     19.51885815     10.31041647    -14.67839052
  O     16.33594425     12.54060219    -14.35206139
  H     16.60194892      8.88725607    -14.25481280
  H     13.16006231     12.64461028    -13.62003782
  O     13.85215469      6.49962980    -15.31651501
  H     17.55137452     12.02584140    -10.63920621
  H     14.46646457     13.02995589    -14.36976807
  O     15.95123163      7.12158425     -8.91576168
  H     17.21885196     12.50453021     -9.20328602
  H     14.58400122      9.69755971    -14.04055086
  O     15.36160948      6.52141447    -13.03199494
  H     16.72354980     12.50330927    -15.23470902
  H     15.30313703     10.24909676    -12.76895365
  O     14.93916499     10.64685545    -11.06728040
  H     16.00478832     11.64645951    -14.17362781
  H     18.23131811      8.06977851    -13.02735244
  O     17.46666971     11.90478399    -16.85698065
  H     14.52335421      6.69897448    -15.97971917
  H     18.38796526      7.20742736    -11.76111566
  O     17.34741026      5.84463455    -11.12603043
  H     13.43488082      7.35150863    -15.12101746
  H     18.83365734     11.71062443    -12.49055139
  O     15.29158134     10.10038843    -17.29678943
  H     16.60643658      7.82382690     -9.08621697
  H     17.57851822     12.50366311    -12.95555858
  O     16.00328551      7.51725610    -16.95723978
  H     16.01308566      6.90413876     -7.98990900
  H     19.68101696      9.48442296    -12.53471091
  O     19.02198305     10.14944216    -15.48910587
  H     16.04539205      7.05435824    -13.45348139
  H     20.98242027     10.31398594    -12.52518762
  O     13.50893093     12.96595684    -14.46499253
  H     14.74083607      6.31917094    -13.74677730
  H     17.64251940      9.96590042     -9.60421294
  O     15.43126422     10.01096119    -13.69749213
  H     14.77524960      9.72191659    -10.84106454
  H     18.07027302      8.78374169    -10.50993215
  O     18.66914664      8.04172716    -12.16571611
  H     15.66715869     10.98103393    -10.53154467
  H     13.04532873     11.89908952    -15.71441053
  O     18.16196470     12.33974295    -12.20319638
  H     17.96851182     12.38873032    -17.50733892
  H     12.14100915     11.58459372    -16.93171718
  O     20.08508664     10.30972175    -12.85008446
  H     18.08857315     11.30147953    -16.41160134
  H     14.55583365      7.46330304    -11.68633722
  O     17.74058027      9.00651618     -9.63063384
  H     16.92174021      6.09585061    -10.29828547
  H     14.65079248      7.60642449    -10.14966391
  O     12.81344670     11.21318380    -16.36772909
  H     16.63652702      5.83861220    -11.78133737
  H     12.11414446     10.97457156    -12.07460995
  O     14.18582280      7.93914028    -10.92806993
  H     14.45885114     10.50647791    -17.02919582
  H     13.44495278     11.56497993    -11.64696459
  O     12.61998642     11.79289549    -12.09874895
  H     15.97843967     10.77082392    -17.19886137
  H     12.73132843      9.78083240    -15.19253272
  O     12.96605153      9.05138281    -14.60444041
  H     16.30917656      7.16787300    -17.78982851
  H     12.43457533      9.10166239    -13.80018900
          69
 Energy    -248.26093317406833     
  O     14.81496314     12.36619559    -12.10095688
  H     15.69240290     11.96656243    -12.13587666
  H     11.75959971     10.76755419    -10.03409454
  O     18.74374461      8.88776944     -9.08819056
  H     14.59547750     12.43644246    -11.16366928
  H     14.31522329      9.15090553    -14.48249986
  O     16.96606402      6.69192677    -12.21366950
  H     18.03051602      9.53102354     -8.99144364
  H     13.13194980     10.11094053    -14.66248138
  O     14.12395283      4.48536535    -10.61746114
  H     18.91832056      8.81887882    -10.03465915
  H     18.33251631      7.86624609    -12.08937488
  O     18.36917093      6.35548429     -8.12583417
  H     16.76209004      6.50640261    -11.28691800
  H     19.74498664      8.37401008    -12.45034018
  O     17.14586888     10.77421466    -11.83009748
  H     16.33063269      6.16916835    -12.72721464
  H     16.89825427      6.04801452     -9.05467440
  O     14.30102571     12.38804895     -9.28003897
  H     14.23040771      3.57201933    -10.36388953
  H     15.61180748      6.87207062     -9.35279426
  O     16.38949723     10.50052853     -9.15738562
  H     14.86275162      4.97592629    -10.21714198
  H     10.64158594     10.03325167    -12.11238357
  O     13.44308772      8.59006393    -11.49326038
  H     18.55763237      7.26991515     -8.39958453
  H     11.78770626     11.01517653    -12.52857830
  O     12.11035279      6.43807365    -10.43788458
  H     18.97055911      6.16333880     -7.41229934
  H     11.21698384      6.58254828    -13.43012678
  O     12.63746146      6.66179643    -14.65842367
  H     17.89402789     10.17931813    -11.96122328
  H     10.92756406      6.41325389    -11.92468208
  O     12.09753134     10.81598934     -9.12733036
  H     16.90526048     10.69655530    -10.89444340
  H      9.66916740      8.14190716    -12.74483223
  O     13.45601743      9.24150449    -14.92078532
  H     13.51429096     11.82221535     -9.18215396
  H      8.36428260      8.95502749    -12.81333750
  O     18.96558283      8.58887022    -11.94378017
  H     14.12502191     13.18661080     -8.78932681
  H     11.91284954      7.43601430     -8.92698704
  O     16.10526535      6.07989813     -9.60898152
  H     15.78109270     11.24704775     -9.09090057
  H     11.40295556      7.71742398     -7.49705033
  O     11.43884653     10.48701219    -11.80031678
  H     15.83821326      9.71299798     -9.03796753
  H     14.46007473      5.01526904    -12.46696825
  O     10.50708022      6.59097763    -12.77488133
  H     14.11938602      8.70465025    -12.17059091
  H     14.07349433      5.81292729    -13.73527960
  O      9.30389187      9.04087110    -12.68068579
  H     12.75952495      9.25879236    -11.63323543
  H     13.55139638     12.04993451    -13.25494456
  O     11.98295800      8.05021464     -8.17706427
  H     12.57108242      7.15347465    -10.90716942
  H     12.61742097     12.61642061    -14.34937725
  O     14.81522971      5.39957068    -13.27712881
  H     12.70817664      5.68036634    -10.44609984
  H     14.29202395      8.52821429     -9.93613864
  O     12.80168569     11.83291762    -13.83820031
  H     12.86655426      7.60164723    -14.76467289
  H     13.87656508      8.26058939     -8.48354462
  O     14.65003479      8.36160472     -9.04896024
  H     12.47630999      6.32479026    -15.53695158
  H     16.07564165      9.65547514    -12.80372994
  O     15.60052664      8.92483826    -13.21971635
  H     11.99445243      9.93405727     -8.75588355
  H     16.05573982      8.11720167    -12.95057907
          69
 Energy    -248.26089992788624     
  O     13.77449613      4.64380852    -10.10449626
  H     13.82833309      5.37262194     -9.47461717
  H     12.68196747      8.67173574    -14.91293277
  O     15.66409972      8.70427517    -16.47402828
  H     14.67191688      4.52422719    -10.43998027
  H     16.11767689     10.45441833    -11.23057614
  O     18.22359127      8.72138114    -13.13343827
  H     15.38398404      8.78648814    -17.38198795
  H     17.08175094      9.40660923    -11.90544177
  O     15.15917531     12.05494229    -11.42255509
  H     14.87428013      8.83956693    -15.92333584
  H     15.05890523      8.68370884    -11.96086631
  O     11.25810225      7.47549298    -14.79988983
  H     17.85357854      8.06601735    -13.73972421
  H     13.62214100      8.22007423    -11.61674437
  O     19.05987231      4.39575862    -11.96241643
  H     18.69583572      8.22236888    -12.45035644
  H     12.36313362      4.55650055    -11.11398989
  O     12.57198985      5.17461135    -14.24864226
  H     14.99273684     11.93566432    -12.37683196
  H     11.04847663      3.79231298    -11.38302945
  O     16.64342522      7.24726388     -9.66415271
  H     15.57610378     12.90575138    -11.31660122
  H     14.78921784      6.64593199    -12.97605546
  O     12.67638516     11.16705119    -10.42688974
  H     11.73181385      6.63146571    -14.68059232
  H     15.57414717      5.36327262    -12.61860636
  O     19.24078978      5.15559321    -14.57719368
  H     10.53021938      7.29969665    -15.39021003
  H     16.80845575     10.01628616    -15.60450946
  O     14.78749934     11.58141140    -14.02594483
  H     19.14095616      4.61025928    -12.90767364
  H     17.70539342     10.09636417    -14.35516409
  O     13.52603184      9.12057924    -14.78392457
  H     19.66778981      3.68167454    -11.78896175
  H     16.40173437      6.42620775    -14.42526425
  O     16.42853353      9.54261755    -11.20295117
  H     13.51201546      5.30217390    -14.06239613
  H     16.66624506      7.42231893    -15.58528517
  O     14.28984371      8.21613906    -12.31256247
  H     12.19458354      4.83716620    -13.42596234
  H     19.24773473      6.20713133    -11.31884896
  O     11.56693372      4.53767136    -11.67420163
  H     16.57334240      8.09758989    -10.12278372
  H     18.45773609      7.16575022    -10.41376037
  O     15.14011576      5.82273765    -13.34904425
  H     15.83538978      7.16074553     -9.14364122
  H     10.97449541      6.32436444    -11.81817264
  O     17.20516370     10.63640834    -14.98034242
  H     12.03649412     11.79478431    -10.75616973
  H     10.88218643      7.44866051    -12.86783133
  O     17.10304261      6.85116337    -14.94277777
  H     13.53971124     11.49186013    -10.72115417
  H     17.29657386      4.56282509    -11.35716423
  O     19.16791662      7.13472957    -11.06658684
  H     19.95826799      5.42126547    -15.14735657
  H     16.52077568      5.67949216    -10.61216634
  O     10.79177513      7.26762486    -11.92576420
  H     18.49685315      5.73938870    -14.79653818
  H     13.48934386      7.52560410     -9.04710849
  O     16.41306170      4.84473111    -11.09254855
  H     15.66754427     11.36595795    -14.37175720
  H     13.78622364      7.10811842     -7.58783432
  O     14.07103062      6.97965827     -8.48894726
  H     14.20243297     10.88249956    -14.33822031
  H     11.78691829      8.08153764    -10.71586746
  O     12.50467664      8.43037084    -10.16522522
  H     13.82613412      8.84916242    -13.90235013
  H     12.49521949      9.39713048    -10.20773855
          69
 Energy    -248.26082403299563     
  O     -5.84289285      3.69482423     -2.54920080
  H     -6.47219840      4.28283511     -2.96089510
  H     -6.02259007     -0.65520001      3.68988684
  O     -1.59604306      2.83238353     -3.28311678
  H     -4.96778787      4.09816270     -2.66388489
  H     -1.96759807      1.79359861      3.17292051
  O     -5.89183944      2.54521734      0.02093346
  H     -0.78302092      2.61734485     -2.81241427
  H     -1.13058348      2.13999182      1.92756710
  O     -3.64275639     -1.32196894      1.20286250
  H     -2.09414567      2.00321267     -3.32447413
  H     -0.71736216      2.52729491     -0.35101405
  O     -0.20938961     -0.60650118     -0.83436360
  H     -5.62344709      3.18031867      0.69831762
  H     -2.16470246      2.10681008      0.04314123
  O     -3.03683201      0.48554198     -2.99054539
  H     -5.94291809      3.00905487     -0.82342507
  H      1.38877523     -1.08336603      0.46432869
  O     -4.21194996     -2.49716240     -1.22263834
  H     -2.73333594     -1.30268901      1.53586720
  H      1.79094796     -0.30991136      1.73867999
  O     -1.91921241     -2.06577046     -2.55864824
  H     -4.23435140     -1.05548860      1.91651297
  H      0.74893917      1.55014029      2.72643894
  O      0.51361319      1.91371659     -1.58442196
  H     -0.60743500     -0.66898516      0.04392533
  H      2.18246947      1.73975099      3.23662448
  O     -1.04753878     -0.92625974      1.88415961
  H     -0.73786772     -1.15941871     -1.42288104
  H     -4.82123275      0.71980525     -3.34853694
  O     -6.97402914      0.10571332      0.75809498
  H     -3.21194293      0.66745208     -2.05301745
  H     -5.86142431      1.82996013     -3.11208501
  O     -5.50885427     -0.24926586      2.99678118
  H     -2.62725362     -0.38619982     -3.02207604
  H     -4.37057925      1.26150707      3.30195421
  O     -1.08079540      1.70909645      2.79450742
  H     -4.03835110     -2.21116739     -0.31367453
  H     -4.13359652      2.74731549      2.94907829
  O     -1.43551585      2.70603895      0.26663842
  H     -5.06623344     -2.11741227     -1.45787733
  H     -7.40970984     -1.60223558     -2.24036829
  O      1.66329048     -1.20158018      1.37966715
  H     -2.74600098     -2.28695399     -2.09075190
  H     -6.40629168     -0.43175194     -2.33235342
  O      1.67882162      1.37846480      2.51050007
  H     -1.69977465     -2.81824209     -3.10087572
  H     -3.60654539      0.21848093      0.19140984
  O     -5.77292591      0.88884310     -3.29361144
  H      1.44360462      2.02307892     -1.40172142
  H     -4.37565162      1.51526384     -0.20649428
  O     -3.74712593      1.99043519      3.40414252
  H      0.29236789      0.99085534     -1.36794806
  H     -2.35575782      4.25563733      0.19405501
  O     -6.68822932     -1.18133223     -1.77932481
  H     -0.12573042     -1.21499813      1.91304865
  H     -3.14915758      5.02880750     -0.86868779
  O     -3.55059452      1.02923073     -0.33067749
  H     -1.07896983     -0.04001341      2.27157177
  H     -2.68122232      4.12336975     -2.96623083
  O     -3.00970711      4.96195421      0.08141405
  H     -6.73245208      1.00688995      0.49999713
  H     -3.04770542      5.58521438     -3.30339667
  O     -3.32576600      4.83262890     -2.78765338
  H     -6.91920246     -0.41908262     -0.04903878
  H     -4.16758415      4.58522114      1.30968382
  O     -4.83428837      4.25724090      1.94030382
  H     -6.10210918     -0.14347692      2.23072544
  H     -5.11961483      5.00704915      2.45553729
          69
 Energy    -248.26071479819205     
  O     15.50664002     10.53136006    -15.12851730
  H     14.70037024     10.00508241    -15.07460316
  H     15.64676249      2.91557445    -18.47219739
  O     13.77829871      4.06982312    -16.16926818
  H     16.09028055     10.09219192    -15.76326538
  H     19.09076305      5.35476286    -16.28409190
  O     18.16525449      6.06847902    -12.02978730
  H     13.86231809      4.04673034    -15.20818454
  H     19.92953093      6.41672400    -15.56061016
  O     18.53651591      7.39756118    -18.52304684
  H     13.65062820      5.00648422    -16.38212227
  H     17.04483265      8.19165550    -16.10105181
  O     15.78419443      6.47666331    -18.61232136
  H     18.91690131      6.35662731    -12.56294266
  H     17.79683853      8.66959451    -17.34939846
  O     13.83880868      5.96646694    -10.23997009
  H     17.76658899      5.30592017    -12.47753672
  H     15.46326392      6.71765046    -15.60446568
  O     14.13672755      4.49197244    -13.40588797
  H     19.14341710      7.45966480    -19.25550145
  H     16.28850753      7.19820055    -14.35595829
  O     16.30092038      7.98931691    -12.71529266
  H     19.00753638      6.93274941    -17.80850569
  H     12.29562132      9.28121375    -14.79219717
  O     17.58723169      4.40003094    -15.87241750
  H     16.69575132      6.78857817    -18.64187388
  H     13.24836676      8.29578990    -14.08425233
  O     13.49553474      3.21359154    -10.97593357
  H     15.83421695      5.51884809    -18.49832151
  H     16.40839485      3.81952155    -10.19165402
  O     19.14718769      9.47307665    -14.40728486
  H     14.77739435      5.95232845    -10.01752566
  H     16.54675928      3.13344115    -11.55926478
  O     15.80424459      3.66625587    -17.90651992
  H     13.59132428      5.04197599    -10.36659403
  H     13.62080759      7.63272437    -16.27028634
  O     19.71306850      6.08083706    -16.43642570
  H     13.95095309      5.42685401    -13.25111001
  H     14.48379884      6.90965661    -17.39726336
  O     17.38265427      8.98781293    -16.53960332
  H     13.79706802      4.00815289    -12.64219398
  H     19.83866385      7.96374625    -13.94510817
  O     16.34925514      6.77591365    -15.22171787
  H     17.00282751      7.41065606    -12.38986692
  H     21.10069703      7.17492252    -13.52219341
  O     13.16156807      8.88393405    -14.85308380
  H     16.60876603      8.90297947    -12.68743956
  H     17.22546063      3.89906478    -14.14063605
  O     16.18756008      3.01022604    -10.66964279
  H     17.07089098      4.03504715    -16.60128508
  H     15.93455553      4.15652488    -13.32862251
  O     13.92429070      6.78688229    -16.61370707
  H     17.17508419      5.25073692    -15.64480545
  H     17.30236218      5.85121110    -10.44514598
  O     20.17322880      7.07542723    -13.72375058
  H     13.00661988      2.44691169    -10.69093333
  H     17.16402409      5.95356200     -8.91235574
  O     16.87451175      3.93903726    -13.24162992
  H     14.43785067      3.02602057    -10.81501831
  H     13.54865982      6.87193996    -11.80090652
  O     16.71212258      5.65737879     -9.69931564
  H     18.64251328      9.36758403    -15.22565344
  H     14.61034824      7.55560019    -12.67196636
  O     13.69782616      7.22589163    -12.68949003
  H     18.58033981      9.98966436    -13.82327284
  H     16.91799901     11.48440667    -12.42508991
  O     17.04418831     10.67932830    -12.91854035
  H     15.04690360      3.72041966    -17.29440641
  H     16.46333681     10.73095630    -13.70085587
          69
 Ord_Energy   -248.260635    
 O    1.74731338       2.85518789       2.80964112    
 H    2.11629510       3.08273196       3.65995026    
 H    1.20977426       3.61387515       2.52267432    
 O   -2.18303895       5.35198784       3.09478092    
 H   -2.49055982       4.48009396       3.37601995    
 H   -2.73979759       5.60245275       2.34576106    
 O    1.14201832       3.74225307      -3.52679634    
 H   0.941159427       2.79810381      -3.45432568    
 H    1.89390278       3.80580926      -4.13154221    
 O   -3.64788079       5.67898130      0.659631014    
 H   -4.53411245       5.99294186      0.494528413    
 H   -3.68818331       4.70770836      0.623670101    
 O    2.96932197       2.47385049      0.297973096    
 H    2.67834496       2.58752680       1.21096325    
 H    2.77140021       3.29470301     -0.177445158    
 O    3.49068761      0.723681688      -3.99316168    
 H    4.00528765       1.10151097E-02  -4.36311054    
 H    3.94656634       1.00672758      -3.18063164    
 O   -3.55240393       2.94590354      0.822953641    
 H   -3.45046067       2.76328826       1.76543641    
 H   -3.56501842       2.09815454      0.349941999    
 O   0.137233883       4.80694818       1.79358244    
 H  -0.211400002       4.26027441       1.07065213    
 H  -0.617792666       5.06645632       2.34233809    
 O   -1.69506943       6.54470348      -1.27099645    
 H   -2.32013631       6.31683636     -0.570808172    
 H  -0.841323495       6.68645239     -0.847746909    
 O   -3.14067507      0.639489233     -0.497850984    
 H   -2.80381513      0.851419091      -1.38247681    
 H   -2.46542478      0.111205608      -6.06438890E-02
 O    3.53924274       3.49540615      -4.86346102    
 H    4.13294458       3.87260485      -4.20264673    
 H    3.56702662       2.54009247      -4.72398853    
 O   -1.46333742       4.23520803      -2.73682737    
 H   -1.60903418       5.12233639      -2.37710881    
 H  -0.590299070       4.22629738      -3.15337443    
 O    4.91319656       4.48347235      -2.52155852    
 H    4.08242559       4.67567539      -2.05592108    
 H    5.48673058       5.23294878      -2.38368344    
 O    4.71497440       1.73308563      -1.78213549    
 H    4.20330620       1.83922470     -0.969571948    
 H    4.97300911       2.62810493      -2.03690624    
 O  -0.950530350       3.27331591     -0.183711797    
 H   -1.81958234       3.06570864      0.183312401    
 H   -1.09930241       3.62260151      -1.07318258    
 O  -0.878711581     -0.612892210      0.862058401    
 H  -0.248673633     -0.107505679      0.319537818    
 H  -0.653211236      -1.53427577      0.760917068    
 O   -2.05339146       1.45186996      -2.92516422    
 H   -2.03158736       2.41685009      -2.96836019    
 H   -1.18367636       1.16241217      -3.22430825    
 O    2.43576288       4.72780132      -1.29259574    
 H    1.92176569       4.39692593      -2.04528546    
 H    1.95653129       5.47295523     -0.912827790    
 O   -2.94145918       2.63795209       3.55417871    
 H   -2.12366557       2.13031721       3.40320921    
 H   -3.40959048       2.20274305       4.26149702    
 O  -0.689667523       1.25928628       2.99285650    
 H   0.176916957       1.66908562       2.90249658    
 H  -0.748944342      0.566203237       2.32308292    
 O   0.764962494      0.987902820      -3.28854275    
 H   0.774925590      0.913821816      -2.32271719    
 H    1.65523398      0.775055885      -3.59579062    
 O   0.926632822       6.71840334       1.91432703E-02
 H    1.16262591       7.55164528      0.419892460    
 H   0.682605207       6.11539936      0.742342353    
 O   0.709227383       1.10316873     -0.519099712    
 H    1.56616187       1.44942880     -0.240941823    
 H    7.62627795E-02   1.83292222     -0.427994251    
          69
 Energy    -248.26057359543097     
  O     14.60214926     10.28570447    -11.83693173
  H     14.46285232      9.64360719    -12.55404046
  H     16.15129199      7.34297772    -16.66859936
  O     14.93904098      5.91106904    -13.23016825
  H     14.37002435     11.14474200    -12.20721433
  H     18.31030432      5.94348062    -13.06392573
  O     17.17824024      9.29207774    -11.62092617
  H     15.82592471      6.07234172    -12.88657932
  H     18.92766055      4.79419313    -13.87595158
  O     14.40702662      9.66057434    -16.26991505
  H     14.37660013      5.80743257    -12.44988537
  H     11.77802453     10.33018728    -14.69724218
  O     11.15646062      6.04571042    -14.74949461
  H     16.29265650      9.68367422    -11.62908999
  H     12.89037520     10.67021416    -15.70476966
  O     15.26774990      7.84350470     -8.32577325
  H     17.59587607      9.54354567    -12.45464575
  H     14.38908092      7.59602199    -13.66777074
  O     13.57181533      5.86906936    -10.82475863
  H     14.69006027      8.93803586    -16.84028463
  H     13.11077857      8.50186404    -13.78436491
  O     16.05752192     11.54401078    -15.03682960
  H     14.34543026      9.26504642    -15.38503096
  H     10.60883775      7.38917954    -11.34897398
  O     18.10237631     10.02429112    -14.15142907
  H     10.53735251      5.59950763    -15.32139576
  H      9.70746621      8.47228932    -10.70378839
  O     15.97227268      5.48124780     -9.38429419
  H     12.04142521      5.89384199    -15.12674981
  H     11.06823665      5.72813897    -12.84618860
  O     17.40011307      7.58065568    -15.50886673
  H     14.50588317      8.19462207     -8.80254645
  H     11.85879935      5.61458296    -11.51343646
  O     15.41862280      7.24044088    -17.30503912
  H     15.98296822      8.48973969     -8.41669078
  H     17.23070923      7.45413133    -11.63500861
  O     18.72737348      5.72621349    -13.91308213
  H     14.31324459      5.55254186    -10.29481522
  H     16.89923466      6.12351730    -10.89200690
  O     12.26266130     11.06936422    -15.08688790
  H     13.46470935      6.80608397    -10.60308947
  H     17.85042329     10.35579468     -8.61879537
  O     14.07827663      8.50148728    -13.78584941
  H     15.41357240     11.98246434    -14.46993583
  H     17.44107847      9.50476849     -9.83102221
  O     10.54091767      8.34104685    -11.14783028
  H     15.54459994     10.95967460    -15.61341384
  H     14.19380104      6.17332536    -16.30382349
  O     10.98110717      5.77744513    -11.88645819
  H     18.92771303     10.40406360    -14.44186119
  H     14.19318819      5.58541654    -14.87796468
  O     17.24594738      6.49025904    -11.71420952
  H     17.39468631     10.61755913    -14.46180456
  H     13.66008817      9.24080497    -10.67725200
  O     17.38731170      9.55889368     -8.86425592
  H     16.26270990      4.86781652     -8.71541600
  H     12.26392601      8.61972507    -10.39085462
  O     13.66241495      5.66044030    -15.68391168
  H     15.75232455      6.31488598     -8.92702876
  H     13.56390818     13.39702806    -13.32983814
  O     13.19727863      8.57275833    -10.15197056
  H     17.89102752      6.89120305    -15.04142870
  H     13.23619979     12.03998841    -13.99393842
  O     13.86910308     12.49766703    -13.41152046
  H     17.62483470      8.41015974    -15.07406582
  H     10.97849427      8.68306147    -12.94173087
  O     11.30147394      8.69946131    -13.85136955
  H     15.81110292      6.96950193    -18.13037580
  H     11.13579761      7.82584831    -14.23164680
          69
 Ord_Energy   -248.260529    
 O   -8.05604172       1.40077746       5.87742043    
 H   -8.00494957       1.11465383       4.95691967    
 H   -8.41495323       2.29636025       5.85394526    
 O   -4.92971516       1.85021126       3.56500649    
 H   -3.96958709       1.90639877       3.47636890    
 H   -5.11528349       2.00302672       4.50371552    
 O   -2.21653414       2.45999074       3.62950897    
 H   -2.30659199       3.42500401       3.72791123    
 H   -1.41305280       2.30818987       3.13913536    
 O   -7.05537319       8.07674885       1.36006224    
 H   -7.47333288       8.60056973      0.681779087    
 H   -7.73295212       7.46396923       1.69811881    
 O   -7.78404856       8.25306416       6.08244801    
 H   -8.55679703       7.76858091       5.77067852    
 H   -7.22900724       8.41663074       5.30646086    
 O   -6.16022348       7.37712765       8.01891232    
 H   -6.78558350       7.74861479       7.36883831    
 H   -6.43647814       7.67952919       8.87951279    
 O   -3.60969591       7.91720200       6.80621099    
 H   -4.45613432       7.84407902       7.26383305    
 H   -3.18542480       7.05681086       6.91004038    
 O   -5.57699490       4.19341516       2.10621548    
 H   -5.52952337       4.82697725       2.84043884    
 H   -5.26864767       3.35604429       2.47483850    
 O   -4.58261538       6.65375042       1.01874828    
 H   -4.83936691       5.73465776       1.16209221    
 H   -5.40816545       7.15260363       1.02340662    
 O   -5.44367075       2.21160793       6.28625631    
 H   -6.31348419       1.78726637       6.28826857    
 H   -5.59470606       3.13349867       6.53296137    
 O   -3.50185108       9.41135883       4.53501844    
 H   -3.49346042       8.90271664       5.36620760    
 H   -3.06283879       10.2385187       4.71402788    
 O   -7.50149441      0.921526730       3.08518100    
 H   -6.56167078       1.15285468       3.17466927    
 H   -7.53740644      0.114785977       2.57720733    
 O   -9.88084698       6.59150267       5.11879778    
 H   -10.7968788       6.53127384       5.37879038    
 H   -9.47252369       5.73504066       5.33035946    
 O   -2.53420234       5.11278152       4.12706709    
 H   -2.52683258       5.25726080       5.08196306    
 H   -2.35328078       5.94356775       3.65885687    
 O   -5.95323086       4.93669271       6.69689798    
 H   -6.09230614       5.70463467       7.26585913    
 H   -5.72807217       5.26925802       5.81015921    
 O   -5.26447248       5.83712721       4.26897860    
 H   -4.31263590       5.71105146       4.15413761    
 H   -5.48359966       6.76601028       4.12171698    
 O   -3.00369287       5.14310503       6.89763355    
 H   -2.71132565       4.21833897       6.89912891    
 H   -3.96423244       5.09765720       6.96164608    
 O   -6.05075502       8.49124432       3.92773008    
 H   -6.33150101       8.50549507       3.00388885    
 H   -5.20624542       8.95192909       4.01673651    
 O   -8.89485359       6.38803625       2.43084073    
 H   -9.29131317       6.58485460       3.28762770    
 H   -8.78293133       5.42944574       2.41177058    
 O   -8.18745041       3.66012931       2.76444793    
 H   -7.31349325       3.90126061       2.42079091    
 H   -8.19150448       2.69639921       2.78274918    
 O   -8.49310398       4.24767447       5.49777603    
 H   -7.65881443       4.46873713       5.92880440    
 H   -8.30972576       4.06878424       4.56276035    
 O   -2.51075292       7.40254402       2.73866844    
 H   -3.19183302       7.22043562       2.07308555    
 H   -2.80322146       8.16368866       3.25150108    
 O   -2.61947083       2.43904853       6.52234697    
 H   -2.35185456       2.30205536       5.60650015    
 H   -3.55100226       2.18190503       6.55892277    
          69
 Energy    -248.26017892797336     
  O     -5.30148453      9.33767642     -7.35892547
  H     -5.09094320      8.99036850     -8.24174898
  H     -8.37167086     12.16219633    -11.05876362
  O     -6.49240548     10.32769200    -13.03492650
  H     -6.00228626      8.76881384     -7.01958745
  H     -5.43639156     14.17195113    -10.79868521
  O     -4.99577966      8.28313070     -9.89275149
  H     -6.91677541     10.34939777    -12.16347759
  H     -5.37035655     13.66487617    -12.24998596
  O     -7.88868327      5.82771274    -11.45012795
  H     -6.55036295     11.22680646    -13.37871412
  H     -3.71220019      6.44523292    -12.32587479
  O     -2.63924727      5.96286363     -7.61561998
  H     -5.93309699      8.04832476     -9.90556440
  H     -3.93193692      7.83018258    -12.93567711
  O     -7.27749417      7.35629252     -6.88345418
  H     -4.47129654      7.47618131     -9.96548246
  H     -6.77853402     14.75761410     -8.57186124
  O     -3.13872654      6.20799150    -10.36942970
  H     -7.55369636      6.41136569    -12.15605800
  H     -6.39745423     13.32270240     -9.00229808
  O     -6.74848256     13.10792279    -13.48998952
  H     -8.55542807      5.27183871    -11.84381584
  H     -3.50187275      8.93486420     -7.00273630
  O     -4.02030474      9.60813920    -12.08342178
  H     -1.95256045      5.52272998     -7.12170073
  H     -2.17133935      9.27801004     -7.70106161
  O     -6.81465455      7.46520558    -13.28225858
  H     -2.57052186      6.91257688     -7.41091999
  H     -2.24881996      8.91559581    -11.56003042
  O     -1.49490888     10.50627830     -8.97537848
  H     -7.82484794      7.09587865     -6.14832744
  H     -1.45593339      9.06205373    -10.25913100
  O     -8.41885280     13.08616733    -11.34126784
  H     -6.62396965      6.64353860     -7.01791775
  H     -5.60000033      5.11118564     -8.29637351
  O     -4.82229992     13.89384258    -11.48936488
  H     -2.51607691      6.91650431    -10.60059348
  H     -4.49874585      5.60201792     -7.33708507
  O     -4.09636828      6.89116217    -13.08743644
  H     -2.93147489      5.96591763     -9.45659299
  H     -7.73426450      7.64345487     -8.67613653
  O     -6.71163048     14.18265339     -9.32981135
  H     -7.42192465     13.15272124    -12.78703339
  H     -7.93917241      7.11912565    -10.14765963
  O     -2.59359074      8.62913557     -7.12556818
  H     -7.07726845     13.62512078    -14.22057986
  H     -4.82168457      5.07366656    -10.40774517
  O     -1.64628560      8.44245398    -10.97378995
  H     -4.80031215      9.91767784    -12.56494801
  H     -6.35958281      5.04894282    -10.61287202
  O     -5.45118369      5.47917066     -7.41212777
  H     -4.36043812      9.15023294    -11.29553371
  H     -4.91306263     11.69716856     -9.29209119
  O     -7.75925967      7.89945418     -9.60688625
  H     -5.89071246      7.17729594    -13.32270446
  H     -5.61551261     10.96988764     -8.11068452
  O     -5.64485014      4.72229148    -10.05297071
  H     -6.80429962      8.42634178    -13.34488699
  H     -3.80427787     12.59904069    -10.82167260
  O     -5.71925213     11.68021853     -8.75729476
  H     -2.15963324     11.04519077     -9.43501165
  H     -3.60942909     11.07969832    -11.07314254
  O     -3.46299595     11.78261892    -10.42592914
  H     -0.73962637     11.07200701     -8.83143333
  H     -7.83056613      9.62171575    -10.18709546
  O     -7.63679510     10.51451616    -10.50206351
  H     -7.98727282     13.58892653    -10.63901561
  H     -6.98608392     10.89117214     -9.89499672
          69
 Energy    -248.26009156726474     
  O     15.21596794      6.57409543    -13.85026053
  H     16.08149106      6.32026262    -13.50432583
  H     19.78033713      7.07608593    -14.66857158
  O     18.38679488      8.67542708    -11.70630322
  H     14.62628613      6.70894600    -13.09488926
  H     16.16748854     11.37246309    -17.54672596
  O     18.02060408      9.94569883    -15.70699834
  H     18.34922642      8.49450383    -10.75835500
  H     17.13046337     12.38941122    -18.18329647
  O     11.52420147      7.82891843    -15.68950568
  H     17.77113704      9.39922944    -11.87754443
  H     15.53085488      8.28974075    -14.30112592
  O     15.30914163      8.48387162     -8.77613235
  H     17.17915290      9.67480352    -15.31239176
  H     14.78652490      9.55172039    -14.82500345
  O     13.60600051      7.19365632    -11.69003553
  H     17.81221955     10.66816419    -16.31565653
  H     11.41603086     11.34976645    -12.46229257
  O     16.53583825     10.68563533    -12.37955919
  H     10.84700986      7.62082111    -16.32686004
  H     11.72521478      9.85386891    -12.72103938
  O     15.43323855      7.61901224    -18.11189886
  H     12.28784567      7.25661554    -15.89016654
  H     17.30011747      5.55987159    -11.07102999
  O     14.45883444      5.81810135     -9.42003579
  H     14.90803973      7.61025581     -8.86716348
  H     17.49088316      6.25175717     -9.70687614
  O     17.85599524      7.43217532    -16.93554688
  H     14.87642686      9.04894356     -9.42881382
  H     11.98336600      7.68996644    -12.47275588
  O     13.73846511      6.42515180    -16.20000057
  H     13.79459653      6.64216962    -10.92041682
  H     11.27822003      7.95186443    -13.82840896
  O     19.53259620      6.17676117    -14.95349226
  H     13.87443078      8.09504764    -11.46231161
  H     19.56197323      8.77498713    -13.20013679
  O     17.01142780     11.83821262    -17.41490405
  H     16.86651708     11.51785612    -12.70964960
  H     19.36952750      9.25686545    -14.65654363
  O     15.62646021      9.23657959    -14.46868758
  H     16.20227284     10.19223074    -13.15036576
  H     18.34779606      6.00947773    -13.52010307
  O     12.12047004     10.74496870    -12.68033544
  H     16.30940340      7.50755182    -17.70125843
  H     17.94887139      7.05181637    -12.44518131
  O     17.04992468      5.50988320    -10.13898252
  H     15.51851366      7.32104536    -19.01419225
  H     18.42294927      8.17587471     -8.20409955
  O     11.27152784      8.19192320    -12.89286994
  H     15.37496037      5.61688448     -9.68475397
  H     17.03501463      8.24003814     -8.88729470
  O     19.93611521      8.71489102    -14.08810220
  H     14.14914881      5.07794960     -8.90578995
  H     14.91287551      9.43416590    -17.81958588
  O     17.73784474      6.17140073    -12.78992931
  H     18.01509217      8.33351532    -16.62250408
  H     14.07823319     10.38914713    -16.93410190
  O     17.96938955      8.00092745     -9.02413961
  H     18.36451733      6.86129181    -16.35062537
  H     13.50890503     10.26018732    -11.50331989
  O     14.71022295     10.36519904    -17.66231373
  H     14.31041726      6.78488823    -16.88947606
  H     15.05268778     10.20726330    -11.40771520
  O     14.24019948      9.85451275    -11.02078835
  H     14.28451402      6.34115247    -15.40607354
  H     12.53774751      9.36795354    -15.49458128
  O     13.11402566     10.12121598    -15.30342773
  H     20.34473849      5.71533691    -15.14443280
  H     12.80505419     10.49253925    -14.46871653
          69
 Energy    -248.26001293745162     
  O      0.32262018      8.09324134     -1.81820065
  H      0.72097093      7.77607862     -0.99785014
  H     -1.64887010     10.16229477     -3.06733858
  O     -1.71490657     11.18725886      0.14724112
  H      0.68033714      7.57051359     -2.54676668
  H      2.58696877     14.32853971     -0.28862852
  O      1.14744714      9.32978115     -5.29017735
  H     -2.59869782     11.28122259      0.49467457
  H      2.02276763     15.12178977      0.91473388
  O      1.51398968     10.64003598     -1.67077480
  H     -1.79953834     10.70733506     -0.69584467
  H      1.08233402     10.45996332      1.49707783
  O      3.81919377     14.15572973     -1.49334421
  H      1.13498285      8.43196732     -4.94058892
  H     -0.39091396     10.22881090      1.13093031
  O     -1.00848304     10.83149813     -4.73906312
  H      2.07161526      9.51340651     -5.50641205
  H      3.95085763      8.08447107     -3.38916929
  O      4.98695461     10.70638325      0.63965662
  H      0.98008561      9.83946346     -1.75463688
  H      4.55040335      6.67409693     -3.27687806
  O      5.29006175      5.98324107     -1.72246623
  H      1.16559692     11.30455998     -2.27633876
  H      5.49492688     11.83032714     -3.07966725
  O     -0.45445912     13.49138241     -1.01095349
  H      3.54825795     14.04444844     -2.41248441
  H      4.34346475     12.21558516     -4.03727173
  O      4.24091727      8.02734965     -0.10758207
  H      4.57920683     13.57439169     -1.36991967
  H     -0.06091941     12.14235401     -3.88446164
  O      3.02324179     13.51905990     -4.15149815
  H     -0.23138426     10.29024044     -4.97406166
  H      0.11923626     13.04479257     -2.60337670
  O     -1.82473660      9.80663842     -2.18861268
  H     -1.55388432     10.88394661     -5.51902937
  H      3.02170646      9.91954429     -2.15481652
  O      1.88765244     14.33730655      0.39032702
  H      4.09525634     11.04339910      0.80883038
  H      4.34760952     10.18980366     -2.89578902
  O      0.36641054      9.81166527      1.55899606
  H      4.89040284      9.75118432      0.55668080
  H      4.15548046      8.68614928     -5.29818837
  O      4.05232784      7.24854114     -3.87332461
  H      6.15224081      5.70429066     -1.42359185
  H      4.42005564     10.20261423     -5.21811852
  O      5.02344266     11.54684772     -3.87502345
  H      4.97762495      6.62512307     -1.06544019
  H      2.19031862     12.55147924      0.80381936
  O      0.56804829     12.67232727     -3.37942840
  H      0.27259351     13.82033589     -0.46782984
  H      2.05130247     11.28020801     -0.07088229
  O      3.87587063      9.52533988     -2.37994200
  H     -0.85360464     12.75361218     -0.53326345
  H      2.35167834      6.84352915     -4.00939300
  O      3.92019159      9.53201942     -5.69828719
  H      3.34475475      7.85149192      0.20459424
  H      1.19685687      5.91349928     -4.45166046
  O      2.34385725     11.59945772      0.79759060
  H      4.15530249      8.58249237     -0.90019335
  H      1.09577158      8.33295099      1.04120484
  O      1.38335301      6.75512965     -4.04417207
  H      2.12848068     13.21527455     -3.91960231
  H      1.32632994      6.81981009      1.26302642
  O      1.52098079      7.53923371      0.66762553
  H      2.92874250     14.10993372     -4.89438513
  H      6.86827599     12.55805595     -1.05129139
  O      5.99113695     12.30031216     -1.32326667
  H     -1.20370168      9.07412527     -2.06856719
  H      5.65686384     11.69557520     -0.63712958
          69
 Energy    -248.25992682755844     
  O     11.92185181     10.16494000    -10.53701872
  H     11.88397690      9.37226292    -11.08472876
  H     10.64944697     10.74396314    -15.51685155
  O     15.10370755     10.37051559    -12.53683891
  H     11.52777516     10.86741519    -11.06717513
  H     15.83388330     13.08823522    -14.40322660
  O     17.63740578     12.83006176    -13.96206151
  H     14.48295605     11.08138328    -12.34581837
  H     14.64526884     12.22778038    -14.91632738
  O     16.35067760      7.16091602    -14.16900480
  H     15.95127456     10.68644289    -12.20212828
  H     14.70657219     12.98591261    -10.62809362
  O     11.17023439     12.05546940    -12.56801101
  H     17.79997498     11.94140924    -14.33013054
  H     15.18149943     13.70411703     -9.34085270
  O     12.64624643     14.11111660    -15.94252785
  H     18.34060126     13.39102331    -14.27867419
  H     18.38166115      9.64922604    -14.33356354
  O     14.00144246     10.73027264    -15.73686533
  H     17.22758230      7.39932139    -13.84088451
  H     17.33866816      9.91563597    -15.43108042
  O     15.80563196      8.11631459     -9.39782189
  H     15.75450300      7.24685162    -13.41351996
  H     17.50065786     12.21714108    -12.18077514
  O     13.75064044     12.89372161    -12.06485259
  H     11.36212444     11.30101474    -13.14629253
  H     16.75298637     12.20471347    -10.80758267
  O     18.82480992      8.18798310    -13.23011215
  H     10.76181013     12.72091927    -13.13449508
  H     11.86694034      9.17256791    -13.69263828
  O     14.29799791     10.32620809     -9.09153331
  H     12.61790195     13.47539535    -16.66762982
  H     12.62299548     10.13002685    -14.67828938
  O     10.26644163     11.36430594    -16.15371575
  H     13.46843344     13.92785293    -15.46828523
  H     16.04053179      8.20046022    -15.51436838
  O     14.88539728     13.10359926    -14.57590500
  H     13.56660421     11.03313685    -16.54483482
  H     16.16649535      8.35201312    -17.04729593
  O     15.31950595     12.92512112     -9.87281904
  H     14.66234654     10.06293373    -15.96239391
  H     12.19723401     11.81708531    -18.68017524
  O     18.03083546     10.33935095    -14.91087227
  H     15.82602336      7.65190838     -8.56594043
  H     11.58045507     11.65874327    -17.26924187
  O     17.36079042     11.70880301    -11.37232488
  H     15.26736286      8.91761887     -9.25692370
  H     12.99358221      7.76192765    -12.21762055
  O     11.76973350      9.94624457    -14.26021827
  H     12.81773652     12.67562280    -12.18744329
  H     11.61580129      7.05729952    -12.25434964
  O     15.97026378      8.83627837    -16.24964708
  H     14.12633932     13.07925217    -12.93653964
  H     17.36022555      8.74296059    -10.28556588
  O     12.40236607     11.86590446    -17.75089907
  H     19.67921678      7.77177412    -13.15753560
  H     17.92914324     10.04276869    -10.90777711
  O     12.04178383      7.90377142    -12.35982632
  H     18.58080760      8.48255443    -12.33379293
  H      9.76940070     14.59050219    -14.66315997
  O     18.09039757      9.09351978    -10.80868676
  H     13.44321617     10.28771642     -9.54624863
  H     11.13818537     13.98398977    -15.05123279
  O     10.29216532     13.79536036    -14.60668872
  H     14.65910210     11.20180013     -9.26253193
  H     14.84432770      8.70909122    -12.21464256
  O     14.72248643      7.77560102    -11.96360011
  H     10.09025054     12.17214783    -15.65592644
  H     15.07915482      7.69799807    -11.07121313
          69
 Energy    -248.25987359991421     
  O     11.64311336     11.34721394    -14.49015031
  H     12.41955214     11.89188963    -14.67614190
  H     18.57680929      7.20730858    -15.34593536
  O     15.10292294      6.90110308    -12.71147620
  H     11.70559530     10.56234657    -15.05065011
  H     13.63749789      8.91355353    -14.94516517
  O     17.91942326      9.95653779    -13.05566882
  H     16.06276404      6.91336709    -12.60086054
  H     15.09305683      8.64187872    -15.39887903
  O     16.06348890      8.24962733    -16.89808204
  H     14.87801182      7.58357246    -13.36174881
  H     11.33216146     10.98869688    -12.85240808
  O     11.43199650      6.55477492    -14.50830707
  H     17.03707297     10.35571659    -13.09436740
  H     10.40611249     11.16576320    -11.62499007
  O     16.07763629     10.56703275     -9.23835531
  H     18.27630682     10.18633803    -12.18815066
  H     18.44277044      8.59400801     -9.90016908
  O     13.82294034      7.76227214    -10.46024459
  H     16.90081449      8.61046972    -16.58186138
  H     18.09713649      7.31953697    -10.68107623
  O     15.35441825     10.94385487    -13.13488222
  H     16.10843790      7.28549208    -16.81419340
  H     12.22924835      7.73556534    -11.48021714
  O     16.10482053      5.50674247    -16.43856620
  H     10.62973194      6.03889737    -14.50875467
  H     11.34614953      8.83545969    -12.09386730
  O     15.79724312      7.82188365     -8.43828301
  H     11.47046967      7.00501553    -13.64443692
  H     18.30572488      9.47618536    -14.75647330
  O     14.02324212      5.32230579    -14.72232053
  H     15.27286759     10.73727822     -9.74479371
  H     19.18516693      9.62853080    -16.01382367
  O     18.47956732      6.30288759    -15.02383884
  H     15.94582984      9.70252667     -8.82915475
  H     18.14963841      6.73659377    -13.30605547
  O     14.54555247      8.83116219    -14.62678582
  H     14.29428671      7.38874567    -11.22179789
  H     17.86167360      8.12889475    -12.68043661
  O     11.20021269     10.73022448    -11.92158378
  H     14.41410552      7.68720571     -9.70211352
  H     17.65707350     10.59345621     -9.97979609
  O     18.14803273      7.68276730     -9.78586800
  H     14.85402337     10.87696250    -12.31043973
  H     19.11919422     11.09279395     -9.91409668
  O     11.55548123      7.89554121    -12.15284975
  H     15.04269855     10.21815451    -13.69941391
  H     14.49943627      8.59314676    -17.81834888
  O     18.44760364      9.13938707    -15.65627845
  H     16.09322362      4.76311692    -17.03535175
  H     13.66853829      9.29358265    -18.90303441
  O     17.84093769      7.17864783    -12.50260116
  H     15.33764141      5.40226570    -15.84758263
  H     12.90062578     10.72760491    -11.16393411
  O     18.54282517     10.48736304    -10.37276012
  H     16.64590413      7.68314384     -8.89606340
  H     13.81497184      9.56174292    -10.73075796
  O     13.59629578      8.71161470    -18.14961149
  H     15.87256262      7.39965515     -7.58683753
  H     14.58646871     12.23394238    -14.19332567
  O     13.79914306     10.51908412    -10.88033053
  H     14.40720697      5.69387651    -13.91519391
  H     14.33228052     13.67758177    -14.65038969
  O     14.03956173     12.77866281    -14.78007581
  H     13.12283706      5.66457639    -14.75302702
  H     11.75243409      8.08051312    -15.53287913
  O     12.05050546      8.94084671    -15.85476546
  H     17.71571959      5.93477654    -15.48509491
  H     12.47384740      8.81988842    -16.71687716
          69
 Energy    -248.25983784309605     
  O     -7.99981191     -2.80486079      5.84579277
  H     -7.15322116     -2.45502485      6.14295542
  H     -3.09340566      0.99673144      2.36595167
  O    -10.23997242     -2.45801579      2.00852426
  H     -8.65473587     -2.13632235      6.09247246
  H     -7.13936586     -0.86578556      2.98666510
  O     -8.39588505     -4.04737072      3.49368151
  H     -9.69792263     -3.06745338      2.52350862
  H     -7.59435399      0.60059871      2.64925690
  O     -5.63935080      0.83780325      0.43637139
  H    -10.44773954     -1.72068514      2.59826744
  H     -5.00504039     -1.66084364      7.30707491
  O     -7.03726014      0.87708839      5.83341473
  H     -8.27458051     -3.62735225      4.36567000
  H     -5.12054028     -1.51953994      5.76903592
  O     -4.56286843      5.22934196      1.57739278
  H     -8.49224141     -4.98244275      3.65162654
  H     -0.82059020      2.18040187      1.86660024
  O     -9.59227328     -0.58332389      6.37992119
  H     -5.89304970     -0.02355086      0.08389347
  H     -2.04917518      2.88113783      2.49890852
  O     -4.43200194     -1.70671349      4.19664275
  H     -6.45774803      1.29044354      0.68617726
  H     -8.12174508      2.47574964      5.35426496
  O     -3.88073798      3.04725767      0.10522182
  H     -7.23108388      0.53413805      4.94400329
  H     -7.90800641      3.60409933      4.32521841
  O    -10.32823012     -0.21711950      3.67732797
  H     -6.55144490      0.17064644      6.28012520
  H     -9.79815120      2.74192538      3.63221833
  O     -6.54798028     -1.72311056     -0.35305018
  H     -4.46325591      6.03021801      1.07028577
  H    -11.04291639      3.14660747      2.80848122
  O     -3.90884784      0.56010518      2.64226015
  H     -4.35188895      4.48838552      0.98093453
  H     -7.08249304     -3.08033395      2.63955587
  O     -7.57840405     -0.07980173      3.33363591
  H    -10.04014889     -0.44188961      5.53442691
  H     -6.43402505     -2.33073770      1.41957472
  O     -5.59882841     -1.39707463      6.60963323
  H     -8.86075132      0.04217697      6.39200720
  H     -9.95647453     -1.18964399     -0.84277211
  O     -1.77314320      2.20462101      1.85421443
  H     -5.05614613     -2.12593974      3.58858877
  H     -9.61697673     -1.89970639      0.47986842
  O     -8.58627594      3.14621800      4.84110487
  H     -4.10338802     -0.93817503      3.71266310
  H     -3.39823456      4.57585343      2.98713697
  O    -10.35461195      2.48995108      2.87257402
  H     -3.07842925      2.73224193      0.54046961
  H     -3.48491590      3.52311541      4.11281992
  O     -6.40885494     -2.43840748      2.37735348
  H     -4.48077360      2.29117037      0.07201173
  H     -5.52240348      1.84576423      5.15806202
  O     -9.23096349     -1.55356764     -0.34327156
  H     -9.36462755     -0.28053521      3.58022619
  H     -4.57111064      1.63036395      3.94860928
  O     -2.86182904      4.01772495      3.56435017
  H    -10.55268196      0.67478834      3.38786639
  H     -7.37943075      2.77224701      2.03307564
  O     -4.88605396      2.28883291      4.58611463
  H     -6.27766619     -2.23914205     -1.10803705
  H     -8.78304574      2.18211179      1.77554567
  O     -7.85122223      2.07444362      1.55229203
  H     -7.51890021     -1.64735369     -0.39461962
  H     -5.92419462      3.38577005      3.62568760
  O     -6.51728579      3.94109663      3.09685971
  H     -4.51798596      0.59711569      1.89245132
  H     -5.95179702      4.51979993      2.57193801
          69
 Energy    -248.25974462598649     
  O     16.09054701      6.13483230    -12.49730711
  H     15.54685406      6.86888540    -12.18159923
  H     20.30074490      5.22691891    -13.85933545
  O     19.83659899      8.51744273    -13.17457973
  H     16.97809261      6.23488809    -12.12760338
  H     15.33076043      8.90422551    -19.38856098
  O     15.80616905      6.16638502    -17.88354016
  H     20.25121176      7.92484165    -13.81267355
  H     15.70561334      7.84999379    -18.32494572
  O     13.92943952      5.12113242    -15.97198479
  H     19.22163023      9.06117717    -13.69064305
  H     15.62167954      7.86876733    -15.24002177
  O     17.13897655     11.43575200    -10.62473938
  H     15.14831652      5.81788936    -17.26715324
  H     16.24332310      7.00874238    -14.08883771
  O     14.54208143      8.39515194    -12.05097634
  H     16.66820430      5.93953846    -17.51527513
  H     15.11866683     11.44203930    -14.42195938
  O     17.92776951      9.74693311    -14.69088362
  H     14.48869853      4.65260766    -15.32614112
  H     14.19776885     12.45073171    -15.14812117
  O     18.16001273      3.32488838    -14.91402531
  H     13.24329198      4.50964869    -16.22865185
  H     18.37198907      7.53276833     -8.23141864
  O     15.94347938      8.99903696     -9.66953412
  H     17.98734797     10.96048735    -10.68852518
  H     17.41969872      8.15421181     -9.28273373
  O     18.15849284      5.81345115    -16.26706435
  H     17.31384581     12.25068965    -10.16225270
  H     13.31398181      6.48326772    -14.65236675
  O     15.51611146      3.96888495    -14.12551902
  H     13.93466801      8.02470187    -12.70942371
  H     13.32765761      7.99092965    -14.85210929
  O     19.87958330      4.59868644    -13.25986356
  H     14.95754820      9.17068134    -12.45012627
  H     19.76277828      6.39950141    -15.63875636
  O     15.58738018      8.80485606    -18.47539854
  H     17.78075795     10.21527456    -15.52375649
  H     21.26589444      6.69035040    -15.83567421
  O     16.44066528      7.48441257    -14.90646916
  H     17.45567233      8.90244300    -14.76981596
  H     19.04967674      7.23350885    -12.12658055
  O     14.75299767     11.68839021    -15.28878603
  H     18.77487858      3.69439207    -14.25523499
  H     18.60600799      6.83365823    -10.69138846
  O     18.31055502      7.78265825     -9.14905384
  H     18.49562314      2.46479873    -15.15193406
  H     19.69563532      9.51125450    -11.55264554
  O     13.14564073      7.31005209    -14.18779103
  H     16.22834046      9.89315891     -9.89540292
  H     19.17855908      9.19697299    -10.13015016
  O     20.58414135      6.62510409    -15.17130039
  H     15.33524235      8.72942854    -10.36986788
  H     14.33191158      9.95238976    -15.78169902
  O     18.68008194      6.51150001    -11.59826997
  H     17.53310917      6.38358617    -15.79137444
  H     14.57985639      8.94842692    -16.93102462
  O     19.38416780      9.92058308    -10.73566872
  H     18.09705547      4.92922551    -15.88128114
  H     16.69082462     10.38830759    -13.55397182
  O     14.24791619      9.02288022    -16.02756867
  H     16.39034382      3.64122311    -14.36662245
  H     16.30140050     11.05696486    -12.20664668
  O     15.93952789     10.70252261    -13.02839268
  H     15.66066616      4.64187665    -13.44462015
  H     16.60136506     10.20906225    -17.56198961
  O     16.97645460     10.90226018    -17.00449893
  H     19.48317156      5.13454337    -12.55942154
  H     16.22721122     11.31860733    -16.56076473
          69
 Energy    -248.25939933395995     
  O      1.28854837      1.82841255      2.50935544
  H      1.42649660      0.90381651      2.28022249
  H     -1.82078891     -4.21100829      3.00349975
  O      1.04775472      3.07029824     -0.03420754
  H      1.27545468      2.31027175      1.67147803
  H     -5.47591049      1.18792055      3.89066264
  O     -1.69813637     -1.54111733      4.48399188
  H      0.07860552      3.11536453     -0.13294415
  H     -4.60796844      0.07923778      3.26079888
  O      1.34226290     -3.89595890     -2.14308225
  H      1.40220457      3.87969633     -0.39137156
  H     -2.83689410     -0.32514013     -0.68661474
  O     -1.56591513     -1.35966779     -3.89946977
  H     -0.75321587     -1.74280012      4.54905050
  H     -2.58711514     -0.62530193      0.80101639
  O      1.19788522     -1.37646827     -3.10885210
  H     -1.89444629     -0.76350901      5.02404938
  H     -0.58139365     -3.94605917     -2.45430580
  O     -2.57958092      2.39122035      2.28277520
  H      1.37301040     -2.99350795     -2.51012890
  H     -1.88038282     -3.75146045     -1.64657810
  O     -1.72339085      0.55414634     -1.84733425
  H      1.99709317     -4.40674287     -2.61064957
  H     -1.75735181      0.74898116      2.16174581
  O      0.96993063      0.42407656     -0.97065495
  H     -1.98395586     -1.47222623     -4.74895425
  H     -1.63264646     -0.61353677      2.92791600
  O     -4.62317130     -1.46726984      2.38850058
  H     -1.63121619     -2.21522256     -3.43893452
  H      0.90659604     -3.65940858     -0.38005512
  O      0.09311745     -4.75636989      2.87389200
  H      1.24039583     -0.69817545     -2.42105379
  H     -0.44378849     -3.37262384      0.33517147
  O     -2.58844383     -3.63039744      2.94150425
  H      0.32713674     -1.28941682     -3.51575926
  H      0.73325808     -3.18885531      3.81492224
  O     -4.57632839      0.96272155      3.66647405
  H     -1.97472662      2.68807399      2.97702183
  H      1.18553722     -1.79808143      3.33906909
  O     -3.18757451     -0.82102603      0.06299757
  H     -3.35582852      2.00970748      2.71417493
  H      0.15578060     -0.63356245      1.69965861
  O     -1.51589535     -3.72226801     -2.54070576
  H     -1.76452992     -0.00324339     -2.63450698
  H      0.99689814     -1.81615524      1.14641645
  O     -1.46526080     -0.16759400      2.08588531
  H     -0.81551933      0.48304442     -1.51939548
  H     -0.22896087      3.48615053      4.72981956
  O      0.51299453     -3.44831534      0.47552648
  H      1.12184753      1.35385351     -0.75936557
  H      0.10340506      2.40483596      3.67816201
  O      0.92773386     -2.29417088      4.12358565
  H      1.08073580     -0.06412267     -0.14515802
  H     -1.75113502      1.53203591      5.17722831
  O      1.06602274     -0.92299164      1.51216851
  H     -4.17782600     -2.28723531      2.62231262
  H     -3.18200138      0.97241275      4.99875964
  O     -0.60972615      2.76647310      4.23291537
  H     -4.34272701     -1.26457217      1.48481390
  H     -2.60667730     -2.50625872     -0.00138549
  O     -2.37808004      0.88743052      5.52764074
  H      0.32625771     -4.39288278      2.00363369
  H     -2.44971741     -3.57794325      1.09394971
  O     -2.23451949     -3.38333529      0.17231595
  H      0.46757786     -5.63310462      2.91477832
  H     -2.07886369      2.80184755      0.53628934
  O     -1.62986064      2.95639111     -0.30575255
  H     -2.37873671     -2.90103244      3.54638081
  H     -1.85745656      2.22375886     -0.89140638
          69
 Energy    -248.25925186806501     
  O      0.11822142     -1.03889438      5.67859041
  H      0.42546236     -1.07624033      6.58157299
  H     -6.70000129     -2.24793535      2.75907041
  O      3.27745697      0.54634756     -1.44660348
  H     -0.38434746     -0.20890248      5.59410746
  H     -3.53356468     -1.56751734      4.69212794
  O     -2.22948213     -2.65471280      5.18150484
  H      3.17110064     -0.41070505     -1.51674440
  H     -4.16272548     -0.11683993      4.56648061
  O      0.70674693      1.05519688     -0.37769398
  H      2.38864328      0.88626042     -1.27653285
  H      0.34958872      1.80577454      2.61233261
  O      2.74570178     -2.25737878     -1.12168934
  H     -2.10442438     -3.32084648      4.49457294
  H     -1.00960532      2.16140613      1.94126114
  O      3.73668999     -1.79228793      1.38307596
  H     -1.38140079     -2.21397938      5.31240996
  H     -2.29859185      1.27975097     -0.00950114
  O     -4.08848929      2.22772524      2.15323284
  H      1.14177452      1.08989484      0.48589463
  H     -0.91937488      1.91438698     -0.09993229
  O     -3.70652287     -3.27296438      1.11335886
  H      0.43172020      0.13539290     -0.50036508
  H     -2.67745110     -0.64989507      3.06829676
  O     -1.28358985      1.26913156      5.35449866
  H      3.09194646     -2.17051511     -0.21545370
  H     -1.50655580      0.32488544      2.70295583
  O      4.50288948      0.94203453      0.95240166
  H      3.18647443     -3.00715527     -1.51287464
  H     -0.04922590     -2.06567346      0.25047155
  O     -5.20631469      0.19205613      0.63877937
  H      3.17056721     -1.76517184      2.16420662
  H      0.89988363     -1.92423296     -0.95320524
  O     -5.87761289     -1.98516658      2.35505790
  H      4.13975100     -0.91703800      1.32028244
  H      1.11890827     -1.89629091      2.85038705
  O     -4.14571970     -1.00588992      4.19107789
  H     -3.37764171      2.49745847      1.56595629
  H      1.30892006     -1.25192262      4.23421309
  O     -0.58748144      1.97104367      2.78856561
  H     -4.59287426      1.56808958      1.65272354
  H     -4.05332549      1.94879241      3.87420684
  O     -1.81074421      2.06885104      0.24753567
  H     -3.36872424     -2.58262124      0.53402565
  H     -4.63066928      2.32282903      5.25902424
  O     -1.91641377     -0.52167656      2.49038780
  H     -4.52922944     -2.92693641      1.48472439
  H      2.86930189      1.20314428      1.84529013
  O      0.03092411     -1.65981447     -0.62576717
  H     -0.95833994      1.67601087      4.53813806
  H      1.89364424      0.25978381      2.59523932
  O      1.73976187     -1.37250066      3.37920624
  H     -2.23355772      1.43085887      5.34518939
  H     -2.68889368     -4.09159830      2.27693781
  O     -4.05251295      1.70596678      4.81848584
  H      5.31561253      1.43681108      0.89831060
  H     -2.20506421     -5.41409439      2.91885584
  O      1.95708974      1.11559993      2.14626587
  H      4.15550330      0.86691308      0.04544214
  H     -0.82608265     -1.86220280      2.21502935
  O     -2.07052038     -4.47036217      2.92804851
  H     -5.57503752     -0.53207202      1.15945648
  H     -0.71437467     -3.40091550      2.25630706
  O     -0.25127779     -2.60610202      1.96816163
  H     -4.45631727     -0.18552308      0.16331163
  H     -1.83034303     -1.11039069     -0.55797089
  O     -2.64773537     -0.81196219     -0.14109429
  H     -5.30747820     -1.64110716      3.06624020
  H     -2.43404925     -0.67447727      0.79754783
          69
 Energy    -248.25924599608570     
  O      1.84976171     -1.60907539      4.42508020
  H      1.01655653     -1.95945935      4.78779318
  H     -4.51069184      0.29254127      3.93913991
  O     -0.12785131     -0.12838431     -3.09748339
  H      2.55168092     -1.97908374      4.95555735
  H     -1.71439629     -0.10563620      4.61013859
  O     -0.50544466     -2.46945330      5.44925466
  H     -0.61505857      0.33465200     -2.40469669
  H     -1.60634506      0.82720667      5.82151404
  O     -1.29915877      0.80217203     -0.63068858
  H     -0.38311624     -1.05681651     -3.01969639
  H      0.99890471      1.55816669      1.56413838
  O     -0.64527674     -2.86627395     -2.42370782
  H     -1.11994036     -3.06647200      5.00753635
  H      1.09385089      1.76276037      3.11571042
  O      1.73692913     -2.75231557     -1.11908247
  H     -1.01470198     -1.67924967      5.67884255
  H     -3.02306318      3.47602775     -0.06054778
  O     -1.51537461      3.46792516      3.20029357
  H     -0.39579832      0.70800773     -0.29625928
  H     -2.25106317      2.15388064      0.12308890
  O     -4.51283067     -2.63638140      3.29658653
  H     -1.72048718     -0.06254277     -0.53383543
  H     -0.79842378      0.71160899      2.63875825
  O      1.61784309      1.25393965      4.72438785
  H     -0.67339156     -3.63851213     -2.98214044
  H     -2.32581052      0.35993516      2.59432999
  O      2.47305958     -0.23052219     -2.27860564
  H      0.19823516     -2.90206871     -1.93727222
  H     -1.85661336     -2.23992745     -1.18367704
  O     -4.03192353      0.85993194      2.16037174
  H      1.79307603     -2.62491312     -0.16368719
  H     -1.90850214     -2.14481022      0.36613985
  O     -4.59130054     -0.26870004      4.72135218
  H      2.15611534     -1.97917940     -1.51801111
  H      0.61191397     -2.27664184      1.66677468
  O     -1.88540221     -0.05976826      5.56388426
  H     -2.13349790      3.40485426      2.46854836
  H      1.80000588     -1.84266160      2.53885545
  O      0.57668237      1.97614825      2.32358401
  H     -0.69213324      3.09560334      2.84339313
  H     -0.81711837      3.25788459      6.32519298
  O     -2.82644989      2.79286847      0.57570116
  H     -4.67209404     -2.31989597      2.40227759
  H     -1.16617538      2.89650568      4.86741257
  O     -1.44782489      0.02089585      2.81787984
  H     -4.62133168     -1.86737745      3.87699196
  H      1.86220130      0.30808417     -0.59575032
  O     -2.32957219     -1.82963228     -0.44977547
  H      0.84170886      1.53933235      5.22073480
  H      1.45111634     -0.40303401      0.72363247
  O      1.53371127     -1.97989597      1.62179544
  H      1.63375806      0.28888015      4.72575850
  H     -3.14755653     -3.57875091      3.72340635
  O     -0.85338622      2.52836030      5.71177563
  H      3.10116449      0.12566371     -2.90056237
  H     -2.54770659     -4.96380772      4.06687653
  O      1.35940301      0.41838980      0.21890631
  H      1.59053307     -0.13900872     -2.68016611
  H     -1.49051628     -3.14962513      2.52922112
  O     -2.31413255     -4.05659652      3.89236088
  H     -3.78467010      1.59370467      1.58307933
  H     -1.24218814     -1.62925783      2.28462217
  O     -1.13899191     -2.51394055      1.89505020
  H     -4.38097279      0.15152002      1.60323089
  H     -3.97381563     -1.59310951      0.18026471
  O     -4.79684042     -1.40187236      0.65989484
  H     -3.75065857     -0.18508916      5.18972780
  H     -5.51654242     -1.59206683      0.06321313
          69
 Energy    -248.25872875626698     
  O     -0.26722426      2.55189376     -1.41658074
  H      0.65382231      2.59247140     -1.70599816
  H      0.94995135     -1.32969323      3.23585952
  O      3.79924489      0.82296554      1.78784819
  H     -0.28654368      3.00756460     -0.56190137
  H      3.43184142     -1.26110198     -0.22498645
  O      1.08812866      1.05391167      1.31470784
  H      2.84776626      0.93216553      1.62768300
  H      4.63028523     -2.16396498      0.14257578
  O     -3.03084184      1.87566214     -0.83407074
  H      4.02216498     -0.04652662      1.44168330
  H      3.87411176      1.63446998      3.45089388
  O     -2.85825388      2.56379402      1.81109105
  H      0.66410535      1.92074968      1.29302554
  H      3.74057065      3.10605775      3.86304146
  O     -0.10963430     -0.18517280     -0.89891408
  H      0.76331892      0.55885053      0.55181905
  H     -4.71444827      4.27453445      3.81028914
  O     -2.59903443     -0.77361387      0.27155950
  H     -2.19823728      2.14520793     -1.24106804
  H     -3.56603109      3.47625540      3.15196532
  O      2.53533480      2.50364647     -1.86724338
  H     -2.94481700      0.93631986     -0.62669308
  H      0.89655635      3.21168045      4.09398278
  O      3.71056878      3.27858172      0.45535771
  H     -3.06529020      2.41581318      0.87683460
  H     -0.01272011      4.45660079      4.21023565
  O     -1.44853088      4.66991273      5.24738132
  H     -2.61324982      1.70875230      2.19155330
  H      2.12240766      1.75992511      4.87303212
  O     -2.23354326      0.03377500      2.88515357
  H     -0.94101887     -0.51229547     -0.53590852
  H      0.93091278      0.79987604      4.55838116
  O      0.43440153     -0.53098299      3.40727466
  H     -0.25810436      0.72986772     -1.18222053
  H     -3.52237755      2.15595219      4.86394044
  O      3.87592716     -1.71455407      0.51451369
  H     -3.18230396     -1.52653237      0.21459447
  H     -2.40284594      1.54849650      5.72288894
  O      3.71922198      2.20871731      4.21431606
  H     -2.52109496     -0.55424595      1.21494799
  H     -0.68309763      2.08904571      7.59312551
  O     -3.87785952      3.85442162      3.99212747
  H      3.01228446      2.91797732     -2.58223461
  H     -0.12383588      2.00144815      6.15597023
  O      0.73070906      4.08479545      3.71352303
  H      2.93175549      2.83714521     -1.04255082
  H      1.64164336     -0.50509598     -1.38947659
  O      1.17607657      1.61222041      5.02108489
  H      3.93021881      2.43415045      0.87296978
  H      2.70063343      0.57575362     -1.63428910
  O     -3.12909738      1.31620150      5.13048354
  H      3.55655231      3.88963597      1.18445836
  H     -1.21084381      3.23114437      1.44862464
  O     -0.90760909      2.24217183      6.67881204
  H     -2.30775460      4.51222935      4.83675173
  H      0.09219429      3.81782714      2.03565180
  O      2.59664822     -0.36692820     -1.45970443
  H     -1.31312812      3.93341237      5.85775042
  H      2.68906287     -2.32665650      1.83514231
  O     -0.29912835      3.46615471      1.22545328
  H     -2.63150508      0.35866335      3.70711974
  H      2.30168966     -3.49668609      2.74872278
  O      2.07255303     -2.59594586      2.53122985
  H     -1.33334926     -0.24328949      3.10456980
  H      2.34408680      4.62560641      3.18319894
  O      3.25864904      4.75440047      2.88064551
  H      0.65100386      0.07320348      2.67848715
  H      3.51506335      5.63064510      3.15776431
          69
 Energy    -248.25852816186722     
  O     18.45183884     11.30760966    -18.45713568
  H     17.50912919     11.47994839    -18.29111047
  H     16.14384716      4.53621305    -16.03758064
  O     15.64446844      6.10333515    -13.01500987
  H     18.68210954     11.78170622    -19.25217121
  H     16.79954985      6.07420863    -11.71750492
  O     18.10060237     12.52333219    -11.88590746
  H     15.85112011      5.86156186    -13.92585310
  H     17.26660838      5.46088924    -10.37608838
  O     21.44391399      8.61102752    -12.50232298
  H     15.15063213      6.93159862    -13.04185519
  H     21.01526453     10.17188479    -15.34383867
  O     16.07543879      7.40966237    -17.34221761
  H     18.07474817     12.86570342    -12.78583206
  H     21.39531797      8.74886308    -15.77953210
  O     13.96437733     11.58542152    -12.82880431
  H     18.51276541     11.65064895    -11.95932477
  H     18.43807375      8.12680746    -14.90769951
  O     14.70370232      8.80575477    -12.82722906
  H     22.29981726      8.71994965    -12.09660623
  H     17.21878089      9.09160074    -15.00022279
  O     18.00328051     13.20788369    -14.67101381
  H     21.53733212      8.88979636    -13.43082622
  H     15.14517690     11.06469058    -18.14045010
  O     19.79531855      6.25560837    -12.61447023
  H     15.76613367      8.11393950    -16.75662779
  H     15.60220802     11.97747676    -16.99329530
  O     15.47779228      9.32648303    -15.41722591
  H     16.88546073      7.73476853    -17.76209285
  H     17.54872254      9.28355611    -11.31799049
  O     19.00460441      6.38801556    -15.19444126
  H     13.14103180     11.97041714    -12.54081117
  H     16.95566024      7.97955345    -10.75797024
  O     16.43239760      5.35866122    -15.65139991
  H     14.58268568     11.64930053    -12.07659980
  H     16.54482210     12.03018774    -11.11158008
  O     17.43704324      6.17350137    -10.98656135
  H     14.27335501      9.66851807    -12.79836666
  H     16.00514682     10.67659316    -10.60889450
  O     21.56940399      9.41871303    -15.10593109
  H     15.41448627      8.84237152    -12.16909772
  H     19.85787043      9.52533767    -12.17708831
  O     18.14501869      9.02980933    -14.73639217
  H     18.33972415     14.05488971    -14.95410658
  H     18.63366423      9.59498529    -13.11389903
  O     15.80199709     11.71863015    -17.90543471
  H     18.58791407     12.53188263    -15.05254914
  H     21.29893385      6.75858129    -17.38382644
  O     16.75032458      8.90826621    -10.91730384
  H     19.07240560      6.28702943    -11.97605100
  H     20.15992480      6.97214185    -16.35934326
  O     15.73787488     11.57937274    -10.81837704
  H     20.36294107      7.01893731    -12.45301978
  H     14.91828276     12.03727971    -14.36937040
  O     18.96584912      9.88305355    -12.25036106
  H     15.15599328      9.04871218    -14.54775200
  H     16.29593006     12.52736930    -14.91700230
  O     20.75637638      7.43050300    -16.97820769
  H     15.47540908     10.29200982    -15.41329592
  H     19.00219347     10.39615310    -15.49414119
  O     15.45796570     12.11548651    -15.16701243
  H     19.29343275      6.23785858    -14.28020785
  H     19.21137243     11.24598914    -16.77907000
  O     19.44655331     11.18503107    -15.84409793
  H     18.16805123      5.93019412    -15.33618391
  H     19.27101269      8.15286092    -17.97170080
  O     18.44123208      8.43259104    -18.37540854
  H     16.25794181      6.05634305    -16.30987039
  H     18.49218093      9.39076936    -18.46408353
          69
 Energy    -248.25797985408485     
  O     12.41323880      5.52003856    -15.26801467
  H     12.72690264      6.43132834    -15.18026162
  H     15.75351419      5.75279191    -15.49919950
  O     17.46720357      6.11271256    -12.92221652
  H     13.17474889      5.01393472    -15.57464859
  H     18.23998204     10.63107450    -13.11654179
  O     16.16961054      8.83558651     -9.31736987
  H     17.13240663      6.30933263    -13.80998098
  H     17.85881971     10.73479233    -11.59770854
  O     17.79861759     11.22596616    -14.76792101
  H     18.29209886      6.58831105    -12.76588525
  H     14.69854488     11.77618497    -13.48896919
  O     14.89941995      4.11408667    -15.70823610
  H     16.12297814      8.67062698    -10.27010586
  H     15.97056934     11.75744908    -14.38247039
  O     14.40481155      6.84360422     -8.56790044
  H     15.49456772      8.26486775     -8.92365905
  H     16.55938211      7.59249400    -12.33184833
  O     15.64838664      4.76290505    -11.36588746
  H     18.31466901     11.78596082    -15.34228568
  H     16.87055873      9.11241700    -12.24757622
  O     13.51840272      8.72824511    -12.15837423
  H     17.51228309     10.46259452    -15.30149251
  H     10.80855223      4.19672669    -12.85437554
  O     19.55996195      7.76403319    -11.95783218
  H     14.71799464      3.74925209    -14.82296032
  H     11.86952227      4.91779225    -13.71931009
  O     16.64024890      4.99732836     -8.77030727
  H     15.07987560      3.37178022    -16.27849245
  H     18.79483664      7.23960605    -10.20702831
  O     14.14521900     10.26028112    -16.39182500
  H     13.84375491      6.62178412     -9.32159713
  H     17.69106334      7.75894619     -9.25805319
  O     16.03944551      6.63679629    -15.23416128
  H     15.07063113      6.14631731     -8.51987054
  H     14.78158997      3.64690796    -12.53258855
  O     18.34953145     10.21311287    -12.25230372
  H     16.34344173      5.16286173    -11.90778946
  H     13.33299945      3.52642512    -13.03724017
  O     15.01134247     11.85715910    -14.39807719
  H     15.98680796      4.71530455    -10.46325378
  H     15.73984148     11.47454062    -10.88719956
  O     16.18155659      8.45110409    -12.10899348
  H     13.24012817      7.90761048    -11.73086869
  H     16.48000907     10.60936915     -9.85699894
  O     11.69464572      4.54769384    -12.83529738
  H     14.48943404      8.67417085    -12.19157673
  H     13.47645790      8.30197256    -13.93976292
  O     18.32408992      7.03871853     -9.39237094
  H     20.51030307      7.81980870    -12.02087005
  H     13.68617597      8.77743598    -15.41047044
  O     14.23684029      3.24653780    -13.22473474
  H     19.22158814      8.67135553    -12.04475954
  H     12.59027618      5.64129069    -11.59867089
  O     16.60328953     11.34107390    -10.47897638
  H     17.30702214      5.67922085     -8.96841952
  H     14.08218891      5.73251477    -11.22160789
  O     13.60809936      7.99752642    -14.84716816
  H     17.00757241      4.44309654     -8.08731788
  H     13.28856982     11.88795914    -11.35456318
  O     13.22679809      6.17132435    -11.10369203
  H     13.67226130     10.75305632    -17.05638349
  H     13.71802630     10.49226646    -11.85470175
  O     14.00516739     11.41680204    -11.77382036
  H     14.38959760     10.88981669    -15.68889275
  H     16.68670546      8.25828485    -15.97499954
  O     16.79656518      9.18167738    -16.23363327
  H     15.22850212      7.12220908    -15.02244069
  H     15.91152737      9.50272891    -16.44931623
          69
 Energy    -248.25793308485635     
  O     15.23354147      9.90949355    -11.37358563
  H     15.51818084     10.77126209    -11.03604181
  H     12.65956166      8.22619547     -8.49097795
  O     16.95055401      4.85651640     -7.33843726
  H     15.96305411      9.57869466    -11.91625003
  H     13.62904344      7.17299870     -4.71465394
  O     16.48672972     12.12893648    -10.39949079
  H     16.88724239      5.19181419     -8.24982903
  H     14.84696446      7.24181559     -5.66799386
  O     14.09217600      4.78430132     -7.23604135
  H     17.65244429      4.21115326     -7.33009391
  H     18.00746431      5.00658558    -13.44279392
  O     13.69867317      7.78709935    -12.28213779
  H     16.61278775     12.11338513     -9.44348464
  H     19.39851686      4.40815998    -13.71898443
  O     17.42570580      8.97557958    -12.84330362
  H     17.33865411     11.90250066    -10.79527003
  H     15.91553253      5.56315445    -10.41764090
  O     18.85215155     11.10939373    -11.64783329
  H     13.90918187      5.53175732     -6.65398281
  H     16.17672678      6.79532862     -9.51612527
  O     18.62042561      7.00047804    -11.29963761
  H     15.05099490      4.67820810     -7.22865670
  H     15.59006014     11.72092804     -7.56913682
  O     12.69090286      4.51071351     -9.53427526
  H     14.11242905      7.72367352    -13.15156467
  H     16.64897374     12.64045560     -6.92006426
  O     13.88062698     11.38109905     -7.80869375
  H     14.07904976      8.58856217    -11.89365593
  H     16.25121490      8.22134147    -13.99540145
  O     12.10750844      7.28949639     -9.90011070
  H     17.93270181      9.76729694    -12.62388227
  H     15.51570404      8.16766911    -15.35174855
  O     13.12879911      8.72589351     -7.80493862
  H     17.82969228      8.24893558    -12.34523054
  H     15.46254969      8.94312890     -9.90206932
  O     13.87928725      7.12794387     -5.63354732
  H     19.10896933     10.48015967    -10.94768132
  H     14.71815637      8.43997370     -8.63512773
  O     18.94877705      5.07419667    -13.20725175
  H     19.64393384     11.57479534    -11.90310238
  H     16.82591117      6.46288729     -6.31109563
  O     16.54736922      5.94242617     -9.79354432
  H     18.88946251      6.33642806    -11.95094344
  H     17.03802352      7.99667095     -6.34016633
  O     16.54406133     11.91100433     -7.52564213
  H     17.94296138      6.58531837    -10.74878718
  H     13.88174867      4.83503313    -10.91704079
  O     15.54263355      7.77074726    -14.48438941
  H     12.06412745      3.80087506     -9.42373302
  H     14.22596923      6.08947737    -11.76027484
  O     15.54531762      8.37123296     -9.12726952
  H     13.18916112      4.57872550     -8.70019189
  H     18.91118417      9.22480403     -8.97236644
  O     16.56862341      7.28845080     -5.88153512
  H     13.34749199     11.81462603     -8.47204443
  H     19.26386064      8.39869098    -10.24166165
  O     14.52922528      5.19817329    -11.53429650
  H     13.55785521     10.46731357     -7.76676278
  H     16.90824744      8.94098898     -8.14741645
  O     19.41712800      9.24222018     -9.79416889
  H     12.48123266      7.48974481    -10.76616657
  H     17.38337167     10.22381912     -7.44914872
  O     17.61721578      9.29767563     -7.58873881
  H     12.20633925      6.33661583     -9.78141564
  H     15.65698492      4.94273689    -13.02248210
  O     16.26260633      5.08755234    -13.76099891
  H     13.25440136      8.16235664     -7.03116751
  H     16.01401854      5.94228673    -14.13290370
          69
 Energy    -248.25790701378651     
  O      6.33684182     -2.62281220     -1.51341640
  H      6.02569617     -1.77501568     -1.85711478
  H     10.28346875      1.61626451     -0.00167839
  O      7.21373406     -3.85783802     -3.76513354
  H      6.92533832     -2.38050543     -0.78666647
  H      6.29836947     -1.41724873     -5.79470288
  O      7.84686912      2.85842026     -2.36079991
  H      7.01149507     -4.78960652     -3.74560356
  H      6.91396940     -2.74929737     -5.31172914
  O     11.38107453      0.28223557      0.43084196
  H      6.87305670     -3.47934297     -2.93551098
  H      9.67958008     -1.93867515     -4.46622036
  O     11.28191834      1.25251579     -5.75602359
  H      8.49249428      2.59147726     -1.69126600
  H      8.90496076     -3.08319768     -3.75159419
  O      9.43879401      3.39675480     -6.25729627
  H      6.98602101      2.80039188     -1.93062253
  H      4.47436023      0.32666712     -5.23160630
  O     11.50109807     -2.82413141     -1.56298376
  H     11.09710616     -0.57569795      0.76656535
  H      5.55693254      0.04396095     -4.15885843
  O     10.60454990     -2.44154792      0.96259206
  H     12.04842856      0.08234006     -0.23672487
  H      8.92759824     -1.78543444      0.59333521
  O     11.43771161      3.85747965     -1.97257456
  H     10.71566151      0.49087081     -5.94442169
  H      8.49103723     -0.91831819     -0.60851634
  O     11.21030393      1.22609084     -3.02440774
  H     10.79330588      2.03054416     -6.05143743
  H      7.78926921      1.99112986     -4.01903881
  O      7.38745842      1.29170318      0.87993043
  H      9.08582301      3.69479928     -7.09197785
  H      6.91950208      1.26003087     -5.09067025
  O      9.72475957      2.36010329     -0.27921319
  H      8.78123406      2.78952482     -5.87479176
  H      6.14867944      1.86578412     -0.14671727
  O      6.91375790     -2.11819224     -6.04243576
  H     12.10476705     -2.08172417     -1.69555428
  H      4.81692655      2.60790124     -0.42464134
  O      9.69259614     -2.52628954     -3.69755407
  H     10.92023699     -2.83294947     -2.33478142
  H      5.79982576      0.69470446     -1.92008893
  O      5.40434296      0.15117593     -5.11498788
  H     10.91843555     -2.66390231      0.06679592
  H      7.06610357     -0.03332194     -2.46344326
  O      8.16850437     -1.33142745      0.20709574
  H     10.97791756     -3.08774510      1.55486891
  H      8.49147080     -1.21960663     -6.02528705
  O      7.77474025      1.67814418     -4.93414823
  H     12.15396010      4.47429313     -1.85186600
  H      8.82301456      0.12477753     -5.35350649
  O      5.54487511      2.16732612     -0.85244768
  H     10.81863528      4.26179539     -2.60651407
  H      9.12968916     -1.09663577     -2.72483805
  O      6.09770924     -0.00949196     -2.50935359
  H     11.28222795      1.25924754     -3.98997692
  H      9.62766513      0.33315404     -2.42801889
  O      9.23045611     -0.66299505     -5.73810762
  H     11.32802070      2.12013931     -2.68245848
  H      8.82294071      4.18961144     -3.26930042
  O      8.88908154     -0.27026844     -2.28365074
  H      7.58018301      0.34683030      0.81373381
  H      9.56746462      4.37311870     -4.61148298
  O      9.53451785      4.68481557     -3.69910134
  H      8.20533872      1.74652432      0.63705094
  H     12.39438614      0.13867778     -2.31694328
  O     13.00271783     -0.43376166     -1.81836119
  H     10.32378242      3.01120456     -0.66144194
  H     13.87666836     -0.27192499     -2.16349739
          69
 Energy    -248.25777527927937     
  O     16.99997297     10.69823859    -11.00438862
  H     16.13718283     10.55090021    -11.41449652
  H     13.34990417     10.25455636     -8.72942720
  O     14.97583944      5.99049282     -6.80735046
  H     17.59775421     10.06795424    -11.43303369
  H     17.76406879      3.92345364    -13.27077052
  O     12.71073140      7.44717503     -7.76359066
  H     15.04284397      5.19741903     -6.28270620
  H     17.03667127      5.27959539    -13.23888877
  O     14.73892078      9.74457280    -12.31548271
  H     15.45493050      6.68746014     -6.32358624
  H     16.03555646      7.63878131     -9.16263180
  O     18.61806463      8.80799178    -12.27626371
  H     13.06432084      8.34590950     -7.72785978
  H     15.60628780      6.29110430     -8.54348731
  O     20.84600216      9.87476677    -10.94645106
  H     13.40145935      6.87630303     -7.40758085
  H     18.00201897     12.04677005     -6.82417839
  O     18.27722083      6.49671121    -10.79264193
  H     14.55135833      8.84504399    -12.00609847
  H     19.44751527     12.37111076     -6.38171280
  O     11.71489388      7.52413505    -10.28323146
  H     15.27086183      9.63071719    -13.11235681
  H     17.05958272      9.36091820    -15.07253965
  O     16.27943547     12.31362223     -6.61658354
  H     19.46903302      9.15266126    -11.97780531
  H     17.44328214      8.93375596    -13.63866663
  O     12.66468307     10.25262701    -10.39316293
  H     18.47063639      7.97809586    -11.79794216
  H     17.06661867      9.26084410     -8.11597843
  O     14.64653109     10.39966032     -5.35928955
  H     20.37470117     10.61777360    -10.52797564
  H     16.61013482      9.84081381     -9.49820158
  O     13.82889846     10.05200756     -7.91362095
  H     21.72967383     10.17748484    -11.13561069
  H     18.44038816     11.61479709    -10.18744457
  O     17.78568474      4.78492410    -12.86424687
  H     18.20761308      5.81566859    -11.47748946
  H     19.19524879     11.84332239     -8.85166336
  O     15.89975231      6.70025312     -9.36535944
  H     17.45638240      6.46989633    -10.28288049
  H     15.76818491      8.81696573     -5.38788416
  O     18.93730793     11.82587893     -6.97543413
  H     10.83306141      7.16569515    -10.33100749
  H     17.11530395      8.30427378     -5.94694639
  O     16.70047605      9.01178985    -14.26062950
  H     12.01356496      7.41948947     -9.36173798
  H     14.77229626      6.89340960    -10.76636055
  O     16.32310728      9.33278356     -8.72855051
  H     15.70265321     12.52209398     -7.35053787
  H     13.29862465      7.16188069    -11.17771225
  O     19.31109494     11.79365163     -9.80790835
  H     15.77838443     11.69461823     -6.06677386
  H     20.35531765      8.54876088     -9.61191987
  O     16.27631148      8.01653232     -5.56097511
  H     13.29811641     10.26122692    -11.12142729
  H     19.44039729      7.31264643     -9.57645538
  O     14.20246309      7.12484560    -11.51357011
  H     12.21676230      9.39878341    -10.44608319
  H     18.75661882      9.95165630     -6.90729067
  O     19.92825550      7.92738463     -9.01176216
  H     13.93955152     10.48683086     -4.72480275
  H     19.04085893      8.59980978     -7.63868696
  O     18.46255940      9.03730277     -6.99348129
  H     14.23013899     10.29107399     -6.23356321
  H     15.10296867      6.52298945    -13.02850974
  O     15.71708226      6.34708605    -13.75453719
  H     14.72522273      9.79174006     -8.18048657
  H     16.01533922      7.21153315    -14.05933571
          69
 Energy    -248.25767822376980     
  O     11.80604794     11.22782512    -14.23914213
  H     12.46157772     11.28535625    -14.94769834
  H     19.00778917      9.13172604    -13.54853581
  O     16.65296282      7.79229154    -14.32090039
  H     12.12287327     11.80730401    -13.53662339
  H     16.11030574     13.25906179    -13.38280037
  O     16.27108674     10.17862778     -9.80549407
  H     15.97281163      7.18648976    -14.00048109
  H     15.06161541     13.90169357    -14.31564058
  O     17.56085376     12.00128076    -13.45371542
  H     17.31199316      7.92428296    -13.62903815
  H     15.81958975      9.40008832    -14.09457773
  O     14.47650146      8.99378522    -17.62457221
  H     16.27080029      9.29336868     -9.42133438
  H     16.15342033     10.88283737    -13.73718562
  O     14.24104810      6.22472247     -9.93332073
  H     15.46198635     10.25613909    -10.32859359
  H     11.41147481      9.55426641    -14.03664611
  O     14.53008561      6.23757035    -13.52133165
  H     18.12179827     11.55907869    -14.10440927
  H     10.30511001      8.47604547    -14.10203690
  O     14.07448935     10.33722370    -11.51479084
  H     17.90311161     11.75437078    -12.58378906
  H     17.43178631      6.95579131    -10.33134247
  O     19.05627774     10.29015195    -15.14468907
  H     14.05060669      8.42301459    -16.95897927
  H     18.27358258      7.21793168    -11.60661289
  O     15.91161414      4.66430783    -11.68493829
  H     14.19998783      8.66843152    -18.47700461
  H     12.52424965      7.89060791    -15.20168535
  O     17.22028279      9.02215777    -16.69886157
  H     13.66883617      6.73926446    -10.51822690
  H     13.71816469      6.93183924    -15.09010871
  O     18.77720706      8.70765665    -12.71245154
  H     14.68311234      5.57029043    -10.48832730
  H     17.69132126     10.71534158    -10.54708812
  O     15.25468665     13.70265604    -13.38766752
  H     14.94982808      5.56025130    -12.97675685
  H     19.10018172     11.34279832    -10.39401513
  O     15.43039278     10.25853415    -13.88627132
  H     14.00134595      6.78932989    -12.92630986
  H     15.54989195      7.09043990     -9.18085468
  O     11.24145124      8.59742128    -13.96873628
  H     13.61146979     11.18233123    -11.55764190
  H     16.47376901      7.26558033     -7.95382919
  O     17.80169900      6.53432156    -11.11815739
  H     14.54235053     10.25818743    -12.36140380
  H     14.36558034     12.98620572    -16.15790463
  O     13.25235677      7.50952677    -15.70719978
  H     18.41521668      9.90426465    -15.76807386
  H     14.02040818     14.39265628    -16.67266503
  O     18.50419951     10.95650568    -11.02928331
  H     19.84948472     10.46083909    -15.64607004
  H     13.32491330      8.70240234    -11.63771252
  O     16.35662458      7.53294109     -8.86169101
  H     16.64598332      5.28508348    -11.52705173
  H     12.25665463      8.01463851    -12.51036507
  O     14.59766814     13.92540074    -16.07424205
  H     16.27741828      3.78555140    -11.63743963
  H     12.61382774     13.56376198    -11.69529164
  O     12.94989247      7.83819853    -11.86192297
  H     16.36955288      9.11407960    -17.13967694
  H     13.81384352     13.16442609    -12.58390607
  O     12.99576161     12.83165255    -12.17126210
  H     17.04770222      8.42771376    -15.95179857
  H     14.08593077     10.55780390    -16.70238778
  O     13.97242233     11.23042057    -16.02111397
  H     18.70665164      9.42941532    -12.07311533
  H     14.47989339     10.91950214    -15.25514575
          69
 Energy    -248.25764055891977     
  O     16.16287403     13.06071723    -16.38499138
  H     16.03559558     13.79949084    -16.97369346
  H     15.11836632      5.07255872    -15.80739630
  O     15.98607803      6.99053109    -13.36601446
  H     15.29153767     12.86005765    -15.99751972
  H     15.52033810      9.34369499    -17.66345803
  O     18.01309976     12.62122105    -14.25396429
  H     15.85965212      7.28820943    -12.45015936
  H     15.15747011      7.93997136    -18.17499501
  O     18.70181768      6.70586603    -17.78494412
  H     16.92768744      6.97258659    -13.57752406
  H     14.79027647      9.63378590    -14.81292119
  O     17.51979496      9.96157506    -10.50535575
  H     17.44945465     12.86579270    -14.99731766
  H     15.75328754      8.66039531    -14.06691940
  O     12.11192323      7.70523767    -14.20816130
  H     17.41183535     12.32470421    -13.55751277
  H     13.15700819     10.20744192    -12.17249027
  O     13.55444646     12.09679709    -12.47098091
  H     18.96917152      7.51527821    -17.33014613
  H     12.74034956      8.80842879    -12.68384381
  O     18.48330502      4.72890363    -15.70439472
  H     18.78650923      5.99552042    -17.13721521
  H     19.13360890      8.28900601    -12.84524654
  O     15.43924196      8.04254491    -10.95668765
  H     18.19127509      9.62054854    -11.12461595
  H     19.63767093      9.73949592    -12.96558337
  O     16.14297019      6.40582951    -18.66379317
  H     17.96514233     10.12247122     -9.67827161
  H     13.66940567      9.30949606    -16.61152169
  O     13.92804572      5.59164813    -14.34110900
  H     12.70326121      6.94105252    -14.29323839
  H     12.75187892      9.01263759    -15.37247302
  O     15.84675084      4.78506265    -16.36693219
  H     11.22090899      7.36283118    -14.19610790
  H     19.60418785      9.61824765    -15.62777403
  O     14.77100302      8.77392102    -17.88625428
  H     13.31674892     12.73851245    -11.80618320
  H     18.33999654      9.46651671    -16.49424866
  O     15.66487586      9.55913034    -14.40665553
  H     14.51332316     11.95129792    -12.38970778
  H     18.75218810      7.72829250    -14.87758640
  O     13.13626547      9.27232210    -11.93846406
  H     18.79735322      3.82938919    -15.67836496
  H     18.68588853      6.20461358    -14.60514573
  O     19.29985739      9.09168063    -12.33496271
  H     17.52876917      4.68998467    -15.89566307
  H     20.92157868     11.43215514    -14.36764048
  O     13.25700938      9.69829360    -15.82304623
  H     16.08548993      8.70497070    -10.68801835
  H     19.38005897     11.55507833    -14.35551412
  O     19.11689298      8.98628470    -16.17015466
  H     14.62459675      8.51122027    -11.19532990
  H     16.67129215     11.30414496    -16.80037839
  O     18.62578202      7.06912059    -14.17956481
  H     17.07081679      6.56854246    -18.41675818
  H     16.48831648     10.05789674    -15.90844693
  O     20.11791409     10.91910834    -14.37228434
  H     16.14900759      6.12477434    -19.57533423
  H     16.04036112     10.75616884    -13.14242691
  O     16.81890357     10.35165216    -16.77307631
  H     14.69220255      6.07726261    -13.97636821
  H     16.63998838     11.00560843    -11.72509446
  O     16.20067746     11.43696742    -12.46840920
  H     13.81671733      4.81499771    -13.79671783
  H     13.61604060     12.39666571    -14.35254426
  O     13.77082364     12.37904975    -15.30415883
  H     15.80964351      5.31987763    -17.17135066
  H     13.47490460     11.50487482    -15.59539855
          69
 Energy    -248.25753569266658     
  O     12.49711652     11.42737719    -15.11097809
  H     13.27608295     11.99492143    -15.06641239
  H     18.07000984      7.68718736    -13.47677557
  O     15.34881627      6.47269321    -13.40037852
  H     12.75824104     10.63350305    -15.59190357
  H     16.20341103     11.00031121    -16.99266922
  O     17.64042947     10.24605687    -11.57567427
  H     16.19764661      6.70128391    -12.99890706
  H     17.48503448     11.47485326    -16.25605501
  O     19.23333391     10.86632551    -15.76047305
  H     14.64919886      6.67279109    -12.76176263
  H     15.38482808      8.19460305    -14.00253035
  O     14.46373790      9.29785778     -8.83759627
  H     17.51571515     10.11533233    -10.62727035
  H     16.42830707      8.99737620    -14.79285711
  O     13.34786809      7.31958801    -11.70656900
  H     16.83605848     10.65835062    -11.92349175
  H     11.57054866     10.99221887    -13.70699644
  O     15.33717096     11.19744615    -12.75038531
  H     19.99823879     11.14407415    -16.25799366
  H     10.25127884     11.06731064    -12.90038625
  O     16.96154319      7.11986857    -17.49330342
  H     19.40353312     11.09295686    -14.82949224
  H     17.23844419      7.79005330     -9.48630260
  O     14.46494086      6.45957066     -9.28985126
  H     13.97259423      9.65904241     -9.58830580
  H     17.44026775      6.97859625    -10.78024303
  O     18.12647483      8.34019600    -15.26140994
  H     14.33503402      8.34179761     -8.86606686
  H     11.35686684      8.83681534    -13.59412184
  O     14.78668708      6.24699813    -16.14364082
  H     13.60312458      6.92236597    -10.86443290
  H     12.17229708      7.58996929    -13.22342773
  O     17.80785805      7.58269147    -12.55240363
  H     13.34913617      8.27739948    -11.56648216
  H     20.25219748     11.81209204    -12.53845152
  O     16.57246788     11.71206832    -16.44926682
  H     15.37938253     10.43150518    -13.34757281
  H     18.96218502     10.97780584    -12.53710570
  O     15.55076418      9.06165648    -14.39655340
  H     15.19134251     11.96193996    -13.31936903
  H     16.17104832      9.58060984     -8.83931583
  O     11.10131228     10.63707037    -12.93003204
  H     17.21735009      6.51312812    -18.18257217
  H     17.45673627      9.94737814     -8.05975674
  O     17.08227742      6.92495080     -9.88549051
  H     16.19707315      6.72179080    -17.03817359
  H     14.61374392      9.31746649    -17.43975563
  O     11.71802390      8.01925897    -13.95866971
  H     14.37420245      5.69368526     -8.72964428
  H     15.99378977      8.76358638    -17.83566562
  O     19.62965316     11.37848591    -13.11649215
  H     15.40992355      6.53510094     -9.51366328
  H     12.46317233     10.32267812    -11.71046128
  O     17.14261041      9.62837155     -8.90122355
  H     17.84641946      7.88962153    -16.06946880
  H     13.99605224     10.54273224    -11.72536474
  O     15.46222367      9.56836426    -17.82443561
  H     18.58841731      9.14892083    -15.51583629
  H     15.49357786     12.56456416    -15.43757914
  O     13.28213660     10.08901080    -11.25552351
  H     14.96383021      6.15001961    -15.19713340
  H     14.89695987     13.93300638    -15.02856511
  O     14.86298427     13.00072138    -14.83426013
  H     14.12829724      6.94652654    -16.21790757
  H     14.15087149      8.97418376    -15.50278628
  O     13.34926886      8.81034407    -16.02648277
  H     17.73309522      8.48533861    -12.21133414
  H     12.68586476      8.47916864    -15.40066003
          69
 Energy    -248.25751684951967     
  O     15.14146865     11.93680036    -12.08120464
  H     15.60049033     11.70296530    -12.89599767
  H     14.66640398      7.69646524    -16.39707379
  O     14.52781176      6.97372239    -14.77989809
  H     15.71254722     11.64077623    -11.36254060
  H     17.67079053      4.68912305    -13.07384858
  O     15.68953181      5.75044220    -10.49540575
  H     14.52045015      6.12981977    -14.31359447
  H     17.65340960      5.19274527    -14.52362972
  O     18.81530981      7.62505483    -12.78941664
  H     15.12695037      7.53287879    -14.25953063
  H     18.82680210      9.49374927    -12.44386612
  O     14.39558650     10.78589742    -15.94816778
  H     15.56722625      6.70785079    -10.42386976
  H     18.08774661     10.70029306    -13.06858054
  O     11.96071732      6.32355073    -10.06601693
  H     15.12240781      5.34454469     -9.82378029
  H     17.04766116      8.05001270    -12.99645900
  O     12.11859843      7.70612396    -13.59060171
  H     18.73342751      6.86322442    -12.20082574
  H     15.77064244      8.41228934    -12.19159454
  O     15.27408487      8.47161796    -10.46639424
  H     18.93182100      7.27426646    -13.68330245
  H     12.06996652     12.42434183    -11.54353815
  O     17.45628614      8.79437862    -16.29652180
  H     13.55739666     10.72448335    -15.46619053
  H     13.42372404     11.77538674    -11.92124120
  O     11.93591735      5.03929742    -12.64121684
  H     14.44323151     10.00188641    -16.50553508
  H     11.92229167      9.51578870    -14.21314577
  O     18.71867143      6.58388731    -15.38144226
  H     12.10169906      7.25420051    -10.27843574
  H     12.13938841     10.90039595    -13.58048467
  O     14.83740697      8.21779158    -17.20013636
  H     11.85518522      5.86731018    -10.90997529
  H     17.34962462      5.42704919    -10.96562409
  O     17.23417128      4.56286469    -13.92572907
  H     12.93908541      7.55872219    -14.08210119
  H     18.71578469      4.75629111    -10.69129868
  O     18.58334387     10.41660885    -12.29020804
  H     11.82509527      6.82744343    -13.32285455
  H     14.93623053      5.16032399    -12.10216654
  O     16.13077967      8.34079656    -13.08443832
  H     15.76747771      9.26793529    -10.23465549
  H     15.50201341      4.57213993    -13.40514391
  O     12.47011348     11.60413602    -11.81886060
  H     14.34136799      8.69750049    -10.59697470
  H     13.11555516      5.38275275     -9.11418854
  O     12.09635084     10.44020707    -14.42713431
  H     17.30913983      9.56474107    -15.73786029
  H     13.52901408      4.60890247     -7.84921640
  O     18.24531493      5.29475276    -11.32228734
  H     16.61514279      8.62547408    -16.74096293
  H     12.48029429      9.85058737    -11.22546225
  O     14.67285349      4.81617011    -12.96719897
  H     11.47030840      4.23346726    -12.85095649
  H     12.46854070      8.50198696    -11.97851385
  O     13.83275280      4.85823862     -8.71722414
  H     12.88154385      4.85681328    -12.77194437
  H     17.56507244     10.63336704    -10.88020032
  O     12.62987814      8.90344959    -11.11229590
  H     19.40860875      6.35285098    -15.99823519
  H     17.34127427     11.18350032     -9.45138284
  O     16.90065596     10.75007351    -10.17739519
  H     18.26712765      7.36375811    -15.75033846
  H     15.81587470     10.91464391    -14.93588711
  O     16.55090207     10.76726101    -14.31734025
  H     14.38540055      7.77981685    -17.91634339
  H     16.35280625      9.93354370    -13.86101677
          69
 Energy    -248.25749959163164     
  O     -5.68803673      0.64096562      0.50458338
  H     -5.41901504      1.44698117      0.04215047
  H     -1.58400083      0.79521552      3.27221733
  O     -5.66117206     -0.21019037     -3.86744026
  H     -5.53767607      0.79826872      1.44895433
  H      0.27237762      3.59151446      2.10477840
  O     -4.82111695      0.97483883      3.07739177
  H     -5.08195086     -0.97448657     -3.97614642
  H      0.34415283      4.64315425      3.23808683
  O      0.57283942     -0.34396187      1.39234987
  H     -6.19201189     -0.39247261     -3.08201620
  H     -0.96793247      5.02032842      1.04310408
  O     -1.51771389     -0.79609925     -0.41135856
  H     -4.48071577      0.12695862      3.38521939
  H     -0.68988396      4.70512828     -0.43582497
  O     -3.64356860     -2.26543710     -3.84430642
  H     -4.06012546      1.57094267      3.05653991
  H     -4.47264131      3.78008812     -0.81688420
  O     -3.92225360     -1.55551320      0.70587107
  H      1.31741949     -0.88112122      1.65013878
  H     -3.71934616      2.48521536     -0.44859627
  O     -1.88403449     -0.27044755     -3.07229522
  H     -0.01716615     -0.28305152      2.16672898
  H     -0.82963172      3.52976573     -2.15640252
  O     -3.82271701      1.72677757     -3.22131120
  H     -2.28084049     -1.16054085      0.05917765
  H      0.23214975      2.41465655     -2.06495280
  O      1.04058353      2.47714695      0.98427184
  H     -0.75795493     -0.76454558      0.18398621
  H     -4.51500694     -2.79606734     -2.23167243
  O      0.61537156      0.99254390     -3.08384973
  H     -3.30463984     -2.79942699     -4.55844961
  H     -5.76322108     -2.33034652     -1.45477796
  O     -1.20297046     -0.08638539      3.38582235
  H     -2.95486351     -1.61482992     -3.63092118
  H     -1.75289046      3.08989328      2.88419332
  O     -0.25415371      4.22648544      2.62380717
  H     -4.46688672     -0.75924843      0.63808290
  H     -2.32467668      2.20380264      1.76773508
  O     -1.23457087      5.24884090      0.14456068
  H     -4.24272321     -2.16644594      0.02532005
  H     -3.70264510     -1.71038946      2.46437091
  O     -4.57699281      2.82344835     -0.75594192
  H     -1.74331324     -0.51019484     -2.14276890
  H     -3.92752176     -2.41932918      3.81979165
  O     -0.16448229      3.14190874     -1.56353213
  H     -2.51431023      0.46529665     -3.10261312
  H     -1.96990834      0.92911324     -0.13694771
  O     -4.98892697     -2.90591776     -1.39805363
  H     -4.51425200      1.14239028     -3.56418096
  H     -1.47627050      2.35221403     -0.49667749
  O     -2.37864818      2.37523539      2.72004416
  H     -4.16507274      2.09969893     -2.39785042
  H     -2.83980681      5.45624227     -0.55619361
  O     -3.58136584     -1.62306984      3.42538800
  H      0.81105466      2.69470216      0.07336183
  H     -3.98716051      6.37440242     -1.03691058
  O     -2.14781150      1.86785985     -0.00094081
  H      0.91800036      1.52448162      1.07708942
  H     -7.93016306     -0.88163925     -1.24447050
  O     -3.67801634      5.47266653     -1.05149694
  H     -0.21556105      0.50554434     -3.19491227
  H     -6.60238387     -0.31484548     -0.69818806
  O     -6.98971919     -0.85931746     -1.40373220
  H      1.10615761      0.86630128     -3.89250036
  H     -2.75705715      3.27994367     -3.33609381
  O     -2.21644902      4.04633683     -3.10085784
  H     -1.95024817     -0.68441325      3.50610729
  H     -2.77988203      4.61810951     -2.56608463
          69
 Energy    -248.25744560457207     
  O     17.20710611      9.44599764    -16.17024142
  H     18.05043601      9.82390081    -16.46822342
  H     18.61082746     11.23664072     -9.60081554
  O     21.44398879      9.67188308    -14.97705993
  H     16.87406916      8.91922962    -16.89337358
  H     20.57568383     16.78848226    -12.31550301
  O     19.09735148     13.08205278     -9.78860636
  H     21.59887681     10.50594724    -14.50755797
  H     19.09704685     16.38905084    -12.50360677
  O     14.89119270     11.77790506    -12.40678740
  H     21.25854892      9.01788893    -14.29567782
  H     20.63974258     12.42295165    -10.47018111
  O     21.08443833      9.30014431    -10.48927146
  H     18.39995548     13.15731652    -10.45771095
  H     21.46876094     11.12813915    -10.65452371
  O     16.48231022      9.52502578    -11.59109470
  H     19.35152362     13.98161144     -9.54985621
  H     17.69974148      8.89588424    -14.45268019
  O     19.73530546     10.35745618    -16.95688770
  H     13.95387478     11.90381196    -12.28676206
  H     17.45440719      8.97885526    -12.89357584
  O     20.77791766     14.51448555    -14.54531441
  H     15.03781289     11.65998500    -13.36232113
  H     19.89131275     12.35062633    -16.90463720
  O     20.01918528     15.72209954     -9.44370331
  H     20.93678679      8.81467151    -11.31545590
  H     20.29262697     13.70553230    -16.26056798
  O     21.44845435     12.03065084    -13.57642123
  H     21.53508827      8.70216165     -9.89672271
  H     22.43926075     15.66878234    -12.14846969
  O     15.45853572     11.49071288    -15.05868603
  H     15.88157155     10.25851134    -11.76104290
  H     23.10319094     16.74527291    -13.04124015
  O     18.43917324     10.30202542     -9.77003646
  H     17.08776293      9.80636252    -10.88819906
  H     17.84485774     14.57659802    -12.83178675
  O     19.70614102     16.83519915    -11.89993837
  H     20.35464323     10.07905781    -16.25881397
  H     17.81003619     14.75357380    -14.34840467
  O     21.47696186     12.07879506    -10.81669507
  H     20.16338421     10.16790727    -17.78908636
  H     21.70434414     15.08833361    -10.12536260
  O     18.11586344      8.81446497    -13.58729819
  H     19.90056877     14.71786450    -14.19355397
  H     22.28224118     13.78117205    -10.69439176
  O     19.80538206     13.30680263    -16.99368598
  H     21.38687297     15.13748523    -14.12798040
  H     19.64666752      8.20286009    -13.11030717
  O     22.31790629     16.21327716    -12.94724051
  H     19.83872221     16.16169296    -10.29416391
  H     20.58634695      6.97992185    -12.98858375
  O     18.18001431     15.14002960    -13.54367225
  H     19.88762537     16.37628963     -8.76278794
  H     19.65415615     11.70634752    -13.61602123
  O     22.42085305     14.73652634    -10.66879128
  H     21.53803140     12.09338900    -12.61582926
  H     18.51110228     10.65200971    -13.58215603
  O     20.54521688      7.92369974    -12.85497265
  H     21.31974030     12.92381749    -13.92449965
  H     18.14460557     13.41598373    -16.21652190
  O     18.69513139     11.59667575    -13.62855908
  H     15.98340674     12.25975630    -15.32493296
  H     17.86221768     12.69911249    -14.88562723
  O     17.47669072     13.31909918    -15.52448645
  H     15.93220680     10.73641293    -15.42501235
  H     16.38149478     12.79905453    -11.90653798
  O     17.28547197     13.12788801    -11.84139132
  H     19.29955869      9.90974719     -9.95394003
  H     17.81731745     12.54104394    -12.40318180
          69
 Ord_Energy   -248.257294    
 O   -8.15487289     -0.254713625      -1.59404504    
 H   -8.44010925      0.257216811      -2.34608459    
 H   -8.93052769     -0.354634911      -1.01243830    
 O   -10.2700386     -0.750419497       4.50272709E-02
 H   -10.3612642      -1.71125567       3.50743718E-02
 H   -10.3651667     -0.473900884      0.965124309    
 O   -4.28986883      -2.82242990       3.26180172    
 H   -4.15709400      -3.22939014       4.12675714    
 H   -4.87913036      -3.42607498       2.78495431    
 O   -7.70163012      -1.08755970       2.39866090    
 H   -7.09220791     -0.883111238       3.12161875    
 H   -8.54522610     -0.646822691       2.56323314    
 O   -6.75068903       2.36296153       2.04883504    
 H   -6.10926819       2.31252813       2.76823068    
 H   -6.50190830       1.68068302       1.41272080    
 O   -9.20140362       2.54114437       3.20323920    
 H   -8.35094738       2.49890089       2.72867727    
 H   -9.58166409       3.39373422       3.00796199    
 O   -8.52316093      -3.64005804       2.16014194    
 H   -8.21382332      -2.71923995       2.17653418    
 H   -9.14398479      -3.72095966       1.42728555    
 O   -7.81833220      -3.09392405      -1.50561607    
 H   -6.92715263      -3.36770391      -1.25820267    
 H   -7.79957342      -2.13644123      -1.62689602    
 O   -7.64051533       2.07909656       5.57538843    
 H   -8.27327633       2.28578162       4.87855816    
 H   -7.97006989       1.28235877       6.01658297    
 O   -8.83239746      -3.75402522       4.90259647    
 H   -8.08397484      -3.28058934       5.29637766    
 H   -8.73376369      -3.74018240       3.93803287    
 O   -6.49346828      -5.60377121       4.55895662    
 H   -7.37088299      -5.24359465       4.72422218    
 H   -6.30851650      -5.45431709       3.62111473    
 O   -4.14003134      -1.77234447      0.568388402    
 H   -4.76677227      -1.03649449      0.523235500    
 H   -4.01237869      -1.98493791       1.49987757    
 O   -10.2160301      -2.03536004E-02   2.78965521    
 H   -10.4450140     -0.497411728       3.59723878    
 H   -9.98283768      0.890739679       3.01676202    
 O   -10.6353607      -1.64681923       5.07976532    
 H   -10.0757809      -2.43946052       5.03177023    
 H   -11.4542589      -1.91853821       5.48814678    
 O   -10.0858784      -3.60911417     -0.143687367    
 H   -9.28032684      -3.49495864     -0.682507336    
 H   -10.6462164      -4.22397757     -0.608646214    
 O   -4.53411818      -4.17102003       5.78437853    
 H   -3.98364830      -4.69930744       6.35601473    
 H   -5.19457531      -4.77320337       5.39602661    
 O   -6.23574352      0.101212963      0.417891800    
 H   -6.75428772     -0.359726280       1.09669042    
 H   -6.77973652       7.68057108E-02 -0.378978848    
 O   -6.72421455      -2.36402035       6.14326096    
 H   -5.98465395      -2.97196007       6.24882603    
 H   -6.41115952      -1.69121468       5.51794004    
 O   -5.21317720      -3.91511488     -0.686109781    
 H   -4.78537369      -3.12916136     -0.300538242    
 H   -4.57776117      -4.31242847      -1.27589250    
 O   -5.20544624       2.02564406       4.43632221    
 H   -6.04947042       2.08641458       4.92446327    
 H   -4.58986521       2.60908461       4.87017870    
 O   -8.60638905     -0.295056671       6.63724804    
 H   -9.36798382     -0.669413149       6.18073368    
 H   -7.96362019      -1.01331186       6.69318676    
 O   -5.73720884     -0.687141538       4.23151445    
 H   -5.37402773      0.204819679       4.27612209    
 H   -5.09246397      -1.29955792       3.84994388    
 O   -5.98544407      -4.64676142       1.93989122    
 H   -5.69912767      -4.56897449       1.02256334    
 H   -6.90329075      -4.33531332       1.96245682    
          69
 Energy    -248.25720251910349     
  O     11.09111109     10.55811980    -11.80905857
  H     10.59980497     10.08402961    -12.49207893
  H     14.86578117     11.93083843    -15.89554430
  O     13.76321076      7.60115905    -15.26612108
  H     11.77016443     11.06120892    -12.27566202
  H     16.40716344      9.53247528    -14.46614976
  O     17.36390981     10.91170611    -10.56694401
  H     14.08326793      7.13910827    -16.05032048
  H     15.49944589      9.43077844    -13.22588611
  O     18.20216048      8.95611967    -17.13366891
  H     14.50232688      8.12072905    -14.90756403
  H     11.43393857      9.35749776    -10.58403953
  O     12.09979662      9.73950421    -15.42634643
  H     16.49835820     10.83679358    -11.00670792
  H     11.10539312      8.72247031     -9.21027626
  O     13.96787996      6.24972102    -12.85037719
  H     17.38192971     11.76317915    -10.13830851
  H     18.14914251      7.44685524    -10.93775793
  O     14.97978665     10.38064253    -11.73901905
  H     18.99372575      8.84655093    -17.65415899
  H     19.47942411      6.69750159    -11.18648167
  O     15.55218739      9.03032281    -18.21898735
  H     17.98954696      8.08151705    -16.76071746
  H     11.28955472      7.35818374    -11.44904505
  O     17.65183376     10.71110799    -15.02111120
  H     12.64899812      8.93954480    -15.39895035
  H     12.08171665      6.51409543    -12.46561824
  O     14.89679547      6.50074969    -17.56259200
  H     11.26889132      9.50160130    -14.99853271
  H     18.47768342     10.28381919    -11.97616328
  O     17.39972034      6.54324357    -16.17207737
  H     14.90687946      6.03382970    -12.92347399
  H     18.95368534      8.91206073    -12.47065358
  O     15.27293252     12.27768572    -15.09239429
  H     13.75299641      6.66513748    -13.69903176
  H     17.47945668      6.52539726    -12.81565672
  O     15.76209689      8.96384981    -14.02793916
  H     14.28321601     10.80007405    -12.26149419
  H     16.43165643      7.33535480    -13.60517551
  O     11.60563834      8.58886276    -10.01057388
  H     14.62840594      9.58090871    -11.32251975
  H     16.05215792      8.02377795    -10.00180088
  O     18.76132623      7.13996692    -11.63089096
  H     15.00875912      9.75534670    -17.88762276
  H     17.14555240      9.11511998     -9.92370228
  O     11.22216403      6.92181435    -12.30802270
  H     16.45297020      9.17210920    -17.90268597
  H     13.28854157     11.60137467    -17.82134431
  O     18.89613242      9.83980960    -12.72494275
  H     18.19280284     10.46315267    -14.25438206
  H     13.11459555     10.60842985    -16.65365222
  O     16.73363135      6.43184536    -13.42116954
  H     17.96104109     10.19783597    -15.77834491
  H     14.15496219      7.34722251    -11.37286065
  O     16.99469115      8.16437659     -9.84546351
  H     15.10007471      7.39676735    -17.89074336
  H     13.36962054      8.12897832    -10.28088321
  O     13.77345356     11.03226291    -17.22712640
  H     14.61085006      5.98635400    -18.31200199
  H     13.91530476     11.92208579    -13.95142300
  O     14.25332339      7.96285382    -10.63345351
  H     17.23947885      6.36492684    -15.23672517
  H     12.79100586     10.88242857    -14.11722581
  O     13.18006018     11.49815420    -13.48210895
  H     16.57087122      6.35808951    -16.63030298
  H      9.08458009      8.57553731    -13.96868695
  O      9.99072216      8.83076070    -13.81725936
  H     16.14934275     11.87354747    -15.04779313
  H     10.41545042      8.09003166    -13.34831338
          69
 Energy    -248.25691327118489     
  O      1.61342325      2.04215242      3.08297774
  H      2.10738100      1.22989605      3.23974417
  H     -1.30496639     -3.20160407      3.99087032
  O      1.13084945      3.06924303      0.60496082
  H      0.81888854      2.00379719      3.63247872
  H     -2.78452601     -0.28571498      0.38757288
  O     -0.48155856     -1.77914029      4.82189319
  H      1.32086878      2.71052418      1.48975576
  H     -2.69526562     -1.77449109      0.82893693
  O      0.74203185     -3.49629273     -2.55157108
  H      1.64664101      3.86674641      0.51818345
  H     -2.21791725     -3.44889106     -1.20403981
  O     -2.45559324     -0.84095721     -3.22246827
  H     -1.10048740     -1.28234532      5.36758754
  H     -1.18724175     -3.52973704     -2.34543719
  O      0.41695703     -0.88778307     -3.18363425
  H     -0.48157773     -1.32819796      3.96206862
  H     -0.74038995      0.47605400      2.94521656
  O     -2.60803437      3.55893489      3.01704595
  H      1.20939563     -3.94643851     -3.24995691
  H     -1.49986614     -0.51899243      2.01296346
  O     -2.00027821      0.70714221     -0.92792540
  H      0.70010455     -2.55541601     -2.80248228
  H      0.93288012     -3.56818343     -0.72616361
  O      0.81686317      0.75476609     -0.94772248
  H     -3.10851076     -0.85263144     -3.91688242
  H      1.20220632     -2.62275005      0.48814072
  O     -3.69068797     -1.70082174      3.70471905
  H     -2.42356998     -1.74029108     -2.84992494
  H      1.22140709     -2.40707308      4.62401277
  O      0.95418840     -4.87999071      2.61867081
  H     -0.52819127     -0.77185254     -3.34074757
  H      1.80838929     -3.49120305      3.71149189
  O     -1.64002497     -3.89987049      3.41009709
  H      0.65707042     -0.24261192     -2.50464800
  H      0.75571330     -0.75137036      1.52594821
  O     -3.01403181     -0.90004282      1.09788313
  H     -2.36482506      3.45123947      2.08121753
  H      2.29015157     -0.80575962      1.66334081
  O     -2.11020432     -3.32092906     -2.15514229
  H     -3.25129954      4.26116525      3.04390330
  H     -1.54539134      2.43689959      3.85035594
  O     -0.65651656     -0.35093494      2.45118830
  H     -1.03275534      0.69017425     -0.90948740
  H     -1.49406636      1.21349785      4.80832725
  O      0.88877291     -3.50469569      0.23588739
  H     -2.26317703      0.27643432     -1.75069371
  H     -3.05587513     -0.62743130      4.97343667
  O      2.04975895     -2.71447600      4.22756244
  H      0.98410876      1.61802723     -0.54955043
  H     -3.20306659      0.00216992      6.37722484
  O      1.56980785     -0.98447159      1.04828590
  H      1.15904891      0.10599033     -0.31594312
  H      4.08851674     -0.37879223      3.52113972
  O     -0.95926415      1.75610293      4.21736423
  H     -3.64496364     -1.33943759      2.80817571
  H      2.82004726     -1.25026295      3.65603105
  O     -2.58959213     -0.11335843      5.65673808
  H     -3.27852700     -2.56885701      3.65442770
  H     -0.94126901     -3.39093852      0.47255453
  O      3.17154525     -0.43060004      3.26466915
  H      1.30352194     -5.76236067      2.51871993
  H     -1.96119690     -3.63405460      1.59672631
  O     -1.88963712     -3.39722333      0.66262407
  H      0.98212053     -4.46874309      1.73855021
  H     -0.77007481      3.19207715      0.49493900
  O     -1.73442386      3.15807191      0.47348192
  H     -0.85606338     -4.42457000      3.20370012
  H     -1.96601231      2.38340018     -0.05329022
          69
 Ord_Energy   -248.256836    
 O    7.42328835       4.11459827      -4.45170784    
 H    6.60565376       4.48927832      -4.80050993    
 H    7.73987246       4.73916721      -3.78651214    
 O    5.37751770     -0.692426741      -2.78433657    
 H    5.37108660     -0.797061324      -1.82465219    
 H    5.94730425       6.38144836E-02  -2.98026204    
 O    7.01138639       2.63080597     -0.576275766    
 H    6.51430416       2.13569713       8.48662704E-02
 H    6.52332497       3.45957732     -0.709232330    
 O    9.34219933       4.02696848     -0.310450375    
 H    10.1402607       3.51298118     -0.404540390    
 H    8.59622097       3.40980101     -0.410873979    
 O    3.17344809       4.13616991      -1.99210918    
 H    3.39227748       3.49709725      -2.68337631    
 H    3.03181314       4.98936129      -2.42878699    
 O    2.44508862      0.207640097     -0.731203794    
 H    2.44053173      0.169526488      -1.69490218    
 H    3.21985412     -0.298566937     -0.458972454    
 O    4.07288218       2.46571136      -4.02427053    
 H    4.96335745       2.22018409      -3.73104644    
 H    3.54158425       1.66084647      -3.99249482    
 O    4.73917007       6.89609623      0.763789773    
 H    4.32741117       6.21328831       1.31570160    
 H    5.54613304       7.19902849       1.19802618    
 O    2.87852359      -2.69737504E-02  -3.58730125    
 H    2.47366142     -0.695022106      -4.13387632    
 H    3.76746774     -0.353225470      -3.35314012    
 O    6.14236498       3.42024636       3.17764711    
 H    6.80873919       3.99134064       2.75536418    
 H    6.35541630       3.39119720       4.10667896    
 O    5.30029345       1.52862477       1.30647838    
 H    5.61766958       2.06929660       2.04066992    
 H    4.49164915       1.95078838      0.975266457    
 O    6.64733315       1.79257786      -3.20304275    
 H    6.81178808       2.00888777      -2.27547026    
 H    7.03274965       2.51448011      -3.72213912    
 O    3.31376147       6.48012209      -3.37114429    
 H    3.82204056       7.13022232      -2.87146664    
 H    3.89694643       6.11485624      -4.04802418    
 O    7.39542150       8.25753117      -1.14879894    
 H    6.48455572       8.38032722      -1.44356143    
 H    7.73296738       7.48624372      -1.62404144    
 O    3.80038524       4.74778318       2.14279366    
 H    3.36804700       4.06638098       1.61149311    
 H    4.54015684       4.31317663       2.58320093    
 O    5.01339149     -0.895028234       4.91996817E-02
 H    5.16337585      -1.63258016      0.635789752    
 H    5.17237186      -8.99548009E-02  0.569126070    
 O    7.95445538       5.04064131       1.98256373    
 H    7.79617977       5.98374605       1.85192108    
 H    8.51889420       4.75429296       1.25542855    
 O    2.97467542       2.69202995      0.354645342    
 H    2.62979817       1.83838463       5.46189584E-02
 H    2.98123384       3.26127052     -0.428090811    
 O    5.64253378       4.94838858      -1.04618716    
 H    5.41048574       5.58216190     -0.357117862    
 H    4.81148434       4.66528511      -1.44904864    
 O    8.02921772       5.73179150      -2.19635749    
 H    8.64090919       5.25519466      -1.62221825    
 H    7.14037085       5.50865650      -1.87559700    
 O    4.55661488       8.34660053      -1.57062626    
 H    4.50099230       7.85492945     -0.733312190    
 H    4.01737261       9.12726974      -1.46226621    
 O    4.76224566       4.85500526      -5.27423429    
 H    4.44620275       4.00515795      -4.92504406    
 H    4.52026510       4.87320709      -6.19792318    
 O    7.32341194       7.75748587       1.51387393    
 H    7.42762375       7.97886419      0.570726097    
 H    7.63604021       8.50948715       2.00959682    
          69
 Energy    -248.25670669515529     
  O     13.08172373      6.76860536    -11.60156337
  H     13.45352477      5.93010520    -11.90423625
  H     18.35062007      6.33127684    -14.42800941
  O     17.01937769     10.44884997    -15.04876064
  H     12.35064924      6.99224081    -12.19164648
  H     14.25554620      7.99123674    -12.39852561
  O     17.35077252      8.89846261    -12.77315658
  H     16.72883695     11.26546232    -14.62182421
  H     15.54750199      8.73122667    -12.88683710
  O     15.89451135     12.62952774    -13.69723436
  H     16.25575672     10.10555279    -15.53175927
  H     13.42024055      8.03014912    -10.21291531
  O     14.75905108      9.58446268    -16.58367646
  H     17.36437988      9.46810085    -13.55411874
  H     14.61528944      8.95881296     -9.87396335
  O     13.65168636     11.67768778    -15.20966853
  H     17.55408623      8.00064929    -13.07015094
  H     14.15326132      3.56305043    -12.70121787
  O     16.90717775      5.80955387    -17.22876956
  H     16.21146160     13.52501299    -13.61390248
  H     14.70470326      4.74482849    -13.52815953
  O     11.19087517      7.85582449    -13.50031244
  H     15.69993881     12.31847479    -12.79494836
  H     12.32884192     10.71572489    -12.18568319
  O     16.76641411      5.36428512    -11.25273250
  H     14.25109725      8.83329916    -16.24959947
  H     13.26977067      9.83691769    -13.03978605
  O     13.45056360      7.53127333    -15.23512715
  H     14.32493291     10.38070583    -16.24144651
  H     17.46574560      6.45099838     -8.33457324
  O     15.28797479      5.46963755    -15.05317683
  H     14.36192498     12.11903137    -14.72694536
  H     16.98275889      6.36234543     -9.79214607
  O     17.66728160      6.32461913    -13.74602142
  H     13.07145596     11.30783791    -14.53222772
  H     20.30094264      6.33366439    -16.12974832
  O     14.60592141      8.61309412    -13.05030742
  H     16.70425050      6.62706281    -17.69994559
  H     19.22485275      7.44320431    -16.22090635
  O     13.66052396      8.84913095     -9.76402149
  H     17.80340118      5.92099117    -16.88815413
  H     16.70463858      8.60005268     -9.66221172
  O     14.37683985      4.48929773    -12.64950718
  H     10.23899778      7.89215470    -13.54678869
  H     16.85951971      9.23780891    -11.05476834
  O     12.41366650     10.29464034    -13.05056654
  H     11.49794334      8.76740791    -13.35493560
  H     15.80791013      8.86976187    -17.82467748
  O     17.09375835      6.97018417     -9.04189562
  H     15.94128333      4.99037229    -11.57838048
  H     16.20778681      8.63618177    -19.29800560
  O     19.38442956      6.52146381    -15.94802028
  H     17.24511329      5.64435632    -12.04390130
  H     14.38270733     11.70621551    -10.92426008
  O     16.42456063      9.35672016    -10.19838775
  H     12.54644928      7.50009833    -14.90697040
  H     15.75080276     11.01336214    -10.77355651
  O     16.43804218      8.40563400    -18.40141430
  H     13.96231166      7.92795558    -14.50756411
  H     18.29173217      9.60992780    -16.14724050
  O     15.30254318     11.75096586    -11.20824474
  H     14.59414118      6.12812460    -15.19560249
  H     18.03679451      8.84846603    -17.45615265
  O     18.70606007      9.00674964    -16.77806857
  H     15.81412530      5.44662381    -15.86646333
  H     12.12007385     11.61529906     -9.69532253
  O     12.58218193     11.21972110    -10.42857181
  H     16.84229181      6.07626276    -14.18413320
  H     12.91087555     10.35311762    -10.12217949
          69
 Energy    -248.25668225491705     
  O     13.19306666      5.12228069    -16.32800582
  H     13.72856468      4.56347834    -16.90250613
  H     19.40050024      6.26721704    -16.41261331
  O     17.64212740      6.67537453    -12.05978661
  H     12.98915759      5.92158050    -16.82870376
  H     16.07652949      7.10018580    -16.53541716
  O     19.01700881      4.58407676    -17.23938666
  H     17.10500065      7.34547529    -12.50476643
  H     16.40167903      5.87632525    -15.64238973
  O     16.94171105      5.31572479    -18.84923435
  H     18.55093172      6.86087691    -12.33242814
  H     13.50563488      9.05121397    -14.79754721
  O     13.50018664      7.71936501    -10.31597506
  H     18.33804320      4.87140521    -17.87739753
  H     14.37704329      9.65067636    -15.94399037
  O     13.81384491      5.55492822    -13.71273639
  H     19.63635311      4.04343068    -17.72202148
  H     14.87664675      2.92863641    -10.01460465
  O     16.30533284      8.59532599    -13.56880443
  H     16.24474892      4.67818538    -18.64850320
  H     14.15915315      4.09776959    -10.73199304
  O     16.73721377      3.99057385    -15.62911698
  H     16.53012031      6.18595008    -18.76769488
  H     12.95500219      8.21491285    -16.95356939
  O     12.76134454      5.05598936    -11.18381434
  H     14.36498599      7.30625626    -10.14122213
  H     11.98038306      7.86906431    -18.10717934
  O     18.54810132      9.81750082    -16.18435385
  H     13.25074484      8.17862828     -9.51857436
  H     19.83407275      7.37116189    -14.16858124
  O     15.06170024      3.48618853    -17.71733753
  H     14.68293533      5.17554724    -13.54051666
  H     19.66284058      8.55306725    -13.20681533
  O     19.21407630      7.08060018    -15.93150139
  H     13.56871595      5.35402418    -14.62816711
  H     16.86991810      5.16088063    -12.65618927
  O     16.44660770      6.83822372    -15.68273649
  H     16.35774541      8.02429321    -14.35027692
  H     15.95489980      4.01156622    -12.16118393
  O     13.50257334      9.30637154    -15.72859762
  H     15.37785366      8.59735514    -13.30031840
  H     15.64989181      5.45049259     -9.98408647
  O     15.03030976      3.69984998    -10.55310756
  H     16.72610450      3.99385882    -14.66144229
  H     16.57967185      6.54310557    -10.53512699
  O     12.77941142      7.58179975    -17.67419622
  H     17.64057004      4.09639316    -15.95274038
  H     15.73101877      8.59228090    -17.94260408
  O     19.93443189      7.62788924    -13.24177262
  H     12.82004309      5.94357889    -10.81130997
  H     14.57190885      7.59019397    -18.16393304
  O     16.34140731      4.40528070    -12.95296521
  H     12.95178004      5.16380315    -12.12762075
  H     13.48759776      8.21451919    -12.13324207
  O     15.84855390      6.39249226     -9.92111649
  H     18.65941535     10.07870915    -15.26099903
  H     13.66756830      7.31196988    -13.37295660
  O     15.53379288      7.68031417    -18.19599329
  H     18.94014038      8.93784822    -16.25386242
  H     17.70244149      9.68491530    -13.40458923
  O     13.63529055      8.23886480    -13.08632374
  H     14.91961627      2.55313845    -17.85671547
  H     18.44705749     10.86334464    -12.73442544
  O     18.54380703     10.17380654    -13.38584565
  H     15.63088591      3.56958357    -16.93116820
  H     15.94329571     11.04503355    -17.41953323
  O     15.98901849     10.18294784    -17.01306991
  H     18.25524259      7.06425511    -15.79365807
  H     16.90826654     10.07032647    -16.71441430
          69
 Energy    -248.25662361134295     
  O     -7.47485269      2.86396235     -0.19406495
  H     -6.67436037      3.36266587     -0.41185791
  H     -4.80336223     -1.63001798      4.74418298
  O     -7.38258431      2.67431857      2.63324829
  H     -7.54226090      2.87459612      0.76706662
  H     -0.13099474      1.93973063      2.14800285
  O     -3.46838056     -1.94846931      1.51497255
  H     -8.09028498      2.79118465      3.26216323
  H     -1.00908574      0.69138264      1.90615085
  O     -1.06447827     -0.55619388     -1.70733027
  H     -7.20507992      1.71819873      2.58077390
  H     -2.23339415      2.57177955      1.43848976
  O     -4.73148985      1.14317622     -2.05475691
  H     -4.03169399     -2.44179713      0.90497426
  H     -3.56280329      2.06282766      0.85541798
  O     -5.04003997     -3.02183384     -0.54928411
  H     -3.93258981     -1.85101246      2.35691976
  H      1.83115452      0.53238172      1.10873892
  O     -3.63576772     -1.50459282     -2.28899005
  H     -1.35792344      0.36664850     -1.69537351
  H      0.92947863     -0.71406114      1.03449278
  O     -2.03074534      2.06066033     -1.65802701
  H     -0.12542684     -0.54485394     -1.93016738
  H      2.09952051      3.12508504      1.54741809
  O     -0.96249192     -0.91371836      1.05888734
  H     -4.61125566      0.91110196     -1.11817916
  H      1.24437639      2.52730124      0.40458653
  O      1.70762619     -0.18635491     -1.91884438
  H     -5.67638715      1.02903559     -2.22139623
  H     -8.23686008      0.86088577     -2.50175145
  O     -6.69299590      0.07548652      2.30589522
  H     -4.53459143     -2.52646766     -1.21925516
  H     -7.57128617      1.52563405     -1.27238989
  O     -4.74598352     -1.21301830      3.88921009
  H     -5.13786047     -3.91123120     -0.87927501
  H     -3.75698305      1.78444725      3.91781019
  O     -1.00086318      1.56357032      2.32827344
  H     -4.04617863     -0.64099262     -2.41143520
  H     -2.37867207      1.15969551      3.62790812
  O     -2.98649326      2.84423140      0.89544033
  H     -2.69458918     -1.33006824     -2.15371052
  H     -6.56557925     -1.92847023     -0.19977579
  O      1.80342609     -0.37909228      0.79169701
  H     -2.25735271      2.40782750     -0.78412904
  H     -7.37709250     -0.69242735     -0.66668256
  O      1.48477719      2.42567660      1.34274033
  H     -2.87280421      1.85149388     -2.07851961
  H     -3.98208652     -0.26121579      0.85359768
  O     -7.50253291      0.78056622     -1.89887944
  H     -1.00414213     -0.82831050      0.09609160
  H     -5.27403796      0.52899600      1.13825095
  O     -3.22437048      0.98708806      4.05616716
  H     -1.75411018     -1.40322145      1.31785107
  H     -4.88554060      3.08141342     -1.49915348
  O     -7.27526650     -1.32611793      0.05425746
  H      1.84057119     -0.32100591     -0.96287065
  H     -4.26707640      3.78380751     -0.28880164
  O     -4.45540539      0.54857920      0.62792082
  H      2.46621237     -0.55712011     -2.36065224
  H     -4.16394678      3.37569599      2.46423592
  O     -4.98208881      3.85517991     -0.93179500
  H     -7.00103750     -0.49752176      1.58577181
  H     -5.58128737      3.17019692      3.04665707
  O     -4.64868975      3.23884736      3.28484620
  H     -6.13308748     -0.43841623      2.90043842
  H     -0.13350398      2.47965364     -1.56004626
  O      0.79489801      2.46474761     -1.29988721
  H     -4.17540057     -0.42722741      3.99413161
  H      1.15924818      1.64340315     -1.65415467
          69
 Energy    -248.25640715463922     
  O     12.11494949     11.19850811    -14.29706922
  H     11.95812108     12.13986908    -14.30583714
  H     15.23933605      6.79115269    -11.24564628
  O     13.57361967      5.41394674    -17.27994731
  H     12.76541904     11.03135947    -13.59352788
  H     14.16948260      8.02111227    -14.36266122
  O     14.00372055      5.79059823    -12.03770455
  H     13.20634447      4.79319386    -16.63967677
  H     13.55180271      8.74689573    -13.15230942
  O     17.99983662      5.72985934    -10.57201747
  H     12.94134918      6.13752048    -17.36517810
  H     12.85932910     10.25258592    -15.80865346
  O     13.01049600      3.46198536    -15.19974265
  H     13.18536356      5.52986799    -11.59914571
  H     14.10863680      9.43943445    -16.24379150
  O     10.40184243      9.26726971    -12.96752733
  H     13.78400535      6.53107222    -12.62694615
  H     11.18923837      5.04600612    -11.98199996
  O     11.79618221      7.65463501    -17.46016522
  H     18.73247903      6.19334073    -10.17255866
  H     10.96206592      4.70396373    -10.48971499
  O     11.06484867      7.23020583    -14.78298458
  H     17.26317490      6.36091544    -10.58475766
  H     11.13447178      8.56672860    -11.45179619
  O     17.89780892      4.02651508    -12.71152200
  H     13.84035107      3.61608869    -14.71975056
  H     11.46671037      7.19468738    -10.80821898
  O     18.28165588      6.29842565    -14.45777954
  H     13.03491629      2.55513933    -15.49770482
  H     14.84220755      4.70349590    -13.14694893
  O     15.97632596      5.79057429    -16.03627501
  H     10.39925289      8.54625599    -13.61166251
  H     16.18056408      3.98342377    -13.45017666
  O     15.85833238      7.45066052    -10.89636975
  H     10.84737208      9.99501282    -13.41548821
  H     11.60037291      4.21528969    -14.16978355
  O     13.52134059      7.92280006    -13.65284865
  H     12.31550805      8.43491027    -17.19382825
  H     10.86586302      5.56797848    -14.08907778
  O     13.24175389      9.75033152    -16.53803764
  H     11.33799322      7.89038586    -18.26225395
  H     13.06074908      8.81925193    -10.13545927
  O     11.43704391      5.29079144    -11.07115077
  H     11.91510621      7.48202968    -14.39047566
  H     13.77357326      9.63701608     -9.02964569
  O     11.61315493      8.14294471    -10.72435467
  H     11.16390391      7.34701698    -15.73508426
  H     15.70254271      7.56560741    -15.79489613
  O     15.30333756      4.16415485    -13.80794696
  H     18.50292616      3.30229146    -12.57281581
  H     16.11909674      8.60941758    -14.73314001
  O     10.95370408      4.70827882    -13.65184512
  H     17.93872312      4.58244671    -11.91444549
  H     14.84423807     10.75288456    -12.61396606
  O     13.90524605      9.24214775     -9.88708274
  H     18.27743619      5.50199831    -13.91459505
  H     13.92693246     10.17552046    -11.49294843
  O     15.52114028      8.46211519    -15.47701875
  H     17.65207504      6.13042545    -15.17174142
  H     16.92179896     10.23889751    -13.04877947
  O     13.94380563     10.45549090    -12.41562993
  H     15.77502179      5.25316713    -15.25847931
  H     17.05586239     11.67976973    -13.57051194
  O     16.54333364     11.13124076    -12.98199685
  H     15.22339892      5.66799200    -16.63409898
  H     17.69017832      7.75662059    -13.59058910
  O     17.19543600      8.48443104    -13.18644622
  H     15.31231647      8.11247822    -10.45651499
  H     16.74070746      8.13091835    -12.41137242
          69
 Energy    -248.25637925632321     
  O     11.86606068     10.92423359    -13.58482886
  H     12.07758859     10.45002093    -14.40100216
  H     19.07475975      8.00959884    -13.28164306
  O     15.95131961      6.74190381    -13.54524383
  H     12.48032451     11.66591540    -13.53753406
  H     16.01258702     12.31688377    -15.64561154
  O     18.07711695     10.89195473    -12.38136071
  H     15.67456988      7.63164564    -13.81486074
  H     14.91043612     11.70865785    -16.54760408
  O     12.29094032      6.66542868    -15.65524690
  H     15.33211886      6.46691408    -12.85608127
  H     15.18283281      9.84330174    -13.58058436
  O     16.07634971      8.28177548     -8.84082711
  H     18.15861841     10.54758262    -11.48256675
  H     14.32116256      9.31215416    -14.76717055
  O     14.29480483      6.29063638    -11.35365688
  H     18.54593613     10.23970725    -12.92545109
  H     11.53731297      9.83313502    -12.30350862
  O     15.31712136     10.92429544    -12.14617040
  H     11.58488809      6.12709811    -16.00273399
  H     10.57927141      9.37762340    -11.17542615
  O     16.07098438      8.00088027    -18.02113744
  H     12.19454405      6.65988682    -14.68492119
  H     17.38215986      6.96079146    -12.42626983
  O     16.59741979      5.62423851     -9.84938976
  H     16.18086653      7.33762067     -9.00950018
  H     18.11140508      7.82484808    -11.32969332
  O     17.47029418      9.24627243    -15.87252841
  H     15.28782555      8.56020882     -9.32724446
  H     12.76375068      6.40639407    -12.41499090
  O     15.06023141      6.28952192    -16.19817135
  H     14.96204786      5.90036968    -10.77746259
  H     11.73532479      7.54432025    -12.53809548
  O     19.26857372      8.81752265    -13.76569689
  H     14.23055815      7.22631551    -11.10539575
  H     17.77102700     11.07258264    -15.45933603
  O     15.07957195     12.39833642    -15.90056201
  H     16.27668556     11.01865300    -12.23237195
  H     17.87181599     11.82297144    -14.12435073
  O     15.17461948      9.23122603    -14.32694905
  H     14.89062271     11.70238464    -12.52777588
  H     18.99264320      9.32387153     -9.46636824
  O     11.40382987      9.16672557    -11.60474998
  H     15.71171614      7.35406401    -17.38584217
  H     17.47719737      9.04021274     -9.56636902
  O     18.09134395      6.96212044    -11.76455541
  H     16.46381798      7.49941368    -18.73039286
  H     14.28743589     10.61000228    -18.72358968
  O     12.05381216      6.74534788    -12.97553656
  H     17.00894283      4.83672724     -9.50328309
  H     15.02707848      9.49634703    -17.95179477
  O     17.66270737     11.94537898    -15.05706701
  H     17.21160543      5.99673063    -10.50448920
  H     13.10127514      9.07538536    -10.84940925
  O     18.25667240      9.32368798    -10.07380237
  H     17.19936210      8.82197103    -16.69153510
  H     14.50190514      9.67944701    -11.12538019
  O     14.43075632     10.25439632    -17.84913993
  H     16.66908797      9.29575732    -15.32720584
  H     14.29179049     12.75545613    -14.41948397
  O     14.03954766      8.97736644    -10.64503230
  H     14.10794162      6.33497858    -16.04723739
  H     13.83416341     13.85170092    -13.42763690
  O     13.90728486     12.90758303    -13.53636360
  H     15.46658727      6.28032110    -15.32195640
  H     13.21035904      9.70517333    -16.56347771
  O     12.75891015      9.42727228    -15.75641438
  H     18.73317974      8.80024527    -14.57165769
  H     12.54212176      8.48892508    -15.83468466
          69
 Energy    -248.25637154804610     
  O     12.98976917     11.13320515    -16.01252320
  H     13.57157843     11.78091705    -15.59825365
  H     14.80128038      5.43592673    -15.13885981
  O     14.72643469      6.07978161    -13.44147446
  H     12.30100497     10.92552820    -15.36919997
  H     18.17413918      6.27684217    -15.14881569
  O     17.03448637      9.53185982    -11.56849273
  H     15.49686534      6.19280667    -12.86761354
  H     18.45917627      7.56224641    -14.36183457
  O     17.72218606      9.37952977    -14.32010119
  H     13.94113214      6.34013467    -12.94065597
  H     17.12541146     11.10956550    -16.77539546
  O     12.68663231      6.73161350    -16.96336319
  H     16.86847314      9.48076625    -10.61852163
  H     17.47194803     10.98873767    -15.28938747
  O     13.42114319      9.14677238     -9.24289550
  H     16.29321961     10.03841261    -11.93167761
  H     14.75841224      8.72105014    -15.35915504
  O     12.52043710      7.07247775    -12.11948559
  H     16.80974530      9.05143639    -14.40245186
  H     14.94879958      7.72295146    -14.16511189
  O     14.87218710     10.78349094    -12.81593053
  H     17.82821825      9.54909518    -13.37585936
  H     11.04267051      9.35283351    -14.37881321
  O     17.09784160      8.81923404    -17.22320403
  H     13.43004129      6.16368322    -16.68901503
  H     10.05681224     10.54060541    -14.26707383
  O     13.09912561      6.29971419     -9.49033808
  H     12.19641475      6.24623157    -17.62159690
  H     16.28124379      6.33538370    -10.30299835
  O     17.43356331      6.07848201    -16.93119122
  H     12.99733614      9.50311427    -10.03429901
  H     16.01731554      7.31735779     -9.15215547
  O     14.80274214      5.32442524    -16.10079586
  H     13.19058511      8.20977593     -9.21966507
  H     11.77399513      7.29502701    -15.38831700
  O     18.48936165      6.60008781    -14.29675961
  H     12.53503997      8.03441466    -12.01528747
  H     11.66439340      7.26283859    -13.83397444
  O     17.12498824     11.60258732    -15.95188071
  H     12.60403179      6.70470211    -11.23045007
  H     17.59743896      6.52123392    -12.71428534
  O     15.10597658      8.62657621    -14.46402468
  H     14.85582036     10.02477460    -13.42305549
  H     17.00332775      7.66669501    -11.84908086
  O     10.97335938     10.30037554    -14.15815469
  H     14.89504345     11.57466890    -13.36643100
  H     16.33504243      9.65728998     -8.09060393
  O     15.80768287      6.42893901     -9.46549390
  H     16.13194550      8.91692534    -17.24696537
  H     15.15441838      9.28458698     -9.01798225
  O     11.30612259      7.66930703    -14.63290758
  H     17.38397717      9.03506737    -16.32892778
  H     11.86251106     10.10790761    -12.50504543
  O     16.99175186      6.70919499    -11.98288520
  H     12.78713816      5.63582173     -8.88168003
  H     13.33097379     10.26629393    -12.06757919
  O     16.12228241      9.23425164     -8.91827023
  H     14.07256558      6.25701554     -9.47912947
  H     15.74664860     12.44506770    -15.24107634
  O     12.48390712      9.87752168    -11.80391224
  H     17.95050987      5.68359599    -17.62975635
  H     15.05362187     13.75030589    -14.78482227
  O     14.97031184     12.80037446    -14.77434143
  H     17.33938071      7.01885419    -17.15311860
  H     13.70575802      8.27563895    -17.18333059
  O     14.31776779      9.01612707    -17.08626073
  H     15.70220878      5.50332126    -16.39749203
  H     13.80509088      9.79772912    -16.82406725
          69
 Energy    -248.25629457285334     
  O     17.94124372      8.83763913    -14.47413868
  H     17.80326364      9.54574211    -15.11324697
  H     19.12525203      4.64094333    -11.55528114
  O     14.09710532      7.44717698     -9.03454531
  H     17.27130912      8.92911434    -13.77954514
  H     16.01618889      6.23024992    -11.22000512
  O     17.52361937     11.09252819    -16.05914149
  H     14.92802268      7.28975491     -9.51578359
  H     17.22654360      7.05818297    -10.62672845
  O     12.80073507      6.14971315    -11.24718757
  H     14.26459833      7.23530809     -8.12012961
  H     20.55421504      5.65773724    -12.80565932
  O     20.20110658      8.76564796    -12.95372631
  H     17.89077480     11.63391393    -15.33529260
  H     19.87712754      5.97556969    -14.15188688
  O     20.13479810     11.30655659    -11.98124150
  H     17.90749477     11.41315138    -16.87031972
  H     15.23972017     13.76168601    -13.02559721
  O     18.96610676      7.56006943    -10.68875009
  H     12.43043091      6.89814377    -11.73012784
  H     15.34572843     12.34684940    -13.64301338
  O     14.90914478     11.23648535    -14.93238420
  H     13.09724866      6.51001324    -10.40202593
  H     18.01250221      7.04167640    -14.69506652
  O     15.05763098      6.06350424    -15.07179737
  H     19.43078670      8.87838675    -13.53182524
  H     17.00180564      5.94486174    -15.00350663
  O     14.05480922      8.54275261    -14.34241112
  H     20.58087639      7.90878593    -13.19262555
  H     16.08091929      8.21881828    -11.87845825
  O     11.94743654      8.60339334    -12.50811704
  H     20.99538833     11.65476172    -11.76075052
  H     15.89955755      9.74674636    -12.00234804
  O     19.92786805      4.95512408    -11.09836507
  H     20.27731160     10.41012249    -12.33205102
  H     17.53307395     12.71686598    -13.45569546
  O     16.26703318      6.94188383    -10.61433505
  H     19.36758409      6.68108060    -10.66691061
  H     18.95274937     12.13096458    -13.21800224
  O     20.67136296      6.14395248    -13.63145653
  H     19.35242551      8.00013104    -11.45744085
  H     15.72535907     11.84429078    -11.45755483
  O     15.70862325     12.93406087    -12.95543886
  H     14.52407163     10.35566426    -14.86064666
  H     16.55148482     10.92643942    -10.48073857
  O     17.92261472      6.07907466    -14.74901154
  H     15.71445305     11.14345669    -15.45774677
  H     14.23229327      5.35809941    -11.98406452
  O     16.03525394      8.94117932    -12.51679013
  H     14.52741230      5.66512770    -15.75832697
  H     15.05426825      5.38711764    -13.29668739
  O     18.35702052     12.47178502    -13.89554269
  H     14.68335118      6.94501970    -14.90960885
  H     18.87579505     10.75327961    -10.65810841
  O     15.66722100     11.10899620    -10.83473031
  H     14.76064270      8.68320923    -13.69014838
  H     18.42411736      9.39814472    -10.09063051
  O     15.08689378      5.11586949    -12.37141750
  H     13.23165598      8.54934034    -13.83630748
  H     14.03165775     10.31632567    -10.51196627
  O     18.20449841     10.33637754    -10.10351552
  H     12.38953316      9.08349636    -11.78343424
  H     13.48905108      9.03638936     -9.84538040
  O     13.24548056      9.75930937    -10.43749763
  H     11.04053529      8.89735549    -12.51703323
  H     17.88043484      4.89347340    -13.32793256
  O     17.75774834      4.32641261    -12.55325368
  H     20.30346910      4.20290959    -10.64983877
  H     16.80867068      4.34343900    -12.38244804
          69
 Energy    -248.25614826184943     
  O     14.64776358     11.70818666    -15.57546528
  H     14.67878843     11.51986711    -16.52155403
  H     16.21761502      5.38255647    -16.10421641
  O     13.38336435      5.55499890    -14.50584618
  H     15.53314031     11.99488664    -15.32227790
  H     16.46565483     10.23517632    -18.19364979
  O     18.56204268      8.30295484    -12.11643614
  H     12.72946623      4.86420961    -14.56916213
  H     16.80707323      9.27818374    -17.04421389
  O     17.74200263      7.00685402    -18.44691639
  H     14.07576710      5.35000948    -15.16210264
  H     15.17105792      8.38157912    -15.59742221
  O     15.20519788      6.20412525    -18.95680744
  H     18.29625563      7.42467687    -12.42299085
  H     16.33392849      9.07175431    -14.81236419
  O     16.64425922      8.50422836    -10.08193324
  H     18.05786740      8.44774676    -11.30273368
  H     13.52297753     10.91311004    -14.51269410
  O     14.86827050      6.41535916    -12.30409132
  H     17.99921653      6.69143760    -17.57221487
  H     12.11459606     10.96908828    -13.87789305
  O     16.78039779     10.02417196    -13.34527294
  H     17.67797814      7.97042279    -18.37877987
  H     17.25181939      4.87383282    -10.17152649
  O     17.84400630      6.38332423    -15.63912229
  H     16.13233305      6.48421254    -18.85087129
  H     18.74328548      4.56752655     -9.95904004
  O     15.67396064      5.78446661     -9.75361279
  H     15.16080132      5.70922452    -19.77083705
  H     13.20423341      7.31123806    -15.14282836
  O     19.04063261     10.85735117    -16.12169572
  H     15.87163261      8.85485271    -10.54109493
  H     13.05406956      8.86636393    -14.97443163
  O     15.31293703      5.13967541    -16.33044316
  H     16.39019765      7.61794085     -9.79966997
  H     19.27433575      7.74902767    -15.11341917
  O     17.17443280      9.68236354    -17.84673296
  H     14.30976890      6.07350861    -13.01221370
  H     19.54923290      8.48631800    -13.79377225
  O     16.12683824      8.50333221    -15.56613732
  H     14.72952990      7.37262026    -12.24917335
  H     17.82592825      5.23983348    -12.23839711
  O     12.88630130     10.41609370    -13.96580365
  H     17.53692469      9.54884770    -12.97598350
  H     16.61602808      6.02242940    -12.81302105
  O     18.03315741      4.48434815    -10.59212014
  H     17.06504071     10.87895647    -13.68867705
  H     14.38608623     11.52698551    -19.08606309
  O     13.32795308      8.16344806    -15.57718721
  H     17.22779073      7.13623416    -15.62668466
  H     14.32180590     10.14196231    -18.39863452
  O     19.71748164      8.51949051    -14.74318573
  H     17.86382307      6.03976505    -14.73430134
  H     13.85272825      9.58126896    -12.52838160
  O     17.54696988      5.81123023    -12.96695269
  H     14.94367211      5.54461322     -9.18854962
  H     15.37900895      9.50573662    -12.47340884
  O     14.73930640     11.02201797    -18.35876506
  H     15.30390834      5.93884017    -10.64005739
  H     17.98746087     11.88663672    -15.26229176
  O     14.57514277      9.15602982    -12.05403257
  H     18.52342046     10.50743978    -16.85908524
  H     17.70159336     13.21687527    -14.52185342
  O     17.32477705     12.36714100    -14.73113132
  H     19.38361577     10.08777975    -15.64541028
  H     13.43212827      8.37781503    -17.39555845
  O     13.68081295      8.53485843    -18.31700197
  H     15.18213566      5.43402489    -17.24093594
  H     14.17187450      7.75344776    -18.59784644
          69
 Energy    -248.25605120914102     
  O     10.67055501     -6.07509481     -7.21839719
  H     11.17487441     -5.30414600     -7.50509747
  H      8.82928437     -2.87454415     -1.44080577
  O      6.32553305     -4.02796451     -0.11423963
  H      9.73801084     -5.87673618     -7.36793549
  H      6.11135730     -6.75912201     -1.29654419
  O     10.09047107     -4.23333202     -4.35030358
  H      6.40065022     -4.98883290     -0.06835612
  H      6.20693491     -7.59223113      0.00373511
  O     11.75961932     -2.80573031     -0.15703006
  H      7.23130077     -3.69300650     -0.14763269
  H     12.06995630     -1.81086381     -3.22387917
  O      5.21197453     -6.32612192     -2.73255422
  H      9.60708104     -5.06348884     -4.26827486
  H     12.72316147     -3.21626073     -3.05086399
  O     10.16141866     -2.43839791     -6.48032819
  H     10.99446197     -4.43607397     -4.08386904
  H     13.78048320     -2.61478097     -4.98901704
  O      9.14109873     -6.80751339     -3.78338564
  H     12.23722503     -2.31010717      0.50310288
  H     13.50643793     -4.11888227     -4.90823782
  O      6.85525230     -5.96500162     -5.00360992
  H     12.11566040     -2.53568994     -1.02119307
  H      7.72115430     -4.54809265     -7.46277052
  O      9.21394477     -6.07117541     -1.12463458
  H      5.66526986     -6.31007786     -3.58526208
  H      7.44852932     -5.72465716     -8.42874570
  O      6.33217838     -3.25019916     -4.39173404
  H      4.86463693     -5.43520416     -2.59971286
  H      8.34674631     -2.56241231     -6.85941902
  O     11.62349728     -7.34963346     -5.04822275
  H     10.10711370     -3.10846894     -5.78063194
  H      6.99199126     -2.82523543     -6.14758481
  O      9.01097776     -3.33153009     -0.60514957
  H     10.83910579     -2.75415918     -7.08820585
  H     11.97495185     -4.67700075     -0.58814212
  O      6.61559778     -6.87357902     -0.47089015
  H      9.22576032     -6.62127686     -2.83659932
  H     11.08250351     -5.87247458     -0.97810832
  O     12.69429452     -2.32640324     -2.68735909
  H      9.97811065     -7.15913533     -4.10756248
  H     12.51221112     -5.34769347     -2.69283850
  O     13.71654526     -3.40501948     -5.52736296
  H      7.61440559     -6.36606757     -4.55351572
  H     12.41152096     -5.96660927     -4.11959178
  O      7.88759359     -5.49641771     -7.61309249
  H      7.10028059     -5.90834542     -5.93431887
  H     10.68825182     -1.24704920     -5.07434299
  O      7.45034819     -2.90069969     -6.99384403
  H      8.38308377     -6.46000060     -0.82257670
  H     10.00630462     -1.11459865     -3.71291123
  O     11.98423088     -5.53019855     -1.03912999
  H      9.13542571     -5.11664536     -0.97930290
  H      7.74655880     -2.46369608     -3.50706507
  O     12.65381609     -5.16507038     -3.63592927
  H      6.52597139     -4.18015197     -4.57854951
  H      9.20319500     -2.94178432     -3.48550465
  O     10.83784196     -0.93657490     -4.17214673
  H      5.66039456     -3.25088786     -3.69845102
  H      3.83256947     -3.13862554     -1.87386632
  O      8.60292605     -2.28484833     -3.09849296
  H     12.00625081     -8.18392429     -5.30547457
  H      5.21912366     -3.65173676     -1.41815686
  O      4.62316811     -3.57137594     -2.18444025
  H     11.28543150     -6.92736622     -5.86027837
  H     12.79408085     -3.58821443     -8.59289638
  O     12.26108490     -3.76540931     -7.82205602
  H      9.90219665     -3.07976545     -0.33724344
  H     12.83391005     -3.62730104     -7.04793585
          69
 Energy    -248.25582771072106     
  O     14.74360687      3.14749098    -10.42115356
  H     13.89398268      3.61226282    -10.45898580
  H     15.17104753      5.89601760    -15.43074850
  O     12.32975573      4.49479559    -10.65604476
  H     14.55113918      2.20911313    -10.53446105
  H     15.42963526      8.61424306     -8.10920512
  O     15.96082540      3.55871325    -12.92828953
  H     12.49284711      5.07170516    -11.41751206
  H     15.99160153      9.94965436     -7.56140896
  O     16.97062868      7.66039992    -13.45923540
  H     12.12501133      5.07789174     -9.91620656
  H     15.58126361      6.41171267    -10.66158915
  O     12.01841235      8.23574401    -10.92984304
  H     15.57683540      3.46735683    -12.04674588
  H     15.02642022      7.82580868    -11.04276911
  O     11.75697818      2.15444600    -12.13313369
  H     16.79021807      4.04804629    -12.83714355
  H     13.65049103      6.94774939     -8.11562108
  O     13.96545609      0.55847915    -11.20311786
  H     16.41172640      7.35047276    -12.72760337
  H     15.09842533      6.42356319     -8.24945872
  O     18.56354026      9.52154360    -12.01635278
  H     16.60640210      7.30759227    -14.28433741
  H     11.80008507      2.00276074    -15.30729063
  O     18.30899154      8.29351799     -9.52718503
  H     12.78439248      8.82248200    -10.86358901
  H     12.15746381      2.30253841    -13.83322209
  O     13.00582755      6.23361689    -12.69314536
  H     12.18717824      7.65437600    -11.68268335
  H     11.88322935      7.21901481     -9.51962322
  O     15.92579796     10.29083039    -13.04244727
  H     11.78740492      2.94796426    -11.58298455
  H     11.11654281      6.74177536     -8.26315810
  O     15.81845900      6.56949057    -15.69322543
  H     12.37719432      1.53185911    -11.73399975
  H     18.44807620      5.31668740    -11.67127596
  O     15.93381317      9.41444083     -8.34829937
  H     14.08298624     -0.34824589    -10.93447552
  H     17.96739683      6.00825708    -12.96427503
  O     15.31377558      6.97407323    -11.39825070
  H     14.33166924      0.63745346    -12.10261755
  H     13.51953732      3.89660870    -14.84873515
  O     14.56504135      7.14324260     -7.88260861
  H     18.27964144      8.77935113    -12.56738563
  H     14.80484741      4.27820564    -14.07321802
  O     12.49088569      2.34661257    -14.74747280
  H     17.90432009     10.19947612    -12.19293665
  H     15.42052254      1.87339437    -13.54074837
  O     11.89940558      6.58042304     -8.78359074
  H     18.46673702      8.79254503    -10.34099846
  H     14.11642788      1.40422650    -14.21039603
  O     18.17408084      5.14904640    -12.58207894
  H     17.54375257      8.69252778     -9.09975737
  H     17.01671462      5.27420782     -9.41008313
  O     14.13093384      4.62354422    -14.68119766
  H     13.83785269      6.47767957    -12.25770373
  H     15.70145330      4.43452280     -9.59047662
  O     14.87769924      1.08958687    -13.70802298
  H     13.25623496      5.73592784    -13.48028691
  H     18.64502194      6.62547294     -9.70086513
  O     16.05871613      5.28152647     -9.29046476
  H     16.24353718      9.41325290    -13.30555507
  H     19.57982257      5.42659603     -9.40436615
  O     18.76717373      5.66771489     -9.84032538
  H     15.63080050     10.71961818    -13.84276584
  H     14.97301216      9.95957629    -11.46982022
  O     14.49047127      9.56367967    -10.73257547
  H     16.15367690      6.29209030    -16.54267636
  H     15.00550475      9.68650855     -9.92403303
          69
 Energy    -248.25580737838720     
  O     17.92292238     10.61142594    -13.25409064
  H     18.06683913     10.86479973    -12.33494253
  H     16.23990459     10.84889656    -13.82046746
  O     17.96800551      8.15404644    -10.21831315
  H     18.27597029      9.71549121    -13.32104092
  H     15.12606445      8.57823173    -10.78867423
  O     13.68753994     10.64786005     -9.06446856
  H     17.03637372      8.33877098    -10.02388834
  H     14.72614490      9.16943686     -9.41547022
  O     13.26496516      9.57869402    -15.37494865
  H     18.09780902      7.22490868     -9.98040076
  H     14.90418116      9.46848887    -12.92462370
  O     18.18671670      3.76525914    -12.04597454
  H     13.10617742     10.83452542     -8.33255361
  H     15.38120976      8.00155195    -13.01356273
  O     14.28662113      6.95488596    -15.99856879
  H     13.17001040     10.78972813     -9.87807821
  H     12.82402550      6.01894271    -13.46247202
  O     14.96692315      5.73257600     -9.95263603
  H     13.61431572      8.71823071    -15.63392099
  H     13.97719955      4.99308068    -13.52039160
  O     12.43101693     11.18618514    -11.40662430
  H     14.01340076     10.08937806    -15.03504106
  H     16.10320052      6.10665452    -13.58322316
  O     19.99441285      5.47286751    -13.16672179
  H     18.55561702      2.88721074    -11.99361500
  H     15.76803863      6.94578592    -14.85662468
  O     15.78587168     12.23115440    -10.21409958
  H     18.85526185      4.32489220    -12.47739641
  H     18.27666958      9.92026691    -10.27673395
  O     14.37747027     13.02963231    -12.37520034
  H     14.20685362      6.56031990    -16.86308163
  H     19.10086164     11.19175498     -9.98794459
  O     15.28459689     10.91499994    -13.97113232
  H     13.85158262      6.34997278    -15.37050020
  H     18.40192065      7.95670892    -12.01510812
  O     15.27756913      8.49857471     -9.83245913
  H     15.05781994      6.68553510     -9.81274311
  H     17.85523663      7.53919630    -13.41717937
  O     14.83914821      8.60725139    -12.49265353
  H     14.01608134      5.55496537     -9.93895380
  H     18.01574109      4.83746737    -10.42866633
  O     13.26105513      5.37929796    -14.04097260
  H     12.00087138     10.69889130    -12.11809659
  H     16.83360384      5.42344724     -9.64225286
  O     16.34392344      6.90098652    -14.08385495
  H     12.97342958     11.86756756    -11.82377369
  H     10.44316283      9.97500492    -14.00869103
  O     18.29763439     10.88330879    -10.40111393
  H     19.61056039      6.36290223    -13.11156840
  H     11.94173827      9.68087363    -14.25494590
  O     18.63982061      7.86496627    -12.94856632
  H     20.83780255      5.57615132    -13.59914662
  H     16.43113307      4.30695707    -12.39938542
  O     17.79691861      5.45308760     -9.72047755
  H     16.62944456     11.76363757    -10.22390565
  H     15.35415440      5.10441329    -11.62134562
  O     11.24913784      9.71696190    -13.57005651
  H     15.17191400     11.69802929     -9.69425854
  H     12.16853113      6.26411593    -10.95311276
  O     15.59051519      4.77129491    -12.49940348
  H     14.93448508     12.81360980    -11.60450717
  H     11.57253858      4.92495695    -10.49260377
  O     12.23052050      5.57886656    -10.26867301
  H     14.38858375     13.97800075    -12.46826539
  H     13.21130196      7.82699462    -12.34490484
  O     12.32565979      7.43408911    -12.34186126
  H     14.97764613     11.70939876    -13.51714243
  H     11.75238731      8.11184051    -12.71747324
          69
 Energy    -248.25568767556700     
  O     13.26276695     11.03781303    -16.02178362
  H     13.94151668     10.50104222    -15.58524982
  H     18.02508121      9.95985012    -12.42993440
  O     15.77503896      7.54825872    -12.98818969
  H     12.45783548     10.88934251    -15.50486803
  H     16.75186446     10.89631590    -16.75103804
  O     15.18561650     11.41179872    -11.60765355
  H     15.55918552      8.19142731    -13.68248536
  H     16.75518344      9.56881497    -17.59675379
  O     15.78928141     12.33747492    -16.30002088
  H     16.22814488      8.04068439    -12.29041341
  H     14.54324150      8.49760218    -15.55790183
  O     13.38393742      7.32295669    -16.47427822
  H     15.57738565     11.89479426    -12.34395343
  H     15.82223133      9.39000659    -15.65385262
  O     12.13140100     10.49818331     -9.16490550
  H     14.31032010     11.09659633    -11.87246173
  H     11.66049692     10.35969777    -13.49046454
  O     13.15501321      7.53155526    -12.09519540
  H     16.05870869     12.49599772    -15.38492583
  H     11.22353468      9.21709275    -14.41337580
  O     17.25636853      6.50001469    -15.14339150
  H     14.84415018     12.14585483    -16.27415529
  H     16.14850676      8.15967566     -7.79164421
  O     13.36220592      7.90290015     -9.31098339
  H     14.11253507      6.76779349    -16.78391146
  H     14.98978803      8.30752982     -8.80603859
  O     19.01336316      8.72826052    -15.36658609
  H     13.18991655      7.97022871    -17.16645537
  H     12.19340588      7.21770687    -15.16217617
  O     15.70729177      6.05972692    -17.31205455
  H     11.51812012     10.94198448     -8.58610405
  H     10.87230991      6.63628527    -14.61009923
  O     18.35193030     10.45838726    -13.19008288
  H     13.01689489     10.85241727     -8.96506754
  H     17.22918733     13.38603358    -13.41439163
  O     17.13468643     10.00961616    -16.82266592
  H     12.57791692      7.33636729    -12.84302229
  H     17.36386033     11.84980741    -13.52804324
  O     15.07355466      9.15545879    -15.08848495
  H     14.06848633      7.41566965    -12.39468154
  H     16.27987425     10.00558739    -11.28960212
  O     11.26415491     10.17799033    -14.35472343
  H     16.78275351      6.68419132    -14.32142997
  H     16.68473811      8.98391735    -10.20369565
  O     15.86663205      8.65205351     -8.55757347
  H     17.94451926      7.17416868    -15.20467486
  H     15.20516724     10.48017610     -8.61414675
  O     11.56622172      7.26372613    -14.42153009
  H     13.24093606      7.63551002    -10.23189319
  H     14.95331369     11.49148378     -9.74980121
  O     16.74619748     12.59501238    -13.64290027
  H     12.81358125      8.68737640     -9.18818868
  H     14.90320654      8.88520825    -18.70501094
  O     16.86984934      9.25685801    -11.10994866
  H     19.87657040      8.77619794    -15.76986675
  H     15.80568027      7.67623482    -18.36193395
  O     14.71361520     11.28056690     -8.83625965
  H     18.40574536      9.22730548    -15.94241464
  H     12.33958911     10.43166934    -11.02533657
  O     15.81399928      8.56741820    -18.73326740
  H     15.92066332      5.20397500    -17.67399548
  H     12.86500016      9.34291544    -11.99298637
  O     12.65901017     10.28660928    -11.92509017
  H     16.28872483      6.19018740    -16.54087574
  H     12.49537991      9.79078333    -18.90767620
  O     13.11162421      9.45805092    -18.26045243
  H     18.63245195      9.81522659    -13.85082752
  H     13.13832028     10.10872293    -17.53786766
          69
 Energy    -248.25549074954210     
  O     10.36496246      5.36755082    -12.10133390
  H     10.48358292      6.32265276    -12.16876944
  H     15.89292010      6.48049536    -14.52813207
  O     14.60412114      4.35308085     -8.59533850
  H     10.80646082      4.99052664    -12.87081891
  H     14.09929675      5.11016014    -12.22037518
  O     16.15717093      9.46426098    -13.50676781
  H     15.33936529      4.70856869     -9.11096681
  H     14.64954774      6.41979637    -12.85613591
  O     17.34598407      5.52473815    -14.19509526
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  H     10.82876626      4.61634071    -10.54592682
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  H     13.86934618     10.89863658    -15.05544422
  O     12.59308987      6.11450118     -8.10701019
  H     17.78930024      6.21850762    -13.68137368
  H     14.79997565     12.04556417    -15.51793752
  O     12.43292829      7.16234922    -14.73579189
  H     17.24642662      4.76980111    -13.60750282
  H     12.85658926      7.25465727     -9.52485850
  O     13.66879681     11.58158986    -12.11023760
  H     17.79889754      8.68599882     -9.38173637
  H     13.48819908      7.04480921    -10.93161263
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  H     16.54534064      8.71167432    -10.27898409
  H     17.69979609      8.41417217    -13.13862177
  O     16.48104092      5.50027974    -10.36372338
  H     10.98825285      9.81073114    -12.62610069
  H     18.11016669      7.81808843    -11.79681122
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  H     10.14050310     11.10162239    -12.70124334
  H     14.61640846     10.35615182    -11.19758284
  O     14.36350229      6.01696719    -12.02508823
  H     13.34364517      5.50038278     -8.20138044
  H     14.35878046      8.93767444    -10.63770865
  O     11.19720711      4.20094609     -9.75170741
  H     12.45942437      6.24685500     -7.17245005
  H     12.33392963      9.02283392    -15.23559396
  O     14.65541716     11.42051017    -14.81313644
  H     12.17858791      6.23309555    -14.71926622
  H     11.82723018     10.30111429    -14.53260555
  O     13.06288724      7.70060321    -10.35479902
  H     13.40330108      7.16332560    -14.74164291
  H     12.38818045      3.02546737    -10.02689061
  O     18.25954143      7.73141724    -12.74402084
  H     12.73870613     11.37216600    -12.26102538
  H     12.90429722      1.57491570     -9.85174048
  O     15.06179796      9.55056888    -10.89416618
  H     14.04656177     11.70064866    -12.99022182
  H     11.82460868      7.99926503    -11.62527493
  O     12.39148256      9.98580442    -15.25046319
  H     17.46731408      2.81483792    -12.00124228
  H     11.68621916      7.78052875    -13.17015922
  O     13.14815809      2.43335241    -10.18673670
  H     16.81940111      4.12642176    -11.50548675
  H     12.67416543      3.93575630    -13.81606387
  O     11.22026431      8.08493044    -12.37720677
  H     15.74221604      5.72988530    -10.95042347
  H     11.65206476      3.71724376    -14.94899023
  O     11.94843823      4.35578239    -14.30380573
  H     16.88912718      6.34097142    -10.12693560
  H     14.94536728      3.27022048    -12.66110886
  O     13.98176995      3.33817035    -12.67050304
  H     15.49131884      7.95253010    -14.21256655
  H     13.66657599      2.94841466    -11.84167422
          69
 Energy    -248.25531741296084     
  O     10.91954872      9.30352610    -13.39878407
  H     11.22815753      8.86179609    -14.20279588
  H     17.45005063      6.41246170    -15.92580128
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  H     11.29524519     10.19091266    -13.41721924
  H     14.74916571     11.32220399    -15.51544869
  O     16.89374537     10.06836806    -12.26223432
  H     16.69411245      6.71278782    -13.16868519
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  H     15.47915008      6.00093989    -12.49056327
  H     13.65659900      8.34007284    -14.60939237
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  H     15.97524172     10.26997730    -12.03130374
  H     14.86992134      7.70692832    -13.85032737
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  H     16.94371860     10.32513345    -13.19400561
  H     10.98140426      8.15566616    -12.11878015
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  H     15.72447427      9.68580791    -14.80325475
  H     10.20060626      7.35628956    -11.04867814
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  H     16.89487527     10.10705636    -15.73844260
  H     19.76705862      5.38033181    -10.95318060
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  H     17.85593469      8.50659254    -12.72817061
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  H     18.65203117      7.20719138    -12.35047731
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  H     16.66871369      9.09599623    -10.53968706
  O     11.06459088      7.46390901    -11.43711284
  H     15.40046425      7.27658399    -17.11738227
  H     15.38289603      8.54744443     -9.87491232
  O     19.20120341      6.14679733    -11.01045167
  H     16.18806472      8.51270754    -17.61099330
  H     13.92497536      9.01452202    -17.71632781
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  H     17.01603732      5.86876004     -8.31891475
  H     12.83215994      9.71544944    -18.56240392
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  H     16.82287586      6.95183574     -9.40721774
  H     12.65919766      7.94240527    -10.58019375
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  H     18.08232648      8.45573926    -16.68381019
  H     13.71105044      9.00833131    -10.91632959
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  H     18.58918569      9.54883666    -17.65701965
  H     12.81055568     11.76826937    -14.33239084
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  H     14.59005790      5.48935498    -16.03146100
  H     11.92496306     12.71907907    -13.49443832
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  H     15.68219732      5.86626671    -15.04392127
  H     12.34768753      8.48920984    -16.36686523
  O     12.10569428      8.01594599    -15.55961819
  H     18.29282692      7.17786780    -14.86592810
  H     12.24758160      7.07078450    -15.69576812
          69
 Energy    -248.25512796736717     
  O     -5.51893936      1.99187597      1.88193360
  H     -6.44137448      1.85802110      2.08088773
  H      1.76114892      2.00119477      3.92483707
  O     -1.73884295     -3.54280216      1.28439078
  H     -5.15387903      2.55048497      2.59174663
  H     -2.03077218      3.15589624     -2.14733696
  O     -0.23551315      3.68077303     -2.57823441
  H     -1.25813055     -4.21064573      1.76808370
  H     -2.75493740      1.83894639     -1.81173034
  O     -2.23715335      0.05154090     -1.29300787
  H     -1.76892891     -2.76488913      1.86382424
  H      0.24635915     -2.02214892     -1.02507136
  O      1.42535180      0.29811242      4.44696948
  H      0.13121813      4.06284926     -1.76144274
  H      0.99173216     -0.69537757     -1.23188518
  O      0.81040021      4.49349472     -0.20222924
  H      0.04206218      4.24444403     -3.29520493
  H     -1.60267588      2.51059233      3.47244961
  O     -1.31713582      2.48653924      1.69501453
  H     -2.64132677      0.18172059     -0.42308794
  H     -1.14676010      3.40819958      4.63163378
  O     -1.37033124      0.08259794      5.21813032
  H     -2.08843202     -0.89706340     -1.38735227
  H     -3.94012636      5.19728413      1.21452498
  O     -1.54759483     -2.69089264     -1.30485966
  H      0.54638385      0.16698318      4.81922107
  H     -4.18303912      6.60293686      1.82030934
  O     -1.70808682     -1.18809357      2.72190463
  H      1.43064182     -0.19290535      3.61378049
  H     -2.57746389      1.32526124      1.34217664
  O      0.96195846     -0.77024981      1.87098317
  H      0.23459219      4.89962207      0.46048889
  H     -4.08028530      0.94456911      1.44098328
  O      1.82620992      2.85211332      3.46477510
  H      1.16682768      3.69803365      0.20708982
  H     -3.49968845      3.31589812      4.07784089
  O     -2.87636542      2.79464699     -1.85666138
  H     -1.31714397      3.44759480      1.60157855
  H     -4.11539428      4.44214978      3.21867923
  O      1.04842371     -1.54629199     -0.77850145
  H     -0.44420615      2.18446430      1.41572234
  H      0.22263547      1.90937115     -2.14119970
  O     -1.74280182      2.68014994      4.41728274
  H     -1.70742022     -0.08138377      6.09537102
  H     -0.56435402      0.72755799     -1.52748845
  O     -3.67866081      5.80246848      1.93546861
  H     -1.54104912      1.01929785      5.02256134
  H      0.82001187      4.09810538      4.07180866
  O     -3.20480850      0.59008272      1.24614810
  H     -1.78754530     -3.39333552     -1.90382136
  H      0.62078035      5.32663296      4.99413650
  O     -4.32883277      3.63161847      3.69825251
  H     -1.65978015     -3.03928491     -0.40380845
  H     -3.88126733      3.59858309     -0.61135939
  O      0.32937618      1.07555538     -1.66801317
  H     -2.30043237     -0.60326389      2.22640773
  H     -4.86059776      3.26881317      0.54667332
  O      0.16509632      4.74947684      4.38804228
  H     -1.64924678     -0.84386348      3.62107973
  H      1.26320575      0.91867481      1.28223652
  O     -4.39573431      3.98998643      0.10984719
  H      0.04233657     -0.93058321      2.11976808
  H      1.00853500      1.58256146     -0.08322879
  O      1.24975838      1.77808986      0.83478735
  H      1.08488661     -1.15525649      0.99066662
  H     -1.86990668      5.56778846      1.89051802
  O     -0.95779347      5.25364358      1.83215274
  H      1.82869425      2.63272174      2.52808660
  H     -0.59712610      5.21198493      2.72753146
          69
 Energy    -248.25506731471773     
  O     18.24265177     10.69957467    -17.79259180
  H     18.52646578     10.05494439    -18.45064116
  H     18.24147850      6.15642490    -12.30718880
  O     15.62097721      5.78014405    -13.69214247
  H     17.94266415     10.18379201    -17.02842313
  H     16.33654641      9.43914308    -15.50700011
  O     16.34927181     13.28853372    -11.94908603
  H     16.25410739      5.87085646    -12.95535506
  H     17.75546346      9.58955207    -14.85245817
  O     20.81356342      8.49022031    -14.57090682
  H     15.16259398      4.95443057    -13.55991656
  H     16.53403509     11.40327811    -18.08550099
  O     16.50736648      7.31912097    -18.46054263
  H     15.45778494     13.36574710    -12.30936298
  H     15.42523541     12.03996796    -17.21993557
  O     13.79102867     10.69817204    -11.63641098
  H     16.93263322     13.16436315    -12.71033293
  H     16.24197798      8.85377228    -12.13742403
  O     14.69870637      8.39586412    -13.03157516
  H     21.75984985      8.60920059    -14.59105325
  H     16.82817649      9.76572077    -11.02916209
  O     17.78737956     12.59037364    -14.25402695
  H     20.55287127      8.17985011    -15.45593059
  H     14.78006621     10.09013269    -18.24540808
  O     19.40554918      6.14458125    -13.69750084
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  H     13.62028643      9.21503712    -18.78293009
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  H     15.75215744      7.91155357    -18.35605972
  H     16.33016193     11.58103336     -9.27077924
  O     17.37548652      6.53337269    -15.80499483
  H     13.95429000      9.83902064    -12.04522130
  H     16.31566718     12.01842947    -10.75586682
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  H     14.51240609     10.83511497    -11.00938148
  H     19.54540260      9.58116037    -13.74579504
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  H     14.55799268      8.83694240    -13.88318790
  H     18.30103000      9.68376702    -12.77863348
  O     15.59166341     11.61869902    -18.07323538
  H     14.87235932      7.46910806    -13.23199136
  H     13.66386643     12.16115339    -12.59046627
  O     17.04884602      9.05082630    -11.63939760
  H     18.20264959     11.77877256    -13.93008085
  H     12.91081377     13.47893857    -12.89077486
  O     14.36849758      9.20790740    -18.19155794
  H     18.30165702     12.87761550    -15.02133819
  H     19.14117867      6.90512421    -16.66963297
  O     16.18351133     11.26154565    -10.15672592
  H     19.99887995      6.88457142    -13.87069048
  H     19.69086066      7.80016587    -17.78741124
  O     18.78512727     10.12070843    -13.49444237
  H     18.78803760      6.13757450    -14.43746559
  H     16.12241332     12.42853174    -14.99626956
  O     13.71328102     13.00104730    -13.08158588
  H     14.33133634      9.44678003    -16.34332208
  H     14.63088634     12.67392664    -14.65068922
  O     19.91085111      7.42611952    -16.92623298
  H     14.67735825     10.64205148    -15.39872192
  H     18.90519917     12.24145840    -17.09740569
  O     15.22169611     12.34892585    -15.34236019
  H     16.72254831      6.20385118    -15.17460699
  H     19.25357805     13.72797791    -17.27947890
  O     19.12775134     13.05404556    -16.61603473
  H     17.37715859      7.50208802    -15.72167248
  H     17.96734005      8.02158264    -19.12139059
  O     18.81121299      8.44574523    -19.36208628
  H     17.39315929      7.18445958    -11.52635292
  H     19.00826221      8.18150286    -20.25638471
          69
 Energy    -248.25502396675893     
  O     16.62164642     10.35571462    -17.68514063
  H     16.95776954      9.78164364    -16.97907967
  H     18.83921688      5.75031087    -11.28755765
  O     16.66998115      5.50598429    -14.03490676
  H     15.68233975     10.48762982    -17.51811813
  H     19.95548519     11.41409273    -16.75428251
  O     16.90334233     14.44354924    -12.56093982
  H     17.26098989      5.66291970    -13.28758469
  H     21.48664740     11.42312479    -16.97719442
  O     20.00569547      9.50853139    -14.38008021
  H     16.05491147      6.24777697    -14.04112152
  H     17.81860822      7.79337214    -16.07224127
  O     15.89470180      6.46014595    -18.38947694
  H     16.40312842     15.20719131    -12.28364797
  H     18.48840282      8.94966944    -15.26985715
  O     15.21670364     10.84215614    -11.35795418
  H     17.01418632     13.89106345    -11.77215798
  H     14.08078279     10.81994140    -15.95155639
  O     15.42144667      8.13660642    -14.30070780
  H     20.37249552     10.06144651    -15.08226268
  H     13.20269987     11.21067044    -17.16095036
  O     17.11199053     12.30747245    -14.28969247
  H     19.65371713     10.07156527    -13.67854017
  H     16.25540078      8.37114040    -12.70174891
  O     20.34675607      6.82394986    -13.82416650
  H     15.64689584      5.66615269    -18.85756119
  H     17.39240898      7.80425018    -11.82129826
  O     20.57486971      5.95723960    -16.53121794
  H     16.56670731      6.19762134    -17.73600023
  H     14.61401694      7.36219988    -17.27899195
  O     17.78417626      5.95318155    -16.49801924
  H     15.66970832      9.98836199    -11.38427908
  H     13.89777655      8.67462740    -16.86942728
  O     18.46800119      6.30254585    -11.97016496
  H     14.85740055     10.97482249    -12.24277259
  H     17.24989948     12.51267889     -9.58732233
  O     20.76471726     10.87617778    -16.68013870
  H     16.26206067      8.34325236    -14.74419819
  H     16.42280847     11.96384921    -10.77631101
  O     17.66985537      8.67184261    -15.69811583
  H     14.80008182      7.91085195    -15.00975157
  H     17.96033627      9.98105803    -12.24070325
  O     13.90304069     10.62418233    -16.88595229
  H     17.64015149     11.73724016    -13.71557445
  H     18.28714375     11.39430236    -11.70654580
  O     16.82173010      8.57399003    -11.94366974
  H     17.01147207     13.14776902    -13.81959332
  H     19.49448963      8.31322146    -18.41677920
  O     14.04689923      7.75876915    -16.60541860
  H     20.34346635      7.78083325    -13.97156922
  H     20.46922202      9.14975174    -17.54305625
  O     17.19049521     12.51581866    -10.53886862
  H     20.49372769      6.42949189    -14.69115714
  H     14.93996789      9.95291240    -14.21499113
  O     18.50965839     10.76336841    -12.40025800
  H     20.54064487      6.79703098    -17.02774385
  H     15.54631583     11.39174059    -14.32326731
  O     20.29486179      8.26268247    -17.87314152
  H     21.23532668      5.41519900    -16.95316992
  H     17.81000310     11.69071567    -17.25989701
  O     14.71795038     10.89354229    -14.24282260
  H     17.44823893      5.67087274    -15.63378498
  H     18.02007156     12.38475303    -15.91208130
  O     18.44199611     12.23262371    -16.76755405
  H     18.73723241      5.80655111    -16.52299635
  H     17.44176612      9.19694770    -18.88876119
  O     17.87076030      8.40631648    -19.24410147
  H     19.17847384      6.46662230    -12.61752960
  H     17.21622671      7.70844653    -19.13047372
          69
 Energy    -248.25491335260688     
  O     17.15946357     10.14423013    -11.30500475
  H     16.47721177      9.68281673    -11.81077219
  H     13.47485592     10.32027691     -9.62474823
  O     14.64523616      6.10801417     -6.87797506
  H     18.02034456      9.77198465    -11.52985281
  H     19.01122482      4.31991295    -12.72332297
  O     16.03813606     12.35055448    -10.17371371
  H     14.43563417      5.46358134     -6.20712186
  H     17.74720194      5.21048571    -12.69379881
  O     12.88368312      7.09484426     -8.95004592
  H     14.87671803      6.92990759     -6.40954915
  H     16.41800374      7.30160136     -8.98536260
  O     14.95553074      8.91778517    -12.47377960
  H     15.13845153     12.22902025    -10.48947748
  H     15.98909804      6.03042451     -8.24265639
  O     19.64856389      9.02853175    -11.66095309
  H     16.53150360     11.63373036    -10.60498047
  H     19.21295688      8.25163060    -13.29732627
  O     20.65971149     10.89374726     -9.81590548
  H     12.96574344      8.05135108     -8.84770107
  H     18.90019693      6.77516556    -13.57067771
  O     19.01591198      6.75611550    -10.15772440
  H     13.38278622      6.71097627     -8.21770150
  H     16.18316036      7.97428003    -15.67374836
  O     16.58436707     11.99812059     -7.37946085
  H     14.80275870      8.11926749    -11.94695808
  H     17.18465912      7.86848369    -14.49903787
  O     13.62054837     11.08567106    -11.33167924
  H     15.30434279      8.63065007    -13.32782482
  H     16.74186724      9.23125714     -8.16242185
  O     14.10148228     10.98520314     -6.34627807
  H     20.10935953      9.67857802    -11.11608180
  H     16.66359492      9.43118792     -9.71775983
  O     13.62337463      9.85309694     -8.79450968
  H     19.47041250      8.25461122    -11.10462710
  H     18.00642643     12.90048880     -9.72610899
  O     18.70230833      5.19492987    -12.50350220
  H     19.98914247     11.55839632     -9.58424798
  H     18.27301500     12.58277596     -8.27263792
  O     16.52775425      6.33548793     -8.98190742
  H     21.50726494     11.32555179     -9.74151611
  H     14.81975889      9.25852227     -5.74153125
  O     18.82246649      7.65863602    -13.95262842
  H     19.03086026      6.15941796    -10.91725256
  H     16.24377160      8.70982401     -5.85269154
  O     16.23706142      7.88649432    -14.72602041
  H     18.19721229      6.54476476     -9.68653353
  H     15.36123454      6.38362602    -10.42120275
  O     16.23247183      9.02306021     -8.95662331
  H     16.32806317     12.09995844     -8.30799303
  H     13.86177389      6.68801329    -10.43540621
  O     18.72716966     12.71685837     -9.11366235
  H     15.77171779     11.77849580     -6.90796608
  H     20.19168439      9.42491253     -8.68447612
  O     15.33115865      8.44588891     -5.66596358
  H     14.04583595     10.34765981    -11.79905872
  H     19.67498271      7.96860560     -8.74483485
  O     14.62386314      6.56694899    -11.01918114
  H     12.91723193     11.39293262    -11.89884889
  H     17.51754676     10.46598921     -6.80643233
  O     19.81899185      8.71350508     -8.14994810
  H     13.33541230     11.39370084     -5.95094039
  H     18.51872833      9.27205219     -7.07261009
  O     17.69414524      9.53141949     -6.63410188
  H     13.81658147     10.62367511     -7.20319582
  H     15.45611795      5.70778293    -12.44836753
  O     16.07128128      5.46421174    -13.15318766
  H     14.53352320      9.51518177     -8.83408095
  H     16.03004481      6.18308900    -13.79466427
          69
 Energy    -248.25484771024315     
  O     12.01474075     12.84035245    -13.01530171
  H     11.76357563     11.94558150    -12.71975252
  H     19.26669861     12.91250804    -15.54385779
  O     20.30025188      8.75008188    -11.36162537
  H     11.20538528     13.32902868    -13.13624015
  H     13.75124041      9.09925618    -15.96148274
  O     17.28297344     11.42964351    -11.19798656
  H     21.20427686      8.77124373    -11.06026024
  H     14.29758018      8.07634773    -14.96429346
  O     11.84568523      7.86459335    -13.33232789
  H     20.14853151      9.57747677    -11.85479285
  H     15.50557816      9.55594702    -13.26517917
  O     16.46757179      6.99555633    -11.53888725
  H     17.03831188     12.34348046    -11.01431790
  H     14.93097454     10.99878386    -13.40480664
  O     13.74899688      7.37921992    -11.21768477
  H     16.63656241     11.08801242    -11.83489899
  H     14.48285720     11.24739047    -15.97890184
  O     18.93407069      6.89246690    -12.99629229
  H     12.37991058      8.05547496    -14.12371231
  H     14.41278880     11.05755146    -17.51103252
  O     14.26730986     12.25816712    -14.57220203
  H     11.17928990      7.23638428    -13.59822304
  H     16.37896958      9.09803947     -8.88870718
  O     17.80122102      9.00729130    -10.02510435
  H     16.86768547      7.68017935    -10.98687533
  H     15.39913304      8.52881416     -7.84986209
  O     17.48809338     10.42199965    -16.13278621
  H     15.51815600      6.99302421    -11.34290504
  H     17.24146460     13.37334662    -14.14526941
  O     18.24811716      7.75738309    -15.47007763
  H     13.11672796      7.41764818    -11.94571438
  H     16.46632719     13.94252147    -12.92516753
  O     18.73946552     12.46161336    -14.88916676
  H     13.69610515      8.24403686    -10.79684875
  H     15.38149490     13.74433713    -10.90486030
  O     13.48620368      8.34835281    -15.42007888
  H     18.13527298      6.72287262    -12.48111314
  H     16.42900040     14.78560632    -10.44022822
  O     15.31337065     10.36892357    -12.78149972
  H     19.48173525      7.47550913    -12.45504336
  H     13.78380504     12.12761496    -10.49844344
  O     14.66678048     10.62127484    -16.70135226
  H     14.98448658     12.87978620    -14.36642184
  H     13.17251442     13.10886416    -11.51496815
  O     15.50680192      9.23171333     -8.48672502
  H     13.46857688     12.53668547    -14.10872669
  H     19.50134034     11.51309406    -13.42641479
  O     16.40386281     13.76786052    -13.87152202
  H     17.60574691      9.89677291    -10.36046696
  H     18.87506606     11.26451886    -12.05652360
  O     16.30422843     14.03747778    -11.01725639
  H     18.70273485      8.81728360    -10.30862375
  H     11.55189659      9.52995132    -12.53273150
  O     13.80055041     13.04881446    -10.78530040
  H     17.77710775      9.52075942    -15.94509317
  H     12.20243752     10.28735123    -11.36088051
  O     19.66067815     11.06849347    -12.58698640
  H     16.55075451     10.38592975    -16.35464020
  H     14.37338099     10.21725583    -11.24863435
  O     11.53727720     10.36978084    -12.05703833
  H     18.59048739      7.45771830    -14.60874576
  H     14.40057624      9.94221377     -9.69773206
  O     13.83543838     10.20002610    -10.44023878
  H     18.49109629      7.08891549    -16.10574451
  H     16.62159180      7.86345659    -14.60646308
  O     15.83205879      7.94407263    -14.05909115
  H     18.28822012     11.73198071    -15.35148976
  H     16.03188920      7.53452502    -13.20607611
          69
 Energy    -248.25480098832821     
  O     17.82534882     11.26527620    -13.44965266
  H     17.06455574     11.85724270    -13.46496745
  H     15.37446935     12.24796943    -10.08540559
  O     14.73832013      6.32048245    -11.78912946
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  O     11.87078080      9.14222385    -13.90306710
  H     13.78530887      6.34220251    -11.93871175
  H     14.40476395      9.47327453    -11.36458811
  O     13.11446454     10.19915283    -10.34563784
  H     15.15130376      6.15393782    -12.64896815
  H     18.14253991     10.01950711    -14.59827211
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  H     12.67202445      9.66045854    -14.05035268
  H     19.05986349      9.50035633    -15.73102271
  O     13.96185849      7.20330884    -17.49503633
  H     11.66081423      8.68131156    -14.72948052
  H     11.67695508      5.51687491    -13.78037136
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  H     13.52460601      9.78975051     -9.56488406
  H     10.89121653      4.34032423    -14.39863845
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  H     12.25794665      9.79524646    -10.51452424
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  H     18.40982231      7.78668657    -13.98745219
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  H      9.83466554      9.39570898    -11.32218618
  O     16.14268935      6.98387388     -9.43710630
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  H     11.39073630      6.62328495    -15.69944638
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  H     12.29696144      7.44946298    -16.62978918
  O     18.31704033      7.03702888    -13.38821109
  H     14.62684804     11.28152839    -14.07560967
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  H     13.20388496      4.75473800    -15.49660699
  H     17.30943962     11.74588164     -8.34625261
  O     12.04309316      6.74987220    -12.48066672
  H     14.00630801      5.49830759    -16.58047235
  H     15.16470535      9.23374814    -15.33480367
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  H     16.59761652      8.79061814    -15.72852469
  O     16.61238315     11.39352478     -8.89338736
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  H     15.30179525     13.74115053    -13.57238129
  O     15.66437151      8.55718514    -15.81433940
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  H     18.06310290      9.12786085    -10.85233391
          69
 Energy    -248.25479567178235     
  O     -3.44566530     -1.46002702     -1.33787899
  H     -3.72338143     -2.29567025     -1.70200107
  H     -5.23415190      5.42873291      0.42303712
  O     -4.20980095      2.70512932     -1.61821045
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  H     -2.28844699      0.66866972     -3.27826027
  O     -2.28456958      1.55062481      1.26581751
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  O     -4.24205595      2.13075009      4.57573540
  H     -4.62392986      3.38122457     -1.07092424
  H      0.90112467      4.45653411     -0.29908537
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  H     -3.14922085      1.25373002      0.94743314
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  H      2.57495102      1.24751729     -1.71350221
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  H     -4.89769478      2.13911821      5.26787212
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  H     -2.95798042      3.55523170      4.34848687
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  H     -4.00887530      4.54935323      0.76306370
  H     -2.30006142      4.42349429      2.35908405
          69
 Energy    -248.25476894368967     
  O      1.72774640     -0.62787548      2.78244346
  H      2.64472339     -0.72860761      3.02497356
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  O     -3.75061743     -0.14796190     -1.76982023
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  H     -0.99414213      3.63934244      1.17054710
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  H     -2.96838739      0.98552227      1.28218514
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  H     -1.42694334      0.68284555      2.94634733
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  H     -4.79432326     -3.87283372      4.32833328
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  H     -1.19792095     -4.78475317      3.44047008
  O      0.62969458     -1.12968900      0.19872617
  H     -5.70399505      1.14251492      3.36818721
  H     -1.51108361     -3.38718474      2.84926413
  O     -1.09533773      2.58986190      5.50127065
  H     -6.46154392      1.68794150      4.60540231
  H     -1.78245659     -1.37898734      2.01864415
  O     -0.69196571      1.17007299     -0.74212855
  H     -4.06624715     -1.44261712      4.59845237
  H     -0.71096419     -1.96052837      1.06980691
  O     -1.60866027     -3.94746712      3.64178132
  H     -4.48922409      0.05744794      4.77935794
  H     -4.85492515     -2.54959182      2.17168901
  O     -1.47710652     -2.20082118      1.60740287
  H     -3.23527492      4.91439524      1.29768997
  H     -4.63497679     -2.41044752      0.64459545
  O     -5.17786609     -2.10392575      1.38096291
  H     -3.05076014      3.82341366      2.38112423
  H     -5.61803498     -0.37638761      1.60432014
  O     -5.70961672      0.57703952      1.75526657
  H     -2.22437015     -0.37545145      5.87467548
  H     -5.03934983      0.99208319      1.20381408
          69
 Energy    -248.25472154134243     
  O     11.21370860      9.07228733    -12.29474775
  H     11.70446156      9.59721593    -12.92714681
  H     16.93666181      7.61387030    -10.28751200
  O     17.16821213      9.44356053    -10.30908621
  H     11.05620825      8.21824119    -12.72450359
  H     13.58361162      3.18826732    -14.34389392
  O     15.50079435      5.71423452    -14.87867496
  H     16.24506640      9.75321572    -10.35552544
  H     14.13414287      3.58492736    -12.94756263
  O     16.71283512      2.15950252    -12.87113538
  H     17.64273231     10.06780613     -9.76742977
  H     14.11578520      8.05877160    -13.17593997
  O     17.18337431      9.12263035    -13.17455615
  H     15.17804396      4.84667144    -14.59544564
  H     14.46200224      6.64215288    -13.73330919
  O     14.53045740      9.78400424    -13.40452264
  H     16.28698618      5.91388343    -14.35140293
  H     11.85382658      8.82428921    -10.66206570
  O     14.59301578     10.18605408    -10.64017678
  H     16.41172293      2.04969887    -11.96067314
  H     11.66462689      8.90187558     -9.13072471
  O     11.88461534      3.06816410    -15.11337186
  H     15.94538894      2.48816625    -13.35774229
  H     13.56308233     10.20136332    -16.71549987
  O     15.81428180      2.33556892    -10.14375771
  H     17.33333732      9.29892028    -12.23724775
  H     13.56732329      8.75369712    -16.19844190
  O     18.85218328      3.83110199    -12.72717760
  H     17.42239663      8.19672646    -13.30569812
  H     12.93945712      6.49926871    -16.50765408
  O     17.81514521      4.15612139    -10.05954743
  H     14.20000021      9.85886327    -14.31078475
  H     14.43631146      6.56847393    -16.13608747
  O     16.70773645      6.68611062    -10.42545983
  H     15.48791214      9.62466547    -13.44266926
  H     17.19901696      6.41672138    -12.19066610
  O     14.39260766      3.39385760    -13.86146573
  H     14.48251185     10.16374478    -11.60180588
  H     18.09902795      5.50475143    -13.05202988
  O     13.91609415      7.11641334    -13.09460448
  H     13.83074265      9.72995596    -10.26751714
  H     10.52180586      5.96765066    -16.54406942
  O     12.29635186      8.67553790     -9.80837134
  H     11.53856439      2.38787980    -15.68614044
  H     11.19191911      6.02876681    -15.15124664
  O     13.46663355      9.68045326    -15.92224615
  H     11.66382797      3.91927672    -15.52364971
  H     13.36032382      7.12956602    -10.06298428
  O     13.73268891      7.03576399    -16.60761274
  H     15.89446332      1.71307309     -9.42624807
  H     13.95957830      6.68381514    -11.41147043
  O     17.53658751      6.28838762    -13.08877819
  H     16.52976889      2.98772642    -10.03186839
  H     12.21281320      6.74426862    -13.36441067
  O     11.25212196      5.62433208    -16.03480598
  H     18.11954797      3.20140700    -12.85280246
  H     11.10620657      5.70496971    -13.01238087
  O     13.93610695      6.46902580    -10.46374792
  H     19.63807949      3.41032816    -13.06467231
  H     11.28327617      3.51415449    -13.26965368
  O     11.26903773      6.54335119    -13.46975198
  H     18.32154202      4.05681997    -10.87462654
  H     11.91613046      3.83934137    -11.90314030
  O     11.13236414      3.99503133    -12.44786855
  H     17.48469683      5.06562817    -10.06233041
  H     13.73820482      4.69987716    -10.83137845
  O     13.65978065      3.80598335    -11.19313559
  H     15.74786579      6.61326390    -10.33508176
  H     14.32616626      3.26111380    -10.75593913
          69
 Energy    -248.25470136282888     
  O     12.88514185     11.39983727    -15.20064357
  H     13.62667661     11.94981885    -15.47676225
  H     19.74996090      8.01612019    -13.20134066
  O     16.06275172      7.06117450    -12.56214262
  H     13.08696219     10.50776926    -15.51720191
  H     15.93250319     10.00005073    -17.82582553
  O     18.71758380     11.42945515    -12.54072289
  H     16.50238328      6.43477003    -13.15013996
  H     17.16307879     10.42613435    -17.01897466
  O     18.21315642      9.41227210    -15.87461253
  H     16.72574602      7.37158668    -11.92800605
  H     15.13335427      9.06453357    -14.87142240
  O     11.88256381      7.10483675    -14.84881987
  H     17.83207139     11.64914344    -12.85879930
  H     15.97261207      8.43724848    -13.71649789
  O     15.82570900     10.72101867     -9.10762292
  H     18.63116632     11.24487452    -11.59748223
  H     11.11388816     11.92336142    -12.66322248
  O     14.01774550      8.21613588    -11.12226016
  H     17.43331175      9.32225258    -15.30305686
  H     12.18132664     11.36276891    -13.63442479
  O     16.08700343     11.74376501    -13.45172194
  H     18.97320735      9.52308866    -15.29370931
  H     18.11542651      8.87938161    -10.40268700
  O     17.30855759      6.94987693    -16.79980714
  H     11.16652257      6.48983603    -14.97974691
  H     17.14865169      7.79871653     -9.89909040
  O     15.52484158      7.86113288     -8.86764525
  H     11.70423001      7.54822604    -14.00172762
  H     11.53042498      9.40953500    -12.57041621
  O     17.74448262      5.60542669    -14.27411543
  H     15.66164235      9.80164553     -8.86577978
  H     12.31335318      8.25021817    -11.93104663
  O     19.42326981      7.18589752    -12.83133275
  H     15.23399111     10.91761199     -9.84756695
  H     19.70666674     10.34836299    -13.42093161
  O     16.39080688     10.77600933    -17.48560079
  H     14.60912030      7.72934091    -11.71469527
  H     21.09764020     10.03832185    -14.02796618
  O     15.92619478      9.18029170    -14.32904429
  H     14.15508850      9.16162954    -11.28468330
  H     18.97504583     10.94631752     -9.13744614
  O     11.82881475     11.29629730    -12.72763194
  H     16.03582063     10.81432329    -13.73083968
  H     17.49735494     10.77439766     -9.56205263
  O     17.82365614      7.97323879    -10.56765721
  H     15.84651868     12.25814162    -14.23073863
  H     15.15151360      7.77495390    -18.98962694
  O     11.54948019      8.44835793    -12.48803948
  H     17.37881224      6.40335886    -16.00982556
  H     15.96503479      7.65068296    -17.68112540
  O     20.21942276      9.68433218    -13.91803296
  H     17.78133718      7.76680835    -16.58323337
  H     13.41821595     11.17193209    -11.79068387
  O     18.41853335     10.65231290     -9.85380066
  H     14.89033683      7.91491603     -9.60343054
  H     14.92735335     11.33272152    -12.10410633
  O     15.26075237      8.15773614    -18.12351389
  H     15.13098155      7.29866386     -8.20600524
  H     15.66588824     12.06447531    -16.54441095
  O     14.30321942     10.98566814    -11.45162315
  H     18.04241674      4.70005998    -14.23493895
  H     15.38373310     13.57880645    -16.43481828
  O     15.28183395     12.75193422    -15.97133257
  H     18.41931104      6.14034430    -13.81725996
  H     14.10503678      8.54140089    -16.73782016
  O     13.69682188      8.83895286    -15.91586106
  H     19.03995392      7.40247609    -11.97303939
  H     13.06740128      8.16671229    -15.61535184
          69
 Ord_Energy   -248.254654    
 O    4.57933331       2.32843399       10.6848516    
 H    5.00984430       2.06741571       9.85373688    
 H    4.93403912       3.19068265       10.9244022    
 O    5.70994616       4.88766479       10.8999453    
 H    6.60761213       4.58579969       10.6858883    
 H    5.79542398       5.53667021       11.5942554    
 O    3.11269164       1.49331927       6.92980957    
 H    2.80418444      0.618370175       6.65280771    
 H    3.95949769       1.37973154       7.38557386    
 O    7.65624809      -2.57221818       7.59087849    
 H    8.21505260      -3.30662465       7.35343981    
 H    7.35637236      -2.72772431       8.50532532    
 O    4.13094759     -0.230743974       11.4657125    
 H    4.28630161      0.709605277       11.2814932    
 H    4.17075491     -0.698941946       10.6173992    
 O    8.21808624       3.84407592       10.3374462    
 H    8.16272449       2.88251853       10.4899998    
 H    9.06206989       4.12404156       10.6837034    
 O    1.44368362      0.192441553       10.3822107    
 H    1.51318610       1.08856595       10.0303955    
 H    2.20928001       6.81162179E-02   10.9550333    
 O    1.46102452      -1.95788336       8.71863365    
 H    1.35121489      -1.17434299       9.28674793    
 H   0.768826365      -2.56868172       8.95599842    
 O    7.98663568      0.182027563       8.07062912    
 H    8.36068249      0.631887972       7.30193281    
 H    7.93532276     -0.758818090       7.86385679    
 O    2.46689153      -1.06206071       6.19556665    
 H    2.04384875      -1.45538986       6.96933746    
 H    3.38111019      -1.37720191       6.18432903    
 O    8.73525906       1.73217142       5.87556744    
 H    8.64403915       2.54548001       6.40445995    
 H    9.49781513       1.85110080       5.31619072    
 O    4.22613478      -1.71495426       9.10828686    
 H    3.29510236      -1.94137287       8.99185181    
 H    4.57165861      -1.49880767       8.23152733    
 O    2.18913746       2.74138260       9.26224041    
 H    2.97517347       2.60865211       9.81286430    
 H    2.38555503       2.34291172       8.40103054    
 O    5.26565886      -1.44003630       6.52176237    
 H    6.05036259      -1.95701098       6.73531151    
 H    5.56806517     -0.695846736       5.97866201    
 O    3.86298990       5.05508900       8.65963745    
 H    3.15418243       4.43084908       8.85638523    
 H    4.41777182       5.09808159       9.44795132    
 O    5.64940882       4.09750175       6.81987095    
 H    4.99266291       4.52075911       7.39368916    
 H    5.19589710       3.80128717       6.02195072    
 O    6.72903872     -0.814319313       12.1875858    
 H    6.81941891      -1.03441501       13.1116467    
 H    5.78792000     -0.622129977       12.0399427    
 O    8.30747318       3.89434505       7.43266726    
 H    7.40375042       4.12629461       7.16808033    
 H    8.31244850       3.89460039       8.39528847    
 O    6.18310881      0.683690667       5.01572132    
 H    7.03652620       1.08586848       5.21452284    
 H    5.57677174       1.40636837       4.81688547    
 O    5.57775021       1.65794492       8.24077320    
 H    5.73002243       2.47884750       7.75236464    
 H    6.35378838       1.09563482       8.13626957    
 O    8.12391281       1.17912030       10.6612873    
 H    7.68467522      0.540004015       11.2323828    
 H    8.15935040      0.778539300       9.78092289    
 O    6.61738110      -2.76919127       10.0710812    
 H    5.71530199      -2.54389358       9.79915524    
 H    6.81186008      -2.19097328       10.8168297    
 O    4.22166824       2.78728509       4.79312658    
 H    3.61533117       2.97727680       4.08231974    
 H    3.70487976       2.35628891       5.49659538    
          69
 Energy    -248.25447758652768     
  O     15.61297832     11.12838399    -16.40852189
  H     14.88265149     11.31818716    -15.80813910
  H     16.54448208      7.47123003    -12.08738131
  O     15.57487253      5.37016049    -13.65274673
  H     16.39623508     11.61647772    -16.10715592
  H     19.29345340     10.23404746    -17.70224614
  O     18.79065012     11.95118967    -10.19083848
  H     15.88163025      5.55256881    -14.55171513
  H     20.56285804     11.10102912    -17.51777315
  O     19.32664773      8.50180207    -15.42952695
  H     16.26758367      5.66520018    -13.05053467
  H     16.14369545      8.74266838    -14.27282972
  O     14.12992341      7.69151490    -17.44088756
  H     19.31914630     12.60365798     -9.74036533
  H     16.24779404      9.58587467    -15.57971029
  O     17.38295434      8.09021310     -9.19834322
  H     19.24256559     11.09441564    -10.08151797
  H     12.74310220     11.85441721    -14.60751830
  O     15.30329048      8.53711460    -12.68472504
  H     19.64783890      9.28002520    -15.90294527
  H     13.27977743     10.40936842    -14.75291732
  O     17.97882478     11.26054896    -12.80573545
  H     18.37430018      8.63958455    -15.28998831
  H     13.27983499      8.43398261    -16.02945978
  O     13.24997845      6.73809521    -13.25460326
  H     14.60594493      8.32410835    -17.99148612
  H     12.89917378      8.05946297    -14.58355743
  O     18.87591376      6.61372249    -17.40145998
  H     14.79045104      7.05717739    -17.13521417
  H     19.77191156      9.16424739    -10.97424566
  O     16.30388882      6.31695745    -16.21621368
  H     17.11528512      7.81359542     -8.32571797
  H     19.08933806      8.90071847     -9.62510162
  O     17.25920743      6.88772974    -11.78212685
  H     16.92929895      8.93420902     -9.37161546
  H     19.44155902      8.54891544    -13.59316836
  O     19.82004663     10.73029644    -17.04903389
  H     14.46990383      8.06290748    -12.79220377
  H     18.58024476      7.99214033    -12.42346737
  O     16.61592811      8.82758653    -15.11159393
  H     15.13024174      9.45125604    -12.42981004
  H     15.77563193     10.83235459    -10.44933848
  O     13.53411113     11.32652759    -14.53619827
  H     18.28438840     11.66392986    -11.98322149
  H     17.10316826     11.14191010     -9.74762622
  O     12.92477159      8.79584753    -15.20406245
  H     18.33542242     10.36178991    -12.80790274
  H     17.39528892      9.31068963    -18.78559422
  O     19.77893797      9.43102761    -10.04354825
  H     14.02149376      6.16622043    -13.41937082
  H     18.44513728      8.23201933    -18.41642927
  O     19.19418299      8.69761015    -12.67263081
  H     12.60746851      6.20528461    -12.79460150
  H     14.64272888     11.40607928    -13.01102194
  O     16.32354764     10.57377717     -9.69874771
  H     19.59637135      6.00780425    -17.55646841
  H     16.13381307     11.32389911    -12.54500475
  O     18.34265850      9.15169352    -18.68722707
  H     19.14459575      7.18477060    -16.66180513
  H     18.63585532     11.76909214    -15.96747700
  O     15.21398937     11.23979986    -12.25075053
  H     16.34405439      7.21166465    -15.84182762
  H     18.02355403     11.92356608    -14.54765705
  O     17.91777733     12.18251892    -15.47312663
  H     17.12427449      6.21033854    -16.71006481
  H     15.56074022     10.33009314    -17.96474115
  O     15.58737934      9.78426275    -18.77046770
  H     17.34688013      7.08289595    -10.84100571
  H     15.16966152     10.29262147    -19.46159657
          69
 Energy    -248.25412862583232     
  O     13.35863817     11.64418002     -8.31744154
  H     13.04325204     11.61083539     -7.41744762
  H     11.37943437     13.76932099    -12.87861833
  O     10.90571388     11.13849407    -14.83073924
  H     12.58019253     11.78885828     -8.88093777
  H     13.36434060     14.50071386    -11.42660309
  O     13.98867604      9.33712945     -9.93454281
  H     10.85704800     11.98383116    -14.35931406
  H     13.30539864     13.11579909    -12.08947675
  O     18.16751070     12.36985295    -13.30984548
  H     11.04777920     11.34703886    -15.76304182
  H     11.44540979     14.24784101    -15.02795166
  O     11.37372507     11.94318268    -10.17533693
  H     13.15258676      9.25394595    -10.41051112
  H     11.80643579     13.68835562    -16.41619787
  O     11.68404682      9.50031372    -11.55795973
  H     13.87340409     10.07002461     -9.31867810
  H     15.18642218     11.83080881    -12.29580490
  O     13.13126514      9.75394081    -13.88326554
  H     17.73638516     12.18149390    -12.45576758
  H     14.05793332     11.13164838    -13.13667517
  O     14.99094217     15.37069706    -11.06025772
  H     19.10240675     12.44756128    -13.13396846
  H     11.38735885     11.97087438    -18.30653284
  O      9.28971641      9.75114979    -13.05960249
  H     11.81780797     12.65098021    -10.66731686
  H     12.57296799     11.80932210    -17.32306905
  O     14.62258400     13.61266727    -15.10211865
  H     11.49794611     11.12226360    -10.67323309
  H     15.47902912      9.01891880    -10.75294866
  O     14.25299841     11.58324111    -17.01198929
  H     10.79031791      9.42088761    -11.91160014
  H     16.78693121      8.19792256    -10.76502765
  O     10.64722294     13.55093997    -13.47220759
  H     12.26581727      9.49933075    -12.33348856
  H     17.39594945     10.63718993    -13.81500836
  O     12.75193681     13.80340477    -11.68437438
  H     13.74147148      9.44858123    -14.56501729
  H     16.78305263      9.46369960    -13.00515915
  O     12.04387719     14.36989206    -15.77689735
  H     12.40522363     10.22584293    -14.31775087
  H     15.40310748      8.39533004    -16.24112775
  O     14.39393258     11.98040575    -12.82350874
  H     15.13328751     16.29834937    -10.89092886
  H     15.83557536      9.38338871    -15.13143371
  O     11.61373598     11.97587763    -17.38102495
  H     15.52909813     15.14803466    -11.84082273
  H     16.37444610     12.19414284    -10.40593332
  O     16.35009729      8.93640344    -11.18144935
  H      9.79310904     10.18151278    -13.77136857
  H     16.65419549     10.74874600    -10.97443182
  O     16.96926864      9.77643896    -13.89880576
  H      8.63984522      9.19423138    -13.48078075
  H      9.61823799     12.20995738    -10.99766666
  O     15.12153281      9.16778191    -15.75862327
  H     14.53080605     13.03974577    -14.32734644
  H      8.88385185     11.39971562    -12.07756275
  O     16.71203048     11.69258630    -11.16252948
  H     13.74994137     13.98393604    -15.30096893
  H     15.83355932     14.51688394    -14.03156994
  O      8.94516707     12.27966453    -11.68697911
  H     14.53059457     12.29872437    -16.42264958
  H     17.10711104     14.02437548    -13.34268853
  O     16.43029410     14.70793518    -13.29377930
  H     14.61466690     10.76751419    -16.64839527
  H     15.29842879     13.98618713     -9.75319771
  O     15.56967087     13.21042190     -9.24639605
  H      9.92073098     13.25311829    -12.90732936
  H     14.77316265     12.78656958     -8.90429790
          69
 Energy    -248.25403206473254     
  O     15.54236661      7.31901916    -13.05141828
  H     15.35150548      7.97365059    -13.74204404
  H     18.46130607      9.14054265    -12.39598539
  O     16.33045608     11.56088777    -11.71874114
  H     16.08649388      7.77170482    -12.39233908
  H     16.94484182     10.80878120    -16.29543131
  O     16.70505029     12.27527279    -15.32545480
  H     17.13603536     11.90841213    -12.11927525
  H     16.43173744      9.81338404    -17.41131820
  O     13.00489087      7.25427930    -16.39363133
  H     15.65391844     11.55668501    -12.41128591
  H     14.22432931      8.52917501    -15.52126304
  O     12.36503518     11.15230566     -9.65132762
  H     17.39740484     12.34341527    -14.65553766
  H     15.59950114      9.26237597    -15.65111503
  O     12.93559881      7.76733361    -12.15952416
  H     15.87194423     12.21622556    -14.84093469
  H     11.50826309     10.22824300    -14.11213537
  O     14.46339467     11.46177008    -13.74888031
  H     13.73858403      6.84132705    -16.86700608
  H     11.07054092      8.88943787    -14.71105836
  O     16.78128550      6.25237305    -15.37679065
  H     12.69699086      8.00779797    -16.91749556
  H     15.89451983      8.17689098     -7.92420827
  O     13.10288910      8.37199621     -9.43333504
  H     11.88410900     11.71998937     -9.05554118
  H     14.78346924      8.46151595     -8.96205886
  O     18.81917692      8.20258577    -15.56596727
  H     13.31227529     11.31838875     -9.49402902
  H     11.91424153      6.95429713    -15.04731139
  O     15.31739486      6.42069814    -17.64917429
  H     12.32914374      7.39944370    -12.81334520
  H     10.66414065      6.27328430    -14.43903024
  O     19.06729130      9.51879875    -13.04610030
  H     13.83102031      7.51598723    -12.42517152
  H     19.42898403     12.67379956    -13.03059943
  O     17.02895196      9.91290604    -16.65672005
  H     13.64915686     11.32317274    -13.24845084
  H     18.86297141     11.23964571    -13.17711154
  O     14.86973032      9.06463025    -15.04903806
  H     14.59671452     10.63511828    -14.23656740
  H     16.72138454      9.79585622    -11.43162131
  O     11.25018204      9.80848854    -14.94228326
  H     16.37242535      6.41373232    -14.51709889
  H     16.65537182      8.69009513    -10.35755398
  O     15.71750545      8.63135646     -8.74322320
  H     17.55870366      6.82501293    -15.40921466
  H     15.35908627     10.53247386     -8.95462381
  O     11.28916701      6.98041133    -14.30190395
  H     12.98248767      8.04464572    -10.33543747
  H     15.52096503     11.58318717    -10.06964509
  O     18.63033757     12.18555178    -13.20986801
  H     12.71758310      9.25639608     -9.42108012
  H     14.18796086      9.47380439    -18.13264683
  O     16.96638649      8.87603865    -11.25195315
  H     19.60776880      8.15511828    -16.10093496
  H     15.13714055      8.25743022    -18.27982686
  O     15.03660457     11.39072155     -9.25447634
  H     18.22327003      8.83969544    -15.99977628
  H     12.18291952     10.82577423    -11.47840116
  O     15.06698934      9.20936231    -18.42803564
  H     15.55600966      5.69515503    -18.21970029
  H     12.53661582      9.57590299    -12.31314265
  O     12.25770033     10.50068429    -12.38368998
  H     15.86044331      6.33448373    -16.84457971
  H     11.75459203     10.15674347    -18.06161858
  O     12.34583146      9.72881821    -17.44731936
  H     18.99068648      8.98948068    -13.84876226
  H     11.98010597      9.89033277    -16.55902510
          69
 Ord_Energy   -248.254028    
 O   -5.95235395       4.98021603       3.36161256    
 H   -5.42598963       4.17051649       3.41331983    
 H   -6.85401869       4.72221994       3.14243746    
 O   -7.62519217       8.13662815       5.75004435    
 H   -6.77401304       7.83031702       5.39714003    
 H   -7.68649721       9.06667423       5.54736185    
 O   -4.40767860       2.74000406       3.92799282    
 H   -3.56911516       3.08594537       4.27340794    
 H   -4.25542450       1.84736061       3.59687328    
 O   -9.13872910       5.73150396       5.27698803    
 H   -8.73613644       6.59668636       5.41285706    
 H   -8.81736088       5.16411877       5.99135351    
 O   -6.03221130       2.44306016       6.10702848    
 H   -5.99324751       1.52502596       6.41672897    
 H   -5.42049503       2.55739331       5.36480713    
 O   -7.92348909       4.12058353       7.24921227    
 H   -8.38272858       3.51633930       7.84527206    
 H   -7.24167204       3.59106112       6.81226206    
 O   -6.79047394     -0.453527689       3.60980392    
 H   -7.32832336      0.346345007       3.67827058    
 H   -7.11304140      -1.03493834       4.30863285    
 O   -5.25145531       6.76221466       5.25692081    
 H   -5.50387526       6.13259935       4.56050825    
 H   -5.59819794       6.44110346       6.10046768    
 O   -9.37261200      0.447992742       6.45600319    
 H   -9.14167309       1.01158488       5.70488262    
 H   -9.27298737      0.984906495       7.25042486    
 O   -7.83454084      -1.71949077       5.94576263    
 H   -8.46664429      -1.00753665       6.15618849    
 H   -8.26672649      -2.54408002       6.14854956    
 O   -4.29692650       2.97471619       8.34839344    
 H   -4.13804913       3.91967154       8.49508953    
 H   -4.88066578       2.89745212       7.58411217    
 O   -8.71490192       4.30067444       3.03055382    
 H   -8.93920231       4.84943581       3.80429673    
 H   -9.31635761       4.54394150       2.33235145    
 O   -8.90236092       2.03739810       8.82331944    
 H   -9.45787621       1.98086023       9.59614372    
 H   -8.00661945       1.77118623       9.10021496    
 O   -2.64071250       6.39377260       6.04266262    
 H   -2.07067132       7.12822676       5.82787800    
 H   -3.51129079       6.59564018       5.66078138    
 O   -8.19619465       1.88227129       4.32859659    
 H   -8.43808270       2.66487217       3.81849766    
 H   -7.45816898       2.13719296       4.89682388    
 O   -2.02759695       1.85675776       7.28991795    
 H   -1.36261952       1.68766153       7.95289421    
 H   -2.80097318       2.21705818       7.75631046    
 O   -3.35246468     -0.354181468       6.00709438    
 H   -3.48007345     -0.216191277       5.06042624    
 H   -2.80856061      0.371859729       6.33537531    
 O   -2.18913007       3.70817518       5.13962173    
 H   -2.00616884       3.12738585       5.88891315    
 H   -2.26215577       4.60544109       5.48577118    
 O   -6.35878134       1.30922329       9.40145302    
 H   -6.17652369      0.648994982       8.71602821    
 H   -5.63127089       1.93835533       9.33160305    
 O   -6.50331926       6.42145300       7.78630447    
 H   -7.03696680       5.61546469       7.71962976    
 H   -7.02806711       7.13390827       7.40641499    
 O   -4.14760303       3.83745208E-02   3.28041816    
 H   -3.82542467     -0.416440517       2.50700045    
 H   -5.09172297     -0.186939657       3.36730242    
 O   -5.82580900     -0.137799829       7.10431051    
 H   -4.93819809     -0.334645569       6.76797438    
 H   -6.44335890     -0.779977620       6.73697615    
 O   -3.90284348       5.66503763       8.52330494    
 H   -4.78613710       6.04280472       8.41079807    
 H   -3.37744927       5.96531916       7.77207851    
          69
 Energy    -248.25364887138909     
  O     -7.14449116     -2.11186430      6.17366038
  H     -6.24604544     -1.77032756      6.22864707
  H     -6.89828693     -0.40497197      3.39065170
  O     -9.88583072     -2.05065551      2.61776280
  H     -7.72814671     -1.42198674      6.52188839
  H     -4.26125288     -1.04471333      5.20244134
  O     -7.99675380     -3.60429538      4.10952357
  H    -10.08646149     -1.33624105      3.23711743
  H     -3.77581289     -1.31545100      6.64824145
  O     -6.14189461      0.96468938     -0.04168616
  H     -9.36478511     -2.68591911      3.12431554
  H     -1.34112988      2.93678331     -0.01843251
  O     -5.55962576      1.56004441      5.64794317
  H     -7.72441153     -3.09905619      4.89817280
  H     -2.45174209      3.58830168      0.84372864
  O     -5.47439356      5.55539850      0.42050710
  H     -8.02151709     -4.52182212      4.36557084
  H     -9.34869845      3.52859239      4.25001375
  O     -8.83903143     -0.04841571      6.93573795
  H     -6.58292713      0.12565019     -0.19805052
  H     -7.97105380      4.18244934      4.05366327
  O     -4.01620050     -1.11892620      3.49365823
  H     -6.76483922      1.46689043      0.50442737
  H    -11.19124840      2.90832107      2.40950871
  O     -4.80709723      3.31200366     -0.97476871
  H     -6.23604525      1.88697299      6.25484780
  H     -9.72630359      2.41630957      2.38322424
  O     -9.95194694      0.17121278      4.35877182
  H     -5.18533083      0.73933480      5.99392902
  H     -7.02119849     -1.67955278      1.75420280
  O     -3.86264515      1.02265165      1.65176688
  H     -5.28681070      4.77902799     -0.13703108
  H     -6.92397468     -2.63781518      2.97473100
  O     -7.25202367      0.43860440      3.69802265
  H     -5.59798741      6.29454072     -0.16884407
  H     -8.51928165      0.05721327      0.82897422
  O     -4.50325785     -0.96205932      6.14364194
  H     -9.42510749     -0.01032623      6.16807478
  H     -8.96001772     -1.34829471      1.25444003
  O     -2.25592666      2.85288086      0.23530544
  H     -8.51247351      0.85079388      7.05306705
  H     -7.85733075      3.21714418      7.73630839
  O     -8.58986848      3.87898259      4.73004895
  H     -3.80201533     -0.39036683      2.89858619
  H     -8.07679201      3.09429128      6.21073043
  O    -10.48020915      2.59958072      2.96604705
  H     -4.77471294     -1.56140992      3.08656677
  H     -3.53272726      4.27335530      2.63888162
  O     -6.43802700     -1.97420407      2.46584897
  H     -5.28593073      2.48524834     -0.84120150
  H     -3.85834727      5.22637577      1.47413898
  O     -8.32917118     -0.87333343      0.68662074
  H     -3.89228316      3.12944519     -0.72416350
  H     -4.34444182      2.26979692      2.90138667
  O     -7.75193916      2.62254228      6.99816249
  H    -10.32116111      0.97789305      3.98307648
  H     -4.82827656      2.55618696      4.34820854
  O     -3.12711012      4.79236638      1.93005548
  H     -8.99384516      0.22172207      4.21141332
  H     -7.76698385      1.45857741      2.39832832
  O     -4.58026262      2.97931563      3.51534991
  H     -3.20232614      1.52317078      1.15567026
  H     -7.67225655      2.91600693      1.88056570
  O     -8.05613287      2.04878058      1.68061587
  H     -4.62065547      0.90516434      1.06442343
  H     -6.02471299      3.86238025      2.94069717
  O     -6.79252806      4.31580702      2.55848557
  H     -6.65661878      0.79400438      4.36783006
  H     -6.45233103      4.87186584      1.84723196
          69
 Ord_Energy   -248.253433    
 O   0.564344049       2.90119815       11.0422783    
 H   0.864782274       1.98709691       11.1814003    
 H   -3.36465389E-02   3.10025740       11.7593079    
 O    6.70058775       1.98501039       8.03714085    
 H    6.26149559       1.14697921       7.81622028    
 H    7.64008474       1.82245207       7.99171448    
 O    5.04604435       3.60829329       6.31768084    
 H    5.70108652       3.12190819       6.83164740    
 H    4.94830561       3.15097594       5.47349215    
 O    4.43605185      -2.72417140       10.9799938    
 H    4.86166048      -3.26891184       11.6366940    
 H    4.49238491      -1.80558801       11.2993231    
 O    4.30870867     -0.389258862       4.81003428    
 H    3.34142208     -0.437360793       4.84820223    
 H    4.62473154     -0.280679077       5.71910048    
 O    3.18562436       4.08649492       10.5507603    
 H    2.32295966       3.77939415       10.8524828    
 H    3.07516384       4.22416353       9.59868336    
 O    1.51632261     -0.513613582       4.95976400    
 H    1.24759138     -0.268762767       5.85863876    
 H    1.35322189      -1.46056211       4.87965012    
 O    4.35971594     -0.153736383       11.8303699    
 H    4.80325699      0.633927941       11.4898634    
 H    3.41741228       5.59267402E-02   11.8161993    
 O    4.18860340      -2.67484474       8.19831753    
 H    4.38164759      -2.78245568       9.13860321    
 H    3.22355103      -2.66202068       8.11922073    
 O    1.56319642      -2.34180665       10.7418013    
 H    2.47825480      -2.60474062       10.8968000    
 H    1.36903262      -2.59370756       9.82990170    
 O    1.39037812      -2.62409472       7.92693090    
 H    1.12302852      -1.69473886       7.86161470    
 H    1.26530671      -3.00251150       7.04923487    
 O    1.66483915       2.26316190       4.42522717    
 H    1.50182319       1.31202614       4.46042728    
 H    2.59664989       2.36352491       4.19993496    
 O  -0.490319043       2.24652982       8.39122868    
 H  -0.247725144       2.88949132       7.71286345    
 H  -0.181614399       2.59311819       9.23633194    
 O    2.78726935       3.86965895       7.80303192    
 H    2.00415707       4.00007534       7.25709343    
 H    3.56978106       3.88414645       7.23008299    
 O   0.469024837       3.89080501       6.24035072    
 H   -6.24726014E-03   4.57570457       5.77748823    
 H   0.853205740       3.30840874       5.56079817    
 O    5.13847160       2.15681911       10.4756584    
 H    5.76090622       2.31183815       9.75729084    
 H    4.57989454       2.94348764       10.5894012    
 O   0.937320828       7.70956576E-02   7.58803129    
 H   0.265746146      0.724585295       7.84725714    
 H    1.76863289      0.430070281       7.92954540    
 O    1.43079782      -3.35152268       5.16935635    
 H    1.12352407      -4.09340668       4.65563774    
 H    2.40322685      -3.40365410       5.18935156    
 O    1.65980911      0.386964738       11.0677919    
 H    1.47646904     -0.562847435       11.0103931    
 H    2.08282113      0.631792486       10.2349920    
 O    5.05214310     -0.162302315       7.47365999    
 H    4.34120417      0.373235285       7.85427904    
 H    4.87744761      -1.07160378       7.75371170    
 O    4.14224529      -3.21461606       5.40161180    
 H    4.37564754      -2.34639549       5.05113792    
 H    4.32129908      -3.17548394       6.35066891    
 O    4.50831127       2.19118023       3.90325403    
 H    4.89919901       2.26798701       3.03625584    
 H    4.52387619       1.24776852       4.13559294    
 O    3.12121081       1.31935382       8.76507664    
 H    3.79565716       1.49188769       9.43789387    
 H    2.89651442       2.18471742       8.39034557    
          69
 Energy    -248.25314779572145     
  O     -7.93296848     -2.06181950      5.77205457
  H     -7.00308399     -1.91878797      5.97595192
  H     -7.01811817     -1.86772527     -1.23227303
  O    -10.38466878     -1.14159778      2.28299521
  H     -8.40655145     -1.25056391      6.00793817
  H     -2.72573808      1.08309780      1.63378842
  O     -8.86907776     -3.21741164      3.54905327
  H    -10.28635686     -0.37770366      2.86243262
  H     -4.16658474      0.52908902      1.53277824
  O     -5.77739289      0.81302234      0.73330391
  H     -9.93300013     -1.87258095      2.72251950
  H     -6.54718410      0.58683704      4.04021731
  O     -5.71498777      1.13250068      5.63210005
  H     -8.56018348     -2.83894621      4.39386990
  H     -6.88019350     -0.55908653      3.02732248
  O     -5.19319162      5.33404506      0.67365127
  H     -9.23552284     -4.07441477      3.74822102
  H     -4.73873852     -1.62628253      5.31488375
  O     -8.97898418      2.71166004      1.15607676
  H     -6.11069282      0.05925804      0.23091798
  H     -4.57824622     -2.00298183      6.80846786
  O     -9.28056086      0.32171569      6.22523837
  H     -6.26950450      0.82788323      1.56578806
  H     -1.01912807      2.73059107      0.50526778
  O     -4.20195246     -1.69533962      3.67768770
  H     -6.33468290      1.55644318      6.23844729
  H     -2.19064690      3.30368134      1.33774129
  O     -4.49007579      2.99080640     -0.47797140
  H     -5.48624740      0.26160218      5.98105738
  H     -8.91948567      2.94554897      4.39276396
  O     -9.55417863      1.32945577      3.53982373
  H     -4.96576878      4.52553850      0.17716318
  H     -7.77502135      3.88283071      3.99891628
  O     -6.99985117     -1.45059643     -0.37611071
  H     -5.24631500      6.04340602      0.03967322
  H     -6.71887032     -2.10044101      1.35605470
  O     -3.37016767      0.52377120      2.08493189
  H     -8.15644196      3.04437216      1.54991225
  H     -7.35346223     -2.69807782      2.65164427
  O     -7.01922784      0.37661198      3.22472040
  H     -9.37495706      3.44742171      0.69440022
  H     -9.08106534      0.93019087      0.34661556
  O     -5.13243378     -1.52106327      6.20097030
  H     -9.58017682      0.66967026      5.37730604
  H     -9.68185415     -0.43195697      0.78048795
  O     -1.92180042      2.56479595      0.76283054
  H     -8.80510478      1.04507655      6.65080728
  H     -7.71868429      3.11592512      7.82683098
  O     -8.37164796      3.66676446      4.72639464
  H     -3.78604517     -0.98441775      3.17507063
  H     -7.89831745      3.05164612      6.28943524
  O     -6.57452973     -2.24726589      2.29937245
  H     -4.94232782     -2.01283623      3.14190177
  H     -3.45476543      3.95523591      2.96774678
  O     -9.18601690      0.01225012      0.07538715
  H     -5.02005063      2.26066046     -0.12880990
  H     -3.65586408      4.98139557      1.84032102
  O     -7.65755585      2.53073037      7.07714067
  H     -3.57872445      2.80069626     -0.22442280
  H     -4.07408013      1.85858755      3.16295192
  O     -2.97514636      4.52304481      2.34701447
  H     -9.65417311      1.83115570      2.72123956
  H     -4.82966156      2.17284742      4.47225362
  O     -4.49131923      2.57441182      3.66080605
  H     -8.66614440      0.93547904      3.47431626
  H     -5.99215698      3.28797694      2.83956104
  O     -6.71565460      3.77802658      2.42405467
  H     -7.83379496     -0.95151299     -0.28196427
  H     -6.29604269      4.43704494      1.85668206
          69
 Energy    -248.25310545963544     
  O     13.39474431     10.85385494    -15.21509425
  H     13.29429170     10.23338609    -14.46738109
  H     18.29313234     11.31397132    -16.98825481
  O     16.85358370      5.71027890    -14.46725327
  H     12.63995728     11.43461328    -15.19786280
  H     15.89439122      8.43332619    -15.69537919
  O     18.38803551      9.05008060    -12.00953529
  H     16.80174545      6.67264265    -14.57015660
  H     17.45356236      8.45025554    -15.52806809
  O     19.93987819     11.01085521    -16.10330585
  H     16.60338507      5.33466945    -15.31979492
  H     14.11175795      9.06401400    -12.68578468
  O     13.68459825      6.21078095    -16.10470125
  H     17.42715568      8.95879887    -12.07921222
  H     13.03271897      8.16482006    -13.32140896
  O     16.10732552      9.05802192     -9.02641220
  H     18.61221740      8.73937049    -11.12516996
  H     16.71501118      5.61655691    -11.01922029
  O     15.24189343      5.90198579    -12.20851279
  H     19.59990483     11.13543403    -15.19797311
  H     18.16949133      5.27142273    -11.38721703
  O     17.46060069      7.11637237    -18.10890915
  H     20.79147344     11.43673018    -16.13813373
  H     11.93884414      5.85846224    -13.51070841
  O     19.14667659      8.30673866    -16.23952351
  H     14.42124076      5.70136499    -16.45967348
  H     13.09714806      6.21369861    -14.47263899
  O     16.10976720      5.01647912    -17.06644595
  H     13.83046068      7.11765996    -16.41053589
  H     18.75465595     10.57821009    -13.02976142
  O     19.90415381      7.44875465    -13.76796221
  H     16.18788099      9.84242411     -8.48834445
  H     17.84635145     11.45203666    -13.91056906
  O     17.35718596     11.32932838    -17.22144504
  H     16.98763343      8.65234038     -9.04164537
  H     19.32097361      4.00053063    -13.34647200
  O     16.61312723      8.40004653    -15.04932621
  H     14.33076764      5.94771843    -12.52396221
  H     18.25911225      5.09944259    -13.59306571
  O     13.30485281      9.08369719    -13.21945938
  H     15.77884369      5.74361810    -12.99867106
  H     18.24092497      6.97968181     -9.84109248
  O     17.61389344      5.59652897    -10.66732115
  H     17.02882342      7.89521979    -18.47793606
  H     19.33748457      7.55556449     -8.91303799
  O     12.79151920      6.28310847    -13.54991777
  H     18.16314129      7.45320540    -17.53432672
  H     16.62759121     10.22545760    -18.32424917
  O     18.77118889     11.29675664    -13.67515129
  H     19.48929610      9.20611794    -16.30197812
  H     16.06264143      9.94483637    -19.73773675
  O     19.00473016      4.84019403    -13.02316874
  H     19.49737145      7.93437290    -15.41482188
  H     15.65600320      8.82512488    -10.77379441
  O     18.58588874      7.80144272     -9.44488200
  H     16.19676795      4.27399766    -17.65759453
  H     15.51167549      7.69518541    -11.84057078
  O     16.16383576      9.56392633    -18.86996715
  H     16.58719131      5.75936008    -17.47962823
  H     16.32353115     10.18211890    -14.63436822
  O     15.61728554      8.64955573    -11.72478114
  H     19.39930094      8.01216199    -13.16511921
  H     15.20097754     11.22987393    -14.78237649
  O     16.15304683     11.13603566    -14.66712764
  H     19.76377298      6.54487813    -13.46629952
  H     14.03057434      9.54994306    -16.38964827
  O     14.42966792      8.78237628    -16.81945867
  H     16.88436832     11.37463050    -16.37984723
  H     14.91136696      9.08556070    -17.59947092
          69
 Ord_Energy   -248.253098    
 O   -2.95031762      -3.32107329       3.24745011    
 H   -2.87354279      -3.86135983       4.02905321    
 H   -3.07485104      -3.92978692       2.49515367    
 O   -1.26525521     -0.953538239      -3.72889757    
 H   -1.58855927      -1.85578275      -3.61168599    
 H  -0.447429717     -0.896309733      -3.21851897    
 O   -3.38065743       2.88801169      -1.14571857    
 H   -4.19429970       2.81933856     -0.634658456    
 H   -3.32077694       2.08073497      -1.67679000    
 O   -2.26591873      -3.37270331      -2.63306165    
 H   -1.77444100      -2.95177674      -1.91480887    
 H   -2.16594601      -4.31090641      -2.44326138    
 O   0.459008336      0.225687191       2.48404479    
 H  -0.131037816     -0.514270961       2.25698972    
 H    1.07520080      -9.92902070E-02   3.13470244    
 O   0.620119154       1.07692182     -0.218753099    
 H   0.673633337      0.818766177      0.709467471    
 H    8.30946118E-02   1.87825155     -0.239633784    
 O   -1.31486642      -5.51504040     -0.931507587    
 H  -0.820908189      -4.68855190     -0.789909363    
 H  -0.665796757      -6.20997000      -1.00450790    
 O   -5.80531883     -0.299377322      -3.27505016    
 H   -6.39219999       6.20907508E-02  -3.93350387    
 H   -6.20905304     -0.119409569      -2.40607500    
 O   -5.65463877       2.43308973      0.558085978    
 H   -5.08371782       1.91652203       1.15349340    
 H   -6.08350182       3.09530687       1.09400821    
 O   -5.12089491      -1.40653276       3.09506297    
 H   -4.40738058      -2.04790974       3.18728995    
 H   -4.70578575     -0.560913563       2.87359738    
 O   -3.94664097      0.872587383       1.99072099    
 H   -3.69324899      0.290668637       1.25884974    
 H   -3.15292144       1.35523748       2.26395488    
 O   -3.18698454     -0.884976208      -1.84411295E-02
 H   -3.81108594      -1.62003374      -9.09706205E-02
 H   -3.17133474     -0.417151421     -0.863160968    
 O   -1.25268257      -1.73809028       1.70023549    
 H   -1.75592077      -2.28269053       2.31834030    
 H   -1.89268410      -1.36894965       1.07046032    
 O   -1.00250113       3.38656688       3.91446007E-03
 H  -0.744771242       4.28080845     -0.202463835    
 H   -1.86166203       3.23641944     -0.430150002    
 O   -6.78865480      0.229584008     -0.817460716    
 H   -6.46626091       1.02543259     -0.376491100    
 H   -6.93523407     -0.425409198     -0.124778330    
 O   -3.27943707      -4.82764196       1.05236876    
 H   -3.91763020      -4.27849245      0.571841538    
 H   -2.65926409      -5.16669273      0.398470402    
 O   -7.04384232      -1.75176346       1.22285128    
 H   -7.84333849      -2.09290528       1.61433804    
 H   -6.40584564      -1.62485754       1.94833565    
 O    1.00171649     -0.906115949      -1.98932159    
 H    1.88898265     -0.817853153      -2.32725525    
 H   0.858686149     -0.157593742      -1.38162327    
 O   -4.97384119      -3.03108788     -0.176589906    
 H   -5.77355814      -2.69448566      0.242949024    
 H   -5.12769365      -3.09409380      -1.13131106    
 O   -5.07293558      -3.01984692      -2.89120007    
 H   -4.10957861      -3.08095574      -2.94573545    
 H   -5.31485653      -2.12019229      -3.14429927    
 O  -0.271880925      -2.98328805     -0.597838044    
 H  -0.537277460      -2.60172677      0.248997957    
 H   0.252377242      -2.31842065      -1.06178486    
 O   -3.24656153      0.448351324      -2.45068836    
 H   -4.09848595      0.213328317      -2.84033084    
 H   -2.54703736       4.24475595E-02  -2.98203611    
 O   -1.61112535       2.19593072       2.51661515    
 H   -1.40214694       2.69364309       1.71524894    
 H  -0.875426471       1.58464456       2.64190102    
          69
 Energy    -248.25303969298136     
  O     18.97593530     10.62801760     -7.60089789
  H     19.10066221     11.36854614     -7.01344837
  H     18.46125821      8.91047358     -6.83467474
  O     17.76359681      5.41393039     -9.43780630
  H     19.75597194     10.59911700     -8.18443110
  H     16.52103875      9.70516068     -9.54790110
  O     17.91575364      4.42519447    -12.80608592
  H     17.08080929      5.16862043    -10.07258274
  H     17.84326686     10.34440800     -9.00728035
  O     18.66774907      7.13425435    -13.23018260
  H     18.16918959      6.23698625     -9.75378462
  H     20.94151412     10.65557627    -10.29492374
  O     22.48805879      6.19576118    -11.64734820
  H     17.79657758      3.73405257    -13.45438080
  H     21.31769952      9.51680331     -9.33386123
  O     15.68191301      4.87970386    -11.21339095
  H     17.09074902      4.47111714    -12.29788053
  H     17.07807459      9.61761265    -13.34606072
  O     21.22667631      8.26701287    -13.13412227
  H     18.38709763      6.21230821    -13.19690890
  H     16.24541123      9.30179558    -14.61445548
  O     20.38953763      6.41899923     -7.21877343
  H     17.92775243      7.66684436    -13.54965486
  H     19.64208037      4.34926977    -11.79359002
  O     14.16734045      5.06112728     -8.78021319
  H     21.79630782      5.51270614    -11.59159690
  H     20.36094576      4.12896343    -10.44192320
  O     21.38793404      7.68892107     -9.51041352
  H     23.31585283      5.73874696    -11.76888355
  H     13.32525627      7.28916534    -10.94886701
  O     18.77895815      7.72224238    -10.47951689
  H     15.08973976      4.73560648    -10.46584974
  H     13.12753635      6.47723232     -9.66418522
  O     18.19617444      8.02882048     -6.55344410
  H     15.50463633      5.78364865    -11.52360391
  H     15.47762946      8.00292793     -8.60693935
  O     17.37896465     10.06806677     -9.80784934
  H     21.75119975      7.59597705    -12.68125708
  H     14.19417080      8.39274114     -9.38338536
  O     21.02123291     10.43755825     -9.35904334
  H     20.36938633      7.85551813    -13.30772461
  H     15.58708193      8.01491297    -12.53066513
  O     16.58407363      8.91610581    -13.81153930
  H     20.32517008      5.51532700     -7.54269288
  H     15.31370368      7.94775375    -10.99900452
  O     20.50595160      4.35681655    -11.36968297
  H     20.85993307      6.89765067     -7.91539634
  H     21.40110943     11.37796777    -12.67203456
  O     12.83890496      7.28064982    -10.11568968
  H     13.72711465      4.47048940     -8.17327375
  H     21.01440611      9.88831341    -12.53544873
  O     15.11576512      8.64187311     -9.23716558
  H     14.77547896      5.59933258     -8.24633086
  H     16.71602274      6.13732702     -8.18563817
  O     15.18250343      7.48219725    -11.83636859
  H     21.90869236      7.20540990    -10.16097283
  H     16.73371643      7.16251482     -7.05395548
  O     20.82107992     10.78314197    -12.20325777
  H     20.48122718      7.70967594     -9.85506700
  H     17.72407631     10.62128172    -11.48779342
  O     16.12911871      6.62417316     -7.58842047
  H     18.76458710      7.60781239    -11.43817632
  H     18.95208286     10.80195138    -12.40309028
  O     17.99222511     10.70823081    -12.41416699
  H     18.32802402      8.54837820    -10.26388925
  H     19.59359360      3.12887064     -8.14477765
  O     19.86213062      3.90459327     -8.63098394
  H     18.96687039      7.45883114     -6.69572221
  H     19.04958225      4.39651820     -8.84741670
          69
 Energy    -248.25274842386250     
  O      1.15691981     -0.15873974      2.85147595
  H      1.37952257      0.77312986      2.96666329
  H     -2.87910877     -0.16735819      3.30018478
  O     -3.44867444      0.39820008     -2.85898655
  H      1.42432534     -0.42577513      1.95835555
  H     -2.60980180      0.22665157      5.29050688
  O     -0.09840356     -1.59208883      4.91567975
  H     -2.50279325      0.48354190     -2.65285128
  H     -2.27267023      0.43924475      6.78391142
  O     -4.42000063      0.37761303     -0.19115496
  H     -3.58649461      0.83413183     -3.69636970
  H     -0.33905139      2.78455022      0.48608692
  O     -3.03437654     -2.44444538     -2.32348495
  H      0.47276298     -1.15261171      4.27103600
  H      0.90020404      2.90924059      1.39995611
  O     -0.59222512     -2.13091673     -1.04682789
  H     -0.62493643     -0.89917224      5.33087933
  H     -1.54363848      1.41072667     -0.55890111
  O     -3.08524902      3.11030881      2.52646751
  H     -4.34000058     -0.56654923      0.02028166
  H     -2.92559851      1.39164720      0.10844140
  O     -4.13796947     -2.94401287      4.14782894
  H     -4.28631604      0.45255756     -1.14386654
  H     -1.62708816      0.56752737      1.49729136
  O      1.38144920      2.63544542      3.16618198
  H     -3.52799915     -2.53196434     -1.49557710
  H     -0.59702843     -0.08388029      2.46685651
  O     -0.83257957      0.48037986     -1.93956821
  H     -3.28536049     -1.58461794     -2.67717332
  H     -4.84172543     -2.70935501      0.81928557
  O     -5.36335281      1.34232854      2.23269536
  H     -0.85599042     -2.44313696     -0.16942043
  H     -3.30471513     -2.53870159      0.69846159
  O     -3.64385697     -0.17624032      3.89816240
  H     -1.32938097     -2.36941904     -1.62839812
  H      1.80977371     -0.07241626     -0.37088021
  O     -1.89043934      0.43762132      5.90959342
  H     -3.93019934      2.64617553      2.54537944
  H      1.02651406     -1.38899262     -0.24359866
  O      0.60563000      2.96845905      0.48142496
  H     -2.69835512      2.88295948      1.67352776
  H     -1.77041475      2.88325690      3.79594468
  O     -2.04681228      1.79297218      0.17475127
  H     -4.01520002     -1.98556073      4.12487983
  H     -1.28032903      1.97484197      4.95340861
  O     -1.51655216     -0.11380142      2.16854237
  H     -3.25083169     -3.32134093      4.16635982
  H      1.40790598      2.09891137     -0.79123766
  O     -4.14557404     -2.30905151      0.27976501
  H      2.00361267      3.16326626      3.65892772
  H      2.45053824      1.94840498     -1.92841327
  O      1.64982678     -0.81725864      0.22027621
  H      0.52697688      2.69590960      3.63352330
  H     -0.98574729     -4.57973038      4.38165337
  O     -1.01139504      2.68730016      4.36320467
  H      0.05670783      0.85332080     -1.97683018
  H     -0.91089177     -3.03538955      4.38379229
  O      1.72670370      1.50512444     -1.49524429
  H     -0.74185723     -0.42787482     -1.61178682
  H     -1.54000957     -3.25295565      2.24484488
  O     -1.40103949     -3.79816018      4.02745413
  H     -6.31124901      1.45110862      2.25037256
  H     -1.59459858     -1.80935949      1.69390086
  O     -1.64658317     -2.74260665      1.43452737
  H     -5.14013700      1.01121424      1.34763731
  H     -6.46698065     -4.12031356      2.28733918
  O     -5.88990996     -3.38755868      2.09104840
  H     -4.34134499      0.31154392      3.44689367
  H     -5.30936062     -3.28665159      2.86527028
          69
 Energy    -248.25274266977220     
  O     -3.55607811      4.78984724      2.35713333
  H     -3.46832697      4.35267438      1.49397546
  H      1.16087039      8.18927542     -4.17605423
  O      2.14695518      9.75080880      1.82309322
  H     -4.33095163      4.41815062      2.77248965
  H      1.50139149      2.30152576      2.66043942
  O     -0.03598245      8.80751272     -1.23237476
  H      1.55463327     10.30667746      1.30103168
  H      0.33196191      3.30354868      2.49014881
  O      0.73690784      9.36264049      4.10814005
  H      2.16378762      8.89400906      1.37457175
  H     -0.19368251      6.08979723     -3.69611754
  O     -1.51750493     10.12918805      2.49991479
  H      0.01702859      9.65003324     -0.76493775
  H     -1.37182842      5.06968301     -3.88513259
  O      1.60000864      7.29565853      0.53372314
  H     -0.91494129      8.44495171     -1.04485033
  H     -2.21825872      1.95795328     -2.57717619
  O     -2.35901932      7.51576993     -0.53386156
  H      1.17660275      9.66473880      4.89764557
  H     -3.09847862      3.07309689     -3.19449440
  O     -2.60479329      7.49670858      2.23089337
  H      1.33318401      9.55022804      3.36007715
  H      0.78581729      2.52216636     -2.41803430
  O     -0.92144426      5.20905998     -0.78661986
  H     -2.07494433      9.34370951      2.44311994
  H      0.81419795      3.95105633     -2.97110411
  O     -3.06092603      3.66252308     -0.10216176
  H     -0.85446700      9.93690053      3.17557935
  H     -1.76237526      4.44161746      3.00187750
  O     -1.03048973      1.57360562      0.39015839
  H      1.07245353      7.70758288     -0.16338487
  H     -0.46303470      5.26196835      3.15238475
  O      0.40624180      7.77316853     -3.76632310
  H      1.78288943      6.38205379      0.27558868
  H     -3.59422829      5.19859972     -3.40210600
  O      0.97161128      2.74904559      2.00618633
  H     -1.82724304      6.70539214     -0.60385141
  H     -3.75777576      4.91924272     -4.91450295
  O     -0.48990835      5.18607754     -3.51208436
  H     -2.54811241      7.62887519      0.40665103
  H      1.69415548      4.10167949     -0.88204219
  O     -3.07772384      2.39340397     -2.51067097
  H     -3.06906787      6.65845822      2.33768571
  H      1.56634121      3.91959404      0.66633936
  O      1.33040406      3.31799219     -2.45354182
  H     -1.67429192      7.31016500      2.43119583
  H     -4.06228587      5.10780063     -1.21673612
  O     -0.82022332      4.36243762      3.18333735
  H     -0.80969231      5.16559431     -1.74783861
  H     -3.67942392      6.56904155     -1.47803351
  O     -3.18944277      4.75282278     -4.16722316
  H     -0.06223376      5.00093231     -0.40230852
  H      0.30726060      7.68964594      3.41159098
  O      1.67944843      4.57371411     -0.03392315
  H     -2.27719468      4.20239678     -0.29888678
  H      0.59360312      7.04699035      2.02707129
  O     -4.16713712      5.82268715     -1.85272922
  H     -3.21106257      3.11683142     -0.88978221
  H     -0.66423961      1.21910514     -1.28101512
  O      0.06077262      6.96020892      2.83006956
  H     -1.75213492      2.20960863      0.42689368
  H     -0.35566604      0.21488578     -2.41592650
  O     -0.51578261      1.13873289     -2.24043162
  H     -0.32788069      1.92018635      0.95475187
  H     -0.18369429     11.98142292      0.28488258
  O      0.00207678     11.05881635      0.43771493
  H      0.29043470      8.21231930     -2.90915116
  H     -0.60546423     10.76303827      1.13930766
          69
 Energy    -248.25223891049836     
  O     16.59867293      3.42561557    -15.40898030
  H     16.61045191      2.73946177    -16.07102330
  H     19.13556755      5.56516461    -12.97767879
  O     18.73483849      8.54899957    -10.69021456
  H     16.12613416      3.06439798    -14.63668264
  H     15.81032750      9.51075398    -16.03379769
  O     13.11285545     11.31930019    -11.24038901
  H     18.32283691      8.07665718     -9.95700782
  H     16.78299339     10.53165879    -15.37619349
  O     17.37605760      7.62653153    -14.46349747
  H     18.98606494      7.87331515    -11.33297229
  H     14.08895334      7.97211778    -17.13305988
  O     18.88315386      3.86421584    -13.63245159
  H     13.51588327     11.47622684    -12.10584154
  H     14.55255979      7.32862502    -15.81424566
  O     11.39027954      9.18711482    -12.14837678
  H     12.44160794     10.64457078    -11.39189905
  H     16.16133942      8.41776561    -13.32736232
  O     17.27195458      7.05312990     -8.71103379
  H     16.74531489      6.95227159    -14.74887395
  H     16.15040427      9.46295046    -12.19353871
  O     13.57584699      7.62161008    -11.35014893
  H     17.32114220      8.36401466    -15.08775473
  H     16.06023947      2.49025866    -12.47519296
  O     17.10067034     11.89020609    -13.98227165
  H     18.21966284      3.76731397    -14.32518589
  H     14.94464205      3.49495918    -12.81790193
  O     14.97906519      8.40266213     -9.04092203
  H     18.57145370      3.31602571    -12.90207766
  H     15.15703460     11.86255598     -8.89917976
  O     15.29826884      5.87037397    -15.02187934
  H     10.44000527      9.11299686    -12.14085844
  H     14.44046492     11.26410464    -10.13209793
  O     18.96701712      6.43933061    -12.59756717
  H     11.65647543      9.29462231    -13.07945518
  H     17.75612088      5.72332388    -11.48133377
  O     16.73172943      9.79184933    -15.99355273
  H     17.46248642      6.96772631     -7.78128154
  H     17.13261871      5.83231956    -10.06225755
  O     14.23383741      8.15667271    -16.20690107
  H     16.42770234      7.53506607     -8.78413047
  H     15.20294307     11.72656364    -13.89942892
  O     15.57653976      8.90063904    -12.73089511
  H     14.27322030      8.07689827    -11.85026048
  H     14.69789834     10.35575960    -13.44012693
  O     15.35830767      2.67234175    -13.11348856
  H     12.74682321      8.06531458    -11.56365502
  H     16.68185313     10.94858364    -10.75017367
  O     15.23548487     11.19238123     -9.57319243
  H     17.25247586     11.51067523    -13.10023812
  H     17.87931052     10.01671059    -11.16409504
  O     17.12111832      5.31281628    -10.87512616
  H     17.76781724     12.55991980    -14.10886027
  H     14.17539614      6.01398557    -11.97315708
  O     14.39456306     11.23545571    -13.71808998
  H     15.04745395      9.35794027     -9.15426058
  H     15.55707571      5.33614401    -11.83237407
  O     17.27855039     10.71453132    -11.47219856
  H     14.40425168      8.08261379     -9.74879996
  H     17.42735326      3.56874878    -11.07052620
  O     14.73989979      5.32698204    -12.35082105
  H     15.72497406      5.05592224    -15.31752811
  H     17.92565077      2.18492611    -10.59122932
  O     17.58740422      2.65103281    -11.35111480
  H     15.03165443      5.72183206    -14.10236522
  H     12.93583675     10.35663331    -14.46211928
  O     12.35264303      9.60833994    -14.65209143
  H     18.48753697      6.93430472    -13.27962769
  H     12.88416111      9.01912091    -15.20091499
          69
 Energy    -248.25212346339515     
  O     -1.43312574      4.88119207     12.25690280
  H     -1.49522255      5.67003419     11.72563147
  H     -1.67205215      5.26320645     20.15997402
  O     -2.95378564      2.75015269     17.97674908
  H     -2.33417639      4.51647134     12.32701701
  H      1.36750546      1.90651799     20.19891441
  O     -3.81469332      3.61270282     12.60546143
  H     -2.66709612      3.44301902     18.58394645
  H      2.46242439      1.11830590     19.44441409
  O     -0.62661017      2.16473957     11.72132612
  H     -2.14512330      2.27774727     17.72293518
  H      0.21377665      2.70001279     14.38780267
  O      2.63407599      4.02250754     18.19930972
  H     -3.72504331      2.72772040     12.23105694
  H      1.44617827      1.89136109     14.82180341
  O      0.01561513      4.94450285     17.51992119
  H     -3.81808760      3.48082099     13.56447328
  H     -2.27505909     -0.02597938     14.75618195
  O     -4.67550022      0.82518940     18.86926934
  H     -0.00845149      1.98013259     12.44145506
  H     -3.23517906      0.32575847     13.58704470
  O      0.61967569     -1.77471896     17.29518724
  H     -0.79201908      3.11464708     11.76199718
  H     -2.09975644     -0.83766729     19.83380499
  O     -3.36018786      2.87897559     15.26233549
  H      3.39504001      4.54638928     18.43399914
  H     -3.21805929      0.20203566     19.98653892
  O     -3.05552428      0.94240651     11.82102537
  H      2.53707721      3.33881003     18.88794250
  H     -2.14920921     -3.13496541     18.79643972
  O      2.16788342      1.86955442     16.48457992
  H     -0.21212653      4.70020308     16.61410845
  H     -2.51709933     -1.89462698     17.95252180
  O     -1.56405351      4.46294414     19.65426681
  H      0.93494931      4.69281227     17.67007143
  H      3.46983842     -0.88875877     18.22472563
  O      2.28763677      1.95033676     19.90076605
  H     -5.53249402      1.18566187     19.08136746
  H      1.95798919     -0.86030202     17.91489826
  O      0.77712121      1.95633032     14.12654499
  H     -4.12662518      1.56479060     18.55741131
  H     -0.93739908      4.53475298     14.05690615
  O     -3.19629967      0.18973136     14.54174900
  H      0.29175856     -1.39885192     16.46801507
  H     -1.70516211      3.66653975     15.07345593
  O     -2.35857331     -0.05642805     20.33879882
  H     -0.17062457     -1.98564729     17.80822154
  H     -3.70664873     -0.72132699     16.12262502
  O     -1.85845513     -2.25370581     18.57412287
  H     -3.33838289      1.93474836     15.04859354
  H     -4.19582435     -0.47405702     17.57350830
  O      2.71498159     -0.30768421     18.17938577
  H     -3.39426186      2.94741848     16.22433070
  H     -0.86818932      2.75738519     20.24348373
  O     -0.85330956      4.09771928     14.91410234
  H     -2.15785838      1.31498059     11.75305616
  H     -1.13099303      1.22316456     20.45351794
  O     -3.75726016     -1.11618609     17.00147916
  H     -3.21411738      0.46223847     11.01262197
  H      0.34185671      1.77673812     17.16841618
  O     -0.44448306      1.89366709     20.31277762
  H      2.44817156      2.65655044     16.96875289
  H     -0.40859706      1.51403916     18.49621796
  O     -0.51020776      1.51174315     17.53512031
  H      2.45040023      1.10192368     16.99901479
  H     -0.68549766      0.30279633     16.18564249
  O     -0.59154975     -0.15695367     15.33601704
  H     -0.98866150      4.68200564     18.89715887
  H     -0.09198140      0.44957628     14.77311365
          69
 Energy    -248.25205101119627     
  O     -0.17648917      2.97977821     -0.30433411
  H     -0.26595777      2.38075864     -1.05750246
  H     -5.73811805      0.46500961      0.88652810
  O     -2.24445258      5.58413130      2.13692181
  H     -0.55048896      3.84056305     -0.53258863
  H     -3.23307936      1.72179147      4.76847233
  O     -2.38450801      2.32531725      1.27566645
  H     -1.74420577      4.96272666      2.68591318
  H     -2.54644293      1.58718250      6.14688015
  O     -0.54287419     -1.06996460      0.02725248
  H     -3.15102742      5.52050732      2.45589912
  H     -0.51880626     -0.61947161      3.49421255
  O     -4.29053475     -2.49908584     -2.04712023
  H     -1.67007525      2.48719156      0.64649737
  H     -1.61820494      0.01855009      4.39112640
  O     -4.67572103     -0.35566051     -0.32946501
  H     -2.08334156      2.70407226      2.11241670
  H     -5.14387983      1.68887731      3.18124274
  O     -3.74932166      4.07496420     -1.73249022
  H     -1.34436165     -0.88800721      0.53907403
  H     -4.78318110      3.09929716      3.69090603
  O     -3.44011496      1.36926543     -2.10828405
  H     -0.76730218     -1.75559059     -0.61921011
  H     -1.19795147      6.28943650     -0.75974404
  O     -0.67677249      0.85058639     -2.00256868
  H     -4.50738582     -1.80591109     -1.40273611
  H     -1.79517951      5.51375855      0.43439072
  O     -0.92508305     -0.89114334     -4.20964085
  H     -4.94457589     -3.18569638     -1.94248561
  H     -5.67990628      5.48482959      3.00682398
  O     -1.40767539     -2.68737064     -2.00244756
  H     -4.00708889     -0.49291383      0.36217686
  H     -4.99912585      4.45240044      2.07701614
  O     -6.18045123      1.01661445      1.55225511
  H     -4.31570489      0.29973077     -0.94736553
  H     -2.39333885     -0.64235954      2.40798943
  O     -2.37893281      1.56246228      5.20805824
  H     -4.31280085      3.95007978     -0.95609021
  H     -2.64172314      0.58346958      1.48218527
  O     -1.39428924     -0.76528646      3.87339264
  H     -3.00023934      4.59656604     -1.42048111
  H     -0.30252869      3.09246916      3.16344770
  O     -4.69421444      2.15899303      3.89087069
  H     -2.48817917      1.21533134     -2.04493331
  H     -1.44113163      2.85574827      4.21477836
  O     -1.53926963      5.43679929     -0.50204894
  H     -3.57534606      2.32673909     -2.08222646
  H      1.06831672      1.41469922      2.22603249
  O     -4.93322241      4.89435857      2.94170816
  H     -0.62019673      0.34550904     -2.82279354
  H      0.74316770      2.60160725      1.29097979
  O     -2.74791435     -0.37832129      1.54762694
  H     -0.55657610      0.21681106     -1.28000258
  H     -3.95080961     -1.32342559     -3.54992526
  O     -1.13382954      3.44707086      3.51873587
  H     -0.58321400     -0.99261458     -5.09346201
  H     -3.68662294      0.19004959     -3.53607595
  O      0.99507551      2.37609274      2.19718327
  H     -1.89016960     -0.78495476     -4.28991067
  H     -3.99373632      3.01437236      0.86147191
  O     -3.62284219     -0.59786778     -4.09500277
  H     -1.16004797     -2.20844344     -2.80310691
  H     -5.48737456      2.61028693      0.89507312
  O     -4.89366377      3.34632725      0.70429016
  H     -2.37199803     -2.72528851     -2.00656181
  H      0.54726849     -0.73140000      1.41533254
  O      0.99150126     -0.47897649      2.24179590
  H     -7.06570934      0.67292152      1.64479235
  H      1.75924143     -1.04073324      2.31886763
          69
 Energy    -248.25172202301800     
  O     11.64683929     11.10406211    -14.52208980
  H     11.59168357     10.65421739    -13.66009627
  H     19.34739959      7.34030316    -16.75744060
  O     16.68570039      6.85581297    -13.68277557
  H     10.77757621     11.44936316    -14.70746115
  H     15.12530175     12.80943940    -17.89320003
  O     17.38507324     10.63676996    -16.21292612
  H     17.60191688      7.14584540    -13.58909315
  H     14.82272861     12.19443472    -16.50665249
  O     12.40738015      7.12302175    -13.41835328
  H     16.64081415      6.35865528    -14.51418293
  H     15.57188586      9.84477549    -14.00573997
  O     16.15924869     10.25249989     -9.04750250
  H     16.81685032     11.24076866    -16.70351963
  H     15.98518791      8.37245078    -14.34852340
  O     14.74157490      7.23836816    -11.77840410
  H     16.77487341     10.04393214    -15.74682767
  H     11.73223039      8.72401209    -12.54560974
  O     15.49964853     11.15551647    -12.78543036
  H     11.92083826      6.35334804    -13.70359656
  H     12.36420599      9.79617319    -11.64305258
  O     18.54038371      8.54470034    -17.68927175
  H     12.61411585      7.63330029    -14.21905149
  H     19.27862482      7.91902712    -11.93081104
  O     16.64164189      7.66316523     -9.68428782
  H     16.34057626      9.30184024     -9.16885857
  H     19.96580680      8.07022214    -10.55787082
  O     16.08139307      7.33332877    -18.42083262
  H     16.19664819     10.42541117     -8.11085198
  H     18.71289721     10.84313828    -13.21208932
  O     16.90953915      5.75938422    -16.16567167
  H     13.91707838      7.08299266    -12.25461907
  H     18.55205988     10.68583192    -14.75218736
  O     19.68004939      6.60874852    -16.20459107
  H     15.45016585      7.04376804    -12.41062481
  H     19.56496129      7.31301505    -14.50115444
  O     15.21858771     12.01261207    -17.37829585
  H     16.36669198     11.10057576    -12.36351269
  H     19.31434198      8.71264238    -13.85445172
  O     15.59674650      9.17959332    -14.70817905
  H     14.87514410     10.77646107    -12.15147828
  H     18.32037058      9.87968657    -11.26017747
  O     11.62726458      9.63603023    -12.24856016
  H     18.25620067      9.34586721    -17.23022520
  H     17.32030865     10.76233160    -10.51399641
  O     19.12512403      8.15746468    -11.00136479
  H     17.73403725      8.15203857    -18.04817548
  H     13.72539053      9.13621166    -17.26109401
  O     19.10749020     10.45012551    -13.99612811
  H     17.48773054      7.67925078    -10.15007051
  H     14.60556388     10.25841370    -17.85320498
  O     19.33472033      7.75758766    -13.67679533
  H     15.98222614      7.35073301    -10.31666507
  H     14.31092377      8.90735810    -11.15072551
  O     17.83979988     10.71497282    -11.32724112
  H     15.85251106      6.93846955    -19.25848354
  H     14.62520134     10.03672172    -10.13403557
  O     14.31082795      9.35094629    -17.99785067
  H     15.44671389      8.05635806    -18.27704467
  H     14.66275350     12.12078375    -14.16158741
  O     14.04025536      9.79211998    -10.86080533
  H     16.54025455      6.24936773    -16.91109488
  H     13.25023276     12.05785317    -14.77544210
  O     14.13986249     12.40135766    -14.92385242
  H     17.86543690      5.88565732    -16.21844792
  H     12.52001733      9.62643696    -15.28293067
  O     13.01283308      8.82990206    -15.51901090
  H     20.42769233      6.23542272    -16.66303602
  H     13.94003422      8.97877542    -15.26760426
          69
 Energy    -248.25151294279345     
  O     -2.67445558      3.99514142      3.59216503
  H     -2.77570597      3.04815006      3.76706641
  H     -2.41500553      2.97411511     -0.00593831
  O      0.70378645      4.70482671      0.97674918
  H     -3.55646532      4.38142453      3.66075373
  H     -5.73378713      3.71939417      0.18174744
  O     -0.73138786     -0.01927048      2.86953293
  H      1.35777280      5.25940412      0.56041401
  H     -5.89396598      2.41804310     -0.67316871
  O     -4.93541603     -1.44591717     -0.98634971
  H      0.99266705      3.78356559      0.84921591
  H      0.84500146      1.42864696      0.47283874
  O     -2.21195004     -2.01036804     -0.55373309
  H     -0.69051727      0.13385691      1.91424168
  H      1.54793849      1.84879148      1.78209366
  O     -4.47061585      1.15003920      1.49759877
  H      0.01952073      0.44857257      3.25530504
  H     -5.96728268      4.22749169      3.31530033
  O     -7.08762328      2.99851533      2.75582633
  H     -5.54955472     -1.88731453     -1.56979496
  H     -5.79403429      5.58302982      4.03476171
  O     -3.02439083      1.26427647      3.80610263
  H     -5.36623041     -1.40387830     -0.11658199
  H     -1.14522580      4.68333777      0.83348348
  O     -4.89226840      1.38580651     -1.86053877
  H     -1.96028513     -2.67844256     -1.18824017
  H     -2.27734991      4.31497308      1.82816306
  O     -5.94802618     -1.25828783      1.56971540
  H     -3.13569067     -1.78527610     -0.74280622
  H     -3.86112381      5.08878625      0.60419341
  O     -4.53188214     -2.75001988      3.46148451
  H     -5.10562878      1.78297403      1.13207560
  H     -5.00882245      5.26437247      1.61189124
  O     -2.61940862      2.08641675     -0.32930091
  H     -4.91088046      0.29390193      1.52862801
  H     -4.84180392     -1.18235981      4.53165099
  O     -6.18655836      2.86213994      0.13336434
  H     -6.98258387      2.97366787      1.79364200
  H     -4.34820745      0.27280979      4.66852261
  O      1.43917651      2.08810858      0.85319111
  H     -7.20043801      2.08324198      3.03380188
  H      0.36451439      4.42840539      2.85795057
  O     -5.32951446      4.93735401      3.50839175
  H     -2.20503323      0.80770256      3.57463554
  H     -0.81365428      4.12413613      3.80888317
  O     -2.09110738      4.50528544      0.89676114
  H     -3.56630851      1.27212748      3.00063319
  H      0.92205450      2.49802878      3.78821165
  O     -4.82026804      5.18430522      0.66891342
  H     -4.03020346      1.70493778     -1.55839542
  H      2.05254886      1.60190476      4.34860231
  O     -5.09296454     -0.31202588      4.86445696
  H     -4.91171608      0.45268385     -1.62399357
  H     -6.58667102      0.08961840      4.06126190
  O      0.14608440      4.05484590      3.72078994
  H     -5.49075311     -1.85079203      2.18336319
  H     -8.13381888      0.03060142      4.02094657
  O      1.35853580      1.63164333      3.69605654
  H     -6.59426215     -0.76873710      2.09616137
  H     -1.60306431     -1.62141792      2.61337264
  O     -7.36549203      0.23017330      3.49201995
  H     -3.64055349     -2.64074129      3.08218887
  H     -2.13790606     -2.30938971      1.33684889
  O     -2.15404249     -2.35152617      2.29968549
  H     -4.57022569     -3.62904021      3.82786425
  H     -1.01763349     -0.52879128     -0.21545838
  O     -0.62446996      0.29528763      0.08971813
  H     -3.22928226      1.69702975      0.31581461
  H     -1.27051265      0.98671461     -0.12696644
          69
 Energy    -248.25141451749113     
  O     -1.61463031      5.03683761      2.14776017
  H     -2.00430975      4.31197582      2.66455472
  H     -2.50871451     -1.78275611      1.88885486
  O     -2.55699087      2.79451883      3.41336077
  H     -2.08102626      5.83215699      2.39244907
  H      1.47321695      1.40944314      0.73094245
  O     -1.01920495     -0.90642611      4.63482392
  H     -2.32103988      2.49678759      4.29923247
  H      1.45220918      0.33299049      1.89006035
  O     -1.90575063     -2.67998093      0.47457779
  H     -2.07555126      2.20997671      2.80465897
  H     -4.42573418     -0.81569711     -0.15244849
  O     -1.41188222     -0.26961505     -2.37363961
  H     -1.72722680     -1.03597152      3.98676962
  H     -3.16818582     -1.64297615     -0.44078500
  O     -4.67200477      2.25193252      1.58681505
  H     -1.23087998     -0.09796702      5.11629456
  H     -0.37700231     -2.68774721      4.48801201
  O     -2.80781667      1.75369074     -0.56874050
  H     -1.63821175     -3.50406536      0.90103180
  H      0.94409705     -3.32350426      4.00993338
  O      1.60344327      3.15023040      0.16054992
  H     -1.10194371     -2.28675792      0.10364725
  H     -0.57854213     -4.36931262      2.76807277
  O      0.37065565     -1.54949976     -0.63743224
  H     -2.26002918     -0.65359834     -2.11575982
  H     -0.99762691     -5.70502216      2.10730336
  O     -1.42152066      1.03615234      1.67053651
  H     -1.48551308      0.65172858     -2.11177194
  H      0.83560223     -4.11920618      1.11381053
  O     -5.32546874     -0.38117399      1.51665442
  H     -4.14272838      2.29889158      0.78081145
  H      1.28923467     -2.93738872      0.23207239
  O     -2.83353585     -1.18096886      2.57510020
  H     -4.08270954      2.50446533      2.30953329
  H     -1.52784619      1.88297013      6.69409358
  O      1.19785201      0.51641050      0.97427636
  H     -3.21234006      0.91245257     -0.81363155
  H     -0.56054715      1.93690824      5.48501969
  O     -3.74298035     -0.96136755     -0.81840755
  H     -2.25699585      1.54046297      0.20361522
  H      1.37211752      1.44991380      4.45963535
  O      0.01207468     -3.51399878      4.17522024
  H      2.20701869      3.55203803     -0.45887023
  H      1.05669278      2.94000585      4.16900385
  O     -0.80511534     -4.79056329      1.91929511
  H      0.70557258      3.41589162     -0.10763992
  H      2.34172427     -3.05526389      2.36548746
  O      1.60384967     -3.58684068      0.87485632
  H      0.72663286     -0.82088075     -0.10732210
  H      3.48726528     -3.18226933      3.39890019
  O     -1.46037828      1.68009211      5.76516718
  H     -0.11670467     -1.15066832     -1.37048822
  H      0.64566025     -0.47335870      3.92528977
  O      0.98854994      2.24774766      4.84284175
  H     -0.50282905      0.83526094      1.45633934
  H      2.02412661     -1.06775034      3.53904917
  O      2.63058624     -2.78907458      3.25705297
  H     -1.85838974      0.22787383      1.96989175
  H      0.19520224      4.54933767      2.63091825
  O      1.52709405     -0.24202486      3.59819843
  H     -5.18496745      0.58019185      1.58007141
  H      1.36038931      3.82643643      1.94299412
  O      1.04078020      4.11969756      2.80407006
  H     -6.24096661     -0.54148775      1.72898830
  H     -1.24334021      4.36221027      0.41697774
  O     -0.95567635      3.90019640     -0.38181729
  H     -3.74130181     -0.95250871      2.34159553
  H     -1.66301354      3.28549390     -0.60993238
          69
 Energy    -248.25137013580320     
  O     12.53801939     11.25658693    -15.45107929
  H     13.35683104     11.74580209    -15.59269480
  H     16.81539645      5.26739080    -14.69684475
  O     15.13679286      6.84722275    -12.39892843
  H     12.32071342     11.32340288    -14.51276614
  H     15.48763829      9.72848152    -17.81607227
  O     18.23372922      9.67438725    -13.15154950
  H     16.08843380      6.88640717    -12.23081853
  H     16.70589818      9.71138518    -16.86943134
  O     11.98025896      6.50759510    -14.63346586
  H     14.70175721      7.33677980    -11.68921161
  H     14.15150232      8.66438695    -14.98614599
  O     16.35712530     11.04223230     -9.48673233
  H     17.47118758     10.24571145    -13.32325774
  H     14.88214640      8.05822882    -13.73078303
  O     13.93500569      8.48619308    -10.54352626
  H     18.59216846      9.98339132    -12.30902240
  H     11.73489972     10.13441591    -12.64120360
  O     15.90240450     11.13415419    -13.64855875
  H     12.14108296      7.25753004    -15.23263599
  H     10.96025255     11.45159225    -12.40225670
  O     15.66250388      6.57250073    -17.09910343
  H     11.14030516      6.13129467    -14.88646042
  H     18.08391758      7.43829951    -10.37727375
  O     15.72760033      8.45260286     -8.38714871
  H     16.10310338     10.25666244     -8.98716976
  H     18.51197377      8.77789648     -9.76936974
  O     17.39251313      8.34184045    -15.57232887
  H     15.61597192     11.22777501    -10.07793480
  H     12.42872304      8.25200525    -11.69800555
  O     14.65120107      5.42859306    -14.72664160
  H     14.44538421      8.38710862     -9.73000071
  H     11.89132818      7.68526086    -13.04281004
  O     17.68877290      5.63075036    -14.52037605
  H     14.08119154      9.39505434    -10.84338461
  H     18.02648505      7.93638558    -12.52641325
  O     16.11442243     10.29824432    -17.35269452
  H     15.72485925     11.74743912    -14.37100278
  H     17.97545882      6.42305507    -12.89803452
  O     14.92719987      8.73470573    -14.41908461
  H     15.48603159     10.29404591    -13.90626369
  H     17.95362627     10.79876263    -10.17681323
  O     11.79642210     11.10495367    -12.70359658
  H     15.27687945      6.13710162    -16.32546114
  H     19.45777060     11.15715969    -10.16445233
  O     18.12031423      7.92589384     -9.54250497
  H     16.43643944      7.04707846    -16.77761634
  H     14.74932179      7.67176686    -18.06129374
  O     11.79532673      8.40562765    -12.41131314
  H     16.58543324      8.18420635     -8.76352045
  H     14.12337536      8.18725423    -19.38303336
  O     17.89060455      7.04884572    -12.16533809
  H     15.71577508      8.14667169     -7.48441639
  H     13.41788686     11.27103859    -11.77251488
  O     18.82592723     10.54096669    -10.52575772
  H     17.94962909      8.79083616    -14.92558787
  H     14.91370509     11.21689270    -12.15422419
  O     14.26798054      8.41560607    -18.46895660
  H     16.48864303      8.41664656    -15.22030046
  H     15.29912395     13.24104586    -16.46206533
  O     14.30146011     11.14033053    -11.40764921
  H     14.87588144      5.77639415    -13.85065827
  H     15.48006189     11.70577839    -16.52929271
  O     15.11276515     12.43189485    -15.99362546
  H     13.70245739      5.59175465    -14.79339601
  H     13.13172173      8.59283850    -17.01575256
  O     12.70168217      8.64730399    -16.15397021
  H     17.71151288      6.47986404    -14.97931039
  H     12.54201022      9.58478586    -15.96039872
          69
 Energy    -248.25130789642355     
  O     11.85346723     10.47373040    -14.28188176
  H     11.57098852      9.90752349    -13.55309054
  H     16.09393669      4.21144228    -13.87109783
  O     15.88396491      5.38044753    -12.57512222
  H     11.95607205      9.91346110    -15.06062185
  H     15.81282225     10.00831855    -16.03687741
  O     17.88959824      9.40770777    -12.42513019
  H     16.74975042      5.77197832    -12.38441542
  H     14.75145910     11.06207729    -15.66408728
  O     17.19351010      8.97190410    -15.19679954
  H     15.26777687      5.63080956    -11.87373625
  H     15.43972791      6.89874799    -13.49566919
  O     13.05136947      6.58250997    -15.40142384
  H     16.96191222      9.68607689    -12.44892269
  H     14.36837377      7.38746249    -14.49144973
  O     15.63581851      8.94649212     -8.71800899
  H     18.14937764      9.51229234    -11.50104133
  H     10.22887582      8.77423937    -11.75243284
  O     14.08456326      6.27722392    -10.71752717
  H     16.45747553      8.45366888    -14.82898559
  H     11.37223027      7.92465795    -12.35647258
  O     15.17826993     10.02777316    -12.56037157
  H     17.69377312      9.27117807    -14.43071443
  H     18.37933658      7.61441264     -9.51595552
  O     17.61755821      6.97782932    -17.03457735
  H     12.79597645      7.35861003    -15.91661950
  H     18.41610054      6.49213205    -10.55907508
  O     15.85201166      6.08054799     -8.54455067
  H     13.72983229      6.10528084    -15.90566055
  H     12.69620933      6.11558292    -12.16238770
  O     18.61913557      5.40089780    -14.86287795
  H     14.84196328      9.08714727     -9.24970407
  H     12.34713182      6.30283313    -13.67315509
  O     16.32890277      3.67560752    -14.64905971
  H     15.64913384      8.00296731     -8.51571707
  H     18.21615987      7.56609120    -12.50137069
  O     14.97601866     10.39233155    -16.32326763
  H     14.59512113      6.09335332     -9.91780385
  H     18.57573609      6.23997630    -13.26310834
  O     15.12235421      7.67970386    -13.96491607
  H     13.89561146      7.22584540    -10.69610752
  H     18.56330794     10.14262810     -9.00205821
  O     11.11906927      8.82747851    -12.09059823
  H     14.85313146     10.77249172    -13.08042821
  H     17.23671536      9.40447760     -9.29225452
  O     18.27580544      6.66010348     -9.61732407
  H     15.04607322      9.22063899    -13.08356193
  H     15.97496236      5.94008917    -16.85339623
  O     11.99687574      6.37020049    -12.77453585
  H     17.54407042      7.75426596    -16.45539909
  H     15.55659280      4.71720331    -16.02278022
  O     18.32913144      6.61154729    -12.40329835
  H     18.02389779      7.27752263    -17.84410489
  H     12.65127194      9.06699122    -10.98825229
  O     18.15311387      9.52370661     -9.60043539
  H     16.74156879      6.20349549     -8.92276589
  H     14.12414929      9.46586219    -11.24154604
  O     15.21263864      5.40207634    -16.61102130
  H     15.95352907      5.51902092     -7.78092422
  H     13.20278953     11.53520103    -14.18755448
  O     13.53385395      9.03995559    -10.60126239
  H     17.97001781      4.68691314    -14.83737502
  H     13.85458776     12.93780633    -14.06705403
  O     14.05369947     12.01281689    -14.17922499
  H     18.40485786      5.90793513    -15.65484581
  H     12.26459025      9.24214088    -17.51914477
  O     12.62055498      9.05249758    -16.65467222
  H     16.20408215      2.76299247    -14.40270849
  H     13.48662536      9.49494419    -16.60636548
          69
 Energy    -248.25117453902624     
  O     15.99041345     11.34877702    -15.51188987
  H     16.45303093     11.26700551    -14.66671160
  H     12.44826149      7.99074866     -9.11852618
  O     16.29891400      7.19745427    -11.04169276
  H     15.09028064     11.61539164    -15.29349418
  H     14.97596850     12.88243948    -11.79159704
  O     11.90162960      7.46017557    -12.49684222
  H     15.46193186      6.75781653    -10.84678670
  H     13.67088481     12.18593326    -11.36108617
  O     13.22953632     10.79838877    -10.20309793
  H     16.55084628      6.89994230    -11.92843357
  H     14.49851053      9.94881459    -11.26007635
  O     13.50548208      4.98703194    -14.99882731
  H     11.46806845      6.78935942    -13.04453560
  H     15.46428033      8.73408811    -11.50204861
  O     16.70808022      6.24512890    -13.60124005
  H     12.34947656      8.07589215    -13.09303220
  H     16.50381399      9.91407180    -16.34999061
  O     13.40039323      9.20855305    -14.03425326
  H     13.63724974     10.62457309     -9.34394103
  H     17.14084029      9.22092201    -17.57911985
  O     16.77571471     10.91736812     -9.12892671
  H     12.44969405     10.23167624    -10.26016663
  H     17.96087073      8.66047809    -15.16409653
  O     14.96952508      4.21339571    -12.64161170
  H     14.00411828      4.62082819    -14.25884808
  H     17.95358448      7.65607312    -14.00521889
  O     14.58740331      9.96514992     -7.90920791
  H     13.99261299      5.76840602    -15.29206531
  H     10.23279386      8.88445658    -10.17104421
  O     18.34408425      8.88192302    -10.18425995
  H     16.28796780      5.41861755    -13.33343121
  H     11.36138138      8.35814698    -11.08843440
  O     13.22226214      7.56082516     -8.73314951
  H     16.10328373      6.65257606    -14.23969823
  H     13.15138241      6.46544840    -11.52762341
  O     14.05492422     12.75060816    -12.04559593
  H     14.03063224      9.28283606    -13.29887723
  H     13.59496656      6.40295496    -10.05019170
  O     15.05879142      9.50892549    -11.91088348
  H     13.24320909     10.11137127    -14.33270760
  H     10.31600734      5.09986337    -14.71400048
  O     16.82975084      9.06184669    -16.69225017
  H     17.38793536     10.23734489     -9.44583205
  H     11.83344652      5.28610781    -14.53115917
  O     18.30987498      8.51141255    -14.27561907
  H     16.78390470     11.61957325     -9.78741523
  H     17.10984460     12.12373726    -11.96934588
  O     11.17950413      8.87505924    -10.28444692
  H     14.51252893      4.76288923    -11.98314842
  H     17.46842066     13.51321014    -11.39425356
  O     13.76058379      6.01839122    -10.92425991
  H     15.06214730      3.34574393    -12.25592908
  H     14.36191224      8.02301113    -15.02247887
  O     10.96524250      5.53055653    -14.16574339
  H     14.60196509     10.22746135     -6.99267173
  H     15.56076175      7.88845042    -15.99613364
  O     16.83904401     12.79957102    -11.32394549
  H     15.41873654     10.28883691     -8.30282492
  H     13.60332581     12.29049373    -13.66536059
  O     14.95235598      7.38227529    -15.44354785
  H     17.68230714      8.20428931    -10.39023960
  H     12.75771864     12.61225781    -14.91873532
  O     13.37042571     11.97719109    -14.55805775
  H     18.86589172      8.98085356    -10.97912863
  H     16.45876352     10.33187446    -12.63868898
  O     17.23667205     10.73454429    -13.05582412
  H     13.77420642      8.27675716     -8.39650775
  H     17.73844539     10.00600162    -13.44710613
          69
 Energy    -248.25098955923261     
  O     -3.04086222     -1.53430688     -0.31915070
  H     -2.19092386     -1.58034077     -0.78108638
  H      1.13740271     -0.40008166      2.33603618
  O     -2.11251502      2.01194901      0.84475716
  H     -3.46857159     -0.72147083     -0.61360945
  H     -3.40140348     -3.03917044      0.60769219
  O     -1.41644846     -1.25525984      4.68808616
  H     -2.75707434      1.86216189      0.14256017
  H     -4.22205400     -3.55773123      1.79867630
  O      3.29575384     -2.53844102      1.09427962
  H     -2.12092593      1.19534252      1.36590536
  H      2.49367852     -0.84853165      3.94232040
  O     -0.53971511     -1.59187780     -1.58913752
  H     -0.93871230     -0.46235713      4.95822353
  H      1.58079333      0.37014611      4.34378816
  O     -1.98744737      0.42768149     -3.07664801
  H     -1.85599120     -1.01190554      3.86169263
  H      0.55418473     -2.35535376      0.94899842
  O     -3.82867955      1.04816846     -1.21633161
  H      3.22499272     -2.60486153      2.05412739
  H      0.09663873     -3.83390713      0.89827719
  O     -0.34599587      2.66606031     -3.21439371
  H      2.47047120     -2.90362087      0.74846379
  H     -2.52848874     -0.91221121      1.36047781
  O      0.18109987      2.87369882     -0.49514087
  H     -0.16952649     -2.32628288     -1.08213013
  H     -1.17510941     -0.54123179      2.01087385
  O      3.94049704     -0.19777066     -0.12587498
  H      0.08141537     -0.86275009     -1.44041612
  H     -1.15312252     -5.80185536      1.91532227
  O      1.27948651      0.34068530     -0.83476134
  H     -1.46052445     -0.32816840     -2.79452507
  H     -1.93731691     -4.48744577      1.71401058
  O      0.51691720     -0.65784243      1.64517180
  H     -1.37787067      1.16530981     -3.22585882
  H     -1.15474156      2.68884780      2.40883365
  O     -3.47770422     -3.77101914      1.23988636
  H     -4.63027921      1.37125584     -1.61826248
  H      0.26589118      3.22938476      2.65569672
  O      2.26262836      0.06548287      3.73074795
  H     -3.20111027      0.87283610     -1.94240438
  H      3.29408528     -3.18896493      4.55158582
  O      0.62033244     -3.17300673      0.43063881
  H      0.17646031      3.26775584     -3.73834446
  H      1.87424561     -2.96516373      3.97714433
  O     -2.13805213     -0.45419133      2.11416025
  H     -0.13876322      2.86516929     -2.28826251
  H     -0.37506986     -2.68689550      4.33247269
  O     -1.06643336     -4.85226061      1.94503895
  H     -0.62822292      2.58768427     -0.04595221
  H     -0.24419561     -3.92529773      3.40743219
  O     -0.49547931      2.83272075      3.09699116
  H      0.73115176      3.31524889      0.16354146
  H     -0.15902885      1.74983784      4.43163386
  O      2.80062515     -2.66239312      3.92900173
  H      3.74932213     -1.04400031      0.31772427
  H      0.03036269      1.63796425      5.96115034
  O      0.22790348     -3.39302645      4.05585174
  H      4.72468023     -0.33625453     -0.65009178
  H      3.69655208      1.15291795      1.18273817
  O      0.10169572      1.14408809      5.14837626
  H      1.02388865      1.27019728     -0.77621389
  H      3.09098801      1.20035858      2.59948035
  O      3.40367653      1.75873080      1.87262697
  H      2.23373446      0.26035099     -0.71431975
  H      2.20176986      4.65194504      1.79439642
  O      1.73103171      3.84323943      1.61340508
  H      0.79021390     -0.22939488      0.82341726
  H      2.37367337      3.11550032      1.70216980
          69
 Energy    -248.25094939715592     
  O      1.49873567      2.19406600      6.85873142
  H      2.03130571      2.99621132      6.82033043
  H      4.66762292      0.28244247      9.01389433
  O     -1.97970318      1.56981782      4.99062196
  H      0.57146010      2.43444724      6.99596332
  H      4.25044663      2.42998277      9.77355486
  O     -1.18278678      2.69642837      7.31452721
  H     -1.54841222      2.03633585      4.25893592
  H      5.22531229      2.33004708      8.57014651
  O      3.22217942      4.40022248      6.64752686
  H     -1.60670878      0.68252802      5.01848349
  H      8.00110274      3.25962637      4.50298320
  O      4.49702485      1.77626070      1.62950979
  H     -1.56351534      2.38147387      6.47631258
  H      6.81907006      2.28376801      4.27322940
  O      2.05168488      2.05812209      2.98556939
  H     -1.20244407      3.65795569      7.31285137
  H      0.99462169     -0.32528195      5.12178209
  O     -0.68296608      5.50902392      7.24927712
  H      3.06972932      4.55064623      5.70477337
  H      1.67658130      0.95313619      5.65767716
  O      6.11877616      0.77001985      3.76642525
  H      4.02232281      3.86283632      6.72286278
  H     -1.14965769     -1.80020707      5.53117279
  O      0.00947429      5.57146115      4.52163613
  H      4.68173365      1.73375923      0.69500518
  H     -0.76038709     -0.69796638      6.54244802
  O     -0.82861241      0.00995063      8.16089476
  H      4.74928220      2.66954345      1.92775576
  H      4.41540693     -0.26006101      6.81454388
  O     -0.58800016      3.06981122      3.13317559
  H      1.96430510      1.34192972      3.62983946
  H      3.51589295      0.04980584      5.58365458
  O      4.35769315     -0.58050607      8.68243984
  H      2.82129073      1.86172288      2.43822901
  H      6.01771902      2.93076811      6.10591344
  O      5.01022111      1.94551617      9.43171244
  H     -1.24565787      6.13219878      7.70199317
  H      4.99107482      1.81523249      6.42964789
  O      7.05610976      3.17354859      4.59518091
  H      0.10268099      5.38370455      7.81292192
  H      2.41177718      3.70611058      3.65849062
  O      1.78968734      0.21401341      5.03662406
  H      5.56144934      0.40293205      4.46562828
  H      1.76144472      5.04609494      4.08606907
  O     -0.68447549     -0.97171429      5.61089514
  H      5.54217103      0.94710626      3.01278322
  H      2.58951442      0.03711318      8.96711229
  O      4.41607886      0.12576932      5.93018376
  H     -0.22907513      5.54647087      5.46051357
  H      1.73340068      1.11831075      8.25676844
  O      5.34556757      2.65964936      6.74318240
  H     -0.41606243      6.34395306      4.15456558
  H      5.77626209      4.01338379      3.40712977
  O      2.61011126      4.60132359      3.97335145
  H      0.01506472      0.04993271      8.62828281
  H      4.32362117      4.50942476      3.16574908
  O      1.79855443      0.58019942      9.06299890
  H     -1.09705371      0.92979413      8.02980255
  H      1.77175529      4.40345633      9.35446081
  O      5.11837189      4.18458871      2.72228522
  H      0.28520820      2.70315536      2.94206249
  H      2.22419818      5.00758753      8.01663069
  O      1.54665828      5.07978347      8.70609822
  H     -0.43301311      3.91657393      3.56605059
  H      2.27326596      2.87468573     11.34651224
  O      2.43420665      2.92088919     10.40642318
  H      4.84311558     -1.25040107      9.15641384
  H      2.12805531      2.07813623     10.03320547
          69
 Energy    -248.25083943987011     
  O     11.58125179     10.25678959     -9.81615214
  H     11.37899097      9.38185824     -9.46092113
  H     16.70471555     12.80722864    -13.69278239
  O     13.47369881      5.28504786    -15.19774459
  H     11.00444784     10.36375556    -10.58277829
  H     15.86524982      7.25057679    -13.19766084
  O     17.59532045     10.66365125    -16.35145513
  H     13.03254372      4.72028939    -15.82804955
  H     15.96782626      8.77902484    -13.36172594
  O     12.64078401      9.58733115    -13.37748855
  H     14.02473247      5.90067070    -15.70938995
  H     10.57863960      7.40446481    -10.05687605
  O     15.87955821      6.18120717    -11.66064009
  H     16.80634680     10.36911313    -16.82271198
  H     10.54097874      7.04946991     -8.55013388
  O     12.26728057      6.83793630    -13.16965537
  H     17.27962588     11.18503216    -15.60271934
  H     19.17209615      7.30068483    -13.87117880
  O     16.47071725     10.04301106    -12.06016356
  H     13.10802350     10.07106628    -14.07439000
  H     18.98222295      5.82102746    -13.50216248
  O     15.14648926      9.61187098    -17.48319961
  H     13.16145892      9.66384965    -12.56713061
  H      9.83213800      8.36842786    -11.92992826
  O     15.70154300      4.24773609    -13.63624328
  H     15.07381744      6.37763047    -11.16244587
  H     10.61318130      7.08873179    -12.27733319
  O     15.18630683      7.09407647    -16.34131495
  H     16.60281547      6.69528259    -11.28208916
  H     18.28375280      9.15500839    -15.64021026
  O     17.67677708      6.03661910    -16.68409578
  H     12.63071578      6.28665226    -13.87141991
  H     17.56493181      8.14294448    -14.72373558
  O     16.48591964     11.94537315    -14.03865012
  H     12.42901716      7.76479372    -13.40106858
  H     18.64772337      3.43676316    -14.46927636
  O     15.88531231      7.95602750    -13.85697191
  H     17.08034988      9.40195603    -11.67342370
  H     17.35169127      4.23014666    -14.18659911
  O     11.07209400      7.47260805     -9.21913496
  H     15.64044291      9.99794571    -11.56118672
  H     18.53222884      7.45860384    -11.77107666
  O     19.23948005      6.67513722    -13.13513265
  H     15.12607755      8.69218220    -17.17271727
  H     18.63944040      7.90599157    -10.29345869
  O      9.93341657      7.43923512    -11.68593553
  H     14.93492237      9.59228275    -18.41328111
  H     14.85622405     11.39352410    -14.84282665
  O     18.39587207      8.30628995    -15.19117899
  H     15.73697841      4.81928294    -12.85526621
  H     14.37435450     10.54825275    -16.04088396
  O     18.27854845      4.31602624    -14.47194268
  H     14.92242396      4.51378515    -14.13504552
  H     13.02351440      6.79677687    -11.52887827
  O     18.04977123      7.89244583    -11.04264649
  H     16.00820289      6.64307624    -16.59222704
  H     12.70839946      7.00678184    -10.02459565
  O     14.08188547     10.95547672    -15.21655159
  H     15.34004809      7.45996112    -15.45467767
  H     13.26254531     10.03274744    -10.45575964
  O     13.43146231      6.91448136    -10.65641845
  H     18.08242681      6.84573792    -16.34125585
  H     13.93418266      8.68430735    -10.78427673
  O     14.01761848      9.63870280    -10.91622772
  H     17.91258720      5.35317461    -16.04496515
  H      9.70642362     10.86635457    -12.83760456
  O     10.17425895     10.20280004    -12.33739196
  H     16.55526342     11.32156243    -13.29695517
  H     11.01503260     10.04459289    -12.80012778
          69
 Ord_Energy   -248.250778    
 O   -3.47349668       2.00145936       1.90343797    
 H   -3.88786721       1.15248537       1.66477287    
 H   -4.08131790       2.68461633       1.63074899    
 O  -0.167043507      -2.78135967      -1.32973874    
 H   -2.89285704E-02  -3.13497233      -2.20467806    
 H    6.28024014E-03  -3.50806785     -0.704582095    
 O    2.86193013      -3.46107626       1.53254521    
 H    3.77123642      -3.61436749       1.28997266    
 H    2.57503963      -2.66410112       1.05219674    
 O   0.245488420      -1.83916297E-02   7.78066206    
 H   0.534024835     -0.523003578       7.00666571    
 H  -0.163065314      0.791174173       7.45106030    
 O  -0.160267130      0.110023670       3.39722943    
 H  -0.833701909      0.696249187       3.76567149    
 H  -0.636385083     -0.624396443       2.97725034    
 O   -4.21380901      -2.15771651       3.43445992    
 H   -4.02620745      -3.03253078       3.79553294    
 H   -4.18877792      -1.54493415       4.18452501    
 O    1.90053535      -1.36972713       9.63007733E-02
 H    1.18203628      -1.69841850     -0.457176954    
 H    1.64422786     -0.494575828      0.408075452    
 O   -1.67329848      -1.86537099       2.28066039    
 H   -2.54750276      -1.91802597       2.68934464    
 H   -1.81662762      -1.65691257       1.34713888    
 O  -0.937690735      -4.44481611       2.92927289    
 H   -1.10622430      -3.53032446       2.65183759    
 H   -1.66586959      -4.67115831       3.51627207    
 O   -2.24102688      -1.19279277     -0.333854079    
 H   -1.91347528     -0.279271454     -0.357329518    
 H   -1.59946597      -1.74691284     -0.794706225    
 O   0.641913593      -1.55548382       5.47295713    
 H    1.07713044      -2.31524134       5.05712557    
 H   0.460747570     -0.922047973       4.76634836    
 O   -3.39693165      0.615201354       8.06721497    
 H   -2.91755700     -0.100029849       8.50500870    
 H   -2.72472620       1.25915635       7.81166029    
 O    1.54971409      -3.68315268       4.04910183    
 H    2.09653020      -3.58742595       3.25988102    
 H   0.719758749      -4.07066870       3.74097133    
 O   -4.49786615     -0.412905127       1.19571614    
 H   -4.59080124      -1.07495868       1.89178526    
 H   -3.87535548     -0.776726365      0.551079988    
 O   -2.30735445       1.55912089       4.39600563    
 H   -2.72580695       1.80465102       3.56075811    
 H   -2.80793500      0.813451827       4.76143312    
 O   -3.11822534      -4.43822765       4.78223038    
 H   -2.63271809      -3.85436773       5.39036131    
 H   -3.51028585      -5.12568903       5.31496000    
 O   -1.78184783      -2.59821272       6.33360434    
 H   -1.80677259      -2.38071012       7.27441263    
 H  -0.923130095      -2.30020642       5.99936438    
 O   -3.58226800     -0.575012803       5.60265446    
 H   -3.74225616     -0.133276641       6.44869328    
 H   -2.93524384      -1.26899314       5.79231119    
 O   -1.38193321       1.38922703      -1.90689098E-02
 H  -0.498029947       1.41638553      0.367575884    
 H   -1.99129045       1.71670043      0.653050721    
 O   -1.29502726       2.23561192       6.87493181    
 H   -1.62714183       2.10812998       5.97149086    
 H   -1.13907015       3.17132664       6.97903872    
 O   0.477231979      -4.67226410      0.509336710    
 H   -7.48671070E-02  -4.78100395       1.29448545    
 H    1.34528625      -4.40734291      0.839513838    
 O   -1.67172444      -1.52778327       8.93230438    
 H   -1.43305027      -1.84065962       9.80040359    
 H  -0.925510585     -0.987164319       8.61131668    
 O    1.15844107       1.13634753       1.24654484    
 H   0.769338191      0.794129550       2.06973696    
 H    1.82944548       1.76630604       1.49723041    
          69
 Energy    -248.25074936666672     
  O     15.50160207     11.93888693    -11.89534093
  H     14.68184150     11.84598971    -12.39609738
  H     18.62032209      9.56724511    -10.19846882
  O     13.69133396      5.72022881    -11.08445094
  H     15.39105568     11.46093906    -11.06469219
  H     16.72098678      8.01717902    -13.57137028
  O     17.35904532     10.30176660    -15.78277640
  H     13.78105244      6.67921284    -10.98272746
  H     16.77881488      9.29007214    -12.72117702
  O     10.15689560      7.25690580    -13.13665436
  H     12.75450319      5.51309553    -11.19021731
  H     12.52636494     12.22309730    -13.74803454
  O     13.33767951      7.69262112    -15.08125518
  H     16.38657767     10.23518617    -15.75532493
  H     12.77097032     10.76083126    -13.30987960
  O     14.19542673      8.43169384    -11.10419693
  H     17.58245974     10.73981065    -16.59933008
  H     11.61564763      4.39165722    -13.40206532
  O     19.84535266      7.80403678    -12.82798790
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  H     14.22485950     10.69778086    -14.95391332
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  H     14.25962332      9.25268304    -15.49972452
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  H     15.21351547      5.03857760    -10.40097713
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  H     14.90195602      8.39765247    -11.76960149
  H     16.10307430      3.84642455    -10.00900634
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  H     14.50211806      9.04461604    -10.42582353
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  H     15.40072149      5.32682324    -13.86263576
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  H     10.65376348      5.90083365    -12.15092536
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  H     16.36028883      9.90360410     -9.54754615
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  H     17.94144095      8.19910368    -10.02206848
  H     16.95266871     11.40855250    -12.71033865
          69
 Energy    -248.25067491077851     
  O      4.20441367      4.38858823      4.12619156
  H      4.27158641      5.34355831      4.24952748
  H      0.91928425      5.66357448     -1.01077464
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  H      4.42971978      4.20334647      3.20641353
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  O     -2.08850251      5.08007722      3.12783138
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  H      0.95047259      9.81616450     -3.99489929
  O      4.17458797      6.14361765      0.03737970
  H     -0.70622754      8.22994413      4.02188553
  H     -2.69417023      8.12949946      1.15343613
  O      4.02716423      7.20786637      4.52773950
  H     -1.35011272      4.47053732      3.00697299
  H     -1.81057733      9.15180128      0.40671948
  O      3.05387381     10.25580914     -1.16352025
  H     -1.74753798      5.81678539      3.65492947
  H      4.13719197      8.84591716     -1.65190859
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  H      3.33739109      5.87935692     -0.37213736
  H      4.57901718      7.40640462     -1.27058428
  O      0.44544637      3.76852626      2.68851525
  H      4.51305005      5.36332005      0.49256582
  H      1.92843269      2.95713411      5.80830478
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  H      3.74743679      7.48094154      3.63761246
  H      2.71194686      3.82862838      4.79545398
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  H      4.65090859      7.86119739      4.83375363
  H      0.32218939      9.37192046     -0.11079377
  O     -0.60390679      6.39921777     -0.39365110
  H      2.57876788     10.28992443     -0.32472434
  H      0.04292695      9.26402461     -1.63772425
  O      1.79996141      5.36947600     -1.28541577
  H      2.38005530     10.13798933     -1.84297083
  H      2.33326014      6.76462020      5.33060287
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  H      3.61557518      7.29942816      1.32309699
  H      1.50834800      5.48303687      5.54145513
  O     -2.35451139      9.03108242      1.19715278
  H      2.27065309      7.24719593      2.07776839
  H     -1.33809580      9.62783706      2.47888386
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  H      0.86056520      3.60996537      3.54635044
  H     -1.01068203     10.70724391      3.53811422
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  H      0.64737695      4.68924207      2.46106111
  H      0.18364753      6.75536633      2.75229117
  O     -0.34132194      9.11033151     -0.76669227
  H      2.86819197      6.61545635     -4.32600591
  H      0.25224540      6.46006591      1.21453442
  O      1.46191445      6.44594803      5.59366689
  H      3.29757179      7.37140263     -3.04203119
  H      5.30835190      3.03875754      1.16812517
  O     -0.67035613      9.91560402      3.12849595
  H      1.53067563      3.25129502      1.22611700
  H      3.82072223      3.46510648      1.11298819
  O      0.75544370      6.44141237      2.03797108
  H      1.97767559      3.80397381     -0.15645560
  H      2.10723833      9.18116549      1.51388256
  O      4.70937818      3.74260494      1.40338396
  H     -0.53774580      7.34444416     -0.59621272
  H      0.83814987      9.96638694      1.93073234
  O      1.47733317      9.85366691      1.21691492
  H     -1.49722784      6.24056218     -0.06387693
  H     -3.94162027      5.91301975      0.69896672
  O     -3.07588867      6.25368982      0.90653279
  H      1.98826046      5.82140987     -2.11574108
  H     -2.78100007      5.79676620      1.71486002
          69
 Energy    -248.25045462403796     
  O     11.47638552     10.92871656    -11.19064342
  H     10.85765095     10.68006874    -11.88932256
  H     17.21193074      5.94982271    -15.53083788
  O     13.35172897      7.44517838    -15.12155892
  H     12.29605957     11.17657890    -11.63605460
  H     16.22441995     11.91365842    -14.67125252
  O     17.69658098      8.88729582    -16.82643132
  H     13.64255229      7.09190362    -15.97307879
  H     15.89957040     13.42726535    -14.64707628
  O     12.22925416      9.92161607    -14.70472602
  H     14.13528739      7.87955009    -14.74789049
  H     15.48694681      8.82760708    -13.12210429
  O     15.68995512      5.59041426    -10.13297388
  H     16.93191596      9.10256335    -17.37753678
  H     16.14960029      9.19539584    -14.46529030
  O     12.80095120      6.24054940    -12.70709336
  H     17.68576350      7.92855052    -16.72751141
  H     11.00234524      9.02832827     -8.67829568
  O     15.46075438      9.45610893    -11.41713125
  H     12.49538369      9.01307902    -14.90769462
  H     11.43930397      9.61592980    -10.04357429
  O     15.29104816      9.42631784    -18.23221394
  H     11.34885102      9.88458888    -14.31236359
  H     11.12503947      6.92030480    -12.16923695
  O     14.90352602      4.36745035    -12.41834589
  H     16.48486627      6.08891364    -10.36124076
  H     10.63850717      7.78517440    -10.98445085
  O     17.36906226     10.62063437    -14.77223185
  H     14.99141763      6.25036617    -10.02280328
  H     18.47449022      9.11573157    -11.96226552
  O     14.68357073      6.75844431    -17.41535588
  H     12.91421185      6.61359062    -13.59357710
  H     17.36658043     10.14463412    -11.79724572
  O     17.34701596      6.05362415    -16.48659981
  H     13.40299226      5.48922914    -12.64712442
  H     16.29732225      6.89400192    -13.91197788
  O     15.50296745     12.56262344    -14.58290547
  H     14.86674223      8.83741965    -10.96682229
  H     16.10055941      5.42502716    -13.41709032
  O     15.59785747      8.53233582    -14.03476639
  H     14.89965911     10.15324827    -11.79008728
  H     17.46752440      6.85027927    -12.20911137
  O     11.39919346      8.79897630     -9.51389536
  H     15.18546095      9.76726786    -19.11670548
  H     16.91887664      8.01492507    -11.35415398
  O     10.38951053      7.46526414    -11.86035407
  H     14.81176731     10.03426591    -17.64225648
  H     13.27635983     10.74998543    -16.00085698
  O     18.23126299     10.01584179    -12.20557686
  H     14.88157844      3.41628355    -12.35514840
  H     14.48263684     11.70508104    -15.96662955
  O     16.74192515      6.03919320    -13.79625111
  H     15.19411982      4.70330648    -11.55080183
  H     12.96076790      7.96838493     -9.98229215
  O     17.59072326      7.32182962    -11.37364028
  H     17.85313709     10.40444332    -13.96297694
  H     13.38765334      7.15664437    -11.23654640
  O     13.99371449     11.10570045    -16.54169133
  H     17.67218604     10.06015821    -15.50245355
  H     14.36958008     11.80041867    -13.30183124
  O     13.72137338      7.57915678    -10.43146628
  H     15.55396848      6.42092602    -17.17345107
  H     13.28616135     10.70937568    -13.43370061
  O     13.81554022     11.20051569    -12.78727728
  H     14.83960350      7.64109882    -17.77700924
  H      8.92963143      9.80383167    -13.45557887
  O      9.85575893      9.73860533    -13.23970208
  H     17.94509633      5.36049053    -16.75553060
  H      9.98381695      8.88107703    -12.79531776
          69
 Energy    -248.25034034701139     
  O     11.61835903     11.04709932    -14.04203809
  H     12.13521995     10.68697654    -14.77629243
  H     15.66519606      6.78760148    -15.48487828
  O     15.84997039      7.05566947    -13.73193070
  H     12.06625892     11.85800298    -13.77462643
  H     18.79847584      7.83204485    -13.36230361
  O     17.03286974     10.72746869    -10.64006786
  H     15.16440668      6.87593484    -13.07493789
  H     18.65890341      8.40980234    -14.79744676
  O     17.18089182     11.78677585    -14.62654016
  H     16.68805040      6.78954880    -13.33770218
  H     14.76729790     12.77187423    -16.25798739
  O     12.75575407      7.23047262    -16.42730235
  H     17.73663604     10.83715693    -11.28826863
  H     15.78416453     12.88939685    -15.11003774
  O     15.76989965      8.60986216     -9.43018653
  H     16.22709773     11.06223207    -11.05749814
  H     14.63433830      9.80394005    -14.77569611
  O     14.06696754      6.56152901    -11.68776016
  H     16.57277427     11.04668382    -14.46679585
  H     15.59844338      8.85528505    -13.99575268
  O     14.58589291     11.23342826    -11.93549470
  H     17.87565994     11.70529363    -13.96439271
  H     11.14166302      9.80757910    -12.95743073
  O     17.24853079     10.74797268    -17.21188914
  H     12.54809909      7.07924760    -15.48714098
  H     10.00140516      9.14840170    -12.14416341
  O     16.48807404      6.14888724    -10.13283165
  H     12.08975272      6.76906396    -16.92987346
  H     11.66561951      7.63439664    -13.35969189
  O     18.00068595      8.07204696    -16.57644500
  H     14.85685396      8.80271710     -9.67068264
  H     12.76113587      6.59268479    -13.10435494
  O     15.59488359      6.82568003    -16.45147743
  H     16.30232469      9.34268093     -9.77707105
  H     19.07214626     10.13918961    -13.12381721
  O     19.01054684      8.59097839    -13.91723593
  H     14.77470888      6.25108422    -11.11283258
  H     19.95305484     11.24802990    -12.50101595
  O     14.93333796     13.22675388    -15.42562117
  H     13.80630363      7.43491951    -11.35516464
  H     17.64921959      6.28417335    -11.51778390
  O     15.35627059      9.77842192    -14.13348080
  H     14.12493329     12.00423228    -12.28404330
  H     18.65553045      5.50658051    -12.39132145
  O     10.92420944      9.06271406    -12.36699835
  H     14.85266648     10.70299575    -12.70270198
  H     14.65907905     11.84113681    -18.67005323
  O     12.17035051      6.93073005    -13.78735783
  H     17.51892019      9.83455875    -17.06267677
  H     15.63776237     11.21423264    -17.64887599
  O     19.04868595     11.00895536    -12.68557923
  H     17.38625704     11.19954343    -16.36717017
  H     13.71157869      9.86940304    -11.14133803
  O     18.17330771      6.32861275    -12.33400715
  H     16.28244082      7.05805294     -9.84052590
  H     12.39608453      9.06897362    -11.19280426
  O     14.71941519     11.51452166    -17.77670996
  H     16.53243683      5.61388582     -9.34509101
  H     13.02016114     14.18806740    -13.10799552
  O     13.27459184      9.07770493    -10.79327184
  H     17.13099040      7.63585074    -16.60487433
  H     13.81775374     13.31154759    -14.10141720
  O     13.22592234     13.28376868    -13.32789703
  H     18.56111964      7.59663993    -17.18540116
  H     13.08942444      9.04096604    -16.27943500
  O     13.28124678      9.94072250    -15.98665128
  H     14.65321219      6.92559084    -16.62345716
  H     13.70463227     10.42476584    -16.70776853
          69
 Energy    -248.25025113417524     
  O     10.33575196     10.16873141     -9.43933390
  H     10.26764017     10.86860717    -10.11611395
  H     17.18758114      8.42787662    -12.46054589
  O     12.95346021      9.18267816    -17.55703265
  H      9.61577675     10.30749158     -8.82954511
  H     15.20141596      7.76733046    -13.75226057
  O     11.21452459      8.05563989    -10.95781579
  H     13.26221989      9.05839442    -18.45056096
  H     15.11764780      7.76491939    -12.20934471
  O     13.96571509      8.36623014    -15.06305097
  H     12.79706978     10.13744949    -17.44672227
  H     13.25461147     12.23157245    -11.25785504
  O     12.27852714     11.80749196    -17.18591714
  H     10.69769407      7.28010121    -10.75199442
  H     12.92330582     12.64411389     -9.81618976
  O     11.59661150      8.88636346    -13.67931058
  H     10.87487826      8.77737075    -10.40378467
  H     13.06210931      8.18621715    -10.82468557
  O     14.99100658      9.58585810     -8.55778371
  H     13.16403974      8.48688473    -14.53226576
  H     14.30322593      8.67708107    -10.00657617
  O     14.12125848     10.91144834    -12.06561088
  H     13.70350429      8.51171384    -15.98115595
  H     17.80496863     10.42060997    -13.28725216
  O     12.79675455     11.43489626     -8.44282372
  H     12.64258074     12.35654107    -16.48079927
  H     17.27594026     11.85478315    -13.11840324
  O     10.32341885     12.10196486    -11.29214617
  H     11.32751687     11.76714847    -17.02436577
  H     11.74546564     12.11436105    -14.18126226
  O     13.24250136     13.00131638    -14.75890012
  H     11.42145681      8.58273375    -12.78312110
  H     10.39260472     11.57474126    -14.72423698
  O     17.96221675      8.92134294    -12.13602670
  H     11.43227464      9.84091236    -13.69655947
  H     15.79891852     13.49724197    -11.99052654
  O     15.72527377      7.64152456    -12.95207661
  H     15.34705947      9.24303478     -7.74215275
  H     15.58181936     12.00121550    -11.76797364
  O     12.91546437     12.97080346    -10.72635661
  H     15.73959549      9.97812922     -9.04365954
  H     15.93834488     10.97696019    -14.51590507
  O     14.00845024      8.36664427    -10.87328176
  H     14.10404377     10.01935322    -11.70159353
  H     14.75858857     10.01095515    -14.91559862
  O     17.54326923     11.20618167    -13.78371881
  H     14.36911254     10.84741838    -12.99709474
  H      8.70393388     11.38685650    -16.73239774
  O     10.96486458     11.59297295    -13.94713859
  H     13.53995570     10.81860339     -8.43944695
  H      9.77608244     10.32409715    -16.38260296
  O     16.26186724     12.69279678    -11.73701550
  H     12.01694710     10.92030781     -8.67953253
  H     16.92918363     11.44112654    -10.45013155
  O     14.99020390     10.92382948    -14.70712020
  H     11.13766151     12.57019786    -11.06168224
  H     17.40110979      9.99261655    -10.68987302
  O      9.57982529     11.27844356    -16.37332492
  H     10.39957009     11.92363081    -12.23877779
  H     14.09663786     15.52671429    -12.36630162
  O     17.03206988     10.58332347    -10.02007687
  H     13.55482291     13.63944541    -14.10879111
  H     13.68783221     14.13987983    -11.82191700
  O     14.18894229     14.59033150    -12.52429707
  H     13.91972323     12.30631890    -14.80741821
  H     11.24534713      8.71816174    -16.79906523
  O     10.44145599      8.70346926    -16.26389617
  H     18.70138412      8.31972741    -12.16422209
  H     10.73993650      8.60323064    -15.34982650
          69
 Energy    -248.25010165356076     
  O     -7.66337778      2.89531421      0.48865508
  H     -6.97954997      3.35656652     -0.02547901
  H     -5.30498509      0.04993127      3.24565750
  O     -4.42853681      2.71466012     -3.09400124
  H     -8.46954683      2.96517839     -0.01540340
  H      0.30843747      1.75907523      1.90676842
  O     -6.22232462      1.10993613      1.93673002
  H     -4.85884434      1.90067961     -2.77720084
  H     -0.70365823      0.59904023      1.77150244
  O     -3.35709531     -1.70432767      1.61028896
  H     -4.79207479      2.89907302     -3.95668448
  H     -1.53497047      2.50533225      1.08241753
  O     -1.31669890     -0.51685577     -1.93713377
  H     -5.44458185      1.02651583      1.36225459
  H     -2.58067973      3.62465678      0.71310313
  O     -5.42798770      0.47372365     -1.92958268
  H     -6.83024405      1.72420787      1.49570420
  H      1.99384159      0.17668197      0.59099422
  O     -5.11894278     -2.98175795     -0.13980748
  H     -3.80714879     -1.40057381      2.41250784
  H      0.95617672     -0.95694430      0.59812346
  O     -3.80600541     -1.83102304     -2.21095982
  H     -3.97567028     -2.24046378      1.09883043
  H      2.54019795      2.69941229      0.96481472
  O     -1.76908899      2.22728472     -2.24182304
  H     -0.40739452     -0.65488055     -2.23012769
  H      1.51088755      2.20018549     -0.07473496
  O     -0.90559748     -0.88918496      0.80618305
  H     -1.51854926      0.41761933     -2.08749769
  H     -2.14377433      1.60315551      5.02886748
  O      1.47177947     -0.61875233     -2.38965769
  H     -4.83803702      0.61629476     -1.17082994
  H     -1.80016319      1.51837591      3.52823612
  O     -4.59797863     -0.43831329      3.68843297
  H     -6.21136491      0.06512434     -1.53910014
  H     -6.52365326     -1.63509865     -0.07367455
  O     -0.55301204      1.44909589      2.21493378
  H     -5.32442233     -3.89747735     -0.30840073
  H     -6.99075308     -0.34711284      0.62983398
  O     -2.11351553      2.84418101      0.38827390
  H     -4.62911817     -2.65446417     -0.91648922
  H     -3.30517124      1.46073433      0.41684029
  O      1.85119996     -0.73344252      0.30512816
  H     -2.90642989     -1.48268782     -2.16581917
  H     -3.62376259     -0.04703287      0.74750820
  O      1.79516103      2.11492417      0.85324364
  H     -4.38135292     -1.06214828     -2.31846913
  H     -3.73563899      5.79975211      1.54873983
  O     -2.53594206      1.55464326      4.15945612
  H     -2.60781967      2.44113178     -2.66610654
  H     -4.12459981      4.35407525      1.95106756
  O     -7.10612764     -0.87042615     -0.16972669
  H     -1.85843827      2.50785900     -1.31711599
  H     -5.13117567      3.73996632     -1.59162012
  O     -3.97231110      0.76682388      0.36262589
  H     -1.68077844     -1.33888466      1.17081017
  H     -4.93227242      4.44276085     -0.22273299
  O     -3.75912852      4.90138199      1.23140242
  H     -1.08023249     -0.75295269     -0.13577164
  H     -5.27718972      2.55600240      2.83120027
  O     -5.59897781      4.12230299     -0.84139751
  H      2.09081610     -1.13657865     -2.89657301
  H     -3.91114971      2.68707478      3.53927945
  O     -4.61820888      3.19632608      3.12388402
  H      1.69775404     -0.74532098     -1.45069407
  H      0.12176466      2.30735309     -2.04627948
  O      1.03039658      2.14409962     -1.76376340
  H     -3.92845597      0.21329979      3.92967639
  H      1.25940477      1.27362379     -2.11303430
          69
 Energy    -248.25008803984278     
  O      1.66336864      1.40723381      3.27633129
  H      2.46301518      1.73413875      3.67897435
  H     -3.76565808     -1.39179823      4.79901027
  O     -1.03222126     -2.13854507     -3.14454710
  H      1.23547242      0.81881248      3.92607315
  H     -5.09456601      3.37399224      0.03199827
  O      0.28453908     -0.28568337      4.86952881
  H     -0.67012189     -2.90296395     -2.67906000
  H     -4.66193935      3.01886216      1.47217804
  O     -2.52894349     -0.92909457     -1.06784101
  H     -1.72071280     -1.77955743     -2.56858662
  H     -1.99422888      0.63345019      7.32758827
  O      0.26495102     -4.04302661     -1.41551640
  H     -0.45571897      0.03867249      5.39788463
  H     -2.70174065      0.27471998      5.99951043
  O      1.93466644     -1.93636683     -0.99698588
  H     -0.04837724     -1.00304277      4.31820986
  H     -2.59965271      2.97756781      0.25325960
  O     -4.95827696      3.28581214      3.25481103
  H     -3.28742133     -0.61779383     -0.56177313
  H     -1.24887393      2.36007225     -0.20506883
  O     -3.23582635     -2.91880768      4.09421673
  H     -1.83197450     -0.26364560     -0.96790984
  H     -3.68024391      0.03557708      1.47053944
  O     -0.87869484      2.57799644      2.84164677
  H      0.74694311     -4.84697753     -1.58850182
  H     -4.57664832      0.90751547      0.57277996
  O      0.89874567     -0.22487193     -3.06029399
  H      0.92535799     -3.34921959     -1.23749481
  H     -2.94352031      0.13183126      3.53766658
  O     -5.85615810      0.56048800      3.35815976
  H      1.77178391     -1.43535774     -0.18717064
  H     -1.91600622      1.05825374      2.79563984
  O     -3.92077179     -0.46199033      5.02832891
  H      1.75965396     -1.32669772     -1.72453043
  H     -1.04362612     -3.60966128     -0.15989315
  O     -4.53541819      2.78805127      0.53766805
  H     -5.49052214      3.97621240      3.64254304
  H     -1.95174427     -2.36182488     -0.12317087
  O     -1.93654816      0.74171387      6.38142422
  H     -4.17454533      3.19057644      3.82543779
  H      0.49484458     -0.99245705      1.73009295
  O     -1.64398281      3.09328614      0.28766555
  H     -2.31375233     -2.84930296      3.83109089
  H      1.41436007      0.24540873      1.84038896
  O     -4.40883169     -0.00878195      0.82781528
  H     -3.72803335     -3.00103787      3.26264752
  H     -2.50399626      2.35017334      5.44514023
  O     -2.44594873      0.25468476      2.71814849
  H      0.04419702      2.31464301      2.91931572
  H     -2.02686387      3.01264772      4.14394688
  O     -1.67300505     -3.13259710      0.39367518
  H     -1.05244617      2.86514714      1.93200616
  H      0.07250844      0.63213997     -1.62367457
  O      1.06213094     -0.40216620      1.21742150
  H      0.21205970     -0.90052452     -3.20694768
  H      0.09920086      0.45097703     -0.08195349
  O     -2.75141850      3.00916509      4.78799868
  H      1.19945887      0.05705760     -3.91955944
  H     -1.03626367     -2.48119202      1.96067456
  O     -0.40838081      0.83490691     -0.81108447
  H     -5.61441886      0.24388523      2.48166397
  H     -1.40247172     -1.17235245      2.70379668
  O     -0.79285300     -1.92908305      2.71836740
  H     -5.64968203      1.50400973      3.35803865
  H     -3.47444170     -3.14742643      1.07239163
  O     -4.29187784     -2.89590221      1.52303067
  H     -4.72535210     -0.16652491      4.58134305
  H     -4.51893361     -2.02091974      1.19296965
          69
 Energy    -248.25004028585036     
  O     13.70332562      1.13642558     -8.91500192
  H     13.03423203      1.30702507     -9.59666070
  H     11.13547415      4.40268085    -13.70754425
  O     11.93270945      1.79413993    -10.95853862
  H     13.35560417      0.43927280     -8.36339835
  H     11.18950699      8.12731118    -13.95125572
  O     13.02862101      3.45641153    -15.82430677
  H     11.72102560      2.70200022    -10.69517582
  H     10.01712322      9.09512442    -14.23746191
  O     17.29592261      3.38316953     -9.87609899
  H     11.30060918      1.55520483    -11.64817830
  H     12.48545054      6.10370203    -13.14790785
  O     11.39001656      4.43854286    -10.37124964
  H     12.87160202      2.50563400    -15.73537102
  H     13.15785394      4.71584225    -12.99232184
  O     10.25212913      1.43660485    -13.19916501
  H     13.66914395      3.66772407    -15.12798156
  H     14.67844059      4.23748553     -8.45209968
  O     14.15736802      1.28308584    -12.65090950
  H     16.61186219      3.42249297     -9.18239482
  H     14.63659997      2.69783819     -8.31281732
  O     14.60668587      3.84474615    -13.54658127
  H     18.13952941      3.44470085     -9.43600098
  H     13.23365763      0.85453140    -14.24519430
  O     14.83045844      7.73013590    -12.36142273
  H     10.51164275      4.82671725    -10.28673745
  H     11.72193634      0.86778352    -14.45656268
  O      8.88061775      5.88163797    -13.30362966
  H     11.75266355      4.77625165    -11.20863058
  H     13.63435444      6.48016349     -9.48778222
  O     12.81320801      7.57901789    -14.19754484
  H      9.36625079      1.11494434    -13.34818088
  H     12.90338497      5.12179706     -9.61583509
  O     10.62560727      3.91036158    -14.36992086
  H     10.30152785      2.31606836    -13.61004869
  H     16.54448711      1.70648147    -10.47387388
  O     10.26953781      8.33972727    -13.71312776
  H     14.89763094      1.06089044    -12.06806648
  H     15.32352664      0.90764959     -9.98279685
  O     12.38083407      5.23558653    -12.74139539
  H     13.40035729      1.45894192    -12.07695930
  H     16.40690341      4.62457244    -10.98174520
  O     15.19419628      3.47125074     -8.16391304
  H     15.13329006      4.31107320    -12.88356082
  H     15.02792052      5.27479718    -10.75043580
  O     12.55665983      0.87079993    -14.93675582
  H     14.52993662      2.92446104    -13.25388490
  H      8.09457275      5.84921989    -10.21998637
  O     13.75496078      5.52627723     -9.40052013
  H     15.30509620      6.92155749    -12.13336101
  H      8.87197450      5.80151417    -11.55761366
  O     16.00703707      0.92814321    -10.66430015
  H     14.36373341      7.99177128    -11.55739639
  H     12.36737747      8.19659762    -10.31231138
  O     15.73803040      5.17954059    -11.40116832
  H      9.31536587      5.19511744    -13.82366996
  H     13.35734856      9.01230888     -9.44827510
  O      8.97328162      5.82894278    -10.58886817
  H      9.29765922      6.71788281    -13.55009022
  H     13.89897751      6.22899736    -17.24797901
  O     13.28633174      8.23216456     -9.99227651
  H     13.04702592      7.12857505    -15.02181615
  H     13.17405670      5.18215844    -16.39278773
  O     13.31399549      6.13566381    -16.49950332
  H     13.61141677      7.71747108    -13.66566053
  H     10.13843664      7.36302140    -10.67808278
  O     10.74189760      8.07598025    -10.91626886
  H     11.26753834      3.74137696    -15.07008382
  H     10.55787281      8.27492535    -11.84260847
          69
 Energy    -248.24999552836056     
  O     16.96560854      7.63765406    -15.55140512
  H     16.79367773      8.37508956    -16.16142370
  H     17.25418465     10.43151388    -17.13734425
  O     14.98867478     11.53710534    -13.90556400
  H     16.69428060      6.84764607    -16.01041713
  H     19.77554706     16.48533705    -15.57024452
  O     21.49017777     10.65708787    -11.77934169
  H     14.63303737     11.36006350    -14.78499335
  H     19.02595517     16.11870480    -14.26909473
  O     21.37556566     13.04685172    -13.23010211
  H     15.94688677     11.38798391    -13.95506048
  H     20.21830575     11.66105650    -16.03522889
  O     14.93944939     10.00762889    -11.54939475
  H     21.62409354     11.53027328    -12.17360001
  H     21.22596673     10.78267052    -15.24717268
  O     19.30163089     11.06784297    -10.21844672
  H     21.47549233     10.04712922    -12.52606733
  H     16.65064870      9.35241845    -11.26697000
  O     18.65827583      8.60698917    -13.64617441
  H     21.76243517     13.91199695    -13.40808685
  H     18.08120193      9.70419868    -10.78585658
  O     14.20927359     11.37615402    -16.60822304
  H     21.27182334     12.59719036    -14.08184198
  H     15.87031798     14.16820289    -16.74265221
  O     17.69944846     14.39940660    -16.60201393
  H     14.86411009     10.53227272    -12.36001398
  H     14.79897791     14.25634843    -15.64426681
  O     22.26405939     15.55009421    -14.05539319
  H     14.15658233      9.46139108    -11.52074898
  H     20.64883234     15.25459511    -17.19002198
  O     18.47909052     11.73664044    -16.54291970
  H     19.55428988     11.11733420     -9.30014122
  H     20.18423839     16.34982967    -18.18063795
  O     16.52943248      9.79400265    -17.17742329
  H     20.10787419     10.84593663    -10.71898625
  H     18.03168653     14.29853284    -13.20476576
  O     19.81260549     16.56454824    -14.60866152
  H     18.26814233      8.59521130    -12.75827354
  H     16.67601661     14.82788432    -13.72983986
  O     21.09640392     11.66060559    -15.62692157
  H     18.05372387      8.17979931    -14.27099690
  H     22.20431138     14.63694768    -15.76384793
  O     17.55535684      9.01567557    -11.20943970
  H     14.45656061     12.31500889    -16.68824163
  H     21.74565023     13.29025048    -16.36771737
  O     14.93797905     13.98635299    -16.55971550
  H     13.39280283     11.26617660    -17.08824330
  H     21.69462354      8.38680534    -14.47043307
  O     19.92553533     15.87371368    -17.39658053
  H     17.72392942     14.55374944    -15.64634114
  H     20.31181868      8.93222353    -14.04471585
  O     17.63141739     14.91079637    -13.83811749
  H     18.40033802     14.93640867    -16.99146164
  H     18.10262388     11.79471034    -13.34072183
  O     21.91590443     14.21602670    -16.58336812
  H     22.85971637     16.22842035    -13.75026198
  H     18.02106019     10.30269781    -13.81335000
  O     21.23291579      9.18693644    -14.23297256
  H     21.39516720     15.97190087    -14.18487023
  H     14.88396860     13.31967225    -13.67852094
  O     17.69259691     11.19644366    -13.97780532
  H     18.17422635     11.52942147    -15.64489424
  H     14.20362419     14.56789462    -13.07164266
  O     14.87508351     14.29159591    -13.69034079
  H     18.21700081     12.65205187    -16.70654037
  H     18.86536063     12.45205632    -11.41476784
  O     18.82935031     13.00759172    -12.20299959
  H     15.72103441     10.30331409    -17.04693324
  H     19.73783932     13.07894521    -12.53503615
          69
 Energy    -248.24993170882428     
  O     18.10203766      8.49679624    -11.97059469
  H     18.39292153      8.10529505    -11.13560940
  H     12.33729563     10.68163081    -12.90877507
  O     11.59999885      7.90827116    -11.38251200
  H     17.16099467      8.70375010    -11.86366142
  H     17.81507557      4.45253602     -9.41499287
  O     11.49502603      7.92973153    -14.23838001
  H     11.48176434      7.85149897    -12.33973130
  H     16.48994623      5.15379446     -9.04163797
  O     17.45628958      6.68642508    -13.92488145
  H     11.66583272      8.85039765    -11.18575515
  H     13.16045954      7.10605559    -10.98450856
  O     18.65029096      7.41360740     -9.47581967
  H     10.81118599      7.60083581    -14.81539956
  H     14.57373592      7.63632260    -11.31195800
  O     18.41460916     10.09265564     -8.64310280
  H     12.32685002      7.50992358    -14.52255171
  H     19.37964527      4.73302126    -10.95802320
  O     15.93794795      7.01022300     -8.86378380
  H     17.78091459      7.30954639    -13.25606253
  H     20.41831713      4.38081334     -9.86568676
  O     13.85911949      6.85563806    -14.96915903
  H     16.66765414      6.25313437    -13.56514075
  H     18.46064241      5.18623947    -13.15274698
  O     16.09582237     12.38922244    -12.15205753
  H     19.09671833      6.56705418     -9.59718514
  H     17.95784531      3.92725699    -12.41685477
  O     16.19219793      8.41840423    -15.66026404
  H     17.72470687      7.22033060     -9.26628827
  H     15.29713991      9.50169713    -12.70179933
  O     15.26757376     10.62923429    -14.13329901
  H     18.53572899     10.59035429     -9.46496383
  H     15.11819693      9.71207105    -11.18118482
  O     12.57801022     10.51054234    -13.82738231
  H     18.69906103      9.18877005     -8.83253477
  H     17.78483825     11.66648149    -11.54358962
  O     16.86104809      4.31760613     -9.34668157
  H     15.81176052      7.88723948     -8.48453381
  H     18.53609942     10.32501876    -11.60692918
  O     14.09953793      6.88123353    -10.92773072
  H     15.24169865      6.89988597     -9.52872380
  H     15.04006634     10.76265863     -9.34317124
  O     19.60060270      4.84680980    -10.01638129
  H     14.25783256      6.23599567    -14.34290931
  H     15.17071081     11.66396422    -10.63912465
  O     18.74118808      4.47164219    -12.56972456
  H     14.57957953      7.39957598    -15.30474625
  H     15.47614995      4.53630592    -12.64244465
  O     15.40621554      9.07210366    -11.84399529
  H     15.85145089     11.82812569    -12.90707958
  H     14.74102414      5.83451723    -12.22524453
  O     18.54888448     11.19755404    -11.19120998
  H     16.10079329     13.28816580    -12.47275587
  H     16.78185028      9.94708922     -8.18308091
  O     14.57646920     11.10657178    -10.11907157
  H     16.71948527      7.81695970    -15.10781632
  H     15.71085624      9.97520532     -7.06525383
  O     15.16222312      5.38597574    -12.97340945
  H     16.58145677      8.39647392    -16.53143782
  H     12.87957848     10.90571902    -10.64249248
  O     15.83642781      9.79723191     -7.99394650
  H     14.29532259     10.62455429    -14.14738463
  H     11.39934166     11.34019374    -10.58281593
  O     12.00235327     10.74972464    -11.02829042
  H     15.59048103      9.96969277    -14.75832959
  H     16.44076393      3.53891841    -10.85890100
  O     16.32864424      3.16255468    -11.75055457
  H     12.15606109      9.67157155    -14.05327523
  H     16.08487795      2.24822327    -11.63605609
          69
 Energy    -248.24985843642847     
  O     10.67003133     11.30410388    -12.16000736
  H     10.13894322     12.06395590    -12.38495183
  H     19.59239293      5.90722102    -15.14559825
  O     14.29242268      6.90609684    -14.93809725
  H     11.40429165     11.29552454    -12.79399075
  H     14.88383325     12.56421350    -16.26902917
  O     17.00519657     11.16950830    -11.01252235
  H     14.58716575      6.87088171    -15.85512904
  H     15.56632864     11.34030187    -15.61977064
  O     17.56740814      8.35443368    -16.69886012
  H     14.89045992      7.51482162    -14.47697280
  H     15.43783168      9.15938199    -12.87777832
  O     12.06226903      8.57542255    -14.97648773
  H     17.21577498     10.52218254    -10.32816523
  H     16.31570903      9.24321869    -14.15291195
  O     15.55552948      7.13937834     -9.45701720
  H     16.08738448     10.99221954    -11.26154097
  H      9.80702339      9.00516062    -10.12591953
  O     13.35994340      6.04797318    -12.45841713
  H     16.76593133      7.99140743    -17.09352167
  H     10.53328044      9.81132117    -11.22878455
  O     14.49873835     10.28531517    -11.81453090
  H     18.01425637      7.61678165    -16.25990104
  H     19.12004426      9.11110310    -12.15706938
  O     15.04578844      7.37890910    -17.62024710
  H     11.43590488      8.13727322    -14.38419827
  H     18.67726314      7.63858231    -11.98319851
  O     15.67996972      5.04721056    -11.14568362
  H     12.83475534      7.99298252    -15.00966335
  H     11.50119458      6.60767867    -12.77089850
  O     17.06948063     10.53434408    -15.21074623
  H     16.24723830      7.80804143     -9.38527576
  H     10.55771907      7.70449734    -12.23776035
  O     18.71455696      6.25998355    -15.27032014
  H     14.73534748      7.59473877     -9.68836403
  H     18.14760873     11.03235727    -12.31585496
  O     14.70352587     11.72667513    -15.84918079
  H     13.65519273      6.22927214    -13.36227442
  H     19.50232629     11.47851520    -12.91607198
  O     15.89780114      8.62715528    -13.53861186
  H     14.08155740      5.56898230    -12.03287735
  H     16.91136809      7.25799579    -13.02500259
  O     10.51419744      8.95719580    -10.76395376
  H     14.02886127      9.60203890    -11.31635116
  H     16.92150061      5.90127690    -12.27401812
  O     19.15719638      8.35996113    -11.55357763
  H     13.89435927     10.61440088    -12.49211917
  H     18.28906824      9.01754250     -8.56131561
  O     10.74321134      7.15655203    -13.00951144
  H     14.84653120      6.93615045    -18.44087576
  H     18.28608240      8.71856367    -10.07913914
  O     18.79215639     10.85078145    -13.02468235
  H     14.47943106      8.17019568    -17.58222985
  H     12.77458800      9.26896134    -16.60540109
  O     17.46916898      6.49793933    -12.79616202
  H     15.79334696      4.22673204    -10.67367060
  H     13.86626973     10.32348743    -16.87203653
  O     17.72351159      8.98176255     -9.32867140
  H     15.67277192      5.75899854    -10.47856304
  H     12.27891495      8.42461725    -10.53676870
  O     13.43867405      9.54627329    -17.25069883
  H     17.35147821      9.81741971    -15.80444549
  H     13.23849182      7.45796970    -11.28240308
  O     13.20472980      8.16732923    -10.62374187
  H     17.75431893     10.68607710    -14.54734141
  H     13.41364137     11.37239201    -14.54183422
  O     12.79537507     10.99836899    -13.90302170
  H     18.29596035      6.24378343    -14.39588628
  H     12.50860918     10.14283983    -14.25994183
          69
 Energy    -248.24985536627304     
  O     -1.45339995      4.05331743      2.70109652
  H     -0.94787744      3.36889937      3.15878642
  H     -0.77470310      8.28897357      0.62865341
  O     -2.91812298      5.68339348     -0.78870744
  H     -2.06834815      3.63346172      2.08467340
  H      1.73342881      1.80945363      1.24356320
  O      3.77623848      7.48216867      1.11306145
  H     -2.05506323      5.71803050     -1.22782875
  H      0.38764558      1.20182199      0.82304562
  O      1.53942574      6.85963318      2.51222826
  H     -2.91779933      6.40668898     -0.15019753
  H     -0.45613941      2.91924780     -3.31034561
  O     -0.34516619      5.68622382     -1.76144972
  H      4.70831838      7.64038121      1.23542125
  H      0.00867272      4.11004901     -2.43756319
  O      2.60195414      3.37254862      0.72703283
  H      3.68319880      7.07715715      0.23450640
  H      0.78312028      8.28698864     -1.13698240
  O      0.34457263      5.01662576      0.77129415
  H      1.77478818      6.03897623      2.97465757
  H      1.09463127      8.86962163     -2.53773784
  O     -2.55714608      7.76417145      1.10142359
  H      2.35597698      7.16117187      2.08309320
  H     -2.47090160      1.04518568     -3.03256000
  O     -0.79001964      1.68422626     -0.52455526
  H     -0.07084703      5.47698479     -0.85201388
  H     -1.96912941      0.70053162     -1.62448850
  O     -1.26469811      6.76589628      3.25736873
  H      0.08986519      6.51084661     -2.00697167
  H      2.63068652      4.00461984      2.58849682
  O     -2.92161134      3.21502534      0.52196501
  H      1.79452547      3.90973886      0.72452679
  H      1.62993359      3.68970697      3.70923111
  O      0.15935299      8.47676450      0.47370569
  H      2.91149569      3.38686438     -0.18442443
  H     -4.38287353      3.25580269     -2.22395723
  O      1.05457507      1.17951018      1.52222807
  H     -0.29554215      4.62743430      1.38072774
  H     -3.71579734      4.64307924     -2.16596720
  O      0.23313686      3.20185949     -2.69692262
  H      0.77565915      5.73050275      1.26011548
  H     -2.73081619      3.10204204     -3.73043311
  O      1.07202196      8.05758445     -2.03946310
  H     -2.16231153      7.40950567      1.91861129
  H     -2.27792548      2.58891309     -5.11687338
  O     -2.67811010      0.51210603     -2.25529106
  H     -3.17695497      8.43826027      1.36923027
  H      0.31820810      1.61273998      4.58646376
  O      2.25477075      4.35810008      3.40537413
  H     -0.36122343      2.19999876     -1.21983767
  H      0.57316130      1.77388467      3.06684791
  O     -3.94987634      3.92557229     -2.76810055
  H     -1.48090381      2.24289568     -0.14282380
  H      2.00273568      3.41712623     -2.36860757
  O     -2.06593157      2.55621867     -4.18773633
  H     -1.39541237      5.80745932      3.20175682
  H      3.48926249      3.19781104     -2.71687064
  O      0.30899534      2.24842560      3.87658574
  H     -0.31243879      6.90710314      3.20756836
  H     -5.53707960      1.22884618     -0.94013533
  O      2.90886213      3.64175485     -2.10275554
  H     -3.63775600      2.69877951      0.13289263
  H     -4.08545707      1.22145202     -1.47980989
  O     -4.76232339      1.77318517     -1.04778986
  H     -2.94176669      4.08437723      0.09559993
  H      3.16022301      5.51346549     -1.65860287
  O      3.31183231      6.41822512     -1.36519649
  H      0.63516419      8.12208544      1.23199060
  H      2.58657596      6.95327326     -1.71089063
          69
 Energy    -248.24964642761233     
  O     -0.58762310      3.63281388      3.14266719
  H     -0.70971449      3.19848815      3.98224800
  H      0.09099822      8.88541707     -0.32190922
  O     -2.74960787      5.93152319     -0.04085574
  H      0.24069846      3.28140693      2.76142950
  H      0.51204572      1.30897925     -0.68428482
  O      3.75748913      7.16841118     -0.11560283
  H     -2.55879201      6.68908357      0.52414366
  H      2.02759943      1.61124216     -0.82799869
  O      2.11706243      8.09668185      2.07898721
  H     -2.35191771      6.08753397     -0.90802824
  H      0.30497809      4.52613347     -1.45170913
  O     -1.76163038      6.13656751     -2.67589045
  H      3.80744013      6.22663781      0.10242432
  H     -0.37128210      3.26591330     -2.04667321
  O      3.49968949      2.58905163     -1.66102392
  H      3.25186749      7.56738880      0.60155410
  H      1.12640693      7.68127496     -2.24734879
  O      0.75328742      5.57935272     -0.08347764
  H      2.54134727      8.37458879      2.88791781
  H     -0.41476766      7.35676799     -2.24413023
  O     -2.06123332      7.98419734      1.74638684
  H      1.47441292      7.41241320      2.32626858
  H     -4.10775916      2.21455791     -1.80347033
  O     -1.20508647      1.87933059     -1.25467520
  H     -2.57545359      5.82353889     -3.08883055
  H     -3.72582528      3.06807128     -3.02466034
  O      0.03923815      6.28559351      2.54436534
  H     -1.15478627      5.37928375     -2.65804485
  H     -5.28982390      4.17261670     -0.62043439
  O     -2.29849082      3.36058665      0.90281969
  H      4.22787322      2.10601860     -2.04281383
  H     -4.47966385      5.47609016     -0.57314901
  O     -0.01501259      9.26413381      0.56316079
  H      3.22280112      3.24767459     -2.32204372
  H     -4.65782822      5.01442919     -2.65709485
  O      1.36695647      1.21857504     -0.24477055
  H      0.66068409      6.40338469     -0.58015548
  H     -4.81086471      5.09671126     -4.19462147
  O      0.02997397      4.11123237     -2.28393740
  H      0.43469422      5.75182505      0.80943156
  H      2.33349379      3.34635916      1.69857143
  O      0.29848324      7.79672717     -1.76227537
  H     -1.38028495      8.53001707      1.31146439
  H      1.51692241      2.10848845      1.30507188
  O     -3.58222690      2.20823372     -2.61352778
  H     -2.66544223      8.58205332      2.17766378
  H      1.63186665      4.35685078     -3.12824032
  O     -5.24578393      5.06152658     -0.99451783
  H     -1.97469896      1.84503929     -1.84103144
  H      2.71865770      5.45383466     -3.17410304
  O     -4.17760880      4.93365490     -3.50025805
  H     -1.50381168      2.33548673     -0.45584685
  H      2.40138501      4.84024311      0.21202886
  O      1.65245963      2.74689776      2.02228430
  H     -0.76442745      6.80566549      2.41120263
  H      3.46330933      3.80702657     -0.24059609
  O      2.56651143      4.51472192     -3.32764263
  H     -0.21382465      5.41098639      2.86729799
  H     -3.91378465      2.69213835      0.42147855
  O      3.27402871      4.47668729      0.42981812
  H     -1.75429692      3.40116398      1.69734259
  H     -5.12152405      1.73601438      0.54457165
  O     -4.76180442      2.44445653      0.01691448
  H     -2.40319016      4.26776923      0.57866312
  H      3.25258535      7.29012202     -1.78306160
  O      2.89337612      7.30996826     -2.68860484
  H      0.79042431      9.04681785      1.04765177
  H      3.48197054      7.85419161     -3.20552308
          69
 Energy    -248.24963644823049     
  O      1.70470774      2.46916828      2.56542448
  H      2.17764489      1.64963174      2.75225311
  H     -1.30110337     -3.20081687      4.31211774
  O      1.62016320      3.19654420     -0.21237077
  H      1.84878177      2.67935306      1.63409130
  H     -4.36486531     -0.80114035      6.00640724
  O     -1.01862526     -1.44803886      4.78843867
  H      1.96134803      3.99770955     -0.60065225
  H     -3.96254590     -1.04180686      4.54220945
  O      0.83097118     -3.64651882     -2.41041971
  H      0.65258784      3.30295072     -0.15201276
  H     -2.68452086     -0.11130842     -0.08892921
  O     -2.10376110     -0.74394352     -3.63347210
  H     -1.86936212     -1.22119815      5.18908171
  H     -2.81862186     -1.58861551      0.37973120
  O      0.74164653     -1.11417950     -3.35702624
  H     -1.00540190     -0.98839004      3.93583764
  H     -2.28005457     -3.32714106     -1.65630033
  O     -3.59388365     -4.29668429      2.44806268
  H      0.87295056     -2.73990721     -2.76572140
  H     -1.10403701     -3.52739036     -2.62062791
  O     -1.71754597      0.82959316     -1.33422283
  H      1.36698757     -4.18923608     -2.98238359
  H     -1.07918357      0.86327599      2.57621632
  O      1.09606489      0.63054381     -1.22434101
  H     -2.16348247     -1.64816098     -3.27567349
  H     -1.79540329     -0.29696309      1.81702472
  O     -4.44808904     -1.58537276      2.91284230
  H     -2.67559443     -0.71161436     -4.39548611
  H      0.80753319     -2.51868884      0.57889075
  O      1.24413163     -4.38463445      2.85286339
  H     -0.17054416     -0.91639945     -3.60090461
  H      0.69513577     -3.56941819     -0.56764109
  O     -1.37659531     -4.09006841      3.93858439
  H      0.98405852     -0.45879589     -2.68752883
  H      0.80310161     -1.76899346      4.70785490
  O     -3.61351112     -0.81062666      5.42016392
  H     -2.81074202     -4.26908058      3.02888789
  H      1.62377769     -2.81163021      3.92294805
  O     -3.05005709     -0.67556736      0.60515657
  H     -4.08531292     -5.07934480      2.68054800
  H      0.41431765     -0.58697155      1.52998741
  O     -2.02665616     -3.24861213     -2.58641789
  H     -1.96221985      0.39775672     -2.16253854
  H      1.95734588     -0.64599914      1.65132671
  O     -1.03810422     -0.08111491      2.37802126
  H     -0.75523024      0.74881642     -1.27139301
  H     -0.00143894      2.64622203      2.84263219
  O      0.53001927     -3.42485749      0.37274362
  H      1.39369544      1.51528120     -0.98213700
  H     -1.25090627      3.09542421      3.64803041
  O      1.69676682     -1.97761016      4.40137982
  H      1.19915170      0.07696848     -0.43642061
  H      3.93869178     -0.10294294      3.25141451
  O      1.22112470     -0.86652707      1.06875311
  H     -4.13570951     -1.14321139      2.11391282
  H      2.56196104     -0.70543591      3.61565017
  O     -0.97643134      2.65276590      2.84953426
  H     -4.26246957     -2.52281968      2.77888974
  H     -1.34235811     -3.39743971      0.35313184
  O      3.00853369     -0.04881903      3.04969403
  H      1.78459100     -5.16783907      2.78446555
  H     -2.75982269     -3.74652640      0.91160132
  O     -2.29065685     -3.31554385      0.18572752
  H      1.01664120     -4.12158484      1.94574750
  H     -1.22373845      3.07335367      0.99480845
  O     -1.07930684      3.23601387      0.05394025
  H     -0.49605733     -4.31634294      3.62015104
  H     -1.48487477      2.50229623     -0.42545493
          69
 Energy    -248.24962299965867     
  O     21.52941502     11.03097345    -15.89553526
  H     22.36571507     10.57673569    -15.95424299
  H     18.89923276     11.01470339    -17.73445590
  O     15.96246800     17.63820562    -16.37774385
  H     21.72350620     11.98380121    -15.95130461
  H     13.80033305     10.46644934    -13.17213102
  O     21.58453146     15.02664466    -13.55206754
  H     16.51299473     17.28328214    -17.09810782
  H     15.31808894     10.66476943    -13.40357821
  O     14.93139477     13.35763097    -14.67289878
  H     15.59205801     18.45627207    -16.69976983
  H     21.08081773     16.56531078    -14.61747823
  O     17.38464008     10.85031691    -16.65716870
  H     20.81738401     14.45152754    -13.38891390
  H     19.79938914     17.34913308    -14.92851480
  O     16.87870109     10.90513932    -12.67836902
  H     22.10233217     15.02808771    -12.75098891
  H     16.18759015     13.62447930    -13.32537143
  O     15.17766105      9.26534631    -16.17358388
  H     15.33138199     13.33247710    -15.55498368
  H     16.64160862     14.66514644    -12.28120801
  O     21.95998110     13.70482452    -16.03338738
  H     14.63269105     12.46471894    -14.46872760
  H     18.47250514     10.87405644    -15.22557865
  O     20.18156852     15.57050863    -17.40348978
  H     16.98974196     11.71435840    -16.83653309
  H     19.97717964     10.81028411    -14.88418594
  O     14.58662470     16.13575325    -14.34147390
  H     16.65804917     10.21839746    -16.57897640
  H     16.47912546     14.10910049    -20.51611923
  O     19.40232570     13.38517814    -13.33855122
  H     16.89199215     11.83711767    -12.42478500
  H     17.75830403     14.02676265    -19.64443569
  O     19.73654124     11.26426681    -18.14779504
  H     17.67582878     10.75786851    -13.20311304
  H     17.50103783     17.00578308    -13.62661630
  O     14.44903166     10.65617165    -13.84511976
  H     14.91464734      8.35002931    -16.11354066
  H     17.28516437     17.46434532    -15.09114777
  O     20.70238836     17.19983277    -15.23874414
  H     14.83657262      9.69742348    -15.37616146
  H     18.52149451     16.46625241    -18.12620753
  O     16.77609030     13.75400489    -12.56692214
  H     21.97219760     14.16887555    -15.18673710
  H     17.26761522     15.92976773    -18.84248068
  O     19.10086855     10.89987631    -14.48781193
  H     21.50092565     14.29100162    -16.64379580
  H     15.58538198     16.42581065    -12.95558287
  O     16.81956325     14.29573032    -19.64622132
  H     20.50830819     16.27058719    -16.81889327
  H     15.89812166     17.05380690    -11.57270474
  O     17.95405642     17.15282131    -14.46576044
  H     19.52072991     15.10110435    -16.86914970
  H     18.15767724     15.49156505    -15.22622125
  O     17.59432658     16.65921673    -18.29981721
  H     14.56177184     15.18550813    -14.51809864
  H     18.74586026     14.09767401    -14.91362201
  O     16.26996725     16.51524848    -12.26569278
  H     14.94490996     16.56277894    -15.12917678
  H     19.86335448     14.33772655    -18.87113816
  O     18.31878674     14.61655567    -15.60488836
  H     19.37884430     12.48173378    -13.68579166
  H     19.58588673     12.81644198    -19.02419663
  O     19.41436864     13.68526184    -19.41944854
  H     18.53008908     13.56565975    -12.96046779
  H     16.36939185     13.67222921    -17.95455370
  O     16.34089782     13.39661466    -17.03128635
  H     20.40894846     11.11679454    -17.47424637
  H     17.05559304     13.86642104    -16.57169689
          69
 Energy    -248.24935511053417     
  O     14.83183253     10.37474047    -12.78461329
  H     14.00486266      9.87581809    -12.74824512
  H     17.26738506      2.05281048    -11.33851763
  O     19.16466531      6.48488704    -14.44362338
  H     15.16342895     10.29768580    -13.68783264
  H     17.52365236      5.51052133    -11.93051894
  O     12.75330270      3.85982880    -11.55144722
  H     18.81185213      7.34636400    -14.15920804
  H     18.50387644      5.36870742    -13.12481809
  O     14.25235787      1.71064747    -10.63445727
  H     20.07728390      6.62734616    -14.68116989
  H     14.23978828      5.44989588    -13.72579247
  O     17.16495897      5.29997930    -16.15265182
  H     13.14634970      4.01367345    -12.42308164
  H     14.61753653      4.03158513    -14.15888380
  O     15.39739502      7.39442123    -16.01682754
  H     11.90158431      4.31645493    -11.54821488
  H     14.26609437      7.58166506    -13.04185735
  O     18.12028191      8.85884076    -13.62688100
  H     14.71256596      2.14225231     -9.90591744
  H     15.60733870      6.90800601    -12.62796049
  O     10.64095481      5.63235998    -11.71470458
  H     13.59977032      2.35384829    -10.94643773
  H     16.04408435      9.82362638    -11.66416227
  O     15.85865419      3.32215272     -8.81799745
  H     16.86847210      4.52893954    -15.65370324
  H     17.05524196     10.15788261    -10.54210545
  O     16.10467706      9.94900385    -15.33450354
  H     17.90077461      5.67199698    -15.64989850
  H     13.62604045      7.44369231    -16.51815966
  O     16.10048573      1.06522190    -12.52152088
  H     15.99557010      6.67549067    -16.26339090
  H     12.50336611      7.30522801    -17.55712578
  O     17.66366180      2.70563835    -10.74878128
  H     15.25566613      7.28431626    -15.06270988
  H     11.89189385      6.86982463    -15.10437956
  O     17.98466307      4.86522912    -12.48631757
  H     17.50613208      9.28723812    -14.23627088
  H     12.32826154      5.70445671    -14.20720506
  O     13.85660066      4.58855668    -13.95176449
  H     17.78977093      9.05182831    -12.74309203
  H     16.25468713      2.48329533    -13.75556048
  O     14.98417836      7.01567418    -13.35469728
  H     11.04332877      6.27775511    -11.12224830
  H     16.87438850      3.88434386    -13.59570930
  O     16.76338172      9.45708878    -11.11893888
  H     10.80471066      5.95348696    -12.61159841
  H     15.74496504      6.33680611    -10.57149787
  O     12.66484879      7.49420949    -16.63562648
  H     16.55834063      3.13340856     -9.46948935
  H     16.58143662      7.63694614    -10.89891706
  O     11.73708901      6.46880966    -14.23703628
  H     16.19194154      3.03982885     -7.97052900
  H     12.29392710      7.88162024    -13.16215450
  O     16.33249384      3.34262028    -14.18801076
  H     16.14349275     10.55381248    -16.07108891
  H     12.58381593      8.18692980    -11.66322899
  O     16.50375205      6.68697890    -11.05762391
  H     15.85357589      9.08256303    -15.69647083
  H     13.04536269      6.69987366     -9.86826015
  O     12.76692609      8.47943406    -12.56573550
  H     16.10944151      0.12379209    -12.67213706
  H     12.06270445      7.66943878     -9.17611962
  O     12.33604275      7.34250622    -10.03005898
  H     15.38487226      1.23920052    -11.88407810
  H     14.84158717      4.76562608     -9.36506395
  O     14.31710940      5.40371074     -9.86660578
  H     17.93218795      3.44026134    -11.31730952
  H     13.78807921      4.87696310    -10.48574832
          69
 Energy    -248.24851440727929     
  O      9.58040886     10.99103480    -10.99718932
  H      9.74769496     10.90424494    -11.94267905
  H      9.22557326      8.79731566     -8.76221643
  O     14.63674998      8.34578165    -16.35142866
  H      9.77348301     11.90189755    -10.74328586
  H     12.60126144     11.98671766    -12.20017014
  O     12.21480763      8.55828527    -10.63658201
  H     13.69802776      8.08766713    -16.31959909
  H     11.59454474     11.85309190    -13.36519264
  O     14.88534602      9.29143144    -13.68923950
  H     15.06731126      7.74598693    -16.95420816
  H     16.18211496     10.87540171    -10.68770098
  O     12.41386549     12.49570794     -8.40632380
  H     11.39761300      8.62115258    -10.12659874
  H     16.20673880     12.34406347    -11.24740988
  O     13.62210468     11.02975951    -16.60424513
  H     12.55181872      9.46483280    -10.73254105
  H     15.55819899      8.73155773    -10.44527828
  O     12.24339572      8.44066366    -13.35314974
  H     14.88220224     10.24894473    -13.83413929
  H     15.68467149      9.06468662    -11.96727996
  O     14.35202606      8.09571866     -9.02472636
  H     14.97357120      8.88678854    -14.56176691
  H     11.35686850     14.50855934    -10.99188357
  O     13.21926894     11.14915513    -10.74720157
  H     13.28819480     12.89924333     -8.32923259
  H     12.08444547     14.07635943    -12.26424655
  O     12.43674735      9.89694671     -7.56025539
  H     12.43804323     11.63386067     -7.96229334
  H     15.73967320     14.21648647    -12.06015672
  O     14.68542059     15.01721273    -10.95587935
  H     14.05914728     11.50066136    -15.88254710
  H     17.09034041     14.19333282    -12.81781229
  O     10.04622951      9.19119633     -9.04469178
  H     14.05731726     10.16995032    -16.65108629
  H     10.39620347     10.60263600    -14.70152141
  O     12.30653361     12.40680694    -13.02273159
  H     13.14853507      8.76269293    -13.47088527
  H     11.00516735      9.77654251    -13.55834237
  O     15.96272387     11.79867838    -10.48943000
  H     12.14547701      8.27785850    -12.40636435
  H     15.69962624     13.63328612     -7.85315407
  O     16.10443422      9.17602110    -11.10363462
  H     13.58616712      8.09569469     -9.62406450
  H     15.43688800     12.82685003     -9.14632697
  O     12.02010004     14.80123907    -11.62659399
  H     14.45625286      7.19849644     -8.71486596
  H     13.84971338     12.23520885    -13.85802571
  O     16.33960212     13.65404019    -12.58502416
  H     14.17408788     11.29198536    -10.73257641
  H     15.34962575     12.61456572    -13.77308102
  O     10.41475948     10.52325970    -13.73924146
  H     12.86198766     11.60244767     -9.97279819
  H     10.51899835     10.94727629    -17.28563427
  O     15.03992255     13.45647993     -8.51908364
  H     13.13507342      9.34316579     -7.92582475
  H     11.87637548     10.80427773    -16.56180721
  O     14.72650413     12.03033622    -14.21911304
  H     11.60971821      9.59806274     -7.96103052
  H      9.64539606     13.93584012     -9.19340421
  O     10.93362212     10.56311559    -16.51768408
  H     14.74503954     14.66530641    -10.06212826
  H     10.99355551     13.18084530     -9.21204602
  O     10.26124775     13.49172652     -9.77162204
  H     13.74285553     15.03974611    -11.18107951
  H     11.48944638      8.69083941    -16.33916612
  O     11.96370456      7.89480416    -16.07059219
  H      9.82060335      9.85237223     -9.72551838
  H     11.95126846      7.90738194    -15.10220855
          69
 Energy    -248.24837243067935     
  O     17.24618973     10.38729529    -16.70773261
  H     16.35132452     10.75731235    -16.63729595
  H     20.38283229      8.73381119    -15.94935849
  O     16.53068679     12.93276067    -10.51673841
  H     17.85944928     10.99240374    -16.27819830
  H     17.58569677      7.56977665    -15.14514713
  O     19.50124170      8.05075899    -13.02337760
  H     16.88957887     12.58161478    -11.34832769
  H     17.33828271      9.08141831    -15.45548557
  O     15.15223158      6.52758769    -17.69540823
  H     16.72995934     13.86555967    -10.50476383
  H     14.59984223     11.36283948    -15.39460820
  O     14.42147625      9.35493291     -9.17524802
  H     18.72880660      8.24634654    -13.57957201
  H     14.20936550     10.37680366    -16.50944154
  O     14.80234694      8.16786377    -13.82222500
  H     19.50224830      7.09620593    -12.88211007
  H     16.38023843      8.28957420    -11.25462143
  O     17.33703374     11.64875439    -12.84520241
  H     14.84394215      6.16185916    -18.52053902
  H     15.04200819      8.16671534    -10.49731858
  O     19.11040786      5.26428199    -12.83180425
  H     15.94614665      7.05250406    -17.90126526
  H     13.82429423      8.43497396    -15.49211758
  O     18.21358229      5.78147843    -15.44684975
  H     15.27910367      9.77226175     -8.97560471
  H     14.05851779      7.93562681    -16.92536824
  O     15.43889280      5.66895886    -15.05153900
  H     13.98532510      9.20608174     -8.34053503
  H     17.34422799     10.07872652     -9.60932088
  O     16.46442034      5.32240158    -12.32495870
  H     15.70306968      8.30861568    -14.16131807
  H     16.78716496     11.46727366     -9.28432184
  O     20.55267393      9.38681982    -15.26059745
  H     14.89344811      8.01224555    -12.87194946
  H     17.67251807     10.16556108    -11.81550811
  O     17.34595426      8.41792871    -14.75186717
  H     16.45303125     11.44973728    -13.19077675
  H     18.56852072      8.91125551    -11.69990177
  O     14.68862953     11.20200984    -16.34245543
  H     17.94681532     11.70745716    -13.58925977
  H     14.01317318     10.84115795    -10.35448383
  O     15.56183278      7.77275105    -11.20790347
  H     19.54596637      4.54436988    -12.38429511
  H     14.75895529     12.14471545    -10.69790603
  O     13.61476630      8.62257163    -16.41487757
  H     18.17515382      5.24669140    -12.55629214
  H     20.54740271      6.67316997    -17.53404053
  O     16.84765473     10.56822818     -8.93816500
  H     18.61160240      5.52337878    -14.60471339
  H     19.35870317      6.60841057    -16.54894244
  O     17.84292581      9.38280936    -11.27281246
  H     17.26944373      5.58458010    -15.37865091
  H     14.63573990     10.06407311    -13.62227471
  O     14.00331197     11.59962721    -10.95027282
  H     15.09566314      6.45546368    -14.60719855
  H     14.34581498     11.25366735    -12.66799434
  O     19.89543154      7.21130618    -17.09053733
  H     15.25526976      5.81319416    -15.99114038
  H     19.69152391     12.44631974    -15.28837985
  O     14.73733524     11.01732899    -13.52228063
  H     16.09591789      6.08322245    -11.85611972
  H     19.68895815     10.90853135    -15.13078410
  O     19.13555464     11.70646649    -15.05663839
  H     15.99518725      5.25212456    -13.16374343
  H     17.28908190      8.93451095    -17.81173466
  O     17.36242460      8.03572407    -18.16396731
  H     20.41298670      8.92484014    -14.42266107
  H     18.26635622      7.76184172    -17.97535704
          69
 Energy    -248.24834194808426     
  O     14.02163433     11.87031228    -15.95825549
  H     14.71180184     12.35073851    -16.43214489
  H     19.78475005      8.01216333    -15.25187007
  O     18.88738682      7.48621612    -10.63471368
  H     14.46410736     11.14248920    -15.49257691
  H     18.00766542     12.50024131    -14.40469367
  O     16.31301228     10.52132568    -12.31569314
  H     17.94073288      7.68425784    -10.73016588
  H     16.74997442     13.30518963    -14.00430921
  O     12.82055718      9.57675193    -17.12715771
  H     19.03680682      7.30689602     -9.70976183
  H     14.89720747      8.16357210    -19.08495951
  O     16.08270768      6.33479725    -13.56635628
  H     15.80344588     10.28560779    -13.10647680
  H     14.25290649      8.91230067    -17.89615991
  O     13.38209785      6.22517449    -13.15378010
  H     16.36564764      9.71235502    -11.79511149
  H     14.09954910      9.27698216    -14.49471280
  O     18.69422387      5.81970577    -12.96985821
  H     13.08294836     10.46675481    -16.85651601
  H     15.53487330      9.08372694    -15.03389905
  O     12.77118438     12.66208769    -13.65965592
  H     12.53991895      9.12950333    -16.31827566
  H     16.91761715     11.34901787    -17.70013427
  O     18.69910737      9.27095689    -15.90236576
  H     16.96456770      5.99267890    -13.35634642
  H     16.49838016      9.91758584    -18.11440745
  O     16.24539652      7.94144962    -11.23103423
  H     16.16073501      6.77315582    -14.42565062
  H     13.35342117      7.48774958    -11.69043144
  O     16.26502454     13.02903916    -17.13219008
  H     14.34320291      6.18580194    -13.29949854
  H     13.08160954      8.98091688    -11.43027553
  O     20.31147726      7.35837117    -14.76249382
  H     13.08016796      5.32326098    -13.08105005
  H     19.95124718      8.60689236    -11.76905768
  O     17.39150585     13.17402280    -14.71704966
  H     18.87361028      6.26004940    -12.13008025
  H     20.52866364      8.47719683    -13.18860591
  O     15.09499779      8.57554304    -18.24790537
  H     19.26083726      6.25392552    -13.62043496
  H     15.78348606     12.29906119    -12.34952448
  O     14.96554093      9.70046486    -14.55653726
  H     12.29965869     13.48399960    -13.77502705
  H     14.56765402     13.06368923    -12.89368966
  O     17.25915916     10.46734745    -17.89404101
  H     13.17040980     12.44840906    -14.52047715
  H     19.40437928     10.41142071    -13.20111915
  O     13.51537590      8.20341340    -11.06222736
  H     18.32393577      9.73335597    -16.66648043
  H     17.90610847     10.79763272    -13.15467296
  O     20.41261351      9.09871669    -12.45962447
  H     18.69461540      9.88784870    -15.15548423
  H     12.11485446      9.07141737    -13.79431151
  O     15.49404214     13.17011425    -12.65821670
  H     15.31827811      8.06268334    -10.98046810
  H     12.66762254      7.65190938    -14.11364239
  O     18.71673896     10.90346892    -13.67202258
  H     16.23217995      7.43715059    -12.05646233
  H     11.18934273     10.51392232    -11.88228109
  O     12.43574940      8.50348864    -14.50767579
  H     16.71579643     13.11290660    -16.26986017
  H     12.27287268     11.14288760    -12.78019403
  O     11.96975551     10.30705254    -12.39264497
  H     16.46827098     13.81772911    -17.62695212
  H     17.25251072      8.20429838    -15.91912202
  O     16.39811500      7.74825774    -15.90462744
  H     21.03564295      7.11160560    -15.33259440
  H     15.97327240      7.89354948    -16.75940435
          69
 Energy    -248.24825958314460     
  O      9.96626946     12.28044711    -11.55569320
  H      9.93929527     11.43435449    -11.09383306
  H     16.44692550      9.13267807    -12.37151902
  O     13.95752899      8.63168685    -17.95206695
  H     10.32934837     12.11342773    -12.43650791
  H     15.39223705      7.93455972    -13.99662875
  O     11.91768285      8.77896399    -11.92943726
  H     13.79102378      8.10381051    -18.72799261
  H     16.40982527      6.85476585    -13.56256020
  O     14.54177506      8.75556625    -15.28497636
  H     13.17744913      9.20282044    -17.84333836
  H     12.54431213     13.20979689    -13.13930095
  O     13.20073429     12.42606859     -9.70474815
  H     12.56949744      9.49892364    -11.91662875
  H     12.48893124     14.27692940    -12.04579734
  O     11.79889616      9.18423387    -14.63207491
  H     11.20217002      9.03751797    -11.33668327
  H     13.26709535      7.67260089    -11.31935031
  O     14.50541524      8.47918205     -8.56749111
  H     14.62787000      9.70596308    -15.12291128
  H     14.70956143      7.31720374    -11.73585702
  O     13.83095035     10.78179167    -11.92780307
  H     14.44001315      8.63021672    -16.23980497
  H     16.69433852     12.78779486    -13.04963415
  O     12.18516753     10.14217286     -8.51711602
  H     12.59391267     13.14904294     -9.90707727
  H     17.93747716     12.54218553    -13.94683837
  O     15.74836885     13.79417597    -12.07357735
  H     14.05513571     12.80670931     -9.46579775
  H     11.58902691     12.32248767    -14.81387646
  O     10.04827972      9.80446428    -10.11628614
  H     12.70289605      8.94028888    -14.87016726
  H     11.46323708     10.95609053    -14.13435062
  O     16.55540977      9.96600747    -11.89634824
  H     11.68681232      8.88884393    -13.71755226
  H     16.30136776     13.67716625     -8.57239322
  O     15.88729806      7.58308518    -13.23639190
  H     14.39066123      8.03374662     -9.42561169
  H     16.06089195     12.27864438     -9.19341860
  O     13.04017535     13.94785575    -12.76658659
  H     14.67750182      7.79349607     -7.92703353
  H     15.52645871     11.71103801    -14.38720699
  O     14.10258079      7.31448806    -10.98787884
  H     14.73380807     10.47603912    -11.77315624
  H     14.20726404     11.29759083    -13.68775444
  O     17.14641983     12.12970803    -13.61344895
  H     13.61050169     11.40867059    -11.22675921
  H     13.06516380     13.61464535    -16.36524423
  O     11.32579560     11.90161951    -13.98693663
  H     12.93531709      9.53862295     -8.46889970
  H     13.50272720     12.29931590    -15.68562185
  O     15.82853113     13.22336556     -9.26420236
  H     12.54234048     10.98173461     -8.84171689
  H     16.55395145     10.31833380    -10.11202972
  O     14.61759374     11.43235500    -14.55508736
  H     14.81545563     13.87905685    -12.31968662
  H     15.71750193      9.89876697     -8.88956454
  O     12.81454859     12.70227553    -16.24202495
  H     15.78558749     13.68178036    -11.11714970
  H     10.75699708     13.63770741    -10.86632502
  O     16.32490726     10.57711684     -9.20809909
  H      9.31278884      9.42050411     -9.64708254
  H     10.76764024     15.02287599    -10.17132368
  O     11.33617721     14.34460176    -10.52296757
  H     10.77291294      9.90911532     -9.47200013
  H     12.10832568     11.12866120    -17.09309531
  O     11.82671178     10.22682180    -17.29098954
  H     16.87606380     10.63114045    -12.51876179
  H     11.58265252      9.83729832    -16.44086756
          69
 Energy    -248.24806251876228     
  O     10.23288251     11.34336239    -11.94657820
  H     10.84564615     11.79494785    -11.33893607
  H     12.56474494     13.25395427    -10.60377742
  O     14.93673493     10.69868009    -12.61609735
  H      9.35781627     11.44667042    -11.58254948
  H     13.78772038     10.15016264    -17.56143762
  O     17.74059921     12.39466688    -14.54177832
  H     15.81122347     11.01340821    -12.34958019
  H     12.91975484      9.42434825    -18.61291876
  O     16.19437291      7.52065593    -11.29647691
  H     14.57863709     10.15484780    -11.90357472
  H     14.75352783     13.13507016    -15.03143746
  O     11.32689878     11.67265626    -14.50607793
  H     16.97699452     12.80432407    -14.97058687
  H     14.87236348     13.67212699    -16.48111234
  O     13.68271991     14.33223271    -17.63629029
  H     18.04624912     11.72164496    -15.15962746
  H     18.66344592     10.40947760    -17.33169367
  O     15.38762014     10.58488252    -16.81786540
  H     15.89936323      6.85718483    -11.91756732
  H     17.22391319     10.40598352    -16.77510554
  O     13.92686433     11.06287903     -8.79655185
  H     15.39274259      7.98248677    -11.00474418
  H     13.82759114     13.92349254    -12.22764637
  O     13.66023639     12.86589660    -13.61933390
  H     11.68166031     10.78682233    -14.67020649
  H     13.93258812     15.30691298    -11.54441460
  O     15.09866368      8.89193309    -14.64633861
  H     10.83167960     11.62357699    -13.67875984
  H     18.10836131      8.53137730    -13.73016773
  O     18.42350714      8.97467577    -11.87461509
  H     13.34777728     15.04932496    -18.16685108
  H     18.06370633      8.91142508    -15.22998326
  O     11.99872734     12.54128925    -10.28368991
  H     12.93879760     13.71800609    -17.51224994
  H     16.44577588     12.40028097    -10.55406129
  O     12.87648163      9.89902475    -17.78645089
  H     15.27790034      9.99533601    -16.05568102
  H     15.23167825     13.35180742    -10.41717951
  O     15.33963270     13.16656345    -15.80052452
  H     15.34120365     11.49731097    -16.49453915
  H     12.34468074      9.24359479    -16.02395612
  O     18.15869942     10.32544245    -16.52624641
  H     14.63761249     11.62190769     -9.16124124
  H     13.30576701      8.91899827    -14.87542105
  O     13.91187083     14.37008454    -11.36746941
  H     14.03740008     11.06000440     -7.84958719
  H     11.83325397      8.83116102    -13.20026089
  O     17.76608349      8.25382248    -14.58843843
  H     12.80768914     12.56930512    -13.96206973
  H     11.13382035      9.67711618    -12.11817863
  O     15.75681970     12.69444461     -9.94377397
  H     14.09449184     12.08311838    -13.24358600
  H     17.62571034     11.96643401    -12.81925704
  O     12.37718155      9.11847614    -15.06806976
  H     15.98818158      8.51258767    -14.63873770
  H     17.88847148     10.76015077    -11.86447319
  O     11.70864125      8.91243191    -12.24761697
  H     15.06627596      9.53116527    -13.91812713
  H     11.45099176     12.31139800    -16.27574582
  O     17.44448852     11.61493036    -11.93293639
  H     19.16667715      8.61490549    -11.39670641
  H     12.03052918     11.60111205    -17.50763922
  O     11.72778473     12.46000815    -17.18919622
  H     17.64401158      8.45421906    -11.61036225
  H     13.09968097      8.89750148    -11.14087668
  O     13.94389112      8.98446148    -10.67091546
  H     12.55617754     12.00760743     -9.70469127
  H     13.84392398      9.61484903     -9.94680389
          69
 Energy    -248.24800169082181     
  O     13.98262341      5.92605462     -9.81612859
  H     13.58025603      6.80652027     -9.77435562
  H     13.82315082     12.09575697    -13.19001953
  O     15.02809083      9.51231633    -16.45850361
  H     14.93362570      6.07629125     -9.80632923
  H     13.68963965      8.83560145    -13.76310380
  O     18.13772499      8.75968807    -13.76935490
  H     14.62114423      9.76269748    -17.28372141
  H     12.36129651      8.69100033    -14.55282941
  O     15.80564227     11.37814766    -10.79436359
  H     14.31373055      9.43028145    -15.80305766
  H     16.60161332      9.83799784    -11.07629310
  O     10.97627529      7.48218093    -14.48790365
  H     18.91466451      8.21652449    -13.58693243
  H     17.40491852      8.95746061    -12.11203541
  O     17.05536168      3.97400430    -13.35793862
  H     17.58991290      8.24923402    -14.38345973
  H     13.90625991      8.09951823    -11.67595392
  O     12.28600080      5.16640720    -14.03935945
  H     15.79333180     11.92799776    -11.58827117
  H     15.36991959      8.40128283    -12.07769455
  O     16.75703806      6.74188282     -9.68306721
  H     14.88711136     11.31863507    -10.50566161
  H     11.64579724      4.01525715    -10.74454024
  O     12.96426371     11.19878025    -10.35826571
  H     10.21824446      7.34118346    -15.04867062
  H     12.75158192      5.09167911    -10.75285670
  O     18.56431646      5.35738144    -15.15119137
  H     11.42585892      6.62133890    -14.39947264
  H     19.58080213      6.34843962    -12.51094153
  O     15.57472072     12.78590816    -13.25685480
  H     17.02617978      3.03636996    -13.52900665
  H     20.99916247      6.78475158    -12.95445458
  O     12.97920531     11.65344050    -13.02918833
  H     17.61212294      4.37191720    -14.05205893
  H     14.85207023      6.49276070    -13.27776315
  O     13.16642712      9.21959317    -14.48382526
  H     13.23751101      5.30826508    -14.13998379
  H     15.62259113      5.15623117    -13.59869657
  O     16.90450222      8.94105010    -11.28575911
  H     12.16282695      4.90557045    -13.11737584
  H     17.42211043     10.34498931    -14.46747169
  O     14.53371325      8.05165959    -12.40926503
  H     16.82133022      7.55872552    -10.20822866
  H     16.27109218     10.56758157    -15.47325746
  O     11.99237620      4.74389458    -11.25301751
  H     16.99454923      6.97583040     -8.78838404
  H     16.07967267      8.01149546    -16.04440703
  O     20.07899640      6.82706107    -13.19884729
  H     12.42024274     11.84806043     -9.92042563
  H     15.95770827      6.77912150    -15.10599197
  O     14.98823508      5.79836678    -13.93995269
  H     12.88792069     11.36752132    -11.31503067
  H     18.00243340      4.85215155    -11.99114888
  O     16.84657762     11.02181240    -14.84616368
  H     19.20712952      5.83808969    -14.61479958
  H     17.95238792      5.82067825    -10.78921452
  O     16.58787772      7.32028878    -15.60511977
  H     17.96219542      6.02456470    -15.50824155
  H     11.01371723      6.39367245    -11.48584945
  O     18.54363182      5.44144706    -11.45041974
  H     15.86790668     13.66732591    -13.47100428
  H     10.71011561      7.45287443    -12.56312166
  O     10.71426894      7.30388119    -11.61056583
  H     16.06273529     12.17882874    -13.84159391
  H     11.97744640      8.13483376    -10.67096111
  O     12.81076277      8.40455681    -10.25340339
  H     12.96770162     10.87161645    -13.59504630
  H     12.82141500      9.36700094    -10.19603691
          69
 Energy    -248.24791200120137     
  O     12.20089555      9.53629998    -10.49841385
  H     11.83085830     10.19007182    -11.10540748
  H     11.34516795     10.06799511    -15.79785901
  O     15.15056496     10.65799593    -12.98472803
  H     12.80610843     10.00053283     -9.90744076
  H     15.23110900     14.27970070    -14.25427386
  O     16.92935823     14.18326438    -13.69127639
  H     16.02136442     10.66765269    -12.56826249
  H     14.53179501     13.41588431    -15.32354809
  O     16.26948439      6.97361876    -12.87050415
  H     14.66798102     11.44391731    -12.70122724
  H     16.72727703     12.41868149    -16.27021120
  O     11.45843000     11.15110892    -12.75758078
  H     17.31329820     13.59215651    -14.34959043
  H     18.16447510     12.86894008    -16.60046952
  O     11.77317582     14.22644755    -15.68821659
  H     17.22403212     13.86920163    -12.82857302
  H     14.93159795     12.14071668     -9.54253146
  O     14.97079221     12.20644640    -16.68638344
  H     16.73227927      7.11776135    -12.04389562
  H     14.57693339     13.01864709    -10.75932113
  O     16.07853704      8.78804831    -10.22382890
  H     15.35665448      7.25186082    -12.70283728
  H     18.06016901      9.41664078    -14.76119386
  O     13.59281688     12.84239595    -12.27014689
  H     11.78900829     10.49044584    -13.38069665
  H     18.19150187     10.94938447    -14.92504694
  O     14.96999984      9.73811673    -15.52264924
  H     10.81428257     11.68243278    -13.24326791
  H     18.21770966     13.75902662    -10.52728984
  O     14.38561278     10.47822902     -8.83073854
  H     11.97205521     13.77419943    -16.51707642
  H     16.79508567     13.16030360    -10.65634115
  O     10.94442884     10.75110909    -16.34913830
  H     12.62699497     14.36239974    -15.25602259
  H     12.70720905      8.56981041    -13.80956372
  O     14.36247683     14.06155530    -14.62496715
  H     14.17105990     12.33142035    -17.21190337
  H     13.26069769      9.32572615    -15.01987646
  O     17.63050285     12.46656823    -15.91848944
  H     14.94319037     11.29464799    -16.35738065
  H     16.81234672      7.50141741    -14.46119107
  O     15.21185117     12.92082961    -10.03496283
  H     16.69999196      9.35222380    -10.70969631
  H     17.40038112      7.15547448    -15.84850889
  O     18.43757653     10.20745800    -14.35862733
  H     15.38474072      8.53895478    -10.84543310
  H     12.10580620     12.46459313    -18.75416441
  O     17.66815185     13.21747305    -11.08738513
  H     12.78172852     12.33498520    -12.40649355
  H     11.91307820     11.78547156    -17.37756711
  O     12.44008818      9.13671984    -14.54047044
  H     13.77698790     13.33889150    -13.07958991
  H     17.78382170     11.42396652    -11.49958063
  O     17.05651454      7.87524442    -15.32593163
  H     15.09404322     10.12909524    -14.64069074
  H     18.05258444     10.38286340    -12.63863629
  O     12.43726506     12.44987838    -17.86022231
  H     15.64741287      9.05854702    -15.61650072
  H      9.05847757     13.13332220    -14.44481833
  O     17.64103612     10.50736242    -11.76913516
  H     15.03420757      9.87185083     -9.22518607
  H     10.53647678     13.30340445    -14.87436452
  O      9.89270638     12.67544438    -14.49929250
  H     14.35410102     10.27295301     -7.89901859
  H     14.32669082      9.13817487    -12.50414744
  O     13.93238725      8.30775883    -12.19022727
  H     10.44858466     11.32225531    -15.74879591
  H     13.25587766      8.55994824    -11.54350979
          69
 Energy    -248.24767040547624     
  O     18.05686991      9.03484364    -10.49412628
  H     17.16310404      9.34537366    -10.68550717
  H     16.53301713     11.60665103    -11.09167224
  O     14.36842696      8.66086555     -9.04560504
  H     18.00468062      8.16365566    -10.07992766
  H     18.77571296     11.21188379     -8.32089719
  O     19.08454091      3.73866509    -11.65992416
  H     15.06342814      8.90769114     -8.40979812
  H     18.95054585     10.05453066     -9.32777176
  O     21.31123147      7.33320962    -12.11737637
  H     13.53845394      8.74850515     -8.58347302
  H     18.90650452      9.05616751    -11.99406943
  O     16.31005353      9.53568226     -7.38034919
  H     18.27653951      4.27908288    -11.67964572
  H     19.45387291     10.08699131    -12.98348940
  O     18.67333304      5.76283304    -15.60311677
  H     18.80487263      2.82733537    -11.62928727
  H     20.12145204      4.55509543    -13.06562099
  O     22.82876705      8.74406592    -10.20119203
  H     21.93330910      7.82916450    -11.57011191
  H     20.94047236      5.85151682    -13.25384136
  O     21.53579123      7.40182627     -8.20707591
  H     20.66841878      7.97335921    -12.45246355
  H     15.02899167      9.65579494    -10.45929668
  O     18.90283043      8.19469970     -7.15902371
  H     17.11248285      9.06821848     -7.12334664
  H     15.28380177      9.54264859    -11.98769657
  O     18.10884844      6.54787168     -9.33918116
  H     16.56930682     10.44638226     -7.56875617
  H     15.78459610      7.97524912    -13.56906845
  O     17.18942936     12.17748719     -8.13531039
  H     18.96615279      5.54752226    -16.48385958
  H     14.41113792      8.40215137    -14.13910722
  O     17.16090169     12.30181595    -10.85093978
  H     19.39458727      5.49810655    -15.00583529
  H     20.74559059     11.03939193     -9.73720942
  O     19.39970718     10.53668399     -8.61385357
  H     23.76610147      8.71103139    -10.02690059
  H     21.92189414     10.39638524    -10.48145379
  O     19.31402222      9.14035760    -12.87275265
  H     22.39032525      8.33862170     -9.43201070
  H     14.48786529      7.19927598    -10.29663538
  O     20.54782660      5.10905872    -13.73048748
  H     20.77089450      7.63537414     -7.67082701
  H     14.50600180      7.15890610    -11.83612476
  O     15.53723980     10.02851359    -11.19247154
  H     21.28634428      6.61123298     -8.70522415
  H     17.76913124      6.79536370    -14.50315206
  O     14.90955350      8.32732677    -13.32968835
  H     19.15870148      9.01220768     -7.61393084
  H     18.08185772      7.99719124    -13.56181722
  O     21.32653522     11.15385116    -10.50315772
  H     18.55603599      7.58665839     -7.82753393
  H     19.93352858     12.66260727    -12.91777134
  O     14.55243092      6.59994627    -11.05003783
  H     19.00593886      6.22044609     -9.50050982
  H     20.25399969     11.68753001    -11.76182221
  O     17.40830641      7.34219125    -13.78960028
  H     17.57092378      6.14886485    -10.03458915
  H     17.19138879      6.09932396    -12.40818304
  O     19.58668101     11.91707093    -12.43463780
  H     17.15516382     12.29425219     -9.10198559
  H     16.05674516      5.71626111    -11.42795208
  O     16.96644410      5.50134395    -11.68261584
  H     17.01402370     13.03051133     -7.74781189
  H     20.83498416      6.15414448    -10.80701622
  O     20.57985156      5.54765900    -10.09535484
  H     17.93999141     12.17968678    -11.40557242
  H     20.18703481      4.77793366    -10.52430519
          69
 Energy    -248.24763223593214     
  O     -3.99944895      0.26580969     -5.32439034
  H     -3.16133357      0.53052585     -5.72537247
  H     -3.80381868     -1.30468075     -1.83060727
  O     -1.42786810     -2.36504011      2.24600477
  H     -4.21062772     -0.59678571     -5.70298753
  H      0.21003033     -4.81017211      0.29486621
  O     -1.51325553      0.98330642     -2.09587793
  H     -1.94821310     -2.98829659      1.70556587
  H     -0.11216570     -6.29171184     -0.02341444
  O     -1.28321470     -0.92800044     -0.15668023
  H     -1.84714238     -2.32031148      3.10049546
  H     -3.07140425     -3.46540694     -0.23321677
  O      2.79536346      0.01418018     -4.69048263
  H     -2.45533476      0.92471028     -2.29796673
  H     -1.99305891     -4.53388965      0.09400748
  O     -1.72341627     -1.97905806     -7.53539695
  H     -1.37923934      0.47435822     -1.28360044
  H      1.38428694     -3.04628780     -3.95882342
  O     -0.86604501     -5.03738900     -4.54157726
  H     -1.96781316     -1.40497747     -0.64933438
  H      1.10122473     -2.83248783     -5.47171367
  O     -4.22413515      0.39121210     -2.63087849
  H     -1.32131062     -1.25048707      0.75133559
  H     -2.11308672     -2.34513526     -4.06135174
  O      1.25322997     -1.70733833     -0.98810430
  H      2.23188540      0.62082870     -5.18460829
  H     -2.18329864     -3.88952285     -4.20358408
  O     -0.92017941     -1.02753427     -4.00910634
  H      2.40818743     -0.86833686     -4.78307044
  H     -0.47043232     -3.10184201     -7.12114714
  O      0.82491821     -4.00555463     -2.47817768
  H     -2.61846534     -2.17369259     -7.23354006
  H      0.61550196     -4.08052186     -7.62602833
  O     -3.38772339     -2.13427085     -1.56580338
  H     -1.55186339     -1.06363745     -7.27600547
  H      1.26898909     -2.86643035      0.54271149
  O     -0.29600910     -5.39630370     -0.29650569
  H     -0.25015414     -4.76107479     -3.84990971
  H      0.27390530     -3.08503492      1.70382035
  O     -2.69275315     -3.99303572      0.48161633
  H     -0.49135989     -4.72098488     -5.37363328
  H     -3.76929396     -2.73393324     -5.42961951
  O      1.44183250     -2.40143730     -4.67626415
  H     -4.17410202      0.35113564     -3.60300219
  H     -4.94883145     -3.03020529     -6.38684025
  O     -2.72305632     -3.09987024     -4.05691015
  H     -4.98038716      0.93260626     -2.41975352
  H     -1.22585265     -0.07414712     -5.48672052
  O      0.23489419     -3.70907999     -6.83472512
  H      1.76883789     -0.95417078     -1.29984459
  H     -0.59201367      1.09768888     -6.24851038
  O      0.98150108     -3.51077611      1.20319208
  H      0.37856614     -1.38105391     -0.73277092
  H      0.85684304      2.19808979     -4.79375253
  O     -4.23469133     -2.41970129     -6.22464420
  H     -0.03107820     -1.39116079     -4.10528231
  H      1.32448804      2.81996865     -6.12956585
  O     -1.34318213      0.49418327     -6.26473248
  H     -0.93563973     -0.36008562     -3.31351721
  H     -0.12473236      1.99547540     -2.69756412
  O      0.98356013      2.01735753     -5.74303923
  H      0.44960395     -4.60661568     -1.82282503
  H      1.39878110      1.80199162     -2.60665016
  O      0.71565073      2.31424761     -3.05521036
  H      1.00590657     -3.18772574     -1.99051130
  H      2.81095872      0.30170571     -2.98091079
  O      2.69447068      0.48363644     -2.03038497
  H     -3.19826276     -2.60305219     -2.39163168
  H      3.54228468      0.77119173     -1.70074797
          69
 Energy    -248.24749699280861     
  O     15.40394069     11.75959586    -12.55007353
  H     16.19866502     11.37041551    -12.16361002
  H     11.71662923     11.34864874    -11.28964874
  O     17.46753360      9.43968945     -7.22837748
  H     14.94389896     12.17295354    -11.80998905
  H     15.23128640      7.96792242    -13.91081759
  O     16.52993532      5.92360825    -11.04259811
  H     16.79703250      9.95890074     -7.70133496
  H     14.33206987      8.80442966    -14.80724718
  O     18.88145733      6.16188757     -9.67316280
  H     17.64787290      9.90471269     -6.41481841
  H     18.72977148      9.16128092     -8.66550013
  O     16.94440282      6.62763362     -7.59201298
  H     15.86204257      6.04934097    -10.35306935
  H     19.18316623      8.04294874     -9.61648501
  O     17.29284131     10.38015577    -10.96354252
  H     16.09336716      5.50637303    -11.79860787
  H     15.37222263      6.28454093     -8.41781115
  O     14.21425510     12.77057320    -10.12688840
  H     19.47951026      5.43938721     -9.84615679
  H     14.18716833      7.15822749     -8.85268458
  O     10.39496501      7.63498217    -10.74880382
  H     18.10319772      6.02184778    -10.23942791
  H     11.20698626      9.88472184    -13.18095389
  O     15.54310067     10.71962606     -8.74332322
  H     17.07852830      7.55860849     -7.37594042
  H     12.51601697     10.62206771    -13.63526755
  O     13.63773596      8.78420305    -11.47636844
  H     17.68673131      6.38764856     -8.15981322
  H     12.87106066      7.18062455    -14.25321592
  O     12.86756820      6.15576058    -11.28526165
  H     18.07916461      9.96344845    -10.58131498
  H     12.18620581      6.33522773    -13.15908839
  O     11.76086180     11.69127522    -10.38582517
  H     16.67610097     10.49388432    -10.22819738
  H     10.69391543      7.86118793    -13.76025729
  O     14.53314621      7.88903669    -14.57822286
  H     13.30985836     12.41171168    -10.17949062
  H      9.25539581      8.37698242    -14.02401502
  O     19.16723271      9.00229557     -9.51150188
  H     14.12997561     13.70564448     -9.95980722
  H     10.57342942      8.83283791     -9.48428633
  O     14.61322718      6.30682995     -9.02118476
  H     10.16407637      7.92788129    -11.63886736
  H     10.02780042      9.48858914     -8.19444609
  O     11.90953045     10.48366874    -12.89637897
  H     11.10150028      6.98789419    -10.85066362
  H     14.14588415      5.35562180    -12.54478352
  O     12.02202785      6.79764943    -13.98773680
  H     14.83538405     10.06317212     -8.66181667
  H     14.81167360      5.80057306    -13.85249076
  O     10.02001798      8.50324853    -13.46917951
  H     15.13624409     11.51098295     -9.11817295
  H     14.58249266     11.10684619    -13.95104717
  O     10.75644767      9.51002055     -8.80896844
  H     14.51922933      8.75037812    -11.86921777
  H     14.21097917     11.30212506    -15.43792571
  O     14.89943828      5.18015607    -13.12319280
  H     13.08510235      9.39055125    -11.98215005
  H     13.55779859      8.90319681     -9.75078761
  O     14.05106919     10.74206839    -14.68255573
  H     13.10918000      7.08421799    -11.44694701
  H     12.57859927      9.08526806     -8.57329816
  O     13.49612255      8.87557336     -8.78051164
  H     13.31979974      5.92298075    -10.46497499
  H     16.67842666      9.04531344    -11.98317202
  O     16.21154953      8.32661990    -12.42933505
  H     11.36963884     11.01752719     -9.81834756
  H     16.41264221      7.51451946    -11.94667484
          69
 Energy    -248.24729967558565     
  O     14.52766475     10.30700857    -14.55888950
  H     15.10998603     10.14874931    -15.31276128
  H     16.22209792     10.03695754    -17.62854307
  O     18.20896825     14.89041873    -16.83087670
  H     14.30202024     11.24477836    -14.57914224
  H     18.52826228     12.38428555     -9.50027210
  O     19.61365792     13.63816544    -10.35524695
  H     18.17549082     15.45850193    -17.59559678
  H     18.52789349     10.84869067     -9.34188909
  O     15.15415335     13.72708665    -12.04936938
  H     18.90551682     14.22639531    -17.00122064
  H     21.16960091     17.88848309    -13.13661178
  O     19.70680256      9.41439389     -9.75944942
  H     18.97804516     13.93230125    -11.02413652
  H     20.39200008     16.57572396    -13.31995215
  O     15.43983522     11.57866546    -10.20144503
  H     20.30043383     14.31366266    -10.30707289
  H     20.55602231     12.18766117    -10.94701366
  O     19.35970372     10.43307850    -16.50682589
  H     16.04124682     14.10874075    -12.08625168
  H     20.78161661     10.69030700    -10.64632162
  O     21.29800841     13.26240476    -14.50864960
  H     15.18892098     13.03507947    -11.37746995
  H     15.48152169      9.96974611    -13.08854891
  O     21.69146798     15.53241171    -10.58825538
  H     19.30952168      9.09085416    -10.58834166
  H     15.81269412     10.44742480    -11.62988120
  O     20.11730060     10.75150023    -13.74744680
  H     19.95175288      8.64576076     -9.25196585
  H     19.85949485     12.11377187    -17.01961053
  O     14.16130985     13.19759073    -14.50418785
  H     16.34064237     11.61581179     -9.83101793
  H     20.73886213     13.18323285    -16.34536104
  O     16.44729215     10.22096269    -16.71877378
  H     14.85120382     11.40250421     -9.47227337
  H     20.16254628     14.65415920    -14.39795107
  O     17.96862189     11.63145555     -9.26920901
  H     18.42694933     10.19297306    -16.49272215
  H     19.03816099     15.36814384    -15.19414613
  O     20.88519451     17.10474483    -12.67302537
  H     19.68501091     10.33345395    -15.60377769
  H     22.42278790     12.63674927    -11.81910157
  O     21.07244512     11.41278949    -11.21521734
  H     20.92710114     12.38490876    -14.35679289
  H     22.56051755     14.15949162    -11.65031611
  O     16.15983654      9.97490665    -12.39662821
  H     21.94923338     13.39849915    -13.80521975
  H     19.16478074      9.20411034    -12.83565390
  O     20.12738285     13.04263161    -17.07894186
  H     21.41545987     16.13838256    -11.29710072
  H     17.74275751      9.05514249    -12.24958684
  O     19.53708716     15.39556924    -14.37025171
  H     22.14797377     16.05903585     -9.93707425
  H     17.09733091     11.26622596    -13.25481982
  O     22.81531377     13.42414174    -12.21982475
  H     19.25036279     11.19140301    -13.72500503
  H     17.27490547     12.18085534    -14.51982554
  O     18.65514831      8.74296258    -12.16160612
  H     20.53297580     10.91574391    -12.88857549
  H     15.63975078     13.14391774    -15.58251006
  O     17.67357195     11.91426007    -13.68270465
  H     14.48767740     13.39971115    -13.60860898
  H     16.95432862     13.64257498    -16.30235548
  O     16.45060594     12.86598566    -16.03088774
  H     13.31471171     13.62726726    -14.59014183
  H     17.80565150     13.42953105    -12.78835817
  O     17.87938270     14.31305539    -12.39294127
  H     16.45201119     11.18906580    -16.62262022
  H     18.38385463     14.83709014    -13.02679609
          69
 Energy    -248.24723295181178     
  O     12.04363257     12.06930211    -12.47528774
  H     11.94508425     11.10819927    -12.57249445
  H     19.08967676      6.19241805    -13.94209670
  O     19.75772849      7.68480657    -10.94965338
  H     11.16884022     12.41811981    -12.31854172
  H     17.53037960     12.19965054    -16.34581793
  O     17.63323693     11.49582443    -12.06250350
  H     19.41407078      6.86882951    -11.32541111
  H     18.45072025     13.42197762    -16.57387024
  O     11.72731643      9.32699960    -12.91811749
  H     20.22778786      8.12413486    -11.67468906
  H     13.88931522      8.33049613    -14.95378612
  O     16.17039624      7.16851861    -11.77136873
  H     17.41916761     12.38394538    -11.75487577
  H     13.22600420      9.36939948    -15.87596302
  O     13.58284846      7.89607500    -11.14468587
  H     16.82975821     11.16764277    -12.49728372
  H     15.33138261      9.68318755    -13.55179266
  O     18.29568226      5.57557135    -12.42098511
  H     10.90265263      8.84649006    -12.92371178
  H     14.79420973     11.13965045    -13.65666209
  O     13.80070231     12.37374493    -14.66104716
  H     12.17535543      9.11442685    -13.75727608
  H     13.78291806     11.44837777    -16.13478244
  O     17.94541032      8.77167656    -15.53072854
  H     16.64391651      7.88215396    -11.31921014
  H     13.35342101     11.26248307    -17.61049390
  O     17.55043010      9.21961396    -10.44417252
  H     15.23581173      7.25209055    -11.53215427
  H     20.51552738      8.05227385    -13.85881282
  O     16.69078979     10.83526254    -17.01323997
  H     13.93171227      8.64985630    -10.64714780
  H     20.41539341      9.57106654    -13.62832132
  O     19.51508612      6.58469989    -14.72112910
  H     12.94233463      8.27990374    -11.75211505
  H     16.71560861     13.64945129    -14.73683259
  O     18.03964055     12.89624759    -15.89228938
  H     17.49440144      6.07407421    -12.18572421
  H     16.21493951     14.05020082    -13.32093907
  O     13.03388007      8.71596982    -15.19335921
  H     18.19375241      4.70659731    -12.04022315
  H     15.64699665     13.63668229    -11.13774718
  O     15.27560268     10.52831123    -13.08879916
  H     14.49868470     13.03497687    -14.52218948
  H     16.71590175     14.72063835    -10.86311742
  O     13.83101822     10.84488464    -16.89791964
  H     13.15198143     12.43915449    -13.95122758
  H     14.41600237     11.96837237    -10.31273475
  O     20.82464137      8.76514972    -13.28827157
  H     18.38122947      9.49569872    -15.05699142
  H     13.41947010     12.67359085    -11.23984540
  O     15.94578319     13.95746181    -14.24265547
  H     18.49136208      7.98762473    -15.39692195
  H     18.74773244     11.11015369    -13.40203882
  O     16.50151056     13.99308408    -11.44059879
  H     18.37821244      8.71728896    -10.47322180
  H     18.97474946     11.63492733    -14.82937033
  O     14.16651708     12.83914869    -10.65461902
  H     17.70349063     10.03240466    -10.94538024
  H     15.81235312      9.87294971    -10.08078354
  O     19.19727769     10.90781497    -14.23603298
  H     15.73143625     10.74112277    -17.01925946
  H     14.95066124     10.30887107    -11.28012651
  O     14.93153914     10.19327224    -10.31579954
  H     17.05788510     10.01599942    -16.65709431
  H     15.80018795      7.64916217    -13.49206234
  O     15.57063344      8.05243048    -14.33953214
  H     19.97491231      5.87807338    -15.16834419
  H     16.39534188      8.25913892    -14.80040406
          69
 Energy    -248.24712852241186     
  O     10.70641425     10.40680155    -13.50063493
  H     10.48546993      9.85947799    -14.26479377
  H     19.04234632      7.44422830    -14.92178733
  O     14.36172213      7.19008818    -15.22302203
  H     11.51477103     10.87785512    -13.73803371
  H     16.36807647     11.90405957    -14.97175445
  O     16.28763664     10.44301743     -9.86124799
  H     15.11131917      6.88014279    -15.75346856
  H     15.94712333     13.27243514    -15.55766315
  O     19.08846802      9.03895684    -15.64985580
  H     13.88167769      7.87831855    -15.70037747
  H     15.33051135      8.26920670    -14.17616344
  O     12.95040469      9.36668945    -16.20424159
  H     16.21893901      9.47084859     -9.88346625
  H     15.28099881      9.27891704    -12.97982809
  O     13.25137143      5.91643671    -13.08264592
  H     16.11877989     10.71078539     -8.96154192
  H     10.62486864      9.38188082    -12.07773744
  O     14.25283870     10.26561723    -11.83822360
  H     18.68916205      9.76045679    -15.14778763
  H      9.84615999      8.95857202    -10.81061997
  O     17.44027347      8.80115041    -17.94691603
  H     18.60944956      9.00771085    -16.48846626
  H     11.48110666      6.33256438    -13.39081489
  O     15.42696656      4.54174601    -12.10568430
  H     13.06328323     10.02193295    -15.50007558
  H     10.49944733      7.31579291    -12.72580708
  O     17.53898481     10.86795346    -14.15538162
  H     12.03973980      9.05261797    -16.14101952
  H     19.16489971     11.19044813    -11.12872614
  O     16.67982778      6.49272783    -16.46785654
  H     13.91495141      5.29872208    -12.74739043
  H     17.64639016     11.06612490    -10.94208416
  O     18.92483816      6.53494816    -14.59289223
  H     13.62105712      6.31432036    -13.88581118
  H     16.70840136      7.44997569    -12.75248090
  O     15.64697120     12.37736914    -15.42180821
  H     14.89907738     10.50231560    -11.16324343
  H     17.89234730      6.52127215    -13.02142517
  O     15.87080290      8.79204951    -13.56847763
  H     13.82660349      9.44541597    -11.54590301
  H     16.43207176      7.31943817    -10.74601845
  O     10.57896093      8.71464044    -11.36952968
  H     16.66394742      9.36525032    -17.78151931
  H     14.98120784      7.65762877    -10.31471803
  O     10.63090753      6.77734360    -13.51485253
  H     17.62570012      8.85969494    -18.88026461
  H     14.43420860      9.97833556    -17.16866113
  O     18.33042801     11.37051193    -11.55659949
  H     15.70438779      4.03574693    -11.34585819
  H     15.42342255     11.10844669    -16.83195724
  O     17.18864539      6.69249268    -12.38387916
  H     16.09419484      5.23581295    -12.22268669
  H     13.25845793      7.14995639    -11.76852766
  O     15.90995898      7.77833705    -10.07603140
  H     17.87999370     11.11876288    -13.28595335
  H     12.29438686      8.09730077    -11.01590050
  O     15.28872236     10.35380425    -17.41715826
  H     16.98408178     10.08323986    -14.01828728
  H     14.03597467     11.79867984    -14.61076895
  O     13.22023668      7.82872680    -11.07835352
  H     17.39698825      6.37480137    -15.83471672
  H     13.62182999     11.01725035    -13.33971796
  O     13.30655442     11.31366497    -14.20664860
  H     16.95190351      7.21765550    -17.04547948
  H      9.59827795      8.24379212    -16.12466013
  O     10.35886280      8.48438308    -15.60289229
  H     19.72460250      6.06278754    -14.80981004
  H     10.45137909      7.80433039    -14.91122265
          69
 Energy    -248.24712761797664     
  O     14.45637156      8.84841123    -10.32428236
  H     14.41409008      9.60632216    -10.92512997
  H     18.31702282      3.32395279    -11.65971439
  O     13.43364359     11.55031002    -15.69236324
  H     13.57806114      8.44539631    -10.29696381
  H     11.32438034      7.33532194     -9.78329003
  O     17.15561174     10.63755307    -13.03236382
  H     13.50302956     12.20189794    -14.98427640
  H     12.68355334      6.60173631     -9.91536033
  O     13.21398053      4.44670049    -13.88403536
  H     14.26856589     11.60293148    -16.17442666
  H     18.63017902      8.20596952    -15.15222870
  O     16.05003045      7.32568466     -8.65329662
  H     16.23244752     10.59166444    -12.74909838
  H     18.74986732      6.73276939    -14.68289208
  O     16.59152690     13.05924525    -14.36279334
  H     17.63263558      9.92857376    -12.58131767
  H     14.97958442     13.27789431    -13.73071239
  O     15.63634914      7.25058550    -12.33155952
  H     12.84291139      5.31623771    -13.64253698
  H     13.80670289     14.10807503    -13.15415331
  O     14.39505266     10.64752827    -12.36655843
  H     12.48574580      3.83095091    -13.88695255
  H     13.12613783      9.94836218    -14.92622237
  O     18.24807736      8.23772627    -12.10378481
  H     16.28088953      7.78480355     -7.84886661
  H     13.87995209      8.60064619    -14.73346223
  O     17.87503719      5.12569263    -14.54504269
  H     15.55879603      7.95993590     -9.20166952
  H     16.40715064     11.84043235    -17.71484600
  O     15.24535011      4.81684044    -15.73223936
  H     16.49390627     12.73038679    -15.26546041
  H     16.49020530     10.88992183    -16.49892807
  O     17.72042328      4.03299251    -11.88440261
  H     16.97594414     12.32978371    -13.85692879
  H     12.40392553      7.65911132    -13.55681247
  O     12.11991690      7.29384060    -10.30727415
  H     15.45458705      6.33702676    -12.07859917
  H     12.11366285      7.00347632    -12.18262142
  O     19.15615895      7.60989204    -14.60904310
  H     15.19129666      7.81113811    -11.68487151
  H     14.65572061      6.01878523     -8.93857595
  O     14.05919442     13.22684023    -13.41421312
  H     14.21226659     11.56836299    -12.59051913
  H     14.28329357      5.07532075    -10.09822991
  O     13.16598221      9.15031542    -14.37859228
  H     13.95110009     10.10375859    -13.03377213
  H     15.90195244      4.22540268    -11.82028976
  O     16.07076198     11.70143072    -16.83344624
  H     18.71414270      8.02485624    -12.92777550
  H     14.46762944      4.37513367    -12.46017140
  O     12.19854954      6.81907752    -13.12533633
  H     17.36394023      7.85030099    -12.18803831
  H     17.46924447      6.48425604     -9.65633218
  O     13.91884252      5.53057406     -9.32533048
  H     17.85261724      4.73195524    -13.66480658
  H     18.39475681      6.90896649    -10.80959790
  O     15.01192957      4.58099055    -11.69169892
  H     17.02225666      4.93481482    -14.94935769
  H     15.30131435      6.66500958    -15.43246337
  O     18.14963908      6.15493782    -10.25457194
  H     15.06499444      4.35745832    -16.54908494
  H     15.46913554      7.43672384    -14.09794169
  O     15.30744686      7.54779840    -15.04856382
  H     14.50426558      4.63203573    -15.13384246
  H     16.51125958      8.79965886    -15.52068244
  O     17.15593901      9.51667540    -15.60796262
  H     17.92122656      4.76996029    -11.27861809
  H     17.22842169      9.92011236    -14.73040784
          69
 Energy    -248.24680944015546     
  O     -2.86531651      4.82826328      2.08931185
  H     -3.40039705      4.09034900      1.74024150
  H     -3.36916669      3.04612181     -2.21621419
  O     -1.13867134      0.30068990      3.20432363
  H     -3.47354384      5.44995993      2.47933388
  H     -1.29535670      4.45898482     -3.42611881
  O      1.39105381      5.02352236      0.34670368
  H     -1.79019060      0.15473736      2.50707318
  H     -1.66338136      4.30553157     -1.94289696
  O      1.25202525     -0.60580407      2.27527366
  H     -1.12237404      1.25354192      3.36944801
  H      2.19592095      1.09449057      2.07028048
  O      2.91039466      2.84969849     -0.58074389
  H      1.47181757      4.96832911      1.30554401
  H      2.86368247      2.18169519      1.18205421
  O     -2.59940852      0.17271571      0.74243075
  H      1.89343390      4.27041081      0.00117224
  H      0.38283224      1.51592540     -0.48661381
  O     -1.51112254     -0.97398577     -2.69124712
  H      1.65500289     -1.20519650      2.89940287
  H      0.77546883      0.07526884     -0.81751223
  O     -3.91044648     -0.22301495     -1.70963780
  H      0.42047453     -0.30041743      2.68052022
  H     -1.06427548     -0.96278680      0.21964892
  O     -0.89968117      3.10035372      3.15057857
  H      3.29672614      3.17880054     -1.40114638
  H      0.35927021     -1.25569440      0.71165262
  O      3.63679886      3.91624869     -3.06987742
  H      2.30580020      2.13264210     -0.82829217
  H      2.21476539      4.62223251      3.77172475
  O     -0.02101444      5.55272304     -4.26957723
  H     -2.04790707      0.94480691      0.53463912
  H      2.03058205      3.42962889      2.79960694
  O     -4.07127391      2.63966812     -1.69422990
  H     -3.14156344     -0.00631004     -0.03709811
  H     -1.85076606      5.06579533      0.50504127
  O     -1.76320606      3.88306355     -2.80894373
  H     -1.10280092     -0.17893771     -3.06277220
  H     -0.38646588      5.05348077     -0.05148709
  O      2.60074844      1.96867744      2.08754472
  H     -0.94920862     -1.26913978     -1.96676966
  H     -4.22108773      2.79325948      0.07474247
  O      0.98933005      0.98942410     -1.03386909
  H     -4.61489222     -0.79120535     -2.00962998
  H     -3.88730939      1.82821008      1.21906552
  O     -0.21554767     -1.32814139     -0.06225318
  H     -3.09412704     -0.53187392     -2.14127480
  H      1.67982551      5.87451026     -1.36696530
  O      1.64043986      4.27406205      3.09511680
  H     -0.06046423      3.56988544      3.24456437
  H      2.54503159      5.40724312     -2.55145183
  O     -1.31690530      4.91908102     -0.28553307
  H     -1.57486154      3.75162910      2.91916682
  H      1.00979142      3.99043409     -4.68845737
  O     -4.17451001      2.72671874      1.04265281
  H      2.93735638      3.59025198     -3.66505314
  H      0.94998355      2.49243541     -4.34885726
  O      1.82666600      6.00662136     -2.31070705
  H      4.44199060      3.94216568     -3.57949278
  H      0.19059813      1.35375211     -2.60279404
  O      1.54966698      3.19145385     -4.63935231
  H      0.59083135      5.79230197     -3.55063726
  H     -0.90805500      2.27800832     -3.19145067
  O     -0.35545197      1.50869085     -3.38795739
  H     -0.14533683      6.33656938     -4.79791126
  H     -0.73198280      2.45744083      1.41109548
  O     -0.84237381      2.28907404      0.46656492
  H     -4.02955896      1.68936928     -1.85693798
  H     -1.10345679      3.13150005      0.07620331
          69
 Energy    -248.24670641413439     
  O     14.10551949      9.66791975    -10.71557436
  H     13.93291552     10.22666656    -11.48478049
  H     17.31570354      4.72930671    -12.44687033
  O     13.82571875     10.63215217    -16.71396089
  H     13.42035698      8.98264282    -10.68349775
  H     12.10919385      7.27653550    -11.64742696
  O     16.72010702     11.16898330    -13.17600828
  H     13.53801976      9.89638445    -16.15859909
  H     13.08783255      6.79916862    -10.55896495
  O     13.47750841      4.63922549    -12.83128926
  H     13.59859888     11.43569393    -16.22923129
  H     19.10670194      7.63713752    -13.09530061
  O     16.17766247      6.67848802     -8.49992920
  H     15.76465649     11.04478693    -13.11192539
  H     18.77698590      8.16539586    -14.50922520
  O     16.29287749     12.98893292    -15.27358966
  H     17.09579257     11.04505121    -12.29272343
  H     14.55337921     13.07618642    -15.11821915
  O     15.84124479      7.83512839    -12.00099035
  H     13.90626898      4.89762331    -12.00091665
  H     13.18713259     13.80476686    -15.07593679
  O     13.90040404     10.85532004    -13.17365017
  H     14.00340356      3.92772020    -13.18906000
  H     12.67342747      8.02207436    -14.36490964
  O     18.56003721      7.95350784    -11.36484139
  H     16.15240346      7.64347938     -8.51169073
  H     14.13657874      8.15509201    -14.84975642
  O     17.75478270     10.54633490    -10.70100606
  H     17.08177969      6.42608615     -8.72423114
  H     16.60177266     11.00987846    -18.23544619
  O     17.51493065      5.27047286    -14.25832149
  H     16.48492367     12.41653940    -16.02632639
  H     15.52039830     10.78089206    -17.15245946
  O     17.22995641      4.46562791    -11.52195548
  H     16.59346397     12.50329674    -14.49226928
  H     10.88873410      6.32120972    -13.64168976
  O     12.45318762      7.49275585    -10.77228310
  H     15.73650968      7.78364984    -12.95873335
  H     12.34235490      5.91080068    -13.31088884
  O     19.14240191      7.40738500    -14.03493779
  H     15.29727335      8.55521029    -11.65854270
  H     15.14378033      5.91039359     -9.75692882
  O     13.59245257     12.94405637    -15.02249754
  H     13.68705315     11.63543868    -13.69978251
  H     15.13597362      6.44595678    -11.19617406
  O     13.30096024      8.63839513    -14.75960220
  H     13.65845112     10.08407372    -13.70639696
  H     19.37001392      5.22564957     -9.21409011
  O     16.47107428     10.93856844    -17.29383856
  H     18.73915291      7.27117388    -10.70752024
  H     18.24922458      5.21818454    -10.28109912
  O     11.75333188      6.67360305    -13.44391773
  H     17.61039936      7.90572239    -11.55698924
  H     16.23695843      6.60006693    -14.67850314
  O     14.78804420      5.72874595    -10.63959196
  H     17.20596112     10.32559638     -9.94043189
  H     16.39724501      8.11880568    -14.98515780
  O     18.68330923      5.76245471     -9.60054498
  H     18.23872087      9.73302178    -10.90104396
  H     15.64142549     10.06618333     -7.92748937
  O     15.75258287      7.43002362    -14.76019534
  H     17.87359537      4.64311633    -14.88106755
  H     15.22447909      9.65312101     -9.35604451
  O     15.92267981      9.55793315     -8.68502984
  H     18.16636871      5.99390828    -14.18820296
  H     17.31191560      9.92645676    -15.98270317
  O     17.56375855      9.46050470    -15.17608768
  H     16.35824624      4.75882566    -11.23144254
  H     17.35107124     10.05033478    -14.43679192
          69
 Ord_Energy   -248.246597    
 O   -2.14463449      -3.18683648       3.16159177    
 H   -2.32187533      -3.76198387       2.40545535    
 H   -1.68827021      -2.40475059       2.83154249    
 O   -9.30112553       2.30574298      0.495944589    
 H   -9.94945335       1.59270096      0.536600769    
 H   -9.10771561       2.54118991       1.41305685    
 O   -4.76217937      -1.57099855      0.958984196    
 H   -5.38627243      -2.18440771      0.555674493    
 H   -4.72266340      -1.76334524       1.90491784    
 O   -10.9002218      -8.93421397E-02  0.869791150    
 H   -11.8324518     -0.254441261      0.760947526    
 H   -10.7418346       1.89613793E-02   1.82517958    
 O   -5.69165277      -4.85287714       1.83938265    
 H   -6.10218334      -4.43796492       1.06702757    
 H   -4.75454140      -4.93796253       1.62965393    
 O   -8.38269424      -1.23536158      0.340689331    
 H   -7.90939283     -0.463062376      -3.00902990E-03
 H   -9.30730820     -0.972783327      0.427878708    
 O   -2.93288445      -4.94337988       1.05552995    
 H   -2.50127888      -5.78564596      0.932283461    
 H   -2.94792485      -4.51112604      0.184526876    
 O   -8.71403217       2.74497604       3.25322485    
 H   -8.71612644       3.54077983       3.77812839    
 H   -7.88448811       2.27755833       3.45841002    
 O   -5.34037209      -2.81634164      -2.67378759    
 H   -5.38409090      -1.84329784      -2.64286375    
 H   -5.56852865      -3.07307696      -3.56335115    
 O   -3.61537385      0.699858546       3.32241297    
 H   -3.98440266      0.969570935       2.46757960    
 H   -3.97341228     -0.175512180       3.54407048    
 O   -6.53705883       1.22931802       3.81402540    
 H   -6.84973478      0.336692959       3.60694337    
 H   -5.57831764       1.19483685       3.82255769    
 O   -10.1533089      0.281973869       3.44932079    
 H   -9.38674736     -0.306459665       3.49487352    
 H   -9.79140377       1.17578852       3.50126338    
 O   -5.44415665     -0.130780607      -2.48133945    
 H   -4.61691141      0.327123135      -2.29292965    
 H   -6.11836815      0.303689092      -1.94136691    
 O   -7.78159046      -1.19806266       3.10426474    
 H   -7.49827290      -2.06207895       3.42487001    
 H   -7.92010450      -1.26674950       2.15022945    
 O   -7.11684513       1.05778730     -0.566581190    
 H   -7.85889387       1.61104500     -0.280679762    
 H   -6.35847044       1.27550638      -9.46918037E-03
 O   -1.24688864     -0.493710846       2.41946769    
 H   -2.00995660      -1.22566400E-02   2.77917027    
 H  -0.473554134     -0.127527997       2.84175587    
 O   -2.25421596      -1.16648054     -0.110343993    
 H   -1.74117231     -0.929190874      0.671737373    
 H   -3.14075851      -1.38972962      0.219206944    
 O   -3.00935245       1.05195451      -1.53757846    
 H   -2.63039374      0.262887150      -1.11409700    
 H   -2.29154396       1.51215088      -1.96426237    
 O   -4.66617489       1.17267811      0.773088217    
 H   -4.08147621       1.34076464       2.41102409E-02
 H   -4.79641247      0.209660247      0.801908970    
 O   -4.46747017      -1.89615929       3.72420359    
 H   -5.19159317      -2.46963882       3.99711204    
 H   -3.66391826      -2.43658996       3.66140842    
 O   -2.93594575      -3.60839105      -1.31956005    
 H   -2.52731895      -2.77152252      -1.06167376    
 H   -3.72301841      -3.38078952      -1.82903671    
 O   -6.66512585      -3.61775613       4.02077913    
 H   -6.33672953      -4.13221550       3.26053429    
 H   -6.95937061      -4.24408960       4.67580462    
 O   -6.64134598      -3.28498936     -0.236541659    
 H   -6.30110168      -3.20052314      -1.13612926    
 H   -7.36231327      -2.64872479     -0.121752262    
          69
 Energy    -248.24642434236554     
  O     14.41870932      9.66619528     -9.60944225
  H     15.22174204     10.16441896     -9.85078816
  H     13.31750139      4.97903605    -15.83742794
  O     15.90844250      5.01698987    -13.10183563
  H     14.04252864     10.09751758     -8.84744132
  H     15.59188577      9.62643568    -16.27827232
  O     16.56879561     12.48571364    -12.83985728
  H     15.27123004      4.96444004    -12.37707617
  H     15.16629369     10.87946383    -15.46129538
  O     17.93212304     10.61836537    -14.54570407
  H     16.80021285      5.10932947    -12.74278026
  H     15.74867193      6.84341511    -13.22624589
  O     11.62514895      8.92300947    -13.90499458
  H     15.71118348     12.24527829    -13.22947719
  H     16.67207442      8.09543348    -13.16266851
  O     18.09092734      6.88942047     -9.80229826
  H     16.65524470     13.43179866    -12.93071635
  H     14.75581278      6.44725110    -10.19719485
  O     12.04547672      6.15521055    -13.20193653
  H     17.60784748     11.29915529    -13.94373463
  H     14.98130608      7.85473163     -9.59324936
  O     14.23480132     11.52462624    -13.91737451
  H     17.31152250     10.61651024    -15.28437409
  H     19.33848429      5.30525871    -12.73422023
  O     12.91576122     10.50448596    -17.26511586
  H     11.42901085      9.80335084    -14.24598381
  H     18.59029128      6.65571581    -12.70645450
  O     15.05149667      5.01182097    -15.77116062
  H     12.35126485      9.04590622    -13.27296242
  H     13.29902037      4.58347373    -10.81108109
  O     15.28565349      7.84684184    -16.05735391
  H     18.27931702      6.33675278    -10.56815881
  H     13.13947331      5.60786631    -11.95529967
  O     12.34976008      5.09392781    -15.83333020
  H     17.12738195      6.87762814     -9.68752775
  H     18.67761049      8.82230502    -12.13639787
  O     15.62877189     10.59514095    -16.26175856
  H     12.09384217      5.73001460    -14.06759787
  H     18.38790359      9.17317849    -13.62688650
  O     15.76514809      7.80404726    -13.32253185
  H     11.73287151      7.05241616    -13.36277617
  H     19.76165761      9.56015507     -9.93978636
  O     15.35561187      6.96778692     -9.65105479
  H     14.11657230     10.78206773    -13.30580496
  H     18.64930569      8.48911504    -10.07343742
  O     18.55198946      5.73271256    -12.40319542
  H     13.36346016     11.70401683    -14.28930608
  H     12.18091177      8.21166104    -15.49521784
  O     13.76869332      5.25282988    -11.30299454
  H     13.86834700     10.61692914    -17.15904404
  H     12.33925017      6.91447353    -16.32368316
  O     18.46257814      8.43979973    -12.99700103
  H     12.74217641      9.55873796    -17.16084018
  H     16.65141672     11.51790796    -11.21596774
  O     18.93960446      9.36778066    -10.38225682
  H     15.39350557      4.88896007    -14.87488928
  H     17.44893103     10.47565307    -10.38866733
  O     12.50437432      7.86477202    -16.33958267
  H     15.30729952      5.90509230    -16.03369720
  H     12.04865363     11.23060309    -15.94030447
  O     16.62267065     10.97435316    -10.42004944
  H     14.32472879      7.85068790    -16.17667051
  H     10.99678507     12.18708083    -15.32908954
  O     11.66195516     11.54331746    -15.10189284
  H     15.44960947      7.86423427    -15.10280770
  H     14.49101831      8.75838775    -12.60475199
  O     13.79017753      9.35089473    -12.29176709
  H     11.97958012      4.34277943    -16.28821665
  H     13.89992682      9.46152589    -11.34046443
          69
 Energy    -248.24606097215855     
  O      1.19090227      1.72674456      4.55053476
  H      1.83205461      2.08209891      5.16116577
  H     -5.41855726     -2.35704554      4.90758560
  O      0.64298731     -0.24331745     -3.13864794
  H      0.86548955      0.89556455      4.94108056
  H     -2.08746797      1.41755240      1.96031993
  O      0.18420075     -0.55358986      5.61589595
  H      1.16594752     -0.98077033     -2.80126181
  H     -1.47029970      2.39801653      0.93362644
  O     -1.32030601     -0.16879024     -1.12851294
  H     -0.17445085     -0.25019072     -2.62103466
  H     -2.94587857      0.66359324      5.60643094
  O      2.17466660     -2.16947354     -1.62616082
  H      0.31621286     -1.45580851      5.30309957
  H     -3.29575258     -0.83701763      5.34651852
  O      3.06548394      0.12291387     -0.44792596
  H     -0.77090937     -0.45567206      5.73598682
  H     -3.42331533      1.31713602      0.22199497
  O     -4.69982954      2.05536308      3.01930204
  H     -0.82960856      0.55687031     -0.71958302
  H     -4.27622454      0.06992706      0.44576616
  O     -2.28288291     -3.60886044      3.82014804
  H     -2.25547439     -0.00471650     -0.94700148
  H     -1.98441272     -0.15872056      3.69360369
  O     -1.26263495      3.12083370      4.11885732
  H      2.91623811     -2.70388349     -1.89723549
  H     -1.06641056     -0.68758467      2.55143518
  O      1.81971208      2.02684814     -2.20966105
  H      2.54197056     -1.39630648     -1.16119656
  H     -0.69561945     -1.73942652     -0.58747836
  O     -4.55586309     -0.60570048      2.28718804
  H      2.80102667      0.83945033     -1.03807702
  H      0.57104443     -2.60825357     -0.76716069
  O     -4.56386297     -2.03802990      4.62984423
  H      2.75681600      0.37902169      0.43071418
  H      1.32525337     -0.05291446      2.01312310
  O     -2.21641388      2.28478769      1.53797109
  H     -4.41955979      2.22090772      3.92782224
  H      1.62760278      1.24322251      2.79388545
  O     -2.56843114     -0.21723310      5.48048978
  H     -3.97232354      2.36865061      2.46803650
  H     -3.64474037      3.08457361      6.23781181
  O     -3.81412865      0.56556618     -0.23988722
  H     -3.06913458     -3.17467105      4.16527430
  H     -2.63628238      2.75334426      5.10923961
  O     -1.85078348     -0.15930024      2.73712313
  H     -2.38550483     -3.63350996      2.85693693
  H      0.63596488      2.20044885     -0.75909816
  O     -0.26892977     -2.56084128     -0.29461380
  H     -1.50224451      2.99589803      3.19293033
  H      0.64044161      1.65212348      0.69267159
  O      1.69240868      0.84057704      1.92053574
  H     -0.41013551      2.68627307      4.24518966
  H     -0.65479189     -3.36629714      4.28771977
  O     -3.43752210      2.43903081      5.56781888
  H      1.40947726      1.26223509     -2.65262941
  H      0.67874798     -3.97674610      4.78536042
  O      0.06926057      2.01564371     -0.00055304
  H      2.11097562      2.62086846     -2.89564494
  H      0.52158720     -2.22775565      2.90147085
  O      0.28603431     -3.17254388      4.45817842
  H     -3.58609784     -0.62698144      2.30960465
  H      0.27078565     -2.04518072      1.35695415
  O      0.49282810     -1.58859973      2.17900745
  H     -4.79440084      0.29575037      2.55824382
  H     -3.27899853     -3.26779328      0.52958053
  O     -2.52419172     -3.52524399      1.05534482
  H     -4.69334182     -1.59160116      3.77574110
  H     -1.74422026     -3.30824939      0.52408051
          69
 Energy    -248.24601925109997     
  O     12.16298560      8.75986391    -15.71127081
  H     12.82355315      8.16065104    -16.08038320
  H     15.67997562      4.86969139    -14.45585576
  O     16.48480630      7.00609242    -12.33753538
  H     12.44562335      9.65883830    -15.91917170
  H     19.33222888     10.65469622    -13.82949850
  O     16.42742514     11.46189728    -11.93511090
  H     15.73972723      7.05533730    -11.72308644
  H     19.10326352      9.32106184    -14.56453684
  O     17.40363167     11.55063816    -16.26355433
  H     17.11644932      7.68513635    -12.06381035
  H     15.93548868     11.86118307    -17.13575846
  O     13.78813526      4.71503821    -14.64373198
  H     15.74462194     11.37949146    -12.61741170
  H     15.36120029     12.06638236    -18.54722738
  O     14.81173610     10.87735583     -9.78359770
  H     15.96226075     11.39068371    -11.08921540
  H     14.97597830      8.00718847    -15.01203402
  O     14.29707264      7.44066456    -10.68552408
  H     17.71467494     11.91306856    -15.42671545
  H     15.77823563      7.98639582    -13.67364252
  O     14.40072755     10.94014865    -13.71906941
  H     17.62606432     10.61014699    -16.24777111
  H     10.19345413      8.28264243    -13.31865892
  O     16.98390989      6.28574225    -16.88414878
  H     13.40629482      5.15034545    -13.86001023
  H     11.49074624      8.44784896    -14.14532880
  O     15.49187372      8.46341309     -8.34636602
  H     13.32484821      3.88886045    -14.75054484
  H     18.98417092      8.01475611     -8.77132072
  O     17.81667448      8.80559126    -15.84740003
  H     14.04610002     10.57798846    -10.29118110
  H     18.19390668      8.69268104     -9.90270279
  O     16.60198637      5.15583686    -14.44302449
  H     15.04755753     10.13904844     -9.21005934
  H     12.12174523      6.73162261    -12.77899595
  O     19.56268880      9.71715115    -13.81176337
  H     14.65446155      7.66987729     -9.81939969
  H     13.25588858      6.35437852    -11.80564574
  O     15.10687524     11.97368585    -17.63341527
  H     13.87488862      8.24275234    -11.02764455
  H     18.76124296     13.17823117    -13.40883228
  O     15.46992080      8.55625768    -14.39078171
  H     13.89285916     11.26335629    -14.47026560
  H     17.71741240     12.11520958    -13.00910560
  O     11.14447557      8.26912332    -13.25232972
  H     14.78912392     10.09254600    -13.99370575
  H     18.69963336      9.27359201    -12.32076061
  O     18.13546554      8.39618977     -8.97956993
  H     17.39640859      5.66065432    -17.47407268
  H     17.45418308      9.93613871    -11.67914597
  O     12.72975937      6.01986101    -12.54283380
  H     16.93850644      5.85626777    -16.00976895
  H     12.24687952      9.27237037    -12.10137715
  O     18.38125520     12.34592886    -13.67947545
  H     16.44966872      8.41722431     -8.51153093
  H     13.44990688     10.19496210    -12.36483900
  O     18.05132574      9.17993920    -11.60755654
  H     15.36690259      8.33581358     -7.40966172
  H     13.71510604     11.64780520    -16.67235261
  O     12.98693839      9.71180437    -11.66508514
  H     17.02417490      8.83158988    -15.29011714
  H     12.32916902     12.17474286    -16.23707396
  O     12.96122774     11.47807588    -16.07982343
  H     17.73146386      7.98793519    -16.34854099
  H     14.01536869      6.13254321    -15.81374312
  O     14.24425072      6.92575246    -16.31938095
  H     16.69008411      5.71313061    -13.65781782
  H     15.11012151      6.75750503    -16.71178890
          69
 Energy    -248.24587612461985     
  O     14.15008820      9.34829908    -10.69351480
  H     14.03564898     10.03427927    -11.36386406
  H     16.86429439      4.02831334    -12.51971854
  O     13.96006348     11.40430798    -16.43723124
  H     13.48811454      8.65596652    -10.84218906
  H     12.42155288      6.95070762    -12.18889833
  O     17.03198485     10.87766883    -13.08613021
  H     13.89622711     12.14382265    -15.81960158
  H     13.25189522      6.41848836    -11.00494357
  O     16.36375308      6.40233157     -8.45292752
  H     13.53312927     10.65833503    -15.99776201
  H     18.48401411      7.69319763    -14.91723831
  O     16.83284215     13.06126492    -14.84703627
  H     16.07521147     10.86142241    -12.95136226
  H     18.80693694      7.11537259    -13.53634057
  O     15.80488231      7.57876964    -12.12407037
  H     17.45725511     10.71992437    -12.23445510
  H     15.14221491     13.40671069    -14.54220641
  O     14.18863031     11.02438152    -12.89667828
  H     16.44180040      6.07792156     -7.55957481
  H     13.91914606     14.32272073    -14.28801012
  O     18.55526857      7.68720406    -11.76501574
  H     17.14319637      6.07899452     -8.94090716
  H     13.99192518      8.85290314    -14.85802713
  O     18.28694030     10.27597042    -10.63485974
  H     16.89177119     12.59689344    -15.69103831
  H     12.52717869      8.53372328    -14.54674792
  O     16.85055924      4.75419161    -14.06727947
  H     17.05377801     12.40211371    -14.17404197
  H     16.68851432     11.55531236    -18.07415485
  O     14.34868483      5.57367308    -15.40971257
  H     15.32787625      8.27340925    -11.65194228
  H     15.64139473     11.32439693    -16.95962630
  O     16.81356821      3.67032330    -11.61432947
  H     15.51077578      6.74854738    -11.72832855
  H     12.82190659      6.17619780    -14.50529989
  O     12.62904895      7.11198979    -11.26178432
  H     14.10005944     11.90895386    -13.27181157
  H     11.29871085      6.15349903    -14.26821586
  O     18.63720773      6.86192504    -14.45420241
  H     13.74257298     10.42284116    -13.50960221
  H     15.23782204      5.74547544     -9.80906280
  O     14.17968711     13.41184060    -14.39079017
  H     18.70036243      8.55967755    -11.38333332
  H     15.40482248      4.70194537    -10.94124321
  O     13.11344069      9.26010687    -14.77884367
  H     17.59749505      7.63138450    -11.91088152
  H     17.95544082      4.80797496    -10.58402237
  O     16.59640570     11.34849280    -17.14789910
  H     18.85829395     10.83706081    -10.11782258
  H     18.58527498      6.22087640    -10.62811348
  O     12.09269847      6.64796858    -14.07506471
  H     17.61831963      9.91511743    -10.02399005
  H     15.62507149      7.77286839    -13.86559544
  O     14.83881458      5.41962995    -10.62814698
  H     17.47016923      5.46706130    -14.28535346
  H     16.26047146      8.41291464    -15.13289610
  O     18.35638054      5.49248857    -10.03404269
  H     16.02469733      4.93912708    -14.52198350
  H     16.38861326      8.27626866     -8.79608471
  O     15.48543224      7.93724672    -14.81149116
  H     14.80015652      6.43169496    -15.30841220
  H     15.52120421      9.33728441     -9.50410228
  O     16.37386429      9.20191687     -9.06538376
  H     14.40473707      5.34222426    -16.33437093
  H     17.57755908      9.91275924    -14.55393270
  O     17.70320775      9.43758227    -15.38954119
  H     16.95874316      2.73083442    -11.68267097
  H     17.44052365     10.04786944    -16.08981813
          69
 Energy    -248.24578264663700     
  O     19.82171111     10.93522817    -10.56662331
  H     20.77633639     11.03424578    -10.45577947
  H     17.73147764     10.28854410     -8.38175218
  O     18.64970460      7.11184232     -9.36070454
  H     19.41293592     10.99027636     -9.69381459
  H     18.70619724     10.89188262    -13.52025732
  O     20.00127946      4.37463814    -11.34127088
  H     19.15464786      7.50265544    -10.09167705
  H     18.70756595     11.19406510    -12.01388487
  O     20.80316249      5.59709791    -13.88379822
  H     18.16930552      6.36893666     -9.74315312
  H     22.59394149      9.94173655     -9.93868967
  O     22.40703238      8.45845916     -9.06639125
  H     19.07550582      4.62568159    -11.19254038
  H     23.31245828     11.30803816    -10.03639763
  O     17.39046503      5.20244372    -10.95576100
  H     20.00583627      3.42352577    -11.43227999
  H     19.26867562      7.95675633    -13.14686341
  O     22.43446651      7.33533494    -12.50863129
  H     20.14608751      6.26907470    -14.11550167
  H     19.35496679      8.60406970    -14.53332622
  O     20.14746543      8.59864429     -7.49132311
  H     20.46158528      5.14343973    -13.10498826
  H     14.95917012      6.37931787    -12.85539076
  O     14.33281846      7.64751860     -9.15882469
  H     21.68074150      8.54579000     -8.42995854
  H     13.69551928      7.05672397    -12.30883499
  O     22.20719047      5.76327497    -10.15795911
  H     22.36507708      7.55174240     -9.38438503
  H     16.38479109      9.42066212    -10.82615603
  O     19.92173055      8.27583062    -11.48516371
  H     17.21144365      5.82924501    -11.67394358
  H     16.78060937     10.10128924    -12.17917654
  O     18.45717178     10.87394753     -8.10245731
  H     16.53000545      4.96608699    -10.58923142
  H     16.51324525      7.87898920    -12.50512579
  O     18.12336532     11.08579238    -12.77752902
  H     22.61851385      6.82095536    -11.71521289
  H     17.44876826      7.20621788    -13.53010426
  O     22.60141145     10.79508123    -10.41028959
  H     21.98361738      6.72973445    -13.11710093
  H     22.49014125      9.08784825    -13.05814250
  O     19.07466744      7.79810159    -14.08506065
  H     19.63113990      7.95053617     -7.99053673
  H     22.45298337     10.41824296    -12.29868116
  O     14.07450135      6.19187235    -12.51084149
  H     19.64197815      9.41777996     -7.53762849
  H     15.83640905      8.58891196     -8.94174518
  O     16.14619350      9.50167687    -11.75911475
  H     14.45277034      6.71562490     -9.37600956
  H     17.36180168      8.33323870     -9.11580691
  O     16.71789454      7.03039232    -12.92392894
  H     13.89090706      8.04152698     -9.92167044
  H     12.89899276      9.55493787    -11.87453009
  O     22.29018335     10.02891375    -13.16509957
  H     22.71507885      5.09484646     -9.70256251
  H     14.39182661      9.17361499    -11.75477487
  O     16.69208006      9.02946985     -9.04636166
  H     21.41300933      5.32140588    -10.49319179
  H     20.88781931     10.27069290    -14.19858881
  O     13.48504803      8.84108714    -11.63753502
  H     20.82704560      8.06116219    -11.74211862
  H     20.34222138     10.81327796    -15.53782925
  O     20.08836526     10.33919372    -14.75057222
  H     19.89896972      9.20618526    -11.22369721
  H     14.40445662      5.31456441    -11.03304611
  O     14.69866047      4.94961650    -10.17822568
  H     18.07506225     11.52970522     -7.52515679
  H     14.10362815      4.23587778     -9.96416588
          69
 Energy    -248.24576085306376     
  O     -0.55506634      1.54333614     -3.13679108
  H     -1.10815446      2.29241963     -2.93226041
  H      2.99676620      3.18866869     -7.11634554
  O     -0.41540291     -4.72814123     -5.29199504
  H     -0.34256990      1.59704727     -4.08614561
  H      2.75558594     -2.20089210     -2.14084160
  O     -1.44294579     -5.33130371     -1.55719470
  H      0.15769571     -4.72181736     -4.51383914
  H      1.86216340     -1.78537552     -3.31825142
  O     -2.79947690     -2.99286313     -1.76433098
  H     -1.19526660     -5.24815848     -5.05083429
  H     -2.31093621     -5.81421302     -3.25133286
  O      2.07751982      0.97032429     -2.21040473
  H     -1.65221191     -5.78956990     -0.74753167
  H     -3.28016974     -5.09171656     -4.20434138
  O      0.95312083     -4.65026188     -2.85370893
  H     -1.94065568     -4.49422734     -1.54548565
  H     -4.83153587     -3.02559109     -4.79997591
  O      0.25491992     -1.04344992     -6.87721427
  H     -3.38317982     -3.06679564     -2.52970944
  H     -3.29587998     -2.86749854     -4.73402018
  O      4.98267962     -1.61426379     -7.29969315
  H     -2.17234384     -2.28885436     -1.97848004
  H      3.38367966      1.55185983     -5.12243257
  O     -0.85893114     -1.19084905     -2.71297996
  H      2.01625732      0.02695232     -2.02674504
  H      3.15100513      1.06980460     -3.64874614
  O      4.57627984     -2.62872095     -2.35210892
  H      1.18328663      1.25368895     -2.44120507
  H      4.99314033     -0.31026785     -4.38873936
  O      0.11133389      1.60257257     -5.75082247
  H      1.18622807     -3.75944678     -2.56658159
  H      5.49477945     -1.34298379     -5.39981479
  O      2.67976756      2.44468340     -6.61199454
  H      0.19056989     -4.93357579     -2.33165698
  H      2.69946017     -2.16436946     -5.38381682
  O      1.84392866     -1.96894951     -2.36259447
  H     -0.56303897     -1.38147956     -6.48862758
  H      2.75010335     -0.66007089     -4.92109981
  O     -2.66363670     -5.83228987     -4.14978853
  H      0.92918466     -1.17364149     -6.18806382
  H     -1.36659441     -1.84521583     -4.36515177
  O     -4.05791829     -3.29918325     -4.31375497
  H      5.61922953     -1.90221165     -7.94954137
  H     -1.20847577     -3.10727927     -5.26002767
  O      3.65344329      0.90552323     -4.46055514
  H      4.49902080     -2.40970001     -7.01137170
  H      3.50680918     -0.48757329     -7.78155172
  O      5.48199744     -1.14418291     -4.45780700
  H     -0.83592929     -0.22881547     -2.80564933
  H      1.95638610     -0.37432328     -7.85642187
  O      2.18614142     -1.44214996     -4.99664533
  H      0.02684684     -1.46994966     -2.45193150
  H      2.64794638     -3.79957696     -6.77842106
  O     -1.64874059     -2.24522092     -5.19969671
  H      4.93529257     -2.12088780     -3.10162703
  H      3.54359727     -4.15121603     -5.52365449
  O      2.77694147      0.11402520     -7.97806159
  H      5.27142341     -2.67829768     -1.70087827
  H      4.01193562     -4.20544196     -3.31845779
  O      3.45821404     -3.57590217     -6.29690833
  H      0.05393139      0.77343272     -6.23953747
  H      2.70434264     -4.99480382     -3.51576938
  O      3.58485012     -4.85724853     -3.88780227
  H      0.93484054      2.01927735     -6.03351401
  H      0.68844398     -2.93606678     -7.54699450
  O      1.02203000     -3.83726415     -7.49730586
  H      2.75865349      1.65892072     -7.18389326
  H      0.48841411     -4.27585649     -6.81759235
          69
 Energy    -248.24567340500067     
  O     -0.12229553     -4.48536495     -2.90050185
  H      0.28595647     -5.19013829     -3.39734631
  H     -0.75814357      1.86462673      1.14954551
  O     -3.80053774      0.90510704     -1.88176171
  H      0.57919289     -3.84308984     -2.69708823
  H     -0.85408884      0.38449967     -2.01202603
  O     -0.16057017      0.13138241      1.43720109
  H     -2.90560060      1.06880999     -2.21173946
  H     -0.61594362      1.89926041     -2.25429452
  O      1.67094847     -2.54358083     -2.19449100
  H     -4.02746697      0.01168844     -2.16413598
  H     -3.41031683      0.33846874      1.46729767
  O      2.93081180     -0.48454711      3.70098639
  H      0.06648728     -0.49453584      2.14121175
  H     -1.99649119     -0.21960147      1.70375849
  O     -0.22682889     -0.48337728     -4.65596539
  H     -0.20970155     -0.33805313      0.58781609
  H     -0.44729187     -1.79052741      3.80536401
  O     -0.91636143     -4.49726784     -0.13885204
  H      2.25554792     -2.56590931     -1.42524214
  H      0.62175351     -2.42554323      2.85173903
  O      2.65017976      0.18840837      1.06079257
  H      1.99922148     -1.85392557     -2.78737597
  H      0.44985388      4.12990471     -1.53285213
  O     -1.95289970     -2.52905066     -3.90699150
  H      2.06840234     -0.93048420      3.74010920
  H     -0.15000035      3.09107148     -0.55522230
  O     -4.18195655     -1.81931593     -2.59893672
  H      3.12510352     -0.20809244      4.59273774
  H     -3.92155433      1.55927418     -0.30663509
  O     -0.42427482     -1.06203031     -0.98229730
  H     -0.60521994      0.19214043     -4.07539338
  H     -4.67431222      2.45696634      0.70736679
  O     -1.14534396      2.68016283      0.80357631
  H      0.71916222     -0.45706518     -4.47781853
  H      4.04551760     -2.62921964      0.43484748
  O     -1.11776609      1.13689967     -2.56362268
  H     -1.66053347     -3.88042224     -0.11989625
  H      3.02369980     -1.47235167      0.44438580
  O     -2.93401922     -0.44434467      1.77282606
  H     -0.70534546     -4.62467245     -1.07061160
  H     -2.65895709     -1.42041307      3.34229165
  O      0.43573951     -1.66909172      3.43437324
  H      1.69413804      0.31467316      1.11293995
  H     -2.76645066     -2.72647764      4.14100523
  O      0.39896083      3.19492203     -1.35309883
  H      2.93210194      0.05951122      1.97909151
  H      0.34383941     -3.95888080      1.02701005
  O     -3.90992675      1.89647940      0.60859282
  H     -1.39967084     -3.26132581     -3.61457858
  H      1.74759786     -3.29961053      1.08940806
  O      3.17770043     -2.37691206      0.12791079
  H     -1.35430894     -1.85181192     -4.25419428
  H     -3.36821597     -2.23182199     -0.99558959
  O     -2.26330048     -1.91733765      4.07388315
  H     -4.93566953     -2.21232512     -3.02984959
  H     -2.97826509     -1.77599002      0.44964083
  O      1.00130990     -3.57873001      1.62827651
  H     -3.39763596     -2.06860252     -3.12359760
  H      1.84094585      1.99226755     -1.48012708
  O     -2.77171509     -2.40267681     -0.25513272
  H      0.24973760     -1.60269152     -1.40883127
  H      2.70675846      0.99890505     -0.66966047
  O      2.50645114      1.29789485     -1.56430342
  H     -1.20638440     -1.61267636     -0.84024235
  H      2.51536357      0.26022424     -2.95664151
  O      2.50671687     -0.37061239     -3.69908286
  H     -2.09547265      2.52239087      0.75189765
  H      3.25541367     -0.15624282     -4.24899048
          69
 Energy    -248.24566032400327     
  O     11.66556850      8.88075170    -10.57752850
  H     12.35786722      9.35663426    -10.09372562
  H     15.09646337      7.17496836    -17.00628893
  O     14.83475875      5.43310393    -12.11777841
  H     11.51831361      8.06660739    -10.10066360
  H     18.72453491      6.45559021    -12.98231070
  O     14.75084174     11.78596653    -11.44661200
  H     15.31751768      5.37867087    -11.28453322
  H     19.69355857      6.11462961    -14.14029144
  O     17.50286166     11.80875740    -12.30807007
  H     15.41626376      5.14508685    -12.84105051
  H     16.70950496     10.05155066    -14.78641755
  O     12.37273958      8.92989897    -17.25569429
  H     15.69596212     11.87699599    -11.61151073
  H     15.57023668     11.09565160    -14.51063800
  O     16.27574467      5.70769356     -9.71940751
  H     14.33575720     11.78940118    -12.31868316
  H     15.89536133      8.17082245    -13.34838845
  O     12.58627458      7.19542575    -15.05659589
  H     18.10631040     12.54363725    -12.37870129
  H     15.15099927      7.21188282    -12.37204659
  O     13.81704920     11.39263018    -14.09951912
  H     17.23706061     11.57664406    -13.21434756
  H     12.30577832      4.05610896    -13.48677026
  O     15.48522099     10.86105263    -17.42151171
  H     12.29851927      8.28947589    -16.53519161
  H     13.21275797      5.12863345    -12.86659645
  O     16.34724854      4.90944814    -14.32925540
  H     13.14818657      8.66531890    -17.76494043
  H     17.54563134     10.16559845    -11.39788329
  O     16.95479320      8.28445181    -14.81576022
  H     16.03263495      6.59920939     -9.41125676
  H     16.59750034      8.94558359    -11.51777892
  O     15.10965479      6.73517041    -16.14665546
  H     16.39217630      5.17207614     -8.93902403
  H     17.82321110      6.26556900    -10.76334218
  O     18.79116051      6.35422010    -13.94917976
  H     12.40313822      6.37838108    -14.57307952
  H     18.25540368      7.67864279    -11.18427710
  O     16.50904497     10.99855225    -14.73328380
  H     12.60229163      7.89757936    -14.39019765
  H     15.00722228      8.88230168     -9.05591576
  O     15.34987502      8.14103090    -12.55076535
  H     13.41209865     11.58016943    -14.95439095
  H     16.44745567      8.71344963     -9.53697674
  O     12.40498251      5.00025196    -13.38928379
  H     13.38349022     10.59351787    -13.76114015
  H     15.21945330      8.32806056    -19.32527547
  O     17.36881024      9.29010152    -11.03829304
  H     14.60753216     11.22863399    -17.25458652
  H     15.22388334      9.25598859    -18.08776716
  O     18.46688868      6.74115492    -11.29990983
  H     15.98626066     11.00072256    -16.60969838
  H     14.11768592     10.82669866    -10.12586621
  O     15.76245157      8.28605728     -9.00301361
  H     17.23534275      5.27923552    -14.25367908
  H     13.62039647     10.93218595     -8.66984973
  O     14.95475063      8.37750149    -18.41076632
  H     15.91844821      5.38975776    -15.05005746
  H     12.56070567     10.62479227    -16.89018214
  O     13.76213989     10.31084991     -9.38031119
  H     16.33352327      7.76491180    -15.34722617
  H     12.13790248     12.09240748    -17.13884443
  O     12.80123705     11.55322893    -16.71712943
  H     17.68521767      7.70031555    -14.57595850
  H     12.29972589      9.01479218    -12.25898071
  O     12.83802013      9.07876530    -13.05847680
  H     14.23346183      6.86438801    -15.75488821
  H     13.73244150      8.78711599    -12.82111326
          69
 Energy    -248.24555592566307     
  O     11.08600138      8.94433184    -12.65454686
  H     10.15017212      8.77374673    -12.72027652
  H     15.34540059      8.90724310    -17.68065783
  O     16.59379396      7.75108708    -15.25811408
  H     11.50369119      8.10898637    -12.37741578
  H     18.89185210      9.58577389    -14.43758821
  O     16.78380140     10.35890098     -9.19467771
  H     16.17347420      7.71747899    -16.12687998
  H     18.11097886      8.89288793    -15.54310887
  O     16.23882432     12.32370888    -13.68596955
  H     16.14798211      8.44766244    -14.75437710
  H     13.13258183     13.96334815    -13.48791458
  O     13.28406336      6.85198695    -16.16456312
  H     17.16738679     10.86247596     -9.93653348
  H     13.17759260     12.48268028    -13.04635484
  O     17.09706529      7.55761955     -9.13721702
  H     16.72902557     10.95966308     -8.45607889
  H     15.76722808     10.58609459    -13.66115076
  O     16.00832721      6.01393424    -13.15991736
  H     16.66235248     12.36084732    -14.55404096
  H     15.21868019      9.61743935    -12.58331461
  O     14.61928552      9.66873475    -10.88053050
  H     15.36025061     12.72180647    -13.74594715
  H     13.12832292      6.68337353    -11.43982988
  O     17.58455098     11.97925100    -16.12233967
  H     13.07156774      7.67595248    -15.70251495
  H     12.65975406      6.07697583    -12.77052884
  O     18.33190897      6.72321698    -11.62448782
  H     13.92233795      7.10465426    -16.84123649
  H     17.44603975      9.31893259    -12.92156053
  O     15.40203954     10.59769529    -17.37964373
  H     17.06687682      8.52683659     -9.13515035
  H     18.50281041      8.38237637    -12.29923681
  O     15.35824992      7.93601192    -17.77004474
  H     17.43204345      7.29152935     -8.28379864
  H     13.23415477      4.22178926    -14.42755149
  O     18.71400317      9.63081705    -15.38605884
  H     16.29758196      6.55398059    -13.90942514
  H     13.44264192      5.67743800    -14.90995664
  O     13.55682263     13.12865641    -13.66890722
  H     15.21635820      5.55405344    -13.46639495
  H     17.22771525     12.03590445    -12.07291990
  O     15.53437724      9.66102787    -13.49636329
  H     14.58668733      8.70477161    -10.80299929
  H     18.16850831     10.86131051    -11.76191373
  O     12.37445138      6.64169918    -12.04139896
  H     15.29098658      9.97978695    -10.26284685
  H     12.95237242     10.78218992    -15.71093881
  O     18.36638240      9.27945426    -12.63535947
  H     18.05276967     11.15680850    -15.88964653
  H     13.26816244     12.24131059    -15.36092733
  O     13.52951552      5.08238744    -14.14286401
  H     18.20066403     12.51739534    -16.61232357
  H     15.57546564      6.98886903    -10.11687475
  O     17.73342509     11.62812573    -11.35921964
  H     17.62414612      6.29892284    -12.12669635
  H     15.29028687      6.63419445    -11.60143509
  O     13.18505554     11.63466610    -16.10480449
  H     17.97489537      6.90533891    -10.74715083
  H     11.93654189     10.58296689    -12.14690062
  O     14.87435337      6.92715914    -10.77617373
  H     14.60657284     11.02089928    -17.02441216
  H     13.28647675     10.79263572    -11.46165489
  O     12.58974818     11.26171048    -11.94059639
  H     16.14887533     11.09778481    -17.03538385
  H     13.79585689      9.37225466    -14.28501316
  O     12.95662892      9.20211979    -14.72963261
  H     15.66952675      7.74677240    -18.65062390
  H     12.27628430      9.14446778    -14.04693183
          69
 Energy    -248.24553108075065     
  O      2.08846115     -3.28775380     -3.17985800
  H      2.25198578     -3.24450555     -4.11801205
  H     -1.09937994     -6.22039064     -1.35587121
  O      0.59756658      0.55139024      1.87255745
  H      2.92167559     -3.57486632     -2.76197302
  H      1.58304769     -6.05606049      0.97360532
  O     -1.64100973     -3.42884243     -0.01723869
  H      0.22228219      1.39082816      2.12449416
  H      2.81592039     -6.06127455     -0.00467397
  O      2.94705491     -5.61818281      4.14126163
  H     -0.01321189      0.15346067      1.22467760
  H     -0.48638694     -3.29425967      2.98758132
  O      5.46810472     -1.79440361     -0.53792421
  H     -1.02296675     -3.83364149     -0.64162045
  H     -1.15595460     -3.81663484      1.69395223
  O     -2.99994514     -5.98046959      2.43657076
  H     -2.47635298     -3.90507829     -0.10057821
  H      4.90655751     -4.08386605      2.15672800
  O      0.73783757     -6.24192183      2.59616215
  H      2.15840838     -5.87991237      3.63976046
  H      4.32867015     -5.30110101      2.89976321
  O     -0.89053708     -0.70256810     -0.00209333
  H      2.98566184     -6.19024020      4.90458868
  H      1.16673544     -2.41156273      2.33033195
  O      1.46480439     -1.31076546     -1.28840528
  H      5.26038872     -1.98041871      0.38924217
  H      0.68425213     -1.04985817      2.86533819
  O      1.92870400     -3.09207477      0.83939614
  H      5.14298153     -0.90466755     -0.68265536
  H      2.29962632     -2.40138627      4.15122951
  O      4.29007946     -2.24637204      1.96042581
  H     -2.38181458     -5.28177244      2.69300078
  H      3.09352539     -3.68362344      4.45033955
  O     -1.70317368     -6.83124751     -0.91544632
  H     -2.45420966     -6.75456671      2.25260753
  H     -1.28663081     -7.61753760      0.59713743
  O      1.89733157     -5.78450336      0.10159291
  H      0.18372454     -5.44730256      2.63999996
  H     -1.27312589     -8.92371596      1.42438092
  O     -0.95192588     -4.05175263      2.61157470
  H      0.15838581     -6.96020383      2.31016550
  H     -4.80409277     -5.11169416     -0.10673723
  O      4.94458395     -5.04589936      2.20130247
  H     -0.13937428     -0.82758991     -0.60169593
  H     -3.67365342     -5.46433200      0.89204155
  O      0.80033892     -1.97386605      3.11605561
  H     -1.30696786     -1.57114451      0.05232202
  H      5.25820141     -6.93841824     -0.32266022
  O      3.17229133     -2.72324184      4.41900372
  H      2.18864689     -0.81071382     -0.88560680
  H      4.83068765     -5.83503865      0.67805752
  O     -1.13682045     -7.98222799      1.48805736
  H      1.78937739     -1.84901827     -2.01944989
  H      3.56400863     -0.54993887      1.11812370
  O     -3.85730638     -5.17772971     -0.02065807
  H      1.94768721     -4.00895860      0.54318177
  H      2.31577342      0.33634752      1.00026364
  O      4.63220164     -6.23221224     -0.18956754
  H      1.68463849     -2.53910919      0.08616692
  H      0.75334177     -5.22945301     -1.12139197
  O      3.10567247      0.05152820      0.52074073
  H      4.06280970     -2.26850136      2.90143645
  H      0.66964379     -4.29076138     -2.34017264
  O      0.12846507     -4.80107416     -1.72784379
  H      3.50800367     -2.58699577      1.49524491
  H      4.52624257     -4.73938473     -1.39032454
  O      4.36002478     -3.95406146     -1.92188255
  H     -2.51412271     -6.33116570     -0.75740905
  H      4.81852790     -3.21930498     -1.49038018
          69
 Energy    -248.24540039244158     
  O     19.05944362     14.86488264    -14.27248502
  H     18.48934456     14.10557497    -14.07574771
  H     18.04379147      9.85984462    -11.92383450
  O     17.06608261     11.29631980    -15.88962679
  H     19.87886554     14.72112042    -13.77929318
  H     14.41612700     12.13510705    -13.50511556
  O     19.02905911     11.33076266    -11.81116497
  H     16.79213458     10.41851556    -15.59751674
  H     14.58490745     13.63455414    -13.97567346
  O     19.20530417     14.16507286    -16.97410739
  H     17.21224154     11.81182283    -15.07957457
  H     19.09829565      7.77350789    -16.08321121
  O     19.52815301     13.65937001    -10.33092935
  H     19.21313618     12.04283335    -11.18719031
  H     18.36290291      6.44902384    -16.39615118
  O     21.74996606      8.69689566    -13.79098911
  H     19.74360130     11.32530358    -12.46664530
  H     21.36769167     10.50729104    -13.72570974
  O     17.16063634     15.08978038    -10.63229678
  H     19.23697125     14.54658827    -16.08432154
  H     20.60225910     11.50592942    -14.63460289
  O     21.18068080     14.03885509    -12.70891375
  H     18.26921801     14.09899393    -17.18726119
  H     17.87835058     12.21365910    -12.91254617
  O     19.44078078      7.42234431    -13.14058748
  H     19.84698881     13.81521210     -9.44493033
  H     16.50628042     12.84705072    -13.33248247
  O     15.46785679     12.73298930    -10.63304821
  H     18.72629301     14.19516934    -10.43807590
  H     15.28684632     10.98391798    -10.65578749
  O     20.46988809      8.81921450    -16.36242108
  H     22.50461811      8.19544442    -13.49482640
  H     14.58147366      9.73784755    -10.07421822
  O     17.45117048      9.10658724    -12.06683634
  H     20.95699227      8.22431942    -13.47975167
  H     14.38072873     15.56694880    -15.68830308
  O     14.65809431     13.03290959    -13.22762453
  H     16.84910685     15.78843676    -10.06158799
  H     15.46562068     14.51154737    -15.98302052
  O     18.36773302      7.19393961    -15.80130621
  H     17.00685379     15.39772575    -11.54296678
  H     14.85616311      9.78724176    -14.05906081
  O     20.98056576     11.39152415    -13.75124763
  H     21.28261614     13.14288949    -13.05815201
  H     14.42742366     10.14194096    -12.62514254
  O     17.42255100     12.70987530    -13.60368199
  H     20.73505440     13.94635727    -11.85904970
  H     19.81373482     12.45910247    -16.62829317
  O     15.12267528     10.03530804    -10.80093962
  H     18.75711040      7.89493481    -12.64780063
  H     18.87766725     11.32883857    -16.19262358
  O     14.98612146     14.95949459    -15.26873389
  H     19.04486071      7.19428364    -13.99073659
  H     16.80530209      8.98112281    -13.78355147
  O     14.25306088     10.34523853    -13.55292719
  H     15.03277334     12.91885841    -11.48012866
  H     16.98772237      8.24344245    -15.13077498
  O     19.81324303     11.55154860    -16.29454196
  H     16.07050346     13.47004276    -10.49774040
  H     17.64927832     15.80030970    -13.58669707
  O     16.44251618      8.89887523    -14.67812971
  H     20.32631568      9.76541575    -16.49730545
  H     16.13403122     15.71915371    -13.82542963
  O     16.79144891     15.98740472    -13.17582725
  H     21.04198202      8.74934882    -15.58842342
  H     16.07280964     13.33772880    -18.16805511
  O     16.32055711     13.52962498    -17.26650993
  H     16.65439619      9.29476156    -11.55626279
  H     16.54221849     12.67673483    -16.85373594
          69
 Energy    -248.24538790088516     
  O     14.22694120     11.48809495    -14.90760369
  H     15.04543883     11.99360556    -14.96300213
  H     12.48913362      6.91023236    -15.77293363
  O     14.70946010      6.59078644    -13.74387717
  H     14.51697652     10.56286350    -14.82955640
  H     18.91930066      5.29148559    -16.51966452
  O     18.56524292      8.29453032    -12.35691339
  H     15.59816319      6.21440719    -13.70555387
  H     17.89402571      6.44951164    -16.52410616
  O     17.65829508      9.91417620    -16.23454466
  H     14.25053114      6.31747459    -14.55194526
  H     17.57228903     13.00509178    -14.47360023
  O     11.22797900      8.28875893    -15.37489757
  H     18.68682964      8.08069074    -11.42378422
  H     16.99951869     11.71608827    -13.84452869
  O     16.11204158      8.60932527     -8.94548742
  H     17.99778092      9.07688103    -12.39061276
  H     16.16630550      9.07872725    -15.30097092
  O     13.61804814      7.67144392    -11.49643216
  H     17.52438659     10.78350200    -15.84606015
  H     15.20292248      8.18552418    -14.42253541
  O     16.75496882     10.39309918    -12.61557075
  H     18.41956099      9.50592791    -15.78999896
  H     13.34960621     11.69438792    -13.35429863
  O     14.22453135      7.92965310    -18.18043099
  H     10.29142762      8.13743817    -15.47302362
  H     12.44595422     12.53500804    -12.42374789
  O     14.69710311      6.15818331     -9.40262556
  H     11.36632877      8.58158691    -14.45689837
  H     17.10710586      5.40262742    -11.59804583
  O     16.91008932      7.55113700    -17.43171909
  H     15.63771425      9.27747391     -9.45544501
  H     17.62634502      6.02194512    -10.28444813
  O     13.23016323      6.33805080    -16.01241785
  H     15.55811950      7.81794826     -8.96253119
  H     11.98067938     10.03751297    -12.69167582
  O     18.50052080      5.93806326    -15.95814761
  H     13.85011581      7.10565439    -10.75106430
  H     12.23713383      8.56450797    -12.31514201
  O     16.99410962     12.26610043    -14.64621013
  H     13.99086359      7.25759443    -12.29047561
  H     19.39309986      7.55416131    -15.30877062
  O     15.46325796      9.08783749    -14.64010559
  H     16.12730443     10.41098122    -11.88181911
  H     19.40114538      8.40081595    -14.02075603
  O     12.91533030     11.70669116    -12.48517654
  H     16.31627464      9.87961693    -13.31373105
  H     17.77805768      5.81471823    -14.26285564
  O     16.98711776      5.39176997    -10.64010047
  H     13.91586506      7.88981300    -19.08223005
  H     17.76166117      6.78314364    -13.05525222
  O     11.67271878      9.13870869    -12.85110540
  H     13.79983846      8.70706107    -17.77799053
  H     19.14532393      7.66117969     -8.91894627
  O     19.58685712      8.43619137    -14.96883817
  H     15.47904003      5.80239012     -9.86257232
  H     17.70757545      8.02977007     -9.35920553
  O     17.37927670      5.96110449    -13.39578499
  H     14.37339807      5.46630683     -8.83259781
  H     12.25738628      9.46179363    -16.41483589
  O     18.53448278      7.60351405     -9.64843382
  H     17.21856050      8.44688007    -17.23439435
  H     13.25225100     10.64362666    -16.37974665
  O     12.88091601      9.96657002    -16.95537734
  H     15.99475738      7.63878715    -17.72234865
  H     14.31097281      9.28564487    -11.07322128
  O     14.65098436     10.16172002    -10.83067765
  H     13.61322788      6.73905228    -16.80165858
  H     14.05347197     10.79778709    -11.24066843
          69
 Energy    -248.24533086536161     
  O     15.79878868     12.68071413    -16.87600296
  H     15.66635318     13.61020236    -17.04066530
  H     18.30767651      5.17175994    -12.63277294
  O     15.23701159      6.34911815    -13.19458340
  H     15.36835968     12.49789851    -16.02437728
  H     18.25819200     10.04995314    -17.48319569
  O     19.28530077      8.37367722    -12.45093773
  H     15.97117197      6.29341603    -12.56662442
  H     19.68880831     10.61560458    -17.63051680
  O     17.60754825      5.72063386    -17.08341288
  H     14.75547952      7.16284820    -12.99284013
  H     17.13782073      6.94853738    -15.75631131
  O     14.80564973      5.73607017    -17.73954324
  H     18.94656859      8.95801199    -13.14513392
  H     16.25323191      7.11257045    -14.48039250
  O     14.12840193      8.85605939    -12.70822049
  H     19.91507750      7.79201732    -12.89361162
  H     15.11437330     11.68726070    -13.81424358
  O     18.14661597      9.81784215    -14.52279973
  H     17.63776479      4.89912848    -16.57294846
  H     13.93641690     11.29003244    -14.72539617
  O     17.49596740      3.49525162    -15.37131920
  H     16.73741822      5.75226832    -17.49902546
  H     15.50741333      7.92669737     -9.44957758
  O     13.92302041      8.49465238     -9.97567135
  H     14.32857311      5.19381045    -18.36168156
  H     16.42133712      7.41673399     -8.31074962
  O     19.89318369      7.28963580    -16.54873234
  H     14.72964011      5.30121748    -16.86988778
  H     13.51795301      9.23609971    -15.79122918
  O     14.84510785      4.54657604    -15.30245136
  H     14.88385505      9.46455382    -12.69240246
  H     12.07855763      9.72251077    -15.50698832
  O     18.77062289      4.72260050    -13.35103079
  H     13.59532805      9.09434707    -13.47565840
  H     21.71068653      6.44460277    -14.13727183
  O     19.17118437      9.97591925    -17.14942737
  H     17.64411467      9.01645031    -14.74601524
  H     20.47941830      6.86825853    -14.97106899
  O     16.73550420      7.59528800    -15.16388774
  H     18.58683612     10.07859263    -15.33795307
  H     17.13216610      6.74195310    -10.69055417
  O     14.54727226     12.00911051    -14.52726861
  H     17.79455350      2.59161353    -15.42312657
  H     18.05816657      7.14121300    -11.86656473
  O     16.41603520      7.65478112     -9.23419707
  H     17.95273061      3.89821345    -14.61022026
  H     17.34744068      9.18269441     -9.99329285
  O     12.95262137      9.66845332    -15.12910421
  H     13.90058114      8.62079185    -10.93745004
  H     18.44333206      9.41686578    -11.04855864
  O     20.77228015      6.60367946    -14.08033985
  H     13.26451779      9.08637513     -9.61962002
  H     16.32265070     11.13675634    -17.61326642
  O     17.46098260      6.44792849    -11.54856883
  H     19.18869840      6.73211480    -16.90253004
  H     15.89371791      9.65479035    -17.70025660
  O     17.75696648      9.86526916    -10.53723969
  H     19.67908579      8.19751466    -16.79800103
  H     16.88555956     10.48296012    -13.40419361
  O     16.60667819     10.26211283    -17.92161230
  H     15.68116427      4.06423186    -15.27374441
  H     16.69044613     10.51123707    -11.87098304
  O     16.22945384     10.64421540    -12.71093262
  H     14.84260434      5.11060637    -14.51700325
  H     15.41813896      8.24287197    -16.19899253
  O     14.69716885      8.40042079    -16.82822649
  H     19.50411430      5.29970497    -13.59828668
  H     14.58200994      7.55836347    -17.28468308
          69
 Energy    -248.24529633215809     
  O     -1.78722707      0.73937019      3.12709852
  H     -1.92100530     -0.00077784      3.71254003
  H     -3.67162092      5.51484858      0.20458474
  O     -3.33047446      1.01509812     -3.43474097
  H     -0.86673400      1.03248595      3.25572999
  H     -2.64766177      4.28992590     -3.42860349
  O     -2.83717563      3.32085841     -4.96365484
  H     -3.92129284      0.26970184     -3.51340676
  H     -2.88721380      3.80682397     -1.98065975
  O     -4.78435255      4.08778251      0.85427485
  H     -3.56715129      1.46877203     -2.60765805
  H      1.51979926      4.63689435      5.06957689
  O      2.18042628      3.63889121     -3.17899411
  H     -2.48756298      3.14064214     -5.83268192
  H      1.74495992      4.69794358      3.53722270
  O     -1.12308383      7.34435232      1.25162484
  H     -2.99970067      2.45673893     -4.55470909
  H     -0.08403780      3.86752093     -0.30773735
  O      0.76545073      1.61139879      3.39258335
  H     -5.66537034      4.24871084      1.18069639
  H     -0.46842588      3.90318138      1.21118662
  O     -0.76106224      0.29657600     -2.16085973
  H     -4.26341921      3.74622806      1.60458713
  H     -4.20189033      2.93329059     -0.46904920
  O      2.11771630      1.82832848      0.91601389
  H      2.08384982      2.77361561     -2.73791295
  H     -3.04324267      1.90421917     -0.54259466
  O      1.80428532      1.32779011     -1.89220220
  H      2.44560883      3.46415533     -4.07702202
  H     -2.82634388      2.34376974      3.00356355
  O      2.60950129      5.31612029      2.21207807
  H     -1.42803857      8.21549397      1.49082140
  H     -2.49286422      3.84298799      2.86538784
  O     -3.05046281      6.12381390     -0.21238890
  H     -1.81722616      6.94953399      0.69202132
  H     -1.15556362      1.88305044      0.37054186
  O     -2.53440348      4.54085301     -2.50206678
  H      1.31514338      1.53971320      2.60080253
  H     -1.81831110      0.80548139      1.25542335
  O      1.17067578      4.33282733      4.23667858
  H      0.92826195      2.49115412      3.75234579
  H     -0.32056497      4.79709047      3.28367450
  O     -0.17080542      3.33336812      0.49164646
  H     -1.07937068      0.42056782     -1.25528979
  H     -1.02328209      5.80578736      2.30539660
  O     -3.69110321      2.38689427     -1.07860824
  H     -1.51329146      0.49585123     -2.72544677
  H      0.58194608      6.98568723      0.44583425
  O     -3.22481668      3.20898397      2.85779902
  H      1.36467000      2.42310242      0.77103664
  H      0.88756889      6.00002645     -0.68245057
  O     -1.72916949      1.10003429      0.34276076
  H      2.91412138      2.37381429      0.90038423
  H      0.72336800      4.43038700     -2.40137273
  O     -1.04523854      4.90629953      2.65390134
  H      1.96325607      1.31987836     -0.94138780
  H     -0.79240824      4.77071356     -2.15522223
  O      1.31286528      6.54162616      0.00050211
  H      0.94270263      0.91105449     -2.03923677
  H      4.14171851      4.15537171      0.00433702
  O      0.10209259      4.86302472     -1.80185179
  H      2.16607584      5.75483861      1.47462508
  H      5.27545314      3.44152150      0.77936330
  O      4.33476264      3.59475275      0.77744408
  H      3.28153833      4.74458789      1.82159390
  H      2.91966022      5.83370941     -0.90121659
  O      3.57365523      5.21633518     -1.25060763
  H     -2.88308274      5.76009666     -1.09082360
  H      3.14453773      4.72971505     -1.96634043
          69
 Energy    -248.24523522498652     
  O     13.52347619      1.40972004     -7.19776625
  H     12.70213800      1.38273805     -7.71700612
  H     10.09731317      7.20278241    -12.97736458
  O     11.30724504      1.50752269     -8.79863279
  H     13.47007896      0.69819101     -6.56455001
  H     10.11397388      3.74185205    -12.01083024
  O      9.54092777      4.64358836    -14.70343187
  H     10.91441998      2.38818639     -8.71597022
  H     11.51465766      4.37125466    -11.76483289
  O     16.21668529      4.29799058     -8.75454890
  H     10.64601482      0.95332251     -9.23640495
  H     13.99293845      3.22053315     -6.84750456
  O     10.19681396      4.01194943     -8.82311656
  H     10.49499984      4.78844190    -14.80148429
  H     13.57428854      4.69551117     -7.08103702
  O      9.43224147      0.28930977    -10.39104075
  H      9.23280433      5.39069894    -14.17822882
  H     11.85659082      0.87946793    -12.23491091
  O     13.00538061      1.57894014    -11.05506993
  H     15.61170953      4.26405762     -7.99051088
  H     11.46593137     -0.10081586    -13.36183283
  O     13.23446171      4.12590930    -12.21055961
  H     17.07345742      4.54716896     -8.41904705
  H     11.53213951      5.03297354     -8.19463334
  O     12.75147408      7.90793513    -11.04125320
  H     10.37723323      4.18754246     -9.76239388
  H     11.86700929      6.53146062     -8.15922440
  O     11.72988642      7.93509262    -13.54165973
  H      9.24957594      4.14558308     -8.71504336
  H     15.68029953      2.53920339     -9.36126321
  O      7.35929512      2.28641647    -11.06066297
  H      8.69418191      0.89280768    -10.53102967
  H     14.78030353      1.50442165     -8.67010248
  O      9.39266565      6.65437908    -12.60832230
  H      9.90165966      0.24022629    -11.23306135
  H      9.84463324      1.87703534    -13.13558882
  O     10.59331923      4.38399758    -11.47221734
  H     12.39078103      1.61124492    -10.30946795
  H      9.26041200      3.20654035    -13.76586665
  O     14.31618158      4.13023276     -6.82738131
  H     13.88841215      1.53968217    -10.65858718
  H     13.49420960      5.61076514     -9.37672505
  O     11.10913970      0.54807598    -12.76022141
  H     13.23835774      3.21706303    -11.88307652
  H     14.96212927      5.27305051     -9.73315102
  O     12.24900154      5.65705993     -8.01227963
  H     13.63911159      4.67466103    -11.52386032
  H      7.38974103      3.69126814     -9.87128153
  O     15.24447066      1.68936851     -9.49666740
  H     13.36701267      7.21338412    -10.77477278
  H      6.65078960      4.37104501     -8.69926846
  O      9.16327750      2.55491882    -13.05234106
  H     12.12432150      8.00411118    -10.31456788
  H     10.68837828      8.80404099     -8.40310621
  O     14.14889165      5.65122731    -10.08857894
  H     11.94983582      8.75806581    -13.96955914
  H     10.07761628      7.63874708     -9.21318476
  O      7.44784838      4.41071211     -9.22308251
  H     12.14227281      7.95848741    -12.65945740
  H     12.14837001      6.21988262    -14.31258939
  O     10.90829459      7.98762519     -8.84448773
  H      6.55876218      1.89516558    -11.40374440
  H     12.70526102      4.85550026    -13.86997551
  O     12.23292839      5.29803452    -14.58691742
  H      7.94752926      2.42024168    -11.82531880
  H      8.16950768      6.19127009     -9.73700028
  O      8.61814564      7.01402576     -9.95525093
  H      9.83930693      5.89539810    -12.20233182
  H      8.75747386      6.99974845    -10.91344410
          69
 Energy    -248.24509548301805     
  O     12.15850892      9.97505758    -15.84081596
  H     12.41476462     10.79286777    -15.39871632
  H     21.12703702      8.96594552    -13.53067525
  O     16.77323861      6.79228647    -13.18256160
  H     11.91745168      9.35104207    -15.14450513
  H     16.25811947     12.04540286    -16.32071815
  O     17.17450728     10.91722935    -11.44723849
  H     16.64757270      6.13222421    -13.87414818
  H     15.16051832     11.03041469    -16.74636717
  O     18.11079580     12.16654210    -15.96639648
  H     16.42909609      7.61883894    -13.56425927
  H     16.81067739      9.33034207    -14.77453203
  O     14.19956668      9.29060438     -9.06744726
  H     16.31166709     11.02677841    -11.87360322
  H     15.63437763      9.84628193    -13.85009204
  O     14.60858290      6.50417693    -11.50490981
  H     17.01919716     10.94663983    -10.49533062
  H     10.72914106      7.64014280    -13.80847187
  O     14.75683567     10.99147509    -12.72889158
  H     18.37839842     12.15887785    -15.02992157
  H     12.22923116      7.32413480    -14.00409419
  O     16.72364500      7.40199087    -17.12385482
  H     18.62585789     12.84554137    -16.39466943
  H     18.09442061      8.08828274     -9.91483120
  O     15.35882143      6.67034126     -8.81078540
  H     14.45354184      8.37580319     -8.89140479
  H     17.42428370      8.95956256     -8.83439476
  O     18.35928194      9.37201026    -15.79053005
  H     13.72434000      9.27774690     -9.90764889
  H     14.19295158      5.85400061    -14.60730135
  O     15.91193008      5.40312250    -15.45480064
  H     14.83919476      6.42862380    -10.57140871
  H     13.76517043      6.04197011    -13.13793776
  O     20.23843873      9.28749770    -13.65818234
  H     15.43814918      6.56201879    -12.00143639
  H     19.53915395     11.08547895    -13.46281998
  O     15.31074821     11.94304423    -16.46449236
  H     14.17635505     10.31432668    -12.35102079
  H     18.35124668     11.66572387    -12.67610619
  O     15.98242907      9.08963994    -14.33662414
  H     14.23041386     11.53904650    -13.32467331
  H     17.92129264      7.78926760    -12.21489331
  O     11.59392097      8.04238976    -13.83170848
  H     17.41028092      7.98578240    -16.77861564
  H     17.95762436      9.26830140    -11.69015869
  O     17.68449917      8.05287306     -9.04150017
  H     15.95013778      7.96921590    -17.25620910
  H     15.64615679     10.24083295     -8.83749894
  O     13.43601985      6.05678004    -14.04692212
  H     15.39092860      6.06428771     -8.07570939
  H     16.46266141     11.25419369     -7.99853091
  O     18.95397559     11.85072223    -13.40879198
  H     16.23527009      7.09142471     -8.86870249
  H     13.69698287      9.39508425    -16.62561588
  O     18.46395149      8.44358285    -11.75088676
  H     18.33711190     10.30994897    -16.02240526
  H     15.02175697      9.06566001    -15.91012083
  O     16.52299998     10.65391964     -8.73650713
  H     19.06953737      9.26205191    -15.14574260
  H     12.54510469      8.74007098    -12.36643815
  O     14.63270862      9.20815065    -16.78613988
  H     16.00642661      4.56603364    -15.90134918
  H     13.74116228      8.10073772    -11.63752611
  O     13.23045821      8.92078995    -11.71166281
  H     16.20319260      6.08635781    -16.08421822
  H     14.04344370     12.29902574    -15.35211630
  O     13.33503482     12.36881739    -14.68494032
  H     19.70072337      8.92108852    -12.93560712
  H     12.93823407     13.22875905    -14.79286872
          69
 Ord_Energy   -248.245056    
 O   -3.91772485       4.20231247     -0.555196822    
 H   -3.54125953       4.17268801      -1.44335103    
 H   -3.21391344       4.47300529       4.92758602E-02
 O  -0.236862436      -2.95500898       2.43974447    
 H   -1.11174917      -2.77788448       2.05266356    
 H  -0.238477513      -3.87253428       2.70368433    
 O   -1.53967571      -1.40183222      -1.32503545    
 H   -1.38980675      -1.19693112      -2.25701976    
 H  -0.704669178      -1.76121235     -0.978861868    
 O   -5.25088406      -1.92020655      0.749550700    
 H   -5.14517307      -1.53993356     -0.132241607    
 H   -5.52741480      -1.18928087       1.31643856    
 O   -2.56411719      -2.17754889       1.19960272    
 H   -3.52740216      -2.24756575       1.12112403    
 H   -2.23386860      -1.97300506      0.316440433    
 O   0.740358949      -2.18943858     -0.152764723    
 H   0.620573699      -2.42961121      0.773258626    
 H    1.40670562      -1.49139869     -0.192397013    
 O   -5.54263163      0.506992459       2.26090050    
 H   -6.26468849       1.06940877       2.52734756    
 H   -5.06398821      0.977053106       1.55393803    
 O   -3.26585793       1.14116144      -3.66752505    
 H   -2.48735213      0.607858479      -3.86886144    
 H   -3.79616308      0.610719025      -3.06069613    
 O   -4.30023050     -0.469909787      -1.55088472    
 H   -4.28964710      0.292699009     -0.951052785    
 H   -3.42278099     -0.867798805      -1.49658501    
 O   -1.99297309       4.75089884       1.49046409    
 H   -1.97402191       3.95936084       2.05767417    
 H   -2.18400693       5.48915195       2.06433296    
 O   -4.05758095       1.62548792      0.271168500    
 H   -3.10494041       1.45815659      0.308625400    
 H   -4.16168404       2.54032660      -2.72714291E-02
 O    2.42152977       5.90604991E-02 -0.430253386    
 H    3.36341405      0.185691133     -0.348023444    
 H    2.00036931      0.657378376      0.211524010    
 O   -1.35427701       1.11264169      -1.22688701E-02
 H   -1.28984249      0.258529484     -0.456005752    
 H  -0.580948055       1.22300386      0.555315495    
 O   -2.91599441      -6.05321415E-02   3.06119442    
 H   -3.86464190      0.108428366       3.01094842    
 H   -2.73090363     -0.713166118       2.37261820    
 O   0.556422234       4.18542099      0.362464458    
 H  -0.267042339       4.48994827      0.764946938    
 H   0.317192018       3.93233514     -0.540101945    
 O    1.09750903       1.68120897       1.28864396    
 H    1.00054634       2.60749722       1.01501203    
 H    1.06145895       1.65088952       2.25172591    
 O   -1.79519594       2.56148744       3.08962941    
 H  -0.936927855       2.38191533       3.49051166    
 H   -2.23496103       1.70469534       3.02691483    
 O  -0.483727962     -0.766748488       4.26008844    
 H  -0.266447902      -1.53682911       3.72195411    
 H   -1.39367867     -0.533863246       4.02719212    
 O   0.741605580       1.61980295       4.05261087    
 H   0.366742313      0.730979562       4.19220543    
 H    1.22955143       1.84304881       4.83998489    
 O  -0.978898525     -0.559977710      -3.91613388    
 H  -0.202183932      -6.32730573E-02  -3.59862494    
 H  -0.705002129      -1.04114962      -4.69215727    
 O    1.04455376      0.843922377      -2.84313655    
 H    1.56701267      0.563312054      -2.08394575    
 H   0.622835636       1.67950213      -2.59504128    
 O  -0.486876816       2.97871757      -1.92982674    
 H  -0.876157641       2.37119961      -1.28294277    
 H   -1.22231042       3.35447192      -2.42805862    
 O   -2.85344815       3.77739167      -3.18552756    
 H   -3.08218193       4.28315163      -3.96067286    
 H   -3.05741596       2.84629059      -3.38799024    
          69
 Energy    -248.24478293255851     
  O     17.28474334      9.37181219    -14.32581011
  H     16.75427514      9.23697734    -13.52366325
  H     19.98056809      3.76586543    -11.87359670
  O     14.12072701      7.10366438     -9.12140420
  H     17.44204423     10.31940839    -14.40045035
  H     15.84205454      6.05363816    -11.69518907
  O     12.14730772      7.37082434    -11.17572459
  H     14.87721872      6.85010492     -9.67608658
  H     17.07445584      6.67707358    -10.95497505
  O     16.04651135      7.19686273    -15.46878303
  H     14.14866040      6.54459231     -8.34889499
  H     20.12440388      5.46669292    -13.83816598
  O     19.76014282      8.49874011    -13.55234821
  H     12.75025722      7.23367978    -10.43545082
  H     19.50589926      5.78848270    -15.21469737
  O     20.16071670     10.97257070    -12.54412204
  H     11.96206882      8.31767964    -11.20169021
  H     16.35953083     12.29747974    -13.04996720
  O     18.82273511      7.09433172    -11.28120644
  H     16.54697771      7.97210125    -15.17933566
  H     14.90518588     11.78148544    -12.90484829
  O     12.50315345      6.00593779    -13.45936714
  H     15.12252731      7.48522855    -15.52641514
  H     17.86113560      5.09569813    -17.10373760
  O     13.48490896      8.09329555    -15.18352044
  H     20.03931242      7.68364563    -13.99300491
  H     17.23277333      5.98588645    -16.00942954
  O     13.65989541     10.28835564    -13.34945315
  H     18.89422511      8.74463651    -13.91108283
  H     15.87282154      9.62134471    -11.41136687
  O     11.88726872     10.20363146    -11.14301598
  H     20.15373658     10.07475516    -12.92289039
  H     15.78764621      8.09940468    -11.70400106
  O     19.55336046      4.54127019    -12.22755070
  H     21.07239646     11.19448396    -12.37181596
  H     18.78354442     11.79346646    -13.46266794
  O     16.12710352      6.49643172    -10.88207686
  H     19.13354561      6.19470345    -11.44995273
  H     18.35045814     12.74740989    -14.59803782
  O     20.21846305      6.03587712    -14.61199307
  H     19.11900968      7.60821036    -12.04466889
  H     17.05115171     10.65264065    -10.10143828
  O     15.58914104     12.30684957    -12.47085324
  H     11.73540345      5.46447397    -13.62041053
  H     16.00036545     11.55152814    -10.86769578
  O     17.92012121      5.31930299    -16.17827885
  H     12.33819446      6.48956600    -12.62954698
  H     15.56924630      6.12897073    -14.01149813
  O     15.74179962      8.96907563    -12.11330881
  H     13.45263311      8.91484405    -14.67637112
  H     14.28847790      5.57799808    -13.34290662
  O     18.03029727     12.06756927    -14.00930707
  H     13.03786591      7.42786361    -14.64653085
  H     18.74690494      8.91230922    -10.43942507
  O     16.12041828     10.91438598    -10.14695015
  H     12.95772708     10.34838836    -12.68895949
  H     19.20936704     10.28161789    -10.97724347
  O     15.25297177      5.54030002    -13.31232078
  H     14.34596554      9.73646792    -12.94258443
  H     13.89693456      9.01155031     -9.03881550
  O     18.67001065      9.86267223    -10.29735636
  H     12.52903714     10.19294701    -10.40885889
  H     14.57412521     10.35603915     -9.39285918
  O     13.72184170      9.94943680     -9.17820342
  H     11.16206508     10.75608582    -10.86485809
  H     17.63047065      4.18114744    -14.66253496
  O     17.43526446      3.85323648    -13.77560341
  H     18.77282290      4.23093431    -12.72096123
  H     16.59588673      4.26832833    -13.53638333
          69
 Energy    -248.24477165461599     
  O    -12.39683155     -0.28559698      1.29482951
  H    -13.16164080     -0.70222121      0.90656540
  H     -9.58120918     -0.96634158      0.10225080
  O     -9.67502544      6.52083388      0.75033576
  H    -11.67698013     -0.35188859      0.64085133
  H    -11.24037483      2.64591721      3.41915028
  O     -9.39448371      0.48238667      4.81658991
  H     -9.88868562      7.23335155      0.15401704
  H     -9.94519697      3.17008115      4.11638860
  O     -6.10052183      6.50913705      3.95518560
  H    -10.50999623      6.05824375      0.94517652
  H     -6.96753510      1.18693867      2.68143023
  O     -5.84641720      5.27723257      6.54888443
  H     -9.97760248      1.24351705      4.70127917
  H     -8.22064182      0.54949923      3.35845007
  O     -7.58855613      1.21209517      6.76527564
  H     -9.83435588     -0.26664276      4.38513868
  H    -11.97875483      4.27686187      1.51068099
  O     -8.41610467     -1.81577363      1.37249102
  H     -5.97984275      6.14406174      4.83956117
  H    -12.00582755      5.49732501      2.46103317
  O    -10.57210644     -1.40024071      3.23420038
  H     -7.04443244      6.69327727      3.85781457
  H     -8.04572398      2.99723821      7.00230133
  O     -5.37862555      5.02305358      1.80407357
  H     -6.71782361      4.91147297      6.77811566
  H     -9.14696280      4.11030944      6.98323920
  O    -11.68884640      2.41534810      1.71388629
  H     -5.53539253      5.74846935      7.31839233
  H     -8.40586492      5.17499581      0.44533322
  O     -8.88163617      6.45187196      3.45571359
  H     -8.20805026      0.88759034      6.09063859
  H     -6.98858765      4.66682769      0.80603588
  O    -10.20682236     -0.35813182     -0.31095817
  H     -7.54306007      0.53614122      7.43763409
  H    -11.34413284      4.75235617      4.30970647
  O    -10.84168709      2.83209863      4.28105271
  H     -7.69984519     -2.43526606      1.26092679
  H    -10.63002414      6.10832509      4.12943255
  O     -7.67632444      0.53892724      2.56039181
  H     -8.03190799     -1.00947658      1.75847445
  H     -5.64202794      3.36654902      2.58156269
  O    -11.93098910      5.24122303      1.53334392
  H     -9.89708530     -1.72014218      2.62284432
  H     -5.56962263      2.58149439      3.94180946
  O     -8.19735076      3.94532558      6.89282281
  H    -11.28169917     -1.05376437      2.67936559
  H     -5.31018476      3.48587011      6.03008249
  O     -7.81848606      4.41083610      0.38922657
  H     -4.60342652      5.39060408      1.38805119
  H     -5.94144712      2.07307745      6.10512808
  O    -11.48716450      5.70755785      4.33330447
  H     -5.59155125      5.59726915      2.56099412
  H     -8.64071040      1.54914329      1.32847934
  O     -5.97702038      2.60010008      3.06215487
  H    -10.80359365      2.35110364      1.32067198
  H     -8.67401902      2.87203459      0.51000495
  O     -5.24092593      2.58687237      5.68552285
  H    -12.10388945      1.55388597      1.59059456
  H     -7.53348948      3.39982917      3.68398307
  O     -9.16198269      2.05597756      0.69357106
  H     -8.66129533      5.51371683      3.56603486
  H     -8.17135372      3.87918060      5.02807279
  O     -8.31630036      3.80449634      4.07526115
  H     -9.09244990      6.57901249      2.52120398
  H    -11.22209701      5.02717525      6.30011076
  O    -10.92278790      4.23479009      6.76048429
  H     -9.83070188      0.52438478     -0.18472134
  H    -11.05695675      3.52696318      6.11618263
          69
 Energy    -248.24446830210007     
  O     12.99800733     11.66409241    -15.63167524
  H     13.92883044     11.88205468    -15.74712049
  H     18.42934621      6.37648232    -13.44005002
  O     14.46698778      6.95293831    -12.67592693
  H     12.87356150     10.79460067    -16.04012272
  H     16.25117426     10.64634606    -17.03770657
  O     17.94999291      9.56589087    -12.13065210
  H     15.28084755      6.97350605    -12.15835517
  H     16.82090685      9.21334195    -17.17964588
  O     17.25204655      7.80241934    -16.02152388
  H     14.59262733      7.55694483    -13.42464801
  H     14.23089440      8.81401995    -15.38907486
  O     11.41468857      7.03434934    -15.28155473
  H     17.21133567     10.03827979    -12.53982878
  H     15.72606069      8.37900042    -15.23658884
  O     15.55610999     10.65450431     -9.28444605
  H     18.18558056     10.05428170    -11.32822499
  H     12.15938839     11.62888894    -14.12783382
  O     12.93073630      8.26083804    -10.85025247
  H     17.98090780      7.91257233    -15.39734794
  H     10.97866364     12.17106668    -13.28872050
  O     15.73751380     10.77578412    -13.26204633
  H     16.97996336      6.87501505    -15.98311934
  H     11.63765668      8.49407251    -12.25520116
  O     15.08476452      7.83855529     -9.00883172
  H     10.54456211      6.67591562    -15.43721827
  H     11.33369329      9.64920626    -13.22340499
  O     16.32864318      5.19461463    -15.55600142
  H     11.34342054      7.59618981    -14.48869940
  H     18.82345982      8.62564696    -13.33264219
  O     13.71967306      5.35274724    -14.78968211
  H     14.89651039     10.91189883     -9.94062466
  H     20.14031155      8.23901300    -14.04617068
  O     17.84663694      5.67846429    -13.11452146
  H     15.37837042      9.72844859     -9.07858922
  H     17.18122126      6.53245429    -11.67075770
  O     16.40837932      9.93642339    -17.67101405
  H     13.38663929      7.75247512    -11.54132435
  H     17.16967447      8.05242454    -11.37586977
  O     14.94128666      8.66582754    -14.75180909
  H     13.44593759      8.10216640    -10.05174919
  H     17.27810637     10.91146561     -9.57015942
  O     11.68877426     11.53489709    -13.28010476
  H     15.07602522     10.92336477    -12.57418951
  H     18.62839068     11.54036023     -9.18084297
  O     11.25673728      8.69314422    -13.11884495
  H     15.41917606     10.02394967    -13.78835539
  H     15.04033291      9.22038813    -18.54347788
  O     19.20735265      8.04429785    -14.01179186
  H     15.71546074      7.55295516     -9.69123333
  H     14.26003825      8.93149242    -19.83825115
  O     16.77815881      7.21015428    -11.10728797
  H     15.23723889      7.28246653     -8.24877842
  H     12.98263121     11.26435209    -11.97105600
  O     18.22048603     10.95245889     -9.80978187
  H     15.37897741      5.23375722    -15.34713209
  H     13.41068417     10.00103425    -11.19743349
  O     14.24168817      8.79045837    -18.89588708
  H     16.46201659      4.39199086    -16.05400852
  H     15.89601092     11.68432480    -14.80798189
  O     13.67607277     10.90983647    -11.40029517
  H     13.92483162      5.73437069    -13.92302844
  H     16.32459117     12.86073791    -15.71129398
  O     15.86427625     12.02463453    -15.71726473
  H     12.93352850      5.82522739    -15.08417607
  H     12.31135227      8.32174144    -16.28945415
  O     12.87288672      9.05932686    -16.55478928
  H     17.30513346      5.41953699    -13.86920163
  H     13.24754101      8.88333999    -17.43085352
          69
 Energy    -248.24446511606175     
  O     12.25316850     10.87260329    -15.26316761
  H     12.93820269     11.54876293    -15.22870455
  H     15.90759491     11.57820461    -15.62185813
  O     15.54598531      6.51186274    -13.11849806
  H     12.56984212     10.19747768    -15.87977015
  H     15.21163182      8.05894246    -14.05610924
  O     17.33170185     10.50094614    -11.83510086
  H     16.37931429      6.83832380    -12.75208664
  H     14.39078286      8.80942852    -15.15089960
  O     12.59472884      6.22893399    -16.05465398
  H     14.86640928      6.63215362    -12.44256847
  H     11.47572123     10.18239627    -13.85748316
  O     14.70522237      9.50493994     -8.75669240
  H     18.03125420     10.68678353    -12.47899004
  H     10.14440472      9.99783858    -13.09571535
  O     13.58438400      7.06557141    -11.24188405
  H     17.64259192     10.56980219    -10.92547923
  H     16.79924806      7.11374768     -9.24583207
  O     14.85335743     11.02685106    -12.72238032
  H     12.34061974      6.47584749    -15.14683222
  H     17.80284610      7.41929693    -10.38599667
  O     17.39138735      7.24354156    -16.51240012
  H     11.94387071      5.60257730    -16.35981043
  H     11.55959780      7.93508428    -13.43999515
  O     14.94293551      6.80011616     -8.78651121
  H     15.55959173      9.91748006     -8.92562159
  H     12.42854146      6.86997529    -12.75404181
  O     19.24500160      7.85768653    -14.64688635
  H     14.10701612      9.75819943     -9.47178422
  H     18.14301694     10.84885636    -14.75736313
  O     15.37585541      5.54263804    -15.70253402
  H     13.42110413      8.01735312    -11.17922268
  H     19.10954614      9.74092625    -14.32525441
  O     16.49726757     10.83357390    -15.79265411
  H     13.98665815      6.80746865    -10.40359728
  H     18.39520789      7.70357318    -13.01109577
  O     15.01857678      8.92711768    -14.42801515
  H     14.77323616     10.25883629    -13.31232101
  H     17.57971287      8.67285520    -12.11814110
  O     11.06321919      9.74155187    -13.09358029
  H     15.73865837     10.95882418    -12.33445854
  H     17.65880003      9.23427525     -9.12693291
  O     17.65912209      7.50854723     -9.43376821
  H     16.95549469      7.86311543    -17.10461861
  H     18.05812296     10.48363200     -8.30753566
  O     11.92173901      7.04820990    -13.55549444
  H     16.72188893      6.58133659    -16.28241061
  H     16.21719236      9.61298886    -18.83636926
  O     18.83892533     10.64505316    -14.11977302
  H     14.68472070      6.40083295     -7.95982480
  H     16.20065212      9.91542661    -17.31996724
  O     17.83482169      7.74583659    -12.22562063
  H     14.82909451      7.76301239     -8.68269327
  H     12.24754950      9.82616916    -11.60550928
  O     17.55704719     10.20184066     -9.06802837
  H     18.58410946      7.63546033    -15.32762251
  H     13.69288750     10.33838454    -11.57537169
  O     15.93298071      9.26764125    -17.99361619
  H     20.04889868      7.40764632    -14.89263430
  H     14.47210738     13.59171661    -14.68128629
  O     13.04568601      9.83054261    -11.06311921
  H     15.45481444      5.71576537    -14.75255899
  H     14.61336887     12.20159110    -14.01600286
  O     14.50630421     12.65746201    -14.87018733
  H     14.44363660      5.67236877    -15.90627131
  H     13.12552814      7.88096649    -16.66698202
  O     13.41662288      8.80059113    -16.73510672
  H     16.13928542     10.09426446    -15.27462306
  H     14.19564685      8.84036466    -17.30335225
          69
 Energy    -248.24436356122823     
  O     18.31793967     12.26539066    -17.38637134
  H     18.63975565     11.59060438    -16.77758113
  H     17.11582630     13.49690088    -18.01052223
  O     18.26818486     17.87712026    -13.88487087
  H     19.08153387     12.64074550    -17.85641672
  H     19.82362138     14.60714460    -18.65346123
  O     21.37047315     12.25055787    -14.34633616
  H     17.89056814     18.26565202    -13.08618465
  H     20.89402761     13.94684823    -17.77586065
  O     15.43069816     14.69103384    -12.66517909
  H     17.61805269     17.24064734    -14.21852373
  H     20.24136783     15.58986556    -12.76369358
  O     14.63393008     14.70339893    -16.48178733
  H     20.71047013     11.63370569    -14.68607468
  H     19.70936659     16.99736862    -13.17431634
  O     17.13535512     11.54198216    -13.63302472
  H     20.92071682     12.73626704    -13.64157671
  H     16.71659319     13.75291772    -11.77284825
  O     14.62573110     12.71425140    -14.52454616
  H     15.91070061     15.18139114    -13.34919170
  H     17.60958028     13.71883680    -10.51809886
  O     21.51739328     14.36954898    -16.10319905
  H     14.97052800     13.98608647    -13.13449329
  H     20.63417001     17.37115048    -15.96818151
  O     22.18198303     16.83048989    -14.90243252
  H     13.91556293     15.15243738    -16.91839704
  H     19.22294764     17.81010570    -15.54668903
  O     15.78362456     16.50779749    -10.55211047
  H     15.32081812     14.54168820    -17.15652048
  H     18.69248625     17.73635558    -10.55675999
  O     19.65009957     13.91583388    -12.86647762
  H     17.26767843     11.95763286    -12.77241271
  H     19.89218777     16.90050405    -11.02625010
  O     16.63312439     14.31832036    -18.17982453
  H     16.31406809     11.90400966    -13.98434146
  H     16.62991392     17.93510926    -11.10389116
  O     20.30234758     13.77953220    -18.52411493
  H     13.89253294     12.12122647    -14.67288495
  H     16.82494429     19.46908915    -11.05723357
  O     20.46893693     16.53185939    -12.79375208
  H     14.61517976     13.35604214    -15.25232232
  H     18.46322829     15.73210277     -9.54934907
  O     17.42308020     13.25027599    -11.34148285
  H     21.62561630     13.61748568    -15.50087872
  H     18.05893848     14.94423518     -8.28204290
  O     19.74888938     17.54072751    -16.30983477
  H     21.90494372     15.15153343    -15.69558027
  H     19.17526684      9.67378497    -15.16154311
  O     19.33388687     17.07954731    -10.25905819
  H     22.97827146     17.30963569    -14.68944595
  H     18.43472686     10.92605885    -14.64039436
  O     17.21188883     18.66277239    -11.38785210
  H     21.67247333     16.75010290    -14.07786286
  H     19.68286186     14.49171320    -15.73103269
  O     17.86936277     15.03788479     -9.21178906
  H     15.49500083     15.90403102    -11.24924419
  H     18.48918222     13.58111952    -16.06863422
  O     19.14298389     10.62433744    -15.23671197
  H     16.37238499     15.99350471     -9.98603916
  H     18.78471839     16.85012453    -19.20869701
  O     18.77440325     14.28495491    -15.47334615
  H     19.26719233     13.94840308    -13.75656259
  H     19.07455307     16.67250510    -17.70650660
  O     18.73347310     16.21808023    -18.49538384
  H     18.93939817     13.65538448    -12.26869252
  H     15.93633322     15.65068491    -15.45161068
  O     16.65227601     15.87526455    -14.84784574
  H     17.30174405     15.00470130    -18.29965605
  H     17.41775838     15.33623183    -15.10616938
          69
 Energy    -248.24432244376825     
  O     20.52211100      9.24018037    -13.37242995
  H     19.90848721      9.74526997    -12.82683147
  H     19.96669981      4.34694331    -12.73858585
  O     15.38864409      8.81785914    -10.20660667
  H     20.91500243      8.56993676    -12.79968791
  H     13.56936886      8.35475351    -14.24519278
  O     11.94305590      8.67860712    -13.33475616
  H     15.31783154      7.85175718    -10.25523419
  H     15.04513639      8.72407620    -13.97882811
  O     16.47534058      7.39051971    -16.47098065
  H     16.22445908      9.03117986     -9.77846678
  H     18.17729034      7.31253472    -13.80226109
  O     11.75381271      5.91869044    -12.51823823
  H     11.26058482      9.30481790    -13.56203953
  H     17.02401151      7.85138081    -12.93295096
  O     18.99078430      7.20237254    -10.63820053
  H     12.17442162      8.84276194    -12.40335563
  H     15.18292539      5.08603204    -13.44299750
  O     14.95759178      6.09086086    -10.49704531
  H     15.75612202      7.67702660    -15.89659924
  H     14.49890496      6.46029718    -13.71593895
  O     21.52173710      7.07455900    -11.75263013
  H     17.29007902      7.76045569    -16.10716949
  H     18.38763250      9.47778510     -8.50719935
  O     17.49397226      4.90237911     -9.99594830
  H     11.63265545      6.79892028    -12.89398960
  H     18.42627719      8.58335376     -9.77355196
  O     18.64234443      3.27973208    -11.84806677
  H     12.63038354      5.63799961    -12.82033188
  H     19.18617475      5.07732195    -16.11718105
  O     19.05169343      7.88086660    -15.25765405
  H     19.92820997      7.15045253    -10.86260780
  H     20.64748927      5.05734666    -16.62552491
  O     20.60305187      4.96063731    -13.12318913
  H     18.50868698      7.13504423    -11.47806811
  H     12.37445736      8.06827883    -10.29112095
  O     14.47613343      8.13389166    -14.49350258
  H     14.83786943      5.93842731    -11.44621240
  H     13.52971823      9.06452365    -10.45689679
  O     17.63525312      7.11103014    -13.02547325
  H     14.07521656      6.03378338    -10.10906875
  H     18.41489411     10.38233259    -10.94480332
  O     14.43374924      5.64516346    -13.19917902
  H     21.23780331      6.29765622    -12.27093587
  H     18.69131443     11.68400959    -11.72964057
  O     18.06625879      9.40981175     -9.40246159
  H     22.43687795      6.93460839    -11.52702457
  H     17.14618816      5.40920856    -13.42835618
  O     20.10246568      5.32168998    -15.88958269
  H     16.59014089      5.22682937    -10.10067012
  H     17.41396233      3.92518223    -13.09300968
  O     12.60467770      8.91687500    -10.69044895
  H     18.06321967      5.68060880    -10.05605243
  H     17.20501392      4.54580729    -15.47970211
  O     18.55346267     10.74440345    -11.83317911
  H     18.74960017      2.39188509    -11.51776768
  H     17.06515591      5.65589805    -16.53844179
  O     16.87709443      4.50266871    -13.64663425
  H     18.22928634      3.79809009    -11.13416524
  H     11.96019972      6.02354762    -10.78742692
  O     17.50490531      4.81117495    -16.35907317
  H     19.64996324      8.42417779    -14.72354246
  H     11.56667109      5.74088504     -9.31707494
  O     12.20413947      6.19662817     -9.85935288
  H     19.53592892      7.09498413    -15.54082298
  H     15.79066223      9.32517967    -11.88678243
  O     16.16506251      9.48395861    -12.76604414
  H     20.42746273      5.00667685    -14.07158225
  H     16.95571613     10.01907628    -12.63534590
          69
 Energy    -248.24418216068329     
  O     15.41796562      9.51905370    -15.40515646
  H     16.30684690      9.45705396    -15.80431515
  H     18.62878874      9.23406339    -15.75127084
  O     19.91578239     14.49322764    -16.77758945
  H     14.86335000      8.89637525    -15.86576572
  H     17.05636140     11.75647841     -8.32797418
  O     19.85800689      8.79560551    -14.46184443
  H     19.80430676     14.95706397    -15.92971062
  H     17.94740643     11.20728514     -9.46703559
  O     19.02149625     13.88500986    -10.30379386
  H     19.90460056     15.16351047    -17.45619223
  H     22.42512332     16.02974084    -12.64662678
  O     15.03478967     13.82953917    -13.12483523
  H     20.47027820      9.49411668    -14.19629437
  H     21.41090535     16.30865755    -11.52252428
  O     19.14598896     10.07227935     -9.97048772
  H     19.50089599      8.44843021    -13.63619831
  H     20.33647520     12.58579745    -10.72943140
  O     15.40630039     11.62162181    -11.31978030
  H     18.43145786     13.29187522     -9.82134555
  H     21.86904548     12.42435091    -10.65062507
  O     21.75639320     13.53871613    -14.72849254
  H     18.56728113     14.11214107    -11.12787673
  H     16.10249829      9.62068718    -13.70675641
  O     21.06950969     15.64085399     -9.78902318
  H     15.13772788     13.31894416    -13.94901968
  H     16.09098204     10.35067849    -12.31490539
  O     21.15483334     11.08796089    -13.46275126
  H     14.23811089     14.34415467    -13.21960116
  H     23.15052613     14.20125790    -13.73550240
  O     15.42624753     12.38141512    -15.38077374
  H     19.03137352      9.36793753    -10.61906547
  H     24.58612698     14.72937484    -13.52872425
  O     17.93025794      9.53746385    -16.34965583
  H     19.93655229     10.56524901    -10.22712071
  H     19.01856081     15.11550009    -13.67373060
  O     17.34337077     11.93229012     -9.22032534
  H     16.01444334     11.84075138    -10.60334608
  H     20.34945512     15.93867950    -13.58859752
  O     21.60148782     16.49239547    -12.45119289
  H     15.25005940     12.42762742    -11.82622858
  H     23.42335008     14.01381352    -11.32626662
  O     21.05065787     11.94597523    -10.84523656
  H     21.09023772     14.11643554    -14.32403353
  H     22.53625835     14.42875468    -10.13750166
  O     16.59623700      9.75435641    -12.88854959
  H     21.53295878     13.56417066    -15.66304335
  H     18.23478252      7.25673006    -11.77194579
  O     23.73130560     14.66177781    -13.10975297
  H     20.30843840     15.04712228     -9.90363788
  H     17.79883615      8.65065795    -12.28471866
  O     19.78171238     15.42287865    -14.18042256
  H     20.91867342     16.12887504     -8.98345870
  H     19.36067808     11.44159626    -13.50994633
  O     23.10931405     13.72217200    -10.46165495
  H     21.46967765     11.85842612    -13.95068852
  H     17.85400766     11.04977667    -13.35746795
  O     18.56073702      8.13119423    -11.97055006
  H     21.20898047     11.31264910    -12.52210557
  H     18.70710906     13.07079380    -16.53082331
  O     18.45649389     11.77519603    -13.56318498
  H     15.26383855     11.43082154    -15.40118854
  H     18.27467608     12.18831870    -15.32451063
  O     18.10349666     12.37021818    -16.26138788
  H     16.28191405     12.50208185    -15.81380022
  H     16.80096761     14.28951909    -12.82101510
  O     17.75846987     14.24719876    -12.71674352
  H     18.09045761     10.47517407    -16.51405617
  H     18.01771664     13.35172037    -12.99256161
          69
 Energy    -248.24380838932331     
  O     -8.05310539      1.12618124      6.25877888
  H     -7.96904315      1.89634362      6.83410722
  H     -9.85543685      0.86676139      6.07915497
  O     -5.11398662      1.60902314      4.21782210
  H     -7.97166186      1.47598963      5.35636485
  H    -10.61423174      5.49013207      6.55470234
  O     -5.44214314      3.88282378      5.95403563
  H     -6.03458447      1.82582820      3.99673431
  H    -10.90195884      5.15176661      8.02391129
  O    -11.95463854      2.16886041      7.85006028
  H     -5.02531060      0.67303350      4.01005355
  H    -12.58941704      4.73013379      6.52671439
  O     -7.76891762      2.13589145      3.75288145
  H     -6.21474194      3.79201973      6.52413286
  H    -14.06999704      4.50512186      6.13671717
  O     -7.96806053      3.64843926      7.35252788
  H     -5.25752889      3.01499598      5.57283006
  H     -9.90515733      1.07756414      1.78608685
  O    -10.14552376      3.73714046      9.15830891
  H    -11.61457108      1.51780063      7.22120321
  H     -8.59814229      0.19363904      1.66254501
  O     -7.85474720      4.91035964      3.19827850
  H    -12.52355378      2.75114185      7.33306671
  H     -9.11108599     -1.59863659      4.59501462
  O     -6.15163635      2.48026457      0.18196845
  H     -7.85329961      3.06689365      3.51461350
  H     -9.81293329     -0.85097197      3.45013279
  O    -11.46719335      2.87092267      4.25600544
  H     -8.32473337      1.59823430      3.17532920
  H     -8.95847482      4.93143648      4.56234965
  O     -6.96707441     -0.08517077      1.05830509
  H     -8.56912818      3.70095570      8.10557315
  H    -10.16496520      4.03748239      4.93246535
  O    -10.76389587      0.67176327      5.81129393
  H     -8.46056082      4.02351767      6.60606511
  H     -7.77553065      3.45132300      0.45991926
  O    -11.26457012      5.61803264      7.26146056
  H    -10.28131405      3.67331096     10.09991237
  H     -9.27381782      3.55988037      0.87967931
  O    -13.20586092      4.10404165      6.10564096
  H    -10.77793395      3.12326639      8.74335697
  H     -7.28628557     -1.99942432      6.29264720
  O     -9.35940714      0.41446845      2.22265334
  H     -8.03283377      4.78088756      2.25517552
  H     -7.54457743     -0.53652380      5.87512369
  O     -9.97852634     -1.41900831      4.21829275
  H     -6.95459107      5.23628582      3.31299104
  H     -6.17623299     -1.25942365      4.12752545
  O     -9.54212354      4.68132817      5.29252648
  H     -5.70937322      2.60234203     -0.65479290
  H     -5.02097226     -1.87307036      3.30900654
  O     -8.47671130      4.07166558      0.69723906
  H     -5.56057009      2.84633269      0.86349984
  H     -4.67213945      4.25478164      2.61439677
  O     -7.33228913     -1.42203638      5.53384286
  H    -11.23608284      2.05702979      4.72769086
  H     -4.56198823      2.74374360      2.85165716
  O     -5.54262458     -1.08050404      3.41460384
  H    -12.16924903      3.29579946      4.76610256
  H    -11.10298091      2.79551690      2.48348487
  O     -4.54732126      3.41563154      2.15622927
  H     -6.60863569      0.75977884      0.75565081
  H    -11.68258965      2.78064795      1.05335907
  O    -10.87149698      2.68064849      1.54656755
  H     -6.41461278     -0.38621545      1.78863926
  H     -5.26466256      5.04377349      4.66227207
  O     -5.22100452      5.59652926      3.86043507
  H    -10.70161443     -0.13673915      5.28424830
  H     -4.78706443      6.40825136      4.10747930
          69
 Energy    -248.24355642257149     
  O     12.76976211      8.19322249    -16.49289692
  H     12.63820925      8.12508605    -15.52956546
  H     18.07685377      4.64539057    -15.15147838
  O     17.43479892      6.29101990    -12.74591388
  H     11.90300713      8.19386794    -16.88970913
  H     16.13254794      9.61158249    -17.77358449
  O     19.19458585      9.74267719    -12.94320272
  H     17.58074777      5.45686484    -13.20748663
  H     17.66768237      9.69427910    -18.00327524
  O     19.20628672     10.48536327    -17.26696980
  H     17.13732099      6.92804968    -13.41408017
  H     17.47168712      8.11308655    -15.13993215
  O     14.89695758      4.45591174    -14.56355334
  H     18.54939142     10.30717732    -12.48644805
  H     16.04898712      7.48402328    -15.34632284
  O     15.38199217     10.59003049     -9.73313629
  H     19.36050891      9.03123903    -12.31380896
  H     12.64868068      7.02957597    -13.45906097
  O     15.09798633      6.81612732    -11.33762957
  H     19.82840031     11.08360982    -17.67119360
  H     12.89532189      8.52485094    -13.17231019
  O     15.57474717     10.42680418    -14.05806559
  H     18.80630230     10.95906047    -16.51452963
  H     13.76634597      4.97408909    -13.37354915
  O     18.64590681      5.74951750    -16.35846713
  H     15.82197709      4.19895233    -14.48798049
  H     12.53820854      4.65782849    -12.48445010
  O     16.71374098      8.23746177     -9.52111955
  H     14.86787852      5.10921548    -15.27819343
  H     18.60942727     11.06036103    -14.30174998
  O     19.28908599      8.33692890    -15.42441300
  H     15.19651970     10.98372061     -8.88532370
  H     17.19325103     11.35698914    -14.80696610
  O     17.74070325      4.08675590    -14.42658882
  H     15.88002281      9.77005159     -9.56123912
  H     19.78938157      7.03899687    -10.69539850
  O     16.87595454      9.19646010    -18.23468323
  H     14.38355025      6.26086479    -11.67287002
  H     18.57016710      7.07706613    -11.64717249
  O     16.60303355      7.98608533    -14.73517421
  H     15.89491418      6.55231572    -11.81887226
  H     16.64816504     11.13090619    -11.04854682
  O     12.51333159      7.91605293    -13.81617157
  H     14.92976102     10.19507827    -13.37666437
  H     16.60138681     11.08779061    -12.58058672
  O     13.15097230      5.34976380    -12.71740693
  H     15.98692308      9.58221394    -14.30540572
  H     16.90477916      7.52188977    -18.43859025
  O     18.12378946     11.48870651    -15.01815243
  H     18.10208249      5.96755480    -17.12519223
  H     16.91510543      6.30013822    -19.39242378
  O     19.11923512      7.61685417    -11.05236447
  H     19.02162562      6.58308907    -16.04571933
  H     14.46285308      8.49914767    -11.78562965
  O     17.19452198     11.24206329    -11.83470006
  H     16.10983898      7.65144428     -9.99853533
  H     14.33172716      9.90590739    -11.18262566
  O     16.88487803      6.54618296    -18.47245814
  H     17.57613602      8.12550307     -9.93675014
  H     14.92715713     10.45543345    -15.87139221
  O     14.08022893      9.37448487    -11.94739209
  H     19.37917054      9.00776920    -16.11363859
  H     14.00347802      9.61166014    -16.75792733
  O     14.74164987     10.23253758    -16.79099827
  H     19.36322244      8.79292262    -14.57441090
  H     14.20587005      7.03687117    -16.60611912
  O     14.97435616      6.47422338    -16.44638562
  H     18.23768902      3.27400633    -14.45415260
  H     15.52135195      6.45113598    -17.24197843
          69
 Energy    -248.24352515405099     
  O     17.45008888      8.74588790    -15.45365152
  H     16.49665455      8.71325053    -15.30608600
  H     15.94086194      6.51401420    -17.30599461
  O     20.78805755      6.26950308    -13.11240944
  H     17.60003992      8.28380212    -16.28653495
  H     17.25322944      2.30379018    -11.38074802
  O     14.64827247      3.69536308    -16.13790188
  H     20.46328504      5.68561078    -12.41240772
  H     18.15138116      1.09668842    -11.04262441
  O     18.78732469      5.15430791    -16.19132633
  H     21.00420584      5.66892830    -13.83427776
  H     13.29085010      5.86104454     -9.93226434
  O     13.84252088      4.17824395     -9.20186191
  H     14.79119337      4.60486430    -16.45818915
  H     13.67945017      7.34378943     -9.76821659
  O     16.55506228      7.87132254    -11.25857450
  H     13.92181176      3.33750486    -16.64065561
  H     18.78066030      4.85457137    -10.84995194
  O     19.24762526      2.24498032    -14.21060530
  H     18.34527341      5.25065729    -15.33442844
  H     19.16189200      3.49866701    -11.48478203
  O     17.35058164      5.51769707     -9.97617400
  H     19.67813200      4.84494675    -15.98477931
  H     14.90995584      4.05221072    -14.35408664
  O     17.68777787      7.06255588    -17.75985098
  H     13.28746997      3.45702976     -8.91493779
  H     16.10158454      4.71558977    -13.60557386
  O     17.70830093      5.38666201    -13.62806973
  H     14.48211606      3.80509299     -9.82898770
  H     19.44467273      7.54738851    -13.15453804
  O     21.07768046      4.08957239    -15.03437712
  H     17.31606112      8.05092222    -11.82944586
  H     18.32735404      8.34441659    -13.94970305
  O     15.10778915      6.24714573    -16.89846678
  H     15.83046637      7.57331999    -11.82604369
  H     14.57710118      6.01574030    -13.02332922
  O     18.09706328      1.87530093    -11.59195715
  H     18.83601423      2.01192402    -13.37302584
  H     13.82896765      6.87805207    -11.95763769
  O     13.16548980      6.73753246    -10.31642792
  H     18.53720828      2.27151486    -14.86940535
  H     16.37491476      4.16039666    -10.66867104
  O     19.36681975      4.43973175    -11.50071037
  H     16.94753266      5.57837938     -9.09911991
  H     15.51806195      3.68214666    -11.88498051
  O     15.19428710      4.38478572    -13.49500826
  H     17.12798369      6.33440104    -10.44269864
  H     17.81454556      3.51504020    -16.39531299
  O     18.58022449      7.97806684    -13.08836564
  H     18.14047355      7.16027876    -18.59300731
  H     16.41183770      2.92385420    -16.19428398
  O     14.37716323      6.92314777    -12.75491542
  H     18.15313010      6.36543911    -17.26404894
  H     15.02875269      5.25949073     -8.08516481
  O     15.83345201      3.42860757    -11.00433413
  H     18.30668157      4.92190574    -13.02936447
  H     15.48957872      6.72867850     -8.00644219
  O     17.34767551      2.69475317    -16.18939675
  H     17.88513607      6.32703505    -13.49138960
  H     15.68193479      8.30114924     -9.74163780
  O     15.74251856      5.82690167     -7.76829492
  H     21.88962214      3.65201571    -15.27518097
  H     15.15429296      9.25762543     -8.64937186
  O     15.10447047      8.35774201     -8.96163170
  H     20.48527020      3.40017880    -14.68173531
  H     14.49034152      7.89918492    -14.21507336
  O     14.63165499      8.36795033    -15.05462815
  H     14.86380470      6.96712851    -16.30427833
  H     13.96298216      9.04664931    -15.10495702
          69
 Energy    -248.24347297321214     
  O     18.00677729      7.86415888    -12.40595567
  H     17.13543716      8.28375311    -12.49473775
  H     14.14138287      8.64738672    -15.12953902
  O     11.78560983      8.68084067    -11.68760586
  H     17.87419225      6.92154760    -12.57320091
  H     16.92091940      5.75890798     -8.00218153
  O     19.24103571      9.65286272    -14.07730504
  H     10.87491426      8.76467909    -11.41768431
  H     15.55606140      6.44193007     -8.17125420
  O     12.61763393      7.97111175    -14.40889217
  H     12.29728574      9.29152796    -11.12729034
  H     14.59515700      7.71905498    -11.80581992
  O     17.35933140      5.22571073    -12.85544094
  H     18.87797531      8.96072269    -13.50001845
  H     13.13928831      7.45324727    -11.37728370
  O     17.88895904      8.55146486     -9.72875694
  H     19.97164935      9.26119027    -14.54946140
  H     19.45523354      6.40972639     -7.89013304
  O     17.96966381     11.34172391     -9.91483148
  H     12.29211402      8.24841783    -13.54528427
  H     18.47713770      7.11089170     -8.85972387
  O     15.14744627      8.13329697     -8.98487258
  H     12.81267325      7.02774806    -14.34271423
  H     16.29669194     13.71231870    -14.03345355
  O     13.50023594      5.18851051    -14.39153281
  H     17.87463717      4.83246387    -12.13563987
  H     16.60378488     12.20977204    -14.24870072
  O     16.92794403     10.88539572    -15.28593203
  H     16.44043948      5.01393501    -12.64319287
  H     18.57894789      4.88766166     -9.82009442
  O     16.05137429      6.24978913    -15.21720869
  H     17.97711609      9.51221272     -9.70406006
  H     17.52647083      3.83393255    -10.19579795
  O     15.07789418      8.82481469    -15.30139402
  H     18.00391687      8.28206867    -10.65199602
  H     15.35744881      9.01509439    -13.53241218
  O     15.97014286      5.58922402     -7.99052954
  H     18.40053967     11.54770930    -10.76476904
  H     15.49139912      9.86453600    -12.21107376
  O     14.03486872      7.09979725    -11.31130143
  H     18.26161283     11.99890715     -9.28844490
  H     18.18426463     12.37442500    -12.80873230
  O     18.70078568      6.25689235     -8.45352126
  H     16.06379076      8.32454307     -9.22369410
  H     19.14024462     11.17366339    -12.95810594
  O     16.50903540     12.90607587    -13.57201725
  H     14.75236982      7.69465217     -9.75371225
  H     16.28118068     11.46798490    -10.78321509
  O     18.35641102      4.23004877    -10.48970897
  H     13.87304086      4.86060184    -13.55655514
  H     15.74718738     12.06600142    -12.10977408
  O     15.55646368      8.97863789    -12.58677740
  H     13.04833321      4.45196956    -14.79682355
  H     14.46278266      5.46442696    -11.69258077
  O     18.90870263     11.90668122    -12.37387871
  H     17.72493186     10.42182448    -15.00330722
  H     14.99279600      4.07942171    -11.23000755
  O     15.51199264     11.49466179    -11.36634062
  H     16.25289453     10.20839905    -15.43552604
  H     14.01157409     10.77562127    -10.47922780
  O     14.73039884      4.58519606    -12.00828359
  H     15.19599317      5.83015885    -15.05850861
  H     13.92560275      9.58571663     -9.50897460
  O     13.38667700     10.17915220    -10.04707781
  H     16.65140740      5.87578492    -14.56187591
  H     15.47652703      2.67352185     -9.11856896
  O     15.69947691      3.44519953     -9.63241991
  H     15.51217561      7.96175070    -15.38612287
  H     15.71824369      4.19735124     -9.01360240
          69
 Energy    -248.24314229882603     
  O     15.84548197     11.50554491    -15.24399757
  H     16.37297170     11.57270268    -14.43583052
  H     19.01742616      9.41527510    -11.11558058
  O     16.72637873      7.24088732    -11.04778842
  H     14.93736976     11.69115209    -14.98028405
  H     14.81989317      7.74914171     -8.68591891
  O     12.10757717      6.98075308    -12.82592021
  H     16.01406482      7.00035639    -10.43565540
  H     13.73325543      7.12674988     -9.57193789
  O     13.38939546     10.15718889    -10.00366753
  H     16.57211534      6.80767520    -11.89661838
  H     14.53737161     12.77492535    -11.28105746
  O     19.53258312      9.87141288    -12.90792793
  H     11.49268198      6.64979630    -13.49725386
  H     13.43867425     11.73991733    -10.97521589
  O     13.21112115      5.20686248    -15.74979480
  H     12.54763616      7.75892555    -13.19884130
  H     14.77342928      9.77803543    -11.21444493
  O     16.17515948      6.26785681    -13.62454778
  H     13.87087672     10.01762602     -9.17676129
  H     15.88265599      8.74671375    -11.58944123
  O     13.48997484      9.13310147    -13.84102684
  H     12.81126213      9.39154567    -10.10994348
  H     16.42540662     10.13207630    -16.12502565
  O     16.89960823     10.90454345     -8.94357258
  H     20.44808310      9.92230478    -13.16776586
  H     17.10137178      9.59125982    -17.40844353
  O     13.88876891      4.81260143    -12.93900012
  H     19.12259444      9.17868553    -13.45732543
  H     17.79679508      8.47037766    -15.20809455
  O     14.97498549      9.44730663     -7.81158092
  H     13.51367434      4.83611329    -14.91280897
  H     17.69405905      7.35352251    -14.14282666
  O     18.58319380      9.18636553    -10.28669185
  H     13.76215783      5.98815825    -15.89837425
  H     11.15751105      7.46259209     -9.82248454
  O     14.64041066      7.00117688     -9.27152730
  H     15.52023820      5.61849153    -13.33795464
  H     11.96538732      7.41927627    -11.13948829
  O     13.67213455     12.46332506    -11.57272969
  H     15.75249071      6.72531423    -14.36525785
  H     10.01331018      5.80190074    -15.56049915
  O     15.38428432      9.50882754    -11.91192630
  H     14.21701851      9.21006334    -13.20347810
  H     11.53134634      5.65757552    -15.34367478
  O     16.76588813      9.32736115    -16.55607936
  H     13.23248968     10.03699866    -14.05573742
  H     16.73774007     12.55705401    -11.55639307
  O     18.25713859      8.06845026    -14.46054810
  H     17.55256044     10.34823857     -9.39643409
  H     16.83375415     13.89375036    -10.78433631
  O     11.99542310      7.70237757    -10.21019853
  H     16.73553202     11.66778818     -9.50553421
  H     14.26951313      8.13371326    -15.13415068
  O     10.70555973      5.95610010    -14.92446401
  H     13.27641042      5.55802093    -12.83092242
  H     15.43883320      8.10265367    -16.14805809
  O     16.36519397     13.06326862    -10.81369742
  H     13.68228465      4.18553205    -12.25024212
  H     13.35955836     12.13824239    -13.25407155
  O     14.78724371      7.54651714    -15.70411180
  H     14.98165834      9.57631903     -6.86759084
  H     12.52831077     12.49128086    -14.50874492
  O     13.19923656     11.89683813    -14.18436798
  H     15.71732299      9.96968167     -8.17021514
  H     16.56704046     10.71189314    -12.49295493
  O     17.19088535     11.39015905    -12.79942440
  H     18.04206593      8.40861357    -10.48321711
  H     18.06008582     10.97309402    -12.84358318
          69
 Energy    -248.24304355361699     
  O     10.11284490     13.58029572    -12.64802148
  H      9.35802994     14.08481798    -12.94148030
  H     15.00161001     10.01146211    -11.39308350
  O     14.75878276      9.08406730    -17.14267518
  H     10.43877968     13.08917098    -13.42069052
  H     14.11887883      7.41736359    -12.72039340
  O     11.06549140      9.39141884    -11.80224920
  H     15.43553056      8.96463910    -17.80424460
  H     14.92346557      7.92995918    -11.52251689
  O     14.07130398      8.20989939    -14.46072481
  H     15.14370959      9.65176078    -16.45474356
  H     13.75776487     14.73627512    -12.17784651
  O     12.70820298     12.13946189     -9.55167294
  H     10.59098736     10.10268263    -11.34615381
  H     14.61906975     15.72589922    -13.00054701
  O     11.51865913      9.41010691    -14.48296060
  H     11.34387771      8.74452920    -11.14311120
  H     12.97184944      7.42676864    -10.60205071
  O     13.06165544      9.77872236     -8.23101646
  H     14.18202897      7.98014713    -15.38821690
  H     11.93555448      6.78248999     -9.64977190
  O     13.49396389     10.84615182    -11.87589272
  H     14.61614622      9.00415110    -14.35520957
  H     17.19503254     11.77025780    -12.48149964
  O     16.51076445     13.09942661    -11.68174229
  H     12.73379359     11.39348929     -8.93249651
  H     18.48465866     11.04152881    -12.93582367
  O     10.05993442     11.61415354    -10.57933022
  H     13.01790386     11.77421837    -10.39597877
  H     11.21253220     11.20813071    -14.64505968
  O     13.82569044     12.45322983    -14.15140989
  H     12.38509668      8.98276965    -14.46557950
  H     11.01618048     12.32822689    -15.70840746
  O     15.81792714      9.52577828    -11.19153887
  H     11.17034169      9.31171475    -13.58476911
  H     15.76668814     11.71627688     -8.77838697
  O     14.25357017      7.27987219    -11.77484370
  H     14.02382684      9.71193287     -8.18287989
  H     14.57549972     12.60194837     -9.15136929
  O     14.49924479     14.80032605    -12.80703329
  H     12.76599598      9.02807444     -8.76030892
  H     14.99285018     11.24591781    -14.72679418
  O     12.25379061      7.62136959     -9.97345639
  H     12.68502800     10.32452352    -11.96071985
  H     16.35163290     10.63361353    -14.29708345
  O     17.53605234     10.95764174    -12.90298285
  H     13.58510456     11.40849735    -12.65494076
  H     10.44071391     12.38931376    -18.25656567
  O     11.13370365     12.16582136    -14.76066389
  H     16.22827980     12.95658470    -10.76616103
  H     11.35233317     11.37795266    -17.53926911
  O     15.53912429     12.58155285     -9.13895643
  H     15.90079350     13.74176397    -12.05876046
  H     15.94623286      9.64763586     -9.42384755
  O     15.60357764     10.51211380    -14.89358624
  H     10.83737935     11.86064612    -10.06364217
  H     16.62081094      9.30741319     -8.07343866
  O     10.98738225     12.27865534    -17.48360307
  H      9.96191398     12.29940208    -11.25232832
  H     12.46527915     13.78658115    -10.46956230
  O     15.91131472      9.80954927     -8.46562161
  H     14.05733933     13.31879196    -13.79124876
  H     11.58159951     14.22262990    -11.66000842
  O     12.38765524     14.44078593    -11.17478582
  H     12.90663927     12.47711549    -14.44819560
  H     12.91484088      9.51755627    -17.33206294
  O     11.97521655      9.73371443    -17.29137779
  H     16.50726950      9.90709212    -11.74699462
  H     11.68496080      9.50745400    -16.39844655
          69
 Energy    -248.24300455788466     
  O     12.42254044      8.34078186    -16.08615353
  H     13.28997256      8.00636924    -16.34146297
  H     17.34584550      5.99522344    -13.64868662
  O     16.76243583      7.18984020    -12.30307429
  H     12.46293577      9.29746225    -16.20649900
  H     19.50039308      9.94939854    -13.88923241
  O     15.77958462     11.37964053    -11.73693125
  H     15.92587948      7.03968641    -11.84139048
  H     20.69784331     10.43660416    -13.03968446
  O     17.40030357     11.66023967    -16.35270733
  H     17.20006947      7.92810915    -11.85928042
  H     15.28083809      9.31074667    -17.42467919
  O     14.85028737      4.98497392    -15.48682021
  H     15.21991915     11.18097497    -10.97212017
  H     15.99113992     10.67054430    -17.15102088
  O     13.98855668     10.38276975     -9.88697822
  H     15.21723104     11.21963527    -12.50880088
  H     16.31455370      8.20937609    -13.70315526
  O     14.29610860      6.98819162    -11.06675669
  H     17.70245190     12.41771874    -16.84845605
  H     17.08128356      9.08391683    -14.72379785
  O     14.20532818     10.61916293    -13.87735443
  H     17.39706461     11.92582775    -15.41578090
  H     11.63099682      7.74007141    -14.67334508
  O     18.11449014      7.11894986    -16.64522806
  H     14.30821285      5.16144336    -14.69690703
  H     10.32416196      7.25143514    -14.00086186
  O     14.85498397      7.99278511     -8.49217392
  H     14.60273950      4.11946800    -15.80140096
  H     17.69379047      8.92186856     -9.51450349
  O     18.81010990      9.43056172    -15.41293179
  H     13.39077507      9.99969018    -10.54274213
  H     18.36926777      8.18536866     -8.34557957
  O     17.49942862      5.51795709    -14.47441645
  H     14.25560918      9.64831531     -9.32287405
  H     13.69613511      5.87300491    -12.47238913
  O     19.74743169     10.35973241    -13.04161096
  H     13.77597206      7.72491343    -11.42146211
  H     12.56601306      6.10615156    -13.49034140
  O     15.21674368     10.26356460    -17.56051110
  H     14.44849465      7.18968778    -10.13581099
  H     17.00721025     12.12344474    -12.98613602
  O     16.19710190      8.83030110    -14.43532116
  H     13.74795310     10.90327977    -14.67587142
  H     18.44022286     11.76518796    -13.41088844
  O     11.24879437      7.41562120    -13.83759519
  H     14.90046053      9.99715520    -14.14437257
  H     17.09303884     10.17216262    -11.37116859
  O     17.52609385      8.50909518     -8.65212784
  H     18.04237878      6.50872646    -15.89314488
  H     18.55413492      9.79491644    -11.74791240
  O     13.34601247      5.56447341    -13.31726596
  H     17.21951289      7.19330998    -16.98666328
  H     12.10496358      8.54470242    -12.60539764
  O     17.65091656     12.24057351    -13.69622816
  H     15.81430696      8.15346634     -8.48753570
  H     13.20574401      9.62341237    -12.73229400
  O     17.80676006      9.54214512    -11.19249392
  H     14.60603975      7.78267358     -7.59587100
  H     12.52896750     11.83885259    -16.81440148
  O     12.74065863      9.06152185    -12.09582573
  H     18.44998887     10.16852282    -15.92120368
  H     13.75036864     10.88625063    -16.87633870
  O     12.95762190     11.11971547    -16.35937779
  H     18.69395903      8.61388249    -15.92306535
  H     15.02175616      6.59933076    -16.37809288
  O     15.14668627      7.52620539    -16.62390169
  H     16.63064830      5.21675323    -14.76719297
  H     15.50687015      7.95916165    -15.83274987
          69
 Ord_Energy   -248.242752    
 O   -5.99388647      -10.1725397       8.48707962    
 H   -6.82718086      -9.75799179       8.75431442    
 H   -5.77725029      -9.83727741       7.60342598    
 O   -9.86729336      -7.62364149       4.51071215    
 H   -9.25813389      -7.91322374       5.20972776    
 H   -10.6954107      -7.45038795       4.96974993    
 O   -8.50636196      -8.98853016       9.03856850    
 H   -8.53849888      -8.20076656       9.59321499    
 H   -8.48707294      -8.66514111       8.12357712    
 O   -4.54605770      -8.41600895       10.0803280    
 H   -4.95502138      -9.13029194       9.56741714    
 H   -3.76994658      -8.79395962       10.4855070    
 O   -10.0368528      -11.3108511       4.38308668    
 H   -9.76858425      -10.7697639       3.63179922    
 H   -9.29297352      -11.9002447       4.55535221    
 O   -7.56893158      -12.3543596       7.54223299    
 H   -8.40628815      -12.1290646       7.96582937    
 H   -6.91566038      -11.7438145       7.90507030    
 O   -5.29168367      -6.72122288       4.64832830    
 H   -6.15384579      -6.48530388       4.27775097    
 H   -5.12289906      -6.09309196       5.36195230    
 O   -7.95748425      -5.12767935       6.20570326    
 H   -7.96255350      -5.20231676       5.24257040    
 H   -7.05054569      -4.91356373       6.45968914    
 O   -5.22528887      -4.94967222       6.84896612    
 H   -5.41301441      -5.40805054       7.68984890    
 H   -4.65929365      -4.21181536       7.05768681    
 O   -8.58733654      -6.41841269       10.1253510    
 H   -8.88817024      -5.96877909       10.9101305    
 H   -9.16499138      -6.12847376       9.39570713    
 O   -10.0740919      -5.69484997       7.98074484    
 H   -9.44766808      -5.34944391       7.33039522    
 H   -10.6783657      -6.27710629       7.50436115    
 O   -5.89798307      -6.19282579       9.11454391    
 H   -5.39110613      -6.92401314       9.49475956    
 H   -6.78117943      -6.23518085       9.49619102    
 O   -5.66405344      -9.16118240       5.92053461    
 H   -5.37142849      -8.32318592       5.53742838    
 H   -5.94915867      -9.71985054       5.18282032    
 O   -5.15930367      -8.46706200       2.37671399    
 H   -4.96813583      -7.86865044       3.10989881    
 H   -5.47521877      -9.28873634       2.77644181    
 O   -7.34049702      -7.43770170       1.12924850    
 H   -6.50629950      -7.80458546       1.47380078    
 H   -7.20043564      -7.25443411      0.204387605    
 O   -7.83306074      -6.01152802       3.53569984    
 H   -8.61077023      -6.50817966       3.83274126    
 H   -7.66932583      -6.31295252       2.63406134    
 O   -11.8265905      -7.45149231       6.50571251    
 H   -12.7775497      -7.38434076       6.51427794    
 H   -11.6144085      -8.40065193       6.58606148    
 O   -11.1759186      -10.0661535       6.60173273    
 H   -10.8307552      -10.5002079       5.80783987    
 H   -10.8350620      -10.5643339       7.35139513    
 O   -9.89374638      -11.3236017       8.83657169    
 H   -9.44045544      -10.4794664       9.00838184    
 H   -10.2842894      -11.6010180       9.66135883    
 O   -8.08387375      -7.97094059       6.53759432    
 H   -7.96233320      -7.01287460       6.55267763    
 H   -7.23859739      -8.37857151       6.30862999    
 O   -6.58509254      -10.5365934       3.71126795    
 H   -6.84385061      -11.4029760       4.05058146    
 H   -7.38805342      -10.1385498       3.34568214    
 O   -7.64318037      -12.8386688       4.88814306    
 H   -7.54823780      -13.7762213       4.74396038    
 H   -7.59496975      -12.6963673       5.85050154    
 O   -8.88550854      -9.35843182       2.60537887    
 H   -8.47325325      -8.77769184       1.95558405    
 H   -9.33457756      -8.77406025       3.23520279    
          69
 Energy    -248.24252886549215     
  O     11.86648094     10.90656853    -15.54421839
  H     12.24839019     11.68286341    -15.11818046
  H     15.09188823      6.21523577    -16.44486798
  O     15.57142563      6.87972733    -13.48958734
  H     11.38925640     10.41515475    -14.86425841
  H     18.75881238      8.07337474    -14.46372096
  O     16.55585574     10.79166300    -11.57840387
  H     14.74712565      6.75348929    -13.00122729
  H     18.48801483      8.24820262    -12.94057360
  O     17.44997108     10.84577988    -14.32606292
  H     16.21584775      7.21198365    -12.85038305
  H     16.38742528     12.26234813    -15.13959085
  O     13.28580917      6.75178834    -16.80143997
  H     17.05439666     10.99857896    -12.37539143
  H     15.62074537     12.25805052    -16.47845730
  O     13.84654019      8.90751749     -9.05974962
  H     15.62463499     10.89570468    -11.83097372
  H     14.62924284      9.36030377    -15.41157421
  O     13.33274263      6.71752487    -11.89431910
  H     16.62165887     10.35129413    -14.44687562
  H     15.25381267      8.47397833    -14.28175758
  O     14.02832925     10.96806684    -12.63227807
  H     18.11565624     10.18006983    -14.08896321
  H     10.94957966      8.37629259    -13.95081865
  O     17.80531502      9.94899103    -17.04132436
  H     12.79381878      6.42083008    -17.54932802
  H      9.58383929      9.06158116    -13.71208508
  O     15.26123790      6.74185835     -9.78253928
  H     13.39518463      7.70841143    -16.94101734
  H     12.36757575      6.77404951    -15.10609132
  O     18.37075183      7.30090266    -16.20669805
  H     14.40854528      9.68815991     -8.95183910
  H     12.33825186      6.63369751    -13.55510909
  O     15.96856005      6.06811796    -16.07413116
  H     13.17770430      9.12242621     -9.72067587
  H     16.94247211      8.94019469    -11.44852411
  O     18.92291256      8.64653681    -13.70393483
  H     13.91619451      6.53150117    -11.14829053
  H     16.61594041      7.55271177    -10.83709392
  O     15.67161559     12.69576530    -15.61975361
  H     12.94209425      7.58516702    -11.71219588
  H     16.11914439     11.01106384     -9.80778027
  O     15.10897027      9.38240617    -14.57568306
  H     13.72783448     11.77583364    -13.06507897
  H     16.15706600     11.62621287     -8.40083726
  O     10.52555695      9.20593511    -13.66413421
  H     14.32620467     10.37263474    -13.33901351
  H     15.77160584     11.50412932    -18.90970192
  O     11.82902285      6.92548867    -14.32104287
  H     17.86458546     10.37791777    -16.17967524
  H     16.41747755     10.66832201    -17.77735383
  O     17.14515066      7.99702841    -11.51243385
  H     18.00877041      9.02019207    -16.87413232
  H     12.89261750      9.91292139    -11.76270491
  O     15.67682526     11.00761873     -8.94559450
  H     15.38862150      6.15086754     -9.04544087
  H     11.52278161      9.27935055    -12.03932194
  O     15.60682658     11.13946075    -18.04424571
  H     14.76680236      7.51210488     -9.44471248
  H     14.15889208     12.99327133    -14.80518625
  O     12.25704111      9.26928306    -11.41412943
  H     17.51298394      6.84129216    -16.22115688
  H     13.11301498     13.99381557    -14.25575035
  O     13.31528037     13.06479202    -14.32290429
  H     19.00666423      6.70172877    -16.58965156
  H     14.25279638     10.03106431    -17.44335529
  O     13.65190884      9.44498551    -16.96771460
  H     15.86155636      6.19875246    -15.11937914
  H     12.96355507      9.98499570    -16.54578165
          69
 Ord_Energy   -248.242447    
 O  -0.634285212      -3.39453936     -0.840279996    
 H   -1.38811231      -3.99382949     -0.750299752    
 H  -0.523894846      -3.19063592      -1.77717769    
 O   -2.78574467      -5.12353516     -0.515926182    
 H   -3.00678658      -5.43109846      -1.40371990    
 H   -3.53764009      -4.64455318     -0.144305795    
 O    3.11746144      -3.76652646      -1.98489106    
 H    3.02967143      -2.83131623      -1.75052726    
 H    2.73643541      -4.24509954      -1.23648441    
 O  -0.238894045      -2.77367616      -3.54388332    
 H   0.464613736      -3.37748051      -3.81428719    
 H   0.136097535      -1.88943505      -3.44265366    
 O   -1.06636238      -1.40655375      0.996579945    
 H  -0.901005864      -2.04600930      0.287790954    
 H   -1.61250901      -1.85728037       1.65964794    
 O  -0.869256318      -4.95896816       3.29515123    
 H  -0.994531810      -5.60377741       2.57627559    
 H  -0.886480749      -5.45528030       4.10987091    
 O   -1.96034110      0.517777324      -2.44643497    
 H   -2.20179272      0.691197097      -1.52812159    
 H   -2.69505572       1.68001391E-02  -2.82113767    
 O    1.57398093      -1.14429998       1.63503301    
 H    1.74905908     -0.376570910       2.17418694    
 H   0.618091524      -1.15411329       1.45913410    
 O   -2.69007397      0.647168875      0.275873005    
 H   -2.06882882      -4.81034182E-02  0.555665612    
 H   -2.74492049       1.27562070      0.990547240    
 O    1.56483889      -4.87937260       3.85748707E-02
 H   0.820312977      -4.34658146     -0.276366770    
 H    1.73797417      -4.60340309      0.949239790    
 O   0.810113132      -7.39358282     -0.566156864    
 H    1.51912153      -8.01675606     -0.431015760    
 H    1.15896988      -6.51494122     -0.327621788    
 O   -4.64975309      -1.26390827     -0.545750380    
 H   -4.07496738     -0.568258047     -0.205753207    
 H   -4.56461811      -1.22900605      -1.50711584    
 O   -4.71545935      -3.60152769      0.785605788    
 H   -4.72096252      -2.75359225      0.304932505    
 H   -5.61418390      -3.77044082       1.05500650    
 O    1.71442401      -4.69725657      -4.05977917    
 H    2.28366232      -4.87953806      -4.80188227    
 H    2.28565311      -4.37606049      -3.33685565    
 O   -2.90695596      -3.30251241      -4.04119492    
 H   -1.96254635      -3.10621548      -3.95576072    
 H   -3.00769258      -4.23039770      -3.80334568    
 O   0.595229924     -0.164888263      -2.98011231    
 H  -0.314340085      0.117203027      -2.77656031    
 H   0.963704407      0.499653548      -3.55699134    
 O    1.70192301      -3.87154031       2.57001042    
 H   0.821010351      -4.11994362       2.87797308    
 H    1.67883182      -2.93057823       2.35571074    
 O   -2.63684821      -2.85404921       2.65310192    
 H   -2.09737158      -3.61207485       2.91628194    
 H   -3.36469412      -3.19148660       2.11793303    
 O   -1.29913282      -6.67780018       1.24194014    
 H   -1.88526273      -6.20049763      0.637324870    
 H  -0.608837545      -7.05751228      0.687185407    
 O   -2.93749976      -6.00874233      -3.16258359    
 H   -1.97991395      -6.19472504      -3.15237427    
 H   -3.35678911      -6.75520754      -3.58149958    
 O    2.53385782      -1.19850802      -1.11868834    
 H    1.83692312     -0.791266382      -1.64649677    
 H    2.24420977      -1.16918993     -0.199840367    
 O  -0.284355819      -6.47652102      -3.02460408    
 H   0.410066128      -5.92129326      -3.39809108    
 H    7.49655068E-02  -6.86222363      -2.21590924    
 O   -4.17519569      -1.05474126      -3.31816864    
 H   -4.77671719     -0.807455599      -4.01512909    
 H   -3.75625920      -1.89062178      -3.59273314    
          69
 Energy    -248.24241754690672     
  O     15.47266702     10.03614354    -16.60690488
  H     16.02625597      9.49733975    -16.01881258
  H     18.93653454     10.96419646    -17.01289680
  O     14.78281111      5.61031053    -13.38823324
  H     14.61669910     10.10996252    -16.17177005
  H     17.98481753      8.65337462    -14.96717693
  O     17.11695780     13.75764332    -11.44424412
  H     14.64867139      4.73520840    -13.03438370
  H     16.94422350      7.51774051    -15.24806558
  O     19.78358303      9.16899535    -14.81866268
  H     15.46485725      5.53522124    -14.07931404
  H     12.22484812     10.14642622    -15.21974890
  O     14.70671602      5.97470046    -17.53032389
  H     17.10627400     13.25750672    -12.27798003
  H     13.16003336      8.91981954    -15.10750000
  O     17.68486389     10.13312946     -9.18704114
  H     16.97856215     14.67325182    -11.67168624
  H     17.45524786      8.13709502    -11.61861034
  O     15.89722310      8.03138234    -12.53018613
  H     19.90370865      9.65205633    -15.64443770
  H     18.19458715      8.80848631    -10.44265922
  O     17.09177503     12.01483254    -13.58535727
  H     19.72773078      9.81007387    -14.09399239
  H     13.71397770      6.81186805    -16.11663712
  O     19.75014468      6.82736458    -13.38966681
  H     14.33813734      5.44001658    -18.22727892
  H     13.68043762      6.65572999    -14.58696592
  O     19.29144216      5.65990785    -15.80330999
  H     15.16247168      6.72412982    -17.95860653
  H     18.63576950     12.87424708    -10.61586754
  O     16.55159312      5.66809095    -15.46599911
  H     17.50913708     10.02415301     -8.25592703
  H     18.85020807     11.56447449     -9.83256683
  O     19.68125066     10.40036302    -17.29089134
  H     16.91262728     10.59166457     -9.56397786
  H     18.96451524      9.76779357    -12.13717329
  O     17.04375900      8.43748883    -14.97135342
  H     15.44149155      7.18887224    -12.63769478
  H     19.45683014     11.21025413    -11.85501059
  O     13.12145614      9.88945324    -15.02113941
  H     16.31535314      8.22470237    -13.38594894
  H     15.22165226     11.23241737    -11.12202396
  O     18.33655880      8.29774974    -11.25057320
  H     16.28421199     11.51339760    -13.40761023
  H     16.05914409     12.40538656    -10.58640620
  O     13.34580286      7.19648492    -15.31157120
  H     17.83484491     11.48414393    -13.26190762
  H     19.12601068      8.59159253    -17.70740100
  O     19.30829750     12.22906810    -10.36307115
  H     19.35407451      7.11859938    -12.56233955
  H     19.04954348      7.13185482    -17.19133318
  O     19.24978449     10.58767120    -12.56525342
  H     19.93615228      7.64311917    -13.88139779
  H     15.12720642      9.65013892    -12.62036802
  O     15.66393938     11.56275858    -10.32954220
  H     19.98993892      5.04308909    -16.00635700
  H     14.15580510     10.42575566    -13.53430190
  O     18.74162388      7.72416656    -17.88457651
  H     19.46775560      5.99285834    -14.90508845
  H     17.47099505     12.04076153    -15.44667041
  O     14.80635277     10.53963188    -12.83177447
  H     17.47755795      5.50619802    -15.68811789
  H     16.78265919     11.33328348    -16.61745214
  O     17.57511179     11.83687435    -16.38424835
  H     16.01897440      5.67387659    -16.27315637
  H     17.00764437      7.92450172    -18.37483676
  O     16.05545167      8.04715402    -18.50395748
  H     20.21888469     10.92423707    -17.87808126
  H     15.80687902      8.82949519    -17.99484471
          69
 Energy    -248.24230194987487     
  O      2.27462492     -1.17729855      4.02897320
  H      2.21427131     -0.21228008      4.00306975
  H      0.91972983     -0.10934443     -0.71588768
  O      3.45510520      0.78479659      6.54428148
  H      1.73307741     -1.52734931      3.31028810
  H     -2.07534639      3.36875537      2.03661555
  O     -1.96420247     -3.89071293      6.87960111
  H      2.79942870      0.75533122      7.25114577
  H     -1.77292579      1.85131559      2.01910534
  O     -0.80867920     -1.45390778      9.32291536
  H      3.79545971     -0.11256266      6.47149102
  H     -1.24824692      1.23392999      5.20632901
  O      2.33116135     -4.77790579      5.88892460
  H     -2.43727010     -3.12627708      7.22990725
  H     -1.03085908      2.35759709      4.15933769
  O      0.52726005     -2.17179568      2.14337552
  H     -1.09594050     -3.89534428      7.29958031
  H     -2.18334118     -0.46501434      1.88065635
  O      0.66732233     -4.46828476      3.77988548
  H     -0.18175250     -0.74218057      9.14098849
  H     -1.24234702      0.07086889      0.78057253
  O      3.72085662     -2.22366462      6.12729091
  H     -0.34549890     -2.26902258      9.10686466
  H      0.26666012      3.68413492      7.63576842
  O      2.71427876     -2.00651877      8.76657510
  H      2.75250524     -5.63079058      5.82005502
  H     -0.26874993      2.61346595      6.66892517
  O      0.72488738     -3.61039991      7.84993443
  H      1.77319847     -4.67771428      5.09660703
  H      0.32112197      2.38113669      1.85622583
  O     -2.05322994     -1.80712792      3.18562580
  H      0.61214785     -1.59559214      1.37369496
  H      1.62734837      1.90125694      2.51055624
  O      0.57153639     -0.19610978      0.16712519
  H     -0.35709821     -2.01784485      2.50618909
  H      0.55338988     -2.16234651      6.62784986
  O     -1.50421724      2.70265884      2.40952118
  H      0.75538801     -3.78213593      3.10661508
  H      1.11032104     -1.34231685      5.41936746
  O     -0.72965393      2.02854410      5.01558579
  H     -0.28171720     -4.56270432      3.92606698
  H     -2.11655086     -4.25860079      5.19452045
  O     -2.03091994      0.28704103      1.29356889
  H      3.43905345     -3.14600820      6.09513975
  H     -2.75574861     -5.15156393      4.10356537
  O      0.06212633      2.75449483      7.56996586
  H      3.35794859     -1.84342791      5.31283943
  H      0.92357576     -0.18380525      7.46949875
  O      1.17884535      1.98548265      1.65859536
  H      3.18505232     -2.03383458      7.92058463
  H      0.77369686      1.22293149      8.12987090
  O      0.46496180     -1.33724824      6.13759949
  H      2.33202895     -1.12321075      8.82792187
  H     -3.89699059     -1.36703516      8.46119357
  O     -2.14981208     -4.42718577      4.23583211
  H      1.42206971     -3.12066894      8.31702454
  H     -2.35042016     -1.39182486      8.48485917
  O      1.15516440      0.34117009      8.25246588
  H      1.19650863     -4.17312945      7.21991057
  H      1.08976051      1.71829379      4.62913015
  O     -3.12916494     -1.47271413      7.90586335
  H     -2.11103135     -1.27183485      3.98971986
  H      2.56184435      1.45512752      5.08320156
  O      1.98886597      1.56273913      4.31045975
  H     -2.19803314     -2.72172090      3.45796145
  H     -2.54761065     -0.63687834      6.31491726
  O     -1.99286962     -0.38091675      5.56960563
  H      0.87224230      0.58446547      0.66697516
  H     -1.11503449     -0.75725429      5.75279211
          69
 Energy    -248.24224889857004     
  O     12.42916634     12.45137775    -12.98649826
  H     12.14119874     13.31634217    -12.70362637
  H     19.42890221     12.04574532    -16.54185740
  O     19.18746726      9.57888656    -11.75292115
  H     13.21525354     12.58859931    -13.53980171
  H     12.97684168      9.63858587    -16.50955405
  O     15.58878281     10.21614679    -11.13362835
  H     18.93723603      9.62107062    -12.69005153
  H     11.81204652     10.58992011    -16.21456535
  O     10.82711919     10.74273230    -14.68383192
  H     18.84103567     10.39339548    -11.37588781
  H     16.48505202      9.98388484    -14.10663900
  O     13.86715896      8.46207679    -15.23405260
  H     15.90339008      9.30196536    -11.07680000
  H     15.48234377     10.15790704    -12.94164989
  O     14.89519554      6.43295208    -13.58643920
  H     16.34071274     10.81395352    -11.04208331
  H     13.59475409     11.66165017    -17.23290740
  O     18.73435095      6.92141477    -11.86280164
  H     10.94078471      9.88667987    -14.25159773
  H     14.01418782     12.89130324    -18.07503743
  O     14.69624333     12.64646474    -14.57768537
  H     11.27738170     11.38082088    -14.11734309
  H     13.07677615      8.38698402    -10.45949553
  O     16.04339468      7.48841005    -11.23738412
  H     13.06571673      8.42916236    -14.69157061
  H     14.31543180      7.46790727    -10.37979966
  O     16.69495799     10.81103706    -17.44381328
  H     14.46284829      9.10150032    -14.80781285
  H     18.52459607     10.16602633    -15.01979423
  O     17.54989223      6.84280559    -14.52328948
  H     14.55091900      7.09183951    -14.20436698
  H     18.08636480      8.67994380    -14.65744434
  O     18.71808176     11.73843476    -15.98680739
  H     14.11775620      6.03028065    -13.18001384
  H     17.91229208     12.62712037    -14.46868380
  O     12.50338553     10.39822046    -16.86528817
  H     19.42851694      6.40591261    -11.46114522
  H     16.50537886     13.05834702    -14.00731132
  O     15.55135609     10.12807292    -13.90420409
  H     18.97575949      7.85854054    -11.74515087
  H     17.97651334     12.72818364    -10.61493101
  O     14.28224604     12.34450589    -17.34171785
  H     15.00888537     11.74862210    -14.38235883
  H     17.66755481     12.35782991    -12.08258093
  O     13.35534171      7.48305344    -10.26945631
  H     14.55415705     12.68060417    -15.53240543
  H     12.61696304     10.93409504    -11.85768710
  O     18.24104376      9.56924069    -14.31659374
  H     16.97073383      7.23006437    -11.29605619
  H     13.81339869     10.20054749    -11.22966608
  O     17.42041772     12.97195694    -13.71346823
  H     15.63372807      7.17387696    -12.05589379
  H     16.73927342      7.54665658    -16.26944788
  O     17.75298819     11.99545428    -11.18280297
  H     16.50958953      9.86934981    -17.32302463
  H     15.31831035      8.10250345    -16.44066000
  O     12.86945185     10.10690754    -11.42908646
  H     15.85315571     11.27868412    -17.47816699
  H     11.85185977      7.48698103    -13.05395326
  O     16.20221423      8.11680789    -16.82912293
  H     18.07371822      6.76699970    -13.71527478
  H     12.18515220      8.95471723    -12.68113680
  O     11.82036715      8.39279905    -13.38168615
  H     16.66154155      6.56286102    -14.26346183
  H     11.95319727      5.10456284    -11.93972920
  O     12.46339164      5.84998517    -12.24414415
  H     17.99467393     11.45910113    -16.57952185
  H     12.72742944      6.35579620    -11.45411668
          69
 Ord_Energy   -248.242218    
 O   -6.52946520     -0.121256642      -3.89298320    
 H   -6.53052378      0.671191931      -3.34226489    
 H   -6.07779741      0.123987459      -4.70945072    
 O   -4.05704784      -3.88612080     -0.553055763    
 H   -4.61518383      -3.32501245      -1.10601664    
 H   -3.37417769      -4.23215437      -1.14097667    
 O   -2.35775471      -2.26922894      0.876478255    
 H   -3.03079510      -2.89782786      0.579804301    
 H   -1.78563583      -2.13543653      0.109083429    
 O   -1.92417991      -4.47067499      -2.45102477    
 H   -1.60965180      -5.33690643      -2.69509387    
 H   -2.50678897      -4.16943502      -3.17117167    
 O   -2.05887341       1.88448453     -0.224850729    
 H   -1.29274893       1.36063313     -0.496627241    
 H   -2.64552808       1.29041219      0.266894907    
 O  -0.757420301       2.42399716       2.25371265    
 H    4.56953980E-03   1.84598589       2.12132931    
 H   -1.20179594       2.46504545       1.39672363    
 O  -0.798921764      0.863537073      -5.63329506    
 H  -0.426663756       1.14334190      -4.77915430    
 H  -0.106668629      0.978368580      -6.27967405    
 O   -5.00773048      0.648501873      -6.19304609    
 H   -4.42853498       1.37643301      -5.90325642    
 H   -5.39464521      0.913991928      -7.02314329    
 O   0.239473224      0.385566533     -0.902122259    
 H   0.659285069      0.355765700      -3.34774889E-02
 H   -5.79560101E-02 -0.510945857      -1.11673999    
 O   -3.65923047      -3.44548607      -4.26383686    
 H   -3.35289097      -2.72364378      -4.82893038    
 H   -4.36532021      -3.07538867      -3.72122860    
 O   -2.92109704     -0.453222483      -2.77065921    
 H   -3.11683798      0.487060785      -2.68052626    
 H   -2.90152168     -0.653821886      -3.71624041    
 O   -2.86697936      -1.04531455      -5.50731373    
 H   -2.09180379     -0.484247386      -5.64330769    
 H   -3.63209844     -0.556039572      -5.83975887    
 O  -0.742398202      -1.21228039       2.91567564    
 H   -1.27877915      -1.72670221       2.29692602    
 H   -1.34969211     -0.601085901       3.35012293    
 O   -5.92933750       5.19955019E-03 -0.263507277    
 H   -5.18521976       5.75396307E-02  0.352021396    
 H   -5.79036522     -0.783241451     -0.799295783    
 O   -5.22758055      -1.94326341      -2.31512356    
 H   -4.38924313      -1.45715296      -2.34967232    
 H   -5.83160448      -1.44184792      -2.88465786    
 O   -3.52909064       2.28283405      -2.52928710    
 H   -4.47339153       2.28967714      -2.32068276    
 H   -3.03633261       2.31396914      -1.69753194    
 O   -3.62612820      0.144708216       1.29308033    
 H   -3.21701312     -0.722132504       1.15212727    
 H   -3.40238166      0.415638477       2.19164586    
 O   -1.00178313      -1.96968246      -1.54983640    
 H   -1.67433858      -1.41964126      -1.98401749    
 H   -1.14821529      -2.87195086      -1.85909963    
 O   0.164636463       1.81451666      -3.26941371    
 H   0.288858503       1.29706359      -2.45947433    
 H   -1.63270291E-02   2.70719123      -2.98082328    
 O    1.15136576      0.329902679       1.74390292    
 H    2.00540709      0.170737281       2.13654160    
 H   0.525038898     -0.279701740       2.17499065    
 O   -2.48319149      0.924951971       3.74580121    
 H   -2.73796701       1.32496953       4.57248926    
 H   -1.87429702       1.54451382       3.30555201    
 O   -6.26219606       2.03590584      -1.99133193    
 H   -6.19900942       1.34429300      -1.30648565    
 H   -6.96179342       2.62613106      -1.72517097    
 O   -3.19225717       2.43983221      -5.28757715    
 H   -3.27376723       2.49907732      -4.32441425    
 H   -2.33898115       2.02589679      -5.46197796    
          69
 Energy    -248.24219095932409     
  O     18.75752538     10.52837989    -14.47612683
  H     19.24240937      9.74314740    -14.76803570
  H     19.36682018      4.31118876    -14.77326797
  O     21.85102273      6.68055994    -13.87841706
  H     17.89070818     10.46700324    -14.89250537
  H     16.11704750      9.29973980    -12.47070983
  O     13.52017790     10.39045919    -11.09496432
  H     22.55174223      6.76451751    -13.23691730
  H     15.59823414      9.73094355    -13.87970714
  O     16.16561919     10.03139871    -15.58932641
  H     21.25785969      5.98959074    -13.54143923
  H     18.53921373      7.43169006    -14.01104990
  O     12.32036973      7.79273994    -10.93972902
  H     13.29540678     11.31404536    -11.17138681
  H     17.78632169      7.49961166    -12.64292345
  O     19.11473923      3.77974251    -10.64182714
  H     14.12375012     10.18732683    -11.82990482
  H     14.57679936      6.46504467    -13.61890539
  O     15.25929767      5.42308248    -10.80788888
  H     15.75404734     10.59503847    -16.23917663
  H     14.52575670      7.84951800    -12.94229841
  O     19.85751606      4.93472523    -13.07384908
  H     16.29805374      9.16620365    -16.01693933
  H     17.96418140      7.00127179    -10.31232818
  O     16.62150226      3.23188196    -11.96748455
  H     12.78095727      7.39865249    -11.69420725
  H     16.95606111      5.85351381    -10.26370302
  O     16.47552316      3.03990850    -14.65813839
  H     12.53825135      8.73272494    -10.97087074
  H     19.45971960      6.11092801    -18.02503597
  O     19.84587082      8.07002306    -15.15300379
  H     18.73605361      4.62965819    -10.34849551
  H     18.97397929      5.53172656    -16.67665850
  O     18.91931351      4.15225914    -15.61474172
  H     19.48072797      3.35866193     -9.86934565
  H     14.74874508      9.55076614     -9.85630452
  O     15.32572485      9.52398041    -12.97674450
  H     14.73976081      5.69891182    -10.04259339
  H     14.94073998      8.20836338     -9.13140718
  O     17.95524633      6.94362744    -13.41363558
  H     14.92555959      5.94070589    -11.55346535
  H     18.92960674     10.78842723    -12.75394767
  O     14.16320297      6.95507977    -12.89473651
  H     19.72378123      4.43658032    -12.25949538
  H     19.53283418     11.54699654    -11.55504383
  O     17.86638035      6.08726968    -10.02944746
  H     19.14846451      5.59499573    -13.11142935
  H     16.57855153      6.13495600    -14.25172965
  O     19.01684660      6.34357498    -17.21346565
  H     17.47470018      3.27976610    -11.52142057
  H     15.95422170      4.81374967    -14.78442188
  O     15.41667240      8.98365587     -9.45186818
  H     16.06475471      3.90365534    -11.55165486
  H     16.12732209      6.92892380    -16.11292413
  O     18.96543757     10.81620617    -11.78147177
  H     16.53689116      3.05620220    -13.68552119
  H     17.34195415      7.21977671    -17.00594660
  O     15.81371052      5.76525901    -14.72215452
  H     16.00119111      2.24637828    -14.89000398
  H     13.17422266      6.51270144     -8.10607291
  O     16.50735555      7.59527674    -16.70225228
  H     19.63359258      7.54573499    -15.93526635
  H     13.11479333      7.07793298     -9.54683826
  O     13.71288788      6.72524990     -8.86298886
  H     20.63477002      7.67929948    -14.74951664
  H     18.01514449      9.42784013    -11.31772086
  O     17.43341734      8.65436019    -11.25737990
  H     18.10353506      3.69042921    -15.38736571
  H     16.78118079      8.78978256    -10.55187383
          69
 Energy    -248.24202920312081     
  O     16.80818151     11.57416673    -14.00232248
  H     17.10147836     10.67541556    -14.22923969
  H     16.02881755      8.01197348    -10.65774085
  O     18.63486896      8.55768201    -11.79630878
  H     17.03787637     12.13354627    -14.73977553
  H     14.94719657      8.14586030    -12.70979532
  O     15.74304458      9.22310243     -7.87493751
  H     18.02733584      8.24457145    -11.11083052
  H     14.71468415      9.43927674    -11.90015603
  O     12.02153277     10.24035015    -12.76461392
  H     19.28247664      7.85655863    -11.93826321
  H     12.40647067      6.20992274    -12.30242015
  O     17.47794154      4.23308086    -14.75678188
  H     15.88237622      9.32426031     -6.93684450
  H     13.29246887      5.44448367    -13.30954319
  O     12.39187825      8.14142455    -14.71713113
  H     14.81517139      9.46232468     -8.04523651
  H     21.13167199      6.07648976    -12.14260459
  O     16.13923614      5.10859884    -10.80324168
  H     12.14540078      9.57421386    -13.45082670
  H     19.66508890      5.58337284    -12.19779192
  O     13.36414032     10.30374511     -8.63254680
  H     12.86411595     10.70661821    -12.67386386
  H     15.16077997      6.72685046    -14.18557290
  O     18.94662075      6.51910376    -14.93526094
  H     17.69132791      3.64876808    -15.47918220
  H     14.24162262      7.88214381    -14.69865820
  O     15.85871903     11.41929566     -9.81699209
  H     17.98145521      5.05424466    -14.90136563
  H     18.42480734     10.41483175    -11.49532911
  O     14.60005062     11.22851674    -12.26151444
  H     12.31197022      7.31474363    -14.20675519
  H     17.77602094     11.55474205    -12.29706400
  O     16.69743638      7.71515510    -10.01876009
  H     11.80194956      8.06348144    -15.46252189
  H     17.89039028      8.80213942    -13.44747909
  O     14.81080543      8.48240259    -11.81584352
  H     16.40937106      5.97212920    -10.46184104
  H     16.71088759      8.50125212    -14.43825193
  O     12.43984010      5.88837982    -13.21336579
  H     15.34780717      4.85490240    -10.30793612
  H     17.71905416      4.47025303    -11.52625443
  O     20.24987992      6.33806910    -12.39283374
  H     13.84268571     10.98059734     -9.12173590
  H     18.18068082      4.09852842    -12.94966448
  O     15.14810597      7.65801522    -14.45324331
  H     12.61568529     10.04078627     -9.18161501
  H     11.44844116      9.76395083    -11.20011742
  O     18.09480964     11.31994252    -11.41794712
  H     19.51890747      6.49100868    -14.15767422
  H     10.30594474      9.70999483    -10.15691719
  O     17.55951274      8.96082145    -14.34495650
  H     18.53581432      7.39159810    -14.92590804
  H     15.47915579      5.10803332    -12.51093088
  O     18.50447556      4.29259683    -12.06202819
  H     16.70325648     11.46360961    -10.29396701
  H     15.87878085      4.69446791    -13.94990674
  O     11.21416120      9.46058814    -10.30414083
  H     15.97879556     10.74307116     -9.14205588
  H     13.01112735      4.14267243     -9.41330403
  O     15.17231924      5.09769729    -13.42901433
  H     15.28126085     11.41317261    -12.92053317
  H     13.29006471      5.59020874     -9.85059030
  O     13.71523482      4.77219941     -9.54749795
  H     14.99193473     11.41332277    -11.39482975
  H     13.45413110      7.56502156    -11.03905406
  O     12.68938945      7.09574269    -10.67306476
  H     16.46530395      8.13120657     -9.18012173
  H     12.05324123      7.78230711    -10.44276389
          69
 Energy    -248.24188718300175     
  O     -2.87343816     -0.79430087     -0.91276062
  H     -3.74700773     -0.95804397     -0.54737267
  H      1.15180676     -0.62351161      1.47551638
  O     -3.96905147     -0.47758648      5.83162393
  H     -2.36006722     -0.48415527     -0.15591440
  H     -0.18635991     -2.88383001      1.26678509
  O     -4.59765940     -1.25278048      1.53824894
  H     -3.89312310     -1.27100222      6.37625481
  H     -1.48246825     -3.53784367      0.66838064
  O      1.08364631      0.08820711      4.68439764
  H     -4.68745451     -0.64936626      5.20912435
  H     -1.44823126     -4.21764412      2.73347790
  O     -3.46872760     -3.03614583      7.03876180
  H     -4.52525893     -2.19528172      1.31023044
  H     -2.46664771     -5.22781435      3.33993545
  O     -1.58201868     -0.53142881      4.52452203
  H     -3.70422552     -0.90848625      1.65466690
  H      2.02959904     -2.96170977      1.53925904
  O      1.56845137     -2.70791280      4.90451786
  H      1.26845035      0.81561856      5.27333644
  H      1.51476632     -2.73533350      0.07211106
  O     -5.21841697     -3.80994985      4.93071989
  H      0.12139962     -0.05397822      4.71021312
  H     -4.64501707     -4.98988361      3.82318210
  O      2.66179749     -4.10903786      2.87056747
  H     -2.61566308     -3.13259553      6.58228296
  H     -4.73663291     -6.43377166      3.27162900
  O      0.13398064     -6.11129221     -0.56778266
  H     -3.33275412     -3.31929566      7.93908770
  H      0.27721916     -3.13986315     -1.86731086
  O      0.67365776     -5.98369286      2.07924957
  H     -2.41521534     -0.38642205      4.99700781
  H      0.81523433     -4.44468793     -1.24064961
  O      0.78724907      0.20588162      1.81771202
  H     -1.76089407     -0.46455917      3.57896161
  H     -0.96217761     -0.05789688      1.69629390
  O     -1.12255964     -3.06599808      1.42973036
  H      1.54821880     -1.74480004      4.84347776
  H     -1.67565825     -1.43171501      1.63943643
  O     -1.56414941     -4.89479691      3.41913474
  H      0.70483724     -2.96580960      5.24865072
  H     -1.95227036     -1.86352246     -1.97191154
  O      1.52980871     -2.36585327      0.96820386
  H     -5.52986525     -2.96574159      4.58142361
  H     -1.60595031     -2.31845656     -3.40613211
  O     -4.26431415     -5.61132824      3.17576364
  H     -4.68055585     -3.60259940      5.70452126
  H     -1.47571021     -5.21393470     -0.70162344
  O      1.05544184     -3.53439419     -1.45558575
  H      2.29169987     -3.62708365      3.63234960
  H     -2.01447205     -3.95016568     -1.43101737
  O     -1.83745288     -0.47616120      1.71897798
  H      3.57104131     -4.30172250      3.08332662
  H     -6.80931751     -0.89351683      3.79363611
  O     -1.46631311     -2.53082781     -2.48674444
  H      0.34476340     -6.09694009      0.38325967
  H     -5.49623672     -1.21284451      3.04536432
  O     -2.19119968     -4.56430072     -0.70563982
  H      0.38816148     -6.97116206     -0.89137437
  H     -1.32388289     -3.80487721      4.82034038
  O     -5.93106049     -1.24519378      3.91476020
  H      1.39848756     -5.41629432      2.36942653
  H     -1.31935539     -2.26556626      5.10324833
  O     -1.18992775     -3.13576955      5.50831151
  H     -0.08493488     -5.75328125      2.63131726
  H     -3.73196046     -4.21747673      0.27495087
  O     -4.39982633     -3.90165399      0.89701982
  H      1.04760932      0.24841938      2.74505829
  H     -4.40313025     -4.52931102      1.62938802
          69
 Energy    -248.24185445959608     
  O      9.90459306      9.63333392     -8.32716504
  H     10.11850940     10.08455100     -9.15987204
  H     13.88231987     12.07243997    -13.44895911
  O     14.03558210      9.25302776    -16.84943717
  H      8.95685101      9.68359292     -8.23507499
  H     18.34154313     10.35118476    -10.99968423
  O     14.82635127      9.02887838    -14.18463850
  H     13.55454744     10.09302973    -16.73857311
  H     17.07568254     10.10571906    -10.14494605
  O     12.69906057     12.92266507     -7.27211359
  H     14.42894459      9.27017866    -17.71737857
  H     15.83463810      8.06182193    -12.86327724
  O     12.55181167     11.47774148    -16.36198471
  H     14.70250625      9.06968346    -15.13999126
  H     16.69286615      8.49433946    -11.66380918
  O     12.43063041      8.17851065    -13.06697223
  H     13.98927528      8.71801321    -13.80812761
  H     12.40005927     15.41245767    -12.06417518
  O     14.26908706      8.23492184     -7.86353898
  H     12.93048941     13.45983912     -6.51857448
  H     12.22151561     14.21146711    -11.10627365
  O     13.53388428     10.56400091    -10.65284510
  H     13.51785546     12.78414221     -7.78048410
  H     14.62664263      7.68061364    -11.02057244
  O     12.38988918     10.04879594     -7.19414483
  H     11.65041343     11.13739294    -16.29653607
  H     13.89305625      7.78422537     -9.64582826
  O     15.36296602     13.77260342    -11.18536133
  H     12.73224871     11.92554672    -15.52568517
  H     11.64056091     11.21298397    -13.41784161
  O     10.80259748     10.96984326    -10.57120781
  H     11.88160277      8.97183687    -12.99946295
  H     10.50243752     10.43691007    -14.13531328
  O     13.01533704     12.40697157    -13.70779477
  H     12.71570229      7.93402592    -12.17732617
  H     14.27030089     11.65283760     -9.40574748
  O     17.40609477     10.17630989    -11.05858275
  H     14.33227595      7.60446423     -7.15078942
  H     15.09059451     12.94571295     -9.57507437
  O     16.13815154      7.77623428    -11.99171469
  H     13.59226941      8.88530169     -7.60043302
  H     16.15163833     10.95748674    -12.13161206
  O     12.70197857     14.52402509    -11.89372011
  H     14.10736018     10.83579646    -11.37837089
  H     15.24637161     10.49679759    -13.29516773
  O     13.76040436      7.80832848    -10.60155172
  H     13.61560637      9.60279573    -10.58366647
  H     10.59534899      9.22779556    -15.92794368
  O     10.93194996     10.56770407    -13.28165582
  H     11.49327498      9.84630037     -7.49888254
  H      9.28473939      9.91451911    -16.38687952
  O     14.77502341     12.31772841     -8.91087932
  H     12.43958601     11.00752862     -7.12441366
  H     15.91871502     10.89694594     -8.51135842
  O     15.41136322     11.23691849    -12.68959264
  H     14.49982552     14.13549442    -11.42562796
  H     15.73345474      9.37928714     -8.29814382
  O     10.09707093     10.06526836    -15.91207070
  H     15.52688578     13.06041103    -11.81244458
  H     11.01615756     12.71488868    -10.00654939
  O     16.37560599     10.04648566     -8.56871491
  H     11.76196786     10.84568676    -10.50099923
  H     11.73379443     13.44067859     -8.85225473
  O     11.37533466     13.57161702     -9.73750157
  H     10.60150861     10.83520311    -11.50590298
  H     12.53351526      8.18125681    -16.23076557
  O     11.71939264      7.88952580    -15.80192260
  H     12.84413988     13.17946002    -13.15244988
  H     11.93475642      7.77217850    -14.86676978
          69
 Energy    -248.24176692798255     
  O     17.01440385     11.29788544    -15.03758645
  H     16.87523129     11.24341104    -15.99047669
  H     18.84245528      4.96720499    -16.10967055
  O     14.19185559      7.30986059    -16.09522689
  H     16.13840243     11.44122397    -14.65631649
  H     19.23031293      8.18723717    -17.47423171
  O     17.87922279      6.73708771    -11.98940172
  H     14.13785898      6.51532390    -16.63870534
  H     20.01688369      6.88143120    -17.35364566
  O     19.47661703      5.06427055    -17.81913199
  H     15.12552015      7.37010785    -15.83404091
  H     17.37373413      6.58568005    -15.36123185
  O     17.03725837      5.79838514    -18.72388682
  H     18.69133563      6.28243805    -12.24497014
  H     17.13069380      8.00549909    -14.75716013
  O     13.69226363      7.04747152    -13.40164573
  H     17.89814320      7.58632777    -12.44864251
  H     14.59387370     10.55960301    -13.18620847
  O     17.58530339      9.18971366    -13.44025517
  H     18.61018260      5.27394492    -18.21460772
  H     13.91916287     11.93183964    -13.39663338
  O     15.80997716      4.00203782    -15.06373558
  H     19.92790085      4.49105096    -18.43206063
  H     13.44170870      5.74761303    -10.32803531
  O     12.10301844      6.47051216    -11.22567203
  H     16.21291522      5.50264207    -18.32137943
  H     14.04386917      4.77667706     -9.28480615
  O     20.21906102      8.12671476    -14.33541014
  H     17.07458310      6.75967067    -18.61841032
  H     13.90858701      9.12307180    -16.37661623
  O     14.65664300      4.85422060    -17.37020000
  H     13.70267602      7.12998023    -14.36349694
  H     13.96393959     10.43982114    -15.55614547
  O     18.38315820      5.02389467    -15.26094952
  H     14.35409732      6.37924792    -13.16741435
  H     20.30519782      6.58372356    -13.60424623
  O     20.02078476      7.80354863    -17.07245655
  H     17.54648476      9.97128074    -14.01526457
  H     21.05324796      5.41277111    -12.91419922
  O     16.84569012      7.39029521    -15.44264172
  H     16.75194616      9.19262298    -12.94741507
  H     15.17106868      5.09908814    -11.62594042
  O     14.39493906     11.24009766    -13.85007525
  H     15.60089785      4.28114153    -14.16448413
  H     16.38879124      5.69373297    -12.37767139
  O     14.27577821      5.38941612     -9.97762461
  H     16.75080558      4.20402827    -15.16815344
  H     16.75981342      7.33468169    -10.51992619
  O     13.93166576     10.08665255    -16.45323948
  H     12.52826281      6.71815758    -12.06300807
  H     15.41348182      6.95178282     -9.88393722
  O     20.19255882      5.69965827    -13.20475838
  H     11.25996328      6.91544756    -11.21214007
  H     15.30260836     10.66108349    -17.36018633
  O     15.56058918      5.20968876    -12.50220943
  H     20.18786647      8.07902963    -15.30425494
  H     15.93310930     11.62155083    -18.39889463
  O     15.99494021      7.70200951    -10.05778012
  H     19.50053509      8.70012666    -14.05747415
  H     14.55373437      8.45514291    -12.64887114
  O     16.14566346     10.95707199    -17.74931364
  H     14.13514629      4.15241942    -17.75055130
  H     15.33621346      8.78009637    -11.35058931
  O     15.07446679      9.14224303    -12.20920327
  H     15.03358122      4.50481857    -16.54196503
  H     17.21492720      8.12095980    -17.05340610
  O     17.41694831      8.46298681    -17.93794417
  H     19.04697285      5.13796916    -14.57077964
  H     17.01801492      9.33875038    -17.99095660
          69
 Energy    -248.24174563178556     
  O     16.78743123      7.68499085    -14.39364816
  H     16.23867125      8.47829868    -14.26720811
  H     13.73261577     13.28467203    -13.86357931
  O     17.40960459     11.12119576    -11.60774405
  H     16.69220381      7.44873865    -15.32299328
  H     14.97182540      9.99012254    -13.04207866
  O     15.34394901     12.59291335    -14.43701535
  H     17.58318152     11.93530899    -12.09294115
  H     14.35163830      9.71550539    -14.44775694
  O     13.51346771      7.34328034    -16.03257665
  H     17.81147874     10.41215327    -12.13287885
  H     11.94769408      9.10261775    -12.28073246
  O     16.31501559      7.72098152     -8.42848505
  H     15.38984886     11.63875314    -14.27604326
  H     12.72362820      8.14960532    -11.33921218
  O     15.42787599      6.30746540    -12.41298525
  H     16.19231424     12.95441472    -14.15433779
  H     20.43874781      7.11294875    -10.74609019
  O     14.68186630     10.56805250    -11.36124016
  H     13.11346086      8.21365122    -15.90004972
  H     18.89855599      6.96896937    -10.80128061
  O     16.74355373     10.23139913    -17.00638092
  H     13.29918357      6.83337250    -15.24254769
  H     12.49948933      6.82890666    -13.06735827
  O     17.46070140      6.03615249    -10.46438577
  H     16.34135355      7.69363663     -7.47615996
  H     12.21139541      5.37179891    -13.49563541
  O     16.01119549      7.44162859    -17.06613198
  H     16.94327060      8.41087038     -8.70923381
  H     18.55447190     13.88395535    -13.55396800
  O     18.59551984     11.13622948    -15.09675944
  H     14.57924222      6.07394787    -12.80874402
  H     18.21482238     12.48979671    -14.14057124
  O     12.82224232     13.52780656    -13.63353728
  H     15.94743903      6.72841883    -13.11297979
  H     19.15274357      8.60190172    -12.40911280
  O     15.18419951      9.82458197    -13.97059362
  H     15.60855152     10.84260890    -11.33222270
  H     18.11714298      8.53037875    -13.56249345
  O     12.06471754      8.17486170    -12.04625030
  H     14.61567534      9.70466757    -10.92760499
  H     18.76752084      8.92504493     -9.84717940
  O     19.63558684      7.59395136    -10.92552421
  H     16.51930534      9.29688168    -17.09146636
  H     17.89751232     10.18375635    -10.02853906
  O     12.85594054      6.07143452    -13.56576638
  H     15.91121925     10.70963034    -17.08049110
  H     14.67689959     12.25397401    -16.08039656
  O     17.90439345     13.18808505    -13.53096505
  H     17.04258929      6.45203262     -9.70031308
  H     14.03951643     12.53216228    -17.45983842
  O     18.71372356      9.12803660    -13.08793586
  H     16.77677438      5.97233579    -11.14386334
  H     14.78039382      7.42652432    -11.11324401
  O     18.13033864      9.49325758     -9.39547355
  H     15.09173246      7.37841626    -16.74861259
  H     14.93580511      7.88753389     -9.64110107
  O     14.27461450     11.83078756    -16.85692528
  H     16.08712323      6.85171806    -17.81076846
  H     13.06051771     10.88787826    -12.19463036
  O     14.39517845      7.99794119    -10.43286362
  H     18.77680246     10.39753079    -14.50266305
  H     12.25246724     11.88568854    -13.03010767
  O     12.28198131     10.95547745    -12.76700314
  H     17.99740277     10.81119427    -15.78480189
  H     12.44587278     10.33506010    -14.54302792
  O     12.75302296      9.93699423    -15.36897568
  H     12.87374545     14.39024438    -13.22797422
  H     13.10823728     10.63663552    -15.93272444
          69
 Energy    -248.24162570556970     
  O     11.53371509      9.02540873    -12.79265093
  H     10.64089868      8.77687319    -12.56830122
  H     16.78895254      6.71657987    -16.21037975
  O     17.39383728      8.49306119    -13.99059204
  H     11.61591825      9.98038923    -12.61001036
  H     18.24903194     11.90491558    -15.24254283
  O     17.12368901     11.64167642    -10.87749367
  H     16.62914878      9.07206382    -14.13562377
  H     19.59994303     12.64725435    -15.14061565
  O     15.04872110     13.39828695    -15.15088134
  H     17.61658048      8.08546706    -14.83906193
  H     13.40695798     12.85642675    -15.12957362
  O     15.14663779      5.98241893    -15.35478795
  H     17.74896301     11.16510252    -11.44282551
  H     11.97725304     13.16339405    -15.62626233
  O     15.49689125      8.01031650     -9.10508247
  H     17.17265070     11.22709057    -10.00731837
  H     15.05745110     10.55547751    -13.44169912
  O     15.81007969      6.67137202    -12.73182897
  H     15.57096208     13.54327520    -14.34813013
  H     14.40163586      9.90207734    -14.68717838
  O     14.59697937     10.97032648    -11.73916660
  H     15.62388862     12.89214234    -15.73550803
  H     19.05990157      9.05941918    -11.08350248
  O     16.34969384      9.30302400    -18.04885532
  H     14.91214446      5.05977222    -15.42689836
  H     18.45624313      9.03460137     -9.66655332
  O     17.33499484      6.23522464    -10.41419950
  H     15.31552838      6.14848391    -14.41398489
  H     17.65188047     13.19685092    -13.53738425
  O     16.80758263     11.38997543    -16.18912761
  H     16.06679749      7.30311264     -9.43221105
  H     16.90882971     13.05598554    -12.20360545
  O     17.55997813      7.25528390    -16.42676711
  H     14.81232177      8.11887612     -9.77798307
  H     18.41741677      9.56693217    -13.04355811
  O     18.93202627     12.20735335    -14.62049650
  H     16.26897768      6.35009620    -11.94577186
  H     19.09147959     10.93995524    -13.20402884
  O     12.49269014     12.52011830    -15.14708698
  H     16.41400772      7.31597059    -13.13492578
  H     17.26784731     10.21058121     -7.63427610
  O     15.24862688     10.13884697    -14.29255567
  H     15.44817364     11.23733585    -11.36930109
  H     16.54826245      9.35614352     -8.70475021
  O     18.87258496      8.47767031    -10.33632702
  H     14.44161709     10.04426841    -11.50597573
  H     14.39527873      7.36221419    -16.44031515
  O     16.87911548     13.51156215    -13.05266694
  H     16.30706008      9.28525154    -19.00143155
  H     13.51830454      8.63461925    -16.51093827
  O     18.89336780     10.25616117    -12.55358249
  H     15.51882019      8.90916386    -17.72522224
  H     14.47325772      7.71388016    -11.95054295
  O     17.23143917     10.03720787     -8.57098023
  H     17.83186958      5.50420779    -10.05675371
  H     13.06896781      8.39642315    -11.87245142
  O     14.15494201      8.10409094    -17.00863486
  H     17.94139969      6.99789132    -10.43934027
  H     12.10720550     12.08904249    -13.32582555
  O     13.90891652      8.28484668    -11.41144309
  H     16.74018267     10.76211859    -16.91774624
  H     12.91756939     11.58938564    -12.11279809
  O     12.01780431     11.66176637    -12.46538680
  H     16.24465893     11.03119183    -15.48446752
  H     12.53204334     10.67115073    -15.33536463
  O     12.66410200      9.71323125    -15.30324738
  H     17.25549327      7.91847553    -17.05922525
  H     12.21235957      9.38786478    -14.51452552
          69
 Ord_Energy   -248.241272    
 O  -0.474109590       4.60719824       4.50231171    
 H   -1.39986062       4.86988592       4.41538143    
 H  -0.114340827       4.65307522       3.60912776    
 O   -3.77297068     -0.825427294       5.70665598    
 H   -3.18905115      -1.13904095       5.00647879    
 H   -3.40563822       2.65742708E-02   5.98079252    
 O   -2.84258437       1.82396996       6.03306532    
 H   -2.88785958       1.93084538       5.06941223    
 H   -1.92575717       2.00785828       6.26540709    
 O   -8.83146858      0.946267784       4.90596104    
 H   -9.41693974      0.196551815       4.97823572    
 H   -7.92549610      0.596592367       4.94691610    
 O   -3.61239362      -1.10101736       1.27885377    
 H   -3.27949071     -0.337111145      0.768645883    
 H   -3.92395735      -1.74073267      0.644568264    
 O  -0.697134495       1.95954680       1.69203222    
 H  -0.276344031       1.45461655       2.40508676    
 H  -0.300816804       2.83696437       1.66498220    
 O   -6.33083344       3.28531981       1.91832542    
 H   -7.27199221       3.25429130       2.14502597    
 H   -5.98997927       2.38912201       2.05618262    
 O   -9.95569527E-02   2.39546180       6.05246687    
 H  -0.191694617       3.20662308       5.52144051    
 H   0.580370307       2.56663418       6.69853687    
 O   -5.24087715      0.832544804       2.53446507    
 H   -4.82028723       7.61054531E-02   2.11095643    
 H   -5.59124327      0.552426934       3.39117789    
 O   -2.73055673       1.07901776       3.68207619E-02
 H   -1.91090047       1.34722126      0.474607080    
 H   -3.27242613       1.87863576      -2.58104801E-02
 O   -8.84468365       3.16420269       3.04366922    
 H   -8.86534595       3.91666698       3.64734316    
 H   -8.90660763       2.38017440       3.60307622    
 O   -5.46181393       2.77893949       6.16446590    
 H   -4.52979422       2.55420470       6.28537846    
 H   -5.51249409       3.48130965       5.50165844    
 O   -8.21163559       3.08736181       6.71917772    
 H   -7.25168419       2.97369981       6.75326395    
 H   -8.54612255       2.33103657       6.22091913    
 O   -6.17114687      0.313676775       5.09696293    
 H   -5.97589207       1.18459105       5.47511578    
 H   -5.43196869     -0.258349687       5.35121250    
 O   -2.44660997       5.67847204       1.18382931    
 H   -2.75320721       5.52017403       2.09408998    
 H   -2.80059743       6.52302408      0.915384412    
 O   -5.84672499       4.78004599       4.21423388    
 H   -6.71490908       5.09087658       4.49661207    
 H   -5.98008633       4.28664017       3.39008689    
 O   -3.16611505       4.97269392       3.71055102    
 H   -3.08921480       4.01647329       3.55771828    
 H   -4.08125210       5.11900282       3.98218036    
 O   -8.49968719       5.21571159       5.05629063    
 H   -9.06436729       5.90043068       5.40337515    
 H   -8.46068573       4.51315117       5.73009968    
 O   -2.01284456      -1.48794615       3.55051374    
 H   -2.54294395      -1.35451114       2.74974227    
 H   -1.60993481      -2.35024047       3.46513891    
 O   -4.12890291       3.48897767      0.126234546    
 H   -3.57424474       4.22091293      0.413088888    
 H   -4.93898964       3.53902626      0.650642514    
 O    6.61447197E-02  0.516194820       3.86851072    
 H    5.52931009E-03   1.04886019       4.67070341    
 H  -0.643697560     -0.136566058       3.89980483    
 O   0.103925563       4.67779922       1.67471194    
 H  -0.745203853       5.06239176       1.40306020    
 H   0.778289914       5.09515667       1.14404094    
 O   -2.97523284       2.27138686       3.31903362    
 H   -2.22338414       2.12660384       2.73119521    
 H   -3.73637009       1.80035114       2.95853925    
          69
 Energy    -248.24124945372103     
  O     17.19071975      5.23289539    -12.91506080
  H     16.38904440      4.69721959    -12.94189403
  H     19.31813543      8.53027066    -13.74820784
  O     12.59267164     10.41368850    -11.53312541
  H     17.49176611      5.38735999    -13.82462530
  H     15.44066625     10.45945451    -14.93393838
  O     15.08743168     11.78073434    -12.10355830
  H     13.39004961     10.94361952    -11.64939120
  H     14.80800407     11.45308193    -13.93427022
  O     12.02944543      7.75494532    -16.29743706
  H     12.27010296     10.23999613    -12.42665496
  H     14.96568382      7.59892411    -12.81155827
  O     16.72739659      6.35462309     -9.11627394
  H     15.69099801     11.11059383    -11.74127988
  H     16.35505157      6.88207902    -12.77178327
  O     13.69929876      5.69707744    -14.99432143
  H     15.33630246     12.61364539    -11.70999519
  H     13.89640711      6.11346714    -10.35522435
  O     12.31660207      9.63353580    -14.27613228
  H     12.57626450      7.98502034    -17.05855090
  H     14.40009805      4.95991510    -11.25994103
  O     13.87843234     11.11706868    -17.45692823
  H     12.38340277      6.92105966    -15.96918881
  H     19.58613826      5.35904941    -10.80230104
  O     17.98130193      5.99202862    -15.40500394
  H     15.99784126      5.88129591     -9.54555730
  H     18.32172420      5.64422023    -11.64684311
  O     16.66961000      9.19158855    -14.96616430
  H     17.50821963      6.22446307     -9.66429932
  H     14.28851515      4.52441675    -13.77713300
  O     15.60729286      7.13429059    -16.51294945
  H     14.39148032      6.14206715    -15.50334983
  H     14.32385608      3.14778497    -13.07793285
  O     19.34572842      8.45973725    -14.71947780
  H     13.46196160      6.28238932    -14.25584443
  H     16.34706269      9.51364422    -10.19335232
  O     14.70197092     11.07673083    -14.81598586
  H     12.08632847      9.06555970    -15.02660477
  H     16.37873775      9.01823435    -11.65787119
  O     15.92064060      7.74264651    -12.79328556
  H     13.10547293     10.13084692    -14.52809569
  H     18.41559541      9.14239010    -11.62268605
  O     14.48268429      5.34900637    -10.38303738
  H     13.24891213     11.82152765    -17.59363181
  H     19.12189488      7.77051517    -11.57575284
  O     18.89694505      6.00247131    -10.94808568
  H     14.18590253     11.21165732    -16.54182884
  H     15.54409716      8.94137051     -7.77326336
  O     14.65566731      4.04044970    -13.01902807
  H     18.51316816      6.78458613    -15.25984265
  H     16.04490828      7.87739175     -8.78180846
  O     16.64398315      9.75266090    -11.08120381
  H     17.22163271      6.26426481    -15.93565812
  H     13.83421537      8.49008696    -19.26696067
  O     19.13446478      8.63173714    -12.01319982
  H     17.62959007      9.11221951    -15.01244841
  H     13.93465053      9.45478249    -18.06246271
  O     15.59190335      8.73824130     -8.70308652
  H     16.39978634      8.69010195    -14.17931251
  H     12.93799515      8.89651518    -10.58884872
  O     13.92233411      8.51633701    -18.31758446
  H     15.09064855      7.51344244    -17.23402763
  H     14.02128262      8.27045353     -9.68864267
  O     13.27438258      8.04852973    -10.25723362
  H     15.95810257      7.88912532    -16.01859694
  H     12.85048310      8.18613868    -13.36277293
  O     13.19357984      7.39715199    -12.91896710
  H     20.20645163      8.76542348    -14.99224854
  H     13.12140458      7.55103205    -11.96738513
          69
 Energy    -248.24123637568016     
  O     16.22652661      9.20367326    -12.07977309
  H     16.49721647     10.12726992    -11.99308087
  H     13.00309970      9.75413193     -9.44203642
  O     14.90842672      5.17759114     -6.83492498
  H     17.00786305      8.63175157    -12.05962835
  H     12.59090261      9.23125359     -5.51573897
  O     16.90550818     11.84187891    -11.59836665
  H     15.16539636      5.33305606     -7.76043530
  H     13.86962918      8.55699826     -6.07017997
  O     12.41583694      6.36940091     -7.52420836
  H     15.23983320      4.31542498     -6.59800041
  H     17.61875504      3.94846174    -12.23430276
  O     13.85456682      8.30606501    -13.00991518
  H     17.73434899     11.69164737    -11.10603414
  H     18.64810746      2.80734315    -12.29434478
  O     18.28009583      7.41357579    -11.79908407
  H     17.03760918     12.62038628    -12.13236550
  H     15.06417846      5.68106314    -10.21058961
  O     20.40594454      8.84735060    -10.58552736
  H     12.48481132      7.24580528     -7.12727360
  H     15.59817337      6.81439151     -9.31519927
  O     18.25373041      5.40420575     -9.81974433
  H     13.17999107      5.87485103     -7.20329802
  H     17.04074660     11.78151721     -7.99720934
  O     11.78402271      6.02289818    -10.13122375
  H     13.77187482      8.47642871    -13.94452410
  H     18.03051517     12.29756210     -6.92471423
  O     15.63061709     12.04253035     -8.99061149
  H     14.71195954      8.67127999    -12.72983042
  H     15.93769354      8.79736145    -10.30652692
  O     12.20675587      8.81004597    -10.72908534
  H     19.05371775      7.94342596    -11.56969829
  H     14.97128315      9.08316057     -9.12780975
  O     13.56912503     10.14522275     -8.75863363
  H     18.24616317      6.71879895    -11.12585989
  H     19.56907054     10.48011321    -10.24776724
  O     12.99036339      8.89948514     -6.31534576
  H     20.20282954      8.33432126     -9.78104550
  H     18.82718056     11.35336996     -9.19342952
  O     18.19348443      3.38581295    -11.68814001
  H     21.34409175      8.76523012    -10.73451554
  H     15.33038370      6.86242042     -6.03301744
  O     15.54924291      5.84886753     -9.39387420
  H     18.35563831      4.61980159    -10.37719114
  H     16.20166021      8.13450105     -6.18746072
  O     17.87998919     11.58625088     -7.54128839
  H     17.31241878      5.47519456     -9.60984535
  H     13.25389700      5.72494019    -11.24642397
  O     15.73960671      8.56005489     -9.39323845
  H     10.92721682      5.60548896    -10.16694610
  H     13.99873744      6.62689601    -12.24036053
  O     19.07678554     11.30105081    -10.12415845
  H     12.00512024      6.12145136     -9.18790898
  H     18.98338810      7.83996559     -7.93791818
  O     15.39465948      7.79187040     -5.78144824
  H     15.89857420     12.01843773     -9.91616421
  H     19.25024338      6.59463637     -8.82061250
  O     14.06968668      5.78957855    -11.76170754
  H     14.84638992     11.48251036     -8.91178785
  H     16.94433665      8.71976134     -8.07838045
  O     19.66527612      7.38692841     -8.45149039
  H     12.69380327      8.75044154    -11.55985821
  H     17.72006282      9.76050343     -7.24545874
  O     17.52643601      8.81686081     -7.30890168
  H     11.97110346      7.90131122    -10.50741676
  H     15.75046432      5.37697866    -12.62490582
  O     16.63882878      5.26468129    -12.98509985
  H     13.28479632      9.79958399     -7.90302605
  H     17.13198557      6.06622037    -12.77559836
          69
 Energy    -248.24116146555076     
  O     17.86726578     10.41016141    -17.97787605
  H     18.05462298      9.71576994    -18.62073661
  H     20.60368329     10.47799450    -15.91315751
  O     14.89748049      5.88079153    -13.56803868
  H     17.52438185      9.94403593    -17.19941589
  H     15.95734700      9.40475104    -15.60032641
  O     17.18367051     13.13656084    -12.09344426
  H     15.80808480      5.83789406    -13.22104765
  H     17.43757752      9.32358138    -15.10386401
  O     15.59299156      7.40703581    -18.65622443
  H     14.43183385      5.12476815    -13.22101853
  H     16.28770753     11.41238353    -18.12408122
  O     14.41817419     10.94711693    -11.32414298
  H     16.25824761     13.33565840    -12.28078553
  H     15.34634568     12.19185915    -17.17430646
  O     14.67507554      8.61962924    -12.89796675
  H     17.61228942     13.06274430    -12.95582215
  H     16.39775103      8.64493703    -12.19385869
  O     18.05759693     12.50306633    -14.70271748
  H     15.66503311      6.91205151    -17.82886958
  H     17.31622166      9.37831170    -11.19167222
  O     14.26467093      9.96719996    -15.27585033
  H     14.96245217      8.11716656    -18.48726270
  H     14.33267908     10.38614878    -18.13031855
  O     18.65562521      5.61704645    -15.39726517
  H     14.37083086     10.10066409    -11.78708487
  H     13.00129773      9.71853250    -18.55146400
  O     16.10723711      6.42280429    -16.07692838
  H     15.26294894     10.94475999    -10.85730921
  H     17.46538967     11.32019988     -9.51139715
  O     17.47847025      5.98835496    -12.76520316
  H     14.45767809      9.08058456    -13.72145732
  H     17.23581602     11.78556077    -10.96714720
  O     20.71687577      9.66295769    -15.41206510
  H     14.60173475      7.67577728    -13.08204309
  H     19.38655716      9.74119673    -14.24960233
  O     16.83079155      9.04746224    -15.80493667
  H     18.19560911     11.61744040    -14.32750901
  H     18.30862518      9.43342977    -13.10551899
  O     15.39193076     11.76632538    -18.04027320
  H     18.68887076     12.57180961    -15.42694981
  H     14.31050235     12.42494391    -12.25423789
  O     17.28356681      8.62999746    -11.80150191
  H     13.94657967      9.77243302    -16.16637051
  H     13.70621487     13.83925550    -12.42099393
  O     13.79168218      9.58090868    -18.03546048
  H     14.56013919     10.89014313    -15.26624926
  H     19.55074594      6.89979083    -16.50474666
  O     17.12376320     11.03633484    -10.35520051
  H     18.84533001      4.70263356    -15.59778534
  H     19.35066672      7.66377593    -17.83338951
  O     18.51867249      9.96654574    -13.87901009
  H     17.75279154      5.79039721    -15.71197653
  H     16.29540057     12.53604360    -15.13234008
  O     14.38256441     13.25681934    -12.75603236
  H     15.56026978      6.21320698    -15.31069127
  H     14.92955391     12.87943127    -14.49126387
  O     19.93371696      7.58056990    -17.07106064
  H     16.39436242      7.34681125    -15.98005520
  H     19.14940079     11.48179590    -17.34881315
  O     15.33960829     12.52041826    -15.28858407
  H     17.59481181      6.85447023    -12.35149725
  H     20.26002658     12.53475653    -17.56342426
  O     19.80498790     12.03476938    -16.89058732
  H     18.06073377      5.95105386    -13.53262100
  H     17.23549440      7.76485621    -19.15906793
  O     18.15827588      8.00386381    -19.35740028
  H     20.52815385      8.93726644    -16.02692054
  H     18.34819014      7.66349116    -20.22741622
          69
 Ord_Energy   -248.241104    
 O   -4.66138792     -0.823064089       2.15235901    
 H   -5.38316011     -0.315740407       2.54752374    
 H   -4.93094969      -1.09522724       1.26688337    
 O   -3.93540049       3.52518201       2.75306916    
 H   -3.30566216       3.27729440       2.06474829    
 H   -3.57885647       3.14818668       3.56734920    
 O   -5.43057585      -1.77779830     -0.402747095    
 H   -5.32109070      -2.70394659     -0.134490430    
 H   -4.69486523      -1.54233837     -0.979753435    
 O   -5.23844957       1.07509458       5.88507366    
 H   -5.44895506       1.59846103       6.65457678    
 H   -4.40152740       1.42041659       5.52971506    
 O   -7.89272881     -0.673165023     -0.268244147    
 H   -7.02713823      -1.10467052     -0.389594138    
 H   -8.42052460     -0.896734715      -1.03076720    
 O   -4.71849442      -2.94699287       3.97448564    
 H   -5.49549437      -3.45866442       3.72340798    
 H   -4.65003967      -2.23472190       3.32220745    
 O   -2.03203535       2.42543221      0.950080752    
 H   -1.30138862       2.89396477      0.556780577    
 H   -2.62594366       2.15847707      0.222943813    
 O   -3.69744921       1.61403811     -0.956556141    
 H   -3.53464460      0.750316679      -1.35075295    
 H   -4.64433146       1.66584074     -0.757878304    
 O   -3.78271556      -1.39697850       6.08597231    
 H   -4.22334099      -2.00211477       5.47272635    
 H   -4.34387589     -0.616013110       6.13446522    
 O   -8.04245567      -1.64274096       2.39594555    
 H   -8.12227058      -1.32001877       1.48955274    
 H   -7.68698597     -0.901671231       2.90321851    
 O   -2.27383590      -4.35343838       1.26298523    
 H   -2.13235927      -4.19055557       2.21302772    
 H   -1.75697410      -5.12280035       1.03773892    
 O   -6.94807911      -4.10359526       2.77318835    
 H   -7.37893534      -3.24044728       2.63587117    
 H   -7.63554478      -4.71730852       3.01669502    
 O   -1.30149138      -1.19100571       4.91060495    
 H   -1.49316907     -0.781719446       4.05610704    
 H   -2.14630437      -1.25663352       5.38874674    
 O  -0.669708848       1.16793585       6.25212145    
 H  -0.735290170      0.282652229       5.85836315    
 H  -0.134389788       1.06883967       7.03479004    
 O   -6.65964460      0.555361629       3.51495290    
 H   -6.26230431      0.686006486       4.38545609    
 H   -6.72773123       1.42852640       3.10566568    
 O   -6.56239986       3.06842780       2.30224323    
 H   -5.62288475       3.27703428       2.45407891    
 H   -7.04420662       3.88655734       2.38912749    
 O   -5.06800652      -4.26225185      0.591786265    
 H   -4.15828514      -4.35707283      0.900330186    
 H   -5.64844322      -4.32979298       1.35971904    
 O   -3.13348961      -1.03897238      -1.80937636    
 H   -2.55271459      -1.28436303      -1.06602609    
 H   -2.70621705      -1.33830285      -2.60694337    
 O   -2.86724424       1.89005303       4.77229548    
 H   -2.67814493       1.30003893       4.03132963    
 H   -2.11072087       1.80820537       5.37064838    
 O   -6.35436296       1.75233316     -0.223098636    
 H   -6.96996069       1.01093638     -0.218684897    
 H   -6.49089146       2.22718120      0.605063975    
 O   -2.17489219      0.162535623       2.56595659    
 H   -3.07029057     -0.174648136       2.39479160    
 H   -2.03457594      0.933064640       1.99797308    
 O   -1.68155408      -1.73507631      0.359241754    
 H   -1.85599494      -2.63403583      0.668509066    
 H   -1.68856382      -1.16727579       1.13564479    
 O   -2.05059528      -3.75731683       3.86776400    
 H   -1.59714425      -3.00934744       4.27217960    
 H   -2.99566698      -3.59024405       3.99816346    
          69
 Energy    -248.24110079695527     
  O     12.19490999     11.25036965    -15.00398714
  H     11.86906428     10.93495435    -14.15214616
  H     15.43543184      6.31968817    -16.76127436
  O     15.36663893      6.40003318    -13.57259891
  H     12.91448421     11.86681136    -14.82583542
  H     16.80870636     12.76753546    -17.24002550
  O     17.32996802      9.83892108    -11.37745406
  H     14.73804165      6.49128680    -12.84326823
  H     17.16513347     11.83251871    -16.06108190
  O     18.43688130     11.08991970    -15.21075659
  H     16.23497149      6.64932385    -13.23132763
  H     15.08416129      8.06144447    -14.28768881
  O     12.19390241      6.69850480    -16.05603613
  H     16.67243065     10.32551078    -11.89685557
  H     14.48721739      9.05990692    -15.33164734
  O     15.65145794      9.01379597     -9.35263288
  H     16.88149034      9.56819564    -10.56405926
  H     11.23353298      9.11288685    -12.93945557
  O     13.62413248      6.93502875    -11.50589752
  H     18.37612415     10.13039587    -15.30145787
  H     10.23598963     10.15688069    -12.38417828
  O     15.26927383     10.95844132    -12.82016178
  H     18.79382240     11.25556606    -14.32808095
  H     18.32083663      4.86749532    -10.82811484
  O     16.74364192      7.34355833    -17.73982637
  H     11.61819812      6.13210154    -16.56308456
  H     17.85631280      6.21236859    -11.40715262
  O     15.34156316      6.13940380     -9.41938336
  H     13.09633929      6.34629085    -16.15981974
  H     12.19560439      7.08849419    -12.76759378
  O     17.76843678      8.36904180    -15.33259493
  H     14.82842522      9.31479475     -9.76002236
  H     11.77840634      7.15428883    -14.26487980
  O     14.75990801      5.87131555    -16.23962131
  H     15.56624525      8.05753218     -9.26382994
  H     20.11466412     11.44343006    -12.03758085
  O     16.42273778     12.20337862    -16.57422794
  H     13.60076513      7.89335323    -11.36583898
  H     18.71441400     10.81404483    -12.05029318
  O     15.14386747      8.96242588    -14.63146327
  H     14.09970723      6.56215000    -10.75340095
  H     17.69705097      8.27535951    -12.22516825
  O     11.14962866     10.03314739    -12.62804494
  H     15.06635629     11.76587655    -13.30257543
  H     18.02925266      7.68863553    -13.62300822
  O     17.69353031      5.57356795    -10.69472767
  H     15.22088587     10.23975934    -13.47245026
  H     14.64015367      9.63010463    -17.61811123
  O     11.55487684      7.46949183    -13.38124107
  H     17.07482750      7.07167202    -18.59145887
  H     15.84966173     10.57790720    -17.50823739
  O     19.34041847     11.32885427    -12.58276916
  H     16.33141380      8.21766289    -17.86650869
  H     12.62232217      9.88675721    -11.47221218
  O     17.84677599      7.44758714    -12.70537520
  H     15.25698207      5.59453582     -8.64114806
  H     14.11673614     10.20097496    -11.65202641
  O     15.54323143      9.77333480    -17.93920803
  H     16.18274374      5.89606833     -9.84268743
  H     15.16321293     12.68731274    -15.36993186
  O     13.49388707      9.70701470    -11.09904893
  H     16.88205831      8.68904355    -15.10029980
  H     14.51972436     13.88867280    -14.64334985
  O     14.52999537     12.93507205    -14.67645676
  H     17.64994485      7.91392909    -16.17413694
  H     12.70526872      8.45229272    -16.48760115
  O     13.17894991      9.28309875    -16.60881679
  H     15.05353680      5.90068021    -15.31774723
  H     12.72180877      9.97659446    -16.10801989
          69
 Energy    -248.24106265985770     
  O     13.10351595     11.63835070    -14.33768846
  H     13.04010153     10.86559366    -14.91884827
  H     19.17664111      6.73708837    -14.70034815
  O     15.38459801      6.85476632    -12.94968978
  H     13.80628736     12.18351144    -14.70625265
  H     15.72631682     10.43849891    -17.72854846
  O     18.33338141     10.32665537    -11.78754157
  H     14.71517294      7.26310445    -12.38254798
  H     17.02527958     10.64355934    -16.93122907
  O     18.05737723      9.49875071    -15.84716165
  H     16.24147278      6.97448654    -12.51677769
  H     14.87765593      9.27487006    -14.95001373
  O     12.24242163      6.99826422    -15.02440314
  H     18.07765056     10.50327071    -10.87405222
  H     15.62218879      8.36449374    -13.93809256
  O     15.16088082     11.94938743    -10.84429824
  H     17.71541647     10.82626581    -12.34383207
  H     11.84045084     10.99044825    -11.56321896
  O     13.66097830      8.20283947    -11.24019098
  H     17.23309045      9.35967217    -15.35284553
  H     12.87736161     11.12549003    -12.69845773
  O     16.42830222     11.57330582    -13.31718682
  H     18.74612662      9.71245467    -15.20661291
  H     16.59933026      7.79635884    -10.22347716
  O     15.78960342      6.68462113    -17.21561246
  H     12.93667302      6.33434632    -15.10536769
  H     16.29586458      9.07460683     -9.42766931
  O     18.55309305      6.89851090    -16.55698183
  H     11.90318289      6.92089900    -14.12176508
  H     12.24059800      7.25452372    -11.84632192
  O     14.57323440      5.32515086    -15.05386454
  H     15.58652055     11.94863293    -11.71281286
  H     11.07275303      6.27294750    -11.67217405
  O     19.50812780      6.92753468    -13.81528624
  H     14.26971735     11.61869112    -11.00728088
  H     20.87303903     10.25188002    -13.78468706
  O     16.28151188     11.11747192    -17.32587346
  H     13.39996010      9.11152427    -11.43693373
  H     19.53932668      9.99799543    -13.04842125
  O     15.69649831      9.18094308    -14.44511031
  H     14.37611274      8.23016383    -10.58721023
  H     17.91887242      8.47340092    -11.76123233
  O     12.75236750     10.81705551    -11.78312888
  H     16.20440840     12.20842776    -14.00687704
  H     18.40315619      7.15322108    -12.39593587
  O     15.92665632      8.21791802     -9.67435213
  H     16.08171760     10.72242060    -13.62860096
  H     17.23175317     11.30862132     -8.52003217
  O     11.53279204      6.79514151    -12.32449805
  H     16.73055582      6.64459995    -17.00880469
  H     16.34507435     11.26813530     -9.79015398
  O     20.05236733      9.76904194    -13.84177220
  H     15.34132929      6.18175362    -16.52412485
  H     14.35768976      8.72446113    -19.12792627
  O     17.77320226      7.51855641    -11.75758550
  H     19.20528470      6.83097866    -17.25099127
  H     15.09702292      8.11065220    -17.91607828
  O     17.07139907     10.81695852     -9.32047859
  H     18.40943965      7.84794439    -16.39953504
  H     15.41793586     13.82423621    -15.91871966
  O     14.69690822      8.92965823    -18.26083040
  H     14.60154737      4.39926225    -14.82644786
  H     15.68874245     12.33031193    -16.20700684
  O     15.40455325     12.95870103    -15.51953266
  H     14.88635549      5.81418187    -14.27309647
  H     12.84641244      8.53925391    -15.59183251
  O     13.30075671      9.35454830    -15.85701352
  H     19.84694926      7.83085820    -13.85578809
  H     13.63746115      9.23403561    -16.75196808
          69
 Energy    -248.24099950033980     
  O      1.05509133     -0.20383820      2.64587891
  H      1.16361396      0.73078177      2.86157885
  H     -2.77820863      4.56070003      0.57059087
  O     -3.45569560     -0.01643827     -3.34930748
  H      1.38168091     -0.36319235      1.74708147
  H     -2.42826838      0.19807555      5.26707195
  O     -0.03781263     -1.83684073      4.65787516
  H     -2.55025846      0.19899510     -3.07007068
  H     -2.21309348      0.04826078      6.77821727
  O     -4.65091113     -0.03848749     -0.75588648
  H     -3.56079167      0.33266007     -4.23091827
  H     -0.27889179      3.66669967      0.65590040
  O     -2.88047737     -2.76477554     -2.59562740
  H      0.45860706     -1.32087210      4.00964078
  H      0.85283481      3.06801362      1.50300563
  O     -0.55367166     -2.13626128     -1.21984679
  H     -0.55934566     -1.20781695      5.17531235
  H     -1.87039095      1.20163433     -0.88752935
  O     -1.78101189      2.84885023      3.52774176
  H     -4.50688507     -0.96612246     -0.51339388
  H     -3.28399747      1.00448298     -0.28565343
  O     -4.03629009     -2.46978471      4.01766735
  H     -4.44788257      0.02410829     -1.69720982
  H     -1.76251828      0.42112025      1.16472768
  O      0.91865345      2.52226219      3.31027374
  H     -3.44593665     -2.89378902     -1.82217165
  H     -0.65566413     -0.16157928      2.12305537
  O     -0.95065412      0.41842295     -2.23272691
  H     -3.17355142     -1.93747338     -2.99378741
  H     -4.91086546     -2.81147026      0.60644242
  O     -3.43383306      0.42215003      3.73214132
  H     -0.84060971     -2.44963742     -0.35087008
  H     -3.38112912     -2.82491787      0.37525341
  O     -2.15644525      3.93533203      0.93301758
  H     -1.22951393     -2.46597382     -1.83069574
  H      1.63212772      0.15282629     -0.54152784
  O     -1.77261742     -0.04618933      5.93656675
  H     -2.43598827      2.15526715      3.65587610
  H      1.02142918     -1.26044395     -0.45852208
  O      0.61415750      3.30697485      0.59877297
  H     -2.01401953      3.29947924      2.70532988
  H      1.11476744      2.36418445     -0.76707606
  O     -2.44995978      1.48041680     -0.16645601
  H     -3.78933768     -1.54105634      4.07300190
  H      2.09522452      2.21632849     -1.95535772
  O     -1.58622281     -0.21681535      1.86637291
  H     -3.21333640     -2.97445867      3.99974551
  H     -1.28024933     -4.68198461      4.18304112
  O     -4.23223578     -2.70319419     -0.07115329
  H      1.36255393      2.93854003      4.04460875
  H     -0.96611614     -3.16664978      4.12807970
  O      1.61268885     -0.64784331     -0.00456838
  H     -0.03697967      2.61306494      3.47451173
  H     -1.65105890     -3.34952271      2.00037011
  O      1.36235791      1.79304477     -1.51625183
  H     -0.13325798      0.92384702     -2.13850026
  H     -1.74405091     -1.90933183      1.44727010
  O     -1.56418529     -3.86061251      3.79249896
  H     -0.78455759     -0.46667961     -1.87244302
  H     -6.71923250     -3.17580581      2.47186299
  O     -1.76445170     -2.84426263      1.18767735
  H     -4.25391676      0.45410504      3.21913277
  H     -5.30035648     -2.68416488      2.84868656
  O     -5.97521401     -2.67732745      2.14550087
  H     -2.73895406      0.15575029      3.10680657
  H     -5.37939830      0.27717128      1.03559527
  O     -5.55984159      0.16772839      1.97655069
  H     -2.33247622      3.07858500      0.50489466
  H     -5.85091312     -0.74876732      2.06595649
          69
 Energy    -248.24099052568761     
  O     17.17447324      9.77264666    -15.56379522
  H     17.25838352     10.04077107    -14.63325116
  H     17.43684164      7.31876949    -10.40039872
  O     15.98629256      6.38930768    -11.32446531
  H     17.42262749     10.52659868    -16.09281800
  H     13.61750378      8.32335956     -8.51086151
  O     11.76091410      8.21308003    -12.30427064
  H     15.05982957      6.22741611    -11.09555741
  H     13.07010250      7.34531914     -7.44486906
  O     12.62941760     11.67983193     -9.55157255
  H     16.06934945      6.21693629    -12.27333936
  H     13.50427496     12.23386663    -11.14108379
  O     19.61796219      8.45612515    -12.51035144
  H     12.28440722      8.89959217    -12.74041826
  H     14.93052328     12.44842745    -11.67807615
  O     12.87477691      6.43909379    -16.00367954
  H     11.33557445      7.68461251    -12.99063252
  H     15.08494588      9.33457619    -10.69275437
  O     15.98897500      6.19320277    -14.09863263
  H     12.04911877     10.90751963     -9.67774178
  H     15.58727985      8.11915410    -11.51306370
  O     13.55616846     10.05187359    -13.33558532
  H     12.14964927     12.29608702     -9.00426715
  H     11.73226878      5.10597687    -13.28037608
  O     17.17790637     10.40440873     -9.01977246
  H     19.27851097      7.96484428    -13.27971715
  H     12.69384534      5.00691697    -12.07891171
  O     14.22478695      4.17165760    -14.85290696
  H     20.56934861      8.41834512    -12.55685467
  H     17.69334123      6.79571564    -14.50568585
  O     14.57140272      9.73272787     -8.94535647
  H     13.36038262      5.63398654    -15.78601172
  H     18.13424134      8.10250565    -15.18410369
  O     18.08638311      7.98088858    -10.13332724
  H     13.49484098      7.17044644    -15.87974529
  H     11.63427898      8.72390845     -9.23329662
  O     12.98448453      7.59879678     -8.36001655
  H     15.51199500      6.96517551    -14.43429430
  H     11.26732360      8.98780729    -10.70401257
  O     14.00660643     12.40093512    -11.94922911
  H     15.48774975      5.41652164    -14.37773641
  H     12.78722992      6.98925759    -11.37653620
  O     15.34401384      9.05155178    -11.57818194
  H     14.17999099      9.61449109    -12.73167468
  H     13.12659173      6.59477022     -9.92493407
  O     12.40819367      4.54602546    -12.87865098
  H     13.57441300     10.97605400    -13.05529117
  H      9.95827197      6.39378979    -14.72970942
  O     18.46928717      7.34115155    -14.69584503
  H     17.18094534     11.07216790     -9.71388127
  H     11.48683194      6.50065330    -14.95299644
  O     11.22161174      9.37124447     -9.81696868
  H     17.55696807      9.59217386     -9.39039418
  H     17.40123135     13.12349192    -11.28738498
  O     13.23233877      6.31487150    -10.84248164
  H     13.59292603      4.22715570    -14.11296085
  H     17.15356359     11.71386753    -11.86827256
  O     10.79039827      6.47657943    -14.27221414
  H     14.28007673      3.25345374    -15.10201943
  H     14.23024698      9.04130756    -14.67009441
  O     16.84382240     12.35260427    -11.20567124
  H     15.48941552     10.01408141     -8.80873250
  H     15.51346133      8.89436451    -15.52144956
  O     14.71366761      8.43103595    -15.24560802
  H     14.01570877     10.51189114     -9.07030497
  H     18.28249591      9.72521885    -12.67433009
  O     17.48732652     10.24467981    -12.85268309
  H     18.69814145      8.05440964    -10.87514582
  H     16.75232130      9.80556265    -12.39569128
          69
 Energy    -248.24098793743690     
  O     17.80056566      8.02867199    -15.42118994
  H     17.79615489      8.65493237    -14.67780910
  H     16.93174754      7.96469276     -9.76524307
  O     15.49248882      6.86869470    -10.50639351
  H     18.24075431      8.46349151    -16.14717336
  H     13.10211754     10.01436391     -9.21834658
  O     11.80221809      8.48638104    -12.93654692
  H     14.52922141      6.90331377    -10.41775573
  H     12.25806136      9.63035733     -7.98033499
  O     12.83268053     12.69514876    -11.68122139
  H     15.67823459      6.30598096    -11.27178561
  H     15.00631044      9.87467186    -11.28988672
  O     19.54347257      7.90414621    -11.68306392
  H     12.48698592      8.87461206    -13.49863621
  H     15.41263360      8.38668177    -11.44259864
  O     13.11749888      5.22620718    -15.32718680
  H     11.39645367      7.75914286    -13.42415843
  H     11.40209664      5.27398672    -12.57879990
  O     15.85146350      5.52311946    -12.91368259
  H     12.15718780     11.99782631    -11.60003029
  H     12.15664714      5.60304932    -11.27483591
  O     14.00096267      9.54808529    -14.24265536
  H     12.38850960     13.52536446    -11.52974377
  H     17.67148819      5.74046133    -13.18547440
  O     16.99099331     11.35426072     -9.80811356
  H     19.23921313      7.16767864    -12.24301524
  H     18.41101885      6.59414310    -14.22790756
  O     13.90320205      3.54170897    -13.12870589
  H     20.47276043      7.76372272    -11.52360804
  H     11.33225582     10.25204368    -10.41281553
  O     14.32529972     11.01651199     -9.98291353
  H     13.42935390      4.54709500    -14.71649222
  H     11.22307258      9.90433613    -11.90763462
  O     17.63707589      8.61557913     -9.66279617
  H     13.82542163      5.88199439    -15.38639571
  H     12.47409250      7.67926242    -11.41706225
  O     12.34416500      9.48157711     -8.91816673
  H     15.55911625      6.12183956    -13.61524649
  H     12.53766571      7.90363404     -9.89274451
  O     15.33695725      9.22285228    -11.91996800
  H     15.27388208      4.75028422    -12.95221403
  H     10.08368353      5.98715817    -14.73730910
  O     11.91417651      4.87633460    -11.86364195
  H     14.45397782      9.35095149    -13.40535235
  H     11.62510282      5.85052481    -14.68135188
  O     18.54514942      6.08210023    -13.42159512
  H     14.13079659     10.49849385    -14.35613472
  H     17.97146908     12.83302010    -12.88061768
  O     11.11702794     10.62802558    -11.27439757
  H     17.20055599     11.66433025    -10.69560481
  H     17.58057538     11.33870926    -12.88727767
  O     12.72356707      7.25505840    -10.58282532
  H     17.28000991     10.43071179     -9.74255105
  H     14.68055686      8.01281331    -14.90420215
  O     10.84574326      6.17887012    -14.19777263
  H     13.19167171      3.96096454    -12.61121966
  H     16.02880276      7.40497876    -15.35782823
  O     17.28980862     12.22230667    -12.60857515
  H     13.84161492      2.60317704    -12.97517572
  H     14.00021998     12.44619047    -13.15560663
  O     15.13327244      7.17575302    -15.08230178
  H     15.24869527     11.24444386     -9.79328303
  H     15.50327198     12.28375266    -13.44373560
  O     14.63123684     12.21079232    -13.84824799
  H     13.92775134     11.71759484    -10.51389414
  H     18.47030386      9.10195280    -12.59659772
  O     17.80385211      9.56797218    -13.11872558
  H     18.35040892      8.31390052    -10.23733386
  H     16.95019988      9.43095617    -12.67780821
          69
 Energy    -248.24096981958019     
  O      2.18895807     -1.75938875      4.81603281
  H      2.26796100     -0.79743133      4.78508186
  H      2.23338102      0.16565829      1.25773403
  O     -3.07789820     -3.67597869      6.44048407
  H      1.73819631     -2.03938073      4.00685676
  H     -1.21137931      0.89228227      4.66598210
  O     -1.83064647     -0.80059040      9.43256360
  H     -3.43683405     -2.85604920      6.79541173
  H     -0.62930599      1.33727965      3.30770958
  O      1.27339724     -5.17854644      6.45871151
  H     -2.28476003     -3.86139204      6.96498908
  H     -1.36408753     -0.21232938      1.90706643
  O      0.77794492     -2.40145994      2.55370320
  H     -1.28039550     -0.08528567      9.08534799
  H     -0.06794740      0.30368824      1.25219637
  O      0.20895784     -4.83679669      3.91718668
  H     -1.20244581     -1.45878377      9.75180862
  H     -1.69287132      3.61732918      6.44144544
  O      3.50152783     -3.34656102      6.58817277
  H      0.96186490     -5.12698395      5.54159578
  H     -0.84008904      2.63126801      5.62609756
  O      2.59488904      0.98361281      7.66348840
  H      2.09423580     -4.67730932      6.50484886
  H      2.87850809      1.21028296      3.22534164
  O      2.55229884     -1.74554823      8.73496748
  H      1.11880579     -1.82692761      1.85808360
  H      3.70451212      2.02157773      2.21564442
  O      0.32634291     -2.59783493     10.07851754
  H     -0.15384544     -2.16812867      2.67679034
  H     -0.30620982     -2.32852285      6.90149385
  O     -1.93463770     -1.78876447      2.89430975
  H      0.51819876     -4.12837035      3.34059612
  H      0.69261123     -1.66570346      5.90511079
  O      1.64812007     -0.41927187      0.74693333
  H     -0.75327148     -4.76535272      3.91401684
  H     -2.82328695     -4.10280067      4.78329633
  O     -0.56043712      1.48504905      4.26127782
  H      3.09657585     -2.79291047      5.89762805
  H     -3.24536288     -5.01559931      3.60916287
  O     -0.88164657      0.59385084      1.68085240
  H      4.37850567     -3.56737354      6.28484267
  H     -0.47017066      1.57926263      7.50945423
  O     -0.97701643      2.99131148      6.51710944
  H      3.01849269      1.64491768      8.20567352
  H     -0.13208623      0.03696217      7.42776928
  O      3.18059935      1.22913352      2.30358726
  H      1.64754086      1.00228834      7.88889625
  H     -3.13163989     -1.03581954      8.26022653
  O     -0.09372859     -1.50715374      6.43884799
  H      2.92380518     -2.34682660      8.07654109
  H     -4.64345787     -0.92065347      7.97195075
  O     -2.62953281     -4.33081859      3.85592017
  H      2.65650097     -0.85876977      8.37458601
  H      0.00308126     -4.43016670      7.38270176
  O     -0.08484120      0.82940860      7.98558136
  H      0.61222046     -2.93733663     10.92254512
  H     -0.36524861     -3.59121275      8.65577493
  O     -3.80524293     -1.11742191      7.56226098
  H      1.12397677     -2.26938882      9.62725139
  H      1.19396272      1.20591436      4.70910788
  O     -0.68168504     -3.87619176      7.79139047
  H     -2.24239055     -2.68678552      3.07443569
  H      2.32537449      1.10986958      5.79535869
  O      2.13385541      1.02061807      4.85407324
  H     -2.15768897     -1.27967538      3.68643178
  H     -2.95840698     -0.51204222      5.97037553
  O     -2.28080734     -0.41379731      5.29316975
  H      1.99977846     -0.45858197     -0.13866767
  H     -1.50728665     -0.89033961      5.63894476
          69
 Energy    -248.24080143126992     
  O     16.41567882      8.69793837    -15.53761707
  H     16.30446489      9.52133420    -16.04203610
  H     17.19636954     11.25410702    -17.16481691
  O     17.22806449     15.65946894    -15.99629549
  H     15.96029711      8.02004087    -16.02854968
  H     18.22838133     10.84887857     -8.50212370
  O     20.07666143      9.91051055    -15.55671673
  H     17.93314545     15.15107378    -16.44065373
  H     18.72337929     11.89499778     -9.52463257
  O     19.52602369     13.43446043     -9.99410444
  H     16.91907302     16.30840646    -16.62232512
  H     21.64304096     16.79208561    -12.53667022
  O     15.10512939     13.06292690    -12.43617651
  H     20.62061091     10.57872967    -15.11266598
  H     20.09999219     16.77866079    -12.58270134
  O     19.93538962      9.64215948    -11.35379207
  H     19.47770302      9.56540136    -14.88830234
  H     20.78629711     12.49423923    -11.01285511
  O     16.37484990     10.60094777    -11.53076049
  H     18.86515802     13.72174450    -10.64270954
  H     21.05818137     11.05189457    -11.47682501
  O     19.03711601     11.43004714    -17.57153317
  H     20.05816681     14.20666604     -9.76664217
  H     17.34395805      9.75408421    -12.74324249
  O     21.07440641     14.79776194    -14.93820968
  H     15.34132940     13.12295327    -13.37762520
  H     17.41595006      9.09609268    -14.15184344
  O     21.17961113     15.66473263     -9.68179855
  H     14.16821282     13.23089001    -12.37740537
  H     19.21337150     13.26485907    -17.20405046
  O     21.16503371     12.11728278    -14.26704046
  H     19.35255832      9.42506251    -12.09128310
  H     20.01586578     14.36569398    -16.45216538
  O     16.29710471     11.10179267    -16.84645058
  H     19.35675068      9.96085367    -10.65011241
  H     23.18658094     15.26410772    -12.67975585
  O     18.26331076     11.04465239     -9.43546395
  H     16.91400348     10.81163865    -10.75781802
  H     24.01010256     16.23028422    -13.56575250
  O     20.85396404     16.99861474    -12.02024899
  H     15.89506862     11.40187549    -11.76851418
  H     18.23171459     15.97486540    -14.42272975
  O     21.40994746     11.95378573    -11.51511704
  H     19.40145139     10.85481430    -16.87685944
  H     18.40001738     15.32580851    -13.02625030
  O     17.95813015      9.46746474    -13.43945895
  H     19.36042439     11.08793818    -18.40175316
  H     22.55564528     14.66763580    -10.62796690
  O     19.24588501     14.21044163    -17.01408312
  H     20.30931759     15.16840198    -14.47565429
  H     22.68434415     13.33068084    -11.38134724
  O     23.12596622     15.91298950    -13.40425176
  H     21.85507286     15.20646268    -14.54399994
  H     18.20538793     11.24866009    -13.72433593
  O     18.82153955     15.92159223    -13.66095331
  H     21.01398477     16.19554748    -10.48192588
  H     19.34952834     12.21840307    -14.09895507
  O     23.07989524     14.20808764    -11.29511524
  H     21.36087758     16.27955195     -8.97604383
  H     16.36538140     14.12640040    -15.35727592
  O     18.41186783     12.18029982    -13.87664784
  H     21.34195415     12.07288507    -13.31666551
  H     16.97705386     12.86593618    -14.70016771
  O     16.13947345     13.26330199    -14.98978234
  H     21.25555744     13.03969391    -14.53974800
  H     16.76619936     13.86424042    -11.92675013
  O     17.71997320     13.99550029    -11.96838862
  H     16.07803413     11.86141367    -16.29408325
  H     18.04400749     13.31586035    -12.58314627
          69
 Energy    -248.24071721449832     
  O     17.09894400     10.51111687     -9.43002122
  H     17.67794193     10.82545033     -8.74126911
  H     14.18283143      6.22072905    -15.45677133
  O     11.73648807      6.89816902    -12.21793504
  H     17.28499729      9.56117179     -9.54059917
  H     16.19003535      5.46395160    -14.56184714
  O     17.42306176     10.09793121    -14.26652305
  H     12.19131737      6.12708553    -12.57523632
  H     17.72716759      5.55553916    -14.69985823
  O     17.44296366      7.85841484    -12.62786678
  H     12.24028989      7.18550582    -11.44303312
  H     14.30795441      8.21466259    -11.82744479
  O     16.78717221     11.58487297    -12.05217053
  H     16.60398720     10.07923140    -14.77511015
  H     15.67025505      8.28819863    -12.58005821
  O     13.48983783      7.84996590    -10.25713975
  H     17.27351051     10.69283746    -13.51477758
  H     15.21374914     10.42869953     -9.44117092
  O     14.96279416     10.00721564    -15.79492941
  H     17.57400278      8.60183071    -13.23182339
  H     14.08675527     11.14366615    -10.19036467
  O     16.38357948      6.06928558    -17.56529969
  H     17.35223021      7.05076530    -13.15100323
  H     13.63190288      4.76777037    -14.18477939
  O     11.18262120      8.89299587    -13.96116423
  H     17.00176706     11.22081117    -11.18378669
  H     12.67744713      3.77864588    -13.48640803
  O     15.51214320      4.74431064    -11.76176558
  H     15.93105800     12.01221181    -11.93714884
  H     13.93723974     10.02116784    -13.16079472
  O     13.53860066      7.77496410    -15.01966152
  H     14.10577705      7.23661564     -9.83701165
  H     12.51060350     10.27039579    -13.67517690
  O     14.62353746      5.36378513    -15.57292420
  H     13.68471870      8.74293522     -9.93176100
  H     15.48439049      5.51306571    -10.21616894
  O     17.01064495      5.51506793    -14.05344362
  H     14.52418028      9.15115808    -15.67062656
  H     15.42992731      5.35321381     -8.67772109
  O     14.72474869      8.45477919    -12.66474563
  H     14.47258123     10.59595718    -15.21124204
  H     19.73836535      5.65645081    -16.32237782
  O     14.26123724     10.40140936     -9.60093881
  H     16.32691624      7.01025281    -17.76868631
  H     18.89874349      6.94275875    -16.13427585
  O     13.14926975      4.59906847    -13.35872741
  H     17.26307038      5.93772560    -17.18954307
  H     16.83985190      7.23781759     -9.61574853
  O     13.35325526     10.71178441    -13.51518026
  H     10.24609685      8.93469342    -14.13208119
  H     17.59046282      7.83571655    -10.82758940
  O     15.42384963      6.00272144     -9.37565551
  H     11.31346888      8.19649083    -13.29063261
  H     16.25553408      9.44396165    -18.75226601
  O     18.86510192      5.96954884    -16.10348360
  H     14.66834055      4.64555739    -12.21899288
  H     15.87346469      9.42708239    -17.25797714
  O     17.50124552      7.89323199     -9.86477898
  H     16.16545437      4.91396799    -12.45139222
  H     18.04298645      8.81233386    -16.97315820
  O     16.39098301      8.96600901    -17.93714681
  H     12.63466827      8.08219055    -14.88677409
  H     18.47146925      9.23323347    -15.56042252
  O     18.72260185      8.66825096    -16.30301122
  H     13.98112566      7.89110412    -14.16102120
  H     13.73344706     11.94914668    -12.31633708
  O     14.08735274     12.49285757    -11.59203570
  H     15.16961746      5.45803894    -16.36649601
  H     13.65137307     13.33932375    -11.64316548
          69
 Energy    -248.24038024280662     
  O     16.55564966     10.63069661    -16.81579487
  H     15.77333963     11.10016067    -16.50360656
  H     20.94319007      9.00712899    -17.52774571
  O     15.39032784      5.28186767    -13.77181950
  H     16.77162383      9.96331069    -16.14140930
  H     18.03861778      8.57604792    -14.65061027
  O     18.77462985     13.43419157    -11.15944894
  H     15.99817071      5.30103959    -13.02332211
  H     16.56160334      8.78971384    -14.16288911
  O     19.83991876      8.10254732    -14.34449126
  H     15.93465960      5.37559605    -14.56733386
  H     13.87113865     10.59460927    -15.88147915
  O     16.77196535     10.29361157     -9.06389419
  H     19.10276999     12.67615658    -10.64319406
  H     13.37481463     12.03956562    -16.13212369
  O     15.37291298      9.00031067    -12.79016318
  H     19.28815692     14.19231648    -10.89500226
  H     17.03072920      8.82124257    -10.15791106
  O     18.30983208     11.94960171    -13.52566592
  H     20.08047646      8.25891439    -15.26498736
  H     17.96884433      8.67003955    -11.37818843
  O     19.09112009      5.51877811    -13.92101841
  H     19.71337932      7.15066233    -14.21150273
  H     14.28664498      8.53829369    -16.86313449
  O     13.53121971      7.20217536    -13.87248468
  H     16.47716689     11.03344414     -9.62533364
  H     13.64878720      8.23916507    -15.47663405
  O     17.08577857      6.02284439    -15.83221649
  H     16.35325301     10.41104663     -8.21545178
  H     18.63619356     10.82370716     -9.41917750
  O     17.30035205      5.57170406    -11.64797535
  H     14.68465430      8.37009458    -13.03723001
  H     19.55049160     10.54516710    -10.62218693
  O     20.14010335      8.89139712    -17.02558517
  H     15.89952246      8.63978617    -12.06549124
  H     19.61036121      9.08408323    -12.89906608
  O     17.12392421      8.68788373    -14.94073793
  H     17.34459868     11.88437169    -13.54125380
  H     18.87939330     10.43208328    -12.68403631
  O     14.09427412     11.53594138    -15.76131714
  H     18.53212429     12.58093782    -12.82973527
  H     15.79682353     12.23708114    -11.56399771
  O     17.25027002      8.23447769    -10.89293783
  H     18.44917989      5.52459878    -14.64530363
  H     16.96087148     12.89532294    -10.80215323
  O     13.68834060      8.88496661    -16.19186141
  H     18.57084537      5.45934308    -13.11160169
  H     18.78331438      7.69768937    -17.82161132
  O     19.43615388     11.13214476     -9.86080487
  H     14.15146175      6.45043243    -13.85302979
  H     17.31906306      7.56074006    -18.30229386
  O     19.20589344      9.64648883    -12.22356319
  H     12.67925163      6.86473774    -13.60964077
  H     14.98328614     11.78699810    -14.12170696
  O     16.14605508     12.39317509    -10.67686615
  H     17.46647613      6.12110246    -16.71452634
  H     15.42122903     10.73575822    -13.08348060
  O     18.13458778      7.06543819    -18.15404996
  H     16.99421648      6.93245427    -15.51328536
  H     19.03692781     11.57812967    -15.26377109
  O     15.51790017     11.66945139    -13.32875249
  H     17.43509742      5.00750474    -10.88974189
  H     18.29084690     11.23847258    -16.55712889
  O     19.17831870     11.29916784    -16.17685629
  H     17.29430026      6.48367765    -11.31622895
  H     15.34479692      8.80429981    -19.23114886
  O     15.65407412      8.55146182    -18.36378712
  H     19.85516165      9.78044990    -16.74888752
  H     16.00291383      9.35737839    -17.94700951
          69
 Energy    -248.24033466964570     
  O     -1.58057965      4.16912626      2.51565358
  H     -0.88909193      4.46343900      1.89994980
  H      0.98112161     -0.12287939      1.64101581
  O     -3.41443799      5.60504468     -0.60420482
  H     -2.27449069      3.76133081      1.98037054
  H     -0.22252158      3.93276156     -2.25478829
  O      1.92143623      7.26760363      1.03048973
  H     -3.33180359      4.78085876     -0.10407460
  H      1.09572808      3.13507707     -2.37837665
  O     -0.83218273      5.43822725     -1.62544727
  H     -3.88200019      5.36701550     -1.41557815
  H      0.11205101      6.87508924     -2.35423061
  O      2.40304447      2.98792072      0.85374339
  H      1.34890715      7.97108100      0.69596124
  H      0.51670852      8.23649601     -1.78918075
  O      0.40599546      4.95199265      0.78700533
  H      1.81473866      7.22808523      1.99218218
  H     -3.04834645     -0.51241051     -2.27636715
  O     -2.07790712      7.67688947      0.88093620
  H     -0.36657931      5.32308183     -0.78310846
  H     -2.40692241      0.69891056     -1.55977971
  O     -1.14216872      1.50990852     -0.56374043
  H     -1.76051477      5.56056602     -1.39643812
  H      2.57447155      3.71370467      2.54871107
  O     -1.57417433      6.67243333      3.55266123
  H      1.92640840      2.15153945      0.93510346
  H      3.34131547      3.99496454      3.85667531
  O     -3.18394227      3.06734926      0.60210049
  H      2.67053258      3.09291753     -0.06924105
  H     -3.68835773      3.89245550     -3.27726737
  O      0.05278312      9.05176562     -0.08113053
  H      1.06227098      4.24585888      0.75546039
  H     -4.87988451      4.76574843     -3.72922417
  O      0.74278714      0.76461299      1.38652960
  H      0.89082775      5.78138429      0.90388367
  H     -1.49389297      2.83350475     -3.49423296
  O      0.13995635      3.05653045     -2.46736976
  H     -2.62505297      7.03051629      0.41855421
  H     -2.69147601      1.87907678     -3.35506814
  O      0.72272074      7.61202895     -2.49532052
  H     -1.97103632      7.36810616      1.78798039
  H      0.96996715      2.84347122      3.71696985
  O     -3.11323231      0.43338731     -2.17249979
  H     -0.51385916      1.19472150      0.09591636
  H     -0.51678701      2.89238727      3.31716216
  O      2.46961668      4.01015985      3.46679099
  H     -0.65273660      2.03515064     -1.21453361
  H      3.63252728      3.33212895     -2.40771263
  O     -4.43345059      4.43028128     -2.95610164
  H     -1.67344277      5.74153217      3.28857712
  H      2.89162416      4.49927938     -1.71307075
  O     -2.42594007      2.73237027     -3.72089176
  H     -2.15823055      6.81256030      4.29416430
  H      0.35922533      6.70189102      3.69134576
  O      0.20122388      2.28549189      3.54547969
  H     -2.44982198      2.56550179      0.22242531
  H      1.60432151      5.77482422      3.66413510
  O      2.89382647      3.53072085     -1.83877179
  H     -3.97981453      2.76995212      0.13918268
  H     -5.05771518      2.98252645     -1.80482429
  O      1.32306829      6.69734678      3.64178255
  H     -0.11596024      9.98400119      0.02597709
  H     -4.59022565      1.53677762     -1.56007497
  O     -5.11735586      2.25023182     -1.17831834
  H     -0.74544367      8.58667349      0.22741707
  H      2.20714515      6.68270433     -1.94124310
  O      2.83302758      6.17021749     -1.40909562
  H      0.50135595      1.23789448      2.20421686
  H      2.74157998      6.52588522     -0.51664525
          69
 Energy    -248.24030918295404     
  O     14.59341920     11.92739065    -12.64586783
  H     15.31312177     11.79332499    -12.01727830
  H     14.14733793      8.66150416    -16.92962813
  O     14.42321770      6.49495056    -14.68705956
  H     14.94847000     11.75793176    -13.52767596
  H     18.27268590      6.04839826    -14.97777558
  O     16.79300890      6.28717544    -11.06977872
  H     14.82424916      7.30140369    -14.32444613
  H     19.24935331      4.86667475    -14.88109707
  O     18.99430656      7.78454805    -12.09067363
  H     14.94722090      5.76757824    -14.32684173
  H     18.98856495      9.46239216    -11.56653441
  O     13.04263719     10.14279640    -16.45727284
  H     16.36236118      7.14821356    -10.96073787
  H     19.84040829     10.74003950    -11.52512615
  O     12.82392232      6.04112041     -9.55115728
  H     16.38958000      5.70931906    -10.41020853
  H     15.62939332      8.75872134    -12.66210975
  O     12.15426521      6.90553272    -13.17723942
  H     18.36168472      7.16697056    -11.70213339
  H     15.53284596      9.50443999    -14.03977130
  O     15.50696255      8.72480387    -10.85538065
  H     18.83432559      7.77691951    -13.04304471
  H     13.00553384     11.38267384    -12.22740705
  O     17.13514860      9.46985516    -16.90423435
  H     12.45515538     10.55739494    -17.08317539
  H     11.60226843     11.76468919    -11.69714481
  O     11.75320292      4.52670864    -11.74036601
  H     12.49434103      9.86555339    -15.70105459
  H     14.61972055      3.73953038    -10.87447837
  O     18.07053686      7.84988110    -14.76966988
  H     12.76617946      6.95414101     -9.85904344
  H     14.88058464      3.78224225    -12.38932593
  O     14.84861556      8.00653074    -17.03752247
  H     12.33535904      5.51756571    -10.19926184
  H     11.66364831      8.51756306    -13.96601623
  O     18.32310444      5.07950732    -14.96939884
  H     12.90630641      6.70270909    -13.75323801
  H     11.70718431     10.00104199    -13.53265791
  O     18.96555324     10.40815611    -11.34259083
  H     11.89841208      6.07880375    -12.75078273
  H     16.37879077      5.31290038    -12.58436894
  O     15.69944714      8.65334485    -13.61803534
  H     14.54118561      8.68230521    -10.80454654
  H     16.89002005      4.71429957    -13.92299379
  O     12.12921404     11.02743924    -11.99308710
  H     15.79179592      9.62124504    -10.64352871
  H     14.37536479      5.24492566     -9.33350098
  O     14.24615946      3.47874171    -11.72511229
  H     17.45866032      9.65067254    -17.78261480
  H     15.30992744      4.39525209     -8.44104596
  O     11.61261805      9.42315640    -14.29925911
  H     16.35803969      8.88925631    -17.00726201
  H     12.58418144      7.94021023    -11.74057455
  O     16.12306271      4.75926663    -13.33623780
  H     11.10115941      3.83243580    -11.77648005
  H     12.47152153      9.38429689    -11.19086036
  O     15.20638720      4.73677497     -9.32509274
  H     12.62598010      4.09635847    -11.79817170
  H     17.41777544     11.04042030    -10.91027711
  O     12.77161113      8.49474673    -10.96795020
  H     17.26035594      8.05199049    -14.27627065
  H     16.64025792     11.86757820     -9.86051505
  O     16.52807867     11.33283950    -10.64226921
  H     18.00323545      8.38824352    -15.56570110
  H     16.10479883     10.64193218    -15.74525942
  O     15.40030315     10.97321384    -15.17468753
  H     14.68566309      7.33230340    -16.36494827
  H     14.56943820     10.78443507    -15.63467670
          69
 Energy    -248.24012308249155     
  O     11.71757142     10.81432810    -14.58448832
  H     11.42317990     10.40201661    -13.76324597
  H     15.28274039      6.09254608    -15.60521387
  O     15.72982962      6.45537571    -13.84627432
  H     12.28561586     11.55747790    -14.34557558
  H     19.04800209      8.04569644    -14.34944626
  O     16.90770203     10.55592480    -10.74280289
  H     15.72479171      7.41626487    -13.98545645
  H     19.09637362      8.81062665    -13.00848386
  O     17.65462885     10.73861459    -14.94864639
  H     16.53237480      6.22964576    -13.36508694
  H     16.34256783     11.84743537    -15.62866440
  O     12.19157442      6.64850029    -16.09256988
  H     16.12608441     10.79944531    -11.25642994
  H     15.31122063     11.69181591    -16.75769815
  O     15.61273021      8.63425439     -9.18861858
  H     16.59762273      9.90004884    -10.10459602
  H     16.16766255      9.65653963    -14.62683255
  O     13.90199823      6.44779221    -11.78424100
  H     18.15631665     10.09049578    -15.46046221
  H     14.72273094      9.16162495    -14.99068461
  O     14.61630694     10.82880730    -12.31168747
  H     18.09005682     10.80731909    -14.08892418
  H     10.13962956      9.50491138    -11.69905471
  O     16.64738931      8.12047994    -17.51261219
  H     11.98064024      6.67268763    -15.14207181
  H     11.66678934      9.27985980    -11.64289355
  O     16.11379926      5.92802347    -10.06203155
  H     11.44390583      6.24724349    -16.52711620
  H     12.33132093      6.58109893    -12.82033583
  O     18.91518196      8.55116418    -16.16823919
  H     14.72110032      8.79010875     -9.52258404
  H     11.29266370      7.68364284    -13.10616738
  O     14.98388536      6.13154724    -16.52441130
  H     15.82429958      7.72382435     -9.42554220
  H     19.64516454     11.13046756    -12.09745678
  O     19.09088105      7.92511170    -13.39291584
  H     14.45468052      6.43182966    -12.58037679
  H     18.23466002     10.57253835    -11.79135463
  O     15.52305667     12.22163840    -15.98013420
  H     14.48405634      6.15282288    -11.07511099
  H     18.49404942      5.08005818    -12.38820339
  O     15.41813657      9.13103933    -14.31942961
  H     14.89096983     10.18703783    -12.98450757
  H     18.41271924      6.61431960    -12.54760196
  O     10.90950600      9.36790144    -12.24566332
  H     14.28751205     11.59819520    -12.78974559
  H     14.21876121      9.93298338    -17.40944420
  O     11.64911609      6.85496770    -13.44670327
  H     16.09427306      8.86510768    -17.77082589
  H     14.40539496     10.47185159    -18.84786050
  O     18.94759376     10.58974104    -12.45678659
  H     16.05410967      7.40346905    -17.24359280
  H     13.47149468      8.13644063    -11.17158077
  O     17.96160385      5.83953809    -12.16436989
  H     16.36084979      5.26400832     -9.42235416
  H     13.70988588      9.67781219    -11.28896799
  O     14.86324187     10.32953612    -18.02322052
  H     16.79599400      5.91824242    -10.75180245
  H     13.60170388     13.76066204    -14.00817356
  O     13.21610169      8.99620178    -10.80637344
  H     19.64143820      8.48359012    -16.78193196
  H     14.33525154     12.63573227    -14.77440517
  O     13.69178738     12.81334712    -14.06454535
  H     18.10671746      8.33484470    -16.66935039
  H     12.88352632      8.34714389    -16.19229885
  O     13.26910383      9.22948824    -16.13963533
  H     14.02352248      6.19173839    -16.47222552
  H     12.66286603      9.79234663    -15.63361103
          69
 Energy    -248.23990867966316     
  O     18.85938048      9.53317604    -14.99352107
  H     19.35092214      8.69962029    -15.03734007
  H     20.72481556      7.00345092    -14.11074701
  O     21.91997875      6.88195457    -12.77943614
  H     17.97950330      9.33603622    -15.33042780
  H     18.71103770      3.94141737    -14.36064977
  O     16.27448451      8.14736680     -9.56596068
  H     21.58085352      7.49784714    -12.11229271
  H     19.72620131      5.08498622    -14.63572684
  O     12.87047050     10.42970440    -11.85763967
  H     21.77049310      5.99780012    -12.42690578
  H     15.59233813      9.69071284    -13.00577456
  O     16.20938618      8.67905924    -15.90816211
  H     15.89743607      7.35476266     -9.97414266
  H     15.22620334      9.49906315    -14.49995115
  O     11.68387448      7.82124677    -11.90745906
  H     15.51425035      8.70191742     -9.33603273
  H     18.08833085      6.45678342    -12.14140304
  O     18.74710699      5.40317138    -10.79386125
  H     13.54197762     10.26677339    -12.54008918
  H     17.52285116      7.86748408    -12.53031458
  O     14.76981957      6.09847277    -10.74213490
  H     12.52484896     11.30438057    -12.01971023
  H     14.24967623      7.95679670    -13.36486567
  O     20.99903169      4.26120769    -11.96241972
  H     16.19104288      7.74082922    -15.65645288
  H     14.60438766      6.55257392    -13.88124201
  O     16.46958307      4.01255350    -11.61155851
  H     16.06481527      8.70893511    -16.85133176
  H     19.08952719      7.64506371     -8.06376116
  O     16.83943705      3.48376091    -14.25015498
  H     12.33078730      7.40300782    -12.49194147
  H     17.95523718      7.81175817     -9.09989677
  O     19.92116764      6.98820458    -14.65461367
  H     11.91411244      8.75920170    -11.90463656
  H     13.31456042      8.61924018     -9.21458239
  O     19.64346745      4.17912126    -14.30850232
  H     19.58984668      5.02993242    -11.08656433
  H     13.55028148      9.84096099    -10.11812169
  O     14.85007762      9.69037345    -13.63285989
  H     18.92085351      6.04751348    -10.09836410
  H     20.09779565      8.35647361    -10.29659116
  O     17.77114499      7.00145734    -12.87315571
  H     13.98288584      6.22962992    -10.19883651
  H     20.26570948      9.33359166    -11.48425045
  O     14.01845812      7.02229393    -13.27480651
  H     14.54185667      6.41516934    -11.62814025
  H     19.75510078     11.47754076    -12.64392035
  O     18.89285818      7.57891302     -8.99512908
  H     20.54733084      4.15406170    -12.81984650
  H     19.21012930     10.27514603    -13.45220547
  O     13.86164576      9.40936037     -9.31385363
  H     21.55292127      3.49447154    -11.84525267
  H     16.27835219      5.16551937    -14.87221040
  O     20.70769505      8.63418028    -10.98848603
  H     17.29924134      4.34838054    -11.24537123
  H     16.70293960      6.43406485    -14.12077543
  O     19.34112958     10.62373169    -12.55141154
  H     15.79210550      4.61186987    -11.27429015
  H     12.02628286      7.20732231    -10.29966967
  O     16.13544707      6.11832283    -14.84507427
  H     16.56579604      2.59086061    -14.44175813
  H     11.68152225      6.54258217     -8.94439028
  O     12.39470256      6.93587775     -9.43954547
  H     16.67820430      3.62829576    -13.29962948
  H     17.74706778      9.98225258    -11.95361537
  O     16.91529788      9.49364922    -11.90008264
  H     19.18068367      7.01760362    -14.03005322
  H     16.77533511      9.16019463    -11.00474550
          69
 Energy    -248.23972035123438     
  O      1.45118193      0.71546254      4.20211269
  H      2.16343709      0.88341051      4.81307422
  H     -3.56713487     -0.16079286      5.47332875
  O     -0.33934684     -0.91028804      5.38027833
  H      0.83800202      0.09984904      4.64753858
  H     -2.09508649      3.46578194      1.13644383
  O     -1.78053370     -0.23912893     -1.14905488
  H     -1.19107524     -0.55554063      5.67435318
  H     -0.72896124      2.85300521      0.70221749
  O      0.48627254     -3.95146516     -1.15202617
  H     -0.50359328     -1.82613891      5.13252986
  H     -3.28002980      0.48068256      1.05452080
  O      1.97651768     -1.66291260     -0.90601425
  H     -1.15170316      0.31238786     -0.66039048
  H     -4.04328299      1.65184614      0.41263368
  O     -4.66424807      2.44760892      3.58542967
  H     -2.65005996      0.06470836     -0.85437669
  H     -1.74859912      0.85502191      2.92172471
  O     -3.61615112     -3.19533272      3.73220376
  H      1.04286859     -4.69114729     -1.37819783
  H     -1.61396221     -0.60984040      2.39309276
  O     -0.83478245      2.28608727      3.72688345
  H      1.07948134     -3.18707652     -1.05524844
  H     -1.09520718     -3.36673956     -0.64078656
  O      0.53719403      0.10823658     -2.65351435
  H      1.61030053     -1.05217349     -1.55752875
  H     -1.85247981     -2.00086131     -0.64902739
  O     -4.54612609     -0.45702712      3.81572427
  H      1.99082363     -1.19023294     -0.06480460
  H      0.81267518     -0.96739320      1.70387727
  O     -4.03158861      3.38205069      1.10823112
  H     -4.08675773      2.70193712      4.31672352
  H      1.64562526      0.10459710      2.42720488
  O     -2.84484475      0.09752932      6.05762692
  H     -4.82450748      1.50403886      3.69610487
  H     -2.44637343      3.65272908      6.10930123
  O     -1.14773779      3.46925511      1.31861216
  H     -3.84061759     -3.40652744      2.81704268
  H     -1.99130539      2.73509527      4.94717747
  O     -3.87656784      0.70597605      0.32182780
  H     -4.01425611     -2.33598849      3.90993763
  H      0.69365426      0.92744046      0.47574510
  O     -2.21512031      0.14140631      2.47029438
  H      0.03033932      1.87907725      3.84831170
  H      0.56582033      1.31109997     -1.02452279
  O     -1.85887207     -2.89339779     -0.27646749
  H     -0.84582724      2.79116631      2.89815097
  H     -1.97610796     -3.43808604      4.20897727
  O      1.48029185     -0.27812667      1.55772994
  H      0.47598198      0.26258085     -3.59288129
  H     -0.85500691     -4.35171557      4.76375388
  O     -2.71307068      2.90721198      5.57858165
  H     -0.35867466     -0.11145966     -2.34971949
  H     -0.97916983     -2.45202829      1.27873576
  O      0.19851274      1.47780121     -0.15001331
  H     -3.68434170     -0.25655801      3.41372735
  H     -0.62465489     -2.64011589      2.79497669
  O     -1.01530046     -3.50352711      4.36025874
  H     -5.12575755     -0.70688994      3.07985965
  H     -3.38021657     -3.38372405      0.49008478
  O     -0.53916075     -2.04827533      2.03719825
  H     -4.28098819      3.08709760      2.00289933
  H     -4.56247693     -4.37525139      0.55523975
  O     -4.19563994     -3.59927668      0.97233305
  H     -4.58878103      4.12786198      0.90214048
  H     -5.19695625     -0.50579170      0.91239706
  O     -5.68209842     -1.16944055      1.42201389
  H     -2.84448379      1.06284742      6.05432021
  H     -5.27750804     -2.01630704      1.19857604
          69
 Energy    -248.23965124071114     
  O     15.61207349      9.67041151    -16.86765134
  H     14.77104107      9.93991201    -16.47675492
  H     18.61190936      5.58399475    -10.92849091
  O     16.08642206      5.13459028    -13.30763956
  H     16.20939779     10.43598308    -16.81124796
  H     19.21064384      9.36367304    -17.39082488
  O     17.38271010     14.01916138    -11.65082228
  H     16.42509985      5.23585214    -14.20333559
  H     20.47820236     10.19648880    -17.70235081
  O     19.60363444      8.82496064    -14.55232573
  H     16.80050279      5.41169504    -12.71954693
  H     17.75774973      8.67853010    -14.56286056
  O     14.72408513      6.86210828    -16.96112639
  H     17.61893203     14.93820027    -11.56217750
  H     16.42225818      9.00334099    -15.31195946
  O     16.95207697     10.74255978     -9.03256719
  H     18.03257045     13.50763122    -11.13623766
  H     12.44812967     10.64302677    -15.81655786
  O     15.25855742      8.46886800    -12.32998063
  H     19.81336045      9.31937545    -15.35403946
  H     13.06373847      9.34388449    -15.23964107
  O     17.13662311     12.07172134    -13.67554507
  H     19.60313103      9.43703299    -13.80312591
  H     16.66246091      8.57459585    -11.27571175
  O     19.51036069      6.04483266    -14.27447458
  H     15.00133457      7.76959590    -17.13293702
  H     17.37585230      9.26459043    -10.08632964
  O     13.68082339      6.18820987    -12.67220283
  H     15.52628137      6.38435653    -16.71868020
  H     13.46331065      7.24514643    -15.70044099
  O     17.24148882      6.09312425    -15.80940614
  H     16.32102711     11.25400348     -9.57082517
  H     13.07381611      7.13016529    -14.20930248
  O     18.24062614      6.07856584    -11.65633929
  H     16.64215454     10.78696238     -8.13186222
  H     18.43093819     11.80870065     -9.71451882
  O     19.79718237     10.06249551    -17.04871660
  H     15.78568022      8.41955143    -13.14577485
  H     19.24780259     11.68485024    -11.00695110
  O     16.80201924      8.53182641    -14.56033572
  H     14.64151624      7.72851248    -12.34030146
  H     18.52385192      9.77266073    -11.87778796
  O     13.24790173     10.27982847    -15.44509940
  H     17.22668240     12.85053592    -13.11206191
  H     18.34860014     10.96204757    -12.87090229
  O     17.51005053      8.63632021    -10.80689883
  H     16.25416271     11.70941285    -13.51169740
  H     15.92122937     12.98230735    -10.94116454
  O     12.92435225      7.65113367    -15.00518300
  H     19.19139711      5.97755789    -13.36720945
  H     14.93952352     11.89810857    -11.42262081
  O     19.01412598     12.30461037    -10.30231766
  H     19.70699849      6.98488371    -14.39891730
  H     17.11280362      8.66915498    -17.68286833
  O     19.00663907     10.42154551    -12.40832597
  H     14.50440405      5.72618192    -12.91309171
  H     17.83228742      7.37465793    -17.26719597
  O     15.35650774     12.26299386    -10.63175370
  H     13.15290792      5.57152873    -12.17286844
  H     14.76698681     10.14163940    -12.73030976
  O     17.94670198      8.19104436    -17.76639380
  H     18.10558997      5.88220065    -15.42356654
  H     14.07512511     10.91776237    -13.86985063
  O     14.60785786     11.03350580    -13.07463052
  H     16.96404449      6.90243658    -15.35047365
  H     18.32905542     11.24282889    -16.60704814
  O     17.44833982     11.59119202    -16.42610715
  H     18.05510653      6.96714674    -11.31493666
  H     17.42466281     11.84121926    -15.49226401
          69
 Energy    -248.23963743269974     
  O     15.67011116     10.73639774    -16.60616841
  H     14.78166006     10.84837911    -16.24551790
  H     19.30745499     11.08598891    -16.43066361
  O     15.85130844      5.38387329    -13.13689635
  H     15.61349925     10.23732473    -17.43170760
  H     16.32781272      9.41171142    -15.52517752
  O     17.88629244     12.63550874    -10.53133770
  H     16.44155869      5.90173217    -12.57742304
  H     17.58142643      8.72226353    -14.90045943
  O     19.46588257      8.50517853    -14.84473823
  H     16.16325765      5.48388741    -14.04717606
  H     12.40182210     11.29550197    -15.54718468
  O     14.43257874      7.06156850    -17.40524119
  H     17.01602308     12.33558736    -10.23866317
  H     13.07262868      9.92996906    -15.27073762
  O     17.00811261      9.25573027     -9.28912334
  H     18.51664441     11.99523631    -10.17801986
  H     16.34244914      7.85410628    -11.85967702
  O     14.97577475      8.59321935    -12.73290021
  H     19.75558987      9.22271555    -15.42505043
  H     17.86818972      8.04502743    -11.83808798
  O     17.41930441     11.72083008    -13.08024458
  H     19.46911690      8.82912330    -13.93312453
  H     13.37428316      7.81584178    -16.16531467
  O     13.32902702      6.40286961    -13.21421055
  H     14.90739879      7.69054213    -17.96117141
  H     12.92885792      7.56699791    -14.71137351
  O     19.25431071      6.36293700    -16.53355257
  H     15.10944547      6.53934267    -16.95600168
  H     18.60459193      9.94582187     -9.44963416
  O     16.54241515      6.07073541    -15.78139777
  H     16.33985718      9.89974551     -9.55281787
  H     20.05653772     10.21415285     -8.98349329
  O     19.99261072     10.47056947    -16.75316421
  H     16.97066687      8.53181322     -9.92755671
  H     19.32128195      9.77560775    -11.48637720
  O     16.61758991      8.70679783    -14.93203571
  H     14.30596343      7.90609696    -12.83360134
  H     18.41396502     10.24179392    -12.64861193
  O     13.21420390     10.89529287    -15.24866377
  H     15.51402265      8.59821107    -13.54199564
  H     14.98172778     11.46911720    -11.00262713
  O     17.16394645      7.46535146    -11.52066514
  H     16.46225789     11.59693409    -13.07071994
  H     14.56400290     11.79233472     -9.55448856
  O     12.91354964      8.22265020    -15.41592853
  H     17.64920193     12.19095817    -12.26513055
  H     18.74088835      7.72645137    -17.80259193
  O     19.44777806     10.36568642     -9.70092001
  H     12.70349492      5.84983825    -12.75442981
  H     19.02333009      9.24056453    -17.84182238
  O     18.98930317      9.51953982    -12.35506377
  H     14.18299891      5.93427965    -13.19397958
  H     14.72176349     10.28667952    -12.66689214
  O     15.28620597     11.45746802    -10.08146540
  H     20.01742959      5.79111923    -16.51992027
  H     14.10399655     11.35289990    -13.57653378
  O     18.48572612      8.54595760    -18.24212505
  H     19.40052218      7.04406506    -15.85376707
  H     17.89371641     11.99932947    -14.83165627
  O     14.63454169     11.24894753    -12.77980271
  H     17.44328311      5.96908127    -16.10946341
  H     17.17721311     11.68203658    -16.15948098
  O     18.01885671     11.98251794    -15.79012327
  H     16.46870217      7.00015772    -15.51239276
  H     15.80950103      9.19092055    -19.78236857
  O     15.89557266      9.07082161    -18.84032552
  H     20.74126232     10.99992611    -17.01209108
  H     16.83190510      8.86438994    -18.66804723
          69
 Energy    -248.23950793676173     
  O     10.83659589     10.69042014    -11.96967566
  H     11.59561065     11.10631036    -12.39773115
  H     15.42876114     13.31171983    -15.34261555
  O     13.73877930      7.23863469    -15.00193646
  H     10.39816941     10.16132490    -12.64804118
  H     15.07772808      8.35293059    -14.40713301
  O     17.68537819     10.09173256    -10.49188262
  H     13.66300483      6.86925286    -14.11181391
  H     16.27378103      9.37006385    -14.42586412
  O     18.10906336      9.71423120    -17.59645904
  H     13.12075051      7.97951169    -15.06630593
  H     11.05153790      9.57569075    -10.63822782
  O     12.21557805      9.55568342    -15.10360044
  H     17.38042279      9.20402468    -10.22973536
  H     10.58168990      9.02641755     -9.26905227
  O     13.84075858      6.35709754    -12.32388418
  H     18.12385473     10.46648831     -9.73277909
  H     17.60725374      6.49698675    -12.81104658
  O     15.13246437     10.32618337    -11.67489036
  H     18.68514028     10.00676300    -18.29830123
  H     16.36631732      7.37356873    -12.96671592
  O     15.59423643      9.10975662    -18.58264293
  H     17.25315614      9.50251157    -18.00430498
  H     11.04742144      7.47496203    -11.34077825
  O     17.32378120     10.76175580    -15.10759420
  H     12.56609002     10.17256939    -14.44534062
  H     11.90920234      6.57726322    -12.25475402
  O     15.72495984      6.73472130    -16.90544117
  H     11.33417422      9.29894783    -14.80550096
  H     18.53018581      9.90822673    -12.19428296
  O     18.30632603      7.25542568    -16.08719505
  H     13.82450699      7.00845200    -11.60644959
  H     19.06298813      8.85526621    -13.19420394
  O     15.13992297     12.41340212    -15.20190398
  H     14.76825898      6.10228976    -12.40052749
  H     18.94153832      7.04752771    -14.51227929
  O     15.71780795      8.82315180    -13.85953542
  H     15.32290321      9.78169988    -12.45754147
  H     20.07486549      6.49213689    -13.61674579
  O     11.17213552      8.85268823     -9.99688337
  H     15.97589897     10.44582669    -11.22371292
  H     15.68112651      7.76530609     -9.81398127
  O     16.69135371      6.57702243    -12.51998705
  H     15.19388766      9.00793815    -19.44203371
  H     16.73317039      7.16788276    -10.76010329
  O     11.03313500      6.96997597    -12.16413994
  H     14.97884189      9.64325566    -18.04722231
  H     13.25516333     10.18845369    -16.50108508
  O     18.87477318      9.79624870    -13.08852011
  H     17.94952765     10.50983636    -14.40926470
  H     14.33857286     11.28243912    -16.50496392
  O     19.26154412      6.98836660    -13.59237133
  H     17.67251441     10.45423888    -15.95274136
  H     12.98000845      8.48078291    -10.04056857
  O     16.63361257      7.65571837     -9.93026977
  H     15.59885209      7.46048945    -17.52642095
  H     14.25668651      9.04783314    -10.72045478
  O     13.95643969     10.57711685    -17.04030088
  H     14.98014523      6.77910773    -16.29084913
  H     13.79195476     11.92013553    -13.94487747
  O     13.89028322      8.26822157    -10.27775722
  H     17.42068249      6.93234306    -16.31182665
  H     13.84434824     11.13477321    -12.62602949
  O     13.23448108     11.46354676    -13.30336888
  H     18.42022797      8.05887368    -16.60365856
  H      9.00280509      8.44796881    -14.11562810
  O      9.86954545      8.74606653    -13.85461529
  H     15.94425646     11.87307359    -15.11453021
  H     10.25629430      8.04270851    -13.30193032
          69
 Energy    -248.23934220579284     
  O     -4.13684010      1.47411564      2.12841401
  H     -4.08630372      0.86735789      2.88321181
  H     -1.97377202     -2.46512540     -1.16298740
  O     -3.25832010     -1.59144241      6.64466160
  H     -4.39728180      2.31953622      2.48589881
  H     -1.23970810     -4.80454159      0.79178843
  O     -0.87103408      0.19202937      3.93090780
  H     -3.40269521     -1.25996680      7.52725910
  H     -1.06937309     -5.97486909     -0.20582202
  O     -3.55738673     -0.43963534      4.05111019
  H     -2.29387488     -1.63592491      6.51857239
  H      2.19741894      0.16556543      3.28251050
  O      1.92953898     -2.44409997      5.48739180
  H     -0.74575745     -0.50417912      3.26469887
  H      2.54643601     -1.14920538      2.57878350
  O     -3.77084266     -4.19476324      5.59164841
  H     -0.24037993      0.88075528      3.69357379
  H     -1.24045943     -0.97997245      1.32376350
  O     -0.62105013     -1.68634223      5.94281437
  H     -2.63959141     -0.13203005      3.98669510
  H     -1.16059652     -2.42693484      1.92124616
  O      1.54000543     -5.05596070      4.26680232
  H     -3.65122594     -0.80393252      4.93827827
  H     -1.72453728     -4.15017905      3.05015487
  O     -5.68917244     -4.17610919      3.65072073
  H      2.23513009     -1.82266663      4.80868132
  H     -2.88743232     -3.58008919      2.17205662
  O     -2.30128987      0.27420793      0.44306537
  H      1.94130060     -3.31850346      5.08403635
  H      1.84858327     -1.65468402      0.12119317
  O      1.65614169     -4.68502322      1.59070916
  H     -3.71723539     -3.34546418      6.04673206
  H      0.99115928     -1.81808662      1.38232625
  O     -1.05951927     -2.67200579     -1.38647293
  H     -2.86305502     -4.40068991      5.33485007
  H     -4.90497901     -3.01240454      2.59680461
  O     -0.71775954     -5.12077352      0.03288936
  H     -0.67131975     -0.95220264      5.31473013
  H     -4.05449456     -1.71811693      2.76771186
  O      2.60963748     -0.69265642      3.42813826
  H      0.31137751     -1.95372876      5.95570936
  H      0.30793283     -1.55330566     -1.47993660
  O     -0.71878749     -1.57092581      1.88414469
  H      2.09534553     -5.79370886      4.50381759
  H      1.41799541     -0.96153987     -2.37612266
  O     -2.03560211     -4.03325872      2.14072473
  H      1.61653369     -4.94643475      3.30222572
  H      0.89347558      1.57826192      1.83484807
  O      1.88240507     -1.97253021      1.02995439
  H     -5.04171738     -4.24867265      4.37373547
  H      1.54988925      2.60340370      2.78529689
  O     -4.29964992     -2.40875124      2.13864143
  H     -6.40186002     -4.76828243      3.87192519
  H     -0.63429381      1.05010602      0.22089400
  O      1.08661380     -0.96891488     -1.48216673
  H     -2.92258227      0.77185651      0.99376295
  H      0.68487976      0.57095071     -0.39309440
  O      1.14245902      1.74181763      2.76189610
  H     -2.82334867     -0.37106601     -0.04768705
  H     -3.99561468     -2.12440651      0.39834764
  O      0.31610759      1.22895265      0.20757557
  H      0.93476206     -4.92930659      1.00083288
  H     -4.52797740     -1.98096766     -1.04392410
  O     -3.73128227     -1.94492689     -0.51997627
  H      1.87411283     -3.76812738      1.37114255
  H     -0.93513778     -3.32801550      5.10215543
  O     -1.07979772     -4.19938615      4.70933548
  H     -0.87830605     -3.53239050     -0.98718328
  H     -0.20715836     -4.60428586      4.61866195
          69
 Energy    -248.23916530742986     
  O     11.78269539      2.52470347    -10.65727121
  H     11.27670851      1.81625952    -10.26773663
  H     17.30933104      6.21516033    -16.36791864
  O     18.23669022      4.31346059    -10.95275541
  H     12.02724115      3.12401593     -9.92923147
  H     17.18826326      6.22548129    -12.96798203
  O     14.41733447      8.63538250    -11.89621935
  H     17.99624212      4.52921472    -11.86429950
  H     17.66612104      5.50401064    -14.25732201
  O     15.63567133      9.38306033    -16.19880427
  H     17.63498322      3.61385143    -10.66751311
  H     11.70915672      8.17130923    -14.21176935
  O     17.60783878      6.56809976     -9.60810818
  H     14.18324531      7.71278610    -11.68996837
  H     10.74122006      6.99067015    -14.41343687
  O     15.18766568      5.07070633     -9.19769573
  H     13.93883869      9.18537588    -11.28040177
  H     14.22440971      5.69075859    -10.61728610
  O     16.23687312      2.57219674     -9.96338158
  H     15.81390544     10.17520029    -16.69834682
  H     14.05041502      5.46210297    -12.14796116
  O     13.54883725      8.48269111    -14.56868537
  H     16.42223944      9.21139626    -15.65038545
  H     13.43776930      2.27930508    -11.47974047
  O     15.74788583      6.62103462    -17.01386762
  H     18.25893407      6.79625003     -8.94963595
  H     14.41272154      2.91893858    -12.50196481
  O     12.49997657      4.21995415     -8.66920130
  H     17.92330747      5.75608312    -10.04746778
  H     10.82503062      6.62745610     -9.60534624
  O     17.79403571      8.67751393    -14.70953891
  H     15.53621216      4.19042463     -9.39920021
  H      9.95894610      6.70513383     -8.33762391
  O     18.16727708      6.10072078    -15.91989765
  H     15.94458915      5.66802279     -9.20337575
  H     17.32109627      7.52485775    -11.20410277
  O     17.28986643      5.35602391    -13.38070390
  H     16.34651435      1.76806038     -9.46372195
  H     16.20095725      8.21183308    -12.02285149
  O     10.87281769      7.79953183    -13.90362986
  H     15.57392070      2.38794247    -10.65389335
  H     10.96992760      7.23074799    -12.19301887
  O     13.81235581      6.04572628    -11.41501131
  H     14.19824691      8.89031585    -15.15585812
  H     12.05472353      6.46954717    -11.37362723
  O     14.33924822      2.23499883    -11.82207689
  H     13.87493015      8.59896423    -13.66713397
  H     15.61836329      4.69040264    -13.48834432
  O     10.81945925      6.44005183     -8.65213545
  H     14.95331378      6.22818036    -16.62851906
  H     14.27001414      4.84086647    -14.25835646
  O     17.09303934      7.84529638    -12.08592251
  H     15.65181196      7.57476842    -16.90183071
  H     10.67215873      5.09057850    -12.10505472
  O     11.12979530      6.75817223    -11.36365242
  H     11.91908632      4.98685154     -8.56114142
  H     11.02128305      3.59678823    -12.00816515
  O     14.68364552      4.44024495    -13.48284459
  H     13.40431583      4.55210568     -8.65633963
  H     10.75205668      4.76456676    -14.25732764
  O     10.65477451      4.26184746    -12.60155630
  H     18.08591606      7.84783659    -15.10814238
  H     10.10407346      4.79590526    -15.66140499
  O     10.80358905      5.17778165    -15.13846837
  H     17.67414080      8.49734875    -13.76848021
  H     12.56271238      5.56113847    -15.51583617
  O     13.48207956      5.85667126    -15.53283420
  H     18.77459757      5.75346511    -16.56700159
  H     13.49184434      6.75642992    -15.17436945
          69
 Energy    -248.23913243454615     
  O     11.10555319      8.81316233    -14.80917148
  H     10.72141832      9.51373992    -14.26823604
  H     16.59857361      6.89290098    -14.74429296
  O     16.87787665      7.52293621    -11.36675082
  H     11.12733444      9.14796300    -15.71453905
  H     17.36498962     10.82887982    -11.13875152
  O     16.22436295     12.25912996    -14.48595886
  H     17.38909410      6.76669365    -11.08880857
  H     17.57007101      9.31889194    -11.39109526
  O     11.53330704      9.81096461    -17.47271763
  H     16.76678790      7.44624934    -12.33062241
  H     16.33545294     11.26750500    -17.24136328
  O     13.96363833     10.95781360    -13.58099811
  H     16.83588742     11.51923145    -14.36969572
  H     14.95768241     10.66163363    -16.93137450
  O     12.74117649     14.31378028    -12.40581642
  H     15.90003349     12.18978006    -15.39459022
  H     10.52575968     11.32801343    -12.46530891
  O     14.05142946      7.90448561    -11.17024281
  H     11.86984863     10.72462859    -17.43542303
  H      9.14444175     11.09587171    -13.11734026
  O     11.97216576     12.67965984    -14.55395999
  H     11.01208396      9.74032880    -18.26780559
  H     16.21205751     12.15533533     -9.28755230
  O     16.59948536      8.03812171    -17.84391014
  H     13.24339965     11.48322566    -13.95043203
  H     15.30232298     11.47191642    -10.33568207
  O     13.84143088     10.61759040    -10.83866008
  H     14.78620136     11.39753431    -13.83018872
  H     13.62786246     12.21380009    -17.25769301
  O     17.03277189      5.94462850    -16.15465552
  H     13.70012669     14.15280392    -12.35007083
  H     12.43253616     12.52535093    -16.32046211
  O     16.35335583      7.51991740    -14.04784476
  H     12.61144571     15.24455136    -12.24460921
  H     17.98133590     10.09671006    -13.41116291
  O     17.89403740     10.19490559    -11.63664450
  H     14.99749578      7.71271181    -11.12952977
  H     17.28141967      9.09716391    -14.35094785
  O     15.42200483     11.50511163    -17.04009339
  H     13.80715149      7.83918352    -12.10004774
  H     15.78286348     13.40820088    -13.08194190
  O     10.08218805     11.03614967    -13.28188344
  H     12.19129195     13.34608215    -13.88876011
  H     15.73153566     13.27038698    -11.54634804
  O     16.13359165     11.96373341    -10.21889821
  H     11.21199523     12.18206973    -14.22380650
  H     13.25880439      9.17465998    -17.17115870
  O     12.66484410     12.25643029    -17.22094635
  H     17.16521645      8.80426888    -17.69323590
  H     14.03164018      8.69240158    -15.92700888
  O     17.77275802      9.92969604    -14.34330280
  H     15.70470835      8.31874659    -17.60758338
  H     11.84958975     12.88665848    -11.46973426
  O     15.39780129     13.79484757    -12.28409758
  H     13.85655053      9.65208647    -10.77698229
  H     12.20368615     11.51497226    -10.86793174
  O     14.14676537      9.00284866    -16.83214617
  H     13.88034352     10.81962125    -11.78633916
  H     18.92616182     10.68755002    -17.29464498
  O     11.46169689     12.05375169    -11.17344636
  H     16.92563343      6.62916975    -16.83785099
  H     18.06018918     10.23157720    -16.10013416
  O     18.04900999     10.39663687    -17.05787178
  H     17.02450257      5.10869911    -16.61187671
  H     12.73119053      8.26953859    -14.29516226
  O     13.67596319      8.29942945    -14.08065226
  H     15.40070694      7.67146103    -14.09732213
  H     13.85701135      9.22898002    -13.86429252
          69
 Energy    -248.23885930042488     
  O     -5.66096568      2.32614655      1.42362369
  H     -6.48979796      1.85630815      1.39123478
  H     -3.24984852      6.84148480     -0.50499902
  O     -1.41143017     -0.84149232     -2.60661900
  H     -5.36862423      2.32038952      2.35454800
  H      1.60515342      1.20701780     -2.38057966
  O     -1.92501591      3.65211852     -1.13500189
  H     -1.79909654     -1.29642859     -3.34946849
  H      2.34543899      2.18879742     -3.31849432
  O      0.70737022     -1.52963899      3.54567419
  H     -1.42121645      0.10816789     -2.82361471
  H     -2.05897053      1.64788845      3.69202719
  O      0.96897570      5.12446309      2.04556650
  H     -0.99916690      3.68328071     -0.85196754
  H     -2.41557829      0.17726195      3.99924065
  O     -1.53468619      2.58357603      2.25728530
  H     -2.32341792      4.49794305     -0.89838814
  H     -3.08002103      5.33199277      3.47497712
  O     -2.13911089     -1.33638484      3.02313062
  H      1.18650835     -2.33042412      3.74442173
  H     -3.89664389      5.86994093      4.67163517
  O     -1.19159516      1.81805130     -3.14959028
  H      0.82691534     -1.36176775      2.59612077
  H     -2.86774865      2.34679094     -0.30018224
  O     -1.93662679     -0.81137693      0.17594408
  H      1.32271410      4.48130710      2.67184611
  H     -4.09751572      1.87458693      0.56729866
  O      0.76201615     -0.81933387      0.88814449
  H      1.04465670      4.73214917      1.16632218
  H     -4.45730572      3.41217605      4.08570162
  O      0.42732613      1.00658233      4.90268654
  H     -2.15668531      2.25042986      1.59601471
  H     -4.00389808      1.94017624      4.23747224
  O     -3.06311473      5.99680964     -0.10428277
  H     -1.61109996      3.54463451      2.27851737
  H      1.16840123      3.23372859     -1.24417193
  O      1.62630559      2.12881890     -2.69538204
  H     -1.22127208     -1.52753154      3.25183247
  H      0.89860468      2.90984239      0.23733068
  O     -2.37660550      1.06080334      4.39573617
  H     -2.16930230     -1.29041844      2.05999531
  H     -5.42620928      4.19627366      1.28818099
  O     -3.92316942      5.24542471      3.95111154
  H     -1.57710345      2.48708884     -2.56980056
  H     -4.89092439      5.23951604      2.28563611
  O     -3.20520842      1.64667762      0.27708435
  H     -0.24139870      1.98889117     -3.14121058
  H      1.54197184      2.12075648      2.32941487
  O     -4.73706871      2.49931591      3.94676949
  H     -2.41942867      0.02591352      0.23816090
  H      0.07968437      1.99074830      1.86450430
  O      0.79237658      3.60078393     -0.43433286
  H     -1.82730806     -0.97216480     -0.76964667
  H      1.31306205     -0.65365418     -0.92138237
  O     -5.14868877      5.11780113      1.36304846
  H      0.93572116      0.10783572      1.11781987
  H      0.45874229     -0.70869397     -2.19500930
  O      0.99410467      1.78213540      1.61142311
  H     -0.17598676     -0.86643034      0.65000494
  H      2.71352298      3.14803345      4.43592533
  O      1.32599940     -0.44339470     -1.86350614
  H      0.61036574      0.14509399      4.50794272
  H      1.38648022      2.36554407      4.32706676
  O      1.94280375      3.03379129      3.88632598
  H     -0.53554580      1.06703931      4.94048007
  H     -2.06879478      5.68298655      1.47229061
  O     -1.72033847      5.39494469      2.32491964
  H     -3.87685513      5.70980764      0.34908647
  H     -0.75274458      5.43350516      2.28149169
          69
 Energy    -248.23876488782477     
  O      9.04332461     10.77647970    -12.23232344
  H      9.31260929     10.36698402    -13.07637057
  H     15.34200421     14.15459275    -12.42393677
  O     13.92662294      9.92341355    -12.96882026
  H      8.09952669     10.66310139    -12.16081654
  H     18.90191235     10.67709169    -14.15787161
  O     13.70368648      6.48894606    -14.66870290
  H     14.78652624      9.66908751    -12.61422972
  H     17.41558077     11.01598989    -14.41817472
  O     10.73865735     12.86575421    -13.05156330
  H     13.61205449     10.70024664    -12.48900419
  H     12.32855939     10.03166776     -9.89668037
  O     14.67743285     15.78188065    -13.12439468
  H     13.95861602      6.98130443    -15.45774242
  H     12.73580593     10.58842610     -8.51462975
  O     16.13135956     12.18190378    -14.72630920
  H     14.49239559      6.46313747    -14.11308546
  H     16.87692157      7.37859219    -14.71094950
  O     13.00176981     12.20811408    -11.66316269
  H     11.02605738     12.50716834    -13.90553805
  H     17.49608587      8.73384705    -15.10964854
  O     14.06687121     10.53548712    -15.60140291
  H     10.05532877     12.27382210    -12.71450474
  H     14.91294254     10.92846484     -9.93058433
  O     16.14478108      6.64323422    -13.11633527
  H     13.72481099     15.62589228    -13.25789873
  H     15.78144696     11.88194156    -10.79448249
  O     11.08544514      9.27138522    -10.86322205
  H     14.76707044     16.68079756    -12.81975778
  H     12.49193686     11.41757378    -15.60227995
  O     12.44654741     14.45642404    -16.45763985
  H     15.40386488     11.65451480    -15.08797419
  H     11.82346808     12.76355460    -15.93848657
  O     15.43760120     13.21674696    -12.21801295
  H     15.87671262     12.49285366    -13.84430745
  H     15.64706926      8.05198400    -16.42725257
  O     18.02404779     10.30408897    -14.15645033
  H     12.83989641     11.78691851    -10.80959717
  H     14.84245027      7.80291156    -17.72661601
  O     12.98323757     10.58765769     -9.43553878
  H     12.15974067     12.45346126    -12.06671040
  H     15.04368731     15.12364321    -14.88836970
  O     17.10019981      7.93180387    -15.47092579
  H     14.00223929     10.25036979    -14.67544435
  H     15.54523656     13.81790098    -15.52660275
  O     15.80520834     11.07347518    -10.26648611
  H     14.25090535      9.74642278    -16.12532911
  H     10.53876522     10.40219272    -15.01779750
  O     11.66306931     11.90996901    -15.51700090
  H     16.46996584      5.95913336    -12.53617971
  H     10.68012484      9.08941765    -14.19663031
  O     14.76417792      8.12500785    -16.83255347
  H     16.24007594      7.48313474    -12.63690787
  H     17.08544624      9.57614775    -12.70923357
  O     15.06270307     14.63112292    -15.71886331
  H     10.34811522      9.79859397    -11.19318014
  H     16.36544103      9.77509274    -11.33475802
  O     10.04311085      9.74559661    -14.51467021
  H     11.32482002      8.68253896    -11.59133839
  H     12.09349281     15.10444362    -14.68701719
  O     16.48612634      9.16145466    -12.07521559
  H     13.40312157     14.49434213    -16.27855937
  H     11.52023476     14.56962192    -13.36735432
  O     12.07395746     15.26914570    -13.73564506
  H     12.30064458     14.92968226    -17.27243041
  H     12.61228191      8.73796006    -13.12310118
  O     11.92426888      8.07164775    -13.27242578
  H     14.53591455     12.90688465    -12.03209158
  H     12.37432647      7.36563050    -13.75447276
          69
 Energy    -248.23863296338419     
  O     -0.14929485      0.20902231      2.31266712
  H     -0.82526865     -0.35157405      2.73124270
  H     -4.34959048      0.66330736      1.98272683
  O      1.38938686     -0.81089749      6.26640695
  H     -0.62395349      0.94768571      1.91444174
  H     -2.93920047      5.05749550      5.94072496
  O     -5.01153377     -3.06389247      3.15016017
  H      1.35529475     -1.49366144      5.57215563
  H     -3.52738683      4.17932017      4.81260966
  O     -4.00375701     -1.07339763      1.40516851
  H      2.16125164     -0.99585140      6.79455455
  H     -2.27060720      2.58806833      6.17413821
  O     -2.49787038     -1.35331487     -0.97348140
  H     -4.34870384     -3.73370502      2.94096478
  H     -1.15748618      1.57831137      5.80892258
  O     -1.80014915      2.31854107      1.48006256
  H     -4.88792929     -2.37517186      2.48445771
  H     -4.67509987      3.10357097      3.12126902
  O     -1.56016838      1.21649205     -1.02334587
  H     -3.60285569     -1.19528338      0.53771183
  H     -5.38893176      4.46170927      3.04489559
  O      1.15223110     -2.04005162      1.50430504
  H     -3.29528162     -1.21190912      2.05434536
  H     -0.33957464     -0.89021112      7.11263195
  O      1.19902322     -2.67317317      4.31938256
  H     -2.83474737     -1.54662465     -1.84507869
  H     -1.53344524      0.06193465      7.27481733
  O     -1.33729211     -3.72691505      4.51353961
  H     -2.13094834     -0.45375410     -1.01124204
  H     -1.34873032      4.00044595      4.20444557
  O     -2.85100295     -4.78786440      2.38853935
  H     -1.39681051      2.91399698      2.12893746
  H     -0.16286244      3.03303139      4.05093728
  O     -4.26969148      1.44940131      2.53772497
  H     -2.65595759      2.04935236      1.83884057
  H     -1.83604806     -2.09469799      3.84200594
  O     -2.79795513      4.25072351      5.45165260
  H     -1.08406084      1.80899781     -1.59962808
  H     -2.65019046     -0.77625254      4.06787842
  O     -1.95909405      1.69053062      6.34166093
  H     -1.65771368      1.68839787     -0.18041967
  H     -3.62220461     -2.75307808      6.48617824
  O     -4.75563207      3.96635083      3.55800103
  H      0.77037941     -1.17116935      1.71945293
  H     -2.25405787     -2.29862554      7.06231150
  O     -1.24386178     -0.84166795      7.44591828
  H      1.92220977     -1.87588215      0.96564211
  H     -6.08112241     -2.27248204      6.03337968
  O     -0.68033911      3.69800010      3.57819956
  H      0.36235325     -3.14917461      4.43162193
  H     -5.18003336     -2.45206210      4.78916492
  O     -2.09635018     -1.25723873      3.43983641
  H      1.29730861     -2.53276600      3.37213854
  H     -0.42199325     -2.98154642      0.97700094
  O     -2.74185025     -3.06463328      6.72236737
  H     -1.83756418     -3.61589912      5.33834892
  H     -1.64763034     -2.68682722      0.08982169
  O     -5.22064900     -2.06197653      5.68089093
  H     -1.86423697     -4.24501760      3.89527605
  H      0.83036201      0.70536520      5.36703817
  O     -1.27801445     -3.33269717      0.70340976
  H     -2.30098978     -4.28417578      1.76170439
  H      0.27634743      0.94863328      3.94877462
  O      0.37748955      1.35899950      4.81865818
  H     -2.88647234     -5.68322150      2.06218706
  H     -3.27746666      0.69874534      5.58835090
  O     -3.86465112      0.26415007      4.95556395
  H     -4.17203567      1.10713348      3.44108172
  H     -4.36208830     -0.44365159      5.38314214
          69
 Energy    -248.23838746103240     
  O     -8.00848520     -1.44237564      2.03552988
  H     -7.99740380     -2.13615143      1.38048224
  H     -9.55093971     -0.79023031      2.87966976
  O     -7.23946391      6.38970647      6.06370894
  H     -7.59065462     -0.66306465      1.62539628
  H     -8.75008815     -0.04494496      6.12135413
  O     -5.76093182     -1.25370329      3.85576935
  H     -7.88567431      6.29080842      5.34063029
  H     -9.90229875     -0.08359584      5.08125592
  O    -11.04658180      4.03017197      4.44624451
  H     -7.37893223      7.25211696      6.44444085
  H    -13.34484901      1.88027310      4.44670792
  O    -12.19990593     -0.45548845      7.01897715
  H     -5.27143356     -0.51625905      3.47119101
  H    -14.45695226      2.94697768      4.31422867
  O     -7.42814605      2.32527287      4.41830068
  H     -6.50239295     -1.42602582      3.26247792
  H    -12.05825051     -0.06787534      3.84923492
  O     -5.39496394      1.89326900      7.09794529
  H    -10.66839389      3.65211227      5.25459023
  H    -12.76698154     -0.13593799      5.21600081
  O    -10.11597592      2.75932948      6.74887556
  H    -11.97446836      3.76377767      4.43993854
  H     -7.19214877      1.54693331      0.77049205
  O    -12.76082914      2.33922479      7.38458326
  H    -12.23563771     -1.22078987      7.58677655
  H     -6.01244217      1.01886127      1.63333535
  O     -3.83115079      2.89728827      4.86648128
  H    -11.26710347     -0.33598052      6.76948856
  H     -8.85731270      3.31707346     -0.23140084
  O     -5.10893891      5.25639835      4.49073339
  H     -7.45212296      2.90284216      5.19468157
  H     -8.89557717      2.80920800      1.23201371
  O    -10.25656940     -0.27416571      3.28813114
  H     -7.23457735      1.44735065      4.76676715
  H     -8.85886551      2.28067952      3.34628907
  O     -9.70580378      0.07009594      6.01536767
  H     -4.82310230      2.20396785      6.38663448
  H    -10.24232275      2.96073133      3.24552807
  O    -13.56767745      2.81060843      4.62990922
  H     -6.08715657      2.56444623      7.18480113
  H     -6.50194389     -0.56713288      5.33313128
  O    -12.85957953      0.20145402      4.31581293
  H    -11.00323360      2.73290771      7.13456043
  H     -6.37568104      0.52272946      6.46239519
  O     -6.74867669      0.74599273      1.07205500
  H     -9.91105587      1.85253097      6.48162599
  H     -4.32502232      1.74187438      3.52123529
  O     -8.30364338      3.04899083      0.49693518
  H    -13.16084104      2.57515072      6.53868640
  H     -3.66285987      1.04182713      2.32304373
  O     -9.64237041      2.36318744      2.77981754
  H    -12.69756380      1.37505326      7.38300450
  H     -7.46059617      4.66576142      6.70762942
  O     -6.99833580     -0.01979790      5.95718390
  H     -2.93782169      3.07853942      5.14963380
  H     -8.45971753      3.48498364      6.96547543
  O     -4.49136834      1.12599341      2.79178266
  H     -4.26697899      3.76156519      4.76118842
  H     -7.25464242      4.04686755      1.73061575
  O     -7.52694961      3.71284515      6.84287537
  H     -5.69839883      5.71483821      5.10027716
  H     -6.97125984      3.59768787      3.18304960
  O     -6.90413013      4.35050530      2.57488327
  H     -5.63341212      5.09603738      3.69330061
  H     -9.70208346      5.32274487      4.10089363
  O     -8.90096521      5.85187050      4.00177244
  H    -10.11709083      0.64302026      3.00917528
  H     -8.31592304      5.37445119      3.40013090
          69
 Energy    -248.23811671361941     
  O     15.04167436      9.52376360    -10.47216379
  H     14.52891278     10.09811455    -11.05548688
  H     14.11346583      6.81881906     -9.25044657
  O     12.18961983     10.46680948    -15.67962933
  H     14.44029122      8.85423723    -10.10968559
  H     17.51126187      8.13982268    -13.30311825
  O     16.14749804     11.53085754    -13.64903989
  H     12.17382770      9.73938802    -15.04501924
  H     17.74492757      8.82126131    -14.67627511
  O     14.12591638      4.56758830    -13.11341511
  H     12.10888884     11.27309039    -15.15470467
  H     13.23620131     13.03110838    -14.55679706
  O     17.95549320      6.95830589     -9.13991582
  H     15.35333179     11.26138287    -13.17020359
  H     11.95047987     13.62265959    -13.92828698
  O     14.72988324     13.10414918    -15.46828682
  H     16.91773929     11.35177245    -13.09080897
  H     12.35789418      7.81870927    -13.05271114
  O     16.03778908      7.61570523    -12.30432213
  H     14.77736742      4.56523606    -12.39694966
  H     13.36411255      8.17176681    -14.16496512
  O     13.67747886     10.82458591    -12.47180067
  H     14.64698848      4.63986509    -13.92042083
  H     14.09334487     10.89295818    -18.19848230
  O     18.33543842     10.68399736    -12.22558397
  H     17.94789062      7.90310480     -9.34061091
  H     13.56813057     10.67440376    -16.76092313
  O     18.38644217      5.62333886    -14.09684941
  H     18.39515258      6.51426238     -9.87281170
  H     11.46399093      5.76041883    -11.89628873
  O     15.98923168      5.06458902    -15.26123527
  H     14.67652693     12.48417260    -16.20535095
  H     12.90340037      5.63756632    -12.44064976
  O     13.50869529      7.43611038     -9.68031570
  H     15.36279868     12.71533262    -14.84678182
  H     15.59061495      5.42019731     -7.66745158
  O     18.20006551      8.40553816    -13.93271755
  H     15.51167489      7.60520791    -13.11565143
  H     16.42436470      6.25864096     -8.66668456
  O     12.43891687     12.81223502    -14.04099204
  H     15.68019577      8.29299625    -11.71749917
  H     15.78955037      5.18703522    -10.25959187
  O     12.62131679      8.52681871    -13.65075711
  H     13.19593378     11.56688172    -12.85639319
  H     16.04198271      5.97806382    -11.57432759
  O     14.36357829     10.87908295    -17.28423639
  H     13.28985364     10.02084946    -12.84835151
  H     19.19546848      4.31337475    -10.96855358
  O     12.28157814      6.24192681    -11.99900771
  H     18.21218001     10.34973236    -11.32973621
  H     17.81777158      4.95375058    -11.25502457
  O     15.56833833      5.81062179     -8.53675621
  H     18.52870085      9.91609440    -12.77869439
  H     15.22701104      6.73190058    -15.11382024
  O     16.03723542      5.08619296    -11.18707537
  H     18.63913066      5.40078200    -13.19385375
  H     15.40684814      8.28764013    -15.22718248
  O     18.77735060      5.10914722    -11.29065558
  H     18.49562475      6.58229017    -14.16218155
  H     17.70259081     10.36276437     -8.91115284
  O     14.86508412      7.58421782    -14.84228244
  H     16.85649320      5.20731219    -14.84193664
  H     16.67372843      9.71481572     -9.86798594
  O     17.61499082      9.72901000     -9.61959799
  H     16.14775555      4.54278851    -16.04340542
  H     15.80393588     10.06191903    -16.40098065
  O     16.37973862      9.71140646    -15.70987398
  H     13.09926627      6.97269708    -10.42109455
  H     16.34017543     10.35835834    -14.98782569
          69
 Energy    -248.23779454091346     
  O     16.81309150      9.96354576    -16.16853908
  H     16.72790699      9.56359662    -17.04245711
  H     17.61328038      4.57899761    -10.71935204
  O     15.33006854      5.11381657    -12.89418381
  H     16.85270796      9.20887831    -15.55750417
  H     18.90028145      9.86998232    -16.23368068
  O     16.71239152     13.11984196    -11.44383638
  H     15.58704203      5.03294372    -13.82358521
  H     19.67195670      8.63703383    -16.71425096
  O     19.67679287      8.14995948    -13.73321780
  H     14.90941242      5.97816650    -12.81117036
  H     17.91487617      7.81529164    -14.21614825
  O     14.61455622      6.38811233    -17.55910677
  H     16.79743517     12.71513714    -12.31709084
  H     16.82163716      6.91094248    -14.87404160
  O     16.16358361     10.19951021     -9.21888157
  H     15.84340845     12.85988793    -11.11279664
  H     14.90657694     10.42461829    -15.93721707
  O     14.76024903      7.92069267    -12.92120750
  H     19.85165170      8.63756121    -14.55247770
  H     13.93131544     10.65613417    -14.76872971
  O     16.94923510     11.34996963    -13.66425221
  H     19.45422009      8.79117128    -13.04598943
  H     15.96113828      7.94171093    -11.46587534
  O     19.41632384      5.42584465    -13.57536094
  H     13.95369236      5.89462646    -18.03739237
  H     17.10248017      7.06020028    -10.91371647
  O     18.89767370      4.70351468    -16.11950701
  H     14.14929180      6.86722940    -16.84678162
  H     13.71117975      7.62402127    -14.63647139
  O     16.26191209      5.28985804    -15.53909228
  H     16.32451927      9.34545290     -9.63944837
  H     13.52226295      8.69709139    -15.71306798
  O     17.56685497      5.28452642    -11.36009065
  H     16.99607812     10.68576355     -9.27268558
  H     19.09387096     12.33852025     -9.41050099
  O     19.74691709      9.42288276    -16.14960618
  H     15.55669470      7.90424459    -13.47902756
  H     17.89968839     12.35854639    -10.39742777
  O     16.99259266      7.78524952    -14.50071516
  H     14.48502680      8.84668565    -12.85996956
  H     17.90635180      9.16766241    -11.52870764
  O     13.96929540     10.44258396    -15.71068607
  H     17.01447405     11.06803015    -14.58283725
  H     18.66254284     10.48073830    -11.19099916
  O     16.71984484      7.94528939    -10.86801850
  H     17.54647851     10.79483465    -13.14136458
  H     14.93395790     11.24205011     -9.90929704
  O     13.47134777      7.74100960    -15.55976614
  H     18.84703167      5.32220812    -12.80529198
  H     13.70296840     12.16722302     -9.74747740
  O     18.47484776     11.77674093     -9.86811461
  H     19.67983926      6.35837678    -13.58759484
  H     18.23493910      7.40373075    -17.92031056
  O     18.50483447      9.83646873    -11.89174780
  H     19.13980978      4.92058843    -15.19986361
  H     19.04334029      6.32225307    -17.15885496
  O     14.34867223     11.86288117    -10.37922575
  H     19.44224732      3.96593150    -16.38061544
  H     15.26684412     10.90751313    -13.15345179
  O     19.12040178      7.16280646    -17.62484670
  H     15.73548415      5.53441471    -16.30901828
  H     14.19292659     11.07796573    -12.05338014
  O     14.36758991     10.64976024    -12.89977057
  H     17.12138635      4.96553630    -15.84162732
  H     15.83689170      7.59700799    -18.16144661
  O     16.52809137      8.23073732    -18.40819672
  H     16.75933305      5.13510407    -11.88399204
  H     16.40143550      8.42896037    -19.33381694
          69
 Energy    -248.23761897796524     
  O     -1.76154658     -2.79874673     -1.23332753
  H     -1.97721595     -3.58749745     -1.72578914
  H      3.19278574     -0.28170533      3.44979522
  O     -2.13769738     -0.79330294      1.95577982
  H     -1.65536523     -3.07418115     -0.30786750
  H     -4.20435718     -3.68157980      4.97406415
  O     -5.54833309     -3.34019002      2.01710748
  H     -1.81274657     -1.69172913      1.81981051
  H     -3.21572176     -4.46135897      4.09404202
  O      1.42036661     -2.38506946      5.42839818
  H     -3.06172289     -0.78478124      1.67152000
  H     -4.55999984     -0.86596252      5.51570274
  O      1.52265152     -2.61628430      1.65340555
  H     -6.20752972     -4.00156517      1.82465535
  H     -3.62391076      0.17352153      4.89464841
  O     -3.91790907     -2.48345434      6.42408912
  H     -5.05798287     -3.67070664      2.78804740
  H      0.27124342      2.15527146      3.01856571
  O     -4.78250838     -0.88432149      1.11669712
  H      1.55417285     -3.20604491      4.94046147
  H      0.53415007      1.39902220      1.70858195
  O     -0.49978411      0.77195758      0.34188979
  H      1.70787400     -1.68091729      4.83228867
  H     -4.10805121      2.17816606      2.19650080
  O      0.76728462     -1.49365496     -0.71575235
  H      1.41564387     -2.25387520      0.76025766
  H     -3.16665538      2.45919931      0.99423271
  O     -1.85662851      0.28709428      4.45036907
  H      1.77545503     -1.88254289      2.22943264
  H      1.57372449     -3.98086500      2.83433734
  O     -1.17704781     -3.33516547      1.42074420
  H     -2.96293447     -2.36457163      6.28364922
  H      2.09567408     -5.31584690      3.41042128
  O      2.27847360     -0.55349187      3.41510537
  H     -4.03279566     -2.67810026      7.35101825
  H     -6.44809992      1.54474068      3.04131028
  O     -4.14989561     -4.23775639      4.18718659
  H     -5.09464814     -1.74965887      1.42235600
  H     -5.29418226      0.72458884      3.66605701
  O     -4.55944274     -0.03116583      5.03679637
  H     -5.19234945     -0.20471150      1.66483151
  H     -2.90020179     -1.24165623     -1.35748945
  O      0.92993120      1.61829097      2.56394992
  H     -1.10570623      1.33282773     -0.15506532
  H     -4.07381225     -0.66764862     -0.53762286
  O     -3.30494107      2.64161160      1.93146326
  H     -1.06356676      0.23050994      0.91611360
  H     -2.00965014      2.87728459      3.06604335
  O      1.48419033     -4.60276052      3.57604065
  H      0.43477601     -0.62790189     -0.43850016
  H     -1.39934014      3.78516277      4.16006580
  O     -5.59896997      1.15708762      2.84753388
  H      0.00425266     -1.94433032     -1.09522979
  H     -0.40283492     -4.59114378      3.94039652
  O     -3.50729498     -0.49502517     -1.30455118
  H     -1.93058477     -0.07884351      3.55444587
  H     -1.33594047     -3.53476265      4.57676226
  O     -1.30182377      2.93855682      3.73342585
  H     -1.59844892      1.20999686      4.35264858
  H     -1.44117800     -1.20976632      5.31564821
  O     -1.32544781     -4.31683082      4.00517902
  H     -0.24198676     -3.08761543      1.46419501
  H     -0.32547174     -2.18013835      5.78394809
  O     -1.28563308     -2.07692280      5.71879751
  H     -1.38193945     -3.76691712      2.25985248
  H     -2.88311044      2.59807386     -1.57673167
  O     -2.72389945      2.04518684     -0.81684551
  H      1.77072988      0.23753682      3.16242338
  H     -3.02447902      1.14879802     -1.05421855
          69
 Energy    -248.23745814367805     
  O     -2.36425550      4.48828328      2.46510720
  H     -2.21279589      3.69327422      3.00485704
  H     -3.92529988     -3.01404721      1.99468816
  O     -4.20496171     -0.77085191      5.49370685
  H     -2.26670705      5.23767296      3.04731820
  H     -5.05275649     -1.41870066      1.18500166
  O      0.91548451     -3.17052148      1.69753363
  H     -3.27342409     -0.52685772      5.64254737
  H     -4.28181517     -0.11731953      0.87985846
  O      1.05863583      1.97923881      0.06406057
  H     -4.57027405     -0.99363538      6.34551121
  H     -5.31349819      3.23334698     -0.00905587
  O     -4.87600536      3.34589427      1.66952576
  H      1.79045076     -3.54742176      1.63923665
  H     -6.06828275      3.88065102     -1.19392762
  O      0.13056038      0.15986507     -1.92989355
  H      0.66273531     -2.94109259      0.79163981
  H     -2.60538252      2.07613164     -2.28829186
  O     -0.90476146      3.81665430      0.09680034
  H      0.39713508      2.69628361      0.06572251
  H     -3.73521272      2.76737904     -1.43467418
  O     -2.59319421     -2.27336579     -0.84133786
  H      1.91615708      2.39428836      0.09206961
  H     -1.50862771      1.63407406      3.12179372
  O     -0.55448165     -1.62036797      3.47446357
  H     -4.95408467      2.63704399      2.31944391
  H     -2.98890334      1.72945500      3.60602813
  O     -4.70835076      1.08172525      3.41916229
  H     -4.06885453      3.82495189      1.89214322
  H     -2.56117818     -0.51333774     -0.22172964
  O     -3.20216796     -2.55359391      3.46286022
  H      0.48493449      0.76877349     -1.27011680
  H     -2.71697374      1.04651686     -0.35185081
  O     -4.36424454     -3.18121259      1.13926935
  H      0.21187390     -0.72630539     -1.56013153
  H     -3.30161215     -0.35248944     -3.17991076
  O     -5.14492315     -0.45873504      1.16577134
  H     -1.36743134      4.11889305      0.88646413
  H     -4.64765768     -0.52002166     -2.42258933
  O     -5.47185090      3.17201236     -0.96871494
  H     -1.58156398      3.44876064     -0.48980375
  H     -1.32348049      0.52288693      1.36364561
  O     -2.80323332      2.51457887     -1.45103429
  H     -3.20362742     -2.66546534     -0.20502060
  H      0.12197706      1.08007603      1.40532234
  O     -2.09966129      2.08894489      3.74107890
  H     -3.10207734     -1.94380962     -1.60062661
  H      0.29009594     -3.16432663     -1.65232753
  O     -2.65679962      0.31175178      0.27227295
  H     -0.01246261     -2.25595690      2.98937705
  H     -0.88403089     -2.50631339     -0.89742402
  O     -3.90679209     -1.00733766     -2.81427977
  H     -0.51777877     -0.80546819      2.95194415
  H     -1.15288390      0.63545659     -3.01211922
  O     -0.56352137      0.67626675      1.94819853
  H     -4.94604573      0.51147446      2.67304420
  H     -1.56875568      1.09479760     -4.43044564
  O      0.08799033     -2.55262328     -0.94752037
  H     -4.67936448      0.50610228      4.19332614
  H     -1.11336853     -0.64948371      5.01125207
  O     -1.90860288      0.92270833     -3.55650279
  H     -3.63079085     -2.02808775      4.14690066
  H     -1.63688826      0.79785816      5.12498934
  O     -1.59170412     -0.04448054      5.59503487
  H     -2.27261077     -2.28757159      3.45873606
  H     -5.85651400      1.34267605     -1.35811359
  O     -5.88446152      0.38271750     -1.44247521
  H     -4.85337457     -3.99389126      1.23079095
  H     -5.81601986      0.04952973     -0.53839450
          69
 Energy    -248.23732114503377     
  O     -9.82199805     -2.67181778      4.75792744
  H    -10.25100214     -3.39245774      5.21266304
  H     -8.42377284      0.09775020      3.79070496
  O     -7.68710861     -1.88339140      1.22117335
  H     -8.94042866     -2.57556736      5.16067474
  H     -7.59099918     -1.35109429      6.53760777
  O     -4.71986592      2.28438736      1.71158898
  H     -8.57913068     -2.24336517      1.32064576
  H     -6.65365594     -1.92886686      5.46754867
  O     -8.03593251      0.40481253      7.21813364
  H     -7.66353739     -1.13926042      1.84173951
  H     -2.11090207      3.88719527      5.39737955
  O     -6.53980730      5.77577341      3.93898833
  H     -4.52990373      1.51707034      1.15438501
  H     -3.30370416      4.09140137      4.43039182
  O     -8.94948019      1.30035762     -0.26452027
  H     -5.67664643      2.42576799      1.65647761
  H    -10.78748812      1.72073843      2.66270293
  O     -5.41806950     -1.16132760      4.33018320
  H     -7.54137638      1.10389135      6.75617154
  H    -10.46731342      1.52461502      4.13997948
  O     -4.04424985      4.69490985      2.98310498
  H     -8.11210745      0.67843184      8.12850060
  H    -10.29962092      0.69376767      0.66623321
  O    -10.27003469     -2.31981499      1.91999843
  H     -6.91116834      6.63512021      3.75419377
  H    -11.82800444      0.50392818      0.75660630
  O     -4.58037862     -0.05736159      0.26623973
  H     -7.28163734      5.14810932      3.93569028
  H     -6.00183302     -2.39486728      1.59983262
  O     -4.47390671      1.42340418      4.33826543
  H     -8.31394709      0.72775675     -0.70783519
  H     -4.77732650     -3.33912095      1.65083329
  O     -7.67249632      0.05687673      3.18708871
  H     -8.43240793      1.83636054      0.35345091
  H     -7.31132593     -1.14112153     -0.36570531
  O     -7.44422820     -2.12969391      5.98662391
  H     -4.92939028     -0.32735853      4.38587751
  H     -7.13675079     -1.19920205     -1.90177264
  O     -3.02996385      3.67104947      5.26735191
  H     -5.13863883     -1.62185784      3.52908186
  H     -9.32042638      0.23051941      5.89359281
  O    -10.60348095      2.21140594      3.47125377
  H     -4.21674958      3.93908207      2.40422577
  H    -10.00447362     -0.84006437      5.00111595
  O    -11.01797480      0.39047145      1.24908704
  H     -4.89885412      5.09498737      3.18527068
  H     -4.57707075      4.39411926      6.14871042
  O     -5.06189435     -2.44876942      1.84248718
  H    -10.18164801     -2.44270385      2.87316689
  H     -5.79326294      5.19235561      5.64103498
  O     -7.02745465     -0.63060965     -1.14313629
  H    -10.58629882     -1.41748695      1.77821424
  H     -6.36623481      3.13376112      6.14071192
  O     -9.82518231      0.10559540      5.07963261
  H     -5.33239376     -0.14757141     -0.33203748
  H     -6.03283327      1.93317265      5.22752981
  O     -5.47601449      4.66080302      6.38227569
  H     -4.57210466     -0.86583926      0.79067146
  H     -7.80410346      3.05165352      2.42922280
  O     -6.73130434      2.31310855      5.77588437
  H     -3.88581212      2.06078055      4.76099894
  H     -7.51759645      1.55690294      2.23532575
  O     -7.45143962      2.41847221      1.79355257
  H     -4.54316185      1.68782993      3.40874421
  H     -9.27130970      3.34546341      3.84180119
  O     -8.42472103      3.78077234      4.02562505
  H     -6.92795246     -0.32726294      3.66825007
  H     -7.93965260      3.21709121      4.64405756
          69
 Energy    -248.23724287162554     
  O     -3.23905796     -3.58892770      0.59681771
  H     -3.06836939     -2.81480170      1.15255519
  H     -1.23259996     -0.05185034      4.20947116
  O     -0.24021535      0.99595063      3.25201810
  H     -4.06872379     -3.40432251      0.13807526
  H     -1.70946056      0.42329148     -1.29565331
  O     -5.40516572     -2.60318264     -0.89849371
  H      0.63511433      0.62177601      3.08130116
  H     -3.13486000      0.74097718     -0.73016460
  O     -1.51225303     -3.38509204     -1.64118097
  H     -0.49321742      1.45622921      2.44370834
  H      2.64792396     -0.14751823     -2.90880823
  O     -0.43684999     -0.81968777     -1.32018080
  H     -4.91197720     -2.56039178     -1.73831500
  H      2.57448435     -0.97836026     -1.60258669
  O     -3.83704352     -2.47015719     -3.08951778
  H     -6.29592718     -2.86368142     -1.11466740
  H      2.04633619      1.00959694     -0.65288935
  O     -4.37058972     -0.12802348      0.16785018
  H     -2.09586035     -3.48840284     -0.87521008
  H      1.06660486      1.80263521      0.25465912
  O     -0.74127874      2.32166373      0.71070835
  H     -1.20871293     -2.46513211     -1.64678916
  H      3.27886472     -3.07481025      2.46565530
  O     -0.38548442     -3.05262870      3.78958496
  H      0.41231039     -0.60433307     -1.72748271
  H      4.73743919     -2.56037441      2.47268453
  O      0.06133401     -1.82998193      1.25029232
  H     -0.24668020     -1.05723998     -0.40295564
  H      0.85947078     -4.79741566      0.17858615
  O      2.06698611     -0.25990996      2.28829421
  H     -3.63376932     -1.56871890     -3.37708496
  H      0.08876612     -3.95227794     -0.89238942
  O     -1.78754235     -0.72930616      4.63929566
  H     -3.00401000     -2.87321079     -2.81949984
  H     -0.14704386     -5.87091207      1.75116189
  O     -2.36953937      1.12610818     -1.18814372
  H     -4.82048923     -0.89744430     -0.20000190
  H      0.75731194     -7.07876031      1.39652639
  O      2.17126400     -0.23497149     -2.08824575
  H     -3.82556322     -0.46228933      0.89378168
  H     -2.25060684     -4.73607000      1.71474401
  O      1.96840722      1.46368855      0.19489584
  H     -0.91330914      3.26024597      0.75462109
  H     -1.35173470     -4.48927377      2.95445259
  O      3.87591286     -2.39909926      2.09727461
  H     -1.35760503      1.96433840      0.05198271
  H      1.76372903     -4.94482199      2.56060785
  O      0.87729439     -3.97922451     -0.33333417
  H     -0.83952853     -2.36237590      4.28657214
  H      1.33084583     -3.84861371      3.54816095
  O      0.74074926     -6.12699955      1.43885621
  H     -0.22515459     -2.66878947      2.91589039
  H     -2.99781470      0.66278081     -2.89518895
  O     -1.61404747     -5.15633543      2.30704646
  H      0.41205840     -2.60128636      0.78217639
  H     -3.59153174      0.88739099     -4.29187564
  O      2.09720030     -4.20301422      3.07926515
  H      0.79277333     -1.28993263      1.58459154
  H     -1.68076165     -1.33945233      1.68282568
  O     -3.27165103      0.20700996     -3.70402826
  H      2.19087738      0.37095274      1.55993381
  H     -2.52883193     -1.10633087      2.94594016
  O     -2.59240124     -1.27857657      1.99925256
  H      2.80449872     -0.88027309      2.28917076
  H      2.39111951     -2.99801942     -0.64814934
  O      3.08883646     -2.32745713     -0.65819666
  H     -2.14389767     -0.33492466      5.43003709
  H      3.47008061     -2.33153075      0.22700212
          69
 Ord_Energy   -248.237183    
 O   -5.44709396      -1.42762876       3.87320805    
 H   -5.32759190      -1.10497415       2.96612692    
 H   -6.22777224     -0.973477721       4.21021032    
 O   -3.22407365       2.12667298       3.71159744    
 H   -4.19228983       2.12833881       3.72836447    
 H   -2.95753860       3.03803754       3.53938031    
 O   -7.64997005      -1.59129417      0.229420185    
 H   -7.48821163      -1.44583189     -0.715460300    
 H   -7.57886744      -2.53899765      0.389061004    
 O   -8.52727032      0.471001536       1.88086236    
 H   -8.37738132     -0.288837045       1.30220544    
 H   -8.04066372       1.20204902       1.47788739    
 O   -2.81910157     -0.562207162       4.48289824    
 H   -3.71472383     -0.918540597       4.41613913    
 H   -2.90241647      0.394840360       4.37600040    
 O   -4.26227236      -7.61652216E-02  -2.50632763    
 H   -3.92313504     -0.947272241      -2.23027873    
 H   -3.86117697      0.118752398      -3.34969378    
 O   -3.17210197      -2.64983821       1.01985216    
 H   -2.40617347      -2.30793262       1.49785411    
 H   -3.85579228      -1.96273851       1.06495655    
 O   -7.70057726      0.194416240       4.43934345    
 H   -8.07405376      0.257151037       3.54052949    
 H   -8.43611526      0.191115335       5.04532623    
 O   -4.32535839       1.57239544     -0.260300905    
 H   -3.50555849       1.39065897      0.233427763    
 H   -4.29616928       1.08065760      -1.09133220    
 O   -6.47858715       5.23973036      0.901616752    
 H   -6.22045660       5.28173494       1.84045696    
 H   -7.01940727       6.00447655      0.726505041    
 O   -2.23525882       1.04206622       1.32022882    
 H   -1.77489340      0.231761888       1.56275439    
 H   -2.54632950       1.42306244       2.15390372    
 O   -5.98965073       2.29629755       3.63453627    
 H   -6.23340607       2.30471563       2.69812965    
 H   -6.54698801       1.63343537       4.05738926    
 O   -5.20997620      -3.90237975       2.48897362    
 H   -4.39549923      -3.66881084       2.02251506    
 H   -5.35534334      -3.18963242       3.12444401    
 O   -7.05516958      -4.35737705      0.582988620    
 H   -7.68236542      -4.99937677      0.905102253    
 H   -6.39487648      -4.23299742       1.28906548    
 O   -5.57384729       5.08443069       3.45776868    
 H   -4.61108780       5.10760784       3.38731599    
 H   -5.79364538       4.17699146       3.70976734    
 O   -5.91709232      -4.10098267      -1.96512032    
 H   -6.29122448      -4.24617767      -1.08217502    
 H   -6.04987717      -4.90953684      -2.45459437    
 O   -6.83812666      -1.39808810      -2.37707973    
 H   -6.54427338      -2.31770086      -2.40705609    
 H   -6.04310083     -0.863585114      -2.48888898    
 O   -6.73559856       2.44487786      0.924762666    
 H   -6.78647423       3.40497208      0.831227064    
 H   -5.95130014       2.15787625      0.439182580    
 O   -1.18356359      -1.36327195       2.48688436    
 H  -0.310691297      -1.56295609       2.81269526    
 H   -1.72701335      -1.12698901       3.26138639    
 O   -2.79566169       4.76772499       2.82826734    
 H   -3.07039785       4.62645483       1.90480423    
 H   -2.03162599       5.33736563       2.80329061    
 O   -3.51849961      -2.55974603      -1.73297179    
 H   -4.25795650      -3.16615415      -1.85861301    
 H   -3.25721312      -2.65653706     -0.806574404    
 O   -3.81497955       4.37276173      0.319433153    
 H   -4.70541191       4.74408197      0.367648214    
 H   -3.91915345       3.47107792      -4.53008991E-03
 O   -5.17972326     -0.733694255       1.20576608    
 H   -6.03921032     -0.993464351      0.846961021    
 H   -4.90388966       7.06565231E-02  0.756657779    
          69
 Energy    -248.23706270662262     
  O     13.71256811     11.27300533    -14.43974251
  H     14.12577737     11.06218555    -13.59369047
  H     16.11302519      5.27687687    -16.02808255
  O     14.82354629      5.35734990    -17.25502514
  H     14.25773503     10.86461992    -15.12876129
  H     13.34310169      7.97707040     -9.68241306
  O     13.01504414      5.97678315    -12.10060846
  H     14.45676493      6.21451720    -17.50407483
  H     13.40470260      6.62028201    -10.40571997
  O     16.35702243      6.68120149    -10.18914620
  H     14.13686141      4.88986634    -16.76426354
  H     14.23797035      8.75020081    -13.02389630
  O     13.16456426      3.84386020    -15.42209232
  H     12.06146622      6.03443532    -12.22917999
  H     15.04140589      7.90340470    -14.02622904
  O     11.14687873     10.50888799    -14.55996363
  H     13.41859000      6.70034097    -12.60700373
  H     15.83636032      9.32101743    -15.87728982
  O     13.68344509      7.92339694    -17.82543400
  H     16.66082794      7.54653727    -10.47743283
  H     14.78188373      9.33153268    -16.98559253
  O     18.88250868      8.18587586    -13.03765969
  H     15.44502507      6.80820386     -9.88627374
  H      9.50215287      5.88958299    -12.32384605
  O     12.21357533      8.12513017    -15.52606907
  H     13.74784723      3.90634531    -14.64887580
  H     10.42912903      6.07352786    -13.55101153
  O     16.90384091      4.30967433    -11.32209392
  H     13.08632608      2.91379124    -15.62449276
  H     10.64005221      8.19011234    -12.30365636
  O     18.61004209      5.51244720    -13.24616113
  H     10.59706428     11.22382996    -14.86681479
  H     10.93181705      9.58021556    -12.92920775
  O     16.60682965      5.29214133    -15.19467442
  H     12.06025572     10.85145387    -14.51806156
  H     14.16620820      4.81736208    -12.79035121
  O     13.70633923      7.08687613     -9.61366924
  H     13.09238260      8.00871139    -17.05803728
  H     15.53501790      4.13428275    -12.58448578
  O     14.18713316      7.96129679    -13.57977267
  H     13.15727300      8.10966195    -18.59954829
  H     11.36973309      6.51400421    -15.37778122
  O     15.22731426      9.90338183    -16.35130461
  H     18.84117469      7.21193738    -13.05557496
  H     11.67654740      5.00375585    -15.25000193
  O     10.27095361      6.36053270    -12.63357456
  H     19.73718774      8.43165457    -13.38216515
  H     11.98880268      9.48930340    -10.81000305
  O     10.91921127      9.09025551    -12.09818647
  H     11.72311062      8.92916911    -15.31617410
  H     12.20707904     10.25242820     -9.48190710
  O     14.83043246      4.26510169    -13.23116258
  H     12.92296525      8.06513730    -14.86834709
  H     16.69249722      7.07985103    -15.05164997
  O     10.98007506      5.66134535    -15.13578020
  H     17.12662089      3.69518492    -10.62820265
  H     17.42938268      8.19787082    -14.27339641
  O     12.65034084      9.70992838    -10.12848614
  H     16.70249900      5.16070266    -10.88913901
  H     14.04377000     10.10321790    -11.26863191
  O     16.66828358      8.02361455    -14.83623997
  H     18.08370794      5.35118299    -14.04146167
  H     15.54531837      9.93084457    -11.66273994
  O     14.67761118     10.19402604    -11.99311843
  H     18.14826742      5.04853397    -12.53660010
  H     17.76207529      9.75267949    -10.47072406
  O     17.22648209      9.28569803    -11.10910520
  H     16.00303721      4.96170309    -14.51596133
  H     17.83550062      8.94198611    -11.78195345
          69
 Ord_Energy   -248.237015    
 O    2.22357655       1.52092063      -3.01061463    
 H    1.45073318      0.945810139      -3.10013938    
 H    2.95122719       1.03768134      -3.42034197    
 O    4.41820955      -4.50570011      -2.10863709    
 H    4.80270290      -4.29394770      -2.97270846    
 H    5.08957767      -4.36449671      -1.42979646    
 O    4.11336660      -3.75202799       1.85526764    
 H    3.33886147      -4.31162882       1.72078133    
 H    3.78023696      -2.89357638       2.14493966    
 O   -3.63158211E-02 -0.210812837      -2.93632054    
 H   0.142416432     -0.975808680      -2.36690807    
 H  -0.534777999      0.383527219      -2.36351728    
 O    3.13086104      -2.12091851      -5.86627817    
 H    3.44421244      -1.39421058      -5.30102968    
 H    3.21623230      -1.82260835      -6.76905107    
 O   0.455633700      -2.37656665      -1.31577957    
 H   0.465275377      -2.50345039     -0.359027922    
 H   0.186082646      -3.19990969      -1.74174225    
 O   -1.01834226       1.24800277     -0.678635120    
 H   -1.03062499      0.673327982      0.106905311    
 H   -1.71528804       1.88799489     -0.558157504    
 O   0.537180543      -2.45274186      -4.69169235    
 H   0.309386820      -1.59785140      -4.30674887    
 H    1.40041614      -2.35665703      -5.11170387    
 O    4.05788565     -0.362367034      -3.99434924    
 H    3.68425822     -0.944921434      -3.31218171    
 H    5.01586056     -0.464423537      -3.93812776    
 O    6.71778536      -1.15359259      -3.65410876    
 H    7.58455706     -0.821133256      -3.86968565    
 H    6.65993071      -1.17516768      -2.68149686    
 O    5.32411528      -3.53360844      -4.50362492    
 H    4.59093857      -3.19944906      -5.03294992    
 H    5.86843348      -2.76650929      -4.28389692    
 O    6.41308641      -1.23285663     -0.970565021    
 H    6.37087107      -2.11624408     -0.583190203    
 H    5.65763617     -0.746137083     -0.617065787    
 O    2.00403547      -5.61839247      -1.31113935    
 H    2.86792350      -5.33117437      -1.63969743    
 H    1.35499728      -5.35460663      -1.97301686    
 O    3.09934711      -2.05389357      -2.04355311    
 H    3.54294276      -2.91113734      -2.05647898    
 H    2.17202926      -2.20251751      -1.81990159    
 O    1.60211313       1.31285119       2.40237188    
 H    1.73935533       2.11323476       2.90316463    
 H    1.74948978       1.54195333       1.46927810    
 O    2.93436956      -1.20110321       2.19907856    
 H    2.53027630     -0.395333469       2.53891873    
 H    3.37021136     -0.928332508       1.37618434    
 O    1.72353685      -5.23894882       1.33799267    
 H    1.50409591      -6.07251740       1.74499929    
 H    1.81162596      -5.40671062      0.381842345    
 O    5.04782004E-03  -4.53979254      -3.03728366    
 H  -0.772476017      -4.99370718      -3.35128117    
 H   0.207488343      -3.84996080      -3.69490409    
 O    6.11971664      -3.87105513       5.07528186E-02
 H    5.42011976      -3.83261967      0.727709174    
 H    6.83537483      -4.37802172      0.425373375    
 O    3.88969922     -0.227088526     -0.179383516    
 H    3.25009227      0.489871740     -0.259023815    
 H    3.62414074     -0.898385465     -0.827823997    
 O    1.78311419       1.71788013     -0.342151552    
 H   0.829504490       1.57826638     -0.411126137    
 H    2.07355499       1.80688953      -1.26393056    
 O   0.662186980      -2.65120649       1.42815530    
 H   0.899373114      -3.58579540       1.48144400    
 H    1.44854188      -2.15681863       1.70154893    
 O  -0.728707373     -0.185550928       1.61519408    
 H   -2.78357007E-02  0.319312602       2.04630589    
 H  -0.424167514      -1.10181403       1.60307264    
          69
 Energy    -248.23682557175479     
  O      1.14270922      2.67729018      2.89257769
  H      1.71940138      2.02471256      3.30636455
  H      1.53581915     -2.34803792      2.14460925
  O      0.80394572      2.98681517      0.21818699
  H      0.29476756      2.63213014      3.35487784
  H     -0.22444642     -3.67316764      3.22946517
  O     -0.94750397     -1.41343805      5.11004140
  H      0.96086445      2.87385580      1.17279735
  H     -1.16886698     -3.08154607      4.29100859
  O      0.97189128     -4.33648535     -0.15443376
  H      1.19350287      3.82311873     -0.02365561
  H     -4.49174498     -0.48588116      3.40650833
  O     -1.66785756     -2.44373475     -2.66606361
  H     -1.52506278     -0.80614979      5.58401341
  H     -4.22949026      1.03102506      3.21628017
  O      1.10367976     -2.26594736     -1.91135929
  H     -0.89703048     -1.06076379      4.20672021
  H     -2.21843169     -0.54826076     -0.15010166
  O     -3.60367782      2.55420698      2.16493591
  H      1.40246066     -5.09754744     -0.53568880
  H     -2.14758636     -1.99784683      0.38787988
  O     -3.14150088     -4.53594117      2.08950946
  H      1.12676843     -3.59312431     -0.76468231
  H     -1.06131427      0.69043104      2.96709645
  O     -1.55694696      0.22809172     -1.67820964
  H     -2.15820200     -2.88418957     -3.35569530
  H     -1.46813568     -0.46189445      1.97556723
  O      1.10553655      0.37479102     -0.83794799
  H     -1.81976762     -2.94828655     -1.84959877
  H      0.90613759     -1.62698654      5.14590189
  O     -4.46473779     -1.92879786      2.31616541
  H      0.23877901     -2.29820624     -2.33828292
  H      1.83644098     -2.41628274      4.21029376
  O      1.40929920     -3.26397993      2.43306935
  H      1.24146979     -1.34568729     -1.65427716
  H      0.76496147     -0.42863748      1.99100976
  O     -1.08985986     -3.79192988      3.64190326
  H     -3.06816043      2.49884149      1.35385992
  H      2.26022324     -0.17244699      2.27391627
  O     -4.38315023      0.35082940      3.88138972
  H     -4.23789757      3.25211802      2.02083876
  H     -2.20088020      2.49190292      3.37793110
  O     -2.42184936     -1.09948789      0.61467441
  H     -2.41398113     -4.29021170      2.69203492
  H     -1.77806766      1.81546751      4.71085087
  O     -0.82555169     -0.18678731      2.64321377
  H     -3.51025238     -5.34942469      2.42234048
  H     -3.34956700      0.50878880      5.23990515
  O      1.83199894     -1.72574521      4.88299285
  H     -0.62010310      0.26487704     -1.42976271
  H     -3.15344423      0.88695236      6.72928197
  O      1.66045624     -0.60394804      1.65444469
  H     -1.67776229     -0.58771057     -2.17789398
  H      3.74223591      0.72968488      4.24299196
  O     -1.43657498      2.25187093      3.91961129
  H      1.09241015      1.31926690     -0.63922866
  H      2.51275458     -0.20078250      4.32853521
  O     -2.67938469      0.67512566      5.93030975
  H      1.35387471     -0.04550109      0.00018493
  H     -0.87407076     -4.00337623     -0.09016784
  O      2.86642097      0.59426748      3.89112850
  H     -3.87571027     -1.53683421      1.65569933
  H     -2.30966174     -4.09963773      0.51898990
  O     -1.79012501     -3.71734860     -0.20175753
  H     -4.18847883     -2.84922767      2.36296442
  H     -1.07041811      2.71797582      0.08936514
  O     -1.99482234      2.45956216     -0.01239617
  H      1.35031909     -3.77068124      1.61487061
  H     -2.00105476      1.78676286     -0.70409679
          69
 Energy    -248.23656499964028     
  O     12.77342910     11.14640304    -14.91044416
  H     13.05516756     10.44128539    -15.51215638
  H     14.45462424      5.73763500    -15.82678839
  O     15.97162144      6.59631005    -13.27526598
  H     13.54515384     11.70250569    -14.76535073
  H     19.32614587      8.08239172    -13.25207561
  O     17.68166794     10.06993603    -10.93358797
  H     15.85051745      6.06691969    -14.07657936
  H     20.59212555      7.97528747    -14.13171550
  O     17.79601863     12.32945933    -14.86438520
  H     15.81367396      7.51191721    -13.55534420
  H     16.41529392      9.30411842    -14.65903794
  O     12.62916981      6.39054884    -15.90899599
  H     16.85254744     10.43920233    -11.27375215
  H     15.56061067      9.79598873    -13.43833173
  O     14.48125398      8.94006663     -8.55866905
  H     17.57196810      9.94623080     -9.98333056
  H     11.79800232     10.39652096    -13.68145226
  O     13.84877557      6.82090527    -11.54050291
  H     18.35118080     12.95898189    -15.31876817
  H     10.41613373     10.30587748    -12.99207880
  O     15.37468372     10.98856067    -12.04247979
  H     18.32240897     11.97861215    -14.12232634
  H     17.46946940      7.62785296     -8.88802835
  O     16.24582374      7.82273879    -17.30542888
  H     11.93592607      5.91279022    -16.35632020
  H     17.80850925      6.86287600    -10.18447945
  O     14.79231870      6.12386735     -8.99663915
  H     12.29535239      6.60091761    -15.01873278
  H     11.56091825      8.05537027    -13.31467222
  O     17.87460374      9.57308258    -15.69671239
  H     14.45372095      7.97567160     -8.60647568
  H     12.43157675      6.91469544    -12.74175258
  O     15.40821538      5.61216668    -15.75179910
  H     13.98219930      9.25939374     -9.32080645
  H     18.79545495     10.88191724    -12.13901320
  O     19.83623237      8.52765229    -13.94992216
  H     14.08923373      6.47197384    -10.67416313
  H     19.66028738     10.33415046    -13.28129868
  O     15.61375996      9.14092172    -14.14255283
  H     14.59599444      6.64920609    -12.13215982
  H     17.45267094      7.11961430    -12.40281201
  O     11.29571089      9.93795170    -12.98460806
  H     15.12815277     11.70368329    -12.63931793
  H     17.96237648      8.39191631    -11.62952209
  O     17.41796775      6.76012962     -9.30852039
  H     14.57624009     10.56979274    -11.68748666
  H     17.32187114      9.79236177     -7.41561946
  O     11.80086692      7.13038313    -13.44179308
  H     15.40101766      8.27408968    -17.18344175
  H     16.16468548      9.32648615     -8.33336577
  O     19.27213062     11.14790145    -12.93807370
  H     16.90429329      8.40300972    -16.90555519
  H     12.51693789      9.71026823    -11.62116368
  O     18.22006433      7.52040557    -11.96659270
  H     14.69176221      5.35249146     -8.44568392
  H     13.51083305      8.57833995    -11.25753527
  O     17.13225641      9.42679992     -8.27513598
  H     15.74892485      6.26185908     -9.11761615
  H     16.01197746     12.61757381    -14.47933871
  O     13.28599469      9.50366437    -11.07540268
  H     17.90438035     10.52901210    -15.57475751
  H     14.96277301     13.72055832    -14.23056534
  O     15.09690834     12.77551188    -14.19896422
  H     18.59650355      9.19174414    -15.17870175
  H     14.39024647      8.95227371    -15.47332727
  O     13.80000295      8.93671216    -16.24336888
  H     15.80066249      6.26682697    -16.34734517
  H     13.33790374      8.08879325    -16.21497895
          69
 Energy    -248.23630224073719     
  O     -6.35224108     -0.14972431     -0.16379655
  H     -6.91080994     -0.69441567     -0.71174668
  H     -0.83539421      0.61961912     -0.06640044
  O     -6.65299533      4.73572968      0.00111551
  H     -5.44991927     -0.51225506     -0.23678208
  H     -4.52161881      5.58095019      2.32788102
  O     -1.74854263      0.57619026     -1.68488266
  H     -7.06480684      5.06933763     -0.79211535
  H     -5.23391929      5.58934335      0.95950603
  O     -2.27388948     -1.25488699      1.93550075
  H     -6.17052128      3.92804229     -0.24907000
  H     -3.63745913     -0.40184363      2.79690781
  O     -4.06922550      2.61042144      2.10999805
  H     -2.11565311      1.47822220     -1.70974623
  H     -3.68302238      0.40670113      4.11417861
  O     -4.93161594      4.56559293      3.92194469
  H     -1.41476371      0.39063693     -2.55858451
  H     -7.00879749      1.40537798      4.38467872
  O     -5.27720467      2.43518227     -0.33968622
  H     -1.70047286     -0.57454788      1.55661431
  H     -7.31661084      2.77465837      5.01786007
  O     -4.52907426      2.83677820      6.17177951
  H     -1.88564358     -1.47295994      2.79565487
  H     -1.47611034      3.99217043      1.10232194
  O     -2.87983435      3.03253050     -1.64000346
  H     -4.43021587      3.27582307      2.70946779
  H     -2.36045253      2.98141381      1.84899483
  O     -3.79843957     -0.98536915     -0.38209347
  H     -4.12106847      1.75097118      2.54940211
  H     -7.91576183      4.10607662      3.51106265
  O     -6.80212453      0.67587499      2.54400372
  H     -4.60382264      4.10958870      4.70694949
  H     -8.44866885      5.10531241      4.57040452
  O     -0.56164173      0.72631474      0.85264714
  H     -5.88502531      4.65583673      4.05615657
  H     -1.80656714      1.55066895      4.99252421
  O     -4.42675390      5.86633666      1.41097438
  H     -5.70960726      1.57450740     -0.38251503
  H     -3.15109915      1.63412750      5.76219695
  O     -4.20652127      0.16057449      3.33842928
  H     -4.83612891      2.48745592      0.52422272
  H      0.18182179      1.73151163      3.91888967
  O     -6.90388302      1.91879824      5.19357268
  H     -4.66113412      3.08475484      7.08376727
  H     -0.74009378      2.83533478      3.37413679
  O     -1.43634773      3.21841537      1.67435266
  H     -5.35852017      2.42316061      5.87251209
  H     -7.56147755      3.70787470      1.31787070
  O     -7.72070139      4.52416364      4.37108909
  H     -3.76121054      2.83166641     -1.29541071
  H     -7.54643308      2.37459115      2.13139001
  O     -2.53193834      1.01723604      5.35472208
  H     -2.59278531      3.83021800     -1.18115492
  H     -0.25098511     -0.84564957      4.08665781
  O     -0.46054102      2.39877360      4.18956795
  H     -3.15599218     -0.49060682     -0.90370551
  H     -1.53513037     -0.61120686      4.90415801
  O     -7.97629116      3.23634972      2.04938541
  H     -3.32764474     -1.26951469      0.41310612
  H      1.93951795      0.02197337      2.85774729
  O     -1.05145248     -1.28173236      4.40504724
  H     -6.80733080      0.31414458      1.64971889
  H      0.57090125      0.34273945      2.21834325
  O      1.02962185      0.21871326      3.06567231
  H     -5.93797792      0.42206443      2.90252560
  H     -1.77696293      6.14892621     -0.29881184
  O     -2.17720096      5.32340406     -0.03900493
  H     -0.83103832      1.61918440      1.11613444
  H     -2.96791705      5.55063266      0.48177856
          69
 Energy    -248.23627387407504     
  O     10.04278953     10.90164046    -10.46369484
  H     10.73901467     11.38622185     -9.98415223
  H     12.34943018     11.24987611    -16.95840861
  O     14.64463565     10.66452610    -13.09075146
  H      9.23122884     11.03736271     -9.98272973
  H     14.42179635     12.19992831    -14.11079065
  O     17.31324999     12.57535462    -14.85842792
  H     15.56216180     10.86559812    -12.86536496
  H     14.04483226     13.64621676    -14.57615870
  O     15.71123828      7.43422873    -12.01523838
  H     14.26249648     10.22954319    -12.31734291
  H     17.32727739     10.59384899    -17.76186023
  O     11.16823838     11.87303854    -12.83677473
  H     17.37857227     11.90930400    -15.55208323
  H     16.01091161     10.67427234    -16.96469978
  O     12.98220725     15.09341330    -14.09728676
  H     16.38786918     12.85738667    -14.87339580
  H     13.13148996     14.24990967    -12.35618000
  O     14.17546817     10.96382612    -16.79194254
  H     16.56302383      7.87951627    -12.10584350
  H     12.53180213     12.86141048    -12.10803609
  O     14.38303278     10.75343804     -8.90271440
  H     15.54983771      7.01176479    -12.86682541
  H     17.82884040      8.51079050    -14.36369305
  O     13.89977198      8.87869682    -15.02376677
  H     11.30191540     11.08046468    -13.37362019
  H     17.38114214      9.02807499    -15.76146499
  O     18.14590197      8.86359386    -12.53613859
  H     10.65685746     11.60175815    -12.06474064
  H     14.82125524     13.02601834    -11.04539522
  O     12.07504341     12.32089891     -9.37057191
  H     12.20139905     14.65411750    -14.48104387
  H     15.31241405     12.07508221     -9.94340761
  O     11.39135739     11.36216661    -16.85870138
  H     12.95137312     16.00586507    -14.37003438
  H     11.11057807     10.15426770    -15.31902625
  O     14.51915857     12.84596230    -14.82626053
  H     14.07293245     10.15706204    -16.26136542
  H     12.17695639      9.25626065    -14.67524785
  O     16.96551615     10.52971921    -16.88022081
  H     14.28604520     11.70197230    -16.16984772
  H     15.55760702      5.71879062    -15.13915425
  O     13.12827898     13.52223964    -11.72515205
  H     14.69815032     10.25163904     -8.15590390
  H     16.23623405      7.10485205    -14.98440018
  O     17.52132642      8.23191788    -15.23618113
  H     14.17738784     10.11180775     -9.60580738
  H     11.07603741      8.83456786    -12.72671123
  O     15.62150281     12.68227236    -10.62659588
  H     14.25208266      9.44549567    -14.31871007
  H     10.72435956      9.31800011    -11.30213034
  O     11.30462786      9.64895997    -14.52151668
  H     14.34462693      8.02603299    -14.96519994
  H     17.40124948     11.91238557    -13.19165927
  O     15.44903874      6.58013776    -14.74661846
  H     17.88096570      9.79359646    -12.42329898
  H     16.80197132     11.94742810    -11.72626649
  O     11.21389975      8.64390536    -11.79168160
  H     18.98307920      8.76087259    -12.09116353
  H     11.05894642     12.93077320    -15.73812153
  O     17.26389624     11.40114091    -12.38042372
  H     12.83518872     11.80418363     -9.07395219
  H     10.87407043     13.04228724    -14.21787208
  O     10.94480330     13.57074044    -15.02699334
  H     12.41801675     12.92057230    -10.04552202
  H     12.90435029      8.83014600    -11.22180153
  O     13.80073102      9.09118050    -10.96801270
  H     11.01338960     11.24870645    -17.72801735
  H     14.42949138      8.42257101    -11.27997227
          69
 Ord_Energy   -248.236237    
 O   -6.48083353      -4.99389219       5.03231812    
 H   -7.04730415      -5.36622000       4.34289074    
 H   -5.60566998      -5.37830257       4.89546156    
 O   -5.96835375      -8.91831875      -1.97707212    
 H   -6.71739960      -8.36197662      -1.73173058    
 H   -5.82125092      -9.51737595      -1.23612165    
 O   -1.58911192      -8.00467205      -1.06853616    
 H   -1.99865603      -8.58157539     -0.399735719    
 H  -0.714071751      -8.34773445      -1.22824478    
 O   -3.90703678      -6.95070171       1.86967754    
 H   -4.80610132      -7.22017145       1.63796544    
 H   -3.57001710      -6.40387344       1.14750993    
 O   -2.87149692      -9.38395405      0.878510654    
 H   -3.14156914      -8.60146046       1.37844741    
 H   -3.68720961      -9.86837578      0.702753425    
 O   -7.82031393      -7.00565767     -0.874102890    
 H   -7.37575912      -6.23098278      -1.25102854    
 H   -8.58554268      -6.65840387     -0.399904728    
 O   -7.24656534      -2.12342429       2.16465664    
 H   -6.86286116      -2.94355297       1.81731570    
 H   -6.96091795      -2.06765628       3.08400106    
 O   -3.72229266      -7.63883734      -2.96703386    
 H   -2.99030805      -7.89162683      -2.39299464    
 H   -4.50038099      -8.13691425      -2.67444754    
 O   -5.59314489      -1.27101517       3.54472399E-02
 H   -6.14565516      -1.31786370      0.827681243    
 H   -4.80868292      -1.79790163      0.237166747    
 O   -7.42376757      -2.08590579      -1.78540063    
 H   -6.73536348      -1.73878324      -1.18854225    
 H   -7.59491920      -1.40872729      -2.43368101    
 O   -6.52593184      -4.70773745      -1.61466968    
 H   -6.87271976      -3.82438469      -1.79469180    
 H   -5.66455030      -4.78007746      -2.04694414    
 O   -6.49431562      -7.95010853       1.37536097    
 H   -6.95104218      -7.43100166       2.04905343    
 H   -6.87428713      -7.65911531      0.533111811    
 O   -9.76939297      -5.63101578      0.718621314    
 H   -10.7184658      -5.72035360      0.748468578    
 H   -9.58610821      -4.68895292      0.551644206    
 O   -4.00785017      -5.00299501      -2.71849966    
 H   -3.92973447      -5.95840502      -2.90377450    
 H   -3.58817482      -4.54125643      -3.43887997    
 O   -6.06317949      -4.44662333       1.14178789    
 H   -5.18671083      -4.04109335       1.15946436    
 H   -6.28539085      -4.56351328      0.208985656    
 O   -9.16761875      -3.00497150      0.326308519    
 H   -8.69029045      -2.60139680       1.06439269    
 H   -8.72752762      -2.67759156     -0.466292650    
 O   -3.84371662      -5.88753080       4.39318466    
 H   -3.83994722      -6.28881645       3.50831270    
 H   -3.22954559      -6.38951159       4.92341995    
 O   -3.61851525      -3.11236835      0.934422791    
 H   -3.48445201      -3.05519247       1.89444840    
 H   -3.09102464      -3.84468937      0.596435010    
 O   -3.63108110      -3.12785125       3.65849638    
 H   -3.62283564      -4.04168844       3.96909189    
 H   -4.42151928      -2.72802615       4.04065895    
 O   -6.17187929      -2.31499481       4.75953150    
 H   -6.32081366      -1.86133170       5.58467102    
 H   -6.34252739      -3.26035118       4.92306614    
 O   -7.76385689      -5.91182661       2.72426915    
 H   -7.10684919      -5.40118504       2.22117782    
 H   -8.57744694      -5.85622072       2.20986581    
 O   -2.72001314      -5.53357553     -0.253199786    
 H   -2.18767500      -6.30215168     -0.496653199    
 H   -3.18542385      -5.27750301      -1.06081510    
 O   -5.52450848      -10.3569765      0.494051367    
 H   -6.01155281      -11.1108189      0.817513227    
 H   -5.91118097      -9.57103920      0.917113602    
          69
 Energy    -248.23605388230581     
  O     12.11549620      8.94438198    -14.84946237
  H     11.64095080      8.48085073    -14.13414771
  H     14.31866123      6.02666296    -16.07771995
  O     16.10791312      5.80008036    -13.42117168
  H     11.45772573      9.42717287    -15.34545827
  H     19.82085291      8.33900117    -12.93420642
  O     17.44783304      8.34163599    -10.49908295
  H     16.16059363      6.75641167    -13.26248046
  H     19.75061061      8.08312276    -14.46418000
  O     17.16016959     10.00464834    -15.04820228
  H     17.01436304      5.47619706    -13.49366795
  H     17.09105153     11.64324619    -12.34738352
  O     12.54045780      6.06436542    -15.64075197
  H     18.31990452      8.70450561    -10.69065691
  H     17.68866753     11.06626499    -13.64473070
  O     13.92287314      8.61320618     -8.31128724
  H     16.97901122      8.35913367    -11.34758760
  H     15.30681383      8.91017533    -12.86123943
  O     14.16440560      5.64262323    -11.49580786
  H     16.33207122      9.76052284    -15.48913574
  H     16.63903098      8.95660163    -13.63754386
  O     15.32851872     11.90827882    -11.62988925
  H     17.88305313      9.58404393    -15.53063445
  H     11.12139377      6.63572584    -12.92439921
  O     18.03911737      6.18161125    -16.50337924
  H     12.35613789      5.60582652    -14.81092448
  H     11.43799887      7.82552050    -12.01133684
  O     15.61263521      6.49154147     -9.33124600
  H     12.33990027      6.99074087    -15.47609645
  H     11.68274217      4.06707836    -12.84839608
  O     19.24717293      8.58428433    -16.24352490
  H     14.57187187      9.27607193     -8.61168650
  H     12.74571990      5.11505976    -12.45254952
  O     15.27071188      6.19232278    -16.04753604
  H     13.68325447      8.84355705     -7.41837667
  H     20.40983463     10.16404388    -11.25823320
  O     19.83962461      7.64874236    -13.60691050
  H     14.65772388      5.78118471    -10.67331073
  H     19.07229835     10.34677604    -12.01316062
  O     17.92515021     11.41579062    -12.77348223
  H     14.82764093      5.60092002    -12.20052748
  H     19.40293964      4.51348755    -13.62306091
  O     16.16622437      8.48025788    -12.94225775
  H     14.89693563     12.75710986    -11.69431790
  H     19.19745063      6.04526262    -13.71692797
  O     10.96887661      7.58396300    -12.82193770
  H     14.73367953     11.26124608    -12.04320836
  H     16.44064520      9.65074952     -9.66799887
  O     11.99214130      4.94824494    -13.04307293
  H     17.07317769      6.14587889    -16.52735623
  H     15.64875047     10.92568279    -10.02535322
  O     19.67029471      9.68453201    -11.62168297
  H     18.30682745      5.69316348    -15.71536130
  H     13.10581731      8.26028394     -9.91722678
  O     18.78109702      5.18216746    -13.89585635
  H     16.35547170      7.01417625     -9.66225882
  H     13.32437906      7.24241201    -11.07171248
  O     15.78281198     10.27393092     -9.32857259
  H     15.06704800      7.10746203     -8.82836258
  H     13.22992269      9.70543771    -13.45355155
  O     12.86300323      8.05809745    -10.82924464
  H     18.81445269      7.72934051    -16.42246665
  H     13.41299439      9.31457281    -11.96052142
  O     13.74964242      9.89049405    -12.66481335
  H     19.81307368      8.76850672    -16.98797797
  H     15.03162345      8.03678694    -16.13718135
  O     14.82776640      8.98131667    -16.07573666
  H     15.53783752      5.99340992    -15.13827354
  H     13.92756421      9.02678401    -15.74374881
          69
 Energy    -248.23605245664012     
  O     12.33684782     10.96819869    -15.20455154
  H     12.73840841     10.30248378    -15.78084903
  H     20.48782761      9.25939316    -13.42299224
  O     15.96977036      6.55685952    -13.29736981
  H     13.00318838     11.65544804    -15.09192972
  H     16.07877698     11.05654378    -17.32555306
  O     17.12712649     10.30974572    -11.08419187
  H     16.70633944      6.90330602    -12.77205398
  H     17.04622004     11.07997753    -16.14681246
  O     17.92359356      9.51670972    -15.42851553
  H     15.19437894      6.53358175    -12.71995194
  H     15.54416936      8.16654978    -14.00573132
  O     13.03025906      6.29004439    -16.33318563
  H     16.86669868     10.27525450    -10.15576368
  H     14.80400951      9.01154914    -15.09734665
  O     13.80532346      8.84772718     -8.68675457
  H     16.40283263     10.72995180    -11.56457197
  H     11.51022811     10.09563717    -13.96133703
  O     13.74668821      6.82858561    -11.68521792
  H     17.90802000      8.87894743    -16.15263225
  H     10.17524724      9.81081675    -13.23276632
  O     14.96148919     11.13701580    -12.66187809
  H     17.08245512      9.39668506    -14.96089715
  H     16.29470312      6.72864634     -9.20075600
  O     17.45014085      7.60651398    -17.50426816
  H     12.43799084      5.67781381    -16.76064113
  H     17.46695189      7.25725244    -10.07529383
  O     14.41248556      6.22973107     -9.04457168
  H     12.65932088      6.46691415    -15.44842460
  H     12.58969515      6.72900733    -13.12774398
  O     15.85717345      6.03836227    -16.01869076
  H     13.48224430      9.19061990     -9.53098693
  H     11.64713481      7.77698396    -13.74822312
  O     19.87953340      8.56132242    -13.65797969
  H     14.65548031      9.27722773     -8.52438634
  H     18.69657194      7.91416490    -12.38687860
  O     16.36387250     11.60383969    -16.58579011
  H     13.59594597      7.77781864    -11.56691154
  H     17.63191790      8.69298967    -11.58274292
  O     15.41631487      9.05883889    -14.35330596
  H     13.92809170      6.46887315    -10.80840290
  H     16.98178886     10.00028916     -7.60493290
  O     11.08745487      9.53815584    -13.28333838
  H     14.81002027     11.87002699    -13.26700668
  H     16.78040670      8.82290148     -8.58835133
  O     17.13128491      7.20748185     -9.16969078
  H     15.12868685     10.36932305    -13.23433561
  H     15.72588040      9.54230432    -19.45726556
  O     12.05593111      6.91846813    -13.91075069
  H     18.16537610      7.07128273    -17.83741836
  H     16.34634874      8.83812293    -18.22840503
  O     17.92503625      7.79754668    -11.81875616
  H     16.88320047      7.01706678    -16.97229156
  H     13.75056610     10.17213946    -11.70935338
  O     16.48240080      9.72504062     -8.36894677
  H     14.14400805      7.14282774     -8.83072132
  H     12.33869003      9.57155882    -11.89911819
  O     15.70312029      9.51169821    -18.50394205
  H     14.07150477      5.67167901     -8.35116295
  H     15.19136464     12.40264810    -15.51998441
  O     13.11877252      9.54489161    -11.33118785
  H     14.90440629      6.01848625    -16.16544096
  H     14.55785763     13.73921046    -15.07907673
  O     14.53322060     12.79875486    -14.92285874
  H     15.97764340      6.08272681    -15.05916730
  H     13.43193663      8.05999856    -16.63008828
  O     13.70239601      8.98699622    -16.60029696
  H     19.25032994      8.96157271    -14.27794895
  H     14.30607408      9.14808225    -17.33537783
          69
 Energy    -248.23594353896169     
  O     16.93270851     10.97400672    -15.60693083
  H     16.90882257     10.02261589    -15.41928785
  H     17.15789269      5.70752026    -12.24407480
  O     14.83043533      5.36806599    -14.54438315
  H     16.08109449     11.34190142    -15.34096006
  H     20.24900468     10.35931870    -15.36712675
  O     18.00008254     12.22063245    -11.68842522
  H     15.21578157      5.64507669    -15.38823130
  H     21.53815088     10.24967547    -16.21118661
  O     19.83534502      7.66010238    -14.43775296
  H     15.56997720      5.18096504    -13.95501149
  H     17.98715864      8.03360600    -14.80144244
  O     14.63956834      8.48352529    -18.25542033
  H     17.07984068     11.96319271    -11.85839589
  H     16.68765251      7.67186051    -15.57812196
  O     17.34859234      8.67874393     -8.94337751
  H     18.46078649     12.13030848    -12.52861967
  H     13.97750784     10.98385067    -15.20302347
  O     15.32711237      8.55379260    -12.79996420
  H     19.78562701      8.05642941    -13.55610315
  H     13.81835879     12.52252367    -15.22503615
  O     18.93344995      5.13796099    -15.01803954
  H     20.27950492      8.29862781    -15.00894768
  H     17.19881823      7.59194726    -10.39258378
  O     13.08377804      7.33485827    -13.97034880
  H     14.20492024      8.50386127    -19.10325296
  H     16.42650329      7.68380914    -11.74077278
  O     18.53853714      5.76873861    -17.61253520
  H     15.40759493      9.08268222    -18.31587067
  H     13.80194301      9.09970713    -16.66610215
  O     15.97251912      6.51350011    -16.80333358
  H     17.96743682      9.38800706     -9.17425103
  H     13.27633840      8.70502918    -15.26000243
  O     17.08975583      4.92846331    -12.81985997
  H     16.63060782      9.10423371     -8.47888322
  H     18.70471130     11.28021750    -10.44039374
  O     20.72782812      9.79440683    -15.99651928
  H     14.47967161      8.18928942    -13.08030173
  H     19.83435526     11.13033576     -9.39030847
  O     17.06487482      8.28206509    -14.93098703
  H     15.92334591      8.48436020    -13.56175349
  H     19.35846821      9.50571312    -11.33540358
  O     14.35496959     11.81858168    -14.87115970
  H     18.29827081      4.97592864    -14.31203901
  H     18.50791015      8.33785500    -11.87289796
  O     17.15060547      7.22484849    -11.28602125
  H     19.39057359      5.95655008    -14.77153046
  H     19.02989565      7.62442477    -17.89594839
  O     13.46001830      9.45559271    -15.83746151
  H     13.65599449      6.57251545    -14.17413941
  H     19.69939585      8.94101267    -17.41639580
  O     19.14581831     10.64956197     -9.84090833
  H     12.25448777      6.98358624    -13.65865678
  H     15.02299939     11.63142702    -13.08465441
  O     19.20949030      8.95823008    -12.11452161
  H     18.70234925      5.46495618    -16.70116692
  H     15.41270542     10.35659962    -12.33929103
  O     19.12758330      8.56300454    -18.09400180
  H     18.88635197      5.09727541    -18.19329570
  H     19.09699522     10.38060604    -13.43118897
  O     15.46960740     11.31966886    -12.28871381
  H     16.79071838      6.23340054    -17.23350812
  H     18.39134144     11.15011771    -14.59638681
  O     19.20983798     11.09043610    -14.07799286
  H     15.50023630      7.11277255    -17.39586096
  H     16.86448662     10.55143461    -17.44556204
  O     16.80698478     10.04999051    -18.26809833
  H     17.12667032      4.16662404    -12.24535388
  H     17.62882307      9.53938043    -18.31939560
          69
 Energy    -248.23590919560152     
  O     15.77608022      4.70899329    -15.61519607
  H     15.85872437      5.65413454    -15.80172233
  H     17.19822583     12.03324153    -14.62265638
  O     18.50324572      6.72098804     -9.98360962
  H     14.88542568      4.60171869    -15.25861238
  H     16.34439305     10.57051853    -16.29214117
  O     13.26662942     10.81161193    -10.31093522
  H     19.05011484      6.24723118     -9.36272370
  H     15.69431360     10.41849700    -17.68753034
  O     19.58461451     10.03273718    -13.95515171
  H     18.72477462      6.37954381    -10.86982565
  H     16.67216478      9.20010940    -11.32177322
  O     17.44550049      3.67920401    -13.72995453
  H     12.60668471     11.48336892    -10.16125740
  H     15.56792546      9.64868295    -12.31993647
  O     12.81612285      8.16423583    -11.34593465
  H     13.72473635     11.04657993    -11.13705874
  H     12.57059820      4.11088917    -14.08534590
  O     15.81207960      6.48386326    -10.77299649
  H     19.03415711      9.23114600    -13.98997621
  H     13.89578643      4.47596010    -13.37253503
  O     18.58391834     11.44032979    -11.66266202
  H     20.46936412      9.76979749    -14.19486852
  H     14.73718856      8.59542107     -8.61065536
  O     13.83112091      6.90517134     -8.96157078
  H     16.91151080      4.04834651    -14.45637482
  H     14.56030270     10.00755188     -9.16921382
  O     15.76151600      7.49763935    -15.69015468
  H     17.79416916      2.84954123    -14.04550032
  H     16.88977714     13.84233128    -12.82848471
  O     18.87204349      5.80742790    -12.49033338
  H     12.99951200      7.64500686    -10.55490735
  H     17.41519869     12.43301935    -12.45954832
  O     17.49823968     11.43954748    -15.32148018
  H     12.85965538      9.08020382    -11.04676599
  H     18.05428001      8.58325837     -9.78942220
  O     15.68140167     10.07001961    -16.80024859
  H     16.71292140      6.46693033    -10.42703191
  H     16.87021143      9.49271429     -9.31999726
  O     16.15226728      8.91868777    -12.08763278
  H     15.74035598      7.28609357    -11.31010463
  H     14.17912229     10.93720266    -13.46500118
  O     13.32222074      4.69538573    -14.12942429
  H     18.37401767     10.82376582    -10.94917777
  H     15.27889306     11.85299315    -12.80055523
  O     15.18478230      9.44558278     -8.69253836
  H     19.02754880     10.93363674    -12.35444216
  H     13.34861067      6.57277281    -14.05834854
  O     16.75997320     12.91355140    -12.99872578
  H     13.58473175      6.11641071     -8.48585619
  H     13.30192209      7.73795313    -13.03822193
  O     17.68726905      9.47383723     -9.84454147
  H     14.55345556      6.65404908     -9.56363844
  H     15.92458068      3.89066549    -12.59648714
  O     14.59014456     11.20047803    -12.62719796
  H     15.73735052      8.32452249    -16.18717513
  H     15.33275439      4.96142013    -11.66194677
  O     13.54580754      7.51078875    -13.94809406
  H     15.04002240      7.53525454    -15.04423301
  H     13.39313793      9.25131932    -14.66610691
  O     15.10820198      4.16365309    -12.15992342
  H     18.59157134      6.54100278    -13.05551671
  H     14.17754507     10.17554930    -15.62777461
  O     13.53499410     10.17687248    -14.90816483
  H     18.45412057      5.02238703    -12.86398211
  H     17.26101904      7.70886879    -14.68045278
  O     17.85449021      7.94281389    -13.95632815
  H     18.27902898     10.99984872    -14.96442791
  H     17.27507182      8.30819095    -13.26854690
          69
 Ord_Energy   -248.235764    
 O   0.874176085       5.04117680     -0.658658385    
 H   0.109641351       4.87330484      -9.53063518E-02
 H   0.571352363       5.64124537      -1.35116744    
 O   -2.64624143       1.10717714      -2.78957963    
 H   -3.47958755      0.976968765      -2.31851840    
 H   -2.43634081      0.306518435      -3.28600836    
 O   -1.97598469      -1.16668522      -4.27768278    
 H   -1.84111047     -0.849799514      -5.18000841    
 H   -2.83460236      -1.60601068      -4.22595882    
 O    9.41736773E-02  -1.38763821      -2.43358278    
 H  -0.579101324      -1.40722609      -3.12864089    
 H   0.791383684     -0.802776992      -2.75018668    
 O   -4.40151262       3.44885397      0.301782817    
 H   -4.90623522       3.84555817       1.00799549    
 H   -3.47211790       3.67244744      0.470241874    
 O   -1.72203577       4.10823393      0.426047742    
 H   -1.47105050       3.24394441       6.81431964E-02
 H   -1.95570421       4.70314932     -0.307923198    
 O    1.01695621       2.61668515      -1.93144107    
 H    1.16102958       3.46028113      -1.47975171    
 H   0.324582070       2.16082025      -1.43169761    
 O   -5.64251995      0.360188872      -4.61896181    
 H   -5.30768871     -0.502175689      -4.35461235    
 H   -5.00930166      0.735578775      -5.25012970    
 O   -6.63621092       2.25158381      -3.02267337    
 H   -6.31669950       1.58210182      -3.65683651    
 H   -7.58100510       2.30536532      -3.13601160    
 O   -4.93011093       1.06944954      -1.11372018    
 H   -4.71483183       1.79793203     -0.517403245    
 H   -5.61655092       1.39942360      -1.70802057    
 O   -2.49482775       5.83835363      -1.54556453    
 H   -1.81053543       6.11633539      -2.16667986    
 H   -3.26696849       5.57464361      -2.05619359    
 O    2.01381350      0.531500518      -3.37293816    
 H    1.75775337       1.29674447      -2.82925081    
 H    2.96306562      0.457276821      -3.31146860    
 O   -4.51663542      -2.13566542      -3.68223047    
 H   -4.96631765      -2.97338867      -3.75260210    
 H   -4.33821821      -1.99059129      -2.73510766    
 O   -3.77088356       1.57552409      -6.23384428    
 H   -3.45908260       2.31724620      -5.69963264    
 H   -2.98333645       1.08653867      -6.49935198    
 O   -1.12988818       1.55761528     -0.583302557    
 H   -1.11551487      0.675564945     -0.195126623    
 H   -1.64710569       1.46491957      -1.39867473    
 O  -0.150652707       6.37552404      -3.04183459    
 H   -8.57799575E-02   5.55434656      -3.55726409    
 H   0.211274773       7.07101202      -3.58457732    
 O   0.545711637       1.50943851      -5.62007332    
 H   0.355519533       2.40008998      -5.30108023    
 H    1.09387457       1.09724271      -4.94139385    
 O   -2.83963060       3.37881684      -4.24282598    
 H   -3.51166606       3.85172915      -3.73874307    
 H   -2.73442388       2.53225493      -3.77746081    
 O   -1.25040662      -1.21430993      -9.60237235E-02
 H  -0.728953540      -1.32229972     -0.913084745    
 H  -0.880204260      -1.81310105      0.547070146    
 O   -1.41736007       3.64917405E-02  -6.73713303    
 H  -0.690672398      0.580639541      -6.38272238    
 H   -1.14219999     -0.263620883      -7.59905481    
 O   -3.94694233      -1.53908360      -1.09831285    
 H   -3.05903959      -1.46520054     -0.729498565    
 H   -4.37780905     -0.686415255     -0.945212483    
 O   -4.78936529       4.33466530      -2.44429851    
 H   -4.65302134       4.10376263      -1.51609933    
 H   -5.48251629       3.73495388      -2.75021315    
 O  -0.134836331       3.88000059      -4.19409895    
 H   0.201476961       3.41267657      -3.41620612    
 H   -1.09461236       3.74453115      -4.23728180    
          69
 Energy    -248.23575859437392     
  O     12.35149279     11.22057760    -15.30565893
  H     12.59716578     10.44899647    -15.83584366
  H     14.96840583      5.75191022    -14.79153067
  O     15.42388972      6.67408431    -13.18682874
  H     11.79729237     10.89035886    -14.58996353
  H     18.42618505      6.99963980    -13.65566592
  O     16.81374659     10.59503598    -10.68205624
  H     15.29279775      7.48190551    -13.71079475
  H     18.39736196      8.11109286    -12.60164483
  O     17.90500332      9.75151466    -15.15357418
  H     16.35793406      6.68746250    -12.94858625
  H     15.74859855     11.77333835    -16.30905357
  O     12.10168710      6.51140246    -16.07682252
  H     16.18261949     10.76059016    -11.39784663
  H     16.99212663     10.85375860    -16.32327845
  O     14.42048817     10.01184983     -9.03296731
  H     16.85611311      9.63851739    -10.50736704
  H     14.59909670      8.99606233    -15.29521560
  O     13.32276999      7.27284481    -11.51462871
  H     18.21149681      9.98394565    -14.26776187
  H     16.11366924      9.20147753    -14.92402979
  O     15.09723316     11.07987087    -12.84852767
  H     18.31180126      8.90163137    -15.36685758
  H     11.57712736     10.14817975    -12.41078715
  O     16.70679240      6.91823579    -17.11166400
  H     11.39102741      6.00286553    -16.45766704
  H     10.09524186     10.47518187    -12.70591792
  O     14.60310623      7.10085915     -9.08836414
  H     11.81393296      6.77290039    -15.18318093
  H     16.31619720      7.47289852     -9.80613234
  O     18.82903826      7.11089033    -15.50795247
  H     15.26749269     10.34014586     -9.35679591
  H     17.42812707      7.38936728    -10.89400560
  O     14.76714668      5.54971536    -15.71422548
  H     14.54125657      9.06777177     -8.87332710
  H     11.96775554      7.15815076    -12.85879100
  O     18.16129810      7.18527176    -12.74513204
  H     14.06929731      7.01928894    -12.08013118
  H     11.12040182      8.26893989    -13.50693672
  O     16.30590913     11.23862228    -16.88640756
  H     13.25214909      8.23802269    -11.52237054
  H     18.17413406     10.32213386    -11.83510464
  O     15.23930672      8.98799385    -14.57298299
  H     15.13550785     10.28571728    -13.40421946
  H     19.67419176     10.27894469    -12.18695719
  O     10.88734723     10.11376509    -13.09619222
  H     14.99696392     11.81251293    -13.46665514
  H     15.75968262      9.95338344    -17.92844929
  O     17.08896791      7.92328255    -10.16847695
  H     16.00151815      6.40017197    -16.69398698
  H     15.53364472      9.36245168    -19.34103616
  O     11.39742818      7.35078735    -13.61298448
  H     16.28712393      7.63085415    -17.60331253
  H     13.33555735     10.12456908    -10.47030148
  O     18.81214294     10.01214637    -12.49767513
  H     14.26148960      6.43252086     -8.50024260
  H     13.67170808     10.51392004    -11.92836900
  O     15.43801665      9.17070093    -18.41204011
  H     14.07004565      7.06013860     -9.89978071
  H     13.75021670     12.23095418    -15.17746921
  O     13.00020248     10.08696813    -11.37725130
  H     18.07365831      6.97516114    -16.11080851
  H     14.39077873     13.63919255    -15.22604891
  O     14.59012940     12.71769293    -15.08368295
  H     19.58783407      6.71643951    -15.92867902
  H     13.93701993      8.96074610    -17.35926358
  O     13.32343204      8.96661449    -16.61335350
  H     13.83909487      5.77797164    -15.84248464
  H     12.89685276      8.10221547    -16.55299508
          69
 Energy    -248.23568834362328     
  O      9.76054957     12.65365980    -10.53939433
  H      8.91054188     13.08641585    -10.56180575
  H     13.38352509     13.28681431    -12.03013128
  O     13.08135653      8.19618276    -16.37364052
  H      9.92920003     12.32467810    -11.43830341
  H     16.53381982      8.59044243    -11.37732758
  O     10.87709104      7.82046576    -10.36647049
  H     13.16438530      7.56040492    -17.07856122
  H     16.59084812      9.79995014    -10.41191685
  O     13.79751442      8.55019247    -13.67407819
  H     12.13287733      8.25399959    -16.15449257
  H     14.81490567      7.62995551    -12.53478690
  O     13.09845404     11.06463808    -16.25505388
  H     10.63419946      8.61382688     -9.86904069
  H     15.58154072      6.32520333    -12.21374732
  O     11.16467841      8.88905140    -12.87231129
  H     11.77572202      7.61075218    -10.08003055
  H     14.25629869     15.42080092    -10.89228440
  O     14.28720367      9.36168129     -7.29550179
  H     12.91036272      8.68119696    -13.30629407
  H     14.91714404     14.02856887    -10.74414045
  O     13.15228678     10.52998922    -10.56034702
  H     13.67680537      8.33628477    -14.60815183
  H     13.48866392      8.79766854    -10.08100513
  O     12.23363199     11.44228895     -7.15799845
  H     13.17589461     10.12176136    -16.44723500
  H     14.26307562      7.49548718    -10.32203075
  O     16.32589877     13.05966467    -10.69030326
  H     13.76222348     11.24299740    -15.57659177
  H     18.24720275     11.50708063    -13.18372041
  O     10.65664808     10.35035858     -9.18087193
  H     10.89926377      9.81277946    -12.79371663
  H     17.29943833     10.67916997    -12.28010286
  O     13.02296091     12.53753122    -12.51928618
  H     10.99428543      8.45340806    -12.02454781
  H     10.34469422     11.65433412    -13.94092000
  O     17.02096659      9.39805834    -11.17965429
  H     14.02441222      8.72536022     -7.97377164
  H     11.39984354     12.03869580    -12.87159793
  O     15.36158133      7.18537997    -11.86502074
  H     13.56336352      9.99535216     -7.21809844
  H     14.75258638     10.82113691     -9.72842859
  O     14.06203719     14.49004558    -10.82481541
  H     13.10675228     11.20605194    -11.24561924
  H     15.37869048     10.36310686     -8.41284708
  O     13.63278470      7.90864822     -9.72162060
  H     12.29424014     10.51797454    -10.11729964
  H     14.56661616     10.24045132    -13.82777947
  O     17.35064606     11.45962957    -12.86361525
  H     12.28669905     12.20141431     -7.76537970
  H     15.73746436     11.26862769    -13.70997402
  O     10.50715850     11.67334743    -12.98994973
  H     12.08909022     11.80158347     -6.28602593
  H     10.07850466     12.01678856    -16.48945475
  O     15.58545974     10.82755592     -9.23387017
  H     16.73023167     12.64358135    -11.45945584
  H     11.40144641     11.40645069    -15.97130641
  O     14.83338114     11.14927502    -14.02665216
  H     16.17871619     12.34712074    -10.05073623
  H     12.78759538     13.83975769     -9.56338684
  O     10.44624202     11.47928990    -15.79301420
  H     11.07639952     10.64456718     -8.36096994
  H     11.33075457     13.32357288     -9.55735527
  O     12.10180158     13.46805129     -8.99634049
  H     10.20839676     11.11425679     -9.56444209
  H     10.32162384      9.52994394    -15.74216718
  O     10.52949390      8.60427745    -15.56812941
  H     13.71780399     12.16192495    -13.07895041
  H     10.63579378      8.54526689    -14.60694319
          69
 Energy    -248.23539523643188     
  O     11.67776249     10.69314512    -14.37602863
  H     12.06913130     11.55967707    -14.21110226
  H     16.38378320      6.62120698    -15.21218149
  O     16.18049853      7.15497607    -13.53604875
  H     12.22695532     10.29013841    -15.06298545
  H     19.01875938      8.67718278    -14.47553018
  O     16.91031569     10.56311539    -10.83142036
  H     16.72591201      7.33361532    -12.75987372
  H     18.89409627      8.45088816    -12.93943084
  O     17.33718436     11.88661732    -14.84411448
  H     15.27025660      7.00481653    -13.24986451
  H     15.83801871     12.73750602    -15.53527134
  O     13.41232836      6.68527506    -15.87480414
  H     17.64885913     10.97605025    -11.29557421
  H     14.87918030     12.32924103    -16.66802331
  O     12.98113305      8.21942472     -9.64892061
  H     16.10521427     10.87132901    -11.27618007
  H     15.92233628      8.87081762    -14.11735564
  O     13.45589183      6.84342769    -13.07182803
  H     16.79321602     11.09469658    -14.69841869
  H     14.90744338      9.69066685    -14.97144756
  O     14.68366611     11.23167723    -12.26838677
  H     17.92400510     11.94431736    -14.08388448
  H     15.97034080      7.45348780     -9.20254197
  O     17.61331242     10.54585442    -17.28924628
  H     12.74082800      6.07350622    -16.16794658
  H     15.43553815      6.20374556     -9.92517046
  O     13.62086023      5.73205135    -10.49750720
  H     13.38637409      6.67378795    -14.90393453
  H     19.82703546     11.87133712    -12.35085281
  O     18.57887416      8.07542804    -16.27296337
  H     12.70896715      8.67172192    -10.45982812
  H     19.15420601     10.61858419    -12.96168117
  O     16.33660390      6.54082875    -16.17908749
  H     13.76317832      8.68207147     -9.32465689
  H     17.50679307      8.82267831    -11.24565479
  O     19.28150126      9.02264292    -13.61506849
  H     13.14015833      7.72287642    -12.81522081
  H     17.39576854      7.34841875    -10.78726500
  O     14.96182987     12.91324749    -15.90682271
  H     13.46229734      6.30890558    -12.26745780
  H     16.03606083      9.78678536     -9.43773797
  O     15.64705072      9.76440352    -14.35350623
  H     15.03496338     10.71265953    -13.01076091
  H     15.68206097      9.69770923     -7.94051830
  O     16.24526254      6.62333796     -9.61271610
  H     14.19492484     11.96495621    -12.66175006
  H     14.97356336     11.10493238    -18.93941060
  O     18.97800331     11.48296293    -12.54479608
  H     17.69910285     11.12485893    -16.51985233
  H     15.96455308     10.72084126    -17.81648501
  O     17.78985481      7.92384546    -11.45979509
  H     17.96868015      9.69304839    -17.01044803
  H     13.36070621      9.96084382    -12.06923185
  O     15.51096768      9.29312696     -8.78818989
  H     13.15312104      5.04868833    -10.02457252
  H     12.09714973      9.73024224    -12.90195944
  O     15.02424461     10.88184777    -18.01389080
  H     13.32673039      6.58440713    -10.12542639
  H     13.81742523     13.05594478    -14.60535431
  O     12.62530247      9.34504422    -12.18805944
  H     17.77963157      7.52331402    -16.32488259
  H     12.91138845     13.96376188    -13.74169842
  O     13.22971297     13.06933111    -13.82856055
  H     19.27554844      7.58092829    -16.69897792
  H     13.97153938      9.86150360    -16.89931322
  O     13.52587500      9.48623214    -16.12785048
  H     15.39343835      6.52107116    -16.36151550
  H     13.47336137      8.52692691    -16.22139637
          69
 Ord_Energy   -248.235229    
 O   -5.21170855     -0.104207069       1.10832191    
 H   -4.72710371     -0.915523350      0.985383689    
 H   -5.73694992     -0.210836455       1.92404461    
 O   -7.09044600       3.00674176      -2.46127319    
 H   -6.43307543       2.72582817      -3.09273648    
 H   -7.10960388       2.32494593      -1.77039027    
 O   -10.3113127       4.30907154       9.96228233E-02
 H   -9.44128513       4.58882046     -0.232522786    
 H   -10.9509859       4.56915379     -0.558930933    
 O   -3.18515539       2.64283872       6.49980211    
 H   -2.69903278       3.33682680       6.03719616    
 H   -3.75132418       3.10078001       7.13379812    
 O   -7.73927402       4.95369148     -0.615535617    
 H   -7.48366690       4.39442444      -1.36270821    
 H   -7.37526846       4.54271269      0.185376704    
 O   -6.89362288       3.51436639       1.57240009    
 H   -6.01746082       3.21719265       1.84754968    
 H   -7.47202444       3.48880863       2.34521151    
 O   -6.63446522     -0.177788824       3.39299035    
 H   -7.56305313       8.17399770E-02   3.40909576    
 H   -6.17229843      0.386655897       4.02802134    
 O   -4.02156734       6.28419590       6.51300335    
 H   -4.64745522       6.36735106       5.78051662    
 H   -3.22175312       5.91278887       6.11870575    
 O   -3.52451944       4.93772602       2.80420017    
 H   -3.74224210       4.03579140       2.53340673    
 H   -3.50547886       5.49607086       2.01233053    
 O   -5.70462894       5.94863129       4.27404785    
 H   -6.33610344       6.45880604       3.75311589    
 H   -5.00427103       5.63732624       3.68512654    
 O   -5.04586506       4.26645660       8.01559830    
 H   -5.11321783       4.47492409       8.94320393    
 H   -4.67613554       5.05334854       7.57528734    
 O   -4.44653320       2.38118291       2.30045867    
 H   -4.65469360       2.14164042       3.21727276    
 H   -4.52903891       1.57306850       1.78212667    
 O   -9.81681442       1.55532634      0.816623867    
 H   -10.0590858       2.46147537      0.591404915    
 H   -9.00752068       1.36138737      0.325360507    
 O   -7.19662714       1.38587093     -0.205628470    
 H   -7.15002584       2.13161945      0.412859052    
 H   -6.53641319      0.753754973      0.102158837    
 O   -2.00729012       4.86249638       5.08463526    
 H   -2.48976922       4.90409565       4.24127293    
 H   -1.08971632       5.02695513       4.88297749    
 O   -5.19608498       1.73488009       4.87242603    
 H   -4.41053486       1.86460280       5.42307663    
 H   -5.81477547       2.42376328       5.14828682    
 O   -3.66781378       6.53785086      0.614540815    
 H   -3.16255641       7.07647228       1.21831698E-02
 H   -4.59806824       6.78763103      0.480336428    
 O   -8.57814980       3.36502075       3.82211423    
 H   -8.88042831       2.44909167       3.79630852    
 H   -8.05173016       3.49438000       4.62269115    
 O   -6.73437929       3.88502717       5.78426504    
 H   -6.30946541       3.95097566       6.64746189    
 H   -6.39721251       4.62524033       5.25462914    
 O   -9.35396767      0.721783519       3.34967923    
 H   -9.57463074      0.977727532       2.43552208    
 H   -10.0866203      0.206204429       3.67629027    
 O   -9.68355560       5.58207464       2.58748293    
 H   -9.40947914       4.81761265       3.11443806    
 H   -10.0219145       5.21883821       1.76156342    
 O   -6.30408430       7.17253780      0.325093776    
 H   -6.82447100       6.50798988     -0.144950524    
 H   -6.76252413       7.31857777       1.16150546    
 O   -7.65873718       7.36522388       2.82397604    
 H   -8.02017307       8.18892384       3.14185905    
 H   -8.40929794       6.75364828       2.72086692    
          69
 Energy    -248.23500701613781     
  O     -4.21308459      0.90546847      1.14682964
  H     -4.76044338      1.66807988      0.98172715
  H     -1.42124656     -4.89615028      0.88719857
  O     -3.36144396     -2.37079031      6.72866300
  H     -3.92801125      0.95849986      2.07722566
  H      2.26950135     -0.50412315      3.15842551
  O     -0.81477133     -0.08189579      3.86945012
  H     -3.57165469     -3.27032818      6.44990770
  H      2.25068028     -1.97213837      2.69189254
  O     -3.41921798      0.91762044      3.70062807
  H     -2.41990663     -2.23886135      6.55074806
  H     -1.74831314     -2.58239008      1.83882664
  O      2.02308170     -2.68771650      5.69868399
  H     -0.05766105      0.43800182      3.57619952
  H     -1.41919678     -1.26519861      1.05917710
  O     -3.91103282     -4.87609284      5.41351279
  H     -0.97121407     -0.73282203      3.16617045
  H     -3.45796213     -3.80111359      2.41258126
  O     -0.72679148     -2.08379658      5.78442623
  H     -3.95749091      0.34441461      4.26056864
  H     -2.12312187     -4.34345205      2.96831214
  O      1.29395280     -4.78553141      3.85009156
  H     -2.49898011      0.65715741      3.83952259
  H      1.56698079     -2.85118728      0.62275921
  O     -4.90750836     -3.08837593      3.37997346
  H      2.27151927     -2.16219300      4.91627897
  H      0.44043849     -2.64619007      1.65513535
  O     -1.97351190     -0.04976282     -0.23794655
  H      2.76962514     -2.67028725      6.29131031
  H      2.21934610     -2.24175538     -1.79728729
  O     -0.76865056     -3.21703483     -1.71025056
  H     -2.97691352     -4.89942381      5.14352227
  H      0.74462100     -2.45507879     -1.37993521
  O     -0.65341800     -5.08288251      0.32936769
  H     -4.12969627     -5.75443584      5.71467106
  H      1.20960286      0.86721913      1.67972251
  O      2.57266859     -1.39000826      3.39110828
  H      0.20938750     -2.28632502      5.90739822
  H      1.81573266      1.95404085      2.59756055
  O     -1.15299316     -1.82270014      1.80033117
  H     -0.76492736     -1.32330853      5.18678827
  H     -0.16664852      0.37899499     -0.12665359
  O     -2.59747286     -4.14569449      2.14662073
  H      1.40502820     -4.31409195      3.01519729
  H      1.14667020     -0.38915644     -0.35880047
  O      1.27858955     -3.11261663      1.50661259
  H      1.64152563     -4.19463484      4.53035644
  H     -3.94112601     -2.13563008     -0.71277802
  O      1.60088218     -2.09075268     -1.08774905
  H     -4.97331355     -2.27616272      3.89953536
  H     -4.00436892     -2.17420758     -2.25409627
  O      1.42587785      1.08416269      2.60479771
  H     -4.73386398     -3.78313882      4.02813012
  H     -4.40987455     -1.35504589      5.79870950
  O      0.78086953      0.39699173      0.06409042
  H     -2.38692885     -0.68357740     -0.83815757
  H     -5.76702401     -0.62307583      5.67396735
  O     -3.39836063     -2.10977440     -1.52018392
  H     -2.69721674      0.39967422      0.21874022
  H     -1.19206430     -3.65866713      4.97531662
  O     -4.99711977     -0.88828520      5.17731209
  H     -1.67265299     -2.88619768     -1.71692809
  H     -0.44502728     -4.83146424      4.31319215
  O     -1.32621301     -4.52927278      4.57441478
  H     -0.76739726     -3.96715277     -1.09639928
  H     -4.74111225     -0.91525948      0.96130871
  O     -4.86895761     -1.85292616      0.76589707
  H      0.09430975     -4.67497858      0.77758278
  H     -5.02662255     -2.29157342      1.60856648
          69
 Energy    -248.23479641627063     
  O     10.42915363      9.88293346    -12.15540035
  H     11.28517439     10.33196129    -12.14508094
  H     18.14224126      8.04856396    -16.38952766
  O     14.27516692      8.00073914    -15.69945047
  H     10.16177624      9.82888218    -13.08119343
  H     15.82664930     12.25789044    -13.12546085
  O     16.79884760      8.20466407     -9.51885612
  H     13.91981699      7.23119948    -15.23639290
  H     15.19714474     13.63755413    -12.81676465
  O     18.59368768     10.84998582    -15.55798910
  H     13.64332748      8.72296756    -15.57361733
  H     16.25277793      9.68321281    -13.61359855
  O     12.60320318     10.09980802    -15.04145136
  H     16.93957120      7.38082197    -10.02191377
  H     15.36790882      8.60805593    -14.35662902
  O     14.83399212      4.56544541    -11.87852335
  H     17.04436464      8.02219235     -8.61629634
  H      9.66050419      7.19200814    -10.67177392
  O     13.25909827      5.95545455    -14.07054470
  H     17.97209670     11.01989551    -16.27770881
  H     10.37204724      8.26800782    -11.52792599
  O     14.62455701      8.91129890    -11.11879586
  H     18.86047687      9.92740701    -15.64886709
  H     17.35179587      7.83677834    -13.35370303
  O     16.53970205     11.16997548    -17.50265495
  H     12.76989197     10.30553406    -14.11046921
  H     18.63424108      7.52341137    -14.13886836
  O     17.21176142     11.23426050    -13.24786750
  H     11.66625378      9.88359495    -15.11820740
  H     11.36934053      6.34374354    -14.25470038
  O     16.61934813      8.34697680    -17.18463989
  H     14.59512515      3.75255637    -11.43806830
  H     10.38281840      6.78539474    -13.15209322
  O     18.99643303      8.01047101    -15.92175731
  H     14.19538089      5.23316978    -11.57855183
  H     17.95898263      9.24382721    -10.68406222
  O     14.99301683     12.76258874    -13.13620054
  H     13.83685333      5.20829259    -13.90238453
  H     18.60250610      8.86000048    -12.02420704
  O     15.84544312      8.80905211    -13.54373093
  H     13.15337159      6.36388933    -13.19705244
  H     16.44265547      5.48088566    -11.41291435
  O     10.36880461      7.32126107    -11.29635805
  H     15.07141343      8.83375779    -11.97825911
  H     17.63331704      6.36051975    -11.87747247
  O     18.22916896      7.43186945    -13.26891354
  H     15.30224214      8.77285972    -10.44608323
  H     13.79451465     11.35232133    -15.72078363
  O     10.49846211      6.73208580    -14.10950706
  H     15.81228390     11.47266547    -16.93063731
  H     14.70078209     12.35744010    -14.99398598
  O     18.45690012      9.60537602    -11.42600567
  H     16.51162405     11.70970873    -18.28804463
  H     12.14175156      6.85951703    -11.23766407
  O     17.16319415      6.03737807    -11.09594185
  H     17.68543711     10.78477513    -12.53251692
  H     13.58179470      7.46862412    -11.21311916
  O     14.53801699     11.95464171    -15.85447232
  H     17.76421904     11.19519220    -14.04327213
  H     13.57246532     10.21886190    -11.83239483
  O     13.07419868      6.66355497    -11.38944148
  H     15.77562985      8.12468269    -16.76961602
  H     13.65691938     11.58754338    -12.55688955
  O     13.06772883     10.84580925    -12.36949623
  H     16.56548919      9.28695271    -17.40033445
  H      9.17716022      9.29622022    -15.49054054
  O      9.94135189      9.26749468    -14.92167526
  H     19.62338763      7.62785452    -16.52982065
  H     10.10594829      8.33009022    -14.71435843
          69
 Energy    -248.23470247866720     
  O     19.79023632     10.74362454    -10.23975985
  H     20.73262287     10.89395842    -10.08659492
  H     18.80494344     11.18301290    -11.71720958
  O     18.78358349      6.51135280     -9.57928017
  H     19.34765001     10.64226528     -9.38919746
  H     22.63480072      9.95641064     -9.62984251
  O     19.18555915      3.81905174    -12.22396194
  H     19.24460536      7.09262136    -10.21039904
  H     23.23750470     11.38032404     -9.71063342
  O     20.79081864      5.65955660    -13.79502422
  H     18.16636361      5.97872733    -10.09860635
  H     19.28695778      7.97900989    -13.04717430
  O     22.59407811      8.44483019     -8.83073075
  H     18.36198972      4.23259518    -11.92146110
  H     19.41790580      8.72606516    -14.37903597
  O     16.98469585      5.25687530    -11.28039434
  H     18.94602050      2.96144394    -12.56874309
  H     20.43914337      4.20778071    -10.80272176
  O     22.41821674      7.32329555    -12.33095649
  H     20.17831887      6.36176520    -14.05544995
  H     20.20144194      5.20334964     -9.67122582
  O     20.14431210      8.01696487     -7.56954538
  H     20.26165322      5.00759875    -13.32262900
  H     14.66022543      6.87767860    -12.80496221
  O     23.24474918      5.92503443    -10.03194718
  H     21.78735380      8.28729193     -8.31947495
  H     13.55727918      7.82332014    -12.29106366
  O     19.93521420      8.16487409    -11.34459931
  H     22.88032969      7.58951210     -9.16834656
  H     16.39386635      9.26711551    -10.84540296
  O     18.23047139     10.15492854     -7.93468323
  H     16.88479818      5.91494639    -11.98738081
  H     16.88239855     10.18807114    -12.02252059
  O     18.24865299     11.17580710    -12.50889790
  H     16.20277055      5.35138746    -10.72430663
  H     16.38992817      8.05399562    -12.68581637
  O     22.56264971     10.81847815    -10.08087817
  H     22.83494433      6.84284024    -11.60647522
  H     17.37433285      7.38176971    -13.65681098
  O     19.10095469      7.89978152    -13.99604178
  H     21.96422241      6.67487559    -12.89128418
  H     22.50735821      9.10185490    -12.77957162
  O     20.86550909      4.60575686    -10.03456759
  H     19.67147927      7.36735455     -8.10383887
  H     22.46963546     10.41153812    -11.97343449
  O     13.86192304      6.90395491    -12.26349006
  H     19.55894204      8.78162103     -7.52469502
  H     15.87167696      7.70391788     -9.31460499
  O     16.17848600      9.59014602    -11.72747692
  H     23.96354866      5.34025502     -9.80753271
  H     17.40629421      7.71623291     -9.30409793
  O     16.56402692      7.22442549    -13.15524584
  H     22.43107026      5.39127937    -10.01100227
  H     13.21405526     10.37943248    -12.79414295
  O     22.33448931     10.05133717    -12.85680266
  H     20.84245142      7.94162643    -11.59487151
  H     14.40915924      9.75176442    -12.05911993
  O     16.63264150      8.29174661     -9.22699816
  H     19.92160473      9.07341681    -11.01866342
  H     20.97955529     10.34530817    -13.92468077
  O     13.45930701      9.64716997    -12.23412967
  H     17.78513804     10.72202146     -7.30952814
  H     20.47766041     10.94798856    -15.25592370
  O     20.19591501     10.44910773    -14.49395404
  H     17.55141612      9.57670145     -8.31845042
  H     14.34635645      6.47541246    -10.65836836
  O     14.74849410      6.23852831     -9.80229953
  H     18.84385926     10.99607685    -13.24553373
  H     14.06312400      5.82977315     -9.28080574
          69
 Energy    -248.23464423981329     
  O      0.89850801      4.29076322      0.49059305
  H      0.98942985      5.24044535      0.62236430
  H      3.13549152      6.42743372      0.99554267
  O      1.76853125      0.16364199      0.75033785
  H      1.56980296      4.01557481     -0.15386062
  H      5.71990323      2.79052828     -3.04835487
  O      5.57666085      6.34931371     -1.10789483
  H      1.27703903      0.42807957     -0.03823217
  H      4.76815279      2.95626846     -4.26231525
  O      1.16487282      3.47998109     -4.57616589
  H      1.73528666      0.91454056      1.36061816
  H      0.26151208     -0.84743191      1.08211271
  O      0.91201446      6.65204148     -2.03203431
  H      6.14289841      7.10625266     -0.98476051
  H     -0.71388088     -2.02496037      1.30045314
  O      1.82918973      1.32415980     -2.99879442
  H      5.06275110      6.24612558     -0.28650080
  H     -1.11045535      3.94433280     -2.05542551
  O      4.41933022     -0.18766898     -0.18073666
  H      1.35858833      2.63715239     -4.13882421
  H     -1.74147883      4.76161926     -3.19485221
  O      4.22798245     -0.07856175     -3.04016480
  H      0.46353998      3.88332526     -4.05424340
  H      4.22717215      5.98571107     -2.30954052
  O      1.44692822      2.39802816      2.38906612
  H      0.28801668      5.96635877     -2.29435278
  H      3.65022693      5.33644027     -3.62193138
  O     -0.17159512      0.50373987     -1.31689216
  H      1.77518729      6.38782580     -2.38311737
  H      6.00348611      3.21020077     -0.87433216
  O     -1.35231055      1.55292190      1.88971263
  H      1.11141616      0.89517953     -2.51392667
  H      6.25269869      4.59876463     -1.47766363
  O      4.02098776      6.05570535      1.09198062
  H      2.58431328      0.72378101     -3.04023533
  H      3.78876865      4.50476426     -6.06573678
  O      5.24431160      2.30427223     -3.73844041
  H      4.36642861     -0.23559315     -1.14357671
  H      2.75616583      4.02517672     -5.01622171
  O     -0.67001969     -1.11641535      1.01390220
  H      3.51078389     -0.20789579      0.14949265
  H      2.98321172      4.17066276     -1.85701260
  O     -0.90195530      4.51641235     -2.80984592
  H      4.60078094     -0.75632313     -3.59720151
  H      2.43835393      2.70802761     -1.93871129
  O      3.41976000      5.70747301     -2.76052006
  H      4.65159369      0.76185988     -3.29971090
  H      4.35684200      3.16878794      1.87147383
  O      6.41184521      3.65989124     -1.62620234
  H      2.29820990      2.70985686      2.71725341
  H      4.71622221      3.53228465      3.33030532
  O      3.68390015      4.29739078     -5.14123034
  H      1.17400439      3.08491467      1.76079023
  H      4.75935828      1.51563010      0.21205483
  O      2.71384464      3.40598601     -1.33137884
  H     -0.56623402     -0.15403344     -0.73410625
  H      4.05531798      2.81801704     -0.25908866
  O      4.02718211      3.61092621      2.67499936
  H     -0.58229867      1.35369914     -1.10036275
  H      0.92294602      7.78974306      0.93706529
  O      4.74987149      2.47730650      0.32388049
  H     -1.27929708      0.60670898      1.71619981
  H      1.19954065      6.99443830     -0.36442009
  O      1.38572852      7.03141809      0.59219218
  H     -0.50675124      1.81053418      2.27621854
  H     -0.50925684      3.51594699     -0.19062620
  O     -1.24153264      2.95903322     -0.50119127
  H      3.94873006      5.29811891      1.68287284
  H     -1.53676915      2.49665897      0.29626322
          69
 Energy    -248.23456723475715     
  O     -3.22172767      1.79848785      1.68428561
  H     -3.39363357      2.68397807      1.99387229
  H     -0.89351084     -3.85461063     -1.03118471
  O     -3.48183980     -1.44881315      6.06192963
  H     -3.35038618      1.21609513      2.45018465
  H     -0.12098275     -5.54083923      0.55220264
  O     -0.42662819     -0.19541485      3.78228215
  H     -3.90808248     -2.31219264      6.02785016
  H     -1.53856537     -4.98080616      0.75160578
  O     -3.20287090     -0.12579316      3.65330368
  H     -2.54127147     -1.62169777      6.20254551
  H      2.57352803     -0.82585251      3.21477548
  O      1.87663195     -3.20970056      5.48753409
  H      0.33241684      0.34782830      3.54567725
  H      2.63664366     -2.21175230      2.55418546
  O     -4.45396665     -4.16255269      5.63973458
  H     -0.43850409     -0.91414075      3.12822083
  H     -1.19879326     -2.73786578      1.82063975
  O     -0.68811005     -2.05100478      5.81571040
  H     -3.45522218     -0.50734119      4.50537792
  H     -0.92105545     -1.33779788      1.16969654
  O      0.54441332     -5.45659906      4.28619458
  H     -2.23813970     -0.04634951      3.67347633
  H     -3.17021749     -3.42328622      1.98576376
  O     -6.07082239     -3.22919023      3.53519616
  H      2.21867907     -2.66909043      4.75334234
  H     -2.28751212     -4.20490170      3.00460508
  O     -1.62699890      0.09893604      0.20383839
  H      2.59459336     -3.31193958      6.10706024
  H      1.97605871     -2.68226780      0.13354091
  O      1.51285729     -5.64360594      1.61007151
  H     -3.54855700     -4.33757963      5.32928240
  H      1.02258481     -2.65703066      1.33892583
  O     -0.91996908     -3.01176602     -1.51037211
  H     -4.62144936     -4.78227522      6.34548717
  H     -5.02129205     -2.39695221      2.34366909
  O     -0.91485744     -5.27837531      0.07399497
  H      0.18254388     -2.46469886      5.87082422
  H     -3.90908543     -1.31676304      2.41999706
  O      2.78843403     -1.74951692      3.38935070
  H     -0.58397966     -1.32257573      5.18601005
  H      1.90386886     -1.95299576     -2.38436891
  O     -0.57060699     -2.00632012      1.77409170
  H      0.87097803     -5.58629577      3.38756167
  H      0.64499416     -2.26608998     -1.54351734
  O     -2.43546008     -4.04497556      2.06303175
  H      1.08338632     -4.75683768      4.67669700
  H      1.67440411      0.74663537      1.72232263
  O      1.88595211     -2.98955640      1.04310303
  H     -6.95911411     -3.11646686      3.86540035
  H      2.41338285      1.69947464      2.68793422
  O     -4.30315529     -1.98463184      1.84213319
  H     -5.55634186     -3.59473986      4.27035865
  H      0.16213064      0.47945277      0.05341113
  O      1.54463766     -1.89112966     -1.50388388
  H     -2.25366745     -0.43268508     -0.30150899
  H      1.38716910     -0.26844353     -0.48574845
  O      1.91823587      0.88557351      2.65535337
  H     -2.14614782      0.76344049      0.67909011
  H     -3.83520316     -1.85208185      0.10357771
  O      1.12914696      0.46285516      0.08702145
  H      2.24878537     -6.17366438      1.31363756
  H     -4.21765116     -1.72859478     -1.38584713
  O     -3.47105863     -1.75706038     -0.79233274
  H      1.72520906     -4.72086521      1.38927907
  H     -1.54545216     -3.51417084      5.10967056
  O     -1.88227209     -4.35480223      4.76977644
  H     -1.79497716     -2.64524704     -1.35348896
  H     -1.10168362     -4.90866003      4.61680130
          69
 Ord_Energy   -248.234436    
 O    1.85796416       2.13068438       4.82421732    
 H    1.88630474       1.16844440       4.72943544    
 H    2.56620765       2.46798134       4.26532269    
 O   -1.62668645      -3.96891427      0.322861791    
 H  -0.976357222      -3.84373426     -0.391716212    
 H   -2.23315024      -4.64444351       3.18930484E-02
 O    3.99744177       2.72521448       2.87952352    
 H    4.06461573       1.78167045       2.66599083    
 H    4.86251926       3.00148892       3.17455792    
 O   0.297848880      -3.32609129      -1.48328519    
 H    1.06117523      -3.26478934     -0.892970562    
 H   0.138120010      -2.42891312      -1.80267215    
 O   -7.96193779E-02 -0.499545693      -1.73025656    
 H  -0.251521170      0.354848236      -2.14440250    
 H   0.741994381     -0.387064427      -1.23308933    
 O   -1.73774326      -1.12658322      0.456361264    
 H   -1.85547197      -2.08355284      0.422056168    
 H   -1.22517025     -0.879406333     -0.324374706    
 O    2.17282319       3.78195524      0.958112121    
 H    2.88410616       3.54467654       1.56552505    
 H    2.38874960       3.42883205       8.17266703E-02
 O  -0.322324932       2.20818138      -2.47076654    
 H  -0.791394174       2.50197482      -1.67081714    
 H  -0.678820312       2.70981431      -3.19946384    
 O   0.149811968      -3.53289533       2.50002170    
 H  -0.211592510      -2.70321989       2.84528065    
 H  -0.498307407      -3.86118436       1.86469841    
 O  -0.566488087       2.72367716       3.67702007    
 H   0.217711404       2.57980037       4.22863340    
 H   -1.28149414       2.16275620       3.99617004    
 O    2.11672282      -2.83862472      0.641958594    
 H    2.97900867      -2.95418429       1.05812538    
 H    1.45213389      -3.07480216       1.30512083    
 O   -1.41486382       2.79868531      -3.57625484E-02
 H  -0.805242360       2.18171072      0.394664258    
 H   -1.25311911       3.63676596      0.422708064    
 O    2.11165452     -0.161919087       2.87704007E-03
 H    2.07783175      -1.10145390      0.236156046    
 H    1.50634873      0.337419480      0.580266595    
 O   -3.20145369       1.08782721       1.38351166    
 H   -2.85575199      0.271971077      0.996166885    
 H   -2.79908037       1.80229521      0.875230372    
 O    3.81744480       3.01497988E-03   2.25556064    
 H    3.11365342     -0.166763484       2.90469170    
 H    3.38871813       3.26540284E-02   1.39084244    
 O  -0.451753974       4.73815012       1.64770341    
 H   0.480409622       4.64896202       1.40979493    
 H  -0.564421058       4.19150925       2.43813586    
 O    2.44498587      -3.27115178       4.21993542    
 H    1.68194592      -3.59170961       3.72152281    
 H    3.18917727      -3.27593112       3.60667849    
 O    4.47417927      -2.72354531       2.18972111    
 H    4.41311646      -1.75737178       2.25560141    
 H    5.40244436      -2.93916702       2.14249921    
 O  -0.764472783     -0.968593597       3.08445287    
 H   -1.41784549     -0.448187768       3.56735539    
 H   -1.01379728     -0.915848017       2.15072083    
 O   0.596908510       1.53570509       1.44503653    
 H   0.147655055       1.75754225       2.27043200    
 H    1.13395751       2.31569433       1.23639452    
 O    1.82723737     -0.581523657       4.05918455    
 H    2.06501007      -1.48684418       4.30375624    
 H   0.929638088     -0.620371342       3.70209527    
 O    2.38511109       2.34900331      -1.40093565    
 H    2.48022366       1.44870734      -1.06822121    
 H    1.53755569       2.36800909      -1.86231959    
 O   -2.67366004      0.859267712       4.03569508    
 H   -3.46218181      0.864121854       4.57095718    
 H   -2.95565009      0.993205070       3.11178660    
          69
 Energy    -248.23436398871129     
  O      9.78447709      9.28025935    -12.32805761
  H      9.84679517      8.34516681    -12.06014944
  H     18.56608748      8.03387367    -15.13331259
  O     14.32910447      7.42483568    -15.43476632
  H      9.01563860      9.64162648    -11.89611328
  H     15.59817556     11.97283867    -14.33826766
  O     17.32217024      9.62557646    -10.10121456
  H     13.79130246      8.22821615    -15.48086738
  H     16.94634650     11.43755642    -13.82007676
  O     12.87028384      9.72014102    -15.07737465
  H     14.97294506      7.42824363    -16.15344549
  H     15.30320998      8.08798683    -14.03554594
  O     14.71290301      5.45415058     -9.87383885
  H     17.49349524     10.26641029     -9.41527498
  H     15.52092433      8.99937185    -12.76387036
  O     13.28580556      5.40878305    -13.91273582
  H     16.51091332      9.91209204    -10.55296938
  H     11.15534133      6.66431857    -11.53455866
  O     15.11876720     10.37978540    -11.55108626
  H     12.83256310      9.73027923    -14.10995614
  H     10.19795898      6.18831021    -12.63572910
  O     16.68570609     10.22932944    -16.79738458
  H     13.39183303     10.47943113    -15.36490285
  H      9.92558211      5.21505528    -15.04540239
  O     15.59364747      4.50517173    -12.48411469
  H     15.54440938      5.95721516     -9.80964651
  H     10.48084262      6.62593674    -14.73998075
  O     18.06998768      9.86707775    -14.36917928
  H     14.63663526      4.94309322     -9.07284398
  H     18.99474251      7.89300694    -12.23802961
  O     16.45053652      7.42282052    -17.26387775
  H     13.67068602      6.05509631    -14.52429217
  H     18.67061983      9.13185957    -11.39059300
  O     18.38870562      7.11929361    -15.37981877
  H     12.34893408      5.34766073    -14.13617251
  H     17.05169133      5.57303806    -12.69887254
  O     16.15530013     11.91907439    -13.55175978
  H     15.42284643     11.03445690    -12.20048503
  H     17.04416646      7.10059564    -12.90591327
  O     15.94694567      8.40351022    -13.38979294
  H     14.17251056     10.23853931    -11.68151411
  H     17.37156497      6.57908503    -10.83063752
  O     10.22258177      6.65384744    -11.79043360
  H     17.31903619     10.20246285    -16.06764320
  H     17.13181998      7.77000750     -9.88331009
  O     10.52699712      5.68915231    -14.47724847
  H     16.59128844      9.31800731    -17.09858020
  H     15.33422403     11.21383888    -16.33818486
  O     19.23038064      8.81840943    -12.11312188
  H     14.82594764      4.65368215    -13.05094681
  H     14.45642951     12.47303062    -16.54484757
  O     17.63222318      6.34915949    -12.72173343
  H     15.27966749      4.65541061    -11.58448970
  H     13.14688873      6.37628934    -12.38109421
  O     17.04137632      6.81201493     -9.95393681
  H     17.26117420      9.38416391    -14.12882578
  H     13.56079892      6.45754631    -10.89047529
  O     14.60917890     11.73988077    -15.95419173
  H     18.67690155      9.69350763    -13.63571666
  H     11.64025748      9.61283634    -12.22763880
  O     13.01949952      6.88329375    -11.56621908
  H     16.62685808      6.91327296    -18.05031180
  H     12.79010606      8.60112990    -12.00848329
  O     12.59809235      9.51192090    -12.28311847
  H     17.16303924      7.22086241    -16.63120701
  H     10.05838769      8.76241317    -14.16988881
  O     10.39112579      8.36676686    -14.98527059
  H     18.23197500      6.65679959    -14.54696208
  H     11.19274931      8.86029065    -15.20038670
          69
 Energy    -248.23433402299196     
  O     11.93195441     10.61431404    -15.18798324
  H     12.41751801     11.39106202    -14.88706284
  H     16.48446717      4.80720825    -16.19184884
  O     16.05975353      6.51664390    -13.48325737
  H     11.62912184     10.14280062    -14.40189545
  H     16.60568222     12.23702324    -15.72213478
  O     16.87405388     10.37085469    -11.11767516
  H     16.78570167      7.00902810    -13.07886572
  H     15.71478543     11.56632376    -16.80135204
  O     18.32102999     12.14655375    -14.89306080
  H     15.36710657      6.43194339    -12.81282646
  H     14.60264948      8.92320969    -15.29602397
  O     13.32829630      6.28837939    -15.98064430
  H     16.44796383      9.98566058    -10.33909553
  H     15.34038596      8.07594867    -14.21334829
  O     15.30309887      9.12570947     -9.23827632
  H     16.15464939     10.65678980    -11.70231051
  H     10.10245592      8.91558755    -12.84292980
  O     14.13980240      6.58480784    -11.52384938
  H     19.06143961     12.62297920    -15.26105201
  H     11.37011511      8.12106042    -13.23283913
  O     14.75424570     10.92676881    -12.74131402
  H     18.36694704     12.26269023    -13.92852410
  H     18.34029886      7.03021055    -11.08682420
  O     17.16631051      8.09282902    -17.32701991
  H     14.23258416      5.99408411    -16.12912008
  H     19.23402349      6.12909884    -10.22089222
  O     15.81428647      6.28665084     -9.26819870
  H     13.27824701      7.17788053    -16.35985765
  H     12.73966248      6.35673933    -12.85507538
  O     17.94864565      9.35832299    -14.94522074
  H     14.47033824      9.18815694     -9.72486326
  H     12.49303605      6.40581331    -14.38880409
  O     16.15962607      5.69997025    -16.10134255
  H     15.47431134      8.18296550     -9.12953135
  H     18.70341951     12.98597767    -11.50106598
  O     15.72453006     12.24358415    -16.11399417
  H     13.82941591      7.49570357    -11.41327811
  H     17.97152843     11.65373406    -11.71557379
  O     15.22417812      8.96902763    -14.55885893
  H     14.63101624      6.36497534    -10.72313633
  H     18.22796679      8.54815547    -13.30087983
  O     11.04233682      9.00401886    -12.97800848
  H     14.89876444     10.24278926    -13.41521795
  H     17.65330874      8.93827310    -11.92029480
  O     18.32984478      6.40702785    -10.34305631
  H     14.36407602     11.68149300    -13.19541041
  H     16.17087561      9.42460168    -17.87721081
  O     12.08896401      6.58699105    -13.52709422
  H     16.80765095      7.25213484    -17.01735547
  H     15.68944284     10.32513382    -19.03780341
  O     18.47129331     12.34926934    -12.17238835
  H     17.64149883      8.46787590    -16.57322817
  H     13.73445943      9.86742102    -11.68061993
  O     18.04920993      8.20583205    -12.41523368
  H     15.80233583      5.69334092     -8.52150305
  H     12.36785068      9.17001595    -11.66030819
  O     15.60863358     10.18864818    -18.09731909
  H     16.72235517      6.28348516     -9.61599817
  H     13.43468596     13.72974788    -14.53587085
  O     13.21067849      9.21644796    -11.19186164
  H     16.98275464      9.30117934    -14.86367604
  H     14.37559063     12.64065980    -15.10688954
  O     13.65111471     12.80371392    -14.47490988
  H     18.16804433     10.29711125    -14.97226733
  H     12.85103500      9.58402493    -16.28624585
  O     13.45730606      8.96218566    -16.71947416
  H     16.16749381      5.90281710    -15.15038285
  H     14.04718311      9.45426335    -17.30090549
          69
 Energy    -248.23431761112397     
  O     -5.14204411     -0.29764751      1.64843640
  H     -5.11725359     -0.91345104      2.39269227
  H      1.02830403     -3.41980299      0.32955741
  O     -2.97184712     -4.69199391      6.69462988
  H     -5.10904528     -0.85212325      0.86114878
  H      0.37813037      0.58363309      3.73898558
  O     -2.23340916     -1.03798652      4.22969819
  H     -2.72392978     -5.50161921      6.23176390
  H      1.32133025     -0.43822211      3.05738674
  O     -4.64431354     -2.25059099      3.63463137
  H     -2.26275899     -4.05722385      6.52327286
  H     -1.44721400     -2.83193752      1.69127224
  O      1.58584742     -1.80620443      5.81946880
  H     -1.90261008     -1.35403144      3.37225290
  H     -1.66769698     -1.43533876      1.03267385
  O     -2.41027454     -6.86633396      4.89153903
  H     -2.01701332     -0.09971047      4.24813062
  H     -1.15180221     -4.83998246      2.32087894
  O     -0.98339540     -2.93485943      5.78369014
  H     -4.97571511     -2.77817146      4.37121718
  H     -0.86580742     -4.55438545      0.80385646
  O      1.96245424     -3.64800891      3.64031589
  H     -3.84710877     -1.79480848      3.94000413
  H      0.45750629     -1.82606721      1.72594098
  O     -4.65553261     -5.94579402      3.65367218
  H      2.21647701     -1.49033472      6.46081818
  H      1.73427208     -2.49267137      2.32951797
  O     -2.79443279      1.18509378      1.38694152
  H      1.44423816     -1.08248918      5.18320523
  H     -4.34104907     -3.41720697      2.26317932
  O     -0.08252481     -1.79754279     -2.10892382
  H     -2.45616445     -7.81217757      5.00129089
  H     -3.32105428     -4.31613179      1.47700908
  O      0.46660150     -3.93980321     -0.25412780
  H     -3.20464985     -6.60229470      4.39364436
  H      2.41054167      0.24703014     -0.59003519
  O      1.17520614      0.05540327      3.87206668
  H     -1.46218458     -2.24161046      5.30636987
  H      1.83003876     -0.95475476      0.17743649
  O     -1.31527104     -1.88218016      1.81351613
  H     -0.09989410     -2.58557447      5.95241191
  H     -1.40046090      2.41465118      3.90512731
  O     -1.56222041     -4.61401767      1.47409132
  H      1.23545258     -4.27866101      3.72437753
  H     -1.78915450      1.43963451      2.77174707
  O      1.42634019     -1.84497625      1.67701819
  H      1.95605070     -3.12539045      4.45193238
  H     -3.04356300     -1.28522709     -0.68590703
  O     -4.25003439     -4.04325741      1.52812798
  H     -5.05079921     -5.35577429      4.30813589
  H     -1.57027969     -1.13072015     -1.19382389
  O      1.87686299     -0.53595367     -0.69746957
  H     -4.62220226     -5.44365108      2.83117886
  H     -6.06506600     -4.04466690      6.33569758
  O     -1.27121218      1.52295983      3.59356402
  H     -2.49128759      0.72995297      0.59310905
  H     -4.54441793     -4.23178049      6.11043620
  O     -2.22195495     -0.78852067     -0.57004831
  H     -3.66426425      0.79911862      1.56848556
  H     -0.68411413     -4.29500948      4.59094468
  O     -5.38830006     -4.03584530      5.66460565
  H      0.11461374     -1.83030859     -3.04159994
  H     -1.03979640     -5.77148151      4.29811746
  O     -0.49616654     -5.03358578      3.99361349
  H      0.63809649     -1.29656724     -1.68684900
  H     -5.31002736     -2.52462266     -1.11799808
  O     -4.64051777     -2.23127397     -0.50510452
  H      0.22698626     -3.34027367     -0.97142600
  H     -4.54055324     -2.93753980      0.15529873
          69
 Energy    -248.23396671781194     
  O     13.12715416     10.40880614    -16.03648476
  H     12.34810254     10.33724756    -15.45787318
  H     18.33165914      9.30399900    -12.30857696
  O     15.40224429      7.37389370    -12.61210534
  H     13.47923262     11.29917884    -15.90392456
  H     16.85369410      9.49154490    -16.23785854
  O     16.41668097     11.64900159    -10.95546328
  H     16.01649402      7.74982430    -11.96722163
  H     16.47029259      9.58212797    -14.75774968
  O     16.91557282     12.37613938    -14.94577192
  H     15.12785840      8.13159163    -13.15521075
  H     14.24194887      9.76031363    -14.68540124
  O     12.63782960      7.56008637    -16.20826980
  H     17.17105655     12.03973485    -11.41138486
  H     14.76134487     10.43605672    -13.39533507
  O     12.47922677     10.72993174     -8.83741022
  H     15.63368263     11.85388030    -11.48804227
  H     11.36936788     10.29282461    -13.29705243
  O     12.77284905      7.62804331    -11.75531487
  H     17.45129026     12.55256666    -14.16284261
  H     10.96758005      9.07902281    -14.14345257
  O     14.21977371     11.98714687    -12.54630351
  H     17.15694671     11.48636564    -15.22722026
  H     16.16075278      7.67235798     -7.72070621
  O     16.65544571      6.67992438    -15.03826512
  H     12.75626802      8.50640928    -16.34544654
  H     14.98049862      8.05344816     -8.64520120
  O     13.27121327      7.96376670     -9.01219524
  H     13.42343568      7.13247563    -16.57157030
  H     11.68832995      7.20058322    -14.80261431
  O     15.05586485      6.56622084    -17.22441071
  H     12.01549463     11.18939200     -8.14278166
  H     10.43165083      6.54285252    -14.18361975
  O     18.83398679      9.77632151    -12.98550692
  H     13.42826773     10.90962013     -8.70911042
  H     18.76340400     11.49914918    -12.73303759
  O     17.23863539      9.52587771    -15.34958706
  H     13.67601745      7.40754047    -12.02370718
  H     19.38619499     12.88905893    -12.45214199
  O     14.87277033      9.66371882    -13.96229983
  H     12.18736598      7.36150127    -12.47489495
  H     16.78915150      8.58725520    -10.06177816
  O     11.14692167     10.02576020    -14.19820157
  H     14.04595381     12.40784326    -13.39597067
  H     16.79298666      9.83301983    -10.96933136
  O     15.91810154      8.23384209     -8.45193892
  H     13.42382607     11.52434836    -12.24410035
  H     15.50995777     10.12401812     -8.37530237
  O     11.14078825      7.15271611    -13.99816821
  H     16.25264865      6.70620564    -14.15995530
  H     15.64822960     11.35412333     -9.29332306
  O     18.55766917     12.44404787    -12.60820213
  H     17.07957961      7.53770681    -15.15330716
  H     15.35870653      8.42054748    -17.56999612
  O     17.03900638      8.89705675    -10.94167968
  H     12.87750331      8.83134244     -8.86040277
  H     14.71576270      9.77852993    -17.23564845
  O     15.16054910     11.00953630     -8.53302209
  H     13.02376254      7.71664300     -9.91329637
  H     12.17620002     10.58048130    -10.65612381
  O     15.54002485      9.36861159    -17.51603825
  H     15.62626665      6.51249135    -16.43706092
  H     12.44233777      9.44544883    -11.67355673
  O     12.20149381     10.38067492    -11.60054830
  H     15.28989018      5.83280936    -17.78658223
  H     15.22740789     12.74211278    -15.18188119
  O     14.26463926     12.87523774    -15.25574425
  H     18.42621093      9.57453725    -13.83668088
  H     14.13404618     13.74232357    -15.63075437
          69
 Energy    -248.23380961369804     
  O     10.36339767     10.65298286    -12.36432489
  H     11.23478765     10.88666585    -12.72202251
  H     15.74465678      6.58113305    -16.18865376
  O     14.28205569      7.02085478    -15.19414857
  H      9.72544165     11.01604365    -12.97453341
  H     18.03581720      6.75205735    -15.77277125
  O     16.82289835     10.46941116     -9.94282461
  H     14.01406408      6.49888335    -14.42485483
  H     19.53670351      6.40480821    -15.63677547
  O     18.37371877      9.59513780    -16.49024255
  H     13.57345735      7.65763949    -15.35419583
  H     15.59728820     11.92474630    -14.92639803
  O     12.27292515      8.95698610    -15.24220564
  H     17.06805992      9.53126281     -9.83637304
  H     14.84729415     13.20740206    -15.35669435
  O     15.21908545      6.14727576     -9.50327821
  H     17.05347838     10.91131908     -9.13039170
  H     15.28995994      8.21792753    -14.28707638
  O     13.50910028      5.79411346    -12.84438134
  H     17.71345423      9.38173660    -17.16295739
  H     16.16927879      9.51975483    -14.14804160
  O     14.56661195      9.85807389    -11.49705737
  H     18.64338862      8.75695686    -16.09738673
  H      9.70140706      8.08130611    -10.61586889
  O     16.22473720      8.94122940    -18.23459729
  H     11.71677957      8.30217459    -14.79424593
  H     10.41684716      9.10902382    -11.52314156
  O     16.09377442      5.19496328    -12.07342009
  H     12.47141544      9.63784707    -14.58646489
  H     17.12875917      7.89287841    -12.96395380
  O     17.07542945     11.07166574    -14.62517035
  H     14.45316199      6.64300084     -9.83720675
  H     18.39890382      7.20749582    -13.49907830
  O     16.57367493      6.58561853    -16.68685185
  H     14.90555107      5.60839938     -8.78122199
  H     10.74753121      7.34929805    -12.85207962
  O     18.85386030      6.97362162    -15.29032589
  H     14.38436476      5.41645508    -12.67275342
  H     11.76178135      6.39304536    -13.49861915
  O     14.71664738     12.29238013    -15.12156118
  H     13.36760625      6.43533912    -12.13536290
  H     17.93294380     10.53596019    -11.49991378
  O     15.77111913      8.78177322    -13.66918172
  H     15.00697577      9.44289234    -12.25735675
  H     18.52463174      9.44012969    -12.40109268
  O     10.49021361      8.22045244    -11.13383909
  H     15.26203306     10.18338395    -10.91345402
  H     16.72483326      7.24547114     -9.68375191
  O     17.93527168      7.43161177    -12.68181640
  H     16.11142926      9.05966170    -19.17391724
  H     17.73151315      7.60182637    -10.80461852
  O     11.04592694      7.00790859    -13.70293977
  H     15.46235633      9.36930979    -17.80712451
  H     13.39820562      9.73139520    -16.55184808
  O     18.41370599     10.39326269    -12.32481155
  H     16.79163404      5.80526215    -12.33342951
  H     14.32180291     10.95659995    -16.44801293
  O     17.44174159      7.84868524     -9.91656499
  H     15.89807429      5.39809208    -11.14952209
  H     12.24803737      7.79391793    -10.72207430
  O     14.14169602     10.17356324    -16.98084248
  H     17.58982260     10.98803686    -13.80936650
  H     13.65179850      8.43189695    -10.91434495
  O     13.19452998      7.61226525    -10.67463597
  H     17.58785908     10.65488822    -15.33497178
  H     13.47011931     11.55706889    -13.94763639
  O     12.90063584     11.02955466    -13.37413872
  H     16.47058582      7.29643671    -17.33180918
  H     13.45614590     10.69772232    -12.65405882
          69
 Ord_Energy   -248.233765    
 O   -5.36558342      -1.26434970       3.88906264    
 H   -6.11030006     -0.777770698       4.25926781    
 H   -5.35091209      -1.03442180       2.94594216    
 O   -3.23863745       2.30220771       3.56568456    
 H   -2.91326594       3.20458007       3.66317034    
 H   -4.20583057       2.34474039       3.60076070    
 O   -7.98774910      -1.66764212      0.503650784    
 H   -7.88879871      -2.58979392      0.765920997    
 H   -7.85327721      -1.62837982     -0.456425279    
 O   -8.54583645      0.656500757       1.97496641    
 H   -8.08138180       1.34967875       1.48917985    
 H   -8.48878765     -0.144255966       1.43655360    
 O   -2.67655277     -0.386410236       4.04091549    
 H   -2.80574846      0.572425246       4.02939129    
 H   -3.55956054     -0.767833829       4.12645483    
 O   -4.67777061     -0.579084039      -2.70044541    
 H   -4.36917686     -0.465061545      -3.59562731    
 H   -4.32986927      -1.43461859      -2.39042330    
 O   -3.30104089      -2.59543133      0.910464942    
 H   -4.05830097      -1.99074197      0.970097482    
 H   -2.52598786      -2.07758451       1.15804708    
 O   -7.58084345      0.418564439       4.49040556    
 H   -8.28696823      0.442946255       5.13020277    
 H   -7.99676800      0.467576176       3.60945392    
 O   -4.83043575       1.22075224     -0.572929859    
 H   -4.71919966      0.673637986      -1.36099327    
 H   -3.96443820       1.37466633     -0.167296886    
 O   -5.68667507       5.19175529      0.669598818    
 H   -6.01216507       6.00489664      0.292288303    
 H   -5.63263369       5.33012629       1.63223970    
 O   -2.56392026       1.63349330      0.934808552    
 H   -2.83903694       1.86743248       1.83438754    
 H   -2.03541279      0.832946301       1.03165972    
 O   -5.97868252       2.53359056       3.52999496    
 H   -6.24874926       2.50284576       2.60077429    
 H   -6.50186300       1.87055409       3.99415159    
 O   -5.12361240      -3.82169151       2.69078541    
 H   -5.23969650      -3.06517768       3.28112006    
 H   -4.36110640      -3.60329700       2.13844013    
 O   -7.25042152      -4.36820412       1.12063575    
 H   -6.48634148      -4.20140457       1.70190811    
 H   -7.81752920      -4.97838545       1.58496487    
 O   -5.40256500       5.29681301       3.37512994    
 H   -5.68936110       4.40261316       3.60677171    
 H   -4.45077467       5.32064104       3.53570652    
 O   -6.35921669      -4.45147276      -1.53295875    
 H   -6.58473063      -5.29631519      -1.91556120    
 H   -6.65444946      -4.47681618     -0.609511018    
 O   -7.26257038      -1.78215587      -2.13453460    
 H   -6.47581434      -1.28531706      -2.38707495    
 H   -6.98635006      -2.70656347      -2.09071445    
 O   -6.75763798       2.59227347      0.838283777    
 H   -6.14739513       2.10361934      0.267072052    
 H   -6.54458570       3.52454042      0.705724597    
 O   -1.30193365     -0.797856450       1.75627220    
 H   -1.74840236     -0.697576582       2.61830449    
 H  -0.382004827     -0.966653526       1.94135320    
 O   -2.55275178       5.03247309       3.39873505    
 H   -1.80726731       5.59516764       3.58790469    
 H   -2.58307719       4.91677332       2.43149161    
 O   -3.90342617      -3.00020242      -1.76823068    
 H   -3.57024455      -2.93856049     -0.861764729    
 H   -4.66623354      -3.58893776      -1.72732699    
 O   -2.86803722       4.49085331      0.748748183    
 H   -3.80099058       4.64529991      0.555198908    
 H   -2.70080090       3.54968619      0.616707981    
 O   -5.41381931     -0.836103201       1.16964281    
 H   -5.20651102      -8.84058475E-02  0.597299218    
 H   -6.30811501      -1.12397730      0.945474207    
          69
 Energy    -248.23345261641091     
  O      9.24332337     -9.92318813      3.54299854
  H      9.24101928    -10.83678697      3.85230019
  H      9.16503642    -13.14469108      5.06908550
  O      7.69627037     -9.78545182     -2.61671057
  H      8.34120934     -9.60177792      3.67159974
  H      3.63427797     -8.26030392      2.50636768
  O     10.43841557     -9.29616419      1.20135051
  H      8.29487711    -10.53602563     -2.71671678
  H      3.01315812     -8.88309966      1.24552904
  O      6.60066694    -10.76570409      1.28190330
  H      7.84607584     -9.44274267     -1.72282978
  H      1.57618043    -11.44819369      3.26900230
  O      5.88288527     -7.60888863     -2.94287737
  H     11.25144086     -8.82815962      1.36958327
  H      2.71270971    -10.54275569      2.78810555
  O      5.14444103     -7.05285498      2.67770328
  H     10.05012203     -9.50701194      2.07065380
  H      5.21824063    -13.92076450      1.46952957
  O      3.55284751     -9.10466494     -0.52236858
  H      5.83263615    -11.04655323      0.77065177
  H      6.66013962    -13.76068802      0.96959642
  O      4.32495630    -13.46476962      3.06131269
  H      7.15290328    -11.54417668      1.43661670
  H     10.32667572    -11.04058352      0.38804157
  O      6.46392607     -9.38452422      3.64325177
  H      5.87091527     -7.27056862     -2.04002401
  H      9.90329408    -11.94429777     -0.80636490
  O      3.61847201     -9.04790910     -3.36705933
  H      6.60271884     -8.25313932     -2.97910494
  H      7.51294278     -9.55654076      0.42564844
  O      5.68353915     -7.31754905     -0.03402984
  H      5.06952015     -6.14327822      2.95554901
  H      8.88227921     -8.84233838      0.32312894
  O      8.80682277    -12.63893585      4.34529803
  H      5.36289447     -7.03662309      1.73145916
  H      8.92630252    -12.74033224      1.10075377
  O      2.97504759     -8.89725864      2.21125984
  H      3.39191150     -9.03817121     -1.47043826
  H      8.45183217    -13.01875169      2.56137541
  O      2.50612272    -11.45316813      3.05602561
  H      3.78179193    -10.03108365     -0.35121858
  H      6.15515477    -11.05241776      4.48112826
  O      5.75901420    -13.95677460      0.66891688
  H      3.93079514    -14.15444691      3.59109339
  H      5.57521827    -12.45132670      4.14218855
  O     10.15228602    -11.95209140      0.12579352
  H      3.66909089    -12.74668060      3.01309502
  H      6.20998789    -12.93554397     -2.44128586
  O      7.98922389     -8.85051250     -0.04039655
  H      6.44739755     -9.86972586      2.80213920
  H      6.45352995    -13.82762409     -1.19938588
  O      8.17559193    -13.03848416      1.63746172
  H      6.03841924     -8.53889886      3.46803050
  H      4.78174041    -11.57595562     -1.21078079
  O      6.21473398    -11.99268508      4.69865004
  H      3.07230921     -8.70969624     -4.07115361
  H      4.79646274    -12.54093843      0.00740393
  O      6.84324065    -13.54003083     -2.03240285
  H      4.39747891     -8.46518832     -3.30754495
  H      4.66157210    -10.65282625     -3.19511645
  O      4.49584163    -11.67230408     -0.28982387
  H      4.98112028     -7.96310734     -0.20444256
  H      6.15397842    -10.74677327     -2.80887601
  O      5.33895853    -11.26551122     -2.88562217
  H      6.52908655     -7.79118515     -0.02100975
  H      8.38314408    -12.74120866     -2.33268027
  O      9.15894028    -12.19039262     -2.54071211
  H      7.87491137    -12.45088666      4.56262763
  H      9.65865114    -12.66297223     -3.20181620
          69
 Energy    -248.23310709545802     
  O     15.70342297      9.45801730    -14.45509722
  H     16.31405583      9.62849044    -15.18682021
  H     17.62042766     11.24677654    -16.49115975
  O     15.69329456     14.45968638    -15.42117017
  H     15.30996593     10.31721407    -14.25446246
  H     19.45823494     11.96799079     -9.56040040
  O     20.27525238      9.68609579    -15.51849416
  H     15.02449468     14.85012779    -15.97928995
  H     19.87442847     10.53758539     -9.95322657
  O     20.05531093     13.70708362    -10.08586481
  H     16.31821449     14.00275901    -16.00731975
  H     20.56113004     16.87807032    -13.49149238
  O     15.31774793     12.59355105    -11.06364245
  H     20.43149486     10.53434977    -15.07001111
  H     19.09149555     16.69614809    -13.07843702
  O     21.34123761      9.70061820    -10.86058254
  H     21.03775506      9.51853995    -16.06721030
  H     21.19561474     12.79568035    -11.16594887
  O     16.57158932     10.26576852     -9.92504004
  H     19.22089982     13.81901356    -10.56900329
  H     21.79448745     11.39577807    -11.44555364
  O     19.79316059     14.30077772    -15.47880544
  H     20.46861477     14.57785707    -10.06342320
  H     16.68358403      9.01003579    -13.03114792
  O     21.22309943     16.24395635    -10.52868187
  H     16.06977226     13.20016199    -11.06305909
  H     16.94159164      9.27782389    -11.50070252
  O     20.38229082     12.03192925    -14.10590651
  H     15.64266226     11.78614890    -10.64502779
  H     17.88181263     13.21563420    -17.85150620
  O     15.23975970     12.15576736    -13.78097022
  H     20.88599293      9.25441172    -11.59763773
  H     18.49078075     13.62366965    -16.49085734
  O     17.59191155     10.29159012    -16.37979316
  H     21.86982228      9.03858680    -10.42337578
  H     22.52515953     16.53770911    -15.14061704
  O     19.15383409     11.05239378     -9.57091142
  H     17.48578037     10.56004743     -9.76163288
  H     22.22451148     15.58472272    -13.95879019
  O     19.93208439     17.06902175    -12.78473557
  H     16.26119102      9.87780622     -9.11059536
  H     18.51988042     15.09848840    -14.38924595
  O     21.79613298     12.31116964    -11.75266381
  H     20.06040621     13.49467524    -15.00942431
  H     16.99616379     15.31795951    -14.30934372
  O     17.34222940      8.96222238    -12.31930491
  H     20.50645347     14.93989530    -15.35996069
  H     22.61532778     13.91168787    -12.28691009
  O     17.70962093     13.22767295    -16.91211289
  H     20.69943875     16.58466240    -11.27573745
  H     22.39430073     15.33742676    -11.75231573
  O     21.82322922     16.05495436    -14.71272204
  H     21.41247199     16.98858548     -9.96403379
  H     20.07931793      8.78304494    -13.81035253
  O     17.82489831     15.51139843    -13.85656423
  H     19.48298874     11.86383943    -13.77797974
  H     19.05207974      8.54143200    -12.67804336
  O     22.77554646     14.84260318    -12.48882256
  H     20.94969784     12.13592579    -13.33135015
  H     17.86060194     10.67773623    -12.80572625
  O     19.99940851      8.53951426    -12.88237837
  H     15.11535270     12.34961904    -12.83836909
  H     17.03090696     11.76790493    -13.50518523
  O     17.90526976     11.58326561    -13.13682964
  H     15.24000528     12.98768564    -14.26403496
  H     17.86011736     13.01356021    -12.03563245
  O     17.78913898     13.87202889    -11.59004679
  H     18.48722866     10.02363313    -16.13804025
  H     17.76740272     14.53368008    -12.29236269
          69
 Energy    -248.23301581899457     
  O     12.32206312      9.32654138    -10.51060143
  H     12.10558582     10.16147218    -10.94978821
  H     10.21136208     12.23571095    -14.94572504
  O     15.31979030     10.09700426    -13.13099850
  H     13.24293763      9.37685559    -10.23648863
  H     15.73492641     14.20841148    -14.09663284
  O     17.58679219     14.02059539    -13.79018449
  H     14.91156106     10.90270795    -12.78623090
  H     14.76609282     13.42086141    -15.01775977
  O     16.70260741      6.57709320    -14.00670960
  H     16.18176790     10.03955883    -12.70421886
  H     17.69450289     11.35871132    -15.74690657
  O     11.73829865     11.44642371    -12.25341915
  H     17.61049563     13.37883659    -14.52495195
  H     16.54727678     12.29017789    -16.21667209
  O     12.16027953     14.76458202    -14.86431875
  H     18.26189854     14.66893552    -13.97004728
  H     18.37753983      9.19284950    -14.73044346
  O     14.62771194     12.27953697    -16.43528716
  H     17.46421128      7.05297165    -13.65117279
  H     17.46674273      8.96712839    -15.94911786
  O     15.19863085      8.69861687     -9.94237244
  H     15.96972931      6.75165644    -13.40144695
  H     17.34286522     13.05746766    -12.17064822
  O     14.30615755     12.44220357    -12.07616295
  H     11.15587333     12.16431198    -12.53158997
  H     16.08509277     12.57587296    -11.43125667
  O     14.37009829      9.62918152    -15.63129881
  H     11.81631964     10.84891406    -13.01130923
  H     11.79187324      8.82614043    -13.87001989
  O     18.78403236      8.28654256    -13.07420783
  H     12.12837320     14.37918984    -15.74869511
  H     12.71107435      9.57051327    -14.88673625
  O     10.44211127     11.67115012    -15.69353301
  H     13.08108577     14.68653682    -14.58093240
  H     16.32563731      7.16641299    -15.60541269
  O     14.80128770     14.04115208    -14.27380179
  H     13.80546368     12.58788562    -16.83581652
  H     16.29032168      6.99843846    -17.14398955
  O     17.43031547     12.28651064    -15.83013210
  H     14.50684631     11.33998800    -16.23920077
  H     11.68309437     13.33838888    -18.10467818
  O     18.05792716      9.60848251    -15.53907798
  H     15.01193279      8.14242424    -10.71698326
  H     11.47390096     12.58845169    -16.76712161
  O     17.05094012     12.54051830    -11.40930482
  H     15.24071948      8.11182921     -9.18995242
  H     11.91097274      8.13006365    -11.71795484
  O     11.87944407      9.63006738    -14.39529447
  H     14.40943502     13.05665200    -12.81773616
  H     11.10864078      6.91996010    -12.26165558
  O     16.14700310      7.62911193    -16.44385078
  H     13.37482969     12.19025636    -12.04224531
  H     16.76704407      9.53477835    -10.70665590
  O     12.08330181     13.17036894    -17.25586884
  H     14.88393435      8.92058982    -16.03657665
  H     17.43983776     10.83375442    -11.25472586
  O     11.80694540      7.53092764    -12.48032491
  H     14.80640959      9.83506608    -14.78833509
  H      9.55431659     14.08205867    -13.19106959
  O     17.45707131      9.86355019    -11.29519657
  H     19.69098304      8.13465824    -12.82042925
  H     10.92509049     14.00310156    -13.90530606
  O     10.24172554     13.47585095    -13.45262817
  H     18.39181929      8.84814135    -12.38424423
  H     13.66766656      7.36345707    -12.48799490
  O     14.61322059      7.52389584    -12.38454001
  H     10.84568032     10.87854219    -15.31511536
  H     14.78007515      8.42451687    -12.70580850
          69
 Energy    -248.23269883046481     
  O     15.82261029      8.58406682    -15.60866739
  H     16.59944396      8.43431095    -15.04747497
  H     16.44467524      9.35034115    -17.07588760
  O     14.52550432     11.87225063    -15.04007449
  H     15.15019236      8.91475883    -15.00619698
  H     16.02464046     11.77082794    -11.52495399
  O     20.06819113     10.12938207    -10.87884404
  H     14.08437232     11.18062911    -14.53603026
  H     14.96099914     11.34712841    -10.49344891
  O     19.93647555     12.52217330    -12.19626570
  H     15.47077700     11.71978294    -14.88724457
  H     18.25740372     16.16152967    -13.51103943
  O     17.46184272      8.97742257    -11.13582978
  H     20.05800360     11.02583292    -11.25398929
  H     18.68585563     17.56392364    -13.02523293
  O     17.91033376      8.69705577    -13.83135021
  H     20.71084121     10.13489318    -10.17351891
  H     20.10534033     11.74189755    -15.51902833
  O     15.01851351     12.00658933    -17.79401697
  H     20.12624582     12.21829682    -13.09532852
  H     21.27663918     12.58748912    -14.93104395
  O     18.05195316     14.36984716    -16.57291736
  H     20.35847169     13.38922792    -12.10927016
  H     15.35157101     13.70034206    -17.89208420
  O     21.09504614     14.97266098    -12.41847995
  H     16.80405085      9.67536272    -11.04301166
  H     15.21919332     15.07322607    -18.59538675
  O     18.60617110     11.65130293    -16.62409644
  H     18.32136848      9.37185024    -10.93469767
  H     19.48258290     15.45293457    -16.22894912
  O     14.09479657      9.65474873    -13.37708575
  H     18.87377116      8.76393140    -13.88492219
  H     19.86227513     16.38237395    -15.05811843
  O     16.82346874      9.79651363    -17.85401875
  H     17.68715741      8.64112799    -12.89098269
  H     17.48599981     14.68688310    -14.84173125
  O     15.43537133     11.04336932    -11.26440502
  H     14.69803929     11.90142026    -16.88728534
  H     16.09854442     14.98488274    -14.25312126
  O     19.02611605     16.73235683    -13.34574355
  H     15.61958455     11.26798100    -17.94397116
  H     21.49188788     14.86504789    -15.38911196
  O     20.72480166     11.80917228    -14.78062764
  H     18.28262830     13.44081966    -16.70734682
  H     22.98361381     14.45126831    -15.39711833
  O     15.55298286     14.65064148    -17.80896157
  H     17.23680933     14.53773100    -17.06317759
  H     20.56309195      9.42195412    -12.67117653
  O     20.21838580     15.95017180    -15.84344911
  H     21.57676772     14.78077315    -13.23322014
  H     20.79708496     10.05582048    -14.06023447
  O     17.03921863     14.95069966    -14.02489351
  H     20.43232669     15.63517407    -12.65119525
  H     17.39653270     10.41357410    -14.14673477
  O     22.13660670     14.23765569    -15.01495323
  H     18.17889939     11.02158559    -17.21454243
  H     17.26020560     11.86285756    -13.56581433
  O     20.60312014      9.22108162    -13.61366241
  H     18.09857948     11.59099646    -15.79666657
  H     14.39296190     13.74474503    -14.99828860
  O     17.16867627     11.32913351    -14.36241347
  H     14.57683573     10.08580783    -12.65521352
  H     14.76596112     14.82717295    -16.02081750
  O     14.54526457     14.69568858    -15.09041947
  H     13.53466054      8.99775092    -12.96963998
  H     17.10054334     13.71909916    -12.68748242
  O     17.22527837     12.95745144    -12.10344253
  H     16.91231591      9.12883369    -18.52927883
  H     18.18054846     12.83445692    -12.00270493
          69
 Energy    -248.23263769766368     
  O     17.79329376      8.93595118    -12.73487790
  H     16.99640096      9.48937337    -12.66067957
  H     16.01154353      8.29150750     -7.33687609
  O     12.07300814     11.88352521    -11.68183033
  H     18.25814212      9.06371642    -11.89463299
  H     13.27952496     11.00174352    -10.55544367
  O     11.55880637      9.48186873    -13.13599679
  H     12.55551330     12.16911396    -12.47808670
  H     13.80601769      9.56912549    -10.19203679
  O     16.03084372      6.87029499    -11.87606173
  H     11.46565114     12.58560848    -11.46312338
  H     18.86780799      8.30637151     -9.13056789
  O     18.78830142      9.74008964    -10.27928001
  H     12.31668491      9.54658361    -13.73050502
  H     18.08077108      8.05360233     -7.83772751
  O     20.15289982     12.05511310    -11.11172095
  H     11.58449186     10.27767130    -12.59225170
  H     16.74270058     12.90537971    -13.91169637
  O     16.54047659     10.88427873     -9.05513615
  H     16.44269065      6.36067888    -11.16578961
  H     16.61154131     13.16279925    -12.36591924
  O     11.71993506      6.96607425    -12.17035239
  H     16.69791629      7.48588622    -12.20304063
  H     17.77252436      6.30601615     -9.23134424
  O     16.79205169      9.70463429    -15.45151703
  H     19.38104618     10.48111058    -10.45341354
  H     17.57373252      4.79026113     -9.47474893
  O     14.03064320      6.88635556    -13.90182713
  H     17.97679748     10.12011566     -9.91001823
  H     15.04715818     10.45273987    -11.60608381
  O     14.07220185      9.55405238    -14.54556111
  H     21.02746607     12.42801896    -11.04672296
  H     15.77470037     11.35157157    -12.65218714
  O     16.60937808      8.97130271     -6.97642063
  H     20.03573343     11.76207315    -12.03371277
  H     19.06957781     10.27425928    -13.39054518
  O     14.00401271     10.51670791    -10.14098065
  H     15.62554273     10.81933636     -9.36275027
  H     19.08965673     11.56690181    -14.22162000
  O     18.64327887      7.61761317     -8.48952873
  H     16.59076678     10.34241388     -8.25708130
  H     17.39461739     11.35883551    -15.48993337
  O     16.11505163     13.03253761    -13.18934480
  H     11.55480943      7.86446759    -12.51087308
  H     17.87847329     12.62843946    -16.23172557
  O     17.17400225      5.64336202     -9.62121569
  H     10.88653737      6.50440886    -12.18789462
  H     14.55908196      7.53313765    -10.97201562
  O     15.56862133     10.43646739    -12.41685647
  H     17.19734689      9.18277867    -14.75152485
  H     13.01054537      7.45267098    -10.94237614
  O     19.58970198     11.06762983    -13.56450763
  H     15.83815224      9.60437185    -15.33969784
  H     18.40537815     12.80966865    -10.86256613
  O     17.75513598     12.25465698    -15.36312221
  H     13.22460975      6.73614034    -13.39327037
  H     17.11838090     12.41912585    -10.11659838
  O     13.77676995      7.79154418    -10.46350534
  H     14.75964004      6.72923352    -13.28746936
  H     13.61734841     11.65646185    -14.45659113
  O     17.46300208     13.00724759    -10.79947783
  H     14.55210371      9.86518024    -13.76077966
  H     14.35963146     12.80489223    -13.73596762
  O     13.47922967     12.46090395    -13.94760311
  H     14.03580152      8.58673307    -14.46704363
  H     15.74874732      6.40986868     -8.55237041
  O     15.12284336      7.01196169     -8.13181235
  H     16.44542513      9.01198651     -6.03807175
  H     14.51143438      7.27410665     -8.83265986
          69
 Energy    -248.23255940232221     
  O     -8.14133183     -3.58009827      5.74614623
  H     -7.35470525     -3.06388153      5.99826597
  H     -4.68337633      1.40298934      2.42614272
  O     -9.54034316     -1.77226667      2.26337163
  H     -8.18041980     -4.32381736      6.34249212
  H     -6.75083726     -0.65369497      3.74010284
  O     -7.76216600     -3.82852375      2.93998232
  H     -8.84147327     -1.34550745      2.78561115
  H     -7.93800719     -0.06278785      4.55381400
  O     -5.67959832      1.66900518      0.95349068
  H    -10.36882873     -1.45533272      2.64266310
  H     -5.92068991     -1.31958654      6.88660189
  O     -6.01285658      0.43205326      7.61752714
  H     -7.86246166     -3.82545051      3.90045829
  H     -5.50515692     -1.87416635      5.51041540
  O     -6.72337075      5.14412444      3.68392923
  H     -8.49562285     -3.29602127      2.60666960
  H     -1.93281618      4.06022818      2.65862913
  O    -10.18537750     -1.56169769      5.82245125
  H     -6.62124675      1.75401864      1.15695920
  H     -3.46637486      4.01373017      2.44891946
  O     -5.01136014     -1.26578305      3.86284464
  H     -5.59349531      0.80554599      0.52374695
  H     -8.95245335      2.73294728      4.36382682
  O     -4.93351690      4.30511308      1.54700556
  H     -5.67724734      0.80247599      8.42944242
  H     -7.79380523      3.76810863      4.43252580
  O    -11.58601956     -0.56744885      3.74485047
  H     -5.74040102      1.03035337      6.89939464
  H     -9.76541340      1.90968998      2.63075015
  O     -5.90571256     -0.90142738     -0.00077044
  H     -5.92573597      5.07409721      4.23779348
  H    -10.78441868      1.22111266      3.55931624
  O     -4.13579528      1.28693753      3.21757730
  H     -6.99500461      6.05876475      3.70941144
  H     -6.25223129     -3.40811949      2.17768110
  O     -7.65053715     -0.31273961      3.66801902
  H     -9.67086553     -0.79609393      6.11658037
  H     -4.92712277     -3.86837046      1.52526541
  O     -5.94790979     -2.11127404      6.33774969
  H     -9.56355311     -2.29742710      5.77921310
  H     -9.11125535     -1.26578748      0.61975942
  O     -2.74473773      3.75041914      3.05000846
  H     -4.54055570     -0.46128642      3.60813342
  H     -9.38146977     -1.05830754     -0.89042480
  O     -8.15484390      2.98079092      4.85711110
  H     -5.00093170     -1.88072353      3.11802762
  H     -7.73061452      0.49961567      6.85849648
  O    -10.30294792      2.04469250      3.42435316
  H     -5.64442096      4.58488095      2.13562087
  H     -8.50409421      1.49160310      5.94559777
  O     -5.41761891     -3.09328301      1.78637500
  H     -5.19953203      3.44999764      1.18089957
  H     -4.77743849      3.77879050      5.47125208
  O     -8.77590958     -0.83882802     -0.18725164
  H    -12.52450916     -0.64772487      3.89191207
  H     -3.74887976      4.43878169      4.54124603
  O     -8.49391575      0.58270066      6.27366245
  H    -11.14689491     -0.94742937      4.52848254
  H     -5.10851943      1.75325202      4.69866070
  O     -4.46789205      4.63818825      5.15417103
  H     -6.85488070     -0.94292278     -0.17197625
  H     -6.46729543      2.32306400      5.21726291
  O     -5.57478695      2.06275357      5.48664075
  H     -5.70497054     -1.66626795      0.55131853
  H     -8.07853372      0.84425449      2.32048345
  O     -8.35796624      1.36983558      1.55267772
  H     -3.49725680      2.00965979      3.21287229
  H     -8.56656632      0.73950774      0.85168506
          69
 Energy    -248.23251080947415     
  O     -3.66129296      1.60077475      4.50798076
  H     -4.58410387      1.61047566      4.22007857
  H     -2.91151939      3.80095576      0.20027822
  O      0.02293490      3.71557644      4.46108176
  H     -3.26955852      2.39848699      4.12301807
  H     -7.76072847      4.86426542      2.86177140
  O     -0.79185318     -1.01118412      2.15176475
  H      0.47336138      4.28832927      5.07612516
  H     -6.24850728      4.75919165      2.54671181
  O     -1.60479712     -0.12623982     -1.74633742
  H     -0.32084538      2.96175128      4.97540471
  H      0.88735661      2.58570679      3.15749009
  O     -4.14980123      1.06245224      1.22802907
  H     -0.66833034     -0.21500463      1.61498359
  H      0.80087004      1.72727531      1.86307044
  O     -6.12309871      1.73404071      3.10557819
  H     -0.21018494     -0.92469028      2.91699062
  H     -2.41257073      3.62963537      2.39091125
  O     -6.92828559      0.97997281     -0.73354939
  H     -1.44003792     -0.01660025     -2.67978482
  H     -1.64360063      3.97375053      3.69633407
  O     -3.35813811     -0.80737839      3.13295678
  H     -2.56886000     -0.09235393     -1.62954315
  H     -4.43230724      5.48217252      1.48136502
  O     -4.12418514      5.04594759     -0.38314064
  H     -3.79541106      0.36307093      1.79292154
  H     -3.94082079      5.01878628      2.86813696
  O     -4.32698641     -0.24234879     -1.18584528
  H     -4.89074441      1.43654533      1.72097634
  H     -4.80446081     -1.75427812      2.51488898
  O     -4.28090750     -2.96258676     -0.38218011
  H     -6.53641593      2.59527095      2.96076041
  H     -5.16518916     -2.49407282      1.21036008
  O     -2.43426697      3.10328611      0.66620984
  H     -6.71551137      1.05867752      2.74938212
  H     -1.95490745      1.40049799      5.41689641
  O     -7.09499605      4.27663452      2.51571239
  H     -6.15559502      0.52287943     -1.08397461
  H     -0.53826037      0.76504548      5.28586413
  O      1.27308734      1.82849301      2.69914519
  H     -7.17580249      0.51046648      0.07279231
  H      1.07221117      0.45905060      3.76504627
  O     -2.52658791      3.88143988      3.31909653
  H     -3.38843600     -0.04109189      3.72246286
  H      1.58442986     -0.64666247      4.72313538
  O     -4.66826134      5.46778354      2.41718587
  H     -2.43979916     -0.94653264      2.86489068
  H     -8.36956705     -0.72117520      1.96374363
  O     -5.54836881     -2.10643805      2.00615973
  H     -4.95471030      4.53354042     -0.40266175
  H     -6.84842692     -0.98735625      1.86774385
  O     -1.02545712      1.51366489      5.65128195
  H     -4.16149077      5.66006776     -1.11062503
  H     -1.28651739     -2.13613959      0.74160978
  O      0.79497003     -0.28954354      4.32533562
  H     -4.42261556     -1.18015420     -0.97271802
  H     -1.48572208     -1.76885531     -0.73856176
  O     -7.53380241     -0.29940794      1.78304721
  H     -4.31615273      0.23808628     -0.34216456
  H     -1.05983397      1.97455474      0.55211868
  O     -1.63254432     -2.47328856     -0.09528928
  H     -4.41936121     -3.78088979     -0.85157041
  H     -0.68134896      0.77944674     -0.33469084
  O     -0.44474051      1.22889673      0.48554288
  H     -3.32135854     -2.88197935     -0.23536293
  H     -6.80946243      3.83013259      0.64972682
  O     -6.41294018      3.65903861     -0.21159449
  H     -3.06636017      2.38210979      0.81906754
  H     -6.62987162      2.74621441     -0.44722195
          69
 Energy    -248.23236079340711     
  O     -7.65171469     -1.53904744      6.53135574
  H     -6.74639472     -1.21376314      6.61438660
  H     -4.34871945      1.00808560      1.34924292
  O     -9.43756813     -0.90727950      3.58489556
  H     -7.64554305     -2.19738831      5.82694292
  H     -6.33639578      0.21778576      3.62519780
  O     -8.04638481     -3.20588884      4.18947819
  H     -9.82241337     -0.58075076      4.40590976
  H     -7.37668697      1.21653543      4.23231431
  O     -5.59015847      0.87708012      0.02017920
  H     -8.62798128     -0.38474157      3.46039742
  H     -4.80666077     -0.64365210      5.59955094
  O     -5.32007750      2.25376529      6.16495908
  H     -8.61741663     -2.46337448      3.93015878
  H     -4.22917652     -0.96749816      6.99839812
  O     -4.97209555      5.50936898      0.32599323
  H     -8.59589929     -3.98623369      4.19297138
  H     -2.07147490      3.58651347      1.32739135
  O     -9.88536335      1.55259784     -0.05452056
  H     -5.93174350     -0.02084933     -0.06396526
  H     -0.86042711      2.84872710      0.70448543
  O     -9.79979940      0.09138983      6.23030253
  H     -6.31393030      1.40843462      0.38478772
  H     -8.06755776      4.58671307      3.51296397
  O     -4.70359221     -0.66273881      3.87009743
  H     -5.14875526      1.34090906      6.42100214
  H     -9.60197305      4.62340300      3.56668148
  O     -4.14410984      3.17189364     -0.80820936
  H     -6.28347295      2.33357926      6.12000624
  H     -6.16627406     -2.39676391      1.62808879
  O     -6.83463602     -1.67203574      0.00945212
  H     -4.72742081      4.68644654     -0.13395938
  H     -6.57505224     -2.97006734      3.01186818
  O     -3.70864648      1.14332516      2.06291650
  H     -4.98771790      6.19780466     -0.33337489
  H     -9.64868925     -0.19446104      0.41847457
  O     -7.18238942      0.65250418      3.46978196
  H     -9.94575072      2.03694038     -0.87425195
  H     -9.56471229     -1.05629240      1.69815066
  O     -4.98043991     -0.58034690      6.55605734
  H     -9.09807257      1.89359003      0.40053032
  H     -8.75829780      1.64019072      5.86419543
  O     -1.80529608      2.79976021      0.81755490
  H     -9.03528827     -0.48548856      6.41657899
  H     -8.41754982      2.99409867      5.13561347
  O     -8.83086723      4.38818429      4.07753565
  H    -10.40831502     -0.01595922      6.95616579
  H     -3.36479834      4.43984140      2.89070960
  O     -5.81924914     -2.69462910      2.47814157
  H     -4.99548319     -1.44194690      3.37154299
  H     -3.51235111      5.27590500      1.60696370
  O     -9.35684038     -1.05326013      0.75647073
  H     -4.20455631     -0.09045356      3.27255737
  H     -4.74632607      2.95723755      4.63126349
  O     -8.04262531      2.22375231      5.58746844
  H     -3.28038678      3.00724173     -0.40927272
  H     -4.31107266      2.50404118      3.20174389
  O     -2.85692276      4.88621061      2.19785648
  H     -4.64620663      2.35452849     -0.69649532
  H     -7.29203293      3.13941390      1.61078552
  O     -4.55689340      3.27049213      3.73520466
  H     -7.75315104     -1.46345489      0.25885279
  H     -7.49300690      1.66793098      2.04850974
  O     -7.58759449      2.27555124      1.29882906
  H     -6.88269594     -2.25312924     -0.74570127
  H     -5.90364684      4.15718367      2.96138674
  O     -6.58576718      4.60407710      2.43532869
  H     -2.94695656      1.58857319      1.67313784
  H     -6.12630255      5.04479416      1.71032657
          69
 Energy    -248.23228101015209     
  O     14.10307046     12.32812008    -12.04959582
  H     14.99969148     11.98054810    -11.98094195
  H     14.78467618      6.56396750    -15.10779435
  O     17.51457387      9.54021180     -7.95865781
  H     13.89029042     12.65815649    -11.16710984
  H     11.01393749     10.51110744     -9.32463837
  O     17.05728790      6.88299192    -11.23892307
  H     17.98814233      9.43071784     -8.79141769
  H     11.38408280     11.03231535    -10.73067020
  O     14.04629713      4.73656008    -10.74256613
  H     16.70932880     10.02952910     -8.17464792
  H     15.26121839      8.97155953    -16.10552072
  O     17.00078742      7.07160385     -6.89248719
  H     16.86902258      6.11436353    -11.79297944
  H     15.69412089      8.47957859    -14.71559249
  O     16.54455895     10.92770840    -11.32580484
  H     16.51805382      6.77717223    -10.44065690
  H     18.16736565      8.26544352    -10.80599522
  O     13.36318051     12.86312576     -9.31355239
  H     14.69932644      4.64316652    -11.44540646
  H     19.54238861      8.96535611    -10.80506319
  O     10.06558989      7.36326009    -10.68514875
  H     14.48327819      5.24892863    -10.04898297
  H     15.95704735      6.56289832     -8.24046368
  O     15.14414211     10.72403138     -8.93279121
  H     17.28893642      7.01668948     -5.98603802
  H     14.74891582      7.17652075     -9.00809277
  O     13.45940621      8.20051182    -11.98155361
  H     17.22028244      7.97075560     -7.19202894
  H     12.69522406     11.22791861    -12.44053197
  O     11.42418867      4.94719087    -11.31490457
  H     16.04182210     10.87849637    -10.49818531
  H     12.54985553      9.70826158    -12.23650396
  O     14.45288613      5.77777871    -14.65149615
  H     17.38423390     10.49034598    -11.13919739
  H     11.67064976      5.85767194    -12.90091593
  O     11.20809730     11.31366527     -9.82280275
  H     12.54211353     12.35120153     -9.42980318
  H     11.26305974      7.16781452    -13.63885273
  O     15.45741013      8.18134469    -15.60858778
  H     13.12194203     13.68192507     -8.88974505
  H      9.43652422      9.05596984    -13.74416130
  O     18.62275055      9.09427850    -10.58539392
  H     10.51053151      6.52022562    -10.83986761
  H     10.75625721      9.43066559    -13.03458108
  O     15.41708374      6.47748215     -9.03881504
  H     10.00636480      7.80611892    -11.53946078
  H     10.32344007      8.56343626     -7.77761229
  O     12.04212665     10.51445483    -12.41515235
  H     14.56633257      9.95027571     -9.00092050
  H     10.49981758      8.26824296     -9.28813373
  O     11.92942597      6.47057346    -13.60341989
  H     14.57562350     11.50373948     -8.93695490
  H     15.50951137      5.10890110    -13.48138409
  O     10.16377995      8.68971688    -13.24715025
  H     13.02663635      7.52575441    -12.51643715
  H     16.49129645      3.96773240    -13.12710003
  O     10.83796731      8.79954864     -8.54434815
  H     14.32228976      8.37978134    -12.37875043
  H     12.63978144      8.56429840     -8.91067131
  O     16.07915721      4.75210855    -12.77522381
  H     12.36341144      4.86968698    -11.06606131
  H     13.46850041      8.35164029    -10.21286783
  O     13.53679365      8.48506068     -9.25484673
  H     11.03905934      4.08290403    -11.19721503
  H     16.38093959      8.08950488    -12.42853760
  O     15.96527741      8.78551438    -12.95605922
  H     13.53430915      5.96250771    -14.42081860
  H     16.12918312      9.61748919    -12.49171914
          69
 Energy    -248.23220884077418     
  O     -9.49588887      1.24057262      6.20239106
  H     -9.65519246      1.97220507      6.80866519
  H     -4.54164937      0.09481971      0.77007113
  O     -4.95770970      0.50336221      5.68724272
  H     -8.71067695      1.46973024      5.67968912
  H    -10.65922797      1.06729966      4.86234703
  O     -7.82845179     -2.31098269      4.40035561
  H     -5.23668127      0.41938521      6.60835723
  H    -10.72342554      0.34802181      3.49827727
  O     -7.03843989      2.92238717      8.25829616
  H     -4.38006510      1.27448637      5.61989300
  H    -12.78062864      4.21510788      4.52531994
  O    -13.30844740      2.51266537      4.98961719
  H     -7.91251363     -1.90450071      5.28071770
  H    -11.63262455      5.22110986      4.77151886
  O     -7.25828649      1.82044843      4.69215733
  H     -8.00525371     -3.24154827      4.51444568
  H     -7.91728460      2.07004518      1.49686114
  O     -6.06871753      0.38634289      8.25258029
  H     -6.63660005      3.40008646      7.52023929
  H     -6.75761352      1.03592018      1.67489469
  O     -9.75597352      3.59802033      7.70942590
  H     -7.97322648      3.15845493      8.23308514
  H     -8.98747829     -1.29837070      3.25877761
  O     -7.29023244      6.25169993      4.60357056
  H    -12.64260019      1.90456599      4.63110060
  H     -8.86693072     -0.05901490      2.35660360
  O     -4.50789854      3.12391435      2.56678912
  H    -14.13693295      2.04054777      4.95301364
  H     -8.87789163      5.41219170      5.07205436
  O    -10.45380340      3.47221176      2.90635720
  H     -6.52709201      1.25318519      4.97089084
  H     -9.76881733      4.28507033      4.49891753
  O     -5.00082532      0.51507205      1.49175497
  H     -7.39865419      1.67263547      3.74814659
  H     -7.23456685      4.58680157      1.80544243
  O    -11.16083722      1.02483448      4.03450758
  H     -5.73199276      0.17711712      9.11967427
  H     -5.82519766      4.35177674      2.41216885
  O    -12.35432435      5.01077958      4.16952047
  H     -6.44167215      1.28440438      8.30626163
  H     -8.71559209     -0.35459715      6.67415137
  O     -7.64326644      1.27781694      1.97457069
  H     -9.71823813      4.08886510      6.86979655
  H     -7.39378784     -0.70896864      7.36663443
  O     -9.50299760     -0.69684899      2.70873272
  H    -10.54657794      3.88312352      8.16038341
  H     -5.11041335     -0.70398382      4.33125187
  O     -9.62418828      4.83602884      5.27929101
  H     -7.10622046      7.18277581      4.52217317
  H     -6.19451460     -1.63404376      3.75005450
  O     -6.56713691      4.97355294      2.38269069
  H     -7.02699569      5.83408071      3.76045093
  H     -4.46287068      3.45445011      5.57325726
  O     -8.08922276     -1.07916437      6.81237178
  H     -4.11151457      3.01851236      3.43823727
  H     -2.91892433      3.45543743      5.69427871
  O     -5.36383629     -1.19262508      3.53545149
  H     -4.59143193      2.23712559      2.19615257
  H     -9.32621408      3.64747190      1.60608052
  O     -3.65517405      2.96473775      5.33863137
  H    -11.20181617      4.04647393      3.12583263
  H     -9.05980788      3.89463135      0.10045898
  O     -8.63100352      3.67769015      0.92379330
  H    -10.67641613      2.58300259      3.21464600
  H     -6.44302340      4.88771003      5.52309877
  O     -6.10641066      4.04930975      5.85907297
  H     -5.08886362     -0.15201849      2.19749435
  H     -6.57761644      3.34600046      5.38374032
          69
 Ord_Energy   -248.232193    
 O   0.800926745     -0.721686363      -2.32840347    
 H   0.711840153      0.241721883      -2.23603821    
 H    1.20055044     -0.877927780      -3.18043065    
 O   -4.19051981       3.92854047       2.28855467    
 H   -3.66394162       4.35609579       2.97405386    
 H   -3.76536584       3.08186007       2.09567070    
 O    1.47731376      -1.83342457      0.239574611    
 H   0.620912790      -2.17425990      0.528394043    
 H    1.33918226      -1.49372423     -0.653205454    
 O   -2.56931615       1.74447894       1.51750302    
 H   -1.87268782       2.40996408       1.62985027    
 H   -2.59876823       1.55816960      0.569085062    
 O   -1.21821034      -2.43084955       1.09609878    
 H   -1.51383126      -2.04505396      0.251262844    
 H   -1.64502692      -3.27992105       1.17363846    
 O    2.51207352       4.07277727       4.23626804    
 H    3.21419549       4.44585514       4.76532459    
 H    2.63444352       3.11001325       4.25338459    
 O  -0.589466572       3.60441422       1.84476149    
 H  -0.873824298       4.47485447       1.54001737    
 H  -0.435200155       3.67696929       2.79526544    
 O   0.647080064       5.99706268     -0.242401943    
 H    1.37284184       5.70344782      0.325676590    
 H   -6.94083199E-02   6.27536964      0.340976030    
 O   -2.31105757       1.43559361      -1.22572172    
 H   -2.71201134       2.26115823      -1.53470469    
 H   -1.36375463       1.54192626      -1.38510466    
 O   -1.80639291      -1.30418789      -1.28935075    
 H  -0.966026962      -1.23143780      -1.75847387    
 H   -2.18211341     -0.413167238      -1.30056882    
 O  -0.160195634       1.26796150       5.04361582    
 H   0.792546868       1.15018475       4.95963621    
 H  -0.564670026      0.680137813       4.39103603    
 O  -0.186875328       4.64636230      -2.43199205    
 H   0.139350787       5.13413382      -1.65448380    
 H    5.99238016E-02   5.16116428      -3.19615650    
 O    1.53084207       2.37323380      0.609870255    
 H    1.64816713       1.55691040       1.11076987    
 H   0.782415628       2.84161687       1.01328671    
 O    1.61135530       7.73355290E-02   2.17034721    
 H    1.74561441     -0.614418685       1.50665522    
 H   0.674580574       4.01397683E-02   2.41233563    
 O   0.415736347       1.95575452      -1.84105420    
 H   0.236026615       2.84191656      -2.17825580    
 H   0.884571850       2.07731318      -1.00104451    
 O   -2.47679615       5.49594927       4.05877972    
 H   -2.80287051       5.95959091       4.82620478    
 H   -1.71350968       4.97223473       4.35441351    
 O  -0.275894254       3.94957685       4.60082626    
 H   0.666671097       4.15383816       4.56224823    
 H  -0.351599097       3.01559639       4.85364342    
 O   -2.95215344       3.98574448      -1.96689808    
 H   -2.05809450       4.30543661      -2.14149976    
 H   -3.32654500       4.56410980      -1.29195881    
 O   -4.03379345       5.57865095      0.141230047    
 H   -4.18451118       4.95940447      0.878171027    
 H   -4.85169125       6.04965258       4.79961000E-03
 O   -1.61595798       6.20415688       1.42366767    
 H   -1.88778019       6.14305496       2.34793019    
 H   -2.42231846       6.10353613      0.899230838    
 O    2.62342072       4.83458614       1.38331044    
 H    2.45264602       3.95658135       1.01381588    
 H    2.60277677       4.70578671       2.33665514    
 O    2.69105601       1.27799392       4.34353304    
 H    3.32855010      0.701633453       4.75806856    
 H    2.39604068      0.825485587       3.53374219    
 O   -1.08422256     -0.199070394       2.81123614    
 H   -1.68199217      0.437947303       2.39351773    
 H   -1.18601418      -1.03018641       2.33025885    
          69
 Energy    -248.23182271554487     
  O     11.42441861      7.34790492    -11.53464625
  H     10.51872463      7.40688779    -11.24423672
  H     19.16397808      8.17522844    -12.36850987
  O     16.72713327      5.10858864    -12.26020876
  H     11.82580673      8.22416270    -11.38968170
  H     15.69423723     11.53260385    -13.70932175
  O     15.79169106     11.82618115    -11.90553829
  H     15.96312115      4.60046078    -12.55732361
  H     16.24510929     10.41888003    -14.62689541
  O     13.17709366      7.34680791    -17.59387305
  H     17.34366959      5.19692514    -13.00449410
  H     15.92255423      6.76648498    -12.55765950
  O     15.17905860      7.09748118     -9.16174419
  H     15.53940390     12.52730394    -11.30886999
  H     14.63852000      7.46620875    -13.11456514
  O     14.20978831      5.61833247    -15.49080042
  H     15.74303478     11.00844296    -11.38805160
  H     12.72099822      6.08806570    -11.00029658
  O     13.02618672     10.14650611    -14.21114125
  H     14.00922176      7.58705262    -18.02245433
  H     13.68429302      5.03388960    -11.58625322
  O     14.90309730     10.60185017    -17.28853655
  H     13.39151817      6.62303395    -16.99542037
  H     18.12086646      5.06564144     -9.37555680
  O     18.38131720      5.66384457    -14.34666557
  H     14.56875640      6.54124547     -9.66867320
  H     17.33017639      5.46643503    -10.64344662
  O     17.22472060      8.93588901    -14.50248219
  H     16.02223692      6.63094613     -9.18058161
  H     14.00960980      3.15568466    -13.37734887
  O     16.62008065      6.87658934    -16.25457071
  H     13.71802166      6.27523031    -14.97036019
  H     14.26995481      4.51114501    -14.06689373
  O     19.56030531      8.07033794    -13.25203800
  H     15.06725056      6.00738649    -15.71547380
  H     15.36051082      8.67788202     -9.97741202
  O     15.59936339     11.14038802    -14.58845354
  H     12.61269005     10.12711035    -15.08404063
  H     15.52484073      8.78322726    -11.49802108
  O     15.54697200      7.61438145    -12.82542500
  H     13.91507595     10.50999639    -14.33168751
  H     17.51125965      8.81904655    -10.70753183
  O     13.50138073      5.55598728    -10.79886069
  H     13.95078712     10.47040135    -17.20361541
  H     18.19219679      7.47662466    -10.39689146
  O     17.66450509      5.79308795     -9.78971952
  H     15.20190455     10.93224847    -16.43178070
  H     16.04700708      8.49201284    -19.37186330
  O     14.31771746      4.04437381    -13.21639184
  H     18.88415325      6.42992976    -14.04215224
  H     15.50487450      9.16173282    -18.08658061
  O     15.51088666      9.31935423    -10.68925516
  H     17.87484037      5.95514857    -15.11561061
  H     13.59847298      9.69995688    -11.06431670
  O     18.32525191      8.32483295    -10.84167064
  H     16.62209213      8.48311555    -13.88908983
  H     12.76729007     10.04360873    -12.32223612
  O     15.70534446      8.30348841    -18.50213183
  H     18.11563826      8.78867640    -14.16323070
  H     12.45524248      8.87582553    -17.09460577
  O     12.69905422      9.74005418    -11.40669926
  H     16.83346725      7.63844090    -15.69563078
  H     11.39840798      9.97243266    -17.36327471
  O     12.18063373      9.77847334    -16.85380678
  H     16.40486513      7.24848948    -17.11835189
  H     12.97708456      8.36279197    -14.04153216
  O     12.96468588      7.41113855    -13.86501677
  H     20.46413424      8.36578517    -13.18415931
  H     12.34067926      7.26907788    -13.14296978
          69
 Energy    -248.23181364518200     
  O     15.41594308      9.88305511    -11.96378024
  H     16.08741703      9.56967195    -11.34072541
  H     17.26991823      6.93668616     -6.32202712
  O     15.78567887      4.84205468    -11.11929931
  H     14.83117197     10.46603331    -11.45728327
  H     12.40730973      8.78709939    -12.13713279
  O     13.33283431      6.07588401    -10.78998331
  H     15.73927287      4.64213746    -12.06327167
  H     13.95320663      8.78521132    -12.27200523
  O     17.89829897      6.60331024    -13.78553356
  H     16.57678313      5.38966225    -11.00902645
  H     18.14959397      6.50786646    -12.01223554
  O     15.54200056      4.32755106     -8.26102524
  H     14.15208258      5.58917014    -10.95917043
  H     17.74124543      7.33737183    -10.76115977
  O     16.42918176      9.01695942    -14.38242756
  H     13.23269091      6.76764054    -11.45914250
  H     15.55286075      4.07191361    -14.60496558
  O     18.84898688      9.12394605     -7.89697372
  H     17.48003981      7.43888140    -14.02714984
  H     15.14750773      5.51181572    -14.21209026
  O     17.08069201      8.85868883    -10.03594571
  H     17.23471880      5.91899222    -13.93638052
  H     14.14329277      7.37040115     -5.89699347
  O     14.86423714      7.61979530     -9.03067264
  H     16.39420078      4.55035456     -7.86250658
  H     14.07892633      8.16250943     -4.57155257
  O     13.58611787      9.73816877     -7.80683405
  H     15.65439693      4.37381536     -9.21710262
  H     10.99826691      5.18366679     -8.77973134
  O     11.14862434      8.70997210     -8.80471918
  H     16.72615622      9.74636721    -14.92101907
  H     12.19123259      5.88570356     -9.47181943
  O     17.15116840      7.88713365     -6.19887669
  H     16.09317607      9.40232502    -13.55633781
  H     12.72812042     10.86437721    -10.66306265
  O     13.15779472      8.25992550    -12.43893600
  H     18.23929017      8.74993910     -7.23433526
  H     13.62089419     10.88444384     -9.41156891
  O     18.04910481      6.46698941    -11.05049047
  H     19.35476370      9.80159651     -7.45755563
  H     18.48032826      5.56943765     -7.52928335
  O     15.67741323      4.74203743    -13.93808113
  H     16.33333493      8.41918032     -9.59970610
  H     18.35077411      4.61241760     -6.32164427
  O     14.39531281      8.20835500     -5.47050387
  H     17.71537146      9.09113132     -9.34749826
  H     14.41188516      5.27519965     -7.31058130
  O     11.62516684      5.89557801     -8.67943824
  H     14.75568287      7.05237377     -8.25880638
  H     13.00805761      5.93053123     -7.41193599
  O     13.59089017     11.15028919    -10.33853059
  H     14.35124432      7.19487155     -9.72880592
  H     10.33934397     10.23649631    -11.46867944
  O     17.85046625      5.19559324     -6.88685785
  H     14.04714608      9.07492461     -8.34386168
  H     11.08527448      9.42703420    -10.37902403
  O     13.84756901      5.97119006     -6.93688172
  H     13.79987743      9.49701226     -6.89965440
  H     19.45372921      7.34595122     -8.45167344
  O     11.18278507      9.84923808    -11.25187724
  H     11.90631814      9.09901591     -8.34736316
  H     19.10732733      6.32147034     -9.55499269
  O     19.48137055      6.40592096     -8.66596394
  H     11.22452807      7.75461369     -8.69898110
  H     15.07952128      7.70513225    -14.73550523
  O     14.39296177      7.03385867    -14.63220882
  H     16.24676689      8.03110646     -5.90056130
  H     13.78772822      7.40089902    -13.97455271
          69
 Energy    -248.23175841498875     
  O     14.87544545     11.84938019    -12.40367729
  H     15.69249010     11.40404471    -12.14714550
  H      9.97944491      5.48917479    -10.48948213
  O     17.69876387      9.50478355     -7.67781660
  H     14.41836796     12.06609733    -11.58264489
  H     12.92094005      5.87669020    -14.30137553
  O     16.54391726      5.74820709    -11.12066785
  H     18.34467590      9.55468755     -8.39325121
  H     14.22696850      6.47191421    -14.86555266
  O     13.04237740      4.88165256    -10.37388690
  H     16.91257013      9.96704970     -7.99907976
  H     14.29220702      8.91724910    -14.90376359
  O     18.74493497      6.67359745     -9.66698575
  H     16.04741296      5.10854944    -11.64625129
  H     15.52658176      8.14279862    -14.42986260
  O     17.22089054      6.87294878     -7.22432017
  H     16.00284307      5.93760366    -10.34027610
  H     19.18532424      8.33959322     -9.96561065
  O     16.99694384     10.24829520    -11.26256507
  H     13.56802347      4.55519035    -11.11435326
  H     20.27720694      9.41432871    -10.17901911
  O     13.48029624     12.35050269     -9.89358388
  H     13.67388153      5.24114703     -9.73818820
  H     15.70047025      6.40668552     -8.19587801
  O     10.27870608      8.91744835    -10.97385378
  H     18.33573547      6.61566902     -8.79514005
  H     14.47799303      7.06801275     -8.89563359
  O     15.43428622     10.54129186     -8.95327615
  H     18.11890089      6.25440094    -10.27259780
  H     13.73969705     10.84016456    -13.39254100
  O     13.60479284      7.97279950    -11.97505607
  H     17.48985352      6.62786463     -6.34303102
  H     13.31333421      9.40553375    -13.05080657
  O     10.65479059      6.08103948    -10.81097704
  H     17.37314507      7.83140986     -7.30834517
  H     11.08172844      6.34994886    -12.60395898
  O     13.83329452      5.65434087    -14.53040032
  H     16.45812788     10.34120321    -10.46454424
  H     11.10168879      7.48476771    -13.66455599
  O     14.86452926      8.17826736    -15.13568432
  H     17.88260724     10.01869572    -10.95355572
  H     10.07103224      9.70317693    -14.47716008
  O     19.34242087      9.29879397    -10.03201556
  H     12.74034779     11.75232874     -9.70474472
  H     11.47880940      9.70274752    -13.83393026
  O     14.99514556      6.25157274     -8.83640754
  H     13.16977930     13.23586459     -9.71763639
  H     10.87925178     10.60842493     -8.45462680
  O     13.17172553     10.11749687    -13.69248149
  H     10.40299117      7.96631970    -10.86414677
  H     11.00432752      9.99258361     -9.86754043
  O     11.48821345      6.63092204    -13.43364741
  H     10.30833092      9.09400218    -11.92203634
  H     14.47019517      4.65340030    -13.29295879
  O     10.59122454      9.30499004    -13.78456288
  H     14.84628320      9.77631624     -9.03701580
  H     14.88891081      3.22645486    -12.86998754
  O     11.47438692     10.51878802     -9.19471414
  H     14.88842842     11.31025684     -9.15303458
  H     12.79401979      9.12543193     -9.14928406
  O     14.76767229      4.11223251    -12.53885663
  H     13.04744044      7.36475027    -12.47240348
  H     13.52706109      8.34848323    -10.27558254
  O     13.54904959      8.55547332     -9.32618038
  H     14.51526956      7.88167300    -12.29173408
  H     16.50873952      7.21688903    -12.20044888
  O     16.27171599      7.99247919    -12.72598076
  H     11.50963760      5.66178404    -10.60439001
  H     16.56811151      8.77962923    -12.24968442
          69
 Ord_Energy   -248.231613    
 O   -7.08968019      0.529051125       4.15432835    
 H   -7.03079081       1.02747405       4.97805309    
 H   -6.26884222      0.731472731       3.68346071    
 O   -4.31160593      0.475652367       9.81261539    
 H   -3.84319496       1.27823055       9.54760933    
 H   -3.65444875     -0.230294511       9.82201767    
 O   -2.62036395      -2.56937480       5.13337374    
 H   -3.27758193      -2.96137834       4.53430414    
 H   -3.01767015      -1.73829877       5.42096567    
 O  -0.823675454       4.36449957       8.16303635    
 H   -1.39219093       5.04308224       7.77637434    
 H  -0.254076302       4.06006861       7.44608831    
 O   -2.28454494      -1.53926849       9.50454617    
 H   -1.78218889      -1.99532413       10.1739273    
 H   -2.68545294      -2.22116280       8.93570518    
 O   -1.23039806       5.19989204       4.51432037    
 H   -1.70228171       5.63279247       5.23697710    
 H  -0.491296381       4.73330212       4.92541742    
 O   -2.77926612       5.97629118       6.80526495    
 H   -3.41047692       5.24381351       6.71116781    
 H   -3.29005837       6.75124025       7.02574921    
 O   0.635850728       3.45151234       5.84560776    
 H    1.58176172       3.38482738       5.73680401    
 H   0.263247639       2.60419130       5.55385447    
 O   -4.42153549      0.905831456       3.43806219    
 H   -4.28403568      0.417194903       4.26262712    
 H   -3.89703941       1.71197999       3.53017282    
 O   -3.31410217      -1.19377363       1.96211338    
 H   -2.41363263      -1.16143858       2.29983449    
 H   -3.73999834     -0.397283405       2.30914760    
 O  -0.671672046       1.10956597       5.10751581    
 H  -0.978505015      0.781862557       5.96636057    
 H  -0.630087018      0.352207035       4.51079416    
 O   -3.43467474      -3.24560547       7.76737165    
 H   -4.35678053      -2.99029398       7.62723398    
 H   -3.02962732      -3.24403095       6.89113379    
 O   -4.62954712      -3.18391871       3.42563748    
 H   -4.28466558      -2.54026937       2.78736162    
 H   -5.47849321      -2.85139728       3.73435330    
 O   -4.06156015     -0.225573748       5.99517632    
 H   -3.32501936      -1.07660703E-02   6.58390760    
 H   -4.63555861     -0.875161350       6.42851543    
 O   -6.15647125       1.63410699       6.61891985    
 H   -5.41793776       1.06765413       6.35428333    
 H   -6.52080536       1.22201598       7.41193914    
 O   -7.10741949      -2.14691329       4.62441111    
 H   -7.90419769      -2.54884553       4.28722906    
 H   -7.15823221      -1.19940150       4.40766478    
 O   -2.70243049       2.89203978       4.28495407    
 H   -2.24529195       3.73880601       4.18182468    
 H   -2.02753568       2.24296999       4.52382946    
 O   -1.79943454      0.330754220       7.49176025    
 H   -1.80085838     -0.351292521       8.17452908    
 H   -2.09277034       1.15329015       7.91256857    
 O   -6.78929043       3.19283903E-02   8.85346127    
 H   -5.91657543      0.190766066       9.25969219    
 H   -7.43318033       7.20326006E-02   9.55505085    
 O   -4.27208233       3.66630626       6.44887590    
 H   -5.07455063       3.13159513       6.49450541    
 H   -3.77043796       3.36910224       5.67458200    
 O   -2.85285449       2.59101200       8.62379932    
 H   -3.42280746       2.94343853       7.92746639    
 H   -2.08541465       3.18147612       8.65433216    
 O  -0.788978875      -1.24573493       3.55666375    
 H  -0.100485250      -1.80430055       3.20262241    
 H   -1.34574115      -1.81361365       4.11564875    
 O   -5.86193657      -1.99825144       7.12074327    
 H   -6.33296013      -1.40081799       7.71536255    
 H   -6.38898182      -2.12500072       6.31943750    
          69
 Energy    -248.23123995117410     
  O     12.75508316     12.82415926    -14.56329219
  H     13.55553969     12.68393001    -15.08914581
  H     19.35197633      6.73055357    -14.29756695
  O     18.75846802      6.63081388    -11.08563730
  H     13.07229687     13.11568968    -13.70073238
  H     18.13881812     12.74964640    -14.50152603
  O     16.92924869     10.47052584    -12.08646769
  H     18.06173673      7.20709435    -10.74359443
  H     18.94764747     11.45419620    -14.69392873
  O     11.18328249     10.66567761    -15.02903373
  H     18.30593033      5.91985740    -11.55692209
  H     12.25732782      9.41384499    -15.92973390
  O     15.21686546      6.63799121    -12.48615737
  H     16.12438158     10.35039765    -12.61517879
  H     12.49261980      8.74596865    -17.28979809
  O     13.01555468      7.56986317    -10.96031267
  H     16.90154148      9.77412091    -11.41913950
  H     14.83161684     10.76704995    -14.38057024
  O     17.36589542      4.87011926    -12.86610036
  H     10.29394200     10.95249672    -15.21859528
  H     14.85909803      9.23051299    -14.14914490
  O     15.25024609     12.13450833    -15.54083071
  H     11.70807864     11.47137990    -14.86934893
  H     13.75541706      8.50522507     -9.68957152
  O     17.43199302      8.66873959    -15.91078467
  H     15.07681424      6.95198056    -13.39074424
  H     13.95561925      8.89439719     -8.20533294
  O     16.50890993      8.21702293    -10.53874857
  H     15.86316284      5.92418020    -12.55220824
  H     19.87952217      7.29658107    -12.22814420
  O     17.32289191     11.20223240    -17.23131437
  H     12.61443875      8.22683609    -11.54613408
  H     21.33050692      7.48876176    -12.73456859
  O     18.64718473      6.30242043    -14.80068443
  H     13.67790237      7.10546625    -11.48860271
  H     15.80349430     13.33160419    -12.83957951
  O     18.68601151     12.27481787    -15.13771223
  H     17.43090570      3.93584380    -13.04413207
  H     16.84706532     12.20875986    -12.73357355
  O     12.82667382      8.78517242    -16.39632611
  H     17.78215698      5.32949494    -13.61746273
  H     13.82970792     14.33897539    -11.60049488
  O     14.75391202     10.08195769    -13.70449081
  H     15.79579207     12.51009408    -14.83332223
  H     13.88320425     12.79811390    -11.52392674
  O     14.26243370      9.08225238     -9.08840907
  H     15.85033680     11.81666173    -16.22432252
  H     18.27652805     10.01274821    -13.16980528
  O     20.41775690      7.63307429    -12.96757662
  H     17.35234172      9.39866189    -16.53495000
  H     19.52835510      9.14263690    -13.51709989
  O     16.61580198     12.99882267    -13.24352328
  H     17.93085928      9.03264593    -15.16330012
  H     11.69467170      9.96773348    -13.30476903
  O     14.07956886     13.56217481    -12.09495482
  H     15.83637270      8.51405442     -9.91344971
  H     13.17573686      9.87222401    -12.91524228
  O     18.92610764      9.81321499    -13.86016151
  H     16.04541648      7.71451845    -11.22584871
  H     12.84298445     10.87823044    -11.21575615
  O     12.27610518      9.74206739    -12.57251431
  H     17.87844738     11.63071006    -16.55398447
  H     13.78736466     10.74879414    -10.01404114
  O     13.39330659     11.39428755    -10.61017652
  H     17.62409282     11.52450266    -18.07659045
  H     14.23695651      7.97353598    -15.59205700
  O     14.97934555      7.68554722    -15.04075736
  H     18.24787813      6.99239537    -15.34293881
  H     15.80780750      7.96287175    -15.45764289
          69
 Energy    -248.23102732150338     
  O     11.66707017      9.56226424    -10.48891851
  H     11.68105979     10.44933300    -10.87459158
  H     15.05926265      8.31653720    -10.19544169
  O     13.75489654      8.12390503    -11.51092098
  H     12.42731521      9.06278733    -10.82376116
  H     13.21359230     14.09378130     -7.35728589
  O     11.16608155     10.82412242    -14.21212839
  H     13.28695651      7.30831270    -11.72727470
  H     12.49658032     14.81395359     -6.19213857
  O     12.63284372     10.15116304     -7.94361393
  H     13.85746479      8.67221406    -12.30427993
  H     10.15800904     12.83194341     -9.19004529
  O     13.83817740      7.71125468     -7.28636751
  H     10.50636431     10.29732787    -13.72967139
  H     10.55323394     12.84333120    -10.68746272
  O     14.20582236     14.98069271    -10.81225961
  H     10.77616956     11.05366119    -15.05172100
  H     10.44148389      8.58037742     -9.54127618
  O      9.55419650      9.48702055    -12.44106612
  H     12.30103830      9.90753220     -8.81945359
  H      9.30522009      8.69049950     -8.51404866
  O     14.42855883     12.29421786    -11.63941963
  H     13.03649363      9.35486891     -7.57413929
  H      7.89964362     10.44108397     -7.17304959
  O     14.70293647     13.81056743     -8.22827113
  H     13.21990148      7.14976426     -7.78779905
  H      9.26836420     10.95557636     -7.66141045
  O      9.53342315      6.80505047    -11.54897604
  H     14.07832391      7.22515736     -6.50223928
  H     12.13453210      6.07774779     -9.66566946
  O     11.77407628     15.30732130     -9.62234650
  H     13.30793908     15.13134318    -10.46653897
  H     11.18344201      6.81383587     -8.69953374
  O     15.60846896      8.53188672     -9.42841470
  H     14.51173351     15.81740184    -11.15254309
  H     14.14666928     10.96257165     -8.67271443
  O     12.33891966     14.30650125     -6.98405599
  H     10.29827253      9.32778773    -11.84561605
  H     15.40088925     10.32321278     -9.27227488
  O      9.92248164     13.21100029    -10.04761881
  H      8.93882592     10.03073339    -11.92416496
  H     12.66597126     12.18841220    -11.70712005
  O      9.81244823      8.05197263     -9.02725146
  H     14.46143041     13.24669340    -11.47973691
  H     11.49178106     11.77948643    -12.64750559
  O      8.56623853     10.31063846     -7.84373795
  H     14.68297327     11.86851096    -10.80710078
  H      8.62033180     11.90892131    -10.55244678
  O     12.02320436      6.33669811     -8.74436999
  H     14.67720814     14.28400768     -9.06849244
  H      8.14551594     10.69886511     -9.75482661
  O     14.96177305     11.17644199     -9.14502657
  H     14.95568904     12.90480169     -8.45121099
  H     14.19501225     10.84603587    -12.96105195
  O     11.71117842     12.03476226    -11.74299713
  H      9.32867461      7.58707741    -12.07536205
  H     13.03232432     10.30498645    -13.82479720
  O      8.17901068     11.05463563    -10.64941406
  H      9.41648557      7.08450848    -10.63070599
  H     11.16172611      6.14184347    -11.66820660
  O     13.88034641     10.06496565    -13.43445805
  H     11.91655425     15.12559780     -8.68537870
  H     12.13472033      4.99174195    -12.01474223
  O     12.09104786      5.85785219    -11.61762064
  H     11.02843084     14.74793531     -9.87414598
  H     11.16778176     12.87123852     -7.25023792
  O     10.71319206     12.07284516     -7.54736142
  H     15.13902818      8.17238360     -8.66634783
  H     11.39773433     11.38862011     -7.60209926
          69
 Energy    -248.23096542608093     
  O     20.42525023      9.36001167    -13.96724553
  H     20.55913429      8.40301626    -13.88188304
  H     16.65321572      9.81489080    -13.25457838
  O     15.68943546      7.93347238    -10.15348399
  H     19.72723017      9.47171043    -14.62169452
  H     17.58877988      5.87677974    -12.48819133
  O     14.00273005     11.44022755    -12.84971367
  H     15.09256438      7.45321964    -10.74556395
  H     18.61548470      6.67324897    -13.34162782
  O     18.22289787      9.44523276    -15.81333634
  H     16.30503478      8.42752775    -10.71778311
  H     15.02991766      8.69518964    -14.37376278
  O     12.21714534      9.58730876    -13.72559816
  H     13.30611316     10.85264810    -13.19468415
  H     14.85552365      7.24076807    -14.88266275
  O     17.47399590      4.47324603    -11.36363044
  H     13.66168462     12.32951401    -12.90105901
  H     17.00350695      6.87663089     -9.46951635
  O     13.89250107      6.77970951    -11.97545108
  H     17.47693954      9.71470777    -15.25449525
  H     17.72654912      6.19291035     -8.29045143
  O     14.83696965      4.13593869    -11.92352201
  H     18.20557363     10.02023508    -16.57599905
  H     19.46694809      5.31092003    -15.71170301
  O     15.49077909      3.24570262    -14.58343913
  H     12.83429016      8.96084890    -14.13018192
  H     20.53558954      4.20826778    -15.89698096
  O     20.46805492      6.66804707    -13.41949875
  H     11.85511421      9.14087139    -12.95018999
  H     14.41021040      9.39809838    -10.14184042
  O     18.05902891      3.08876971    -13.74652649
  H     17.61300388      4.94727764    -10.53701755
  H     13.92840982     10.52268523    -11.09678596
  O     16.17907044     10.12312420    -14.04294497
  H     16.52150949      4.29694458    -11.44490191
  H     20.25148583      7.89624750    -10.76085585
  O     17.68085715      6.61963802    -13.10147323
  H     13.05057366      7.15735966    -11.69236605
  H     19.43950309      6.72965837    -10.16561945
  O     14.39054930      7.97608083    -14.46039355
  H     14.09263268      7.17015484    -12.83742317
  H     20.59309719     10.48895177    -10.98094835
  O     17.76311228      6.31908317     -9.23579805
  H     14.41653250      5.00600857    -11.95538819
  H     20.28061790      9.69863483    -12.27636587
  O     19.96196400      4.61047587    -15.24973440
  H     14.87841072      3.81083231    -12.83091773
  H     15.76612146      4.99486597    -15.09807048
  O     13.66926848      9.98449441    -10.33937543
  H     15.19994656      2.45006248    -15.02007858
  H     16.59170114      6.15494139    -14.46906420
  O     20.22290671      6.93349699    -10.68839019
  H     16.41823420      3.10067911    -14.31937165
  H     18.47258224      7.54016154    -16.23682703
  O     20.09439136      9.75134038    -11.32027939
  H     20.48992529      6.53127391    -12.45994129
  H     17.55345929      6.31304779    -16.19490421
  O     16.02486407      5.91645738    -15.22075804
  H     20.49660147      5.82561877    -13.88595487
  H     12.31172036      8.96520748    -10.81015561
  O     18.45783803      6.59062152    -16.39904412
  H     18.02675180      3.46688714    -12.85700537
  H     10.94071799      8.27537878    -10.59927698
  O     11.67386230      8.34294715    -11.20444936
  H     18.73737010      3.57087564    -14.23428293
  H     18.33623397      9.36385490    -11.62170197
  O     17.45988417      9.06013455    -11.88721867
  H     15.48319526     10.70965690    -13.72121107
  H     17.55974461      8.18975697    -12.30655523
          69
 Energy    -248.23073172023430     
  O     -2.61321027      0.84294540      0.10434758
  H     -2.48112662     -0.03643911     -0.28534068
  H     -1.49541256     -4.80749483     -0.60282191
  O     -3.37334669     -1.32968386      6.88691719
  H     -3.13863200      1.33808855     -0.52070983
  H     -2.01915767     -5.17752395      1.55382870
  O      1.39122873      0.93714664      2.69534794
  H     -2.43544319     -1.37929426      6.66108116
  H     -0.63789466     -5.84102850      1.36406167
  O     -3.13669065      0.95147117      2.91386766
  H     -3.80760709     -0.84095687      6.17549159
  H      2.29780056     -0.75328733      3.00348338
  O      1.93814485     -2.65471189      5.69566357
  H      0.60893823      0.56545093      3.14013551
  H      2.29578133     -2.23990010      2.57077545
  O     -4.30979732     -3.86937631      6.64574503
  H      1.64913379      1.71020642      3.19177811
  H     -0.09442112     -2.57768458      1.61396402
  O     -0.76969157     -1.94501397      5.92500169
  H     -3.05015189      0.93426117      1.95473691
  H     -1.22531545     -1.89208394      0.79472939
  O      0.76116344     -5.14386115      4.85931776
  H     -2.29890958      0.60927382      3.25819430
  H     -2.17928621     -3.26479454      2.38947433
  O     -4.93765526     -2.91941440      3.98579948
  H      2.70563202     -2.60632599      6.25913395
  H     -3.57224219     -3.58463594      3.03918783
  O      0.28734297      1.08027756      0.08385273
  H      2.19627456     -2.27516823      4.83634707
  H      1.52639677     -3.38692993      0.42554665
  O      1.00804548     -5.98614948      2.31246135
  H     -4.80654235     -4.16245879      7.40424684
  H      1.41112365     -4.30106596      1.68497091
  O     -1.50276854     -4.31188300     -1.44194163
  H     -4.01405383     -2.96029336      6.83528363
  H      0.33972222     -3.73047210     -1.45695632
  O     -1.45965908     -5.62947850      0.90616123
  H      0.17970956     -2.11201241      5.98159193
  H      1.12750342     -2.41177885     -1.60587020
  O      2.57196551     -1.63563691      3.27483081
  H     -1.17583375     -2.79568408      5.70308784
  H     -0.80468212     -0.80404901      4.53286427
  O     -0.94203767     -2.11627036      1.68790066
  H     -0.16554949     -5.02225624      5.10907649
  H     -0.86524464     -0.93753645      2.98543748
  O     -2.74213058     -3.97460979      2.72762930
  H      1.22668334     -4.35741831      5.16599778
  H      0.61568557      0.01723238     -1.24114758
  O      1.50792717     -3.38576185      1.39398600
  H     -4.87519509     -3.33225987      4.85591227
  H      0.92822832     -0.14443829     -2.74757748
  O      1.20868403     -3.33142523     -1.32344400
  H     -4.95502229     -1.96890244      4.15305341
  H     -1.01855244     -1.25524219     -1.40629068
  O     -0.80029420     -0.29660222      3.71144978
  H     -0.66341336      1.15518625      0.22488227
  H     -1.86696615     -2.52580031     -1.15428487
  O      0.62093296     -0.61844161     -1.97967987
  H      0.70308621      1.05016861      0.95417245
  H     -4.25595489      0.27166135      4.04277972
  O     -1.81431057     -1.58019838     -0.96123986
  H      1.55852740     -6.76414286      2.28666942
  H     -5.56187252      0.41697907      4.85434433
  O     -4.81527290     -0.15921224      4.71239801
  H      0.92441150     -5.73270319      3.24954817
  H     -2.16823976     -4.34951767      4.38784759
  O     -1.89356625     -4.43794713      5.31311832
  H     -1.87463417     -4.89558315     -2.09753713
  H     -2.69892514     -4.41685744      5.84323870
          69
 Energy    -248.23071589370477     
  O     17.46373486      9.80642720    -10.73713132
  H     17.59866532     10.62018732    -10.23414723
  H     19.04759175      6.01398544    -13.28807126
  O     14.15558126      5.33146842     -7.88229249
  H     18.30992628      9.35046918    -10.83816222
  H     15.75163511      5.51457838    -10.52227332
  O     17.68634294     12.02458736     -9.07338023
  H     14.95222414      5.17354924     -8.40638396
  H     16.38921244      6.35341938     -9.39581523
  O     12.56181074      6.11993908    -10.13637102
  H     13.47020685      5.53148481     -8.52992084
  H     20.12160589      8.22266968    -14.16649154
  O     15.26199019      8.76812397    -12.08548278
  H     17.54784424     12.95049369     -9.25216725
  H     19.57389187      8.05766006    -12.73204455
  O     19.70313034      8.17105358    -10.94729228
  H     17.08337728     11.78452344     -8.34413270
  H     17.94869251      9.10775589     -5.67108448
  O     21.20074244      8.81328412     -8.68660044
  H     13.22917094      5.99218767    -10.83262811
  H     18.37039231      9.93178331     -4.43079771
  O     18.99333093      5.59261532    -10.17118828
  H     11.71977068      5.87942143    -10.51421342
  H     17.52089143      7.95900885    -14.16274558
  O     16.20810000     11.26746883     -6.97256156
  H     15.60078914      8.56626271    -12.97063365
  H     16.40982858      6.92231764    -14.38531634
  O     13.74892970      8.65606677     -9.65996247
  H     16.00009865      9.19742367    -11.63008157
  H     15.46349743      8.26422469     -8.95938329
  O     14.07875939      9.48683007     -6.96617906
  H     20.31297363      8.44530720    -10.25080995
  H     16.85828507      8.67495114     -9.48123221
  O     18.71783117      5.17153439    -12.95160982
  H     19.40330366      7.28024392    -10.71028878
  H     19.32007600     10.57837390     -6.76619388
  O     16.28530138      5.44437081     -9.72058503
  H     20.72722609      9.56268054     -8.28257908
  H     19.15268246     11.30308510     -8.11809173
  O     19.39432399      7.86058204    -13.66605403
  H     22.12681541      8.93596591     -8.49639250
  H     14.23667312      6.59309096     -4.98366612
  O     18.22189882      9.99152297     -5.37066114
  H     18.05318978      5.40113697    -10.04348249
  H     14.49091491      6.31168062     -6.48035182
  O     16.57562076      7.87131294    -14.33762862
  H     19.34627432      5.76788245     -9.28634773
  H     15.08732422      5.60806118    -12.66251225
  O     16.40560101      8.06507080     -8.88575839
  H     15.42651606     10.69663719     -6.96188923
  H     14.87103397      6.97883642    -11.95833154
  O     19.78262042     10.80564540     -7.58306517
  H     16.81107504     10.91598458     -6.30818977
  H     20.26163345      7.30277292     -7.89387641
  O     14.71545930      6.90954082     -5.74529064
  H     14.11702735      8.85150983    -10.53192645
  H     19.00385111      6.80911881     -7.13927720
  O     14.64497492      6.03739210    -11.91938611
  H     13.22791105      7.84932939     -9.75892798
  H     17.11187865      7.84274775     -7.28708558
  O     19.74389036      6.51619358     -7.68419648
  H     13.78167030      9.29113891     -7.86397259
  H     16.57079990      7.26350771     -5.98036934
  O     17.37950455      7.59787531     -6.38651368
  H     14.24461460      8.63840453     -6.53889511
  H     16.17015090      4.31291899    -14.61782977
  O     16.21668110      5.01741506    -13.97749225
  H     18.91179496      5.16873462    -12.00514109
  H     17.11173503      4.98910950    -13.59343715
          69
 Ord_Energy   -248.230453    
 O   -6.59507418       5.94992733       4.06968880    
 H   -7.45473194       6.33651209       4.20786333    
 H   -5.95091200       6.68384695       4.07991982    
 O   -2.67168450       5.04876661       3.30124187    
 H   -2.88406157       5.15254879       4.23809862    
 H   -1.90375924       5.60585308       3.12216830    
 O   -4.90581894       6.45896006     -0.328314513    
 H   -5.03570938       5.90376806      0.460688561    
 H   -5.77265501       6.64893770     -0.678133249    
 O   -4.57036495       1.45634770       4.06825924    
 H   -4.87637615       2.25301814       4.53840637    
 H   -4.88738537      0.707857370       4.56615162    
 O   -2.93928337       8.05725670       6.18165112    
 H   -1.99835479       7.89829779       5.98647070    
 H   -2.97017717       8.73277664       6.85350800    
 O   -5.32854843       3.72374654       5.35078859    
 H   -5.87078190       4.41769266       4.95806694    
 H   -4.57586479       4.18464947       5.74700022    
 O    1.03559005       3.47318673       8.24386775E-02
 H   0.254717022       2.92200947      0.280187130    
 H    1.52291894       3.02277470     -0.601715147    
 O   -3.54217386       2.12897778     -0.772194207    
 H   -3.89366269       1.50266290      -1.39932311    
 H   -4.14768791       2.12955809      -9.55209043E-03
 O   -4.74871540       7.88929081       3.98296094    
 H   -4.11220312       8.04575539       4.68852425    
 H   -4.28452253       8.02204895       3.14315701    
 O   -5.08772659       4.97962236       1.94443607    
 H   -4.21050358       5.04465771       2.35192871    
 H   -5.72248602       5.27456951       2.60920882    
 O  -0.443915576       5.81458092     -0.750163734    
 H   -1.29275489       5.46391249      -1.06304932    
 H    9.04743299E-02   5.05249786     -0.509428322    
 O    1.64493978       4.58407974       2.51769710    
 H    2.58279419       4.75759840       2.55392599    
 H    1.46866846       4.17856693       1.65319324    
 O   -1.11498797       2.01379442      0.673666954    
 H   -1.41405797       2.04609489       1.59212494    
 H   -1.91162038       2.01561666      0.129706800    
 O   -2.88612175       4.82520962      -1.49096322    
 H   -3.59548068       5.39565229      -1.17035627    
 H   -3.13875389       3.92094946      -1.27073753    
 O  -0.329124928       6.54898882       2.98379517    
 H   0.370799392       5.91275454       2.79213405    
 H  -0.417635113       7.13185024       2.21813297    
 O   -3.49119258       8.15933800       1.51299369    
 H   -3.95393848       7.68375683      0.813026309    
 H   -2.56623721       8.18044376       1.24319875    
 O  -0.742863417       8.04567146      0.691362679    
 H  -0.635007799       7.25995827      0.122720927    
 H  -0.328595459       8.77433300      0.238260433    
 O  -0.391183972       7.31874514       5.65531063    
 H  -0.281614453       6.46618414       6.09425974    
 H  -0.318744242       7.13640690       4.70734692    
 O   -3.12020993       5.24063587       6.09640312    
 H   -2.23943281       4.97694683       6.39334965    
 H   -3.18147039       6.19664621       6.21959448    
 O  -0.442935586       4.67050219       6.74919939    
 H  -0.148406610       4.11407423       6.00585032    
 H   -5.20687886E-02   4.30328655       7.53718662    
 O   -2.01326561       2.36944199       3.29673958    
 H   -2.81728339       1.92579949       3.59010506    
 H   -2.23668838       3.31061006       3.22725081    
 O   0.300055385       3.17311931       4.63267183    
 H   0.810147047       3.58746696       3.92788792    
 H  -0.464397401       2.75996637       4.20710278    
 O   -5.16092730       2.25460887       1.38617945    
 H   -5.00784731       1.85868812       2.25140977    
 H   -5.21927738       3.20712686       1.54725933    
          69
 Energy    -248.23033866094113     
  O     -3.44111593     -3.76034675     -0.69120023
  H     -3.29818473     -2.94144790     -0.20498633
  H     -6.24591913     -6.73491494      0.88599880
  O     -5.83150215     -0.69911451     -0.97277780
  H     -3.21588022     -4.51396748     -0.12463580
  H     -6.80886127     -3.99375686     -0.98378548
  O     -3.55772756     -1.19619349      0.55223660
  H     -5.98690538     -1.65660767     -0.90793265
  H     -5.33138663     -3.72038539     -0.52505886
  O     -4.14838695     -4.02596432     -3.29104338
  H     -6.63791065     -0.29556216     -0.62908208
  H     -5.75039024     -2.38566832      2.58371300
  O    -10.26689118     -4.58020580     -0.41722038
  H     -2.94272826     -0.46747196      0.58631579
  H     -4.32142335     -2.05975925      2.11379743
  O     -5.57528744     -1.93066265     -6.23774222
  H     -4.31820132     -0.89566337      0.02814078
  H     -5.74653244     -1.16000101     -2.90301124
  O     -9.70332208     -1.95057053     -1.40638493
  H     -3.73349299     -3.96018351     -2.41959584
  H     -5.70363614     -1.61573403     -4.43819046
  O     -5.80378785     -6.26644945     -2.94834773
  H     -4.78253232     -3.29547105     -3.34975896
  H     -3.75652977     -6.59101683      0.36908661
  O     -8.43298468     -2.84293681     -3.77727728
  H    -11.10676816     -5.01930228     -0.32016888
  H     -3.52797738     -5.79690439      1.67648118
  O     -8.87550410     -4.67926669      1.85498577
  H     -9.81820863     -4.63376991      0.44732340
  H     -2.90264661     -4.40836729     -6.26546294
  O     -6.23831849     -5.65401520     -5.74965659
  H     -4.89553645     -2.61335049     -6.30447059
  H     -3.78057754     -4.15925601     -5.01662953
  O     -6.67720633     -6.32954828      1.64537781
  H     -6.40849029     -2.38306752     -6.42182005
  H     -5.19112499     -8.44975099     -0.64896842
  O     -6.23940559     -3.39698327     -0.48481580
  H     -9.37983339     -2.15704312     -2.29251919
  H     -5.35847906     -7.12628037     -1.41879342
  O     -4.81693731     -2.55574333      2.77426625
  H     -9.97966626     -2.79280562     -1.02449810
  H     -8.19914421     -4.27312957     -2.70513198
  O     -5.87033673     -1.88531241     -3.52268521
  H     -5.19122371     -5.52521265     -3.05988120
  H     -8.79779834     -4.98667458     -1.46939454
  O     -3.14193118     -5.99199374      0.81200548
  H     -6.64597204     -5.89374526     -2.64226165
  H     -8.88510538     -0.76799628     -0.43944162
  O     -3.79125669     -4.20020927     -5.98902317
  H     -8.45555631     -3.09418264     -4.70815410
  H     -8.95228089      0.58976792      0.29736165
  O     -5.16295744     -7.50096827     -0.54578597
  H     -7.55331696     -2.46253916     -3.63114151
  H     -7.00560061     -2.76376957      1.01996396
  O     -8.01769625     -4.94967226     -2.03631477
  H     -8.15148823     -5.32216676      1.80485461
  H     -7.78614392     -1.48456817      1.37863510
  O     -8.37585372     -0.14654137      0.11308812
  H     -8.46347354     -3.82125470      2.01429158
  H     -8.44349302     -3.87091503     -7.19286487
  O     -7.40139417     -2.27942825      1.76356693
  H     -6.16462726     -6.04134689     -4.86995860
  H     -7.38575963     -4.40757889     -6.20024479
  O     -7.93115339     -3.63237288     -6.42495689
  H     -5.37173731     -5.27486277     -5.94647292
  H     -4.59722584     -4.26424161      3.04982938
  O     -4.51170661     -5.22787323      3.15573293
  H     -5.96678367     -5.98479157      2.20108029
  H     -4.37277711     -5.38878792      4.08523387
          69
 Energy    -248.23025906066286     
  O      6.22882618     -3.67717975     -1.47925273
  H      5.26302276     -3.69801439     -1.50566048
  H      4.05295292     -2.18633000      3.45015887
  O      4.27950099     -4.86626389      2.14433399
  H      6.47259994     -4.15205416     -0.67445258
  H      4.25143923     -0.62613496     -0.14284050
  O      3.45704912     -3.44054176     -1.17089627
  H      3.51484307     -5.05479959      1.58870201
  H      4.36366680     -1.23967906      1.28588431
  O      7.27976007     -1.18603882     -1.36849270
  H      3.97595136     -4.22694716      2.80155395
  H      4.58380142      1.41663799      3.71971941
  O      4.80947655      2.35250451      0.73603754
  H      2.87910401     -4.07314579     -0.73159788
  H      6.00570136      1.98142751      3.98468697
  O      3.30791785     -1.19898140     -2.87617488
  H      3.62940203     -2.74258750     -0.51956403
  H      7.23282148     -5.56505209      1.35528434
  O      2.44382911      2.03197984     -1.72939041
  H      6.90247024     -2.07721406     -1.48856125
  H      5.88690545     -4.81600388      1.47282039
  O      5.38814174     -1.21657611      2.76448941
  H      8.05038812     -1.13863910     -1.92894330
  H      1.79459401     -2.83264238      2.63695999
  O      1.14769034     -0.83585724      0.35289680
  H      5.14947853      2.02298413      1.57814922
  H      0.96711229     -2.23028180      1.45268209
  O      0.76910779     -0.00969556     -2.30892080
  H      5.04581466      1.71675422      0.05292452
  H      2.31654691      1.12205371      3.57222821
  O      1.01292426      1.17204801      2.25468881
  H      3.30930488     -2.06819769     -2.45321248
  H      2.74713329      0.36027687      4.84319281
  O      3.29485553     -2.72807245      3.71700545
  H      2.39714432     -0.88494843     -2.82759664
  H      0.07570630     -1.66423370      3.32553148
  O      3.83485916     -1.23580539      0.47908903
  H      2.29653866      2.51248857     -0.90483111
  H      0.14027588     -0.12246862      3.40346780
  O      5.48055313      1.50858641      3.34509763
  H      3.35493899      1.72367751     -1.69923881
  H      1.24920475     -5.76009394      0.50243613
  O      6.77549580     -4.77612748      1.07689646
  H      6.21546694     -1.51600265      2.35808247
  H      1.45250352     -4.35555452      1.11305895
  O      0.98640575     -2.94049305      2.11265713
  H      5.50049599     -0.29275094      3.01751711
  H      1.19183057     -1.09011692      5.15407426
  O      3.00207134      1.07749144      4.25229192
  H      0.90734871     -0.63045025     -0.55746934
  H      1.70883681     -1.28876815      6.59946474
  O     -0.04227087     -0.91609270      3.92355689
  H      2.11298313     -0.93624036      0.38283977
  H      4.43516304     -0.09941966     -2.06098306
  O      1.87355902     -5.04221530      0.56884618
  H      0.05413054      0.24381838     -2.88598005
  H      5.85658352     -0.00871500     -1.45034524
  O      1.99598063     -1.18132568      5.69697390
  H      1.30382020      0.79020824     -2.15075495
  H      7.55393595     -1.70544987      0.49332790
  O      4.98939448      0.41981026     -1.45259425
  H      1.01918024      0.48664622      1.57057180
  H      7.39457022     -3.01406256      1.29945622
  O      7.56470011     -2.06627131      1.38734723
  H      1.32217999      1.97475585      1.81722905
  H      3.20156595      2.98941418      0.84826957
  O      2.26896948      3.27296011      0.82681313
  H      2.91892299     -2.30651692      4.49857654
  H      2.26524160      4.21692287      0.96348048
          69
 Energy    -248.23019810846728     
  O     -6.78022746      2.02248784      0.59615628
  H     -7.25332703      1.39900968      0.02944473
  H     -0.87944315      1.04790323      1.89447067
  O     -4.30160099      2.65413536     -3.29203798
  H     -6.51461949      2.76198252      0.02321983
  H     -1.75995937      2.82808444      0.96847694
  O     -3.84585314     -0.87733545      2.04175661
  H     -4.59160172      2.83885976     -4.18241335
  H     -2.78572402      3.91581478      0.47882740
  O     -1.29940951     -0.48748522     -1.56376506
  H     -4.66149872      1.78216013     -3.05641113
  H      0.76266234     -0.71114425      1.12612891
  O     -5.22044782      0.26690891     -2.29099874
  H     -4.09099419     -1.72514043      1.64733479
  H      1.81699080      0.40608613      1.01111008
  O     -4.54613719     -3.11381543      0.50110781
  H     -3.94212036     -0.21212818      1.33843724
  H      2.48841367      2.93164582      1.09003499
  O     -3.62500995     -2.02338492     -1.79369217
  H     -0.37658912     -0.66866639     -1.78283425
  H      1.51469441      2.35364213      0.03622091
  O     -1.68417039      2.20392864     -2.24796999
  H     -1.47913546      0.42189437     -1.83979786
  H     -7.62085455     -0.73574424     -0.64475118
  O     -1.13621281     -0.61958528      1.22923836
  H     -6.15418025      0.17327959     -2.06398996
  H     -8.68667073     -0.04136240     -1.52877955
  O      1.48686083     -0.70631711     -1.87308812
  H     -4.76117342      0.46450694     -1.45791603
  H     -3.44845466      0.70327788      3.21816160
  O     -6.67235835     -0.20748495      2.53097233
  H     -4.19865170     -2.77820017     -0.34516939
  H     -2.39832726      1.82641283      3.22080942
  O     -0.76141479      1.96311633      2.19178799
  H     -4.33937848     -4.04385694      0.53659308
  H     -6.35370529     -2.47634012      0.40904854
  O     -2.31067413      3.11449807      0.22734295
  H     -2.76583976     -1.58055031     -1.76338939
  H     -7.12908269     -1.46201610      1.26933242
  O      1.66609255     -0.53072408      0.83300713
  H     -4.23740046     -1.37304212     -2.15804471
  H     -5.05875551      1.42830914      0.34795595
  O      1.74313372      2.34671141      0.98293034
  H     -2.47809195      2.39128066     -2.76001947
  H     -3.55025205      1.76803175      0.18615388
  O     -7.80314865      0.05597712     -1.18454598
  H     -1.84225918      2.59610579     -1.37384127
  H     -4.44024299      4.66850394      1.57346548
  O     -3.31136428      1.62495171      3.46148438
  H     -1.98405346     -0.87667592      1.60730042
  H     -3.97616248      6.10418407      1.21599637
  O     -7.17696064     -1.97736368      0.45006095
  H     -1.25645110     -0.57676984      0.26909818
  H     -5.10610082      4.47806334     -0.51580403
  O     -4.19385338      1.04988204      0.13856908
  H      2.12406199     -1.29325322     -2.27009188
  H     -5.17939438      3.60238800     -1.79295036
  O     -4.00767498      5.21071117      0.88679222
  H      1.64155354     -0.72659816     -0.91131520
  H     -5.88528817      3.01449180      2.15525381
  O     -5.69155881      3.91723110     -1.03977589
  H     -6.76522769      0.62949248      2.06290492
  H     -4.57164081      2.84216034      2.96738510
  O     -5.17849418      3.49827397      2.59135072
  H     -5.72552425     -0.38476031      2.57622238
  H      0.20203129      2.27041636     -1.98850605
  O      1.09919560      2.12953732     -1.66096560
  H      0.13343702      2.20986824      1.92648851
  H      1.31807560      1.21518305     -1.88042904
          69
 Energy    -248.22991293812498     
  O     -1.86811770      4.57972278     -2.85684917
  H     -2.07405945      5.09626881     -3.63156494
  H      0.96813828      3.02634136     -2.30072830
  O     -1.19259855      2.77609606      0.37899086
  H     -2.25495191      5.04931682     -2.09616713
  H     -2.31741472      1.33800792     -2.21838231
  O      0.98236505      1.23356784     -2.23744484
  H     -1.73188300      2.54797616     -0.38759501
  H     -2.46313572      2.89569122     -2.36292945
  O     -0.23757702     -0.65807849      2.23196517
  H     -0.41944030      2.19894505      0.37127338
  H     -2.71479503     -0.95656683      0.41653211
  O     -0.12231345      3.63880193      3.88473901
  H      1.13197451      1.10768313     -1.28917757
  H     -1.21893072     -1.16588132      0.68404885
  O      2.14262888      4.94733652     -0.01192943
  H      0.21426477      0.69120934     -2.44761698
  H     -4.76392191      3.57309215      0.76966688
  O     -2.84708510      5.77733750     -0.61955288
  H      0.43085922     -0.77436224      2.91882169
  H     -5.53785410      4.76558072      1.38027450
  O      3.53969742      1.24685898      3.52599017
  H     -0.98653255     -0.21394256      2.65269983
  H     -3.34975967      3.70823858      2.35545580
  O     -0.40795094      1.14931973      5.27273127
  H     -1.00396868      3.48386180      3.51777601
  H     -2.11561911      2.95591156      1.82793023
  O     -0.47292758      5.45769817      0.81377913
  H     -0.04519509      4.60130827      3.94913408
  H     -1.60643629     -0.96474336     -3.14784339
  O     -2.44307862      0.59117428      3.52561975
  H      2.87501478      5.49023735     -0.28999331
  H     -1.58210151     -0.63228151     -1.63742567
  O      0.90435789      3.98770898     -2.19297612
  H      1.74191605      4.58052865     -0.82295360
  H     -4.78016347     -0.96638627      1.91170013
  O     -2.74990567      2.12327283     -1.85859389
  H     -2.03731320      5.86490167     -0.09774031
  H     -3.57705076     -0.09563300      2.33182188
  O     -1.88222642     -1.17946748     -0.01694749
  H     -3.50063261      5.37795058     -0.03316602
  H     -4.14983867      1.99662281     -0.69064735
  O     -4.65985932      4.44960886      1.18465142
  H      4.47048834      1.35438524      3.34807572
  H     -4.59186813      1.19176215      0.55568564
  O     -2.59971784      3.17680761      2.64152489
  H      3.09378743      1.98035645      3.07285994
  H      1.29854557      3.34966058      2.75389477
  O     -1.45409424     -0.25700719     -2.52761957
  H     -0.19671838      2.03207392      4.94002227
  H      2.12232961      3.81226582      1.49929715
  O     -4.11825492     -0.36841278      1.57199130
  H      0.34928657      0.59155629      5.06055990
  H      0.65043789      0.45465895      1.11248293
  O     -4.76536883      1.99758877      0.05633380
  H     -0.75008433      4.53933989      0.67689078
  H      1.50088676      1.75889776      1.11393647
  O      2.05451877      3.13867928      2.18689486
  H      0.44140334      5.49278318      0.50620691
  H      2.09117888     -1.26055411      4.84111736
  O      1.04658876      1.12678025      0.54218132
  H     -1.84108489      0.67074103      4.28012090
  H      2.38165815      0.02863881      4.03824683
  O      1.68001889     -0.59226748      4.29880025
  H     -2.61545423      1.50115878      3.24004141
  H     -0.64422751      7.15010241      3.60752698
  O     -0.15208561      6.35075266      3.43826918
  H      0.00425709      4.22848005     -2.43426813
  H     -0.33387155      6.11411060      2.51419262
          69
 Energy    -248.22963482245564     
  O     10.73173983     11.14341460     -9.87470656
  H     11.10058991     10.39056689    -10.34966026
  H     13.91559937     13.65237830    -14.72210304
  O     13.00085944      9.03102106    -17.47654540
  H     10.59286460     11.83885303    -10.52857127
  H     17.47093738      7.22124258    -11.77710676
  O     14.06957962      8.89377488    -14.88383509
  H     12.08448810      8.96833508    -17.15187358
  H     15.97038015      7.56411471    -11.83036052
  O     14.32937110     13.64230014     -8.73870422
  H     13.07088151      8.44016671    -18.22192886
  H     14.30045684      7.77591420    -13.41927099
  O     12.53836872     11.87488758    -17.62966145
  H     14.66611180      9.64170567    -14.73574611
  H     13.64206888      7.76228913    -12.02727182
  O     11.56244716      9.36996414    -13.75191665
  H     13.83564680      8.88571536    -15.82009668
  H     13.56350604     13.80071099    -10.39557503
  O     13.81543379      8.82033346     -8.63817355
  H     14.34584990     14.23615735     -7.99331309
  H     12.32266583     13.66900367    -11.35207020
  O     14.03070901     11.07244925    -11.86570279
  H     13.82571612     12.85503270     -8.46061067
  H     12.72032210      8.82462401    -10.20133142
  O     12.85684015     11.47840506     -8.12434167
  H     13.00976094     12.31021032    -16.90484400
  H     12.93725494      9.78323359    -11.39533042
  O     17.09040555     12.98581097    -12.82897354
  H     12.84459805     10.96056040    -17.65108252
  H     10.54690118     12.07606057    -15.01671132
  O     10.54960095     13.27677018    -11.77677731
  H     11.62395997      9.11316349    -12.82517129
  H     11.20678995     11.12416787    -13.98111452
  O     13.50510214     12.93939413    -15.23506361
  H     12.43744285      9.21214509    -14.13802249
  H     16.54680047     11.69995595     -9.98627134
  O     16.81172005      7.79809803    -11.40228409
  H     14.09720170      8.09601318     -8.08556617
  H     15.93084343     13.06696204     -9.64962534
  O     14.35758599      7.37479725    -12.54090367
  H     14.61594093      9.18411851     -9.05474485
  H     16.11785589     11.74769764    -13.85638553
  O     13.28618190     13.70886601    -11.31667164
  H     13.79379517     11.98588735    -11.66032891
  H     14.81246203     11.82106003    -14.70292917
  O     12.38642802      9.04479165    -11.08016839
  H     14.49351228     11.07648310    -12.71235450
  H      9.37928107     12.33752705    -17.34812807
  O     11.01650508     12.05434189    -14.17278140
  H     13.19526416     10.57690035     -8.12023395
  H     10.86212407     11.92724493    -17.16575712
  O     16.63465723     12.64758393    -10.15782790
  H     12.04014204     11.44301810     -8.64382695
  H     16.31194433      9.23655514    -10.51016067
  O     15.43429804     11.21073780    -14.27680385
  H     16.94045269     12.88900687    -11.87226822
  H     15.26262676     10.37735006    -10.70247971
  O      9.97400685     11.87278098    -16.76642821
  H     18.00664742     13.22883763    -12.93491865
  H     14.25337370     14.42083822    -12.70609356
  O     15.85935286      9.96574430    -10.05934729
  H     10.66613526     12.88055970    -12.65711683
  H     15.64767134     14.19593189    -13.30831471
  O     14.79060917     14.59856771    -13.49161798
  H      9.79676516     13.86002666    -11.83190593
  H     10.15516161      9.96329905    -16.53367348
  O     10.50841692      9.08048008    -16.36719056
  H     12.67687234     12.70501457    -14.79722970
  H     10.68718025      9.04227475    -15.41813678
          69
 Energy    -248.22958429552187     
  O     12.36799023     10.71408592    -13.79432966
  H     13.25523232     11.07851688    -13.72117792
  H     18.87583498      8.57918543    -15.54493402
  O     16.16684927      6.50669964    -13.09909842
  H     12.41269282     10.03663612    -14.48655698
  H     16.67437162     10.01042514    -17.19642529
  O     17.66181077     10.76096175    -11.89638527
  H     15.61399660      6.56123838    -12.30655618
  H     16.15918649     11.39112523    -16.77447010
  O     16.59428587     12.56184509    -15.25071559
  H     17.00289331      6.94527382    -12.89164123
  H     14.45402174      8.64186083    -14.88418232
  O     12.20482711      6.02526445    -14.75873724
  H     17.45472949     10.71935708    -10.95526435
  H     15.53419228      7.93658594    -13.98859000
  O     14.55381406      6.99444461    -10.91129968
  H     16.83076153     10.95387524    -12.35140450
  H     10.79815648     10.01461552    -11.11836798
  O     15.23271171     11.13430240    -13.28580883
  H     16.73783635     13.47531154    -15.48511476
  H     11.79359340     10.05350831    -12.30508281
  O     15.88234221      6.47315528    -17.70976096
  H     17.46321520     12.19474800    -15.00748436
  H     18.32398102      7.75422571    -10.63295384
  O     16.08163602      6.08009496     -8.84206094
  H     12.13968502      6.30452617    -13.82732340
  H     17.66811473      8.59760420     -9.51808837
  O     17.34299640      8.41872400    -16.35369720
  H     11.46299636      5.45001891    -14.92554676
  H     11.79932798      7.78918086    -11.96711955
  O     14.92513906      5.44325852    -15.39682280
  H     15.00045307      6.63622064    -10.13019375
  H     12.92410648      6.77591271    -11.71867886
  O     19.66098325      8.73229352    -14.98947653
  H     14.56525393      7.95686028    -10.84797729
  H     18.66493162     11.29657323    -13.40540312
  O     16.07021628     10.71768209    -17.45676934
  H     15.58731618     11.76445689    -13.92726991
  H     19.25617542     10.57702033    -14.62756248
  O     15.32461143      8.74381209    -14.47605753
  H     15.28129514     10.25888670    -13.71033832
  H     18.11939248      9.01548437    -12.31253339
  O     11.61286814      9.63939143    -11.44092013
  H     15.99658539      5.77401796    -18.34731340
  H     18.95419164      8.19539182    -13.30937856
  O     18.07858344      7.74317474     -9.69975190
  H     15.53077007      6.06025337    -16.89985999
  H     16.47333750     10.63484604     -8.49872188
  O     12.10278677      6.90817064    -12.21240743
  H     16.40605787      5.29468881     -8.41012754
  H     15.76235900     10.09128175     -9.75950737
  O     18.88979915     11.42044726    -14.33737469
  H     16.86702181      6.59427765     -9.09635514
  H     14.70698409      9.52395104    -17.87599456
  O     18.39913924      8.11380653    -12.52463817
  H     16.65428549      8.60167865    -15.69632891
  H     14.67298006      7.98266437    -17.99559657
  O     16.63072016     10.22086330     -9.34371346
  H     16.99035800      7.71392388    -16.91188008
  H     14.60948272     10.33358869    -11.66681794
  O     14.11057764      8.76409121    -17.94612855
  H     13.99187925      5.56203999    -15.18178340
  H     13.38399639      9.79715032    -10.89830672
  O     14.34825500      9.85931127    -10.86694562
  H     15.41912629      5.65360966    -14.59340654
  H     13.12881134      8.69894799    -16.49607225
  O     12.78071657      8.65010373    -15.59140022
  H     20.41487989      8.41665982    -15.48049894
  H     12.49002556      7.74668709    -15.42029887
          69
 Energy    -248.22949036777669     
  O     -8.06511345     -2.01011806      6.20586523
  H     -8.76104845     -1.36003833      6.36215160
  H     -7.14891994      0.69997944      4.39607004
  O     -9.71204244     -2.50790150      2.08998395
  H     -7.22507161     -1.59998911      6.44081779
  H     -4.96900764     -0.97548977      5.85643928
  O     -8.18225591     -3.77996976      4.16571804
  H     -9.30195158     -3.06623422      2.76153168
  H     -4.88490775     -1.14249369      7.39354633
  O     -5.56685572      0.65303065      0.19398584
  H    -10.07286876     -1.75513317      2.57764282
  H     -0.99415254      2.82532372      1.34212404
  O     -6.53017196      1.59368728      5.90595219
  H     -8.18541229     -3.17749741      4.93155651
  H     -2.29221224      3.49271973      1.86274358
  O     -5.25734213      5.19953885      0.68042805
  H     -8.19976379     -4.66756723      4.51257907
  H     -9.72906173      5.00222294      3.99154101
  O    -10.21953863     -0.14266725      6.48987535
  H     -5.85952759     -0.23851561     -0.00905066
  H     -8.57310631      4.15528319      3.42138657
  O     -4.26115419     -1.12274777      4.29242970
  H     -6.37262894      1.11368718      0.47631754
  H    -10.57999545      1.30485376      2.61125107
  O     -4.12442548      3.01451194     -0.46498462
  H     -5.88577436      2.11369309      5.40575539
  H    -10.28271079      2.81328291      2.71008228
  O    -10.22903377     -0.21910607      3.66503590
  H     -6.07981435      0.83388576      6.29620263
  H     -6.89882552     -2.83292155      3.24299111
  O     -3.85898099      0.97567221      2.44611497
  H     -4.88470803      4.43663943      0.20243201
  H     -6.72628302     -1.97653568      1.95725742
  O     -7.46884721      0.28674824      3.58623451
  H     -5.31974320      5.91426646      0.05232823
  H     -8.48387303     -1.85169525      0.94449757
  O     -5.45812779     -0.84948361      6.69041313
  H     -9.89191249      0.77180569      6.41029848
  H     -8.00834468     -0.44622992      0.56320487
  O     -1.94249118      2.73298224      1.36335093
  H    -10.87329990     -0.14076711      7.18360967
  H     -9.32622972      2.93749027      5.41950427
  O     -9.41670962      4.10471552      3.89812826
  H     -3.97911303     -0.39598220      3.72380126
  H     -8.22913515      2.15438107      6.17126764
  O    -10.46502849      2.10579471      2.08017107
  H     -4.87313921     -1.64238854      3.75100909
  H     -3.76671308      4.23279850      3.34538265
  O     -6.32649549     -2.18353814      2.81294529
  H     -3.29174929      2.88347647      0.00630863
  H     -3.88015019      5.06422683      2.05746622
  O     -7.74286177     -1.37010361      0.53985899
  H     -4.59089358      2.17072464     -0.41901145
  H     -4.63978646      2.23660316      3.52102154
  O     -9.18222170      2.32593876      6.14974969
  H     -9.27262573     -0.06373125      3.64787857
  H     -5.75839550      3.31703737      3.53735940
  O     -3.24295364      4.72024835      2.69542470
  H    -10.45336702     -0.26795086      4.60111997
  H     -8.88038215      1.77579093      1.32125641
  O     -5.01725344      2.95837642      4.04527011
  H     -4.43108438      0.78402391      1.69178017
  H     -7.70705422      1.10904225      2.08286403
  O     -7.93949618      1.55617071      1.25020304
  H     -3.09688201      1.45766001      2.10035473
  H     -7.36542077      3.17734076      1.90742582
  O     -7.07511831      3.95924552      2.39725065
  H     -7.01318865     -0.55536153      3.46400349
  H     -6.52345333      4.48028869      1.79900081
          69
 Energy    -248.22932706780858     
  O     14.31761358     11.80295197    -14.25122208
  H     15.03230731     11.44701942    -13.70241457
  H     13.28294878      6.27511668    -15.83725935
  O     15.51016098      6.15813595    -13.75208493
  H     13.87344700     11.04011693    -14.65598836
  H     20.53907967      6.59014621    -15.21513339
  O     18.32127004      8.95145682    -11.68817944
  H     14.76727890      6.30258129    -13.15418352
  H     19.79133384      7.84356680    -14.69293447
  O     18.42538361     10.81308493    -16.29814627
  H     15.66551750      7.01875419    -14.17549448
  H     15.28219610     11.14636491    -17.24335914
  O     12.01394588      7.21034817    -14.64169037
  H     18.18053265      8.87036678    -10.73700483
  H     15.34798833     11.88291027    -15.88673678
  O     14.87729563      8.39458664     -9.09449911
  H     18.20870644      8.06131357    -12.05315632
  H     15.02688455      8.87591376    -15.25289116
  O     13.28601503      6.95023354    -12.19394395
  H     18.98793120     11.43948178    -16.74733583
  H     16.48992420      8.45549144    -15.63723184
  O     16.17589394     10.28827288    -12.80650294
  H     17.51542532     11.14272146    -16.39880751
  H     13.04670789     11.98587754    -12.90700868
  O     15.34879518      7.58140238    -18.10104286
  H     12.40243934      7.07306731    -13.76158547
  H     12.20468364     12.69118909    -11.83284913
  O     14.40520747      5.67831537     -9.95718782
  H     11.08804136      6.99256866    -14.56558255
  H     17.53940235      5.85301632    -11.02393050
  O     17.83106745      8.11937024    -16.85185651
  H     14.47641133      8.89800949     -9.81632215
  H     17.39089437      6.61328999     -9.69324563
  O     14.09430996      5.92728829    -16.22379895
  H     14.61559372      7.47829246     -9.24308195
  H     19.31263118      9.48441096    -13.22713674
  O     19.66977777      6.93683563    -15.03151207
  H     13.53783991      6.42898997    -11.42095564
  H     19.22735691     10.04227315    -14.68107082
  O     15.86730404     11.65160836    -16.66655159
  H     13.44272076      7.87799724    -11.95954328
  H     18.64440623      6.39674583    -13.51856093
  O     15.88153357      8.59411730    -14.90201053
  H     16.11712845      9.70058733    -13.57696298
  H     17.16710701      6.18097389    -13.10194716
  O     12.46746953     11.82882769    -12.14511698
  H     16.94059334      9.97425802    -12.30918248
  H     16.61856036      8.48584958     -9.00436768
  O     17.11584173      5.81275143    -10.15658792
  H     16.27087368      7.64706514    -17.82403510
  H     17.90280674      8.67201792     -8.16171824
  O     19.73753840      9.47118635    -14.09455450
  H     14.92241909      6.93865241    -17.51533471
  H     13.69354922     10.10122964    -19.02404067
  O     18.05708462      6.34950211    -12.75598013
  H     14.16994206      4.91653118     -9.43411302
  H     14.54126035      9.08077895    -18.22387187
  O     17.59016158      8.41784870     -9.02564825
  H     15.37329587      5.65395773    -10.06320463
  H     13.27257047     10.29140196    -11.56749858
  O     14.07674544      9.93684555    -18.16733341
  H     18.44846183      7.59038923    -16.33110554
  H     14.70581512      9.78466185    -11.86668489
  O     13.87175033      9.54451577    -11.43889581
  H     18.13084409      9.03735319    -16.79310858
  H     12.77078414      8.78685054    -15.30111398
  O     13.31877502      9.54880181    -15.52343015
  H     14.66493215      5.75882937    -15.46361013
  H     13.37604002      9.63500843    -16.48494453
          69
 Energy    -248.22929230028745     
  O     -6.77927917      3.06213111     -1.34108655
  H     -6.48721815      2.20652534     -1.67810734
  H     -6.05345053      1.16905456      4.75236147
  O     -3.60639696      2.06122277     -3.67143833
  H     -6.98177411      2.91443731     -0.41154639
  H      0.00594990      1.86426713      2.32232035
  O     -6.78212947      2.11752639      1.42574363
  H     -3.89872233      2.90138134     -3.27043023
  H     -1.23672602      0.95065493      2.35066556
  O     -4.38879120     -0.86456011      2.39863274
  H     -3.61492493      2.18928381     -4.61624378
  H     -1.62755962      2.63825503      1.03413557
  O     -1.70240251     -1.12765659     -0.89030190
  H     -6.55198222      1.85187034      2.32612824
  H     -2.95834236      2.33572761      0.31337615
  O     -5.36335793      0.58138915     -2.02092287
  H     -7.12780822      1.32229350      0.98659668
  H      1.39181844     -0.36931857      1.88937319
  O     -5.98963993     -2.51043440      0.81073900
  H     -4.98982169     -1.48847146      1.97158435
  H      0.11356622     -1.21151815      2.03940240
  O     -4.34343957     -1.98599027     -1.26295220
  H     -4.90486182     -0.29175021      2.98014072
  H      2.52949378      1.97034583      1.64270736
  O     -1.42673366      1.43176612     -1.97690824
  H     -1.64415562     -0.25244395     -1.29913151
  H      1.54057596      1.39111292      0.60422785
  O     -1.69881756     -0.74495796      1.89085673
  H     -0.82559984     -1.52601503     -0.96086587
  H     -3.83954150      3.32476172      3.12874968
  O      0.99891871     -1.91813626     -0.79786951
  H     -4.92668871      0.77185544     -1.17369447
  H     -2.57366282      2.45772093      3.40087762
  O     -5.69802557      1.14257427      3.86826853
  H     -4.81652673      0.99161178     -2.70279005
  H     -7.04989055     -0.99507426      0.33011587
  O     -0.94143413      1.86088509      2.50710381
  H     -5.38304290     -2.41768776      0.05251681
  H     -6.92622038     -0.02950196     -0.85285017
  O     -2.15223748      2.87296825      0.25780236
  H     -6.27510399     -3.41963751      0.82901288
  H     -4.19438873      0.44366960      1.04133073
  O      1.05876119     -1.27385791      1.84169725
  H     -4.71149012     -1.22175285     -1.72164641
  H     -5.09819748      1.65942095      0.76615361
  O      1.69020425      1.52609361      1.55711328
  H     -3.40177168     -1.79777115     -1.14930969
  H     -2.76242268      4.50386199     -0.00666643
  O     -3.47323160      2.62991669      3.69709890
  H     -1.62415578      2.00975318     -1.22469072
  H     -2.64777026      6.04862091     -0.01444750
  O     -7.38273814     -0.15647450     -0.01380272
  H     -2.08567939      1.62694800     -2.65306324
  H     -5.38876828      3.98945236     -2.07292272
  O     -4.30647208      1.20129697      0.45440409
  H     -2.59270626     -0.90522430      2.22056190
  H     -4.09017723      4.74781762     -1.73380829
  O     -3.25919504      5.32884203     -0.14875221
  H     -1.73110599     -0.86442359      0.93116315
  H     -4.47207852      4.77185435      1.24229545
  O     -4.53356771      4.26092111     -2.43752093
  H      1.54025845     -2.66839971     -1.02643007
  H     -5.65891172      3.89103252      1.70315190
  O     -4.87142927      4.34782447      2.01143178
  H      1.08859018     -1.78552487      0.16327620
  H      0.39213173      1.18691918     -1.50588311
  O      1.21321656      0.93422924     -1.06511888
  H     -4.87376292      1.66583567      3.87957679
  H      1.24781069     -0.02944934     -1.11055595
          69
 Energy    -248.22925527046402     
  O     16.62576387      3.67847768     -9.48452764
  H     16.59871199      4.45614796     -8.91763741
  H     11.96738702      6.15304603    -14.36323699
  O     18.25157899      8.71583847    -12.38388989
  H     15.69902294      3.52048603     -9.72154561
  H     15.83584366      5.67489957    -12.37646780
  O     13.50625819      7.95168638    -12.18529670
  H     18.00678743      8.29455450    -11.54993106
  H     14.94254493      5.21838049    -11.19359946
  O     11.87230505      6.82908900    -16.10893382
  H     17.86013875      9.59692792    -12.35344551
  H     17.31464508      3.21549895    -11.04714989
  O     16.57763948     11.07260918    -12.44002957
  H     14.16203628      7.28237012    -11.92784284
  H     18.33717486      2.38366101    -11.85146388
  O     17.00332940      7.55407093    -10.08410581
  H     13.24342679      8.41946104    -11.38434811
  H     13.99148295      9.56691679     -9.76495537
  O     14.09984890      5.19333346    -16.96610914
  H     12.49063853      7.57781084    -16.18794130
  H     12.53352743      9.91981395     -9.37492587
  O     15.96952908      6.04155950     -7.94613645
  H     11.11749799      7.03872323    -16.65286846
  H     12.82973352      6.04467672     -9.45156591
  O     13.77245223      8.74924071    -16.36511973
  H     16.70513464     11.91662079    -12.86500636
  H     13.25437612      7.47078619     -9.06366401
  O     16.09521157      7.28031462    -17.11894651
  H     16.01256733     10.54367633    -13.02885979
  H     15.78178414      8.66084960    -14.17244345
  O     17.14745829      7.47715827    -14.57395071
  H     16.87964487      7.14502174     -9.21968529
  H     14.49419002      8.89457803    -13.33038811
  O     12.21412375      5.89900795    -13.46511584
  H     16.44752787      7.02360035    -10.67442511
  H     15.94867785     10.49280009    -10.75304846
  O     15.31268011      5.99516480    -11.63130592
  H     13.29530769      5.70231877    -16.80581743
  H     16.15719919      9.19008311     -9.95411571
  O     17.56042068      2.92908117    -11.94440753
  H     14.80648858      5.84029827    -17.08199026
  H     11.80471247      5.30984317    -11.78338556
  O     13.07979154      9.22198064     -9.72471881
  H     15.94001009      6.05210142     -6.99287308
  H     10.80719730      4.82073250    -10.71415031
  O     13.40286264      6.53887177     -8.85696007
  H     15.05493941      6.17520110     -8.25041966
  H     17.14518840      4.21824874    -13.19012348
  O     15.10423780      9.31656248    -13.95314438
  H     14.52947306      8.32639573    -16.79028768
  H     15.89615929      4.55753080    -14.07014742
  O     15.63172095     10.00169490     -9.98594684
  H     14.12482508      9.11743871    -15.54453685
  H     13.20654374      3.94240545    -10.64338478
  O     11.72169205      5.05827588    -10.84947405
  H     16.54342143      7.36820925    -16.26146760
  H     14.24912350      2.98335231    -11.31040656
  O     16.74200538      4.90012153    -13.74347041
  H     16.77089527      7.36140608    -17.78768521
  H     15.81298966      2.16293972    -12.53676729
  O     14.11424471      3.62541867    -10.59633233
  H     17.66937581      7.90297593    -13.87762562
  H     14.61459536      2.59634480    -13.41630135
  O     14.86949661      2.02204300    -12.68000937
  H     17.07529340      6.54204659    -14.33249835
  H     13.55238845      4.63766586    -14.03592387
  O     14.21035497      4.08286919    -14.47179083
  H     12.62302664      6.68423349    -13.06882930
  H     14.19577614      4.32596239    -15.40935576
          69
 Energy    -248.22918371405419     
  O     14.07517634      9.89581293    -17.18113799
  H     13.43882308     10.28838570    -17.77342852
  H     15.68952680      3.38934659    -13.53582793
  O     15.93793498      6.67761468    -12.16141662
  H     13.71960241     10.00590300    -16.28004144
  H     17.54544616      9.19604897    -17.66252663
  O     18.99553861      9.93932367    -13.39987703
  H     16.08104994      7.21904789    -12.95257909
  H     18.86318302      8.40677204    -17.82525393
  O     20.51539292      8.49372327    -16.96512723
  H     15.80854540      5.78003997    -12.48990811
  H     17.19156789      7.76843070    -14.77731148
  O     13.33455858      5.76748990    -14.63790161
  H     18.11532369     10.26917925    -13.63534998
  H     15.70020107      7.67519813    -15.24944174
  O     16.04288026     11.47437210     -9.99673460
  H     19.00554139      9.95231319    -12.43325278
  H     13.45991485     10.51324196    -13.91082855
  O     13.76122161      8.28022803    -11.41137807
  H     21.43144016      8.49327864    -17.22669523
  H     12.61731990      9.28274412    -14.29602771
  O     16.43506058     10.65364418    -14.12566927
  H     20.30940496      9.39505892    -16.65433473
  H     17.84120540      6.70247704     -9.56989594
  O     17.60600780      5.08688636    -15.38791481
  H     13.69895308      6.20355855    -15.42207358
  H     16.90786533      7.12066395    -10.72907350
  O     15.15790170      9.06477478     -9.08549590
  H     14.04339907      5.21698758    -14.28808075
  H     10.99098812      7.49295069    -13.43655327
  O     19.01360503      7.48680267    -14.76748351
  H     15.70906619     10.66302770     -9.57308148
  H     12.39118380      6.98264632    -13.85568022
  O     15.63996501      4.33360194    -13.65766457
  H     16.04477667     12.15306324     -9.32663889
  H     18.74584239     10.99860868    -16.36283301
  O     17.92683834      8.40264484    -18.05968663
  H     14.47196908      7.66784271    -11.64679305
  H     19.52456707     10.67241151    -15.06257723
  O     16.27825491      7.98469430    -14.54259741
  H     13.02434925      8.07823353    -12.00091190
  H     17.72235497     10.57623252    -10.50571890
  O     13.06411080     10.05619605    -14.66174862
  H     15.78116780     10.89763325    -13.46138397
  H     18.15865345      9.10635291    -10.40379653
  O     17.35359297      7.44042003     -9.92710498
  H     16.29956448      9.70466555    -14.28697417
  H     17.20163358      6.86913332    -18.05480366
  O     11.91523868      7.72662713    -13.44416623
  H     17.34892237      5.31442014    -16.29003106
  H     16.85069970      5.56496086    -18.81570119
  O     19.63046163     10.85487932    -16.00722477
  H     18.21613885      5.77843009    -15.10104144
  H     14.92575668     11.26994488    -11.50706681
  O     18.45000118      9.97570871    -10.70472665
  H     15.91165952      8.47107187     -9.19579687
  H     14.18995422      9.99599759    -11.95679071
  O     16.75524379      6.00499732    -17.97565857
  H     14.50872247      8.78116110     -9.74356491
  H     16.70839565     10.82623571    -15.88305365
  O     14.42419561     10.89164653    -12.24044446
  H     19.55968930      7.69830335    -15.53465821
  H     15.90492331     10.53228228    -17.14067520
  O     16.80507349     10.70644786    -16.84030036
  H     19.08910293      8.24955041    -14.17518595
  H     14.42371336      8.06947654    -16.98065997
  O     14.60592403      7.18065777    -16.65001807
  H     16.34950186      4.57184078    -14.28121901
  H     15.26372786      6.76264685    -17.22091676
          69
 Ord_Energy   -248.229126    
 O  -0.890749872       1.51456761       1.82611918    
 H   -1.78371215       1.88720369       1.79515338    
 H  -0.433128208       1.89195478       1.06446970    
 O    3.69630861       3.29140925      0.750884771    
 H    2.90592265       3.84388185      0.704617500    
 H    3.46815109       2.46181369      0.312173396    
 O    2.63494992      0.944113374     -0.390847653    
 H    2.22449327      0.467754751      0.354571581    
 H    2.98645711      0.283261657     -0.981036365    
 O    3.47502255       4.68633890       4.73298883    
 H    4.05730581       5.38781786       4.40471554    
 H    3.06695032       4.98386860       5.55453873    
 O    4.02819490       2.30838752       3.43869424    
 H    3.91913223       3.09802079       3.98841095    
 H    3.95916510       2.61265707       2.52710962    
 O    2.85176039       8.44538021       2.98464942    
 H    2.87404108       9.39661503       3.05237818    
 H    2.23542809       8.13593102       3.67155290    
 O   -2.18378162       3.38838291      -1.29257464    
 H   -1.30547142       3.00434685      -1.13155746    
 H   -2.45236993       3.10607314      -2.16309071    
 O    1.18731225       4.40810442       3.17794514    
 H    1.99528563       4.61194324       3.66771460    
 H   0.863805413       3.56575513       3.52508545    
 O   -2.97129989       5.68773174       2.22082996    
 H   -3.70823216       6.28825760       2.13884807    
 H   -2.41635323       5.81480122       1.43069637    
 O    1.31468582       4.91781521      0.547637820    
 H    1.85153723       5.71804333      0.439508766    
 H    1.20627117       4.75611496       1.49967980    
 O    2.42237973      0.309580237       4.22902107    
 H    2.85282373     -0.225399077       4.88968086    
 H    3.05731773       1.00035548       3.96270895    
 O    1.17832160       7.56247377       4.92878866    
 H    1.49740684       7.01719999       5.65692091    
 H   0.334341943       7.16984987       4.66752148    
 O    1.92189229       5.57314634       6.88499498    
 H    2.01161003       5.66186237       7.82974052    
 H    1.13823199       5.01608324       6.72809792    
 O   0.214914307       2.06919098       4.31058884    
 H   0.937425196       1.43464851       4.39680099    
 H  -0.275067925       1.83015382       3.51057720    
 O  -0.282502949       4.11714506       6.23489046    
 H  -0.176815331       3.31286645       5.71075201    
 H  -0.715158820       4.75229263       5.64765358    
 O    1.34830809     -0.215818807       1.67235768    
 H    1.74772561     -0.158369124       2.54989982    
 H   0.469828278      0.177000418       1.75581217    
 O    2.98926377       7.02806759      0.532581091    
 H    2.88774562       7.56158066       1.33224189    
 H    3.87625527       6.65046263      0.571285188    
 O    4.97122097       6.62477016       3.53179908    
 H    4.33054161       7.32667685       3.35763097    
 H    5.21786261       6.26355124       2.67167735    
 O   0.334238321       2.58495522     -0.531198919    
 H   0.680272877       3.43882513     -0.229860663    
 H    1.09033513       1.99742293     -0.642666638    
 O   -1.39440012       5.79594231       1.05025098E-02
 H   -1.70660925       5.07510185     -0.551898241    
 H  -0.453847468       5.63818407      0.149612382    
 O   -3.20156741       2.92828703       1.38636100    
 H   -3.03506899       3.06629062      0.445630699    
 H   -3.20352197       3.80809069       1.78244913    
 O    5.38894176       5.49398994      0.917737365    
 H    6.21073055       5.38209581      0.445818156    
 H    4.91099548       4.65253448      0.845369935    
 O  -0.946299911       5.91711330       4.16337347    
 H   -1.69516301       5.85520983       3.55983758    
 H  -0.217213333       5.42064095       3.76098609    
          69
 Energy    -248.22906797665743     
  O     19.97023860     10.81237642    -10.35093022
  H     19.54371209     10.75354849     -9.48696991
  H     19.01229190     11.12180723    -11.89729112
  O     18.64721279      6.63785876     -9.51111818
  H     20.91858723     10.94267143    -10.21876384
  H     22.79711523      9.95643430     -9.70099233
  O     20.69886995      5.32530690    -13.24331102
  H     19.18744843      7.13389153    -10.14976251
  H     23.42583638     11.36539452     -9.83255678
  O     22.71268617      8.47786270     -8.84774545
  H     17.91282573      7.22782692     -9.29081410
  H     19.45620396      7.86143049    -12.91634077
  O     16.92968729      5.23778520    -11.32592943
  H     20.16369139      6.06826398    -13.56698867
  H     19.67587013      8.42110273    -14.32736621
  O     22.60402566      7.16724697    -12.21421431
  H     20.56329414      4.60627890    -13.85571348
  H     20.60278594      4.93309980    -11.31008529
  O     20.27975271      8.09606606     -7.58924453
  H     22.99576558      7.59267153     -9.09898661
  H     19.97454304      5.28497228     -9.94458596
  O     14.17714910      7.79677552     -9.17165169
  H     21.89609761      8.36170021     -8.33951326
  H     13.69809234      7.75589826    -12.48239334
  O     23.22850506      5.84658443     -9.82142190
  H     17.48740950      5.60324111    -10.62997511
  H     14.78132237      6.92574932    -13.20276511
  O     20.07690513      8.16534616    -11.25772142
  H     16.03899546      5.16386281    -10.95888403
  H     16.53597280      8.59328691    -12.40361498
  O     18.52660089     10.32826532     -7.97544479
  H     22.09811457      6.48535303    -12.67420430
  H     17.12385403     10.03152095    -12.21270642
  O     18.48266658     11.04586935    -12.70352577
  H     22.99024397      6.74391020    -11.43676862
  H     16.78732020      6.35770389    -12.68489096
  O     22.75277646     10.79646472    -10.19535299
  H     19.73400300      8.89163214     -7.57262742
  H     17.53185025      7.23058304    -13.73139549
  O     19.33743486      7.65036382    -13.85669584
  H     19.76692657      7.44870162     -8.08571732
  H     22.71954760      8.92113171    -12.76413075
  O     20.74224134      4.87256286    -10.35693672
  H     13.86997763      8.37470094     -9.88205623
  H     22.68157993     10.28239184    -12.04811294
  O     13.89395469      6.87343433    -12.82139824
  H     14.13931493      6.90093079     -9.53066954
  H     15.86898335      8.34548163     -9.02839309
  O     16.46833683      9.40265317    -11.87846840
  H     22.34949616      5.44023946     -9.92564627
  H     16.74780271      8.95158217    -10.14824976
  O     16.66273405      7.05115199    -13.35369052
  H     23.80756040      5.16863682     -9.48435137
  H     14.70289500      9.53367305    -11.65950518
  O     22.56060442      9.86471382    -12.90840276
  H     20.99742066      7.93006864    -11.42570696
  H     13.33685938     10.25363585    -11.72390132
  O     16.76217311      8.66239162     -9.22415999
  H     20.05071494      9.08646826    -10.96882417
  H     20.72601992     10.58988373    -15.38282328
  O     13.74748127      9.41811528    -11.51750958
  H     18.10140774     10.87990090     -7.32394181
  H     21.22542775     10.07218443    -14.01422470
  O     20.45023892     10.11643982    -14.60266517
  H     17.83337767      9.76539446     -8.36265359
  H     14.00441441      5.80845560    -11.42467939
  O     14.17565127      5.32059030    -10.59877443
  H     19.09896052     10.80320017    -13.40357171
  H     13.55566714      4.59644715    -10.57407041
          69
 Energy    -248.22901773487561     
  O     18.02195996      8.50779818    -10.10345597
  H     17.17631867      8.97580849    -10.08937056
  H     18.65296572      9.14583500     -8.55743925
  O     14.16531175      7.78646809     -9.09589735
  H     17.84117185      7.56127096    -10.16449768
  H     19.85420887     10.34264506    -11.93667884
  O     20.20302082      3.67688635    -13.21813898
  H     13.39888247      7.71357640     -8.53340952
  H     19.00450330      9.15477630    -11.39234038
  O     21.43512901      7.52607353    -11.82714807
  H     14.86886460      7.25609668     -8.68008164
  H     21.00838720      5.27557264    -13.96011786
  O     19.03045233      6.96792604    -15.70531723
  H     20.38596285      2.77075557    -13.45058068
  H     21.41693334      6.68160651    -13.47894629
  O     22.56390656      8.03412700     -9.28481190
  H     19.36844287      3.91740858    -13.65967688
  H     18.26529937      5.29852873    -15.05250384
  O     16.19835224      6.33848447     -8.06405039
  H     21.93334307      7.76006713    -11.03498747
  H     17.29453950      4.94160920    -13.91899007
  O     20.81223902      6.22686323     -8.29018644
  H     20.80625326      8.24368143    -11.98991505
  H     15.04532964      9.26452169     -9.69765906
  O     18.58883295      7.05900572     -6.62923648
  H     19.84508197      6.74148765    -15.22048648
  H     15.48123078      9.98334352    -11.01465046
  O     17.54363186      5.78007973    -10.39646444
  H     19.28221050      7.10188470    -16.61513651
  H     16.09294791      9.32952736    -13.26244570
  O     16.85801840     11.49956816     -8.06957087
  H     21.96075945      7.39893002     -8.85788432
  H     14.95467161     10.34225696    -13.50504003
  O     18.81468871      9.56569116     -7.69725372
  H     23.44239909      7.82681190     -8.97692371
  H     20.45512823     10.24850916     -8.32886375
  O     19.49533374      9.47415573    -12.16638859
  H     16.61778849      5.97394895     -8.85789439
  H     21.74152105      9.70480338     -8.98148265
  O     21.18994079      6.17170360    -14.26830762
  H     16.92655525      6.56887498     -7.47685162
  H     14.01112628      7.37979696    -10.97257345
  O     17.97945593      4.56813656    -14.49093356
  H     20.02605735      6.39203602     -7.75852574
  H     14.30912169      8.15801053    -12.27042481
  O     15.62901441      9.94616435    -10.06127304
  H     20.54174390      5.70775882     -9.05873354
  H     18.00607922      8.02643564    -14.57521122
  O     15.30551116      9.73219006    -12.86049878
  H     18.72961295      7.02085147     -5.68604245
  H     18.27337280      8.86888096    -13.30151234
  O     21.22327027     10.50865323     -8.85278771
  H     18.67970680      7.99243044     -6.88665798
  H     21.17134532     12.50221170    -11.33411037
  O     14.04358185      7.29356146    -11.93322138
  H     18.45396438      5.49262552    -10.54630699
  H     20.82237079     11.39722258    -10.32176638
  O     17.56986814      8.47402556    -13.83925034
  H     17.09811360      5.79642225    -11.25439350
  H     15.45563103      6.37928500    -12.57811863
  O     20.56003213     11.78879838    -11.17342697
  H     16.36472753     11.04681760     -8.77093833
  H     16.79055012      6.91196389    -13.16593067
  O     16.34514626      6.11353165    -12.85158615
  H     17.02099927     12.38237992     -8.39570238
  H     20.59841658      6.01453369    -11.20550506
  O     20.19199451      5.20471939    -10.86369526
  H     18.17745077     10.29086418     -7.64350358
  H     20.22724469      4.56084137    -11.58178422
          69
 Energy    -248.22896965272577     
  O     12.42630517      9.49985675    -16.35702593
  H     11.52038312      9.28707955    -16.06704652
  H     13.14516623     13.60050882    -12.67192575
  O     10.87610130      8.09742790    -10.14696102
  H     12.49483935      9.21798719    -17.26575376
  H     16.36590209      8.62825325    -10.94456746
  O     13.51587755      8.57639472    -13.91249235
  H     11.63447867      7.58584340     -9.83857949
  H     16.78048894      9.70303777     -9.90919505
  O     14.23681853     12.50703417     -7.02389081
  H     10.96075757      8.97987310     -9.77219027
  H     14.37414955      7.86083810    -12.36050927
  O     11.59836264     12.23669786    -15.75903049
  H     13.31104912      8.76547635    -14.83644239
  H     14.21547466      7.26159394    -10.91174068
  O     11.05434528      8.88548354    -12.75011305
  H     12.66570408      8.64236836    -13.44745114
  H     14.36599096     15.38509695    -11.34390080
  O     14.18958073      8.51707373     -7.78130763
  H     14.36780653     13.13598703     -6.31970503
  H     14.89067716     13.94499749    -11.13490232
  O     13.83620403     10.37563134    -10.77932266
  H     13.70333447     12.95155833     -7.70806593
  H     13.61186696      7.25906480     -8.80147407
  O     12.27301382     10.39177648     -7.13119681
  H     12.07392600     12.60287850    -15.00145236
  H     13.20627810      5.78282356     -9.04240773
  O     16.25584108     12.91298622    -10.77185859
  H     12.02355136     11.39941007    -15.97919065
  H     17.37150995     10.36341741    -11.96893874
  O     11.37260230     11.03251772     -9.77736421
  H     10.89249048      9.83127900    -12.63463413
  H     18.25182113     11.02371216    -13.05965556
  O     12.79206027     12.95503114    -13.29473429
  H     10.92077594      8.47503559    -11.88468796
  H      9.86725493     11.70317302    -13.08526281
  O     17.08426019      9.22475767    -10.68997368
  H     14.89899360      9.13253502     -7.98203694
  H     11.29562628     12.11743351    -12.65704065
  O     14.75611318      7.83254037    -11.47381225
  H     13.45687895      9.06993577     -7.46805932
  H     15.30147526     11.42255787     -8.08283423
  O     14.08997263     14.47259977    -11.30482222
  H     14.05627076      9.44335877    -10.91021345
  H     14.97839907     10.74218232     -9.44147682
  O     13.23762813      6.64105176     -9.45652918
  H     14.11588938     10.81654235    -11.59063698
  H     14.39010174     10.15393870    -13.61022774
  O     17.39703040     11.06890896    -12.64077118
  H     12.86908880     11.12412986     -6.93099363
  H     15.65585649     11.01668511    -13.25714381
  O     10.51375204     11.62117060    -12.37343235
  H     11.79456371     10.65484139     -7.92688670
  H      9.94280870     11.98903916    -15.23052013
  O     15.68106384     10.87556101     -8.78365646
  H     16.72611961     12.41087775    -11.44828710
  H      8.42663980     12.30500696    -15.21374443
  O     14.69808973     11.03900452    -13.37074076
  H     16.19158393     12.32747533    -10.00888132
  H     13.10293774     13.85724172     -9.82059333
  O      9.09237336     11.74846351    -14.81913586
  H     10.86229493     11.27002881    -10.56269291
  H     12.12891998     12.76404493     -9.31302444
  O     12.70846064     13.47915104     -9.02549402
  H     12.25061099     10.77207784    -10.10313903
  H     10.21766637      8.80059112    -14.41277459
  O      9.95194612      9.04907002    -15.30991100
  H     13.49487996     12.29704792    -13.41717360
  H      9.47969646      9.88477031    -15.21236076
          69
 Energy    -248.22894678239243     
  O     11.73498842     14.11568595    -11.30806895
  H     11.17606084     13.47682108    -10.84912149
  H     16.38289249      8.93930925    -12.29029808
  O     12.86153233     10.46451249    -17.75634071
  H     11.67724979     13.89602824    -12.24576171
  H     13.90654568      6.27524616    -13.82134827
  O     11.37128501     10.57059707    -12.18027713
  H     13.56126371     11.06671550    -18.00579528
  H     13.75636466      7.74612420    -14.26518025
  O     13.62373680      8.94488329    -15.53922433
  H     12.16347539     11.01678482    -17.37698395
  H     15.62154432     13.69080895    -12.58862808
  O     14.31741259     12.19921915     -9.08945029
  H     10.85551038     11.00604984    -11.48951180
  H     15.50583638     14.39703693    -11.23277033
  O     12.80917206      8.16254167     -8.74513955
  H     12.30991477     10.66215702    -11.94508042
  H     12.61438195      7.59090957    -12.08406309
  O     13.99690269     10.87967702    -11.53928154
  H     14.38649308      9.49309452    -15.29072894
  H     11.67884997      8.73239589    -11.64223209
  O     11.98225892     10.86841215     -8.42690918
  H     13.34913021      9.27440649    -16.40423212
  H     18.64597143      9.70431210    -13.27020597
  O     17.61978604     11.78286874    -11.18058225
  H     15.20929016     11.95340074     -8.81274728
  H     17.73420681     10.60527166    -12.40188619
  O     10.21690995     11.99833349    -10.09609296
  H     14.31080632     13.13457388     -9.32962536
  H     11.51584285     12.09883382    -13.38383699
  O     14.44404148     12.66574238    -13.61011269
  H     12.46731457      7.42008704     -8.25316310
  H     11.34038593     12.71116240    -14.78598703
  O     15.61830394      8.59632112    -11.80818802
  H     12.55444664      8.02102167     -9.67369014
  H     17.38017988     11.02622297     -7.75643494
  O     13.84929231      7.16779883    -13.48895573
  H     14.56324576     10.09993277    -11.59071207
  H     16.40935226     10.21052905     -8.64672302
  O     16.14711503     14.02676555    -11.84952972
  H     14.14164846     11.30698028    -10.68528194
  H     15.32080733     11.38859085    -14.58353351
  O     12.06433450      7.89741989    -11.35340263
  H     12.80701358     11.36296741     -8.53874024
  H     16.46091912     10.36528191    -14.38772472
  O     17.73389240      9.89452286    -13.07080168
  H     12.22333434      9.93544086     -8.46358642
  H      9.87694964     11.89050635    -16.74845525
  O     11.64782125     12.90918853    -13.89361164
  H     17.17075780     12.61521197    -11.39044572
  H     10.72431628     10.98237286    -15.82278143
  O     16.80570167     11.09176379     -8.51402671
  H     17.41814812     11.57939331    -10.26143548
  H     15.68441209      8.57755649     -9.98556605
  O     15.70006158     10.57387337    -14.94147435
  H     10.81077767     11.59843393     -9.43345549
  H     14.66946292      8.54414848     -8.82988840
  O     10.74426745     11.79500778    -16.36279947
  H      9.35818658     12.07517284     -9.69015451
  H     13.93564659     15.66817817     -9.66620231
  O     15.59017478      8.74249192     -9.03661118
  H     13.54074941     12.89719679    -13.85324664
  H     13.21647633     14.60608982    -10.52989658
  O     14.04336135     14.80424806    -10.05474973
  H     14.36212623     12.05323077    -12.86167098
  H     10.99949336      9.85516320    -13.83929159
  O     10.98351893      9.62304093    -14.77632717
  H     15.10356279      8.04373993    -12.40799167
  H     11.88033648      9.33169122    -14.99058308
          69
 Energy    -248.22893725709110     
  O     13.66360315     11.36240131    -15.70045657
  H     13.85851332     12.00066372    -15.00354963
  H     17.27813546      3.11631313    -10.38614102
  O     18.23704414     10.20552082    -13.43054106
  H     13.24058934     10.61277472    -15.26082917
  H     13.19620295      9.52306054    -10.85869554
  O     12.70435106      5.21683116    -12.63108840
  H     19.00394237      9.70900399    -13.13331901
  H     12.20191145      8.36312016    -11.06344680
  O     16.54525073      8.37802686     -8.94763447
  H     17.59499323     10.11916240    -12.70808084
  H     15.53343309     12.82105379    -13.91053463
  O     17.00903759     12.37921596    -14.73673412
  H     13.29164644      5.16582570    -11.86331670
  H     14.58129285     13.89600154    -13.33304132
  O     15.70256167      7.16312466    -12.38429722
  H     13.21796401      4.90269017    -13.38304696
  H     13.48211932      8.49905096    -14.55430899
  O     14.14187293     10.57836034    -12.14055021
  H     15.69670730      7.99868727     -8.69409070
  H     12.21035139      8.63496232    -13.68029007
  O     17.96959044      6.58695636    -13.88999793
  H     17.15985040      7.63601238     -9.05541698
  H     15.94023482     11.19858848    -17.91096651
  O     19.22299671      7.99049831    -11.79236847
  H     16.78450233     11.97159879    -15.58213024
  H     15.12580754     11.04569510    -16.60395482
  O     16.88445493      4.03949416    -13.40327670
  H     17.57418023     11.74369510    -14.27851467
  H     10.37123796      7.31872072    -12.48604747
  O     14.44245361      4.61424022    -14.84237662
  H     15.30350821      6.57227127    -11.73523832
  H     11.77371025      6.66928692    -12.57138156
  O     16.97988964      3.97224488    -10.68303911
  H     15.95156788      7.98118640    -11.93860047
  H     13.47095032      7.23210129     -7.75173871
  O     12.75385691      8.79782897    -10.40168308
  H     13.73460113     10.06532569    -12.85306180
  H     13.50021037      7.81881697     -9.18516468
  O     14.65265326     12.96386726    -13.51974342
  H     14.27379127     11.46853805    -12.49035778
  H     15.35630501      4.83612708    -10.44274507
  O     12.85778994      9.14085446    -14.18670392
  H     17.83450793      7.15694093    -14.65516635
  H     14.40235125      5.89852342     -9.77812240
  O     16.00397848     10.91184542    -17.00393458
  H     17.18600261      6.71344883    -13.32913218
  H     17.90967866      5.51801174    -10.00528882
  O     11.30292501      7.52005726    -12.50838139
  H     18.93342593      7.44509623    -12.53894253
  H     18.81047354      6.73488976    -10.31903865
  O     13.96483253      7.22498564     -8.56706694
  H     18.44048851      8.47003613    -11.49894746
  H     15.56721996      7.81847634    -15.30976968
  O     14.56276224      5.37144374    -10.57151418
  H     16.04861414      4.12285731    -13.87707237
  H     15.01048758      7.26955234    -13.98101606
  O     18.27374545      6.32743592     -9.62895374
  H     17.42869504      4.78135207    -13.69925770
  H     16.56230666      9.29060131    -10.40409789
  O     14.81662727      7.34223745    -14.93147346
  H     14.19844692      4.21230686    -15.67293476
  H     15.72466614     10.00392905    -11.53429355
  O     16.57687223      9.59365086    -11.32701090
  H     14.55870373      5.56347758    -15.01495281
  H     16.79648369      9.42499369    -16.21564682
  O     17.12310287      8.75461428    -15.60132853
  H     16.96731769      3.94234794    -11.65596086
  H     17.50012779      9.24792450    -14.85947301
          69
 Energy    -248.22893025974565     
  O      4.70668378     -7.66805245      4.21282607
  H      5.53125038     -7.16928678      4.27734432
  H      3.35648558     -9.00916669      4.11403651
  O      0.06237924     -3.15704550      3.37928258
  H      4.01516842     -6.98832925      4.21224804
  H     -0.00683327     -4.82378297      0.65650418
  O      2.92058150     -3.03551396      3.16180370
  H      0.03854141     -3.34229446      2.42176929
  H      1.08051797     -3.73110095      0.46082024
  O      4.71961469     -8.85184178     -0.48137376
  H     -0.60426159     -2.49713805      3.55001150
  H      6.46194323     -5.08622809      3.64247564
  O     -0.16296630     -6.74874857      0.92827650
  H      1.99241458     -2.91356148      3.39517934
  H      7.49002675     -5.54335413      4.70058423
  O      5.64744874     -9.26409745      2.12099491
  H      2.93570010     -3.11212760      2.19587246
  H      3.85192584     -3.30524571      0.09257405
  O      2.85739382     -5.72810376      3.90911278
  H      5.19930772     -8.06500155     -0.75938485
  H      3.09729120     -4.52071565      0.63557499
  O      1.29699858    -10.18641339      1.49300709
  H      5.01753454     -9.01028384      0.42858088
  H      7.50469933     -6.78775396      2.48342646
  O      3.49768296     -6.14758512      1.21228593
  H      0.58236543     -7.11333315      0.43155570
  H      7.12842026     -8.11118980      1.79956833
  O      0.02114788     -8.70467125      4.36024183
  H     -0.70312221     -7.50816599      1.18199438
  H      0.05033155     -6.20862839      2.69092763
  O      4.43277404    -11.72149206      2.85004851
  H      5.28648764     -8.66677877      2.79149450
  H     -0.01296833     -5.03103575      3.69726128
  O      2.71254293     -9.69655552      3.90081011
  H      5.41188586    -10.15510565      2.40265639
  H      5.80279537     -3.55831160      1.92225912
  O      0.17921768     -3.88423818      0.77393245
  H      1.90419179     -5.88567588      3.89242655
  H      4.84962471     -3.32622290      3.11085537
  O      6.87980993     -5.86864496      4.04344713
  H      2.98189602     -4.78004851      3.77339461
  H     -2.14372821     -9.53209566      2.12778061
  O      2.98416660     -3.58422047      0.40486115
  H      0.35827741     -9.99747643      1.60991298
  H     -0.90789080     -9.03260924      2.91855310
  O      7.62472420     -7.29208168      1.66905028
  H      1.73648075     -9.97423172      2.32879386
  H      5.91652336     -4.39345607     -0.18154391
  O      0.13977028     -5.98167050      3.62808945
  H      3.32268808     -6.10234268      2.15882381
  H      6.45167300     -2.99076801     -0.54701861
  O      5.70712511     -3.69657004      2.87244320
  H      2.95468735     -6.85126778      0.83403058
  H      2.65138281    -11.11593816      0.56444451
  O     -1.27560690     -9.15229218      2.02348403
  H      0.92580191     -9.03816582      4.39038403
  H      3.93825109    -10.71981783     -0.19349633
  O      5.80483570     -3.44225142     -0.01107661
  H      0.07344408     -7.74012307      4.31223162
  H      2.94764284     -8.34271778     -0.42776530
  O      3.52467619    -11.43777943      0.29850733
  H      4.74038976    -12.59817841      3.06326711
  H      1.76561117     -8.83512004      0.43165414
  O      2.07257872     -8.08858956     -0.10314234
  H      4.13508998    -11.74350785      1.92286247
  H      6.61124811     -6.53090027      0.38998396
  O      5.90647349     -6.18202763     -0.17691028
  H      3.23669885    -10.48495360      3.70568015
  H      5.09289677     -6.21231431      0.34984212
          69
 Ord_Energy   -248.228668    
 O    7.06911898       3.59824586       2.84901071    
 H    7.75176048       3.01744056       2.49413371    
 H    7.06408215       4.39246321       2.29138708    
 O    6.54947424       5.03917408      -1.33346248    
 H    6.26197767       5.83231115      -1.80249786    
 H    5.83362341       4.39458036      -1.43472779    
 O    2.14256811       5.17373896       3.48682952    
 H    2.17300534       6.09654379       3.77270865    
 H    2.57068396       4.60984325       4.14294243    
 O    4.50595093       3.13878036      -1.70653796    
 H    4.99993896       2.31637049      -1.80557919    
 H    3.95285416       3.02987027     -0.919250965    
 O    3.20361400       5.53820753      -2.54755282    
 H    3.53428030       4.64514208      -2.39615941    
 H    2.44631577       5.66567564      -1.95828581    
 O   0.610110044       4.10944366       1.45118666    
 H    1.08340061       4.50798178       2.20140648    
 H  -0.260239184       3.87883782       1.76534021    
 O    2.60672522       7.81696653      0.949371159    
 H    2.40656114       8.02037811       1.86934662    
 H    3.14790273       7.01098919      0.979334056    
 O    1.17739546       6.00351429     -0.690713525    
 H    1.50809431       6.75926971     -0.187451065    
 H   0.897479594       5.35829544      -3.26896682E-02
 O    6.20772457      0.898744941      -1.65533626    
 H    6.96731853       1.50313520      -1.56450474    
 H    6.43429422      0.270598650      -2.33613396    
 O    6.84558201       5.79468489       1.29344249    
 H    6.95821953       6.74502230       1.41665733    
 H    6.80397511       5.59807444      0.346134752    
 O    6.76781464       8.52933025       1.76139760    
 H    7.38159800       9.25821018       1.77312171    
 H    6.12834024       8.70692539       1.04696429    
 O    5.27179813       7.24556732      -2.53920126    
 H    5.37701130       7.61774921      -3.41066909    
 H    4.47773743       6.67898321      -2.57134199    
 O    4.70233250       2.12211514       2.71524978    
 H    4.14407921       2.40768266       1.97806895    
 H    5.50898933       2.66102815       2.71428537    
 O    3.58609104       3.27508283       4.96404743    
 H    3.94675064       2.77374864       4.21274853    
 H    3.44164634       2.64822197       5.66816425    
 O    4.07117081       5.51402187       1.41166723    
 H    5.01936293       5.65236759       1.52008176    
 H    3.65797496       5.43107271       2.28045273    
 O    8.18185234       2.70473289      -1.20007205    
 H    8.47617912       2.56357169     -0.292028189    
 H    7.80080032       3.59092093      -1.24738622    
 O    4.95916414       8.83291912     -0.202838555    
 H    5.06408882       8.33720493      -1.02434409    
 H    4.07174730       8.63719082      0.125741303    
 O    6.43427944      0.390957862       1.16517699    
 H    5.73483562      0.804314494       1.68484449    
 H    6.19442511      0.485440433      0.234618723    
 O    3.10568404       3.10642505      0.649661303    
 H    3.48682475       3.98940659      0.796117485    
 H    2.16153860       3.21033430      0.812643588    
 O    2.42430067       7.92678356       3.83653736    
 H    3.39811659       7.92147160       3.90899777    
 H    2.10786676       8.60972691       4.42069006    
 O    5.74477530       5.17482281       4.76758242    
 H    5.02871895       4.58073807       5.01654434    
 H    6.33940840       4.63843346       4.22686005    
 O    5.08370781       7.73976040       3.95988131    
 H    5.39672661       6.88108397       4.28146839    
 H    5.69538212       8.03544235       3.27760649    
 O    8.73409557       1.80645430       1.48253107    
 H    7.96530771       1.21389651       1.39311254    
 H    9.47664642       1.26122844       1.72834468    
          69
 Energy    -248.22842103602514     
  O     -3.69967270      1.32613721      4.51217920
  H     -4.12041171      2.18178333      4.65853399
  H     -4.25062272     -2.16355086      2.39001455
  O      0.21663656      5.03648742      1.48879501
  H     -4.19914862      0.63190497      4.96137899
  H     -3.12871460      3.59570135      1.11822920
  O     -0.61809631      0.09858666      1.38895908
  H      0.35275301      4.36741181      0.79365681
  H     -3.96978178      2.31289449      0.90287622
  O     -5.48707560      0.69291276     -1.77412264
  H      0.63785766      5.83615660      1.18543853
  H     -7.45873738      2.02504978      0.59394102
  O     -3.21925640     -0.72938005     -1.59737192
  H     -0.97193160      0.59417808      0.63506368
  H     -6.93816970      3.30890396     -0.05891065
  O     -4.42642486      0.87776818      1.82310066
  H      0.33348233      0.25946672      1.39200801
  H     -0.12735234      2.53787788     -0.63418002
  O     -6.90848459      2.73433124      3.38766531
  H     -6.06098880      0.44544914     -1.03433421
  H      1.20022685      2.37578965      0.13080531
  O     -7.58035724     -1.83877774      2.25874973
  H     -5.53476544      1.65409141     -1.82879248
  H     -4.52330683      4.79886939      4.85474691
  O     -1.19310035      1.78600675      3.54603495
  H     -4.05401992     -0.23587316     -1.70056042
  H     -3.70671786      4.22254757      3.68080361
  O     -5.53565247      3.53522257     -1.42589542
  H     -3.13888567     -1.29515643     -2.36052666
  H     -1.86505887      3.34473076      2.93074853
  O     -6.85021829      0.25852587      0.59134960
  H     -4.29285788      1.03771275      2.76463683
  H     -1.44546333      4.65848173      2.24244807
  O     -4.99828804     -2.38210858      2.95931425
  H     -3.93226092      0.07841023      1.59846266
  H     -5.32591391     -1.25133115      6.25961019
  O     -3.58847170      3.07961568      0.44568413
  H     -7.13446387      2.93600666      2.46797809
  H     -5.99143743     -0.47388586      5.09368318
  O     -7.47642236      2.98958899      0.67254618
  H     -6.15096262      3.28319946      3.60906282
  H      1.04408696      3.79513633      2.77578823
  O      0.63484763      3.02869334     -0.29978002
  H     -6.66940227     -2.10707027      2.47524294
  H      0.48392775      2.58970837      3.55084739
  O     -4.46111958      4.05027738      4.26553747
  H     -8.11250771     -2.62917710      2.27681429
  H      2.90999914      0.83453843      1.45691556
  O     -2.20907613      4.18967084      2.60119470
  H     -1.04634071      1.14962934      2.83338878
  H      1.86554451      1.78167701      2.09582513
  O     -5.14486171     -0.83400104      5.42238585
  H     -2.00518650      1.52612968      4.00281176
  H     -7.27035858      1.08178078      3.99272047
  O      1.30841977      2.99456358      3.24406655
  H     -5.37305645      4.31383931     -1.95195225
  H     -7.61114538     -0.39003254      3.60030494
  O      2.00852862      1.13474997      1.38164798
  H     -4.81301721      3.47836873     -0.77767115
  H     -3.09232661     -1.32457884      0.20127950
  O     -7.35582802      0.17830231      4.33448842
  H     -6.06612765      0.51670117      1.09994096
  H     -2.08485802     -1.06698424      1.34659163
  O     -2.97318805     -1.39979533      1.15777408
  H     -7.23014568     -0.49935575      1.04971818
  H     -2.34214543      2.08750473     -0.43397012
  O     -1.66962375      1.49107230     -0.79290556
  H     -4.87286288     -1.91125910      3.79208403
  H     -2.13770143      0.75179715     -1.19989832
          69
 Energy    -248.22839608780333     
  O     11.07028188     10.36264688    -12.80195713
  H     11.84668550     10.74948130    -13.22319782
  H     16.30645889      6.01790503    -16.52540265
  O     13.97626912      6.85126498    -14.55817115
  H     10.66897031      9.78714611    -13.46591441
  H     18.78474680      6.60552991    -16.74215110
  O     17.01977110     11.27906964    -10.81097249
  H     13.79873952      6.35404499    -13.75054319
  H     17.68628280      7.64603876    -16.42690479
  O     16.88132759      9.09762939    -16.95112400
  H     14.43679244      6.30006025    -15.20749815
  H     16.71040414      7.84260803    -13.35831859
  O     12.62307580      8.82219694    -15.79700390
  H     17.41083088     10.55134151    -10.31070592
  H     15.24484281      7.88155102    -13.86834948
  O     16.17679262      7.14077529     -9.74932226
  H     16.12725789     10.98924652    -11.04336933
  H     10.96303906      9.40872146    -11.32408078
  O     13.59625521      5.80659441    -12.04439529
  H     16.72977139      9.80678077    -16.31295797
  H     10.19705677      9.10728446    -10.01431199
  O     14.66014685     10.08682586    -11.75551063
  H     16.02247626      8.89942014    -17.34404319
  H     19.02407324      9.64881569    -12.70149551
  O     14.32485100      8.25865468    -17.90449689
  H     11.69324980      8.71243838    -15.56561806
  H     18.93507310      8.82628437    -11.40271345
  O     16.34400793      5.09147590    -11.76210739
  H     13.09088859      8.11432127    -15.32154439
  H     10.79930209      7.28831140    -11.81132906
  O     16.29448638     10.80051237    -14.79509869
  H     15.25322215      7.42154746     -9.78076287
  H     11.70034070      6.20182347    -12.42828876
  O     15.37013924      5.82917787    -16.66517857
  H     16.25625859      6.40394923    -10.36595369
  H     19.05577226     12.21930817    -13.06627538
  O     18.04372165      6.77767874    -16.16658870
  H     14.47610235      5.42121464    -11.94919993
  H     17.94054347     11.49942193    -12.27254840
  O     15.94234210      8.41316604    -13.46132431
  H     13.57618519      6.57050425    -11.44822316
  H     18.58254223      7.27098307    -13.01560511
  O     10.86456541      8.76294301    -10.60140966
  H     14.13643068     10.51477729    -12.44272586
  H     18.10254032      6.56270209    -14.32982554
  O     19.19517391      8.77514144    -12.33209474
  H     15.21185932      9.44729100    -12.23558968
  H     17.46290067      8.29984572     -9.67095193
  O     10.87729374      6.68466667    -12.56210061
  H     13.66965493      8.52408065    -17.23860476
  H     18.64063750      8.85929026     -8.84176327
  O     18.44715440     11.48627988    -13.10510735
  H     13.92524075      8.41548609    -18.75663587
  H     13.93644655      8.79571746    -10.77471292
  O     18.03348712      6.55051681    -13.36620527
  H     16.96121786      5.55528963    -12.35289077
  H     12.61940071      8.22205771    -10.22729469
  O     18.18609757      8.95168478     -9.67484484
  H     16.71705889      4.22696924    -11.60606157
  H     14.42694905     11.15466896    -14.44865825
  O     13.55767219      8.02371308    -10.32628783
  H     16.16294913      9.93483871    -14.37534404
  H     13.20577218     10.28525518    -14.78866241
  O     13.51354918     10.97813991    -14.18746116
  H     17.04490445     11.18940425    -14.32931537
  H      9.25088788      8.11719046    -14.87492326
  O     10.13866152      8.33553812    -14.60471455
  H     15.03794586      6.54378333    -17.22372298
  H     10.39949770      7.67291504    -13.93986776
          69
 Energy    -248.22834438246031     
  O     18.04522645      8.76758675    -10.14347837
  H     17.50726353      9.41589663    -10.61631385
  H     18.58815152     12.04782551     -9.54423326
  O     14.25051704      9.10908549    -11.62771613
  H     17.65620207      7.89850266    -10.30378833
  H     17.45847260      9.74450232     -7.24830810
  O     19.37825017      4.32558352    -13.48140820
  H     13.34448806      9.34541031    -11.80609149
  H     18.12860257      8.92766752     -8.36875149
  O     21.55209366      7.16058702    -10.93068383
  H     14.34035479      9.06641587    -10.65674957
  H     20.56787833     10.46510150    -10.74760012
  O     14.62388118      9.08394285     -8.98835093
  H     19.59971822      3.50437923    -13.91372846
  H     19.59057179      9.28086423    -10.85973398
  O     22.03956722      7.20469558     -8.14158173
  H     18.48412612      4.56523602    -13.77645924
  H     20.62755924      5.79494561    -13.70745371
  O     15.51845352      6.56391816     -8.32314766
  H     21.87574314      7.14290364    -10.02231625
  H     21.52029558      6.66731180    -12.80235000
  O     19.96472572      5.47567404     -8.03966052
  H     21.23999891      8.06523617    -11.07783161
  H     16.05375568      4.48403390    -14.43551506
  O     17.76892031      6.48491028     -6.54532543
  H     14.89142129      8.20892138     -8.66760905
  H     16.46586688      5.85957327    -13.89901526
  O     16.94147070      6.29491148    -10.70601521
  H     15.09649708      9.73775079     -8.46404490
  H     15.75044378     10.24523531    -11.68846359
  O     16.17402710     11.05462414     -7.53378227
  H     21.30837326      6.56872666     -8.03694826
  H     16.97917497     10.39347011    -12.60843874
  O     17.62693170     12.13056030     -9.55239546
  H     22.78020344      6.85238923     -7.65490198
  H     18.34894669      9.34855735    -14.16783601
  O     18.11685750      9.05735633     -7.40691677
  H     15.94290403      6.34763073     -9.16579798
  H     17.25812469      9.94135861    -15.09148520
  O     20.39650325      9.65857391    -11.24546086
  H     16.19516366      6.42415040     -7.65178789
  H     19.91636699      9.51468829     -7.40899796
  O     21.22279507      6.55304884    -13.71442432
  H     19.16585902      5.71414065     -7.55397891
  H     21.29000033      8.93066129     -7.80554712
  O     16.81721140      5.01489538    -14.21938823
  H     19.69785930      5.23853101     -8.93657904
  H     15.28110072      7.89075210    -12.62675922
  O     16.63959310     10.62058050    -11.73320407
  H     17.72156871      6.43548694     -5.59367429
  H     16.50631577      8.09848887    -13.54202357
  O     17.39702404      9.55182597    -14.23290002
  H     17.90112093      7.42175055     -6.77219458
  H     20.41586928      8.17239629    -13.99856999
  O     20.82448016      9.75788333     -7.63480109
  H     17.80348159      5.86297729    -10.79080866
  H     20.19868624      9.37035772    -13.04915026
  O     15.97100146      7.41805237    -13.11036061
  H     16.64471755      6.56309732    -11.58392305
  H     21.10107739     12.48862967     -9.23240121
  O     19.97814879      9.03159847    -13.92733130
  H     16.67741554     11.49981333     -8.23973640
  H     20.65433851     11.09273892     -8.73550385
  O     20.48916117     11.77886337     -9.40797368
  H     15.78818823     11.74111546     -6.99680128
  H     20.17977505      5.94332983    -10.88791614
  O     19.49076541      5.26449298    -10.83762776
  H     17.31660459     11.76476885    -10.39121399
  H     19.49209333      4.80802454    -11.68793457
          69
 Energy    -248.22833582399625     
  O     19.10813343     10.20512342     -8.15783090
  H     19.93842685      9.78330712     -8.44660658
  H     18.15668335      8.64914433     -7.64655090
  O     18.20388649      6.09286128     -9.57797442
  H     19.35084788     10.88535243     -7.53521154
  H     17.93598778     10.52030763     -9.61643498
  O     17.14729636      4.72404252    -12.77037491
  H     17.40342029      5.57838130     -9.74391784
  H     16.44971231     10.14889753     -9.78751411
  O     16.49122259      7.27146329    -13.69851296
  H     18.19345808      6.80449469    -10.23798591
  H     21.67563368      8.14862015     -8.65569003
  O     20.19189714      7.34046668    -14.22011331
  H     16.84886480      5.54620543    -13.18410195
  H     21.26908166      8.83929262     -9.96280611
  O     15.75739864      4.98589523    -10.30228390
  H     16.65317856      4.64682536    -11.94561701
  H     15.02928309      9.63189082    -13.03768569
  O     18.23872658      9.12564512    -14.83278165
  H     17.04250402      7.84616728    -14.24704768
  H     13.60301691      9.33206643    -13.56196240
  O     22.19850985      6.37831376     -8.44436095
  H     15.65260046      7.73171219    -13.57316181
  H     20.02482426      3.86968527    -13.68011227
  O     15.43728119      6.50633817     -6.33737313
  H     20.04048066      6.40951497    -14.01995904
  H     18.85358869      4.63370291    -13.02303537
  O     20.83762546      8.04496071    -11.60760239
  H     20.61824220      7.69212520    -13.42628494
  H     13.12853940      5.63693860     -8.43586312
  O     18.06610914      8.08513049    -11.44460224
  H     15.28621585      5.80071677    -10.53108717
  H     13.08203810      6.72041125     -9.52727794
  O     17.56719814      7.88934499     -7.57029402
  H     15.33969106      4.64843001     -9.50051536
  H     14.62648717      9.03518996     -8.12775628
  O     17.22633587     10.46841339    -10.26996992
  H     18.97828506      8.51911068    -14.64813889
  H     16.11148548      8.64906570     -8.34221834
  O     21.32684600      8.97826255     -9.00858571
  H     18.39886028      9.48712083    -15.70080068
  H     14.25991415      7.89913602    -11.53219438
  O     14.32620374      8.95807635    -13.06610080
  H     21.75677908      5.91282756     -9.17130330
  H     14.75515128      7.99037639    -10.06719598
  O     19.81421270      4.65737251    -13.18513550
  H     22.95626128      5.84546395     -8.21604240
  H     12.96983865      7.69811579     -7.55225834
  O     12.64565078      6.42447690     -8.71664934
  H     16.25158268      6.95113743     -6.60717470
  H     12.58940729      8.73462757     -6.46623589
  O     15.35600213      9.09285961     -8.75668307
  H     14.74379269      7.17640425     -6.37019237
  H     16.80433333     10.76199713    -12.10697816
  O     14.38211765      7.38619491    -10.72564106
  H     19.87504383      8.16348083    -11.60814371
  H     17.18598857     10.24635898    -13.52503796
  O     13.32683448      8.37994001     -6.95457116
  H     20.97523777      7.15051216    -11.26605241
  H     19.84250863      5.52979493    -10.14650300
  O     16.46972578     10.62721487    -13.00337759
  H     17.50367412      7.81380444    -12.17882385
  H     20.49156337      5.04104273    -11.46299512
  O     20.69511515      5.39216432    -10.58731845
  H     17.72586765      8.91558678    -11.08862030
  H     14.41519084      3.64777161     -7.30143135
  O     14.51258449      4.43023177     -7.83731182
  H     17.88883207      7.21299265     -8.18439730
  H     14.89393679      5.11832661     -7.26290907
          69
 Energy    -248.22831062765636     
  O     16.02550647     11.61613707    -14.57231661
  H     16.09321678     11.45552588    -13.62108133
  H     14.68359054      5.14818856    -14.32105420
  O     14.74916623      5.71444721    -17.39051065
  H     16.51081026     10.90012544    -14.99741265
  H     13.92316501      6.81308342    -10.80721606
  O     12.80381364      7.67302038    -11.96661108
  H     14.83250503      5.40917734    -18.28960289
  H     14.81352291      7.14194593     -9.59503594
  O     12.35625821      6.32233190    -15.91506993
  H     14.93558384      6.67086799    -17.39700758
  H     15.54799739      8.07338090    -13.75510757
  O     13.25344167     11.70383050    -14.70756327
  H     12.01759754      8.10962495    -12.32830747
  H     15.16081044      9.40116377    -13.05565376
  O     15.13259182      8.39093799    -17.21859091
  H     13.55667154      7.97992702    -12.50121836
  H     18.28312344      9.42656713    -16.11070659
  O     15.12689515      8.76298982     -8.84355286
  H     12.43997377      5.81267318    -15.10051983
  H     17.41374926      8.57106556    -15.16241943
  O     18.51840468      4.45541673    -11.30601072
  H     13.05750384      6.00608928    -16.49816484
  H     11.12978210     10.13264490    -12.94759761
  O     12.88018392      8.98649592    -15.49212646
  H     14.21914570     11.77351342    -14.73138151
  H     11.43246722      9.18852627    -14.12305706
  O     14.15339253      3.87035034    -11.09256223
  H     13.03210968     10.89326278    -15.17969121
  H     12.40579654     11.84946315    -13.21129406
  O     16.46077049      3.35818546    -12.71757937
  H     15.90547627      8.79042963    -16.80185697
  H     11.40783131     12.63069298    -12.32257210
  O     15.52350525      5.05150299    -14.79142098
  H     14.35990136      8.76298531    -16.77810946
  H     13.32714465      4.60190119    -12.65606468
  O     14.63242240      6.45613252    -10.25464794
  H     14.50619438      9.38698536     -9.24007815
  H     12.86680999      6.04667245    -12.91085328
  O     14.79886093      8.62655491    -13.50605963
  H     16.00210523      9.04136090     -9.13953524
  H     13.11663867      9.36182191    -10.95240302
  O     17.39957169      9.33605077    -15.76084948
  H     17.84646795      3.98354526    -11.82832975
  H     12.85194819     10.86737119    -11.11615501
  O     11.00287864      9.22790250    -13.25998792
  H     19.23885496      3.84431180    -11.18335355
  H     17.27354531      7.07534445    -13.11055507
  O     11.89568228     11.81382228    -12.38092977
  H     13.56744532      8.90632609    -14.81183603
  H     16.65508141      6.38547656    -14.36307333
  O     13.10076515      5.22354589    -13.35884513
  H     12.59257390      8.08465793    -15.70386213
  H     15.02573389     10.66027811    -11.42027845
  O     13.39665753     10.22819447    -10.63527530
  H     13.76685007      3.32391612    -10.41244791
  H     16.53411869     10.30661483    -11.35874536
  O     17.10652366      7.18525806    -14.05627850
  H     14.36870391      4.72240647    -10.67779288
  H     18.49149156      9.45878904     -9.85611120
  O     15.84850200     10.67768726    -11.92793346
  H     15.68107239      3.40749196    -12.15092178
  H     17.58967976      8.43613267    -10.59003611
  O     17.61338431      9.32886317    -10.20458453
  H     16.22697669      3.82255574    -13.53143211
  H     17.76818495      6.03094442    -11.21777097
  O     17.25006062      6.84761519    -11.28849244
  H     15.32839378      5.16085483    -15.73101433
  H     16.35367496      6.65561157    -10.98432184
          69
 Energy    -248.22829968457583     
  O     11.28290501     10.24061651    -11.03639806
  H     12.17650336     10.48010842    -11.31614613
  H     15.15137592     11.86947162    -14.68923680
  O     13.53325323      7.67516156    -15.13059924
  H     10.75202038     10.18808255    -11.84018150
  H     16.20759203      7.00118441    -13.64683655
  O     12.41564195     10.12210203    -14.45343713
  H     13.05460172      8.50238616    -14.99175416
  H     15.62037170      8.06439104    -12.65519675
  O     15.38203574      4.90497770    -10.45506138
  H     14.34073645      7.73889362    -14.59382437
  H     10.29574079      7.92040894     -9.09115259
  O     12.67908352      5.77635860    -13.26114905
  H     12.91810614     10.23843777    -13.63234146
  H     10.98403117      8.73226537    -10.21707710
  O     15.24603330      8.46143083    -10.92797432
  H     11.49083836      9.98824747    -14.21090966
  H     18.37226861      6.62189994    -11.47398636
  O     15.87290351     10.08397002    -17.24513800
  H     15.29418008      4.47579380    -11.31343639
  H     19.10774229      7.29817671    -12.66127704
  O     14.87961787      3.98835824    -13.15075036
  H     14.56886191      5.41798284    -10.34694362
  H     10.30894980      7.16894137    -11.63709723
  O     17.36645783      9.56706232    -15.01816340
  H     12.91389073      6.39032079    -13.97070432
  H     10.94682853      6.48198304    -12.86633530
  O     14.82300470      7.43938525    -17.54427899
  H     13.35092372      5.08227736    -13.26362777
  H     18.84958247      9.23854617    -14.01544234
  O     17.37706858      6.83749870    -16.37129914
  H     16.01773846      8.06594688    -10.50448612
  H     20.34186142      9.36462405    -13.67819332
  O     15.67160629     11.69491808    -13.89568806
  H     14.50407895      7.85729780    -10.77195537
  H     17.72590424      5.64173644    -13.45689260
  O     15.75033720      7.85005663    -13.58677828
  H     15.47421687      9.24162270    -17.49535910
  H     17.20302150      5.75128689    -14.93397273
  O     10.80051263      7.83117426     -9.89450655
  H     15.14682537     10.66899881    -16.99372907
  H     17.65046452      6.65414980     -9.04962126
  O     18.77874129      6.45002298    -12.33083886
  H     14.95244213      3.07137644    -13.40359946
  H     16.66265405      6.04636312    -10.07434368
  O     10.20824867      7.03806450    -12.58866641
  H     15.65741452      4.44235937    -13.52161411
  H     13.26133018     11.19279124    -15.60440756
  O     19.54391518      8.90579533    -13.42651925
  H     16.76467623      8.99365322    -14.51754617
  H     13.33653470     12.49315423    -16.43818887
  O     17.00741651      5.38702055    -14.05889677
  H     16.92115075      9.80951352    -15.84437729
  H     12.38628371      6.99439313    -10.26897986
  O     17.27339603      6.78875701     -9.91522087
  H     14.28772913      7.46341687    -16.73349125
  H     12.99318108      6.37182216    -11.55963077
  O     13.84987922     11.74381403    -16.14670893
  H     14.31684837      6.96198506    -18.19653010
  H     14.36796268      9.91202492    -11.62787758
  O     13.19662808      6.63755294    -10.65123975
  H     16.56056140      6.97539149    -16.86799012
  H     14.53169865     11.07666583    -12.63569569
  O     13.87570473     10.57756412    -12.12640284
  H     17.64656013      7.71151518    -16.07325876
  H      9.95649596      8.63999269    -13.22445445
  O      9.88210322      9.57777598    -13.47832472
  H     16.38033486     11.10623303    -14.17737041
  H      8.97122572      9.72855995    -13.71484436
          69
 Energy    -248.22817225942384     
  O     14.90175259      9.15313982     -9.28795493
  H     14.40530836      9.71388807     -8.69786758
  H     13.84002269      6.83435581    -15.93880561
  O     15.87353536      5.13835593    -13.39292172
  H     14.79787807      9.52209818    -10.18226897
  H     17.95169677      6.16910716    -16.15565703
  O     14.75540943     10.04800248    -11.84793327
  H     14.98820968      4.98521465    -13.04848058
  H     19.25364392      6.66407903    -16.83106748
  O     16.90254948     11.47406805    -13.01972031
  H     16.00494206      6.09705298    -13.31220278
  H     15.74666996     10.15392766    -15.67943374
  O     10.89797175      8.08425908    -16.37399619
  H     15.44602174     10.63950021    -12.17407080
  H     15.85786834     11.29356373    -14.64560357
  O     17.42235569      5.80114230     -9.57529443
  H     14.03023894     10.06196001    -12.48882666
  H     15.52627164      8.51345880    -12.77113551
  O     12.78065458      7.13841809    -14.48091997
  H     17.35736572     12.27192320    -12.76163108
  H     16.10988585      8.18025885    -14.18894548
  O     13.09366679      9.90900532    -13.99340810
  H     17.49151641     10.73339404    -12.79156123
  H     14.67555756      7.34126423     -9.78882704
  O     13.23284234     10.87109916    -17.32825932
  H     11.44322433      8.08280424    -17.17089722
  H     15.61127802      6.13886804     -9.97197667
  O     16.56330493      5.11446270    -16.09910764
  H     11.40734491      7.60685647    -15.70493994
  H     18.85107563      5.64013985    -12.47859483
  O     16.39526755      8.55432122    -15.96932210
  H     17.78945686      5.49909194    -10.42606256
  H     17.50368256      4.87790293    -12.49592048
  O     14.38754491      6.82547174    -16.73756380
  H     17.76005803      5.21005722     -8.90813104
  H     13.77608378      5.84931744    -11.48040679
  O     18.61609396      6.88265211    -16.15636864
  H     12.93207087      8.05674907    -14.21889369
  H     12.67417029      4.84467170    -11.88449033
  O     15.29857217     10.95052656    -15.35126677
  H     12.92639792      6.58356196    -13.70504241
  H     17.60762655      8.62777533    -12.63792551
  O     16.06352220      7.88681518    -13.26850627
  H     12.28717921     10.24310178    -14.40433659
  H     18.21650094      9.09321314    -11.30242821
  O     14.71468506      6.44929767    -10.15257725
  H     13.83463952     10.26103457    -14.50922285
  H     19.39206560      7.84044189    -13.07495845
  O     18.30782525      5.01388538    -11.97901751
  H     13.98646872     11.06462091    -16.75731111
  H     19.32125417      6.99967862    -14.37180552
  O     13.28859997      5.48163918    -12.24000646
  H     12.44375100     10.98288732    -16.78311598
  H     17.72651402      7.66130436     -9.57462860
  O     18.27110235      9.22533810    -12.26145115
  H     15.78377146      5.54637426    -16.47088938
  H     16.82038843      8.88468340     -9.40495351
  O     19.61826736      6.98318314    -13.45411173
  H     16.34808834      4.95805369    -15.16862774
  H     13.03580291      9.30996730    -18.12073714
  O     17.71896013      8.62576806     -9.63962895
  H     15.71160712      7.95943390    -16.31140227
  H     12.76262943      8.48922122    -19.40394543
  O     12.84438764      8.41644429    -18.45681241
  H     17.24504242      8.11179481    -16.08893938
  H     10.80363447      9.75869331    -15.87989562
  O     10.93908122     10.68058052    -15.59365718
  H     13.88510273      7.27637181    -17.42724333
  H     10.07897808     11.08832794    -15.55107734
          69
 Energy    -248.22813074092937     
  O     -1.01132965      2.62925763      2.01313755
  H     -1.80702767      3.08844259      1.71409936
  H      2.65305120     -0.43824693      2.96871687
  O     -0.14683066     -1.14780717      4.51508180
  H     -1.28804709      1.73507408      2.24949985
  H     -0.36496025     -2.46982086      0.35424159
  O      2.11260716     -3.24825558     -0.68185715
  H      0.62395220     -0.58013535      4.63687752
  H     -1.02284659     -3.82718180      0.70551510
  O     -2.37559950      0.26146329     -1.74811818
  H     -0.73323735     -0.67301987      3.91071519
  H     -1.14267084     -0.38636393      1.91057154
  O     -3.68959251      0.77665195      0.70196687
  H      1.16667763     -3.41306097     -0.57697477
  H     -2.59704743      0.18670446      1.90618719
  O     -2.14849845      3.10235588     -1.62604836
  H      2.50425655     -3.41404020      0.18395925
  H     -1.90983621     -2.83607929     -1.28158796
  O      0.43074649      2.89080948     -0.40446025
  H     -1.40798488      0.29318489     -1.74745604
  H     -2.80633834     -3.22973619     -2.46523078
  O      2.77328429     -0.99551078     -2.06316930
  H     -2.59306200     -0.67046223     -1.88862933
  H     -2.14763279     -5.36435264      2.46462209
  O      0.38398059      0.37867495     -1.52733565
  H     -3.29977201      0.57016749     -0.15948045
  H     -2.11420877     -3.85820081      2.80978543
  O      0.20548716     -0.86043416      0.92780981
  H     -3.75623782      1.73755511      0.74343809
  H      2.12747781      2.92183988      2.30008549
  O     -2.62261397     -2.48469502      3.79280060
  H     -2.32903183      2.17379472     -1.82642124
  H      0.67265662      2.76646270      2.79557564
  O      2.76465052     -0.78594200      2.07533648
  H     -1.21086261      3.15072363     -1.39885067
  H      3.67900503     -4.19206945      2.36304235
  O     -0.65382054     -3.31465654     -0.02394006
  H     -0.06439729      2.76518341      0.41776816
  H      2.24386809     -3.63384621      2.53892491
  O     -1.85753885     -0.06397336      2.48342607
  H      1.32253699      3.15145123     -0.14407689
  H     -0.00519559     -4.01752011      3.06812740
  O     -2.57281696     -2.49634024     -1.90175427
  H      2.56148145     -1.81758070     -1.58579387
  H      0.48941689     -2.75885251      3.82037540
  O     -1.66775197     -4.55691440      2.30030124
  H      3.16560842     -1.25521383     -2.89249916
  H      1.96715029      1.30023440      4.03413791
  O      1.59585434      2.66873804      3.06400565
  H      0.54636481      1.28112158     -1.21547298
  H      2.70192950      0.72386699      5.26895112
  O      3.06285676     -3.55384629      2.01483731
  H      1.21436426     -0.00712754     -1.82987635
  H      3.51267503      0.21011019     -0.78274731
  O      0.78234224     -3.58983535      3.42272049
  H      1.08329146     -0.84068932      1.32815791
  H      3.46568978      0.22418459      0.75389390
  O      2.17453137      0.47706964      4.51414679
  H      0.25988113     -0.40710990      0.07546287
  H     -2.96564563      3.53648726     -0.14264193
  O      3.71661679      0.75593849     -0.01551343
  H     -2.65109685     -1.68294636      3.25434734
  H     -3.92161638      4.37729103      0.73886210
  O     -3.32519307      3.63440229      0.75789562
  H     -1.93682684     -2.29693345      4.44314482
  H      3.72360386      3.87266246      0.48569136
  O      3.00341087      3.26657874      0.63475830
  H      2.98920166     -1.72384866      2.13012292
  H      3.31736779      2.38194333      0.37115142
          69
 Energy    -248.22807629399875     
  O     16.44507751     10.12771711    -12.62115489
  H     17.32815045     10.01269317    -12.25337875
  H     11.49459072      7.93029411    -10.04372756
  O     13.25916808      5.18959571     -9.81396830
  H     15.85072676      9.63016790    -12.03601284
  H     20.07950344      6.86935916    -12.52501901
  O     11.45538050      5.41699244    -12.00775167
  H     12.62976034      5.16422727    -10.54705617
  H     19.18058083      6.28243078    -11.41473249
  O     15.86799384      8.50637508    -14.77241436
  H     12.96317322      5.91142863     -9.24615067
  H     14.84028346      5.61824457    -10.55783896
  O     18.82244760      9.46438020    -11.29064340
  H     10.78791799      4.80484171    -12.30568917
  H     15.23394028      7.00923586    -11.09838936
  O     18.14792870     10.93798750     -9.09132268
  H     11.99605108      5.63969470    -12.78637396
  H     19.77041750      8.36912222    -14.09744826
  O     17.98170348      7.05252047    -10.17051806
  H     16.09951121      9.12802561    -14.06566539
  H     21.21853900      8.83832759    -13.82061087
  O     12.97775676      6.11926067    -14.12874874
  H     15.83045864      7.61887133    -14.38404074
  H     14.93235680     11.81186255    -10.00141078
  O     14.41685514     11.94579509    -11.74699516
  H     19.45173129      9.27666586    -11.99838041
  H     16.22461687     11.52966511     -9.19430849
  O     13.14308687      8.84614788    -15.00455385
  H     18.51122513      8.60877763    -10.95830240
  H     17.69372406      8.13169215    -15.25350966
  O     12.58888507      9.83878137    -12.38801593
  H     18.74215613     11.66678622     -8.92893509
  H     18.52373048      6.84034812    -15.11218212
  O     11.14221084      8.03580853    -10.93543167
  H     18.44660325     10.51073019     -9.91213471
  H     13.92187300      9.01917102    -11.50041983
  O     19.69201240      6.04766705    -12.19981903
  H     17.82631328      7.41073693     -9.28968238
  H     14.66992120      8.87319270    -10.13540758
  O     15.54969750      6.09496481    -11.01007596
  H     17.15377014      6.63183752    -10.44877504
  H     15.50024885      8.78969514     -8.03404448
  O     20.40645285      8.58412826    -13.39111930
  H     13.92244204      5.92308848    -14.07403593
  H     14.73054075     10.05670090     -8.48950090
  O     15.26772448     11.59516300     -9.11814971
  H     12.91278466      7.01650056    -14.47529082
  H     16.59347893      5.50904350    -13.99886280
  O     18.59750770      7.79379420    -15.24660100
  H     13.66162237     11.38278522    -11.96327269
  H     15.70848429      5.88445420    -12.77640989
  O     14.71504458      8.66365915    -11.07592165
  H     15.17054155     11.54025164    -12.19391509
  H     17.67687116      9.43072868     -8.15921881
  O     14.63095116      9.10837737     -8.30044926
  H     14.11353002      8.79305973    -15.01734659
  H     17.80102982      8.48300149     -6.94444386
  O     15.75513839      5.91125866    -13.74365629
  H     12.87830220      9.21778584    -15.84247691
  H     13.14784179      8.11349506     -8.28447069
  O     17.40205433      8.56833964     -7.80772574
  H     11.94858500      9.27230338    -11.92894078
  H     11.89013468      7.59935302     -7.55399933
  O     12.37184213      7.53700950     -8.37552400
  H     12.66353663      9.53036275    -13.29894122
  H     18.84445090      5.33487995    -13.55900649
  O     18.36267378      5.07645240    -14.36500288
  H     11.15764871      7.15223489    -11.32468810
  H     18.73856939      4.25153244    -14.65986755
          69
 Energy    -248.22796317379732     
  O     12.53952160     11.64096802    -15.11727918
  H     13.38193454     12.02229267    -15.38766303
  H     12.15932232      6.02287613    -14.94882574
  O     14.48630279      6.47509413    -12.87826877
  H     12.55642161     10.72952579    -15.44314225
  H     17.85197205      6.00537803    -14.30332664
  O     17.97673235     10.35639678    -12.07701767
  H     15.23053810      6.09437067    -12.40105287
  H     18.56664977      7.09744955    -13.47771659
  O     17.54554613      8.58049834    -16.00082425
  H     14.82552847      7.19766107    -13.43050359
  H     15.63998997     10.95039556    -16.99214291
  O     10.83087822      7.39477060    -14.76046439
  H     17.59787470     10.20172353    -11.20134442
  H     16.55982891      9.70870407    -17.08455400
  O     16.39916232     10.00385260     -9.80811242
  H     17.24731069     10.72530132    -12.59199219
  H     15.92800813      8.53468944    -15.06927114
  O     13.35448076      8.00801171    -10.88724568
  H     17.58417572      7.63058476    -16.17645949
  H     14.36782550      8.71028275    -15.01540875
  O     15.58877629     11.04950987    -13.35883492
  H     18.18744547      8.75766445    -15.30097896
  H     11.95941321     11.63327315    -13.48383639
  O     14.88731983      5.98651325    -16.94712015
  H      9.90306359      7.24906675    -14.92357458
  H     10.99697977     12.25405871    -12.44415565
  O     15.61241368      7.26799343     -9.30779302
  H     10.89516884      7.84833380    -13.90066151
  H     11.75321738      8.44502171    -11.78590664
  O     17.42530369      5.78755264    -16.13725134
  H     15.57892169     10.40539261    -10.12095803
  H     11.20273448      9.70990347    -12.47434598
  O     12.96597092      5.49974026    -15.01558835
  H     16.17782479      9.09037974     -9.59347238
  H     20.21343305      9.01554132    -13.77495660
  O     18.11405828      6.24780798    -13.40680091
  H     13.65037479      7.47094772    -11.63811361
  H     18.84672100      9.35775912    -13.13603364
  O     15.85695752     10.18949087    -17.54350883
  H     13.95515787      7.77857710    -10.16961964
  H     17.25270727      5.82988396    -11.99733799
  O     15.16503533      8.58751837    -14.48077054
  H     15.03901556     11.08257484    -12.56537521
  H     16.78326888      4.62113233    -11.15806070
  O     11.64276228     11.56326258    -12.56524077
  H     15.45631150     10.16217867    -13.72678803
  H     14.69795684      9.03915267    -18.12453545
  O     11.10398952      8.75105206    -12.43172059
  H     14.58334772      6.72997297    -17.47795758
  H     13.83416461      8.44880350    -19.26592356
  O     19.28655200      8.79515591    -13.80013880
  H     14.17720528      5.77176317    -16.32397756
  H     13.14127802     11.15089235    -11.51735050
  O     16.66610330      5.56190894    -11.26618631
  H     16.03321033      6.68935194     -9.96293832
  H     13.74569164      9.80477946    -11.07337272
  O     14.03275131      8.35899226    -18.33810937
  H     15.78066642      6.88096659     -8.45161950
  H     15.42525167     11.95634787    -14.85284734
  O     13.93669447     10.75139228    -11.14284487
  H     16.49076711      5.80617919    -16.41634523
  H     15.68043398     13.19571976    -15.74088618
  O     15.25208296     12.34342902    -15.72914513
  H     17.86065438      5.14320515    -16.68853854
  H     12.10047275      8.40663105    -15.62399594
  O     12.80313723      8.99697089    -15.92443859
  H     13.46837509      5.70695580    -14.21525321
  H     13.06641292      8.73811285    -16.81667567
          69
 Energy    -248.22790364771112     
  O     16.97370551      9.41580106    -10.20013351
  H     16.25450439      9.18713372    -10.80587049
  H     14.37888120     11.31676026     -7.62826783
  O     13.44188201      5.40963595     -6.01360197
  H     17.60491245      8.68326265    -10.17621497
  H     11.99289729      9.83249291     -4.90254267
  O     17.86227551     11.82063856     -9.31840769
  H     13.24789473      4.68077709     -5.43082480
  H     12.22650201      8.79944778     -6.03338376
  O     11.67052472      7.48477538     -6.95076250
  H     13.85778907      6.10289994     -5.47044024
  H     14.39096735      5.59560363     -7.58692427
  O     14.76435657      8.72939399    -11.67440180
  H     18.12635752     12.37020477    -10.05164717
  H     15.02939467      6.84995466     -8.23777555
  O     18.73169925      7.30788995     -9.88621855
  H     17.54077282     10.98345384     -9.69658563
  H     19.98438322      7.44215739    -12.92145784
  O     19.48724976      7.95675015     -7.21893549
  H     12.14133111      6.67419515     -6.72955957
  H     19.11321676      7.50827967    -11.65835277
  O     17.08146432      5.16079308     -9.92202102
  H     11.63641550      7.54323370     -7.91706721
  H     17.21565692     10.02649908     -5.32265952
  O     11.72625949      7.76446738     -9.70227011
  H     14.10817009      9.36835521    -11.37028285
  H     17.38520296     11.09988066     -4.22255310
  O     15.88436446     12.15558695     -7.28468404
  H     14.43130765      7.85938087    -11.40892711
  H     17.38569081      7.42174110    -13.21081810
  O     12.81470707     10.35505802    -10.42098393
  H     19.04418150      7.45886475     -8.98782490
  H     15.91341451      7.87582496    -13.00125201
  O     13.63419206     10.73000791     -7.83624692
  H     18.18890408      6.50178963     -9.88300867
  H     14.73013028      9.26148091     -7.97159038
  O     12.64620822      9.51879749     -5.52222339
  H     19.52210593      8.93013294     -7.24970075
  H     15.98879857      8.88086594     -8.79118324
  O     14.86857131      5.90319837     -8.36561538
  H     20.31466903      7.66316079     -6.84537561
  H     18.96854441     11.11213252     -7.96394072
  O     19.10718536      7.66029280    -12.61608474
  H     16.35436744      5.30222951     -9.30059200
  H     18.81814427     10.90182722     -6.44801588
  O     17.39173863     10.96970250     -5.16731336
  H     16.67179421      4.94727962    -10.76891003
  H     15.45049587      7.74350662     -4.95157754
  O     16.46560183      7.20409739    -13.41789140
  H     11.98435856      8.64698077     -9.99036435
  H     13.99504474      8.27374653     -4.89320654
  O     15.41873003      8.59289706     -8.06595980
  H     12.28884235      7.15480222    -10.19683958
  H     14.28530623      5.64442859    -11.46903885
  O     19.36960402     10.66919450     -7.20552561
  H     16.35457728     11.84450552     -6.50151271
  H     14.10413164      6.05374003     -9.98886748
  O     14.55243492      7.51430379     -4.68144259
  H     16.53348016     12.15388855     -7.99910296
  H     17.84688124      8.03188868     -6.20746699
  O     13.78149275      6.22531898    -10.88651100
  H     12.26648282     11.08242624    -10.70487974
  H     16.41698493      8.43036261     -6.63003887
  O     16.99946786      8.33154586     -5.85930649
  H     13.07810777     10.54576368     -9.50458890
  H     15.67893426      4.13905621    -13.08060715
  O     15.68598935      4.81988049    -12.41401547
  H     13.24108274     10.43106964     -7.00646384
  H     15.99353280      5.63672514    -12.84800525
          69
 Energy    -248.22781114837090     
  O     14.94607298     12.77802315    -13.01895189
  H     15.42683643     12.10405992    -12.52295761
  H     17.39624770     10.63739113    -16.58440716
  O     17.19327226      7.87951927    -11.50217977
  H     14.02035726     12.67411545    -12.76346469
  H     14.57081226     10.17220398    -15.00274291
  O     17.61366997      9.17455265    -15.47637902
  H     17.09328720      7.70494844    -10.55756699
  H     15.99584974      9.57805672    -14.75563085
  O     13.61366519     10.99461290    -16.36348506
  H     16.59244557      7.27201093    -11.96027476
  H     11.98946303     11.61378853    -13.05312451
  O     14.06780829      8.37125364     -8.57963217
  H     18.20576884      8.79392291    -14.81694510
  H     11.52231955     12.76289475    -12.12955415
  O     11.96982700      7.91125561    -11.54986144
  H     17.15860508      8.43921760    -15.91375581
  H     15.20328198      5.36287696    -11.15185482
  O     15.84516431     10.33386385    -11.86371936
  H     14.13701766     11.80163481    -16.25802613
  H     15.62285474      5.77424987     -9.72355613
  O     15.95767456      7.25589328    -16.64669609
  H     14.00795831     10.48248038    -17.08025451
  H     11.48174689      7.82035437    -13.16772252
  O     12.56177279      6.10310497     -9.46264658
  H     13.46084647      7.64046296     -8.75239063
  H     10.44022220      7.35514681    -14.21823394
  O     13.94671457      7.20643072    -14.68834941
  H     13.79047165      9.09019261     -9.16270121
  H     18.47734277      7.86225828    -12.73577405
  O     17.55595435      5.65496045    -14.79584636
  H     12.44802144      8.69529964    -11.25096856
  H     19.95365960      7.78875766    -13.19141769
  O     16.98673639     11.26038965    -17.20221228
  H     12.09552641      7.24071912    -10.86873828
  H     16.31331436      5.69549959    -13.45272449
  O     15.10797114      9.66684189    -14.38137903
  H     15.50112015     10.12910649    -12.74923683
  H     14.91715338      6.34650682    -13.37420919
  O     12.24910052     12.16838224    -12.29515791
  H     16.41056035      9.58725397    -11.63602417
  H     16.96529126      7.24341196     -8.01981772
  O     15.00711699      5.21852613    -10.21534765
  H     15.65784131      7.89772681    -17.30217616
  H     15.67869767      7.73098273     -8.72608896
  O     11.27135946      7.81124199    -14.12156800
  H     15.20775197      7.11572317    -16.04925081
  H     15.13322754      9.56085953    -19.20745461
  O     19.05660659      7.80713329    -13.51461670
  H     13.40327229      5.70541514     -9.75053572
  H     15.86742098     10.15990976    -17.98353461
  O     15.63375355      5.99353058    -12.83139924
  H     12.08058009      5.42399236     -8.99854993
  H     12.89744114     10.89650502    -11.05900858
  O     16.53349163      7.28502910     -8.86849933
  H     14.32105263      8.08076866    -14.49637107
  H     14.27540999     10.21254840    -10.98731802
  O     15.17784324      9.52687248    -18.25510966
  H     12.99197678      7.29685107    -14.59050623
  H     15.26449376     12.99125729    -14.72462893
  O     13.37609659     10.17806127    -10.62932026
  H     17.12486886      6.04870879    -15.56411857
  H     15.38110812     14.02552445    -15.86459872
  O     15.36420815     13.08831803    -15.68828327
  H     18.18934380      6.30740760    -14.47331880
  H     11.45296693      9.68021566    -14.37247085
  O     11.62091769     10.62837442    -14.42730518
  H     16.56506665     11.94150576    -16.66442870
  H     12.19457960     10.76390298    -15.19285772
          69
 Energy    -248.22771050319079     
  O     17.37237237      4.37347825    -15.42276174
  H     16.97494504      5.24221775    -15.56756551
  H     17.76101988      5.78927973    -11.52438570
  O     18.68038627      8.13820743     -9.81351361
  H     16.64261645      3.78920200    -15.18318881
  H     15.02686421      9.40018218    -17.58991364
  O     13.00052908     11.64634740    -10.95272259
  H     19.42664480      8.07807399     -9.22134470
  H     15.47096840     10.00594347    -16.24200185
  O     17.60051237      8.03765611    -13.45605730
  H     18.79720894      7.43723138    -10.47497585
  H     15.51672967      8.29263305    -11.16604800
  O     19.28057503      4.05188322    -13.50910670
  H     12.57405318     10.79922028    -10.77372982
  H     14.45686552      8.16624005    -12.29212529
  O     11.98797763      8.96992513    -10.46440199
  H     13.75902102     11.69593988    -10.35457993
  H     15.85330686      2.69490879    -13.49681612
  O     15.94642606      7.39813268     -9.58845958
  H     18.08389640      7.39329110    -12.92593862
  H     14.83402948      1.99617812    -14.42937503
  O     12.78780887      7.48304509    -12.66917343
  H     16.79320622      8.25731503    -12.96227320
  H     16.10456283     11.26539815     -9.80711930
  O     18.06100891     10.78460762    -13.37055571
  H     20.05768538      3.65442746    -13.89259883
  H     15.61098800     12.27001665     -8.74387099
  O     14.12656350      9.10348231     -8.55273959
  H     18.65165073      4.19625447    -14.23906851
  H     15.49865788      5.37150423    -11.97634501
  O     16.07580813      6.87258697    -15.39350272
  H     11.07558704      8.78119064    -10.25599351
  H     15.90154466      5.87922688    -10.55397282
  O     18.65202485      6.11473967    -11.72678340
  H     12.21905578      8.40040166    -11.21559093
  H     13.89062866     11.38228316    -12.47066648
  O     15.09346600      9.21354942    -16.65604649
  H     16.84465674      7.71698032     -9.44466693
  H     14.88473501     10.23119136    -12.73716237
  O     15.30219739      8.57338890    -12.06405197
  H     15.33036919      7.94654041     -9.07928338
  H     17.72302916     10.82937896    -11.56076950
  O     15.24616519      2.83563958    -14.24557765
  H     12.69738102      8.04088792    -13.45898070
  H     17.99165816      9.88417372    -10.36880040
  O     15.32068759     11.55946208     -9.30994965
  H     13.20472922      6.65730456    -12.94856531
  H     15.96285659     12.42864545    -15.55770261
  O     16.07780613      5.20146575    -11.22177672
  H     17.49128097     11.11397607    -14.07208884
  H     15.41668591     11.41877292    -14.52060160
  O     14.45295267     10.99110794    -13.15310695
  H     18.06892994      9.82345644    -13.48434700
  H     14.97982597      5.98056667    -14.20758304
  O     17.52793078     10.68843107    -10.62352654
  H     14.51123813      9.97432699     -8.71949196
  H     14.57811990      4.53879580    -13.80890433
  O     15.98040635     11.50703366    -15.31133592
  H     13.35411163      9.03451955     -9.12772834
  H     17.88314644      3.05363843    -12.54600998
  O     14.48501122      5.46511001    -13.55422193
  H     16.69817014      7.28258742    -14.77248700
  H     16.69370682      3.50485059    -11.67866235
  O     17.03333973      2.76041084    -12.19652493
  H     15.71569363      7.59218373    -15.92267817
  H     13.50713137      9.13055893    -15.49316738
  O     12.90425613      9.24577788    -14.75111178
  H     19.05086974      5.44706968    -12.29836400
  H     13.29553562      9.95266879    -14.21902915
          69
 Energy    -248.22755380792216     
  O     14.51351258     10.85831294     -9.48359373
  H     14.80597271     11.77275390     -9.61135071
  H     12.46411506      3.96089139    -13.99088471
  O     16.78935457     12.26501024    -13.69422222
  H     15.22665225     10.30681664     -9.82972188
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  H     10.45448744      8.33049527    -10.45073869
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  H     11.54609719      6.40436363     -9.70306330
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  H      8.83161464      8.36995450    -13.88424378
  H     10.71664487      6.83243623     -8.47605781
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  H      9.84389236      8.69472144    -12.75913846
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  H     13.96524825     11.13777944    -13.85260632
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  H     15.16603009      7.93015118     -8.11770081
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  H     15.67824269      9.36478887    -13.96244743
  H     16.44926964      7.38571124     -7.44001718
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  H     12.28882455      4.77359851    -11.49363972
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  H     13.15316156      5.18229368    -10.30273664
  O     14.76768331      6.05513477    -10.24977078
  H     16.46861160     12.86183617    -10.50291632
  H     13.75417898      8.60540385    -16.86858551
  O     11.24917110      7.17558322     -9.19056203
  H     16.65880444      8.69800704     -9.68619970
  H     14.16450136      9.26899402    -15.53618509
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  H     16.59388463      8.82965467    -11.24073223
  H     12.62119421      7.66055120    -14.76865246
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  H     14.76393259      4.97346520    -13.14078066
  H     12.78843541      8.19643059     -8.49764058
  O     13.44515661      8.79366488    -15.98588207
  H     17.56524141     10.85442755    -10.83991920
  H     13.70375467      9.46059404     -8.46690577
  O     12.14942644      7.16781366    -14.08475518
  H     18.81774044     11.75764693    -10.83657432
  H     15.09201804      8.16209707    -12.43252315
  O     13.56690389      8.58434926     -8.08245746
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  H     16.06784566      7.10203117    -12.95540191
  O     15.98976828      8.05063530    -12.78642201
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  H     12.63427680     11.04996684    -12.00406254
  O     12.38924118     10.59877792    -11.18582880
  H     12.53712214      5.47577939    -13.69902209
  H     13.08059876     10.78966058    -10.53711515
          69
 Energy    -248.22754969098671     
  O     -2.75238084     -1.52015285     -0.26775254
  H     -1.95781531     -1.35183326     -0.79399156
  H     -0.34308988     -0.48388223      1.78000436
  O     -2.04152964      2.44874776      1.84250309
  H     -3.46273919     -1.00246462     -0.66769042
  H     -2.25318299     -3.02800015      0.76126940
  O     -1.34584074     -2.10847165      3.98232830
  H     -2.13184211      1.48865105      1.95772616
  H     -1.75147020     -3.22000258      2.20469047
  O      3.27740753     -2.62439435      0.55177101
  H     -1.30324780      2.59164017      1.23496730
  H      1.56317790     -0.44253260      4.47220446
  O     -0.44502911     -0.99230939     -1.81572597
  H     -0.95968387     -1.41947839      4.53837476
  H      1.63779735     -0.66262830      2.95042123
  O     -2.15834357      0.77074930     -3.03417291
  H     -0.68151040     -2.81249819      3.94433919
  H     -0.20135040     -3.33753830      0.35950850
  O     -4.53055785      0.28236578     -1.45802932
  H      2.39479646     -2.86713924      0.24010671
  H      0.24760574     -2.45070372     -0.84082312
  O     -1.59100568      3.39974910     -1.96176752
  H      3.32169934     -2.89991950      1.47486442
  H     -2.02585487     -0.92183212      2.80889250
  O      0.18352661      2.96441464      0.11088407
  H      0.25948678     -0.40543666     -1.50998609
  H     -2.44082244     -0.70910374      1.30816132
  O      4.12907648     -0.13380085     -0.09336447
  H     -1.00716218     -0.44888533     -2.38810406
  H      0.55324460      2.73201753      3.51901653
  O      1.48793547      0.66329654     -0.61895227
  H     -1.93297044      1.66856914     -2.76144830
  H     -0.94921989      2.45920571      3.38518763
  O      0.57471283     -0.68340574      1.55767932
  H     -3.02575283      0.59124098     -2.65132988
  H      3.90006763     -3.38116603      3.93570501
  O     -1.71795006     -3.60644086      1.32398398
  H     -4.35275367      1.12877624     -1.00965179
  H      2.89852754     -2.25488387      3.57944547
  O      2.17699325     -0.65407176      3.75943965
  H     -5.45207844      0.28741691     -1.70180144
  H      1.44637447     -3.89556941      3.47671416
  O      0.57192905     -2.96533875     -0.08859405
  H     -1.37946326      4.19291221     -2.44820668
  H      0.27339969     -4.62943842      2.80094832
  O     -2.13352925     -0.26210243      2.10946491
  H     -0.93375553      3.32698758     -1.25045477
  H     -0.11456555      0.86538904      4.89964989
  O     -0.19541799      2.33135302      3.97527689
  H      0.73863121      3.28663990      0.83201677
  H     -0.16164271      0.22362983      6.30498829
  O      3.17742778     -3.15945139      3.35368230
  H      0.64428686      2.19124732     -0.24797641
  H      3.19563217      0.67367572      2.89940113
  O      0.51258743     -4.12242240      3.57730158
  H      3.86340570     -1.04671273      0.12004376
  H      3.81514649      0.87612058      1.49766417
  O     -0.01828832      0.02469715      5.38340116
  H      4.94235955     -0.19375189     -0.58703055
  H     -3.17477370      3.02141732     -0.95286628
  O      3.53909603      1.34417920      2.29468531
  H      1.17590949      0.26876180      0.21261715
  H     -3.37949499      2.64402966      0.51916208
  O     -3.82040537      2.64723493     -0.34040815
  H      2.43663768      0.49474492     -0.63932973
  H      2.35241190      4.24174902      2.58862740
  O      1.86081565      3.47029063      2.31870916
  H      0.58504933     -1.52493488      1.08193324
  H      2.49528057      2.73208218      2.28588562
          69
 Energy    -248.22754421492391     
  O     11.57406118     10.29233309    -11.49735063
  H     11.23467292     11.18234033    -11.54673013
  H     15.27400588      7.37298881    -13.97440397
  O     10.50523458      4.52574898    -10.62520364
  H     11.75083034     10.00747090    -12.41263362
  H     13.90335572      6.36940069    -12.95866333
  O     17.32837167      5.33480358    -12.50785960
  H      9.97851430      5.01828632    -11.26737629
  H     12.36644060      6.61057842    -12.96670479
  O     15.05543520      3.10532627    -10.86193366
  H     11.18100256      4.04951326    -11.12143549
  H     10.43937258      7.68531405     -9.79292365
  O     16.84704186      9.95287280    -10.26357807
  H     17.30553269      4.39989411    -12.74228797
  H     10.54597316      8.89930177    -10.76292990
  O     11.21184497      6.29552428     -8.68704417
  H     16.90271984      5.42205467    -11.64104811
  H     18.47050108      6.78209087    -12.35051784
  O     15.04352974      9.08299723    -13.41623687
  H     15.69412558      2.82467535    -11.52798796
  H     18.74628158      7.62754539    -11.10268317
  O     11.66509155      4.19219473    -14.87222188
  H     15.44438839      3.87580041    -10.42971173
  H     12.90467901      6.69744520     -9.29083459
  O     17.98793110      7.67774176     -9.31921750
  H     17.17161464     10.09650753    -11.16039308
  H     13.43137199      6.70662178    -10.74974801
  O     14.54270400      3.75355806    -14.49443046
  H     15.88427465      9.89598055    -10.33999259
  H     17.11453953      1.90322039    -13.60699214
  O     12.71822731      3.63512121    -12.20739334
  H     10.88857220      6.02056719     -7.83340990
  H     15.99056550      2.95370858    -13.76581730
  O     15.31350582      6.41061057    -14.06322738
  H     10.95679670      5.60150014     -9.32187489
  H     16.80645184      6.26398478     -9.67089885
  O     13.10752692      6.33957944    -12.41024368
  H     14.72763813      9.16155232    -12.50474509
  H     15.28711178      6.07110708     -9.87919309
  O      9.98391419      8.16128145    -10.49734733
  H     15.94226387      9.43674722    -13.41353152
  H     18.17159708      9.06437813    -12.74679463
  O     18.86674049      7.61473616    -12.06008880
  H     12.54516491      4.03224993    -15.22839645
  H     18.35046382     10.41652624    -13.47680983
  O     13.67868121      6.89852700     -9.82957458
  H     11.69708230      3.80835270    -13.98746351
  H      9.32159679      7.06314264    -11.64728068
  O     16.72414713      2.66933751    -13.19477739
  H     18.49043254      7.86090119     -8.52980359
  H      8.10483376      6.40074355    -12.34344959
  O     16.14652180      5.64593150    -10.01116159
  H     17.56082229      8.51387917     -9.57964192
  H     13.28106873      9.84204494    -10.90596386
  O     17.71100215      9.87910637    -13.01729940
  H     13.93400607      3.64501316    -13.75119219
  H     14.00965759      8.60191006    -10.32473518
  O      9.05609481      6.37333924    -12.28347859
  H     14.78533953      4.69147711    -14.51334746
  H     13.18318395      9.28628224    -14.00028707
  O     14.15264360      9.45865670    -10.75135486
  H     12.80830870      4.60154253    -12.23926494
  H     11.82259515      8.55840895    -14.21693571
  O     12.22549712      9.39995566    -13.96593830
  H     13.44631805      3.31965849    -11.65044482
  H     10.27551691      6.71612523    -13.62226910
  O     11.04910485      6.82932676    -14.19123153
  H     16.08435958      6.10751267    -13.56119177
  H     11.21930428      5.96744507    -14.59740088
          69
 Energy    -248.22747841295660     
  O     11.38306846      8.58717040    -14.66313282
  H     11.57935267      9.52632862    -14.76158155
  H     14.28614051     10.38609040    -17.43803012
  O     15.86150946     12.02589215    -11.85998991
  H     11.98253028      8.12746069    -15.26583904
  H     15.62275625      9.48417440    -14.81419398
  O     16.71853558     10.71241044    -15.63534272
  H     16.02296640     11.87322126    -10.91978568
  H     14.60528451      9.31187252    -13.66733833
  O     14.45120285      4.91548897    -15.20240969
  H     16.66327940     11.75631322    -12.32295112
  H     11.33561663      7.70198929    -13.16448106
  O     14.44760309      9.51633283     -8.46114087
  H     17.08392613     10.00191417    -16.18580460
  H     10.49029381      6.84143762    -12.19711171
  O     15.37633012      7.29064692    -11.08587785
  H     17.29799396     10.84481656    -14.87582386
  H     18.08393164      9.00043539    -10.22389958
  O     13.71820255     10.58654601    -12.68257273
  H     14.31559141      3.98091770    -15.32664458
  H     17.55737380     10.05512279     -9.22472618
  O     17.20980905      8.45885129    -17.13478130
  H     14.19641560      5.11983834    -14.28206301
  H     14.41126373      6.11261133    -12.17032971
  O     16.31102325      7.32031392     -8.42380690
  H     14.97069282      8.72039072     -8.30640141
  H     12.92234599      6.09920832    -12.58526907
  O     16.68681596      6.63122722    -14.98561304
  H     13.82982399      9.29646631     -9.17232632
  H     17.98516456     10.03445023    -12.78510619
  O     18.98584308      6.55802662    -13.47305216
  H     14.59502042      7.85453464    -10.99268550
  H     19.02835300     11.15084515    -13.02218535
  O     14.23699051     11.12433388    -16.82024163
  H     15.69368487      7.12484299    -10.18884490
  H     18.27411595      7.80567526    -12.41793151
  O     15.10459137      8.82432138    -14.33303458
  H     14.43184754     11.19221143    -12.42823768
  H     16.88397927      8.11087804    -11.78020218
  O     11.37177731      7.17203298    -12.34820170
  H     13.21230765     10.97154729    -13.40707337
  H     15.55834072     10.80635115     -8.86254399
  O     18.05002525      9.22653774     -9.28399192
  H     17.11447184      7.73030027    -16.50814907
  H     16.25617494     12.11752151     -8.43672610
  O     13.76635409      5.65278696    -12.72355295
  H     16.38863016      8.48441761    -17.64224841
  H     14.18018969      8.37820950    -19.10903936
  O     18.12617547     10.90046812    -13.20537120
  H     16.67779837      6.72681534     -7.77479600
  H     14.11287896      8.16504894    -17.57875679
  O     17.75048715      8.49125396    -11.97872054
  H     17.00896510      7.96308729     -8.64566127
  H     13.22293215      9.51100033    -11.40724857
  O     16.25439065     11.44131852     -9.10957600
  H     16.04406043      5.92560899    -15.12184446
  H     12.37866973      8.23299896    -11.17760502
  O     14.56015961      8.66503064    -18.28251862
  H     16.19170662      7.37468850    -14.60879627
  H     11.74441355     12.08179592    -15.15806121
  O     13.04414433      8.79983449    -10.77127273
  H     18.21352110      6.49388144    -14.05939835
  H     12.95212984     11.25858523    -15.66102126
  O     12.26153140     11.30180019    -14.97556187
  H     19.74357366      6.33939072    -14.00916215
  H     14.01427161      7.94356999    -15.45949018
  O     13.49896372      7.41157763    -16.08812127
  H     15.11857949     11.18509707    -16.42550815
  H     13.71918204      6.49025784    -15.90462321
          69
 Energy    -248.22745580484090     
  O     12.09906674     12.50713086    -13.22063919
  H     12.90474373     12.67697010    -13.73921566
  H     16.43338188      5.60862954    -13.12934962
  O     18.98871923      8.93196644    -12.83045235
  H     11.67338071     13.34987665    -13.08619192
  H     13.34280331      9.43088842    -17.50551337
  O     15.77074287     10.35196523    -11.86723976
  H     18.70717166      8.64172713    -13.70582222
  H     12.39513179     10.33000814    -16.65800127
  O     11.39611971     10.42588129    -15.14578788
  H     18.75259191      9.86185186    -12.73565686
  H     15.94971189     10.27180839    -15.27048380
  O     13.99724497      7.61953110    -14.74371639
  H     15.65925163     10.18786252    -12.81766898
  H     14.93447942      9.20994041    -14.71867824
  O     14.71260500      6.07782352    -12.55099075
  H     16.58602040     10.85982559    -11.78977556
  H     13.96616703     11.71505302    -17.54461186
  O     18.48773966      6.97868107    -11.04014142
  H     11.36365073      9.66522676    -14.55177769
  H     14.35063596     13.00905702    -18.30659258
  O     14.36016064     12.64997678    -14.72537763
  H     11.51055935     11.18769961    -14.56717502
  H     12.97945814      8.96498411    -10.26623915
  O     18.26562374      7.43464532    -15.20111217
  H     14.38005158      7.01896128    -14.09178137
  H     14.11291778      7.97168498     -9.95417844
  O     15.83921422      7.83546703    -10.70265348
  H     13.18454886      7.95180771    -14.33709430
  H     16.29668405     13.05800143    -14.39552799
  O     16.90309474     11.18455242    -16.63892706
  H     13.81406182      5.91670296    -12.24102646
  H     17.33551086     12.33048609    -15.24709861
  O     17.37600182      5.65735671    -13.33415935
  H     15.10670422      6.69334233    -11.91392839
  H     18.82853846     12.22267735    -11.80287286
  O     13.00114384     10.32615778    -17.41398808
  H     19.25591099      6.78997660    -10.50877690
  H     17.92609866     12.11660932    -13.05356836
  O     15.37038763     10.04908740    -14.53112931
  H     18.72917128      7.70780766    -11.64135720
  H     13.95124720     10.47562714    -11.59935973
  O     14.54704334     12.49965244    -17.52602871
  H     14.61871441     11.72404885    -14.59821649
  H     12.62713793     11.17545406    -12.00526703
  O     13.15824430      8.10258759     -9.86968751
  H     14.35023587     12.78264499    -15.68246985
  H     17.28348565      8.12623240    -16.63490445
  O     17.24108166     12.87427334    -14.45126705
  H     19.08289257      7.07436589    -15.54136057
  H     15.98656065      8.22031447    -17.48623380
  O     18.23738495     11.63549911    -12.26604384
  H     17.90574184      6.76364154    -14.59610610
  H     12.23776618      9.10088699    -12.62934836
  O     12.98740238     10.39886961    -11.55911264
  H     16.74909419      7.51667105    -10.66382378
  H     11.75217024      7.63091315    -12.68692427
  O     16.87312877      8.58460945    -17.38029255
  H     15.86936155      8.72297364    -11.08911227
  H     12.40496419      6.83740559    -10.80947683
  O     11.84589080      8.43387727    -13.21266952
  H     16.98766628     10.30927406    -17.04701280
  H     11.47150645      5.61955747    -11.01976254
  O     12.07341841      6.20365658    -11.47239891
  H     16.17149649     11.64045977    -17.07483354
  H     14.06666633      7.55817944    -16.49738473
  O     14.15823849      7.68444065    -17.45739808
  H     17.80431463      5.94760282    -12.51891668
  H     13.77408959      6.91726406    -17.87451525
          69
 Energy    -248.22731778651413     
  O     16.46913231      8.97382397     -9.55600206
  H     17.15533812      8.47743523     -9.09228696
  H     12.67562805      7.47313892    -13.04934929
  O     15.20943567      8.63711465    -14.29371865
  H     16.92062226      9.53340625    -10.20651507
  H     13.20012001      8.41640731    -16.74455030
  O     16.25260103      9.15773256    -17.90584624
  H     14.62146461      8.21525284    -13.65720879
  H     13.75744469      6.99443513    -16.88769463
  O     12.76617610     12.16869245    -15.11577891
  H     15.85288494      7.98425421    -14.59834996
  H     15.56813581     11.73641839    -13.49401125
  O     15.61940335      6.73760096    -11.03751946
  H     16.01957092      8.22208259    -17.91517731
  H     14.13943941     12.25979193    -13.81972656
  O     19.47939449      8.42310940    -11.18485464
  H     15.48579671      9.60783119    -17.52288602
  H     17.57972730     10.46218273    -14.72652903
  O     17.95805310      6.64405639    -12.67301253
  H     12.18032309     11.53928615    -14.65644388
  H     16.34588047      9.93786087    -13.97822426
  O     17.77761572     10.67385401    -11.31217472
  H     12.21589245     12.87857884    -15.43523517
  H     18.33233376      6.52319080     -9.06606309
  O     11.36440655     10.32094668    -13.72123399
  H     15.81947739      7.53562703    -10.52945480
  H     19.06184909      7.12595246     -7.84278708
  O     17.30108323      7.05431465    -15.27066991
  H     14.78219549      6.89733949    -11.49026663
  H     17.64153683      9.47585442    -16.89372350
  O     11.43790252      7.52566434    -14.43002646
  H     19.05990968      9.29316074    -11.22669003
  H     19.15454266      9.73607619    -16.68429757
  O     13.40342336      7.62569376    -12.43372120
  H     19.35688455      8.11878773    -10.27833501
  H     18.18555764      5.28979849    -10.96360315
  O     12.95297256      7.48311925    -16.67991051
  H     18.56093647      7.26895443    -12.24339835
  H     16.85167311      5.51468097    -10.27761196
  O     14.75918283     12.09069761    -13.09986013
  H     17.12563597      6.68674709    -12.18292629
  H     14.43979273      9.57395714    -15.64621329
  O     17.00128374     10.65388416    -13.98058410
  H     17.60424829     10.65053419    -12.26319876
  H     13.63739050     10.82710024    -16.09047610
  O     18.57417274      7.35782066     -8.62841142
  H     17.29208772     11.43857122    -10.97109071
  H     15.79634255      5.59307055    -17.75446216
  O     18.34567087      9.53241265    -16.22245097
  H     11.30606068      9.40117707    -14.00540637
  H     16.19808702      6.50524321    -16.57639010
  O     17.75235010      5.19965729    -10.10836267
  H     11.84029485     10.31417956    -12.87968958
  H     13.79959934     10.85615710    -12.11875448
  O     14.07150986     10.03245131    -16.41801646
  H     17.79814831      7.83134097    -15.55742228
  H     13.47223164     10.38794780    -10.67933044
  O     15.56242781      6.40124359    -17.30411770
  H     17.61635493      6.81350446    -14.38571259
  H     15.33753955     12.09277020     -9.94721689
  O     13.23617276     10.25924744    -11.60567665
  H     11.95894598      7.45578002    -15.24955001
  H     15.46894121     12.61123963    -11.39107654
  O     15.92287271     12.58022780    -10.53803704
  H     10.65567515      6.99513132    -14.55664732
  H     15.07920463      9.99684547     -9.13383271
  O     14.34075502     10.62509079     -9.05542510
  H     13.29988108      8.52129131    -12.07655266
  H     14.07403643     10.62623870     -8.13990150
          69
 Energy    -248.22727748187387     
  O     15.04869045      3.33960433    -10.40864234
  H     14.93356282      2.38926366    -10.53278510
  H     14.77110193      7.48643524    -15.75889271
  O     12.62422437      4.40769563    -11.28425477
  H     14.20639507      3.74693218    -10.65912192
  H     16.16382185      5.66279372    -16.96341898
  O     16.76585714      3.57554306    -12.57400680
  H     12.80164130      5.00720663    -12.02140575
  H     15.54437017      5.24329311    -15.61593320
  O     17.81607941      7.47939531    -14.44218672
  H     12.15307481      4.93377801    -10.62716906
  H     14.42127657      9.11946743     -9.24776920
  O     11.48708810      7.79324060    -11.92521536
  H     17.28977940      4.37706404    -12.44465237
  H     14.34602541     10.52956366     -8.61608412
  O     13.09874286      2.28641524    -13.16457027
  H     16.17585345      3.51614705    -11.80760430
  H     14.86351519      7.31429085    -10.97146986
  O     14.72260511      0.68058691    -11.37565436
  H     17.24642508      6.96808599    -15.02787747
  H     15.62031201      8.03992114    -12.13986998
  O     16.65260332      9.40257861    -12.85041198
  H     17.98568969      6.91555195    -13.67459789
  H     14.70747528      6.70736701     -8.95137811
  O     17.30823369      9.34197791    -10.14225900
  H     11.97712450      8.62926914    -11.87814206
  H     13.21123862      7.03359950     -9.29991877
  O     13.31054076      6.13078673    -13.42208594
  H     11.92529555      7.26216540    -12.59809192
  H     11.39073396      6.93948928    -10.44343724
  O     14.48535408     10.49125208    -14.24371483
  H     13.58457244      1.63616741    -12.64321240
  H     10.67841600      6.47104469     -9.14722273
  O     14.08621422      8.05207562    -15.38362905
  H     12.72520307      2.89660838    -12.51598158
  H     16.84363429      6.36616425    -11.97981567
  O     15.95429746      5.98462191    -16.08929281
  H     14.56972450     -0.18118290    -10.99708365
  H     18.15342616      6.27029829    -11.18105305
  O     14.65467856     10.05494612     -9.38403968
  H     15.54848348      0.62055033    -11.88636982
  H     14.15449633      3.34311342    -14.23067265
  O     15.23203501      7.20050925    -11.85627237
  H     17.11573304      8.83456451    -13.48519790
  H     15.54510986      3.89955003    -13.88543347
  O     14.10356810      7.39692996     -9.26978349
  H     15.99806849      9.91258708    -13.34179279
  H     17.57003363      0.56456885    -13.55415375
  O     11.48972955      6.39252319     -9.64055842
  H     16.47708253      9.68052977     -9.78911783
  H     17.07639401      1.81892146    -12.80885331
  O     17.75547551      6.03773551    -12.02823061
  H     17.24029184      9.45963509    -11.10027864
  H     16.78313199      5.83116906     -8.94555112
  O     14.79975358      4.01586450    -14.49244599
  H     13.73720327      5.39728899    -13.88442373
  H     15.76585880      4.68222522     -9.23241544
  O     17.02891443      0.84855825    -12.82240709
  H     14.00061676      6.55209535    -12.87984126
  H     17.97112679      7.80520884     -9.65024713
  O     15.91981435      5.47490286     -8.70337795
  H     14.32352486      9.65214358    -14.71073538
  H     19.07972819      7.04202553     -8.88925826
  O     18.31616160      6.91668548     -9.44604118
  H     14.32447377     11.19126198    -14.87056217
  H     13.53812117     10.30010615    -12.59396789
  O     13.05248669     10.05280357    -11.79838570
  H     13.60922943      7.47607532    -14.77445627
  H     13.64814869     10.17815576    -11.05121823
          69
 Energy    -248.22725480684034     
  O     15.16222018     11.31142203    -15.47973990
  H     15.80237054     10.97323076    -14.84363137
  H     14.13271554      5.16518432    -16.44447391
  O     13.18552454      6.27459035    -15.50868144
  H     15.61223924     11.31020626    -16.33358647
  H     19.38580867      6.19196013    -17.04679587
  O     18.14105941      7.51547227    -12.35325613
  H     13.41794178      6.10359786    -14.58376233
  H     18.71720263      5.47317441    -15.86355594
  O     18.75151298      6.78790489    -18.76845903
  H     13.06171493      7.22667084    -15.56752882
  H     18.68641759      8.45998352    -17.91312607
  O     16.06798626      6.31929945    -18.67731096
  H     18.97196256      7.42883794    -12.83896658
  H     17.85584006      8.64568477    -16.64058292
  O     14.56839934      8.45605488     -9.82895990
  H     17.69052658      8.28207557    -12.72646635
  H     15.87837499      7.91058746    -16.29314287
  O     14.11369135      6.10466700    -12.90601563
  H     19.09142360      6.47254804    -19.60131186
  H     16.73844521      6.83255076    -15.55715251
  O     16.89714185      9.67737491    -13.75397022
  H     17.79831054      6.58583944    -18.76179957
  H     13.52979966      9.01208939    -14.34032362
  O     17.02833844      5.01770069    -15.34406445
  H     15.53633292      7.10602720    -18.49509436
  H     13.85024596     10.03841705    -15.41260896
  O     13.81911697      5.85159927    -10.11042291
  H     15.64856983      5.61103350    -18.17490637
  H     16.74106502      5.54537730     -9.69620217
  O     19.42529246     10.00784491    -14.76749996
  H     14.22694231      7.54376803     -9.85027867
  H     16.80584290      4.09414384     -9.15853428
  O     14.73544314      4.53610457    -16.88116253
  H     14.11581772      8.90433548     -9.11913331
  H     21.28930102      7.15950836    -13.83083058
  O     19.52648662      5.93286035    -16.12957542
  H     14.99429939      5.71094967    -12.84793480
  H     20.11449418      6.88316430    -14.79765437
  O     18.40319633      9.12947688    -17.27887442
  H     14.23903041      7.06232027    -12.82977582
  H     17.22508170      5.94439109    -12.52378784
  O     16.58500397      7.78006611    -15.64889036
  H     17.78583746      9.99025123    -13.98027510
  H     16.64100436      4.76834249    -11.70320281
  O     13.38734691      9.19663423    -15.27650315
  H     16.69089789      8.98621739    -14.40816718
  H     16.37705277      7.77964167     -9.70577004
  O     16.41137760      4.63831099     -9.83440299
  H     16.89249036      4.87647774    -14.39715571
  H     17.62511985      7.42590755    -10.54760983
  O     20.38874394      7.40697776    -14.02370702
  H     16.24902885      4.70491037    -15.82032272
  H     16.63713384     11.45470049    -18.71999783
  O     16.71801687      5.12193498    -12.59757862
  H     14.59164754      5.30491603     -9.92121408
  H     17.19111261     10.32353382    -17.81979458
  O     17.17908244      7.24280729     -9.71000147
  H     13.71341561      5.82505219    -11.07145696
  H     15.28937094      9.25175770    -12.90203290
  O     16.40088980     10.85317955    -18.01872215
  H     19.24813422      9.87253493    -15.70718323
  H     14.46106326      8.85617489    -11.64987641
  O     14.45984326      8.84773249    -12.61592631
  H     19.87456884      9.20239633    -14.48079195
  H     15.19774099      9.39319168    -17.89103708
  O     14.74301066      8.57254853    -17.66019360
  H     14.21492203      3.76926372    -17.10468391
  H     14.12667936      8.78625803    -16.94678949
          69
 Energy    -248.22720318856227     
  O     16.15050657     11.50355076    -11.04437068
  H     17.03829907     11.50226529    -11.41946422
  H     17.35213812      7.37687297     -8.85600532
  O     12.47249052     10.46051762    -10.67880764
  H     15.60342935     10.92701803    -11.59696271
  H     18.69987719      8.13200918    -14.68853336
  O     14.33356765      7.95652530     -8.30218855
  H     13.12478546     10.14364253    -11.32013918
  H     18.59486434      6.66007841    -15.14345945
  O     16.29916024      5.92412104     -8.31773746
  H     12.77430528     11.35221492    -10.45221716
  H     19.15598288      8.72931491    -10.24517526
  O     12.43478348     10.00921649     -7.86641384
  H     14.94095511      7.21587709     -8.19513697
  H     19.97478567      8.24416677    -11.45863214
  O     13.83394626     12.79383052     -9.93377838
  H     14.88044175      8.74144440     -8.44722750
  H     14.05646968     12.34613383     -6.36554817
  O     15.12141906      9.36800762    -15.12282624
  H     16.46991039      5.23985715     -7.67645781
  H     13.52061279     11.27489469     -7.34603005
  O     17.26393690      5.30468993    -15.17814347
  H     16.04129806      5.47798587     -9.14469123
  H     12.35009565      8.50925796    -10.62861110
  O     14.53165997      9.66379658    -12.39184344
  H     12.91827370      9.17503939     -7.81410441
  H     13.23392602      7.63279240     -9.73657470
  O     16.57527768      7.87897590    -11.80269968
  H     12.30426814     10.16347469     -8.81260511
  H     18.02867387     10.14683358    -13.48373325
  O     17.73281091      5.35645769    -12.40659186
  H     13.97420141     12.67758022     -8.98624066
  H     17.26858237      8.84172741    -13.18058351
  O     17.72039579      8.18143852     -9.24174906
  H     14.67410170     12.56076823    -10.34904034
  H     19.98642251      6.92661729    -13.38846819
  O     19.22664957      7.35064548    -14.90490908
  H     16.04000211      9.45218329    -14.81337960
  H     21.12402923      6.28625132    -12.55577895
  O     19.74338950      9.03144104    -10.95199894
  H     15.04199414      9.89718729    -15.91207468
  H     14.87146299      7.48916758    -14.84607487
  O     14.23537043     11.92147844     -7.19954388
  H     17.13406226      4.60790883    -15.81520906
  H     14.43658562      6.36380513    -13.86129976
  O     12.65678722      7.60351717    -10.51223559
  H     16.39880028      5.73593331    -15.04956531
  H     12.79386479      5.21638005    -12.47365698
  O     17.58202160      9.40385247    -13.90672758
  H     14.54464750      9.66263745    -13.35557825
  H     13.19594705      6.49182658    -11.70625217
  O     20.25238883      6.66768327    -12.48770744
  H     15.08836187      8.92361769    -12.10874893
  H     16.41717520      4.80780734    -11.25449675
  O     14.94478498      6.54606286    -14.66224493
  H     16.95974485      8.03910270    -10.93149093
  H     14.90194737      5.09519681    -11.20782186
  O     13.52333428      5.81390553    -12.32424641
  H     16.80949759      6.97404457    -12.03963094
  H     19.16426307     10.47979080    -11.70045507
  O     15.64276744      4.78203019    -10.67526986
  H     18.62319247      5.71547986    -12.30554076
  H     19.42833563     11.92448634    -12.19143032
  O     18.76410028     11.24147329    -12.15955510
  H     17.59427477      5.21951958    -13.35303878
  H     15.53151913     10.82555567     -7.98323669
  O     16.01245505     10.23268110     -8.57350190
  H     17.22388242      8.92894382     -8.87721143
  H     16.06794392     10.68708292     -9.42644885
          69
 Energy    -248.22704273037195     
  O     12.01786994     13.23317044    -12.06396617
  H     11.19978846     13.68301315    -11.87138342
  H     12.12773572      9.48625099    -14.32464930
  O     20.07440902      7.83671206    -11.97963919
  H     11.92945155     12.32693873    -11.71855348
  H     15.19120040     10.01325691    -13.20451172
  O     17.90960599     11.76920921    -12.51296175
  H     20.35766935      8.16452614    -12.85023557
  H     14.77990871     11.50884254    -13.40726163
  O     12.61280933      7.53632807    -11.03593199
  H     20.82619349      7.38957361    -11.59879265
  H     13.56793031     10.25413102    -16.15597853
  O     15.40619919      7.10369095    -11.12974973
  H     17.77976054     12.71106150    -12.35725193
  H     12.15293344     10.49210669    -16.72720304
  O     17.66117310      6.63855128    -12.95669718
  H     17.01931944     11.41768313    -12.68135925
  H     17.21138514      9.26520562     -9.70146866
  O     13.58480253     12.60091595    -14.29839037
  H     12.32027618      7.77201913    -11.92595596
  H     16.66706690      8.77816296     -8.33501808
  O     17.08295568      8.21380217    -15.15654391
  H     12.30968688      8.26906014    -10.49610744
  H     20.84453076      8.28802500    -15.27773155
  O     18.54523995      9.79678111    -10.62020111
  H     15.76307695      7.69061081    -10.45057420
  H     20.06948030      9.46822552    -14.67238634
  O     15.25388696      9.95871764    -16.54819757
  H     14.44588236      7.09448318    -11.00492153
  H     15.09694277     13.53001332    -14.74305735
  O     17.12457907     12.12267825    -16.63053532
  H     18.46281180      6.96930630    -12.53352349
  H     16.34026959     14.10180590    -14.02895883
  O     12.24345656      9.00230034    -13.50080722
  H     16.97854137      6.62001222    -12.27617834
  H     17.18977517     15.20948141    -11.85486461
  O     15.36576654     10.91905232    -12.91783930
  H     12.96299223     12.86600384    -13.60871445
  H     16.07317596     14.15188559    -11.71250226
  O     12.65759261     10.50830207    -15.91815171
  H     13.15163030     11.95451116    -14.87062037
  H     14.69113647     12.77255793    -10.45444857
  O     16.41318883      8.95058253     -9.23748190
  H     17.64285118      8.99163089    -15.03503353
  H     13.74045741     13.68160578    -11.24146458
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  H     18.50771325     11.01145222    -14.03777665
  O     15.99734562     13.85087969    -14.89424382
  H     19.10905224      9.15600631    -11.06985740
  H     18.24021668     11.10408593    -15.55855382
  O     16.87596551     14.38322110    -12.21262953
  H     18.41363101     10.53265211    -11.23203046
  H     12.10448919     10.10073232    -11.99530930
  O     14.62318596     13.64926619    -10.85623994
  H     15.84297994     10.71830852    -16.63693384
  H     12.92016751     10.66777787    -10.79225325
  O     18.67140992     10.56740986    -14.88223819
  H     15.80741969      9.23774149    -16.22635002
  H     15.21207442     10.25882460     -9.80284308
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  H     16.74904529     12.77547197    -16.01220714
  H     14.93841354     10.88781947    -11.19305479
  O     14.65481603     10.89470643    -10.26465817
  H     17.35735191     12.59843847    -17.42337567
  H     15.09695911      7.86008813    -12.72495714
  O     14.85392857      8.30267390    -13.55011181
  H     13.16000884      8.68286561    -13.54522046
  H     15.58650362      8.19299431    -14.16897181
          69
 Energy    -248.22695236951461     
  O     10.40693515     11.12118181    -12.73964384
  H      9.67153678     11.57952888    -12.34243007
  H     17.58995302      7.34760092    -15.91061498
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  H     11.00743752      8.03946560    -11.84723937
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  H     19.10378437     10.75688123    -16.31349552
  H     16.07631141      6.99138498    -13.06910832
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  H      9.49776580      7.24655065    -15.55050979
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  H     17.81557080      8.68329163    -10.67851734
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  H     13.78171091     10.38129263    -11.74446913
  H     18.90788237      7.37937288    -12.35943967
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  H     13.53163742      8.91109166    -11.26918463
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  H     16.25126877     12.89009195    -16.76198652
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  H     14.83836031      3.72147678    -14.58857969
  H     12.74491554      7.05191445    -12.43743146
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  H     18.13840805     10.72038155    -13.99199584
  H     13.39011901      6.85588801    -11.03673994
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  H     13.28734380     11.34422641    -13.91051052
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  H     15.48084488      7.22407678    -16.37023575
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  H     15.71230691      5.74199424    -16.09085093
  H     10.58376933     10.56874943    -14.57798464
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  H     18.57161979      7.46554601    -14.71380157
  H     11.66425253     10.48783721    -15.67036344
          69
 Energy    -248.22670450187090     
  O     -7.87422813      1.57027016     -0.70864339
  H     -7.27073024      2.07162472     -1.27863540
  H      0.03576853      3.17184503      1.25250330
  O     -4.22662034      1.22624480     -3.68649078
  H     -7.90637279      0.66879375     -1.04687698
  H     -3.24639255      3.78299851     -0.41672344
  O     -6.98383912      1.52906418      1.79823333
  H     -4.52073376      0.99583687     -4.56436020
  H     -2.04551936      3.09103307      0.33663711
  O     -3.28203246     -0.15707219      2.62057283
  H     -4.51679738      0.50958361     -3.09541683
  H      1.15740117      0.28962500      1.46321044
  O     -0.94861583     -0.79292848     -1.02229552
  H     -7.39545522      1.59549166      0.91482847
  H      2.02645324      1.44904614      0.94134195
  O     -5.00744741     -0.59868276     -1.81054900
  H     -7.68880805      1.57363335      2.43984871
  H      2.26984138      3.93353978      0.13496597
  O     -4.36173802     -2.66356508      1.92436721
  H     -3.60665746     -1.06468931      2.61906431
  H      1.41274815      2.87719881     -0.60145972
  O     -3.22332900     -2.36314071     -0.51345053
  H     -3.64373116      0.23568945      1.81077287
  H     -7.42331238     -1.38705210     -0.30663831
  O     -1.71932678      1.49185238     -2.43740258
  H     -0.00863029     -0.89563379     -1.21662082
  H     -8.32185727     -1.90541373     -1.45663262
  O     -0.71198617      0.11046942      1.61337721
  H     -1.26021108     -0.04215957     -1.54752001
  H     -2.29067299      2.86788843      2.85667026
  O      1.84600844     -0.64366725     -1.37325028
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  H     -5.92694209     -0.88342635     -1.73900100
  H     -6.01651031     -1.83452858      1.58889256
  O     -2.67702533      3.00421720     -0.39072929
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  H     -6.76392878     -0.47860224      1.64027199
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  H     -5.22102382      1.36881201      0.81853807
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  H     -2.37027649     -1.94021305     -0.67672125
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  H     -3.85233111     -1.89175889     -1.07451563
  H     -4.95846389      4.58555959      0.46942552
  O     -3.14405879      2.65697782      3.25580951
  H     -2.47595026      1.39867653     -3.02690950
  H     -4.81696775      5.84231231     -0.42574464
  O     -6.83701424     -1.39012516      1.33933832
  H     -2.01607746      2.07883597     -1.72415770
  H     -5.54103252      3.67513317     -1.65864587
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  H     -1.52901550     -0.08444361      2.08965371
  H     -5.33612433      2.53682074     -2.69090859
  O     -4.69475474      4.89725212     -0.41646312
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  H      2.57617078     -1.21826958     -1.58502305
  H     -4.54089420      3.49092044      2.48759289
  O     -5.29333962      3.83870525      1.98381969
  H      2.00725417     -0.29985661     -0.47593213
  H      0.10698890      1.91591289     -2.34443509
  O      1.03188029      2.01974842     -2.08489742
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  H      1.38268037      1.12445868     -2.00138336
          69
 Energy    -248.22663848726671     
  O     14.05896971      3.94232673    -15.86100129
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  H     19.37019395      7.63882170    -16.78499201
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  H     20.67424013      6.00345330    -18.34511433
  H     15.28056812      4.56064374     -8.93499138
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  H     12.16234401      5.66493706    -18.25597142
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  H     16.33592852      4.72432409    -11.31626868
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  H     12.82170464      6.46952263    -10.93112811
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  O     12.89559701      5.78545203    -17.65930813
  H     13.22267700      5.31797421    -11.87001071
  H     15.36176481      7.70637914    -17.98162658
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  H     16.54280655     10.15819645    -15.47488863
  H     14.65518477      6.33545537    -17.87777320
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  H     13.35210614      8.18290575    -12.92976864
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  H     13.89187989      6.99979817    -13.76463485
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  H     14.70638753     10.12341041    -18.62117692
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  H     18.10905581      7.68858768    -15.90219956
  H     15.59012111      9.81600406    -17.39045555
          69
 Energy    -248.22661787347866     
  O     12.03817514      7.36895190    -12.18632751
  H     12.02531500      7.31632068    -13.14943778
  H     18.02613211      6.44640037    -15.92363356
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  H     14.82943360      9.24791868    -16.28378706
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  H     11.70535851      7.75882944    -10.25573151
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  H     12.35618349      7.18360621     -8.98432068
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  H     14.46068130      5.46133397    -11.56636163
  H     14.57588158      6.43754931     -8.75907878
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  H     13.96676828      5.52108355     -7.67413639
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  H     18.46058212      9.86410788    -15.10694237
  O     15.51313550      8.64428863    -13.31441034
  H     16.66663276      7.96109937     -9.37820432
  H     19.38770624      5.28827447    -12.68450089
  O     11.86397596      7.94243539     -9.32170802
  H     14.90433376     11.94596375    -13.63738120
  H     18.78021981      6.25568027    -13.72953797
  O     19.12828979      8.60548888    -11.66972055
  H     13.69610555     11.06517220    -13.31462836
  H     16.59826096     13.38466930    -12.36358494
  O     13.78785671      5.92186723     -8.52098415
  H     13.95368976      6.09453051    -14.83473973
  H     16.34021735     12.04931086    -11.63094914
  O     18.78326465      9.54672884    -15.96745842
  H     15.14479862      5.68129333    -13.93953624
  H     13.19759285      9.19185548     -9.17472713
  O     18.76360757      6.00150931    -12.78822362
  H     18.50414203      8.96368634    -10.11932202
  H     14.69196461      8.89381124     -9.37927829
  O     16.46027749     12.45253505    -12.50978747
  H     18.73240697      9.28885429     -8.62099369
  H     12.83993609      8.98887009    -12.07718228
  O     14.05820009      9.61940538     -9.29778360
  H     16.38938089      5.32279904    -17.54836203
  H     13.59128336      9.87284770    -11.05322594
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  H     15.87617497      5.85357554    -16.18852055
  H     12.97002282      8.02278143    -15.26935007
  O     12.44452269      7.24977414    -14.99679564
  H     18.86123939      7.69999691    -15.59282007
  H     11.76360773      7.13589901    -15.65533337
          69
 Energy    -248.22661051913576     
  O     -3.52112728      0.00276143     -1.76223935
  H     -3.91928787      0.11471612     -2.62190396
  H     -1.11976496     -3.66500768      1.00906674
  O     -2.17625842     -0.94877805      1.75688914
  H     -3.63316695     -0.93559075     -1.52530468
  H      0.33209673     -0.71682995      4.03698951
  O     -5.47211525     -3.57466521      0.98823449
  H     -1.87952580     -1.68823072      1.21295727
  H      1.50445877      0.01028226      3.35205538
  O      1.52169894     -3.35760272      5.07313905
  H     -3.14231137     -0.95761804      1.76137242
  H     -3.88669344     -4.66632309      3.61194251
  O     -3.74307460     -2.59368274     -1.04392350
  H     -6.25583275     -4.10916272      0.89452343
  H     -2.82371313     -4.90134498      2.52514252
  O      1.99259939     -2.48212233      1.57105874
  H     -4.86406203     -4.06731066      1.56865369
  H     -4.33695891     -2.31737752      5.00782992
  O     -3.77861284     -4.10274129      5.42359445
  H      1.75107179     -3.96826406      4.36236966
  H     -3.49031400     -1.06797153      4.73501308
  O     -4.97098422     -1.01900672      2.04424147
  H      1.61773826     -2.46997694      4.70107146
  H     -1.66464386      0.24812429     -1.51821375
  O     -0.93497011      1.48555671      1.26500639
  H     -4.40932434     -2.96297762     -0.45318348
  H     -0.72589653      0.90110426     -0.48899709
  O      0.84679668     -1.80902857     -0.93865339
  H     -2.89074706     -2.88318242     -0.68836656
  H      2.20224174      1.99087316      1.81027751
  O     -1.55571577     -0.62919556      4.37760801
  H      1.66972865     -2.14582920      0.72808488
  H      0.73042504      1.57074464      1.96773502
  O     -1.34193779     -3.12320277      0.23992651
  H      1.71441142     -1.85907307      2.25577449
  H     -3.77030621      1.70641233      4.97086823
  O      1.24125619     -0.83735567      3.74024522
  H     -2.82968604     -3.88501344      5.41563926
  H     -2.98501710      2.22304931      3.75731850
  O     -3.77593488     -4.84203105      2.66947203
  H     -3.93761233     -4.60790688      6.21674668
  H      1.95479095     -4.07272660      2.20848477
  O     -4.39515665     -1.39810197      4.71832612
  H     -5.24388393     -1.86716479      1.67315307
  H      2.54584299     -5.49430283      2.39200462
  O     -0.73352247      0.36019298     -1.28950412
  H     -4.89835196     -1.13262980      3.00303841
  H     -4.22365369      0.92630351     -0.25875120
  O      1.60562509      1.51665929      2.38368056
  H     -1.59798797      2.14129296      1.50929856
  H     -4.87422988      0.53200453      1.08362340
  O     -2.89136482      1.75018498      4.59676071
  H     -1.35005469      0.62100763      1.40844837
  H     -0.02505136     -4.85401152      2.58550843
  O      1.82955173     -4.92756550      2.66282551
  H      0.31344255     -1.00956539     -1.09428906
  H     -1.05681832     -4.07620936      3.42389598
  O     -4.58001574      1.29106610      0.56028336
  H      1.30747126     -1.99152888     -1.75347077
  H     -1.33702357     -2.32718402      4.96393915
  O     -0.94427556     -4.55746564      2.59344969
  H     -1.73673533     -0.80493996      3.43939775
  H     -0.25433775     -3.39491236      5.26953343
  O     -1.20405870     -3.27168208      5.12465135
  H     -1.86973833      0.26830224      4.55773455
  H     -3.42070206      3.89930170      1.88025695
  O     -3.16692729      3.00147615      2.07528229
  H     -0.52534816     -2.80855053     -0.16712999
  H     -3.72004364      2.42230455      1.51830382
          69
 Energy    -248.22653260415771     
  O     11.72861450      9.17908780    -16.11114742
  H     11.32302857      8.90981969    -15.27841392
  H     15.71297980     11.89014339    -16.11436715
  O     16.08719784      7.38843353    -12.61725413
  H     11.88771287     10.12996748    -16.06101226
  H     15.44464269      8.64672764    -13.75446047
  O     16.64835579     11.61889034    -14.54484798
  H     16.63079284      7.97415733    -12.07478343
  H     14.71847220      8.86262579    -15.11290443
  O     14.31280293      5.38501674    -15.68007102
  H     15.27646835      7.19259768    -12.12930662
  H      9.76099003      7.71257414    -13.68966448
  O     13.86966214      9.91525857     -9.46723667
  H     16.31139884     12.16195550    -13.81683792
  H     11.24376843      7.27390742    -13.72094881
  O     13.68722523      6.97749053    -11.31534383
  H     16.15720571     10.78297628    -14.50670985
  H     17.54843418      8.08163709     -9.79946078
  O     13.28065496     11.18088752    -13.38077809
  H     14.30645557      4.52840771    -16.09853823
  H     18.10765598      6.88323112     -9.01953977
  O     14.65101684      7.26603273     -8.68881304
  H     15.23462882      5.56574005    -15.41996815
  H     13.06474550      5.75187286    -14.29433005
  O     18.19994313      8.25941783    -16.16861169
  H     13.17564825      9.78421841    -10.12549645
  H     12.90277172      6.15499967    -12.80474634
  O     16.80120378      6.08609796    -14.93001813
  H     14.07998910      9.04177104     -9.11553839
  H     15.66548850     12.35575415    -11.58630180
  O     18.57243097      9.79632530    -13.70398538
  H     13.94625041      6.93527921    -10.38708253
  H     14.56209567     12.35619558    -12.65749120
  O     15.12447028     11.73626094    -16.86770829
  H     13.20268474      7.80798931    -11.43469426
  H     17.16202012      9.97866724    -10.87642735
  O     15.06308230      9.31653112    -14.33542152
  H     12.90962167     11.55482941    -14.18845199
  H     18.07894412      9.43431668    -12.02593060
  O     10.65339285      8.04924958    -13.69293462
  H     13.90534965     10.49812858    -13.67440765
  H     16.39714833     11.77430079     -9.31084291
  O     17.34750089      7.45609882     -9.08464893
  H     14.48010607      6.85075334     -7.84756929
  H     15.29396099     10.83833047     -9.85597815
  O     12.41626905      5.99887004    -13.62542308
  H     15.61747306      7.30941426     -8.79117714
  H     15.40145785      8.75045179    -17.50795512
  O     15.38697253     12.79109301    -12.40093812
  H     19.00579182      8.21362025    -16.67970532
  H     16.12288237      9.09849807    -18.83092935
  O     17.64349446      9.20240263    -11.19156789
  H     17.53342947      8.65983829    -16.74712902
  H     11.53062789      8.91174919    -12.25814722
  O     16.12483132     11.29003900    -10.08669525
  H     17.32725052      6.74882034    -15.39138456
  H     12.54761608     10.05821616    -12.21011212
  O     16.17041773      9.21529072    -17.88502393
  H     16.63386183      6.45227273    -14.04826139
  H     13.45274360     11.86829301    -16.34741407
  O     12.19178450      9.32315892    -11.68797386
  H     18.51425170      9.19817193    -14.45631903
  H     12.14937312     12.69829920    -16.36347476
  O     12.54538721     11.91266525    -15.99610886
  H     18.06999705     10.57833972    -13.97438197
  H     14.09092565      7.07259009    -16.39188721
  O     14.09971513      8.00132534    -16.65179574
  H     15.48381154     10.96066764    -17.31050327
  H     13.20734046      8.36460923    -16.53802152
          69
 Energy    -248.22640227072429     
  O     11.47795873     10.54599687    -11.79714349
  H     12.09057122     11.05595930    -12.34172174
  H     15.43129488      6.74100573    -17.26481655
  O     13.70530506      7.38254075    -14.76291530
  H     10.84548847     10.15445983    -12.41074540
  H     18.28068202      5.00603062    -16.00496007
  O     18.02408188     10.45926676    -10.58945649
  H     13.39353969      7.03636095    -13.91660512
  H     16.94332699      5.77726197    -15.90548693
  O     18.07546814      8.38303090    -16.75694284
  H     13.14780913      8.14133665    -14.98164104
  H     16.15412089     11.65058982    -15.46893433
  O     12.25728371      9.69832866    -15.17776254
  H     17.98056100      9.48636086    -10.52533147
  H     15.71552368     13.07047725    -15.89820528
  O     15.26741096      7.07768025     -9.48360546
  H     18.24995648     10.78451985     -9.72239998
  H     16.42309157      9.22909491    -14.33772482
  O     12.91576545      6.56614102    -12.22395347
  H     17.32654282      8.33961610    -17.36678030
  H     15.18852159      8.25988318    -14.19795349
  O     15.42089209     10.36353471    -11.71311259
  H     18.11530924      7.52417789    -16.32136742
  H     16.77197969      7.19997406    -13.12313519
  O     15.70322970      8.27567262    -18.32907665
  H     12.70717314     10.30855458    -14.57462109
  H     17.55466775      6.02684745    -13.72706752
  O     15.17065899      5.05202320    -11.55403601
  H     11.37377321      9.55253040    -14.81925441
  H     11.15570159      6.57548783    -12.55955119
  O     17.43420251     10.50417150    -15.18777630
  H     15.16549401      6.30300077    -10.04937119
  H      9.74574417      6.02268554    -12.29938002
  O     15.36911812      6.07493183    -16.56843572
  H     14.53794443      7.66735361     -9.71230245
  H     18.81227354     10.74971551    -12.21947336
  O     17.85202824      5.72894041    -15.55438792
  H     13.61533349      5.94055584    -11.99982514
  H     20.10523865     10.55396924    -13.02297652
  O     15.38000965     12.22019887    -15.62614017
  H     13.05725440      7.36125645    -11.68705119
  H     16.93228575      7.57837706    -10.02361286
  O     15.95169842      8.63553224    -13.73964493
  H     15.62459318      9.70862923    -12.40094828
  H     17.77615102      7.24711909    -11.27146727
  O     17.19527304      6.35683732    -12.89511866
  H     16.24894826     10.54200313    -11.25636764
  H     13.37235648      9.98870628    -16.65740671
  O     10.21699349      6.70614443    -12.76900567
  H     15.13003427      8.96040626    -17.94097086
  H     14.56380371     10.94724997    -16.78428448
  O     19.19647940     10.83525586    -13.10456752
  H     15.59499431      8.33563583    -19.27447750
  H     12.58463668      9.37479655    -10.92356476
  O     17.75977286      7.79526193    -10.47927515
  H     15.90657588      5.45583123    -12.04424171
  H     14.12022852      9.35192950    -10.94863176
  O     14.14214913     10.18866579    -17.20521657
  H     15.39020793      4.13121172    -11.43782912
  H     14.23592238     11.19490695    -12.83610631
  O     13.34827270      8.82489923    -10.69779585
  H     18.09092623     10.65742723    -14.49343373
  H     14.15898842     11.88062110    -14.21434255
  O     13.61529053     11.49836031    -13.51422301
  H     17.77031344      9.82203775    -15.78891470
  H      8.94223499      9.36317923    -13.98134734
  O      9.86346478      9.21188181    -13.78698954
  H     14.71514788      6.41890592    -15.94428264
  H      9.93427894      8.30453765    -13.44351201
          69
 Energy    -248.22636524091217     
  O     -0.86409675      5.50058893      3.56013261
  H     -0.23839492      5.13059543      4.20045579
  H     -3.37890527     -1.49716417      3.97882709
  O     -1.21295456      3.52010348      1.67270101
  H     -1.39930072      6.12652085      4.04217593
  H     -1.28075868      0.04034110      2.33827741
  O      1.00586302      4.23679916      5.22783067
  H     -1.11422950      4.28624591      2.25345102
  H     -0.73705366     -1.43005682      2.41604292
  O      0.46030146     -3.89866790      0.97215906
  H     -0.33068600      3.23551837      1.39671049
  H     -3.45808504      0.42898473      3.12669960
  O      0.05960313     -0.70882672     -1.82762408
  H      1.60523583      4.60390259      5.87228079
  H     -4.24718729     -0.20213291      1.97208813
  O     -2.22703790     -1.51268580     -0.39246556
  H      1.55661173      3.87033136      4.51057382
  H      0.18106016      2.51415043      5.43957316
  O     -1.96964124      1.43748326      3.29810180
  H      0.15678456     -3.67796730      1.86045659
  H      0.65507472      1.16162421      4.85926754
  O     -4.32327814      0.27903481      0.07603110
  H     -0.33044188     -4.14639496      0.47138340
  H      0.17427113     -2.69467702      4.12249906
  O      0.00115407      1.99333437     -1.77985729
  H      0.75730294     -1.25217354     -1.44348722
  H     -1.36079140     -2.76477792      3.87101042
  O      2.05543113     -2.25744715     -0.45399458
  H     -0.77155655     -1.02799983     -1.45113985
  H     -2.19769901     -4.60483887     -1.30278909
  O     -0.96712770     -0.87431674      6.34321071
  H     -1.72314727     -1.24323835      0.39132391
  H     -2.09160034     -3.30762654     -0.48544608
  O     -2.93956569     -2.09699477      4.60683119
  H     -3.04141579     -0.99765642     -0.36335395
  H      2.48452688      2.10090429      3.55666899
  O     -0.85062207     -0.66393182      1.83692233
  H     -1.78441654      2.19543332      2.72690995
  H      2.10750616      3.00367602      2.36069735
  O     -4.07003451     -0.29231540      2.91442546
  H     -1.38196270      1.51424776      4.05985849
  H      0.80038731     -0.28902932      1.45617726
  O     -0.08036660      1.59479018      5.31841911
  H     -3.70575504      1.01304166     -0.09854428
  H      2.05234080     -0.81570284      0.72316089
  O     -0.49636647     -2.88925584      3.45573688
  H     -5.14852661      0.51574908     -0.33856662
  H      0.51981256     -1.65674735      5.89427323
  O     -1.88048720     -4.25545031     -0.47390491
  H      0.06265722      1.02212142     -1.82603659
  H      1.75162817     -2.56591159      6.13897218
  O      2.41406595      3.02261616      3.27574717
  H      0.16316926      2.31959806     -2.66108224
  H      2.02494902      0.06780047      3.10420657
  O      1.75305539     -0.13734230      1.33869819
  H      2.76160898     -2.76867482     -0.83874646
  H      1.96547258     -0.53281492      4.53321632
  O      1.30875097     -2.04598656      5.47373103
  H      1.50835923     -2.87870065      0.06149449
  H     -1.75345944      2.12716415     -0.98615257
  O      2.05941555      0.29421073      4.04568850
  H     -0.80038364      0.05031399      6.11419463
  H     -2.21830475      2.79848743      0.30688466
  O     -2.52753983      2.24669787     -0.42420859
  H     -1.71568496     -1.17141696      5.81198033
  H      1.49032819      1.60485222      0.91576402
  O      1.23219358      2.51627740      0.71386755
  H     -3.62790974     -2.63350469      4.99217100
  H      0.88776651      2.48169181     -0.18798163
          69
 Energy    -248.22617028045050     
  O     16.82818086     10.13244742     -9.51086368
  H     16.07818087     10.09736260    -10.12029641
  H     12.05566914      8.29805882     -4.38647585
  O     13.96056053      4.62342154     -6.78777022
  H     17.50522582      9.54840791     -9.88457529
  H     18.41753106      4.05270180    -12.66071082
  O     11.92578968      6.31418553     -7.24865490
  H     13.65710499      3.73107309     -6.64749794
  H     17.23266995      5.02365057    -12.53620181
  O     14.73021730      9.57202892    -11.21893745
  H     13.17137034      5.16662436     -6.97533887
  H     15.36395492      6.83047814     -8.43210424
  O     18.70160055      8.38725438    -10.56321435
  H     11.87973184      6.72854378     -8.12340390
  H     14.96821836      5.35770108     -8.14413907
  O     20.48241569      9.20767759     -8.53056417
  H     11.97833691      7.02504734     -6.60151627
  H     17.84035119     10.45524582     -4.17290555
  O     18.04078123      5.86538150     -9.61669656
  H     13.94529196      9.96324655    -10.81663362
  H     17.33846698      9.41912100     -5.20535520
  O     11.96691311      7.52787129     -9.73484827
  H     14.59316390      8.61323279    -11.18466127
  H     17.66091863      8.58631062    -12.12282778
  O     15.26722105     11.76880228     -6.14621542
  H     18.46398199      7.49595166    -10.26622762
  H     16.23467048      9.12274179    -12.39306119
  O     12.47013838     10.37721034     -9.71681692
  H     19.44262390      8.66906666    -10.01293656
  H     14.62434746      8.97333509     -7.59044458
  O     13.27301270     10.14136905     -7.11248387
  H     21.37332885      9.54354738     -8.48325254
  H     15.95402041      9.05958978     -8.38669676
  O     12.55701959      8.26697935     -5.19703740
  H     19.90326557      9.89139053     -8.15010995
  H     17.94206534     10.83884099     -8.20182405
  O     17.88391948      4.52175242    -12.02374107
  H     17.12925993      5.81718347     -9.29508412
  H     18.28455344     10.81156124     -6.68941192
  O     15.40932580      5.92795908     -8.78447939
  H     18.08401575      5.31075740    -10.40740308
  H     15.58848849      6.92158701     -5.02178498
  O     17.43555322     10.37144237     -5.03229215
  H     12.02642083      8.48825611     -9.78064319
  H     14.54486445      5.85640566     -5.43570566
  O     16.95656176      8.61591887    -12.78463983
  H     12.66070000      7.19529806    -10.31863636
  H     14.69548943      6.39311320    -10.37152545
  O     15.42189018      8.48402741     -7.82036326
  H     15.69651002     12.47025199     -6.63299491
  H     14.79441049      6.45342166    -11.92117516
  O     18.65436839     10.98429909     -7.56269621
  H     15.97976040     11.29355699     -5.69457421
  H     19.74009580      7.65209214     -7.63102963
  O     14.68718563      6.61648818     -4.85759167
  H     12.71718636     10.34202697     -8.77679020
  H     18.89774965      6.43000403     -8.03751966
  O     14.30787587      6.79459448    -11.16340608
  H     11.78168585     11.03281064     -9.79546682
  H     16.47958568      8.00997109     -6.47425463
  O     19.21663623      6.92656220     -7.27175605
  H     12.94523113      9.56928963     -6.40558691
  H     17.88172433      7.40924279     -6.18850854
  O     17.09458802      7.77792819     -5.76104171
  H     13.90890334     10.76502945     -6.73018032
  H     15.67654917      6.13002535    -14.25526040
  O     16.02097122      6.14752567    -13.36612729
  H     13.33469197      7.70652155     -5.02276944
  H     16.39963798      7.03529318    -13.22848619
          69
 Energy    -248.22612655806921     
  O     -1.41060853      4.48407160      2.64895103
  H     -1.70753699      5.33854271      2.98315562
  H      1.32903532      0.02120910      2.06307770
  O     -3.04407306      5.23080428     -1.14050658
  H     -0.79079285      4.69942585      1.93231955
  H     -0.33404948      1.91182256     -1.26765160
  O      3.48846156      6.68311517     -0.72322896
  H     -3.62376099      4.80868799     -1.78612869
  H     -0.58676895      2.10678374     -2.76270300
  O      1.46716104      7.93259992      0.80710611
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  H      0.89306425      8.39322612      0.18089530
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  H      3.21908028      4.81089935      4.42623881
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  H      1.99231745      4.19752243      3.71173206
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  H     -4.72517086      2.93532866     -2.18215303
  O     -0.31572644      8.85578940     -1.11894940
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  H     -5.25509320      3.65439376     -3.44498834
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  H     -0.01162205      5.19727491     -0.26112059
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  H     -2.52906506      1.04818820     -3.00722417
  O      1.28042712      6.95729253     -2.58792086
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  H     -0.09559864      3.45910043      3.44799822
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  H     -1.86950510      1.89369698      0.42421857
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  H     -0.83549836      7.24701141      3.28700184
  H      2.61261848      2.83174266      0.03203730
  O     -2.22707731      1.80343823     -3.52768701
  H     -2.20727674      7.76818742      3.77414549
  H      1.49107992      6.46197468      3.56103061
  O      0.73469237      3.01452965      3.66764308
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  H      1.19978631      7.61294649      2.57863436
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  H     -3.03723016      3.93485044      0.14240841
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  H     -0.64470977      9.69402183     -1.43161037
  H      1.93786230      4.68025947      0.75169855
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  H     -1.05799613      8.41502326     -0.66603464
  H     -4.37052311      2.24699185     -0.10830150
  O     -4.86475147      1.82319389     -0.82317996
  H      1.47602322      1.21735560      1.09140832
  H     -4.36257112      1.03240442     -1.05796870
          69
 Energy    -248.22600717277874     
  O     -6.80937008      7.66710996    -16.18133716
  H     -6.26143029      8.37945315    -16.52615387
  H     -0.65981245      8.86097961    -14.30844317
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  H     -7.42825251      9.91307000    -14.31988643
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  H     -4.99883153     12.76073815    -15.01399206
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  H     -5.52774671     11.33811739    -14.77003893
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  H     -5.30523477     15.22953525    -14.12220226
  H     -7.19148726     11.40896429    -11.29620708
  O     -3.21870256      7.89055817    -15.80650794
  H     -8.46482412      9.02435768    -11.78847390
  H     -6.76028292     10.11247884    -10.56979881
  O     -0.47983163      8.09263568    -12.53252230
  H     -8.32561999      7.50206989    -12.05697356
  H     -4.89554552     10.52802078    -16.54619009
  O     -4.43922537      8.74179359    -13.41916036
  H     -2.23150070     11.12808182    -13.56701403
  H     -4.92001583     10.02825266    -18.00503343
  O     -3.35575646      5.38466815    -14.74061085
  H     -3.07150861     11.69054483    -14.74142909
  H     -4.72198003      7.78472610    -11.96032922
  O     -5.33144141      9.51572303     -9.49755341
  H     -3.19830975      6.47177247    -11.67394491
  H     -5.66242985      6.79623844    -11.23596517
  O     -0.93954115      9.21909376    -15.16015897
  H     -2.73922662      5.84593642    -13.01048652
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  O     -6.65545220     10.30127863    -13.89297870
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  H     -2.48353735     13.15662823    -13.15063218
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  H     -5.44641776     12.60516850    -11.29741526
  O     -7.39795802     10.46493775    -11.20257420
  H     -1.12772640      7.37828448    -12.39560064
  H     -6.09508825     13.40091093    -12.44409888
  O     -4.93166827      9.73035414    -17.09812041
  H      0.33030306      7.81385979    -12.11452734
  H     -4.38041183     11.15191026    -10.05815987
  O     -4.86064588      7.32206630    -11.11814822
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  H     -3.29158901     11.21863359    -11.11703002
  O     -2.92880480     13.75414082    -12.53511907
  H     -5.25262220      9.21289504    -13.64119552
  H     -5.23410601      5.50699415    -14.43219720
  O     -6.29841845     12.90562691    -11.64455725
  H     -2.99139272      4.71769868    -15.31741162
  H     -6.38976563      6.36537893    -14.99549391
  O     -3.90124052     11.77860133    -10.61211535
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  H     -1.66784935      9.44892264    -12.12465428
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  H     -5.40413589      9.24741234     -8.58456857
  H     -3.14879173      9.59271143    -12.56532128
  O     -2.41508343     10.05829101    -12.13364674
  H     -5.09518025      8.71997337    -10.00230215
  H     -7.60097084      5.15729852    -11.59519636
  O     -7.20728961      5.98752969    -11.84954597
  H     -1.20282923     10.13542726    -15.00389199
  H     -6.86115611      5.86852975    -12.75463901
          69
 Energy    -248.22574598149254     
  O     10.32107446     10.58070567    -12.76167179
  H     11.14590021     10.79784874    -13.22462519
  H     18.29567569      7.12677182    -15.54712595
  O     14.52426064      6.68459391    -14.83607572
  H      9.62598758     10.68271142    -13.40801751
  H     15.44212971     11.56480910    -15.63901073
  O     16.81695058     11.09212879    -10.42232192
  H     13.77096012      7.22520412    -15.10960256
  H     14.68074577     12.68590718    -16.38231550
  O     18.50158403      9.81229481    -17.22887320
  H     14.31266570      6.33677801    -13.95732376
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  H     16.65378990     10.20241842    -10.06088476
  H     15.45470983      8.09761627    -14.19036829
  O     13.84984940      5.97242972    -12.25945508
  H     16.96163324     11.66918205     -9.67721394
  H     10.03809614      8.51424412    -10.34952737
  O     14.61300858     10.44772101    -12.05071439
  H     19.01164398     10.11029861    -17.97608510
  H     10.57637942      9.31061780    -11.56012581
  O     16.44980195      8.26913548    -17.95933057
  H     17.75956865      9.28422861    -17.58156681
  H     16.93346044      7.82554179    -12.49797222
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  H     12.47477726      9.22820328    -14.77181525
  H     18.39168124      7.63521705    -12.05090484
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  H     11.85846960      7.81836106    -14.59027552
  H     12.07022031      6.31742002    -12.89502372
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  H     10.99471032      7.31683381    -12.44859612
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  H     18.95443169     10.17039184    -12.76341550
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  H     15.09283934      9.84304497    -12.64067073
  H     17.93798749     11.03734498    -11.98310514
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  H     19.57160067      8.18685412    -13.76733701
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  H     15.55688497      8.60886290    -17.79799764
  H     20.77988571      8.33348378    -12.81076835
  O     17.48860537      7.36025231    -11.85416344
  H     16.52822486      7.44219337    -17.47037595
  H     16.71078128      8.05634653    -10.31997332
  O     11.28868460      6.79461281    -13.20389209
  H     16.79487026      5.69687700    -11.65566694
  H     15.28996381      8.34660463     -9.79241673
  O     18.42400832     10.97522518    -12.81409566
  H     16.66686593      4.42091094    -10.80757259
  H     13.31902250      8.96374585    -16.74820203
  O     19.83828801      8.46762838    -12.87203841
  H     17.54473019     11.05506612    -14.35140960
  H     14.14922900     10.24318813    -16.94281620
  O     16.22206557      8.55165092     -9.64768426
  H     17.58544754     10.61969257    -15.86110807
  H     13.87237655      9.05923338    -11.12600790
  O     13.99687583      9.36320116    -17.30680499
  H     15.98356245      6.21012579    -15.69887274
  H     12.59461341      8.34647378    -10.63550024
  O     13.55625966      8.26938930    -10.66407255
  H     16.87996968      5.12966659    -16.33873862
  H     13.27758655     11.34371149    -14.70216971
  O     12.76026137     10.92979529    -14.00083043
  H     18.95439616      8.44410997    -16.00186538
  H     13.36225612     10.83428390    -13.24721754
          69
 Energy    -248.22556264697630     
  O     19.94138918      9.00742721    -11.79467287
  H     20.56896276      8.33389764    -12.08049691
  H     18.96161736      5.96812857    -16.25189513
  O     21.60889122      6.79483110    -12.64975189
  H     19.54715966      9.35673795    -12.60540765
  H     15.01651311      9.47907247    -10.56081735
  O     17.93954591      5.53078958    -11.30145858
  H     22.56306501      6.80123533    -12.64745706
  H     16.42682683      8.95589706    -10.95804736
  O     13.91348137      9.35778212     -9.07591645
  H     21.33164804      6.28459357    -11.86906075
  H     16.74963092      6.95134081    -14.00366677
  O     15.99535275     10.84321889    -13.56340925
  H     17.87588397      6.04914887    -12.12071789
  H     17.90435601      7.93761497    -13.65752530
  O     12.76402020      7.04166325     -9.88754982
  H     17.07004334      5.12817523    -11.17393078
  H     15.14193894      7.75617336    -15.34535573
  O     18.82549434      3.46244061    -13.24742291
  H     13.31808998      9.93941671     -8.61188654
  H     15.26923438      6.19199009    -15.45131158
  O     15.33448969      4.66836356    -11.26413567
  H     13.39894429      8.57086099     -9.33297682
  H     19.63503035      5.45868384    -10.67540119
  O     16.11403351      3.52985676    -13.84264327
  H     15.80505078     10.33220169    -12.75864095
  H     20.65620592      5.51878022     -9.52857917
  O     15.95447711      4.68897390    -16.27310089
  H     15.75186389     11.74696090    -13.37857603
  H     18.62031665      9.29095198    -17.60954063
  O     18.47463242      9.63760896    -14.10221475
  H     13.21294507      6.33201027     -9.41202284
  H     18.22260379      7.99215600    -16.87356170
  O     18.28895412      6.25563567    -16.88426288
  H     13.08316233      6.98538141    -10.79963688
  H     15.31001649      8.23642187     -8.33944372
  O     15.60725318      9.33164239    -11.31088165
  H     18.68633176      3.95204650    -12.43069611
  H     16.72403610      7.79108154     -8.74892995
  O     17.60278206      7.02595508    -13.55842401
  H     19.28573739      4.08378965    -13.82759256
  H     20.53976178      6.09035032    -14.06127739
  O     15.09986125      6.92573471    -14.84871676
  H     15.05128231      4.66505162    -10.34149002
  H     19.01987492      6.16991394    -14.30542111
  O     20.58441438      5.48731746    -10.47977009
  H     14.94462711      5.46464612    -11.65621901
  H     14.74048497      7.80547083    -11.97509838
  O     18.20145338      8.96428059    -16.81771119
  H     15.73529689      3.77125087    -12.99135262
  H     14.38862621      6.95560028    -13.21999683
  O     15.96827775      7.54441096     -8.20046539
  H     17.05660377      3.37269081    -13.68306947
  H     16.37997129      9.30555480    -16.37341353
  O     19.83160537      5.73536031    -14.61125361
  H     15.99798754      4.22833500    -15.41467487
  H     15.57281080      9.94729900    -15.22327214
  O     14.24963766      7.02579797    -12.26490956
  H     15.53085246      4.09069543    -16.88273313
  H     15.13409969      6.00207404     -8.41420148
  O     15.49369201      9.37332822    -15.99515507
  H     17.68316925     10.16483945    -13.93109735
  H     14.51015617      4.73405643     -7.78473192
  O     14.58920037      5.21741606     -8.60280941
  H     18.49944465      9.46507816    -15.05298729
  H     17.84566839      7.21227984    -10.50036643
  O     17.86642873      8.13400086    -10.21343958
  H     17.52177411      5.68873146    -16.74029916
  H     18.63835293      8.52586690    -10.64871442
          69
 Energy    -248.22548246714979     
  O     15.24157622      8.95312871     -9.90940971
  H     15.01637392      9.70053280    -10.48059017
  H     13.65824256      6.05408331    -15.01567542
  O     12.15108500      9.82526336    -13.53436953
  H     14.42091338      8.50810625     -9.66273813
  H     17.77055149      4.21518107    -12.88453728
  O     17.41695928     11.44717405    -12.70723629
  H     12.28527860     10.77672634    -13.48266822
  H     17.53414753      2.90581281    -13.67767424
  O     12.58889000      5.27948006    -13.66096841
  H     12.96889556      9.48107384    -13.92132476
  H     12.43740208      7.22760134     -8.69097288
  O     17.69675639      5.74393632     -9.12072474
  H     18.08872986     11.02842683    -12.15685602
  H     13.64953024      6.59425329     -9.41731092
  O     15.63424133     12.72211548    -14.62274762
  H     16.56315353     11.24413268    -12.29915095
  H     17.98643641      7.16106718    -15.64990535
  O     15.94618681      7.43247451    -12.19440762
  H     12.33263459      6.04826072    -13.11766669
  H     19.22976524      7.82237987    -16.29401530
  O     14.80875609     10.79786323    -11.89421351
  H     11.78988564      4.79403145    -13.84558608
  H     13.99706684     12.68503036    -13.86433791
  O     18.61419253      7.75453633    -12.81833760
  H     17.79628643      6.71273785     -9.11426131
  H     12.76839548     13.43306830    -13.30514786
  O     19.27435955      9.87049144    -11.23934022
  H     18.12139622      5.42228430     -8.32916841
  H     11.95048530      8.29536973    -12.50644924
  O     16.96601788      5.81331348    -15.55098761
  H     15.88680568     11.99722301    -15.20619191
  H     12.30863185      7.48182738    -11.22030450
  O     14.29896090      6.51545577    -15.57038834
  H     16.29713216     12.68127760    -13.92244445
  H     14.85515998      5.03888469    -10.44021873
  O     17.19016696      3.78384114    -13.53826509
  H     15.60977667      6.52698640    -12.18488973
  H     15.81457460      5.48502128     -9.32039672
  O     13.02564764      7.34372435     -9.43231385
  H     15.73119974      7.84451035    -11.34830159
  H     15.62327881      4.35579415    -12.74398200
  O     18.57087002      7.94249265    -15.61600913
  H     14.20265046     11.50945500    -12.13304643
  H     14.13744574      4.86400212    -12.77418652
  O     13.20008825     12.58288835    -13.31593705
  H     14.70973796     10.14532057    -12.60077541
  H     18.34925234      5.27876074    -10.83244434
  O     12.00682357      7.40567599    -12.13154447
  H     18.69703841      7.81655726    -13.77768165
  H     18.82771106      6.02291640    -12.09624943
  O     14.88028991      5.38143026     -9.53518714
  H     17.67187327      7.63619059    -12.61845417
  H     15.46022031      9.39489767    -14.60010474
  O     14.94248720      4.82077274    -12.24190427
  H     19.12221682      9.09799627    -11.81227081
  H     15.14082444      8.32874539    -13.50084529
  O     18.67216991      5.14209177    -11.73190989
  H     20.21920307      9.99188639    -11.18382991
  H     16.92643792      8.70660517     -9.31337468
  O     14.74147146      8.95248525    -14.12703629
  H     16.01800268      5.99640905    -15.62990922
  H     18.37282565      8.99581068     -9.76905869
  O     17.84946902      8.44549762     -9.17712357
  H     17.05807878      5.08499552    -14.92794564
  H     17.25005763     10.58775897    -14.36597823
  O     16.93351928     10.20932905    -15.20018620
  H     14.33486858      7.41603881    -15.22774543
  H     17.53282766      9.49003545    -15.43370786
          69
 Energy    -248.22518344580701     
  O     -7.26596595     -2.92505083      6.24579951
  H     -8.01185560     -2.32900244      6.38115531
  H     -8.02718136     -0.73286957      3.73366350
  O     -7.16032816     -4.37690500      3.94078180
  H     -6.46270207     -2.43564751      6.45872330
  H     -4.34773495     -1.49985207      5.82194389
  O     -5.51598738      0.61058220      0.42089490
  H     -7.22653086     -3.91387657      4.79413976
  H     -4.12487877     -1.82587741      7.31811811
  O     -6.17865946      0.76889873      5.97785273
  H     -7.57816734     -5.22387047      4.06542597
  H     -2.50046401      3.67022342      2.12336972
  O     -5.67263476      5.20154208      1.21206652
  H     -5.71801923     -0.29021404      0.14269963
  H     -1.16555773      3.22322477      1.47704202
  O     -9.61144155     -1.27282609      6.44940796
  H     -6.33422382      0.96243052      0.79898107
  H     -9.66096979      4.36181829      5.08547950
  O     -3.72666127     -1.39584694      4.20771681
  H     -5.65500337      0.07861855      6.40206334
  H     -8.56979688      3.68292763      4.23169564
  O     -4.42959592      3.17642880     -0.10811722
  H     -6.51748336      0.37429271      5.15706865
  H    -10.21790519      2.18508198      3.74802849
  O     -9.80227383     -1.14221647      3.63626612
  H     -5.79831868      5.94417047      0.62759256
  H     -9.67656376      1.56591342      2.46376798
  O     -6.51413874     -2.01689635     -0.03684354
  H     -5.27343009      4.49001880      0.67943319
  H     -5.88321782     -2.49129948      1.67133950
  O     -3.68541531      0.91280390      2.55263351
  H    -10.25307328     -1.46102095      7.12946581
  H     -6.18335398     -3.26718884      2.99959935
  O     -7.12302007     -0.39487379      3.66605097
  H     -9.37915710     -0.33132315      6.53822774
  H     -9.29997268     -1.36970780      1.76323880
  O     -4.77953852     -1.52133359      6.69603004
  H     -3.57292457     -0.58190732      3.71312884
  H     -8.72042362     -0.19657526      0.96535553
  O     -2.09241829      3.00925791      1.53550298
  H     -4.29192724     -1.93353099      3.63444775
  H     -7.85808536      1.20528774      6.53132457
  O     -9.32404861      3.50987630      4.81781597
  H     -3.55474121      3.11159427      0.29546051
  H     -9.04037950      2.07681669      6.06735641
  O    -10.40493721      1.50234984      3.09235588
  H     -4.79110538      2.28117121     -0.09811829
  H     -3.98419009      4.09009400      3.71058263
  O     -5.67024180     -2.54186994      2.60918316
  H     -9.86907352     -1.33585798      4.57916509
  H     -4.22906336      5.04795142      2.53067214
  O     -8.90930908     -1.14034666      0.90984388
  H    -10.16299108     -0.24993571      3.51059083
  H     -4.55256190      2.00505431      3.72395558
  O     -8.81669529      1.31553100      6.61318062
  H     -7.41535210     -1.79475225      0.25906750
  H     -5.33631518      2.08351003      5.05555109
  O     -3.53771232      4.70019180      3.10678644
  H     -6.60507487     -2.56636148     -0.81063516
  H     -7.63465745      2.31593727      2.10594029
  O     -4.99198961      2.61968098      4.32934992
  H     -3.01433201      1.51468676      2.20692709
  H     -7.55567424      0.80502016      2.44690126
  O     -7.82825715      1.43566698      1.75788187
  H     -4.29033950      0.72135548      1.82321387
  H     -6.41917418      3.37622684      3.57701316
  O     -7.15855310      3.77951053      3.09543350
  H     -6.57097205     -1.11360529      3.33152750
  H     -6.76858202      4.37710877      2.44510938
          69
 Energy    -248.22507478832097     
  O     17.37869749     10.07536002    -16.60196198
  H     17.56330255      9.55971092    -17.39844103
  H     15.80320395      4.15660272    -11.17000215
  O     14.30532582      5.56987239    -13.58759125
  H     18.19569148     10.49198213    -16.30912862
  H     20.35195706      7.96138040    -16.02892397
  O     17.01751783     12.81815849    -11.06095246
  H     14.15943730      6.51393158    -13.44035565
  H     21.78794795      8.26846012    -15.53833417
  O     19.28267026      7.49849319    -13.32716924
  H     14.67821413      5.50150949    -14.47689002
  H     17.04198710      8.71653150    -15.35864223
  O     15.02841536      7.81625203    -17.84782521
  H     17.26243595     12.41277372    -11.90429006
  H     17.71689956      7.78707796    -14.29652910
  O     15.42306404      9.95810525     -9.42301577
  H     16.05980771     12.71359004    -10.99447018
  H     14.41467881     10.51351638    -15.44642850
  O     14.65890275      8.33853797    -13.17808800
  H     19.93747509      7.88769334    -13.91662721
  H     15.52722133     10.30415423    -16.47253838
  O     17.57043515     11.16551351    -13.27364737
  H     19.10131230      8.11950258    -12.60715481
  H     15.48485376      7.92444030    -11.67213004
  O     18.36990886      4.86911647    -13.42321199
  H     15.07927603      7.04824844    -17.26447068
  H     16.13700174      6.69076916    -11.01133421
  O     18.25716427      4.49630157    -16.09794072
  H     14.69915482      8.55789146    -17.31996399
  H     18.59248093     11.45385361     -8.60342771
  O     15.73910897      5.80407189    -16.00130706
  H     16.31061745     10.27485449     -9.21594421
  H     17.76533961     11.76599583     -9.87521725
  O     16.10701165      4.90648136    -11.67488382
  H     15.54080374      9.08085737     -9.81001030
  H     18.38432253      9.77210744    -10.64405706
  O     20.87712928      8.53134142    -15.43533478
  H     14.47244626      9.28068935    -13.26158413
  H     17.52559653      8.61659279    -11.22367776
  O     16.88841122      7.98484760    -14.74809515
  H     15.42329611      8.18515036    -13.75599956
  H     13.51637201     12.29710068    -10.45901187
  O     14.58455856     10.14820749    -16.32100760
  H     17.78718864     10.43789326    -12.67314070
  H     14.61592629     11.21449468    -10.36029965
  O     16.04309112      7.64611911    -10.92846277
  H     18.26445993     11.18795393    -13.93989561
  H     19.02802430      6.09846337    -16.73040446
  O     18.09586026     11.04640997     -9.30727933
  H     18.77673946      5.73800564    -13.30023192
  H     18.76660061      7.32267493    -17.64212029
  O     18.28792166      9.18766943    -11.40548840
  H     17.62993794      4.82878600    -12.80620615
  H     15.70065950     11.12934847    -13.56836390
  O     14.29228609     11.95895406    -10.89807464
  H     18.30373648      4.57034976    -15.12695067
  H     14.46145236     11.46176134    -12.71254750
  O     19.39269039      6.94694675    -17.01075677
  H     18.52916822      3.60972996    -16.31870694
  H     20.15036348     10.18034152    -15.31182267
  O     14.73389640     11.08734434    -13.55948937
  H     16.13947237      6.57550162    -15.56842645
  H     20.29663173     11.71469467    -15.44289656
  O     19.66607498     11.02026725    -15.26672919
  H     16.47679498      5.20862507    -16.17325071
  H     16.61475722      8.05835343    -18.46670741
  O     17.53851580      8.24952140    -18.71657228
  H     15.42937915      5.07857033    -12.35427239
  H     17.55169234      8.34056438    -19.66509058
          69
 Ord_Energy   -248.225037    
 O   -10.8143272      -2.25613666       3.53065133    
 H   -11.3647451      -2.76502633       4.11946726    
 H   -10.5992422      -1.42375445       3.99328804    
 O   -4.89874172     -0.672619820      -1.26887453    
 H   -4.79920721      -1.20138562     -0.461637378    
 H   -4.96170807      0.251640201      -1.00759089    
 O   -5.10125399       2.05702782     -0.363563508    
 H   -5.14559984       1.77121508      0.565618813    
 H   -4.33168888       2.61673403     -0.440640539    
 O   -4.15819502      -1.03985989       3.44954467    
 H   -4.92057562      -1.20993698       4.03292274    
 H   -3.37359405      -1.13796890       3.98104453    
 O   -11.8765888       1.44285727      0.539967716    
 H   -12.7884369       1.72084868      0.533187509    
 H   -11.8779945      0.482584924      0.706396878    
 O   -7.70173120      0.852784336       5.92911911    
 H   -7.37195635       1.51685357       5.29714870    
 H   -7.59385729       1.22740114       6.79921722    
 O   -4.78237295      -2.27693009      0.963749528    
 H   -5.44042015      -2.96501565       1.10927355    
 H   -4.53025436      -1.94556248       1.83374572    
 O   -6.86725092      -4.27050781       1.27615035    
 H   -7.27476215      -4.17219639      0.397012144    
 H   -6.62078047      -5.18724298       1.36430395    
 O   -6.38280439      -1.43566942       4.89638948    
 H   -6.82261992     -0.685118556       5.31340218    
 H   -7.01808786      -1.81421566       4.27259684    
 O   -9.85292816       1.73051560       2.43803120    
 H   -9.44195271       2.60398054       2.44303870    
 H   -10.5736856       1.74040651       1.79546535    
 O   -10.1169147       8.35035071E-02   4.64684200    
 H   -9.34096622      0.288865983       5.18082094    
 H   -10.0985937      0.714594305       3.91275239    
 O   -10.4706469      -2.40782166      -1.16824126    
 H   -9.85291290      -1.65535593      -1.20218766    
 H   -10.9660673      -2.39199162      -1.98431587    
 O   -8.09084034      -2.38737631       2.90659690    
 H   -7.75512218      -3.12352395       2.37873936    
 H   -9.03186703      -2.51573181       3.07836246    
 O   -8.01152515      -3.88121438      -1.13336122    
 H   -8.91090393      -3.53325796      -1.11303639    
 H   -7.51481628      -3.29645371      -1.72104764    
 O   -5.46853209       1.07063735       2.14592648    
 H   -6.30301952      0.648220956       1.88588452    
 H   -4.92744923      0.397078723       2.57520556    
 O   -8.41932487       4.13311768       2.37033463    
 H   -8.08703804       3.93916512       1.47337365    
 H   -8.66123199       5.05455589       2.38060117    
 O   -8.59511662     -0.429620504      -1.20714414    
 H   -7.90348721     -0.831094801      -1.74648869    
 H   -8.25310516     -0.308798075     -0.308681041    
 O   -9.73052597       2.11639142      -1.26838338    
 H   -10.5218143       1.96961117     -0.737992942    
 H   -9.33763981       1.23986280      -1.38395071    
 O   -7.61328459       3.46785736      -9.00888368E-02
 H   -6.80868292       2.98654509     -0.307416052    
 H   -8.34230042       3.04405451     -0.567300200    
 O   -6.73709059      -1.90613437      -2.72377133    
 H   -5.99994373      -1.48372161      -2.24292350    
 H   -6.51145315      -1.88096344      -3.64896917    
 O   -6.75525904       2.61812091       4.10552359    
 H   -6.21662092       2.14334130       3.45835972    
 H   -7.30037308       3.22731781       3.59380627    
 O   -7.90095329      -3.51342708E-02   1.45151913    
 H   -7.96722603     -0.857762575       1.95579875    
 H   -8.57154655      0.574698865       1.78808188    
 O   -11.7566805      -1.21134198       1.05013204    
 H   -11.3565168      -1.73766220      0.347121835    
 H   -11.4668941      -1.59686077       1.88521659    
          69
 Energy    -248.22494372773076     
  O     17.77842800      8.08991330    -12.67424683
  H     16.96393348      8.44858641    -12.28554436
  H     13.65520565     10.64025978    -13.73730144
  O     11.60678792      7.70363049    -10.25373773
  H     17.50928990      7.44207999    -13.33655683
  H     11.66517155      9.81363836    -13.13970060
  O     18.99485797     10.48627577    -13.18395416
  H     11.00006342      7.51641856     -9.54322952
  H     11.20829701     11.26643654    -13.41675456
  O     11.28463599      8.12230899    -13.05269906
  H     11.85256697      8.64467996    -10.17604658
  H     18.11875932      5.01240759    -10.17728603
  O     16.71307827      6.24482099    -14.48150796
  H     18.62133813      9.59796024    -13.05566729
  H     16.86484598      4.67668087     -9.39715720
  O     18.53271115      6.90042671    -10.24967222
  H     19.71218314     10.39845688    -13.80617900
  H     14.56821505      7.58862084    -11.22308585
  O     19.21240648      9.13095848     -8.66967563
  H     11.30302265      7.86075726    -12.12335540
  H     13.25646513      6.99934103    -10.62894299
  O     16.05697556      6.47070060     -8.86704896
  H     11.73804160      7.42871772    -13.54585286
  H     16.59965651     13.77838000    -10.45406072
  O     12.71349903      6.14346052    -14.52899327
  H     17.16632648      5.54720223    -14.94887614
  H     16.59967286     12.64932639    -11.51415266
  O     16.65676931     12.14888869    -13.17035358
  H     16.03251481      5.81455247    -13.93731876
  H     15.09479587      9.53439561    -12.50199337
  O     14.66668679      8.08794091    -15.34650405
  H     18.86620639      7.61222770     -9.68840948
  H     15.33491956      9.64600966    -10.96499016
  O     14.57684734     10.45712851    -13.96118141
  H     18.35862957      7.28926182    -11.11658495
  H     18.21577109     11.78394432    -10.35946112
  O     11.93979319     10.74769169    -13.09245370
  H     19.15562629      9.88460950     -9.28416762
  H     19.07688990     10.98430635    -11.35469578
  O     17.51595868      4.28088207     -9.98872085
  H     19.93554231      9.31353696     -8.07571593
  H     15.49501767     10.24193333     -8.91734866
  O     14.15227403      6.77186132    -10.90608268
  H     16.87237281      6.65326151     -9.35772176
  H     15.55344674     11.52795815     -9.81724851
  O     16.64549630     12.83186545    -10.55748757
  H     15.33887160      6.51335236     -9.51293427
  H     14.51607100      5.62635682    -12.19300710
  O     15.41991540      9.05738047    -11.72685016
  H     13.37570468      5.67920567    -13.99049401
  H     15.17383827      4.28681132    -12.66892174
  O     18.96158045     11.17449945    -10.41591511
  H     12.28831899      5.48309667    -15.07098435
  H     17.38688817      9.16046214     -8.07369314
  O     15.02116676     10.75616348     -9.58999040
  H     17.45686430     11.62723479    -13.30622029
  H     16.19489006      8.19041721     -8.09007208
  O     14.71457728      5.08352396    -12.97154340
  H     15.92613739     11.63212190    -13.53691904
  H     13.24326028     10.52503218     -9.96691380
  O     16.43354209      9.11405955     -7.93537701
  H     13.91960937      7.50183860    -15.17545968
  H     12.26693945     10.60411616    -11.17258106
  O     12.35352539     10.29007921    -10.26518147
  H     15.45079624      7.54907773    -15.19066418
  H     16.27522156      2.08275766    -11.90278477
  O     16.23446396      3.02341399    -12.05167838
  H     14.59489048      9.68812254    -14.55073090
  H     16.73340024      3.43103208    -11.32283967
          69
 Energy    -248.22472553577353     
  O     14.34427107     13.88750435    -11.33951824
  H     15.14286948     13.46146342    -10.99038100
  H     16.95390900      5.48774725    -14.66257155
  O     19.71876378      6.37238130    -12.45477849
  H     14.19909664     14.67057355    -10.81384245
  H     16.70958278     11.56400309    -16.87368684
  O     18.81548327     10.68105858    -12.95839733
  H     20.53601301      5.90848078    -12.29361793
  H     17.78682818     12.18187724    -17.79364726
  O     12.89551761      9.57620146    -11.24463161
  H     19.71614437      6.61875507    -13.39744321
  H     12.73303420     11.49896461    -13.89148998
  O     15.87556492      7.44758166    -11.50389540
  H     17.84654487     10.73986044    -13.02202554
  H     13.51340267     10.26249981    -14.35673466
  O     14.68501902      8.59469972     -9.23950459
  H     19.10475770     11.56192577    -12.69680696
  H     15.75247751     11.70473358    -13.41560144
  O     17.07948698      5.34296023    -12.92843279
  H     13.43760965      9.28441774    -10.50189626
  H     15.52538533     10.20539564    -13.06535724
  O     14.95393451     13.27865581    -14.04300630
  H     13.28475185      9.17575870    -12.02942632
  H     17.59506697      9.56699463     -9.83311974
  O     16.14165058      8.32689413    -15.71254654
  H     16.75124235      7.85637012    -11.43682568
  H     16.94498666     10.95798869     -9.62098014
  O     18.43157229      8.55379539    -11.23332354
  H     15.40762452      7.66815738    -10.68916255
  H     18.72679344      6.49318928    -15.41205852
  O     15.15760168     10.76297486    -16.74355103
  H     14.47449192      8.31043919     -8.35422878
  H     19.32094691      7.91416978    -15.33312846
  O     16.98631478      5.66570350    -15.61999785
  H     15.47385137      9.16218233     -9.17460986
  H     16.67681737     13.67388127    -14.49745415
  O     17.62867979     11.88582105    -16.90069450
  H     16.53160852      5.93600870    -12.39785701
  H     17.75245333     13.09578850    -15.42706357
  O     13.23056983     11.13764697    -14.64381332
  H     17.99065481      5.54244955    -12.67966017
  H     19.59523123     14.09401439    -12.19663181
  O     16.11654906     10.95320007    -12.93066389
  H     14.65852750     13.61148563    -13.18527308
  H     18.49074421     13.56201525    -13.14205607
  O     16.97115861     10.05581065     -9.28067499
  H     14.27363398     12.67196908    -14.36436860
  H     18.81756172      9.99837040    -14.63297791
  O     19.48605561      6.99386431    -15.08938416
  H     16.33580547      7.38458536    -15.79150746
  H     18.41033190     10.40000561    -16.07055215
  O     17.63285239     13.64750998    -14.64563779
  H     16.99226293      8.77341981    -15.59497793
  H     12.38172622     11.22562505    -11.79320472
  O     18.92368230     13.42274853    -12.27896707
  H     18.94943622      7.79623111    -11.53396865
  H     12.84720060     12.69432028    -11.83838266
  O     18.62318683      9.64239715    -15.51167038
  H     18.66447597      9.29068022    -11.81563017
  H     16.41588295     11.85911543    -11.40913907
  O     12.25338492     12.06579918    -12.26095120
  H     14.39453134     10.98149949    -16.19676506
  H     17.48895012     12.91810055    -11.10256930
  O     16.69486018     12.50518185    -10.74002611
  H     15.38223062      9.84558599    -16.53619723
  H     14.94453794      8.19609072    -12.82906247
  O     14.52243754      8.72732331    -13.52209459
  H     16.77167950      4.84850544    -16.06118261
  H     15.01743456      8.54352401    -14.33415498
          69
 Energy    -248.22439308374928     
  O      1.73814169      0.17069086      5.03470001
  H      1.00172310     -0.40406066      5.30966031
  H     -2.15024496      2.84515396      1.44321838
  O      1.13771806     -0.72840062     -2.99251463
  H      2.41519317      0.07943653      5.69995767
  H     -2.31009918      0.26322399      4.73022567
  O     -0.39988112     -1.37444392      5.77052384
  H      0.32534047     -0.38176869     -2.59693444
  H     -3.62875215      0.10920339      5.49150023
  O     -0.94296864      0.18465001     -1.34247921
  H      1.23088644     -1.62546085     -2.64888408
  H      0.07074305      2.80731985      1.02806936
  O      1.45029314     -3.16668404     -1.47629415
  H     -0.76321281     -2.11825601      5.27616605
  H     -0.16661514      3.25913410      2.47390914
  O      3.05788666     -1.54766521      0.00993276
  H     -1.16685897     -0.81783238      5.96295645
  H     -4.24672213      1.34546821     -1.29891936
  O     -4.40449740      3.01148606      3.80941473
  H     -0.35516650      0.65402817     -0.73340528
  H     -3.43963453      1.48967451      0.01548842
  O     -4.03373966     -2.03933170      3.20685817
  H     -1.83818624      0.52276881     -1.22403730
  H     -1.34227300     -0.33804028      2.65349466
  O      0.11041114      2.33096345      4.11718352
  H      2.04359594     -2.65084704     -0.90092967
  H     -2.15675204      0.97583742      2.39366305
  O      2.96510802      0.78767917     -1.66428296
  H      1.91552358     -3.96793417     -1.70074407
  H     -0.29226078     -2.86691173     -0.84562242
  O     -5.24874229      0.35327294      4.38018734
  H      2.74160645     -1.22390389      0.86394519
  H     -1.06513718     -1.53403864     -0.82224482
  O     -2.99998695      2.37394566      1.43620207
  H      3.20159012     -0.76036206     -0.52927163
  H      1.91506369     -0.18342318      3.18384393
  O     -2.68327647      0.22446854      5.62782133
  H     -4.89462749      3.82327847      3.91206281
  H      1.02138603     -1.00737389      2.22899885
  O     -0.48087711      3.38902112      1.56963182
  H     -3.63599451      3.07356923      4.40620518
  H     -2.40698000      2.07969042      5.77448271
  O     -3.58900234      0.91721163     -0.75738024
  H     -3.96253805     -1.93217727      2.24576787
  H     -1.38371764      2.98693348      5.08823486
  O     -1.66800984      0.47591149      3.05665661
  H     -4.46599198     -1.24763992      3.54020137
  H      1.71127634      1.34056976     -0.37600732
  O     -1.09152583     -2.44913868     -0.50203177
  H     -0.48254578      1.68751982      3.69578782
  H      1.26087449      0.82658551      1.01367868
  O      1.79628681     -0.42390517      2.25871692
  H      0.79876242      1.79344794      4.52254554
  H     -2.65152625     -2.84773662      3.86152430
  O     -2.27121687      2.98813701      5.46991799
  H      2.36255523      0.28429554     -2.24098435
  H     -2.02722435     -4.19332816      4.30090440
  O      0.99658709      1.38842796      0.27141317
  H      3.57164910      1.25157312     -2.23447096
  H     -0.89267194     -2.49338389      2.76372301
  O     -1.81864582     -3.27933493      4.12910870
  H     -6.17563299      0.36008113      4.60913106
  H     -0.73189450     -2.16573340      1.23648873
  O     -0.49386325     -1.88477494      2.12961091
  H     -5.01860090      1.26246024      4.13721160
  H     -3.74499308     -0.83837822      0.03773028
  O     -3.67239863     -1.69092844      0.48168421
  H     -3.52013582      2.67095977      2.19121185
  H     -2.90457359     -2.12518435      0.09040327
          69
 Energy    -248.22434441537354     
  O     11.91436835     11.67981368    -16.17809604
  H     11.48705074     11.16641706    -15.47569292
  H     18.39915026     10.56424282    -13.58724577
  O     15.28785363      7.59757694    -13.10215364
  H     12.52702917     12.28446366    -15.74930930
  H     16.67477901      9.50508935    -16.67505811
  O     16.13762494     11.51847797    -11.26377359
  H     15.02278264      8.33533057    -13.67217224
  H     17.40674003      9.98932483    -15.38772849
  O     16.48478599     12.91776764    -15.21157985
  H     15.86521247      7.97564097    -12.42425476
  H     15.31701328     10.01479927    -15.17200868
  O     13.36959203      8.07723788    -16.63530404
  H     15.31380430     11.56175326    -11.77204424
  H     13.96022152      9.28738548    -15.34216396
  O     12.41301340      9.98027564     -8.82165968
  H     16.82694757     11.92238795    -11.80437419
  H     10.93779460      9.09107758    -14.44488513
  O     12.69326907      7.32294397    -12.23818637
  H     16.56290388     12.10813820    -15.73353689
  H     11.02309209     10.09471929    -13.28526821
  O     13.80963424     11.46878291    -12.74554902
  H     15.54481496     13.12316072    -15.14236406
  H     16.35323454      7.31280530     -8.26552238
  O     17.36897283      7.08853676    -14.92259136
  H     13.01055181      8.70879103    -17.28034750
  H     15.12570110      7.63037564     -9.15215436
  O     13.43047015      7.37974411     -9.49890951
  H     14.27380773      7.87036371    -16.89906435
  H     10.86472625      6.65853261    -15.21519558
  O     16.14077833      7.73691390    -17.25700014
  H     11.98786605     10.30753351     -8.03379866
  H     12.15651536      7.46058929    -15.48182318
  O     18.28467575      9.62391373    -13.77675371
  H     13.33718241     10.28672853     -8.79202327
  H     17.52834292     12.66458298    -13.85603863
  O     16.84375358     10.27713720    -16.12199491
  H     12.19568300      7.17778362    -13.05170601
  H     18.77959661     13.06450809    -13.03718636
  O     14.52608615      9.72862834    -14.69728132
  H     13.62719700      7.32164184    -12.49766247
  H     16.69547481      9.79548202    -11.30971073
  O     10.82785096     10.02369105    -14.22745204
  H     13.09102089     11.04199996    -12.26193252
  H     16.82384409      8.46802137    -10.52089696
  O     16.03974776      7.89912819     -8.94866406
  H     14.04993197     10.85667029    -13.46017412
  H     15.49271077      9.74902455     -8.74490209
  O     11.48825901      7.25444057    -14.80679519
  H     16.64245222      7.04238778    -14.28488705
  H     15.46233975     11.05403765     -9.56813318
  O     18.09799348     12.40179387    -13.11023205
  H     17.93227082      7.80316299    -14.60555621
  H     11.91381704     10.01044482    -10.60859491
  O     17.01267041      8.88211311    -11.37228552
  H     13.10590709      7.20318883    -10.39099453
  H     12.14791326      9.02459764    -11.78082100
  O     15.05620327     10.60705844     -8.81418449
  H     12.96827960      8.17237748     -9.19868691
  H     13.33776994     14.23122487    -14.40425661
  O     11.85467138      9.92270061    -11.56756328
  H     16.59749018      7.40439019    -16.46363127
  H     13.69294975     12.81012985    -13.90982115
  O     13.72026961     13.40162249    -14.68099757
  H     16.52073070      7.28260331    -18.00470377
  H     11.95045891     10.32315918    -19.03388540
  O     12.38801404     10.01218914    -18.24714866
  H     17.94562340      9.25029595    -12.95099920
  H     12.20364628     10.67329148    -17.55527602
          69
 Energy    -248.22423170801108     
  O     17.38935522      7.86334603    -13.91548045
  H     17.80287351      8.39165740    -14.60845829
  H     13.68449502      8.16235054    -15.71438244
  O     11.89339343     10.88518928    -11.47589726
  H     17.90069560      7.96878558    -13.09916446
  H     16.79411458      7.54296101     -8.86492784
  O     18.33633194      9.67978047    -15.85069128
  H     11.77396922     10.40228679    -12.31607002
  H     17.68033999      6.29483425     -9.07402024
  O     11.65366399      9.47693225    -13.73908252
  H     11.05014691     10.87671588    -11.03129733
  H     13.33041455      9.77029502    -10.94430467
  O     15.52109918      5.84338251    -13.63548497
  H     19.18944303      9.64468301    -16.27507375
  H     14.51098149      9.32316768    -11.83175667
  O     18.56764232      8.15631381    -11.45869615
  H     18.36133930     10.42972465    -15.22667546
  H     19.65400076      5.00449861    -10.24437627
  O     19.61743086     10.77275447    -11.71420216
  H     12.25980988      9.53781558    -14.48661357
  H     18.23724473      5.11246585    -10.86007978
  O     16.60269739      9.18434691     -9.74513983
  H     11.55189447      8.52724326    -13.57697220
  H     15.16535684     12.57242688    -12.43870202
  O     11.75917842      6.72109944    -13.42868570
  H     16.20621602      6.51498731    -13.76801736
  H     15.78234749     11.22492892    -12.87768541
  O     15.85677105     10.00441337    -17.16343595
  H     14.95694094      6.12828324    -12.89980356
  H     16.44429335      4.71730292    -12.37895666
  O     13.64540568      6.28828527    -15.59777172
  H     18.82401332      7.29325316    -11.11035849
  H     16.14886464      4.39179969    -10.90067632
  O     13.72957272      9.12401668    -15.63063233
  H     17.86502366      8.49286426    -10.88387315
  H     16.03729072      8.99882330    -13.54307049
  O     16.88966538      6.61262081     -8.62082598
  H     19.01684525     11.20065580    -11.09166901
  H     14.68055633      9.46766795    -14.13410823
  O     14.10952215      9.20404371    -10.95510220
  H     19.42989679      9.82784133    -11.63817592
  H     17.57348780     11.99001606    -13.64917906
  O     18.92945643      5.60736680    -10.38567515
  H     16.89834907     10.10348145     -9.74430327
  H     18.93695663     11.37613992    -13.28696965
  O     16.00584306     12.10730912    -12.54622380
  H     15.69311010      9.18930548    -10.07534895
  H     14.10745202      5.95223399    -10.77794358
  O     16.83707585      4.35176544    -11.57682036
  H     12.37073743      6.55590547    -12.69835274
  H     13.87972116      7.42608474    -11.23290343
  O     15.28139077      9.57812830    -13.38559830
  H     12.24505575      6.47863297    -14.22553051
  H     17.36280826     12.65199126     -9.69954058
  O     18.38583227     11.64530875    -14.03727941
  H     15.95284889     10.77853918    -17.71421812
  H     16.89945850     11.97906708    -11.01218909
  O     13.83119269      6.50396229    -11.51988740
  H     16.71678899      9.87604225    -16.73768708
  H     12.89832411     12.37032664    -11.91448974
  O     17.40651858     11.83768638    -10.19409006
  H     14.34504302      6.04882556    -14.96704004
  H     12.89822000     13.67697839    -12.71856736
  O     13.45733356     13.11273147    -12.18891559
  H     13.64464166      5.61632701    -16.27469030
  H     14.59985203      4.40871115     -8.77862506
  O     14.94813512      4.93633659     -9.49187454
  H     14.40855287      9.43698483    -16.24520010
  H     15.60175111      5.54472581     -9.10217294
          69
 Energy    -248.22415269413614     
  O     13.75551167      9.30596766    -10.98216021
  H     13.57685842      9.95620828    -11.67339499
  H     12.68902688      7.85952957    -10.66989026
  O     16.31610949     11.08616994    -13.24140296
  H     14.24156650      9.73094891    -10.26350863
  H     20.27033916      8.11028448    -14.34610385
  O     14.00686219      4.49857337    -13.45821852
  H     16.71478673     11.11681431    -12.35958416
  H     18.76753445      8.43138755    -14.51198275
  O     15.85487558      7.56980926     -8.35915977
  H     15.39568931     10.81138533    -13.13433214
  H     15.62396090     12.22494713    -14.45455128
  O     15.64525944      7.56663000    -12.10606348
  H     14.47616232      4.54176551    -12.61395142
  H     15.12916594     13.55603766    -15.05947520
  O     13.52405208     10.78588225    -13.31767128
  H     14.68646881      4.54274796    -14.14021367
  H     12.40192785      7.73841243    -14.11173174
  O     18.24099595      8.35060457    -11.49850742
  H     15.18513474      6.88655672     -8.46606959
  H     13.72139038      8.13741335    -14.79314153
  O     17.36587008     10.89030994    -10.75268697
  H     16.70094178      7.17972436     -8.62299842
  H     15.19215626     10.35367398    -17.51964529
  O     18.32874912      5.22325599    -13.78304910
  H     14.97823540      8.14678807    -11.71620078
  H     15.56417198     11.43905057    -16.50207022
  O     16.15362301      4.88002236    -15.31979519
  H     15.49818622      7.53739244    -13.05994539
  H     11.07195611      5.65227624    -13.52900034
  O     18.06156337      4.28016308    -11.11330007
  H     13.21137908      9.99446679    -13.78967009
  H     12.60311315      5.53131622    -13.36141792
  O     12.27505714      6.99105536    -10.56684759
  H     13.63175702     11.48075412    -13.97109627
  H     13.31745180      5.14216404     -8.22403730
  O     19.40050055      7.86270737    -14.04189139
  H     17.33342471      8.07098675    -11.69692872
  H     13.21557110      6.07392348     -9.45695053
  O     15.03864037     12.60872411    -15.13042769
  H     18.75574096      8.20480513    -12.29911292
  H     15.53572280      5.91500494    -11.42540430
  O     12.84728492      8.47411961    -14.54841350
  H     17.80849641     10.04533914    -10.91856935
  H     14.90609355      5.06366264    -10.29272672
  O     15.93649875     10.74462503    -17.06574219
  H     16.73066052     10.72101673    -10.04659040
  H     18.30278430      5.73537547     -9.82719462
  O     11.84692410      6.13494727    -13.25254748
  H     18.35235575      4.93766307    -12.86148625
  H     18.39468038      7.24887906    -10.01903544
  O     13.83787973      5.57906652     -8.89200524
  H     18.75820980      6.08529910    -13.83114609
  H     16.16158993      8.13714099    -15.07482744
  O     15.43701770      5.00718700    -11.09675815
  H     16.37605119      4.33800612    -16.07146718
  H     15.68383488      6.64544429    -15.15613282
  O     18.25375763      6.56810089     -9.34592710
  H     16.95701287      4.94623649    -14.77131704
  H     15.56437732      9.22932980     -8.64121962
  O     15.42352248      7.53977944    -14.90177949
  H     18.18461683      3.37149355    -10.84982038
  H     15.18719547     10.60457937     -8.03948500
  O     15.36025633     10.15756199     -8.86323059
  H     17.10400949      4.45348103    -11.08327004
  H     17.08653190      9.85714752    -15.94378602
  O     17.46043071      9.45220009    -15.14921327
  H     12.06317657      6.68923438    -11.45798846
  H     17.15799109      9.99846524    -14.40722645
          69
 Energy    -248.22402930227076     
  O     12.69382409      2.72842174    -12.76456398
  H     12.57683980      3.59526221    -13.17246142
  H      8.00983334      7.23068863    -10.62017927
  O     11.42609549      1.25265540     -8.62662155
  H     11.94438885      2.19958933    -13.06335399
  H     12.17706281      5.55271700    -10.53079901
  O      8.32194348      6.51591204    -14.24417289
  H     10.86741787      1.95036442     -8.23986166
  H     12.29707614      4.09165404    -10.02172135
  O     15.46195839      6.66557073    -10.39429524
  H     11.48730888      0.55912759     -7.97471937
  H     13.02397353      5.97905052     -7.09281704
  O     11.21519604      5.66902990     -7.41074171
  H      8.56129803      5.61702587    -13.98142201
  H     14.37857299      5.48002230     -7.65383554
  O     10.23456619      1.41655905    -13.46032438
  H      9.12380407      6.90341225    -14.61834968
  H     10.23328886      1.14723382    -10.11745733
  O     13.37965818      2.64734165    -10.11663519
  H     15.47899657      5.84118073     -9.89195347
  H      9.34167966      2.26190759    -10.68299505
  O     11.92137699      5.34623210    -13.68844945
  H     15.22123549      7.35855445     -9.76629955
  H     14.76955088      9.15659342     -7.99166303
  O      7.74350193      8.16815095    -12.18260914
  H     10.74884465      6.50924364     -7.49852799
  H     14.15702634      7.73560920     -7.97702094
  O     10.46698930      9.01174939    -12.50963004
  H     11.45034407      5.40465561     -8.31596429
  H     14.62980502      3.64238381     -9.30999514
  O      9.44971035      4.12849207    -13.29698297
  H      9.99615245      1.27609914    -12.52599029
  H     16.00354736      3.72373509     -8.61495194
  O      8.23992079      6.76212111     -9.80718386
  H      9.98774971      0.62629470    -13.93225842
  H      9.10448289      4.18798088    -11.50433438
  O     11.75038430      4.88601797     -9.97809602
  H     12.77855521      2.05681136     -9.64524721
  H     10.07358508      4.42402055    -10.32773001
  O     13.96004602      6.20546032     -7.17451405
  H     13.20155803      2.58637637    -11.06932875
  H     12.59407828      7.46796994    -11.16793665
  O      9.61607858      1.34783081    -10.83030911
  H     11.62367576      6.04943994    -14.27816761
  H     13.93360975      6.67860003    -11.30324866
  O     14.28561243      8.53131299     -8.52482579
  H     12.35510226      5.81044361    -12.95601636
  H      9.27594255      3.54963012     -8.52908075
  O     15.23709023      4.24283781     -8.84795263
  H      6.97618492      8.69448146    -12.39136835
  H     10.23006288      4.07113286     -7.44337866
  O      9.16034811      4.16898609    -10.53793898
  H      7.87386660      7.55653117    -12.92945203
  H     11.21148610      8.52481859     -9.39576726
  O     13.01019275      6.70716671    -11.59309808
  H      9.54637723      8.81971261    -12.29106532
  H     12.72669998      8.79301512     -9.53668040
  O      9.79642257      3.26995031     -7.76926213
  H     10.94540201      9.06249669    -11.67430831
  H     11.15811034      8.28480834    -15.53376529
  O     11.90088870      8.74226400    -10.03679544
  H      9.59367744      3.19702467    -13.50147505
  H     10.79921587      8.18526885    -14.03296670
  O     10.85226465      7.67926698    -14.86401060
  H     10.31396242      4.55960093    -13.38561352
  H      9.40417353      8.66385360     -7.61086098
  O      9.90203739      8.05489817     -8.14962581
  H      8.43462003      5.85165847    -10.05747945
  H      9.26082689      7.59475922     -8.72276456
          69
 Energy    -248.22385606152238     
  O      9.98811618     10.40169886    -10.68075444
  H     10.74920301     10.67657919    -10.13836042
  H     12.83133398     10.53257251     -9.05679782
  O     14.08226340     10.36253596    -12.93564140
  H      9.22352930     10.42005660    -10.11164258
  H      9.09690660     10.47919824    -17.38925667
  O     17.04927614     12.23050031    -14.58648027
  H     13.69336003     11.24419921    -12.90266519
  H      9.84583761     11.45944630    -16.45437324
  O     16.31255902      7.88543911    -12.51827067
  H     13.91982316      9.98210656    -13.80762870
  H     13.97937113     13.18888042    -14.35799222
  O     10.66377218     11.60858866    -13.11064851
  H     17.12470661     11.53242536    -15.24755527
  H     13.73289565     13.73893784    -15.77083566
  O     12.21098599     14.22973051    -16.76595043
  H     16.24011836     12.71107069    -14.79864638
  H     17.90095164      9.82080524    -16.95123854
  O     14.54358879     11.09796380    -16.96257065
  H     16.63805141      8.78060526    -12.34574809
  H     16.84331281      9.19177016    -16.01795610
  O     14.27402541      9.31013681     -8.93125775
  H     15.46705069      7.80556305    -12.05888481
  H     14.54783140     12.77403993    -10.05255079
  O     13.06252562     12.92418434    -12.82871504
  H     10.83445071     10.81704332    -13.64199062
  H     13.96725285     14.16298734     -9.69046007
  O     13.67630588      9.04421466    -15.36030038
  H     10.33072713     11.29188601    -12.26196930
  H     16.25512877     11.29758171    -10.63737078
  O     16.73403689     10.66125755    -12.31155711
  H     12.17364424     13.46012838    -17.36236777
  H     15.38039486     10.77481861     -9.47142490
  O     12.15065623     11.18233240     -9.27089089
  H     12.08471137     15.00388220    -17.30858339
  H     10.56995717      9.61847923    -15.47311819
  O      9.92383968     10.61395825    -16.93340190
  H     15.45488624     10.78231933    -16.97868421
  H     11.92579436      9.10994945    -14.93308830
  O     14.38099766     13.26243976    -15.23582221
  H     14.51422610     11.84778393    -16.34797480
  H     16.25742862      7.72374755    -14.22963092
  O     17.09580946     10.00932790    -16.47435608
  H     14.47712466      8.65836984     -8.26551315
  H     16.30294893      6.77352577    -15.44936775
  O     13.77463815     13.35792072    -10.16336052
  H     14.07563561      8.82385720     -9.74990753
  H     12.99877654     11.51953664    -17.92137665
  O     15.76951797     11.57350889     -9.84822975
  H     12.16160951     12.57076966    -12.86833678
  H     11.45690159     11.34988712    -17.86924816
  O     11.01412864      9.30667918    -14.67467767
  H     13.26217839     13.16312797    -11.91448836
  H     10.62179166      8.78790492    -11.54436118
  O     16.16804910      7.68386178    -15.19917826
  H     13.89745594      9.74205443    -15.99445035
  H     10.93913172      8.35455750    -12.98215265
  O     12.16289448     11.91712232    -18.20170845
  H     14.43339591      8.44902307    -15.32297889
  H     10.69874866     13.46680694    -15.77421125
  O     11.03356521      8.08382281    -12.06037630
  H     17.04872553     11.26019075    -13.00124054
  H     10.13272068     12.62116026    -14.59900218
  O      9.95276075     12.92033776    -15.50049876
  H     15.79007720     10.54844327    -12.50898548
  H     13.83632685      9.00501050    -11.85522752
  O     13.70320781      8.18740473    -11.34891077
  H     12.62044910     11.98607111     -9.52298767
  H     12.78317604      7.94538341    -11.52269961
          69
 Energy    -248.22375737351007     
  O     -7.32932585     -1.73917231      6.24133960
  H     -6.38769537     -1.52798179      6.18670358
  H     -7.05741757      1.09792687      4.56305706
  O     -8.60343538     -1.56498031      3.53281010
  H     -7.62026240     -1.95363307      5.34984984
  H     -4.46196967     -1.00263922      5.02197521
  O     -6.12452557      1.26414753     -0.08179125
  H     -9.41795470     -1.30488520      3.98217853
  H     -3.83649943     -1.55670198      6.32325024
  O     -4.65471744      1.86429859      5.96131421
  H     -8.01367223     -0.79401401      3.60056313
  H     -2.56937091      3.94436491      0.88575892
  O     -5.67606550      5.78899709      0.50675800
  H     -6.36329915      0.37648732     -0.37541167
  H     -1.41932404      3.37855409      0.01644248
  O     -9.12991171      0.01779520      7.22700879
  H     -6.85243678      1.57807551      0.47055986
  H     -8.13111418      4.33165844      4.08077320
  O     -4.55069118     -0.74990266      3.29891638
  H     -4.51729603      0.91943904      6.08320751
  H     -9.40907640      3.53932003      4.43894527
  O     -4.87944638      3.64891384     -0.98262576
  H     -5.58651743      2.01569006      6.17909634
  H     -9.80331102      2.15228836      2.83536757
  O    -10.68763350     -0.30560902      4.94368156
  H     -5.44174287      5.05483270     -0.08869303
  H    -10.52995613      1.39450782      3.96451505
  O     -7.11310473     -1.32991332     -0.58576530
  H     -5.89123543      6.53536225     -0.04592213
  H     -6.49365000     -2.11761993      1.05311253
  O     -3.87540650      1.27399179      1.56151358
  H     -8.45975609     -0.64087911      6.96596077
  H     -7.13286028     -2.34879122      2.43730239
  O     -6.98569183      0.61147602      3.73073143
  H     -9.25119453     -0.06403460      8.16926376
  H     -9.03891688      0.43621367      1.07347192
  O     -4.57595797     -1.05576004      5.98737268
  H     -5.06206383     -1.39445672      2.78574675
  H     -9.16708533     -0.93797861      1.75694949
  O     -2.32486352      3.22765066      0.27201416
  H     -4.15347886     -0.11755709      2.68562660
  H     -8.04923355      1.47305078      6.57461877
  O     -8.67632341      4.04245013      4.82279735
  H     -3.96505466      3.48493747     -0.71998968
  H     -7.86638273      2.79057909      5.74439498
  O    -10.43201740      2.26234673      3.55768635
  H     -5.35232932      2.82165188     -0.82576101
  H     -3.67094774      4.54910360      2.67807824
  O     -6.29599248     -2.38332787      1.95977690
  H    -11.59508845     -0.51200904      5.15756310
  H     -4.04880325      5.51390487      1.53890423
  O     -9.22456641     -0.49597030      0.90158208
  H    -10.23071796     -0.14466949      5.78467768
  H     -4.54689939      2.77755995      4.41201008
  O     -7.40938664      2.01137250      6.09965743
  H     -7.94768876     -1.07951533     -0.14979084
  H     -4.36365770      2.49445401      2.89296208
  O     -3.29501138      5.10055975      1.97708174
  H     -7.34523040     -1.79967531     -1.38254778
  H     -7.86532296      2.92427629      1.89558569
  O     -4.61275150      3.17412510      3.53210620
  H     -3.21662760      1.82608144      1.12250533
  H     -7.74529663      1.48563001      2.43021948
  O     -8.16202856      2.01735092      1.73113332
  H     -4.64305516      1.23637969      0.97282687
  H     -6.16858765      3.93727029      2.96366608
  O     -6.94989831      4.33779049      2.55258414
  H     -6.08729744      0.27310990      3.64130701
  H     -6.62242059      4.94206070      1.87599032
          69
 Energy    -248.22366643070330     
  O     10.89101405     12.26739306     -9.71858913
  H     11.63093359     12.42690055     -9.12326700
  H     11.66583436     12.92392038    -12.99832343
  O     12.59623800      7.75251813    -16.58505425
  H     11.12143449     12.71119689    -10.54896158
  H     14.62475025     11.03542505    -14.65237363
  O     10.12575382      9.80969223    -10.54101417
  H     12.89740198      7.16413990    -17.27224540
  H     14.93073920     12.54312903    -14.69166452
  O     12.89861559      7.71393575    -13.78351936
  H     12.89290764      8.64638686    -16.83149985
  H     16.69043597      9.12607074    -10.87161812
  O     15.08006660     14.42188740     -9.50790334
  H     10.34291191     10.70028805    -10.21032578
  H     15.78201904      8.02603600    -11.48012268
  O     13.20505088     10.34107406    -17.21881149
  H      9.28741945      9.56909497    -10.15585955
  H     13.69669671      7.69422954    -10.72712171
  O     10.85279422      9.53314247    -13.26783248
  H     12.83101119      7.57701586    -14.73666523
  H     13.75679799      7.10752533    -12.14545186
  O     14.56054656     10.37061885     -8.12162330
  H     12.15437954      8.28105842    -13.53336355
  H     14.27733045     14.98250295    -11.21243690
  O     13.73291858     11.19495294    -11.53633231
  H     15.76116472     14.99082158     -9.15664330
  H     14.65624552     14.65200574    -12.66739072
  O     13.19343794     12.91195843     -8.06855956
  H     15.53140789     13.69880686     -9.97678242
  H     13.16196438      9.86251569    -10.45537148
  O     16.04570765     13.55878061    -13.44519706
  H     13.72922248     10.90841005    -16.64014017
  H     11.85682359      9.18882128    -10.00333844
  O     11.86713837     13.23036782    -12.10386604
  H     12.33487982     10.75494139    -17.28073345
  H     12.61552591     11.95445331    -14.72726601
  O     14.39704028     11.86176280    -15.11184045
  H     11.13871565     10.39415993    -13.60181997
  H     11.19323368     11.86822896    -15.34165224
  O     16.47345587      8.67379431    -11.69210867
  H     10.55966057      9.64690400    -12.35600414
  H     15.25564369     11.92269577    -11.10916220
  O     14.21444328      7.10831161    -11.29551249
  H     14.11142219     11.21778409     -8.02462537
  H     16.61595916     11.68038845    -10.41738831
  O     13.95278414     15.02206185    -12.11959988
  H     13.93709181      9.80329305     -8.59684376
  H     14.20042069      8.96217262    -13.70815277
  O     12.81392748      9.14140330     -9.90724671
  H     14.00802175     10.69721336    -12.31970361
  H     15.52553932      9.37287905    -12.99605292
  O     11.67243381     11.94997844    -14.50845396
  H     13.07064671     11.85321079    -11.77948138
  H     10.23332335     10.42087551    -16.64613836
  O     16.12144112     12.32868878    -10.93376625
  H     12.97113739     13.37090282     -7.26048660
  H      9.81706557     11.60176801    -17.55869310
  O     14.82583353      9.68893013    -13.58808710
  H     13.79803296     13.49109656     -8.55631294
  H     16.14915483     10.26743296     -8.83161774
  O     10.50341754     11.29904585    -16.97119796
  H     16.90683236     13.83435180    -13.75232498
  H     17.65210135      9.92487497     -8.69810430
  O     17.00050207     10.26339355     -9.30585826
  H     16.19071675     13.07844811    -12.61422359
  H     10.14820871      8.98537873    -14.94287893
  O     10.04077088      8.85171070    -15.89442165
  H     12.50853108     13.95238664    -12.16755573
  H     10.80621167      8.33306833    -16.17345676
          69
 Energy    -248.22365595957157     
  O      9.66338596      9.73070528    -10.01274697
  H     10.12949052      9.92416832     -9.19081550
  H     14.48468690     11.85273253    -13.47980315
  O     14.89508396      9.10651092    -16.76799353
  H      9.79364652     10.50104396    -10.58209862
  H     16.56371685      9.22960359     -9.72026281
  O     10.43531544      7.69743172    -11.66415028
  H     14.71913450     10.06424627    -16.74021935
  H     16.36405997      9.48407083    -11.21763963
  O     14.61093458      8.50808007    -14.04323216
  H     15.58099228      8.96916257    -17.41553869
  H     15.73157080      7.44458545    -11.26303382
  O     12.88490330     12.36117703     -8.79732658
  H      9.75400291      7.03220213    -11.72280902
  H     14.96847216      7.29913213    -12.59424420
  O     14.17162759     11.72325117    -16.62186725
  H     10.10337174      8.38666221    -11.06241354
  H     13.15111431     14.30125209    -11.32669630
  O     11.83813621      8.74318294    -13.92380947
  H     13.64543994      8.53857271    -13.96831759
  H     14.59221218     13.81517789    -11.08685448
  O     13.58619727      8.92192925     -7.86680165
  H     14.82138307      8.62556200    -14.97713434
  H     13.61750388      7.30062815    -10.74489301
  O     12.89265345     10.35731425    -10.84639314
  H     13.80373592     12.45220414     -9.08345264
  H     12.05846715      7.46134574    -10.69545767
  O     11.19644998     10.51426504     -7.65996070
  H     12.37623598     13.03049071     -9.27551119
  H     12.30314607     11.90453006    -14.18237155
  O     10.67829997     11.73569770    -11.71667105
  H     13.24369403     11.72929881    -16.88683700
  H     11.26930900     11.52443102    -15.27813269
  O     13.98360069     12.55075201    -13.92113800
  H     14.20443811     12.13839723    -15.74996272
  H     15.73134212     11.67213161     -9.32771165
  O     16.73662257      8.85280528    -10.59047761
  H     11.64999666      9.69009411    -13.98212989
  H     15.49446755     11.83838740    -10.83684063
  O     15.03667737      6.93374700    -11.70380421
  H     11.33242803      8.38534327    -13.18540011
  H     15.12997529      9.85369635    -12.97550741
  O     14.02332193     14.24465845    -11.73524610
  H     12.75487695      9.35772258     -7.65096243
  H     14.35630979     10.50064156    -11.80596810
  O     12.87689598      7.65348501    -10.22569019
  H     13.38059406      8.32248288     -8.59873237
  H     11.54362339     10.32649795    -17.07798133
  O     11.42851900     11.51296702    -14.32692134
  H     12.98178099     10.89272558    -10.04933970
  H     10.79274790     11.42878218    -17.86578371
  O     15.41800090     12.30183015     -9.99367107
  H     12.87769463      9.42610977    -10.58550347
  H     16.46205161     10.14615998     -7.37937647
  O     15.17425974     10.57140211    -12.32573609
  H     10.80769092     10.79844076     -6.83560250
  H     15.11337139      9.75579999     -8.02750323
  O     11.36567093     11.28376769    -17.11826713
  H     11.77914257     11.23387275     -7.95589685
  H     11.06873638     13.28902303    -10.96413597
  O     15.94981753     10.23033747     -8.17954730
  H     11.44355208     11.20945801    -11.43189872
  H     10.74893257     14.71240344    -10.44157449
  O     11.43517329     14.05181789    -10.48417538
  H     10.72250741     11.74395878    -12.68225107
  H     11.89109556      8.51806646    -15.81566554
  O     12.05786552      8.68116787    -16.75364851
  H     13.97671946     13.28802264    -13.29520567
  H     13.01808010      8.66913674    -16.85620988
          69
 Ord_Energy   -248.223648    
 O    2.56563282      -1.91297674       6.09510040    
 H    2.75019836      -1.27372849       5.39660788    
 H    2.53910446      -2.77429414       5.66080379    
 O   -2.38046360      -2.55533791       8.56864929    
 H   -1.48375177      -2.33887529       8.27963734    
 H   -2.55384159      -3.43664932       8.21727753    
 O   -5.83909941      -1.90644073       3.48313093    
 H   -5.36408377      -2.51169968       4.07499075    
 H   -6.75500393      -2.17611456       3.49631596    
 O   -2.86982441      0.787089348       1.68871224    
 H   -3.13316488       1.52337611       2.25461483    
 H   -2.05961680       1.02799928       1.21489394    
 O    2.17014861      -2.61998439       2.54582858    
 H    2.51697969      -1.78439879       2.88357520    
 H    1.48157108      -2.39625120       1.90824032    
 O   -2.32538414      -3.46058583      0.581440032    
 H   -3.03074431      -2.79988313      0.716273606    
 H   -2.60141301      -4.01754332     -0.140698299    
 O   -2.76202583      -4.98669720       7.01323032    
 H   -1.92586982      -4.88644600       6.52732515    
 H   -2.77626705      -5.87845898       7.35228252    
 O   -1.34963715     -0.801622689       3.37144375    
 H   -1.96359622     -0.263668209       2.85017562    
 H   -1.41522551     -0.535120666       4.30056095    
 O   -2.05102611      -3.46175885       3.37468791    
 H   -1.81715679      -2.52278495       3.42481256    
 H   -2.13524270      -3.66624737       2.43606663    
 O    1.44746499E-02  -2.10163021       7.08431911    
 H   0.948733151      -1.93335438       6.89444685    
 H  -0.220417932      -2.87925935       6.56192112    
 O   -1.49623990      -8.03135484E-02   5.98851299    
 H  -0.881321847     -0.693818092       6.41484880    
 H   -2.38119745     -0.332035214       6.28229284    
 O   -3.65918565       2.60040140       3.66647673    
 H   -4.16239119       1.89385498       4.11048126    
 H   -4.21583414       3.37481165       3.66532826    
 O   -4.18549967      -1.60075843       1.15855014    
 H   -3.81478333     -0.710663378       1.24156451    
 H   -4.79984999      -1.70869923       1.89327300    
 O    2.10922861      -4.36596394       4.59986162    
 H    2.11259818      -3.79411387       3.81029034    
 H    2.78613925      -5.02385759       4.46483040    
 O    3.00239277     -0.202836305       3.81093240    
 H    3.78498268      0.325833172       3.67504144    
 H    2.24209523      0.381775022       3.65597892    
 O  -0.535481215      -4.40393782       5.48881817    
 H   0.390331686      -4.50275612       5.23050833    
 H   -1.01745439      -4.13966274       4.69177818    
 O   0.707672060       1.19806468       3.30307460    
 H   0.109921113      0.440457255       3.27318192    
 H   0.240823537       1.84413421       3.85413694    
 O   -6.86108321E-02  -1.78208232       1.03882945    
 H  -0.433946550      -1.45516336       1.87318575    
 H  -0.733128011      -2.39387703      0.699149489    
 O   -4.98836040      0.522579253       4.79303980    
 H   -4.71598387      0.106633410       5.62141657    
 H   -5.34900618     -0.192584023       4.25704908    
 O   -1.06124532       2.50334811       4.92032957    
 H   -1.18299377       1.71160519       5.46292257    
 H   -1.91756260       2.66028833       4.50520468    
 O   -3.94474721      -1.13840187       6.79691601    
 H   -4.07795763      -1.88341486       6.19659376    
 H   -3.50082183      -1.51345956       7.57207489    
 O  -0.334369838       1.05873501      0.637848794    
 H   0.173791945       1.32711732       1.41384304    
 H  -0.126059279      0.125370592      0.503393412    
 O   -4.19564676      -3.43198419       5.11100912    
 H   -3.49315095      -3.46424079       4.44395494    
 H   -3.91342235      -4.03244638       5.81136465    
          69
 Energy    -248.22356148202852     
  O     14.42878662      9.52461314    -10.55729269
  H     14.26123858     10.21140046    -11.21629924
  H     13.32237812      8.17144942    -10.01712837
  O     13.07585379     10.52502137    -16.28363821
  H     15.19307727      9.77178842    -10.02044101
  H     19.60120179      6.97276951    -15.28731647
  O     16.65173292     10.94159546    -13.66963051
  H     13.05497529     11.38668196    -15.84860925
  H     18.28239167      7.74938384    -15.08112069
  O     13.77230829      4.87315949    -12.71224351
  H     12.78454653      9.88948728    -15.61780159
  H     14.36365057     12.96858949    -15.17005204
  O     15.97913803     12.64262731    -15.77900785
  H     17.21370724     11.00201663    -12.88449651
  H     13.13375173     13.85373606    -14.85136575
  O     15.83712104      7.78908198    -12.22818969
  H     15.73614812     10.89804460    -13.36476774
  H     12.24682063      8.15299817    -13.50809465
  O     13.94731701     10.96152711    -12.87286789
  H     14.50715115      4.88393018    -12.08947548
  H     13.46783838      8.27781914    -14.43878105
  O     18.58296259      8.13665387    -12.11078209
  H     14.16513036      4.69696830    -13.57529883
  H     15.40139685     10.33462305    -18.42954363
  O     18.17129945     10.80019201    -11.39528006
  H     15.92858203     11.98771476    -16.48480027
  H     14.62789479     10.34585267    -17.09167179
  O     17.43497400      4.79000751    -13.56577237
  H     16.37183984     12.17634592    -15.02628990
  H     10.92530533      6.21310938    -12.47726693
  O     15.25931284      4.65601305    -15.13908071
  H     15.28039187      8.37312034    -11.69813772
  H     12.45672024      6.01642704    -12.54510244
  O     12.83145260      7.35239102     -9.86329213
  H     15.42530155      7.65310847    -13.08928110
  H     14.15485256      5.03656332     -8.11560321
  O     18.85940091      7.07004758    -14.69485017
  H     13.47438576     10.20765626    -13.25656154
  H     13.85450316      6.08085882     -9.20792038
  O     13.45840444     12.95868492    -14.81011775
  H     13.70438841     11.73440774    -13.39640850
  H     16.01850094      6.22013626    -11.41647359
  O     12.71387385      8.77283595    -14.08029601
  H     17.61367408      8.08438958    -12.15885584
  H     15.61147230      5.24761817    -10.26340674
  O     15.51981824     10.34010860    -17.48342824
  H     18.90308091      7.78495947    -12.94719155
  H     17.37360888      6.54652489     -9.74463733
  O     11.75470457      6.68311182    -12.43767341
  H     18.52254378      9.93422750    -11.64870891
  H     18.34555592      7.55626007    -10.35529134
  O     14.48202786      5.38787056     -8.93848667
  H     17.72850944     10.65042853    -10.55243285
  H     15.69099766      7.90364985    -15.20750628
  O     16.16782343      5.33162050    -11.05427385
  H     17.17584202      4.91023756    -12.64270449
  H     15.03900227      6.48123685    -15.07320138
  O     17.87047533      7.34286804     -9.53869029
  H     17.96858237      5.54965049    -13.82638440
  H     17.14506771      8.92401704     -9.14795469
  O     14.93262976      7.41651947    -14.86042061
  H     15.30478861      3.95069508    -15.77783093
  H     16.91669393     10.08206366     -8.15168745
  O     16.77951336      9.82154480     -9.05891562
  H     16.07925184      4.61875538    -14.61216757
  H     16.66643220      9.41639179    -16.35275965
  O     17.09055123      9.01059280    -15.58546459
  H     12.37520844      7.16053639    -10.69038840
  H     17.01680988      9.65506005    -14.86347635
          69
 Energy    -248.22355988219152     
  O     16.17988030      6.92608692    -10.78021339
  H     16.88099451      7.17970945    -10.16941252
  H     18.07853313     10.03295120    -15.65291010
  O     16.41677866     11.56201247    -11.55607319
  H     16.07235528      7.69129193    -11.36827886
  H     16.28908893      9.85019051    -12.20723118
  O     18.45134164      8.32077776    -16.40636781
  H     15.69228574     11.91290899    -12.09050921
  H     16.92527153      8.67332955    -13.03315493
  O     15.46712330      3.06067978    -12.48112848
  H     17.25432410     11.77024879    -11.99096109
  H     13.05510398      5.59553273    -14.47090420
  O     12.60745038     10.44137266    -11.57592199
  H     18.97543640      8.09067571    -17.16830190
  H     11.66551255      4.96012389    -14.68206866
  O     13.46941114      6.90556558    -10.24115298
  H     17.51742603      8.20761921    -16.65962443
  H     16.79782633      9.54559815     -9.14267716
  O     14.91532739     10.69334846    -15.42096564
  H     14.66605392      3.46152171    -12.10272632
  H     16.21362971     10.75248117     -9.91299499
  O     13.45691694      9.46368540     -9.03002294
  H     15.51007984      2.17574509    -12.12989941
  H     13.22411416      5.12983553    -10.99121916
  O     18.31376220      7.60536211    -13.69691626
  H     12.89316814     10.20670408    -10.68384701
  H     12.79010902      4.66240253    -12.39330865
  O     16.63004073      5.44871299    -13.12610680
  H     12.14760232      9.66056134    -11.90424395
  H     19.48828757     12.37819477    -13.10789549
  O     19.38883025      9.15976912    -11.64164229
  H     14.42181551      6.81383269    -10.39285872
  H     18.48079606     11.39704136    -13.75716637
  O     17.73482274     10.79708921    -15.17673507
  H     13.37338623      7.70626828     -9.71031529
  H     18.87956846      8.06941678     -8.71585053
  O     16.12825839      8.97411690    -12.57625797
  H     14.68162779     11.40612862    -14.81551270
  H     18.67086268      8.60933087    -10.14916503
  O     12.19903657      5.42847726    -14.04443564
  H     14.47328008      9.92466353    -15.02661997
  H     13.55832570     11.56713001    -12.56755678
  O     16.05794322     10.16359153     -9.16184271
  H     13.10477558      9.75918093     -8.19456937
  H     13.63475851     13.02994420    -13.04789796
  O     13.21475498      4.36535255    -11.57890340
  H     14.40162532      9.70223704     -9.03559350
  H     14.40498446      7.07178895    -14.70146619
  O     18.84802328     11.70144557    -12.90644677
  H     18.43407875      7.76914923    -14.64015507
  H     15.37849908      5.88955468    -14.45164344
  O     18.20736010      8.28038101     -9.35801169
  H     17.85711855      6.75872331    -13.59508582
  H     12.39554528      7.43930081    -11.61849102
  O     14.11388969     12.20461895    -13.05112759
  H     16.35727743      4.52919863    -12.99429601
  H     11.76178273      6.98595623    -12.95113004
  O     14.68825801      6.20896395    -15.04824164
  H     16.47821402      5.88302508    -12.27466147
  H     13.15647530      8.39308953    -13.47962711
  O     11.88335188      7.75376411    -12.37954437
  H     19.17120297      8.54884426    -12.36000647
  H     14.67363480      8.75806167    -13.46467403
  O     13.91145837      8.59305642    -14.04445553
  H     19.30371895     10.04560788    -12.01154595
  H     15.37386905      8.96872998    -16.61119978
  O     15.79778016      8.14835002    -16.88223067
  H     16.77508657     10.78014350    -15.28853379
  H     15.37513548      7.43040778    -16.39293940
          69
 Energy    -248.22341469678264     
  O     18.80659514      8.51585484    -13.53052686
  H     18.49701463      8.64112383    -12.62629146
  H     14.13048965      4.29885021    -14.34503427
  O     14.66490657      4.21608086    -16.12677098
  H     18.79453899      7.56338367    -13.68683100
  H     12.84451447      8.75858237    -11.97205770
  O     12.73964415      8.96182339    -13.76352696
  H     13.98327055      4.88446294    -16.33111942
  H     13.18894291      9.47535121    -10.65254763
  O     12.73222345      6.04865349    -16.47376588
  H     14.52077444      3.48896484    -16.72685168
  H     15.62969902      8.24763012    -14.91409395
  O     18.16157915     10.12484694    -15.64299789
  H     12.67369453      9.73063921    -14.34007218
  H     15.63136785      7.40695275    -13.59776345
  O     17.09228918      5.71607267    -16.34847286
  H     13.63931106      8.62042246    -13.89961270
  H     19.00866862      4.98860763    -13.47756928
  O     13.95361439     11.09854832    -10.46633192
  H     12.95791964      6.94448163    -16.76734601
  H     17.64049924      5.70040276    -13.34676174
  O     14.86897795      5.21350024     -8.89942165
  H     12.18683679      6.14185584    -15.68592050
  H     12.79025429     11.80025815    -16.01226260
  O     16.26920378      8.29475482    -16.62049138
  H     18.40469776      9.58308527    -14.87144992
  H     14.10668265     11.24551785    -15.42724584
  O     11.21253442      6.48313010    -10.97214268
  H     18.97650943     10.46148801    -16.00628154
  H     15.82545129     11.40185598    -13.97271315
  O     13.06914475      4.32930875    -10.74732128
  H     16.31404159      5.15345271    -16.24630210
  H     16.57238865     11.17804629    -15.28625276
  O     13.82793616      4.57574841    -13.47086602
  H     17.62262259      5.61609259    -15.54937675
  H     11.34568595      6.32512710    -12.90470431
  O     12.96529879      8.60959393    -11.02230550
  H     13.77227795     12.03484792    -10.46204270
  H     11.98615530      7.32623865    -13.88111995
  O     15.32676291      8.22926717    -13.99690757
  H     14.61975385     10.95657279    -11.15878620
  H     14.52645969      8.50735445    -17.13120703
  O     18.48022087      5.69521178    -13.83978854
  H     14.23514123      4.81617397     -9.52193507
  H     13.35240532      9.41932120    -16.74501136
  O     13.18159566     11.02026822    -15.62792301
  H     14.92430406      4.61643414     -8.15918318
  H     16.60186883     10.12067592    -11.82453511
  O     15.77486865     11.57943217    -14.92154654
  H     16.62496856      7.39236647    -16.63197227
  H     15.65647327      9.69762354    -12.96006307
  O     11.71138591      6.40096411    -13.79341131
  H     16.99331965      8.90687244    -16.44630166
  H     15.29805570      5.38565072    -12.87412664
  O     13.56276026      8.58748055    -17.18100697
  H     10.43300543      6.68171324    -10.45933425
  H     15.87862135      6.34235944    -11.78157502
  O     15.87122034     10.43611219    -12.36928928
  H     11.80859964      7.24567880    -10.88064775
  H     16.94274129      8.38148680    -10.63630860
  O     16.07425292      5.90406590    -12.61947003
  H     13.34767688      4.21884678    -11.66496526
  H     18.19624918      9.09037800    -10.07749831
  O     17.71053429      8.92554319    -10.88187009
  H     12.36217719      4.98688666    -10.76584668
  H     15.30081208      6.68826838     -9.74245230
  O     15.46651561      7.41495283    -10.36300902
  H     13.10648336      5.20450429    -13.61691495
  H     14.61645707      7.82077371    -10.57461605
          69
 Energy    -248.22336038746818     
  O     16.00811889     10.87169013     -9.21045110
  H     15.13137352     10.68634013     -9.57512812
  H     13.18616568      5.89001631     -6.09241771
  O     15.25846196      4.21922903     -8.26848197
  H     16.65644378     10.62156189     -9.88420593
  H     16.99206396      6.95936710    -11.32794781
  O     16.61750790     12.39492640     -7.05047680
  H     15.32599477      3.28041344     -8.42824363
  H     16.60179457      7.47379172    -12.73004883
  O     12.62326155      4.84112940     -7.64658956
  H     14.32789963      4.40138969     -8.05847224
  H     16.10730441      7.12550979     -9.05519296
  O     13.63825106     10.08542799    -10.35751543
  H     16.46638069     13.32168047     -7.21626898
  H     15.98026627      5.58985398     -9.26715894
  O     17.74602104      9.98457711    -11.13929619
  H     16.35805147     11.91742365     -7.85798435
  H     18.67745459      9.08031039     -3.76971445
  O     19.78465562      9.63755039     -9.24253674
  H     12.35226912      5.60388188     -8.18918912
  H     18.15575916      8.55038368     -5.12606838
  O     11.97438776      6.97523728     -9.14497380
  H     11.84186481      4.31287110     -7.50598448
  H     14.68206784     10.55903200    -11.95933964
  O     15.68810191     10.54373411     -5.07007289
  H     12.98147869     10.07988998     -9.64982948
  H     16.19927044     10.48063904    -12.23972522
  O     11.94683856      9.66740324     -8.14589998
  H     13.76364051      9.15835372    -10.60655004
  H     15.03914429      8.53336172     -7.33358368
  O     13.70367047      9.02303812     -6.19662056
  H     17.64884356      9.09374935    -11.51011719
  H     15.99183491      9.27118220     -8.30595508
  O     13.64455922      6.42290069     -5.43441579
  H     18.52676125      9.95117864    -10.57188207
  H     18.26244002     11.45868170     -6.96229429
  O     17.32888060      7.43775857    -12.09672722
  H     20.71337201      9.82808851     -9.35148454
  H     18.86242514     10.34155236     -6.09762697
  O     16.25321183      6.41070716     -9.69611640
  H     19.51149635     10.05751112     -8.40780071
  H     16.80462204      5.85712641     -5.78512773
  O     18.26659223      9.35250892     -4.58589871
  H     11.85832920      7.86558694     -8.79432204
  H     15.96219279      4.79172378     -6.50570118
  O     15.33271810     10.46308239    -12.66594621
  H     12.56239456      7.06089705     -9.90769694
  H     14.72134198      6.99979778    -10.63059903
  O     15.81145773      8.41413814     -7.90108202
  H     15.94428651     11.25479527     -5.67045345
  H     14.18510682      7.46264933    -12.01092329
  O     18.97972794     10.81423378     -6.93043717
  H     16.51565163     10.14176747     -4.78063494
  H     18.31925418      6.65136411     -9.22204209
  O     16.12529262      5.18501247     -5.64135668
  H     12.55404512      9.48078143     -7.40727057
  H     19.34136414      7.78424154     -8.98756382
  O     13.95326092      7.37761238    -11.07724729
  H     11.19573095     10.12355621     -7.77579473
  H     17.08366760      7.76109990     -6.78284052
  O     19.09993121      6.88955469     -8.71360400
  H     13.64169964      8.13752952     -5.80504531
  H     18.43700152      7.08130175     -7.03196969
  O     17.82094614      7.32716856     -6.32807685
  H     14.33005685      9.56093056     -5.69009262
  H     14.73605357      7.91375649    -14.55689156
  O     14.95631630      7.94602203    -13.63032412
  H     14.51763228      6.01392595     -5.34344285
  H     15.07758355      8.88499824    -13.39981577
          69
 Energy    -248.22333793157324     
  O      0.62658493      0.54334930      4.54965889
  H      0.80523279      0.13515397      3.69389882
  H     -0.54189799     -3.42777113      3.77905697
  O     -0.74894798      2.55484831      6.96800765
  H     -0.29230798      0.83988565      4.54769823
  H     -1.37233486      1.20442665      1.29621019
  O      2.10865009     -4.83220223      6.23272245
  H      0.20672140      2.43574700      6.95430149
  H     -1.29180958      0.56377367     -0.10874579
  O     -0.61732544     -3.18591815      9.22737375
  H     -1.04243935      2.24734295      7.83501173
  H     -2.89102440     -1.29180218      4.19605207
  O      4.14239891     -0.35142064      6.08496475
  H      2.46422650     -4.07202024      6.71431819
  H     -2.44126136     -2.15189748      5.36128892
  O      1.06408817     -0.81533036      2.19083220
  H      1.28502095     -5.07194328      6.67239281
  H     -2.04546144     -0.87788218      1.84870303
  O      3.29306223     -1.56167675      3.79694272
  H     -1.15666484     -2.47892876      8.85330229
  H     -1.69901684     -2.23523424      2.46983063
  O      2.02027173      1.49782295      6.70665983
  H      0.19647674     -2.77203662      9.54062070
  H     -1.98459185      3.42253854      2.41701657
  O     -1.49509154      1.23075401      9.35503718
  H      3.84997848     -0.74529353      5.24240220
  H     -2.08661440      2.12222132      3.23016580
  O      1.27062427      0.62108222      9.28285572
  H      5.06808207     -0.14663855      5.97999469
  H      1.31225512     -1.84852830      6.69577184
  O      1.83331981     -1.89374348      9.99153116
  H      0.44896307     -0.36072005      1.60187884
  H      0.60927530     -0.86062875      5.69895302
  O     -0.08414364     -3.25980404      2.94243809
  H      0.64746739     -1.65846140      2.42515749
  H      2.97966243     -4.99307571      3.22127524
  O     -1.05153667      0.42865655      0.80427013
  H      3.11505968     -2.51006561      3.77704697
  H      2.32371119     -4.53923765      4.54639683
  O     -2.88501714     -1.31453027      5.16564675
  H      2.68870202     -1.18089846      3.14817859
  H     -0.92982560     -1.09751995      7.38106033
  O     -2.38179099     -1.55350532      2.44772210
  H      1.53122140      1.26799264      5.90126703
  H     -2.42936144     -1.04960364      7.06315552
  O     -1.98703060      2.47290735      2.32965000
  H      2.85390508      1.02266347      6.60925894
  H     -0.48666169     -4.58364706      8.17942756
  O      0.46113769     -1.55564074      6.35282289
  H     -2.18676478      1.32263618     10.00441222
  H     -0.75409387     -6.08723574      7.93730010
  O      2.46150238     -4.29518182      3.61326833
  H     -1.69024044      0.42664050      8.84231313
  H      3.42304746     -1.72781053      7.12651568
  O     -1.80276304     -0.98380399      7.79217468
  H      0.36192880      0.91399775      9.41974507
  H      2.64738239     -2.26895387      8.38244883
  O     -0.41193448     -5.29951345      7.52355360
  H      1.53716897      0.93698996      8.40920435
  H     -2.37686232      0.49794536      5.06399895
  O      2.87919243     -2.45168767      7.46227382
  H      1.64434762     -0.96011518      9.78127185
  H     -1.69103582      1.80448272      5.63424656
  O     -2.02417351      1.36706955      4.83560584
  H      2.21089558     -1.91066795     10.86664900
  H     -0.55473594     -2.86319940      5.75141570
  O     -1.19728103     -3.53539204      5.46854613
  H      0.77338370     -3.69428459      3.03683097
  H     -1.08384379     -4.27249026      6.07756346
          69
 Energy    -248.22272127442449     
  O     12.86141657     11.27211665    -15.07360132
  H     13.39309838     11.30537407    -14.26437159
  H     14.72711338      7.24324929    -10.94363579
  O     13.97057974      4.93182375    -16.99639948
  H     13.38645785     10.76923486    -15.70605144
  H     14.48988187      8.07276130    -14.24471396
  O     13.33360711      6.43841264    -11.72963526
  H     13.79070667      4.45624714    -17.80294111
  H     13.83695932      9.16843367    -13.37792035
  O     16.94114908      5.32012917    -10.94426059
  H     13.61105779      5.82917253    -17.11521189
  H     15.22750755     10.19754840    -17.38425929
  O     12.76302235      3.99215398    -14.53693952
  H     12.40663594      6.38893219    -11.47420477
  H     15.25919614      9.19225667    -16.21490623
  O     10.51064091     10.42723116    -14.00041383
  H     13.39258349      7.09080430    -12.44606544
  H      9.94014575      6.11112971    -10.78333956
  O     12.99054230      7.43859041    -17.23606811
  H     17.76279993      5.59902808    -11.36538493
  H     10.48612785      6.17747598    -12.23051678
  O     19.17721824      6.35015139    -12.44470964
  H     16.53025563      6.12781619    -10.61397499
  H     10.98964317      9.70559517    -12.27362571
  O     11.30987687      7.95732587    -15.08172329
  H     13.51958289      3.96849471    -13.93990621
  H     10.95857515      8.42005286    -11.40799081
  O     18.76850442      4.89570704    -14.71046358
  H     13.11421199      4.25715107    -15.39513807
  H     15.74487235      4.62829705    -12.18653145
  O     16.10191543      5.28789364    -15.24921505
  H      9.81768805     11.06207259    -14.16069800
  H     14.33278853      5.15043122    -12.46640069
  O     15.43734903      7.82388272    -10.62917755
  H     11.31554345     10.78014419    -14.42125660
  H     10.71812110      6.35394867    -14.36357832
  O     13.70668898      8.27392438    -13.71889362
  H     12.27000072      7.59857825    -16.61063326
  H     11.27498059      4.94587201    -14.04818268
  O     14.66744524      9.71994857    -16.77647105
  H     13.53524716      8.23343243    -17.21406070
  H     13.38768654     10.50174910     -9.41019347
  O     10.55761827      6.57427267    -11.34187389
  H     20.09415525      6.30173410    -12.18741515
  H     12.75393724      9.73782703    -10.59455968
  O     11.28833577      9.32698415    -11.43858531
  H     19.08486943      5.82632366    -13.25931477
  H     16.16335798      7.09606310    -15.24379532
  O     15.02144904      4.57101562    -12.82533576
  H     10.82492086      8.75042214    -14.82797552
  H     16.58874168      8.24650214    -14.28838849
  O     10.56877615      5.56761510    -13.82186997
  H     12.15934338      8.02497824    -14.61771909
  H     15.28082367     11.06045664    -12.81177187
  O     13.60252772     10.01124413    -10.19918622
  H     19.06138609      4.07200820    -15.09220320
  H     14.11369577     10.71365211    -11.84092060
  O     16.11215287      8.05205440    -15.10666910
  H     17.84190431      5.00046767    -14.98115261
  H     17.86260467     11.65361993    -12.65382953
  O     14.33416525     10.86380760    -12.76805199
  H     15.43727497      5.10391484    -15.92508914
  H     17.28689520     10.22802217    -12.74335684
  O     17.06458368     11.16783839    -12.84365322
  H     15.72619196      5.02852565    -14.39313581
  H     18.01782467      7.78024932    -12.54354156
  O     17.31441491      8.43720437    -12.61125768
  H     14.97686517      8.61942401    -10.33944409
  H     16.65434517      8.22945988    -11.93356061
          69
 Energy    -248.22265527365573     
  O     12.46674688      9.72208910    -14.41187887
  H     12.98738756      9.30380385    -15.11021075
  H     16.07251447      5.60229998    -14.57461519
  O     16.23004935      6.51457531    -12.92461534
  H     12.66361974     10.66379086    -14.49636364
  H     19.60616400      8.20623748    -14.73339298
  O     17.73647358     10.69471095    -11.44458325
  H     15.42907756      6.59767972    -12.38904228
  H     20.95610738      7.78405405    -14.11021263
  O     18.02341273     11.29335384    -16.21412261
  H     16.96394556      6.89964562    -12.42614979
  H     14.87469350     10.31767873    -16.81791140
  O     13.15540468      5.98095119    -16.00664810
  H     17.48419212     10.75529889    -10.51550768
  H     16.13185418     11.20176816    -16.57215842
  O     14.24113969      9.73045975     -9.05086175
  H     16.95549900     10.92863824    -11.96934852
  H     16.17744639      7.97918985    -13.93453769
  O     13.90454434      7.01525453    -11.49367652
  H     18.48905086     11.97282620    -16.69648069
  H     17.04415357      8.70956718    -14.99290901
  O     15.60113930     11.06502666    -13.10114944
  H     18.41890370     11.26725573    -15.32441056
  H     17.74712729      7.65399004     -9.96565975
  O     16.68851445      7.10234560    -17.45791489
  H     12.74158449      6.22515651    -15.15969650
  H     17.26224808      8.66234099     -8.90789299
  O     14.71606181      6.90230185     -8.82065839
  H     12.53196605      5.42859252    -16.47065390
  H     12.65891834      6.83217393    -12.89417362
  O     18.54902485      8.53263338    -16.10786665
  H     13.85112216      9.83082427     -9.92868048
  H     12.01700253      7.87520774    -13.84296416
  O     15.90399012      5.33898012    -15.48849867
  H     14.25964571      8.78149432     -8.87404765
  H     18.82299369     11.01774942    -12.93837732
  O     20.12065373      8.19726409    -13.90750742
  H     13.82012200      7.97728219    -11.57084843
  H     19.71114064     10.10911907    -13.79891263
  O     15.18194257     11.22983524    -16.74203262
  H     14.09316889      6.83424830    -10.56456247
  H     18.08206498      8.89534771    -11.65379169
  O     16.22509492      8.77127089    -14.48762844
  H     15.00131997     11.61671690    -13.61593295
  H     19.00328418      7.91750653    -12.41097250
  O     17.28802234      7.72062406     -9.11870049
  H     15.82889654     10.29673272    -13.64953495
  H     16.92739482     11.09350234     -8.02296239
  O     12.12737440      6.92860220    -13.69565147
  H     16.50747937      6.39282969    -16.81910547
  H     15.87343977     10.33002976     -8.86026604
  O     19.25923102     10.96115424    -13.79836616
  H     15.87010775      7.60011929    -17.51528060
  H     12.98930655      9.71652276    -12.58319720
  O     18.30830681      7.95790282    -11.74305519
  H     15.66363966      7.10996267     -8.91195942
  H     14.33672340     10.22714141    -12.09040781
  O     16.82189494     10.54079892     -8.79264825
  H     14.63584927      6.28927008     -8.09518572
  H     13.36836930     13.17518898    -14.95435489
  O     13.54638765      9.75321591    -11.79628281
  H     18.44395183      9.45996305    -16.35514670
  H     14.18752071     12.00062819    -15.54750402
  O     13.67039422     12.28957917    -14.77315008
  H     17.99364441      7.99407339    -16.69281779
  H     13.84254200      7.66531180    -16.37731640
  O     14.23587818      8.54808160    -16.38140997
  H     14.94947579      5.40778310    -15.61413986
  H     14.93438469      8.54897652    -15.70624410
          69
 Energy    -248.22255940685855     
  O     17.80258110      8.05487840    -12.36428903
  H     17.14940753      8.76743578    -12.45378018
  H     11.42679192     10.51012193    -14.21337431
  O     18.55049942      7.91225785    -15.05852156
  H     18.14988753      7.88984364    -13.24875071
  H     15.87479018      9.19520545     -7.26192408
  O     12.21611324     10.48889975    -10.75333798
  H     18.88670093      7.25543674    -15.66152694
  H     16.31533090      9.88771909     -5.95342729
  O     16.01620387      6.15998177    -11.36613832
  H     17.68916291      8.20435241    -15.40908469
  H     15.70932743     10.83402185     -9.70055106
  O     19.07060349      9.51152511    -10.38280390
  H     13.15519490     10.55589595    -10.52592045
  H     14.86745217      9.55421962     -9.47329948
  O     20.17981500     11.44929884    -12.10033700
  H     12.16433452     10.49767271    -11.71591974
  H     18.85767406      8.47437342     -8.84271020
  O     17.35448075     11.30638602     -9.07376073
  H     16.68722221      6.75012720    -11.73445040
  H     18.01385831      8.59374755     -7.55263380
  O     12.61929984      7.83500805     -9.87396649
  H     16.24835442      6.03826527    -10.43832018
  H     15.22540605     12.86068370    -13.05833543
  O     16.18693187      8.93411052    -15.90516593
  H     19.58027830     10.15550958    -10.89008949
  H     16.73867197     12.89807901    -12.61432338
  O     13.51767435      6.51175210    -12.28812390
  H     18.66741100      8.92160191    -11.03639549
  H     17.41383463      6.67686926     -8.45119807
  O     14.05947538      8.64864837    -14.02562133
  H     19.87481648     11.15340866    -12.97664375
  H     16.83438407      5.28967267     -8.08529776
  O     12.19672845     10.63088009    -13.66350569
  H     21.06331497     11.78832526    -12.21815450
  H     16.04446471     10.89631345    -12.83404359
  O     16.58670423      9.71465261     -6.85133439
  H     17.16365389     10.92971144     -8.20623743
  H     15.51009400     10.06958989    -11.63380611
  O     14.92656313     10.35775322    -10.00725711
  H     17.94065197     10.67737677     -9.52193755
  H     19.17286104      9.68075160    -14.71243056
  O     18.52196507      7.97218138     -8.08789626
  H     12.30073454      8.70981321    -10.13592618
  H     18.54687035     11.05824732    -14.97484644
  O     16.13149839     12.65737591    -13.33040406
  H     12.85690873      7.38209350    -10.69133558
  H     16.86922176     12.36546117    -16.41359350
  O     16.67792578      6.06234122     -8.62160430
  H     16.33118198      9.88947505    -15.90126188
  H     16.60808920     12.12186188    -14.90943335
  O     15.88744053      9.99728752    -12.52223577
  H     15.38086226      8.77110574    -15.40021840
  H     15.36303891      7.37625207     -8.40246695
  O     19.27672538     10.62051467    -14.52090811
  H     13.14211242      5.65744932    -12.48538129
  H     13.95381561      7.96353963     -8.71342792
  O     16.91600739     11.70070512    -15.73120378
  H     14.42117591      6.34974151    -11.95829218
  H     18.73075509     12.56893751    -11.56348752
  O     14.79635201      8.14610617     -8.26814065
  H     13.81942231      7.86546886    -13.51393336
  H     17.67932026     12.60163408    -10.44148902
  O     17.90943037     12.99748138    -11.29120559
  H     14.72735690      9.12192438    -13.50252673
  H     13.14418878     12.81881872    -11.69272067
  O     13.49144733     12.88340879    -12.58265176
  H     12.81176709      9.91115532    -13.87900996
  H     13.03528979     12.18516413    -13.07421248
          69
 Energy    -248.22233385718562     
  O     12.97310761     15.24570208    -10.89986925
  H     12.76119783     14.38608341    -10.49231478
  H     13.15522078     12.01065898    -15.50906232
  O     16.07387325      9.88555445    -11.00231993
  H     12.53196805     15.91440423    -10.38298995
  H     10.76151190     12.92752662    -15.00786834
  O     15.43799618     15.60768647    -14.78942080
  H     16.66878314     10.30014249    -11.64465255
  H     12.02497115     13.53171874    -14.34576487
  O     14.58565886      9.02546890    -15.05951829
  H     15.27477777      9.62165496    -11.48124816
  H     18.52339576     14.18174170    -13.18865278
  O     16.78563324      7.14680277    -11.41054068
  H     16.01089359     14.92823748    -15.19011891
  H     19.95103095     13.71517396    -13.56206649
  O     17.77318992      6.78331107    -13.92746848
  H     15.43552543     16.34416054    -15.39671409
  H     13.51574912     12.43169449     -9.54632270
  O     15.02986222     12.44892552    -13.07171256
  H     14.25231362      9.88171078    -15.35570193
  H     12.49387452     12.24462717    -10.68223618
  O     13.80615688      8.99322847    -12.42173685
  H     15.55178944      9.09476400    -15.09280654
  H     16.92878739     10.63582195    -16.45069663
  O     17.33189639      9.32668699    -15.06467047
  H     16.66240014      8.06055612    -11.12559707
  H     15.64838541     11.46731570    -16.67429657
  O     17.20614669     13.81524487    -15.75902787
  H     15.90176764      6.75914371    -11.44272918
  H     15.96684028      6.32676485    -14.46425443
  O     12.51609499     11.42157745    -12.28212552
  H     17.50133340      6.91232252    -13.00149885
  H     14.72596510      7.13026035    -14.89294142
  O     14.06272032     11.70154112    -15.60897987
  H     18.51938074      6.18976518    -13.91565680
  H     15.77440106     11.79347887     -8.44524094
  O     11.61093870     12.69900833    -14.64144158
  H     15.25395364     13.18393489    -12.48856104
  H     15.63184376     11.19694483     -9.86010039
  O     19.04045910     13.43411675    -13.53979668
  H     14.18761592     12.10115645    -12.75025185
  H     16.76934468     15.62792545    -13.38643334
  O     12.67348142     12.76026300     -9.88123625
  H     14.07952934      9.00004701    -13.35194692
  H     16.86475490     15.08485095    -11.95372954
  O     16.57733176     11.39547222    -16.93077951
  H     13.75902808      8.06783469    -12.15451658
  H     16.59377344     11.62468424    -13.11646349
  O     15.00493822      6.27735392    -14.53346300
  H     17.61589691      8.46176517    -14.74469991
  H     18.11888925     11.88774283    -13.13827921
  O     15.38626544     11.95302755     -9.30233166
  H     17.47077405      9.95784152    -14.34312996
  H     13.74671041     15.13435123    -14.08922233
  O     17.40078973     15.41753505    -12.68761882
  H     17.05538741     12.99763057    -16.25373770
  H     12.87942741     15.09739803    -12.80368625
  O     17.45828638     11.19428928    -13.01818453
  H     17.91208456     13.62978441    -15.13155524
  H     13.59464474      5.47165939    -11.74911703
  O     12.86663523     14.92199195    -13.75184798
  H     12.08612483     11.69487898    -13.10171435
  H     14.37866575      6.14784866    -12.90147166
  O     14.12056690      6.23631211    -11.96555216
  H     12.80058746     10.49952184    -12.35470893
  H     14.74669375     14.70343949    -10.88247502
  O     15.59899569     14.25451669    -10.95959036
  H     14.53579329     12.06028567    -14.84386991
  H     15.59400659     13.51694001    -10.33695470
          69
 Energy    -248.22210916589452     
  O     15.70234582     11.95961506    -10.52863216
  H     16.08500829     12.71788385    -10.09670050
  H     14.68233134      5.78897041    -14.54767463
  O     12.10496439      6.47304042    -11.48360858
  H     16.27592577     11.19807635    -10.32451467
  H     16.80162140      5.49547847    -13.43269201
  O     16.99206632      9.78428791    -14.92948104
  H     12.53550611      7.02652185    -10.81516511
  H     18.29871490      5.66265209    -13.74136544
  O     17.74559211      8.42137517    -12.51928966
  H     12.71129493      5.74358201    -11.65427708
  H     14.52209619      8.21383209    -11.53156236
  O     13.60569710      8.19770137     -9.94053931
  H     16.54648179     10.40545052    -14.33853560
  H     15.91540094      8.20810999    -12.25594211
  O     14.83694903      8.97893856    -16.49956351
  H     16.29215100      9.47747988    -15.52510340
  H     13.90551316     11.31478166    -10.43909769
  O     12.94235106     10.99920802    -16.20931613
  H     17.60369779      8.85096751    -13.37208916
  H     12.71353589     10.97778566    -11.36166463
  O     16.69807598      4.77820169    -16.77218024
  H     17.83942282      7.47320427    -12.68881324
  H     14.46350569      4.53338935    -12.84007563
  O     11.37904090      8.18238549    -13.45025162
  H     13.38102786      9.13955513     -9.99420472
  H     13.87576514      3.48716405    -11.86983764
  O     16.29059812      5.59391944    -10.55073277
  H     14.36876873      8.08294615     -9.36286351
  H     13.44617973     10.87933069    -13.36074379
  O     13.76217865      7.31088313    -14.59054247
  H     14.43923225      8.33136611    -15.89929835
  H     12.19774098      9.92154689    -13.37892996
  O     15.24910583      5.02037859    -14.38144897
  H     14.22036510      9.72233347    -16.53478349
  H     16.18877888      6.83876030     -9.34671605
  O     17.65043039      5.71020915    -13.02351670
  H     12.67656758     11.02648440    -15.27872979
  H     16.30728580      7.24541633     -7.85855318
  O     14.96406228      8.30838364    -12.38413029
  H     12.64483362     11.82275904    -16.58885395
  H     18.35626806      5.33481649    -15.90313735
  O     13.06785013     10.83503047    -10.47759781
  H     16.63351019      5.66053917    -17.18075107
  H     19.10533086      6.66569838    -15.70878241
  O     14.07421171      4.41697487    -11.95790873
  H     16.70431799      4.14545512    -17.48550347
  H     16.88976621      9.05261124     -9.55901913
  O     12.47906282     10.84617909    -13.41194756
  H     11.57913090      7.56591355    -12.72249014
  H     17.56912036      9.35044997    -10.91299963
  O     16.07447733      7.57768318     -8.72136653
  H     10.43822307      8.13676959    -13.59826347
  H     17.50118541      7.70563493    -17.45641176
  O     19.04621248      5.76055630    -15.37912410
  H     15.48766186      5.19056521    -10.90148329
  H     15.97102232      7.89432177    -17.47969595
  O     17.22448229      9.76875490    -10.11256062
  H     16.92754860      5.57125483    -11.27608205
  H     18.32698927      9.01334889    -15.85448231
  O     16.67990828      7.29717510    -17.75584892
  H     14.23959805      7.64760632    -13.81347477
  H     19.63678446      9.03083174    -16.67055655
  O     18.92052142      8.46470160    -16.39294514
  H     12.83440295      7.50711280    -14.41650498
  H     15.47286791     11.45922248    -12.29858703
  O     15.27264898     10.96117302    -13.10088641
  H     15.70453323      4.82344553    -15.20962067
  H     15.15427460     10.03885895    -12.82157778
          69
 Ord_Energy   -248.222015    
 O   0.402263969     -0.187347353       2.05252051    
 H   0.303673327     -0.415233493       1.10867214    
 H    1.27075434     -0.475838572       2.31779361    
 O   -2.76030803      -3.48467851       1.09784913    
 H   -2.57861543      -2.65965652       1.58420765    
 H   -2.70316029      -4.19365835       1.73261571    
 O   -4.70174026      -2.16905069     -0.420025051    
 H   -4.20926285      -2.78133678      0.138564169    
 H   -4.06058121      -1.48081696     -0.655977845    
 O   -7.03228712     -0.691195667     -0.142265260    
 H   -6.24930286      -1.26490200     -0.155254915    
 H   -7.78069162      -1.27036357      -2.06428505E-02
 O   -5.20205402       3.37272453      -3.51041198    
 H   -4.32583570       3.53698325      -3.13984203    
 H   -5.64687347       2.76995325      -2.89944124    
 O   -5.37556505       2.05484962      -5.86159754    
 H   -6.19212532       2.29160213      -6.29378033    
 H   -5.31835270       2.59776330      -5.05344486    
 O   -2.58001494       3.37192249      -2.34903860    
 H   -1.82282317       3.61084628      -1.79910219    
 H   -2.23097491       2.79391217      -3.04384732    
 O  -0.845550358       2.31589222       1.63761115    
 H   -1.74433458       2.11190271       1.92129278    
 H  -0.323421836       1.53064549       1.84512353    
 O   -1.48558843       1.69539547      -4.28671837    
 H   -1.80380952      0.788245857      -4.16834021    
 H   -1.78295457       1.97803295      -5.16125727    
 O   -3.50153160       1.43231606       2.20211482    
 H   -3.77274013       1.70239890       1.30830860    
 H   -4.17334414       1.75388515       2.79834199    
 O   -2.78477836     -0.291273713      -1.03118491    
 H   -1.88126600     -0.382965684     -0.702883959    
 H   -3.11804271      0.579737365     -0.786931336    
 O   -4.04155302       2.09559274     -0.384386063    
 H   -3.53062177       2.62670636      -1.01072025    
 H   -4.83686972       1.79771137     -0.849404454    
 O   -2.51715159     -0.776496232      -3.70909691    
 H   -2.39168262      -1.72611570      -3.81386328    
 H   -2.58354998     -0.609860420      -2.75537157    
 O   -1.01983094      -3.21587348      -1.21004450    
 H   -1.60745561      -3.38981724     -0.464200765    
 H   -1.52379179      -3.41341734      -2.00814676    
 O   -2.24294639      -1.15282011       2.38942552    
 H   -2.75838757     -0.339731425       2.33315897    
 H   -1.31798816     -0.876172066       2.40410662    
 O   0.440069616       1.31279922      -2.25493383    
 H   -8.16254020E-02   1.43995619      -3.05777597    
 H   0.290388167       2.10425973      -1.72384667    
 O   -2.56833792      -3.58712506      -3.60425496    
 H   -2.49413896      -4.28372717      -4.25092983    
 H   -3.51927662      -3.44670773      -3.44861031    
 O   -5.16108084      -2.91867304      -3.09597874    
 H   -5.10823250      -2.72839189      -2.14892793    
 H   -5.37648821      -2.08115792      -3.52473950    
 O   -6.12850285       1.19746077      -1.93227386    
 H   -5.83338833      0.652760506      -2.67575383    
 H   -6.58061123      0.605149925      -1.31535995    
 O   -5.20967484     -0.247616857      -4.15643978    
 H   -5.31182051      0.418426931      -4.84557629    
 H   -4.25761843     -0.403524548      -4.06750154    
 O   -2.69953799       2.38147616      -6.67620945    
 H   -2.65961814       3.03056884      -7.37456703    
 H   -3.63987446       2.25537658      -6.48031759    
 O   -6.49344400E-02 -0.742493808     -0.524539828    
 H   0.191209078     -0.124720573      -1.22558868    
 H  -0.251755327      -1.62219572     -0.883853972    
 O  -0.327228755       3.61597276     -0.684659302    
 H  -0.516602159       3.17605495      0.162942737    
 H   0.244305447       4.35338736     -0.486977220    
          69
 Energy    -248.22190002663135     
  O     -2.86076622      4.76004230      4.96275615
  H     -2.57405744      4.03395514      5.52914193
  H     -6.03147199      5.11683003      4.92334987
  O      1.06542720      1.43328323      0.84681926
  H     -2.34184495      4.68542256      4.15038573
  H     -3.11576598      3.75756947     -0.15866411
  O     -3.86168545      0.65638578      0.45173121
  H      0.62974363      1.76941910      0.05510160
  H     -1.93033276      4.12113748      0.77387767
  O     -2.13381518     -2.96637035     -1.26285635
  H      0.80457486      0.50542936      0.92930194
  H     -6.01710632      3.52192307      2.89139045
  O     -0.00804099     -1.13360645      1.04774871
  H     -4.27048925      1.44813495      0.08259188
  H     -6.30771854      2.05872077      2.45849137
  O     -6.21966132      0.41313011      3.27531346
  H     -3.12443616      0.39858188     -0.11851231
  H     -2.10331574      3.26704504      2.66406503
  O     -2.23884461      2.31696045      6.42480416
  H     -2.10838470     -2.00307432     -1.33038127
  H     -0.62615776      3.70171731      2.80163764
  O     -1.66516621     -0.17619677     -0.97956619
  H     -2.85973066     -3.18950584     -0.66677517
  H     -5.39467873      3.14382530      0.62635396
  O     -4.28940529     -1.40527763      2.20227586
  H     -0.57003856     -1.25717214      1.82515702
  H     -5.54071451      3.43241423     -0.88629556
  O     -1.64014210     -4.19913333      2.23720595
  H      0.21233151     -2.01340561      0.71726825
  H     -2.60040898     -1.41632029      3.00121975
  O     -0.44456461      2.30523854     -1.42739795
  H     -5.66782926     -0.31942314      2.97589235
  H     -1.40312995     -0.81999264      3.81471763
  O     -5.52093154      4.42094751      4.51813039
  H     -5.82541861      0.71660491      4.10452846
  H      1.02375863      2.24265375      2.34691988
  O     -2.16683572      3.93144718     -0.14312822
  H     -1.90840235      2.13200706      7.30041487
  H      1.77820560      3.01598946      3.45549207
  O     -6.18668162      2.96086786      2.12685576
  H     -1.70907749      1.78585300      5.80810285
  H     -0.19250700      1.43938153      4.09040182
  O     -1.51050705      4.03375456      2.60396189
  H     -1.09677452     -0.50759270     -0.26805214
  H     -1.68889109      1.16720411      3.82068837
  O     -4.91415493      3.15763820     -0.22246172
  H     -1.25834879      0.64277191     -1.28960843
  H     -3.97373414      1.90790905      5.74486761
  O     -1.67343480     -1.55119704      3.24740196
  H     -4.22074571     -0.71760186      1.52176437
  H     -5.13352365      2.68903914      5.08225307
  O      0.92195202      2.67240947      3.21657986
  H     -4.31033811     -2.25027492      1.73684333
  H     -3.15234991     -4.05959719      1.34864993
  O     -0.95014376      0.93162619      4.40764923
  H     -0.93352179     -4.16949601      1.58009188
  H     -4.48535781     -4.60848150      0.78378202
  O     -4.76104642      1.80375972      5.19834802
  H     -1.57022618     -3.37921086      2.74512151
  H      0.70536214     -4.28319028     -0.50498417
  O     -3.93299120     -3.83154342      0.81221644
  H     -0.09836812      2.76294210     -2.18849228
  H     -0.64949587     -3.53166486     -0.51988947
  O      0.12917452     -3.74243111      0.02753017
  H     -1.06555574      2.91599344     -0.99010114
  H     -3.78342394      1.75172439      3.49636158
  O     -3.04210013      1.75818010      2.87990830
  H     -4.58306451      4.64788561      4.64816930
  H     -3.33952420      1.38420723      2.04180795
          69
 Energy    -248.22150618697464     
  O     -6.29498235      3.79519903     -0.12510899
  H     -7.09459013      4.29035622      0.02876479
  H     -4.92884810     -1.02223650      1.93082268
  O     -2.18503039      4.78341282     -2.70926185
  H     -6.15469362      3.23496152      0.66058409
  H      0.39459241      0.63977243      1.08418322
  O     -5.74969367      2.25344778      2.02625226
  H     -2.30573541      5.69963170     -2.94390831
  H      0.27537558      2.14161433      1.45297069
  O     -1.50079214     -2.22215901      0.13450399
  H     -2.68837156      4.63097635     -1.88995646
  H      0.19760443      3.55365015     -0.30025979
  O     -1.56290636      0.68877437     -2.16835367
  H     -5.01820524      2.53199453      2.58958954
  H      1.33836754      3.83848822      0.70949355
  O     -3.53653659      2.38388458     -3.54880327
  H     -5.74870019      1.28892360      2.00621056
  H      1.97447651      1.36831407      2.58920427
  O     -3.00764232     -1.67784417     -2.27113085
  H     -0.68102493     -1.72942856      0.01740603
  H      3.25778466      0.80514216      3.22492860
  O     -0.05650843      3.06455466     -2.06411847
  H     -1.96345861     -2.17034047     -0.71038070
  H     -6.10932368      2.53597446     -1.57423432
  O      0.56017495     -0.25268238     -0.49049687
  H     -2.00433894      1.00100442     -1.35960125
  H     -5.16204276      2.08094812     -2.72033120
  O      2.36388334      1.67775318     -1.33142955
  H     -1.96494050     -0.16395563     -2.38194254
  H     -2.60618429      1.66789575      3.13302830
  O     -3.33379564     -1.58392751      2.15569503
  H     -2.87151827      1.75061544     -3.25925278
  H     -1.29875910      1.01641807      2.55531310
  O     -5.79303946     -0.60778789      1.74680341
  H     -3.12247943      3.24854109     -3.44411592
  H     -5.41231994      0.36226897     -1.37898869
  O      0.32782491      1.25216136      1.83095283
  H     -3.75939033     -1.27670055     -1.79912628
  H     -5.38418707     -0.49895013     -0.05758200
  O      0.37873373      3.76989341      0.62529822
  H     -3.37254508     -2.27569905     -2.91792460
  H     -3.69886916      0.84559224     -0.21617058
  O      2.89584263      1.58284557      2.80797190
  H     -0.66544725      3.74204533     -2.38488935
  H     -2.72203011      1.21935567      0.93913337
  O     -5.92204734      1.81280372     -2.18293294
  H     -0.50220370      2.21923121     -2.20994944
  H     -1.13338860      4.44504230      1.50494847
  O     -2.24583981      0.88365530      2.70200575
  H     -0.14402888     -0.01965141     -1.10778295
  H     -2.58543055      4.62956519      1.03600455
  O     -4.94953585     -0.34822314     -0.90517100
  H      1.32637406      0.26993504     -0.77272412
  H     -4.51627965      4.16530416     -0.37528950
  O     -2.97239754      1.43333344      0.03224241
  H      2.76831270      2.23449178     -0.65601476
  H     -3.33035351      3.17733638     -0.29551033
  O     -2.02091727      4.65687227      1.82060023
  H      1.68692595      2.22847733     -1.74517545
  H     -3.56804241      3.66286532      4.40557079
  O     -3.55546861      4.10803522     -0.44876590
  H     -2.72084011     -1.92050977      1.48820348
  H     -2.95557639      3.78600006      2.98921921
  O     -3.49579333      3.21624496      3.56640764
  H     -2.92030478     -0.77940768      2.50060309
  H      3.95874387      3.98355343      0.92086524
  O      3.18304339      3.43751653      0.82472792
  H     -6.45442798     -1.15389529      2.16272697
  H      3.19084192      2.80458351      1.56356008
          69
 Energy    -248.22138544244348     
  O     11.27474325      9.66042488    -12.63891829
  H     11.81202885      9.96614810    -13.38153588
  H     15.93642743      7.71107443    -10.77582775
  O     17.36742369     10.02667062    -12.25058092
  H     11.08299148      8.72662507    -12.78908297
  H     13.27838423      2.97738729    -12.20191115
  O     15.07794515      4.78404698    -13.96950716
  H     17.96471286     10.76332526    -12.15187555
  H     14.17234889      3.79390808    -11.22514685
  O     16.51394907      1.66194204    -12.00663902
  H     16.46695979     10.39716627    -12.26680486
  H     14.07898356      7.74596866    -14.17822058
  O     17.20255437      8.27671020    -14.51341291
  H     14.80033312      4.14689790    -13.29855199
  H     14.20459847      6.29974485    -13.63243404
  O     14.71622547      8.75396200    -15.54156966
  H     15.94681590      5.11833541    -13.70836673
  H     12.16504928     10.02942799    -11.19893173
  O     14.82817636     10.99460707    -12.30331563
  H     16.37511420      0.86196058    -12.50681854
  H     12.31438064     10.66604662     -9.79357707
  O     11.54187555      3.13412100    -12.59026681
  H     15.64683744      2.09600003    -11.94916162
  H     14.47740793      6.78985313    -18.42691843
  O     13.11458713     10.69585846    -14.57390816
  H     17.39007473      7.40401845    -14.14729306
  H     13.81367355      6.25176565    -17.14858863
  O     18.31892189      3.62900859    -11.48266376
  H     17.34276639      8.90214556    -13.79133028
  H     12.50649683      4.78466536    -15.77091808
  O     16.73075653      5.09159465     -9.54949835
  H     15.63734708      8.61185579    -15.27618685
  H     14.02512187      4.72048043    -15.49617666
  O     16.89771827      7.62396763    -10.85591661
  H     14.52503115      8.20575681    -16.31647849
  H     17.22883328      6.46370980    -12.24905474
  O     14.19325899      3.12184147    -11.91918605
  H     14.29386251     10.98481340    -13.10663197
  H     17.86200594      5.09549204    -12.57205325
  O     13.79143637      7.15867407    -13.46892883
  H     14.21225781     10.81426434    -11.58358012
  H     10.01361578      4.85728841    -15.28143333
  O     12.78775684     10.18295178    -10.46461098
  H     11.31050918      3.75255795    -11.88583020
  H     10.85437060      5.57602393    -14.20391469
  O     14.10067745      7.06637499    -17.59588152
  H     11.28516960      3.56748932    -13.41323517
  H     13.66981145      8.57376197    -10.58689126
  O     13.36929503      4.83881715    -16.19692230
  H     12.91110248     11.34599944    -15.24147356
  H     14.03390723      7.63834798    -11.78179061
  O     17.43791801      5.86154167    -12.97804494
  H     13.68502559     10.03034476    -14.99756114
  H     11.13429800      6.34327464    -12.07189805
  O     10.83959798      4.81376424    -14.80516378
  H     17.72571734      2.88430503    -11.68213306
  H     12.08277711      6.94198845    -13.14705776
  O     14.13536139      7.76452436    -10.82556103
  H     19.17152440      3.25373319    -11.27809271
  H     12.23324169      5.11623797    -10.27540440
  O     11.14783145      6.81590754    -12.91349473
  H     17.28762442      4.53046104    -10.10120882
  H     10.77386658      5.14176755     -9.77852721
  O     11.30892035      5.17399037    -10.56823977
  H     16.92215884      5.99602091     -9.83186934
  H     13.99542471      6.09231711    -10.24729834
  O     14.01672936      5.15827874     -9.98870609
  H     17.20231960      8.45999640    -11.22912579
  H     14.92352109      5.00516785     -9.68459096
          69
 Energy    -248.22117184599330     
  O      1.49997339     -3.02494989     -3.29530445
  H      1.59362128     -2.88131532     -4.23344778
  H      3.31525123     -2.01759901      1.38057882
  O     -1.28692439     -0.38107182      2.77207597
  H      2.39922433     -3.01950312     -2.92043475
  H     -1.89440980     -7.17134929     -0.65626200
  O     -1.71334613     -4.14175813      0.11798177
  H     -2.04588480      0.12242194      3.05211227
  H     -0.60730548     -6.70243998     -1.36071150
  O      3.67741795     -5.39944783      3.85904148
  H     -1.47426222     -0.66446819      1.86011388
  H      2.05997421     -5.69847984      0.83896086
  O      4.94936618     -0.75594764     -0.57127600
  H     -1.08707019     -4.37710557     -0.58038428
  H      3.13011365     -5.35416198     -0.25610480
  O     -2.14429347     -7.02470629      2.57591297
  H     -2.40962343     -4.80979755      0.10252995
  H     -0.27609373     -3.84709669      3.03252111
  O      1.51992182     -6.37374284      2.44125001
  H      2.91370593     -5.78884484      3.40329806
  H     -0.96682934     -4.43350264      1.77250086
  O     -1.67875678     -1.31865036      0.23352514
  H      3.86199450     -5.96114631      4.60831460
  H      5.00985980     -3.43018596      1.78194782
  O      2.63999483      0.74474927     -1.19538549
  H      4.75072523     -1.05903005      0.33207692
  H      4.84186465     -4.77707454      2.50486884
  O      0.63482978     -1.15177337     -1.36192871
  H      5.87167880     -0.51269804     -0.58391308
  H      0.99278768     -2.36302618      2.39246496
  O      1.76108706     -2.58368510      0.75453424
  H     -1.69397603     -6.19695480      2.79673824
  H     -0.03382490     -1.56778548      3.24015998
  O      4.15053585     -1.77055236      1.80918602
  H     -1.44668604     -7.63641076      2.31196840
  H      2.28973933     -2.39879017      4.10519505
  O     -1.00668176     -7.45621979     -0.90802243
  H      0.78986068     -5.74727228      2.56952864
  H      3.36821596     -3.48855809      4.25039159
  O      2.20610352     -5.24561611     -0.00135699
  H      1.12220701     -7.20033383      2.13918814
  H     -0.27225684     -8.15278648      0.52051774
  O     -0.61607862     -4.66421963      2.64451887
  H     -0.95706599     -1.14153385     -0.38369972
  H      0.12797094     -9.43761242      1.28166016
  O      5.29607192     -4.35303783      1.76652006
  H     -1.81022782     -2.27520842      0.20656599
  H     -4.34498250     -6.56410278      0.25220414
  O      0.61595357     -2.28441427      3.28195212
  H      3.47253964      0.28943469     -1.00394866
  H     -3.06774916     -6.65419515      1.12344296
  O      3.23267925     -2.53479172      4.27906168
  H      2.62203725      1.50918033     -0.62256845
  H      5.54677797     -5.90678881     -0.97546320
  O      0.05123018     -8.49191056      1.37469451
  H      1.27791666     -0.42797868     -1.36837388
  H      5.13882714     -4.94751395      0.17282666
  O     -3.40583804     -6.40249879      0.24521201
  H      0.84083175     -1.72797732     -2.10749351
  H      0.89696132     -5.17280395     -1.16306455
  O      4.90645015     -5.24673820     -0.72590136
  H      1.90587851     -3.48851494      0.45162055
  H      0.49224608     -4.39019807     -2.42463014
  O      0.16016038     -5.02084765     -1.77650684
  H      1.32992881     -2.09446816      0.04264369
  H      4.35147122     -3.74685844     -1.74033008
  O      3.97484522     -2.96631622     -2.16461943
  H      3.98024900     -1.86302821      2.75725456
  H      4.31494551     -2.20598971     -1.67957853
          69
 Energy    -248.22084761158453     
  O     12.18333132     11.22793604    -14.53963290
  H     11.66908300     10.74637935    -13.88221505
  H     19.12439705      7.43817069    -14.38821186
  O     15.48597177      6.13831538    -13.97799668
  H     12.55096339     10.56329766    -15.14023605
  H     16.80967330     11.46454970    -15.65564070
  O     16.83357976      9.69238752    -10.56189803
  H     16.22946540      5.81013717    -13.45934519
  H     15.50268009     12.26431359    -15.43598487
  O     17.92393354     10.25786293    -14.81321811
  H     15.59558886      7.09781514    -14.07612495
  H     16.32308027      9.30760577    -14.60555942
  O     12.10813969      6.89534386    -16.31659303
  H     16.23659899     10.13464642    -11.18533977
  H     14.82487253      9.01880212    -14.97450725
  O     14.90496601      8.89830034     -8.71325104
  H     16.32295323      9.58771086     -9.74823967
  H     11.58590380      9.56771138    -11.88744686
  O     13.75029733      6.66116897    -11.87858953
  H     18.29806234     10.23057082    -13.92420215
  H     10.07329118      9.85139618    -12.02865038
  O     15.01072672     10.68981834    -12.33509253
  H     18.39224440      9.59368053    -15.33762759
  H     16.41992622      7.77519374    -10.58121181
  O     16.70661685      7.87126161    -17.49958937
  H     11.89834591      6.91845141    -15.36561377
  H     16.66909910      6.29374103    -10.92876384
  O     19.01000900      8.07020840    -16.16283017
  H     11.33371179      6.55882499    -16.75908703
  H     12.21124523      6.84405636    -12.99882974
  O     14.82113107      6.01981054    -16.68151390
  H     14.15483972      9.07020120     -9.29698610
  H     11.22718264      7.97408267    -13.35229324
  O     19.16384213      7.25066658    -13.44214156
  H     15.18684319      8.00054534     -8.92638012
  H     18.27723750      9.77145529    -11.56159114
  O     16.08610052     11.91038845    -16.11730106
  H     14.21219377      6.42140359    -12.69502386
  H     19.71472928     10.28607834    -11.79086315
  O     15.51325351      8.87262250    -14.31024739
  H     14.45053134      6.64803989    -11.21204735
  H     18.07757408      4.55140932    -12.22496808
  O     10.86388605      9.66931917    -12.53066193
  H     14.82205214     11.50834306    -12.80717030
  H     18.23746014      6.02348947    -12.68138239
  O     16.11367141      6.87768351    -10.39680581
  H     15.14047999     10.00488391    -13.00979284
  H     15.54107327     10.90928214    -17.42438313
  O     11.57500142      7.13061519    -13.66539388
  H     16.22324941      8.65512204    -17.78039996
  H     15.15307640     10.71731645    -18.91146341
  O     18.99538231      9.82427008    -12.21481052
  H     16.04775652      7.19487584    -17.28282332
  H     13.71058272      9.82246959    -11.41187405
  O     17.62341716      5.38836879    -12.26990651
  H     18.18243356      7.93683253    -16.66203227
  H     13.27824815      8.33536662    -11.29768156
  O     15.21515438     10.26193144    -18.07648532
  H     19.72431196      7.95009146    -16.78242172
  H     13.49082421     12.29823734    -14.23244094
  O     13.08123360      9.22824648    -10.97735507
  H     13.87651698      6.20787596    -16.65775472
  H     14.05072002     13.70808282    -13.91616053
  O     14.30648285     12.79840651    -14.04158173
  H     15.07522761      5.89599835    -15.75588895
  H     13.93751192      9.60280740    -16.92244053
  O     13.44668713      9.33665080    -16.13444401
  H     19.18202224      8.10499151    -12.99424425
  H     12.98393230      8.50939258    -16.31904721
          69
 Energy    -248.22084272498248     
  O     15.58317587      9.29463124    -15.48607152
  H     16.40792468      9.45591708    -15.97865875
  H     18.64960259     11.65251936     -9.60965077
  O     19.40431309     13.35014090    -10.05711623
  H     15.06236430      8.68855120    -16.00598646
  H     21.20898348     16.50321484    -12.89206094
  O     14.85454177     12.75677004    -12.17196247
  H     18.68865443     13.51379230    -10.68916258
  H     19.69110128     16.29528001    -13.08647056
  O     20.56716515      9.22549889    -10.64212406
  H     19.80657457     14.20680638     -9.87139469
  H     20.76836293     12.34892961    -10.70477668
  O     15.94476201     10.29444747    -11.06665779
  H     13.96217946     13.06026748    -12.02873665
  H     21.32054496     10.90422294    -10.80641791
  O     20.66435517      9.78077596    -15.71332356
  H     14.91927261     12.51004353    -13.11175137
  H     16.54097256      9.06220030    -13.89831519
  O     21.16036925     14.08405464    -14.83290543
  H     20.32730877      8.90581992    -11.52875556
  H     16.67036048      9.43521498    -12.38473508
  O     20.72021164     15.82683439     -9.93099894
  H     20.83546671      8.46004199    -10.13992767
  H     20.47692695     11.70247144    -16.82501943
  O     21.26156762     11.55523506    -13.75643955
  H     15.53866798     11.13210219    -11.31187817
  H     20.69229945     13.16377668    -16.38156427
  O     15.18224302     12.05289990    -14.79105767
  H     16.69725582     10.49490479    -10.48867951
  H     22.96936201     15.19281155    -12.60106121
  O     17.92772756     10.01748782    -16.64033341
  H     20.96900680     10.37996566    -15.00852319
  H     23.73369486     16.15757372    -13.54298351
  O     18.28759340     10.75928280     -9.65525937
  H     21.43679184      9.33416613    -16.05386509
  H     18.20757398     14.66683334    -13.30577240
  O     20.34736324     16.67970565    -12.49342177
  H     20.30606016     14.43690811    -14.54705478
  H     18.17837139     14.59621648    -14.83774618
  O     21.51201010     11.82277648    -11.03608928
  H     21.84280479     14.65584491    -14.45995659
  H     22.23080721     14.82242903    -10.56846354
  O     17.15863384      9.11535389    -13.16090565
  H     20.51739514     16.18420191    -10.81382275
  H     22.57025896     13.39870605    -11.05480246
  O     20.21475628     12.60673453    -17.01417622
  H     20.69942424     16.56157461     -9.32382913
  H     18.83622657      8.51106436    -13.12969180
  O     22.89728556     15.71804164    -13.41901296
  H     21.45069505     11.61711279    -12.81067571
  H     20.09007455      8.68020102    -14.00731407
  O     18.61639844     15.03776169    -14.10290001
  H     21.29288616     12.45295769    -14.11689751
  H     19.41084361     11.45725983    -13.50359615
  O     22.85793596     14.31907476    -11.10354716
  H     15.90925857     12.45296311    -15.28281350
  H     18.03408774     10.71271909    -13.38168743
  O     19.80128078      8.40611878    -13.13449619
  H     15.19341066     11.11472518    -15.01757597
  H     18.53120692     12.89103660    -16.39585639
  O     18.45418369     11.57253170    -13.51262572
  H     18.82261422      9.83038625    -16.33412362
  H     17.96863873     12.40750341    -15.03038586
  O     17.72545616     12.85422463    -15.85908773
  H     17.83058214     10.97525132    -16.58852772
  H     16.53723185     13.48615894    -11.94663646
  O     17.48942245     13.62634775    -12.01253808
  H     19.01348731     10.19407254     -9.94245367
  H     17.83896730     12.84567263    -12.47377661
          69
 Energy    -248.22047715097472     
  O     11.79227653     10.44441954    -14.06940259
  H     11.85205125      9.69351464    -14.68021488
  H     20.54255695      8.75355869    -15.94486104
  O     16.25476465      6.77026875    -13.36922022
  H     12.41959802     11.09773496    -14.39277362
  H     14.76493316      9.52058873    -13.70701868
  O     17.69882611     10.82737634    -12.40929139
  H     15.77922578      7.48246240    -13.82724030
  H     13.95501205      8.62850648    -14.71209292
  O     15.82978045     10.48487098    -16.35686629
  H     15.92913190      6.80083622    -12.46039366
  H     11.55913840      9.70176512    -12.50891901
  O     12.43839269      5.62952337    -14.56450026
  H     17.84936060     10.94284280    -11.46308569
  H     10.54259265      9.30667844    -11.41361328
  O     15.53931057     10.58275121     -8.39119191
  H     17.97576912      9.92294549    -12.62145338
  H     18.29747279      7.96873312    -11.14293680
  O     15.23692696      7.34245076    -10.80908577
  H     15.54461682      9.82282686    -15.70460312
  H     17.98600008      8.87358316     -9.94374337
  O     14.97702823     11.04082171    -12.65405116
  H     16.64379216     10.88361835    -16.00841917
  H     13.59864499      6.77002790    -11.61867331
  O     15.75409966      6.41472280    -17.83162861
  H     11.79009412      4.93245343    -14.51125613
  H     12.28315516      7.51622005    -11.94296299
  O     17.65908775      8.39114079    -17.21902757
  H     12.56490708      5.96466073    -13.65776060
  H     18.79879035     10.60673775    -15.32019988
  O     15.11839193      5.30731975    -15.45929472
  H     15.25524596     10.15290371     -7.58796640
  H     18.04412077     11.33259730    -14.19855314
  O     19.69956548      8.89331434    -15.52223189
  H     14.88608622     10.34130195     -9.06773062
  H     17.83008685      7.65782477    -13.22476919
  O     14.84103610      8.85042751    -14.39832196
  H     16.14768323      7.46547419    -10.50210585
  H     19.05347825      8.39114682    -13.84456452
  O     11.45645016      9.21689131    -11.67064816
  H     14.79676025      8.18970011    -10.66229634
  H     18.59113691     11.23157461     -9.02234286
  O     17.88650770      7.97150005    -10.26837039
  H     15.94495507     11.04591809    -12.60750347
  H     17.11773730     10.78025252     -9.14386923
  O     12.77011014      6.69983387    -12.10821713
  H     14.69416917     11.61745951    -13.37243397
  H     14.58335832      9.39690356    -17.55618454
  O     18.14817254     11.30128615    -15.15864542
  H     15.53723509      5.98317294    -16.98563948
  H     14.58466607      7.89019604    -17.88620337
  O     18.56776870      8.25210997    -13.02276867
  H     15.80666211      5.72476143    -18.48738484
  H     12.99209725      9.64378903    -10.72239590
  O     17.97298898     10.79970742     -9.60645577
  H     17.09674604      7.64172738    -17.45063354
  H     14.28358131     10.33566700    -11.20825907
  O     14.00734445      8.65871770    -17.78052597
  H     17.06256335      9.13741047    -17.09487022
  H     14.58022932     11.66590332    -15.61867863
  O     13.90324910      9.83393958    -10.47013144
  H     14.19299093      5.32707762    -15.18707961
  H     13.90378031     13.03984750    -15.44175825
  O     13.98362105     12.17404860    -15.04786453
  H     15.62056216      5.65074449    -14.70795830
  H     12.83763726      8.32933618    -16.45564636
  O     12.37969622      8.24340758    -15.60561492
  H     19.01597206      8.62429321    -16.16235358
  H     12.31531273      7.30795560    -15.37864929
          69
 Energy    -248.22044708101856     
  O     11.60444338      9.94902571    -11.15446768
  H     11.21319878      9.19118889    -11.60611347
  H     14.73402226      5.11120814    -17.67933616
  O     14.04893931      7.04003753    -14.78920671
  H     11.96620416     10.51264782    -11.85013602
  H     17.73324571      6.49626582    -15.31425282
  O     17.58625179     11.48891464    -11.30763018
  H     14.34916570      6.51688373    -15.54066173
  H     16.81893749      6.13442849    -16.50929232
  O     17.66523849      8.88054421    -17.67198220
  H     14.74685089      7.67675561    -14.56522428
  H     15.43267056     11.59367738    -15.59854620
  O     11.96903541      8.79750931    -14.86863304
  H     16.68930865     11.15492844    -11.47906349
  H     14.04389902     11.34970643    -16.21838665
  O     16.37804527      7.50382251     -9.68666296
  H     17.48691534     12.35428165    -10.91914312
  H     16.30325853      9.43298085    -14.59086811
  O     13.47881266      6.38440396    -12.18570333
  H     18.37148668      8.88449206    -18.31272304
  H     15.68276662      9.30046992    -13.17500289
  O     15.14333777     10.38489116    -11.82887202
  H     17.74731748      8.05123853    -17.16750810
  H     19.47225708      8.41057078    -11.67744873
  O     14.91963161      8.24870985    -18.16901476
  H     12.70378869      8.16553997    -14.92676149
  H     20.79988404      7.95687414    -12.33424638
  O     16.06600751      5.37384763    -11.62630661
  H     11.38302460      8.43422918    -14.19578774
  H     10.20650211      6.91752856    -12.30809939
  O     17.06239028     10.69053486    -15.62539008
  H     16.31636659      6.72724967    -10.25425048
  H     11.74441571      7.02328694    -12.34867043
  O     15.02161475      5.79128936    -17.07700529
  H     15.49212827      7.88722965     -9.67921882
  H     18.55669566     11.00896218    -12.86847296
  O     17.65944453      6.54715548    -16.27507770
  H     14.26541081      5.91149875    -11.88672823
  H     19.33944317      9.78818303    -13.38068680
  O     14.51044411     11.88212211    -15.56357153
  H     13.64273119      6.56631839    -13.12396402
  H     18.49065085      7.10658804    -13.12925127
  O     15.92960583      8.80072641    -13.96304228
  H     14.40642432     10.72000647    -12.35941836
  H     17.06309299      7.48565049    -13.59272608
  O     19.87860869      8.11933360    -12.51599723
  H     14.77214185      9.74769522    -11.20428436
  H     17.85164421      8.49475328    -10.02761711
  O     10.92315237      7.50024392    -12.54897374
  H     14.29227942      8.91153643    -17.85689875
  H     18.29350342      9.89835930    -10.51826861
  O     18.95652254     10.62707643    -13.66074470
  H     15.80620092      8.61966164    -18.07834880
  H     12.24552217     10.41551476    -17.71471298
  O     17.65275133      6.73216320    -13.43296908
  H     16.41751693      4.50233251    -11.46042688
  H     12.49107657      9.63895307    -16.40524927
  O     18.61484029      9.00917698    -10.32925952
  H     16.65027277      5.78886275    -12.28305386
  H     13.69250082      7.76586898    -10.92391085
  O     12.93495814     10.04942641    -17.16426366
  H     17.80497660     10.74888918    -15.00319602
  H     13.01166017      9.04803974    -10.39610696
  O     13.80356651      8.49849636    -10.30345716
  H     17.34853340     10.16584096    -16.38315081
  H     13.51828631     11.51178745    -14.11060354
  O     13.00133230     11.04843180    -13.43331703
  H     14.94180302      6.64240114    -17.54793787
  H     12.63214941     10.27803514    -13.88303393
          69
 Energy    -248.22040932913623     
  O      2.89869357     -0.98437180     -1.29243159
  H      2.90051289     -0.63718035     -2.19737624
  H      6.56307678      0.37868773      1.26874465
  O      7.62121156      2.63370896      2.98755465
  H      2.93475072     -0.20580729     -0.72176706
  H      8.02726262     -0.66864886     -2.86659020
  O      6.62540278     -3.32782046      0.72617296
  H      7.41885909      1.70995859      2.75954838
  H      6.66272529     -1.38855980     -2.79198435
  O      5.82891996      2.99245801     -3.26352301
  H      8.31094918      2.61038955      3.64608153
  H      6.31720226      0.13169217     -4.40855971
  O      9.33062332      0.05009047     -1.63687473
  H      7.42358793     -2.77084294      0.68593631
  H      5.89274915      0.54717757     -5.83776372
  O      3.38557078      1.40417417      0.20299727
  H      6.91846948     -4.23005607      0.82170794
  H      3.84638043      3.13557600      0.78232182
  O      7.81346412      2.32155474     -1.47857178
  H      4.94574430      2.93949040     -2.87136441
  H      3.81005052      4.62905743      0.38530266
  O      3.16822463      0.41612451     -3.63997347
  H      5.85565574      2.30934933     -3.94589864
  H      4.32394670      5.62500309     -1.45054663
  O      6.03964848      5.42417961     -1.78187308
  H     10.23066785      0.22217478     -1.90407783
  H      2.98041515      6.39405460     -1.37570043
  O      2.51175204     -2.41038205      1.08030879
  H      8.88663906      0.91324101     -1.58136318
  H      6.54555156      1.16987401     -0.84133285
  O      3.33456676      0.64868248      2.79082122
  H      3.22167694      1.12556390      1.11834416
  H      5.86974352     -0.24465682     -0.79491353
  O      6.89338759      0.13495971      2.14771793
  H      4.30212006      1.15864346     -0.00767196
  H      4.02057954     -2.03373144      2.01899457
  O      7.25159289     -0.90291014     -3.38730445
  H      7.21005519      2.56665271     -2.19530744
  H      5.50072963     -2.39783814      1.95313535
  O      5.74966680      0.74012997     -4.91505566
  H      7.63395494      2.92049353     -0.73929675
  H      6.00079419      3.98457587      0.70984840
  O      4.18867845      4.00763155      1.01846671
  H      3.03710181      1.31227866     -3.30458687
  H      7.32517505      3.63066921      1.40376201
  O      3.38225389      5.54507662     -1.21386092
  H      3.99603008      0.44396267     -4.13342215
  H      8.92427538     -1.02561749     -0.11265078
  O      5.91185923      0.62075316     -0.36675218
  H      6.52537686      5.11472463     -1.00820831
  H      8.22392280     -0.90043808      1.26170579
  O      4.88130832     -1.81078303      2.40493067
  H      6.08984476      4.71108970     -2.43243096
  H      3.16191704      2.36985506     -1.36700016
  O      6.95938335      3.96265430      0.57451870
  H      2.53261139     -2.03543670      0.18757185
  H      3.10782778      3.80487640     -1.94389815
  O      8.65142764     -1.52822187      0.66406080
  H      1.62507617     -2.26305190      1.40437320
  H      5.79496731     -2.50451939     -0.73496652
  O      3.22735970      2.87871064     -2.18689695
  H      3.86312922     -0.15276244      2.86343361
  H      4.58972653     -1.75726737     -1.41030619
  O      5.54231028     -1.91397372     -1.45552523
  H      3.83640753      1.36239727      3.21285611
  H      5.74826157      2.86951617      3.52507743
  O      4.78698213      2.90361653      3.57960110
  H      6.24920826     -0.50394902      2.47705021
  H      4.51290288      3.46781537      2.84505379
          69
 Energy    -248.22036641108772     
  O     15.42900765      9.78675694    -15.20293540
  H     15.38533021     10.67570209    -15.57504708
  H     13.67418053     11.31241789    -10.30149469
  O     15.18334710      7.05294171     -8.96301345
  H     14.63980139      9.28458874    -15.44517619
  H     16.64535176      4.84922549    -14.80719238
  O     15.87799627     12.42317649    -16.01084582
  H     15.64971151      7.90725177     -8.90955833
  H     17.96363089      4.04585814    -14.73717381
  O     12.78747351      8.40900011     -9.71382377
  H     15.45644608      6.53879633     -8.20868265
  H     15.26329183      7.88892051    -11.95411753
  O     13.28040971      8.13721051    -15.59338006
  H     16.81322072     12.23375275    -15.80891309
  H     15.36487302      6.85340805    -10.79660412
  O     18.02931217      8.93218241    -15.15532047
  H     15.86609455     12.95777104    -16.79949685
  H     17.70167776      7.60632306    -16.46020516
  O     17.94291152      7.13407497    -12.96047663
  H     13.50464191      7.84547443     -9.39979782
  H     17.56893140      6.09483262    -16.26171969
  O     11.34847013      7.73422634    -11.91107968
  H     13.07981377      9.31447641     -9.55517676
  H     18.63379784     12.76193072    -11.82409895
  O     15.38461148     12.97539836    -13.24695171
  H     13.28382997      7.52985515    -14.83882295
  H     18.07278774     11.34134448    -12.04462720
  O     11.97011498      9.90995808    -13.66648339
  H     13.65535348      7.64009654    -16.33245655
  H     15.67564576      6.71889214    -17.30617306
  O     13.38664366     11.58526633    -11.99125624
  H     18.08962348      8.35668753    -14.38228902
  H     14.61138235      6.33072549    -18.35783195
  O     13.90512051     11.02479839     -9.40078114
  H     17.09948412      9.20583307    -15.21215879
  H     15.34112382      9.64963868    -13.44482831
  O     17.61293737      4.93266066    -14.73118930
  H     17.09230831      7.02664035    -12.51029054
  H     14.58405744     10.21074176    -12.22156836
  O     15.42236871      6.95168635    -11.75432347
  H     18.00773256      6.36000262    -13.53436036
  H     18.39022036     11.95485241    -14.25758361
  O     17.37683573      6.80374541    -16.88810798
  H     10.46805628      7.49951784    -11.62948293
  H     18.44448841     10.76040671    -15.23166495
  O     18.07255990     12.24548595    -12.39793155
  H     11.84482914      7.97224901    -11.10786954
  H     16.87487089      9.68631575    -11.84084429
  O     14.72200097      6.57492597    -17.44277816
  H     16.26579587     12.78517671    -12.90393435
  H     18.15071765      8.83229225    -11.86633303
  O     15.25586361      9.57290069    -12.48400734
  H     15.45861414     12.90571910    -14.20637694
  H     14.06827014      6.47389073    -12.82795926
  O     18.37110852     11.72435414    -15.19467407
  H     11.67160312      9.20783766    -13.07353332
  H     12.54518461      6.70233712    -12.92151018
  O     17.78696238      9.64718891    -11.50454795
  H     12.30332930      9.45666930    -14.44836104
  H     15.58680892     10.11902306     -9.18116697
  O     13.30272096      6.35925725    -13.41082925
  H     14.00472235     12.16339393    -12.46534013
  H     16.92858299      9.61449596     -9.78413571
  O     16.32142629      9.50725899     -9.04186163
  H     12.81865136     11.12842331    -12.62917453
  H     14.28169261      5.21096499    -14.52942388
  O     14.91857060      4.83900833    -15.15292692
  H     13.59618909     11.70651340     -8.80929220
  H     14.77266193      5.30859461    -15.98324117
          69
 Energy    -248.22034596049212     
  O     14.75590688      8.56945228     -9.53334007
  H     15.17144679      9.42558388     -9.74903084
  H     13.57818782      6.72397764    -16.91014712
  O     16.06030650      5.00104295    -12.89609300
  H     14.42257589      8.64268718     -8.64295005
  H     19.26233508      6.56874706    -16.58146755
  O     15.13980839     12.51648839    -12.28982667
  H     16.88902786      4.96604251    -12.40478611
  H     18.80366332      6.84239547    -15.12968550
  O     17.40586045     11.67196036    -13.96363169
  H     16.23988036      4.79089356    -13.82695785
  H     14.69950806     10.72631823    -14.91858076
  O     10.84709059      7.96635342    -15.65544422
  H     15.92507058     12.40887041    -12.83811856
  H     15.67570094      9.87112441    -15.80268055
  O     17.37107337      7.50540671    -10.17419031
  H     14.43869125     12.02801014    -12.74297149
  H     15.93871700      6.81159086    -13.13071344
  O     12.52600882      6.58241865    -13.89523414
  H     17.97054690     12.31203100    -14.39010485
  H     15.97008284      7.90268042    -14.24868152
  O     13.39371748     10.76478756    -13.65742639
  H     16.74068859     11.40485284    -14.62070111
  H     18.04575086      6.07932394    -10.89722043
  O     13.11511029     10.34341723    -17.32420202
  H     11.27668534      7.79390454    -16.50161203
  H     18.97228492      4.83871825    -10.86120029
  O     16.38989299      4.72926020    -15.58353891
  H     11.31107511      7.42132876    -15.00448210
  H     14.34308760      4.48584270    -12.66313997
  O     16.16191016      8.18806060    -16.03267718
  H     17.67125358      8.24271889    -10.71919529
  H     13.32797878      3.33293020    -12.72437257
  O     14.12513178      6.35551736    -16.20413463
  H     16.47151843      7.72622727     -9.90473467
  H     17.08457392      8.85646449    -12.59887631
  O     18.48827731      6.65572268    -16.03168551
  H     12.68891551      5.72466058    -13.47725504
  H     17.78514606     10.22128620    -12.84033684
  O     15.39161265     10.77507680    -15.59634560
  H     12.75720079      7.25082870    -13.23696595
  H     18.94157277      8.03751142    -13.09379908
  O     15.87738114      7.76157377    -13.29851622
  H     13.36759817     10.00535911    -13.05909634
  H     19.07721904      6.52861957    -12.81851689
  O     18.43094083      5.36762719    -11.44086429
  H     12.55728776     10.78419811    -14.13831354
  H     12.77931654      8.69526034    -17.82519673
  O     13.39374938      4.28322986    -12.67297419
  H     13.94032237     10.61179586    -16.90462557
  H     12.28096383      7.71959178    -18.91795518
  O     17.79928653      9.43381163    -12.28069193
  H     12.41377891     10.58131521    -16.70388779
  H     16.76838152     10.42460146    -10.89594026
  O     19.25203395      7.21034561    -13.47942676
  H     15.58952133      5.16054278    -15.91280052
  H     15.65042556     11.47053793    -10.88947117
  O     12.52037821      7.77205435    -17.99670622
  H     17.13190935      5.29172490    -15.83668943
  H     10.27384190     11.07010089    -15.27092824
  O     16.05990113     10.77932942    -10.34920129
  H     15.44563756      7.55485202    -16.19010560
  H     10.94617841      9.67823639    -15.37106082
  O     11.12083125     10.63340654    -15.29023452
  H     17.00089151      7.72652234    -16.15713209
  H     13.76372855      8.47188363    -11.15937182
  O     13.55276292      8.47570987    -12.09958751
  H     13.60404136      6.41126829    -15.39051959
  H     14.38344244      8.24241620    -12.54624771
          69
 Energy    -248.21998828318675     
  O     12.73938510     10.86488570    -14.66906397
  H     12.99885853     10.09412755    -15.19194907
  H     15.59392237      5.54630319    -14.31953973
  O     16.17254691      6.36203374    -12.75394367
  H     13.42151510     11.52649336    -14.83075637
  H     18.99392873      7.03669566    -13.29923226
  O     17.76884991     11.20671560    -10.94692979
  H     15.60261093      6.26953012    -11.97999830
  H     19.14073579      8.25099881    -12.38187608
  O     18.43642651      9.57600890    -14.98072398
  H     17.06362783      6.59453820    -12.46531603
  H     16.34984759     10.32852600    -17.19742082
  O     12.55865536      6.25279416    -15.11008761
  H     17.32375368     11.48865714    -10.13651675
  H     17.39799461     10.62271457    -16.11084963
  O     14.03960433     10.80265377    -10.64689782
  H     17.10399969     11.27157821    -11.64989464
  H     16.73031700      8.98379888    -14.42906541
  O     14.26030142      6.19841187    -10.70135540
  H     18.88047136      9.89169070    -14.18386083
  H     15.92002152      7.94709132    -13.58779548
  O     15.74426134     11.21267478    -12.79509256
  H     18.81167565      8.70627152    -15.17143192
  H     10.94212500     10.26065152    -12.16200738
  O     17.12426408      6.65098172    -16.72063215
  H     12.47512392      6.57089121    -14.19199081
  H     12.16292575     10.35294544    -13.10504961
  O     14.94488992      8.42216426     -9.39284491
  H     11.76517496      5.76287558    -15.30584341
  H     18.06163557      7.96031862    -10.67954109
  O     19.28144489      6.89772582    -15.17205395
  H     13.19657416     10.56461089    -11.05037501
  H     17.71033888      9.41181567    -10.30673362
  O     15.26965135      5.30829292    -15.19920361
  H     14.62757029     10.99868104    -11.39106055
  H     12.25576338      8.15629450    -12.41685196
  O     18.80420910      7.34556921    -12.40262996
  H     14.08289055      5.48556223    -10.09403729
  H     13.00935625      6.88895567    -11.92187355
  O     16.68694697     11.02820824    -16.62507566
  H     14.46838322      6.98482208    -10.16440597
  H     20.56770841     10.38502092    -12.29117562
  O     15.86099446      8.79070487    -14.05465713
  H     15.71885710     10.32277542    -13.17839442
  H     19.08094224     10.56712896    -11.91214316
  O     11.85999345     10.01351865    -12.24359734
  H     15.51967746     11.82016040    -13.50906760
  H     15.23142941     11.48830735     -9.36525740
  O     17.62768264      8.49680963    -10.00837203
  H     16.44088621      6.13419563    -16.26586357
  H     15.99492177     11.01660285     -8.12812397
  O     12.42551454      7.22737195    -12.61125045
  H     16.67241189      7.34342288    -17.21226455
  H     14.88162678      8.70328824    -17.32153384
  O     19.68654388     10.08661435    -12.50199992
  H     15.90400597      8.42261380     -9.53635341
  H     15.18882663      8.68448289    -18.83765985
  O     16.02470122     11.66017383     -8.83539902
  H     14.60385636      9.22671715     -9.80252869
  H     15.60463261     12.03666575    -15.70797888
  O     15.59584037      8.76972054    -17.97917525
  H     20.01636292      6.44697071    -15.57842219
  H     15.05246491     13.45781043    -15.44735333
  O     15.01562896     12.55854193    -15.13339877
  H     18.50846696      6.74306827    -15.74751435
  H     14.53083721      8.65783461    -15.24687362
  O     13.82645284      8.59974711    -15.91263469
  H     14.33009901      5.52253975    -15.20044605
  H     13.33483401      7.78821862    -15.73436127
          69
 Energy    -248.21998692184945     
  O      0.42714982     -2.37907230      5.52721190
  H      0.22317866     -1.43578322      5.66059537
  H     -0.38452256      4.59640154      2.14669724
  O      1.80976962     -1.25084405     -2.22919389
  H      0.83319482     -2.68895855      6.33218289
  H     -3.47635150     -0.07853806      5.14969639
  O     -2.23004957     -3.00642807      4.60716755
  H      1.41573189     -2.13236192     -2.22920275
  H     -3.26257245     -1.54918684      4.64173129
  O     -0.01958956      0.13342527     -0.59967054
  H      1.14885392     -0.67568976     -1.81916690
  H      1.00489462      0.94032006      2.69228015
  O      0.59554810     -3.78508311     -1.66675180
  H     -1.35502256     -2.88829438      4.99568999
  H      0.16561206      2.24260166      2.92918407
  O      2.27774153     -3.62756621      0.47556013
  H     -2.08203741     -3.09661206      3.65611598
  H     -1.89955922      2.37318842     -0.23042183
  O     -3.00340491      3.04503828      3.86589963
  H      0.53446315      0.01389315      0.18489267
  H     -1.23469438      3.22829919     -1.34333784
  O     -5.47927664     -0.29741451      2.32749323
  H     -0.29659349      1.05474721     -0.61264537
  H     -2.55331504     -0.12034087      3.19277767
  O     -0.17577576      0.24521648      5.76865548
  H      0.65496166     -4.64696706     -2.07021579
  H     -1.14969944      0.48869838      2.86053579
  O      3.68757786     -1.21256934     -0.26313309
  H      1.16831230     -3.80521401     -0.87933425
  H     -0.96888301     -2.82027832     -1.22292335
  O     -5.21869607      2.36852043      2.19252405
  H      1.91409301     -3.42590714      1.34797870
  H     -1.14496216     -1.35339316     -0.78386525
  O     -0.69976866      3.69520352      2.12610631
  H      2.89205627     -2.91087739      0.27700901
  H      0.15369453     -2.68621098      2.44805590
  O     -3.71510004     -0.71045323      4.46209700
  H     -2.28652157      3.26984553      3.26429917
  H      0.97707724     -2.58136425      3.75508405
  O      0.42078108      1.39647799      3.31501407
  H     -3.77669994      2.85807411      3.31763705
  H     -2.83282080      2.04439225      5.29731411
  O     -1.06932913      2.81028188     -0.50221476
  H     -4.96732103     -0.57725513      3.09847971
  H     -3.12960315      1.86961454      6.80465401
  O     -1.92834733      0.06822249      2.47813242
  H     -5.10830312     -0.74447610      1.55430535
  H      1.53279164     -1.05467187      2.01864118
  O     -1.61060530     -2.19894417     -0.85694820
  H     -1.03687043      0.62911825      5.97000977
  H      2.52747567     -0.44830869      0.99624472
  O      1.05620702     -2.60301996      2.79432276
  H      0.14315905      0.71237214      4.98373666
  H     -1.61060567     -2.67674215      0.93268546
  O     -2.76043767      1.42564986      6.04572130
  H      3.10368848     -1.19895362     -1.04296057
  H     -1.69001142     -1.67016817      2.08625350
  O      1.75915338     -0.24113424      1.54198373
  H      4.57472100     -1.06459105     -0.57823947
  H     -3.89421025     -0.17611979     -0.10656958
  O     -1.51986668     -2.60406904      1.88964497
  H     -5.39036240      1.41104424      2.27672767
  H     -3.44244722     -1.60547723     -0.41212303
  O     -4.18567245     -1.09547374     -0.07079772
  H     -6.06788621      2.79305872      2.11229236
  H     -2.72421995      0.96982149      1.16548593
  O     -3.16738881      1.52637459      0.50323188
  H     -0.78569222      3.45130019      1.19174527
  H     -3.92577636      1.92307908      0.94893714
          69
 Energy    -248.21998361345689     
  O     12.13909002     12.49869292    -12.02655886
  H     12.75128510     12.60514005    -12.77960805
  H     12.52571508     10.11212052    -16.40005986
  O     18.67525650      8.25986906    -12.68856858
  H     11.70964632     13.33911472    -11.89669468
  H     15.36038118      9.04403158     -6.92014533
  O     11.36430669      9.96546513    -13.02669540
  H     18.63325377      7.40582998    -12.24519380
  H     14.92463200      8.84329222     -8.38384388
  O     15.60791801      7.33812246    -11.33258431
  H     18.55145173      8.91422055    -11.98447183
  H     13.29649655     11.54789297    -10.97204002
  O     18.61551097      9.97824004    -10.48692222
  H     11.76340279     10.00119951    -13.90400350
  H     13.71018879     10.21566709    -10.23250750
  O     20.36515945     11.95678241    -11.43169760
  H     11.48756809     10.84574444    -12.65058462
  H     18.43711922      8.59332721     -9.30618376
  O     16.47723185     11.40986086     -9.39430038
  H     16.43526872      6.86211454    -11.20408352
  H     17.29175815      8.14856200     -8.38425324
  O     11.50915966      7.84011458    -11.35912174
  H     15.81268042      8.17748075    -11.77059863
  H     17.23710385     11.93561857    -14.39089323
  O     17.39458867      8.67071585    -15.18547068
  H     19.30296715     10.62554324    -10.68432612
  H     17.00565501     12.57115387    -12.97098789
  O     13.50367780      6.51051888    -13.00981944
  H     17.83127043     10.47818544    -10.22271001
  H     18.16345655      6.64954296    -10.06082982
  O     14.61696980      8.43080525    -14.63966434
  H     21.24654519     12.26667087    -11.24425822
  H     18.39559438      5.24203767    -10.66624153
  O     12.79902868     10.25004616    -15.49706695
  H     20.41217669     11.45647991    -12.26667583
  H     15.00729078     10.27831694    -11.89414047
  O     15.67367365      9.09430327     -7.82076742
  H     15.61706066     11.44245306     -9.83962328
  H     16.07613552     10.58816792    -12.96077895
  O     14.02720226     11.06368871    -10.56979887
  H     16.35445813     10.76284270     -8.69045026
  H     19.91170771      9.55699152    -13.40531895
  O     18.11167204      7.84230768     -8.78731951
  H     11.43198228      8.59927509    -11.96483837
  H     19.74775156     10.73524815    -14.38063949
  O     16.57073362     12.15028471    -13.72791450
  H     10.62894812      7.49066496    -11.24702615
  H     18.01321107     10.23658950    -15.56576511
  O     18.10992668      6.12534949    -10.88093983
  H     17.77671720      8.43721362    -14.32785811
  H     18.52093827     11.31243664    -16.55912049
  O     15.62395076      9.86280934    -12.51016189
  H     16.45444246      8.46098546    -15.13818180
  H     14.38359156      7.97785437    -10.20767942
  O     20.28958291     10.41140497    -13.65013957
  H     12.75502437      6.85283058    -12.50839714
  H     12.85754023      8.17966158    -10.11804424
  O     18.38851040     11.13479757    -15.63214814
  H     14.26763800      6.61898942    -12.42555520
  H     18.67047715     12.83822183    -11.40004033
  O     13.68969867      8.41623079     -9.68886779
  H     14.94261816      8.97904118    -13.90836660
  H     17.33863308     12.72036262    -10.63009161
  O     17.74058497     13.09871913    -11.42052735
  H     14.18492386      7.66840169    -14.22878295
  H     13.52988734     11.82626057    -14.69841213
  O     13.81296664     12.54947122    -14.12551221
  H     13.45869280      9.56418965    -15.29472203
  H     14.77292396     12.48120660    -14.03500145
          69
 Ord_Energy   -248.219940    
 O   -3.91122556       6.59425735       8.68199062    
 H   -3.33602691       5.86602640       8.94269753    
 H   -3.81628609       6.67487335       7.72088099    
 O   -7.84850740       7.14807129       6.30101919    
 H   -8.19214249       6.46182728       5.71741438    
 H   -7.47631645       6.72675848       7.08882189    
 O   -8.54686451       5.18176413       4.41477966    
 H   -9.39589024       5.02202654       4.01117373    
 H   -8.33028221       4.39011717       4.93970776    
 O   -5.14499760       4.13301611       5.96826172    
 H   -4.81172323       3.97590590       5.07662010    
 H   -6.06770754       3.84685278       5.97349501    
 O   -7.42243433       8.72573662       9.93850136    
 H   -7.76321173       9.12526608       9.11801147    
 H   -7.99203110       9.01461697       10.6458492    
 O   -4.62737608       2.86174345       8.41250610    
 H   -4.73035431       3.28920841       7.54834127    
 H   -3.85481715       3.27300572       8.81390381    
 O   -4.24778080       1.40568674       3.21109605    
 H   -4.36605835       1.07331026       2.32479262    
 H   -4.24456215       2.37685680       3.14865756    
 O   -4.49895668      0.364239961       7.14192963    
 H   -3.71234131      0.514338970       6.60585833    
 H   -4.55640173       1.13452876       7.72423124    
 O   -4.17431116       4.11064720       3.31410694    
 H   -3.34555817       4.55460691       3.53113651    
 H   -4.84618664       4.79293346       3.15397549    
 O   -7.75946331       3.13108635       5.95540857    
 H   -7.77089548       3.17875195       6.92353868    
 H   -7.38551950       2.27949095       5.68170643    
 O   -6.10884094       6.03158903       3.14612317    
 H   -5.94883871       6.89112949       3.55360174    
 H   -6.96208000       5.73344421       3.48618960    
 O   -8.11447430       9.67860413       7.48657370    
 H   -7.31986618       10.0982275       7.13505793    
 H   -8.20241356       8.84385681       7.00464725    
 O   -1.94401848       5.47452164       4.40165472    
 H   -2.56714463       5.97622204       4.95713615    
 H   -1.30895329       6.09979200       4.06226349    
 O   -5.47232819       10.4939575       6.63456488    
 H   -5.15383577       10.0770178       7.45538616    
 H   -5.11015415       11.3757200       6.61744547    
 O   -6.38476944      0.913644612       5.16854334    
 H   -5.83368874      0.619162261       5.90947104    
 H   -5.77669001       1.02581275       4.43190098    
 O   -4.78050804       9.26505756       8.96630192    
 H   -4.35693169       8.39682961       8.96396351    
 H   -5.61104584       9.14754391       9.44423676    
 O   -3.89720607       6.56744432       5.93986797    
 H   -4.48690748       7.23119116       5.55845213    
 H   -4.40095329       5.73987484       6.00688219    
 O   -6.72946787       6.27379036       8.71289253    
 H   -7.02936840       7.02133560       9.24565887    
 H   -5.76339340       6.29469728       8.73316860    
 O   -2.26900482       4.30859327       9.02707672    
 H   -1.54641879       4.10157061       9.61373138    
 H   -1.98815095       4.04421091       8.13230991    
 O   -7.36774349       3.52188730       8.62727833    
 H   -7.26625109       4.47497988       8.75145721    
 H   -6.47937679       3.16065073       8.74706554    
 O   -1.60535705       3.54106879       6.49785328    
 H   -1.86628366       2.69063330       6.12354946    
 H   -1.61353683       4.16947651       5.76703739    
 O   -2.38714194       1.07429540       5.27660227    
 H   -3.01343942       1.14401233       4.53949213    
 H   -1.75664890      0.399209142       5.03338385    
 O   -5.76296663       8.29631615       4.90362167    
 H   -6.52092314       7.90194988       5.36361647    
 H   -5.60419035       9.14138317       5.34228754    
          69
 Energy    -248.21977074730046     
  O     13.81634459     10.94044390     -8.48310102
  H     13.80874780     10.85620766     -7.53383096
  H     11.63455243     13.77839321    -13.04973151
  O     11.27391177     11.34073173    -15.34924262
  H     14.42686635     11.66956300     -8.69885330
  H     15.81674466     14.09304217    -16.27019932
  O     14.60683542      9.00438006    -10.43952909
  H     11.15828572     12.13172594    -14.79717453
  H     16.40238912     14.20476250    -17.69776658
  O     18.60287465     13.51921397    -12.98532181
  H     11.73396251     11.62034253    -16.14678921
  H     13.39726834     14.45945001    -11.15653159
  O     11.94122462     11.54231464    -10.47562595
  H     13.83102838      8.97913796    -11.01384792
  H     12.52914106     13.14315009    -11.12384953
  O     12.48172230      9.41243813    -12.25336076
  H     14.38119686      9.59702346     -9.71236545
  H     11.89720232     14.42076682    -15.09425121
  O     13.81012162     10.48592110    -14.49576921
  H     18.33023946     13.06908865    -13.80667477
  H     12.83698468     13.84538812    -16.17609642
  O     14.81125366     15.41874684    -10.40816579
  H     19.54347385     13.65992809    -13.04785342
  H     15.52545775     12.34983064    -12.48969549
  O     10.03624395      9.51133123    -13.67426954
  H     12.14320288     10.83429204    -11.10330195
  H     14.10501058     13.00381902    -12.56141346
  O     15.14432500     14.74825386    -14.75694029
  H     12.46374232     11.35380505     -9.68608175
  H     17.27430137     12.56317896    -15.90756093
  O     13.60580698     12.19492147    -16.85273267
  H     11.60991898      9.26665870    -12.64085279
  H     17.39215446     11.31845542    -14.98873299
  O     10.95346483     13.51613491    -13.68546293
  H     13.05689749      9.67349567    -12.98463470
  H     16.13275537      9.07308028    -11.25498582
  O     16.07665123     13.57932268    -17.05507372
  H     14.17641626     11.23854588    -13.99734260
  H     17.55501701      8.49097230    -11.43196091
  O     12.83019524     13.87879162    -11.67798209
  H     12.89978005     10.70987729    -14.73100554
  H     16.72849999      9.49280422    -13.59729580
  O     12.58506338     14.66266249    -15.72656971
  H     14.76748236     16.28560389    -10.01334309
  H     15.60900044      9.83174456    -14.59748858
  O     14.78627895     12.55058127    -13.07711251
  H     15.46767659     15.47242375    -11.12582501
  H     17.62887972     12.44287746    -11.86789564
  O     17.76750077     12.19307487    -15.16891057
  H      9.41878309      8.91875953    -14.09618790
  H     17.08386575     11.01483355    -11.50724884
  O     16.97559206      9.18716231    -11.73009456
  H     10.38272413     10.09514176    -14.36929966
  H     10.20542229     11.77344902    -11.32259951
  O     16.56755187      9.77738207    -14.50535472
  H     15.10995514     13.95179956    -14.20544242
  H      9.52464722     10.99855181    -12.46420840
  O     16.94017799     11.96255331    -11.39003919
  H     14.23533153     14.91548765    -15.04723487
  H     17.33089134     14.91487015    -12.58627503
  O      9.52352609     11.84537106    -12.00354524
  H     13.88110474     11.55489108    -16.18607867
  H     16.09201269     15.45398513    -13.31519426
  O     16.57378720     15.50207225    -12.47794503
  H     14.42589453     12.62753622    -17.12506319
  H     15.25943587     13.80966637     -9.50792013
  O     15.47747494     12.91090747     -9.23727928
  H     10.28181876     13.06232382    -13.15591262
  H     16.06627939     12.56607152     -9.92396276
          69
 Energy    -248.21972574502269     
  O     16.25898093     12.05465064    -14.08766548
  H     15.47182228     12.27635487    -13.58024404
  H     12.75543861      6.93735046     -8.09630018
  O     16.13634742      6.33776599    -12.08289081
  H     16.87418708     11.65896841    -13.45235746
  H     14.56589820     12.73402331     -8.97855812
  O     11.87161892      7.71839766    -12.38555817
  H     15.25842301      6.07386482    -11.77002302
  H     15.74059161     11.98965814     -9.65543665
  O     19.60612904      8.66753597    -12.86609359
  H     16.12712953      6.28879610    -13.04838265
  H     15.20087572      9.06700056    -10.86582293
  O     12.68950552      6.53873427    -16.47949435
  H     12.28061295      8.52127046    -12.73089876
  H     15.76056604      8.08428076    -11.92712506
  O     15.95921993      6.46137909    -14.84724457
  H     11.42937701      7.28856613    -13.12869264
  H     16.39640708     10.99641714    -15.46268909
  O     13.43039090      9.88005358    -13.31622833
  H     19.10535459      8.47076365    -13.67916076
  H     16.73473112     10.84456758    -16.96426088
  O     17.51940549      8.90777829     -8.55123121
  H     20.52981447      8.63914521    -13.09926111
  H     11.99408335      4.87088661    -13.75103652
  O     14.35149471      4.33320568    -15.64843873
  H     13.26881108      5.77468913    -16.36921470
  H     13.04661829      4.72318132    -12.63328493
  O     14.79842956      9.28936818     -9.07587870
  H     13.23265237      7.31847365    -16.29949222
  H     17.47381565      7.51013478    -15.03751405
  O     18.29475553      7.39933332    -10.65815511
  H     15.37129104      7.19947832    -15.06366561
  H     17.64748352      8.97833549    -15.47425912
  O     13.54294586      6.81680393     -8.62291843
  H     15.52628203      5.66130325    -15.16980762
  H     12.96475782      6.54942552    -11.63352163
  O     14.77329406     12.11413187     -9.67376913
  H     14.18005627      9.52581247    -12.81001880
  H     13.55006268      6.04171774    -10.29545900
  O     15.50761203      9.00560750    -11.77879268
  H     13.40713737     10.81738408    -13.10058266
  H     11.42991156      6.35494552    -15.27907006
  O     16.50504682     10.34949847    -16.18230842
  H     17.81333148      8.36266134     -9.30375988
  H      9.95608846      6.07129782    -14.90660702
  O     12.74985360      4.34017950    -13.46953355
  H     17.92039317      8.53233011     -7.77201369
  H     17.57380933     10.72300393     -9.15365712
  O     18.10915596      8.23806356    -15.06333551
  H     14.46585906      3.44715995    -15.97971370
  H     17.63716142     11.36070169    -10.54876893
  O     13.55016910      5.87805546    -11.24673092
  H     13.80813157      4.26505391    -14.84170429
  H     13.94227345      9.08321190    -14.86253616
  O     10.82471785      6.19324334    -14.53376510
  H     15.72038991      9.15908105     -8.80592447
  H     15.05036408      9.21834292    -15.93388677
  O     17.40475377     11.54682194     -9.62716144
  H     14.65818650     10.23743206     -9.17886113
  H     13.46632898     13.32975040    -12.36533595
  O     14.35775327      8.62955086    -15.60916023
  H     18.82289149      7.77950718    -11.37004099
  H     14.22548318     12.36261648    -11.43528465
  O     13.95642334     12.51039114    -12.35470000
  H     17.60057360      6.88264070    -11.09057481
  H     18.46678013     10.06448176    -12.43172912
  O     17.71885455     10.63399338    -12.21658303
  H     13.91561350      7.70303933     -8.74554205
  H     16.95737375     10.04830514    -12.08062427
          69
 Energy    -248.21968615130635     
  O     15.39927242      9.77570483    -17.00377698
  H     14.55472482      9.95315309    -16.57510299
  H     18.24991511      7.33626327    -11.02744035
  O     16.64537934      5.36718484    -13.01428632
  H     15.95129081     10.57360323    -16.97976022
  H     19.32181958      9.45686662    -17.35803265
  O     17.45379780     13.37906599    -11.53556588
  H     17.04372834      5.47165874    -13.88539022
  H     20.37175685     10.55146944    -17.65813893
  O     19.41691171      9.54795129    -14.40121719
  H     17.30726592      5.67917021    -12.38461688
  H     16.27020159      8.61874201    -14.03170405
  O     15.41328351      6.00797285    -16.86853846
  H     18.05131117     13.98873037    -11.11097034
  H     16.31703155      9.01390428    -15.54870781
  O     16.13430367     10.35349648     -8.80544478
  H     17.94934992     12.55221985    -11.66962939
  H     12.12517274      9.99277693    -15.84331308
  O     15.32918603      8.65373724    -12.47613697
  H     19.68098708      9.89719373    -15.26042521
  H     13.14826453      8.90992843    -15.41643362
  O     16.72809334     12.16124342    -13.98274895
  H     18.50728961      9.23009074    -14.52140946
  H     17.03561178      9.30011354     -9.92322040
  O     20.00807372      6.82108202    -13.81485049
  H     15.59424363      6.53586945    -17.65621286
  H     16.64180439      8.74452429    -11.31582111
  O     14.08161098      6.17254744    -12.70170086
  H     16.27302179      5.85059270    -16.46121861
  H     14.12391281      6.79421681    -15.85847528
  O     17.91224234      6.22337781    -15.47754153
  H     15.72850023     10.49754990     -7.95533380
  H     13.59033867      6.81387615    -14.41052338
  O     18.64539805      6.49342089    -11.30640009
  H     15.68818453     10.95877093     -9.42228708
  H     19.04273752     10.47988763    -12.89736013
  O     19.64492832     10.33337267    -17.08080319
  H     14.75458537      7.87845798    -12.48850881
  H     18.19733613     10.20774990    -11.62236996
  O     16.83608506      8.66906565    -14.81250533
  H     14.81145860      9.44881906    -12.65955674
  H     14.62608771     11.77282552    -11.49225426
  O     13.01262800      9.87179323    -15.51664310
  H     16.81072733     12.93299316    -13.41124909
  H     15.80661975     12.60525558    -10.94217547
  O     17.38597148      8.84257682    -10.70092599
  H     17.29549319     11.50539104    -13.55417809
  H     17.84505417      7.87024256    -18.25710618
  O     13.50794508      7.24919463    -15.26601644
  H     19.65489956      6.70224151    -12.92441239
  H     18.56669443      7.21341629    -17.06836374
  O     18.53826690     10.90950223    -12.19259139
  H     19.99647501      7.77353280    -13.97779091
  H     13.72317883     10.74476767    -14.03180841
  O     15.05964788     12.05265725    -10.67814477
  H     14.97866137      5.80697845    -12.81254676
  H     15.03951411     11.46371637    -13.62898979
  O     18.66813560      7.88479468    -17.75180406
  H     13.59330423      5.55174556    -12.16862191
  H     18.05528353     11.39175535    -16.85812484
  O     14.23385197     11.06036309    -13.27521769
  H     17.45571485      7.05684215    -15.27411702
  H     17.09454612     12.02341080    -15.81398823
  O     17.18331931     11.79102455    -16.74796220
  H     18.74317408      6.25819911    -14.97928868
  H     15.78135305      8.61984770    -18.25294219
  O     16.07277262      7.92639148    -18.87187209
  H     19.03413023      6.10240076    -10.52767537
  H     15.70120243      8.13945914    -19.72347088
          69
 Ord_Energy   -248.219666    
 O   -5.06103086      -4.17024803      -2.30330467    
 H   -5.65245390      -3.44749618      -2.06318116    
 H   -4.84589863      -4.06770802      -3.23981500    
 O  -0.619690895      -3.24694920      0.561935723    
 H  -0.583579302      -4.05771017       1.06350708    
 H   -1.35158193      -3.35116053      -6.58211336E-02
 O  -0.395569295     -0.505139112      0.598863602    
 H  -0.354369253      -1.46768391      0.686844468    
 H  -0.400324970     -0.314213783     -0.349246711    
 O   0.338966429      -1.51862276      -4.20111609    
 H    1.18242753      -1.86688352      -4.47784185    
 H  -0.255942404      -2.28167987      -4.09276962    
 O   -3.98050094       1.89400935     -0.345783383    
 H   -3.24904156       2.12089920     -0.936387122    
 H   -3.64448833       1.23875093      0.283231437    
 O   -3.08488441       3.87669158       1.49223435    
 H   -2.25923443       4.09414005       1.04196596    
 H   -3.58459926       3.33497214      0.867132843    
 O   -1.42458415       7.22918585E-02  -5.82816935    
 H   -1.66165543      0.893292189      -5.37855816    
 H  -0.739816308     -0.358498067      -5.30311012    
 O   -4.02579451      -3.86304736      -4.95976448    
 H   -4.29677296      -4.32632828      -5.74811363    
 H   -4.01325846      -2.91466212      -5.18191481    
 O   -1.71528172       2.55050421      -1.91558421    
 H   -1.26404572       3.11430216      -1.27462089    
 H   -1.22525656       1.71573079      -1.96530902    
 O   -1.41528404      -3.57610416      -3.78293347    
 H   -1.68906820      -3.62374425      -2.86026645    
 H   -2.21554971      -3.76613855      -4.28764677    
 O   -3.20070648     -0.896273673      -2.60813713    
 H   -3.29264021      -1.06885338      -3.55382895    
 H   -3.99370933     -0.410625607      -2.34954977    
 O   -3.78155947      -1.21720076      -5.36766624    
 H   -4.38685226     -0.468388706      -5.26347923    
 H   -2.94094205     -0.853102267      -5.68247700    
 O    5.80358207E-02   1.96213567       1.85679328    
 H  -0.638793051       1.97020483       2.52430773    
 H    4.78627607E-02   1.07604361       1.46939814    
 O   -4.51090908      -2.08346796      0.762534320    
 H   -4.03573608      -1.32848060       1.13500977    
 H   -3.85483694      -2.58692336      0.268703431    
 O   -2.74484181      -3.26123786      -1.22579253    
 H   -2.85362935      -2.39539027      -1.64896762    
 H   -3.51233864      -3.78048325      -1.51230311    
 O   -5.58527660      0.463938296      -2.08331418    
 H   -5.21067238       1.01512837      -1.38165760    
 H   -6.03167534     -0.295729816      -1.68817246    
 O   -2.94911313       9.49680805E-02   1.52443922    
 H   -2.06528974     -0.146466061       1.21194112    
 H   -2.82536602      0.673448384       2.28683662    
 O  -0.681045771       1.58258304E-02  -2.10950184    
 H  -0.150616124     -0.441537887      -2.77239132    
 H   -1.59599948     -0.271505862      -2.26122069    
 O   -2.50886893       2.44673538      -4.56109190    
 H   -2.25264192       2.56684613      -3.63328671    
 H   -2.41291595       3.29917288      -4.98104191    
 O  -0.528066993       3.99099112      0.163116947    
 H   0.138343811       4.67090225      0.212439939    
 H  -0.243176624       3.27353001      0.758221924    
 O   -2.35704517       2.09065342       3.41749883    
 H   -2.60324574       2.34764791       4.30157042    
 H   -2.66561270       2.79580212       2.82047606    
 O   -6.54180765      -1.96149766      -1.02527285    
 H   -7.38049698      -2.18890047     -0.631436288    
 H   -5.87770510      -2.00696230     -0.313457727    
 O   -5.08777475       1.10527551      -4.76617956    
 H   -4.28344202       1.63431072      -4.70044947    
 H   -5.39708424      0.972490549      -3.85896945    
          69
 Energy    -248.21965836995804     
  O     -1.59585466     -2.76238993     -0.24236488
  H     -2.54563604     -2.59884557     -0.22629352
  H     -1.44792574     -6.67298698      1.81344433
  O     -1.06984721     -0.05652332      7.12946237
  H     -1.14745862     -1.90380903     -0.18526451
  H      1.62954708     -3.52990090      3.48389627
  O     -1.12300553      0.18049690      2.87997076
  H     -1.93604239     -0.42220511      7.34873433
  H      2.22093188     -4.53671249      2.47969845
  O      1.72227580     -4.81176465      6.15101849
  H     -0.50600223     -0.81366763      6.92602298
  H     -1.29461349     -3.37069891      1.44643498
  O     -3.71146564     -1.17579405      7.30985331
  H     -1.98222481     -0.25267564      2.77469026
  H     -0.88775215     -4.49754985      2.47349711
  O      0.24410262     -2.38182951      6.19779358
  H     -1.22334808      0.82414155      3.59197654
  H     -3.17517546     -3.57903913      4.78478150
  O     -0.95711923     -5.85679825      5.75766996
  H      2.49524298     -5.15777133      6.59083424
  H     -2.61694045     -3.55950870      3.34363082
  O     -4.07324202      0.34846692      5.08640429
  H      1.93481025     -4.76957695      5.20455478
  H     -3.94707358     -1.31440100      1.78829409
  O     -0.27182428     -0.42439568      0.19512587
  H     -3.92197178     -0.65927386      6.51133576
  H     -3.65990543     -1.89071464      3.18187820
  O     -0.33630065     -6.14812463      3.11805830
  H     -4.41293653     -1.01306193      7.93472326
  H      1.42804175     -4.78938712      0.25302525
  O     -4.23852465     -4.82837367      1.47775136
  H      0.38691546     -2.12958365      5.27475208
  H      2.95678821     -4.90757851      0.05899115
  O     -2.04880897     -6.72668765      1.05146673
  H      0.80945599     -3.14571947      6.36024250
  H     -0.01436262     -2.52846890      3.09186551
  O      1.96721215     -4.43166124      3.40773200
  H     -1.55871978     -5.16866776      6.06876748
  H      0.15216369     -1.03192877      3.34580091
  O     -1.15249533     -3.57496971      2.38039748
  H     -0.07829029     -5.59827635      6.06058057
  H      1.73553838     -1.67250398      1.88898406
  O     -3.44079576     -3.55504311      3.85806460
  H     -3.32454301      0.95768075      5.08102150
  H      2.20802186     -2.62009005      0.77761733
  O     -3.66119642     -1.06529972      2.67390926
  H     -4.08609595     -0.06056685      4.21162046
  H     -0.63725065     -4.28350413     -0.54728416
  O      2.28922069     -4.57300161      0.65249640
  H      0.62643384     -0.75951440      0.33036459
  H     -0.79055609     -5.73706664     -0.06255675
  O      0.60017190     -1.87996966      3.47688492
  H     -0.54285850     -0.03899553      1.03678044
  H     -1.31910208      1.15346109      5.89040501
  O      2.09690245     -1.68750726      0.99482912
  H      0.54009402     -5.74921632      3.15571669
  H     -1.34026007      2.63442997      5.43902217
  O     -0.14912985     -5.10931562     -0.41244352
  H     -0.67239203     -6.14160499      4.02889614
  H     -2.89915597     -2.77682653      6.81918631
  O     -1.56958811      1.75119602      5.16327122
  H     -3.54652362     -5.47649066      1.30480015
  H     -1.46624291     -3.07809051      6.33342216
  O     -2.34989738     -3.46325112      6.41961548
  H     -4.12077050     -4.53862924      2.39334981
  H     -5.10194155     -2.33383563     -0.35165297
  O     -4.35070988     -2.41008217      0.23050239
  H     -2.25036425     -7.65190210      0.92953692
  H     -4.38876492     -3.30005023      0.62549375
          69
 Energy    -248.21963207245341     
  O     12.91425070     11.20366700    -15.00331192
  H     13.43701844     10.64389248    -15.58901724
  H     15.31946945      5.21787690    -14.76759199
  O     14.64319507      6.48547848    -17.65192840
  H     13.43033571     11.31878646    -14.19351342
  H     15.79462648      7.89713617     -9.74902267
  O     13.58403082      6.38427506    -11.30242035
  H     14.50274736      7.41553681    -17.42180217
  H     15.13302429      6.69588278    -10.46942562
  O     17.76687600      4.95768731    -10.27922132
  H     13.90861633      6.23964899    -18.20982993
  H     14.02382443      9.34488554    -12.83421294
  O     10.55313520     10.04292824    -14.32824313
  H     12.63062011      6.27211035    -11.22384303
  H     14.82203803      8.26318800    -13.60177251
  O     14.21822883      9.01573235    -16.44565496
  H     13.72034261      7.15824493    -11.87439316
  H     11.01803084      5.83260063    -12.52043756
  O     15.34258992      9.60767812     -9.44178405
  H     18.04058677      4.67250077     -9.41106840
  H     10.10496446      5.69301694    -11.28019966
  O     19.19573453      6.15382901    -12.45902067
  H     17.14186716      5.69039722    -10.14692860
  H     10.84152214      8.13773809    -11.66972744
  O     12.13886803      7.81471120    -14.97201858
  H      9.81352987     10.50676740    -14.71097506
  H     10.75150742      9.41520165    -12.54466970
  O     16.66060752      3.41801001    -12.43652353
  H     11.35512400     10.53667834    -14.57905965
  H     15.08451680      4.06697162    -13.02034965
  O     18.31855787      4.42961333    -14.56098695
  H     14.99430035      8.86970244    -15.88513795
  H     14.10827642      5.19718357    -12.62306096
  O     15.96245196      5.52852483    -15.42203435
  H     13.47237692      8.56757087    -16.01718832
  H     12.54584593      4.83652870    -13.92356126
  O     15.98152454      7.03693602    -10.15235950
  H     14.42866417      9.85946804     -9.62322064
  H     11.79055673      6.04441189    -14.52397041
  O     14.03962746      8.40556777    -13.05175597
  H     15.88595374     10.15038997    -10.02535677
  H     12.08849561      9.98938748    -10.69005018
  O     10.78810528      6.23604891    -11.66430307
  H     18.85607680      5.68434156    -11.68586399
  H     12.23064290     11.08140035     -9.60708392
  O     10.96290254      9.09459592    -11.65932738
  H     18.99925912      5.58823967    -13.21643367
  H     16.80840662      8.25587857    -13.88291049
  O     14.35915303      4.61642660    -13.35343538
  H     12.75002838      7.97758254    -14.23585844
  H     16.25850814      7.24797700    -14.93589989
  O     11.66608955      5.22022933    -14.03257196
  H     11.43739085      8.47022529    -14.87287321
  H     13.69528286     11.10792323    -11.70074021
  O     12.73209032     10.54813847    -10.21869780
  H     17.00765279      3.85009297    -11.64642333
  H     15.15262277     11.16011349    -12.24461392
  O     16.24978384      8.17827266    -14.66749688
  H     17.29717841      3.60915261    -13.13632085
  H     17.18777398      9.98526465    -11.82607711
  O     14.22367295     11.14988486    -12.50968748
  H     18.78202328      3.98249675    -15.26459829
  H     17.62554334     11.43601933    -11.52475920
  O     16.86378655     10.86302626    -11.56190417
  H     17.51911675      4.81710542    -14.95609320
  H     16.92392257      7.86220830    -11.54280940
  O     17.51341266      8.27310587    -12.18976638
  H     15.49651372      5.73589998    -16.24378336
  H     18.23290700      7.64031421    -12.33307824
          69
 Energy    -248.21946327352890     
  O     14.56528381      9.90482977    -10.55761721
  H     14.43516909     10.40013870    -11.37894434
  H     13.28646385      8.84400067     -9.87431342
  O     13.10466688     10.07598409    -16.43141748
  H     15.34705723     10.23415430    -10.09746371
  H     18.48652172      7.57493108    -15.13081744
  O     16.87147667     10.83055641    -13.90995899
  H     13.06475130     10.95679553    -16.03816103
  H     18.40656759      6.14298329    -14.54902550
  O     16.91243866      7.64526835     -8.51925589
  H     12.91795019      9.45679076    -15.71463234
  H     14.36969646     12.63839387    -15.49279691
  O     15.98915288     12.37066043    -16.08368249
  H     15.95955508     10.77438181    -13.59691700
  H     13.10313788     13.48850901    -15.22370571
  O     15.77338931      7.71675963    -11.84568413
  H     17.44528683     10.79548112    -13.13185415
  H     13.79602924      7.93005031    -14.38469822
  O     14.15486235     10.78203337    -13.11647077
  H     16.05611890      7.21634629     -8.40131700
  H     12.59043376      7.89491338    -13.42644179
  O     18.54179581      7.67587967    -11.98195876
  H     17.47741866      7.00680952     -8.96809882
  H     15.39047347      9.93630576    -18.65643315
  O     18.35758219     10.45720609    -11.62957033
  H     15.94067515     11.68246011    -16.75870601
  H     14.63684968      9.99429526    -17.30761605
  O     17.05895804      4.88138180    -14.21585533
  H     16.46058498     11.97193850    -15.33825682
  H     11.46412934      6.02407147    -12.14809101
  O     16.86291550      4.11907181    -11.36161699
  H     15.33574968      6.93306200    -11.49169341
  H     12.94362837      6.13377387    -11.72732659
  O     12.70814853      8.12263809     -9.58276163
  H     15.37812595      8.48071540    -11.40830054
  H     13.71607939      7.05281935     -8.67922378
  O     18.95110487      6.94329525    -14.56726738
  H     13.73870164      9.97032447    -13.44082194
  H     13.97799415      6.09019726     -7.49358079
  O     13.46719157     12.61356849    -15.12504245
  H     13.85075728     11.49852347    -13.68697847
  H     15.19753742      4.84306522    -11.10040002
  O     13.00559121      8.42474000    -14.11511431
  H     17.57540439      7.74397776    -11.95587080
  H     14.41764606      5.61472191     -9.99033304
  O     15.51760990     10.05088723    -17.71847480
  H     18.79216592      7.43904464    -12.88810517
  H     18.69536738      6.51088222    -10.73920710
  O     12.17245374      6.65023318    -12.01278359
  H     17.94012461     10.50302257    -10.76203068
  H     19.49030989      5.70411166     -9.68308384
  O     14.34346340      6.39888338     -8.31826551
  H     18.61822518      9.53285223    -11.74152866
  H     16.00005648      7.68568368    -15.04966297
  O     14.43577335      5.41453806    -10.93692521
  H     16.36177451      5.52993150    -14.38567306
  H     15.55497597      7.38664437    -13.59500869
  O     18.61425729      5.84083660    -10.03474693
  H     16.97022511      4.63050006    -13.29132013
  H     16.96967879      9.36463207     -8.88930347
  O     15.38621901      7.15587875    -14.52133338
  H     17.18234262      3.22071793    -11.30845372
  H     17.16673295     10.80358781     -8.35660479
  O     16.94239404     10.30555072     -9.13834479
  H     17.50047671      4.67170342    -10.88268997
  H     16.71590704      9.17706850    -16.56492103
  O     17.18701335      8.82564297    -15.79991896
  H     12.34895409      7.72868756    -10.38556739
  H     17.16997099      9.52230082    -15.12591609
          69
 Energy    -248.21904913657042     
  O     16.62167841      9.69629860    -14.99585262
  H     17.37064043      9.09593369    -14.87840358
  H     14.37198037     12.35703936    -12.82152511
  O     14.95492544      7.66662861     -8.74891117
  H     15.84589535      9.17690545    -15.25071039
  H     13.62469143     11.64288678    -10.69209951
  O     17.22903006     12.27265047    -15.57111774
  H     15.36012757      8.54982188     -8.67387872
  H     13.10861162     12.21612873     -9.35168042
  O     12.66476444      8.80510115    -10.04101590
  H     15.07463105      7.23464931     -7.90798534
  H     15.70355669      8.15240289    -11.72239990
  O     14.38571590      8.18883346    -15.49715658
  H     16.98319085     11.34149187    -15.42937682
  H     15.47034099      7.25210801    -10.47843395
  O     18.77101640      8.06045043    -14.40028390
  H     17.16928212     12.43277033    -16.50923678
  H     18.74462269      7.37291030    -16.09715347
  O     19.97262646      9.87873420    -12.55748368
  H     12.88197424      9.73508450     -9.90446566
  H     19.36719526      6.67773959    -17.31575364
  O     17.51253759      6.01629027    -13.13568230
  H     13.34667402      8.30980638     -9.57219946
  H     18.04533358     13.90776517    -10.74345658
  O     11.61320828      7.95501265    -12.39404809
  H     14.80045870      7.60465128    -16.15113009
  H     17.83783384     12.42897333    -11.14354087
  O     15.71497501     13.35453632    -13.40250819
  H     14.18204979      7.63031351    -14.73572176
  H     16.74268341      6.56263298    -17.03422509
  O     12.61680305      9.98549565    -14.16829370
  H     19.23920383      8.60776193    -13.76096665
  H     15.75150700      5.67229170    -16.25356967
  O     13.77794786     11.71377199    -12.40606408
  H     18.38165578      7.30795952    -13.92430766
  H     15.06454312     10.41766399    -12.33179563
  O     13.59844450     11.49080959     -9.73047044
  H     20.90929646      9.84706443    -12.37852045
  H     16.12431751      9.79266836    -13.27634419
  O     15.66314884      7.23140148    -11.42233334
  H     19.80295683     10.72388529    -13.01246789
  H     18.71172438     12.30601968    -14.40959324
  O     18.53922140      6.99986596    -16.96791472
  H     16.95367236      6.37551341    -12.43296436
  H     18.92844167     12.78309099    -12.96387757
  O     17.84564540     13.33938290    -11.48289970
  H     16.93444322      5.46609949    -13.67688958
  H     18.65205513     10.30643000    -11.21409381
  O     15.80302661      6.35724443    -16.93104717
  H     10.68650280      7.77593940    -12.25825247
  H     17.11702478     10.36891205    -11.33613281
  O     15.81424033      9.81103472    -12.36100521
  H     11.96840470      8.25819034    -11.53933052
  H     14.43776725      6.68528123    -12.60892769
  O     19.33466731     12.26890515    -13.67268865
  H     16.40077382     13.45321310    -12.73077716
  H     12.96233675      6.85337009    -13.04153512
  O     17.86402492     10.66517783    -10.79023921
  H     16.17195732     13.07425610    -14.20489103
  H     16.69359518     10.37702569     -9.32339906
  O     13.80422601      6.46520525    -13.30868822
  H     13.16764797      9.48705907    -14.78481904
  H     15.20455650     10.72677727     -9.05781884
  O     15.94375128     10.18785909     -8.74592269
  H     12.18434749      9.32591905    -13.61166545
  H     15.13281983      3.76439157    -14.57729417
  O     15.44326339      4.66559379    -14.61963410
  H     13.30605568     11.21665390    -13.09077089
  H     14.76864226      5.21143642    -14.18223967
          69
 Energy    -248.21882314413864     
  O     17.97151659      8.80021487    -10.19753471
  H     17.10472660      9.10043603    -10.50402098
  H     17.71599314     12.02193803    -11.43670398
  O     14.41051224      7.86692301     -9.26845030
  H     17.90443782      7.86315104     -9.97386014
  H     18.23931706     11.18828415     -8.07528165
  O     19.43813479      3.69839188    -12.06782949
  H     13.59508853      7.89288344     -8.77416745
  H     18.51055268      9.87092744     -8.87127042
  O     21.43890882      7.42159467    -11.81162420
  H     15.10875697      7.62511168     -8.63488516
  H     19.45496129     10.04443340    -12.60724969
  O     19.34206294      6.23649758    -15.77785342
  H     19.26279479      2.76617348    -12.16889209
  H     18.90413059      8.95824674    -11.66745735
  O     22.57069905      8.85883992     -9.66239371
  H     18.58925613      4.15592927    -12.19010194
  H     20.55440579      4.74792519    -13.23650384
  O     16.43826500      7.07194859     -7.63781209
  H     21.95318466      7.93095660    -11.17315890
  H     21.30216377      6.09574148    -13.16034415
  O     21.12837086      7.26170769     -8.01305005
  H     20.74602856      8.01442159    -12.13597571
  H     15.02788189      9.14993732    -10.45960398
  O     18.84897192      8.22104874     -6.51957654
  H     19.99344475      5.92609063    -15.12513473
  H     15.33414716      9.26650568    -11.98118921
  O     17.87292682      6.05870649     -9.75080633
  H     19.75164361      6.13102036    -16.63160734
  H     16.02355560      7.99375697    -13.77855170
  O     17.17337477     12.58860477     -8.29942165
  H     22.07308679      8.33217152     -9.01081367
  H     14.67777299      8.50433546    -14.34567995
  O     16.87565570     12.15969395    -10.98399379
  H     23.47338283      8.89030760     -9.35609984
  H     20.24576782     10.98213515     -9.17831445
  O     18.81306984     10.40970612     -8.12316663
  H     16.89175719      6.53306047     -8.30343746
  H     21.51113454     10.41949284     -9.85273300
  O     19.33473818      9.09084057    -12.52735602
  H     17.14837165      7.49389243     -7.14216270
  H     14.55371935      6.64344345    -10.79008831
  O     21.00671986      5.40986517    -13.77285798
  H     20.34162824      7.47953768     -7.50054163
  H     14.67180432      6.86519596    -12.30796034
  O     15.51033229      9.66656298    -11.11979372
  H     20.92117783      6.48385222     -8.54639026
  H     18.18462566      7.04164539    -14.71921135
  O     15.12506889      8.27665716    -13.53485861
  H     18.99417518      8.43082997     -5.60003353
  H     18.27392403      8.05175038    -13.53643345
  O     20.87794835     11.14568272     -9.89091789
  H     18.85481985      9.06637643     -7.00258127
  H     19.92651550     12.60485167    -12.53345336
  O     14.68280533      6.18088571    -11.62625220
  H     18.81170708      5.83144681     -9.73825439
  H     20.04056036     11.64499290    -11.32512150
  O     17.68003810      7.44119991    -13.99561493
  H     17.53792182      5.76633922    -10.60746084
  H     16.22764590      5.38205732    -12.09126545
  O     19.52494269     11.84031609    -12.12960119
  H     17.02255157     12.51448976     -9.25767143
  H     17.40068426      5.95251459    -12.92742040
  O     17.15734974      5.23768928    -12.32330073
  H     16.94486191     13.48334838     -8.06457461
  H     20.86268557      6.10233258    -10.68277941
  O     20.53509922      5.41242042    -10.08572559
  H     16.34892195     11.35917405    -11.10535489
  H     20.27778635      4.67395160    -10.65108216
          69
 Energy    -248.21879068087026     
  O     -2.64704252     -0.00451712      2.95208639
  H     -2.94945451      0.27479970      3.82643477
  H     -2.00602258     -2.93185307      7.56921529
  O     -2.42797207      3.57093411      5.08537228
  H     -2.45000288     -0.95264959      2.98686954
  H     -0.57539516     -0.08343713      7.04981912
  O      2.53306918      0.88209318      3.02804900
  H     -2.87922318      4.41026162      5.03140889
  H     -1.76084944     -0.65816653      7.86515306
  O      1.13553218     -1.57444336     -0.17006012
  H     -1.63182373      3.65069274      4.53438814
  H     -0.66721126     -3.65877782      5.69456042
  O     -1.88761443     -2.64152989      2.94885782
  H      1.59642367      0.71134550      3.22074119
  H     -2.14949292     -4.08676551      5.70986368
  O     -1.48102539     -2.13999060      0.21596875
  H      2.51741896      1.66139271      2.46224688
  H     -1.39856003      3.20504453      6.74717425
  O     -2.46281464      0.57004990      0.30489310
  H      0.20910179     -1.85822635     -0.07034170
  H     -0.99279222      1.99135076      7.59814826
  O     -0.02393146      3.59695176      3.71121609
  H      1.47114961     -2.00530343     -0.95183311
  H     -3.82497831     -1.86432297      6.93790035
  O      1.62853884      3.09409327      1.44960799
  H     -1.06497791     -2.67702701      3.45770194
  H     -4.16189036     -0.76965548      5.90470354
  O      0.44380287     -2.71262870      4.47175849
  H     -2.55348902     -3.14425133      3.43461683
  H     -0.95054654      0.51622616      3.39840804
  O     -3.73896399     -3.85589240      4.63191716
  H     -1.91822778     -1.28494569      0.12395234
  H     -0.14173454      1.78741888      3.78814776
  O     -2.46120710     -2.34174430      8.19662267
  H     -1.64550351     -2.43180775      1.12356447
  H      2.49631045     -1.01729652      2.63493602
  O     -1.41343275      0.15258983      7.47527831
  H     -2.60653487      0.44948154      1.25971509
  H      1.84051133     -1.87377617      1.54996758
  O     -1.38395742     -3.93769411      6.27860848
  H     -3.26008025      0.95722232     -0.04693261
  H      2.15907837      2.65559998      5.96177010
  O     -0.75499346      2.90616294      7.39926702
  H      0.50391174      3.57143340      2.90451844
  H      0.83805694      3.21878532      6.55443674
  O     -4.34764492     -1.68508753      6.14513658
  H      0.59205207      3.62450536      4.46481473
  H      3.11412772      0.99718529      4.73515520
  O     -0.11651420      0.82140277      3.77059741
  H      1.14322621      2.42318520      0.93413795
  H      4.16447419      0.91887438      5.86715275
  O      2.15893878     -1.90370732      2.46096301
  H      2.03464615      3.68260790      0.81913723
  H      0.69605688      0.27417295     -0.00598381
  O      1.53782066      3.38841357      5.90487329
  H      0.59685045     -1.99611920      5.10231905
  H     -0.63628794      1.03785153      0.12326505
  O      3.23406583      1.04373248      5.69873385
  H      1.08534810     -2.57158946      3.75950103
  H     -3.11081869      1.82500482      5.35070038
  O      0.32093587      1.15648107      0.10368356
  H     -4.49205125     -4.43332898      4.54407499
  H     -2.60168160      0.62345297      6.17598304
  O     -3.24672232      0.88124752      5.50022879
  H     -4.03693024     -3.07380720      5.13074127
  H      1.70764534     -0.01548449      6.10587263
  O      0.83251194     -0.40702210      6.00741056
  H     -2.53615645     -2.81791040      9.01898966
  H      0.42638403      0.04234861      5.24710866
          69
 Energy    -248.21873507084698     
  O     11.05271638      9.77229718    -10.46733334
  H     11.06421067     10.70355821    -10.75562370
  H     13.98180199     12.46085792    -14.84870416
  O     13.26206994      8.83216353    -16.99713849
  H     10.19543601      9.61511321    -10.07752230
  H     17.78391011     10.03981992    -10.73098207
  O     14.05541079      8.64315552    -14.30727574
  H     13.08940354      9.78363998    -17.11097699
  H     16.82797829      9.32985281    -11.70518488
  O     13.70168207     13.39654132     -8.60813602
  H     13.60362676      8.51388015    -17.82855770
  H     14.65266051      9.60472785    -11.55221227
  O     12.55329924     11.46197236    -17.23616209
  H     13.88855024      8.56909520    -15.25512599
  H     14.81005033      8.44406901    -12.55121366
  O     11.56643120      9.27658825    -13.25749411
  H     13.19383686      8.81580577    -13.89610400
  H     12.94394706     14.34127490    -10.07923450
  O     15.32575851      8.95533031     -8.84794923
  H     13.87009948     13.77164823     -7.74680194
  H     13.11504371     14.80128694    -11.56026668
  O     14.12333984     11.37664673    -11.65946122
  H     14.56689673     13.16422337     -8.98595657
  H     17.79009772     10.97773818    -12.91949245
  O     13.05137454     10.50335032     -8.47746932
  H     12.86021325     12.15485612    -16.63901071
  H     18.58194433     11.56544428    -14.11404656
  O     16.56153369     13.88628114    -12.32237281
  H     11.59275597     11.43570322    -17.13994298
  H     10.45211092     11.71197100    -14.93263073
  O     11.38160136     12.24085517    -11.47859270
  H     11.41620078      9.26462340    -12.30567864
  H     11.78467693     12.36555320    -14.47249189
  O     13.30888195     13.13739816    -15.02905974
  H     11.39548043     10.18139879    -13.55716932
  H     15.32478129     12.06973635    -10.52290146
  O     17.65986704      9.82042965    -11.66174670
  H     14.52822769      9.46019928     -8.62924418
  H     16.53207371     11.90973363     -9.54469356
  O     15.05753728      8.73096458    -11.66484124
  H     15.19969352      8.63030351     -9.74779926
  H     14.84298483     10.29467618    -14.33683329
  O     12.46627449     14.64013924    -10.86430183
  H     14.42032009     11.46317418    -12.57537106
  H     16.03344146     11.31315730    -14.16964089
  O     17.75683388     11.63184842    -13.64183236
  H     13.20945206     11.67755061    -11.60976364
  H      9.98876931     10.11970886    -16.34730319
  O     10.99873346     11.89335759    -14.15960549
  H     12.38679988     10.22755861     -9.11946129
  H      8.95024882     11.06873531    -16.99650857
  O     15.92904634     12.55351376     -9.93573369
  H     13.12140864     11.46167514     -8.54216409
  H     18.10396203     10.32344743     -8.16598214
  O     15.07848163     11.23067265    -14.28414452
  H     17.04498820     13.21097541    -12.81170081
  H     16.75480102      9.89710391     -8.79827778
  O      9.79231161     11.05203102    -16.55075220
  H     16.45297788     13.53575610    -11.42784428
  H     15.08636176     14.64162072    -12.86075866
  O     17.52246306     10.49140657     -8.90145034
  H     11.63468671     13.14407215    -11.24024106
  H     14.41474510     15.95559573    -13.31577498
  O     14.23596575     15.03855498    -13.12014806
  H     11.11021397     12.23902143    -12.40668226
  H     10.84290171      8.60948898    -14.90640310
  O     10.64229280      8.56515226    -15.85054188
  H     13.53519526     13.88516421    -14.46379210
  H     11.49620831      8.48978004    -16.29533706
          69
 Energy    -248.21855491250273     
  O     19.75089652      9.93097939    -14.50238641
  H     18.90603205      9.79850713    -14.94714670
  H     18.52884184      3.45439419    -12.89045889
  O     21.62275178      6.95937054    -11.39938117
  H     20.10386620      9.04388034    -14.33410182
  H     18.90648595      7.08946346    -12.94129917
  O     15.43504713      8.81133489    -10.37355556
  H     21.15960692      7.63833126    -10.88520801
  H     17.74697467      7.94690505    -12.37743339
  O     14.21658700      9.54315251    -15.06767682
  H     21.37615060      6.10614108    -11.02685992
  H     14.45157048      6.35468684    -14.44583944
  O     17.03257528      9.19901722    -15.13279592
  H     15.12027658      7.92634391    -10.60918741
  H     13.85704266      7.67985665    -14.97528812
  O     18.31103920      5.84369454     -9.99883574
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  H     17.77211834      8.15508950     -7.80391163
  O     14.49842512      6.31581327    -11.25970739
  H     13.67936536     10.18424128    -15.52657113
  H     17.89871973      7.31001402     -9.09224625
  O     20.61297967      4.39445908    -10.56273042
  H     14.02400763      9.64966531    -14.11948912
  H     19.05840335      5.60244230    -15.62009166
  O     16.07642727      4.18673875    -10.30057679
  H     17.09155129      9.35180208    -14.17717715
  H     20.23814062      4.78573432    -16.19849086
  O     16.66311704      3.09678459    -12.70588816
  H     16.10388020      9.36027592    -15.33478650
  H     12.90763369      8.83632158    -12.35038587
  O     20.49422402      7.35244457    -13.82217330
  H     19.12665809      5.32780209    -10.01383310
  H     14.09513908      9.51911263    -11.65190498
  O     19.45827918      3.70986351    -12.91891013
  H     18.23520115      6.25133585    -10.87629355
  H     19.31758074      8.83251378     -9.67048927
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  H     14.99187150      6.12258387    -12.06778764
  H     19.97879743      9.70941220    -10.75317385
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  H     19.80272028     11.92922549    -12.01367609
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  H     19.66837975     10.69282150    -12.93522859
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  H     16.75667313      6.15155137    -13.26738549
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  H     15.38562132      4.84586204    -10.44671017
  H     16.16952774      4.71624614    -13.42634862
  O     20.13916650      8.97156308    -10.15172838
  H     16.86681638      4.69354400    -10.06717162
  H     16.92789511      6.09999937    -15.27587921
  O     19.49575128     11.02721462    -12.03571728
  H     16.29641082      2.22283129    -12.80925217
  H     17.48170361      7.46531548    -15.69161544
  O     16.00376123      5.64834401    -13.61958898
  H     16.45097441      3.38913138    -11.80051520
  H     12.55016141      6.92750597    -13.33730361
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  H     21.02005318      7.18888379    -13.02251312
  H     11.19669871      6.80987901    -12.59004402
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  H     16.51748905      9.49093010    -11.65102585
  O     17.11970994      9.62214461    -12.39427660
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  H     17.83858514     10.20961989    -12.12810919
          69
 Energy    -248.21843247649684     
  O     -1.48121395      3.67742993      2.62225241
  H     -1.11855356      2.87644996      3.01908073
  H     -0.49761711      8.31271127      0.98748493
  O     -2.99712143      5.95399276     -0.36012512
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  H      1.89126444      1.43224420      1.36296748
  O      4.32627921      5.60253501      1.27672076
  H     -2.21238416      6.04052947     -0.92282565
  H      0.59685158      1.11396279      0.56565478
  O      1.98272235      6.83730392      2.25286533
  H     -2.85735985      6.56866079      0.36964895
  H      1.02543232      8.23994334     -0.87450714
  O     -0.55804033      5.92830880     -1.62562017
  H      5.24008726      5.87396076      1.29327228
  H      1.48417016      8.74312716     -2.26590403
  O      1.73238612      3.51098286     -0.85957400
  H      4.01258732      5.72784069      0.36156047
  H     -1.70122647      1.14079220     -4.10254340
  O      0.29806065      5.04211022      0.88328573
  H      1.81343268      6.61068485      3.17668034
  H     -1.80662549      2.52591307     -3.41340135
  O     -2.21126648      7.75776024      1.69248035
  H      2.83951456      6.46501968      2.00875491
  H      1.16278186      2.70995710      3.97881638
  O     -0.48391548      1.79233554     -0.84480441
  H     -0.28962809      5.61165265     -0.75042680
  H      2.29407599      3.26086806      3.08849828
  O     -1.37368819      6.20019298      3.74817141
  H      0.04236792      6.65144307     -1.84017048
  H     -4.52378803      3.90689528     -2.30669187
  O     -2.70094669      3.23355661      0.21222979
  H      1.06528432      2.85951337     -1.10197682
  H     -4.09833208      5.30211600     -1.80665288
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  H      1.28589778      4.07356858     -0.20382371
  H     -2.68795173      4.50678844     -3.34810944
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  H      0.83579481      5.68157925      1.36645333
  H     -1.22694678      4.77485464     -2.93348904
  O      1.36619155      7.95534066     -1.74251863
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  H     -0.40474684      0.62692123      4.15988769
  O     -1.92089146      1.56464672     -3.27798466
  H     -2.76646415      8.44818186      2.04705554
  H      0.24219760      1.12451382      2.84271503
  O      1.82554436      3.40758232      3.92013988
  H     -1.91443602      7.22562661      2.45211743
  H      1.48800329      4.98412296      4.51761589
  O     -4.36320541      4.81213007     -2.59675386
  H     -0.86036440      1.54536606     -1.69714701
  H      1.61716772      6.01155846      5.66939245
  O     -1.77628459      4.21838461     -3.49956817
  H     -1.15629286      2.34125570     -0.41825406
  H      3.71685408      3.76730409      1.51152781
  O     -0.19715360      1.41330179      3.66369554
  H     -1.52412341      5.29052699      3.45169983
  H      2.74172385      3.06797652      0.57091831
  O      1.29091626      5.90233046      4.78066388
  H     -0.51888370      6.18924406      4.19237134
  H     -4.88596795      1.28545171     -1.86033024
  O      3.16180323      2.98127311      1.43986082
  H     -3.32709388      2.75946845     -0.34698442
  H     -3.49499477      1.75285510     -2.34458422
  O     -4.24950443      1.99184379     -1.78259328
  H     -2.81900244      4.17697093      0.02735681
  H      2.75479094      5.04066284     -1.31650472
  O      3.24767859      5.86233147     -1.18772521
  H      0.99255003      8.07699984      1.32077994
  H      2.65489985      6.58427705     -1.42828139
          69
 Energy    -248.21841119130232     
  O     15.69620137     11.70037107    -11.88576752
  H     16.53265382     11.27475994    -11.66802733
  H     16.60465475      4.36907870    -16.84279820
  O     13.37693266      7.03402124    -14.28502587
  H     15.56469308     11.57083785    -12.83585463
  H     19.32192308      8.92507658    -14.06065818
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  H     14.18474488      7.54625237    -14.12782810
  H     18.54188460     10.10435347    -14.67449707
  O     19.74853823      7.16609681    -14.60400347
  H     13.66332551      6.11479709    -14.21896238
  H     16.02526061      8.18523629    -12.89967805
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  H     16.17234518      4.77469541    -11.03327535
  H     15.62190191      9.25876610    -13.95865864
  O     13.49584253      5.96708149     -8.99357614
  H     16.55765721      6.20667335    -11.50250595
  H     14.28399241     11.46480051    -10.93209258
  O     11.99656220      7.58905267    -11.95520476
  H     20.64022920      6.93500588    -14.85072278
  H     13.29576855     12.01088288     -9.87329501
  O     16.44388213      7.95751476    -11.15676665
  H     19.35553275      6.36903119    -14.20435804
  H     13.87810062      3.49074603    -11.07490396
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  H     12.88315368      8.89785045    -15.02529341
  H     13.63351029      3.76866788    -12.57139555
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  H     12.44574225     10.12382248    -14.20554469
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  H     17.90705386      4.68411764    -14.48960042
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  H     17.87923684      5.01059977    -12.98346119
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  H     11.64545313      6.77765500    -11.57054945
  H     15.28090032      4.53548386    -14.62070156
  O     13.48921732     11.24831657    -10.41122051
  H     17.03437238      8.71750780    -11.08738626
  H     15.33562489      4.89839627    -13.12124402
  O     13.19193464      3.50327568    -11.75387514
  H     15.59319959      8.18698113    -10.75310943
  H     14.61479110      4.69710893     -9.38884284
  O     11.74351837     10.33552879    -12.54345925
  H     17.69030449     10.51145079    -17.21724460
  H     15.42028735      3.44666141     -8.95907429
  O     18.46491299      4.95568539    -13.75188451
  H     17.34972912      9.26009995    -16.37950239
  H     13.27541795      8.17160899    -10.82826484
  O     14.73693327      4.61589851    -13.82910928
  H     11.92895276      4.53295112    -11.12593029
  H     13.77852416      9.44802526    -10.11546116
  O     15.17081919      3.96717615     -9.71752911
  H     10.50446378      4.71166213    -10.54683867
  H     18.44055595     10.10808886    -12.26077306
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  H     16.72680672      7.70438401    -15.16948308
  H     18.80531700     10.56817749    -10.83008418
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  H     16.76703294      5.70180018    -16.07943146
  H     14.47488430     10.67712817    -14.82821069
          69
 Energy    -248.21808766841343     
  O     -1.31977363      4.44312825      2.57833140
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  H      0.14336400      1.13847498      1.88996574
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  O      2.94228432      6.19669731      1.35056760
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  H      2.14678557      6.54889563     -1.81510771
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  H      0.96557093      5.71197010     -2.26274635
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  H     -3.97491693      2.04636997     -2.75021867
  O     -0.65153066      7.83862258      0.69897359
  H     -1.42410628      5.72817924     -1.26548099
  H     -3.48039223      1.47994862     -1.41057752
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  H      2.98922991      3.30526115      4.95615710
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  H      2.94178397      2.90336604     -3.29672164
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  H     -1.11014981      6.06571292      3.22337137
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  H     -6.61632040      3.25226199     -0.47023958
          69
 Energy    -248.21798335975555     
  O      3.43642814      0.30119698      2.75467849
  H      3.18424166     -0.62089798      2.62778951
  H     -0.56706623     -1.34576434      0.97279396
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  H     -4.31641274     -3.15571776      1.77974772
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  H     -3.53773330     -1.83621282      1.91095326
  H      3.07859395      1.89293133     -3.36848586
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  H      3.41584618      3.28889984     -3.93685902
  O     -0.97038244      1.06694221      3.03794020
  H      1.93713968      2.61426263      4.24773392
  H      1.18481297      3.21703735     -2.79461541
  O     -2.05761008      2.41882035      0.95610624
  H      0.34294616     -4.15192096     -2.25440345
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  H      2.53562733     -2.94172777      0.63002612
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  H      0.89792205      3.58732305      0.54834936
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  H      6.26978714      1.21535147      0.87171594
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  H     -2.18103508      0.86017059     -1.94565146
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  H      1.47337238     -1.88702267      2.16587087
  H     -2.32541101     -2.37390059      0.22105187
  O      3.16566896      0.15801311     -3.54535621
  H      2.12487320     -2.87528412      3.16241125
  H      3.77655262      2.97324756     -1.46206424
  O      5.35068590      0.99604058      0.74740628
  H     -0.59636854      0.47109934     -3.39062738
  H      3.24548732      3.11402563     -0.02472914
  O     -1.66602334     -1.91968947     -0.32539297
  H     -1.58224022      1.01246233     -4.45413573
  H      1.44739903      1.38436142     -0.08283090
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  H      4.53238388     -0.22223148     -0.42065117
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  O      1.38824465      0.47346980     -0.39392085
  H      3.02627350     -0.23937131     -0.74482145
  H     -0.69359772      5.40824555     -0.36371965
  O     -0.49937460      4.48383136     -0.23827657
  H     -0.31038754     -0.31795232      2.12784756
  H     -0.26112343      4.12414191     -1.11318503
          69
 Energy    -248.21776025572308     
  O     -2.46951507      1.36899446      3.39517475
  H     -2.59712483      1.40010742      4.35375578
  H     -5.03515533     -1.18054472      4.32987148
  O     -1.30519489      3.84867906      6.59674367
  H     -2.63969980      0.46490956      3.10039703
  H     -2.64458714     -3.46402157      7.15354524
  O      0.93178238     -1.28228247      1.73198222
  H     -1.51681619      4.65473909      7.05952926
  H     -2.09087849     -2.74495028      5.90356344
  O      3.50309567     -0.22068090      2.21185701
  H     -1.01542613      4.10421083      5.70221452
  H     -0.12846722     -0.66127943      6.73982072
  O     -1.31638098     -0.52130615      0.22823425
  H      0.75994749     -0.60172240      2.39987446
  H     -1.43802196     -1.12887736      7.39353136
  O     -2.63687925     -1.27291903      2.53520107
  H      0.28591965     -1.11678704      1.03538177
  H      0.10392964      2.68685840      7.14969417
  O     -1.92053054      3.52141070      1.83630048
  H      3.35191917      0.65024994      1.82719621
  H      0.26028759      1.20792701      7.54826807
  O     -0.45039816      4.43967544      4.11183417
  H      2.73804959     -0.74187879      1.93597406
  H     -3.92938690     -1.39281296      6.28855721
  O      1.87762237      2.99688874      3.72499829
  H     -1.82833767     -0.80718128      1.00390411
  H     -4.02730226      0.12704314      6.06878289
  O      2.66549904      2.32291890      1.13568944
  H     -1.73881484     -0.90934864     -0.53419331
  H     -0.66491754      1.00873027      3.50945197
  O     -1.09138119     -2.75074799      4.41446440
  H     -2.11205805     -1.78122615      3.16668230
  H      0.80144274      1.51569376      3.63131085
  O     -5.19343218     -1.47719708      3.41673695
  H     -3.57197237     -1.42220097      2.74443250
  H      1.23591478     -4.43745516      2.46349872
  O     -2.54852545     -2.60495447      6.74999114
  H     -2.20721497      2.76255306      2.37512573
  H      0.69016941     -3.02809317      2.18815175
  O     -0.83686051     -0.37760168      7.34028176
  H     -2.71005888      3.91427584      1.47252643
  H      2.30909096      2.02371202      6.54039221
  O      0.75968221      2.01146368      7.36193497
  H     -0.95079289      4.26517263      3.30719176
  H      3.79137439      2.45299402      6.61899606
  O     -4.50775153     -0.70051796      5.94339940
  H      0.41972057      4.03657164      3.97788072
  H      3.64092340     -0.48759140      4.03963818
  O      0.25260637      0.72350956      3.58214138
  H      2.31502693      2.83608866      2.87895644
  H      3.52378549      0.29281212      5.36707891
  O      0.43168592     -3.92356974      2.46133592
  H      2.45566707      2.71541612      4.44629761
  H     -0.41122120      1.19406475      0.28661531
  O      3.14111104      2.06929509      6.03606633
  H      1.74717637      2.19564779      0.83762910
  H     -0.58409025      2.62524706      0.82393453
  O      3.55548593     -0.59771046      4.99809167
  H      3.11743740      2.78513566      0.43460561
  H     -2.30393935      2.30813820      6.35222877
  O      0.04757513      2.03508827      0.39436568
  H     -0.36058707     -2.23539388      4.78907656
  H     -1.99832944      0.80552094      6.55206110
  O     -2.62580325      1.42129538      6.14708379
  H     -0.67986623     -3.34138233      3.76830954
  H      1.88764108     -1.15247440      5.37285427
  O      0.92189259     -1.15260539      5.41172595
  H     -6.12190623     -1.68320808      3.36141124
  H      0.64674610     -0.43483969      4.81941418
          69
 Energy    -248.21768531873605     
  O     17.28306689     10.73098315    -18.23506913
  H     17.22065825     10.07715338    -18.94134339
  H     20.28320838     10.27277599    -17.01413229
  O     14.98089305      5.99060353    -14.12921436
  H     17.20269418     10.24095727    -17.39979340
  H     16.17876253      9.64956265    -15.40119267
  O     17.64734860     12.83554844    -11.88994879
  H     15.02067926      5.04729766    -13.98625301
  H     17.72517018      9.61059796    -15.17663833
  O     21.01821266      8.24735853    -14.49558262
  H     15.65028535      6.18222667    -14.80114943
  H     15.68257282     11.64007083    -17.91943063
  O     15.21335377      7.46821078    -18.15796331
  H     17.99043741     12.87500232    -12.79079984
  H     15.00194334     12.33303469    -16.71915995
  O     14.86456698     10.62732269    -10.98848445
  H     16.70957167     13.05519724    -11.95746293
  H     16.63828101      8.30745548    -12.19741312
  O     14.87356472      8.32044236    -12.62836602
  H     21.94453316      8.14869261    -14.29543576
  H     17.67210963      9.02488303    -11.29210393
  O     18.30996240     12.47175561    -14.64641736
  H     20.96179216      8.62197193    -15.39448698
  H     13.90197172     10.44318440    -17.47700586
  O     18.77634104      6.53755274    -13.90403129
  H     15.66791134      7.05066307    -17.41796829
  H     12.58030924      9.64354833    -17.60067516
  O     14.53417870     10.02753490    -14.73444187
  H     14.60180008      8.12002593    -17.79231113
  H     18.07708965     10.81828801     -9.46947832
  O     17.01244183      6.72248521    -15.98313775
  H     14.72681933      9.78522572    -11.44085619
  H     17.74482536     11.39974927    -10.86244882
  O     20.62497685      9.38345580    -16.88456067
  H     15.75202835     10.58082607    -10.61175658
  H     19.71018969      9.45030525    -14.01905819
  O     17.02455318      9.44791813    -15.82169047
  H     14.69656470      8.94756541    -13.34638580
  H     18.42082097      9.42871050    -13.15948113
  O     14.82449474     11.92506055    -17.57654214
  H     14.80783518      7.44284998    -13.02836586
  H     14.73886339     12.17713035    -11.79166427
  O     17.58297151      8.36616476    -11.99316963
  H     18.55355429     11.60554171    -14.28184744
  H     14.18306843     13.62044118    -11.76750184
  O     13.47819780      9.58700180    -17.28373935
  H     18.74254198     12.51171450    -15.50675368
  H     18.36399223      7.80708603    -18.79857865
  O     17.64972034     10.61300339    -10.29682491
  H     19.60345372      6.99169905    -14.10858133
  H     18.37714615      7.07079748    -17.44852045
  O     18.89887774      9.93744291    -13.82887029
  H     18.39690628      7.01094662    -13.15278915
  H     16.47279920     12.58899605    -14.85069067
  O     14.80610005     13.05284828    -12.21322869
  H     14.03412450      9.83020346    -15.53685637
  H     15.19990965     12.89580180    -14.01735226
  O     18.94242263      7.53073717    -18.07776517
  H     14.78155057     10.96276047    -14.75962485
  H     19.86486905     12.64858198    -17.86608996
  O     15.50623191     12.61788046    -14.89066717
  H     16.98803215      7.69302547    -15.98659627
  H     18.68467989     11.66571692    -17.69260540
  O     19.45004437     12.05966129    -17.24005762
  H     17.65627923      6.49179270    -15.29392520
  H     16.80501921      8.24277932    -20.82030938
  O     16.98120668      8.51340890    -19.92372017
  H     20.05404552      8.77340686    -17.37665348
  H     16.29365887      8.10803187    -19.36439009
          69
 Energy    -248.21757842997744     
  O     15.88929250     10.52070479    -16.78337497
  H     15.53053361     11.06288277    -16.06821815
  H     18.18855821      5.58470316    -16.38383264
  O     15.58505522      5.60908709    -14.19714497
  H     16.79565781     10.82049672    -16.93560830
  H     17.63541380      5.62009931    -11.42581220
  O     17.55915299     14.28776408    -12.35751651
  H     16.15810808      5.54345581    -14.97420411
  H     18.27655186      6.34608601    -12.63000322
  O     19.74638278      9.18353761    -14.79012341
  H     16.15930508      5.82906190    -13.45481617
  H     17.17229268      7.56783839    -15.68362813
  O     16.56249130      7.13618405    -18.80518114
  H     17.75984764     13.86246254    -13.20227920
  H     16.74339697      9.05862402    -15.93087156
  O     16.36913160     11.47104769    -10.31484967
  H     16.62629608     14.09911750    -12.19638656
  H     17.14550360      8.08391903    -11.63732814
  O     15.06609028      9.09586672    -13.65282580
  H     19.69991221      9.74391014    -14.00433176
  H     16.15009074      9.09675179    -12.22015804
  O     17.87752027     12.45020905    -14.48087413
  H     18.83404329      8.89659616    -14.96778630
  H     14.10180262      7.88270474    -16.65529254
  O     19.67763738      6.52440184    -13.64423355
  H     15.76014529      7.50230867    -18.39145050
  H     14.80624286      9.10859457    -17.29781178
  O     13.51104362      7.17781556    -14.95000101
  H     16.31232390      6.83969305    -19.67645530
  H     19.55137748     13.17623468    -10.07010594
  O     19.98451326      5.24302268    -16.17284633
  H     16.50608071     10.56102990    -10.60802703
  H     18.51182040     13.36143966    -11.20275264
  O     17.27026365      5.88352226    -16.40673114
  H     17.24964451     11.86093525    -10.24748513
  H     18.28869534     10.07383289    -12.25856356
  O     17.46979020      6.28720685    -12.08787519
  H     14.35431356      8.52873321    -13.97088154
  H     19.13614895     11.31591334    -11.88354887
  O     17.16595907      8.45639505    -15.30451614
  H     15.85480456      8.81655233    -14.14611572
  H     15.38560009     12.53614800    -11.30757636
  O     16.90581277      9.01826681    -11.61950272
  H     18.28519459     11.83701200    -13.85319692
  H     14.20808539     13.53285794    -11.42618066
  O     14.47524984      8.21745562    -17.47852160
  H     16.93076947     12.24923280    -14.46936961
  H     20.63699932      8.25047792    -16.20995114
  O     18.94466730     12.70175020    -10.63146154
  H     19.82830913      5.97291222    -14.42175370
  H     20.19188842      8.04311377    -17.67061531
  O     18.98144535     10.66761281    -12.58153062
  H     19.86435983      7.42736388    -13.92476520
  H     15.05097615     10.84988403    -14.04991865
  O     14.94544451     13.16567650    -11.90666633
  H     14.20654265      6.55458104    -14.66963670
  H     14.96975016     12.32060153    -13.57877968
  O     20.76107674      7.67789327    -16.97642490
  H     12.67754713      6.72792057    -14.84201844
  H     18.44338936     11.76591178    -16.11927162
  O     15.16735578     11.76602761    -14.34394513
  H     20.57317783      4.55190176    -16.46188983
  H     19.18018569     10.45045244    -16.30155584
  O     18.64048585     11.08825598    -16.78272081
  H     20.33447119      6.08244529    -16.52666558
  H     18.70832377      9.70659097    -18.28351271
  O     18.90217457      8.84170640    -18.65976204
  H     17.07199124      6.17394129    -17.30662378
  H     18.06721377      8.36322942    -18.72627039
          69
 Energy    -248.21754908568965     
  O     12.68499597      2.84786761    -12.20040688
  H     11.93223284      2.28129776    -12.40925156
  H      8.08618771      5.70311255     -9.28806440
  O     13.09145592      2.97813859     -9.47659718
  H     12.46361651      3.71676033    -12.55764370
  H     11.87916367      5.77424729     -9.69157998
  O      7.98781185      6.35477146    -13.44472778
  H     12.49534052      3.72894596     -9.32784121
  H     11.36355080      5.43738162     -8.24809898
  O     15.33442657      7.01116067     -9.88515782
  H     13.07749710      2.82724396    -10.43286933
  H     13.96731943      6.04472111     -5.25893141
  O     11.01027221      5.79284273     -6.46090459
  H      8.29115888      5.47350038    -13.18861224
  H     12.73272811      5.94810762     -6.18333941
  O     10.23434538      1.39023906    -12.60212373
  H      8.75915533      6.80043901    -13.81803769
  H     10.23631610      1.19587622     -9.24589570
  O     11.50584507      1.45514566     -7.84711943
  H     16.20508244      7.06288085    -10.26854501
  H      9.26071981      2.21350617     -9.85177424
  O     11.66047842      5.45270977    -12.90768015
  H     15.29461891      6.17827455     -9.38004193
  H     13.76315762      7.68971198     -7.23507716
  O      7.28013476      7.97944781    -11.40077024
  H     10.47975689      4.98151406     -6.47843274
  H     14.42091819      8.08165685     -8.56033813
  O      9.95038573      8.98726437    -11.70407979
  H     10.43141236      6.54440528     -6.64452177
  H     14.55820431      5.11068049     -7.58979131
  O      9.28726782      4.04759175    -12.51622298
  H     10.01297988      0.58124900    -13.05489072
  H     14.44912515      4.07138672     -8.74102112
  O      7.82482794      6.59352254     -9.02555175
  H     10.01912276      1.25604469    -11.66168407
  H      9.83531581      4.44290382     -9.54917218
  O     11.42099435      5.11502872     -9.15510446
  H     12.15054626      1.92238561     -8.40573559
  H      8.91035750      4.09650685    -10.73316983
  O     13.69745153      6.06805894     -6.17381211
  H     11.98877170      0.78425217     -7.37146818
  H     13.64492519      6.95693176    -10.58995590
  O      9.60428106      1.31792592     -9.96400765
  H     11.30836031      6.14404546    -13.48188720
  H     12.24640225      7.62161856    -10.37841018
  O     13.77976601      8.38366124     -7.90477152
  H     12.07222692      5.93047103    -12.17253834
  H      9.12165837      3.58529358     -7.73307505
  O     14.99155586      4.78936908     -8.39070146
  H      7.45800705      7.37079975    -12.14024593
  H     10.25695925      2.73726114     -7.14165453
  O      8.95447492      4.09557409     -9.76611815
  H      6.48447055      8.45537039    -11.62397065
  H     10.70567831      8.50807464     -8.61564056
  O     12.70829392      6.89341689    -10.81675055
  H      9.04182799      8.73925306    -11.49178833
  H     12.22249306      8.78177453     -8.73629641
  O      9.64307047      3.45452520     -6.93466187
  H     10.42446739      9.04911904    -10.86677512
  H     10.66077555      8.34040733    -14.73564355
  O     11.39325999      8.77011264     -9.23949929
  H      9.49808898      3.12256733    -12.69072115
  H     10.33471102      8.20189704    -13.22992835
  O     10.42597803      7.70604560    -14.06398802
  H     10.11959109      4.53682919    -12.60624948
  H      8.91900984      8.54266512     -6.84089057
  O      9.43277232      7.91731444     -7.34508323
  H      7.57725600      7.05881700     -9.83522798
  H      8.81151820      7.44280000     -7.92795693
          69
 Energy    -248.21752871181724     
  O     15.66278414      9.81805218    -16.54310543
  H     15.46174400      9.02709553    -17.06801244
  H     16.96564711      5.26530325    -15.78428936
  O     16.54881252      4.50019799    -14.14410409
  H     14.88332865      9.94101364    -15.97707381
  H     19.65933311      4.53917485    -12.55352106
  O     15.69015297     11.44020777     -9.54874783
  H     17.39645674      4.61336206    -13.69287218
  H     19.47510873      5.70920422    -13.54567452
  O     19.53184990      9.27400808    -13.86630562
  H     15.95540269      5.14165148    -13.73852967
  H     19.24636915     10.94047294    -16.29564299
  O     15.01703126      7.35314095    -17.55209492
  H     15.82320090     11.48567824    -10.50627804
  H     20.17465628     12.12696532    -15.93001105
  O     16.29093743      7.87053337     -8.91557971
  H     14.97287920     10.80900914     -9.41447927
  H     17.91918354      8.58469152    -14.46243032
  O     15.19911754      6.95282438    -13.22591300
  H     19.28565160      9.45451008    -12.94862954
  H     16.61901885      8.85203407    -15.28909709
  O     16.25099681     10.96614567    -12.26015735
  H     19.63269609     10.11096351    -14.33569484
  H     13.56693835      9.64903112    -13.92594886
  O     20.26060672      6.74990298    -14.70715989
  H     15.74859709      6.76118779    -17.33294497
  H     13.20293855      8.76399669    -15.12264019
  O     13.28109727      6.81303997    -15.31809148
  H     14.31711088      7.12334736    -16.92812989
  H     16.55415079      6.83380208    -11.90035332
  O     19.40400506      7.10815270    -17.47049695
  H     16.92271771      8.57192913     -8.71254462
  H     17.97977319      6.25159024    -11.77296493
  O     17.18785437      5.98440708    -16.38887787
  H     16.66833916      7.37907828     -9.65591674
  H     17.16591567     10.73253143     -8.93098056
  O     19.02262403      5.17591973    -12.86850295
  H     14.73128848      7.67659014    -12.78130639
  H     18.39412307     10.65959151     -7.98969923
  O     19.55728475     11.50154701    -15.56119418
  H     15.88595167      7.37376918    -13.77098570
  H     18.07990200      8.52650622    -11.35061356
  O     17.07637024      8.20478728    -14.73685643
  H     17.03336233     10.45667759    -12.01235081
  H     18.43344429      9.73106768    -10.43827706
  O     13.48336811      9.65680689    -14.88756847
  H     16.41919395     11.35427648    -13.13017590
  H     13.28692558      8.93575107     -8.67703445
  O     17.34763419      6.84835026    -11.35137153
  H     20.15829702      7.65456018    -14.37625871
  H     14.72770238      8.63701928     -9.15730467
  O     17.95188161     10.20419088     -8.70041795
  H     20.11539948      6.80760740    -15.65707363
  H     18.77778135      8.92747739    -17.46466727
  O     18.43067941      9.42896555    -11.35473650
  H     12.62491425      6.13535315    -15.17126067
  H     17.52612042      9.83802074    -17.31975635
  O     13.92844544      9.16102620     -9.34522085
  H     13.91111491      6.75100405    -14.58474453
  H     13.89669449      9.19364463    -11.20784493
  O     18.48516749      9.84578352    -17.41020501
  H     18.62679240      6.58724070    -17.20373614
  H     14.86703976      9.85635679    -12.21706856
  O     14.13028499      9.22901244    -12.14272547
  H     19.75133678      6.69790291    -18.25902518
  H     17.76543858     11.86491223    -15.02792027
  O     16.82833214     11.83249317    -14.79968136
  H     17.21445251      6.77621676    -15.82770225
  H     16.40115446     11.34232670    -15.51043168
          69
 Energy    -248.21750485887623     
  O      9.65912669     10.14096896    -11.85102426
  H      8.77779471      9.97919825    -11.52561965
  H     10.97603635     13.49842603    -16.39586616
  O     14.35422628     10.49710566    -12.85929064
  H     10.25667407     10.09465588    -11.08311342
  H     14.53424977     13.54926248    -13.11504404
  O     17.40190430     12.17058340    -13.16328485
  H     15.21094181     10.43948840    -12.41806364
  H     14.63254300     14.55368950    -14.27060560
  O     16.24670613      7.56514002    -13.01220260
  H     13.92131930     11.29874259    -12.54313281
  H     18.87826594     11.18604182    -16.24153398
  O     10.92051902     12.10439544    -13.37959157
  H     17.71564560     11.92958175    -14.04322921
  H     17.65253388     10.40308571    -15.70948674
  O     13.40592069     15.40479830    -15.30243344
  H     16.72703253     12.84788792    -13.29383040
  H     13.95899729     11.50090460     -9.29726466
  O     15.64295531     12.70427053    -16.25821461
  H     16.52840756      6.67149800    -12.82951006
  H     13.35777947     12.70364773     -8.52935607
  O     13.33583494      7.94377228     -9.87761595
  H     15.27993338      7.57181055    -12.92511520
  H     16.66583764      8.39281790    -14.68787370
  O     13.22744383     12.85264207    -12.01860604
  H     11.19722198     11.57224604    -14.14128678
  H     15.85407769      9.26284731    -15.66073757
  O     14.32556596     10.32318149    -15.60675343
  H     10.39136028     11.52051832    -12.82243542
  H     15.76765468     10.14991391    -10.03679901
  O     11.40653879     10.04488797     -9.80172146
  H     13.50342590     15.09265935    -16.21010265
  H     14.57319481      9.35347440     -9.46220523
  O     11.25289493     12.86568466    -17.06949640
  H     12.50044329     15.18375756    -15.05130555
  H     11.36531886     11.26673582    -16.21797251
  O     15.13887990     13.87848120    -13.79318430
  H     16.52084552     12.30453278    -16.23240824
  H     12.52159930     10.39063250    -15.67976756
  O     18.03297032     11.29379905    -15.81460382
  H     15.48238560     13.09921163    -15.38690130
  H     14.49269056     13.51896518    -17.34350385
  O     13.24507440     12.16519282     -9.30794362
  H     13.25618127      7.06354196     -9.51911247
  H     14.13566473     14.28943593    -18.63425600
  O     16.74545387      8.92911164    -15.48413339
  H     13.37368956      7.85341829    -10.84440934
  H     11.14825689      9.04998373    -14.50041125
  O     15.06754526     10.17690037     -9.37037589
  H     12.36445570     12.66157432    -12.41212637
  H     10.51127109      8.91692576    -13.11033302
  O     11.57287627     10.55824687    -15.59138621
  H     13.17163812     12.71758872    -11.06400258
  H     17.15006432     10.76905487    -12.10137205
  O     13.78177904     14.00354801    -17.79585868
  H     14.35879266     10.39209975    -14.63960702
  H     16.85171199      9.21999488    -12.06924099
  O     11.04979422      8.44289736    -13.75466295
  H     14.70123947     11.14575105    -15.94661713
  H     10.72722778     13.69628321    -14.20204671
  O     16.78787488     10.04137617    -11.56950002
  H     12.00512815      9.28918042     -9.76227710
  H      9.95025156     14.99475045    -14.50907584
  O     10.72896043     14.49839484    -14.74921473
  H     11.93794762     10.81667629     -9.57236679
  H     13.75828152      8.87965526    -12.65830473
  O     13.49561026      7.94524340    -12.61795568
  H     12.08475424     13.21008094    -17.41775453
  H     12.63142016      7.91422835    -13.05241902
          69
 Energy    -248.21732749470141     
  O     -5.74965447      3.43928798     -2.19923538
  H     -6.49510318      3.93201937     -2.53011275
  H     -0.00022574      2.57268881      1.58065702
  O     -1.30691079      2.28677729     -3.98009545
  H     -5.90372938      3.29533481     -1.24676352
  H      0.40917998      3.06186420     -0.64603709
  O     -6.03678980      2.83504420      0.41601822
  H     -1.89224303      2.82116808     -3.41675763
  H      1.23243500      3.94644905      0.32523818
  O     -2.26908342     -1.17348167      2.26091165
  H     -1.29186525      2.70733306     -4.83665175
  H      3.23868660      0.51481882      0.50644705
  O     -0.66160924     -0.30593592     -0.98414824
  H     -5.41695233      3.25221245      1.02770474
  H      3.98249834     -0.60812061      1.26795472
  O     -3.08504479     -0.05276955     -3.77796978
  H     -6.03565516      1.88867968      0.59935950
  H      1.70027494      2.26519024      2.91404545
  O     -3.80451084     -1.88760122      0.09090309
  H     -1.31139417     -1.11242846      2.16269508
  H      2.93485987      1.46398097      2.46784222
  O     -2.29644821     -2.24147632     -2.11842501
  H     -2.57707895     -0.27079414      2.41647963
  H     -4.47664594      0.39768434     -2.79136970
  O      0.67758160      1.84610089     -2.01805962
  H     -1.40557943      0.28382629     -0.78309838
  H     -5.37230816      1.58684359     -2.31553755
  O      0.44416713     -0.57008411      1.53165944
  H     -1.04819953     -1.07977403     -1.41022419
  H     -3.33639523      2.44080922      2.35791471
  O      3.21081072      1.70610607     -0.78032398
  H     -2.72262507     -0.81915653     -3.31437070
  H     -1.91901614      1.81735456      2.43166374
  O     -0.12886376      2.01776705      2.36320408
  H     -2.38106353      0.60023624     -3.85382801
  H     -6.94681316     -0.49714759      0.27505208
  O      0.33851836      3.64124789      0.12477348
  H     -3.24806627     -1.73393795      0.87033067
  H     -5.85541375      0.10173829     -0.64366007
  O      3.20622601     -0.05526217      1.29550456
  H     -4.60717999     -1.37951828      0.23955909
  H     -3.60342079      0.99558783     -0.88484698
  O      2.66225666      2.31398289      2.83601717
  H     -2.88292186     -2.15161366     -1.34361165
  H     -2.90351839      1.41579638      0.45721176
  O     -5.11263269      0.67942830     -2.11708565
  H     -2.26034098     -3.17014954     -2.32903151
  H     -2.48006208      4.63316082     -0.67427189
  O     -2.85427585      1.60937376      2.28119341
  H      0.13921352      2.06028035     -2.78841058
  H     -1.28096096      4.53194693      0.27063894
  O     -6.08677784     -0.08233105      0.28482485
  H      0.31092351      1.01895282     -1.67025228
  H     -3.90106416      3.63890728     -2.29176249
  O     -2.79877837      1.36499306     -0.50228612
  H      0.11395142     -0.55442779      0.62065925
  H     -2.81720718      2.83184656     -1.53443604
  O     -2.19237693      4.85014912      0.22088881
  H      1.40723005     -0.53460731      1.48327966
  H     -4.21714126      4.81529667      2.65550295
  O     -2.94667405      3.55139873     -2.17487772
  H      2.42218225      1.73815322     -1.33787334
  H     -3.40144722      4.42199622      1.39998636
  O     -4.08510534      4.11462404      2.02258541
  H      3.27225152      2.57241534     -0.35906462
  H      3.60275374      4.81899144      1.03704160
  O      3.03175492      4.09027447      0.81116315
  H      0.07250892      1.10528617      2.10458018
  H      2.96930005      3.52339787      1.60123390
          69
 Energy    -248.21708309158458     
  O     10.40470911      6.70731034    -10.77642629
  H     10.40611559      5.79918109    -11.10007935
  H     15.99540450      6.11826066    -10.95476271
  O     15.78008888      6.45814479     -8.05987427
  H     10.52780113      7.25389816    -11.56257080
  H     15.06072920      3.92043540    -13.92781335
  O     16.17136028      6.78526332    -14.72540081
  H     16.25692188      6.33387108     -8.89685969
  H     14.43245328      5.07602889    -13.11895426
  O     16.51553275      2.84087623    -13.29896399
  H     16.44217315      6.54409825     -7.37816654
  H     13.76590606      5.18358273    -11.06233226
  O     16.66014239      9.11209925    -10.65405695
  H     15.89639763      7.15283430    -15.57513018
  H     13.90451750      6.67066269    -11.56200991
  O     11.40640435      9.54058690    -15.39377567
  H     15.55332846      6.06346322    -14.54327930
  H     10.93141287      7.80777600     -7.88492283
  O     14.15456831      8.62650181     -9.02426951
  H     17.03990751      3.65296965    -13.17218244
  H     11.17049155      7.23439770     -9.29863990
  O     11.81780659      5.42554004    -14.26909279
  H     17.02949420      2.26551378    -13.85913139
  H     15.10874036      7.80092471    -17.96295935
  O     15.14755197      2.26529323    -10.90317098
  H     16.38551423      9.28070656    -11.56736602
  H     14.02977756      7.49727612    -16.89673815
  O     14.23097890     10.12158062    -15.41876818
  H     15.89204053      9.28761840    -10.10222831
  H     14.19645012      8.71561344    -12.24410729
  O     17.79063883      5.20616973    -12.99368913
  H     11.26676966      9.05685661    -14.56165067
  H     13.68191650      8.59987267    -10.76891826
  O     16.85957286      6.36480092    -10.58906246
  H     10.63947756     10.09232500    -15.52320208
  H     15.16295678      9.63464986    -13.95206919
  O     14.46881251      4.67640957    -14.00474412
  H     14.73240070      7.94492416     -8.65789702
  H     15.88927036      8.29795188    -13.68297622
  O     14.32782552      5.80267361    -11.54410700
  H     13.25918082      8.36985230     -8.76254873
  H     11.95079158      7.93296241    -16.26814873
  O     11.61595765      7.50563513     -8.47657743
  H     11.36306105      4.91846068    -13.58519506
  H     12.08934523      6.44541945    -15.88360532
  O     14.93680000      7.82832784    -17.02552771
  H     12.73350764      5.10971763    -14.27094936
  H     14.12069049      5.52932028     -8.01529683
  O     13.45547348      8.42586434    -11.69171096
  H     15.79935115      1.93094731    -10.29053172
  H     12.63884399      5.93630654     -8.13715646
  O     15.60005326      9.11743818    -13.25967119
  H     15.62401776      2.43256003    -11.72924281
  H     11.43966352      7.09041471    -13.57777596
  O     12.36081672      7.10069449    -16.53736684
  H     13.26926468     10.04758029    -15.40143716
  H     12.01766526      8.19542692    -12.64380226
  O     13.22799484      5.17230667     -8.10063324
  H     14.52919149      9.45676267    -16.05228083
  H     11.48118639      3.90704047    -11.40737810
  O     11.24567073      7.95155948    -13.18017310
  H     17.65512038      5.60562077    -12.12445918
  H     10.11857712      3.38733931    -11.92197171
  O     10.72380158      4.12239458    -11.98010449
  H     17.42887891      5.82973458    -13.63692734
  H     12.95325920      4.12135219     -9.48799817
  O     12.86863408      3.72671868    -10.36987090
  H     16.92139732      7.33201197    -10.63669500
  H     13.62416302      3.14137321    -10.52284932
          69
 Energy    -248.21708040652254     
  O     -8.26802530     -2.32637365      5.76118663
  H     -8.98564388     -1.72977111      6.00474784
  H     -3.13124078      2.04497285      3.17053342
  O     -9.86172315     -2.31145053      1.66357629
  H     -7.46181677     -1.97821476      6.16053572
  H     -7.17179487     -0.41636916      3.19382827
  O     -8.06319426     -3.67712026      3.42084516
  H     -9.31346592     -2.88013903      2.21640938
  H     -7.46228120      0.60673621      4.34252609
  O     -5.10785631      1.52390172      0.70479335
  H    -10.23554455     -1.65506376      2.26710781
  H     -5.21678738     -1.20957019      5.97872115
  O     -6.95945480      1.20972743      6.02869651
  H     -8.17348770     -3.21896259      4.27406230
  H     -5.29187772     -1.52436633      7.49375069
  O     -4.55974797      4.25978311      1.11475158
  H     -8.05052439     -4.61115187      3.61105526
  H     -9.83641408      4.86631427      4.26183794
  O     -9.96810255      1.72584138     -0.08847481
  H     -5.18432315      0.64826875      0.30819446
  H     -8.56726703      4.19735519      3.71124522
  O    -10.45634907     -0.53288672      6.31452816
  H     -6.02018263      1.76736858      0.92928735
  H    -10.93378605      1.33451210      2.80823969
  O     -4.33353428     -1.09827888      4.51708265
  H     -6.28972271      1.84592598      5.74033581
  H    -10.50435592      2.81688025      2.91916374
  O    -10.43841471     -0.28191867      3.51697159
  H     -6.51478320      0.43592062      6.39491376
  H     -6.77911677     -2.54738275      2.72480412
  O     -5.92112791     -1.06278907     -0.14628372
  H     -4.66411093      3.32503843      0.87557272
  H     -6.06990615     -1.67500176      1.62214809
  O     -3.68467022      1.25255893      3.13948857
  H     -4.34477700      4.72026625      0.30641826
  H     -9.05306427     -1.38915533      0.36080770
  O     -7.72545610      0.33100235      3.45593619
  H    -10.49221552      2.12353774     -0.77788066
  H     -9.10551163      0.00980830     -0.29167828
  O     -5.80992698     -1.22221754      6.75311371
  H    -10.43389308      1.89457315      0.75105107
  H     -9.61526750      2.69605471      5.50235287
  O     -9.45352541      4.01484777      4.05667479
  H    -10.19445544      0.40569150      6.31546034
  H     -8.62559418      1.79553236      6.25820697
  O    -10.98689805      2.19382967      2.36500566
  H    -11.12486273     -0.63160864      6.98695835
  H     -3.48703918      3.90236461      4.10505051
  O     -6.16835002     -1.81435038      2.57140792
  H     -3.96225960     -0.29590939      4.12864093
  H     -3.32530649      4.15854698      2.60326766
  O     -8.58644850     -0.79954131     -0.25129356
  H     -4.90002964     -1.47111159      3.82679119
  H     -4.79615818      2.29581278      4.22648222
  O     -9.56586743      2.02407772      6.18925182
  H     -9.48715604     -0.09572326      3.47987250
  H     -5.85107488      3.43258380      4.18923894
  O     -2.83520173      3.89890498      3.39454713
  H    -10.63258878     -0.45393424      4.44534332
  H     -8.42163652      2.03806112      0.83171414
  O     -5.25417847      2.94924986      4.77524005
  H     -6.88613960     -0.94326825     -0.23389834
  H     -7.75772141      1.46662440      2.13075462
  O     -7.66721977      2.12617790      1.42448488
  H     -5.64803067     -1.62147590     -0.86893616
  H     -7.24734502      3.52963454      2.33844950
  O     -6.89753565      4.27093550      2.86206073
  H     -4.13449592      1.25592720      2.28463322
  H     -6.14130120      4.58137267      2.35346078
          69
 Energy    -248.21673635209083     
  O     11.26816867      7.89436078     -9.65563078
  H     10.67876384      8.25534911     -8.99947758
  H     17.15471834      7.90250980    -16.74586944
  O     13.41783903      7.89880081    -15.38610028
  H     10.79290892      7.91593151    -10.50707590
  H     16.00502750     11.82414214    -13.94046004
  O     18.71886876      9.43930821    -11.65187908
  H     14.23939474      8.16174241    -14.93745015
  H     14.55838281     12.05096790    -13.47256832
  O     16.80791910     10.81023317    -15.44337326
  H     13.54159362      8.10822988    -16.31853158
  H     16.38686295      7.94871646    -14.41985963
  O     12.16273335      9.41120406    -13.44805312
  H     19.12935376      9.75282694    -10.84994829
  H     15.88283741      8.86207860    -13.23252500
  O     17.00162546      5.07754179    -11.82435473
  H     17.76096364      9.57043926    -11.54595283
  H     13.01793500      5.43078383    -10.66658102
  O     13.35572974      5.48501974    -14.05474099
  H     16.35317075     10.05531046    -15.03533566
  H     11.81208987      6.07448153     -9.96040252
  O     16.03008604      9.80759477    -11.60602603
  H     17.72080185     10.77253269    -15.12355297
  H     18.31786952      6.26291802    -12.48227943
  O     14.28303585     11.29087560    -16.61531047
  H     12.31333530     10.32803446    -13.70899271
  H     18.88129576      7.70208114    -12.42150585
  O     16.03253906      4.63262620    -14.54231067
  H     12.49473128      8.86394522    -14.17406162
  H     10.22810173      4.40323740    -12.85701858
  O     14.20890784      8.74615242    -17.94065894
  H     17.10433674      4.38614570    -11.17474032
  H     11.24772052      5.07619421    -11.90663183
  O     16.85732865      8.59593491    -17.35327943
  H     16.13900995      5.49281754    -11.65516846
  H     19.87334183      9.65759166    -14.64521450
  O     15.46757995     11.98414523    -13.15579347
  H     12.46029461      5.29252715    -13.75141524
  H     19.12288427     10.06327951    -13.37441099
  O     15.72395368      8.59831097    -14.14516440
  H     13.30824652      6.27747330    -14.60906056
  H     18.15138556      6.84757428    -14.57285092
  O     12.11286894      5.25651281    -10.37637985
  H     15.19610672      9.47402813    -11.25175023
  H     17.00654509      6.00170517    -15.19782453
  O     18.89462090      6.88958215    -12.94007885
  H     15.83581393     10.64541526    -12.05713960
  H     12.36391501     12.74184298    -14.55476188
  O     10.85313394      5.12116037    -12.79601079
  H     15.21084016     11.27970232    -16.34518933
  H     13.31629243     11.72972536    -15.23518272
  O     19.26054976     10.30578059    -14.30111058
  H     14.15342096     10.49415251    -17.14301525
  H     14.23888308      7.07258709    -11.42220379
  O     17.51253032      6.82167696    -15.30027944
  H     15.08230769      4.78113860    -14.45454440
  H     14.14494951      5.94351764    -12.48547286
  O     12.87658449     11.95363173    -14.39485562
  H     16.38618479      4.61715919    -13.64479968
  H     12.83969965      8.53585283    -10.46617910
  O     14.50710498      6.16505181    -11.61448048
  H     14.03108260      8.52249916    -18.85002099
  H     13.08915459      9.00608875    -11.92157409
  O     13.53456306      8.73789101    -11.10421495
  H     15.16635806      8.62733952    -17.80417449
  H     10.33695974      6.96819332    -12.50294673
  O     10.21048497      7.85779786    -12.15146775
  H     17.04106159      9.42846597    -16.90568649
  H     10.76853583      8.44541351    -12.67952367
          69
 Energy    -248.21668956397269     
  O     -0.73916832      2.69038494      2.37946094
  H     -0.89787548      3.21623895      3.17358165
  H      1.04938744      0.72426599      0.16667036
  O     -2.62985836      6.00174131      0.28250095
  H     -0.18289949      3.22660764      1.78806176
  H      0.62678857      4.20120285     -3.35954925
  O      3.83109318      6.76926903      0.70631123
  H     -1.80834815      6.11144865     -0.22222298
  H     -0.53608081      3.40176766     -2.68257874
  O      1.73259568      6.19254396      2.49321153
  H     -3.34992419      6.05980045     -0.35752553
  H     -4.22526920      2.17356521     -2.45487879
  O     -0.22432007      5.93821731     -1.02621246
  H      4.04823821      5.83445228      0.87681226
  H     -4.21762283      1.15296246     -3.61889286
  O      2.81287329      3.01460291     -0.95704596
  H      4.62516096      7.27061727      0.87228713
  H      2.48414075      1.68000343      2.71258658
  O      0.90776019      4.15404071      0.77599957
  H      0.83554677      6.55521794      2.42421008
  H      3.82432768      1.67237185      3.47061936
  O     -0.97940371      6.60147059      2.55783875
  H      2.33745771      6.65635105      1.90522815
  H     -3.97961601      5.42868587     -2.53915141
  O     -1.29824820      2.04866292     -1.67763530
  H     -0.33877180      5.42155138     -1.83611145
  H     -5.10111047      6.44274934     -2.21816913
  O     -0.94349395      4.43634068      4.52673403
  H      0.13458013      5.32611864     -0.36592435
  H     -2.08184397      4.56372235     -3.69795595
  O     -2.65869384      3.21270475      0.47176530
  H      2.75355600      3.43539908     -1.82229299
  H     -3.30055748      3.63235064     -3.72706553
  O      1.12282802      0.88932931     -0.77963727
  H      2.30364549      2.19029247     -0.98689214
  H      0.32869107      1.31036566      2.27543698
  O     -0.32214258      4.20002648     -3.18757330
  H      1.31548456      4.78778587      1.38269573
  H      0.71373426     -0.17381695      2.48013958
  O     -3.68672388      1.81363039     -3.18305567
  H      1.59699563      3.77477862      0.21605164
  H      3.06026484      4.60900118     -4.08938793
  O      3.17121415      2.25298854      3.08422021
  H     -1.64842907      6.46778537      1.87574855
  H      2.52213227      5.32360731     -2.82335243
  O     -4.52204390      5.79855831     -1.81936140
  H     -1.12960821      5.92549179      3.22940633
  H      1.86852031      5.06179212      3.88635708
  O     -3.04673336      4.56322926     -3.74991178
  H     -2.02337376      1.80003183     -2.26466818
  H      2.25291213      3.58988632      4.12692394
  O      1.03463256      0.65541205      2.13346979
  H     -1.71428931      2.47640112     -0.91538429
  H      3.91328878      3.67949793      0.31768638
  O      2.48981912      4.49363801     -3.33449177
  H      0.02580915      4.39518265      4.62548212
  H      3.95218818      3.56296258      1.84651149
  O      1.75899167      4.32439510      4.50701797
  H     -1.30841838      4.50649725      5.40442572
  H     -4.25398666      2.97443204     -0.43621915
  O      4.25808558      4.10930006      1.11494200
  H     -2.64193103      4.18032837      0.46175978
  H     -5.01068341      3.97705438     -1.31444417
  O     -4.94894437      3.03644307     -1.10768584
  H     -2.12612404      2.92914806      1.22449993
  H      2.91965614      6.77259671     -0.94140062
  O      2.39966108      6.68024890     -1.74880392
  H      0.25563565      1.19113786     -1.08387577
  H      1.47350514      6.64213235     -1.47437872
          69
 Energy    -248.21665040019010     
  O     12.40993943     11.23647171    -17.33318387
  H     13.08887326     10.99659338    -17.97512936
  H     18.72535036     10.91858492    -14.55773630
  O     17.75306513      6.19321480    -14.21977858
  H     12.87490950     11.65841797    -16.59876454
  H     15.27235892     11.26825711    -16.16147181
  O     18.92573464      9.79536880    -11.43889032
  H     17.55966938      6.96964412    -14.75674165
  H     15.58341485     10.68671919    -17.57084743
  O     18.00191348     12.36997237    -15.50094210
  H     17.93154428      6.52008909    -13.32332371
  H     14.35352867      9.59814874    -13.29097235
  O     15.39276759      5.02890484    -13.67364864
  H     19.79710005      9.94979903    -11.08414921
  H     15.08389042      8.37553414    -12.65959271
  O     14.53882148      9.38761840     -9.90449958
  H     18.99029354      9.89953228    -12.40575222
  H     11.41919240      9.81904515    -17.06333949
  O     14.86345574      6.91050166    -11.60419312
  H     17.33682488     11.90708752    -16.03755918
  H     10.09854084      9.05737600    -17.33049436
  O     12.67673293     10.29723423    -13.42543945
  H     18.38663169     13.04113616    -16.05934881
  H     18.16474999      8.05006186    -11.45583755
  O     13.36358027      7.80689117    -18.06263219
  H     15.42153323      4.07710183    -13.62801762
  H     16.90227294      7.15383289    -11.36218273
  O     16.69170066      8.60893915    -15.36596216
  H     16.29309521      5.33267198    -13.89368841
  H     11.97510467      7.35618379    -12.77306386
  O     14.43689143      6.84449061    -15.62157888
  H     14.77366346      8.51035265    -10.22171934
  H     11.93143874      8.08682360    -11.41295732
  O     18.88607011     10.06586539    -14.13394410
  H     15.19311967      9.99715291    -10.27381378
  H     16.78271321     12.82251912    -14.03120132
  O     15.98448747     10.93256871    -16.72814292
  H     13.89323503      6.96270569    -11.59036163
  H     16.15694947     12.38931870    -12.68637906
  O     15.21488782      9.17340784    -13.18893743
  H     15.07505625      6.19386775    -12.21712163
  H     17.28677946     10.66642592    -11.28651740
  O     10.97483252      8.95726710    -16.96859329
  H     12.35767754      9.48605085    -13.84682760
  H     16.01067451     10.36178517    -12.09756585
  O     17.82353119      7.16581867    -11.63827777
  H     12.37074908     10.29011409    -12.50989722
  H     14.62724506     10.07414157    -19.89047338
  O     12.16841660      7.25061754    -11.83224020
  H     13.74739285      7.32990177    -17.31607437
  H     14.15797485      9.23284991    -18.67927002
  O     15.99967627     12.91995828    -13.47713300
  H     12.48059830      8.07490720    -17.77867523
  H     11.46880661     10.32110511    -10.06428415
  O     16.37092149     10.94612291    -11.41214203
  H     16.51933184      9.34564786    -15.96648847
  H     12.88723853      9.77699946    -10.35944780
  O     14.52062222     10.09761488    -18.94348822
  H     16.21673628      8.82140422    -14.54328770
  H     13.44048355     11.47033971    -14.53468188
  O     11.99881280      9.90345939    -10.73746947
  H     15.20081395      7.43495693    -15.61928724
  H     14.62229401     12.46550137    -14.54685319
  O     13.99167479     12.00713024    -15.12184256
  H     14.66111592      6.11456437    -15.03087578
  H     12.85951786      7.51854184    -14.93305994
  O     12.02632791      7.88738068    -14.60782448
  H     18.29331847      9.44975224    -14.57736132
  H     11.53599197      8.18712187    -15.38429547
          69
 Energy    -248.21662008111286     
  O     10.59008834     10.20967373     -8.77666525
  H     10.70919194     10.84257553     -9.50274034
  H     13.58827511     12.09555060    -13.95111917
  O     13.71777994      8.77641570    -16.70765320
  H      9.71505269     10.35941797     -8.42546207
  H     18.66396905      9.30355747    -10.72140732
  O     11.24396702      7.90597348    -10.48507754
  H     13.33255337      9.67087124    -16.71269485
  H     17.40314170      9.82097010     -9.99020718
  O     14.42788829      8.42855288    -14.01277119
  H     14.12068762      8.64615566    -17.56189996
  H     15.56260968      7.83939886    -12.62911656
  O     12.45811597     11.19669455    -16.63414092
  H     12.16309789      7.71889456    -10.24078072
  H     16.60561321      8.35920212    -11.59854958
  O     11.79996399      8.47674284    -13.11542615
  H     10.94837851      8.59029636     -9.87617594
  H     12.23942819     14.88696826    -11.48373595
  O     14.76398755      8.25539569     -7.30151212
  H     14.31268267      8.45109119    -14.97084670
  H     12.13243007     13.35080610    -11.39576994
  O     13.64842777     10.47087117    -10.77310196
  H     13.53703137      8.37420252    -13.63198418
  H     14.69967756      7.61655235    -10.54931867
  O     13.01058841     10.31745820     -7.21209042
  H     11.51765325     10.98971849    -16.56485594
  H     14.28498702      7.84411512     -9.05321009
  O     15.36174642     13.84238699    -10.69989721
  H     12.64149962     11.84086980    -15.93874929
  H     17.43807654     11.24279172    -11.71913291
  O     11.27188562     11.77517691    -10.95865524
  H     11.44674414      9.36725021    -13.23581585
  H     17.94085510     12.44045872    -12.55789188
  O     12.86331179     12.67291785    -14.24145016
  H     11.54761842      8.19535429    -12.22462795
  H     11.43054597     11.61921965    -13.83898773
  O     17.81867616      9.72118865    -10.86707351
  H     14.74718580      7.73168952     -6.50556015
  H     10.21449927     10.82283968    -14.36772951
  O     15.98639387      7.64438303    -11.78235729
  H     14.10272551      8.96303751     -7.18904014
  H     14.30006338     11.43503714     -9.42244145
  O     12.65053454     14.07685294    -11.77792093
  H     14.07551154     10.61808642    -11.62589456
  H     14.95245778     12.80228682     -9.21073667
  O     13.95680067      7.81264361     -9.95951399
  H     13.73607531      9.53922893    -10.53350330
  H     15.67920885     11.32518308    -13.02678856
  O     17.15174051     12.02687606    -12.21595257
  H     12.17691887     10.27757268     -7.69526023
  H     14.81072038     10.12110582    -13.58243525
  O     10.69687394     11.04973660    -13.56362833
  H     13.51448068     11.05388571     -7.58567257
  H     10.18234286      9.34522609    -16.03276898
  O     14.65856229     12.01669792     -8.73284318
  H     14.51902965     13.92181629    -11.16277803
  H      8.98764019     10.15209450    -16.59761637
  O     14.78900373     11.03125891    -13.25499725
  H     15.92869884     13.28791189    -11.24733122
  H     16.05943308     10.82531218     -8.48254676
  O      9.79453764     10.23700077    -16.09790022
  H     12.10307369     11.27630077    -10.87707901
  H     16.13385578      9.35892172     -8.02594937
  O     16.63106827     10.04519452     -8.48602400
  H     10.87958959     11.51872033    -11.80508428
  H     11.99469268      8.01870655    -16.18054596
  O     11.12883296      7.89719158    -15.77308432
  H     12.77783686     13.34231767    -13.55326741
  H     11.28990715      7.89853457    -14.81845174
          69
 Energy    -248.21661502182926     
  O     11.72243133      8.21639601    -15.99402874
  H     11.91377196      7.56534897    -15.29465405
  H     18.66777032     12.87368729    -13.35871010
  O     17.77775260      9.07783336    -13.81164999
  H     10.96417296      7.89317265    -16.47294161
  H     14.42502075     12.59924202    -15.93655016
  O     15.42473150     11.36163850    -10.92995507
  H     18.05143391      9.50041952    -12.98587383
  H     13.53998145     13.02643273    -17.12909686
  O     15.55807967     12.79017749    -14.60176948
  H     16.88801527      9.42674908    -13.99279683
  H     14.98343356      9.46334761    -15.02978916
  O     15.13586961      5.85087774    -15.24282687
  H     15.56421843     12.27837040    -11.19640186
  H     14.63112665     10.09191730    -13.64766404
  O     14.24121367      7.34999572     -9.16098319
  H     14.63720526     11.04739729    -11.39698695
  H     12.80177177      6.80571827    -13.26846938
  O     16.27650339      6.88097041    -12.89374083
  H     15.62142924     13.21328555    -13.73714488
  H     13.34022925      6.03274703    -14.48050502
  O     13.34350895     10.31177050    -12.40627139
  H     15.55215776     11.83134755    -14.45670900
  H     18.94679194      8.34493472     -8.61518933
  O     18.35151943     12.70860599    -15.16328156
  H     14.98406907      6.69354719    -15.70682329
  H     17.81493390      7.83593392     -9.54091550
  O     16.82096165      6.53462203    -10.15150883
  H     15.40966832      5.21752713    -15.90102749
  H     17.02056006     13.62760699    -12.12557579
  O     18.26163816     10.09538920    -16.34934293
  H     13.74568517      7.09171161     -8.38893038
  H     16.04372375     14.75378622    -11.69879704
  O     18.58660213     12.96439928    -12.39752795
  H     14.66639764      8.20179660     -8.95232125
  H     17.11559169     10.66934459    -11.26245900
  O     13.84773642     12.26406961    -16.64433863
  H     16.88295975      7.56612330    -13.20438918
  H     18.24142295      9.81168077    -10.63444136
  O     15.31622451     10.03355187    -14.32617953
  H     15.96594509      6.40710731    -13.67550455
  H     15.48976146     10.33067603     -9.38460464
  O     12.53937496      6.43287910    -14.12132339
  H     12.76816316     10.50346922    -13.16236723
  H     16.53840055      9.40293260     -8.73546080
  O     18.25426986      8.63649915     -9.20155736
  H     13.31448342      9.36365135    -12.21277207
  H     15.14581054     11.02268724    -17.40924272
  O     16.07765541     13.86432277    -12.03897333
  H     18.43895626     11.87322191    -15.63559418
  H     16.54784913     10.35275752    -17.27782181
  O     18.02867986     10.37302311    -11.38983944
  H     17.39996159     12.86177153    -15.09713156
  H     13.78608944      7.48699958    -10.93597676
  O     15.60488502      9.64615167     -8.71156000
  H     15.93961823      6.64089366     -9.77313225
  H     14.62700781      7.43409751    -12.23582331
  O     15.68593642     10.27994547    -17.70665937
  H     16.70050744      6.53169607    -11.11062115
  H     12.62397619     11.26828929    -15.45530120
  O     13.74235964      7.62188309    -11.89124334
  H     18.99651681      9.68329907    -16.79841141
  H     11.86948152      9.93827734    -15.24385601
  O     12.10163506     10.77155606    -14.81502843
  H     18.19946979      9.67270303    -15.47725455
  H     13.54460872      8.30755059    -16.41076783
  O     14.50737372      8.24271030    -16.38023761
  H     18.59206509     12.07151582    -12.03040214
  H     14.88879663      8.88405276    -16.99875679
          69
 Energy    -248.21652225490334     
  O     14.12091130      9.66118000    -16.55415007
  H     14.24811320      9.13716842    -17.34958179
  H     20.90810487      4.46148256    -16.43002264
  O     13.49550922      3.49886006    -15.97232642
  H     13.52113829      9.15724637    -15.98101498
  H     17.07361996      7.52926839    -16.39157623
  O     18.03942360      6.26545777    -11.99809779
  H     12.63282595      3.16696392    -16.20848722
  H     17.19582763      9.06080855    -16.30428435
  O     18.85304264      6.23971187    -18.01202601
  H     13.53303151      4.42556286    -16.27134354
  H     16.86455499      5.39136408    -15.31259839
  O     16.49508332      5.21663306    -19.29944027
  H     18.86414087      6.32063471    -12.49956019
  H     16.41423352      6.70060947    -14.54983729
  O     14.03186414      6.36968265     -9.80467176
  H     17.45540137      6.95499875    -12.34703457
  H     12.96032254      7.23963712    -15.50978542
  O     14.27187344      4.22337520    -13.33565182
  H     18.51772353      7.09223951    -17.70184926
  H     12.92327279      7.69351845    -14.04378101
  O     16.27096652      7.95721334    -13.21916241
  H     18.12726319      5.84627331    -18.51119386
  H     16.33628356      2.02743170     -9.60492447
  O     17.71168371      3.74575540    -15.31946931
  H     16.51141037      4.78929412    -20.15230513
  H     15.33365515      3.01332071    -10.25388435
  O     13.73560268      3.63315470    -10.63117884
  H     16.26931371      4.52715930    -18.65026333
  H     14.76198569      6.08650981    -16.10551120
  O     15.96504405      3.29485780    -17.44169550
  H     13.75881257      6.82441456     -9.01253458
  H     14.14550103      6.60349111    -17.40147557
  O     20.16259007      4.92121288    -16.05271265
  H     14.98184511      6.17790843     -9.70612418
  H     20.77306327      7.21719606    -13.85572858
  O     17.38968336      8.31028058    -16.87557016
  H     14.01984650      3.87750856    -14.19925818
  H     20.23283830      5.93829199    -14.50581089
  O     16.37681922      6.21947924    -15.38660088
  H     15.21666374      4.05958336    -13.21105335
  H     17.36691605      4.65299809    -12.43419839
  O     12.66724043      7.95990854    -14.93475872
  H     15.36596622      7.71377847    -12.97481949
  H     16.84198590      3.31698931    -11.84786275
  O     16.28064622      2.81544393    -10.13789688
  H     16.24481915      8.76478436    -13.74649539
  H     17.23479332      5.92552640    -10.34372095
  O     13.93555553      6.08578375    -16.61537682
  H     18.62070958      4.02854835    -15.47630749
  H     16.64640522      4.66929679     -9.67050392
  O     20.22338041      6.45453819    -13.68731881
  H     17.58321937      3.60591395    -14.37071433
  H     15.55531934      6.86069268    -18.96130517
  O     16.99096893      3.79260726    -12.67385093
  H     13.75128587      3.74183551    -11.59214957
  H     15.94088073      8.02841030    -18.05690816
  O     16.64632983      5.63347837     -9.63460964
  H     13.66973032      4.52628203    -10.27076137
  H     13.92776967      5.96882641    -12.89055646
  O     15.19462892      7.65688490    -18.54869523
  H     16.62128849      3.33405221    -16.73164537
  H     13.79413737      6.81050421    -11.59954121
  O     13.82136679      6.87375113    -12.56244503
  H     15.11212338      3.21493898    -17.00072006
  H     15.47233963     10.03265940    -15.54951118
  O     16.27266296     10.14898349    -15.00443106
  H     19.72690066      5.39901900    -16.78205657
  H     16.36654252     11.08530881    -14.85257038
          69
 Energy    -248.21641011345764     
  O     11.48950935      9.54797341    -14.28919094
  H     12.07814962      9.66249212    -15.04376651
  H     16.80886605      7.52337654    -16.25784693
  O     17.09399588      7.81811928    -14.45093982
  H     11.54809606     10.36958103    -13.78639020
  H     18.42250353     10.62515368    -12.76866203
  O     16.08974499     11.23071361    -10.19366865
  H     16.64188742      7.22611690    -13.83235632
  H     18.74996786     10.20321395    -14.20305096
  O     16.41212262     12.36932405    -14.34131862
  H     17.72747880      8.35427989    -13.95902519
  H     15.87829244      9.13514428    -14.20341492
  O     13.68331150      7.29912735    -17.10407980
  H     16.43023303     10.49269990     -9.67253736
  H     15.69592697     10.68485245    -14.11455820
  O     15.58317285      6.90077762     -9.24000256
  H     15.27764922     10.92433169    -10.61908528
  H     11.48145659      8.02463289    -13.44332396
  O     15.56080845      6.23706161    -12.78822360
  H     17.11577506     12.10639568    -14.94945341
  H     10.62707697      6.86449383    -12.87884076
  O     13.91472209     10.29012344    -11.66723400
  H     16.83525386     12.47455082    -13.47862263
  H     18.25247559      8.48104903    -10.36422292
  O     18.44391358     11.14710819    -15.85762369
  H     13.60838814      6.81846886    -16.25970153
  H     18.79289394      8.63765291    -11.81049708
  O     17.49720043      5.55598880    -10.91361615
  H     13.20891396      6.78887786    -17.75504830
  H     12.77576454      6.35565213    -14.14891174
  O     16.38783163     10.25539324    -17.34655718
  H     14.82605823      7.07223804     -9.81620817
  H     14.27012336      5.98018137    -14.13380531
  O     16.55295042      7.52798200    -17.19158423
  H     16.16205283      6.29546205     -9.71991099
  H     17.20079625     11.90400972    -11.27780349
  O     18.69281374      9.86429144    -13.29985897
  H     16.20498205      5.84096831    -12.18821564
  H     18.39648230     12.86043911    -11.51252939
  O     15.24395586      9.83649425    -14.01033750
  H     14.94198452      6.74066056    -12.24040577
  H     16.58157870      8.28921766     -8.92532515
  O     11.52539730      7.16549280    -12.98645020
  H     13.21568821     10.90262799    -11.92326634
  H     17.52700819      9.03417537     -7.95539853
  O     18.66189305      8.00339565    -11.09733169
  H     14.38640288     10.07001672    -12.48684548
  H     13.56714236     11.84207606    -15.63561755
  O     13.50357438      6.06893303    -14.71402174
  H     17.73772505     10.80510638    -16.43643819
  H     14.60093371     12.67470046    -14.84418459
  O     17.83823171     12.21990671    -11.94424281
  H     19.13139040     11.47150936    -16.43321603
  H     13.73736933      8.54185717    -11.25329306
  O     17.20728840      9.03206450     -8.85392333
  H     17.98503475      6.39357337    -11.01621763
  H     12.87696305      7.34277324    -11.69840013
  O     13.65711918     12.59309812    -15.03623878
  H     18.14688076      4.86959719    -10.79133303
  H     11.48420725     12.72466797    -12.68919238
  O     13.67203380      7.57727938    -11.20407695
  H     15.45560659     10.36491921    -17.14504742
  H     12.61235421     12.29309963    -13.65566245
  O     12.04737316     11.99157260    -12.92174940
  H     16.52199374      9.29644831    -17.41757306
  H     13.58855967      9.08517119    -16.63757127
  O     13.61636134      9.95619136    -16.21855346
  H     15.61028372      7.32359054    -17.21224539
  H     14.15824325      9.85701559    -15.41778505
          69
 Energy    -248.21638463249514     
  O      3.63753522      1.40080181      6.33855595
  H      4.24639346      1.69577225      5.63846409
  H      2.69321912      3.12711358      6.31105594
  O      1.53146836      4.12377452     -0.25622144
  H      4.17768097      1.16960400      7.08985187
  H      2.27022205      0.17893101      2.04096454
  O     -1.29370132      3.89866231     -0.17288378
  H      0.56650639      4.14552843     -0.25780158
  H      2.48549455      0.10313246      3.57290229
  O      0.42287130     -2.03591334      3.63115339
  H      1.78464164      3.39944915     -0.84407775
  H      2.40216907      3.94628779      1.25526231
  O     -1.40033646     -2.40104517      1.63851084
  H     -1.97320576      4.53191321     -0.38733721
  H      3.51505072      3.02894733      1.85844975
  O      4.46933655      0.22445478     -0.85848979
  H     -1.47950341      3.09787295     -0.69767017
  H      3.21506078     -2.45955505      0.72319908
  O      0.38149157     -1.59668925     -0.37096906
  H      1.26522145     -2.40617326      3.34187740
  H      2.20150922     -2.02181169     -0.33766912
  O      0.87101798      2.90439420      3.89362500
  H      0.63598711     -1.26760396      4.17423526
  H      0.31004067      1.23113752      1.26333545
  O     -1.03562154      2.18471627      2.05138232
  H     -0.79633751     -2.25417566      2.38743077
  H      1.39960130      1.23205609      0.13757843
  O      5.24482440      2.41671781      4.37253521
  H     -1.97306178     -3.12118779      1.88887426
  H     -1.13874215      1.03705290     -1.93639796
  O      4.09253552      5.01250135      4.13759912
  H      4.03557800     -0.60760364     -0.59805831
  H     -2.10201476      0.98674417     -0.72378244
  O      2.24391369      3.94028978      6.05056778
  H      5.18120144     -0.01423799     -1.44726767
  H      4.15335825      1.00049022      2.11382773
  O      2.91851506     -0.05464516      2.72427564
  H      0.58709735     -0.77634213      0.10715056
  H      4.81897342      1.28357452      0.76349092
  O      2.86466861      3.70981930      2.07300274
  H     -0.26796445     -2.05041361      0.17808920
  H      2.98512264      1.22968491     -1.38946771
  O      3.14921391     -2.06168493     -0.15265906
  H      1.16493270      3.34038176      4.70552718
  H      1.57109630      1.13622617     -2.04378856
  O      1.05807276      0.74276416      0.89642157
  H      1.53215397      3.12116610      3.22123970
  H      3.76569446     -3.10631958      3.18117723
  O     -1.76555727      1.56118631     -1.42971279
  H     -1.15652948      2.89879044      1.41142061
  H      3.13263377     -1.78799940      2.67505844
  O      4.73003507      1.63457694      1.65534080
  H     -0.50560887      2.52461808      2.78534760
  H     -2.20583232     -0.72324989      1.12887375
  O      2.14874620      1.69799804     -1.51107046
  H      5.00311535      3.35209005      4.35085499
  H     -2.12801432      0.79178686      1.41531951
  O      3.07451816     -2.75909069      2.62222204
  H      5.27950589      2.13606688      3.45045189
  H      0.14677693     -0.58774276     -3.46417325
  O     -2.51734771      0.13479261      0.82152381
  H      3.62886483      4.65936305      3.35795847
  H      0.25782350     -0.73181281     -1.92803004
  O      0.27896780     -0.09208080     -2.66005628
  H      4.38814130      5.88926134      3.90738071
  H      1.07091637      1.20112350      4.60736238
  O      1.40361920      0.36672082      4.96964472
  H      2.88614606      4.43348162      5.52326253
  H      2.10797770      0.61032070      5.58551001
          69
 Energy    -248.21638182731238     
  O     -2.66457414      6.04408926     15.70507258
  H     -2.68473547      5.59903316     14.84820135
  H     -3.29934917      7.38254853     16.96774011
  O     -0.75894820      7.49011447     18.71339950
  H     -1.73166948      6.20116400     15.89373832
  H     -2.12608085      2.22927939     18.00039662
  O     -4.31910296      4.35712292     17.22839128
  H      0.03087941      7.73453175     19.20998561
  H     -0.78448636      1.96670637     18.77689147
  O      0.34508525      0.69785191     14.32022337
  H     -1.06292353      6.64354095     19.07537443
  H      1.22015704      2.35563661     14.30290196
  O     -1.98900600      2.01328307     14.58038663
  H     -3.75593009      4.93378085     16.69406644
  H      1.23484819      3.41627614     15.42137283
  O      0.71043202      0.93864178     19.17231761
  H     -4.46838727      4.82674986     18.05652377
  H      1.27720238      0.44896392     15.96627907
  O      2.76269114      6.83870055     17.63386336
  H     -0.52449553      1.12776669     14.41303301
  H      2.57219583      1.02612965     16.57861904
  O      1.73264208      7.73019104     19.98261521
  H      0.26506994      0.06183275     13.61470406
  H     -1.65219733      4.24051483     19.36263644
  O      3.78600748      2.29258501     16.03201065
  H     -2.14821854      2.87365039     14.17478977
  H     -2.63911130      5.33439950     19.85841533
  O      0.24926937      5.48625723     13.60841958
  H     -2.57529163      1.94050820     15.34242606
  H     -0.03943167      5.12724366     20.69094134
  O      0.13259859      6.48384977     16.29294930
  H      0.80824551      0.16417107     19.71887529
  H      1.20351852      6.04609301     20.72530411
  O     -3.39017263      7.84934161     17.80825803
  H      1.09566229      0.72293652     18.30145241
  H      1.76317365      3.96196965     19.95551206
  O     -1.40811541      2.64765567     18.49079568
  H      2.06717872      6.73459650     16.97737112
  H      1.77002032      2.49916884     19.39453498
  O      1.57660258      3.22267167     14.53454284
  H      3.30530033      6.04029427     17.60705869
  H     -4.31009558      1.21384830     17.03678168
  O      1.79785758      0.47940501     16.77708669
  H      2.17473755      7.44173799     19.16372388
  H     -3.92381029      2.71574146     17.03153774
  O     -1.70519315      5.09765560     19.80815443
  H      2.25326143      8.44276839     20.34265635
  H      3.59792006      4.00296142     18.50147853
  O      0.90069407      5.14925512     20.91356244
  H      4.05160604      3.02477459     16.59900389
  H      5.08539057      4.41403155     18.38529614
  O      2.19131462      3.36293391     19.32318886
  H      3.19908087      2.67849375     15.36788343
  H     -2.62135193      4.72126406     12.46175380
  O     -3.57484026      1.81018506     16.92751061
  H      0.30066692      6.03510727     14.39995363
  H     -1.36619972      4.90348017     13.35036505
  O      4.25286543      4.42657446     17.91850459
  H      0.80861711      4.71575743     13.78590203
  H     -4.11034160      6.73946533     18.96285138
  O     -2.28568873      4.57955465     13.34293774
  H     -0.14416484      6.96225175     17.08735232
  H     -5.05776155      6.34183878     20.12078127
  O     -4.37507970      6.00561689     19.54704038
  H      0.28124316      5.56232208     16.56321379
  H     -0.20941490      3.48124401     17.38274298
  O      0.59135258      3.91475893     17.06058371
  H     -2.48687632      7.95960930     18.13717400
  H      1.24171359      3.80766081     17.76564491
          69
 Energy    -248.21635989745687     
  O     21.04708132     11.27923438    -17.68983173
  H     21.33407468     12.20901728    -17.63620233
  H     17.84563052     11.25460294    -18.02238666
  O     17.71973070     18.31437679    -14.75175961
  H     21.78125689     10.78234940    -18.03980299
  H     19.60590421     16.89229988    -18.36630248
  O     22.02999496     15.42406743    -15.12768328
  H     17.57319644     19.23968296    -14.57392458
  H     20.13029785     18.13395398    -19.12783136
  O     14.46779910     14.40947867    -13.98440022
  H     17.39369637     18.14712832    -15.65611615
  H     14.84558809     12.74096913    -13.18500973
  O     16.98889246     11.07095406    -16.38779871
  H     22.81146636     15.74949946    -14.68879197
  H     15.80637557     12.02871154    -12.20171223
  O     17.40019997     12.04871135    -11.18232556
  H     21.44891465     16.19332263    -15.26712633
  H     19.55185813     17.76259365    -15.15544178
  O     15.86175494      9.68682893    -14.22808815
  H     13.65984082     14.90628888    -13.88481454
  H     20.25722437     17.75838364    -16.51610229
  O     21.66887429     13.89512920    -17.49569648
  H     15.20098593     15.03156119    -13.83204683
  H     17.57407811      9.88534822    -13.37080913
  O     19.30737916     15.18375858    -18.19824780
  H     16.57299984     10.48699154    -15.74217623
  H     18.93990824     10.51843587    -13.69113711
  O     16.63724231     16.00836478    -13.66155125
  H     16.45883186     11.88109439    -16.40816485
  H     16.39251638     14.96918757    -19.05237972
  O     20.07005608     13.71071387    -14.06664639
  H     17.50173106     11.70861995    -10.29707648
  H     15.62432326     14.81512882    -17.74413763
  O     18.39116578     11.52754938    -18.77235479
  H     17.82996296     11.40843564    -11.77708477
  H     16.56922893     17.02841194    -17.69135401
  O     19.69164362     17.86184975    -18.32650418
  H     15.22915427      8.98311757    -14.11477946
  H     17.83134211     17.92268149    -17.77645649
  O     15.09562433     11.87689715    -12.83808609
  H     15.51104516     10.46187809    -13.75150309
  H     17.97819795     13.76737576    -11.69094085
  O     20.38775219     17.54567919    -15.58329087
  H     21.93711820     14.38949839    -16.71284777
  H     19.01500632     14.29636342    -12.69373788
  O     18.37743203     10.23063943    -12.96101720
  H     20.88160053     14.34906713    -17.82852171
  H     20.16016132     11.17278263    -16.05997398
  O     15.88041570     15.46922145    -18.40666863
  H     18.83621521     15.09246738    -17.35611974
  H     18.67147460     11.27110765    -15.65820502
  O     17.00284088     17.79937629    -17.29890114
  H     18.77853420     14.74452038    -18.87587209
  H     18.79012427     14.33709531    -15.19778587
  O     18.31400117     14.57928990    -12.08930431
  H     17.23274099     15.58325435    -13.02155893
  H     17.58507299     15.29145394    -15.11633106
  O     19.57235891     11.28549145    -15.30327991
  H     16.98085750     16.88261794    -13.88149487
  H     17.88375285     12.96865691    -19.58399837
  O     18.09589726     14.74773773    -15.72932873
  H     20.83689086     14.19011020    -14.40319872
  H     17.60467033     13.67689236    -20.92846609
  O     17.67051733     13.82873025    -19.98978969
  H     20.03387393     12.83373357    -14.47344548
  H     15.16585072     13.75453366    -15.59837809
  O     15.71576779     13.51684390    -16.35463613
  H     19.30650308     11.40305385    -18.49588178
  H     16.59178904     13.90055727    -16.18585420
          69
 Energy    -248.21627612715150     
  O     15.20466211      9.26436300    -15.84654812
  H     14.98016353      9.97218081    -15.23170054
  H     16.04840484      5.21531491    -16.31689295
  O     15.57487607      4.73433896    -12.97970216
  H     15.89416307      8.74487315    -15.40503882
  H     16.82192684      5.15017811    -11.85009778
  O     17.54094074     13.36351718    -11.91453381
  H     15.91533261      4.73656627    -13.88557091
  H     17.70120790      4.66625979    -10.67516904
  O     19.70262151      8.23859855    -13.66290793
  H     14.71335966      5.16459341    -13.01647938
  H     19.30105907      9.37893329    -16.27146082
  O     14.86045339      5.61331415    -17.65891374
  H     17.70966333     14.22484906    -12.28842397
  H     20.18219467     10.64466523    -16.19989637
  O     16.14311547     10.33598782     -9.06426075
  H     17.69597826     12.71673837    -12.62201596
  H     17.88822973      7.80161477    -14.17744460
  O     15.03394340      8.37329031    -12.56993721
  H     19.82605925      8.89033091    -14.36253545
  H     16.85860690      6.78491678    -14.76260156
  O     17.86307514     11.22807052    -13.67352110
  H     19.51619071      8.72650777    -12.84734173
  H     16.04894607      8.14218803    -11.13771461
  O     19.57927520      5.52151505    -13.37730758
  H     14.32118911      5.13089851    -18.27893738
  H     17.06895332      7.10416844    -10.61313051
  O     13.23992765      6.39339675    -13.13841872
  H     14.25203716      6.09934577    -17.07147715
  H     13.27653339      6.80265213    -15.00658480
  O     19.34082750      5.19404606    -16.05854395
  H     15.77590349     10.16922494     -8.19901894
  H     13.90854273      7.90841762    -15.88771476
  O     16.61196791      5.13340537    -15.53688699
  H     16.34391751      9.46862245     -9.44984674
  H     18.27535816     12.42995814    -10.39326053
  O     17.55103737      5.40799948    -11.25695379
  H     14.90704145      9.29078653    -12.84347252
  H     17.75150108     11.37265390     -9.39908854
  O     19.51692661     10.15593087    -15.72248718
  H     15.72570224      8.01880554    -13.15326295
  H     18.85932845     10.35777864    -10.89707700
  O     16.95299800      7.65456708    -14.35186686
  H     18.13004493     10.64825082    -12.94456745
  H     18.08670049      9.03746964    -11.16967784
  O     16.73650832      7.99890144    -10.46856132
  H     18.36239953     10.94713163    -14.44952151
  H     15.34579112     11.52992326    -10.38035789
  O     13.41733395      7.07583749    -15.92000450
  H     18.93427322      5.43175960    -12.66848595
  H     15.84867430     12.67591440    -11.27581235
  O     18.55967748     11.74069491     -9.77940743
  H     19.78144551      6.46881390    -13.42689860
  H     19.15519605      7.01328256    -16.79642445
  O     18.73816725      9.64601002    -11.54076258
  H     12.44575284      6.42540098    -12.61078037
  H     18.11811758      7.91732858    -17.51526581
  O     15.07715981     12.12551694    -11.08972860
  H     13.79407032      7.14230042    -12.85874404
  H     14.87803295     11.41963577    -12.75360924
  O     18.99308543      7.91238709    -17.09785877
  H     20.00144383      4.59931006    -16.40346857
  H     16.02214399     11.05320768    -13.71706945
  O     15.06792182     10.95736003    -13.58286591
  H     19.48054667      5.24051284    -15.09516521
  H     15.94074080      8.59126446    -17.47989731
  O     16.41529222      8.00040867    -18.07918259
  H     17.52506776      5.02965829    -15.83472368
  H     15.91030431      7.17909202    -18.08719956
          69
 Energy    -248.21614625251181     
  O      0.82559185      0.96570593      5.32512902
  H      1.28418197      1.12013557      6.14733362
  H     -0.84785622      2.72701460      1.52184124
  O     -0.72144969     -1.23562900      5.60900681
  H      0.29968332      0.15434337      5.44705058
  H     -3.57801234      0.45574623      5.16390281
  O     -0.10328003      0.56569976     -0.89610356
  H     -0.63891892     -2.08760332      5.16704530
  H     -4.02346971     -0.93351750      4.58456913
  O      2.59214815     -2.67290256     -0.61985268
  H     -1.64364614     -0.96839916      5.48358632
  H     -2.46867902      2.23664976     -0.12243344
  O      3.43754536     -0.30290110      0.48047149
  H      0.16923017      1.00761883     -0.08106960
  H     -3.08606504      0.93388089     -0.65814422
  O     -4.52658310      2.54036203      2.73494653
  H     -0.97412577      0.93665835     -1.10097231
  H     -2.45019498     -0.15551323      3.26225724
  O     -3.05513092     -3.49378708      2.65350694
  H      3.34280032     -3.23126507     -0.80116142
  H     -1.23565649     -0.59265881      2.38734366
  O     -1.28789562      2.78955855      4.65972517
  H      2.94950276     -1.86517161     -0.21322233
  H     -0.12272114     -1.24129312     -0.73079824
  O      2.39201596      1.71356367     -1.28573997
  H      3.22963298      0.41590769     -0.12869948
  H      0.83726874     -2.46656323     -0.64392195
  O     -5.68597768      0.12851792      1.93286636
  H      3.08940588     -0.03920085      1.34120721
  H      1.37750624     -0.36197358      2.59152351
  O     -5.25342494     -1.91140230      3.61770367
  H     -4.39282401      2.52426365      3.69053299
  H      1.68397449      0.66768567      3.69784274
  O     -1.76621306      2.62564396      1.80818702
  H     -3.67098597      2.77388593      2.35833790
  H     -4.06950377      2.80663869      6.22813166
  O     -3.26826700     -0.41968917      4.89751546
  H     -3.82846370     -2.98259642      2.91980245
  H     -2.87988015      2.50252853      5.28263908
  O     -2.57901845      1.71502032     -0.92435637
  H     -2.97425444     -3.41641660      1.69542527
  H      1.53767560      2.44440962      0.38415916
  O     -2.02404194     -0.03616726      2.40413901
  H     -1.35016102      2.86351587      3.70025606
  H      1.29682027      1.72998022      1.74233417
  O     -0.08072327     -2.18418511     -0.51373612
  H     -0.54034244      2.21006687      4.84946010
  H     -1.58261515     -3.59604802      3.54695146
  O      1.91639719      0.41887718      2.79508131
  H      1.54087050      1.26080058     -1.40549644
  H     -0.50231480     -4.49599456      4.19648832
  O     -3.79867231      2.25702830      5.49817766
  H      2.60752400      2.11491432     -2.12379126
  H      0.01880067     -2.40205273      2.78597176
  O      0.89859724      2.33271945      1.09583400
  H     -5.13533987     -0.12474949      1.18013050
  H      0.16783886     -1.94665290      1.29217294
  O     -0.70489878     -3.59239059      3.97137010
  H     -5.38337556      1.00917705      2.19690161
  H     -2.77911351     -3.87966398     -0.83898528
  O      0.23477307     -1.65718331      2.21076155
  H     -5.47378761     -1.18074031      3.01044538
  H     -1.68304174     -2.91381623     -0.33516667
  O     -2.59179238     -3.22102295     -0.17469690
  H     -6.07978335     -2.29066030      3.90366371
  H     -3.08858274     -0.42868065      0.99145961
  O     -3.62664574     -0.61728572      0.20597327
  H     -1.87683847      1.68208268      2.01607262
  H     -3.40152878     -1.51560533     -0.05765363
          69
 Ord_Energy   -248.215805    
 O   -3.54084802      -2.21788955       4.10028791    
 H   -4.31745529      -1.69552398       4.34183598    
 H   -2.90518880      -1.58596885       3.74319291    
 O   -6.41630363       1.21419775       8.64947701    
 H   -5.76581860       1.31444287       9.35499477    
 H   -6.31211615       1.98141694       8.07223415    
 O  -0.821211755     -0.366198093       8.17115498    
 H  -0.547349513      -1.24711001       7.86912918    
 H   -1.60321271     -0.148807108       7.64429331    
 O   -5.13780308       5.93289232       6.02266169    
 H   -4.18000793       5.85946083       5.85976267    
 H   -5.29695415       6.81952715       6.33463669    
 O   -4.26347923       1.54703069       10.5276356    
 H   -4.30011368       1.80556202       11.4442396    
 H   -3.72747350      0.734258592       10.4850817    
 O   -2.88674760       4.81841946       2.63266063    
 H   -2.74114442       5.25721598       1.79935670    
 H   -3.84525537       4.84861183       2.80603242    
 O   -5.48826694       4.76449776       3.40923572    
 H   -5.52707005       5.25068569       4.24206448    
 H   -5.60231876       3.83297515       3.64495969    
 O   -2.51498532       5.60637903       5.37488508    
 H   -2.00696588       4.87601757       5.75203609    
 H   -2.50786304       5.46485138       4.42047501    
 O   -1.78443658     -0.196240827       3.10718918    
 H   -2.05069065      0.698681056       3.37250519    
 H   -1.58243883     -0.155487582       2.17480063    
 O   0.342548311     -0.846044183       4.90707588    
 H   0.526932955      -3.51471603E-02   5.39311266    
 H  -0.362296492     -0.630074143       4.28479004    
 O   -1.36095750       3.19752717       6.28734493    
 H   -1.97347116       3.03219867       7.01946020    
 H  -0.569502652       2.66900969       6.44733286    
 O   -2.78163862     -0.678608537       10.2020655    
 H   -3.30890703      -1.31893182       9.70405102    
 H   -1.96699822     -0.567188680       9.69559860    
 O  -0.309400320      -2.70769930       6.89368248    
 H   -4.68249097E-02  -2.18537927       6.11970758    
 H   -1.16860950      -3.09191465       6.68773031    
 O   -3.27990675      0.137502402       6.89259243    
 H   -3.60568738     -0.563988924       7.47701263    
 H   -3.38119769      0.981255889       7.35252285    
 O   -5.41161108     -0.470736504       5.23139715    
 H   -6.03472757     -0.782971919       5.89769316    
 H   -4.60872364     -0.220974401       5.71868277    
 O   -2.99768877      -3.66933131       6.32509708    
 H   -3.06350899      -4.59692860       6.11238813    
 H   -3.16332173      -3.18110466       5.49902248    
 O   -2.50461173       2.34371996       3.90019226    
 H   -2.09316397       2.58449793       4.74269629    
 H   -2.54120564       3.14643145       3.36399961    
 O   -3.32500625       2.65475225       8.14055061    
 H   -4.14240599       2.97289038       7.72962236    
 H   -3.54625225       2.38922930       9.04160023    
 O   -6.82974482      -1.22479534       7.55935431    
 H   -7.71544552      -1.52156174       7.74880791    
 H   -6.73157740     -0.347231984       7.97319794    
 O   -5.26408958       2.14211798       4.39634657    
 H   -4.31074858       2.17338967       4.23404026    
 H   -5.48470116       1.21342444       4.54605865    
 O   -5.68758059       3.32423162       6.88039541    
 H   -5.59512329       2.87806129       6.02591372    
 H   -5.62007380       4.27006102       6.69835997    
 O   0.733477533       1.39856052       6.78385258    
 H   0.264077872      0.789645374       7.38040066    
 H    1.61990201       1.48763061       7.12557936    
 O   -4.23866510      -2.10021520       8.29277992    
 H   -5.16938829      -1.97120237       8.07163143    
 H   -3.85644412      -2.72207856       7.65774822    
          69
 Energy    -248.21530549591512     
  O     14.09343357      2.82678247    -10.83811626
  H     14.05642668      1.89027029    -10.60811518
  H     17.72262019      5.54763825    -15.15865256
  O     12.04498620      3.29983600    -12.68119546
  H     13.39191456      2.97265323    -11.49033317
  H     14.75334646      9.60983167    -11.05070764
  O     16.62591971      2.85802951    -12.04276829
  H     11.53761728      4.00616165    -12.26438957
  H     13.49513059     10.41511774    -10.65968069
  O     18.71392019      6.28277382    -13.68497644
  H     12.61022107      3.72451305    -13.34603706
  H     15.36160553      6.88793116    -12.72092498
  O     12.20938223      7.72907288    -12.41329640
  H     17.14047499      3.59951450    -11.70492313
  H     14.50244128      6.13989271    -11.61879874
  O     12.72393190      0.61677175    -13.21146466
  H     15.75394308      2.91142517    -11.62349307
  H     12.57564058      5.48735219    -10.39064629
  O     14.05275914      0.01931458    -10.71865837
  H     18.43435788      5.91209129    -12.83154544
  H     13.76573498      4.51688785    -10.17177195
  O     16.53871196      8.11743100    -13.69481064
  H     19.66175995      6.38260923    -13.64652881
  H     14.71531595     -0.31862231    -15.50392420
  O     16.47800543      9.52055039    -11.32409410
  H     12.54031671      7.65618910    -13.32061071
  H     14.07420514      0.43218782    -14.31352961
  O     13.86400954      4.54301538    -14.28102354
  H     12.74611088      8.38012939    -11.94890861
  H     10.11020669      5.81356670    -11.08998359
  O     15.65232197      7.57751538    -16.29664752
  H     13.01808419      0.33003002    -12.33828051
  H     11.36584412      6.38352746    -11.79447956
  O     17.07933013      5.30306721    -15.83478392
  H     12.32674448      1.48900920    -13.08704823
  H     16.70362334      5.53972623    -11.69968477
  O     13.80386298      9.53266643    -10.85029867
  H     14.03975378     -0.70263864    -10.09683033
  H     17.67887250      6.03798365    -10.61810620
  O     15.13562837      6.03140862    -12.33811348
  H     14.88078133     -0.05859822    -11.22625033
  H     16.31387226      2.91306417    -13.86200257
  O     13.48467104      5.43594801    -10.06987918
  H     16.18567204      8.09978691    -14.59296012
  H     15.69863798      2.00408973    -14.95136314
  O     14.89643166      0.32549594    -14.82475379
  H     17.34153567      7.58004587    -13.71217165
  H     16.58713731      0.97552729    -12.18003970
  O     10.98866931      5.58433690    -11.37977567
  H     16.92305695      8.90675104    -10.72889307
  H     15.92561262      0.03904103    -13.20798906
  O     17.59619667      5.40232749    -11.33965158
  H     16.55918754      9.14383826    -12.21256356
  H     13.24934964      6.21684953    -14.86928995
  O     16.04764969      2.88988626    -14.79274616
  H     14.31130278      5.07335947    -13.60279944
  H     13.91775378      7.43563283    -15.49853647
  O     16.26250499      0.07290005    -12.30390196
  H     14.53512381      3.93841852    -14.61870486
  H     14.36143915      8.29451245     -9.48247496
  O     13.16434906      7.17615850    -14.95682870
  H     16.11234596      6.72312244    -16.20830828
  H     14.29882442      6.78253551     -9.20254002
  O     14.77843642      7.59097275     -8.97097502
  H     15.83953467      7.90023129    -17.17379415
  H     16.49079404      7.49091567     -9.22053639
  O     17.43580957      7.48788331     -9.46124140
  H     16.76019607      4.42399397    -15.59361062
  H     17.91638508      7.72566724     -8.67256555
          69
 Energy    -248.21521687993084     
  O     14.12349682      9.26530756    -10.51257590
  H     13.93858071      9.90907738    -11.20999399
  H     15.72620956      4.55888514    -16.08687510
  O     13.24287836     10.80551983    -16.35782546
  H     13.35358041      8.68247593    -10.44617491
  H     11.85474694      7.16910122    -11.45065237
  O     16.60168927     11.07615396    -13.20745679
  H     13.08378709     11.56159919    -15.77907183
  H     11.68308003      6.83196895     -9.96245302
  O     13.77434168      4.76562021    -13.05531546
  H     13.03100362     10.02249914    -15.83338145
  H     18.46365546      8.07872123    -14.95899296
  O     17.18779861      6.28380455     -9.01850485
  H     15.66541405     10.89708317    -13.04198539
  H     18.97462109      7.86644877    -13.53867538
  O     15.88097300     13.04373439    -15.08479500
  H     17.04433063     11.08507212    -12.35115246
  H     14.17905517     13.10626252    -14.67302505
  O     15.82918391      7.76245100    -12.14216907
  H     14.38784362      4.79874838    -12.30904885
  H     12.83277880     13.81330314    -14.37799011
  O     13.82521413     10.71988168    -12.84488154
  H     14.32849406      4.64536565    -13.83622167
  H     13.83111814      8.23149013    -14.73730098
  O     18.54796693      8.47993689    -11.85433014
  H     17.40932558      5.91558694     -8.16656897
  H     12.44433622      7.98443267    -14.10173591
  O     17.85945428     10.91212112    -10.65021708
  H     17.96873465      6.15705124     -9.58714787
  H     15.78587958     11.31974628    -18.20660318
  O     17.82803947      5.09330653    -13.29317245
  H     15.96264537     12.53868427    -15.90328682
  H     14.86551559     10.99574451    -17.00588596
  O     15.66859921      4.81589058    -15.17031665
  H     16.27338998     12.48793563    -14.39690483
  H     12.45319605      5.86115354    -13.13721402
  O     12.00733825      7.50583354    -10.55583908
  H     15.24797200      8.29242727    -11.58313488
  H     10.96401099      6.04730992    -13.51900802
  O     18.89128650      7.42417041    -14.39573655
  H     15.78392623      6.85377266    -11.81723535
  H     16.24579353      5.39721690    -10.40164391
  O     13.24288662     12.95600388    -14.44788625
  H     13.53108203     11.53846158    -13.26255173
  H     16.62983299      5.03043006    -11.86997144
  O     12.98279762      8.65506252    -14.53631258
  H     13.50585394      9.99443712    -13.40056788
  H     18.94830407      5.45869571    -11.62795379
  O     15.78750207     11.17344550    -17.26450456
  H     18.55087700      9.35106521    -11.44532574
  H     19.13242049      6.90076957    -11.14481857
  O     11.72348781      6.50711441    -13.17051479
  H     17.61372527      8.24670799    -11.96914588
  H     15.59421735      7.57379267    -13.87830086
  O     15.88550703      5.12779411    -11.25568170
  H     18.28202946     11.58217630    -10.12018228
  H     16.07945215      8.18247649    -15.21114402
  O     19.17438534      5.97839154    -10.84888611
  H     17.38507573     10.32394930    -10.03463603
  H     16.72410745      8.21403549     -9.05091625
  O     15.47089427      7.53019274    -14.84023962
  H     18.23430153      5.87025222    -13.70922679
  H     15.60427438      9.21172353     -9.43756849
  O     16.50478868      9.15157008     -9.08583753
  H     17.18633506      4.77620347    -13.93868657
  H     17.12324066     10.03759829    -14.66892347
  O     17.23635879      9.53344819    -15.48812974
  H     15.61367824      5.78764385    -15.15327810
  H     16.84994211     10.06928082    -16.19183788
          69
 Energy    -248.21521101936793     
  O     16.11324969     10.29988742    -16.58991637
  H     16.26812382      9.91246108    -17.45881874
  H     20.94350607     10.73902763    -16.29713293
  O     16.86464888      4.26592422    -14.29141275
  H     15.17008141     10.21587356    -16.38468766
  H     17.93521554      8.66993155    -14.36953521
  O     15.59066361     12.44147130    -10.37050564
  H     17.22654153      4.47303795    -13.41771124
  H     16.82911918      9.10388819    -15.39837277
  O     19.60202904      8.93599468    -13.59500723
  H     16.35963285      3.46323659    -14.18649044
  H     13.54290805     10.06117970    -14.83303525
  O     15.65671473      6.66635238    -17.68679146
  H     15.88549472     12.31863523    -11.28452198
  H     13.43983414      8.87515796    -15.81725451
  O     15.35697488      8.95340164     -9.23742687
  H     14.75208378     11.96921428    -10.30289554
  H     15.95245155      7.36143613    -11.88426584
  O     14.93101546      7.68987979    -13.33993562
  H     19.24431542      9.37166737    -12.80933795
  H     17.14698195      6.53447642    -11.34228616
  O     16.46816506     11.49187047    -12.85328606
  H     19.88558249      9.59123909    -14.24447684
  H     12.89403853      6.35846150    -15.51549953
  O     19.80882102      6.19723027    -13.78207339
  H     16.41870491      6.31477139    -17.21037559
  H     14.06467767      7.06283322    -14.79539257
  O     17.93836115      6.11616954    -16.03693091
  H     14.94184826      6.73228424    -17.04160400
  H     16.78301620     11.57973783     -9.42841173
  O     18.19558588      5.09269156    -11.92347308
  H     16.07369680      9.55755687     -9.00664814
  H     17.82321896     11.43274487     -8.29070888
  O     20.13737044     10.41839738    -15.90086886
  H     15.75139439      8.27907421     -9.80557419
  H     17.61808869      8.86010197    -11.33825757
  O     17.10453220      8.40907847    -14.78481670
  H     14.50924046      8.54177496    -13.15432129
  H     18.02593391     10.13844175    -10.55995782
  O     13.53999257      9.83289172    -15.77292115
  H     15.73319420      7.89696460    -13.84853865
  H     12.63443410     10.54531337     -9.70705269
  O     16.61485352      7.32164404    -11.17902648
  H     17.03474531     10.85482124    -12.39913330
  H     14.04531927      9.93347620     -9.87696460
  O     13.64988072      6.92226106    -15.66231548
  H     16.94016504     11.77146003    -13.65037242
  H     18.93954592      7.51639589    -17.09625791
  O     17.40350248     10.95959344     -9.00340093
  H     19.87107454      7.15793906    -13.67236667
  H     18.41236185      8.59131175    -18.05526217
  O     18.09906942      9.69674191    -11.41494128
  H     19.39973049      6.06075332    -14.64302770
  H     13.64058780     10.38487853    -12.11022603
  O     13.40709374     10.55835720    -10.26529145
  H     17.61367238      6.92545981    -15.60671033
  H     14.83853813     10.72965112    -13.03023041
  O     19.14884690      8.38057773    -17.46683973
  H     17.56921137      5.37688093    -15.53073045
  H     18.66113494     11.58512154    -15.43068512
  O     13.98923065     10.26249415    -13.00127802
  H     18.69226044      4.54562618    -11.32043387
  H     17.16765618     11.52633493    -15.77110592
  O     17.80948852     11.96768796    -15.19443996
  H     18.84062141      5.48784139    -12.53911297
  H     16.48602010      8.89294486    -19.83036952
  O     16.72186482      8.83218392    -18.90898088
  H     19.80794937      9.70823375    -16.47913220
  H     16.27673333      8.04153119    -18.55316423
          69
 Energy    -248.21502082791591     
  O     15.43218324      8.20733518    -14.40553020
  H     15.96693350      7.40284897    -14.37678516
  H     12.88220648     12.38499890    -11.77095237
  O     14.86737145     10.51756141     -8.26826163
  H     14.51138204      7.92054171    -14.36320459
  H     17.82006215      3.95186493    -11.64853756
  O     17.13871037     10.22361864    -15.22026851
  H     15.11567294     10.77193037     -7.38374544
  H     17.39678760      5.42114132    -11.40462476
  O     12.23089155     10.53189264     -9.37438892
  H     15.08376989     11.27268098     -8.84627799
  H     15.22458633      8.94693286     -9.22162847
  O     12.98367107      7.02740357    -13.96930585
  H     16.48337518      9.52804443    -15.05542731
  H     15.44569844      8.86017185    -10.74018908
  O     18.80175707      7.83776332    -14.70220693
  H     16.63320813     11.04622260    -15.22161044
  H     17.02548511      5.38914670    -13.61914541
  O     17.69490390      6.87818149    -10.58687449
  H     12.25282542     11.36179440     -9.86680696
  H     16.00269098      5.34479758    -14.77170415
  O     11.12979790      8.43610962    -10.66131890
  H     13.07684037     10.47320883     -8.91460354
  H     17.42157315     12.43093670    -12.27521282
  O     15.39518709     12.47111576    -14.76385386
  H     13.13169382      6.93647067    -13.01500665
  H     16.28898225     13.07462267    -13.07199426
  O     11.62396330      9.40057770    -13.31996686
  H     13.25071632      6.19205518    -14.37055407
  H     13.88224434      3.81524587    -15.20561288
  O     13.52209710     11.34499107    -13.06478189
  H     18.20179641      7.08617775    -14.79217260
  H     14.24161290      4.41141293    -13.82088549
  O     12.58037260     12.85828813    -10.97687682
  H     18.36428738      8.59970026    -15.09895704
  H     15.57104355      9.19119264    -12.93129409
  O     17.21718890      4.62877389    -11.94326156
  H     18.30376189      7.47946398    -11.03188611
  H     16.48681395     10.23461556    -12.23063899
  O     15.37021237      8.31804758     -9.93766855
  H     16.94350916      7.39626756    -10.27029661
  H     17.97949695     10.62405073    -13.60253304
  O     16.80593174      5.78925038    -14.47215563
  H     10.28479549      8.24445269    -10.26356885
  H     18.75609214     10.05430262    -12.38583383
  O     16.72719221     13.10176228    -12.21499333
  H     11.51287500      9.18010484    -10.16212132
  H     12.54672485      7.27117797    -10.95070853
  O     14.22187857      4.59694527    -14.77866386
  H     14.65926466     12.09632228    -14.25185033
  H     14.07251742      7.26662250    -10.70504243
  O     15.62682819      9.79947210    -12.17990179
  H     15.01042826     13.09263585    -15.37747089
  H     20.49796413      8.27273754    -12.03777747
  O     18.20883889     10.79302983    -12.67689592
  H     11.34384965      9.13032769    -12.43646511
  H     19.34318002      8.13989689    -13.05938828
  O     13.36550417      6.81623256    -11.18709448
  H     11.96983163      8.59754897    -13.73108217
  H     14.33146242     12.87282873    -10.19674169
  O     19.55669740      8.38823186    -12.14217136
  H     14.24212688     10.85968271    -12.63387914
  H     15.79970609     12.83492076    -10.65975782
  O     15.22099680     12.63427681     -9.91115390
  H     12.81238192     10.70807925    -13.23755614
  H     15.34417215      4.39045782    -11.91860925
  O     14.39526659      4.34679716    -12.09381025
  H     12.02061644     13.57052891    -11.27396848
  H     13.99895729      5.11142802    -11.65490306
          69
 Energy    -248.21496455503697     
  O     20.21391519      8.91672069    -14.18370887
  H     20.01906973      9.54296331    -13.47746539
  H     17.18644287      8.90184970    -15.09269533
  O     15.61191014      8.56743758    -10.32437896
  H     20.41069777      8.07335872    -13.75313629
  H     16.94473872      6.06423401    -13.03399274
  O     12.48882433     10.35443729    -13.90184743
  H     16.06847967      9.21739153    -10.87865415
  H     17.26716289      7.55810155    -13.29587557
  O     18.53997200      8.58609909    -16.27511143
  H     16.27318692      7.93098720    -10.02228441
  H     14.01046052      7.71648926    -13.76249606
  O     11.78243497      8.60861261    -11.67265720
  H     11.95587346     11.03926914    -14.29647879
  H     13.42810701      8.90639490    -14.55769461
  O     18.28053384      3.96835075     -9.94708109
  H     13.10204982     10.79579923    -13.28641058
  H     17.81731460      5.79757322     -9.83104231
  O     13.99562317      7.03243927    -12.08467676
  H     19.20402454      8.71577200    -15.57298840
  H     17.58072040      6.77776108    -10.99773629
  O     20.80125802      4.33172285    -11.15967023
  H     18.88322307      9.00450092    -17.05974179
  H     18.68472562      4.74230959    -15.11932390
  O     17.49730915      3.37890899    -12.43883112
  H     12.15601062      9.10423400    -10.93184149
  H     19.79374256      4.94308672    -14.07911937
  O     15.40389284      4.98183642    -13.33692896
  H     11.84083925      9.19609843    -12.43564659
  H     15.10037816     11.24456145    -12.05680356
  O     20.29657705      6.49172008    -12.77721370
  H     17.96119991      3.71772976    -10.83544513
  H     13.83345384     11.09485045    -11.19262668
  O     16.61715848      8.95944843    -14.31498333
  H     17.99601346      3.28423841     -9.34747961
  H     20.28387940      7.65928602    -11.20441543
  O     17.52777292      6.78874597    -12.77579807
  H     14.60830424      7.49285281    -11.49721442
  H     19.20302138      7.78984391    -10.12888699
  O     13.99139753      8.12684680    -14.64104221
  H     13.12060589      7.41102291    -11.91374931
  H     20.20611466     11.22753769    -11.55953816
  O     17.63120769      6.72254347    -10.02881107
  H     21.01719801      3.47788592    -11.53149549
  H     19.74408527      9.77484375    -11.29615874
  O     19.20243186      4.27895731    -14.44294885
  H     19.99259556      4.19631664    -10.64437481
  H     14.19899704      5.53329361    -16.61781275
  O     14.15083400     11.42225825    -12.04353178
  H     16.65483485      3.75487926    -12.72403326
  H     14.45761356      6.69797502    -15.63508352
  O     19.96356776      8.24703497    -10.50946696
  H     18.12982550      3.58573776    -13.14297433
  H     16.74596342      5.85202325    -16.22417605
  O     19.59573234     10.55780493    -11.85709572
  H     14.82743040      5.56626488    -12.82441420
  H     18.00637680      6.73896771    -16.29742848
  O     14.82978494      5.87330024    -15.98744477
  H     15.19387480      5.12347838    -14.26731461
  H     14.15014410      9.44363506     -9.80280100
  O     17.70913211      5.82550929    -16.21281009
  H     19.32614033      6.51952532    -12.80341958
  H     13.26051822     10.17797845     -8.77330902
  O     13.34836246      9.98545413     -9.70315575
  H     20.55668366      5.74626748    -12.21569098
  H     16.72126953      9.97884113    -12.88613610
  O     16.79569639     10.43137667    -12.03152778
  H     15.71549696      8.72289388    -14.56579657
  H     17.73605464     10.60442887    -11.90583658
          69
 Energy    -248.21495651771050     
  O     16.42621430      4.90863968    -16.20020415
  H     16.54088459      5.86445673    -16.28497761
  H     17.21650669     12.15697428    -14.13335778
  O     12.89729756     10.49215984    -10.25426593
  H     15.47238541      4.76090806    -16.21697602
  H     16.70470173     10.89702048    -16.07423594
  O     19.63489385     10.15451230    -13.49936698
  H     12.16675739     11.08714887    -10.10170325
  H     16.20244218     10.91056428    -17.53768209
  O     17.25138943      3.79307183    -13.85195068
  H     13.31971768     10.78161150    -11.07985068
  H     16.30321282      9.17522144    -11.40209334
  O     12.65798451      7.64728238    -10.15126980
  H     19.11264279      9.34173755    -13.61369692
  H     15.30975417      9.81014158    -12.42339496
  O     16.36448159      6.44251641    -10.11455390
  H     20.54706567      9.92037172    -13.64868211
  H     12.90478205      4.07808853    -16.00711841
  O     14.31582701      6.81276571    -12.12377973
  H     17.03971204      4.18768208    -14.71635768
  H     13.84594254      4.42229096    -14.82565853
  O     18.32578243     11.31636287    -11.24085573
  H     17.67818851      2.95893088    -14.03048790
  H     14.74526202      8.93501512     -8.11209606
  O     14.55890334      7.01643965     -8.08599479
  H     13.15349666      7.40652998     -9.35864559
  H     14.24507840     10.13729363     -8.94223723
  O     16.35919630      7.71219779    -16.03598468
  H     12.65492015      8.61275600    -10.18571992
  H     16.60346261     13.75335881    -12.26114289
  O     18.15874312      5.79503763    -12.05524258
  H     17.10527505      6.13112290    -10.65732119
  H     17.13006132     12.32476833    -11.98711563
  O     17.64461495     11.68847688    -14.85950994
  H     15.61961265      6.47753559    -10.72728459
  H     17.09137185      8.22684331     -9.81764676
  O     16.14511151     10.42683977    -16.71809073
  H     13.61199135      7.03894121    -11.49593887
  H     16.46710484      9.52357971     -9.23716336
  O     15.87111399      9.04437074    -12.25744268
  H     14.89018545      7.59026792    -12.20551193
  H     13.98152470     10.97137535    -13.46759165
  O     13.59548252      4.67506977    -15.73367081
  H     18.06004885     10.60237620    -10.64652263
  H     14.90776608     11.88789196    -12.57960836
  O     14.95487045      9.84563658     -8.35665576
  H     18.88164947     10.91699486    -11.92139720
  H     13.60038173      6.50134945    -15.29255721
  O     16.48552197     12.83946168    -12.50682611
  H     14.56388315      6.40151642     -7.35653858
  H     13.88927319      7.16044446    -13.92906101
  O     17.16745071      9.18835763     -9.81960269
  H     15.26414995      6.73392044     -8.69110705
  H     15.44051360      4.00082412    -13.30141960
  O     14.18918992     11.24238075    -12.55883715
  H     16.35523249      8.60735552    -16.39729195
  H     14.44681071      5.05032693    -12.75081376
  O     13.81469103      7.34513781    -14.87398554
  H     15.49535584      7.59009571    -15.61589841
  H     13.66929586      9.23786921    -15.02889813
  O     14.50074975      4.20782088    -13.22038155
  H     18.19874470      6.56005223    -12.64339051
  H     14.55091687     10.32958731    -15.66322448
  O     13.82828190     10.19038631    -15.03941100
  H     17.91230477      5.05226906    -12.62060190
  H     17.52387168      7.85517371    -14.62456153
  O     17.92452559      8.05383532    -13.76883028
  H     18.39936622     11.23015452    -14.47042309
  H     17.21381614      8.44705673    -13.23878280
          69
 Energy    -248.21490344175652     
  O     16.39732787     11.45273085    -12.59300550
  H     16.92675263     10.66482037    -12.42199851
  H     12.53721551      7.99962168    -13.92157918
  O     18.42420572      7.82010656     -8.32498486
  H     16.31154281     11.90543466    -11.74383108
  H     12.94429944     11.82853619     -8.90219164
  O     14.90602120      5.45515511    -11.40992099
  H     18.89198363      7.60459714     -9.14112136
  H     12.69589162     12.09009119    -10.40027105
  O     11.83511497      6.66641364     -9.78334926
  H     17.96432788      8.65319908     -8.49321560
  H     14.68177678      8.17649169    -14.35130993
  O     17.55963643      4.99008756    -10.51383426
  H     14.76039250      5.76832011    -10.50403237
  H     14.35140123      8.40791163    -15.84627142
  O     16.99735902      5.58029299     -7.76611472
  H     14.03969827      5.20024526    -11.74827115
  H     18.75162343      6.22970175    -10.84268216
  O     17.59700245      9.00900666    -11.67559154
  H     12.65191460      6.46160144     -9.31085954
  H     20.20451038      6.62955103    -11.19779128
  O     15.98725949     12.55460671     -9.99346067
  H     11.82393180      6.07051641    -10.53975453
  H     14.47018151      7.26322019     -8.67475634
  O     10.95417892      9.29750694     -9.74251900
  H     17.38858454      5.03128858     -9.56408478
  H     15.27248231      5.98138634     -8.33734743
  O     16.85828868     10.00820707     -9.16498832
  H     16.69202689      4.99495360    -10.93662321
  H     10.92100948     10.90353040    -12.12700267
  O     13.86685127      9.02426267    -11.41017510
  H     17.30454039      5.17851214     -6.95806528
  H     12.35687740     11.37375010    -12.47258979
  O     12.01741746      7.77116240    -13.14057885
  H     17.50313355      6.40514005     -7.88118021
  H      9.73942881      9.21815129    -11.46284951
  O     13.30770575     12.27553899     -9.67454413
  H     17.32051671      9.33714885    -10.80767345
  H     10.40397011      8.79471740    -12.77869343
  O     14.02507126      8.55511159    -14.96256632
  H     18.30887684      8.37739335    -11.51258940
  H     11.62558962     10.09502832     -8.32371480
  O     19.36601132      6.98244538    -10.91326677
  H     16.21371154     13.44950537     -9.75411299
  H     11.67362094     10.65744537     -6.88217353
  O     14.48430480      6.30128184     -8.79254514
  H     15.02306022     12.47231321     -9.88154617
  H     11.59378330      4.57717991    -12.65706149
  O     11.69143115     11.36333763    -11.76935970
  H     11.26978427      8.38074124     -9.78396132
  H     12.06872023      6.04955926    -12.66251395
  O      9.77464228      9.42464839    -12.40376611
  H     11.38658361      9.80694357    -10.43955738
  H     13.88149360     10.28781789    -14.10009314
  O     12.19647135     10.53692001     -7.66974697
  H     16.69799918     10.93885650     -9.36349789
  H     14.76225403     11.24208940    -13.24185758
  O     12.20479240      5.18243413    -12.24461375
  H     15.99653230      9.64297808     -8.91529127
  H     14.09082612      9.07938064     -9.64783424
  O     13.84651623     10.99355183    -13.44503510
  H     13.80974310      9.83843215    -11.92695231
  H     13.66486391      9.52663571     -8.21733957
  O     14.33107781      9.03222905     -8.70773966
  H     14.53172102      8.48250346    -11.85450282
  H     16.41338045      8.03851880    -12.59783544
  O     15.66934895      7.57387341    -13.00753927
  H     12.49912350      8.15556468    -12.39353179
  H     15.49771935      6.76408688    -12.50663541
          69
 Energy    -248.21446338020155     
  O     14.55806841     10.14878266    -10.89825455
  H     14.52773215     10.62224954    -11.74102666
  H     12.20206147      8.04172062    -10.89576491
  O     13.78468738      9.92805928    -16.90327346
  H     15.24930697     10.52858963    -10.34143039
  H     18.57075162      7.08744495    -14.51377732
  O     17.19624277     10.48480875    -13.96848204
  H     13.82316519     10.84969337    -16.61775301
  H     18.46304598      5.71354702    -13.82250431
  O     13.52850781      5.26816153    -12.61816990
  H     13.46117109      9.42890633    -16.14302421
  H     15.26529155     12.39234412    -16.08163472
  O     16.47928234      8.19616969     -8.22889450
  H     16.26354288     10.63359749    -13.76771206
  H     14.12120103     13.43619537    -16.10033697
  O     16.88402805     11.82433009    -16.41008090
  H     17.68177731     10.55468899    -13.13415821
  H     13.96799242      7.95895287    -14.46421092
  O     15.87962832      7.83810438    -11.77068116
  H     14.11200430      5.63743032    -13.29281582
  H     12.58757103      8.25242851    -13.83848448
  O     14.44741938     10.96791592    -13.52164556
  H     14.05521024      5.21046462    -11.80981600
  H     16.27528480      9.18787551    -18.76785576
  O     18.63337418      7.71831946    -11.38935099
  H     15.59432058      7.81762918     -8.15420841
  H     15.36934947      9.52501042    -17.55945614
  O     18.37777159     10.47369001    -11.50092981
  H     17.04923897      7.47410674     -8.51552753
  H     12.24071694      6.47777575    -12.54141490
  O     17.04110740      4.48529325    -13.80134906
  H     17.17866201     11.46391963    -15.56125535
  H     10.76019024      6.90902094    -12.66706931
  O     12.59164971      8.38217473    -10.08312413
  H     16.83034497     11.06922831    -17.00823616
  H     13.34758414      6.73467758     -7.50250608
  O     18.96469745      6.54005067    -13.82319888
  H     16.83573530      7.92903839    -11.65778459
  H     13.37609860      7.45504863     -8.87290034
  O     14.33165527     12.54258518    -15.84503521
  H     15.44978625      8.64129189    -11.45465059
  H     14.70272035      5.88491528     -9.57515873
  O     13.25393583      8.61004769    -14.43739028
  H     14.33319599     11.62642387    -14.21772799
  H     15.42177994      6.39349968    -10.84513676
  O     16.29287698      9.38691743    -17.83566528
  H     13.99712109     10.16493316    -13.82174780
  H     16.94881048      5.60370866     -9.71831858
  O     11.64400018      7.24672974    -12.54375642
  H     18.55141021      7.04258508    -10.70816959
  H     18.21796288      5.09876654     -8.99633183
  O     13.90605455      6.92182708     -8.25166891
  H     18.85752390      7.28182068    -12.22709539
  H     15.54221378      7.15222623    -13.32398277
  O     15.21181412      5.58873569    -10.34189162
  H     17.87391072     10.66695137    -10.70286808
  H     16.02635283      7.19039731    -14.79328130
  O     17.81386755      5.87668004     -9.37300799
  H     18.64787957      9.54737470    -11.41942615
  H     16.84554616     11.33841040     -8.46522299
  O     15.37610732      6.77705598    -14.20612940
  H     16.40520759      5.18526107    -14.00378896
  H     16.65403917      9.84256077     -8.80944901
  O     16.68528868     10.73886308     -9.18916209
  H     16.53546008      3.79371692    -13.37940096
  H     17.34346617      8.97501777    -14.93470550
  O     17.32099161      8.19163638    -15.50642976
  H     13.19921814      9.08924340    -10.34522678
  H     17.07218376      8.50235400    -16.38493933
          69
 Energy    -248.21432315977668     
  O     17.72989867      8.08322947    -16.00524045
  H     18.34995348      8.29253884    -15.29856560
  H     15.47756562     10.70159314    -17.92212635
  O     15.00315853     10.35888125    -11.34381041
  H     16.98565606      7.64250486    -15.57538877
  H     17.46672388     13.65415761    -13.04347918
  O     15.46051817      7.29331437    -14.49825576
  H     14.68275157      9.84250186    -10.59432034
  H     18.54781241     13.16588156    -14.00420263
  O     13.99020503      8.50922779     -9.48476900
  H     14.28482466     10.37931481    -11.99381738
  H     13.13953496     13.61916891    -13.39623309
  O     15.50824598      6.61772396    -10.72493121
  H     14.81778183      6.75205756    -14.02409885
  H     13.38555348     13.08293918    -14.81896059
  O     16.20438297     11.37465232    -14.43122514
  H     14.97938224      8.02772267    -14.90922809
  H     19.92826168      8.34899143    -13.23501926
  O     12.93329196     10.34621492    -13.22024667
  H     13.89987663      8.37919483     -8.54496707
  H     18.44003877      8.75392482    -13.12401969
  O     16.84636811      8.49172175    -12.40952039
  H     14.54611990      7.78276319     -9.81950293
  H     13.07730627      5.20279853    -12.92959414
  O     19.01184057     11.46282069    -14.65962162
  H     14.93041682      6.22658970    -11.39257047
  H     13.08858176      6.68286087    -12.47683084
  O     14.37398464      9.61753299    -15.46972437
  H     16.13946270      7.16035533    -11.21524344
  H     14.61031045     15.14987200    -13.01107265
  O     17.07832037     10.12755648    -17.76482900
  H     17.15172795     11.33347622    -14.61122164
  H     13.78315570     15.54786030    -11.76234158
  O     14.55660636     11.02727001    -17.92799008
  H     16.10164987     11.84328142    -13.59255719
  H     16.76483376     13.73643623    -16.70527032
  O     18.03133649     13.95068288    -13.77098267
  H     12.75576199     11.27662412    -13.41881948
  H     17.89022071     14.06863344    -15.71877858
  O     12.83522091     12.96520252    -14.03798979
  H     13.31422347      9.98223210    -14.03102438
  H     15.37405315     13.45512355    -11.97523349
  O     19.24950136      8.87510268    -13.64993162
  H     16.28704409      9.20246150    -12.07045499
  H     15.76413759     11.99868031    -11.59396667
  O     13.64641166      5.95894492    -12.81456241
  H     16.37142325      8.08226372    -13.14898188
  H     15.42621400     12.59165842    -15.51118331
  O     14.09583362     14.79848393    -12.26141151
  H     19.24289454     11.47151607    -15.59735427
  H     14.68868702     12.58061555    -16.86033605
  O     17.71061880     13.91398738    -16.65501241
  H     19.22124627     10.58911705    -14.30535081
  H     12.33974558      8.86712957    -12.27468562
  O     16.08779702     12.80559409    -12.01932709
  H     14.24352393      9.96353761    -16.35869988
  H     12.68749646      8.23764681    -10.90912963
  O     14.95268344     13.16353374    -16.13692184
  H     15.07546303     10.16479731    -15.07842069
  H     16.51924871     15.09773896    -14.20970555
  O     12.27600075      8.04984041    -11.76108704
  H     17.86634640     10.68115843    -17.76906522
  H     15.31449633     14.80880400    -15.11996406
  O     15.62045701     15.38826936    -14.41124753
  H     17.28626972      9.36762681    -17.20157134
  H     18.76903369     12.66201526    -17.25584192
  O     19.30674347     11.86907028    -17.43450730
  H     14.21289194     10.86868553    -18.80242693
  H     20.01016365     12.13619245    -18.01968529
          69
 Energy    -248.21412810484543     
  O     -9.20578441     -1.16500943      5.59229117
  H     -8.34644405     -1.33796477      5.99571260
  H     -7.38176691     -2.20864454      0.17426590
  O    -10.99706717     -0.34102196      1.53452472
  H     -9.16841964     -1.54069564      4.70266850
  H     -5.00379116     -1.31641368      2.56800230
  O     -8.86859451     -1.69724942      2.79974675
  H    -11.10542566      0.44560659      2.08355960
  H     -5.57276752     -2.13336109      1.37661534
  O     -5.40251810      0.70802971      0.04607831
  H    -10.36335312     -0.90975464      1.99155726
  H     -8.16871796      1.06751712      3.91241979
  O     -5.75734594      1.25254230      7.10714395
  H     -8.34668574     -2.23407796      2.19278083
  H     -7.31669384      1.39663340      2.64183763
  O     -2.54406607      3.13217224      1.87181157
  H     -8.40972433     -0.84515765      2.86504324
  H     -6.10988237     -2.28120095      6.89902128
  O     -9.29603517      2.81756823      0.80757831
  H     -5.21464724     -0.04657534      0.62275946
  H     -6.07130086     -1.32721230      5.68310826
  O     -9.47408551      1.51552170      5.09814950
  H     -4.54823398      1.05165615     -0.24342206
  H     -3.07112239     -0.99258492      1.49572714
  O     -5.39407404     -0.64297244      4.17889550
  H     -6.01580882      0.32534511      7.04715282
  H     -2.35081620      0.13368433      0.72651175
  O     -2.80432361      1.64955657     -0.38900049
  H     -5.04058333      1.37852488      6.47260087
  H     -6.85816640     -0.21609984     -0.71160870
  O    -11.05693560      2.13345348      2.97659584
  H     -3.33575541      3.43245913      2.33477913
  H     -8.39444765     -0.33505592     -0.89620814
  O     -7.20028736     -2.90726073      0.83081854
  H     -2.08773713      2.54298470      2.48573279
  H    -10.68380312      0.55438670     -1.48674329
  O     -4.85395428     -1.54606367      1.63899773
  H     -9.90092780      2.68107444      1.54725831
  H    -10.41123014      0.19149616     -0.00654136
  O     -7.56297079      0.69678410      3.25705347
  H     -9.51732461      2.13608134      0.16045324
  H     -7.13184512      2.35248018      6.98695257
  O     -6.50593846     -1.49218537      6.53690193
  H     -8.99231708      2.04505933      5.74880411
  H     -8.03933052      3.36782105      7.69942231
  O     -2.25129401     -0.48214486      1.46294683
  H     -9.48378141      0.59142909      5.39281455
  H     -0.62075789      0.86321786      3.82604213
  O     -7.57588266     -0.84508456     -0.86009443
  H     -4.78374668      0.05560858      4.45130717
  H     -1.75037985      0.44165431      2.85549020
  O    -10.01371222      0.57707194     -0.80876219
  H     -6.19444105     -0.18905099      3.86803620
  H     -4.28520569      2.28034604      4.43555856
  O     -7.91940672      2.91084153      6.87101677
  H     -2.31476046      2.03069124     -1.11256937
  H     -3.02191954      1.39240108      4.59187394
  O     -1.51652391      1.06329005      3.56839020
  H     -2.71145515      2.25692387      0.36699085
  H     -7.58333639      2.83393709      1.19499273
  O     -3.90503395      1.55365482      4.94821164
  H    -11.84363626      2.59110053      3.26225714
  H     -6.25589415      2.03390557      0.91677789
  O     -6.68126266      2.66948299      1.50992329
  H    -10.53355432      1.95603326      3.77680373
  H     -5.58373813      3.33980407      2.68840580
  O     -4.93341944      3.64152508      3.34577679
  H     -7.30362540     -3.74147688      0.38101951
  H     -5.30018514      4.42232983      3.75361927
          69
 Energy    -248.21403848949731     
  O     10.30737939      5.40953472    -11.97010182
  H     10.72044572      4.99433667    -12.73539943
  H     15.43639628      7.81617350    -14.30225638
  O     14.60666981      4.33841515     -8.60771339
  H     10.45711512      6.35777235    -12.06931853
  H     14.02800086      5.10677728    -12.14347447
  O     16.13976041      9.34709999    -13.68004533
  H     14.00910342      5.04415640     -8.33004710
  H     14.60265674      6.36411848    -12.85970420
  O     17.24359957      5.35297853    -14.20187010
  H     15.33245929      4.76206299     -9.08299757
  H     11.66176508      3.73276227     -9.68662352
  O     17.38130215      8.21425488    -10.16368097
  H     15.78970106      9.42630364    -12.78198517
  H     10.75803839      4.80288884    -10.34841090
  O     11.04157232     10.74277771    -12.93525147
  H     15.73612563     10.05137403    -14.20257080
  H     14.76754575     11.85977780    -15.76767076
  O     12.56109197      6.26700749     -8.08290333
  H     17.71150712      6.06263973    -13.73363701
  H     13.82957588     10.75419772    -15.22605830
  O     12.35341655      7.06853744    -14.70323908
  H     17.13362444      4.63466413    -13.57173787
  H     12.94113206      7.37248890     -9.50684973
  O     13.72811062     11.57843568    -12.31275435
  H     17.89786791      8.74467396     -9.56175577
  H     13.53457376      7.10830106    -10.92015203
  O     16.67126928      3.41040078    -12.10159673
  H     16.62106505      8.75939726    -10.42617533
  H     17.67356473      8.28572063    -13.29918934
  O     16.46676722      5.55362864    -10.34671816
  H     11.01503755      9.81086037    -12.65746060
  H     18.11432807      7.75047539    -11.94109295
  O     15.06450048      6.94556040    -14.50019968
  H     10.17731690     11.10620328    -12.76105109
  H     14.69161120     10.38859350    -11.37034619
  O     14.32914633      6.01189803    -12.00197900
  H     12.14438536      6.46852110     -7.24975954
  H     14.43756417      9.00277954    -10.73116837
  O     11.11629799      4.50378492     -9.49913315
  H     11.96710280      5.65364968     -8.55627596
  H     11.79357926     10.21605785    -14.61309553
  O     14.63276489     11.26989908    -15.03131521
  H     12.07825964      6.14656357    -14.65025501
  H     12.26205373      8.90270499    -15.27639534
  O     13.14833303      7.79314557    -10.34957186
  H     13.32287677      7.04704763    -14.73897844
  H     13.70956526      3.10557554     -9.43605885
  O     18.23114699      7.61189756    -12.88672834
  H     14.08011613     11.64742925    -13.20864306
  H     13.12015417      1.67346429     -9.47968717
  O     15.13795825      9.59389696    -11.04102586
  H     12.79189303     11.37171698    -12.42402158
  H     11.67873881      7.75292793    -13.13109394
  O     12.32998007      9.86346453    -15.33487543
  H     17.32828716      2.75621333    -11.87476175
  H     11.86528975      8.03632589    -11.60128900
  O     13.14554669      2.50088021     -9.95279332
  H     16.73297637      4.10956427    -11.42994251
  H     12.54068275      3.88382230    -13.66976807
  O     11.23914473      8.09298467    -12.33749336
  H     15.72448590      5.76574732    -10.93551870
  H     11.50700322      3.63273479    -14.78589401
  O     11.81744501      4.29329392    -14.17029851
  H     16.89840138      6.39591292    -10.16421075
  H     14.80613742      3.23411717    -12.51429825
  O     13.84348012      3.31624893    -12.51199520
  H     15.80548153      6.32367871    -14.55750472
  H     13.53692675      2.95827506    -11.66602421
          69
 Energy    -248.21388195442415     
  O     -6.63333639      2.53439468      0.23161177
  H     -6.45548987      2.82072034     -0.67764273
  H     -6.26955743      0.34033755      2.98798312
  O     -3.89190425      1.58812011     -3.66217633
  H     -6.40550534      3.27318672      0.81086257
  H     -1.35834374      1.35338697      2.27149406
  O     -3.76728462     -0.81258911      2.08548861
  H     -4.13864140      1.57416159     -4.58460798
  H     -0.49650200      2.62007167      2.25304463
  O     -0.98580644     -0.57568856     -1.14707354
  H     -4.28700783      0.79850348     -3.25781236
  H     -2.03669931      2.87650227      0.86037936
  O     -4.84193958     -0.60962043     -2.27241149
  H     -3.95318185     -0.19203885      1.36208902
  H     -3.17695388      2.27691005      0.01473454
  O     -4.59820663     -2.90592747      0.42831196
  H     -4.33675317     -0.53526836      2.81271327
  H      0.66564483     -0.28936216      1.98260656
  O     -2.80845918     -2.48523685     -1.77602325
  H     -0.01792094     -0.62124126     -1.11675725
  H      1.98718887     -0.55170005      2.74013108
  O     -1.44648496      1.94752126     -2.26659866
  H     -1.21058149      0.26931568     -1.55779088
  H      1.46003642      1.79487216      1.65736787
  O     -1.09971387     -0.41692462      1.66804408
  H     -5.63672673     -0.93617668     -1.82956710
  H      1.15174476      2.70458221      0.45813035
  O      1.71031536     -0.27943357     -0.86823866
  H     -4.17057169     -1.30149626     -2.19341248
  H     -3.15851790      2.65700094      3.09364355
  O     -7.28228648      0.20914627      1.56423598
  H     -4.28661715     -2.29705288      1.11274526
  H     -4.52956212      2.00495548      3.44719240
  O     -5.63211353      0.42169464      3.72066674
  H     -3.92295871     -2.90051521     -0.26051087
  H     -7.52203706     -2.33187777     -0.74530800
  O     -1.38189218      2.29722523      2.47763837
  H     -2.10995550     -1.84996200     -1.54154075
  H     -6.08391454     -2.21827305     -0.18044767
  O     -2.47933291      2.95011645      0.00710880
  H     -2.39544247     -3.16556515     -2.30181615
  H     -4.47679191      0.43573427     -0.77696281
  O      1.62133981     -0.11024904      1.97800930
  H     -1.77311229      2.39430409     -1.46726589
  H     -5.15609694      1.46307723      0.17071195
  O      1.14007276      2.67506573      1.42172890
  H     -2.19689069      1.88318696     -2.86801448
  H     -4.71877520      5.10512530      0.26491204
  O     -4.09628796      2.83856179      3.23151194
  H     -1.98522989     -0.68511886      1.94926317
  H     -3.49464347      4.46712449     -0.38916684
  O     -6.81477012     -1.71306352     -0.58086150
  H     -1.10035910     -0.44337158      0.70134211
  H     -5.08135269      2.88711154     -2.71272200
  O     -4.35222275      0.94123200      0.03409879
  H      1.85868720     -0.29004926      0.08606958
  H     -5.18492768      4.08775009     -1.74412479
  O     -4.21630588      5.08799166     -0.55875200
  H      1.70143370      0.65254949     -1.12415239
  H     -5.06134795      4.01152836      2.39158699
  O     -5.70425820      3.40041810     -2.19110834
  H     -7.17344475     -0.45810304      0.87815848
  H     -6.03443887      5.20846142      2.50203525
  O     -5.65833688      4.58918710      1.88264023
  H     -7.24112182      1.06157365      1.10548367
  H      1.60349634      3.12373737     -2.03880139
  O      1.17911836      2.46275174     -1.49628023
  H     -6.12070874      0.27883088      4.52663928
  H      0.29166624      2.33228010     -1.86643448
          69
 Energy    -248.21380760673054     
  O     15.80569008     11.25976647    -15.91861410
  H     16.05771314     10.36181911    -15.65190038
  H     16.39467493      7.23716968    -12.17655002
  O     15.33045648      5.28235897    -13.91519579
  H     15.03811539     11.48998886    -15.38311494
  H     20.76448572     10.93858905    -17.19374614
  O     19.22772748     11.51742077    -10.23372182
  H     16.05616433      5.52933744    -13.33108018
  H     19.45224738     11.08595655    -16.38547817
  O     19.30588065      8.15421489    -15.53457485
  H     15.56930819      5.56012452    -14.81117644
  H     17.50668902      8.62443142    -15.19097527
  O     13.86226095      7.98074186    -17.77575023
  H     18.93226962     11.44546061    -11.15758045
  H     16.18139133      7.94323903    -15.58169925
  O     17.61959558      7.66003083     -9.37288775
  H     19.62016915     12.38101073    -10.13685131
  H     12.80036160     12.00760525    -14.28978808
  O     15.17568538      8.40334342    -12.72900365
  H     19.65973682      8.95752085    -15.94025959
  H     13.31960893     10.57660988    -14.54680966
  O     18.20220874     10.99357565    -12.73385559
  H     19.44458827      8.19555661    -14.57775158
  H     13.20727947      8.69077584    -16.12319111
  O     13.07149115      6.73049193    -13.50939660
  H     13.25593143      7.80997617    -18.49118638
  H     12.87575350      8.19982743    -14.70140410
  O     18.35328923      6.55150103    -17.52634791
  H     14.43270241      8.71951316    -18.06018246
  H     19.96143028      9.72641720    -10.14555939
  O     15.76097206      6.40558402    -16.46057021
  H     17.42206059      7.34750991     -8.49358500
  H     19.37014457      8.33180791     -9.87036555
  O     17.11239876      6.61761485    -11.97115854
  H     17.23020139      8.54958335     -9.44452529
  H     18.47974054      7.67294617    -12.62107004
  O     19.98352741     10.46668594    -16.91884071
  H     14.36888001      7.90260630    -12.89674885
  H     19.66475804      8.45928508    -12.00633275
  O     16.54934249      8.69604128    -15.09948964
  H     15.61597207      8.54005053    -13.58363634
  H     16.18436169     10.58344977    -10.32426247
  O     13.57350616     11.45468046    -14.20977250
  H     17.25066957     11.02787928    -12.56094923
  H     17.56122820     10.75374234     -9.66305740
  O     12.94277109      8.99321129    -15.24629955
  H     18.46109597     10.06425182    -12.80342574
  H     18.76821925      9.67071815    -18.20512313
  O     20.11470167      8.78397373    -10.28810667
  H     12.39921616      6.23377526    -13.05125442
  H     18.20373767      8.26213549    -18.46291320
  O     19.15965973      8.33059509    -12.82165891
  H     13.81517224      6.12047981    -13.66524379
  H     15.33717260     10.03609691    -12.18092929
  O     16.74303881     10.24266639     -9.61539320
  H     18.97714765      5.87946329    -17.78941960
  H     14.83476375     11.38337937    -12.68656085
  O     18.12102084      9.18459669    -18.72995913
  H     18.75574977      7.03263610    -16.78170762
  H     18.44401132     11.75217276    -14.42097870
  O     15.46698605     10.99330479    -12.07416102
  H     16.58886769      6.36928484    -16.95824141
  H     17.50705105     11.91163726    -15.63034764
  O     18.43037079     11.99720740    -15.35512884
  H     15.08792128      6.82936315    -17.01052935
  H     16.39989614      9.75139593    -18.62519742
  O     15.48962232     10.00395466    -18.41284051
  H     17.31192084      6.77027286    -11.03868147
  H     15.54866958     10.60127646    -17.65652364
          69
 Energy    -248.21365070288664     
  O     10.01730884      6.44258022    -12.98700419
  H     10.38462187      7.30507409    -13.20980095
  H     15.93745902      5.34240864    -14.16253354
  O     12.95785443      5.60706118     -8.20896392
  H     10.48357489      5.80522011    -13.54092193
  H     13.31604526      5.03333196    -11.90541915
  O     17.02875653      7.89568571    -12.60959621
  H     13.81779980      5.86171881     -8.56632830
  H     14.32651481      5.98664092    -12.57795954
  O     17.12304620      3.91740007    -14.10499092
  H     12.66118514      4.83396167     -8.70468108
  H     10.21906469      6.30995316     -9.81419232
  O     12.90916258     11.11958598    -14.18278108
  H     16.44751052      8.25954029    -11.92772247
  H      9.94078649      5.87668926    -11.27729469
  O     11.14913117      7.57915818     -8.69406252
  H     17.12911677      8.57686087    -13.28840253
  H     16.09675549      9.62851254    -15.09538226
  O     13.08883490      6.96016852    -15.16636336
  H     17.66485192      4.41823398    -13.46701555
  H     17.52014747     10.21548555    -15.24717903
  O     15.45019558      2.88143241    -12.03408718
  H     17.72236199      3.53460562    -14.73927841
  H     12.03768058      8.12155750    -10.21708648
  O     15.31535099     11.11318232    -12.57758059
  H     12.37185424     10.34677623    -13.93815753
  H     12.85717593      7.35726951    -11.29997971
  O     16.94701340      4.28978014     -9.98097838
  H     12.29909199     11.82345904    -14.38761120
  H     18.01822192      6.32575990    -12.27374736
  O     15.28658748      6.43328445     -9.62783906
  H     11.78991900      6.89919788     -8.41777826
  H     17.97632124      5.05526538    -11.38835713
  O     15.42094124      6.14151675    -14.00457028
  H     10.85088650      8.01856415     -7.90271695
  H     15.33061004      9.85895880    -11.26269804
  O     13.73883306      5.89437149    -11.81634926
  H     12.54173669      6.16955035    -15.09095486
  H     14.29990436      8.81998214    -10.80061748
  O     10.01138407      5.54967180    -10.36849603
  H     13.95976676      6.69669298    -14.83067145
  H     14.00148036      8.56988440    -15.77595748
  O     16.91884421      9.83215482    -14.61449053
  H     15.99358431      3.09156571    -12.80354408
  H     13.94840462     10.05317999    -15.36025223
  O     12.56707145      8.23841225    -11.01487457
  H     15.91542585      3.26623674    -11.28206213
  H     11.00471021      4.21704422     -9.98642645
  O     18.33674884      5.41513588    -12.20866741
  H     14.47306476     11.20193200    -13.04046628
  H     11.18497222      2.86580956     -9.25044608
  O     15.24232072      9.03533941    -10.76011396
  H     15.94628155     10.82932807    -13.24977384
  H     11.95902464      8.65247075    -12.63162209
  O     14.50597142      9.39139388    -15.79043319
  H     17.28570624      3.94581687     -9.15791838
  H     12.17118822      8.15051206    -14.09774347
  O     11.65362370      3.52429805     -9.75687565
  H     16.40816945      5.06696056     -9.75789803
  H     12.01241717      4.09160382    -13.77368395
  O     11.66713955      8.76959552    -13.54926498
  H     14.75038077      6.16385260    -10.39224308
  H     11.20842213      3.93909627    -15.08104798
  O     11.61354531      4.58647950    -14.50829850
  H     15.44709745      7.37551050     -9.75530525
  H     13.69010685      3.06822396    -12.23522562
  O     12.76183650      3.34210933    -12.31190958
  H     16.00596078      6.78108182    -13.57418652
  H     12.35317445      3.25471284    -11.44033124
          69
 Energy    -248.21343250297582     
  O      2.81425725      2.16420396      0.67483399
  H      2.26874296      2.88341216      0.32557933
  H      2.41080244      4.78488788      4.75385018
  O      5.14657746      5.43441762      0.34506363
  H      2.25983648      1.56456081      1.18473365
  H     -2.54977484      3.46766116      2.26033524
  O      3.88682714     -0.78518367      2.58404351
  H      5.03759534      4.80209266      1.06797597
  H     -1.52950236      4.31970964      1.47517265
  O      1.51817593      6.20303939      1.70685916
  H      5.40205936      4.91611754     -0.42597751
  H      3.99640824      1.64827781     -0.45510571
  O      3.52324391      7.58953402      0.35172121
  H      4.57798687     -0.20368751      2.22846968
  H      4.06087487      0.81391895     -1.72501873
  O      1.82763869      7.21196333     -1.95640330
  H      4.33207579     -1.38578433      3.17613271
  H     -1.12008319      6.17756420     -0.02464342
  O     -0.84510272      6.62789272     -1.86902405
  H      2.20800969      6.77715348      1.34893364
  H     -0.27770715      6.15235597      1.26875972
  O      1.58893767      4.29890337     -0.35797621
  H      1.88559018      5.72374622      2.46034665
  H      1.86048046      1.86799251     -3.18571594
  O     -0.48938690      3.80957587     -2.07630349
  H      4.04866922      8.36511280      0.52832679
  H      0.81090977      3.00799529     -3.19404702
  O      2.35110231      0.13170676     -2.43446776
  H      4.13965824      6.83476500      0.32237078
  H      5.32576227      2.87530766     -1.68152056
  O      0.39365927     -0.43972052     -0.48167741
  H      2.36566222      7.46739531     -1.19859795
  H      6.46249038      3.64983052     -2.38632851
  O      2.45973277      4.57800271      3.82426138
  H      2.30710522      6.48190559     -2.37396606
  H      4.03033020      4.55860628     -2.49118075
  O     -1.70069166      3.42822557      1.82706092
  H     -1.31355395      7.31585892     -2.33425948
  H      2.66086639      4.12473688     -3.08711607
  O      4.61582937      1.33742216     -1.13814704
  H      0.09847146      6.86532235     -1.90522471
  H      3.97201870      2.99757349      1.71611263
  O     -1.14245286      5.91793228      0.90392052
  H      1.53132469      4.98705795      0.31534578
  H      4.03529255      3.88576962      2.95876385
  O      1.65804604      2.72871741     -3.56812324
  H      2.18377117      4.59954802     -1.05905536
  H      5.58277196      1.83505527      1.87563149
  O      5.63774771      3.76406164     -1.92100016
  H      0.20268023      3.90282598     -1.39984746
  H      5.59167389      1.00182727      0.57413748
  O      3.12663111      4.85337489     -2.64747574
  H     -0.80938472      4.70836942     -2.20689898
  H      2.22861496     -0.18830775      2.32118670
  O      4.59316907      3.48068812      2.28502442
  H      1.71867604     -0.06293092     -1.72578903
  H      1.05193333     -0.12365954      1.29185288
  O      5.77263860      0.95673454      1.52065845
  H      2.26879285     -0.57679545     -3.06978123
  H     -1.38109093      2.22935610      0.41711480
  O      1.39029905      0.25400303      2.11199527
  H     -0.18802974      0.34374867     -0.45465240
  H     -1.07865318      2.38782350     -1.08089485
  O     -1.17416652      1.72801204     -0.38082467
  H     -0.17985456     -1.19937436     -0.54789900
  H      0.82241335      1.78196732      3.01065298
  O      0.61384186      2.68074945      3.29669729
  H      1.80642780      3.87185092      3.66257403
  H     -0.18723537      2.93789658      2.82401894
          69
 Energy    -248.21335867960599     
  O     -7.65233319     -3.04977325      6.20147590
  H     -8.26824404     -2.30391565      6.22554790
  H     -4.25806592      0.57613703      2.30972641
  O     -9.60735535     -1.93996601      1.95734505
  H     -6.79802842     -2.71085251      6.49249589
  H     -7.22292607      0.21860957      3.33886665
  O     -8.21960438     -3.83943201      3.66465760
  H     -9.91723223     -1.14237837      2.40174301
  H     -6.49916233     -1.11515416      3.66404711
  O     -5.40124166      0.53513551      0.86569328
  H     -9.22390741     -2.51702440      2.62774432
  H     -4.49620491     -2.37847902      7.57656670
  O     -6.08384233      0.63219931      6.47688590
  H     -8.02837188     -3.62569433      4.59492928
  H     -4.59179601     -1.87560207      6.11745282
  O     -5.40484515      5.05348320      1.59850077
  H     -8.57326440     -4.72520037      3.65480945
  H     -0.99190122      2.90241961      2.05268307
  O     -9.17159882     -0.75982009      5.67001621
  H     -6.29644398      0.78111161      1.14235743
  H     -2.33579272      3.40259670      2.63620005
  O     -3.87252874     -1.72593862      4.54204986
  H     -5.45781826     -0.34968762      0.48769418
  H     -8.67497995      3.26525729      4.20370885
  O     -4.16726179      3.00144508      0.31722340
  H     -5.68988060     -0.15324389      6.87381976
  H     -9.20313666      2.56228423      5.46821962
  O    -10.16604179      0.50214503      3.35142406
  H     -6.33550425      0.35285807      5.58006496
  H     -5.80915246     -2.52444730      1.85135825
  O     -5.78594967     -2.12604627      0.03285531
  H     -5.54198355      5.79028978      1.00946401
  H     -6.63162027     -3.16766468      3.01104165
  O     -3.64141276      0.68461338      3.04769012
  H     -5.00239153      4.34077412      1.06989161
  H     -9.01660117     -1.51432798     -1.09996068
  O     -6.93199325     -0.35019341      4.06145300
  H     -9.14020684      0.00658955      6.25607438
  H     -8.88144957     -1.93208421      0.37536197
  O     -5.07430263     -1.93356111      6.96269535
  H     -8.40435941     -0.67337346      5.07983022
  H     -7.65339455      1.35473622      6.96311291
  O     -1.92423120      2.70852774      2.09009904
  H     -3.67098518     -0.89017132      4.10233814
  H     -8.66011061      1.97757925      7.95799063
  O     -9.46658591      2.87220483      4.59348256
  H     -4.44165730     -2.20682273      3.92494982
  H     -3.84071830      3.92013787      4.15448671
  O     -5.84896937     -2.63819364      2.80858280
  H     -4.60784518      2.14252114      0.36876657
  H     -4.02368427      4.86332834      2.95150855
  O     -8.41712218     -1.91981657     -0.47963911
  H     -3.31892892      2.88928532      0.76336035
  H     -4.46007588      1.83384449      4.20105179
  O     -8.57495399      1.64507846      7.06792221
  H    -10.03993517     -0.04177820      4.14047089
  H     -5.18161387      1.98275668      5.55861990
  O     -3.35861380      4.50241642      3.55080787
  H    -10.08572055      1.41000394      3.68350354
  H     -7.60236272      2.11968930      2.37991047
  O     -4.86986691      2.48108385      4.79450907
  H     -6.73027144     -2.06930524     -0.20145102
  H     -8.69766925      1.01475640      2.25786977
  O     -7.81446010      1.27036685      1.96379122
  H     -5.36107270     -2.64554411     -0.64417328
  H     -6.57954929      4.15640023      2.72756137
  O     -7.00683899      3.53790060      3.33302918
  H     -2.93034932      1.25645959      2.73175786
  H     -6.30454783      3.18214044      3.89582143
          69
 Energy    -248.21329940683455     
  O     13.43502684     13.26947214    -11.52460942
  H     14.11066048     13.79733036    -11.07555993
  H     12.41417273     11.41013928    -14.13026394
  O     14.62502376     11.18705083    -17.72124010
  H     13.20551260     12.54346927    -10.92958691
  H     14.90432162     13.59399729    -15.79141595
  O     15.69567680      8.08005393    -12.19482416
  H     14.58691457     11.43564096    -18.64088647
  H     13.39854150     13.41584923    -15.50005664
  O     17.38923421     14.45532817    -12.25210774
  H     14.39240699     11.98037578    -17.20631050
  H     12.57598690     13.38477514    -13.12375786
  O     13.58595719      9.12254421    -16.16473197
  H     14.83195298      8.44826654    -11.96792818
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  H     18.53788626     11.52498303    -12.18607878
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  H     19.04417159     12.15906229    -13.49863718
  O     15.17681657     11.75514135    -13.16901167
  H     18.06208710     13.75808644    -12.23511859
  H     12.76916947     11.02240909     -8.90580247
  O     13.06087440      9.02590362    -11.72610410
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  H     14.13476371     11.19588943     -9.61478658
  O     15.92551067      8.18284609    -14.98521953
  H     14.40156994      8.79813796    -15.75174552
  H     16.28329733     10.63149869    -16.89402400
  O     18.76409555     12.17479943    -15.41363175
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  H     16.77323690      9.55339965    -15.90046127
  O     12.76568068     10.52697329    -13.97121218
  H     14.00249037      5.68086870    -12.59209216
  H     12.84022395      7.40882415    -15.81924070
  O     14.05934397     13.34830969    -16.19678413
  H     15.42013443      4.81935278    -16.14029260
  H     12.47724000      6.55570344    -14.57622110
  O     12.16216180     13.29422183    -13.99803767
  H     14.33432036      5.76125332    -15.56235322
  H     15.87413519     12.60139299     -9.68522889
  O     19.05187067     12.26340620    -12.53915340
  H     14.71281816     12.31213713    -12.53079233
  H     16.35650471     11.20488780    -10.15982637
  O     13.18230377     11.04538254     -9.76493895
  H     14.48885198     11.22204583    -13.58408919
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  H     12.89083950      9.55304343    -12.52295849
  H     16.49835482     10.91804692    -12.24831466
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  H     11.49364322      6.23429168    -12.20751797
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  H     15.86396050      7.24765113    -15.21876067
  H     12.48764674      7.41368054    -12.27260528
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  H     15.90881087      8.22727092    -14.01994946
  H     15.79168351     15.16449589     -9.67227213
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  H     12.92741481     10.08560021    -14.81685999
  H     16.03861185     12.94374214    -14.24670744
          69
 Energy    -248.21323608435125     
  O     13.99044534     11.16861371     -8.76707950
  H     14.08396984     11.14471964     -7.81877574
  H     17.06156541     13.98751982    -17.48622068
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  H     11.12323334     12.36578999    -14.83554793
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  H     11.28611795     11.91427133    -16.31020439
  H     11.80617166     14.69579503    -15.24559537
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  H     12.23114352     14.28655049    -16.66843418
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  H     14.24078046      9.67378351     -9.90343545
  H     15.44661832     12.30411904    -12.86350904
  O     15.01268795     15.48762504    -10.63404822
  H     12.53185432     11.56849738     -9.84443282
  H     14.05104178     13.01505082    -12.74767374
  O      9.81707516      9.86831843    -13.71619347
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  H     17.34096839     11.01217295    -14.80496881
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  H     12.86746521      9.84366229    -13.20586370
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  O     14.42034879     11.65656905    -17.37990653
  H     11.41994852      9.55423314    -12.76704863
  H     11.75093312     12.74880837    -18.74049817
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  H     17.33139194      8.41375487    -11.47409966
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  H      9.17130490      9.30734848    -14.13815592
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  H     14.11605699     14.85425716    -15.41921940
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  H     10.18707458     12.10144317    -11.38111801
  O     17.05051403     11.87018764    -12.09295918
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  H     15.98025937     15.36701530    -13.72340287
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  H     10.29256405     13.39699747    -13.22378057
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  O     15.80361766     12.88018378     -9.79956370
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  H     16.34202926     12.57297867    -10.54155013
          69
 Energy    -248.21316199813589     
  O     17.40007093      7.92042058    -16.39330860
  H     16.58014222      7.66773978    -15.93820720
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  H     14.97416182     12.88007109    -16.92466143
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  H     11.90608111      8.43961128    -11.79411900
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          69
 Energy    -248.21300066123078     
  O     -5.79428875      3.18806984     -1.98459886
  H     -6.56158416      3.69598005     -2.23152938
  H     -4.83576052     -0.45422094      1.71664903
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  H     -0.47013759      2.98461839      1.68633544
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  H      0.43787485      3.40726092     -0.45882033
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  H      1.07172386      4.27872335      0.65685789
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  H     -5.90000053      1.61634242      0.91019372
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  O     -3.26722365     -2.53267542     -0.57892614
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  H      3.37682756     -0.21082887      2.38702721
  O     -1.46488579     -2.00979134     -2.50714121
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  O      2.73807818      4.39780008      1.49009633
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          69
 Energy    -248.21295001685371     
  O     -5.85705034      0.40761909     -0.46515514
  H     -5.36961518      1.23034242     -0.61416090
  H     -1.40370454     -1.99950400      4.28091316
  O     -5.09063936      0.98086486     -4.90343512
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  H     -5.63754637      0.49404849     -4.26067163
  H     -4.28564315      3.43239250     -0.22355197
  O      0.02162028     -1.35019901      1.53976969
  H     -5.64887721      1.17040788     -5.65269369
  H      0.01146333      1.41194664      2.69829024
  O     -1.45020524     -1.01640654     -0.86592184
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  H      0.80191588      1.90122111      1.47425039
  O     -3.11294504     -1.13087078     -4.67475194
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  H     -0.88650876      6.15615368     -0.37375901
  O     -4.10102174     -1.77748814     -0.52851614
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  H      0.43256942     -0.48737638      1.69687080
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  O     -1.92894517      1.29293191      3.12459228
  H     -3.76117513      2.57435746     -2.44752379
  H     -2.91312039      4.99991428      0.55129534
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  H     -6.39112435     -0.17481953     -2.15817117
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  H     -4.13047895      3.39820693      2.30401345
  O     -4.33515381      2.65174207      2.87523376
  H      1.44160677      1.96956488     -3.20418695
  H     -2.06854167      3.80528311     -3.14958224
  O     -1.29565167      4.31990765     -2.87669657
  H     -1.10287897     -1.52932791      2.83782468
  H     -0.54490019      3.72077801     -2.96379677
          69
 Energy    -248.21273305994060     
  O     12.83138193     12.73668827    -12.99074045
  H     12.57207407     13.64489841    -12.85590861
  H     19.24597537     11.19695841    -16.99300816
  O     15.98261241     10.33382259    -11.26638794
  H     13.62402635     12.75296808    -13.55295144
  H     13.14754967      9.68828401    -17.15491462
  O     11.42885942     10.79869014    -14.62979618
  H     16.13621738      9.39652366    -11.08236904
  H     12.17817003     10.53081193    -16.26850291
  O     13.68516754      8.14476740    -14.36560192
  H     16.83187339     10.79768941    -11.29372876
  H     16.46687217      9.56135828    -14.30350330
  O     14.35152129      6.14180531    -12.61305378
  H     11.26672275     10.09607317    -13.98871355
  H     15.77723198     10.12422758    -13.02596956
  O     18.41902717      7.21728747    -12.56762412
  H     11.81942105     11.51869966    -14.12115546
  H     13.60380712     11.90638418    -17.31918494
  O     15.00425047     12.56446891    -14.66873587
  H     12.89608522      8.40758694    -13.87575731
  H     13.92250245     13.25669479    -18.01016332
  O     16.85993336      6.64716951    -16.47368645
  H     14.35219425      8.83328595    -14.21594108
  H     13.44018495      9.09626807     -9.94984630
  O     16.11923996      7.58905548    -10.97153264
  H     14.13995843      6.79621568    -13.29739619
  H     14.53918030      8.01688909     -9.84421618
  O     16.21274820     10.59422947    -17.49298630
  H     13.55231468      6.04519544    -12.08323250
  H     18.34869467      9.43141624    -15.36033643
  O     16.66364105      5.45447674    -14.04465002
  H     19.34334853      7.20799240    -12.33146431
  H     17.65709236      8.03737474    -15.51468955
  O     18.60044942     10.95164164    -16.33605962
  H     18.33516795      7.80531458    -13.33683845
  H     18.14119875     12.16163617    -14.91649882
  O     12.65146589     10.51217880    -17.11427121
  H     15.20986694     11.62560885    -14.53543042
  H     16.87791634     12.82312735    -14.33364777
  O     15.65999323      9.97479698    -13.97465187
  H     14.75656114     12.67487173    -15.59575509
  H     18.88238303     12.29997013    -11.20350191
  O     14.25207574     12.63517252    -17.36808016
  H     17.25980457      6.04869101    -17.09953996
  H     18.18345776     12.07439079    -12.55441717
  O     13.62236932      8.20943328     -9.61326395
  H     16.73075990      6.14377806    -15.64947845
  H     13.02933346     11.40713625    -11.66235015
  O     17.99511769      8.67613982    -14.87207086
  H     16.98379167      7.43776395    -11.37368103
  H     14.22761956     10.59722770    -11.13711277
  O     17.82165712     12.69249909    -14.17734783
  H     15.49276500      7.08768354    -11.51347933
  H     11.59200453      8.00887835    -12.10374759
  O     18.31598602     11.69129397    -11.67047969
  H     15.65701198      9.82260226    -17.32379480
  H     12.18279291      9.43955160    -12.05810500
  O     13.25845836     10.62582947    -11.14405777
  H     15.61176886     11.34544467    -17.56338745
  H     11.46488979      5.96325088    -10.44166371
  O     11.64967726      8.83513706    -12.59655956
  H     17.32796398      5.87479751    -13.48604375
  H     12.55667787      7.06025328    -10.40366668
  O     12.03572036      6.48815498    -10.99606747
  H     15.83354149      5.50931066    -13.55211151
  H     14.16746025      8.20030291    -16.08037609
  O     14.59034415      8.32200925    -16.94438834
  H     17.74876395     10.84464349    -16.80090999
  H     15.31314429      7.68359768    -16.95270569
          69
 Energy    -248.21272057577812     
  O     10.48925232      9.42915914    -10.57539688
  H     11.27653714      8.99865042    -10.92783509
  H     13.40287473     13.49507506    -14.58036167
  O     14.93485591      9.01558599    -17.56382123
  H     10.18441509     10.04069659    -11.25689629
  H     16.88874917      9.43244373    -11.08475379
  O     15.37652709      8.62999094    -14.82004443
  H     15.47110302      8.95930556    -18.35017398
  H     18.05757357      9.64121143    -10.09397723
  O     12.49548110     12.57325819     -8.93241624
  H     14.47705867      9.87460374    -17.59811113
  H     15.05425573      8.19531919    -11.79133976
  O     13.44657907     11.29998272    -17.61033500
  H     14.44299053      8.51742611    -14.58586741
  H     15.94858801      8.32756400    -13.03488027
  O     12.66984361      8.42101372    -14.14673686
  H     15.39827915      8.68758636    -15.78354928
  H     11.90037627     12.96823511    -10.58549828
  O     13.72589830      9.07253288     -8.76042694
  H     13.41883065     12.30163037     -8.97558620
  H     10.96222158     12.57069295    -11.77877180
  O     13.68401894     11.10619479    -12.02097928
  H     12.01817479     11.82637530     -8.54698828
  H     13.31599197      8.50730778    -10.43413971
  O     11.20654732     10.20110337     -8.07649499
  H     13.46972974     11.94330364    -16.88960710
  H     13.28934390      9.44006262    -11.66718284
  O     15.73887462     13.97943649    -11.06421967
  H     12.53201155     10.99816726    -17.66305558
  H     17.56980210     11.49690132    -11.82499650
  O      9.77481916     11.31854591    -12.56882231
  H     12.25197309      9.28578395    -14.26409514
  H     17.01792589     12.91935568    -12.05738749
  O     13.41953374     12.73905817    -15.18257763
  H     12.71088028      8.24875790    -13.19834969
  H     12.07663544     11.57270191    -14.84288155
  O     17.34053426     10.09382392    -10.53014596
  H     12.89924860      9.39442569     -8.37623180
  H     11.09206889     10.64420092    -15.61071406
  O     15.96716756      8.32568770    -12.06919425
  H     14.27450114      9.85393976     -8.88476324
  H     15.57623374     10.39502804    -14.39631564
  O     11.75167843     13.06782920    -11.53835593
  H     13.03342439     11.81876814    -11.98874069
  H     16.26799596     11.61150408    -13.67357634
  O     13.12124348      8.52439808    -11.38308519
  H     14.27921192     11.24680358    -12.76893629
  H     10.14929028      9.91600110    -17.96422306
  O     17.47269867     12.18728859    -12.49269118
  H     10.85890104      9.92648012     -8.94415961
  H     11.32970161      9.20412561    -17.25752827
  O     11.39614484     10.89297631    -14.72798167
  H     10.54759812      9.97025700     -7.42759948
  H     15.94108016     11.08000083     -9.84773030
  O     15.47209138     11.31918535    -14.13944934
  H     15.50036010     13.23073988    -10.49922412
  H     14.57181613     11.35286280    -10.51448014
  O     10.85848069     10.05286095    -17.34260097
  H     15.89430080     14.71818127    -10.47830002
  H     14.36511875     14.39981716    -12.49897091
  O     15.09622070     11.53191275     -9.71547517
  H     10.31009729     11.16026698    -13.36524471
  H     12.84946700     14.17384051    -12.51788283
  O     13.58578992     14.50084506    -13.05497359
  H      8.89357760     11.53135635    -12.86610020
  H     12.43272157      7.82720185    -15.94000627
  O     12.38488222      7.85366550    -16.90523608
  H     14.21729715     12.24490984    -14.93535146
  H     13.27223121      8.08659289    -17.20652714
          69
 Energy    -248.21267950017369     
  O     14.10071789      9.57360702     -8.57271107
  H     13.80839161     10.06973447     -9.34984193
  H     18.06977256      3.58129930    -13.54491933
  O     13.78445646      8.77918726    -16.69309132
  H     15.06045563      9.66700590     -8.56156472
  H     12.91949711      7.30490622    -10.35203840
  O     15.57248730     11.89371877    -13.86448873
  H     14.17547852      7.93346748    -16.41419099
  H     13.53142573      7.92665136     -9.07666701
  O     15.22390455      5.31917344     -8.91655527
  H     13.22795499      8.58905507    -17.44514273
  H     17.98496829      5.13650474    -16.06931762
  O     16.96571788      9.81097230     -8.90387206
  H     15.82544749     11.38343311    -14.64167707
  H     18.42395015      6.58671379    -15.77889274
  O     17.05479269      8.02467584    -12.72748191
  H     15.99719240     11.48154911    -13.09977355
  H     13.85180201     12.05246794    -13.66090335
  O     13.66240971     10.62159660    -11.13827731
  H     14.96046302      4.82827808     -8.14328181
  H     12.57617087     12.92459265    -13.55367961
  O     18.41325848      5.97135456    -11.45396918
  H     14.49299219      5.93160142     -9.12272457
  H     12.26427719     10.37561719    -14.18324948
  O     17.44075501      8.13671290    -15.43525790
  H     17.15308096      8.85623277     -8.95387289
  H     12.61934685      9.27795650    -15.20547510
  O     16.32872905      4.09040423    -16.09335041
  H     17.53428370     10.16509887     -8.22522432
  H     12.31413543      8.49613122    -12.92626164
  O     15.15278516      6.59037674    -15.79765112
  H     16.19587826      7.57931738    -12.77231383
  H     13.04061937      8.97463565    -11.66439411
  O     17.15759621      3.28625305    -13.65181565
  H     17.65021584      7.41759557    -12.26921243
  H     15.44327183      5.25899303    -12.03224361
  O     13.29653226      7.08387829     -9.49444546
  H     13.28567581     11.18094546    -11.82657576
  H     15.68165268      4.72009591    -10.59633510
  O     18.74678650      5.67711585    -15.82886236
  H     14.61481110     10.57525374    -11.30785699
  H     17.93980912      6.77113212     -9.80281316
  O     12.89351165     12.02809539    -13.48656243
  H     18.99902903      5.53938342    -12.08683715
  H     16.68838440      6.54252171     -8.93415416
  O     12.05077655      9.47233613    -14.45350546
  H     17.59422674      5.45209065    -11.44581516
  H     20.60346402      4.24977019    -13.66873306
  O     12.69610811      8.17959823    -12.09546162
  H     17.40377666      8.16871497    -14.46642767
  H     19.45676289      5.02073374    -14.36384912
  O     15.96294046      4.62505828    -11.51498157
  H     17.12026889      8.98507275    -15.76129218
  H     13.96888517      7.10989438    -12.69950533
  O     17.42675503      7.14748243     -9.07714584
  H     16.19628747      3.32634647    -16.64785668
  H     14.69513803      6.53733890    -13.97140161
  O     19.72657819      4.59729517    -13.52969008
  H     16.56493862      3.75558100    -15.20893824
  H     16.67973537      9.61821493    -12.00186637
  O     14.71778927      6.58009473    -13.00861916
  H     15.96864786      7.10369663    -15.69366631
  H     16.67407360     10.37201096    -10.65610530
  O     16.42400218     10.45405970    -11.58556065
  H     15.42654607      5.67949717    -15.96604096
  H     16.17728521     10.96538620    -17.06724191
  O     16.01765558     10.41935849    -16.30004731
  H     16.68187430      3.60182229    -12.87112142
  H     15.19723812      9.93004104    -16.46994776
          69
 Energy    -248.21259685182002     
  O     -2.94099096     -3.04449218     -0.72575114
  H     -3.23278134     -3.80892833     -1.21730897
  H      0.76153947     -0.14641878      3.81499906
  O     -2.05976586     -0.04603693      2.19442265
  H     -2.24390724     -2.62154176     -1.25298472
  H     -4.20464487     -2.54126145      3.88700064
  O     -5.61841104     -1.57073312      3.03785193
  H     -1.95764621     -0.99552455      2.05543937
  H     -2.82318329     -2.92613716      3.32823562
  O      1.64186243     -3.04586636      5.96399544
  H     -1.20074596      0.32337025      2.42829367
  H     -2.07495250      2.07319252      5.14819525
  O      0.83772804     -2.94980599      2.30200240
  H     -5.24687630     -0.71430210      3.31629646
  H     -2.19830084      0.65616656      5.77212051
  O     -1.68240215     -1.15022896      5.65660637
  H     -6.54169545     -1.55795363      3.27813726
  H     -0.11725771     -1.84208895     -1.38432745
  O     -4.99264905     -1.17282965      0.20021383
  H      1.52212091     -2.25818057      5.41494284
  H     -0.39925615     -2.06421158     -2.89059559
  O     -1.09383804      0.95083227     -1.46614784
  H      1.52882758     -3.79594964      5.36756105
  H      1.73345607      1.78107377     -0.35296232
  O      1.07189977     -1.62447219     -0.16408785
  H      0.84192837     -2.23665720      2.95903759
  H      0.29466672      1.22318866     -0.46175081
  O      0.35225546      1.27342440      2.79300361
  H      0.91396430     -3.77290477      2.80087328
  H     -3.63519803      2.56205714      1.29253929
  O     -1.88293921     -2.79715195      1.84490162
  H     -1.39831120     -1.70142372      6.39698798
  H     -4.11384482      2.34419030      2.72719935
  O      0.72440656     -1.00340508      4.26010898
  H     -2.31747356     -1.67257542      5.14776968
  H     -0.09005144     -5.00900445      4.52021178
  O     -3.33907879     -2.87402766      4.14830977
  H     -4.36507142     -1.84147653     -0.09688534
  H      1.00645842     -6.01986846      4.11087421
  O     -2.61812202      1.52717104      5.72709030
  H     -5.21406059     -1.39150437      1.11302034
  H     -3.51261884      0.41579661      3.17301877
  O     -0.82345395     -1.88100651     -2.05618848
  H     -1.10569190      0.03863765     -1.77511445
  H     -3.89959020      0.99707411      4.54458997
  O      1.08405360      1.25663309      0.10844909
  H     -1.95176751      1.10082985     -1.04333706
  H     -2.17729810      3.22107046      3.08631113
  O     -3.66478997      2.98510729      2.16029843
  H      1.11494330     -2.10812732      0.67082812
  H     -1.29762912      4.17240068      3.92524205
  O      0.78806730     -5.09186647      4.10644483
  H      1.19836104     -0.69000233      0.03732227
  H     -2.29831185     -4.19952713      4.99290997
  O     -4.27542307      0.68240796      3.71075055
  H      0.64385000      1.38456856      1.87840988
  H     -1.34971863     -4.24233833      6.20483085
  O     -1.38449006      3.26339469      3.64916648
  H     -0.15000653      2.05511151      3.06172765
  H     -0.45321963     -3.05104706      8.42659772
  O     -1.58176399     -4.70944070      5.39242280
  H     -0.92933262     -2.94584365      1.89273355
  H      0.25684550     -3.02563023      7.05014771
  O     -0.61327905     -3.01131390      7.48797710
  H     -2.19515712     -2.98395632      0.95189491
  H     -4.09512155      0.44261415     -0.03243062
  O     -3.39330008      1.10010062      0.06585188
  H     -0.12678080     -1.03758167      4.72051770
  H     -2.84419923      0.75296610      0.78678739
          69
 Energy    -248.21255589878371     
  O     20.64679447     12.07220939    -18.80064672
  H     21.11662717     11.57941498    -19.46819571
  H     20.55788176     16.59402719    -18.19342694
  O     17.44686589     18.49402371    -14.77541587
  H     21.29749244     12.65359995    -18.36798417
  H     14.64134274     13.28915145    -13.99746462
  O     15.77829701     14.65654973    -13.85376354
  H     18.36470674     18.31917792    -14.53074620
  H     13.28742595     12.60687069    -13.70028280
  O     16.80960348     12.78208629    -17.72607398
  H     17.37738947     18.33689360    -15.72777059
  H     22.72258142     14.98048434    -14.75894846
  O     16.47472141     11.07686976    -13.07478985
  H     16.57888296     14.21729822    -13.53040421
  H     23.51699791     13.81546731    -14.12966786
  O     14.95356395     11.17245520    -16.50441383
  H     15.77068744     15.54498020    -13.47419571
  H     18.77802444     13.18437011    -13.39134940
  O     22.31811172     13.79131643    -17.55406543
  H     17.58000976     12.35925715    -17.32495347
  H     17.52908133     12.50142860    -12.77375633
  O     22.46935907     16.76570809    -15.12923679
  H     16.04706508     12.25549319    -17.44613393
  H     17.45076467      8.77704771    -15.60394105
  O     16.10664451     17.21281919    -12.82153502
  H     15.60767629     11.42466732    -13.31725681
  H     17.88989902     10.22995569    -15.89022141
  O     20.08590921     13.09752920    -14.69120774
  H     16.75277978     10.53137619    -13.82092832
  H     16.80022189     16.88888953    -17.22504797
  O     18.65611093     14.07346464    -19.41425799
  H     14.58154571     11.60284945    -15.72437702
  H     17.89640496     17.48961759    -18.11917099
  O     21.01240773     16.27568596    -17.40487327
  H     15.61023524     10.54887887    -16.16939702
  H     20.81473205     17.20970380    -14.09700108
  O     14.15245908     12.45243506    -14.07137607
  H     22.58429523     13.71524066    -16.63168910
  H     19.59341459     16.89576635    -13.15225786
  O     22.78055478     14.01364601    -14.70356934
  H     21.92183998     14.66982249    -17.63699834
  H     18.44417359     15.04243029    -12.12031930
  O     18.01447348     13.33865527    -12.82066575
  H     23.09199090     17.48536836    -15.20201272
  H     17.74169263     16.41455983    -12.10508510
  O     17.20019775      9.68811978    -15.47249319
  H     22.00776157     16.70984780    -15.98432838
  H     19.59607798     11.51259074    -17.38065782
  O     17.24810488     17.71853188    -17.44572887
  H     15.57752832     17.83745444    -12.33355027
  H     19.42783027     11.93776955    -15.89581589
  O     19.88230942     17.38163499    -13.94267003
  H     16.52761557     17.70989418    -13.54722528
  H     19.18899110     16.10940497    -15.07775755
  O     18.59873128     15.98654524    -11.98514481
  H     21.02517778     13.27918391    -14.58440982
  H     18.15749746     15.39625352    -16.01808836
  O     19.03179133     11.40958893    -16.60405813
  H     19.69945791     13.89985299    -15.08178659
  H     19.06466564     17.07307651    -20.32634493
  O     19.07078704     15.38480819    -15.70657124
  H     17.88645719     13.68399397    -18.97938904
  H     18.95657308     15.79578484    -19.46304806
  O     19.17712308     16.74469033    -19.43828577
  H     19.35943984     13.42190192    -19.31576377
  H     16.08766765     15.04092078    -15.62123053
  O     16.41818056     15.22454679    -16.51001865
  H     20.30746540     15.91189756    -16.84432933
  H     16.47403381     14.37936895    -16.97680009
          69
 Energy    -248.21248423206242     
  O     13.38731522     11.83708492    -15.69630261
  H     14.30513910     12.12266076    -15.65417205
  H     13.55050876      6.09403318    -16.01673447
  O     15.11673187      6.67325718    -13.35209571
  H     13.38016373     11.05121673    -16.26314543
  H     19.20407213      6.84279621    -14.54416023
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  H     15.93048813      6.61805780    -12.83695115
  H     20.42290410      6.34462246    -13.73057232
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  H     15.19534316      7.46898979    -13.90308937
  H     16.18170713      9.14671210    -15.24441638
  O     12.03781195      7.18775111    -16.29509460
  H     16.72447705      9.61208061    -10.54327947
  H     14.65872331      9.08316538    -15.53693290
  O     15.26520321      9.66269315     -9.43114167
  H     16.73286890     10.12123569    -11.98404508
  H     12.34063112     11.51416883    -14.33761084
  O     13.13614290      7.68713993    -11.70161799
  H     17.27159303     10.86591809    -15.86699574
  H     10.98723431     11.84377616    -13.67006422
  O     15.51574226     10.97128157    -13.03814155
  H     18.23656963      9.92580804    -15.10506871
  H     16.75965343      5.97791495    -10.43427585
  O     16.40554094      6.13968172    -17.57612592
  H     11.21188663      6.85112818    -16.63211951
  H     16.66222438      4.68990933     -9.59984319
  O     14.07392324      7.04863071     -9.11622233
  H     11.84042955      7.60524818    -15.43630608
  H     11.57334740      9.37873537    -13.86171003
  O     18.52322856      7.22858976    -16.08715791
  H     14.58113208     10.11220761     -9.94327768
  H     11.99727256      8.08902248    -13.12636095
  O     14.38664523      5.64007424    -15.85486103
  H     14.89303381      8.80034382     -9.21152832
  H     19.39000673      8.69827276    -13.54611954
  O     19.57514146      6.77227680    -13.64584631
  H     13.32478932      7.40843581    -10.79768926
  H     18.58566344      9.71364340    -12.72316312
  O     15.32446493      8.93571221    -14.85345352
  H     13.81063572      7.27574802    -12.26208824
  H     17.39088955      7.81766285    -11.63652422
  O     11.74439312     11.26705607    -13.60875284
  H     14.77731637     10.94436716    -12.41618505
  H     18.21223795      6.73956438    -12.40276136
  O     16.27218242      5.55307080     -9.71008099
  H     15.37034013     10.23616464    -13.65472940
  H     16.18310659      7.94046735    -18.05055015
  O     11.58802109      8.41755011    -13.93738816
  H     16.44761436      5.42137887    -18.20169443
  H     16.70900588      9.33594370    -17.65646431
  O     19.05043021      9.60118123    -13.56184939
  H     15.67947602      5.93436792    -16.96056494
  H     12.70775903     10.84281898    -12.05422159
  O     17.45553788      6.86798364    -11.81781583
  H     14.84243341      6.47624554     -9.28425903
  H     13.27021906      9.51029203    -11.51077948
  O     16.03154063      8.88813980    -18.17159485
  H     13.67096751      6.73993426     -8.30883801
  H     16.03100032     12.00142415    -14.38759078
  O     13.33485238     10.47312593    -11.41940462
  H     18.35317389      8.17167033    -16.18777853
  H     16.59224070     13.24351938    -15.11880465
  O     16.24358386     12.36713505    -15.26463973
  H     17.83269608      6.77401314    -16.58603050
  H     13.04035921      8.63177294    -16.94293347
  O     13.59442658      9.41853211    -17.01166046
  H     14.61835870      5.82109063    -14.93406007
  H     14.36294005      9.21961885    -17.56759993
          69
 Energy    -248.21247844968059     
  O      0.75510513      0.07784258      3.32240784
  H      1.07624923      0.98194529      3.22626749
  H     -3.80179101      2.95649468      1.57572675
  O     -2.21206884     -1.05710938     -3.49820943
  H      1.19085305     -0.44185752      2.63009217
  H     -2.95507495      1.36417383      5.04582839
  O     -0.86309980     -0.81055687      5.40043068
  H     -1.40105177     -0.75233175     -3.05960509
  H     -2.67808013      2.08324935      6.38705821
  O     -3.98355043     -0.54007938     -1.34123016
  H     -2.10383989     -0.87740797     -4.42904983
  H     -0.00940196      1.78545595      0.01655131
  O     -2.00741394     -3.59202622     -2.06444672
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  H      1.22927623      2.05678937      0.86833753
  O     -0.08466122     -2.60274455     -0.34040819
  H     -1.30293372      0.01844773      5.61944205
  H     -1.31717562      0.65754162     -0.91897651
  O     -4.69919540     -2.02267739      3.93343585
  H     -3.90202421     -1.37751348     -0.85888377
  H     -2.81488505      0.66544158     -0.63802328
  O      1.43757689      2.73388431      2.59175355
  H     -3.54621131     -0.67159782     -2.19064958
  H     -1.82731015      0.43253738      1.31589485
  O     -0.07506392     -0.30674880     -1.88114848
  H     -2.72774610     -3.53230077     -1.42204243
  H     -0.93890577      0.12988498      2.57365508
  O     -5.50323048      2.23732625      2.02926282
  H     -2.15189873     -2.87194885     -2.68851199
  H     -4.64357491     -2.91979005      0.53682032
  O     -3.96115395      0.67774227      3.76853261
  H     -0.55976774     -2.69791450      0.49676503
  H     -3.10721657     -2.93383277      0.71398492
  O     -2.88401146      3.19028062      1.38900778
  H     -0.61165103     -3.08746016     -0.99232849
  H      1.57877373     -0.12982533      0.63456584
  O     -2.24993009      1.70521360      5.62281416
  H     -4.52141658     -1.07337302      3.97629239
  H      1.31637152     -1.65132642      0.54749643
  O      0.93380087      1.60446905      0.06504023
  H     -3.88972704     -2.45760846      4.22547279
  H     -1.71412126      3.26740837      2.78586001
  O     -1.98967405      1.10855231     -0.39161047
  H      2.06478255      3.35895421      2.94378129
  H     -1.41545467      2.77108925      4.22979717
  O     -1.81300113      0.00415873      2.17944782
  H      0.55671294      2.99791869      2.91890590
  H     -1.93086947     -3.77655971      5.28926367
  O     -3.81095312     -2.93639679      0.04909972
  H      0.59679662      0.29531895     -1.54791583
  H     -1.68431364     -2.28532968      4.96720126
  O      1.80548126     -0.97861646      1.03680780
  H     -0.03173481     -1.11084365     -1.33756194
  H     -1.82099679     -3.04588762      2.80095194
  O     -1.03410719      3.23044871      3.47437489
  H     -6.28495435      2.77738393      2.10656417
  H     -1.81099415     -1.74639506      1.98081058
  O     -2.14451084     -3.08894725      4.66440467
  H     -5.73352995      1.49074408      1.44685990
  H     -6.84074847     -3.03660867      1.86018887
  O     -1.74957176     -2.71106770      1.90040441
  H     -4.55105389      1.24207386      3.25437314
  H     -5.60043282     -2.36965236      2.50339448
  O     -6.07246096     -2.50812911      1.66203843
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  H     -5.42860616     -0.04257604     -0.26927089
  O     -6.01823474      0.09604508      0.48310888
  H     -2.61591954      2.62751220      0.65428275
  H     -6.12974171     -0.76869141      0.89693509
          69
 Energy    -248.21232534041673     
  O      2.45488098     -0.31344431      6.16023826
  H      2.06379008      0.51670681      5.85933749
  H      1.65373695      2.35805255      0.14678927
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  H      0.34249414      1.32061923      2.11124549
  O     -3.38506422     -1.99411974      7.75167678
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  H      0.16470427     -5.07572350      4.95101720
  H      4.17888876      0.10731845      1.46771817
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  H     -1.78405626      1.05315423      3.87983992
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  H     -4.32882867     -1.86765396      7.81133120
  H     -2.03504039      1.24851761      5.39050408
  O     -0.98403616     -0.71177251      8.34612612
  H     -3.17111660     -1.96540147      6.80553916
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  O     -2.17047623     -3.59977743      3.14930738
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  O      0.88058464     -4.35488619      6.52470101
  H      4.50879926      1.42466432      3.19323604
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  H      6.02750733      1.17372697      3.02653925
  H      0.19349567     -1.85721631      3.61383573
  O      0.00426825     -1.85157647      2.66048413
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  H     -0.75354225     -2.43605291      2.55049048
          69
 Energy    -248.21228080271439     
  O      1.74313290     -0.87228896      5.03780276
  H      0.86371715     -1.26724611      5.18089960
  H     -5.14020478     -0.46292733      3.49687359
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  H     -1.36017098      3.41270873      1.81093688
  O     -0.79565639     -1.81574133      5.15081996
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  O     -0.42014570      0.47015349     -1.07068651
  H      1.39789955     -1.51664130     -2.65783249
  H     -2.12692164      0.31527628      3.86507619
  O      1.11494735     -3.25019802     -1.81328217
  H     -0.96548797     -2.21911411      4.29240844
  H     -2.88271465      1.33886715      4.70371074
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  H      0.72321154      1.97191098      1.64406087
  O     -3.76541131      2.68373436      3.83036478
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  H      0.19717195      2.22248929      3.09346758
  O     -3.60677480     -3.15017298      2.19671498
  H     -0.76952755     -0.41141777     -0.88524691
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  H      2.62279341     -2.29341307      0.87930937
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  H     -1.02426194     -2.40159494      0.39107226
  O     -2.36697666      0.52250799      4.78249151
  H     -3.30428104      3.10780324      3.09758333
  H      0.78355903     -2.00409148      2.31145769
  O      0.01967240      2.39243009      2.15481372
  H     -3.90410091     -2.91677731      1.31153154
  H      1.83453479     -1.34302734      3.23678720
  O     -2.63172931      2.22045808     -0.76438015
  H     -4.02506896     -2.51958270      2.80339471
  H      2.46162499      0.63034494      0.15193134
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  H      0.90124404      0.85704984      4.88588007
  H      1.69272734     -0.04628846      1.31780168
  O     -1.15337419     -2.23900974     -0.55218153
  H     -0.56556498      1.32541309      4.97444070
  H     -1.87922109     -2.86273371      2.29877806
  O      1.65468797     -1.58488900      2.31935852
  H      4.40057382      0.40324279     -1.59933837
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  O      1.71383631      0.73849549      0.75190797
  H      2.97250155     -0.14749351     -1.83853817
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  H     -5.22476667      0.85923044      1.79539605
  H     -4.29873840     -2.62316174     -1.30897882
  O     -3.90579985     -2.18308653     -0.55927809
  H     -6.64563244      1.28538546      2.23870285
  H     -3.67647045      1.03623740     -0.02402731
  O     -4.08691433      0.37960074      0.56079720
  H     -3.93487450     -0.69386022      4.40444445
  H     -4.10571617     -0.47339126      0.11132649
          69
 Energy    -248.21221346225758     
  O     17.16918674      9.94938842    -11.19343945
  H     17.17715493     10.89878700    -11.02222095
  H     14.05517108     10.54464267     -8.89476548
  O     15.39300836      4.59464927     -7.62802873
  H     16.87628557      9.50542631    -10.38259806
  H     13.08534197      8.63548819     -7.69654559
  O     17.11596172     12.65049302    -10.49754718
  H     15.84329350      4.99627814     -8.39224778
  H     12.10539779      8.32729076     -6.54171018
  O     13.00321571      5.70063966     -8.74195592
  H     15.72214182      3.70333205     -7.55030106
  H     16.36474289      5.91169986    -10.64681955
  O     15.37852745      8.94953828    -12.98962243
  H     17.31273175     13.47740724    -10.92754588
  H     16.39124130      6.85084763     -9.42407949
  O     19.39571857      8.29186636    -11.40577743
  H     17.78366923     12.53020941     -9.79509488
  H     18.13441992      7.34493723    -14.23837046
  O     20.17882731      9.77596557     -9.02256190
  H     13.72559666      5.20033706     -8.34422453
  H     19.09455195      6.13243699    -14.21563849
  O     19.28208583      6.32908977     -9.38430153
  H     12.84427845      6.43978975     -8.14297827
  H     17.04152608     10.50567097     -6.38433135
  O     13.27415480      6.45498876    -11.38537623
  H     14.49824588      9.09753001    -12.62700137
  H     16.89153089     11.79947503     -5.55326442
  O     15.08556496     11.93397067     -8.60624386
  H     16.01209854      9.36077028    -12.38040579
  H     16.42125998      8.73270023    -14.44609489
  O     12.88423337      9.08755734    -11.65998699
  H     19.25244779      7.74941028    -12.19001452
  H     17.14855475      9.25719183    -15.69681649
  O     13.63913163      9.67453013     -9.00539441
  H     18.65331728      8.91355069    -11.38039602
  H     15.29279121      8.90021896     -8.99241450
  O     12.86153825      7.98357515     -7.01072714
  H     20.11322110      9.10366381     -8.33492375
  H     16.59506241      8.69052976     -8.15430034
  O     16.53319882      5.93110199     -9.69639782
  H     20.08700712      9.30989391     -9.86136553
  H     19.34251085     11.33042119     -8.67457452
  O     18.57600701      6.70367412    -13.65448168
  H     18.36534535      6.03669518     -9.46601031
  H     18.26821205     11.92887922     -7.72441689
  O     16.91064646     11.46718274     -6.44718629
  H     19.40536649      6.97188966    -10.09605441
  H     14.46638733      7.30320878     -6.24663279
  O     17.12545881      8.52793019    -15.08282775
  H     14.10277190      6.10695215    -11.72640998
  H     15.37985740      6.07946392     -6.43688126
  O     16.20183328      8.57556949     -9.02862704
  H     13.17250043      6.12550371    -10.47908142
  H     15.73194668      7.15497729    -12.57447488
  O     18.80653940     12.11920019     -8.50106130
  H     15.64557902     11.82518224     -7.82682192
  H     16.89579179      6.19003537    -12.81486117
  O     15.32194167      6.93438314     -5.99288307
  H     15.66911573     12.25633247     -9.30339035
  H     19.60470343      7.09953610     -7.87880927
  O     16.02976347      6.25177379    -12.39510658
  H     12.03578272      9.26200307    -12.05847504
  H     20.47535114      7.26749897     -6.60935539
  O     19.74874181      7.65423370     -7.09027586
  H     12.95763504      8.11835038    -11.56367225
  H     18.13721273      8.35874769     -6.58232788
  O     17.27139028      8.76985939     -6.46246154
  H     13.34904607      9.57527248     -9.92007900
  H     16.63337193      8.09321152     -6.18534389
          69
 Energy    -248.21217870398615     
  O    -11.96393345      7.78660917     -0.90593995
  H    -12.21469485      7.03342827     -0.35639650
  H    -11.24259667      7.14063579      3.25030229
  O     -5.82648028      9.22104700      2.39841641
  H    -11.54007773      7.43676607     -1.69999664
  H     -7.55274130      8.98023973      3.31078410
  O     -7.33375423      9.04078475     -1.38216138
  H     -5.20644132      9.62401349      3.00319000
  H     -8.73839079      8.13278821      3.84571150
  O     -6.14103145     11.02941491      0.28044042
  H     -5.94217352      9.84827978      1.66792915
  H    -13.29166741     10.34472807      3.10771574
  O     -6.43059371      6.35411029     -1.35559075
  H     -6.78270511      9.69987048     -0.94789888
  H    -12.43617501      9.15124421      2.62285752
  O    -10.51072210      3.89278887      0.64968106
  H     -8.15697340      9.01398174     -0.86806068
  H     -9.28747146      6.50261353      2.70799121
  O     -9.62757682      8.95659453      0.17127389
  H     -5.51051361     11.67209345     -0.03394789
  H     -9.46281895      5.46119876      3.79672791
  O    -10.43424950      6.90766834     -3.08048088
  H     -7.01357679     11.46496166      0.26581587
  H    -13.39958004      5.09788290      0.71859359
  O     -8.70832207      6.61785094      1.08217291
  H     -6.05896539      6.32387019     -0.46609922
  H    -11.85892585      4.98406656      0.73336507
  O     -9.39889433      9.41168031     -3.21232037
  H     -6.68926477      7.27804449     -1.48199832
  H    -11.30316944     11.24956523     -1.28443615
  O    -12.57280449     10.43908553     -0.37001601
  H     -9.96775796      3.79447044      1.44129039
  H    -10.96813877     12.37379555     -2.28607359
  O    -12.04727367      7.47973904      2.83844881
  H     -9.92347835      4.14207992     -0.07648464
  H     -6.96843122      6.57374527      1.33716910
  O     -8.42904063      9.03658414      3.70779656
  H    -10.48350470      8.66120168     -0.16319476
  H     -5.77250576      7.41224558      1.81689091
  O    -12.62091477     10.09710960      2.47716196
  H     -9.77565850      9.63501698      0.84097328
  H     -9.06453747     11.83664502      1.01331536
  O     -9.55902108      6.40444050      3.63683157
  H    -10.05356923      7.79842413     -3.18511820
  H     -9.20751856     11.99832210     -0.51412723
  O    -12.59931299      5.61547129      0.75510532
  H    -10.67961605      6.61258466     -3.95369412
  H     -6.14071059      4.88133163      2.17909598
  O    -10.58510527     11.63790568     -1.81432704
  H     -9.01980226      7.50194172      0.84061076
  H     -5.70876873      3.41480156      2.05219434
  O     -6.00877887      6.53869633      1.48743145
  H     -8.85940893      6.05615060      0.31278034
  H     -9.06892408      2.81285214      3.62246144
  O     -8.59573604     12.13332019      0.21929007
  H     -9.83439223     10.16841266     -2.80119015
  H     -8.06085502      3.73215411      2.90294289
  O     -6.35584609      3.98014854      2.46753748
  H     -8.54565654      9.33136955     -2.76379211
  H     -9.42300379     10.24168255      2.86041121
  O     -9.00319566      3.61722036      3.11348028
  H    -12.54820275      9.51151633     -0.64519323
  H    -10.86065523     10.68159280      2.43203784
  O     -9.92149965     10.81336465      2.25560212
  H    -12.66670029     10.42015342      0.58965733
  H     -8.01558609      5.47430067     -1.41805569
  O     -8.94005777      5.20059913     -1.30983013
  H    -12.29234843      6.82864525      2.17055045
  H     -9.45488059      5.72161761     -1.93746579
          69
 Ord_Energy   -248.212173    
 O   -4.84342957      0.742241561      -1.34597361    
 H   -5.74843788      0.453998893      -1.44823647    
 H   -4.86658096       1.50919878     -0.752965987    
 O   -1.32363987       3.47229004      -3.02964926    
 H   -1.64356589       3.69225645      -2.14319229    
 H   -1.89758348       2.75599933      -3.32584810    
 O   0.503143728      -2.02610445      -3.74516606    
 H   0.842783689      -2.67908549      -4.35233212    
 H  -0.160664335      -1.51338995      -4.23712587    
 O  -0.346362352       4.87682438       1.29229450    
 H  -0.637813270       4.50900316       2.13555837    
 H   -1.07222509       4.71068287      0.674910903    
 O    2.31981063     -0.153336078      -2.47578001    
 H    2.01873040      0.754162371      -2.61760783    
 H    1.70012689     -0.738687038      -2.92797279    
 O    2.74451447     -0.561793745      0.168789864    
 H    3.63778400     -0.880512297      0.269518107    
 H    2.60058045     -0.435634255     -0.785508037    
 O   -2.81769967      -8.81188810E-02   2.46610904    
 H   -2.13359761     -0.571498156       2.94449711    
 H   -3.05473971     -0.607737720       1.68194020    
 O   0.473494589      -1.95496106       1.17978716    
 H    1.28202665      -1.54019523      0.856803834    
 H   -4.99060787E-02  -2.15354514      0.393189669    
 O   -1.15460050       1.57166564      0.930652738    
 H   -1.69947338       1.03785646       1.52128279    
 H  -0.244663760       1.55645835       1.25240207    
 O   -1.36558437     -0.527166903      -5.09366894    
 H   -1.95060754      -1.31998304E-02  -4.51470566    
 H   -1.33773494      -5.13774715E-02  -5.92052126    
 O   -2.27143478       3.74796557     -0.372524530    
 H   -1.85671079       3.00792408       9.97576118E-02
 H   -3.21730566       3.64740181     -0.224712148    
 O    1.60638535       1.61058271       1.53336322    
 H    1.80415404       2.41124797       1.03097618    
 H    2.03266907      0.872284293       1.08019841    
 O    1.83746326       3.93414879      -1.21924300E-02
 H    2.50931358       4.61020279      -4.89168689E-02
 H    1.07298541       4.32699203      0.446675748    
 O  -0.954519451      -2.13288903      -1.25212574    
 H  -0.519417226      -2.43854141      -2.05324340    
 H  -0.865706384      -1.16568351      -1.30454051    
 O   -3.80315256       2.47962809       2.75256467    
 H   -3.01658654       2.94313073       3.06382442    
 H   -3.58327985       1.53667724       2.78025556    
 O   -1.34080660       3.64928317       3.70513177    
 H  -0.791335702       2.85568118       3.82957673    
 H   -1.33297920       4.11392641       4.53870153    
 O   0.262319982       1.44881546       3.95429063    
 H   -1.18753295E-02  0.524173439       3.95559263    
 H   0.898990870       1.52810419       3.22966933    
 O  -0.750609159      0.548487961      -1.50540686    
 H   -2.51906607E-02   1.10463595      -1.81324911    
 H  -0.966783702      0.851036906     -0.611694694    
 O   -3.35678887      -1.32364690       8.36513937E-02
 H   -2.64767027      -1.72771525     -0.431562036    
 H   -3.80282283     -0.692302525     -0.491806716    
 O   -4.91936398       2.97045326      0.352339089    
 H   -4.55094481       2.79794049       1.23876822    
 H   -5.63718033       3.58696866      0.470987082    
 O   -2.77907991      0.999420464      -3.27741122    
 H   -3.58967614      0.940461636      -2.76077366    
 H   -2.05982947      0.846249342      -2.64183521    
 O    1.13859093       2.41713977      -2.35572815    
 H    1.42588210       2.94281340      -1.59971213    
 H   0.355275184       2.86072469      -2.71755981    
 O  -0.545220852      -1.27916014       3.59137011    
 H  -0.166532114      -1.54448760       2.73334122    
 H  -0.445746630      -2.02532172       4.17632294    
          69
 Energy    -248.21214140285366     
  O     15.04903803      3.71955045     -9.88170223
  H     15.00091407      4.30166994     -9.11456213
  H     15.13935463      7.78447347    -15.23704508
  O     12.62094068      3.40909606    -11.25959180
  H     14.17437522      3.68717991    -10.29288388
  H     16.78080847      6.85784518    -13.79616637
  O     17.00127852      4.20141161    -11.77400530
  H     12.76773387      2.50591819    -11.56513382
  H     16.11240359      5.77104662    -14.66172234
  O     17.11929470      6.98246151    -11.78944686
  H     12.74688808      4.00557489    -12.01352570
  H     12.93350208      8.72062031     -9.42586154
  O     11.83155273      9.69926603    -12.33276778
  H     17.25335867      5.13292464    -11.75982498
  H     12.59453666      9.70950274    -10.55633101
  O     13.39159687      0.80007220    -11.99614082
  H     16.33022771      4.07268381    -11.08596839
  H     14.37377858      8.00780970    -11.98559553
  O     15.54795323      0.98417172    -10.35029272
  H     16.15276200      6.91667177    -11.70529970
  H     13.91136254      7.11121457    -10.78296276
  O     17.03011251      9.70895889    -11.64860381
  H     17.31087589      7.93283937    -11.79202840
  H     12.22773247      6.30699835     -9.33818791
  O     15.72511328      9.99278343     -9.10761617
  H     11.81579685      8.92994514    -12.92958718
  H     13.59838203      6.47994646     -8.62095074
  O     13.20316678      5.23014516    -13.22546886
  H     11.07333434     10.23165752    -12.55925220
  H     16.16075828      1.26672285    -13.51639759
  O     14.56524598      9.65146554    -12.97073139
  H     12.93946363     -0.03715148    -11.93048429
  H     14.62934977      1.12431322    -13.46303374
  O     14.44242040      8.42023052    -15.48073741
  H     14.13563014      0.76839625    -11.36791815
  H     11.51669920      4.36553693    -10.21102588
  O     16.36082306      6.70621143    -14.64848411
  H     15.42641767      1.87981947    -10.00589324
  H     10.11841720      4.91364103     -9.87907599
  O     13.09158131      9.62468584     -9.73535435
  H     16.33511532      1.02476305    -10.90805442
  H     15.42583223      3.13877956    -14.34623360
  O     14.39361528      7.11433859    -11.61981914
  H     16.72792899      9.91857536    -10.75654934
  H     16.04013286      4.14373777    -13.35642217
  O     12.97136810      6.91368713     -9.21191686
  H     16.24158110      9.81819332    -12.19957046
  H     17.53016657      2.50412690    -12.08778593
  O     15.36082840      1.34714089    -14.05128031
  H     14.78675498      9.91665559     -9.35348125
  H     18.54299904      1.37067410    -12.36166684
  O     11.04319676      5.01768031     -9.66997907
  H     15.78705213     10.72237618     -8.49648289
  H     12.23128820      6.73266813    -13.87788825
  O     15.54455538      4.08468048    -14.18532176
  H     13.61671786      5.90595742    -12.66491149
  H     12.75961804      7.90040509    -14.71500426
  O     17.61443373      1.54686355    -12.23288283
  H     13.92757065      4.80163301    -13.70081559
  H     15.68829686      6.21680427     -8.13448333
  O     12.03384225      7.64307328    -14.13181987
  H     14.55890808      9.32750930    -13.88171801
  H     15.19107993      5.47436314     -6.86604136
  O     15.01685793      5.59643784     -7.79513624
  H     13.65677120      9.90013769    -12.76077531
  H     16.40613681      8.26943301     -8.89887244
  O     16.72355579      7.35606580     -8.89682243
  H     14.63447956      8.70978101    -16.36842238
  H     17.03359554      7.18326447     -9.79130291
          69
 Energy    -248.21203589945446     
  O     12.31474096      7.48918675    -10.29050595
  H     13.02765266      6.83240052    -10.17337963
  H     15.57340812     11.69857475    -14.29636126
  O     16.93276675      5.34516139    -12.83440584
  H     11.55451588      7.16349791     -9.81736578
  H     14.79862590      7.90486997    -12.79929779
  O     13.31867277     11.50724113    -11.78418655
  H     16.89842284      5.43747842    -13.79979637
  H     16.09823467      7.07173739    -12.62835752
  O     15.92736242     12.41483125    -12.61790459
  H     17.76834156      5.69328842    -12.50222675
  H     15.22204266      6.06052769     -9.94357134
  O     13.11135170      6.79742419    -16.79003833
  H     14.13892373     11.94685008    -12.03720002
  H     14.40208854      5.04060616    -10.78085903
  O     16.85093497      6.81409170     -9.68266094
  H     12.97180324     11.11782301    -12.59598317
  H     19.94810074      6.45419705    -11.37097894
  O     13.58237840      5.44123813    -14.37655535
  H     16.33329969     11.63925183    -12.19271412
  H     19.12020443      7.51673615    -12.12761880
  O     12.82374426     10.17358593    -14.26168174
  H     16.42555422     13.17811550    -12.33803367
  H     14.90919975      2.95785105    -12.18107432
  O     14.54159103     10.01022185    -17.47755295
  H     14.01992526      6.93800345    -17.07390070
  H     15.56839834      4.33599146    -12.42539924
  O     16.20302671      5.58511107    -15.44650697
  H     13.15930473      6.22116790    -16.01508471
  H     16.47679215      9.38130636    -11.91896131
  O     17.06675817      8.90433860    -15.04250457
  H     17.62580512      6.80837847    -10.25367042
  H     16.84263810     10.01428697    -10.55454144
  O     15.36624220     11.10837579    -15.03087633
  H     16.74412759      7.72112024     -9.36955020
  H     18.58314736      9.01765081    -13.84391948
  O     15.76233121      7.96053507    -12.79140599
  H     13.80982148      4.78783414    -13.70496652
  H     18.47690025      9.55813951    -12.41450956
  O     14.32629268      5.73715323    -10.12038700
  H     13.32146279      6.24107315    -13.89356794
  H     16.45328790      9.84362170     -7.98832038
  O     19.05928548      6.68382019    -11.62907394
  H     13.70486295     10.47950636    -14.52045349
  H     15.40302265      9.61965914     -9.10490686
  O     14.71686862      3.88760699    -12.27248115
  H     12.37181505      9.92750944    -15.07828790
  H     16.32004752      7.53795277    -18.27728533
  O     16.93715986     10.12969602    -11.50846469
  H     13.59594896      9.86378474    -17.35129016
  H     15.42885543      8.52734957    -17.49082509
  O     19.04960449      9.04174597    -12.99898029
  H     14.82525952     10.57096622    -16.74262850
  H     13.59654080     10.44238979    -10.34551562
  O     16.34689267      9.51540396     -8.87626116
  H     15.28811175      5.52180477    -15.13437825
  H     13.24530104      9.04138626     -9.79190132
  O     15.89968692      7.67554836    -17.43143302
  H     16.18807033      6.22205472    -16.16603025
  H     12.24002531      8.31827629    -16.74996233
  O     13.80246112      9.81280479     -9.63958546
  H     16.57696818      8.48346895    -14.31715975
  H     11.06307164      9.20935623    -17.21616554
  O     11.89184137      9.22798972    -16.74550044
  H     16.82907976      8.43562851    -15.84741365
  H     12.65871986      7.72664243    -12.07606784
  O     13.00984686      7.73658007    -12.97565910
  H     16.03660338     10.40979779    -15.02106186
  H     12.85155116      8.60460789    -13.37063149
          69
 Energy    -248.21181239787262     
  O     10.18911438      8.71939038    -11.34239330
  H      9.99781227      8.83242388    -12.28236605
  H     15.60014657     11.84629806    -13.31497316
  O     14.14135496      8.04260715    -15.63889146
  H     10.13107165      7.76921350    -11.18284542
  H     15.87389048      8.54399300    -12.77575345
  O     17.93970769     10.03760983    -14.61850187
  H     14.81509304      8.16002754    -14.94753848
  H     16.53335971      7.46901188    -13.72225223
  O     12.61586506      9.95952052    -14.38483971
  H     14.58476544      8.17749472    -16.48406518
  H     11.43630001      6.00411437    -11.29107421
  O     15.49193622      5.17065684    -11.08068216
  H     17.22650113      9.45311749    -14.31432775
  H     10.34577275      5.20039431    -10.54712672
  O     13.27734126      5.71326703    -14.42767975
  H     18.72416197      9.81772400    -14.09530899
  H     18.62398604      6.83571927    -11.47438548
  O     15.61831962      9.41304209    -11.17524970
  H     13.10971135     10.78211458    -14.49243824
  H     19.91106292      5.97881850    -11.59690863
  O     16.10740222     11.08124321    -16.47254930
  H     13.08728391      9.28320649    -14.89328499
  H     10.36238543      7.01522112    -14.21317546
  O     15.50490161      4.20736731    -13.81934793
  H     15.58057793      4.71234163    -11.92299856
  H     10.38455315      5.90150996    -13.15523733
  O     15.79274472      8.56626890    -17.83790126
  H     14.63636512      5.61957529    -11.13292940
  H     20.48899164      9.58885930    -12.33426643
  O     17.97004386      7.75683991    -16.43712375
  H     13.55722936      6.48028802    -14.94650211
  H     19.82290915      8.25741644    -12.70814036
  O     16.32870633     11.59250425    -12.73552580
  H     12.30836123      5.72364332    -14.40888010
  H     16.97371623      5.32539053    -14.06934959
  O     16.00182873      8.27534348    -13.69384784
  H     15.89642801     10.24963314    -11.57711273
  H     18.23286204      6.07394690    -13.49334680
  O     10.47652284      5.86225064    -11.22104304
  H     14.65192351      9.41816023    -11.15902179
  H     16.73950941      8.02775766    -10.60857185
  O     19.34918162      6.58029960    -12.07740314
  H     15.94555383     10.32102938    -17.04269932
  H     16.65096075      6.47788829    -10.65124534
  O     10.58391168      6.08484930    -14.08177705
  H     16.86303830     10.83962643    -15.91930332
  H     14.92115806     11.80179681    -15.42502439
  O     19.98643137      9.15855224    -13.02283245
  H     14.69634157      4.68262931    -14.07573014
  H     14.15265282     13.06481915    -14.96715274
  O     17.59176125      6.05278645    -14.21559288
  H     15.38590432      3.30181244    -14.09536643
  H     13.08997580      7.44701818    -11.66113438
  O     17.26690439      7.22101065    -10.56208057
  H     15.85967852      8.36170489    -18.76640606
  H     13.19848298      6.25281895    -12.65014571
  O     14.31152624     12.14980224    -14.74916195
  H     16.59411337      8.21115646    -17.41202699
  H     11.95383404      9.18176243    -11.37582470
  O     13.11203291      6.48206212    -11.71477784
  H     18.21178184      8.55057265    -15.94670489
  H     12.85579182      9.54798788    -12.57729260
  O     12.87762088      9.25598363    -11.65657115
  H     17.89090833      7.05910902    -15.77250300
  H      9.45882486      9.38824587    -14.76844228
  O     10.07138341      8.91441674    -14.21105633
  H     17.02047347     11.26714562    -13.32223469
  H     10.93422041      9.34888399    -14.31350649
          69
 Energy    -248.21166560517474     
  O     14.40310151      4.48273492     -9.87203820
  H     14.31791621      5.42672619     -9.70188797
  H     17.08214600      6.04373390    -15.53631178
  O     13.02466052      4.01802290    -12.24916184
  H     13.92428268      4.31210277    -10.69705059
  H     18.89110977      5.93189363    -13.98293987
  O     17.06296627      3.83867168    -10.32938262
  H     12.95483156      3.05568067    -12.22623600
  H     18.07247883      4.61406224    -14.07636832
  O     19.80309389      7.11348374    -12.79903686
  H     13.60263558      4.24847300    -12.99125032
  H     14.05496662      9.95725956    -12.20652217
  O     11.60558338      8.00056926    -13.88033047
  H     16.13875901      4.05755936    -10.13921340
  H     14.14730081      9.17495519    -10.87249725
  O     13.13581050      1.23134744    -11.88357979
  H     17.54026054      4.67841908    -10.36899117
  H     15.86904576      7.54970324    -12.96672596
  O     14.12791879      1.68990587     -9.39167631
  H     20.73145751      7.32151236    -12.85646939
  H     15.39795911      6.07808425    -12.90282188
  O     18.31191612      9.35394057    -12.88395666
  H     19.32026475      7.95948222    -12.85069379
  H     14.70617830      7.13528164    -10.94019173
  O     16.98176378     10.50684752    -10.64477470
  H     10.81550504      7.67464546    -14.30206111
  H     14.99768966      7.64442252     -9.51721314
  O     14.93118688      4.74981802    -14.09573239
  H     11.69954628      7.49144372    -13.05693208
  H     16.28333303      0.80114760    -11.69294628
  O     16.07272606      8.69388315    -14.40485685
  H     13.41786141      1.32441154    -10.95567697
  H     14.97122727      0.94516699    -12.48079223
  O     16.28673898      6.37693303    -15.99401478
  H     12.46964175      0.54918873    -11.90174294
  H     12.20458606      5.63685013    -11.81760998
  O     18.35578365      5.39131404    -14.57573986
  H     14.15275700      2.65285900     -9.31736504
  H     12.59881196      6.85308366    -10.94744295
  O     14.39303583     10.00035744    -11.30464068
  H     15.04965426      1.40196780     -9.41570302
  H     18.74378210      6.57253083    -11.36290062
  O     15.70634792      6.81489521    -12.36208589
  H     17.57824501      9.23871719    -13.50339274
  H     17.20307150      6.52909952    -11.35443829
  O     14.27874938      7.33850916    -10.09068123
  H     17.93824020      9.77157449    -12.09843162
  H     16.74080890      2.41499840    -13.11064979
  O     15.92806658      0.88589538    -12.58713989
  H     17.06783641     11.39273446    -10.30155291
  H     17.13351137      3.56970964    -12.17543676
  O     11.96975527      6.55221435    -11.61279284
  H     16.04881620     10.39722572    -10.90135821
  H     17.07302415      2.09242087     -9.98966858
  O     17.98545911      6.35925050    -10.80691618
  H     15.22475359      5.25342907    -14.86357111
  H     17.61457195      0.77777892     -9.38223659
  O     17.07488532      3.32409523    -13.10778612
  H     15.67311565      4.18797434    -13.82148574
  H     16.86222218      8.99651826     -9.45012098
  O     16.88611626      1.14436316     -9.87653986
  H     15.19981682      9.10792216    -14.40342450
  H     17.25306344      7.51530153     -9.46808166
  O     16.67917561      8.15137775     -9.02116182
  H     16.07950012      7.98870264    -15.06522785
  H     13.17925952     10.64339842    -14.42241192
  O     13.55453004      9.84951904    -14.04987767
  H     16.42806956      6.24019646    -16.92679705
  H     12.84283455      9.18547509    -14.02786017
          69
 Energy    -248.21119726907818     
  O     13.53911006      9.42851377    -11.06406314
  H     13.55794200     10.01733276    -11.83123630
  H     18.59135823      4.45336812    -10.08947413
  O     13.71019054      9.87425396    -17.02345316
  H     13.88589318      9.90905160    -10.30232160
  H     12.10748873      6.66891552    -11.58918666
  O     16.69341272     10.68032340    -13.10427816
  H     13.68743992     10.77089296    -16.66476172
  H     12.56346155      7.91702920    -10.80281070
  O     14.27496943      4.48617303    -13.34387675
  H     13.29383836      9.30797644    -16.36015738
  H     18.63595275      8.51575657    -12.03304515
  O     15.58997345      8.00456406     -8.26476960
  H     16.86250258     10.83607551    -12.16380240
  H     17.98204790      9.27414068    -13.18778677
  O     16.69641575     11.75238779    -15.66134748
  H     15.73726922     10.59764905    -13.20483792
  H     15.02885043     12.26570385    -15.71368216
  O     15.53558326      7.65329271    -11.95782639
  H     14.67841593      4.52312236    -12.46702940
  H     13.89333276     13.30335886    -15.89375483
  O     13.84219449     10.64621325    -13.48944673
  H     15.00419451      4.56563785    -13.97061594
  H     12.58524495      7.58917877    -14.30956483
  O     17.11297548     10.75855517    -10.37047639
  H     15.00474675      7.25284582     -8.41783775
  H     13.98998326      8.00524136    -14.79537535
  O     18.45836800      5.82533673    -13.38369379
  H     16.36000529      7.88354343     -8.83304678
  H     16.70582358      9.02127886    -17.86239269
  O     16.52180819      4.98122416    -15.02014455
  H     16.75017374     10.93628773    -16.17335150
  H     15.41593270      9.44835364    -17.11816838
  O     18.23572112      5.18623522    -10.58512780
  H     16.86645707     11.49194174    -14.74416154
  H     11.30773156      5.50076732    -13.66276836
  O     12.23507080      7.01247640    -10.69753061
  H     14.83368983      8.25676492    -11.68350601
  H     12.83042061      5.46506996    -13.40011931
  O     18.61747645      8.57242790    -12.99348042
  H     15.68047543      7.74895308    -12.90744048
  H     13.24301934      5.42258963     -8.16614683
  O     14.06183770     12.38772580    -15.69091505
  H     13.49853189      9.84959079    -13.92092146
  H     13.17054360      6.25115501     -9.47252667
  O     13.06532733      8.29670933    -14.75367106
  H     13.81986918     11.34819083    -14.15013634
  H     14.93143947      5.20369373    -10.12334594
  O     16.36127703      9.24273767    -17.00131579
  H     16.33116181     10.83797776     -9.81082855
  H     15.48537172      5.99647865    -11.32886259
  O     12.04393606      6.03917173    -13.38279241
  H     17.47623130      9.88525801    -10.17974216
  H     16.96664017      7.92273025    -10.90878432
  O     13.78141368      5.84808806     -8.82754971
  H     18.50801938      5.53997872    -12.46541615
  H     18.05983846      7.05583789    -10.24178772
  O     15.51164605      5.12886391    -10.89108003
  H     18.55179214      6.78984841    -13.37383671
  H     16.09375445      8.19506045    -15.48182645
  O     17.68873420      7.94616051    -10.25704982
  H     17.26506517      5.22211025    -14.43491906
  H     15.98354867      6.73272701    -14.95365141
  O     15.73060146      7.64765725    -14.77432385
  H     16.88588507      4.45827636    -15.72864728
  H     15.01841353      9.63333177     -8.49396546
  O     14.74079793     10.52195595     -8.78297622
  H     17.27627589      5.04113314    -10.65810812
  H     14.47300848     10.99802987     -8.00197535
          69
 Energy    -248.21087986798469     
  O     19.77974510     12.14390618    -19.47304373
  H     19.24496808     12.91167735    -19.74859492
  H     17.43378654     14.25496099    -19.47726413
  O     17.55245983     17.85253134    -14.15088404
  H     19.87095903     11.58486076    -20.23988366
  H     21.93496996     16.39492845    -17.01448438
  O     22.35595952     12.30649183    -15.37543159
  H     17.30015233     17.38465563    -14.95766533
  H     20.60989216     15.61581324    -16.97435611
  O     15.65774014     14.35015452    -14.06288444
  H     18.51696284     17.82625416    -14.10365933
  H     22.65972937     13.93016160    -14.46782711
  O     16.29745374     13.92259254    -17.97375849
  H     22.95306310     11.56364672    -15.37131280
  H     22.17566647     14.88048289    -13.33612945
  O     16.31700723     10.12608074    -13.47840746
  H     22.24859426     12.57900120    -16.30600416
  H     17.14162510     11.66853704    -13.16666544
  O     14.24839930     13.17452556    -16.13856869
  H     15.68046384     15.04236734    -13.39082379
  H     18.30157662     12.49517598    -13.80356858
  O     21.91835701     13.15322906    -17.89249106
  H     16.29559599     13.67523907    -13.78487268
  H     16.57237880     10.99808948    -16.55417650
  O     22.78484111     17.11768499    -15.46936892
  H     15.47104591     13.68902389    -17.53488785
  H     15.16214442     11.46865733    -16.14897798
  O     16.23065560     16.43422009    -12.25409534
  H     16.93028764     13.23258787    -17.72133523
  H     21.34540939     15.62547261    -11.09803079
  O     19.59720251     12.63498198    -15.03807396
  H     16.09157802     10.25260578    -14.41626698
  H     20.07747155     15.17053526    -11.85259072
  O     18.21139878     14.25039991    -20.04821240
  H     16.18367270      9.20045576    -13.29628843
  H     20.58344309     16.82043599    -13.21788590
  O     21.32478975     15.89491460    -17.56826438
  H     13.30504852     13.28132449    -16.04518702
  H     21.16712591     17.47296023    -14.49875753
  O     22.78574257     14.80446906    -14.08022082
  H     14.65416088     13.58714896    -15.35807113
  H     17.70602876     15.31147648    -11.76095441
  O     17.55690748     12.54224724    -13.18742726
  H     21.23031033     12.79133680    -18.46407730
  H     18.15447182     13.87183879    -12.08581798
  O     15.76921210     10.72173539    -16.09249396
  H     21.80672702     14.11263885    -17.90189967
  H     18.66554347     11.83711294    -18.00500514
  O     20.98427796     15.50592853    -11.97263607
  H     22.86771920     16.27135548    -14.99058913
  H     18.61764294     12.08197019    -16.47286188
  O     20.35263255     17.34802265    -13.99557181
  H     23.63179682     17.55120079    -15.41215373
  H     19.74384946     15.94846169    -15.02663869
  O     18.44271200     14.69679952    -11.67106340
  H     16.69321060     17.01408720    -12.88553271
  H     18.52176351     15.49588079    -15.87365582
  O     18.07185648     11.88244336    -17.24566521
  H     15.73508567     17.00158151    -11.67002616
  H     20.25060837     16.43980728    -18.93619341
  O     19.44084215     15.28575194    -15.65995954
  H     19.56657518     13.58414145    -15.23729634
  H     19.40048788     17.57215120    -19.53205007
  O     19.56043726     16.63331319    -19.58892404
  H     20.52665653     12.38115006    -15.06026709
  H     16.40245104     15.40218501    -15.38042138
  O     16.81005539     15.90397075    -16.10108344
  H     18.63514083     15.11556064    -19.95432248
  H     16.64592933     15.38424602    -16.89916292
          69
 Energy    -248.21064977061187     
  O     -4.63400675      6.75894998     -6.75009899
  H     -3.66934157      6.78158175     -6.75586943
  H     -4.16065007     -0.30880374     -5.08102837
  O     -6.35977126      1.35321346     -7.09775062
  H     -4.92735051      6.49881323     -7.63150748
  H      0.90181787      3.44221593    -10.30129591
  O     -4.16022520      3.29414997     -4.66887496
  H     -5.49456724      1.73719574     -7.31616353
  H     -0.44073709      3.40936074    -11.06222373
  O     -3.87920173      2.49905763     -7.34623353
  H     -6.27642691      1.07251616     -6.17897887
  H     -1.16595280      1.42377698     -7.14778182
  O     -6.03069490      5.33930142     -4.94968207
  H     -3.25623066      3.64443211     -4.69009936
  H     -1.75297370      0.14765520     -7.85108725
  O     -7.12657461      4.08851343     -7.30679633
  H     -4.77973874      4.03553449     -4.67684697
  H     -0.59519229      3.70536135     -7.75580146
  O     -4.01962887     -2.44416299     -7.62667919
  H     -3.95168324      2.88446457     -6.46373773
  H      0.59606422      2.73215214     -7.72439796
  O     -2.06520932      2.24467999    -11.00390678
  H     -3.18650189      1.82546681     -7.30314552
  H     -4.49511794     -0.09453563    -10.39150789
  O     -2.03019850     -1.17431225     -9.19435728
  H     -5.52580957      5.91470780     -5.55427704
  H     -4.13594844     -0.40277760    -11.86243531
  O     -0.01191513      0.51801991    -10.12152737
  H     -6.49637425      5.91284428     -4.34740187
  H     -1.69290561      5.15344814     -5.51909777
  O     -5.85203340      5.66685840     -9.11614927
  H     -6.87699124      4.43501896     -6.44158732
  H     -1.06647490      3.75662960     -5.67457312
  O     -3.50282861     -0.87544472     -5.49985380
  H     -7.02650918      3.12967853     -7.25846688
  H     -1.51665801      6.22660192     -7.44829271
  O      0.26851525      3.99734037    -10.77305301
  H     -3.86550308     -1.93935225     -6.80731025
  H     -1.21546841      7.45737592     -6.56053115
  O     -1.82118403      0.71703740     -7.07453855
  H     -4.18568364     -3.34629826     -7.36825493
  H     -5.97629629      0.07549358     -8.43867960
  O     -0.20079617      2.98741254     -7.24228210
  H     -2.67267476      1.50750220    -11.14778932
  H     -5.13545964     -1.21538214     -8.56487272
  O     -3.80361915      0.01111251    -11.06967616
  H     -2.59820443      2.92393016    -10.56826464
  H     -4.37405340      4.64880186     -9.56015904
  O     -1.66106390      4.27568511     -5.11942187
  H     -2.59124050     -0.80831243     -9.89193034
  H     -3.72089008      3.49381757     -8.76280393
  O     -1.79795024      6.70727313     -6.64983388
  H     -2.60537147     -1.74393682     -8.66877544
  H     -5.82265671      0.80593649     -3.53464250
  O     -5.55239758     -0.51073497     -9.07689566
  H     -0.68462305      1.13619534    -10.44141135
  H     -4.96795308      1.73976364     -4.42088402
  O     -3.60312158      4.07085084     -9.53472505
  H     -0.50022813     -0.25646375     -9.81995810
  H     -2.08404909      4.86321372     -9.05543042
  O     -5.45602888      0.89808078     -4.41035348
  H     -6.35926765      5.07958802     -8.52661983
  H     -0.60132962      4.93067216     -9.50622124
  O     -1.20354409      5.16283228     -8.78549254
  H     -6.48581235      6.11223339     -9.67195789
  H      1.21880047      1.50479339     -9.43935150
  O      1.78936760      2.20495597     -9.07028569
  H     -2.83579178     -0.28981657     -5.88527634
  H      2.68744474      1.89323055     -9.13561051
          69
 Energy    -248.21048257290784     
  O     16.34582970     11.25819868    -15.49533764
  H     16.79639032     11.35907980    -14.64591099
  H     12.55506970      7.62182770     -8.94384760
  O     16.16740076      7.10008211    -11.25658465
  H     15.43951294     11.55649734    -15.35630503
  H     14.89771274     13.13852944    -11.95642983
  O     11.93844862      7.79082276    -12.42530366
  H     15.30255426      6.71246498    -11.07345703
  H     13.73359336     12.18720970    -11.66842689
  O     13.63721479     10.77670216    -10.49347128
  H     16.45898683      6.69469209    -12.08457573
  H     14.76616529      9.96425740    -11.64414888
  O     19.46809219      9.41466394    -12.34064343
  H     11.40713287      7.16507286    -12.94076351
  H     15.66893788      8.71448358    -11.90759126
  O     13.14504704      5.10486922    -15.04726607
  H     12.40334049      8.35387204    -13.05850414
  H     16.77239022      9.72807003    -16.17467535
  O     16.54760381      5.87112621    -13.72776928
  H     14.38142929     10.84729738     -9.87199172
  H     17.37009420      8.95733958    -17.37587588
  O     13.46041808      9.29027201    -14.21552509
  H     12.97069650     10.17887391    -10.14347304
  H     18.10501514      8.17947631    -15.06411622
  O     16.01874422     11.07572282     -9.25065840
  H     20.42028718      9.36958806    -12.33400399
  H     18.00033039      7.00288566    -14.08060428
  O     14.61718136      4.00720903    -12.83300540
  H     19.16522867      8.79500795    -13.02899149
  H     10.69591570      9.12744213     -9.79076406
  O     17.79275801      9.03004301     -9.99092998
  H     13.63540194      4.61914343    -14.37347530
  H     11.65403436      8.50849794    -10.83654270
  O     13.10311697      6.89561282     -8.60988814
  H     13.73252706      5.80930933    -15.35032234
  H     13.06054122      6.52647041    -11.64110471
  O     14.04884336     12.84359007    -12.30574953
  H     16.04620943      5.09039664    -13.46439132
  H     13.43214916      6.09518657    -10.19623178
  O     15.33626214      9.53289562    -12.29655383
  H     15.97207533      6.36580230    -14.33073335
  H     10.02573635      5.62144449    -14.55036918
  O     17.02580103      8.84325470    -16.49406875
  H     14.18758185      9.35026843    -13.57296230
  H     11.56185719      5.61083442    -14.45067750
  O     18.52335668      7.78767567    -14.28791465
  H     13.35375638     10.18303265    -14.56198130
  H     17.01795285     12.55047913    -11.80289942
  O     11.60418290      8.87362673     -9.93538321
  H     16.66453776     10.37952440     -9.44251593
  H     17.28206532     13.91116043    -11.11839678
  O     13.61807605      5.92422415    -11.13028182
  H     16.30108271     11.85154320     -9.74889456
  H     14.32684516      7.96596016    -15.11332298
  O     10.75273716      5.94720437    -14.02770660
  H     14.22944281      4.61393007    -12.17918984
  H     15.60171871      7.76161587    -15.96240516
  O     16.65915933     13.19042997    -11.16416861
  H     14.58136089      3.13343015    -12.45260272
  H     13.78549447     12.35849810    -13.95347950
  O     14.90391678      7.28791539    -15.49242217
  H     17.28767644      8.25674268    -10.27508645
  H     13.12973148     12.67834654    -15.31625470
  O     13.65787530     12.02807383    -14.86132746
  H     18.43283499      9.18115159    -10.69564279
  H     16.68134738     10.63165841    -12.69333559
  O     17.42339163     11.22208528    -12.90257482
  H     13.70192079      7.28617900     -7.97626694
  H     18.22665969     10.71334942    -12.73732435
          69
 Energy    -248.21041030197418     
  O     13.19096205      3.63070402    -11.99882422
  H     12.49546414      3.04847598    -12.32773664
  H     10.01631751      3.78699987    -12.53483128
  O     12.95249412      3.55114891     -9.24554508
  H     12.97560801      4.50458932    -12.34812440
  H      8.64557626      7.04795382     -9.48483594
  O      8.36677740      6.85787470    -13.49733004
  H     13.23387634      3.47446547    -10.16976308
  H      8.12496323      8.35240180    -10.11414659
  O     15.07492963      7.65359817     -8.89981582
  H     12.40133686      4.35172844     -9.22997999
  H     11.94138822      6.54401673     -9.81032100
  O     11.80276070      6.39604139     -6.60060692
  H      8.69890374      6.01851490    -13.15381319
  H     10.61419123      5.74345298     -9.50921409
  O     10.79429853      2.10663226    -12.59597887
  H      9.11944406      7.26361678    -13.94569010
  H     11.55496540      2.28724993     -9.63332367
  O     12.11370509      6.19617098    -12.79425316
  H     14.93330655      6.79584734     -8.46180888
  H     10.05438840      2.11532147     -9.33534306
  O     10.94365410      9.53058352     -9.84975706
  H     16.01606951      7.74842541     -9.02179556
  H     14.04694430      8.52758990     -7.54338038
  O      7.43223545      8.77332870    -11.80857789
  H     11.75792172      6.22955439     -7.55727599
  H     12.91267157      7.96594285     -6.66698941
  O      8.94682881      3.07397389     -8.10455884
  H     11.04728513      6.97712238     -6.42500293
  H     14.10322029      4.62801117     -8.15348214
  O      9.98130495      9.90603677    -12.46602594
  H     10.67049383      1.28443474    -13.06166644
  H     13.70949305      5.57115340     -6.99651033
  O      9.77962472      4.70630812    -12.36306044
  H     10.73517402      1.90538305    -11.64430271
  H      8.80379147      4.52071160     -9.26568559
  O      8.63902601      8.00938578     -9.37205790
  H     11.74099612      6.79660946    -13.45241562
  H      9.10293203      5.00980140    -10.72790149
  O     11.53551430      5.86953644     -9.25280925
  H     12.47528445      6.76594235    -12.10018245
  H     12.30458351      8.49911686    -10.40447645
  O     10.76412117      1.80760599     -9.91065669
  H     11.11494736     10.01582711     -9.03375851
  H     13.69775555      7.82424433    -10.13916905
  O     13.39284993      8.77611054     -6.88021129
  H     10.17626909      8.96548973     -9.67605294
  H     11.39985353      4.52355932     -6.51183119
  O     14.42997833      5.34505543     -7.59398093
  H      6.54886372      9.03056769    -12.05857830
  H     11.97940778      3.38271192     -7.37537405
  O      8.89588473      5.30029576     -9.82723097
  H      7.68943907      8.04271895    -12.39974729
  H     12.18059172      9.99887712     -7.10648256
  O     12.90342673      7.79178285    -10.68648417
  H      9.72088048      3.25887106     -7.54393355
  H     11.53521292     11.37527163     -6.81033285
  O     11.26653435      3.60071153     -6.76588402
  H      8.28573100      2.68120421     -7.54038051
  H     10.57009244      8.81540355    -13.70343431
  O     11.40465969     10.56025403     -7.28667668
  H      9.06130202      9.67832714    -12.28189712
  H     10.99597018      8.58793607    -15.17314184
  O     10.78360943      8.13127289    -14.36358680
  H     10.41348126      9.93223944    -11.60267567
  H     10.18894750      9.10192654     -6.78836683
  O      9.75091183      8.24577919     -6.71073519
  H     10.59375957      5.22166380    -12.46294452
  H      9.23262403      8.15243037     -7.51988737
          69
 Energy    -248.21031658269655     
  O     11.85742661     11.56760574    -12.81655779
  H     12.20678055     10.89473975    -12.20447435
  H     18.34035571      6.49662736    -15.42905088
  O     20.21067392      6.95260094    -12.39659751
  H     10.97716703     11.77759302    -12.51677661
  H     17.55345893     12.91491378    -16.00377946
  O     18.19183994     10.95767789    -12.04165035
  H     21.03546154      6.55853970    -12.12604265
  H     18.60568960     14.04965119    -15.99444073
  O     13.13995994      9.72490217    -11.33347388
  H     20.40268211      7.50059605    -13.17872606
  H     15.08636233     11.68820419    -12.93697391
  O     15.99571613      7.14836050    -12.29533053
  H     17.24523037     10.92532910    -12.24635888
  H     15.35571443     10.17308020    -13.16291255
  O     14.21539302      7.40850534    -10.10476398
  H     18.31370686     11.75916920    -11.51809012
  H     13.10775293     12.63949560    -17.05678043
  O     17.98299919      5.86055758    -13.84604267
  H     13.98983609     10.05932057    -11.64639142
  H     13.35945705     11.48593789    -16.05429051
  O     14.12616576     13.04965087    -13.70507892
  H     13.34272950      8.89547404    -10.88721514
  H     16.99935445      8.68894814     -9.61916984
  O     17.27554000      9.36919884    -15.95435055
  H     16.74951848      7.59033167    -11.87604139
  H     16.11545175      9.87055996     -9.15799826
  O     18.18883455      8.36959913    -11.06544535
  H     15.31327835      7.08200815    -11.61697879
  H     20.01021679      7.92783199    -15.32459687
  O     16.47364073     11.90606010    -16.88275996
  H     13.87520541      6.79609871     -9.45871714
  H     20.22343682      9.31474270    -14.67915917
  O     18.61980503      6.94348812    -16.24871809
  H     14.90220795      7.93797219     -9.65700239
  H     15.78840411     13.91377281    -13.28150273
  O     18.18720514     13.39594087    -15.44017776
  H     17.20436522      6.14730150    -13.35211358
  H     17.21559227     13.88081466    -13.87969193
  O     15.44907192     10.89433607    -12.52240736
  H     18.74303316      6.07907115    -13.29204563
  H     18.39975668     14.16594783    -10.38246899
  O     13.73065653     12.31254803    -16.41333419
  H     13.30398940     12.70757079    -13.32874858
  H     17.48321995     13.73182565    -11.55128889
  O     16.21602945      8.91019979     -9.09972165
  H     14.05034100     12.92093202    -14.65993836
  H     18.92474015     10.88861817    -13.65803918
  O     20.53724064      8.40091118    -14.66878081
  H     17.68703797      8.52993805    -16.19560273
  H     19.01405727     11.77103504    -14.91944376
  O     16.71511851     14.09105185    -13.08106876
  H     17.94162277      9.87292041    -15.46432784
  H     13.50128859      9.56551566    -14.86443297
  O     17.93107704     13.41921528    -10.74394794
  H     18.94406412      7.87753977    -11.40980482
  H     12.36137728     10.49310033    -14.36870811
  O     19.19525707     10.88363883    -14.58843188
  H     18.28673801      9.28493570    -11.36391109
  H     15.59970882     11.42452841    -10.60389876
  O     12.77358269     10.12951909    -15.16132551
  H     15.52043825     12.02534930    -16.79108485
  H     16.58786631     12.30352189     -9.85032140
  O     15.90841937     11.63260403     -9.71504236
  H     16.65758876     10.97154161    -16.72128596
  H     15.85715639      8.97387657    -14.92384006
  O     15.12744831      8.84826920    -14.30081433
  H     18.71001113      6.26817654    -16.91516057
  H     15.38004758      8.15520017    -13.67536587
          69
 Energy    -248.21019279890024     
  O     16.30983800      5.07872897    -13.25473812
  H     15.63386468      5.01750877    -12.56834622
  H     15.44750801     10.28967815    -15.74743778
  O     17.95763486     11.79915052    -14.98310524
  H     17.18177062      5.10015145    -12.83943067
  H     15.25667412      8.06997547    -13.32605325
  O     11.55494772      8.31636204    -13.96058367
  H     18.78551156     12.10113646    -15.34711010
  H     16.20556374      6.87713281    -13.62573471
  O     17.74208593      7.30795797    -10.43198900
  H     18.15673504     10.98069001    -14.50019944
  H     14.64933896      6.69818599    -10.53353448
  O     12.39633125      5.60614489    -13.62465951
  H     11.23617133      9.22374485    -13.91973371
  H     15.97697814      7.44650654    -10.29182838
  O     14.08816555     11.25234184    -12.82722102
  H     12.35129730      8.31477349    -13.40132450
  H     19.11935978      6.06202500    -13.18960930
  O     12.66836112     10.91907525    -16.31170589
  H     18.20225589      6.74206001    -11.06228165
  H     19.67347477      5.00150821    -12.20829446
  O     15.84832227      4.87103926    -15.99473095
  H     18.11596857      8.19197420    -10.52925764
  H     13.70740814      4.39455827    -11.04129965
  O     15.55278460      8.53974622    -16.33092235
  H     11.89728252      6.42928981    -13.69063921
  H     13.46028546      5.32372485    -12.24853130
  O     13.19644060      5.23586508    -16.35799548
  H     12.66359292      5.39494749    -14.52750042
  H     18.44575319      9.69009572    -12.62671015
  O     17.65717966      6.89110835    -16.96468647
  H     14.57660281     11.27817709    -13.66350617
  H     17.50578437      8.91110851    -13.58687254
  O     15.31651460     11.16413586    -15.35604655
  H     13.15825613     11.38480094    -13.05246608
  H     18.82279672      6.95143368    -15.42459420
  O     16.07644455      7.82132235    -13.77356943
  H     12.67715625      9.99279712    -16.58138108
  H     19.13844548      7.95177803    -14.29360152
  O     15.01253404      7.55656493    -10.28149886
  H     13.58360267     11.14730693    -16.09672156
  H     17.46827661     10.28472165    -10.72570792
  O     18.91900661      5.55857253    -12.38006255
  H     16.03608541      4.82550813    -15.04661354
  H     18.89980525     10.65000567    -10.26621021
  O     14.07578259      5.13484251    -11.51757842
  H     16.51432721      5.45442726    -16.37482917
  H     12.35373052      8.14701263    -15.61016914
  O     18.31268177      9.44736125    -13.55207051
  H     15.74284119      8.24913566    -15.42335615
  H     12.89322967      7.07511483    -16.57103389
  O     19.32363113      7.05543312    -14.60723457
  H     14.61505736      8.35884694    -16.47940056
  H     15.34835359      9.61703245    -10.33402806
  O     18.41075278     10.06243739    -10.83551161
  H     12.86401608      4.52849318    -16.90436652
  H     15.17944939     10.85819541    -11.25388492
  O     12.82097173      8.03063961    -16.45036774
  H     14.15502376      5.09100924    -16.26555446
  H     11.80422814     11.17183974    -14.81058427
  O     15.74135563     10.46292775    -10.57590664
  H     16.93999885      7.53965069    -16.86429313
  H     10.72452030     11.85871725    -13.94260229
  O     11.42788659     11.21553400    -13.91263175
  H     17.98353797      6.98202007    -17.85685701
  H     14.14289072      8.24561708    -11.63593472
  O     13.78314243      8.55857268    -12.47724117
  H     16.19969961     11.55112082    -15.27887491
  H     13.90069835      9.51776723    -12.53158280
          69
 Energy    -248.21014350769644     
  O     17.69581612      9.85618167    -10.94175418
  H     17.08004029      9.46852871    -10.29934347
  H     14.27061837     11.01772450     -9.57358059
  O     13.72429982      5.06297934     -8.23302416
  H     17.78317455     10.79453999    -10.74094609
  H     11.15208780      9.20362414     -8.00574982
  O     17.94742186     12.48517551    -10.05711887
  H     13.80941403      4.13115541     -8.04995562
  H     11.92299019      8.17285154     -8.86832499
  O     11.93525589      6.71189443     -9.74069843
  H     14.47446191      5.30765180     -8.80213923
  H     18.63113201      5.50265053    -12.81110221
  O     16.59201700      8.54877678    -13.09091623
  H     18.42730025     12.14240337     -9.27961926
  H     18.41096973      4.82680583    -11.44612669
  O     19.65509253      7.97877436    -10.74771012
  H     18.38551966     13.28860161    -10.32268698
  H     15.62508283      5.88825356    -10.79655704
  O     20.41263346      8.82393326     -8.21703573
  H     12.43254449      6.03444660     -9.26846210
  H     15.74994817      6.93112628     -9.65034371
  O     18.48345788      5.60140286     -9.62248899
  H     12.27242327      6.72310741    -10.64859533
  H     18.21611551      7.72746263    -13.46982391
  O     13.06022893      6.88273753    -12.26610750
  H     15.69499507      8.90320055    -13.13202512
  H     19.45870936      7.42386206    -14.33050454
  O     15.42661834     12.07916115     -8.74377443
  H     17.01846186      9.04678038    -12.37663169
  H     16.54816125     10.23963817     -6.33311921
  O     13.98410378      9.59036330    -12.68028112
  H     19.71917145      7.67760844    -11.66039394
  H     16.56224580     11.50184152     -5.43890544
  O     13.78976575     10.30622754    -10.02562012
  H     19.00387475      8.69846307    -10.76964658
  H     16.03397720      8.67562438     -8.34273379
  O     12.02012364      8.98393102     -8.33327812
  H     21.34496439      8.71611276     -8.04051011
  H     15.11750617      9.17843762     -9.51115201
  O     18.20484743      4.74846490    -12.38590526
  H     20.26514889      8.50756825     -9.12300759
  H     19.52438799     10.49968091     -7.94006693
  O     15.72618859      5.98138197     -9.83999011
  H     17.51888585      5.68468069     -9.66721991
  H     18.35248826     11.27034949     -7.26557317
  O     19.08086986      7.28700261    -13.46464739
  H     18.85329080      6.41779529     -9.98448797
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  H     16.48209288      5.33112284    -12.62771551
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  H     16.20085564     12.33644770     -9.25865033
  H     19.16794512      7.63337818     -7.34148674
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  H     18.47940943      6.35454227     -7.82699531
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  H     13.45146974     10.18973252    -13.19811705
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  H     13.11734912      9.95290677     -9.42749943
  H     17.01306794      7.91682884     -6.63566240
          69
 Energy    -248.21002827209628     
  O     -0.04601726      3.37741990      4.41400459
  H     -0.11915681      3.24311805      5.36685076
  H     -2.03025419     -3.07760371      4.83603125
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  H      0.64936932      2.76893806      4.12636254
  H     -1.55927876      0.88029526      2.47804828
  O     -0.13666327      2.33501950      7.08901721
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  H     -1.78209398     -0.30896558      1.48583280
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  H     -3.57409317     -1.65726681      1.68430504
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  O     -3.02650725     -0.36695411     -1.35783358
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  H     -4.11662753      1.77843902      1.12283323
  O     -0.67031479      2.32329177     -0.05304734
  H      0.38620143     -0.05054617     -1.93204843
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  O      2.46782838     -1.14230318      0.07549971
  H     -0.38175148     -2.08532597     -1.89951295
  H      1.69217930     -1.00801980      1.69087238
  O     -3.25687539     -1.87614914      4.99648476
  H     -0.63796417     -1.90194446     -3.41263865
  H     -0.00027983     -3.27089593      0.21546026
  O     -0.62946449     -3.16299998      2.05027664
  H     -4.78425484     -0.11666741      2.53184191
  H      1.19729771     -2.51839025     -0.39837736
  O     -1.25586206     -3.66232447      4.73851379
  H     -5.82869996     -1.22993221      2.78347820
  H      2.15673125      1.17672697      5.28678372
  O     -1.13641954      0.33667127      1.79936521
  H     -3.06542502     -0.92660829     -0.56999751
  H      1.54890056     -0.05812145      5.97303752
  O     -2.84888889     -1.74472812      1.05242246
  H     -2.28180167     -0.70106999     -1.87159721
  H     -0.92391572     -0.28744155      5.62120450
  O     -4.40519466      1.48379359      1.99418553
  H     -0.76619882      1.59802746      0.58363088
  H     -1.29405544      0.97463722      6.43083110
  O      1.13701055     -0.90499571      2.47565189
  H     -1.56930784      2.50052469     -0.35188573
  H      0.78216395     -1.26634130      4.23992123
  O      0.40293913     -3.01934484     -0.62335679
  H      3.38682795     -1.10576682     -0.17473658
  H     -0.00581067     -2.26593208      5.11795454
  O      1.91195025      0.81879274      6.15115618
  H      1.99675211     -0.48785813     -0.47352783
  H      1.94320676      2.30742199      2.73455092
  O     -1.66947937      0.26904470      5.88981477
  H     -3.86078005     -1.56687564      4.31100501
  H      1.84388450      0.80208842      3.08309940
  O      0.46410588     -1.42371319      5.13995895
  H     -2.87645955     -1.09083180      5.41162663
  H     -4.01634465      2.63541841     -1.26495821
  O      2.05137009      1.66617211      3.45383949
  H      0.01833721     -2.46159117      2.19382480
  H     -3.32478715      1.28700869     -0.95123629
  O     -3.44834944      2.20095118     -0.63408502
  H     -0.85188540     -3.49461658      2.92982654
  H      0.62772935      3.98462774      2.37212332
  O      1.16668051      3.58258986      1.68443689
  H     -1.41986295     -4.43277274      5.27527577
  H      0.54867387      3.26978910      1.00940947
          69
 Energy    -248.20992387878027     
  O     14.60803743     12.35867603    -12.27795066
  H     15.46932643     12.18139867    -11.88431048
  H     14.20553481      6.55516315    -14.60023573
  O     17.14742198      9.68715902     -7.42753099
  H     14.03019250     12.55087553    -11.52909586
  H     11.32561202     10.31721879    -11.51339467
  O     17.41581786      7.24171671    -10.85162091
  H     17.76768342      9.66772384     -8.16608413
  H     10.99773619     10.10018038    -10.02208091
  O     14.39730772      5.36642741    -11.17497891
  H     16.39538626     10.21444894     -7.72452787
  H     16.36638220      9.82825085    -15.66984001
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  H     15.99939804      9.37439746    -14.23743445
  O     16.80256143     11.28601883    -10.75308513
  H     16.77211396      7.04570008    -10.15478666
  H     18.39534659      8.62262558    -10.15553901
  O     13.02755192     12.65432361     -9.90194435
  H     14.73509157      5.63233144    -10.30720060
  H     19.71657494      9.34094835     -9.80642228
  O     10.35554069      7.28062927    -11.26997241
  H     15.16197211      5.22309347    -11.74701902
  H     15.97983176      6.59377640     -8.10865044
  O     14.93149716     10.95434815     -8.71208306
  H     16.98717309      8.01794830     -6.84287058
  H     14.78933655      7.25972105     -8.84142993
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  H     17.01129856      6.96440434     -5.72075622
  H     12.13862656      9.75463887    -13.54503386
  O     11.81379784      4.95874066    -12.01337956
  H     16.15859746     11.19428981    -10.03423693
  H     12.46301447      8.71467534    -12.46110558
  O     15.16978022      6.62556711    -14.65182283
  H     17.60304133     10.83956440    -10.45279844
  H     12.11912333      5.96303835    -13.63784835
  O     11.24675382     10.77240674    -10.66737299
  H     12.55992891     13.45529440     -9.68095803
  H     12.08200100      7.44054496    -14.06651544
  O     15.69994451      9.37010969    -15.16339675
  H     12.35619841     12.00259818    -10.17374912
  H      9.98560760      8.44063406     -8.33352178
  O     18.76798417      9.44485963     -9.79876095
  H     10.77964373      6.44075379    -11.48445280
  H     10.53776400      8.03125365     -9.72121568
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  H     10.62181363      7.90178878    -11.96044277
  H     17.13496816      4.65534334    -13.24933291
  O     11.72746394      9.08431031    -12.97700720
  H     14.44375413     10.11810943     -8.72726999
  H     16.16591526      5.83062724    -13.53040702
  O     12.41861914      6.57410950    -14.32124050
  H     14.30340407     11.63170388     -8.99390223
  H     14.06801068     10.36488467    -14.71731429
  O     10.72639008      8.55640417     -8.92186953
  H     14.07214596      7.19678766    -11.63134443
  H     13.77694018     11.41308094    -13.62343088
  O     16.67293934      5.37617129    -12.83051275
  H     14.69678096      8.57309547    -12.01691482
  H     13.62446014      8.51842536     -9.93062334
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  H     11.57209217      4.03599617    -11.99440579
  H     12.58552378      8.53647835     -8.78361130
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  O     16.34305248      9.22343015    -12.51010621
  H     15.35466150      7.51472391    -14.97465931
  H     16.77116383      8.51310547    -12.01589200
          69
 Energy    -248.20978379435002     
  O      1.37997425     -0.92305139      5.30031072
  H      2.00814444     -1.02077863      6.01258684
  H     -1.42189402      4.44492672      0.65874506
  O      0.41793365     -0.10212310     -2.43760317
  H      0.96949985     -0.04814227      5.41969395
  H     -2.47360129     -0.89867493      5.67836976
  O     -1.20257491     -2.09419207      6.00556113
  H     -0.13577778      0.47357375     -1.89514665
  H     -2.97054822      0.59288472      5.63365575
  O     -0.04215105     -2.82071327     -1.64618498
  H      0.13847452     -1.00739091     -2.24927305
  H      0.83399060      1.81014102      2.25209633
  O      2.23422508     -2.45466627     -0.15916563
  H     -1.43940460     -2.88414465      5.50298953
  H     -0.30105186      2.85820573      2.38759342
  O     -3.35004086      2.90173436      3.22536635
  H     -0.31923038     -1.82992233      5.72427740
  H     -1.59555406      0.83407833     -0.11243455
  O     -3.89872042     -3.56219697      2.48817313
  H      0.74251344     -2.76306126     -1.07293045
  H     -0.07310813      1.10272420      0.11736074
  O      0.22010173      1.53383630      5.53642688
  H      0.12507525     -3.53181677     -2.26064393
  H     -0.94741196      0.71667786      3.07937058
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  H      2.25541261     -2.28852075      0.79063800
  H     -2.08028741     -0.09766902      3.78563376
  O     -5.03143719      1.14769983      1.72332770
  H      2.62564566     -1.67374113     -0.57112644
  H     -1.64340439     -2.80639045      0.98369457
  O     -4.98056275     -1.20312077      3.42002461
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  H     -1.59064018     -2.86661494     -0.54656443
  O     -1.50205632      3.62490456      1.13972606
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  H      0.99695635     -2.05731373      2.45307519
  O     -3.11128986     -0.29025547      5.27319827
  H     -3.55542215     -3.39799938      1.60472543
  H      1.85632502     -1.32304778      3.48315738
  O      0.24624821      2.24282194      2.88812917
  H     -4.35197488     -2.75282158      2.77302379
  H     -2.90338402      3.04980682      6.36326548
  O     -0.85362108      1.39994910     -0.37303163
  H      0.36448479      1.91518090      4.65765300
  H     -2.81427009      2.62272039      4.88042719
  O     -1.51377191     -0.05819179      3.00299670
  H     -0.66913728      1.81151488      5.78228813
  H      1.63160303     -0.07359130      1.54146394
  O     -2.20581960     -2.79881495      0.19297882
  H      2.06580486      0.03989554     -1.85152290
  H      2.11372312      0.62290420      0.24209313
  O      1.82880461     -1.56620171      2.55005067
  H      3.57142086      0.39164081     -1.95544177
  H     -2.76110030     -4.04133824      3.70235206
  O     -2.52015046      2.39865134      5.78151994
  H     -4.34063957      0.68468961      1.21925706
  H     -2.06360628     -5.16693937      4.50219600
  O      1.52764663      0.72336103      1.00123401
  H     -5.74736707      1.31802804      1.11604020
  H     -0.95267769     -1.74010154      2.73631809
  O     -2.01026982     -4.23863312      4.29297710
  H     -4.42829887     -0.91472016      4.16078083
  H     -1.01967336     -3.25294564      3.11522014
  O     -0.65319418     -2.62665016      2.47864603
  H     -5.14596175     -0.41247871      2.89702084
  H     -2.78267981     -1.08258932      0.36019673
  O     -2.88365639     -0.16350818      0.64109876
  H     -1.31452036      2.91108036      0.50796470
  H     -2.45028862     -0.09731150      1.50811550
          69
 Energy    -248.20971220140655     
  O     14.58341324     10.43516842    -16.64343636
  H     14.32752834     11.32534785    -16.87117652
  H     20.26250686      5.57791540    -16.14751518
  O     13.71089727      4.06865471    -16.41403137
  H     15.32326391     10.50770310    -16.01465452
  H     18.98548295      7.90066556    -16.68051421
  O     17.49424231      6.91556006    -11.76623713
  H     12.92467233      3.71959449    -16.82707374
  H     17.68066617      7.72414977    -15.85891354
  O     19.95778056      6.56159787    -17.64062428
  H     13.81073671      4.98480439    -16.73053042
  H     15.66206838      6.53751228    -15.89180841
  O     17.57631803      6.02213970    -18.72970925
  H     18.31302804      7.03390964    -12.26630290
  H     16.83707601      5.72764051    -15.25528770
  O     13.11072282      6.93708193    -10.23465386
  H     16.85561228      7.52037080    -12.17267539
  H     12.79362925      8.24763270    -14.68960290
  O     13.93981629      4.81855056    -13.67885169
  H     20.56601930      6.80138937    -18.33468575
  H     13.29763628      9.20614191    -15.81672853
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  H     19.12177747      6.30605459    -18.07462415
  H     15.45505182      2.66475647     -9.64104910
  O     17.70963359      4.11353000    -15.04624506
  H     16.95405645      6.75401936    -18.76128966
  H     14.54250820      3.61701898    -10.45302012
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  H     17.10459485      5.25324045    -18.37331205
  H     13.59216088      7.23593802    -16.57315433
  O     16.38670533      3.85841874    -17.48077800
  H     14.04482958      6.77654127    -10.01031266
  H     14.77858688      7.21042445    -17.57926750
  O     20.34179337      5.11585482    -15.29724002
  H     12.72016667      7.37586868     -9.48365988
  H     19.23676225      7.88576675    -14.32863698
  O     18.33042013      8.38156246    -16.16203362
  H     13.85653075      4.46677718    -14.57262932
  H     19.89958532      6.53259978    -14.07525483
  O     16.43274863      6.60151833    -15.31450559
  H     14.85742494      4.70009933    -13.39834491
  H     16.89016632      5.28281611    -12.30938315
  O     12.74626872      8.43493579    -15.63595294
  H     14.80462964      8.16905847    -13.11308698
  H     16.26786766      3.96060157    -11.78555055
  O     15.46362124      3.44777590    -10.18404726
  H     15.98770385      7.72232025    -13.99505300
  H     16.41652823      6.56662552    -10.25878476
  O     14.20142511      6.64853190    -17.04940528
  H     17.39235714      4.06780236    -14.13253393
  H     15.71716785      5.31167650     -9.70057019
  O     19.53328146      7.30244508    -13.62351499
  H     18.64318821      4.35546052    -15.03440935
  H     13.37362203      6.53021543    -13.30279941
  O     16.54062154      4.42340118    -12.58694048
  H     12.87236817      5.08454842    -10.74440704
  H     13.01593563      7.36547809    -12.05157749
  O     15.69697139      6.27626351     -9.68304362
  H     13.17481223      4.30263153    -12.03511406
  H     17.41596221      9.89297587    -15.35742010
  O     13.14949169      7.42505233    -13.00574954
  H     15.46714804      3.77399926    -17.20734446
  H     16.36561554      9.81237020    -14.23484388
  O     16.69586741     10.38391549    -14.94391223
  H     16.90034836      3.78037580    -16.66442129
  H     16.87516925      8.53644473    -17.55357413
  O     16.07054112      8.47698945    -18.08215706
  H     21.16913943      4.64041207    -15.31600397
  H     15.50587720      9.19151019    -17.75595497
          69
 Energy    -248.20968692803268     
  O     10.55021025     13.42305917    -10.57816141
  H     10.39917703     12.98564887    -11.42477969
  H     12.25715474     12.59844714    -13.10714127
  O     11.81627705      7.83352717    -16.11059745
  H     10.39189828     12.76761655     -9.88924907
  H     15.61964893      8.75574442    -11.21438481
  O     11.27020399      9.47574594    -10.00680614
  H     11.64251439      7.11566793    -16.71286554
  H     16.38057683      9.97174257    -11.83069212
  O     13.19208581      8.40148382    -13.72716698
  H     10.95097342      8.19250782    -15.84181642
  H     14.83561330      6.37768769    -11.87948848
  O     12.57524168     10.58248447    -16.54340375
  H     10.88215893     10.08108525     -9.36482566
  H     14.04981317      7.61029464    -12.37924891
  O     10.72151609      9.32634240    -12.67890431
  H     12.04421312      9.93890821    -10.37064814
  H     14.36242166     15.85146749    -12.15882670
  O     14.20591380      9.57196247     -7.22003947
  H     13.68708906      9.19848253    -13.96940478
  H     13.89749559     14.79637591    -11.12512376
  O     13.45298593     10.89012677    -10.91278557
  H     12.78600556      8.06799247    -14.53768964
  H     13.72980828      7.51686228     -9.90467365
  O     13.47779267     11.92671630     -8.35809666
  H     13.34290973     10.69190283    -15.96708937
  H     12.47253990      8.20243314     -9.34378620
  O     16.58524010     13.13659009    -11.78650288
  H     12.39312216      9.63517092    -16.55646813
  H     16.89985819     11.79484851    -12.79943130
  O     10.67543916     11.62944253     -8.29673273
  H     11.58730570      9.02490002    -12.98489246
  H     17.93452214     10.97177324    -13.60534614
  O     13.22338734     12.61716798    -13.08567315
  H     10.72997796      9.25639761    -11.71493273
  H     10.30223635     12.13383254    -14.05408871
  O     15.94700535      9.64486919    -11.03096524
  H     14.89521554      9.19057656     -6.68293570
  H     10.55718512     11.14347570    -12.90136541
  O     14.57227987      7.26231618    -11.63738609
  H     13.92802549      8.87639930     -7.83915380
  H     15.52599385     11.99923610     -8.80315464
  O     14.34887494     14.91531692    -11.98136794
  H     13.39128471     11.52814678    -11.63370386
  H     16.28976095     11.01462538     -9.70307626
  O     13.29276813      7.76170245     -9.08207263
  H     14.31821205     10.46422540    -10.96792948
  H     14.06745956     11.43115189    -14.05127369
  O     17.03654594     10.95948522    -13.28620496
  H     13.47551031     11.64694404     -9.28818022
  H     15.44458187     10.74881615    -14.22932816
  O     10.50920656     12.08713807    -13.11203776
  H     13.73250795     11.14611113     -7.84016733
  H     11.08128358     11.43296909    -16.15569411
  O     16.34086190     11.89291363     -9.30149623
  H     16.55404546     12.82401025    -10.87031336
  H      9.91352449     12.33531454    -16.61841213
  O     14.52193805     10.70324086    -14.50479078
  H     15.89457472     13.80205900    -11.87358087
  H     13.24354298     13.73451015     -9.09364278
  O     10.21285706     11.78942014    -15.89625727
  H     10.27492464     11.80931700     -7.44948826
  H     12.10057776     14.16290742    -10.03973115
  O     12.98663063     14.40931353     -9.72987172
  H     11.62646294     11.79282097     -8.19417386
  H      9.59942519      9.98066450    -15.50117194
  O      9.57050062      9.06108115    -15.21041022
  H     13.52719340     13.48428558    -12.79094858
  H      9.78016068      9.08274877    -14.26536965
          69
 Ord_Energy   -248.209595    
 O   -6.60726929      0.177779764       2.61971903    
 H   -7.00386858      -2.75733992E-02   3.47394133    
 H   -5.85521173     -0.428178400       2.52880526    
 O   -2.94718337      -5.00637484       1.18508470    
 H   -2.79965830      -5.86962986       1.59742641    
 H   -3.86777663      -4.75865889       1.36211061    
 O   -3.44387007       1.51180100       4.66164827    
 H   -3.99239016       1.88583899       3.94799852    
 H   -3.13527250       2.24581242       5.18612051    
 O   -5.39624882      -4.15828276       1.97115815    
 H   -6.28973579      -4.01007032       1.63905251    
 H   -5.48060274      -4.51464224       2.86765885    
 O  -0.523275912      -1.87507069       1.68845737    
 H  -0.986854851      -2.17004657      0.893922031    
 H  -0.998281777      -1.08491766       1.98154616    
 O   -7.35086727     -0.773413718       5.19988012    
 H   -8.05092525     -0.520782948       5.79538441    
 H   -7.56616306      -1.66714728       4.87439632    
 O   -2.52269125      -6.05758095       6.34537029    
 H   -2.80695271      -5.13766813       6.25658655    
 H   -1.71067202      -6.12746096       5.82677031    
 O   -4.39867210      -7.46723747       4.97468138    
 H   -4.65216494      -8.27722454       5.40913963    
 H   -3.73707461      -7.03560495       5.54578972    
 O   -4.90285254       2.36229849       2.53294301    
 H   -5.62676239       1.71879315       2.53251100    
 H   -4.44538260       2.23468852       1.69383156    
 O   -7.81462669      -3.23021078       4.21174097    
 H   -7.98166323      -3.31780529       3.26517630    
 H   -7.15445185      -3.89815116       4.43860102    
 O   -3.29604888       1.47093141      0.298984945    
 H   -2.62453270       1.94087958     -0.190057352    
 H   -2.84169579       1.00994515       1.02435565    
 O   -2.21569800      -2.88864279     -0.409342945    
 H   -2.45385051      -3.68593287       9.30703431E-02
 H   -1.92054462      -3.19149780      -1.26559699    
 O   -4.45442247      -1.61500764       2.71746325    
 H   -4.76378012      -2.47756767       2.41718841    
 H   -4.49899673      -1.58943903       3.68277502    
 O   -5.60314655      -4.95904112       4.59797525    
 H   -4.87527514      -4.43275785       4.96019220    
 H   -5.35187101      -5.88400745       4.70950270    
 O   -4.55430412     -0.980365455       5.45311642    
 H   -4.17086411     -0.110077508       5.28243256    
 H   -5.51416588     -0.870691240       5.49204254    
 O   -4.45537138      -1.01818502     -0.635602415    
 H   -3.72350073      -1.63785887     -0.540383577    
 H   -4.10110044     -0.147671103     -0.419329882    
 O  -0.446111470      -6.03801918       4.40442181    
 H  -0.750235856      -5.18757582       4.04352617    
 H   0.505849421      -6.03478432       4.34884405    
 O   -7.08961535      -1.24998796      0.247886926    
 H   -6.20298195      -1.21201980     -0.140040204    
 H   -7.09571075     -0.606168807      0.967294097    
 O   -3.39635277      -3.50842094       5.48007393    
 H   -2.76772356      -3.48641634       4.74380112    
 H   -3.70179844      -2.60679102       5.64113760    
 O   -2.52816510      -7.20232677       2.78140807    
 H   -3.22455907      -7.37714815       3.42556834    
 H   -1.74551058      -6.98157406       3.30123448    
 O   -1.60103202      -3.78085732       3.33647871    
 H   -1.10847318      -3.08068585       2.88612843    
 H   -2.11554217      -4.22185326       2.64679122    
 O   -8.02696896      -3.49827313       1.35632968    
 H   -7.74645138      -2.68009472      0.905154943    
 H   -8.71634007      -3.88473034      0.824048400    
 O   -2.32612371       8.66022408E-02   2.47257090    
 H   -2.48893666      0.605685771       3.26792359    
 H   -3.03085017     -0.582018614       2.44496298    
          69
 Energy    -248.20941147963853     
  O     16.37160959     10.55015226    -14.24924081
  H     15.79056649      9.98548053    -14.77832257
  H     18.85637504      4.51388266    -15.15003925
  O     14.46484777      6.59065525     -8.97788489
  H     17.26668944     10.18722584    -14.26887113
  H     15.41244298      7.60950693    -11.72088066
  O     12.30619783      7.96885642    -10.24304275
  H     14.85586345      7.44077743     -8.70586556
  H     15.12268992      6.47315401    -10.70816428
  O     14.58708576      8.83794602    -15.45542570
  H     14.51794614      6.00779748     -8.22580057
  H     18.79046324      8.32723797    -15.33748095
  O     18.97958006      9.61159087    -13.99336994
  H     12.94522921      7.39143664     -9.80832051
  H     17.86094625      7.77372074    -16.46054670
  O     18.09892526      6.08087155    -12.14980952
  H     12.45900900      8.84613161     -9.87295515
  H     18.16387293     13.04046786    -10.14875993
  O     11.59450188      7.52459266    -12.82971717
  H     14.41386093      8.05499741    -14.91341585
  H     17.82063301     11.60635019    -10.60790476
  O     15.66575845     12.73118394    -12.63807545
  H     15.04761089      8.52390760    -16.24360391
  H     15.95418057      6.77928430    -16.98330831
  O     12.46603162     10.02389854    -13.91681394
  H     19.13210307      9.13950973    -13.16529870
  H     16.08246990      7.47856442    -18.35960930
  O     13.44680772     11.36509344    -11.74394661
  H     19.27262262     10.52240242    -13.84377609
  H     14.64561225      9.92024257    -11.78682220
  O     13.09443820     10.52952068     -9.21298279
  H     18.14422695      5.68846444    -13.02991706
  H     15.80719923      9.70478101    -12.76694612
  O     18.22376675      5.14007613    -14.80755851
  H     17.16037388      6.18720944    -11.94206132
  H     19.25396204     12.99939533    -13.85742371
  O     15.43714566      6.64640356    -11.60305171
  H     10.69582344      7.20542303    -12.83424474
  H     19.00966284     12.37574156    -12.47858313
  O     18.63124445      7.57089579    -15.91681250
  H     11.83334380      7.67295939    -11.89751894
  H     16.71386888      9.72782605    -10.80728516
  O     17.99031189     12.50987689    -10.92246863
  H     16.41152580     12.77600595    -12.03004406
  H     18.18950961      9.34924011    -10.53917547
  O     16.16560312      7.62488292    -17.42129003
  H     15.92010319     12.08325359    -13.31188450
  H     14.51753820      6.44922037    -13.14386669
  O     15.41487547      9.36295942    -11.95182767
  H     12.07577050      9.20223328    -13.59307952
  H     13.09700779      6.76352722    -13.65267721
  O     19.48050808     12.24613597    -13.31481366
  H     13.12606417      9.75973900    -14.56913303
  H     20.29133869      8.10240955    -11.21866976
  O     17.46603320      9.90427651    -10.22012423
  H     13.01225363     11.00046782    -12.52985714
  H     18.96058302      7.47336365    -11.70133544
  O     13.98449436      6.52572293    -13.94818014
  H     14.14996565     11.96345046    -12.03692088
  H     14.68636129      9.65549631     -8.62830393
  O     19.40331327      8.31686382    -11.49177901
  H     12.55186641     11.12292184     -8.70014352
  H     16.19599739      9.38852347     -8.87038701
  O     15.41770204      9.06632671     -8.40021632
  H     13.17743565     10.92251919    -10.10025970
  H     16.44212128      5.18872986    -15.50015750
  O     15.61990679      5.41074461    -15.95507749
  H     18.43605972      6.00256149    -15.20987463
  H     14.98282328      5.65750464    -15.27094281
          69
 Energy    -248.20934915039626     
  O      1.39640134     -3.33732360     -1.70038605
  H      0.64763750     -3.08781367     -1.12502856
  H      1.00208794     -1.17005984      2.70890181
  O     -0.54984753      1.47042407      2.21650640
  H      1.70944150     -4.18437704     -1.39633275
  H      3.37130694      2.26402484      2.68660801
  O      3.99768189      2.46610334      0.96282180
  H      0.16183551      1.39024220      1.56081291
  H      2.76141894      1.13204984      3.53828336
  O      0.07430107      0.08340732     -2.90676563
  H     -0.31776759      2.24537734      2.73966213
  H      0.39045323      2.65552920     -0.59877541
  O      4.30445992      0.42226870     -2.59889775
  H      4.66536811      1.90863570      0.54613634
  H     -0.04211840      3.26019136     -1.95490820
  O     -2.22745760     -0.51168046     -1.45264692
  H      3.93652385      3.28550797      0.45432497
  H     -1.86393013      1.60874704      0.90618763
  O     -0.54778486     -2.42008480     -0.11805378
  H      0.78509191     -0.16312837     -2.30138909
  H     -1.72421058      2.39416927     -0.39934940
  O      2.74507363     -0.77000904      3.41270132
  H     -0.75821850     -0.12800998     -2.46216263
  H      0.31765402      1.74574452     -3.47662453
  O      3.42752074      4.73666576     -0.55646089
  H      3.94119863      1.31559516     -2.71437663
  H      0.14993090      2.85114206     -4.54603238
  O      4.00527184     -1.15238771      1.03027317
  H      4.23077615     -0.05849090     -3.43529280
  H      4.06422425     -1.29869548     -5.71725656
  O      0.69818673      3.73371325      3.37924567
  H     -3.11668960     -0.74934305     -1.70112816
  H      2.92247976     -1.46641435     -4.70059350
  O      0.13831752     -1.24340060      2.28782164
  H     -2.29489197      0.28441602     -0.89492040
  H      2.29367332      1.81677528      0.56083229
  O      2.84674754      2.09133975      3.48052622
  H     -1.18919346     -1.81550753     -0.50626549
  H      1.63283021      0.62594030     -0.17210642
  O     -0.19753705      3.31251483     -1.00558868
  H     -0.31613893     -2.06229904      0.75239260
  H      2.05743581     -1.67113512     -1.41167677
  O     -2.27084873      1.72732471      0.03704083
  H      3.12192860     -1.34251399      4.07646723
  H      2.97078781     -0.41662019     -1.74167151
  O      0.49026171      2.68297322     -3.67123747
  H      3.24461674     -0.92830670      2.59278829
  H      0.94347031      4.60525011      1.68959389
  O      3.79516015     -1.06100248     -4.83418038
  H      3.84201407      5.58957437     -0.65477968
  H      0.50568888      4.53045493      0.20444654
  O      1.44351285      1.45954634      0.27505493
  H      2.60220760      4.88235911     -0.05884577
  H      2.28625389      2.90921312     -3.10411242
  O      2.23491937     -0.74397813     -1.20333246
  H      3.33611216     -1.13380752      0.33632594
  H      3.22531417      3.54721233     -2.04991380
  O      1.11396230      4.97190561      0.81396423
  H      4.73184145     -0.61702665      0.69009673
  H      0.75069620     -1.34677484     -4.01157621
  O      3.18363491      2.88660497     -2.75097708
  H      0.59241751      4.19799330      4.20520921
  H      1.30015294     -2.68633354     -3.50793450
  O      1.30496609     -2.09367581     -4.27026713
  H      1.48294342      3.16362422      3.47698599
  H      5.32872135      0.55153255     -1.17886925
  O      5.76215782      0.65366618     -0.31339284
  H     -0.26238265     -0.37040069      2.39300543
  H      6.70188644      0.66145518     -0.47431157
          69
 Energy    -248.20927163001176     
  O     -7.57659124      1.45140744      6.63305958
  H     -8.41665800      1.68758728      7.06097051
  H    -11.60697274      0.38863690      3.52650203
  O     -4.94037501      3.74016360      4.89810643
  H     -7.54059463      1.92486812      5.78571210
  H     -5.20329504      3.06490084      1.50287455
  O     -5.33109985      0.08999756      5.45895131
  H     -5.79464571      3.39104934      4.59567976
  H     -4.42650365      1.99698670      2.33394903
  O     -7.71096069      6.35172551      5.66920050
  H     -4.28551904      3.07525306      4.66050598
  H     -8.37344704     -0.98904887      4.68367171
  O    -11.51034568     -1.38598357      6.27352948
  H     -5.81764548     -0.52913945      4.90087908
  H     -8.60218024      0.09665698      5.76366707
  O     -7.41490526      2.68062455      4.18829730
  H     -5.98688340      0.50858780      6.03007060
  H    -12.79167272      2.34079779      5.73522992
  O     -6.56479803      4.29671214      7.08771289
  H     -7.93245683      7.08346253      6.23928346
  H    -13.15327414      1.35526687      6.86548737
  O    -10.02675869      2.13811020      7.49658708
  H     -7.35146213      5.65198446      6.24222014
  H    -13.38843836      0.43840014      4.83326888
  O    -12.16943802      0.40746536      8.21862773
  H    -10.62089021     -1.19519866      5.94578593
  H    -14.02116839     -0.57906782      3.85256404
  O     -9.32432724      4.73832576      4.04437382
  H    -12.10930765     -1.18530060      5.54450077
  H     -8.01677323      1.07354807      1.56723221
  O     -5.86815602      4.82235252      1.25589927
  H     -8.10162165      3.34661695      4.05687057
  H     -6.45862314      1.20622809      1.78131109
  O    -10.74039003      0.78927673      3.37465726
  H     -7.41955877      2.06246921      3.44954082
  H     -6.69489667     -2.19473413      3.11524471
  O     -5.00687971      2.12172939      1.57330870
  H     -5.82630897      4.13347957      6.48231779
  H     -7.03395415     -0.68458065      3.02003314
  O     -9.05779906     -0.52198211      5.17949795
  H     -6.93583480      3.42924995      7.26794868
  H    -10.62562364      3.74580692      4.75056412
  O    -13.46494683      1.70750436      6.02206299
  H    -10.71009144      1.57789330      7.88191959
  H    -11.02631444      2.28348888      4.47228269
  O    -13.18740226     -0.27498993      4.19954825
  H    -10.42063567      2.52476191      6.70247414
  H     -7.75246810      4.55872241      1.27023586
  O     -7.26606941      0.75808768      2.08284500
  H    -12.43775826     -0.01750152      9.02851704
  H     -8.99215162      3.62394438      1.20139243
  O     -6.92567780     -1.43110375      3.63695253
  H    -11.92457627     -0.30052194      7.59643879
  H     -4.14003006      0.97774759      4.53186060
  O    -11.17551540      3.02058752      5.07817316
  H     -9.15973724      4.84669267      3.09532855
  H     -2.66057767      1.16004094      4.11838100
  O     -8.70749531      4.52205218      1.40705447
  H     -8.82320526      5.39926671      4.53725359
  H     -6.37197382      6.36524313      4.24804353
  O     -3.53550739      1.51598308      3.98943444
  H     -5.49842745      5.37596886      0.57214606
  H     -5.23484714      5.35043877      4.10149954
  O     -5.67363413      6.08509242      3.64663088
  H     -5.80888808      5.33030005      2.08435788
  H    -10.09382365      1.47153631      1.86598160
  O     -9.64642234      1.80493600      1.06905838
  H    -10.11626370      0.34260462      3.96445253
  H    -10.21473569      1.60211190      0.32991404
          69
 Energy    -248.20923775492412     
  O     -0.30986106      2.14360757     -1.83509833
  H      0.32644306      1.47817849     -1.53193771
  H     -1.12457664     -0.26061591      3.26635237
  O      0.95140415      4.48654802     -0.68422729
  H      0.05351697      2.98957934     -1.55553556
  H      0.82330062      0.38814452      3.01649218
  O      3.73462452      2.57842359      2.45877856
  H      1.87265099      4.26215554     -0.48160262
  H      0.92913046      0.04604967      4.52529220
  O      1.18764215      1.64452695      1.83198829
  H      0.96411194      5.35578776     -1.07959153
  H      3.92324519     -0.58965666      1.86482067
  O     -2.62046968      0.88634664     -1.21157343
  H      3.78807572      3.10971306      1.65546513
  H      5.44972858     -0.45227254      2.05515865
  O     -2.66452612      2.06441210      1.32412061
  H      4.15356301      1.72617810      2.27245462
  H      3.12783631      3.10371979      4.15998876
  O      1.43852629      0.38165962     -0.63666093
  H      2.04856260      1.98714069      2.10408191
  H      2.30947037      2.51184671      5.33300540
  O     -1.70149259     -1.32728286      0.39623708
  H      0.56961409      2.38671029      1.83199800
  H     -3.52286766      2.97503940      2.77183484
  O      3.64142651      3.83148986     -0.14377822
  H     -3.20611589      0.86119769     -1.96322845
  H     -2.95843812      3.80971218      3.94036394
  O      0.77855229     -2.28091262     -0.07166032
  H     -1.81704149      1.35905766     -1.49473150
  H      1.53319387      0.71712353      6.92240366
  O     -1.19739316      4.40584753      4.25870403
  H     -2.78514035      1.71746846      0.43239979
  H      0.47424965      1.42642436      6.04147706
  O     -2.02496903     -0.14622048      2.93095826
  H     -2.40617062      1.31405724      1.87957233
  H     -4.32979564      0.73249377      5.53507849
  O      0.65846477     -0.31086615      3.67008729
  H      1.32540298      0.77563929      0.24217061
  H     -3.70762484      1.79170037      4.59310754
  O      4.67669275      0.01776023      1.75407689
  H      1.24900605     -0.55979938     -0.54942765
  H     -1.09621603      2.92314695      5.35370432
  O      2.68809354      3.32957298      4.98831711
  H     -2.04041444     -0.64382205     -0.19364019
  H     -1.89800984      1.65561712      5.72068671
  O     -3.71685664      3.27274140      3.67037029
  H     -1.89537561     -1.03163242      1.29574667
  H      3.16818628      0.89144280     -0.87560792
  O      1.35928634      1.01381220      6.03337949
  H      3.81652125      2.92024348     -0.44406320
  H      4.41491696      0.76590694      0.01069704
  O     -3.54204204      0.94192229      5.04137620
  H      4.38240825      4.36070567     -0.42909072
  H     -1.31433682      3.24514566      1.39045746
  O     -1.06961149      2.11724665      5.88792289
  H      0.71564625     -3.08794567     -0.57488147
  H     -0.13588480      4.11241150      0.81464235
  O      4.06202557      1.24302738     -0.75027332
  H     -0.13456218     -1.99911753      0.12075978
  H      2.00756341     -1.96007885      1.35157650
  O     -0.54114697      3.78194435      1.62404072
  H     -0.91758457      4.25656435      3.34495051
  H      1.91755484     -1.31286242      2.74189344
  O      2.54674293     -1.63415549      2.08175303
  H     -0.48131312      4.90231278      4.68036593
  H      1.39882383      6.00238231      6.09192049
  O      1.06796868      5.51254686      5.34409394
  H     -2.58258877      0.08326908      3.68444358
  H      1.68202459      4.76857118      5.21961178
          69
 Energy    -248.20920190946475     
  O      1.21931835      0.84898616      4.93977370
  H      1.84545409      0.95803195      5.65127473
  H     -6.21800172     -1.61209617      4.55516105
  O      1.46351127     -0.82506338     -2.77006438
  H      0.61206233      0.13658858      5.21074841
  H     -1.48653288      1.54783737      2.01905832
  O     -0.55617102     -1.06784309      5.65468497
  H      0.58183433     -0.62941168     -2.42675532
  H     -0.56760100      2.35629680      1.08891528
  O     -0.82160611     -0.31131974     -1.15865999
  H      2.01798639     -0.07837228     -2.50949775
  H     -3.23192896      0.91055337      5.16441995
  O      2.27392003     -2.95998356     -1.27487289
  H     -1.44659205     -0.70125720      5.55743514
  H     -3.88825568     -0.48484502      4.88138724
  O      3.54881637     -0.84101859      0.24948889
  H     -0.61889242     -1.97943562      5.34850907
  H     -2.34345803     -0.11229861      3.30486734
  O     -4.02946936      2.63601326      2.46757025
  H     -0.29012920      0.33132715     -0.66566796
  H     -1.27428991     -0.83137061      2.42591156
  O     -3.39565925     -3.30624878      3.29738246
  H     -1.73770152     -0.18059159     -0.89365846
  H      0.52087123     -3.14004820     -0.59254616
  O     -0.70227361      2.90352967      4.40815644
  H      2.77348748     -3.59723592     -1.77899565
  H     -0.53512515     -2.02023804     -0.61525308
  O      3.05918526      1.17726534     -1.49824870
  H      2.02011052     -2.25071550     -1.89307114
  H      1.72287939      0.35529634      3.20030852
  O     -5.49416980      0.30332903      2.11925676
  H      3.05769466     -0.62768221      1.05449016
  H      1.23029318     -0.81978499      2.33092666
  O     -5.35232007     -1.39193418      4.22229916
  H      3.15964383     -1.64502328     -0.11464815
  H     -3.47202393      3.39392966      5.90720095
  O     -1.30670405      2.44811206      1.70190769
  H     -3.91283432      2.77558890      3.41582957
  H     -2.32616006      2.86456931      5.00905473
  O     -3.04887948     -0.02495780      5.00849605
  H     -3.14730251      2.74868266      2.09088504
  H      1.56472530      1.56968942     -0.41877157
  O     -1.93919099     -0.13212415      2.42856056
  H     -4.10464807     -2.72931969      3.59904008
  H      1.16757600      1.00111123      0.96735940
  O     -0.36179788     -2.91197193     -0.27637478
  H     -3.35223839     -3.22307600      2.33371462
  H     -1.88389159     -3.54062127      4.06327941
  O      1.79854288     -0.03375682      2.32143170
  H     -0.02190459      2.25147063      4.61301615
  H     -0.88906727     -4.51135087      4.74648282
  O     -3.27006752      2.75525419      5.22932205
  H     -0.79906516      2.89984986      3.44621475
  H     -0.22185898     -2.73075458      3.01511284
  O      0.82891232      1.48586382      0.19912925
  H      3.83869122      1.67227823     -1.73392135
  H     -0.10366641     -2.51379895      1.46179348
  O     -0.97951381     -3.62049710      4.42091153
  H      3.34246514      0.47767347     -0.88069126
  H     -2.22617811     -3.12676392      0.19571287
  O      0.03963837     -2.10704589      2.32676740
  H     -5.06366400      1.16039007      2.26604949
  H     -3.34134306     -2.06991180      0.21181758
  O     -3.11090532     -2.94562558      0.53806137
  H     -5.06933249     -0.06274980      1.33971588
  H     -3.63447448      0.86150589     -0.03061037
  O     -3.38057521     -0.05192089      0.09992324
  H     -5.48415392     -0.79035982      3.46766027
  H     -2.91317266     -0.08740587      0.95499725
          69
 Ord_Energy   -248.208740    
 O    7.89417601      -5.71394873     -0.722962201    
 H    8.68050861      -5.41632318     -0.249471843    
 H    7.83883858      -5.16470528      -1.51861119    
 O    1.54502165      -5.99650002       1.13048303    
 H    2.27934361      -6.34477472      0.606201649    
 H    1.91816854      -5.68084288       1.96296358    
 O    8.44405937      -2.95956588       2.18539381    
 H    7.93636179      -2.27222776       1.73550117    
 H    8.05831814      -3.03125763       3.06551933    
 O    4.32886124      -3.67725396      -4.06846952    
 H    3.65589452      -3.85513163      -3.39775848    
 H    4.85300207      -2.95128489      -3.70736027    
 O    4.64365196      -2.64061856       2.15741601E-02
 H    3.88880730      -2.48062849      0.604009032    
 H    5.06079865      -3.47140288      0.304433018    
 O    2.35806894      -2.50400782       1.61807215    
 H    1.64948654      -2.78884745       1.02847874    
 H    2.44522476      -3.19571590       2.29077935    
 O    2.55515289      -4.62424326       3.41967893    
 H    3.52180767      -4.72229099       3.50114989    
 H    2.19320774      -4.71702480       4.29651546    
 O    6.96069717      -2.89291453       4.60529184    
 H    7.25569725      -2.75081706       5.50024462    
 H    6.53392172      -2.06554842       4.31497526    
 O    8.08684921     -0.415977091      -1.47013867    
 H    8.54117775      0.360096872      -1.78593528    
 H    8.72229958      -1.15404785      -1.51214063    
 O    3.12499332     -0.253414214       3.08877277    
 H    2.51667809      0.472487330       2.97157168    
 H    2.76998448     -0.986924112       2.56540346    
 O    10.0212402      -4.38833380      0.555329502    
 H    9.48029232      -3.88946652       1.19561803    
 H    10.8173904      -4.65022993       1.00883913    
 O    5.21050453      -4.81066227       3.49436736    
 H    5.82530260      -4.19398022       3.90855074    
 H    5.49988365      -4.93204784       2.57978559    
 O    5.94768524      -2.00084114      -2.41778159    
 H    5.46382856      -2.16665220      -1.59818435    
 H    6.61850214      -1.33835340      -2.20900440    
 O    6.01701021      -5.75883245      -4.52043867    
 H    5.97100115      -6.06497908      -5.42210436    
 H    5.35232735      -5.05287838      -4.42753220    
 O    6.79814577      -1.01589954      0.958945632    
 H    7.25232792     -0.696211338      0.169716507    
 H    6.02638149      -1.51256800      0.659513652    
 O    5.84612894     -0.657129884       3.59286642    
 H    6.22032022     -0.597653091       2.70440459    
 H    4.90205336     -0.472850293       3.49915648    
 O    9.65973377      -2.60564780      -1.65127599    
 H    9.89558887      -3.16573715     -0.901906848    
 H    9.15316105      -3.16897130      -2.25220251    
 O    5.64936399      -5.05507517      0.749536097    
 H    4.96476698      -5.62379217      0.370617241    
 H    6.48250341      -5.28162146      0.315512598    
 O    3.68725014      -6.47356319     -0.626714349    
 H    3.35955691      -5.72328281      -1.14049363    
 H    4.37997293      -6.89539289      -1.15745664    
 O    7.70957232      -4.11552334      -2.99613738    
 H    7.27790117      -4.70636988      -3.62502313    
 H    7.07711887      -3.40815973      -2.80597782    
 O    5.87631321      -7.27256107      -2.07522345    
 H    5.91613293      -6.85516310      -2.94456053    
 H    6.64531946      -6.94927073      -1.58970106    
 O    2.80748534      -4.01894522      -1.73949099    
 H    3.42262602      -3.51612520      -1.19106507    
 H    1.93853164      -3.91534901      -1.33160615    
 O   0.533815444      -3.82128930      -9.90377218E-02
 H   0.802444160      -4.65195751      0.337637663    
 H  -0.406321734      -3.87356234     -0.244787946    
          69
 Energy    -248.20852013893114     
  O     -3.42830795      0.65916360      3.85922111
  H     -3.35458964      0.76333723      4.81799292
  H     -1.29310217     -3.68569712      7.12448633
  O     -2.08686977      3.41790298      6.90056764
  H     -3.41304570     -0.29508405      3.68317466
  H      0.09744060     -0.72862365      6.33270737
  O      3.12040786     -1.53532662      1.51191440
  H     -2.41538117      4.13712033      7.43319551
  H     -0.70018121     -1.38084871      7.48932572
  O      2.19939356      1.08296504      1.08367606
  H     -2.13021945      3.71197466      5.97302068
  H     -2.00679637     -5.19251898      5.36096825
  O     -0.31751094     -0.12445799      0.88533187
  H      3.38771602     -1.31256905      2.40858874
  H     -0.91731593     -4.20511912      4.92243185
  O     -3.12914209     -2.03456243      3.76529058
  H      2.97343375     -0.67175573      1.10020848
  H     -0.34924005      2.63328187      7.06636297
  O     -3.49213772      2.79282815      2.17195028
  H      2.04256222      2.01818355      0.91644325
  H      0.23028614      1.21398980      7.24159696
  O     -2.08450284      4.13094365      4.29328507
  H      1.33907828      0.65461486      0.96116305
  H     -3.03742762     -2.39010783      7.05691946
  O      0.46535681      3.37326803      3.51459213
  H     -0.12335364     -1.06772140      0.87184372
  H     -3.64626702     -1.04327925      6.64018325
  O      1.11171264      3.69422579      0.80819182
  H     -0.49907345      0.11789004      1.80742952
  H     -0.36088906      1.72405823      3.47493436
  O     -0.43430859     -3.07210613      3.61784189
  H     -2.24540006     -2.40452998      3.66500218
  H     -1.64030381      0.82370599      3.63443441
  O     -1.40167616     -3.06517892      7.86582024
  H     -3.37283891     -2.14888507      4.69655135
  H      0.81047784     -3.41093920      0.33827851
  O     -0.42519885     -0.53131394      7.12409749
  H     -3.56507045      2.00322246      2.73617522
  H      1.60579599     -2.42822079      1.22745824
  O     -1.25230880     -4.70415446      5.68452595
  H     -4.37152885      2.98008646      1.85221874
  H      1.78351795      2.47034044      6.01226904
  O      0.47631505      2.13489577      7.08380309
  H     -2.62544170      3.79505096      3.57016311
  H      3.11653478      3.22723840      5.80633289
  O     -3.72511538     -1.99663014      6.50761185
  H     -1.16528338      3.99876163      4.02005838
  H      2.98942065      1.18300962      4.32548786
  O     -0.69527017      0.81922100      3.43882346
  H      0.78632341      3.56454023      2.62435532
  H      2.78484704      0.71972467      2.86838822
  O      0.71849475     -2.78797644      1.05494640
  H      1.22471439      3.22913951      4.09285479
  H     -1.07107301      1.54401238      0.36963233
  O      2.47126158      2.68833978      5.35621835
  H      1.25693511      4.43651044      0.22852229
  H     -2.03450385      2.61155310      0.94139353
  O      3.08072135      0.42079550      3.73984881
  H      0.23667954      3.32578049      0.58331819
  H     -2.72724138      1.66922671      6.78503557
  O     -1.26958017      2.48995517      0.36611520
  H      0.07914212     -2.38408484      4.06686374
  H     -2.03292480      0.29069760      6.73400964
  O     -2.87663490      0.73927111      6.57596182
  H     -0.09509826     -3.11111013      2.71664571
  H      1.76238356     -0.61319491      4.49275242
  O      0.88752458     -0.93592273      4.73976553
  H     -1.34586382     -3.58141268      8.66572440
  H      0.26655395     -0.32152748      4.31402872
          69
 Energy    -248.20845100284873     
  O     10.60568394      9.04008745     -9.26022893
  H     11.18512071      9.18016082     -8.50121472
  H     13.56738546     12.46499161    -13.92738570
  O     13.63242493      9.33708899    -17.12797739
  H     10.58990142      9.87827687     -9.74188018
  H     17.54052802      9.25948714    -10.15075661
  O     11.10034212      7.19877675    -11.16377827
  H     14.06813138      9.30088114    -17.97518780
  H     17.18725452      8.74568035    -11.57534920
  O     14.40558312      8.96975776    -14.44379104
  H     13.22143548     10.21723885    -17.05869506
  H     15.27580782      7.58075602    -11.79820458
  O     13.36721864     12.06336458     -7.71338893
  H     10.86937213      7.82359165    -10.45204387
  H     15.56765021      8.05011441    -13.23002523
  O     12.30997769     11.69776948    -16.78927652
  H     10.56765348      6.41932765    -11.03365860
  H     13.73865244      8.72633774    -10.75440683
  O     11.80841789      8.59984382    -13.49794670
  H     13.54017433      8.77002778    -14.05653327
  H     12.93616316      7.40567910    -10.81708103
  O     14.63139236      8.12794207     -8.02222984
  H     14.27054662      9.02937261    -15.39721736
  H     17.90596074     12.38501395    -11.97411867
  O     13.65781529     10.54614342    -10.91077278
  H     12.76186623     12.66076906     -8.17379878
  H     17.38936677     10.97798428    -11.58041504
  O     12.38737832      9.61846158     -7.11192516
  H     14.20948761     12.09995695     -8.18248310
  H     11.40295641     11.83892566    -13.78602876
  O     11.01761651     11.33668412    -10.80634207
  H     12.53842147     12.22532515    -16.01420745
  H     10.21246243     11.05930401    -14.39135609
  O     12.79680835     12.94873098    -14.27254587
  H     11.38075044     11.45953104    -16.67942935
  H     16.15325658     10.95596491     -8.90117932
  O     17.71974255      9.39339755    -11.08824309
  H     11.42729453      9.48556129    -13.43162331
  H     16.16523597     11.93381030    -10.09936716
  O     15.99445290      7.72343331    -12.42929225
  H     11.52549438      8.09803637    -12.72412728
  H     14.81957027     10.56798542    -13.73568652
  O     13.81547193      7.76498044    -10.65588552
  H     14.36302000      7.85095865     -8.90936762
  H     15.66808612     11.59208129    -12.87998462
  O     17.11173307     11.88920809    -11.79665662
  H     13.86998902      8.58538882     -7.64586302
  H     10.12130138      9.76543321    -16.22452373
  O     10.70689148     11.20137887    -13.57436430
  H     14.00314957     10.82877755    -11.76714510
  H      8.87849858     10.60504667    -16.61061692
  O     15.66908338     11.68761407     -9.31009369
  H     14.25813962     10.90585806    -10.24495447
  H     17.55164141      9.22909364     -7.57980855
  O     14.81401432     11.43461172    -13.30261285
  H     12.10378665      9.62816712     -6.20125422
  H     16.15785918      8.89986180     -8.16505729
  O      9.71247078     10.64709130    -16.15129702
  H     12.73175496     10.50934066     -7.30454208
  H     11.22839324     12.81055898     -9.77441167
  O     16.97343127      9.41166737     -8.31512132
  H     11.94601822     11.05205159    -10.80240751
  H     10.68120868     13.96888034     -8.92626830
  O     11.49050457     13.53086867     -9.17905541
  H     10.73242859     11.33033608    -11.72789025
  H     11.95357916      8.49662193    -16.62610950
  O     11.10630500      8.31950318    -16.19950387
  H     12.88177328     13.85199173    -13.97829750
  H     11.30532852      8.23348550    -15.25629826
          69
 Energy    -248.20835231355565     
  O     12.39808109     11.38843220    -14.91515571
  H     12.54540452     10.49116800    -15.23630452
  H     18.51441502      8.42860527    -12.98939076
  O     15.28066172      6.48961415    -13.00838689
  H     11.92134125     11.29899621    -14.08081268
  H     16.66216605     10.94132086    -16.43100047
  O     18.07004678     10.20997010    -12.49198453
  H     16.03579240      6.08681943    -12.56561274
  H     15.47037657     11.91753215    -16.34577886
  O     17.86063334     10.07582202    -15.33715860
  H     14.69708469      6.86318780    -12.33252871
  H     16.25418079      9.16139220    -14.73955060
  O     15.33012272      9.96537324     -8.95152310
  H     17.24589692     10.70757413    -12.59216921
  H     15.56069375      8.09611512    -13.82009532
  O     13.58414882      7.77616810    -11.24816073
  H     18.13615459     10.02843482    -11.54539518
  H     11.20749775      9.86250795    -12.69135124
  O     15.54659234     11.35322423    -12.95183255
  H     18.32009157      9.28679569    -15.65418290
  H     10.26615906     10.95503002    -12.12635831
  O     16.30854049      7.16474084    -17.09653310
  H     18.13692825     10.23084940    -14.42538211
  H     17.51235501      7.77257572     -9.56502347
  O     14.54714285      7.20702617     -8.67701917
  H     14.70593406     10.31016925     -9.60423237
  H     17.34279042      6.37270165    -10.20301210
  O     18.75953215      7.54824469    -16.07217771
  H     14.99662984      9.09340758     -8.70796363
  H     12.22306796      7.89942939    -12.58260214
  O     14.31255941      5.95005885    -15.58276840
  H     13.78950303      7.47980064    -10.35253898
  H     12.03118754      8.25945693    -14.08316058
  O     18.72449520      7.51808487    -13.23070433
  H     13.65795660      8.74083264    -11.23214340
  H     18.10736986      6.21773362    -12.32353002
  O     15.88884055     11.26175675    -16.91551506
  H     15.42401180     10.49461331    -13.39040464
  H     18.10049111      4.70358653    -11.98391848
  O     15.45181248      8.95752816    -14.24531760
  H     15.31228945     12.02600993    -13.60210885
  H     18.48706536     10.03000295     -9.06571526
  O     11.15756059     10.79965586    -12.42634238
  H     15.77418051      7.84590073    -17.51853660
  H     17.00344421      9.83856375     -9.45414782
  O     17.12149722      6.90155922     -9.42617574
  H     15.68354528      6.61872171    -16.59825026
  H     14.98850529      9.99126649    -17.67299042
  O     11.59223226      8.25258699    -13.22407970
  H     14.33861152      6.67268702     -7.91607923
  H     14.29924873      9.41782516    -18.93479012
  O     17.64530626      5.52394142    -11.81623393
  H     15.47560777      7.02015966     -8.90910392
  H     14.30595158     10.95945964    -11.71446691
  O     17.91828458      9.65049435     -9.73148783
  H     17.88884485      7.35553474    -16.46747921
  H     12.77983991     10.78572252    -11.46400314
  O     14.50201946      9.22294621    -18.02391964
  H     19.41705994      7.20540989    -16.67068067
  H     13.75055555     12.45508265    -15.02418265
  O     13.65230330     10.59085135    -11.10257085
  H     14.61742727      5.97904785    -14.66445619
  H     14.33922572     13.88299000    -15.15531273
  O     14.58002756     12.96747755    -15.04406371
  H     13.68617261      6.67607238    -15.66444912
  H     13.39375973      8.81434344    -16.55540150
  O     13.11686833      8.68293831    -15.63923240
  H     18.77843287      7.48095317    -14.19347402
  H     13.92893830      8.78808742    -15.11540845
          69
 Energy    -248.20805861606425     
  O     14.84456108      7.27893373     -9.44271551
  H     14.54737975      6.42156680     -9.76387768
  H     13.10344261      8.90614491    -15.58861411
  O     14.81760643      5.47191325    -16.33649206
  H     14.51458201      7.91732264    -10.09413015
  H     16.79659505      7.67187691    -18.47560574
  O     17.41865349     10.42868401    -11.30465827
  H     15.25141426      6.11910424    -16.90509950
  H     17.12859964      7.37017810    -16.99344258
  O     17.94461124      8.81303733    -13.42684215
  H     15.53223710      5.05138330    -15.84351004
  H     18.10250759     10.39786723    -14.46018554
  O     11.99616526     11.86624213    -12.31474799
  H     17.31415810      9.85810812    -10.53215463
  H     18.75030606     11.78423821    -14.41262602
  O     16.22530664      5.11851233    -12.38714510
  H     16.59557914     10.91937596    -11.41478217
  H     15.63914367      6.69807340    -13.17901910
  O     11.58817906      9.04319474    -12.64812471
  H     17.07020217      8.40216089    -13.50380823
  H     14.96602781      8.03204998    -12.75889763
  O     14.85233861     11.52384930    -12.07623320
  H     17.87253931      9.43014403    -12.67934703
  H     13.24797527      5.41874831    -11.44576784
  O     15.30444227     11.44245541    -14.83050765
  H     12.10968294     11.88430503    -13.28285744
  H     13.41994981      4.23981659    -10.46167645
  O     12.29930289      5.95783225    -15.38809501
  H     11.40806751     12.58361842    -12.09373936
  H     17.54480942      3.68786095    -14.91793970
  O     14.86551081      8.90566615    -15.78279391
  H     15.46829732      4.98244413    -11.80523324
  H     16.79435452      4.63577648    -13.95375708
  O     12.16143281      8.80776254    -15.38021012
  H     16.91028096      5.61235500    -11.90797043
  H     11.80646860      7.11305691    -12.44948289
  O     16.39941000      7.50128840    -17.62638368
  H     11.74752800      8.99572207    -13.60302207
  H     12.23834314      6.07544972    -13.50139806
  O     18.07231869     11.27960617    -14.85834431
  H     11.54572850      9.98170872    -12.42724796
  H     18.33344868      7.62250809    -14.93589955
  O     15.45164027      7.59584585    -13.47334425
  H     15.04978328     11.52852149    -13.02535195
  H     17.95292011      6.17256588    -15.34014820
  O     13.88443602      4.97168948    -10.85920214
  H     13.92815589     11.78956507    -11.99637247
  H     17.94261655      7.27460785    -10.57146759
  O     17.09215927      4.52631223    -14.87340772
  H     16.25765221     11.58336468    -14.90332034
  H     18.32293481      7.39316506    -12.05259042
  O     12.16284568      6.22302503    -12.55003402
  H     15.15118872     10.55964318    -15.19960381
  H     12.23377910     10.79233400    -15.28319186
  O     18.23927574      7.02744761    -15.68792646
  H     13.20187201      5.79187307    -15.71118302
  H     13.43853883     11.73795395    -15.05196172
  O     18.16092489      6.75084474    -11.35316349
  H     11.73479880      5.33348959    -15.83773402
  H     17.55515743      8.50496671     -8.33846918
  O     12.47635174     11.67375599    -14.97568459
  H     15.05091060      8.35151625    -15.00782976
  H     16.39872273      8.00267314     -9.23537241
  O     17.26892298      8.44049523     -9.24560479
  H     15.36018915      8.53441234    -16.52191978
  H     14.42844708      9.83332978    -11.62817115
  O     14.09719332      8.93553698    -11.49631184
  H     12.00175599      7.86044190    -15.46825923
  H     13.19514711      8.91549132    -11.84180096
          69
 Energy    -248.20795877175914     
  O     16.03180805      8.70423127    -15.99180802
  H     16.18894848      7.78042008    -15.73658868
  H     19.97871766      5.54784994    -15.42966677
  O     13.43856116      5.64053882    -17.69401895
  H     16.50064275      9.24428830    -15.34474594
  H     18.54647500      7.22167765    -17.65532195
  O     17.94491628      5.93793202    -12.85396661
  H     12.58619209      5.60043580    -18.11885780
  H     18.86913662      5.71452258    -17.51985964
  O     18.16438133      4.27437296    -18.14850588
  H     13.38799877      6.34978157    -17.02816613
  H     17.13471022      6.02663914    -14.51060336
  O     12.65521731      6.60749377    -10.61437244
  H     17.59603283      5.09462049    -12.53377150
  H     17.53415530      6.14319044    -16.00533726
  O     14.37292243      4.20495924    -13.34687599
  H     18.76745639      5.74975159    -13.32623896
  H     14.20908155      8.16756900    -15.94527104
  O     16.37252829      8.05890519    -12.25119488
  H     17.36729780      4.66981910    -18.53535075
  H     13.48865338      7.35406826    -14.86301448
  O     18.69742214      2.93811486    -14.22037263
  H     17.87632466      3.50692795    -17.64388966
  H     16.27238727      4.04853132     -8.67317610
  O     13.33857204      3.97944964    -10.73624112
  H     11.80926857      6.77054395    -10.20705582
  H     15.83398973      5.18668062     -9.62423415
  O     19.69477196      8.23331489    -14.89681904
  H     12.79127676      5.64267155    -10.61012543
  H     14.39384273      4.43887145    -16.65048594
  O     17.04699796      2.24123838    -16.45148163
  H     14.24216385      5.16219891    -13.28553335
  H     15.65488937      4.78197375    -15.82828607
  O     20.06482287      5.30358437    -14.50465515
  H     14.47458918      4.00652788    -14.28571364
  H     15.95167963      3.68952405    -12.59824547
  O     19.01617169      6.58184442    -17.10423800
  H     16.98408622      7.31773333    -12.39297262
  H     16.61552422      3.63906692    -11.20395294
  O     16.77887077      6.10323640    -15.40486990
  H     16.74483284      8.80080903    -12.73854366
  H     15.80120516      7.40181843    -10.56548959
  O     13.45522913      7.58200686    -15.80188671
  H     18.08927244      2.96195445    -13.47113704
  H     14.45625578      6.91585586     -9.99462250
  O     15.95387595      4.22267178     -9.55481626
  H     18.18299922      2.62731634    -14.97507049
  H     16.31591408      6.66724146    -18.94366635
  O     15.03563163      4.06317173    -16.03638398
  H     14.16657774      3.90770946    -10.24513805
  H     15.10659242      5.75505993    -18.64790674
  O     16.79383249      3.53104759    -12.14685295
  H     13.57913002      3.87668829    -11.66754348
  H     14.76424512      7.39376160    -12.85004268
  O     15.41053883      6.88001073     -9.85319481
  H     19.50390621      7.81008187    -15.74496359
  H     13.38277378      6.94686875    -12.30428522
  O     15.98893648      5.76500696    -19.03660080
  H     20.08918458      7.52916428    -14.37529296
  H     18.43385650      9.31547146    -14.30063355
  O     13.93379834      6.96334094    -13.09720262
  H     16.26180671      2.79997657    -16.32622251
  H     18.02828581     10.74018488    -13.85666330
  O     17.68048875      9.86884937    -14.02782344
  H     16.73404306      1.37921940    -16.71468475
  H     17.25780744      9.09718294    -18.98888944
  O     17.21989561      8.32208141    -18.43438958
  H     19.70717239      4.40174713    -14.43339867
  H     16.74947089      8.57512838    -17.62250037
          69
 Energy    -248.20771720552625     
  O     13.46776635     10.48178084    -15.78376469
  H     14.01278348      9.89829972    -16.32337395
  H     20.80217974      7.78191120    -14.76044920
  O     17.07800759      6.52752545    -13.87212915
  H     14.02394913     11.24030906    -15.57022968
  H     17.69366635     11.03513768    -16.78358467
  O     18.34996388     10.14798141    -11.62122166
  H     17.79224366      6.59262600    -13.22462318
  H     16.37272787     10.46619326    -17.34203989
  O     19.07724121     10.23876799    -15.79651395
  H     16.93101746      7.44497654    -14.15760627
  H     16.47052597      9.76971952    -13.98306678
  O     13.85979640      6.59797762    -16.78978654
  H     18.17714603     10.04081696    -10.67702662
  H     17.60261063      9.48836836    -15.00906398
  O     14.99317237      8.95941376     -9.41935178
  H     17.55117642     10.53426965    -12.00826833
  H     12.40231364      9.84883861    -14.57486629
  O     14.73789229      6.70190246    -12.38969836
  H     19.57540712     10.51412732    -15.01642450
  H     10.99450497      9.82252540    -13.93015575
  O     16.02360708     11.07547861    -12.80915335
  H     19.51012487      9.44832358    -16.14744382
  H     17.96137650      7.74169462     -9.22285704
  O     17.66130386      6.65060790    -16.64645715
  H     13.71419610      5.72719470    -17.14899226
  H     18.42775621      6.85996326    -10.39394349
  O     15.35394300      6.12936603     -9.71091165
  H     13.41309227      6.61297097    -15.92654180
  H     12.30662537      7.62918201    -14.15346550
  O     20.13643586      7.76880972    -16.56691378
  H     14.98407642      7.99380256     -9.41829595
  H     13.34624256      6.62264741    -13.62067440
  O     21.04566753      7.92607561    -13.83784288
  H     14.55179273      9.22534009    -10.23607879
  H     19.71313512     10.55572288    -12.69115639
  O     16.82490488     11.29105806    -17.12282109
  H     14.90562202      6.39815240    -11.48926534
  H     20.97300903     11.39143831    -13.01278193
  O     16.79732801      9.12305474    -14.61820938
  H     15.53608849      6.52936130    -12.90802245
  H     18.71116647      8.28789191    -11.95792301
  O     11.87903969      9.47904742    -13.84057663
  H     15.24648660     10.57868628    -12.50997705
  H     19.80454606      7.42177993    -12.62309675
  O     17.96362396      6.83261949     -9.54530289
  H     15.75871644     11.66805400    -13.52406945
  H     16.62982487      9.46455012     -9.11147163
  O     12.70076823      6.76624065    -14.32577765
  H     17.42616534      6.38656956    -15.74581726
  H     17.66681753     10.09016930     -8.14815763
  O     20.40155684     10.71109529    -13.35982243
  H     16.93933198      7.20131249    -16.96274966
  H     14.30851146      8.45885801    -12.18713566
  O     19.01829294      7.37758900    -12.06047236
  H     15.15926584      5.38927231     -9.14260228
  H     13.19935231      9.47742582    -12.54390376
  O     17.58036693      9.63797870     -8.98294001
  H     16.31172611      6.29444987     -9.64238709
  H     15.93183666     12.13618546    -15.87304176
  O     14.01245433      9.36918179    -12.03561570
  H     19.27891276      7.31223759    -16.62726905
  H     15.26866438     13.43362660    -15.35528379
  O     15.38325436     12.50745325    -15.15867450
  H     20.66581369      7.45575682    -17.29565849
  H     15.84442465      8.85042227    -16.11534283
  O     15.46730496      8.76025433    -17.00507424
  H     20.99544057      8.87956028    -13.69758098
  H     14.87027665      7.99441113    -16.99776739
          69
 Energy    -248.20758654031732     
  O     -2.69350193      0.93757010      3.20687153
  H     -2.92001572      1.01300251      4.14617188
  H     -2.76723491     -3.16640452      7.08577856
  O     -2.04860528      3.63229482      6.64583053
  H     -2.67305823     -0.00208597      2.98132651
  H     -0.47403482     -0.77249226      6.75582853
  O      1.08626812      0.25438354      1.37745351
  H     -2.35601535      4.35522554      7.18576897
  H     -1.69458182     -1.15503178      7.63995674
  O      3.23921235     -1.16953702      2.32257873
  H     -1.85840514      3.99988114      5.76372686
  H     -1.85896593     -3.88877246      5.08336830
  O     -2.44848866     -1.79362693      2.66324973
  H      0.71788563      0.47064855      2.24881615
  H     -3.39526518     -3.78258174      5.00947782
  O     -0.74183203     -1.69194046      0.48904767
  H      0.46074034     -0.34689077      0.95505115
  H     -0.40598040      2.66064112      7.05130865
  O     -2.03047599      3.16455292      1.71333549
  H      3.99592154     -1.12551986      1.74205218
  H     -0.12021989      1.19945219      7.41822157
  O     -1.39088185      4.49345358      4.18856544
  H      2.55490176     -0.60199913      1.93089681
  H     -4.21312063     -1.59426424      6.85481143
  O      1.16167725      3.51522731      4.00189062
  H     -1.76172062     -2.23632243      3.18561733
  H     -4.28928223     -0.25654387      6.09831947
  O     -0.50532255     -3.15812384      4.07859980
  H     -3.29417081     -2.13009395      2.98696345
  H     -0.93526032      0.97902866      3.65912637
  O     -4.70821290     -2.72805988      3.98854746
  H     -1.16186753     -1.95456177     -0.32633734
  H      0.32754077      1.82658249      3.99602086
  O     -2.89379868     -2.57697550      7.85117372
  H     -1.42309789     -1.73373192      1.18001470
  H      1.98599980     -2.68087777      2.11996342
  O     -1.15893041     -0.41123725      7.33971790
  H     -2.33743720      2.36779872      2.17671497
  H      0.66929182     -2.81432496      1.33021322
  O     -2.67044288     -4.05060506      5.58550881
  H     -2.71323297      3.39507020      1.08756357
  H      1.88122092      2.06994311      6.38161367
  O      0.31198214      2.03636217      7.20712146
  H     -1.71886943      4.18555463      3.33735507
  H      3.36017867      2.49752367      6.48478960
  O     -4.70913944     -1.12336722      6.17314338
  H     -0.44179963      4.29402651      4.18235625
  H      3.39530174     -0.75225840      4.20264534
  O      0.01318939      0.92931681      3.83044104
  H      1.30347135      3.41691181      3.04775744
  H      3.22002587      0.33757852      5.29889576
  O      1.24499080     -3.27539102      1.95150959
  H      1.89569198      3.13262685      4.49552728
  H      1.03535975      2.14099050      1.11908550
  O      2.71818623      2.12379924      5.88532406
  H     -0.06110218     -2.51375890      4.64862990
  H     -0.09365207      3.16176305      1.33445487
  O      3.34838620     -0.60899102      5.15637142
  H      0.12182576     -3.37880995      3.37673283
  H     -2.83105586      2.01738344      6.20429905
  O      0.86749058      3.07516170      1.29769273
  H     -5.59072076     -3.03908853      3.80688759
  H     -2.36282052      0.55894848      6.39034042
  O     -3.01781160      1.10945912      5.93528469
  H     -4.77494431     -2.12068509      4.74782754
  H      1.66304900     -1.12839932      5.52105744
  O      0.69734032     -1.14914869      5.48858239
  H     -3.02467307     -3.13725440      8.61130421
  H      0.43961280     -0.40666167      4.92071455
          69
 Energy    -248.20757838749219     
  O     -4.94187751      3.94582845      2.69684847
  H     -5.69013549      4.22387241      3.21769626
  H      2.56349008      3.53684383      3.77280085
  O     -2.91734832     -2.50501579      1.16549656
  H     -4.18577286      4.49498038      2.97098273
  H     -0.79839015     -1.54333359     -1.62357114
  O     -1.23531633      4.41030904     -2.02417702
  H     -3.51560744     -3.23755615      1.28552741
  H     -0.90514697     -1.64563534     -3.16343451
  O     -3.62130759      1.77519182     -0.75101939
  H     -3.26651523     -1.97606828      0.42544389
  H     -0.83187412      3.27444215      3.32478744
  O      1.99234208      0.29915015      4.09671478
  H     -1.11894293      3.44901516     -2.06157428
  H     -0.83295227      2.64381031      4.72550475
  O      1.06596495      5.56630098      1.57997398
  H     -1.74412283      4.64210323     -2.79843159
  H     -3.69977115      1.55040444      1.03846417
  O     -1.14353696      2.84281116      1.61952089
  H     -2.71870762      1.76493729     -1.09689532
  H     -4.14048704      2.29919276      2.33266170
  O     -0.66758445      0.87450951      5.06239363
  H     -3.87725235      2.70362630     -0.65029167
  H     -2.26350145      5.57739047      2.39596711
  O     -3.65621231     -1.02677175     -0.99559520
  H      2.53953902     -0.40108132      4.44484815
  H     -2.07423170      4.80289480      3.72386809
  O     -1.96619264     -0.47086280      2.87594374
  H      1.58742058     -0.04352040      3.28186571
  H     -1.03876624      0.72889055     -2.15170769
  O      0.63903861     -0.47880082      1.83959711
  H      1.70102812      4.96756876      1.16841096
  H     -0.28358869      1.64132932     -1.15746444
  O      3.02273326      2.83719527      3.29096044
  H      1.22532380      5.49930725      2.52881816
  H      1.50790170      5.52467961      5.12928549
  O     -1.16249939     -1.11105167     -2.41708764
  H     -1.99887619      2.40975453      1.73290693
  H      0.63502663      4.45621045      4.42829586
  O     -0.81881041      3.49614550      4.26824264
  H     -1.29830683      3.70639734      1.21344586
  H     -4.58142975      4.31154137      0.83871953
  O     -3.59245860      1.57711023      2.00118547
  H      0.25805630      0.67471524      4.87592344
  H     -3.35057321      4.87567576      0.11300856
  O     -2.69061998      5.36369148      3.23295457
  H     -1.17979882      0.33129898      4.44974676
  H      1.63344735      2.32663272      0.25972248
  O     -0.99625344      1.63172363     -1.81354657
  H     -3.83942752     -0.08000456     -0.93969835
  H      0.17593152      2.14143817      0.76763631
  O      1.46626510      4.95798114      4.36361855
  H     -2.90884456     -1.10781546     -1.60117603
  H      0.14019222     -1.76918983      0.53608484
  O     -4.17091330      4.39198742     -0.03163133
  H     -2.58218653      0.24104388      2.64915206
  H     -1.18493468     -2.52448634      0.34851825
  O      0.86947817      1.73940848      0.21693463
  H     -2.30052756     -1.25569275      2.42411986
  H      3.80223801      3.72054557      0.34871856
  O     -0.36298037     -2.29096366     -0.10145161
  H      0.77776518      0.25660058      1.22471083
  H      3.04158499      3.26991803      1.62193873
  O      2.92995380      3.55654584      0.69628165
  H     -0.26723161     -0.41746379      2.17776821
  H     -1.33543777      5.14078189     -0.39259167
  O     -1.44276146      5.38300820      0.54065121
  H      2.68510544      1.99632449      3.62194389
  H     -0.55388433      5.57886235      0.88077689
          69
 Energy    -248.20757376925110     
  O     -1.86396659      1.74211053     12.92812176
  H     -1.38667971      2.27112474     12.28289071
  H      1.93267103      0.28724725     17.48674377
  O     -3.64374960      4.76738580     15.03859983
  H     -1.49269422      2.03547903     13.77690638
  H     -4.04324138      2.96216821     14.71035591
  O     -3.79292225     -1.50134342     17.77905287
  H     -4.27575744      5.43560322     14.78319969
  H     -3.50651272      1.81693076     13.84030725
  O     -1.76104968      1.30327926     17.27995801
  H     -2.81311088      4.99088781     14.58470642
  H      0.17909347      1.84913337     15.01043169
  O     -3.15288239      4.45362255     17.82939007
  H     -4.34707696     -0.94395796     17.21916949
  H     -1.05058981      2.09131938     15.93404670
  O     -0.36003101     -0.05233584     20.07879793
  H     -2.95974874     -1.62350176     17.30126767
  H     -4.75217495      1.45190886     17.83765370
  O     -3.26332188     -0.21464284     20.10244755
  H     -1.70279656      0.36157335     17.07135105
  H     -3.98033280      1.28725864     19.18164275
  O      2.51873986      2.94481780     13.06950420
  H     -2.63775076      1.49686838     17.62695255
  H     -1.58603545      4.89295943     18.37795584
  O     -5.34265276      0.46477454     16.37516726
  H     -3.34141315      4.55708386     16.88853501
  H     -0.70230802      5.82721453     19.24094246
  O      1.55527972      0.67510971     14.51701289
  H     -3.60821166      3.65385193     18.12151690
  H     -0.46618967     -1.44255048     16.98498820
  O     -1.28490405      5.43120107     13.82340219
  H     -1.32326229     -0.08503663     20.11574545
  H     -1.16578367     -1.22238891     15.59902957
  O      2.10636530      1.19490392     17.20613270
  H     -0.12600030      0.86542506     19.88388975
  H      2.76712659      2.84689780     16.27711961
  O     -4.16471934      2.02462550     14.51481250
  H     -3.45588887     -0.75806968     19.31621672
  H      2.08447051      4.17571074     15.87166163
  O     -0.52783287      2.47396484     15.21354058
  H     -3.66566072     -0.65615674     20.84623773
  H      0.08418456      5.08566620     16.91054850
  O     -4.22016194      1.92293858     18.49431966
  H      2.67490852      3.25487308     13.98036937
  H      0.03922675      4.06188925     15.74066926
  O     -0.66596525      5.09855709     18.62768414
  H      3.36521904      2.96130889     12.62952516
  H      0.88281447      3.43310403     12.29846817
  O     -1.31997768     -1.34036470     16.54901703
  H     -6.23074934      0.29461692     16.07243661
  H      0.26209112      4.06532085     11.03983866
  O      2.83448365      3.59554024     15.67422973
  H     -4.90711094      0.98389219     15.67493873
  H      0.00010020      3.36105817     18.89256143
  O      0.40271628      4.92133091     16.01519289
  H      1.86804886      0.81697047     15.42220408
  H     -0.50783589      2.02267676     18.30823694
  O      0.04210748      3.68869524     11.88949583
  H      1.98380387      1.32812241     13.95129701
  H      0.56790081     -0.92514576     18.87305988
  O      0.20095851      2.42017336     18.84015058
  H     -0.64573994      5.46624531     14.54851269
  H      1.52268900     -2.07128061     18.46217800
  O      1.06340829     -1.30611601     18.12530236
  H     -0.88788143      4.86507083     13.15190503
  H      0.11604428     -0.39126112     14.04907291
  O     -0.77791072     -0.74365986     13.93185579
  H      1.53278747      1.73438401     17.76998399
  H     -1.25858216     -0.05676998     13.45589634
          69
 Energy    -248.20751406824218     
  O     12.30862227      9.63896107    -10.81901509
  H     11.85153184     10.34701551    -11.28753418
  H      9.52894074     13.01303241    -10.31341624
  O     12.90885978      7.55069955    -12.56178973
  H     12.50119149      8.93527226    -11.45312986
  H     11.70518837      8.97669382     -9.27485073
  O     11.08703346     11.66606863    -12.32336407
  H     12.41128632      6.81695474    -12.17779333
  H     11.24460605      9.36021886     -7.85312265
  O     14.66450024     10.28390229     -9.55208218
  H     12.52233756      7.78465288    -13.41505411
  H     11.72181465     11.51186460     -7.50628315
  O     15.74199509      7.67904929     -9.36896951
  H     10.56936554     12.33533553    -11.86387959
  H     10.70993805     11.35833684     -6.34546781
  O     12.08760942     15.08264029    -11.57578151
  H     11.87266414     12.10709373    -12.67301815
  H     12.69714428      7.24466142     -8.61014167
  O      8.36635304      9.29493467    -11.08435285
  H     15.12919167      9.45310859     -9.40506202
  H     12.80153104      6.13791674     -9.67454085
  O     13.31696050     13.05446982    -13.15981501
  H     13.84164087     10.06222876    -10.01591083
  H     15.16397283     11.50776449    -10.78623075
  O     14.13353837     14.10938797     -9.77749849
  H     14.88839533      7.23642230     -9.21142882
  H     15.78657112     11.58984216    -12.19034366
  O      9.64415965      7.07673122     -9.87666890
  H     16.37284955      7.27626866     -8.77891273
  H     12.55441157      9.39222005    -14.88898478
  O     15.63686348      8.00064693    -12.19448593
  H     11.92646519     16.02286892    -11.60996136
  H     11.96305710      8.34322325    -15.85726591
  O      9.71416307     13.74584653    -10.92973166
  H     11.26201163     14.66771957    -11.28075691
  H     10.14791492     10.37968584    -13.13421920
  O     11.44729211      8.60507279     -8.41541528
  H      7.43113181      9.27363290    -11.27381688
  H     10.33145518      9.14368465    -14.01583949
  O     10.88077379     11.09205106     -7.24440435
  H      8.82024549      9.33400312    -11.94469480
  H      8.97186830     10.74131475     -9.92817134
  O     13.29920871      6.58415036     -8.98097640
  H     12.96833228     13.86603751    -12.77281818
  H      9.73868766     11.33823795     -8.70578414
  O     15.34870758     12.12074608    -11.51327827
  H     14.02908734     12.75256622    -12.57434341
  H     14.59286398     10.49388123    -14.36596797
  O     11.94472177      8.63412556    -14.94950496
  H     14.69317751     13.57277116    -10.35234529
  H     13.50795770     11.57542987    -14.36803854
  O      9.69758187      9.57502376    -13.43390194
  H     13.45961166     14.49246451    -10.34994634
  H     16.07363304      9.45057233    -13.00504540
  O      9.20675772     11.56180080     -9.47979026
  H      9.14189806      7.77030150    -10.32082278
  H     17.08876415     10.18170595    -13.91621224
  O     13.70709580     10.69064438    -14.69638269
  H     10.17703920      7.53849515     -9.21374942
  H     11.27665047      4.69923324    -11.18179491
  O     16.25086877     10.28671278    -13.47396110
  H     14.71229999      7.77147785    -12.36346621
  H     10.80613180      6.09085973    -10.69553656
  O     11.55159799      5.60784352    -11.09674238
  H     15.77920016      7.85157344    -11.25254716
  H     13.47254740     12.92651876     -8.51192768
  O     13.22670942     12.13187668     -8.02045145
  H      8.86537018     14.05642779    -11.23588930
  H     13.78949581     11.43531688     -8.38330348
          69
 Energy    -248.20732740829499     
  O     15.03120052      9.49405540    -10.26458606
  H     14.91432480     10.21801894    -10.89621604
  H     16.53636041      4.20012633    -12.24444243
  O     14.35272608     11.80320588    -15.73279682
  H     15.96966366      9.46311821    -10.04471769
  H     13.54280952      8.63496027     -9.74459886
  O     17.43934746     10.08002546    -12.73720200
  H     14.58371709     12.51949245    -15.12763060
  H     12.31081848      8.09084978    -10.48731063
  O     11.96401526      5.96356670    -13.24660571
  H     13.75229799     11.22601067    -15.24514941
  H     18.83641389      5.86670204    -15.44075744
  O     17.18077590      6.64044624     -9.50515868
  H     17.70182856      9.74221481    -11.87316612
  H     17.87145115      7.02537386    -15.10807123
  O     17.79394598     12.38004951    -14.37615267
  H     16.54552972     10.43706398    -12.63154938
  H     16.33540395     13.28066841    -13.97209981
  O     15.05991438      7.31620231    -12.17233235
  H     12.49010630      5.48146900    -12.59160631
  H     15.50166316     14.54052351    -13.62681164
  O     14.89330659     11.23488928    -12.36441136
  H     12.36166768      5.77664859    -14.10388892
  H     13.60048724      9.24486393    -14.35774764
  O     17.47115359      5.90362397    -12.17414168
  H     16.28624845      6.36541369     -9.27349126
  H     12.42396773      9.51598741    -13.39168277
  O     15.80208051      4.19234956    -15.18650307
  H     17.39390485      6.22504461    -10.35334200
  H     16.84952383     11.25268363    -17.61407611
  O     13.42371377      5.73929776    -15.71280325
  H     17.60623710     11.97732619    -15.23329220
  H     15.87562612     11.25563564    -16.41203469
  O     15.85323879      3.55771576    -12.47143765
  H     17.88539986     11.64390030    -13.75686042
  H     10.49555625      8.49913840    -12.13547676
  O     12.82579469      7.98556056     -9.68025750
  H     14.53174526      6.55216833    -11.90074088
  H     11.59486686      7.52668561    -12.61841094
  O     18.03519118      6.07920589    -14.96712378
  H     14.99649375      7.99119062    -11.48802961
  H     14.16876666      5.60920998     -7.99985277
  O     15.43748893     13.60079648    -13.77145602
  H     14.21870633     10.80802762    -12.91225720
  H     13.79859630      6.64717381     -9.08499968
  O     13.05011786      9.95001296    -13.98482224
  H     15.01420697     12.12765930    -12.70729809
  H     14.44646382      4.34425631    -11.76765154
  O     16.77522604     11.01164181    -16.69452616
  H     17.81359870      5.90757854    -13.07478369
  H     13.94656179      5.08635026    -10.48443315
  O     11.44079924      8.40812584    -12.23132568
  H     16.66157213      6.43674490    -12.20132389
  H     15.63241867      8.22526547    -15.05178735
  O     14.41720724      5.92790531     -8.86404287
  H     14.98381159      4.65069639    -15.41146540
  H     14.82471711      7.68123043    -13.84910547
  O     13.76976728      4.94801095    -11.42176138
  H     16.50187230      4.85562879    -15.20076731
  H     17.66066289      8.27163692     -9.81783326
  O     14.75271961      7.93733387    -14.78411771
  H     13.05523716      5.86643793    -16.58385214
  H     18.46043438      9.53099250     -9.41249745
  O     17.82583846      9.20479058    -10.04493870
  H     13.88216995      6.56404123    -15.47742774
  H     17.26895352      9.48091351    -15.79458316
  O     17.39381448      8.75572174    -15.16938000
  H     15.78535092      3.60418923    -13.43649139
  H     17.47727712      9.15201132    -14.28848856
          69
 Energy    -248.20706929080507     
  O     -3.16100746     -2.29774522     -7.57550450
  H     -3.47732726     -1.83587541     -8.36254283
  H     -4.52210863     -0.97239839    -10.52151148
  O     -0.15920723     -2.30570108     -4.83679038
  H     -3.82796600     -2.19883688     -6.88219879
  H     -1.98502120      2.09498808     -9.01017056
  O     -4.78245714     -1.84981688     -5.33842978
  H     -0.40308199     -1.59176309     -5.44771010
  H     -1.64294814      3.53359924     -8.54879226
  O     -2.68436879     -1.53976473     -3.67127617
  H     -0.42924680     -3.11130245     -5.30303839
  H     -0.49910425     -0.70248535     -7.55544066
  O      0.70290870     -0.05497319     -3.28532899
  H     -5.48272047     -2.35096239     -4.92903810
  H     -1.86089676     -1.20140362     -7.02643950
  O      2.52937763      1.45287031     -4.70112104
  H     -4.05897662     -1.79090636     -4.68812875
  H      0.05031795      1.87416188    -10.43346928
  O      0.02163307      4.45861456     -8.64273374
  H     -2.48065924     -0.63353029     -3.40910317
  H      1.43265848      1.92402764     -9.74500576
  O      1.21149921     -3.59105191     -8.45123682
  H     -1.84511855     -1.94015703     -3.92525781
  H     -0.13606186      2.39989613     -6.23009981
  O     -1.89205603      1.16682361     -3.23812311
  H     -0.14264030      0.38430772     -3.13530510
  H      0.55623536      3.42710121     -7.14981366
  O     -1.06740928     -4.10058243     -6.72338126
  H      0.49039049     -0.92501869     -3.64228254
  H     -2.17526477      2.23368187     -6.74724787
  O     -1.47513801      0.69085657    -10.09600774
  H      1.96691000      2.03898480     -5.22038884
  H     -1.64768419      0.87546074     -6.21182072
  O     -3.94969431     -0.72066948     -9.80128596
  H      1.93731336      0.94268919     -4.12786747
  H      1.67857954      1.53511615     -7.62868822
  O     -2.29376448      2.82858708     -8.45661129
  H      0.34942805      3.82387018     -9.30605209
  H      2.89550559      0.58591333     -7.70458778
  O     -1.10830814     -0.63168731     -6.81009249
  H      0.24901244      5.33005233     -8.95446529
  H     -4.98473745      1.35011849     -7.67778887
  O      0.81252442      2.44442598    -10.27223080
  H      1.73695226     -4.27831105     -8.85181650
  H     -4.11022065      2.17731256     -8.63740904
  O      0.72715753      2.70764962     -6.52842774
  H      1.70707637     -3.27094218     -7.67446052
  H      4.85674435     -0.10838933     -6.15860182
  O     -1.94967234      1.75805858     -5.93518292
  H     -2.27770551      1.84440209     -2.68761573
  H      3.48356285      0.42543323     -5.67875069
  O      2.18362791      0.97013400     -8.23088659
  H     -1.91721726      1.49873624     -4.14981958
  H      1.17590930     -0.39681262     -8.81574780
  O     -4.82927424      1.53456487     -8.61609097
  H     -0.37308450     -4.03941760     -7.39066241
  H      0.73095452     -1.89701291     -8.97646572
  O      3.91984922     -0.16001853     -6.32605639
  H     -1.83106373     -3.63882884     -7.09246966
  H     -4.86740291      0.00946655     -5.68850438
  O      0.44574347     -0.98004895     -9.07023093
  H     -2.30747553      0.20586298    -10.13981619
  H     -3.88120567      1.19148313     -5.77398278
  O     -4.80200613      0.94660531     -5.91078257
  H     -0.81169946      0.04452257     -9.81032026
  H      1.66815637     -2.42868605     -5.60923453
  O      2.37027191     -2.53944126     -6.25959739
  H     -4.34288484      0.07293308     -9.39361108
  H      2.91973764     -1.74673028     -6.22840644
          69
 Energy    -248.20700925821575     
  O     13.12319098     13.95734533    -14.83114429
  H     13.23365054     14.51741418    -15.59525377
  H     14.37957683      6.79242211    -14.86705541
  O     17.39578667      6.80177516    -13.80999378
  H     13.24569923     13.04617116    -15.14392287
  H     17.40170830     10.30879225    -14.35062578
  O     19.44730860     10.87912212    -11.60363547
  H     17.38040160      7.09252885    -14.72823182
  H     18.78842218     10.76759271    -14.86124439
  O     17.57105538     13.61975241    -14.59785988
  H     16.60071980      6.26566080    -13.69863856
  H     16.29767158     10.08693593    -19.36277464
  O     14.84408873      5.50761268    -13.57394176
  H     18.94490171     11.38117297    -10.95090760
  H     16.11217410     10.63042989    -17.92984625
  O     15.59256656     10.51231306     -9.44769453
  H     19.06816973      9.98947577    -11.60735799
  H     16.85931772      9.86071900    -12.39507290
  O     14.16433212      7.21054942    -11.59671285
  H     18.41052182     13.15594134    -14.47838303
  H     16.34655892     11.34185859    -12.59719011
  O     13.66977913     13.92701922    -12.17590294
  H     17.13655987     13.21338486    -15.35592506
  H     13.43920879     10.76018150    -16.24250950
  O     13.38195593      9.37790198    -17.38489683
  H     14.57039781      6.04174271    -12.80586033
  H     13.65489661     10.82651030    -14.71530555
  O     16.10123096      7.89909565     -9.64954704
  H     14.55210548      4.61545101    -13.41049254
  H     17.37869403      8.22347339    -10.96836202
  O     16.89589764      8.11741526    -16.36587708
  H     16.29324352     11.16656057     -9.53838939
  H     17.80408466      7.89877283    -12.43595409
  O     14.32254448      7.61509096    -15.36815302
  H     14.84074833     10.81481209     -9.97814084
  H     15.45852450     13.48702364    -12.17023372
  O     18.00095606     10.27242163    -15.11318862
  H     14.78956461      7.42429657    -10.89252297
  H     16.76829695     13.43013590    -13.03156367
  O     15.99989671      9.84475763    -18.48930930
  H     13.94267944      8.04096792    -12.03170785
  H     20.82615926     12.17238546    -14.13217644
  O     16.33542871     10.44766119    -12.95908778
  H     13.44194459     13.98078116    -13.12001925
  H     19.77616121     11.62229854    -13.13850768
  O     13.66808228     11.36115776    -15.51764833
  H     13.19754736     14.63125380    -11.73899709
  H     17.91753122     13.14820565     -9.38101023
  O     17.89827868      8.54199132    -11.71672514
  H     13.54305620      8.64864332    -16.77023735
  H     17.24042903     12.78932841    -10.72588821
  O     16.36671828     13.16275263    -12.19095540
  H     14.18394721      9.45518683    -17.91595857
  H     16.88807065     11.31035559    -16.07745924
  O     19.89420805     12.00132960    -14.02871179
  H     15.89931902      8.84347847     -9.50866921
  H     15.39184766     11.74041380    -16.14241218
  O     17.69192375     12.41542300     -9.94859915
  H     16.19746051      7.50470762     -8.78734665
  H     13.44972545     12.16000609    -11.47039405
  O     16.25532266     11.86332429    -16.56136196
  H     16.64901808      8.49064806    -17.21964693
  H     13.39525482     10.67321130    -11.87542223
  O     13.49512778     11.26300489    -11.11935247
  H     17.39100350      8.82329991    -15.92099566
  H     13.90902525      8.83126871    -14.06183035
  O     13.84553419      9.50613782    -13.37077531
  H     15.21843281      7.79474938    -15.68952882
  H     14.75210131      9.81702625    -13.20295123
          69
 Energy    -248.20682163954524     
  O     16.93521795      6.66408268    -12.20097398
  H     16.80951466      7.53154634    -12.61724908
  H     14.09702479      9.69379717    -15.21488520
  O     18.16533070     11.18155990    -12.18392670
  H     16.42479768      6.02004830    -12.70934378
  H     16.81393648      9.27858214    -14.23770118
  O     17.18944684      9.80951331    -15.97279249
  H     18.59389093     11.35300715    -13.03015362
  H     17.11972695      9.80786216    -12.81257817
  O     14.53223686      3.08797784    -11.89923636
  H     17.39323708     11.76286371    -12.09582847
  H     12.02789400      6.50450962    -12.64417084
  O     14.75497288     10.81900158     -9.92883698
  H     17.88488109     10.41301262    -15.68120479
  H     10.64944530      6.29277349    -11.97960062
  O     15.29095488      7.12750626     -9.99050784
  H     17.62916539      8.99804977    -16.26276603
  H     18.67348653     10.06050990    -10.85632187
  O     16.21130997      5.95920222    -16.11737853
  H     14.53846352      2.22652235    -11.49252025
  H     19.17672729      8.60513868    -10.72804957
  O     16.66252644      9.12955709     -8.59871252
  H     14.14290897      3.69394725    -11.24518853
  H     12.74576946      5.43291536    -10.68612185
  O     18.47723002      7.35776422    -16.44511930
  H     14.04345209     10.20017535    -10.13224494
  H     14.11385608      5.66459268    -10.01361695
  O     15.28146408      5.02446714    -13.66701702
  H     15.40414209     10.31732308     -9.42082045
  H     20.13580314     11.60993538    -15.06423522
  O     20.02575088      8.51807447    -14.34133348
  H     15.89313793      6.92558756    -10.71973566
  H     19.69833032     10.20805756    -14.56905033
  O     14.36537502      9.60838062    -16.13932408
  H     15.75792110      7.73628040     -9.40424865
  H     20.08161487      6.36187418    -11.57260580
  O     16.62610502      9.13703587    -13.30155946
  H     15.37807483      6.30098008    -16.46186406
  H     18.66947530      6.85085466    -11.97144836
  O     11.56420230      6.48641682    -11.79059761
  H     15.98815807      5.50692629    -15.29270271
  H     15.39243319     11.93420258    -11.14806504
  O     18.80225166      9.33680736    -10.22597406
  H     16.93827829      9.26277581     -7.69593148
  H     15.07179185     12.77135087    -12.39727211
  O     13.46946166      4.97988437    -10.23761329
  H     17.46113037      9.20710375     -9.15151590
  H     13.39499166      7.66278134    -13.82028567
  O     19.38651589     11.11654635    -14.74182777
  H     18.91435143      7.00966566    -17.21795624
  H     13.14241790      6.74886169    -15.03804980
  O     19.59945040      7.12356053    -11.88485592
  H     17.68279816      6.81069203    -16.30714970
  H     12.40603332      8.03162010    -10.98806333
  O     15.79478944     12.46843557    -11.85431794
  H     14.48993404      5.57445323    -13.73841357
  H     13.86390058      8.13338898    -10.49967691
  O     13.10128867      6.77461916    -14.07431010
  H     15.05310382      4.25687795    -13.12306031
  H     13.54262259      9.26605297    -12.45580805
  O     13.09938542      8.66485152    -10.77179470
  H     19.93576016      8.04856241    -13.50345150
  H     14.85609204      9.32777315    -13.26711346
  O     13.89098209      9.34090146    -13.35323673
  H     19.54675882      8.00247989    -15.00250004
  H     13.18247618      7.05711057    -17.63572366
  O     13.67197416      7.08315664    -16.81834921
  H     15.31409019      9.78972066    -16.16926479
  H     13.90184173      8.01652683    -16.65587325
          69
 Energy    -248.20677543899458     
  O      1.06917761      0.36292422      5.84401207
  H      0.73515657      0.38058732      4.93592072
  H      2.29684235      0.34021952      0.70784240
  O      3.61626336     -1.79238370      8.51694525
  H      1.28634980     -0.55577744      6.05853836
  H     -2.19672903     -2.17805817      2.68969284
  O      6.57812744      0.78405993      2.71705797
  H      3.71236019     -2.15759712      9.39215554
  H     -0.69397454     -2.33715534      2.34874752
  O      6.07044280      0.68610898      5.54208504
  H      3.63057959     -0.82278185      8.61204533
  H      1.26469707     -4.42026075      3.74428914
  O      3.35758715      3.44682187      3.73918320
  H      6.11360306      1.55748572      2.37734490
  H      1.94559935     -5.61097884      3.02573793
  O      0.28720053      0.29437543      3.18813543
  H      6.53744783      0.83636036      3.68246555
  H      3.30974758     -3.62560461      3.90657624
  O      2.62165241      2.15500909      0.17847190
  H      6.10028380      1.29637051      6.28818235
  H      4.08452159     -2.29717261      3.71001062
  O      3.66809466      3.91699090      6.49653174
  H      6.01166536     -0.21975208      5.88538645
  H      1.17388706     -3.47880360      1.79489098
  O      3.65974548      0.90061219      8.66078574
  H      3.99626520      3.49495279      3.01888094
  H      1.17959582     -2.07398438      1.13700227
  O      1.48963790      2.40896817      7.58159204
  H      3.38514084      2.52265745      4.03814523
  H      0.61316621     -3.19709014      5.47691044
  O      5.72489388      2.55873735      7.61657401
  H     -0.39236066     -0.39142310      3.16465764
  H     -0.46754721     -3.09886649      4.36745557
  O      2.14079181     -0.48103188      1.18595500
  H      0.96162665      0.02336813      2.54930765
  H      4.35155951      0.79173399      5.04088562
  O     -1.31926797     -1.99835546      3.01651992
  H      2.00114868      2.46505469      0.86411610
  H      2.78081471      0.64099332      5.16266016
  O      1.96157327     -4.66086322      3.10673192
  H      2.27100761      2.44259800     -0.66067532
  H      1.70857462      3.19229180      2.85568244
  O      3.82604945     -2.95583307      4.37095759
  H      2.86520330      3.51284826      6.84891863
  H      0.62717790      2.09913808      2.64098245
  O      0.62180525     -2.84088531      1.32651578
  H      3.56835481      3.92448801      5.53556971
  H      5.08926784     -2.37474868      5.70204377
  O      0.09671119     -3.71757633      4.84659824
  H      4.43147829      1.41702314      8.39866695
  H      4.97935170     -1.90859123      7.16506575
  O      3.50772262      0.85604992      4.56943611
  H      2.89101205      1.42550693      8.40797256
  H      4.24717571      2.62215380      0.97184404
  O      1.03104978      2.87925666      2.24037559
  H      1.25161587      1.69855401      6.96101893
  H      5.51072481      3.50028575      0.87866207
  O      5.54734564     -1.87077136      6.38648149
  H      0.67600046      2.71593930      7.97330009
  H      2.61012552     -2.41578190      5.62138980
  O      5.00725041      2.95093847      1.47616513
  H      6.32048192      3.14658257      8.07306584
  H      2.44167881     -2.13932486      7.13746480
  O      1.95932963     -2.18951143      6.30249089
  H      5.04097409      3.11571113      7.20148922
  H      5.26766645     -0.49081294      2.50786659
  O      4.39270077     -0.87223122      2.65775911
  H      2.98023998     -0.70773834      1.61460612
  H      3.97773693     -0.27790936      3.30454665
          69
 Energy    -248.20671790577214     
  O     15.33038032      6.38608609    -13.41349080
  H     15.90911077      6.40906620    -12.63878520
  H     18.36559894      5.50867893    -12.32034853
  O     18.87116181      8.82324159    -11.83474373
  H     14.76309335      7.16942750    -13.38383305
  H     17.42269503      8.89903183    -17.88120101
  O     18.63918857      5.11549922    -17.07149219
  H     19.59184444      8.37329265    -12.29022056
  H     18.51653000      9.39291494    -18.85139578
  O     15.87450856      5.33821334    -17.89995982
  H     18.51601366      9.45888912    -12.47566690
  H     16.55246696      7.26885872    -14.42847629
  O     15.19156489     11.32020470    -10.25603531
  H     18.54335802      4.46503009    -16.36313345
  H     17.89890420      7.55557660    -15.20478710
  O     13.87809067      8.76869332    -13.49270691
  H     17.76714057      5.19230482    -17.47534662
  H     14.99067601     11.63580485    -14.87091790
  O     17.75575180     10.31050789    -13.83033193
  H     15.46379280      4.73588141    -18.51404513
  H     14.44307366     10.86796305    -16.07568327
  O     18.14569814      3.42467929    -14.84896731
  H     15.67908074      5.00384755    -17.00426541
  H     15.30636007      7.02406904     -8.42814678
  O     13.84714234      8.81070679    -10.61769316
  H     16.00341983     10.83809290    -10.01710937
  H     14.97606595      7.84967981     -9.69594828
  O     19.56660199      7.45567891    -16.05799849
  H     15.10259604     12.03728481     -9.63440763
  H     14.27812238      8.76085148    -16.78809277
  O     15.54564167      4.43586740    -15.38866519
  H     14.36620813      9.58906608    -13.32389372
  H     12.77573333      9.09681688    -16.91007300
  O     18.99659009      5.12808412    -12.94555521
  H     13.60529291      8.82129982    -14.41596672
  H     20.35338683      7.46278530    -14.45581932
  O     18.31971711      9.26614182    -17.92567794
  H     17.91706857     10.88824703    -14.58993412
  H     21.61947902      7.41802807    -13.57304102
  O     17.03757723      7.91390888    -14.95749874
  H     17.44793340      9.47062024    -14.20490448
  H     16.72019075      6.75742608    -10.57186599
  O     15.00662839     11.61119378    -15.83725177
  H     18.43662853      2.54369221    -14.63020610
  H     17.74238484      7.40572217    -11.54512577
  O     15.69679571      7.41522552     -9.20450884
  H     18.46558689      4.00975393    -14.13855689
  H     17.97809478      9.49739517    -10.28959004
  O     13.52174824      9.14535425    -16.31676555
  H     14.15111244      9.71785228    -10.48280540
  H     16.88368875      8.93944119     -9.35146960
  O     20.66668846      7.37688069    -13.53948154
  H     13.68235535      8.71987032    -11.56360240
  H     16.17222830     10.91267428    -13.24734477
  O     17.20781360      6.61305052    -11.39215697
  H     19.30942720      8.14367652    -16.68300823
  H     15.21067950     11.35077385    -12.10816258
  O     17.32271633      9.75345530     -9.62839004
  H     19.34703612      6.60161323    -16.46531577
  H     18.00310724     10.90217032    -16.86526402
  O     15.25185943     11.14211697    -13.04840239
  H     15.35084005      5.05120020    -14.66867805
  H     16.81877958     11.66866169    -16.22530378
  O     17.78601076     11.59593247    -16.23407925
  H     16.37234926      3.99712934    -15.15051190
  H     16.21778450      8.06239757    -16.49813038
  O     15.84160098      8.07000733    -17.39456440
  H     19.65316622      5.81379053    -13.11251167
  H     15.80412249      7.14732008    -17.68089989
          69
 Energy    -248.20657312975777     
  O     13.78581552     11.60820515     -8.40079187
  H     14.46043463     12.22518523     -8.73986116
  H     11.78034695     13.87460725    -13.18897378
  O     11.40113676     11.23512442    -15.24474733
  H     13.84613335     11.62722887     -7.44988391
  H     13.64329215     14.63433553    -11.50345959
  O     14.45431592      9.26845441     -9.97651962
  H     11.32296049     12.06045037    -14.74509582
  H     12.70667530     13.38481978    -11.26348117
  O     18.72727036     13.24099821    -13.26612424
  H     11.48332787     11.48992694    -16.17184287
  H     11.97217042     14.36173845    -15.29991401
  O     11.95641958     11.90734237    -10.46569310
  H     13.72237919      9.23325637    -10.60668786
  H     12.30406725     13.87776324    -16.71753149
  O     12.44639850      9.58172781    -11.93074314
  H     14.25388269      9.99247231     -9.37288898
  H     15.56727769     12.19182693    -12.57097815
  O     13.79857030     10.12028534    -14.34627494
  H     18.38437584     12.83048881    -14.08083443
  H     14.18202167     12.90240511    -12.70060096
  O     15.12160580     15.63454595    -11.01367377
  H     19.66069717     13.38108147    -13.39863361
  H     16.84431005     12.90712284    -15.62525081
  O      9.99288974      9.93892840    -13.13809163
  H     12.15953083     11.12366046    -10.99858034
  H     17.11700498     11.39316863    -15.62756784
  O     15.19672229     13.87527199    -15.40288029
  H     12.47026963     11.82650772     -9.65205009
  H     12.93509972     12.09546975    -17.78309078
  O     14.64557128     11.94485768    -17.50425815
  H     11.53827844      9.52934632    -12.26256425
  H     11.69883958     12.24925524    -18.70235229
  O     11.06126096     13.62551110    -13.78970024
  H     13.00644674      9.63539200    -12.71561507
  H     16.05774028      9.21615080    -10.70494486
  O     13.01622114     14.02888811    -11.91653466
  H     12.97133049     10.42799667    -14.74276968
  H     17.38642011      8.46805335    -10.90786156
  O     12.58876098     14.49331634    -16.03122593
  H     14.18638795     10.88735102    -13.89310884
  H     16.23378152      8.99806393    -16.15482760
  O     14.80711703     12.32217779    -13.15312669
  H     15.16937180     16.55854121    -10.78334805
  H     15.20126619      9.87037592    -15.40808818
  O     17.53457561     12.24901602    -15.47333935
  H     15.67980223     15.51520115    -11.80271448
  H     17.71054056     12.32405183    -12.01102852
  O     11.97763454     12.27633659    -17.79142081
  H     10.35798656     10.26399294    -13.97269979
  H     17.08549254     11.01286840    -11.39140525
  O     16.93333208      9.27769497    -11.12531683
  H      9.64320804     10.71704004    -12.68828702
  H     10.31208823     12.26842867    -11.17095070
  O     15.96215470      9.90111873    -16.01280628
  H     15.07244490     13.28947889    -14.63870062
  H      8.81644088     12.64870997    -11.10929085
  O     16.98419044     11.97253152    -11.48328565
  H     14.32392448     14.23248870    -15.62628723
  H     17.39345695     14.64858282    -13.20909115
  O      9.51850424     12.41575880    -11.71182736
  H     15.10616450     11.16929188    -17.16305526
  H     16.14805380     14.97101734    -14.05563978
  O     16.62040596     15.22419361    -13.25396638
  H     14.86564290     12.66038071    -16.89552414
  H     15.47208509     14.14698546     -9.86553311
  O     15.60184669     13.27500367     -9.47768564
  H     10.34998490     13.32393832    -13.21292550
  H     16.15982032     12.79289620    -10.10568979
          69
 Energy    -248.20657233094249     
  O     -3.93585016      0.84213817      0.19776205
  H     -4.40485061      1.50131482     -0.30721025
  H      2.21492289     -1.50425446      2.30019537
  O      0.67813094      1.37665099      1.45038462
  H     -2.99992620      0.90468886     -0.06359025
  H     -1.08880329     -1.19009959      1.92603536
  O     -3.94506711      0.24824089      2.94379753
  H      0.01965205      1.05532656      2.09240252
  H     -1.02656877     -1.76383634      0.46975156
  O      1.88176035     -0.53058565      5.36000342
  H      0.94670834      2.24334109      1.74782497
  H     -2.17158142     -4.85595294      2.28063013
  O     -3.32127656     -4.34704265      6.73197053
  H     -4.03991508      0.57561571      2.04044448
  H     -1.99048892     -3.32219017      2.06214521
  O     -0.80297443     -1.06764702      5.42634142
  H     -4.21917163     -0.68095892      2.92739911
  H      0.60501052     -2.70033416      1.63743320
  O     -5.18664439     -2.46842390      5.74760540
  H      2.12014259     -0.55643612      4.41831265
  H      1.40417320     -3.83028740      2.32366229
  O     -1.32798402      0.91030379     -0.53463026
  H      2.68929626     -0.69662398      5.83897545
  H     -3.98408842     -3.06181299      2.80474291
  O      0.78505284     -5.07831827      3.45570869
  H     -4.01863953     -3.75668437      6.41021857
  H     -5.01942600     -2.54498763      3.82963150
  O     -0.93363723     -5.21339761     -0.67450960
  H     -3.43145349     -4.39159445      7.67919581
  H      1.51405242     -3.39698051     -0.06048929
  O     -1.19153751     -6.33936752      1.76737957
  H     -0.88943023     -2.02468140      5.31326517
  H      2.19206645     -3.65953347     -1.42587384
  O      2.41303981     -0.63010496      2.66116764
  H      0.13965818     -0.87172729      5.53084968
  H     -0.99075036     -0.19060092      3.89028925
  O     -1.02022606     -1.99995325      1.40414250
  H     -6.02175291     -2.20575578      6.12607352
  H     -2.15511911      0.33527135      2.99987813
  O     -2.51097465     -3.99000142      2.53567577
  H     -4.59466112     -1.69564861      5.81018393
  H     -1.52668614     -2.24208902     -1.60450354
  O      1.48147945     -3.11240889      1.67885890
  H     -0.58943057      1.13526985      0.04335424
  H      0.01431739     -2.22705468     -1.39453626
  O     -4.72693582     -2.44745541      2.91670371
  H     -1.07769453      0.09455301     -0.98995642
  H     -3.52950863     -2.94611109     -0.95340393
  O      1.34650468     -3.50540595     -1.01311710
  H      0.23349361     -4.67649122      4.13994581
  H     -3.51498092     -3.65525607     -2.32552230
  O     -1.19548446      0.23217738      3.04400580
  H      0.18783067     -5.62143959      2.92638269
  H     -2.57366166     -0.53817487      5.74542738
  O     -0.77435671     -1.66967245     -1.40112801
  H     -0.12743411     -4.71509606     -0.85362986
  H     -3.68907210      0.07551057      4.86520531
  O     -2.95912410     -3.41460445     -1.58866531
  H     -1.66780296     -4.65993640     -0.96851516
  H     -1.86103809     -4.05872387      5.68352018
  O     -3.52130841     -0.34616903      5.71697205
  H     -1.43165400     -7.25867382      1.69059842
  H     -1.69328623     -3.83480581      4.16512779
  O     -1.22519583     -3.78079403      5.01004751
  H     -1.06767404     -6.00254100      0.86180369
  H     -4.34535813     -1.01512142      0.08926284
  O     -4.48962424     -1.96909653      0.10891411
  H      1.93271227      0.00796802      2.12258821
  H     -4.71864717     -2.18952298      1.01981673
          69
 Ord_Energy   -248.206360    
 O  -0.968237579       5.43879175       3.38396001    
 H  -0.882369101       4.64715958       2.82926536    
 H   -1.41183317       6.10381460       2.84425712    
 O   -4.35164404       1.28442681       3.73616767    
 H   -4.16060686       1.49054456       4.65990353    
 H   -4.34300470       2.13592577       3.26907325    
 O   -6.17950439       3.76287055       5.85950518    
 H   -5.44018507       3.20375013       6.12444019    
 H   -5.86571836       4.67433071       5.90944624    
 O   -3.21217966       4.80691385      0.263255656    
 H   -2.56080842       4.26265049     -0.193680197    
 H   -3.46709323       4.33331776       1.07203317    
 O   -5.85654497       1.36276269     -0.186535478    
 H   -6.20585871       1.26827633      0.717311502    
 H   -6.38929749      0.799210131     -0.742528260    
 O   -5.09299898       6.45296431       5.79810715    
 H   -5.14725399       6.79821014       4.88789606    
 H   -5.25182438       7.18740797       6.38405561    
 O  -0.613153815       3.11886120       1.89519548    
 H  -0.678114414       3.09174895      0.932246566    
 H   0.240586951       2.75199914       2.16343880    
 O   -6.59021759       5.12528753       2.14677453    
 H   -6.53782272       4.83026600       1.22449756    
 H   -7.18408728       4.53912878       2.63101196    
 O   0.469022810       3.67863774       5.19048882    
 H   0.999296904       3.19662499       4.54325438    
 H    7.93034732E-02   4.41625786       4.70784712    
 O   -1.32218492       3.01701140     -0.823240936    
 H   -1.93703449       2.26820874     -0.701924384    
 H  -0.919309020       2.90998006      -1.67969847    
 O   -3.02820230       1.03834367     -0.252795011    
 H   -2.74588943      0.732510328      0.619512498    
 H   -3.98861146       1.12550652     -0.226592630    
 O  -0.890060782       1.68519866       6.52341843    
 H  -0.455687612       2.44823837       6.10346556    
 H  -0.450664103       1.55448806       7.36076927    
 O   -2.61340261       7.06169367       1.69975221    
 H   -2.82626891       6.32288647       1.10401583    
 H   -2.40345454       7.80927610       1.14480340    
 O   -3.64313030       2.35791230       6.20503283    
 H   -3.40822959       3.21996236       5.82321930    
 H   -2.79464769       1.97115552       6.44972181    
 O   -7.92924404       3.30443668       3.82448053    
 H   -8.81117535       3.29843307       4.18743610    
 H   -7.32051897       3.42770314       4.57471657    
 O   -5.95177794       4.20816278     -0.352164507    
 H   -5.93770409       3.24249101     -0.369759709    
 H   -5.02715206       4.48545313     -0.347813874    
 O   -3.03877759       4.74680948       5.03811693    
 H   -3.60321569       5.46754313       5.34474993    
 H   -2.27535725       5.10691071       4.56873035    
 O    1.63106978       2.01075506       3.14931130    
 H    1.12320578       1.27266026       3.53452420    
 H    2.51316881       1.68765819       2.99056125    
 O   -1.82642005E-02  0.165748879       4.23695278    
 H  -0.747021854      0.150258437       3.60074568    
 H  -0.376607180      0.541648984       5.05029058    
 O   -6.75173807       1.15254271       2.36015034    
 H   -5.96841526      0.996430278       2.90642118    
 H   -7.25206947       1.83667231       2.81978416    
 O   -5.09243631       7.19752121       3.21736550    
 H   -4.27146244       7.20320415       2.71376109    
 H   -5.68786001       6.57342958       2.77582526    
 O   -2.04650521      0.689569056       2.37019110    
 H   -1.65491307       1.57013655       2.28707314    
 H   -2.86115623      0.788019240       2.88458204    
 O   -4.17193317       3.80820704       2.65041137    
 H   -5.03202581       4.23157978       2.52261758    
 H   -3.78828263       4.17470264       3.45799136    
          69
 Energy    -248.20573235100224     
  O     12.67877275     11.96680583    -14.67984422
  H     12.86508107     11.24520692    -15.29589446
  H     13.34462871      6.54875823    -16.33187165
  O     14.96979929      6.44814315    -13.63613361
  H     12.12199657     11.59257626    -13.98696003
  H     17.31354582     11.09444400    -15.65289148
  O     17.06948745      9.90662457    -10.57304362
  H     15.86014299      6.18251979    -13.37969722
  H     16.24150354     12.21209371    -15.56812102
  O     18.02793165      9.68823264    -14.67085063
  H     14.46778047      6.67737781    -12.84114979
  H     16.26635579      9.28204215    -14.45600425
  O     11.79841190      7.67419324    -16.10141798
  H     16.55417123     10.40808355    -11.22188822
  H     15.21713574      8.19141472    -14.05837816
  O     14.99692477      9.35489238     -8.81634784
  H     16.47690666      9.77090836     -9.82025494
  H     11.10755786      9.73385345    -12.93763818
  O     13.41494300      7.34987597    -11.53125527
  H     18.34577426      8.85687740    -15.04128124
  H     10.19146649     10.87987822    -12.44671781
  O     15.40185823     11.12766358    -12.40424467
  H     18.49661709      9.83549424    -13.83637587
  H     17.16786336      8.04047683    -10.77628995
  O     16.43959792      7.52933887    -17.26321242
  H     12.36166659      8.46100937    -16.20384933
  H     17.45831714      6.76040639    -11.60189524
  O     14.90301787      6.50035446     -9.32061435
  H     11.10032346      7.74881136    -16.74745423
  H     11.95627688      7.62007127    -12.76214130
  O     18.54825202      7.10623255    -15.69217736
  H     14.29087892      9.67858038     -9.39195408
  H     11.47535788      7.79674542    -14.23281388
  O     14.23096723      6.17168332    -16.30855089
  H     14.90580759      8.39474514     -8.81145346
  H     18.57174857     10.01236435    -11.54740123
  O     16.76396920     11.68624882    -16.18500816
  H     13.78721569      6.94667432    -10.73683409
  H     20.03014780     10.41006050    -11.82081480
  O     15.33274668      9.12957263    -14.25309806
  H     13.39396282      8.30225043    -11.35968600
  H     18.04899282      6.33741571    -14.11592571
  O     11.09389157     10.67239208    -12.67458779
  H     15.31603143     10.39343256    -13.03313061
  H     18.09896929      5.03323356    -13.29705692
  O     17.11560173      7.07571275    -10.75948351
  H     15.37770232     11.93316436    -12.93193453
  H     16.02840074     10.75397257    -17.44586641
  O     11.30160064      8.05720466    -13.32039181
  H     16.15290772      8.38837797    -17.58935130
  H     15.71574313     10.54183293    -18.94673709
  O     19.25745896     10.03353269    -12.23411345
  H     15.64241336      7.03751433    -17.01387763
  H     13.99934469     10.55520930    -11.42225938
  O     17.74163494      5.91899751    -13.29711894
  H     15.05296303      5.78594768     -8.70820673
  H     12.46685564     10.37652520    -11.41721300
  O     15.57750534     10.16773656    -18.08113382
  H     15.73472530      6.63198916     -9.81287148
  H     14.19557055     12.78116590    -14.46871959
  O     13.27403877     10.10584678    -10.96442838
  H     17.78343801      7.22232210    -16.28840898
  H     15.01365007     14.08609271    -14.31184868
  O     15.09357480     13.13637614    -14.33451382
  H     19.29520427      6.88825547    -16.24290592
  H     14.08973485      9.94621485    -16.99426534
  O     13.52964928      9.78583309    -16.22532673
  H     14.46155927      6.13141512    -15.36944290
  H     14.13669750      9.54962386    -15.50568479
          69
 Energy    -248.20567439935076     
  O     -7.08236627     -2.94521642      5.89343865
  H     -7.88452266     -2.48681756      5.60624923
  H     -3.95999405      1.63024857      2.80666685
  O     -6.42105918     -3.91707831      3.44276941
  H     -6.56944088     -2.30485884      6.39951044
  H     -6.88769263      0.23408322      2.79570705
  O     -4.35932755      1.13754425      1.07669591
  H     -6.66329985     -3.64009988      4.34405241
  H     -5.97376450     -0.76602875      3.55430101
  O     -7.20419797      1.00864203      6.04743404
  H     -6.50770240     -4.86644887      3.41926819
  H     -5.14837781     -1.03986379      8.12608610
  O     -6.29373802      5.36054282      1.19343241
  H     -5.32817646      1.19573384      1.04201974
  H     -4.86924418     -0.65954442      6.65269919
  O     -9.20135712     -0.56240007      1.19358179
  H     -4.15411683      0.23775161      0.80153814
  H     -1.90304189      5.03391885      3.39638207
  O     -9.09405093     -1.51262003      4.57603192
  H     -6.71285257      0.45249634      6.66353871
  H     -3.45095280      4.99637115      3.41947339
  O     -3.74383614     -0.26195655      5.40728670
  H     -7.02462502      0.63280736      5.16885060
  H     -9.38196085      2.31741050      2.74618305
  O     -4.03922384      3.91825264      0.69148878
  H     -6.44415593      5.99115359      0.49443235
  H    -10.03614375      1.39908705      3.79631735
  O    -10.33439394     -2.76854999      2.42599597
  H     -5.51260553      4.83828886      0.93640838
  H     -4.25059192     -1.82916561      2.38848576
  O     -4.32849320     -1.63050640      0.52650473
  H     -9.54765088      0.15661114      1.74650633
  H     -5.01991603     -2.72256953      3.38984981
  O     -3.79441201      1.98836654      3.69022183
  H     -9.69439482     -1.35075805      1.45762679
  H     -7.68985191     -1.80273220      1.01821217
  O     -6.76983871     -0.22805182      3.63377059
  H     -9.54778688     -0.77800111      5.00579896
  H     -6.92917015     -2.90275166      1.79356157
  O     -5.57372786     -0.89290075      7.28576112
  H     -8.32939084     -1.12528075      4.12263562
  H     -8.98302541      1.05186872      5.91539734
  O     -2.65550804      4.50947716      3.13773518
  H     -3.84431280     -0.93959269      4.72348711
  H    -10.42978158      1.33583227      6.38531154
  O     -9.95202079      1.54403898      2.84752931
  H     -3.68066520      0.57300383      4.92687583
  H     -5.48654683      4.89656160      4.25430178
  O     -4.46542073     -1.93343296      3.32357466
  H     -4.08084828      2.95318506      0.67416726
  H     -5.53006794      5.70554745      2.94545994
  O     -6.90548596     -2.36212162      0.99525483
  H     -3.43427427      4.14206904      1.40949667
  H     -5.33241284      2.72961245      4.33382843
  O     -9.92064554      0.94614664      5.67957571
  H     -9.96080825     -2.41721612      3.25039531
  H     -6.50590457      2.57724996      5.32939283
  O     -5.05470664      5.62166028      3.78143851
  H    -11.17260121     -3.15904853      2.66032421
  H     -7.39939763      1.99233600      1.56108083
  O     -6.12152942      3.17462337      4.67742616
  H     -5.27169073     -1.86712740      0.59772484
  H     -7.81434107      0.60158807      0.97430791
  O     -7.06036666      1.17108493      1.17845722
  H     -3.96590337     -2.15824707     -0.17966057
  H     -7.47576583      4.16971090      2.00713440
  O     -7.87142561      3.45500109      2.52188830
  H     -3.26383270      2.78612681      3.57075485
  H     -7.32195047      3.35890622      3.31331410
          69
 Energy    -248.20553229201801     
  O     14.20146339     11.84295122    -14.70231362
  H     14.87137231     11.33293921    -15.18016107
  H     15.86826409      6.56676604    -16.07841354
  O     13.42753231      6.59805754    -12.11939251
  H     14.45278859     11.82776362    -13.77035641
  H     15.11876626      7.35506128     -9.64000345
  O     16.92463170      4.32800407    -10.14490562
  H     12.53880255      6.63153114    -12.49295634
  H     14.60542559      6.44531674    -10.78079702
  O     11.68864713      4.36491454    -14.63623583
  H     13.87061757      7.40116490    -12.43835028
  H     15.48278960      8.66160969    -13.57951648
  O     11.67330090     10.98369651    -14.99760692
  H     16.33702323      5.09892738    -10.06916781
  H     14.55844245      9.65397308    -12.82946811
  O     14.85779471      7.73736199    -17.13505801
  H     16.94943490      3.91782728     -9.28407243
  H     16.64158398      9.71393880    -15.35218844
  O     14.74472172      9.02989229     -9.13001323
  H     11.41706011      3.45245523    -14.57370448
  H     15.70727711      9.46496805    -16.53311002
  O     18.97289074      5.60954657    -11.69120094
  H     12.64567497      4.36903386    -14.47705798
  H     10.98207379      8.64757058    -12.86797993
  O     12.87986129      8.50678804    -15.40385184
  H     12.56761561     11.36343321    -14.90742360
  H     11.24045471     10.08911454    -13.35497007
  O     16.32619427      3.21732908    -12.70324777
  H     11.14207250     11.63172547    -15.45100316
  H     14.96949094      4.07270593    -13.47310565
  O     18.33483159      4.53740782    -14.28715005
  H     14.54517541      7.61282766    -18.02781933
  H     14.07058245      5.32710115    -13.23836496
  O     16.28306143      6.05659377    -15.37180950
  H     14.08000327      7.96271916    -16.59631333
  H     11.16355865      6.03069765    -14.06129119
  O     15.33239124      6.56157954    -10.15279941
  H     13.94857822      9.41429366     -9.51787218
  H     11.71009683      7.42339780    -14.42269190
  O     14.58749078      8.78086104    -13.23808099
  H     15.47593677      9.58795549     -9.42024167
  H     11.94443549     10.86058204     -9.84737245
  O     16.06799732     10.16843102    -15.98321801
  H     18.40061197      5.07900148    -11.12127301
  H     12.03034546     10.03780128    -11.14947175
  O     11.13208947      9.55003553    -12.56148350
  H     18.85718277      5.26025588    -12.58339586
  H     16.99664078      7.53343977    -14.50598996
  O     14.36564612      4.69350750    -13.90760048
  H     13.49226725      8.62196500    -14.65979624
  H     17.42389953      8.21753867    -13.17090382
  O     11.18732820      6.94974786    -13.75972084
  H     12.38155968      9.33243807    -15.45772688
  H     13.96077401     11.11740577    -11.38886708
  O     12.55592897     10.39270052    -10.41087111
  H     17.08533843      3.51103003    -13.22199529
  H     15.51458100     11.09584132    -11.47110003
  O     17.19318309      8.38625130    -14.09415227
  H     16.50146423      3.49647311    -11.79573244
  H     17.68556944     10.86100944    -10.09146489
  O     14.71174529     11.27658436    -11.97693208
  H     17.67373490      5.06740186    -14.76080934
  H     17.23613309      9.55652190    -10.78545908
  O     16.92194747     10.41037187    -10.44353852
  H     18.93970030      4.20529963    -14.94648781
  H     16.73081221      7.46703250    -11.00871297
  O     17.52304251      7.89005145    -11.36637258
  H     15.57117789      5.58907194    -14.90919324
  H     18.18500382      7.18775679    -11.44982856
          69
 Energy    -248.20551803021033     
  O     16.93116564      9.76774149    -15.70131980
  H     16.11302615      9.53803883    -15.23717400
  H     13.14799733      3.10413931    -16.90601705
  O     14.01486089      6.44212772    -15.91487833
  H     17.65819241      9.62529231    -15.08619642
  H     18.55505425      3.53712433    -17.28642347
  O     18.30750703      4.69482857    -12.26595267
  H     14.97987898      6.38431079    -15.80586959
  H     17.72801724      3.03056441    -16.08937951
  O     18.19670007      4.42810440    -18.92596179
  H     13.74824219      5.61937457    -16.34583788
  H     18.50311845      6.02711312    -18.05979254
  O     15.53698063      4.75495565    -19.01937046
  H     18.00668124      5.58731423    -12.50265749
  H     18.12848804      7.53841105    -17.85665665
  O     15.41700621      6.39462481     -9.40553833
  H     18.96966223      4.44912356    -12.92231588
  H     16.94766471      6.46072353    -14.66781040
  O     13.82803742      5.44800253    -13.23074075
  H     18.50581871      4.12876647    -19.77644075
  H     17.34072496      6.30488672    -16.17151955
  O     17.36546559      7.12273370    -13.02009363
  H     17.22627496      4.50248156    -18.98950472
  H     14.59642406      8.65196997    -13.52744098
  O     16.01126143      3.38049141    -15.39968545
  H     15.29634875      5.69352748    -18.99736135
  H     14.18798849      8.18563896    -14.93972287
  O     14.05006983      4.16443159    -10.63354443
  H     14.90466644      4.31398835    -18.44298057
  H     20.93450390      3.74269355    -14.34259807
  O     20.18385036      6.98807429    -15.21203363
  H     15.29820126      6.71383411     -8.51434974
  H     19.60095125      3.84220580    -15.11361088
  O     13.79271476      3.80580672    -16.94307599
  H     16.28254715      5.95186277     -9.43117497
  H     15.30012857      3.50314221    -11.85447449
  O     18.63283113      3.17111255    -16.39728634
  H     14.54744647      4.80195619    -13.20107474
  H     16.69249230      3.82347357    -12.48048111
  O     18.56828608      6.77724636    -17.45531473
  H     13.74869848      5.73629164    -14.14661537
  H     18.06583690      4.87807900    -10.49062826
  O     16.69297054      6.04955410    -15.50368781
  H     16.53939195      7.41626186    -12.61442426
  H     18.19186503      4.34225474     -9.05634929
  O     14.59521564      8.91288697    -14.45634417
  H     17.92162640      7.89018232    -13.20298923
  H     15.56144164      8.00581065    -18.49631339
  O     20.11127437      4.22379592    -14.37738422
  H     16.31115714      4.30210637    -15.46759650
  H     14.42745066      7.30890187    -17.71434592
  O     15.81682777      3.46073032    -12.67053672
  H     15.91770460      3.19781092    -14.45461825
  H     14.44406496      6.88324675    -12.33552296
  O     17.78726700      5.03397457     -9.57447249
  H     13.57709873      4.59754209    -11.35391634
  H     15.03541558      7.35487217    -10.98873748
  O     14.82489220      7.38805949    -18.58745251
  H     14.44504610      4.88182726    -10.12238932
  H     19.74910286      9.67822209    -13.57314978
  O     14.88808079      7.62892533    -11.90201581
  H     19.73225917      6.93837328    -16.06717334
  H     19.55976976      8.37146640    -14.38577066
  O     19.08730170      9.09034013    -13.92595941
  H     20.21597562      6.08499454    -14.87770877
  H     17.29189693      9.78868861    -18.80815271
  O     17.12598157      9.02619577    -18.26100889
  H     14.54543629      3.52858481    -16.39226822
  H     17.04626193      9.34788574    -17.34309483
          69
 Energy    -248.20538949025300     
  O      9.58830954     11.55398161    -10.88116700
  H      9.73843750     11.57294419    -11.83302831
  H      8.71118996      9.14364889     -9.07296420
  O     13.81401738      8.87797044    -16.91315867
  H     10.04248343     12.31992573    -10.50323364
  H     12.87490901     11.76876972    -11.87415367
  O     11.68116779      8.35393692    -10.89485197
  H     12.84855189      8.82394552    -16.79007162
  H     11.87370411     12.27314078    -12.93671826
  O     14.45688180      9.16336220    -14.20211537
  H     14.02627296      8.34656600    -17.67517935
  H     16.17996564      9.50566067    -11.20179100
  O     13.20812216     12.34326422     -8.38125194
  H     10.89364868      8.52741324    -10.36511951
  H     16.38000397     11.06438809    -11.18497191
  O     13.51872418     11.72622754    -16.56244198
  H     12.24504270      9.13931218    -10.79663798
  H     16.43902842      7.30177315    -12.53044603
  O     11.68618791      8.92368027    -13.58541279
  H     14.65197016     10.11007898    -14.14229774
  H     15.33508813      8.31061545    -12.92207703
  O     13.91932149      8.43302627     -7.55413872
  H     14.33872639      8.96084457    -15.13935107
  H     14.66973258      7.37651882    -10.70421462
  O     13.30080357     10.56223872    -10.62633676
  H     14.07814428     11.98127628     -8.15147490
  H     13.17180352      7.41353834    -10.33663535
  O     11.70203787     10.25142192     -7.60817416
  H     12.56650402     11.72828181     -7.98557296
  H     15.85178904     13.18191015    -11.48103609
  O     14.38474118     13.77449930    -10.68874415
  H     14.07348233     11.92187566    -15.79659838
  H     17.33179672     13.33625110    -11.90299225
  O      9.60180817      9.36173885     -9.33214889
  H     13.72460585     10.81639864    -16.80936515
  H     10.39409131     11.64986129    -14.55042673
  O     12.72783459     12.46581944    -12.53276757
  H     12.63583203      9.01316535    -13.73687829
  H     10.80395658     10.53256506    -13.56738070
  O     16.09067060     10.30326674    -10.66598939
  H     11.58010374      8.58718720    -12.68546884
  H     14.07652256     12.15068157    -13.61112373
  O     15.83376409      7.94623087    -12.17159093
  H     14.00655904      7.97290193     -8.40641454
  H     15.61306040     12.21371790    -13.53849226
  O     14.04967716      7.19842669     -9.98952388
  H     14.06491830      7.77760689     -6.87629069
  H     10.43217173     12.38362160    -17.04666333
  O     16.57790714     12.75635681    -11.97178940
  H     14.25424802     10.40843962    -10.65422396
  H     11.76188771     11.86030615    -16.45536094
  O     10.41132381     11.41741095    -13.61425991
  H     13.13441462     11.06135804     -9.81754345
  H     15.84010654     10.64813660     -8.83275114
  O     14.88569879     11.90080943    -14.08648483
  H     12.36554786      9.55087286     -7.56314460
  H     14.99976769     10.00817781     -7.71858180
  O     10.79269918     11.80113592    -16.38343149
  H     10.96082864      9.90988982     -8.12190219
  H     11.29125357     14.51696093     -9.91518936
  O     15.44651907     10.82765670     -7.96878261
  H     14.07993548     13.41791041     -9.84759617
  H     11.77729367     13.28777548     -9.14266262
  O     11.04162879     13.62777905     -9.67086885
  H     13.71037218     13.52261114    -11.33671607
  H     10.87854927      9.86041101    -16.44725169
  O     11.16738444      8.94563911    -16.34088276
  H      9.54505186     10.16033814     -9.89036110
  H     11.18959929      8.78903164    -15.38602360
          69
 Energy    -248.20528757447190     
  O     17.97620576      9.03535964    -10.36157378
  H     18.33629722      9.56007979     -9.63542893
  H     18.48663518     11.35039669     -8.37236318
  O     13.92031484      9.39331398    -10.46155957
  H     17.74239147      8.16735093    -10.00965825
  H     19.80709266     10.21023386    -12.61407375
  O     21.62018993      7.44946983    -12.00177351
  H     13.12375932      9.89371320    -10.62483396
  H     19.08060200      9.15829021    -11.73333197
  O     15.45712287     10.23841470     -8.16118608
  H     14.61830987      9.79060079    -11.01033436
  H     20.18525854      5.03338953    -13.54719404
  O     22.89501025      8.85371382     -9.91350919
  H     20.96474648      8.11960286    -12.24663669
  H     21.17382007      6.20378701    -13.41808740
  O     16.82722926      8.07732313     -7.09678772
  H     22.21880239      7.88673182    -11.38443028
  H     18.25343935      5.76769203    -12.86074474
  O     21.32459249      7.36511100     -8.28672594
  H     14.86876132      9.87222574     -8.82858045
  H     17.48986103      4.78291647    -11.94913101
  O     19.55965146      8.71245195     -6.49887938
  H     15.89543323      9.48684699     -7.73415355
  H     16.03326985      9.63175711    -12.77191132
  O     17.50026815      6.51038312     -9.31678110
  H     22.36726945      8.34193829     -9.27298936
  H     16.71710349      9.77650857    -11.38104064
  O     16.98454160     12.40684356     -8.58487072
  H     23.79700078      8.83122956     -9.60454546
  H     15.55338746      8.33079303    -14.94927477
  O     17.57400034     12.47493338    -11.37245211
  H     17.70451913      8.23883325     -6.73124170
  H     16.77486295      7.86752114    -14.12556089
  O     19.13868976     10.64003070     -8.36014445
  H     16.96907193      7.42616469     -7.79716429
  H     21.88104589     10.47233928     -9.99104423
  O     19.60573313      9.27043877    -12.54081859
  H     20.84206998      6.71791914     -8.81528516
  H     21.01340803     11.50998071    -10.76268932
  O     20.67460485      5.68273926    -14.06267023
  H     20.70585444      7.72178343     -7.63820302
  H     14.26266869      7.70744017    -11.31348478
  O     18.34999077      4.95065859    -12.35409743
  H     19.42368573      9.45076960     -7.11971716
  H     14.94749220      7.37582950    -12.65795782
  O     16.06671806     10.18052637    -11.97937329
  H     19.87762763      9.09331676     -5.68389994
  H     18.81193081      8.06261144    -13.57803293
  O     15.88619442      8.25721230    -14.05825317
  H     16.91133543      5.91034070     -9.78924954
  H     19.18133601      6.76336901    -14.31945387
  O     21.29624163     11.23260916     -9.88325204
  H     18.40542331      6.26273859     -9.55307151
  H     19.18058076     12.24432959    -11.99657454
  O     14.55426200      6.97706538    -11.87197355
  H     16.39037202     11.64935865     -8.42487089
  H     20.31596013     12.72472945    -12.93238120
  O     18.42868322      7.30606234    -14.04756152
  H     16.68683226     13.11438797     -8.01988301
  H     15.35751394      5.57412372    -11.28374134
  O     20.06121010     12.01714500    -12.34673302
  H     16.97057361     11.79674191    -11.70372975
  H     15.30195563      4.14031935    -10.69875869
  O     15.90051156      4.84185556    -10.93997747
  H     17.38022110     12.55686069    -10.43056720
  H     19.46808716      5.39466743    -10.97528580
  O     20.00807046      5.86593305    -10.32488841
  H     19.92306708     10.92085647     -8.85732136
  H     20.60808294      6.41146917    -10.85220773
          69
 Energy    -248.20519589636399     
  O     15.61562779      3.74499749    -13.75476304
  H     15.69227783      2.81932338    -13.96915969
  H     15.17668445     11.20847210    -14.12877683
  O     14.74647314     12.09034611    -11.05709942
  H     16.06751998      4.23780808    -14.46457381
  H     16.16909744      8.18323224    -13.51219276
  O     17.38136950     11.91413981    -12.16764798
  H     15.67574561     12.10657755    -11.31568108
  H     16.06928443      7.04023173    -12.44374698
  O     15.28065519      5.70763802     -9.41083853
  H     14.24591815     11.98541659    -11.87689415
  H     12.93430923      6.89858836    -11.24426094
  O     12.81558593      7.65314072    -14.54563076
  H     18.00353800     12.63119587    -12.26326903
  H     13.67522407      5.81532401    -10.44583068
  O     13.49113588     11.08119800    -13.38878353
  H     16.99616844     11.76061495    -13.04699621
  H     16.30555527      4.77685951    -12.40097513
  O     14.48320908     11.07841856    -16.98108630
  H     15.53022100      6.63340962     -9.23807941
  H     16.21570825      5.40541033    -10.96839001
  O     16.82221188      5.27205438    -15.60713648
  H     15.34287677      5.24589628     -8.57898065
  H     13.87904349      4.58604335    -13.77977017
  O     16.89432825      8.76880819    -15.06862477
  H     12.80875469      6.69492967    -14.38590037
  H     12.95172400      5.26476069    -12.75454282
  O     14.99772407      7.26045334    -16.34778736
  H     12.92094920      8.04346514    -13.67036616
  H     17.69401864     10.19904244    -11.36957971
  O     19.03282607      6.99706470    -14.87991276
  H     12.91427195     10.93586391    -14.14802221
  H     16.98623708      8.85266570    -11.62151536
  O     16.06000028     11.31744195    -14.50964241
  H     13.41100728     10.28658474    -12.84292449
  H     18.31035145      6.34138049    -11.96548875
  O     15.80451626      7.94699007    -12.65013972
  H     13.65702079     10.81405802    -16.55536980
  H     18.75981114      7.79749103    -11.71939391
  O     12.93658992      5.95463094    -11.05072367
  H     15.08841773     11.31957998    -16.27211204
  H     15.21486991      8.94166669     -9.11187935
  O     16.67894399      5.44808106    -11.81514978
  H     17.61449498      5.78158565    -15.40430765
  H     16.65043946      8.67712812     -9.61065236
  O     13.06465823      5.09402226    -13.70173759
  H     16.17270628      5.89617083    -15.96109366
  H     14.87784843      9.03256553    -19.46378045
  O     17.66706653      9.28062329    -11.07910849
  H     16.25242400      8.29175128    -15.61539883
  H     14.67271031      9.69344235    -18.08759716
  O     19.00610875      6.98177751    -12.17221077
  H     17.71640545      8.26269579    -15.07634290
  H     14.14913625     10.87184956     -9.97052533
  O     15.94157492      8.30883402     -9.06741621
  H     14.22661522      7.37800772    -15.78048305
  H     13.17767106     10.45209977     -8.83933519
  O     14.68891022      8.83856883    -18.55003477
  H     14.83631779      7.71827767    -17.18642668
  H     12.30656454      9.17981103    -15.36696730
  O     13.77258830     10.10666933     -9.49968459
  H     19.09680601      6.97996916    -13.90818986
  H     11.26417656     10.10494841    -16.03234925
  O     12.13850178     10.09383598    -15.65060271
  H     19.92188785      6.92747727    -15.21658749
  H     13.39114296      9.13264164    -11.02362009
  O     13.35243616      8.71166406    -11.89244886
  H     16.39496220     10.43620844    -14.73940351
  H     14.25530106      8.42165448    -12.11547389
          69
 Energy    -248.20499518991679     
  O     -0.80452703      1.76293928     -3.37887625
  H     -1.36672361      2.50736187     -3.18131657
  H      1.87096844     -1.36896235     -3.48467712
  O     -0.27493613     -4.54294645     -5.01134455
  H     -0.62530131      1.79270576     -4.33606008
  H     -2.34948645     -7.04907111     -3.70451212
  O     -1.48666113     -3.50239881     -1.39011570
  H      0.24762781     -4.44111703     -4.20382449
  H     -2.87446464     -5.61517748     -3.88350832
  O      1.95727249      1.50818057     -2.72178781
  H     -0.90717864     -5.25836240     -4.85103009
  H     -4.56603419     -3.73574117     -3.21555618
  O      0.97281346     -4.09116714     -2.54907286
  H     -2.27592140     -3.77982765     -1.86836191
  H     -3.18023123     -3.39164671     -3.80805134
  O     -0.46269689     -1.00177759     -6.54768919
  H     -1.39521906     -2.55840659     -1.57388030
  H      3.03922402      1.61504170     -5.79545149
  O      5.09413801     -1.80555571     -7.33406421
  H      1.99165275      0.58975138     -2.43149437
  H      2.90482390      1.40191047     -4.24700619
  O     -0.85383613     -0.91832786     -2.51183901
  H      1.02292356      1.69811829     -2.87466959
  H      4.79522424      0.02768563     -4.76254863
  O      4.64224597     -2.01201021     -2.39457701
  H      1.34341352     -3.20263833     -2.47807454
  H      5.45045560     -1.10647205     -5.55864964
  O     -0.25144214      1.73066789     -6.02659593
  H      0.13902873     -4.06245155     -2.05768341
  H      0.09718246     -1.96824976     -9.58625224
  O      2.22635749      2.13805956     -7.38895247
  H     -1.14096095     -1.42863457     -6.01088353
  H      0.15763054     -1.62870476     -8.07846066
  O      1.93066174     -1.40041485     -2.51468188
  H      0.37649616     -1.10817416     -6.06923997
  H      2.46341721     -2.04723922     -5.53794463
  O     -2.29531021     -6.28558092     -4.27528405
  H      5.75459327     -2.25536890     -7.85501050
  H      2.46822874     -0.49554611     -5.29615585
  O     -3.66136458     -4.03471796     -3.25976820
  H      4.54918218     -2.49709991     -6.91567470
  H     -1.57149237     -1.85978980     -3.91070328
  O      3.37195131      1.11104913     -5.04432873
  H     -0.94307212      0.01347813     -2.75113652
  H     -1.33970064     -3.11362657     -4.81583629
  O      5.38015997     -0.73890991     -4.67094574
  H      0.09212992     -1.07463535     -2.39162976
  H      3.68435597     -0.76063770     -8.09007775
  O      0.65901135     -2.01619274     -8.81633898
  H      4.95481181     -1.57653289     -3.20846565
  H      2.23073888     -0.92413997     -8.60653867
  O      1.93157509     -1.29810979     -5.23706444
  H      5.33509617     -1.91357980     -1.74703732
  H      2.73752527     -3.94904873     -6.55933798
  O     -1.94564197     -2.37520043     -4.64042530
  H     -0.43898121      0.82347133     -6.30422234
  H      3.56076854     -3.94656758     -5.21436672
  O      2.91413647     -0.27346619     -8.40696939
  H      0.55144375      1.98406456     -6.49643999
  H      4.06101005     -3.72952464     -3.04949163
  O      3.44199576     -3.50317081     -6.06556291
  H      2.46580309      1.29181069     -7.80964443
  H      2.76699639     -4.57093121     -3.10729247
  O      3.63929889     -4.46774135     -3.50719990
  H      2.50637162      2.82894005     -7.98321331
  H      0.98960106     -3.69825911     -7.91598500
  O      1.26525979     -4.44115247     -7.36671755
  H      2.85867233     -1.57678379     -2.30912201
  H      0.64939135     -4.49537209     -6.62197632
          69
 Energy    -248.20484111594226     
  O     16.58709002     10.18554127    -11.54658897
  H     17.24966799      9.49861805    -11.69841292
  H     13.83378444     11.37344142     -8.04032874
  O     14.21091803      6.73094118     -6.26132816
  H     15.79154530      9.88715797    -12.00895774
  H     17.30263979      3.05097988    -11.90883301
  O     16.48983157     12.44495600     -9.92534993
  H     14.10554188      6.19382249     -5.48093190
  H     16.52004460      4.35687083    -12.13582605
  O     12.27817853      8.41924792     -7.56653955
  H     14.73360308      7.50929665     -5.99712022
  H     15.34651406      7.50229567     -8.98647107
  O     14.45393862      8.92970300    -12.80157564
  H     15.54226146     12.55498116     -9.78271424
  H     14.82667573      6.42345854     -8.01015748
  O     18.14235987      7.91147842    -12.02809788
  H     16.57943657     11.75277968    -10.59593239
  H     18.46822330     12.74238338     -7.48519736
  O     20.39902658      8.84607827    -10.86040994
  H     12.77509518      9.24613704     -7.49380170
  H     17.67729005     12.19692323     -8.70177369
  O     17.67809126      6.04892548     -9.94638203
  H     12.80180555      7.75968929     -7.09831121
  H     16.97080825      7.59510220    -15.01936304
  O     11.42972127      8.21151770    -10.11786047
  H     14.16933198      8.19506746    -12.23705475
  H     17.15117195      7.66393863    -13.48540262
  O     12.77130836     10.51270293    -11.16436882
  H     15.04742782      8.54144580    -13.45605845
  H     16.60356866      9.22120132     -8.47912314
  O     13.65690783     12.51818438     -9.56216434
  H     17.90093745      7.25014659    -11.36697459
  H     16.08850465      9.54983700     -9.91847397
  O     14.05216151     10.58615518     -7.53043870
  H     19.01556034      8.24499439    -11.77097883
  H     19.81274448     12.20602314    -10.93464575
  O     17.25919784      3.96403121    -11.64011867
  H     20.38590718      9.79659368    -10.67986377
  H     19.60559318     11.73403538     -9.49506842
  O     15.15670555      6.55213029     -8.90640500
  H     20.26493068      8.40752127    -10.01222903
  H     15.04771093      9.70394376     -6.13284086
  O     18.40706904     12.00307726     -8.08454651
  H     16.80568250      6.14943077     -9.54189206
  H     16.47212303      9.11275482     -6.09921124
  O     16.49423690      7.55277786    -14.19448746
  H     17.64209153      5.25022395    -10.49370053
  H     12.77776124      7.17499113    -10.89372306
  O     15.84195885      9.15835115     -9.07287749
  H     10.48910007      8.05645367    -10.12908818
  H     14.12975285      6.60910751    -10.40487661
  O     20.12268457     11.56696595    -10.29501047
  H     11.69710612      8.25485718     -9.18188524
  H     20.16719295      6.78500396     -8.07359060
  O     15.59010964      9.02091066     -5.71612444
  H     12.24228710      9.79603423    -10.79295311
  H     18.92710803      6.86930780     -8.99144080
  O     13.61011215      6.79406039    -11.20021577
  H     13.29391357     10.10828540    -11.86758947
  H     18.59255114      8.73492838     -7.64291819
  O     19.57169565      7.40141050     -8.49334407
  H     13.33008458     11.82070755    -10.15918154
  H     18.21917203     10.25440648     -7.50985124
  O     17.94191247      9.35490763     -7.28904621
  H     13.08938144     13.27336796     -9.69145267
  H     14.57701063      5.69306097    -12.40333496
  O     15.24986958      5.27678061    -12.95724157
  H     14.64552567     10.07510459     -8.10449168
  H     15.63296302      5.98487694    -13.48868252
          69
 Energy    -248.20478219491304     
  O     17.69077062     12.29862735    -17.89854633
  H     16.92707086     12.35520345    -17.29566098
  H     17.42996232      4.71658740    -11.42654284
  O     15.21406465      6.20025473    -13.12218728
  H     17.66606405     13.07659175    -18.44835839
  H     20.46130131      8.41332967    -17.02637899
  O     18.46423495     11.85473950    -12.30860001
  H     15.04887878      6.36656086    -14.05693749
  H     20.58174272      9.73458159    -16.25668538
  O     21.40317399      7.75854557    -13.88715979
  H     14.86186525      6.94954034    -12.62592094
  H     17.80804067      8.26029685    -15.35521110
  O     14.60639223     11.36484586    -10.86739644
  H     19.03745191     12.43476652    -12.82886991
  H     16.90939919      9.29167388    -14.61928757
  O     14.86340810      8.58228029    -11.57453596
  H     18.83992213     10.96783985    -12.40159336
  H     15.13340003     11.35373628    -16.37304470
  O     20.08427111     13.09708409    -14.13739552
  H     22.33414407      7.58646960    -13.77589466
  H     15.61195474     12.32953397    -15.26109915
  O     19.31381851      5.79743697    -14.10066279
  H     21.29321174      8.13485341    -14.77918062
  H     18.22120240      8.57225174    -11.44010149
  O     15.26385980      9.68567121    -14.05930880
  H     14.06455838     11.80593737    -10.21843216
  H     17.57894627      7.24583113    -11.01754763
  O     17.74124900      6.58480335    -16.16007361
  H     15.48903565     11.25351185    -10.46797668
  H     14.89809905      9.43977521    -15.74815384
  O     15.02338563      6.46121420    -16.01762681
  H     14.59062315      9.45335027    -11.26183236
  H     14.73567207      8.30003525    -16.72231765
  O     17.53449035      5.55700510    -11.86569062
  H     15.77855477      8.45984497    -11.27843359
  H     17.67047597     11.35826046    -10.68026889
  O     20.97438365      8.85515136    -16.33946071
  H     20.96587720     13.41389129    -14.31565250
  H     17.33496045      9.97789838    -10.07201093
  O     17.81597991      9.10894900    -14.89760144
  H     19.89748086     12.42468179    -14.81270814
  H     20.17988112      8.79948658    -12.90366087
  O     15.57451045     12.19504991    -16.21600491
  H     20.05015281      6.39864519    -13.93729277
  H     18.78514466      9.15035818    -13.44853841
  O     17.54961710      8.19615230    -10.85170054
  H     18.80890969      5.73052023    -13.28099483
  H     16.78505837     12.17599376    -13.01556631
  O     14.84571537      9.25782195    -16.69971004
  H     15.07159111      9.21298993    -13.24162891
  H     15.32315244     12.13744129    -12.51027643
  O     17.13174182     10.91908555    -10.00685139
  H     15.45028804     10.60194896    -13.81205505
  H     19.36416867      7.45011550    -19.15008519
  O     19.35455359      9.23639133    -12.66677646
  H     18.32155320      6.21064849    -15.47811316
  H     18.45091918      8.39985426    -18.33731705
  O     15.86264665     12.24013599    -13.30482769
  H     18.27820108      6.83169614    -16.92286672
  H     18.79008241     10.47095165    -15.62766967
  O     19.16300300      7.73741094    -18.26364711
  H     14.70802400      5.66589179    -16.44072870
  H     18.89916115     11.58694911    -16.69853672
  O     19.38258979     11.14799447    -15.98746136
  H     15.99320144      6.45369316    -16.10321453
  H     17.35179457     10.47695248    -18.34551172
  O     17.14835141      9.53463065    -18.35675147
  H     16.70648779      5.72155147    -12.35231938
  H     16.35428761      9.42733050    -17.81680989
          69
 Ord_Energy   -248.204391    
 O   -1.72572613       7.08827734       1.61843586    
 H  -0.781220794       7.27164841       1.52346659    
 H   -1.98593211       7.41847754       2.49006653    
 O    1.58951402       3.69502234     -0.428525299    
 H    1.36897123       3.65019631      0.514891207    
 H    1.38702059       4.59002161     -0.722174168    
 O   0.763666630       6.33254242      -1.21417344    
 H  -0.189940646       6.13536549      -1.18005919    
 H   0.946634412       6.65308332      -2.09379411    
 O   0.351068109       1.23178801E-02   1.52497804    
 H   -1.92060191E-02 -0.853065193       1.68519759    
 H   0.425575435      0.445381910       2.39072394    
 O  -0.476391196       1.79192293     -0.527508676    
 H  -0.190584645       1.14760637      0.132027447    
 H   0.273177713       2.38488173     -0.671112001    
 O    4.36090422       3.02716994       4.52155495    
 H    3.74234915       3.41475725       5.15696335    
 H    4.13329887       2.09325981       4.45461130    
 O   0.660823166       8.89402771       3.74951410    
 H   0.823132396       8.54673481       2.85765696    
 H   0.958199978       9.80078316       3.74713159    
 O   0.943556905       3.60483956       2.27487636    
 H    1.02629185       2.82478881       2.83509231    
 H    1.56979598E-02   3.87722492       2.29439402    
 O    2.42582941       4.09269571       6.20834208    
 H    1.61665606       3.57669687       6.29027414    
 H    2.14418411       4.97428513       5.93290758    
 O    2.67309165       5.67852211       2.55876803    
 H    2.09172654       4.90524435       2.48242283    
 H    3.57542515       5.35938454       2.44086766    
 O   -2.67295909       3.22953033       5.23919985E-02
 H   -3.45677614       2.77179933     -0.238154650    
 H   -1.91119349       2.67545152     -0.197805494    
 O    3.45582223      0.353661686       4.21841812    
 H    3.47742915      0.241459996       3.24904060    
 H    3.89053249     -0.405089408       4.59680414    
 O   0.858333886       1.32964551       3.91557932    
 H    1.74090946       1.00353408       4.14151335    
 H   0.476319253       1.73068249       4.70596266    
 O   -1.68436122       4.42926693       2.37782526    
 H   -2.11879420       3.92170453       1.68109882    
 H   -1.72317541       5.35650921       2.10047102    
 O   -1.03355742       5.08946180       5.01693726    
 H   -1.32099223       4.81872940       4.13299465    
 H  -0.173363432       5.52794552       4.93099689    
 O   -1.87635911       5.83001518     -0.879199266    
 H   -2.19278836       4.94358206     -0.668462455    
 H   -2.02963972       6.36348724      -8.66659880E-02
 O    5.10061073       4.36932898       2.32594419    
 H    6.03066492       4.57243538       2.36902571    
 H    4.88254023       3.86993623       3.13610625    
 O    3.26289582      0.163326904       1.55565071    
 H    2.33305907       6.00606091E-02   1.33041537    
 H    3.57887435      0.954227805       1.09127986    
 O    1.05535901       7.52748966       1.33100486    
 H    1.68228447       6.91517162       1.74626017    
 H    1.01767302       7.26644278      0.402258694    
 O    1.43911803       6.41578674       4.89991522    
 H    1.97093248       6.13069296       4.14101982    
 H    1.23138976       7.34139490       4.73240757    
 O   -1.96277738       7.78994608       4.27354956    
 H   -1.79357159       6.95493603       4.72494316    
 H   -1.11849129       8.25816250       4.24576902    
 O    4.03514290       2.52465773      0.378229082    
 H    4.42933369       3.17205739      0.974123955    
 H    3.28183627       2.95995212      -4.10623997E-02
 O  -0.151174411       2.73777413       6.12837458    
 H  -0.626321018       2.50814867       6.92315435    
 H  -0.548609376       3.55948091       5.79389906    
          69
 Energy    -248.20434142426285     
  O     14.61593758     10.79626228    -13.05798470
  H     15.55535263     10.80516532    -12.82542211
  H     14.44769216     13.84825431    -16.11389954
  O     17.55365157     12.25330668    -14.56339693
  H     14.48219725     10.22841902    -13.82385903
  H     18.39967690      9.94985251    -17.06493271
  O     15.50305420      7.68149664    -11.52489619
  H     17.69367320     11.57498498    -15.23445904
  H     17.59540473      9.38044956    -15.87173718
  O     11.43197470     12.67907641    -13.26808009
  H     16.84765281     12.81659425    -14.90404103
  H     14.18977390     14.39537340     -9.51901962
  O     12.93530804     14.08991498    -17.08730261
  H     15.21615658      7.35305960    -12.38721442
  H     14.56476460     12.97546996    -10.00584197
  O     15.04977152     11.05737895    -16.86007293
  H     14.78475870      8.23024413    -11.19194705
  H     17.79482574      8.22742585    -13.79901889
  O     14.07006115     13.46697724    -12.99158877
  H     12.32266158     13.05523399    -13.30758683
  H     16.63499245      7.61797167    -14.60465596
  O     13.82291553      9.20546723    -15.21332701
  H     11.31155564     12.43607110    -12.33927788
  H     14.83887994     10.73079067     -9.99254481
  O     18.06349835      8.45443628    -11.94542995
  H     12.87924431     13.35361046    -17.70811923
  H     16.12210494     11.38238502    -10.56656133
  O     11.73527108     11.99811429    -10.61863398
  H     12.10525560     14.07530391    -16.59550455
  H     11.40294006     10.99057276    -14.01932665
  O     10.60848354     11.15706934    -16.91818048
  H     15.07062237     11.89017093    -16.36403998
  H     10.98536679     10.35563138    -15.36691768
  O     15.13832788     13.49347472    -15.53453650
  H     15.95077310     10.70973242    -16.86411118
  H     14.43898382      6.15812117    -14.50703680
  O     17.64819079     10.12012387    -16.50341993
  H     14.09564768     13.73967535    -12.06698407
  H     14.45735489      7.70173981    -14.60024067
  O     13.99092803     13.74225970    -10.18415248
  H     14.26482182     12.51479059    -12.99993809
  H     13.71805634     11.34788460    -18.02484277
  O     17.44925044      8.12746819    -14.69457314
  H     14.20030453      9.80576285    -15.86990482
  H     13.13664237     11.42740123    -19.45415607
  O     15.44548579     11.47105598     -9.88029337
  H     12.92402092      9.50236072    -15.01143361
  H     11.23375052      8.98950619    -13.07469669
  O     11.33316828     10.14729560    -14.48706452
  H     18.67060504      8.02716738    -11.34757460
  H     10.42463487      8.17925977    -12.05116069
  O     14.90737902      6.93322971    -14.20826637
  H     17.16826648      8.15173838    -11.70501958
  H     17.44046956     11.57154391    -12.90772561
  O     12.93227195     11.59858893    -18.53815079
  H     12.19494866     11.15248089    -10.57321335
  H     17.63064546     10.25998243    -12.06180628
  O     11.31083540      8.46317544    -12.26366989
  H     12.39353850     12.66005330    -10.37007676
  H     10.73059752     13.39252037    -14.75298922
  O     17.17457424     11.10982940    -12.09742197
  H     11.34286462     11.23595713    -17.53943223
  H      9.76178115     14.33511383    -15.49901101
  O     10.47555699     13.71635014    -15.63281063
  H     10.44516796     12.05138954    -16.59096912
  H     12.67011162      9.10741944    -11.26113362
  O     13.42568050      9.59942266    -10.90618729
  H     14.80680909     13.60522477    -14.63241640
  H     13.81645911     10.06673379    -11.66331194
          69
 Energy    -248.20419491424309     
  O     14.77444532     13.82552650    -15.39468829
  H     14.58129801     13.46691803    -16.26699844
  H     14.94070206     10.82107428    -15.03594000
  O     17.49150107      9.04629485    -16.77888066
  H     15.34679189     13.17019098    -14.96537774
  H     17.34485152     10.78062240    -17.24077386
  O     14.92828159      9.72730646    -11.61328696
  H     18.11024120      8.82088880    -16.07548136
  H     16.33347045     11.90502202    -17.58157557
  O     18.59971114     14.99408869    -14.04668442
  H     16.69158035      8.53888375    -16.58855800
  H     14.21503544     11.44576306    -16.92905092
  O     15.13872511      7.87566248    -15.75006518
  H     15.54124258      9.27680359    -12.20972557
  H     13.80485328     11.93359050    -18.33786611
  O     13.52731627      7.64257981    -10.50417134
  H     15.31009661     10.58568763    -11.38286997
  H     18.54139742     13.82639207    -12.44925858
  O     15.10783850      5.98139879    -12.22420857
  H     19.26710106     15.67258304    -14.12715824
  H     18.78178144     12.32377029    -12.47673096
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  H     18.74397833     14.37990485    -14.78247002
  H     13.25742160     13.72886858    -12.61348634
  O     12.66122476     10.49565726    -13.14890092
  H     14.50323803      7.22028346    -15.43636568
  H     13.36740099     13.46325506    -14.12024250
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  H     14.69706700      8.73846146    -15.73035542
  H     18.14614007      8.32993038    -13.89556727
  O     18.92851775     11.27167416    -14.00426498
  H     13.38333626      7.73670243     -9.56628776
  H     19.56797005      7.78609134    -14.16944643
  O     14.16500475     10.41967434    -15.45869619
  H     14.03064264      8.42452035    -10.79014230
  H     12.76022747      6.73564926    -13.96509165
  O     17.26095179     11.73470979    -17.39075118
  H     14.56700665      6.39018830    -11.53640216
  H     12.73978640      5.44889316    -14.82351369
  O     14.41022409     12.10145737    -17.62051639
  H     14.52377655      5.87175036    -12.98560731
  H     14.23321894     15.35550875    -10.83545150
  O     18.51514546     13.04389888    -11.88724618
  H     15.97823272     11.96143371    -13.18058139
  H     14.98649128     15.07485602    -12.15850206
  O     12.86156832     13.22426522    -13.33356500
  H     17.09179229     11.55720283    -14.17174740
  H     15.40165049     13.06864711    -11.26414520
  O     18.98126693      8.51302779    -14.36068639
  H     12.60491740     11.46301007    -13.16254045
  H     16.86531651     12.54818193    -11.39500564
  O     13.31526686      6.13381864    -14.49351284
  H     13.42186146     10.26678584    -12.59669836
  H     12.31227987      7.68179433    -11.99846728
  O     14.47247715     14.66013144    -11.44171942
  H     16.16544062      7.29573830    -12.84742451
  H     11.99306160      8.76429383    -13.04175568
  O     15.93731004     12.27037692    -11.35062294
  H     16.05696479      8.07382215    -14.17622418
  H     16.80020035     15.47335746    -13.70365036
  O     11.93578034      7.81296279    -12.87768534
  H     19.07659540     10.33317712    -14.17342341
  H     15.42161200     15.16172976    -14.30780221
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  H     19.17960783     11.77683316    -14.78697705
  H     18.42141010     12.69190529    -16.59760479
  O     19.14242587     13.14318007    -16.11962326
  H     13.48216488     10.40398676    -14.77533747
  H     19.85125231     13.25136552    -16.74847950
          69
 Energy    -248.20406056829705     
  O     -1.53107650      2.66585961     -6.33320404
  H     -1.16925780      2.20783923     -7.10649231
  H     -3.24679415      2.50739132     -7.17665235
  O      2.93459695     -1.41198569     -7.39788071
  H     -0.76606761      2.98270368     -5.83942344
  H     -4.58194698     -1.42184905     -6.77947312
  O     -2.16366248     -3.91624852     -6.33128755
  H      2.95626757     -2.02955095     -6.65904923
  H     -3.75109902     -2.72683335     -6.92677152
  O     -5.02322747      0.24069697     -5.94261547
  H      2.42669040     -1.86186533     -8.08798970
  H     -3.02480629      0.39554101    -10.06332340
  O     -0.45187654      1.34075286     -8.53268822
  H     -2.05236189     -3.10223165     -5.82034131
  H     -3.09100053      1.61827798    -11.00626755
  O     -2.68186458      0.88370657     -4.50882914
  H     -1.25285558     -4.19524329     -6.50842290
  H     -3.82632008     -1.58511007     -8.96676671
  O     -0.99936038     -1.28759873     -8.14999998
  H     -4.72766144      0.90194418     -6.59475430
  H     -3.04187036     -2.12127240    -10.20454191
  O     -2.44952623     -3.72204973    -10.65327111
  H     -5.93848110      0.43240852     -5.75326110
  H      0.34923331     -2.23150997     -8.81473764
  O     -1.48573195     -1.45439711     -5.39330457
  H     -1.10566650      1.54740330     -9.21007128
  H      0.89558117     -3.31552477     -9.79927356
  O     -3.02410684     -5.45828851     -8.44024327
  H     -0.57266302      0.39186222     -8.36572217
  H      0.70804272     -0.18951171     -3.90694349
  O     -0.31324156     -6.24865703     -8.84618191
  H     -3.57275367      0.68353777     -4.82155377
  H      1.30936549     -0.22092573     -5.33698791
  O     -3.99545936      2.10236614     -7.63277143
  H     -2.31009162      1.52357336     -5.13437832
  H      2.26867824      0.21102114     -7.04895988
  O     -4.38387372     -2.15699909     -7.37388309
  H     -1.80939085     -1.37043532     -8.66963143
  H      1.09637126      1.15023918     -7.45730818
  O     -2.82739517      1.34656817    -10.13087706
  H     -1.22455379     -1.39663225     -7.21743191
  H      1.92324048     -2.32711931     -4.79370516
  O     -3.30352035     -1.31355242     -9.73660048
  H     -2.71441029     -4.33178982     -9.95269321
  H      2.95814308     -3.39782104     -4.38357979
  O      1.12338188     -2.77247596     -9.03584623
  H     -1.54985019     -3.97257332    -10.89182903
  H     -1.11658331      1.07008620     -3.36827302
  O      1.08359145     -0.77702239     -4.57931984
  H     -1.97094136     -0.68601969     -5.06831650
  H      0.17892895      1.87586210     -3.59924595
  O      1.72505503      0.95691261     -6.75033101
  H     -0.57572464     -1.34571875     -5.08869974
  H      1.61679878      3.65783984     -4.90175491
  O      2.37177000     -3.13759277     -5.08972010
  H     -3.87337724     -5.85671370     -8.26584464
  H      1.34749942      2.30571163     -5.59830004
  O     -0.19167978      1.13830727     -3.09799289
  H     -2.80690713     -4.91846571     -7.66208343
  H      0.77138996     -3.88350388     -7.62287676
  O      0.95964455      2.97463180     -5.00926575
  H      0.08306490     -5.82396903     -8.07370378
  H      1.16918197     -4.15143182     -6.16233609
  O      0.55913745     -4.43274864     -6.85368227
  H     -1.26828158     -6.16379251     -8.72887269
  H      0.09864952     -5.29268915    -10.26535111
  O      0.25115890     -4.63112999    -10.96414653
  H     -3.68276675      1.89519658     -8.52180404
  H      0.67468398     -5.08561666    -11.68727120
          69
 Energy    -248.20388616061274     
  O     12.34212943     11.55286654    -14.58193692
  H     12.88033428     12.24829128    -14.18472596
  H     15.00908712     12.17469526    -16.21436835
  O     15.91758553      6.96661451    -14.06481296
  H     12.82020262     11.25213812    -15.36273857
  H     14.87945345      9.88542607    -15.07803141
  O     17.41708913     10.21781243    -11.10920980
  H     16.65476621      7.17023830    -13.46894549
  H     15.54317535      8.73209999    -14.25803709
  O     17.72633558     11.01448812    -15.17917230
  H     15.14210447      6.79293003    -13.51465662
  H     10.12435128     10.14084657    -12.84613885
  O     12.44856201      8.31000454    -16.83577830
  H     17.30806347      9.84337828    -10.22615175
  H     11.46565746     10.46849391    -13.54534129
  O     14.34057416      8.09474669     -8.94977269
  H     16.56354462     10.59773804    -11.36409390
  H     17.70253644      6.79366658    -10.98658435
  O     13.77804076      6.77818551    -12.34045501
  H     16.96774748     10.52122925    -14.82846740
  H     17.34761104      7.23564642     -9.55746401
  O     14.99766726     11.14293426    -12.06841708
  H     18.21906973     11.35405381    -14.41712797
  H     12.46895167      7.06634436    -13.68212991
  O     17.08636182      7.10697678    -16.55027077
  H     12.23831511      7.95679407    -15.95483754
  H     11.47546973      8.23069870    -13.84573225
  O     14.83106374      5.49577646    -10.08556718
  H     11.89629076      7.83455954    -17.45027832
  H     19.91446611     11.73389294    -12.55937908
  O     19.08477350      8.45332388    -14.96723868
  H     14.38245451      7.16983194     -9.22171263
  H     18.52500971     11.21451304    -12.15353310
  O     15.55530789     12.81194496    -15.73892151
  H     13.82186424      8.54838495     -9.62796907
  H     18.54800346      8.02063855    -13.28909744
  O     15.42778512      9.68832417    -14.30844144
  H     14.06296077      6.21814108    -11.60761341
  H     17.82856488      8.67128634    -12.06761715
  O     11.02399616      9.84107381    -12.94520487
  H     13.59894017      7.65106889    -11.96215855
  H     15.96651453      8.67544631     -8.72675832
  O     17.36270813      6.46808739    -10.14206659
  H     15.11804771     10.60705339    -12.87077066
  H     17.10131430      9.11002362     -7.76879968
  O     11.85953466      7.47531019    -14.30829623
  H     14.73977609     12.02028932    -12.37267549
  H     17.15398508     10.25595277    -16.93131817
  O     19.00698026     11.68597412    -12.85085142
  H     16.59932753      6.95974837    -15.72218060
  H     16.72768918      8.82195730    -17.28929633
  O     18.02530142      7.82820510    -12.49726938
  H     17.09063280      6.27438964    -17.01607769
  H     13.77589650      9.97132244    -11.42002578
  O     16.91128794      8.90976647     -8.68131354
  H     14.81053671      4.62176130     -9.70591904
  H     12.33564219      9.46836755    -11.68269084
  O     16.57002255      9.74993125    -17.50841061
  H     15.76699098      5.76385887    -10.12694134
  H     14.73382276     13.31193495    -14.27776355
  O     13.14739056      9.26959473    -11.19965506
  H     18.56913583      7.93531510    -15.59765842
  H     14.10603634     14.38423307    -13.35587687
  O     14.19468736     13.44285221    -13.47703025
  H     18.81059905      9.36775249    -15.10260075
  H     13.45921293      9.72870291    -16.79321341
  O     14.07363083     10.46615641    -16.64883977
  H     16.40848088     12.37979710    -15.60889357
  H     14.90175121     10.23037589    -17.09694148
          69
 Energy    -248.20384477998908     
  O     -1.10787583      3.46736193      2.49404092
  H     -1.32276188      4.26243900      3.00551066
  H      0.67428925      8.20574726      0.93653396
  O     -2.86979283      5.35603273     -0.86884225
  H     -0.39500108      2.98227951      2.92440464
  H      1.90424857      1.92466624      0.10074539
  O      4.04764086      5.84981105      1.80355405
  H     -2.79037878      4.49726486     -0.42416045
  H      0.59889782      1.12613790      0.13142936
  O      1.62455389      7.20915813      2.08367614
  H     -2.02036540      5.53454434     -1.30170376
  H     -0.04217101      4.10748948     -2.58897601
  O     -0.32036051      5.70385496     -1.77166822
  H      3.92229130      5.85680197      0.83756753
  H     -0.61350899      2.97062829     -3.46687148
  O      2.21807464      3.46362657     -0.99869191
  H      4.96907401      6.04166607      1.95716556
  H      1.02424102      8.14072733     -1.16626454
  O      0.53167563      4.92325155      0.71583422
  H      2.52927084      6.87863305      2.00848138
  H      1.73475149      8.51160778     -2.49135662
  O     -2.39213059      7.31092580      1.08937941
  H      1.36943100      7.11700815      3.01040947
  H     -3.59830853      0.67467736     -2.19132454
  O     -0.80974773      1.24811502     -1.11438527
  H     -0.05753529      5.44592520     -0.87278109
  H     -3.30027211     -0.68614038     -2.86667702
  O     -1.62226451      5.91601228      3.54171994
  H      0.26514633      6.42860104     -2.01858507
  H      3.06506832      4.77556812      3.12709414
  O     -2.58320492      2.86885310      0.29508132
  H      1.66194105      3.92372410     -0.34966301
  H      2.13346980      3.62818365      3.61152686
  O      0.08846752      8.54551040      0.24299946
  H      1.65665473      3.29165535     -1.76651771
  H     -3.85887570      4.71829170     -2.26226775
  O      1.39158595      1.31814550      0.64946905
  H      0.87350085      5.67615399      1.21190384
  H     -4.89369718      4.83186169     -3.40240786
  O      0.12284963      3.19969410     -2.88067828
  H     -0.03406632      4.41063675      1.30582420
  H     -2.46834240      1.66776439     -3.79181063
  O      1.53682828      7.78003938     -1.91296468
  H     -3.17815803      7.83876455      1.21839401
  H     -2.93299521      3.13277184     -3.84268663
  O     -2.91420685      0.15902920     -2.65474657
  H     -2.62565522      6.63533783      0.43409174
  H      1.30620659      1.26949948      3.78830800
  O      2.50053824      4.48749565      3.85393313
  H     -0.44237536      1.90156450     -1.72811705
  H      1.30173633      1.74775213      2.31755455
  O     -4.29720657      4.22353079     -2.97288407
  H     -1.43499127      0.71489374     -1.62023667
  H      1.47420088      5.74174350      4.47672014
  O     -2.23517654      2.53705729     -4.14063434
  H     -1.79695747      6.47216384      2.77341592
  H      1.13777811      6.78884708      5.56851032
  O      1.20764899      2.04426267      3.24118518
  H     -0.81720078      6.23999759      3.96456651
  H     -4.05296875      2.16414636     -0.63449760
  O      0.91535202      6.51391217      4.68351099
  H     -1.96088127      2.30733390     -0.18831040
  H     -4.68918418      2.62624856     -1.95286707
  O     -4.60606526      1.86213614     -1.36911467
  H     -2.18593071      3.02327012      1.16330659
  H      3.19023354      5.05114573     -1.05970037
  O      3.52180693      5.93478806     -0.84673855
  H     -0.78509408      8.20001728      0.45740932
  H      2.90687733      6.56430782     -1.23967633
          69
 Energy    -248.20349953355191     
  O     14.13517433     12.56187179    -11.40269835
  H     15.00154655     12.14611433    -11.48960662
  H     10.46584843      4.28254598    -11.45467280
  O     17.86291447      9.28770725     -8.10625923
  H     14.02889949     12.73506357    -10.45895501
  H     13.42294369      6.11708264    -13.87066626
  O     16.45856272      6.54469926    -12.18083233
  H     18.37507784      9.62818762     -8.84937104
  H     14.75159434      6.34723665    -14.59469783
  O     13.57749009      4.67805486    -11.33804559
  H     16.99206946      9.70356685     -8.17573271
  H     11.25061226     10.35878788     -8.73455941
  O     18.85249086      7.29537142    -10.93441754
  H     15.82068871      6.19327358    -12.81455358
  H     11.50556416     11.10433844    -10.06439485
  O     17.82394263      6.58935563     -8.33829957
  H     16.08333936      6.39629600    -11.30059396
  H     16.12488381      7.98369014    -16.16416672
  O     16.51583292     10.94326792    -11.17548352
  H     13.93657328      4.88491644    -12.20928877
  H     15.61143364      8.36671061    -14.76693977
  O     13.68427721     12.60013241     -8.54607936
  H     14.20105070      5.03042879    -10.69027874
  H     19.05911736      9.03170039    -10.80040305
  O      9.94822744      7.60629326    -10.47662447
  H     18.63561261      6.94747738    -10.06056001
  H     19.99820540     10.26039175    -10.80453960
  O     15.35972882     10.35936608     -8.69321191
  H     18.15385782      6.97057886    -11.51760270
  H     16.19647703      6.14275850     -9.12735554
  O     13.43162458      8.51167571    -11.83385769
  H     18.27664192      6.18471766     -7.60327497
  H     14.79654955      6.77612140     -9.36255763
  O     10.92112960      5.11931591    -11.41351760
  H     17.82165841      7.54977548     -8.17326378
  H     12.66624694     11.56652136    -11.83872071
  O     14.33677136      5.80441114    -13.90738101
  H     16.09228089     10.72382917    -10.33268138
  H     12.52158033     10.03513816    -11.81902949
  O     11.42902884     11.22924223     -9.10883378
  H     17.45456461     10.75143901    -11.05524674
  H     11.37572154      6.24011790    -12.82323328
  O     15.47401626      7.75292833    -15.50612669
  H     12.83114092     12.14708412     -8.67594305
  H     11.16168094      7.64616017    -13.44163297
  O     19.10527297      9.98649396    -10.61330331
  H     13.52069619     13.33963332     -7.96766924
  H      9.41112755      9.59969655    -13.38249157
  O     15.38769132      6.06486938     -9.64876759
  H     10.23952682      6.72384401    -10.74046711
  H     10.71519060      9.87159593    -12.60174759
  O     12.00855858     10.85689900    -11.85771762
  H      9.91069961      8.13790159    -11.27975578
  H     10.56155349      8.25597905     -7.45754854
  O     11.76363769      6.89161488    -13.42372895
  H     14.75770324      9.60759755     -8.78285695
  H     10.60551672      8.20393908     -9.00489049
  O     10.11703952      9.16847487    -12.90728207
  H     14.82339627     11.14570475     -8.53287270
  H     12.81655627      8.25667003     -8.72456209
  O     11.05872723      8.55155119     -8.21519366
  H     12.92681809      7.87372341    -12.35144750
  H     13.56439668      8.29401806    -10.09005447
  O     13.68720678      8.18715379     -9.13322220
  H     14.24058582      8.71349008    -12.32293086
  H     16.19300439      8.24607302    -12.72702396
  O     15.84006914      9.07387072    -13.08838665
  H     11.86685870      4.91782786    -11.29157607
  H     16.10779119      9.78839305    -12.49550763
          69
 Energy    -248.20345095125850     
  O     16.74710648     10.40314009    -16.92132212
  H     16.21711937     11.11381174    -16.54406202
  H     17.14673812      6.48022056    -11.52214590
  O     14.24652095      6.26491636    -12.97666164
  H     16.75909072      9.68248323    -16.26913491
  H     19.96396261      8.83536047    -17.19879948
  O     19.41645013      7.27097504    -14.79108952
  H     15.06951557      6.01137926    -12.54235840
  H     20.96738419      7.87841391    -17.88621640
  O     13.69264903      8.29562406    -17.15268523
  H     14.42017390      6.20336408    -13.92741824
  H     17.75263526      8.02516180    -14.95758762
  O     17.54747953     10.15645961     -9.18471987
  H     19.75995803      7.34283002    -15.68799608
  H     16.57157126      8.74405203    -14.22248836
  O     16.01801375      9.47826402    -12.66948500
  H     19.12009445      6.36094655    -14.63583961
  H     14.50111790     11.54466941    -15.37332574
  O     19.54709507     11.46081532    -13.98866884
  H     14.00878765      7.52766643    -16.65606825
  H     14.62923153     12.99722825    -15.89497176
  O     18.24647115      4.88102516    -14.25929845
  H     14.33834399      8.41991273    -17.85642632
  H     17.65512002      8.70889342    -10.26373986
  O     13.33115574      8.76646958    -12.65334935
  H     17.41545616     10.97819993     -9.68304970
  H     18.49484444      8.35262287    -11.52806071
  O     16.80226434      4.51624974    -16.70567133
  H     18.10337668     10.38908333     -8.44448754
  H     13.49477320      9.55663789    -15.87472706
  O     15.02414013      6.37396263    -15.62695864
  H     15.08274884      9.26752851    -12.55825885
  H     13.34504689      9.71223004    -14.33716677
  O     16.79460809      5.63966173    -11.85943164
  H     16.53540990      8.97710655    -12.02537593
  H     19.73646116      8.30647111    -13.36706270
  O     20.12324537      7.90585502    -17.44397935
  H     18.61797025     11.66773210    -13.79832184
  H     19.73013901      9.80574759    -13.02366106
  O     16.86327856      8.38515398    -15.07108117
  H     20.06026461     12.19737399    -13.66355962
  H     17.06847922     12.40231561    -11.60805975
  O     15.13361834     12.27001880    -15.54180081
  H     17.68918512      4.66526016    -15.01736862
  H     16.64347447     13.27627451    -10.42273553
  O     17.72343248      8.08593903    -11.00020957
  H     17.66629411      5.07715594    -13.51386752
  H     18.54336007      7.03073257    -17.99754608
  O     13.49093055     10.20270623    -15.15239755
  H     13.58142332      7.82899049    -12.74995779
  H     17.09351003      7.26593734    -18.48503404
  O     19.72254055      8.92936270    -12.62497584
  H     12.59817197      8.79491664    -12.04506752
  H     16.31475431     12.20261198    -14.10510477
  O     17.16769512     12.51142801    -10.65050930
  H     17.16169834      5.22619781    -17.26917055
  H     16.57886487     11.06101369    -13.09581135
  O     17.71063812      6.58421815    -18.19304084
  H     16.74026716      3.73703694    -17.25092606
  H     19.64780422     10.76469514    -15.76918368
  O     16.88833579     11.93863678    -13.37612873
  H     15.50806597      5.63897743    -16.02122267
  H     18.58799224     10.53187964    -16.85770673
  O     19.53066403     10.43135501    -16.66651832
  H     15.67525068      7.07445188    -15.46464765
  H     15.92850705      9.15153384    -19.78262174
  O     15.95536890      8.72496624    -18.92959550
  H     16.91683802      5.00027411    -11.16068455
  H     16.24523016      9.39737479    -18.28955263
          69
 Ord_Energy   -248.203247    
 O    4.09447527      -2.22374368      -1.33176339    
 H    4.50170898      -2.99280906     -0.942116261    
 H    4.46212769      -2.13725829      -2.22971201    
 O   -1.14001048      -1.12181425     -0.552181184    
 H   -1.38658595     -0.194887146     -0.449287534    
 H  -0.183099121      -1.14242387     -0.692364156    
 O    3.21884584       1.38579524      -4.08057022    
 H    2.85472083      0.701688230      -4.65470409    
 H    2.94019413       2.24255109      -4.43282366    
 O    2.03021336     -0.460672170      -5.80762291    
 H    2.73075986      -1.07447457      -6.05808973    
 H    1.42937303     -0.903791010      -5.19162655    
 O   -2.11042118       1.59772992     -0.689456880    
 H   -2.51561069       1.33446264      -1.53583491    
 H   -2.81319976       1.93803334     -0.141822815    
 O    6.71005392       2.16858411      -5.68527031    
 H    7.64564753       2.35461807      -5.67370081    
 H    6.49643040       1.76318800      -4.82761097    
 O   0.263714463      -1.19235873      -3.84632611    
 H  -0.599040687      -1.58096349      -3.65848327    
 H   0.753649294      -1.18562829      -3.01097298    
 O    3.30340314       2.31454611      -8.46014500    
 H    3.08290219       2.52968550      -9.36346149    
 H    2.46204209       2.19342422      -7.99284220    
 O    2.32696652       3.73720598      -5.16569233    
 H    2.05103612       4.34268904      -4.46567202    
 H    3.15633011       4.03898096      -5.56448603    
 O    1.36360300       5.10940313      -2.98383975    
 H    1.67320764       5.64449024      -2.25708127    
 H   0.822168469       4.40771055      -2.58958650    
 O    1.54619813      -1.07885337      -1.38784957    
 H    1.80457604     -0.147282422      -1.33045900    
 H    2.36190271      -1.59061468      -1.32314098    
 O   -2.97388148      0.753179848      -3.13051772    
 H   -2.88386989     -0.208159164      -3.13874459    
 H   -2.28925061       1.08608055      -3.72618961    
 O    4.66802168       4.01746655      -6.54850912    
 H    5.39958429       3.47948790      -6.22204590    
 H    4.29524469       3.53105044      -7.29469919    
 O    4.32254267      -1.90176904      -6.49446630    
 H    4.51982737      -2.59386134      -7.11949301    
 H    4.69576168      -1.07712090      -6.85794020    
 O    5.21427584      0.464546114      -7.41215897    
 H    5.78627396       1.02157557      -6.87016869    
 H    4.57287502       1.05402505      -7.82710171    
 O    5.17244577      -1.78599155      -3.77592659    
 H    5.52331924     -0.887883186      -3.71567774    
 H    4.90259886      -1.91076231      -4.69236135    
 O    2.38191295       1.54306281      -1.46008492    
 H    2.71555233       1.47798753      -2.36860514    
 H    1.57881939       2.07428217      -1.51926363    
 O   -2.24510098      -2.00337839      -2.86453199    
 H   -2.74120951      -2.81071806      -2.76335955    
 H   -1.90120268      -1.76853156      -1.98244452    
 O    5.81727314      0.960888982      -3.41035390    
 H    5.75529718      0.879402936      -2.44893146    
 H    4.90923834       1.14016902      -3.70594668    
 O    4.97903347      0.513144851     -0.805158973    
 H    4.13687229      0.986206651     -0.821179152    
 H    4.74351358     -0.421967834     -0.830677450    
 O   -1.56668592E-02   2.85808563      -2.08652806    
 H  -0.172420576       2.43378186      -2.94318151    
 H  -0.711338341       2.54237700      -1.49742460    
 O    1.06745434       1.93975019      -6.81708336    
 H    1.39793837       1.07456887      -6.52659893    
 H    1.44706178       2.62023044      -6.23559666    
 O  -0.564918101       1.44602811      -4.44732428    
 H  -0.222419813       1.68148077      -5.31524515    
 H  -0.246714726      0.553212106      -4.25031614    
          69
 Energy    -248.20311191912452     
  O     15.44495850     12.62304034    -16.46493133
  H     15.08978779     13.47709007    -16.69642701
  H     15.65621199      5.10021132    -14.43623884
  O     15.70097904      6.39105995    -13.14210231
  H     14.87881354     12.26927888    -15.75622255
  H     19.60904883      7.09317713    -14.94016279
  O     19.40915059      8.73121408    -12.22467349
  H     15.96853445      6.14152970    -12.25043148
  H     19.53705550      7.18995363    -13.40502432
  O     18.06389595      5.70400211    -17.70352403
  H     14.95935044      7.00662285    -13.04722771
  H     17.72994003     10.30747135    -18.02483524
  O     15.16910152      5.56956131    -17.59181212
  H     18.82572502      9.36019205    -12.68234110
  H     19.09573315     10.59613418    -18.69212496
  O     15.64608206      9.96657042     -9.53696914
  H     20.24935014      9.17145201    -12.11492165
  H     17.53718195      8.01410294    -15.45204638
  O     13.73409724      8.31493174    -12.79055612
  H     18.27564380      5.11520439    -16.96719836
  H     16.54537172      7.49088485    -14.34093120
  O     17.63814554     10.34631472    -13.55305969
  H     17.10354258      5.68727173    -17.78901709
  H     14.29538375     11.35203992    -13.67674194
  O     18.62168803      4.29163164    -15.25025881
  H     14.70782890      4.92473523    -18.12149112
  H     13.37467785     10.78020745    -14.77812584
  O     14.05337382      7.63728362    -10.06764208
  H     15.32805675      5.15733768    -16.72237720
  H     15.34461342      6.45272679    -10.21020250
  O     19.04488630      7.92961062    -16.46489915
  H     15.79381463     10.45644937     -8.73284498
  H     16.05561873      5.11427889     -9.88963148
  O     15.80534963      4.51316573    -15.18981785
  H     16.43052653      9.40400922     -9.67445187
  H     13.30722616      8.76446417    -15.87210505
  O     19.62043968      6.56192018    -14.12961464
  H     14.26199959      9.10847976    -12.61403369
  H     11.78222633      8.97246280    -15.70736796
  O     18.69230069     10.32501644    -17.87171350
  H     13.22308480      8.49787576    -13.58691189
  H     17.29634982      7.38975340    -10.13764471
  O     16.72345953      8.20663022    -14.96590034
  H     17.25795169      9.61445936    -14.06416513
  H     18.32208231      8.37693651    -10.74527119
  O     13.89175559     11.55553237    -14.53071516
  H     17.87779214     11.03079928    -14.19368614
  H     15.72606111     11.15716188    -17.60678020
  O     16.13618336      5.91607069    -10.39896543
  H     19.24325579      3.57965350    -15.12403932
  H     15.48031233      9.63788594    -17.77122951
  O     12.61928502      9.08892862    -15.26577688
  H     18.97925835      5.05931526    -14.76992113
  H     16.10533101     10.58526213    -12.63030584
  O     17.68957435      8.26428934    -10.02543344
  H     13.73319640      7.81716349    -10.96201715
  H     15.33242156     10.52325599    -11.28195627
  O     15.99589093     10.37883841    -18.11207983
  H     14.46078108      8.45947776     -9.76671276
  H     17.23604754     12.34582731    -15.89811203
  O     15.22085513     10.60746320    -12.23660409
  H     18.75908000      7.20469992    -17.04309950
  H     18.44685712     11.52181766    -16.36799555
  O     18.11670576     12.05075405    -15.63157376
  H     19.01830680      8.74939020    -16.97190120
  H     15.40696952      8.28089514    -16.13294686
  O     14.70381655      8.21410099    -16.79906498
  H     16.75102136      4.31603994    -15.17582577
  H     14.77856619      7.32949891    -17.17826174
          69
 Energy    -248.20307023794146     
  O     15.66567676     10.09753907    -17.27129132
  H     16.13379582      9.55976464    -16.61279591
  H     19.37605404      6.02361840    -11.53824672
  O     16.12426510      6.14245071    -12.62708698
  H     15.01184277     10.61637322    -16.78931290
  H     20.39200902      9.72597661    -19.05732502
  O     19.81998991      8.79927517    -15.69518510
  H     16.14774973      5.93716352    -13.57463531
  H     19.15272628     10.21875175    -18.26855483
  O     14.17253879      6.65714113    -16.89325695
  H     17.03756391      6.30484978    -12.36990205
  H     16.78081304      7.64297467    -15.39989662
  O     18.54670126     11.71671653    -10.31506477
  H     19.91736815      9.06127782    -16.61962021
  H     17.98662804      8.63053553    -15.53058792
  O     16.17619807      9.68117998    -13.06351098
  H     20.03411061      9.55504330    -15.13450283
  H     14.57088382     11.84614710    -14.91991497
  O     18.29338626     12.43351951    -15.30101710
  H     14.50504033      7.08038531    -17.69181107
  H     13.23401404     12.10096444    -15.64938970
  O     19.78150861      6.24377023    -14.63512923
  H     13.80000615      7.35741462    -16.33539428
  H     18.80469668      8.47649062    -11.89023418
  O     14.12923186      7.93422707    -12.41192933
  H     18.60517676     10.86995250    -10.78294002
  H     17.72756859      9.53319875    -12.24642387
  O     18.46671271      5.04115824    -16.87307300
  H     18.52639429     11.49955721     -9.38554920
  H     13.47227793      9.56746620    -15.17115267
  O     16.26091980      5.88457449    -15.35858354
  H     15.42786541      9.16629151    -12.73804596
  H     13.51904791      8.37956975    -14.18687957
  O     18.93028836      6.64920674    -12.10368974
  H     16.45164006      9.28659380    -13.90635184
  H     20.84108232     11.25347850    -13.31862114
  O     19.74995857      9.45954216    -18.40562669
  H     18.91137611     11.94889780    -14.74290668
  H     19.62961123     10.32668796    -13.08518384
  O     17.03117920      8.57666117    -15.40627268
  H     17.45408543     12.44292125    -14.82486214
  H     17.62900682     14.42680828    -11.76377692
  O     13.92719058     11.45573060    -15.53495695
  H     19.39453935      5.72007697    -15.34583403
  H     17.59597382     12.99817136    -11.20217460
  O     18.62643256      9.42497236    -11.89765857
  H     19.92547627      7.12311152    -15.01342056
  H     18.66548818      7.89993087    -18.58318865
  O     13.31724891      8.61975485    -15.09906750
  H     14.80358337      7.23025396    -12.44698584
  H     17.21508931      7.39890378    -18.79426540
  O     20.12092304     10.81481390    -13.76551705
  H     13.51680479      7.69604203    -11.72196023
  H     16.18403618     12.86059972    -13.07301870
  O     17.08534412     13.64358711    -11.71536426
  H     18.63589061      4.25295426    -17.38158895
  H     15.95905599     11.38029886    -13.47355399
  O     18.11005762      7.11172294    -18.57501949
  H     18.37132376      5.77131818    -17.51158355
  H     18.20327776     11.88777086    -17.01628880
  O     15.85984902     12.29332848    -13.78568814
  H     16.94789221      5.46490511    -15.88842295
  H     17.16838060     11.06333166    -17.79526550
  O     18.05034618     11.44949212    -17.86672002
  H     15.48357180      6.03408655    -15.92015204
  H     15.05653707      8.33298883    -19.88911991
  O     15.46587141      8.06993295    -19.06871325
  H     19.23740518      6.46859420    -13.01078960
  H     15.47958257      8.85703180    -18.49674990
          69
 Energy    -248.20296650687993     
  O     16.42902272      9.71244522    -11.52578795
  H     16.97825296     10.40510704    -11.13219964
  H     12.79146539      8.70530099     -5.42562787
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  H     17.03883735      9.07716454    -11.92694134
  H     18.22619648      2.85308412    -13.06248997
  O     12.66925520      5.94835134     -7.60980656
  H     15.41337321      4.91333142     -8.16974599
  H     17.20379743      4.00377071    -13.05258843
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  H     15.45901639      3.71497546     -7.19360165
  H     15.07240150      5.56419723    -10.46621260
  O     18.25424924      7.88072196    -12.58431742
  H     13.44031509      5.38983487     -7.45405342
  H     15.67731980      6.61496419     -9.50952879
  O     20.16402126      9.38745960    -11.12654495
  H     12.79171132      6.72376724     -7.04849224
  H     18.27794107     11.45162545     -6.74185453
  O     18.23960090      5.72050201    -10.84172186
  H     14.83498462      8.09414400    -13.53974077
  H     17.78799084     10.11247086     -7.33750561
  O     11.65459934      6.21096115    -10.10506822
  H     14.95614981      8.98320890    -12.30270238
  H     16.66064897      7.69157807    -15.42292517
  O     15.29819148     11.85163439     -8.58027358
  H     18.99019571      8.42060241    -12.27025681
  H     17.09425382      7.57872171    -13.94535956
  O     12.37860265      8.91996257    -10.69594302
  H     18.23109996      7.09445910    -12.01787000
  H     15.96266766      8.84205322    -10.04406465
  O     13.48627189      9.77983879     -8.34227273
  H     21.10849682      9.46839507    -11.22807437
  H     14.90188621      8.76788154     -8.91088114
  O     13.30673904      8.26450324     -6.09647922
  H     20.01224538      8.76036344    -10.39431801
  H     18.98905025     10.78159740    -10.57237751
  O     18.04449393      3.70117259    -12.66811879
  H     18.31708879      4.96131150    -11.43777675
  H     18.21246019     11.28658736     -9.33533211
  O     15.69500858      5.67169049     -9.73574761
  H     17.37197966      5.64805349    -10.42114748
  H     15.01873604      7.43374180     -5.77022801
  O     17.80608052     11.07383279     -7.47962720
  H     10.76623266      5.86459462    -10.09864018
  H     15.67974350      6.10292860     -6.15951997
  O     16.35933296      7.41738974    -14.56000065
  H     12.00322205      6.10447991     -9.20197992
  H     13.03650381      5.81723193    -11.28167887
  O     15.69490836      8.34417381     -9.26049693
  H     16.11665028     11.61417176     -8.12221142
  H     14.00519806      6.69707960    -12.10761337
  O     18.24945280     11.34050867    -10.29811044
  H     15.57856472     12.28493408     -9.38549453
  H     19.00287839      7.78029130     -8.47038134
  O     15.85572462      6.95384883     -5.73951082
  H     12.91382009      8.83955313    -11.49354946
  H     19.19568157      6.83399883     -9.68657882
  O     13.85045565      5.79213656    -11.80040560
  H     12.04439409      8.03258830    -10.51197124
  H     17.15976428      7.86351137     -6.62140377
  O     19.58382659      7.58440926     -9.21558278
  H     14.01085210     10.58764819     -8.43742233
  H     16.98107246      8.36333286     -8.05848242
  O     17.61244284      8.35305645     -7.32183633
  H     13.02242489      9.59696635     -9.17366827
  H     14.99302108      4.95479268    -13.05184795
  O     15.71913462      4.76669271    -13.66026293
  H     13.33773238      8.86332688     -6.86276614
  H     15.92289509      5.60784730    -14.08655554
          69
 Energy    -248.20290209941953     
  O      0.95608548      2.54204763      3.16780437
  H      1.46516320      1.72640911      3.23332234
  H     -0.72099965     -2.83510885      3.62502435
  O      0.32381868      3.32589321      0.47166336
  H      0.82775826      2.73620362      2.23148661
  H     -5.00222685     -0.08385516      4.81698506
  O     -0.15043782     -1.16891388      4.26430039
  H      0.50719376      4.22958160      0.22694578
  H     -3.95285142     -0.86482399      3.99549436
  O      1.52620029     -3.07029152     -2.76222743
  H     -0.64353069      3.21512337      0.42713791
  H     -2.86147241     -0.76349287     -0.23706008
  O     -2.08237018     -1.08283550     -3.66224702
  H     -0.62084753     -0.73536174      4.99088015
  H     -2.48142612     -2.19812591      0.23993655
  O      0.73511204     -0.56590452     -3.41644804
  H     -0.54706455     -0.82063485      3.45053697
  H     -1.46663733     -3.63099897     -1.60368509
  O     -2.81870028      1.94482941      2.93162265
  H      1.32002854     -2.15276295     -3.01695826
  H     -0.36345415     -3.46724005     -2.66583458
  O     -2.15316573      0.50833720     -1.35577240
  H      2.11907594     -3.41307747     -3.42551815
  H     -1.61346546      0.70555203      2.25561094
  O      0.63929283      1.01401158     -1.10499012
  H     -1.89574787     -1.95582116     -3.27267341
  H     -1.82181925     -0.61212830      1.47437003
  O     -3.61902708     -2.27738223      3.04726907
  H     -2.65821845     -1.23098800     -4.40738245
  H      1.50996300     -2.29698185      0.35478316
  O      1.27278292     -4.86362169      2.29191881
  H     -0.20043385     -0.63658421     -3.64234171
  H      1.61212075     -3.19185279     -0.92006461
  O     -1.05991710     -3.59431422      3.13141704
  H      0.78928557      0.07957886     -2.69846248
  H      0.43346902     -0.43502209      1.25666924
  O     -4.11655280     -0.02918113      4.46793690
  H     -3.37474166      1.31027607      3.40274629
  H      1.88238642     -0.44341457      1.77616768
  O     -3.05422084     -1.43900509      0.42707938
  H     -2.29475214      2.40251927      3.60260677
  H     -0.30384673      2.83850167      4.30897961
  O     -1.32041032     -3.44515323     -2.53921166
  H     -2.24857928      0.05756881     -2.20448028
  H     -0.96506739      3.78429056      5.34085616
  O     -1.16052397     -0.08651884      1.94256699
  H     -1.20422489      0.65349034     -1.23610215
  H     -2.56279168      0.19907758      5.56724719
  O      1.47861680     -3.21100644      0.03570424
  H      0.61756416      1.87911497     -0.67806956
  H     -1.45697598      1.25934224      5.71499997
  O      1.34902481     -0.62373451      0.99324722
  H      1.01722286      0.41115643     -0.44906172
  H      2.97337006     -0.22810272      4.14519048
  O     -1.08013244      2.95432024      4.88649449
  H     -3.62127759     -2.02557144      2.11348645
  H      1.46526502     -0.48204026      3.91399441
  O     -1.68797701      0.35127181      5.94764831
  H     -2.85079024     -2.84771624      3.17088298
  H     -0.34330585     -3.42735185      0.13937629
  O      2.24591123     -0.01650908      3.56626231
  H      1.57953801     -5.74936594      2.11248355
  H     -1.35752176     -3.65933218      1.26092106
  O     -1.28891287     -3.54619907      0.30384329
  H      1.46110605     -4.34939104      1.49154432
  H     -2.67048513      2.57651970      1.18294571
  O     -2.33277163      2.82996715      0.31313772
  H     -0.28632846     -4.15033508      2.95928505
  H     -2.47531553      2.07884835     -0.27638165
          69
 Energy    -248.20268306158675     
  O     11.12857542      9.68336646    -11.22421203
  H     10.32431817      9.27698367    -10.91032948
  H     12.49823287     12.19518170     -9.53291701
  O     14.66716792     10.74644106    -12.60690792
  H     11.42267592     10.30007625    -10.52884002
  H     10.50613454     10.85619602    -18.61637241
  O     17.02967300     13.31615519    -13.87374922
  H     14.37371117     10.06211175    -11.99416936
  H     11.67588885     11.69048110    -18.04174702
  O     15.24394883      7.53533198    -12.97953460
  H     15.56135799     11.00797527    -12.34928446
  H     13.72529796     14.50777259    -15.46000412
  O     11.12528310     11.40771248    -13.48689867
  H     16.21567904     13.74939329    -14.15380477
  H     14.66809960     13.29183757    -15.54569310
  O     12.16362260     14.88920111    -16.39732303
  H     17.41074409     12.93116642    -14.67344936
  H     17.84261240     11.01608470    -15.90550229
  O     15.10638805     11.86809319    -16.61564417
  H     14.97745124      7.94024692    -13.81245640
  H     18.64762586     11.99181384    -16.80110187
  O     14.51715015      9.84753162     -8.64017706
  H     16.12459490      7.88684804    -12.79183613
  H     13.35127380     13.57680232    -11.07452299
  O     13.25898028     13.04740290    -12.74884631
  H     11.03027484     10.80064616    -12.74380780
  H     13.28681569     14.64335641     -9.95579146
  O     14.65943361      9.50284178    -15.07363914
  H     11.80479985     12.04673306    -13.22910705
  H     17.70584537      9.18806991    -14.38776741
  O     17.77566063      8.86511317    -12.51970091
  H     11.70986626     15.70336681    -16.59727521
  H     16.51294826      9.33334076    -15.34777157
  O     12.16357871     11.31571111     -9.31762441
  H     11.48492970     14.25565269    -16.10172584
  H     15.10330273     12.78988342     -9.74354823
  O     10.92305588     11.12112093    -17.80135125
  H     16.06954004     11.93762371    -16.63384158
  H     15.47391571     11.39822849     -9.20301576
  O     14.45482190     14.06683285    -15.00558119
  H     14.89519798     11.04525803    -16.15804405
  H     11.64115287     10.08423252    -16.39269514
  O     17.88676487     11.93408324    -16.23008994
  H     14.72528638      9.22320034     -7.94998180
  H     11.69910448     10.26544126    -14.86328259
  O     13.44675052     13.71709119    -10.11677679
  H     14.30939591      9.32822522     -9.43632847
  H     12.77177381     13.61447966    -17.73588620
  O     17.47238879      9.43698144    -15.29001550
  H     13.63019167     13.50975678    -13.51145342
  H     13.79092318     12.45889391    -17.78094055
  O     15.84565969     12.18725699     -9.61681067
  H     13.75407027     12.21551615    -12.67136091
  H     16.87003888     11.79566804    -11.02329576
  O     12.03075402      9.72024814    -15.58898118
  H     14.69262722      9.97313098    -14.22600177
  H     17.24628682     12.18763245    -12.50584376
  O     13.00506187     12.81305229    -18.21979789
  H     13.72454962      9.45344171    -15.32970447
  H     10.38768755     12.33830074    -16.43002065
  O     17.23141115     11.46469300    -11.85983572
  H     17.65402291      9.78832216    -12.23815185
  H     10.46805790     12.46809592    -14.89746826
  O     10.35330527     12.97956124    -15.70854890
  H     18.54202044      8.53703229    -12.05585611
  H     14.17760231      8.09173827    -11.64992912
  O     13.76085275      8.63730376    -10.96577708
  H     12.90789657     10.84581157     -8.92124136
  H     12.83269509      8.78776703    -11.18389068
          69
 Energy    -248.20229978063094     
  O     13.27127409     11.72671744     -8.35251932
  H     12.94391114     11.65647853     -7.45864446
  H      9.81983185     13.21217896    -12.91509904
  O     10.99215380     11.05407766    -14.86896224
  H     12.49486953     11.81467467     -8.92825862
  H     13.24646500     14.51516485    -11.47845835
  O     14.08798607      9.41046739     -9.90065575
  H     10.87348265     11.89280532    -14.40145166
  H     13.24818552     13.12681787    -12.14082228
  O     18.13880569     12.58647752    -13.29402897
  H     11.11942355     11.27651386    -15.80003745
  H     11.34338562     14.19317350    -15.06615210
  O     11.30518510     11.90210984    -10.28223071
  H     13.92684171     10.14806599     -9.30241301
  H     11.76252534     13.64584700    -16.44277877
  O     11.81461264      9.45756687    -11.53048931
  H     13.26647044      9.28378474    -10.39446952
  H     14.06957327     11.17355882    -13.16015450
  O     13.22522443      9.75070976    -13.87990389
  H     19.06929463     12.69255255    -13.10978346
  H     15.17088448     11.91665762    -12.31763289
  O     14.81499483     15.46472863    -11.10086073
  H     17.70630377     12.38218918    -12.44438073
  H     11.42817560     11.89293097    -18.34406481
  O      9.41055559      9.83096277    -12.82778168
  H     11.50554769     11.06536017    -10.72930318
  H     12.62451774     11.81800234    -17.36344555
  O     14.56217126     13.68158968    -15.12213992
  H     11.77710222     12.60972518    -10.74910884
  H     15.58404366      9.14127214    -10.72624633
  O     14.31424095     11.63847355    -17.04634331
  H     12.38633318      9.45810997    -12.31224716
  H     16.91734928      8.36285907    -10.75328582
  O     10.54576997     13.47260068    -13.49340949
  H     10.91115766      9.40937808    -11.87472420
  H     16.87100450      9.62334743    -12.99062276
  O     12.66595199     13.79056568    -11.73493030
  H     13.84169218      9.46816624    -14.56522662
  H     17.44362913     10.81623967    -13.80100536
  O     11.95414919     14.33926561    -15.79936299
  H     12.46716515     10.17457388    -14.31155095
  H     15.54612348      8.48705821    -16.23123617
  O     14.37688522     12.03516174    -12.85052232
  H     15.37322040     15.25657920    -11.87167023
  H     15.94204274      9.49996315    -15.13017090
  O     11.66255945     11.96575046    -17.42343158
  H     14.92574118     16.39680635    -10.93271233
  H     16.31991298     12.34667935    -10.40902825
  O     16.45540325      9.09174872    -11.15929423
  H      9.02349326     10.61975576    -12.43085998
  H     16.67246988     10.91333011    -10.96762931
  O     17.05341955      9.93840720    -13.88416457
  H      9.83265251     10.13180615    -13.64427286
  H      8.14013808     12.62458923    -10.91747044
  O     15.24171639      9.26009855    -15.76356718
  H     14.48756385     13.09243522    -14.35775868
  H      9.62798003     12.20639305    -10.94491758
  O     16.68712664     11.85822104    -11.15998215
  H     13.67552095     14.01484055    -15.32565849
  H     15.72557248     14.62722188    -14.04546660
  O      8.84376726     12.34975754    -11.49999574
  H     14.55411407     12.36341143    -16.45241961
  H     17.01407439     14.19357735    -13.34388924
  O     16.30809795     14.84763719    -13.30426655
  H     14.68660070     10.83440552    -16.66727604
  H     15.17051216     14.10446326     -9.78237297
  O     15.45869008     13.34312952     -9.26310767
  H     11.28473889     13.70404879    -12.91151472
  H     14.67038351     12.90007774     -8.92697030
          69
 Energy    -248.20219494685836     
  O      9.96590852      8.95763844    -14.64647609
  H      9.15823877      8.95385235    -15.15485306
  H     15.78555909      5.80521726     -8.92359579
  O     16.25384804     10.38311979    -12.73744978
  H     10.09568697      8.04597042    -14.34684966
  H     16.42580792      7.49871813    -10.39100842
  O     14.86304076      5.03163639    -13.35893616
  H     16.38001250      9.64422651    -12.12731700
  H     15.26723685      8.19202949    -11.15739464
  O     14.62660572      3.58725345    -10.99680061
  H     15.36951358     10.73172022    -12.56965094
  H     13.81727432      6.44122259    -13.60425799
  O     16.71557385      9.84675058    -15.32418652
  H     14.68265687      4.54241724    -12.54716127
  H     13.58265966      7.74913892    -14.43622608
  O     14.21108402      8.69957233    -15.87248215
  H     15.74179590      5.42147963    -13.26086236
  H     15.25164147      6.15163942    -18.10896066
  O     13.53569986     11.18139557    -12.34050071
  H     14.39600406      4.04262916    -10.17466257
  H     14.65825028      5.63462283    -16.77906944
  O     11.94250738      3.36025629    -11.96536882
  H     15.59193508      3.55903045    -11.02045284
  H     14.36592625      4.46904232    -15.00681528
  O     14.08490610      5.01308156     -8.64323535
  H     16.59682101     10.06541214    -14.38192779
  H     13.01754179      4.15036540    -15.65351647
  O     12.34594098     10.44414997    -14.64937293
  H     17.17832752     10.57959786    -15.72050896
  H     17.45109212      6.47196217    -13.77171804
  O     17.44400186      4.05980787    -11.09828311
  H     15.04770449      9.15422895    -15.70395606
  H     16.99954200      6.89481473    -12.32722601
  O     16.64403090      6.12587822     -9.22818403
  H     14.42294543      7.94480450    -16.43686542
  H     16.64261271      6.76495426    -16.04907416
  O     16.22465560      8.05710074    -11.15578277
  H     13.08754651     10.96375562    -13.17835828
  H     17.22458921      8.03877984    -15.41396112
  O     13.24698256      7.21613536    -13.70463300
  H     13.19688911     12.02614710    -12.05787974
  H     10.58698504      3.45399294    -15.14464104
  O     15.10682291      6.39074956    -17.19739353
  H     11.92951508      3.38896736    -12.92905099
  H     11.03193151      4.78303322    -14.49757041
  O     13.93573517      4.35020284    -15.86654275
  H     12.86200607      3.27938996    -11.68442535
  H     13.41367609      9.50879978    -11.52875760
  O     17.33381775      6.15974233    -12.86223499
  H     13.81549622      4.72975357     -7.77391279
  H     13.34825925      8.10080820    -12.16746387
  O     17.31238073      7.07673418    -15.42998460
  H     13.42763319      5.66694505     -8.94330615
  H     11.57499218      6.70933835    -13.73207815
  O     11.34114361      3.90410254    -14.77086804
  H     11.49198521      9.99047012    -14.64575646
  H     10.44380221      6.14360041    -12.82215868
  O     13.46875515      8.56726058    -11.32642867
  H     12.92682819      9.92076638    -15.21532262
  H      9.55469027      5.01474006    -10.69961398
  O     10.65656034      6.39085159    -13.73151115
  H     18.25084192      3.55400418    -11.15153408
  H     10.89338773      4.60953993    -11.36522916
  O     10.32526181      5.36799657    -11.13667664
  H     17.51451297      4.76501646    -11.76495825
  H     12.65936221      7.46415674    -10.13449222
  O     12.28338538      6.75499705     -9.59428662
  H     17.02769820      5.39361824     -9.72487790
  H     11.56409402      6.36733380    -10.10578347
          69
 Energy    -248.20207664988448     
  O     15.75022833     12.61743121    -15.18696181
  H     15.25797240     13.42841973    -15.08698046
  H     15.15708811      5.03456844    -14.63070006
  O     15.53412023      6.26121250    -13.31970808
  H     15.64066230     12.12160540    -14.35898873
  H     19.66615765      5.67508983    -14.00173530
  O     19.40491101      8.35754104    -12.14648520
  H     16.23412832      6.20903596    -12.65464685
  H     18.59993627      5.22229337    -12.97919387
  O     17.58888555      6.15190544    -17.33796459
  H     15.01283662      7.05764492    -13.15398285
  H     17.41985436     10.35160505    -17.64154537
  O     14.71637579      6.07321366    -17.59282700
  H     18.91967744      9.02298062    -12.66043133
  H     18.52618262     10.51630622    -18.70586892
  O     15.97737887     11.00722218    -10.14683276
  H     20.00830244      7.95653053    -12.78261894
  H     17.34061953      7.31264515    -15.85061617
  O     14.13116889      8.70790242    -13.24683502
  H     17.72162243      5.29173060    -16.91576132
  H     16.57875890      7.19066406    -14.49911689
  O     18.02504328      9.97714239    -13.82060282
  H     16.65905444      6.18856603    -17.59336462
  H     15.66877261      7.48952821     -9.68072173
  O     17.83471372      3.76767236    -15.86238295
  H     14.16569411      5.64233696    -18.24084486
  H     16.09825363      6.58360171     -8.50146223
  O     14.48856840      8.56654170    -10.40618925
  H     14.77240787      5.47174217    -16.82709761
  H     21.67405578      7.11150475    -14.52580234
  O     19.68612402      7.93435425    -16.81293751
  H     15.97951102     11.65759191     -9.44989871
  H     20.36106717      7.50377755    -15.23101640
  O     15.11293151      4.49642739    -15.43390619
  H     16.78028090     10.46765946    -10.02971268
  H     17.31819851      6.32666101    -10.75873945
  O     19.05609816      4.95817929    -13.78774532
  H     14.62682326      9.53365502    -13.14943310
  H     18.29118667      6.95971877    -11.78811177
  O     18.37982496     10.28626652    -17.79137135
  H     13.96264176      8.61872594    -14.19358419
  H     17.62459926      8.49554688     -9.51779910
  O     16.97801514      7.81959719    -15.11541760
  H     17.71460773      9.24035047    -14.36942468
  H     18.67129191      9.03579842    -10.51642260
  O     16.41937314      7.00318029     -9.29480043
  H     18.35248875     10.68113725    -14.39692881
  H     15.65647949     11.35699979    -16.59665326
  O     20.73213202      7.18331609    -14.39060862
  H     18.23219973      2.91542614    -16.01724355
  H     15.15963584      9.93765522    -16.93963558
  O     17.72056157      6.19395012    -11.62582834
  H     18.28433229      4.15100946    -15.08703265
  H     16.53856483     10.64412983    -13.19159944
  O     18.06409728      9.30229439     -9.81486060
  H     14.18430255      8.54594278    -11.32120736
  H     15.73884111     11.16366480    -11.96858101
  O     15.73890049     10.64669947    -17.24517602
  H     14.85731865      9.44857842    -10.26844437
  H     17.68878979     12.39618705    -15.50309775
  O     15.68872186     11.03035577    -12.92282944
  H     19.09510786      7.25970752    -17.17352739
  H     18.62243188     11.53252546    -16.37914933
  O     18.58030433     12.02934692    -15.55114503
  H     19.31327566      8.77790876    -17.09725848
  H     15.34929705      8.34673108    -15.71203312
  O     14.44770494      8.44662162    -16.05766124
  H     15.98974539      4.10638964    -15.53791771
  H     14.33108360      7.69136581    -16.64637601
          69
 Energy    -248.20199073683631     
  O     15.30703356      7.20274370    -17.53787243
  H     15.45904931      7.17311656    -18.48071402
  H     14.54175979      6.27480465    -11.22971489
  O     13.71521161      5.52858985    -12.65316828
  H     14.80384083      8.01330050    -17.36896905
  H     13.52133892      8.70233797    -13.04404933
  O     17.27089019      5.22676625    -10.40647449
  H     12.80839795      5.20165029    -12.66524589
  H     14.70248775      8.24335961    -13.95646435
  O     13.78909257      4.99969884    -16.40133755
  H     13.70219654      6.40002797    -13.08143596
  H     15.91612750     10.12969711    -14.87778738
  O     10.42728173      9.63264937    -13.17016806
  H     17.95339089      5.89171963    -10.56096371
  H     14.75692959     10.60868689    -15.74200108
  O     13.70191815      9.49193330    -17.11794614
  H     16.44520735      5.71612204    -10.29761252
  H     10.48395986      4.11972081    -12.90532632
  O     19.13179307      7.20927684    -11.32822864
  H     14.27647001      5.71469095    -16.82533735
  H     11.03730017      5.19757860    -13.87049679
  O     11.75614598      8.55785054    -15.42226500
  H     14.39366640      4.60903916    -15.75830899
  H     10.69010183      6.47811368    -11.93620260
  O     17.57236450      3.48350200    -12.46972989
  H      9.81481535     10.34435971    -13.00194508
  H     10.42711921      7.99768618    -12.07460960
  O     19.05473931      5.67758975    -13.57261793
  H     11.25639132      9.86449751    -12.71441117
  H     14.92165963      4.70058143    -13.68316215
  O     17.14679490      6.20016370    -15.59447755
  H     13.35806573     10.07153531    -17.79421632
  H     16.23997636      3.89476407    -13.71426320
  O     14.92990245      6.80539758    -10.51822103
  H     12.93938652      9.20784029    -16.58661116
  H     12.13046586      5.41908147    -15.84002029
  O     13.79327576      8.04419927    -13.69709709
  H     19.16408404      6.71827762    -12.16899013
  H     11.30746972      6.70219812    -15.58654462
  O     15.36676880     10.90755389    -15.06218474
  H     20.03319972      7.41121187    -11.09269953
  H     11.85715224      7.76283577    -10.27227013
  O     10.98302022      4.93103381    -12.93357692
  H     11.14053930      8.98387235    -14.81447638
  H     12.18570201      8.25970753     -8.84280877
  O     10.64341341      7.30515831    -11.44001637
  H     12.50448816      8.27964077    -14.86682846
  H     16.81359711      7.71747550    -14.65978076
  O     15.58277978      4.31853313    -14.27960981
  H     17.87123179      2.63809951    -12.14587943
  H     16.68497669      8.53341611    -13.32208939
  O     11.29755397      5.74605200    -15.46704112
  H     17.41744862      4.04493095    -11.68879314
  H     12.80355999      9.45459282    -11.03035644
  O     12.56437080      8.12536517     -9.70762466
  H     18.57382825      5.90413188    -14.37839405
  H     13.62036122     10.46139505    -11.92074864
  O     16.46448231      8.52387988    -14.26379647
  H     18.66652989      4.84927260    -13.26295225
  H     15.28608495     11.14700908    -13.20285207
  O     12.79910877      9.94816241    -11.85897077
  H     16.59767321      5.52671410    -15.16380154
  H     15.85795529     10.39943913    -11.96272356
  O     15.21304180     11.06090077    -12.24095339
  H     16.63624818      6.53467156    -16.34143818
  H     17.63423115      8.30664661    -11.38212277
  O     16.76456189      8.69929812    -11.53259944
  H     14.18760374      7.25020642    -10.09290973
  H     16.11498621      8.08650555    -11.16064951
          69
 Energy    -248.20187735366835     
  O     14.28642627      8.80747236     -9.60640077
  H     14.26842392      7.84726585     -9.54463297
  H     17.78892659      6.83417775    -16.32284007
  O     15.94507545      4.70076867    -15.17344530
  H     13.88541469      9.00524688    -10.46713675
  H     17.42373889     10.95958686    -15.06957712
  O     17.55851385      9.50967019    -13.49125160
  H     16.30226581      5.21521972    -15.90694047
  H     16.76445895     12.15232965    -14.40404507
  O     10.77774349     10.84232271    -14.19985894
  H     16.63309915      4.71064826    -14.49728839
  H     15.78111640      7.11526905    -12.68002941
  O     16.60030925      6.19479359    -11.28524965
  H     16.82366438      8.87687097    -13.48919244
  H     14.71997252      8.22918372    -12.88850247
  O     11.22523108      8.10455948    -13.44208164
  H     17.17317422     10.33073263    -13.15335398
  H     13.52930107      5.92360035    -10.75298795
  O     16.12700005     11.72705118    -12.48632892
  H     11.07976143     10.56760416    -15.08531915
  H     13.79643910      5.32941739     -9.35222338
  O     14.53056116     10.73816366    -16.10710864
  H      9.98555716     11.35764075    -14.32717829
  H     18.68006553      4.40439677    -12.92386291
  O     13.26349323      4.70861752    -14.67551476
  H     15.80799493      6.05631898    -10.75290034
  H     17.55900155      5.37418428    -12.48419067
  O     15.06517200      8.03651313    -16.00671242
  H     17.04977737      6.99799532    -10.97640506
  H     11.90186376      6.55340315    -12.46443578
  O     12.45226790      7.19546952    -15.79285553
  H     11.60525634      7.80182067    -14.28092479
  H     12.81407535      5.42869162    -12.98094584
  O     17.17554674      6.53164686    -17.01724013
  H     10.88478905      8.99272164    -13.60474200
  H     18.48275750      8.10811455    -14.42999743
  O     16.97853040     11.78945656    -15.27232786
  H     15.20329209     11.77750233    -12.76459945
  H     18.56577244      6.56654852    -14.27792036
  O     15.43520497      7.74369785    -13.32322387
  H     16.12669267     11.47191396    -11.55460873
  H     17.39186053      9.27515837    -10.34784786
  O     14.13379765      5.95324481     -9.98985014
  H     15.36383426     11.21557678    -15.99816502
  H     18.01057996      8.88795164    -11.69158473
  O     18.04472156      5.03407921    -13.25525554
  H     14.76017200      9.79697144    -16.11854537
  H     11.92464741      8.97396296    -16.47275821
  O     12.50972105      5.86368219    -12.17428924
  H     14.22270819      4.71474031    -14.83873907
  H     12.73502801     10.28950258    -16.56031565
  O     18.68918942      7.29308594    -14.90272866
  H     12.95752515      3.83394920    -14.90352765
  H     16.31243544     11.17491604     -9.01157081
  O     17.87454893      8.56724991    -10.79197654
  H     15.20851155      7.84487849    -15.06620374
  H     15.51072921     10.02857816     -9.67219047
  O     11.83661274      9.93334696    -16.52305049
  H     15.74997133      7.56803535    -16.49740598
  H     12.54941259     11.50143421    -13.72343778
  O     16.21319615     10.68637670     -9.82469731
  H     12.57333600      6.27992636    -15.51263332
  H     13.86300287     11.27818444    -14.50453757
  O     13.51012340     11.53060571    -13.63748331
  H     13.35184883      7.51737064    -15.95505229
  H     13.49239927     10.05627991    -12.62237606
  O     13.41461020      9.20669245    -12.16977758
  H     17.68093463      6.45601551    -17.82154436
  H     12.63055849      8.77171506    -12.52909654
          69
 Energy    -248.20186685583499     
  O     13.82677180     11.54711269    -15.97009048
  H     13.62933035     10.71447184    -16.42213029
  H     12.85705120      5.87959987    -13.43793374
  O     13.82040902      6.95437162    -12.43392090
  H     14.78406085     11.64729848    -15.97303821
  H     14.14038531      8.71246431    -15.26285989
  O     17.98068054      8.93057360    -12.37564969
  H     14.74820727      6.80696899    -12.20263315
  H     14.30526920      7.98316511    -13.88358070
  O     17.01777444      7.52496663    -15.70564264
  H     13.47783392      7.66549904    -11.87489314
  H     12.78804941     11.91792331    -14.61229036
  O     11.41726898      7.72869508    -15.41124219
  H     18.41560134      9.27183914    -13.17083092
  H     11.59520741     12.76301843    -14.11386331
  O     15.53949022     11.10858117     -9.38639870
  H     18.24481643      9.42537657    -11.58991930
  H     16.56663934      7.13342885    -10.19757945
  O     12.88915945      9.07001492    -10.92196790
  H     16.26226851      7.91959178    -15.23976828
  H     17.16764066      8.36497343     -9.48769301
  O     15.86148333     10.57326504    -13.14060871
  H     17.19909872      6.68924948    -15.25850908
  H     11.62413909      9.25648289    -12.38674602
  O     14.68484548      4.89156618    -15.69497382
  H     11.63871170      6.86632080    -15.04523263
  H     11.50138941     10.34834313    -13.46411069
  O     14.23383180      8.70969133     -8.48322002
  H     11.26562326      8.31445297    -14.65323756
  H     18.12546388     10.47796114    -15.24337678
  O     17.00577283      5.04892708    -14.31169812
  H     14.95293929     11.45877764    -10.06894229
  H     18.21172654      8.94766442    -15.31806151
  O     12.39339081      5.35185549    -14.11150706
  H     15.04920470     10.39233735     -8.96406451
  H     17.06096702      7.41999798    -12.18964640
  O     14.74520645      8.54877754    -14.52924794
  H     13.21055024      9.95337577    -11.15226416
  H     16.74906591      5.99201297    -12.71329765
  O     12.21175230     12.08636920    -13.84594383
  H     13.21166495      8.89465589    -10.02928246
  H     18.64490793     10.51583479     -9.23942647
  O     16.55866958      7.62689938     -9.36716323
  H     15.35798074      9.93023223    -13.66538535
  H     17.17251985     10.54211285     -9.70670512
  O     11.23626026      9.44584181    -13.24840434
  H     16.59692522     10.07501504    -12.76523667
  H     15.53645786      6.76549327    -18.56529903
  O     18.64141742      9.72491881    -14.93429834
  H     14.67856398      5.51642209    -16.42879603
  H     15.91062500      7.17338972    -17.12319615
  O     16.53948549      6.62097439    -12.01269958
  H     13.84563587      4.99587909    -15.22853514
  H     14.63332652     11.29242287    -12.13136605
  O     18.03421522     10.11131165     -9.84985303
  H     14.02407340      8.39824795     -7.60709895
  H     13.23574189     11.92127086    -12.27018129
  O     15.16726496      6.93676935    -17.70195687
  H     15.04232552      8.24358419     -8.76289038
  H     16.41023331     11.51440868    -14.55835885
  O     13.87125117     11.60518252    -11.61689687
  H     17.50920818      4.24717018    -14.42480238
  H     16.93906581     12.76643933    -15.29143463
  O     16.68718497     11.85496071    -15.42636452
  H     16.15936591      4.91883508    -14.77724282
  H     12.53758887      8.51725138    -16.49006472
  O     13.30663273      8.95909251    -16.88907198
  H     11.81700471      4.75266007    -13.64385507
  H     13.84428475      8.28463281    -17.31897799
          69
 Energy    -248.20182519917074     
  O     15.46382216     10.20444031    -15.60903832
  H     15.26334162     11.13787306    -15.59971618
  H     19.82772813      7.00103917    -15.44204362
  O     14.63037764      3.52548061    -16.54723390
  H     16.40639137     10.11688415    -15.36830811
  H     17.90803838      7.42057335    -16.29728070
  O     16.91789969      7.23376698    -11.65115038
  H     14.06009519      2.94352417    -17.04399806
  H     18.71542107      7.12784502    -17.57325424
  O     18.28435960      5.84514425    -18.72648253
  H     14.52860364      4.41466532    -16.93050348
  H     16.08909700      7.18864016    -14.79481275
  O     12.29875745      6.66014330    -11.05768232
  H     17.78016214      7.61114664    -11.85943037
  H     15.85781835      6.44617704    -16.15024989
  O     14.22425446      4.42529216    -13.90701766
  H     16.29710000      7.66183857    -12.26141804
  H     12.97615851      7.80875049    -15.41419676
  O     15.24896194      8.28860502    -13.52083207
  H     17.49488512      6.11904270    -19.20465215
  H     13.87337413      8.89902318    -16.05114289
  O     18.12856995      4.59600357    -14.54518519
  H     18.04371766      5.04027124    -18.24277888
  H     14.23694031      3.64018065    -10.49147891
  O     12.82847430      3.86121300    -11.52295497
  H     13.17537760      6.68951664    -10.63364809
  H     15.07997038      2.95524931     -9.38731756
  O     18.04957038      9.77984228    -14.95158093
  H     11.68540149      7.06273011    -10.44882833
  H     13.99658645      6.82065592    -17.11942027
  O     17.48387410      3.68811787    -17.13303653
  H     14.38833874      4.02036366    -14.76676295
  H     14.93379103      6.35263193    -18.28137524
  O     20.02890102      6.64584314    -14.56900833
  H     15.06455359      4.46107574    -13.42926709
  H     20.00868294      8.79418549    -12.24442183
  O     18.63667129      7.76162405    -16.84287886
  H     14.38389404      7.85613817    -13.56709129
  H     19.58361596      7.77097433    -13.32290321
  O     16.51603279      6.65851480    -15.47653628
  H     15.23370892      9.05256289    -14.10632246
  H     16.71655138      5.45498762    -12.05382074
  O     13.25090014      8.19616470    -16.25800929
  H     17.55718040      5.29140946    -14.90937263
  H     16.15966885      4.12717038    -11.48034990
  O     15.07994643      3.68094520    -10.00503674
  H     17.71840956      4.35407558    -13.70602764
  H     14.93559315      5.59070230     -9.79331537
  O     14.54994122      6.09104536    -17.43470468
  H     12.47203678      4.73887003    -11.33904928
  H     15.55867487      6.87304607    -10.37648490
  O     19.24829544      8.43950856    -12.69825372
  H     13.19841382      3.91420863    -12.41527802
  H     15.60880634      7.28572003    -20.61937191
  O     16.52279412      4.53269646    -12.27651233
  H     18.44901570      9.23381843    -15.64134057
  H     16.04109790      7.88507855    -19.25961568
  O     14.77371707      6.53292465     -9.92868567
  H     18.39537835      9.44010936    -14.11752473
  H     13.33490857      6.00475356    -13.90477480
  O     15.81603845      7.05568840    -19.71761304
  H     16.55128676      3.50383394    -16.97837159
  H     12.56448280      6.87516854    -12.87933542
  O     12.92043959      6.87194634    -13.77732843
  H     17.86178136      3.81615648    -16.25276188
  H     17.36603928      8.80758109    -17.81712669
  O     16.55715487      9.18508110    -18.18866403
  H     19.52763278      5.82058236    -14.50410461
  H     16.08186003      9.56308173    -17.44352220
          69
 Energy    -248.20180666219090     
  O     -8.47016537     -1.69529553      5.19052636
  H     -7.56145151     -1.81378726      5.48723830
  H     -7.22419155      0.09374469      3.02506165
  O    -10.77138825     -2.39627240      3.81992844
  H     -8.77534469     -0.86271654      5.58493608
  H     -5.25944754     -1.78243116      4.99265453
  O     -6.39564503      1.02354373     -0.04282181
  H    -11.43808248     -2.83677407      4.34148481
  H     -5.20995481     -2.27011949      6.46111186
  O     -5.52504823      1.11347354      5.55423422
  H    -10.02277863     -2.24753804      4.41851557
  H     -1.17702813      0.84068966     -0.27413004
  O     -3.69079137      4.91791048      0.53137359
  H     -7.12405568      0.39191474     -0.06599600
  H     -1.83592729      1.86669833      0.68186515
  O     -9.29851156      0.72450053      6.21130874
  H     -6.73803233      1.81009204      0.40754804
  H     -8.08708706      4.57550745      4.19354999
  O     -4.76769060     -1.87138584      3.33727569
  H     -6.09684290      1.62950570      6.13749612
  H     -6.54803866      4.61894807      4.19500670
  O     -4.24131659      2.68807144     -0.94679896
  H     -5.57408916      0.18419388      5.81244812
  H     -9.82963763      5.01355100      2.20487806
  O     -9.92636127      1.76877105      3.70382366
  H     -3.94457581      4.16603251     -0.03320530
  H     -8.68894431      3.96828738      2.19849843
  O     -8.62595614     -0.77773987      0.17742253
  H     -3.50639959      5.64873417     -0.05253894
  H     -7.90179476     -1.54622716      1.75155253
  O     -4.18530116      0.23987860      1.56025341
  H     -9.73936510      1.12037177      5.44678066
  H     -7.98098501     -1.79491515      3.30573916
  O     -7.26301481      1.00466083      3.33989250
  H     -8.68335741      1.39675228      6.52583937
  H    -10.50434197      0.45107632      2.52182315
  O     -5.66727653     -1.67578368      5.87234793
  H     -4.38206495     -1.19238377      2.77062066
  H    -10.75089030     -1.07198743      2.54069902
  O     -2.01931189      1.17376712      0.02181951
  H     -5.66298429     -1.99142039      2.98507786
  H     -7.34244873      3.25943313      7.66417727
  O     -7.31689504      4.51298162      4.77000572
  H     -5.00406130      2.11188140     -0.81577094
  H     -7.36165703      3.41658508      6.12648398
  O     -9.37758552      4.37615388      2.75142685
  H     -3.46420887      2.13630789     -0.78945144
  H     -2.39682315      2.84540780      2.61894537
  O     -7.38578012     -1.70052345      2.55096353
  H     -9.92799048      2.69504861      3.43815328
  H     -2.34991806      3.87238784      1.47205098
  O    -10.58822319     -0.32287821      1.95062104
  H     -9.00444277      1.47127761      3.64314428
  H     -4.02356680      1.47779661      2.88921308
  O     -7.35662667      2.76379666      6.84960471
  H     -9.38503464     -0.55060458      0.74620942
  H     -4.31038763      1.80873338      4.37464191
  O     -1.85366988      3.15167803      1.87969382
  H     -8.97279156     -1.30257418     -0.53965963
  H     -7.26689173      2.32877198      2.20045826
  O     -3.87805889      2.14273761      3.57821433
  H     -3.41467409      0.41173691      1.00483859
  H     -6.52347079      3.64820010      1.90927053
  O     -7.24444525      3.08717475      1.59240238
  H     -4.96716434      0.43518752      1.02676899
  H     -4.73025190      3.67660035      3.16456096
  O     -5.19934026      4.46605998      2.85274238
  H     -6.66839047      1.07204864      4.09637509
  H     -4.69198461      4.80110594      2.10290573
          69
 Energy    -248.20158790512744     
  O     21.71870072     10.77881730    -15.74780138
  H     22.37319017     10.29543235    -16.24415988
  H     20.47021224     17.58668924    -16.39032578
  O     15.86238020     17.81080253    -15.61779042
  H     21.95313003     11.71826929    -15.83836606
  H     13.90276880     10.02797795    -14.08340854
  O     21.55982197     14.87329710    -13.52248716
  H     16.40996141     17.63809606    -16.40465588
  H     15.40337278     10.40740432    -14.13950449
  O     14.88071568     13.29368924    -14.64008873
  H     15.42156150     18.64221988    -15.77435995
  H     20.99977380     16.53340014    -14.29866416
  O     17.59335218     11.58203537    -17.30631010
  H     20.81379683     14.25902225    -13.41603678
  H     19.72802179     17.40471841    -14.27519807
  O     16.90853584     10.54834837    -13.30934283
  H     22.08941378     14.79616223    -12.73219388
  H     16.15779283     13.30792760    -13.28853028
  O     15.55824293      9.71493891    -17.15907046
  H     15.28559350     13.52059333    -15.49160299
  H     16.67572195     14.17357777    -12.12272583
  O     22.21624728     13.46523389    -15.94655359
  H     14.63216594     12.36410740    -14.68535498
  H     18.61361821     11.16639381    -15.85553395
  O     20.31003133     14.85875069    -17.47003484
  H     17.09883045     12.39931156    -17.15724033
  H     20.00709246     10.77014970    -15.27963440
  O     14.56380188     15.97266816    -13.82074681
  H     16.93467780     10.87622033    -17.36720520
  H     16.43906223     15.14588710    -20.23889261
  O     19.39386225     13.18194240    -13.44721527
  H     16.91435734     11.38748179    -12.83343087
  H     17.57802027     14.49118231    -19.42155319
  O     20.32509883     17.66432016    -17.35085255
  H     17.69422670     10.55385438    -13.87436457
  H     17.51053287     16.78614601    -13.06077042
  O     14.56088434     10.45028933    -14.62931266
  H     15.49060578      8.76661746    -17.24477726
  H     17.23070896     17.49669021    -14.40951001
  O     20.60825750     17.33382824    -14.66909363
  H     15.14207401      9.93723078    -16.31287498
  H     18.44971984     17.49038995    -17.64929628
  O     16.78347189     13.31535226    -12.54916169
  H     22.14214953     13.96818883    -15.12786092
  H     17.33994357     16.66148414    -18.35224760
  O     19.08848885     10.95978049    -15.03854746
  H     21.64726543     13.92094421    -16.58103218
  H     15.62700190     16.02851929    -12.45482391
  O     16.86628917     15.15585231    -19.38694723
  H     20.46565485     15.79915288    -17.61500513
  H     15.99084106     16.39519694    -10.99302595
  O     17.93511124     17.13726811    -13.85289381
  H     19.64513169     14.82083452    -16.76617525
  H     18.27774903     15.67113664    -14.95045424
  O     17.49497419     17.37037156    -17.71612037
  H     14.51606769     15.06319073    -14.14505888
  H     18.74762915     14.20655550    -14.79456584
  O     16.34098041     16.00622692    -11.78983454
  H     14.90394241     16.51514221    -14.54282397
  H     19.46576891     13.76955016    -18.69776767
  O     18.40751394     14.84586950    -15.43315412
  H     19.39114474     12.36652894    -13.97045049
  H     18.51429049     12.55007462    -18.67829237
  O     18.81580356     13.28546090    -19.22704050
  H     18.53285963     13.24068928    -13.01054667
  H     16.28096982     14.42681512    -17.75197941
  O     16.25570294     14.01815731    -16.87987375
  H     20.89613687     18.36272549    -17.65876963
  H     17.00683864     14.37709010    -16.37973754
          69
 Energy    -248.20156665406364     
  O     15.79804698      8.65805062    -16.08541475
  H     16.60700930      8.47216320    -15.59062620
  H     14.90712484     12.90334669    -11.68981010
  O     14.41199191     11.51253136    -14.49534069
  H     15.09315139      8.65633011    -15.42652378
  H     18.64697951     15.63104257    -12.65301233
  O     20.42417141     10.30977970    -12.30445209
  H     14.04226883     10.64728328    -14.28886781
  H     19.58844455     16.53049391    -11.82289610
  O     15.44047652      9.49363511    -11.75965814
  H     15.37464477     11.40420362    -14.45416859
  H     19.63361255     11.69960027    -16.66365946
  O     18.04854734      8.55076061    -14.39180636
  H     20.66828042     11.24174120    -12.31369568
  H     20.98091256     12.16851385    -16.06326960
  O     14.24970382     12.55934005    -17.05377518
  H     20.62793725      9.96369415    -13.18329041
  H     18.99194005      9.41921977    -11.75406877
  O     17.47736827     14.85284058    -16.04791264
  H     16.37483345      9.29727628    -11.63330070
  H     18.49480299      8.25184081    -10.87723297
  O     20.70347418     13.15720502    -12.59486317
  H     15.31799302     10.41935041    -11.50420490
  H     14.50020474     14.21141647    -16.59371699
  O     17.86601587     12.20945622    -16.79023165
  H     18.97037642      8.68180938    -14.65179132
  H     14.09568031     15.70213822    -16.67597012
  O     13.94138597      8.82490119    -13.89630847
  H     18.04549086      8.46061100    -13.42989092
  H     19.18933895     15.51621206    -15.67127737
  O     15.99761849     10.52901153    -18.07123893
  H     14.17658488     12.16140635    -16.17347269
  H     19.94188736     15.90370322    -14.37335005
  O     15.35100333     12.23024597    -11.16761877
  H     14.78052130     11.93507626    -17.56001871
  H     17.29759293     14.93161563    -14.24543141
  O     19.58091680     15.82615069    -12.46642479
  H     17.63609824     13.96193592    -16.39268506
  H     16.16665669     14.75627362    -13.20980478
  O     20.52098033     11.40100053    -16.42504783
  H     16.54334428     15.04655249    -16.19864224
  H     21.18750967     14.37239954    -15.31849737
  O     18.23667381      8.82731863    -11.59327017
  H     21.10711682     13.20179197    -13.47181977
  H     22.65698740     13.89408585    -15.38779069
  O     14.66917195     15.09454373    -16.21653440
  H     20.43846765     14.06384590    -12.39527672
  H     21.43283331      8.65529650    -15.25448320
  O     20.06693536     15.69522804    -15.30713002
  H     17.29724186     11.69972481    -17.37910295
  H     20.66309191      9.97604023    -15.49994993
  O     17.10142998     14.98708966    -13.29872657
  H     17.64898663     11.90517118    -15.89376903
  H     17.43834970     10.30010553    -14.34837004
  O     21.77053756     13.60276229    -15.19032720
  H     14.48140692      8.99819241    -13.10237921
  H     17.47689147     11.62994884    -13.52856791
  O     20.72493933      9.19719696    -14.91722154
  H     13.20921272      8.28294317    -13.61667859
  H     14.38949368     13.15745986    -13.75225793
  O     17.17158158     11.22744686    -14.35112842
  H     15.98298194     10.06317484    -18.90302656
  H     14.41705262     14.57721738    -14.31471557
  O     14.50203885     14.08390209    -13.48920448
  H     15.90543683      9.85366019    -17.37557897
  H     17.66149504     13.47774346    -12.51539637
  O     17.96302545     12.64762747    -12.11634426
  H     16.29722969     12.36073383    -11.32466700
  H     18.92416086     12.65664789    -12.18756640
          69
 Energy    -248.20151101976995     
  O     13.22743863     12.42599705    -14.43976167
  H     13.92765060     12.86571393    -14.93666561
  H     14.65939713      6.87919100    -15.27018540
  O     17.55583641      6.73255139    -13.91809560
  H     13.37510611     11.47498743    -14.54228298
  H     17.43987821     10.51620368    -14.45446167
  O     18.91003253     10.89653134    -11.05424343
  H     17.63572680      7.11102177    -14.80215563
  H     18.83627134     11.11225135    -14.66891149
  O     17.22490389     13.80396278    -13.72109998
  H     16.68757930      6.31305909    -13.88452585
  H     16.79241041      9.18678538    -19.72825495
  O     14.83993525      5.74712967    -13.84779208
  H     19.17020714     11.36771514    -11.85429823
  H     15.58792296      9.05040430    -18.76939397
  O     15.09818317      9.71922208     -9.43459616
  H     18.65958440     10.00132343    -11.32259186
  H     16.08918138     11.16481277    -12.63157023
  O     14.07332795      7.02402802    -11.59350293
  H     16.63790663     13.80471598    -14.48573607
  H     16.68792907      9.71141327    -12.60221508
  O     12.86544138     12.61229581    -11.77688156
  H     16.67173840     13.54681431    -12.96989408
  H     17.28521691      8.01203245    -11.06608277
  O     13.95443705      8.47504557    -18.41588114
  H     14.58391194      4.83314490    -13.75832595
  H     17.77758023      7.83451929    -12.53133227
  O     16.19622847      7.29798188     -9.72654874
  H     14.52456423      6.20580909    -13.04862129
  H     12.94201231     10.70651273    -11.51262423
  O     17.40620519      8.22569951    -16.35138285
  H     14.48597617      9.83606712    -10.17276766
  H     13.38965509      9.67101087    -12.54534712
  O     14.70645612      7.58622976    -15.92625269
  H     15.69032420     10.48004398     -9.41518655
  H     16.06233318     12.53594342    -10.82566582
  O     18.16695349     10.56659210    -15.09519952
  H     13.65392848      7.88849579    -11.51673314
  H     14.71509264     12.73654615    -11.60571104
  O     16.51776362      9.32966529    -18.82617026
  H     14.77790408      7.00911407    -10.93312225
  H     18.73269129     12.94720476    -13.55874678
  O     16.24873978     10.37088357    -13.15686645
  H     12.15778049     13.20768877    -11.54734902
  H     20.27965409     12.96689706    -13.53083335
  O     17.73055060      8.46168326    -11.79397730
  H     12.93055041     12.61092011    -12.75080955
  H     17.37627156     12.23927873     -8.63697891
  O     13.22726112      9.78896093    -11.59756556
  H     13.08345630      8.86361305    -18.38788130
  H     17.73152696     11.51455877     -9.95994083
  O     15.67562106     12.70910980    -11.69365597
  H     14.10122165      8.08095219    -17.53990712
  H     16.60518040     10.97642447    -17.82707236
  O     19.52514036     12.39029604    -13.44665013
  H     15.80745020      8.16621845     -9.50831957
  H     17.29482756     11.36217476    -16.50569401
  O     16.99315653     11.84795109     -9.41675843
  H     16.38786335      6.86198473     -8.90133379
  H     15.22899977     14.37521868    -16.48407176
  O     16.71419726     11.70023507    -17.20191663
  H     17.77732289      9.00229899    -15.90626473
  H     15.80227976     12.94203122    -16.42076967
  O     15.35990311     13.63431426    -15.89755121
  H     17.24480468      8.49631635    -17.26319518
  H     14.04153939      8.98727384    -14.91352198
  O     13.89030226      9.72189435    -14.30995767
  H     15.64271055      7.81388330    -16.02309677
  H     14.76077843      9.94877165    -13.94184426
          69
 Energy    -248.20144304337671     
  O      7.42799343     11.32628816     -4.69480331
  H      7.18651334     12.26150668     -4.66496652
  H      2.47165345     12.68653688     -0.77476971
  O      3.32168101      8.76614690      0.73251306
  H      8.01724168     11.16834536     -3.94693711
  H      6.86811382     11.43877326     -0.16017701
  O      3.85634251     13.46358504     -5.59258293
  H      2.88236571      9.53668690      0.33240816
  H      7.96359505     11.81017517     -1.16637715
  O      5.39504670      7.38546915     -3.47823232
  H      2.88758844      8.60237543      1.56553561
  H      5.07360599      9.41189244      0.34470150
  O      6.33951459     13.90314857     -4.49677660
  H      3.67707878     12.61520214     -6.01305274
  H      5.39797514     10.21256385     -0.93167532
  O      4.52026675     11.02860433     -2.30904914
  H      3.19745543     13.57331971     -4.89089213
  H      6.80599210     17.38626877     -5.28304218
  O      0.84710107      9.24082743     -2.64473579
  H      4.59739416      7.46241656     -2.92450662
  H      5.47395381     16.60599361     -5.41325790
  O      3.26811530     10.84681822     -6.41650145
  H      5.42116140      6.48670963     -3.79616529
  H      5.81623853     13.77962944     -2.77747535
  O      1.88437873     13.84367978     -3.67659981
  H      6.52373688     14.83522662     -4.66284634
  H      6.15246995     13.28155463     -1.33362292
  O      1.23026324     11.19635750     -4.45094795
  H      5.48975573     13.71083188     -4.92371189
  H      8.50102662      9.87298046     -2.23156571
  O      2.23063282     16.64078006     -3.83142241
  H      4.85129802     11.93427431     -2.28473178
  H      9.89177417     10.54345632     -2.32394977
  O      2.68718146     13.58197250     -1.06542224
  H      4.70301404     10.66144421     -3.18152467
  H      2.38355942      8.15062234     -2.26121341
  O      7.32214209     12.19420700     -0.55518617
  H      0.96940477      9.92546856     -3.32784591
  H      3.25396284      7.89140930     -1.01753530
  O      5.79571449      9.83627267     -0.13049438
  H     -0.04580658      8.92036775     -2.73836845
  H      3.86126215     15.27731949     -6.14263052
  O      6.29409050     16.68377615     -4.89257577
  H      3.95467874     10.43364410     -5.86288261
  H      3.23200537     16.50194720     -5.46268670
  O      5.45864015     13.67923653     -1.88288377
  H      3.29842066     10.41607072     -7.26632659
  H      6.97490203      8.84142458     -1.13347137
  O      8.95703097     10.71861702     -2.39392150
  H      2.12122213     13.72465742     -2.74417202
  H      6.87875279      8.04780077     -2.44589772
  O      3.16773702      7.67888404     -1.95398661
  H      1.80646638     14.79652519     -3.80470779
  H      3.03119174     10.87219353     -1.35902407
  O      3.89987009     16.24296970     -6.11088922
  H      1.84553930     11.05091380     -5.17932545
  H      1.59123089     10.33069154     -1.31331414
  O      7.50584596      8.48813398     -1.86189969
  H      1.32932788     12.12082039     -4.18872733
  H      5.29832865     16.58221268     -3.24510520
  O      2.25376296     10.78876845     -0.78119141
  H      1.71125473     17.34281984     -3.44894324
  H      4.90331280     15.56591052     -2.15546598
  O      4.64044177     16.39873145     -2.56217461
  H      3.04416325     16.57358662     -3.29919616
  H      5.30354294      8.96298322     -4.42171415
  O      5.17105822      9.85088742     -4.77488094
  H      3.64650077     13.62304667     -1.16418661
  H      6.02704909     10.30962835     -4.80740617
          69
 Energy    -248.20136419519946     
  O     -8.10601874      5.45289544     -9.91148063
  H     -7.37639580      4.84990305    -10.10955645
  H      0.56229626      4.36929122    -11.81510447
  O     -5.13429401      6.37649804    -12.01759730
  H     -8.12299573      6.09505459    -10.63220995
  H     -2.87199016      8.28508182    -11.13422426
  O     -4.77098338      5.15690019     -7.80012085
  H     -6.02100033      6.74294631    -12.12001204
  H     -3.31765492      7.87321116     -9.71597654
  O     -6.33518530      8.75326425     -9.75860621
  H     -4.63344954      7.00955292    -11.48288722
  H      0.95352298      6.59073555     -7.98702792
  O     -1.30851261      7.92660368    -12.19586488
  H     -4.06887473      5.81594001     -7.90178368
  H      1.67140981      5.27511033     -8.34494718
  O     -0.43290626      7.03120799     -6.70725113
  H     -5.58161196      5.65806852     -7.64664058
  H      0.25226514      2.43021701    -10.52635263
  O     -2.87557558      5.92119122    -13.58782230
  H     -5.39241703      8.73363159     -9.96827068
  H     -0.68470458      1.66402191     -9.54891240
  O     -2.66519043      6.88944116     -8.38638226
  H     -6.46845913      8.17585358     -8.99692268
  H     -2.28266759      4.28516619    -10.76787830
  O     -4.07911658      1.96878198    -11.08499035
  H     -0.70366114      7.28803999    -11.78405211
  H     -2.10595754      4.14713867     -9.21840287
  O     -7.68256741      7.56341975    -11.79998389
  H     -0.76162127      8.59175319    -12.60764170
  H     -1.28407720      3.96694941     -6.60241035
  O      0.21405593      5.95233032    -10.98065441
  H     -0.26244604      7.53546674     -5.91636275
  H      0.25739602      4.00429249     -6.64722848
  O      0.54790169      3.45651918    -12.14711973
  H     -0.47804521      6.09362872     -6.44095478
  H     -2.72901940      2.43973382     -8.03713171
  O     -3.63929630      8.24512049    -10.55111069
  H     -3.74792263      6.05644439    -13.19010716
  H     -3.50934880      3.74022211     -7.59404508
  O      1.55320736      6.19129604     -8.62886742
  H     -2.32372181      6.63514728    -13.24970069
  H      1.11852164      2.93001682     -8.45144959
  O      0.18917317      2.06144878     -9.63772610
  H     -2.40638587      6.17701870     -8.99300561
  H      2.37706778      2.91491236     -7.55492392
  O     -2.01700318      4.75182246     -9.96584582
  H     -1.92060609      7.04002638     -7.79155167
  H     -3.07601119      1.28429681     -9.88921142
  O     -0.50983120      4.39052296     -6.20618834
  H     -4.72230367      2.64442487    -10.83179366
  H     -2.63176088      0.07381576     -9.03252915
  O     -2.64464045      3.31059143     -7.62849822
  H     -3.49447768      2.39124026    -11.73035190
  H     -1.30816433      3.37945019    -12.52692696
  O      1.62919381      3.45042571     -7.80641948
  H     -8.22454332      8.16171073    -12.30644118
  H     -2.47396385      4.30956027    -12.98036919
  O     -2.46303349      0.99920466     -9.18660573
  H     -7.26707145      8.08712956    -11.09048569
  H     -7.72531208      6.94466797     -7.09631192
  O     -2.26229777      3.50628952    -12.48001514
  H      0.79965941      6.12905202    -10.22948605
  H     -7.52989256      6.28973344     -8.48478886
  O     -7.07305699      6.76810534     -7.76931100
  H     -0.57034395      5.52067027    -10.60572943
  H     -5.38453378      4.89639177    -10.96433912
  O     -5.59842886      4.19440334    -10.33294369
  H      1.28587771      3.36819196    -12.74518528
  H     -5.26542378      4.48349079     -9.47300292
          69
 Energy    -248.20135429625728     
  O     -3.96237323     -2.93317533      0.45180132
  H     -4.46969101     -2.97532301     -0.35430414
  H     -0.58482849     -6.29339623      1.98345054
  O     -1.29535142      2.46547425      5.26519519
  H     -3.02306136     -2.93667055      0.19537050
  H      2.27883383     -2.89005268      5.37002269
  O     -1.78493819      0.61748167      2.01486829
  H     -0.62403446      1.86361740      4.91800951
  H      2.61481989     -2.32309352      3.97220540
  O      0.95668107     -2.78796455      6.72097355
  H     -1.82424465      1.93885385      5.87717497
  H     -0.70163811     -3.23381216      1.69481914
  O     -3.02522576      0.61448361      6.64864620
  H     -2.18992690      1.46339363      2.24214978
  H      0.06136732     -4.15260267      2.70918707
  O     -1.24600769     -1.38151641      5.87378662
  H     -2.43622126     -0.06955592      2.21443274
  H      3.27959277     -4.43362022      3.81006933
  O     -0.46240980     -5.06681858      5.69719096
  H      1.16564276     -2.61597479      7.63635904
  H      4.19716321     -5.64018727      3.48760796
  O     -4.47760482      0.80590376      4.37396262
  H      0.19867039     -2.22367475      6.49663446
  H     -3.90959709     -1.80429199      1.90696224
  O      0.06249170     -0.54143423      0.26666296
  H     -3.57072489      0.75431389      7.41793205
  H     -3.30251395     -1.98732249      3.31335403
  O      0.62927888     -5.81514472      3.28399357
  H     -3.61312900      0.66313431      5.87282722
  H      2.94536464     -4.30782972      1.62746069
  O     -3.45073759     -5.00939563      2.41472882
  H     -1.75850546     -2.05779177      5.40958883
  H      2.48865725     -2.87458619      1.31426688
  O     -1.20701981     -6.22764052      1.24445088
  H     -1.86802560     -0.73290069      6.22854549
  H     -0.29093390     -0.30876830      4.66752701
  O      2.90299842     -2.95966872      4.63787847
  H     -1.26639319     -4.63018533      5.39530667
  H     -0.52015124      0.41999309      3.32078070
  O     -0.28754096     -3.26124818      2.56664998
  H      0.06406795     -4.38175740      6.12730479
  H      1.01376966     -2.08771716      2.56163509
  O      3.38150649     -5.21571224      3.23714822
  H     -4.35971299      0.05158417      3.78140651
  H      1.37540900     -0.67923322      3.06334436
  O     -3.66886982     -1.32750061      2.71238621
  H     -4.13202886      1.57433082      3.90279326
  H      0.99501589     -5.20648486     -1.41371924
  O      2.58506400     -3.75003075      0.92571684
  H      0.78846282     -0.71129405      0.87584771
  H      1.32350753     -4.47572560     -0.09437558
  O      0.11632698      0.30622968      4.04284445
  H     -0.58218121     -0.02245828      0.76946842
  H     -2.35174746      2.87418910      3.91020781
  O      1.71806336     -1.41634098      2.53954285
  H      1.59120499     -5.75511905      3.29874100
  H     -3.07972280      3.82866819      2.93123978
  O      0.59736240     -4.84699436     -0.62488234
  H      0.30651391     -5.68783109      4.18866969
  H     -1.58692548     -3.23575810      3.74139442
  O     -2.95941347      2.90877925      3.14973517
  H     -3.78866107     -4.42873528      1.72447379
  H     -2.90918148     -4.01121529      3.78763624
  O     -2.39273868     -3.34857889      4.27379732
  H     -2.73008032     -5.51059834      2.00388287
  H     -0.68932651     -3.56228095     -0.41457173
  O     -1.29000147     -2.88958726     -0.06902456
  H     -0.67919763     -5.88785263      0.51478469
  H     -0.82256132     -2.03977754     -0.07834366
          69
 Energy    -248.20129029691728     
  O     -8.14488060     -2.43815836      5.46045300
  H     -8.72018732     -1.68247797      5.30047860
  H     -6.87958384      0.36403747      4.11078778
  O    -10.34739413     -2.30164995      2.38660294
  H     -7.30183115     -2.09646918      5.78242863
  H     -5.01922595     -1.52760445      5.38941518
  O     -8.21192077     -4.01925979      3.26674482
  H     -9.70432054     -2.98352963      2.61257607
  H     -4.99211911     -1.92250318      6.88726666
  O     -5.55355027      1.05476663      0.11909321
  H    -10.33602470     -1.67704350      3.12446762
  H     -0.84365369      2.64040175      1.58007131
  O     -6.51857914      1.06508766      5.79268220
  H     -8.18914838     -3.53262871      4.11107437
  H     -2.07141149      3.32746677      2.22857828
  O     -4.82998210      5.49489074      1.39390438
  H     -8.28966058     -4.94459952      3.48242900
  H     -9.78239767      4.84787640      4.15542065
  O     -4.28024013     -1.48495384      3.82658889
  H     -5.92862132      0.21901897     -0.18035731
  H     -8.47726930      4.18721792      3.66602805
  O     -3.96927548      3.39553031     -0.10573009
  H     -6.30591835      1.54329953      0.48786882
  H    -10.32059033      1.10169024      2.88368646
  O     -9.75646070     -0.26298945      4.25093307
  H     -5.83618496      1.66277141      5.45532137
  H    -10.17785347      2.62211186      2.78502840
  O     -7.11432656     -1.27210417     -0.36654297
  H     -6.09307524      0.25872735      6.11062050
  H     -6.93985969     -2.98174515      2.42487971
  O     -3.87946356      0.91404514      2.39608490
  H     -4.56602711      4.77031988      0.79835519
  H     -6.54792962     -2.05831230      1.22805856
  O     -7.21371151      0.09742022      3.24473130
  H     -4.79563525      6.29781355      0.88072576
  H     -9.91827795     -1.20497224      1.03635255
  O     -5.52728711     -1.50030440      6.22079997
  H     -4.02432999     -0.66297530      3.38843219
  H     -9.97807275      0.30629263      0.75655342
  O     -1.79638018      2.63418658      1.60196528
  H     -4.84867700     -1.94583166      3.19383745
  H     -9.27669981      2.64046517      5.32567844
  O     -9.38866230      4.00398372      3.94463743
  H     -3.14489742      3.12196907      0.31586710
  H     -8.28043990      1.65322040      5.97455402
  O    -10.31863364      1.82976444      2.25004901
  H     -4.49576391      2.59183170     -0.20323651
  H     -3.47123469      3.94747477      3.84091813
  O     -6.30045437     -2.32311310      2.12290412
  H     -8.90451365     -0.19992631      3.78999762
  H     -3.49360060      4.98368633      2.70596167
  O     -9.59533466     -0.51330949      0.43685541
  H     -9.74151615      0.43363677      4.92489044
  H     -4.56146881      2.07109938      3.65719877
  O     -9.22287123      1.85341953      5.87983572
  H     -7.99826884     -0.95483859     -0.10590577
  H     -5.55417037      3.24794781      3.91448415
  O     -2.89747909      4.47897104      3.27334148
  H     -7.22691417     -1.73862770     -1.19086434
  H     -8.61689447      2.12029977      1.51667895
  O     -4.86343560      2.70716958      4.32273068
  H     -4.45247963      0.88503790      1.61802867
  H     -7.42034891      1.37779237      2.10592579
  O     -7.65340654      2.10454466      1.50267880
  H     -3.07316052      1.37407259      2.13018824
  H     -7.07005531      3.51583105      2.35923335
  O     -6.79781367      4.23933924      2.94731191
  H     -6.80582025     -0.73498369      2.97852249
  H     -6.19391438      4.79546796      2.43950747
          69
 Energy    -248.20124972011865     
  O     16.31370985     10.73235446    -14.86896216
  H     16.86977923     10.06247358    -15.28951803
  H     13.51325250     10.49866919     -8.22632791
  O     15.12913049      6.08169897    -10.20800261
  H     15.40464259     10.54578288    -15.14164913
  H     16.09792057      6.09907932    -15.87073696
  O     17.31572548     13.18163508    -14.26272198
  H     15.22869131      5.26199915     -9.73159135
  H     16.52358125      6.35920671    -14.40939196
  O     12.83613187      7.78925640    -10.37337243
  H     15.53590648      6.77896219     -9.66144106
  H     15.88895815      7.89755354    -12.60373611
  O     13.86838060      9.85761432    -15.75245341
  H     17.16656429     13.80757589    -14.96629472
  H     15.63800626      6.52297776    -11.92336325
  O     17.73279476      8.70703999    -16.11112130
  H     16.91466844     12.33989992    -14.54239595
  H     19.30850818     12.17545959     -9.71569536
  O     19.89885914      9.23089771    -14.41901965
  H     13.52949506      7.12094548    -10.32604844
  H     18.56593817     11.00569201    -10.40394141
  O     11.54021460      8.37091136    -12.65667893
  H     13.13139060      8.52281162     -9.81989857
  H     16.36526450      8.83146237    -17.33866713
  O     16.36947376     13.06426275    -11.56787221
  H     14.27501943      9.61992086    -16.59508812
  H     15.77200346      9.01768160    -18.75044394
  O     12.62675971     10.92305405    -13.37362686
  H     13.74604342      9.02278491    -15.27448207
  H     16.14919441     10.05773350    -13.18629595
  O     14.17982875     11.46163593    -11.17681796
  H     18.56722040      8.89167539    -15.66307186
  H     15.26081230     10.19250381    -11.92248862
  O     13.91464367      9.98756909     -8.92426248
  H     17.46817685      7.81190646    -15.83973655
  H     18.85415166     12.25472475    -13.65206744
  O     16.86668106      6.26817916    -15.30705978
  H     19.76766198     10.09689867    -13.99412357
  H     19.36953760     11.76063140    -12.29370108
  O     15.87173607      6.94044745    -12.76186090
  H     20.83347491      9.15230555    -14.59495016
  H     17.24873668      9.54746607    -11.13878365
  O     18.79987407     11.94628418    -10.48906747
  H     11.96903352      8.15498920    -11.80882931
  H     18.49533369      8.66900022    -11.01344835
  O     15.53371688      8.86782736    -17.83864092
  H     10.62289060      8.12452391    -12.57433118
  H     14.28296913      7.21784606    -13.80571371
  O     15.93403985      9.64260206    -12.34155207
  H     16.64083475     13.23363985    -12.47813291
  H     12.79694626      7.67032750    -13.80968555
  O     19.48133913     11.64490016    -13.24484793
  H     17.16636403     12.76296675    -11.11499350
  H     18.06438246      7.10214888    -12.61075696
  O     17.99475090      9.35462196    -10.54940479
  H     12.95877603     10.75449732    -14.26257970
  H     19.22880700      7.98992783    -13.09431195
  O     13.54428021      7.45077375    -14.38088033
  H     12.16465747     10.11447071    -13.11591646
  H     16.85537370      8.59102625     -9.29002111
  O     18.90163476      7.48692095    -12.33754209
  H     13.59636990     11.42582474    -11.94937940
  H     15.42419128      8.84779486     -8.75761716
  O     16.11760812      8.17889352     -8.82136971
  H     14.87139416     12.12682365    -11.31483832
  H     14.75187040      7.12414102    -17.29148430
  O     14.51118064      6.32227019    -16.81311964
  H     13.98809967     10.57629964     -9.69597880
  H     14.01323706      6.62003396    -16.03949718
          69
 Ord_Energy   -248.201004    
 O   -4.77871895      -2.83991551       6.67536354    
 H   -5.40003586      -3.46093321       7.07744408    
 H   -3.92801142      -3.29703760       6.66688395    
 O   -3.16494989      -6.49635983       4.59175062    
 H   -2.87978673      -5.79389477       5.18758297    
 H   -3.88905096      -6.13079119       4.06295681    
 O   -8.90669537      -7.41857433       2.99703836    
 H   -8.23312283      -7.53309584       3.68995953    
 H   -9.20559311      -8.29200363       2.75674725    
 O   -5.77880764      -2.94873953       4.04991055    
 H   -5.57084799      -3.85870767       3.78850603    
 H   -5.33938026      -2.78277063       4.89369154    
 O   -8.51765251      -6.83683205       7.27797270    
 H   -9.38036251      -6.40864086       7.21867990    
 H   -7.92766142      -6.18225861       7.67008066    
 O   -10.1353188      -2.97238755       8.21527672    
 H   -9.91018581      -2.34182954       7.51813793    
 H   -10.4485388      -3.77119923       7.77431297    
 O   -8.89743996      -1.42750931       6.18938494    
 H   -8.62621784      -2.31704879       5.91499424    
 H   -8.15703678      -1.08014584       6.70747089    
 O   -7.97783947      -3.91168523       5.43796635    
 H   -8.64850807      -4.40397787       4.95029259    
 H   -7.29348326      -3.61099792       4.82483530    
 O   -10.1317339      -5.22843838       4.25186539    
 H   -10.3369160      -4.51975584       3.62131310    
 H   -9.81053734      -5.99406481       3.76147199    
 O   -4.42312431      -6.28574991       7.91752291    
 H   -5.26438046      -5.81109905       7.92977142    
 H   -4.55445623      -7.06678629       7.36650085    
 O   -10.4585600      -3.16142344       2.54418087    
 H   -10.2728977      -2.29011083       2.91522121    
 H   -9.86587620      -3.25868201       1.78768218    
 O   -7.07170820      -7.47473764       5.02829170    
 H   -6.26741838      -7.91445780       5.33071852    
 H   -7.60838127      -7.28632879       5.81282759    
 O   -2.61093736      -4.63637352       6.73692989    
 H   -1.77652609      -4.60998583       7.19818735    
 H   -3.18949604      -5.24352169       7.23408842    
 O   -6.73420954      -4.66250134       7.76345778    
 H   -7.22112751      -4.44381428       6.95174408    
 H   -7.07452250      -4.10676575       8.47813225    
 O   -5.56239557      -5.61884260       3.47053075    
 H   -6.08433771      -6.15349102       4.08200788    
 H   -6.01866531      -5.66245461       2.61625981    
 O   -10.9452267      -5.36635017       6.85476017    
 H   -11.8368340      -5.69935703       6.92481375    
 H   -10.7427330      -5.30971384       5.90508413    
 O   -8.44024372      -3.33610201      0.550873578    
 H   -8.43804359      -3.01816583     -0.348108321    
 H   -7.96748877      -2.67115784       1.08461392    
 O   -4.58060455      -8.37139988       5.94474936    
 H   -4.14060402      -9.21590900       5.98915529    
 H   -4.00329685      -7.77743196       5.43073845    
 O   -9.61080551     -0.660171926       3.67179489    
 H   -9.39649487     -0.845514536       4.60154629    
 H   -10.0244656      0.199116513       3.65295577    
 O   -6.68848324     -0.978902638       7.77938557    
 H   -6.97684813      -1.52445185       8.52160549    
 H   -5.91275644      -1.41984034       7.41157579    
 O   -7.30105352      -1.52681983       2.19720125    
 H   -8.01026249      -1.12533379       2.71325874    
 H   -6.68896103      -1.92845571       2.82969069    
 O   -7.82632494      -2.91900253       9.61687660    
 H   -7.96132469      -2.86869121       10.5589666    
 H   -8.70854855      -2.93457770       9.20240498    
 O   -7.22425652      -5.77821398       1.32253218    
 H   -7.89844990      -6.32905006       1.73732805    
 H   -7.66623163      -4.97480726       1.01981199    
          69
 Energy    -248.20099903602608     
  O     12.11601655     10.72875414    -15.60375244
  H     11.58513960     11.11565464    -16.29659972
  H     19.25019520      8.29106753    -14.93209604
  O     16.12478784      6.93224075    -12.80706779
  H     12.57112215      9.96275193    -15.99620334
  H     15.44618243      8.31103087    -13.78096861
  O     17.43964160     11.01909211    -11.59110464
  H     15.42115553      6.96556722    -12.14584336
  H     14.49558904      8.80555091    -14.91472859
  O     16.60792996     10.73284959    -15.79939379
  H     16.90483669      7.36655788    -12.43493071
  H     10.31683871      9.66411073    -13.15268638
  O     13.27347851      5.93606835    -15.72619621
  H     16.54796401     11.19878615    -11.92240123
  H     11.55656024     10.00991297    -14.00267014
  O     14.51683544      9.90296343     -8.60306857
  H     17.39105321     11.08372681    -10.62944739
  H     17.59309573      9.03711142     -8.94737003
  O     13.99592326      7.25992725    -11.05666706
  H     17.38302293     11.03044698    -15.29945144
  H     17.99296503      8.05179388    -10.05992949
  O     14.88687048     11.30312859    -12.61604990
  H     16.08056861     10.18971870    -15.19347853
  H     11.95037290      7.72892604    -13.33454262
  O     15.20718732      7.10971343     -8.54565186
  H     12.80711498      5.14115007    -15.96985630
  H     12.90502775      6.83147288    -12.52999072
  O     17.97100897      8.08040087    -16.14231415
  H     12.94437481      6.19822206    -14.84712137
  H     18.38853283     11.28315199    -13.22437508
  O     16.14954436      6.13245474    -15.44990565
  H     13.91030799      9.98963747     -9.34950338
  H     19.25263946     10.39339839    -14.14015742
  O     19.85850446      8.53385365    -14.21279262
  H     14.63513520      8.95514645     -8.46351885
  H     18.92018206      8.35263819    -12.61216250
  O     15.06605759      9.09627292    -14.19435686
  H     14.34394487      7.07317489    -10.17571606
  H     17.98490469      9.29533013    -11.80861334
  O     11.26179332      9.53662107    -13.20956940
  H     13.72550057      8.18902351    -11.05240264
  H     16.11787324     10.61230408     -8.71618192
  O     17.65576121      8.09647990     -9.15572238
  H     14.91740298     10.45819113    -13.09470981
  H     17.23407046     11.48115460     -8.08926245
  O     12.38433272      6.86825688    -13.34277584
  H     14.70557156     11.96248768    -13.29803572
  H     16.06069409      9.90949142    -17.39576351
  O     18.72147177     11.19839046    -14.12746231
  H     15.26408428      6.48252652     -7.83026246
  H     16.49687913      8.53803044    -17.91040989
  O     18.28718751      8.37794313    -11.88427109
  H     16.11893779      7.38348730     -8.75435141
  H     13.73218236     10.52523772    -11.49970977
  O     17.05002314     10.87986342     -8.80595800
  H     17.49775499      8.91510982    -16.05894695
  H     12.37194698      9.83083840    -11.67776382
  O     15.77430931      9.16914461    -17.95188959
  H     17.33840254      7.37062088    -15.94587705
  H     13.63573121     11.95673146    -15.27037500
  O     13.10427209      9.93219248    -11.05937677
  H     15.21993833      5.96872994    -15.63868219
  H     15.15938150     12.09544756    -15.46967682
  O     14.39505874     12.50940479    -15.05050159
  H     16.20076398      6.22960807    -14.48716308
  H     14.24930081      8.72056424    -17.11381747
  O     13.50589615      8.58702773    -16.50697232
  H     20.72867504      8.25238373    -14.48273467
  H     13.36920494      7.63852901    -16.38949416
          69
 Energy    -248.20087359602516     
  O     16.09996981      9.70511965    -12.01930348
  H     15.97274342     10.49931622    -11.48687784
  H     12.59090333      9.24403040     -6.12618049
  O     15.28989241      5.01272865     -7.17505747
  H     17.04608199      9.50815777    -12.07501229
  H     19.10865091      3.95015006    -13.41338466
  O     15.59469361     11.72281955    -10.10238721
  H     15.62420067      5.15033951     -8.07875978
  H     17.69877167      4.58026261    -13.31398066
  O     12.72661139      6.11531745     -7.73545017
  H     15.61172876      4.16292534     -6.88699662
  H     15.45735270      5.41461997    -10.41518812
  O     14.37203816      7.87483611    -13.07790275
  H     16.40643479     11.48926840     -9.61472058
  H     15.98246685      6.59653310     -9.56875257
  O     18.68018757      8.75236997    -12.05586015
  H     15.58062103     12.67314436    -10.17593056
  H     18.51153250      7.90902469    -13.72930233
  O     20.26647499     10.12499576    -10.18819011
  H     13.54026512      5.65698488     -7.49220988
  H     18.57360572      6.41194963    -14.07667167
  O     18.56600623      6.25110427    -10.76939520
  H     12.78945544      6.99641771     -7.34716495
  H     18.41534892      9.14287188     -6.08683389
  O     11.86222797      5.85957256    -10.28269633
  H     14.73662934      7.59025529    -13.92417507
  H     17.19308020      8.44402141     -6.70756910
  O     12.43891119      8.55404007    -11.11154812
  H     14.97510716      8.55289985    -12.73624283
  H     15.73021734      7.04158812    -16.25772216
  O     13.58592114      9.96698557     -9.06883683
  H     19.28603521      9.30041494    -11.54330008
  H     16.69665003      7.10432669    -15.05133589
  O     13.15938763      8.73332524     -6.69658121
  H     18.60347804      7.90958612    -11.58398586
  H     16.01504468      8.69670735    -10.41106267
  O     18.64411150      4.73426985    -13.13408219
  H     21.17163872     10.42163613    -10.16101796
  H     15.03160039      8.73231654     -9.24594765
  O     16.06880557      5.63491902     -9.70078481
  H     20.22248682      9.30135456     -9.66663572
  H     18.69577837     10.83654778     -9.34258463
  O     18.32585184      7.27430342    -14.43322321
  H     18.70419475      5.67529240    -11.53176345
  H     17.81216169     10.27619606     -8.21546645
  O     18.02462217      8.89841633     -6.92279025
  H     17.72848016      5.97848153    -10.36988418
  H     14.87835544      8.05293861     -6.25963539
  O     15.78309742      6.89486716    -15.31733759
  H     11.00171443      5.44928155    -10.27213984
  H     15.62895398      6.71485224     -6.40951017
  O     15.81696153      8.27611247     -9.56639265
  H     12.15020987      5.93085002     -9.35509814
  H     13.37558218      5.43123131    -11.29045360
  O     17.87318813     10.98987499     -8.86372557
  H     12.99769476      8.40115920    -11.88439118
  H     14.30064658      6.28639002    -12.18399217
  O     15.74104059      7.63637807     -6.14635402
  H     12.14370113      7.67933955    -10.83133544
  H     19.19187093      8.06792037     -8.16053113
  O     14.21873874      5.41865336    -11.75922823
  H     14.17457506     10.64747075     -9.41526966
  H     19.47197847      7.18111721     -9.40577620
  O     19.86459745      7.83666459     -8.81462634
  H     13.13118592      9.54524833     -9.81652917
  H     15.34446029      4.65290108    -13.03229845
  O     16.00613129      4.52014191    -13.72414524
  H     13.26934590      9.24687202     -7.51586906
  H     15.85104077      5.22135083    -14.36955924
          69
 Energy    -248.20086848768631     
  O     13.18188925     10.53470443    -16.31032105
  H     12.42137599     10.24958810    -15.77620865
  H     18.13757101      9.37099883    -12.33802386
  O     15.52789498      7.80570017    -13.31602526
  H     13.30082250     11.47623185    -16.13014378
  H     16.78678467     10.74236340    -16.95375981
  O     15.93174443     11.52376617    -10.94181192
  H     15.41981172      8.67029491    -13.74456180
  H     18.00448347     10.36661568    -16.07775403
  O     16.62161771     13.30572603    -14.83438743
  H     16.03067872      7.98974267    -12.51210644
  H     14.55474593     10.22661991    -15.12867632
  O     13.42580798      7.50609469    -16.46137275
  H     15.15302433     11.71481796    -11.48264020
  H     16.06164849     10.54603633    -14.96358475
  O     12.05497320      9.94458898     -9.14937139
  H     16.67442469     11.95346002    -11.38426111
  H     11.32534051      9.85877729    -13.72236512
  O     12.96709600      7.34108119    -12.39518857
  H     16.97267813     12.64156051    -15.44755923
  H     11.12752805      8.67864464    -14.68777508
  O     13.85228540     11.80150515    -12.76668038
  H     15.67562180     13.34899528    -15.00411883
  H     15.95787599      7.22751368     -8.04863115
  O     16.22772820      7.50496176    -16.02025760
  H     13.32088659      8.44488749    -16.64242970
  H     14.81781819      7.56883988     -9.03862120
  O     13.18790746      7.32884271     -9.60248607
  H     14.37697637      7.35082138    -16.39737959
  H     10.93886469      6.07908885    -15.06088977
  O     18.77648778      8.74253078    -15.53247874
  H     11.49919670     10.25649660     -8.44048384
  H     12.18978196      6.93693259    -15.37071940
  O     18.62545280      9.80470487    -13.04983988
  H     12.96446820     10.22128033     -8.93652459
  H     17.46693919     12.88594810    -13.36041933
  O     17.37551208     11.07506092    -16.25950363
  H     12.41631360      7.02566128    -13.12170360
  H     18.62073359     13.23429774    -12.39387306
  O     15.27762481     10.25049085    -14.48673152
  H     13.86989694      7.42219428    -12.73552007
  H     16.48052241      9.75240164    -11.04964075
  O     11.21135014      9.63943662    -14.65598339
  H     13.14850823     11.21748045    -12.45100114
  H     16.57022596      8.41918987    -10.27195942
  O     15.70636587      7.83433378     -8.73922468
  H     14.44126843     11.25231283    -13.31101043
  H     15.10100400      9.66137933     -8.53831501
  O     11.48846384      6.77638487    -14.71388399
  H     15.99129204      7.41464501    -15.08530036
  H     15.14448902     10.98256818     -9.33366361
  O     17.95886953     12.57323911    -12.58101299
  H     17.14038004      7.81857057    -15.99970586
  H     14.67036771     10.07407427    -17.52969355
  O     16.83099664      8.85106093    -11.09440245
  H     13.07767031      7.19075429    -10.55324402
  H     15.70825032      8.94966041    -17.31405612
  O     14.66170251     10.51478668     -8.63942337
  H     12.67527675      8.11747175     -9.38809076
  H     11.89018785     10.00877911    -10.99575967
  O     15.53910244      9.76226275    -17.80904273
  H     19.66503680      8.43958405    -15.69954789
  H     12.36491455      9.03948647    -12.10308580
  O     12.00446662      9.92569722    -11.95049267
  H     18.75766798      9.06136677    -14.61143352
  H     13.63910232     12.79123590    -14.27064601
  O     13.68427711     13.13767048    -15.17806983
  H     18.48251417     10.75091380    -12.93007083
  H     13.14742911     13.92678073    -15.19616677
          69
 Energy    -248.20086440527348     
  O     16.36849967     10.61690931    -16.64669666
  H     16.73786532      9.83162110    -16.20882244
  H     18.24243218      5.82690883    -16.63900636
  O     15.68371838      5.45053325    -14.74914309
  H     16.66577081     11.35083880    -16.09579597
  H     18.00436925      6.03761396    -12.76358852
  O     16.08519473     13.64945642    -13.16285630
  H     16.06661074      5.67590716    -13.89259358
  H     17.19877899      5.25183951    -11.70544510
  O     19.83631501      8.93663195    -13.89088439
  H     14.91258275      6.01564082    -14.87975303
  H     20.99561869     10.79273359    -16.07237917
  O     16.68158674      7.45583222    -19.07149444
  H     15.36789139     13.00273157    -13.14054769
  H     22.47283035     10.56628065    -15.66310063
  O     15.36751838     10.98782220    -10.45022545
  H     16.55869243     13.53168897    -12.32997184
  H     17.38297250      7.69934325    -15.72830436
  O     14.99291497      9.07504444    -13.89201257
  H     20.50714566      9.36763000    -14.43393266
  H     18.24619859      8.63038784    -14.82415438
  O     17.73810570     12.21347299    -14.82630851
  H     19.44624459      9.60369934    -13.30862737
  H     15.84093658      8.78088682    -12.33623144
  O     19.50989922      6.20865974    -13.60158986
  H     16.63844427      6.85084819    -19.80743126
  H     16.77198228      7.73760659    -11.70917947
  O     13.55795340      7.27394255    -15.43298610
  H     16.92193929      6.92934448    -18.28830794
  H     15.17725084      8.23490554    -18.16432638
  O     20.04293782      5.64448878    -16.35579109
  H     15.71541258     10.10353766    -10.62593762
  H     15.01339227      9.46867017    -17.26368906
  O     17.34111579      6.14137306    -16.78317995
  H     14.81968069     11.20866317    -11.21483860
  H     17.69505081     13.17967435     -9.95541359
  O     17.14515055      5.99114952    -12.30638814
  H     15.84586215      8.91439829    -14.32316477
  H     16.67492580     12.16629431    -10.52881175
  O     21.61591140     10.15040510    -15.68030792
  H     14.36567901      8.47320594    -14.31096850
  H     17.68839412      9.96509084    -12.14818663
  O     17.36994913      8.51283649    -15.21044169
  H     17.96229949     11.59689014    -14.11812507
  H     18.14419236     11.41917695    -11.87367867
  O     16.47994264      8.65247628    -11.61923816
  H     17.19108821     12.88714750    -14.39896779
  H     14.43067640     10.71233550    -13.39257499
  O     14.57617625      8.64973036    -17.53427938
  H     19.73599820      7.15034695    -13.60145403
  H     13.22709414     11.66814943    -13.24847297
  O     17.41824523     12.75166537    -10.76081866
  H     19.73290928      5.89172470    -14.48379591
  H     19.68446407      8.67314515    -17.69508880
  O     18.27648116     10.66640401    -12.46230995
  H     13.88457379      7.73465570    -16.22784724
  H     20.93118335      8.77003617    -16.79422864
  O     14.13485025     11.54106224    -12.98230520
  H     12.65941017      7.01325726    -15.61508557
  H     19.28814297     11.18501026    -17.46993036
  O     20.38866120      8.14855060    -17.29374739
  H     20.21722331      6.53787191    -16.70677961
  H     19.04452925     11.98325147    -16.15867283
  O     19.72559043     11.70583101    -16.78720526
  H     20.69569131      5.06489045    -16.73827903
  H     17.60076661     10.15991131    -17.89934438
  O     18.29021090      9.73045696    -18.42720259
  H     16.76410957      5.75833517    -16.10453155
  H     17.83606671      8.99125087    -18.84996391
          69
 Energy    -248.20076331555481     
  O     16.34579910     11.10091411    -15.04372312
  H     16.49593576     10.87556289    -14.11525468
  H     14.53896781      4.71049509    -13.83566314
  O     14.05644023      5.07762227    -16.89051407
  H     16.64797544     10.34191901    -15.55528684
  H     14.13529266      7.12615929    -10.68993127
  O     12.95920409      7.69074273    -11.95894516
  H     14.00443057      4.57191339    -17.69717353
  H     14.93471941      7.60355714     -9.44998110
  O     11.83004550      5.58844355    -15.16407790
  H     14.34676059      5.97375546    -17.13929598
  H     15.22510753      7.76851352    -14.27633549
  O     13.61779033     11.64093529    -15.05398963
  H     12.09918066      8.10181851    -12.13697993
  H     15.04298063      9.15345687    -13.63780030
  O     14.80027366      7.59908793    -17.49037950
  H     13.52973283      7.89615434    -12.71810936
  H     18.10233760      8.64118554    -16.77574452
  O     14.93644640      9.23629696     -8.66299263
  H     12.13541430      5.23176993    -14.32182845
  H     17.20219821      8.00160513    -15.69500757
  O     18.79325462      5.38343885    -11.38426058
  H     12.52949786      5.40328500    -15.80289887
  H     11.17991122     10.03129812    -12.85807155
  O     12.91666408      9.15519573    -16.14537468
  H     14.58317213     11.58516080    -15.09280446
  H     10.64461362      8.81403975    -13.66553348
  O     14.57806223      4.16879683    -10.39900538
  H     13.29253785     10.91137956    -15.59664460
  H     12.71165531     11.71552113    -13.60463083
  O     16.78657195      3.67985971    -12.17065921
  H     15.63877508      8.00821896    -17.24783023
  H     11.73826896     12.53586400    -12.72672151
  O     15.28990475      4.56767991    -14.42868514
  H     14.10745052      8.20337213    -17.18917440
  H     13.48115490      4.53978244    -11.91034067
  O     14.85541088      6.88262099    -10.09077940
  H     14.52866015      9.77369956     -9.35944477
  H     12.94720260      5.89209463    -12.42658748
  O     14.55411505      8.41288776    -14.02044356
  H     15.53787389      9.81497791     -8.20015186
  H     10.93260373      7.07468568    -15.26991402
  O     17.22449444      8.66849037    -16.40207930
  H     18.14560849      4.71689262    -11.67070919
  H      9.67750523      7.80569555    -15.80172511
  O     10.84306231      9.13066386    -12.77465823
  H     19.64419694      4.95528332    -11.40948036
  H     13.47164020      9.42048174    -11.22306951
  O     12.18382931     11.69503490    -12.78516731
  H     13.46582896      8.90110165    -15.38623718
  H     13.27289889     10.91376467    -11.51026203
  O     13.11225579      4.97610618    -12.68828595
  H     12.03437068      8.80744615    -15.97114850
  H     17.01456459      7.05227478    -13.45031612
  O     10.49986356      7.94482160    -15.33938260
  H     14.36414499      3.72281442     -9.58323455
  H     16.40602171      5.99063494    -14.41879830
  O     13.80665014     10.29582629    -10.99299728
  H     14.74048165      5.10113654    -10.17541588
  H     15.50078834     10.26900093    -11.84826532
  O     16.83339614      6.85674844    -14.37999565
  H     16.07058001      3.73289633    -11.52581901
  H     16.66318993      9.26832245    -12.11753618
  O     16.23247296     10.06998921    -12.44549265
  H     16.37506383      3.83022902    -13.03055708
  H     17.82772775      6.86515367    -11.50292093
  O     17.13292758      7.51987103    -11.67129627
  H     14.93781879      4.62051013    -15.32656239
  H     16.38213840      7.26952727    -11.11866700
          69
 Ord_Energy   -248.200729    
 O   -5.36288881      -2.00514483       1.05406404    
 H   -4.51291370      -2.45174122      0.892286420    
 H   -6.04459286      -2.65251827      0.894422948    
 O   -1.73288918      -1.35505354      -1.24138808    
 H  -0.818678617      -1.40154409      -1.54241073    
 H   -1.77003157     -0.665648043     -0.560551643    
 O    4.51565012E-02  0.282182544       4.82048368    
 H   0.863334954      0.655115843       4.46857166    
 H   0.230305076     -0.651842535       4.98280382    
 O  -0.419715315       3.83803439       2.42630601    
 H   -4.04419303E-02   4.64871120       2.75413537    
 H  -0.887991011       3.42211390       3.17309451    
 O  -0.713385105      -2.85882521       2.38356376    
 H   -1.30372310      -2.14633060       2.68072820    
 H   -8.23836029E-02  -2.42442608       1.79215848    
 O   0.633767128      -2.53862739       4.77826071    
 H   0.524654686      -3.25962400       5.39320850    
 H   0.146419466      -2.78314877       3.97349095    
 O    1.02796543      -1.20816910      -1.84741795    
 H   0.993388176     -0.233792335      -1.80507183    
 H    1.58470440      -1.43771982      -2.58548093    
 O   -2.93753266      -3.12473130      0.549176872    
 H   -2.54268074      -2.62438822     -0.179279849    
 H   -2.22200084      -3.26941824       1.17711449    
 O   -2.02595901     -0.612460136       3.15810823    
 H   -1.33922863     -0.202899754       3.69672847    
 H   -2.06056285     -0.140289932       2.31184101    
 O   -4.62880039       2.95569706       1.35481870    
 H   -4.90973520       2.16871858      0.866076291    
 H   -4.60215712       2.69964004       2.28434348    
 O   -2.24492478      0.592380583      0.720377207    
 H   -3.19190931      0.525717914      0.525179446    
 H   -2.03179431       1.52593589      0.616928220    
 O   -2.16486979       3.39785099      0.309237719    
 H   -3.06771779       3.35199833      0.664628148    
 H   -1.58369398       3.70111442       1.01588845    
 O    1.07302880      -1.22484756      0.954938054    
 H    1.15568697      -1.34593236       9.65200015E-04
 H   0.887996852     -0.287283152       1.09655988    
 O    2.78225970      -1.55358911       3.15776825    
 H    2.31123900      -1.55295360       2.31175518    
 H    2.19612408      -1.99857402       3.78221035    
 O   -1.66454256       2.68613982      -2.25585938    
 H   -1.88250768       3.02865934      -1.37121296    
 H   -1.72989523       3.42374420      -2.85785532    
 O   -3.53670788      0.460145324      -2.43859076    
 H   -2.96023750     -0.284981787      -2.22107959    
 H   -2.95226860       1.22693110      -2.47212052    
 O    1.00237274       1.62611198       1.38330293    
 H    1.65595567       1.48878109       2.08169866    
 H   0.478433996       2.38009548       1.68175960    
 O    2.54974818       1.08524156       3.66817021    
 H    3.31868958       1.47724247       4.07261753    
 H    2.75825500      0.145846546       3.51454782    
 O   -4.92348385      0.549458385      -5.31795509E-02
 H   -4.60268545      0.501492798     -0.967040300    
 H   -5.19143009     -0.333470970      0.228985891    
 O   -4.75762558     -0.608648121       3.49656463    
 H   -5.09111309      -1.08505297       2.72861385    
 H   -3.79574537     -0.727158427       3.47687459    
 O   -4.44197989       2.02270246       4.06659508    
 H   -5.08867788       2.30375457       4.70945835    
 H   -4.62866354       1.08626544       3.87730789    
 O   0.783463359       1.43847716      -1.46445060    
 H   -2.44106203E-02   1.87702715      -1.75842071    
 H   0.893462837       1.62947524     -0.524311841    
 O   -1.66415942       2.57379532       4.43929243    
 H   -1.18320131       1.80757928       4.77188873    
 H   -2.59391117       2.32608271       4.35353470    
          69
 Ord_Energy   -248.200592    
 O   -1.43335366      -4.77050591       3.91678429    
 H   -1.31464875      -4.18224096       3.15717244    
 H   -2.22663808      -5.27416039       3.70395637    
 O   -3.95304942      -5.77022409       2.87161994    
 H   -4.28998327      -6.64128208       2.67991042    
 H   -3.98773384      -5.26952696       2.03734231    
 O   -1.39858353       1.44567323       6.07672262    
 H   -1.16139638       2.04204273       6.78118849    
 H   -2.37067437       1.36852407       6.08870173    
 O  -0.838026047       2.14034963       3.29984331    
 H   -1.05737650       2.02426577       4.23182583    
 H  -0.135352433       1.50329018       3.12272811    
 O   -4.75697231      -3.71399522       4.61023760    
 H   -4.58769131      -4.48425007       4.05701065    
 H   -4.16824818      -3.00975442       4.29744911    
 O  -0.656775534      -1.01748657       5.03405714    
 H  -0.680782557      -1.80351424       5.59453726    
 H  -0.880561888     -0.232067108       5.55278206    
 O   -3.98870349      -4.20124865      0.636614144    
 H   -4.56202221      -3.42245913      0.717371821    
 H   -3.69529390      -4.25128984     -0.284538090    
 O   -4.35024214      0.404069245     -0.535616338    
 H   -3.80897331      0.839775264      0.143563047    
 H   -4.81484318       1.09773898     -0.997644603    
 O   -3.05292773      -1.69833910       3.70506120    
 H   -2.30272579      -1.40216303       4.23406935    
 H   -2.66900849      -2.16146612       2.94836020    
 O   -1.68002450      -3.06878734       1.72912621    
 H   -1.38326073      -2.26575279       1.28303874    
 H   -2.40860868      -3.44830871       1.21944118    
 O   -4.69461250      0.472519875       3.36847568    
 H   -5.59043694      0.195982426       3.14418507    
 H   -4.16731024     -0.337263018       3.46741605    
 O   -2.83522964       1.35642660       1.55571842    
 H   -3.53438354       1.11019957       2.18001032    
 H   -2.14888239       1.78554654       2.08557439    
 O  -0.919810891      -3.50549269       6.26377392    
 H  -0.324530572      -4.05068064       6.77141094    
 H   -1.10404921      -3.98967457       5.43766928    
 O   -2.97120309      -3.95998263      -1.88468027    
 H   -2.71340752      -3.02317500      -1.84268355    
 H   -2.63944197      -4.28734112      -2.71572733    
 O   -4.05221367       1.12523437       6.00911570    
 H   -4.35784721       1.01411557       5.09881735    
 H   -4.50194836      0.449885786       6.53168964    
 O  -0.915677190     -0.578402162      0.768755138    
 H   -1.60008442       5.51356897E-02   1.02577949    
 H  -0.187050998     -0.448592335       1.38844037    
 O   -5.42803860      -1.89515018      0.840415716    
 H   -5.11128759      -1.12659180      0.351493210    
 H   -6.06855345      -1.56402183       1.47991836    
 O   0.856757581     -0.163032487       2.90927553    
 H    1.77952385     -0.342124104       3.06972504    
 H   0.361729622     -0.545007706       3.65438342    
 O   -5.30691433     -0.973378420       7.42231417    
 H   -5.66140890     -0.983120501       8.30771923    
 H   -4.67371178      -1.71130919       7.36879921    
 O   -7.16518784     -0.716732681       2.79733610    
 H   -7.11570644      -1.17173898       3.65787363    
 H   -8.07553387     -0.463780999       2.67323565    
 O   -3.64152431      -3.09310102       7.08644724    
 H   -2.69763756      -3.20541763       6.93248844    
 H   -4.07294989      -3.46704197       6.30440807    
 O   -2.30921960      -1.31320238      -1.58409464    
 H   -1.64917707      -1.08374941     -0.917958140    
 H   -3.06541228     -0.748001516      -1.38505912    
 O   -6.82088900      -1.95459294       5.16634941    
 H   -6.22260475      -2.68576431       4.95305252    
 H   -6.43995237      -1.53356183       5.94494009    
          69
 Energy    -248.20050144437630     
  O      1.56025867      1.94794500      2.82363388
  H      0.88873132      2.26973295      3.43600605
  H     -2.85083947     -4.32973388      4.70437555
  O      0.95115805      2.99961425      0.20248959
  H      1.35456857      2.31777213      1.95653423
  H     -4.20152142     -0.12557796      3.48221928
  O     -0.97489221     -1.33434201      4.81832410
  H      1.30063978      3.84016963     -0.08256912
  H     -5.21540364      0.89078626      4.05117977
  O     -0.09062558     -3.69288725     -2.56993798
  H     -0.01731231      3.05411606      0.11022952
  H     -2.43506427     -1.00569046     -0.27306005
  O     -2.40739407     -0.58674085     -3.87369205
  H     -1.54871551     -2.10941142      4.77116309
  H     -1.83419492     -2.35637657      0.24930334
  O      0.37994527     -1.16273972     -3.43100811
  H     -0.97314506     -0.95292538      3.92755393
  H     -1.97076035     -3.31443311     -2.52211659
  O     -2.33935648      2.24081325      2.55327308
  H      0.36927027     -4.33269097     -3.10647679
  H     -2.98905309     -2.67789696     -1.55620158
  O     -1.94053772      0.41225155     -1.29477184
  H      0.15922293     -2.81167966     -2.90143510
  H     -1.77463574     -0.79407736      1.76292022
  O      0.85930141      0.54953383     -1.23309582
  H     -2.65217811     -1.43568320     -3.46356393
  H     -1.44119714      0.63175192      2.26960514
  O     -4.00606427     -1.67370618      2.68779003
  H     -2.99621842     -0.45392091     -4.61119353
  H     -0.11571208     -3.50153645     -0.73358427
  O     -0.32950316     -4.22003703      2.83576713
  H      0.67408829     -0.52251746     -2.76942533
  H      0.37762859     -2.56152136      0.41109255
  O     -2.56251735     -3.58747300      4.18070654
  H     -0.48947530     -0.86656656     -3.72784128
  H      2.06461949     -1.86374046      3.83780882
  O     -4.28371850      0.74589915      3.90838109
  H     -1.75775263      2.59876023      3.23695289
  H      0.73799887     -2.10670888      4.57147440
  O     -2.62778956     -1.79905484      0.24991443
  H     -3.08618683      1.81755817      2.99730419
  H      1.96346259     -0.95122294      1.54650751
  O     -2.83964136     -2.89257943     -2.48331334
  H     -2.18529845      0.21267597     -2.20697663
  H      0.44066285     -0.72723203      1.42668601
  O     -1.10259425     -0.27042307      2.21353491
  H     -0.97269137      0.44120197     -1.26799634
  H     -0.39138255      3.63856396      5.15279007
  O     -0.26422107     -3.25198882      0.18628260
  H      1.08110738     -0.06698892     -0.51895492
  H     -1.01867076      2.22601056      5.09675485
  O      1.48929402     -2.56219570      4.16794981
  H      1.00490233      1.43111567     -0.87032009
  H     -1.63654504      0.16178919      5.61472471
  O      1.21581999     -1.06303432      0.94841645
  H     -3.74294004     -1.81110825      1.76925682
  H     -2.91235930      0.94443786      5.28277830
  O     -0.51830686      2.88515467      4.58213358
  H     -3.58240275     -2.37544412      3.20010391
  H      2.49143274      0.47626761      2.98793706
  O     -2.07636301      1.01272331      5.75883589
  H      0.40226582     -3.73881748      3.25000470
  H      3.88928980     -0.16716524      3.14401504
  O      2.97134139     -0.37169995      2.98874112
  H     -0.28850716     -4.03090044      1.89105303
  H     -2.06195635      2.78793827      0.85509977
  O     -1.74149895      2.93407211     -0.04672877
  H     -1.78387772     -3.88656685      3.67454135
  H     -1.97378592      2.13668978     -0.53963229
          69
 Energy    -248.20043549330083     
  O     12.19698203     -5.20930687      7.30897276
  H     11.49550518     -5.24380273      6.66513205
  H     14.57355633     -6.84855662      8.66852702
  O     11.57864871     -5.50214071     11.84970772
  H     11.83394713     -4.77076777      8.10192757
  H     14.63406029     -3.72051516      8.49645278
  O     17.50767095     -2.81866083      9.77934451
  H     11.77821995     -6.42147712     11.63189679
  H     13.76711993     -4.23683123      7.31744996
  O     16.31479905     -6.42222139      9.09168107
  H     12.40603120     -5.17949825     12.22682574
  H     17.48666811     -3.72322426      8.17941134
  O     14.94913120    -10.03016801     11.12315674
  H     18.13083323     -3.30264941     10.33369198
  H     16.32158243     -4.09921397      7.23531472
  O     14.42168769     -5.46773993     12.16035008
  H     16.60946337     -3.03609534     10.07545843
  H     13.70379931     -8.57004832     11.29113951
  O     14.86726102     -3.45168364     10.31789678
  H     16.60457071     -5.66871976      8.56394848
  H     13.24553320     -7.61073365     10.17822901
  O     19.00535215     -6.25957518      6.71536253
  H     16.76549836     -7.20164941      8.73877229
  H     11.33076394     -4.49223839     10.34186945
  O     20.05783908     -6.32408945      9.39781326
  H     14.67271749    -10.91991616     11.32813561
  H     11.72677167     -3.11711816      9.74508043
  O     17.48090745     -8.90674959     11.76135789
  H     15.03291798     -9.98005458     10.15392154
  H     17.15718298     -1.15344016      9.09309813
  O     17.70199891     -8.52440812      7.84929746
  H     14.00964794     -6.27895053     11.82807115
  H     17.56574438      0.21882277      8.53544036
  O     13.72588245     -7.26728182      8.45826230
  H     15.36168925     -5.67147143     12.25223574
  H     20.05751008     -9.76747225     10.16940190
  O     14.57441752     -3.75334450      7.52911436
  H     14.66532952     -4.15751385     10.94697026
  H     18.77677706     -9.04258214     10.65320252
  O     17.24481910     -4.30424553      7.44465099
  H     14.18301955     -2.77571527     10.40450522
  H     20.02580871     -4.24456511     11.76709122
  O     13.17463964     -7.78127625     11.12893713
  H     19.43994355     -6.07755910      5.88605481
  H     19.61033759     -5.11278795     10.55380322
  O     11.34753440     -3.97507934      9.52406435
  H     18.38873916     -5.52433333      6.87532594
  H     15.08011375     -0.64043119      8.13597637
  O     16.81301049     -0.35092726      8.67246272
  H     19.81028318     -6.26761162      8.46786365
  H     14.30357893     -1.84108725      7.55855599
  O     19.46598994     -9.04922824      9.96338034
  H     19.93935626     -7.24930434      9.64829923
  H     14.56954429     -8.94306021      8.27673604
  O     19.28570891     -4.46877832     11.20926009
  H     17.32805145     -7.96511998     11.91902504
  H     16.02900992     -9.41933856      8.09427902
  O     14.18957137     -0.95385522      7.92148493
  H     16.61494309     -9.30848430     11.62131753
  H     12.49361217     -0.80802801     10.63842969
  O     15.16556344     -9.68925691      8.43088665
  H     18.15327998     -7.86491434      7.30742477
  H     13.21255560     -1.24459984      9.33755789
  O     12.78502357     -1.57249217     10.14954008
  H     18.33650634     -8.81441962      8.51957548
  H     16.77031572     -6.23886933     10.82931363
  O     17.06770401     -6.14442396     11.74882449
  H     13.17818435     -6.61417302      8.00799638
  H     17.83179266     -5.55828179     11.72656834
          69
 Energy    -248.20029251338394     
  O     16.47421307     11.91500337    -10.42491994
  H     16.98854556     12.57094938     -9.96213496
  H     13.92994043      7.41870765    -13.14798236
  O     13.23910829      6.09773053    -10.32742479
  H     17.08678003     11.19808349    -10.66874409
  H     14.91539864      5.02577059    -15.30577350
  O     16.18757004      9.86380264    -15.82739761
  H     13.73455790      5.41381142    -10.79103901
  H     14.17579515      5.55466769    -14.06418636
  O     17.45974472      8.80380329    -13.58548255
  H     13.90530635      6.65124112     -9.89383033
  H     16.54051774      5.71564789    -14.24296708
  O     15.00404030     12.31755714    -15.20166660
  H     15.42360977      9.27260549    -15.89709337
  H     17.74692459      6.07838519    -15.13564215
  O     15.22696579      7.82728985     -9.49841106
  H     15.84788608     10.75145422    -15.65707146
  H     15.20472173      8.15251969    -11.32588740
  O     13.89236640      8.30079869    -15.98249763
  H     17.09357617      9.24651715    -14.36247526
  H     15.92055360      8.58968925    -12.65001520
  O     12.69146375     10.59440492    -15.01006226
  H     17.53741961      7.86523936    -13.80578133
  H     15.02401722     10.98143541     -9.68266631
  O     15.11280809      5.84685083    -16.91365643
  H     14.94427627     12.38412967    -14.23098026
  H     13.66670218     10.42444809    -10.15073972
  O     11.44045996      7.72462794    -11.56114975
  H     14.98900819     13.20831754    -15.54077043
  H     14.92235084      4.31807887    -12.66028571
  O     17.45522782      5.59068815    -11.43986976
  H     16.17785579      7.76196068     -9.35532590
  H     14.87734506      3.24692583    -11.55105206
  O     13.21934670      6.96567065    -13.63184966
  H     14.94149104      8.73486237     -9.31232141
  H     13.75208747      9.61681765    -12.17311635
  O     14.84618975      4.91277912    -14.34674367
  H     13.64164379      7.74216161    -15.23390983
  H     12.25848490      9.44872850    -11.85628338
  O     17.43123746      6.09175532    -14.22341339
  H     13.37833694      9.11046762    -15.84689356
  H     17.86704851      6.77395990    -10.24849181
  O     15.06425050      8.41012657    -12.24577335
  H     13.36438386     11.27491429    -15.13456981
  H     18.65369099      7.13003374     -8.96426814
  O     14.29370393     10.40453074     -9.42060728
  H     12.63432265     10.45430540    -14.05869749
  H     18.52893897      5.74383463    -17.58272020
  O     14.95958704      4.18669352    -11.69824137
  H     14.69626333      6.71207090    -16.81031829
  H     18.09466075      7.17996461    -17.20623198
  O     12.92674426     10.11624839    -12.05462673
  H     16.05163806      6.00956764    -17.06223014
  H     18.16338262      9.09249610    -10.54485228
  O     18.01782268      7.47321227     -9.58608197
  H     10.55412712      7.50923992    -11.28416070
  H     18.02402957      9.56320628    -12.00860081
  O     17.98023674      6.24072216    -16.98125409
  H     12.03900276      7.13547696    -11.06547635
  H     15.31941130     12.24899210    -11.83913004
  O     18.11171124      9.88031074    -11.09928940
  H     16.62734851      5.09765306    -11.39583827
  H     13.95012942     11.71273052    -12.31553524
  O     14.65899730     12.32799528    -12.53895596
  H     17.62841944      5.72705019    -12.37975086
  H     18.70261959      9.61183980    -17.81506384
  O     18.14700915      8.90355951    -17.50084322
  H     12.42363385      7.11781475    -13.11308733
  H     17.45656200      9.32058227    -16.96026345
          69
 Energy    -248.20018084595307     
  O     10.44564738     13.26902153    -11.61962005
  H     10.11235317     12.38678546    -11.41634277
  H     15.93176259      9.08900007    -12.88103869
  O     14.18926611      8.52050644    -16.51448650
  H     10.62644180     13.27200051    -12.56759380
  H     14.97608446      8.08870019    -14.97740322
  O     11.58081827     10.07896562    -13.16076923
  H     14.15145612      8.07283205    -17.35597875
  H     15.85681984      7.03556711    -14.27153464
  O     13.19373810     11.90995128     -9.23134817
  H     13.27885484      8.79907510    -16.30550924
  H     14.34609678     14.54726196    -11.99795968
  O     14.49430151     11.40246876    -16.91230609
  H     12.36515416     10.44210655    -12.71562354
  H     13.77155395     14.84058391    -10.60962257
  O     13.25715425      7.64463153     -9.73252287
  H     10.84236176     10.14623453    -12.54052586
  H     12.43058908      8.38082621    -12.74290122
  O     13.72754577     11.13158079    -11.87066940
  H     12.86771452     12.81564002     -9.31053831
  H     13.76941844      7.66461404    -13.01820117
  O     11.43126214      9.78018811     -9.27763990
  H     14.06652214     11.92718393     -8.81894446
  H     17.36654392     12.34903705    -11.98907694
  O     16.66445593     13.10533063    -10.62978207
  H     15.08309196     11.81023447    -16.25782682
  H     18.65466964     12.04024712    -12.78831751
  O      9.69036153     10.52606453    -11.17694002
  H     14.56868858     10.45143161    -16.79150739
  H     11.37714149     12.64840822    -15.25210526
  O     13.81091222     13.44956789    -13.39152976
  H     13.17204125      7.61194817    -10.70147961
  H     11.31488550     11.82549760    -13.95461544
  O     16.09966480      9.68373003    -12.14099554
  H     13.13998953      6.75172615     -9.41775309
  H     16.25965844     11.59179671     -7.48224990
  O     15.33418488      7.81946542    -14.11638854
  H     14.55427231     10.63558660    -11.92079880
  H     15.80346842     10.70407613     -8.66729705
  O     14.58923285     14.86925815    -11.11833043
  H     13.57453515     11.37940278    -10.94984817
  H     16.63138227     12.32804785    -14.25607455
  O     12.99555804      7.65967279    -12.44299661
  H     12.00650646      9.01143524     -9.36583161
  H     15.24996318     12.98006441    -14.43282421
  O     17.72159228     11.85025851    -12.74932347
  H     12.01976062     10.53681914     -9.14092051
  H     11.68185092     12.50632139    -17.79103138
  O     11.23513837     12.72421096    -14.29931315
  H     15.98713069     13.78567738    -10.75878171
  H     12.85524918     11.93818278    -16.95641522
  O     15.81371352     11.61679653     -8.32414021
  H     16.44020400     12.64289564     -9.81571480
  H     15.92145837      9.26982332    -10.36758253
  O     15.96759672     12.54801587    -14.91741703
  H      8.80986570     10.22440610    -10.97204829
  H     14.85513153      8.63724837     -9.45064814
  O     11.89641018     12.11734613    -16.94794285
  H     10.26892279     10.23485992    -10.44769739
  H     11.48558422     14.05332824    -10.45591670
  O     15.66137871      9.16624925     -9.44131070
  H     12.93752298     13.40502818    -13.79546371
  H     11.58708378     15.05991221     -9.28701157
  O     12.08485794     14.41033869     -9.77609154
  H     13.86498858     12.66628119    -12.82236088
  H     11.64772521     10.32741080    -16.32330060
  O     11.73110533      9.45937690    -15.90792351
  H     16.73099756     10.35957481    -12.42374725
  H     11.60491860      9.60112734    -14.96072951
          69
 Energy    -248.20011816581436     
  O     -0.04340042      3.57972170      5.20366013
  H      0.65858059      3.17097146      5.72214413
  H     -1.68329901     -3.42780045      1.92117611
  O     -2.57450812      2.74658975      5.31092895
  H      0.30990798      3.70397061      4.31215167
  H      0.06852792     -4.89448465      3.14995525
  O      2.13672431      2.18920849      6.41154890
  H     -3.01560554      3.08429219      6.08496285
  H     -0.21740547     -3.51034726      3.77598366
  O      0.57102000     -1.26760099     -1.17326714
  H     -1.66959145      3.11233266      5.31299823
  H     -1.54940691      0.27038192      1.17513135
  O     -1.43099012      2.49806053     -1.06565888
  H      2.71557507      2.37278991      7.14601782
  H     -1.16129084      0.32537606      2.68173188
  O     -2.88156061      0.40671763     -0.13159274
  H      2.63524841      2.39640624      5.59955140
  H     -2.98614726     -0.76094292      3.70888688
  O     -1.64308805      0.25001528      4.48320544
  H     -0.33610158     -1.59076404     -1.23878894
  H     -4.15792988     -0.55818626      2.74165373
  O     -4.79113806      0.92351685      1.70319536
  H      0.88900655     -1.55720714     -0.30833993
  H      1.62214665     -0.00517663      4.26100790
  O     -1.36806739      4.43954974      1.09523670
  H     -0.56218797      2.20758072     -1.36891497
  H      1.41315054      0.62793147      5.65823003
  O      1.07940393      1.31862224     -1.77498915
  H     -1.28924802      3.16476120     -0.38284815
  H      0.72861683     -2.66673121      1.96270360
  O     -0.34848518     -2.46138817      5.18533362
  H     -2.67220712     -0.41270393     -0.59543080
  H      0.34988434     -1.19687381      1.65430323
  O     -2.38981707     -3.00784130      1.41944877
  H     -2.42200278      1.14636432     -0.55974955
  H     -2.57500810     -2.71937815     -1.68852463
  O     -0.15831029     -3.99393913      2.93395740
  H     -2.00456802      1.07787505      4.82407554
  H     -2.23079432     -2.47964167     -0.19754156
  O     -0.80528985      0.25332072      1.78874042
  H     -0.70671516      0.21803844      4.72474636
  H      2.61249387      3.20062499      3.49040535
  O     -3.63238257     -1.24130980      3.17556154
  H     -5.65700552      0.98096306      1.30741499
  H      3.24426654      1.78678588      3.54514471
  O      1.08048747     -0.05204263      5.06066674
  H     -4.16497057      0.72832892      0.98223312
  H      1.40049711      1.67414066      0.00180675
  O      1.05306467     -1.85689851      1.55242105
  H     -1.75112143      5.27974746      0.85436580
  H      0.53794897      1.27207342      1.23044611
  O     -2.14196868     -2.11056885     -1.09675298
  H     -2.04155950      3.97202273      1.62181661
  H      2.35292256     -0.74250208      2.39189461
  O      3.23379849      2.64836735      3.98149446
  H      1.62911326      1.37675374     -2.55114560
  H      2.32373750      0.74315243      2.07801040
  O      1.35013434      1.73221705      0.96214371
  H      0.90885704      0.37134686     -1.61923748
  H      1.19388818      3.13405900      2.01265285
  O      2.65728531      0.10931996      2.73211651
  H      0.30899843     -1.75238862      5.23515625
  H      0.21376560      4.27868891      2.16388409
  O      0.97791616      3.87764714      2.59606823
  H     -1.19174592     -2.00525638      5.22352743
  H     -3.07382086      3.04053859      3.53090832
  O     -3.22102162      3.13598993      2.58220639
  H     -2.86725660     -2.43610196      2.03828912
  H     -3.80947305      2.41790132      2.32188888
          69
 Energy    -248.19990916180154     
  O     16.52957960      5.37992122    -16.34444756
  H     16.47179954      6.34358913    -16.37953897
  H     17.47421250     11.89287295    -14.14136926
  O     18.09733562      6.15079170     -9.96307802
  H     15.67015527      5.08088980    -16.02272202
  H     16.42820059     11.11654260    -16.17606082
  O     13.34452128     10.92234278     -9.79467664
  H     18.87428250      5.67024877     -9.68794442
  H     15.79960020     11.37935012    -17.56799434
  O     18.52800077      4.45211806    -14.73558118
  H     18.05572751      6.08627082    -10.93316368
  H     16.32523036      8.96132202    -11.03485197
  O     12.16138315      8.29404291    -10.00316521
  H     12.85621699     11.68352156     -9.48923723
  H     15.39387330      9.85829759    -11.92133587
  O     15.39393425      5.30248405     -9.65455514
  H     13.73646935     11.17158583    -10.64715927
  H     13.47057200      4.02582650    -15.11440574
  O     13.60256731      7.40188989    -12.14661642
  H     17.85147004      4.73964960    -15.37321027
  H     14.41392583      4.79585194    -14.16452446
  O     18.75908096     10.43610817    -11.65054447
  H     19.16099925      3.94172708    -15.23211812
  H     14.76351981      8.52416349     -8.15647411
  O     13.80421886      6.90633125     -8.13720362
  H     12.62238181      7.80312895     -9.30977830
  H     14.62767478      9.94242663     -8.74427161
  O     16.07518465      8.14541846    -16.00948787
  H     12.46090055      9.20817191     -9.92524182
  H     16.00569772      5.45450610    -12.61302165
  O     17.80467683      6.06138634    -12.67833565
  H     16.32731092      5.54757300     -9.64381057
  H     14.53193465      5.90786129    -12.35341020
  O     17.60323093     11.33066459    -14.91412624
  H     15.20223781      5.05576233    -10.56630065
  H     17.58161064     13.38025213    -12.06545481
  O     15.72183896     10.83863349    -16.78719762
  H     12.96703892      7.64333936    -11.46066700
  H     17.79226768     11.84822863    -12.04873821
  O     15.78359481      8.97804481    -11.83420092
  H     14.39393061      7.94140563    -11.99530115
  H     17.76048788      7.97145130     -9.63574140
  O     14.04696399      4.78430370    -15.06470219
  H     18.44729918      9.96354390    -10.86411035
  H     16.80854398      9.08149147     -9.06091906
  O     15.24439997      9.34984314     -8.29820413
  H     18.73666359      9.79455736    -12.36706433
  H     14.29227465     11.20536207    -13.06910506
  O     15.09716054      5.13681080    -12.52539604
  H     13.53321155      6.40688942     -7.37134425
  H     15.43958596     11.94960423    -12.28720753
  O     17.20875970     12.55795022    -12.37265610
  H     14.34491934      6.30797029     -8.68182173
  H     13.56893240      6.68626024    -15.13211170
  O     17.54085559      8.91007959     -9.67431041
  H     15.98903543      8.99591939    -16.45619902
  H     13.49129943      7.59869322    -13.90432435
  O     14.61484509     11.45721260    -12.18871599
  H     15.21739604      7.97239275    -15.59311832
  H     13.57045371      9.58950256    -14.75920709
  O     13.58430256      7.61408782    -14.86973683
  H     17.84908704      6.93953424    -13.07472333
  H     14.39096870     10.71000326    -15.41262888
  O     13.84225711     10.50729525    -14.64510924
  H     18.13771387      5.43605258    -13.34056973
  H     17.20362916      8.41744409    -14.61463041
  O     17.65853388      8.66557363    -13.79605263
  H     17.76487121     10.44594051    -14.56396319
  H     16.96340108      8.81504522    -13.13381705
          69
 Energy    -248.19980040955343     
  O      4.51240182     -2.64349009     -2.32599223
  H      5.18420156     -2.58776351     -3.00005103
  H      1.89849728     -7.82648498     -1.12292223
  O     -0.02940141     -4.40583042     -1.48723184
  H      4.95119006     -2.46336008     -1.47478929
  H      2.71642370     -5.30272949      1.59432705
  O      0.66079041     -4.48684842      4.32147625
  H      0.93442986     -4.44782922     -1.55363644
  H      4.08437624     -4.51832810      1.58658230
  O      3.78810778     -0.28379602      1.34762927
  H     -0.36603683     -5.15418174     -1.99629390
  H     -1.20220996     -4.57156684      1.60034823
  O     -1.15348330     -7.80319957     -0.07804663
  H     -0.19551835     -4.23974825      3.95124638
  H     -0.55853346     -4.83749191      0.19427849
  O      1.40147398     -6.31797512      2.27297568
  H      0.99567643     -5.20235193      3.76713504
  H      4.20703784     -1.05840517      3.00504501
  O     -0.54553237     -1.59599022     -1.49047516
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  H     -2.49237129     -3.04803090      3.17933019
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  H     -1.21219255     -6.95695320      0.38733593
  H     -1.06540355     -2.58507952      2.80126906
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  H     -1.14890674     -7.57891833     -1.01705587
  H      1.45392579     -2.98106264      4.72933652
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  H      1.66650514     -1.90787569      5.82193159
  O      1.91929089     -7.43472544     -2.00403457
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  H      1.42310486     -9.53341939      0.75791242
  O      3.28767824     -4.71634957      1.07983897
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  H      0.43316383     -8.40614100      0.38127977
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  H     -0.17593685     -0.04413488      1.28962940
  O     -0.63729978     -6.87802568     -2.73388894
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  H     -0.45725885     -0.27096818     -0.21315918
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  H      3.36084560     -4.12203014     -1.98740203
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  H      5.08907959     -1.32691099      0.48240135
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  H      2.33362227     -6.56526272     -1.91494080
  H      5.71515618     -2.69399973      0.80187447
          69
 Energy    -248.19970987255940     
  O     -1.02099095      1.73008955     -4.07602073
  H     -1.66156733      2.40906710     -3.79600169
  H      0.88674879      2.44809767      2.87340003
  O     -5.39141718      3.23138020      0.46722599
  H     -0.88531885      1.85521771     -5.01218690
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  O     -2.74306554     -1.27638413      2.91978501
  H     -5.17846879      2.58946184      1.15296127
  H      1.64006043      3.62359593      0.18628171
  O     -0.44870052     -0.43644685     -0.63601048
  H     -4.84143385      3.99836816      0.66825325
  H      2.80319440      0.09862209      1.04159840
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  H      1.67863460     -0.37411363      2.00242929
  O     -3.58185914     -2.32375741      0.59579865
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  H      2.73736871      1.33832865      2.93899996
  O     -2.11428403     -2.31760256     -1.84348414
  H     -0.35165099     -0.54431080      0.32058252
  H      3.15151042      2.14908307      4.19275273
  O      0.90991964      1.42257987     -2.02701740
  H     -0.94487159     -1.18300550     -0.99291264
  H     -5.14561132      2.28613902     -1.14436733
  O     -0.22123392     -0.34385761      2.08939950
  H     -2.34746340      0.41425401     -3.55135349
  H     -3.84321840      1.50457372     -1.26744305
  O      3.27707256      0.86429342     -0.67849406
  H     -3.75217686      0.38327941     -2.90741566
  H     -3.08160525      2.57926273      2.89226993
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  H     -4.34910202     -1.77623912      0.37072313
  H     -1.61741182      3.06602521      2.92029082
  O      0.04264354      2.42179537      2.40462805
  H     -3.08640202     -2.43279916     -0.22267569
  H     -5.46260146      0.15702066     -0.63246988
  O      0.73106324      3.47351956     -0.11004072
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  H     -5.22005142      0.09654500      0.87476036
  O      2.60763683     -0.11113749      1.96308670
  H     -2.50159631     -1.59905631     -2.37541262
  H     -1.71823111      0.89260025     -0.39861912
  O      2.68736714      2.21456163      3.36291495
  H      0.47594129      0.69895477     -1.54486105
  H     -2.12270258      2.41751538     -0.35821414
  O     -4.68303318      1.66782542     -1.72878938
  H      0.36119611      1.58771498     -2.80240426
  H     -0.88766194      4.17518913     -0.47844736
  O     -2.53061692      3.35519718      3.05124004
  H     -1.03582585     -0.69339768      2.47028253
  H     -2.31840288      4.66672775     -0.04161033
  O     -5.54369904     -0.42534619      0.13022915
  H     -0.21954352      0.61426839      2.23367423
  H     -3.66735805      2.96813371     -2.84322670
  O     -2.41551382      1.51638729     -0.16856878
  H      3.95515075      0.50375252     -1.24561685
  H     -2.51094748      3.86319927     -2.36870027
  O     -1.82091144      4.20832291     -0.73077693
  H      2.51615663      1.05814599     -1.24837998
  H     -3.10724647      4.61165207      2.00363459
  O     -2.88949279      3.44314461     -3.15564474
  H     -3.64195755      0.33401371      2.49233114
  H     -3.61378990      6.04781152      1.71776926
  O     -3.43941898      5.20588509      1.30622813
  H     -3.41655731      1.26404152      1.27594182
  H      3.22573680      3.09160440      1.72655840
  O      3.31435443      3.35460029      0.80177410
  H      0.21186270      2.77751668      1.52117321
  H      3.47331344      2.53758676      0.31196408
          69
 Energy    -248.19955729505864     
  O     15.93378333     11.80915222    -10.16818925
  H     15.96813258     12.29220154    -11.00326235
  H     14.80947905      5.04288330    -15.16112530
  O     11.76353333      6.64391975    -10.52980437
  H     14.99841773     11.71400696     -9.95294109
  H     17.87941912      6.29286784    -13.94665603
  O     17.92703058      9.45541100    -14.96369625
  H     12.42383839      6.07882110    -10.96785124
  H     17.15017036      7.18140346    -12.91795647
  O     17.06038643      8.89254759    -12.41409294
  H     10.91600957      6.24806739    -10.71019702
  H     14.05232067     10.15118498    -12.46988357
  O     16.74500022     12.07097662    -14.90861056
  H     17.66485907      9.33394171    -14.03800072
  H     13.99572415      8.94842886    -11.48794122
  O     13.34153323      8.72336077     -9.78812390
  H     17.14928303      9.25585083    -15.50844522
  H     12.54707310     11.72921537     -9.09965145
  O     15.68385210      8.90284417    -16.50264440
  H     16.10274331      9.04129172    -12.39214132
  H     13.13349730     10.44819992     -9.73757020
  O     14.75313043     11.54492634    -16.86590504
  H     17.40358618      9.16369739    -11.55507633
  H     14.58092201      5.16750809    -11.28398229
  O     15.26449476      4.42413140    -16.77148038
  H     16.09543869     11.97116211    -15.61655236
  H     13.92167262      5.21934698    -12.67009078
  O     13.71166457      8.08664335    -14.73466804
  H     17.30446056     11.28694161    -14.94420157
  H     12.89381705      9.80178285    -15.07791168
  O     16.44869543      5.33661851    -10.75437539
  H     14.16301002      8.31847928     -9.47020035
  H     12.80617823     11.15057965    -14.31352603
  O     14.68817634      5.52478825    -14.33058931
  H     12.70584583      8.01706787     -9.97563714
  H     16.47094036      8.30807874     -9.33832520
  O     17.21957871      6.27079935    -13.24463141
  H     14.98959760      8.58191600    -15.90800210
  H     16.04000654      6.86081854     -9.67927431
  O     14.36011551      9.24640890    -12.33106989
  H     15.40229974      9.77222796    -16.80995229
  H     18.38471699     10.02719098     -9.30145919
  O     13.10725320     11.41972195     -9.80623384
  H     14.40493694     12.01561860    -17.61790070
  H     17.04078597     10.50817573     -9.89975812
  O     13.72457386      5.18169685    -11.72460221
  H     13.99479593     11.32077532    -16.29580959
  H     16.48067363      7.35070262    -17.17181771
  O     12.78168461     10.75442964    -15.19393311
  H     15.87884423      5.12759789    -17.04282369
  H     17.72462270      6.55845006    -16.73653217
  O     15.77740561      7.65304734     -9.19529356
  H     14.95729717      4.01636879    -17.57624791
  H     16.16563296     12.78150996    -13.45020525
  O     17.63990139      9.74293153     -9.82373055
  H     13.90301579      7.14097702    -14.67974460
  H     15.94340740     14.12149686    -12.71459732
  O     16.95087020      6.51697024    -17.30940644
  H     13.90874946      8.44235121    -13.85548203
  H     18.77099022      7.88039872    -15.24375463
  O     15.76832048     13.18558705    -12.65831036
  H     16.90604828      4.54274732    -10.48635746
  H     19.96441618      6.93201223    -15.49774766
  O     19.02356914      6.94658014    -15.34143930
  H     16.79235683      5.57192240    -11.63110163
  H     13.07475583     11.78670897    -11.66410546
  O     13.31124150     11.82294101    -12.60038524
  H     15.56891706      5.76176930    -14.01206391
  H     14.09935934     12.37978075    -12.66627207
          69
 Energy    -248.19938294763415     
  O      1.37514935      0.04424113      5.33607351
  H      0.61037075     -0.52604000      5.53310752
  H     -5.13599859     -0.63497289      2.92625950
  O      1.14592873     -1.33675454     -2.61989449
  H      1.96536393     -0.01946711      6.08267669
  H     -1.38757877      3.50899820      1.19138147
  O     -0.81335034     -1.52363179      5.62346651
  H      0.50955481     -0.69112314     -2.28106544
  H     -1.92949891      4.88752255      0.74442567
  O     -0.55517986      0.22011068     -1.02443449
  H      0.85128273     -2.18111460     -2.25837611
  H     -2.53835166      0.24463421      3.96520036
  O      0.24287434     -3.53615475     -0.97031104
  H     -0.80414660     -1.98804075      4.77641500
  H     -2.89471855      1.05826200      5.22003357
  O      2.39246496     -2.73770944      0.51461142
  H     -1.58854793     -0.94720897      5.56797063
  H      0.59128763      2.01121560      1.43617206
  O     -3.88826425      3.09919514      2.97283164
  H      0.14060147      0.36950268     -0.37083524
  H      0.05110458      2.58667925      2.79604178
  O     -3.33108369     -3.25052021      1.94374450
  H     -1.08055197     -0.52906729     -0.71407112
  H     -1.79271517      1.59906838     -1.30272269
  O      0.13018350      2.50283982      4.52736621
  H      0.35181742     -4.46109527     -1.17689414
  H     -2.46026075      2.83346442     -0.63798060
  O      3.30559857     -0.58075795     -1.14652858
  H      0.98215033     -3.29530312     -0.38446054
  H     -1.26410693      1.06089924      2.11927917
  O     -5.57048217      0.97057754      1.95911646
  H      2.26646453     -2.32671915      1.37911326
  H     -2.48739949      0.28089380      1.55510287
  O     -4.69223738     -1.36842952      3.36815520
  H      2.85550620     -2.08103253     -0.02040509
  H      0.80375551     -1.68377586      2.79946965
  O     -2.17486303      3.97190668      0.85299817
  H     -4.48248645      2.40520495      2.66459845
  H      1.72303523     -0.76842717      3.63951618
  O     -2.89245878      0.16229918      4.86444408
  H     -3.39839267      3.41499461      2.20376289
  H     -2.94866778      3.54664300      5.95713359
  O     -0.12572766      2.51272973      1.84423559
  H     -3.84717732     -2.59311237      2.44404907
  H     -3.07376407      3.02325701      4.50667609
  O     -2.60613690      2.12400672     -1.27596760
  H     -3.80167879     -4.07650960      2.01593653
  H      2.28293523      0.38938225      0.10844423
  O     -1.83372104      0.29590218      2.26381965
  H      0.52301516      1.69431219      4.87775422
  H      1.63047564      0.03158689      1.46778967
  O      1.65454410     -1.21814034      2.78941773
  H     -0.74351874      2.60461883      4.92417694
  H     -1.61649453     -2.79837913      2.63060353
  O     -2.60322042      2.89687391      5.35126828
  H      4.08404552     -0.39218513     -1.66296072
  H     -1.17068754     -1.32968024      2.64093793
  O      1.60610495      0.66673196      0.73739639
  H      2.60402982     -0.83281613     -1.77348188
  H     -1.34639566     -2.64298422     -0.58538918
  O     -0.88641407     -2.22558455      2.88593230
  H     -4.99559092      0.65745388      1.23801997
  H     -2.51969496     -2.53825814      0.41503189
  O     -2.10482986     -2.09715776     -0.33826394
  H     -6.42190602      1.15485349      1.56970959
  H     -3.36269056     -0.69126894     -0.18138413
  O     -3.76558999      0.12471627      0.13602010
  H     -4.16176043     -0.95187109      4.06088563
  H     -3.45807983      0.84658229     -0.43560452
          69
 Energy    -248.19915360964364     
  O     17.00062632     10.60163456    -16.85041559
  H     17.39303368      9.86076336    -16.35480885
  H     18.18780622      5.68314784    -12.66148439
  O     15.47243968      5.77064406    -14.26609058
  H     16.45453048     11.07794870    -16.21209690
  H     20.83928259     10.60548541    -15.87533434
  O     17.17721679     13.62373548    -11.53935884
  H     16.05345079      5.69966562    -15.03704692
  H     22.36186140     10.32986737    -15.88759856
  O     20.18472491      8.50112941    -13.74730414
  H     16.04034704      5.61307005    -13.50194897
  H     18.64432933      8.47427846    -14.78847953
  O     16.19455573      6.93135567    -18.81212717
  H     17.49109363     13.08708314    -10.80068395
  H     17.73606455      7.60737600    -15.71555687
  O     15.54342839     10.52489876    -10.34805506
  H     16.25594932     13.36966539    -11.67777446
  H     16.04838844      8.44705255    -12.63026889
  O     15.27526656      8.47261580    -14.36147716
  H     20.75215203      9.00552795    -14.34429061
  H     16.87256622      7.43447677    -11.81003736
  O     18.07425152     12.08889599    -13.63215753
  H     19.88473504      9.08363072    -13.03743064
  H     14.73483380      8.55089228    -16.32920737
  O     19.61235864      5.79612564    -13.64081186
  H     15.67944991      6.58921719    -19.53778874
  H     15.47370412      9.47606138    -17.29645099
  O     19.98728871      5.28483750    -16.44066688
  H     15.61325853      7.53003589    -18.31000229
  H     18.48660756     11.04568372    -10.39933552
  O     17.28829413      5.95897955    -16.42069928
  H     16.34466475     10.89108381     -9.95303178
  H     18.73311108     11.59139433     -8.97469416
  O     17.38184407      5.68138384    -12.11420235
  H     15.80857795      9.68555136    -10.74587685
  H     18.05588841      9.45479470    -11.87662663
  O     21.51442931      9.91367243    -15.75533510
  H     15.10524642      7.52035593    -14.28655694
  H     18.58641435     10.76795271    -12.53655435
  O     17.83176943      8.47844810    -15.30624035
  H     16.19670059      8.53681063    -14.66717312
  H     13.75023640     12.71819598    -11.80310401
  O     16.58905623      8.35788556    -11.83605308
  H     17.88040074     12.76879667    -12.97087500
  H     14.86296482     11.70305958    -11.44654498
  O     14.86063018      8.73065964    -17.26678301
  H     17.22059285     11.78211994    -13.96673295
  H     20.92729753      8.46610203    -16.88046225
  O     18.10980867     11.60075341     -9.69654330
  H     19.93048949      6.70989131    -13.60643794
  H     19.81775647      8.13947459    -17.90807977
  O     18.80496144     10.06845276    -11.90119544
  H     19.77674661      5.49932319    -14.54252328
  H     15.28112324     10.34771175    -14.40349274
  O     14.60386578     12.39576224    -12.08057577
  H     20.55372753      4.64807162    -16.86692949
  H     15.11781315     11.73741515    -13.74424399
  O     20.52598561      7.74614886    -17.37820757
  H     20.24075877      6.16214659    -16.78413158
  H     19.15017857     11.97302032    -15.11522733
  O     15.52966781     11.27786762    -14.48856328
  H     18.17837936      5.59252488    -16.50416879
  H     18.76632540     11.50526291    -16.51811855
  O     19.52697489     11.73128275    -15.97366975
  H     16.95928532      6.16081809    -17.30585303
  H     17.66302665      8.17612992    -18.91062735
  O     18.34960112      8.83754724    -18.75854576
  H     17.48598573      4.98040023    -11.47621043
  H     17.90354668      9.58399262    -18.34548522
          69
 Energy    -248.19901717902729     
  O     14.66146731      6.55686578     -8.39071592
  H     14.01666014      5.98949747     -8.82973394
  H     16.19569930     10.45891804    -12.82896125
  O     15.15309191      6.22969219    -16.18525610
  H     15.52335524      6.31068339     -8.75359031
  H     13.69725275      8.37855749    -11.92304419
  O     18.13953994      8.11814533    -14.13051105
  H     14.87590555      5.68441635    -16.91692457
  H     15.09575409      8.57552047    -12.57556843
  O     15.27493355     11.80470069    -13.49116540
  H     14.34309716      6.57056368    -15.76607720
  H     13.72383654      5.01537616    -10.74557205
  O     10.72396209      6.32185295    -13.77424053
  H     17.71379373      7.25141356    -14.05105923
  H     12.82612248      3.99677985    -10.00767830
  O     18.82112546      5.44813295    -11.85598507
  H     18.97217541      8.06672496    -13.64598406
  H     21.30144359      7.88721745    -12.61169821
  O     17.03070322      9.04986355     -9.86619365
  H     15.19208908     11.64269609    -14.44030197
  H     20.19817477      8.25091595    -11.59078800
  O     12.54880802     11.33296762    -12.62770060
  H     14.38108475     11.75230732    -13.13189153
  H     15.78204355      5.69593126    -11.10040269
  O     14.95473407     11.02744260    -16.20863011
  H     10.84541416      6.50602636    -12.82707754
  H     14.77508782      6.37925198    -12.06265320
  O     12.54921862     10.08964093    -15.03769336
  H      9.78174409      6.30197932    -13.91794105
  H     17.15857392      8.64785659    -15.62970276
  O     13.03156452      7.29668997    -14.86703937
  H     18.28613212      5.33496723    -12.65078786
  H     16.01744003      7.92233954    -16.36316120
  O     16.53892603      9.63182204    -12.46062980
  H     19.44113759      6.16005134    -12.05532195
  H     16.31753808      5.71813693    -14.77871823
  O     14.32043029      7.99955820    -12.55610227
  H     16.22240864      9.22985043     -9.37437393
  H     16.21409523      5.48111625    -13.25631845
  O     13.02261257      4.92784506    -10.07789187
  H     16.86292757      9.31147095    -10.78624610
  H     18.82938229      9.07108809     -9.89983377
  O     20.36737965      7.80384808    -12.43784382
  H     12.48105913     10.85922206    -13.47721823
  H     20.16809430      8.93905776     -9.15924839
  O     15.10678521      5.51494862    -11.77091156
  H     11.90664391     12.03787610    -12.65911176
  H     11.58188424      7.72447481    -10.91737891
  O     16.45483571      8.77778026    -16.27847966
  H     15.50625321     10.22618680    -16.25605924
  H     11.75193988      6.20286187    -10.70195490
  O     16.84406335      5.63757961    -13.97363489
  H     15.12495032     11.52327892    -17.00485887
  H     17.09393226      7.18751347     -9.90167769
  O     19.78474740      8.96538623    -10.03266649
  H     12.60887524      9.12732905    -15.08037533
  H     17.74312898      5.89011316    -10.46059349
  O     11.19764336      6.86489505    -11.13224731
  H     13.31059141     10.42387248    -15.52939346
  H     14.33497327      9.63082630     -7.72199582
  O     17.03123247      6.22269644     -9.89461821
  H     12.19747638      6.89829365    -14.57831299
  H     14.49850036      8.28163976     -8.46223731
  O     14.49259185      9.24952680     -8.58207714
  H     13.50653011      7.56328096    -14.06442260
  H     12.60931821     10.05892896    -11.27781380
  O     12.65178686      9.25572766    -10.74093526
  H     17.13128858      9.21218446    -13.09743671
  H     13.25508114      9.40054455    -10.00141471
          69
 Energy    -248.19901534635767     
  O     16.99894795     12.96901602    -15.88519494
  H     17.12525299     13.76531236    -16.39448084
  H     15.17761078      4.98940048    -16.18907003
  O     15.49147437      7.31238832    -13.44234464
  H     16.05399619     12.93761359    -15.65173983
  H     16.61078656      8.87981490    -17.29526705
  O     18.28394053     12.31481676    -13.42533446
  H     15.04463200      7.35281891    -12.58929191
  H     17.07284623      7.46037357    -17.64694757
  O     18.71546766      6.76252267    -17.28130873
  H     15.55033378      8.22549492    -13.76956243
  H     14.81511446     10.02714511    -15.02374583
  O     14.19327945      9.39943763    -18.75945576
  H     17.50651844     12.11072205    -12.88723225
  H     16.34646727      9.93376097    -15.12802158
  O     16.40261169      9.33801066    -10.54493377
  H     17.93380798     12.63767827    -14.26340095
  H     12.45953965      9.02435548    -13.49757329
  O     12.22821721      8.06608977    -15.17618288
  H     19.12847739      7.43412409    -16.72417482
  H     13.13138565      9.01151844    -12.10772550
  O     13.22241442     12.24646459    -12.68645435
  H     18.66063917      5.96646569    -16.73918352
  H     18.71245796      7.79561371    -12.22324409
  O     18.26118406      4.54882505    -15.49539531
  H     14.93906393      8.83509178    -18.49961745
  H     19.35846733      9.17925864    -12.04724948
  O     14.21361651      7.88981701    -11.03112910
  H     14.38276396      9.69260443    -19.64733137
  H     13.67935100     10.10235063    -17.18136483
  O     14.52478073      6.66772718    -15.90305564
  H     16.25977250     10.16381560    -11.02562286
  H     12.86366189      9.67421434    -15.93814680
  O     15.67056821      4.16323753    -16.30949576
  H     17.27615175      9.01960080    -10.81421051
  H     19.81699300      9.32720107    -14.61855900
  O     16.28728261      8.02345093    -17.61390330
  H     11.43302144      7.60297772    -15.42877208
  H     18.94247975      8.06087518    -14.72451372
  O     15.60795280      9.80439981    -14.51962850
  H     12.97384542      7.52235445    -15.47835044
  H     18.26301323      5.93202610    -14.22783504
  O     12.64614594      9.57172046    -12.72705384
  H     12.53610066     12.69515861    -12.20011131
  H     17.23471623      6.88778452    -13.57002355
  O     18.84220832      8.50875584    -11.58543133
  H     12.97397337     11.30513082    -12.71296273
  H     21.04124476     10.88048384    -12.91945557
  O     13.44933270     10.36089446    -16.27699554
  H     17.34936643      4.35405309    -15.77042183
  H     19.56165443     11.15844767    -13.27409048
  O     19.37741537      8.74657642    -15.25302425
  H     18.71372080      3.71194386    -15.42741326
  H     18.23542801      9.86447668    -16.10414767
  O     18.18125148      6.74336056    -13.71351550
  H     15.00359925      8.40729150    -10.78234056
  H     17.44800259     11.21355004    -16.37427108
  O     20.23773782     10.45971738    -13.21286419
  H     13.94793052      7.40361990    -10.25617292
  H     15.02821800     11.88909311    -12.24721437
  O     17.45336625     10.25988512    -16.51802881
  H     15.10063723      7.16124997    -16.50499184
  H     15.83279802     10.86450964    -13.05675645
  O     15.89029769     11.46106134    -12.29418943
  H     14.86765179      6.79723184    -15.00390053
  H     13.94024689     12.06348402    -15.75501976
  O     14.33729835     12.81046978    -15.28548507
  H     15.22316893      3.68952770    -17.00658505
  H     13.97266487     12.76422032    -14.39397168
          69
 Energy    -248.19896146696246     
  O     -1.72523985      5.44451926      1.35084623
  H     -0.87197364      5.78025576      1.04968576
  H      4.83968426      0.71793181      1.20928421
  O      1.05423560     -2.38900845      4.11087281
  H     -1.61553275      5.28169216      2.29638896
  H      3.37987784      0.28244128     -2.19345500
  O     -1.49484230      2.80007701      0.57883401
  H      0.81090440     -2.83339353      3.27824763
  H      4.16464566     -1.01747364     -1.89241639
  O      0.84391192      3.66577142     -0.76306974
  H      1.09561152     -3.06368082      4.78256283
  H     -0.54878466      1.23570138      3.24558309
  O      1.03039036      6.08450233      0.68929096
  H     -1.77146704      3.71693356      0.71212742
  H      0.63058151      2.21986843      2.90222491
  O      1.91775175     -2.73992035     -0.46355534
  H     -1.09359867      2.52725523      1.41787240
  H      1.44316610     -1.11650983      0.22116622
  O      1.59216690     -2.09293425     -3.19503307
  H      0.98757071      4.53169989     -0.36353450
  H      0.31699651     -0.05616293      0.38529808
  O      4.26702286      2.46808207      0.64622931
  H      0.01383256      3.34243846     -0.38918280
  H     -1.01174034      0.20374253     -1.19825506
  O      0.26484355     -3.42405337      1.73236657
  H      1.36937765      6.96904130      0.58144570
  H     -1.57234609      1.13239093     -0.06944244
  O      1.61776624      5.14067738      3.17534160
  H      1.30433843      5.78497487      1.57410376
  H      2.03510921      0.91394249     -0.56457465
  O     -2.08782270     -1.86008849      1.30012224
  H      2.87795373     -2.64540279     -0.39776805
  H      1.88161424      2.36759728     -1.12125845
  O      4.87150378     -0.21045541      1.46682493
  H      1.69746758     -2.65604133     -1.40028655
  H      2.04574142     -0.24713752      2.18124391
  O      3.72249397     -0.52612085     -2.59685621
  H      2.39230013     -1.54455346     -3.09634924
  H      2.15722189     -1.01843030      3.51724447
  O     -0.32723608      2.14549126      2.99805018
  H      1.66414493     -2.54282365     -4.03250076
  H      5.44217998     -2.67010185     -0.40316226
  O      1.24768468     -0.23508513      0.56855470
  H      4.78156554      3.20160301      0.31792614
  H      4.78590952     -1.44462499      0.27481957
  O     -1.39305375      0.21170203     -0.30800341
  H      3.67396260      2.19768125     -0.07249892
  H      3.06470551      2.55849674      2.11456617
  O      2.40451245      1.55059038     -1.19641958
  H      0.83089029     -3.33767970      0.95501662
  H      2.57412257      1.52571706      3.14307642
  O      2.55379395     -0.30381256      3.00687878
  H     -0.56441353     -2.97646931      1.51942791
  H     -0.32317841     -1.06596632      3.87613037
  O      4.66652708     -2.11594455     -0.42087025
  H      0.75401727      5.06605886      3.60105228
  H     -1.45612481     -0.91691712      2.84933580
  O      2.47746599      2.44988407      2.87277528
  H      1.99774635      4.25263920      3.18673148
  H     -0.87105419      3.67085717      3.73781719
  O     -0.98640202     -0.44716274      3.54880751
  H     -2.99370796     -2.12964118      1.17141018
  H     -1.52942646      4.52334259      4.84613943
  O     -1.04908304      4.58338617      4.02459330
  H     -1.91919182     -1.13867500      0.66960894
  H      0.47233500     -0.58699015     -2.89923756
  O      0.06684227      0.24588989     -2.62667763
  H      4.16644348     -0.32390601      2.11975729
  H      0.79970782      0.83194004     -2.41519061
          69
 Energy    -248.19878909444699     
  O     14.13654395     11.87879208    -12.62651620
  H     14.87803605     11.75446176    -13.23747830
  H     18.19332299     10.95827633    -11.52783371
  O     15.86623813      6.53867412    -14.93406167
  H     14.47878646     11.67565488    -11.74947784
  H     15.99913437      7.93755481    -13.77643908
  O     14.74448258      5.93528570    -10.47538759
  H     14.90395813      6.60165601    -15.00350124
  H     16.94680839      8.41345653    -12.64025297
  O     15.76034330     10.17028363    -16.92819723
  H     16.04663141      5.89674827    -14.23302831
  H     12.80763613     11.18686686    -13.46950991
  O     10.45301742      6.30621095    -11.71478406
  H     14.56502802      6.87847589    -10.59718417
  H     11.44488448     11.42379457    -14.16234508
  O     13.08454875      6.71524286    -14.72057921
  H     13.90407914      5.46269577    -10.52109980
  H     14.39254382      4.23398403    -13.33926745
  O     14.32531544      8.59850091    -11.04555437
  H     15.63154208     10.56298427    -17.78718506
  H     13.02211130      4.22575352    -12.64533269
  O     19.67739164      8.87866693    -14.31787203
  H     14.90140959      9.79669755    -16.65969562
  H     12.94461425      9.77760257    -15.38714407
  O     18.55181371      7.96894144    -11.92820573
  H      9.68075014      6.25088730    -12.27226825
  H     13.23296875      8.30489635    -15.74728779
  O     17.72519340      8.26498588    -16.10489427
  H     10.95429232      7.07770576    -12.02664980
  H     16.23618484      5.62766030     -9.52559548
  O     18.64065167      5.17773207    -11.38586417
  H     13.09966006      5.79942696    -14.40588246
  H     17.16164340      6.02222563     -8.36074758
  O     17.84621886     10.47029591    -10.76634522
  H     12.74073023      7.24307230    -13.98798931
  H     15.62924198      5.29379371    -11.98321445
  O     16.10685769      8.59955657    -13.08247137
  H     14.52892580      9.40663173    -10.56060576
  H     17.04286224      4.84902641    -12.39427084
  O     12.09623110     10.75328869    -13.97558754
  H     14.92382322      8.59735175    -11.81126128
  H     11.62183739      5.15118958    -11.12059045
  O     13.44312318      4.24266834    -13.51293478
  H     20.51591772      8.79851786    -14.76460848
  H     11.93731841      3.85748749    -10.33299088
  O     13.39006129      9.21381310    -16.03124793
  H     18.99157819      8.67237034    -14.97801998
  H     17.89419953     11.48842735    -13.65445807
  O     17.12016351      5.48610719     -9.14892345
  H     18.66877841      7.02395601    -11.78179128
  H     19.17931892     10.65619557    -13.61182144
  O     16.13235546      4.89313677    -12.70688010
  H     19.05704653      8.21575133    -12.71673414
  H     11.95867877      9.17078696    -13.06804629
  O     12.33667006      4.54486037    -10.85997551
  H     17.13706284      8.93559772    -16.47218178
  H     12.81038443      8.44068917    -11.99681546
  O     18.75500100     11.42648132    -13.21706446
  H     17.14529124      7.54777368    -15.81391739
  H     15.29301110     11.60275766     -9.33584585
  O     12.07240353      8.32700852    -12.61269792
  H     18.17155585      5.24578956    -10.53496196
  H     16.21678408     10.85804068    -10.32604207
  O     15.28481014     11.04401037    -10.10794661
  H     19.36227550      4.56807788    -11.25583090
  H     16.17127614     10.23480326    -13.87110922
  O     16.19119054     11.10216351    -14.30516025
  H     18.13485133      9.56250536    -10.91458196
  H     16.07903435     10.93334178    -15.24756778
          69
 Energy    -248.19877649333498     
  O     16.70942426     12.28811979    -17.13480873
  H     16.81732301     12.94854099    -17.81409084
  H     16.68437557      6.60851727    -18.06903414
  O     15.56555075      7.46851273    -13.05811687
  H     15.78256559     12.33769183    -16.83868197
  H     14.54234365      9.52517629    -15.41062953
  O     17.56622905     12.51662111    -14.41834970
  H     15.15643870      7.72193086    -12.22297205
  H     16.08481408      9.46286230    -15.57868297
  O     19.66190866      6.36425953    -16.55692389
  H     15.44716229      8.20878122    -13.67458461
  H     12.47114564      9.65988187    -12.98108343
  O     13.39775536      7.57930633    -18.02015836
  H     16.73361935     12.40566456    -13.94469477
  H     13.33764872      9.66456328    -11.71311186
  O     16.30512513     10.52324270    -10.98250632
  H     17.34059215     12.52572319    -15.35661933
  H     18.79576293      8.83052242    -12.05472530
  O     11.68238082      8.46988132    -14.26710863
  H     19.70585633      7.25483088    -16.18871683
  H     19.29113472     10.26129476    -12.33617809
  O     18.27934821      4.87072923    -14.53977625
  H     19.29307069      5.80363382    -15.86248917
  H     13.06656608      9.12962568    -17.03085093
  O     14.51276259      8.55188868    -10.69662966
  H     14.35390324      7.41424512    -17.93962026
  H     12.40246674      9.46275952    -15.66792844
  O     18.09285278      5.76447675    -18.71225779
  H     13.14749916      7.32955367    -18.90563242
  H     19.66992837      9.69881057    -14.83201152
  O     15.70900878      5.69192988    -15.17074193
  H     16.00209014     11.06494231    -11.71752775
  H     18.96734853      8.36203154    -14.50257397
  O     16.04439307      7.15891564    -17.59399909
  H     17.22551059     10.28345160    -11.16797133
  H     18.47356727      6.43760240    -13.46187222
  O     15.37262766      9.42028161    -14.92856458
  H     10.76748406      8.24412735    -14.11652156
  H     17.37642316      7.42094905    -13.01022933
  O     12.91547505     10.24656105    -12.35797208
  H     12.11726436      7.66130335    -14.58996208
  H     20.59423544     11.90984929    -13.76082523
  O     18.85141886      9.71591861    -11.67361794
  H     17.35772102      5.04228052    -14.79600692
  H     19.07797924     11.75149711    -14.02850171
  O     12.98358215      9.81544678    -16.35551866
  H     18.33752473      3.94251696    -14.32830884
  H     18.06541138      9.37275379    -16.39956242
  O     19.33289310      8.88646637    -15.23016501
  H     15.18922087      9.25596591    -10.70504171
  H     17.18970685     10.48453179    -17.09335455
  O     18.33296807      7.33291252    -13.13334868
  H     14.40490886      8.28369452     -9.78876280
  H     14.22571503     11.38310856    -12.93819662
  O     19.90206586     11.26141423    -13.85734194
  H     18.72585805      5.97409035    -18.00345639
  H     15.30519839     10.90773015    -13.91047565
  O     17.26857797      9.53757045    -16.92555946
  H     18.61221855      5.44597282    -19.44480850
  H     13.66742949     11.56153408    -16.27833605
  O     15.04451712     11.67073363    -13.36996573
  H     15.83781957      6.23100788    -15.96403357
  H     14.33603919     12.33639433    -15.12842835
  O     14.20706729     12.34009117    -16.08416094
  H     15.62702635      6.28734432    -14.40884502
  H     13.74908147      5.93777484    -15.29772984
  O     12.89763238      6.34840114    -15.48390172
  H     16.47627537      8.00940235    -17.43156078
  H     12.95741710      6.65954183    -16.39618216
          69
 Energy    -248.19839801051910     
  O     -9.10777231     -2.90973299      4.33874299
  H     -8.48358004     -2.93798275      5.07685396
  H     -3.96224757      0.44221642      3.15682035
  O     -8.57738577     -1.91284924      0.86985486
  H     -9.46760508     -2.01811108      4.32619972
  H     -7.99342600     -0.27603503      3.42771664
  O     -8.12250444     -4.29510801      2.19537483
  H     -8.55198227     -2.83360886      1.15197629
  H     -6.62685499     -1.02860647      3.37047748
  O     -4.18050156      0.99223621      1.42793992
  H     -8.05587328     -1.42390702      1.52651368
  H     -6.62339134     -3.48498237      6.84906980
  O     -7.94365718     -0.17787961      6.54312258
  H     -8.44943067     -5.19025624      2.21968990
  H     -6.36314434     -2.61983032      5.59053688
  O     -4.50922095      4.91504054      3.90850807
  H     -8.49167968     -3.84111726      2.97420557
  H     -0.99892528      1.89421404      5.42983091
  O     -8.90400559      1.82114257     -0.15148901
  H     -4.27480503      0.20441842      0.87927145
  H     -2.44340562      2.45064603      5.49017121
  O     -5.35109724     -2.08984493      4.28997773
  H     -5.04706594      1.42603301      1.41449720
  H     -8.67514916      3.14830006      4.14888258
  O     -2.84196877      3.20962876      2.59433707
  H     -7.59447539     -1.07314671      6.62418891
  H    -10.05830104      3.50629841      4.71561345
  O    -10.33203874      0.15683044      1.49522346
  H     -7.19139620      0.39844560      6.34817422
  H     -5.31211490     -2.67096458      1.15812813
  O     -4.87742577     -1.26874333     -0.14151004
  H     -4.29004810      5.81740597      3.69219700
  H     -6.29080841     -3.67845774      1.83749625
  O     -3.86187936      0.19692231      4.08754076
  H     -3.92392804      4.34872337      3.37406700
  H     -7.76062835      0.40382355     -0.95309637
  O     -7.23533955     -0.48135790      2.86214578
  H     -9.46874546      2.43728954     -0.60990368
  H     -7.80860878     -1.06775732     -0.53967951
  O     -7.02841342     -2.85107922      6.26388237
  H     -9.48036515      1.29642010      0.43183082
  H     -9.05490278     -0.03961386      5.20373263
  O     -1.82326983      1.92512836      4.95286164
  H     -5.25108895     -2.59858937      3.47034391
  H     -9.64352452      1.04707621      4.28760585
  O     -9.58963670      2.83473281      4.22548848
  H     -4.70318704     -1.37245686      4.28494588
  H     -4.02662731      4.01015208      5.55076558
  O     -5.39888461     -3.31204870      1.87369025
  H     -2.34123360      2.78730309      3.30361791
  H     -4.51972268      2.72643130      6.23889838
  O     -7.29858267     -0.43314460     -1.06587892
  H     -3.19862716      2.49151568      2.05605453
  H     -6.28402019      2.13860525      5.06737576
  O     -9.51117707      0.08920809      4.35497407
  H     -9.91542691     -0.66983794      1.21094796
  H     -5.21932517      1.01069463      5.09781949
  O     -3.77613300      3.34298060      6.20204118
  H    -10.26883138      0.15814736      2.45528962
  H     -7.46148042      2.00497227      0.96485666
  O     -5.85723566      1.48954506      5.64368881
  H     -4.36429233     -1.59346404     -0.87813091
  H     -6.91067954      1.03713879      2.04747305
  O     -6.76488833      1.89918555      1.62373090
  H     -5.71024001     -0.93032753     -0.51467902
  H     -6.83883779      2.95932916      3.03716979
  O     -6.89482764      3.43152275      3.88263452
  H     -3.08036950      0.65667523      4.41657626
  H     -6.15359357      4.04852411      3.90654649
          69
 Energy    -248.19831441875039     
  O     -2.86614308      0.16716409     -0.52374262
  H     -3.43415734     -0.57409094     -0.76038727
  H     -0.85883401     -4.68611203     -1.04326293
  O     -3.14667388     -0.14360730      6.89659787
  H     -3.05096907      0.34614580      0.40917472
  H     -1.34200886     -6.32057201      0.64477783
  O      1.34226860     -0.24273025      1.06805157
  H     -3.29368785      0.14924557      7.79193499
  H     -2.10366430     -7.59267634      1.09247100
  O     -3.37179858      0.10504724      2.22643565
  H     -3.58754460     -1.00849914      6.80612588
  H      2.43112862     -2.28873384      3.33623134
  O      1.47893329     -2.54742206      4.78626647
  H      0.70164032     -0.02602021      1.76069404
  H      3.83835972     -2.04916689      2.74498876
  O     -4.28676328     -2.54870962      6.36386168
  H      1.96105400     -0.85783726      1.47805251
  H     -0.81085468     -1.80451713      2.22441097
  O     -0.94005181     -1.24309015      5.52084199
  H     -3.81614812      0.45452736      3.01232821
  H     -0.86095293     -2.14778764      0.73311355
  O      0.40055119     -5.10723515      5.49985571
  H     -3.71191958     -0.78963931      2.09972540
  H     -2.05704813     -3.74104405      2.18501657
  O     -5.97675143     -1.91828353      4.13261287
  H      1.21447556     -3.43611625      5.05277878
  H     -2.51270471     -5.23073678      2.19160863
  O     -0.47688080     -1.14618356     -0.77661526
  H      0.78710931     -1.96377564      5.12046671
  H      0.51229020     -3.60330298      1.46089733
  O      0.50028295     -6.18450597      3.03762729
  H     -3.56679590     -3.10139012      6.02914859
  H      2.03743460     -3.58932108      1.58517003
  O     -0.45414296     -5.39020613     -0.52499560
  H     -4.90808337     -2.43765806      5.63387696
  H     -3.99214919     -3.19609752      2.10817343
  O     -1.79254702     -6.74515621      1.39772694
  H     -1.34360545     -2.11155930      5.37686015
  H     -4.52298985     -2.46901876      0.85129770
  O      2.92818020     -2.19841835      2.50321924
  H     -1.56989659     -0.74416436      6.05442783
  H     -1.62257416      0.05885110      2.72120625
  O     -0.94116639     -2.54044318      1.61139726
  H      0.45007087     -5.55261633      4.63447381
  H     -0.75536925     -0.41629388      3.91966167
  O     -2.71587243     -4.35780248      2.54674466
  H      0.75957038     -5.71137767      6.14386541
  H     -1.39472684     -3.27941482     -2.95316521
  O      1.30191449     -4.14057206      1.29431750
  H     -5.55760786     -2.12714549      3.28231652
  H     -1.12457326     -2.47250846     -1.66235056
  O     -4.56637207     -2.47257252      1.81453709
  H     -6.91066810     -2.08101440      4.02270978
  H     -5.22879248     -0.15867961      4.51236736
  O     -0.71698877     -0.14951654      2.99178188
  H      0.25373820     -0.77888423     -0.25779758
  H     -4.13891191      0.50720786      5.37128450
  O     -1.62814621     -3.22234481     -2.02937132
  H     -1.22988351     -0.53682515     -0.72280501
  H     -2.33071317     -4.04371122      4.29571882
  O     -4.67624217      0.63014008      4.57934976
  H     -0.27403482     -6.51650639      2.57027261
  H     -1.27099188     -4.30905239      5.39799831
  O     -2.06452108     -3.79883725      5.19242779
  H      0.90376031     -5.53383042      2.44617719
  H     -3.30745052     -2.78365366     -1.34885475
  O     -4.14156927     -2.42911408     -1.00494722
  H      0.29505151     -4.99566191     -0.05721376
  H     -4.79665975     -2.57387753     -1.68486439
          69
 Energy    -248.19828503743986     
  O     -2.98488793      1.84303740      3.10747324
  H     -3.52897926      1.32473440      3.69457173
  H      3.17237275      3.34627026      1.45773769
  O     -4.39600236      3.96387757     -3.46988001
  H     -2.06236942      1.58863680      3.28702911
  H     -0.90702627      6.84759754     -0.75120951
  O     -1.95564932      4.91903906     -4.73392207
  H     -5.29224484      4.24867616     -3.62927192
  H     -1.74738173      7.05064943      0.52601897
  O     -3.46923922      6.48322457      1.16885629
  H     -4.16212953      4.26507860     -2.57603230
  H     -1.37565279      5.62188292     -3.17310757
  O     -2.69684947      0.11167468     -1.29098029
  H     -2.83803372      4.64186423     -4.45905149
  H     -1.95708628      5.34963426     -1.77349572
  O      0.96397783      1.83631073     -3.02399133
  H     -1.48895754      4.10428445     -4.96121289
  H      2.28489841      3.07576193      5.01966369
  O      1.30513221      6.87877560      1.67736981
  H     -3.26989977      5.85471445      1.88603633
  H      2.35090824      2.83102974      3.49526207
  O     -0.38460293      1.16451219      3.54649955
  H     -4.09339850      7.11267999      1.51995765
  H     -0.35688682      3.77754623      1.45800424
  O     -3.04518185      1.47619663     -3.79216664
  H     -1.72290027      0.04251588     -1.28356295
  H     -1.33457982      2.95264763      0.55163566
  O      1.09790455      0.96827975      1.16994216
  H     -3.03510190     -0.77939444     -1.27880632
  H     -3.61641468      5.34821716     -0.28057274
  O     -0.03575009      0.00485997     -1.23781951
  H      1.05653818      2.67728870     -2.55748324
  H     -3.41153089      3.82751871     -0.51038066
  O      3.34820605      2.56177968      2.01009249
  H      0.41947207      2.01993699     -3.79850105
  H     -2.95840517      3.77513721      3.16385955
  O     -0.87672296      7.21074219      0.14447875
  H      0.54472812      7.03237469      1.08599557
  H     -1.82284519      4.81471460      3.17687615
  O     -1.22381253      5.78186969     -2.23091327
  H      1.64695097      7.73733250      1.91073539
  H     -3.12947203      2.06617066      1.27520663
  O      1.74750642      3.01631072      4.23358235
  H      0.24499539      1.75350447      3.97553161
  H     -2.96559217      1.50895157     -0.18441450
  O     -0.41377321      3.21120398      0.67881944
  H      0.06639298      0.88260819      2.73855710
  H      0.59202446      4.26159881      3.48731990
  O     -3.53283184      4.67373189     -0.96572608
  H     -3.59458863      2.25712928     -3.64872477
  H      0.46569310      5.55654922      2.62417085
  O     -2.78359171      4.71993464      3.09840780
  H     -2.96237891      1.02665615     -2.94339265
  H      2.30126866      4.57082138     -0.29458361
  O     -3.03478665      2.31451583      0.34691155
  H      1.96632301      1.32750177      1.37876979
  H      2.39419336      5.51410568      0.91517355
  O     -0.02589783      4.80733741      2.98615515
  H      0.55255523      1.73906707      0.94047074
  H      0.48653803      3.80833548     -0.73333755
  O      2.79780821      4.73270979      0.52031715
  H      0.44537831      0.15944825     -0.41732226
  H      0.32005911      4.81864323     -1.87344635
  O      0.95440204      4.20271916     -1.48611776
  H      0.35849521      0.59023753     -1.90339602
  H     -1.63140442      1.94678534     -4.70341076
  O     -0.86106540      2.31719243     -5.17088968
  H      4.25216318      2.30881892      1.84331949
  H     -0.79769131      1.85464003     -6.00260763
          69
 Energy    -248.19827820566016     
  O     10.25734034     12.54414201    -11.94542921
  H     10.38291629     12.37689744    -12.88692097
  H     12.64309039     12.67461126    -13.95832300
  O     14.45990756      9.10617987    -17.76707043
  H      9.94566417     11.72414815    -11.54698691
  H     14.86032622     10.00958749    -11.23850754
  O     11.38715909      8.85830277    -12.12784689
  H     13.49617803      9.24861782    -17.77868650
  H     16.38228019     10.21338516    -11.23159342
  O     14.64000118      9.00217327    -14.94900879
  H     14.66810423      8.55667202    -18.51730688
  H     14.83190174      7.88989866    -13.47467753
  O     14.71932001     11.87478760    -17.06248781
  H     11.76434532      8.06258456    -11.73077025
  H     15.35209801      8.11921871    -12.04164071
  O     11.87397908      9.40257344    -14.75279847
  H     10.65758781      9.16871518    -11.57656690
  H     13.02847423     14.93013576    -11.51079935
  O     13.73862036      8.53332157     -9.12695199
  H     15.07022086      9.84242120    -14.73425147
  H     13.61035576     16.14087816    -12.28612648
  O     13.33118379     10.84337784    -11.58429020
  H     14.68836755      8.90125476    -15.90760455
  H     13.57891869      6.88464552    -11.68927433
  O     11.53261656     10.16894328     -8.62780485
  H     14.75938852     10.97273558    -17.40452728
  H     12.72173885      5.74070151    -11.09037553
  O     15.62607322     13.55953936    -10.79035093
  H     15.19995560     11.85636867    -16.22570782
  H     16.71163522     12.42848739    -11.58352896
  O      9.55737098     10.11958400    -10.48532611
  H     11.59255414      9.10496787    -13.87715283
  H     18.16367864     12.00118602    -11.89804449
  O     13.50653044     12.80659428    -13.54493061
  H     12.83202473      9.27394584    -14.78982066
  H     11.31329993     11.11992501    -14.67572822
  O     15.69289021      9.60647453    -10.94195745
  H     13.41159725      7.80483030     -9.67047776
  H     11.27858996     12.37059663    -15.57387864
  O     14.91084833      7.47175741    -12.60744067
  H     14.53318898      8.84280463     -9.57887827
  H     13.46880816     11.64177736    -10.01469743
  O     13.72471455     15.20720167    -12.13615518
  H     12.64434858     10.19889178    -11.79128878
  H     14.12738793     11.60062196     -8.61473199
  O     12.81870507      6.68846015    -11.10959071
  H     13.33741557     11.52702875    -12.26607919
  H     16.36670570     11.55775103    -13.69786487
  O     17.25278857     11.74446431    -12.01660241
  H     11.96319849     11.02746019     -8.60654338
  H     14.95404139     12.00971405    -14.13265425
  O     11.10440109     12.06663733    -14.67372024
  H     12.25461800      9.53184562     -8.74297628
  H     13.03695312     12.40515344    -17.17512520
  O     13.61033797     12.15494827     -9.19791266
  H     15.11243393     14.22046874    -11.27105120
  H     11.99040382     13.25596192    -17.92985027
  O     15.73355283     11.50875317    -14.42215559
  H     15.01356768     13.17186393    -10.15597788
  H     12.38828205     13.56097608     -9.85562946
  O     12.08279203     12.57799903    -17.26576135
  H      8.70090720      9.99008084    -10.08725989
  H     11.29337781     13.61721447    -10.95498352
  O     11.92492609     14.15680981    -10.45267185
  H     10.20742720     10.13616075     -9.75978501
  H     11.76513263     10.67708488    -17.57645519
  O     11.81866450      9.71442201    -17.53744448
  H     13.53903465     13.69034584    -13.15949141
  H     11.66524621      9.48660991    -16.60923286
          69
 Energy    -248.19807217310569     
  O     17.97929250      9.27657775    -12.96241587
  H     17.13879598      9.76086792    -12.88183551
  H     14.42658924     10.48168382    -13.98353560
  O     12.08125952     11.74767391    -11.20534210
  H     18.41532747      9.35142301    -12.10076620
  H     16.99256574      8.35747452     -6.37956613
  O     17.28432115      9.99949331    -15.63823803
  H     12.51007403     12.25884498    -11.91584951
  H     15.90088643      7.97957372     -7.40741084
  O     11.73906672      9.54214263    -12.99649490
  H     11.45073321     12.32998317    -10.79065400
  H     13.46425682     10.76785208    -10.46943610
  O     16.53359642      7.08059383    -11.83383064
  H     16.51250673      9.48694934    -15.90769860
  H     14.07777024      9.33050774    -10.30097795
  O     18.99000437      9.72673888    -10.42581059
  H     17.63121491      9.55815271    -14.85348063
  H     18.60170352      7.96523621     -9.83605529
  O     20.30420457     12.16729519    -10.96571648
  H     11.69322785     10.24589324    -12.34012722
  H     17.65450817      7.48736794     -8.73527394
  O     16.73570403     10.66693454     -9.06510204
  H     12.35549284      9.85708669    -13.67302507
  H     16.68557247     13.21077024    -13.63982202
  O     12.28199061      6.95788971    -12.54630200
  H     17.05704295      6.94145178    -11.02981756
  H     16.65832201     13.30406142    -12.06793683
  O     14.96167162      8.45943027    -16.18371144
  H     17.01455442      7.74961382    -12.33561875
  H     15.15592667     10.43045055    -11.80866281
  O     14.72612315      6.81814055    -14.03317347
  H     19.58247799     10.48378908    -10.50171392
  H     15.80499960     11.53143891    -12.69338223
  O     13.74519320     10.51260290    -14.67346519
  H     18.18909613     10.05373866     -9.98788635
  H     19.21385354     10.73106967    -13.42988932
  O     16.74486645      8.44999846     -7.29603569
  H     21.16055892     12.57442286    -10.87105831
  H     19.11366633     12.09290893    -14.11931419
  O     14.26588970     10.27761867    -10.24771299
  H     20.16016132     12.02858578    -11.91957034
  H     17.69756390     13.15320423    -16.00135359
  O     18.07633737      7.20369329     -9.55416317
  H     15.84552925     10.59809523     -9.43926213
  H     17.45743594     11.74311100    -15.41495818
  O     16.11030504     13.28929870    -12.86838937
  H     16.77292309     10.01160875     -8.35705248
  H     14.96256425      7.37239666    -10.96709454
  O     15.63056667     10.58101686    -12.63535820
  H     12.02488845      7.88339438    -12.71530714
  H     13.42096878      7.25953184    -11.14539047
  O     19.67023044     11.57542980    -13.52528425
  H     11.50060084      6.42587493    -12.66611229
  H     18.52645616     12.82966610    -10.64302500
  O     17.64141654     12.67045839    -15.18076029
  H     14.78730147      7.95305276    -16.97237911
  H     17.25591614     12.32175733     -9.94298321
  O     14.11354484      7.51419258    -10.52314792
  H     14.89617490      7.84076211    -15.43399469
  H     13.38761131     12.28279795    -13.94605837
  O     17.57870847     12.98922113    -10.56051394
  H     13.86693015      6.80003350    -13.59450400
  H     14.25259049     13.26025586    -13.12308633
  O     13.34094830     12.97417309    -13.27312337
  H     15.38405285      6.74790249    -13.33103313
  H     13.98411817      6.29111599     -7.54884040
  O     14.44388126      7.08230069     -7.81796732
  H     14.03930015      9.89285451    -15.34974878
  H     14.27179851      7.18285547     -8.76792116
          69
 Energy    -248.19801394186993     
  O     11.58150125     10.74561180    -14.44108773
  H     11.26215789     10.22872588    -13.69134750
  H     18.93706136      8.22957747    -15.04284084
  O     15.84299510      6.55124960    -13.42198947
  H     12.10050140     11.47411604    -14.07998978
  H     15.60747140     11.82102640    -16.10447524
  O     17.32497778     10.14034399    -11.35801534
  H     16.67501352      6.74715416    -12.97068614
  H     14.19222025     11.23735743    -16.29127333
  O     17.40670077     11.28929160    -16.23921784
  H     15.51585153      7.40977740    -13.73327301
  H     16.16155198      9.00491601    -14.81965723
  O     12.82994513      6.81392444    -16.29393806
  H     16.42754664     10.41701909    -11.59323773
  H     14.63305054      9.25201261    -14.98883167
  O     14.56520797      8.48681245     -8.47431735
  H     17.32920641     10.00168385    -10.40275310
  H     11.58638814      9.06331391    -11.70520454
  O     13.83358678      6.34237521    -11.57478826
  H     17.97307961     11.87311960    -16.73821263
  H     10.04152208      9.01751967    -11.75161379
  O     14.77278036     10.71591790    -12.23915997
  H     17.80521580     11.20697448    -15.35435092
  H     17.85155225      6.87162588    -10.45013749
  O     17.54865119      8.45268107    -16.07608396
  H     12.53668970      6.78295771    -15.36551144
  H     17.54565117      7.61889388     -9.14261235
  O     15.07157400      5.73274273     -9.11866830
  H     12.21236172      6.28494614    -16.79212681
  H     12.56909577      6.50693666    -12.96994103
  O     15.67675226      6.45626049    -16.27565482
  H     14.64003031      7.52761600     -8.55310501
  H     11.50464675      7.55480771    -13.32963877
  O     19.66217199      8.22662818    -14.39195969
  H     13.97953162      8.76038228     -9.19234730
  H     18.20355028     10.73926330    -12.93453999
  O     14.67003018     12.03884956    -16.03701038
  H     14.56698518      6.31270877    -12.20794933
  H     19.11865857     10.03468554    -13.95035648
  O     15.33350525      9.10470211    -14.33732880
  H     14.17823285      6.01657700    -10.73475939
  H     17.80778665      8.44937499    -11.90455838
  O     10.81938039      9.05079772    -12.30250800
  H     14.36116353     11.50737802    -12.60565597
  H     18.75894978      7.68439684    -12.85760631
  O     17.55568311      6.73919795     -9.53952206
  H     14.98223138     10.14174369    -12.99468809
  H     17.35907311      9.85875554     -7.82266164
  O     12.02156389      6.82903286    -13.69728072
  H     17.38234693      9.31883691    -16.46448267
  H     16.17576834      9.16660616     -8.53987608
  O     18.58998985     10.83061128    -13.81445032
  H     16.87833430      7.80897696    -16.35234356
  H     13.71734141      9.59744575    -11.31078397
  O     18.10821206      7.56321993    -12.15594059
  H     15.11466056      4.95177003     -8.57366432
  H     13.42100432      8.06712704    -11.14050670
  O     17.10732569      9.43407809     -8.63830049
  H     15.99059890      6.01326159     -9.28081910
  H     13.36851220     13.69284604    -13.64668430
  O     13.14549782      8.95488726    -10.86608268
  H     14.72245535      6.53859507    -16.39092260
  H     13.95470201     12.57431717    -14.54076272
  O     13.51622556     12.75215155    -13.68824956
  H     15.79863962      6.22173192    -15.34591116
  H     12.61461187      9.94248434    -15.62509582
  O     13.32119821      9.57825258    -16.18411471
  H     20.43131097      7.87990329    -14.83557364
  H     13.09197984      8.66250003    -16.37915693
          69
 Energy    -248.19794773250152     
  O     15.27283478      7.24525856    -17.29635370
  H     14.79294010      8.07699891    -17.21178029
  H     14.49704372      6.26725943    -11.23865116
  O     13.67127713      5.58781301    -12.70207803
  H     14.63761325      6.53778732    -17.13470219
  H     13.55714658      8.76717069    -13.01587374
  O     17.17601696      5.10077445    -10.50991123
  H     12.75356280      5.29311898    -12.71436986
  H     14.72961850      8.31063759    -13.94267811
  O     13.80055707      4.84611903    -16.57857693
  H     13.68837046      6.47928139    -13.08825637
  H     15.95593710     10.20135386    -14.79016508
  O     10.46243367      9.72473777    -13.12988933
  H     17.88278288      5.74860446    -10.62407383
  H     14.80103115     10.71741395    -15.64133901
  O     13.72004019      9.68519653    -16.99994689
  H     16.37173053      5.61316520    -10.35738002
  H     10.39628942      4.25260441    -12.97415291
  O     19.10723882      7.06564025    -11.29500063
  H     14.37984690      4.58667344    -15.84401225
  H     11.00902283      5.29349574    -13.94426500
  O     11.75618012      8.59388639    -15.37847502
  H     13.89422748      4.17051424    -17.24722271
  H     10.64619448      6.56974371    -11.96355187
  O     17.41322853      3.42177095    -12.63148170
  H      9.87766338     10.46517327    -12.98948838
  H     10.41599822      8.09730177    -12.05387372
  O     19.03997770      5.60482495    -13.58439833
  H     11.29564069      9.93672527    -12.67174059
  H     14.81864515      4.75431787    -13.76127110
  O     17.16787489      6.25627027    -15.56643273
  H     12.93630090      9.37360159    -16.52035847
  H     16.10274265      3.89838435    -13.85714728
  O     14.89059183      6.76270762    -10.50549262
  H     13.40078679     10.13350096    -17.78025457
  H     11.38025219      6.77713290    -15.62441306
  O     13.82170667      8.11344062    -13.67614165
  H     19.14627133      6.60280682    -12.15135985
  H     12.14784715      5.47256496    -15.95138971
  O     15.39902057     10.98158094    -14.93560847
  H     20.00749650      7.24758540    -11.03958791
  H     11.83080225      7.78529303    -10.25656192
  O     10.93060447      5.04128217    -13.00595312
  H     11.15176077      9.03202391    -14.76798263
  H     12.16958384      8.25926449     -8.82173583
  O     10.60875815      7.37935949    -11.43952899
  H     12.52943787      8.35549657    -14.83893945
  H     16.83970603      7.77769492    -14.62980202
  O     15.43625898      4.34979409    -14.38977589
  H     17.71408015      2.56827331    -12.33128031
  H     16.71845408      8.54202803    -13.26041946
  O     11.33777924      5.81471924    -15.55272641
  H     17.27984517      3.96762473    -11.83531222
  H     12.81981197      9.46892604    -10.98513685
  O     12.54756795      8.11753942     -9.68576549
  H     18.57115434      5.89544962    -14.37789826
  H     13.66086944     10.48223172    -11.84314045
  O     16.50227248      8.57305857    -14.20217596
  H     18.61665771      4.77761704    -13.32426338
  H     15.33563070     11.16275488    -13.08515031
  O     12.83051261      9.98111017    -11.80207147
  H     16.59775215      5.58849818    -15.16151222
  H     15.90266807     10.38102217    -11.86328625
  O     15.26410871     11.05474262    -12.12459877
  H     16.65132435      6.64333647    -16.28953895
  H     17.64208154      8.21672329    -11.32055721
  O     16.78616670      8.64299761    -11.45780013
  H     14.15557975      7.21647762    -10.07681135
  H     16.11767050      8.03888243    -11.10660257
          69
 Energy    -248.19746508838068     
  O     13.86095936     13.22937796    -10.71894643
  H     14.67384303     13.31229567    -10.20170216
  H     11.15164827     14.23181348    -14.97441547
  O     15.21415234     11.29966690    -18.04117162
  H     13.37026121     12.48577061    -10.34514008
  H     17.87196623     10.69194076    -12.81234265
  O     17.62491490     13.65025022    -11.68112261
  H     15.16420694     11.34021285    -18.99231099
  H     18.34758934     11.31157503    -14.14191025
  O     14.05681134      9.65370822    -16.04749940
  H     14.76276129     12.09402385    -17.70171691
  H     12.49826380     10.55610182     -8.90382464
  O     15.14751210      7.14575908    -12.28935641
  H     17.24268248     14.31627281    -12.26243156
  H     13.84251202     10.54144759     -9.66831859
  O     15.80252083      6.09292994    -14.89323567
  H     17.95057740     12.93037684    -12.23977093
  H     16.84714265     11.19111096    -16.92331262
  O     14.73818856     11.61089207    -12.85686393
  H     14.34733758     10.15252183    -16.82053910
  H     17.21814760     10.23090533    -15.78854236
  O     11.71586818      9.55735608    -12.04816640
  H     14.86803012      9.37140701    -15.60214823
  H     13.38136562      7.88110350    -15.75651630
  O     16.51686429      8.79192332    -14.95389131
  H     15.46283898      6.65138045    -13.05543086
  H     12.87216344      7.01956843    -14.57331011
  O     12.43965016     11.06489616    -14.27568179
  H     14.18409493      7.10702229    -12.34003908
  H     15.95432737     11.27730474     -9.46480932
  O     14.08477178     13.42146749    -16.81202709
  H     16.01086565      5.24974501    -15.28461156
  H     16.03485707     10.02490920    -10.36623562
  O     11.98075530     13.76332483    -14.92709100
  H     14.88998163      6.31290349    -15.15665407
  H     16.23872586     14.63332994    -14.08331348
  O     18.39495163     11.41232037    -13.18795955
  H     14.50392245     12.19444519    -12.12509641
  H     16.66128230     16.12030462    -14.01329818
  O     12.89857808     10.77002313     -9.74298026
  H     13.91998845     11.39033684    -13.32249209
  H     15.95782015      8.69729736    -12.14544649
  O     17.42083943     11.10635808    -16.15123021
  H     11.85597645     10.12875859    -12.81590730
  H     15.77510045     10.24391598    -12.42611229
  O     13.29786596      6.97285112    -15.44000575
  H     12.10611882     10.00009155    -11.28587201
  H     13.51483640     14.40040736    -12.11907984
  O     15.58839835     10.39229595     -9.59566783
  H     16.41901621      7.83353492    -15.01716835
  H     14.38568157     15.19577588    -13.11021751
  O     16.26586805     15.41662804    -13.50476018
  H     16.53914079      9.00813529    -14.01284286
  H     11.70434282      6.44598542    -12.39566831
  O     16.42303803      9.54587451    -12.23289995
  H     12.91152587     10.60379796    -14.98401019
  H     12.07721560      7.94361512    -12.48771190
  O     13.48807328     14.87765522    -12.95939476
  H     12.20904473     11.95181541    -14.57923834
  H     16.76504328     13.57602077     -8.68246335
  O     12.34573482      7.04859740    -12.76231161
  H     14.76987421     13.40131190    -16.12709786
  H     16.86356760     13.31457862    -10.20548172
  O     16.34194907     13.12007705     -9.40427451
  H     13.26492099     13.58887924    -16.33495546
  H     16.60175604     12.46755354    -15.29247686
  O     16.01011799     13.08500911    -14.84381506
  H     12.50461498     14.19382084    -14.22734511
  H     15.59472043     12.59173091    -14.12184498
          69
 Energy    -248.19703578259572     
  O     13.79518960      6.58218414    -10.15605061
  H     13.49947774      7.32632538    -10.70979597
  H     18.29344678      7.13204701    -17.06039206
  O     14.96576467      6.31903883    -16.74516436
  H     13.06564417      6.35435501     -9.58556082
  H     16.44271186     11.82999295    -13.13959903
  O     15.72739678     10.62176292    -10.02144531
  H     14.60263620      5.90598433    -15.95425805
  H     15.96750230     10.99214727    -14.34523070
  O     17.77680015     11.59875137    -11.83499077
  H     15.89878817      6.49861267    -16.56776319
  H     15.82955299      7.15219580    -12.70719434
  O     10.84863592     10.32973095    -14.67175811
  H     14.93375646     10.93262210    -10.47369909
  H     15.02427164      8.42667305    -12.40340293
  O     18.07086350      5.22787026    -12.03606736
  H     16.46211004     11.01116320    -10.50886865
  H     14.62722431      5.33322669    -13.00601659
  O     12.36386675      8.06699976    -14.44786199
  H     18.53224758     12.13956355    -11.61953853
  H     14.76044370      5.67550192    -11.49608097
  O     13.67791619     11.31389917    -11.85737499
  H     18.09853385     10.68343085    -11.91103512
  H     12.74045040      4.84010085    -14.64850020
  O     13.47549894     12.95439018    -15.02450400
  H     11.25447637     10.62564206    -15.49693647
  H     12.94512934      6.34640899    -14.38722704
  O     16.32855365      9.40509880    -15.16135457
  H     10.95981889     11.06431014    -14.05682326
  H     17.47255986      8.67436145    -12.23335315
  O     14.02295811      8.87528408    -16.56292155
  H     18.24496614      5.75930542    -11.24910609
  H     18.60821085      8.38194075    -11.23586851
  O     17.66291376      7.23768416    -16.35297342
  H     17.11156726      5.12735128    -12.08720724
  H     18.69940334      6.23205165    -13.40922373
  O     15.71560465     11.72546555    -13.76673145
  H     12.97446941      8.31829498    -15.15428391
  H     18.95168420      7.74202819    -13.45229518
  O     15.84371475      8.11279184    -12.80295397
  H     11.68031481      8.75396226    -14.44814998
  H     19.08181464      6.93247751     -9.11001144
  O     15.26171215      5.42332532    -12.28328301
  H     12.89958799     11.80770361    -12.14200507
  H     17.68073246      7.39184855     -9.58179624
  O     13.39878600      5.48819607    -14.40594255
  H     14.35674075     11.45084642    -12.53382556
  H     13.01472729     10.28232349    -16.90403697
  O     18.37094950      8.94327391    -11.98546237
  H     14.32390610     12.63781057    -14.68787418
  H     12.23524940     11.21992232    -17.85327705
  O     18.93545462      6.95603247    -14.00839099
  H     13.22058756     12.36741371    -15.74764537
  H     15.96057191      8.91919472     -9.42459429
  O     18.55726153      7.09410213     -9.88902655
  H     16.88430157      8.81215969    -15.68187833
  H     15.33109507      7.50028005     -9.42612419
  O     12.46433600     11.08306570    -16.93742202
  H     16.14078911      8.92715493    -14.33739609
  H     11.07747370     13.45332112    -12.95249693
  O     16.12373156      7.99300702     -9.19141138
  H     14.24251468      7.97038645    -16.82770562
  H     12.22164834     12.86541024    -13.81597770
  O     11.56908046     12.65454139    -13.12253490
  H     14.80605515      9.19912966    -16.09542786
  H     12.89045346      8.41288984    -12.74768282
  O     13.23769282      8.61518899    -11.86846496
  H     18.14714763      7.07412249    -15.52280490
  H     13.29717183      9.57750181    -11.79338563
          69
 Energy    -248.19703046882177     
  O     18.48688416      8.86988012     -9.95612805
  H     18.87519699      9.29622155     -9.18262510
  H     16.69542307     12.62557487     -8.34688566
  O     14.56758459      9.13263381    -11.08932745
  H     17.90356333      9.51758818    -10.36922405
  H     19.12431377      9.63998107     -7.05057870
  O     18.82633205      3.27479123    -11.78570386
  H     14.67296236      9.19852812    -10.12087183
  H     18.50398648     10.85240625     -7.82048308
  O     21.73479608      6.05432885    -11.13534143
  H     13.65246443      9.32169763    -11.27865563
  H     19.43181326      7.93138794    -12.69317274
  O     15.03812059      9.48085416     -8.47245474
  H     18.03842295      3.62026270    -12.22136129
  H     19.61687359      8.29915486    -11.20702490
  O     18.84394162      5.67413305    -14.64577375
  H     19.56932888      3.53270824    -12.34618265
  H     21.77926522      3.96215726    -13.63655070
  O     22.68658619      7.61393417     -8.98237102
  H     22.23263285      6.48373848    -10.43017976
  H     21.38632108      4.95346525    -12.52208472
  O     16.34584642      7.38851872     -7.27368117
  H     21.16928013      6.75097252    -11.51069429
  H     16.35049620      5.32962862    -12.80657544
  O     20.46760334      6.50893969     -7.55377609
  H     15.59712190     10.24150681     -8.28658485
  H     15.85628233      4.04658808    -13.50740407
  O     18.86577369      8.09444128     -6.07856761
  H     15.42744311      8.73381304     -7.99198039
  H     16.00809512     10.31869768    -11.21966327
  O     17.42857157      6.37110604     -9.66711417
  H     19.63819138      5.29169797    -14.25405085
  H     17.25030576     10.93684258    -11.94580778
  O     16.92845746     11.70705773     -8.46097426
  H     18.10333335      5.17198257    -14.28104438
  H     18.11969716      9.85918820    -13.67792258
  O     19.30189017     10.31879495     -7.71670306
  H     22.33380971      8.51045868     -9.12868128
  H     18.17616468     11.25374909    -14.33633081
  O     20.09367931      7.99778355    -11.99603028
  H     23.55613664      7.72379211     -8.60655193
  H     20.91529037     10.30531848     -8.70072493
  O     21.03397714      4.41614462    -13.25018022
  H     17.15125804      7.61413159     -6.79390550
  H     21.37132962     10.44304128    -10.17732508
  O     16.64473473      4.50816248    -13.23160357
  H     16.63255586      6.86579188     -8.03451314
  H     18.26796489      7.31512565    -14.25682131
  O     16.81245914     10.83887526    -11.08996761
  H     20.16094814      5.79564733     -8.12739356
  H     17.25591133      7.74403456    -13.16443217
  O     18.19830819     10.81055352    -13.49175273
  H     21.25334324      6.87644673     -7.97620463
  H     19.99676928     11.01954675    -12.41224596
  O     21.62385435     10.08179627     -9.31700932
  H     19.02411514      7.91871382     -5.15477800
  H     20.75511050      9.75650806    -12.06146796
  O     17.92322740      8.08357180    -13.77623559
  H     19.44466443      7.49179392     -6.58117268
  H     15.46426435      7.61458623    -11.73223833
  O     20.77576072     10.71634778    -11.93843000
  H     18.17056863      5.75400105     -9.64506709
  H     16.53405935      6.65332967    -11.15588422
  O     16.08554845      6.91863213    -11.97518905
  H     17.81069060      7.26315417     -9.68996490
  H     20.42445191      5.19377595    -10.12160645
  O     19.70117398      4.76506478     -9.64446942
  H     16.90644291     11.53153007     -9.41663889
  H     19.34718652      4.10290269    -10.25584871
          69
 Energy    -248.19702134340014     
  O      2.11900098     -1.66334285      6.73664372
  H      2.97035554     -1.92404810      6.36128676
  H      5.07184435      0.81938060      5.04682323
  O     -0.49767634      1.33336125      7.37530767
  H      2.08296628     -0.69910711      6.67667261
  H      4.43458064      2.18765243      2.78276561
  O      0.77860817     -4.26830417      1.77556072
  H     -0.80282629      0.42280387      7.53683469
  H      4.25587558      3.71347152      2.84914815
  O     -3.39056805     -1.92174806      5.79899481
  H     -0.83549541      1.86464957      8.09152142
  H      2.21608303      2.19365913      3.28090878
  O      1.71694211     -5.73089451      6.46096505
  H      0.20035812     -3.53396554      1.54530085
  H      1.48489895      0.83161679      3.12113453
  O      4.53628615     -2.08109278      5.40841393
  H      0.42450708     -4.64732265      2.59396783
  H      6.43361111      0.57778848      2.94424343
  O      3.73337832     -4.72156945      4.97857480
  H     -2.90853610     -1.59724768      5.02016985
  H      5.06109955     -0.11932031      2.86546200
  O      0.30444658     -3.53454239      7.66548759
  H     -4.30230304     -1.66563649      5.68800262
  H     -0.28858148      1.70849467      4.18265815
  O     -1.39722325     -1.19944979      7.72041083
  H      2.49292001     -5.38979423      5.98050496
  H     -1.01924994      1.52456066      5.52520492
  O     -1.96479620     -4.36593206      6.09297854
  H      1.96654933     -6.57849547      6.81942276
  H      0.46281595     -3.21720665      4.45838866
  O      4.09545683     -1.62208128      2.63342927
  H      4.80128222     -1.21391557      5.74871655
  H      1.07899194     -2.07060320      5.32182886
  O      4.89051201      0.59162869      5.96555474
  H      4.36438669     -1.94590298      4.46690774
  H      3.82981325     -4.95293753      1.52521331
  O      3.77940489      2.89796065      2.71165395
  H      4.14036285     -3.88825434      5.25036614
  H      2.51418642     -4.27730088      1.97030279
  O      1.49391299      1.65404912      3.62942586
  H      3.64288165     -4.67120351      4.01984444
  H     -0.96082224     -1.49081045      4.12850657
  O      5.50069616      0.71624330      3.09253364
  H      0.96609477     -2.84859266      7.48893005
  H     -1.62750236     -0.09565670      3.98971169
  O     -1.15118073      1.50431008      4.56970123
  H      0.73883112     -4.35677572      7.40596465
  H     -1.31190911     -1.59104531      2.08531036
  O      0.60635865     -2.26424283      4.50354345
  H     -0.87797452     -2.00218140      7.84351087
  H     -1.52504863     -1.76495274      0.56676528
  O      3.47312548     -4.31308204      2.13621592
  H     -2.13609494     -1.43765695      7.14701732
  H      0.60988323     -5.40200494      4.97109712
  O     -1.74493370     -1.03629665      3.78285472
  H     -2.57146207     -3.62240526      6.00177976
  H     -0.82726831     -4.86607188      4.82170336
  O     -0.88853503     -1.89446663      1.26541496
  H     -1.27804944     -4.07672471      6.70904674
  H      1.90651113      1.28798081      5.36252858
  O     -0.00145717     -5.01226507      4.33425977
  H      4.03944434     -2.55333348      2.38487047
  H      1.26154395      1.27176836      6.76605129
  O      2.08128819      1.08134352      6.29211405
  H      3.21215924     -1.26006581      2.46637058
  H      0.80127620     -1.03670595      1.73146390
  O      1.48931017     -0.82602334      2.37082707
  H      3.99057213      0.89144012      6.15139209
  H      1.26559206     -1.35372139      3.15611621
          69
 Energy    -248.19698305776123     
  O     -2.92376643     -4.48464753      2.82321315
  H     -2.25193036     -5.18989007      2.77683083
  H     -2.23519378     -9.23634760      0.30609295
  O      2.10280273     -4.31400695     -4.15860397
  H     -2.84396363     -4.08783501      3.68622489
  H     -3.90279780     -5.64704198     -3.06268349
  O      0.89456425     -8.18415171     -0.43858864
  H      2.32920192     -3.98155611     -3.27159713
  H     -5.12079752     -6.53323315     -2.66771640
  O     -6.73866510     -6.37645769     -1.76358763
  H      2.43279589     -3.67768603     -4.78702337
  H      4.56069177     -5.53602109      0.50446791
  O      2.39181606     -7.11212675     -3.71941846
  H      0.88413959     -7.35068354      0.05650243
  H      3.74088509     -6.40801914     -0.47458313
  O     -2.67134308     -8.87336242     -3.04293729
  H      1.80595476     -8.30648050     -0.72424883
  H     -4.42599570     -9.49246530     -0.38393901
  O     -2.89653252     -6.41934517     -0.45624559
  H     -6.47772800     -5.61233596     -1.21984547
  H     -3.94988733    -10.95412019     -0.53301167
  O     -0.50297372     -4.91155545     -3.22585120
  H     -7.60940675     -6.18777371     -2.10323172
  H     -4.27198943     -5.77161974      2.27015632
  O     -5.81835665     -4.42700796     -0.08466375
  H      2.37816434     -6.18029798     -3.96865546
  H     -4.12928717     -6.44208188      0.90057661
  O      3.57544436     -7.92717632     -1.45584135
  H      1.46595863     -7.37987536     -3.63033860
  H      0.59477867     -5.08696757      0.38286141
  O     -5.74616558     -8.40963883      0.02552321
  H     -3.26907207     -8.12213848     -3.17091390
  H      1.98617610     -5.64322475      0.79146045
  O     -1.62166160     -8.60738586      0.70735114
  H     -3.00817342     -9.35413826     -2.27883115
  H     -1.01718636     -3.62336048     -0.36053297
  O     -4.19783092     -6.56269682     -2.94712748
  H     -3.28642688     -6.61773468     -1.31659015
  H     -0.27783304     -4.24799631     -1.56637767
  O      3.72608253     -5.58797310      0.04456353
  H     -2.37715962     -7.17626561     -0.16138741
  H      1.65328977     -3.45117824     -1.19742302
  O     -3.65586820    -10.04896261     -0.59615281
  H     -0.49144805     -5.87697400     -3.14685614
  H      3.01168652     -4.16730162     -1.04052825
  O     -4.73831560     -6.34409136      1.65085303
  H      0.30328124     -4.65655506     -3.68904746
  H     -0.29546531     -6.20922141      2.13399439
  O      1.03800102     -5.76234910      0.91803676
  H     -5.62825106     -5.04497167      0.63617525
  H     -1.38156999     -7.29530170      2.10626743
  O     -0.14192414     -3.85411442     -0.69094605
  H     -5.00002339     -3.93626617     -0.19853866
  H     -2.82744401     -4.68578716     -0.20143698
  O      2.53223875     -3.53669417     -1.59043307
  H      4.17375881     -8.64381719     -1.64890853
  H     -2.92041594     -3.75686966      1.01537927
  O     -1.11658880     -6.48660268      2.56183910
  H      3.20412833     -7.63304835     -2.30891803
  H     -1.06548779     -8.13799854     -3.06753790
  O     -2.87515434     -3.74650452      0.05109931
  H     -6.17316299     -7.84068114     -0.62594844
  H      0.09006991     -7.84809936     -2.06595543
  O     -0.24186596     -7.64301934     -2.94934866
  H     -5.53806184     -7.83204980      0.77181460
  H     -2.22014653     -4.24679961     -3.14694157
  O     -3.13277955     -4.01116862     -2.92209212
  H     -0.75486215     -8.71526445      0.29413869
  H     -3.09394425     -3.63692564     -2.03724033
          69
 Ord_Energy   -248.196930    
 O   -7.01558304      -3.21685481      0.641316473    
 H   -6.14288521      -3.08400202       1.03996599    
 H   -7.54220009      -3.64919829       1.32240462    
 O  -0.878824532      -2.36790323       3.41241598    
 H   -1.43577397      -3.12729263       3.18001580    
 H  -0.390985578      -2.60572743       4.21014404    
 O   -7.06769800      0.435266674       2.88470078    
 H   -7.63942480       1.17638755       3.06591201    
 H   -7.22776604      0.172797427       1.95964444    
 O   -2.64966035      -4.36467934       2.87939286    
 H   -2.91938925      -4.99399471       2.19892645    
 H   -3.03070426      -4.66007614       3.71935511    
 O   -3.53337431     -0.914018869      0.364217579    
 H   -2.58496356     -0.882882535      0.559555411    
 H   -3.96400166      -1.48463047       1.02075148    
 O   -8.02397060      -4.29433537       3.05131865    
 H   -7.24692106      -4.88065338       3.11559963    
 H   -8.78379440      -4.81526804       3.29536295    
 O   -3.32323623      -2.67950630       8.26743507    
 H   -3.88595486      -2.65164065       9.03680515    
 H   -3.90107131      -2.56630588       7.49317598    
 O   -1.82999802      -4.76583624       6.94231510    
 H   -2.26844501      -4.13994741       7.53307438    
 H   -1.08025312      -4.28662014       6.57054234    
 O   -7.40521193     -0.448409200      0.375718981    
 H   -6.79658031     -0.239898890     -0.343182057    
 H   -7.41423464      -1.41339302      0.436778843    
 O   -5.78114796      -5.79431057       3.18300557    
 H   -5.19134235      -5.66603184       3.93751192    
 H   -5.22138309      -5.87023163       2.40130925    
 O   -5.35373497     -0.231335387      -1.56247258    
 H   -5.00155449      0.417102933      -2.16645217    
 H   -4.65057898     -0.427992851     -0.919460535    
 O  -0.898392200     -0.939911425       1.05996871    
 H  -0.786190629      -1.43057835       1.88979948    
 H   -6.09050095E-02 -0.518315732      0.885836899    
 O   -4.72631741      -2.59231567       2.15357471    
 H   -5.28720617      -2.36988235       2.90581250    
 H   -4.05243063      -3.21350455       2.45402288    
 O   -3.94937444      -4.99824858       5.21004295    
 H   -3.20236039      -5.13677931       5.81071091    
 H   -4.28597450      -4.11727428       5.42573595    
 O   -6.69753027      -2.04172564       4.12100887    
 H   -6.95057583      -1.18962860       3.74137783    
 H   -7.28604650      -2.72877502       3.78328156    
 O   -5.99539566      -3.02624130      -1.98568225    
 H   -6.50189686      -3.19392014      -1.17849970    
 H   -5.86355162      -2.07074666      -2.01412416    
 O   -1.32889175      -1.03684974       7.04930162    
 H   -1.96598399      -1.49137414       7.61465454    
 H   -1.83137250     -0.718927145       6.28598499    
 O   -3.64367151      -3.80222201     -0.774317801    
 H   -3.33139324      -2.93767571     -0.500206411    
 H   -4.42887592      -3.62877584      -1.31628251    
 O   -4.64795542      -2.36626530       5.88478374    
 H   -5.47968006      -2.23259830       5.41126442    
 H   -3.99350882      -1.78817177       5.46336985    
 O   0.220360681      -2.96767950       5.93013239    
 H    1.11127377      -2.97114944       6.27034569    
 H  -0.249550447      -2.24160886       6.37900686    
 O   -2.80022621     -0.719379365       4.66818142    
 H   -3.25518489     -0.139929295       4.04130936    
 H   -2.14992547      -1.23332405       4.17233038    
 O   -3.91599131      -5.89218283      0.942224324    
 H   -3.84475780      -5.16863728      0.294048250    
 H   -3.72555327      -6.69869614      0.470191836    
 O   -4.19686031      0.714428186       2.75727606    
 H   -3.97231174      0.376324326       1.88434446    
 H   -5.15981531      0.688321412       2.81425905    
          69
 Energy    -248.19688029346815     
  O     20.37861314     12.30730066    -18.78482523
  H     19.78591447     13.07171591    -18.91298712
  H     19.32007554     16.09763456    -16.92088626
  O     17.85726898     18.35740261    -13.86955606
  H     20.57065185     11.96530190    -19.65384393
  H     14.75832220     11.68469560    -13.63602775
  O     21.97497700     12.53244081    -16.51270338
  H     17.55723167     18.36611010    -14.78913292
  H     14.62385693     13.21389273    -13.71115722
  O     15.87449458     14.51397768    -13.25479813
  H     18.81935928     18.27429786    -13.90885683
  H     22.46015636     14.23659313    -15.83710597
  O     16.37001085     13.33403942    -17.58598418
  H     22.60907973     11.81938833    -16.54233822
  H     22.32852664     15.08850010    -14.54763567
  O     16.15587332     10.39793688    -13.23479048
  H     21.46691675     12.48829970    -17.33854225
  H     17.34471024     11.78801144    -12.87210745
  O     14.13730928     11.88657376    -16.68593010
  H     16.13749451     15.29488929    -12.75167681
  H     18.52755562     12.55527204    -13.53122871
  O     21.98542607     17.45635480    -16.62811345
  H     16.57186614     13.85587664    -13.11961791
  H     16.97477091     10.36261258    -16.33707848
  O     17.02253457     16.69681275    -11.93058386
  H     15.52677392     12.89549468    -17.41388120
  H     15.44141661     10.51541309    -16.28080243
  O     19.65193084     12.77871105    -14.92066808
  H     17.05160848     12.68578207    -17.36097651
  H     17.93940251     17.74301128    -17.10297664
  O     18.63419836     14.32369202    -19.06298676
  H     16.19925882     10.18333370    -14.18388386
  H     16.68814361     17.20796868    -16.39286913
  O     19.49679975     16.61112683    -17.72390232
  H     16.00417576      9.57737188    -12.77356339
  H     22.27269748     15.45972148    -12.04309934
  O     14.22292337     12.39006355    -14.01917641
  H     13.23679514     11.77854802    -16.97943097
  H     20.80370206     15.17871362    -12.42126540
  O     22.65126757     15.10170809    -15.45797766
  H     14.09839681     12.11869288    -15.74042464
  H     20.98813217     16.95905762    -13.64256978
  O     17.87191692     12.59471575    -12.81951527
  H     22.28723972     16.59894470    -16.27632626
  H     21.00251572     17.68452114    -15.01645585
  O     16.17819647     10.00646063    -15.92063862
  H     22.76465199     17.93525587    -16.89683896
  H     18.52417026     15.52085536    -11.76311481
  O     17.19178759     18.01763591    -16.56078447
  H     17.27788932     17.32313359    -12.63243825
  H     18.79228947     14.01903051    -11.98184007
  O     21.67095338     15.43513852    -12.78296143
  H     16.68450122     17.21973639    -11.20864314
  H     18.99816168     11.53648902    -17.66440963
  O     20.49452368     17.57090217    -14.20337939
  H     19.44405639     13.72031767    -15.04377504
  H     18.74529461     11.86152593    -16.17922374
  O     19.22417548     14.85677966    -11.77265056
  H     20.52469280     12.63413949    -15.30115861
  H     19.33791424     16.13789888    -14.81447824
  O     18.35455492     11.43356294    -16.95547362
  H     18.90550044     15.19184077    -18.73405264
  H     18.02464870     15.49795638    -15.38055552
  O     18.97950286     15.37485876    -15.28198313
  H     17.75761198     14.14305896    -18.70395170
  H     15.99029083     15.14504775    -14.95970348
  O     16.26278361     15.48267104    -15.82329124
  H     20.36146979     17.00856770    -17.57203847
  H     16.24360709     14.74752787    -16.45072257
          69
 Energy    -248.19686369232184     
  O     -2.44996068      3.10708331      2.89342175
  H     -2.79159692      3.27571983      2.00516463
  H     -3.74413090      0.75503849      0.34228691
  O     -0.66025943      4.44496879     -0.41683993
  H     -2.01275068      2.24342586      2.86982193
  H     -6.14918608      3.50591634      1.85985163
  O     -0.94208529      0.79006418      2.65453245
  H     -0.31625949      4.95677764     -1.14403264
  H     -5.08023308      3.39642174      0.73109980
  O     -4.49538286     -2.39381063     -0.22063560
  H     -0.17269705      3.60092974     -0.41379920
  H      0.21850661      1.27836722     -0.26287503
  O     -1.91085362     -2.69459361      0.51960182
  H     -0.06506719      1.17758571      2.76635180
  H      1.12062712      2.10785596      0.66944967
  O     -4.59264078      0.65680125      1.91721503
  H     -0.97562201      0.47221516      1.74062057
  H     -3.47696939      3.53030714      4.20682479
  O     -6.50382830      4.17886929      3.56989286
  H     -5.06451990     -2.30245641      0.55786836
  H     -3.62431467      4.08898761      5.64463322
  O     -8.39565658     -0.26615421      2.11871557
  H     -4.84342406     -1.77587187     -0.87209152
  H     -3.28284571      2.70211080     -0.15095774
  O     -5.54102211     -0.28222182     -1.88303083
  H     -2.83662004     -2.61045567      0.22761842
  H     -2.43678134      3.99507765     -0.03752357
  O     -5.99781231     -1.76406069      2.00650351
  H     -1.64821285     -3.59319454      0.33929769
  H     -4.57585513      0.81823613      3.76659281
  O     -4.67007127     -1.90476973      4.37859442
  H     -5.19435648      1.37633633      1.68271492
  H     -4.52517878      1.79909467      4.95987124
  O     -3.42734733      0.96166598     -0.55213718
  H     -5.08333509     -0.17689033      1.88455999
  H     -0.90015285      4.16091466      2.70023047
  O     -5.91265165      3.02798832      1.05587206
  H     -5.68989945      4.07027153      4.08743604
  H     -0.20119542      4.70162822      1.44922534
  O      0.70876238      2.10975096     -0.20305137
  H     -6.87535151      5.02325733      3.81399033
  H      1.01422065      3.15243823      2.57330021
  O     -4.11561938      3.70942245      4.92086318
  H     -9.28453718     -0.53645629      2.33305473
  H      2.28513855      2.40393567      3.04417298
  O     -3.26079042      3.58422239      0.25218214
  H     -8.12264965      0.36928283      2.80428458
  H     -7.35327344      2.42698129      3.84709709
  O     -4.81673334      0.91978179      4.70097728
  H     -5.91147785     -0.34048776     -2.75924641
  H     -6.63174205      1.16935897      4.33569999
  O     -0.06824716      4.54590085      2.39273163
  H     -6.21975428      0.13009721     -1.31844740
  H     -1.72736848     -0.89727186      3.20951355
  O      1.46686501      2.29056232      2.56869640
  H     -6.88541837     -1.40166093      2.10185862
  H     -2.04543199     -2.14455618      2.36771827
  O     -7.47304960      1.48031271      3.97360399
  H     -5.62572418     -1.92870493      2.88826679
  H     -1.14897340     -1.06053942      0.11535400
  O     -2.13828555     -1.76873186      3.25093467
  H     -3.75947685     -1.94896533      4.04578516
  H     -1.79854377      0.26942187     -0.32617352
  O     -0.97073490     -0.11930252     -0.00659153
  H     -4.75245734     -1.02775938      4.77035560
  H     -6.93195821      1.76917919      0.12539828
  O     -7.30351992      0.95123220     -0.23141366
  H     -4.07365119      0.58212204     -1.15922153
  H     -7.75143945      0.51556531      0.50358010
          69
 Energy    -248.19674926965550     
  O     15.71619880     11.49139210    -15.60632635
  H     14.93570950     11.35706823    -15.05681250
  H     17.92012553      5.67550758    -13.69230882
  O     14.21720243      6.41798949    -14.93309579
  H     15.67182322     10.82912856    -16.30939073
  H     18.29472557      7.47197785    -17.57672628
  O     18.72626090      7.84318548    -11.54895964
  H     14.03244420      6.28650045    -13.99482800
  H     17.63836204      8.85687337    -17.71966419
  O     15.34276241      7.18941690    -19.08171505
  H     15.01272687      6.97494024    -14.95050384
  H     16.66241275      8.59576229    -14.23323679
  O     14.87092251      8.59763711     -9.29418900
  H     18.11980868      7.11510198    -11.75678271
  H     17.20577594      7.31160479    -14.91704445
  O     14.26116960      6.57927639    -12.18336468
  H     19.47650754      7.76210638    -12.15160385
  H     12.56011370     11.38558795    -14.12484566
  O     17.10019839      9.69889452    -12.80736754
  H     16.13718667      6.92761821    -19.54667650
  H     13.15820047     10.09913187    -14.74027289
  O     17.80623058      5.73055288    -17.22118605
  H     15.11355223      6.43604776    -18.51794366
  H     15.78380055      5.44875888     -9.31341229
  O     13.95712415      6.05024557     -9.42321962
  H     15.82822355      8.54751098     -9.18074329
  H     17.09795047      6.21419306     -9.09632329
  O     19.75410973      9.37429246    -15.37111370
  H     14.71104632      9.00133273    -10.15790941
  H     13.28456742      7.94371748    -15.59604677
  O     14.95701908      5.10346232    -17.22422823
  H     14.29897307      7.54641955    -12.14376831
  H     13.83989815      9.01830013    -16.54161137
  O     18.39767082      5.91494223    -14.49878774
  H     14.04357693      6.27439119    -11.29447138
  H     21.49268187      7.36585474    -13.73282312
  O     18.49070218      8.41846763    -17.64791883
  H     17.75816799      9.16340193    -12.34570409
  H     20.31626351      8.22853574    -14.25753746
  O     16.48543767      7.95420539    -14.93133233
  H     17.55087237     10.41407937    -13.27328423
  H     16.99180329      5.43690594    -11.19129429
  O     13.32165105     10.81176311    -14.09666132
  H     18.10150385      5.62043137    -16.30637303
  H     16.06259594      6.04180658    -12.26077503
  O     16.74321454      5.36783574     -9.39432905
  H     16.88742522      5.44157111    -17.23192160
  H     18.30538660      8.43747914     -8.36450571
  O     13.11435675      8.83230503    -15.93328183
  H     13.23186844      5.87873738     -8.82909207
  H     18.15195832      8.07805364     -9.85799668
  O     20.56124442      7.53165944    -13.61916448
  H     14.21685912      6.98106297     -9.29245608
  H     15.50191938      8.57399867    -17.96145620
  O     16.97213046      5.75693077    -12.10525137
  H     19.27854815     10.18007391    -15.14432054
  H     15.99812860      8.74217187    -16.48259369
  O     17.68702755      8.09530269     -9.00583261
  H     19.38017799      9.05420909    -16.20543699
  H     15.44735284      9.53347799    -12.22185518
  O     15.65224054      9.21923942    -17.25498037
  H     14.62376344      5.48851377    -16.39697292
  H     14.00041211      9.88577388    -12.61792258
  O     14.52009605      9.36408072    -11.99527339
  H     14.58158967      4.22883988    -17.28917858
  H     18.49206355     12.51855731    -14.47618957
  O     18.17882910     11.61891064    -14.51008990
  H     19.21060708      6.35938092    -14.22820718
  H     17.30734642     11.64060229    -14.94619241
          69
 Energy    -248.19669671531398     
  O     13.71321022     12.35001923    -14.39339456
  H     14.61958051     12.64542972    -14.25239041
  H     18.86895028      6.30048642    -13.35007000
  O     14.20170900      6.26084354    -14.07969647
  H     13.77930058     11.61257296    -15.01707209
  H     17.23387055     11.01982211    -16.71751748
  O     19.59740445      9.37132047    -15.15171522
  H     13.85239943      6.27739468    -14.98365042
  H     17.36762808     11.81704383    -15.39386824
  O     11.62589107      8.79888312    -16.30913224
  H     13.55072570      6.62398627    -13.46658888
  H     15.19803177      7.73637776    -14.26207584
  O     15.65947116      8.27283980     -9.70439352
  H     18.98046438     10.07169466    -15.42960546
  H     16.47462571      8.16965350    -15.01145469
  O     12.81700731      7.41469288    -11.94042194
  H     20.44254055      9.58655423    -15.53819492
  H     12.58390559     11.85616273    -13.18538249
  O     16.39503203     10.37347455    -12.61001663
  H     10.80142619      8.90798224    -16.77478253
  H     11.41635598     12.18575999    -12.22195390
  O     15.78956436      7.59714870    -17.83786904
  H     11.41574740      8.82002252    -15.35791893
  H     11.58922733      8.33043119    -13.04309982
  O     14.52540278      5.76414978    -10.35735497
  H     14.99456094      8.87287444    -10.06660186
  H     11.37361388      9.84145877    -13.26607078
  O     17.83477450      7.28572526    -15.89441744
  H     15.31707047      7.38099631     -9.84413615
  H     18.95537328      8.27184344    -12.02875201
  O     13.43844519      6.59424809    -16.65687175
  H     13.24110538      6.78032139    -11.34956932
  H     19.49030643      8.46645585    -13.47616203
  O     18.51376570      5.50831500    -13.79289966
  H     13.22415822      8.27018933    -11.73859461
  H     16.90021976      5.13431739    -12.85858201
  O     17.83900115     11.22908749    -15.99510973
  H     16.21539582      9.68836424    -13.27382052
  H     15.39669934      5.34179119    -13.12133272
  O     15.74154780      8.50573534    -14.48123078
  H     17.01785740     10.01154137    -11.96845413
  H     17.21164113      8.76653102    -10.28599460
  O     11.99282574     11.48212003    -12.50675982
  H     15.89015815      8.53730010    -18.02006697
  H     18.51064544      9.53058091     -9.94721406
  O     11.19419195      8.97276830    -13.64629018
  H     16.54324070      7.36439741    -17.27956051
  H     15.59143489     11.01442174    -18.70433415
  O     19.41658825      7.83147315    -12.75246223
  H     14.33451017      5.00316600     -9.81603384
  H     15.18286232     10.44344584    -17.32575833
  O     16.03099043      5.02128835    -12.46111059
  H     15.12055609      5.46043381    -11.06752087
  H     14.75972032     10.13509256    -11.77603467
  O     18.01433814      9.16089790    -10.67289340
  H     18.52132283      7.95004028    -15.75240063
  H     13.26402761     10.49288821    -11.58107259
  O     15.91880437     10.51820113    -17.95814768
  H     18.01538450      6.56437375    -15.27763558
  H     16.48863778     11.91932596    -13.41345751
  O     13.95989674      9.89082858    -11.29048495
  H     14.21153274      6.92297313    -17.13934082
  H     16.94778489     13.39822716    -13.44518455
  O     16.50041397     12.72838355    -13.95615738
  H     12.77479137      7.29231217    -16.67374244
  H     13.20849275      9.68366060    -16.18287157
  O     14.05138221     10.12482482    -16.01715563
  H     19.21080675      4.85724616    -13.79632372
  H     14.60251176      9.52533965    -15.49310415
          69
 Energy    -248.19648072029042     
  O     15.60399055      3.26110037     -9.71218297
  H     15.60204185      3.85208085     -8.94944929
  H     18.05621223      7.04415764    -14.31317887
  O     19.45582327      7.40751732    -13.16146983
  H     14.78910607      3.45839802    -10.19438498
  H     12.56752635      8.04563167    -12.38980326
  O     14.22790356      8.65313127    -11.93455810
  H     20.39249985      7.50371549    -13.31182278
  H     11.73975260      7.46261166    -13.55108821
  O     12.05298814      7.32969150    -15.33895632
  H     19.35208295      6.74063143    -12.45937070
  H     15.88497482      5.76250677    -12.29130886
  O     17.88082645      9.65117005    -12.25374025
  H     14.21046747      9.09075655    -11.07544640
  H     14.72055174      5.59873139    -11.30421913
  O     17.17773964      6.60112703     -9.44072296
  H     14.66634447      7.79829626    -11.79971969
  H     16.94857467      3.13140962    -10.80360310
  O     19.05439450      5.57623022    -11.20549203
  H     12.65385296      8.00421413    -15.67950611
  H     18.06876249      2.22423627    -11.36398154
  O     13.37540579      4.91156621    -16.29572631
  H     12.41384486      6.48796463    -15.63601727
  H     15.29349049      9.54697984     -9.35583741
  O     15.44479440      5.25063318     -7.67721800
  H     18.47956519      8.94518651    -12.52480790
  H     14.07578244     10.36936488     -8.86546514
  O     14.07161896      9.14151266    -16.31374998
  H     17.19607546      9.68362425    -12.93105489
  H     12.77956931      6.64549027     -9.22401241
  O     15.35117906      6.65988353    -16.83643104
  H     16.57105312      6.51013543    -10.19212831
  H     13.74204439      7.80273331     -8.84302552
  O     17.21889962      6.81417979    -14.73583930
  H     16.74434495      6.15520225     -8.70445917
  H     15.18032872      9.03463795    -13.38518258
  O     11.75212911      7.56655648    -12.59069524
  H     18.70444203      4.68471501    -11.30720663
  H     16.22200260      8.32503450    -14.31563277
  O     15.42083276      6.20772747    -11.57337548
  H     18.54101985      5.97071392    -10.48594504
  H     17.30860937      9.57265799    -10.52016951
  O     17.65333585      3.07519242    -11.47413023
  H     12.99777165      4.64273173    -17.12959544
  H     17.16887092      8.46054350     -9.45737276
  O     14.31987090      9.54988476     -9.28590428
  H     14.12996577      5.49104808    -16.50748253
  H     11.49932548      6.57200043    -11.24824306
  O     13.51629602      6.88396014     -8.65028930
  H     15.35544174      5.19599079     -6.72986857
  H     10.54029298      5.93771094    -10.20998364
  O     15.74733733      9.15482541    -14.16270209
  H     14.72104419      5.82161033     -7.99439094
  H     16.88710147      3.91021884    -12.91355155
  O     16.96786929      9.38909712     -9.63281581
  H     14.65962580      9.25597025    -15.54687547
  H     15.55929747      4.05889530    -13.71795702
  O     11.45760639      5.99671389    -10.46085111
  H     14.00397287      9.99320697    -16.73683474
  H     12.67964141      4.73879618    -10.97822806
  O     16.42108680      4.46133663    -13.55709844
  H     14.94020989      7.53388187    -16.81590587
  H     13.40813005      4.02091571    -12.16436435
  O     13.45828305      4.22057139    -11.22188043
  H     16.10607890      6.70664993    -16.23506035
  H     13.58180988      4.01339791    -14.77065479
  O     13.77322186      3.50091746    -13.96834043
  H     16.97859033      5.93942553    -14.39753088
  H     13.58050898      2.58901557    -14.17679760
          69
 Energy    -248.19631590063997     
  O     12.88414965      3.05888057    -10.12900131
  H     12.61630687      3.20859608    -11.04648022
  H     17.32467997      5.69656013    -12.51561930
  O     17.95940569      7.16821066     -9.95739499
  H     12.37656215      3.69746742     -9.61523295
  H     10.06967460      6.01811144    -14.43831856
  O     13.67856135      8.35781265    -12.93143369
  H     17.50523423      6.43318817     -9.51867907
  H     11.58770173      6.28457655    -14.33175596
  O     14.19957239      8.74438799    -16.72780525
  H     18.11782145      6.89493624    -10.86783841
  H     13.37375561      5.27947058    -11.95002776
  O     16.80322091      9.58924135     -9.94641181
  H     13.11962933      8.84293344    -12.31272806
  H     13.85643892      6.76607029    -12.05839294
  O     13.91571241      6.34846540     -8.88177666
  H     14.59847620      8.63697008    -12.81298996
  H     14.62807800      2.81107314    -10.06503972
  O     16.45660567      5.15250289     -8.79309294
  H     13.52081779      9.21939210    -17.20087331
  H     15.78530401      1.83916561     -9.74765150
  O     13.18185438      6.74411753    -15.03774217
  H     13.74902059      8.02430070    -16.26267350
  H     12.76942368      9.35729754    -10.28350155
  O     11.34673924      5.19661843     -8.94953211
  H     17.38410936     10.22338855     -9.53540194
  H     11.62053141     10.26460693    -10.79018192
  O     16.69334609      8.87220357    -15.47453508
  H     17.24103157      8.72003945     -9.87316210
  H     11.13902958      7.75782807    -10.98258509
  O     17.70587567      6.38508242    -15.59433889
  H     14.01234967      6.19582589     -9.83556975
  H     10.70262563      6.65621768    -11.97270411
  O     17.82941413      6.49228459    -12.74009407
  H     13.05329781      5.98100319     -8.65874788
  H     16.50670599      9.28305140    -11.76712101
  O     10.79626746      6.04630734    -13.82055036
  H     15.59774739      5.56915445     -8.63984261
  H     16.84139928      8.05972276    -12.65128398
  O     14.00982088      5.92468204    -11.61241267
  H     16.25653018      4.29051124     -9.17339413
  H     14.07060975      8.16928385     -8.98234655
  O     15.59534887      2.70508037    -10.09844860
  H     13.90059505      6.09868895    -15.02252558
  H     15.01590035      9.30988795     -9.43618377
  O     12.05254636      9.42884848    -10.94175859
  H     13.36010862      7.38620850    -14.32902255
  H     15.42445574      4.99779567    -12.00253499
  O     10.74787256      6.87678588    -11.03581918
  H     11.10235525      5.76971230     -9.69754796
  H     16.09654789      3.66519088    -11.64478961
  O     16.34695924      8.89206752    -12.63481632
  H     10.57826922      5.14101007     -8.38787398
  H     12.70989238      3.49489948    -13.46378478
  O     14.09397053      9.09988019     -9.24672707
  H     15.83757016      8.93577494    -15.92167081
  H     11.63858083      4.54231284    -13.06609011
  O     16.11194931      4.37603660    -12.29460531
  H     16.55168761      9.09400585    -14.54645431
  H     14.22102378      3.53823197    -15.08944140
  O     12.30960328      3.94955721    -12.70861894
  H     17.37514973      7.30197500    -15.62257529
  H     13.86656668      2.05678015    -15.29828223
  O     13.52802145      2.87518753    -14.94358098
  H     18.38774021      6.31774224    -16.25667603
  H     16.14805961      5.38391251    -15.28427283
  O     15.37770812      4.93227015    -14.91911456
  H     17.98129471      6.44566597    -13.69105871
  H     15.62793698      4.65807915    -14.02382100
          69
 Energy    -248.19617702955122     
  O     -2.52062493     -0.16677487     -0.90174647
  H     -1.57448948     -0.23419837     -0.69851649
  H      0.53215087      1.21854606      3.32388708
  O     -0.55873096      4.04471280      2.85160624
  H     -2.93939272     -0.83331693     -0.34637121
  H     -3.79221269      0.92171085      2.32422910
  O      3.70654607     -1.11724203     -0.39674770
  H      0.14321619      4.43503861      2.32001911
  H     -3.44598595     -0.59089092      2.15894034
  O     -0.84609434      1.33488340      2.17752146
  H     -0.66234786      3.13109743      2.54392096
  H      1.89547606     -0.35277237      3.76553629
  O     -3.35951950     -2.06365860      1.06028120
  H      4.00325228     -0.79063155      0.47291351
  H      1.41285261     -1.76855274      4.09175899
  O     -3.11070794      3.70666842      3.88252896
  H      4.46821739     -1.50430528     -0.81992449
  H     -0.84378131     -1.57775375      4.93129393
  O      1.52119319     -2.26305072      1.07129195
  H     -0.54621184      0.84289658      1.40226173
  H     -0.37303522     -2.93213970      5.50649503
  O     -4.22181475      2.54493509      1.47635596
  H     -1.67333995      0.92869733      2.46121406
  H      2.58742775      3.29230726      1.66943187
  O      0.26867218      3.39378328     -0.80052950
  H     -3.95639376     -2.80349797      0.98776749
  H      2.36089535      2.06041059      2.57488244
  O      0.05346736     -0.15988021      0.02087287
  H     -2.51663253     -2.41858382      1.39754942
  H     -2.66270854      2.83103988      5.34981133
  O     -2.55595497      2.52321014     -0.78068630
  H     -2.25935481      4.01652521      3.54001268
  H     -2.81496288      2.65217516      6.87619342
  O      1.33875349      1.30834329      3.85276019
  H     -3.57867890      3.35886862      3.11636755
  H      3.69209118     -0.57859813      2.71874584
  O     -3.36027228      0.17028812      2.74809002
  H      2.25948040     -2.05664328      0.48648889
  H      3.96900912      0.79369319      2.06075632
  O      2.10489219     -1.28919384      3.61996377
  H      1.76763127     -1.94111546      1.95226256
  H      0.08303692      3.70399833      4.62457118
  O     -0.26781580     -2.34533744      4.76206882
  H     -5.07716890      2.80354773      1.14045249
  H     -0.50160193      2.96667417      5.83674317
  O      2.88593292      2.38939689      1.82972847
  H     -3.60239660      2.60904239      0.73259067
  H     -2.00910481      0.57646365      5.56670807
  O     -2.30348994      2.36368341      6.12458001
  H     -0.61707229      3.02575860     -0.71361672
  H     -2.56462207     -0.19012130      4.35916731
  O      4.24706891     -0.13132720      2.06746246
  H      0.87686172      2.66347725     -0.97289972
  H      2.79654724      0.53994645     -0.79452965
  O      0.32978208      3.27522044      5.45573457
  H      0.45460912     -0.95059561      0.40327914
  H      2.50326325      1.70264398      0.18086991
  O     -1.97223095     -0.27628043      5.11860971
  H      0.78416092      0.38178082     -0.30387100
  H     -0.83038425     -2.80989247      3.01612443
  O      2.25116763      1.32745468     -0.67725455
  H     -2.58615868      1.55219779     -0.86407267
  H     -0.17012251     -2.91366878      1.63159213
  O     -1.02188261     -2.96386490      2.08242524
  H     -2.79698616      2.87686329     -1.63427180
  H      1.84992783      5.65370368      0.80934214
  O      1.54587421      4.80813215      1.12785519
  H      1.13092193      1.93662406      4.55752279
  H      1.07137320      4.38108911      0.39140000
          69
 Energy    -248.19600723126041     
  O      0.78833650      0.90586713      2.89839952
  H      0.94925336      1.81466157      2.61801025
  H     -2.58339959      2.97859895      6.17016279
  O     -2.76466353     -1.60297120     -3.07353448
  H      1.28563224      0.32431227      2.30416925
  H      0.46358711      2.90820734      0.24421658
  O     -0.41304936      0.29337615      5.34893704
  H     -1.90638638     -1.43553290     -2.65469615
  H     -0.68786480      2.23618651     -0.54274258
  O     -4.25242065     -0.98320716     -0.80764854
  H     -2.65466959     -1.38465306     -3.99586063
  H     -3.06940267      0.35996679     -0.56792706
  O      0.17181184     -2.84397754      0.46010617
  H     -0.94098775      1.08885192      5.48411156
  H     -1.56884484      0.32724841     -0.86232496
  O     -3.30555421      3.15292114      1.01841011
  H      0.14316620      0.47677664      4.57911876
  H     -0.93374319      0.55560338      2.45826626
  O     -4.31113014     -1.48493887      4.81487205
  H     -3.90833075     -1.24062932     -1.67297663
  H     -1.96926893      0.52137510      1.28830095
  O      0.94146852      3.54376739      1.91715767
  H     -4.07283379     -1.72112453     -0.20232171
  H     -3.04421689     -2.89052846      1.59028226
  O     -0.46840203     -0.99419737     -1.57145861
  H      0.28217624     -3.77931316      0.30789906
  H     -4.58178244     -2.89046471      1.64383777
  O     -5.74382075      2.21400418      2.13342823
  H     -0.40821908     -2.75515890      1.23504521
  H      2.08952434     -0.28995494      0.18812566
  O     -3.85964892      1.10627886      3.88256853
  H     -3.04481214      2.47273214      0.38911498
  H      1.49206939     -1.52000035      0.89202367
  O     -2.16457744      2.56822189      5.41770246
  H     -4.18390057      2.90140769      1.33156412
  H     -2.15605390      3.69656904      2.32185109
  O      0.23678465      2.49287652     -0.59875619
  H     -3.43005544     -1.78602508      5.06305639
  H     -1.70938564      3.52865812      3.80743259
  O     -2.25833608      0.88289972     -0.47267539
  H     -4.21426310     -0.55082889      4.58189339
  H      2.52190856      0.89171348     -2.12183865
  O     -1.82585763      0.27499648      2.20960961
  H      1.52216935      4.27376128      2.11135059
  H      1.33444343      1.31531538     -1.22105908
  O     -3.83240729     -2.96196668      1.03859523
  H      0.07469559      3.75690089      2.31238898
  H     -1.23341937     -2.65326599      6.10205523
  O      2.00495540     -0.71804283      1.04871898
  H     -0.30838407     -1.66971716     -0.89886978
  H     -1.14406399     -1.28710914      5.38587838
  O     -1.47181137      3.93199807      2.96605713
  H      0.36577742     -0.52334532     -1.69447477
  H     -1.67509833     -1.47070054      2.41260350
  O      1.86200642      0.55312854     -1.52363844
  H     -6.55987965      2.70064377      2.20547428
  H     -1.47913123     -2.52323143      3.51823694
  O     -1.56869298     -2.16369767      5.35594329
  H     -5.95831621      1.36336514      1.70748096
  H     -5.37669777     -2.10385208      3.58791854
  O     -1.50874992     -2.41528205      2.56111451
  H     -4.55577497      1.51761390      3.35637062
  H     -6.62424843     -2.93940985      3.21669509
  O     -5.93852926     -2.39053493      2.84612741
  H     -3.16302529      0.82124461      3.26982194
  H     -6.18525854     -0.93216353      1.65186685
  O     -6.19520284     -0.18502059      1.04105530
  H     -2.85443026      2.06327778      4.95247850
  H     -5.62548473     -0.43040406      0.29938686
          69
 Energy    -248.19593920934437     
  O      0.94351563      1.99377542     -1.43997723
  H      0.77682057      1.45658517     -2.22130060
  H     -2.19272810     -2.73875662      1.65031774
  O     -3.19209265      3.32567501     -1.99848925
  H      1.15483362      1.36306213     -0.73750445
  H     -4.12332144     -0.09818472      0.00671740
  O     -2.34707454      0.15872010      0.41450007
  H     -2.92104207      2.41435208     -2.19835352
  H     -5.04935383     -0.54991958     -1.13501044
  O     -1.09933748      3.82683847      2.31959235
  H     -3.34822412      3.75900598     -2.83401644
  H     -5.34325171     -1.15805583      1.28384054
  O     -4.15508461      0.16940405      3.97374831
  H     -1.97840619     -0.61714519      0.85580494
  H     -4.87265648     -1.13024980      2.75683033
  O     -2.42036588      0.69843799     -2.30491170
  H     -2.50060613      0.83965309      1.08115742
  H     -1.66703606      3.71175172     -0.90281229
  O     -4.34647784     -1.26619741     -2.77524726
  H     -0.90358639      4.70390703      2.63535584
  H     -0.21667599      3.18400555     -0.75060347
  O     -3.28771119      2.10082907      2.26284475
  H     -0.99444360      3.84286132      1.34888439
  H      0.14216076     -1.24064424     -2.12126164
  O      1.19950059      0.05869620      0.57154781
  H     -4.71642216      0.54704622      4.64663747
  H      0.32953660     -1.07363725     -0.60444567
  O     -4.94178926      2.64779993      0.16741300
  H     -3.88407586      0.90240044      3.39326320
  H     -3.92274702     -4.55116394      1.35751074
  O      0.16541526      1.35880397      2.79118924
  H     -3.11386707      0.08473477     -2.58073023
  H     -4.26106675     -3.04073016      1.44288248
  O     -1.45205023     -2.13981368      1.80531079
  H     -2.24721550      0.52448744     -1.36577973
  H     -2.33521690     -0.37849384      4.21070191
  O     -5.05549481     -0.15261963     -0.25712452
  H     -4.78863995     -1.74548146     -3.46939163
  H     -1.40473076     -1.20737589      3.30424965
  O     -5.19205359     -1.71533772      2.05986944
  H     -3.73440542     -1.89221130     -2.34169120
  H     -2.90646398     -3.18432103     -0.62803491
  O     -0.88925169      3.74552267     -0.33691797
  H     -2.60105986      2.77163536      2.35645998
  H     -1.70609343     -2.49131810     -1.33870250
  O      0.02804655     -1.69844543     -1.28123036
  H     -3.91286880      2.39951655      1.58374254
  H      1.35282361      0.21784797      3.81265167
  O     -3.63690002     -3.68871510      1.06917034
  H      0.77315848      0.53931237      1.29564756
  H      0.61310106     -0.91998593      4.47528797
  O     -1.40897188     -0.59060301      4.05359270
  H      1.85426724     -0.52019069      0.97865805
  H      0.67279258     -3.01106819     -0.03550397
  O     -2.60546804     -2.81890710     -1.46831547
  H     -5.18008939      1.73561450     -0.04728784
  H      1.55163629     -2.97343753      1.23883465
  O      1.50145192     -0.64717888      4.21990412
  H     -4.42881084      2.97480307     -0.58177492
  H     -0.02473537      0.13860982     -4.40643638
  O      0.78887119     -3.40957557      0.83770383
  H     -0.21058321      2.24188984      2.71149193
  H     -0.86995834      0.37036250     -3.13039302
  O      0.01733740      0.13780578     -3.45388172
  H     -0.48072612      0.79506660      3.24254108
  H      3.70179712     -1.88553899      2.25177213
  O      2.77166029     -1.77407085      2.07433302
  H     -0.64978653     -2.60561731      1.53043984
  H      2.36538035     -1.45942223      2.90057119
          69
 Energy    -248.19582446507133     
  O     11.99967276     10.70881959    -15.77916725
  H     12.34177567     11.51477331    -15.37460245
  H     18.67413079      8.70511464    -13.30844100
  O     15.81488536      6.91043596    -13.33957585
  H     11.50887570     10.23111325    -15.09901236
  H     16.38480766     12.29504007    -15.15231505
  O     16.30893380     10.97307433    -11.36323297
  H     15.00604514      6.76568166    -12.83027216
  H     15.88064562     11.90495388    -16.54184082
  O     17.26710168     11.20051017    -13.95324461
  H     16.46544402      7.31753746    -12.75072447
  H     14.68266232      9.27200275    -15.23051692
  O     13.47710551      6.45047952    -16.75967194
  H     16.83350183     11.24345881    -12.12838571
  H     15.35634043      8.51082768    -14.05428323
  O     13.19581615      8.72933963     -8.96225474
  H     15.39201930     11.06276037    -11.66268525
  H     11.05288589      8.18123802    -14.12265389
  O     13.43867812      6.72141674    -11.95200364
  H     16.53165744     10.59846190    -14.14682909
  H      9.67652916      8.87549050    -13.99549633
  O     13.87182238     11.08799332    -12.64916158
  H     18.06327785     10.65563122    -14.01978525
  H     16.38494359      8.29618292     -9.01167552
  O     14.06093284      6.17764406     -9.26812346
  H     13.05494325      6.11626578    -17.54724400
  H     15.87280330      6.87771469     -9.30545690
  O     17.86636580      8.34226333    -16.66360541
  H     13.58477965      7.41065027    -16.88324947
  H     12.49377285      6.52967103    -15.13077036
  O     16.21387029      6.32582431    -15.99206871
  H     13.97758495      9.29128788     -8.89123049
  H     12.47757174      6.52154838    -13.57608246
  O     19.06404749      9.13204862    -14.08295045
  H     12.73783551      8.98561170     -9.77392763
  H     17.13069872      9.23203898    -11.66346160
  O     15.74520300     12.54521503    -15.83460572
  H     13.63349123      6.36850356    -11.07509037
  H     17.38159087      7.91805800    -10.90258135
  O     15.12443957      9.38912220    -14.38236489
  H     13.04333796      7.59362354    -11.81182483
  H     15.98373469     10.47238032     -9.67785950
  O     10.61429162      9.02409173    -13.90358455
  H     13.62458645     11.84933927    -13.18647790
  H     16.02740179     10.70867690     -8.15371601
  O     16.66582304      7.42627919     -9.32292140
  H     14.24908764     10.43890364    -13.26615752
  H     16.62087177     10.58880609    -18.55888351
  O     11.94811350      6.71978405    -14.35914629
  H     13.72930821      5.58534692     -8.59874383
  H     16.85432550      9.72374818    -17.30192186
  O     17.52972593      8.35835157    -11.75329031
  H     13.70041676      7.06133884     -9.06819806
  H     12.77253102      9.94640598    -11.85150114
  O     15.71069749     10.10472536     -8.82136149
  H     17.27013845      7.60065566    -16.45375025
  H     11.50994529      9.16526156    -12.24026292
  O     16.26753010     10.39076150    -17.69445189
  H     18.62734579      7.96217169    -17.09717304
  H     14.19087352     12.86709211    -15.10680647
  O     12.19305508      9.22623111    -11.56182582
  H     16.13590249      6.38301633    -15.02786584
  H     13.10585061     13.89605790    -14.71052850
  O     13.33772107     12.97354865    -14.64835453
  H     15.31204139      6.23174658    -16.31902920
  H     14.59292211      9.63040891    -17.31529126
  O     13.87279143      9.12788258    -16.91763380
  H     18.63715962      8.75549215    -14.86108281
  H     13.17632190      9.73689922    -16.62242585
          69
 Energy    -248.19579860099537     
  O      1.70498097      0.97892257      2.63660521
  H      0.93607579      1.53691836      2.84898576
  H     -2.70845575     -1.02922145      3.91410061
  O     -4.33383666      0.03225887     -2.57064280
  H      2.47811508      1.46131885      2.92236299
  H     -1.53092012      0.99947951      5.72647687
  O      0.78982199     -1.12936802      4.33558508
  H     -3.66365399     -0.59589035     -2.86760570
  H     -1.87051929     -0.49753717      5.66059299
  O     -6.21096844     -1.51951811     -1.35990858
  H     -3.85372054      0.70575140     -2.07198694
  H     -3.82428698      1.30203497      0.49069212
  O     -2.34787953     -2.00434337     -2.99472354
  H      0.17508727     -0.67209804      4.92814891
  H     -4.76125591      0.31937132      1.27407446
  O     -0.79796147     -0.55735770     -1.14608862
  H      1.16982176     -0.46086857      3.75523455
  H     -2.86280748      0.39556752      2.14411823
  O     -4.65989551      1.93312128      3.98627640
  H     -7.04991402     -1.44868778     -1.80710588
  H     -1.49889485      0.74130583      2.78919652
  O     -2.39124575     -4.21700862      3.81360469
  H     -5.60383513     -0.89778234     -1.79992511
  H     -4.88735370     -2.90638466     -1.44538716
  O     -0.60341463      2.37770787      3.02471456
  H     -2.91557776     -2.57756326     -2.44860545
  H     -3.84847721     -3.54064650     -0.50257024
  O     -2.65217711      1.54154347     -0.88604482
  H     -2.15196300     -2.49007743     -3.79143582
  H      0.45391257      0.70459767     -0.53917061
  O     -5.68067247     -0.65944013      4.17587974
  H     -0.78728927     -1.13763405     -0.37029967
  H      1.26204743      1.11377372      0.72512590
  O     -3.04523852     -1.56161771      4.65125909
  H     -1.21682064     -1.05651041     -1.85801561
  H     -3.20946772      2.41804681      4.75834596
  O     -1.15753022      0.12287270      5.86746219
  H     -5.11141049      1.10952940      4.21838947
  H     -2.54460372      3.33694330      5.80926979
  O     -4.27997310      1.15781083      1.32938986
  H     -4.58539180      1.89744933      3.02383327
  H     -0.20453144      2.75841370      0.16564459
  O     -2.06937900      0.00699545      2.53686542
  H     -2.44951861     -4.97628681      4.38870758
  H     -0.64814269      4.23878666      0.03961898
  O     -4.06698637     -3.41555694     -1.43503135
  H     -1.44678359     -4.04520489      3.66694024
  H      1.05832727     -4.01892618      3.26624840
  O      0.90206913      1.44380599     -0.10629677
  H     -0.85799034      2.85183034      2.22299263
  H      0.45522301     -2.66932149      3.73108325
  O     -2.35302632      2.68497888      5.14094218
  H     -1.19055287      2.63032486      3.75040188
  H     -1.27071497     -1.27426211      1.67846519
  O     -0.90936485      3.39312401      0.39501755
  H     -2.16625099      2.28860610     -0.51805137
  H     -0.39941401     -2.55894216      1.77443387
  O      0.24872115     -3.51664649      3.29171392
  H     -2.01743549      0.81317499     -0.95364794
  H     -2.54833496     -2.84620692      1.12712560
  O     -0.91657546     -2.02097739      1.16617592
  H     -4.84245517     -1.04655330      4.46378189
  H     -3.24543559     -3.76616957      2.13266694
  O     -3.38569718     -3.29966808      1.30164421
  H     -5.78725726     -0.93410676      3.25754826
  H     -5.84494911     -1.42909366      0.46838363
  O     -5.44656672     -1.35908110      1.34535916
  H     -2.86857056     -2.48348838      4.43567317
  H     -4.75827726     -2.03663535      1.38636138
          69
 Energy    -248.19573880660516     
  O     21.39968825     12.21083244    -18.36031018
  H     21.58331931     13.05491514    -17.90906420
  H     16.79804674     11.65842475    -13.88033482
  O     15.93122249     17.80088480    -14.01500292
  H     22.18414908     11.97974776    -18.84974996
  H     19.89820387     16.83855669    -13.78409806
  O     22.12064696     14.54754609    -14.22635497
  H     15.48863334     18.62385784    -13.82559052
  H     20.42106015     16.93020250    -15.23613784
  O     14.16452448     13.18994559    -14.82225498
  H     16.31543920     17.89075673    -14.90623551
  H     18.67385413     12.46570268    -13.06923265
  O     17.22398146     11.95191648    -17.19638951
  H     22.89567996     14.61318484    -13.67557870
  H     18.14212530     11.34819278    -12.12824723
  O     18.59461607      9.63577997    -11.90273876
  H     21.66582936     15.40845803    -14.18172652
  H     17.50003481      9.80207384    -14.68113306
  O     21.76838851     14.54133333    -17.04421023
  H     13.21585026     13.09841276    -14.79726018
  H     18.93556383      9.73481573    -15.23076781
  O     19.58706215     16.43732825    -16.94954168
  H     14.39452352     13.92190062    -14.22130213
  H     16.89716041     16.29059441    -18.98529375
  O     14.94317975     15.22631744    -13.23276705
  H     16.90611228     11.57901086    -16.36247574
  H     15.87565064     15.72443930    -17.98534933
  O     19.85437122     12.89208595    -14.32077481
  H     16.75484837     12.79607204    -17.25537169
  H     17.90561803     15.90544132    -12.36829447
  O     18.84997934     13.10932770    -19.25314548
  H     18.49922621      8.81312828    -11.43109731
  H     17.46112895     17.09416832    -13.26552635
  O     16.28758021     11.31339657    -14.62525428
  H     18.57934517      9.40618849    -12.84801664
  H     16.64625866     17.58559281    -17.16440024
  O     20.70510861     16.85177716    -14.31739114
  H     22.03152323     14.51081737    -16.11634876
  H     18.03858369     17.74611405    -16.55020466
  O     17.94159505     12.22755850    -12.48052875
  H     21.09331075     15.22715798    -17.10210519
  H     16.96796561     14.46016916    -10.46802432
  O     18.32729024      9.30682337    -14.61602994
  H     19.04192143     15.82989550    -16.42377719
  H     17.34846404     13.69414678    -11.75649835
  O     16.09215927     16.51349380    -18.50326477
  H     19.31585343     16.32545034    -17.87111556
  H     20.40078118     11.30766976    -17.06155467
  O     18.21564273     16.53632255    -13.03079673
  H     15.59160718     14.99468107    -12.55675942
  H     18.88965051     11.36476616    -16.73686700
  O     17.11929908     17.99389722    -16.42272126
  H     15.18379605     16.10511942    -13.55009234
  H     18.68093714     14.09096022    -15.01528869
  O     17.04231765     14.55229203    -11.41433549
  H     20.69036538     13.36777703    -14.24955379
  H     18.06150903     15.41305837    -14.50129211
  O     19.74657914     11.06916972    -16.39379073
  H     19.93154934     12.22304080    -15.01529517
  H     18.72659407     14.83057716    -19.46742124
  O     18.09864215     14.82113476    -15.26303364
  H     19.72875508     12.75993423    -19.05970206
  H     18.97826401     16.03587881    -20.40381936
  O     18.69782427     15.80234793    -19.52276533
  H     18.24030274     12.62446074    -18.68479764
  H     15.16244557     13.97505065    -16.21820677
  O     15.85334745     14.32537968    -16.79231552
  H     15.48642636     11.84982401    -14.67115237
  H     16.60373140     14.54855555    -16.21861190
          69
 Energy    -248.19573421464855     
  O     15.43174985     13.63634872    -11.47286102
  H     14.89153597     14.35529344    -11.78902591
  H     15.37168378      9.56479409     -6.29677513
  O     17.71385050      6.66864075     -4.06478877
  H     15.79501083     13.91352830    -10.61231587
  H     19.72199604     10.98781420    -10.94482018
  O     15.14150882      7.52340893     -4.31526966
  H     17.73889098      5.77326847     -3.73828312
  H     18.62930558     11.86765032    -11.65344043
  O     13.62396370     11.01502623     -7.99671236
  H     16.77420411      6.89878890     -4.17843191
  H     20.19959149      8.82835986     -7.43492375
  O     19.31215167     13.96056236     -9.19804814
  H     14.94950825      7.83957159     -5.20908693
  H     20.32316928     10.32176002     -7.79260333
  O     19.32029991     11.86759246     -7.32300349
  H     15.02904938      8.28752341     -3.73827527
  H     17.39637781     14.16345214     -8.96323708
  O     20.46597251      9.29853243    -10.75085638
  H     13.90250494     10.17596234     -7.60732805
  H     16.05653806     13.82313205     -8.24810209
  O     17.20995140      8.23356011     -8.32758555
  H     13.91947406     10.99056814     -8.91777075
  H     17.95774237      8.28323669     -3.01378537
  O     15.98724711     10.97918497     -5.30056856
  H     19.34454780     13.24155339     -9.85389247
  H     18.36073313      9.73557851     -3.32555494
  O     14.88350706     11.08290674    -10.45599781
  H     19.88742055     14.65067273     -9.51775852
  H     16.68296386      8.93011326    -11.96169040
  O     14.91261767     13.08619788     -6.83024593
  H     18.52020661     11.51439172     -7.74251561
  H     15.60411145      8.85128677    -13.06645529
  O     14.95942027      8.83523788     -6.78446715
  H     19.49386842     12.69773220     -7.77935541
  H     16.42688170     11.03922084     -9.36995359
  O     19.21431602     11.80588978    -10.88231636
  H     20.55906435      9.29233053     -9.78059189
  H     17.93440276     11.16104946     -9.68690430
  O     20.60978312      9.43875492     -8.05974532
  H     21.28051863      8.95488022    -11.10782980
  H     19.08884510     11.16200299     -5.63936643
  O     16.43699356     14.23208548     -9.03401601
  H     17.28137296      9.17438198     -8.55341784
  H     17.72681277     10.74385140     -5.06652760
  O     17.91398269      9.18359437     -2.66862201
  H     17.82903041      8.07962056     -7.60160213
  H     18.63523525      7.46667430     -5.50373120
  O     16.00646183      9.44449768    -12.43798707
  H     15.59397360     10.82321532     -4.43135123
  H     18.90223056      8.96363281     -5.73457731
  O     17.30635061     10.91891898     -8.99250307
  H     15.62938080     11.78733985     -5.68750201
  H     17.62548257      7.95167744    -10.12034072
  O     18.68172968     10.60623215     -4.96311241
  H     15.16744613     10.45161990    -11.12959571
  H     18.78543688      8.43365311    -11.01423220
  O     18.97018012      8.09387547     -6.15555340
  H     14.95268921     11.96349204    -10.84758522
  H     14.95219216     10.19865126     -1.91811815
  O     17.88222718      8.09684274    -11.04140102
  H     14.28431488     13.74075617     -6.53416987
  H     16.24002620      9.72123062     -2.63204975
  O     15.31161861      9.98279058     -2.77395972
  H     14.39610505     12.38100303     -7.26325220
  H     16.68072587     12.59396192    -12.47695737
  O     17.31780248     11.95458062    -12.82060261
  H     15.63834663      8.49408557     -7.38164642
  H     16.86890235     11.09920546    -12.82152506
          69
 Energy    -248.19565963408328     
  O     13.53097067     11.07781824    -14.55785405
  H     13.93755150     10.87071641    -13.70642528
  H     15.79376389      5.18467326    -16.29545336
  O     14.37370648      5.26680036    -17.37059435
  H     12.59913648     10.85142929    -14.46148625
  H     13.60520706      7.76440191     -9.68124016
  O     13.10768801      5.77218931    -12.08514856
  H     13.97799406      6.11752670    -17.59471165
  H     13.64419010      6.42274551    -10.43436355
  O     16.59379137      6.58301120    -10.51111229
  H     13.74192793      4.79561464    -16.81441823
  H     14.83218116      7.76405517    -14.22254388
  O     12.97276382      3.65904723    -15.39475627
  H     12.14393409      5.78495544    -12.10042612
  H     14.08344894      8.57104317    -13.14800666
  O     10.83004702     10.00674217    -14.35243697
  H     13.41498428      6.50431899    -12.64362601
  H     14.34814269     10.23091691    -15.97775039
  O     13.28674555      7.86476357    -17.95680825
  H     15.71405451      6.67268329    -10.11396421
  H     15.43503170      9.15064407    -16.19547568
  O     18.75288539      8.18125298    -13.59292796
  H     16.82739110      7.45937434    -10.82993566
  H     10.37204801      5.75984888    -13.21662543
  O     11.92682732      7.80270681    -15.53877025
  H     12.93488071      2.73400134    -15.62936733
  H      9.60461027      5.51218904    -11.89395569
  O     17.11012434      4.23342262    -11.70194039
  H     13.63356010      3.73364251    -14.68799479
  H     10.82299489      9.24350014    -12.63608465
  O     18.56147323      5.49898316    -13.78683354
  H     10.08832409     10.36953911    -14.83038238
  H     10.63254550      7.86223274    -11.95908918
  O     16.37849969      5.20029223    -15.52311222
  H     11.13465712      9.23080391    -14.85353278
  H     14.22269368      4.64965645    -12.88333187
  O     14.00414818      6.88704169     -9.66564929
  H     13.11715589      8.13238424    -18.85558756
  H     15.62535640      4.00901327    -12.81815576
  O     14.01476882      7.78676606    -13.70878040
  H     13.84809858      8.55604979    -17.55713851
  H     11.45408657      4.73092510    -15.03687948
  O     14.76601330      9.67705151    -16.65253751
  H     18.74663753      7.20648117    -13.61129659
  H     11.08976661      6.22290580    -15.17817059
  O     10.30538648      6.02866305    -12.28240101
  H     19.56296774      8.45943153    -14.01236206
  H     12.41949948     10.00946767     -9.34170229
  O     10.89907826      8.77489526    -11.79593204
  H     12.67036735      7.80019058    -14.91632409
  H     12.08038779      9.22466487    -10.63141114
  O     14.85493260      4.11629369    -13.38969825
  H     12.30062093      7.82847001    -16.42865812
  H     16.42080373      6.98831858    -15.37724371
  O     10.75931943      5.37389596    -14.85088660
  H     17.42457086      3.62743434    -11.03665828
  H     17.18782093      8.13900807    -14.67950811
  O     12.80570438      9.47338248    -10.02886972
  H     16.92265484      5.07637384    -11.24743938
  H     14.02625740      9.90228915    -11.34057612
  O     16.38384963      7.93287211    -15.16677320
  H     17.96461479      5.31500814    -14.52524251
  H     15.47906563      9.78135532    -11.89782474
  O     14.57054761     10.00746084    -12.13240230
  H     18.19267640      5.01835933    -13.03514024
  H     17.79688562      8.89958481    -12.24457774
  O     17.23840305      9.21966952    -11.51844024
  H     15.86212940      4.84746937    -14.78586721
  H     17.80798988      9.72077892    -10.93793686
          69
 Energy    -248.19557136328388     
  O      0.79548118     -1.20850056      5.52588377
  H      0.61201492     -0.26901932      5.38583502
  H     -1.03869258      3.13688434      2.46260743
  O      1.67727745     -0.66450574     -2.15539209
  H     -0.04014896     -1.58640495      5.82270702
  H     -2.97034054     -0.71743001      5.77804748
  O     -1.86042241     -2.12585753      6.31464798
  H      0.87391311     -0.28896704     -1.77080602
  H     -3.23166769      0.78007525      5.37078435
  O     -0.44250399      0.15686522     -0.45590148
  H      1.58737277     -1.62288238     -2.07630368
  H      1.15953417      2.05880850      2.12209316
  O      1.48246159     -3.43372864     -1.40676809
  H     -1.93140642     -2.64190868      7.11374285
  H      1.53337721      3.52932075      2.42737217
  O      3.05443257     -2.64280284      0.67102892
  H     -2.14071340     -2.70640276      5.58309415
  H     -2.47065897     -0.38562815      3.74208342
  O     -4.82702138     -3.13111481      2.43086329
  H      0.20823702      0.28598468      0.24772886
  H     -1.05061998      0.18051823      3.56630580
  O     -0.03653768      1.33687462      4.74056316
  H     -1.27511870      0.53660917     -0.14604786
  H     -0.84154291     -1.61623638     -0.54895357
  O      3.62608326     -0.01675975     -0.38736623
  H      1.82739763     -4.23126055     -1.79889706
  H     -0.25719377     -3.00388690     -0.89709638
  O     -5.38855231      1.24676005      1.46796969
  H      2.04332729     -3.23431440     -0.63579156
  H      0.83833060     -2.27944332      2.68649665
  O     -5.60569973     -0.59895753      3.45129118
  H      2.68359836     -2.46823410      1.54646722
  H      1.52055872     -1.65772797      3.91845322
  O     -1.99981427      3.12020448      2.55546198
  H      3.42817902     -1.80605616      0.37046408
  H     -2.88758281      3.30233034      5.61708987
  O     -3.53371812     -0.13017719      5.25641360
  H     -5.43034090     -3.79625460      2.10892527
  H     -2.45650281      2.77293532      4.22896571
  O      0.85160498      2.87455378      2.55357486
  H     -4.40732844     -2.73497133      1.64669339
  H      1.61058076     -0.27644709      2.04479459
  O     -1.74505281     -0.30809446      3.10850348
  H      0.37309914      1.92993868      4.09883956
  H      2.36054913      0.41514381      0.86954856
  O     -1.03748280     -2.56541688     -0.53727559
  H     -0.83143599      1.78396766      5.05871547
  H     -1.91633220     -3.51933062      3.51697536
  O      1.64409893     -1.82419579      2.97377545
  H      4.40983145      0.34610258     -0.78985096
  H     -3.44123709     -3.49365065      3.67972855
  O     -2.55169454      2.53121645      5.16791993
  H      2.99638057     -0.20349910     -1.10753362
  H     -0.90959941     -2.82493750      1.27564451
  O      1.60545137      0.50029257      1.46656480
  H     -6.24961428      1.55275126      1.19847406
  H     -1.18418337     -1.92538705      2.51257523
  O     -2.62037453     -3.59816881      4.17561957
  H     -5.53773906      0.60891816      2.18757009
  H     -2.83477346     -2.28171790     -0.10810949
  O     -0.81058742     -2.77659791      2.23407437
  H     -4.99324027     -0.43848174      4.18170963
  H     -3.51161340     -0.97798404      0.34554990
  O     -3.64159780     -1.92938215      0.29068915
  H     -5.43298820     -1.49976941      3.15130133
  H     -3.72923876      1.08408557      1.00322088
  O     -2.78947505      0.88965208      0.85544187
  H     -2.32165327      2.51892459      1.87489613
  H     -2.44574678      0.45327968      1.65188109
          69
 Ord_Energy   -248.195312    
 O   -2.82757020       1.13146853       2.48010635    
 H   -1.96535432       1.53860772       2.49317551    
 H   -3.17423916       1.24092138       1.57606483    
 O   -8.04885101       1.55540168      -2.42783308    
 H   -7.38601589      0.936883450      -2.76217556    
 H   -7.62018776       2.01279211      -1.69379592    
 O   -5.99824190      -4.54654741       1.27551281    
 H   -6.95677614      -4.44252014       1.32538939    
 H   -5.64518642      -4.50175238       2.17841291    
 O   -6.59111881       2.18630886      -4.98763211E-02
 H   -6.76604748       1.23454463       1.25377299E-02
 H   -6.85594130       2.55891752      0.799706936    
 O   -6.99255514      -2.97688723       5.53493166    
 H   -7.39531565      -3.32766867       6.32437038    
 H   -7.70832634      -2.83928800       4.88745022    
 O   -8.87060833      -2.33105826     -0.774913371    
 H   -9.41904354      -1.62205446      -1.14163792    
 H   -8.31091881      -2.68967319      -1.48267102    
 O   -4.86781406      -2.01230669       1.00828457    
 H   -5.26120138      -2.88744664       1.12586808    
 H   -4.44989729      -1.76399279       1.84299791    
 O   -10.1324148     -0.137214199      -1.79190171    
 H   -9.44775963      0.510182858      -2.02862501    
 H   -10.9306288      0.156808347      -2.22247767    
 O   -8.78954601      -4.06566429       1.29495168    
 H   -9.45777130      -4.73800182       1.18468451    
 H   -8.88862705      -3.44906783      0.548195362    
 O   -7.30637121       2.85816717       2.61654878    
 H   -6.47976780       2.67358899       3.09848428    
 H   -7.68097782       3.64578080       3.00142694    
 O   -5.07936716       2.09704685       3.95927858    
 H   -5.34659958       1.29948497       4.43499899    
 H   -4.27742767       1.86036491       3.47748637    
 O   -7.92839098       9.66114476E-02   2.71802092    
 H   -7.90422869       1.06156623       2.73149848    
 H   -7.62173223     -0.162589878       1.83960915    
 O   -7.03210068      -3.15428543      -2.58840847    
 H   -6.33704233      -3.72852397      -2.24663424    
 H   -6.62031507      -2.30421495      -2.79382753    
 O   -6.04599476     -0.440645218       4.73974466    
 H   -6.33163643      -1.24249268       5.19364691    
 H   -6.69650269     -0.279383183       4.04058981    
 O   -6.08353949     -0.481057346      -2.62896252    
 H   -6.32505035     -0.485915065      -1.69383359    
 H   -5.13808155     -0.287517875      -2.65928125    
 O   -3.84656906       1.46869135       4.23474982E-03
 H   -4.73636627       1.83201551      -8.81057903E-02
 H   -3.64226294       1.00626135     -0.816318750    
 O   -3.31999993      -6.92288131E-02  -2.35682201    
 H   -2.61203361       5.48552610E-02  -2.98294640    
 H   -3.23938251     -0.977481008      -2.01186538    
 O   -3.34103465      -2.52343059      -1.24548268    
 H   -3.76611090      -3.35868931      -1.46570063    
 H   -3.74909997      -2.26662302     -0.405354023    
 O   -6.95848465     -0.560729384      0.152163953    
 H   -6.17702532      -1.05314112      0.449343055    
 H   -7.64024019      -1.18201852     -0.138191357    
 O   -3.76320529      -1.34777951       3.43376231    
 H   -4.52761126      -1.03379452       3.93928146    
 H   -3.28853846     -0.555087924       3.15135074    
 O   -5.06372833      -4.83666039      -1.33129346    
 H   -5.36492634      -4.82544899     -0.408106357    
 H   -4.88417482      -5.74923468      -1.54536116    
 O   -4.98743534      -3.97615719       3.75869226    
 H   -4.37253761      -3.23432112       3.71774197    
 H   -5.64681196      -3.73057556       4.42016172    
 O   -8.82736492      -2.43475556       3.62747431    
 H   -8.69910145      -1.52929366       3.31656480    
 H   -8.86273575      -2.99371386       2.84201336    
          69
 Energy    -248.19522537409716     
  O     12.96382667      9.70259334    -10.15473549
  H     13.74431771     10.28458241    -10.22217664
  H     13.36759096      6.36805162    -15.16046473
  O     15.39295101      4.93307296    -12.46490663
  H     12.36437849     10.11380674     -9.53890921
  H     17.65513105      5.50465682    -14.53321118
  O     15.55546607     12.10196582    -13.11420228
  H     16.23416474      4.91306152    -11.98853786
  H     18.23345243      6.90905674    -14.30563092
  O     18.16760827     10.78413397    -13.05075070
  H     15.58797318      4.72050135    -13.38689231
  H     14.86580956      7.91167420    -16.11822653
  O     10.79169170      7.87600256    -16.01390561
  H     16.43356825     11.72946044    -13.25397211
  H     16.14698741      8.76211702    -15.91754759
  O     16.94542849      7.03947396     -9.42648713
  H     14.97836427     11.71263503    -13.78319933
  H     15.46378571      6.86265385    -12.66558911
  O     12.14658908      6.64425847    -13.84742729
  H     17.90983494     10.27254717    -12.26384323
  H     14.66865635      8.19072656    -12.83025803
  O     13.81843240     10.68310801    -14.86715749
  H     18.92641717     11.30554188    -12.80140870
  H     13.59474653      6.49564430    -10.31915672
  O     13.33501604      9.23879670    -18.30027681
  H     11.16734455      7.39696521    -16.76258725
  H     13.72847645      7.95671265     -9.85287934
  O     16.04391449      4.63210550    -15.17917048
  H     11.08917182      7.40549075    -15.22468979
  H     18.18952938      5.53176628    -12.33028818
  O     17.47727118      8.59619637    -14.66817293
  H     17.29306881      6.38501004    -10.04256267
  H     18.68168934      4.64104431    -11.16737294
  O     13.98299231      6.26651685    -15.90109088
  H     15.97901609      6.99752573     -9.49143601
  H     13.74832692      4.97050464    -11.85018698
  O     18.32804711      5.98586776    -14.03685987
  H     12.21724737      6.03629787    -13.10297924
  H     12.54101809      4.34034610    -11.11650930
  O     15.26591515      8.76947765    -16.31409228
  H     12.38283934      7.51729707    -13.49345536
  H     16.54926807      8.76383085    -11.68073498
  O     15.54800290      7.79541964    -12.88817352
  H     14.37571407     10.05955375    -15.35438471
  H     17.23886625      8.58244524    -10.33267236
  O     14.14807283      7.08935991     -9.80207663
  H     13.00589586     10.77439776    -15.38063693
  H     12.70530201      7.61337092    -18.30926383
  O     17.95807432      5.19663814    -11.44588011
  H     14.13258406      9.18360376    -17.75517201
  H     12.12195886      6.34424390    -18.97871562
  O     12.83325496      5.13277739    -11.56057423
  H     12.71956857      9.79535304    -17.80704763
  H     15.21404968     11.62333514    -11.38687922
  O     17.13253836      9.21645048    -11.05476866
  H     15.33326270      5.21099051    -15.50377568
  H     15.89381223     10.53882808    -10.53530637
  O     12.36087826      6.71809990    -18.13542511
  H     16.08627030      3.88826801    -15.77491689
  H     10.73513165     11.01701326    -16.59018499
  O     15.15966843     11.16598736    -10.53507824
  H     17.84492776      9.38830662    -14.25743480
  H     11.19067404      9.57964339    -16.24315061
  O     11.50811239     10.47543686    -16.45491022
  H     16.77271580      8.28903745    -14.07230696
  H     12.92658284      9.32837431    -11.93694926
  O     13.03768256      8.98441943    -12.83209424
  H     13.45826178      6.29840052    -16.71163226
  H     13.25822393      9.70456877    -13.43795737
          69
 Energy    -248.19515743731915     
  O     13.21534713     10.83545175    -15.81358383
  H     12.63577460     10.08349257    -15.99135702
  H     15.87767068      5.28844853    -16.13291303
  O     14.60633882      5.19358810    -17.50662931
  H     13.23320080     10.92262746    -14.85240564
  H     14.95049866      7.77083198     -9.95506108
  O     13.44864474      6.09640297    -12.14002784
  H     14.67494748      4.62289224    -18.26890604
  H     14.68802783      6.61810359    -10.95460166
  O     17.48656593      5.22267634    -10.17789411
  H     14.36209113      6.07223039    -17.83813006
  H     14.79448727      8.00906937    -14.37970867
  O     12.78555783      4.36897283    -15.38004509
  H     12.50858127      6.15883261    -11.94432019
  H     13.71412712      8.88268397    -13.68966596
  O     13.91139654      7.72622362    -18.36017977
  H     13.61016040      6.73312852    -12.85605768
  H     15.91106644      9.10930040    -16.25429207
  O     14.08174609      9.32942044     -9.62795460
  H     16.73184582      5.82408973    -10.10241931
  H     14.72455487     10.06920559    -16.55959458
  O     19.30298667      6.67640565    -11.90879980
  H     18.18927597      5.72998804    -10.60035463
  H     10.72146515      6.62235926    -12.95020104
  O     12.09182401      8.20235155    -16.17188161
  H     13.31612125      4.63574227    -16.13884416
  H     10.00285929      6.28690626    -11.62231208
  O     16.94154787      3.13321352    -11.81288776
  H     13.42145068      4.08978318    -14.70950009
  H     10.82520545      9.77142062    -10.79850345
  O     18.52530331      4.71611602    -13.61564585
  H     13.71806176      8.09778009    -19.21664660
  H     11.29310630      8.45667201    -11.45189413
  O     16.36663841      5.36151545    -15.30496775
  H     14.49267308      8.36334016    -17.90365666
  H     14.32291556      4.70647520    -12.87085388
  O     15.36794097      7.01693008    -10.39404250
  H     14.62769596      9.93291127    -10.14701912
  H     15.46727662      3.64861659    -12.82638072
  O     13.89142701      7.99821263    -14.03744305
  H     13.21827085      9.31365596    -10.05784475
  H     11.45943597      5.50801039    -14.84253377
  O     15.37939162      9.48346846    -16.96775742
  H     20.25406757      6.73394476    -11.88167860
  H     11.05599585      6.94283552    -15.21735746
  O     10.71441379      6.80354477    -11.99084963
  H     19.08159199      5.99728658    -12.57171762
  H     16.59476999      7.13061119    -14.99824173
  O     11.59597256      9.32467732    -11.14322739
  H     12.72208743      8.04936677    -15.44962369
  H     16.82116158      8.21495292    -13.89755639
  O     14.81211371      4.06114522    -13.40210497
  H     12.56483175      7.98729765    -16.98343368
  H     14.19497991     10.69573234    -12.49460134
  O     10.85799035      6.22770911    -14.60037945
  H     17.12788127      2.30281102    -11.38338392
  H     12.71930419     10.21403118    -12.35349808
  O     16.54498154      8.07997102    -14.81292785
  H     17.11120151      3.83396829    -11.15770354
  H     16.32543258      9.97323526    -11.73826856
  O     13.38091752     10.52285584    -12.98567699
  H     18.07344328      4.05838847    -13.07228584
  H     16.36094270     11.47927312    -11.39571197
  O     15.77130889     10.73801833    -11.51102259
  H     17.91572195      4.92328765    -14.33571057
  H     17.95687256      7.92362418    -12.00844828
  O     17.11179758      8.38733155    -12.07028842
  H     15.82089475      4.92664067    -14.63247093
  H     16.48652917      7.88383530    -11.52741689
          69
 Energy    -248.19508413279752     
  O     10.39861003     12.85352896    -12.31870507
  H     10.43024461     12.41115814    -13.17625425
  H      9.94168330     11.28695004     -9.62960046
  O     14.22916886      7.74480862    -16.99362523
  H      9.99246879     12.23244707    -11.70367797
  H     13.19632130     13.22413677    -13.10635463
  O     11.12428811      9.06365216    -11.39549963
  H     13.26450606      7.88112640    -17.00547240
  H     12.56957728     12.23366396    -14.13821202
  O     14.55526222      8.47107268    -14.28933236
  H     14.41421890      7.02266289    -17.58730332
  H     14.86363031      8.25158900    -12.47386141
  O     13.05376645     13.78686353     -8.78433909
  H     11.55178501      8.52237036    -10.72079870
  H     14.39692337      9.35173201    -11.51450423
  O     14.46148060     10.60826955    -17.16642423
  H     10.44377650      9.61385636    -10.98450663
  H     13.67766190      7.81220877    -10.34926266
  O     11.75345508      8.86232096    -14.07199363
  H     14.93516524      9.35833906    -14.37939355
  H     13.02177212      6.72769408     -9.46374118
  O     13.01672201      9.88707898     -7.94224195
  H     14.54493328      8.08475361    -15.17321005
  H     16.74018677     12.70314498    -12.26279434
  O     13.33089150     10.79590873    -11.47716628
  H     13.37019676     14.41494069     -8.13861580
  H     18.17888681     12.49208960    -12.78504254
  O     11.03497920     11.77004657     -8.41567333
  H     13.72177384     13.08452510     -8.83910058
  H     11.23309301     10.55717675    -14.48495001
  O     15.58565779     13.68225359    -11.33271750
  H     14.51366632      9.64586279    -17.21765319
  H     11.18319076     11.50480813    -15.70193750
  O      9.39279393     10.96932470    -10.37078846
  H     14.94603338     10.85556744    -16.36844594
  H     14.17828620     11.43865433    -10.07520037
  O     13.39909407     12.50807290    -13.72256638
  H     11.45554576      8.80411222    -13.15452543
  H     15.61403236     11.22141536     -9.54545045
  O     14.85263170      8.49480019    -11.53892923
  H     12.71136072      8.73214712    -14.07486386
  H     16.26993460     11.32274574    -14.02441133
  O     12.94346745      7.63865263     -9.73647497
  H     13.01175792      9.07903196     -8.46893464
  H     14.78866537     11.63014932    -14.32549297
  O     17.34285855     12.04959245    -12.65904440
  H     13.76455070     10.40591084     -8.25930967
  H     12.77555962     11.06812006    -17.36162710
  O     11.05287475     11.47243315    -14.74565676
  H     12.48714274     10.32824710    -11.46131279
  H     11.66746800     11.69159682    -18.24210344
  O     14.79228858     11.70273631     -9.36781928
  H     13.33397446     11.38326415    -12.24165459
  H     17.12166893     10.76519972    -11.21836955
  O     15.53021359     11.05921161    -14.58279997
  H     11.57418881     12.56340073     -8.49901790
  H     16.34616642      9.49872604    -10.80511386
  O     11.81374948     11.20240807    -17.43694472
  H     11.64327543     11.06401174     -8.15113618
  H     12.76800347     14.15558379    -10.65260644
  O     16.83869255     10.25068534    -10.45219038
  H     14.71741773     14.03229166    -11.56084550
  H     11.84821735     13.80572561    -11.83677617
  O     12.71784840     14.17862652    -11.61521495
  H     15.42818971     13.10334054    -10.57713232
  H     11.51581409      9.29877610    -17.15020814
  O     11.59223969      8.38911961    -16.83692439
  H      8.48642067     10.99629124    -10.07694275
  H     11.47581131      8.43505059    -15.87736061
          69
 Energy    -248.19506480027846     
  O     -3.98014480      4.73528781      4.01240960
  H     -3.53194266      4.50226272      3.18002310
  H     -0.75695168      3.57541846     -2.10990118
  O      1.36378724      1.82542906     -0.08043169
  H     -4.00145009      5.68784874      4.05313639
  H     -5.51928708      2.12060624      4.79753431
  O     -1.13469905     -0.15146504      3.04075386
  H      2.28548862      1.88880862     -0.31714794
  H     -5.47574437      3.53611984      4.20974156
  O     -5.50212867      1.04301592      0.61606260
  H      0.85844486      2.20591942     -0.82006050
  H     -8.36291492      1.49269625      2.61977025
  O     -3.58086330     -1.53137766     -2.13587538
  H     -0.64021805      0.46827013      3.58981629
  H     -6.98850139      1.83533686      3.24140240
  O     -0.35061173     -0.37380954      0.39262836
  H     -1.96014859      0.29879866      2.80014216
  H     -3.03077225      3.65096109      0.92290983
  O     -4.84305057     -1.83940830      5.05966452
  H     -6.25073914      1.15522294      1.21604936
  H     -1.72057618      3.74508405      1.79829966
  O     -6.36795483     -1.40275624      2.86001095
  H     -5.39322763      0.09594623      0.45567933
  H     -4.50423834      2.40036086     -0.21468608
  O     -2.29827069      2.90836680      5.48087490
  H     -2.83566177     -1.99641606     -1.71072393
  H     -3.14518626      2.23111720     -0.87979908
  O     -2.12084498      0.79613248     -1.43994416
  H     -3.69988281     -1.92448601     -2.99614309
  H     -3.19203813     -2.29045467      4.26155621
  O     -3.23554554     -3.60746237      1.38902909
  H     -0.57448949     -0.34375503      1.33333015
  H     -1.90898024     -1.73744148      3.57963779
  O     -0.27412191      2.75251618     -2.06043797
  H      0.34794460      0.27626554      0.25033279
  H      0.49870422      2.79889572      1.32762369
  O     -6.06513707      2.78742316      4.35711355
  H     -5.41425722     -1.72497966      4.27860162
  H      0.10539478      2.85576894      2.82397773
  O     -7.44451429      1.23722835      2.62244031
  H     -5.32407707     -2.38485709      5.67620852
  H     -0.77629111      2.33621749      4.87838908
  O     -2.68227519      3.86393855      1.80121466
  H     -6.02393273     -1.56876762      1.97489585
  H      0.70132282      1.99450439      5.17732135
  O     -3.74322931      2.90582970     -0.53201761
  H     -6.80502336     -0.54237679      2.82549907
  H     -4.39030596     -0.04391200      5.25314013
  O     -2.43678174     -2.53626064      3.71350574
  H     -2.80699292      3.62522538      5.08498109
  H     -3.93611929      0.99085945      4.19342221
  O     -0.02312693      3.29028555      1.97135374
  H     -2.91553135      2.16700638      5.55613842
  H     -4.68016380     -1.62701571     -0.59245641
  O      0.03744844      1.96230015      4.49393588
  H     -1.58139485      0.39294464     -0.74486402
  H     -4.42606505     -2.34379681      0.73736041
  O     -4.17998430      0.88759095      5.12751520
  H     -2.68253266      0.09708229     -1.79230817
  H     -2.03933227     -3.06451443      0.03759606
  O     -5.00912221     -1.69918537      0.31295966
  H     -2.91509791     -3.25350224      2.23778905
  H     -1.02321013     -1.96062089     -0.34044194
  O     -1.58189294     -2.65796192     -0.70979768
  H     -3.42865949     -4.53023421      1.53148412
  H     -3.10359053      2.14657487      2.32322683
  O     -3.41312115      1.24513200      2.48365672
  H     -0.94791823      2.05645006     -1.99784265
  H     -4.11603636      1.08626115      1.84334361
          69
 Energy    -248.19490140072276     
  O     -2.06284648      1.50100714      1.83697424
  H     -1.12295796      1.62993454      1.66335865
  H     -0.88014371     -2.26679922     -1.64902941
  O     -2.90727811     -2.66365679      7.71902668
  H     -2.33757419      0.79836677      1.23569202
  H     -2.21324208     -5.87516018     -1.02639055
  O      1.60019863      0.39193789      3.45421804
  H     -3.01714187     -2.49192837      8.65014534
  H     -1.80731603     -4.38855856     -0.88563467
  O     -3.14150840      0.08553523      3.95463153
  H     -3.41343940     -1.97941103      7.24456520
  H      2.65815835     -2.18748063      2.32840051
  O      1.69075706     -3.95573259      4.76949543
  H      2.20903251     -0.35534046      3.43248173
  H      4.02278141     -2.11156935      3.05351318
  O     -4.13254205     -4.55526860      5.93590453
  H      0.84994670      0.10341182      3.99351435
  H      0.10620443     -2.26891414      1.89508665
  O     -0.75781980     -3.16522950      5.99652240
  H     -3.55635490     -0.62616589      3.44837759
  H     -0.66167174     -1.65195255      3.10696463
  O      0.69608157     -6.09578922      3.46498561
  H     -2.81521428      0.73196227      3.31213969
  H     -2.47347494     -4.60851676      1.23869662
  O     -5.87259100     -2.86281190      4.70338360
  H      0.99247428     -3.56803723      5.31166572
  H     -1.88983638     -3.50547733      2.16458876
  O      0.75075593      1.55566474      1.17629943
  H      2.15729181     -3.23461123      4.33132420
  H      1.38852342     -3.39206127      0.75272475
  O      0.71542583     -5.01747319      0.80871688
  H     -3.39140202     -4.96009664      5.46759076
  H      1.24334137     -1.88871136      0.27251262
  O     -1.69994242     -2.74534396     -1.50268602
  H     -3.74201894     -4.03406680      6.64847996
  H     -5.01844177     -2.25279676      3.15474468
  O     -1.86401490     -5.23625295     -0.41080094
  H     -1.39306205     -2.99534058      6.70370145
  H     -3.84418437     -2.81216541      2.33192542
  O      3.08284623     -2.01691158      3.18760793
  H     -1.14047240     -3.86783866      5.45219070
  H     -0.65932907     -1.54673778      5.21815247
  O     -0.76637343     -2.14762101      2.28554260
  H      1.11661480     -5.34719881      3.92723111
  H     -1.50155888     -0.41080079      4.54547058
  O     -2.62048241     -4.13887399      2.06770616
  H      1.19826758     -6.87418180      3.69258972
  H      0.47496991      0.19062559     -0.05434550
  O      1.66612469     -2.47506233      0.91270565
  H     -6.76712132     -3.16678988      4.83232909
  H     -0.78134312     -0.60902063     -0.37493030
  O     -4.37752129     -2.01579339      2.47264578
  H     -5.28853741     -3.53147953      5.10455564
  H     -3.40628838     -1.22928330      0.97998484
  O     -0.60453170     -0.74915816      4.67450308
  H      1.09046010      1.15894955      1.99884846
  H     -1.88625285     -1.34164347      1.14725363
  O      0.16542173     -0.58246478     -0.54929402
  H      1.20819317      2.38465348      1.06248290
  H     -5.02709074     -1.49699499      5.77697601
  O     -2.57349252     -1.01317872      0.54205471
  H      0.68302993     -5.43449499      1.67890533
  H     -3.96466384     -0.40894790      5.55670856
  O     -4.39142892     -0.93955694      6.24254962
  H     -0.12656933     -5.20695086      0.37949392
  H     -2.21611361     -4.92188077      3.62124000
  O     -1.83422153     -5.26264199      4.44382782
  H     -2.20735891     -2.19111434     -0.89267629
  H     -1.01694935     -5.70315021      4.18225238
          69
 Energy    -248.19465402729540     
  O     13.13982799     10.12894012    -15.78580320
  H     13.13420431      9.81047474    -14.86250088
  H     17.87162906     10.20731007    -18.02610103
  O     17.06342718      5.78183677    -13.60062052
  H     12.34865640     10.64546345    -15.90653545
  H     15.80078413      7.84119240    -15.60588669
  O     18.44075961      9.86346513    -12.59229392
  H     16.92451210      6.64149639    -14.02634013
  H     17.36021823      8.00566426    -15.58861894
  O     19.58835943     10.32969641    -17.23594490
  H     16.79338245      5.11602771    -14.24425958
  H     14.14520681      9.40054921    -12.85896965
  O     13.76848233      5.49553828    -15.02873451
  H     17.48688196      9.70821562    -12.54387972
  H     13.11768025      8.26708486    -13.05197117
  O     16.32015260     10.66327229     -9.53371717
  H     18.74132091      9.90290369    -11.67755698
  H     17.13707437      6.89961607    -10.34075195
  O     15.57927399      6.67178088    -11.42528807
  H     19.29334215     10.74583379    -16.40484396
  H     18.59079060      6.52091967    -10.67583014
  O     17.32496799      5.84864603    -17.53727559
  H     20.39604399     10.76641828    -17.49024986
  H     12.21595066      5.98250699    -12.33937422
  O     19.01376221      7.71573507    -16.34762262
  H     14.52187497      4.93635892    -15.24749535
  H     13.28339094      6.04104127    -13.45706323
  O     16.22001192      4.17593542    -15.72141111
  H     13.81825367      6.24303160    -15.64201455
  H     18.62652883     10.95126277    -14.11135354
  O     19.98035615      7.83620060    -13.80367245
  H     16.03378634     10.68935729     -8.62385919
  H     17.60038266     11.40207497    -15.16349263
  O     16.92538206     10.08595152    -18.16916134
  H     17.24729206     10.38063572     -9.51497273
  H     19.73688540      4.72621482    -12.18311323
  O     16.55731608      8.07659286    -15.05154106
  H     14.65047777      6.55035705    -11.65871180
  H     18.56445442      5.59988753    -12.69094918
  O     13.31051337      9.17925846    -13.29572367
  H     16.08008351      6.27397492    -12.15246117
  H     18.61630059      8.66494369     -9.83770761
  O     18.05217553      7.04443520    -10.06865498
  H     16.80769548      6.42084860    -18.11542591
  H     19.73147382      9.60093356     -9.30684333
  O     13.02833216      6.41227209    -12.59281152
  H     18.02925425      6.40667913    -17.17703970
  H     16.22288275      8.62548815    -18.74939937
  O     18.54751203     11.38619734    -14.97010525
  H     19.27671754      8.55175263    -16.75036645
  H     15.59633737      7.83191571    -19.92139184
  O     19.36043545      5.60089508    -12.13025841
  H     19.44125595      7.68218810    -15.47707137
  H     15.81213167      9.91893630    -11.11140831
  O     18.90401026      9.59494594     -9.77958621
  H     16.33111858      3.27947251    -16.02519415
  H     15.71218206      8.49305059    -11.73263437
  O     15.78241725      7.78893441    -18.98765611
  H     16.60797052      4.75231245    -16.40544693
  H     16.14653545      9.87315176    -15.26541221
  O     15.73551045      9.43592076    -11.94678924
  H     19.46422591      8.54492657    -13.39475272
  H     14.93319771     10.73494718    -15.67127715
  O     15.89522583     10.74072396    -15.61758994
  H     19.93703942      7.09080294    -13.19540077
  H     13.81178942      8.53397922    -16.48348962
  O     14.24712594      7.68820461    -16.65190567
  H     16.50151676     10.39999666    -17.35938625
  H     14.65401140      7.72305054    -17.52689362
          69
 Energy    -248.19464862216262     
  O     11.89544555      9.11350386    -15.23381682
  H     12.21645964     10.00660654    -15.40891601
  H     16.01810649      5.62740885    -14.24853300
  O     15.78784624      6.62955734    -12.74739712
  H     12.10206275      8.55933664    -16.00247174
  H     16.22164063     11.39790171    -16.23020104
  O     16.31289628     10.93344160    -11.37132326
  H     16.46990936      7.25350014    -12.46407156
  H     15.44139312     10.32305489    -17.00869990
  O     17.90423169     11.49901227    -15.38037232
  H     15.12371358      6.59691896    -12.04721218
  H     13.65948251      8.40903173    -14.58267223
  O     13.16299174      5.11014505    -15.49022668
  H     15.87905825     10.67759055    -10.54531382
  H     14.92496508      7.77221104    -13.89060708
  O     14.75360188      9.95243183     -9.32393367
  H     15.60639833     11.02171688    -12.02880680
  H      9.70535868      8.53701375    -13.00629884
  O     13.78103499      6.81518452    -10.84916259
  H     18.60487966     11.90768711    -15.88426914
  H     11.02290850      8.70744086    -13.80350721
  O     14.24909447     10.87265886    -13.17556752
  H     17.94847774     11.88296355    -14.48837097
  H     18.70376521      6.62145078     -9.63937233
  O     17.69923437      6.82977455    -16.58205315
  H     12.73111157      4.27587549    -15.65796042
  H     17.92146239      7.66481970    -10.45191789
  O     15.40052082      7.23793177     -8.58420456
  H     12.83512797      5.42012501    -14.62787300
  H     12.75095826      6.11809847    -12.28413781
  O     18.38864956      8.77703054    -14.58144204
  H     13.94458782      9.82904547     -9.83689267
  H     11.58954369      6.76412619    -13.05173750
  O     16.00122173      5.28545128    -15.15421386
  H     14.98062042      9.08123577     -8.97830628
  H     18.51315839     13.11716793    -12.28765051
  O     15.39688754     11.24058214    -16.70547691
  H     14.26656648      6.83578559    -10.01551157
  H     17.47619320     11.98614156    -12.22754176
  O     14.60915141      8.49988404    -14.44053324
  H     13.44581063      7.71267387    -10.99262092
  H     18.00981746      8.61868919    -12.87418520
  O     10.65033303      8.42588624    -12.94785327
  H     14.52084405     10.05142836    -13.61732032
  H     17.21802382      9.37656556    -11.76073447
  O     17.91983236      7.16413620     -9.61950661
  H     13.79175880     11.38331146    -13.85158121
  H     15.23722004      8.50346375    -16.12388056
  O     12.24263249      6.05631004    -13.10246363
  H     18.31530544      6.28484625    -17.06347678
  H     16.27754041      7.94045315    -17.10754781
  O     18.04173482     12.49249076    -12.83259284
  H     17.11340749      6.22368152    -16.09201903
  H     11.93490033      9.11931226    -11.74821654
  O     17.65465856      8.54214145    -11.97514797
  H     15.41019670      6.92218106     -7.68440230
  H     13.22302908      9.95263739    -11.93237842
  O     15.48126674      8.48185512    -17.06393210
  H     16.31511495      7.18237273     -8.91160268
  H     13.85909980     11.58280553    -16.01719575
  O     12.75148756      9.38467405    -11.30735783
  H     18.19546641      8.14053085    -15.27933510
  H     12.61366218     12.49776873    -15.94279073
  O     13.00517513     11.71555134    -15.56472679
  H     18.20970836      9.65374570    -14.94117812
  H     12.95500147      6.58339554    -16.66619748
  O     12.85310419      7.42284664    -17.13324482
  H     15.06774296      5.16612227    -15.36400910
  H     13.74806229      7.74003209    -17.31398383
          69
 Energy    -248.19455011306545     
  O     12.03319733     10.90405510    -14.40833727
  H     12.45772975     11.64820880    -13.96650169
  H     19.51908616      8.40655822    -13.17769291
  O     16.33896458      6.75810859    -13.38434483
  H     12.63122402     10.63889064    -15.12145018
  H     14.89229656     11.81810747    -15.74206095
  O     17.54579499     10.32750078    -10.92860112
  H     16.02985521      6.29454191    -14.17087752
  H     16.17840940     12.57862602    -15.31521139
  O     18.04775810     12.37868443    -15.24186394
  H     16.04297993      7.67686813    -13.50981541
  H     15.53660119      9.98617700    -13.17944351
  O     14.70155674      8.56826764     -8.50321440
  H     16.65831770     10.63054849    -11.17085802
  H     16.45359449      9.54099962    -14.39157063
  O     14.39000583      6.35099263    -11.46247622
  H     17.52954909     10.16172696     -9.97806459
  H     10.34864041      8.75635469    -12.85928976
  O     15.01027693     10.97360771    -11.73785228
  H     18.42875794     12.14079144    -14.37761563
  H     11.51935611      9.56474182    -13.46597770
  O     15.81955925      8.26273739    -17.24450457
  H     18.62068791     13.03891704    -15.62338540
  H     17.85182203      7.82366429     -8.82607463
  O     15.49760299      5.83894758     -8.94036764
  H     14.12232186      8.78841455     -9.24342430
  H     18.23915848      7.13854366    -10.15119582
  O     17.83385042      9.59445023    -15.60573249
  H     14.84189992      7.61406897     -8.54990168
  H     13.26702109      6.34227197    -12.99690151
  O     14.85812094      6.02068758    -15.65167088
  H     14.72946813      6.04961257    -10.61140628
  H     12.29283557      7.31961966    -13.66301783
  O     19.99130341      8.85006457    -13.90280350
  H     15.14402734      6.41331103    -12.06651069
  H     19.60116415     10.63110765    -13.25194293
  O     15.21558451     12.62661802    -15.32150491
  H     14.37936976     10.30214758    -11.43800507
  H     18.63991436     11.17129153    -12.17860064
  O     15.67298492      9.32004848    -13.86331264
  H     14.51508257     11.70413871    -12.12815447
  H     17.72029340      7.37607802    -12.41329655
  O     11.29994550      8.79804172    -12.90673865
  H     16.58802986      8.62485335    -16.78549633
  H     18.03871290      8.68791113    -11.61168546
  O     17.95132484      6.96018614     -9.24700766
  H     15.53810839      7.49288127    -16.73434074
  H     16.28830691      9.27141804     -8.30931622
  O     12.87051702      6.57076085    -13.84805498
  H     15.53285566      5.08780542     -8.35455820
  H     17.33837681      9.97370786     -7.41405998
  O     19.15375057     11.43266046    -12.95430455
  H     16.41176197      6.15793433     -9.04680757
  H     12.55892567      8.92638022    -11.53734649
  O     18.40556965      7.84217618    -11.91188899
  H     17.93792294     10.55342394    -15.66434831
  H     13.74671829      8.02645342    -11.15097642
  O     17.22148379      9.54785382     -8.25877996
  H     18.60740839      9.26200176    -15.13331487
  H     13.39256790     13.85661783    -13.03772765
  O     13.34672615      8.89210257    -10.98060785
  H     14.09679762      6.25336981    -15.09059584
  H     14.22651098     12.92193977    -13.95001077
  O     13.64010227     12.94589156    -13.17053323
  H     14.61033700      5.23144781    -16.12674615
  H     14.56400058      9.55298750    -16.70837477
  O     14.14626122     10.11262133    -16.04184429
  H     20.82587789      8.40008742    -14.00400565
  H     14.52447640      9.79581779    -15.20741783
          69
 Energy    -248.19440425405307     
  O     10.24394763      6.20964663    -12.96732507
  H     10.63452694      7.08584157    -13.07332245
  H     16.33971873      5.69960938    -13.55078929
  O     12.87059689      4.81528946     -8.24844683
  H     10.77099243      5.61585671    -13.51318679
  H     14.63411522      6.18924912    -12.39143989
  O     17.10794230      8.65792701    -12.81082266
  H     13.79068030      5.00655039     -8.47258156
  H     13.59436056      5.16620988    -11.85121480
  O     16.92251385      7.60196725     -9.29585469
  H     12.40668969      5.66176921     -8.24200995
  H     10.41036071      4.64704367    -10.24761478
  O     12.43853143     11.07880838    -14.10203993
  H     16.50061547      8.93804594    -12.10871636
  H     10.01797016      5.76385564    -11.24598847
  O     11.28519206      7.17462427     -8.60474657
  H     17.05180407      9.31158936    -13.51906261
  H     15.76526402     10.15410312    -15.22661110
  O     13.36585620      7.00270695    -14.95792593
  H     16.44062235      8.34367300     -9.68350956
  H     17.04397091     10.98336883    -15.49299177
  O     14.89844091     11.51206616    -12.66487739
  H     17.60825780      7.36399995     -9.93192577
  H     12.33496057      8.00410985     -9.88511925
  O     17.40976033      4.57532884    -12.67631777
  H     12.11973037     10.23060557    -13.74794087
  H     13.24480894      7.41433375    -10.99430714
  O     15.74604782      3.06157721    -10.85237288
  H     11.66858266     11.62126212    -14.25089015
  H     19.61527255      7.06933254    -11.49454149
  O     15.38200395      5.34262940     -9.37702803
  H     10.68141119      7.55927322     -7.97541772
  H     18.22843994      7.53207895    -11.99282948
  O     15.76221062      6.44219733    -13.78070783
  H     10.75303846      6.62299254     -9.20886193
  H     15.21412261     10.30808337    -11.34342517
  O     14.01529343      6.01441308    -11.67001701
  H     14.26057916      6.79962099    -14.64324317
  H     14.49739359      9.10873905    -10.68310238
  O     10.01528943      5.52292284    -10.30748018
  H     12.88598059      6.16735727    -14.92990221
  H     13.56324540     10.16668378    -15.33951168
  O     16.57263879     10.50979480    -14.81323491
  H     15.52837182     11.34115632    -13.37487762
  H     13.89314583      8.69718472    -15.67774732
  O     12.87897507      8.24334321    -10.64460108
  H     14.02821144     11.46003970    -13.07915884
  H     11.19579784      2.40038052     -9.41879052
  O     18.68437713      6.86216103    -11.45499760
  H     17.90091478      5.22069679    -12.15112468
  H     12.05708132      3.67874386     -9.26572035
  O     15.36879160      9.49918801    -10.83236341
  H     16.93608744      4.00857287    -12.05708809
  H     12.41294246      8.04081065    -13.75161922
  O     14.20939748      9.60270149    -15.78420507
  H     15.68638305      3.80484232    -10.22743263
  H     12.16540704      8.52894831    -12.28205890
  O     11.58293568      3.12031615     -9.90960768
  H     16.07525405      2.31462263    -10.35807646
  H     11.78513519      3.83121574    -15.06394257
  O     11.83766536      8.58253393    -13.19171220
  H     15.96734535      6.08358611     -9.16845815
  H     12.47859587      4.02772244    -13.70056005
  O     12.06346273      4.49857467    -14.44040265
  H     14.89169660      5.62224504    -10.16548740
  H     12.58448970      3.22427079    -11.41489993
  O     13.20018473      3.39125560    -12.14400764
  H     16.23030400      7.24997328    -13.53085826
  H     14.08078770      3.15321854    -11.82671868
          69
 Energy    -248.19436913034258     
  O     11.22312674      8.71265397    -12.54714440
  H     11.37887067      9.45971104    -11.95881427
  H     18.69584590     10.94892970    -13.44673434
  O     16.86664401      8.79099095    -14.99953580
  H     11.43989367      9.02869034    -13.43611617
  H     13.63236081     12.88750272    -13.05991840
  O     16.98024899     10.73602965    -10.57529606
  H     16.75712445      7.95585150    -14.52031452
  H     12.32662291     12.70307166    -13.83898854
  O     15.37757439     12.67626484    -13.68273529
  H     17.64806176      9.23538704    -14.65034474
  H     14.90557277     10.91998773    -13.65972786
  O     13.18654571      7.95850326    -16.85191476
  H     16.06902553     10.41625793    -10.60763484
  H     15.44246725      9.53049189    -14.10353080
  O     17.21834562      6.30828603     -9.96872562
  H     17.50340449     10.03901649    -10.16157673
  H     11.93971702      7.13654064    -12.44170669
  O     16.39242044      6.55163466    -13.50392687
  H     16.29527020     12.64323607    -13.39559053
  H     11.71583803      5.61880234    -12.25110931
  O     14.41344923      9.69630934    -10.94868300
  H     15.34178709     12.63653178    -14.65294173
  H     19.50985311      8.80745639    -12.66243813
  O     18.72557512      5.57181426    -12.31164392
  H     13.46743103      7.25665485    -16.24342548
  H     19.38992798      8.37206283    -11.18267477
  O     14.83679738     12.23390968    -16.31563953
  H     13.97829352      8.45433487    -17.08888346
  H     13.34510049      6.15608530    -14.11079360
  O     15.55026949      9.59922958    -17.27222783
  H     16.32086132      6.44996395    -10.30158310
  H     14.82450568      6.15747120    -14.51880810
  O     19.06711667     10.18658434    -13.91896109
  H     17.70664425      5.88463853    -10.68483102
  H     18.35100316     13.05744972    -12.11378832
  O     12.68003227     12.76778829    -12.94385267
  H     17.18502216      6.09915261    -13.19171204
  H     17.58407214     11.75257690    -11.78038098
  O     14.72151678      9.97031397    -13.63850854
  H     15.85763607      6.74577298    -12.72064840
  H     18.02868977      7.80188198     -9.60458577
  O     12.38821189      6.27217046    -12.42499896
  H     13.57387791     10.13339337    -10.76615277
  H     18.93951631      8.61384661     -8.65509247
  O     19.70673537      8.08965065    -12.05077615
  H     14.52151407      9.73436093    -11.91350896
  H     11.25303519     12.39887577    -16.23001803
  O     13.92950922      6.15193725    -14.87807783
  H     19.15071477      6.44736241    -12.26272904
  H     12.02015670     11.29409982    -15.46628658
  O     17.95333641     12.28680490    -12.51039651
  H     19.41673225      4.93469789    -12.46814192
  H     14.66817473      7.90444299    -11.01350631
  O     18.53161745      8.63160280     -9.51678354
  H     13.87563805     12.28993804    -16.23566668
  H     13.97179247      6.63207774    -11.55804497
  O     12.02219309     12.24238669    -15.68873375
  H     15.02971113     11.36703105    -16.69234706
  H     11.39070570     11.48995344    -10.36060599
  O     14.81325992      6.97210106    -11.22740249
  H     16.07770146      9.44201943    -18.05228242
  H     12.17544915     11.67142297    -11.67914084
  O     11.93663918     11.02609973    -10.98962327
  H     16.06527543      9.26862823    -16.51746172
  H     12.45210944      9.03389001    -15.66075735
  O     12.27945299      9.65373943    -14.93678716
  H     19.77576139     10.52084288    -14.46481269
  H     13.11247957      9.74410401    -14.45072177
          69
 Energy    -248.19432174137859     
  O     13.85510883     10.07740396     -9.09298545
  H     14.10393835     10.97069730     -8.82645047
  H     11.44621805      4.78389439    -15.65731971
  O     17.28698191     12.91693378    -11.93096846
  H     14.65025218      9.65726729     -9.45141519
  H     11.09614720      8.69020043    -11.03914238
  O     12.36922731     10.63648387    -15.65285895
  H     17.32950763     12.35043561    -11.13933713
  H     10.86490398      7.14839278    -11.31440754
  O      9.17779600      8.50031188    -13.19625309
  H     18.07125713     13.45849528    -11.92706920
  H     13.90453518      6.60770629    -12.18360254
  O     13.36106154     11.80983285    -13.24579185
  H     11.98996697      9.78095641    -15.38811433
  H     14.50341115      5.81227135    -10.99824614
  O     16.04085534     11.17835430    -13.71753215
  H     11.79612983     10.99280027    -16.32720174
  H     15.46096740     13.44847660    -11.58076434
  O     14.79274115     12.66736417     -8.70158690
  H      8.22586526      8.46761199    -13.14910226
  H     14.00980752     13.06936040    -11.94584180
  O     16.12110457      8.75846929    -10.10272001
  H      9.49533184      8.30814842    -12.30050204
  H     14.17562401     10.06461356    -16.00233092
  O     14.40519400      5.35804757    -14.66384074
  H     12.91397189     11.54061276    -14.05691851
  H     15.52015971     10.40521335    -15.34763988
  O     17.15966841     11.37761837     -9.70392368
  H     14.29364766     11.58452644    -13.38176499
  H     14.03841031      6.71788033     -9.03868843
  O     13.48777915      8.24153213    -12.85987282
  H     16.56659064     11.79715314    -13.19683929
  H     15.13159904      5.75109667     -8.52333274
  O     11.74165862      5.50908907    -15.11408345
  H     16.19746762     10.29350517    -13.35720065
  H     12.29401385      5.48328942    -11.98402615
  O     10.54164976      7.92485450    -10.82654030
  H     14.63083103     13.01640197     -9.59675516
  H     11.32164885      5.56290323    -13.16463279
  O     14.16028809      5.71744243    -11.89329708
  H     14.62919412     13.38109314     -8.09154865
  H     16.92694821      7.23789861    -16.12372147
  O     14.54730095     13.50444752    -11.27286471
  H     15.85281197      7.89615867     -9.76081550
  H     15.80703113      8.22562537    -15.72766209
  O     15.10830669      9.82183056    -15.99984982
  H     16.24973117      8.65034312    -11.05546169
  H     11.47011832      7.30803096    -15.03653083
  O     14.91613954      6.34357324     -9.23865629
  H     15.03891770      6.02045296    -14.96350335
  H     10.60100128      8.34632163    -14.26145121
  O     11.37231028      5.66775632    -12.20873769
  H     14.46925582      5.33098181    -13.69890940
  H     12.88071795      8.50261304     -8.71500381
  O     16.25254658      7.39926788    -15.46877304
  H     16.93621444     10.44038397     -9.76962277
  H     11.77148495      7.61627391     -9.32811539
  O     11.41058578      8.23836569    -14.78375278
  H     16.44205688     11.79512783     -9.21097538
  H     15.21722578      8.47868907    -12.89007652
  O     12.55932155      7.59239501     -8.77296039
  H     12.84615871      8.15460387    -13.57398172
  H     16.47081825      8.05829545    -13.66458219
  O     16.18729855      8.54195595    -12.88083849
  H     13.10861233      8.88171816    -12.24320435
  H     12.54015658     10.79993185    -11.94442279
  O     12.24267461     10.12261792    -11.32232437
  H     12.70632195      5.41190621    -15.01641393
  H     12.76973448     10.21060776    -10.51544038
          69
 Energy    -248.19395026545754     
  O     10.18234368     10.98413437     -8.54751611
  H     10.45306365     11.38716622     -9.39061388
  H     13.79438587     11.15876586    -14.04676588
  O     12.79461542      9.00474746    -15.64855597
  H      9.33245546     11.35618099     -8.32491261
  H     17.06830509      9.27192154     -9.79750518
  O     10.72196426      8.37096940     -9.64351154
  H     12.94951772      9.95050327    -15.54811221
  H     16.51874174      8.20002092    -10.78418539
  O     13.57795807      7.66717667    -13.34312535
  H     11.83882508      8.88703666    -15.57361635
  H     15.35327580      5.95326222    -11.21320956
  O     13.72976653     14.06875228     -8.35080395
  H     11.65332555      8.22957003     -9.42027098
  H     14.64021085      7.06126369    -12.01657369
  O     11.12903594      8.48353832    -12.33321049
  H     10.46069349      9.17733005     -9.18430625
  H     14.35173870     14.94170200    -13.62372471
  O     14.50721525      9.62863599     -7.13838017
  H     13.43405905      7.96227852    -14.25417440
  H     13.69324268     14.17360035    -12.45847341
  O     13.70204237     10.80269194    -10.58410711
  H     12.74423344      7.84988968    -12.88300481
  H     14.04876328      7.72272078     -9.92244721
  O     12.62169893     11.66049367     -7.17404255
  H     14.08743259     14.72611656     -7.75902169
  H     13.54816926      9.18255686     -9.77880228
  O     16.52145481     12.99310266    -11.85351890
  H     14.48009335     13.52415491     -8.64964284
  H     18.32589318     10.25441168    -13.28523223
  O     11.20857808     11.93983282    -10.88457170
  H     11.12706366      9.43062318    -12.52152197
  H     17.49855156      9.90874709    -12.01992627
  O     13.20570653     11.74572908    -14.54754551
  H     10.90296556      8.38063894    -11.39720825
  H     10.31275914     10.50572912    -14.08036661
  O     17.18380875      8.88924791    -10.67646566
  H     13.86627402     10.34932560     -7.04869655
  H     11.58565489     11.37046560    -13.88110722
  O     15.16032501      6.88828473    -11.21495754
  H     14.12300563      9.01276953     -7.77575964
  H     16.03695385     12.67330050    -10.19738059
  O     14.22812099     14.06590729    -13.26537997
  H     14.11327690     10.61950065    -11.44008657
  H     16.18088538     11.73771128     -8.93876918
  O     13.49741254      8.29832578     -9.38220357
  H     14.31121292     11.36689579    -10.09203494
  H     15.75459987     10.18156917    -13.05908076
  O     17.52904876     10.47669092    -12.81254740
  H     12.86988022     12.51579891     -7.54212864
  H     14.49961453      9.23326104    -13.14841688
  O     10.76164506     11.08526961    -13.45659679
  H     11.77105565     11.42889569     -7.56514411
  H     10.31056964      8.39235970    -13.97816690
  O     15.64675425     12.43145621     -9.34269058
  H     15.80253013     13.29856821    -12.41988362
  H      9.26730977      8.16773574    -15.09454615
  O     14.79090859     10.14552478    -13.02674343
  H     16.91341679     12.21973538    -12.27595433
  H     16.05710828      9.97689020     -7.74200708
  O     10.03845353      8.68029677    -14.86597444
  H     12.08028495     11.52790296    -10.76640975
  H     17.57540247     10.17043077     -7.50450404
  O     16.90066589     10.20370682     -8.17700650
  H     10.91103084     11.73227269    -11.78015323
  H     12.07083068     13.58962198    -10.98701724
  O     12.72907951     14.29657943    -11.00730477
  H     13.47503406     12.63256920    -14.27936655
  H     13.05861855     14.35926970    -10.10290781
          69
 Ord_Energy   -248.193863    
 O   -4.95090246       4.80885983       7.47955418    
 H   -5.18954468       4.26086617       8.23734951    
 H   -5.21864986       4.29922342       6.70070696    
 O   -4.10466623       1.37420750       7.27475023    
 H   -4.59230089       1.84325969       6.58231688    
 H   -4.37199402      0.443936914       7.28606749    
 O   -3.62895823       2.84607553       3.24711990    
 H   -3.58281779       3.33166242       2.42746329    
 H   -2.84627914       3.10024667       3.76576924    
 O   -5.31115055       2.67793870       9.34879684    
 H   -4.79304075       2.23743391       8.65389919    
 H   -4.80037594       2.58620095       10.1598215    
 O   -7.54792261       1.23268020       8.65688896    
 H   -6.82012463       1.81443906       8.93301487    
 H   -8.35743618       1.66207528       8.92410564    
 O   -1.59544647       2.66547370       9.42966747    
 H   -1.27926946       1.83617759       9.04434013    
 H   -2.21360135       2.44640946       10.1345272    
 O    1.09486091       3.67562962       5.70000315    
 H    1.42476392       3.00653934       6.31085157    
 H   0.936377943       4.46279192       6.23743963    
 O   -1.51793897       3.43566942       4.91216612    
 H  -0.554981053       3.50228810       4.98938227    
 H   -1.87193561       3.81295300       5.73066521    
 O  -0.442678481      0.421509445       8.18701744    
 H  -0.838839769      0.471335828       7.30335617    
 H   0.445627868      0.788634777       8.10448551    
 O   -3.68029809       5.08313999E-02   3.87206340    
 H   -3.73523164      0.937489390       3.49716902    
 H   -2.95300174       9.75340232E-02   4.50623989    
 O   -1.81892836      0.823365450       5.85918331    
 H   -1.57107568       1.66710329       5.45978355    
 H   -2.59654856       1.01710141       6.40695000    
 O   -3.52993631       2.05221605       11.4441118    
 H   -3.43120456       2.32652283       12.3525362    
 H   -3.70042801       1.09568954       11.4531651    
 O   -2.23145914       4.49173737       7.39894056    
 H   -3.17253232       4.71502113       7.42394304    
 H   -2.07067657       3.83048773       8.08611393    
 O   -6.26568460      -1.15163326       9.51671505    
 H   -6.78809309     -0.365464270       9.31054401    
 H   -5.63424969     -0.898693860       10.1998024    
 O   -2.45176840      -1.27398825       9.22483635    
 H   -1.68177712     -0.792301655       8.89900112    
 H   -3.04971814      -1.40210092       8.47597027    
 O    1.94268167       1.90624058       7.85868025    
 H    1.67926610       2.61771107       8.46952534    
 H    2.85961413       1.71480870       8.03820038    
 O   -7.26414585      0.978379250       5.76415730    
 H   -6.87358189      0.137579963       5.49552727    
 H   -7.39688826      0.941804349       6.71876049    
 O   0.936156154       3.89585876       9.42004204    
 H    5.86824082E-02   3.52495480       9.58936977    
 H   0.788107455       4.66058159       8.84935665    
 O   -5.80386543      -1.31482041       4.85390806    
 H   -5.05659914     -0.846787989       4.43866587    
 H   -6.08063173      -1.99081552       4.24133444    
 O   -5.45406532       2.98193431       5.41866827    
 H   -6.18300009       2.34300590       5.38727808    
 H   -4.96435642       2.94393015       4.58978605    
 O   -4.58085394      -1.35144866       7.37072325    
 H   -5.01909685      -1.51012075       6.52678967    
 H   -5.24640560      -1.41310561       8.07397461    
 O   -4.00471306     -0.651285529       11.3135557    
 H   -3.40556312     -0.897555888       10.5831823    
 H   -3.96534181      -1.36182010       11.9486885    
 O   0.185843274       5.78872824       7.43156672    
 H   0.110733911       6.73421860       7.33414125    
 H  -0.719449937       5.43253803       7.41165257    
          69
 Energy    -248.19382333825612     
  O     13.50665832     12.58323354    -13.98250591
  H     14.45478851     12.74636298    -13.96374226
  H     12.68367124      7.56733496    -16.61143498
  O     14.60889214      6.92113016    -14.24756198
  H     13.32005340     12.13801789    -14.82240991
  H     17.85595477      5.65230759    -15.42338126
  O     18.07259953      8.63370207    -12.39417727
  H     15.39045165      6.56709829    -13.80708870
  H     18.04314843      4.12648645    -15.32982390
  O     19.02693375      9.21686420    -14.89574953
  H     14.82038081      7.83177408    -14.50654468
  H     17.93043412     10.54042647    -15.59682770
  O     11.33911292      8.81238147    -16.09912052
  H     18.38467195      8.54416044    -11.48153198
  H     17.01651180     11.74769340    -15.22832855
  O     15.80683240      8.12660786     -9.24418940
  H     17.33129068      9.25580915    -12.36223408
  H     15.85131661      9.92694919    -15.31727701
  O     13.12717997      7.21716713    -11.95014065
  H     19.97862601      9.14978640    -14.91900763
  H     14.31629022      9.97010789    -15.22651865
  O     15.91492495     10.35790427    -12.38643184
  H     18.75342319      8.98229351    -13.99283702
  H     12.61100469     11.84308569    -12.69739847
  O     15.60788806      7.87009946    -18.15874787
  H     10.43194002      8.71755608    -16.37740109
  H     11.44766427     11.99543068    -11.69070621
  O     15.08006084      5.69374001    -10.55930477
  H     11.33105095      8.83811222    -15.12505758
  H     11.57420839      9.79739579    -12.94585578
  O     17.72277559      7.11223490    -16.38644218
  H     15.13456155      8.73952676     -9.56543384
  H     11.83858151      8.28145397    -12.85058164
  O     13.44453571      6.99735549    -16.77431468
  H     15.55010947      7.25829448     -9.57958771
  H     17.27562261      6.95944238    -12.55858928
  O     17.92588041      4.90892906    -14.79892737
  H     13.59138781      6.60989167    -11.36248738
  H     17.24731093      5.60218986    -13.33176429
  O     17.19277922     11.08233890    -15.90667099
  H     13.56580668      7.11769740    -12.80976299
  H     18.97617666      8.38206926     -8.89609596
  O     15.09720958      9.54260082    -14.85250270
  H     15.26550092     10.14871155    -11.70394450
  H     17.55138094      8.34894586     -9.47697051
  O     12.09988452     11.37794840    -12.01121283
  H     15.54048768     10.05315207    -13.22838263
  H     15.37632206      9.73747761    -18.09602939
  O     11.41533813      8.95785809    -13.39353434
  H     15.62044970      7.43729414    -19.00916141
  H     16.00190165     10.96526887    -17.41441161
  O     16.79660399      6.12596133    -12.65211910
  H     14.81544767      7.54591709    -17.69488544
  H     13.23012543     10.28409212    -11.00362879
  O     18.49172352      8.42363907     -9.71541383
  H     15.72071909      5.78402246    -11.28656094
  H     13.58279872      8.78290561    -11.11412342
  O     15.24579295     10.68302618    -17.94507355
  H     15.14818550      4.79646985    -10.24357985
  H     16.29995187     11.94291931    -13.10574195
  O     13.85697248      9.61501877    -10.70048822
  H     18.13713670      7.88160026    -15.98108368
  H     16.84230492     13.38934895    -13.18842788
  O     16.41616445     12.70523903    -13.69897546
  H     17.02924663      7.43150297    -16.97553426
  H     12.45716796     10.29983529    -16.33364641
  O     13.12766535     10.98295798    -16.21412615
  H     13.79663504      6.77038411    -15.90208142
  H     13.76667782     10.92816888    -16.94198054
          69
 Energy    -248.19381335016800     
  O     17.74504726     10.10414328    -10.17358812
  H     18.24370336      9.29765800    -10.36788271
  H     12.84633211      8.72780493     -6.32943689
  O     19.18126973     11.48560301     -8.20416196
  H     18.27055911     10.65313555     -9.57817542
  H     16.88700982      5.21771588    -11.67015275
  O     12.42523521      7.91156669     -7.78241290
  H     19.57655045     10.69938757     -7.78367026
  H     16.94909345      4.17008932    -12.80174225
  O     15.45196095     10.31254801    -11.70320648
  H     19.84397760     12.17086685     -8.19301428
  H     15.06105639      7.54206644     -8.93173811
  O     18.85595848      7.62841200    -10.70628874
  H     13.09379406      7.34855578     -8.19243853
  H     14.18247919      7.15390635    -10.14083731
  O     20.74409224      7.09631810     -8.79479560
  H     12.03036438      8.40880546     -8.50960770
  H     17.71327074      8.04828769    -13.67782765
  O     16.97929913      5.66707353     -9.93587967
  H     14.82323236     10.80202761    -11.15098141
  H     17.88729454      6.57047099    -13.26842467
  O     11.61080785      9.27985254    -10.13925111
  H     16.29274464     10.30542192    -11.22490301
  H     16.19097626      9.80632767    -14.81331116
  O     17.08403808     11.26141595     -6.23960483
  H     18.82818221      7.61023406    -11.67459316
  H     15.94350786      9.65290423    -13.29789371
  O     13.63210058     11.33584107     -9.92743173
  H     18.17892408      7.00917401    -10.40019979
  H     15.41698969      9.63440382     -8.04866730
  O     14.54002676     11.03490219     -7.26832556
  H     20.16085046      7.30977696     -9.54337792
  H     16.58313517      9.33230037     -9.02910318
  O     13.13570527      9.24540107     -5.55546918
  H     21.54113639      6.72402297     -9.16274247
  H     19.23719687      8.83272008     -6.63463624
  O     16.82486212      5.10089764    -12.63263815
  H     17.45467532      5.57930819     -9.09678014
  H     20.39380083      8.50144743     -7.60445946
  O     14.54552276      6.81148132     -9.31230758
  H     16.08232406      5.95914934     -9.72070511
  H     14.61560992      8.41279582     -4.81074646
  O     18.36349816      7.40536668    -13.36832765
  H     12.24736255      8.83224294    -10.72375166
  H     15.09473264      7.30210485     -3.86439373
  O     16.23522690      9.17999248    -14.09486394
  H     10.78686012      9.32549119    -10.61777434
  H     13.87042580      7.58752796    -12.33828516
  O     15.98467873      8.92929416     -8.38714241
  H     17.76158428     11.48255387     -6.89073225
  H     14.27899564      8.87670504    -11.57840209
  O     20.02582934      9.20348269     -7.05393441
  H     17.28258405     10.36127176     -5.96311419
  H     18.09921998      6.56521661     -7.01628675
  O     15.40698938      7.96993561     -4.47082789
  H     13.91637928     11.36942054     -9.00422253
  H     19.30235530      6.16404923     -7.88632850
  O     13.64078647      8.14987204    -11.58507910
  H     12.85144607     10.77015451     -9.94225938
  H     16.86855044      8.09024603     -5.50403279
  O     18.42460997      5.87595239     -7.60698219
  H     14.02372473     10.54615375     -6.61630073
  H     17.00907437      8.45965887     -7.00310471
  O     17.51737899      8.25816306     -6.20183344
  H     15.38422724     11.27035479     -6.85324635
  H     15.23367529      7.53740203    -13.96769757
  O     14.73116314      6.76876114    -13.66747018
  H     12.34771838      9.49770134     -5.08100789
  H     15.38362475      6.13004909    -13.35438089
          69
 Ord_Energy   -248.193787    
 O    5.40350389      -1.52832210       8.94317913    
 H    6.17071629      -1.73353970       9.49229908    
 H    5.41670942     -0.571537077       8.79320335    
 O    6.28773212       2.55378461       12.4885139    
 H    5.32533646       2.47035456       12.3494930    
 H    6.41169977       3.01679802       13.3126745    
 O    1.58799303      -6.44891486E-02   8.13861084    
 H   0.700735092     -0.105926231       7.79289532    
 H    2.18983889     -0.224000886       7.38813066    
 O    7.37947226       1.58095479       4.73750687    
 H    7.97775030       2.21554828       5.14751911    
 H    7.66640663      0.695519745       5.00648975    
 O    6.36240530     -0.300742388       12.3709326    
 H    6.45604277      0.656558394       12.4375772    
 H    5.42304420     -0.486694008       12.4954319    
 O    6.83265114       3.28555727       9.86413479    
 H    6.77461338       3.03394961       10.7941189    
 H    7.73557615       3.13967037       9.53826523    
 O    3.54602194     -0.663067997       12.6135693    
 H    3.05522180      -1.13848388       13.2782936    
 H    3.26099515      -1.01333892       11.7505560    
 O    7.69454479      -1.74646521       10.5451603    
 H    7.26639223      -1.22633278       11.2500648    
 H    8.19705391      -2.43396258       10.9727898    
 O    8.82414913       3.69511867       6.05089521    
 H    8.02653408       4.24444199       6.15326023    
 H    9.44359493       4.20835066       5.53791475    
 O    3.35508251     -0.425100505       6.13634920    
 H    3.98843694      -1.14724541       6.06158543    
 H    3.85265827      0.380722463       5.93626118    
 O    6.56981325       5.17495823       6.40001631    
 H    6.31494474       5.43138218       7.29424715    
 H    5.74455023       4.95557642       5.95130873    
 O    5.44433451      -2.37277055       6.32407141    
 H    5.43010473      -2.17568135       7.27562809    
 H    5.37667608      -3.32087970       6.23800468    
 O    2.89160514      -1.58175099       10.1617517    
 H    3.75078511      -1.68962455       9.73090744    
 H    2.33459330      -1.12576020       9.51994419    
 O    4.95172405       1.82214057       5.86952114    
 H    4.57741880       2.68811226       5.67379379    
 H    5.78369522       1.73564124       5.37640429    
 O    3.67773223       2.10396695       12.0158424    
 H    3.37675834       2.16281033       11.0996780    
 H    3.52454114       1.18921053       12.2858534    
 O    3.08704257       2.02829576       9.26502895    
 H    2.46028972       1.37915468       8.92099762    
 H    3.96218657       1.71808338       9.00024796    
 O    8.33524132       1.94982309E-02   8.42933750    
 H    8.27151680     -0.593038142       9.17249489    
 H    7.46298218      0.427484483       8.34590244    
 O    5.65415335       5.60446501       9.07357502    
 H    6.08483791       4.79407120       9.39628315    
 H    5.88004875       6.30089951       9.68453503    
 O    3.96765590       4.41096210       5.49608803    
 H    3.34717894       4.81174374       4.89420414    
 H    3.59952092       4.50689363       6.39351130    
 O    5.69412613       1.21359158       8.42984867    
 H    6.07075357       1.97274446       8.89765453    
 H    5.48529291       1.46776056       7.51689291    
 O    9.17916298       2.69029880       8.66746330    
 H    9.14531422       3.03733993       7.76576948    
 H    9.11813354       1.72925222       8.58685875    
 O    7.91770220     -0.932715118       5.78316784    
 H    7.10856771      -1.44855988       5.87582350    
 H    8.20157433     -0.713740647       6.68004084    
 O    3.19607091       4.58743382       8.07580757    
 H    3.05835629       3.74230623       8.52297020    
 H    3.95470715       5.00387096       8.50471115    
          69
 Energy    -248.19372282220513     
  O     11.90012166      8.66895655    -15.92851733
  H     12.01840385      8.46728602    -16.85280675
  H     16.52208807      8.66890079    -11.11372372
  O     11.12218336      7.96110834     -9.38127697
  H     11.74139452      9.62827295    -15.87081200
  H     14.55679055      7.61941754    -12.22093854
  O     13.27124018      8.14158008    -13.51940458
  H     11.20586881      8.66111458     -8.72370865
  H     14.63765440      7.13295401    -10.76105249
  O     11.28046103     11.31387904    -15.64310513
  H     11.91308315      7.41418918     -9.29453386
  H     15.02926134     14.23893498    -12.35631429
  O     11.12497959      8.88310310    -11.96377816
  H     12.54175205      8.35646105    -12.91614711
  H     14.28152637     15.57297499    -12.58026319
  O     14.22851223      9.34417644     -8.36588246
  H     12.89708034      8.17741455    -14.40840980
  H     13.97553070      7.61141529     -8.77197803
  O     14.20580512     10.91455904    -10.60836158
  H     11.80783864     11.87821203    -15.06305477
  H     14.02822099      6.08927388     -8.49477312
  O     11.66959677     10.20013994     -7.62169574
  H     10.38412382     11.33922781    -15.28620377
  H     17.32662699     10.27482236    -12.41430693
  O     16.54748104     13.39177013    -12.27233965
  H     10.96047889      9.83383695    -11.94555710
  H     18.00894444     10.51631241    -13.78240405
  O     11.81680450     11.94869569     -9.70471455
  H     11.05266523      8.54595330    -11.06017411
  H     11.28659964     12.03648173    -12.62929036
  O     12.69674772     12.63401078    -13.58332995
  H     14.23177513      9.76822547     -9.24062523
  H      9.82286180     11.54590560    -12.76372319
  O     17.22109513      9.32849318    -10.97838010
  H     13.41227859      9.62540649     -7.93321900
  H     15.37957776     13.22253977     -9.33218860
  O     15.15178854      7.54394693    -11.46449254
  H     14.89366976     11.55556817    -10.38666104
  H     16.40459201     12.06653151     -8.96986780
  O     14.15796746     14.67136520    -12.29391148
  H     14.29886920     10.71417550    -11.54667793
  H     15.45669107     10.59926251    -13.44962687
  O     13.70416847      6.74170795     -9.11120204
  H     11.63362138     10.88010422     -8.31761388
  H     14.16228973      9.70155773    -13.49851575
  O     17.27256188     10.78778695    -13.24185510
  H     11.16007834     10.53020261     -6.88668674
  H      7.85725104     11.17697967    -14.48786781
  O     10.54570294     11.65410800    -12.13438244
  H     16.85483233     12.58512620    -12.69970832
  H      8.94444564     10.09740803    -14.26819937
  O     16.15609593     12.72283455     -9.62970999
  H     16.57933432     13.21110995    -11.32062536
  H     17.30960799     10.05440078     -7.46172106
  O     14.49606011     10.59772782    -13.35747928
  H     11.19979184     11.94351102    -10.44812708
  H     15.90974432      9.93884926     -8.10812738
  O      8.77232861     11.05634304    -14.25077671
  H     12.65148139     11.59793112    -10.05566756
  H     13.80980314     14.34824109    -10.40828479
  O     16.78616253     10.34557122     -8.20426090
  H     13.11020538     13.41256396    -13.19314617
  H     12.96988818     13.49483520     -9.44375774
  O     13.75079265     14.05925788     -9.48796113
  H     13.36252846     11.92882017    -13.55571754
  H     10.26686215      8.36702182    -14.90186037
  O      9.56392399      8.45771262    -14.24740905
  H     17.14966439      9.64033280    -10.07257406
  H     10.01226340      8.44657644    -13.38922397
          69
 Energy    -248.19357795250210     
  O     15.57971595      4.77646847    -16.15055173
  H     15.87747554      5.69210802    -16.22709200
  H     17.04692585      4.41015240    -12.81248980
  O     17.83646201      6.28459325     -9.69941068
  H     14.62113294      4.82799045    -16.04764633
  H     18.61371338     10.43796825    -14.88720920
  O     15.05024839     11.20735236    -10.47546801
  H     17.77612738      5.90615323    -10.58699447
  H     17.27707587     11.13209552    -14.57364895
  O     19.71800138      9.38931534    -13.72279965
  H     17.85435689      7.24236314     -9.79549934
  H     16.41228780     10.44610347    -18.07932521
  O     16.43279147      3.20792408    -14.10473472
  H     15.25854287     11.38107349    -11.40243325
  H     16.90956884     10.39162264    -16.61348838
  O     13.06455562      9.42013348     -9.91458138
  H     15.82853756     10.77662058    -10.10609077
  H     16.70874617      8.02869514    -12.87765189
  O     15.56906840      5.53312823     -8.40266049
  H     20.67030260      9.43706164    -13.70161841
  H     15.27446759      8.17095132    -12.23550528
  O     13.56960415      7.62465478    -12.00166688
  H     19.39471414      9.89077146    -12.95338726
  H     13.08268236      4.61058799    -14.57104581
  O     18.58868831     10.82375532    -11.69585737
  H     16.20548080      3.75631482    -14.87764135
  H     12.03973991      4.68934167    -15.71110036
  O     15.16269169      8.35451315     -8.23934440
  H     16.83131107      2.40991321    -14.44133731
  H     14.84543910      5.29177341    -10.10682995
  O     16.08634759      7.53728622    -15.97329422
  H     13.70337594     10.12510376    -10.12204556
  H     15.55831475      5.30234965    -11.48151777
  O     17.22650681      5.18312937    -12.26221999
  H     12.27527694      9.85041303     -9.59574906
  H     16.57968156      8.94459108     -9.16544932
  O     17.89380610     10.93581988    -15.29071996
  H     16.43844791      5.75484887     -8.78456710
  H     16.82094231      8.93275483    -10.70213907
  O     16.25543452     10.02769467    -17.23761010
  H     15.72975271      4.93419510     -7.67849258
  H     16.09345748     10.22183738    -12.86190569
  O     16.16158965      8.54822196    -12.27698553
  H     13.84590029      6.78011324    -11.61653932
  H     15.29289289     11.09464469    -13.84339270
  O     12.83714713      5.09410535    -15.38039680
  H     13.28914146      8.20776805    -11.28490802
  H     13.21735707      6.90236280    -15.05909745
  O     14.68684818      5.30069679    -11.05823711
  H     18.27142560     10.32784906    -10.92799999
  H     13.48701081      7.73890639    -13.79225758
  O     17.20879869      9.20824189     -9.85418056
  H     17.81484166     11.25251176    -12.07517797
  H     13.91909976      4.20910083    -12.38007668
  O     15.98377224     11.13810221    -13.16448063
  H     14.35445998      8.61524179     -8.69608318
  H     14.62306941      3.39785032    -13.47661718
  O     13.57446886      7.74680286    -14.75634481
  H     15.16503182      7.39004008     -8.20619626
  H     14.78989273     10.42982207    -15.99476592
  O     13.76079843      3.74032406    -13.20948007
  H     16.18119953      8.31964303    -16.52983279
  H     13.85552157      9.63113237    -15.07500666
  O     14.24033983     10.50717697    -15.20561621
  H     15.23804587      7.62768600    -15.51418328
  H     17.37950982      7.34720941    -14.74622139
  O     17.92315718      7.23523128    -13.95228905
  H     17.55549018      5.86405287    -12.86688211
  H     18.60728175      7.91614040    -13.94502123
          69
 Energy    -248.19337818615770     
  O     15.21328302     12.09858060    -12.31611454
  H     16.01035195     11.71405896    -11.93465837
  H     13.30922161      6.66793184    -14.65567635
  O     17.50954579      9.55672394     -7.36655682
  H     14.68940691     12.39775265    -11.56330876
  H     11.60411877     10.71702941    -11.41513413
  O     16.78009262      6.24324466    -11.22366065
  H     18.24048173      9.70438769     -7.97938815
  H     11.24878247     10.47077744     -9.93622365
  O     13.31412413      5.79978107    -11.03590231
  H     16.78547958     10.11471913     -7.67890748
  H     16.32105122      9.09245712    -15.78954660
  O     18.91923241      6.98600727     -9.54394848
  H     16.33864625      5.62341162    -11.81763971
  H     16.07873342      8.85312697    -14.28160050
  O     17.27469183      6.85737090     -7.19559498
  H     16.21160236      6.33183440    -10.44506086
  H     19.33579837      8.68778004     -9.55882082
  O     17.20597341     10.64060729    -10.82594377
  H     13.82672629      5.81253144    -10.21585401
  H     20.39709453      9.81182012     -9.47638765
  O     13.69640200     12.73593989     -9.95395352
  H     13.82592699      5.28650362    -11.67495995
  H     15.82276182      6.42488122     -8.27716003
  O     10.92117227      7.36242345    -11.21898903
  H     18.46730726      6.81715869     -8.70752431
  H     14.61640473      7.22805802     -8.80397946
  O     15.40557527     10.90323427     -8.68087765
  H     18.32940487      6.64601281    -10.22893871
  H     12.41054203     10.14664194    -13.52254140
  O     14.06960917      8.45449195    -11.54649916
  H     17.31358631      7.83118484     -7.18692082
  H     12.72578067      9.17716933    -12.38541483
  O     14.25539528      6.46874068    -14.68002999
  H     17.49430247      6.56560348     -6.31488537
  H     10.93680862      6.75352735    -13.81675175
  O     11.57717312     11.13957536    -10.54770601
  H     16.57918063     10.71183866    -10.09216140
  H     11.65618435      8.08775095    -14.03348303
  O     15.63930932      8.90853608    -15.14761109
  H     18.05723213     10.40938556    -10.43388289
  H     10.09462072      8.70814579     -8.38480366
  O     19.45760095      9.65063280     -9.47616593
  H     13.37781572     13.62020489     -9.79236874
  H     10.78386777      8.26806797     -9.69846650
  O     15.11899660      6.41088313     -8.93798187
  H     12.91532389     12.18912020    -10.15091487
  H     15.21227907      3.83676022    -13.29874941
  O     11.98254750      9.55052863    -12.88751442
  H     11.66410318      6.74329185    -11.18578637
  H     14.84060632      5.31318238    -13.59069121
  O     11.58025313      7.18648585    -14.37781165
  H     11.16054897      8.05517226    -11.84701012
  H     14.32703280     10.30451589    -14.77135295
  O     10.85836964      8.86480030     -8.93349284
  H     14.79673627     10.15209110     -8.62845756
  H     14.25297233     11.42520643    -13.71619213
  O     15.11830522      4.69245033    -12.89021607
  H     14.87898927     11.64323392     -9.00860685
  H     13.79783957      8.78722382     -9.82463446
  O     13.73071700     10.95510184    -14.38430208
  H     13.88462345      7.50632930    -11.51262139
  H     12.71783437      8.80542394     -8.71225738
  O     13.66962174      8.77138207     -8.86164946
  H     14.92926160      8.57691035    -11.96483770
  H     16.90710197      9.35718519    -12.02118508
  O     16.64472831      8.64150169    -12.61798560
  H     14.70237568      7.28150864    -14.94233721
  H     16.81535969      7.80132397    -12.17080899
          69
 Energy    -248.19334738232345     
  O     -2.70253934     -1.16503899      7.07863428
  H     -1.99316105     -1.71916282      6.71242703
  H      2.25691073     -3.80655785      2.40954811
  O      0.16639227     -0.98814196      3.93014603
  H     -2.73891807     -1.35642003      8.01288118
  H     -1.54623886     -2.82580565      1.82068853
  O     -1.96714842      0.66355040      3.24198754
  H      1.08879760     -0.77104712      3.75310760
  H     -0.76504802     -1.60323975      1.24664542
  O      1.08994310     -4.71730295      5.23913281
  H     -0.10865100     -1.58306604      3.21278828
  H     -3.64245735     -2.57273290      2.14539239
  O     -4.60173012     -2.19869103      5.14980323
  H     -1.19438370      0.15602358      3.52962602
  H     -3.13745206     -3.84184696      2.86976360
  O     -0.79070343     -2.70061117      5.82905843
  H     -2.34395234      1.04408665      4.04733261
  H      1.56387189     -3.62916369      0.00132316
  O     -0.95955851     -6.15613034      3.79433792
  H      1.64015777     -4.28923626      4.55909438
  H      0.59635658     -3.48366099      1.19026384
  O     -0.95750913      0.16501078      0.66971614
  H      1.68364935     -5.21625784      5.79455185
  H     -3.46668007     -0.36126243      2.88318411
  O     -0.23501671     -6.30261103      1.02244832
  H     -4.09761434     -1.80398358      5.87012417
  H     -4.48520028     -1.30179752      3.58875557
  O     -1.10305488     -2.58452417     -1.68405131
  H     -4.18412294     -3.05649850      4.99166507
  H      1.96160789     -2.52165707     -2.32919269
  O     -2.26165790     -4.69666256     -0.30259734
  H     -0.16220961     -3.43213496      5.78619806
  H      0.60594574     -2.49367831     -1.58259948
  O      2.56383797     -3.54715317      3.28865176
  H     -0.44598622     -2.02688611      5.22294620
  H      2.47187327     -0.57413892      2.04342593
  O     -0.67620753     -2.41038941      1.77138265
  H     -0.19882473     -5.74989850      4.22767785
  H      3.51335979     -0.11709722      3.09150901
  O     -3.23924540     -3.43733250      1.99670965
  H     -0.73004199     -6.25312516      2.86242218
  H      0.87917577     -0.02664374      0.48627071
  O      1.30593188     -4.04360069      0.83284446
  H     -1.62715627      0.10478659     -0.02302676
  H      1.80734934     -1.03246368     -0.22326875
  O     -4.23954993     -0.92059969      2.73289473
  H     -1.37475823      0.51597464      1.46788880
  H     -3.67923526     -0.55499092     -0.84105871
  O      1.57386596     -2.46224521     -1.46084596
  H      0.38985480     -5.56558220      0.91716234
  H     -3.13236608      0.24132661     -2.04572162
  O      2.77813612     -0.70890648      2.95899652
  H      0.17032660     -7.06644367      0.61868176
  H     -3.90088936      1.62266314      5.95592854
  O      1.78828527     -0.35571570      0.46381383
  H     -1.73354961     -1.85900920     -1.64076574
  H     -2.90057388      0.49181933      6.23348997
  O     -2.86741318     -0.32172911     -1.32256259
  H     -1.52246745     -3.34581790     -1.25543920
  H     -2.16911307     -3.71300381      5.00625896
  O     -3.03713570      1.29616760      5.71185125
  H     -2.75464906     -4.32472065      0.44167888
  H     -2.28730753     -5.09202951      4.33554940
  O     -2.80270739     -4.31100418      4.58908183
  H     -1.65917970     -5.34057305      0.08615992
  H     -4.89387773     -0.85220616      1.07229361
  O     -5.08872289     -0.94548013      0.12566519
  H      2.73808157     -2.60027282      3.23393500
  H     -5.68073417     -1.69102829      0.05219899
          69
 Energy    -248.19315892126457     
  O     15.97916119      5.82854259    -14.14849438
  H     16.39502400      5.86394949    -15.02152294
  H     20.69534293     10.27324283    -15.69485225
  O     16.91898262     13.63753995    -11.72876724
  H     16.70474084      5.75362127    -13.51678713
  H     17.60890010      8.00295998    -15.90748485
  O     20.16177899      9.30579136    -14.29595664
  H     17.17822196     13.33921606    -12.60937372
  H     17.71154306      9.57123877    -16.02712425
  O     15.79204942      7.47095843    -18.67943191
  H     16.02301673     13.30443298    -11.59104441
  H     14.92710373     11.52848941    -15.74776915
  O     16.14328862     10.47665469     -9.93508153
  H     19.95734669      9.75726944    -13.46615787
  H     16.02857276     11.56911196    -16.82673175
  O     15.37191177      8.47073180    -14.01172300
  H     19.30168261      9.05899475    -14.67472616
  H     17.50640104      7.62707195    -11.81735888
  O     17.56843384     12.06974928    -14.05734113
  H     15.21196019      7.91002895    -18.02998958
  H     16.41201737      8.52342239    -12.42741451
  O     20.17858205      6.49270895    -14.16517392
  H     15.23108423      7.15092533    -19.38042520
  H     14.48357796      8.53812978    -15.86958305
  O     20.03776660      5.93737046    -16.97265659
  H     16.42183445      9.69089010    -10.42292156
  H     14.53329013      9.71130283    -16.86414618
  O     17.29570238      6.34209588    -16.60645796
  H     16.94282899     10.99557610     -9.78201195
  H     18.89251644     12.74602205     -9.33440991
  O     18.22669137      5.99747879    -12.34226657
  H     15.36269886      7.50156574    -13.97995446
  H     17.93439108     12.81857699    -10.54942892
  O     20.80266060     10.75034477    -16.53571407
  H     16.18264191      8.69973410    -14.49730998
  H     18.33196056      9.78802055    -11.98507158
  O     17.69154536      8.82911089    -15.41161102
  H     18.08952113     11.52888334    -13.44868624
  H     18.94410876     11.07268521    -11.36355303
  O     15.08591066     11.42317480    -16.69619956
  H     16.64994625     11.76892087    -13.98381572
  H     15.00976725     11.52712185    -10.75338335
  O     17.07955513      8.48958172    -11.73120494
  H     20.17745476      6.22696196    -15.09234122
  H     13.70981859     12.36962961    -10.76703097
  O     14.37267388      8.75740864    -16.79839663
  H     20.37770483      7.43791398    -14.15916119
  H     20.63805698      9.15601267    -17.61133307
  O     18.43588427     12.21034458     -9.97687130
  H     20.56763011      5.31004605    -17.45664692
  H     19.47570195      8.66778451    -18.48701914
  O     18.96234306     10.50619626    -12.14374864
  H     20.18952066      6.80975793    -17.38154117
  H     14.91796945     10.25127027    -13.83709381
  O     14.48895675     12.16298245    -11.27609337
  H     16.83058938      6.58800012    -17.41676103
  H     14.64552364     11.54282066    -13.00561599
  O     20.29616105      8.37666173    -18.06120158
  H     18.19913538      6.08389367    -16.83021492
  H     17.89463532     11.69858927    -15.80498655
  O     14.93064858     11.21773098    -13.86874525
  H     18.51892108      5.29054060    -11.77251131
  H     18.97058961     11.24696591    -16.81258526
  O     18.01555948     11.33489765    -16.69695340
  H     18.93659127      6.14293474    -12.99233120
  H     17.68073035     10.15426522    -18.41955107
  O     17.88715623      9.37950556    -18.94950460
  H     21.58325189     11.29173583    -16.45066961
  H     17.11819292      8.79642929    -18.91268436
          69
 Energy    -248.19307255098664     
  O      1.12693153     -1.08491499      5.21051004
  H      1.27825779     -0.79717183      6.12147714
  H      5.55749855     -0.66760176      5.33615366
  O      0.63415580      2.10534274      6.97357166
  H      1.77109556     -1.78697869      5.04583318
  H      6.54880386      0.50204437      9.78616411
  O      6.56344705      0.78932719      2.76474265
  H      0.94210284      1.27643363      7.35742197
  H      5.29915325      0.52548135      8.89173959
  O      3.49254094      3.83085837      2.35634381
  H      1.36208869      2.73361239      7.06651476
  H      3.80693745      2.23169403      7.67433521
  O      2.78075102     -0.26944948      1.56071678
  H      6.00855137      1.11184356      2.04377423
  H      4.67112734      1.27926226      6.81381624
  O      3.21225909     -2.90229568      5.11451678
  H      6.65732980     -0.16331124      2.63731708
  H      5.64851488     -1.66553712      8.60795579
  O      6.59427561     -2.06881292      2.71506491
  H      2.56056211      3.57938581      2.40828978
  H      5.68177273     -2.20331467      7.15559193
  O      0.09514457      0.46646066      1.20428302
  H      3.92009657      3.16291073      1.80901452
  H      3.36310158      3.92458994      6.40790047
  O     -0.96720591      2.48121872      4.83785642
  H      1.86454671     -0.12633561      1.29214805
  H      2.92368135      4.63768424      7.70940246
  O     -0.93662400     -0.10617035      3.62669080
  H      2.84419314      0.07385997      2.46551289
  H      2.57023286     -3.71952737      8.54908129
  O      0.94651230      2.70222902      2.78637373
  H      2.99418772     -3.14799078      6.02238362
  H      3.76129594     -2.85948512      8.05721746
  O      5.70073842     -1.62209987      5.35750351
  H      4.06743029     -2.45105223      5.17447587
  H      2.09514619      0.25748891      4.50268721
  O      5.85714428     -0.05304851      9.43442039
  H      7.17183247     -2.72274761      2.33096581
  H      2.15116968      1.61444743      3.73156352
  O      4.23700545      1.36737701      7.67396014
  H      5.68185038     -2.34008319      2.50794124
  H      3.50199898     -1.94847162      1.99375030
  O      5.41940043     -2.42760475      8.05747145
  H     -0.32442394      0.17906512      2.03652376
  H      3.57621456     -2.92252092      3.19954636
  O      2.88544842      3.80372572      7.24909105
  H     -0.56128161      0.37621720      0.51918589
  H      4.85561444      3.10688453      5.01528054
  O      2.80620417     -3.02323459      7.94254497
  H     -0.41785704      2.33846614      5.62983270
  H      4.05799056      4.01396822      4.06710398
  O      2.68717659      0.88467126      4.06628228
  H     -1.71198306      3.00869560      5.11336054
  H      4.77644458      1.70315998     -0.13210758
  O      3.98363996     -2.70561877      2.35205686
  H     -1.09569453      0.73807096      4.06693795
  H      4.00012773      0.92773315      0.95587201
  O      4.33961342      3.91919828      4.98870979
  H     -0.30640583     -0.57761219      4.18975881
  H      2.77897606      0.19519693      7.75418530
  O      4.65267478      1.63168937      0.81170379
  H      0.26143898      2.76231906      3.46540814
  H      2.19753033     -1.22880167      7.94779155
  O      1.95774258     -0.31550445      7.74435729
  H      0.64042473      2.05192054      2.14153383
  H      5.79361305      1.10734532      4.30742645
  O      5.19678703      1.15059230      5.07087685
  H      6.15020239     -1.84596976      4.53316843
  H      4.29043400      1.08561572      4.72529715
          69
 Ord_Energy   -248.193024    
 O   -3.80562830       4.97063780       8.74008179    
 H   -4.52921915       4.77775431       8.12598038    
 H   -3.84462285       4.27344942       9.40640354    
 O   -4.17045212       1.65688264       7.54999065    
 H   -3.70030499       1.39230609       6.74994421    
 H   -4.71104145       2.42477345       7.31753778    
 O   -5.15110207       3.79098392       4.18455601    
 H   -4.18497229       3.76508069       4.29264212    
 H   -5.32808352       4.37832165       3.45380878    
 O   -3.92484283       2.48373103       10.1490946    
 H   -3.15773487       2.10535622       10.5915489    
 H   -3.90327787       2.15880728       9.23357964    
 O   -6.52988243       1.72691691       10.5597134    
 H   -6.95430851       2.24199462       11.2422266    
 H   -5.62256765       2.06607533       10.4785032    
 O  -0.741349399       1.79594994       8.48755646    
 H   -1.00083101       1.53258598       9.37661076    
 H  -0.898010790       1.04499507       7.89741898    
 O   0.174050927       3.10817003       4.08918953    
 H   0.522725224       3.75377846       4.71779823    
 H   0.524730802       2.25492740       4.36990881    
 O   -2.45044470       3.55742526       4.70887947    
 H   -2.27247691       3.81813049       5.62370014    
 H   -1.58197904       3.42615962       4.30014801    
 O   -1.01974678     -0.246932566       6.59470320    
 H  -0.192432448      -7.15480000E-02   6.13038492    
 H   -1.73051453       5.24825603E-02   6.00586128    
 O   -5.59150171      0.932007253       4.21935892    
 H   -6.28544569      0.662492037       4.83270264    
 H   -5.62294579       1.89466238       4.16019917    
 O   -3.02398038      0.867108762       5.13835096    
 H   -2.74777293       1.75962877       4.89055586    
 H   -3.89802527      0.722423792       4.74665546    
 O   -1.65717149       1.10194349       11.0959854    
 H   -1.12285459       1.17528784       11.8829479    
 H   -2.04432702      0.210746437       11.0966511    
 O   -1.61413777       4.17573166       7.30208015    
 H   -1.36842346       3.34546804       7.73337936    
 H   -2.33954692       4.56429672       7.81090546    
 O   -5.70499086      -1.00144458       10.4920721    
 H   -4.79029131      -1.02865541       10.7944307    
 H   -6.02400446     -0.100203969       10.6334810    
 O   -2.66635108      -1.76354039       8.30057716    
 H   -3.54978895      -1.59392023       7.94994402    
 H   -2.03725958      -1.35608912       7.69185066    
 O    1.31021166      0.719063759       5.31511784    
 H    2.10040903      0.295308113       4.99004030    
 H    1.58260405       1.29696524       6.05023766    
 O   -7.61815119       2.25585723       7.90101051    
 H   -7.33256817       1.98417127       8.78118992    
 H   -7.64790630       1.45925605       7.35653257    
 O    1.76987422       2.43116689       7.38116837    
 H    1.62436223       3.32744455       7.05262280    
 H   0.990985155       2.22160912       7.91543293    
 O   -7.40881920      -5.27716093E-02   6.21618748    
 H   -8.04626942     -0.737588406       6.02942657    
 H   -6.69914103     -0.465366453       6.73848629    
 O   -5.68797398       3.92957258       6.95129395    
 H   -5.65734148       3.96031904       5.98819923    
 H   -6.48581553       3.45061302       7.22544622    
 O   -5.32323217     -0.853298664       7.77745676    
 H   -5.54971457      -1.01719093       8.70526791    
 H   -4.94688940       3.92725617E-02   7.73841333    
 O   -2.82783484      -1.37408662       10.9486885    
 H   -2.70344448      -2.20813894       11.3943939    
 H   -2.73324108      -1.55190539       9.99371052    
 O   0.827856362       4.87487411       6.26469660    
 H   -5.14831208E-02   4.74050903       6.65897131    
 H    1.01425040       5.80824804       6.32126617    
          69
 Energy    -248.19298686898395     
  O      2.06135567     -0.62508087      4.72725847
  H      1.80962176     -1.09977235      3.92391633
  H      1.35040781      0.92760507      1.17675708
  O     -1.62604253     -4.64801730      6.59306719
  H      1.73604676      0.28146907      4.64530402
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  H     -0.81574401     -4.43394603      7.07571576
  H     -1.76474133     -0.90092013      1.95529108
  O      1.13971596     -1.99693246      2.51180451
  H     -1.65106667     -0.59556124      9.18269699
  H     -0.82220936      0.10531222      1.26754947
  O      1.63434709     -4.31771523      4.04512657
  H     -0.90949460     -1.77643737      9.83965799
  H     -2.54752368      2.07634199      5.58408010
  O      3.85996842     -1.62043886      6.64396641
  H      2.55229867     -4.34847040      5.50709718
  H     -3.08153117      3.29729741      6.35153282
  O      1.22985741      2.06593417      7.39739403
  H      3.59946816     -5.09741200      6.36493585
  H      1.51323615      2.23992591      3.06179667
  O      2.21688906     -0.43864871      8.48412010
  H      1.19390096     -1.34106633      1.80612545
  H      2.54315569      2.96279417      2.18015613
  O      0.98581251     -2.21686527     10.17536434
  H      0.19734300     -2.15731799      2.66861878
  H      0.31178572     -2.12653107      6.97749338
  O     -1.56026267     -2.54102830      2.99745087
  H      0.74227360     -4.68511331      4.02120308
  H      0.83063811     -1.08309641      5.92336552
  O      1.02078914      0.14866409      0.69606846
  H      1.62773140     -3.57211913      3.43213708
  H     -1.43579551     -6.00009341      3.76055409
  O     -1.83407921      1.09744363      4.22792097
  H      3.69805164     -2.56848589      6.57298242
  H     -1.32878749     -4.98761367      4.92622040
  O     -1.68163988      0.02629110      1.69804723
  H      3.39023542     -1.22542258      5.89536242
  H     -1.83899442      1.35653480      7.57599808
  O     -2.80657909      2.39085467      6.46452046
  H      1.84569259      1.47872079      7.84787741
  H     -0.84492242      0.15652052      7.46721113
  O      1.87028558      2.28711206      2.16015164
  H      0.36361581      1.84281186      7.76507660
  H     -2.83411916     -2.28472681      8.36416221
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  H      1.44565202     -0.51807233      7.90829347
  H     -4.26711973     -2.75697800      8.03280111
  O     -1.09954933     -5.13828535      3.99099081
  H      2.94519378     -0.82043731      7.96924522
  H      1.54838730     -3.97008686      7.41389433
  O     -1.20687384      0.81674311      8.07355066
  H      1.49801366     -1.53316561      9.71068228
  H      0.86117772     -3.36364954      8.68905946
  O     -3.39190308     -2.66926183      7.66477984
  H      1.34601895     -2.27910359     11.05622791
  H     -0.10220842      1.64509264      4.55392994
  O      0.70253406     -3.70552245      7.80062060
  H     -1.47822915     -3.48350187      3.19003897
  H      0.98853639      2.05526053      5.60550100
  O      0.83152532      1.86914779      4.66848697
  H     -1.91249194     -2.14326400      3.80636061
  H     -2.86625786     -1.75009672      6.09701045
  O     -2.30669668     -1.36706253      5.41222469
  H      1.25351769      0.27131276     -0.22061497
  H     -1.40643762     -1.39702187      5.77046021
          69
 Energy    -248.19266143066116     
  O     11.36820782     10.70853374    -14.69624152
  H     11.58834521     10.42038061    -13.79206673
  H     15.98488661      4.53484782    -15.42395698
  O     16.53531949      7.26253564    -13.36353520
  H     10.44360159     10.94059451    -14.69065187
  H     14.92184205     12.28318292    -18.50634217
  O     17.55751983     12.66708604    -12.19778358
  H     17.45061052      7.53265486    -13.52333188
  H     14.51661425     11.83470210    -17.08527136
  O     17.19015082     10.52768968    -16.34883870
  H     16.30767194      6.57937174    -14.00553397
  H     15.26986782     10.19004437    -14.12922994
  O     13.08974078      6.26851116    -14.41214737
  H     17.94880842     13.52437140    -12.04693093
  H     15.73081313      8.68720127    -14.13882907
  O     16.90406394     11.49946662     -9.76121450
  H     17.39067724     12.27672575    -11.32484851
  H     12.12415456      8.84355890    -12.11603847
  O     15.11880596      7.85978615    -11.09850712
  H     16.64518580     11.00981727    -16.97956057
  H     12.73201896     10.18631387    -11.67899070
  O     15.11647461     11.79900995    -13.29013637
  H     16.55617518     10.04752671    -15.79324180
  H     19.52703631      7.85040340    -12.21682748
  O     18.44550687      8.00359667    -16.62050591
  H     13.91894773      5.88996816    -14.72246104
  H     20.49432526      7.41891816    -11.10629932
  O     17.47342044      8.89809730     -9.89322696
  H     12.93078376      7.04776637    -14.96461330
  H     11.93382374      6.38047178    -11.49093897
  O     16.14941975      6.67372744    -17.77566376
  H     17.17631365     10.56223018     -9.79536165
  H     12.73115986      6.69903720    -12.77797525
  O     15.68658081      5.43780966    -15.34151894
  H     17.01167835     11.78198560     -8.85724107
  H     18.42826519     11.49582056    -13.43876954
  O     15.05234444     11.59290914    -17.86192491
  H     14.24112828      7.48465935    -11.23889820
  H     18.30433066     10.94208241    -14.88384859
  O     15.31571485      9.38447521    -14.66132783
  H     15.64916447      7.60271685    -11.86842215
  H     19.00015127      7.96265767    -14.88133589
  O     12.03826719      9.79882434    -12.22591542
  H     15.96058327     12.19750628    -13.04731553
  H     19.06244117      9.14335450    -13.88690226
  O     19.61469572      7.75629718    -11.25545954
  H     14.76102279     11.41319568    -12.47732014
  H     13.81758412      8.69354571    -17.42703971
  O     12.54528849      7.00497461    -11.87187672
  H     18.13991221      8.92099450    -16.65538456
  H     14.72071188      9.71862468    -18.13240607
  O     18.82101830     10.88285433    -14.06825627
  H     17.74532334      7.49272722    -17.03933093
  H     14.68223019      9.61770488    -10.98087444
  O     19.08144854      8.17392205    -13.94072363
  H     18.23697686      8.48787276    -10.32285619
  H     15.13928751     10.96960296    -10.39513474
  O     14.49728881      8.78109077    -18.11037576
  H     16.69387036      8.40162098    -10.16999637
  H     14.14575103     12.22458701    -14.82556235
  O     14.43845172     10.55372714    -10.90883800
  H     16.27567782      6.28389179    -18.63702487
  H     12.78764966     11.79049080    -15.38963010
  O     13.61218586     12.22844159    -15.63159383
  H     15.57305762      7.44796709    -17.90797609
  H     12.28144325      9.31069826    -15.54149055
  O     12.93550873      8.65844953    -15.81654727
  H     15.83131085      5.85890875    -16.20409484
  H     13.77747422      8.93386447    -15.41598312
          69
 Energy    -248.19260621341692     
  O     13.01840699     11.28236548    -14.71592697
  H     13.79814914     11.09034471    -15.25120494
  H     14.85150890      6.40127161    -10.66121964
  O     14.60682632      5.84863536    -17.39352113
  H     13.34178597     11.31518696    -13.80543905
  H     14.03845192      9.15994593    -12.76726442
  O     13.48475762      6.03479618    -11.75477369
  H     14.20718303      6.72924767    -17.27417085
  H     14.86137980      8.24470164    -13.70599382
  O     17.15984864      4.53282239    -11.09512227
  H     14.49967317      5.61844284    -18.31229155
  H     16.01017527     10.82427001    -16.62268089
  O     13.16018594      4.64405792    -15.24256727
  H     12.53542221      5.89204550    -11.67905792
  H     15.83430699      9.72282789    -15.55324291
  O     13.54636531      8.28710254    -16.93729520
  H     13.61407796      6.85845685    -12.25267500
  H     10.69022873      5.88223436    -12.80014331
  O     14.91301295      9.08182479     -9.13171444
  H     17.30905774      3.87440148    -10.42069387
  H     10.00045358      5.26999201    -11.55380995
  O     19.14809528      6.26678095    -12.26866750
  H     16.68396938      5.26479411    -10.66646858
  H     10.72862884      7.75895113    -11.76165439
  O     11.80769533      8.80695673    -14.67640340
  H     13.60921870      4.96694009    -16.03309766
  H     11.00389583      8.84590700    -12.81722886
  O     19.29330807      5.49827186    -14.94343690
  H     13.85763801      4.42906794    -14.61394441
  H     15.99473486      4.40393357    -12.63281543
  O     16.57557584      5.83842015    -15.41410995
  H     14.15685103      9.02080367    -16.79205643
  H     14.60728185      5.05003369    -12.77341717
  O     15.66603408      6.67574788    -10.21499644
  H     12.82552766      8.42102794    -16.31270503
  H     11.67250569      5.55660895    -14.78834576
  O     14.05622828      8.28404167    -13.17635481
  H     14.01168886      9.34460660     -9.35596481
  H     11.08485756      6.99666881    -14.72760308
  O     15.35239099     10.32820751    -16.14169725
  H     15.48937210      9.72064789     -9.56741189
  H     11.80380334      9.55078696    -10.66004033
  O     10.67865036      5.88201304    -11.82381851
  H     18.60665346      5.56753979    -11.88316375
  H     11.75945736     10.54680832     -9.48006314
  O     10.88828713      8.70520748    -11.87188316
  H     19.31286615      6.00470955    -13.18547025
  H     16.88900266      8.43813448    -13.61485686
  O     15.30404539      4.60196283    -13.27602300
  H     12.57403412      8.46819221    -14.18547044
  H     16.60486936      7.56415507    -14.87484049
  O     10.91661709      6.08055843    -14.48137172
  H     11.99551351      9.75121284    -14.78708185
  H     13.45391463     10.73349272    -11.36361671
  O     12.35740132     10.06005608    -10.04169793
  H     19.70541934      4.92836291    -15.58771555
  H     14.95064697     10.93747728    -11.72735515
  O     16.50054170      8.44992023    -14.50018947
  H     18.36378705      5.57562036    -15.20900071
  H     16.96920252      9.86596057    -11.24555733
  O     14.06298290     10.87088876    -12.10191897
  H     15.97382853      5.80045593    -16.16813407
  H     17.32593763     11.24887841    -10.65366009
  O     16.59143636     10.68378900    -10.87889038
  H     16.14231591      5.39005623    -14.67258328
  H     16.71481384      7.73910171    -11.34811556
  O     17.35682076      8.24956910    -11.85954174
  H     15.43407316      7.44897324     -9.68115619
  H     18.11716759      7.66396294    -11.99898543
          69
 Energy    -248.19241045800788     
  O     -3.34451825     -2.78843662     -0.00952799
  H     -3.48652822     -2.72768468     -0.95097579
  H      0.41384786     -5.64199152      1.23788635
  O     -1.84991646      2.49092143      5.31738500
  H     -2.42201406     -2.52472540      0.15425994
  H      1.69408673     -3.43727227      6.08227695
  O     -1.67259977      0.29721251      2.09522540
  H     -1.15709930      1.83280947      5.16702753
  H      2.45185675     -2.47575163      5.16334818
  O     -0.22669843     -3.52803466      6.05206555
  H     -2.53420229      2.02679357      5.81496403
  H     -0.50911252     -2.88595328      2.27402339
  O     -3.91029793      0.74616977      6.33337786
  H     -1.96106037      1.21586814      2.16669135
  H      0.11279826     -4.10950010      3.02056099
  O     -2.10148639     -1.40531111      6.09053276
  H     -2.47374807     -0.24046155      2.18315723
  H     -4.00533794     -6.53419294      3.77481440
  O     -0.78501730     -6.16738994      5.07960426
  H     -0.81338656     -2.82313772      6.35240522
  H     -3.07756143     -5.72851337      2.83171692
  O     -4.77274891      0.96068074      3.76116164
  H     -0.18338132     -3.42136541      5.09223190
  H      3.22869965     -4.42406099      4.58343977
  O     -0.83324617     -1.96056676      0.71524305
  H     -4.61684861      0.93729832      6.94460224
  H      4.27177544     -5.47723834      4.13673358
  O      0.92818027     -5.71987498      2.99620952
  H     -4.29069554      0.79881931      5.43823166
  H     -3.96904499     -1.76652276      1.45283557
  O     -2.64037746     -5.29363215      1.22429022
  H     -2.53141196     -2.00325034      5.46180056
  H     -3.72757295     -1.95576328      2.96657879
  O      0.00974244     -5.35971715      0.40400777
  H     -2.73979984     -0.71073943      6.29602752
  H      3.40580878     -3.64479076      2.46952463
  O      2.56687046     -3.26715545      5.70668692
  H     -1.67579640     -6.12636519      4.70925844
  H      2.86886745     -2.20238820      2.51844103
  O     -0.29185255     -3.23871413      3.14720520
  H     -0.68080221     -5.38314647      5.63258535
  H     -0.88031499     -0.36346547      5.14859129
  O     -3.32218496     -5.86966204      3.76583005
  H     -4.66583991      0.16876340      3.21733435
  H     -0.76863461      0.22531175      3.71744922
  O      3.50337301     -4.99535954      3.84352422
  H     -4.23584585      1.64513365      3.34375244
  H      1.22473378     -0.65044694      4.12522212
  O     -3.97966026     -1.30175899      2.29807147
  H      0.03013289     -2.12629746      0.31367332
  H      1.10913183     -2.04517932      3.51590968
  O      3.18825291     -2.88685910      1.91447048
  H     -0.88437656     -1.05968137      1.06237747
  H      2.08918992     -2.87055319     -1.03699905
  O     -0.35005028      0.22207050      4.59001969
  H      1.83658971     -5.59616406      3.29631222
  H      2.19085332     -2.93772487      0.50349462
  O      1.75790618     -1.37489441      3.77445690
  H      0.39753885     -6.03945158      3.74206121
  H     -2.42552101      2.80059610      3.68842941
  O      1.56553982     -2.93839790     -0.24318650
  H     -3.01872741     -4.52326657      0.78862038
  H     -2.79728086      3.70156084      2.48593184
  O     -2.76990056      2.79442466      2.77692978
  H     -1.73863388     -5.37993057      0.88143853
  H     -2.04877311     -3.17732864      3.72168255
  O     -2.94932158     -3.13651542      4.07370808
  H      0.54143009     -4.62110325      0.09167100
  H     -3.25494628     -4.05203970      4.09422290
          69
 Energy    -248.19234610096856     
  O      3.23631834     -2.00756654      0.74253763
  H      4.12965091     -1.73595297      1.00783229
  H      2.95633395     -0.52451304     -2.02730896
  O      1.99413533     -1.66512514      3.15362052
  H      2.67775447     -1.94252222      1.52974561
  H      6.72618534     -4.30573101     -2.07499940
  O      9.15858494     -1.27646905      3.15266434
  H      2.06768433     -0.70767356      3.26194221
  H      6.05510016     -4.41152116     -0.67053321
  O      3.51634159      1.74934550      0.89875248
  H      2.64519692     -2.05056080      3.75327132
  H      6.46352107     -4.21810905     -4.61901142
  O      4.44201391     -4.42868750      0.19995738
  H      8.45932815     -0.60931486      3.05579191
  H      6.00701663     -2.95261111     -3.85541824
  O      4.96061318      0.10906956      4.40776256
  H      9.73844351     -0.95924554      3.84137522
  H      2.91769625     -2.58117923     -3.09915895
  O      2.53873565      1.12375675      3.34552638
  H      4.45605194      1.95424514      0.83712780
  H      1.93673152     -1.81750942     -4.01964005
  O      9.18996375     -4.72192077      0.40182478
  H      3.30849830      1.21221040      0.12326663
  H      4.17127409     -3.16569846      5.51061273
  O      7.47400916     -1.62686132     -0.81617353
  H      4.79254233     -4.58512368      1.08574559
  H      4.69299329     -3.19325382      4.05911197
  O      5.83754714     -1.52022728      1.40579069
  H      3.90725415     -3.62485519      0.29458068
  H      6.72022281      2.94334286      0.29325469
  O      9.85811427     -1.92709198      0.46771380
  H      4.75675314     -0.81782010      4.58081803
  H      6.29150239      1.57349502     -0.27055327
  O      3.26802089     -0.11932149     -1.21040466
  H      4.13312242      0.51339625      4.11699525
  H      5.70214629     -3.10187066      2.24728450
  O      6.90649509     -4.34744263     -1.12628392
  H      1.96347329      1.82814899      3.63161722
  H      6.57183673     -4.14853035      2.95566581
  O      6.16627140     -3.90958718     -3.76731659
  H      2.85256613      1.36343959      2.45543288
  H      3.75111080     -4.38780164     -1.63558755
  O      2.70403232     -1.70447968     -3.46518485
  H      9.66367123     -5.49928073      0.11579775
  H      4.41679903     -4.20144344     -3.01241579
  O      4.20120032     -2.65817741      4.70311519
  H      8.39276339     -4.66418178     -0.14962089
  H      4.51757779     -1.32456311     -3.90258573
  O      6.35787877      2.09686922      0.54557597
  H      7.27819435     -2.54886726     -1.02249999
  H      5.75085614     -0.57774090     -3.35723780
  O      5.65328311     -3.94027173      2.73265156
  H      8.36496941     -1.60386880     -0.43635977
  H      6.52472846     -0.26632482     -1.41343453
  O      3.57418711     -4.12778382     -2.54680087
  H      6.41651140     -1.57367320      0.63453441
  H      5.04356862      0.24859905     -1.50327794
  O      5.48193880     -1.28539918     -3.95259695
  H      6.18582585     -0.81765477      1.96519073
  H      6.88666384      1.15342431      2.11363494
  O      5.96785278      0.48504123     -1.67366748
  H      9.72135546     -1.66569381      1.38753259
  H      6.37385230      0.50421122      3.45678117
  O      7.10544073      0.53050755      2.81708258
  H      9.80632760     -2.89148904      0.45365058
  H      8.63034257     -3.14523168      3.16212963
  O      8.36757576     -4.06945616      3.07009436
  H      3.17630540     -0.80329252     -0.52801414
  H      8.70231610     -4.35683596      2.21136200
          69
 Energy    -248.19224174394625     
  O     14.73460758      9.37982087    -10.32267372
  H     14.49765297     10.07947654    -10.94667154
  H     15.25981706      5.65297427    -14.78815017
  O     12.45021566     10.55805725    -15.98410037
  H     15.51035204      9.63855073     -9.81053933
  H     12.47946675      7.16587351    -10.57356584
  O     16.58783126     11.13810766    -13.48975358
  H     11.63045363     10.42723199    -16.45479195
  H     13.52181424      8.06923585     -9.88277200
  O     13.59521783      4.75115618    -12.46489025
  H     12.48678085      9.87463627    -15.29514823
  H     18.15299084      8.17618065    -15.40851150
  O     17.54522063      6.83559679     -9.23446847
  H     15.69622981     10.98688468    -13.14689092
  H     19.51518216      7.57029458    -15.81063183
  O     15.89519301     13.08713893    -15.31131846
  H     17.20018930     11.06334997    -12.74386684
  H     12.86235262     12.14096928    -14.94653396
  O     16.07844202      7.71764523    -12.12974414
  H     14.18414641      4.59389464    -13.21100875
  H     14.07145319     13.05664340    -14.68662277
  O     13.98527962     10.81810430    -12.54731324
  H     14.16469643      4.87927801    -11.69421739
  H     13.58320090      8.21099865    -14.28640401
  O     18.90981319      8.17601542    -12.40498552
  H     16.71522674      6.36690603     -9.39576849
  H     12.31581551      8.07181591    -13.40856270
  O     18.23518481     10.64744516    -11.37264738
  H     18.18111386      6.41517565     -9.82451406
  H     15.36876272     11.75249226    -16.59490851
  O     18.04246190      5.13231442    -13.70260163
  H     16.50121087     13.82278166    -15.34380571
  H     14.19418912     10.77366800    -16.77030739
  O     15.39040245      4.69340493    -14.69269999
  H     16.24008567     12.47019515    -14.64344020
  H     12.35622743      5.98016198    -12.41702554
  O     13.01485749      7.25084886     -9.77696832
  H     15.63587851      8.32313627    -11.51945072
  H     10.85534421      6.30852674    -12.24761025
  O     18.82431581      7.52074868    -15.15426941
  H     17.01980046      7.92541945    -12.13286489
  H     14.43664439      6.14830232    -10.00735190
  O     13.22336892     12.77905656    -14.31777059
  H     13.65760761     11.60441254    -13.00670608
  H     15.58896814      6.28727724    -11.03056144
  O     12.79856056      8.68619305    -13.97623526
  H     13.55164941     10.05935800    -12.96009133
  H     18.73599465      5.35960709    -12.09259825
  O     15.11339120     10.92435965    -17.02249988
  H     18.98792598      8.00348999    -13.35138046
  H     19.87012246      4.99163736    -11.10994898
  O     11.71603366      6.71037932    -12.33599956
  H     19.16331579      7.36190314    -11.95074780
  H     15.44751352      7.46126912    -13.71486966
  O     15.22138814      5.69619183    -10.35669907
  H     17.92265779     10.40847487    -10.49249611
  H     15.68862277      8.05306774    -15.12320898
  O     19.19026027      5.63900856    -11.27756227
  H     18.63262107      9.83749514    -11.72496643
  H     17.36346825      9.77610557     -8.04888558
  O     15.15235255      7.41222382    -14.64065113
  H     18.28164967      5.86727073    -14.28051591
  H     17.34599820      8.58165985     -9.02788434
  O     17.18400529      9.53912284     -8.95510599
  H     17.16044418      4.85629392    -13.97676218
  H     16.85473257      9.93110810    -14.82698678
  O     16.85961678      9.36721134    -15.61460708
  H     15.18623626      4.30052701    -15.53792209
  H     16.31317333      9.82546352    -16.26922442
          69
 Energy    -248.19211551916112     
  O     14.09509581      9.70884232    -16.87388235
  H     14.08344845     10.16927737    -17.70907681
  H     14.66260480      5.45851916    -11.63159928
  O     13.30344978      8.27631367    -11.67745186
  H     15.02422294      9.68983507    -16.58275290
  H     15.92227232      9.33624295    -13.27054294
  O     11.88188708      4.43496765    -11.68786275
  H     14.12736461      8.36413205    -12.18077461
  H     16.41288141      8.09106769    -12.49180984
  O     12.79852506     10.65920411    -14.50824418
  H     13.24186268      9.07297856    -11.13054728
  H     18.15374248      6.65335808    -14.78459933
  O     16.61680159     11.02084685    -13.46402626
  H     12.60181086      4.87713476    -11.22286136
  H     16.86078362      6.88826055    -15.54434103
  O     16.65559244      9.73200278    -15.98054637
  H     12.30625771      3.84355204    -12.32233372
  H     14.41496022     10.45216812     -9.95164762
  O     13.21131419      3.05506500    -13.82451797
  H     13.22018370     10.39618613    -15.33532520
  H     13.76441416     11.24535872    -11.10804530
  O     18.24425035     10.25494331    -11.26407371
  H     12.21851124      9.93135397    -14.25384054
  H     16.79437415     10.07771957     -9.95530200
  O     10.11145834      5.83193418    -13.22747396
  H     15.84186161     11.52318731    -13.17595019
  H     16.07681587      8.88385621     -9.29666614
  O     11.78156539      4.81268636    -15.32034740
  H     17.20645728     10.91885942    -12.70636954
  H     10.89318802      7.50809010    -13.58616367
  O     12.71212202      7.37194057    -16.11113500
  H     17.17734896      8.93001030    -15.84384152
  H     12.11087325      8.24034946    -12.98841859
  O     14.23977600      5.84448726    -10.85208863
  H     16.77486880     10.28251471    -15.19640464
  H     13.85580595     13.08160551    -12.80988162
  O     15.67769676      8.43928362    -13.01003369
  H     13.06313495      2.17138066    -14.15003857
  H     13.64166395     11.65937963    -13.37841297
  O     17.78702822      7.17071891    -15.50563428
  H     12.74346960      3.65814228    -14.43101261
  H     16.28588719      6.50104534     -8.44881415
  O     13.56684329     10.64792842    -10.37754006
  H     19.12802380     10.51043756    -11.01029538
  H     15.48963725      6.49699216     -9.77314656
  O     16.05027427      9.84277422     -9.38965970
  H     18.25155549      9.28856539    -11.36814663
  H     15.29137052      7.34410824    -14.36112568
  O     11.51162393      8.22947279    -13.75088456
  H     10.69592144      5.36916465    -12.60114089
  H     14.28584913      6.81226415    -15.42675952
  O     14.17520096     12.18460983    -12.75393735
  H      9.21642209      5.63782111    -12.96220444
  H     18.07338274      6.75005298    -11.99803457
  O     16.23364053      6.91414895     -9.30704628
  H     12.10372160      5.59819914    -15.77952944
  H     17.39758293      7.24581067    -10.67746325
  O     15.11794923      6.61812839    -14.98121507
  H     11.10158691      5.12875427    -14.71157051
  H     17.18942324      4.98212356    -13.10848097
  O     17.86969792      7.53410847    -11.47150160
  H     12.26678564      7.69336361    -15.31180000
  H     18.66508096      4.54575147    -13.21750888
  O     18.10402467      5.31005492    -13.11001318
  H     13.12869161      8.14054022    -16.52143693
  H     14.76192535      3.96533606    -13.33620199
  O     15.40882061      4.65663493    -13.15072429
  H     13.82526383      6.68160376    -11.11815880
  H     15.27808202      5.32912403    -13.84025782
          69
 Energy    -248.19211110092562     
  O     10.12089801     12.59592059    -12.17710786
  H     10.37136301     12.46012295    -13.09947238
  H     12.81310477     12.78509103    -13.95764507
  O     14.33512280      8.83114916    -17.71728840
  H      9.68123795     11.79146301    -11.87620512
  H     15.13804240     10.08137995    -11.46365418
  O     11.36040729      8.96143978    -12.06504662
  H     13.37977299      9.02218525    -17.71932629
  H     16.65409561     10.31551801    -11.72397883
  O     14.61873515      8.93121610    -14.90507365
  H     14.49570695      8.21516784    -18.42653546
  H     14.78043908      7.85215852    -13.35664966
  O     14.71640701     11.64192691    -17.28029118
  H     11.76863163      8.28392784    -11.51082567
  H     15.46572193      8.14306747    -12.01559540
  O     11.87886675      9.44765326    -14.69037133
  H     10.57554827      9.30126145    -11.61663943
  H     13.18223181     14.09344332    -10.89004527
  O     13.01421300      9.30777206     -8.56854954
  H     15.06468370      9.78001439    -14.77466640
  H     13.59195372     15.56096191    -11.16970173
  O     13.52355652     10.75248232    -11.73253152
  H     14.62693160      8.75830697    -15.85501374
  H     13.65651419      7.25431665    -11.27383764
  O     10.76147493     10.90573018     -8.73922274
  H     14.71369534     10.71221174    -17.53996330
  H     12.88890786      6.31247398    -10.31660561
  O     16.11727314     13.11891403    -10.58473643
  H     15.19882520     11.67702106    -16.44431462
  H     17.06742743     12.34527379    -11.83151874
  O      9.20892640     10.20541697    -10.82575459
  H     11.58161457      9.15952030    -13.81676249
  H     18.46170212     12.04475679    -12.43298430
  O     13.68993119     12.87479721    -13.55919149
  H     12.82933619      9.27228372    -14.73035720
  H     11.45812044     11.20128923    -14.69055982
  O     16.02917561      9.74440767    -11.26202710
  H     13.08562312      8.60451245     -9.22433869
  H     11.44788866     12.39696668    -15.66305724
  O     14.89975581      7.50040925    -12.46535220
  H     13.81257065      9.84216235     -8.64503381
  H     16.48517473     11.58405198    -14.02930063
  O     13.82984601     14.65593817    -11.35177728
  H     12.77233319     10.16860262    -11.89738983
  H     15.03920319     12.03833184    -14.31687525
  O     12.95971484      7.22208490    -10.59386565
  H     13.54651711     11.42660471    -12.42453131
  H     13.06324424     12.23892416    -17.36756878
  O     17.54217506     11.79809184    -12.48360726
  H     11.17779487     11.71263923     -9.06492122
  H     12.01374750     13.09478522    -18.11354476
  O     11.29915321     12.15643906    -14.73994081
  H     11.49154403     10.28958343     -8.57633166
  H     15.77825135     10.37326222     -9.59913588
  O     15.75987303     11.48406469    -14.65569816
  H     15.38345171     13.70533227    -10.80345052
  H     16.09093225     10.66418049     -8.11345298
  O     12.11405310     12.45226707    -17.41632044
  H     15.80047037     12.51185075     -9.90559974
  H     12.66435714     12.03218430    -10.60794223
  O     15.48122235     10.87146845     -8.81886628
  H      8.32088034      9.98462751    -10.56008588
  H     11.39221697     12.83442901    -10.97356199
  O     12.14050067     12.80456194    -10.35373237
  H      9.69729900     10.44095598    -10.01483343
  H     11.71014498     10.54530404    -17.58525736
  O     11.73156263      9.58634092    -17.48136539
  H     13.68517139     13.60425344    -12.92910221
  H     11.60464088      9.42798554    -16.53471485
          69
 Energy    -248.19208213353352     
  O     15.25657919      8.20571460    -16.45429695
  H     14.49070115      8.68056270    -16.10601375
  H     19.34461788      5.48111636    -10.55253219
  O     16.34697830      5.35301706    -11.62685561
  H     15.81382017      7.99770968    -15.68567248
  H     18.74095453      8.27978766    -17.63277080
  O     16.91207348     13.76033717    -12.66791545
  H     16.27937741      5.00246461    -12.52821992
  H     19.88037150      9.15147407    -18.21978587
  O     19.51301778      8.39616381    -14.76177227
  H     15.80552285      6.14840089    -11.60603104
  H     17.78693275      7.77852053    -14.48824827
  O     14.09644454      5.62127653    -15.64309210
  H     16.80807399     14.57243050    -13.15707123
  H     16.81161201      6.55812756    -14.32050603
  O     17.50240684     10.95244290     -9.43357687
  H     16.90634728     13.03835029    -13.31914092
  H     12.50206292     10.17683992    -15.33153050
  O     15.38246439      8.08283437    -12.12994378
  H     19.54601666      8.72687170    -15.66737986
  H     13.64325873     10.03114550    -14.29940041
  O     16.95135727     11.48963023    -14.23225904
  H     19.50606151      9.14802336    -14.15332890
  H     16.96071026      8.44264696    -11.23733223
  O     19.82996379      5.78070406    -13.96925100
  H     14.37260848      6.37648207    -16.17132625
  H     18.33152363      7.78233709    -10.93886567
  O     18.51576915      4.70115719    -16.08121359
  H     13.59996378      6.00537551    -14.90419446
  H     13.68873639      7.33497470    -12.93016088
  O     16.33126287      4.77334712    -14.33585989
  H     17.58304964     10.80533471     -8.49391851
  H     12.88886532      7.95282368    -14.07695705
  O     18.93297206      6.02988240    -11.21573568
  H     17.65501314     10.09543851     -9.86243225
  H     18.43080580     13.10827438    -11.67729042
  O     19.28775291      9.07182664    -17.47750464
  H     15.03992982      8.97531695    -12.27635326
  H     18.61545245     12.10957697    -10.52164561
  O     16.86939077      7.52383513    -14.33380986
  H     15.91054147      7.87420380    -12.91968129
  H     19.24669344     11.10311825    -12.34281350
  O     13.20468822      9.59583684    -15.04983250
  H     17.68718009     11.03880695    -13.79641289
  H     18.66824325      9.67491461    -12.19402795
  O     17.85274699      8.62027775    -10.90862559
  H     16.95383390     11.23127623    -15.16498752
  H     15.98798610     11.80759745    -10.27776056
  O     13.00254617      7.13549003    -13.57550404
  H     19.57982009      5.80238421    -13.03936570
  H     15.79582971     12.88389377    -11.35960071
  O     19.08183250     12.53566731    -11.25217556
  H     19.89739969      6.70741240    -14.24378347
  H     17.85259420      6.15593522    -17.15268527
  O     19.04670454     10.29293516    -12.83350219
  H     19.00349012      3.97889903    -16.46865393
  H     16.73918658      7.20930802    -17.41820871
  O     15.32123324     12.22437753    -10.83684432
  H     19.04788110      5.03335811    -15.33525057
  H     14.68606205     11.17557550    -12.15649256
  O     17.62869560      6.93953672    -17.67067679
  H     17.01852321      4.54089773    -14.97102822
  H     15.44164289     10.88302279    -13.46771666
  O     14.65654041     10.63334856    -12.95753959
  H     15.50898181      4.92944929    -14.82688344
  H     16.31321664      9.79164300    -16.81809275
  O     16.94131612     10.52249539    -16.77761300
  H     18.02017277      5.70501697    -11.32200676
  H     17.78061645     10.16251613    -17.08967365
          69
 Energy    -248.19200232144576     
  O     14.17087923      8.48308931     -9.29778232
  H     13.79981061      8.87511064    -10.10748937
  H     17.80682524      5.52064483    -16.24668010
  O     14.61951458      4.84468313    -15.09286840
  H     13.49987022      8.55610728     -8.62394931
  H     15.82908995     10.14634412    -15.30892386
  O     16.18641908     11.92076197    -11.33411636
  H     14.58669192      3.91513589    -15.30787751
  H     16.50365018     11.42556919    -14.75550821
  O     17.96720341     11.73875683    -13.65047092
  H     15.53993020      5.12600337    -15.21538128
  H     15.04569622      8.89137546    -12.28430277
  O     10.20101211      9.66441840    -14.88044846
  H     15.33832102     12.03309949    -11.78161970
  H     15.81453242      7.59047406    -12.00394956
  O     18.13440666      6.02760450    -10.84183030
  H     16.84623067     11.97376760    -12.03374067
  H     14.95195832      6.94634818    -10.11052983
  O     12.02365341      7.94596942    -13.58099716
  H     18.23953045     10.87356648    -13.29687878
  H     14.64458197      5.98124944    -11.29475605
  O     13.94156681     11.80004196    -13.04985302
  H     18.76004206     12.26026785    -13.74524527
  H     12.81846830      6.34253957    -12.81129761
  O     13.53543924     11.63326262    -16.82999745
  H     10.70837009      9.52993009    -15.70198934
  H     13.82242117      5.32479823    -13.38932220
  O     15.97413805      8.34998540    -15.26606217
  H      9.27802629      9.61385317    -15.11449417
  H     18.78952371      9.13379299    -11.66710167
  O     13.49281496      7.31638763    -15.89505333
  H     18.43774059      6.83970704    -10.41787574
  H     17.50879155      9.02730804    -12.51625205
  O     17.20706102      5.80881751    -15.56389334
  H     17.17787196      5.99504980    -10.70270284
  H     18.52521829      6.22884062    -12.58793509
  O     15.70383267     11.09878884    -15.18742361
  H     11.28319514      8.48632891    -13.88377383
  H     18.76709357      7.53169004    -13.35341490
  O     15.81924040      8.38328915    -12.55560743
  H     12.53862390      7.74281404    -14.37441882
  H     19.56349354      8.81033316     -9.18370936
  O     15.35315655      6.32183189    -10.72741231
  H     13.10514737     12.02627978    -13.48177767
  H     18.11852603      9.10444611     -9.65371870
  O     13.42630171      5.63461859    -12.56645226
  H     14.54946503     11.54944219    -13.75732553
  H     12.41081603      8.55600741    -16.77452158
  O     18.44023437      9.29670070    -12.55311262
  H     14.33844777     11.49699578    -16.30195986
  H     12.45480121     10.07653722    -17.05419943
  O     18.67011265      6.58168254    -13.47908323
  H     13.76156300     12.26433238    -17.50947992
  H     15.81518244      9.47760719     -9.28659910
  O     18.94252865      8.63597262     -9.88511791
  H     16.49203138      7.57977891    -15.52424312
  H     16.46879309     10.67056785    -10.03351588
  O     11.86040683      9.31758152    -17.00250196
  H     15.90563806      8.31698268    -14.29715187
  H     12.22593593     12.03765836    -15.43963690
  O     16.64643515      9.94608823     -9.41563918
  H     13.70011330      6.38367190    -15.76627674
  H     11.12470205     11.34580053    -14.61656766
  O     11.71861873     12.10606699    -14.62110802
  H     14.32743260      7.78395953    -15.74554120
  H     12.85967403      8.93834973    -12.32662621
  O     13.37947995      9.47400208    -11.71146134
  H     17.75452085      6.02539890    -14.78526129
  H     13.49371404     10.34829581    -12.10843696
          69
 Energy    -248.19199690457350     
  O     12.80015474      9.45942220    -10.88618703
  H     13.27229607      9.76162311    -10.09900223
  H     12.24881523     16.75727078     -8.17324485
  O     13.63940940      6.12507855    -12.93415734
  H     13.47154554      9.11798493    -11.48867198
  H      9.08966463     12.33924367    -10.14425981
  O     11.24306237     11.28105493    -12.19655722
  H     13.04892427      6.77556681    -13.35779366
  H     10.20671003     12.34489907    -11.21552976
  O     14.05560751     12.49201102     -9.81210271
  H     13.79149127      5.43701498    -13.57613025
  H     11.54654667      9.70945974     -7.12768697
  O     13.11163893     15.36689300    -12.70004711
  H     11.95890890     11.84001745    -12.52437877
  H     12.14325183      8.68140922     -6.13528674
  O      9.00792254      8.73257383    -10.55697596
  H     11.69142761     10.59985147    -11.67108614
  H      9.69724702     10.96462275     -7.93558145
  O     13.62044946     12.60950341    -12.61064284
  H     13.20647026     12.72535932     -9.40787183
  H     10.94794146     11.83387513     -7.69287509
  O     14.36475421     15.29731459    -10.11943333
  H     14.35575954     11.70036003     -9.35069741
  H     13.65548667      9.65376910     -7.96542882
  O     11.34864349      7.63070368     -9.42272376
  H     13.10107401     16.02416095    -13.39043250
  H     14.87781879      9.20060055     -8.80940726
  O     10.80901797     15.45265728    -11.25006338
  H     12.24671434     15.41095828    -12.25441749
  H     12.76696626      8.87011877    -14.16665982
  O     15.14346873      8.38752674    -12.15914230
  H      9.72586654      8.22517793    -10.15641601
  H     11.32037313      8.41687415    -13.82930784
  O     12.12806459     16.00783894     -8.74916819
  H      9.19699531      8.79154663    -11.50067065
  H     10.19699804     10.09055967    -12.99297401
  O      9.70744013     12.91527689    -10.61127357
  H     13.50934278     13.55549123    -12.76548338
  H      9.09646277      9.59197310    -13.95835652
  O     12.17528323      8.96840021     -7.04376210
  H     13.84114020     12.50426831    -11.67395556
  H      8.50278771     10.13728896     -9.69120275
  O     10.50116757     11.02551131     -7.40651810
  H     14.47183131     14.34737467     -9.97581595
  H      7.35837810     10.85421745     -8.93641436
  O     14.32093464      9.96169524     -8.59553156
  H     14.09888727     15.39566523    -11.04255641
  H     14.65641012      9.66748590    -13.48498284
  O     12.19816046      8.09327356    -14.05435676
  H     11.54328517      7.96248129     -8.53723350
  H     13.98920633     11.04787559    -13.64496805
  O      9.70503704      9.30280665    -13.28236326
  H     11.81207663      8.23030979    -10.02954923
  H     16.38250126      7.12754354     -9.10380111
  O      8.27086673     10.94483068     -9.19748821
  H     10.28766903     14.65408907    -11.09693032
  H     14.92417757      7.01269285     -9.61297324
  O     14.05564251     10.17371256    -14.04806853
  H     11.11241203     15.74702857    -10.38203695
  H     12.72962141      6.39461552     -9.81567146
  O     15.65412821      7.63745164     -9.44780067
  H     14.76998104      7.55513364    -12.48109278
  H     13.52947116      5.93543270    -11.05452419
  O     13.57372949      6.01566499    -10.09272324
  H     15.49485390      8.20380894    -11.28038638
  H     10.96739994     13.15566042     -9.33157690
  O     11.63731499     13.24993192     -8.63817203
  H     12.98579092     15.83979575     -9.18032049
  H     11.76098278     14.19689226     -8.50024268
          69
 Energy    -248.19186961376019     
  O     18.48829051      9.56128248    -10.37727617
  H     17.97836737      9.49600693    -11.20537290
  H     12.34698308      9.02182250     -8.71085005
  O     16.22124212      3.17390079    -10.15221466
  H     19.35642561      9.87948944    -10.61097490
  H     18.06088792      7.12134171     -4.76771608
  O     13.37322117      5.55437902    -11.02272231
  H     15.28128138      3.01625318    -10.00511237
  H     17.07244483      7.47911278     -5.89866700
  O     15.87914922      7.01774409    -14.09011413
  H     16.26805366      3.90674309    -10.78022941
  H     14.75499912      8.38107597    -10.14526367
  O     13.42064331      3.15078439     -9.57842135
  H     13.23829559      4.67393233    -10.65231971
  H     14.52295270      9.88705906    -10.44454364
  O     16.86397551      9.19186755    -12.49091220
  H     14.32564616      5.62746309    -11.18216540
  H     16.14951702      5.93412176    -12.56481856
  O     19.02427832      5.68006593     -7.83150063
  H     14.97312987      7.24114695    -13.81080795
  H     16.77244760      6.01439113    -11.14422125
  O     14.08025585      4.86960627     -7.61677108
  H     15.83879840      6.81982145    -15.02164894
  H     13.74431296      8.21216288    -12.28926285
  O     17.73773814      6.88158928     -9.89525916
  H     12.83256960      2.47478471     -9.25398853
  H     13.21494198      6.79105931    -12.47258631
  O     15.21851776      7.15388953     -8.82104138
  H     13.63476429      3.72734392     -8.82068619
  H     13.34933999      9.27565378     -4.80882842
  O     15.94068603      8.64741428     -6.65861768
  H     16.72068813      8.50544129    -13.15054238
  H     14.32076676      8.83677163     -5.92983134
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  H     12.42331117      6.75259665     -9.97008473
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  H     18.65306542      6.06084731     -7.02614058
  H     11.01682064      7.37225193     -9.97845804
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  H     18.71690274      4.76434455     -7.86649652
  H     16.08950424     11.00515302     -8.65496701
  O     16.13860565      5.52708282    -11.69113257
  H     13.37951456      5.37316749     -7.17818771
  H     17.44912168     10.33149482     -8.95724516
  O     13.45167729      7.58579025    -12.96765204
  H     14.77508827      4.66146983     -6.97548117
  H     16.69442625      5.13887325     -5.75628367
  O     13.38289261      8.89336647     -5.68190980
  H     18.27877338      6.45975905     -9.21114109
  H     16.78648225      3.85074091     -6.60435236
  O     11.82325960      7.32545427     -9.46841759
  H     18.07217060      7.77493342    -10.03409419
  H     11.90228715      6.82324460     -7.62173516
  O     16.88625281     10.64973812     -8.24080329
  H     16.11101854      6.98125704     -9.15626600
  H     12.48891584      7.31125549     -6.27835455
  O     16.20759810      4.34527206     -6.00888944
  H     14.83996324      6.32096735     -8.51288008
  H     13.68625250     10.91948103     -8.93950862
  O     12.12301750      6.53815656     -6.72510482
  H     16.34220464      9.42259314     -7.07854983
  H     14.01688889     12.25465197     -9.65275299
  O     14.38584112     11.41005871     -9.40932085
  H     15.62652846      8.09182434     -7.38932747
  H     17.28004568      3.12345858     -8.76964445
  O     17.84382346      3.10719203     -7.97606334
  H     12.75044059      9.56992441     -7.32293146
  H     18.28849593      2.26372835     -7.97608773
          69
 Energy    -248.19159015755713     
  O     -1.88578201     -1.49080648      1.68113247
  H     -2.46167659     -1.18773333      2.40410281
  H     -1.45605786      5.10671418      2.80827632
  O     -6.59694991     -1.63516240      4.76154440
  H     -1.57701237     -0.68509415      1.24683118
  H     -1.57974201      3.91789298      4.77627763
  O     -5.63874436     -1.47960171      2.06096606
  H     -6.51479119     -1.62961177      3.80018571
  H     -1.28628183      2.40923083      4.61261946
  O     -3.78028658     -3.34224041      0.91865678
  H     -6.12393705     -2.42395632      5.05088686
  H     -1.29306712      4.22176468      0.75914410
  O     -1.29402880      1.07280258      1.01429089
  H     -4.96289812     -1.11842740      2.65704579
  H     -2.73117191      3.90407112      1.21581288
  O     -0.48423538     -3.12550481      3.39194977
  H     -5.20959210     -2.21099362      1.60332428
  H     -1.04227175      0.49542180      6.70988560
  O     -0.66250515     -1.03729085      5.35232205
  H     -3.71208872     -3.65533950      0.02017741
  H     -1.63294823      1.91631764      6.58694705
  O     -3.23508207     -1.72176106      6.13305887
  H     -3.08132114     -2.67688046      1.03867885
  H      0.49955949      4.20266244      3.21617179
  O     -4.89942924     -3.86524095      5.52109754
  H     -0.70310519      1.73009197      0.62871614
  H      0.77206656      2.68605138      3.24149344
  O     -3.73727569      2.33788389      1.34864918
  H     -2.16691487      1.48748815      1.09261401
  H     -3.51705828     -0.95930818      4.48187721
  O      0.31432412      3.24597492      0.25372508
  H     -0.87136363     -2.54586460      2.71394887
  H     -3.71796475      0.39070441      3.73837468
  O     -1.03141789      5.30906750      3.66158851
  H      0.27892927     -3.54020979      2.99636268
  H     -6.74039890      1.01066241      0.27021462
  O     -1.79409308      3.04927339      5.13642440
  H     -1.53700250     -1.28674881      5.68777401
  H     -5.83739542     -0.02324205      0.95499828
  O     -2.04364051      4.58318430      1.24553306
  H     -0.40129516     -1.77861158      4.79402537
  H     -3.13976734      0.62825219      7.75197558
  O     -1.57362885      1.14977632      7.17466600
  H     -3.58931030     -1.14297065      6.82080214
  H     -4.12739861      0.31935616      8.90239945
  O      1.07258837      3.51741455      2.84962201
  H     -3.80681187     -2.49630062      6.06799449
  H     -6.15443637      0.02094656      5.49615336
  O     -3.54623684     -0.55113757      3.60801310
  H     -5.17088613     -4.68513996      5.92486289
  H     -5.31392809      0.68934345      6.61428266
  O     -5.82512256      0.77398486      0.40390112
  H     -4.29734973     -4.09694512      4.79144180
  H     -2.21717109     -4.03835906      3.59257517
  O     -4.00564099      0.23315646      7.96095970
  H     -4.45490222      1.86219297      0.91018228
  H     -3.40732803     -4.13422907      2.61656162
  O     -5.81684727      0.87118152      5.81248224
  H     -3.95083218      2.34526252      2.29392404
  H     -0.69645191      1.05896169      2.80544784
  O     -3.12973121     -4.34001975      3.51771093
  H      0.68990367      3.36858510      1.14444082
  H     -0.43077891      0.39875296      4.20344462
  O     -0.33471674      1.20992685      3.68807452
  H      0.99183666      3.49292156     -0.36918588
  H     -4.83116974      1.78942352      4.67855448
  O     -4.17116665      2.10774969      4.04299539
  H     -1.07584666      6.25456840      3.77359873
  H     -3.43751393      2.50751432      4.52749621
          69
 Energy    -248.19117515882496     
  O     16.77304918     11.47148140    -17.33221623
  H     16.68900179     10.65657155    -17.82082244
  H     16.59216330     13.27434068    -18.16782964
  O     19.73604034     17.78346997    -14.79823255
  H     17.72297814     11.67452349    -17.28655069
  H     19.49912440     13.11057295    -17.84353073
  O     19.43012457     11.30867224    -13.07499929
  H     19.52776953     18.44680203    -14.12881668
  H     18.98020267     13.02391597    -16.39892418
  O     15.82532848     16.22079279    -13.31589833
  H     18.88310572     17.44170889    -15.10896083
  H     21.75452430     15.50816002    -13.73986723
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  H     18.49145400     11.18890349    -12.90984602
  H     20.73357034     16.67843999    -13.75025295
  O     16.55449447     11.82161446    -12.37679507
  H     19.58722852     12.23339812    -12.82708030
  H     16.51338811     15.04127145    -12.14209430
  O     14.10682823     14.90082997    -14.99089629
  H     16.44389207     16.43522082    -14.02661339
  H     17.24201714     15.02433632    -10.77223133
  O     21.21058436     11.94159869    -15.14029634
  H     15.07090445     15.80462309    -13.75624657
  H     15.98448361     12.17631073    -14.11987900
  O     22.41418088     14.37150545    -15.05734218
  H     14.76234664     16.68064963    -17.98856796
  H     16.01785003     12.05982374    -15.69269120
  O     16.74386808     18.20690274    -11.57991022
  H     15.67908334     15.44921955    -17.79278627
  H     21.37648534     15.43794633    -16.25153544
  O     19.43916848     14.03066610    -12.69087973
  H     16.09506053     11.31663976    -11.70940970
  H     20.51797993     16.72008904    -16.22059497
  O     16.63432834     14.18113702    -18.48866059
  H     16.67932771     12.71019385    -12.00504257
  H     19.85846083     18.18669588    -11.42913582
  O     19.30908466     12.48189988    -17.13711532
  H     14.57173842     14.05239575    -14.99513900
  H     20.70115859     16.91364131    -11.57807834
  O     21.22597835     16.07975628    -13.16875832
  H     14.35207127     15.33579846    -15.81688484
  H     18.11242267     19.03862233    -12.28598334
  O     16.95756287     14.46193150    -11.50437524
  H     20.65255757     11.95850632    -15.92782505
  H     18.90167314     20.35223060    -12.49301038
  O     15.77168559     12.62474567    -14.94924380
  H     20.65732132     11.58207219    -14.43278724
  H     18.81448932     16.69085444    -10.11089608
  O     20.80160707     15.99574760    -16.79023371
  H     21.99931856     13.49095456    -15.04001277
  H     18.07423267     16.44074901     -8.77689600
  O     20.17102755     17.41311776    -10.94342751
  H     23.34643316     14.22770063    -15.19908250
  H     18.66668245     13.96651366    -14.32669898
  O     18.95318639     19.40748908    -12.61166729
  H     16.27835495     17.60544835    -12.17742960
  H     17.31989279     13.59432870    -15.03588779
  O     17.98271539     16.36389520     -9.72284323
  H     17.04219214     17.66008715    -10.84378836
  H     19.89530429     15.24178132    -18.07528121
  O     18.18376575     14.00963088    -15.16273493
  H     20.04410157     14.78026172    -12.74411672
  H     19.83894140     15.01134501    -19.60109439
  O     19.43945647     14.74395751    -18.77764949
  H     18.65339647     14.29117710    -12.19428208
  H     17.74334141     15.68800257    -15.54825508
  O     17.40973043     16.59780277    -15.60143076
  H     17.57017977     14.39260044    -18.60172851
  H     16.67824395     16.59346139    -16.23015340
          69
 Energy    -248.19103553287920     
  O     13.56513663      3.43689091    -10.86237586
  H     13.37708189      2.49279061    -10.94044243
  H     12.69553724     10.67564486    -10.09536264
  O     13.20978564      4.39948462    -13.48091853
  H     13.41858320      3.81683463    -11.74012527
  H     15.75897851      7.60298080    -11.55753757
  O     16.32111783      3.13833756    -10.57027510
  H     12.54505007      5.09822791    -13.49620952
  H     14.26708713      7.14978473    -11.37895275
  O     18.54861635      6.24587377    -11.67850500
  H     14.04900074      4.80526732    -13.74041808
  H     12.06317053      7.25775409    -11.75683262
  O     13.10617444      8.33675543    -14.74065869
  H     15.36377228      3.23613633    -10.67580718
  H     12.53295135      6.91577503    -10.29462373
  O     13.91541697      1.73895192    -14.06003408
  H     16.60235843      3.91098325    -10.06315928
  H     15.65063315      1.52729650    -14.25449249
  O     13.45759776      0.66271738    -11.43673097
  H     18.14099735      6.00367103    -10.83453066
  H     16.82007962      0.84773851    -15.00339634
  O     17.22541278      8.68824521    -11.53419946
  H     18.41133465      5.48508808    -12.25195923
  H     10.61247476      6.70767949    -13.76709885
  O     15.71011260      9.17231308     -9.18629698
  H     13.31036954      9.13301440    -14.22652330
  H     12.05176148      7.25400126    -13.94975520
  O     15.66936996      5.61532255    -13.94501257
  H     13.92696116      8.09890396    -15.18153749
  H     16.14836255      5.96664766    -10.31373293
  O     16.71776329      9.81792592    -14.06329044
  H     13.57892133      2.64155577    -13.98373634
  H     16.36181995      6.00590514     -8.79602188
  O     13.37699123     10.13386883    -10.48591355
  H     13.63623668      1.29027540    -13.25239179
  H     17.36382943      2.98264670    -13.55052632
  O     15.15379739      6.84910404    -11.60509482
  H     13.04516300     -0.12054328    -11.08347438
  H     17.13059848      3.57657019    -12.15513012
  O     12.50582230      7.60796270    -10.97525251
  H     14.41958284      0.51039367    -11.41184570
  H     16.45201680      0.66953498    -12.43023733
  O     16.61502501      1.39012513    -14.24656092
  H     17.81227815      7.92418252    -11.64568145
  H     16.37602085      1.34969420    -11.05407655
  O     11.50196475      6.63642797    -13.43143474
  H     17.16326780      9.13616612    -12.38614657
  H     15.98244353      7.41297665    -16.53887314
  O     16.73519592      5.64894205     -9.60954556
  H     14.94179840      9.60251600     -9.58226716
  H     15.79134194      6.91428224    -15.08667547
  O     17.49634393      3.78376997    -13.02795191
  H     16.37067484      9.10793477     -9.88816798
  H     13.71304673      5.95324281     -8.62993513
  O     16.17587671      0.52319318    -11.51767609
  H     16.34791670      4.95881502    -13.73907003
  H     13.21103725      4.84612060     -9.61149178
  O     15.79587836      7.70770493    -15.65119715
  H     15.47747356      6.08206676    -13.11462248
  H     15.18202637      7.15419980     -6.79318906
  O     12.96060578      5.66161704     -9.15813092
  H     16.43474717      9.10112335    -14.65278079
  H     15.34500803      7.76636303     -8.20371639
  O     15.15898124      6.94003592     -7.72184886
  H     17.23656453     10.42006331    -14.59206450
  H     13.87885134     10.44070317    -12.29593645
  O     14.01267158     10.46699710    -13.25095208
  H     12.98569774      9.25484048    -10.63527430
  H     14.96033149     10.38195399    -13.40511312
          69
 Ord_Energy   -248.191010    
 O   -7.94621229       4.41315508       4.72750711    
 H   -7.34598875       5.14717913       4.88981247    
 H   -8.03837585       3.95561624       5.57411861    
 O   -1.65740895       2.66709018       7.11716413    
 H   -1.63257039       3.18559027       6.29254818    
 H  -0.810856044       2.78451109       7.54047823    
 O   -2.71483469      0.616881132       5.45378256    
 H   -2.43987322      0.846470058       4.55712223    
 H   -2.23528671       1.19832432       6.05935907    
 O   -9.55965519      -1.46375585       5.11811638    
 H   -9.80356979     -0.598350763       4.73903370    
 H   -10.0665894      -2.12143183       4.65034246    
 O   -10.8855209       2.20818019       6.80181122    
 H   -11.7572594       2.43418121       7.11468887    
 H   -10.6690207       1.33441126       7.17436600    
 O   -4.83290720      0.189178735       9.11318779    
 H   -4.69166231     -0.354686737       9.88327503    
 H   -4.61403942     -0.357197374       8.33576584    
 O   -6.39599276       1.14532781       3.69752955    
 H   -7.19754553       1.59875059       3.40123630    
 H   -6.05358648       1.62632525       4.46755600    
 O   -8.53960037       2.64713120       2.76834607    
 H   -8.36785603       3.36024761       3.40653229    
 H   -8.11134434       2.89188170       1.93878376    
 O   -4.57820415       2.63926601       2.19934392    
 H   -4.53399801       3.42343378       2.76781344    
 H   -5.18275976       2.01492429       2.62952209    
 O   -6.86030388       3.25700521      0.605428517    
 H   -5.99451065       3.10284138       1.00910842    
 H   -6.71789885       3.23495412     -0.337940574    
 O   -1.69253743       3.86056590       4.68301296    
 H   -1.62735641       3.17022967       4.01305676    
 H   -2.55031419       4.28110266       4.52701092    
 O   -4.95996046       2.29015398       5.71770191    
 H   -4.93280506       2.54057169       6.64784098    
 H   -4.23593807       1.66189671       5.58903837    
 O   -9.99921989     -0.221790552       7.66535234    
 H   -9.08491230       1.83566997E-03   7.88789797    
 H   -9.94037914     -0.784855902       6.88317966    
 O   -4.36821270      -1.19054914       6.83746862    
 H   -5.17658424      -1.26611269       6.31261969    
 H   -3.73060656     -0.709410608       6.29385996    
 O   -10.2278318       1.00176048       4.25449228    
 H   -9.73197651       1.57795477       3.65729642    
 H   -10.4916363       1.54081345       5.00891018    
 O   -6.13376045       4.86462355       7.84946823    
 H   -6.92915010       4.32242584       7.75102901    
 H   -5.44590282       4.27738047       8.18566895    
 O   -7.29829931      0.579317749       7.76382542    
 H   -7.10293674       8.94197673E-02   6.95231199    
 H   -6.54259014      0.460442096       8.34875107    
 O   -4.35433292       4.54094791       4.22031355    
 H   -4.60253954       3.78493905       4.77544737    
 H   -4.84719896       5.29324961       4.56847715    
 O   -6.81979942     -0.948816657       5.45089912    
 H   -7.72163296      -1.27287316       5.33202028    
 H   -6.66223049     -0.312508225       4.73841858    
 O   -2.09074521       1.63318348       2.87880588    
 H   -1.61360550       1.28271186       2.13083291    
 H   -2.94241238       1.95538330       2.54010773    
 O   -4.22924948       2.83584094       8.36600208    
 H   -3.32170653       2.83417511       8.03496075    
 H   -4.39828062       1.95860481       8.73531246    
 O   -8.25858402       3.13227916       7.21498203    
 H   -9.20731831       2.97634172       7.12828207    
 H   -7.86419201       2.26757121       7.39573145    
 O   -5.97684574       6.34412527       5.58208179    
 H   -6.12915611       7.26601648       5.76898909    
 H   -5.99486637       5.87682009       6.43752909    
          69
 Energy    -248.19097608226483     
  O     15.12565897     11.55748162    -15.71812787
  H     14.34803700     11.18841530    -15.26129689
  H     20.62459618      6.46127385    -13.79710403
  O     16.05103454      5.63744791    -13.19843282
  H     14.93282779     12.47583592    -15.88766026
  H     18.27369549      8.66486886    -19.26326916
  O     18.84691813      9.05775490    -12.44454411
  H     15.30754455      6.11500183    -12.80549779
  H     18.35706938      8.40943399    -17.75337495
  O     14.93667471      5.02020035    -17.58345618
  H     16.83082286      5.80914808    -12.65218053
  H     15.64299695      7.61656251    -15.64583265
  O     15.60575167     10.13369707     -9.41420749
  H     19.56013786      8.88142091    -13.07041055
  H     16.31586617      6.92612159    -14.42648847
  O     14.01094277      7.28986404    -12.25770390
  H     18.16399260      9.53238254    -12.93972547
  H     13.55526479     10.37940622    -13.40182267
  O     16.79177810     10.11125140    -13.96605222
  H     15.48891367      4.66201629    -16.86742147
  H     12.76480172      9.55583384    -14.42815681
  O     19.31659494      4.58426174    -15.87521432
  H     14.67420613      4.27214288    -18.11251574
  H     17.65110270      6.03634760     -8.33363737
  O     15.01444008      7.31416813     -9.57949313
  H     16.55480540      9.92769437     -9.49071209
  H     16.63611477      6.76172959     -9.25159017
  O     18.81873355      7.31666665    -16.33866027
  H     15.51396341     10.76279207     -8.70422143
  H     11.55996282      7.32101485    -14.83283784
  O     16.50339412      4.12416356    -15.52929768
  H     13.37384199      7.28947546    -12.98262756
  H     12.99957092      7.55391178    -15.34530620
  O     20.32118507      5.57638847    -13.56164519
  H     14.30627365      8.20940465    -12.17980200
  H     20.01376169      8.02257798    -15.19072946
  O     17.99703881      9.01438449    -18.41857449
  H     16.38152566     10.74059382    -14.57110959
  H     21.33970783      8.76857710    -14.91799097
  O     16.41559047      7.64246847    -15.06679686
  H     16.65757102      9.23500300    -14.36250004
  H     18.44244374      7.31249454    -12.00980562
  O     13.11785605     10.43748656    -14.26311992
  H     19.69382119      4.84423183    -15.01563113
  H     18.13591798      6.33671054    -10.83983566
  O     17.58342935      6.57916544     -9.11400370
  H     19.88115200      3.90121318    -16.22720722
  H     18.51872466      9.32514670    -10.60979549
  O     12.41278629      7.66161731    -14.57551018
  H     15.05755320      8.27056270     -9.45370723
  H     18.13374817      8.40927296     -9.42350323
  O     20.63520036      8.28711186    -14.49155865
  H     14.55675922      7.17116039    -10.41703776
  H     15.29415949     10.32684996    -17.17919697
  O     18.31338465      6.37938295    -11.78781556
  H     17.95555687      7.43356830    -15.91111962
  H     16.23436740      9.45835001    -18.05325464
  O     18.17467464      9.33130111     -9.70677331
  H     18.99616655      6.36785399    -16.34349903
  H     15.54072504     10.06147390    -12.63723855
  O     15.30859831      9.60100925    -17.81376970
  H     17.45679688      4.21696334    -15.63894907
  H     15.04045921     10.14502629    -11.15670233
  O     14.76840237      9.96010157    -12.06326344
  H     16.29063165      4.51414890    -14.67087137
  H     14.37171821      6.61696532    -17.07642203
  O     14.13363178      7.45542637    -16.65390473
  H     19.66161869      5.70724190    -12.86635369
  H     14.45977462      8.19443761    -17.19064219
          69
 Energy    -248.19081601713179     
  O     16.62785224     11.40463717     -9.70638785
  H     17.11800274     10.64491656    -10.06889001
  H     13.89843810      7.65623652    -14.10053355
  O     12.63560239      5.97103914    -11.55418696
  H     17.21540642     11.84469661     -9.09829358
  H     15.42711252      5.23318057    -15.92488127
  O     16.45917781     10.41764852    -15.45177515
  H     13.19265172      6.48838146    -10.95520268
  H     14.14198549      5.78993535    -15.27586013
  O     17.44179881      8.85264702    -13.43202443
  H     13.21986923      5.32975891    -11.97528716
  H     14.67706390      8.16158004    -11.87568420
  O     15.41893226     12.80420593    -14.40319903
  H     15.63231922     10.02289199    -15.76296027
  H     15.68377072      8.66620893    -12.95383380
  O     14.43122228      7.57939160    -10.16664882
  H     16.21960984     11.29039859    -15.11486877
  H     15.00334082     10.55083899     -9.24823037
  O     14.04878305      9.32496168    -16.57337576
  H     17.19997938      9.43802637    -14.16520771
  H     13.51122824     10.67375753     -9.59888722
  O     12.99436898     11.46951255    -15.20982051
  H     17.73440007      8.01279710    -13.80419249
  H     14.53522620      4.38437580    -13.76260692
  O     16.97705073      5.89892071    -16.86337803
  H     15.61462248     13.71775171    -14.59354646
  H     14.28131458      3.20546912    -12.79453770
  O     11.05751221      7.50752998    -13.11467839
  H     15.32651487     12.73466599    -13.43602015
  H     13.29906592      9.60117038    -12.81168890
  O     16.92926930      5.29355419    -12.05042155
  H     14.28545478      8.43593704     -9.73649015
  H     11.80442158      9.23384206    -12.91875976
  O     13.31904989      7.31059759    -14.79805837
  H     15.30602537      7.26549428     -9.90914513
  H     17.06530066      6.16428766    -10.57703179
  O     14.67511843      4.98664898    -15.37791872
  H     13.72674305      8.58735489    -16.03822367
  H     17.45847670      6.16137051     -9.07906232
  O     14.74909912      8.51875676    -12.77106327
  H     13.59098466     10.11498231    -16.25118293
  H     17.79389068      6.12603036    -15.27230080
  O     14.15190743     10.10392987     -9.15718472
  H     13.75053987     12.01073074    -14.95171385
  H     19.14007692      6.10003808    -14.51781172
  O     14.46256701      4.14166404    -12.82211483
  H     12.69664132     11.02652859    -14.40483142
  H     17.68337046      8.39424240    -10.34330270
  O     12.40769721      9.98230946    -12.83695285
  H     16.79386428      6.81195894    -17.14925713
  H     17.83188591      9.16767666    -11.67437661
  O     17.07926244      6.70365333     -9.76513643
  H     17.20113886      5.40693333    -17.64905484
  H     16.90869931      9.14992089    -17.04735830
  O     18.21284675      6.30582570    -14.41661179
  H     11.57187867      6.93822688    -12.51182872
  H     15.53118851      8.66964023    -17.46469887
  O     17.89786932      9.25869598    -10.71387324
  H     10.16196797      7.18258389    -13.10462231
  H     14.18013460     12.42742136    -11.40806165
  O     16.47303227      8.45829314    -17.55656343
  H     16.08759281      4.88271583    -12.28494225
  H     15.67172465     12.22657027    -11.08322443
  O     15.06958999     12.59524362    -11.74123990
  H     17.33442719      5.58633443    -12.87397029
  H     12.38323589     11.14896591    -11.52434464
  O     12.50750246     11.78093152    -10.79515543
  H     12.43298840      7.30798120    -14.41880427
  H     11.68320199     12.24843201    -10.69085179
          69
 Energy    -248.19062164217547     
  O     12.22533386     11.23822392    -14.26814690
  H     12.89269683     11.92710007    -14.35260233
  H     18.78445110      7.59042631    -13.34624294
  O     17.87983868     10.54821213    -11.50068635
  H     12.52897660     10.51298658    -14.83451272
  H     15.32739811     11.04006570    -17.24094662
  O     17.87660283     10.17939205    -15.74315139
  H     17.84005698     10.48361969    -10.53520314
  H     16.56969069     11.30949334    -16.38841172
  O     11.79945212      6.74397064    -15.65777424
  H     17.04601242     10.93288818    -11.80676598
  H     14.86401527      9.00698962    -14.76264172
  O     15.38793218      8.48807761     -9.10713983
  H     18.21092075      9.37563670    -16.16124415
  H     16.36033351      9.44141227    -14.88376836
  O     13.99486548      6.92270429    -12.27679057
  H     18.49163562     10.39848321    -15.03161297
  H     10.43121858     10.42391663    -11.79794123
  O     15.44932959     11.28857110    -12.59857331
  H     11.07635400      6.29977551    -16.09039249
  H     11.51340292     10.46803693    -12.90569199
  O     15.99923303      7.31333161    -17.05931214
  H     11.53016576      6.88559118    -14.73143983
  H     11.16366663      8.13527250    -12.73823381
  O     16.10375145      6.13021527    -10.58934132
  H     15.59873122      7.61218666     -9.45055116
  H     12.19330434      6.98766829    -12.70020776
  O     18.78753693      7.62001777    -16.52763941
  H     14.75426189      8.87059475     -9.72958499
  H     20.35215851     11.20196176    -13.41632748
  O     14.52290857      6.12733156    -14.99884601
  H     14.58217184      6.45905181    -11.66906784
  H     19.07134606     10.61022015    -12.78511562
  O     19.54954916      7.72092865    -13.92252302
  H     13.98316406      7.84393238    -11.97983556
  H     17.50480714      8.74638180    -11.90623530
  O     15.72734720     11.69872950    -16.66114279
  H     15.13326161     12.01436662    -13.14794741
  H     16.61112302      8.15797830    -13.01715290
  O     15.68103453      9.13940623    -14.26704634
  H     15.50743766     10.52248571    -13.19339365
  H     16.75996034      9.55941935     -8.85645962
  O     11.18924030      9.95842523    -12.14013851
  H     16.94433902      7.29069420    -16.87607401
  H     17.61589361     10.44204724     -7.93059171
  O     11.32573840      7.23710943    -13.05007034
  H     15.55410412      6.86466465    -16.32528501
  H     15.21451411      8.65754066    -17.78300603
  O     19.65256299     10.57128845    -13.56475331
  H     16.64292818      5.35485074    -10.45949606
  H     14.54390022      9.28884761    -19.02800116
  O     17.24174213      7.91537865    -12.32340052
  H     16.58968580      6.71239386    -11.20042171
  H     14.31223274     10.22139737    -11.59944774
  O     17.52842248     10.15601337     -8.83518499
  H     19.08879967      7.54423518    -15.60519231
  H     12.86658187      9.69517105    -11.39230804
  O     14.71823437      9.43486267    -18.10266544
  H     19.47835403      7.25268074    -17.07253172
  H     14.46167366     13.92364638    -14.81761999
  O     13.79345742      9.51706942    -11.18926445
  H     13.61309374      6.14256263    -15.31999126
  H     14.90156353     12.55055433    -15.37160122
  O     14.46955354     12.99151212    -14.61803168
  H     14.45998652      6.39298138    -14.07296135
  H     12.73418550      8.32926420    -15.78337880
  O     13.24219621      9.14998020    -15.75774475
  H     19.79687189      8.64484775    -13.79242917
  H     13.62823070      9.28041308    -16.63322996
          69
 Energy    -248.19046394029684     
  O     10.61314487     11.52515968    -10.70916146
  H     10.00120484     11.53476740     -9.97659902
  H     13.89371555     13.88808304    -15.85566916
  O     14.62985561     10.73555584    -13.01850271
  H     11.41408854     11.98333575    -10.40997509
  H     18.53148168     11.01883389    -16.94091743
  O     17.17123369     12.84170234    -14.27935337
  H     15.50906224     10.97867635    -12.69889455
  H     17.83015443     10.17464053    -15.85026673
  O     16.20280837      7.51040570    -11.82454936
  H     14.09086638     11.53493665    -12.98252868
  H     13.70648983     12.35019371     -9.90333227
  O     10.67655013     12.05638772    -13.46440239
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  H     16.35181443     13.24299636    -14.59559364
  H     18.19328324      8.92956943    -13.88248866
  O     15.00947840     11.32541908    -16.84146635
  H     15.96582611      7.24814660    -12.72232450
  H     17.22965883      8.15016943    -14.79926332
  O     13.17633495     13.10610206    -12.85958831
  H     15.40521555      7.89050626    -11.43155332
  H     15.79127055     11.45246569    -10.39012044
  O     14.11854406      9.25111652    -15.19148112
  H     10.93741630     11.20153001    -13.84240287
  H     14.71566072     10.40776633    -10.00234079
  O     18.38140476      9.08837168    -12.00842293
  H     10.48270177     11.90955678    -12.53080665
  H     11.00626676      9.91699567    -15.43816045
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  H     12.54878949     13.32380262    -17.60953802
  H     12.31186621      9.41766111    -14.78905405
  O     14.56588095     13.56669868    -15.23610766
  H     11.60684887     13.93532284    -16.56273320
  H     15.36892027      6.28260600    -15.04322110
  O     17.74191281     10.96779784    -16.40903059
  H     15.96251568     11.17185611    -16.82168428
  H     15.04885962      7.78426844    -14.86214747
  O     12.93860209     12.93650159    -10.03418764
  H     14.84153731     12.07131436    -16.24556845
  H     13.65657742     11.46484983    -17.98536365
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  H     12.29140805     12.82795401    -13.13465934
  H     13.06460609     11.50577513    -19.41225663
  O     15.04780179     11.29187056     -9.79365957
  H     13.15524173     13.20169816    -11.90044521
  H     11.25125507      9.01523639    -12.74910096
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  H     14.33534631      9.73308142    -14.37526620
  H     11.01980848      9.73144723    -11.40397806
  O     15.66542403      7.07713996    -14.60694190
  H     14.37290983      9.84915225    -15.90452910
  H     17.17997196     12.07934632    -12.64765743
  O     12.84153444     11.61983169    -18.49184453
  H     19.09961339      8.75181726    -11.47957949
  H     17.58407730     10.76528273    -11.89538981
  O     11.31823179      8.90134438    -11.79258363
  H     17.62113989      8.49517795    -11.86228563
  H     10.14503111     12.98642766    -14.89723766
  O     17.00330301     11.53651752    -11.86323007
  H     11.31212975     11.00374112    -17.52777876
  H      9.13058833     13.85236501    -15.67753237
  O      9.95757437     13.38464200    -15.76338700
  H     10.23617188     11.68418699    -16.66945487
  H     14.20631348      9.58376528    -11.71538360
  O     13.97425118      8.97323456    -10.99817265
  H     14.12731319     13.50538867    -14.37738701
  H     13.04069441      8.77178990    -11.14362117
          69
 Energy    -248.19035667240570     
  O     11.24242561      3.28454146    -11.25351152
  H     11.50306731      3.64827841    -10.39345228
  H     17.40026805      6.48947807    -17.33535177
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  H     10.43806879      2.79079239    -11.10597652
  H     17.14727641      6.18134348    -13.36409537
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  H     17.14808849      3.22067099    -11.44466427
  H     17.16005983      5.72345422    -14.84232821
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  H     14.48246916      5.31055073    -10.78815507
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  H     13.94292103      2.87082675    -12.96359527
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  H     14.66505561     10.60195968    -15.59908824
  H     15.38215284      7.54350708     -8.25070543
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  H     14.89295669      8.83990920     -7.55760431
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  H     13.02270347      7.42240742     -8.63190910
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  H     15.16091378      3.38969533     -9.73020126
  H     11.97800369      7.24014770     -9.76201499
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  H     13.91591558      4.08583859     -9.07674688
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  H     18.06252390      7.17126648    -11.59149653
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  H     15.96201955      5.46696174     -8.64040473
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  H     13.99110827      9.30680226    -12.09002609
  H     17.26962277      6.21537634     -8.97421053
  O     14.70863103      8.24788725     -8.28167474
  H     13.64581667      9.63654798    -13.54807645
  H     12.67922365      6.81034181    -11.58461855
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  H     13.72946936      6.69509237    -16.09934938
  H     12.21639825      8.22200536    -12.01800403
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  H     14.38161812      8.09970043    -15.99151788
  H     13.89193168      4.69443971    -14.51022417
  O     16.49801316      6.23488716     -8.39640011
  H     11.70430032      4.02652764     -7.91318287
  H     15.37577041      4.69762485    -13.98845228
  O     11.90881685      7.39963914    -11.60892991
  H     12.09128817      5.24576150     -8.78281354
  H     11.06343256      4.63494160    -12.62786535
  O     14.49150437      4.33186396    -13.84700672
  H     17.47503089      8.59896832    -13.87825308
  H     11.15179763      6.16775290    -12.71983870
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  H     17.35096302      8.22996973    -15.37017928
  H     12.00167635      4.95388096    -16.18830215
  O     12.49423813      5.40413049    -15.50654597
  H     16.13759467      6.80897000    -16.49611769
  H     11.91718589      5.43182406    -14.72257671
          69
 Energy    -248.19018647195102     
  O      0.00653658     -4.36856017     -6.50634341
  H     -0.87698453     -4.15674714     -6.18034682
  H      0.18117527      2.37998680     -4.84722717
  O     -3.37153007      1.00321242     -1.16432824
  H      0.45758496     -3.51485119     -6.56982759
  H     -2.34493785     -1.61776306      0.16055167
  O     -1.29622292      3.46651781     -4.45073304
  H     -4.04942939      0.93707399     -1.84681525
  H     -2.64818581     -0.11421986      0.22376348
  O     -3.00045537      1.46671389     -5.13708957
  H     -2.88476423      1.83423926     -1.28952480
  H     -0.25643768     -1.11678899     -5.45188559
  O      1.25644033     -1.90377425     -5.99797728
  H     -1.53877443      4.28539213     -4.87550079
  H     -1.09667185     -0.55224839     -4.23190231
  O      1.47819395     -1.95136437     -1.89791260
  H     -1.96488580      2.80656180     -4.71016963
  H     -1.70616255     -3.35127679     -1.76090260
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  H     -3.72716536      1.14428514     -4.58956737
  H     -1.89240357     -1.83189330     -1.75951909
  O      0.54489523     -0.92540417      0.60498966
  H     -2.45302589      0.69811126     -5.33853177
  H      1.76525374      0.90197892     -3.76093743
  O      4.42230016     -0.71156118     -4.49303695
  H      1.80930678     -2.27433057     -5.30027440
  H      3.11921052      0.19612972     -3.47611580
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  H     -3.77058742     -2.42878770     -2.54724965
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  H     -3.75138118     -2.65244045     -4.05404497
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  H      2.16282972      0.95953574     -6.22247730
  O     -2.16953344     -0.81966061      0.67892734
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  H      3.43690510      0.10943562     -6.00690839
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  H     -2.08240952      0.18221823     -2.16601141
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  H     -0.42530555     -0.88254262      0.68270787
  H     -0.55730591      0.23495828     -2.08459652
  O      2.28888485      0.46941791     -3.07031372
  H      0.88172881     -1.06659316      1.48592418
  H      1.71938191     -6.33060225     -4.61627207
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  H      1.01137613     -5.13292903     -5.29687315
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  H      5.36986260     -0.80126160     -4.42604003
  H     -1.47571809      3.26801230     -2.55456188
  O     -1.28152990     -0.24248141     -2.50500303
  H      2.54891940     -2.75630790     -3.15758137
  H     -0.78793201      2.59976117     -1.34736671
  O      1.54858276     -5.39701515     -4.52781183
  H      2.65281326     -3.91813400     -4.17989848
  H     -5.93549324      0.46110734     -3.53483378
  O     -1.60162834      3.04161551     -1.62547922
  H      1.35731873      1.20106484     -1.65480740
  H     -4.78226993     -0.56134895     -3.41424009
  O     -4.99199524      0.38997530     -3.41479603
  H      0.66904832      0.68589986     -0.35992752
  H     -1.57571389     -3.48988577     -4.27193958
  O     -2.15438027     -3.23792639     -5.00649992
  H      0.10224459      0.89253362     -5.22161185
  H     -1.92330563     -2.32263561     -5.21148921
          69
 Energy    -248.19006707873353     
  O     12.10139815     10.74585919    -15.36406341
  H     12.68338468     11.51254073    -15.30739535
  H     19.09191529      7.36409917    -13.83830777
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  H     15.69213552     11.14930405    -17.64975708
  O     17.79895218     10.43833751    -15.57676068
  H     17.05377396     11.20020928    -10.52727773
  H     16.63717872     11.53827210    -16.50814219
  O     13.22718187      6.21502194    -15.94881137
  H     16.47303182     11.21023877    -11.96733235
  H     14.83740420      9.18267523    -15.37514823
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  H     18.40463510     10.59838510    -14.83941377
  H     15.61772475      8.26623532    -14.40648624
  O     14.04109684      6.96975023    -11.91089026
  H     17.02164269      9.98969469    -15.20973078
  H     11.34996745      9.96816667    -14.01974851
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  H     12.87077603      5.42960715    -16.35453977
  H     10.08779585      9.79216556    -13.14038964
  O     18.08044228      8.53606749    -17.46791298
  H     12.67010983      6.40881531    -15.17111894
  H     12.54362292      6.72380220    -12.99765020
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  H     11.48188563      7.68424201    -13.57399832
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  H     13.93381806      9.49679814     -9.82633972
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  H     18.69827459     10.83607671    -12.62227974
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  H     17.35964790      9.16063817    -11.30194339
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  H     14.64328453     11.94399508    -13.63195737
  H     18.18033192      7.97254689    -11.84597302
  O     15.51269842      9.18352926    -14.68450010
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  H     15.69099282     10.63946337     -8.86138083
  O     10.98251860      9.48472444    -13.25770198
  H     18.96135404      8.48409011    -17.83134338
  H     16.29214619     11.80634593     -8.05980573
  O     11.88719029      6.81789848    -13.70196372
  H     18.09365902      9.24899977    -16.80287552
  H     15.73250601      9.33270573    -19.55985302
  O     19.31232502     10.59511256    -13.33083972
  H     16.39464130      7.32374448    -10.25162153
  H     16.51104821      9.00943392    -18.26555391
  O     17.43857735      8.19794335    -11.27454638
  H     16.20817133      6.27698116     -9.12338054
  H     12.40001302      9.62682885    -12.04747951
  O     16.38868838     11.31655755     -8.87138366
  H     18.00592606      7.21565266    -15.96310028
  H     13.80669107     10.27905923    -12.00383636
  O     15.67512520      9.36444683    -18.60772975
  H     17.22442306      6.50681224    -14.82777038
  H     14.68935593     12.51647934    -15.88061826
  O     13.23955358      9.62502154    -11.57211794
  H     14.79123686      6.24378402    -14.85625167
  H     13.96281725     13.76714804    -15.33728450
  O     14.05434811     12.82634818    -15.21116194
  H     15.06760407      6.53906459    -13.35747135
  H     14.26199910      8.96142915    -17.47765720
  O     13.63962476      8.86875529    -16.74550387
  H     20.34796959      7.19915836    -12.95324989
  H     13.48089642      7.92689153    -16.59638400
          69
 Energy    -248.18986118825262     
  O     19.73961951      7.51322569    -11.34435018
  H     19.92257383      7.64734846    -12.29123931
  H     12.26246841      9.83622743    -14.36355534
  O     18.27363630     11.54376054    -12.61562186
  H     20.53318580      7.14731180    -10.96238958
  H     15.40882711     10.09582354    -13.21185307
  O     12.35620029      7.73735638    -11.23224404
  H     18.29026831     12.50415183    -12.54273051
  H     15.08844480     11.59346595    -13.51744079
  O     15.10495718      7.31666042    -10.95882164
  H     17.34050501     11.31952376    -12.77423009
  H     13.59813565     10.47396722    -16.29358319
  O     17.38675588      6.03238851    -12.03423515
  H     12.19307322      8.29696073    -12.00615220
  H     12.18146507     10.86474978    -16.77427398
  O     13.82655200     12.73279452    -14.26867856
  H     11.50827726      7.62611699    -10.80886057
  H     16.89384068      9.48521279     -9.58622068
  O     16.79032252      8.08427761    -15.46783156
  H     15.40234562      7.96982830    -10.31219258
  H     16.21240887      9.16085622     -8.23306609
  O     18.34621703      9.77762469    -10.42993362
  H     14.13726374      7.35398609    -10.96997233
  H     19.50098572      7.05849528    -14.36328058
  O     15.21867049     10.05404155    -16.74337913
  H     18.13307356      6.51725118    -11.65989950
  H     19.72296817      8.58903119    -14.42434366
  O     18.08437644      5.76806159    -14.63498797
  H     16.59184766      6.35891564    -11.59507559
  H     15.41808780     13.56010949    -14.75597847
  O     17.38896936     11.91202412    -16.66496798
  H     13.30351520     12.61188882    -13.46170762
  H     16.78519060     13.99495134    -14.16772247
  O     12.35888767      9.40725788    -13.50579503
  H     13.41407338     12.17540321    -14.94089470
  H     18.15474134     15.09133614    -12.26917687
  O     15.65494597     11.00642174    -13.00250171
  H     17.45558560      8.75526371    -15.25578567
  H     16.91298376     14.26355667    -11.87015530
  O     12.72273124     10.78045113    -15.99391217
  H     17.20144734      7.22331371    -15.32190895
  H     15.27752126     13.21644453    -10.55908828
  O     16.03755171      9.28837512     -9.16149793
  H     18.86959898      9.01823008    -10.71487915
  H     14.67189726     14.58681176    -10.88353630
  O     20.05628707      7.77344523    -14.02783020
  H     18.40906386     10.43482357    -11.13454528
  H     18.66614554     10.57209142    -14.10849323
  O     16.33655823     13.75608391    -14.98702036
  H     15.90818700     10.72739432    -16.79142744
  H     18.35845198     10.69529027    -15.61266546
  O     17.66017347     14.30684009    -12.49184053
  H     15.66079504      9.25767859    -16.42354266
  H     12.34683125     11.00525876    -12.43852513
  O     15.50425960     14.12292715    -10.81903986
  H     18.13713318      4.84957434    -14.88304188
  H     13.11339444     11.72449919    -11.31378852
  O     18.69142127     10.08371248    -14.94373822
  H     17.78339912      5.79443283    -13.70792258
  H     15.11754633     10.76665009     -9.86794317
  O     12.47405730     11.86881649    -12.02285404
  H     17.03467682     12.59428809    -16.06682943
  H     15.10698765     11.28105805    -11.32342683
  O     14.79057671     11.47905873    -10.42754127
  H     17.72009250     12.36831288    -17.43418771
  H     15.10414324      7.96568148    -12.66837794
  O     14.91146363      8.42788079    -13.49443918
  H     13.24370229      9.00776332    -13.53261743
  H     15.56269158      8.18051435    -14.16275262
          69
 Energy    -248.18981819178560     
  O     11.83924828     10.80235088    -15.11053609
  H     12.36415280     11.60474810    -15.01646145
  H     18.96454245      9.10323404    -12.44716595
  O     16.36582833      7.41234122    -13.23546906
  H     12.35041921     10.21696407    -15.68789443
  H     16.34286123     11.97912049    -16.28790270
  O     17.04929885     11.78020490    -11.50301221
  H     16.00620203      8.21352974    -13.64949870
  H     14.91231205     12.53868337    -16.09155754
  O     17.59301133     10.90245959    -15.43882262
  H     17.22759896      7.63947042    -12.86888668
  H     14.70364364      9.44829962    -15.13636525
  O     13.37402876      6.36941729    -16.10311851
  H     16.97678342     11.54640324    -10.56949116
  H     16.09435244     10.09083952    -14.83055280
  O     14.30737180      9.47754298     -8.63648796
  H     16.15163182     11.74339065    -11.85820855
  H     10.00348221      9.37506107    -13.00359752
  O     14.24264615      7.08200101    -11.53807149
  H     17.72191481     10.13457561    -16.02209538
  H     11.24387501      9.88074172    -13.77654844
  O     14.48577574     11.40356537    -12.55203993
  H     18.19736034     10.84092812    -14.69306663
  H     18.11180664      8.24754008    -10.36930148
  O     17.41838100      8.78934770    -17.12079637
  H     13.01291309      6.50778127    -15.20838571
  H     17.01342877      7.77539804     -9.37375205
  O     15.31854412      6.97602710     -8.93973212
  H     12.89154830      5.64045859    -16.48324117
  H     12.98093460      6.82035987    -12.87876083
  O     16.24542904      6.54629073    -15.93154623
  H     15.05850780     10.07995115     -8.70230051
  H     11.83923526      7.66704622    -13.47486616
  O     18.84402154      8.19110656    -12.13860998
  H     13.75022528      9.63852936     -9.41031030
  H     19.79806073     11.42488108    -12.91840887
  O     15.55195867     12.27368762    -16.76221846
  H     14.57389550      6.88968685    -10.65340607
  H     18.33687876     11.20660469    -12.45290055
  O     15.33175071      9.64968843    -14.43152051
  H     15.01549584      7.13350612    -12.12066919
  H     17.21007759      9.98439806     -9.04639906
  O     10.95438127      9.31538951    -13.03791470
  H     13.92821362     10.89677708    -11.94891033
  H     17.24667837     11.18012502     -8.06355607
  O     17.74685643      8.39261688     -9.48898299
  H     14.78700982     10.76422591    -13.21886602
  H     15.18883003     10.45225213    -19.36518135
  O     12.38942809      6.89258598    -13.63947021
  H     16.73946884      9.15053899    -17.70232870
  H     15.32999872     10.98342493    -17.91852594
  O     19.06085285     10.82336084    -12.98417680
  H     17.05586298      7.96793649    -16.75754511
  H     13.45202134      8.72260338    -11.28078468
  O     16.81699821     10.85468749     -8.85043244
  H     14.91934348      7.84343107     -8.74212961
  H     12.19764583      9.53379660    -11.67080973
  O     15.24029533     10.17423643    -18.45493972
  H     15.13726506      6.41194343     -8.19281288
  H     13.95909816     12.50925382    -13.84978652
  O     12.98822251      9.55746626    -11.11716154
  H     16.36237033      6.67617350    -14.98160953
  H     13.49782381     13.86794667    -14.42157555
  O     13.68066204     12.96308425    -14.66313919
  H     15.30076099      6.39444317    -16.05052377
  H     14.06241613      9.38450490    -17.28420347
  O     13.53610450      9.11938850    -16.51892079
  H     19.63378962      7.71178074    -12.38003916
  H     13.46186458      8.15650577    -16.51185302
          69
 Energy    -248.18967149904202     
  O     18.12632625      8.75776545    -10.17011041
  H     17.58166474      9.36753758    -10.68635668
  H     18.70221708     12.15178421     -9.89635331
  O     14.62875368      8.76684803    -11.81499892
  H     17.75485114      7.87013828    -10.24979007
  H     17.66815356      9.97710207     -7.37144292
  O     19.48812547      3.78130344    -13.07512367
  H     13.71269203      8.86298310    -12.06102755
  H     18.31783468      9.08634473     -8.44023142
  O     21.61467558      7.14167348    -11.21784060
  H     14.66341268      8.82180671    -10.84116135
  H     20.49153258     10.39419754    -11.29607807
  O     14.85516773      9.03087873     -9.15262964
  H     19.71470724      2.91238955    -13.39633363
  H     19.56381016      9.19216491    -11.05232118
  O     22.30649071      7.50918600     -8.49220880
  H     18.58970090      3.97414749    -13.39396933
  H     20.40353892      5.37415009    -13.66152617
  O     15.80040489      6.65062711     -8.11460530
  H     22.00757800      7.23294021    -10.34124329
  H     21.25450951      6.48656395    -13.02033418
  O     20.33453592      5.76016172     -7.91584160
  H     21.23222015      8.00836603    -11.41856598
  H     16.17046159      4.06126329    -14.22921879
  O     18.13879697      6.80761917     -6.43566287
  H     15.12320716      8.21074746     -8.71054351
  H     16.75766384      5.37493251    -13.69129611
  O     17.19576381      6.15434398    -10.46786134
  H     15.28135759      9.75287669     -8.68035817
  H     15.91308220     10.10188874    -11.87499863
  O     16.29087917     11.17262213     -7.77297578
  H     21.61735669      6.87707306     -8.21703858
  H     17.05310376     10.69898046    -12.74100083
  O     17.74457745     12.21566136     -9.80665392
  H     23.10319815      7.26360614     -8.02905069
  H     18.11304856      9.78514704    -14.39176940
  O     18.36128885      9.31815526     -7.49815645
  H     16.20659416      6.34033037     -8.93700984
  H     18.03877520     11.12444558    -15.14386129
  O     20.26614149      9.52237850    -11.63738194
  H     16.50275964      6.61202686     -7.45652930
  H     20.14804974      9.81501084     -7.75281888
  O     20.77054806      6.25132426    -13.82252754
  H     19.54406925      6.01249011     -7.42391743
  H     21.48798846      9.21179265     -8.23837512
  O     16.98300245      4.46200166    -13.93064375
  H     20.04473582      5.37986510     -8.75495014
  H     19.53328438      7.56989581    -13.95079828
  O     16.74558363     10.58780142    -11.83038017
  H     18.12773182      6.82497432     -5.48169401
  H     19.38686502      8.82732243    -13.07067334
  O     17.62332535     10.62157578    -14.44802032
  H     18.23149585      7.72956706     -6.73204126
  H     21.22606419     12.56219286    -10.02442879
  O     21.01594256     10.04328731     -8.11137547
  H     18.06511065      5.73177024    -10.50215846
  H     20.79486529     11.23837404     -9.34951336
  O     18.93943225      8.30780182    -13.75438003
  H     16.91919016      6.32452591    -11.37688367
  H     15.86507387      7.64699004    -12.71400096
  O     20.59800287     11.84751306    -10.08498398
  H     16.80273557     11.61036449     -8.47763379
  H     17.32664451      7.53977048    -13.27806812
  O     16.53770005      7.03398868    -13.03498738
  H     15.84062373     11.86239096     -7.29329477
  H     20.37268394      5.83101924    -10.84615576
  O     19.75118454      5.12564824    -10.61398871
  H     17.36888361     11.77597412    -10.58290368
  H     19.69707004      4.54246837    -11.38091318
          69
 Energy    -248.18963182541017     
  O     -9.71927184      1.12842410      3.53598394
  H     -8.87617007      1.32685725      3.97295585
  H     -9.91189999      2.53368573      2.44403158
  O     -5.69561511      0.52411501      6.61768092
  H     -9.66527537      0.20350631      3.25915430
  H     -6.06958737     -0.37292087      2.41379132
  O     -9.04271710     -2.45100674      5.69481851
  H     -5.86292500     -0.37465516      6.28836382
  H     -5.81626892     -1.77745279      1.82882841
  O     -7.05986690      4.39503979      5.50403244
  H     -6.25043251      0.68268995      7.38962712
  H    -11.51816312      2.45933311      5.88948811
  O    -12.77413614      3.78943543      5.61755466
  H     -9.46283813     -3.22201266      6.06629922
  H    -10.48961401      1.61415085      5.08482112
  O     -7.36491557      1.73387774      4.76375367
  H     -9.27794846     -1.70089911      6.26945921
  H    -10.42705930      6.46262084      5.26957768
  O     -7.61014509      1.27351765      8.59381907
  H     -7.56157050      4.76329782      4.76126357
  H    -10.47988846      7.82840723      4.54365783
  O     -8.85898606      3.43400509      7.38935076
  H     -6.12542379      4.50477759      5.28923775
  H    -11.37576543      4.31684355      2.69760877
  O    -10.75787601      5.50407529      6.69859852
  H    -12.55640503      4.12309797      4.72818099
  H    -11.48238584      5.62851203      3.50770662
  O     -6.02976709      4.24261663      2.08594830
  H    -13.72485894      3.76010870      5.67751127
  H     -8.22111273     -1.48442612      2.74892881
  O     -5.73637297      1.39302666      2.59157070
  H     -6.86307351      1.23329867      5.42008784
  H     -9.17375200     -1.89153153      3.89016741
  O     -9.94296235      3.37834751      1.97099282
  H     -7.27377506      2.66591185      4.99864069
  H     -8.94202642      4.59468478      2.84207242
  O     -6.30481754     -1.31041077      2.50267898
  H     -8.02133589      2.08438996      8.25071702
  H     -8.96097789      5.95304174      3.58973975
  O    -10.73677773      1.90085838      5.97621472
  H     -7.54683043      1.38024428      9.53998114
  H     -8.92539756      0.10414862      7.79537295
  O    -10.30254763      6.90162330      4.40888473
  H     -9.46810842      2.90715963      6.84836901
  H    -10.11926409      0.39420299      6.86791611
  O    -11.97187115      4.83722222      3.25371558
  H     -8.20068178      3.82847425      6.79865465
  H     -7.21244840     -2.10643762      5.50442413
  O     -9.15008015     -1.49473948      3.00934082
  H    -11.51601304      4.95100087      6.46864864
  H     -6.22774294     -1.70283958      4.39136582
  O     -8.37507641      5.26133671      3.25755094
  H    -10.11250871      4.91447537      7.10473724
  H     -4.43190765      1.38289868      5.53563726
  O     -9.60993584     -0.32291786      7.26889130
  H     -6.81916148      4.68677123      2.43060693
  H     -4.37285100      1.53278549      4.00085711
  O     -6.31084721     -1.79748345      5.34761331
  H     -5.36043718      4.36657044      2.76944652
  H     -7.64580063      3.65483199     -0.78811370
  O     -3.96644206      1.83942209      4.82087336
  H     -5.76474250      2.25455372      2.16497439
  H     -7.11843566      3.72577273      0.65182394
  O     -7.85855818      3.41387153      0.11068436
  H     -6.34467754      1.47850254      3.34403080
  H     -4.19110171      3.54974808      4.64629775
  O     -4.43263713      4.47722301      4.47103557
  H     -9.33920152      3.31669306      1.21890435
  H     -3.66193764      5.00367931      4.66502468
          69
 Energy    -248.18955080764590     
  O     11.93726008     11.84651661    -11.45225530
  H     12.81429198     12.19431033    -11.21517920
  H     13.73913044      7.73611638    -13.24492065
  O     17.32218955     12.23323888    -13.29891646
  H     11.30006163     12.32174589    -10.92496512
  H     15.14568283      9.78558416    -13.16720860
  O     15.21505857      8.81472379     -9.39784326
  H     16.53829561     11.65817599    -13.31347735
  H     14.26550495     10.99131695    -13.62027116
  O     17.30036560      8.21041691    -11.17531767
  H     16.98652320     13.11927998    -13.13268192
  H     11.58919446      8.95814969    -16.24658835
  O     18.66174279      6.08438123    -12.27901965
  H     14.99135660      8.28491135     -8.63659942
  H     13.07967608      9.29962748    -16.01191433
  O     12.62622549     11.65152499    -14.20069906
  H     14.38585729      8.94862758     -9.89184844
  H     18.91423029     11.07406336    -10.14381008
  O     17.05804999      8.37320382    -15.62326557
  H     17.81971007      9.00732796    -11.35305183
  H     19.63092243     11.53695736     -8.86732632
  O     18.84278204     10.43594077    -11.84424639
  H     16.63762078      8.42323135    -10.50593189
  H     19.57237459     10.09530172    -14.80629820
  O     14.66734422      9.46802751    -16.68560450
  H     18.43584730      5.28174687    -11.81557664
  H     19.92615374      8.65578302    -14.39253037
  O     19.30641948      6.88000623    -14.81035305
  H     18.21423010      6.80188007    -11.80245112
  H     13.74382561     12.93120499    -14.92837446
  O     15.85403758     12.03588730    -17.10941980
  H     12.21688731     11.67619109    -13.32676332
  H     14.86653203     13.87950744    -14.45201801
  O     12.77968451      7.83508185    -13.15637170
  H     12.32521149     10.85610017    -14.66038013
  H     15.70284339     15.30166117    -12.35055327
  O     15.06135695     10.74549039    -13.13310867
  H     17.80126058      7.77727066    -15.47001507
  H     15.21584546     13.85952351    -12.08362881
  O     12.20229412      9.27321687    -15.58799589
  H     17.41955322      9.27157701    -15.61448554
  H     15.05391089     12.28571825    -10.26615387
  O     18.76584674     11.43255879     -9.25501480
  H     18.32310417     11.14617496    -12.24638320
  H     14.75609061     11.81852278    -11.71659695
  O     20.07348378      9.58047285    -14.16125662
  H     19.40696235     10.09207730    -12.55126647
  H     17.90500507     11.49173309    -14.84423565
  O     14.49551394     13.45775319    -15.23488312
  H     15.43090235      8.94321200    -16.41543776
  H     17.41889279     11.35919248    -16.29185866
  O     15.62121678     14.43963608    -12.75022160
  H     15.01308186     10.34501038    -16.89208534
  H     12.78801477      8.66569111    -11.56373558
  O     14.56707245     12.51762462    -11.07175548
  H     19.88115094      6.23526965    -15.21470761
  H     12.49485046     10.04060815    -10.93106545
  O     18.05406229     10.99543845    -15.66248040
  H     19.09677893      6.55075155    -13.91938970
  H     15.74192197     10.60894649     -9.03921719
  O     12.91150606      9.19133452    -10.75874821
  H     15.39365875     12.57869819    -16.44485108
  H     16.95545901     11.56404571     -9.00950342
  O     15.98846162     11.54105664     -8.99846724
  H     15.81174092     12.51812220    -17.93117154
  H     16.06476791      8.07368603    -14.14053321
  O     15.54254883      8.01650825    -13.32920648
  H     12.48817205      8.25163826    -13.97455272
  H     16.16001768      7.98989337    -12.58713056
          69
 Energy    -248.18953881166431     
  O     14.19586048      9.44872789    -15.00299348
  H     14.96660668      9.76546007    -14.51206735
  H     16.26091184     13.72205985    -14.34740862
  O     10.37473708      8.43263974    -10.57989421
  H     14.04343588      8.53809264    -14.72095054
  H     16.07867631      8.38397613    -10.41455247
  O     13.52378036      6.98139810    -13.81444145
  H     11.15142725      8.23647538    -10.03631095
  H     17.26421515      9.37581353    -10.35004633
  O     14.25934596     11.79885439     -8.83182478
  H     10.05889758      9.27827770    -10.25886525
  H     14.25315280      7.61688236    -12.22747413
  O     14.13668986     11.76826500    -16.66945886
  H     12.60629470      7.24186619    -13.60654352
  H     14.43281358      9.00321872    -11.53767584
  O     11.08132206      7.92350363    -13.24419727
  H     13.49185385      6.08567116    -14.13805062
  H     14.04962826     14.95465487    -12.52562682
  O     12.84174607      8.44034461     -9.24371076
  H     14.59030023     11.04264714     -8.33104496
  H     14.83709104     14.96961993    -11.18473234
  O     14.35251670     10.82892204    -11.49959872
  H     13.30182849     11.68421646     -8.93155391
  H     18.04507949     11.46234978    -11.34751700
  O     11.67642539     11.08965680     -9.44567031
  H     14.18047738     10.87379341    -16.30770694
  H     19.21502256     10.46682150    -11.52763651
  O     17.57991431     13.13112121    -11.18500883
  H     14.76803289     12.28593779    -16.15042509
  H     14.02666823     13.48629827    -14.01255627
  O     11.87800808     11.84472031    -12.14996183
  H     11.03550109      8.77228000    -13.70193517
  H     12.56208137     13.62735471    -14.46454951
  O     15.68861403     13.02605267    -14.69079546
  H     10.76382285      8.06978601    -12.34271973
  H     15.54706446     14.68824106     -8.81052725
  O     16.70518597      8.80554453     -9.80985711
  H     13.37400202      8.16916455    -10.00600250
  H     14.99435288     13.32067469     -9.26497094
  O     14.53371038      8.04741274    -11.41213945
  H     13.47913077      8.66876372     -8.55870545
  H     17.04106661     10.45752874    -12.96702694
  O     14.74703104     15.41192050    -12.03832879
  H     13.48151845     11.14488061    -11.77352074
  H     15.55501936     10.77259431    -12.75199571
  O     18.26343077     10.52526882    -11.50191622
  H     14.47422714     11.12178044    -10.58958930
  H     12.57043335     12.47057221    -16.35145197
  O     13.15020482     13.76960827    -13.71279637
  H     11.60908087     11.38053854    -10.36651293
  H     11.24842640     13.18152798    -16.73502244
  O     15.43586445     14.12857975     -9.57570989
  H     12.00301346     10.17929017     -9.46369392
  H     15.74754327      9.16166193     -8.40882042
  O     16.21878919     10.61290735    -13.44358345
  H     16.90120851     13.44295166    -10.57456029
  H     15.46997531      9.06827014     -6.88804244
  O     11.72919997     12.81475918    -15.99826634
  H     17.55497871     13.74118295    -11.93186200
  H     16.27621417     15.25928076    -12.85688101
  O     15.10608809      9.38595295     -7.70967708
  H     11.63812523     11.26433783    -12.88565544
  H     17.54649628     15.81919914    -13.54464218
  O     17.11060499     15.00909681    -13.29528516
  H     12.26653313     12.63157367    -12.55695989
  H     12.48727263     10.09751977    -14.67110637
  O     11.58548668     10.40461487    -14.49575853
  H     15.97189507     12.19908764    -14.27465725
  H     11.45073106     11.17934438    -15.05444604
          69
 Energy    -248.18949632947241     
  O     15.38800829      9.40388959    -15.74942401
  H     15.74604586      9.27633117    -16.63609255
  H     21.05742419      3.21832243    -15.77030148
  O     13.48171490      3.32489104    -15.72897015
  H     16.03935501      9.04067801    -15.14019043
  H     17.92790519      6.79337750    -16.71592888
  O     18.23467541      5.91087292    -12.10133620
  H     14.28270056      3.00805959    -16.18621457
  H     19.05666616      7.81919255    -16.42179493
  O     19.39837946      4.82624852    -17.93928762
  H     12.78138177      2.71268484    -15.93671958
  H     15.83894466      5.82776545    -16.07148056
  O     16.92046317      4.08296546    -19.13147712
  H     17.75163134      5.08203545    -12.23076948
  H     17.02000815      4.95063031    -15.51785056
  O     14.24772344      4.24310473    -13.17673486
  H     17.81269534      6.57287065    -12.66371478
  H     13.55217110      7.59579065    -14.00311514
  O     17.10368802      7.83596645    -13.93027369
  H     19.26786224      5.77495537    -17.81326661
  H     13.87962818      8.49723680    -15.21161013
  O     17.64613003      3.28940081    -14.99812008
  H     18.59394502      4.50497396    -18.36587899
  H     14.93327467      3.25364914     -9.98509660
  O     13.33630274      3.30089463    -10.74023845
  H     16.40798782      4.91120245    -19.11945869
  H     15.96480433      2.82612849     -8.91380569
  O     19.71662023      8.45462801    -14.79821500
  H     16.86863169      3.74568280    -20.02250851
  H     13.71103920      6.56731831    -16.05674881
  O     15.78381240      2.63649233    -16.94141443
  H     14.34496074      5.20471299    -13.12238989
  H     13.73432895      5.03694583    -16.38747809
  O     20.32187082      3.80484528    -15.61467615
  H     13.94665380      3.99094452    -14.05713557
  H     19.79605574      5.88448207    -13.14628340
  O     18.56956831      7.38961788    -17.13595253
  H     17.97263700      8.20182621    -14.13914570
  H     20.44300814      5.26910754    -14.41795810
  O     16.74443167      5.84938627    -15.73392493
  H     16.94560864      7.11293075    -14.56218955
  H     16.66064213      3.29639369    -11.44836686
  O     13.26531692      7.81626215    -14.89657294
  H     17.46516150      3.22751367    -14.05083304
  H     15.91581984      3.73896354    -12.71976939
  O     15.86417249      3.33574898     -9.71317145
  H     18.60013282      3.36504238    -15.12406081
  H     16.90695168      6.21691707    -10.65517459
  O     14.10605229      5.89232601    -16.62952436
  H     12.49353525      3.69350898    -10.52529178
  H     15.93814886      5.27777817     -9.93278279
  O     20.43563466      6.05014799    -13.85239825
  H     13.55479527      3.60765964    -11.63526411
  H     14.84843371      6.21399918    -18.25036160
  O     16.79342364      3.50344554    -12.38077705
  H     20.34727125      9.13108573    -14.56866972
  H     15.77646287      7.25688431    -18.89837272
  O     16.03148017      6.18352175    -10.24998907
  H     20.06843782      7.60919163    -14.46130515
  H     15.48475203      7.37535038    -13.03207055
  O     15.45299342      6.35456980    -18.99400459
  H     16.47324149      2.70426091    -16.26572616
  H     15.04679840      6.72225347    -11.70617082
  O     14.74851922      6.91876831    -12.60664269
  H     16.13546529      3.07821765    -17.72349794
  H     17.38938851      8.41971997    -17.98534271
  O     16.61087704      8.89082368    -18.32730482
  H     20.04573496      4.14894080    -16.48393267
  H     16.93402102      9.57269503    -18.91135426
          69
 Energy    -248.18945521031839     
  O     10.85290189     10.29760471    -11.93381685
  H     10.42689178     10.07469182    -12.77147540
  H     15.66952287     13.43628807    -14.34888892
  O     14.05274838      7.85911073    -15.53632686
  H     11.69064907     10.72141152    -12.15676795
  H     15.31780472      8.38585814    -14.34523964
  O     18.00454367      9.18607756    -16.76105597
  H     14.51916367      8.06345423    -16.35609749
  H     15.61429599      8.86231694    -12.88086112
  O     12.36688649      9.99208283    -15.13075468
  H     13.39584535      8.56129872    -15.41394467
  H     10.69863574      8.80362267    -11.04201515
  O     15.67067110      5.93858366    -10.26340547
  H     17.92770372      9.85276316    -16.06738780
  H      9.98496979      7.94545400     -9.96752509
  O     13.39245854      6.03922019    -13.53894158
  H     17.12789006      9.11258154    -17.15687945
  H     18.41791711      8.21425699    -11.02894831
  O     14.91248880      9.35552941    -11.28063387
  H     12.71104196     10.36977311    -14.30794832
  H     18.74080003      7.49321729    -12.35197934
  O     15.33570633      9.02790287    -17.76200293
  H     11.44422016      9.75543859    -14.98024244
  H     11.49380565      6.39466661    -13.45769477
  O     15.83405387      4.72284789    -12.86878024
  H     14.77102120      6.28523726    -10.34699992
  H     10.55948550      7.00390921    -12.38575101
  O     17.49040627     10.82302639    -14.48527385
  H     15.81758552      5.42785849    -11.06776784
  H     20.65883156     10.65180449    -12.91345566
  O     19.13997095      6.82645617    -15.96058078
  H     14.16971421      5.49458376    -13.36048305
  H     19.52780964      9.70790735    -12.47421609
  O     15.37913641     12.53011975    -14.41579175
  H     13.61326381      6.59431449    -14.30051589
  H     17.15787238      7.27250246    -13.66964030
  O     16.01752018      8.63349007    -13.72776520
  H     15.67345706      9.17211275    -10.71617924
  H     18.27408103      6.51417708    -14.44336311
  O     10.62178282      7.90419424    -10.67526163
  H     14.28458354      8.63143551    -11.13575476
  H     17.22909083      8.30472501     -8.83174246
  O     19.06598218      8.16675735    -11.74193841
  H     14.98377197      9.88720657    -17.46679454
  H     16.60166830      7.37210790     -9.89521159
  O     10.62326728      6.78934725    -13.32529434
  H     15.16531842      8.96838233    -18.69854257
  H     13.45055664     10.91672355    -16.31526737
  O     19.71039022     10.55672479    -12.91264872
  H     16.10313549      3.82621846    -13.05206163
  H     14.66907703     11.81272190    -16.06567442
  O     17.74097998      6.49845127    -13.63514917
  H     16.55820691      5.29884235    -13.17155893
  H     13.27512277      6.79407401    -11.88931623
  O     17.01383163      8.24443943     -9.75894813
  H     18.30172231     10.83022281    -13.95672084
  H     12.36201007      7.37124078    -10.76355982
  O     14.23044437     11.29201316    -16.74823333
  H     16.99502388     10.03058701    -14.22643902
  H     14.07498932     11.70777134    -13.30659478
  O     13.27538326      7.16590091    -10.99497405
  H     20.01265896      6.76242658    -16.33859880
  H     13.97568976     10.59686009    -12.23015515
  O     13.45156608     11.13925340    -12.83677196
  H     18.77010867      7.66585451    -16.28409616
  H      8.96704117      9.09846116    -14.76651965
  O      9.83149157      9.16531741    -14.37107059
  H     16.18236173     11.98016700    -14.43073294
  H     10.07753079      8.27139427    -14.07148395
          69
 Ord_Energy   -248.189392    
 O    2.35198784       10.2147474      -8.68820000    
 H    2.99328566       10.8436880      -8.33383465    
 H    1.47754943       10.5981884      -8.52715492    
 O   0.794941664       6.46721458      -10.1167212    
 H   0.977221727       6.81400490      -9.23037338    
 H   -7.98672289E-02   6.06062984      -10.1138983    
 O   -2.83342171       8.09225178      -9.41091347    
 H   -2.50861311       7.22891235      -9.69500828    
 H   -2.29620218       8.36875534      -8.65950775    
 O    3.92362809       8.42851925      -12.7607880    
 H    4.82768536       8.23827648      -12.9954643    
 H    3.51103950       7.58018303      -12.5134039    
 O   -1.29373431       11.0926056      -10.6477270    
 H  -0.799551487       10.2700481      -10.7984667    
 H   -2.21419907       10.8832560      -10.8433676    
 O    2.61324883       10.4271336      -11.4368048    
 H    3.16045094       9.75443935      -11.8667736    
 H    2.57579112       10.2576742      -10.4825039    
 O   -1.85800552       5.61714125      -10.4221201    
 H   -1.79572332       5.76047897      -11.3848801    
 H   -2.26805234       4.76580572      -10.2960749    
 O    8.86487216E-02   10.5408459      -14.4930439    
 H   0.222952813       11.2592659      -13.8666716    
 H  -0.704952836       10.0716925      -14.2020931    
 O   -1.58325791       6.13211107      -13.0532284    
 H   -1.83003569       7.04412937      -13.2550697    
 H  -0.753001332       5.97740602      -13.5212603    
 O    4.01843929       12.3828363      -8.01783085    
 H    4.16167784       12.5730572      -8.96223736    
 H    4.83638048       12.5750875      -7.56791306    
 O    1.77088082       14.4692869      -10.9819365    
 H    1.60054111       15.2930260      -11.4316168    
 H    1.31133950       13.7754173      -11.4845104    
 O   -3.71596336       9.84977150      -11.2559633    
 H   -4.66266775       9.94603539      -11.2113695    
 H   -3.46404743       9.19376373      -10.5788641    
 O   0.884534121       5.91405058      -14.4178896    
 H    1.02149153       5.40418100      -15.2120609    
 H    1.17355406       6.82326174      -14.6185074    
 O    1.23195887       7.76861715      -7.76547909    
 H    1.76826882       8.53196239      -8.01681900    
 H   0.382200390       8.12712860      -7.48100853    
 O    2.62610888       6.14854622      -12.1739130    
 H    2.05275011       6.16646624      -11.3949451    
 H    2.05335355       5.93202019      -12.9202089    
 O   0.661074042       12.2880383      -12.2162209    
 H    1.37377691       11.6615944      -12.0215597    
 H  -0.109769121       11.9937582      -11.7095318    
 O    1.83672941       8.41183472      -14.8128567    
 H    1.27478635       9.19908333      -14.7664089    
 H    2.58873224       8.56370449      -14.2323875    
 O   -1.87415254       8.91448021      -13.2307415    
 H   -1.11580598       8.82996178      -12.6302166    
 H   -2.60307217       9.24822235      -12.6943779    
 O  -0.153609738       11.4021482      -8.18091583    
 H  -0.624418795       11.3999424      -9.02736664    
 H   0.299297839       12.2543936      -8.10280514    
 O   0.187833697       8.88303185      -11.3532906    
 H   0.378977358       8.03838444      -10.9258194    
 H    1.03172481       9.29356670      -11.5660753    
 O    1.42502987       13.6372147      -8.23947906    
 H    2.31135154       13.3220444      -8.02411747    
 H    1.48946154       14.0133009      -9.12598896    
 O    4.07354784       12.8169193      -10.7042589    
 H    3.39923453       13.4928656      -10.8543711    
 H    3.72101212       12.0076981      -11.0931129    
 O   -1.25437379       9.08294487      -7.21463394    
 H   -1.62633312       9.18986511      -6.34202576    
 H  -0.896554589       9.94975471      -7.47091579    
          69
 Energy    -248.18935384536897     
  O     15.34862830      9.82399520    -10.34394865
  H     14.86757139     10.28571048    -11.04404915
  H     17.09219881      2.94160999    -12.32853941
  O     11.77518257     10.41080404    -15.46182485
  H     14.69883639      9.36894655     -9.79202770
  H     13.08409447      8.34347148     -8.07134336
  O     16.57948933     10.85676358    -14.02132100
  H     12.05533821     11.24591659    -15.05511765
  H     14.33981565      7.62697241     -8.62400691
  O     15.08016768      5.38270432    -10.88282958
  H     10.96545864     10.59477098    -15.93340808
  H     17.62586115      6.22289745    -15.59055125
  O     18.42887241      7.11307845     -9.00656057
  H     17.35552282     10.79019949    -13.45359353
  H     18.80748158      6.59869802    -16.51936624
  O     15.09784107     12.65084208    -15.66745375
  H     15.79193274     10.77581456    -13.46614499
  H     13.64672387     12.78681661    -14.76320645
  O     16.12119933      7.69766053    -12.03887447
  H     14.19402840      5.67342076    -11.14911027
  H     12.54159752     13.58845605    -14.02730826
  O     14.11600491     10.74903926    -12.61810267
  H     15.43052556      4.72957428    -11.49663248
  H     12.13245588      9.10259527    -14.14248125
  O     18.62928968      7.73789658    -13.17290550
  H     18.33963434      8.03265735     -9.31337900
  H     13.22959849      8.04353337    -13.85831419
  O     18.94192097     10.36128912    -12.51764870
  H     19.09061544      7.12021097     -8.31925048
  H     14.85605776      9.88354134    -16.92089278
  O     16.44638413      5.12346384    -14.97128694
  H     14.82122788     12.01267221    -16.34332926
  H     13.38227968     10.29402893    -16.69061995
  O     16.83780888      3.84933474    -12.47282519
  H     15.77014791     12.19739389    -15.14414249
  H     12.53184859      7.39509752    -11.93775154
  O     13.60871586      8.22837897     -8.85892261
  H     15.85974020      6.88941145    -11.57692666
  H     12.90199866      7.31320374    -10.43984607
  O     18.22931829      6.94546945    -15.84555061
  H     15.90325150      8.43641549    -11.45871699
  H     15.47748864      5.98044495     -9.23231194
  O     12.83371799     12.70435938    -14.22964976
  H     13.66796387     11.50127964    -13.02073329
  H     16.61998413      6.74457087     -8.54102037
  O     12.54530506      8.58884423    -13.43809340
  H     13.58853847      9.96642953    -12.83429919
  H     18.59145286      5.98413577    -10.53190142
  O     14.17575697     10.51716547    -17.18857547
  H     18.56317879      7.47297176    -14.09839427
  H     18.86991310      6.23542473    -12.02094748
  O     12.74422913      6.77785903    -11.22751143
  H     17.73590825      7.70577951    -12.79138633
  H     15.16195883      7.86122002    -15.04845601
  O     15.68051130      6.54194564     -8.46843687
  H     18.94986949      9.42096002    -12.76958577
  H     15.20125756      7.43228088    -13.55924219
  O     18.68283178      5.53607879    -11.38213287
  H     19.80139752     10.71441146    -12.73427421
  H     17.12468043      9.83466715     -9.91841905
  O     14.73864388      7.28294560    -14.39834798
  H     15.69745176      5.71397648    -14.81253699
  H     18.43931496      9.99543337    -10.70235656
  O     18.07703949      9.66737550     -9.87194220
  H     16.57272600      4.61790281    -14.15901899
  H     16.43913081      9.62069599    -15.35117122
  O     16.22712898      8.95820745    -16.02624654
  H     17.52420074      4.40249468    -12.05722969
  H     16.97841979      8.35731551    -16.09186437
          69
 Energy    -248.18890898598869     
  O     11.81141982      5.40562704    -13.65916144
  H     12.32892705      6.02812362    -14.18685504
  H     19.88868464      8.36628763    -14.64021063
  O     16.99366568      6.54564378    -12.23836048
  H     12.37872855      4.63811840    -13.51631565
  H     16.78574366      9.11484936    -14.22911179
  O     17.56281636     11.20759279    -12.01545042
  H     16.82132988      7.43427297    -12.59069459
  H     16.88253699      9.70986126    -12.79493376
  O     17.35026900      9.55758477    -15.97543443
  H     16.53638522      5.93743321    -12.83290448
  H     11.30708365      5.94194791    -12.06963756
  O     13.70909949      3.38520160    -12.85868536
  H     17.97968201     11.50111651    -12.83239700
  H     10.20975202      6.10332744    -10.99005460
  O     14.30203874     10.40973880     -9.47716627
  H     16.65316638     11.54791003    -11.97736445
  H     18.17235720     10.14862120    -10.66340228
  O     15.27785198      6.69225237    -10.02757257
  H     17.79904263     10.33030893    -15.60864187
  H     18.87900592      8.77735251    -10.53203334
  O     16.97767031      5.98436726    -16.27503278
  H     18.03425523      8.88780767    -16.12011050
  H     12.61525510      5.09023484    -10.52791835
  O     16.38087088      8.69591190     -8.41267481
  H     13.60463213      2.44193643    -12.77219667
  H     14.11476407      5.24194318    -10.19156502
  O     19.22594811      7.46180235    -16.16615829
  H     13.65405353      3.75944746    -11.96033824
  H     19.60974195     12.01037097    -14.74183386
  O     15.43719810      5.19737530    -14.07892335
  H     13.70531173      9.73348555     -9.82483000
  H     19.42566618     10.55368491    -14.24620126
  O     20.08794906      8.97073212    -13.91405691
  H     15.00996463      9.92166625     -9.04164667
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  H     15.91103504      6.61181938    -10.75328554
  H     18.67349023      6.95680220    -11.83392415
  O     11.14766874      6.18334841    -11.13960927
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  H     14.70039762     11.38987601    -10.96085899
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  H     14.36318015     11.17216624    -12.43953149
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  H     16.52541934      5.56761015    -15.52948248
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  H     14.04909151      7.49442157    -15.70003441
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  H     17.13130087      8.98647028     -8.96201122
  H     12.29761456      7.61181517    -10.83489943
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  H     13.81449999      7.68003121    -10.52581521
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  H     18.47879743      6.83681037    -16.16173028
  H     13.44559858      9.00560445    -12.33575668
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  H     14.80771109      5.89884255    -14.30342541
  H     14.72129320      9.23530525    -13.19017969
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  H     14.92376331      8.49500323    -17.88641392
  O     15.22061540      8.13617547    -17.05332147
  H     19.96123468      8.46222870    -13.10398971
  H     15.88956092      8.75031619    -16.70952416
          69
 Energy    -248.18882832148591     
  O     10.54980068     12.82413136    -11.05339406
  H     11.24714448     13.46134368    -10.83411892
  H     16.07969865      9.77156705     -8.98610743
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  H     14.94279795      8.44460031    -10.42739973
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  H     14.45719876     15.43191899    -13.18847468
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  H     10.90163816      8.00000053    -10.04861163
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  H     12.94793921      7.43446661     -9.63509575
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  H     12.37777382      6.23792080     -8.83224442
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  H     13.95690836      9.49087756    -16.38841141
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  H     14.83712583     12.08027296     -8.26469563
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  H     12.50274775      8.69517244     -7.93186858
  H     14.06963045     12.01324441     -9.58502066
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  H     15.89220596     14.06777802    -11.41121666
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  H      9.95887331     11.24804250     -8.42930903
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  H     13.24839229     13.95661102     -9.62916524
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  H     10.78624643      8.83735064    -14.92123861
          69
 Energy    -248.18882133952860     
  O     -0.68626414      3.00081188      3.31892491
  H      0.15577587      2.63564829      3.61254207
  H     -4.47527699     -1.21469963      3.47313439
  O     -1.49552966      3.48105301      0.76637648
  H     -1.37965748      2.49326349      3.76287479
  H     -2.24649855     -1.24384487     -0.20874266
  O     -0.43769226     -1.81166038      4.79517909
  H     -1.17037946      3.33128094      1.67187442
  H     -1.35111440     -2.37926941      0.34630059
  O     -0.84006574     -1.63681598     -3.42510190
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  H     -0.39451456     -3.94074999     -1.32619384
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  H     -1.15578271     -1.59525537      5.39939648
  H     -1.36964404     -4.82694582     -2.11519927
  O     -4.81283702      0.49522778      2.57844583
  H     -0.63455844     -1.33531361      3.97227329
  H     -1.67620887      0.24748197      3.01008519
  O     -2.07638350      0.03019012     -1.50447967
  H     -0.91091273     -1.74168526     -4.37056321
  H     -1.57888183     -0.84028763      1.87825567
  O      0.06449427      1.65147139     -0.72575011
  H     -0.83719825     -2.53123374     -3.04351214
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  H      1.28943417     -1.16301986      4.83870855
  O      0.26437504     -3.83232476      3.02266862
  H     -4.38504103      0.81630226      1.76480936
  H      2.52164837     -1.43283246      3.96194370
  O     -4.22621724     -1.90573714      4.09690381
  H     -5.72942899      0.75296629      2.51969628
  H      0.41046981      0.27856506      1.89813208
  O     -2.16360946     -1.87947192      0.51260586
  H     -1.32087893      0.58199938     -1.25149746
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  O     -0.78105379     -4.08111559     -2.20528499
  H     -1.78175809     -0.50474988     -2.25114724
  H     -3.50121037      1.10056988      3.74588952
  O     -1.08071747     -0.35526289      2.54898348
  H     -0.43899535      2.39756969     -0.37752774
  H     -2.67692345      0.63803925      4.97744770
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  H     -3.33822678     -1.31347582      5.43320192
  O      2.15694950     -0.80818942      4.59843748
  H     -2.68053617     -3.12203179      1.78275396
  H     -3.17550093     -1.02171531      6.94732837
  O      1.24480606      0.63329913      1.55042285
  H     -1.84358140     -3.95747745      2.76540297
  H      2.60218823      2.32815470      4.38678977
  O     -2.67815849      1.25086933      4.23086161
  H      3.76424736     -3.26142181      2.58202568
  H      2.00562205      0.90717411      4.27543201
  O     -2.76502497     -0.88587522      6.09834189
  H      2.81102189     -2.39350771      1.73557852
  H      0.90523037     -2.73602438      0.20079985
  O      1.89477302      1.83055397      3.98535486
  H      1.21047423     -3.65254862      2.94602817
  H      0.14338515     -3.64222940      1.20443743
  O      0.17315708     -3.36284931      0.27947468
  H     -0.03394867     -3.24998021      3.73643695
  H     -2.90016317      2.21765280      0.55739320
  O     -3.53287536      1.50198059      0.41967560
  H     -3.76731106     -2.59418495      3.59377632
  H     -3.20408700      1.00005698     -0.33613474
          69
 Energy    -248.18875194779986     
  O     12.24168951      6.84707139    -11.55139806
  H     12.64803684      7.45860804    -10.92577565
  H     18.25646940      6.15842026    -14.13122068
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  H     14.67427858      9.06509700    -10.12633797
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  H     17.47740498      7.94006521    -12.99169298
  H     13.28261735      9.71412106    -10.31979638
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  H     17.38627038      9.37859192    -13.58683640
  H     14.57746213      5.02752817    -13.04751022
  O     16.88816908      5.48837950    -17.00316666
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  H     15.12551099      5.09825253    -11.61357157
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  H     11.69557231      9.63191638    -13.56410554
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  H     13.18589436      9.93568288    -13.33368468
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  H     16.89692063      6.46454997     -9.59359902
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  H     16.26606483      6.77431457     -8.22961515
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  H     13.10680603     11.31141921    -14.87668885
  H     20.22500585      6.01462791    -15.80948708
  O     14.54519048      8.78931386    -12.97166696
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  H     19.18867267      7.14909569    -15.99178830
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  H     16.71083930      6.28026031    -17.52588072
  H     16.88458042      9.34781332    -11.07398678
  O     14.30800197      5.08613781    -12.12174062
  H     10.08173991      7.53300520    -13.75136954
  H     16.70168910      8.79351305     -9.64474734
  O     12.31591955     10.35797214    -13.42112765
  H     11.37442983      7.48472773    -12.90128222
  H     16.23359813      8.18795180    -19.23264287
  O     16.83802200      7.13979776     -8.90162906
  H     17.27920881      5.55095155    -11.81910819
  H     15.84857348      8.50351324    -17.77021949
  O     19.32264558      6.25766660    -15.62176177
  H     17.38893257      4.35038578    -10.85788721
  H     14.45763723     11.84731563    -11.13777086
  O     16.47700587      9.54100979    -10.21651294
  H     13.88510754      7.83813007    -14.28237863
  H     15.83118850     11.19884598    -10.87189530
  O     16.47840166      8.01502086    -18.32711091
  H     12.49268345      7.47013186    -14.81238594
  H     18.07389522      8.47130781    -17.39355056
  O     15.39422528     11.90977262    -11.35832273
  H     15.75708008      5.28547392    -15.61337751
  H     18.33510551      9.33209021    -16.14884229
  O     18.73605270      8.66080403    -16.71618032
  H     14.55831302      6.02598669    -14.96415214
  H     11.88963003     11.95191685    -10.59656761
  O     12.60575201     11.39898433    -10.89778444
  H     16.73411818      5.93864449    -13.90246514
  H     12.38761898     11.12075904    -11.80343110
          69
 Energy    -248.18873267534349     
  O     13.63717259     13.21407576    -14.43137827
  H     14.35781745     13.57046761    -14.96408495
  H     18.13928618     10.83836524    -15.09990692
  O     17.87970115      7.64300581    -13.53793818
  H     13.23648138     12.52262673    -14.97118688
  H     15.60936760      8.69750758    -19.64717928
  O     19.06547836      9.91005917    -12.30603013
  H     17.80510414      7.58401901    -14.49560248
  H     14.77498562      8.70750906    -18.34503439
  O     17.90172329     13.77192291    -14.28421250
  H     17.17243963      7.08052308    -13.20005433
  H     15.98814542     11.47962893    -12.75330394
  O     15.62060948      5.97192044    -12.84024098
  H     19.35916377     10.46794634    -13.03534262
  H     15.87768872     10.08034442    -12.11346845
  O     15.83350776      9.63329450    -10.29753685
  H     18.68895895      9.10912520    -12.69702334
  H     13.88818227     11.10761154    -16.49149852
  O     14.36358191      7.37860907    -10.92478274
  H     17.21712009     13.87857240    -14.95425193
  H     13.14137849     10.42090423    -15.31145253
  O     13.76535564     13.45053961    -11.73039428
  H     17.44000066     13.64108182    -13.44308975
  H     11.18010668      8.83221065    -11.78829217
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  H     15.74941341      5.07575011    -12.54145106
  H     12.52180233      9.16236477    -12.48242620
  O     16.99069254      7.96176906    -16.37624731
  H     15.15312360      6.44084382    -12.12580556
  H     17.00213068     12.60726277    -11.25930992
  O     14.61063314      7.15833790    -15.16498366
  H     15.04674224     10.18234304    -10.14012579
  H     15.64298821     13.28676555    -11.68686279
  O     17.27705595     10.44072918    -15.26762942
  H     16.60827136     10.16843704    -10.09456050
  H     19.07996675     12.51170337    -14.40529788
  O     15.63350920      8.95967124    -18.73093756
  H     13.51507714      7.81251733    -11.06507511
  H     20.45496188     11.96820415    -14.86995178
  O     15.79486813     10.55522668    -12.95080963
  H     14.95978033      8.06930700    -10.59993431
  H     18.72487353     11.51411524     -9.62588218
  O     13.01301827     10.96565334    -16.10402469
  H     13.26432317     14.22436706    -11.48506779
  H     18.44820923     10.82948882    -10.98757979
  O     12.09572033      9.03659432    -11.61715242
  H     13.67301614     13.35374235    -12.69512375
  H     15.64572654     10.66833619    -17.88198407
  O     16.54507999     13.08390106    -11.96511055
  H     12.99935678      9.20926727    -17.04114407
  H     16.21550816     11.07216321    -16.50561894
  O     19.62198595     11.70548373    -14.48896550
  H     13.60092793      7.83653520    -16.65507893
  H     12.90672972     10.44606235    -10.61612128
  O     18.04683087     11.36860778    -10.27965899
  H     17.15840751      8.83185437    -15.98050983
  H     13.51865573     11.86600516    -10.72216630
  O     15.61701157     11.36207106    -17.21331422
  H     16.69020683      8.14971400    -17.27273815
  H     15.67669403     14.60327872    -16.88169266
  O     13.51322013     11.06311967    -10.18695896
  H     15.44172916      7.40379908    -15.59783548
  H     15.72156244     13.07267665    -16.68189955
  O     15.76950960     13.92445795    -16.21699437
  H     14.86136260      6.62514512    -14.39968218
  H     13.87617441      8.56978523    -14.32120162
  O     13.53955958      9.37880043    -13.91173108
  H     16.81639008     10.37866434    -14.41826850
  H     14.30719013      9.86025290    -13.56716932
          69
 Energy    -248.18860087962059     
  O     14.74094411     10.45553336    -16.50484637
  H     15.25240791      9.88294872    -15.91661056
  H     11.80259860     11.46600826    -14.78645561
  O     14.64199198     13.61905832    -14.41776444
  H     14.01590460     10.80442616    -15.97342263
  H     16.15011263     11.78594773    -18.98264357
  O     20.08034657      8.77837235    -11.78731248
  H     15.37804222     13.00715532    -14.25804333
  H     15.64979887     11.49279717    -17.54887347
  O     20.74518842     11.28056883    -12.65812881
  H     13.86524579     13.06203363    -14.53809280
  H     19.66775178     11.38413533    -15.75767807
  O     13.58821900     10.72338485    -12.25505367
  H     20.42325307      9.65840794    -12.02202166
  H     21.21799879     11.27444558    -15.71216598
  O     17.52468355      9.64630163    -10.90383980
  H     20.80833896      8.29517142    -11.40516986
  H     16.10372857      8.91517250    -11.52943944
  O     16.26599333      9.15039859    -14.54859988
  H     20.63817364     11.15104418    -13.61158948
  H     15.14719622      7.69526478    -11.53425391
  O     15.46000715     14.60369287    -16.91436051
  H     21.09125583     12.17479955    -12.52607683
  H     16.50412702     15.88573044    -16.43275950
  O     19.24974039     14.87242202    -15.48890324
  H     14.13457436      9.93423033    -12.12960258
  H     16.90478724     17.37991254    -16.48072714
  O     21.34667907     13.95804288    -12.47748524
  H     13.95044480     11.38581771    -11.66869044
  H     20.98924117     14.92475394    -15.32301580
  O     18.24241856     12.41090342    -16.19981701
  H     17.66521244     10.59300262    -11.03702422
  H     22.29556032     15.75213760    -15.31882330
  O     12.75221659     11.53061741    -14.72694354
  H     18.37212731      9.23233890    -11.11049641
  H     18.88535934     14.75496640    -13.63298828
  O     16.19362692     12.09977587    -18.08376649
  H     15.89715939      8.81006824    -13.72564710
  H     17.73047968     15.20617112    -12.73974491
  O     20.40047736     10.87109199    -15.38943454
  H     17.20198054      8.89591626    -14.57433009
  H     23.59513469     12.20755317    -16.04622030
  O     15.30990589      8.53705859    -11.95084978
  H     15.08966573     14.28564583    -16.07883240
  H     22.47385228     13.22527886    -15.78625316
  O     17.09626320     16.55539955    -16.04270099
  H     15.68189987     13.81426551    -17.42057067
  H     19.31604688      8.53181014    -13.56589143
  O     21.94589912     14.88137357    -15.14736095
  H     18.58002181     15.53255421    -15.71001394
  H     19.49905172      9.30411861    -14.88438429
  O     18.60554619     14.79326900    -12.70888895
  H     18.92421339     14.01829849    -15.80842577
  H     16.51924731     10.90756318    -14.15469874
  O     22.64810200     12.32013927    -16.08397378
  H     20.48183377     14.36908170    -12.35070168
  H     17.22304262     11.92841748    -13.19764980
  O     18.95052766      8.63609837    -14.45147571
  H     21.67769981     14.30016215    -13.31620815
  H     15.50720817     15.12672661    -13.63401448
  O     16.70127529     11.84484477    -14.00576643
  H     17.70405942     12.24130235    -15.41133696
  H     16.41326993     16.21579427    -14.22384465
  O     16.13601423     15.81843648    -13.38963337
  H     17.65480935     12.30100298    -16.95646045
  H     19.11670139     11.84972749    -12.03002040
  O     18.25986062     12.21262697    -11.76343565
  H     13.00122763     11.19137336    -13.84961135
  H     18.30900013     13.16113327    -11.94720235
          69
 Energy    -248.18852042878450     
  O      0.57853295     -0.04156027      4.55871555
  H      0.19833659      0.83687542      4.41010393
  H     -2.30971462      4.58559262     -0.64986813
  O     -0.81297968     -1.95859302     -3.00636173
  H     -0.08994940     -0.52454890      5.05826768
  H     -4.41927741      0.05943691      4.84989067
  O     -1.73482689     -1.40257779      5.60573513
  H     -0.02769335     -1.55087047     -2.59872770
  H     -3.65764689      1.35647237      5.24597155
  O     -2.99113382     -0.95446865     -1.55456813
  H     -0.60712591     -2.09191218     -3.92757252
  H     -0.57356610      3.78745761      1.12181960
  O     -0.87150548     -3.81206141     -0.80512467
  H     -2.42127014     -0.71195650      5.63562033
  H      0.54109868      2.71857153      1.17395283
  O      1.62894011     -2.97804583      0.33712883
  H     -1.82150680     -1.91161118      6.40727066
  H     -2.28132582      0.61288382     -0.97499384
  O     -4.01202606      3.81660019      2.34957393
  H     -2.31935862     -1.27559516     -2.16965821
  H     -2.02875718      1.14009471      0.45649910
  O     -5.05702312     -1.08515329      3.29285537
  H     -3.02455814     -1.59533154     -0.83091875
  H     -3.27292231      1.11754331      2.10515763
  O     -0.80542926      2.28441422      3.92123930
  H     -0.86024929     -3.31854070     -1.63469994
  H     -1.85311942      1.34962262      2.76572825
  O      1.34949893     -0.98769029     -1.69042392
  H     -0.00974524     -3.65691808     -0.39975472
  H     -2.34789676     -3.36324856      0.07220693
  O     -5.07684195      1.31980037      1.82055614
  H      2.38670006     -3.42959732      0.69998554
  H     -2.76096896     -2.59840053      1.36451384
  O     -2.21450549      4.01255606      0.10728285
  H      1.31491395     -2.36335235      1.02183355
  H      0.72791596     -0.79377764      2.95996498
  O     -3.74497831      0.41479731      5.43870996
  H     -4.56013693      3.05661750      2.10525272
  H     -0.38668090     -1.52500448      2.20694355
  O      0.15644424      3.45932846      1.66014853
  H     -3.41838714      3.97347636      1.60630695
  H     -3.57280982      3.49190086      3.99082081
  O     -1.89723609      1.34851311     -0.48284341
  H     -5.49940168     -1.60133814      2.60608031
  H     -3.54109383      3.89821790      5.48311192
  O     -2.35717065      0.80957075      2.14284421
  H     -4.13911157     -1.38181474      3.26339239
  H      0.69010838      0.30293510      0.92342099
  O     -3.08543171     -2.91100606      0.50915677
  H     -1.53478629      2.75405682      4.34123696
  H     -0.12098196      1.12403863     -0.11190528
  O      0.51563365     -1.20499062      2.10728583
  H     -0.42858961      2.83481344      3.21639889
  H     -2.26269867     -0.82803161      2.61587417
  O     -3.29117400      3.20474212      4.87806928
  H      1.59109028     -1.70113002     -1.08630133
  H     -1.99707833     -1.78851952      3.82146290
  O      0.76532899      1.00105281      0.25936282
  H      1.28022465     -0.19803151     -1.13945548
  H     -4.85266153     -2.78851000      0.74878784
  O     -2.23178364     -1.76387561      2.88443445
  H     -5.24555660      0.97732574      0.92952538
  H     -6.30441913     -3.31991872      0.75277676
  O     -5.77305100     -2.55534687      0.96060098
  H     -5.22739344      0.57805174      2.41937883
  H     -5.74645387     -0.91170584     -0.09830464
  O     -5.48466262     -0.07754264     -0.50712744
  H     -2.15392575      3.10520309     -0.23566361
  H     -4.71003609     -0.28684293     -1.04400274
          69
 Energy    -248.18851907029222     
  O      1.59487081     -0.27017260      3.43969018
  H      1.12986982      0.55863985      3.62711112
  H     -3.33375169      4.74464379      0.71160017
  O     -2.40398806     -1.01190140     -3.36479395
  H      1.19590332     -0.92183044      4.02779403
  H     -2.92365432     -0.92293020      5.49640628
  O     -0.06192785     -2.10368862      4.92073765
  H     -1.55174461     -0.57571434     -3.18451991
  H     -2.15603306      0.37869144      5.86492165
  O     -3.93926277     -0.59213584     -1.05675292
  H     -2.55047525     -0.95207660     -4.30486871
  H     -1.01133957      3.90057215      1.53870306
  O     -1.51051908     -3.21105922     -1.73701247
  H     -0.73078811     -1.53202145      5.33892109
  H      0.10908839      3.00591328      0.96256352
  O      1.17519937     -2.24740000     -1.40413806
  H      0.19209589     -2.75195329      5.57213075
  H     -3.16847622      0.93361793     -0.44495965
  O     -3.73193005      3.23266157      3.88039161
  H     -3.52779267     -0.70351384     -1.92337336
  H     -2.43253525      1.23275627      0.88162178
  O     -4.02227556     -1.85580506      4.05975578
  H     -3.65657426     -1.34782466     -0.52335730
  H     -2.96292602      0.74842038      2.81827829
  O     -0.07674116      1.91416163      3.84747099
  H     -1.84376128     -2.58356369     -2.39052804
  H     -1.41756088      1.05816363      2.96647127
  O      0.02541415      0.00745540     -2.72481028
  H     -0.57182402     -3.00991867     -1.63996524
  H     -2.57596098     -3.13379325     -0.31935757
  O     -4.75094074      0.74248815      3.24136159
  H      2.04166332     -2.64463615     -1.43890385
  H     -2.52331164     -2.67201838      1.16713850
  O     -2.92400450      4.06724182      1.24446611
  H      1.10135519     -1.81194263     -0.53799432
  H      1.18261940     -0.70306753      1.77031776
  O     -2.10261666     -0.58497363      5.86970532
  H     -4.28046296      2.45785838      3.68938346
  H     -0.08243722     -1.44035922      1.32299727
  O     -0.11283764      3.58902485      1.69998822
  H     -3.47219519      3.59858704      3.02710438
  H     -2.68875153      2.69103871      5.14943179
  O     -2.67702139      1.61840606      0.02453419
  H     -4.65505541     -2.30088758      3.48070713
  H     -2.12624678      2.83079680      6.58368775
  O     -2.08182688      0.57000705      2.46232621
  H     -3.16511472     -2.01115823      3.64433057
  H      0.31157344      0.71626616      0.16455020
  O     -3.12368394     -2.87271893      0.43644967
  H     -0.62440709      2.19629931      4.58867590
  H     -0.88073811      1.58372745     -0.31491064
  O      0.69345735     -0.98462578      0.98122488
  H     -0.02889891      2.62651994      3.19020044
  H     -1.70943203     -1.09539871      2.50887846
  O     -2.07661780      2.29563796      5.79591393
  H      0.52229228     -0.75955498     -2.41314594
  H     -0.94845044     -2.20488250      3.30668049
  O      0.08613475      1.52320229     -0.31714600
  H      0.11619809      0.67109960     -2.02964063
  H     -4.67586175     -3.04281841      1.30670339
  O     -1.51861117     -2.05005673      2.54204847
  H     -5.21872906      0.54073431      2.41664424
  H     -5.98177421     -3.76487072      1.71073750
  O     -5.46273248     -2.98154925      1.87540945
  H     -4.61676599     -0.10612901      3.68100962
  H     -5.94339350     -1.19094320      1.25391880
  O     -5.90950104     -0.26986545      0.96762288
  H     -2.93703872      3.25133118      0.71655455
  H     -5.38091385     -0.27152071      0.15973772
          69
 Energy    -248.18831326916978     
  O     15.82556279      9.32579122    -16.61529059
  H     14.99425794      8.96748652    -16.28350723
  H     18.28764230      7.24474176    -17.80424614
  O     14.38354081      3.14234252    -15.91569935
  H     16.39181660      9.48415937    -15.85020984
  H     15.88841487      5.74898019    -15.90990425
  O     17.74236854      6.00117817    -11.39134381
  H     14.26474575      3.98672622    -16.37537008
  H     16.59120307      6.40616499    -14.67207571
  O     17.73818624      4.28821707    -18.64759093
  H     15.22499330      2.78801513    -16.22284166
  H     13.39219291      7.72441692    -14.80684065
  O     13.37198420      6.55124394    -10.58057850
  H     18.58625486      5.83674204    -11.82699368
  H     12.52076578      8.53013895    -15.79642149
  O     14.11938348      4.10655997    -13.38563360
  H     17.23860738      6.57543834    -11.99173373
  H     14.15101615      3.34974595    -10.08228324
  O     16.33823685      7.46389977    -13.18199411
  H     18.25540914      4.95872773    -18.18450464
  H     15.31092696      4.13587638     -9.44540530
  O     18.00921212      3.64536188    -14.37264419
  H     17.53288060      3.60402832    -18.00019204
  H     13.92405693      6.55463145    -16.62908042
  O     12.59925948      3.84512899    -11.10480710
  H     12.99046191      5.66451460    -10.62815543
  H     14.73417215      5.86575099    -17.78179827
  O     19.53479273      7.79524033    -14.81774489
  H     14.20645223      6.45084754    -10.10728900
  H     20.72649414      5.01614167    -13.12044034
  O     17.08480210      2.31147354    -16.62634468
  H     14.97174697      3.93028129    -12.96634960
  H     19.31331385      4.72408336    -13.66651598
  O     18.68183716      6.60887795    -17.19228232
  H     14.14327045      3.70091101    -14.26477437
  H     16.07629774      3.24317356    -11.25683290
  O     16.71454546      5.79803189    -15.41066587
  H     15.37370038      7.41127845    -13.18955124
  H     16.95860622      4.38068533    -11.81553554
  O     13.38216562      8.13367628    -15.68824736
  H     16.62949075      8.31988801    -13.52039748
  H     16.24944308      6.37553863     -8.49899221
  O     15.05582099      3.25822938     -9.75713989
  H     17.53049770      4.38701328    -14.78151364
  H     16.62462386      6.02895608     -9.95440940
  O     14.36363347      5.74060191    -16.89271655
  H     17.51360344      3.40388570    -13.57675834
  H     16.34283977      5.36439089    -19.17145744
  O     19.85028797      5.38636606    -13.20207034
  H     13.04428362      3.87357858    -11.96912120
  H     16.14444160      6.89162075    -19.23032470
  O     16.52955283      3.54827741    -12.05555129
  H     11.78224787      3.37011944    -11.23258730
  H     13.79403457      5.90882080    -13.45180891
  O     15.90856036      5.98563519     -9.30089854
  H     19.40657178      7.42466565    -15.70313992
  H     13.46229451      6.92112454    -12.33395944
  O     15.66610442      6.05453238    -19.24343438
  H     19.69403253      7.04389036    -14.23689129
  H     18.32720737      9.01364324    -14.54651311
  O     13.65124528      6.85164922    -13.28139454
  H     17.37764997      1.40842878    -16.72838756
  H     17.95026135     10.44847687    -14.09865691
  O     17.57954948      9.61976497    -14.38926172
  H     17.50797363      2.65222058    -15.82278280
  H     16.67783025      8.78691631    -18.03238304
  O     17.19982581      8.42714246    -18.77171060
  H     17.96858269      6.33431490    -16.59430267
  H     17.37864514      9.15314563    -19.36295020
          69
 Energy    -248.18828595340730     
  O     -0.29919503      3.07742848      0.75900660
  H     -0.52808915      2.85248200      1.67581623
  H     -0.20390620     -2.99806932      4.74241216
  O      0.00026402     -1.15816267      4.78020673
  H      0.15821329      3.91461486      0.79191855
  H     -3.83118862     -0.53240670      4.34506090
  O      1.21428692     -3.61049657     -2.24102728
  H     -0.33417766     -0.44516236      5.33416549
  H     -3.96311302      0.97342043      4.01838577
  O     -2.18869277     -1.55554615     -3.45835281
  H     -0.40573475     -1.00474400      3.91345602
  H     -2.94972388     -0.89713971      0.08296951
  O      0.59764127     -1.06855722     -2.96069614
  H      1.84348185     -3.97820858     -2.85555435
  H     -2.69035411     -2.30183576      0.70405372
  O     -4.04031440      2.40923685      2.69119561
  H      1.07408934     -2.68285157     -2.50451528
  H     -1.84177236     -3.97631573     -1.21631434
  O     -2.58435813     -4.56845964      3.26418105
  H     -2.70301977     -1.71623100     -4.24443675
  H     -0.69065120     -3.94424466     -2.23895031
  O     -2.34660251      0.16288121     -1.26650328
  H     -2.08242740     -2.41362140     -3.00899090
  H     -1.23247499      0.56714667      2.59765426
  O      0.36856815      0.77783052     -0.81531367
  H     -0.31705546     -1.13200783     -3.26317167
  H     -1.82832690     -0.70467042      1.90604484
  O     -4.03502470     -2.06131012      3.42524648
  H      0.62183049     -0.34394485     -2.32287249
  H      1.14873906     -3.61322292     -0.40343555
  O      2.06281435     -4.34825345      2.92769832
  H     -3.79965136      2.38016331      1.74814643
  H      1.12769074     -2.53815289      0.71743508
  O     -0.27818655     -3.93063542      4.49845729
  H     -4.76631956      3.02340330      2.76516185
  H      1.78039288     -1.35978676      4.10995339
  O     -3.68713977      0.35599316      4.70421032
  H     -1.76615012     -4.36399052      3.75211378
  H      2.54143305     -2.51892910      3.44700730
  O     -3.11199548     -1.44443601      0.86158848
  H     -2.94420190     -5.36231981      3.65075722
  H      0.47589068     -0.63993859      1.56077394
  O     -1.64968967     -3.87239639     -2.15755219
  H     -1.40678450      0.32973378     -1.10622876
  H      1.93961225     -0.97007807      1.93752602
  O     -1.04893393     -0.34521224      2.34757785
  H     -2.40424533     -0.36190236     -2.07419178
  H     -2.24814056      2.47067711      3.13193964
  O      0.99206258     -3.48137697      0.53987340
  H      0.22520655      1.61967271     -0.36725985
  H     -1.15930803      2.04954815      4.15330877
  O      2.54298811     -1.55964687      3.54972329
  H      0.83671146      0.21529527     -0.17969825
  H     -2.22061756      0.80170008      5.47955867
  O      1.35056119     -0.82887927      1.18310036
  H     -3.91824529     -1.80182591      2.50082925
  H     -1.49227751      1.45147025      6.68265474
  O     -1.29475106      2.34152032      3.24270299
  H     -3.60726632     -2.92127198      3.49657924
  H     -0.83461525     -3.76873824      0.70471013
  O     -1.35547490      1.12494052      5.79786171
  H      2.66154123     -5.08213227      2.81507424
  H     -2.08685597     -4.21823792      1.51591655
  O     -1.79373281     -3.88305916      0.65847709
  H      1.70982808     -4.13664032      2.04739522
  H     -2.16573495      2.80632053      0.24341608
  O     -3.05845391      2.44984790      0.16664838
  H      0.54032021     -4.15425835      4.03967413
  H     -2.97719550      1.67760319     -0.40881274
          69
 Energy    -248.18825371657442     
  O     -7.51499616     -1.71390265      6.73689858
  H     -6.70456427     -1.20947751      6.87887909
  H     -7.60243758      0.27672661      2.76956357
  O     -9.37540750     -3.09396476      3.04372557
  H     -8.25409422     -1.11235473      6.88319957
  H     -4.42560317     -0.25213854      7.67868072
  O     -7.36219547     -3.75874771      4.96699520
  H     -9.76696077     -2.33523290      3.49581906
  H     -4.56907057     -0.34577119      6.14044138
  O     -5.58720385      0.14713088      0.42225828
  H     -8.73128492     -3.44882589      3.66800585
  H     -1.97974148      3.73426381      0.59715814
  O     -6.57905354      1.70998402      5.65935902
  H     -7.27452134     -4.57420336      5.45301098
  H     -3.12723842      4.17619452      1.53526834
  O     -9.82598295      0.01886223      6.98294516
  H     -7.45198592     -3.04741670      5.62740765
  H     -8.92028950      3.40148232      2.72397226
  O     -3.85197665     -0.54489572      4.57698357
  H     -5.49097510     -0.81129136      0.36648722
  H    -10.16415504      2.51644381      2.90843724
  O     -5.35329481      2.91766441     -0.36016222
  H     -6.52963116      0.31209937      0.55440646
  H    -11.73806932      0.63040091      1.88783051
  O     -9.99075433     -0.65398332      4.28789068
  H     -6.87741964      1.10888630      4.95757341
  H    -10.66717468      0.29545920      2.95615895
  O     -5.72435344     -2.68288210      0.56266715
  H     -6.03236365      1.17857829      6.24902915
  H     -6.18491298     -2.89736747      3.83738607
  O     -3.87939171      1.25838978      2.37216316
  H     -9.65231882      0.93064402      6.68265429
  H     -5.63207597     -2.51660394      2.41844629
  O     -7.35767608     -0.03490888      3.64861893
  H    -10.39293328      0.08465394      7.74608854
  H     -8.75779088     -2.52596016      1.45939302
  O     -5.06503583     -0.23183966      6.97221596
  H     -3.71951627      0.11759200      3.88833342
  H     -8.48160477     -1.20257624      0.69917277
  O     -2.83211423      3.47072415      0.93345096
  H     -4.37273386     -1.24533576      4.15856213
  H     -8.26018904      2.33939682      6.01127681
  O     -9.63782917      3.20162934      3.33587919
  H     -4.48195329      3.18709551     -0.04516313
  H     -9.44354801      2.78837055      5.13645095
  O    -10.85057010      0.83657381      2.16877337
  H     -5.34760696      1.95306688     -0.32440411
  H     -4.33191930      6.09157882      2.74244628
  O     -5.65727268     -2.25383114      3.34636812
  H     -9.04885240     -0.48277101      4.13035357
  H     -4.45537610      4.61825734      3.16893637
  O     -8.34819552     -2.15360180      0.66240843
  H    -10.12854093     -0.49741689      5.22917313
  H     -5.80152843      2.81581604      4.47531777
  O     -9.22038528      2.45825760      6.01732715
  H     -6.69432342     -2.57939791      0.52937861
  H     -4.89031670      2.47925152      3.26802659
  O     -3.87761141      5.25328134      2.71376284
  H     -5.49601712     -3.37925347     -0.04627640
  H     -7.96876269      1.68625335      1.21867028
  O     -5.41429698      3.18642955      3.67207178
  H     -4.45943451      0.82873073      1.72811229
  H     -9.22399959      0.78714513      1.34220279
  O     -8.28618399      0.77536860      1.10654802
  H     -3.36772303      1.91637058      1.88465974
  H     -6.70834346      3.28960582      2.37389607
  O     -7.28836987      3.27112722      1.59997129
  H     -6.76038372     -0.78578378      3.53553181
  H     -6.69804916      3.31645208      0.83347931
          69
 Energy    -248.18816472324778     
  O     -6.58233364      1.61786685      0.65864476
  H     -5.80023412      2.18208600      0.74756023
  H     -0.67582908      3.91515384      1.74014905
  O     -6.92194630      1.03117433      3.42013393
  H     -6.88122582      1.45188811      1.56058918
  H     -4.04602828      3.61503992      1.69604235
  O     -1.25946939     -2.26455267      1.58160194
  H     -7.63257437      1.08206444      4.05338672
  H     -3.77086896      2.16526060      1.22555735
  O     -3.01013493     -1.25021771     -0.37911015
  H     -6.14194670      1.44060725      3.83816772
  H      0.20676822      0.58438533      0.07158913
  O     -3.74640350     -0.80501593     -4.04050814
  H     -1.80194159     -2.26086681      2.38332649
  H     -0.05751002      2.04858443     -0.36286517
  O     -5.79812978     -0.95654288     -0.17651653
  H     -1.85711084     -2.09243973      0.84251511
  H      0.82555517      4.35566033     -0.19073195
  O     -2.30035702      0.69137298     -2.25293662
  H     -3.97626675     -1.24595927     -0.34971595
  H     -0.62760434      4.24298422     -0.69858532
  O     -3.86137603      2.96026135     -1.75417763
  H     -2.74852314     -0.65489196     -1.09394972
  H     -6.86015429     -1.22624185     -3.55786293
  O      0.76850063     -0.51495664      1.53193481
  H     -3.16986898     -1.39127489     -4.52403340
  H     -5.37476243     -0.83724097     -3.37568310
  O     -2.93495938     -2.03675480      3.82591569
  H     -3.16487252     -0.25581842     -3.48958810
  H     -1.97640990      0.45893613      6.13243433
  O     -0.87204805      1.07142404      3.13240213
  H     -6.03351785     -1.04106046     -1.10862082
  H     -1.77644818      0.68391258      4.61681985
  O     -0.99183418      3.81805264      2.64665617
  H     -6.05111194     -0.05812377      0.08238769
  H     -5.93380711     -0.49209167      2.94644970
  O     -4.18958801      3.00198971      0.96749106
  H     -2.84062708      1.48004139     -2.10990445
  H     -5.52482818     -1.27362935      1.67176881
  O     -0.15493203      1.12901440     -0.63667434
  H     -1.46915031      0.82587372     -1.77238675
  H     -2.94156100      0.02097215      0.94586122
  O     -0.01024757      3.92865657     -0.01619261
  H     -4.74043209      2.69340445     -2.05701362
  H     -3.84490199      0.10172692      2.18534693
  O     -6.25083510     -0.80987601     -2.95372054
  H     -3.92500880      3.05598589     -0.79189924
  H     -3.60806423      5.29755392      3.61356459
  O     -2.43305893      0.44981873      5.29454703
  H      1.60578547     -0.96850421      1.56216117
  H     -2.58850522      4.24551431      3.11206842
  O     -5.28547106     -1.11469064      2.59442210
  H      0.07577981     -1.20292867      1.54448902
  H     -6.67629840      1.91159220     -1.26006032
  O     -3.16564117      0.58420628      1.69843202
  H     -2.77530715     -1.29567148      4.42000384
  H     -6.41435192      1.06584705     -2.52040909
  O     -3.53030248      4.39589144      3.31481335
  H     -3.82086819     -1.88958653      3.46693518
  H     -3.94225353      1.51086621      4.82677248
  O     -6.39719228      1.96927861     -2.18302811
  H     -0.17299292      0.56313305      2.70398629
  H     -4.27470048      2.86796549      4.15670019
  O     -4.66768404      2.05544789      4.49816909
  H     -1.67454005      0.91321542      2.60839528
  H     -1.87655296      5.32737869     -2.68368079
  O     -1.76414965      4.72190354     -1.95562831
  H     -0.84205047      2.89246862      2.88296869
  H     -2.53710895      4.13472536     -1.97632423
          69
 Energy    -248.18813459825270     
  O     17.89061126      8.78802073    -11.42647364
  H     17.42207462      7.94490389    -11.46149093
  H     18.29514980      9.59790121     -9.84922244
  O     13.98638532     10.23530536    -10.99220200
  H     17.30153990      9.46076637    -11.79452731
  H     20.43813169      9.96258927    -12.83655505
  O     19.16774828      3.31501918    -10.98811200
  H     14.50292727      9.94183621    -10.22033274
  H     19.35250340      8.95051693    -12.39109280
  O     21.21520377      7.00834417    -11.40881442
  H     13.21262866     10.67843455    -10.65543769
  H     20.43666959      4.08582194    -12.23309365
  O     15.61832051      9.43958740     -8.98088037
  H     19.01622624      2.40441503    -10.75282128
  H     21.13103246      5.45168286    -12.40045188
  O     19.01473489      5.19541347    -14.79464379
  H     18.44706085      3.57639984    -11.59176544
  H     17.75335073      4.58018356    -13.48314701
  O     22.62670114      8.26373816     -9.31041725
  H     21.80279185      7.38663477    -10.74399407
  H     16.90200066      5.02629429    -12.26890800
  O     16.97484144      6.94098192     -8.67778458
  H     20.93783478      7.72806854    -11.99250423
  H     15.43539712     10.73834300    -12.02875030
  O     20.66068328      7.06263746     -7.63179376
  H     16.42980450      9.95572353     -8.93109228
  H     16.15287870     10.36048949    -13.35491688
  O     18.53877135      8.53322114     -6.87741935
  H     15.91335252      8.52233476     -8.91540963
  H     15.64346718      9.26980258    -15.60270753
  O     18.30480854     12.21255388    -11.18944377
  H     19.21156173      4.68403670    -15.57547983
  H     16.79427256      8.67295410    -14.76191083
  O     18.43091671     10.21350691     -9.10981022
  H     19.73171493      5.01823929    -14.16003938
  H     21.20351222     10.97914026    -10.56279411
  O     20.14363136      9.05142373    -12.94649615
  H     23.54711057      8.45518369     -9.15309561
  H     20.31080431     10.48117888     -9.41233345
  O     20.87242842      4.65301393    -12.88080524
  H     22.17482685      9.11855737     -9.43285195
  H     14.79769076      8.27304121    -13.40824639
  O     17.30935639      4.25595081    -12.69088974
  H     17.74051179      6.51271792     -9.09215257
  H     14.06744348      8.68787862    -12.11216792
  O     16.26856103     10.81976800    -12.51202816
  H     17.34563106      7.40727230     -7.91887010
  H     19.06198694      8.34996152    -14.31595048
  O     15.93366890      9.12669654    -14.70588026
  H     21.41379234      7.45130181     -8.09241449
  H     18.54986406      6.99606913    -14.85117234
  O     21.22771678     10.53563745     -9.70624137
  H     20.23276139      6.47914078     -8.27447829
  H     21.12843114     12.49489911    -12.67542740
  O     14.32796081      7.92336302    -12.64016310
  H     18.50565635      8.67006954     -5.93487692
  H     19.87300356     11.98734979    -11.92600364
  O     18.35199719      7.94040740    -14.82611360
  H     19.34596057      8.01921596     -7.06352496
  H     15.49968874      6.91447813    -11.77440406
  O     20.75471642     11.72827399    -12.24983142
  H     17.56788320     11.86837647    -11.71346494
  H     16.22995874      6.53253775    -10.43155057
  O     16.28079160      6.48489628    -11.39254848
  H     18.29278678     11.72188033    -10.35884788
  H     19.24855154      4.90041435    -10.04675438
  O     19.30537462      5.81201768     -9.73441779
  H     18.49365096      9.69098689     -8.29853868
  H     19.87701087      6.27969973    -10.35914671
          69
 Energy    -248.18803858586705     
  O     15.71443955     11.22977228    -14.69578111
  H     16.40378441     11.06658561    -15.35212875
  H     19.55163899     12.15703619     -8.20958124
  O     17.44760029     14.95876036    -16.22875930
  H     15.45973637     12.15308437    -14.81574764
  H     21.91451218     17.20109167    -12.96031401
  O     20.04446327      9.47651770    -15.15525778
  H     18.11725014     15.43666667    -15.72435395
  H     21.81002372     18.53906127    -13.73268458
  O     20.52046696     14.38210196    -10.77598182
  H     17.93094537     14.43037698    -16.87522167
  H     21.74182209     13.23111346    -11.58071962
  O     20.73649664     10.65743158    -10.71821785
  H     20.68317275     10.18443926    -14.99307125
  H     23.16718189     13.15633875    -12.17061088
  O     17.09465586     12.83923241    -10.68082108
  H     19.77614607      9.17975426    -14.27707919
  H     16.91556133     11.33783118    -11.71349951
  O     18.17813217     11.24815890    -16.14174807
  H     20.17273392     13.79929512    -10.09013657
  H     16.45460489     10.78834449    -13.11890887
  O     21.13735519     14.01669692    -16.10083049
  H     19.76836486     14.64035651    -11.32618235
  H     18.71602423     12.43303278    -17.32935013
  O     22.43310284     16.29706455    -11.56303926
  H     20.32505477     10.06128042    -11.35451760
  H     19.00203797     12.96030286    -18.75625179
  O     21.31459687     11.87916551    -14.38173714
  H     21.42374495     11.15162711    -11.18264261
  H     22.79086752     16.32238111    -14.74595776
  O     15.64272100     14.94047593    -12.48468045
  H     17.43271109     13.57588642    -11.20000218
  H     22.62504545     15.00821240    -15.53463512
  O     19.39728481     12.36937533     -9.12592273
  H     17.79322926     12.64483662    -10.04035254
  H     20.24722302     16.59277834    -14.41784530
  O     21.66413033     17.60058320    -13.81309883
  H     18.76273793     10.49682200    -15.96236523
  H     20.15742016     15.22107878    -15.13271466
  O     22.39775062     12.61900357    -11.94431433
  H     18.26126840     11.81804437    -15.36135790
  H     25.27957943     14.51129958    -12.79104761
  O     17.05810654     10.64505025    -12.37335135
  H     21.28185144     13.22744796    -15.55677465
  H     24.00208172     14.81393990    -13.60951391
  O     19.03230915     13.20260359    -17.83450679
  H     20.53221325     13.76349910    -16.80701205
  H     18.38469574      9.48152796    -12.39326162
  O     23.26154801     15.52825709    -15.02664579
  H     21.78029270     15.71448224    -11.15308344
  H     18.97879401      8.07779144    -12.14161337
  O     19.63306689     15.89265750    -14.67247731
  H     23.16536149     15.72842104    -11.83171240
  H     18.20424416     11.84510124    -13.20398444
  O     24.32735646     14.49103901    -12.74996679
  H     21.82934501     12.07090261    -13.58808919
  H     18.57556037     13.34744224    -13.33117687
  O     19.20087707      8.95490545    -12.44593593
  H     20.39063395     12.04224460    -14.13189674
  H     15.98362419     14.35790088    -15.51643818
  O     18.72139333     12.47821184    -13.71806176
  H     15.39581717     14.60831693    -13.36020731
  H     14.44298572     14.29638544    -15.63069988
  O     15.17757425     14.01464755    -15.09073931
  H     15.34393150     14.28623298    -11.85150829
  H     17.40829661     15.14090520    -12.49212680
  O     18.35755676     14.95440160    -12.44479248
  H     19.85981376     11.69375468     -9.65558094
  H     18.78671256     15.37603829    -13.20464868
          69
 Energy    -248.18803030675059     
  O     19.24776434      9.44205618    -14.78048514
  H     19.74302935      8.64089233    -14.55131079
  H     20.45425732      6.21911643    -14.54691833
  O     21.68811144      7.10582015    -11.57255259
  H     18.73963438      9.67011879    -13.99413267
  H     18.38397957      3.19365006    -13.10504669
  O     15.84798391      9.13829935    -10.22809254
  H     21.05801850      7.76957981    -11.23991481
  H     19.70188739      3.77149121    -12.52915342
  O     13.40193276     10.43631877    -13.14245185
  H     22.55750535      7.39783041    -11.31169848
  H     16.13825711      9.08915977    -15.40110690
  O     17.48300987      8.55651978    -16.63639468
  H     15.30817381      9.94098791    -10.28977002
  H     16.23599252      9.44419994    -13.89973445
  O     11.92141167      8.00548497    -12.82353334
  H     15.29752694      8.39282206    -10.50292155
  H     18.68367588      6.68188317    -13.25262497
  O     17.99468789      5.84148880    -10.16875338
  H     12.80485791      9.68409349    -13.04113824
  H     17.22315925      6.13676964    -13.35690723
  O     14.22372652      7.05501165    -11.18592341
  H     14.07906365     10.16744472    -13.77448441
  H     14.77744515      6.25217369    -14.18767108
  O     20.35006730      4.60413332    -11.06655449
  H     17.59196396      8.99639500    -17.47619790
  H     14.68053052      7.80369711    -14.25741058
  O     15.61618816      4.54190577    -10.74254577
  H     18.16958831      8.91049071    -16.04322417
  H     17.16500333      8.63694425     -9.18081872
  O     16.51558375      2.91180631    -12.72933885
  H     12.61852220      7.55687103    -13.33285611
  H     17.82844153      8.46216339     -7.79291322
  O     20.33718226      7.01410963    -14.01087467
  H     11.09082408      7.69736543    -13.17735115
  H     19.88260117      4.17205151    -14.74941504
  O     19.28661395      3.43389648    -13.33716616
  H     18.00829670      6.61301053     -9.59194551
  H     20.82796317      4.11080881    -15.97542753
  O     15.61057273      9.31572145    -14.62517489
  H     17.94640666      6.16704376    -11.08155629
  H     13.95084270     11.06853944    -11.59329859
  O     17.81527078      6.68459561    -12.82775746
  H     14.42425467      6.98616534    -12.13180049
  H     14.07888295     12.22607047    -10.58585560
  O     14.21615532      7.00811160    -13.96385996
  H     13.30454732      7.33515851    -11.17219149
  H     19.17360365      9.23226274    -11.39176119
  O     17.94887262      8.28664349     -8.72225353
  H     20.91130256      5.37894226    -11.18325453
  H     19.31039854      8.73673655     -9.95113207
  O     20.23071595      4.68451126    -15.50426713
  H     19.56514634      4.92675286    -10.60306554
  H     16.62104034      5.17741791    -15.19243630
  O     14.30878327     11.31146078    -10.72191352
  H     16.44386514      4.90152346    -10.39102884
  H     16.21336433      4.24861501    -13.97670587
  O     19.81972193      8.91624895    -10.75189960
  H     15.02254066      5.29705244    -10.81098262
  H     17.70917106      6.63000932    -16.56619772
  O     16.07834275      5.10794218    -14.39189257
  H     16.16271640      3.44354928    -11.99354794
  H     18.62059498      5.40299574    -16.25831345
  O     17.71788961      5.66994526    -16.47042925
  H     16.16618826      2.03116563    -12.62245522
  H     16.92351228      9.45158847    -11.71398980
  O     17.49307259      9.35804407    -12.48833334
  H     20.92640519      6.96810753    -13.24700507
  H     17.58678034      8.40096393    -12.63663247
          69
 Energy    -248.18793027998345     
  O     16.71303331     10.29998478    -10.86912266
  H     15.91630590     10.06813036    -11.36304704
  H     18.07622839      4.63759753    -13.70203882
  O     15.50853743      5.17364079     -6.76929131
  H     17.45615211      9.88092251    -11.32672642
  H     15.97321843      5.65019421     -8.52208622
  O     13.07250946      6.68247017     -7.11675603
  H     15.65002233      4.37665779     -6.26569876
  H     16.14685511      7.08061420     -9.08076266
  O     14.46558926      9.34351634    -12.14603031
  H     15.88092479      5.90532758     -6.24462807
  H     18.03713127      7.19459382    -14.18791361
  O     18.92383830      9.07357661    -11.98977154
  H     13.41517685      7.52786467     -6.79145691
  H     18.37037055      8.59942142    -13.67669004
  O     20.63386112     10.47200138    -10.26063052
  H     13.79191984      6.05027876     -7.00980373
  H     16.22435998     11.64089186     -7.24556006
  O     18.50127213      6.60398569    -10.78126765
  H     14.68165068      9.23408749    -13.08022005
  H     17.16187477     12.27389667     -6.19966188
  O     12.04898027      7.60740168     -9.43086188
  H     14.37376288      8.44863661    -11.78705309
  H     15.13984572      8.93931314    -15.62711970
  O     14.41510958     11.67784365     -7.71912805
  H     18.80276297      8.22155688    -11.54334745
  H     16.28412135      8.53330508    -14.66906056
  O     13.25335717     10.21985819     -9.72415410
  H     19.62534809      9.54728801    -11.52711046
  H     16.37985154      9.32567153     -9.36794250
  O     14.39289378      9.06231431     -6.55408845
  H     21.42023398     11.00497875    -10.33497911
  H     16.97458151      8.80998506     -8.01339794
  O     17.86566752      5.47620228    -13.29997993
  H     19.92283695     11.05594937     -9.93949082
  H     17.79054916     11.49895253     -9.99718890
  O     16.14969076      6.14198609     -9.33243400
  H     17.72002088      6.37873170    -10.25734227
  H     18.11199276     11.95184870     -8.56586676
  O     17.96229551      8.12894230    -14.41690519
  H     18.39470141      6.13801828    -11.62119270
  H     17.16309600      7.85115634     -5.74867960
  O     17.14800429     11.68698160     -6.95287782
  H     12.36775573      7.22155892     -8.59536815
  H     15.65031002      7.99126075     -5.55183815
  O     15.31937118      8.65155440    -14.73623894
  H     11.11143411      7.43834657     -9.47207135
  H     14.80756852      6.44996573    -10.51709454
  O     16.21803838      8.74701726     -8.61228343
  H     13.88383994     12.46859511     -7.66782286
  H     13.34021268      6.95668200    -10.59179067
  O     18.48060816     11.90882379     -9.45495254
  H     14.05308627     11.16314412     -8.46277897
  H     20.25300383      8.91170705     -9.24918740
  O     16.38372351      7.37483132     -5.43053732
  H     12.79223747      9.39485004     -9.53027297
  H     19.53906844      7.54499554     -9.37841836
  O     14.11820685      6.75221704    -11.12509185
  H     13.59681010     10.10900728    -10.61917867
  H     18.08809583      9.95646825     -6.76579801
  O     19.88467661      8.17905807     -8.73973178
  H     14.18664907      9.99717030     -6.63182298
  H     18.92982951      8.76073156     -7.36760515
  O     18.25069289      9.00782052     -6.71941547
  H     14.96663259      8.88578606     -7.31864620
  H     15.13307004      6.83218301    -14.07285353
  O     15.21411228      6.00592847    -13.58174422
  H     16.90108064      5.58915174    -13.37834879
  H     14.73832105      6.14713622    -12.75166979
          69
 Energy    -248.18792896355177     
  O     15.61014535      9.00838551    -15.69563513
  H     16.18261450      8.87251934    -14.92874213
  H     16.46781982      9.56484833    -17.09760202
  O     14.77085330     12.65436625    -15.42716264
  H     14.80977085      9.42576297    -15.35483100
  H     15.93290495     13.68751347    -11.86347764
  O     19.24983379     10.32777260    -10.81999765
  H     14.11760853     11.98571357    -15.19354430
  H     14.63480399     14.22531772    -12.47928060
  O     20.27053156     12.66121192    -12.03039404
  H     15.58778219     12.36706319    -14.99073457
  H     19.22201239     16.51357599    -13.46374721
  O     14.43930776     10.88228895    -12.03032344
  H     19.61773510     11.19623759    -11.02583909
  H     19.52339327     17.75585716    -12.60748029
  O     17.27935953      9.04421504    -13.43410461
  H     19.61663158      9.73805105    -11.49067117
  H     20.12689225     11.17548335    -15.11642484
  O     15.83395837     12.52015779    -18.02838561
  H     20.83100961     13.44550937    -12.08218015
  H     21.35870143     11.98494900    -14.67212388
  O     19.34901244     14.13786230    -16.48855451
  H     20.41058414     12.17229851    -12.85286126
  H     17.54607681      9.90805264    -10.68254301
  O     21.76674701     14.99640313    -12.54626199
  H     14.56769999     11.83524621    -11.91445397
  H     16.49345375      9.04517841     -9.95377486
  O     18.77889057     11.41443294    -16.26905352
  H     15.13566638     10.45306045    -11.52302636
  H     16.68992344     14.02338530    -18.14002508
  O     13.41127736     10.37559013    -14.47348284
  H     16.97652089      9.07319340    -12.51703801
  H     17.00005954     15.32623765    -18.91473636
  O     16.99057019      9.91819210    -17.84046333
  H     18.23537518      8.91232633    -13.40913622
  H     17.20767845     15.52302323    -14.71028699
  O     14.96746290     13.60635701    -11.83123420
  H     15.35620575     12.54387504    -17.18773924
  H     18.62271939     14.99331589    -15.04583030
  O     19.90778213     16.94395343    -12.92701171
  H     16.21275583     11.63593713    -18.08817938
  H     21.86055057     14.21575086    -14.31923845
  O     20.81605507     11.21798901    -14.43707597
  H     18.70645308     14.49665734    -17.11442751
  H     21.09313589     13.98147731    -15.64501632
  O     16.64178553      9.55362543    -10.74711547
  H     19.19918178     13.18140025    -16.48416620
  H     20.45446610      9.69390416    -13.62282480
  O     17.13387338     14.88920715    -18.07807246
  H     22.55882281     15.35894211    -12.15762497
  H     20.73998344      8.21060805    -13.29743804
  O     18.11165346     15.45862132    -14.36937865
  H     21.13858250     15.73271700    -12.64220892
  H     17.06345365     10.85709015    -13.84623330
  O     21.83336156     13.66530081    -15.11060070
  H     18.30926564     10.87079084    -16.91067003
  H     17.28199132     12.36328753    -13.46594211
  O     20.10807538      8.91168706    -13.16005701
  H     18.14872296     11.58657408    -15.55002045
  H     15.23827519     14.46492741    -15.52230144
  O     17.07861903     11.75879270    -14.19018815
  H     13.75922949     10.51790545    -13.57355893
  H     16.08434400     15.31168208    -16.48794623
  O     15.68356907     15.31864784    -15.60905507
  H     12.50702844     10.09104391    -14.37476512
  H     17.84711690     14.36080150    -12.97116832
  O     17.70740376     13.68388230    -12.29263898
  H     17.02918531      9.23078996    -18.49950868
  H     18.58125017     13.34633169    -12.05882316
          69
 Energy    -248.18791661465880     
  O     12.42965831     11.50559222    -13.68150463
  H     13.16670205     12.12460441    -13.68267931
  H     19.09111076      8.42502739    -15.56801295
  O     15.98125985      6.96641145    -13.94142272
  H     12.48143381     11.02474878    -14.52097718
  H     14.37901641      9.63722951    -14.78622429
  O     17.86568055      9.95483299    -11.19612909
  H     16.83892825      7.09644883    -13.51590757
  H     15.47137298      8.68128652    -14.20451467
  O     16.79366444     11.69498146    -15.04270194
  H     15.35861280      6.71185700    -13.24656845
  H     11.98595800     10.34301548    -12.44139084
  O     12.43357258      7.10714490    -16.04555835
  H     17.62882168      9.55099054    -10.35350950
  H     10.86537772      9.89185370    -11.48034671
  O     14.23585832      6.51055405    -11.84455431
  H     17.06352460     10.41613009    -11.48427474
  H     17.33878684      6.98460999     -9.76126375
  O     15.42279061     10.98633588    -11.94678930
  H     17.62135943     11.57025938    -14.55341247
  H     18.01429029      6.55017015    -11.07675618
  O     17.23889359     11.02911762    -17.66981859
  H     16.25515010     10.90719065    -14.86765940
  H     12.76736535      6.84490350    -12.86133317
  O     15.48092322      4.59318515    -10.35286953
  H     11.72839779      6.60699605    -16.44759929
  H     11.84426739      8.06995776    -12.91466804
  O     17.88335061      8.38398838    -16.81030543
  H     12.27659218      7.09026926    -15.08361773
  H     19.36858796     10.19562495    -14.05156525
  O     15.25635124      7.17986508    -16.60402729
  H     14.27426831      7.32082485    -11.32187616
  H     18.81602451     10.73361221    -12.71657344
  O     19.75516254      8.50577601    -14.86008280
  H     14.58082288      5.78618881    -11.30277227
  H     18.18575497      8.41720296    -12.15792012
  O     15.18949206      9.60201373    -14.26402344
  H     15.23385948     11.88199895    -12.24236550
  H     18.93084532      7.79709341    -13.36547250
  O     11.72752700      9.64923481    -11.80904061
  H     15.28979549     10.42949909    -12.73312230
  H     15.63907081      8.67757306     -9.45765496
  O     17.67748748      6.21543378    -10.23564543
  H     17.70016509     11.69963929    -18.16648486
  H     16.41498861      8.70627860     -8.12557735
  O     12.06564392      7.25813577    -13.38398627
  H     17.10904906     11.37913084    -16.77250656
  H     14.97012355      8.83747597    -17.55357814
  O     19.02568534     10.99029460    -13.62254563
  H     16.32109718      5.07892499    -10.28606561
  H     15.54500012     10.21318171    -17.95196656
  O     18.34613821      7.58595632    -12.62687244
  H     15.69998206      3.66974876    -10.26580806
  H     13.24066354      9.14833778    -10.76986687
  O     16.52101307      8.57761910     -9.06551558
  H     17.70895451      9.25073091    -17.19785363
  H     14.62983043      9.75887550    -10.92192777
  O     14.72582202      9.70867475    -17.89440773
  H     17.05189671      7.89751027    -16.84258229
  H     15.55524714     12.77207424    -14.20767229
  O     14.15857185      9.02626592    -10.49614646
  H     14.30001375      7.05727926    -16.55113383
  H     14.94094943     14.11195685    -13.74978715
  O     14.86286237     13.16627742    -13.65221723
  H     15.57415058      6.97084743    -15.71245541
  H     13.46966407     10.00571238    -16.66813572
  O     12.90220384      9.88660497    -15.89068647
  H     20.58910341      8.23386688    -15.23386059
  H     12.57312062      8.98113088    -15.94770799
          69
 Energy    -248.18780963978139     
  O     17.61328511      7.71595184    -13.37111792
  H     18.22185306      8.19644020    -13.94518700
  H     17.12263694      7.16723870     -8.25555258
  O     11.94411868     11.24618865    -12.11964559
  H     17.93277218      7.84250019    -12.46440304
  H     13.32525035     10.27909870    -11.28551287
  O     11.73430025      9.37153308    -14.00998828
  H     11.82766623     10.57903363    -12.82342006
  H     14.55662874      9.61521928    -11.94662188
  O     15.59844810      5.83294285    -12.94910886
  H     11.08624043     11.38993226    -11.72997180
  H     17.80987704      5.51904548     -9.61928927
  O     18.45571207      8.26393103    -10.81229268
  H     11.59896580      8.46105654    -13.71099469
  H     19.08451504      5.45595378     -8.74119336
  O     19.65676155     10.44658561    -12.07859296
  H     12.41753202      9.30570768    -14.68909713
  H     15.94339106     11.13589202    -13.42235398
  O     16.48593722      9.91951908     -9.74324643
  H     16.33475797      6.43034303    -13.14212612
  H     15.32042497     12.55240711    -13.39066562
  O     11.82412087      6.68699059    -13.28469768
  H     14.97956352      6.29591824    -12.36259026
  H     16.24221225      4.94376353    -11.34933495
  O     15.71218527      9.84950632    -17.38535689
  H     17.74610573      8.80030070    -10.42967447
  H     15.72519667      4.94605496     -9.89401859
  O     13.94590790      5.93833907    -15.16739682
  H     18.58480919      7.50261597    -10.23446435
  H     16.20134842      8.84299353    -13.43680849
  O     13.93303556      8.74219005    -15.63053612
  H     19.42456061      9.65807363    -11.56816822
  H     14.88795916      9.20863319    -14.19905806
  O     16.31266363      7.64161300     -8.02912491
  H     19.07629521     11.14154051    -11.74685250
  H     19.55428189      9.91278640    -13.73686284
  O     14.08630762      9.71747949    -11.10197989
  H     16.87578649     10.74572434    -10.05460101
  H     20.26250915      9.38729750    -15.00818157
  O     18.45244210      6.05813806     -9.12322044
  H     15.59978247      9.87338132    -10.13123546
  H     18.14707825     10.67693652    -15.42468477
  O     16.16339586     12.07867672    -13.36657668
  H     12.39138894      6.34328001    -13.98402997
  H     17.06671258     11.69878793    -15.01686492
  O     16.49070754      4.73016700    -10.44197369
  H     12.38287392      6.71402314    -12.49577932
  H     13.85352646      6.56636639    -10.35206519
  O     15.43782558      9.43274370    -13.43588033
  H     15.80825143     10.17186927    -18.27731071
  H     13.78542823      7.92681545    -11.10439140
  O     19.40361068      9.51748052    -14.61452654
  H     16.33562064     10.36503701    -16.84640733
  H     17.71244565     13.08481259    -10.76664860
  O     17.44763558     11.24165320    -15.77638502
  H     13.98737725      5.14529927    -15.69606089
  H     17.09876221     12.20847200    -11.88294832
  O     13.72725823      6.96883895    -11.21992135
  H     14.56555377      5.81241584    -14.43000825
  H     13.01869938     12.51942892    -12.91985092
  O     17.61586608     12.18197302    -11.05902703
  H     14.51394626      9.07471537    -16.33081213
  H     13.11418391     13.45545432    -14.13078010
  O     13.61031298     13.13216647    -13.38142782
  H     13.96012673      7.77733918    -15.63025871
  H     15.04686474      6.50950466     -8.44166720
  O     14.43049055      5.83172599     -8.77260715
  H     16.36559491      8.49897922     -8.47002497
  H     13.95129787      5.49929109     -8.01877516
          69
 Ord_Energy   -248.187653    
 O   -1.33847845       6.14630079       7.78574657    
 H   -2.05768156       6.42789888       8.38213825    
 H  -0.521236479       6.28245687       8.25587082    
 O   -3.47984076       6.84951019       9.23679256    
 H   -4.10608625       7.16977644       8.57421398    
 H   -3.90594602       6.10150623       9.67912388    
 O   -4.37933111       1.45515800       3.90912390    
 H   -4.80707932       1.32254863       4.76361322    
 H   -3.53876185       1.89718974       4.08180714    
 O   -5.85033751       9.73270702       5.49166346    
 H   -6.08624220       10.6239042       5.73328543    
 H   -4.96810532       9.77317142       5.07727909    
 O   -3.45714617       9.53911591       4.24826384    
 H   -3.03336906       8.76351166       4.63970470    
 H   -3.64752460       9.31978416       3.32731652    
 O   -6.63735914       4.83965921      0.708042860    
 H   -6.48665190       4.11116266       1.33660400    
 H   -6.87101841       4.43707275     -0.124802060    
 O   -9.20981407       4.95959997       5.00674486    
 H   -8.96159363       5.34462070       4.14777803    
 H   -10.1380339       5.14265013       5.12630987    
 O   -4.43903446       8.86312103       1.65116072    
 H   -4.26817560       7.94861126       1.36106670    
 H   -4.39433193       9.41165066      0.872953773    
 O   -6.50218344       7.99033213       3.35681701    
 H   -5.87914944       8.32806873       2.69978857    
 H   -6.43648863       8.57764435       4.11936045    
 O   -2.53740692       3.71332932       6.88958454    
 H   -2.12781668       4.50071955       7.26594782    
 H   -3.44100642       3.66842413       7.22527122    
 O   -6.06472731       1.22364485       6.25891495    
 H   -6.33851957      0.346473485       6.51468849    
 H   -6.80740213       1.61315191       5.76278162    
 O   -6.17707253       3.13340235       2.74118996    
 H   -5.99509287       3.93472481       3.25652218    
 H   -5.51695871       2.47743344       3.00941229    
 O   -8.00039482       2.37552786       4.73687840    
 H   -8.50431156       3.18127608       4.89656019    
 H   -7.48721695       2.54924273       3.93551683    
 O   -5.24104738       3.45985699       7.72495127    
 H   -5.82617855       4.13210773       7.34823704    
 H   -5.48437214       2.62401700       7.30750036    
 O   -1.98718381       2.91918159       4.40140820    
 H   -2.15751266       3.17712951       5.32705975    
 H   -1.13182294       2.49870777       4.38221836    
 O   -4.72156572       4.56219339       10.2181997    
 H   -4.92635202       4.08404493       9.39932919    
 H   -5.22709513       4.13614988       10.9054070    
 O   -5.49271822       5.44685841       4.09286880    
 H   -4.54950905       5.40747070       3.88896585    
 H   -5.82649946       6.29924536       3.78400731    
 O   -6.80337572       5.37104750       6.44923210    
 H   -7.71562624       5.27444315       6.15581560    
 H   -6.27142572       5.33022308       5.63628149    
 O   -8.42487621       6.09872770       2.64082122    
 H   -7.89584064       6.87775278       2.86304331    
 H   -7.94705486       5.66820860       1.92304456    
 O   -2.71955919       7.14070797       5.55356884    
 H   -2.09020424       6.86638451       6.23202562    
 H   -3.57548332       7.19627857       6.00230026    
 O   -2.83400679       5.39493656       3.39042735    
 H   -2.48339653       4.53445578       3.65414929    
 H   -2.66582799       6.01444197       4.11594009    
 O   -5.11137772       7.49781895       7.02954006    
 H   -5.45042849       8.30509377       6.62457085    
 H   -5.78542852       6.81354523       6.91999531    
 O   -4.12432194       6.27291536       1.03182101    
 H   -3.61581278       5.87176085       1.75002217    
 H   -4.93185329       5.75802040      0.919954717    
          69
 Energy    -248.18761403516362     
  O     14.53357309      9.05438472    -10.37020389
  H     14.32487327      9.77936138    -10.97489898
  H     16.38451714      4.22945935    -11.78031034
  O     13.34252879     11.30193948    -15.87507628
  H     15.23336855      9.36205838     -9.77757421
  H     13.40294611      7.56725613    -10.27728802
  O     16.91024098     10.97730813    -13.05656710
  H     13.05106800     10.51324330    -15.39944499
  H     12.40809325      6.87342365    -11.22846977
  O     12.92359175      4.54279568    -13.86918863
  H     13.31556012     12.02071109    -15.23158884
  H     18.83885459      7.43318277    -13.68658439
  O     16.28085228     13.15196293    -14.72807268
  H     17.47874699     10.80010632    -12.29931492
  H     18.37193666      8.04050770    -15.02702253
  O     15.89944208      7.35880555    -12.10574931
  H     15.99117347     10.86420223    -12.77749360
  H     14.64210596     13.35287232    -14.12851484
  O     14.15935542     10.85267297    -12.43853893
  H     13.66555792      4.75368392    -14.46637129
  H     13.41278663     14.16186675    -13.64687935
  O     18.61850848      7.68829117    -11.83826875
  H     12.59681031      3.68546051    -14.12832713
  H     13.72566322      8.64837885    -14.46210530
  O     18.66089093     10.22997949    -10.95713422
  H     16.64938960     12.50760272    -14.10758722
  H     12.35301635      8.39432985    -13.79533505
  O     17.74311180      4.70662806    -14.75152997
  H     16.23944591     12.69527880    -15.57749723
  H     15.76275020     11.60570430    -17.91589233
  O     15.03562147      5.21821239    -15.35702274
  H     15.54855781      6.47064534    -11.95944906
  H     14.92346120     11.32958976    -16.64742299
  O     17.31125047      4.06065373    -11.99142811
  H     15.43682488      7.95121822    -11.49767966
  H     12.02237199      6.04467266    -13.34709287
  O     12.93716404      6.73425771    -10.43447013
  H     13.93895668     11.73790712    -12.75245894
  H     10.64884960      6.67310161    -13.03151809
  O     18.73397538      7.24050162    -14.62779547
  H     13.68883810     10.23290363    -13.01535441
  H     14.06552945      5.44241255    -11.02558367
  O     13.72456684     13.27624758    -13.81011590
  H     18.97270354      6.90885873    -11.38594436
  H     14.09282532      4.66040942    -12.35512793
  O     12.90368174      9.08327385    -14.18220657
  H     17.66317883      7.55028371    -11.93149678
  H     18.61265970      4.81736893    -11.08167831
  O     15.83307807     11.42205643    -16.98291025
  H     19.54561784     10.58575416    -10.94327769
  H     19.90344043      4.69882320    -10.25252571
  O     11.58764363      6.84825736    -13.01956591
  H     18.72857149      9.30752258    -11.26492234
  H     15.53240644      7.69560668    -13.81454384
  O     14.63779224      4.91027768    -11.60017568
  H     18.09825890      5.61309189    -14.74215211
  H     15.97634254      8.45308909    -15.09400623
  O     19.32403251      5.33376149    -10.66318085
  H     18.36848903      4.17833171    -15.24135411
  H     17.44063072     10.05358488     -9.56994954
  O     15.27839208      7.89652077    -14.72855925
  H     15.94061144      4.91849456    -15.20802466
  H     17.16167494      9.45062852     -8.18593600
  O     16.73873498      9.88293144     -8.92516931
  H     15.07600525      6.18292094    -15.28895522
  H     16.93015342     10.18394775    -16.09144387
  O     17.34048700      9.60324945    -15.43850431
  H     17.41905850      4.23938256    -12.93407478
  H     17.27274395     10.06523457    -14.58909403
          69
 Energy    -248.18747916560332     
  O     -3.88686400      3.05465829     -3.29224650
  H     -4.31791269      3.57587414     -3.96431936
  H     -5.51330808      1.74497695      1.44748867
  O     -0.95499581      3.02795617     -2.88862218
  H     -4.21917385      3.38117729     -2.43684189
  H      0.21494239      2.55751040      2.08329543
  O     -4.86323039      3.83465900     -0.83772209
  H     -1.06486461      3.60047760     -2.11420040
  H      0.71427102      2.02341719      3.44168073
  O     -3.13557545     -1.38946908      2.87683300
  H     -1.85090334      2.92591751     -3.22326682
  H      0.98304653      2.73730634     -0.15767089
  O     -0.53420981     -0.44028276     -0.54268163
  H     -5.41567881      3.22736471     -0.33048001
  H      1.85199848      3.36585813      0.96525642
  O     -4.10100785     -2.10882906      0.48669322
  H     -4.40253926      4.37066421     -0.18189613
  H      2.57390747     -0.26859361      1.39123928
  O     -2.51714791     -1.87922598     -1.90661486
  H     -3.48693231     -1.70917299      2.02421865
  H      1.34361609     -0.72651605      2.22020374
  O      1.00294052      1.55328592     -1.57081885
  H     -3.42184549     -2.00733917      3.54368014
  H      2.47203870      0.72592754      3.43855650
  O     -0.54330120     -0.52870892      2.19478917
  H     -0.52322369     -0.62659860      0.40729654
  H      2.88249062      1.31387829      4.81095306
  O      3.23364776      0.63713087     -0.19241980
  H     -1.12765534     -1.06179407     -0.98133706
  H     -3.92003189      1.27287851     -2.77172451
  O     -3.99452033      1.21222037      2.19501645
  H     -4.85506226     -1.57684822      0.19057791
  H     -3.40207864      0.89419023     -1.38191087
  O     -6.26610763      2.03585975      0.90466184
  H     -3.53746684     -2.21213045     -0.28686233
  H     -3.17051113      2.68590105      2.96496190
  O     -0.08090883      2.14406086      2.90768747
  H     -2.53631068     -2.43599313     -2.68071074
  H     -1.70190352      3.08234838      3.16009932
  O      0.95294713      3.32379849      0.61110021
  H     -2.99896270     -1.06444276     -2.13278754
  H     -5.36632367     -0.07756168     -1.27167905
  O      2.29505487     -0.56439733      2.26663808
  H      0.49852656      0.77999563     -1.27341700
  H     -6.23789442      0.40279129     -0.10614708
  O      2.47110554      1.53608988      3.98038645
  H      0.42460803      2.04128625     -2.17417060
  H     -1.69341002      0.95888952     -0.17875511
  O     -3.81525279      0.52177231     -2.17614857
  H     -1.38774468     -0.87077665      2.51173332
  H     -2.10053878      2.46889614     -0.20204269
  O     -2.59520670      3.44690859      3.12111436
  H     -0.48396032      0.39947704      2.46579441
  H     -0.55928430      4.09832967      0.03739387
  O     -5.98544368     -0.38752132     -0.59733843
  H      3.91141795      0.28870988     -0.76735356
  H     -2.00113105      4.70474015      0.13289936
  O     -2.41723787      1.57636863     -0.01492152
  H      2.52714685      0.96559925     -0.77113359
  H     -3.11180550      4.63631833      1.95828201
  O     -1.40010413      4.20538321     -0.43117143
  H     -3.78428098      0.34133709      2.54962106
  H     -3.54724369      6.08314715      1.62636476
  O     -3.38089648      5.23021775      1.23440170
  H     -3.42643471      1.33832157      1.41652528
  H      3.25210881      2.51799138      2.50341081
  O      3.46016467      2.88244704      1.63378843
  H     -6.96099008      2.28446083      1.50927160
  H      3.55482034      2.12270785      1.04489071
          69
 Energy    -248.18722907266417     
  O     -2.75664662     -1.46625824      5.02976564
  H     -2.98149936     -1.25896061      5.93282193
  H     -4.55413729     -5.11423770     -3.33837115
  O     -5.75970071     -1.08869871      1.18935107
  H     -2.91390261     -2.41965064      4.91068648
  H      2.02974334     -3.64195698      4.42732125
  O     -0.99428024     -0.28577260      1.27666179
  H     -4.97750590     -0.79434482      1.68835095
  H      0.71165566     -2.98119336      3.95274300
  O     -4.59951009     -2.02300561     -1.23004167
  H     -6.42429846     -0.41357439      1.30076103
  H     -4.11820535     -2.91159561     -2.87759082
  O     -2.90917802     -6.64147864     -1.28247603
  H     -1.25808844     -0.93464885      0.60215590
  H     -2.84680333     -3.73345882     -3.17834490
  O     -5.17092957     -5.64798226      3.52509834
  H     -0.56126845      0.42817224      0.81546611
  H     -1.03901276     -1.45369140      4.24158448
  O      0.86782448     -5.53857198     -1.10491800
  H     -5.08837941     -1.62793178     -0.49731098
  H     -0.40091921     -1.12135924      2.87611497
  O      0.30271518     -4.61048766      1.48883523
  H     -3.67085885     -2.00833606     -0.95850945
  H     -3.82301678     -4.62946863      4.26588325
  O     -3.44543010     -6.42388951      1.41761120
  H     -3.27035665     -6.54893231     -0.38838464
  H     -2.30122218     -4.70645220      4.61208474
  O     -2.40409591     -3.85354619      1.73896528
  H     -3.63789751     -6.55193736     -1.90868937
  H     -0.35539422     -6.27637734      1.85950588
  O     -1.95010595     -2.23496785     -0.36764295
  H     -5.87093880     -6.12991959      3.95586694
  H     -0.67370074     -7.63217946      1.21998019
  O     -4.94001729     -5.97288552     -3.08574676
  H     -5.59473829     -4.97665197      2.95553146
  H     -6.09097520     -2.90050668      1.76083703
  O      1.18749268     -3.82908040      4.02239846
  H      0.81216733     -5.15663410     -0.21718824
  H     -6.14337367     -4.21504374      0.96639159
  O     -3.74769386     -3.56378127     -3.48618963
  H      0.54428902     -6.44220507     -1.01347496
  H     -0.82620983     -6.38902152      3.85709862
  O     -0.23360344     -1.55721417      3.72043526
  H      0.76001455     -4.33452442      2.29258853
  H     -0.10594148     -5.16976582      4.47577045
  O     -3.04714603     -4.09914079      4.48647329
  H     -0.59146149     -4.24583003      1.54241525
  H     -3.35612424     -0.64955095      3.44302609
  O     -0.80255816     -7.11981024      2.02771004
  H     -4.06224811     -6.31634995      2.15123160
  H     -2.70936797     -0.19623748      2.11891908
  O     -6.20660835     -3.85062020      1.86369380
  H     -2.60378286     -6.75023963      1.76858166
  H     -1.42671181     -7.60230657     -0.96021787
  O     -0.87195102     -5.74974440      4.57783694
  H     -2.58059170     -3.75220522      2.68061572
  H     -0.52834179     -8.84410839     -1.15030261
  O     -3.55788454     -0.31042097      2.56247547
  H     -2.84384385     -4.67297303      1.47657926
  H     -0.51785454     -4.65269923     -1.89667037
  O     -0.60586744     -8.02902768     -0.66083400
  H     -2.20133434     -2.74779828      0.41848602
  H     -1.98358325     -5.08602789     -1.78574100
  O     -1.42107388     -4.35329372     -2.07120722
  H     -1.65500542     -2.88195874     -1.02229334
  H     -5.66707647     -5.12331420     -1.49904715
  O     -5.79807454     -4.55242291     -0.73671174
  H     -5.42696059     -6.28944975     -3.84108400
  H     -5.37574609     -3.71210230     -0.96278225
          69
 Energy    -248.18708050123161     
  O     -3.17856378      2.39002581      4.25195420
  H     -4.12671510      2.48379179      4.12020192
  H     -5.01584923     -3.97370546      0.84864917
  O      0.32304871      4.43185272      3.25707925
  H     -2.78142037      2.92270964      3.54619808
  H     -2.26432473      3.27460894      0.73238081
  O     -0.68217808     -0.84837044      2.36702620
  H      1.00597495      5.09375247      3.32079940
  H     -2.90372783      2.94335817     -0.66905878
  O     -3.79064483      0.32194279     -2.28390641
  H      0.69693851      3.68838790      2.74871370
  H      1.35089661      1.55583896      2.71878100
  O     -1.48212329     -0.97977042     -1.71169117
  H     -0.04791670     -0.56934413      3.03863242
  H      0.87195869      1.76244190      1.26881021
  O     -4.10870424      0.97111334      1.23489815
  H     -0.54585841     -0.26657327      1.60471247
  H     -2.98186220      4.75446762      2.47122097
  O     -5.67641356      2.68692668      2.72878681
  H     -3.96838318      1.26719029     -2.23411869
  H     -1.42303214      4.46222636      2.62198143
  O     -7.85408030      0.84245703      0.20873236
  H     -4.49023502     -0.10455365     -1.76851112
  H     -5.14074725      4.44945062      2.82141082
  O     -3.12753810     -0.30267041      3.52940354
  H     -1.16834047     -1.38961433     -2.51349966
  H     -5.35314166      5.93867586      2.50217429
  O     -4.33741429      3.12978396     -1.81264892
  H     -2.29156257     -0.49163557     -1.94705466
  H     -4.79586879     -1.09041168      3.45740646
  O     -5.59023486     -0.68980141     -0.41535524
  H     -3.40572615      1.45001783      0.77914434
  H     -5.51656495     -2.02107802      2.47275880
  O     -4.89863173     -3.03647713      0.97733884
  H     -3.71647275      0.44546111      1.94383059
  H     -0.20408430      3.21086216      4.66678465
  O     -2.26137230      2.65203627     -0.01005119
  H     -5.10043993      2.14499167      2.16515803
  H     -1.45013628      2.40732703      5.08406368
  O      1.28312567      2.21458959      2.01645025
  H     -6.41417252      2.10983097      2.96413045
  H      1.63824483      0.08481422      4.88410736
  O     -2.26059682      4.14339626      2.26378372
  H     -7.18857933      0.21907379     -0.11515311
  H      0.47291419      1.07267580      4.63946810
  O     -4.69371446      5.30965402      2.78535482
  H     -7.86319563      0.73130885      1.16645012
  H     -8.22800057      0.38144365      3.67863427
  O     -5.67401453     -1.39278774      3.18736724
  H     -3.05355893      0.58377876      3.90721526
  H     -6.87702419     -0.13148154      3.13154905
  O     -0.49028393      2.44275083      5.17712458
  H     -2.25418670     -0.55240730      3.19859465
  H     -1.69011519     -2.06762069      1.29431926
  O      1.02557477      0.38942623      4.22019627
  H     -4.50910806      3.74633314     -2.51944550
  H     -2.02748012     -2.00572284     -0.20666377
  O     -7.50819621      0.61010467      3.09661188
  H     -5.11212578      3.15960883     -1.22367501
  H     -0.93874974      1.50225482      0.05537977
  O     -2.27705994     -2.43340801      0.62189037
  H     -5.46330678     -1.57281288     -0.04942528
  H     -0.52350525      0.15411136     -0.55688135
  O     -0.28939617      0.78594495      0.13376005
  H     -5.11083629     -0.08635103      0.17534525
  H     -6.22696975      3.27839210      0.84141009
  O     -6.44149592      3.19402659     -0.09106756
  H     -3.94599144     -2.85790545      0.87766751
  H     -7.02679382      2.42147184     -0.12957349
          69
 Energy    -248.18702576902967     
  O     -0.69323053      4.72454194      2.66395853
  H     -0.14952272      4.72468734      1.85960166
  H      0.45230487      2.40542740     -2.82741261
  O     -2.84794384      6.26278784     -0.50180470
  H     -1.58522230      4.51891960      2.36020916
  H      0.09649559      6.40879187     -2.65766549
  O      4.06648380      6.70836389     -0.31918385
  H     -2.81410661      5.56793495      0.17280495
  H      0.29670340      7.79530525     -2.08111839
  O      1.67658722      7.40184442      0.80300937
  H     -3.53111681      5.98631764     -1.12745553
  H     -4.03728114     -0.02133684     -0.71988106
  O     -0.78590391      5.00124667     -1.86609477
  H      3.24710092      7.06150541      0.06869873
  H     -3.02818387      1.13137813     -0.50977881
  O      2.62251446      2.66418997     -0.06566533
  H      4.66167284      7.44695437     -0.42137470
  H      3.66485024      4.48397230      2.95209678
  O      0.81797468      4.77557375      0.33420819
  H      0.84397530      7.74920467      0.46087492
  H      3.93854727      4.48840252      4.47434428
  O     -1.41128514      1.80568542     -0.07992041
  H      1.57048703      7.23883437      1.75455123
  H     -4.08588797      4.14756507     -2.62780889
  O     -2.84756180      3.98226920      1.11316422
  H     -0.18089000      4.90774948     -1.11253919
  H     -5.15324023      5.20270824     -2.98931497
  O     -0.79868850      8.21599020     -0.32607728
  H     -1.58759899      5.40397579     -1.51472544
  H     -2.35315775      2.50082241     -3.13248980
  O      0.86699481      0.98982750      1.37863868
  H      2.07367965      1.98460255      0.34524985
  H     -3.60957463      1.94944505     -2.44189323
  O     -0.49074044      2.46246716     -2.64140829
  H      2.55183582      2.57871954     -1.02515649
  H      1.85309903      3.23439989      3.63239919
  O      0.63161436      7.20927354     -2.76552290
  H      1.50746751      4.10847014      0.23358199
  H      0.35363567      3.35459423      3.31248102
  O     -3.90735030      0.91267708     -0.86209370
  H      1.23865227      5.63696200      0.45351434
  H      2.92597316      2.47625714     -3.53218992
  O      3.23864937      4.51289398      3.82731679
  H     -0.67493752      1.49364054      0.45902263
  H      2.48848151      3.76216386     -2.79551359
  O     -4.56798205      4.92294487     -2.28990361
  H     -1.05694270      2.00139849     -0.95947125
  H      0.49387412      6.05574229      3.30569513
  O     -3.30848005      2.62067852     -3.06739091
  H     -2.30265794      3.28994808      0.71605296
  H      1.99586625      5.94678427      3.61684759
  O      1.06860605      2.71251792      3.42535173
  H     -3.76566277      3.76273445      0.90178302
  H      3.83919816      3.71942651      0.83061481
  O      2.33887235      2.79979030     -2.85389373
  H     -1.20699542      9.06322165     -0.15951593
  H      4.32583867      5.18594556      0.77243983
  O      1.30645090      6.57602493      3.36918518
  H     -1.52422167      7.57341940     -0.35874857
  H     -5.20589548      3.85576527     -0.76546866
  O      4.29321609      4.40568816      1.33862005
  H      0.94340767      1.57534803      2.15535535
  H     -4.97947764      2.41100844     -0.28122249
  O     -5.27593116      3.28358757      0.00862266
  H      1.03489128      0.10310660      1.68634208
  H      2.11208007      6.11596292     -2.72767399
  O      2.79430797      5.45056620     -2.56035757
  H     -0.65081766      3.40489655     -2.45771746
  H      3.33606138      5.81196325     -1.85037709
          69
 Energy    -248.18700011985663     
  O     10.59463867     12.47280286    -12.25134913
  H     10.70672675     12.53531273    -13.20890160
  H     16.70398685     10.35904781    -11.49876751
  O     14.23599635      8.41270075    -17.41880677
  H     10.48289844     11.53743802    -12.06728183
  H     14.72264034      7.88039256    -13.13078947
  O     11.16650919      9.47316136    -11.68545490
  H     13.28999809      8.64495292    -17.44055423
  H     15.44761540      8.14466288    -11.80068016
  O     14.42101620      8.87294097    -14.64882664
  H     14.36121889      7.69749938    -18.03599067
  H     13.26776779     14.89574237    -11.63413002
  O     14.83129482     11.21743674    -17.29171330
  H     11.56698427      8.61928782    -11.46748417
  H     13.81410348     16.13458526    -12.38759490
  O     11.70424613      9.53929978    -14.43251501
  H     10.90607125      9.86398244    -10.83527675
  H     13.41150981      7.25848901    -11.35725813
  O     12.81221939      8.87307622     -8.51352850
  H     14.94824837      9.68255418    -14.59552618
  H     12.33749655      6.28469271    -10.81370780
  O     13.63066004     10.89041042    -11.73254812
  H     14.44146076      8.58595925    -15.57040014
  H     16.99836627     12.47080627    -11.92868432
  O     10.79048868     10.57298467     -9.25100837
  H     14.77040160     10.26594013    -17.44343947
  H     18.43036408     12.08804574    -12.37211105
  O     15.97344142     13.57719495    -11.05279188
  H     15.30579801     11.32028371    -16.45703308
  H     11.45341137     11.28790011    -14.79597784
  O     13.77529006     12.83931699    -13.74332456
  H     11.38101280      9.42713075    -13.53057911
  H     11.57834033     12.34155423    -15.91687571
  O     16.05557505      9.78529022    -11.07457046
  H     12.64512445      9.30982562    -14.43162064
  H     13.80073769     11.79821873    -10.19096935
  O     14.86664687      7.51558073    -12.24645758
  H     12.81375936      8.23171144     -9.23455673
  H     14.46737640     11.66410899     -8.81556691
  O     13.94804717     15.19955455    -12.26374614
  H     13.72010983      9.18267570     -8.41542606
  H     16.52669437     11.41293002    -13.98175893
  O     12.57630334      7.20671387    -10.85938887
  H     12.78365747     10.43196337    -11.74961409
  H     15.11622220     11.90109140    -14.36751911
  O     17.52347618     11.79475517    -12.39512412
  H     13.62030957     11.57505878    -12.41425842
  H     13.21262897     11.86543971    -17.52241421
  O     11.38751035     12.23877380    -14.97634519
  H     10.87554817     11.44351399     -8.86990669
  H     12.21764590     12.63664390    -18.42142308
  O     14.02937798     12.29937786     -9.39144229
  H     11.48979455     10.02674804     -8.85244479
  H     15.75662053      9.88001253     -9.30547353
  O     15.82646773     11.29441820    -14.63226115
  H     15.42556784     14.24155174    -11.48694295
  H     16.15851866      9.80027911     -7.81416099
  O     12.27449465     12.10252148    -17.63375362
  H     15.40952086     13.18775276    -10.37246230
  H     12.70822497     13.51333200    -10.01584050
  O     15.43296516     10.00639668     -8.39775887
  H     13.81595806     13.71081643    -13.33152998
  H     11.58186252     13.51869958    -11.09998219
  O     12.16861340     14.08479868    -10.57652695
  H     12.92920992     12.75065641    -14.20197588
  H     11.72707775     10.24328755    -17.48454787
  O     11.67472825      9.30712822    -17.25453822
  H     15.18584548     10.11627227    -11.35543845
  H     11.49227948      9.27986082    -16.30545371
          69
 Energy    -248.18697166870166     
  O     16.79825385      9.99311589    -15.14441692
  H     17.50369295      9.33106104    -15.14142903
  H     14.23939340     12.49047179    -12.88951821
  O     15.01902146      7.42119547     -9.03576308
  H     15.98776199      9.56936144    -15.45988193
  H     13.60509564     11.48150347    -10.76023217
  O     17.55664135     12.57663298    -14.82193747
  H     15.20344124      6.90810983     -8.25459383
  H     13.05632445     11.89669041     -9.37544523
  O     12.72568143      8.52489531    -10.33427058
  H     15.39356782      8.30958709     -8.88673788
  H     15.43204089      5.40671449    -14.48652956
  O     14.48999427      8.64481250    -15.78095817
  H     17.97397798     12.89956228    -15.61724722
  H     15.89585450      3.97009882    -14.80782691
  O     18.78264854      8.08948267    -14.95872152
  H     17.27243380     11.66475713    -15.00982336
  H     15.80530312      8.30530990    -11.93000212
  O     20.81967425      9.52130831    -13.67378931
  H     13.39944857      8.03416276     -9.84871627
  H     15.56298171      7.28173693    -10.77694214
  O     17.96412492      6.29701752    -12.98036539
  H     12.90285161      9.45445578    -10.14572748
  H     17.05745606      5.80602787    -16.17518455
  O     11.85800885      7.68963501    -12.77031435
  H     14.65925444      8.27308763    -16.65934951
  H     18.02411345      6.99694139    -16.31850508
  O     15.30835400     13.73909115    -13.60733473
  H     14.43123708      7.90700757    -15.16026831
  H     16.10800707      7.10215997    -17.74806827
  O     12.60610048     10.05431752    -14.23105670
  H     19.56245663      8.55975970    -14.63818708
  H     15.38785574      7.43712424    -19.06760318
  O     13.79498171     11.74426726    -12.46459204
  H     18.52114777      7.47853444    -14.25430576
  H     16.26141954      9.97090569    -13.41809476
  O     13.54968192     11.21581634     -9.82575093
  H     20.37255407     10.33774080    -13.38639767
  H     15.18285090     10.56552214    -12.46658024
  O     16.20125506      4.87178852    -14.74266099
  H     21.74720113      9.72681036    -13.75128207
  H     18.77873777     12.07499032    -13.39073261
  O     15.79262618      7.36137540    -11.70959692
  H     17.54250097      5.63859698    -13.54382409
  H     18.95751256     11.38285164    -12.01155782
  O     17.44852259      6.40712076    -16.82144059
  H     17.24495864      6.66985918    -12.44629208
  H     17.27751635     10.25464286    -11.36004470
  O     15.30390780      7.50308470    -18.12086384
  H     12.15621658      7.97706287    -11.88861403
  H     18.56270077      9.55268852    -10.84813740
  O     15.93876750      9.96753487    -12.50790214
  H     10.95279083      7.40597713    -12.67262892
  H     14.77643935      6.82826813    -13.06612808
  O     19.42979699     11.67893875    -12.80164983
  H     16.10272925     13.38014339    -14.02941347
  H     13.32551504      6.83250664    -13.57025263
  O     18.01250858     10.34241842    -10.73397773
  H     15.50467451     14.65222231    -13.41098780
  H     19.15649981      7.38096577    -11.86172977
  O     14.22446022      6.59398156    -13.82849352
  H     13.20613101      9.68589378    -14.89309107
  H     20.12384383      8.53772959    -12.14785890
  O     19.57968457      8.14523234    -11.45401111
  H     12.24863770      9.29383073    -13.75725188
  H     16.71756516     10.16659457     -9.37399041
  O     15.93810710      9.94411703     -8.84787216
  H     13.30374338     11.24018512    -13.13188612
  H     15.21017186     10.49380402     -9.16345896
          69
 Energy    -248.18684599225446     
  O     15.68285707      9.92061382    -15.23639238
  H     16.54587469      9.48538049    -15.28726234
  H     13.21645958     11.83987335     -8.67050490
  O     16.03087418      7.70950346     -8.76286476
  H     14.99738027      9.24867375    -15.35430921
  H     17.14653113      4.83503396    -14.76977856
  O     16.25439348     12.58635097    -15.29570304
  H     16.25135044      8.65742402     -8.81547854
  H     18.08726883      5.64855657    -15.67373246
  O     13.32449477      8.35175352     -9.45647934
  H     16.43447277      7.37613541     -7.96649260
  H     15.92069032      8.05080610    -11.80914810
  O     13.80426098      7.94027112    -15.27380141
  H     15.95735019     11.66093391    -15.34880860
  H     16.17582930      7.21307883    -10.52698290
  O     18.24473618      8.86479354    -15.13199391
  H     15.98254348     13.01111959    -16.10490022
  H     18.11029775      7.69567430    -16.47201757
  O     18.49260308      7.13193021    -12.95262242
  H     13.34767916      9.29793682     -9.26673932
  H     18.55623417      7.07997092    -17.81669563
  O     12.00768996      7.44480298    -11.64244000
  H     14.17851395      8.00918704     -9.16839057
  H     16.08489892      6.52519011    -17.12269383
  O     15.62272407     12.96527043    -12.56497527
  H     14.16250073      7.41387049    -16.00434343
  H     15.19524078      5.53745608    -16.34830866
  O     12.28438485      9.62659866    -13.50284039
  H     13.90448486      7.39056219    -14.48563286
  H     14.79859576     10.11512850    -12.14327516
  O     13.48858027     11.40672565    -11.79580657
  H     18.54497899      9.75181669    -14.88526249
  H     15.58827003      9.73092001    -13.42044010
  O     13.68634592     11.15047497     -9.13167519
  H     18.33908440      8.29653604    -14.35500641
  H     17.98442496     11.97933750    -14.68303406
  O     18.04540759      5.18140559    -14.83028167
  H     17.70073167      7.07773397    -12.39881764
  H     18.47767500     11.43426441    -13.33316500
  O     16.15497394      7.16320750    -11.48988978
  H     18.46143066      6.36901807    -13.54826693
  H     18.44145269     10.50169125    -11.42152446
  O     17.95180827      6.96102994    -17.08830994
  H     11.15473728      7.12769333    -11.35662305
  H     16.96040707     10.57409501    -11.87578373
  O     15.16537053      6.27327660    -16.97316638
  H     12.46901486      7.76156456    -10.84523545
  H     14.84950970      6.43883280    -12.47746553
  O     15.56138845      9.61763423    -12.46176645
  H     16.39632973     12.59179027    -12.12900714
  H     13.30728482      6.50005743    -12.57673660
  O     18.67582693     11.44190468    -14.27673450
  H     15.82644201     12.96733367    -13.50954255
  H     19.35420220      8.41188187    -11.97807096
  O     17.69493819     11.11055038    -11.53770813
  H     12.67906892      9.17826657    -14.25977135
  H     20.61246798      9.15861829    -11.50924276
  O     14.09807663      6.19250923    -13.03717684
  H     12.09071333      8.92464614    -12.86804027
  H     16.90637768     10.75998538     -9.76429707
  O     19.65894919      9.18916847    -11.48465986
  H     12.99783399     10.95012480    -12.49449591
  H     15.54074564     10.76432476     -9.02671185
  O     16.42646213     10.37823080     -9.02162591
  H     14.11871216     12.04082988    -12.17067357
  H     14.90238106      3.53843419    -14.70520967
  O     15.27833511      4.41185563    -14.78418183
  H     13.55018466     11.30406924    -10.08422327
  H     14.80980616      4.97456765    -14.14600413
          69
 Energy    -248.18659213943945     
  O     -9.39636660      1.87208543      2.81185860
  H     -8.67718536      2.06737568      3.43492115
  H     -5.33659872      0.80466726      2.05684969
  O     -5.86956972      0.61261967      6.14314400
  H     -9.14743305      1.04705017      2.36771094
  H    -11.44915436      1.20722243      5.27742660
  O     -8.35500822     -2.49188885      3.93952749
  H     -5.79485263     -0.18012474      5.58791465
  H    -10.17470633      1.12176523      4.39045042
  O     -7.77174401      4.37735643      6.26385489
  H     -6.45224225      0.41917745      6.88520547
  H    -11.47090060      4.79574097      4.23641546
  O    -12.95209995      2.17627951      5.23808686
  H     -8.66219839     -3.39298644      3.88753456
  H    -11.49131262      5.03036024      5.75888562
  O     -7.33514240      2.28539257      4.50824568
  H     -8.69173636     -2.13053993      4.77880207
  H    -10.93710701      2.88577719      2.85187245
  O     -7.86629117      0.31825154      8.14341718
  H     -8.13413217      4.97249075      5.59005548
  H    -11.97241823      3.71954115      2.07574998
  O     -9.45952690      2.45926167      7.32309438
  H     -6.85416916      4.63678140      6.41726376
  H     -8.43953701     -1.18886132      2.55555005
  O    -11.86192264      3.90652926      7.27748867
  H    -12.73601421      2.63146157      4.41337284
  H     -7.41326543     -0.35876331      1.76614367
  O     -5.91618108      6.26582634      3.84902473
  H    -12.76842979      2.80468615      5.94783130
  H     -8.66289606      5.44789178      3.32670038
  O     -5.21631217      2.44278842      2.72728996
  H     -6.89097243      1.62304015      5.05573276
  H     -9.60885315      5.92539634      4.46012664
  O     -5.50725609     -0.11052246      1.77834688
  H     -7.46512905      3.06375100      5.06413051
  H     -5.27323566      5.46487554      0.85147424
  O    -10.52743908      0.91034593      5.26128984
  H     -8.42523415      1.09338180      7.97273640
  H     -5.68658423      5.44356750      2.34309262
  O    -11.26304909      5.44589578      4.91971953
  H     -7.83378025      0.20717517      9.09061649
  H     -8.73903431     -0.96117853      6.93644952
  O    -11.74419302      3.41360885      2.95123931
  H     -9.77378472      1.94972970      6.55976329
  H     -9.80985806     -0.62719123      5.88948836
  O     -8.36015978     -0.46738694      1.91842279
  H     -8.86590154      3.15543669      7.00314509
  H     -6.59715495     -1.88034890      4.21396425
  O     -8.68399726      5.91797447      4.17374387
  H    -11.03823608      3.41751129      7.42814370
  H     -5.56717531     -1.02929280      3.45503381
  O     -5.65103361      4.90965606      1.52789859
  H    -12.18125771      4.17649362      8.13526206
  H     -4.59001310      1.91310532      5.75382694
  O     -9.24977290     -1.34631529      6.21748842
  H     -6.86968020      6.33702289      3.99755238
  H     -4.23456439      2.58778689      4.41752686
  O     -5.76205803     -1.40761328      4.32103259
  H     -5.54042994      5.92288356      4.66798547
  H     -8.69088269      3.53006053      1.93971061
  O     -4.10480531      2.65782752      5.37083865
  H     -5.25910423      3.26998996      2.23135195
  H     -7.54486920      4.51167334      1.58263362
  O     -8.47962744      4.46135147      1.81818693
  H     -5.97797840      2.44222046      3.32720984
  H     -4.65546580      4.18702636      5.98549479
  O     -5.04682767      5.02514032      6.29025578
  H     -4.88281212     -0.30743968      1.08458825
  H     -4.43328714      5.40573703      6.91280921
          69
 Energy    -248.18641835488773     
  O     13.73684089     11.62987603     -8.56052221
  H     13.73922623     11.48104920     -7.61874901
  H     11.56740638     13.68132425    -13.24597851
  O     11.29219482     10.96322801    -15.20856533
  H     13.98297232     10.78279565     -8.97795209
  H     13.43765720     14.63398108    -11.71741275
  O     14.26492809      9.33157498     -9.85248608
  H     11.35709744     11.18314116    -16.14557689
  H     13.53029989     13.27700473    -12.45577295
  O     18.52256447     13.42922454    -13.39278858
  H     11.17552920     11.80102434    -14.73851035
  H     11.70876963     14.08923691    -15.39987643
  O     11.70691014     12.04095105    -10.44161287
  H     15.07802211      9.18614902    -10.35477875
  H     12.05172578     13.56011571    -16.80104736
  O     12.13667713      9.49603398    -11.67627223
  H     13.53425243      9.16680529    -10.46210149
  H     15.44190519     12.00982311    -12.71452410
  O     13.52355142      9.78800633    -14.06403619
  H     18.19548519     12.93794419    -14.16891237
  H     14.25698028     11.30857724    -13.46294123
  O     14.87042896     15.65772251    -11.15597786
  H     19.44601225     13.60862367    -13.54609496
  H     16.61827419     12.79279417    -15.65029310
  O      9.81213921      9.64365858    -13.16425695
  H     12.28673209     11.91567662     -9.68022973
  H     16.92315550     11.29766041    -15.46106463
  O     14.93293993     13.70444017    -15.47788243
  H     12.11413191     12.74184656    -10.97231937
  H     12.76216200     11.70185777    -17.73626131
  O     14.44557282     11.53683347    -17.34006786
  H     12.04098223     10.36528928    -11.26494143
  H     11.56417420     11.78133439    -18.71490145
  O     10.85498314     13.38170816    -13.83051524
  H     11.30422401      9.34187124    -12.14564187
  H     17.42195292      8.69655074    -11.17309962
  O     12.90562448     13.91087262    -12.06719352
  H     13.16478337      9.53333210    -13.20331399
  H     16.79303732     10.05733823    -11.51001879
  O     12.31309297     14.21493799    -16.14223362
  H     12.77966472     10.15017163    -14.56814306
  H     16.18779348      8.84092548    -15.65531104
  O     14.62964051     12.16333297    -13.21390099
  H     15.40568421     15.55481733    -11.96366266
  H     15.03581663      9.64648452    -15.02590114
  O     17.33256488     12.17124803    -15.45917489
  H     14.94673165     16.57029493    -10.89126133
  H     16.60946687     12.34340221    -10.96171920
  O     11.80949943     11.89737395    -17.80144877
  H     10.20429352      9.96856494    -13.98595941
  H     17.58962738     12.37051447    -12.18553410
  O     16.59025485      9.11667005    -11.37947582
  H      9.45855274     10.42575840    -12.72320636
  H     10.06625479     12.08534105    -11.20694043
  O     15.81089527      9.71618884    -15.60741925
  H     14.05138155     14.02361467    -15.72296487
  H      8.55190284     12.38827725    -11.23595561
  O     16.94974801     11.82784442    -11.71086465
  H     14.82411456     13.14857250    -14.68899241
  H     17.11215953     14.72471152    -13.37748592
  O      9.28926493     12.14030053    -11.78827964
  H     14.64399205     12.32353497    -16.81753172
  H     15.83055194     14.91886979    -14.21066196
  O     16.29870754     15.24128902    -13.43185648
  H     14.92241517     10.81737283    -16.91069142
  H     15.02786577     12.82204786     -9.33150114
  O     15.75295825     13.28853920     -9.76474622
  H     10.15773716     13.06174675    -13.24606613
  H     15.40131042     14.11573460    -10.11396932
          69
 Energy    -248.18616168858154     
  O     13.60313902     11.97388984    -16.45665930
  H     14.13128401     12.03155587    -15.65567878
  H     14.91435118      5.17931116    -17.31989227
  O     15.13230927      7.34733600    -12.77228905
  H     12.68447729     12.08724712    -16.16839532
  H     17.93905769      8.49491527    -11.55954986
  O     16.07057811     11.29871349    -11.26443338
  H     15.31734862      8.02350881    -13.44475542
  H     18.78000168      9.63608328    -12.16152994
  O     17.62579433     11.88921322    -14.59613101
  H     15.54015943      7.66426648    -11.95724367
  H     17.32458453      9.16089551    -16.91146638
  O     13.19967796      8.01552639    -16.07658327
  H     17.00678827     11.47313093    -11.42475292
  H     18.24546478      8.80092096    -15.69396362
  O     11.58526815     11.22130950    -10.34501618
  H     15.61583364     11.47639472    -12.09775768
  H     14.66296072      8.85009523    -15.28777102
  O     12.53183924      8.17283969    -13.31312383
  H     17.71676770     11.14792360    -15.21189008
  H     16.18168086      9.25795054    -15.27376431
  O     14.81178533     11.66136997    -13.78098507
  H     16.68270636     12.02051543    -14.45202798
  H     10.29729922     12.57470899    -15.11753125
  O     16.53032759      5.87374682    -14.70598736
  H     13.70314254      7.24422523    -16.37330836
  H     11.37793624     11.68408928    -14.48022970
  O     11.97606907      8.37877388    -10.51215407
  H     13.17521140      8.63149860    -16.82089207
  H     13.94362895      7.78528656     -8.08187802
  O     18.90759425      7.45143352    -14.58201816
  H     10.99383218     11.74394458     -9.81097255
  H     13.36697907      8.25228493     -9.43897105
  O     15.00621142      6.04206649    -16.92512230
  H     12.46712320     11.28366086     -9.93474143
  H     18.41366290     11.69699386    -13.06378005
  O     18.64646225      8.68062678    -12.18929193
  H     12.52274791      8.06745940    -14.27288449
  H     19.44577672     12.14360167    -11.99845469
  O     17.75859493      9.51798490    -16.12080911
  H     13.38302099      7.80828918    -13.02640218
  H     16.20188468      9.51221028    -10.82476065
  O     15.37364364      9.21737783    -14.74718154
  H     13.89244915     11.59262559    -13.48857275
  H     15.66136208      8.39909582     -9.89595832
  O     11.08883071     12.08168580    -15.31710111
  H     15.04528727     10.77279989    -14.10190752
  H     14.16550937     10.25015036     -8.98587056
  O     14.13499787      8.32417204     -8.84470900
  H     16.03495044      6.19747941    -13.94154605
  H     14.79754603     11.33252273     -9.88984871
  O     18.73191980     11.53232271    -12.15732077
  H     17.37666679      6.33683648    -14.68815340
  H     15.82266863      7.57080420    -17.76147544
  O     16.31198163      8.58028289    -10.58567354
  H     12.01677048      8.18875889    -11.45729819
  H     15.35030400      8.97578527    -18.17431830
  O     14.06671246     11.16421142     -9.28030887
  H     11.68081883      9.29483517    -10.43706936
  H     11.95046968     11.12087473    -12.13130144
  O     16.14105079      8.43806671    -18.04040359
  H     19.78141692      7.07159073    -14.62484225
  H     12.31851342      9.99630536    -13.14533741
  O     12.21504851     10.95328612    -13.04440386
  H     18.82780050      7.86950505    -13.70537226
  H     13.20497951     10.11813221    -18.94290422
  O     13.66156607      9.86927251    -18.14373590
  H     15.56967843      5.93136366    -16.13796396
  H     13.68516475     10.66220890    -17.57858474
          69
 Energy    -248.18599357399665     
  O     15.46663035      6.76314423    -13.57651000
  H     16.33022841      6.95563852    -13.18529570
  H     14.44466839     11.64048305    -16.22407976
  O     17.78201394     10.16249493    -11.38237899
  H     14.79827589      6.83385634    -12.88257939
  H     14.75921022      9.55095863    -15.15325654
  O     17.41562246     10.82942252    -15.53482657
  H     17.74298827      9.90056376    -10.45437165
  H     15.35994009      8.47539122    -14.18867918
  O     12.45875963      7.58231616    -16.44606366
  H     16.92065043     10.54617483    -11.60511070
  H     10.83381926     11.23686221    -12.88528004
  O     14.77425354      8.67659203     -8.56534493
  H     16.74374310     10.29355238    -15.08434667
  H     12.32671714     11.55693338    -13.09766385
  O     13.49294160      7.15258322    -11.65240540
  H     18.02554065     11.15599668    -14.85787108
  H     17.65799170      6.77826475    -10.96491591
  O     15.31545159     11.04571150    -12.21752687
  H     12.24798947      7.75311486    -15.51042842
  H     17.53852223      7.40110734     -9.56293180
  O     17.29319091      6.93003809    -17.39023802
  H     11.67274499      7.21581002    -16.84224350
  H     12.40001488      7.67921519    -13.12040066
  O     14.79892471      5.95455479     -9.48979973
  H     14.67836278      7.73435259     -8.75310365
  H     11.89496327      9.07231814    -13.55449876
  O     18.64837919      8.14844531    -15.21090148
  H     14.18306879      9.13279314     -9.17777924
  H     20.07386428     11.28882931    -13.40835732
  O     14.96664320      6.20117450    -16.23675205
  H     13.83312488      6.61537656    -10.92548263
  H     18.75587186     11.01656575    -12.66777376
  O     14.89957845     12.36432453    -15.76836573
  H     13.45736403      8.05995461    -11.31884971
  H     18.28542727      7.71916817    -13.50616650
  O     15.31594242      9.42057767    -14.37496865
  H     15.30031315     10.43572167    -12.97476720
  H     17.89066868      8.49501899    -12.22125472
  O     11.70988808     10.86218125    -12.82065066
  H     14.84622096     11.83453295    -12.50864313
  H     16.47840352      9.06116935     -8.65266036
  O     17.37154399      6.59168903    -10.06084258
  H     16.44832625      6.62632505    -17.01179432
  H     17.80117301      9.40364319     -7.92719882
  O     11.97249200      8.15582788    -13.84282491
  H     17.59097610      6.24552607    -17.98303649
  H     16.90994251     10.09877155    -17.25863990
  O     19.13063256     11.42650585    -13.46259403
  H     14.75211489      5.11697993     -9.03725304
  H     16.74994939      8.67803994    -17.83593630
  O     17.92421311      7.61260998    -12.61345854
  H     15.73476998      6.09811952     -9.72081319
  H     14.12883964     10.21796804    -11.14200933
  O     17.43786845      9.17210591     -8.77781729
  H     18.25780463      7.65717446    -15.94536432
  H     12.60591012     10.13575434    -11.24383511
  O     16.41371830      9.58083332    -17.90524287
  H     18.43817196      9.07213779    -15.38018269
  H     14.03014161     12.73416491    -14.32982875
  O     13.35351695      9.80107050    -10.73662416
  H     14.10339189      6.60419207    -16.38023399
  H     13.49041001     13.82661090    -13.37787067
  O     13.56842921     12.88224579    -13.48414135
  H     15.13350966      6.25478164    -15.28426136
  H     13.37740640      9.17044115    -16.80945012
  O     13.95218394      9.94300855    -16.76888911
  H     15.82790528     12.10862885    -15.74466134
  H     14.74325002      9.75878233    -17.30236346
          69
 Energy    -248.18594224532021     
  O      1.60978010      0.44066074      4.58446270
  H      1.12301144      1.24520807      4.78852244
  H     -3.82564025     -2.42445545      3.73883059
  O      0.96110774     -0.11731101     -2.94863062
  H      1.09497058     -0.28615406      4.96757332
  H     -3.37544809      2.45582655      0.98640863
  O     -0.05743593     -1.66259007      5.31813335
  H      1.13868720     -1.03471596     -2.70611871
  H     -3.67285224      3.19436589      2.29946055
  O     -1.16759350      0.36731382     -1.07669511
  H      0.12028131      0.10767900     -2.53084561
  H     -2.95967560     -1.39875174      7.24464431
  O      1.59940980     -2.66662998     -1.74752535
  H     -0.90436709     -1.49897096      5.75066421
  H     -3.20185221     -1.32344599      5.71410316
  O      3.22510654     -1.16222021     -0.19660075
  H     -0.26514905     -2.01038831      4.44485112
  H     -1.40196992      3.14955579      1.95196185
  O     -4.55937499      2.75051866      3.92455496
  H     -0.49670207      0.84153780     -0.56541071
  H      0.02382230      2.58812266      1.57696218
  O     -3.07574993     -3.63301461      2.49358030
  H     -1.05594415     -0.57118249     -0.86225302
  H     -1.22961794      1.16268071      2.54179057
  O     -0.06144940      2.77832675      4.97497647
  H      2.06314931     -3.40791795     -2.12712228
  H     -2.15313793      0.55067940      3.60394767
  O      2.84104908      1.32427845     -1.60191538
  H      2.23582902     -2.19262048     -1.18194424
  H      0.01767177     -2.55101786     -0.83172627
  O     -5.26041735      0.24475232      2.73915416
  H      3.28209419     -0.29848270     -0.62280757
  H     -0.63248689     -2.32213879      0.57207599
  O     -4.10824221     -1.72172481      4.33408239
  H      2.82574491     -1.01012473      0.67114265
  H      0.98669494     -1.25744947      2.18680812
  O     -3.13708153      3.23779932      1.49637746
  H     -5.07592231      3.30585756      4.50300660
  H      1.79155482     -0.17814601      2.94176569
  O     -2.61570242     -1.02804813      6.43688553
  H     -3.86590328      2.34157225      4.47018029
  H     -1.66525275      1.90218713      5.30416931
  O     -0.53569668      2.89373119      2.30396361
  H     -3.31921796     -4.55428226      2.46132211
  H     -2.52630540      0.68640558      5.80378090
  O     -1.74496079      0.37267326      2.74874084
  H     -3.35359235     -3.23628979      1.64816905
  H      1.18098878      0.79156455      1.00557990
  O     -0.80003079     -2.30836580     -0.37849526
  H     -0.17671034      2.91705491      4.01783281
  H      1.61041451      1.61847085     -0.23593647
  O      1.67121556     -0.58983522      2.07114259
  H      0.31865994      3.57942239      5.32658525
  H     -1.07050560     -1.25172959      2.57663570
  O     -2.53370864      1.48062820      5.25382330
  H      2.21234521      0.86038519     -2.18374148
  H     -1.43851462     -2.76231893      2.54663589
  O      0.91551050      1.52173047      0.42635759
  H      3.37600356      1.88242813     -2.15924065
  H     -2.66379253     -2.46642855     -0.23135291
  O     -0.69920846     -2.14430617      2.47154873
  H     -5.16823375      1.11819411      3.14003817
  H     -3.71620838     -1.43616965      0.20701356
  O     -3.55240128     -2.38373345      0.14303142
  H     -4.88721187      0.32714785      1.85460044
  H     -2.78404333      0.54141642     -0.18556533
  O     -3.43705961      0.49396262      0.52710898
  H     -4.58497417     -1.07387905      3.79587621
  H     -2.92072477      0.40291294      1.34422408
          69
 Energy    -248.18588417024552     
  O     -5.77246137      0.16887352     -0.06783567
  H     -5.38998859      1.04928041     -0.20915709
  H     -0.67697859     -2.21590161      3.69714351
  O     -5.18150169      1.07964089     -4.46020784
  H     -5.74570594      0.00399648      0.88206640
  H     -1.54952009      1.90775490      3.74111319
  O     -5.29177515     -0.31881190      2.70335807
  H     -4.63419497      0.36030397     -4.79895586
  H     -1.20231217      3.17849596      4.52947121
  O      0.33798471     -0.98942105      0.97557139
  H     -5.81490406      0.66975599     -3.85820814
  H     -3.65924685      2.18049454     -0.05707047
  O     -1.60252715     -0.83379484     -0.96610023
  H     -4.43225574      0.08471464      2.91056506
  H     -4.54052340      3.46195131     -0.09570209
  O     -3.41309240     -1.12749016     -5.04107531
  H     -5.85119406     -0.17479698      3.46296354
  H      2.64591807      1.40879120     -0.12982716
  O     -4.04872966     -2.03080945     -0.56490953
  H     -0.27449348     -1.07264680      0.22916265
  H      1.27121557      1.52972915     -0.82628584
  O     -1.70654190      0.41143877     -3.42417393
  H      0.89169071     -0.23025275      0.76428848
  H     -1.41051450      4.86082754     -1.03197761
  O     -3.44143718      2.58893214     -2.98868499
  H     -1.59429173     -0.47596107     -1.86309915
  H     -0.98932399      4.49818242      0.40681238
  O     -0.10215266      3.11347230      1.25315138
  H     -2.42766770     -1.32601202     -0.85745028
  H     -5.72532559     -1.75795689     -3.06223359
  O      0.40132492      1.92091701     -2.28370834
  H     -3.92911977     -1.64069954     -4.39306916
  H     -4.57737803     -2.42508693     -2.29679164
  O     -1.20312684     -1.73946431      3.06071666
  H     -3.32512984     -1.67362618     -5.81728739
  H     -2.18815252     -0.20764738      3.19419261
  O     -0.86012055      2.57508641      3.87319744
  H     -3.93439187     -2.43367786      0.30762324
  H     -2.57828159      0.90686240      2.18649401
  O     -4.48176641      2.55085499     -0.41600376
  H     -4.62245563     -1.26298789     -0.44083836
  H     -2.86137710     -2.48098339      2.41174386
  O      1.70693350      1.35828120      0.02876172
  H     -2.17136721     -0.15424488     -4.05292349
  H     -4.33200467     -2.01585268      2.39332772
  O     -1.56257447      5.08360234     -0.10566088
  H     -2.29480931      1.15916256     -3.24544711
  H     -1.91724157      0.67436702      0.01133469
  O     -4.96037085     -2.33441818     -3.18027889
  H     -3.84530867      2.61590848     -2.11056275
  H     -1.45478493      2.02690895      0.66958532
  O     -2.71944810      0.59526695      3.09510732
  H     -4.08910301      2.18446652     -3.58413663
  H     -3.27345345      5.16915116      0.30777391
  O     -3.73807860     -2.70718045      2.07700376
  H      0.63368444      2.56417339      0.95557584
  H     -4.54006523      6.01981946      0.50815359
  O     -2.20457881      1.43261500      0.53631546
  H     -0.23543322      2.96473269      2.20017640
  H     -6.57149209     -0.12580497     -1.65989218
  O     -4.23144538      5.11899591      0.47336156
  H     -0.02030052      2.77900820     -2.41359255
  H     -7.83194020     -0.28504019     -2.53521555
  O     -6.87822782     -0.29431112     -2.56564002
  H     -0.15400679      1.29556398     -2.76557309
  H     -2.05367643      3.69213837     -2.92370722
  O     -1.23826550      4.20774388     -2.80080408
  H     -0.60324736     -1.48837620      2.33489345
  H     -1.15545350      4.77200476     -3.56578596
          69
 Energy    -248.18582838234562     
  O     -4.04595523     -0.14767454      3.53098272
  H     -3.69611840      0.74892969      3.61288668
  H     -6.10003217     -2.73203848      2.13258964
  O     -0.47638189      4.32777996      1.54995288
  H     -3.28583109     -0.71818884      3.34728384
  H     -3.77575627      1.42027886     -0.00197825
  O     -1.78578915     -1.49542162      2.71254644
  H     -1.42959168      4.38243635      1.38063194
  H     -3.39123270      1.85379996     -1.44248062
  O     -4.07878606     -1.00825789     -2.50449364
  H     -0.12314033      5.19238028      1.35716851
  H     -6.10090034      3.96834731     -0.26089641
  O     -1.80784388     -2.17324367     -1.18539760
  H     -1.61394707     -0.96180621      1.92295686
  H     -6.35886149      5.41940680      0.21683361
  O     -4.97328582      0.71213557      1.07157945
  H     -1.08575394     -1.27548717      3.34233335
  H     -0.18607776      2.64754356      2.18536895
  O     -6.61894781      2.65882050      2.33676867
  H     -4.79345044     -1.22312374     -1.88760128
  H     -0.46983256      1.18423277      1.73644157
  O     -8.01955457      0.59791438     -0.55857030
  H     -3.27892199     -1.39477464     -2.13089582
  H     -5.27044674      2.89884284      5.58294715
  O     -2.87973427      2.42526987      3.41063588
  H     -2.27264407     -2.63492975     -0.46336441
  H     -4.32358947      2.97033650      4.37507332
  O     -4.33945782      1.61919509     -3.00884134
  H     -1.24754651     -2.82025485     -1.60600131
  H     -4.10463082      4.36811369      0.94543769
  O     -5.98601181     -1.34254682     -0.51479627
  H     -5.58583036      1.39334336      1.37418457
  H     -3.09292971      3.30622743      0.46457849
  O     -5.82857183     -3.36814634      1.44684658
  H     -4.61296640      0.30467118      1.87012835
  H     -7.16116928     -0.80007402      2.94957390
  O     -3.07922747      1.84458077     -0.53014239
  H     -6.19055375      2.85612656      3.18236149
  H     -5.72364907     -0.98945217      3.50563822
  O     -5.91675217      4.60880249      0.45302517
  H     -6.47289206      3.41055666      1.74989957
  H      0.15107846      0.45580720      3.72916606
  O     -0.27283952      1.73828471      2.50469506
  H     -8.27088264      0.55506176      0.37079249
  H      1.08507030     -0.39309371      4.60750750
  O     -5.22924724      3.16054580      4.66599810
  H     -7.45349780     -0.17316484     -0.69917487
  H     -9.19319893      0.76796159      2.76240935
  O     -3.22189624      4.01881963      1.11095814
  H     -1.96271139      2.15405032      3.28522080
  H     -7.82280968      1.36886626      2.37613198
  O     -6.52406592     -1.46305636      3.24133452
  H     -3.08719499      2.98786262      2.65095652
  H     -2.61141007     -2.83029489      1.69652917
  O      0.19512637     -0.35149889      4.26705853
  H     -4.19932031      1.80710621     -3.93246398
  H     -3.96089698     -3.36103242      1.14459636
  O     -8.36839350      0.56526415      2.32715926
  H     -4.26285289      0.65263301     -2.90408284
  H     -1.80856854      0.72762041      0.06497770
  O     -3.01832447     -3.29508275      0.95268781
  H     -5.64092950     -0.62194370      0.03532798
  H     -1.25830629     -0.68965193     -0.17484803
  O     -1.20847723      0.06123363      0.43017912
  H     -6.00185551     -2.12504172      0.04798762
  H     -7.05146526      2.02588625     -1.14701345
  O     -6.44253615      2.73946703     -1.38759548
  H     -6.32504842     -4.16724052      1.60176092
  H     -5.79689597      2.36411517     -1.99583165
          69
 Energy    -248.18557982253134     
  O     18.85157349      6.92858811    -11.14715180
  H     18.11260415      7.43009991    -10.77735851
  H     17.14690359     13.11487875    -14.49864959
  O     17.14428707     10.81176714    -11.56170596
  H     18.44705497      6.22631206    -11.67120351
  H     12.24853331      9.62621013    -15.84842917
  O     11.60147777     10.68629188    -14.62306279
  H     17.80543759     10.68105397    -12.25470536
  H     12.08406261      8.67639441    -17.05965344
  O     15.22746851      6.79134827    -12.55782048
  H     17.00273139      9.95508244    -11.13450522
  H     14.21156625     10.36616203    -12.13762433
  O     12.91349762      7.76976727    -11.22185703
  H     11.48519483     10.41024127    -13.70559963
  H     15.65459481     10.57355013    -12.59261172
  O     17.51274870      5.21588757    -13.03214360
  H     12.19051134     11.45113435    -14.59984510
  H     15.23081401     11.28509747    -17.22869403
  O     13.84331876     12.44213301    -14.55802233
  H     15.93224673      6.14940461    -12.70981421
  H     13.84846432     10.59777788    -17.04582540
  O     17.38205202      8.89117400    -15.67653784
  H     15.07799061      7.24571286    -13.39948942
  H     14.09256102      8.99423746     -8.01318989
  O     16.48717170      8.30490428    -10.55041036
  H     13.29853683      7.98800645    -10.36414822
  H     14.00988731      9.71772840     -9.38019513
  O     17.11232184     11.17402722    -17.28523887
  H     13.60956646      7.31416236    -11.71168804
  H     19.95410776      7.81624891    -12.17020003
  O     18.93710940      6.76106716    -14.74667117
  H     18.00261504      5.71859268    -13.70808856
  H     21.40240999      8.19175933    -12.56468996
  O     17.72289565     12.58321160    -15.05918555
  H     17.64833703      4.29204644    -13.22457657
  H     15.61761218     15.05267066    -13.84908055
  O     12.73569384      9.08751416    -16.49864575
  H     14.17357548     11.72344908    -13.99886903
  H     15.01071052     13.63792047    -13.99174485
  O     14.76930063     10.36651776    -12.92212085
  H     14.01597348     12.18875727    -15.47923279
  H     16.10820584     12.29629731    -11.05909931
  O     14.29501587     11.45233697    -17.06143941
  H     16.47943796      8.66684394    -15.40944106
  H     15.49359805     13.47530321    -11.81886732
  O     14.26231251      8.88329478     -8.94451172
  H     17.31568132      9.58560946    -16.34334630
  H     12.67859572     11.02893215    -10.87149992
  O     20.49411922      8.26840326    -12.84346428
  H     16.04828985      7.82580022    -11.26860009
  H     14.02923526     11.83329461    -10.61716379
  O     15.75621015     14.13779988    -13.61584623
  H     15.81781029      8.45501141     -9.87209394
  H     19.48654054      9.72627697    -13.40646098
  O     15.39091921     12.94564591    -11.02029180
  H     17.63168919     11.48690981    -18.02113383
  H     18.28195690      9.81701558    -14.36916068
  O     13.51202979     11.04464896    -10.39003083
  H     17.32497432     11.74830811    -16.52635070
  H     10.48154338      9.76759251    -11.57604160
  O     18.78949560     10.31862789    -13.71460623
  H     19.58946819      7.23446262    -14.21646371
  H     11.86893334      9.10363601    -11.71641376
  O     11.36508950      9.91547272    -11.90526368
  H     18.42229183      7.44153043    -15.20202381
  H     14.75651548      9.10283949    -14.14280971
  O     14.81796815      8.37554464    -14.78311909
  H     18.19658852     11.96455839    -14.48850074
  H     14.09707620      8.49263344    -15.41309754
          69
 Energy    -248.18549059773227     
  O     11.81577046     10.00686528    -15.08931857
  H     12.29859276     10.83522351    -15.19009374
  H     16.21123966      5.52393902    -14.74831685
  O     16.37863345      6.44474662    -13.15060689
  H     12.28152740      9.36267742    -15.64137213
  H     19.08426867      7.87637574    -13.46114433
  O     17.37026968     11.72124999    -12.64073930
  H     15.80921424      6.54822479    -12.37601443
  H     19.75976511      6.69925497    -12.72731423
  O     18.13989163     11.40411599    -15.20261488
  H     17.27660407      6.70120009    -12.90676403
  H     15.64212770     10.63199460    -17.30090843
  O     13.19501128      5.49559637    -15.70672015
  H     16.42513604     11.54645552    -12.75964607
  H     16.52981498     11.34498564    -16.24335433
  O     15.24536672      9.91131664     -9.10170006
  H     17.56386666     11.48209431    -11.72821549
  H     15.66094500      7.89102634    -14.00876769
  O     14.55308856      6.93599737    -11.14145097
  H     17.90461034     11.53665690    -14.26600107
  H     14.64647275      8.46703888    -15.05925999
  O     14.77018161     10.97684298    -13.18454418
  H     18.74421886     12.10645931    -15.43126602
  H     10.27902676      8.85259344    -12.60381099
  O     17.05336717      7.67845701    -16.53454095
  H     12.59062940      4.79041858    -15.92220919
  H     11.39747765      9.25399667    -13.59488369
  O     16.11326950      7.17584737     -8.83386172
  H     13.00586170      5.75352453    -14.78557266
  H     18.57646467      7.94104578    -10.98113247
  O     19.10765906      8.74642528    -14.96565742
  H     15.44750963      8.99856669     -8.86258684
  H     18.18386636      9.14663449    -10.09121556
  O     16.05796870      5.27682738    -15.67230529
  H     14.53344886      9.86181268     -9.75364970
  H     12.10626147      7.12626147    -13.07229306
  O     19.02405169      7.30498646    -12.67566992
  H     15.02043023      6.87681960    -10.29908336
  H     13.29361405      6.36575679    -12.45698692
  O     15.69778758     11.40572238    -16.72960224
  H     14.21285955      7.84092529    -11.19751725
  H     17.95877598     11.53659462     -9.24302260
  O     15.40747086      8.68230677    -14.50354251
  H     15.05064011     10.17808682    -13.66177618
  H     16.74825883     10.65656872     -9.62475065
  O     11.21527801      8.77518600    -12.76588350
  H     14.29600489     11.52555981    -13.81959974
  H     15.63441098      8.85961623    -19.20670336
  O     18.27631125      8.18548457    -10.09754688
  H     16.80576204      6.75398497    -16.38119332
  H     16.10692116      8.46441395    -17.78619989
  O     12.66986643      6.35205444    -13.19298907
  H     16.61211399      8.17886844    -15.83048971
  H     13.92777737     10.09273586    -11.88524955
  O     17.63132528     10.94570461     -9.91655121
  H     16.37487438      6.66777252     -8.07140017
  H     12.61932385      9.30590357    -11.64548546
  O     15.43627032      8.96813130    -18.28035433
  H     16.93272945      7.47640608     -9.26893774
  H     13.36250120     13.18040705    -15.56802635
  O     13.47374054      9.51781558    -11.25101633
  H     18.58753231      8.28410254    -15.63560986
  H     14.29294499     11.98718468    -15.89118902
  O     13.53401776     12.26889847    -15.34849907
  H     18.83903568      9.67162935    -15.02543320
  H     13.99483509      8.37662930    -17.18258645
  O     13.41130010      8.18158849    -16.43954360
  H     15.09882763      5.23455300    -15.76377824
  H     13.32421246      7.22313018    -16.35082336
          69
 Energy    -248.18504392998685     
  O     19.01580546      7.69085582    -13.91361324
  H     18.74896507      7.83880267    -12.99654642
  H     13.11024770      7.55434242    -12.30777027
  O     17.19237576      4.51219863    -16.71926934
  H     18.35016311      8.13592852    -14.45694906
  H     16.21559756      5.77486992    -13.19182998
  O     13.82853270      5.37244075    -10.03422036
  H     17.64413461      4.08896811    -17.44669801
  H     14.94704101      6.65300834    -12.96392848
  O     12.33552930      3.10183080    -10.76717902
  H     17.87533412      4.76734049    -16.07921167
  H     19.08129239      6.06183531    -14.45467842
  O     15.85285783      6.95800177    -17.42585217
  H     14.08566423      6.03704173     -9.38289438
  H     19.99377542      4.84089795    -14.70344912
  O     14.90436518      7.35810930     -8.40034748
  H     14.61919408      4.84225359    -10.21484976
  H     13.62052445      8.49493741    -15.47892713
  O     14.62112562      1.37052569    -10.84761024
  H     13.04088286      2.45184374    -10.65721452
  H     14.93915933      9.17333813    -15.07793815
  O     16.67245635      8.44911840    -15.24376154
  H     12.69050303      3.92993933    -10.41900605
  H     12.65139668     10.09338638    -12.23124044
  O     11.51435535      2.81701220    -13.33355043
  H     16.25633874      6.10194425    -17.24089148
  H     13.53753758      9.39741520    -13.29067195
  O     13.99903895      1.38952132    -13.49854470
  H     14.92218598      6.88165548    -17.17975576
  H     12.33151422      4.20577582    -14.25081694
  O     15.20664376      3.41123450    -15.04017651
  H     15.03574074      8.05816099     -9.06585557
  H     12.96620976      5.54081934    -13.79603479
  O     13.21338044      6.59987580    -12.41064001
  H     14.78934371      7.79363894     -7.56058482
  H     12.99671164      6.17508130    -15.84427531
  O     15.86090071      6.66850523    -13.27138582
  H     14.74709856      0.47771896    -10.53758093
  H     12.38054598      6.89869326    -17.06039876
  O     19.08581965      5.13027740    -14.74183492
  H     14.46861325      1.31615702    -11.80793440
  H     14.71909962      9.30564944    -11.07484044
  O     13.98206358      9.21359642    -14.94808828
  H     16.49730143      8.03059704    -16.09914641
  H     16.18718393      8.89583489    -10.76957480
  O     13.28408596      9.38988319    -12.34983318
  H     16.37354538      7.81685591    -14.57010420
  H     16.40533869      3.75706582    -13.73477118
  O     12.88652695      4.93643782    -14.55083320
  H     10.62069078      2.48561671    -13.35243700
  H     17.82178920      4.38487827    -13.55702787
  O     13.13811622      6.89501324    -16.47940311
  H     11.73862238      2.96527352    -12.39643589
  H     17.67157493      7.23868232    -10.70871459
  O     15.35154842      9.16057841    -10.36230435
  H     13.09833703      1.73617665    -13.52333473
  H     16.98470820      7.46076712    -12.07669310
  O     17.02119709      4.12639603    -13.08506877
  H     14.50219205      1.94454435    -14.10821898
  H     17.00745030      5.19540954     -9.64016631
  O     17.62061450      7.84998594    -11.45822933
  H     14.45177999      4.00823719    -14.93946943
  H     16.57741082      6.46396314     -8.88634149
  O     17.32231877      6.05969146     -9.34741506
  H     15.77803282      3.76086293    -15.73463702
  H     16.47237912      3.88528592    -11.39703994
  O     16.06086391      3.77831623    -10.52706190
  H     13.36525988      6.20954693    -11.53786723
  H     15.65400843      2.90326266    -10.52789923
          69
 Energy    -248.18501775529882     
  O     -3.15045254     -1.36256922      0.70283300
  H     -3.86118560     -0.72909958      0.52949508
  H      2.46648122      0.50791847      3.66511714
  O     -1.13186694      2.73746416      0.69362637
  H     -2.59103996     -1.38881855     -0.08628624
  H      0.22258393     -2.57928765      1.18846725
  O     -0.69597250      0.28995166      4.79270839
  H     -1.92875107      2.91164016      0.18193590
  H     -0.81209117     -3.63393486      1.60215026
  O      2.74449973     -3.53141037      1.36362871
  H     -1.33001836      1.96667569      1.24848144
  H     -0.75125989      0.02496339      1.95564634
  O     -1.49328612     -1.43156023     -1.57675194
  H      0.06498664      0.88149874      4.77453204
  H     -2.26756069     -0.08424800      1.73130684
  O     -4.88258027      0.73767249      0.28406765
  H     -1.15718626      0.43901826      3.95549397
  H     -0.67612984     -3.99203690     -0.59206606
  O     -1.73217725      1.22509098     -2.49215266
  H      1.81553121     -3.73777548      1.19203964
  H     -0.70770147     -4.93170245     -1.80929779
  O      0.75625388      2.03226016     -1.27138701
  H      2.77329558     -3.30926240      2.30191595
  H     -3.10277435     -3.79412200      2.81762539
  O      3.63638949     -1.88481163     -0.62684011
  H     -1.50553866     -2.39012130     -1.70594107
  H     -2.70054673     -2.59630118      1.93229302
  O      1.16548500     -0.68981046     -1.29124502
  H     -0.55618295     -1.20049475     -1.49453340
  H      1.89036952      3.26400787      1.44591499
  O      0.67838739     -0.82262216      1.42473434
  H     -5.55636132      1.15151073      0.81883705
  H      0.36739378      3.25573406      1.69337336
  O      2.84037016     -0.18442605      3.10397937
  H     -4.41897246      1.45953295     -0.16557544
  H      2.73020334     -3.22107850      4.87638605
  O     -0.03459065     -3.50304660      1.04573902
  H     -1.76059991      0.27978871     -2.28990732
  H      1.44144062     -2.67653855      4.21928290
  O     -1.59498071      0.46616259      2.14794006
  H     -0.82999643      1.51460115     -2.31013542
  H     -0.98818748     -2.69716417      3.88469382
  O     -1.11506404     -4.15094841     -1.44345329
  H      0.10328511      2.24913545     -0.58952117
  H     -0.41855378     -1.48778632      4.65785835
  O     -2.36234932     -3.24464170      2.57285478
  H      1.58368994      2.43620011     -0.98114564
  H      1.46193472      2.46899168      3.63681749
  O      1.22223507      3.30766468      2.14009710
  H      3.35390363     -2.47881670      0.09115549
  H      1.92678691      2.55834154      5.10884364
  O      2.40831730     -2.74805580      4.11394102
  H      4.26859326     -2.37180592     -1.14891606
  H      4.03301057     -0.24129137      0.22893657
  O     -0.25213114     -2.41708370      4.43684912
  H      1.18793062      0.27579576     -1.36384724
  H      3.74381968      0.34207810      1.62369758
  O      1.62689554      1.94604988      4.44228833
  H      2.06316664     -1.03597816     -1.22381859
  H     -2.85716430      2.19723678     -1.61990698
  O      4.05608828      0.57671877      0.73791742
  H      1.44909920     -0.59860188      1.95963796
  H     -3.73886670      3.46708215     -1.56994075
  O     -3.41293512      2.74702148     -1.03653118
  H      0.90210660     -0.68424503      0.49540987
  H      3.80212147      3.55132206     -0.24539708
  O      3.08175524      2.96904282     -0.02071429
  H      2.77966480     -1.02693234      3.57267255
  H      3.47772277      2.11689133      0.23849033
          69
 Energy    -248.18499532783119     
  O     14.48602083     10.09953484    -10.76782876
  H     14.40674536     10.54123883    -11.62512241
  H     12.35870869      7.81394233    -10.63212270
  O     13.29372639     10.14569187    -16.75629650
  H     15.34544082     10.32071573    -10.38772716
  H     18.54424429      7.57188135    -13.29531644
  O     16.98641318     10.39777007    -14.08214123
  H     13.35712231     11.04278806    -16.40586645
  H     18.11147237      7.19982706    -14.71902456
  O     12.92207505      4.91538318    -12.49835596
  H     12.99422205      9.59558135    -16.02116767
  H     14.86806034     12.53822775    -15.86634198
  O     16.91554830      7.93328404     -8.47357042
  H     17.44495221     10.00606645    -13.33063992
  H     13.73274621     13.57853341    -15.69698628
  O     16.45563721     11.98105297    -16.36953758
  H     16.06591754     10.52832631    -13.81185009
  H     13.56479820      8.01048713    -14.57745854
  O     15.40912218      7.75432079    -12.03689446
  H     13.53908250      4.98413112    -11.75403713
  H     12.32259320      8.25784793    -13.69414095
  O     14.29379756     10.85530199    -13.41903894
  H     13.45730886      4.55158800    -13.21115833
  H     15.58398055      9.63325020    -18.90842080
  O     17.94133571      8.84632171    -11.90650538
  H     16.07481121      7.49662138     -8.29447004
  H     14.80712061      9.79991292    -17.58091259
  O     17.19317539      4.83623234    -12.37943122
  H     17.44895856      7.30618207     -8.98321933
  H     10.63038353      7.06517414    -12.26338897
  O     15.07928119      4.24245521    -14.28964606
  H     16.32605748     11.27814125    -17.01858222
  H     12.01354754      6.39132606    -12.41281506
  O     12.81780043      8.08869588     -9.83034635
  H     16.83749099     11.55262183    -15.59165686
  H     13.98324259      6.27906126     -7.48047575
  O     18.44546626      6.82395219    -13.89566735
  H     15.21698767      6.95108577    -11.53651310
  H     13.81135468      7.11170847     -8.77506156
  O     13.96018610     12.66702519    -15.53693749
  H     14.97995372      8.49014329    -11.58402719
  H     15.84685594      5.07804335    -11.01123859
  O     12.86820024      8.65518871    -14.38348100
  H     13.77796407     10.09500484    -13.72571021
  H     14.98438261      5.59326684     -9.78178498
  O     15.69718223      9.70266655    -17.96428798
  H     14.10917818     11.58124880    -14.02751020
  H     18.12981210      5.72874098    -10.91446650
  O     11.56572230      7.25007870    -12.30441152
  H     17.09479382      8.37376678    -11.98586365
  H     18.49993860      7.21091481    -10.82928465
  O     14.44505689      6.58235657     -8.25731278
  H     17.83563347      9.44262388    -11.15406195
  H     15.72042235      7.37660839    -15.17899931
  O     14.96412663      5.32409725    -10.70737744
  H     16.53074840      4.44034626    -12.95769346
  H     15.19914311      7.22107665    -13.72087040
  O     18.38581582      6.41918830    -10.29158754
  H     17.66578917      5.47148592    -12.93986681
  H     17.02378576      9.49146038     -9.16130615
  O     15.03317524      6.96163762    -14.64144243
  H     15.16259873      3.76824180    -15.11323723
  H     17.49601217     10.96678925     -9.09296074
  O     17.09340603     10.32295650     -9.66885001
  H     15.06200807      5.18917710    -14.51320287
  H     16.68437796      8.67726734    -16.74788628
  O     17.05639978      8.31540046    -15.93410894
  H     13.28393221      8.90673116    -10.05363235
  H     17.07881796      9.05325784    -15.30610427
          69
 Energy    -248.18479347514059     
  O     11.06725061      9.83962345    -15.85680558
  H     10.43332683     10.13483132    -16.50500227
  H     14.24814819      4.43198277    -14.74019177
  O     15.16366217      6.45134863    -12.58050392
  H     11.93666270     10.16935883    -16.14751881
  H     16.00428919      9.83246170    -18.89389866
  O     17.10596156     10.58963306    -12.51283728
  H     14.94520421      7.04666574    -13.31834064
  H     16.36075440      9.53750040    -17.41836085
  O     17.60040823      9.54166431    -16.22396568
  H     15.10680655      5.55774111    -12.93755643
  H     14.54101392      9.02761773    -14.47529836
  O     11.72721201      7.34887640    -14.78845500
  H     17.26648820      9.64083267    -12.43620525
  H     13.46029616      7.89995231    -14.64593916
  O     15.46458198     11.16668928    -10.36805899
  H     16.62164353     10.86389195    -11.72072710
  H     10.76489272     10.23221434    -13.99497459
  O     13.47742470      7.92141532    -10.94891439
  H     17.95980297      8.78035508    -15.75681892
  H     10.60606246      9.39586337    -12.70823388
  O     14.76703297     10.78840713    -14.07834860
  H     17.92804850     10.32330445    -15.75809194
  H     17.76368702      7.95890556    -10.51612153
  O     16.97187664      5.41772502    -15.68737380
  H     11.39956835      8.14819587    -15.22355048
  H     18.57332658      8.48905518     -9.32333428
  O     15.17080984      8.70749304     -8.84480691
  H     11.39910813      7.35411612    -13.88038747
  H     10.39797990      7.07796689    -11.51403488
  O     18.69213511      7.28511051    -14.78079424
  H     14.60858099     11.19469708    -10.81795769
  H     11.82419211      7.66450337    -11.60522673
  O     14.92409883      4.11352878    -14.11472855
  H     15.39845637     10.43279969     -9.74716480
  H     18.07222268     11.35540269    -13.81338283
  O     15.64303381      9.49641840    -18.07831872
  H     14.05439371      7.35004613    -11.47641064
  H     18.40067046     12.61193106    -14.63332778
  O     14.40885419      8.07746406    -14.57984987
  H     13.97419760      8.15492935    -10.15454709
  H     18.04638161      7.63978560    -13.10613902
  O     10.68333416     10.30046415    -13.03552326
  H     15.64960512     10.78088738    -13.68891379
  H     16.74762980      7.28318283    -12.33868500
  O     17.73358666      8.09993936     -9.55622221
  H     14.14753420     10.82877334    -13.33560365
  H     14.89114335      7.34847913    -16.14913786
  O     10.98010468      7.58024217    -12.07887208
  H     16.38534360      5.89345590    -16.29307464
  H     15.23012031      7.70371024    -17.59881318
  O     18.47250382     11.66056183    -14.64405107
  H     16.39544965      4.88107315    -15.13271162
  H     13.27811230      9.70058922    -11.57325052
  O     17.55743675      7.81115009    -12.29102210
  H     16.08481737      8.44551392     -9.05135785
  H     12.24567751     10.66687738    -12.21083078
  O     15.06274135      6.95291891    -17.01918889
  H     15.08193565      8.66844257     -7.89584663
  H     14.18188567     10.30897573    -17.15139007
  O     13.14203127     10.61630882    -11.85002072
  H     19.57938431      7.05940339    -15.04839097
  H     13.99795680     10.91482846    -15.74608837
  O     13.52775448     10.70853349    -16.56645179
  H     18.11106433      6.57202425    -15.10203391
  H     13.74143561      5.68098597    -16.49975876
  O     13.16987543      5.18076135    -15.90124548
  H     14.80126431      3.17161564    -14.03516599
  H     12.53717977      5.82257878    -15.55306863
          69
 Energy    -248.18476790794895     
  O     -5.84966931     -0.25963994      0.06884745
  H     -5.48709754      0.58952253      0.36362027
  H      1.14723342      1.90840760      3.97469757
  O     -6.28238538      3.66726896     -2.63061022
  H     -5.75076824     -0.85534031      0.82200813
  H     -1.64353207      3.93152549      1.95572288
  O     -5.09751047     -1.81561330      2.31865333
  H     -6.50199545      2.72345490     -2.54783288
  H     -0.89478026      3.22780894      3.10237963
  O      0.67411458     -1.05771171     -0.22355062
  H     -7.09018542      4.10603392     -2.88148296
  H     -4.59833894      2.36849323      1.82720937
  O     -1.58802299     -0.29954193     -1.68919680
  H     -4.65572833     -1.15262841      2.87840489
  H     -3.68202583      1.56093589      0.88554679
  O     -4.01536456     -1.65664919     -1.50357397
  H     -5.62821649     -2.35310404      2.90117554
  H      1.21712505      1.76653119      1.42281236
  O     -2.69909606      1.75385292     -3.24106199
  H      1.03627339     -0.20044196      0.04425173
  H      1.33247948      2.23068276     -0.04955569
  O     -3.88462747      3.43626537     -1.35309261
  H     -0.01658154     -0.86619686     -0.87096621
  H     -2.29438009      3.85229045     -0.47721065
  O      0.84700809      3.60758496     -1.32946714
  H     -2.37391669     -0.85802369     -1.61349901
  H     -0.72689196      3.84194297     -0.41476536
  O     -0.03743563      2.37924337     -3.60015684
  H     -1.84064989      0.43855401     -2.25767891
  H     -4.66420466     -0.89726586     -4.60543532
  O     -0.41133532     -2.58301345      1.70602674
  H     -4.67061228     -1.13606847     -1.01681581
  H     -4.34338787     -0.91632588     -3.09354826
  O      0.53590776      1.98181552      3.24570062
  H     -3.65114012     -2.28046979     -0.85726231
  H     -0.84216901     -1.06110808      2.66622352
  O     -1.68591269      3.74271396      2.90345516
  H     -3.36698323      1.13995569     -3.56937286
  H     -1.44597628      0.26439827      2.14117414
  O     -4.54912922      1.99427928      0.94020907
  H     -3.13222487      2.34749284     -2.61110518
  H     -2.18075540     -2.88621083      1.03838545
  O      1.49891574      1.48962602      0.54351708
  H     -4.68469699      3.68524509     -1.83842784
  H     -3.68945765     -2.64645936      1.30483539
  O     -1.53226292      3.79696474      0.11547129
  H     -4.19147175      2.97320578     -0.56023609
  H     -1.78514761      0.57333507     -0.10754922
  O     -4.53972963     -0.33264371     -3.84649918
  H      1.46911883      4.28889168     -1.57238999
  H     -1.69695367      1.99454141      0.53023117
  O     -1.12244917     -0.18018264      2.94313316
  H      0.57070285      3.17469871     -2.15517926
  H     -3.26122480      3.19307742      3.39120010
  O     -3.06031665     -2.98941958      0.65739431
  H      0.33985661      1.62571206     -4.04948554
  H     -4.56132646      3.46155472      4.18477193
  O     -1.98632576      1.08538209      0.68556491
  H     -0.99634469      2.23198347     -3.59117317
  H     -6.03596438      0.52278353     -2.97663283
  O     -4.15051586      2.84509613      3.58498958
  H      0.02896596     -2.07646569      0.99775187
  H     -6.56781791      0.51106553     -1.53222503
  O     -6.66285154      0.95465439     -2.38440076
  H      0.15021529     -3.32832944      1.90011977
  H     -2.83146989     -0.08820931      3.66852631
  O     -3.77971460      0.01168189      3.82762016
  H      0.00375934      1.16776862      3.24480415
  H     -3.95189258      0.96037329      3.83193990
          69
 Energy    -248.18467964486322     
  O     14.55496606      9.69765067    -10.49688996
  H     14.36061276     10.19367059    -11.30582714
  H     11.60630655      8.19877316     -9.31278461
  O     13.18517834     10.40335836    -16.41904027
  H     13.74727795      9.25193445    -10.21658216
  H     18.36120489      7.79196443    -15.02946545
  O     16.97041455     10.38259745    -13.74760095
  H     13.24845939     11.24392245    -15.94795745
  H     18.94987025      7.95329388    -13.61227106
  O     13.36899834      5.15697400    -12.94767915
  H     12.98241713      9.73661075    -15.75119286
  H     14.76571509     12.67770819    -15.25202206
  O     17.16207902      7.32966114     -8.24985904
  H     17.52709472      9.95608451    -13.08581396
  H     13.62723006     13.68031390    -14.93891261
  O     16.35410992     12.22125305    -15.82205848
  H     16.08367667     10.47872833    -13.37410183
  H     13.70578877      7.94353244    -14.40725092
  O     15.82642510      7.61011298    -11.89315163
  H     13.96911433      4.94023651    -12.21992309
  H     12.39004196      8.14337959    -13.62118624
  O     14.25519688     10.74019805    -13.00860425
  H     13.92698700      5.53094937    -13.64049008
  H     15.46110175     10.22107242    -18.66770959
  O     18.41428969      8.79531689    -11.85818823
  H     17.37955502      7.17498239     -7.33379297
  H     14.68110591     10.23342138    -17.32994448
  O     17.52981406      5.06810397    -13.94364041
  H     16.23501602      7.05975476     -8.36303082
  H     12.15480615      6.29153201    -12.51825492
  O     17.83554158      3.98068768    -11.50025829
  H     16.23208172     11.61247288    -16.56137708
  H     10.66258665      6.70019182    -12.54288442
  O     12.37925513      8.02922431     -9.84731200
  H     16.76636408     11.70553711    -15.11617804
  H     14.76251177      5.82562863     -9.38240989
  O     18.96158157      7.38574918    -14.39043244
  H     16.75476134      7.87284010    -11.88350800
  H     13.82655523      6.98655819     -8.99746999
  O     13.85642914     12.75578878    -14.90973935
  H     15.35318702      8.27168223    -11.37366698
  H     16.12148458      4.52754389    -11.04398114
  O     12.99445030      8.57567489    -14.23466788
  H     14.06119657     11.52228093    -13.53957891
  H     15.53300154      5.94336037    -11.23638220
  O     15.57236237     10.20185986    -17.72114493
  H     13.80395372      9.99517820    -13.43058732
  H     18.52118086      5.60774897    -10.76627602
  O     11.53383096      7.01606146    -12.31596834
  H     18.73015784      7.96800799    -11.45781522
  H     18.25167621      6.68293987     -9.68352210
  O     14.59201815      6.48747873     -8.69619169
  H     18.10254584      9.32886223    -11.10893344
  H     15.40443644      7.07638235    -13.53356288
  O     15.31082239      5.04262981    -10.95100044
  H     18.15393131      5.79200889    -14.10682446
  H     15.71349875      7.31215452    -15.03935062
  O     18.76503697      6.49516664    -10.47998934
  H     16.67607859      5.40356178    -14.22837232
  H     16.28385464      9.94949114     -9.83024189
  O     15.16445712      6.79455651    -14.43256685
  H     18.30481727      3.15250100    -11.54433278
  H     17.27274447      9.06155358     -9.06489113
  O     17.22407060      9.84081997     -9.63371139
  H     17.75820484      4.31041496    -12.41513914
  H     16.83715832      9.20210108    -15.09997543
  O     16.77590233      8.54430921    -15.80986826
  H     12.06119987      7.67343072    -10.69122679
  H     16.44079245      9.01186652    -16.58358623
          69
 Energy    -248.18446409119124     
  O     15.97122334      9.71324863    -16.17018635
  H     16.59154868      9.79506747    -15.43550471
  H     19.34471990      6.42098185    -17.44395749
  O     13.94012663      4.63691322    -14.69933031
  H     15.10989300      9.55105393    -15.77122623
  H     17.60836679      6.66228030    -15.97481164
  O     17.91255577      5.34105953    -11.74458048
  H     14.74910886      4.14475366    -14.88713584
  H     16.88199518      6.75539391    -14.59252920
  O     19.64545485      4.69990348    -18.10629027
  H     13.83568600      5.23705681    -15.44975921
  H     12.62574790      9.36881381    -14.91930929
  O     17.03334032      4.02027058    -18.24097927
  H     18.79721985      5.37082175    -12.12858664
  H     13.52328148      8.28150043    -14.28453949
  O     13.40649261      5.91792168    -10.60361286
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  H     18.45009399      7.69935568    -17.57848260
  H     16.62291892      8.90681346    -17.69434392
          69
 Energy    -248.18445682777212     
  O     -5.76855510      0.78176915      0.11347275
  H     -5.88336806      0.55590365      1.04464254
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  H     -1.90622759      4.13710029      2.40504381
  O      0.25534325     -1.58851028      0.63941804
  H     -5.07550085      1.01855055      3.09741839
  H     -2.17564740      4.79670655      1.05141741
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  H      0.88299688      1.17807369     -1.26542519
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  H      1.07461185      1.94718649      0.07865791
  O     -3.78265525      2.12269763     -2.76803131
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  H     -0.92244897      6.10515458     -0.73736375
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  H     -3.36785858     -2.50046429     -5.43299451
  H     -1.23410362      4.66965347     -1.21192993
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  H     -5.16692157     -1.91848699     -2.19700534
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  H     -5.00097041     -0.89730176     -0.29794626
  H     -1.34163421     -0.01068073      3.23993391
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  H     -2.98292702     -1.94879862      2.52617842
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  O     -1.11006628      5.22460880     -0.42187646
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  H     -0.81489292      1.08836005      0.09431494
  O     -5.40388526     -1.68380248     -3.10385737
  H      0.28753554      4.16803681      0.36623077
  H     -1.92124288      0.03612298     -0.10170737
  O     -1.54194157      0.90939230      3.03307794
  H      0.56975213      3.53452634      1.73622177
  H     -6.30810617      0.90270081     -1.60251270
  O     -3.89671717     -2.03099753      2.23142797
  H      0.96477945      1.31743044     -3.82200484
  H     -7.26918026      1.30801847     -2.74208046
  O     -1.74387075      0.90215260      0.28731113
  H     -0.39785799      0.87164620     -3.24222003
  H     -3.11870482      1.78335909      3.41360771
  O     -6.39679387      0.96247941     -2.56869331
  H     -0.57238369     -1.77276595      2.17354793
  H     -3.73027859      3.11373760      2.95253335
  O     -3.93715351      2.30095765      3.42401512
  H     -0.72198696     -2.54038414      3.50629187
  H     -2.20805457      3.23790810     -2.84638090
  O     -1.36431307      3.64320005     -2.61334154
  H     -0.16846648      3.56903778      4.25361736
  H     -0.69074545      2.97398882     -2.78379587
          69
 Energy    -248.18430493021896     
  O     17.39952490     10.14993600    -16.70091876
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  H     16.15270502      5.28044775    -12.17415631
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  H     14.46454095     10.90262134    -15.95977241
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  H     14.14636527     11.26510103    -17.42740290
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  H     16.91356017      6.30914652    -17.10157490
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  H     13.74215568     11.46957165    -13.49294639
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  H     20.76841490      4.69634089    -14.66172985
  H     18.55285759     11.27100388    -15.77162305
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  H     18.42271722      5.60443318    -15.23156821
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  O     18.88220213      8.45001462    -18.32734321
  H     16.43400482      4.70209978    -10.76776096
  H     19.43974840      8.53311620    -19.09588789
          69
 Energy    -248.18428870006991     
  O     -1.79900658      3.77219342      3.19294967
  H     -2.54418697      4.30790306      3.49079043
  H     -3.95609658      1.67300646     -0.90321046
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  H     -1.82138105      3.80975542      2.22573550
  H     -7.19259394      4.44102559     -0.08819396
  O     -0.74817336     -0.43504683      2.68477682
  H      1.53452299      4.43487645     -0.27719653
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  O     -5.42946794     -1.09962975     -0.43936028
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  H      1.15320920      1.89102551     -0.13116879
  O     -3.04764264     -2.39335833     -0.21733916
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  H      0.15926442     -0.13832998      2.82389883
  H     -4.50596308      5.73494036      4.37936313
  O     -6.12172988      3.35415846      2.96062661
  H     -5.79817333     -1.08796026      0.45652068
  H     -4.92407128      4.51977330      3.52029762
  O     -2.41503792      1.22220454      4.15380091
  H     -5.60435740     -0.22844298     -0.80838939
  H     -2.28478116      3.18205569      0.05212803
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  O     -6.11508924     -0.79732313      2.22800515
  H     -3.89802172     -1.93263735     -0.32998193
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  H     -3.43342644      4.96409586      0.54010785
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  H      0.09713451      3.59583623      3.08059274
  O     -4.21653941      5.17207710      3.66583690
  H     -2.13628839      2.11861024      3.92080000
  H      1.24180588      2.55971658      2.89524360
  O     -1.87373433      3.99305897      0.38608604
  H     -1.79382535      0.61221095      3.73201539
  H      1.72153213      0.76370424      1.71982917
  O     -4.30746617      5.29713248      0.78588580
  H     -6.06958776      2.35768563     -0.88294750
  H      2.67777704      0.38918776      2.88042496
  O     -4.74597263      0.23863270      5.46538974
  H     -6.14231140      1.78922545     -2.31546771
  H     -7.04646748      0.43049684      3.49318288
  O      0.98803333      3.47560675      2.72723780
  H     -5.78952514     -1.42412059      2.88715847
  H     -6.30096450      0.89748819      4.74557066
  O      1.80395103      0.71982504      2.69055643
  H     -5.46508408     -0.07806442      2.20605103
  H     -1.92266060     -1.89414929      2.76275226
  O     -7.03963274      1.12696546      4.15953877
  H     -4.98280509     -3.18533706      4.63849271
  H     -2.80245980     -2.54283741      1.67280001
  O     -2.65017776     -2.51403332      2.62494142
  H     -4.02287110     -2.44809810      3.67510021
  H     -1.88998793      0.47749070     -0.23257700
  O     -1.25618838     -0.23613129     -0.07237271
  H     -3.56542220      1.54139401      0.58109757
  H     -1.74899143     -1.05522674     -0.20755251
          69
 Energy    -248.18413579646113     
  O     12.35552438      9.90888495    -10.46840869
  H     12.72063607      9.24883085    -11.06931442
  H      9.93655354     11.80797479    -10.04546566
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  H     12.97510235     10.02227557     -9.73690840
  H     10.68353580      8.85289602     -7.15495009
  O     13.93059200     10.54781705     -8.22834727
  H      9.86074279      6.60401721    -13.10923648
  H     10.60240714      7.96221941     -8.40076453
  O     15.04792888      7.69040769    -10.00563478
  H     10.50678130      8.01054701    -13.18759219
  H      9.35906130     10.65157435     -7.57611429
  O     13.93302412     15.16939022    -12.02069846
  H     13.89479315      9.68788503     -7.79208646
  H     10.63455101     11.20965180     -6.93119925
  O     14.12730699     12.39779218    -12.39045355
  H     13.24522150     11.12341320     -7.86244039
  H     13.97865763      7.37563865     -6.67894151
  O     15.25527423     14.49523281     -9.56108486
  H     14.61930931      7.67638353     -9.14273980
  H     12.74869771      7.87266783     -7.47356053
  O      9.97007376      8.53083004    -10.13420654
  H     14.36052166      7.50939252    -10.66171535
  H     15.03579036     11.35737617     -9.34422844
  O     11.76858589     14.84606428    -10.40725027
  H     13.84266373     15.92196872    -12.59840309
  H     16.12273034     11.04995500    -10.39807191
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  H     13.10521554     15.10301529    -11.51094962
  H     12.00351890      9.03527057    -14.46179721
  O     13.15915887     14.87351438     -7.88769555
  H     14.11482505     13.36270002    -12.41161397
  H     11.16533990     10.18393815    -13.85979337
  O     10.78934289     12.17932011    -10.30757977
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  H     10.98270992     12.10278195    -12.35622841
  O     11.03973472      8.04129661     -7.54569444
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  H     12.39624900     11.97493093    -12.92743673
  O      9.97123305     10.51283715     -6.84422160
  H     14.96855251     14.81900847    -10.42383366
  H      7.62059168     10.70528556     -9.55550374
  O     13.72298662      7.87889294     -7.44718895
  H     10.80974410      9.01524843    -10.17072721
  H      8.93665751      9.89659606     -9.66635563
  O     15.55891495     11.75410581    -10.05655350
  H      9.92656508      8.01890773    -10.95087183
  H     14.21467699      7.99389498    -15.32870519
  O     11.11118628      9.27256137    -14.18247542
  H     11.36037706     13.97144261    -10.43336439
  H     14.43627346      9.08145920    -14.25114616
  O     11.46451545     11.81705562    -13.13675336
  H     12.11668143     14.95303989     -9.51320025
  H     17.68804844      9.10815479    -11.00274714
  O      8.55823413     10.74857028     -9.38696619
  H     15.99298534      9.93550397    -12.73844524
  H     16.20780389      8.80253893    -10.67268403
  O     13.81271388      8.40209119    -14.56724494
  H     15.02904992     11.03509288    -13.24246538
  H     13.39800922      7.82115373    -12.86323465
  O     16.80309774      9.45283313    -11.08697309
  H     13.96343752     14.74287937     -8.42210432
  H     12.16077361      7.32225457    -12.09007978
  O     13.07366385      7.61192213    -11.97673213
  H     13.33729605     15.59665734     -7.29279055
  H     11.51242310     12.35782931     -8.55140991
  O     11.92322708     12.38360992     -7.67722874
  H     11.38451475     11.43472222    -10.49288120
  H     12.34547996     13.24946196     -7.60422095
          69
 Energy    -248.18409825890438     
  O     16.65774087     11.82703458    -11.03164168
  H     16.12072910     11.41824753    -11.72611255
  H     15.75386093      7.77787833     -8.60622722
  O     12.91682225     12.05114632    -11.81751008
  H     17.55639768     11.49644438    -11.13998641
  H     19.23432020      6.15009327    -12.97782580
  O     13.07884838      9.33453522     -8.97913456
  H     13.58191790     11.48993538    -12.24131789
  H     18.39118894      5.95546531    -14.25582980
  O     14.17615105      6.79265461     -8.40471034
  H     13.41706636     12.81735279    -11.50067289
  H     19.16021301      8.99431800    -10.33197119
  O     11.92106016     11.91106464     -9.14863717
  H     13.34639103      8.45332870     -8.69492903
  H     18.20601103      8.22007245     -9.39634516
  O     14.69100173     13.89291788    -10.67227705
  H     13.87230553      9.88717289     -8.94337878
  H     13.16283631     12.81207992     -8.31208282
  O     16.17514324      9.69754959    -15.25631844
  H     14.02181284      6.36982486     -9.26893507
  H     13.71188756     13.74946877     -7.20930481
  O     16.72082000      5.13960159    -14.67160307
  H     13.91969005      6.16100757     -7.73847930
  H     12.16018587     10.25080210    -11.80252568
  O     15.00327685     10.48856109    -12.83403506
  H     12.06698453     10.97666280     -8.95355364
  H     12.40833044      9.23310697    -10.68523433
  O     16.02893019      8.20219362    -11.64677472
  H     12.12631646     12.00533835    -10.08929247
  H     17.37313097      8.67060172    -12.77256939
  O     16.39336715      5.39715910    -11.89846806
  H     14.50446729     13.83228344     -9.72750311
  H     18.52664477      8.10472739    -13.65328377
  O     16.46253127      8.38011591     -8.86572122
  H     15.48990203     13.36849500    -10.81089318
  H     19.67284137      5.17046352    -10.63944633
  O     19.12683091      6.46115919    -13.88631419
  H     16.94092912      9.46625554    -14.70286017
  H     19.10673004      6.60807695    -10.67314291
  O     19.04000257      8.15085089     -9.88303604
  H     16.51446884     10.11094980    -16.04577183
  H     15.23638279      8.02812264    -15.06528015
  O     13.97537283     13.21047465     -7.94955875
  H     16.06639970      5.84896776    -14.81116944
  H     14.19031077      7.20532016    -14.25870807
  O     12.10505725      9.31059644    -11.60037651
  H     16.52738030      4.45561391    -15.30641719
  H     11.93177295      6.81511207    -13.41929741
  O     18.05993962      8.91818764    -13.41086898
  H     15.28110654     10.37294585    -13.74972235
  H     12.52521192      7.96034078    -12.57410509
  O     19.08042763      5.74298029    -11.11950413
  H     15.15672999      9.64085637    -12.39126284
  H     13.43038664      6.15432088    -11.57452592
  O     14.93347769      7.13427820    -14.87170958
  H     16.00428700      7.25076620    -11.80501756
  H     14.71648107      5.40569443    -11.17119697
  O     12.75216034      7.14910213    -13.06317243
  H     16.18474214      8.31764878    -10.70099145
  H     18.86771390     10.02540698    -12.26948508
  O     13.84923633      5.68354397    -10.84423041
  H     17.29087704      5.44018961    -11.54430119
  H     19.99132696     10.95973770    -11.76060256
  O     19.16338148     10.55624559    -11.51035880
  H     16.47572180      5.19598181    -12.83972030
  H     15.86008511     11.24872963     -9.51136348
  O     15.41836382     10.92245987     -8.71404421
  H     16.16781827      9.27885746     -8.65827739
  H     15.01075095     11.69186438     -8.29804277
          69
 Energy    -248.18331384900281     
  O     14.34167663      9.81562510    -10.61784275
  H     15.04881872     10.17234114    -10.06540520
  H     13.25323440      8.45199703    -10.11043992
  O     13.32725461     10.28123476    -16.55325117
  H     14.24375512     10.37401271    -11.40149321
  H     18.12707076      7.08836114    -14.58517401
  O     16.80994841     10.61840985    -13.79791274
  H     13.37260901     11.17237084    -16.18498978
  H     18.72337483      7.23014712    -13.18029384
  O     13.43084647      5.24839006    -13.21207918
  H     12.97921812      9.72391695    -15.84566518
  H     14.79589822     12.68020619    -15.57800373
  O     16.86954955      7.74617833     -8.44842451
  H     17.31833538     10.81686455    -12.99941800
  H     13.64407933     13.70117929    -15.41342809
  O     16.38885151     12.16598684    -16.08588203
  H     15.87790700     10.67086013    -13.55091776
  H     13.54165133      8.23767410    -14.36382054
  O     15.83754622      7.76558028    -11.81724669
  H     13.96862672      5.78259849    -13.81238854
  H     12.19011165      8.28974480    -13.61681564
  O     14.07875858     10.96770291    -13.11446895
  H     14.01202619      5.04001006    -12.46775937
  H     14.88823189      9.91834691    -17.29443170
  O     18.58063624      8.19631554    -11.61013915
  H     17.56897535      7.18739569     -8.80528147
  H     15.70426236      9.69971911    -18.58809289
  O     18.11669384     10.91583467    -11.38959953
  H     16.07698898      7.19510476     -8.43173665
  H     10.63419295      6.59893343    -12.48596429
  O     17.98182458      4.68700532    -11.97603384
  H     16.70516106     11.73057619    -15.28071241
  H     12.13654983      6.29483308    -12.69722618
  O     12.83880834      7.59341756     -9.94265249
  H     16.31130419     11.46305351    -16.74197581
  H     14.16483069      5.65549130     -7.84022430
  O     18.51161993      6.57767290    -13.86375516
  H     15.55528748      6.89976156    -11.49672760
  H     13.91111272      6.59046528     -9.04777609
  O     13.88254038     12.79195639    -15.25695036
  H     15.29526964      8.43753399    -11.38556429
  H     16.21224308      4.85709529    -11.30661889
  O     12.75760319      8.78961995    -14.21351010
  H     13.94944176     11.70570518    -13.72228181
  H     15.16609114      5.23476616    -10.18495955
  O     15.79059939      9.81482357    -17.64550040
  H     13.56800176     10.22535678    -13.47078517
  H     18.60444728      5.54112667    -10.46886690
  O     11.50582960      6.97688509    -12.40224319
  H     17.61631969      8.10247327    -11.68890251
  H     19.66221711      5.70606878     -9.35567680
  O     14.58740674      6.04880769     -8.59884854
  H     18.84830852      7.61546302    -10.89061296
  H     15.71027117      7.56826939    -14.98133343
  O     15.29061555      5.08152426    -11.13045062
  H     18.48354240     10.02268213    -11.46611649
  H     15.32354144      7.43361291    -13.50393800
  O     18.87107205      6.09699825     -9.71979974
  H     17.60772242     10.89853529    -10.57151820
  H     16.70539277      9.47064792     -8.79209271
  O     15.01085627      7.24496478    -14.40200263
  H     18.22054297      3.83014622    -12.32091282
  H     16.63339298     10.89291801     -8.19241274
  O     16.55014125     10.40699268     -9.00894173
  H     18.11950511      5.32305751    -12.70162662
  H     16.82621772      8.85626992    -16.38720875
  O     17.18465135      8.48169276    -15.57309819
  H     12.32621755      7.38401702    -10.73170267
  H     17.14430491      9.19359391    -14.91552878
          69
 Energy    -248.18315096411897     
  O     13.44928741      4.41127631    -14.30620882
  H     14.27705787      4.63548626    -14.75371237
  H     13.91242901      5.01765244    -11.44031991
  O     15.30636314     11.58891418    -14.45269623
  H     13.70039785      4.11327387    -13.42476039
  H     12.70890721      9.44686914     -9.94453805
  O     13.54978700      9.44388568     -8.37186583
  H     14.64014012     11.14869324    -14.99292313
  H     12.64307349      8.36649722    -11.02378827
  O     16.89448901     11.21496512    -10.22188982
  H     15.03265809     11.45306922    -13.53492937
  H     18.57689591      4.87724535    -12.97130513
  O     11.84708545      9.17285325    -13.71541010
  H     14.45101004      9.13454962     -8.56726208
  H     20.03432997      4.36641915    -12.95367745
  O     17.95762105     11.33007051    -14.84036261
  H     13.48265459      9.47838955     -7.42194849
  H     12.77276739      9.78798914    -15.05233418
  O     14.62782029     10.85771126    -11.85313948
  H     17.55399458     10.99991343    -10.90589989
  H     12.75029006     10.30577178    -16.50968419
  O     17.24857279      7.11953455    -11.09861519
  H     17.21754721     11.98403003     -9.76018579
  H     12.21770011      5.65237534    -14.15871645
  O     18.55667363      5.80296682    -15.90173694
  H     11.70995079      8.22197306    -13.81317875
  H     10.70614905      5.93880518    -14.02379909
  O     16.78295541      4.80309916    -12.62758205
  H     11.93562672      9.34625548    -12.77123566
  H     15.22360786      8.10711049    -14.34931361
  O     15.91402940      5.36699507    -15.22180572
  H     16.99684939     11.45178157    -14.72771008
  H     14.60369469      8.66293982    -15.65404303
  O     14.29769518      4.12880424    -11.52591813
  H     18.27632445     12.08445659    -15.32811113
  H     13.92478631      7.19323244    -12.00690851
  O     12.48086915      9.30722835    -10.87681155
  H     13.85660480     10.46726195    -11.42138385
  H     12.56414070      6.52241424    -12.34695547
  O     19.48448624      5.08998690    -13.24408736
  H     15.30185132     11.04019038    -11.18547621
  H     16.45585502      9.60178314     -9.37166229
  O     13.33619526     10.04385146    -15.80487626
  H     17.99748989      7.48038501    -11.59380985
  H     16.51273650      8.08801609     -9.63257411
  O     11.56790513      6.32446598    -13.88633010
  H     17.06497340      6.25924115    -11.49823231
  H     18.78998528      8.11510933    -13.72156409
  O     15.24554533      8.02903647    -15.31734649
  H     18.50848516      6.76696762    -15.84852098
  H     19.52768199      6.98635803    -12.96864518
  O     13.20795202      6.65319545    -11.63736443
  H     19.03270368      5.51985344    -15.11246087
  H     15.97156236      7.93137073    -12.07603890
  O     16.11236397      8.75366112     -9.06108817
  H     16.48151328      5.03350864    -13.51948079
  H     15.06937983      9.16910255    -12.37791333
  O     19.22943337      7.89972647    -12.88460646
  H     16.01744509      4.42869878    -12.17506231
  H     19.00914576      9.69746044    -12.31186490
  O     15.23582463      8.24771150    -12.61513977
  H     15.58316476      6.27022968    -15.33562899
  H     18.44918279     10.91620253    -13.06763799
  O     18.64176680     10.58024553    -12.18311190
  H     16.80386213      5.36238750    -15.60151871
  H     18.08563400      9.51370512    -15.26849366
  O     17.99457231      8.55332997    -15.30510835
  H     13.97188549      3.61650969    -10.79041924
  H     17.04506533      8.38257728    -15.37912628
          69
 Energy    -248.18311535956519     
  O     16.52587299     10.88854483    -15.63455718
  H     15.77233926     11.43260410    -15.37110659
  H     20.05210078     12.18914625    -10.64145338
  O     20.53630426     11.79188469    -16.47472512
  H     16.98401650     11.37360704    -16.32940917
  H     19.47562725     18.64839684    -12.46165009
  O     19.64631729     15.36864245    -10.64377617
  H     20.93424663     11.45974543    -17.27617830
  H     19.97258813     18.80246209    -13.90869339
  O     15.23590211     13.32401580    -11.92775571
  H     19.63917925     12.07792845    -16.71246537
  H     21.85254304     13.54701235    -11.95066399
  O     21.67117394     11.73620803    -11.53475141
  H     18.79671196     15.33029400    -11.11101979
  H     21.55222426     14.34148858    -13.23652126
  O     16.93347229     11.23207607    -10.95263779
  H     20.33524125     15.05461299    -11.24837760
  H     17.58698594     10.62614494    -12.59686609
  O     18.07806717     12.82833947    -17.25256418
  H     14.93452032     13.07007913    -12.80750352
  H     17.48480981     10.51356916    -14.16600739
  O     19.82412531     16.32586208    -15.98895617
  H     15.73544450     12.57117963    -11.58564411
  H     19.56608085     15.50080794    -17.60572057
  O     20.25661995     18.04376077    -10.80337365
  H     22.32464366     11.16273760    -11.14292347
  H     19.37682719     15.55735377    -19.12927149
  O     20.99506369     14.05939386    -14.89916922
  H     21.40446270     11.32252798    -12.37507345
  H     22.21487390     18.83520742    -15.23214388
  O     14.59444025     12.79799966    -14.71435067
  H     17.73628443     11.70291351    -10.66456090
  H     21.91065565     17.83390378    -14.09317666
  O     19.23061540     12.50966809    -10.24868141
  H     16.66048325     10.68598840    -10.21962710
  H     17.47250479     16.26229516    -13.50220331
  O     19.18106353     18.84679035    -13.35938555
  H     18.53489952     13.46992084    -17.81717948
  H     18.04375893     17.60542204    -14.00465570
  O     21.73518592     14.44243351    -12.29038120
  H     17.52074091     13.37661290    -16.68295898
  H     22.30080598     16.22455668    -12.41719139
  O     18.09206065     10.50908039    -13.41060597
  H     20.45708498     17.00759778    -15.72564442
  H     21.75330253     17.56262084    -11.88493855
  O     19.42364301     14.95209633    -18.39311255
  H     19.03543948     16.45117086    -15.44292526
  H     20.81183892     10.92370128    -14.74944685
  O     21.55400767     18.22866517    -14.90950313
  H     20.22379055     18.48575515     -9.95882120
  H     19.86821405     10.39430890    -13.65889092
  O     17.62245002     16.78598296    -14.30235639
  H     19.99951871     17.12000446    -10.64428440
  H     18.48543492     12.30041631    -13.63244780
  O     22.34777123     17.18131540    -12.54346038
  H     21.00183922     13.33231167    -15.53340934
  H     19.44681155     13.44640813    -14.09921461
  O     20.79621685     10.60891968    -13.83979204
  H     20.63129182     14.84019778    -15.33912879
  H     17.31476311     13.94107005    -14.83574810
  O     18.56139326     13.25162839    -13.77172526
  H     15.23761325     13.46963269    -14.99950891
  H     16.81862220     15.34650654    -15.21876796
  O     16.69059457     14.41069316    -15.41453787
  H     13.75277534     13.04728250    -15.08895630
  H     16.51843405     14.62504237    -11.93872151
  O     17.36687726     15.05211020    -12.11849441
  H     19.32556735     13.46585767    -10.17910772
  H     17.87296068     14.39338803    -12.62129672
          69
 Energy    -248.18284766722110     
  O     -3.26616318      5.07304836      2.57622967
  H     -3.40310659      4.16859344      2.26625555
  H     -2.20604794     -1.08367050     -1.07928232
  O     -0.68369555      4.03168213     -3.36243456
  H     -3.29363204      5.61994487      1.78148500
  H     -0.48417135      3.79814145      4.40623889
  O     -3.50782248      1.93720860     -1.42106462
  H     -0.02212416      4.50169593     -2.82170901
  H      0.75614715      2.84427670      4.19490714
  O      1.64246102      0.25871822      1.94606912
  H     -0.51824949      4.27149662     -4.27006504
  H     -1.30979952      6.30394866      0.33971873
  O      3.21409359      3.97945893     -0.47064105
  H     -3.88026522      1.05756503     -1.29245886
  H     -0.46843343      5.09668282      0.81712086
  O     -0.61162573      3.38058757      1.40664533
  H     -2.56354988      1.81159351     -1.59945880
  H     -3.45950966      2.48393510      0.35911546
  O     -0.75546881      0.24153261      3.52528808
  H      1.53763410      0.87315456      1.20461893
  H     -3.06232354      1.62171140      1.56344485
  O     -4.14742894     -0.73108217     -0.61691406
  H      1.48557689     -0.61998517      1.57408346
  H     -2.01573055      5.34314426      3.78822575
  O     -2.54794423     -0.17516171      1.55292794
  H      3.15305283      4.20790097      0.47602664
  H     -1.69462886      5.93031651      5.18040007
  O      2.50494336      2.14632731      3.78258554
  H      4.14064869      3.97480128     -0.69283110
  H     -0.73010392      2.35059638     -2.57292801
  O     -3.09847352      4.66429421     -1.95608298
  H     -0.40831102      3.24888636      2.34155004
  H     -0.03578197      1.72479618     -1.34573445
  O     -1.26916716     -0.92940365     -0.91622408
  H     -1.53452116      3.12076971      1.29183284
  H      0.56254347      6.38333923      2.02927617
  O     -0.20492552      2.91420150      4.13625551
  H     -0.72093313      1.13850337      3.88306679
  H      0.25713190      6.09217948      3.50098389
  O     -0.40430581      6.00256684      0.47669422
  H      0.06227200      0.14656175      3.02023958
  H     -3.64808182      7.22822745     -0.20804571
  O     -3.25743678      2.53146385      1.30257530
  H     -3.78266108     -0.58285634      0.27255366
  H     -3.17835354      5.82744198     -0.66193244
  O     -1.30722577      5.46183363      4.44582962
  H     -4.91150651     -1.29150258     -0.50830414
  H      0.57697582      2.58003760      0.42570982
  O     -0.76582113      1.59698553     -1.97015110
  H     -2.00422134     -0.10965167      2.35296105
  H      1.94643529      2.64670483     -0.31461777
  O      0.98259129      6.27666986      2.89418206
  H     -1.93280046     -0.35757517      0.83137070
  H      0.11034592     -1.72280967      0.02071118
  O     -3.15436092      6.46337267      0.07545004
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  H      0.64582621     -2.95512494      0.76457507
  O      1.20530976      2.06461472     -0.10711306
  H      3.12796491      1.78143163      4.40647672
  H      2.31529442      5.13067666      2.46850063
  O      0.79825218     -2.02213343      0.63440605
  H     -3.44360494      3.77039483     -1.83824732
  H      2.86222551      3.70364254      2.74061944
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  H     -2.29191228      4.55866608     -2.47521087
  H      1.86890617      4.91748671     -1.40925635
  O      1.06643485      5.30725462     -1.77472979
  H     -1.03800120     -0.11871560     -1.39256262
  H      0.58050914      5.66908346     -1.01990404
          69
 Energy    -248.18278065246147     
  O     -3.71074536      1.64922285      0.87513317
  H     -2.74255688      1.68643720      0.98085904
  H     -1.67798133     -5.03786846      0.96890427
  O     -3.12378205     -1.94124264      7.13891309
  H     -3.98346777      2.48953944      0.51759208
  H     -0.48603011     -1.46984583      0.89927042
  O     -3.90511948      0.32232444      3.34126170
  H     -3.70988531     -1.30252697      6.71265691
  H      0.23577603     -2.46486465      1.84483165
  O      1.91056979     -2.75708710      4.73085990
  H     -2.24701407     -1.82465082      6.75165599
  H     -3.43448931     -3.35552168      2.10733072
  O     -4.11658442     -4.37203351      6.43799798
  H     -2.95760453      0.17353541      3.48430384
  H     -1.91170211     -3.19386042      1.89424079
  O     -0.71535242     -2.02803673      5.60935547
  H     -3.98326718      0.87653198      2.55597410
  H      2.11044852     -2.90951595      1.08960835
  O      0.67183496     -5.37614399      4.64839288
  H      1.97312676     -2.83461999      3.76508232
  H      1.75052348     -4.17728427      1.92596347
  O     -5.85948184     -2.89467591      4.69124508
  H      2.77454309     -2.49112329      5.03723277
  H     -5.29041440     -2.53404886      2.99598870
  O     -1.03942956      1.54423254      1.30693659
  H     -3.77845211     -3.52824343      6.78997785
  H     -4.45866364     -1.30668416      2.60316061
  O      1.27841083     -5.94488564      2.08406594
  H     -4.34535674     -4.91371924      7.18839606
  H      2.77451694     -2.40723637     -1.33406815
  O     -0.08565875     -3.68598859     -1.49070568
  H     -1.16558382     -2.82024104      5.27738529
  H      1.33576502     -2.88754943     -1.01033766
  O     -1.00849024     -5.45219361      0.40866300
  H      0.22255629     -2.17459429      5.44028399
  H     -1.04926143     -0.63739304      4.43511061
  O     -0.59944643     -2.00488623      1.69409381
  H      1.15684508     -4.57127474      4.86226856
  H     -1.02765463     -0.80607166      2.91552023
  O     -2.60217455     -3.84491847      2.09204453
  H     -0.26599905     -5.14767189      4.72933126
  H     -0.64195704     -0.70246078     -1.11612751
  O      1.90427924     -3.22285297      1.98007485
  H     -5.36253934     -3.52184622      5.22990947
  H      0.82548945     -0.87608243     -0.62708666
  O     -4.79180080     -2.14745094      2.26184956
  H     -5.71903410     -2.03638163      5.11013978
  H     -2.72302935     -1.45363790     -1.33538632
  O      2.07958108     -2.34341634     -0.68487593
  H     -0.57500521      0.98853448      0.66639653
  H     -2.39048441     -1.51309444     -2.84216547
  O     -1.22154882     -0.16132057      3.61353492
  H     -0.93391593      1.12456648      2.16985002
  H     -5.57110660      0.37741676      6.09098909
  O      0.02008703     -0.36020492     -0.49807995
  H      1.74708851     -6.77083198      1.99916712
  H     -4.66774712     -0.01926119      4.90218020
  O     -2.00471427     -1.60691642     -1.97514189
  H      1.04287069     -5.84869369      3.02457370
  H     -2.69494493     -4.51696441      5.25779040
  O     -5.02648262     -0.32820345      5.75085283
  H     -0.43232282     -4.35567179     -0.88188650
  H     -2.21351947     -4.26457269      3.79100721
  O     -1.91605012     -4.38784716      4.70376963
  H     -0.81895503     -3.09744176     -1.70134256
  H     -4.33335988     -1.50862063      0.52990929
  O     -3.92859612     -1.00262684     -0.18505661
  H     -0.28659262     -5.70815361      0.99425786
  H     -3.91821218     -0.08307961      0.10747918
          69
 Energy    -248.18277883591722     
  O     13.02719610     11.22722020     -9.26585174
  H     13.03917188     10.96147372     -8.34984159
  H     16.76909020     13.71135751    -17.77701582
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  H     13.67346055     11.95103698     -9.35428462
  H     13.16192337     13.56335015    -12.52701710
  O     13.03868245      9.45204041    -11.45629336
  H     11.34754734     10.90018969    -16.11048317
  H     13.09981767     14.90937102    -11.79964677
  O     18.30409870     13.08916656    -12.87627942
  H     10.86940791     11.63588368    -14.83140317
  H     12.32522336     13.14666397    -16.77088889
  O     10.96679844     12.87973100    -10.31940463
  H     13.05063057     10.06710846    -10.71105065
  H     11.64963659     13.85107836    -15.57926217
  O     13.43828249     10.12314978    -14.12017430
  H     12.11608527      9.39884384    -11.75312360
  H     14.05857105     11.68920201    -13.57569555
  O     14.66656534     15.67468297    -11.03156032
  H     19.24249619     13.23208207    -12.78835105
  H     15.09883341     12.25596959    -12.56189874
  O     10.52772868      9.64615567    -12.59268988
  H     18.17065230     12.57549244    -13.69446670
  H     17.47124118     12.13477237    -15.83371849
  O     14.88404123     14.23842277    -15.26670412
  H     11.57992158     12.27790057     -9.88287906
  H     17.20979913     10.88265608    -14.96559244
  O     14.99038173     10.68137614    -17.26033041
  H     11.51194313     13.42674878    -10.90247772
  H     12.15499023     11.23982789    -18.49913156
  O     10.63488800     13.27366324    -14.01020190
  H     13.24591279      9.85633765    -13.21062940
  H     13.29307776     11.09524057    -17.46558855
  O     16.49514405     13.07673569    -17.12073026
  H     12.59583431     10.30249476    -14.55575221
  H     14.84467337      9.03578867    -11.68029672
  O     12.54162951     14.23274453    -12.19830457
  H     15.30747874     15.56446422    -11.75597249
  H     16.07368343      8.17899051    -11.33206257
  O     12.32998903     13.96173822    -16.25416954
  H     14.79997372     16.55135313    -10.68121966
  H     15.05516745      9.71978122    -14.65473378
  O     14.41542635     12.50223717    -13.19574382
  H     10.58917048      9.77923105    -13.54637023
  H     16.21520844      9.10993962    -13.90016166
  O     17.79462326     11.64511437    -15.06775561
  H      9.96345118     10.36785953    -12.28816915
  H     16.37702740     10.74995864    -11.53757263
  O     12.37404301     11.39200367    -17.58331920
  H     14.79902612     13.60472262    -14.53764418
  H     17.16544397     12.08225028    -11.84584619
  O     15.80171632      8.95297473    -11.82072217
  H     13.99935325     14.30373659    -15.65478440
  H      8.17464807     12.16899172    -11.64970311
  O     15.99611599      9.49823465    -14.75180044
  H     15.40323348     10.12254881    -16.59459857
  H      9.67858095     12.33830729    -11.31931863
  O     16.40410318     11.70221393    -11.38734728
  H     15.53027891     11.48182307    -17.30676124
  H     17.07975766     14.58522827    -13.02479910
  O      9.05059256     12.02476726    -11.99645886
  H      9.95319924     12.91960915    -13.42478107
  H     15.92754074     15.09299295    -13.92136500
  O     16.40187328     15.26731743    -13.09777052
  H     11.27174606     13.71073500    -13.42664321
  H     14.78177424     14.04142631    -10.01107934
  O     14.86641840     13.16870499     -9.61125156
  H     15.92996525     13.55093190    -16.48535029
  H     15.50920374     12.68402764    -10.14929094
          69
 Energy    -248.18269464480306     
  O     13.17552965     12.82884608    -13.51882088
  H     12.73951561     12.08236526    -13.94764100
  H     14.51495636      6.48434080    -14.46396195
  O     17.65562128      7.05450945    -14.39490305
  H     13.56601732     13.34173179    -14.23632911
  H     16.53460032     10.72809010    -14.92578776
  O     19.66324344     11.37806812    -13.06828647
  H     17.02173789      6.41350233    -14.05100453
  H     17.57015656     11.25814262    -15.93057040
  O     16.89520407     14.32050520    -14.71547482
  H     17.32266695      7.32174482    -15.25937346
  H     14.74392872      8.65763309    -17.91368288
  O     15.53711709      5.43523099    -13.32449171
  H     19.35951914     10.46773830    -12.94378197
  H     13.20879466      8.69607184    -17.77594576
  O     16.45681961     11.08185571     -9.79101512
  H     19.51588979     11.81009333    -12.21959487
  H     17.03305159     10.19522870    -12.92034389
  O     14.94773885      7.23180624    -11.39650560
  H     17.55930788     13.73397092    -15.09839411
  H     16.51422471     11.66600720    -12.83010101
  O     14.33528176     12.76546675    -11.05483776
  H     16.07755134     14.20773945    -15.21505467
  H     13.12406783     10.88616154    -15.67833638
  O     11.97366512      8.07786080    -16.38705093
  H     15.50474111      4.53718152    -13.00812272
  H     12.08174364      9.77505659    -15.47478889
  O     17.11295231      8.46653386    -10.05865004
  H     15.33244248      6.01313793    -12.56587421
  H     18.01971671      8.69414045    -11.70382700
  O     16.15978326      8.09945162    -16.65244597
  H     15.72487772     11.55161288    -10.20515355
  H     18.15164780      8.27654222    -13.20916179
  O     14.10651726      7.24669766    -14.89157390
  H     17.25581850     11.59224299     -9.97633721
  H     14.79882875      9.86804912    -13.03136051
  O     16.76558172     10.73087450    -15.86688612
  H     14.50173526      7.97164912    -11.82986121
  H     13.37429515      9.77217389    -13.62505444
  O     13.94939288      9.09246735    -18.25028977
  H     15.66617723      7.61590691    -10.87896801
  H     15.88462199     13.43424189    -11.80295934
  O     16.31211200     10.79003978    -13.17453187
  H     13.88049971     12.72912648    -11.91497681
  H     16.77294457     13.87319716    -13.03849834
  O     12.47062924     10.54765860    -15.04866294
  H     13.71642533     13.15684496    -10.44328477
  H     19.73945099     12.63225903    -15.96794763
  O     18.32052145      8.98742942    -12.57175473
  H     12.68614162      7.66337058    -15.86987973
  H     19.22741416     12.08036085    -14.61898903
  O     14.00346429      9.31534855    -13.05285532
  H     11.28537112      7.42446706    -16.48080113
  H     18.10505516     13.03198269    -11.17716936
  O     16.78014433     13.46237266    -12.16125834
  H     16.83284394      9.38951655     -9.92387966
  H     19.21005398     13.29926036    -10.12562095
  O     18.94383532     12.43783827    -15.47959258
  H     17.50196079      8.17624671     -9.23774193
  H     14.14514765     10.74946289    -17.55386998
  O     18.77263232     12.60296699    -10.60905548
  H     16.42564772      8.99908661    -16.41216178
  H     15.23799866     11.26412069    -16.58963184
  O     14.35566065     11.46447900    -16.93714596
  H     15.45040495      7.83945423    -16.04739376
  H     13.89116540     14.62155770    -16.45920225
  O     14.32288979     13.97928839    -15.90097913
  H     14.10855411      7.96078978    -14.23645831
  H     14.29193286     13.13120226    -16.37560260
          69
 Energy    -248.18251986158066     
  O      4.92507350      1.20035735      1.85620458
  H      3.97103750      1.21442790      1.71962550
  H      7.55716611     -2.95387237      1.27735825
  O      7.12471824     -5.11836620      4.69480270
  H      5.10919365      0.31695826      2.21751029
  H      7.95890072     -1.15324220      6.45049909
  O     10.16514641     -2.49957521      0.28308198
  H      7.34540812     -5.97510280      5.05289639
  H      8.79871174     -0.39455114      5.39154315
  O      2.60333492     -3.18927230      4.89550507
  H      7.93653478     -4.58441527      4.73528782
  H     10.93696001     -2.86918383      1.96454412
  O      3.30965231     -1.58651984      0.21161385
  H     10.57315329     -2.67286230     -0.56178281
  H     11.91321755     -2.27292253      2.98645420
  O      5.28733737     -1.21660528      3.09447723
  H      9.27388588     -2.88452595      0.24345370
  H      8.31256667     -1.31938447      2.48423365
  O      6.19546780      2.42222867      3.95932664
  H      3.48339324     -3.31973374      5.29384589
  H      8.30944317     -2.52107991      3.48521418
  O      2.28696109     -0.38740544      4.34374668
  H      2.00021049     -3.75090687      5.37492406
  H      6.58240132     -0.25744762     -0.39512842
  O      9.28235608     -3.47079873      4.72042105
  H      3.31956658     -2.29284140      0.87546825
  H      6.25849241      0.89159740      0.57136431
  O      3.64029028     -3.35087554      2.29038105
  H      2.88713293     -0.83423037      0.63886404
  H      1.33170088      0.97128071      1.63560643
  O      5.07520838     -3.54406586      5.92198377
  H      4.69818610     -1.92605569      2.81427292
  H      2.18057459      0.22206168      2.68559709
  O      7.53663089     -3.38801704      0.40808587
  H      6.19408526     -1.54980077      3.04666115
  H      8.46084711      0.22614191      0.95603271
  O      8.81005222     -1.14916116      5.99890672
  H      6.19622753      3.37496610      3.91247057
  H      9.68587369     -0.72216836      1.02918036
  O     11.28561357     -2.98262086      2.85983400
  H      5.74727692      2.10207519      3.15807109
  H      8.97831070      0.75915862      3.23630052
  O      7.80871211     -2.08708351      2.78600362
  H      2.29951302     -1.33349370      4.53518452
  H      7.88786995      1.46774589      4.07038596
  O      6.97327303      0.50397665      0.05043988
  H      3.05022703     -0.02100749      4.80754174
  H      6.44811149     -4.65341837      1.47296441
  O      2.18836071      0.57836026      1.77955330
  H     10.06007511     -3.39013869      4.15224708
  H      6.31772017     -5.05172262      2.96421612
  O      9.20915136     -0.04167726      1.51590891
  H      9.21473818     -2.67209593      5.27063914
  H      6.00542202     -0.95624596      8.06325116
  O      8.68439777      0.93007020      4.13987824
  H      4.34567536     -4.01442094      2.24122110
  H      5.69707437     -0.62755391      6.58399123
  O      5.83008684     -4.98608877      2.13367368
  H      3.19501655     -3.43580031      3.14131078
  H      5.51242798     -1.91430767     -1.97429561
  O      6.18335070     -1.23414415      7.16794315
  H      5.76740065     -4.08053066      5.51832621
  H      4.83306147     -1.71204800     -0.60465583
  O      5.69689986     -1.80524786     -1.04472696
  H      5.51532461     -2.82766551      6.39481775
  H      5.29841347      1.13282969      5.04132393
  O      4.88459205      0.30775375      5.32063066
  H      6.89421781     -2.90391634     -0.12725811
  H      5.01394805     -0.31353989      4.58335993
          69
 Energy    -248.18242066788719     
  O     19.70656710     10.64794274     -8.49890363
  H     20.35705284     10.27028190     -9.11785477
  H     16.58156868      9.94166711     -9.07774940
  O     17.94039476      5.58414188     -9.73642112
  H     20.11974301     11.40734603     -8.09563228
  H     21.71728532      8.57475829     -9.66789220
  O     16.95062231      4.92956450    -13.11122272
  H     17.13440414      5.14813161    -10.04065199
  H     21.09480103      9.07362018    -10.97095218
  O     16.51056512      7.69763093    -13.50445795
  H     17.90762219      6.47288435    -10.12695924
  H     15.12352159     10.03303658    -12.56006049
  O     15.42022095      4.87836799    -10.70046755
  H     16.77472386      5.84425764    -13.36645750
  H     13.68211523      9.83952788    -13.09529787
  O     18.61198541      9.55942972    -13.95796482
  H     16.37786221      4.75543281    -12.35446770
  H     19.68603206      3.49295640    -13.82005594
  O     21.75770427      6.82984999     -8.93363653
  H     17.18009536      8.30721800    -13.84137394
  H     18.65415608      4.44192000    -13.18966969
  O     15.04066000      5.55973930     -6.45844726
  H     15.69613825      8.20336319    -13.39026241
  H     12.81253800      5.50684249     -8.75589463
  O     20.14017348      8.03600272    -12.23483857
  H     15.08121447      5.78457532    -10.73669564
  H     12.99510170      6.79757555     -9.57045638
  O     17.73947338      8.00666541    -10.96996920
  H     14.93422875      4.44213696     -9.98988554
  H     14.81874616      8.55114687     -7.68815703
  O     19.81046467      8.07394737     -7.17438751
  H     19.26608560      9.04748340    -13.45399394
  H     16.25573700      8.01750312     -7.91752913
  O     17.18278379     10.40314879     -9.68043645
  H     19.06379284      9.89221132    -14.72971177
  H     14.33337121      8.16358623    -11.25799251
  O     21.45807834      9.38209438    -10.13148325
  H     21.35593524      6.30349986     -9.64514280
  H     14.88187039      7.92686109     -9.81825078
  O     14.40898488      9.38195808    -12.68185716
  H     22.48595339      6.31492070     -8.59472396
  H     18.23484345      7.22755059     -7.09730486
  O     19.60014671      4.21532213    -13.20432245
  H     15.92851866      5.90966394     -6.61754511
  H     17.60440972      6.22879524     -8.09006389
  O     12.46143353      6.39895762     -8.86891819
  H     14.46693044      6.33022469     -6.37454368
  H     12.91431886      7.37663532     -7.47983666
  O     15.59849411      8.64804332     -8.24840949
  H     19.31110525      8.09184387    -11.73062020
  H     12.63494817      8.23681057     -6.22313940
  O     14.41925621      7.50743753    -10.55714848
  H     20.45060696      7.14221030    -12.05588862
  H     16.81708121     10.92964055    -11.40990549
  O     17.41221171      6.76347515     -7.30659572
  H     17.18530659      7.88829085    -11.75223761
  H     17.33794504     10.62795561    -12.84173507
  O     13.33654238      7.87791672     -6.75905372
  H     17.51320701      8.84415675    -10.54786047
  H     19.61349540      5.41438106    -10.45282859
  O     16.58167037     10.96465780    -12.34841176
  H     20.46623274      7.61251260     -7.71108398
  H     20.30778977      4.94894282    -11.74127903
  O     20.45026059      5.47036556    -10.93790196
  H     19.75711891      8.96886199     -7.52902502
  H     13.74886855      3.15184311     -8.08030388
  O     13.98984837      4.00659720     -8.42695942
  H     18.01920051     10.54998342     -9.21870429
  H     14.40484782      4.49851306     -7.69548399
          69
 Energy    -248.18234933197482     
  O     13.81366687     10.38532736    -16.33043608
  H     13.03323484     10.81575275    -16.66948837
  H     20.08429339      6.07383083    -13.55083437
  O     17.36557128      4.39306057    -13.66841108
  H     13.52961352      9.85019358    -15.56819261
  H     19.07333654     11.98914697    -17.02516015
  O     15.83664902     12.57790288    -10.37262234
  H     18.22310037      4.67869759    -13.32529394
  H     18.54387468     10.54241376    -17.18186485
  O     19.25676822      9.52974812    -14.50236070
  H     16.72487648      5.02452240    -13.32300795
  H     17.77311228      8.52336159    -14.91436628
  O     14.81513182      6.05095930    -17.16939455
  H     14.95588717     12.92028519    -10.24482393
  H     16.53669821      8.33865498    -15.86173167
  O     16.21966438      8.52769712     -9.58964115
  H     15.83392129     12.14109655    -11.24081694
  H     13.07223379      7.85995787    -14.43140894
  O     15.71880588      6.75130481    -13.05388699
  H     19.11575985      9.83715454    -13.59715222
  H     13.43088038      8.89253002    -13.34521815
  O     16.07790763     11.05660209    -12.64896858
  H     19.11857312     10.26494286    -15.11247854
  H     17.22437966      7.02420253    -11.96261329
  O     20.47966457      7.06593459    -14.91547816
  H     14.28251318      5.97230192    -16.36899382
  H     18.71309505      6.66839617    -11.78131664
  O     19.53531676      6.52778856    -17.58273180
  H     15.67197587      5.65861172    -16.95434919
  H     13.03306551      5.25006873    -14.22914669
  O     17.42520873      5.46910295    -16.20931410
  H     16.68720373      9.34166024     -9.36690547
  H     14.28452762      6.12892317    -14.02074968
  O     19.82032361      5.55627746    -12.76885742
  H     16.88242161      7.96513255    -10.00920139
  H     18.20167371     11.34972281     -8.56501669
  O     18.59685548     11.29978825    -16.57060283
  H     16.16287843      7.19590230    -13.79672341
  H     17.08695093     11.60910370     -9.60544687
  O     16.99381019      7.98222169    -15.08878329
  H     15.24808456      7.44136525    -12.56251765
  H     18.45030710     10.36274350    -10.98631496
  O     13.08232138      8.80540595    -14.24109675
  H     16.94416911     10.67280494    -12.46060018
  H     18.39439993      9.00090287    -11.71603297
  O     18.01230397      7.24389704    -11.44932541
  H     16.07372482     11.34629339    -13.57294124
  H     18.78463514      8.26769571    -17.98574173
  O     13.51851144      5.98496119    -14.59800672
  H     20.18180734      7.97529962    -14.77167885
  H     17.38255279      8.92507388    -18.05042890
  O     17.76653538     10.97161817     -9.32448416
  H     20.28980731      6.86887756    -15.83928796
  H     14.95571125      8.76495083    -10.92239202
  O     18.53293293      9.94997520    -11.85460152
  H     18.79767815      6.03081730    -17.18939660
  H     15.02725093      9.68594138    -12.15460180
  O     18.33149047      9.10789027    -18.11645928
  H     19.90253736      5.97514697    -18.26843995
  H     16.87794823     11.61477237    -15.80046570
  O     14.56884979      8.90985122    -11.79758720
  H     17.33294864      6.36400124    -15.84682257
  H     15.34587218     11.33750488    -15.72925363
  O     16.08707561     11.74374731    -15.26427622
  H     17.43985245      4.88814615    -15.43696592
  H     15.28906656      7.74724619    -17.48392017
  O     15.67378846      8.63697756    -17.45992791
  H     20.60004152      5.09813415    -12.46680867
  H     14.97914148      9.25264510    -17.19723774
          69
 Energy    -248.18229689403680     
  O     12.26868584      9.65765569    -12.26782638
  H     11.90937358     10.49291231    -12.56134471
  H     11.87751819      3.19381937    -13.24963937
  O     10.87226064      4.84827374     -9.87157025
  H     11.79312039      8.96786088    -12.76179722
  H     12.87497786      4.60129525    -11.98940908
  O     16.99922553      5.31437865    -13.04325757
  H     10.26144014      5.35879067    -10.41630732
  H     13.44105883      3.23599914    -11.51785495
  O     13.78954224      5.71755093    -16.54770228
  H     11.42860156      4.33710186    -10.47491789
  H     15.86419771      6.32217833    -14.02036363
  O     15.12864580      2.69511024    -11.29713878
  H     16.89403006      4.43067809    -13.41788388
  H     15.11577574      7.70327712    -14.15550184
  O     16.55392011      8.61204209     -9.40458777
  H     16.75468571      5.23897905    -12.10954634
  H     13.92850240      6.38243993    -13.15376636
  O     12.17552337      6.65147332     -8.33708620
  H     14.07551998      6.10489245    -17.37048391
  H     12.46458193      6.67922930    -12.73592278
  O     14.91174627      9.24637677    -13.37966581
  H     14.30141352      6.14888068    -15.84004889
  H     11.38196890      8.06462840     -9.35245768
  O     11.22686559      5.60527873    -15.30954159
  H     15.56077024      2.60201589    -12.15468211
  H     11.47047493      8.99701677    -10.59332078
  O     18.46445501      6.68526572     -9.37552799
  H     15.60419198      3.40091727    -10.83839630
  H     18.18958099      6.70979422    -12.59615658
  O     14.10559431      3.14760475    -15.38727361
  H     16.73038711      9.14375564    -10.19064567
  H     18.74307313      7.14391105    -11.22665226
  O     11.54295229      3.00734833    -14.14377794
  H     15.73657509      8.12690620     -9.58731852
  H     13.68137584      6.84165622     -9.34610817
  O     12.62063175      3.69997213    -11.73889331
  H     12.07161541      6.46606856     -7.40807367
  H     13.98702526      6.81239515    -10.86981826
  O     15.14207025      6.78443929    -14.46689945
  H     11.71069832      5.94528148     -8.82237419
  H     16.82796778      2.01686560    -14.31023177
  O     13.28685074      6.26814019    -12.44165010
  H     14.10027256      9.42023188    -12.89001836
  H     15.54071099      2.86001789    -14.46293097
  O     10.85648338      8.57824506     -9.97871940
  H     15.65442610      9.51102369    -12.82241613
  H     17.16223003      5.43443534     -9.92366633
  O     18.62846523      7.43882553    -12.13907654
  H     12.03979168      5.68466544    -15.82428125
  H     15.64865126      5.65151327    -10.15127666
  O     14.38409132      6.95117118     -9.99864788
  H     11.23277326      4.71115780    -14.94598172
  H     17.77286195      8.96888392    -12.05704126
  O     16.33853405      2.73516381    -13.91845701
  H     19.04039846      6.73801967     -8.61826957
  H     17.84342518     10.51303179    -12.07419447
  O     16.37852819      5.03978673    -10.32493143
  H     17.81374128      7.40635811     -9.28788508
  H      9.75189352      7.47276060    -10.76040061
  O     17.25759044      9.78076734    -11.90068427
  H     13.23448010      2.99694900    -15.00116258
  H      8.33956153      6.93797807    -11.10720558
  O      9.26864431      6.79228080    -11.26498899
  H     14.03303388      3.97047805    -15.88642203
  H     10.28079041      7.20450694    -12.76520586
  O     10.96458493      7.49744063    -13.38127705
  H     10.93858395      2.27401380    -14.06429285
  H     10.97349267      6.88661859    -14.13469810
          69
 Ord_Energy   -248.182281    
 O  -0.314874291       4.03061819      -1.97135162    
 H  -0.201682165       3.14617538      -2.34261703    
 H  -0.236058563       4.63784742      -2.71740127    
 O   -3.47468424       4.40579033      -6.88750601    
 H   -3.78754020       4.89331150      -7.64502859    
 H   -3.99644279       3.58484912      -6.85090017    
 O   -4.57374287       4.97285509      -1.77803576    
 H   -4.14642143       5.14189816      -2.62858176    
 H   -3.85748434       4.81562090      -1.15193808    
 O   -5.98459911       1.39489353     -0.229317576    
 H   -6.41719675       2.08327127     -0.747512162    
 H   -5.03776503       1.57402313     -0.310171455    
 O   -3.25110841       1.77411056     -0.796060264    
 H   -3.30365229       1.95632434      -1.74402058    
 H   -2.88391209       2.57255578     -0.397660941    
 O   -3.13747978     -0.996915579     -0.796815038    
 H   -4.06086636      -1.22858047     -0.638307989    
 H   -3.07650924      -3.37279700E-02 -0.719996035    
 O   -2.82987905      -1.46372747      -3.58513403    
 H   -3.00607753      -1.30367470      -2.64789462    
 H   -1.86806417      -1.54531896      -3.62797928    
 O   -5.93472815      -1.27433610     -0.614036977    
 H   -6.05306816     -0.324400961     -0.428325772    
 H   -6.58616304      -1.74221957      -9.95783135E-02
 O  -0.493185431       1.57058585      -3.33180165    
 H   -1.44214761       1.74877429      -3.31290007    
 H  -0.248923644       1.56233227      -4.26832199    
 O   -2.28574109       4.30737782     -0.146381184    
 H   -1.54298711       4.24852085     -0.774873495    
 H   -1.94861650       4.72809124      0.639707863    
 O    1.26637411      -1.01810801      -5.64136934    
 H   0.874214411      -1.21474493      -4.77499533    
 H    2.05321932      -1.55289865      -5.70333958    
 O   -4.85900116       2.09609461      -6.64718008    
 H   -5.39896727       2.04704976      -5.84627008    
 H   -4.22702408       1.36975610      -6.57005167    
 O  -0.596902192      -2.12006378     -0.666065931    
 H  -0.503450394      -2.75279117       4.11227718E-02
 H   -1.50271082      -1.77740741     -0.603469789    
 O   -2.81689191      0.445721626      -5.63809776    
 H   -2.94437695       1.18355453      -5.02527523    
 H   -2.85863137     -0.338910937      -5.07626152    
 O   -3.23549080       2.33248687      -3.55201554    
 H   -3.11068845       3.27548194      -3.72249579    
 H   -4.17270041       2.13814545      -3.70872140    
 O   -3.12331748       5.05351639      -4.17965317    
 H   -3.33763576       4.93121386      -5.11437321    
 H   -2.21050453       5.36738920      -4.14366961    
 O  -0.195992976       1.27011406      -6.11643267    
 H   -1.09424007      0.908937573      -6.11372948    
 H   0.406296641      0.513103247      -6.09966421    
 O   -3.58083211E-02  -1.20392919      -3.20592904    
 H  -0.146606594     -0.246825486      -3.11163330    
 H   -8.67723227E-02  -1.58314967      -2.31751776    
 O   -6.83043718       3.47440147      -1.96158230    
 H   -6.04390526       4.04221010      -1.86967075    
 H   -7.58967257       4.04976416      -1.92205226    
 O   -5.65054846     -0.820527613      -3.41885900    
 H   -5.82609272      -1.06958771      -2.50297594    
 H   -4.78002214      -1.17589414      -3.63176370    
 O  -0.370241851       5.63510656      -4.29489994    
 H  -0.375051469       5.04394627      -5.07067204    
 H   0.145306140       6.40007782      -4.53436470    
 O   -5.87846088       1.82652760      -4.04883480    
 H   -5.91452837      0.883510232      -3.82147646    
 H   -6.33601236       2.33383846      -3.36885595    
 O  -0.654567420       4.00082779      -6.41188240    
 H   -1.57369113       4.05953550      -6.69785452    
 H  -0.416178346       3.06373763      -6.41260910    
          69
 Energy    -248.18213618628809     
  O     13.25257543     13.79072823    -14.08616314
  H     13.91778185     14.03529248    -14.73917924
  H     14.50698669      6.54893103    -14.84484456
  O     17.63991786      6.49751255    -13.98543050
  H     12.94023861     12.91320060    -14.35021580
  H     16.97625849     10.28270629    -14.77575975
  O     19.53298892     10.83701810    -12.05376178
  H     17.54998980      6.84548286    -14.88049332
  H     18.23057881     10.80435792    -15.50133466
  O     17.54301376     13.76509378    -14.46660091
  H     16.84307974      5.97535674    -13.83164068
  H     16.35360218     11.17841883    -12.74732011
  O     15.07350639      5.24314306    -13.62407334
  H     19.56238581     11.16847929    -12.95804342
  H     16.92302656      9.70798228    -12.70513237
  O     16.12870020     10.18083638     -9.37620844
  H     19.18501369      9.93476453    -12.09579507
  H     13.68779324     11.26290162    -15.43041356
  O     14.56633185      6.85854839    -11.53246301
  H     16.80739310     13.94785464    -15.06143613
  H     13.07964628     10.48357090    -14.24901911
  O     13.78866040     13.53878791    -11.46424335
  H     17.14869858     13.55333937    -13.60805659
  H     17.70153546      8.11777817    -11.28620831
  O     13.29142741      9.30724362    -17.10771397
  H     14.79853448      4.34479962    -13.46464920
  H     18.00707520      7.74551459    -12.76572173
  O     16.69100368      7.61410146     -9.81427682
  H     14.87352228      5.74845788    -12.81459070
  H     16.99940167     12.75048027    -11.31165824
  O     16.98245568      7.74841894    -16.46724591
  H     15.30362480     10.43450138     -9.81612122
  H     15.55931787     13.16378503    -11.77745615
  O     14.41600982      7.36977492    -15.34575542
  H     16.78397478     10.86088236     -9.56361955
  H     18.84103256     12.65167050    -14.66709939
  O     17.42165123     10.29780094    -15.63837284
  H     14.24744607      7.68062933    -11.92145829
  H     20.29602765     12.33435023    -15.09253027
  O     16.30957215     10.30518763    -13.15698729
  H     15.25788791      7.09795630    -10.90268586
  H     18.76438658     12.49334283     -9.45362630
  O     12.87983981     11.16071354    -14.90748289
  H     13.33835670     14.20912291    -10.95793704
  H     18.72351777     11.64964085    -10.75165512
  O     18.07966644      8.45345979    -12.10831324
  H     13.55518401     13.68497654    -12.39893144
  H     14.56972532     10.64397782    -17.07908533
  O     16.43219230     12.88604146    -12.08201186
  H     12.72838358      9.81308738    -16.51035540
  H     15.94111496     11.02188376    -16.43599087
  O     19.49908314     11.93651009    -14.75270003
  H     13.56673313      8.53405883    -16.59742950
  H     13.58802901     10.24655959    -11.53974167
  O     18.17036896     12.08996334    -10.08041166
  H     16.47424580      8.53615766     -9.57933039
  H     13.67462915     11.69830838    -11.01496069
  O     15.09624869     11.38084591    -16.73806837
  H     16.94651371      7.17474207     -9.00825653
  H     15.12584650     14.60162997    -16.92328506
  O     13.79568080     10.77427506    -10.76265468
  H     17.21723431      8.66269627    -16.23504639
  H     15.17456719     13.13258442    -16.44895136
  O     15.24526564     14.05516892    -16.15011097
  H     17.23366046      7.61825250    -17.37806152
  H     13.95029934      8.50209161    -13.93208993
  O     13.87657728      9.12954768    -13.19970129
  H     15.27986090      7.51703846    -15.75505989
  H     14.74039281      9.57324144    -13.14813075
          69
 Energy    -248.18210223989652     
  O     15.21990943      9.32194075    -15.17061782
  H     14.68700786      8.63232554    -15.55621818
  H     17.63216840     10.57421836    -16.51055815
  O     18.83682300     14.80712964    -16.89645999
  H     16.05457449      9.34878110    -15.67302683
  H     18.56734920     10.74677430     -9.67122041
  O     20.11452282      8.95487718    -15.08730319
  H     18.55152957     15.34546649    -17.63050934
  H     18.45372374     12.28071591     -9.71476552
  O     19.46961909     13.69129084    -10.49004331
  H     19.75911673     14.55194076    -17.07426283
  H     21.00053039     18.00689434    -13.17840207
  O     14.88693624     13.51810921    -12.52837075
  H     20.52779613      9.74776336    -14.70592702
  H     20.12965747     16.74038266    -13.22794634
  O     19.94786426      9.42236337    -10.07984744
  H     20.81109342      8.46742040    -15.52123275
  H     20.93604418     10.84516636    -10.69052743
  O     15.56934128     11.16921906    -10.94902718
  H     18.79109185     13.92621244    -11.13837663
  H     20.62028854     12.34217320    -10.92648370
  O     21.63400238     13.89123690    -14.38755427
  H     20.04512783     14.45810937    -10.38647454
  H     16.22679222     10.06055377    -12.11951716
  O     21.32476599     15.82813727    -10.45367307
  H     14.86866330     13.03821756    -13.37595627
  H     16.11012431      9.40828344    -13.54217519
  O     21.02966848     11.22093252    -13.83991888
  H     14.03223501     13.92847359    -12.42853292
  H     22.17748966     13.69963029    -17.59213628
  O     14.95965537     12.16963537    -14.89780251
  H     19.67355272      8.99491636    -10.91098033
  H     21.67007919     14.00682656    -16.16987076
  O     17.61804703      9.61134387    -16.41833591
  H     20.10525406      8.72320841     -9.45117406
  H     19.03241314     15.34194611    -15.10264959
  O     17.94804691     11.47559043     -9.54997465
  H     15.32225219     12.00781723    -11.35208328
  H     18.63667485     15.05563597    -13.61675248
  O     20.63170954     17.31813120    -12.63108989
  H     16.34215999     11.33370769    -10.38642471
  H     22.45240092     14.56226671    -11.37522751
  O     21.25891170     11.64223052    -11.12966248
  H     20.84254960     14.42507086    -14.23789719
  H     22.49804964     13.03588126    -11.56898308
  O     16.71017239      9.57564335    -12.80707349
  H     22.16729544     13.93935643    -13.58032434
  H     19.49912477      8.40580640    -13.31325376
  O     21.45369891     14.09402785    -17.11333224
  H     21.57248125     16.38916158     -9.72319007
  H     18.21619290      8.67219102    -12.50856975
  O     19.30199670     15.47064930    -14.18586026
  H     21.08735185     16.41475214    -11.19210229
  H     17.77411599     10.96548398    -13.32164194
  O     22.83688252     13.86840789    -11.92462327
  H     21.26324064     12.09729423    -14.17228698
  H     19.22422840     11.48528897    -13.62596548
  O     19.12964018      8.35664901    -12.42624095
  H     21.17954393     11.24744435    -12.88321950
  H     17.92376547     13.21379211    -16.45401317
  O     18.29192151     11.72872939    -13.61143705
  H     15.73197107     12.38041821    -15.43875731
  H     17.80171327     12.21782629    -15.26260203
  O     17.47900675     12.41380884    -16.15674748
  H     14.87167777     11.21077941    -14.95363976
  H     16.64748026     14.08141557    -12.44075258
  O     17.60846790     14.10374346    -12.51768824
  H     18.44550221      9.36429171    -15.98916761
  H     17.86395715     13.23257187    -12.86456242
          69
 Energy    -248.18184604406517     
  O     13.82486618      7.27660242    -11.56858848
  H     13.30990103      7.98128198    -11.98710610
  H     13.53149983      7.43709531    -16.52875363
  O     17.33224207      5.30073540    -13.83818844
  H     14.10185986      7.63486584    -10.70841705
  H     19.15416762      9.00775599    -16.74366086
  O     13.24446408     10.82554885    -10.44283043
  H     16.66534188      4.63165121    -13.64708994
  H     18.86599161      8.66157628    -15.26445085
  O     15.40221540     11.74854837    -12.12377783
  H     17.27784314      5.51107367    -14.78344902
  H     14.53692163     11.41952502    -13.64533579
  O     11.22489761      7.56384453    -14.31108624
  H     12.86071866     10.35438483    -11.20083572
  H     14.75566731     10.42611910    -14.80982274
  O     17.88887159      6.40585111    -10.08933026
  H     12.54490553     11.35844360    -10.07217164
  H     16.57046797      6.89648572    -13.21039892
  O     13.41141441      5.66435275    -13.88420642
  H     14.77822297     11.52460389    -11.42367270
  H     15.39124356      7.57257135    -12.44783621
  O     12.49182487      9.41784008    -12.72123873
  H     16.17864983     11.18865502    -11.99082844
  H     14.83116988      5.66944393    -10.87964646
  O     12.25970492     10.95116585    -16.43349793
  H     11.33781990      7.79839066    -15.24091216
  H     15.43470144      4.40778105    -11.50263794
  O     17.03607735      6.13362943    -16.40885157
  H     11.73388623      6.75517923    -14.18516698
  H     20.24115570      5.49568564    -12.49142518
  O     15.92988479      9.19847457    -15.28665464
  H     17.10851064      5.86691929    -10.28166623
  H     18.78800690      5.73708927    -12.96331221
  O     14.33644655      7.10298721    -16.11507772
  H     18.49294558      6.29954657    -10.83218849
  H     14.83438496      2.75778805    -13.47857710
  O     18.50322253      8.61637556    -16.16770300
  H     13.53421747      6.18609434    -13.07966406
  H     14.45507344      4.25651230    -13.53734794
  O     14.09284224     10.99890626    -14.39631440
  H     13.78578338      6.16416071    -14.62587821
  H     17.57736799      9.63809534    -10.82939645
  O     16.16508711      7.74555715    -12.99685787
  H     11.90948803      8.85565337    -13.25239145
  H     17.04749712      9.09401342    -12.17085616
  O     15.54341645      5.03026838    -10.77439173
  H     13.02638591      9.94165226    -13.33382335
  H     18.88807394      9.26621238    -12.97118972
  O     19.51657687      6.11432542    -12.43993365
  H     11.91332362     11.81895521    -16.62402202
  H     19.52534889      7.87642195    -13.16959518
  O     15.14208665      3.63092012    -13.25051542
  H     12.89666881     11.07040495    -15.71009601
  H     17.62944433      7.96033967     -9.42534089
  O     17.50557858      9.84792743    -11.76922460
  H     17.54470755      6.95385325    -16.44711172
  H     17.94303546      9.00868258     -8.32948160
  O     19.38530135      8.72866153    -13.60059110
  H     16.10468867      6.37723592    -16.48372782
  H     11.41015553      8.20039086    -17.78267579
  O     17.44060787      8.87035239     -9.12736158
  H     16.01719697      8.72250364    -14.44446751
  H     12.02723620      9.26082339    -16.84021227
  O     11.92316545      8.30421160    -16.98543233
  H     16.79823282      9.16702261    -15.70437056
  H     15.56465835      8.74309192     -9.21419654
  O     14.62501594      8.58452947     -9.36664398
  H     14.85594317      7.88306803    -15.86999025
  H     14.22047587      9.43695622     -9.57265692
          69
 Energy    -248.18176586274396     
  O     -1.61224139      3.77016043      2.64075679
  H     -1.09825775      2.96069656      2.73809542
  H     -0.75326743      8.34705169      0.78677527
  O     -2.79289214      5.91341846     -0.94266147
  H     -2.25250460      3.61781485      1.92956631
  H      0.31240820      4.06641711     -2.06476840
  O      4.37189494      6.84347324      1.80785785
  H     -1.87473620      5.88727274     -1.25566665
  H      0.09574094      2.64185478     -1.48027548
  O      1.67326489      7.19097879      2.44754538
  H     -2.80533458      6.54006792     -0.20866259
  H      0.95761582      8.33849274     -0.89185797
  O     -0.14439570      5.74748005     -1.54769176
  H      4.16790534      6.76295084      0.85744288
  H      1.48075990      8.82518143     -2.26759193
  O      2.53485537      3.87407678     -0.28935456
  H      5.19586290      7.31738950      1.87526714
  H     -2.32347432     -0.49993364     -2.70858287
  O      0.40610588      5.10112964      1.04925736
  H      1.47979082      6.86550491      3.33637496
  H     -2.10257216      1.02223682     -2.88536023
  O     -2.48484060      7.64692885      1.28054254
  H      2.62651118      7.12040440      2.30726503
  H      1.24777837      2.85843550      3.35229648
  O     -0.93987004      1.71660606     -0.22243040
  H      0.03112502      5.56101333     -0.61006587
  H      2.54153951      3.69298147      3.30902490
  O     -1.66194523      6.35682963      3.53201073
  H      0.37070942      6.53088503     -1.77457981
  H     -3.47337245      4.98967974     -2.37191969
  O     -3.05719862      3.44893045      0.36178055
  H      2.09542265      3.46884940     -1.04454967
  H     -4.23965205      4.89313877     -3.70569431
  O      0.15246945      8.62347465      0.60885281
  H      1.82134720      4.21602192      0.27118769
  H     -2.30410393      3.16943398     -3.63845307
  O      0.54139400      3.13222936     -2.18606057
  H     -0.23403812      4.68275387      1.63412629
  H     -0.83678404      2.72495830     -3.41192043
  O      1.39997072      8.05418057     -1.71329613
  H      0.82982184      5.81579164      1.54323365
  H      0.17809991      0.66650565      2.63905231
  O     -2.34020594      0.33032541     -2.24076879
  H     -3.12108779      8.30417345      1.55335685
  H     -0.13443508      1.55809825      1.42127835
  O      1.72310621      3.55710264      3.81112519
  H     -2.18935410      7.20158500      2.09464849
  H      1.15601696      5.05308403      4.48602930
  O     -3.71671816      4.38445518     -3.08980057
  H     -1.34327557      1.08269084     -0.82964845
  H      1.12029404      5.97782562      5.72451440
  O     -1.68149430      2.44916211     -3.79329496
  H     -1.63349510      2.36079603     -0.01752309
  H      4.18315583      4.94598536      2.14798481
  O      0.12893530      1.57666592      2.35535059
  H     -0.85604540      6.38307624      4.05854429
  H      3.59894129      3.80912380      1.29496185
  O      0.89418260      5.93856253      4.79948343
  H     -1.78227152      5.41743417      3.32626281
  H     -4.37251905      2.79498885     -2.15158458
  O      3.90648368      4.02300107      2.18569024
  H     -3.69067561      2.93484450     -0.15843868
  H     -3.91048533      1.37560877     -1.76523508
  O     -4.51444280      2.08503069     -1.51222314
  H     -2.99237408      4.32109466     -0.04796265
  H      3.26215703      5.55734977     -0.73021511
  O      3.58195731      6.46970281     -0.73781832
  H      0.69204451      8.24796611      1.31953878
  H      2.88539329      7.01006104     -1.12787950
          69
 Energy    -248.18170046680197     
  O     17.27308852     12.95738440    -15.30125297
  H     17.15794967     13.90331835    -15.27226998
  H     17.24008319      4.73590378    -13.33718305
  O     14.90481397      6.48924389    -14.48568611
  H     16.47301627     12.56797417    -14.90574050
  H     20.84631945     10.44989257    -17.20555240
  O     18.75082180      7.28096435    -11.85995234
  H     15.28952163      6.20470375    -13.64796099
  H     19.31642309     10.44298070    -16.99595792
  O     17.94319113      6.39582857    -17.56161216
  H     15.56364215      7.07957375    -14.88212677
  H     16.39519184      8.75090171    -16.19930616
  O     15.40738640      7.07432972    -18.76725186
  H     18.44797372      8.06234099    -12.35126619
  H     17.35800434      7.53822766    -16.14613369
  O     15.20241971      7.78687545    -10.21364817
  H     19.37173055      6.81495863    -12.43115610
  H     15.05569321     11.24386036    -13.49351914
  O     13.29961033      8.70380341    -14.00407708
  H     17.74494874      5.49317483    -17.27547415
  H     14.42157582     11.43065784    -14.89001118
  O     17.75229769      9.33780207    -13.30954854
  H     17.20374264      6.67382740    -18.11462271
  H     13.20332724      9.75551644    -15.35159123
  O     17.19819576      3.86384788    -16.58311208
  H     15.08492020      6.82167865    -19.62831375
  H     12.39251865     10.70949911    -16.26271661
  O     20.11233370      7.33022525    -16.07269808
  H     15.06995019      6.41309710    -18.13582813
  H     21.11185536      5.52414365    -13.73832008
  O     14.70836714      5.20228484    -16.93929242
  H     14.59973572      7.65090232     -9.48691285
  H     20.21387198      6.44296775    -14.59849404
  O     17.83108322      4.38335246    -14.01175877
  H     16.08919183      7.89451550     -9.82724838
  H     15.76174862      6.39993434    -11.46715093
  O     20.15810528     10.10078637    -16.64442343
  H     13.68913155      7.83913053    -14.18931266
  H     17.17021917      6.35268675    -12.05850201
  O     16.83903507      8.13810801    -15.59782345
  H     13.88789912      9.10698860    -13.35149897
  H     18.35950392      8.69177809     -8.99473253
  O     15.04450476     11.82157606    -14.26677499
  H     17.47683260      8.92195345    -14.13962157
  H     18.25524275      7.73107282    -10.19073146
  O     13.27674031     10.40902404    -16.07189054
  H     18.34078998     10.07310546    -13.53004560
  H     17.60401938     11.86093445    -16.79647649
  O     20.23708472      5.90003568    -13.78974305
  H     17.46746461      2.97112300    -16.78084209
  H     17.00808629     10.68997957    -17.60773086
  O     16.29887548      5.93451408    -12.11870262
  H     17.39161130      4.01180597    -15.63966362
  H     16.13176893      9.65877959    -12.59475230
  O     17.79727676      8.02831122     -9.38718435
  H     19.49563891      6.97783295    -16.72762360
  H     15.13969540      9.20297475    -11.50469107
  O     17.81923358     11.19296166    -17.46029391
  H     20.15039452      8.28300721    -16.22292322
  H     18.71104297     11.99888246    -14.52813146
  O     15.23172195      9.79406204    -12.26041274
  H     15.46198253      4.60374452    -16.86475349
  H     19.75609197     10.95496274    -14.97297650
  O     19.35631462     11.36178449    -14.19378141
  H     14.61073467      5.59058461    -16.05805217
  H     14.67897479      9.88071909    -17.13215462
  O     15.51040895      9.60931528    -17.54362376
  H     18.67146671      4.84891269    -13.91261024
  H     15.36081378      8.79271152    -18.03787206
          69
 Energy    -248.18144586449034     
  O     14.33228258      9.61705794    -10.50297630
  H     14.16342537     10.21044271    -11.24894066
  H     13.29517367      8.17064330    -10.07122204
  O     13.01073077     10.50871949    -16.28418437
  H     15.06496330      9.97301566     -9.98701189
  H     18.74484114      7.32761469    -13.73784632
  O     16.70973713     11.00558439    -13.59002711
  H     12.94880470     11.34736473    -15.81057188
  H     18.18042233      7.66515271    -15.12179611
  O     13.81871001      4.72011442    -12.86760701
  H     12.79515565      9.82380331    -15.63851997
  H     14.23048172     12.97443017    -15.07067450
  O     16.84144514      7.68541328     -8.47613729
  H     17.26110503     11.01479408    -12.79991177
  H     12.94517151     13.78610797    -14.77147852
  O     15.87089219     12.74995146    -15.64498560
  H     15.79081242     10.91106642    -13.30261206
  H     12.34074430      8.04248565    -13.58080980
  O     15.87693569      7.80517274    -12.01159334
  H     14.43721543      4.77801648    -12.12685490
  H     13.61934081      8.19314548    -14.42868482
  O     13.97548760     10.87687465    -12.90723872
  H     14.38902203      4.62506487    -13.63505986
  H     15.35956738     10.56360916    -18.44322947
  O     18.61509519      8.17586645    -12.04833657
  H     16.09261823      7.08250351     -8.41500151
  H     14.56213881     10.50397669    -17.11909402
  O     18.28514190     10.90376491    -11.22627191
  H     17.53917215      7.18997351     -8.92910885
  H     10.98963958      6.12939466    -12.57981324
  O     16.51060095      5.09406353    -14.08976765
  H     15.83350039     12.13106757    -16.38527840
  H     12.51250649      5.89002755    -12.67984719
  O     12.90069062      7.29598677     -9.94734149
  H     16.31685147     12.27340180    -14.93137884
  H     14.30659599      5.27249212     -7.95195744
  O     18.51433925      6.93283989    -14.58931687
  H     15.29822815      8.38768858    -11.50699160
  H     14.00943107      6.28721105     -9.08434533
  O     13.32270579     12.91258824    -14.72181379
  H     15.55404518      7.75307498    -12.92012581
  H     15.60703105      5.21233702    -10.21308638
  O     12.82592493      8.66766851    -14.13041050
  H     13.54281245     10.10998400    -13.31252520
  H     15.95713832      6.13047545    -11.39961633
  O     15.45531017     10.59880391    -17.49519902
  H     13.67903402     11.65346902    -13.39706645
  H     18.77760016      6.82176578    -10.74701778
  O     11.83461907      6.56713543    -12.50807579
  H     17.65222725      8.05068435    -12.04504608
  H     17.86580875      5.62486737    -10.42984211
  O     14.71339775      5.76273732     -8.66100166
  H     18.74733529      9.09607327    -11.80153972
  H     15.81438140      8.01098753    -15.11518664
  O     15.98924312      5.20638956    -11.10088234
  H     17.74265056     10.70933963    -10.44556471
  H     15.56542657      6.56606356    -14.58660743
  O     18.56028337      6.17927482    -10.05731703
  H     18.95081898     11.53009026    -10.95091317
  H     16.76023868      9.34158901     -8.82012397
  O     15.15787244      7.43560876    -14.69835316
  H     16.56946795      4.90498326    -13.14859396
  H     16.61222489     10.75834868     -8.21413731
  O     16.67021982     10.28836453     -9.04195554
  H     17.30336680      5.61095670    -14.31093841
  H     16.61555714      9.61503263    -16.40533159
  O     17.06519235      9.17404238    -15.67345873
  H     12.47208547      7.07162328    -10.78094650
  H     17.05157713      9.79503866    -14.93057397
          69
 Energy    -248.18140192699803     
  O     13.72800314      8.81434483     -9.78502855
  H     14.53956453      9.33713653     -9.92419956
  H     19.31140363      6.27481084    -15.63728397
  O     15.73198432      4.73261591    -12.75431941
  H     13.27051754      9.20746891     -9.04700872
  H     16.44460146     10.92193017    -15.12530044
  O     15.25424805     12.19647286    -12.21842256
  H     14.80534881      4.53041281    -12.57993836
  H     16.04946934      9.55128092    -15.71971741
  O     17.59602906     11.44875308    -13.74296923
  H     15.94676947      4.45618228    -13.65634421
  H     15.68255623      6.61458350    -12.83247315
  O     11.18747744      7.90203621    -16.08729935
  H     16.05996782     12.11740250    -12.74360221
  H     14.80100189      7.90199908    -12.75003408
  O     12.56924477      6.41482736    -14.10522943
  H     14.54471406     11.86790864    -12.78554489
  H     15.32952492      5.98280253    -10.06580339
  O     13.53451976     10.84985662    -14.03041851
  H     18.41954689     11.92996246    -13.74102444
  H     14.17733918      7.00101078     -9.88293466
  O     13.72275114     10.11679733    -17.59138287
  H     17.73174648     10.65973298    -13.19008375
  H     17.53409629      4.63794388    -10.07871751
  O     16.38605834      4.27279587    -15.35405291
  H     11.51489412      7.31721681    -15.39212872
  H     16.74515819      5.02178416    -11.35125803
  O     16.41077295      7.80154295    -15.54426032
  H     11.70230317      7.69048624    -16.87606386
  H     12.52940046      3.94037598    -11.53340112
  O     14.37713452      6.07052803    -16.26552471
  H     12.59856736      5.69687044    -13.46300116
  H     13.43778910      5.15269179    -11.21530389
  O     18.57357626      6.15409103    -15.04313088
  H     12.69782092      7.22179198    -13.58326045
  H     16.97649685      8.69485819    -12.39918063
  O     15.78093213     10.48055875    -15.66977892
  H     14.30261595     10.70536619    -14.60167306
  H     18.46436442      8.51720702    -12.12684448
  O     15.68936649      7.57369081    -12.93658041
  H     12.76108207     10.87717442    -14.60757354
  H     18.97454219      6.48160909    -13.12101902
  O     14.37023136      6.06782727    -10.03876790
  H     14.49194174     10.34805584    -17.05558018
  H     18.55272372      6.32588075    -11.64101839
  O     17.20133081      5.38519305    -10.57166541
  H     12.95197813     10.42468286    -17.09816054
  H     12.92981799      7.48074331    -19.17358004
  O     13.05004414      4.62809562    -11.93979773
  H     17.19603452      4.79803699    -15.35552656
  H     13.35806464      8.47498871    -18.06716046
  O     17.77876676      9.19512026    -12.18514803
  H     15.70999051      4.79760388    -15.80474526
  H     16.67987489      9.90498869    -10.75667723
  O     19.14947435      6.80496952    -12.22923550
  H     15.74021021      7.23615271    -15.95115226
  H     15.63195096     11.02481789    -10.88243540
  O     13.06340380      7.56138062    -18.23316298
  H     16.19725884      7.79656601    -14.59709052
  H     10.62650238     11.03381733    -16.04491812
  O     15.90165613     10.27730753    -10.32760820
  H     13.93791291      6.47442947    -17.02472778
  H     11.28808000      9.64090092    -15.90840173
  O     11.46056608     10.59935567    -15.88927282
  H     13.77394311      6.15504747    -15.51362363
  H     13.20696602      8.73540063    -11.56740113
  O     13.14676024      8.58692841    -12.51901730
  H     17.91106819      6.82111369    -15.28711658
  H     13.24905916      9.43542798    -12.97398982
          69
 Ord_Energy   -248.181396    
 O   -3.89140797      -2.37958264       7.31097174    
 H   -3.30847502      -2.81041360       7.96124601    
 H   -3.91213131      -1.45255435       7.53330326    
 O   -8.79246044      -9.51746178       6.25477552    
 H   -9.60673428      -10.0090704       6.19177961    
 H   -9.03184319      -8.57205963       6.24238396    
 O   -4.75533009      -4.96586895       10.3441648    
 H   -5.52970648      -5.21610737       10.8607073    
 H   -5.07598829      -4.79994106       9.44420528    
 O   -2.50931072      -9.42393494       5.65980387    
 H   -3.04380679      -9.51308537       4.86355591    
 H   -3.14094591      -9.36806297       6.39093208    
 O   -6.83554649      -8.99937248       4.22616148    
 H   -6.97658920      -8.04353333       4.19830227    
 H   -7.46093559      -9.33417225       4.87800169    
 O   -4.39541721      -8.87789154       7.62738562    
 H   -4.02323103      -8.41796207       8.39368629    
 H   -5.33409595      -9.01035881       7.81561661    
 O  -0.281803071      -7.94241381       6.15916204    
 H   -1.04784667      -8.51032639       5.95777559    
 H   0.495687425      -8.48015594       6.04108810    
 O   -4.76956701      -6.56849337       6.13740110    
 H   -4.63085604      -7.39315176       6.62037849    
 H   -4.24825335      -6.61671734       5.32780647    
 O   -7.05807686      -8.84364414       8.36686325    
 H   -7.65180159      -9.23120308       7.71310520    
 H   -7.28656960      -7.90440798       8.41959667    
 O   -7.02975130      -6.20547342       4.55843163    
 H   -6.33342505      -6.36819887       5.21250629    
 H   -6.64829922      -5.56841612       3.94413996    
 O   -3.58201051      -6.75017691       3.54771018    
 H   -3.84935260      -7.65752888       3.35513234    
 H   -4.22113562      -6.13928986       3.16093564    
 O   -5.84299707      -8.48001289       10.9043169    
 H   -6.28469515      -8.80459595       10.1076059    
 H   -4.93246031      -8.29437065       10.6457739    
 O   -7.76714945      -6.11412621       8.63931656    
 H   -7.11875963      -5.48913574       8.28475761    
 H   -7.71007872      -6.05076504       9.60025120    
 O   -1.62688708      -5.62594032       5.08978701    
 H  -0.982100725      -6.29810238       5.33960009    
 H   -2.21005440      -6.05849266       4.44677639    
 O   -7.11252022      -6.13166904       11.4153395    
 H   -6.69010067      -7.00628233       11.3364697    
 H   -7.58512592      -6.12625647       12.2430353    
 O   -1.65389049      -6.20941496       7.88997412    
 H   -1.00648499      -6.86616850       7.60477924    
 H   -1.98522747      -5.85564280       7.05440855    
 O   -5.65370369      -4.53962755       7.74333096    
 H   -5.20817089      -3.71003914       7.53759241    
 H   -5.26712799      -5.21599722       7.16601610    
 O   -4.30687714      -9.44081879       3.39761448    
 H   -5.22373152      -9.35745716       3.71650553    
 H   -4.31740332      -10.0934067       2.70265031    
 O   -3.43698931      -7.35442829       9.72527409    
 H   -3.90441847      -6.55957460       10.0181637    
 H   -2.73063636      -7.02784204       9.15102673    
 O   -9.16651917      -6.83188200       6.28460121    
 H   -8.85651779      -6.48988628       7.13332033    
 H   -8.55154324      -6.49042892       5.62079334    
 O   -5.30729342      -4.56837797       3.00703835    
 H   -5.38830948      -3.99239850       2.25169992    
 H   -4.70031643      -4.12707567       3.62957978    
 O   -2.46373177      -3.77197146       9.16396523    
 H   -2.01631069      -4.55507421       8.82032585    
 H   -3.13583946      -4.09944725       9.77636528    
 O   -3.49179482      -3.51961708       4.74196100    
 H   -2.73778057      -4.11036158       4.87028551    
 H   -3.61468244      -3.05429506       5.57736397    
          69
 Energy    -248.18123581701838     
  O     14.70868452     12.40368497    -11.85767253
  H     15.50042283     11.85680810    -11.78013243
  H     14.04655861      6.52976939    -14.99671643
  O     17.84380350      9.44962422     -7.83355268
  H     14.44326551     12.61336652    -10.95364671
  H     11.24525897     10.23421862     -9.62311557
  O     16.59967113      6.05010793    -11.58085189
  H     18.42017630      9.63684808     -8.58431773
  H     11.74751032     11.05024117    -10.83242759
  O     13.27129494      4.88392521    -10.52020808
  H     16.99821995      9.87385932     -8.03621255
  H     14.88914199      8.83183177    -15.88879978
  O     18.90305876      6.94944492    -10.24398678
  H     16.11335441      5.38161066    -12.07892489
  H     15.53381686      8.19882235    -14.64736805
  O     17.68437571      6.75478433     -7.63995523
  H     16.16717560      6.10626285    -10.71627373
  H     19.20429676      8.66994218    -10.35965814
  O     16.77623150     10.49455024    -11.23212833
  H     13.73517617      4.59834500    -11.31687731
  H     20.19978459      9.84369115    -10.51678828
  O     13.67931673     12.61333604     -9.14837455
  H     13.95720675      5.19450910     -9.91554891
  H     16.10662615      6.28226267     -8.49708734
  O     15.42283686     10.46557488     -8.77435896
  H     18.60121697      6.76138296     -9.34673940
  H     14.80064140      6.94041205     -9.03348539
  O     13.59053184      8.38105850    -11.95605047
  H     18.23947923      6.55936237    -10.82793121
  H     13.23633036     11.50640294    -12.43507877
  O     10.85245960      6.07221136    -10.59069031
  H     18.06584581      6.45276275     -6.82021123
  H     12.91497466     10.00221302    -12.32614010
  O     13.55683600      5.79902128    -14.59406660
  H     17.72659176      7.72827856     -7.62847050
  H     11.11325187      6.72787314    -12.37206967
  O     11.53542298     11.11196419     -9.89016213
  H     16.29051336     10.46354247    -10.39556846
  H     11.01705612      7.86495747    -13.44325514
  O     15.03714237      7.99464324    -15.45557783
  H     17.69880366     10.31648294    -11.00870232
  H      9.93388855     10.06476305    -14.37183829
  O     19.29035918      9.63941238    -10.31708725
  H     12.87448428     12.10142166     -9.34575312
  H     11.11909720     10.12900697    -13.39403817
  O     15.35065178      6.14429343     -9.08079874
  H     13.39809842     13.40842078     -8.70405125
  H     10.29944334      8.25912632     -8.30535200
  O     12.51681758     10.86513696    -12.51520642
  H     14.81087585      9.72110499     -8.86495291
  H     10.84305388      7.60911170     -9.59444502
  O     11.47526330      7.04423626    -13.20728034
  H     14.88641812     11.26781301     -8.78759009
  H     14.38349875      4.78722631    -13.50255419
  O     10.43994567      9.53844726    -13.75841917
  H     12.97079852      7.82470726    -12.44358123
  H     14.99294417      3.39504703    -13.21030579
  O     10.91522407      8.39001329     -9.02308442
  H     14.45262767      8.33823872    -12.38951101
  H     12.79840876      8.38484179     -8.96264080
  O     14.83410095      4.25157794    -12.82363859
  H     11.72745071      5.64324088    -10.54471767
  H     13.70304707      8.36008009    -10.21307955
  O     13.71933959      8.35137852     -9.24171486
  H     10.20554654      5.37291182    -10.53655704
  H     16.41949765      7.59569281    -12.50600022
  O     16.16253397      8.40933929    -12.96304961
  H     12.74185133      6.17445164    -14.23633831
  H     16.42152066      9.15998327    -12.41147663
          69
 Energy    -248.18117580421176     
  O     17.71907207      8.69134870    -15.07645740
  H     16.76668982      8.76364766    -14.92931478
  H     20.35470582      4.37233126    -15.59534664
  O     17.46626391      1.57475934    -12.46453589
  H     17.84485166      7.93021028    -15.65304314
  H     14.98967150      7.44952998    -16.01596566
  O     20.63367284      6.01652110    -13.10937404
  H     17.36454359      1.42650327    -13.41323776
  H     16.07569365      6.60624815    -16.72478881
  O     13.95684574      4.38427030    -16.28820112
  H     16.63185080      1.92649547    -12.13098940
  H     13.29112285      5.61298734     -9.69259859
  O     17.85627590      6.00361321    -16.28084849
  H     20.32393525      5.20392661    -12.69292186
  H     13.87436039      6.96969375     -9.26542466
  O     13.64729426      3.77975272     -9.27353006
  H     20.67834474      5.83407424    -14.05557610
  H     18.69132573      4.13746520    -11.34026553
  O     17.61935486      1.35566915    -15.29421032
  H     14.28236529      5.27971628    -16.49652189
  H     18.62401324      2.86256683    -12.19825533
  O     16.61025642      7.45702037    -10.80792734
  H     13.14414792      4.26244753    -16.77076640
  H     14.39693056      4.47053952    -14.48315293
  O     19.93385684      2.92098013    -14.74554103
  H     17.63245003      5.76572104    -15.36617004
  H     15.67969154      4.88330011    -13.69362742
  O     17.40743651      4.81783760    -10.21608840
  H     18.80549410      5.84023973    -16.35780797
  H     19.40085664      7.28653794    -12.75083464
  O     17.37694797      5.39959359    -13.63824374
  H     13.07163811      3.05571976     -9.04043009
  H     18.38505592      8.24277559    -13.47071007
  O     20.52908060      5.26518851    -15.94577850
  H     14.19802701      3.47177729    -10.01241442
  H     14.35959165      6.22059852    -12.80874212
  O     15.12565331      6.77332490    -16.69167985
  H     17.21443373      2.06701901    -15.82050947
  H     13.81730205      6.96793203    -11.55689017
  O     13.28398908      6.55444668     -9.90627143
  H     17.58281834      0.56451878    -15.82570295
  H     16.09638528      3.73956824    -10.98556162
  O     19.09015370      3.71128826    -12.11286519
  H     17.35859809      7.71218138    -11.36675556
  H     15.05273731      3.63490209    -12.13818519
  O     14.74436175      4.64054111    -13.60055478
  H     15.83899658      7.35800032    -11.38234906
  H     17.07156619      4.24623877    -16.73531020
  O     18.56737139      7.76783897    -12.64694404
  H     19.83068699      3.09584067    -13.80288869
  H     15.65383887      3.64559115    -16.63840893
  O     14.30436806      7.08909690    -12.38603958
  H     19.22220149      2.31199577    -14.97807455
  H     15.13904075      4.39922531     -8.18478728
  O     15.37641841      3.19587062    -11.33844205
  H     17.06828718      4.69924966     -9.31707158
  H     15.79081622      5.75066212     -7.85157542
  O     16.58793598      3.41371555    -16.71240704
  H     17.18311491      5.72398750    -10.46417489
  H     15.94063693      7.63116618     -9.16148245
  O     15.96086994      4.79996089     -7.87570105
  H     17.93000424      4.72167077    -13.23127421
  H     15.64445483      8.38627271     -7.84566411
  O     15.44663773      7.58576644     -8.32475400
  H     17.68730312      6.24522559    -13.28731798
  H     14.65511197      8.15684053    -13.77063894
  O     14.89836681      8.65307483    -14.56936128
  H     21.34402420      5.21445430    -16.43865361
  H     14.36502271      9.44477001    -14.57038006
          69
 Energy    -248.18113947739934     
  O     10.21147456      9.87021841    -12.72636089
  H     10.05545754      9.67540073    -13.65897271
  H     19.37584152      6.63560241    -15.68196577
  O     14.07996462      7.55820794    -15.41966367
  H     11.06417212     10.32118504    -12.68428504
  H     15.11637329     12.14899153    -14.34628544
  O     18.56284744      9.64714222    -15.21112982
  H     13.50442313      8.31724775    -15.57842936
  H     15.22386889     13.36818709    -13.39717041
  O     12.59856617      9.90296096    -15.46253343
  H     14.62915440      7.81194776    -14.65976299
  H     14.90286265      8.36885379    -12.44777098
  O     14.81094905      5.59588822    -10.12519911
  H     18.03196407      9.93365931    -15.96539099
  H     16.09176769      7.49360328    -12.98178500
  O     13.06421923      5.60121774    -13.72430724
  H     18.14469274     10.02259873    -14.42585259
  H      8.95324037      7.48561454    -11.04177802
  O     13.82138090      8.88863278    -11.09969092
  H     12.68944842     10.17733139    -14.53744565
  H      9.89729813      8.36079595    -11.90158421
  O     16.81218663     10.09943865    -17.40786788
  H     11.68336873      9.61997090    -15.57909946
  H     11.22323711      6.03079826    -14.10508740
  O     15.48717035      4.42959258    -12.69647410
  H     13.89365473      5.84979582    -10.29515816
  H     10.07458659      6.66537990    -13.29193092
  O     17.10714229     10.38615984    -12.90628364
  H     15.07193711      5.08603214    -10.89921313
  H     19.12195991      8.83470058    -10.81242720
  O     16.33903469      7.44945774    -17.04820460
  H     13.83797824      5.10060699    -13.43956320
  H     17.95927897      9.26918895    -11.72999345
  O     18.58061908      6.94394686    -15.25477671
  H     13.37895357      6.23407941    -14.38665711
  H     17.91705962      6.46515681    -13.64416284
  O     15.20604464     12.41498918    -13.41163537
  H     13.24252394      8.11479933    -11.06185394
  H     17.89439146      6.94522476    -12.16234584
  O     15.48398126      8.20867851    -13.20456437
  H     14.52995197      8.75355215    -10.45240503
  H     15.65545882      7.16887681     -9.67681753
  O      9.74617967      7.45735939    -11.56984757
  H     17.02003172     10.28648381    -18.31960982
  H     16.77777708      8.19043922    -10.01189561
  O     10.37017447      6.47310065    -14.19111144
  H     16.60748617      9.14882861    -17.35577220
  H     15.50977773     11.05320510    -16.46050718
  O     18.31161716      8.52703284    -11.21182411
  H     15.82251462      3.54082668    -12.79197064
  H     14.04989189     10.97886414    -15.94252071
  O     17.50407123      6.31408759    -12.78092806
  H     16.25666427      5.02118594    -12.73120460
  H     12.56806827      6.22608622    -12.06540079
  O     15.92619205      8.09507354     -9.57503492
  H     16.57030467     11.18515300    -12.95783489
  H     11.42426431      6.79929372    -11.18426689
  O     14.85436017     11.51438783    -15.92404203
  H     16.50093411      9.65462763    -13.10705823
  H     13.60904821     11.44717037    -12.92542625
  O     12.35624750      6.54923567    -11.17764820
  H     15.50475817      7.37974828    -16.56212726
  H     13.20698148     10.16814641    -12.15374059
  O     12.90027796     10.80306973    -12.81960728
  H     17.02913368      7.11997621    -16.46205805
  H     10.13766272      7.97813061    -15.05890054
  O     10.00417719      8.87437221    -15.41627994
  H     18.63702624      7.91676547    -15.22477206
  H      9.26993674      8.82295111    -16.02193117
          69
 Energy    -248.18103718291400     
  O     10.35451670      9.31226366    -11.60793055
  H     11.29089137      9.55414337    -11.63316268
  H     15.60482186     11.81556559    -14.04985595
  O     14.05552372      7.69041124    -15.55092075
  H     10.33415959      8.44458055    -11.18473079
  H     15.30520103      7.90172011    -14.25627315
  O     16.43330430      8.75817784    -11.02549756
  H     13.51187030      8.47516450    -15.40271058
  H     16.51831863      7.11239519    -13.70445355
  O     12.57668879      9.87438004    -14.64613611
  H     14.58301825      7.81264457    -16.35022471
  H     10.60174519      6.03262114    -10.02627722
  O     13.12608951      5.69536137    -13.87188100
  H     16.02360186      9.60803881    -10.83405463
  H     11.75336900      6.65929755    -10.84238094
  O     15.11185570     11.22774580    -10.91502337
  H     16.19347441      8.52282144    -11.93822472
  H     19.06384364      6.83567380    -11.78701404
  O     16.61991047     10.59635340    -16.74095378
  H     12.83448036      9.78120957    -13.71539113
  H     19.72784379      5.52694106    -11.29940837
  O     15.39344262      4.30242633    -12.96753888
  H     11.64036700      9.64382497    -14.68868682
  H     10.40320189      6.32770491    -12.62624653
  O     17.96661268      9.70702282    -14.51738215
  H     13.44438933      6.30022098    -14.55559568
  H     10.23821926      7.14310784    -13.92240481
  O     15.87864628      7.98838966    -17.65268933
  H     12.16043897      5.76215109    -13.86462209
  H     18.23136509      8.76769012    -11.57148478
  O     18.07312215      7.26377955    -16.22998025
  H     15.16541134     11.98762595    -10.34282325
  H     18.93668423      9.03693606    -12.91095287
  O     16.22069729     11.70516545    -13.31507933
  H     15.53407121     11.47252980    -11.75961674
  H     16.79129103      5.00929966    -13.83084431
  O     16.02431821      7.93937648    -13.61487022
  H     16.32459753      9.78751093    -17.17712933
  H     18.12425961      5.60686520    -13.31463125
  O     10.78749055      6.63796371    -10.73972789
  H     15.82224082     11.03951778    -16.42743343
  H     17.06086547      5.76166638    -10.89757648
  O     18.91699092      5.88246253    -11.65345002
  H     14.55525061      4.62921272    -13.32282648
  H     16.22936063      7.00296374    -10.63223089
  O     10.45242820      6.26450010    -13.58822073
  H     15.53109945      4.76462637    -12.13246798
  H     13.89130153     12.58640918    -15.78585421
  O     19.04052763      8.58021092    -12.06859462
  H     17.26979822      9.10032769    -14.21909319
  H     13.67060025     11.16124298    -15.23159217
  O     17.52193555      5.59989159    -14.06932074
  H     17.64031289     10.10199471    -15.34122802
  H     14.32766949      6.50548653    -11.01145689
  O     16.15843572      6.03774948    -10.69871776
  H     15.90693037      7.64095338    -18.54015578
  H     13.39641298      6.43771794    -12.25200780
  O     14.35082126     11.80718838    -15.48149152
  H     16.67707386      7.66276635    -17.19802486
  H     13.35694193      8.64265555    -11.71412268
  O     13.48542488      6.81458387    -11.36252469
  H     18.34852924      8.04542304    -15.74098072
  H     13.75782034     10.14546653    -11.53668240
  O     13.13337718      9.54889122    -11.96638845
  H     17.94316368      6.57004786    -15.56677925
  H      9.04723985      9.31725080    -14.54953237
  O      9.92018944      9.04755337    -14.27635551
  H     16.93517672     11.14940609    -13.64524943
  H      9.97462455      9.19894669    -13.31501436
          69
 Energy    -248.18082206301204     
  O     17.63822887     10.45825613    -17.86693063
  H     17.69076322      9.96352956    -17.03411837
  H     16.29666856      5.87987859    -16.01183165
  O     16.03218863      5.83474037    -12.65885511
  H     16.74238322     10.81259215    -17.96511571
  H     17.96139510      8.09266371    -11.37150011
  O     16.80791562     14.11323262    -12.65475492
  H     15.78465045      4.98418980    -12.30633037
  H     17.60274394      6.69866865    -11.91251460
  O     21.58224681      9.81192139    -13.66593427
  H     16.28198029      5.68970998    -13.58908308
  H     20.93262716      9.32039362    -16.89796633
  O     15.51638775      6.97610332    -17.39428596
  H     16.51966642     14.97262238    -12.95307584
  H     20.64981422     10.81851053    -16.60166710
  O     14.05369745     11.13985241    -12.79409933
  H     17.20928523     13.68460154    -13.42680659
  H     18.30577592      8.15829040    -15.52632170
  O     15.02939678      8.44203889    -12.68448343
  H     22.45242763     10.12033682    -13.42955348
  H     16.90345891      8.83131229    -15.36262185
  O     17.82690684     12.63833277    -14.76434434
  H     21.51026729      9.88260666    -14.63535844
  H     15.01725055     11.69999193    -17.00801665
  O     20.55139760      7.14620167    -13.27884153
  H     14.71356593      6.73067793    -17.84848955
  H     14.26337630     11.69737249    -18.35081650
  O     15.07038756      8.83803068    -15.40781928
  H     15.26856943      7.65488913    -16.74429202
  H     16.73898773     10.63309985    -11.13573064
  O     19.27082715      6.61794449    -15.59189159
  H     14.16880679     10.18719708    -12.68546567
  H     17.78948463     10.08319225    -12.13137718
  O     16.76231477      5.53218440    -15.24408091
  H     14.54937409     11.54918477    -12.07440576
  H     15.68945384     12.69404892    -10.02101152
  O     18.33959282      7.23403055    -11.59573199
  H     15.76411262      8.91517342    -12.26559168
  H     16.20893725     12.95961961    -11.45312386
  O     21.18481712     10.06262326    -16.33514092
  H     15.23938493      7.50241334    -12.60634811
  H     18.55906182      9.93105956    -14.17079241
  O     17.84412577      9.00670511    -15.48858366
  H     18.36545217     12.69119698    -15.56131287
  H     19.84679543     10.33619765    -13.39874505
  O     15.12269609     11.55597201    -17.96318479
  H     18.22851107     11.93862261    -14.22508910
  H     21.03731858      7.33770537    -18.53283907
  O     17.12887705      9.81880990    -11.47320211
  H     19.84108291      7.17897630    -12.61973382
  H     19.56672055      7.73914286    -18.27497856
  O     15.84889644     12.27565892    -10.86318719
  H     20.96592747      8.01522520    -13.29394811
  H     16.07888120     11.99522096    -15.06744546
  O     18.89823804     10.49982101    -13.46073135
  H     15.04556066      9.80211697    -15.46342565
  H     14.73242873     11.58246551    -14.38845090
  O     20.46166918      7.74648154    -17.89147169
  H     14.96976507      8.61546999    -14.47068927
  H     18.81686259     11.68045424    -17.48355542
  O     15.19264294     11.65255661    -15.23793279
  H     19.79521626      6.73132679    -14.78216871
  H     19.73927212     12.88554705    -17.78469325
  O     19.46201628     12.29422678    -17.08924874
  H     19.81543836      6.86465579    -16.34670691
  H     17.78399245      8.80252575    -18.69515526
  O     17.90010361      7.84889681    -18.81127853
  H     17.69154209      5.77602737    -15.36865061
  H     17.13771021      7.44641496    -18.37950877
          69
 Energy    -248.18080535239886     
  O     16.15998710      9.01311356    -17.62987582
  H     16.45036532      8.82607561    -16.72304460
  H     16.56538494      5.19477297    -15.60398296
  O     15.11679531      5.99753995    -12.74646972
  H     15.61751538      9.81629494    -17.59506666
  H     18.12412916      6.49327212    -12.33875862
  O     18.88046763     14.30676314    -13.96046975
  H     15.86933854      6.38665304    -12.28460889
  H     17.86313780      6.36388438    -10.82316034
  O     19.82905738      8.23429009    -14.92344364
  H     14.47830460      6.70276653    -12.90649122
  H     19.79771647      9.41705773    -17.76318659
  O     13.91467158      7.47061672    -16.34232528
  H     18.02350272     14.34660555    -13.51812381
  H     21.15168896      8.79668410    -18.19208687
  O     17.85983499     12.35346347    -10.90850148
  H     19.48693519     13.92902829    -13.31049668
  H     16.65909815      7.37146718    -15.14873432
  O     15.37047518      9.76415091    -13.54017877
  H     20.14295280      8.39656870    -15.82118583
  H     17.97248741      8.21471501    -15.05929167
  O     18.40908433     12.03188219    -15.43844719
  H     19.91066299      9.05153397    -14.41213776
  H     14.98516990     11.72026703    -16.44709219
  O     19.04911735      5.89659183    -13.70028038
  H     14.42301339      8.01438843    -16.94950469
  H     14.43811140     12.07054188    -17.84038471
  O     13.24269070      8.00990113    -13.75028004
  H     14.49977402      6.72990723    -16.11636518
  H     16.65349297      9.77267397    -12.27878651
  O     18.25442752      4.72568697    -16.21574102
  H     17.65328281     11.41926376    -11.04518279
  H     17.56341814      8.72742557    -11.59962008
  O     15.79887761      5.72965217    -15.37142598
  H     17.23919103     12.85870136    -11.44882523
  H     20.96840668     13.04927675    -11.31477016
  O     17.61502736      6.86521436    -11.59663876
  H     15.97562846      9.24527549    -14.09649167
  H     19.47248140     12.68459998    -11.48658437
  O     20.38895824      8.65123032    -17.63981177
  H     14.54091577      9.27276650    -13.51086139
  H     18.85440396     10.19187924    -12.81650669
  O     17.01068346      8.27117477    -15.10230948
  H     18.79218668     11.41688900    -14.79872472
  H     19.98932544     11.24169795    -12.94645148
  O     14.73534187     11.34035857    -17.30254829
  H     18.62773610     12.91667557    -15.11130053
  H     15.98385690     13.33856192    -13.46903396
  O     17.45844030      9.67546663    -11.74956697
  H     19.48395930      6.67873736    -14.07149302
  H     15.57984036     14.53162577    -12.57594645
  O     20.31362207     12.80859120    -11.96416437
  H     18.81304540      5.35945688    -14.46424836
  H     17.44241725      7.46148845    -18.03279483
  O     19.56647626     10.49987539    -13.39593698
  H     13.40085167      7.84890742    -14.69802106
  H     18.97782292      7.40103162    -17.92574527
  O     16.28003429     13.90383033    -12.73734427
  H     12.30060500      7.95108552    -13.61679258
  H     15.51325726     11.33968255    -14.33180285
  O     18.18322752      6.85244877    -17.94362845
  H     18.25105962      5.45582360    -16.86043751
  H     16.64711220     12.10089255    -15.08913683
  O     15.71992646     12.15738048    -14.81014864
  H     18.52811220      3.94457103    -16.68900769
  H     17.71486321     10.15719137    -17.90022262
  O     18.56559467     10.60628355    -17.83781199
  H     15.60255061      5.62195838    -14.42806789
  H     18.51298850     11.19150301    -17.06943340
          69
 Energy    -248.18060419049615     
  O     14.19079998      7.76667302     -9.79070330
  H     13.60247025      8.52558181     -9.88567177
  H     13.97313371      7.09865729    -17.11229452
  O     17.61024344      5.54300033    -13.84020025
  H     15.07107238      8.13209335     -9.60329931
  H     17.53116039      9.04496450    -15.78954514
  O     12.62610803     10.01812692    -10.64162878
  H     16.95886969      4.88959052    -13.55411358
  H     18.30194365      7.77101579    -16.10427839
  O     14.78193262     11.38390202    -12.12538770
  H     17.56987071      5.60725066    -14.80263160
  H     14.12926139     11.22770330    -13.78213950
  O     11.47079282      7.22229966    -15.05570118
  H     11.97686181     10.56489851    -10.20455605
  H     14.47742170     10.32217282    -14.98936488
  O     18.24221257      6.33800368     -9.79265933
  H     12.25596884      9.79616330    -11.51141602
  H     15.33418247      7.61039640    -12.81877462
  O     13.71286185      5.41798597    -14.41206592
  H     14.20790530     10.96767656    -11.47401782
  H     16.72614536      7.07946622    -13.29643155
  O     11.95846617      9.28015012    -13.25179994
  H     15.67265687     11.04041019    -11.97564013
  H     15.08486067      6.00838893    -10.13389735
  O     12.43486303     10.69358664    -17.00632357
  H     12.01023359      6.44500037    -14.87320447
  H     16.56908591      5.62002534    -10.23881960
  O     17.40607648      6.03595536    -16.60422667
  H     11.69977865      7.48845174    -15.95440184
  H     19.55782631      7.70125914    -12.54763993
  O     15.66498187      9.10035889    -15.49053213
  H     18.71807820      6.52702155    -10.62058272
  H     18.94018043      6.30442510    -12.79874141
  O     14.72625504      6.70518404    -16.65453637
  H     18.88258178      5.97929003     -9.18407862
  H     15.56130983      2.99432309    -12.57309764
  O     18.42296614      8.67128177    -15.78556757
  H     14.25666610      4.72133668    -14.02927769
  H     15.54076471      4.41504458    -11.96949868
  O     13.78707737     10.89755656    -14.62598181
  H     13.63305701      6.06744476    -13.69406594
  H     16.86498285      9.25444506    -12.23883816
  O     16.21511375      7.87616081    -13.11362306
  H     11.61304787      8.61691375    -13.86721755
  H     18.15005066     10.07376922    -12.27957661
  O     15.67893850      5.33917149    -10.48994779
  H     12.53705060      9.86604697    -13.76044921
  H     19.22729343      9.15708390    -14.27814997
  O     19.45142560      6.82342043    -12.16266952
  H     12.87707256     10.87498796    -16.16111768
  H     20.43419655      9.85566129    -13.61916315
  O     15.55753869      3.91853366    -12.80842994
  H     12.17122150     11.54324887    -17.35007479
  H     17.31232552      7.95795882     -9.47025350
  O     17.28285299     10.04705011    -11.86307491
  H     17.66087965      5.54359715    -17.38080529
  H     16.99464084      9.29544446    -10.16506162
  O     19.61939334      9.40044643    -13.42181562
  H     16.46578410      6.25631055    -16.71147444
  H     12.45377041      8.99638808    -17.45523969
  O     16.72751398      8.72505144     -9.43261542
  H     15.30245997      8.35896790    -15.98987439
  H     11.93261761      7.91510369    -18.42924745
  O     12.44980045      8.04055400    -17.63740687
  H     15.88933735      8.73571557    -14.61898720
  H     13.06173677      7.96084993    -12.69600721
  O     13.64292385      7.24300757    -12.41391974
  H     14.37607305      6.22841700    -15.88611911
  H     13.78893529      7.33902402    -11.46314890
          69
 Energy    -248.18028952631209     
  O     15.68731222      8.71107317    -15.72141830
  H     16.24680492      8.48678049    -14.96549764
  H     12.62848043     10.03548114    -14.60803130
  O     15.16448049     12.50655894    -15.21556543
  H     14.93821207      9.20691423    -15.37074057
  H     17.11982219      9.05342656    -18.51200714
  O     20.00754350     10.56463559    -10.26906677
  H     14.41782403     11.91518683    -15.06864569
  H     16.57779989      9.31233350    -17.08771627
  O     20.21647040     12.64901463    -12.01945473
  H     15.92644414     12.00939840    -14.87756068
  H     16.34660074     12.66698526    -11.09882152
  O     14.35509156     10.17001561    -11.98240484
  H     20.11563501     11.36808537    -10.80537060
  H     15.31835857     12.89587360     -9.96716576
  O     17.29959974      9.98620613     -9.69147794
  H     20.75154750     10.53234744     -9.67226939
  H     18.30128149     15.83011198    -14.37656907
  O     17.32748159      8.46529131    -13.42865170
  H     20.44875725     12.13342320    -12.80561688
  H     18.73096906     17.29532939    -14.16154306
  O     16.11406791     12.40720992    -17.90607581
  H     20.59852622     13.53013617    -12.14278992
  H     20.42650241     11.11362401    -15.02627409
  O     18.44977126     13.49019815    -16.96238593
  H     14.79635268      9.37734089    -11.65371216
  H     21.60164583     12.02750119    -14.59418175
  O     21.19800058     15.04643804    -12.83294478
  H     14.74268158     10.90868809    -11.49871422
  H     16.48737109      8.67611921    -10.46624079
  O     19.02829732     10.90275687    -16.13218174
  H     16.80027352     10.79523924     -9.85864005
  H     15.80878259      7.28287692    -10.44857978
  O     13.54728539     10.28681218    -14.56650944
  H     18.23039142     10.19368802     -9.84013175
  H     19.85425781     14.63032996    -16.76060084
  O     17.11353778      9.69432435    -17.80625648
  H     18.27258114      8.55934587    -13.23374610
  H     20.13182741     15.75609519    -15.75049739
  O     15.72391688     12.21817193    -10.50228194
  H     16.88358218      8.21116536    -12.61048594
  H     17.64422331     14.17316058    -15.47467930
  O     19.07022077     16.40707733    -14.24574789
  H     15.64780523     12.46648624    -17.06154229
  H     16.25501400     14.05128623    -14.84108530
  O     21.04296588     11.29605055    -14.30162363
  H     16.38855726     11.48495451    -17.98540099
  H     21.77508143     14.19406462    -15.62633321
  O     15.97938673      8.03952250    -11.00213569
  H     18.80397731     12.63124289    -16.69471570
  H     23.26071386     13.80749799    -15.43986586
  O     20.56200116     15.17876321    -16.39145086
  H     17.64171226     13.28395942    -17.45401280
  H     19.98856783      9.45382046    -11.87408833
  O     17.10883257     14.48903814    -14.73045311
  H     21.71373935     14.66966718    -13.55786059
  H     20.43581103      9.70172368    -13.32371392
  O     22.38895670     13.67438998    -15.07661443
  H     20.50370635     15.57553363    -13.24441139
  H     17.20801765     10.24295047    -13.73348370
  O     19.93578395      9.09321127    -12.76677523
  H     18.53642319     10.41199210    -16.80133374
  H     17.41142039     11.73663546    -13.29882193
  O     17.27974070     11.15250147    -14.05255024
  H     18.42185068     10.99478145    -15.37883951
  H     17.42677629     13.77277961    -13.04058687
  O     17.54574663     13.26576395    -12.22694649
  H     13.80513505     10.24781580    -13.62786397
  H     18.49439642     13.12081073    -12.10136540
          69
 Energy    -248.18028112314295     
  O     10.44214033     10.10295940    -12.09381786
  H     11.28752442     10.53940551    -12.26376814
  H     14.97213919     13.61116528    -14.25757040
  O     13.97713293      7.36699286    -15.36881433
  H     10.61576638      9.40901845    -11.44488972
  H     15.09845405      8.31544488    -14.32845858
  O     17.60109334     10.14143914    -10.36375957
  H     13.74269556      6.80626141    -14.61556228
  H     16.03538913      9.55480290    -14.12204952
  O     12.27649181      9.53943630    -15.14988407
  H     13.31750657      8.07389874    -15.40423917
  H     10.61401888      7.62304402     -9.57824442
  O     15.67004601      5.63352564     -9.67815635
  H     18.04152745     10.54981462     -9.62344391
  H     11.92891420      7.68635987    -10.38709988
  O     13.34436953      6.07696271    -13.00006400
  H     17.69963658      9.17690868    -10.25370932
  H     18.09475317      6.73519910    -13.92962453
  O     14.96275162      9.74828424    -11.27624736
  H     12.54501555      9.98019409    -14.33158217
  H     17.01574990      7.66344986    -13.29009781
  O     16.42684653     10.24447638    -17.35677841
  H     11.35338730      9.28311112    -15.03399430
  H     10.61165461      6.86898867    -12.07372485
  O     15.86023490      5.00504034    -12.29708515
  H     15.70964251      4.87306475     -9.10476053
  H     10.26340646      7.16115485    -13.53961292
  O     16.89640827     11.08176558    -14.72142717
  H     15.75478866      5.30268774    -10.59183050
  H     18.39756203     10.09473432    -12.12401599
  O     16.33225791      7.41459758    -16.89042430
  H     12.37953890      6.05896263    -13.08501952
  H     18.67377412      8.94936785    -13.10798585
  O     14.71990708     12.69515351    -14.34211045
  H     13.51807293      6.58068010    -12.19455556
  H     18.73933120      5.50501198    -16.08955382
  O     15.66709534      8.77101195    -13.69563969
  H     15.79365426     10.01716461    -10.86810081
  H     17.68882330      6.63093111    -16.09678786
  O     10.97102874      7.84317495    -10.43509008
  H     15.19995518      9.35728701    -12.13430015
  H     17.11807955      6.85452453     -9.96265488
  O     17.76362103      7.08113039    -13.08664834
  H     16.68481183     10.56720471    -18.21644992
  H     17.89195307      7.22871886    -11.24421140
  O     10.62652807      6.48247315    -12.95847656
  H     15.51522926     10.55217976    -17.20268404
  H     14.12620429     11.83723002    -15.98516931
  O     18.69765431      9.90832677    -13.02311352
  H     15.00707685      5.22275263    -12.69648773
  H     13.29537156     10.58812799    -16.30937256
  O     18.40956854      6.23657683    -15.57536436
  H     16.51650078      5.58796413    -12.69514510
  H     14.31957358      6.83529702    -10.09837252
  O     17.78502704      7.45730534    -10.30974050
  H     16.96587341     10.79540888    -15.64161613
  H     14.13696295      8.27283163    -10.67580078
  O     13.96834479     11.17910519    -16.67256270
  H     17.65423209     10.75169426    -14.21568649
  H     13.63642712     10.62714986    -12.19416305
  O     13.68092922      7.43747095    -10.49966439
  H     15.46644670      7.28815186    -16.47929655
  H     13.51381835     11.69330496    -13.30352751
  O     13.02016157     11.00948696    -12.83371554
  H     16.39099463      8.35199906    -17.10750217
  H      8.80150848      9.03917053    -14.64282652
  O      9.68662141      8.82427663    -14.36182727
  H     15.54400225     12.18245954    -14.41370281
  H      9.85657794      9.33063619    -13.54601130
          69
 Ord_Energy   -248.179947    
 O  -0.379069120      -3.41303349      -1.44115043    
 H  -0.909610927      -2.61216068      -1.27109969    
 H  -0.851518512      -4.14342499      -1.05128610    
 O    5.76643705      0.796091199     -0.355461448    
 H    5.47821093      -9.78361368E-02 -0.614538968    
 H    6.28639030      0.700631261      0.437961310    
 O  -0.767341137       1.45990765     -0.782645106    
 H   -1.03107548       1.56858253      -1.70352435    
 H  -0.244548455       2.25181723     -0.579477668    
 O    6.52039623       1.15408027      -3.09712434    
 H    6.23126841      0.305160820      -3.44598126    
 H    6.41713333       1.08778179      -2.13829708    
 O    4.96512032      -1.60407770      -1.33119786    
 H    4.12798119      -2.04351902      -1.13452220    
 H    5.04949236      -1.59967911      -2.29122663    
 O    2.20704150       3.88248992      -5.14825916    
 H    2.08910728       3.27429175      -5.88667345    
 H    2.99937081       3.58751941      -4.67812967    
 O    1.01941371      -8.98404419E-02  -3.55726981    
 H   0.676183641     -0.977388442      -3.71853709    
 H    1.28879881      -4.48601618E-02  -2.62968111    
 O    4.22038746       2.51415849      -3.79335475    
 H    5.12796688       2.23901439      -3.60317850    
 H    3.82407951       1.77569568      -4.27614689    
 O    1.68132877      0.125977784     -0.892111361    
 H   0.817660511      0.522104859     -0.714526832    
 H    2.32869744      0.844041824     -0.914319515    
 O   0.193195835       4.32548904      -3.41441250    
 H  -0.179321483       5.19130898      -3.56116486    
 H   0.925549030       4.22238350      -4.04787779    
 O    3.46289325       2.23718500      -1.11030698    
 H    4.26286602       1.85638726     -0.726384103    
 H    3.66515827       2.41005659      -2.04022479    
 O   0.965839207       3.58856177     -0.732847273    
 H   0.775343359       3.93615460      -1.61296320    
 H    1.87390471       3.26171494     -0.764193714    
 O   -2.79160762     -0.375230461      -3.64903140    
 H   -2.34839797      0.482065260      -3.69230676    
 H   -2.52082610     -0.841291130      -4.44792843    
 O  -0.629708469       1.01698864      -6.43824434    
 H  -0.931101978      0.101741590      -6.37634182    
 H  -0.886900485       1.43149936      -5.60652304    
 O    1.85837507       1.81799567      -7.14228106    
 H   0.949511528       1.52613139      -6.94736195    
 H    1.90000904       1.98439813      -8.08011818    
 O  -0.984242320       1.81131124      -3.69570065    
 H  -0.630707681       2.70652366      -3.60967064    
 H  -0.238735199       1.18872356      -3.67822266    
 O   0.194903255      -2.73149037      -4.11449003    
 H  -0.103213832      -3.04155850      -3.24947834    
 H    1.13464391      -2.96088767      -4.18228292    
 O    2.86605263      -3.14627910      -3.80228043    
 H    3.64984608      -2.64772058      -4.04434299    
 H    2.73692703      -2.98707294      -2.85504746    
 O    5.15149069      -1.29804754      -4.22874641    
 H    5.70492363      -1.62623978      -4.93482971    
 H    4.47959948     -0.721885443      -4.63392782    
 O    2.30566430      -2.53519750      -1.10428619    
 H    1.44599831      -2.97267628      -1.09443617    
 H    2.11692357      -1.59849954     -0.935433507    
 O   -1.53287566      -1.63704896      -5.93232965    
 H   -1.92454553      -2.30017877      -6.49545574    
 H  -0.914282858      -2.10074377      -5.34287405    
 O    3.16887236      0.316692442      -5.18961430    
 H    2.40317130      0.141979203      -4.62048531    
 H    2.82953477      0.763457596      -5.97502995    
 O   -1.82554328      -1.17463708      -1.17143321    
 H   -2.26878524     -0.970501184      -2.00870991    
 H   -1.56045067     -0.326721817     -0.799823523    
          69
 Energy    -248.17994258744625     
  O     12.41678472     10.70922591    -15.84240683
  H     13.09766428     11.36911955    -15.67257163
  H     15.64092777      5.62885048    -14.85115362
  O     16.07414883      6.50146534    -13.28211974
  H     11.97643715     10.51741582    -15.00466053
  H     19.64283330      6.74105011    -12.28605333
  O     16.78035160     10.57770979    -10.99383949
  H     16.95657942      6.62999517    -12.91906458
  H     18.90366411      8.08110935    -12.56860865
  O     17.98640275     10.08106108    -15.30636019
  H     15.42152833      6.76236212    -12.61508538
  H     16.42753600     10.60809618    -17.71083382
  O     12.73149932      5.99648983    -15.96596222
  H     16.13023684     10.57463895    -10.27564683
  H     17.04514446     11.95822481    -18.13811747
  O     14.65424207     10.17641796     -9.25446483
  H     16.29090534     10.84337043    -11.78447234
  H     15.75742515      7.99142576    -14.26518333
  O     14.02536174      7.38538530    -11.61828409
  H     17.16102442      9.60610230    -15.11481567
  H     14.96743494      8.67858503    -15.42667686
  O     15.19367140     11.08585430    -13.24551862
  H     17.76019642     10.69785040    -16.00830385
  H     10.13693821      9.81222423    -13.38408049
  O     17.32274459      6.53717866    -17.44949275
  H     12.25777504      5.31260164    -16.43124156
  H     11.32814806      8.83716426    -13.54885431
  O     14.95952631      7.28493650     -8.97608678
  H     13.65820767      5.70209551    -15.89723711
  H     17.15276813      8.83476210    -10.44835786
  O     18.95555571      7.46541700    -15.48791558
  H     14.67137327      9.25172103     -8.98292768
  H     17.86516199      7.52906177    -10.83376744
  O     15.34041756      5.37935892    -15.73579139
  H     13.99920832     10.22208978     -9.96519518
  H     12.62128110      7.07809601    -12.87983596
  O     18.79885873      7.11019812    -12.53585638
  H     14.22913830      7.20910739    -10.69130836
  H     12.19053719      6.74208620    -14.33404478
  O     16.64970120     11.50507664    -17.39806460
  H     13.77411523      8.31924914    -11.65823699
  H     18.29347411     10.19814658    -12.04329161
  O     15.60425250      8.82990637    -14.71713745
  H     15.06690936     11.74440010    -13.93639531
  H     18.65659053     10.07554010    -13.54988722
  O     11.08343436      9.77980810    -13.49484654
  H     15.30829297     10.24237463    -13.71171146
  H     16.52518960      8.18994658    -18.00490345
  O     17.30195168      7.92162230    -10.16262355
  H     17.94504942      6.82416061    -16.75854347
  H     15.14018793      8.82762598    -17.82255910
  O     11.92654208      7.21523129    -13.53588070
  H     17.82281755      6.00172949    -18.06084907
  H     12.37098308     10.05857743    -12.18346677
  O     18.90885918      9.78508340    -12.66329400
  H     15.85283860      7.44264740     -9.33386936
  H     13.84469200     10.52645485    -12.19812019
  O     16.02809123      8.99875355    -18.17105365
  H     15.06522997      6.75164671     -8.19342464
  H     14.60417572     13.44392335    -15.82815836
  O     13.17983539     10.07445338    -11.65847605
  H     18.78111204      8.41778137    -15.50183538
  H     15.37014063     12.17394244    -16.25219930
  O     14.71549008     12.51785905    -15.62438590
  H     18.93191114      7.21063488    -14.56158332
  H     13.25907706      7.68759106    -16.57334625
  O     13.72056365      8.51035132    -16.76895275
  H     15.98229485      5.74374812    -16.35692640
  H     13.15734871      9.25526952    -16.50898165
          69
 Energy    -248.17993070164403     
  O     12.10665788     10.60842727    -14.82155111
  H     12.43028618     10.76871859    -13.92523701
  H     15.26567297      6.31731355    -10.86738185
  O     13.98114689      5.62118912    -11.95010013
  H     12.89046192     10.59015229    -15.38452209
  H     14.66820886      8.32094721    -13.66670747
  O     18.26473088      5.45029220    -11.01612403
  H     13.08475135      5.28843743    -11.82444830
  H     13.61780461      8.91760963    -12.71141904
  O     13.30432503      4.52979683    -16.04145104
  H     13.90550136      6.50910109    -12.33547911
  H     14.97295497     10.78566345    -16.94786885
  O     13.69520259      7.45203184    -16.65248659
  H     18.81499513      6.15489351    -11.37710372
  H     15.15830062      9.90446804    -15.69119803
  O     14.46048909      8.90644912     -9.27913181
  H     17.47703998      5.88304184    -10.65834961
  H     10.79406777      4.10346567    -11.54662819
  O     19.56859018      7.54998678    -12.53043422
  H     14.03207249      4.38183419    -15.42245632
  H     11.16256253      4.85804298    -12.84979872
  O     11.61229683      7.91286320    -14.64462544
  H     13.50410208      5.35259020    -16.49800656
  H     10.78800598      7.80534832    -12.80173035
  O     17.88360891      3.72889345    -13.07827879
  H     12.90587410      7.48582935    -16.09898531
  H     10.83477569      6.67569582    -11.75775880
  O     18.75481982      5.99365261    -14.59937386
  H     13.94313666      8.37784944    -16.77259366
  H     16.18295158      4.09398679    -13.73607377
  O     16.18720134      6.57852337    -15.66144706
  H     13.51619643      8.98469428     -9.46170248
  H     14.87338577      4.80773575    -13.29663607
  O     15.92185362      6.86108045    -10.41042672
  H     14.86667023      9.68425443     -9.67888951
  H     11.05033871      6.08558417    -14.68857919
  O     13.90764614      8.09153922    -13.12093241
  H     20.50132203      7.73334167    -12.60128469
  H     11.77416996      4.78771443    -15.09014669
  O     14.51612891     10.18322469    -16.36575228
  H     19.32131039      7.03734160    -13.32136908
  H     11.04398684      9.69204646     -9.50323567
  O     11.28044009      4.85153460    -11.88089200
  H     11.55030713      8.86302315    -14.82184681
  H     11.34459006      8.73487174    -10.67918965
  O     10.71835366      7.62926002    -11.85789859
  H     12.41848129      7.81869749    -14.11280237
  H     16.33759012      8.18009239    -14.90401208
  O     15.36348738      4.48279295    -14.06531658
  H     18.29067703      2.88563197    -12.89926934
  H     16.60059627      9.04739817    -13.63160641
  O     11.05709013      5.13246745    -14.53827186
  H     18.00242755      4.27576860    -12.28090976
  H     14.03594838     10.86443563    -11.77818575
  O     11.74062118      9.39512176    -10.08289843
  H     18.54260167      5.14302676    -14.19354949
  H     12.62116292     10.33867906    -11.41246587
  O     16.17761830      9.04692453    -14.49940865
  H     17.99236068      6.22147405    -15.14514306
  H     16.25339909     11.67949058    -10.64470182
  O     13.18228197     10.61041841    -12.15195205
  H     15.38689500      6.83762715    -16.13634449
  H     16.31148706     10.27313907    -11.28229568
  O     15.70972689     10.94782171    -10.92628115
  H     15.92429840      5.84680308    -15.08267632
  H     18.08268780      8.51531084    -12.08660985
  O     17.19114516      8.84389472    -11.91310708
  H     15.42559598      7.49822785     -9.87632247
  H     16.72055208      8.14012170    -11.44154719
          69
 Energy    -248.17983548131363     
  O     -3.80560120     -1.29876412      1.06289103
  H     -4.12942700     -0.39954194      0.89224956
  H     -1.81090940     -2.78257200      3.10458451
  O     -1.05275701      2.74730744      2.06623196
  H     -3.55462768     -1.63608529      0.19393505
  H      2.96197636     -1.96222947      2.23806387
  O     -0.47631981     -1.59421933      4.20475268
  H     -1.81815342      3.26392432      1.78711514
  H      2.60564887     -0.73725696      3.15028500
  O      2.03178722     -3.15864393     -0.68588122
  H     -1.37125000      1.84551724      2.22031179
  H     -0.25851781     -2.13889012      0.34701406
  O     -2.18162064      0.70242546     -1.76482070
  H      0.29576613     -1.09805799      4.50409487
  H     -1.20681828     -3.23950577      0.84569734
  O     -4.12022292      1.27678045      0.26373188
  H     -0.99159685     -0.95488501      3.69137480
  H     -0.92903456     -0.14662287      1.86540387
  O     -1.85359606      3.54236421     -1.47347577
  H      1.07785775     -3.25821329     -0.57376288
  H     -2.47044348     -0.30075352      1.96105802
  O      0.63712161      3.08020402     -0.15272725
  H      2.41308050     -3.43030703      0.15780477
  H     -1.98416561     -2.44170326     -1.05262292
  O      2.90320484     -0.85641181     -1.88619729
  H     -1.21393202      0.67455191     -1.74302140
  H     -3.08412225     -2.74826649     -2.09650309
  O      0.58577459      0.69931819     -1.52559313
  H     -2.46096193     -0.21954880     -1.81461824
  H      2.04401509      2.61420183      2.67507557
  O      0.44080752     -0.60707251      0.90676943
  H     -3.46606649      1.13867223     -0.43544549
  H      0.54219967      2.54668844      3.02132274
  O     -2.24185223     -3.27870460      2.39968620
  H     -3.98310901      2.17893127      0.56954677
  H      3.47289158     -4.46664393      2.27339214
  O      2.87411635     -1.00093776      2.26090134
  H     -2.04864288      2.63791566     -1.75107874
  H      2.02980419     -3.93679330      2.45117874
  O     -0.69791528     -2.95978136      0.07334947
  H     -0.93182202      3.53635568     -1.18440224
  H     -0.30347515     -4.38292392      2.96584150
  O     -1.70562856      0.08836506      2.40060083
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  H      0.27663817     -3.18026083      3.70110082
  O     -2.76468387     -2.07499893     -1.50088683
  H      1.51322254      3.23674913      0.21965734
  H      1.66307628      0.84987107      4.23292228
  O      1.42071056      2.30484601      3.34263898
  H      2.60761473     -1.68775048     -1.47494347
  H      2.23218111      0.19366481      5.51365572
  O      2.87145027     -3.78528112      1.98490939
  H      3.37332327     -1.09820775     -2.68009946
  H      3.66094221      0.20289787     -0.48811511
  O      0.52150765     -4.03110618      3.30596608
  H      0.75688582      1.57090925     -1.13727553
  H      3.65572530      0.08994620      1.04669058
  O      1.83629005     -0.00514063      4.66935007
  H      1.41973234      0.28666707     -1.77955833
  H     -2.81398457      3.91802864     -0.04253566
  O      3.88289505      0.68408100      0.31654271
  H      1.30418370     -0.69660020      1.32667669
  H     -3.75897900      4.78723576      0.82126177
  O     -3.25663981      3.97722355      0.82336786
  H      0.54015695     -0.11005460      0.08495305
  H      3.85525173      3.71941646      1.18658083
  O      3.11015289      3.12538944      1.16221212
  H     -2.93257556     -2.69233041      2.05984436
  H      3.44045704      2.27045208      0.83138885
          69
 Energy    -248.17956874786742     
  O     13.10313435     11.75467479    -17.49299037
  H     13.87145080     11.49819365    -18.01631578
  H     18.86554071      9.28580922    -13.01563763
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  H     15.68008650     11.35573947    -15.80388196
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  H     16.75375292      6.18370349    -11.74715248
  H     16.18239960     10.84279774    -17.18503581
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  H     16.49388836      5.53172042    -13.13015892
  H     15.55726731      8.51298237    -13.88110696
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  H     14.63433593      7.85767610    -12.79969466
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  H     17.82315631     11.66285601    -15.34487610
  H     11.97560320     10.42686198    -17.56943031
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  H     14.76062332      5.51147158    -14.97569437
  H     10.64666833      9.82818951    -18.09143024
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  H     14.87294584      8.35127533     -9.85472898
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  H     15.10496386      9.81794484    -10.23664205
  H     17.04085528     12.74907771    -13.57091170
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  H     14.07911387      5.65877135    -12.89767020
  H     19.63828106      7.16468648    -14.12893501
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  H     18.27933232      6.99883951    -13.40797150
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  H     12.43617215     10.32059964    -12.60035267
  H     17.22972118     10.42245773    -11.70344433
  O     11.45874776      9.60417005    -17.64542674
  H     12.97278567      8.63986011    -18.30171446
  H     15.82766361      9.88708430    -12.03845801
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  H     15.64968344     10.60311159    -19.70481265
  O     16.18726448     12.85607171    -13.13700068
  H     14.87523058      6.37697024    -10.81015027
  H     14.88819052      9.68231483    -18.72216138
  O     18.81333921      7.60798105    -13.94955641
  H     15.54354415      5.92017568     -9.49086810
  H     11.39571338      9.97434805    -10.25091963
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  H     12.82104371      9.44770431    -10.52131896
  O     15.37408543     10.52334252    -18.79573812
  H     16.57688973      9.24725763    -15.70568832
  H     13.69335399     11.62295398    -14.46581873
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  H     13.54654090      7.36822693    -15.68063585
  H     14.89698546     12.58287592    -14.34390221
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  H     15.10284306      7.39372527    -15.88146413
  H     12.30919300      9.13893775    -14.63971399
  O     12.07209987      8.38021989    -15.19305926
  H     18.80158990     10.79530156    -13.31701907
  H     11.73337897      8.74421627    -16.02019181
          69
 Energy    -248.17935490262249     
  O     -0.39687917      5.26900449      4.13186150
  H     -0.32567619      6.21196210      4.00875856
  H     -2.83666004     -2.73394059      2.06318830
  O     -1.89867088      3.50588700      2.44397742
  H      0.37027141      4.86920636      3.68080075
  H     -1.17546677     -4.15635968      5.22567397
  O     -0.21822902      3.71931858      6.46167041
  H     -1.56809477      4.17401921      3.05444855
  H     -1.74348675     -3.17009674      4.18214917
  O      0.07676577     -2.97478635      0.05414445
  H     -1.19951160      3.37733543      1.78591954
  H     -0.30955303     -1.06963653      2.41555807
  O     -1.23934652      0.01448787     -1.74221538
  H     -0.31903321      4.32223600      5.71004532
  H     -1.30101643      0.12080016      2.71274189
  O     -2.47558727     -1.63262626      0.29441699
  H     -0.74834280      4.08229701      7.16739126
  H     -4.61320245     -0.31775149      2.55658422
  O     -2.17687081      1.14867453      3.90073920
  H      0.35975021     -2.94377082      0.97882956
  H     -3.68870496      0.09563264      3.72056547
  O     -4.75681101     -0.03490783      0.64669536
  H     -0.85867033     -2.73900942      0.04729297
  H      0.82369714      1.33313266      4.65982435
  O     -1.70354555      2.67734710     -1.61487296
  H     -1.73894100     -0.57460091     -1.16530688
  H      0.09502218      2.07186787      5.83005050
  O      1.37886975     -1.08253977     -1.38541459
  H     -0.33397471     -0.31889062     -1.74218830
  H      1.55271723     -2.17425547      3.17605305
  O      0.75018782     -1.40443568      6.03099811
  H     -3.33892711     -1.20014728      0.33539943
  H      0.22725825     -2.93413114      3.46270149
  O     -2.96195520     -2.84657767      3.00814696
  H     -1.90143434     -1.13446834      0.90110253
  H      0.49911733      0.40357549      1.14719546
  O     -0.99069090     -3.33452170      4.77854388
  H     -2.15463284      1.99127636      3.42688609
  H      1.50319955      0.19948546     -0.01312860
  O     -0.80580890     -0.33851652      2.02301085
  H     -1.43802195      1.16038914      4.52471206
  H      3.62815705     -1.66996908      4.65927936
  O     -4.37231484     -0.53923303      3.46401391
  H     -5.63261112      0.00889221      0.27190151
  H      2.14698885     -1.37285446      5.00367861
  O      0.16112179      1.23092164      5.35599161
  H     -4.38077937      0.86147750      0.58520925
  H      2.54109430      0.46159250      3.68545195
  O      0.75905967     -2.53311319      2.76111081
  H     -1.53627009      1.72107575     -1.69962120
  H      1.95553366      1.10518337      2.41482770
  O      1.30199748      0.76818271      0.73787926
  H     -1.84330987      3.01223422     -2.49644462
  H      1.18669978      3.88360677      1.89126012
  O      2.81916977     -1.31704868      4.29895669
  H      1.98637758     -1.45824969     -2.01637559
  H      1.91552874      3.17452984      3.05350991
  O      2.16176381      1.28095919      3.34425091
  H      0.97726232     -1.82744858     -0.90219178
  H     -3.19877402      2.86871022      1.20953711
  O      1.57278526      4.02950815      2.76554509
  H      0.04802590     -1.98925898      5.72317649
  H     -3.04652712      2.55524488     -0.28966747
  O     -3.62543496      2.41846374      0.47048000
  H      0.43338924     -0.49506725      5.92769625
  H     -0.47089533      3.19051001     -0.29675092
  O      0.09808525      3.22815560      0.48154355
  H     -3.52077349     -2.10044242      3.27803399
  H      0.57240072      2.38349293      0.50203845
          69
 Energy    -248.17931339365850     
  O     13.23368681     11.49593757    -15.29495482
  H     13.97293991     12.07294767    -15.06672984
  H     13.63500444      6.22474649    -16.17388128
  O     15.24682809      6.23846600    -13.43186565
  H     13.59530868     10.81184240    -15.87072893
  H     20.30344420      6.13510989    -13.51193324
  O     17.73842794      9.24390954    -11.23262231
  H     14.91520281      5.90830055    -14.28130758
  H     18.92606500      6.64373553    -13.02768767
  O     19.15282172     10.48551352    -15.90175159
  H     14.50119126      6.50261109    -12.87737515
  H     15.95524919     10.72866843    -16.92538543
  O     12.34537429      7.62631021    -16.51503121
  H     17.60589212      8.30714135    -11.43414002
  H     16.33178454     11.93899959    -16.04632687
  O     15.46124165      9.23321733     -9.52068512
  H     18.49585257      9.51433622    -11.77312947
  H     16.87746372      8.31862579    -15.08725458
  O     13.32131436      7.28987718    -11.72524777
  H     19.80606846     10.95965498    -16.41040335
  H     15.71161400      7.77092342    -14.22025713
  O     16.09105509     10.66803607    -12.94929419
  H     18.28404799     10.80664063    -16.20005068
  H     10.84866155     11.37055751    -13.23450112
  O     16.23004104      7.03234418    -17.65669479
  H     11.56075758      7.41669011    -17.01475563
  H     12.14473620     11.07189170    -14.02951985
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  H     12.06624962      7.74453361    -15.58940300
  H     15.94774760      5.79130037     -9.36312731
  O     18.38889294      7.79896025    -15.96662724
  H     14.81875834      9.65223737    -10.10897408
  H     17.16181864      5.11597098     -8.70629087
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  H     16.31729654      9.30172218     -9.96303935
  H     12.10532674      7.60833842    -13.16984306
  O     19.64984676      6.81461626    -13.65505589
  H     13.57036343      6.95618054    -10.85630308
  H     11.53275997      8.94071193    -13.69185616
  O     16.68375514     11.31649245    -16.69589804
  H     13.48702061      8.24438014    -11.69772976
  H     19.82313972      8.71580069    -13.32620401
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  H     16.69214899     10.33263263    -12.27242113
  H     19.49349290     10.05022926    -14.01213441
  O     11.59907881     10.78432403    -13.27467618
  H     16.06094485      9.97112306    -13.62415639
  H     16.75383887      6.33937403    -12.50030262
  O     16.81002742      5.39058208     -9.54968013
  H     17.05926665      7.21585604    -17.19461692
  H     17.39093161      6.05556695    -11.11079483
  O     11.65903450      8.01211190    -13.92373143
  H     15.74176334      7.86109638    -17.65407331
  H     14.50800695     10.33016385    -12.12170641
  O     19.68114226      9.65526937    -13.15305479
  H     14.81031563      7.66496598     -9.18589204
  H     12.95783445     10.38921363    -12.06595527
  O     17.53800013      6.50257353    -11.95540233
  H     13.84090430      6.79881591     -8.34432258
  H     15.84154959     12.12295183    -13.89525736
  O     13.73709205     10.05737001    -11.60406612
  H     18.86582762      7.35310704    -15.25471192
  H     15.86298484     13.65244536    -14.13960193
  O     15.62074122     12.82077558    -14.53751968
  H     18.76366855      8.68701203    -16.04377548
  H     13.74003371      8.81180036    -16.82046508
  O     14.51599477      9.38608794    -16.76545726
  H     15.09807465      6.00365034    -16.57977939
  H     15.02020854      9.07916464    -15.99370616
          69
 Energy    -248.17900293807392     
  O     16.49211656     10.02095908    -15.37152768
  H     17.16921166      9.84704006    -14.70943803
  H     18.41103454      3.32937371    -16.33070374
  O     13.23920481      4.73542907    -15.99255775
  H     15.65702647      9.67181034    -15.02235412
  H     17.89259569      7.90980762    -17.55334971
  O     18.19288200      4.63791826    -12.25365979
  H     13.55770530      4.02671392    -16.56507494
  H     18.62362182      6.58260381    -17.93122348
  O     18.50012512      5.07243471    -18.97829610
  H     13.53786898      5.55535290    -16.40363396
  H     17.47896886      6.32933635    -16.05228257
  O     15.78425779      5.01865207    -18.87841636
  H     17.76483997      5.49117488    -12.42884112
  H     16.85196142      6.28945056    -14.62621338
  O     14.77953601      6.81393132     -9.75990130
  H     18.95958142      4.60642971    -12.83795833
  H     14.09022821      8.12184724    -15.39995042
  O     14.05645164      4.44491416    -13.38564742
  H     18.79126509      4.91891466    -19.87312856
  H     14.07177098      8.22503222    -13.85933291
  O     16.95592794      6.96477047    -12.96616582
  H     17.52738765      5.02305179    -18.98669927
  H     14.04547339      3.45620896    -11.82301369
  O     16.63100171      3.17518673    -15.80152553
  H     15.35987765      5.72795192    -18.38290071
  H     13.63115473      2.44648819    -10.73084971
  O     19.97825879      7.52645382    -14.87565888
  H     15.34794897      4.20634726    -18.59122113
  H     19.92817781      4.36330684    -15.06980851
  O     14.62311114      2.79182486    -17.58634935
  H     15.40150644      6.06747479     -9.76599083
  H     21.13208665      4.38681779    -14.10552739
  O     19.27459854      3.69625380    -16.56443578
  H     14.82662244      7.19134489     -8.88597450
  H     15.82896907      2.49905064    -12.39305211
  O     18.54485432      7.26402192    -17.25126100
  H     13.67073338      4.52832726    -14.27031405
  H     17.06416601      3.35664608    -12.79327352
  O     16.79251617      5.91352168    -15.51434797
  H     14.91460060      4.01895476    -13.49863774
  H     17.12718555      4.56258643    -10.61072553
  O     14.15229784      8.74552073    -14.67056384
  H     16.03149083      7.11244218    -12.72707477
  H     15.75005900      3.94522590    -10.27374408
  O     14.38688568      2.87902314    -11.11994698
  H     17.40695637      7.81578027    -13.02292282
  H     15.16442535      7.73744300    -17.38528061
  O     20.25142977      4.73349507    -14.23004281
  H     16.66748339      4.14341647    -15.73748376
  H     15.39388514      6.56482276    -16.40783036
  O     16.39010447      2.74853735    -13.13461388
  H     16.57239547      2.84039776    -14.89580261
  H     14.09042091      6.16274377    -12.72516956
  O     16.39926546      4.59644790     -9.97921316
  H     19.60933606      7.49516796    -15.76953122
  H     14.31466452      7.05637245    -11.46430219
  O     14.73278650      6.96532424    -16.99726076
  H     20.11161063      6.61023401    -14.60689006
  H     19.00174814      9.82739975    -12.90934538
  O     14.24446865      7.07074672    -12.43035884
  H     14.46187620      1.87190258    -17.77718145
  H     19.08278865      8.67939160    -13.94790487
  O     18.46936044      9.25188384    -13.45138181
  H     15.35945581      2.82621410    -16.94942552
  H     16.34237469      9.74830996    -18.49155014
  O     16.45081223      9.04897682    -17.85343799
  H     19.14543154      4.12112977    -17.41969944
  H     16.49232862      9.47160921    -16.97369173
          69
 Energy    -248.17880024416928     
  O     11.46742594      4.33138382      0.96553993
  H     11.90794337      3.73671354      0.34781561
  H      5.86192361      4.12190732     -2.16156839
  O      7.72444808      4.10882923      3.69566982
  H     10.91735365      4.92237089      0.43688791
  H     11.23367629      4.00976455      4.08741295
  O      4.19287000      2.34641264      1.18703042
  H      8.67876523      3.97934305      3.72576023
  H     10.91746006      3.92505873      2.57818551
  O      7.51158897     -1.28298382      0.73648757
  H      7.56882856      4.60588540      2.88107038
  H      6.64820685      2.13321302     -3.08754376
  O      7.57947994     -0.31666069      3.42514971
  H      3.29968809      2.28285062      1.51301486
  H      6.50811149      1.00227946     -2.05925566
  O      9.41179869      0.30239058     -3.01550456
  H      4.77707009      2.26281476      1.96337158
  H      4.85330164      3.69551605      0.00945970
  O      9.80174400      1.09053865      2.76593376
  H      7.51180591     -1.07543583      1.67813230
  H      6.01889733      4.69941620      0.01841437
  O     11.38930471      0.23456438      0.72256335
  H      6.89363000     -0.65593064      0.33509169
  H      7.90976148      4.68559428     -3.00861443
  O     10.52159394      3.88272707     -4.73107309
  H      7.67553309     -0.77957562      4.25373012
  H      9.38027475      4.65168167     -3.57935712
  O      6.07021992      0.86198785     -0.27637494
  H      8.41481473      0.16016248      3.27384197
  H      8.90116065     -1.40945444     -0.27243291
  O     11.74792929      1.47181362     -3.90450754
  H      8.47134225      0.51785584     -3.12731393
  H      9.91062041     -2.37969851     -0.92213137
  O      6.20711525      4.02050375     -3.06792351
  H      9.48490029     -0.35719106     -2.31251436
  H     11.25621783      2.50745995     -1.10727760
  O     10.60185911      3.66510859      3.46167286
  H     10.13934441      1.92781024      3.10729198
  H     12.49770500      2.12518066     -1.89278169
  O      6.86128663      1.20579797     -2.93730258
  H     10.42949593      0.75693886      2.10610880
  H      9.27062442      3.40632405     -1.96839833
  O      5.31692423      4.33794397     -0.54024762
  H     11.79648581      0.89763425      0.15253441
  H      9.39617847      1.84745939     -2.03535981
  O      8.82729528      4.93862242     -2.83711875
  H     10.87451516     -0.34735559      0.15026013
  H      6.37284672      1.21214237      3.35294720
  O      9.68410204     -1.45570541     -0.85091619
  H     10.98936863      3.08064192     -4.45560917
  H      6.48854490      2.74587660      3.50928654
  O     12.21301090      2.36175957     -1.00786233
  H     10.71128845      3.99102602     -5.66016590
  H      8.69008877      1.88765850      1.48547616
  O      9.56323278      2.62446152     -1.48628771
  H      5.27171794      1.22500186      0.12267169
  H      8.73724376      2.39691980      0.01070711
  O      5.87216563      2.03250203      3.28962377
  H      6.80018814      1.37553080      0.10649322
  H      7.74040006      4.02779937      0.99125640
  O      8.16824391      2.29961001      0.78861167
  H     12.26866967      0.84969474     -4.40693272
  H      8.25838037      5.43293826      0.58221853
  O      7.53425536      4.97711322      1.02443060
  H     10.93930823      0.99850617     -3.64260665
  H      9.88288177      7.00454707     -0.59456840
  O      9.70053074      6.07326389     -0.49221791
  H      5.50809258      4.29477138     -3.65591922
  H      9.40293364      5.75170233     -1.35935627
          69
 Ord_Energy   -248.178528    
 O   -3.15853810       8.35548782       8.80762959    
 H   -4.05962038       8.03065395       8.97121906    
 H   -2.99892497       9.02946758       9.46310139    
 O   -5.71250963       7.31000233       8.83026123    
 H   -6.46782970       6.83129168       9.19867325    
 H   -5.97321033       7.60407352       7.94565535    
 O   -4.13215113       1.47910130       5.51344824    
 H   -5.02249146       1.43966985       5.88268995    
 H   -3.62207961       2.08248234       6.06788445    
 O   -6.38159990       9.14621639       3.62807202    
 H   -5.40804577       9.14882469       3.57485723    
 H   -6.66723680       10.0378437       3.44613791    
 O   -3.68845153       9.03978729       3.64762616    
 H   -3.12540984       8.65698814       2.96485829    
 H   -3.40653515       8.66282940       4.49159718    
 O   -3.19353342       3.66026187       1.04905748    
 H   -2.99307775       3.04894114      0.345226198    
 H   -3.68752337       3.15989208       1.72147202    
 O   -8.62401104       4.85255289       3.00731754    
 H   -9.52119923       4.94743395       2.69888639    
 H   -8.11136627       5.57168484       2.59560966    
 O   -2.23703384       7.75945997       1.58395326    
 H   -1.82530415       6.94144821       1.91725421    
 H   -1.61163628       8.16096115      0.987181187    
 O   -4.54227257       6.15595865       1.27575719    
 H   -3.82299304       6.80052185       1.28677332    
 H   -4.14240503       5.30591536       1.05054629    
 O   -4.67757463       4.70694828       8.15698433    
 H   -4.86786795       5.61221313       8.42383385    
 H   -5.53785038       4.29604673       8.00351238    
 O   -6.96330214       1.39529157       6.15779114    
 H   -7.18797255       1.71005070       5.26375675    
 H   -7.34339142      0.524282634       6.24101543    
 O   -4.65358162       2.59535146       3.07826662    
 H   -4.77451611       3.50100732       3.40267897    
 H   -4.37523031       2.07822180       3.84879255    
 O   -7.41915512       2.29407048       3.62030959    
 H   -6.52178431       2.32211518       3.26276493    
 H   -7.84581995       3.11565351       3.35165381    
 O   -7.82922220       5.66561604       9.56148624    
 H   -8.33301735       5.31167221       10.2899580    
 H   -7.73775101       4.94073772       8.92306614    
 O   -2.63866711       3.39156151       7.04802561    
 H   -2.01709914       3.13282943       7.72326183    
 H   -3.35524273       3.87986565       7.49552250    
 O   -7.27556038       3.79464936       7.56949949    
 H   -7.22075081       2.89718103       7.22058344    
 H   -7.29643774       4.37782764       6.79421902    
 O   -4.82119370       5.20833397       3.94003606    
 H   -4.77690840       5.67182922       3.09495020    
 H   -3.95337319       5.27699232       4.36058044    
 O   -7.16602898       5.37449598       5.33256197    
 H   -6.30687094       5.27914953       4.89075232    
 H   -7.82988930       5.22909927       4.64874315    
 O   -7.13793898       6.89222860       2.01628113    
 H   -6.95340014       7.66560936       2.56313062    
 H   -6.30071640       6.66041994       1.59270406    
 O   -3.36760569       7.73524952       6.12310457    
 H   -4.33334970       7.68777180       6.09652662    
 H   -3.13648772       8.01012707       7.02094984    
 O   -2.32618809       5.38949013       5.11317778    
 H   -2.33403802       4.68944359       5.77813625    
 H   -2.57896519       6.21876717       5.54588223    
 O   -6.20784664       7.82653904       6.12767649    
 H   -6.34883022       8.38756084       5.35614777    
 H   -6.62649775       6.97965145       5.91520929    
 O   -1.35792673       5.37933445       2.49899316    
 H   -1.86964178       4.69764805       2.04825163    
 H   -1.58542407       5.32597637       3.43867421    
          69
 Energy    -248.17837047588273     
  O     14.67093815      9.91969601    -10.51859406
  H     14.57413292     10.41957582    -11.34216892
  H     13.31531613      8.91501069     -9.85251373
  O     13.06391158     10.39119726    -16.30281662
  H     15.47874874     10.19585005    -10.07123895
  H     18.50440014      7.35842001    -15.19373682
  O     17.08293000     10.73682444    -13.83230522
  H     13.87005170     10.17635936    -16.78859443
  H     18.95066620      7.05798775    -13.75591463
  O     16.80499182      7.65180108     -8.55244812
  H     12.93483583      9.69535207    -15.64509729
  H     12.87988596     13.36507723    -15.10523451
  O     16.22321670     12.35401117    -15.99340666
  H     16.16525486     10.71992983    -13.52530953
  H     13.29605878     11.92951697    -15.51436948
  O     15.77239420      7.71293548    -11.91291352
  H     17.64672541     10.73052493    -13.05124837
  H     13.80349798      8.05128106    -14.40782429
  O     14.38375371     10.83431383    -13.07740711
  H     17.32722266      6.98359256     -9.02139457
  H     12.63088862      8.06680832    -13.41333834
  O     18.55290041      7.76968306    -12.06636670
  H     15.94773183      7.24935728     -8.37875325
  H     15.78354282     10.39803628    -18.52134749
  O     18.66591003     10.56087171    -11.47000686
  H     15.37041457     12.65643143    -15.65663251
  H     15.88568162     11.03298322    -17.11341726
  O     16.91514818      4.87941786    -14.06955788
  H     16.66844029     11.92987693    -15.24719168
  H     11.49953349      6.16869211    -12.17912305
  O     16.61231377      3.89362741    -11.59323367
  H     15.39734082      6.91313216    -11.52245483
  H     12.97322095      6.25656646    -11.73546882
  O     12.68784971      8.22909772     -9.57998507
  H     15.39564000      8.45682158    -11.42908599
  H     13.62722676      7.08315689     -8.66728034
  O     18.93890170      6.68967794    -14.65029953
  H     14.08034038     11.58585339    -13.60098118
  H     13.84469475      6.08951587     -7.49775573
  O     13.56214944     12.70948345    -14.99240627
  H     13.91397323     10.05473213    -13.40879768
  H     15.11488239      4.81484403    -11.12832915
  O     13.05452067      8.58888226    -14.10306707
  H     17.58459773      7.72218295    -12.03681169
  H     14.40818104      5.63480731     -9.99450422
  O     15.64101852     10.22205099    -17.59465941
  H     18.77420869      8.68816924    -11.88320587
  H     17.71836682      5.10396349    -10.55267090
  O     12.21277036      6.78555984    -12.02825417
  H     19.45175625     11.06263421    -11.26507128
  H     18.50472860      6.41063063    -10.76881671
  O     14.23145175      6.40757770     -8.30895052
  H     18.16307854     10.47495166    -10.64436713
  H     15.98303421      7.63969852    -15.09502939
  O     14.41896697      5.46086297    -10.94558334
  H     16.20700737      5.46912854    -14.35271332
  H     15.49922781      7.36304648    -13.65115129
  O     18.17772238      5.81012752    -10.08488652
  H     17.72759508      5.35125817    -14.30414777
  H     17.05786830      9.28400671     -8.94124855
  O     15.31166742      7.16817980    -14.58297058
  H     16.75186729      4.20861371    -12.50593024
  H     17.20941894     10.70679523     -8.35068506
  O     17.14467136     10.22878972     -9.17324229
  H     16.83375569      2.96656921    -11.58706684
  H     16.77611774      9.14306565    -16.52898662
  O     17.25433659      8.73741690    -15.79574746
  H     12.35709339      7.83500021    -10.39549193
  H     17.29283747      9.40642443    -15.09668958
          69
 Energy    -248.17836223341459     
  O     19.30135745      9.06831861     -6.98520457
  H     19.36116272      8.10643938     -6.87574806
  H     16.74150536      8.77902439     -8.98771252
  O     18.92380934      4.93971086    -10.69188858
  H     19.35143218      9.44614510     -6.10969235
  H     20.88655234     10.54966910     -9.64709269
  O     18.84303427      7.91399012    -13.35999718
  H     18.13771988      4.68663427    -11.20376721
  H     20.59088572      9.83854574     -8.29314111
  O     22.72398282      7.26267501    -12.54802738
  H     18.95200970      5.91041917    -10.67209645
  H     16.78088867      9.90408789    -12.64328561
  O     16.59474084      4.53565807    -11.95541921
  H     17.98931596      8.32042141    -13.54149765
  H     15.90576638      9.83196906    -13.91823167
  O     21.10741073      9.55049521    -13.10876675
  H     18.90915022      7.86730721    -12.39229970
  H     19.90457468      6.35148546    -13.35981308
  O     20.89812774      5.27610975     -8.67778615
  H     22.00246149      6.64140516    -12.75531085
  H     20.09876912      5.21437450    -12.34326993
  O     14.76805394      4.00114990     -8.30104147
  H     23.51261051      6.91436201    -12.95462688
  H     12.92798256      5.87203620    -10.30684629
  O     21.82668537      7.55350567     -9.90778169
  H     15.88069279      3.95375492    -11.67168155
  H     13.74591621      6.15600482    -11.58245582
  O     19.10002619      7.68506675    -10.61368234
  H     16.20207307      5.41464204    -12.04598684
  H     14.73859269      7.14024026     -8.79310575
  O     19.41054808      6.28277041     -6.68738373
  H     21.78550785      8.87870722    -12.97405155
  H     16.21071931      6.65222251     -8.83598807
  O     17.47152810      9.40976259     -9.07426659
  H     20.30946783      9.06308342    -13.35615968
  H     15.50017959      7.27147457    -10.92722065
  O     21.28276386     10.02980774     -8.93536822
  H     21.36276150      6.03129184     -9.07004003
  H     15.65371660      7.83736414    -12.37089155
  O     16.37270355      9.29410931    -13.28460933
  H     20.33262264      4.92417956     -9.37623495
  H     20.75223087     12.23272776    -11.49944778
  O     20.54738765      5.70115383    -13.04176797
  H     15.68471420      4.30097543     -8.25097396
  H     20.67279623     10.75332172    -11.93941951
  O     13.05545642      5.58384802    -11.21899410
  H     14.66441740      3.58145570     -9.16541622
  H     17.82372336      5.04145708     -9.14882433
  O     15.62865723      7.38974027     -9.07025502
  H     22.26291003      7.53345550    -10.76799512
  H     17.94105643      5.60068368     -7.71090468
  O     15.35916844      7.07270164    -11.86293899
  H     21.82842040      8.46092214     -9.56847762
  H     12.51376995      6.21961150     -7.72714430
  O     20.36441417     11.39148730    -11.27085918
  H     18.58843283      8.31997526    -10.10054010
  H     13.68569600      5.37417309     -8.28638425
  O     17.31089815      5.27911641     -8.36556410
  H     20.02772101      7.74506801    -10.34821701
  H     17.43269167     10.46404978    -10.55704115
  O     13.17966900      6.19885721     -8.40848209
  H     20.00258776      5.91133067     -7.36821787
  H     18.50106406     11.11820426    -11.44222585
  O     17.57303940     10.85566444    -11.43060337
  H     19.59254364      5.80766486     -5.88025654
  H     13.80611311      2.45143701    -11.38240847
  O     14.28995435      3.16608815    -10.97733978
  H     18.00022424      9.36796406     -8.26873394
  H     13.77193996      3.97760179    -11.12672454
          69
 Energy    -248.17810418754704     
  O      9.10378521     10.32127311    -10.40679246
  H      8.63112662     10.85936013     -9.77733348
  H     16.32904353      9.27996967     -9.82516031
  O     14.61104026      7.51393420    -15.95075962
  H      9.67208485     10.92909565    -10.90855099
  H     14.43714380      7.98878142     -9.99643880
  O     10.34702097      7.93334018    -10.74473920
  H     13.65692756      7.31719753    -15.92765436
  H     15.19452900      7.68107585    -11.29709541
  O     14.61725252      7.78327641    -13.13603239
  H     15.00983800      6.86917256    -16.52964351
  H     14.14355576     15.32236231    -13.81664991
  O     13.78579871     10.12803308    -16.91410436
  H      9.84693746      8.75594423    -10.60116961
  H     13.45977497     14.39849230    -12.78428409
  O     11.87496535      8.27065515    -13.10906032
  H      9.73626844      7.21192044    -10.61781915
  H     12.94901409      9.47594646     -9.95297569
  O     13.69868717      9.38568312     -6.96490389
  H     13.65975615      7.90437960    -13.04371091
  H     11.93024850      8.31794413     -9.79480193
  O     13.32870282     10.92316687    -10.89280444
  H     14.77300148      7.60404018    -14.07145451
  H     17.36766542     10.90870901    -10.99329411
  O     16.06766783     13.74410588    -11.43818639
  H     13.92469737     10.81880460    -16.25150036
  H     18.51003489     11.22284613    -11.99356329
  O     10.90194319     11.80235999    -11.84941375
  H     14.21859972      9.33124539    -16.58528001
  H     11.08791882     10.42739140    -15.22479649
  O     13.83912500     11.93556595    -14.75239590
  H     11.32219162      8.13757376    -12.33100436
  H     12.20627208     11.20678177    -14.49148134
  O     16.80999112     10.09452392     -9.61471569
  H     11.68677342      9.15207447    -13.46022209
  H     14.92238170     13.42146366    -10.12187562
  O     15.32340849      7.86196875    -10.35822507
  H     13.84155862      8.59127737     -6.45585733
  H     14.57159228     12.70988350     -8.77736776
  O     14.12730333     14.42516776    -13.49305179
  H     13.29842719      9.09591713     -7.80089197
  H     15.12050842      9.50478807    -12.99388941
  O     12.75537071      8.67063590     -9.44628441
  H     13.98789603     10.75457237    -11.57792182
  H     16.07078935     10.70267787    -12.61708995
  O     17.57939566     11.35239750    -11.83704842
  H     13.62854345     11.69384928    -10.39130632
  H     10.70041521      9.91213885    -17.77650506
  O     11.36312591     10.74759729    -14.35789589
  H     15.55658263     13.94154385    -12.23181703
  H     12.06341807      9.85643697    -17.04272171
  O     14.19010409     13.16735121     -9.53584018
  H     16.64362632     12.99870862    -11.64739381
  H     15.79282123     11.76878369     -6.76656831
  O     15.18648336     10.46645507    -12.92321023
  H     11.73959209     11.47096414    -11.48826398
  H     14.72967273     10.77770638     -7.29170653
  O     11.11155651      9.66338116    -16.95355611
  H     10.88833778     11.53032395    -12.77706588
  H     11.70940368     13.51903758    -11.57063936
  O     15.32549400     11.49988717     -7.55391801
  H     13.91771236     12.84775588    -14.44940924
  H     12.86807538     13.98584512    -10.65715408
  O     12.35094008     14.22795053    -11.43728699
  H     14.36441428     11.40220694    -14.13488749
  H     11.79120819      7.42536847    -14.78947170
  O     11.91072958      7.21022507    -15.72474365
  H     16.32985833     10.53927923     -8.90925917
  H     11.50188217      7.93593326    -16.21315606
          69
 Energy    -248.17787764547955     
  O     -6.32491773      3.22273395     -0.57883064
  H     -7.16492021      3.65923038     -0.46620374
  H     -5.06227995     -0.81322753      2.37190956
  O     -2.08107431      4.00420141     -3.28998884
  H     -6.10242585      2.81808358      0.27878841
  H      0.15366816      0.90855424      1.64589084
  O     -5.59936188      2.03324915      1.76833383
  H     -2.21203589      4.80305037     -3.79377599
  H      0.02356529      2.45194451      1.60462518
  O     -1.62130960     -1.93860763      1.32037786
  H     -2.67103926      4.05458839     -2.51696701
  H      0.05764468      3.45637167     -0.45227326
  O     -1.14432353      0.14079338     -1.80310848
  H     -4.74178657      2.13164090      2.19253098
  H      0.99980631      4.18707122      0.53997542
  O     -3.22108656      1.37477651     -3.59293367
  H     -5.83670308      1.10160417      1.86509680
  H      3.14437501      1.06554969     -0.57578385
  O     -2.56424442     -2.23448223     -1.41552606
  H     -0.76636824     -1.52032149      1.15864478
  H      4.03304337     -0.16177213     -0.25295326
  O      0.08438985      2.65123754     -2.12701286
  H     -1.94376069     -2.19280015      0.44870551
  H      1.91890905      1.92591630      2.47427035
  O      0.57340514     -0.39830953      0.43182112
  H     -1.70846539      0.62510354     -1.17377319
  H      3.08113997      1.40205870      1.61142513
  O      2.83486400      2.53463792     -1.46517980
  H     -1.49706846     -0.75877743     -1.82779157
  H     -5.96793243      1.78773206     -1.85150545
  O     -3.46500511     -0.65136441      2.93957230
  H     -2.52331225      0.85398339     -3.18441491
  H     -4.91709408      1.19091458     -2.83522722
  O     -5.93736700     -0.77817867      1.93945787
  H     -2.86221350      2.26725115     -3.66579230
  H     -2.71056445      3.04824427      2.30576513
  O      0.00016726      1.68706002      2.19932605
  H     -3.38630281     -1.78476921     -1.14867091
  H     -1.75882927      1.89438956      2.66914485
  O      0.09937573      3.85784033      0.42574074
  H     -2.82110850     -3.02041107     -1.89031713
  H     -5.17977880     -0.24179745     -1.21682482
  O      3.24589356      0.30154119      0.02006013
  H     -0.56256127      3.17397407     -2.61859003
  H     -5.23188807     -0.86710223      0.22906360
  O      2.84057906      2.09396434      2.24031259
  H     -0.23905163      1.74108527     -2.12538972
  H     -3.56523289      0.63799024     -0.17723798
  O     -5.71359337      0.98692959     -2.32332046
  H      0.11332471     -0.23518103     -0.40015269
  H     -2.77302123      1.52711542      0.82917991
  O     -2.69831461      2.12106190      2.59459300
  H      1.51689464     -0.26987477      0.26953875
  H     -1.53340906      4.46687678      1.09734329
  O     -4.70501096     -0.79470303     -0.57509260
  H      2.92823426      3.26161242     -0.83661475
  H     -2.96400349      4.50457820      0.55304432
  O     -2.88159695      1.31782367     -0.10563228
  H      1.94352104      2.60793266     -1.83080090
  H     -4.62845973      3.78722729     -1.00188316
  O     -2.45717252      4.55241515      1.37274261
  H     -2.79232051     -1.13069748      2.43197052
  H     -3.36309891      2.92936371     -0.81337921
  O     -3.66755900      3.80703043     -1.09221666
  H     -3.16802678      0.26142724      3.01182694
  H      3.39938244      5.05799874      1.08724855
  O      2.84464362      4.36464576      0.74118339
  H     -6.52395601     -1.32778928      2.45070057
  H      2.92094476      3.60856350      1.35107821
          69
 Energy    -248.17787364991992     
  O     12.87155696      9.42258567    -11.38363087
  H     13.41759084      9.86379079    -10.71810846
  H     13.15609494     15.03312274     -9.66309233
  O     12.57060770      7.10360087    -14.43336617
  H     13.47216431      9.00743391    -12.01169394
  H     10.60071402     12.21743914    -10.84493125
  O     11.03437218     11.19048737    -12.32029193
  H     12.43903995      6.64004075    -15.25617530
  H      9.78098889     12.37171085     -9.53861684
  O     14.51109767     10.68378496     -9.57220219
  H     12.18519420      7.99118529    -14.54977806
  H     11.63544753      8.67709541     -7.40579225
  O     14.80344050      6.27657026    -10.88029521
  H     11.66025040     10.52844865    -11.98243971
  H     11.71292274      7.26731483     -6.77313251
  O      9.09635516      9.59140787    -10.85557118
  H     11.58789938     11.92344999    -12.62711922
  H     10.26070079     10.56812454     -7.62893008
  O     12.91215199     13.18116693    -12.81699766
  H     13.91659042     11.23670810     -9.04562965
  H     11.72396571     11.02997398     -7.45832863
  O     16.16149549     14.55076513    -10.43565529
  H     14.63222819      9.83089772     -9.12898632
  H     14.63608996      7.47857992     -9.36973357
  O     11.05177838      7.68383861    -10.23653766
  H     13.91251520      6.02439259    -11.18415629
  H     13.68327268      7.92708630     -8.23678272
  O     11.73776260     15.05774211    -11.02478699
  H     15.28552107      5.46620455    -10.73626264
  H     15.64310935     11.63498491    -12.38340722
  O     14.77178690      8.08957038    -13.02329397
  H      9.66155982      8.83234183    -10.65180166
  H     15.10564057     11.67676120    -10.92012341
  O     13.78646153     14.77525663     -8.98111172
  H      9.56706797     10.10400314    -11.52180368
  H     11.19431771     10.08934657    -14.00998496
  O     10.45925542     12.79324879    -10.08075660
  H     12.59554146     13.94785754    -12.32567109
  H     12.38273704     10.25022600    -14.95734819
  O     11.91472849      7.75692159     -7.56583951
  H     13.72988338     12.89288114    -12.38551528
  H      7.82424600     11.13644142     -8.36328437
  O     11.11184664     10.31033943     -7.25560771
  H     15.94523019     13.75002582    -10.93832421
  H      8.77769652     10.52007935     -9.41786970
  O     14.53306202      8.11678991     -8.65411953
  H     17.09196770     14.48933369    -10.23291559
  H     13.40915575     12.23394124    -14.42906747
  O     15.30450702     12.22166989    -11.69698970
  H     11.26198313      7.60443823     -9.29757471
  H     14.51331553     11.19742276    -14.69966041
  O     11.68323821      9.63051835    -14.69875408
  H     11.72009874      8.27802520    -10.61280746
  H     16.84389600     10.23957544    -14.18100223
  O      8.73363535     11.11648856     -8.64820297
  H     11.19334461     14.35163967    -10.63842388
  H     15.63028220      9.56381142    -13.50191249
  O     13.66865936     11.52421381    -15.03050718
  H     11.16515875     15.81176881    -11.14412342
  H     12.27011888      6.18444912    -12.76235321
  O     16.01405489     10.42231389    -13.74716156
  H     14.93690916      7.46932170    -12.30055327
  H     11.72886742      6.33732941    -11.31940458
  O     12.32438192      5.81336822    -11.87337044
  H     14.10557579      7.69154358    -13.60115811
  H     11.92155762     12.46086953     -8.95684642
  O     12.67869763     12.35973542     -8.36571028
  H     14.65275084     14.77480395     -9.41186730
  H     13.14771593     13.20707869     -8.40619853
          69
 Energy    -248.17779965891984     
  O     11.41225798      9.05051452    -15.58319286
  H     11.15339906      8.54439049    -14.80466465
  H     16.72670879      6.06719807    -14.67849696
  O     16.53924257      7.14200237    -13.15698148
  H     12.11411145      8.54304900    -16.01531329
  H     18.19997269      9.88093112    -12.33817486
  O     15.17669748     11.42791752    -11.00835265
  H     15.96381505      7.75533770    -13.64344082
  H     18.89683554      9.01439146    -13.40581541
  O     16.89620603     10.98629975    -14.97291895
  H     17.28347210      7.67246599    -12.85319653
  H     14.05276739     11.43150756    -16.42684115
  O     13.95329477      5.05991443    -15.91897417
  H     14.51529695     11.29385870    -11.70035761
  H     15.59493242     11.38689401    -16.26291714
  O     14.20724608      9.54203672     -9.20257969
  H     14.91564789     10.85079015    -10.27821213
  H     15.64133095      9.60811770    -14.78651400
  O     14.49766543      6.57588221    -11.41817796
  H     17.70193951     10.49538261    -15.17930109
  H     14.54708243      8.56588505    -15.22591465
  O     13.41807996     10.63604283    -13.02062513
  H     17.01500653     11.31862996    -14.07388345
  H     11.32664934      7.92225477    -12.50816162
  O     17.62393771      7.93475470    -16.91783280
  H     13.56725812      5.18458338    -15.03264952
  H      9.93882404      7.34993816    -12.87236536
  O     15.88503898      7.20040197     -9.03695967
  H     13.61374443      4.23431906    -16.25313950
  H     19.24900102      7.30384188     -9.84281389
  O     19.17100055      9.31537939    -15.24614458
  H     14.79061054      8.78338345     -9.08177385
  H     18.53244728      8.19054392    -10.86554749
  O     16.70986313      5.71424454    -15.57848836
  H     13.48287836      9.23115253     -9.75883624
  H     13.41139751      5.75709330    -12.72401029
  O     18.57434512      9.00261381    -12.49538980
  H     15.23841626      6.71508869    -12.02773318
  H     12.11332706      6.14181769    -13.46513727
  O     14.87901061     11.29522096    -16.90600701
  H     14.87719960      6.64818463    -10.53486497
  H     16.66822128     11.53676105    -11.77287361
  O     15.00945233      8.94911178    -14.46958065
  H     13.98815007      9.99218454    -13.46996387
  H     17.96411097     12.35783549    -11.97028207
  O     10.80896521      7.51881035    -13.22557368
  H     12.98439307     11.12351904    -13.72894939
  H     15.20152907      9.89731753    -17.89295302
  O     18.41014329      7.72104549    -10.02659727
  H     17.31219781      7.10405020    -16.52679947
  H     15.39200834      9.24571152    -19.28399563
  O     12.87140947      5.54626851    -13.49639519
  H     16.90557284      8.28563639    -17.45342609
  H     12.80001992      9.34921855    -11.90364681
  O     17.49951410     11.58565885    -12.28072508
  H     16.77452373      7.39754419     -9.37474297
  H     13.23822304      7.92383222    -11.42487833
  O     15.39025865      9.05715184    -18.34947305
  H     16.00169157      6.76830242     -8.19431007
  H     11.97673391     10.68563322    -15.54453741
  O     12.52911329      8.58259986    -11.37637732
  H     18.65353545      8.76509934    -15.86422196
  H     11.71471382     12.19998717    -15.72647222
  O     12.38416026     11.56900725    -15.47593757
  H     20.01242059      9.47543681    -15.66445214
  H     13.77641861      6.80163057    -16.49266016
  O     13.64915086      7.75259525    -16.60355030
  H     15.81306440      5.38819082    -15.71601371
  H     14.21193622      8.06300430    -17.32412588
          69
 Energy    -248.17764137231637     
  O     -7.71096948     -3.85379998      5.22304549
  H     -7.73291952     -3.94239979      4.25912754
  H     -6.83330903     -0.56770810     -1.44549844
  O     -9.60439589     -1.88031348      2.49804844
  H     -7.57929466     -4.73396623      5.57107170
  H     -4.96289574      1.56638563      2.25324479
  O     -7.97912649     -4.03229355      2.41057225
  H     -8.91245527     -1.33765255      2.91184080
  H     -3.61151335      2.05964937      2.83669350
  O     -6.17596413      1.87054984      0.92991031
  H    -10.39842369     -1.77503126      3.03678787
  H     -6.76006909     -0.60163418      3.66053771
  O     -6.03263898      0.53206414      7.24913743
  H     -8.31991833     -4.75499971      1.88906625
  H     -7.93325677     -0.08276394      4.56275890
  O     -5.96757993      5.94508595      2.83998131
  H     -8.63905630     -3.31722574      2.36778666
  H     -5.32360705     -1.70120502      5.25417337
  O     -9.36367620      0.01248202      0.41276219
  H     -7.02787747      2.01272771      1.36219012
  H     -6.41053188     -2.56110822      5.91475502
  O     -9.71059589     -2.07923631      6.28441902
  H     -6.28023952      1.08978653      0.37285420
  H     -3.00765759      4.07385228      3.35789462
  O     -4.99202877     -1.16224731      3.58511406
  H     -5.89330681     -0.36584030      6.89700594
  H     -1.66141940      3.79432280      2.64418502
  O     -4.80842180      4.36343248      0.94514688
  H     -5.70139762      0.53267277      8.14315941
  H    -10.17802537      1.62384688      3.66495637
  O    -11.64701984     -1.29754934      4.28667844
  H     -6.16026200      6.81684684      2.50614723
  H     -9.99234512      1.13314380      5.11147974
  O     -6.85470744     -0.48715035     -0.49510921
  H     -5.59133139      5.43643996      2.09979447
  H     -6.51448861     -3.02689921      1.59599671
  O     -4.32572921      1.42439735      2.96798566
  H     -9.59502011     -0.70203562      1.02066220
  H     -6.16833242     -1.82915418      0.67122039
  O     -7.67842538     -0.30869073      3.65753706
  H     -9.28534531      0.80444643      0.96121706
  H     -7.82320346      0.55429062      6.68464502
  O     -5.73658785     -1.90213685      6.10849833
  H    -10.42673490     -1.96186264      5.64813647
  H     -8.98682251     -0.44751281      6.37898085
  O     -2.59325783      3.59759743      2.61510378
  H     -9.10252133     -2.72573545      5.90612577
  H     -4.51156528      4.08065767      5.00227477
  O    -10.64527931      1.21670087      4.40053438
  H     -5.13832769     -1.65224258      2.76242575
  H     -4.67282058      5.32684340      4.10821677
  O     -5.79873572     -2.44532134      1.31615301
  H     -4.59837865     -0.30810324      3.36214275
  H     -5.65486133      1.86803284      5.97372570
  O     -8.63144651      0.43266686      6.17482002
  H     -5.28881661      3.53876170      0.79574968
  H     -5.13191021      2.05661451      4.51836160
  O     -4.01838922      4.80084871      4.58590522
  H     -3.97095414      4.11537281      1.35656608
  H     -8.35273796      2.70367740      2.88129430
  O     -5.53167353      2.51529721      5.27071292
  H    -12.59737626     -1.30709261      4.35773734
  H     -8.26967710      1.14671341      2.80242692
  O     -8.63451428      1.93170701      2.36239286
  H    -11.37201478     -0.36261768      4.32220728
  H     -6.95796365      3.41318506      4.46688484
  O     -7.59169044      3.86585087      3.89391681
  H     -7.78385040     -0.33575191     -0.24608473
  H     -7.13741143      4.64637779      3.55549850
          69
 Energy    -248.17746535409486     
  O      1.25573880      1.62522002      4.66016379
  H      1.90560602      1.87876103      5.31060174
  H     -5.36965274     -2.21681886      5.03391941
  O      1.36942625     -0.39086094     -2.84422580
  H      0.82376937      0.81585325      4.98982626
  H     -1.97639935      1.66697838      1.76600798
  O     -0.00345873     -0.67620248      5.29866671
  H      1.68427042     -1.22060149     -2.46702102
  H     -1.06069837      2.56538640      0.91178051
  O     -0.86233748      0.03284365     -1.20831055
  H      0.48716033     -0.25646804     -2.46905193
  H     -3.00211814      0.92962594      5.42226811
  O      2.24061643     -2.59932375     -1.17439324
  H      0.05969860     -1.31491896      4.58269890
  H     -3.42802892     -0.56233313      5.15177332
  O      3.32627067     -0.50770266      0.17512714
  H     -0.94658055     -0.47101019      5.38972671
  H     -3.02124412      1.87562738     -0.23713274
  O     -4.48012537      2.51363129      2.87446058
  H     -0.34773215      0.67396348     -0.69969475
  H     -3.72738147      0.51993448     -0.43260204
  O     -2.50348829     -3.21848394      3.25200637
  H     -1.75568358      0.39697540     -1.26853606
  H     -2.36073820      0.14373977      3.40031533
  O     -1.02536171      3.24887497      4.05408535
  H      2.89532829     -3.26990194     -1.34901952
  H     -1.38400559     -0.60221072      2.46955406
  O      2.69367714      1.64722669     -1.61376806
  H      2.68450245     -1.89961588     -0.66151531
  H     -0.59126962     -1.56181148     -0.48475232
  O     -5.65218675     -0.02938154      2.77552610
  H      3.27789596      0.26837820     -0.39675550
  H      0.53082821     -2.63188697     -0.47657022
  O     -4.66669523     -1.78661631      4.55492319
  H      2.84986599     -0.27067606      0.98161611
  H      1.05820284     -0.56208244      2.44763367
  O     -1.89940709      2.56137706      1.39181994
  H     -4.17841229      2.68343858      3.77563494
  H      1.58066326      0.75969075      3.06667307
  O     -2.67765708      0.04193047      5.22384048
  H     -3.73994445      2.74482606      2.30465517
  H     -3.45384156      3.43122331      6.11843310
  O     -3.30300160      1.24744579     -0.91015067
  H     -3.25200588     -2.78436130      3.67816616
  H     -2.43912137      3.00588745      5.02618525
  O     -2.08298599      0.06057584      2.47861938
  H     -2.77578592     -3.42208501      2.34850545
  H      1.32150928      2.01473579     -0.37154928
  O     -0.33283139     -2.41585674     -0.10352799
  H     -1.23236113      3.14812173      3.11734452
  H      0.93299276      1.36349979      0.98014980
  O      1.58042011      0.22760545      2.26035466
  H     -0.21935037      2.74551269      4.22008049
  H     -0.92257155     -2.49529962      2.97306966
  O     -3.27600029      2.76204491      5.46352282
  H      2.25672590      0.96723875     -2.15760590
  H     -0.10035221     -2.20193760      1.69422467
  O      0.59798547      1.91734654      0.26019157
  H      3.18226280      2.20707402     -2.21078029
  H     -3.04346410     -4.23875075     -0.16472592
  O     -0.15807323     -1.99637265      2.63845818
  H     -5.30637013     -0.37899014      1.94352541
  H     -1.94015511     -3.20736405      0.15976839
  O     -2.83435355     -3.49984289      0.40154900
  H     -5.35393055      0.89040573      2.81517617
  H     -3.37075530     -0.59880896      1.35007126
  O     -4.01794809     -0.93060001      0.70807871
  H     -5.08780708     -1.16746778      3.93018701
  H     -3.75275156     -1.83369799      0.50468087
          69
 Energy    -248.17736234439440     
  O     13.54032715     11.04383870     -8.93279989
  H     13.60256355     10.83720092     -8.00418045
  H     11.18463169     13.67513391    -13.29173907
  O     10.84016160     11.14357286    -15.45167750
  H     14.04236374     11.86759283     -9.07264699
  H     15.81020100     13.15809318    -16.22297426
  O     14.46557326      9.26826256    -11.02494762
  H     11.07026580     11.40646496    -16.35059379
  H     16.78793135     12.90390980    -17.39560187
  O     18.31325830     13.66111060    -12.99072535
  H     10.71035713     11.95750512    -14.94372364
  H     13.19220068     13.25556213    -12.49199072
  O     11.44718379     11.64597075    -10.68696866
  H     14.26964662      9.83687712    -10.27137883
  H     12.98257550     14.53372638    -11.65514576
  O     11.90317563      9.21788487    -12.10881862
  H     13.60448163      9.03242861    -11.39502563
  H     12.06365713     13.64601570    -16.75831426
  O     13.21426524     10.16125996    -14.38767330
  H     19.24733865     13.84951766    -12.95778812
  H     11.48798880     14.18448741    -15.43158990
  O     14.34431035     15.62351387    -10.97794375
  H     18.19953599     12.89847753    -13.58665654
  H     14.13259291     11.48944364    -13.59254056
  O      9.55422475      9.50334960    -13.53951839
  H     12.05626147     11.41662444     -9.97388514
  H     15.18313894     12.15260888    -12.61159865
  O     14.77938108     14.17970039    -15.22731341
  H     11.81580224     12.43303150    -11.11473642
  H     17.27885523     11.67341614    -15.25629380
  O     14.16106799     10.69233783    -17.00360024
  H     11.07884165      9.09037352    -12.59952694
  H     17.34394107     10.75994364    -13.99586306
  O     10.46780191     13.43148164    -13.89646523
  H     11.77869152     10.04369881    -11.62127903
  H     11.79798508     11.91895296    -18.76717013
  O     16.33724822     12.47469279    -16.67256361
  H     12.89618169      9.68354661    -13.61182405
  H     12.78005661     11.56627247    -17.62276383
  O     12.51135546     13.80175402    -12.06817441
  H     12.41355464     10.52180578    -14.79831857
  H     15.88602044      9.40188416    -12.02639388
  O     12.17245313     14.33736275    -16.09263150
  H     14.98160296     15.59356762    -11.71399239
  H     17.23065097      8.76818559    -12.43310632
  O     14.47135556     12.32268264    -13.23719095
  H     14.31073345     16.52988378    -10.68423244
  H     16.82596617     11.19821177    -11.63757862
  O     17.80601519     11.45519957    -14.47705905
  H      9.90327568      9.92925252    -14.33456052
  H     17.27847956     12.67706428    -11.81524754
  O     11.97427195     12.06792939    -17.84250108
  H      9.18627557     10.22475982    -13.01526337
  H      8.27938555     12.06076427    -11.36762545
  O     16.71263883      9.56521043    -12.51564092
  H     14.68954147     13.52129299    -14.51987472
  H      9.79494950     11.77148831    -11.41828938
  O     16.64111922     12.10660256    -11.36640298
  H     13.88719514     14.34887492    -15.56239458
  H     16.88318796     14.93425094    -13.04160710
  O      9.00090475     11.88535449    -11.96692125
  H     13.97804340     10.35145408    -16.11836285
  H     15.63090174     15.19373774    -13.89772862
  O     16.06949565     15.45065896    -13.07544564
  H     14.95920594     11.22990325    -16.93030273
  H     14.74611367     14.09434375     -9.88075803
  O     14.97919063     13.24698581     -9.48649018
  H      9.79474566     13.02340133    -13.33831010
  H     15.63845699     12.85385231    -10.07804197
          69
 Energy    -248.17729508368541     
  O     13.10039922     12.09349322    -15.22402087
  H     14.03415429     12.26978112    -15.37737282
  H     18.34033548      6.28708936    -13.86842547
  O     14.31083076      6.88638378    -13.17543033
  H     12.91979406     11.24585304    -15.65756615
  H     16.11117071     10.90870034    -17.00010127
  O     17.94923804      9.22692930    -12.09819568
  H     15.06320830      6.69755425    -12.60292766
  H     16.78324885      9.54583293    -17.28767888
  O     17.43896713      8.12848191    -16.28066656
  H     14.61860729      7.58391663    -13.77555484
  H     14.44286177      9.16725226    -15.37118017
  O     12.10935179      7.26337329    -14.87954480
  H     17.30093496      9.85519515    -12.44426306
  H     15.92184734      8.64505758    -15.37442752
  O     15.65088307     10.07618286     -9.15915751
  H     18.21844103      9.55176026    -11.22626255
  H     12.26190413     11.96354077    -13.71254485
  O     12.99940168      8.14580176    -11.08124046
  H     18.13424842      8.13955088    -15.61016356
  H     11.14535290     12.48589370    -12.77914740
  O     15.94495480     10.85008079    -13.12368227
  H     17.16271140      7.20746997    -16.38443301
  H     11.52301721      8.67364074    -12.20171737
  O     13.92169194      6.35609231    -16.95930511
  H     12.81155460      6.92130282    -14.30888616
  H     11.21384187      9.93641644    -13.01410759
  O     15.01645556      7.27444467     -9.29138930
  H     11.56777914      7.81596523    -14.29399021
  H     18.84306886      8.45360038    -13.39543626
  O     16.41090974      5.52252329    -16.26310338
  H     15.03689871     10.47165352     -9.79042540
  H     20.19190247      8.08955996    -14.05882345
  O     17.70793541      5.58303453    -13.67772634
  H     15.40748452      9.14455524     -9.09370039
  H     16.99857692      6.21244255    -12.15038057
  O     16.18906457     10.21180009    -17.66187791
  H     13.37946633      7.69815317    -11.85222943
  H     17.01717044      7.66655850    -11.63332264
  O     15.17802303      8.88971651    -14.81033855
  H     13.49539025      7.81454230    -10.32391095
  H     17.39402509     10.21280880     -9.37146273
  O     11.80299554     11.80131763    -12.86922661
  H     15.27173602     10.94020971    -12.43626062
  H     18.78300765     10.68433471     -8.90328816
  O     11.05858333      8.98529419    -12.98940337
  H     15.64311183     10.13056043    -13.70299024
  H     14.87750860      9.27408105    -18.34505602
  O     19.24828280      7.97927244    -14.14216813
  H     13.96786311      7.08900577    -17.58589785
  H     13.99131720      8.84414684    -19.53953802
  O     16.59420400      6.80718787    -11.50111326
  H     13.19277031      6.55063103    -16.35886251
  H     13.16477360     11.26514119    -11.72140890
  O     18.34200138     10.19544487     -9.59181149
  H     15.61128052      7.03052692    -10.02104233
  H     13.57414144      9.87424320    -11.20200116
  O     14.12456263      8.71313618    -18.60471892
  H     15.11683546      6.60407409     -8.62037966
  H     16.04735436     11.82817109    -14.64800812
  O     13.87511547     10.79227986    -11.26970291
  H     15.48933815      5.76716262    -16.45765900
  H     16.49456524     13.01556990    -15.52599721
  O     15.97609860     12.21403139    -15.53666117
  H     16.59908128      4.74814008    -16.78790748
  H     12.47939857      8.77701737    -15.84493904
  O     12.86041925      9.55655047    -16.27284979
  H     17.18250513      5.48070646    -14.48027744
  H     13.13497695      9.30436059    -17.16334898
          69
 Energy    -248.17704156773527     
  O     15.59770117     10.92654270    -15.63182534
  H     15.16680776     10.65425171    -16.45038098
  H     16.01818304      7.11003610    -15.73862058
  O     15.47788627      5.18336169    -13.61910805
  H     14.92575833     11.05823535    -14.94753611
  H     18.21689953      3.69539373    -12.87768593
  O     18.72141366     12.61352845    -10.30726470
  H     15.44492309      5.45995235    -14.54744563
  H     17.13459687      4.70051696    -13.34236262
  O     19.41292899      8.30312244    -15.15750296
  H     15.24905671      5.96423752    -13.10599240
  H     19.01146627     10.82920306    -16.59713960
  O     13.35720502      7.94321241    -16.28138540
  H     18.62737727     13.49892635     -9.96326677
  H     20.07416451     10.67524881    -17.71240835
  O     18.85860591      8.69396710     -9.66213364
  H     18.16808772     12.04730492     -9.74973496
  H     16.34231921      9.34866638    -15.07533903
  O     15.25797430      7.86736632    -12.38389047
  H     18.45776878      8.36582953    -14.99532794
  H     16.24222237      8.30054052    -13.92985812
  O     18.38023561     11.22903510    -12.68610141
  H     19.59622575      8.91163691    -15.88253081
  H     13.41839594     10.17849889    -13.49726810
  O     19.17494896      5.58540797    -15.65020585
  H     13.66836435      8.60507061    -16.91004572
  H     14.52975746     10.93075302    -12.73532573
  O     12.84205164      8.34688129    -13.66411095
  H     14.02407183      7.24254506    -16.30836298
  H     17.98496379      6.06022494    -11.99527909
  O     17.73021918      5.91186024    -17.91521954
  H     19.48124231      8.97382533    -10.34219188
  H     16.88816918      7.12348749    -11.73456524
  O     15.60727225      6.32853178    -16.14115453
  H     18.42544526      7.92182985    -10.05214962
  H     19.80229682      8.63114533    -13.39159636
  O     18.08597748      4.59713769    -13.16048953
  H     15.49468723      8.73318210    -12.01433576
  H     19.04252852      8.12036592    -12.15730911
  O     19.41071785     10.19660165    -17.22369288
  H     14.37697468      7.97135186    -12.77156784
  H     16.81327277     10.56115319     -8.10374122
  O     16.68210051      8.49825948    -14.76386801
  H     18.89300397     10.41285433    -12.59671889
  H     17.75648682      9.94883166     -9.16732939
  O     13.90617240     11.01055782    -13.46886313
  H     18.60571862     11.80169568    -11.94018087
  H     17.41759443      7.78889880    -18.20297375
  O     17.78669870      6.86405853    -11.49843220
  H     19.40520402      6.50636307    -15.45879415
  H     17.95783647      9.22029945    -17.96591348
  O     19.67693027      8.79070391    -12.44580724
  H     18.86358853      5.20928844    -14.81981347
  H     16.74801862     10.68771022    -12.08044517
  O     17.12534489     10.67200125     -8.99759178
  H     11.94958727      8.06554260    -13.48147066
  H     16.18763741     10.51684828    -10.65383787
  O     17.19037647      8.72319218    -18.27481377
  H     12.98616258      8.21833991    -14.61919589
  H     18.35259369     11.68548934    -14.48235338
  O     15.97127900     10.38876335    -11.58408884
  H     18.28888701      5.74623275    -17.13399092
  H     17.26158077     11.64189369    -15.56311178
  O     18.20806647     11.79577474    -15.43117531
  H     18.00114534      5.28894226    -18.58374875
  H     15.57504091      9.36898163    -18.14705297
  O     14.69314340      9.76318318    -18.01674099
  H     16.21013092      6.04558026    -16.83759573
  H     14.43696679     10.14366110    -18.85244846
          69
 Energy    -248.17686527111161     
  O     15.53529257     12.77068469    -13.40643836
  H     14.63030217     12.85714435    -13.08247454
  H     12.92958534      4.84358934     -9.16568138
  O     16.41715665      6.63749508    -12.36214299
  H     16.02298330     12.35228846    -12.68332138
  H     12.59363494     10.90032630     -9.59882054
  O     12.11174327      7.45110892    -13.58768535
  H     15.55728312      6.19125823    -12.36117514
  H     13.96158205     11.60151723     -9.41041390
  O     11.74887107      9.28651046     -9.08909833
  H     16.72823624      6.62248520    -13.27205718
  H     14.68370999      8.60648548    -10.72444984
  O     19.03850456      9.76414960    -12.08365575
  H     12.41026067      8.37121017    -13.51390035
  H     15.57881841      8.24441128    -11.93169348
  O     14.96219076      8.31857675    -16.63285327
  H     12.16129951      7.22330137    -14.52346481
  H     13.93600732      5.53780175    -15.62963221
  O     13.14568852      9.94863018    -13.25838020
  H     11.02442707      9.37766309     -8.47521602
  H     14.37056225      5.03700039    -14.23952011
  O     16.57484994      8.63778733     -8.11479904
  H     11.44426452      8.68827856     -9.79427785
  H     16.84652141      9.68492137    -14.52000464
  O     16.92991272      6.52957824    -15.26825898
  H     18.57709257      9.54045229    -12.91275915
  H     17.47617999      8.28963398    -14.69660870
  O     14.12476960      7.81433125     -9.10850489
  H     19.89931498     10.09313912    -12.32762455
  H     11.56117880      6.62645210    -10.60093854
  O     17.97347665      7.82224212    -10.29983441
  H     15.70220357      7.78163740    -16.33461511
  H     11.28302416      7.42914569    -11.88617779
  O     12.96595967      5.46562656     -9.88724203
  H     15.07400589      9.18008280    -16.20600162
  H     13.27611060      6.24485826    -12.87044155
  O     13.10231275     11.67883177     -9.84962442
  H     13.79211044      9.62989400    -12.60779632
  H     13.56606630      5.35920124    -11.63077521
  O     15.02802592      8.94482760    -11.55936581
  H     12.92304078     10.85518342    -13.01319926
  H     13.45801131      7.43738322    -16.46206790
  O     14.65154999      5.08721431    -15.16356723
  H     17.10475964      8.35470449     -8.88181930
  H     12.18759591      6.81622613    -17.08994697
  O     17.62898663      9.15645788    -14.30902491
  H     17.10607915      8.47365725     -7.34030991
  H     15.97720743     10.46072344     -8.46051737
  O     11.09401369      7.39960103    -10.93949642
  H     17.60949434      6.02137854    -15.70518337
  H     16.10903058     11.43473774     -9.63508943
  O     13.86963127      5.56174264    -12.52330054
  H     16.13145811      5.97024344    -15.25330049
  H     14.49647235     10.24181276    -14.48580862
  O     12.70361281      6.84573083    -16.28877499
  H     14.91305045      8.10832347     -8.63315054
  H     15.47081504     11.41065335    -14.61556683
  O     15.64131585     11.29733818     -8.79875145
  H     13.39141430      8.41769359     -8.92662820
  H     12.18669499     13.27108181    -12.38594538
  O     15.27649911     10.53390044    -14.97691589
  H     18.43800480      8.48100318    -10.83163773
  H     12.94604321     12.31906276    -11.43124868
  O     12.84813763     12.58534242    -12.36437041
  H     17.50126743      7.26771144    -10.93392591
  H     17.58999393     10.84328787    -11.55142697
  O     16.71096425     11.19757092    -11.37482596
  H     13.44241168      6.24991690     -9.56261114
  H     16.10369519     10.44515953    -11.43698745
          69
 Energy    -248.17682273226353     
  O     17.14717341      9.62512051    -10.70722529
  H     16.57296750      9.07759593    -10.14691255
  H     12.37395215      7.70842318     -9.62001776
  O     13.69907207      5.58217031     -7.61032046
  H     17.17266845     10.49373804    -10.28973294
  H     12.74509653      9.41007746     -8.03696699
  O     17.08590214     11.90535454     -9.06057812
  H     12.94793001      5.63489306     -8.21331240
  H     13.21935349      8.98785023     -6.63067792
  O     11.73568677      5.95477541     -9.63656160
  H     14.45512530      5.36011662     -8.17019791
  H     18.40175718      4.63741998    -11.12250509
  O     15.90089302      8.36592078    -12.85156548
  H     17.12371111     12.85475658     -9.13739245
  H     18.50225256      3.44537856    -12.10006006
  O     19.37955984      7.96151696    -10.62528088
  H     16.36548605     11.70333355     -8.43523509
  H     16.73304121      5.33656990     -9.39582675
  O     20.61792957      8.56707428     -8.17177524
  H     12.12759969      5.81745656    -10.51758543
  H     15.59471797      5.37519320    -10.43452605
  O     18.54375754      5.52501613     -9.55682370
  H     10.83661453      5.64061092     -9.68373428
  H     19.53893454      7.21776032    -12.32618230
  O     12.88123150      5.89000576    -12.09367940
  H     16.36475419      8.87707032    -12.17488477
  H     19.10413350      5.85860632    -12.90250801
  O     15.29988483     11.11607034     -7.19897119
  H     16.47929360      8.32086647    -13.62778074
  H     18.39650321      7.60068944    -14.29954784
  O     13.21095301      8.70908438    -12.51266135
  H     19.91579367      8.19788592     -9.85779818
  H     18.15284237      8.26781224    -15.66597108
  O     12.81640657      8.56316075     -9.70928184
  H     18.65457128      8.60008589    -10.67604466
  H     15.60637694      7.15173831     -9.26621391
  O     12.91010333      9.74331435     -7.14522514
  H     21.48338877      8.81125652     -7.85556063
  H     14.58661242      8.32357382     -9.27295888
  O     18.23700022      4.35987286    -12.03932796
  H     19.99943246      9.25690983     -7.86872378
  H     18.01556286      9.69426877     -6.97245385
  O     15.77130445      5.37293122     -9.48386135
  H     18.79952549      6.34998677     -9.99544374
  H     18.25374057     10.89310214     -7.91697110
  O     19.41876634      6.73400100    -13.15500043
  H     18.65478659      5.70154404     -8.61164723
  H     13.96463585      6.78336263     -6.37170532
  O     17.73575410      8.07848088    -14.83065444
  H     13.79370700      5.60482944    -12.23232014
  H     13.77246560      7.17414898     -4.88903119
  O     15.52105818      8.10815856     -9.15997868
  H     12.86634894      6.82059270    -12.35043339
  H     15.82404705      6.52741732    -12.47460330
  O     18.70372335     10.26180707     -7.34341092
  H     15.77423032     10.39405168     -6.77552714
  H     16.51684685      5.13858861    -12.35255525
  O     14.11666866      7.49117842     -5.72004429
  H     14.38043189     10.81406276     -7.22003640
  H     18.03977723      7.17215285     -6.79788313
  O     15.67357617      5.59689918    -12.25725374
  H     12.86409247      9.29300235    -13.18231648
  H     19.48709339      7.23325556     -7.32157783
  O     18.78580425      6.62189721     -7.06113992
  H     14.16622010      8.63008311    -12.67834499
  H     16.25892157      8.43186079     -7.56049440
  O     16.56563657      8.51258205     -6.64279943
  H     12.89415197      8.73565957    -10.65591237
  H     15.83763334      8.16277950     -6.11356696
          69
 Energy    -248.17680955092840     
  O     13.65046527      6.02983020    -15.71538855
  H     14.09423445      5.23603743    -16.03810968
  H     19.65274902      5.58118149    -16.50348450
  O     18.61040842      7.57567833    -12.00372419
  H     13.89053934      6.73746236    -16.32645622
  H     18.94452191      7.63998092    -17.97385677
  O     19.11937555      5.83465278    -18.34832153
  H     19.37641157      7.52203655    -12.58531558
  H     18.08103427      8.16980684    -16.81304047
  O     16.39618988      5.69179564    -18.39610616
  H     18.05485981      8.27565884    -12.38610930
  H     17.04986558      6.65099799    -15.24476303
  O     14.61178232      9.35105080    -10.11223113
  H     19.47540085      5.37578724    -19.10434103
  H     17.02387831      8.12249586    -14.69772574
  O     14.19718255      6.60609804    -13.09490404
  H     18.15017755      5.74573083    -18.39791893
  H     14.64335539      9.69279042    -16.11506918
  O     17.02659411      9.33998004    -13.27716451
  H     16.00090367      4.98262534    -17.87157044
  H     14.45056181     10.12439000    -14.64370700
  O     17.19582352      4.81492426    -14.82343682
  H     15.85589855      6.46958035    -18.22806106
  H     14.90428149      5.75468977     -9.80658155
  O     13.53559834      6.68454847    -10.37199491
  H     14.49205380      9.97940194     -9.40499912
  H     15.61280463      4.68828798     -8.93445158
  O     19.69855020      9.94604616    -15.51647779
  H     15.47803183      8.93077043     -9.96758389
  H     21.49552063      7.86881012    -13.94941013
  O     15.33236618      3.87437410    -16.53852055
  H     13.95259388      6.35341071    -13.99711268
  H     20.25778485      8.56638796    -14.54815163
  O     19.73506371      5.40697836    -15.55766185
  H     15.06715906      6.23672722    -12.90032216
  H     17.41407773      6.21693153    -12.15062393
  O     18.61796744      8.45338876    -17.57094728
  H     17.22651778     10.13676947    -13.78247811
  H     16.43257945      5.32241442    -11.35006528
  O     16.99555487      7.58095634    -15.49495491
  H     16.07747486      9.35532935    -13.09267240
  H     16.64308819      7.06399731     -9.54007905
  O     14.78245846     10.42174449    -15.50199406
  H     18.14134256      4.89798669    -15.02212641
  H     17.65471718      7.89244905    -10.35238549
  O     15.76664294      5.34839325     -9.60416609
  H     17.06490545      4.91968715    -13.87131344
  H     16.61434940     10.50540522    -19.17237616
  O     20.55781890      7.76104668    -14.09284555
  H     13.56672171      6.58738702    -11.33468030
  H     17.30042262      9.28302537    -18.53747584
  O     16.71647552      5.55165745    -12.24286988
  H     13.72791314      7.61434662    -10.20041493
  H     14.29081593      9.49707009    -11.95575012
  O     16.94031591      7.96732701     -9.70832572
  H     19.48274381      9.50660477    -16.35193993
  H     14.17535830      8.39072108    -13.03266226
  O     16.46565764      9.59781629    -18.91911236
  H     18.97117185     10.55968568    -15.36546064
  H     16.39229458     11.13540751    -15.32706144
  O     14.29453083      9.34553641    -12.90947364
  H     15.22075422      2.93168491    -16.45295736
  H     17.19521585     12.40287781    -14.96179846
  O     17.27710956     11.45989572    -15.08055262
  H     16.01337384      4.14067832    -15.89402517
  H     15.32871118      8.62923019    -17.92111980
  O     14.93414086      8.05123587    -17.25071311
  H     20.04270243      6.21920338    -15.13722459
  H     15.62591836      7.87447826    -16.59121295
          69
 Energy    -248.17662534459134     
  O     14.47225588      5.86280354    -17.01036775
  H     14.56059872      5.54833529    -17.90637883
  H     15.35781056      8.07670019     -9.50629873
  O     13.08836785      7.48354898    -11.61476862
  H     14.58173164      6.82992069    -17.04350751
  H     15.35939604      7.79132922    -13.99796028
  O     15.97769403      4.52933441     -9.45486794
  H     12.17140384      7.71859105    -11.82060011
  H     14.99478234      9.16467953    -13.43365756
  O     12.19366024      5.48905692    -15.33050173
  H     13.63639437      7.74506417    -12.37501602
  H     16.56069194     10.21653021    -14.85101808
  O     14.69974620      8.56156099    -17.04372191
  H     15.68507284      5.45154907     -9.44123915
  H     17.11789264      8.82374119    -15.18007131
  O     15.62843014      9.86750628     -9.34735109
  H     16.88072455      4.53984408     -9.79315311
  H     10.82466323      9.36256770    -12.63333268
  O     18.44289513      4.61750092    -10.96537464
  H     12.57608858      5.19619343    -14.49345982
  H     10.48867937      8.05241732    -13.35906470
  O     12.59569152      9.39159390    -15.26839705
  H     12.92564809      5.58065332    -15.95268744
  H     12.01667030     10.56719040    -14.02783473
  O     14.52618816      3.01523517    -11.16090890
  H     15.46870899      8.99163521    -16.64200367
  H     11.26610208     11.84310040    -13.58187233
  O     16.91698074      3.25936856    -12.74848964
  H     13.92625890      8.99670010    -16.66911372
  H     13.77187730      4.25336975    -12.28653280
  O     15.69747194      4.88771563    -14.68662391
  H     14.91134002     10.26698954     -9.85510627
  H     13.31693047      5.73852323    -12.36826563
  O     15.22260119      7.18681039     -9.86281442
  H     16.43353300     10.02873251     -9.85447791
  H     11.04577951      6.74987215    -15.24678982
  O     14.61337518      8.30719659    -13.67301429
  H     17.96518962      4.10899006    -11.64562644
  H      9.70418821      7.36460017    -15.71449254
  O     16.83331079      9.65599813    -15.58487407
  H     19.26964746      4.16774343    -10.81452842
  H     13.38309599      9.48537558    -11.22686262
  O     10.67749757      8.42102532    -12.48588429
  H     13.29600320      8.93502451    -14.77667560
  H     12.88646199     10.78948827    -11.86393824
  O     11.66950410     11.04319111    -13.25457030
  H     11.85340138      8.77617522    -15.33793392
  H     17.33202223      7.19985505    -13.26989670
  O     13.53073235      4.96189983    -12.89798852
  H     14.14590751      2.25968355    -10.72131664
  H     16.79099418      6.31960007    -14.42887116
  O     10.47386060      7.53641341    -15.17933308
  H     14.99799522      3.53103712    -10.48194201
  H     15.07817385     10.80783965    -12.36785555
  O     13.56597709     10.43045168    -11.27757289
  H     16.11678374      3.01164331    -12.26907644
  H     16.59210051     10.50720109    -12.40797560
  O     17.13292128      7.19840481    -14.21563012
  H     16.61508480      3.72368714    -13.54026990
  H     18.77877525     10.19008688    -11.08379823
  O     15.82567511     10.68848448    -12.96909082
  H     15.34527569      5.12723836    -15.55335015
  H     17.86648226      8.95540494    -11.27282887
  O     17.86823897      9.92285519    -11.18137624
  H     14.96039101      4.94814252    -14.06143025
  H     17.97329201      6.36277116    -11.26870722
  O     17.52960523      7.20452245    -11.43409733
  H     14.40775625      7.21303607    -10.38133629
  H     16.69592251      7.17868583    -10.94228968
          69
 Ord_Energy   -248.176514    
 O   -4.27891350     -0.230516031       1.78263390    
 H   -3.84064651     -0.845313728       1.17802083    
 H   -4.40530491      0.599562585       1.30835962    
 O   -3.87160087       3.18332744       2.64737868    
 H   -4.42149639       2.96689510       3.40958381    
 H   -2.95694304       3.01570964       2.90722990    
 O   -3.06853533      -1.97124732       1.14332195E-02
 H   -2.20648026      -2.09535098      0.424822301    
 H   -3.60454440      -2.76053214      0.188023210    
 O   -7.30453920       1.25390041       2.83171844    
 H   -6.77773619       1.66623330       3.52708077    
 H   -7.19038296      0.302665085       2.93354034    
 O   -4.25015831     -0.104217201      -1.69420969    
 H   -3.79299688     -0.803918302      -1.20226288    
 H   -4.30084085      0.654858470      -1.09965324    
 O   -6.44718170      -1.50384533       2.84306479    
 H   -5.69772196      -1.01485336       2.46537185    
 H   -6.87752819      -1.97421539       2.11631799    
 O   -1.23689699       2.35605121       3.33844948    
 H  -0.924498498       1.82222188       2.58341384    
 H  -0.484547436       2.83918619       3.66746187    
 O  -0.542548597      0.768836379       1.29791749    
 H  -0.961545825       1.02055049      0.462239236    
 H  -0.554014623     -0.192175433       1.34748614    
 O   -6.53868055      -1.53756094       5.66499138    
 H   -6.25102854      -2.42271996       5.91951132    
 H   -6.65132618      -1.55492342       4.70609903    
 O   -6.92248297     -0.620039642     -0.959576130    
 H   -7.15880060      0.251434624     -0.621522546    
 H   -6.05202818     -0.523581088      -1.36804092    
 O   -4.59971714      -3.60094023       3.55073667    
 H   -5.22342253      -2.89081645       3.35288310    
 H   -4.82274246      -3.91275978       4.43745708    
 O   -7.35975790      -2.79292440      0.560099542    
 H   -7.22654200      -2.03270555      -3.58255208E-02
 H   -8.15101814      -3.23757744      0.268882960    
 O   -4.52251148      0.268092990       6.17476559    
 H   -3.90849757      0.203850478       5.42603779    
 H   -5.25363302     -0.353331208       6.02505636    
 O   -3.12024713      -2.28329825       6.71239614    
 H   -2.56651664      -2.35400558       5.92603588    
 H   -3.46691251      -1.38337374       6.72622681    
 O   -7.32718992       1.96265352      0.219059467    
 H   -8.02749634       2.58285356       3.46395299E-02
 H   -7.37775564       1.74963677       1.16837716    
 O   -4.53725910       2.12523198      0.258032620    
 H   -4.30754089       2.61145496       1.06818986    
 H   -5.49393606       2.19216490      0.145286545    
 O   -4.74789810      -3.98815155      0.752271354    
 H   -5.65647793      -3.69624686      0.607824981    
 H   -4.64594650      -4.07373428       1.70916080    
 O  -0.717853010      -2.11979723       1.56558180    
 H    5.59384413E-02  -2.67331481       1.48959124    
 H   -1.11036396      -2.30733132       2.43385172    
 O   -5.61382818       2.43432522       4.82413244    
 H   -5.96123838       3.09369564       5.42108297    
 H   -5.24907255       1.72770810       5.38033390    
 O   -1.98188448       1.60644257     -0.934938431    
 H   -2.36053538      0.984535813      -1.56325257    
 H   -2.74788260       2.03583336     -0.532296240    
 O   -2.79658890      0.170691147       4.04858828    
 H   -2.20084786      0.920311749       3.93196535    
 H   -3.32162762       9.35010090E-02   3.23758197    
 O   -2.05626273      -2.45552897       3.96645975    
 H   -2.25431395      -1.50690305       4.02348709    
 H   -2.89292645      -2.90528369       3.78105330    
 O   -5.18493462      -4.00250483       6.26215887    
 H   -5.28381157      -4.67362261       6.93152666    
 H   -4.43120098      -3.44543028       6.52807951    
          69
 Energy    -248.17633901504740     
  O     16.33422992      9.77250924    -15.33031555
  H     17.19227113      9.35418478    -15.18025038
  H     13.36339290     11.66995103    -13.17296156
  O     14.28471564      8.13965738     -9.23318189
  H     15.72116732      9.06288817    -15.56821697
  H     18.03185643      4.49229463    -13.39161042
  O     16.02144469     12.40652857    -15.94097652
  H     14.01731524      7.66513266     -8.45000704
  H     19.00128917      3.69992096    -12.49645989
  O     12.24963300      8.73453954    -11.19037716
  H     14.83811887      8.88159509     -8.93492520
  H     15.64816675      8.27888852    -11.96640214
  O     14.85875643      7.53447872    -15.91372111
  H     15.78019215     12.52712482    -16.85562097
  H     15.28138419      7.49321483    -10.69021228
  O     18.65706174      8.34524422    -14.80994097
  H     16.09753738     11.44763120    -15.79351815
  H     16.92423525     14.22737875    -11.31589688
  O     20.07274405     10.67341528    -14.18929967
  H     12.91674535      8.62064579    -10.50481065
  H     16.96492792     12.68626540    -11.43567764
  O     18.40992374      7.24377312    -12.28361434
  H     12.44742705      9.56113419    -11.65321561
  H     17.96246300      7.13116313    -15.96948359
  O     11.80126798      6.91122769    -13.13263749
  H     15.64106175      7.13987312    -16.31795040
  H     17.99196046      6.31926609    -17.28267530
  O     14.47599683     13.04263660    -13.60372165
  H     14.69128316      7.02094089    -15.10865412
  H     15.88318616      9.90542022    -13.56745551
  O     12.55408948      8.99270468    -14.97568825
  H     19.24859485      9.09968959    -14.69221085
  H     14.65223444     10.20814602    -12.67595817
  O     12.99352299     10.81148440    -12.92075349
  H     18.56109359      7.92673065    -13.94076695
  H     17.57774426     12.70019966    -14.90840564
  O     18.78528332      4.58263834    -12.78320201
  H     19.44124230     11.41458986    -14.21282748
  H     17.85895773     13.04407000    -13.43854613
  O     15.72790113      7.41034789    -11.54022374
  H     20.92307641     11.03150924    -14.43027057
  H     16.59236543     10.65284527    -11.45338048
  O     16.81068633     13.50776059    -11.93160195
  H     18.65876463      6.31352805    -12.38461468
  H     18.06237499     10.63746629    -10.95341336
  O     17.45035095      6.51895050    -16.52299256
  H     17.50343340      7.25340495    -11.94841773
  H     14.90173501      6.45908990    -12.84180968
  O     15.56388086      9.88627334    -12.65773990
  H     11.92630535      7.52818825    -12.38835690
  H     13.49607801      6.20505141    -13.43886714
  O     18.27241878     12.69765099    -14.23854883
  H     10.93414712      6.52875074    -13.03093706
  H     19.20636852      8.82336516    -11.67704782
  O     17.19588490     11.04380026    -10.80233932
  H     14.91292025     12.90792547    -14.45350601
  H     19.78394750     10.07434822    -12.36840377
  O     14.43792826      6.05584368    -13.58988074
  H     15.18433072     13.25891338    -12.98613436
  H     16.40488797     10.53543050     -9.27714221
  O     19.47813649      9.73831453    -11.51807389
  H     13.25267947      8.57347177    -15.49046144
  H     16.35479620     10.56272844     -7.74119412
  O     15.91917752     10.19845661     -8.50739646
  H     12.17967665      8.28267667    -14.43805213
  H     16.93465005      5.14354561    -15.26717177
  O     16.67153793      4.57919313    -14.53071477
  H     12.79622154     10.30952404    -13.72684183
  H     15.83917461      4.94256877    -14.20136340
          69
 Energy    -248.17627123380896     
  O     -6.94709283      3.35094550     -1.70110482
  H     -7.58801920      3.96255903     -2.05668787
  H     -6.23635726     -1.17994062     -0.64602358
  O     -2.65332725      3.91369013     -1.63336961
  H     -6.24096112      3.88811483     -1.30778227
  H     -5.12794187     -1.41788552      1.61536737
  O     -7.13666723      1.63142516      0.58722965
  H     -1.92404895      3.62605846     -1.06695452
  H     -4.90323616     -2.25487105      2.89640979
  O     -2.51254885     -1.91896101      0.27962975
  H     -2.81484050      3.17984464     -2.24082337
  H     -1.69096746      1.18732036      2.65256648
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  H     -6.34881199      1.98716745      1.02118853
  H     -0.90313884      1.87961791      1.47936881
  O     -3.19361608      1.49110796     -2.90926159
  H     -7.24973574      2.17217771     -0.20290065
  H      2.86885528      0.01172792      0.50002014
  O     -3.29502057     -2.23862901     -2.38237547
  H     -1.60339600     -1.75870769      0.56922070
  H      2.49832333      0.23912082      1.97493542
  O     -1.46898144     -0.65593148     -3.57386719
  H     -3.07714261     -1.96021306      1.06157126
  H      0.84485762      1.57713403      2.86027289
  O     -0.61615632      2.72835639     -0.15253694
  H      0.04584325     -0.20362838     -0.72648706
  H      1.89714019      1.90980719      3.94143603
  O     -0.02605516     -0.98787678      0.93449768
  H     -0.37398681     -0.01576558     -2.22444892
  H     -4.99411828      1.29694474     -3.24141126
  O      2.79107158      1.07737457     -1.12369302
  H     -3.36723028      1.17774314     -2.00612873
  H     -6.33057269      1.85917567     -2.71593689
  O     -6.11768267     -0.86187985      0.25736852
  H     -2.58339562      0.85514272     -3.29786160
  H     -3.74680377      0.03296367      2.94975125
  O     -4.47309573     -1.65050864      2.29660731
  H     -3.04890765     -2.27013640     -1.44664350
  H     -3.86032726      1.55397029      2.69862451
  O     -0.81576796      1.31585422      2.26015877
  H     -4.23728245     -2.03918918     -2.41608420
  H     -6.70048271     -1.96441216     -3.03430658
  O      2.64510265     -0.45242616      1.31612779
  H     -2.11901161     -1.27026582     -3.18591189
  H     -6.08271832     -0.57134691     -2.76225660
  O      1.79670185      1.70295268      3.01589572
  H     -1.19959149     -1.03105095     -4.40770827
  H     -3.12970130     -0.19725685     -0.15695083
  O     -5.93945955      1.10395821     -3.16919732
  H      0.25420529      3.07881333      0.09002974
  H     -4.61034701      0.16574717     -0.26999599
  O     -3.35052512      0.88287868      3.17323243
  H     -0.44817687      1.95644202     -0.70985774
  H     -4.06067644      4.53136110     -0.93576678
  O     -6.09481190     -1.49897604     -2.46348157
  H      0.92987077     -1.01618793      1.07966788
  H     -4.79108179      5.70992901     -0.24404826
  O     -3.72232682      0.53383790     -0.37084895
  H     -0.35255510     -0.23915832      1.45558526
  H     -4.14503572      1.96245326      0.71072300
  O     -4.88841169      4.79415605     -0.48982492
  H      3.31431008      1.03123637     -1.91984280
  H     -4.62645759      3.42569456      0.83786677
  O     -4.57180815      2.59033913      1.31422886
  H      1.88355591      0.83307500     -1.37018323
  H      2.04401251      2.83070233      1.46969899
  O      1.98921166      3.23310559      0.59372003
  H     -6.63197467     -0.04676991      0.36999988
  H      2.40217109      2.60050644     -0.00799977
          69
 Energy    -248.17611485844310     
  O     11.57221486      9.28558463    -13.01088632
  H     11.73860841      9.88082425    -12.27083795
  H     18.81892219     12.36639169    -13.05313355
  O     16.94047486      8.56231097    -15.10236202
  H     11.89628015      9.73916011    -13.79787370
  H     13.92949907     12.92335252    -13.12201438
  O     17.44605020      9.86665816    -10.79190721
  H     16.61592803      7.76523006    -14.65857251
  H     12.82077515     12.18953456    -13.90958327
  O     15.79993442     12.91690903    -13.18690405
  H     17.70053978      8.87159933    -14.58986147
  H     15.55423259     11.12105837    -13.54934312
  O     13.33008714      8.55500143    -16.78415040
  H     16.48184566      9.78236358    -10.79659814
  H     15.85127956      9.70790607    -14.18407793
  O     16.20841970      5.73756746     -9.57130542
  H     17.79337349      9.08886018    -10.33703416
  H     11.83578063      7.58357194    -12.86070849
  O     16.17705727      6.41109911    -13.54298264
  H     16.46160507     12.88865719    -12.48452659
  H     11.22002616      6.17189707    -12.71077347
  O     14.69066025      9.60027622    -11.06044673
  H     16.25129953     13.18968470    -13.99737204
  H     18.96870311      7.55543723    -12.83824314
  O     17.13192884     13.29626523    -15.59948830
  H     13.44200683      7.76085959    -16.23970155
  H     18.67991457      6.84688339    -11.51028882
  O     15.22048536     11.74851741    -16.71555758
  H     14.17879017      8.69795954    -17.21676914
  H     13.12746966      6.41368989    -14.33949289
  O     16.02900874      9.20190384    -17.59491963
  H     15.51929710      6.08062442    -10.16337132
  H     14.62002125      6.25914655    -14.66811413
  O     19.13218864     12.07116452    -13.91695700
  H     16.12473050      4.78734953     -9.59443395
  H     18.21720883     13.00097617    -10.57735108
  O     12.98509552     12.71495345    -13.11646019
  H     17.07782653      6.35799993    -13.19100681
  H     17.77351016     11.60318344    -11.06466386
  O     15.24491681     10.20839658    -13.62545110
  H     15.59838402      6.56381662    -12.78501040
  H     18.31127275      9.54346788    -12.47010752
  O     12.04995832      6.63807885    -12.76336563
  H     13.91179294     10.12358560    -10.83936724
  H     19.07063441     10.30142457    -13.58571266
  O     18.71741315      6.70131516    -12.46236467
  H     14.85041126      9.74968718    -12.00801654
  H     17.57408531      6.83196960     -9.57801153
  O     13.75649961      6.40904613    -15.07069478
  H     16.46756080     12.74675829    -16.05330892
  H     18.94311226      7.24003470     -8.98523862
  O     17.88329557     12.52978389    -11.33656232
  H     17.29111150     14.05056437    -16.16080267
  H     14.49089519      7.81421116    -11.17445306
  O     18.81587698      9.41751161    -13.28438255
  H     14.38060726     11.54320137    -16.29300181
  H     13.58470457      6.69523421    -11.75987433
  O     18.32446514      7.44274385     -9.68238143
  H     15.51324263     10.92603062    -17.13081289
  H     11.76762702     11.61492963    -10.37888922
  O     14.44006289      6.86262206    -11.34412963
  H     16.56084947      8.79575970    -18.27412242
  H     12.55665659     11.79342312    -11.69790801
  O     12.35405751     11.16524412    -10.98100581
  H     16.40713794      8.92871915    -16.74102711
  H     12.94433819      9.94822853    -15.77806766
  O     12.97726339     10.66032947    -15.11862816
  H     18.53833017     12.46766925    -14.56587922
  H     13.74322402     10.45845864    -14.55706828
          69
 Energy    -248.17607416653283     
  O     11.82067048      8.97830906    -12.24430711
  H     11.75784627      9.89891623    -11.96113427
  H     16.42826598      6.29403447    -15.91478072
  O     17.33205980      8.55278791    -14.05576634
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  H     17.97317433     12.66356422    -14.75847319
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  H     18.02016020      9.13284783    -13.70965174
  H     17.93233105     11.74641250    -15.99009399
  O     14.86294934     12.49553801    -15.36292834
  H     16.55020055      9.10934764    -14.18380932
  H     11.90893522     11.21024260    -14.78481403
  O     14.88728184      5.69157215    -14.73312647
  H     17.46092758     11.59637109    -10.57318523
  H     13.03143590     12.28430314    -14.86883795
  O     16.23317800      8.40528098     -9.08260882
  H     16.20380894     11.53796071    -11.45733777
  H     14.80285359     10.23413374    -13.21356444
  O     16.08258490      6.71320877    -12.46766546
  H     15.44674971     12.96792358    -14.75452286
  H     14.96906948     10.84634204    -14.62099998
  O     14.60347022     10.84160255    -11.49386222
  H     15.39438177     12.24728900    -16.13255194
  H     19.46681620      9.31924471    -11.61075678
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  H     14.61422061      4.78164321    -14.64658410
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  O     17.97398421      6.54803637    -10.39936009
  H     15.28417396      5.94431634    -13.88297247
  H     16.90561198     13.06821105    -12.76887092
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  H     16.92665770     14.51331336    -13.30894641
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  H     18.36642023     10.95294878    -12.45538850
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  H     19.01576380     10.97373217    -13.85454290
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  H     16.55429949      7.36426313    -13.01156116
  H     17.23812395      9.84339638     -9.03182798
  O     15.00386141     10.01504970    -14.13134745
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  H     18.07826765     10.81486650     -8.17053925
  O     19.40871303      8.82283369    -10.78418896
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  H     14.13996885      8.74393607    -15.02207516
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  H     13.99684986      7.22744348    -15.33440333
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  H     18.54213294      5.86527147    -10.05308973
  H     14.71572604      7.63384947    -11.56499028
  O     13.66286083      8.10081616    -15.57149631
  H     18.54424837      7.31409929    -10.59378072
  H     11.41696982     12.45584523    -11.39730572
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  H     16.77015943     11.74463772    -18.21802415
  H     12.04722398     11.99549316    -12.73584026
  O     12.02124218     11.82436874    -11.77649746
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  H     10.61160197      9.11445588    -15.61145389
  O     11.34495701      9.40180978    -15.07362073
  H     17.37422022      7.43644821    -15.54624715
  H     12.11671648      8.87698920    -15.34779267
          69
 Energy    -248.17586167408146     
  O     -0.54348913     -5.05582186     -2.36303090
  H     -0.75154651     -5.25729559     -1.44386970
  H     -3.67946677     -0.13726229     -0.24834590
  O     -1.17486033      1.22569546     -6.06398247
  H      0.03309167     -4.27723273     -2.32708614
  H      0.83027445      3.45309590     -4.94576774
  O     -0.10149052     -5.22447894     -5.16462190
  H     -0.69594762      0.41964443     -6.29479289
  H     -0.05885286      2.20167687     -5.15499836
  O     -2.59436477     -2.05646630     -6.55362975
  H     -2.01821551      0.92756594     -5.69922426
  H     -1.69367896     -1.42149273     -3.36013873
  O     -3.97266742     -4.65952984     -0.57425854
  H     -0.99103433     -5.12715244     -5.52535113
  H     -0.74554793     -0.20405921     -3.13947407
  O     -3.15250971     -4.68319694     -3.31693033
  H     -0.20089732     -5.33265153     -4.21057577
  H     -1.67727874      1.76658271     -2.57088893
  O      1.78014511     -3.52845637     -6.09227364
  H     -3.05674383     -1.29934486     -6.17930329
  H     -0.21367315      1.96755387     -3.06736361
  O      2.97977688     -2.25264514     -3.77432295
  H     -1.65601807     -1.82890826     -6.53114049
  H     -3.61344280     -0.61343698     -4.31372732
  O      0.11117763     -1.29854960     -6.06089286
  H     -3.12820876     -4.91135270     -0.18011049
  H     -3.67147409      0.90615735     -4.26474570
  O     -3.50922007      2.05184545     -2.71210767
  H     -3.86844182     -4.79253878     -1.52569898
  H     -2.52845544     -2.04218004     -0.16510466
  O     -2.77166655     -4.73190717     -6.09172981
  H     -2.24443324     -4.81697587     -3.00798371
  H     -3.82734458     -2.86777638     -0.32411710
  O     -3.46298734      0.80400080     -0.30604873
  H     -3.14321076     -4.82096857     -4.27210652
  H      1.86795228      1.11447137     -4.67923471
  O      0.59156409      2.61579867     -4.55777486
  H      2.29920257     -3.96249639     -6.76419137
  H      1.63765575     -0.20672540     -5.41039911
  O     -0.78359497     -1.11237820     -3.46297601
  H      1.14239107     -4.18568809     -5.76042398
  H     -3.38289373     -2.88785624     -3.26830335
  O     -0.75940702      1.50214706     -2.41957800
  H      2.89018908     -1.32477346     -4.03462113
  H     -3.50852162     -1.83324366     -2.14865522
  O     -3.55795517      0.17169893     -4.88009644
  H      2.70787764     -2.76099638     -4.54761180
  H     -0.92307865     -5.31151424      1.20588052
  O     -3.47770757     -1.96492799     -0.32916985
  H      0.69168581     -2.06363280     -6.16734133
  H     -1.04064106     -3.97953835      0.43640747
  O      2.27136668      0.25733363     -4.85102250
  H     -0.17324357     -1.27387824     -5.13130578
  H      1.75174225     -2.63179650     -2.51853029
  O     -3.39418406     -1.93595479     -3.10220830
  H     -3.60890989      1.60407677     -1.85222223
  H      0.29215627     -2.14812367     -2.57098588
  O     -1.25905126     -4.92472053      0.40062764
  H     -3.99294488      2.87162670     -2.64968171
  H     -0.60057645     -1.24761302      0.29284529
  O      0.89659077     -2.72400690     -2.07707369
  H     -3.23158032     -5.15246176     -6.81349776
  H     -0.04097053     -2.39034939     -0.58120821
  O     -0.67096510     -2.19603694      0.13009925
  H     -2.76057235     -3.77774569     -6.28384521
  H     -0.04139311      1.21950376      0.71450544
  O     -0.61046451      0.64964951      0.20220611
  H     -2.56633515      0.87062333      0.04163645
  H     -0.55843950      0.96000527     -0.71743768
          69
 Energy    -248.17571216735334     
  O     16.55892173     11.31009071    -13.41395739
  H     16.91392672     10.75202066    -12.71105907
  H     15.19727712      5.65352557    -12.37440296
  O     16.14264740      9.87129885     -7.66970320
  H     16.00922231     11.97242118    -12.97738822
  H     11.73444570     11.75687973    -12.19486270
  O     15.96060069      6.18053801     -9.08294959
  H     17.04928027      9.67559330     -7.93052682
  H     12.53489708     11.31672570    -13.44064817
  O     12.37234077      5.95789276     -8.99286730
  H     15.82120960     10.50272689     -8.32845356
  H     18.78025599      8.32828905     -8.70824425
  O     18.62470126      6.59068357     -8.54707529
  H     15.46696209      5.36729461     -9.24410698
  H     19.56359400      9.63938708     -8.46557456
  O     17.17931639      9.74865939    -11.12927373
  H     15.33669172      6.83251700     -8.73086285
  H     14.82344586      8.62590300     -7.80845086
  O     14.77867785     13.07786259    -12.01858732
  H     12.98419715      5.24884074     -9.22662835
  H     13.59554626      8.60391258     -8.73712734
  O      9.80104879      8.64047150    -12.11117965
  H     12.90078907      6.64349149     -8.56682674
  H     13.71785360      9.94937148    -14.90846939
  O     15.14296964     11.24490988     -9.93012368
  H     19.10127922      5.78631246     -8.73474455
  H     13.25857368      9.28253400    -13.57830395
  O     13.59498690      8.23935999    -12.15330085
  H     17.68510487      6.38586313     -8.68360995
  H     11.46540556      5.96653908    -12.30509468
  O     10.39483777      6.18058001    -10.80848804
  H     16.44804809     10.23419659    -10.71892268
  H     11.66298432      6.57107535    -13.72251002
  O     14.59992660      4.89523529    -12.39468743
  H     17.83579696      9.62503680    -10.43315054
  H     10.48499795      8.04026971    -15.55362213
  O     12.41304694     12.04432580    -12.81656725
  H     13.91339702     12.74742297    -12.32137165
  H     11.59635338      8.66849721    -14.67916012
  O     18.75054941      9.29349696     -8.82443183
  H     14.75955453     14.02616560    -12.11274069
  H      9.77283211     11.38499184    -10.55452200
  O     14.13182237      8.04385165     -8.15765047
  H      9.96280906      7.83421508    -11.60534866
  H     10.21055242     10.15195106    -11.38179181
  O     12.94064589      9.74723851    -14.36714915
  H     10.06778194      8.45000101    -13.01819587
  H     14.40470738      4.27400603    -10.78525803
  O     12.09127718      6.03989230    -13.03892004
  H     14.30200872     10.76612369     -9.93396967
  H     14.34751338      3.09694896     -9.77928892
  O     10.88554220      8.00294417    -14.68933470
  H     15.04837652     11.97552497    -10.55332581
  H     15.79113304     10.68677787    -14.86663658
  O     10.53049812     10.96691549    -10.95421491
  H     13.06785048      7.46428174    -12.38339568
  H     15.89366046     10.27691684    -16.34595630
  O     14.31264593      4.04717253     -9.84197599
  H     14.50042725      7.93461181    -12.00422133
  H     12.02023148     10.16749044    -10.17003257
  O     15.27953523     10.34568668    -15.62086811
  H     11.08162728      6.15498051    -10.11829483
  H     13.05959565      9.17665374    -10.76101506
  O     12.83513897      9.69375810     -9.97143444
  H      9.68519345      5.61991331    -10.50567417
  H     16.10960629      6.86882253    -10.79067522
  O     16.11103310      7.24357859    -11.68225053
  H     13.75897171      5.20918828    -12.75325771
  H     16.57565832      8.08912638    -11.61367428
          69
 Energy    -248.17567252431940     
  O     -3.88580906     -0.23515058      3.73795593
  H     -3.55900880      0.62588998      4.03111369
  H     -7.32925184      4.74998337     -0.11639985
  O      0.29325094      3.47331420      2.39859842
  H     -3.16510006     -0.65672305      3.24675594
  H      0.87313748      1.82218522      1.66771700
  O     -1.84770698     -1.26567457      2.16062624
  H      0.73574596      4.31681481      2.34655381
  H      0.37310370      0.68000586      0.75325400
  O     -4.59635392      0.17661620     -2.01347308
  H     -0.62136799      3.62009355      2.10369511
  H     -5.40091356      4.16814610      5.35799644
  O     -2.30481331     -1.53710045     -2.10069634
  H     -1.63664126     -0.74400650      1.37327579
  H     -4.50214461      3.29850510      4.45085223
  O     -5.06356984      1.09126251      1.64591226
  H     -1.06356155     -1.22010719      2.72240615
  H     -3.05714127      4.32533705      1.74481982
  O     -7.15568400      2.64360539      2.69008397
  H     -5.01965817     -0.33697195     -1.31171758
  H     -2.56554927      3.14500321      0.87793499
  O     -8.38167760     -0.30807156     -0.24131162
  H     -3.82906907     -0.34776892     -2.27412425
  H     -4.94310897      4.83141810      2.84928364
  O     -2.99123276      2.40501543      4.10332523
  H     -1.95679229     -2.18493388     -2.70731455
  H     -5.31325885      4.80471100      1.35072997
  O     -5.77110778     -1.17770211      0.24222572
  H     -2.66183562     -2.02759325     -1.33723748
  H     -6.13495163     -1.81389487      2.29583556
  O     -3.31151837      1.94221465     -0.24530566
  H     -5.81696048      1.59341279      1.97684697
  H     -5.53613666     -1.20981530      3.57143164
  O     -6.78720705      4.09740604      0.32088454
  H     -4.66387452      0.63670940      2.40021821
  H     -0.09776416      0.96109949      4.43803623
  O      1.04053615      0.90526472      1.41594059
  H     -6.62732745      3.06052675      3.38294030
  H     -0.03081189      2.43476385      3.99729469
  O     -5.32161824      3.82076476      4.47304459
  H     -7.15458642      3.23417897      1.92437916
  H      1.27057673     -1.16085097      3.85770550
  O     -2.33408506      3.68862306      1.64287568
  H     -9.20662901     -0.67861687     -0.54179929
  H      0.80294622     -0.13555447      2.79434898
  O     -4.64217045      5.10735916      1.97513876
  H     -8.48087070     -0.13165418      0.71300496
  H     -8.11531420      1.04539916      2.61875200
  O     -6.34917041     -1.58148587      3.20390445
  H     -2.11817727      2.21635017      4.47891023
  H     -7.78664089     -0.45399194      2.82375868
  O     -0.38988422      1.84906820      4.67656459
  H     -2.82437846      2.77450979      3.22587821
  H     -2.86888691     -2.35260577      0.93880295
  O      0.51484745     -0.65829078      3.56554053
  H     -5.54117715     -0.38041182      0.74629962
  H     -4.23896251     -2.25527011      0.22271051
  O     -8.41551846      0.15218300      2.40689534
  H     -6.70164651     -1.07935437      0.00314462
  H     -1.37682150     -0.40029276     -0.89334412
  O     -3.35177698     -2.63164719      0.15056143
  H     -3.92882706      1.71860680      0.47055722
  H     -1.85606795      0.87142630     -0.16384776
  O     -1.17060740      0.18886619     -0.15800543
  H     -3.68021336      1.51389723     -1.02634326
  H     -7.44194099      1.17991232     -0.97600049
  O     -6.84611576      1.87818754     -1.27729100
  H     -6.75266011      3.32902133     -0.27480993
  H     -6.12302657      1.43197874     -1.73081269
          69
 Energy    -248.17560973429659     
  O     13.88052977      4.75326435    -10.24623148
  H     14.04206433      5.46670290     -9.61734477
  H     17.35561043      9.19108694    -12.33619592
  O     15.33006560      8.65543446    -16.72686277
  H     14.72643574      4.59011385    -10.68182390
  H     15.24260427      8.68631532    -12.15404834
  O     18.26254440      8.60590017    -13.76079074
  H     14.93879136      8.66655174    -17.59666742
  H     13.80547868      8.40913094    -11.64136788
  O     15.71876962     11.95132155    -11.64495358
  H     14.61822984      8.85799030    -16.09666731
  H     12.32349042      4.79811113    -11.03997284
  O     11.00547252      7.87408570    -14.53672749
  H     17.73866901      7.94977613    -14.24471462
  H     10.91831305      4.16040750    -11.07991551
  O     12.07477603      5.41825560    -14.16757504
  H     19.03263725      8.13965498    -13.41342961
  H     21.20947191      6.95540862    -12.73947737
  O     16.92130823      7.12927538     -9.93224661
  H     15.42261349     11.86940726    -12.57148358
  H     20.07652535      6.80736091    -11.69737006
  O     13.25571549     11.38292539    -10.39201273
  H     16.20984355     12.76611992    -11.58116278
  H     14.54500824      6.72172425    -13.13687878
  O     18.33198810      5.00941503    -13.54092719
  H     11.37472996      6.97296757    -14.48529575
  H     15.25938079      5.37936231    -12.88845357
  O     14.96489094     11.60305954    -14.18474653
  H     10.19402083      7.80928851    -15.03331856
  H     16.62776245      9.93638651    -16.07170548
  O     13.42615299      9.26979104    -14.81165027
  H     13.03780708      5.47826868    -14.09525143
  H     17.67189233      9.98113331    -14.94232042
  O     16.80485588      9.35149812    -11.55520547
  H     11.78200981      5.10371480    -13.30282922
  H     16.02193828      6.39244639    -14.67697908
  O     14.37969492      8.33869821    -12.41302867
  H     16.90268680      7.95136049    -10.44422706
  H     16.34611303      7.31687806    -15.86639052
  O     11.44528553      4.86101300    -11.45511118
  H     16.12415151      7.11490474     -9.38902966
  H     19.72415661      5.65380286     -9.51532748
  O     20.26110086      6.96706105    -12.63877019
  H     12.65510801     12.05215780    -10.71371776
  H     18.66182469      6.69214471     -9.90475913
  O     14.74562259      5.86618855    -13.54559394
  H     14.11802351     11.59563112    -10.77746324
  H     11.00573971      6.69657319    -11.54455731
  O     17.13825222     10.54202095    -15.51963788
  H     19.06586874      5.57767269    -13.27936701
  H     10.87997038      7.83513258    -12.57698019
  O     16.75479258      6.75379609    -15.19871033
  H     17.89479047      5.47153505    -14.26720794
  H     17.11948380      4.75830838    -12.19666508
  O     19.58790382      6.43699653    -10.04371808
  H     15.76415525     11.34963460    -14.67199272
  H     16.61111112      5.62566442    -11.01944643
  O     10.89248412      7.65280136    -11.63086270
  H     14.28967915     10.96424718    -14.43832882
  H     13.85677445      7.64809905     -9.09342715
  O     16.40171569      4.84688902    -11.55231446
  H     13.80030784      8.98708500    -13.96267143
  H     14.21991422      7.12474805     -7.68397954
  O     14.43889032      7.03677150     -8.60801733
  H     12.53370930      8.90405672    -14.83024939
  H     12.07078886      8.38544008    -10.55086040
  O     12.86698718      8.67590541    -10.07922269
  H     16.55042710     10.28156868    -11.53725885
  H     12.93073992      9.64028030    -10.12432804
          69
 Energy    -248.17539733834511     
  O     14.17396281      9.27429532    -10.72113569
  H     14.04677382      9.88968331    -11.45809826
  H     11.13895291      7.53305887    -10.51293032
  O     16.90062208     11.07806101    -13.16803836
  H     13.38735224      8.72040890    -10.65648543
  H     19.05423199      8.35647088    -14.67087859
  O     13.98028363      4.88017644    -14.06330602
  H     17.37787073     11.00613571    -12.33357950
  H     19.39354199      7.95853114    -13.22605835
  O     16.27263088      6.81126139     -8.17516097
  H     17.21133740     10.38429549    -13.76502165
  H     14.31980164     13.28590911    -14.41145250
  O     15.89897102     12.85941357    -15.16066197
  H     14.43081504      4.77655118    -13.20694550
  H     13.29657645     14.23367684    -13.76029976
  O     16.00698838      7.58321885    -12.01041688
  H     13.79365090      4.00388810    -14.38960633
  H     13.84915830      9.65572792    -14.26628803
  O     14.15156423     10.84029998    -12.94990443
  H     16.23432150      6.56385255     -7.25424565
  H     14.44285898      8.35640516    -14.89789674
  O     18.67701912      8.24655723    -11.57447554
  H     15.45163303      6.48550299     -8.58192156
  H     15.05219971     10.49322228    -17.67919367
  O     18.11258950     10.80306622    -10.60213736
  H     15.72243778     12.17275838    -15.81554454
  H     14.67465758     10.05598235    -16.24764831
  O     18.17463330      5.40284143    -14.03853998
  H     16.38966138     12.41693981    -14.45533063
  H     12.59165576      7.79302768    -14.02279603
  O     18.02027086      4.07010982    -11.68620848
  H     16.92426958      7.83181803    -11.83328994
  H     12.75034883      6.29329713    -13.69400802
  O     12.05917654      7.43468312    -10.74322463
  H     15.41995095      8.17513072    -11.52525330
  H     14.41540135      5.33524912    -10.16174256
  O     19.59783560      7.75349614    -14.15122129
  H     15.11569222     10.93142932    -12.99241967
  H     13.31165704      6.34392211     -9.79339208
  O     13.48029625     13.31222110    -13.92094747
  H     13.77685126     11.69617614    -13.20090833
  H     16.22415196      4.45470228    -11.64179268
  O     13.76126360      9.03298559    -15.00559672
  H     18.76245666      7.57323825    -10.88132913
  H     15.58869061      5.85991677    -11.73318960
  O     15.33950107     10.53234405    -16.77002633
  H     18.64935271      9.11743792    -11.16228300
  H     18.36812000      5.41861480    -10.34366113
  O     12.28634623      7.09701863    -13.42983328
  H     18.60610479     11.45892634    -10.11748221
  H     17.76978624      6.32311003     -9.22990643
  O     14.04546327      5.83876914     -9.42439981
  H     17.47750871     10.40638470     -9.97772418
  H     15.84292108      7.24526855    -13.69725037
  O     15.37668215      4.91252323    -11.71051786
  H     18.81291677      6.12907021    -14.11424082
  H     15.13335389      6.23905207    -14.64428297
  O     18.53900273      6.19683313     -9.79983310
  H     17.35240788      5.76462634    -14.37838623
  H     15.49148083      9.56247731     -9.51348500
  O     15.73139498      6.99672325    -14.63224926
  H     18.14037106      4.52775601    -12.53892369
  H     16.39868383      8.66111985     -8.66170388
  O     16.32488973      9.55276854     -9.02047984
  H     18.56637246      3.28931122    -11.71461704
  H     16.90672897      8.38394961    -15.12955883
  O     17.37690489      9.21954378    -15.25174265
  H     12.09414849      7.30286417    -11.70710013
  H     16.85689320      9.71584635    -15.89535555
          69
 Energy    -248.17530559640812     
  O     11.08052533     10.27925379    -11.52365299
  H     11.65931759     10.80739016    -12.08736802
  H     17.00129755      6.67048780    -16.42921907
  O     13.91947693      7.38233837    -14.97271668
  H     10.55151061      9.73905406    -12.12453850
  H     14.70955697     13.48064877    -15.56855529
  O     17.66420424     10.44014781    -11.23354517
  H     14.29077059      6.90921204    -15.72683346
  H     15.47855920     12.15524793    -15.37532228
  O     17.98738564      9.47499837    -17.35646985
  H     14.57818042      8.04414414    -14.70905249
  H     16.22199941      9.82123089    -14.63602867
  O     11.90900582      9.25885617    -15.03752893
  H     17.71860169      9.52381576    -10.94229767
  H     15.53736314      9.57687728    -13.26872518
  O     13.69929179      6.02499567    -12.58814495
  H     16.71704023     10.60966986    -11.33864459
  H     11.67682079      9.22258451    -10.26712228
  O     14.93169872     10.37472145    -11.75965412
  H     18.00612280      8.61434089    -16.90100029
  H     11.60252175      8.74705487     -8.79718441
  O     15.30224957      8.79180576    -18.17809301
  H     18.73101960      9.48421438    -17.95328236
  H     11.35361065      7.15220740    -10.87077645
  O     16.03097560      4.61080326    -12.94698914
  H     12.54781585      8.53031617    -15.04897764
  H     11.97069099      6.28216113    -11.98372216
  O     17.00497019     11.25887497    -15.46142500
  H     11.13453722      8.94636902    -14.55500575
  H     18.45534403     11.15613362    -12.64014468
  O     15.26731818      6.31231470    -17.16890375
  H     14.42211080      5.38444305    -12.63227036
  H     19.58779966     12.04475675    -13.17927876
  O     17.83756589      7.04655877    -16.12502785
  H     13.69749434      6.48070688    -13.44248596
  H     17.55040292      7.18107900    -12.37213726
  O     14.59809584     12.56472936    -15.32578149
  H     14.17383035     10.73327032    -12.24092851
  H     16.86471628      7.76356566    -13.61746059
  O     15.81177151      9.14301871    -14.08714974
  H     14.66355267      9.54651801    -11.33941756
  H     16.29662732      7.70015285    -10.50240111
  O     11.98244368      8.53692027     -9.64584939
  H     14.65261459      9.42451769    -17.83649609
  H     17.54877624      7.15117648     -9.78861485
  O     11.13312218      6.63963181    -11.65739828
  H     16.17569710      9.16237512    -18.01316041
  H     13.80652008     11.28671007    -16.54906359
  O     18.81120320     11.56216784    -13.44862943
  H     16.46571921      3.89757538    -13.40744357
  H     12.80469615     10.12316506    -16.48326233
  O     17.40191074      7.01697191    -13.31105028
  H     16.55084927      5.40810911    -13.13542477
  H     14.24095525      7.19974040    -11.32724589
  O     17.26610387      7.65569903    -10.54766680
  H     17.40089994     10.73851880    -16.17218567
  H     13.68231669      8.05045442    -10.15615426
  O     13.47110319     10.53393542    -17.04837546
  H     17.68328980     11.41124130    -14.78425511
  H     13.45482296     11.85153371    -14.00272913
  O     14.48855067      7.84187324    -10.64570832
  H     15.23708937      7.18706632    -17.60265158
  H     12.57160031     10.58522447    -13.98424905
  O     12.92139525     11.29390008    -13.42344646
  H     15.04688979      5.66679106    -17.83429423
  H      8.95871030      8.13276639    -13.43271305
  O      9.86858782      8.38616905    -13.30360963
  H     17.85116636      6.94731256    -15.16545073
  H     10.28007625      7.69202043    -12.75790144
          69
 Energy    -248.17520936600650     
  O     13.57038112      9.79821180    -16.86702964
  H     13.42108841      9.77261655    -15.90264973
  H     19.40246902      7.77079731    -12.10188570
  O     16.62885057      6.52590278    -12.75569249
  H     12.82587883     10.25222490    -17.25082510
  H     17.24873174      9.60400540    -17.86970542
  O     17.98413650     10.45876503    -12.87386757
  H     16.63727778      7.18046840    -13.46987650
  H     18.71791473      9.20230598    -18.07104143
  O     20.20949021      9.56628547    -16.94544399
  H     16.60088557      5.66278233    -13.18569132
  H     16.00759201      7.70094211    -15.60558232
  O     13.82734529      5.50171108    -14.85537239
  H     17.04259867     10.24854319    -12.81248866
  H     17.53596463      7.84736203    -15.29306562
  O     15.93874700     10.64942642     -9.61663415
  H     18.28775736     10.59852392    -11.96836888
  H     13.95379866      9.88389410    -13.58078780
  O     14.42860332      7.33651633    -11.35576570
  H     19.75681845     10.22405758    -16.38583703
  H     12.90351196      8.78456003    -13.86604039
  O     17.77616675      5.20636316    -16.46972078
  H     21.07200242      9.91972520    -17.14311447
  H     17.31006347      7.57974370     -9.87693750
  O     15.64128156      7.84138836     -8.96467542
  H     14.61621739      4.98495507    -14.65821818
  H     17.59384840      7.17691190    -11.33235576
  O     19.29714642      7.31965249    -15.52016824
  H     14.05351326      6.04432668    -15.62499887
  H     11.47531329      6.76207737    -13.19912882
  O     16.36596090      4.25174727    -14.36926876
  H     15.76452759      9.77497745     -9.24655694
  H     12.87003364      6.46211050    -13.80261032
  O     19.65077637      8.16628920    -12.94120306
  H     16.90042940     10.70068398     -9.68628480
  H     18.56149477     11.09278741    -14.51550847
  O     17.82773502      9.04820218    -18.40856045
  H     13.62845903      7.22124520    -11.88210837
  H     17.87865577     11.24286306    -15.88158083
  O     16.64907876      8.11681574    -15.01370879
  H     15.15653068      6.93494459    -11.85511198
  H     18.52629536      9.28328667    -10.29248061
  O     13.27246823      9.60779780    -14.20731095
  H     17.41653326      5.57678095    -17.28322579
  H     19.57864838     10.28715803     -9.76872952
  O     18.00614122      7.56522744    -10.54644940
  H     18.43267094      5.84550457    -16.15589619
  H     17.13769884      7.48979997    -18.66051869
  O     12.37876762      7.06525132    -13.21448089
  H     15.23242434      7.39806010     -8.22593003
  H     16.70448696      6.37356242    -19.64152605
  O     18.74161318     11.27653317    -15.44725316
  H     15.10243778      7.63487107     -9.74846643
  H     15.40357083     10.38275622    -11.36934935
  O     18.71290519     10.22906923    -10.16481791
  H     19.70002623      8.01657991    -16.05230352
  H     14.99523747      9.04236432    -11.98570902
  O     16.68273414      6.63001815    -18.72379862
  H     19.52151896      7.50653679    -14.59580530
  H     16.43630440      9.73704773    -15.86955254
  O     15.26178093      9.94033609    -12.21878026
  H     16.56201914      3.32467572    -14.26549142
  H     15.34691287     10.42846861    -16.71078838
  O     16.28811280     10.45300494    -16.50691860
  H     16.86797724      4.55707536    -15.14692354
  H     14.27938124      8.06434385    -17.00205674
  O     14.69464449      7.20582508    -16.84961952
  H     19.10074826      8.96014612    -13.01274455
  H     15.27497032      7.00444284    -17.59504682
          69
 Energy    -248.17515055232437     
  O     13.42581528      4.26094176    -12.85955165
  H     12.69793158      3.69212084    -13.13810033
  H     10.19081339      4.24709845    -13.03645069
  O     13.54747819      3.52215490    -10.18388570
  H     13.09927848      5.16476464    -12.95106674
  H      8.78344930      6.60188924     -9.37683733
  O      8.36689524      7.45037087    -13.20876175
  H     13.69642776      3.72391828    -11.11911848
  H      8.13773050      7.98761364     -9.58811354
  O     15.20383927      7.39159011     -8.75317433
  H     12.88047291      4.16382035     -9.89141312
  H     12.09784263      6.23033054     -9.73584754
  O     12.17017202      5.51173492     -6.67876611
  H      8.73762944      6.56207565    -13.13076481
  H     10.83138773      5.30677197     -9.65441239
  O     11.04815979      2.63697656    -13.25962526
  H      9.08668582      8.00042558    -13.54297949
  H     10.14042812      7.79561835     -6.17663710
  O     12.10569699      6.82357668    -12.80119543
  H     15.13705047      6.44833243     -8.51983342
  H      9.27282707      7.11976836     -7.24664655
  O     10.92177707      9.17018623     -9.01217043
  H     16.12307283      7.56381876     -8.93922810
  H     12.11120321      2.30290202    -10.39082081
  O      7.38748806      8.82120893    -11.07913799
  H     12.09642250      5.43812464     -7.64489112
  H     10.63193517      2.07893164     -9.97393136
  O      9.17546493      2.58607327     -8.79902936
  H     11.37330966      6.00092140     -6.42656789
  H     14.22301343      7.92721099     -7.18778990
  O      9.87060261     10.22082505    -11.41075391
  H     10.97131632      1.87416659    -13.82585843
  H     13.20961505      7.05687445     -6.43334907
  O      9.89103914      5.12188823    -12.75950547
  H     11.09797498      2.30559824    -12.34474612
  H     14.51015230      4.23032612     -8.76122214
  O      8.69551257      7.48300521     -8.98303137
  H     11.70407200      7.58072225    -13.24553086
  H     14.11453151      4.74277756     -7.35760343
  O     11.74526359      5.40981801     -9.36620762
  H     12.45353503      7.16281802    -11.96408125
  H      9.00512072      4.14989300     -9.78948231
  O      9.72629911      6.95497462     -6.40767395
  H     11.06922896      9.38310400     -8.08356265
  H      9.29271662      4.99562905    -11.08625501
  O     11.27891922      1.89269579    -10.66282496
  H     10.17473859      8.55345492     -9.03134102
  H     12.28827865      8.33296242     -9.84423514
  O     13.58725713      7.94651214     -6.46381636
  H      6.49184131      9.09865596    -11.25151160
  H     13.72710545      7.70538478     -9.82748339
  O     14.80041733      4.79409583     -8.02862258
  H      7.66555947      8.28047317    -11.84084715
  H      9.38872535      4.91380453     -6.38509189
  O      9.09839343      5.04425091    -10.13893404
  H      9.35261558      3.04769965     -7.96147851
  H     10.68427905      4.13113612     -6.46309775
  O     12.89127473      7.73553645    -10.30979974
  H      8.52381724      1.91592096     -8.60729476
  H     12.17394686      8.92820054     -6.25772444
  O      9.72859462      4.02408844     -6.53522961
  H      8.96797479      9.90220348    -11.28425824
  H     11.36695784     10.06298350     -5.58040958
  O     11.29998441      9.35780754     -6.21827909
  H     10.32853414     10.03001405    -10.58234214
  H     10.45689612      9.53784336    -12.91606062
  O     10.67279773      9.06615552    -13.74055943
  H     10.67321095      5.69381534    -12.74841725
  H     10.84058577      9.73152425    -14.40247212
          69
 Energy    -248.17496687516012     
  O      0.09033111      8.28095656     -2.33236421
  H      0.44637824      7.74872928     -1.60730730
  H      3.74141260     11.23866777     -6.19494956
  O     -1.70903746     11.09955998      0.42805883
  H      0.49302551      7.99119570     -3.15881970
  H      2.84462411     13.94034345      0.22925016
  O      0.63876575     10.43824168     -5.62867140
  H     -2.57719436     11.19734354      0.81155496
  H      2.44501578     14.60039901      1.57028053
  O      1.61251532     10.53969569     -1.66850871
  H     -1.84306366     10.77472391     -0.48037410
  H      1.03312421      9.88848267      1.43828638
  O      4.02109281     13.81829384     -1.04619828
  H      0.88136564      9.53517096     -5.39803740
  H     -0.46344399      9.84365849      1.11122477
  O     -1.35736156     11.74795651     -4.38520849
  H      1.45152472     10.90295780     -5.86302147
  H      3.94831064      8.17933141     -3.89962401
  O      4.90504747     10.07929905      0.78712993
  H      0.98111760      9.83163223     -1.84830477
  H      4.59270594      6.91081824     -4.51121490
  O     -0.29306666     13.48169924     -0.33898906
  H      1.27723104     11.34285995     -2.08591903
  H      5.84726058     11.59958846     -2.43918752
  O      3.98178877      7.65612997     -0.29624932
  H      3.79519914     13.71834951     -1.97799299
  H      4.71414990     12.02062518     -3.41643559
  O      3.24670962     13.08379094     -3.72711910
  H      4.77107044     13.23282783     -0.88263072
  H     -0.07091013     12.61931639     -3.36710380
  O     -1.96375562     10.15344968     -2.09897101
  H     -0.67848437     11.25370911     -4.87997956
  H      0.28718283     13.20969905     -1.96661059
  O      3.00930197     11.87124283     -6.30035857
  H     -1.95577477     12.11826970     -5.02822505
  H      3.04878997      9.71849843     -2.28213082
  O      2.19901395     13.91200953      0.95855352
  H      4.03789361     10.46037195      0.98371719
  H      4.48845810      9.96527837     -2.78633413
  O      0.27655177      9.28765418      1.38329203
  H      4.72413067      9.16617674      0.52958005
  H      4.75313160      9.24208822     -5.55180534
  O      3.99503265      7.62902425     -4.70437363
  H      0.48380997     13.66233406      0.20501416
  H      5.37219880     10.53530172     -4.96879559
  O      5.45204936     11.40352516     -3.29872976
  H     -0.72486086     12.69941105      0.02591799
  H      2.27071795     12.06206849      1.09466383
  O      0.66129480     12.90340729     -2.80769278
  H      3.05401938      7.44140611     -0.14778145
  H      2.08930479     10.92862412      0.04909557
  O      3.84630499      9.26958914     -2.59650182
  H      3.99805376      8.16056549     -1.12134955
  H      2.20445038      7.62882618     -4.88648770
  O      5.03009634     10.13571992     -5.78175826
  H      2.33507722     13.08709996     -3.39701288
  H      0.90295322      7.05775729     -5.49166140
  O      2.32662300     11.10734512      0.97237201
  H      3.18032655     12.80553437     -4.64847104
  H      0.80404246      7.87616493      0.53569357
  O      1.23848354      7.71659719     -4.88715028
  H     -1.36841071      9.39987034     -2.21214232
  H      0.90066374      6.33504995      0.47434077
  O      1.12026140      7.12931268     -0.00587946
  H     -1.84605923     10.70817801     -2.87914589
  H      6.99465208     12.16317827     -0.23794354
  O      6.16855977     11.95616614     -0.66595576
  H      3.13842494     12.30165833     -7.14189757
  H      5.74749375     11.25355921     -0.13706555
          69
 Energy    -248.17496043159775     
  O     -3.08350087      0.34023505      4.53584238
  H     -2.71376111      0.41177500      5.42667787
  H      0.03510804     -3.36106965      2.63822824
  O     -0.83171702      3.05275438      7.27951909
  H     -3.05445165     -0.59547021      4.28935461
  H     -3.61821262     -4.33205251      6.70689872
  O      1.55619155     -1.33778841      0.74923250
  H     -0.94009116      3.75635752      7.91326303
  H     -3.20933261     -2.89069932      7.09312605
  O      0.44236330      0.86944738     -0.46298054
  H     -1.12250795      3.40174808      6.41676650
  H      0.91812395     -0.76574502      5.41815354
  O     -2.06688294      0.18082863      0.55738532
  H      1.74992778     -1.04707378      1.64466250
  H      0.38745386     -1.76722213      6.47264400
  O     -2.63555920     -2.33147620      3.96336328
  H      1.25623701     -0.55126289      0.26768650
  H     -1.11990150     -3.61426497      6.45592220
  O     -2.73068326     -2.44523616      1.08414719
  H      0.44249698      1.80866108     -0.25342027
  H     -0.02890015     -3.53333266      5.37440846
  O     -3.82093104      2.76863949      3.46647972
  H     -0.46690938      0.57516800     -0.30682831
  H      0.87369494      2.28903238      6.87514969
  O     -1.58613145      3.89075180      4.84636447
  H     -2.41249589     -0.71967085      0.60830377
  H      1.38063979      0.84341962      6.71442456
  O      0.44323996      3.18510301      3.08458998
  H     -1.57964139      0.32341130      1.38280471
  H     -3.38632131     -1.35826291      9.12607817
  O     -0.01315013      3.62337878      0.38780376
  H     -1.69551344     -2.51599386      3.82806198
  H     -2.79654869     -0.77547685      7.83127520
  O      0.07267848     -3.04475766      3.55043658
  H     -2.89246195     -2.82218735      4.75408144
  H     -0.47638965      1.60498958      3.02716344
  O     -3.06333808     -3.60161221      6.44576766
  H     -2.87046976     -2.47805235      2.03839004
  H     -1.56789930      0.62646458      3.57912085
  O      0.59355570     -0.83228841      6.32369021
  H     -1.87976548     -2.87339452      0.92437249
  H      0.22803307     -4.16714171      0.18386253
  O     -0.17595771     -3.46543942      6.32837232
  H     -3.66918829      1.87652635      3.82055874
  H      0.51914791     -2.73368748      0.68878530
  O      1.64199014      1.76843096      6.61240185
  H     -4.75720359      2.93646341      3.54520172
  H      2.40248576      1.91923709      5.05962629
  O     -3.31362342     -1.51518428      8.18793513
  H     -2.38860573      3.62341961      4.38407552
  H      3.66292150      2.15676362      4.18989476
  O     -0.80106935      0.69501746      2.99745110
  H     -0.85600568      3.76952783      4.22307877
  H     -2.56062491      1.94581862      0.62382358
  O     -0.06807725     -3.50356754      0.80079014
  H      0.43990818      3.40182806      2.14186906
  H     -3.02802837      2.93267506      1.70949851
  O      2.74560835      1.90007151      4.14704779
  H      1.31306975      2.84828479      3.33036209
  H     -1.52406475      1.34954750      7.18149406
  O     -2.57823331      2.88572834      0.85901309
  H      0.03666291      4.34465663     -0.23360248
  H     -0.95962744     -0.03424998      6.75315478
  O     -1.77318464      0.43761761      6.98687392
  H     -0.96040907      3.42977438      0.51724668
  H      2.08828435      0.16348984      3.73007030
  O      1.48920661     -0.57925961      3.58864681
  H      0.68155480     -2.29572250      3.55171688
  H      0.63697957     -0.18824943      3.32551411
          69
 Energy    -248.17490253382442     
  O     19.90257025      9.94915879     -7.41158663
  H     20.09429008     10.52462692     -6.67507028
  H     18.66088190     10.15634314     -8.75736724
  O     17.17633690      5.42459216     -9.56601345
  H     20.74084980      9.80667048     -7.88460764
  H     23.03557283      9.60786099     -9.12651850
  O     17.52238888      4.86960834    -13.18261807
  H     16.49716402      5.28608247    -10.23741445
  H     21.93852506      8.53078278     -9.20657065
  O     18.77718660      7.28577524    -13.18253598
  H     17.72974184      6.16114498     -9.86776068
  H     17.40992636     10.10351052    -13.04809329
  O     21.10851422      5.84815799    -12.36230873
  H     18.14439129      4.28040061    -12.73896521
  H     16.57727528      9.81441867    -14.32127931
  O     15.24755034      5.32189436    -11.54915545
  H     16.70002036      4.85621815    -12.67687650
  H     20.19666588      2.79303078    -12.53040071
  O     20.75311632      5.29010847     -7.57015963
  H     18.18777171      7.99249958    -13.46575647
  H     20.31097668      4.28847301    -12.16170166
  O     13.58342749      6.45255233     -7.67407730
  H     18.29566480      6.44675314    -13.28071612
  H     12.51984286      6.90422031    -10.69634523
  O     21.29546113      6.96481558     -9.73555431
  H     21.33931761      6.22716836    -11.50474556
  H     13.39935518      7.99618241    -11.32945955
  O     18.70895573      7.55867646    -10.44066325
  H     20.45216511      6.43733306    -12.75749690
  H     14.74598748      9.21344159     -8.78618785
  O     18.93571211      7.33449318     -6.59577903
  H     14.42913697      5.12233869    -11.07835926
  H     15.92667072      8.27811161     -8.41196683
  O     18.08901943     10.15430691     -9.53513321
  H     15.26577353      6.28443505    -11.66344359
  H     15.79335233      8.57103963    -12.28446924
  O     22.15013545      9.40498213     -8.83812602
  H     20.25130695      4.66764547     -8.12833403
  H     15.49057165      8.42501927    -10.75733674
  O     16.91838642      9.41301234    -13.52594648
  H     21.23933000      4.76264532     -6.94240326
  H     17.18674881      7.04696299     -6.95948965
  O     19.78272680      3.48337676    -12.01843116
  H     13.28155670      7.36059864     -7.79482851
  H     16.57012334      6.23616293     -8.11406516
  O     12.54192567      7.84608060    -10.90788895
  H     14.51307450      6.51560178     -7.41543421
  H     12.19704279      9.73087191     -8.31518922
  O     15.67028468      9.01854855     -8.98219664
  H     21.25191388      6.35424947     -8.98822079
  H     12.67141849      8.73116894     -9.39841226
  O     15.25441580      8.10206460    -11.63754656
  H     20.37599519      7.17475855     -9.96382405
  H     18.25695678     10.91899285    -11.12622664
  O     16.34710033      6.84958468     -7.39707563
  H     18.71313788      7.51037586    -11.40760273
  H     19.15139522     11.67634795    -12.12287871
  O     12.89950045      9.12664000     -8.53766528
  H     18.49935602      8.46196323    -10.17754800
  H     19.54255175      3.52931570    -10.14283128
  O     18.32247554     11.20989459    -12.05076429
  H     19.55687704      6.65903933     -6.89356902
  H     18.48429784      4.21036246     -9.26648470
  O     19.32022376      3.72322710     -9.22454042
  H     19.30711668      8.18441890     -6.85622253
  H     13.16644557      5.54617279     -9.11735831
  O     12.91455055      5.15546212     -9.97333392
  H     17.20054629      9.87951952     -9.26245054
  H     12.30058707      4.45149577     -9.78241051
          69
 Energy    -248.17468670309808     
  O     15.84267990      5.59162838    -13.60748201
  H     15.82940730      5.69563147    -14.57445753
  H     17.66252695      6.00012851    -13.09709777
  O     17.04894012     12.73521438    -11.23826014
  H     15.47803456      4.72906001    -13.42426250
  H     20.06417085      9.73769844    -16.57973847
  O     20.97754286      9.15017395    -15.16980751
  H     17.47258722     12.77895310    -12.10419626
  H     19.25827788      9.38516515    -17.88059195
  O     15.92356263      7.61342546    -18.65386771
  H     16.10323324     12.84606525    -11.40042749
  H     18.08490667      9.27164530    -16.13823080
  O     14.48555145     10.15870877    -10.61798529
  H     20.45861547      9.54952274    -14.45758170
  H     17.86037990      7.80407677    -15.71291543
  O     15.28968957      7.99841104    -12.24577291
  H     21.00020181      8.20809444    -14.96344068
  H     16.76530341     12.47638433    -17.05795767
  O     17.86721424     12.51691561    -13.95833531
  H     15.53463767      8.40677046    -18.24021941
  H     15.48845580     12.38840760    -16.20788511
  O     20.66862019      6.38562935    -14.49555505
  H     15.30031132      7.32292745    -19.31483679
  H     17.69069962      9.20097885    -10.60936479
  O     15.06889289      9.36013905    -14.67191852
  H     14.58305170      9.35992129    -11.15233831
  H     18.31026784      9.13971559    -12.02546153
  O     18.74585391      6.23193170    -16.50430474
  H     15.30824703     10.24445624    -10.11978781
  H     15.15676500     10.63050396    -17.48431528
  O     16.05164548      5.81335789    -16.31418725
  H     15.35257598      7.12806920    -12.65822201
  H     14.67087824      9.53908106    -16.51483574
  O     18.53442687      6.31702401    -12.83537243
  H     16.18179334      8.21343513    -11.93529744
  H     17.17115607     11.39018217    -10.12582156
  O     19.40304588     10.06501837    -17.21266307
  H     18.23650452     12.69162341    -14.83189576
  H     17.39560759     10.89666318     -8.67691331
  O     17.60511304      8.71133018    -15.51433458
  H     16.91687787     12.38004286    -14.09519848
  H     18.61291761     10.91631913    -13.54751048
  O     15.82216993     12.28763435    -17.11016557
  H     21.34209768      5.79622427    -14.16713319
  H     18.44411340      9.47798191    -14.09750269
  O     17.87786183      8.60323278    -11.34269319
  H     19.93337957      6.35515576    -13.85553602
  H     13.47957921     13.06726537    -11.40318381
  O     14.82458614      9.72193711    -17.45020088
  H     15.94669919      9.12900738    -15.01378876
  H     14.23135648     11.71496383    -11.36747620
  O     17.11149810     10.61272429     -9.54141065
  H     14.99709883      8.91708285    -13.81844548
  H     17.70887133      7.79257907    -18.80164797
  O     18.92455506     10.00731464    -13.44317799
  H     19.51672815      6.23688189    -15.92299580
  H     18.93350050      7.65602661    -19.73604122
  O     14.22856986     12.60344905    -11.76710361
  H     18.95991530      6.71486847    -17.31112253
  H     15.07250282     11.13755395    -14.45029415
  O     18.67805822      7.86359455    -18.84048602
  H     15.80361695      6.40736230    -17.02875588
  H     14.73061085     12.34765945    -13.53833797
  O     15.15993515     12.09918780    -14.36522979
  H     17.01578187      5.74029535    -16.38602033
  H     19.23046492     13.25944160    -17.15644059
  O     18.66950358     12.65228403    -16.67998243
  H     18.38170251      7.02545300    -12.19600478
  H     18.96214478     11.75702238    -16.91953535
          69
 Energy    -248.17463225946568     
  O      2.80603213      2.08641008      0.43882273
  H      2.25980652      2.86075136      0.23185601
  H      2.16853082      1.03529970     -1.02999943
  O      5.05366946      5.51858397     -0.07153474
  H      2.35329596      1.53423776      1.08967207
  H     -2.39932101      3.63238688      2.83740589
  O      4.04236192     -0.72329941      2.55991382
  H      5.00077638      4.89484334      0.66449031
  H     -1.49142751      4.42401358      1.87130206
  O      1.57557867      6.32959586      1.65453783
  H      5.24990009      4.99251703     -0.85458197
  H      4.17283693      1.61336620     -0.57648230
  O      3.39988328      7.65351290      0.01077779
  H      4.72455412     -0.13091989      2.20525178
  H      4.31693050      0.65505040     -1.75418227
  O      1.46707162      7.10286196     -2.06402704
  H      4.50921631     -1.39700543      3.04747449
  H     -1.24642444      6.20173324      0.24447436
  O     -1.17635209      6.54727034     -1.63459771
  H      2.21294967      6.88851766      1.19093480
  H     -0.25786045      6.24175858      1.42897506
  O      1.48937362      4.27796449     -0.26240230
  H      2.03170555      5.89187506      2.38435617
  H      1.35416544      1.73971738     -2.93891110
  O     -0.82343487      3.72546767     -1.68865619
  H      3.92384132      8.44671604      0.08304456
  H      0.32548568      2.89002385     -2.95724292
  O     -0.06559734     -0.61116815      0.14782154
  H      4.02545803      6.90843793     -0.04783635
  H      5.24128969      2.89394485     -2.00092459
  O      2.76930446      4.77094277      3.68977889
  H      2.08518437      7.41156875     -1.39205238
  H      6.10656722      3.75643596     -2.94548005
  O      1.87966739      0.40310810     -1.69994242
  H      1.90502675      6.35206050     -2.48990061
  H      3.62889695      4.44135355     -2.71065166
  O     -1.62232989      3.55452717      2.28940311
  H     -1.70072278      7.18948552     -2.10549692
  H      2.19609860      3.95756249     -3.09445637
  O      4.80595281      1.30652221     -1.24769239
  H     -0.24484982      6.77928207     -1.79686110
  H      3.98961212      3.06003682      1.44836330
  O     -1.15652221      5.98517477      1.18002297
  H      1.47570985      5.00895297      0.36594397
  H      4.13374443      4.01769075      2.64111879
  O      1.13137147      2.56787095     -3.38295621
  H      1.96221322      4.55857413     -1.05913865
  H      5.66723014      1.95567809      1.74233345
  O      5.37487539      3.79549530     -2.33400865
  H     -0.05497227      3.84247642     -1.10727628
  H      5.79583699      1.04258408      0.50608946
  O      2.70475258      4.70809484     -2.74714264
  H     -1.15275291      4.61994359     -1.82792689
  H      2.38242383     -0.09618687      2.38724234
  O      4.63679822      3.58715777      1.93868104
  H     -0.59670362      0.20737351      0.12997113
  H      1.02292308     -0.08719914      1.59059454
  O      5.87683482      1.05359879      1.46616483
  H     -0.68101031     -1.33738221      0.09834332
  H     -1.53329518      2.26536224      0.91917074
  O      1.56787169      0.40268870      2.21921552
  H      2.09597849      4.06805256      3.61492328
  H     -1.35695781      2.32455205     -0.60364121
  O     -1.43067513      1.70914244      0.13761527
  H      2.84284175      4.98344054      4.61625531
  H      1.08570236      1.96259146      3.08985025
  O      0.90650102      2.86966105      3.36914874
  H      1.20854794     -0.11918900     -1.24417611
  H      0.03384521      3.09723181      3.02567263
          69
 Energy    -248.17444972847014     
  O     16.89949353     10.63651757    -10.50406413
  H     16.11078075     10.44807209    -11.03533698
  H     18.39385397      5.36635508    -14.08108561
  O     14.84198944      4.91795461     -7.45886059
  H     17.64325474     10.26174218    -10.99598955
  H     15.60664548      5.61274069     -9.00830802
  O     12.54864584      6.57373670     -7.93677091
  H     14.88411707      4.05547560     -7.05538379
  H     15.88846448      7.10076132     -9.31626747
  O     14.80249090      9.79303748    -12.05705155
  H     15.10441652      5.56165781     -6.77503923
  H     18.46268412      7.96178402    -14.08383610
  O     19.18994052      9.41385360    -11.49892221
  H     12.64871459      7.21135498     -7.21984396
  H     18.82584162      9.24317800    -13.32401333
  O     18.38020173      6.83839954    -10.85523541
  H     13.25515153      5.92788118     -7.81921678
  H     17.34861645     11.58593341     -6.91803132
  O     11.75321868      7.41973902    -10.37517597
  H     15.09238382      9.85352822    -12.97622290
  H     18.27742985     11.92629451     -5.72739101
  O     16.06361274     11.99242670     -8.05332631
  H     14.62666059      8.85517963    -11.89130420
  H     15.79163707     10.09308016    -15.46748655
  O     12.55148535     10.17647792    -10.32589900
  H     18.93462119      8.51174168    -11.24503583
  H     16.81637106      9.43878254    -14.51037809
  O     13.84180084     10.24511065     -7.91152423
  H     19.70983786      9.77403471    -10.77517110
  H     16.39169241      9.34092169     -9.27015658
  O     13.10753591      8.53401221     -5.92161601
  H     17.54822886      6.54640703    -10.45740070
  H     16.55766751      8.64024716     -7.87919561
  O     18.12788616      6.12957999    -13.57530468
  H     18.37750097      6.49978988    -11.76024534
  H     18.52397594     10.75355651     -9.34847381
  O     15.91308984      6.20888831     -9.70130262
  H     12.00961822      7.10725032     -9.48876093
  H     19.13817529     10.87031601     -7.95733631
  O     18.44969030      8.92451327    -14.15488528
  H     10.87991811      7.07747130    -10.54613900
  H     16.21361182      7.39033033     -5.78867185
  O     18.10217921     11.26469530     -6.39119551
  H     16.29072574     11.79624588     -8.96898121
  H     14.67300764      7.46417164     -5.63421443
  O     15.86757858      9.61031211    -14.64890456
  H     15.21340594     11.55725686     -7.90259289
  H     14.77616209      6.68220765    -11.02090924
  O     15.99367366      8.70576573     -8.66226699
  H     12.17938174      9.28649490    -10.37225134
  H     13.31340821      7.12731221    -11.31146829
  O     19.33402594     10.57506833     -8.85574906
  H     13.24086388     10.20867080    -11.00103150
  H     19.51335189      8.70814136     -8.52806693
  O     15.41944031      6.85334114     -5.66481067
  H     14.55742000      9.63746543     -8.15633557
  H     19.18180112      7.32072887     -9.11905295
  O     14.20145734      7.08462944    -11.68705397
  H     13.28719495     10.33218679     -8.70074017
  H     17.79881076      9.39759627     -6.23332968
  O     19.42281636      7.77228697     -8.30236358
  H     12.53317668      8.92180546     -5.26641853
  H     18.29898918      8.10023388     -6.94385632
  O     17.58897275      8.46981855     -6.39478089
  H     13.31011920      9.23279713     -6.56681459
  H     15.54628255      7.70100136    -14.42287530
  O     15.55184923      6.79106141    -14.10333744
  H     17.18572496      6.28307216    -13.77105343
  H     14.99284584      6.78719265    -13.31360402
          69
 Energy    -248.17443419035908     
  O     14.43503619      5.10517813     -8.95909446
  H     14.50769167      6.00776820     -8.62965206
  H     17.04500329      9.43709379    -12.73375927
  O     14.81451414      7.92636265    -16.21549647
  H     15.26960926      4.93478333     -9.41763004
  H     13.85284766      8.06134343    -11.49890895
  O     17.80363080      8.77747433    -14.24658634
  H     15.35432240      8.69795576    -16.42622587
  H     15.19420970      8.51099548    -12.13783725
  O     15.16359899     12.01504407    -12.27972438
  H     14.08424156      8.25825469    -15.68113820
  H     13.23455966      4.90792107    -10.30983555
  O     10.65824322      7.73181826    -13.76761531
  H     17.37343737      7.92122712    -14.39604745
  H     13.40752906      4.87138797    -11.83540292
  O     19.30023375      4.40546664    -11.50930831
  H     18.71414219      8.59859888    -13.97775799
  H     21.20122513      8.26795308    -13.37840414
  O     17.14085481      7.82415515     -9.87557672
  H     14.97051781     11.87220463    -13.22529005
  H     20.12421990      7.75208440    -12.39440716
  O     12.63907604     10.73493715    -11.77206961
  H     15.33324733     12.94639993    -12.16781898
  H     15.66721154      5.11953996    -12.01742732
  O     19.15212932      5.41919835    -14.02579063
  H     10.14844081      7.09856662    -14.26843599
  H     14.78788719      6.23968904    -12.61101149
  O     14.56683214     11.37284940    -14.81991247
  H     10.67510202      7.39938419    -12.85810006
  H     17.25878307     10.37086776    -17.00129354
  O     12.96854762      9.11998567    -14.28675160
  H     19.23399775      4.67922740    -12.44179935
  H     17.13074090      9.72824035    -15.59943939
  O     16.58795963      9.63049523    -11.90324240
  H     19.81818447      3.60557642    -11.49161351
  H     15.96301760      6.76363015    -15.40774134
  O     14.42325831      7.94345348    -12.26855283
  H     17.00453600      8.51153989    -10.54352461
  H     16.07968668      5.87504359    -14.14265060
  O     12.73886039      4.90847785    -11.14251534
  H     16.39698421      7.89042908     -9.26412854
  H     18.93357218      7.42854400    -10.35631590
  O     20.29176709      7.98796135    -13.32506873
  H     12.52602286     10.34594690    -12.64567645
  H     19.67521863      6.18897708    -10.90520998
  O     15.06567526      5.31960092    -12.74857729
  H     13.45425569     11.24918384    -11.82532587
  H     10.07134676      6.41637651    -10.62532470
  O     16.63278313     10.16226668    -16.31273541
  H     18.29360651      5.63344767    -14.41487368
  H     11.47703627      6.03722065    -11.15714102
  O     16.59902737      6.34347323    -14.81122319
  H     19.62470874      6.25556927    -13.93990187
  H     16.91119491      6.04958048    -10.35670661
  O     19.73743457      7.14826479    -10.81194095
  H     13.93175470     10.64631990    -14.75607357
  H     17.61917115      4.74696888    -10.81457524
  O     10.81180707      6.75119054    -11.12420759
  H     15.27081011     11.06636026    -15.40470548
  H     14.00133084      8.19279455     -8.92739048
  O     16.76670013      5.11210164    -10.54946759
  H     13.52888435      8.68919445    -13.62225607
  H     14.56663129      8.30522819     -7.49443173
  O     14.74052063      7.92886865     -8.35398966
  H     12.10719895      8.68184458    -14.23889470
  H     12.62171520      9.40115598    -10.58560055
  O     12.72600007      8.56213728    -10.10993516
  H     16.17818025     10.50162928    -11.97645003
  H     11.99388708      7.98617468    -10.36330275
          69
 Energy    -248.17434339542240     
  O     12.76125719      8.33479578     -9.93976022
  H     12.81529548      8.88221768    -10.74302676
  H     15.25081975      8.02504697    -15.85938059
  O     16.19839414      5.06817878    -14.93567585
  H     11.90759495      8.50301378     -9.54908078
  H     17.37211678     10.94297707    -13.77336946
  O     15.88422464     11.44295301    -10.74293298
  H     16.69008361      4.69880460    -14.19237431
  H     16.82199729      9.78129551    -14.62530087
  O     18.36175235     11.03405912    -12.18444963
  H     16.47477447      5.98994269    -14.98706515
  H     15.01934535      7.25787444    -12.07016624
  O     10.92684088     10.90485858    -15.50909662
  H     15.32289128     11.78392983    -11.44870290
  H     14.74785916      8.74373261    -12.36322929
  O     16.42367442      5.22702329    -10.55829675
  H     16.76992288     11.41603991    -11.12301348
  H     13.33467247      5.93792296    -12.06373115
  O     12.19820035      8.64570490    -14.58609235
  H     19.24557907     11.34966785    -12.01496546
  H     13.41978004      6.71400145    -10.71319560
  O     14.49551839     11.92436275    -13.21275443
  H     18.32143945     10.11795558    -11.85839066
  H     17.32429205      4.67285087    -11.92548235
  O     14.84890138     10.86927620    -16.59865537
  H     10.15917334     11.27217688    -15.94012838
  H     18.23702418      3.56630208    -12.50119611
  O     13.77295687      5.29066966    -16.08710448
  H     11.61032245     11.59056388    -15.54128896
  H     12.85181023      5.62088645    -14.41944928
  O     16.75438148      7.91526848    -14.77949914
  H     16.70779747      5.90739726     -9.93748346
  H     12.20170472      6.89573952    -13.88345312
  O     14.38077278      8.06300343    -16.28031180
  H     15.48283849      5.37993117    -10.72446235
  H     17.06042762      8.36062768    -11.69819658
  O     16.73722705     10.73109662    -14.46988486
  H     12.94160139      8.50656595    -15.18786062
  H     17.93868017      8.12009875    -10.45863900
  O     15.42195635      8.05770185    -12.43222507
  H     11.66169666      9.36534057    -14.94672087
  H     18.68829839      6.00445132    -13.27370558
  O     13.86877095      6.06032815    -11.26309232
  H     13.96084517     12.31124219    -13.91501266
  H     18.77070716      7.42927798    -12.70452005
  O     17.81553376      4.39324229    -12.71880741
  H     15.25360569     11.50978895    -13.64996410
  H     17.58201062      7.35179044     -7.98148148
  O     12.46771548      6.00430635    -13.62258622
  H     15.61066841     10.91047025    -16.00580517
  H     16.55730418      8.07176318     -8.89139869
  O     17.96138789      8.47094154    -11.35681185
  H     14.61683570      9.93524537    -16.67212018
  H     15.49587624     10.04745132     -9.59829667
  O     18.93321299      6.91009574    -13.50390901
  H     14.63721482      5.09185598    -15.68273097
  H     14.43746873      8.96344343     -9.26253285
  O     17.27211250      7.40736462     -8.88077498
  H     13.58642623      4.58462809    -16.69987341
  H     13.23307396     13.51715741    -16.03664246
  O     15.33240831      9.25841049     -9.06196877
  H     17.63518965      7.61812053    -14.50329433
  H     13.70825250     12.04362151    -16.04357219
  O     13.10609352     12.67512377    -15.60732757
  H     16.20442200      7.91836285    -13.97662711
  H     12.75527128      9.32198771    -13.04859383
  O     13.15485672      9.70702790    -12.25477492
  H     14.10109639      7.14391062    -16.38331527
  H     13.53618496     10.55527081    -12.51317989
          69
 Ord_Energy   -248.174042    
 O    1.17493796     -0.886647880      -2.31918240    
 H    1.58002746     -0.299914837      -1.65587914    
 H    1.82887983      -1.01927006      -3.00042653    
 O    3.15794088E-02   2.65124297     -0.186015204    
 H    5.86066209E-02   3.33061290      0.497384667    
 H  -0.452691615       1.89147937      0.176793814    
 O  -0.756524086      -2.09693122       4.20237589    
 H   -1.23882520      -1.48352611       4.76787567    
 H   0.174676299      -1.97573447       4.44501257    
 O   -3.66552377      -8.14312473E-02   1.95982420    
 H   -4.34412336       2.28374694E-02   1.28347468    
 H   -3.53477836      -1.02689517       2.13360476    
 O    2.17159128      0.256229103       2.32492447    
 H    1.57311141     -0.453003019       2.03844500    
 H    1.59661007      0.948521674       2.67664933    
 O    1.80871248      -1.19016623       4.80708361    
 H    2.15565944     -0.794811249       3.99719501    
 H    1.57952440     -0.440812707       5.36816359    
 O   -8.95247236E-02   4.45812893       1.95686853    
 H    4.89658788E-02   5.39600134       2.04744124    
 H   -1.05394292       4.30473852       1.99872172    
 O    2.17228198      0.841118395     -0.475150406    
 H    2.37287784      0.639611185      0.446872711    
 H    1.54235125       1.57331443     -0.445952237    
 O   0.234164447      -1.55679035       1.65014195    
 H  -0.163119704      -1.77672946       2.50172329    
 H  -0.328672111     -0.885211587       1.23506486    
 O   -3.72376919      -1.57067859      -1.49442363    
 H   -2.98380160      -1.12971783      -1.93459368    
 H   -3.34957170      -2.33381915      -1.03839314    
 O   -1.34530485      0.344677866      0.460832238    
 H   -2.18683171      0.260928601      0.926533043    
 H   -1.48837709       8.78613293E-02 -0.459584504    
 O   -5.24847460      0.306088686     -0.308424652    
 H   -6.16805744      0.188834146     -0.529778481    
 H   -4.75389099     -0.391957492     -0.775650978    
 O   0.311336488       2.12175870       3.46954274    
 H   0.329542130       2.97835922       3.02637410    
 H  -0.615997016       1.83969200       3.46818161    
 O   0.749047220       1.22677541       6.02796030    
 H   0.671328247       1.61965060       5.14117670    
 H    1.25248051       1.83889866       6.55851889    
 O   -3.75763011       2.77106762     -0.287146628    
 H   -3.15808201       2.74242210      -1.04028440    
 H   -4.30735207       1.98077393     -0.347757310    
 O   -1.66261637       2.70675850      -2.33315468    
 H   -1.52738166       3.43553638      -2.93325043    
 H   -1.00193524       2.79683065      -1.62454081    
 O   -2.39178491       1.50173986       3.74838853    
 H   -2.33743382       1.02616823       4.58436298    
 H   -2.90119839      0.940681994       3.14289165    
 O   -1.73243022      -5.23119383E-02   6.01470709    
 H   -2.09390712     -0.234773204       6.87891293    
 H  -0.871618748      0.374219686       6.15269756    
 O   -1.51670992      -9.92035270E-02  -2.31823206    
 H   -1.57855833      0.848711014      -2.49422050    
 H  -0.594240606     -0.364919037      -2.43074989    
 O   0.160198331      -3.02262974     -0.673080206    
 H   0.315918505      -2.61610889      0.193187758    
 H   0.533917725      -2.40861511      -1.31364453    
 O   -2.40586185      -3.71459460     -0.148895532    
 H   -1.48513794      -3.50676012     -0.386974007    
 H   -2.54078197      -4.63432169     -0.363472760    
 O   -2.66549516       3.77826095       2.07174134    
 H   -3.09832811       3.45685101       1.26713884    
 H   -2.72304034       3.07073212       2.72540259    
 O   -3.00694227      -2.67287230       2.44842601    
 H   -2.74165463      -3.09371972       1.62043190    
 H   -2.25024962      -2.70468402       3.04478121    
          69
 Energy    -248.17394028207741     
  O     16.90002179      6.91517722    -14.08709216
  H     17.31803504      7.08698350    -14.94062992
  H     13.50052471      8.61947042    -15.79595880
  O     12.62900579     11.05066894    -10.81767261
  H     16.18709516      6.27465784    -14.20579914
  H     12.80949594     11.92422909    -14.30489859
  O     18.19294855      7.78262872    -16.38042017
  H     13.26439409     10.31318868    -10.81795117
  H     11.78056541     12.19885984    -15.42918987
  O     11.18502830      9.80580248    -12.92153771
  H     12.46375101     11.27305602     -9.90541702
  H     16.00356112      6.33800854     -8.60454635
  O     14.66847802      5.26892104    -14.03336660
  H     18.77890932      7.41137043    -17.03413115
  H     16.38436496      6.36983710     -7.11512359
  O     17.93828025      7.20137383    -11.55729761
  H     18.72671606      8.38918102    -15.83230258
  H     14.74086971      9.12862907    -11.96278918
  O     19.90176605      9.20280443    -12.00997197
  H     11.55665991     10.25275053    -12.15095431
  H     15.19351176      9.01791647    -10.47374124
  O     16.77009395      8.89004694     -9.64080934
  H     11.43700795     10.34249081    -13.68239581
  H     17.01699695     11.94134481    -13.84377844
  O     11.20931957      7.11054371    -12.99550033
  H     14.33469093      5.66615956    -13.21035118
  H     16.16532888     10.82390310    -13.21399314
  O     16.49430527     10.06878478    -16.86757752
  H     14.62960470      4.32278077    -13.91598048
  H     16.01585535      8.46148140    -13.72504842
  O     12.81899779      7.02203095    -15.36801335
  H     18.71429374      7.76502723    -11.66873180
  H     14.88958054      9.33819951    -14.33686684
  O     13.94695160      9.47661604    -15.86734697
  H     17.60639243      7.04323552    -12.45298121
  H     19.05723992     10.41015114    -14.92417059
  O     12.23380826     11.49903033    -14.96706172
  H     19.33250858      9.89027156    -11.61810428
  H     19.64011508      9.44053610    -13.85897229
  O     16.09689779      6.92492507     -7.83506695
  H     20.76241613      9.29926245    -11.61069065
  H     17.38673322     11.28786934    -15.99946285
  O     14.41941398      9.02665564    -11.05296721
  H     16.57741442      8.33556040     -8.87173093
  H     18.22522416     12.58845121    -16.02742383
  O     16.49304424     11.72398603    -13.06258034
  H     17.18079267      8.30756510    -10.29742128
  H     13.91602505      7.32641950    -11.43966062
  O     15.44910893      9.22417206    -13.55729825
  H     11.17517036      8.08358570    -12.95109804
  H     12.75240546      6.56905353    -12.09865303
  O     19.47206521      9.54717219    -14.80285034
  H     10.31068652      6.80215781    -12.91565035
  H     17.63489751     10.40132815    -10.34784372
  O     17.94309599     11.87772172    -15.45813887
  H     16.97552936      9.23440617    -16.82354641
  H     17.57227118     11.33656504    -11.58719960
  O     13.65152968      6.45327168    -11.76354939
  H     15.57820549      9.87064288    -16.62982854
  H     13.43229696     12.13592174    -12.17784800
  O     18.16926831     10.96326880    -10.92522438
  H     12.18282739      7.05134032    -14.64263130
  H     14.73822920     12.36819306    -12.97979273
  O     13.78214507     12.50560435    -12.99778389
  H     13.47179747      6.36439587    -15.10155939
  H     16.67395733      5.98233352    -10.70863076
  O     15.95295319      5.54900905    -10.23356875
  H     13.30589100     10.16883620    -15.66265019
  H     15.14319325      5.74204833    -10.72036055
          69
 Energy    -248.17387010797535     
  O     -2.34904968      1.85670272      1.71451811
  H     -1.47252559      1.64871018      1.33855969
  H     -2.11425118     -3.30422767     -1.47697590
  O     -2.32876721     -0.93690478      6.63058025
  H     -2.53143940      2.76731565      1.49999188
  H     -2.37367631     -5.29466832     -0.07695433
  O      2.04689321      0.43158464      2.49401784
  H     -2.51351897     -0.37351583      5.86905561
  H     -3.05760034     -6.64122595      0.26379587
  O     -2.75041366      0.33715155      4.08101331
  H     -1.44830033     -1.30911244      6.49011993
  H      2.02642498     -2.72182478      1.47753730
  O      2.27841698     -3.55361244      4.69686536
  H      1.30738447      0.18836694      3.07987393
  H      2.44370497     -1.42286108      2.20892821
  O     -3.94795240     -3.08201508      6.95720164
  H      2.61426669      1.01513756      2.99172356
  H     -1.74095335     -1.43501380      1.35713228
  O     -0.01879551     -2.40712835      5.79695325
  H     -3.31648652     -0.37494508      3.74928214
  H     -0.68152875     -1.46474378      2.49808644
  O      0.34734996     -5.60827425      4.11030554
  H     -2.68766005      0.98931383      3.37161009
  H     -2.84246633     -4.69196668      2.03269478
  O     -5.95216739     -2.28749055      5.15248944
  H      3.15294844     -3.81202860      4.97587245
  H     -2.10587622     -3.36639471      2.37017281
  O      0.00398585      1.14569446      0.64669279
  H      2.37383866     -3.15471900      3.81382476
  H      0.66277257     -4.23839788      0.55400080
  O      0.20697516     -5.75284631      1.33859534
  H     -3.98533192     -3.31915395      7.88040715
  H      0.06078002     -2.82736579      0.76441063
  O     -1.71914010     -4.14110658     -1.20455313
  H     -3.40480536     -2.27468555      6.89693551
  H     -3.90697495     -2.54495200      2.88118559
  O     -2.62519304     -5.88721238      0.65474286
  H     -0.68083381     -3.09005224      5.61172410
  H     -5.03756073     -1.84265164      3.67245049
  O      2.48916532     -2.38535665      2.25338060
  H      0.83837967     -2.78690622      5.56319726
  H      0.00047356     -1.11484679      4.58594344
  O     -1.09796495     -1.99487424      1.80796384
  H     -0.43798968     -5.33361174      4.59730062
  H     -0.99197147     -0.06757096      4.00624383
  O     -2.80368259     -3.96878016      2.67039185
  H      1.03887914     -4.97613586      4.34035403
  H     -0.77260479     -1.10640602     -1.55950889
  O      0.68488089     -3.32851226      0.21347906
  H     -5.32219126     -2.61469990      5.81207597
  H      0.48266556     -1.71588160     -0.90409840
  O     -4.36928884     -1.70101116      2.98828280
  H     -6.78487164     -2.18648411      5.60668277
  H     -2.97245713     -1.17548102     -0.93919794
  O     -0.09878098     -0.42483023      3.91486168
  H      0.05407086      0.49060641     -0.06453221
  H     -3.21398465     -1.18299620     -2.46689301
  O      0.10960987     -0.89011834     -1.23454203
  H      0.78158392      0.99832849      1.19633682
  H     -2.68679987     -4.06837951      5.85534732
  O     -2.64910508     -1.53348930     -1.78285585
  H      0.28368502     -5.77049633      2.30402558
  H     -2.31077142     -4.25362147      4.36419691
  O     -1.96799168     -4.32516169      5.26813350
  H     -0.70790909     -5.97943392      1.14250043
  H     -3.08336139      0.33410341      0.95966293
  O     -3.32058106     -0.56275119      0.69009921
  H     -0.83145329     -3.92606407     -0.89429057
  H     -3.84815205     -0.94778344      1.40454199
          69
 Energy    -248.17377906166735     
  O     16.16053278     11.00492546    -15.16295489
  H     16.07906111     11.71379056    -15.82026853
  H     15.97917281     13.96755331    -16.61752163
  O     17.80173270     17.82501053    -16.16336561
  H     15.58254157     10.30069911    -15.44827458
  H     18.14156733     11.66420597    -10.88562507
  O     20.49058972     11.57877499    -16.31871850
  H     18.27012681     17.89067474    -15.31358860
  H     17.85558656     13.08862569    -10.36024623
  O     18.97228515     14.74193559    -10.32103421
  H     17.64629926     18.71890057    -16.45734483
  H     21.91422702     17.95458835    -12.34913237
  O     14.97811863     15.41183423    -13.17051413
  H     19.88007286     12.13398357    -16.83919416
  H     20.95624053     17.89200992    -11.14601231
  O     19.54846866     10.62436059    -11.61236206
  H     21.07985738     11.15846487    -16.93825717
  H     20.88942141     13.25170311    -12.56626605
  O     15.96812222     12.75911896    -12.91819975
  H     19.60933146     14.20602815    -10.81758615
  H     20.53163535     12.21627867    -11.48217901
  O     18.80315939     13.20027085    -17.61084629
  H     18.42742347     15.23197202    -10.95496403
  H     18.96572270     16.52212490    -17.03921344
  O     21.17039069     16.13571930    -14.89286640
  H     15.14851330     14.47286023    -13.00754348
  H     20.28763448     15.92141853    -16.55923034
  O     20.74663703     16.73423380     -9.61392574
  H     15.20846336     15.54719958    -14.09743132
  H     24.17798689     16.94088212    -13.16324867
  O     20.77374586     13.47755368    -14.29444847
  H     19.30133456     10.57765930    -12.55325431
  H     23.11100100     16.14011694    -12.37878601
  O     15.93770947     13.08707178    -17.02996503
  H     19.77357525      9.73806786    -11.34264027
  H     19.79508783     18.11821206    -13.16121402
  O     17.43020171     12.27876083    -10.66481762
  H     16.38841574     12.49235473    -12.08551462
  H     18.51051862     17.25443718    -13.19463218
  O     21.11634989     18.35190746    -11.97962205
  H     15.91670285     12.00131077    -13.50896472
  H     22.17502217     14.35765463    -11.15891356
  O     20.85976158     13.11423272    -11.60663241
  H     17.85245213     13.16129111    -17.47536983
  H     22.14562500     15.70620272    -10.41683184
  O     19.60096759     15.82343781    -17.23130753
  H     19.06227632     14.13173716    -17.53418986
  H     17.93435391     10.66920903    -14.57053778
  O     23.24267750     16.76340541    -13.11608620
  H     20.44608266     16.64651706    -14.50557677
  H     19.42131319     10.82637171    -14.95151178
  O     19.12572338     17.74791261    -13.75524937
  H     21.96370819     16.36498572    -14.39184074
  H     18.94081941     13.74133446    -14.19212788
  O     22.68645117     15.16297867    -11.00378019
  H     20.64693430     17.01374787     -8.70732964
  H     17.45792503     13.51845500    -13.68867584
  O     18.83165969     10.56065864    -14.23520747
  H     20.06742726     16.05762854     -9.77153087
  H     16.99353458     15.01406999    -15.23316001
  O     18.06160322     14.12864003    -14.13540563
  H     20.96987636     14.37586187    -14.59634120
  H     16.67959344     16.32495810    -15.98685783
  O     16.31410350     15.46104677    -15.76564363
  H     20.83505017     12.86734891    -15.03843647
  H     17.84415800     15.39081345    -12.91626242
  O     17.52076198     16.05426519    -12.28551648
  H     15.37292535     13.17175016    -17.79450875
  H     16.55985165     16.02924848    -12.38731186
          69
 Energy    -248.17372534280918     
  O     -8.59551839     -1.75232609      5.93047326
  H     -7.83087278     -1.17922320      6.04648662
  H     -2.87333729      0.87039645      2.25856277
  O    -10.35218017     -2.46663482      2.51613040
  H     -9.27779034     -1.20189628      5.51968830
  H     -7.22681107     -0.77039035      2.97138904
  O     -8.41449585     -3.82445243      4.15465584
  H     -9.78255211     -3.07317068      3.00262761
  H     -7.53762717      0.67535775      2.45866885
  O     -5.31886697      0.37251874      0.26935914
  H    -10.47402727     -1.70909663      3.10495597
  H     -0.65996822      2.17623842      1.75291392
  O     -6.39980697      0.21831587      5.64915431
  H     -8.46874933     -3.14606303      4.85133588
  H     -1.95423398      2.84767920      2.27538079
  O     -4.60774364      4.94329858      1.08717118
  H     -8.44387291     -4.67046327      4.59319120
  H     -8.61028358      3.14971939      5.10631163
  O    -10.21335201      1.58559275      0.69940700
  H     -5.69079585     -0.48969926      0.05240006
  H     -8.18246830      3.77412079      3.75517137
  O     -4.53235619     -1.42416966      4.50756809
  H     -6.07612343      0.94130835      0.47954859
  H    -10.33537671      2.77450561      3.60891596
  O     -3.71744092      2.69088114     -0.16063095
  H     -6.87817458      0.27783438      4.80476730
  H    -11.88300496      2.77059345      3.54730763
  O    -10.17629680     -0.20684936      4.18809881
  H     -5.66079810     -0.38298440      5.47235992
  H     -7.13023571     -3.01571545      3.09194853
  O     -6.77352748     -2.04929058     -0.07368303
  H     -4.51465778      5.69393871      0.50690195
  H     -6.54427125     -2.45952775      1.74432089
  O     -3.67764671      0.41801100      2.54033788
  H     -4.33764731      4.15862706      0.57698996
  H     -9.62794321     -0.28049313      0.40607929
  O     -7.61767513      0.08096049      3.21227344
  H    -10.82103384      1.92699559      0.04716106
  H     -9.70152961     -1.68768724      1.03563455
  O     -1.61078781      2.14041847      1.70013626
  H    -10.57883972      1.81735273      1.56792686
  H     -7.34732087      1.58405479      6.40886209
  O     -8.94936096      3.48983548      4.26640340
  H     -5.13374837     -1.92477388      3.93944725
  H     -7.76518180      2.55709043      7.52036853
  O    -11.10860435      2.31668483      3.22681435
  H     -4.05838219     -0.84504725      3.89591566
  H     -3.42554278      4.49388019      2.55382824
  O     -6.47727775     -2.41654584      2.70598174
  H     -2.90866938      2.47432245      0.32054920
  H     -3.51183214      3.52908802      3.75019056
  O     -9.28732963     -1.17555559      0.32373698
  H     -4.23913859      1.87871117     -0.17969962
  H     -5.31881693      1.75483190      4.90636027
  O     -7.86529134      2.38295748      6.58740074
  H     -9.28768806     -0.09931096      3.81035969
  H     -4.49005188      1.62513499      3.61611465
  O     -2.88717038      4.02124422      3.20124761
  H    -10.64157577      0.61131953      3.99041390
  H     -7.23861312      2.65303050      1.60624396
  O     -4.88528685      2.27122219      4.22170887
  H     -6.77265277     -2.65794893     -0.80738034
  H     -8.39584114      1.89235493      0.86220734
  O     -7.45490361      1.87497953      1.07338463
  H     -7.68714931     -1.71900776      0.01594787
  H     -6.03591866      3.34401875      3.31893656
  O     -6.60014912      3.88967627      2.75003832
  H     -4.23876873      0.32188157      1.75822782
  H     -6.00500285      4.39240543      2.17995368
          69
 Energy    -248.17361044384947     
  O     16.84495858     10.52919900    -10.87477740
  H     16.38716452      9.92363875    -10.26886138
  H     13.68309636     10.49830333     -8.01556819
  O     14.44619940      5.40756865     -7.70168288
  H     17.72662975     10.15660488    -11.00857523
  H     18.98044215      4.88471261    -13.56877606
  O     16.78945868     12.70443800     -9.20787472
  H     14.21486714      4.58297987     -7.28119757
  H     17.72578605      5.78546685    -13.47364486
  O     12.33517718      7.16519658     -8.60437018
  H     15.21683890      5.75673337     -7.22174626
  H     15.17716513      5.74692876     -9.38245327
  O     15.00757498      9.61567897    -12.76335197
  H     16.79374273     12.00483390     -9.88307469
  H     15.08642096      6.32670165    -10.84730322
  O     19.23233287      9.13961922    -11.06348276
  H     16.63947834     13.52806663     -9.66482461
  H     19.20300418      8.82681473    -12.90814298
  O     20.69053247      9.62193800     -8.69146773
  H     13.01002789      6.60252107     -8.21076267
  H     19.03505212      7.48957543    -13.64541781
  O     18.35697415      6.54740776    -10.49340080
  H     12.55830832      8.08057427     -8.37913562
  H     17.88427805      8.65011476     -7.17991473
  O     11.61895568      7.39932360    -11.20143980
  H     15.47252007      9.46386745    -13.59575240
  H     16.56997379      9.16473808     -7.76203847
  O     15.08366109     11.44560381     -7.26190310
  H     15.65576420     10.00775679    -12.16202408
  H     17.50297613      8.83144719    -14.56964557
  O     12.67409083     10.10048241    -11.15780214
  H     19.83523560      9.36044478    -10.34413251
  H     16.74559111      9.27566073    -15.84408039
  O     13.17052754      9.81066398     -8.46216110
  H     18.88733434      8.25552532    -10.86694750
  H     15.60154561      7.86092322     -9.49518506
  O     18.63717577      5.66871582    -13.14879047
  H     21.58336559      9.88605350     -8.48668499
  H     14.71689258      9.05714166     -8.99206279
  O     15.67931702      6.14456950    -10.10371322
  H     20.10493200     10.32487107     -8.35631474
  H     18.28474749     11.98547432     -8.23509091
  O     19.01247734      8.44594323    -13.77532700
  H     18.56987229      6.15462409    -11.34915753
  H     18.26638588     10.72649775     -7.36011787
  O     17.16066369      9.26749805     -6.99818967
  H     17.41726122      6.36520242    -10.34321931
  H     16.53385958      7.41869251     -6.32979914
  O     16.61847121      8.92173201    -14.96799824
  H     10.71403459      7.12985468    -11.33114387
  H     17.54436606      6.43228875     -6.88034228
  O     15.61787964      8.77984500     -9.20624934
  H     11.82327193      7.25894295    -10.25883635
  H     14.46466746      7.90237374    -12.38032278
  O     18.86037330     11.38074870     -7.75328428
  H     15.60885142     11.97129957     -7.87915328
  H     13.24291829      7.03398827    -11.97957535
  O     16.66223111      6.47749308     -6.49371154
  H     15.71116683     10.86413067     -6.82272470
  H     18.87103081      6.99166935     -8.76393885
  O     14.17267811      6.99006430    -12.23553532
  H     12.20528499      9.26324833    -11.26422307
  H     19.76465706      8.02949242     -8.06734475
  O     19.07641426      7.37409071     -7.89881399
  H     13.40621377     10.07028998    -11.78569897
  H     16.24107447      7.08553693    -14.52712645
  O     16.15212421      6.22975850    -14.08914618
  H     12.95525536     10.10369556     -9.36164595
  H     15.39543345      6.32174201    -13.49604343
          69
 Energy    -248.17352240286408     
  O     12.32563730     12.35622560    -11.66723481
  H     12.99512294     12.00052781    -11.07304239
  H     18.79614963      6.79022513    -15.67672036
  O     20.38482638      7.47856512    -12.52126500
  H     11.89273791     11.59403207    -12.07461236
  H     17.54327471     14.02214523    -16.31982262
  O     17.94281670     11.26271574    -12.05114024
  H     20.53404542      8.05857382    -13.28983649
  H     16.64175148     12.80367682    -16.02687955
  O     12.90400496      8.91414573    -11.14374153
  H     21.24372259      7.21055080    -12.20631432
  H     13.74429457      9.75163518    -15.22514479
  O     16.21635203      7.04934846    -12.68573570
  H     17.74875099     11.97257715    -11.43063161
  H     12.45349132     10.36846722    -14.68514894
  O     14.53969781      6.70501508    -10.43916295
  H     17.09106020     11.07414722    -12.48229474
  H     15.28986948      9.99020476    -13.57145466
  O     18.45108247      6.07798610    -14.12211097
  H     13.41400819      9.59555692    -10.69229586
  H     14.97589192     11.50666195    -13.39088956
  O     13.79761396     12.87794584    -13.92735642
  H     13.35404557      8.08164947    -10.95795242
  H     16.86816737      8.66938434     -9.96129115
  O     17.29106929      9.44245467    -16.14702790
  H     15.59638803      6.77405995    -12.00033432
  H     15.66710729      9.57435333     -9.60487726
  O     18.11939654      8.60721928    -11.32882641
  H     16.85673594      7.63165465    -12.25058067
  H     20.20582010      8.46429197    -15.45402860
  O     15.54130276     11.58475957    -16.69080691
  H     14.37472058      5.99868650     -9.82059305
  H     20.15010932      9.84554397    -14.76378515
  O     19.04369803      7.29697442    -16.47143184
  H     15.08453929      7.36733588     -9.97497081
  H     16.69029524     13.93936357    -13.92816036
  O     17.35166651     13.35996108    -15.66016010
  H     19.13546346      6.39752022    -13.52080760
  H     15.24763274     13.85331882    -13.43650829
  O     13.15220898     10.50972395    -15.33785311
  H     17.60973423      6.25567251    -13.68241543
  H     16.40118714     13.63187331    -11.49185062
  O     15.46224824     10.76067260    -13.01820647
  H     13.48848845     12.20972864    -14.55095125
  H     16.76952241     14.03028683    -10.04504228
  O     16.05932153      8.71115033     -9.43143950
  H     13.21361154     12.83688372    -13.15451569
  H     14.91386115     10.84634984    -11.33295557
  O     20.60995222      8.99564049    -14.75689506
  H     17.83608812     10.02406948    -15.59870338
  H     15.25365892     11.86950103    -10.24771793
  O     16.13925821     14.10653384    -13.15568584
  H     17.85077661      8.69900347    -16.40235832
  H     18.49739804     12.02176793    -15.04918118
  O     16.55704725     13.28123492    -10.59531684
  H     18.15550863      9.54889184    -11.54842881
  H     18.68971891     11.27207544    -13.71315085
  O     14.70846288     11.09067192    -10.41471568
  H     18.94816409      8.21297753    -11.62743707
  H     10.53164244      9.69100980    -13.08985124
  O     18.88652139     11.22843475    -14.65924627
  H     14.66214051     11.29914593    -16.42265747
  H     11.93485077      9.53253655    -12.45956585
  O     11.42205884     10.03248040    -13.11968425
  H     16.09643931     10.79236650    -16.68501224
  H     15.86435431      8.80275593    -15.25455849
  O     15.09531209      8.58950439    -14.70539038
  H     19.26420103      6.66268270    -17.14768829
  H     15.39147898      7.94774446    -14.04603299
          69
 Ord_Energy   -248.173386    
 O    2.35689235      0.742517352       11.8296757    
 H    2.07413459     -0.163320333       11.6570473    
 H    3.30770898      0.756410956       11.6533737    
 O    6.00530767      0.443068564       5.74553490    
 H    5.22531319     -0.124508798       5.81615019    
 H    5.68001318       1.29971445       5.45053482    
 O    4.87940741       3.04055309       5.03555489    
 H    4.03232479       2.88053298       4.59099579    
 H    5.39600182       3.58864570       4.44853640    
 O    3.85920787      -3.01495457       9.57544327    
 H    4.70615292      -2.56831169       9.69159889    
 H    3.25129843      -2.63483000       10.2200794    
 O    1.63910449       5.67329302E-02   4.61845636    
 H    2.35968947     -0.241447553       5.19563818    
 H   0.894184232      0.303812891       5.18612480    
 O    6.52122974       2.62220144       9.61757660    
 H    5.87216616       2.96757936       8.98016071    
 H    7.04900789       3.36367154       9.90180683    
 O  -0.479848295      0.784316361       6.29530621    
 H   -1.03123486      -4.57656011E-03   6.34171581    
 H   -4.72145304E-02  0.856971562       7.16124725    
 O    6.32691240      -1.64830852       9.98568249    
 H    7.06708813      -2.15732455       10.3056498    
 H    6.67280293      -1.06283557       9.28698730    
 O    2.21604276      -3.02070808       7.39549875    
 H    1.46542442      -2.63688087       7.86792231    
 H    2.88447714      -3.18151712       8.07902241    
 O    1.65419316      -1.97822678       11.1714621    
 H    1.30792117      -2.58731985       11.8207312    
 H    1.04146039      -2.00430298       10.4189758    
 O    9.94647071E-02  -1.81061828       8.87690926    
 H   0.325408876     -0.866555691       8.86367226    
 H  -0.603776455      -1.92311549       8.22692394    
 O   0.751122892       3.35546756       6.08567429    
 H   0.159780324       2.59284830       6.09676552    
 H    1.32011247       3.22336364       5.32006264    
 O   0.905188441       2.74720407       10.7045774    
 H   0.377086699       3.18015790       11.3696594    
 H    1.44586134       2.08049536       11.1663818    
 O    4.61080503       3.35623455       7.82291317    
 H    4.70996094       3.33191204       6.86421633    
 H    3.74891067       3.75036573       8.03790855    
 O    2.10354853       4.12632608       8.41566277    
 H    1.68575358       3.73748708       9.19106579    
 H    1.55523515       3.90208507       7.64900303    
 O    7.22012711      0.179678902       8.22397518    
 H    7.11713123       1.04594707       8.63234711    
 H    6.86718130      0.255251080       7.32535410    
 O   0.789437830      0.827124655       8.71828365    
 H    1.75002444      0.824463010       8.59413528    
 H   0.614661992       1.49383187       9.39270687    
 O   -1.58861744      -1.84391248       6.59140491    
 H   -2.39393044      -2.27407885       6.31742001    
 H  -0.878979325      -2.18237495       6.01548624    
 O    4.98035908      0.629070699       10.8999586    
 H    5.54692936       1.35269332       10.6012058    
 H    5.46149492     -0.192340106       10.7325668    
 O    3.58239245     -0.839873433       6.33470869    
 H    3.20440269      -1.67182386       6.64606714    
 H    3.61863756     -0.255862236       7.10712910    
 O   0.569965184      -2.60907245       5.13065147    
 H   0.960178137      -1.82352471       4.73032713    
 H    1.21053636      -2.92638636       5.78236675    
 O    2.43520927       2.53414774       3.82756567    
 H    2.09109616       2.73788023       2.96131372    
 H    2.17062068       1.61837494       4.02340698    
 O    3.52452469      0.858648419       8.48254871    
 H    3.86016273       1.71649909       8.19148445    
 H    3.96123004      0.660840809       9.31907845    
          69
 Energy    -248.17311478530695     
  O     17.32259531      8.17943697    -11.37236582
  H     16.73888585      8.15827215    -10.59495517
  H     12.69632093     10.28365418     -8.44971618
  O     12.97561083      6.35919559     -7.21600782
  H     17.36213806      9.10732750    -11.63602010
  H     17.71823069      3.78955710     -9.13923003
  O     17.16246469     10.94175673    -11.67482377
  H     12.35467278      5.91227934     -6.64673752
  H     18.53705223      4.52125677     -8.05501056
  O     12.33522146      6.10455999     -9.81826721
  H     12.66921399      6.22416283     -8.13156357
  H     15.69361530      5.25744973     -8.65165142
  O     19.43048364      7.51350740     -9.58185318
  H     17.19680853     11.50713415    -12.44251221
  H     14.73133192      5.91186377     -7.58412106
  O     20.19917243      9.71929223     -8.16583407
  H     16.35997883     11.19385503    -11.18224613
  H     21.09371686      4.50192345    -10.65982173
  O     18.28690811      6.26084777     -7.24169515
  H     12.55596965      6.98852126    -10.14457784
  H     19.76751072      4.50732784     -9.85908955
  O     13.83390678      4.65711302    -11.77003773
  H     12.73770593      5.49113706    -10.44366632
  H     17.30516178     12.34971272     -8.31546012
  O     15.06584302     11.76508265    -10.15194305
  H     18.75480300      7.76864708    -10.22244396
  H     16.65517997     13.40267396     -7.38207935
  O     14.74826237      7.11483166    -12.57388185
  H     19.85125386      6.70851379     -9.91187683
  H     17.74976542      6.40634686    -11.85980185
  O     13.36352639      8.56436333    -10.66306383
  H     20.00437672      8.91939910     -8.68276740
  H     18.77434239      5.27967740    -11.60488122
  O     12.51983308     10.81371587     -9.24869003
  H     21.13868288      9.71821433     -7.99909673
  H     15.79756161      8.95065877     -8.51654214
  O     18.59754537      3.84763388     -8.74536001
  H     17.33203497      6.13751293     -7.36081553
  H     15.68220434      7.42031760     -8.75816151
  O     15.64264876      5.86369700     -7.89758988
  H     18.61324196      6.70389839     -8.03650260
  H     19.18409203     11.07688909     -8.94130758
  O     20.31415109      5.02020865    -10.48262239
  H     14.19186103      5.49013172    -12.12577299
  H     18.26379863     11.43361134    -10.14328457
  O     16.48662797     12.58458838     -7.84064174
  H     13.54177993      4.14453443    -12.51929201
  H     13.09631887      8.30886801     -7.09442913
  O     17.87500811      5.45032344    -11.90985565
  H     15.45261261     12.15190349     -9.35588887
  H     14.08399599      9.48981108     -6.92015265
  O     15.72018928      8.27700283     -9.20441470
  H     14.18044182     11.47674477     -9.90333658
  H     15.26864627      4.24229975    -10.62124848
  O     18.60001722     11.75707343     -9.29937513
  H     14.17725228      7.70598001    -12.06045426
  H     16.72978024      4.68795612    -10.76354719
  O     13.16113855      9.26977217     -7.11304933
  H     15.64289746      7.42866568    -12.42058152
  H     18.95059602      9.27460262     -6.73751643
  O     16.09844080      4.30517146    -10.13392025
  H     14.16870318      8.48295892    -10.12831797
  H     18.28413816      7.94838564     -6.33930015
  O     18.25277380      8.90170730     -6.18651136
  H     12.91892248      9.35727581    -10.34456969
  H     16.67142254      9.59870634     -6.61357971
  O     15.86519556      9.96645460     -7.00559531
  H     11.71214667     11.29335521     -9.08845467
  H     16.03874732     10.89447218     -7.20258948
          69
 Energy    -248.17309382092066     
  O     11.71508665      6.11544412    -14.89719875
  H     11.34405633      6.61265859    -14.15622877
  H     11.47704854      5.18895452     -8.93670178
  O     11.99842452      9.67413919    -11.40984213
  H     12.64543075      6.37599532    -14.94162368
  H     12.40093545      7.64218690     -8.77512088
  O     17.34544910      5.86576845    -11.15018162
  H     11.63296524     10.55379729    -11.46614710
  H     12.44861541      8.89585090     -9.69973094
  O     12.93779923      2.64702826    -10.00278163
  H     12.67879595      9.61413029    -12.10271043
  H     12.87358398      3.46342522    -13.06288737
  O     15.37649884      8.38252627     -8.37061209
  H     16.67133244      6.56389068    -11.11754930
  H     13.43560666      3.12393156    -11.64280657
  O     16.53342570      8.27114275    -15.78116363
  H     18.10266218      6.26229621    -11.59653140
  H     13.45147177      5.22980423    -11.71896163
  O     13.85709766      9.42662300    -13.42569623
  H     13.46392140      3.01863501     -9.28404280
  H     12.97090249      5.94850866    -10.42006187
  O     15.88621678      4.88720211    -13.37116371
  H     12.02875492      2.91935054     -9.82587194
  H     20.08684860      7.32589147    -12.93422051
  O     10.36073790      3.82291773     -9.48925749
  H     15.67828082      9.08779505     -7.80500800
  H     18.82101869      6.77111631    -13.62933069
  O     16.86400576      9.02175714    -13.15101197
  H     14.41010110      8.48108029     -8.45413249
  H     16.04164042      6.57931740     -8.40041094
  O     14.23384796      4.04479715     -7.85828476
  H     16.64752624      8.61153581    -14.87620499
  H     16.76930951      5.60127286     -9.35677891
  O     12.21574585      5.78317525     -8.74967293
  H     16.60805137      9.01690925    -16.37041753
  H     15.44556455      8.14799635    -10.19077895
  O     12.73510903      8.54687415     -8.84726213
  H     14.77704436      9.68588335    -13.33182149
  H     14.65857854      7.29352848    -11.23216682
  O     13.63589007      3.56902464    -12.48037302
  H     13.89268802      8.53904529    -13.80940472
  H     17.54056050      6.66141536    -15.42398646
  O     13.31607932      6.09479908    -11.31101872
  H     15.17919823      4.27755926    -13.11841997
  H     17.27416108      5.43695197    -14.52370394
  O     19.13719098      7.28337306    -12.86299837
  H     16.38123734      5.09250050    -12.56717060
  H     11.09427971      8.11690992    -12.09585775
  O     16.28882448      5.65399263     -8.52107456
  H      9.57245852      3.45113245     -9.10387748
  H     11.84162887      6.78369888    -12.07564607
  O     15.44562247      7.84353883    -11.10641836
  H     10.12382739      4.11260637    -10.38917154
  H     15.01641535      7.33046338    -15.22049974
  O     17.98039166      5.95471737    -14.93533463
  H     16.30590971      8.64526554    -12.45268882
  H     14.85157146      6.22459063    -14.15384384
  O     11.02512915      7.20351354    -12.39050657
  H     17.72901448      8.61254712    -13.02087109
  H     11.47442242      4.45124953    -14.50512472
  O     14.37015366      6.90505121    -14.64359532
  H     15.01480969      4.57259154     -8.10260049
  H     11.07309137      2.99518705    -14.84987888
  O     11.35505240      3.55744988    -14.13380940
  H     14.43107815      3.64069279     -7.01748478
  H     10.26780278      4.20859410    -12.70911548
  O      9.85248618      4.68525818    -11.98025986
  H     12.89700857      5.24315769     -8.32635535
  H     10.08248953      5.61592670    -12.10509646
          69
 Energy    -248.17304855545171     
  O     10.84655958     10.92297811    -13.89019302
  H     10.71115014     11.80398914    -13.51009940
  H     13.46965994     13.05443023    -12.23932620
  O     14.49716453      9.13753758    -11.37753090
  H     10.79003097     11.04670799    -14.84683231
  H     10.98611528     14.09436371    -14.43770687
  O     18.09886292     13.85592499    -13.38711268
  H     14.05994568      9.20179203    -12.23941346
  H     11.24729884     13.41015266    -15.78994755
  O     12.94540038     11.16877339    -10.10040036
  H     14.07738093      9.81232769    -10.83140115
  H     15.41462852     12.05757297    -12.89170715
  O     13.34637749      9.69658202    -13.82339644
  H     17.76665235     13.16393495    -12.78743222
  H     14.22340933     11.29490679    -13.54973252
  O     14.80398996     15.20048432    -10.50629023
  H     19.00420083     14.02414367    -13.13767860
  H     16.85830609     12.51320672    -16.16998675
  O     10.58362306      9.95165259    -11.28302767
  H     12.87908206     12.01193758    -10.57277372
  H     17.73216100     12.75823631    -14.92115240
  O     14.18916649     14.33105595    -14.99284642
  H     12.14825400     10.68715715    -10.34887322
  H     10.42297445     11.56501178    -17.34749179
  O     13.53202167     11.25351551    -17.29959750
  H     13.64956317      9.35905977    -14.67540871
  H     11.89224706     11.51063447    -16.86452144
  O     10.42235228     13.42405058    -12.75784251
  H     12.46704738     10.08116650    -13.93048359
  H     16.17932310      9.08702729    -11.76667933
  O     15.47122621     13.34244394    -17.17226977
  H     14.80714556     16.04037650    -10.05581488
  H     17.59471645      8.47583573    -11.61753491
  O     12.89221462     13.50652382    -11.60507254
  H     15.19991760     15.35129160    -11.38425486
  H     17.12011452     10.40196842    -15.12617359
  O     11.45564060     14.19887004    -15.27567389
  H     10.64908302     10.18480135    -12.22327973
  H     16.98657762      9.35933983    -13.97496722
  O     14.56786879     12.17121392    -13.33970658
  H     10.47027013      9.00424950    -11.24817757
  H     14.67926818      8.04119264    -16.64288732
  O     17.49139309     12.09297993    -15.57555700
  H     14.35232091     13.53499223    -14.46294931
  H     15.42412130      9.07596010    -15.76253080
  O     10.97278549     11.65108377    -16.57351332
  H     13.23034020     14.39891894    -15.10880687
  H     16.52508268     12.11558486    -11.00951019
  O     17.10447856      9.15925934    -12.06584026
  H     14.22081521     11.92807258    -17.31573976
  H     17.13698176     10.97855651    -11.89347935
  O     16.81903757      9.50568464    -14.91121883
  H     13.94733770     10.43603699    -16.99783791
  H      8.87216377     12.38175204     -9.76339799
  O     14.57247546      8.87594405    -16.19628753
  H      9.78924731     13.16629108    -12.07566195
  H      9.44659722     11.38349622    -10.77754057
  O     16.96779560     11.92772609    -11.85106829
  H     11.27368143     13.55240016    -12.31063680
  H     15.22046318     15.26519782    -13.72578159
  O      8.96880125     12.22190716    -10.69989374
  H     15.01969527     13.79433264    -16.43790637
  H     16.64318652     15.03360150    -13.17537170
  O     15.81324584     15.49362140    -12.99773511
  H     15.62825486     13.99946884    -17.84564727
  H     15.26318229     13.46375896     -9.79954655
  O     15.49729750     12.54185684     -9.62887295
  H     13.42368999     14.19558993    -11.18916110
  H     14.66931416     12.05076502     -9.57858571
          69
 Energy    -248.17279716141991     
  O     17.26360458     10.20845778    -17.54358625
  H     16.41113647     10.65896244    -17.47472058
  H     18.57073241      6.22840230    -12.48407691
  O     15.83395639      5.77295981    -13.81439651
  H     17.31278639      9.59321215    -16.79584871
  H     18.37218048      8.55667252    -14.99806383
  O     17.65534011     13.83831839    -12.11007512
  H     15.38775227      6.62535412    -13.83348517
  H     17.44764192      7.53396644    -15.73841716
  O     20.05653972      8.98020797    -14.27185245
  H     16.47349486      5.82904429    -13.09219197
  H     14.93121574     11.48455248    -16.10385307
  O     15.50966143      7.16414936    -18.05747496
  H     17.94791370     13.45140829    -12.94553297
  H     14.29160303     10.33995604    -16.91163955
  O     16.04154229     11.06130590    -10.18819438
  H     16.70326047     13.68358884    -12.07087815
  H     16.00824154      8.73218669    -12.45866881
  O     15.14772604      8.67870254    -14.11803269
  H     19.80015474      9.46564292    -13.47405029
  H     17.03622594      7.87921746    -11.66827574
  O     18.27332730     12.08644656    -14.27904585
  H     20.11820751      9.62019979    -14.99370004
  H     12.84785460      8.22815444    -16.75998053
  O     19.82817614      6.30532261    -13.66464165
  H     15.99818937      6.55296925    -17.48640320
  H     14.34265274      8.04035561    -17.10276815
  O     19.88111230      5.48731468    -16.39034584
  H     16.16710213      7.52020565    -18.66403748
  H     18.35466288     12.90885186    -10.79497037
  O     17.08926411      5.79412703    -16.26271389
  H     16.17647738     10.19251301    -10.58889458
  H     19.20308340     12.71064999     -9.51407278
  O     17.83165065      6.22209196    -11.84906164
  H     16.92127378     11.41098924     -9.99843377
  H     18.97771977     10.93139515    -11.42115226
  O     17.50245384      8.43618294    -15.39597041
  H     14.51104905      8.61342250    -14.84223044
  H     18.11707025      9.78865080    -12.02184298
  O     14.75970476     11.17886795    -17.00527108
  H     16.02599699      8.61033887    -14.53343431
  H     15.26684539     12.21129109    -11.25216339
  O     16.63412979      8.75661546    -11.72367337
  H     18.51728250     11.49464084    -13.55317936
  H     14.18068623     13.27779905    -11.53887417
  O     13.72406419      8.52162432    -16.52385130
  H     17.33501931     11.91955236    -14.44408820
  H     20.12055964      8.77809953    -17.35330034
  O     18.65736226     12.24928700    -10.14453244
  H     19.89637629      5.88192554    -14.52755052
  H     19.26097974      7.99191835    -18.36303038
  O     18.90697528     10.32730156    -12.17000509
  H     20.06393258      7.23142066    -13.82123277
  H     15.22145643     12.01182325    -13.51912810
  O     14.95524013     12.86139034    -11.90710269
  H     20.46597549      4.87771338    -16.83276625
  H     15.31752604     10.59516988    -14.15063253
  O     19.95664460      7.89735763    -17.69839436
  H     19.97018731      6.34130895    -16.84926906
  H     18.95104105     10.68753003    -16.94477254
  O     15.49859478     11.52924005    -14.30890395
  H     16.69155358      5.60036464    -15.40053103
  H     19.38807456     11.39544815    -15.67952001
  O     19.71394232     10.78651907    -16.35835392
  H     18.00373731      5.48931837    -16.27328798
  H     17.76816467      8.72351446    -20.34660833
  O     17.74667811      8.37683166    -19.45812014
  H     18.08462878      5.63873696    -11.13839355
  H     17.54185682      9.12554871    -18.86861279
          69
 Energy    -248.17275667704291     
  O      1.99264338      0.37350381      3.62943616
  H      2.91639967      0.37420295      3.86414002
  H     -1.67583854      1.96849578      5.48952947
  O     -2.90726434     -1.05776349     -3.45932085
  H      1.91224525     -0.11109355      2.78763492
  H     -0.66835167      3.33487069     -0.07086680
  O     -0.13115935     -0.98789810      4.96041111
  H     -2.17772866     -1.02768779     -2.82175048
  H      0.22770061      2.75224919      1.03720294
  O     -4.76571611     -0.73121896     -1.38521518
  H     -2.76971001     -1.85308946     -3.96993907
  H     -3.67288223      0.59344932     -0.78090024
  O     -3.39628815      3.66432573      2.56339315
  H     -0.69170248     -0.29021084      5.33017096
  H     -2.14312527      0.59384177     -0.90140405
  O     -3.90194948     -2.52568521      4.06708103
  H      0.64609004     -0.54826364      4.59993710
  H     -2.36834312      0.78608691      1.17929465
  O      0.08371370      2.22021731      2.74900260
  H     -4.41807158     -1.48674785     -0.88181785
  H     -1.26395324      1.06916663      2.25304726
  O     -0.97241522     -0.77295195     -1.40453919
  H     -4.32728027     -0.78069796     -2.24410746
  H     -2.85849670     -2.62268919      0.54561469
  O     -5.65501242      1.91844350      2.65904902
  H     -4.17225940      3.09034927      2.55528353
  H     -4.35984498     -2.88298377      0.81426655
  O     -3.82852406      0.24761778      4.03202416
  H     -3.12309768      3.77761382      1.64553467
  H      0.72672838     -1.36947507      1.25057139
  O     -2.54726071      3.77291456     -0.17417616
  H     -3.89922457     -1.56354292      4.17817533
  H      1.57274551     -0.33508562      0.47800478
  O     -1.80749603      1.05951287      5.78060255
  H     -2.97980704     -2.79697360      4.00514492
  H     -2.23336045      3.66828049      3.85289543
  O      0.18509147      2.91636669      0.08332146
  H      0.76779669      1.67784568      3.16082852
  H     -1.50327714      4.48976405      4.94192166
  O     -2.88574492      1.10701294     -0.55667430
  H     -0.35220828      2.74494045      3.43304590
  H      0.93525027      1.57032991     -0.67791773
  O     -1.96956773      0.46112526      1.99679842
  H     -0.13261815     -0.29448908     -1.38096674
  H      2.02283893      1.03025876     -1.63983088
  O     -3.70524892     -2.76836257      0.11227805
  H     -0.99852787     -1.34326790     -0.62675146
  H     -0.75199741     -3.93629747      4.15957737
  O      1.55835320     -0.88221920      1.27316979
  H     -5.82965632      1.19884743      2.02604242
  H     -0.75623236     -2.38882433      4.21797378
  O     -1.52274536      3.63559633      4.51936684
  H     -6.50703690      2.25269452      2.92789820
  H     -1.07175127     -2.55451160      2.00979749
  O      1.32869593      0.75794928     -1.04599434
  H     -4.55119254      0.80674384      3.72756294
  H     -1.42450265     -1.13284613      1.51721661
  O     -1.11649167     -3.16095426      3.74172746
  H     -3.15330576      0.29502950      3.33701737
  H     -6.35545109     -3.45465704      2.31762356
  O     -1.10901147     -2.00191888      1.21717338
  H     -2.94856477      4.29773398     -0.86252487
  H     -5.09445659     -2.73667080      2.85728141
  O     -5.71157448     -2.78490031      2.10479151
  H     -2.73562705      2.84184318     -0.38678044
  H     -5.82188540     -0.29545909      0.10793574
  O     -6.12119223     -0.17436399      1.01769079
  H     -2.61151475      0.76845510      5.32787406
  H     -6.05211677     -1.04285848      1.43425651
          69
 Energy    -248.17273461292126     
  O     -4.19762966      0.85293510      0.83383039
  H     -4.74684042      1.60269337      0.62180018
  H     -1.28971990     -4.95635750      0.98711735
  O     -0.90461767      0.20814716      3.60524148
  H     -4.01907703      0.89691185      1.79028176
  H      2.17581706     -0.25688359      3.50442235
  O     -3.59259010      0.87716812      3.45307134
  H     -0.11492651      0.72390001      3.40964575
  H      2.29632097     -1.70229627      3.01146014
  O      1.30206759     -2.48041374      5.89826773
  H     -0.91249789     -0.51763969      2.95967903
  H     -1.45171658     -2.56045343      1.84098145
  O     -4.65598158     -5.19022861      4.68342332
  H     -3.93908059      0.21920210      4.06629321
  H     -1.20727625     -1.27405203      0.97810661
  O     -1.38872795     -1.73352689      5.51009452
  H     -2.62951180      0.79694238      3.51194402
  H     -3.30038749     -3.71576593      2.23825004
  O      0.66543703     -5.09562265      4.87303057
  H      1.70889792     -1.98003704      5.16839272
  H     -2.15258657     -4.28380858      3.08173641
  O     -4.91273600     -3.03846325      2.95255003
  H      1.88172573     -2.38660655      6.64988200
  H      1.97500337     -2.36232021      0.62492724
  O     -1.80288877     -0.07285656     -0.32094813
  H     -3.71621758     -5.01552272      4.85350408
  H      0.80329751     -2.34116154      1.62630126
  O      1.70377098     -5.25909389      2.23198761
  H     -4.75291217     -6.13929650      4.70528993
  H      2.44743914     -1.87134972     -1.89403390
  O     -0.32094278     -3.26366098     -1.45073243
  H     -0.51400594     -2.02065586      5.80175721
  H      1.08459392     -2.29478407     -1.29477119
  O     -0.56576292     -5.27653028      0.43180792
  H     -1.21653385     -1.00082775      4.89961822
  H      1.30755218      1.08496665      1.72010159
  O      2.38802462     -1.14966144      3.79980937
  H      1.04668267     -5.20723563      3.99302996
  H      1.89108945      2.18247267      2.63785389
  O     -0.89809183     -1.77467411      1.74350505
  H      0.99555742     -4.25466724      5.21341237
  H     -0.04722583      0.53343913     -0.11627815
  O     -2.39473418     -4.04135109      2.17731784
  H     -4.66381543     -2.36812644      3.60083455
  H      1.32259028     -0.11214094     -0.36401376
  O      1.72731174     -2.61739617      1.52163050
  H     -5.00689825     -3.85430476      3.46609213
  H     -3.62653939     -2.23263755     -0.94585020
  O      1.88978983     -1.76844951     -1.12841312
  H     -2.13418684     -0.73618881     -0.94030967
  H     -3.48302873     -2.37033585     -2.47628101
  O      1.48985805      1.31786444      2.64847945
  H     -2.58119560      0.35172247      0.06314009
  H     -3.19092835     -1.49148992      5.37614047
  O      0.89397138      0.62783891      0.08258909
  H      2.52407604     -5.68034413      1.98632134
  H     -4.63075619     -1.55387175      5.92444210
  O     -2.98233736     -2.23346546     -1.67612343
  H      1.77836376     -4.32551010      1.97005818
  H     -1.85853502     -3.51984938      5.11505561
  O     -4.12213992     -1.35222903      5.14172195
  H     -1.23008796     -2.97668604     -1.58522025
  H     -1.08413808     -4.84335572      4.93259518
  O     -1.97122178     -4.45381817      4.89892714
  H     -0.36639134     -4.01902473     -0.84533299
  H     -4.66505077     -0.96692626      0.55004172
  O     -4.73883857     -1.91348862      0.37355360
  H      0.17460087     -5.42536058      1.03014261
  H     -4.94263733     -2.32955173      1.22010710
          69
 Ord_Energy   -248.172638    
 O  -0.910916209       2.64395690       2.16471577    
 H   -1.00025427       3.56820607       1.94975531    
 H    4.48968187E-02   2.44918251       2.19776821    
 O    3.02164936       1.86391234       4.84150124    
 H    3.43040061       2.43466783       5.48668146    
 H    2.26666069       1.43726230       5.28209591    
 O   0.334211648      -3.05759907       7.25011253    
 H   0.773283780      -3.77838898       7.69450998    
 H   0.918518186      -2.78337741       6.52229118    
 O   -2.32966495      -2.67519283       6.36077738    
 H   -1.44812202      -2.93364906       6.65645218    
 H   -2.63766527      -1.99410415       6.97442341    
 O  -0.430427432      -3.43339467      0.347770840    
 H   -1.39069688      -3.50384712      0.292765260    
 H  -0.184725046      -2.62824798     -0.125881016    
 O   -3.71644187      -5.00302601       2.68697357    
 H   -3.31740832      -5.77423000       3.08130217    
 H   -4.04104805      -4.46035147       3.42490435    
 O    3.76810145     -0.741797924       3.83716702    
 H    3.71356130      0.168601945       4.15112829    
 H    3.34401751     -0.745799303       2.96863604    
 O   -1.74335778      -1.44352245       3.90868211    
 H   -1.99299741      -1.87984633       4.73268843    
 H   -1.62051094     -0.503977001       4.10179996    
 O   0.421984702      -2.73288202       2.85214686    
 H   0.179183304      -3.12812471       2.00317955    
 H  -0.369953960      -2.28973484       3.19076347    
 O    1.65803421       1.94599867       2.35690331    
 H    2.18421149       2.04756999       3.15822411    
 H    1.77127802       1.02811074       2.07268572    
 O   -1.43356276       1.23041177       4.51621342    
 H  -0.585428715       1.08426166       4.95771980    
 H   -1.27869642       1.77216101       3.73248529    
 O   -3.09034538     -0.540474415       8.01514339    
 H   -3.41527081      -2.35521495E-02   7.25536203    
 H   -3.73444390     -0.444572449       8.71105766    
 O   -4.52643728      -3.40345883       4.75270033    
 H   -3.81701493      -3.25385880       5.39153051    
 H   -4.86363745      -2.53230619       4.51421404    
 O   0.345017374     -0.886508703     -0.719966888    
 H   0.455829769     -0.593405068      -1.62020433    
 H  -0.383293748     -0.361462384     -0.340991437    
 O   -1.66681540      0.518695831      0.424061418    
 H   -2.36208868       1.18417302E-02  0.861365139    
 H   -1.46966410       1.27118683      0.994271278    
 O    1.95069504     -0.732236087       1.60833037    
 H    1.45039356      -1.40167058       2.09566879    
 H    1.58157134     -0.748881519      0.717056751    
 O   -3.46923709      -1.18541145       1.80100453    
 H   -2.83518195      -1.34580135       2.51888728    
 H   -3.47512627      -1.97938466       1.25129032    
 O   -3.30024076      -3.60708642      0.412935495    
 H   -3.82195973      -3.99353552     -0.285398185    
 H   -3.44704247      -4.15205669       1.20746267    
 O  -0.244266823     -0.384256840       8.16984463    
 H   -1.20818043     -0.344035268       8.20640659    
 H   -2.51815505E-02  -1.31398642       8.02793598    
 O   -3.87217855      0.734804690       5.78394508    
 H   -4.39217520      0.264060080       5.12196875    
 H   -3.06445122       1.03240347       5.34208059    
 O   0.893450439      0.444272816       5.83184862    
 H   0.521782279      0.297783107       6.71458435    
 H    1.16568565     -0.423053503       5.50387096    
 O   -5.30442476     -0.773633659       3.80903769    
 H   -4.73659801     -0.861752450       3.02535844    
 H   -6.17756224     -0.556659222       3.49080849    
 O    1.79862463      -2.15536165       5.12829399    
 H    1.33250237      -2.49797440       4.35059929    
 H    2.62166691      -1.76670980       4.79912949    
          69
 Energy    -248.17259123341609     
  O     12.82864145      9.47552174    -11.08298227
  H     13.29591541      8.69966349    -11.41492390
  H     12.97229227     13.83303731     -7.54690677
  O     11.49778460      7.44970410    -13.85370058
  H     13.09007283      9.62348048    -10.16688696
  H     10.02801726     12.27789520    -11.62802293
  O     13.00653547     11.66909493    -12.69787432
  H     11.92336255      8.25862414    -14.19427384
  H     11.56573476     12.38490630    -11.84651420
  O     13.30946754     10.07604416     -8.41469441
  H     11.17775966      6.96964124    -14.61266127
  H      9.95983961      6.23189368     -7.78864096
  O     15.18385646      7.28530164     -9.79537219
  H     12.95664576     10.87187431    -12.14570486
  H     10.22613349      7.68286834     -8.22726730
  O     14.49244933     15.26729171    -10.56765716
  H     13.79936183     12.13286259    -12.40007268
  H      9.68781258      8.96949419     -9.97378037
  O     10.23030572      8.89165358    -11.76981475
  H     13.22182329      9.19998729     -8.02093782
  H      9.95792627      9.97978491     -8.83420997
  O     15.28634974     12.72658343    -11.47761291
  H     12.45332974     10.52725361     -8.40902305
  H     12.34712760      7.14707072     -7.72329932
  O     14.65496584     13.91860229     -8.03053453
  H     14.74827637      7.06166411    -10.62797566
  H     13.56777554      7.05353735     -6.78140832
  O     11.85133067     14.94816168    -10.04848568
  H     14.51562952      7.23386285     -9.10200608
  H     16.22391126     10.75605590     -9.20568140
  O     16.57563513     10.39288068    -12.43414139
  H     13.52745526     15.19928060    -10.45054677
  H     14.77330164     10.99005402     -8.73565631
  O     12.01109939     13.83044469     -7.38893007
  H     14.67556035     16.16870433    -10.81758444
  H     13.80701387      9.34845973    -14.61022038
  O     10.84068391     12.65740713    -11.26743440
  H     10.43006749      8.29447297    -12.49890967
  H     12.84949324     10.45754056    -14.14447188
  O     10.64455160      6.89223639     -7.84470744
  H     11.09956143      9.17553240    -11.44667974
  H      9.17910855     10.34443299    -12.10910040
  O      9.59759632      9.10367081     -9.02130043
  H     15.35641399     12.28695306    -10.61740835
  H      7.83728856     11.01982166    -11.78952019
  O     13.28732705      7.38159297     -7.63236627
  H     15.09571602     13.65290694    -11.28599462
  H     16.16193531      8.37094448    -14.77250039
  O     15.58683321     11.44891177     -8.99719361
  H     15.09636151     13.08572839     -8.24342351
  H     15.89906355      9.28627124    -13.55397105
  O     12.88805784      9.64127368    -14.65996892
  H     14.72091196     14.46114075     -8.82607585
  H     16.41715765      8.51746888     -9.83576962
  O      8.69581032     11.18326102    -12.17388976
  H     11.78335582     14.69209023     -9.12135175
  H     17.91076161      8.84531437     -9.60455797
  O     15.49715173      8.61410131    -14.13411179
  H     11.41687054     14.24174120    -10.54720177
  H     13.06891291      7.07416890    -12.77462690
  O     17.08254390      9.22679270     -9.88343848
  H     16.21343516     11.26568476    -12.23703251
  H     14.51707496      7.58961249    -12.94434377
  O     13.90700791      7.18722836    -12.30931501
  H     16.81881130     10.00083213    -11.58620081
  H     11.24146501     12.31335043     -8.14047709
  O     10.99287638     11.56261259     -8.69514725
  H     11.86997655     14.26803331     -6.55374463
  H     10.93949124     11.90341196     -9.60006787
          69
 Energy    -248.17226800040464     
  O     -1.17071685     11.28740688     -0.39230808
  H     -1.97304816     11.34343651     -0.92395335
  H     -2.03214501     11.44165390     -3.59313121
  O     -1.86508162     15.53385492     -0.01757635
  H     -0.57571982     11.99317868     -0.69703582
  H      0.75387564      6.87873875      1.52845686
  O      1.94649892     13.94841176     -3.48615531
  H     -0.96103652     15.86585630     -0.08421555
  H      0.77922922      8.36158972      1.97112479
  O     -0.63642053     14.12451072     -4.50934748
  H     -1.93590874     15.15787230      0.86715739
  H      0.56018365      9.31594005     -2.79148490
  O      2.08015966     12.79544602      2.48566179
  H      2.24925303     13.04456599     -3.67183680
  H      0.57690984      8.56232776     -4.14113980
  O      0.53169914      9.55661780      3.20653748
  H      1.11652356     14.09763680     -3.95694151
  H      2.84893633      8.40726236      1.29016510
  O      3.23118535     10.48334428      3.55704592
  H     -0.98032963     14.46718392     -5.33061028
  H      3.71935094      9.38977360      0.48511976
  O      0.67481458      9.33860358     -1.01539908
  H     -0.87438976     13.17935684     -4.48028678
  H      2.94659296     12.97705740      0.91095783
  O      0.71193096     13.08607731     -1.11287130
  H      1.16870535     12.49304854      2.35932411
  H      3.43282904     13.75797335     -0.37338572
  O      3.38091197     15.29058429     -1.56376509
  H      2.54654891     12.08128574      2.93818288
  H      2.40964214     10.07655596     -1.06015512
  O     -0.58605571     11.94086896      2.22689119
  H      1.40213205      9.86060128      3.49160885
  H      3.38660134     11.24101500     -0.70059239
  O     -1.33271395     11.52454055     -4.25308100
  H      0.03600008     10.35069304      2.96507303
  H      3.09345193     10.99606039     -2.90147437
  O      1.02853217      7.74948480      1.25473706
  H      3.88721018     10.29082737      4.22125442
  H      1.96300200     10.70356062     -3.89226329
  O      0.51230047      9.43244772     -3.75515687
  H      3.46199906      9.95555429      2.77141617
  H      1.79053793     15.85803806     -0.58979597
  O      3.63860090      8.95904350      1.34586829
  H     -0.00783413      9.97889447     -0.76684929
  H      0.68386192     14.82233537     -0.40365460
  O      3.25505896     12.88568529     -0.00245697
  H      0.75729146      8.71029222     -0.28741084
  H     -0.77434347     14.87327779      2.75646413
  O      3.33424592     10.35980311     -1.10161371
  H      0.96614568     13.32132130     -2.01349907
  H     -2.18023680     14.87214305      3.40299272
  O      2.67497180     11.32661339     -3.70675017
  H      1.54227433     12.88655818     -0.65914258
  H     -2.38778962     14.74542612     -1.54470365
  O      0.94502201     15.72046740     -0.14968964
  H      4.11205583     15.77679537     -1.93550141
  H     -1.92298758     14.40981185     -2.99345887
  O     -1.67114949     14.49771277      2.68876719
  H      2.91845409     14.86804920     -2.30922043
  H      0.99091087     15.61763826      1.71286634
  O     -2.62284145     14.26119487     -2.35016198
  H     -0.86975026     11.67383036      1.34101823
  H      1.44818781     14.55912637      2.73377614
  O      0.90513519     15.35266901      2.63928844
  H     -1.06322063     12.75198878      2.44137273
  H     -4.22601166     11.54974559     -2.19340759
  O     -3.28199272     11.67554899     -2.17075432
  H     -0.73511840     10.77895042     -4.12173274
  H     -3.12256198     12.63826685     -2.21593751
          69
 Energy    -248.17225739424808     
  O     12.08207591     11.05285388    -15.63895494
  H     12.98214527     11.34056995    -15.84333229
  H     16.18747181      9.08881528    -17.44367982
  O     14.70206553      6.94539461    -12.50073950
  H     12.02732804     10.12842161    -15.91961885
  H     13.79386088      8.55586031    -15.13612899
  O     16.98898411     10.20367251    -12.64031035
  H     15.65917834      6.99733083    -12.38490610
  H     14.59059496      8.18354251    -13.86154356
  O     17.10334159      8.67727605    -15.83855899
  H     14.28866134      7.31985917    -11.71277669
  H     12.00264956     11.12274557    -13.90368318
  O     10.95406780      6.68319681    -14.29869450
  H     17.28875882     10.69077364    -13.41704632
  H     11.42051838     11.82420300    -12.65689073
  O     15.72760903     11.00393303     -9.08041385
  H     17.49460497     10.50739134    -11.87374741
  H     17.68932922      7.65557743    -10.65440100
  O     13.53126842      8.29458194    -10.38349457
  H     16.22177526      8.65133152    -15.43168536
  H     18.03853667      8.92156716     -9.85369702
  O     15.36024441      5.57828853    -16.13424150
  H     17.50084687      7.81682539    -15.66512730
  H     11.99266664      8.24974237    -11.50751260
  O     15.42330494      8.24617610     -8.30155238
  H     10.06998189      6.33575505    -14.21853562
  H     11.53370131      9.33049404    -12.50145304
  O     17.74140644      6.11193693    -15.00780298
  H     11.09242232      7.27351536    -13.53580045
  H     17.58663990     10.33924495    -15.46400625
  O     13.41508187      5.19990335    -14.23230631
  H     15.17680932     11.03485545     -9.87571027
  H     18.42119048     11.63498181    -15.60958178
  O     15.45931870      9.42106898    -17.98636417
  H     15.54676327     10.15006674     -8.66819116
  H     17.30994337      8.36303980    -12.67952236
  O     14.58643353      8.77134805    -14.62662431
  H     14.05844390      8.17339429     -9.58507304
  H     17.62334527      6.96912638    -13.32307196
  O     12.00685131     11.12322017    -12.93122418
  H     13.81703271      9.13882481    -10.76619320
  H     17.34569335     10.98394481     -9.73026666
  O     17.71217687      8.01867522     -9.75904457
  H     14.92730562      6.05752096    -16.84731606
  H     18.82477438     11.43676831     -9.80210705
  O     11.40378232      8.40628072    -12.25588374
  H     14.66220494      5.35619713    -15.49862826
  H     13.78950093      6.88021771    -19.01268426
  O     17.67199426     11.25921305    -15.15494362
  H     15.51337647      7.79605121     -7.46606532
  H     14.46329282      7.97954640    -18.15830578
  O     17.43194771      7.42029096    -12.49210185
  H     16.24492682      8.08233478     -8.79846625
  H     15.19535791     10.49418080    -12.08023815
  O     18.19334823     10.83691424    -10.18886236
  H     18.33977352      5.39507746    -15.19784266
  H     13.67386607     10.89090754    -12.11165995
  O     13.93890828      7.16063139    -18.11344840
  H     16.88102517      5.86990773    -15.40086399
  H     14.72287250     10.46503531    -15.30802275
  O     14.41360973     10.65880643    -11.53706240
  H     12.52646172      5.56832963    -14.28019566
  H     15.76052733     11.54884433    -15.63998777
  O     14.86126676     11.26821052    -15.83616817
  H     13.86533306      5.71167492    -13.54403631
  H     11.77060505      7.67856422    -15.60984533
  O     12.28403448      8.29625128    -16.14744130
  H     15.11887256     10.17235979    -17.48641672
  H     12.71079962      7.80435670    -16.86013855
          69
 Energy    -248.17213842975275     
  O     10.10619135     12.27757585    -11.28720283
  H     10.82299815     12.48330062    -10.66151904
  H     12.79993087     13.46554009     -9.87971529
  O     14.15832681     10.32291948    -12.39850483
  H      9.28868377     12.49975097    -10.84911486
  H     11.18654603     10.99076189    -18.46481348
  O     15.89668755     12.45414954    -14.49854663
  H     15.10696998     10.42661035    -12.25777844
  H     12.55267969     11.08900338    -17.74782708
  O     14.68695932      7.10313609    -11.45575502
  H     13.77557098      9.86404044    -11.64083351
  H     14.37400962     15.31395225    -10.92155797
  O     11.05735907     12.80687374    -13.88905425
  H     15.75736628     12.94333848    -15.31906001
  H     14.02579344     13.94873322    -11.56483747
  O     14.86761741     13.77390568    -16.78588856
  H     15.11698417     12.66233703    -13.96299361
  H     17.03935713      7.76567657    -13.78448848
  O     15.64995153      9.89285781    -15.74450198
  H     15.56947719      7.48390862    -11.53858723
  H     16.52664179      8.33475192    -15.12798238
  O     13.80687656     10.70646986     -8.63846390
  H     14.51333804      6.67299049    -12.30199326
  H     15.41885328     13.02397457    -10.15921579
  O     13.63740043     12.93186203    -12.93467188
  H     11.05479848     11.91005530    -14.25891248
  H     15.24957632     11.64914960     -9.49131913
  O     13.38961920      8.80296301    -14.54310324
  H     10.63416088     12.74467035    -13.02397452
  H     11.12095957     10.50803714    -15.90595374
  O     17.29157877      8.29931590    -11.97464962
  H     13.91652955     13.80864187    -16.57742369
  H     11.90143879      9.69420574    -14.86527183
  O     12.14718611     12.81832973     -9.58624892
  H     15.06959094     14.57051685    -17.26965473
  H     14.32642476      5.37792226    -14.59337679
  O     11.59063555     11.17410853    -17.62084619
  H     14.82259002      9.52426074    -15.39962404
  H     15.27786282      6.58542409    -14.39527697
  O     14.22625865     14.39361488    -10.72196917
  H     15.78598730     10.73594278    -15.29342805
  H     14.57105173     12.07535472    -17.64865103
  O     16.73297696      7.51187888    -14.66410883
  H     13.85036637     10.35716813     -7.75182923
  H     14.82179107     10.60829547    -17.28318484
  O     15.87042473     12.18605112     -9.99907009
  H     13.45110158      9.99639898     -9.20059811
  H     10.77264991      9.66605293    -13.04530113
  O     11.11394241     10.24868171    -14.97602278
  H     12.75608195     13.00067046    -13.32194447
  H     10.50286192     10.47462309    -11.77108727
  O     14.40940852      6.21676918    -14.14905968
  H     13.73895455     12.00595022    -12.66387422
  H     16.76423032     11.56551654    -12.99243936
  O     14.30180267     11.17478905    -17.86756611
  H     13.65499102      9.27979082    -13.74071143
  H     16.63979240     11.48176854    -11.42481493
  O     10.79929655      9.61039338    -12.08459266
  H     13.60033685      7.87060149    -14.41547618
  H     11.88694089     12.90300958    -16.85731790
  O     16.87694880     10.98841243    -12.22774122
  H     17.24552990      9.26645198    -12.05750121
  H     11.72629530     13.57205060    -15.48818904
  O     12.17618870     13.66384269    -16.33718861
  H     18.08558122      8.10680953    -11.48126291
  H     12.09564706      8.98124675    -10.96788912
  O     12.87926783      8.87335167    -10.40773052
  H     12.65241483     12.10234310     -9.18233568
  H     13.41603113      8.13102221    -10.72659268
          69
 Energy    -248.17193200729901     
  O     13.31112007     13.31182962    -14.40039572
  H     14.00158434     13.76891938    -14.89508844
  H     17.84316274     11.39495058    -15.21882526
  O     17.89314549      8.00564437    -13.84136959
  H     12.96373793     12.63763242    -14.99624414
  H     16.09025949      9.09896531    -18.12789144
  O     19.16465732     10.26886886    -12.73190799
  H     17.77041604      8.05280800    -14.79465395
  H     15.96105692      9.21807661    -19.66311771
  O     17.30533070     14.17652229    -13.87591279
  H     17.25138064      7.34896962    -13.54574498
  H     15.83990804     10.05443228    -12.24287616
  O     15.79381056      6.09994221    -13.31901149
  H     18.78145343     10.50535264    -11.88052373
  H     15.84873270     11.54616388    -12.61522061
  O     15.86870833      9.43426598    -10.46303499
  H     18.73657613      9.45479195    -13.03424130
  H     12.74710944     10.36277334    -16.75279640
  O     14.44734314      7.21768678    -11.28520084
  H     16.72718459     14.26085871    -14.64302668
  H     13.72303727     11.53556808    -16.63468550
  O     13.46764812     13.30763897    -11.68930003
  H     18.04193871     13.61006802    -14.13888660
  H     12.45034843      9.12556425    -12.58556830
  O     13.11333947      8.75029185    -17.55331454
  H     15.95876677      5.17865449    -13.13805065
  H     11.18224907      8.57151235    -11.89446282
  O     16.78038595      8.48652197    -16.58110755
  H     15.29475514      6.45075685    -12.55900247
  H     15.33062553     13.28210275    -11.54256123
  O     14.46553515      7.52484554    -15.34027831
  H     15.07431022      9.96087409    -10.27006492
  H     16.62947361     13.56260061    -12.37972763
  O     17.00173415     10.95804730    -15.39574318
  H     16.63429799      9.97337001    -10.23628703
  H     19.32709283     11.54709181    -13.85454266
  O     15.59815828      9.53972084    -18.84179843
  H     15.02113843      7.89334287    -10.89458081
  H     20.20139947     12.33921762    -14.85769765
  O     15.71418297     10.66331160    -12.98179938
  H     13.57907901      7.62660101    -11.36959256
  H     17.38189537     12.00775951    -10.72017216
  O     12.89396727     11.19281718    -16.27472693
  H     13.37014264     13.28393140    -12.65746288
  H     18.44083791     11.74685612     -9.62405406
  O     12.09098727      8.81353446    -11.73677587
  H     12.88831212     13.99745545    -11.37505336
  H     15.97942194     11.63053923    -16.63307871
  O     16.26691198     13.06591943    -11.62878111
  H     13.47441494      8.15763869    -16.88110325
  H     15.43611715     11.27532628    -18.03300520
  O     19.30873802     12.24348808    -14.53845392
  H     13.85656114      8.96548751    -18.12957837
  H     12.89717971     10.18297691    -10.66995028
  O     17.94901954     11.32416038    -10.32342821
  H     16.92508848      9.35290008    -16.17023150
  H     13.42761826     11.63446329    -10.74535330
  O     15.40451092     11.95254354    -17.34780878
  H     15.98687184      8.11425699    -16.16750496
  H     15.32052568     15.13276385    -16.61535425
  O     13.50545095     10.80775458    -10.25477913
  H     14.86352390      6.91659573    -14.70447511
  H     15.42520309     13.59177811    -16.62796468
  O     15.41667327     14.37106092    -16.04813281
  H     14.06880277      8.23825152    -14.82075224
  H     13.11185260     10.23943422    -14.74904051
  O     13.35258604      9.71104104    -13.97782273
  H     16.58506535     10.78352749    -14.53922580
  H     14.15677315     10.10341097    -13.60636161
          69
 Energy    -248.17192208828155     
  O     13.69510795      8.64636771     -9.78848342
  H     12.95769457      8.57736098     -9.18811457
  H     13.53628625      8.29203535    -16.17559906
  O     13.68816987      5.87380340    -14.00806578
  H     14.03725112      7.74232998     -9.92053769
  H     17.23162524      6.50827958    -16.03770141
  O     17.13491961     11.58360855    -10.79619999
  H     14.40207504      6.50639635    -13.82732333
  H     18.12971751      5.41159857    -16.64816825
  O     18.56349647      9.80122204    -12.58537280
  H     13.84901018      5.15857508    -13.38346913
  H     17.09337831      9.88671935    -15.28793822
  O     12.23913645     11.03846915    -15.71909632
  H     17.48488900     12.44247785    -10.57121960
  H     16.79035469     11.37820996    -15.54528718
  O     14.84322415      6.22919090    -10.11510570
  H     16.50233629     11.72107095    -11.52100602
  H     16.40791482      7.50805153    -12.77561939
  O     12.55988239      8.41676814    -14.60462067
  H     18.26314040     10.16731383    -13.42693707
  H     15.09988201      8.36955330    -12.92299651
  O     15.46046592     11.71918452    -12.95749906
  H     18.21590623     10.39130214    -11.90727698
  H     14.89546996      3.24240973    -11.90843491
  O     15.61312606     12.31182045    -16.55887525
  H     12.15941739     10.15034544    -15.35090697
  H     15.77573116      4.34454036    -12.54027442
  O     14.54206175      5.46672887    -16.67403222
  H     12.66004625     10.93632447    -16.58244250
  H     17.94016088      7.08541032    -11.06643055
  O     16.61529597      8.20081098    -15.82390356
  H     14.83680455      5.52722294    -10.77618166
  H     18.33463904      8.05590055    -12.22564630
  O     14.05647920      8.14536114    -16.97835898
  H     15.75563488      6.32461006     -9.81486576
  H     17.33069008      4.94700665    -14.25891792
  O     17.37625157      5.54863693    -16.07864310
  H     12.92755718      8.86768228    -13.82923158
  H     17.68905237      5.53277764    -12.87716036
  O     17.19804046     10.77038070    -14.91040924
  H     12.65802962      7.47387626    -14.42037454
  H     17.98687069      6.79184219     -8.51285511
  O     15.65495653      7.70441577    -13.34718902
  H     14.83286136     12.28117121    -13.43003527
  H     17.13127460      7.90791972     -9.16323315
  O     14.92408651      4.17652677    -12.09733690
  H     16.06317627     11.34655295    -13.61936003
  H     13.60605060     10.61155249    -18.98851893
  O     18.02490306      7.15946888    -12.02502133
  H     15.08206592     11.76671309    -17.15301929
  H     13.94691743      9.69858116    -17.78875697
  O     17.28496530      4.76917355    -13.31221531
  H     14.98279296     12.72176832    -15.95504703
  H     15.40930050      9.31159563     -9.28230129
  O     17.46813836      7.00121074     -9.28446210
  H     15.48804638      5.31803356    -16.56186688
  H     16.61896354     10.21041278     -9.64515373
  O     13.83087976     10.62520408    -18.06169943
  H     14.17283731      5.46263001    -15.77940683
  H     13.07493117     12.34517834    -14.92383638
  O     16.34880620      9.45266844     -9.11196036
  H     15.80804889      8.25984124    -16.35108643
  H     13.09126485     13.84195610    -14.53396348
  O     13.63420825     13.05918943    -14.56801309
  H     16.31579995      8.03287107    -14.91420546
  H     14.34195166     10.35779719    -12.49762555
  O     13.81738685      9.55148389    -12.40878751
  H     14.17307779      7.18697783    -17.05721960
  H     13.71604914      9.33812065    -11.47229922
          69
 Energy    -248.17182004607810     
  O     13.18121056      1.61932596     -8.67247698
  H     12.52208373      1.81215596     -9.35731585
  H     11.12419570      3.51227122    -13.33752032
  O     11.48721263      2.35384961    -10.76556714
  H     12.72684191      1.12555431     -7.99325844
  H     11.57573091      8.38477886    -14.24944765
  O     13.39162706      3.02281131    -16.00213024
  H     11.53185979      3.28942220    -10.51403242
  H     10.86353654      9.71465668    -14.60016654
  O     17.14880561      2.94198238     -9.91912421
  H     10.94140590      2.33403815    -11.56228918
  H     12.30330886      5.69818969    -13.54225701
  O     11.66225975      5.07539069    -10.42603400
  H     12.93896808      2.21309505    -15.73982237
  H     13.15560391      4.43273709    -13.24095518
  O     13.53666000      1.19376084    -12.36165498
  H     13.99387417      3.22285232    -15.27131857
  H     14.81010956      4.52122359     -8.63486492
  O     14.64920069      3.45617569    -13.56307267
  H     16.49877417      3.21792060     -9.24657584
  H     14.42222811      3.05898151     -8.30315602
  O     15.04526134      7.14792521    -13.18444012
  H     17.99320438      2.88511944     -9.47974416
  H     12.70097684      0.80809846    -13.89416185
  O      9.59005054      4.90461531    -15.07837097
  H     10.89827061      5.65930754    -10.34355273
  H     12.00316439     -0.11464473    -14.91976180
  O      9.13812986      6.90722502    -13.19392844
  H     11.90220821      5.06335297    -11.36799511
  H     14.26098462      6.80900252     -9.97296948
  O     12.72290578      7.15498221    -14.65160268
  H     14.24081854      0.91209718    -11.75926457
  H     13.29237897      5.60176910     -9.89765072
  O     10.51759609      2.75631427    -13.39716611
  H     12.85127580      1.60079124    -11.81575723
  H     16.04249499      1.41289353    -10.29561932
  O     10.90025992      9.01950823    -13.94921391
  H     15.22217060      3.92498215    -12.94176487
  H     14.70088090      0.95008719     -9.69442561
  O     12.31520144      4.87033917    -13.04930973
  H     14.37056279      2.63573444    -13.13369510
  H     16.55467610      4.24284356    -11.16778755
  O     15.14508966      3.69569945     -8.25683821
  H     15.54528235      6.40524050    -12.82870022
  H     15.36862938      5.21400055    -11.00982725
  O     12.14826869      0.80076006    -14.69454509
  H     14.80287685      7.68017875    -12.41519826
  H      8.74064058      7.03608624    -10.08491195
  O     14.20684452      5.87517387     -9.73536681
  H      9.71108295      4.07703343    -14.59743943
  H      9.34618502      6.83701873    -11.49619642
  O     15.34555294      0.75142567    -10.38549955
  H     10.37522102      5.01351062    -15.62718487
  H     13.26456184      8.62372481    -10.91462645
  O     16.01188564      4.87775745    -11.65075499
  H      9.22338521      6.20993626    -13.85876769
  H     14.57473136      9.29416715    -10.43697219
  O      9.56109720      6.88500794    -10.54536102
  H      9.61059803      7.67376217    -13.53889918
  H     12.00178593      5.36520667    -17.57223918
  O     14.21875964      8.47935179    -10.78116849
  H     12.64848155      6.56156817    -15.40993806
  H     12.53821277      4.45864929    -16.44202540
  O     12.05693409      5.28533568    -16.62349494
  H     13.61921447      7.12952908    -14.28200957
  H     10.90033309      8.22028972    -10.87089304
  O     11.57816632      8.81500419    -11.21188652
  H     10.95816299      2.08452459    -13.93218823
  H     11.33269520      8.99840084    -12.12793274
          69
 Energy    -248.17177091029731     
  O     15.47245963     11.83782216    -13.23997263
  H     16.16782950     11.76392686    -12.57581510
  H     18.05043787      3.38862110    -13.97005923
  O     14.37948130      6.67734899    -14.43612748
  H     15.78992826     11.37100658    -14.02457190
  H     19.20938161     10.20607649    -14.12449688
  O     16.14854167      6.28871038    -10.39971110
  H     13.60216522      6.92290557    -13.90987623
  H     19.37364082      9.48198463    -12.78620358
  O     19.03906763      7.77735943    -12.36596263
  H     14.35392135      7.21896661    -15.23298272
  H     15.75998539      7.60749466    -13.64671221
  O     14.15745259      8.72128502    -16.41873822
  H     16.14451170      7.25406730    -10.38507598
  H     16.43185620      8.96912507    -13.91807192
  O     12.17973736      7.17378195     -9.32238839
  H     15.52316453      5.98968120     -9.72709638
  H     12.47899125     12.34697358    -12.48784600
  O     12.25182164      7.50072826    -12.91113847
  H     19.08156021      6.98255870    -11.81821159
  H     13.81952645     11.65713494    -12.84147122
  O     15.95955053      9.08869002    -10.76342212
  H     18.12018554      7.86287911    -12.66254244
  H     13.59763468      4.33598800    -10.18560043
  O     18.86728346      9.24817099    -15.92080691
  H     13.81279565      8.68237805    -17.30686898
  H     13.98762731      4.14048654    -11.66550282
  O     11.02648598      5.52044870    -11.38183623
  H     13.45815250      9.11102248    -15.86158688
  H     12.43645218     10.36616606    -14.09241324
  O     19.13471996      6.70928920    -14.93404967
  H     11.63736051      6.68360103     -9.95252868
  H     12.07635245      8.87588573    -14.16014902
  O     17.94971125      4.31045071    -13.74311511
  H     12.46450898      7.97793515     -9.77674322
  H     17.87239256      5.57920740    -10.74572224
  O     19.28110728     10.36486663    -13.17918423
  H     12.60600942      8.07390556    -12.21546522
  H     18.56386969      4.89386449    -11.94681462
  O     16.40315605      8.23291622    -13.29370153
  H     11.73212095      6.81464992    -12.47602194
  H     15.68245615      5.39637241    -11.94025842
  O     12.88272221     11.49436712    -12.62505470
  H     16.51130397      9.87672656    -10.71333951
  H     15.03670195      5.38769515    -13.36740997
  O     13.26332427      4.02730744    -11.03734946
  H     16.04199050      8.79110151    -11.68499549
  H     14.11150651      5.18568611     -7.75106157
  O     12.27562332      9.64450774    -14.71223855
  H     19.52125034      9.37631859    -16.60314069
  H     13.43819880      6.07523176     -8.82613413
  O     18.73682518      5.35009028    -11.11438004
  H     18.93126149      8.31488921    -15.65218389
  H     14.14932360      9.21871650    -10.80301082
  O     15.44519837      4.82953286    -12.69013971
  H     10.24368482      4.97770635    -11.41045807
  H     13.01103062     10.06344116    -11.43198712
  O     14.13288034      5.40858562     -8.67755949
  H     11.78727407      4.91722998    -11.29895725
  H     18.19583336     11.07329115    -12.00193288
  O     13.19410313      9.24383109    -10.95541805
  H     19.32179859      7.06338682    -14.05235694
  H     18.00747163     12.04637453    -10.81889751
  O     17.55285760     11.39284716    -11.34398135
  H     18.71162764      5.86307949    -14.75646026
  H     15.62975390      9.69694231    -15.81482358
  O     16.31713177     10.16067273    -15.31885138
  H     17.03833253      4.41498662    -13.42502659
  H     17.17774068      9.88989577    -15.66752543
          69
 Ord_Energy   -248.171478    
 O    1.32477248       3.55534410       9.26554585    
 H    1.50322592       3.30898094       10.1828728    
 H    1.85568631       2.94433951       8.73987103    
 O    6.43890476       1.83057308       6.33094025    
 H    6.05526114       1.01995754       6.70526791    
 H    7.37009144       1.66193569       6.20624304    
 O    4.40043736       2.10370111       4.28368950    
 H    4.20915747       1.21954107       3.94753098    
 H    5.16142368       2.02712941       4.87062168    
 O    5.34043264     -0.227916285       11.8148603    
 H    5.99793863     -0.251088053       12.5045185    
 H    5.26839256      0.700023830       11.5242062    
 O    3.84954333      -2.08073568       5.63541985    
 H    4.29848909      -1.43733335       6.20377922    
 H    2.91774464      -2.08684683       5.90255308    
 O    3.22579002       5.07265711       7.71096420    
 H    2.51976705       4.87436628       8.33805275    
 H    2.93996167       4.67103195       6.87771082    
 O    1.17757142      -2.03050900       6.46134186    
 H    1.11162043      -2.82903194       6.99756384    
 H    1.04358172      -1.28930044       7.07198858    
 O    4.92238092       2.31915808       11.0461769    
 H    4.02200460       2.57297850       11.2813969    
 H    5.12603378       2.74872255       10.2053518    
 O    4.56430435      -1.77177525       9.63153267    
 H    3.60974193      -1.80324304       9.79121017    
 H    4.95226192      -1.32320142       10.3937235    
 O    2.47376466      -6.01505712E-02   12.1231060    
 H    2.12433791     -0.748416126       11.5433350    
 H    3.42812371     -0.199523792       12.1515131    
 O    1.79392469      -1.87908590       10.0683136    
 H    1.56791317      -2.71433687       9.64370632    
 H    1.41534328      -1.18033230       9.51231098    
 O   0.933593988      -9.35214311E-02   4.40196037    
 H   0.881746531     -0.839956343       5.01199389    
 H    1.79008353     -0.164996058       3.96560335    
 O  -0.734484494       2.11993933       7.87169647    
 H  -0.224431828       2.78190732       8.35620975    
 H  -0.592609227       2.28726959       6.93150282    
 O    2.40750813       3.36745858       5.62886810    
 H    3.06751060       2.99486423       5.02328348    
 H    1.52753866       3.10587311       5.33294153    
 O  -0.122656159       2.31986904       5.05494785    
 H   0.209106952       1.43827820       4.80736208    
 H  -0.786246479       2.55395103       4.41099882    
 O    5.21174860       3.34282398       8.47074604    
 H    4.65442324       4.08562946       8.18672752    
 H    5.73318386       3.04097486       7.71904850    
 O   0.955801964       2.50095800E-02   8.28480053    
 H    1.74538779      0.563323319       8.14243603    
 H   0.207952663      0.634436369       8.20835686    
 O    1.45507371      -4.14123201       8.35708809    
 H    1.15152168      -5.03853512       8.46433640    
 H    2.41266727      -4.18485832       8.18471050    
 O    2.15514779       2.62661886       11.7935143    
 H    2.17365956       1.66017127       11.9083443    
 H    1.90136123       2.99343491       12.6371765    
 O    4.93928051     -0.229659900       7.38451529    
 H    4.91568470     -0.758033574       8.19483852    
 H    4.21902370      0.412964225       7.45485735    
 O    4.12347174      -3.93344069       7.83953428    
 H    4.45051622      -3.30797625       8.50025177    
 H    4.18654156      -3.47844529       6.99109030    
 O    3.61555219     -0.497134477       3.40709996    
 H    3.77022600      -1.13776004       4.12095070    
 H    3.82026291     -0.942349315       2.58828068    
 O    3.05038834       1.75777173       7.75652361    
 H    2.79503083       2.23809457       6.95357561    
 H    3.78271794       2.25078964       8.15356350    
          69
 Energy    -248.17125130575715     
  O      1.12672371      7.97484289      4.16065165
  H      1.55444781      8.48399338      4.86491087
  H     -1.91833538      8.82212828      1.93991606
  O     -0.08050378     12.17741674     -0.54724370
  H      0.40177883      8.52984751      3.84384737
  H      0.62310643      8.86305388     -0.21767724
  O     -0.91126363      8.02386910     -3.14870013
  H     -0.63168246     12.78824534     -1.03016213
  H      1.94437354      9.14328252      0.56044837
  O      0.86608699      6.40102959      1.93253040
  H     -0.44248899     11.28726289     -0.70727979
  H     -0.92486608      5.69139223     -0.82295508
  O      4.66423193     10.96392480     -0.65542993
  H     -1.41715380      8.03311938     -3.95633360
  H     -0.63453693      6.43555600     -2.15471252
  O      2.95712219      7.26703118     -1.84611695
  H     -0.02412058      8.36938770     -3.36495672
  H      3.58610226     10.70368524      0.77936094
  O      3.06746259      4.97172902      0.97558782
  H      1.05796759      7.10326075      1.29034022
  H      3.34078205      9.85079629      2.07719588
  O     -0.92028814      9.72089953      3.28316698
  H      0.94703063      6.79554858      2.81107527
  H      2.10397041      3.87194915     -2.27935098
  O      5.09353637      6.61815241      1.69605932
  H      5.45026803     11.47064997     -0.83880671
  H      1.15360688      4.92985671     -1.66903386
  O     -1.58930946      5.73855140      0.96921490
  H      4.92246682     10.02381772     -0.67875093
  H     -1.53345521      9.24601802     -0.20134681
  O      2.21332275     11.30842495     -2.15156886
  H      2.40419662      7.64823698     -1.14667001
  H     -1.03572471      9.11414173     -1.68401563
  O     -2.34207289      8.47859855      1.14307608
  H      2.75544881      6.32476490     -1.87343319
  H      2.21393793     10.59695145      5.41413173
  O      1.40488761      8.44608440      0.16570226
  H      2.79932645      4.74262658      0.07798837
  H      3.32243953      9.59362314      5.02946917
  O     -0.42294938      5.64430391     -1.64476327
  H      2.28074370      5.34781548      1.39355188
  H      1.50972347     13.05147537      4.98562846
  O      2.92463439     10.43864928      1.43010023
  H     -1.33251006     10.14647556      4.03312463
  H      1.10058593     12.10608908      3.84809869
  O      2.07187466      4.60324041     -1.66885374
  H     -0.40677585     10.40916545      2.83024026
  H      2.90820970      8.23350817      3.45786305
  O     -0.94435961      9.62649148     -0.87136226
  H      4.39772111      5.99685175      1.41637559
  H      4.25992421      7.87937806      2.77037623
  O      2.60663667      9.74561326      5.65599276
  H      5.83101461      6.08778613      1.98718494
  H      1.49199091     11.27377365      1.91936164
  O      1.36473015     12.13054609      4.77953619
  H     -1.95956160      4.96735852      1.39138227
  H      0.30683796     12.00795799      1.26181649
  O      3.78060663      8.58128749      3.22894921
  H     -0.71645627      5.88940589      1.37256160
  H      1.76225328      9.84954061     -3.14569954
  O      0.63366299     11.68669767      2.11031628
  H      3.04434682     11.24978632     -1.66560960
  H      2.14176259      8.35593482     -3.11101283
  O      1.55015769      8.99002010     -3.53733247
  H      1.56470305     11.69139844     -1.55185596
  H      5.25949206      7.78376322      0.18271424
  O      5.19583139      8.32754342     -0.61024885
  H     -2.18999822      7.52540466      1.13132345
  H      4.51044350      7.91448528     -1.15541872
          69
 Energy    -248.17117965435096     
  O     17.04189156      9.54657512    -11.64788651
  H     16.74652945      9.19261246    -10.79504315
  H     13.20651082      9.55659240     -8.60852496
  O     14.95846641      4.98696055     -7.28931464
  H     17.02650733     10.50997523    -11.56675412
  H     11.90808730      8.66475349     -6.60341886
  O     16.90111223     12.21045857    -11.04122019
  H     15.21276419      4.09703681     -7.06092928
  H     12.57181343      7.70600516     -7.62428777
  O     12.61287230      6.18025731     -8.38164330
  H     15.44087916      5.21828774     -8.10256580
  H     16.03557695      5.71581198    -10.46070502
  O     15.19312543      8.38464981    -13.27072164
  H     17.69575519     12.27641342    -10.49367441
  H     16.13064006      6.82795627     -9.39728014
  O     19.18842582      7.80491856    -11.64266170
  H     16.15611277     12.31813629    -10.43921373
  H     17.85446226      6.48687732    -14.26024808
  O     20.07981842      9.57990853     -9.55152551
  H     13.31417674      5.64768559     -7.98845333
  H     18.73465202      5.23055990    -14.06244188
  O     18.99702319      6.16029267     -9.35103531
  H     12.71627747      6.10456982     -9.34115073
  H     17.79260694     11.95608851     -8.01079283
  O     13.02787741      6.13346280    -11.13213151
  H     14.33077336      8.62514306    -12.91377567
  H     17.08571315     10.90477423     -7.12596832
  O     14.83948147     12.34259072     -8.96299668
  H     15.85846915      8.85670928    -12.74418726
  H     16.22485852      7.92081124    -14.67903365
  O     12.81725084      8.91410702    -11.86719945
  H     18.47133332      8.45374154    -11.71156940
  H     17.09136275      8.31664274    -15.88618315
  O     13.57556458      9.91660302     -9.42738073
  H     19.01229151      7.14867593    -12.32669704
  H     16.46490987      8.83858194     -8.45987423
  O     12.65842026      8.57362106     -7.18450629
  H     20.00177884      9.02786442     -8.76436470
  H     15.16416565      9.00502505     -9.31269981
  O     16.22149256      5.87086581     -9.52623481
  H     19.93324686      8.99839379    -10.30687639
  H     19.91129768     12.69176160     -9.27573056
  O     18.26343159      5.91212970    -13.58973071
  H     18.06298455      5.91483625     -9.36009949
  H     19.49552025     11.21156397     -9.42058197
  O     17.00651578     11.80513662     -7.47107048
  H     19.13144064      6.67987910    -10.15509656
  H     14.30586243      7.95988095     -6.32261248
  O     16.92739633      7.60607397    -15.27109042
  H     13.84261038      5.82937493    -11.54581574
  H     15.09461769      6.63940923     -6.33553288
  O     16.03774894      8.59563864     -9.29227103
  H     12.89557048      7.03839753    -11.43999705
  H     15.47316551      6.68818154    -12.58346048
  O     19.15214782     12.11592723     -9.31061108
  H     14.50351766     13.20141783     -8.72041057
  H     16.57004589      5.62445350    -12.65893510
  O     15.12232246      7.54928670     -6.01464807
  H     15.58881802     12.15742950     -8.36657742
  H     20.33313439      7.43945438     -6.77959920
  O     15.71454365      5.81011960    -12.25500135
  H     11.98356787      9.30519444    -12.11686671
  H     19.42997294      7.13754224     -8.00093504
  O     19.64247779      7.80657651     -7.32449030
  H     13.06347444      9.30312349    -11.01118521
  H     16.54317837      8.54617813     -6.41670182
  O     17.20724980      9.11649245     -6.83390314
  H     13.94274119     10.79384801     -9.24992061
  H     18.04638387      8.64203153     -6.88049653
          69
 Energy    -248.17108818456182     
  O     17.28082338      6.28215057     -9.60878188
  H     17.83534166      6.03077432     -8.86091212
  H     18.67563225      9.05580347    -11.54958758
  O     18.40076847      3.52783810    -12.25044244
  H     16.72687682      7.03531315     -9.35801037
  H     18.72109921      8.19797339    -14.71554868
  O     19.68146866      5.63661675    -13.54601390
  H     18.22002292      2.60856756    -12.42998470
  H     18.22675186      7.57209524    -16.04098075
  O     21.65844921      7.84927101    -10.33089175
  H     17.54506172      3.95017294    -12.06018840
  H     21.02538438      4.47031650    -10.32294477
  O     16.16026313      4.95327420    -11.68055095
  H     19.21587505      4.84335639    -13.25182555
  H     19.63151895      3.92719728    -10.74170093
  O     22.40550655      6.15910050    -13.35602862
  H     19.13132526      6.11719343    -14.17756082
  H     14.12442137      6.99127162    -13.80036531
  O     20.02261649      8.27980425     -8.01159204
  H     20.74708486      7.68211740    -10.62413516
  H     12.83823260      6.79484166    -14.63589741
  O     12.94792410      7.53490410     -9.51130776
  H     22.09863526      6.99073376    -10.33860038
  H     16.61941538      9.69642384    -11.85441122
  O     22.66868064      5.22568601    -10.82685429
  H     16.54025051      5.38302851    -10.89790140
  H     15.81125925      8.53120775    -12.47864775
  O     19.16712416      7.33468796    -11.35718453
  H     15.19963201      4.95412743    -11.55957546
  H     16.08943412      6.29095149    -12.95002318
  O     18.02160027     10.07208941     -8.84093196
  H     21.48088461      5.93111449    -13.53170213
  H     16.68332267      7.15569139    -14.11710795
  O     18.39295099      9.98396264    -11.55526336
  H     22.43938745      7.12297050    -13.32659735
  H     22.87442909      9.67068647    -12.77077409
  O     18.21786533      7.45358903    -15.09482351
  H     19.79646155      7.35720449     -7.84666659
  H     22.06787658      8.69256306    -11.89125461
  O     20.17323661      4.16740329     -9.98323357
  H     20.72925142      8.25671604     -8.66788114
  H     14.72136400      8.11990810     -9.13134581
  O     13.15430513      6.95417381    -13.75037319
  H     12.86090605      8.12034296    -10.28554654
  H     15.67786180      8.77692399    -10.14354295
  O     15.73774158      9.30249091    -11.90157139
  H     12.17290085      7.67460685     -8.97351272
  H     12.85000839      8.41002792    -12.52374150
  O     15.90782996      7.02012480    -13.55958455
  H     22.64333699      5.49680767    -11.76194439
  H     13.85821267      9.34393663    -11.83720142
  O     22.22771512      8.96977080    -12.80855584
  H     23.52399629      4.83191520    -10.67671144
  H     19.18503256      9.85773681    -13.22274461
  O     15.62809448      8.43006907     -9.23992417
  H     19.33395567      6.72600928    -12.08593057
  H     20.54614827      9.30287891    -13.67299068
  O     12.94495472      9.02758862    -11.78809680
  H     18.53373811      6.93238751    -10.74881745
  H     19.61298285      4.98414915     -8.54850474
  O     19.64271358      9.45516532    -13.97464696
  H     18.70606515      9.49561111     -8.47001762
  H     19.29199343      4.94557849     -7.03403155
  O     19.24258994      5.49888261     -7.80878261
  H     17.18608332      9.60570993     -8.73225091
  H     13.20294209      5.82362796    -12.17125813
  O     13.47936698      5.38136157    -11.35926367
  H     18.31977199     10.22515399    -10.61990866
  H     13.29098666      6.00415141    -10.64617756
          69
 Energy    -248.17079483464860     
  O     17.34125076      9.64260099    -11.69240122
  H     17.37516067     10.57778020    -11.45089855
  H     12.86658320      7.54223177     -7.98323977
  O     12.87947659      5.75289425     -8.76878042
  H     18.11300530      9.20428162    -11.30497832
  H     18.31095092      4.15356286    -12.05008126
  O     17.38978904     12.22960705    -10.67248740
  H     13.82308582      5.77501530     -9.00656647
  H     19.47752103      3.33795006    -11.44344757
  O     12.10749650      6.12397963    -11.44498103
  H     12.76937933      5.04112013     -8.14283992
  H     15.24805139      5.75064292    -10.66108297
  O     15.73366559      7.98912401    -13.25425398
  H     17.83790424     12.03200181     -9.82892711
  H     15.48539859      6.97695871     -9.73125830
  O     19.30695541      8.19260793    -10.39936237
  H     17.73585170     13.06296011    -10.98069683
  H     19.75762579      7.28521445    -11.98165063
  O     20.07776463      9.29486704     -7.91474489
  H     11.19769386      5.88513670    -11.60708195
  H     19.68114894      5.78323817    -12.29170579
  O     18.14616536      5.86449135     -9.33109179
  H     12.26273210      6.00649880    -10.49506702
  H     15.66643865     11.81156085     -7.46019710
  O     15.00839971     12.22816096     -9.00945312
  H     16.37074349      7.59455653    -13.86390401
  H     15.88724393     12.14457149     -5.96540565
  O     13.12103523      8.73842429    -12.17514912
  H     16.24711145      8.61943483    -12.72870723
  H     18.56510676      6.76350736    -13.98499581
  O     13.33314170     10.18711747     -9.84059786
  H     19.69835028      8.64709732     -9.64455271
  H     18.24087321      6.84545003    -15.49503482
  O     12.98358984      8.45708444     -7.70527498
  H     18.86757581      7.40774214    -10.03979108
  H     16.31235993      9.05519756    -10.34009539
  O     19.04436724      4.18664838    -11.40957758
  H     19.46954382      8.65406968     -7.50268883
  H     14.87792997      9.22421528     -9.76956006
  O     15.40930380      6.00855113     -9.74299798
  H     20.90110109      9.24053490     -7.43732195
  H     19.05158281     10.83619462     -8.12460743
  O     19.76557875      6.64962622    -12.70872313
  H     18.50918492      5.21420151     -9.94550823
  H     17.76942397     11.55057405     -7.62477578
  O     16.13181385     11.52893872     -6.65095687
  H     17.18434699      5.82387786     -9.42646729
  H     13.77504551      5.63363892    -12.22080660
  O     17.84509803      6.70622125    -14.63879609
  H     15.69497841     12.28102582     -9.68335255
  H     15.03732031      6.41776883    -12.68944296
  O     15.69115231      8.70732936     -9.69084181
  H     14.33805666     11.61391556     -9.34219273
  H     17.42371514      7.82394040     -6.84379595
  O     18.47056685     11.58887138     -8.28718745
  H     13.94181730      8.56903205    -12.65251920
  H     18.25249507      6.79982401     -7.66869334
  O     14.72206057      5.55312599    -12.38144038
  H     12.73141042      7.87657787    -11.98837447
  H     15.83308579      8.73743985     -7.91209907
  O     18.31428691      7.47512371     -6.98101726
  H     13.02107116      9.63095483     -9.11093947
  H     15.88866659      9.67466916     -6.69119203
  O     15.77311935      8.74907594     -6.94375629
  H     13.13011986      9.75329358    -10.68218849
  H     16.17941982      4.56133813    -12.96247717
  O     17.06566738      4.31772191    -13.26132532
  H     13.84627213      8.49998079     -7.27258871
  H     17.32753345      5.02073334    -13.86920963
          69
 Energy    -248.17057354416687     
  O     16.50286538      9.67367567    -15.66288653
  H     16.57961495     10.63440427    -15.70912401
  H     16.68818741      4.40391158    -14.93361189
  O     14.41544223      8.24797856     -9.77838720
  H     17.38478439      9.27706344    -15.67019076
  H     15.31882426      6.76348280    -12.43647745
  O     16.34181187     12.46011547    -15.29848278
  H     14.20119506      7.90169987     -8.91612088
  H     15.52114489      7.38575755    -11.02388728
  O     14.08280321      8.40976724    -15.57209255
  H     14.90234994      9.07867002     -9.63118210
  H     18.29370029      7.11702264    -16.63022360
  O     18.84427546      8.26807124    -15.36263287
  H     15.72136664     12.32945972    -14.56308240
  H     18.46809926      6.33630103    -17.94990305
  O     20.58947845     10.15092656    -14.33510414
  H     16.03454461     13.21809583    -15.78955191
  H     18.34646537     11.95940847    -11.09322521
  O     18.38842060      6.64526972    -13.16987476
  H     14.93622545      8.86334064    -15.65188303
  H     17.27590457     13.05646030    -11.16770477
  O     12.68246866      8.29583414    -12.04540145
  H     13.47753246      9.03753330    -15.16237972
  H     14.62765062      6.99127350    -16.73972426
  O     12.47670716     10.18328325    -13.95916992
  H     19.52771344      8.90440203    -15.11603621
  H     15.96747810      6.37066894    -17.21505829
  O     14.67173843     11.74750752    -13.17805154
  H     18.67307349      7.72217701    -14.57924873
  H     16.18781055      8.77069155    -12.51027552
  O     15.33914401     12.99574478    -10.79241472
  H     21.45924895     10.49992352    -14.50983553
  H     16.51208577      9.57637749    -13.80382130
  O     17.61510089      4.67039006    -14.93410082
  H     20.00215709     10.91740940    -14.20314470
  H     18.09923523     12.38699898    -14.50802988
  O     15.98414160      7.11429626    -11.82600644
  H     18.20321331      5.85155346    -13.69305930
  H     18.71571066     12.52608589    -13.10471410
  O     17.88421576      6.44879896    -17.20336459
  H     17.62052298      6.77893619    -12.59875995
  H     17.63558110     10.04404697    -11.58431997
  O     18.18202281     12.85529944    -11.42299829
  H     13.19379656      8.34336886    -11.22848229
  H     18.99786359      9.57424938    -11.04406183
  O     15.02600546      6.18890057    -17.09995340
  H     13.00166955      7.51326911    -12.51472247
  H     14.20599613      5.54561748    -14.06811257
  O     16.37046505      9.65541881    -12.85325241
  H     11.55474315     10.36070352    -14.12620467
  H     14.07232338      7.06692821    -14.32344639
  O     18.90539665     12.22974245    -14.00790759
  H     12.50882348      9.54172797    -13.22501151
  H     20.41007314      9.06180724    -12.72146448
  O     18.24002633     10.13481509    -10.83266373
  H     15.26946898     11.01561081    -12.94886251
  H     19.68746882      7.76595656    -12.30316578
  O     14.02927992      6.38835874    -13.63354633
  H     13.84497341     11.33651242    -13.45883805
  H     16.76216296     10.33135009     -9.74721087
  O     20.17847125      8.52219700    -11.95614765
  H     15.01628056     12.64586716    -11.63815116
  H     15.62956751     11.37472184     -9.77457119
  O     15.85838604     10.49953571     -9.44302403
  H     14.78638838     13.74208681    -10.57379134
  H     14.35998173      3.43480806    -15.58372890
  O     14.78217710      4.22012295    -15.24630594
  H     17.74898799      5.12998471    -15.77179112
  H     14.82345036      4.85826903    -15.98229177
          69
 Energy    -248.17019380166940     
  O     15.53194809      9.23135627    -11.54055932
  H     14.97623528      9.53872258    -10.81298900
  H     13.94584639      9.49620149     -8.18197347
  O     19.20681934      4.24298363     -9.08820133
  H     16.31044136      8.84762199    -11.10802300
  H     12.37691678      8.76156496     -9.81453750
  O     16.01702838      4.11310205    -11.55419593
  H     18.98417634      4.73729881     -9.89622173
  H     11.47707519      7.51220284     -9.77587773
  O     13.65082851      5.29718486    -10.77773891
  H     19.94063120      3.67430360     -9.30838459
  H     15.67375123      8.74373802     -5.99541759
  O     18.02024996      6.21828485    -13.88970746
  H     16.78848443      4.67305652    -11.39042937
  H     17.16096056      8.73899843     -6.46344533
  O     16.48870954      3.37626887     -8.79262068
  H     15.93448142      4.05534923    -12.51489573
  H     12.60623648      7.87920803    -11.73826010
  O     16.50854069      8.68810370    -14.10021683
  H     14.41483671      4.78517180    -11.07554494
  H     14.09410749      8.11917159    -12.10096145
  O     18.68737532      8.85587581     -7.67467802
  H     13.51751888      6.01986071    -11.40885079
  H     18.12422177      6.54103915    -10.81815242
  O     15.29984282      5.00457506     -6.91221986
  H     17.58885581      7.07553476    -13.98983038
  H     18.38589683      5.85001916    -12.18457697
  O     17.47470713      7.99985580    -10.02484724
  H     17.36932579      5.55855033    -14.15978620
  H     15.29326757      5.16690459    -14.50245124
  O     15.27409871      6.76860200     -9.05403432
  H     17.43428884      3.57120020     -8.79521744
  H     15.69702648      3.79509020    -15.09301670
  O     14.05688796      9.27557731     -9.11381206
  H     16.21739055      3.42900020     -9.71627982
  H     13.31113413      9.57324149     -5.65401879
  O     11.65190596      8.31810653    -10.27641331
  H     16.76375781      9.48139018    -14.56597695
  H     13.50463839      8.22468655     -6.38593113
  O     16.55831597      8.42633761     -5.77865743
  H     16.16709827      8.97468564    -13.23859682
  H     12.31395755      5.47022396     -9.58542137
  O     13.32488185      7.57514412    -12.31277212
  H     19.43115568      9.41471906     -7.46618253
  H     10.94074613      5.07700886     -9.00082904
  O     18.35187327      5.69515176    -11.22976100
  H     18.95641637      7.94016920     -7.47106800
  H     17.32314436      5.79846082     -4.16096517
  O     15.84600225      4.37851737    -14.35386652
  H     15.66184934      4.33630951     -7.51370712
  H     16.97391756      6.83099728     -5.26357704
  O     13.84785487      9.13404122     -6.30842987
  H     15.97354920      5.19994241     -6.24937089
  H     12.44670169      6.31947952     -7.35178302
  O     11.61843924      5.74811104     -8.96628083
  H     16.72417461      7.51574936     -9.64021290
  H     13.72369336      5.93893903     -6.58465223
  O     17.24342522      5.90681774     -5.10456784
  H     17.94310099      8.41058180     -9.28842862
  H     18.62817681      6.00951422     -6.39242780
  O     12.99174675      6.57102947     -6.59659232
  H     14.73367185      6.25674391     -9.66852478
  H     19.24831296      5.55414548     -7.73958637
  O     19.22973945      6.27536166     -7.09939802
  H     15.32965187      6.25085364     -8.24112542
  H     13.90673860      6.94822424    -13.95268475
  O     14.50693408      6.71044794    -14.67299139
  H     14.45489733      8.39111302     -9.10029416
  H     15.17302354      7.40858976    -14.67608249
          69
 Energy    -248.17016815741218     
  O     -1.35532976     -3.15047576     -1.68887935
  H     -0.91141617     -2.43739246     -2.17934507
  H      1.20042132      2.09617421      1.47791585
  O      1.93070548     -1.17005264      0.29836934
  H     -1.23353072     -2.94534600     -0.75152839
  H     -2.75877263      0.47401579     -0.36803994
  O      1.72739672     -4.23411226     -4.04434549
  H      2.19360884     -1.02407112     -0.62231748
  H     -4.10269712      1.16613515     -0.70184430
  O     -1.58611782      0.06342028      0.82152142
  H      1.68367595     -0.30078053      0.63754778
  H     -0.18139544     -2.45882110     -5.93420728
  O     -1.79424034     -3.34648971     -6.36382289
  H      2.60931956     -3.96504967     -3.75869202
  H      0.25282069     -1.74447636     -4.62779569
  O      0.92781467     -4.83104128     -1.40680427
  H      1.41188088     -3.51551115     -4.61083237
  H     -1.51593744      1.50125124     -3.74136583
  O      2.79646429      1.50333441     -3.85296096
  H     -0.77279312      0.57782230      0.88940998
  H     -2.06793237      1.23889217     -2.29369557
  O     -1.16559645     -4.71924949     -4.10733615
  H     -1.32933160     -0.85882826      0.95094597
  H     -0.48150307     -0.26937410     -2.90091183
  O      4.10996221     -3.19606569     -2.86122039
  H     -2.07150597     -3.92908193     -7.06547258
  H      0.87194234     -1.02806825     -2.71195798
  O      1.07905300      2.28753048     -1.66746364
  H     -1.66714336     -3.90016474     -5.57273261
  H      0.37398820     -2.09372856      0.65735387
  O      2.62966947     -0.84448638     -2.37476999
  H      0.13184180     -4.28365058     -1.43768250
  H     -0.27210869     -3.39622855      1.20441173
  O      0.95009543      1.39688127      0.88033658
  H      1.27828418     -4.79562611     -2.30575007
  H     -2.20005638      0.52987169     -5.52062992
  O     -3.36440703      0.70887951     -1.09495687
  H      3.47018574      2.03569508     -4.26672132
  H     -2.24483141      1.94387710     -6.15191238
  O      0.58098561     -2.08360274     -5.47639900
  H      2.16614444      1.25511026     -4.55360941
  H     -2.98927916     -2.25645975     -2.28990372
  O     -1.26866413      1.39078472     -2.81421599
  H     -0.20247620     -4.77445539     -4.10720017
  H     -3.61148194     -0.85999701     -2.12820016
  O     -0.05771187     -1.13488482     -2.95491476
  H     -1.40320156     -4.31369533     -3.26485553
  H     -2.65119996     -1.78659216     -5.74084208
  O     -0.47388982     -2.51696340      0.85838106
  H      3.91290927     -3.37932539     -1.92430646
  H     -3.24373729     -1.21745921     -4.42770163
  O     -1.74241906      1.39131787     -5.56005867
  H      5.03002945     -3.40515716     -2.99729054
  H      1.05238010     -5.52331625      1.82986851
  O     -3.59709039     -1.63444941     -2.70439950
  H      0.21996154      2.07448541     -2.06115179
  H      0.55629412     -5.27460456      0.40058212
  O     -2.95415019     -0.97498316     -5.31945718
  H      1.72684559      2.13565581     -2.36322320
  H      0.98461859     -0.26622449     -5.81119126
  O      0.32857387     -5.14636999      1.33326324
  H      3.20221372     -1.56059241     -2.67457121
  H      0.11389211      1.00158571     -5.74298174
  O      1.02914133      0.69598278     -5.73612137
  H      2.83049033     -0.04859280     -2.88423399
  H      2.91747413     -2.79704499      0.09542116
  O      3.23103827     -3.60727454     -0.32619728
  H      1.03032055      1.75526690     -0.02230043
  H      2.43108813     -4.08049198     -0.59488169
          69
 Energy    -248.16992803042780     
  O     13.10649712     11.74052791    -10.72051643
  H     12.23732133     11.36756693    -10.93643615
  H     16.46518583     14.43471745    -18.35248115
  O     10.84620067     11.93748238    -14.38947833
  H     13.09520241     12.63044354    -11.09594310
  H     13.73734524     14.83912317    -11.53702663
  O     14.08949789      9.51319335    -12.07505946
  H     10.89290140     12.13664233    -15.33464755
  H     13.68230093     13.77719709    -12.66635953
  O     18.61148223     14.16579239    -13.51653574
  H     10.75441122     12.79407304    -13.95091345
  H     11.54371363     15.09999569    -14.84127667
  O     11.72335358      8.05225313    -11.91123927
  H     15.04699418      9.46959240    -12.18304409
  H     11.77576223     14.42678588    -16.20062360
  O     13.26855443     10.59147020    -14.50276254
  H     13.87212343     10.29447263    -11.54443993
  H     14.24701216     12.13049439    -14.18434526
  O     15.21105419     15.57338227    -10.70293326
  H     17.90828999     14.83672258    -13.43534670
  H     14.77878351     13.59006720    -14.45081008
  O     10.77361203     10.69167621    -11.75451323
  H     19.44133587     14.61883098    -13.39797009
  H     17.59081112     11.97420421    -15.74995358
  O     14.78436842     15.16297717    -15.34692032
  H     12.61946366      8.42347648    -11.94154584
  H     18.12001878     13.31338366    -15.16699003
  O     13.84583108     12.22290339    -17.74520761
  H     11.75823795      7.33804013    -11.27891311
  H     12.21564431     12.56465552    -17.31205795
  O     10.72883283     14.49802932    -13.20773684
  H     12.39306800     10.99273473    -14.42372369
  H     10.77108295     12.75808991    -17.82850826
  O     16.00573177     14.05011848    -17.61143525
  H     13.48123319     10.15664660    -13.66604392
  H     17.58739622      9.15712597    -12.14557088
  O     13.14169505     14.24898986    -12.01350871
  H     15.40429761     14.68570723    -10.35106646
  H     16.97426329     10.55101488    -12.42479176
  O     12.05712646     15.17119017    -15.65463779
  H     15.29993644     16.18378853     -9.97592081
  H     16.30107772     10.01969960    -15.87072896
  O     14.71639126     12.87901789    -13.79827690
  H     10.92894364      9.73861810    -11.81888860
  H     16.99283293      9.93614137    -14.49255451
  O     17.76775241     12.90258087    -15.96292187
  H     10.63246861     11.00378526    -12.65490835
  H     14.29402632      8.86213910    -16.96484703
  O     11.30456242     12.77575020    -17.03838223
  H     13.83046085     15.26489497    -15.48385037
  H     14.08342328      9.96979490    -15.90409576
  O     16.85046254      9.59529731    -12.56402556
  H     15.18233721     14.91111139    -16.18948526
  H     16.16242683     12.49295075    -12.85416737
  O     17.09371057     10.28100393    -15.38565256
  H     14.58773698     12.83971693    -17.75018897
  H     17.64691855     12.87010378    -12.62998460
  O     14.61992727      9.71036136    -16.67470871
  H     14.20052932     11.36106340    -17.49653015
  H     16.06335788     15.83607578    -12.42184268
  O     16.94305431     12.29170350    -12.31272669
  H     10.05883840     14.82861062    -12.61535617
  H     15.88902602     15.75180117    -13.96693169
  O     16.53850928     15.86971717    -13.25971074
  H     11.56098481     14.46381532    -12.70411943
  H     16.15156935     12.68556098    -10.68642506
  O     15.59618835     12.98267905     -9.95157129
  H     16.68099554     13.62643320    -17.04836868
  H     14.78992606     12.45469429     -9.99570243
          69
 Energy    -248.16987288147246     
  O     19.19980794      9.55634912    -14.81472390
  H     19.64379513      8.69540185    -14.83935856
  H     19.97763159      5.99831920    -14.65103763
  O     21.72477283      6.66544327    -12.21564168
  H     18.34440818      9.41584832    -15.23381907
  H     19.94964892      4.07926581    -13.47781461
  O     15.96607714      8.30237771     -9.69230764
  H     21.40717767      7.34827777    -11.60692864
  H     18.68747076      3.94803750    -14.35924445
  O     12.95553249     10.77226359    -12.32229235
  H     21.30101344      6.84594732    -13.06475713
  H     15.73534045      9.89464625    -13.17519550
  O     16.61546018      8.83786710    -15.99286119
  H     15.58786189      7.53460689    -10.14481965
  H     15.52946651      9.71130797    -14.70113645
  O     11.64493395      8.23188614    -12.52192070
  H     15.21877739      8.89913633     -9.53800748
  H     17.50561675      7.98419430    -12.48462615
  O     18.37270004      5.39133716    -10.70169968
  H     13.68498656     10.57332537    -12.93185770
  H     17.94912932      6.53635769    -12.06691303
  O     14.47552562      6.35092292    -11.03338254
  H     12.67426084     11.66328580    -12.51656582
  H     14.70034992      6.80331598    -14.16204197
  O     20.70906349      4.24725938    -11.67047013
  H     16.52735260      7.90239956    -15.74555419
  H     14.35671627      8.22646039    -13.69099225
  O     16.10905897      4.15518363    -11.74133827
  H     16.57045963      8.87051690    -16.94589725
  H     17.56855354      7.84936774     -9.07203609
  O     16.77798022      3.59871721    -14.31483145
  H     11.92498337      9.15558069    -12.48734500
  H     18.57650673      7.59340733     -7.92944160
  O     20.01317837      6.94388984    -14.45095263
  H     12.32780730      7.77834180    -13.03468783
  H     13.41664175     10.14896593    -10.52215855
  O     19.61752217      4.20235103    -14.37534523
  H     18.52677160      6.01750290     -9.98533081
  H     13.01427563      8.94451577     -9.65574273
  O     15.06941248      9.92886006    -13.88194516
  H     19.21369436      4.97681164    -10.93988476
  H     19.84615843      8.32115792    -10.00459189
  O     17.76620844      7.11765015    -12.81599476
  H     14.36506962      6.67725625    -11.93821961
  H     20.19484981      9.30447444    -11.14890867
  O     14.07028513      7.30511318    -13.62976756
  H     13.64233682      6.52740391    -10.57927062
  H     19.91296419     11.45611760    -12.36960137
  O     18.47429655      7.55590808     -8.87752204
  H     21.37620755      3.63338644    -11.37708985
  H     19.41165792     10.27573582    -13.23615915
  O     13.61494169      9.70041481     -9.69177978
  H     21.16107712      5.09465815    -11.84417144
  H     16.81560465      6.57349976    -14.17689254
  O     20.55004180      8.59204853    -10.60434539
  H     15.43831714      4.79494792    -11.47242491
  H     16.40090481      5.32642200    -14.96981086
  O     19.45985232     10.61838881    -12.32502302
  H     16.91619678      4.44369481    -11.29302859
  H     11.24034275      6.96548759     -9.58131763
  O     16.30095684      6.28480204    -14.94974445
  H     16.46103584      2.73105642    -14.55083101
  H     11.77001528      7.60804454    -10.88673578
  O     12.02414132      7.32069576     -9.99113451
  H     16.50734837      3.75324034    -13.39157166
  H     17.77386885     10.07725469    -11.88984293
  O     16.91257296      9.64105656    -11.92479763
  H     19.27297341      7.08475631    -13.84042725
  H     16.66441992      9.30866285    -11.05276766
          69
 Energy    -248.16985976248370     
  O      6.99965009     -3.84163648     -3.55359549
  H      7.05882474     -3.01075188     -3.05875215
  H     10.11712984     -3.34056556     -0.39410011
  O      7.14267760     -2.88098931      0.43687302
  H      6.56717760     -3.62513226     -4.38893514
  H      9.88284012     -1.14662150     -0.93143849
  O      7.13387268     -1.46426920     -2.05839371
  H      6.53591501     -3.02764221      1.15737639
  H     10.23318357      0.24403591     -1.58824857
  O      8.38125509     -2.50779859     -7.35674356
  H      7.23440553     -3.73032235     -0.03204651
  H     11.16393034     -1.23398830     -6.82693546
  O     11.30955168      1.45155351     -4.72421383
  H      8.00382066     -1.04730878     -1.95992899
  H     11.45839082     -2.73908413     -6.99931082
  O      7.59860541     -5.09116040     -1.07428472
  H      6.93683173     -1.83744267     -1.19145315
  H     11.39175066     -4.79355039     -1.45082396
  O     14.34316067     -1.65194076     -5.98062304
  H      9.05229903     -3.19800540     -7.29462348
  H     10.21264080     -4.74169713     -2.44953010
  O      6.05750507     -2.84081764     -6.00566393
  H      8.80373482     -1.70117974     -7.03716789
  H     10.01080647     -3.47155467     -4.05540961
  O     13.22458475     -4.37990914     -1.49326012
  H     11.17429653      1.60972482     -3.78458052
  H      8.69197110     -4.28128545     -4.03047876
  O     10.47700842     -4.35488985     -6.79228065
  H     12.26153356      1.29649776     -4.80576753
  H     12.35271802     -2.36885431     -3.73253031
  O     10.65724824     -1.87622254     -3.84393988
  H      8.55695596     -5.18728119     -1.14007965
  H     13.75562939     -2.40185162     -4.40211349
  O      9.96794669     -2.57455353      0.17981527
  H      7.29066275     -4.84576154     -1.95738280
  H     13.02657476     -2.89522751     -0.22959162
  O      9.67482571     -0.53990907     -1.65651682
  H     15.00469131     -1.78716254     -6.65329565
  H     11.83950385     -2.16448507      0.40322264
  O     11.86452648     -1.86371463     -7.03129039
  H     13.47585590     -1.69847156     -6.42288355
  H     10.20219849      0.41663409     -5.61338339
  O     10.42798969     -4.78833374     -1.50784387
  H      5.31173069     -2.88406066     -6.59791069
  H      8.79415436     -0.27018981     -5.53855094
  O      9.64496696     -4.36353154     -4.17502080
  H      6.85544636     -2.77766447     -6.56082678
  H     11.80818218      2.29590629     -1.34545414
  O     13.27892409     -2.62176585     -3.59277788
  H     13.99158490     -4.94692972     -1.48011437
  H     12.24615237      0.89607757     -1.83731040
  O     12.77803554     -2.06752181      0.20000490
  H     13.31165784     -3.80566170     -2.27367953
  H     13.31777215     -0.82216731     -1.02695291
  O      9.66811998     -0.31808882     -5.95814313
  H     10.20231245     -4.47371092     -5.86769958
  H     13.46659255     -1.09504435     -2.52138229
  O     11.50052417      1.52044713     -1.80755235
  H     10.66673006     -5.22343737     -7.13777258
  H     14.07468183      0.54141881     -3.59964176
  O     13.48423067     -0.37946456     -1.87276562
  H     10.37881410     -1.35527563     -4.60678364
  H     14.22979686      0.01365008     -5.03946822
  O     14.02238955      0.80368540     -4.52500444
  H     10.33891186     -1.41417406     -3.05735280
  H      7.06631352     -0.65728716     -3.81550780
  O      7.19043830     -0.49258572     -4.75762245
  H      9.04320476     -2.61859935      0.45155703
  H      6.68136966     -1.18118067     -5.20197927
          69
 Energy    -248.16982960742217     
  O     19.29938291      7.10492467     -7.18002493
  H     19.76473941      6.63117471     -7.88248964
  H     16.43457543      9.32610424     -8.15838966
  O     17.07566281      5.81721474    -11.89343491
  H     18.42537784      6.70252834     -7.10959420
  H     20.66640423      6.26352369    -10.42356228
  O     16.76443335      8.97879198    -13.75419317
  H     17.79938225      5.33046319    -12.31118903
  H     20.01411420      5.08448624     -9.65564498
  O     15.72719933     10.72055666    -11.72297588
  H     17.46405642      6.56178623    -11.40839431
  H     17.35201616     13.08207860    -10.43980095
  O     19.56304386      8.85916276    -12.93219763
  H     16.61050187      9.15140700    -14.68102899
  H     16.77577705     11.68344026    -10.76826667
  O     14.89133554      7.19750350    -12.70293527
  H     16.10079386      8.32231594    -13.48770667
  H     12.75752920      6.58509533     -8.70472718
  O     19.43776444     10.20581779    -10.47125735
  H     15.08615787     10.13765859    -11.29503562
  H     11.37670417      7.25103632     -8.91130442
  O     19.29473812      3.40272063     -9.94236939
  H     16.10285713     10.21843659    -12.45529824
  H     16.37321013      6.90877563     -7.75639909
  O     14.05098698      3.44203141     -9.75828484
  H     18.64208015      8.86773040    -13.21785436
  H     16.69226234      5.43956042     -8.17099840
  O     21.05704017      6.69336770    -12.20960710
  H     19.62602232      9.47333569    -12.18754406
  H     13.41166336      8.29819724    -10.10982015
  O     18.15851363      7.72239015    -10.27001473
  H     14.65269906      7.72477099    -11.92528442
  H     14.86971618      8.65269609     -9.75622697
  O     16.15951985      8.49399594     -8.56803644
  H     15.62188317      6.61138684    -12.44475896
  H     19.66019141      8.79407364     -7.48427500
  O     20.27273537      6.01240117     -9.57735500
  H     19.72630375     10.05612220     -9.56088967
  H     20.60131106      9.96396837     -7.12886131
  O     17.43968260     12.15584307    -10.23320737
  H     18.80393290     10.93523077    -10.43875709
  H     15.83349307      3.85532260     -9.65769745
  O     12.21373223      7.08798056     -9.33736127
  H     18.35727522      3.60198688     -9.77651357
  H     16.76306255      4.80818430    -10.45067186
  O     16.60487183      6.03151402     -7.41170941
  H     19.47885800      2.56733275     -9.52101317
  H     14.66479947      5.67494177     -7.45204832
  O     14.20470003      8.72038441    -10.45911224
  H     13.56973965      2.62678666     -9.86923173
  H     13.83773445      4.70093028     -8.31256025
  O     19.89438836      9.70982457     -7.71663999
  H     13.70433355      4.06603374    -10.42170288
  H     18.16913536     10.54284097     -7.58107949
  O     16.71106915      4.25710344     -9.65505777
  H     20.51382985      7.44613333    -12.50213508
  H     17.26640307     11.40294809     -8.48394808
  O     13.77135472      5.49344023     -7.76531584
  H     21.92025382      6.81747186    -12.59601904
  H     19.42494480      3.94553676    -11.83211662
  O     17.26055280     10.85065924     -7.69182016
  H     18.56493472      8.57335313    -10.47670238
  H     19.99210856      5.15862278    -12.59799480
  O     19.33609475      4.45106049    -12.64930356
  H     18.85001460      7.15414097     -9.90528723
  H     13.59469856      5.88656339    -12.02655794
  O     13.06968450      5.34201665    -11.42915707
  H     16.87275538      8.22587710     -9.16777429
  H     12.65265563      5.95281576    -10.80721043
          69
 Energy    -248.16972287713588     
  O     16.94931899     10.36433864    -14.57196035
  H     17.63774896      9.72941191    -14.81442835
  H     17.75314066      3.92610103    -15.36055375
  O     14.29348493      6.88924492     -9.37230262
  H     16.14442854     10.05931048    -15.01801657
  H     15.51500400      7.93477582    -11.97875962
  O     12.25396075      8.45155959    -10.64322343
  H     14.22218049      6.27239711     -8.64913396
  H     15.13231288      6.77057353    -11.03568000
  O     14.75355994      9.16459235    -15.69446443
  H     14.63021672      7.72398684     -8.99831310
  H     18.12691950      6.21723526    -16.52073199
  O     19.06917871      8.58508573    -14.84388096
  H     12.86226819      7.83646786    -10.21697970
  H     18.65176672      7.65375009    -16.40714708
  O     17.97905324      6.68463177    -13.14323150
  H     12.45258253      9.32173551    -10.27712809
  H     18.58003109     13.06191328    -10.35355099
  O     11.50442869      8.18518542    -13.21926363
  H     15.03044353      8.77093627    -16.53156310
  H     17.94505540     11.66550818    -10.55193139
  O     16.25263923     12.81350770    -13.06604565
  H     14.48005159      8.42814020    -15.12812171
  H     16.66291454      7.51408411    -17.63858459
  O     12.69767525     10.55875159    -14.28446175
  H     19.63113629      9.17775630    -14.33638627
  H     15.71367469      7.77709905    -18.83199199
  O     13.85347912     11.79095038    -12.14613442
  H     18.71686369      7.92671521    -14.22270197
  H     16.17134768      9.85894626    -12.97560347
  O     13.09363524     11.00324395     -9.66427791
  H     17.90642339      5.97597333    -13.79597926
  H     14.95342668     10.31270036    -12.13644821
  O     17.58250583      4.85859342    -15.25838546
  H     17.12963695      6.71660880    -12.68149307
  H     18.58117899     10.76571499    -13.52109585
  O     15.49043001      6.96613558    -11.90912849
  H     11.73825190      8.27588786    -12.27770266
  H     19.23044053     11.42765089    -12.31160303
  O     18.22610000      7.03840757    -17.01846057
  H     10.58699486      7.92817756    -13.25314171
  H     16.70864826      9.94160417    -10.74650000
  O     18.26514977     12.45567836    -11.01915094
  H     16.51701807     12.17549263    -13.73784789
  H     18.06922957      9.42909955    -10.24477219
  O     15.73983315      7.70877689    -17.88145381
  H     16.94173733     12.79499959    -12.38983496
  H     14.39748781      6.88498478    -13.35607973
  O     15.66219431      9.65923820    -12.18010815
  H     13.34375656     10.20896042    -14.91036641
  H     12.99261851      7.31008034    -13.87079150
  O     19.38484649     10.75506902    -12.98703234
  H     12.19624733      9.79593779    -13.96994811
  H     18.92555304      7.74389714    -11.78372974
  O     17.35633669     10.04985801    -10.03313231
  H     13.36984268     11.46692412    -12.92208478
  H     19.41309669      9.20579420    -11.84340627
  O     13.86096210      6.99701524    -14.15299110
  H     14.61632226     12.30094996    -12.45408541
  H     15.96512878      9.60438458     -8.87178774
  O     19.25047537      8.46975198    -11.23835231
  H     13.34202690     11.37197531    -10.52972877
  H     14.46298669      9.97424184     -8.82295064
  O     15.10988119      9.32495217     -8.51927981
  H     12.55539635     11.66090914     -9.23101689
  H     15.19573259      6.15605013    -16.83510735
  O     15.09825652      5.49310408    -16.14144986
  H     16.66399132      5.01025543    -15.54597381
  H     14.56434370      5.91156111    -15.45146341
          69
 Energy    -248.16960018357116     
  O     -2.04963742     -3.13300404     -1.30886782
  H     -2.07320477     -3.81391246     -1.97698545
  H      3.30126885     -0.00204797      3.27919392
  O     -2.00722135     -0.98958460      2.11869740
  H     -2.31070568     -3.55659077     -0.47318480
  H     -4.04171667     -3.45689380      5.28176859
  O     -5.41750470     -3.76635589      2.20678200
  H     -1.70817570     -1.85328127      2.42200859
  H     -3.11842018     -4.00458679      4.18015411
  O      1.45269968     -2.22514461      5.14524132
  H     -2.92810353     -1.08805924      1.83931786
  H     -4.38850453     -0.66099238      5.69896517
  O     -2.81681676     -4.25006515      1.06317430
  H     -6.17605490     -4.34282650      2.18161171
  H     -3.55583344      0.39319013      4.95600417
  O      1.91039342     -2.59526851      1.54836912
  H     -5.00941857     -3.87191361      3.08532940
  H      0.25111695      2.27734007      2.68502444
  O     -3.67444260     -2.21429575      6.64568129
  H      1.48261586     -3.04348512      4.63583814
  H      0.46308256      1.35090114      1.47987680
  O     -4.69236790     -1.20515518      1.36642388
  H      1.79060996     -1.53597778      4.55721535
  H     -4.18752853      2.02320060      2.09974229
  O     -0.62179708      0.54926717      0.26206771
  H     -3.73582184     -4.17589273      1.34651415
  H     -3.31031488      2.27154499      0.84439438
  O      0.44425393     -1.86793040     -0.66286091
  H     -2.28621155     -4.09316532      1.85244483
  H      1.45878009     -3.82001639      2.60476316
  O     -1.83666101      0.59214744      4.38874690
  H      1.44297248     -2.36693914      0.73175034
  H      1.62830655     -5.24998711      3.18286801
  O      2.40734201     -0.33447577      3.24466944
  H      2.10317918     -1.77232398      2.01161567
  H     -6.45907379      1.35589401      3.02587724
  O     -4.02908384     -4.02252668      4.50001188
  H     -2.74216351     -2.07297234      6.40427808
  H     -5.26843058      0.66024811      3.73054730
  O     -4.46617178      0.13294653      5.16058430
  H     -3.69526427     -2.33787572      7.59131394
  H     -3.12787622     -1.57332431     -1.34019377
  O      0.89753206      1.69339386      2.27445106
  H     -5.05037725     -2.04880882      1.67022987
  H     -4.17389773     -0.98966797     -0.36957344
  O     -3.43007092      2.51898843      1.76992792
  H     -5.11807819     -0.49454045      1.86304305
  H     -2.07434181      2.96659902      2.76464258
  O      1.14945156     -4.43508476      3.29843191
  H     -1.29991311      1.03712332     -0.21802874
  H     -1.41014046      4.03760547      3.66248600
  O     -5.61042918      0.95209243      2.86573769
  H     -1.09047873     -0.01267652      0.89896308
  H     -0.56002739     -3.89477656      3.37793983
  O     -3.72219091     -0.82480268     -1.20942849
  H      0.16768245     -0.96164083     -0.47147094
  H     -1.35982643     -2.87170749      4.22358868
  O     -1.32550868      3.13607332      3.36530633
  H     -0.35873227     -2.33030081     -0.92836381
  H     -1.31750353     -0.85113794      5.30476185
  O     -1.42339751     -3.46619423      3.46182603
  H     -1.88202305      0.11560445      3.54555046
  H     -0.20992411     -1.89866667      5.63580099
  O     -1.16530438     -1.73855586      5.66230189
  H     -1.58648953      1.49934449      4.18229465
  H     -3.01636002      2.21735713     -1.72031098
  O     -2.90861743      1.72404646     -0.91188754
  H      1.85446820      0.40620582      2.94150638
  H     -3.22630188      0.81967372     -1.08896416
          69
 Energy    -248.16957330100593     
  O     -8.45296240     -1.72060000      2.05876200
  H     -8.55823204     -2.51545458      1.54232306
  H     -5.87972690      2.36861140      3.95670889
  O     -6.31775948      5.72596673      6.18692592
  H     -7.95826989     -1.08894305      1.50511508
  H     -9.07533882     -0.10610190      6.30265790
  O     -6.30895964     -1.42944279      3.96380852
  H     -6.92091076      5.69826169      5.41987783
  H    -10.10003464      0.02497489      5.14186271
  O    -10.63878156      4.28327852      4.26648274
  H     -6.33176804      6.62205977      6.51170984
  H    -13.20890051      2.45197408      4.04022562
  O    -12.65699138      0.00170393      6.76321047
  H     -5.67099698     -0.93223481      3.43903151
  H    -14.13816302      3.65322159      3.74923311
  O     -7.44831972      2.01977735      4.71002403
  H     -7.04498274     -1.62479745      3.37129282
  H    -12.12807008      0.36394072      3.64977608
  O     -5.54757064      1.57217962      7.40530291
  H    -10.42941150      3.85571759      5.11068512
  H    -13.00436944      0.38538876      4.91381687
  O    -10.24063713      2.90329108      6.66228749
  H    -11.58827445      4.15653489      4.14659971
  H     -7.26295163      0.96260354      0.49361719
  O    -12.96521348      2.85343355      7.00783942
  H    -12.87902449     -0.73575291      7.32574150
  H     -6.11193157      0.15906830      1.14964013
  O     -4.18618529      3.88320088      5.96086967
  H    -11.69319834     -0.02440697      6.63737235
  H     -8.60596712      2.98100553     -0.31852378
  O    -10.33837018     -0.08072545      3.33228167
  H     -7.51108033      2.62604934      5.45902972
  H     -8.56643096      2.59214322      1.17983969
  O     -5.00352038      2.60317893      3.61117755
  H     -7.40202811      1.13691681      5.09943398
  H     -8.59175877      2.27049788      3.38486679
  O     -9.98721209      0.14138135      6.09634400
  H     -4.89797485      2.11593164      6.95210893
  H     -9.87343305      3.09658012      3.14743471
  O    -13.32137490      3.40990655      4.17683022
  H     -6.30120984      2.16996821      7.52757116
  H     -6.85416163     -0.81744561      5.54562622
  O    -12.95105736      0.71987720      4.00983074
  H    -11.16449611      2.99313403      6.93516953
  H     -6.58092341      0.19069970      6.72439147
  O     -6.95978592      0.06937139      0.69635135
  H    -10.10030786      1.96806662      6.46025398
  H     -4.66679086      1.09828271      2.74946593
  O     -8.02602557      2.67329076      0.37373436
  H    -13.21332521      3.12298289      6.11475375
  H     -3.70969566      0.08566648      2.07951767
  O     -9.31545132      2.41288385      2.75434930
  H    -13.01088749      1.88833795      7.01653982
  H     -7.31795399      4.31639567      6.97650231
  O     -7.26836194     -0.30489544      6.25678299
  H     -3.39538372      4.28798994      6.31010852
  H     -8.57844060      3.38805305      7.14025966
  O     -4.62463522      0.23576368      2.30368061
  H     -4.89323378      4.54088796      6.05467536
  H     -6.93412090      3.91402637      1.36757747
  O     -7.61197894      3.42126166      7.17899766
  H    -10.02659370      0.79115835      3.04825581
  H     -5.87377517      3.88110816      2.48314234
  O     -6.51926487      4.45354842      2.05024822
  H     -9.76767325     -0.73019263      2.90418734
  H     -8.93091002      5.23136164      4.09929973
  O     -8.01343088      5.51919179      4.13793182
  H     -4.55146015      3.04732021      4.33837520
  H     -7.56399777      5.18737514      3.34612816
          69
 Energy    -248.16942363437403     
  O     -2.52762451      0.83612975      3.45812339
  H     -2.76737552      0.96823662      4.38558273
  H     -2.48220404     -3.01361688      7.49551867
  O     -1.70772006      3.69973295      6.31361540
  H     -2.68193522     -0.09595514      3.24911069
  H     -0.20057982     -0.76248753      7.06130383
  O      1.97389360     -0.23400613      2.39156253
  H     -1.52066167      3.90884462      5.38143775
  H     -1.42798303     -1.01205888      7.96887558
  O     -1.53434072      0.83206398     -0.72294710
  H     -2.01898522      4.50612114      6.71672885
  H     -1.71902422     -3.77809781      5.36789469
  O     -2.75740972     -1.87488837      3.00341057
  H      1.99138375      0.52800271      1.80164429
  H     -3.25256000     -3.70962243      5.52144976
  O     -1.36453407     -1.57788975      0.56878637
  H      1.29140273     -0.00740850      3.04273543
  H     -0.16715669      2.74185321      7.00931996
  O     -1.00367936      4.19558882      3.74399962
  H     -2.06954881      0.70476440     -1.50166327
  H      0.08957688      1.32872043      7.56530684
  O      1.55830569      3.21195808      3.93611022
  H     -1.46148779     -0.04290676     -0.30365548
  H     -4.12047404     -0.18097091      6.53412829
  O      1.48675401      2.30370716      1.25262427
  H     -1.97982131     -2.26785477      3.42562954
  H     -4.00219439     -1.46608725      7.37294561
  O     -0.48290544     -3.05001974      4.13398006
  H     -3.52914264     -2.21666866      3.47123173
  H     -0.79657939      0.78761374      3.91710982
  O     -4.76267864     -2.82451986      4.70254426
  H     -0.54686263     -2.01049399      0.83781814
  H      0.47216370      1.64083485      4.23032533
  O     -2.59444638     -2.43175489      8.26893485
  H     -1.97813043     -1.70781314      1.30363926
  H      1.43231898     -1.86478871      1.92742949
  O     -0.87068722     -0.31592319      7.59978525
  H     -1.24576761      3.76376093      2.91719715
  H      1.68710307     -3.27441281      1.34581904
  O     -2.43842817     -3.91660749      5.99706484
  H     -0.05237076      4.03834603      3.84036422
  H      2.11262169      2.08287571      6.55790930
  O      0.53105634      2.14904327      7.31102240
  H      1.80066719      2.92670538      3.04586512
  H      3.60956391      2.45296953      6.66081983
  O     -4.55699834     -1.02306482      6.71866149
  H      2.21130184      2.88487653      4.56724978
  H      3.15481297     -0.43323440      3.99083094
  O      0.12779589      0.74181968      4.19043510
  H      1.67503485      2.71079262      0.41073426
  H      3.34527003      0.36477841      5.29637161
  O      1.01603493     -2.72325054      1.74085842
  H      0.51914603      2.31744238      1.35119179
  H     -1.79700816      1.87967918      2.15763410
  O      2.95846900      2.07661242      6.07385649
  H      0.04049834     -3.10105439      3.32529520
  H     -1.43494157      1.95046579      0.65950868
  O      3.42436371     -0.51895436      4.91311817
  H      0.03126520     -2.51909482      4.75966499
  H     -2.14148730      0.62400051      6.64330972
  O     -1.28770924      2.38915352      1.51104312
  H     -5.65875827     -3.13685619      4.61410050
  H     -2.57735060      2.06487609      6.29004699
  O     -2.83253507      1.13802433      6.20080996
  H     -4.76758479     -2.14466027      5.40054841
  H      0.55983884     -0.55251769      5.27973810
  O      0.91818190     -1.31269429      5.76878362
  H     -2.67886053     -2.99928636      9.03028687
  H      1.87384707     -1.25186720      5.64344361
          69
 Energy    -248.16929094529337     
  O     15.35254937      9.75347676    -11.31536221
  H     15.77683485      9.92550086    -12.16931202
  H     12.35429896      7.50008103     -6.72493622
  O     18.92729441      4.11559349    -10.16203171
  H     14.66100254      9.09563144    -11.48189181
  H     11.39964837      8.03495218     -8.75060565
  O     13.78884484      5.83996365    -13.66856202
  H     19.71790307      3.61060646    -10.33251223
  H     10.28206539      7.12646599     -8.18579966
  O     13.35767103      6.02153764     -9.64956855
  H     19.15625698      4.77250435     -9.48061295
  H     17.83327014      7.73950450     -6.02131365
  O     16.35646851      7.06615656    -14.06176468
  H     14.10297707      5.25086601    -12.96203423
  H     16.87706501      8.91360685     -6.36662082
  O     16.36230000      3.09276204     -9.38899839
  H     13.24306321      5.30983905    -14.24363316
  H     13.33939054      7.24387392    -10.98440576
  O     16.54595495      9.78411045    -13.75439516
  H     12.57672326      6.25030781     -9.13262698
  H     13.40632990      7.33642073    -12.51805730
  O     19.28963450      8.84917715     -8.53761504
  H     14.12585155      6.35843022     -9.16257381
  H     17.34542649      6.58192832    -11.27562139
  O     16.03109829      4.62896887     -7.13254931
  H     16.81308088      6.56824268    -13.37038314
  H     17.92290880      5.14664986    -11.33696450
  O     17.31360623      8.05640384    -10.31121281
  H     15.47180050      6.68548962    -14.10267545
  H     14.27703905      4.92855146    -10.79538897
  O     15.60120606      6.97858325     -8.43878084
  H     15.77792319      3.35162739    -10.11004562
  H     15.66216606      4.95009301    -11.53254833
  O     13.03354943      7.63309653     -6.05409377
  H     17.25365747      3.34333349     -9.66503381
  H     14.80058105      9.80721534     -7.50814296
  O     11.22893357      7.22445438     -8.23809084
  H     16.95120654     10.17282323    -14.52404808
  H     14.33660102      8.73150969     -6.46397761
  O     17.80882911      8.66376885     -6.29678218
  H     16.51048283      8.82647080    -13.92275816
  H     14.72752532     10.52346138     -9.83707538
  O     13.34493089      7.87369082    -11.72094251
  H     18.77590039      8.85776456     -7.70865457
  H     14.31121335     11.78101887     -9.04182769
  O     17.29246346      5.74279802    -11.75806073
  H     19.98435717      9.49399017     -8.44074125
  H     17.36423290      5.32834255     -6.19740289
  O     14.81237463      4.48603738    -11.47055830
  H     15.88986312      5.47410244     -7.58848953
  H     18.26837578      5.43979347     -4.94979811
  O     15.10981887      9.18342813     -6.84103447
  H     16.12507886      3.96469860     -7.82865587
  H     13.45809461      4.20835681     -5.16717282
  O     14.28934234     10.82686717     -9.02377361
  H     16.72675235      8.74648311    -10.64732330
  H     14.60107712      4.78976784     -6.01004658
  O     18.09575221      5.83171244     -5.80213823
  H     18.02016500      8.45707348     -9.78941861
  H     12.26242041      8.96817479    -10.58619230
  O     13.85870809      5.03165916     -5.43565886
  H     16.25057627      7.28182192     -9.08510139
  H     12.63216825      9.92421220     -9.43759034
  O     11.92413784      9.35988362     -9.77009659
  H     15.41519084      7.72207419     -7.85049389
  H     19.55257333      6.92680343     -8.43671644
  O     19.50890683      5.97807053     -8.27357885
  H     13.29412684      6.74913854     -5.75895363
  H     19.11797678      5.88182697     -7.39622377
          69
 Energy    -248.16925599012825     
  O     16.93419438     10.17025501    -15.06284933
  H     17.80993855      9.86932901    -14.78535861
  H     13.32003923     11.10887754    -13.43067466
  O     15.34045495      6.97272233     -9.26240947
  H     16.49258863      9.44011559    -15.51778837
  H     12.50972279      9.86844755    -11.56099791
  O     16.15847567     12.70204968    -15.65592995
  H     15.13175400      7.91074414     -9.09721278
  H     11.43565020      9.90808934    -10.45047271
  O     13.15318885      6.89737618    -11.13700842
  H     15.37334224      6.54217420     -8.41296877
  H     16.64509348      6.60273410    -13.18030150
  O     15.57586709      8.01445893    -16.13739258
  H     16.20000435     12.84827565    -16.59715643
  H     15.44075356      6.11661214    -13.99712638
  O     19.38379280      9.36258033    -14.04499750
  H     16.45152504     11.78688271    -15.49891806
  H     16.40883974      7.15615869    -10.73221182
  O     19.97222511     11.97234177    -13.17908987
  H     12.77368550      7.76264999    -10.94575097
  H     16.42321345      8.18796757    -11.89563907
  O     19.50291589      8.09685638    -11.53731625
  H     13.85831840      6.77913453    -10.49038985
  H     18.04222074      6.61712921    -14.99690129
  O     13.67633786      6.20815234    -13.77424350
  H     15.83767850      7.42473130    -15.41386038
  H     19.09840291      7.74675184    -15.08735022
  O     14.07748967     12.67425617    -13.70646764
  H     16.12580233      7.78229767    -16.89953676
  H     15.95287014     12.79662528    -11.06999934
  O     12.98103108      8.54179244    -15.43996321
  H     19.68063694     10.26288485    -13.85491825
  H     15.50794733     14.26248775    -10.85877754
  O     13.04327708     10.20951408    -13.19230287
  H     19.45244682      8.88609807    -13.20661857
  H     17.76997371      6.66874065    -18.58665529
  O     12.32297761      9.61446549    -10.64090998
  H     19.19454924     12.54718376    -13.29385364
  H     18.06572605      7.16489108    -17.16061248
  O     16.38604046      6.32759210    -14.06843973
  H     20.73999919     12.52762870    -13.28716874
  H     16.15710900      9.89984155    -13.43102559
  O     16.88461707      7.41683122    -11.53032189
  H     20.05350073      7.36081833    -11.28360576
  H     14.76700436      9.75452777    -12.75959291
  O     18.77348931      6.95509041    -15.53166416
  H     18.57979508      7.79484355    -11.47875613
  H     17.12532329     13.64039452    -12.77856897
  O     15.69386128     13.61268780    -11.53158506
  H     13.45384135      6.39370277    -12.84906958
  H     17.26400038     13.36331042    -14.28525390
  O     17.50504538      7.31863865    -17.94134223
  H     13.27079546      6.90999030    -14.29155288
  H     16.19039017     10.68561964    -11.23439580
  O     15.71479355      9.65429957    -12.60868601
  H     14.69217918     12.74699783    -14.44672012
  H     17.42841990     11.12675841    -10.41362678
  O     17.77496517     13.51962587    -13.48137298
  H     14.53946944     13.04886341    -12.94611916
  H     19.50361361     11.26647768    -11.45315723
  O     16.46719498     11.22376702    -10.47718696
  H     13.88285684      8.38901949    -15.77025087
  H     19.35677334      9.87348814    -10.82534260
  O     19.17558557     10.80840341    -10.66964639
  H     12.39409860      8.41865621    -16.18205706
  H     15.30690331     10.22039573     -9.39565683
  O     14.67832143      9.58294115     -9.03299963
  H     12.93778333      9.68671912    -13.99684569
  H     13.85501849      9.69145835     -9.52649500
          69
 Energy    -248.16924792819253     
  O     15.13819692     10.84901611    -15.30237967
  H     15.61592887     10.59748526    -16.10754640
  H     19.59205433      5.42482947    -15.59233542
  O     14.22851079      4.86908821    -16.69240359
  H     14.35851147     10.28535176    -15.26276883
  H     19.38789009      7.45847990    -16.55739226
  O     17.90909827      6.36246358    -11.66598796
  H     14.95846049      4.34930773    -17.04810011
  H     17.92974301      7.74714927    -16.19511612
  O     16.98122676      6.42233115    -18.55875561
  H     14.21604735      4.72274073    -15.73613857
  H     15.91346224      7.14167018    -15.75506608
  O     13.35586303      6.47243464    -10.42229385
  H     18.78306147      6.59041740    -12.00517766
  H     16.54566238      7.44045674    -14.35233937
  O     14.33556356      4.74112815    -13.89148781
  H     17.31122449      7.05832274    -11.98126880
  H     13.15484664      8.34173891    -14.44812055
  O     16.21155287      8.21140219    -12.73563807
  H     16.15171668      6.83821061    -18.29770582
  H     12.09359719      9.05197290    -15.31879372
  O     17.91737326      4.50736963    -15.45587486
  H     17.67772582      6.94855119    -18.14939445
  H     16.07501186      2.04607026    -10.57448193
  O     13.10412987      3.81935676    -11.60989105
  H     12.93637076      6.76603894     -9.61793917
  H     16.17060265      3.19485965    -11.60526662
  O     19.24012208      9.42782281    -14.26386464
  H     14.26614067      6.21796539    -10.18595031
  H     14.39154263      6.55626550    -17.04140329
  O     16.64702266      3.80724912    -17.85459822
  H     15.24890157      4.56718532    -13.63149981
  H     14.01456157      7.99653742    -16.58350982
  O     20.25700182      6.12572232    -15.61771163
  H     13.77846889      4.32983064    -13.21413230
  H     21.10227088      7.50853939    -12.56381858
  O     18.64989985      8.04749367    -16.77418251
  H     16.38180225      9.15619395    -12.83867138
  H     19.91128575      8.08320009    -13.36354256
  O     16.67858414      6.98069691    -15.18981613
  H     15.26131308      8.04610673    -12.77615238
  H     17.30782139      4.86281266    -12.48470181
  O     13.02937183      8.87680924    -15.24920662
  H     17.55615579      4.11402205    -16.25923575
  H     17.36574721      4.04156320    -13.80083272
  O     15.69504090      2.88723672    -10.81401753
  H     17.47753137      5.36684987    -15.35314036
  H     15.83150041      4.62191190    -10.01386300
  O     14.64844846      7.49230236    -17.10852272
  H     13.88825899      3.38066729    -11.25375054
  H     16.65054786      5.89138570    -10.31302746
  O     20.25651564      7.27668123    -12.94019961
  H     13.03460958      4.65633059    -11.13534074
  H     13.86192318      6.43733767    -13.45370784
  O     16.93603108      4.09120082    -12.93657775
  H     19.09200774      9.18368914    -15.18396578
  H     13.38911366      7.11852871    -12.14880224
  O     15.85960521      5.57468601     -9.85896852
  H     18.49030629      9.96940152    -13.99072497
  H     16.96255809     11.67474885    -12.87505879
  O     13.60443283      7.29178081    -13.07480152
  H     16.81824177      4.70193355    -18.19943785
  H     16.27323365     10.91756090    -14.03886625
  O     16.92403314     10.83174879    -13.31781588
  H     16.76625834      3.20383417    -18.58307525
  H     15.80171709      9.01700720    -17.53371284
  O     16.42851034      9.74917735    -17.48097248
  H     20.35579698      6.41668998    -14.70351053
  H     17.29872466      9.34231069    -17.39617523
          69
 Energy    -248.16919204205954     
  O     18.26783684     12.65265930    -18.63823441
  H     18.20611073     11.94251755    -19.27194413
  H     19.56175350     14.76332471    -16.91779153
  O     18.51255951     18.12600542    -14.45068379
  H     18.12526642     12.25716210    -17.76145178
  H     14.66293515     12.32526236    -11.66943082
  O     19.69455386     11.38769352    -13.92273067
  H     17.75129535     17.53508523    -14.53808535
  H     16.16467631     12.32879159    -12.04353799
  O     16.43950660     15.35812261    -12.03255343
  H     18.41374347     18.62627285    -13.63135058
  H     21.32754656     16.66616389    -14.83553284
  O     14.63364743     15.00390978    -16.29955088
  H     20.06734294     12.26882342    -13.75168200
  H     20.04667858     17.07200567    -14.08862111
  O     17.79293192     11.76056153    -11.78066794
  H     20.42600962     10.77489196    -13.89774958
  H     18.02681608     14.68069556    -11.44031892
  O     15.45760888     12.57493831    -15.04375223
  H     15.92943260     14.53863762    -12.03798924
  H     19.19664263     14.86476795    -10.43735545
  O     21.60217570     16.81168348    -16.61504446
  H     16.45994805     15.67918589    -12.94487953
  H     16.96517451     11.97610680    -15.68674439
  O     17.30653785     17.41514791    -10.30471193
  H     13.77474454     15.23419410    -16.64181424
  H     18.43707433     11.53172662    -15.34503286
  O     20.41634373     13.99505707    -13.33151475
  H     15.23482053     14.94384728    -17.06655437
  H     19.62424392     19.77394458    -16.98146659
  O     16.38294190     14.84934559    -18.31787160
  H     18.37799779     11.48204137    -12.49372417
  H     19.16087200     18.64616115    -16.03206912
  O     20.01762837     14.75277882    -17.77353648
  H     18.21793931     12.53285780    -11.38090234
  H     20.56380653     17.34743701    -10.78863213
  O     15.31347891     12.77586043    -12.20168862
  H     15.32930345     12.65946696    -14.09187225
  H     21.01080235     17.47457399    -12.27360993
  O     20.89829492     16.63091248    -13.96789985
  H     15.09692172     13.37469642    -15.44616281
  H     18.61658858     20.32129852    -11.72476563
  O     18.83493882     14.26691419    -11.10208106
  H     21.25329161     16.06313136    -17.11597219
  H     19.38410563     18.97551713    -11.76473623
  O     17.85458205     11.83307555    -16.05190211
  H     21.02236870     17.55486241    -16.82517108
  H     18.77712694     16.75203708     -9.63073243
  O     19.55123360     18.82610937    -16.90338219
  H     16.86118910     16.76498938    -10.86477283
  H     19.76477624     16.44214701     -8.47705828
  O     20.78195477     17.98095485    -11.48282502
  H     17.56576352     18.14486466    -10.88086139
  H     18.25967744     13.58977770    -15.62703358
  O     18.52945709     19.40211884    -11.96261350
  H     19.91526299     14.07823875    -12.50635245
  H     19.22359184     14.33833668    -14.66413075
  O     19.63437087     16.33951875     -9.41579057
  H     20.75693047     14.87792506    -13.53484174
  H     18.95359647     16.17025443    -18.41318428
  O     18.59412048     14.46317524    -15.38568712
  H     16.94303562     15.63273518    -18.42890980
  H     18.60146608     17.61725712    -18.06459464
  O     18.27441388     16.84665032    -18.54070200
  H     16.94252076     14.09121740    -18.51395896
  H     15.81908692     15.92515763    -15.19891909
  O     16.59436897     16.16624653    -14.67904478
  H     19.62645532     14.01103320    -18.24851462
  H     17.30532567     15.57197729    -14.97076786
          69
 Energy    -248.16910108221910     
  O      1.75813737     -0.62085649      3.46911481
  H      2.62139555     -0.62537001      3.87468100
  H     -4.16056555      3.65939760      1.05616026
  O     -1.65677620      0.47319541     -3.55601289
  H      1.22461578     -1.28704821      3.94005241
  H     -1.43872916     -1.72214612      7.83091525
  O      0.19352924     -2.40955852      4.77094670
  H     -1.74199665     -0.48493302     -3.47912384
  H     -2.20308903     -1.57848289      6.49399695
  O     -2.51736785      1.17669953     -0.95813746
  H     -2.09933891      0.83544880     -2.77617068
  H     -1.71725185      3.01001844      1.54111278
  O     -1.62237851     -2.33118000     -2.85254705
  H     -0.27125511     -2.08635747      5.55412626
  H     -0.36261991      2.50456554      1.00202150
  O      0.86667487     -1.68818014     -1.96424845
  H     -0.40435764     -3.02048822      4.32686798
  H     -2.59196204     -0.84919389      4.08300159
  O     -4.32763223     -3.31383854      3.44013101
  H     -1.57789852      1.22214104     -0.72636687
  H     -1.52791760      0.18478608      3.58027010
  O     -0.23287563      1.37516601      3.96059459
  H     -2.96644136      1.82972646     -0.40876958
  H     -2.80838367     -1.87010372     -1.51440126
  O      0.97621538      0.96462791     -3.04994281
  H     -1.56962360     -3.07981396     -3.44058622
  H     -3.06970699     -0.51448511     -0.80562310
  O     -4.64351920      0.87638254      5.33227743
  H     -0.72136101     -2.17439324     -2.51656434
  H      0.14448863     -1.45525970      0.94756976
  O     -3.60166273     -1.64393372      5.48531667
  H      1.06680800     -0.84070291     -2.38142936
  H      1.39224329     -0.88362954      1.65763431
  O     -3.58704403      2.90209888      0.97227612
  H      1.05465709     -1.56935740     -1.02442490
  H     -1.32491738      1.53295644      5.47238303
  O     -1.34724065     -1.41648797      6.93202409
  H     -3.44314324     -3.67071586      3.29115361
  H     -1.70462071      0.52186035      6.55623705
  O     -0.78707277      2.90841010      1.77105714
  H     -4.57770224     -2.82822726      2.64565306
  H      0.57539843      1.37979883     -1.25528231
  O     -2.20675584     -0.44217470      3.29709596
  H      0.54426403      0.83365668      3.78479640
  H      0.51162394      0.57549426      0.07012396
  O     -3.25888485     -1.46479692     -0.76256534
  H     -0.35739245      1.98783890      3.21884436
  H     -1.46053315     -3.47302728      2.38544412
  O      0.99759944     -1.02352944      0.78856445
  H      0.05284713      0.85444017     -3.33958908
  H     -1.21969032     -4.93466095      2.83061591
  O     -1.98780801      1.34931609      6.15149599
  H      1.43129638      1.43371124     -3.74360597
  H     -2.08292090     -1.94358182      0.55039705
  O      0.19686539      1.37895285     -0.36810171
  H     -3.77040806      1.20210670      5.60356382
  H     -1.74235895     -1.48035226      2.00070862
  O     -1.54713424     -4.09029381      3.13213309
  H     -4.72717599      1.03880051      4.38722006
  H     -6.05757149     -2.01363102      0.78409380
  O     -1.48176387     -2.09006181      1.28933561
  H     -4.13334147     -0.83335541      5.50403852
  H     -4.59228985     -1.68388975      0.42450902
  O     -5.22778040     -1.72418808      1.15751929
  H     -3.99338225     -2.26851684      4.86010363
  H     -3.63915879      0.40614394      2.70466559
  O     -4.48799849      0.75656847      2.39033469
  H     -3.97930327      2.19055621      1.50714368
  H     -4.93705416      0.00097657      1.99550921
          69
 Energy    -248.16900925031388     
  O     -2.92784973      3.38432983      3.84451803
  H     -2.78199339      2.42823950      3.89618951
  H     -4.81261991     -3.83346033      3.05234386
  O      0.29162161      4.79136665      1.34085241
  H     -3.88823422      3.49779519      3.88119354
  H     -3.22785124      1.68133366      0.36300375
  O     -0.51809700     -0.45136120      2.45679350
  H      0.91233555      5.44704485      1.03495333
  H     -2.59469202      3.08209249      0.20604662
  O     -4.90535544     -1.16879159     -1.65416327
  H      0.64089253      3.92447798      1.06678475
  H     -5.92100701      3.74661078      0.68282544
  O     -2.22568407     -1.77446743     -1.14000934
  H     -0.55379765     -0.12431909      1.54602192
  H     -5.99029754      2.44941001     -0.15486269
  O     -4.33663041      0.88323384      1.51714312
  H      0.17589609      0.05376514      2.89872891
  H      0.70687348      1.64107698      0.32876927
  O     -5.69116953      3.33313834      3.63866644
  H     -5.50627155     -1.53848752     -2.29703371
  H      1.40067542      1.92788853      1.67696472
  O     -7.65007349      0.57965507      1.78369925
  H     -5.32989377     -1.27321065     -0.78380420
  H     -1.55157088      4.73398050      1.28390830
  O     -2.75315936      0.63620050      3.72361231
  H     -1.94546255     -2.41166953     -1.79391219
  H     -2.63453968      4.12453649      2.22019094
  O     -5.13744004      1.75077996     -1.60049912
  H     -3.13688958     -1.53037559     -1.36535827
  H     -4.15143326      5.13787737      0.96330495
  O     -5.95026965     -1.33164304      0.83451743
  H     -4.98240364      1.59622370      1.42182322
  H     -5.28424698      6.12054783      1.30155253
  O     -4.75637227     -2.91401701      2.80614089
  H     -4.80416731      0.06715378      1.30573400
  H     -4.91326176     -1.56435610      4.14308394
  O     -2.70579336      2.23333083     -0.24056415
  H     -5.98953370      3.37750376      2.72610223
  H     -4.11153985     -0.31222599      4.54427799
  O     -6.22359004      2.82686075      0.70792177
  H     -6.13688132      2.56371606      4.01717706
  H      0.05732215      4.17360536      3.16073468
  O      1.23272106      2.29848932      0.80138461
  H     -7.52463292      0.69567849      2.73499920
  H     -1.06708795      3.64937179      4.07648581
  O     -2.49017816      4.51864047      1.34628131
  H     -7.38572869      1.41466812      1.37798252
  H      0.79540005      2.16281645      3.76065465
  O     -5.09544855      5.31495264      0.82590144
  H     -1.93902811      0.24198753      3.38910339
  H      2.03472149      1.32208175      4.14660894
  O     -4.93836085     -0.78601848      4.71134168
  H     -3.34238292      0.72342285      2.95595636
  H     -6.26860967      0.31989939      4.62576523
  O     -0.10897288      3.65012990      3.95425514
  H     -4.24525578      2.03238397     -1.35412240
  H     -7.53724215      0.89690478      5.29655210
  O      1.31618397      1.37491249      3.52232115
  H     -5.08109018      0.79536643     -1.70659728
  H     -1.67671679     -1.87387410      2.05591038
  O     -6.99159438      0.96318945      4.51736761
  H     -5.67797989     -1.94025905      1.53246949
  H     -2.31056260     -2.28630388      0.71390325
  O     -2.35471302     -2.43982968      1.66442962
  H     -6.65574467     -0.75540354      1.16960030
  H     -1.05775324     -0.33835825     -0.62115706
  O     -0.65927138      0.43368855     -0.20510091
  H     -3.86652058     -2.77643671      2.43248174
  H     -1.32257624      1.13831060     -0.27730458
          69
 Energy    -248.16884786040202     
  O     12.37159038      4.19725308    -13.81591872
  H     12.09822311      4.78759776    -13.09085509
  H     19.45134674      8.38863537    -12.82736792
  O     17.05183044      7.06884567    -11.89477382
  H     11.59275935      3.72182225    -14.09175705
  H     15.14855800     11.97644089    -17.12602862
  O     16.07049958     11.26367039    -12.20138282
  H     16.66430949      7.70692680    -12.51632986
  H     14.70579068     11.38338351    -15.76943428
  O     17.24167363      9.39408661    -16.02791529
  H     17.94080396      7.39370893    -11.71269349
  H     15.09451140      8.68950052    -13.86508330
  O     14.63884804      3.42993127    -12.20424088
  H     16.06543923     10.41579153    -12.67233815
  H     16.50503421      9.04497860    -14.41214115
  O     15.01094221      7.27347864    -10.05746020
  H     16.39757627     11.92395149    -12.82767641
  H     12.36654065      5.38606262    -10.97465314
  O     13.36786569     10.91774789    -14.77079543
  H     16.86481655      8.59397037    -16.43032470
  H     12.00639689      6.71718097    -11.65026509
  O     18.40942145      5.51481734    -15.40260684
  H     16.67463833     10.14100699    -16.25007324
  H     17.25896702     10.68231517    -10.90152128
  O     16.11848014      9.15093936     -8.42662292
  H     13.85804830      3.52697065    -12.76316949
  H     18.43821888      9.68918131    -10.80632382
  O     19.27553609      8.12176225    -14.55139139
  H     14.40212535      3.82348386    -11.35511382
  H     13.76830172      4.53803201     -8.93948980
  O     16.56684668      4.88761582    -13.48722428
  H     15.74728328      7.14422136    -10.67203831
  H     14.25110606      5.69169575     -9.84797088
  O     19.49130487      8.44428963    -11.85579537
  H     15.31613303      7.90774191     -9.39256354
  H     16.46495296     12.52172397    -15.01493335
  O     15.48322271     11.61967821    -16.30734309
  H     13.27153219     11.16294625    -13.84444479
  H     17.82588712     13.06969473    -14.56178657
  O     15.99953637      8.89919002    -13.60195631
  H     13.26158868      9.95524581    -14.78686668
  H     14.32296934     11.27237646    -11.88380359
  O     11.81924675      5.77037464    -11.67184160
  H     18.90419079      4.75484779    -15.69866827
  H     13.02391927     11.89237995    -11.32246605
  O     17.82916967     10.21490905    -10.27589503
  H     17.79157226      5.19709164    -14.72190751
  H     15.13691296      5.45901269    -14.53671321
  O     13.79452771      4.83297695     -9.84605515
  H     16.76537360      9.54286988     -9.03868911
  H     13.64593570      5.14121031    -14.78700265
  O     16.93826159     12.89437739    -14.25626917
  H     16.27366042      9.56200252     -7.58120015
  H     12.98667190      9.33492524    -11.60479746
  O     13.35529508     11.17822300    -11.86130211
  H     18.72930379      8.68600505    -15.11388167
  H     13.65918281      8.04887848    -11.04689810
  O     14.37237070      5.70961724    -15.07369357
  H     19.08054075      7.21745407    -14.82714891
  H     13.67250734      7.31223134    -14.63042866
  O     12.93577609      8.37126841    -11.60307182
  H     15.98813835      4.26376068    -13.02568373
  H     13.15271180      8.13464854    -13.40138806
  O     13.41166579      8.19342296    -14.33227069
  H     16.76963073      5.60356449    -12.86761166
  H     15.54314386      6.53218627    -16.38184760
  O     16.32449315      6.92767454    -16.78678858
  H     20.39860689      8.27963315    -11.61266055
  H     17.07088408      6.40560597    -16.46530966
          69
 Ord_Energy   -248.168655    
 O   -7.59525871       3.37569332       8.06162262    
 H   -7.20392179       2.82820129       8.75398064    
 H   -7.44478226       4.30390453       8.28532124    
 O   -6.25312185       1.54422474       9.72465992    
 H   -6.09752846      0.939536095       8.97772312    
 H   -6.43625164       1.00112009       10.4868507    
 O   -4.06620932       5.03875351       5.75106859    
 H   -4.43132019       4.19306326       6.05437565    
 H   -3.61623526       4.84377050       4.92224073    
 O   -11.2422018       1.69764268       4.50788832    
 H   -12.0672207       1.96374679       4.90528488    
 H   -10.5332804       2.02995682       5.08496094    
 O   -2.26372647       1.72193813       4.60479879    
 H   -2.18776512       1.67360151       5.56631136    
 H   -2.68467665      0.901973903       4.32043219    
 O   -6.19404459      0.236919925       3.19252753    
 H   -6.85567093      0.208907157       2.48978448    
 H   -6.68662357      0.164309829       4.02471113    
 O   -8.05024052       4.29391432       3.88096094    
 H   -8.68246269       3.93826008       3.24004507    
 H   -7.19604588       3.89525437       3.65474653    
 O   -9.02245522       2.59546089       5.85680342    
 H   -8.67081451       2.87206697       6.71366358    
 H   -8.69123459       3.22136736       5.19601917    
 O   -3.63731337       2.70878291       9.14603615    
 H   -4.47307825       2.34800696       9.45656204    
 H   -3.78947067       3.65478134       9.00406933    
 O   -6.72933960       6.06299067       5.67774010    
 H   -5.80492878       5.80830574       5.55737638    
 H   -7.24741697       5.57925701       5.02297544    
 O   -2.04590893       1.36665487       7.40490389    
 H   -2.63562274       1.85342872       8.00688744    
 H   -1.18103194       1.38759375       7.80749416    
 O   -3.41723680      -1.03328824       6.70479107    
 H   -3.45959520      -1.00421035       5.74131918    
 H   -2.86609864     -0.285321981       6.97410059    
 O   -9.73259735       2.78080869       2.29363656    
 H   -10.3788490       2.43446445       2.92122650    
 H   -9.26638317       2.01031494       1.94942951    
 O   -3.07197237       3.92488074       3.32606578    
 H   -2.70114422       3.14276028       3.77694249    
 H   -2.43346334       4.20291948       2.67609811    
 O   -9.81484795     -0.639522195       3.74230027    
 H   -10.4578705       3.70818190E-02   3.99075556    
 H   -9.12601948     -0.597842216       4.42001295    
 O   -7.73770094      0.114061423       5.48871422    
 H   -7.12222576      -8.32404010E-03   6.22302198    
 H   -8.16870594      0.969916582       5.62203503    
 O   -5.50065422       2.69610667       6.26029301    
 H   -6.24780035       3.05663180       6.75661564    
 H   -5.68541670       2.77425742       5.31482553    
 O   -7.01387167       6.07432365       8.35380840    
 H   -6.96447706       6.15638685       7.38273287    
 H   -7.41335487       6.87597418       8.67922306    
 O   -5.70176172       2.96555758       3.47784877    
 H   -4.80675602       3.27663875       3.29296255    
 H   -5.76862574       2.02993345       3.24883366    
 O   -4.20987177       5.36205149       8.54656410    
 H   -5.12205410       5.66484976       8.61840343    
 H   -3.98998523       5.43504667       7.60824108    
 O   -5.73753214      0.209207207       7.40602064    
 H   -5.53961134       1.06312048       6.98776436    
 H   -4.97374201     -0.361724764       7.24518251    
 O   -8.46916199      0.241391703       1.55218744    
 H   -8.99342632     -0.149599627       2.27503729    
 H   -8.74527454     -0.190309525      0.747809947    
 O   -3.65438414     -0.651211023       3.84873533    
 H   -4.54820919     -0.386656255       3.57900548    
 H   -3.36885905      -1.31611502       3.22604036    
          69
 Energy    -248.16862229002027     
  O     13.17443277     12.30789771    -13.97134704
  H     14.09507348     12.56912948    -13.86938134
  H     13.06778448      7.39263161    -16.84871572
  O     14.62767216      6.85905980    -14.21844396
  H     13.09994743     11.89108096    -14.84263113
  H     17.91696958     11.00154667    -15.52240315
  O     17.65436113      8.27878072    -11.59446479
  H     14.79549178      7.79123598    -14.43156516
  H     16.76514234     11.93196552    -15.02766965
  O     19.49671814     10.14729512    -15.13881672
  H     14.03301677      6.84453924    -13.45874844
  H     15.85734817      9.93560536    -15.17842203
  O     11.53860310      8.45661747    -16.41095921
  H     17.53551846      7.60006542    -12.27385524
  H     14.32019195      9.87812033    -15.19155045
  O     15.72419308      7.72059815     -9.70884003
  H     17.08366598      8.04829380    -10.84711142
  H     12.22872355     11.43005136    -12.81631122
  O     13.02179636      6.97162987    -11.95195996
  H     19.63313699     10.01279196    -14.18541870
  H     10.97838109     11.42773110    -11.90693871
  O     15.89844060     10.32223243    -12.29149005
  H     20.35474935     10.32290749    -15.51725311
  H     17.15438059      3.49939190    -12.15360299
  O     16.20519709      7.92885589    -17.90759698
  H     11.44944880      8.42180661    -15.44111063
  H     16.99032592      4.98397199    -12.51144260
  O     14.57990384      5.17850471    -10.41217248
  H     10.67157823      8.29038057    -16.77124883
  H     11.40699395      9.30672477    -13.22961256
  O     18.17241169      7.66636450    -15.81784031
  H     15.35940781      6.83691157     -9.84034753
  H     11.80020357      7.82203886    -13.13200870
  O     13.89606449      6.90161860    -16.90044786
  H     14.99309208      8.33134754     -9.86348121
  H     19.09230088      9.19150005    -12.08797213
  O     17.02691564     11.31699620    -15.72444353
  H     13.26252737      7.81233003    -11.53507344
  H     20.45455690      9.82218320    -11.76291890
  O     15.10009001      9.50393040    -14.76211476
  H     13.43273282      6.27702351    -11.42334820
  H     16.28756944      6.46008221    -13.79395854
  O     11.70471536     10.88492916    -12.20206958
  H     15.53684149     10.00504375    -13.13482673
  H     17.69078929      6.74548254    -14.36537502
  O     16.70084448      4.29594025    -11.89035936
  H     16.57824442      9.68919324    -12.02798499
  H     15.99775735     11.05114382    -17.27993073
  O     11.37026900      8.46825205    -13.70561476
  H     15.37393478      7.54891397    -17.57189052
  H     15.63695153      9.74369631    -17.99567207
  O     19.81387771      9.72298117    -12.46231691
  H     16.40317984      7.46526848    -18.71802877
  H     12.95327836      9.96049075    -11.14688410
  O     17.23337293      6.38341957    -13.59330819
  H     15.32087820      4.82137385    -10.93133528
  H     14.47858503      9.81674630    -11.28413678
  O     15.35648640     10.66173071    -17.89014529
  H     14.33078077      4.50154726     -9.78803303
  H     16.34617512     13.48615612    -12.95316300
  O     13.70676536      9.44569098    -10.83183731
  H     17.53577257      7.80149780    -16.53077279
  H     16.03673383     11.97051349    -12.93737652
  O     16.02112254     12.76966111    -13.49249528
  H     18.63327415      8.50172847    -15.68548166
  H     12.52198253     10.04123200    -16.46119476
  O     13.12448975     10.77332899    -16.28267928
  H     14.11866147      6.67974135    -15.98530790
  H     13.81148555     10.77906106    -16.96740592
          69
 Energy    -248.16848173159553     
  O     11.71966356     12.09313389    -12.25711011
  H     11.31456716     11.22690063    -12.38671273
  H     20.93399514      7.75663453    -15.75795900
  O     19.83329622      8.49366981    -11.43949955
  H     12.08678500     12.07513028    -11.36440639
  H     17.62038622     12.69708235    -14.87935394
  O     17.09168923     10.88391355    -11.03074764
  H     19.08562012      8.41297376    -10.83520586
  H     18.35330028     12.36526885    -13.56272342
  O     12.42231748      7.74026805    -14.17234745
  H     19.81573578      7.68624163    -11.96713951
  H     13.50659102      8.05538883    -17.08327667
  O     16.71647426      6.80525572    -12.48124458
  H     17.82289726     10.91376654    -11.66319298
  H     13.25401169      8.26323454    -15.57170174
  O     13.87147637      6.67719435    -12.01832076
  H     17.11658968     10.01160448    -10.61607777
  H     15.75969557     10.57820233    -12.22519164
  O     19.40253848      6.15097762    -13.07769601
  H     12.92489030      7.25731357    -13.50050116
  H     14.64168966     11.04890225    -13.21764806
  O     13.82378819     12.48253141    -13.96762284
  H     11.80822022      8.30207258    -13.68771805
  H     14.30549714     10.39097422    -16.36093633
  O     18.32503081      9.58488036    -15.39913921
  H     17.59361653      6.45407774    -12.67842530
  H     14.26578318     11.73327506    -15.58023486
  O     17.24201040      8.22843440    -10.18104927
  H     16.45221918      7.32251883    -13.25712140
  H     16.46195381     13.87565978    -13.25205384
  O     17.27376260     11.89799227    -16.56043809
  H     14.82514656      6.57577684    -12.11908268
  H     15.79425533     15.24900304    -13.00371157
  O     20.11955810      7.50742028    -15.32835385
  H     13.73778089      7.45101483    -11.45556811
  H     15.41406738     13.50197135    -11.19049291
  O     17.77670459     13.01532904    -13.98137235
  H     19.66580335      6.57922429    -13.91070008
  H     16.03130723     12.27434842    -10.49725259
  O     13.81191022      8.54087461    -16.32204493
  H     19.86541987      5.31785735    -13.03983406
  H     13.84499183     12.22541317     -9.92408620
  O     15.05309323     10.27528540    -12.81078145
  H     14.36851193     13.20355842    -13.62831956
  H     12.72344649     12.14286572     -8.86411173
  O     14.66579027     11.28470012    -16.33856208
  H     13.01989969     12.43270772    -13.42876544
  H     18.87082887     10.31931196    -13.78358692
  O     15.67183261     14.31109639    -12.88369561
  H     18.06187947     10.36397126    -15.90384007
  H     19.51692792     10.01087556    -12.41508366
  O     15.33367951     12.93931362    -10.41134705
  H     17.50567004      9.13900270    -15.13482417
  H     10.24776747      8.90434723    -11.81897958
  O     13.00994751     11.77709769     -9.69635184
  H     16.84132758      7.77861575     -9.44159210
  H     11.75553970      9.23420142    -11.75019777
  O     19.10772221     10.71772413    -12.93545265
  H     17.00126712      7.72551162    -10.97729444
  H     13.93067617      9.54954480    -11.61262809
  O     10.95669896      9.32988348    -12.29607558
  H     16.32529751     11.67695939    -16.51118251
  H     13.23560790     10.02028451    -10.32168598
  O     13.35172890      9.25084298    -10.89320470
  H     17.40593440     12.35923056    -17.38400122
  H     15.63845223      9.10337303    -13.95921869
  O     15.98303325      8.43488873    -14.57394722
  H     19.51879388      8.26291440    -15.43471836
  H     15.31737028      8.33547463    -15.26423286
          69
 Energy    -248.16826638549651     
  O     13.26059287     11.61119294     -8.25025234
  H     12.91932125     11.68785361     -7.36248180
  H     11.76054778     14.02355111    -12.86272638
  O     10.92272344     11.51733171    -14.91042663
  H     12.53552769     11.85365767     -8.85009004
  H     13.73517190     14.45066184    -11.26223512
  O     13.41404006      9.09430598     -9.67234009
  H     11.01171205     12.33933975    -14.40505759
  H     13.55305355     13.13484098    -12.04986523
  O     18.38801112     12.24806898    -12.95864966
  H     10.99151095     11.76104011    -15.84182154
  H     11.97051458     14.50743010    -15.00045375
  O     11.41862657     12.16138627    -10.20389411
  H     12.67701685      9.19952516    -10.28707975
  H     12.14205826     14.00990245    -16.44282667
  O     11.47301035      9.74274972    -11.64884282
  H     13.41681884      9.88116772     -9.11525424
  H     15.19567434     11.56051276    -12.37676347
  O     12.97016983      9.83507826    -13.98901444
  H     17.81024801     11.76578554    -12.33947703
  H     13.94352626     11.12282450    -13.20535647
  O     15.37510143     15.14433703    -10.72301546
  H     19.27941781     12.15912483    -12.63289190
  H     16.44734577     12.20035616    -15.37715890
  O      9.14348829     10.30055625    -13.17264779
  H     11.97008135     12.81332488    -10.66291388
  H     17.57825884     11.60201235    -14.53343355
  O     14.99500575     13.44278856    -15.10783811
  H     11.46268829     11.33904060    -10.71312063
  H     11.21680956     12.49284260    -18.39591721
  O     14.01414740     11.61631617    -17.13460989
  H     10.58605784      9.78129141    -12.02634645
  H     12.38963458     12.09717545    -17.46406213
  O     11.03470538     13.91793913    -13.49397704
  H     12.07088330      9.65567195    -12.40530993
  H     14.95872265      8.64069725    -10.38594684
  O     13.06653141     13.86060753    -11.62642278
  H     13.66776842      9.59106022    -14.61020566
  H     16.10568960      7.62160936    -10.48485815
  O     12.56516447     14.54506166    -15.76226193
  H     12.31741898     10.37890380    -14.45384200
  H     15.58978204      8.62211421    -15.99253616
  O     14.43914018     11.88511759    -12.88206806
  H     15.61929131     16.02090239    -10.43855758
  H     15.87117040     10.06337082    -15.50929230
  O     16.98147928     11.40388476    -15.26518251
  H     15.87255136     14.96801186    -11.54169329
  H     16.34830586     11.55520645    -10.57818941
  O     11.47803819     12.44313412    -17.48090420
  H      9.70116545     10.67906914    -13.87326171
  H     16.41116001     10.09851317    -11.16990735
  O     15.82279088      8.47515819    -10.80096189
  H      8.44788136      9.81350656    -13.60709660
  H      9.75469342     12.67673108    -11.08744764
  O     15.16202001      9.42816762    -15.71597304
  H     14.78655214     12.89679255    -14.33278858
  H      8.94119202     11.98732894    -12.19312498
  O     16.60377113     11.02881434    -11.35207538
  H     14.20150406     13.95520415    -15.32516718
  H     16.15336837     14.38109287    -13.82244073
  O      9.12289497     12.84828300    -11.79789866
  H     14.38328785     12.28671844    -16.54627388
  H     17.35133568     13.84956590    -13.01389382
  O     16.68689673     14.54967664    -13.03736686
  H     14.37054249     10.77710299    -16.82234999
  H     15.56176543     13.51541375     -9.70091561
  O     15.70430620     12.62671245     -9.35399135
  H     10.25174582     13.70479448    -12.96704102
  H     14.88124356     12.34479824     -8.93648926
          69
 Energy    -248.16816209702421     
  O     -1.17531753      3.68150643      2.58643313
  H     -0.55947675      2.97796840      2.82626946
  H     -0.67656446      8.32851348      0.58520816
  O     -2.83087396      5.68202941     -0.62411879
  H     -1.82169392      3.33971719      1.95361138
  H      0.48361874      1.16747702      0.06531439
  O      4.04944355      5.72097233      1.91172943
  H     -2.78585466      6.38471660      0.03559741
  H      1.83854120      1.89161513      0.05513483
  O      1.73332228      7.24837733      2.23541916
  H     -2.00489413      5.73705288     -1.12715339
  H     -0.08958497      4.10082595     -2.46141150
  O     -0.29877490      5.71350424     -1.67030071
  H      4.98002117      5.83418883      2.08675903
  H     -0.29341371      2.59661790     -2.10292715
  O      2.23156902      3.49566501     -0.88563646
  H      3.94149233      5.78488951      0.94576821
  H      1.10749716      8.13640348     -1.07615843
  O      0.58281097      5.00833059      0.83748417
  H      2.61626859      6.86382291      2.15689036
  H      1.77839327      8.48792349     -2.42670072
  O     -2.35870572      7.68052503      1.30624433
  H      1.45121702      7.11091917      3.14843296
  H     -3.91852258      0.90757547     -1.94687753
  O     -1.09467942      1.46188849     -0.86851749
  H     -0.03753325      5.48616531     -0.76317757
  H     -3.59073136     -0.37018159     -2.75332181
  O     -1.54312849      6.27525505      3.47816305
  H      0.29325912      6.42582530     -1.93780762
  H      2.96486675      4.60524042      3.13618245
  O     -2.88171149      3.12606304      0.48550419
  H      1.66829956      3.35479338     -1.65808166
  H      1.96798792      3.48551095      3.55157789
  O      0.22249777      8.58145718      0.34838051
  H      1.69362905      3.97577653     -0.23637697
  H     -3.97495274      4.86521464     -1.90294994
  O      1.31871403      1.24315296      0.54669032
  H      0.94482995      5.77029722      1.30480632
  H     -3.76103833      3.86289459     -3.06912300
  O      0.10300037      3.19599593     -2.75219661
  H     -0.01827711      4.56172382      1.44559896
  H     -2.69289349      1.96832977     -3.60058371
  O      1.59671637      7.76436659     -1.83307799
  H     -2.97768064      8.34596009      1.59690699
  H     -1.56396166      3.00120259     -3.73045276
  O     -3.21429784      0.44378895     -2.42787946
  H     -2.07083811      7.20306104      2.10481609
  H      1.04599780      1.15680659      3.67239861
  O      2.38386240      4.30470635      3.84501051
  H     -1.70223416      0.94521462     -1.41132595
  H      1.12365297      1.63872963      2.20435349
  O     -4.42474654      4.21464353     -2.45603144
  H     -1.64848013      2.06788785     -0.35685614
  H      1.24698060      6.62373114      5.69225799
  O     -2.49619725      2.85229076     -3.93064658
  H     -1.52377128      5.33486588      3.24948633
  H      1.45595329      5.60822699      4.54279425
  O      0.94853781      1.92671639      3.11843046
  H     -0.76827598      6.41315209      4.03447128
  H     -5.96748752      1.99929895     -0.80860207
  O      0.97214068      6.41303745      4.80432253
  H     -2.86894878      4.02440869      0.12139607
  H     -4.90966406      2.83827210     -1.57247392
  O     -5.04246834      2.03336916     -1.03481225
  H     -3.67521053      2.70152721      0.14117859
  H      2.96880094      6.57376619     -1.14020877
  O      3.57778823      5.93997176     -0.74432040
  H      0.78587523      8.24681619      1.06186328
  H      3.23852102      5.06015149     -0.96117820
          69
 Energy    -248.16806244013270     
  O     15.28373865      6.20460694     -8.19936955
  H     14.32984790      6.06065980     -8.33336119
  H     12.00850140      6.26485335    -14.76990003
  O     12.91308668      5.25670375    -15.96759558
  H     15.45355787      6.06070649     -7.27205437
  H     16.78695115      8.67395269    -12.93056171
  O     16.41717236      6.57091487    -15.50691763
  H     13.58232244      4.68288635    -15.57746273
  H     15.92757621      9.51886278    -13.93971178
  O     15.12151218     11.07665520    -14.44373310
  H     13.39229353      5.87358295    -16.53592974
  H     13.67632848      8.04429406    -11.89858131
  O     10.44044118      6.29532398    -11.65699047
  H     16.40324130      7.31717509    -14.88985492
  H     14.73786197      7.80778837    -13.00535177
  O     16.31863154      4.62825932    -10.33678772
  H     15.83828000      6.79953407    -16.24448646
  H     12.36879107      5.14264164     -9.27580759
  O     11.88754282      4.02526780    -10.73607401
  H     15.42089422     11.97751869    -14.52531944
  H     12.08648477      6.59958142     -8.86747351
  O     17.77193880      8.47083148    -11.42078452
  H     14.33150059     11.09135550    -13.87120951
  H     17.68898321      5.36740245    -14.96358764
  O     12.88295655     10.93242485    -12.97481008
  H     10.77046878      6.46304460    -12.54912626
  H     18.94499388      4.48357514    -15.08159052
  O     13.60045319      9.52402411    -16.31497219
  H     10.81546300      5.44752456    -11.38626022
  H     14.07953234      5.68678040    -12.17667030
  O     11.20159270      9.46704728    -14.77930309
  H     16.03254785      5.12790285     -9.56246770
  H     14.46226095      4.41224049    -12.96247009
  O     11.73373806      6.89170591    -14.08694368
  H     15.54646048      4.57723997    -10.91447883
  H     14.14076450      8.05185893    -17.03317703
  O     16.21233257      8.62598800    -13.70662652
  H     11.75258432      3.08154587    -10.73928200
  H     14.46699808      7.30852443    -18.34992350
  O     13.96444045      7.42048429    -12.57812536
  H     12.69227955      4.19732432    -11.25626098
  H     15.48810838      5.10146079    -14.88062868
  O     12.64325406      5.83799395     -8.66581126
  H     17.95660725      7.52584694    -11.58146064
  H     16.08937003      3.76247058    -14.51200841
  O     18.18683694      4.65578710    -14.52819531
  H     18.59339373      8.86822949    -11.14525006
  H     17.58990977      5.37189835    -11.34272370
  O     14.11745012      4.72025714    -12.11548574
  H     12.95348063     10.44997362    -12.13873492
  H     18.24243926      5.40046639    -12.75304670
  O     14.46033356      7.20839389    -17.40178963
  H     12.21572027     10.48008836    -13.50468879
  H     10.73232728      7.41311180    -10.36174921
  O     15.24173524      4.20244258    -14.61134463
  H     14.17511774     10.09138723    -15.78820489
  H     10.19146069      8.28833243     -9.20437993
  O     18.18325022      5.87766845    -11.91950913
  H     12.73974894      9.54236808    -15.87839642
  H     15.52476654      7.83939608     -9.08805731
  O     10.99512273      7.96575405     -9.60299823
  H     10.28461450      9.59322856    -15.00839424
  H     16.31301590      8.59977546    -10.17851051
  O     15.55517425      8.66604452     -9.58626170
  H     11.30598784      8.52852277    -14.54576896
  H     12.44063639      8.93243534    -10.24512139
  O     13.17757795      9.32505330    -10.72810384
  H     12.52865463      7.09515291    -13.57009608
  H     13.99652008      9.17749861    -10.22826955
          69
 Energy    -248.16803244190632     
  O     -1.82628522      5.21464697      1.84466943
  H     -2.01247738      6.14876377      1.87669514
  H      1.49130479      0.64258642      2.58461623
  O     -2.95601939      2.87857984      2.86508314
  H     -0.98280414      5.07599491      2.31674907
  H     -3.59742183     -1.21539086     -0.66587989
  O     -1.38526590     -0.74366884      4.76177507
  H     -2.67815671      3.75881570      2.58031245
  H     -2.23011350     -1.90546778     -0.61199106
  O     -1.11728085     -2.75590632      0.62896111
  H     -2.31729406      2.25757163      2.47709188
  H     -0.55455095     -2.45442750      4.88452325
  O     -0.21388065     -0.41756893     -2.18359651
  H     -1.90285777     -0.99587680      3.98273775
  H      0.89579127     -2.96113599      4.75088228
  O     -4.54427032      1.87616964      0.71215561
  H     -1.77050934      0.07970372      5.08542291
  H     -0.31386684     -5.60187820      2.60180307
  O     -2.16386485      1.48631652     -0.87423211
  H     -0.29304756     -2.28961769      0.42529173
  H     -0.19149468     -4.20673723      3.26112931
  O      1.22997332     -1.42187541     -0.00761517
  H     -0.87444208     -3.52920957      1.15388051
  H      1.53259036     -3.86034900      1.95220914
  O     -1.32260617      1.03972449      1.68862813
  H     -0.45275691      0.49089351     -1.97968650
  H      2.05777975     -2.66707035      1.12735690
  O     -4.89394722     -0.81387060      0.73263137
  H     -1.04934621     -0.89739892     -2.11761459
  H     -2.69204852      2.24637522      4.52369950
  O     -2.65392147     -1.30271311      2.37638555
  H     -3.85029796      1.93607790      0.04383281
  H     -2.99362504      2.16817788      6.03744464
  O      1.42340760      0.77601713      1.62853083
  H     -4.17730451      2.28178016      1.50791342
  H     -0.56958905      2.48478668      5.23117948
  O     -2.76972736     -1.31025771     -1.15243557
  H     -2.41910521      0.59569836     -1.14582440
  H      0.79705888      1.89004823      4.85733615
  O     -0.02662991     -3.24430017      4.71420904
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          69
 Energy    -248.16779625925568     
  O      2.49371085      4.88178459      3.36002560
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  H     -1.34974480      7.60697353      0.01591608
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  H     -3.71649774      8.44655794      0.55031769
          69
 Energy    -248.16767197877431     
  O     14.45961616     10.93562109    -13.19161478
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  H     13.65169134      7.72888540    -14.90224433
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  H     10.64767611      8.13314607    -13.00406420
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  H     17.73362161      9.82001524    -11.57389369
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  H     10.35414858      9.43473614    -11.30311360
  H     11.10972493     11.70440929     -8.41476546
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  H     13.55560164      4.35413027    -11.61852969
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  H     13.95138775      2.92272999    -11.18072744
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  H     14.90845750     10.32697918     -9.31042832
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  H     12.48953613      8.48851526    -11.94331929
  H     13.50443056     10.04576323    -14.36307437
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  H     13.35264643      8.78278993     -9.80973370
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  H      9.57352533      6.27114272     -9.14686253
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  H     16.16860311      8.44131344    -12.32698994
          69
 Energy    -248.16756223964043     
  O     10.11293655      9.81730056    -11.91610360
  H     11.08323141      9.80005605    -11.86777695
  H     17.39755629     10.97826352    -13.51850316
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  H     14.92775253      7.80220939    -14.93001004
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  O     14.60959467      5.21127828    -10.45453373
  H     14.87081142      7.63594235    -16.46835278
  H      9.82148359      7.91251722    -11.80424432
  O     12.80090622      5.71815244    -14.37171097
  H     13.38220788      9.09571859    -15.23849728
  H     10.86870289      6.79267320    -11.70900432
  O     15.55137065      9.60890545    -11.27350707
  H     11.99512489      9.73772319    -14.92879541
  H     19.39856559      5.70444259    -11.31911289
  O     16.71712666     10.42315175    -16.64962661
  H     14.55611777      4.71049744     -9.64508774
  H     18.31156635      6.07756840    -12.35320741
  O     14.96438529      4.24743538    -13.15904709
  H     15.27998263      5.90385357    -10.31458302
  H      9.30785357      5.87847666    -14.88546554
  O     18.39526320      9.53656778    -14.54859185
  H     13.30347575      6.32965250    -14.92970965
  H      9.91749248      6.52710056    -13.61955460
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  H     11.86596195      5.85548580    -14.56770291
  H     19.33488515      8.15239399    -11.88844778
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  H     16.05123658     10.96818716    -16.21384011
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  O      9.93806653      6.96097164    -11.91506127
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  H     16.18549231      8.07057778    -10.44646171
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  H     14.19327418      4.58505745    -13.63150395
  H     17.28286209      6.97781566    -10.59107569
  O     10.04805158      6.39418292    -14.57572185
  H     14.82809832      4.46765604    -12.22897301
  H     14.09059958     11.20413647    -15.02681282
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  H     18.52741918      8.72529607    -15.06668442
  H     14.37456138     12.68766290    -15.35673246
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  H     18.90256199      9.43385054    -13.72983241
  H     12.79458566      6.39208406    -12.69721068
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  H     16.38633926      8.88345293    -17.40696528
  H     13.32111946      6.23220072    -11.24463209
  O     14.79568085     11.86859672    -15.10763170
  H     16.28222459      7.95705436    -18.64354304
  H     12.84180852      8.52306150    -11.94270978
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  H     18.02901983      6.48423791    -15.26901576
  H     12.95487644      9.64582953    -13.02052621
  O     12.86411706      9.48513471    -12.07090030
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  H     10.17819910      8.30931141    -14.80446873
  O     10.29668166      9.26513047    -14.74162697
  H     16.03395651     11.66111583    -13.68588338
  H     10.06528729      9.50297359    -13.83513668
          69
 Energy    -248.16753717847922     
  O      4.78924727      1.38716380      2.69649945
  H      4.98411329      0.44507913      2.83882656
  H      6.37514085     -2.16467283     -0.34749931
  O      7.26166743     -5.43553577      3.70358321
  H      3.82678335      1.43680575      2.69795881
  H     10.02235598     -1.28692571      6.49310406
  O      9.69266997     -1.89512069     -0.27613289
  H      8.04187250     -4.87749575      3.85264312
  H      9.22506938     -0.74375574      5.28554216
  O      2.75005911     -3.58612660      4.97020932
  H      7.53602565     -6.33426346      3.87249114
  H     11.98338511     -2.83814301      1.82471625
  O      2.89936758     -0.98891980      0.72218928
  H      8.78428295     -2.24169160     -0.28042244
  H     10.61816978     -2.70591193      1.13583602
  O      5.21521210     -1.23463109      3.32012807
  H      9.95795133     -1.82119389     -1.18956198
  H      8.23984682     -2.58401216      3.07875522
  O      6.41947562      2.12445270      4.77883130
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  H      8.15323892     -1.20358300      2.34547637
  O      2.43520889     -0.73008549      5.09869584
  H      3.66994681     -3.82702024      5.18830513
  H      5.94680454      1.35089237      1.22575370
  O      9.36628216     -3.67884452      4.00707091
  H      2.56037592     -0.35022399      1.35811603
  H      6.10805942      0.44436011     -0.00298338
  O      3.45124600     -3.17346610      2.29178570
  H      2.97673163     -1.82549818      1.20599813
  H      2.15131120      0.23223977      3.64966701
  O      5.30639512     -4.24543162      5.47066928
  H      6.10049170     -1.56067128      3.10981382
  H      1.19025448      1.18697678      2.90928098
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  H      9.36778976     -0.31214580      0.89477062
  O      9.41915159     -1.54662320      5.80133041
  H      5.83287389      1.97301687      4.01837778
  H      8.15541895      0.62017932      1.16961578
  O     11.06272690     -3.07533203      1.91224627
  H      6.36958250      3.05525122      4.98202692
  H      8.05493699      1.19029697      4.50056309
  O      7.67009485     -2.01546069      2.55017179
  H      3.25037983     -0.46070636      5.54174456
  H      9.00776321      0.67288086      3.39342368
  O      6.57934706      1.08173795      0.54714569
  H      2.45893409     -1.69477320      5.07945475
  H      6.18127921     -4.98309029      2.19812861
  O      2.05178520      0.78287594      2.85238479
  H      9.47344562     -3.00821327      4.69591352
  H      6.10182028     -4.24095550      0.84309159
  O      8.96210814      0.24730636      1.56469099
  H     10.04317482     -3.53170041      3.32952376
  H      6.21780343     -1.52170326      6.59658371
  O      8.85240057      0.66987843      4.34678470
  H      3.11299433     -3.44028210      3.15499895
  H      7.66506618     -2.04117693      6.46713115
  O      5.57664865     -4.72228335      1.49215761
  H      4.13164478     -3.80617168      2.01603251
  H      4.30018400     -0.92396868     -0.28866801
  O      6.77949073     -2.29435245      6.74731524
  H      5.83365783     -3.61059683      5.97846800
  H      4.78443284     -0.82246530     -1.74921930
  O      5.09492028     -0.91395321     -0.85198952
  H      5.91885544     -4.69041941      4.87722080
  H      5.14745164     -0.65830972      5.00874492
  O      5.11858621     -0.19997263      5.86601448
  H      7.19647809     -2.52428965      0.92238238
  H      5.54727500      0.64951880      5.71700755
          69
 Energy    -248.16750328671384     
  O     19.33301801      9.64732680     -8.61523931
  H     19.99265661      9.59467082     -9.32056010
  H     21.51861697      8.56998468    -11.33142412
  O     18.31921440      5.12070708     -9.58308521
  H     19.53794082      8.92170318     -8.01356032
  H     15.11534757      8.00070244    -14.35905443
  O     19.16805591      4.10937596    -12.73535237
  H     18.48659928      5.90771831    -10.12485661
  H     16.18783721      8.60147197    -13.41630430
  O     18.36183420      6.65373718    -13.66631728
  H     17.82061066      4.50557646    -10.13100343
  H     22.14932717      3.94372330    -11.67649418
  O     22.22074517      7.31789947    -12.41247195
  H     18.37022811      3.77363385    -12.30820246
  H     20.72281007      4.46239452    -11.93926960
  O     16.72631118      3.66866251    -11.32002804
  H     18.88434410      4.89848779    -13.21449846
  H     13.71568848      3.82166033    -10.05549454
  O     20.51385015      7.95920733    -14.69179866
  H     18.50452589      6.89793248    -12.73659276
  H     13.83690269      5.11380626    -10.87974477
  O     19.96806682      7.35985363     -7.01344916
  H     17.46058515      6.92722759    -13.87140095
  H     16.10225005      7.11938343     -8.38466734
  O     15.19253991      4.40761800     -7.23085860
  H     21.75912841      7.45484524    -13.24702504
  H     14.58222838      7.19192389     -8.66949923
  O     18.71347083      7.41904852    -11.06264131
  H     22.04902317      6.40307413    -12.15188055
  H     15.42493892      6.68745959    -12.23052016
  O     17.03349872      9.44957792    -10.09521104
  H     16.25088709      4.49817308    -11.48011755
  H     15.43644095      6.60228108    -10.66985863
  O     20.88888555      9.18900318    -10.93132764
  H     16.18781572      3.16780352    -10.69416326
  H     20.10994042      9.55925257    -13.88426451
  O     15.78322888      7.76777836    -13.72018464
  H     20.72007736      7.67772809    -15.57942668
  H     20.20443617     11.09737480    -13.77604273
  O     21.58588485      4.70566839    -11.56310511
  H     19.73799154      7.44589517    -14.40585267
  H     18.11901699      6.71079308     -7.01943125
  O     13.22474822      4.60677349    -10.32853493
  H     20.54257203      7.40919277     -6.25333517
  H     17.64065228      5.76126954     -8.12321190
  O     15.44384526      7.47164581     -9.00119676
  H     20.40245306      6.76259939     -7.64705434
  H     12.21629023      6.38524513     -7.82794391
  O     15.32749011      6.08821379    -11.48168219
  H     14.44159475      4.99949185     -7.36288076
  H     13.02168732      5.62259711     -8.90913864
  O     19.83790430     10.32373109    -13.35275154
  H     15.95563885      4.98127457     -7.08529592
  H     16.96230151      9.93635832    -11.83013467
  O     17.33413090      6.25968935     -7.34658867
  H     19.55891282      7.87425970    -10.96122297
  H     17.94571393     10.14993824    -13.00290777
  O     13.10175995      6.18090302     -8.11487743
  H     18.04468711      8.05430749    -10.77462965
  H     20.03216746      5.22735892     -9.00177979
  O     17.02141639      9.97325198    -12.79701612
  H     17.76753532      9.62050332     -9.48407480
  H     21.37988230      5.36875447     -9.67980119
  O     20.93113012      5.55633697     -8.84995091
  H     16.37689124      8.90627680     -9.64062772
  H     14.89120951      1.75865894     -8.95654781
  O     15.04698176      2.63411769     -9.30088593
  H     20.54189112      9.72167950    -11.65736313
  H     15.15720849      3.22026062     -8.53104977
          69
 Energy    -248.16743474050179     
  O     18.74162022      9.62090190    -13.54890969
  H     18.38804627     10.51785402    -13.55542220
  H     12.07543193     10.05836410    -10.84652031
  O     13.92060105      6.57303650    -11.90331131
  H     18.57061598      9.27584258    -12.66105094
  H     17.11323573     11.54579386    -10.03386130
  O     14.15160386     12.87984596    -10.44819929
  H     14.27061774      6.14826634    -12.69810861
  H     15.97287397     12.45246670    -10.56416448
  O     17.95280068      5.86417657    -10.84138517
  H     13.06364534      6.94184888    -12.15473534
  H     14.86609456      8.11389987    -11.81471768
  O     12.47301660      7.84476571    -15.51014812
  H     13.75492017     12.68097132    -11.31601245
  H     16.20579214      8.85539278    -11.50618021
  O     14.84153890      5.67952995    -14.36758184
  H     13.80963372     13.72647985    -10.17456972
  H     18.34226003      8.45834834    -14.73927955
  O     15.12741041     10.61589309    -13.92010968
  H     18.59027586      5.20135076    -10.59019935
  H     18.72228058      7.73329732    -16.05337859
  O     15.35836631      8.73993555     -8.19225093
  H     17.79411140      5.75156209    -11.79642192
  H     10.76644295      4.60524875    -12.58647847
  O     12.41548344      4.94932484    -15.61476868
  H     13.40335320      8.07777178    -15.62391485
  H     10.94113788      6.01564963    -13.17278938
  O     13.59434892     10.17546981     -9.90465025
  H     12.40869858      6.90901628    -15.73701463
  H     16.58287671      5.48204856    -13.77973491
  O     15.42855808      6.30329243     -9.52781058
  H     14.96196712      6.57462454    -14.71964182
  H     17.80549676      6.34208233    -14.11513384
  O     11.33911425     10.08240831    -11.48096389
  H     14.08571535      5.30001474    -14.83070422
  H     12.34808867     11.42040713    -12.52732419
  O     16.88517501     12.17964606    -10.72346829
  H     15.16561992     10.04268633    -13.13651073
  H     13.67181501     11.60190594    -13.30665091
  O     15.27844649      8.98488684    -11.74078981
  H     15.90348245     11.18771638    -13.87194432
  H     11.86078748      7.87427487    -13.82838956
  O     18.06209244      7.76656122    -15.36659667
  H     15.37084043      7.85209526     -8.58131421
  H     11.41253156      8.52724966    -12.47534643
  O     10.79835997      5.08491134    -13.41107275
  H     14.60820506      9.19882521     -8.58775735
  H     18.05901236     10.34589948     -7.97645943
  O     17.48664633      5.67453107    -13.49625088
  H     12.07553440      4.35345273    -16.27683752
  H     16.76958728      9.66905150     -8.50144844
  O     13.01379115     12.07181938    -12.77550338
  H     11.80300653      4.90978849    -14.85995175
  H     15.20973681      9.11824382    -14.96459230
  O     11.57126451      7.68795194    -12.92071833
  H     14.22128922      9.76642694    -10.52348273
  H     16.22769525      8.09852087    -15.51889397
  O     17.55516093     10.18099572     -8.76852854
  H     13.78167219     11.12287178     -9.91606842
  H     17.28904803     12.16491855    -12.40747273
  O     15.28225207      8.25984939    -15.40549225
  H     16.28450893      6.06650839     -9.90372805
  H     17.75008954     12.99870704    -13.62662979
  O     17.44303482     12.13379481    -13.36932121
  H     14.80949221      6.28702451    -10.26951292
  H     17.96809550      9.12023883    -10.22231538
  O     17.98022186      8.64427204    -11.06229986
  H     10.56306183     10.34551001    -10.99166780
  H     18.04963070      7.69778548    -10.88097209
          69
 Energy    -248.16727722971257     
  O     16.09277470     11.83442926    -12.88408064
  H     16.55607549     11.20443254    -12.31834418
  H     15.47625350      5.95755981    -12.90283553
  O     16.24221958      9.32503325     -7.50771158
  H     15.50100175     12.32935935    -12.30423563
  H     12.10561573     11.33180548    -12.72574712
  O     16.40247113      5.96147822     -9.60000314
  H     17.14613472      9.30362343     -7.84041565
  H     11.34455912     11.42852302    -11.38488927
  O     12.88142930      5.26500152     -9.39501568
  H     15.80213223     10.01895717     -8.01852448
  H     18.95193882      8.33803698     -8.87492201
  O     18.97533337      6.58631172     -8.86809532
  H     16.00031831      5.13778434     -9.90131984
  H     19.62017346      9.69562972     -8.55573248
  O     17.04131336      9.96563917    -10.97411649
  H     15.72643409      6.45219068     -9.10918324
  H     13.79692002      7.95585049     -8.68910179
  O     14.21844576     13.07313504    -11.09610834
  H     13.55533142      4.69833631     -9.79078924
  H     15.07608290      7.96430938     -7.83208419
  O      9.79753776      8.12870437    -11.81256756
  H     13.35304861      5.92294519     -8.87024752
  H     13.33813201     10.41966795    -14.47998373
  O     14.93417960     10.94779797     -9.41584769
  H     19.39518888      5.82920966     -8.46870176
  H     13.05120541      9.46632313    -13.28263234
  O     13.60201622      8.22742444    -12.10137720
  H     18.08058913      6.29992136     -9.11503216
  H     11.74533401      5.77396953    -12.59836056
  O     10.76719539      5.56660065    -11.03837256
  H     16.29029982     10.27107590    -10.44365027
  H     11.77087253      6.65362852    -13.87871770
  O     14.96902288      5.14757608    -13.04046596
  H     17.75329033      9.79169515    -10.34659866
  H     10.30754061      8.27783150    -15.33387427
  O     11.94113292     11.91027024    -11.96937572
  H     14.08309072     14.01260501    -11.00904140
  H     11.39689301      8.86531522    -14.40507707
  O     18.81356361      9.30078886     -8.87656936
  H     13.37906007     12.69639680    -11.41717840
  H      9.55596262     10.51331659     -9.76048241
  O     14.43600552      7.37243166     -8.25516606
  H     10.08855262      7.27025052    -11.48028008
  H     10.07695225      9.51927132    -10.82666872
  O     12.62845221     10.02529974    -13.95200991
  H     10.02118458      8.14690522    -12.75055008
  H     14.96619145      4.22262600    -11.57306631
  O     12.30507387      6.06285920    -13.33238390
  H     14.15675983     10.37458371     -9.47506858
  H     15.13246095      2.88401754    -10.81187057
  O     10.76717305      8.13020532    -14.51182921
  H     14.71361424     11.76273080     -9.88314510
  H     15.30791449     11.39465114    -14.39386302
  O     10.32826417     10.27551442    -10.26604239
  H     13.15342152      7.44948466    -12.45506699
  H     15.37634518     11.22724488    -15.92162998
  O     14.96951798      3.81470487    -10.68796248
  H     14.54476248      8.01719031    -12.05624388
  H     13.05681103      8.81736264    -10.53457099
  O     14.79133193     11.13225595    -15.17568027
  H     11.49964737      5.50087983    -10.39975697
  H     11.95124495      9.54152605     -9.71895648
  O     12.82761088      9.14739322     -9.65146791
  H     10.15192889      4.87209356    -10.81755231
  H     16.60775183      8.36435656    -11.74708022
  O     16.24393689      7.49260035    -11.95494874
  H     14.07477100      5.41432099    -13.29222521
  H     16.35972102      6.96020348    -11.15597487
          69
 Ord_Energy   -248.167267    
 O   -5.32547617      -3.64496636       7.04498339    
 H   -4.38286924      -3.68103504       6.84027576    
 H   -5.51737928      -2.72968674       7.29132700    
 O   -7.27546549       2.79729199       2.74010110    
 H   -7.28686953       2.28101611       3.56461358    
 H   -6.43775511       3.27117944       2.76471972    
 O   -2.61952233      -3.63210797       6.24340487    
 H   -1.96123946      -4.29738617       6.42612410    
 H   -2.73793554      -3.61204505       5.27616262    
 O   -9.95494461       1.90853393       3.12830615    
 H   -9.13083172       2.33155441       2.85880423    
 H   -10.0755873       1.14231789       2.55452204    
 O   -4.87299871       2.84504938       5.89894724    
 H   -4.38955975       2.25644350       6.48957586    
 H   -5.70633793       2.39105034       5.70782614    
 O   -6.29469872      0.505662382       1.39651656    
 H   -6.69890738       1.32485509       1.71159577    
 H   -5.37474346      0.548506320       1.68040085    
 O   -3.83148956      0.836278558       2.83805275    
 H   -4.32014942      0.342272311       3.51635861    
 H   -3.99809074       1.77635407       2.97923040    
 O   -10.4864311     -0.610881090       1.81802452    
 H   -11.1536245     -0.775964558       1.15716553    
 H   -10.8558502     -0.899735510       2.67155647    
 O   -7.06692600      -4.54367161       5.21968508    
 H   -7.29371405      -5.45531893       5.37860584    
 H   -6.44772720      -4.27550888       5.92381382    
 O   -2.96597528      -3.36938810       3.57366562    
 H   -3.88633084      -3.32757592       3.28292608    
 H   -2.56367874      -2.51662040       3.36653519    
 O   -8.61825275      -2.22135639       4.88740540    
 H   -8.30713844      -1.92438042       4.02006674    
 H   -8.19111347      -3.06803989       5.06226921    
 O   -7.86053228      -1.54395890       2.26503062    
 H   -7.28726530     -0.833340943       1.93630624    
 H   -8.75494862      -1.31637919       1.98591709    
 O   -3.69547415      0.887897372       7.60906839    
 H   -3.10920572      0.305875301       7.09241581    
 H   -3.22074056       1.11683404       8.40413857    
 O   -11.2234583      -1.31087530       4.34491682    
 H   -10.4202127      -1.78252554       4.60636854    
 H   -11.2216311     -0.495286763       4.86105347    
 O   -10.7314768       1.20515525       5.64987993    
 H   -10.4311647       1.51778662       4.77737331    
 H   -11.3585329       1.84962702       5.96739292    
 O   -2.14515018     -0.820327699       6.18594456    
 H   -2.28148341      -1.76506114       6.33005667    
 H   -1.94427884     -0.730941832       5.24712563    
 O   -5.83762836     -0.931670427       7.34690285    
 H   -5.21880674     -0.227316126       7.57807064    
 H   -6.73489285     -0.575413048       7.34153748    
 O   -5.26751471     -0.754945219       4.57810545    
 H   -5.34648180     -0.921663165       5.52531099    
 H   -5.42563725      -1.59043264       4.12195492    
 O   -5.75492859      -3.13618445       3.15713310    
 H   -6.17332745      -3.73184872       3.79318094    
 H   -6.46989298      -2.71002603       2.66427135    
 O   -1.72044146     -0.794713795       3.32762003    
 H  -0.943197906     -0.596574962       2.81161547    
 H   -2.40672636     -0.161973849       3.05522346    
 O   -4.50932598       3.54855490       3.31606221    
 H   -4.57927513       3.39275932       4.27586985    
 H   -4.02490664       4.36215639       3.20525026    
 O   -8.54218292     -0.188791335       6.76778221    
 H   -8.56063938     -0.952982306       6.16918707    
 H   -9.35338020      0.304128379       6.58875370    
 O   -7.02710104       1.31791079       5.00949287    
 H   -6.45608187      0.590207815       4.72373438    
 H   -7.64762545      0.931560695       5.63701773    
          69
 Energy    -248.16705777793965     
  O     13.00216757      5.77156535    -15.13336168
  H     13.37703687      6.66125999    -15.17884590
  H     19.68479785      9.75116434    -12.40217134
  O     17.12868708      6.00884507    -12.26401648
  H     13.74029803      5.17192073    -15.29553246
  H     15.66102313     10.95653246    -14.42797935
  O     15.22524580     10.44550082     -8.74908739
  H     16.96361823      6.13275315    -13.20955694
  H     14.15099485     11.20289331    -14.38486503
  O     19.30666789      7.53621453    -14.46210789
  H     18.08544809      5.99788128    -12.13592569
  H     16.62401731      8.69577318    -10.76648635
  O     15.34131209      4.09387994    -15.14203572
  H     14.67595882      9.64147943     -8.74654036
  H     16.54608907      7.68892351    -11.92693833
  O     13.94347147      8.04139349     -8.64260419
  H     14.95382485     10.96186490     -7.99366698
  H     12.19230622      5.22994810    -13.68092537
  O     15.30271980      5.09351285    -10.45805404
  H     18.41743115      7.31558029    -14.76787719
  H     10.97881799      4.52354502    -13.03225188
  O     13.57013485      8.76861775    -12.25883281
  H     19.31995925      8.47584677    -14.24248817
  H     17.14305132      7.93417708     -8.75976837
  O     19.90080897      6.27414044    -12.15074725
  H     15.06738335      3.83011398    -14.24569701
  H     16.82014337      9.44960687     -8.86821850
  O     16.24525934      6.36588778     -8.22617306
  H     15.49664869      3.28884233    -15.62899709
  H     14.74323677      3.82538418    -11.84689496
  O     16.64756062      6.57431633    -14.91621000
  H     13.44582572      7.55267644     -9.30948257
  H     13.45504627      3.81451483    -12.68327004
  O     19.63544994     10.15003448    -13.28980367
  H     14.65361902      7.45074531     -8.36311248
  H     17.88699971     10.76209214    -13.21237888
  O     14.85967627     10.90539785    -14.96751849
  H     15.95499263      5.38691248    -11.11423542
  H     16.69028204      9.99745622    -12.62119379
  O     16.23563010      8.55606490    -11.63839423
  H     14.48880195      5.59874053    -10.60470503
  H     19.01689219      8.85220551    -10.21853646
  O     11.85735868      4.84607693    -12.85029945
  H     13.28887074      9.68097631    -12.39953297
  H     19.81308707      7.92276877    -11.16845017
  O     17.45590937      8.77029775     -9.13099136
  H     14.49550518      8.78273335    -11.96815477
  H     15.89599776     11.73011750    -11.76843408
  O     14.36277042      3.48423940    -12.66402102
  H     19.78197558      6.68943427    -13.02601197
  H     15.24438808     11.47305720    -10.37940958
  O     16.93978145     10.83103660    -13.04730801
  H     20.64302109      5.68067703    -12.22307940
  H     14.56808730      9.10923368    -15.13681127
  O     19.69948012      8.84332803    -10.90062967
  H     16.42861752      5.75928616     -7.51327893
  H     14.05072717      8.27103689    -13.96737386
  O     15.17062766     11.99601325    -11.18613338
  H     15.95496668      5.82817781     -8.98285914
  H     13.08214183      7.34292692    -11.37495139
  O     14.39211331      8.19665778    -14.86897161
  H     16.28702927      5.70448835    -15.13372710
  H     12.44594555      5.93788875    -11.43623428
  O     12.93747681      6.53382686    -10.85867247
  H     15.90636977      7.19671933    -14.94568693
  H     12.33557021     12.11323239    -12.67529580
  O     13.03799278     11.47551155    -12.76462831
  H     20.43577318     10.65457895    -13.40934672
  H     13.75738791     11.76167011    -12.17271276
          69
 Energy    -248.16703717694298     
  O     15.72065543      4.91696637    -12.88796248
  H     16.47108018      4.78977697    -12.29389506
  H     16.11061691      8.90671374    -15.87352433
  O     15.63747198     11.59724796    -12.60176463
  H     16.05849918      5.04031610    -13.78856698
  H     15.71930719      6.80280404    -12.66695988
  O     18.27527609     10.67943135    -13.48888788
  H     16.48400562     11.39125729    -13.01056439
  H     14.98299108      8.16082305    -12.50036826
  O     10.69503995      8.08424038    -15.74950113
  H     14.95975125     11.35717113    -13.24721358
  H     13.34247680      5.76529464    -10.92446328
  O     16.22619519      6.56301344     -9.34621170
  H     18.22723504     10.19730935    -12.64452588
  H     13.36603125      7.29766159    -10.81501363
  O     12.30476036      6.80563767    -13.80307889
  H     19.01327918     11.28041594    -13.42164738
  H     18.40871340      5.61329473    -11.66610167
  O     13.67133151     10.45761649    -14.32677174
  H     11.02676284      7.68886318    -16.56513622
  H     18.50917635      4.32547484    -10.81656026
  O     13.12857463      9.74065170    -17.97677839
  H     11.11190666      7.59590540    -15.02751031
  H     14.03781381      4.58756350    -12.57584900
  O     16.50913560      5.62382708    -15.40855134
  H     16.77010937      5.99541470     -9.90065638
  H     12.86144345      3.61103819    -12.31915641
  O     17.56803231      8.27458493    -14.78577283
  H     15.31386410      6.48529209     -9.66323886
  H     17.13089681      8.60412056    -11.71683329
  O     13.95146306      6.57467507    -16.05489628
  H     12.42877310      5.96819498    -13.33800340
  H     17.67741562      9.18939856    -10.39563676
  O     15.20700468      9.05068274    -16.17262522
  H     12.55905832      7.50602890    -13.18774184
  H     18.91394815      7.67462328    -12.03269335
  O     15.83313603      7.75971750    -12.71181341
  H     14.24760713      9.99791941    -14.95353931
  H     18.88568786      7.16086667    -13.47136392
  O     13.63574029      6.49219575    -10.36233720
  H     12.86502924     10.68119455    -14.80752335
  H     16.93816483      9.26280126     -7.85191814
  O     17.89076139      4.96898817    -11.15304359
  H     13.96499553      9.64975632    -17.50133492
  H     16.58895589      8.18832635     -8.91197938
  O     13.08590535      4.53577056    -12.37504642
  H     12.53845743     10.22046153    -17.38172110
  H     12.47157882      8.12004920    -18.16526076
  O     17.89717853      9.05167534    -11.32439905
  H     15.63237309      5.86047037    -15.74598001
  H     11.89048800      6.92763746    -18.96507465
  O     19.16385450      6.91815242    -12.58404028
  H     17.02701362      6.43542894    -15.42752961
  H     15.07929627     10.83810068    -11.02078093
  O     16.79905071      9.13277102     -8.78534319
  H     17.94050818      9.12840817    -14.52973667
  H     15.34906114      9.97353508     -9.75520965
  O     12.12394927      7.21320653    -18.08632182
  H     16.90251978      8.07058164    -14.10595772
  H     10.61333739     11.27673411    -15.91343068
  O     14.65560191     10.28695502    -10.34440900
  H     13.35411009      6.63438159    -16.81119790
  H     11.05545935      9.79539829    -15.81612385
  O     11.37914541     10.70912303    -15.91420444
  H     13.40497038      6.63050800    -15.25866436
  H     13.31942252      9.42693746    -12.89876364
  O     13.29028492      8.83762965    -12.12980119
  H     14.77199888      8.18515206    -16.13770858
  H     13.66053074      9.34791962    -11.38915004
          69
 Energy    -248.16675158131341     
  O     11.90665252     11.00528614    -14.50668224
  H     11.62573505     10.66781078    -13.64852564
  H     18.77144176      7.59668917    -14.70264167
  O     15.69290420      6.59520644    -13.23793928
  H     12.09510354     10.23342578    -15.05917347
  H     14.81293060     11.86840043    -16.29500264
  O     17.41723292     10.18784169    -15.77393617
  H     15.56214227      7.41325960    -13.74426810
  H     16.09797594     11.09305200    -16.65418237
  O     11.85576417      6.26781495    -15.22561221
  H     16.50331780      6.70607810    -12.73093721
  H     15.84567191      9.24377752    -15.17029027
  O     15.97840938      9.24548733     -9.06793777
  H     17.90028678      9.42260809    -16.11366344
  H     14.32816441      8.84780770    -15.10818092
  O     13.92863152      6.94792748    -11.19177890
  H     17.74935247     10.37230891    -14.88613673
  H     12.12054243      9.94115203    -11.47150080
  O     15.21519422     10.97557215    -12.86998099
  H     11.72648131      6.55768279    -14.30445259
  H     10.61840555     10.26304033    -11.31286585
  O     16.01921254      7.14618756    -17.44027182
  H     11.12087158      5.69973232    -15.44029248
  H     12.31030498      6.97686436    -12.09766203
  O     16.04844018      6.38721216     -9.40209737
  H     15.92997467      8.28281661     -9.01342463
  H     11.33545774      8.09561393    -12.50001366
  O     18.48704062      7.73704417    -16.57878088
  H     15.18446322      9.52917107     -9.53812587
  H     17.02747819     10.66143268    -12.91207945
  O     14.61230043      5.56430868    -15.64780199
  H     14.47182097      6.77585152    -11.97713384
  H     18.22888126     10.18994735    -12.09035732
  O     18.88137334      7.72312677    -13.75355132
  H     14.46320530      6.65283388    -10.44676451
  H     18.38223955      7.03615460    -12.20137031
  O     15.24268159     11.37938989    -17.00585553
  H     15.12800575     10.19045047    -13.43586041
  H     18.08514497      7.84373775    -10.93867653
  O     15.14935171      8.89250722    -14.60197810
  H     14.86809877     11.70735487    -13.39411086
  H     19.03146086      9.86153494     -9.66972889
  O     11.26618095      9.93870649    -11.93396627
  H     15.50717449      6.55446116    -16.86863856
  H     17.51676187      9.58758329     -9.82713472
  O     11.57864013      7.18348645    -12.69474607
  H     15.40785195      7.79920468    -17.79523054
  H     14.57492629     10.04784743    -17.90067728
  O     17.94257183     10.35694240    -12.99676632
  H     16.72219547      6.47213560    -10.09845331
  H     14.04156520      9.44290897    -19.22187256
  O     17.90807187      6.99012728    -11.35610866
  H     16.31018988      5.64904641     -8.85773800
  H     14.31884826     10.20511677    -11.50556151
  O     18.36688961      9.59913261    -10.30141814
  H     17.61172661      7.46343192    -16.91028610
  H     13.87160960      8.77943313    -11.01633282
  O     14.21415277      9.23834149    -18.30694958
  H     19.12809768      7.44160150    -17.21910867
  H     13.19322304     12.13266739    -14.67437721
  O     13.79502491      9.72992922    -10.84302144
  H     13.66765342      5.70121698    -15.51211638
  H     13.70536158     13.59066780    -14.78050580
  O     13.99511974     12.68296733    -14.75037980
  H     15.02667043      5.72215458    -14.78952807
  H     12.38813309      7.90808361    -15.86307480
  O     12.72923359      8.80136232    -15.99824975
  H     18.59198602      8.62599625    -13.56742633
  H     13.10013061      8.86517789    -16.88805052
          69
 Energy    -248.16666465965562     
  O     15.42496577     11.95138754    -11.62538289
  H     15.91707602     11.52685885    -10.91211656
  H     17.65688773      4.77213412    -13.04284648
  O     14.32899979      7.05635494    -14.89320305
  H     15.91074156     11.76577821    -12.43941323
  H     19.05477105      8.75021970    -11.23561134
  O     14.88969992      5.61712824    -10.85905464
  H     13.45095796      7.36249338    -14.63211909
  H     19.19326363     10.02971320    -12.06810045
  O     19.11252473      7.02884170    -11.74454577
  H     14.45206577      6.18513591    -14.49359941
  H     15.37399388      7.99891780    -13.73091662
  O     15.11926704     10.77771246    -16.29074080
  H     15.12677871      6.53400507    -10.65691412
  H     16.89167897      8.04854239    -13.44564829
  O     12.16924365      6.00159228    -10.84501430
  H     13.92661359      5.57680225    -10.76464246
  H     12.29737876     12.26197804    -11.78658834
  O     11.93006316      7.95334820    -13.84683879
  H     19.02000649      7.03412615    -12.70303714
  H     13.73537655     11.69655038    -11.86867412
  O     15.34372345      8.32810426    -10.53981798
  H     18.59362968      6.27965135    -11.42760000
  H     13.26443305      3.91678614    -14.03467091
  O     18.37284721      7.59732158    -14.53210526
  H     14.86935331     11.29715843    -17.05004820
  H     12.49699178      2.99479205    -14.99671630
  O     10.67525449      5.49311679    -13.26941810
  H     14.30667609     10.63913096    -15.77046045
  H     12.47099116      9.60778587    -14.58762354
  O     16.41192309      8.16171185    -16.38277189
  H     12.19407931      6.96751298    -10.85218533
  H     12.88548576     10.89732184    -13.86625989
  O     17.48097845      4.84358131    -13.99070980
  H     11.61311628      5.75206883    -11.59173281
  H     16.58133494      5.00382972    -10.95059802
  O     18.97046794      9.71463509    -11.18670664
  H     11.39234482      7.15907822    -13.74405672
  H     17.71502700      4.03826431    -10.54519186
  O     16.03903833      8.38598960    -13.14565087
  H     12.19850769      8.21807904    -12.95411611
  H     14.77934856      5.00503916    -12.61704326
  O     12.80048207     11.49920346    -12.05881995
  H     15.82927759      9.01892584    -10.07661273
  H     15.71627302      4.63525735    -13.80155839
  O     12.37385002      3.63438273    -14.30021798
  H     15.63427553      8.36846300    -11.46644574
  H     19.85637072     10.86543949    -14.45571029
  O     12.93311708     10.44526908    -14.71747647
  H     18.85387710      8.42659561    -14.41273081
  H     18.38420635     10.61445732    -14.04821715
  O     17.51018137      4.77491560    -11.11608446
  H     17.75742073      7.74909446    -15.26969988
  H     13.59171430      8.64855473    -10.96266965
  O     14.78821622      4.68508176    -13.52871250
  H      9.77805553      5.16995764    -13.27953337
  H     12.61420230      9.73349799    -11.45927511
  O     19.28369790     10.24635346    -14.01015551
  H     11.22879583      4.79832876    -13.66609500
  H     17.68042514     10.24758601    -10.19179618
  O     12.68970970      8.78702156    -11.28464735
  H     16.08404309      9.06336371    -16.47385301
  H     17.22466240     10.80602228     -8.82223409
  O     16.90014443     10.50507052     -9.66633282
  H     15.65708929      7.66646630    -16.03242412
  H     16.37003598     10.09998535    -13.62402553
  O     16.63835036     10.96504303    -13.97195787
  H     17.87519904      5.67214027    -14.28304628
  H     16.17307601     11.06335414    -14.81247711
          69
 Energy    -248.16637804492262     
  O     -2.07345344     -2.19794197     -1.34308415
  H     -2.45197242     -2.04320837     -2.20422855
  H      2.74045850     -3.64172707      4.04345741
  O     -2.83472245     -0.27138999      6.53380841
  H     -2.79748676     -2.50783674     -0.76975385
  H     -0.22942381     -2.90549035      2.84765669
  O     -2.02555168     -0.34438234      2.76924330
  H     -3.59132557     -0.84816814      6.37383381
  H     -0.16988196     -4.47066388      2.74799934
  O      1.33665134     -3.75065120      7.04070477
  H     -2.05863282     -0.84590492      6.49946671
  H     -3.37321491     -5.24679702      2.57406520
  O     -4.79631013     -2.24769687      5.85753387
  H     -2.23551623      0.42588497      3.31855676
  H     -2.20255859     -4.30960346      2.96464875
  O     -0.72223608     -2.10680318      6.05566399
  H     -2.76994379     -0.95612691      2.82859841
  H      3.92052746     -5.31197708      2.53245675
  O     -0.26555595     -5.73331155      5.74559185
  H      1.93961948     -3.73863560      7.77859850
  H      2.86369783     -4.35497016      1.92981759
  O     -0.70451997     -0.32043401      0.29558210
  H      1.84910379     -3.50749324      6.24790242
  H     -3.80319955     -3.04970426      3.10278928
  O      0.53753587     -6.06230770      3.12363836
  H     -5.57488467     -2.50441538      6.34565067
  H     -4.54950805     -1.98789153      3.91048763
  O     -3.65406265     -5.96406590      0.89439970
  H     -4.14652746     -2.96011894      5.97829874
  H      2.26926495     -2.38346358      0.78911342
  O     -1.00340778     -6.52691387      0.73947471
  H     -0.04403049     -2.60061522      6.53504747
  H      1.55414741     -3.60939257      0.18770822
  O      2.47949308     -3.00081740      4.71746043
  H     -0.30493038     -1.78095148      5.24993089
  H     -0.45210526     -0.92814741      3.32816062
  O     -0.65956371     -3.68009478      2.47294062
  H      0.31940168     -5.16477248      6.26194375
  H      1.00530478     -1.01665622      2.82043585
  O     -3.05268353     -4.66495134      3.27214527
  H     -1.15497222     -5.40671040      5.91685974
  H      2.32518665      0.16565882      0.99875036
  O      3.08153751     -4.89583151      2.71118811
  H     -1.26211712     -0.24730654      1.08263872
  H      0.92688713     -0.47349622      0.79888320
  O     -4.16302422     -2.15149373      3.04313894
  H     -1.16604587     -0.90674627     -0.31490442
  H     -0.42993507     -3.82191854      0.68751231
  O      2.36207121     -3.33195489      0.64081113
  H      1.46777094     -5.81482218      3.05170643
  H     -0.78108291     -3.43717586     -0.76619294
  O      0.41865334     -1.30891333      3.53179550
  H      0.29099973     -6.06048421      4.06158542
  H     -2.74138767      2.49537215      4.89407967
  O      1.79872435     -0.59769354      1.21982781
  H     -2.72004320     -6.22566551      0.80133811
  H     -2.69676679      1.01916683      5.33327198
  O     -0.20837285     -4.00620102     -0.23967773
  H     -4.17710334     -6.69908616      0.58677153
  H     -2.02970259     -3.42522985      5.92131685
  O     -2.59493843      1.61207645      4.56876359
  H     -0.65584704     -5.78182551      0.22992950
  H     -2.85934648     -4.39134114      5.01361998
  O     -2.72240467     -4.10224379      5.92986019
  H     -0.48273720     -6.55782757      1.55221603
  H     -3.93463989     -4.08813166      0.48923358
  O     -3.98938531     -3.13904923      0.32124006
  H      1.88417046     -2.37545966      4.29089469
  H     -4.20256972     -2.71596193      1.16083438
          69
 Energy    -248.16633166070727     
  O     -3.09363370      2.28792162      6.88841142
  H     -3.27707990      1.34422336      6.96432876
  H     -0.34072833      3.00612126      0.27775331
  O     -6.80911308      4.81790405     -0.20299602
  H     -2.35844074      2.37238695      6.26653784
  H     -6.17132952      5.61066757      1.33135982
  O     -0.85617819      3.64451130     -1.39867569
  H     -6.21263917      4.05913653     -0.29904783
  H     -5.99269350      5.22444056      2.81460535
  O     -1.52659992      0.17018781      0.78376357
  H     -7.00839423      5.10709850     -1.09049948
  H     -3.12238536      0.01094304      1.64522002
  O     -4.11695014      2.72776105      2.46367304
  H     -1.58519184      4.23397365     -1.13209609
  H     -3.43632451     -0.22316986      3.13221275
  O     -6.26827099      3.72550703      3.90053758
  H     -0.40397982      4.07181854     -2.12068248
  H     -6.74492796      0.80163342      4.98743042
  O     -4.88452813      2.82442574     -0.19104055
  H     -1.11636480      1.03577353      0.93210328
  H     -6.11775223      1.62613150      6.12703226
  O     -3.97589156     -0.46467655      6.69654137
  H     -1.03941516     -0.45366871      1.33491781
  H     -5.75368259      3.90858194      7.34186542
  O     -2.99757914      5.06970969     -0.56647735
  H     -4.08294309      1.76398338      2.51309624
  H     -4.62198941      3.08276227      6.68594798
  O     -2.78891435      1.50675683     -1.36329879
  H     -4.85697933      3.04610023      2.99701484
  H     -2.15016588      5.08384416      2.63517765
  O     -6.33097435      0.61889204      1.17915895
  H     -6.02802764      3.70544273      4.83644104
  H     -2.68262640      3.64404731      2.71607892
  O     -0.29797450      2.64721038      1.17259100
  H     -6.87868720      2.99384244      3.74034861
  H     -7.25449292      1.06695095      2.59244573
  O     -5.72525069      5.87052348      2.14931440
  H     -4.22152992      2.31804299     -0.68465930
  H     -8.62860642      1.20001446      3.28551479
  O     -3.85103065     -0.03248322      2.28158507
  H     -4.60249256      2.84717535      0.73623929
  H     -1.92430072      0.62559957      4.62318946
  O     -6.23668677      0.72405390      5.80267075
  H     -4.18959169     -1.07946332      7.39289769
  H     -2.79810527     -0.46517709      5.31073485
  O     -5.53893634      3.39070988      6.57077071
  H     -4.82109034     -0.12311821      6.35240384
  H     -0.34476347      1.98025319      4.47364431
  O     -1.89183526      4.18692795      2.87307842
  H     -3.72607163      4.44548115     -0.48357869
  H     -1.43848000      3.04715051      4.26172427
  O     -7.69544219      1.35102507      3.41212093
  H     -3.01871762      5.61936118      0.22663452
  H     -0.97053082     -1.04675252      3.51757653
  O     -2.24283771     -0.28570559      4.54177275
  H     -2.38407598      0.87454735     -0.75540236
  H     -0.00902167     -2.17911964      3.08842686
  O     -1.19113306      2.29877810      4.82077316
  H     -2.10529584      2.16559561     -1.53697345
  H      0.69550434      1.78432539      2.55146103
  O     -0.28664065     -1.29282453      2.87176300
  H     -5.52333732      0.20593620      1.51866374
  H      0.71739874      0.37794159      3.17640387
  O      0.92607862      1.30146933      3.35740045
  H     -6.03489741      1.28289675      0.54855791
  H     -3.02310179      7.46491512      1.99721696
  O     -3.12568748      6.52496464      1.87704300
  H     -0.80433578      3.24744422      1.73832308
  H     -4.07061914      6.32694322      2.01487712
          69
 Energy    -248.16624969406703     
  O      9.91112927     13.10091814    -12.19450498
  H      9.08478858     13.55330332    -12.35035032
  H     12.61330266     12.83667693    -14.09757380
  O     13.74997673      8.86457935    -17.49581537
  H     10.23104981     12.80579553    -13.06206271
  H     16.63859326     10.65671577    -11.91553194
  O     11.35879718      9.03049237    -11.84395704
  H     14.04160049      9.76898323    -17.66940016
  H     15.15765092     10.42443498    -11.51964416
  O     14.32281463      8.99072716    -14.80113110
  H     12.78629012      8.89360783    -17.53957152
  H     14.71022835      8.07655467    -13.19330716
  O     12.77783784     11.72003393     -9.27572508
  H     11.82620119      8.38308761    -11.30346497
  H     15.48377176      8.48762035    -11.92558895
  O     14.49738278     11.63948814    -17.56505067
  H     10.84054237      9.60383411    -11.25958842
  H     13.22002711     14.87080910    -11.51101730
  O     11.60084187      9.46787672    -14.48837587
  H     14.21278414      8.76096753    -15.73582770
  H     13.80468623     16.12511102    -12.20700822
  O     13.46009149      9.23007845     -8.32629540
  H     14.79901875      9.83101128    -14.78540895
  H     13.74805854      7.43825752    -11.07991838
  O     13.46699212     10.95700543    -11.82092742
  H     12.94307380     10.90088333     -8.78585775
  H     12.94760088      6.38880677    -10.26849921
  O     16.31610799     13.79867823    -11.51211027
  H     13.02927248     11.52493360    -10.19412028
  H     17.09673723     12.66265918    -12.53923583
  O     10.17514026     10.95337206    -10.31123411
  H     14.93670276     11.63148116    -16.69881082
  H     18.42760085     12.05989764    -13.05278311
  O     13.51893783     12.93724368    -13.77751401
  H     15.08858086     12.08672985    -18.16602011
  H     11.14360342     11.24078836    -14.45487630
  O     16.06924031     10.15439080    -11.32014105
  H     12.55250274      9.31802264    -14.58553212
  H     11.10906601     12.34075106    -15.52541388
  O     14.91390764      7.79731378    -12.29147605
  H     11.36674467      9.18928101    -13.59177170
  H     14.75564832     12.12912637     -9.12415680
  O     13.87647536     15.17562483    -12.16350000
  H     14.30490498      9.03421029     -7.92495471
  H     15.90140374     11.38743365     -9.83476374
  O     13.06339846      7.32692796    -10.39447585
  H     13.32725875      8.55304869     -9.00527100
  H     14.81479727     12.09286429    -14.59839238
  O     17.48274843     11.93351144    -13.06019221
  H     13.44029837     11.63454391    -12.50771555
  H     16.28927579     11.64723463    -14.43868289
  O     10.98083083     12.18736883    -14.57730210
  H     12.77604731     10.30418625    -11.98522268
  H     12.60986346     12.02581067    -17.37449168
  O     15.69524475     12.18323130     -9.32571384
  H     16.12601313     13.35016908    -10.67473359
  H     11.33418390     11.16988791    -17.36577915
  O     15.51005176     11.54697143    -14.99856955
  H     15.54441345     14.33680754    -11.71556773
  H     12.24141552     13.42274516     -9.93176924
  O     11.65803995     12.06866914    -17.22162291
  H     10.92214126     11.24989659     -9.77775670
  H     11.26103540     13.82719455    -11.06033024
  O     12.00343919     14.14235569    -10.52958590
  H      9.98117624     11.67568701    -10.92179572
  H     10.15296784      8.76749894    -17.32904417
  O     10.93002540      9.29235331    -17.15496743
  H     13.60488284     13.77889472    -13.31240673
  H     11.06442615      9.28269669    -16.19191874
          69
 Energy    -248.16611344825748     
  O     -1.49544310     -2.77167571      0.06517868
  H     -1.07909430     -1.90279710      0.00312101
  H     -2.20705206     -6.27450470      0.97242259
  O     -1.59792721     -0.11362403      6.57964383
  H     -1.02987486     -3.38750934     -0.51596391
  H      2.82612331     -2.72431127      2.86296439
  O     -2.12196778     -0.09817921      2.44075064
  H     -2.30005238     -0.64512777      6.97310892
  H      3.24743782     -4.19664815      3.05746392
  O      2.02862175     -3.48327098      5.93025675
  H     -1.05211741     -0.73268938      6.07338773
  H     -0.24902126     -4.27928929      2.66493920
  O     -3.85225795     -1.79931700      7.26507136
  H     -2.83663082     -0.74540854      2.49613621
  H     -0.98958712     -3.22675400      1.74136966
  O     -0.27383321     -2.10753902      5.15449637
  H     -2.26664340      0.51705881      3.16895389
  H     -2.18974450     -3.99912895      3.37176834
  O      0.08332018     -5.56799898      5.62749231
  H      2.65969877     -3.29820668      6.62037896
  H     -2.85470166     -4.26335192      4.73667622
  O     -4.79075431     -0.50995153      5.06291110
  H      2.50920402     -3.43098495      5.08458858
  H      3.67348037     -6.42281763      1.82093045
  O     -0.31730522     -0.23941031      0.45651520
  H     -4.47359015     -1.69398099      7.98053434
  H      2.78074396     -5.29194472      1.24763059
  O      0.33224576     -5.94083829      2.92060002
  H     -4.25319402     -1.37625882      6.48433387
  H     -4.40564377     -2.30331037      1.86258470
  O     -3.90119254     -5.85757036      1.69545627
  H      0.56216989     -2.49539754      5.44687650
  H     -3.88007363     -2.74874247      3.23245813
  O     -1.29193952     -6.37200067      0.68339043
  H     -0.41034274     -2.38116953      4.23985303
  H      1.43906920     -4.45366432     -0.51276467
  O      3.19290053     -3.34346625      3.50623409
  H      0.79341173     -4.94370450      5.82633867
  H      2.07198915     -3.37607210      0.40368280
  O     -0.62015655     -3.38411360      2.62287343
  H     -0.71576675     -5.18699919      6.00910706
  H      0.90306568     -2.47674674      2.03210753
  O     -3.01023018     -4.30212633      3.78437083
  H     -4.75617507     -0.99875379      4.22923114
  H      1.14580870     -1.23375836      1.17750142
  O      3.00641926     -5.78484155      2.05837551
  H     -4.23444459      0.26710050      4.92953887
  H     -0.61477135     -5.46622197     -0.60936483
  O     -4.22146862     -1.98121268      2.75580819
  H     -0.34776156      0.56764851     -0.04919124
  H     -0.37688161     -5.25320551     -2.12675855
  O      2.22989265     -4.23782639     -0.00381518
  H     -0.95339427     -0.13664708      1.19016909
  H     -2.69861571      2.40093838      4.95289632
  O      1.60284385     -1.97686869      1.58888469
  H      0.23794272     -5.94262636      3.88533421
  H     -2.27765027      0.98461110      5.41217675
  O     -0.22592406     -4.86285689     -1.27040612
  H      1.27154503     -5.99344054      2.70450956
  H     -2.78299202     -3.26411034      6.78728353
  O     -2.74334267      1.47946601      4.71394094
  H     -4.59279384     -6.46960176      1.93567439
  H     -1.47028857     -3.23059984      5.98913217
  O     -2.13391341     -3.83433093      6.35595673
  H     -3.65896499     -5.37971544      2.50632026
  H     -4.23771834     -4.21998321      0.65327645
  O     -4.25121090     -3.30811540      0.33965581
  H     -0.74889611     -6.37719336      1.48338784
  H     -3.33023368     -3.09142866      0.13740108
          69
 Energy    -248.16604019713228     
  O     -7.92381148      2.54546028      0.05204070
  H     -7.19994187      3.00630519     -0.40916818
  H     -4.96473829      0.50086310      4.78629489
  O     -4.47567872      2.34283108     -3.23441335
  H     -8.65815095      3.15229798      0.09167769
  H      0.44169036      2.17212520      1.52077300
  O     -6.09925879      1.43978873      1.84656901
  H     -4.79601001      1.47479116     -2.93090965
  H     -0.51921764      0.97874779      1.71586074
  O     -3.17699808     -1.23938328      2.24149102
  H     -4.85172225      2.48797641     -4.09925478
  H     -1.56345227      2.57535890      0.71253478
  O     -1.31774507     -0.81643132     -1.62494727
  H     -5.40577158      1.17531041      1.21836852
  H     -2.93113354      3.30268121      0.55022725
  O     -5.26368696      0.00499936     -2.10011481
  H     -6.83815335      1.78728509      1.32988065
  H      1.12106626     -0.75765861      0.80278726
  O     -4.81711500     -3.00837863      0.88162780
  H     -3.63203407     -0.74805971      2.93636957
  H      2.11870131      0.37371228      0.50113512
  O     -3.73930003     -2.27631675     -1.48954078
  H     -3.76139497     -1.93783629      1.91520863
  H      2.62598045      2.94657816      0.36385824
  O     -1.80806170      1.84267948     -2.42017377
  H     -0.42292655     -0.99878303     -1.93923096
  H      1.59233296      2.22511162     -0.53208099
  O     -0.73468174     -0.71332107      1.11442227
  H     -1.54666434      0.06864972     -1.94092145
  H     -8.01592179      0.82442227     -0.84696248
  O      1.43079983     -0.99023308     -2.22788474
  H     -4.80555040      0.18241825     -1.26408200
  H     -7.71247669     -0.61316432     -0.39111496
  O     -4.51504059      0.57208146      3.94711987
  H     -6.20727233     -0.06575714     -1.89121264
  H     -3.11974118      2.00051927      3.73477745
  O     -0.40194762      1.91916134      1.91715174
  H     -4.43220210     -2.80020991      0.01067645
  H     -1.80118772      2.49976726      3.09601933
  O     -2.25369693      2.80515908      0.07469862
  H     -4.95725933     -3.95142276      0.90221835
  H     -6.34836123     -1.89436599      1.12566376
  O      1.98369611     -0.57695290      0.40371784
  H     -2.85622593     -1.89131273     -1.56197541
  H     -6.77467031     -0.49031108      1.60738878
  O      1.91710394      2.30919444      0.38237083
  H     -4.33353463     -1.63374904     -1.89906146
  H     -3.36048551      1.34195602      0.20284872
  O     -7.83341750     -0.06223067     -1.17841131
  H     -2.63285497      2.02749024     -2.88229123
  H     -3.61940515     -0.04617736      0.86570436
  O     -2.64448193      2.79381134      3.46478949
  H     -1.90074655      2.27253332     -1.55480063
  H     -5.21302352      3.35585786     -1.73722610
  O     -7.10823328     -1.30663401      1.22300729
  H     -1.49910812     -1.03067068      1.61271117
  H     -5.13618659      3.98312431     -0.31386099
  O     -4.00364832      0.62758171      0.29166759
  H     -0.97258920     -0.75217098      0.17692927
  H     -5.07636537      3.19435267      1.70922341
  O     -5.73884666      3.73290132     -1.02197722
  H      2.03511162     -1.58335231     -2.66521927
  H     -3.74129369      3.64403062      2.30247179
  O     -4.35644522      3.81896994      1.57098651
  H      1.71943402     -0.92408858     -1.29975853
  H      0.07728277      1.95367994     -2.37740929
  O      1.00927857      1.84896632     -2.14700313
  H     -5.16067423      0.92653158      3.31425290
  H      1.22141862      0.92516176     -2.32956307
          69
 Energy    -248.16598900524042     
  O     -8.32246675     -2.36652187      5.68692303
  H     -7.49826246     -2.03490272      6.06597879
  H     -2.92295770      1.12053675      2.53937152
  O    -10.16925016     -2.28074784      2.42880303
  H     -8.86868760     -1.60211114      5.47685764
  H     -6.79458646     -0.77956062      3.06525383
  O     -8.25911877     -4.04163972      3.58218668
  H    -10.20986672     -1.62046749      3.13474767
  H     -7.15509812      0.68602617      2.64379030
  O     -5.21620284      0.58899871      0.34789288
  H     -9.60241688     -2.98763490      2.75925798
  H     -5.27432376     -1.82904720      7.34121837
  O     -6.62242996      1.11411494      5.87363038
  H     -8.33110889     -4.95461002      3.84616410
  H     -5.23171349     -1.53244426      5.82253252
  O     -4.58817505      5.18705459      1.14295743
  H     -8.27955593     -3.50791531      4.39864080
  H     -0.67678944      2.38933948      2.08462634
  O     -9.98188465      1.34846812      1.80855912
  H     -5.62065175     -0.22434856      0.03274951
  H     -1.97565099      3.11183074      2.52074909
  O     -4.37225158     -1.61822133      4.30578548
  H     -5.96262225      1.15529614      0.60615863
  H     -8.43597507      3.98534061      3.37365803
  O     -3.59820856      2.90941884      0.00443534
  H     -6.81091988      0.78865032      4.97878863
  H     -9.66420587      3.17363137      2.91183648
  O     -9.75401609     -0.20850799      4.26376223
  H     -6.30771648      0.33994671      6.35438976
  H     -6.92984419     -3.07229398      2.74432497
  O     -6.93568618     -1.66951334     -0.23253074
  H     -4.50899987      5.92027133      0.53860449
  H     -6.45681715     -2.29563901      1.47765449
  O     -3.74368200      0.66494187      2.76643874
  H     -4.27680725      4.39628021      0.66775719
  H     -9.85536759     -1.51482483      0.93316745
  O     -7.18615195      0.04857838      3.36714044
  H    -10.06958885      0.91276476      2.66605959
  H    -10.34707027     -1.15053979     -0.48988009
  O     -5.78485437     -1.46699294      6.62211771
  H     -9.97397712      0.63621893      1.15722379
  H     -8.43790348      1.78825886      6.05270326
  O     -1.62627943      2.35900272      2.00989769
  H     -4.04461139     -0.82449499      3.86265446
  H     -9.38168824      2.65548949      5.19044361
  O     -9.31034901      3.67972555      3.64849757
  H     -4.90444800     -2.07485110      3.64112363
  H     -3.42335222      4.81169719      2.65475151
  O     -6.27252342     -2.44604212      2.41213809
  H     -2.83021943      2.69533162      0.54940646
  H     -3.53975629      3.88404376      3.87808051
  O     -9.64112299     -0.99744861      0.13391673
  H     -4.11712834      2.09740651     -0.04915484
  H     -5.41632910      2.25153884      5.07833420
  O     -9.36847200      1.94826308      5.85235514
  H     -8.84997302     -0.18287642      3.90831642
  H     -4.53015762      1.95219813      3.84379189
  O     -2.90093508      4.35962335      3.32873931
  H     -9.80509982      0.51664664      4.90573403
  H     -7.09287021      2.77719093      1.78390597
  O     -4.88701651      2.66931220      4.38703428
  H     -7.85538405     -1.37638135     -0.13597200
  H     -8.28006752      1.83968638      1.39786630
  O     -7.32528532      1.96091257      1.31900211
  H     -6.90132511     -2.20017840     -1.02570639
  H     -6.05317668      3.68575785      3.42787493
  O     -6.61459287      4.15705295      2.79437138
  H     -4.24008120      0.56299670      1.94324401
  H     -6.01763968      4.65076706      2.21813185
          69
 Ord_Energy   -248.165863    
 O    7.80968571       1.88340080       1.38002074    
 H    8.44900990       1.17669630       1.36696327    
 H    7.64372826       2.09494567       2.31700397    
 O    3.06228852       3.32666755       5.49643183    
 H    3.72853541       2.63959455       5.36877394    
 H    3.51154423       4.16692162       5.34225798    
 O    5.27747154       7.61337996     -0.763378739    
 H    4.40790606       7.24896049     -0.968958020    
 H    5.91708660       7.01396608      -1.16546142    
 O    4.84183788       1.18876016       4.82382488    
 H    4.19233036      0.921963155       4.14938736    
 H    4.93286610      0.446923941       5.41766119    
 O    2.93935919       6.02647448      -1.11317933    
 H    2.09107280       5.57996178      -1.24831223    
 H    3.60840106       5.36929750      -1.35039079    
 O    3.56868529       7.89905739       3.41511941    
 H    3.22390890       8.75031662       3.66891599    
 H    4.36981392       8.06593132       2.88249922    
 O    5.75430441       8.18735218       1.89761555    
 H    5.59246731       8.07872581      0.948293149    
 H    6.45685053       7.56514835       2.11992359    
 O    4.79232454       4.01324654      -1.82741046    
 H    5.02012014       3.51012397      -1.02978098    
 H    5.56561804       4.55393553      -2.03025508    
 O    4.56778765       5.57345104       4.71652842    
 H    4.19315577       6.42796803       4.47211123    
 H    4.70685530       5.10645390       3.87522006    
 O    2.76966119       1.44277799      0.405106366    
 H    2.25174332       2.17217422      0.781944871    
 H    2.68418598       1.52549386     -0.551791370    
 O    2.68904448       2.28147507      -2.32144213    
 H    3.44284701       2.89322329      -2.27592230    
 H    2.69769025       1.90259540      -3.19695210    
 O    1.26136458       3.51478529       1.48425913    
 H    1.03160930       3.18912816       2.36299300    
 H    1.68503606       4.37672043       1.60788739    
 O    7.20556641       2.45601678       3.94379544    
 H    7.27446651       3.30237865       4.39886141    
 H    6.39176655       2.03823590       4.25503492    
 O    7.23502493       5.05049896       5.19453859    
 H    6.29451466       5.29345274       5.16443586    
 H    7.56583023       5.33639383       6.04219007    
 O    5.29526091       2.55635071      0.427699775    
 H    6.10168314       2.11328149      0.717342854    
 H    4.52534008       1.98104370      0.525691390    
 O   0.938783705       2.44543052       4.06278849    
 H    1.64905488       2.82660007       4.60984468    
 H   0.182724670       2.33132076       4.63211536    
 O   0.823465645       4.23750353      -1.25366557    
 H    1.30361688       3.53045106      -1.70111120    
 H   0.764813900       3.96364641     -0.328909010    
 O    4.96195793       4.63587236       2.18908548    
 H    5.08899117       3.87030363       1.61688769    
 H    4.15492058       5.08353567       1.90185463    
 O    2.59398341       5.93398857       1.62463784    
 H    2.79391408       6.70664167       2.16560864    
 H    2.71777725       6.15118742      0.688866794    
 O    7.05665445       5.63489723      -1.91367030    
 H    7.72544479       5.90537119      -2.53708243    
 H    7.52377558       5.23483658      -1.15829539    
 O    8.27119923       4.52737713      0.243942767    
 H    8.19043732       3.62010431      0.556644559    
 H    8.11793327       5.08715487       1.01823628    
 O    7.38486671       5.94231653       2.47534871    
 H    6.53592396       5.50985384       2.28423166    
 H    7.57060671       5.74114418       3.39845562    
 O    2.86060929      0.558490098       3.07944870    
 H    2.84805989      0.669356585       2.12073278    
 H    2.11639237       1.07669950       3.41198540    
          69
 Energy    -248.16557885058455     
  O     17.49209122      8.37293250    -16.40997054
  H     17.87986738      8.31360773    -15.52652649
  H     16.09416909      5.87271633    -17.77311970
  O     17.14745666      1.84486739    -13.06246488
  H     16.53737426      8.43636435    -16.28325553
  H     18.84823604      1.98812681    -13.06046081
  O     20.79532195      6.33741393    -13.52254068
  H     16.86764295      1.87300178    -13.99102075
  H     20.18630976      1.36717659    -12.60021187
  O     14.19010699      3.46440774    -16.49092973
  H     16.45361341      2.25878391    -12.54067473
  H     12.77705192      6.29316275    -10.86880735
  O     18.47996579      4.03283951    -16.46039715
  H     20.33333537      5.86548390    -12.81506575
  H     13.31183381      7.72026049    -10.63649643
  O     13.11048360      4.57531076     -9.99002171
  H     20.96119347      5.65319155    -14.17857312
  H     19.41190344      3.76524260    -12.17851294
  O     16.34129390      7.91399973    -11.97837768
  H     13.43490902      3.17913000    -16.99736512
  H     18.46965730      4.82592329    -12.78214384
  O     16.88893507      5.47168870    -10.64505617
  H     14.52632365      4.27517083    -16.91480840
  H     14.41222744      4.14668120    -14.78532303
  O     17.96779198      6.27435092    -18.04025630
  H     19.38459004      3.98257641    -16.12592553
  H     14.73920797      4.13695877    -13.23740156
  O     17.38443624      5.23474590    -14.20075182
  H     18.41450743      4.78040230    -17.06941494
  H     19.33710577      7.51193507    -13.74048069
  O     20.90050847      3.76549883    -15.06035037
  H     12.45928951      4.18807934     -9.41049202
  H     17.95910626      6.90739909    -14.02411898
  O     15.17443807      5.77423263    -17.50221370
  H     13.75600134      5.03035835     -9.41919688
  H     13.52275214      7.34291429    -12.82763313
  O     19.81417648      2.12788915    -13.03794683
  H     17.12431648      8.03126442    -12.53199340
  H     14.27100723      6.36596704    -13.77411381
  O     12.75536386      7.19099211    -11.22143617
  H     15.59914345      7.73459247    -12.57367498
  H     14.38249343      3.65424603    -11.09653990
  O     19.07835242      4.65888795    -12.04357249
  H     16.70848958      6.30263885    -11.10462689
  H     15.83016724      4.11861216    -11.29873080
  O     14.65907314      4.68917475    -14.02735299
  H     17.75980430      5.17538590    -10.94201743
  H     15.73368391      2.43980432    -16.07154213
  O     18.40654979      7.75055167    -13.84221157
  H     18.29139030      6.58899533    -18.88005653
  H     17.25590242      2.66558090    -16.10522495
  O     14.12826180      7.30609801    -13.58189237
  H     17.86954272      7.05620600    -17.46685280
  H     14.92073645      6.91453443     -8.81184890
  O     15.17661517      3.47721437    -11.61586301
  H     16.44230850      5.03359055    -14.15987040
  H     15.78647558      5.70620091     -9.17808234
  O     16.56989859      2.08582887    -15.74787189
  H     17.73188629      4.80390731    -14.99185005
  H     14.92936060      9.49947031     -9.48235658
  O     15.02267470      5.96988572     -8.64393876
  H     21.73707575      3.39453189    -15.33284574
  H     15.42804344      8.46057774    -10.50953467
  O     14.81247279      8.59765596     -9.77022433
  H     20.55115747      3.17647104    -14.37225745
  H     14.02427914      8.88611067    -16.35282749
  O     14.65907227      8.22288313    -16.09297193
  H     14.93962807      6.59674243    -17.05530496
  H     14.43237886      7.96320807    -15.18414778
          69
 Energy    -248.16550288526625     
  O     -0.33866120      5.11700492      2.81389745
  H      0.55363633      4.88321920      3.09787804
  H     -0.93780894      4.07690544     -0.13645691
  O     -0.02994058     -1.39658474     -3.37458768
  H     -0.69600789      4.33028836      2.37774136
  H      1.78598254      6.28791169      0.72784515
  O      1.80412766      3.09735545     -3.99882989
  H     -0.27733883     -2.13042965     -3.93058943
  H      2.58747254      5.19401100     -0.00015476
  O     -3.69578324      1.71215871      1.88234428
  H      0.43541853     -1.77006507     -2.60403376
  H     -2.83328544     -1.55064325      0.80326391
  O      2.46873582      1.79981182      2.50516211
  H      1.94095482      2.13442900     -3.94525409
  H     -3.04131096     -2.96736202      1.39346727
  O     -1.55481786      0.61173736     -2.14133270
  H      2.12767095      3.37398460     -4.85181685
  H     -0.06761777      3.11909298     -3.53763954
  O     -2.29477114     -0.07607682      3.36631093
  H     -3.23016903      1.11013380      2.49147587
  H     -0.95756892      3.71540659     -2.43046322
  O      0.05323479      0.91654396      0.07808214
  H     -4.49333475      1.99106135      2.32380898
  H      2.73411505      0.08513914     -3.09577008
  O      2.74585375      1.60682804     -0.17622122
  H      2.41015044      2.70185395      2.84448662
  H      1.36889422     -0.16783661     -3.75844410
  O      0.59505453     -0.12107818      3.60242560
  H      1.79099740      1.27589454      2.94565562
  H     -2.83509919      0.07078281     -0.92585141
  O      2.42101304      4.53374762      3.20909579
  H     -1.10833252     -0.07012634     -2.65832992
  H     -3.57054826      0.49939034      0.37282893
  O     -0.62154055      4.66198449     -0.84035436
  H     -1.42100038      1.46621180     -2.57920774
  H     -0.20715375      6.33203836      1.56459797
  O      2.59262910      5.75978767      0.78284802
  H     -1.35226912      0.03229886      3.53807530
  H     -0.41856569      7.75016758      0.97857644
  O     -2.48683722     -2.19455668      1.44891771
  H     -2.38035132     -0.88074914      2.83838752
  H      2.22249989     -1.75977343     -1.27958775
  O     -0.95188536      3.07587494     -3.15528732
  H     -0.45250529      0.83718902     -0.74274671
  H      1.05412799     -2.13226136     -0.33531362
  O      2.12959668      0.42527445     -3.76666652
  H      0.96531245      1.15393763     -0.13031001
  H      3.37295480      0.23992217     -1.01963963
  O     -3.37920254     -0.25550530     -0.19623677
  H      2.59437644      2.47987762     -0.56189976
  H      4.56944588     -0.66124518     -1.40928871
  O     -0.04135368      6.89643528      0.78673459
  H      2.73345335      1.68426687      0.79125543
  H      1.12446547      4.20148657     -1.16175943
  O      1.39119316     -2.24963045     -1.23196234
  H      0.97586741     -0.63965173      4.30841575
  H      2.08363930      3.77611238     -2.29679013
  O      3.63473843     -0.53557861     -1.54808790
  H      0.56727085     -0.69895066      2.82133953
  H      0.13293731     -0.66363665      0.83179071
  O      2.05160720      4.00331153     -1.35889377
  H      3.02726253      4.94744006      3.81807071
  H     -0.67335449     -1.90212002      1.30860466
  O      0.21897052     -1.53471856      1.25541992
  H      2.55999848      4.96119960      2.34473112
  H     -0.77911909      2.24074323      0.96312081
  O     -1.30294104      2.99430509      1.27020212
  H     -0.50472398      5.53003077     -0.43597220
  H     -2.18685990      2.65901703      1.46273444
          69
 Energy    -248.16536532084660     
  O     -0.00444309      2.75720864      3.10728215
  H      0.77300787      2.23734040      2.87072039
  H      1.20413123      1.36812152     -0.65335235
  O     -3.04671773      5.18038352      0.67331630
  H     -0.68107973      2.58661045      2.43873601
  H     -0.98355222      4.79018533     -2.43112273
  O      1.85987411      7.83339558      1.15587756
  H     -2.85084754      5.74058553      1.43353625
  H     -1.56170124      3.70346872     -3.36204909
  O     -1.28971879      6.04611185     -1.25869375
  H     -2.52619028      5.53680491     -0.06216658
  H     -0.99314886      9.53036182     -1.96169711
  O      2.68595543      4.08709385     -0.66742554
  H      2.42471264      7.34798923      1.76869126
  H     -0.73936229      8.83466049     -0.60133179
  O      0.57912928      5.38932710      0.62041782
  H      2.20266816      7.77608664      0.25071674
  H     -2.97990478      1.31627540     -2.83895851
  O     -2.08226667      6.81098619      2.78692783
  H     -0.61508011      5.80312124     -0.60345820
  H     -1.84490656      0.87323734     -1.91145018
  O     -0.47216073      1.90145998     -1.18124716
  H     -1.16106605      6.97889427     -1.46887476
  H      3.31219721      3.04967102      2.19980852
  O      0.16401424      5.41130272      3.43072856
  H      1.92282773      4.45255052     -0.19447568
  H      3.54886238      3.98522556      0.99906801
  O     -1.96341546      2.61650117      1.08465060
  H      2.59205554      4.39334721     -1.57550671
  H     -4.17972120      4.21750958     -0.50651998
  O     -0.74502462      8.76842249      1.12735642
  H      0.34681786      5.13502218      1.51965320
  H     -4.54322029      2.73505161     -0.69277831
  O      2.11222486      1.35894748     -0.32164822
  H      0.99293852      6.26050069      0.70455040
  H     -3.96097630      3.26639308     -4.25546829
  O     -0.73294112      4.05606643     -3.01524098
  H     -1.28910828      6.32931198      3.08065684
  H     -3.78071737      3.33965180     -2.72243761
  O     -0.65087460      8.73323310     -1.56750914
  H     -2.54188004      7.08537677      3.57691174
  H      2.73368874      0.58278124      2.69567748
  O     -2.72031807      0.61221037     -2.23274184
  H     -0.46871442      2.64248970     -1.80003515
  H      2.27913822      1.29007363      1.39674813
  O      3.68593041      3.90430684      1.95236528
  H     -0.92229593      2.20140865     -0.37899342
  H      2.21029920      5.05188830     -4.03948435
  O     -4.53113075      3.58676695     -1.14737741
  H      0.12440581      4.44086521      3.46981941
  H      0.95904906      4.71812155     -3.20240151
  O     -3.33493101      3.10132760     -3.55528569
  H      1.08762184      5.68300864      3.47876649
  H      3.55452440      6.38873852      3.87516442
  O      2.37313450      1.39913432      2.36065135
  H     -2.69045372      2.01010205      0.89376429
  H      3.24542181      5.35068536      2.77091658
  O      1.83695362      5.13041233     -3.16442433
  H     -2.32053270      3.51026252      0.99058094
  H     -4.61439405      0.29590225      0.36251988
  O      2.92919200      6.17211298      3.18884626
  H     -1.25445935      8.16539050      1.67943890
  H     -3.64089585      0.77012087     -0.74432403
  O     -4.08325349      1.03575597      0.08199991
  H      0.18825763      8.55266565      1.27562182
  H      1.16534310      8.04553012     -1.70514344
  O      2.01281298      7.59857524     -1.58265664
  H      2.44988090      2.24200424     -0.52396212
  H      1.97923994      6.80921295     -2.13374544
          69
 Energy    -248.16530444826688     
  O     15.79845871     11.99282260    -11.81393002
  H     16.60183306     11.79508054    -11.31538337
  H     16.73535371      4.12412936    -13.34468839
  O     14.21662634      6.47250418    -13.63011948
  H     16.08428933     12.04121524    -12.73307130
  H     19.20596013      9.72178792    -13.45667377
  O     16.83517146      6.00894470    -10.21061342
  H     13.95532327      6.46252393    -14.56186610
  H     18.44154493     11.04750571    -13.73641754
  O     18.93221826      7.90810991    -13.79927465
  H     13.64419669      7.10861348    -13.18198710
  H     15.62819908      7.62122124    -13.55780949
  O     13.22132831      8.10281277     -8.89549472
  H     16.25229349      5.90406538     -9.44945844
  H     15.92911006      9.02153048    -14.13585691
  O     12.62907241      8.49909695    -12.52274085
  H     16.86195045      6.96261795    -10.38506602
  H     13.93447558      4.49008518    -10.98873056
  O     16.77208285      8.67290734    -10.81028409
  H     17.97829078      8.06471560    -13.72411512
  H     13.77215274      5.01812832     -9.55314480
  O     16.02994301      7.77299311    -17.19989616
  H     19.12810804      7.20618423    -13.16094299
  H     11.81568599      9.96309005    -15.26563760
  O     11.46383674      6.72315529    -10.72023748
  H     13.53497893      8.85497773     -9.41346241
  H     12.55244557      9.14919335    -14.17909142
  O     17.73879402      6.26229745    -15.75709741
  H     12.51175912      7.70639889     -9.41550790
  H     18.39752490      5.74664642    -11.35163234
  O     13.48295085      6.92943618    -16.23175220
  H     12.10432620      7.92777633    -11.94687688
  H     18.61213009      5.06906538    -12.71611046
  O     17.48918334      4.04584494    -13.95261313
  H     13.20173102      9.03495031    -11.95354467
  H     14.98679208      5.20198746    -12.70482335
  O     19.12725748     10.64758418    -13.18817114
  H     16.62518858      8.62889361    -11.76832424
  H     15.95953429      5.05321438    -11.49020153
  O     16.22192393      8.37961592    -13.48018888
  H     17.35015773      9.42821960    -10.64597271
  H     14.28553947      6.77855976     -8.41529382
  O     13.27343965      4.73934278    -10.33197992
  H     16.32090941      7.72927840    -18.10697659
  H     14.79428771      5.83542855     -7.30078081
  O     12.60667505      9.45608197    -15.10001740
  H     16.63536129      7.20648074    -16.68784867
  H     16.99104023     12.68552421    -15.06830106
  O     18.99612727      5.71195393    -12.10761829
  H     12.07114987      5.96567065    -10.63781784
  H     16.33057288     11.29224577    -14.98525790
  O     15.46671874      4.55662765    -12.16104444
  H     10.58531225      6.38803702    -10.56266871
  H     15.09138252      9.36748669    -10.69707591
  O     14.79047782      5.96345138     -8.24567461
  H     17.60773458      5.45788503    -15.24175882
  H     14.61029956     10.74359966    -11.14708992
  O     16.89616481     11.91954452    -14.50667604
  H     18.31931142      6.81986825    -15.22226992
  H     18.94302015     11.39436451    -10.09545373
  O     14.28813867      9.89607803    -10.81112505
  H     14.31304884      7.15108225    -16.67360583
  H     18.66793752     10.91181047    -11.54110276
  O     18.26804113     11.02818217    -10.65953225
  H     13.06704081      7.77078011    -16.00708330
  H     14.36921615      9.88618551    -15.47890267
  O     15.32105678      9.97477547    -15.61929054
  H     17.62374212      3.11277466    -14.10003650
  H     15.59353295      9.27654978    -16.23115262
          69
 Energy    -248.16500379048603     
  O     11.78768156      7.65587796    -16.01786512
  H     11.53770962      7.40326995    -15.11223842
  H     19.50161887      7.67254614    -13.82235330
  O     16.54878284      6.22487926    -12.08435853
  H     10.97917054      7.90597545    -16.45569723
  H     16.76031605     11.90948756    -13.98186629
  O     17.74560576     10.30708062    -10.77906196
  H     16.49065855      7.17993588    -12.24644508
  H     17.37678553     10.82046991    -14.88278927
  O     16.96012692      9.10544826    -15.41075800
  H     17.39009390      6.07839731    -11.63785084
  H     15.43020953      9.20562133    -12.75498466
  O     13.42573840     10.14436430     -9.34394325
  H     18.52278470     10.58813446    -11.27296848
  H     16.71669817      8.97127661    -13.55984509
  O     14.14199213      6.13159062    -10.70785265
  H     17.23385527      9.77039155    -11.40584919
  H     11.72312082      6.07741769    -13.20911700
  O     14.98790341     12.26779470    -13.32503956
  H     16.09659048      8.71111503    -15.59947550
  H     11.57337561      7.52102030    -12.71191282
  O     17.22975433      5.01835432    -15.92048150
  H     17.63720931      8.43947660    -15.58109149
  H     17.65062952      8.91944566     -9.52280209
  O     14.78369917      7.68398281     -8.59622293
  H     14.10194868     10.71529466     -9.74960592
  H     18.04037126      7.43915275     -9.56645661
  O     18.94316708      7.11993584    -15.57846360
  H     12.98409362     10.67149580     -8.68339681
  H     12.54977183      3.81743500    -12.30660303
  O     15.07784481      5.44531728    -14.23965326
  H     14.28817795      6.56855795     -9.85421753
  H     13.26141100      5.11279107    -11.85447006
  O     19.74752583      7.94550858    -12.93112213
  H     15.00843407      6.10317331    -11.13649165
  H     20.40187643     11.41922853    -12.88354503
  O     17.59536629     11.59904993    -14.35104245
  H     14.43987016     12.95070601    -13.70425543
  H     18.95863511     11.14410645    -13.36479456
  O     16.33345985      8.87595978    -12.67796452
  H     14.50791978     11.42953260    -13.44122764
  H     19.78225542      5.81662225    -10.59478133
  O     11.30652398      6.92180731    -13.42009917
  H     16.42828289      5.08993372    -15.37870141
  H     19.34487966      6.93791941    -11.56692347
  O     17.49816732      8.07231087     -9.08372587
  H     17.06243345      4.31488907    -16.54274594
  H     16.21386340     11.30821557    -10.49887416
  O     12.87060020      4.65853277    -12.62191622
  H     15.74063666      7.81244767     -8.68589073
  H     15.20962964     11.99718165    -11.44209657
  O     19.67740423     10.80497097    -12.80148999
  H     14.37727804      8.54804241     -8.72188250
  H     13.54230015      7.84068899    -15.83228183
  O     19.03633089      6.35068548    -10.85311759
  H     18.37703420      6.33657992    -15.68473124
  H     14.64405661      7.05995601    -15.06865461
  O     15.31797619     11.66925264    -10.54215785
  H     19.62271293      7.05807914    -16.24586391
  H     12.78340867      9.04566125    -10.68450483
  O     14.44459709      7.90844849    -15.48554516
  H     15.66466405      5.66462162    -13.49776012
  H     13.16693389      7.64048317    -11.19951236
  O     12.65256169      8.42988514    -11.41763527
  H     14.27744372      5.07783972    -13.84848473
  H     13.94832999      9.17574673    -14.21721957
  O     13.82515325      9.80111146    -13.49066324
  H     19.76137091      8.91042805    -12.91996735
  H     13.31299361      9.35709438    -12.80040993
          69
 Energy    -248.16496142486966     
  O     16.35585347     10.86651322    -10.54491882
  H     17.01327424     10.32678995    -11.00982104
  H     13.62263923      9.77215757     -6.80559701
  O     14.86203953      5.00228606     -7.34028655
  H     15.53077915     10.72135696    -11.02934664
  H     17.79037067      4.79807332    -14.15143177
  O     12.59098297      6.73066247     -7.72153511
  H     14.92477704      4.16346405     -6.89202774
  H     16.82814873      5.91713719    -13.71362816
  O     14.23709740      9.97348809    -12.08117464
  H     15.30303107      5.65842954     -6.77103828
  H     15.62055995      7.10916679     -9.42734056
  O     17.98993256      9.18246499    -12.03471628
  H     12.97967497      7.50609677     -7.29282134
  H     15.33006427      5.64127033     -9.03176518
  O     20.33613143      9.80378653    -10.80574966
  H     13.23562449      6.02400681     -7.60656151
  H     18.27222584     11.75510875     -6.00692149
  O     18.00004359      6.55747886    -11.01523648
  H     14.09886125      9.02931573    -11.91009015
  H     17.21230304     11.50957159     -7.10733810
  O     11.52172815      7.57564912    -10.04908177
  H     14.77220122     10.01474275    -12.88329368
  H     16.61246142     10.16651539    -14.79467358
  O     15.77135213     12.00029992     -7.97347031
  H     17.89621162      8.26716666    -11.74134239
  H     16.91805442      9.51475535    -13.42647846
  O     12.39819370     10.29248100     -9.94736085
  H     18.87718723      9.46262647    -11.76406241
  H     16.68385997      8.61008816     -8.23822805
  O     13.02820052     11.41150358     -7.56388507
  H     20.01077150     10.56650374    -10.30381794
  H     16.03451992      9.47059066     -9.36277747
  O     14.04370207      8.90855433     -6.73655579
  H     20.31349789      9.05684282    -10.19648572
  H     18.10544251     11.77259964     -9.84392607
  O     17.64600533      5.44965761    -13.47141867
  H     17.16475121      6.34104795    -10.57866027
  H     18.81107859     11.65908512     -8.49200455
  O     15.55298416      6.20617926     -9.78026996
  H     17.99830997      6.09798193    -11.86832094
  H     15.30347666      7.70006581     -5.92037409
  O     18.07654308     11.21431985     -6.76781094
  H     10.62272832      7.26656446    -10.12063949
  H     16.79971826      7.42439090     -6.17770345
  O     16.21596345      9.67396898    -14.08069199
  H     11.87337768      7.22974326     -9.20867216
  H     12.94458584      7.28013382    -11.21796719
  O     15.89707683      8.70584488     -8.79484516
  H     14.83578092     11.86496029     -7.77964504
  H     14.40077377      6.78783637    -11.05497988
  O     18.97491964     11.79723989     -9.43283768
  H     15.88800439     11.77218453     -8.90343247
  H     20.52029670      6.81421094     -9.05044905
  O     15.98052952      7.01149437     -5.87595104
  H     12.02024173      9.40417744     -9.95399870
  H     19.21465986      7.09083621     -9.82697750
  O     13.80019179      7.24197754    -11.66307469
  H     12.94187738     10.35134971    -10.74217892
  H     18.78109960      8.15047062     -7.77629470
  O     19.82519893      7.45841003     -9.16492827
  H     12.77153056     11.03981485     -8.42751732
  H     18.21857486      9.37802590     -6.97205312
  O     18.09634103      8.43679583     -7.15807437
  H     12.33186579     12.00841204     -7.30400188
  H     14.74299458      6.94420687    -13.27314185
  O     15.39295005      6.92102801    -13.98745114
  H     14.65312669      8.86165067     -7.49008608
  H     15.62640773      7.84026616    -14.16242042
          69
 Energy    -248.16483440056493     
  O     10.77807990     11.86606621    -10.15888984
  H     11.10110274     12.77368128    -10.03084327
  H     12.90260788     13.49096892    -12.99851635
  O     12.12612045      7.54223745    -16.14893176
  H     10.41216511     11.79800832    -11.04849693
  H     16.14789474      9.42881412    -11.07735063
  O     11.30805495      8.08354103     -9.82289889
  H     12.04156342      6.77903703    -16.71315308
  H     16.48443079     10.62617377    -10.18028926
  O     13.54374580      8.36793260    -13.85918645
  H     11.24831796      7.70459332    -15.75798046
  H     14.29881700      8.29068101    -12.21502799
  O     13.92548771     13.91580131     -7.92463330
  H     12.12526125      7.67296341     -9.51732703
  H     14.05452141      9.40334266    -11.17465067
  O     12.35919860     10.37682611    -16.52216339
  H     11.10984555      8.76437931     -9.16886603
  H     13.75363788     15.86339465    -12.36084968
  O     11.07410115      8.77778079    -12.48137813
  H     13.88102652      9.23164075    -14.13995045
  H     14.34553574     14.54166551    -11.81298754
  O     13.88646113      9.84180763     -7.63114916
  H     13.15976864      7.95150633    -14.63959506
  H     14.22305397      7.67558708     -9.83418939
  O     13.31625448     11.05501027    -11.07734622
  H     14.11392805     13.93684957     -6.98917488
  H     14.39903758      6.48127852     -8.86656722
  O     15.72835912     13.55974457    -11.38063790
  H     14.41894960     13.16133691     -8.27650945
  H     17.68613913     11.69829099    -13.53907074
  O     11.05793707     10.26399987     -7.98721382
  H     13.15825584     10.61929314    -16.03873339
  H     16.87873090     11.01710017    -12.41052248
  O     12.78088112     12.60185549    -13.35303578
  H     12.34971840      9.41150986    -16.54743091
  H     10.00341455     11.39651162    -13.81241684
  O     16.82043150     10.10655574    -10.91979836
  H     11.11449166      8.48327802    -11.56027631
  H     10.57213429     10.48332415    -12.70568188
  O     14.52710049      8.56808127    -11.31835813
  H     11.94417217      8.63981948    -12.87599353
  H     14.54744676     11.57615054     -9.90085412
  O     13.52015763     14.98018299    -12.08806131
  H     13.96940294      8.93827561     -7.96024794
  H     14.86920622     11.06422122     -8.49530771
  O     13.94031838      7.30973339     -8.97783864
  H     12.94130992     10.03804355     -7.65936578
  H     13.84160064     11.55128996    -14.26178774
  O     16.80406041     11.59677824    -13.18934707
  H     13.31239996     11.57810731    -11.88782149
  H     15.31323501     11.09002331    -14.25983648
  O     10.31133802     11.39874611    -12.89772540
  H     12.45621889     11.20711873    -10.66632880
  H     10.75596551     10.89314947    -15.98236184
  O     15.16811005     11.70067777     -9.16439464
  H     16.10621565     12.96227759    -12.03822801
  H      9.38994712     11.52125355    -16.34177015
  O     14.44824115     10.89254138    -14.63658307
  H     15.73885502     13.08420924    -10.54379355
  H     12.56433812     14.24535708     -9.10212481
  O      9.85514510     11.05713629    -15.65089850
  H     10.37923613     10.41410128     -7.33391946
  H     12.40133827     14.62835810    -10.58682777
  O     11.91978840     14.29143512     -9.82283384
  H     10.87980043     10.87980495     -8.71906575
  H     10.09093694      8.32520786    -14.00472202
  O      9.81115968      8.26273737    -14.92939000
  H     11.86795395     12.31889617    -13.20468144
  H      9.63860189      9.16982294    -15.20927139
          69
 Energy    -248.16476888345682     
  O     -7.42253259     -4.18121581     -0.28864322
  H     -7.26083799     -4.61212982      0.54661955
  H     -0.33656410     -1.06371785     -4.04726617
  O     -2.98847970     -0.04070987     -2.70520358
  H     -6.78229786     -3.45198035     -0.35721990
  H     -2.54933974     -4.41514383     -4.42894114
  O     -5.07208461     -2.15321018     -5.65590357
  H     -3.52803485      0.58301757     -2.20640923
  H     -1.40389177     -5.32199122     -4.92178624
  O     -9.27454084      0.14141299     -0.81732251
  H     -3.13909260     -0.92405749     -2.33972409
  H     -6.94327072     -4.82756996     -2.08200967
  O     -3.10383057     -0.23685681     -5.45039027
  H     -4.37078049     -1.48424595     -5.64801063
  H     -7.40869962     -4.37622086     -3.46968728
  O     -0.63767918     -3.36413498     -2.09946093
  H     -5.76425853     -1.83064827     -6.24271254
  H     -6.03840455     -1.83715309     -1.64115861
  O     -4.25567593     -4.17267188     -3.98769694
  H     -9.99743476      0.59892350     -0.39436530
  H     -4.79110511     -2.34344797     -0.89742327
  O     -0.86727376     -1.93314944     -5.73943072
  H     -9.27455724      0.42607986     -1.74826470
  H     -6.44590807      0.38678058     -3.46253215
  O     -9.15203317      0.91504333     -3.42348628
  H     -3.07984022     -0.08822743     -4.49211341
  H     -5.83429534      1.67617940     -2.87236941
  O     -6.47695076     -1.40371209     -3.33972157
  H     -2.30522138     -0.73017506     -5.67232584
  H     -9.46572192     -1.73518949     -1.08739223
  O     -4.70808129      1.79525173     -1.37031872
  H     -0.34971113     -2.47397946     -2.35363537
  H     -8.94070956     -3.18379373     -0.88820620
  O     -0.24879392     -0.78869799     -3.12733841
  H     -0.80189781     -3.82931238     -2.92668095
  H     -8.56654891     -0.82457764     -6.22497225
  O     -1.60960807     -4.42243933     -4.67820004
  H     -4.52873507     -3.54163235     -4.66945930
  H    -10.10948051     -0.80255118     -6.28075517
  O     -6.72266979     -4.88614019     -3.01845274
  H     -5.07181137     -4.54716532     -3.62401745
  H     -9.05369005     -2.39125077     -4.54742111
  O     -5.71889365     -2.10549824     -0.76549944
  H     -0.20272993     -2.07009974     -6.41086496
  H     -9.13440352     -2.90148142     -3.06965867
  O     -6.40010133      1.34931696     -3.58092168
  H     -1.11333369     -2.81096390     -5.40786102
  H     -6.23755426     -0.48925447     -0.06796147
  O     -9.57478805     -2.64793995     -1.38140620
  H     -8.25002246      1.25336180     -3.51478996
  H     -7.49748060      0.38470454     -0.20807331
  O     -9.36917289     -0.89517560     -5.68484858
  H     -9.29176936      0.32939501     -4.17539567
  H     -5.77706172      1.40716280     -5.30663012
  O     -8.66829496     -3.00785946     -3.91578724
  H     -7.28749853     -1.91619595     -3.46363607
  H     -4.53624869      0.86891035     -6.04788161
  O     -6.56242979      0.41704057      0.02770613
  H     -5.89491632     -1.65994383     -4.06542310
  H     -2.34990145     -2.94223864     -1.72676869
  O     -5.43062732      1.20536035     -6.18789580
  H     -5.36616686      1.34419336     -0.81070139
  H     -3.65956427     -3.20290499     -2.51922522
  O     -3.27824800     -2.68126600     -1.80018349
  H     -4.41702326      2.56466907     -0.88839089
  H     -6.96258611     -0.71267027     -8.14811183
  O     -7.02341958     -0.71075890     -7.19613556
  H     -1.08920827     -0.36664313     -2.90641070
  H     -6.48472451      0.03961606     -6.88214496
          69
 Energy    -248.16450476015967     
  O     14.80484471      9.88107621    -10.64974622
  H     14.53499543     10.35123357    -11.44981955
  H     13.35873310      7.47804430     -9.36206059
  O     13.17012983     10.25252755    -16.56020491
  H     14.03243133      9.41672338    -10.29380465
  H     18.38860736      7.66844802    -15.04987549
  O     16.95345202     10.40553773    -13.93614134
  H     13.22776449     11.12365107    -16.14776915
  H     18.91724759      7.82813739    -13.60781934
  O     13.34130446      5.10284773    -13.00063315
  H     12.96226417      9.63414757    -15.84851037
  H     14.73659513     12.60737928    -15.55527103
  O     17.18457574      7.41029744     -8.01175195
  H     16.05816658     10.53205616    -13.59081164
  H     13.59666264     13.62114995    -15.28577026
  O     16.32566597     12.11759375    -16.11487612
  H     17.48050629     10.00272634    -13.23807957
  H     13.68107923      7.91755983    -14.47320942
  O     15.69126361      7.57547866    -11.99513741
  H     13.91944633      4.95365620    -12.23847517
  H     12.43313160      8.16651107    -13.59642319
  O     14.27144753     10.79956274    -13.19330959
  H     13.90294570      5.47010869    -13.69361874
  H     15.41778121      9.93377134    -18.80964308
  O     18.20806927      8.68898386    -11.99501665
  H     17.75208559      7.45189259     -7.24576390
  H     14.65917736     10.02149261    -17.46300087
  O     17.44539785      5.03576318    -13.84517620
  H     17.72194562      7.04057001     -8.73628266
  H     12.20378373      6.32341601    -12.49248370
  O     17.66543425      4.11281074    -11.34111455
  H     16.19534456     11.46150747    -16.81110638
  H     10.75934980      6.82500316    -12.25220906
  O     12.86481868      8.15782282     -9.83378696
  H     16.74160442     11.64639644    -15.38069341
  H     14.33256574      6.04913747     -7.52624837
  O     18.96740214      7.26504255    -14.38967169
  H     15.32727235      8.31883262    -11.49696784
  H     15.50816138      6.77531092     -8.21575292
  O     13.83043276     12.70046842    -15.20916808
  H     15.49145972      6.75934378    -11.51979211
  H     14.95236427      5.37489009     -9.91653600
  O     12.99249480      8.56555754    -14.27391257
  H     14.05086822     11.54689155    -13.76236242
  H     15.96578174      4.66603150    -10.88499183
  O     15.54450887      9.96728984    -17.86542308
  H     13.80495507     10.02913744    -13.54780215
  H     18.38080604      5.64748887    -10.53841245
  O     11.67377615      7.09644610    -12.22819488
  H     18.11451463      9.20722316    -11.18036582
  H     18.68323567      7.14436461    -10.79803115
  O     14.64940233      6.35049459     -8.37483417
  H     17.37142547      8.20365904    -12.08330770
  H     15.35032827      7.05353910    -13.63650772
  O     15.10220242      5.09643814    -10.82853135
  H     18.09886246      5.72167664    -14.05205947
  H     15.70696624      7.23839467    -15.13628690
  O     18.60993659      6.47922552    -10.10536331
  H     16.61369048      5.36931667    -14.19215301
  H     17.33188180      9.14768857     -8.98612074
  O     15.14116300      6.73666821    -14.53214706
  H     18.07331490      3.25143229    -11.33572337
  H     16.47995368     10.00186561     -9.93159775
  O     17.39313376      9.84584214     -9.64597306
  H     17.60979940      4.39358756    -12.27397526
  H     16.86887597      9.13649670    -15.22103557
  O     16.82696945      8.44110714    -15.89501546
  H     12.44801313      7.73974516    -10.59770390
  H     16.46989375      8.85914097    -16.68753720
          69
 Energy    -248.16402121358448     
  O     17.90580811     10.56847127    -14.82964026
  H     17.43016342     10.27434068    -14.03618117
  H     14.01871196     10.16521398    -10.15857893
  O     14.99189894      7.20100309     -9.73540559
  H     18.63367728     11.13861790    -14.53698207
  H     18.73522703      5.21019294    -13.18206360
  O     12.72700370      7.42490435    -11.20581538
  H     15.21872663      8.06373610     -9.36787729
  H     18.72781506      3.68716756    -13.43443126
  O     16.01581687      9.31074137    -16.47635817
  H     15.57966225      7.07153660    -10.49475480
  H     16.38794649      8.06053311    -12.31747766
  O     19.75841152      8.41346720    -14.51973168
  H     13.50151592      7.26736068    -10.63697544
  H     16.14510048      6.62604755    -12.86847204
  O     21.54839711      9.84471951    -13.00420637
  H     11.99204257      6.97191750    -10.80047818
  H     18.93005776      5.51134774    -15.34947413
  O     19.13937142      6.75796214    -12.30418610
  H     15.16687462      9.50893236    -16.06249126
  H     18.23004517      6.37645119    -16.40998517
  O     13.46274174      7.25290984    -13.94234409
  H     16.68741256      9.82802155    -16.01365559
  H     18.30460282     14.08175645    -11.33033302
  O     16.41987644     12.96664514    -13.65389079
  H     19.10247211      9.08876804    -14.72977421
  H     17.53991314     13.17114225    -12.31915257
  O     13.47858457      9.63008481    -15.21491859
  H     19.61960167      7.67267495    -15.12841423
  H     16.29797057      7.65058804    -16.78018503
  O     14.23729939     11.33729408    -13.12777111
  H     21.01278564      9.29409461    -13.60150161
  H     16.09290792      6.46157192    -17.74939362
  O     13.32411557     10.21665000    -10.82647053
  H     22.46199723      9.66952408    -13.21498334
  H     16.93122038     10.12811101    -11.82100476
  O     18.39064628      4.51522965    -13.76709119
  H     19.35874068      7.34267630    -13.04378959
  H     15.67520483     10.28681230    -12.73724322
  O     16.44130062      7.11876966    -12.09329811
  H     18.19459230      6.88688937    -12.12174469
  H     20.55426198     11.43005924    -13.37055520
  O     19.08607936      6.21282099    -15.99295316
  H     13.21895655      7.25491331    -13.00748020
  H     19.49310663     12.46526237    -12.91050544
  O     18.22255435     13.17806320    -11.62389859
  H     14.13604604      6.57423386    -14.06171117
  H     17.96560218     11.61778089    -10.66853740
  O     16.43901069      6.69305490    -16.89174557
  H     15.57043858     12.54334530    -13.45929519
  H     18.54737701     10.18095405    -10.41287224
  O     16.48877102      9.78198377    -12.60760851
  H     16.83592963     12.41221651    -14.31968840
  H     19.68525150      8.20913793    -11.10212388
  O     19.88882349     12.05326840    -13.68755202
  H     12.68698338      9.68942298    -15.74375356
  H     20.55080957      9.42966226    -11.42954905
  O     17.75645445     10.73725276    -10.33140435
  H     13.45486403      8.76373516    -14.76907044
  H     16.33007943     10.22655606     -9.38791959
  O     19.89213363      9.10283657    -10.80438289
  H     13.80339019     11.03834901    -12.31343532
  H     15.53281286     10.24375998     -8.06771763
  O     15.51334303      9.91625503     -8.96393983
  H     13.88331351     10.81976816    -13.86242755
  H     15.97077281      5.99128924    -15.24902519
  O     15.80786094      5.62561364    -14.36806586
  H     13.02418340      9.31079613    -10.96953633
  H     16.57981248      5.08259487    -14.16507103
          69
 Energy    -248.16397524145816     
  O     10.39290271     12.59597514     -8.86682025
  H      9.72423124     12.91359560     -8.26648175
  H     11.46863349     13.30836127    -11.91439098
  O     12.97257211      8.71418232    -15.97887611
  H     11.19606992     12.43689743     -8.33759210
  H     14.39210715     12.25456208    -14.14856810
  O     10.60103855      9.95579449     -9.98804403
  H     13.02264059      8.07106320    -16.68152279
  H     14.36139166     13.79049690    -14.01651786
  O     13.60664786      8.59638159    -13.22346337
  H     12.02762209      8.81400289    -15.76027263
  H     17.69945801     10.16205278    -11.82461340
  O     14.82183055     14.04109826     -8.01081581
  H     10.36259286     10.81128431     -9.61383024
  H     18.54762839     10.06384562    -13.11523936
  O     12.83482974     11.55719197    -16.62579424
  H     11.46145070      9.73809809     -9.60313689
  H     14.51685154     15.12568533    -11.20999502
  O     11.24690521      9.90146149    -12.63892647
  H     12.77749617      8.99816573    -12.91768229
  H     13.17129384     14.71333156    -10.59644921
  O     14.81921254      8.01503841    -10.66569096
  H     13.49567405      8.45870886    -14.17260885
  H     13.74594082      8.99861323     -9.49121266
  O     13.95810534     11.73011555    -10.97751002
  H     14.54752954     14.47354826     -8.84012685
  H     13.44890471     10.46346215     -9.80902992
  O     12.72892131     12.07139407     -7.59905102
  H     14.95338369     14.73509288     -7.37061503
  H     12.21171381     12.78731439    -13.88629398
  O     17.31155658     13.25216495    -11.86405595
  H     13.05252560     10.64180780    -16.41208386
  H     10.77830784     12.44869636    -14.36383271
  O     11.83114654     13.56889872    -11.05713253
  H     13.31845876     12.11734098    -16.00495991
  H     15.40184534     12.01120322    -10.04135277
  O     13.92526872     13.04941557    -14.45240567
  H     10.93406815      9.87032762    -11.72340952
  H     15.94030737     12.78051167     -8.82911725
  O     17.81957418     10.53226717    -12.71481528
  H     11.29001956     10.82976020    -12.90011690
  H     16.05025838     10.71085481    -13.24005070
  O     14.02558545     15.11528207    -10.38136878
  H     14.45685923      8.09715896    -11.55752925
  H     14.64845975     10.01651425    -13.35433400
  O     13.28212899      9.77292055     -9.14854809
  H     15.62294459      8.54483225    -10.64312315
  H     11.11458434     11.82484488    -16.37919281
  O     11.31870472     12.57644498    -13.57524273
  H     14.28284442     11.49370345    -11.85444433
  H      9.71919537     12.36549256    -16.77824701
  O     16.20288792     12.14896232     -9.50806515
  H     13.25404317     12.38459640    -11.06050836
  H     16.87836435     10.53220419     -9.81448684
  O     15.10892469     10.86779805    -13.37195128
  H     13.01570766     11.21766744     -7.95192450
  H     17.59585390      9.22146086     -9.41942591
  O     10.19190898     11.92144902    -16.07985116
  H     13.46559360     12.68530744     -7.69571714
  H     15.85636555     15.70180266    -13.24389909
  O     17.21530572      9.68786613    -10.16011994
  H     17.02383314     12.99446703    -10.97789539
  H     16.13039785     14.33595542    -12.57583981
  O     15.42548858     14.91797399    -12.91079493
  H     17.62110697     12.43831776    -12.27551440
  H     10.54863598      9.31505479    -14.26044395
  O     10.41166461      9.19580231    -15.21162069
  H     11.23072025     13.26735073    -10.36302529
  H     10.14667755     10.06074439    -15.54703914
          69
 Energy    -248.16393542311349     
  O     14.99131601     13.72110651    -10.49778494
  H     15.35523605     13.53081932     -9.62422543
  H     16.01238056     15.05890012    -15.57342438
  O     16.38136903     12.41922956    -17.39677092
  H     14.25835818     13.11417390    -10.66394415
  H     14.98511935     15.61034383    -13.63643766
  O     14.89528659      9.58749900    -10.78558438
  H     15.63956062     11.91101093    -17.04325778
  H     13.91746912     16.15357499    -14.61622169
  O     18.68511516     15.07959113    -12.01854935
  H     17.17184520     11.96934759    -17.07652736
  H     19.85284768     10.17117071     -9.73214395
  O     14.53582383     10.85817248    -15.93134559
  H     15.70924197      9.61343364    -11.30856329
  H     18.93440963     11.37865088    -10.03978069
  O     13.50848565      7.44368065    -11.91317478
  H     14.42026856      8.79107747    -11.05319026
  H     18.61959322     11.97772381    -15.31468477
  O     14.55082710      7.58231997    -14.41634831
  H     18.70417266     14.54310081    -12.82772219
  H     19.48768476     11.13752121    -16.27459789
  O     16.38228812     12.43732997    -12.58030326
  H     19.36555757     15.74214401    -12.11563474
  H     12.12051918      9.36431899    -14.54263859
  O     13.20020875     11.74012296    -11.46452744
  H     15.26037449     10.34770222    -15.54153413
  H     11.58754881      8.91569535    -15.92482582
  O     16.69517454      9.42414964    -14.84507067
  H     13.74970428     10.29850010    -15.89962219
  H     17.34385868     10.27170351     -9.00985124
  O     14.02766697     12.70100584    -13.95497788
  H     13.32230831      6.54060039    -11.67185848
  H     15.83044436     10.08099939     -9.24912639
  O     16.83381766     14.77332408    -15.98893739
  H     13.93322955      7.42112448    -12.78972207
  H     17.92200903     13.27113625     -9.32356243
  O     14.50067234     15.41574783    -14.45913726
  H     15.35201835      8.07520593    -14.63210837
  H     18.64830854     13.80320994    -10.59175634
  O     18.98259973     10.40512561    -10.04269019
  H     13.83206042      8.01121327    -14.89815211
  H     16.98884890     10.82874281    -12.33279701
  O     18.60264712     11.22583567    -15.92864282
  H     15.60951850     12.47830881    -13.16121675
  H     17.96187292      9.93814366    -11.52214543
  O     12.38360026      9.14945769    -15.45548186
  H     16.11506807     12.88717625    -11.76988290
  H     16.81377541     15.65673478    -12.09251598
  O     16.47597005     10.42364880     -8.61623022
  H     13.81247733     11.02283543    -11.24110257
  H     15.47471913     15.18147576    -11.49534910
  O     18.64332111     13.09363197     -9.93949028
  H     13.42507768     12.05819126    -12.35276465
  H     12.26983452      8.83041313    -12.41415967
  O     17.26938072      9.90864218    -12.19292327
  H     16.91829946      9.47933035    -13.90414677
  H     12.09686402     10.35981072    -12.32401791
  O     15.86110382     15.79134510    -12.14056731
  H     17.39084974      9.91088489    -15.30423532
  H     16.28006201     13.29074043     -7.24587165
  O     11.82825384      9.58298568    -12.82794145
  H     14.09339780     13.62609335    -14.22473742
  H     16.37066779     12.11203000     -8.24768322
  O     16.37695338     13.08376929     -8.17103814
  H     14.14297801     12.13592655    -14.73104942
  H     17.68667424     13.04120366    -13.62488282
  O     18.35997055     13.41780707    -14.21250220
  H     16.60422841     14.04767120    -16.58900587
  H     17.88973101     13.97120270    -14.85960719
          69
 Energy    -248.16391267367715     
  O     15.36414096     11.18205135    -16.53299395
  H     14.99820308     12.04702382    -16.69895811
  H     17.45451871      4.25645779    -15.58938395
  O     14.51046362      4.45431099    -16.46095448
  H     14.62314997     10.54850223    -16.56153524
  H     19.57063706      5.94918546    -14.06889102
  O     16.96661202      8.42933504    -11.86789656
  H     14.03139550      3.70550267    -16.80390526
  H     20.25425559      7.18974884    -13.47222739
  O     20.84325244      6.83653784    -16.76880526
  H     15.45711699      4.21671314    -16.47483801
  H     18.35770488      8.41458920    -16.19371621
  O     18.57550379      5.62334381    -18.12290435
  H     17.93236247      8.42686671    -11.87116893
  H     19.81456539      8.36089193    -16.69860135
  O     14.23946190      8.51440187    -10.91629977
  H     16.69973937      9.01829391    -12.58451663
  H     16.59637519      8.35955058    -14.97474484
  O     14.01404987      5.77605908    -14.01748345
  H     21.73985263      6.59872233    -16.98776717
  H     16.22422607      7.38826141    -16.12525309
  O     16.02179949      9.92432996    -14.12683314
  H     20.73613782      6.67745226    -15.81317374
  H     13.34150518      9.05022005    -15.45147865
  O     17.84916592      5.33832043    -14.13036828
  H     19.34934469      6.04408255    -17.73102452
  H     13.87835700      8.47516981    -16.78418696
  O     12.09744389      5.28811766    -12.07992491
  H     18.07046664      6.31316703    -18.56789236
  H     13.79183511      5.29144236     -9.32863308
  O     18.92032762     10.39923695    -14.14412708
  H     15.19782847      8.59396638    -10.99944398
  H     13.23800363      5.53737186    -10.75227687
  O     17.12737577      3.97025456    -16.45220819
  H     14.08742378      7.64310559    -10.53025220
  H     15.47522288      7.12689694    -18.14888800
  O     20.37324429      6.48783954    -14.12111871
  H     14.18719818      5.28922948    -14.83144856
  H     14.71709477      6.14027041    -17.19233969
  O     19.08427435      8.96625332    -16.52281150
  H     14.79475908      5.71048407    -13.44898860
  H     19.54988476      9.31406894    -12.92738418
  O     16.90291917      7.58956521    -15.46766102
  H     15.17113763      9.50258972    -13.92539982
  H     20.41377223      9.00387720    -11.68134982
  O     13.48043068      9.26149679    -16.38298915
  H     15.87099190     10.46615690    -14.91375317
  H     15.43881893      5.65936962    -11.33805185
  O     13.96842171      5.74993309    -10.14573634
  H     17.54452023      6.11924481    -14.62007712
  H     16.37261852      6.70004031    -12.00477052
  O     14.90944334      7.07019338    -17.36707852
  H     17.31399092      5.30008388    -13.32863198
  H     16.61480943     10.43750700    -17.78455185
  O     19.76226944      8.62851421    -12.26858014
  H     11.26418134      5.68524942    -12.32262349
  H     17.99921467      9.75424420    -17.76824365
  O     16.03962224      5.79344899    -12.08042655
  H     12.68262020      5.40198414    -12.84612725
  H     13.72025393      8.59107393    -12.66828441
  O     17.24919852      9.97181517    -18.34081115
  H     17.96275766     10.47494147    -14.08669267
  H     13.78370087      7.58747666    -13.84602224
  O     13.69804181      8.52746930    -13.63425578
  H     19.09864193     10.00635200    -15.01152609
  H     16.74983877      7.55252256    -20.33880617
  O     16.78176406      7.52209701    -19.38627002
  H     17.64688090      4.46235788    -17.10529913
  H     16.94407971      8.43273045    -19.08079675
          69
 Energy    -248.16389134318769     
  O     16.79072832      9.54138832    -11.86562951
  H     16.91614248     10.48908602    -11.73110400
  H     13.71662361      8.12284323     -6.50307423
  O     17.09001380     12.20984233    -11.15227583
  H     17.64730213      9.09511217    -11.80465213
  H     16.25155556      4.66812128    -11.90383747
  O     12.61855239      6.11691857     -8.33309387
  H     17.84905284     12.06337783    -10.55768371
  H     17.09515784      3.40320607    -12.18004749
  O     14.86668654      7.92271019    -12.96340595
  H     17.26585035     13.01220702    -11.63621688
  H     15.16082033      5.82200353     -9.86186538
  O     19.02979805      7.99241407    -11.42992123
  H     12.50193737      6.90768374     -7.79389969
  H     15.53647482      7.10061368     -9.08505342
  O     20.70254088      9.35617861     -9.59979248
  H     13.57320921      6.03199380     -8.45256889
  H     18.68108690      6.96401903    -13.01578859
  O     18.11454026      5.86669143     -9.77915622
  H     15.18012855      7.65868751    -13.84000672
  H     17.98640484      5.59752039    -13.15106455
  O     11.96456824      5.74072216    -10.92659289
  H     15.52518895      8.54157970    -12.61651618
  H     16.64018066     11.94068487     -7.61910187
  O     15.37615563     12.11755901     -8.81456440
  H     19.69005471      8.49128719    -10.93430750
  H     17.40810900     12.52110633     -6.40758011
  O     12.71066731      8.54595260    -11.25108842
  H     18.70808044      7.29998293    -10.83537853
  H     16.97422617      6.84320299    -14.74813297
  O     13.48839841     10.01976075     -9.06202018
  H     20.37561345      8.70481066     -8.95272147
  H     16.43050669      7.24170880    -16.13119856
  O     12.85108748      8.48878768     -6.75803538
  H     21.65375980      9.35879451     -9.53270736
  H     16.25927540      9.03566833    -10.22716112
  O     17.16083580      4.33051416    -11.96521082
  H     17.98561458      5.22561490    -10.48937077
  H     15.08225988      9.23963476     -9.23289271
  O     15.40592950      6.14250431     -8.98236472
  H     17.24839272      5.94594592     -9.35938592
  H     19.63608000     10.90176392     -9.42237411
  O     18.30613738      6.35205182    -13.66068073
  H     11.11339229      5.33473308    -11.06511870
  H     18.64477503     11.68818964     -8.51782655
  O     17.41498575     11.80989265     -7.04220916
  H     12.07964694      5.83641830     -9.96401294
  H     15.41599886      6.67784100     -6.96100590
  O     16.16553862      7.08996962    -15.22831330
  H     15.80068591     12.17992418     -9.67853676
  H     16.05816794      7.93777016     -6.36299812
  O     15.92201219      8.77705490     -9.36148533
  H     14.62890723     11.51334020     -8.91348853
  H     13.73764230      5.42600953    -11.47530735
  O     19.05395530     11.67032780     -9.39161814
  H     13.38747946      8.44496815    -11.93407721
  H     14.80321633      6.35692155    -12.09374451
  O     15.29271705      7.35073028     -6.28411104
  H     12.32406783      7.66945940    -11.15340946
  H     18.86524616      8.00038508     -7.52231559
  O     14.68780919      5.52009546    -11.61660189
  H     13.15778894      9.57224597     -8.27331340
  H     19.18585309      6.81737162     -8.46976177
  O     19.58981657      7.52671685     -7.95584086
  H     13.12362332      9.56527922     -9.83835784
  H     16.92853623      8.95578334     -7.91033467
  O     17.39703443      9.01588990     -7.06205958
  H     12.39759131      8.70938758     -5.94854670
  H     17.46749719      9.95910961     -6.87363809
          69
 Energy    -248.16388924699436     
  O     15.27109177      9.12757115     -9.73105296
  H     15.79010455      8.78551287    -10.47227511
  H     11.41688182      3.46074777    -12.45376533
  O     17.12770643     12.21265407    -13.70434371
  H     15.64140751      9.99376987     -9.51693457
  H     10.62036591      7.61460009    -10.33159245
  O     10.75486266     11.03418944    -14.35819373
  H     17.50543050     11.61146206    -13.03769962
  H     11.12605903      9.05785237    -10.49273033
  O      9.74225587      8.87668201    -13.16055179
  H     17.85342679     12.71746377    -14.06171498
  H     14.81016099      5.96705061    -10.43722099
  O     13.10308557     11.63474839    -12.95116247
  H     10.03675881     11.60237171    -14.62206596
  H     14.40370339      6.50371294    -11.82172574
  O     14.98365401     10.78263053    -14.84762571
  H     10.35497396     10.27006576    -13.90177970
  H     14.39043793     12.62807389    -12.02464880
  O     16.38668769     11.67152354     -9.56115453
  H      9.81690242      8.78745034    -12.19855258
  H     15.86844450     12.85372717    -12.38607207
  O     16.80911589      8.03608065    -11.84609868
  H     10.07939128      8.04984534    -13.52617779
  H     11.93644094     10.12481569    -15.50966314
  O     14.34489524      4.24449314    -13.47654545
  H     13.75392347     11.32967052    -13.59939231
  H     13.45443651     10.12170850    -15.77323459
  O     18.00063747     10.59444814    -11.69704084
  H     12.24000607     11.54826979    -13.37556922
  H     14.12116867      6.62155847     -7.92318367
  O     13.29970644      7.70307812    -12.65501724
  H     15.74071416     11.32121721    -14.58728405
  H     14.47456726      7.61010494     -9.05385073
  O     11.77762322      4.33437053    -12.58183097
  H     15.23295988      9.86043707    -14.68291211
  H     11.69993131      5.44630354    -10.90819216
  O     10.32325762      8.52008119    -10.49704896
  H     16.59715240     12.29794733     -8.87423819
  H     12.39042269      6.19530852     -9.74262989
  O     15.04180806      5.92524736    -11.37251643
  H     15.92144713     12.16608283    -10.26037000
  H     15.33040141      5.49852148    -16.59151811
  O     15.23372967     12.93113096    -11.66309137
  H     16.48277286      8.17537880    -12.74684972
  H     14.05710041      6.23559773    -16.11473582
  O     12.63234664      9.67136258    -16.00217462
  H     16.45096534      7.17387983    -11.59748276
  H     11.98100235      6.94548820    -17.33063659
  O     14.10420505      6.73179000     -8.87090660
  H     14.58115573      4.74153882    -14.26749328
  H     12.55614731      7.98998070    -16.34594957
  O     11.53373100      5.99925206    -10.13732641
  H     14.75574749      4.70473188    -12.73020731
  H     11.24807371      5.74603367    -13.63084571
  O     14.90349992      5.86218938    -15.81907858
  H     17.75838209      9.65976180    -11.72589229
  H     11.54176846      6.58921373    -14.92381700
  O     12.49227270      7.03404863    -16.53015270
  H     17.60309312     10.94847013    -10.89213379
  H     14.64645495      8.06113087    -13.71656248
  O     11.12662177      6.60696983    -14.05421066
  H     12.50281332      7.37662031    -13.08838025
  H     15.45535130      7.38804642    -14.84731480
  O     15.44919682      8.14971106    -14.25808010
  H     13.03275319      8.40063607    -12.04262048
  H     13.64584211      9.67330818    -10.43739710
  O     12.80636291      9.79156541    -10.89778256
  H     12.68737985      4.21984176    -12.90681412
  H     12.91806475     10.49821605    -11.54862472
          69
 Energy    -248.16364554329584     
  O     16.89411342     10.30224427    -14.74497888
  H     17.69523389      9.77949403    -14.87958490
  H     18.67968362      4.05258999    -15.29126072
  O     13.74869894      7.18278941     -9.94721695
  H     16.60310216     10.09357733    -13.84082310
  H     15.14800119      6.79488362    -11.17526076
  O     17.19785535     12.98100929    -14.31372319
  H     13.61443163      6.64180721     -9.17360698
  H     15.17135793      6.62891196    -12.71963816
  O     14.62616503      8.89471316    -15.57408199
  H     14.12892119      8.02559482     -9.63757247
  H     17.57349744      7.15285139    -17.10570264
  O     19.09423891      8.63551426    -14.68144090
  H     17.07784180     13.50198465    -15.10340024
  H     18.73618239      7.59234471    -16.17274047
  O     20.80399213     10.12091674    -13.03704324
  H     17.06321675     12.05167640    -14.56618749
  H     18.20092150     12.93582937     -9.25510356
  O     18.33146994      6.60784959    -12.89642773
  H     15.39128282      9.43482079    -15.33212603
  H     17.88700172     11.61634038     -9.99859723
  O     12.10618129      7.50999837    -12.20256643
  H     14.89116720      8.41025850    -16.36679965
  H     15.54894792      6.39769833    -17.08458734
  O     15.76291388     13.12427966    -11.82878051
  H     19.76794132      9.15543819    -14.22566031
  H     15.41042472      7.03462816    -18.48786154
  O     12.79476479      9.97959655    -13.57247777
  H     18.79692619      7.96528524    -14.04825914
  H     15.91583845      8.59451533    -12.18993553
  O     13.98644814     11.09799663    -11.34623850
  H     20.31304843     10.94623575    -12.87477180
  H     15.29280945     10.02311775    -12.00336585
  O     18.12741640      4.79509458    -15.06013641
  H     21.72607496     10.35724352    -13.09200232
  H     18.71474473     12.66512788    -13.21665124
  O     15.72909418      6.79151467    -11.94410234
  H     17.45420556      6.62437489    -12.48925192
  H     18.99870688     12.50984970    -11.71055667
  O     18.43514670      6.88783495    -16.76375812
  H     18.31843041      5.88848836    -13.54026438
  H     18.38936216      9.32356643    -10.20786913
  O     17.99882436     12.57557005    -10.11452651
  H     11.19560088      7.34166550    -11.97066345
  H     17.10676810      9.82641574    -10.88070219
  O     15.67400132      7.22123658    -17.59039102
  H     12.62215082      7.42715593    -11.38550100
  H     13.23484758      6.81413834    -13.54075905
  O     16.07092753      9.53907417    -12.31283837
  H     16.48589921     13.04032019    -11.19478213
  H     14.21322375      7.43214944    -14.58050576
  O     19.38502681     12.37779127    -12.58515899
  H     16.18009822     13.16428974    -12.69745195
  H     20.14159311      8.93794503    -11.65990432
  O     17.60913817      9.87446000    -10.05317654
  H     12.48698110      9.16645240    -13.15428402
  H     19.31466149      7.64365970    -11.59244420
  O     14.01006215      6.62520279    -14.08273787
  H     13.31789872      9.70740523    -14.33554314
  H     15.82124032      9.61251587     -9.30427640
  O     19.68010642      8.35182697    -11.04745841
  H     14.49761616     11.90266279    -11.52578312
  H     14.47617083     10.16425656     -9.84114495
  O     14.86393961      9.51687545     -9.23261934
  H     13.46560908     10.87798663    -12.13165203
  H     16.26098960      4.85789686    -15.55838353
  O     15.40424605      5.06630074    -15.95030778
  H     18.29942441      5.48993146    -15.72197541
  H     14.85796190      5.43935286    -15.24487606
          69
 Ord_Energy   -248.163589    
 O   -3.00286007       1.13597751     -0.414164901    
 H   -3.57091951       1.51330125      -1.09635150    
 H   -2.15837240      0.930102706     -0.847148716    
 O  -0.528270304      0.351277918      -1.36143064    
 H   0.156739786      0.994948208      -1.56974328    
 H  -0.249985784     -0.125422627     -0.566121578    
 O    2.46796274     -0.763101578      0.128333807    
 H    2.46297002      -1.02998018     -0.802538991    
 H    1.64060223      -1.07545900      0.516689122    
 O   -1.85849273      0.804997623       2.03438258    
 H   -2.46973419      0.858458519       2.76474023    
 H   -2.37029600      0.982567847       1.22552943    
 O  -0.627758682       1.25237155      -5.04890013    
 H  -0.974867463       1.88131034      -4.39462090    
 H   0.316519588       1.16108143      -4.88409901    
 O   -3.81192875      -1.58053279     -0.793910801    
 H   -3.62663412     -0.677322805     -0.511969030    
 H   -4.06346273      -1.50102746      -1.72539902    
 O   -3.36392522      -1.06296790      -7.16207981    
 H   -2.79560781      -1.24421751      -6.39387131    
 H   -3.15607142      -1.72332537      -7.81790018    
 O   -1.72762358      -3.19578385     -0.284806877    
 H   -2.01389313      -4.07090950      -3.90752517E-02
 H   -2.53144526      -2.66808295     -0.449097455    
 O    2.07232547       1.02201748      -4.19056940    
 H    1.93507528       1.55211008      -3.38641548    
 H    2.84707594       1.37413394      -4.62268400    
 O    2.62671137       1.84474957      0.652935147    
 H    3.45146108       2.06265640       1.07755196    
 H    2.63001633      0.880148113      0.506680369    
 O  -0.524521470      -2.11730409      -2.63513041    
 H  -0.888896227      -2.66265321      -1.92901385    
 H  -0.565703511      -1.20480645      -2.30668688    
 O  -0.170621753      -1.20572233      0.954024196    
 H  -0.697249889      -1.95144248      0.635363519    
 H  -0.749462783     -0.631044626       1.47035527    
 O   -5.06583786       2.48993134      -5.42381430    
 H   -5.46247435       3.24462247      -5.85042334    
 H   -4.24313402       2.29670954      -5.90831709    
 O   -1.72772408       2.96098924      -3.25699210    
 H   -1.41706979       3.41417432      -2.46591163    
 H   -2.60885811       2.61776161      -3.06022072    
 O   -5.72409439     -0.322836488      -5.68280983    
 H   -5.65779257      0.639596879      -5.64619780    
 H   -5.04406595     -0.609743893      -6.30608940    
 O    2.81117707E-02   2.84625769       1.29586112    
 H   0.911356449       2.46355224       1.21675956    
 H  -0.549215972       2.15866351       1.64566588    
 O   -2.82738256       1.72089219      -6.77353621    
 H   -3.00188255      0.822291613      -7.07980299    
 H   -1.99411285       1.67494249      -6.28689146    
 O   -1.82310379      -1.22976983      -4.89193964    
 H   -1.40783298     -0.355687797      -4.95163918    
 H   -1.34409773      -1.71703160      -4.20915318    
 O    1.50757468       2.33710885      -1.86236870    
 H    1.99822652       2.20495915      -1.03990138    
 H   0.899174631       3.07156849      -1.71043181    
 O    2.22693348      -1.39500082      -2.57816672    
 H    2.23370290     -0.660738707      -3.20240474    
 H    1.36356103      -1.81520617      -2.68105054    
 O  -0.445814133       4.17674589      -1.02353716    
 H  -0.457547963       5.11507750     -0.854023218    
 H  -0.363187850       3.73726583     -0.158819094    
 O   -4.25566816       1.79393411      -2.82009983    
 H   -4.22955561      0.839010060      -2.98026609    
 H   -4.63521671       2.17241406      -3.62330103    
 O   -4.22568512     -0.936027169      -3.45519710    
 H   -4.89137840     -0.833100080      -4.15018415    
 H   -3.37951756      -1.05804801      -3.90496659    
          69
 Energy    -248.16353063666071     
  O     15.68761029     11.60796944    -12.32905068
  H     14.97813725     10.98125285    -12.52490097
  H     17.58588743      8.84965002     -9.09618927
  O     12.35412734     11.74304919    -10.89129245
  H     16.44616186     11.39287284    -12.88324956
  H     18.56495185      6.27344661    -14.28099890
  O     14.81819795     10.06384457     -8.05029118
  H     12.56828190     11.15027156    -11.62229876
  H     17.25535246      5.57551966    -14.70735856
  O     16.60856804      7.85584065     -7.82813443
  H     12.81867285     12.56606725    -11.10655397
  H     19.07496594      9.73435736    -12.69331949
  O     13.21654049     12.42959293     -8.22084311
  H     15.37579481      9.30900753     -7.83155688
  H     19.09315347      9.23306885    -11.23620122
  O     14.09124639     13.82965985    -11.51310837
  H     15.34968956     10.63225571     -8.62650347
  H     14.47595748     13.59936890     -8.56024795
  O     13.87842866      8.59069204    -15.25791130
  H     16.18268117      7.15057103     -8.34585338
  H     15.31738636     14.87032964     -8.29046599
  O     15.92059449      4.51014609    -13.85329393
  H     16.91415789      7.45482975     -7.01847796
  H     12.33083082     10.05827970     -9.92884483
  O     13.46951430      9.90167119    -12.80223525
  H     13.63207213     11.61208613     -7.91958303
  H     13.35449012      9.45048813     -8.95847126
  O     16.30214882      8.11996257    -11.76666832
  H     12.79258614     12.21226291     -9.06159847
  H     16.37375354      8.43220912    -13.53079656
  O     17.21160420      5.49033918    -11.57040306
  H     14.51074781     14.10245320    -10.68832310
  H     17.00678271      7.77488451    -14.79032038
  O     17.89509878      9.38956465     -9.83422924
  H     14.70253514     13.20228235    -11.92151758
  H     20.51916042      6.16475044    -12.61516562
  O     17.88874438      6.25593926    -14.97048520
  H     14.83785957      8.60216997    -15.09598045
  H     19.60140272      7.40174253    -12.49126332
  O     19.49775238      9.09926025    -12.10499678
  H     13.74875138      8.75277617    -16.18863656
  H     13.61003049      6.49865686    -12.82415857
  O     15.23753384     14.12097905     -8.87367984
  H     15.12380994      5.07057991    -13.83396236
  H     13.68782389      6.90100471    -14.31156988
  O     12.61981742      9.22202687     -9.54543811
  H     15.63481505      3.63413888    -14.09800966
  H     14.69264056      6.25206614     -9.90560739
  O     16.50256014      8.54395817    -14.48587823
  H     13.45653136      9.57754948    -13.71115091
  H     16.09681463      5.63457788    -10.06016065
  O     19.61068178      6.44691172    -12.68214611
  H     13.43861626      9.11496220    -12.24585515
  H     17.46365809     10.01406843    -14.24675562
  O     13.78102890      6.15306100    -13.71131762
  H     16.62182918      7.20845922    -11.70230526
  H     18.29892832     11.26100976    -14.63005045
  O     15.45985977      5.95293255     -9.40561429
  H     16.82376168      8.64198033    -11.14518267
  H     14.60885949      7.74887276    -11.32653347
  O     17.92862459     10.78906941    -13.88772156
  H     18.10720675      5.71384846    -11.85673936
  H     13.24202504      7.98419349    -10.57062999
  O     13.69583605      7.43338001    -11.22927844
  H     16.77844312      5.04896845    -12.31427409
  H     16.14583545     11.67271533    -10.59947432
  O     16.42976453     11.70768829     -9.67368969
  H     17.51870325     10.27401449     -9.71591665
  H     16.19100752     12.58309886     -9.34616860
          69
 Ord_Energy   -248.163528    
 O   -8.22046757       3.32341146       3.86416502E-02
 H   -8.50557423       3.01283598     -0.829404831    
 H   -7.70848989       2.59884095      0.419313699    
 O   -7.67705059       5.10715532       2.20952058    
 H   -7.29010010       5.73900557       1.59438109    
 H   -8.15040588       4.49500322       1.63000071    
 O   -5.96393967       2.44429922      -3.17195606    
 H   -5.44242764       1.99133694      -3.84528279    
 H   -5.49162817       2.33844185      -2.33175540    
 O   -2.09326482       1.10693669      -1.10747111    
 H   -1.65612757       1.38799560     -0.293250859    
 H   -2.00672293      0.149235263      -1.18992901    
 O   -1.13428497       2.14082646       1.29149818    
 H  -0.370894670       2.05006433       1.85551000    
 H   -1.91468287       1.98658681       1.85323465    
 O   -6.49657869       1.23057914      0.958323777    
 H   -6.09934473      0.528112292       1.48986292    
 H   -5.81775570       1.51928532      0.324863404    
 O   -4.99683142     -0.664280295       2.32994342    
 H   -5.20295048      -1.29495323       3.01474667    
 H   -4.73631668      -1.17523873       1.54203486    
 O   -8.59327698       2.20562291      -2.53401899    
 H   -9.15995026       2.46677017      -3.25477028    
 H   -7.67510128       2.31787276      -2.83857155    
 O   -4.18611097       1.15813160      -4.90982342    
 H   -4.05438709       1.22922552      -5.85123301    
 H   -3.43913913       1.62041891      -4.48397493    
 O   -3.34655499       1.63736916       2.79005694    
 H   -4.03241491       2.28228927       3.00183105    
 H   -3.80814648      0.798888326       2.66805840    
 O   -4.37982512       4.56196117      0.713594019    
 H   -4.72685766       4.18971920       1.53281772    
 H   -5.10215807       5.05603933      0.299696594    
 O   -2.22787476       2.41101551      -3.58116269    
 H   -2.25668621       3.35330486      -3.37451768    
 H   -2.06324220       1.95926642      -2.74248362    
 O   -1.77620578       4.59289551     -0.121930659    
 H   -1.41685045       3.82501078      0.333129495    
 H   -2.66363859       4.71455812      0.250084877    
 O   -4.62171507       2.19788337     -0.770109236    
 H   -4.47031260       3.05039048     -0.339229375    
 H   -3.76297307       1.77308810     -0.894022048    
 O   -7.87658072     -0.158487692      -1.13352180    
 H   -8.23683167      0.567721665      -1.65680826    
 H   -7.49497271      0.245702744     -0.345361829    
 O   -3.94431639      -1.29716837      -3.49451375    
 H   -4.79953480      -1.53001869      -3.11044645    
 H   -4.07168579     -0.492440879      -4.01024771    
 O   -2.09587884      -1.64174616      -1.57543278    
 H   -2.70825124      -1.54114234      -2.32898664    
 H   -1.41761768      -2.25296664      -1.84838355    
 O   -5.25704479       5.19697142      -2.85278320    
 H   -5.51156235       4.30100441      -3.10452676    
 H   -4.29254293       5.20188761      -2.82591605    
 O   -5.67931414       3.27041149       2.84252381    
 H   -6.36397219       3.95542288       2.83640146    
 H   -6.02914429       2.55009246       2.30316806    
 O   -6.25173187      -2.09977841      -2.06698680    
 H   -6.86377573      -1.40219736      -1.77431583    
 H   -6.78579092      -2.86288738      -2.27257967    
 O   -2.38045526       5.09318924      -2.71734858    
 H   -1.87435150       5.84441042      -3.01658797    
 H   -2.11153841       4.92854643      -1.79606211    
 O   -6.58920097       5.65734959     -0.483818412    
 H   -6.19172001       5.61954212      -1.36764431    
 H   -7.17112207       4.88986588     -0.407616556    
 O   -4.37435293      -1.99396396       8.18016827E-02
 H   -5.04189920      -2.08970928     -0.608489633    
 H   -3.52853036      -1.92962885     -0.377302289    
          69
 Energy    -248.16335940250448     
  O     10.74309622      8.99887888     -8.65088623
  H      9.89979865      8.86598272     -8.22419206
  H     13.56494645     12.22260520    -13.62501736
  O     13.73224229      9.20705286    -16.56224025
  H     10.59370135      9.63241141     -9.37365119
  H     16.99966728     10.67326059    -10.51532737
  O     11.86651708      7.24203928    -10.70329259
  H     12.97458343      8.60922633    -16.51352888
  H     17.08999166      9.63585613    -11.66414037
  O     14.51176808      8.89111010    -13.97330225
  H     13.36328706     10.09218441    -16.67224478
  H     17.01831326      7.24774278    -12.72268434
  O     12.46191097     11.78254698    -16.60531886
  H     11.43281732      7.70278304     -9.97723417
  H     15.81215295      8.18475444    -12.96037942
  O     11.90054114      8.21715676    -13.27472283
  H     12.81204799      7.26834407    -10.49799840
  H     11.86857982     15.50072130    -12.15793578
  O     15.32013624      8.46183397     -7.61497886
  H     14.40473974      8.98510290    -14.93117050
  H     11.85963732     14.19630306    -11.32505609
  O     13.45653891     10.31934397    -10.82530847
  H     13.64742704      8.62526873    -13.62960090
  H     14.91191963      7.93202390     -9.33093257
  O     13.09928802      9.98745406     -7.33948433
  H     12.61475165     12.50859397    -17.20564596
  H     15.28842416      7.74060929    -10.84129293
  O     14.77273544     13.79291982    -11.07796615
  H     12.56509717     12.13778846    -15.70795280
  H     11.33429502     11.37197796    -13.59496489
  O     10.74658106     10.73290556    -10.74453222
  H     11.44602742      9.07029802    -13.26856743
  H     10.26874066     10.54494871    -14.35652273
  O     12.72236125     12.56686011    -13.95156136
  H     11.81611072      7.82573316    -12.39369021
  H     13.76025120     11.51144533     -9.51912950
  O     17.12817260     10.57912860    -11.47107135
  H     15.56298669      8.02526544     -6.80320454
  H     14.31466458     12.93937172     -9.50887141
  O     16.44975659      7.88116704    -12.29183522
  H     14.50890466      8.97031732     -7.43214922
  H     15.85911373     11.23009402    -12.43512615
  O     12.22556164     14.61727469    -12.12363940
  H     14.00147573     10.69415596    -11.52697583
  H     14.85513428     10.57403500    -13.40827905
  O     14.55329381      7.81465354    -10.22039850
  H     13.81610103      9.45015506    -10.60590297
  H     10.45321734      9.26297172    -16.18743205
  O     10.63321168     10.71763362    -13.47693126
  H     12.28117384      9.67617513     -7.74735095
  H     10.83666900     10.73337170    -16.43770810
  O     13.93762044     12.26141536     -8.92772363
  H     13.26484336     10.87834462     -7.66866216
  H     16.22506699      9.99738434     -8.32896547
  O     15.02897403     11.39003920    -12.91524846
  H     13.99158521     14.21480301    -11.45765121
  H     15.74460837     11.41369417     -8.67336170
  O     10.12185345     10.16746164    -16.11919641
  H     15.05878875     13.15025330    -11.73369443
  H     11.00375682     12.47334316    -10.14547126
  O     16.48546987     10.80799500     -8.78224773
  H     11.70260116     10.56146024    -10.78521447
  H     12.18542336     13.08287153     -9.37678482
  O     11.40279745     13.31609954     -9.88914685
  H     10.44772633     10.73713709    -11.66274299
  H     11.14673465      6.72580061    -16.08185414
  O     11.43408774      7.62208122    -15.92782789
  H     12.50048404     13.33238626    -13.40512450
  H     11.57459625      7.70990095    -14.96979714
          69
 Energy    -248.16314403701941     
  O     16.04414121     17.84589085    -14.55484393
  H     16.32197765     17.77901168    -15.48624984
  H     16.11051410     10.27805975    -13.97883656
  O     22.02461701     14.66476362    -14.81254659
  H     15.60213438     18.68641938    -14.46492288
  H     21.29107862     16.41952195    -15.10854707
  O     15.32522516     13.22505884    -14.01056980
  H     21.33774974     14.10814602    -14.40770114
  H     20.13761449     17.27712663    -14.54368741
  O     16.98852234     11.52988410    -16.76432996
  H     22.82009532     14.52667957    -14.30331232
  H     16.89209705     13.09218694    -13.00238758
  O     17.38262873     10.18983441    -12.82672275
  H     15.47844898     13.59586191    -14.89302890
  H     17.72107797     13.81923665    -11.92143525
  O     21.27945575     13.16591104    -17.20374390
  H     15.17644376     12.28186494    -14.14639686
  H     19.74701672      9.87016451    -14.88461124
  O     19.56526115     15.19663378    -18.06613440
  H     16.65566253     12.43857213    -16.76375302
  H     20.43369443      8.71384261    -14.13952306
  O     15.27892361     15.75236516    -12.74223732
  H     16.45682533     11.04841708    -16.11906874
  H     14.97619263     15.89404021    -19.36611896
  O     19.95490097     13.06028675    -13.99286778
  H     17.58608912     11.07555562    -12.50406015
  H     16.36901253     15.22933848    -19.23392567
  O     17.66458109     11.49442183    -19.48107007
  H     18.20159093      9.82324898    -13.19085897
  H     18.35801203     16.51947594    -12.78236591
  O     19.76213976     17.95343801    -17.59787744
  H     21.70470865     13.65615396    -16.49085766
  H     17.71358959     17.39432809    -13.88508432
  O     15.42777292     10.45644031    -14.65179546
  H     20.76697148     13.82803681    -17.68736561
  H     17.87466646     17.79233459    -17.31788894
  O     20.84500125     17.27002280    -15.20264223
  H     19.74184899     16.14313920    -18.11728405
  H     16.55582344     17.07520918    -17.72574015
  O     17.67908745     13.01007529    -12.44482774
  H     19.17727063     15.06150692    -17.18874632
  H     16.69157094     15.68122670    -11.74258606
  O     19.66207399      9.27388610    -14.12377456
  H     15.12656751     14.89661794    -13.16470931
  H     17.46717455     15.88540849    -10.41567608
  O     15.69917260     15.75774149    -18.76065538
  H     15.40945172     16.40020213    -13.44587070
  H     20.25919207     11.82218045    -16.58034798
  O     18.53855915     16.96574915    -13.61871403
  H     19.88972801     12.32442787    -14.61754499
  H     18.77491587     11.35066045    -16.35959274
  O     16.94724178     17.67697919    -17.08062166
  H     19.21800392     12.98668157    -13.37154419
  H     18.48356730     15.65160791    -14.93274675
  O     17.56736597     15.59985473    -11.31971695
  H     18.38007209     10.87381195    -19.60337149
  H     18.96327218     14.19105438    -15.05371110
  O     19.68891260     11.22821247    -16.06959135
  H     17.38207532     11.39229618    -18.56003015
  H     18.38740829     14.56045057    -19.32299541
  O     18.46916162     14.88082645    -15.51300443
  H     20.22328735     18.69805424    -17.97403448
  H     17.63172841     13.30582878    -19.82779337
  O     17.63228329     14.27167633    -19.85411547
  H     20.19189715     17.75776358    -16.74550337
  H     15.80245400     14.67053457    -17.25630260
  O     16.04544322     14.13826448    -16.49130166
  H     14.80018338      9.74075426    -14.60567190
  H     16.89133568     14.47961309    -16.15958807
          69
 Energy    -248.16311827042296     
  O     15.28517048     10.43158496    -16.26255615
  H     15.14227536      9.95776782    -17.08979807
  H     17.66444325      4.84181936    -12.30521108
  O     16.30979427      5.02192152    -13.45423910
  H     14.47665950     10.39296419    -15.73032840
  H     18.72618669     11.36558105    -16.49295194
  O     17.45210280     12.68713130    -10.42241693
  H     16.55792715      5.21937422    -14.36794137
  H     20.02724089     11.51821288    -17.31814214
  O     19.48797628      8.83130919    -15.02925862
  H     15.79518372      5.77805751    -13.15533276
  H     16.27870774      9.20896794    -15.33786904
  O     14.38889925      6.73186860    -16.84170172
  H     18.22819098     12.18411823    -10.14353632
  H     16.23301331      8.27436842    -14.09151359
  O     17.39352123      9.27990787     -9.04945234
  H     16.69303291     12.25053072    -10.01641611
  H     13.03832039      9.17048157    -14.48042309
  O     15.12607088      7.65003813    -12.72042023
  H     18.52617478      8.73664982    -14.92491246
  H     13.67787354     10.28877617    -13.62511724
  O     17.32866242     11.50768939    -12.90627293
  H     19.61858113      9.57186118    -15.63705503
  H     17.92481634      6.63811045    -11.28556087
  O     13.07147794      7.23782070    -14.53161484
  H     14.60533820      7.41722137    -17.48556301
  H     16.70138373      7.51209321    -11.67537842
  O     19.55917727      6.73905390    -16.86828619
  H     15.22405074      6.28110398    -16.65899908
  H     19.59990295     10.39123687    -10.80023335
  O     16.96084789      6.01461986    -16.00277384
  H     18.20269954      9.79096833     -9.17421557
  H     20.53432717     10.94310597     -9.70070212
  O     18.35450121      4.94349099    -11.62722382
  H     17.42908769      8.57383844     -9.70902638
  H     19.51922934      9.23383739    -13.19919532
  O     19.43451420     10.87112915    -16.94704944
  H     15.00647235      8.56751410    -12.42589052
  H     18.68382848      8.75706040    -11.97254916
  O     16.76708482      8.53133828    -14.85107773
  H     14.36627504      7.44182233    -13.28291491
  H     14.79056524     11.07777475     -8.66818214
  O     13.24280431     10.11330949    -14.46988160
  H     17.98101074     10.80956513    -12.76843056
  H     16.01497800     10.32683577     -9.24638762
  O     17.56321901      7.53582885    -11.24418829
  H     17.36809971     12.07983957    -12.12584652
  H     18.53453272      8.00062467    -17.96821192
  O     19.61645402     10.84293427     -9.93972339
  H     12.28872185      6.69433624    -14.49860168
  H     18.49018120      9.53554026    -17.92920774
  O     19.23087439      9.48130905    -12.31251947
  H     13.50612360      7.05180628    -15.38320746
  H     15.71302787     10.73643580    -12.52465835
  O     15.31495841     10.97106932     -9.45710201
  H     19.66096561      7.39779991    -16.16153183
  H     14.90257599     10.55353682    -11.22214523
  O     18.04110342      8.76191772    -18.29286174
  H     20.41255656      6.32974679    -16.98619124
  H     17.41844669     11.99663090    -14.67873043
  O     14.92367455     10.31315345    -12.15678308
  H     17.84624545      6.00241586    -16.38087359
  H     16.61551414     11.62633466    -15.93912995
  O     17.42899861     12.05897171    -15.64316494
  H     16.85059992      6.91434633    -15.65542183
  H     16.30150738      8.76271417    -18.50167903
  O     15.32963330      8.80253582    -18.55407017
  H     18.41970320      4.09980205    -11.18771266
  H     15.11100076      8.98062600    -19.46498019
          69
 Energy    -248.16302715047939     
  O     15.07281961     10.08711938    -14.02262011
  H     15.61105725     10.00927598    -14.83149634
  H     15.35092916     12.99434234    -15.28029593
  O     19.00642510     14.29061439    -17.58176294
  H     14.38131402      9.43371982    -14.08725050
  H     17.53960185      9.80330169    -16.26824308
  O     19.32260036      9.28956215    -13.35976198
  H     19.49813454     13.45919839    -17.44386095
  H     16.64817271     11.03780595    -16.47435632
  O     18.87310048     14.66878676    -10.88791660
  H     19.12724677     14.53268065    -18.49606549
  H     21.82562375     17.83833559    -13.91990903
  O     15.11108577     14.83679183    -12.73242214
  H     18.50223836      9.62155765    -12.97950110
  H     21.05001767     16.53442033    -14.19771783
  O     19.22304842     10.16181981    -10.39589617
  H     19.95729557     10.02249502    -13.29156480
  H     20.17523863     11.72679040    -10.41139993
  O     16.49449000     13.10075426    -10.92638067
  H     18.52474254     14.88127289    -11.76401963
  H     19.97120307     13.24798694    -10.71874698
  O     19.39807573      9.46309132    -16.10822481
  H     19.58568015     15.30627947    -10.73176015
  H     16.73186940     11.52225128    -11.62487655
  O     21.83309043     13.44583017    -15.00168401
  H     14.88804355     14.15908711    -13.39635059
  H     16.25682634     10.43883139    -12.65895944
  O     21.11385360     16.25784678    -10.83858234
  H     14.33862146     15.38421082    -12.62350328
  H     21.04470433     12.37438982    -16.35111218
  O     20.83064168     11.58224406    -13.26948674
  H     18.36595697     10.33955966    -10.80651045
  H     20.08516697     11.19094325    -16.67112870
  O     14.70447570     12.90352463    -14.56623142
  H     19.60500978      9.46603414    -10.93517730
  H     23.41272881     14.48136783    -12.36823095
  O     16.62217623     10.09942773    -16.24174420
  H     15.93053496     13.69671729    -11.43499015
  H     23.01515831     15.59206140    -13.35867619
  O     21.66808553     16.95958405    -13.58213408
  H     17.27783422     13.61616472    -10.69517389
  H     19.58460924     15.25701911    -16.06112185
  O     20.63040051     12.53988783    -10.66924992
  H     19.38063998      9.32758871    -15.14639985
  H     19.14442410     15.48948089    -14.59137281
  O     16.99923176     10.72169015    -12.10928471
  H     19.81220736      8.68911610    -16.48365594
  H     23.49666612     13.79731699     -9.84744044
  O     20.39008197     12.04972351    -16.98406052
  H     21.16299855     14.13918205    -15.06263521
  H     22.16987284     13.43753424    -10.55118175
  O     23.50341136     14.76188094    -13.28749372
  H     22.55953503     13.82211542    -14.48283233
  H     19.18879680     12.18852425    -13.82366079
  O     19.90110085     15.54091032    -15.19470369
  H     21.26865483     16.58054304    -11.73482640
  H     17.75776895     11.89297863    -13.33111656
  O     22.93088748     14.04143237    -10.57577098
  H     21.82023687     15.62385401    -10.66332524
  H     17.45581605     13.44260350    -16.85502615
  O     18.26470430     12.43738344    -13.94585419
  H     21.30408378     12.19063588    -13.85215987
  H     17.42117571     12.67718921    -15.51846522
  O     16.89600191     12.88132316    -16.30926811
  H     20.84829613     11.94936471    -12.37527636
  H     16.87911031     15.19611353    -13.26267126
  O     17.81905458     15.09210913    -13.45298140
  H     14.68880158     11.96657499    -14.34204180
  H     17.95736357     14.14477220    -13.61637105
          69
 Energy    -248.16293311667221     
  O     12.06791891      9.50252160    -15.29486859
  H     12.54986759     10.33293407    -15.23203387
  H     20.85516612      8.78707822    -14.83468827
  O     16.83485032      6.05275168    -13.66705363
  H     12.62566154      8.92902056    -15.84035773
  H     14.98551118     11.99215122    -15.49110998
  O     17.07869087     10.12524469    -11.62713107
  H     16.12651879      5.92441183    -13.02265502
  H     14.01778509     11.29583297    -16.44209392
  O     16.80563987     12.41798695    -15.59532323
  H     17.51462105      6.57752389    -13.21990514
  H     16.10191517      7.56027037    -14.39507506
  O     14.08610175      5.28250555    -16.57320707
  H     16.88114380      9.95859641    -10.69769168
  H     16.69658102      8.59214678    -15.36459303
  O     13.76067813      8.89182986     -8.95410043
  H     16.23417948     10.23863909    -12.08590126
  H     10.35060243      7.61632020    -13.41554026
  O     14.82093707      6.12645209    -11.73826473
  H     17.39220244     11.99555441    -14.94297746
  H     11.50928775      8.38394104    -14.09684325
  O     14.77578969     10.22329178    -13.18070916
  H     17.12698325     13.30900775    -15.70919188
  H     17.68969435      6.96172610    -10.78650365
  O     16.95704541     10.44162995    -17.66882407
  H     13.73360070      4.46848034    -16.92234952
  H     16.85336414      7.56051448     -9.64763053
  O     18.18558464      8.31016350    -16.48407159
  H     13.79351129      5.33664266    -15.64526221
  H     12.50303662      6.24872656    -13.86033424
  O     16.96352756      5.81212205    -16.47038032
  H     13.50639052      8.77004577     -9.88342879
  H     13.74087209      5.59831393    -13.21593798
  O     19.95863075      8.87743360    -14.52317968
  H     13.17738807      8.33343199     -8.44592208
  H     18.05416933     10.94421267    -12.98277602
  O     14.08730470     11.63495067    -15.54023188
  H     15.53657804      6.22043324    -11.09167164
  H     19.05076863     10.49668494    -14.07193545
  O     15.92395900      8.41216867    -14.81535251
  H     14.30524925      6.94118004    -11.67831673
  H     19.14816613      8.09791703    -13.01189933
  O     11.30032426      7.69601749    -13.43947592
  H     15.20734646      9.54942694    -13.73330713
  H     18.00673738      8.59402304    -12.10084413
  O     17.00160660      6.74694755    -10.14405890
  H     14.42990932     10.86288919    -13.81135233
  H     15.48224350      9.21984850     -8.92213330
  O     13.20360616      5.60486993    -14.01780331
  H     16.98758332     11.14924423    -17.01258513
  H     16.74384137      9.69070067     -8.16043726
  O     18.44840172     11.20782857    -13.82467876
  H     16.04568776     10.42683899    -17.98319740
  H     14.05543696      9.48576567    -17.75989046
  O     18.52700876      7.81056863    -12.33173445
  H     17.78811629      7.44534612    -16.66408348
  H     13.55587116     10.43002271    -18.87875131
  O     16.44466772      9.34020049     -8.99546403
  H     17.80531727      8.98567096    -17.06527370
  H     13.75206934      9.16012370    -12.15085705
  O     14.14714346     10.37984274    -18.13224914
  H     17.03830962      5.72309103    -15.50899149
  H     12.50791303      8.23101705    -12.15581807
  O     13.27031794      8.50165720    -11.62973378
  H     16.04501316      5.59391084    -16.66020173
  H     13.90971221      7.08864985    -16.85547364
  O     13.96272872      8.04502064    -16.74528036
  H     19.37726151      8.64078376    -15.26808953
  H     14.64366313      8.19763891    -16.07252508
          69
 Energy    -248.16282578757122     
  O     16.30124206      6.50865050    -13.55364281
  H     15.57151726      6.52794241    -12.91924170
  H     19.75518741      8.55832468    -15.14270632
  O     17.67613632     10.34758372    -11.39548477
  H     17.08682513      6.84801340    -13.10183314
  H     15.69423783     11.62229747    -16.17917699
  O     17.38204785     11.06144327    -15.54435400
  H     16.82167183     10.63772888    -11.74413434
  H     14.57797384     10.74560842    -16.77891109
  O     13.04383443      6.61286613    -16.42187741
  H     17.57103720     10.20745225    -10.44689713
  H     15.95482466      8.14697641    -14.25432500
  O     14.69579739      8.52795257     -8.60663832
  H     16.88314752     10.32531468    -15.15961342
  H     15.24596522      8.97069662    -15.36948207
  O     14.18955676      6.77565416    -11.75713424
  H     18.06210319     11.28406517    -14.89237683
  H     12.23225997     10.73072623    -13.55735575
  O     15.22702735     10.85377966    -12.57691800
  H     12.31786385      6.12336422    -16.79871505
  H     10.79855954     10.26366761    -13.23328433
  O     16.83013862      7.40512551    -17.94454330
  H     12.78723114      6.83737896    -15.50921419
  H     18.15803771      7.12607359    -10.55456294
  O     15.25026544      5.95858374     -9.29908623
  H     15.54054481      8.99491938     -8.57804102
  H     17.08870535      6.52661751     -9.59898477
  O     18.84434817      8.88838237    -16.58700538
  H     14.18740168      8.92396567     -9.32671541
  H     12.96914585      6.99394450    -13.17115558
  O     15.75231707      5.68711143    -16.16185412
  H     13.98921320      7.68374337    -11.49018082
  H     12.18192071      8.22083348    -13.69037545
  O     20.22792824      8.47886964    -14.29473385
  H     14.49759467      6.32740542    -10.95951870
  H     19.76327940     10.32200418    -13.76783341
  O     14.74508531     11.60328165    -16.36641229
  H     15.39413398     10.17208232    -13.24958846
  H     18.84870688     10.99610631    -12.73203307
  O     15.71916340      9.04016067    -14.53133256
  H     14.65184076     11.49750387    -13.00250098
  H     19.09508165      7.91951673    -12.95577732
  O     11.71625682     10.00859647    -13.16631531
  H     17.01363563      6.96231068    -18.76893482
  H     18.12325227      8.67075177    -12.01470689
  O     17.90883963      7.03361393     -9.62499379
  H     16.52099668      6.72355603    -17.32009835
  H     17.91675613      9.77172416     -7.96775138
  O     12.42222727      7.31131618    -13.90104945
  H     15.01420581      6.84112745     -8.95820101
  H     17.63229071      8.62601597     -8.97060576
  O     19.31691811     11.15218783    -13.56281885
  H     15.00698122      5.32769116     -8.62689026
  H     14.19087741      9.93065827    -11.43973620
  O     18.40143377      7.78738227    -12.29659269
  H     18.20886866      8.35146095    -17.07360980
  H     12.71152003      9.56276491    -11.54080968
  O     17.37114091      9.52918931     -8.71139201
  H     18.40107174      9.72804183    -16.40568442
  H     13.03470353     13.06330073    -14.20529187
  O     13.50082376      9.40113596    -11.01285569
  H     16.00041521      5.84212416    -15.23960758
  H     13.75974725     11.95235223    -14.99636249
  O     13.25476728     12.13564598    -14.18293723
  H     14.80623714      5.86753461    -16.22283269
  H     15.34897079      8.48425720    -17.51185569
  O     14.56706362      8.87766373    -17.10082019
  H     21.12937658      8.25083479    -14.50541063
  H     13.94051532      8.15516731    -16.96271468
          69
 Energy    -248.16276122250923     
  O     -1.44212659      2.66086415     -6.03757185
  H     -1.64507812      3.30704798     -5.33843380
  H      0.96445586      2.61472236     -2.53464214
  O     -0.07213552      5.02768567     -0.03879559
  H     -1.87081673      2.97183243     -6.83048532
  H      2.29302201     -0.37257039     -2.08528904
  O     -0.98732095     -0.94669877     -0.84956240
  H     -0.18140290      5.54405770      0.77423947
  H      1.44774354     -0.65829619     -3.36752456
  O      1.67433597      4.24242673      3.42049524
  H     -0.65694362      4.26457633      0.05582029
  H      1.46237695      1.41505523     -5.46922738
  O      2.00138870      3.84858804     -3.36887946
  H     -0.89807771     -0.50179906      0.00216935
  H      0.42911403      2.50368357     -5.80569511
  O     -0.53518841      2.37559198      3.69349673
  H     -0.11825431     -0.95159234     -1.27044432
  H      4.04222600      2.41382446     -1.44632665
  O     -0.60090468      0.68124760      1.50142056
  H      2.38418954      4.41306273      4.03508587
  H      3.35091353      3.58775561     -2.16124370
  O      1.71417075      1.55878697      0.34206055
  H      2.07240917      4.23250664      2.53427109
  H      0.18536713      6.77839987     -2.69570097
  O     -1.96056250      4.34847529     -3.99362487
  H      1.84064730      3.41923941     -4.22385568
  H      0.02951610      5.58964227     -1.72165755
  O      1.24626496     -0.51047330     -5.17833779
  H      1.40363083      4.60013790     -3.27750852
  H     -3.53239204      4.23946927      2.97907613
  O     -2.90056489     -0.37262835     -2.66933681
  H      0.25147347      2.93350704      3.66138089
  H     -2.45907748      3.78616872      1.96270735
  O      0.40757925      1.98570786     -2.05736106
  H     -1.28058884      2.97924904      3.58931718
  H      3.08975209      4.01121312      0.05484560
  O      1.40620425     -0.58244105     -2.40425371
  H     -0.63756724      1.09481700      2.37650220
  H      1.65851253      4.52716562      0.41260333
  O      1.35452313      2.36811476     -5.56453162
  H      0.28615958      0.88276502      1.16729155
  H      4.39236681     -0.06687125     -0.60513654
  O      3.91949765      3.36731595     -1.40836301
  H      2.02662157      2.41779013      0.65253189
  H      3.08235572      0.74319044     -0.47759704
  O      0.10258384      5.82828214     -2.66122550
  H      1.20821289      1.74039992     -0.46592829
  H     -1.53247970      0.89720296     -5.37204081
  O     -2.59106183      4.20591332      2.83045401
  H     -2.22569214      3.70587716     -3.31961421
  H     -1.94903003     -0.14400122     -4.29350470
  O      2.48211091      4.18616009      0.78959485
  H     -1.30202621      4.91749069     -3.57969176
  H     -1.34879719      2.19496417     -2.13760809
  O      3.73606728      0.40422324     -1.11362847
  H      0.27674239     -0.39900325     -5.16974560
  H     -2.68573203      1.44123994     -2.34329195
  O     -1.39120086     -0.00888386     -5.06809555
  H      1.44783363     -1.12403727     -5.87965177
  H     -1.49133941      2.14393552      0.81291479
  O     -2.31434097      2.30877555     -2.14449593
  H     -2.24276395     -0.63193103     -1.99803626
  H     -2.23400684      2.75868081     -0.40702722
  O     -1.91638706      2.94871661      0.48541169
  H     -3.64456891     -0.95955204     -2.56679056
  H      0.29853489      5.52514244      2.94411613
  O     -0.41008143      6.00479240      2.49697778
  H      0.68011258      1.09264581     -2.30927232
  H     -1.22198324      5.52712442      2.71370146
          69
 Energy    -248.16248737051899     
  O     16.09862488      7.36196486    -17.05907847
  H     16.49264912      6.76892801    -16.39908480
  H     17.38217277      0.98321345    -16.02499998
  O     13.84357004      5.63531602    -16.80222117
  H     16.14347201      8.23744577    -16.65898601
  H     20.00769104      4.20935753    -13.71317850
  O     17.40324080      6.46900189    -12.69920382
  H     13.50104057      5.89874036    -15.93690742
  H     20.99365846      4.74503916    -14.78250220
  O     21.39152236      4.55869625    -16.63904993
  H     14.47937326      6.32179704    -17.04077925
  H     19.17946918      6.59077703    -17.59606812
  O     19.13497577      3.52270741    -17.71712225
  H     17.23732876      5.60600386    -12.29710997
  H     20.40676746      6.13141840    -16.76422594
  O     11.67702581      6.27167804    -11.81401796
  H     18.32190431      6.72394180    -12.54678940
  H     17.45969564      5.93031401    -14.42833234
  O     14.45123187      3.87935860    -13.53965353
  H     22.17700658      4.20292877    -17.04461033
  H     18.32498350      5.89524590    -15.71565784
  O     15.31100261      8.11611802    -13.28116480
  H     20.63177046      4.10154336    -17.04345517
  H     15.19854654      5.16700270     -8.74689575
  O     18.75174405      2.96884328    -13.42608641
  H     18.53761259      4.19436892    -18.06304337
  H     14.81522918      5.90770912    -10.04885685
  O     12.89960814      3.92117905    -11.17858888
  H     18.61938649      2.94439930    -17.14092320
  H     14.94267733      4.23390687    -16.44362756
  O     19.08146568      8.75466485    -14.93305233
  H     10.74841726      6.29633716    -11.60125386
  H     16.33557809      4.35160944    -15.78209112
  O     17.63653677      1.89570530    -15.91182204
  H     12.00317161      5.39056187    -11.55663786
  H     20.73554071      7.43700165    -12.04838383
  O     20.63373591      4.92348950    -13.90800622
  H     14.06479998      4.75311918    -13.69795770
  H     20.33899066      6.40780808    -13.13656092
  O     19.69791276      6.78595523    -16.80535614
  H     14.81717205      3.60837329    -14.38966854
  H     15.87085906      3.89500699    -12.42676848
  O     17.45933555      5.66868859    -15.35771596
  H     16.06625938      7.55717398    -13.03802177
  H     16.20911328      4.23972580    -10.96257612
  O     15.09119039      5.04670812     -9.68658075
  H     15.63307008      8.72297160    -13.95666840
  H     14.54271031      7.76768686    -11.56592242
  O     15.65637116      3.71169355    -16.05096500
  H     18.03142095      3.17892613    -12.81923367
  H     13.23347368      7.12696458    -11.07086470
  O     20.06830854      7.23729794    -12.69842926
  H     18.35830977      2.56588259    -14.20789517
  H     17.12805992      6.48496118    -18.28329633
  O     16.60776182      3.97895561    -11.80249409
  H     13.59539391      4.16659487    -10.55592216
  H     17.62726151      6.08047486    -19.68486575
  O     14.13236011      7.35055199    -10.79821402
  H     13.35781382      3.68393802    -11.99634254
  H     13.99027688      7.01705475    -13.87642065
  O     17.80293247      5.96873673    -18.75358875
  H     19.36378304      8.16657305    -15.64799390
  H     12.62937662      6.41018890    -13.43701332
  O     13.31459555      6.36583280    -14.11475570
  H     19.44433045      8.37114566    -14.12672906
  H     17.46794666      9.33960339    -15.19155907
  O     16.54694787      9.60420949    -15.37203369
  H     16.82732231      2.42799788    -16.00769949
  H     16.55476988     10.54903471    -15.49961191
          69
 Energy    -248.16231601228992     
  O     12.13059563     10.03446270    -16.22087756
  H     11.55658876      9.48936870    -15.66738646
  H     20.77197088      7.10075931    -12.80769708
  O     16.21017861      6.13434844    -13.21622147
  H     12.62652201     10.61359789    -15.62684287
  H     17.03395753     11.61125117    -16.08401734
  O     16.83773585     10.15808320    -12.68730457
  H     15.30455290      6.21760689    -12.88459782
  H     16.01024223     11.04243951    -17.07254276
  O     18.95646719     11.33430696    -15.92891359
  H     16.77369220      6.60018449    -12.58664583
  H     16.84623824      8.55968139    -15.40764973
  O     14.10400833      5.66520854    -16.21783853
  H     16.45619383      9.72187874    -13.46394132
  H     16.16006236      7.64223069    -14.34487266
  O     13.88438289     10.08504642    -10.48832227
  H     16.25272922     10.87765248    -12.42821704
  H     11.19663224      7.38636042    -14.45887402
  O     13.79941343      6.71101800    -12.05454762
  H     19.22216739     11.01600645    -15.04762500
  H      9.82777840      8.09575224    -14.32515819
  O     18.11054148      8.80709424    -16.78803792
  H     19.61336988     11.96826968    -16.20311000
  H     12.79249805      5.76307641    -14.97179578
  O     15.33225213      7.64859621     -9.82394798
  H     15.01707383      5.37329608    -16.13656427
  H     12.63949438      5.97343918    -13.44717001
  O     19.03451589      6.60016645    -15.37399062
  H     14.13415178      6.56341336    -16.57496465
  H     18.58852813     10.35688999    -13.14202160
  O     16.81703080      4.79842556    -15.50090680
  H     14.38263928      9.33066673    -10.15595382
  H     19.76229021      9.38140757    -13.34032706
  O     19.91431422      7.48496386    -12.96958644
  H     13.40035576      9.76004544    -11.26242705
  H     18.46246030      7.66036901    -11.80780632
  O     16.08857835     11.56860581    -16.26833597
  H     14.18619628      6.90119537    -11.19212072
  H     17.30096549      8.68079173    -11.78943384
  O     16.10943020      8.49947153    -14.78458397
  H     13.52646623      7.56818313    -12.41796831
  H     14.57203052     11.46846779    -11.29760949
  O     10.75871583      8.25739096    -14.44898157
  H     17.47813754      8.99409990    -17.49391284
  H     15.02197267     12.94522375    -11.42793292
  O     12.14492951      5.94310982    -14.27366296
  H     18.50413049      9.65679031    -16.54784822
  H     15.31796053      9.15139059    -17.99448801
  O     19.48418326     10.28909677    -13.50460271
  H     15.51160707      7.30888485     -8.95029304
  H     15.73782753      9.72657504    -19.36772726
  O     17.58759986      7.82457031    -11.43326469
  H     16.18304508      7.67532618    -10.29096759
  H     13.36132955      9.81221290    -13.51772965
  O     14.97689894     12.11865097    -11.90006909
  H     18.82080422      7.32390457    -15.97910370
  H     12.08978947      8.93345631    -13.37159336
  O     16.02116348      9.63614518    -18.46226141
  H     18.36109845      5.92498045    -15.51684813
  H     14.74147642     11.37884047    -15.08316401
  O     12.91755449      9.17815967    -12.93870466
  H     16.84764644      3.84977698    -15.39761488
  H     14.26315163     11.74349746    -13.65238000
  O     14.01610703     11.26325004    -14.45064314
  H     16.59266943      5.16653805    -14.62760163
  H     13.44565020      8.94261496    -16.70756507
  O     14.24112437      8.40703418    -16.83993238
  H     19.61134582      7.13680303    -13.82769132
  H     14.78379573      8.49183440    -16.04202845
          69
 Energy    -248.16210359513803     
  O     -1.89390528      4.16466118      5.16776348
  H     -1.55174625      4.01577063      4.27484875
  H     -0.21456440      2.89143389     -2.35961640
  O      1.17223440      1.15082902      0.32005558
  H     -1.73673897      3.34464108      5.65145865
  H     -4.86316514      5.09403759      5.71614322
  O     -1.45263556     -1.12177383      2.79946833
  H      0.80325142      0.25614763      0.31139148
  H     -3.59041487      4.45171219      5.11340275
  O     -4.13319324      1.39296821      0.25278448
  H      0.68229763      1.63950104     -0.35108620
  H     -1.51311831      3.98093055      0.95573330
  O     -3.33834401     -2.34554452     -1.66283188
  H     -1.94424591     -1.95226918      2.82102780
  H     -2.76110508      4.23930477      0.08268794
  O     -0.35000288     -1.15822461      0.25832500
  H     -0.99364722     -1.09912421      1.94763897
  H     -5.35711676      4.07912802      3.43497267
  O     -6.56622137      1.15407952      3.68363298
  H     -3.70472196      1.34678782      1.12201890
  H     -6.13942445      2.87632741      2.87266127
  O     -1.74515239      1.54586539      6.36568020
  H     -4.35079699      2.31969323      0.10006515
  H     -1.68447061      2.59719031      2.63386640
  O     -2.25392460      0.18319911     -1.32108710
  H     -2.96299257     -1.45043538     -1.64206934
  H     -0.18215456      2.99033556      2.70235997
  O     -6.14859184     -0.29614986      1.22609142
  H     -3.63344223     -2.49558102     -2.55771095
  H     -5.05896488      4.05039175      1.07423040
  O     -2.85740591     -3.51218658      2.47571996
  H     -1.01013101     -0.69057460     -0.27189348
  H     -5.26885260      4.67494881     -0.32367943
  O     -0.55197182      2.40586505     -1.61164175
  H     -0.51720672     -2.10291879      0.13170131
  H      2.29720907      2.43228062      2.95628928
  O     -4.56482250      4.42849644      5.10251568
  H     -7.32353913      0.97482931      4.23676111
  H      1.38626547      1.73306485      1.91968076
  O     -1.80347440      4.13435495      0.04595596
  H     -5.79330750      1.16887166      4.27037586
  H     -0.45128086     -0.23322177      4.06228657
  O     -5.75520104      3.72634583      2.62938005
  H     -1.45812130      1.33328370      7.24955929
  H      0.54442878      0.94773250      4.07242896
  O     -1.07524865      3.35068177      2.63080300
  H     -1.10799648      1.12640763      5.75917315
  H     -4.43729047      2.57531297      5.20024071
  O     -4.66072835      4.15103813      0.19097912
  H     -1.66242309      0.90409190     -1.57019831
  H     -3.45579116      1.46895391      5.64930239
  O      1.42051350      2.07984188      2.82991066
  H     -2.96093469      0.58516157     -0.79288390
  H     -5.32513518     -1.87340199      0.98325931
  O     -0.02129010      0.41154952      4.64077723
  H     -6.34531068      0.12562814      2.06933023
  H     -4.40927919     -2.54741677     -0.07159312
  O     -4.27150711      1.62276997      5.15442012
  H     -5.52959536      0.29855278      0.78059809
  H     -2.05404756     -3.39610569     -0.63774130
  O     -4.77133506     -2.64964935      0.81560353
  H     -3.17368247     -4.24779307      2.99211167
  H     -1.82318632     -3.78198626      0.83450179
  O     -1.37631315     -3.69235876     -0.01647952
  H     -3.60487199     -3.21124258      1.92501465
  H     -3.39612976      1.35430424      3.50756831
  O     -2.88852357      1.23362977      2.69739180
  H     -1.00790156      3.05123886     -1.04116909
  H     -2.43012728      0.38307505      2.75792065
          69
 Energy    -248.16207159381486     
  O     19.93196567     10.76502552    -10.21083565
  H     19.47692154     10.71919107     -9.36071191
  H     18.91745506     11.24445315    -11.68253429
  O     18.66764167      6.81236306     -9.43255330
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  H     22.65171742      9.49721672     -9.56275013
  O     19.96466597      4.20938260    -12.08849621
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  H     23.40975974     10.84480241     -9.52882002
  O     20.78443172      5.77286332    -14.36960089
  H     17.90528317      7.36825347     -9.21692234
  H     19.32303366      8.10063855    -13.16673339
  O     22.40711356      7.95920315     -8.81194868
  H     20.18675906      4.62224055    -12.93111580
  H     19.59551568      8.88410931    -14.45677360
  O     17.39381036      5.20888216    -11.36357955
  H     19.03199897      4.40492188    -11.92953080
  H     20.93422547      4.93189396    -10.74405761
  O     22.22259182      7.02918612    -12.27127310
  H     20.20681285      6.55298514    -14.40857719
  H     20.51196216      5.84319642     -9.59910535
  O     20.08903555      8.15383941     -7.32545508
  H     20.95140941      5.50462612    -15.26960187
  H     13.75104034      7.46821893    -12.49920879
  O     14.30019271      7.39660738     -9.25255316
  H     22.31336731      7.07214569     -9.16969345
  H     14.93488560      6.79525937    -13.21741225
  O     19.79918534      8.24725349    -11.44702568
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  H     17.79954595      5.66939208    -10.61669289
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  H     16.48579591      5.00128445    -11.10799109
  H     17.05642487      6.44763144    -12.67302473
  O     22.69149346     10.38759917     -9.95768618
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  H     19.59831917      8.98391858     -7.33209175
  H     22.62954748     10.10382077    -11.84710616
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  H     19.58438548      7.56665811     -7.90171826
  H     15.84132955      8.25755682     -9.00151608
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  H     13.91992739      7.95972565     -9.93938878
  H     16.64999095      9.04028976    -10.06417169
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  H     14.39389353      6.52272657     -9.65057539
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  H     13.13563983      9.88424753    -11.61864500
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  H     19.85430032      9.13781007    -11.07647633
  H     20.80689970     11.14054693    -15.06361093
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  H     17.96259241     11.01303023     -7.27034391
  H     21.20231904     10.31449491    -13.81835958
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  H     14.35415062      5.49123597    -11.56760893
  O     14.64094363      4.97402643    -10.79329792
  H     19.01580593     11.07558405    -13.20515394
  H     14.07476831      4.20786142    -10.74715031
          69
 Energy    -248.16201468803618     
  O     16.37508504     11.69866425    -12.14358305
  H     16.26100894     12.09193633    -11.26973182
  H     12.81719559      6.02388624    -14.66809042
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  H     13.01369739     11.83216944     -8.52645232
  O     14.81137144      5.89996777    -11.80896490
  H     18.74023776      7.40477113     -9.00687991
  H     12.99964284     12.22241879    -10.02270137
  O     17.39779650      5.16311716    -10.91481858
  H     17.83820110      8.39088416     -8.23700784
  H     14.99838366      8.94576212    -15.70329718
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  H     14.50082350      6.01506335    -10.89907753
  H     15.02015335      8.70192861    -14.17347334
  O     17.86145776      9.39765585    -11.27552396
  H     14.06350768      6.02300009    -12.40379952
  H     20.17978901      6.69965863    -11.08195701
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  H     17.18489661      5.03601746     -9.98109184
  H     18.67704485      6.36113011    -10.93166770
  O     10.44679660      9.41569837     -9.15974574
  H     16.54970196      5.28793323    -11.35829483
  H     15.00719763      5.77837240     -8.68622400
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  H     14.28431491      7.13897713     -8.73882564
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  H     11.45024240     11.22099984    -11.79138617
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  O     13.44881379     12.38887080     -9.18147994
  H     16.39626388     13.43695635     -9.13780313
  H     11.35056263      7.36623309    -13.17684630
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  H     15.15639444     12.52738018     -9.30419676
  H      9.04887187     10.40436483    -12.27410244
  O     19.34091209      7.06394278    -10.81319611
  H     10.82142806      8.54967956     -9.37179586
  H     10.12915042      9.30002349    -12.23547542
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  H     10.16417194      9.78621558    -10.00321284
  H     11.77874849     10.67926268     -6.57953180
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  H     16.01219912      9.56792230     -8.52512110
  H     11.52579205     10.15301573     -8.01166099
  O     10.62912223      7.65107222    -12.60527160
  H     16.73164946     10.89147889     -8.85853667
  H     14.89855693     11.56778780    -13.20700843
  O      9.89955807     10.18541327    -11.90290940
  H     13.19211845     10.03402765    -11.22960878
  H     14.10060092     10.65092792    -14.17355298
  O     12.20846149     10.50486821     -7.41233018
  H     14.33110048      9.04232282    -11.63472047
  H     14.11629818      9.10561839     -9.33691629
  O     14.04853302     11.46383333    -13.66365233
  H     12.40874728      7.89263475    -10.54916945
  H     13.66489261      9.42370800     -7.89555991
  O     14.32779063      8.94108685     -8.40337019
  H     12.44924231      6.63703486     -9.66501905
  H     16.52463301      8.69776183    -12.19686488
  O     15.75339800      8.34995476    -12.66255785
  H     13.40170529      7.41779403    -14.36506162
  H     15.56724546      7.46066424    -12.33266440
          69
 Energy    -248.16198680249761     
  O     19.68975159     10.30942283     -9.25038130
  H     19.37390526      9.90708730     -8.43343928
  H     17.79383667      8.56827202     -7.54918039
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  H     19.01285306      7.00763249    -10.34407834
  H     18.54239839     11.10983541    -10.42287955
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  H     22.65205098      9.13774083     -9.44039110
  O     17.71122807      5.10007903    -12.07858456
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  H     19.25857605      9.88526915    -13.83626560
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  H     13.75445448      7.27367094    -12.38543339
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  H     19.90158444      7.56881926     -7.35544937
  H     23.26221528     11.26480307    -12.58779441
  O     14.13983519      6.63818534    -13.00127563
  H     19.85456092      6.47584653     -8.42356602
  H     15.84650789      7.28852223     -8.71370355
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  H     14.01558798      6.95766697     -9.81385223
  H     14.39855844      8.88442753    -10.94465034
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  H     21.66945940      6.17781626    -11.84199438
  H     12.89598892      9.18570648    -10.74709233
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  H     22.48132981      6.81778068    -10.62827209
  H     20.78796945     11.34103525    -12.97829471
  O     13.51537699      8.47883339    -10.90823882
  H     19.81741731      9.02435546    -10.57233304
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  H     14.61745239      5.18228890    -12.13460730
  O     14.98788264      4.47754886    -11.57357494
  H     18.21594504      9.23622650     -6.22066581
  H     14.46582562      3.69570351    -11.73457566
          69
 Energy    -248.16188805530800     
  O     -3.23612622      4.86451167      4.28989613
  H     -2.95606301      4.79181376      3.36104151
  H     -2.36651612      3.05707915     -1.47633520
  O      0.75404136      2.02710894     -0.66228641
  H     -3.05292490      5.75939969      4.56416963
  H     -5.23872894      2.49648460      4.57914565
  O     -1.03613394      0.10118465      2.46043631
  H      1.43681517      2.32308053     -1.25892870
  H     -4.90457182      3.97568421      4.34422606
  O     -4.61320530      0.66493665     -0.07246880
  H     -0.09823808      2.23756242     -1.08652609
  H     -3.78417736      5.10056816     -1.42895687
  O     -3.68626260     -2.82427247     -0.98761789
  H     -0.44719374      0.57640251      3.05826385
  H     -4.43284110      3.99170851     -0.56704297
  O     -0.20633791     -0.57336178     -0.06425018
  H     -1.75146968      0.71839828      2.23716036
  H     -6.71881445      2.93675208      3.03010267
  O     -6.51283104     -0.09864315      3.12547557
  H     -4.84647574     -0.13451590      0.41798333
  H     -8.16974344      2.84548055      2.51102544
  O     -2.08681635      2.44136156      5.29333839
  H     -3.89831173      0.41387667     -0.67213044
  H     -1.49265807      4.16720202      1.67829763
  O     -2.53306513     -0.28276316     -1.60873870
  H     -2.80543214     -3.05262984     -0.63558186
  H     -2.77344803      4.53294100      0.83777508
  O     -4.93012036     -1.70271524      1.31674370
  H     -3.95441215     -3.54601286     -1.54973734
  H     -5.50769658      2.21162200     -0.21590695
  O     -1.61368826     -3.90714005      2.70991061
  H     -0.46825841     -0.41084943      0.85480569
  H     -6.37708127      3.06638857      0.70957554
  O     -1.68156124      2.44293321     -1.76404631
  H      0.28540057      0.21274087     -0.32976280
  H     -3.45255464     -0.96404106      3.97285547
  O     -5.63548538      3.34611882      4.35321674
  H     -6.19929130     -0.69794566      2.43748407
  H     -2.21778447     -1.09720431      3.07182502
  O     -3.58230163      4.39465405     -0.82018714
  H     -6.83732930      0.69902723      2.68988536
  H      0.40243418      2.93623765      0.97538029
  O     -7.27193716      2.59507463      2.30590958
  H     -2.45876694      3.29775311      5.04618833
  H      0.28316321      2.94184093      2.52327067
  O     -2.42832848      4.42304911      1.73177332
  H     -2.80511690      1.80320993      5.21063603
  H     -0.52322069      2.09702209      4.59608576
  O     -5.83241361      3.11519540     -0.08433831
  H     -1.71654861     -0.39452983     -1.09936397
  H      0.99177089      1.84738366      4.79006221
  O     -2.98540342     -1.58710173      3.40691878
  H     -2.96451033     -1.14614560     -1.60399607
  H     -5.12490995      0.42282321      4.11917765
  O      0.10438557      3.45948398      1.72934351
  H     -4.58990671     -2.19672326      0.55933670
  H     -3.87875614      1.16700291      3.59124936
  O      0.30503401      1.88286739      4.12990562
  H     -4.25269084     -1.74657674      2.00516870
  H     -1.26696043     -3.52261827      0.95491048
  O     -4.27577263      0.80022031      4.39947371
  H     -2.14977418     -3.18888031      3.07838471
  H     -0.70394084     -2.43755440     -0.01011194
  O     -1.23602171     -3.24118740      0.02933671
  H     -1.57412892     -4.57945945      3.38552643
  H     -3.71036665      1.45281723      1.28485216
  O     -3.18048932      1.74023900      2.03940510
  H     -2.09537737      1.57961948     -1.88666224
  H     -2.96743666      2.67328546      1.92453740
          69
 Energy    -248.16182415146488     
  O     12.44574219     12.51611436    -13.11386608
  H     11.96440543     11.80834735    -12.66927813
  H     17.40529811     12.17478501    -14.81990120
  O     20.14905790      8.18104283    -11.44337877
  H     12.90491424     12.99890411    -12.41554980
  H     12.57289467      6.45553795    -15.07965704
  O     17.57360518     10.99832352    -11.79137782
  H     19.43097288      8.44219050    -10.85414179
  H     12.74155576      7.41759402    -13.88164881
  O     12.33774152      7.79637244    -12.24231637
  H     19.94957581      7.27517996    -11.71363876
  H     15.93937927     10.42560574    -12.29809500
  O     16.83008267      6.39648915    -11.35607898
  H     17.96723203     10.82600638    -12.65744269
  H     14.78103460     10.52637732    -13.34097819
  O     14.26489618      7.18562260    -10.26459496
  H     17.72101414     10.23000114    -11.22367138
  H     13.93059823      8.51579753    -15.96309253
  O     19.29759642      5.68557869    -12.54928669
  H     12.96620976      7.55643021    -11.54597236
  H     14.34104121      9.99825777    -15.95587952
  O     14.32871103     11.47417062    -14.82086318
  H     11.96463144      8.65056339    -12.00209009
  H     14.81584237      9.97328283     -9.10602089
  O     17.01178198      8.54430563    -15.49993603
  H     17.64546665      5.99862181    -11.68235334
  H     15.17242430      9.45785988     -7.69248470
  O     17.68182814      8.75907804    -10.15945783
  H     16.36308446      6.72268809    -12.14321497
  H     20.58381269      9.05314536    -12.89270793
  O     19.37394824      7.15036911    -14.84540893
  H     15.06396313      6.72651031    -10.55055570
  H     21.69481892      9.65293499    -13.78659466
  O     16.78950468     12.91647580    -14.94358854
  H     14.56892326      7.84096339     -9.62760305
  H     16.50153762     13.48421760    -13.12604040
  O     13.09402182      7.18775592    -14.76146128
  H     19.28481158      6.13301547    -13.41432144
  H     16.88189517     12.70381662    -11.86482173
  O     15.06858045     10.07760321    -12.53411643
  H     19.75222758      4.85719155    -12.67645539
  H     14.87254813     13.64983040    -11.39780677
  O     14.48517617      9.16054258    -16.41797246
  H     15.07655701     12.07523745    -14.91701334
  H     13.89504762     14.51809471    -10.57042915
  O     15.36060165      9.33265923     -8.61939575
  H     13.62169582     11.93146550    -14.34075006
  H     17.87995310      9.97045575    -14.86432217
  O     20.76508456      9.44310871    -13.76704560
  H     16.24797563      8.78504095    -16.04212814
  H     19.27358456     10.37761240    -14.30612910
  O     16.40084308     13.48722874    -12.16720022
  H     16.61823945      8.12164528    -14.72223081
  H     10.65154143     10.44842896    -10.81926416
  O     13.99793817     13.65768050    -10.96717746
  H     16.99932457      8.99289853     -9.51948225
  H     12.19145789     10.57115399    -10.85641177
  O     18.37635218     10.69925895    -14.46110188
  H     17.38990315      7.92916844    -10.56614164
  H     14.24255793     10.58183320    -11.06228466
  O     11.40660610     10.40011746    -11.40160307
  H     18.57979474      7.53515338    -15.23899547
  H     13.91517176     11.92294478    -10.35107374
  O     13.86686745     10.96325864    -10.25036473
  H     19.94211388      7.89695313    -14.62090433
  H     15.29575392      8.36609992    -13.03137250
  O     15.51918261      7.51328496    -13.43570433
  H     17.11074559     13.41559771    -15.69073365
  H     14.73913896      7.23700449    -13.93255345
          69
 Energy    -248.16153268667193     
  O     -3.70017407      0.97648108      1.25662889
  H     -4.32783455      1.67519936      1.09450311
  H     -0.81785031     -4.91155586     -2.48345428
  O     -2.84275856     -0.87497757      6.18622374
  H     -4.04025123      0.18159411      0.80571673
  H     -1.58486620     -5.51271354      1.11467259
  O      0.41835938      0.36345932      3.43516440
  H     -3.01483087     -0.68261222      5.25165739
  H     -0.08888132     -5.89200585      1.06912331
  O     -3.14058165     -0.71809377      3.39705870
  H     -3.36143314     -1.66220517      6.39043783
  H      2.53032694     -1.87369991      4.27906015
  O      1.90612896     -2.91010122      5.82435762
  H      1.24475976     -0.15084130      3.40107273
  H      2.20337346     -1.93107936      2.77567555
  O     -4.06232798     -3.49359555      6.29877052
  H      0.61923782      1.17090202      3.90373632
  H     -1.57807515     -2.04399171      0.88279815
  O     -0.46453318     -1.71730212      5.18556708
  H     -3.39965436     -0.01738080      2.78664421
  H     -0.40978072     -2.45174496      1.82065572
  O      0.78418558     -5.29751277      4.74765026
  H     -2.46905872     -1.23703380      2.93309924
  H     -3.63729739     -4.38015889      1.95284637
  O     -5.26082545     -2.48249628      3.91578858
  H      2.15860739     -2.73583705      6.72772139
  H     -2.23523917     -3.72853973      2.04145425
  O     -0.84504336      0.99024783      0.93377595
  H      1.05117018     -2.46573934      5.68254907
  H      1.45995222     -2.82906941      0.67661658
  O      1.42888540     -5.75958225      2.16705756
  H     -4.25882787     -4.10850586      7.00052376
  H      1.41463261     -3.93976946      1.77552452
  O     -0.71377657     -4.33601957     -1.73085764
  H     -3.27400727     -3.83330006      5.84236944
  H     -5.40113877     -3.27381931      2.39945449
  O     -0.88015744     -5.80813332      0.52304145
  H     -0.25199406     -1.04591347      4.52606037
  H     -6.14578814     -4.13298181      1.34699087
  O      2.52135728     -1.34066255      3.47632651
  H     -1.22464347     -1.38742522      5.68774143
  H      0.77231632     -3.17120687     -1.39717816
  O     -1.34941653     -2.22429482      1.80420467
  H     -0.14997764     -5.08097782      4.86124516
  H      1.03618532     -1.65824460     -1.22844480
  O     -2.72564299     -4.54738442      2.21951050
  H      1.27594008     -4.56916075      5.14747141
  H     -0.24810107      0.35940373     -0.55419296
  O      1.32530704     -2.99187538      1.62261541
  H     -5.01141650     -2.87566147      4.75979970
  H      0.16728035      0.63087884     -2.01950742
  O     -5.32312832     -3.68223729      1.51705778
  H     -4.58265472     -1.81837198      3.72664305
  H     -1.64809346     -2.82229208     -1.26843707
  O      1.41552970     -2.53130191     -1.06616183
  H     -0.46290372      0.71941632      1.77768709
  H     -1.38756509     -1.29174787     -1.22107906
  O     -0.01315786     -0.06868982     -1.39782931
  H     -1.79966436      1.04843127      1.05996460
  H     -1.37220204     -3.33748615      4.80510299
  O     -2.00322929     -1.98374002     -0.94588197
  H      1.20429883     -5.66274953      3.10964427
  H     -2.17286425     -4.37877897      3.94587480
  O     -1.83031475     -4.18971452      4.83152868
  H      2.18808713     -6.33468910      2.12225343
  H     -3.68755944     -1.59709468     -0.40031053
  O     -4.48555103     -1.32660947      0.07702854
  H     -0.76729046     -4.89935669     -0.93776661
  H     -4.81646201     -2.11568957      0.52020769
          69
 Energy    -248.16143411407049     
  O     15.01678949      9.89059889     -9.28621142
  H     15.53760833     10.68654912     -9.12205349
  H      9.39494068      5.52785022    -14.27723177
  O     17.89149478     12.04795688    -13.21919591
  H     15.54834922      9.32961075     -9.86843836
  H     11.03554563     10.13403107    -10.70539524
  O     11.83916297     10.90301964    -14.70373178
  H     18.05821978     11.47096581    -12.45154515
  H     10.36744316      8.86734538    -10.15822967
  O     10.55073088      8.78645318    -13.40180618
  H     18.73119665     12.42275292    -13.47034180
  H     13.33075677      6.65036906    -11.85765175
  O     13.71143886     12.02921455    -13.02847533
  H     12.42696001     10.46843672    -15.32918552
  H     14.21854746      5.61522145    -11.12938328
  O     15.78079470     10.74859863    -14.48171724
  H     11.29557836     10.20250152    -14.31573460
  H     10.25310165      7.14237923     -8.34323609
  O     16.60041822     12.19156115     -9.25282295
  H     10.21336469      7.89629178    -13.55237906
  H     10.78855364      6.72338157     -9.73136882
  O     16.58261178      8.19770547    -10.92313954
  H     10.29474130      9.06220052    -12.50606561
  H     16.52521198     13.01766322    -12.22443233
  O     12.59118344      5.55492717    -14.42027222
  H     12.93738284     11.79242865    -13.56098536
  H     14.99328753     13.02287534    -12.05048786
  O     18.17020848     10.53474253    -10.99275642
  H     14.45696613     11.61390801    -13.48102566
  H     14.00010659     10.45090798    -17.18949561
  O     13.05526135      8.38621185    -12.26890509
  H     16.56455451     11.21244831    -14.16251177
  H     14.67269864     10.28494400    -15.80785282
  O     10.00208224      6.04368825    -13.75365924
  H     15.77814266      9.87037771    -14.07126162
  H     14.78232656      6.43901584     -9.22413084
  O     10.24518643      9.58290408    -10.79382942
  H     16.26842505     12.63997091    -10.05164141
  H     15.78885736      5.26726992     -9.10369682
  O     13.50938952      5.69980100    -11.77525486
  H     16.79642245     12.87213980     -8.61498658
  H     11.74781793      5.43804619    -11.21992779
  O     10.85127538      7.40499524     -9.03872562
  H     16.33484855      7.36146824    -10.50921655
  H     10.38883580      5.70010793    -11.88947566
  O     15.81980262     13.27349649    -11.61774822
  H     16.29138045      8.14663587    -11.84424602
  H     14.88793796      6.78790025    -16.67250047
  O     14.02890569      9.88767808    -16.41916811
  H     13.18206735      6.09278782    -14.95780966
  H     14.23651582      8.08716056    -16.15146241
  O     15.44127472      5.91137869     -9.71425692
  H     13.01758873      5.45903795    -13.55667182
  H     13.99999235      8.42497520     -8.61941436
  O     10.80777551      5.56597761    -11.03175772
  H     17.76015411      9.66139107    -10.94303040
  H     12.70536355      7.55975590     -8.67678004
  O     14.46305388      7.17497741    -15.91002721
  H     17.76503321     11.06331334    -10.29374252
  H     14.60276587      8.32122340    -13.05337060
  O     13.65621261      7.52851450     -8.51642680
  H     12.23191928      8.42712244    -12.77268876
  H     15.31730896      7.69478991    -14.26943267
  O     15.47313387      8.21350980    -13.47302804
  H     13.01127546      9.12036899    -11.64419345
  H     13.13008515     11.24537957    -11.48460558
  O     12.81527049     10.70621677    -10.74577173
  H     10.89854888      5.83210570    -14.07146612
  H     13.56756217     10.52954809    -10.16583103
          69
 Energy    -248.16140890840512     
  O     14.11370275     11.56530075    -14.34828353
  H     14.87420364     11.23985881    -13.84237474
  H     12.84149571      6.51352003    -15.94201392
  O     14.93763746      6.02318836    -13.57009426
  H     13.96261380     10.93071952    -15.06081109
  H     20.19176766      5.85033387    -14.90439191
  O     18.19475982      8.81613886    -11.79952694
  H     14.41996136      5.82286282    -14.36569001
  H     19.63067691      7.25372277    -14.55548920
  O     18.57635626     10.27647206    -16.38819033
  H     14.33890041      6.35260605    -12.88620075
  H     15.39718604     10.80362175    -16.83172028
  O     11.67401952      8.07229938    -15.96400205
  H     18.22410197      8.78535759    -10.83567897
  H     15.70903537     11.96553242    -15.90394531
  O     15.28173078      8.70840902     -8.71302790
  H     17.91389596      7.93641330    -12.09244621
  H     15.44857180      7.52799669    -14.37600282
  O     13.40595351      7.18565116    -11.56081993
  H     17.71386065     10.72095809    -16.43838361
  H     16.47405755      8.05156408    -15.42483123
  O     16.15073456     10.26470579    -12.95020757
  H     19.16833351     10.77743281    -16.94500263
  H     12.78727352     11.40608290    -13.16373289
  O     15.15692219      7.14846530    -17.90077289
  H     10.79063772      7.97381600    -16.30873290
  H     11.59849604     11.92660853    -12.32059077
  O     14.48040605      5.99481854     -9.26068369
  H     11.58983335      8.19788089    -15.00143579
  H     17.32626703      5.82653385    -10.83930161
  O     17.70112622      7.60990302    -16.69554655
  H     14.86367658      9.20566912     -9.42917206
  H     17.53419522      6.62886152     -9.53933344
  O     13.57935194      5.89389251    -15.92454364
  H     14.91196120      7.81824780     -8.75916308
  H     12.07987870      7.91968291    -12.68964202
  O     19.38250384      6.34633932    -14.81310007
  H     13.64411692      6.67929733    -10.77389057
  H     11.66756975      9.38085999    -12.98550232
  O     16.09390487     11.43523248    -16.60643305
  H     13.70736035      8.09029711    -11.39375414
  H     19.31860017      9.04879911    -13.28022709
  O     15.78791943      8.32538426    -14.80367126
  H     16.01547810      9.59650775    -13.64181882
  H     19.35727095      9.51630753    -14.76397119
  O     12.15144177     11.16394042    -12.46881115
  H     16.92461170      9.95448795    -12.46269817
  H     18.14754860      6.09696125    -13.38071259
  O     17.11654767      5.83556565     -9.89558956
  H     14.76541945      8.01271707    -17.74279784
  H     16.64141170      6.03946262    -12.98537044
  O     11.57677816      8.47367506    -13.29990716
  H     16.08262180      7.22878279    -17.63403988
  H     17.01611418      8.61229266     -8.86477005
  O     19.77880901      8.93244097    -14.12263978
  H     14.23095620      5.27761518     -8.68438138
  H     18.42948811      8.72510114     -8.24392213
  O     17.53359796      6.20335075    -12.64544836
  H     15.41536109      5.85403990     -9.49588771
  H     14.90976464      9.99074169    -11.65911305
  O     17.96316884      8.45343592     -9.02958706
  H     18.09301558      8.49359718    -16.71406726
  H     13.43310602     10.34032834    -11.35046177
  O     14.18450676      9.82127043    -11.04107734
  H     18.28634112      7.05040430    -16.16871895
  H     13.13092478      9.11874895    -16.39905528
  O     13.99276767      9.55096400    -16.45761325
  H     14.15159366      6.15956103    -16.65817193
  H     14.58729117      9.05414803    -15.87061741
          69
 Energy    -248.16119182191713     
  O     12.52151369     12.58524995    -12.99202038
  H     12.32084790     13.46603504    -12.68495208
  H     19.76287367     11.93808529    -15.72088924
  O     15.43608681     10.04078191    -11.18260132
  H     13.38255836     12.63581473    -13.43941825
  H     13.33559871      9.91420980    -16.61466761
  O     11.04358421     11.05558052    -14.94417561
  H     15.61453341      9.09681428    -11.07083180
  H     12.21266688     10.92061875    -16.32392090
  O     14.00135902      8.46187483    -15.37724342
  H     16.22770370     10.54633936    -10.94925458
  H     16.65267311      9.67399547    -14.08228952
  O     14.58848785      6.29408279    -13.63247617
  H     11.08546088     10.17115094    -14.55755135
  H     15.61866294      9.98927996    -12.96544818
  O     18.36894509      7.33953950    -12.06335245
  H     11.44379118     11.64394173    -14.29245275
  H     14.04090632     12.06464483    -17.10587864
  O     14.94738940     12.58643718    -14.32005955
  H     13.15695509      8.50698674    -14.90600650
  H     14.40533734     13.41803599    -17.76438531
  O     18.23769295      7.01957182    -16.15699607
  H     14.61846165      9.03466063    -14.89126095
  H     12.74354420      8.42181306    -10.66549992
  O     15.69110473      7.29639567    -11.23072287
  H     14.44037422      6.97309353    -14.30318900
  H     13.88260348      7.39399967    -10.48619416
  O     17.05657769     11.21767851    -17.08966344
  H     13.71504998      6.02490539    -13.32156669
  H     18.73944948      9.90560983    -14.54850421
  O     17.27713626      5.57865643    -14.08145602
  H     19.17914574      7.39893362    -11.56325782
  H     18.41529781      8.43415977    -14.96516172
  O     19.00278004     11.55205521    -15.29482883
  H     18.41881943      8.02140200    -12.75408062
  H     18.09689196     12.50351185    -13.91514386
  O     12.96329816     10.74908735    -16.91232362
  H     15.23923911     11.66428241    -14.25682156
  H     16.67160406     12.97018307    -13.56077537
  O     15.74409321      9.95616273    -13.92378564
  H     14.86582761     12.78464377    -15.26199751
  H     18.05322872     12.13387232    -10.16089721
  O     14.68789997     12.79497649    -17.10122102
  H     18.85237367      6.51914306    -16.68687076
  H     17.67432762     12.06789044    -11.65006827
  O     12.92247256      7.49415149    -10.46449470
  H     17.88707206      6.41286400    -15.48076352
  H     12.53832022     11.00716340    -11.95639429
  O     18.40114087      9.05919840    -14.22724235
  H     16.64682894      7.25124286    -11.36146680
  H     13.68807524     10.16525335    -11.37740673
  O     17.56727927     12.89425478    -13.20943616
  H     15.29846199      6.97715370    -12.05612558
  H     16.83030249      7.98530387    -16.96615839
  O     17.67050197     11.56076289    -10.81992143
  H     16.73572328     10.31398825    -17.22378520
  H     15.36069995      8.39561496    -16.74177019
  O     12.74138419     10.13944668    -11.58651327
  H     16.29287191     11.79779284    -17.18062417
  H     11.66918065      7.69194053    -13.39882596
  O     16.14784062      8.60174126    -17.25878980
  H     17.69716992      5.99394374    -13.31878807
  H     12.12546084      9.10684041    -12.96384235
  O     11.78610848      8.59504806    -13.71393614
  H     16.32403587      5.67011313    -13.94710768
  H     11.38785759      5.31723864    -12.28474671
  O     11.99455322      6.00788627    -12.53638275
  H     18.31024287     11.46354115    -15.97761931
  H     12.25628527      6.46924770    -11.71873889
          69
 Energy    -248.16116112201681     
  O     13.82123602      9.86679822    -12.82035094
  H     13.66961051      9.47892717    -13.69223032
  H     13.59118439      4.87368476    -13.29431789
  O     13.74695356      3.41024098    -10.81697369
  H     13.23901665      9.39089910    -12.21237776
  H     13.44545441      7.02144260    -12.26679024
  O     15.93370256      1.65336226    -11.02267942
  H     13.60951687      3.50838854    -11.77176202
  H     14.91196823      6.62670803    -12.60341716
  O     16.13411356      7.46942979    -15.93327269
  H     12.93472897      3.70916361    -10.39398622
  H     15.47579664      9.78658170    -12.32262757
  O     13.54835817      8.14717523    -15.05925827
  H     16.61588236      2.17975994    -10.58841706
  H     16.58356022     10.36557378    -11.41409239
  O     17.70090804      9.31509179    -14.56680051
  H     15.10602335      2.13340033    -10.88680333
  H     12.90844026      5.86246550    -16.71259063
  O     11.43409519      4.66256987     -9.74528624
  H     16.73904167      8.14713299    -15.60033651
  H     11.63442635      6.34276041    -17.44175771
  O     17.93376431      3.51846128    -10.11465941
  H     15.24851424      7.78111711    -15.69931506
  H     11.74835907      4.57320284    -13.96808663
  O     16.83534669      1.30758419    -13.56645936
  H     13.70021759      7.53412092    -14.32203753
  H     11.24843773      5.59572051    -14.99807257
  O     18.53329041      3.48364511    -12.76856365
  H     12.92412130      7.69891003    -15.64113906
  H     16.20055518      4.12732014    -14.72167571
  O     17.24151727      5.53716503    -14.21744331
  H     18.64414142      9.34600250    -14.42005463
  H     16.01796225      2.59266713    -14.65283743
  O     13.40159004      3.93824683    -13.48019815
  H     17.29321703      9.48620075    -13.70636607
  H     14.88440721      4.50973199    -16.37583077
  O     13.99403063      6.51559599    -12.88043650
  H     10.99713727      5.15978408    -10.45419628
  H     15.18657430      5.98093044    -16.72873901
  O     16.40228375      9.67206272    -12.04284018
  H     10.74119468      4.28533972     -9.20779229
  H     10.52152682      5.85553544    -12.65342183
  O     12.04418983      6.29375826    -16.58211979
  H     18.72326683      3.34752486     -9.60829174
  H      9.36221216      6.48607877    -11.84945205
  O     11.02068483      5.18285093    -14.15686996
  H     18.20520864      3.56470028    -11.04910812
  H     16.31487578      6.41270298    -11.10113096
  O     15.63776310      3.39808581    -15.02363429
  H     17.02163056      0.38695653    -13.72942116
  H     16.56041616      7.82289229    -11.78314874
  O     14.54981683      5.26859571    -16.86969316
  H     16.45680936      1.36340315    -12.67082699
  H     11.57701973      7.55872803    -11.38930737
  O     10.27308886      6.21148966    -11.78070227
  H     18.09449815      2.69786475    -13.11764775
  H     12.75218754      7.70116205    -10.37719455
  O     16.56852108      6.86736298    -11.91648044
  H     18.25262216      4.21442936    -13.33432186
  H     12.75459171      5.96174859     -9.11737072
  O     12.38498615      8.05155207    -11.20408953
  H     16.95055164      6.16349506    -14.89259005
  H     14.26492999      6.25554161     -9.19336323
  O     13.40407969      6.67366310     -9.06368122
  H     17.09722282      5.98782280    -13.37218572
  H     16.51104367      4.67661815     -9.81975656
  O     15.70410185      5.20394285     -9.88391200
  H     14.10728512      3.63461724    -14.06436533
  H     15.02857981      4.61013670    -10.24377865
          69
 Energy    -248.16109454346889     
  O     10.92590416     -6.28043827     -7.21644018
  H     11.34529120     -5.49413066     -7.58970412
  H     11.69227901     -6.81517459     -5.75977067
  O      6.40238268     -4.38199126      0.10761350
  H      9.97627933     -6.14020794     -7.30303975
  H      9.72967691     -2.98619699     -0.36449894
  O     10.24465455     -4.01958750     -4.32495659
  H      6.61628757     -5.32258053      0.12930402
  H      8.70097888     -2.83233293     -1.51814237
  O     11.51228387     -2.55866360     -0.01636656
  H      7.23438535     -3.92131346     -0.06643846
  H      6.52594532     -7.11308064     -1.16503018
  O      5.58850792     -6.80906840     -2.60312483
  H      9.87173170     -4.89677604     -4.16814471
  H      6.72887295     -7.93983261      0.12724072
  O      9.60105132     -3.09194602     -6.85468534
  H     11.16477628     -4.07367495     -4.04631736
  H     12.53589371     -1.46320959     -3.15009138
  O      9.53250672     -6.65067193     -3.74149694
  H     11.91216662     -2.03862159      0.67551196
  H     12.96493648     -2.89403363     -2.77512197
  O      7.10310441     -6.10763744     -4.90026759
  H     11.91807181     -2.27175121     -0.85412164
  H     13.01770496     -2.16349263     -5.51003370
  O      9.45980775     -6.01684798     -1.07670310
  H      6.01452533     -6.67259430     -3.45882630
  H     13.35558655     -3.61163815     -5.07966170
  O      6.27455527     -3.52376676     -3.99541312
  H      5.09730869     -5.99803312     -2.41739894
  H      8.54578958     -4.49856056     -7.26620742
  O     12.29133010     -0.59787436     -4.78391662
  H      9.83798118     -3.39905742     -5.96417211
  H      7.66310941     -5.30447847     -8.24413731
  O     12.09176142     -7.06145695     -4.90553303
  H     10.39329218     -3.20954568     -7.39417189
  H     12.02200711     -4.36516951     -0.51071564
  O      8.88360504     -3.31041988     -0.69633596
  H      9.55191587     -6.50783346     -2.78329265
  H     11.28542213     -5.64014437     -0.94573814
  O      7.03580271     -7.16564009     -0.33616287
  H     10.40264365     -6.95075280     -4.02727979
  H     12.71019031     -4.92644694     -2.62742435
  O     12.69755409     -2.04824749     -2.39974675
  H      7.92584774     -6.39652265     -4.47726371
  H     12.73889623     -5.53478372     -4.05068890
  O     13.31398540     -3.02211122     -5.84089412
  H      7.33397089     -5.92978579     -5.81905269
  H      9.48591878     -1.36049450     -5.98147722
  O      8.16662800     -5.37703817     -7.43652455
  H      8.69852701     -6.50961076     -0.74489495
  H      9.13893470     -1.00791696     -4.52387103
  O     12.14250071     -5.19511538     -0.98777923
  H      9.24372204     -5.07675938     -0.98497917
  H      7.65356788     -2.55676236     -3.48253869
  O     12.89738509     -4.71817271     -3.55821188
  H      6.53744298     -4.38974057     -4.33163722
  H      9.18367425     -2.78552806     -3.54024959
  O      9.63509075     -0.69905226     -5.29455434
  H      5.61295551     -3.69339900     -3.31353526
  H      3.71638017     -3.90871127     -1.55245379
  O      8.50418471     -2.18665505     -3.19567817
  H     11.33488982     -0.59409915     -4.96452068
  H      5.16924212     -4.22710599     -1.12667435
  O      4.54188840     -4.26278179     -1.87083431
  H     12.60439247      0.28818620     -4.94584678
  H     12.54819013     -3.57753983     -8.85269299
  O     12.03771004     -3.81085815     -8.08243236
  H     12.56376091     -7.87822968     -5.04509582
  H     12.55633103     -3.53366930     -7.30529162
          69
 Energy    -248.16108923439876     
  O     13.53511154      3.34649910    -13.15077204
  H     14.11488276      4.09070833    -13.38867086
  H     18.81374326      8.21637585    -15.65996560
  O     15.85421554      8.26870471    -10.33481999
  H     13.81671345      2.60095093    -13.67463439
  H     16.53220448      9.99128730    -12.86153628
  O     16.72207497     11.84285816    -12.91174971
  H     16.47616847      8.79637249     -9.82053552
  H     17.09758072      8.53173299    -12.99501499
  O     19.12315207      6.38206879    -15.21733712
  H     15.93000452      8.58880991    -11.24817433
  H     12.00793342      4.28596511    -12.80901032
  O     14.60473714      4.04085973    -10.48479786
  H     15.91335893     11.92714505    -13.44001813
  H     10.47736199      4.49862776    -12.77197285
  O     13.15087952      8.47696105    -10.80627397
  H     17.49577211     11.78856419    -13.48409501
  H     16.40390733     11.28040185     -9.84649447
  O     15.88667745      8.49800752    -16.91853115
  H     19.73172852      5.75739564    -15.60104885
  H     16.16836634     11.96193940    -11.20094232
  O     13.23425168     11.27686985    -11.16145554
  H     18.22804409      6.12150467    -15.50255049
  H     12.59176786      6.73780428    -10.17899663
  O     18.47688624      7.30153922    -12.65548158
  H     13.89744214      4.64022400    -10.20094970
  H     11.92798313      5.51783205    -10.83630081
  O     16.55706460      5.77825987    -11.30444455
  H     14.25165838      3.57912970    -11.25093578
  H     19.83068739     11.63940715    -14.56926515
  O     19.29403260      9.75377569    -11.59664994
  H     14.06330131      8.35207281    -10.50579080
  H     18.89600428     10.42687075    -14.77764629
  O     18.46503886      9.10190663    -15.81668742
  H     13.04080490      9.43010874    -10.91195515
  H     18.36377596     10.09185187     -8.58037679
  O     16.28984684      9.05880662    -12.94254363
  H     15.51096564      8.81094501    -17.73727505
  H     18.36112559      9.98757268    -10.12270591
  O     11.31162518      4.93484102    -12.61764496
  H     15.24819208      8.71216066    -16.21649816
  H     14.06615962     10.83920720    -14.33649504
  O     15.76329661     11.80943506    -10.33351195
  H     12.64425682     11.92570199    -10.78531985
  H     13.74672547     11.58417808    -13.03036974
  O     12.45544251      5.78796362    -10.07589870
  H     14.11779672     11.46304260    -10.79454163
  H     14.28624416      6.25554665    -13.52674524
  O     19.11759481     11.15128700    -14.16621608
  H     18.77186166      6.91064275    -13.48695908
  H     15.57316757      5.70364367    -12.84134495
  O     17.78711744     10.03853175     -9.33754518
  H     17.95449707      6.64039186    -12.18112109
  H     12.87374329      7.71303476    -12.41814156
  O     14.15651036     11.69456958    -13.89776666
  H     15.99664768      5.08128920    -10.93183463
  H     12.13358820      6.55532168    -13.14312803
  O     15.00745950      5.61939950    -13.62177420
  H     16.32260867      6.59311572    -10.83670083
  H     13.58892952      8.44303688    -14.41685664
  O     12.76101308      7.27493321    -13.27555422
  H     19.15627949      8.84651798    -11.90466984
  H     15.00353458      9.00111954    -14.13751757
  O     14.28202570      9.00248109    -14.78910357
  H     19.31303409     10.29987645    -12.38987683
  H     16.27262625      6.72085087    -16.36100321
  O     16.56925806      5.91012752    -15.92920448
  H     17.60301165      8.97642161    -16.23108458
  H     15.99440026      5.78028375    -15.16247203
          69
 Energy    -248.16103428491829     
  O      1.69177752     -8.27535503     -4.72351763
  H      1.52138385     -8.41097296     -3.78080816
  H      1.29945666     -8.52417006     -1.02317393
  O      1.04711498     -5.58955371     -4.77149590
  H      2.65054980     -8.29033747     -4.81777971
  H      4.01281867     -7.70414734      2.79674028
  O      1.39458318     -7.40622847      4.79912676
  H      0.96066994     -5.47332333     -3.81424269
  H      4.25894914     -6.73094313      3.96862703
  O      1.22190319     -5.41208586     -1.98989305
  H      1.12075583     -6.54397099     -4.91569716
  H      0.81157591     -3.76268084     -5.11765283
  O      1.01457982     -4.41757248      1.87473660
  H      1.29533396     -7.97147850      5.56026737
  H      1.83332419     -2.62559802     -5.31360392
  O      3.99672516     -5.15409123     -2.32273761
  H      2.28870598     -7.56148478      4.44605619
  H      1.11533944     -9.77454538      1.14779954
  O      3.78063327     -5.15921014     -5.10249065
  H      2.18055452     -5.30421174     -2.07054016
  H      0.82179418     -8.25890327      1.28648668
  O      4.25248309     -7.89938902     -1.93360355
  H      0.91488876     -4.66249559     -1.46735025
  H      0.45138663     -7.20034452      3.19276605
  O      0.41762831     -1.40591515     -2.81625924
  H      0.74948000     -3.86777814      1.12815422
  H      0.32876854     -6.12783757      2.08791592
  O      4.58866670     -7.79911919     -4.76769745
  H      1.95681123     -4.60122665      1.74471550
  H      0.57843901     -2.43833916     -1.26781997
  O      3.77384798     -2.37568505     -5.27347490
  H      4.01573959     -5.08654704     -3.28567213
  H      1.83806879     -2.96269432     -0.53867198
  O      1.47391622     -8.16840961     -1.90304555
  H      4.20883539     -6.06923515     -2.09784446
  H      3.89298965     -3.73359682     -1.26161962
  O      3.90907881     -7.60482002      3.75082374
  H      2.82331539     -5.31036753     -5.07229275
  H      3.81613691     -3.52019188      0.24816294
  O      0.90962943     -2.80143224     -5.09906077
  H      3.90547444     -4.21581490     -5.26794612
  H      4.20337832     -7.75541514     -0.00129348
  O      1.31962052     -8.92184207      0.77386056
  H      3.29750508     -8.07055057     -1.92685004
  H      2.96880320     -8.05275235      0.87123953
  O      0.14887926     -7.05635796      2.28686134
  H      4.53130077     -8.00928637     -2.85090957
  H      2.33987059     -1.23193216     -2.74982488
  O      0.87162153     -3.03154827     -0.56526371
  H      0.50340217     -1.91954199     -3.63898053
  H      3.55279676     -1.79364372     -1.98181697
  O      3.69059221     -3.06091106     -0.59243331
  H     -0.20271050     -0.70413471     -2.99530831
  H      1.37212102     -4.37039844      3.75266121
  O      3.82318827     -7.59900463      0.87122574
  H      4.40360431     -6.86851483     -4.97552005
  H      1.52670384     -5.49238876      4.79820270
  O      3.29569766     -1.35556413     -2.80319028
  H      5.19925437     -8.10953234     -5.43222475
  H      4.12058133     -4.79586052      2.41398631
  O      1.77769654     -4.57994411      4.60470371
  H      4.21717542     -1.71848469     -5.80340105
  H      3.81037365     -5.78765834      1.25384663
  O      3.76142016     -4.85953241      1.52012479
  H      3.68355262     -1.99890778     -4.37965653
  H      3.52048357     -4.66453720      4.45045252
  O      4.45441911     -4.84002127      4.23324590
  H      1.24589364     -7.22718156     -1.87291305
  H      4.98246268     -4.29952637      4.81370704
          69
 Energy    -248.16097074328076     
  O     17.10528760     10.00169039    -14.83513963
  H     16.52560428     10.73723458    -15.06682256
  H     16.81619934      6.95000661    -10.18154038
  O     15.42142825      6.45737274    -11.34721790
  H     17.29155623     10.13585483    -13.89374484
  H     12.97849389      8.69877911     -8.74857953
  O     11.47369031      8.42518870    -12.97038672
  H     14.46140301      6.36961255    -11.26958118
  H     11.90502904      7.92947460     -7.94386181
  O     13.39733770     12.06856659    -10.39070127
  H     15.67165116      6.20527151    -12.24689935
  H     14.89416441     12.37837538    -11.58844026
  O     19.34482020      8.38158939    -11.61856965
  H     12.17145362      8.98480353    -13.34524513
  H     16.32698420     11.97362661    -12.03667733
  O     13.21871288      6.24085918    -16.31257851
  H     11.16007280      7.84832062    -13.67695041
  H     14.73822077      9.41230795    -10.61036437
  O     16.07211637      5.98006166    -14.00185373
  H     12.96980071     12.87468523    -10.11057084
  H     15.21022129      8.22632224    -11.48736470
  O     13.61739705      9.91041298    -13.74654839
  H     12.68432163     11.43915947    -10.60032442
  H     11.59044332      5.22785166    -13.75149733
  O     16.81180734      9.45865158     -8.03507975
  H     19.07731414      8.01937723    -12.48212872
  H     12.29834585      5.19477764    -12.38493166
  O     14.24435349      4.01594772    -14.80031146
  H     20.29756034      8.35583814    -11.59497512
  H     17.72774368      6.89118196    -14.04473653
  O     14.27822485      9.87142086     -8.86655365
  H     13.61045926      5.43210789    -15.96007399
  H     18.10397727      8.32170599    -14.50208990
  O     17.50693517      7.40443208     -9.68243553
  H     13.86885085      6.93945493    -16.16116848
  H     11.53230567      9.51144343    -10.04154634
  O     12.19843605      8.12225364     -8.83051768
  H     15.67384282      6.73301681    -14.46361346
  H     11.30297704      9.64943014    -11.54982032
  O     15.59580071     12.57964028    -12.21907261
  H     15.57658753      5.20036256    -14.28111362
  H     12.26722886      7.23481245    -11.80786259
  O     15.03350869      9.17685883    -11.49747694
  H     14.11741370      9.72697900    -12.93516907
  H     12.45887065      6.97160985    -10.30217878
  O     12.15947144      4.68388774    -13.19273561
  H     14.00132828     10.69625084    -14.15232920
  H     11.67947062      6.47669917    -15.51913245
  O     18.43755308      7.54680275    -14.03477712
  H     17.08283295      8.70344990     -8.58602454
  H     10.13382438      6.41902113    -15.55978066
  O     11.45058614     10.16470452    -10.74634162
  H     17.47838446      9.54801248     -7.36030538
  H     14.41002042      8.67833835    -14.82726213
  O     12.63251035      6.59918500    -11.17493828
  H     14.25884542      3.07698276    -14.96358675
  H     15.83790816      8.71572832    -15.35811911
  O     10.87534772      6.54321217    -14.97353356
  H     13.51539086      4.18268347    -14.17568200
  H     14.89996004     12.84722348    -15.33246352
  O     15.04061986      8.17144747    -15.35736156
  H     15.17831888      9.81861829     -8.50914130
  H     15.28464852     12.35812248    -13.91411367
  O     15.09628325     12.06494699    -14.82470944
  H     14.10549586     10.76328113     -9.19107677
  H     18.16188846      9.86864514    -11.79619462
  O     17.42170378     10.42176254    -12.06971177
  H     18.18212737      7.66203834    -10.32243708
  H     16.61634695      9.94450158    -11.81569351
          69
 Energy    -248.16094860364257     
  O      3.35705775     -2.07049542     -2.67880152
  H      3.94975097     -2.24210093     -1.92367784
  H      2.82718937     -2.06895578      3.72755419
  O     -1.36177734     -0.56268426      2.21827792
  H      3.90942581     -1.76968657     -3.39533797
  H      0.79028940     -5.97180635     -2.87037226
  O     -0.98087864     -3.88509242     -1.29769226
  H     -1.34706139     -0.77623382      1.26711880
  H     -0.62832834     -6.56991378     -2.85507158
  O      3.18977503     -5.87798247      3.19266955
  H     -2.18979142     -0.12259919      2.38926380
  H      3.63681571     -5.08642309      0.13340606
  O      4.69940843     -0.22610207      1.11526829
  H     -1.56419432     -4.49224904     -1.76963145
  H      2.23813052     -5.75009965      0.27895902
  O     -2.13428563     -7.32179082     -0.09159661
  H     -0.11981944     -3.92873188     -1.73592035
  H     -0.93855400     -4.66302054      0.36329548
  O      1.24825283     -6.74869831      1.42561942
  H      3.34298616     -6.51702028      3.88595283
  H     -0.85203433     -4.44835643      1.89614854
  O     -1.16362775     -1.21200301     -0.40199113
  H      2.48370570     -6.24304517      2.63411270
  H     -0.69548296     -2.21642039      2.79327618
  O      2.53884479      1.49692857      0.29812289
  H      4.28873074     -0.59156708      1.91154169
  H      0.48992668     -2.94163302      2.13070250
  O      1.50002870     -0.70329877     -1.07051777
  H      4.09095096      0.45266599      0.80143330
  H      2.40315379     -4.32286486      4.11600909
  O      1.75878964     -2.71359172      0.88263990
  H     -1.87953641     -6.60615118      0.50796082
  H      1.16446158     -3.41007726      4.10630490
  O      3.04228049     -1.45605098      3.01329509
  H     -1.34068747     -7.85832377     -0.20513813
  H      0.48612270     -7.88771966     -1.43204800
  O      0.30675347     -6.80431693     -2.79827419
  H      1.05824758     -7.46207319      0.80227463
  H      0.67545339     -9.33972196     -0.93561052
  O      2.75663837     -5.13666983     -0.25798582
  H      0.46463359     -6.17761144      1.43712380
  H     -3.26709959     -6.14842026     -2.88621815
  O     -0.96070539     -5.12436690      1.21428942
  H     -1.24311654     -2.12306895     -0.71165543
  H     -2.44086094     -6.52109956     -1.63008911
  O     -0.18728115     -3.03598657      2.82078421
  H     -0.30601433     -0.90873971     -0.73018515
  H      4.44550642     -5.06254368      2.06539693
  O      2.02083614     -3.54511998      4.53618574
  H      2.03845444      1.27447316      1.10564859
  H      5.89152028     -5.05770836      1.53238432
  O      0.47835000     -8.45495928     -0.63994059
  H      2.53279534      2.44682488      0.22283792
  H      1.81221069     -0.04403879      2.83714247
  O     -2.42360789     -6.01611530     -2.46289106
  H      2.12275506     -1.06282091     -1.71395975
  H      0.33930165      0.26805074      2.46009353
  O      5.00671584     -4.75770731      1.33564898
  H      1.88982121      0.09651009     -0.69227613
  H      2.07603802     -3.50405630     -2.77247012
  O      1.22735314      0.64218820      2.48746167
  H      1.63624034     -2.02966086      0.21134733
  H      2.00565512     -4.64406153     -1.75136548
  O      1.53708422     -4.25756395     -2.50912178
  H      2.13609306     -3.48570604      0.44904839
  H      4.91857299     -1.62246870      0.02869998
  O      4.93088580     -2.43379386     -0.50385261
  H      2.70222679     -1.88240379      2.21193370
  H      5.02494423     -3.15472486      0.12368273
          69
 Energy    -248.16089072500569     
  O     17.40780786      7.22706581    -13.85163528
  H     17.76004488      7.32767148    -14.74420437
  H     11.64117223     11.61303423    -15.20345310
  O     18.49927872      8.03705486    -16.27460347
  H     16.75516689      6.51315146    -13.83201667
  H     14.75220212      6.46553041     -9.82571758
  O     11.57505121      9.15309815    -12.69411783
  H     19.14299169      7.67075322    -16.87490718
  H     14.80527192      6.22089749     -8.30147833
  O     15.39641401      5.40098536    -13.45117815
  H     18.94700658      8.74670671    -15.77605714
  H     14.60389072      9.42948830    -12.34074818
  O     18.44972901      7.91783497    -11.42598306
  H     12.35205862      9.32734616    -12.14760883
  H     14.82980524      9.45007907    -10.81737195
  O     19.96155644     10.23296373    -12.03626618
  H     11.65620246      9.73849763    -13.45681345
  H     18.11016531      6.27890759    -10.57033314
  O     16.37952251      9.06091742     -9.92795548
  H     14.91554654      5.80608778    -12.71744892
  H     16.94174908      5.77476966     -9.70563300
  O     11.51427447      6.46682739    -12.92798339
  H     15.90468095      4.66838744    -13.07138942
  H     16.92500883     12.19657431    -14.17878207
  O     16.52340621     10.00605165    -17.01475619
  H     19.09285116      8.61696141    -11.58829544
  H     16.23648660     11.00222031    -13.49528200
  O     13.42830374      6.61741048    -15.09066119
  H     18.13316167      7.62895653    -12.29576361
  H     17.28640631      4.23261654    -11.41014663
  O     14.05834902      9.14374948    -15.96043568
  H     19.22605598     10.72185003    -11.62517961
  H     17.52331676      2.85188244    -12.04728145
  O     12.21663266     10.96918479    -14.79841827
  H     20.76395515     10.55250400    -11.63175509
  H     16.30846106      8.63185322    -13.74275229
  O     15.31046113      6.56008744     -9.03635734
  H     16.05551396      8.31982669     -9.40287175
  H     15.12276678      9.27582163    -14.52449193
  O     14.13535284      9.47203171    -11.48947424
  H     17.09398279      8.69282122    -10.47072991
  H     19.03102647     10.87853188    -15.11491381
  O     17.70649775      5.47739501    -10.21194235
  H     11.42223845      7.43515629    -12.86268148
  H     19.69518918     10.15655959    -13.91212456
  O     16.46783233     11.93688048    -13.37061470
  H     10.63494727      6.10037730    -12.90098495
  H     17.27358094     11.41486751    -16.30369508
  O     16.97282700      3.62760584    -12.10397713
  H     17.10753367      9.25185572    -16.87001000
  H     17.96470323     12.78526825    -16.49939983
  O     15.65292524      9.33932724    -13.71896428
  H     15.63083147      9.70802277    -16.79522054
  H     13.95285834      7.59647988    -11.44931329
  O     19.53283647     10.09431148    -14.86079626
  H     12.69331254      6.51983513    -14.47468847
  H     13.01350782      6.42822293    -11.82265693
  O     17.76175610     12.12291956    -15.84466830
  H     14.14992669      6.10509501    -14.70330150
  H     17.22276220     10.78369029    -10.46836477
  O     13.85369169      6.63672705    -11.39298584
  H     13.35748384      9.74387867    -15.67785828
  H     17.27677485     11.69973626    -11.72402620
  O     17.77669211     11.40997401    -10.94729532
  H     13.78371169      8.23690247    -15.75032325
  H     13.76120694     11.40323041    -12.12455264
  O     13.73927287     12.06902006    -12.81968476
  H     12.75269504     11.44744342    -14.14102712
  H     14.66788416     12.23522508    -13.03589801
          69
 Energy    -248.16074321058886     
  O     12.40908048     11.30168588    -14.91496828
  H     12.07204445     11.01470588    -14.05718294
  H     19.28909810      5.75442178    -15.82425357
  O     15.28814195      6.23074904    -13.33336611
  H     13.14362225     11.90232816    -14.74441262
  H     17.30846561     12.69560327    -16.87417259
  O     18.01125225      9.72627785    -12.32764925
  H     14.73053356      6.40630038    -12.56399937
  H     17.33645156     11.55394784    -15.83448553
  O     18.33952635     10.33978906    -15.08897411
  H     16.20631660      6.39984865    -13.07608616
  H     15.03619407      7.91030388    -14.03413571
  O     12.29033960      6.70779043    -15.87678219
  H     17.16733184     10.19203634    -12.42610191
  H     14.45642184      8.92386726    -15.09230692
  O     15.47608653      9.21165521     -8.85881938
  H     18.18215350      9.68906912    -11.37824058
  H     11.43080118      9.25814957    -12.79199170
  O     13.68496360      7.05074282    -11.24903375
  H     18.13295978      9.50545488    -15.52293028
  H     10.47791848     10.33732800    -12.22509691
  O     15.53786693     10.87633087    -12.76045104
  H     18.38820708     10.15110171    -14.14304082
  H     18.00308156      7.52046434     -9.73361854
  O     15.21228053      6.34652013     -9.00883850
  H     11.70833173      6.12497139    -16.35789517
  H     17.85093743      6.56674152    -10.92683542
  O     16.98462198      8.03794456    -16.33356358
  H     13.19092486      6.35538895    -15.98669604
  H     12.29783488      7.20704867    -12.57020459
  O     14.88304190      5.87664014    -16.03684173
  H     14.80710545      9.53645043     -9.47589013
  H     11.90219599      7.23284209    -14.07654376
  O     18.92562028      6.40664878    -15.23068658
  H     15.30981166      8.26572666     -8.76472728
  H     17.94278888      7.90761543    -12.65036420
  O     16.74823015     12.16822334    -16.30944104
  H     13.72000470      8.01432698    -11.16276752
  H     18.36608751      6.69580972    -13.54031456
  O     15.12958288      8.79489616    -14.41037783
  H     14.10326940      6.69617267    -10.45430677
  H     18.57957019      9.88400461     -8.82361493
  O     11.37957062     10.18617599    -12.49687028
  H     15.30665858     11.68015078    -13.23769385
  H     17.16551560      9.43938791     -9.26555081
  O     17.73122503      6.62500772     -9.96912550
  H     15.38319750     10.13667259    -13.37416198
  H     14.80077881      9.70414040    -17.51285532
  O     11.69087181      7.59955109    -13.21043172
  H     15.18370389      5.67819072     -8.32986062
  H     15.95449924     10.72152230    -17.42959303
  O     17.88612121      6.94615839    -12.73883628
  H     16.12411020      6.35982776     -9.35255615
  H     12.86691877     10.05555361    -11.36192671
  O     18.10550275      9.44014038     -9.52171786
  H     16.43568609      8.28078827    -15.57242934
  H     14.38793866     10.26045146    -11.53323224
  O     15.68628413      9.89932719    -17.85382576
  H     16.66054327      8.59497233    -17.05632847
  H     15.43615195     12.69218504    -15.19838309
  O     13.72104753      9.85130076    -10.96246834
  H     15.05492573      5.80656530    -15.08440315
  H     14.75530386     13.87600337    -14.47435460
  O     14.77123972     12.92346190    -14.52898960
  H     15.57220462      6.45130473    -16.38107394
  H     12.79738970      8.46429890    -16.37609913
  O     13.31805800      9.26912325    -16.47832391
  H     18.28359465      6.91666505    -15.74932204
  H     12.87602219      9.98934218    -16.00107518
          69
 Energy    -248.16066839308820     
  O     14.33601964      4.69291274     -9.79607780
  H     14.51068997      5.46364118     -9.24268725
  H     17.82148451      9.12576873    -12.28922225
  O     16.25615871     11.86520414    -11.57240516
  H     15.12554160      4.56297701    -10.33631984
  H     15.38171196      8.52730803    -12.28801458
  O     10.78993028      7.10524669    -13.96447137
  H     15.96370785     11.90967947    -12.50292550
  H     14.06938423      8.21859503    -11.50769993
  O     19.17289121      4.50019543    -12.62084527
  H     16.66733922     12.70063127    -11.36996178
  H     12.74033321      4.55493233    -10.43660646
  O     12.30329450      4.90122364    -13.57514203
  H     11.31817177      6.28870153    -13.89926075
  H     11.38438259      3.81881776    -10.35005855
  O     17.19429340      7.15179014     -9.96819303
  H      9.97657449      6.87102358    -14.40276141
  H     20.29152732      9.21092887    -13.02565770
  O     13.54515263     11.18442451    -10.80448123
  H     19.03010281      5.13555971    -13.34639664
  H     19.71571824      8.04084806    -12.18722801
  O     18.76339989      6.42449332    -14.48210964
  H     19.72567984      3.80507805    -12.96653286
  H     14.75491889      6.52552927    -13.06844070
  O     15.28280556     11.85510745    -14.06779631
  H     13.25445301      5.06526257    -13.62334944
  H     15.58342934      5.24800496    -12.82625134
  O     12.49588345     11.67404520    -13.42416651
  H     12.12565303      4.65424497    -12.65801942
  H     14.30854104      9.31787355    -15.28885227
  O     12.74061768      9.07320589    -14.22145180
  H     17.08416298      7.91676536    -10.55165611
  H     15.65054990      8.63719169    -15.59952947
  O     16.98255128      9.20979828    -11.81922284
  H     16.47478527      7.17978891     -9.32634387
  H     15.75871184      6.32954615    -14.92795598
  O     14.51288983      8.10915546    -12.35812119
  H     13.09810246     11.40701693    -11.63058298
  H     15.93922133      6.33060163    -16.46242737
  O     11.83988892      4.52111341    -10.80633363
  H     14.46550817     11.44163103    -10.93321139
  H     19.71042237      5.92523771    -11.42938778
  O     19.51248569      8.67638318    -12.89794779
  H     19.01163016      7.26487081    -14.07804181
  H     18.99747467      6.87156907    -10.44181077
  O     14.99973367      5.67465288    -13.46624770
  H     17.93485370      6.57994723    -14.95146786
  H     11.30452664      6.33381752    -10.91936768
  O     15.22244286      9.49821153    -15.54612544
  H     15.40097482     11.07730378    -14.63258072
  H     10.92435317      7.33717324    -12.01821943
  O     16.21569967      6.77279046    -15.66273073
  H     14.33078392     11.94840269    -13.94151920
  H     17.50132618      4.53395644    -11.79148649
  O     19.79746966      6.77341308    -10.97659143
  H     12.49560539     10.75546600    -13.74478878
  H     16.84371035      5.62997461    -10.92450587
  O     11.12602143      7.27024514    -11.07857916
  H     11.70512414     12.08506883    -13.76293492
  H     14.25471708      7.69497283     -8.89749306
  O     16.66098588      4.80908712    -11.40573747
  H     13.37651687      8.76068251    -13.55822941
  H     14.70995776      7.31219986     -7.46871260
  O     14.86751515      7.13175002     -8.39160366
  H     12.02034042      8.43180353    -14.23714308
  H     12.39120409      8.22435310    -10.27614832
  O     13.21470411      8.60818885     -9.93784958
  H     16.81324018     10.14939223    -11.66937841
  H     13.24822965      9.55132796    -10.15729418
          69
 Energy    -248.16059859473000     
  O     12.11728855     10.89203068    -16.35453051
  H     12.68803110     11.63886407    -16.14825506
  H     15.56979726      7.02485507    -16.92825175
  O     15.42584048      7.33494990    -13.00353296
  H     11.54257371     10.76010756    -15.58376306
  H     18.87603979      8.86232173    -14.00615802
  O     16.29010581     11.48646259    -11.56674273
  H     15.24548930      8.07587286    -13.60354934
  H     18.35742964      9.12904083    -12.56892374
  O     16.51645644     12.10889475    -16.06209346
  H     16.03997126      7.68962706    -12.34731857
  H     16.79674774     10.48557808    -16.66874370
  O     12.91235480      8.32394031    -16.30222226
  H     16.96258466     11.81613903    -12.17404150
  H     16.31546901      9.08699632    -17.25672611
  O     12.59860546     10.57864914     -8.93372489
  H     15.45286522     11.54722099    -12.04961780
  H     14.17832472      9.08660255    -15.20890985
  O     12.83379532      7.55809613    -12.02186724
  H     17.01351119     12.19280566    -15.23811323
  H     15.67008664      9.53336537    -15.26994111
  O     14.02421104     11.48723798    -13.12192937
  H     15.63754327     12.47161006    -15.89996272
  H     10.99855622     10.30129098    -13.22234505
  O     16.34421540      6.32725558    -15.50270010
  H     13.59050429      8.05277132    -16.93163285
  H     10.67101262      9.16348828    -14.18921208
  O     13.43685016      7.84693521     -9.26947715
  H     12.62332664      9.23186071    -16.49882400
  H     16.32624195      7.75043902     -7.95295617
  O     18.76183104      7.83639588    -15.58455723
  H     12.19100916     11.03113441     -8.20054957
  H     15.13302401      8.03320351     -8.89711825
  O     15.19752064      7.50925947    -17.68841598
  H     13.54217103     10.82092387     -8.92635496
  H     11.86958043      7.57827054    -15.09086331
  O     18.85234331      9.51950512    -13.30123748
  H     12.24903054      7.35396899    -12.76228954
  H     10.71964568      6.61266039    -14.72274096
  O     16.96877213      9.53133575    -16.70510295
  H     13.73688586      7.38981708    -12.32682156
  H     18.87810302     12.65489497    -13.60020183
  O     14.91301385      9.43064788    -14.68278413
  H     13.29515711     11.13601468    -12.59352604
  H     18.42533030     11.17681350    -13.58046964
  O     10.65224836     10.12394797    -14.10608395
  H     14.35219202     10.75838762    -13.67306700
  H     16.75059954      9.70005122    -11.37239206
  O     16.05953904      8.26773944     -8.70775921
  H     15.99475271      6.46605225    -14.61327322
  H     16.83654134      8.52843477    -10.36515916
  O     11.28682227      7.29174611    -14.36626396
  H     17.24416975      6.67744375    -15.48030870
  H     15.65534397     10.15851106     -8.77778776
  O     18.10754795     12.09516806    -13.65832957
  H     13.16349147      7.61169084    -10.16560907
  H     15.68146159     11.31555742     -9.79978513
  O     17.05138938      8.78519606    -11.27026526
  H     13.02307583      8.69771951     -9.07793627
  H     12.13982091     10.43208871    -10.71785122
  O     15.27577033     11.02439141     -8.97252973
  H     19.52871384      7.72063714    -16.14008045
  H     12.34861591      9.30935541    -11.76859950
  O     12.07348169     10.23160144    -11.65913473
  H     18.18927655      8.49037255    -16.02585493
  H     13.87948185     12.57250380    -14.51639151
  O     13.88002987     12.99850111    -15.39084701
  H     15.29706255      6.94496784    -18.45053884
  H     13.54676843     13.88377922    -15.26569736
          69
 Energy    -248.16050539170820     
  O     -0.57022592      3.62451879      3.18278675
  H      0.25583222      3.26721477      2.80247916
  H      0.05809013      8.87350800     -0.24237536
  O     -2.87559437      5.97070760      0.00145254
  H     -0.73412455      3.14248026      3.98851599
  H      1.99397242      1.64160654     -0.82255787
  O      3.72973230      7.18195790     -0.07500972
  H     -2.62054506      6.69614783      0.58329124
  H      0.47945248      1.33405743     -0.67936292
  O      2.11065375      8.09569555      2.14122043
  H     -2.44385507      6.09084815     -0.85637781
  H      0.31218150      4.51302794     -1.40287226
  O     -1.79017351      6.11259343     -2.57992880
  H      3.78442774      6.23898842      0.13640673
  H     -0.37758682      3.27681316     -2.03295881
  O      3.48119950      2.61060378     -1.64163282
  H      3.23068954      7.57516135      0.64983843
  H     -0.46678742      7.35134735     -2.16086515
  O      0.72596144      5.57108810     -0.02227841
  H      2.54844935      8.36615070      2.94544473
  H      1.07209011      7.69020722     -2.18080609
  O     -2.07684972      7.95087319      1.82043670
  H      1.47475348      7.40645976      2.39225290
  H     -4.24103747      1.14175377     -2.99280779
  O     -1.24980975      1.89752145     -1.27326845
  H     -1.14166791      5.39177904     -2.57661153
  H     -4.18065219      2.01289970     -1.71504044
  O      0.04769259      6.27274799      2.61550296
  H     -2.60551734      5.72839776     -2.93251909
  H     -4.57999762      5.56783331     -0.38855253
  O     -2.23319924      3.37855286      0.89195750
  H      3.21643300      3.27724287     -2.29968357
  H     -6.08477727      5.91727709     -0.47853490
  O     -0.04246371      9.24727814      0.64569704
  H      4.21295766      2.12856449     -2.01776826
  H     -3.91522724      3.72792506     -3.11244409
  O      1.33434286      1.24439157     -0.24098133
  H      0.62374955      6.39609501     -0.51560283
  H     -4.68937140      4.87754781     -2.45447086
  O      0.05510994      4.11262064     -2.24776834
  H      0.42950757      5.74198513      0.87841038
  H      2.34187037      3.33173845      1.72880342
  O      0.24892346      7.79521863     -1.68560077
  H     -1.39529663      8.49751856      1.38682147
  H      1.51200506      2.10539995      1.32634286
  O     -3.75942321      1.85332055     -2.57879902
  H     -2.63140788      8.54340777      2.32037412
  H      2.71323085      5.49347274     -3.14409250
  O     -5.44511979      5.24255456     -0.69039557
  H     -1.54805150      2.36281233     -0.47717694
  H      1.64132469      4.38354103     -3.09727441
  O     -4.07155065      4.67854683     -3.16803061
  H     -2.03611604      1.75473317     -1.81341077
  H      2.38479956      4.84300646      0.25501810
  O      1.66419988      2.72886034      2.05322522
  H     -0.76115598      6.78402020      2.48234193
  H      3.44903742      3.82032598     -0.21491480
  O      2.57338671      4.55306580     -3.30082146
  H     -0.19716072      5.39326362      2.93303406
  H     -5.15478117      3.40726552     -0.25769572
  O      3.26211014      4.48450925      0.46161557
  H     -1.70763492      3.42101459      1.69870847
  H     -3.93658516      2.71135906      0.37487636
  O     -4.74316612      2.54277917     -0.13096431
  H     -2.39388710      4.28784960      0.60392555
  H      3.41781337      7.91223958     -3.15246791
  O      2.84382721      7.34886136     -2.63962045
  H      0.76944217      9.03575082      1.12184843
  H      3.21081959      7.32105358     -1.73745969
          69
 Energy    -248.16003110281088     
  O     12.77893759      4.22681801    -11.56581278
  H     13.60682967      4.00075606    -12.00752280
  H     14.19519257      9.43048526    -13.29999076
  O     16.22392039      9.78948255    -15.72420231
  H     13.03464741      4.59912647    -10.71329104
  H     17.35924121      8.27174866    -11.63093004
  O     18.23160167      8.08613220    -13.18683557
  H     16.38916045      8.83652044    -15.74909563
  H     16.72738998      9.12298341    -10.47041379
  O     16.28393259     10.86523085     -9.97482914
  H     15.40057400      9.91372085    -15.23393054
  H     15.23665568      8.12520478    -11.73582313
  O     11.38342604      9.34692809    -14.45223877
  H     17.73431921      7.69176773    -13.91987419
  H     13.71687324      7.98455721    -11.47472416
  O     17.95374398      3.36495077    -13.73399279
  H     18.41215961      8.99473081    -13.45568668
  H      9.95023932      4.78519071    -12.80000529
  O     11.87104410      6.74200742    -15.03160214
  H     16.18913538     11.17682862    -10.89471157
  H     11.42764757      4.96596916    -12.38971086
  O     16.29298529      5.56248770    -10.43452539
  H     16.87895638     11.46638361     -9.53496052
  H     14.74516178      5.36798223    -13.74536527
  O     13.59232542     10.40351102     -9.25675361
  H     10.70610636      9.68748115    -15.03078311
  H     14.37590047      6.84250508    -13.46698118
  O     17.87609292      4.69326661    -16.21549259
  H     11.56389189      8.43442398    -14.74373340
  H     17.53979341     10.44569225    -14.82461952
  O     16.04675194     11.56455996    -12.54535704
  H     18.27258058      4.10040344    -13.17865580
  H     18.84842581     11.26190387    -14.68851169
  O     14.04316215     10.14747458    -13.93434068
  H     18.45847005      2.59567455    -13.48267806
  H     17.21919900      6.32010787    -15.74678260
  O     16.79829928      8.23609316    -10.84129753
  H     11.38694686      6.21833447    -14.38056333
  H     15.93608719      6.76540327    -14.99641327
  O     14.37813520      8.05862783    -12.17273558
  H     12.80043496      6.50971772    -14.89911144
  H     17.95899933      5.43074046    -11.41881463
  O     10.67563512      5.40356394    -12.82604236
  H     15.48147637      5.47934658     -9.91843460
  H     18.65431330      6.33312941    -12.46493647
  O     14.46654067      6.18639047    -14.17503878
  H     16.48009936      6.51249791    -10.47520026
  H     10.94245123      8.61813450    -12.68942115
  O     18.22229191     10.74189691    -14.19247467
  H     14.52517998     10.56239112     -9.45999312
  H     10.65336662      7.18477173    -12.19986671
  O     16.78794455      7.07888738    -15.33333416
  H     13.14396544     11.22820208     -9.43426076
  H     16.17324964      3.67616017    -13.06777614
  O     18.61961134      5.43133230    -12.12309218
  H     17.66433621      4.08207680    -16.91744753
  H     15.72494226      4.57743754    -11.89386341
  O     10.76912373      8.09571637    -11.89801490
  H     17.91558631      4.16654908    -15.40340367
  H     13.33435118      6.39057137     -9.42453046
  O     15.39691617      4.05445165    -12.64097151
  H     16.82883546     11.37969723    -13.07998305
  H     13.47883513      5.32931871     -8.30909851
  O     13.73339390      5.52966439     -9.20621801
  H     15.29127440     11.22262591    -13.04196818
  H     12.93061606      8.77729768     -9.64205144
  O     12.65943427      7.90545099     -9.96204676
  H     13.11994539     10.05461714    -14.19519679
  H     11.89726619      8.01440318    -10.55220223
          69
 Energy    -248.15974040925221     
  O     15.69665362      8.85534720    -15.79282082
  H     16.09250551      8.96704292    -16.66789278
  H     18.18098928      6.93468946    -16.30087928
  O     14.09511731      5.10082953    -17.69246656
  H     16.23799330      9.34091719    -15.15814544
  H     17.28530743      6.33061808    -14.25785225
  O     18.04386812      6.03165130    -12.61624862
  H     13.27720389      4.79526691    -18.07572764
  H     16.36203189      7.16357806    -15.22791770
  O     18.29247740      4.59496496    -17.98317897
  H     13.86363515      5.80194838    -17.05676183
  H     14.17098191      7.80956964    -15.95303706
  O     12.45546463      6.07616848    -10.80618495
  H     17.76407143      5.13535881    -12.38315159
  H     13.53756810      6.86212105    -14.93536184
  O     14.67561716      3.95573974    -13.55587046
  H     18.97478152      6.00542613    -12.86887070
  H     16.01451212      3.80223604     -8.62253855
  O     16.17506245      7.93339730    -12.08034329
  H     17.69059611      5.06771956    -18.57980035
  H     15.61625267      4.95404036     -9.57599864
  O     18.06346612      2.60208153    -14.49819381
  H     17.69817829      4.15159781    -17.36862659
  H     15.37114383      4.16635348    -16.69793730
  O     13.40078389      3.53998179    -11.04585282
  H     11.55525174      6.13087762    -10.49847344
  H     16.39900229      4.80331368    -15.73559936
  O     19.64180657      8.52508767    -14.71356693
  H     12.68304239      5.12993758    -10.85510373
  H     21.47471985      5.82540389    -13.33923971
  O     19.99445870      4.23753946    -15.58996692
  H     15.00114398      3.83386653    -14.45395412
  H     20.43568640      5.42250649    -14.41139242
  O     18.78685944      7.18152425    -17.01888012
  H     14.43918761      4.89098381    -13.46649170
  H     16.15778596      3.66167014    -12.56380405
  O     16.91534591      6.37703656    -15.14862870
  H     16.50688418      8.70214717    -12.55611064
  H     16.69934412      3.60084034    -11.11828563
  O     13.57889385      7.04910856    -15.88235817
  H     16.87594496      7.26529811    -12.14935298
  H     14.14644778      6.56311621    -10.02256236
  O     15.80692084      4.00006612     -9.53176104
  H     17.79289306      2.76831607    -13.58680199
  H     15.48408886      7.19242173    -10.45894015
  O     16.06726616      3.95014899    -16.06451142
  H     17.31656746      2.86674642    -15.04955480
  H     15.50354718      5.79303395    -18.77867727
  O     20.61654291      6.05061681    -13.68782494
  H     14.17953099      3.52932614    -10.47495012
  H     16.38226844      7.03630289    -19.01077852
  O     16.96989542      3.56182025    -12.04377075
  H     13.73470983      3.47889763    -11.95060356
  H     14.67971384      7.11899523    -12.81822870
  O     15.08336832      6.61755100     -9.79514342
  H     19.51237274      8.21333324    -15.61890918
  H     13.31066804      6.52018802    -12.39810012
  O     16.30599468      6.09949733    -19.22036199
  H     20.06850830      7.78514080    -14.26446049
  H     18.24748168      9.39428414    -14.08663189
  O     13.92259192      6.61075881    -13.13941496
  H     19.41206827      3.58488109    -15.17034683
  H     17.68927750     10.74063440    -13.57297951
  O     17.43492758      9.85090624    -13.80445927
  H     19.68224343      4.32105445    -16.49495179
  H     17.36980993      9.41421296    -18.90945783
  O     16.98804551      8.80018459    -18.28703015
  H     18.88498764      6.35872746    -17.51157587
  H     17.72346240      8.28729574    -17.90858839
          69
 Ord_Energy   -248.159561    
 O   -3.89218140       3.91629362      -1.37938845    
 H   -3.50890660       3.65610600      -2.22473669    
 H   -3.17782092       4.30169058     -0.849082828    
 O  -0.423065364      -2.43749189       3.04641247    
 H   -1.33714235      -2.39772367       2.71361613    
 H  -0.276889563      -3.33378983       3.33766770    
 O   -1.94026542      -2.08998179     -0.829834580    
 H   -1.15203059      -1.75053823     -0.380612075    
 H   -1.70940650      -2.08695245      -1.76723278    
 O   -5.50753403      -1.61620414       1.35219371    
 H   -5.37339115      -1.48848867      0.403417706    
 H   -5.70321655     -0.741550446       1.70940018    
 O   -2.85170031      -2.04343247       1.84244847    
 H   -2.56470609      -2.14594817      0.925315440    
 H   -3.81961370      -2.02354121       1.81287146    
 O   0.139517456      -1.03747272      0.648851991    
 H   0.163827747      -1.49482739       1.49674201    
 H    1.04065287     -0.820238352      0.378583252    
 O   -5.52225304       1.13881266       2.21445870    
 H   -6.19975233       1.79822743       2.33686972    
 H   -5.06534433       1.35549605       1.38147986    
 O   -3.29023027      0.143829063      -3.62055159    
 H   -2.53458714     -0.454504550      -3.66471577    
 H   -3.86884546     -0.215240017      -2.93710232    
 O   -4.50914001     -0.911000907      -1.25920963    
 H   -4.44945383      -1.83281898E-02 -0.884444714    
 H   -3.65102434      -1.32964551      -1.10460925    
 O   -1.81043124       4.75140285      0.295030653    
 H   -1.82776320       4.21888781       1.10094285    
 H  -0.895826578       4.72394037      -6.62670005E-03
 O   -4.11394119       1.55825531      -7.67638609E-02
 H   -3.16902852       1.36612284      -5.31844003E-03
 H   -4.18260574       2.40616727     -0.540242910    
 O    2.54283333      -6.35789931E-02 -0.329458326    
 H    2.41132092      0.796866953      0.110692091    
 H    3.47637534     -0.251794517     -0.294111520    
 O   -1.35462487       1.25803757       8.53346288E-02
 H  -0.839398205      0.477124721      0.320444465    
 H   -1.31071877       1.86945319      0.833114624    
 O   -2.96507025      0.517023265       3.15363264    
 H   -3.88974571      0.770500898       3.03744912    
 H   -2.85791659     -0.301414728       2.65129113    
 O   0.872403204       4.27020741     -0.702382803    
 H   0.457513332       3.65901828      -1.33594465    
 H    1.34300554       4.92172384      -1.21674693    
 O    2.05541396       2.26087976      0.927295923    
 H    1.67130530       3.00679016      0.450264215    
 H    1.71157014       2.28771257       1.82817471    
 O   -1.55190611       2.83366656       2.36632490    
 H  -0.702903628       2.77621174       2.82236552    
 H   -2.09786153       2.10368514       2.68975544    
 O  -0.442685157       8.95535722E-02   4.34593010    
 H   -1.36607623      0.283571631       4.13471842    
 H  -0.301267117     -0.813293576       4.03839397    
 O   0.947322190       2.27691913       3.55208588    
 H   0.532212675       1.45461404       3.86838746    
 H    1.34029245       2.69589067       4.31371880    
 O   -1.06264138      -1.64512336      -3.46434093    
 H  -0.312884957      -1.07066107      -3.22617793    
 H  -0.763730466      -2.21112943      -4.17097235    
 O   0.931515694       3.50249298E-02  -2.72266364    
 H    1.54673469      -3.48234214E-02  -1.98482907    
 H   0.527938962      0.911339343      -2.65000844    
 O  -0.435716450       2.42180014      -2.22557783    
 H  -0.814123392       2.00609922      -1.43370664    
 H   -1.16968679       2.61784625      -2.82095146    
 O   -2.72197008       2.78766608      -3.76931667    
 H   -2.94632983       3.10095596      -4.64132214    
 H   -2.97808695       1.84800112      -3.73645234    
          69
 Ord_Energy   -248.159500    
 O   -3.56091070       2.57167459      -1.29833508    
 H   -2.70224261       2.98654366      -1.12727535    
 H   -3.79717994       2.78262949      -2.20993447    
 O    2.63355899     -0.796587586      -2.08441544    
 H    2.24355578     -0.100463808      -2.63060570    
 H    2.02161288      -1.53617764      -2.15982771    
 O    2.98016357      0.628361940      0.292183340    
 H    2.78338456       7.22791776E-02   1.05164731    
 H    2.97393513       5.15252203E-02 -0.488058269    
 O    2.20906830      -1.17711890       2.46443772    
 H    2.89841890      -1.50974274       3.03521633    
 H    1.46658862     -0.932882786       3.03840923    
 O    7.75364265E-02   3.00693846      -5.18611670    
 H  -0.386606306       3.61181140      -4.57922554    
 H   0.472754061       3.54531193      -5.86592913    
 O   -3.89819789      -1.51594400       1.12767911    
 H   -4.66012287      -2.03423357      0.880186081    
 H   -3.60467839      -1.04904068      0.327410787    
 O   -1.19466531       1.55927396       2.67969728    
 H   -1.32123196       2.50352144       2.53066301    
 H  -0.969322383       1.16307974       1.82341993    
 O   -1.13062143       3.84934545     -0.729034305    
 H   -1.30341947       4.10232210      0.185372442    
 H  -0.294576049       3.36015749     -0.732708216    
 O   -2.19912863       1.26140153      -5.05708218    
 H   -1.91234934      0.515097082      -4.51560354    
 H   -1.40472257       1.77461302      -5.25215483    
 O   0.434079826      -2.70095468      -2.16537452    
 H   0.522149503      -3.62642336      -2.37997007    
 H   0.444795519      -2.63664365      -1.19474924    
 O   0.983861148       1.13473260      -3.32843232    
 H   0.209399045      0.557296991      -3.27109599    
 H   0.802151382       1.77929723      -4.02286911    
 O   -1.21037734     -0.619842052      -3.16257381    
 H  -0.697809935      -1.40000975      -2.91507816    
 H   -1.85587847     -0.477396727      -2.45705724    
 O   -4.30220222       3.26216793       1.34375513    
 H   -4.35535431       2.42841625       1.83404517    
 H   -4.23938227       3.02776623      0.409012765    
 O    1.11661482       2.26561165     -0.817788541    
 H    1.87015033       1.85490942     -0.366709620    
 H    1.12539744       1.95301890      -1.73439598    
 O   -2.85794353      -6.02474213E-02 -0.954193711    
 H   -2.01950336       7.98415467E-02 -0.485229701    
 H   -3.23201680      0.819951057      -1.10128367    
 O   -1.51104772      -2.48796844       2.33082342    
 H   -2.36289358      -2.16746116       2.00713396    
 H   -1.19301760      -1.85150635       2.98044610    
 O   -1.39223361       4.51111841      -3.47448349    
 H   -2.29177427       4.20830202      -3.65023661    
 H   -1.26075649       4.42744493      -2.52110100    
 O   -3.86245775       3.13683605      -4.01273108    
 H   -3.33717799       2.42157936      -4.41467762    
 H   -4.57911253       3.32511163      -4.61215591    
 O  -0.495269120      0.329254508      0.330848426    
 H   0.108700819      0.952704608      -9.44513902E-02
 H   -6.98977634E-02 -0.535105288      0.362875015    
 O   -6.96846694E-02 -0.528459609       3.99401689    
 H  -0.450718671      0.282460272       3.61468768    
 H  -0.240122214     -0.496294051       4.93233728    
 O   0.509035051      -2.31384492      0.531630397    
 H    1.24677849      -2.06615829       1.10160565    
 H  -0.237859517      -2.51676273       1.11766362    
 O   -1.86803317       4.21862602       1.98626089    
 H   -1.90877569       5.02570438       2.49173307    
 H   -2.78839254       3.95461297       1.79766715    
 O   -3.97498202      0.866214871       2.72356915    
 H   -3.03007770       1.05053973       2.80104685    
 H   -4.04073286       3.23154517E-02   2.24442840    
          69
 Energy    -248.15948475956378     
  O     -7.13535375     -2.58997797      5.81857535
  H     -7.74455712     -1.92858705      6.17022879
  H     -7.39295389     -1.50205690     -0.22043258
  O    -10.03353700     -2.57069606      2.33534141
  H     -6.31064590     -2.12924257      5.62796074
  H     -4.74411649      1.84942634      3.39053517
  O     -7.96732132     -4.04295789      3.66963924
  H     -9.42743308     -3.16592900      2.79119480
  H     -4.63218692      0.99379488      2.09641204
  O     -5.41816082      0.92506797      0.41778870
  H    -10.28938641     -1.90965637      2.99171087
  H     -7.35364848     -0.55602455      2.81917445
  O     -6.70729799      0.96619357      5.58207433
  H     -7.90817962     -4.97849034      3.84349143
  H     -7.42237397      0.56824819      3.89490069
  O     -5.16178998      5.45845445      1.16785825
  H     -7.72174178     -3.58784700      4.49474005
  H     -1.21556210      2.34454978      2.38994599
  O    -10.42078183      1.20417077     -0.01518988
  H     -5.61442796      0.04148183      0.08621859
  H     -2.73306083      2.09563444      2.55223420
  O     -8.81342133     -0.41847020      6.65217936
  H     -6.27816019      1.36246671      0.51036915
  H    -10.12702598      4.68483255      4.11501535
  O     -4.98892940     -0.99169726      4.58883113
  H     -6.04056972      0.29548729      5.37288460
  H     -9.02969042      4.14016200      3.19165334
  O     -3.89312964      3.29771914      0.11640977
  H     -6.35816276      1.82334530      5.29988916
  H    -10.78966663      2.47631134      2.90732136
  O    -10.25516222     -0.41659592      4.15371067
  H     -4.73657412      4.70470064      0.72074206
  H    -11.06341776      0.97325093      3.15422870
  O     -6.42729930     -1.63100883     -0.29211969
  H     -5.06457518      6.21060868      0.58983959
  H     -6.32017735     -2.05801456      1.49736081
  O     -4.21656927      1.16586806      2.95316652
  H    -11.10636263      1.46397335     -0.62366232
  H     -6.91351445     -2.84412468      2.71719207
  O     -7.79973388      0.26668756      3.05980842
  H    -10.76636883      1.36522898      0.88270809
  H     -9.44214037     -1.80177543      0.81168604
  O     -2.07117030      2.74402900      2.25704007
  H     -9.04523844     -0.15452044      7.53922473
  H     -9.56688530     -0.50589381     -0.02659095
  O     -9.88538496      3.92442082      3.59133001
  H     -8.10975737      0.18506108      6.35696264
  H     -4.09799699      5.18395861      2.77484335
  O    -11.19379322      1.68767323      2.51888631
  H     -4.50127292     -0.29175756      4.13379816
  H     -2.95202281      4.23223620      3.15390468
  O     -6.36668685     -2.09027036      2.46062011
  H     -5.40659032     -1.48497662      3.86564496
  H     -6.36531700      3.50801623      3.69512828
  O     -9.05976935     -1.31970785      0.06331894
  H     -3.14868746      3.13765109      0.70989090
  H     -4.93838723      3.77287093      4.22714374
  O     -3.62426121      4.81336762      3.53056186
  H     -4.37782460      2.46342693      0.06784389
  H     -8.73922653      1.81440682      0.45410334
  O     -5.68603853      3.16099848      4.28909445
  H     -9.98950900     -0.46525847      5.07770925
  H     -7.93122236      1.36883529      1.69678414
  O     -7.91417661      1.96525181      0.92975872
  H     -9.44796873     -0.16688461      3.67585634
  H     -7.59006453      3.48927280      1.77255416
  O     -7.39636820      4.23490672      2.36199953
  H     -6.27865939     -2.17783865     -1.05820755
  H     -6.70670864      4.75956822      1.93723069
          69
 Energy    -248.15937755749871     
  O     16.85184650      7.29508442    -13.60672523
  H     17.68574711      7.50677833    -13.16898123
  H     18.39612595      7.24412938     -9.07194972
  O     12.82317617     11.80991720    -10.86606360
  H     16.93978086      7.41934885    -14.56378415
  H     15.28969542     10.08618400    -11.56763706
  O     16.87031012      7.94879271    -16.25036458
  H     12.21320610     12.03092324    -10.16737197
  H     14.49613904     10.93413595    -10.54379394
  O     12.14836682      9.40515679    -11.88913982
  H     12.50887796     10.97516227    -11.25993482
  H     19.69506558      5.20942382    -10.08740438
  O     14.86651662      5.97448406    -12.28243196
  H     16.03944765      8.38528438    -16.47080866
  H     18.19361781      5.49257570    -10.33037116
  O     19.01706654      8.06937286    -12.05838717
  H     17.56302107      8.60480326    -16.40242728
  H     16.07064356     11.26723074    -13.56118052
  O     19.68559487     10.06486099    -13.91761924
  H     12.60146691      8.71790003    -11.38511494
  H     15.58590791     12.72645909    -13.35011506
  O     17.95938602     10.08654947    -10.41010386
  H     12.32774465      9.23151756    -12.82265984
  H     16.12404461      5.36348417     -9.51092327
  O     14.52905183      9.60867913    -16.81456558
  H     14.53326536      6.62033532    -11.64335143
  H     15.97125824      5.11550409    -11.02010090
  O     13.04867246      6.14226007    -14.35426713
  H     15.59003112      6.39745760    -12.77260768
  H     14.57983627      9.42277004    -13.64611844
  O     13.08887452      8.88131795    -14.50551589
  H     19.16154533      7.28817301    -11.50995114
  H     15.99467457      8.85668146    -13.37065476
  O     17.86456040      7.89673402     -8.59897106
  H     18.63344787      8.74427876    -11.47952375
  H     19.14585749     10.03977312    -15.56169651
  O     15.22605294     10.31089372    -10.62373269
  H     19.60139185      9.29485705    -13.34045555
  H     19.55828957     10.06543686    -17.05090989
  O     19.07429358      5.90629068    -10.28141000
  H     19.45417165     10.82633150    -13.37280482
  H     17.25931898     11.10233680    -16.47122383
  O     16.34516638     12.19517337    -13.62754112
  H     18.29992735     10.84181385    -10.90434857
  H     16.40059923     11.91784202    -15.48567924
  O     16.54281411      4.92858537    -10.26386559
  H     16.99669523     10.19467644    -10.38773884
  H     14.45381620      8.66529995    -10.37993885
  O     15.43522010      9.63435637    -13.24986921
  H     14.22569675      9.69078867    -17.71533113
  H     14.35214630      7.36776026     -9.56267377
  O     18.80135890     10.02751768    -16.47252031
  H     15.14468937     10.34755996    -16.66226451
  H     19.03534382     13.02552915    -12.10516113
  O     16.40060480     11.53406687    -16.37163303
  H     13.65548952      5.96084268    -13.61870792
  H     17.85793959     12.23748208    -12.72663712
  O     14.00015756      7.81137827    -10.34477433
  H     12.93207750      5.31313572    -14.81034304
  H     13.58362924     12.92476071    -12.11700398
  O     18.68903345     12.14555495    -12.22868583
  H     13.02847277      7.91300155    -14.51632661
  H     13.35106914     13.87852758    -13.29707114
  O     14.03892955     13.45757781    -12.78583433
  H     13.46811345      9.15141860    -15.35173558
  H     16.30020398      7.15555603     -8.30690209
  O     15.46760487      6.65458207     -8.23606745
  H     17.96613190      8.72409538     -9.08574003
  H     15.32264643      6.49316955     -7.30771858
          69
 Ord_Energy   -248.159302    
 O  -0.277001590       1.98059404       1.55239022    
 H   0.282225192       1.22214425       1.40309048    
 H   -1.14747906       1.64044714       1.83273959    
 O   -5.17168808       4.43623209      0.759497404    
 H   -5.53687572       4.92352533       1.51292968    
 H   -4.99184608       5.05962896       3.85264009E-02
 O   0.910978496       8.45807266      0.545994043    
 H   0.971594691       8.00006580       1.39394867    
 H   0.553161561       7.81258917      -7.90110230E-02
 O   -2.22875786       9.16938400       5.95028973    
 H   -1.86376143       9.25576401       5.05458784    
 H   -2.71241140       9.97468567       6.11604071    
 O   -4.52915287       1.87787139      0.197695836    
 H   -5.26938248       1.40716255     -0.175568715    
 H   -4.84436893       2.77452970      0.410710275    
 O   -2.77930069       4.99995518       2.08878827    
 H   -3.52412891       4.71578741       1.54356790    
 H   -2.98266792       5.90538836       2.36048055    
 O   -3.57208633       7.62678766       2.44453096    
 H   -2.91187596       8.11974430       2.94494009    
 H   -3.38625407       7.81686354       1.51391387    
 O   -2.01372504       2.63243413     -0.872962415    
 H   -1.39757943       2.44915199     -0.159404114    
 H   -2.87643218       2.31861377     -0.570064485    
 O   -3.12971449       3.20339870       4.16416073    
 H   -2.97603321       3.84047961       3.44874239    
 H   -3.77021027       3.62719774       4.74597883    
 O   -5.78389168       5.93677044       2.99307108    
 H   -5.55817652       5.58040285       3.86057401    
 H   -5.16299248       6.66378450       2.84730363    
 O   -2.09952784       4.81005716      -2.50090241    
 H   -2.04767227       4.01241350      -1.94507861    
 H   -2.04834270       4.51807356      -3.40723729    
 O   0.462282330       6.94235563       2.95080066    
 H   0.481995285       6.56892347       3.84143877    
 H   0.290539920       6.19028282       2.36692214    
 O   -4.30959034       6.12720680      -1.21070874    
 H   -3.91029787       6.95406818     -0.913096189    
 H   -3.63096714       5.68605947      -1.73624980    
 O   -4.79385567       4.97683334       5.53851414    
 H   -5.27075529       4.99704456       6.36356258    
 H   -3.99590611       5.52436113       5.66298485    
 O   -2.52891350       6.41195583       5.83197546    
 H   -1.62410796       6.11144257       5.69777679    
 H   -2.47961903       7.36918116       5.96137238    
 O  -0.360837400       3.08330178       4.40155125    
 H  -0.152719155       2.70037293       3.54633474    
 H   -1.32724488       3.05459929       4.46903133    
 O  -0.218306184       4.79798126       1.29638565    
 H   -1.30752400E-02   3.85961890       1.34260905    
 H   -1.15005004       4.87247562       1.56686020    
 O   -2.74280858       1.19752669       2.28727031    
 H   -3.42730713       1.31613374       1.61739898    
 H   -2.99415851       1.76151848       3.03253698    
 O  -0.553028941       6.48560572     -0.858656049    
 H  -0.375395864       5.85100603     -0.148406133    
 H  -0.993413389       5.98388720      -1.55528629    
 O   -1.03335762       10.3249798      0.821764529    
 H  -0.782878637       11.1916895      0.514351010    
 H  -0.266125470       9.74065590      0.677627742    
 O   0.197153613       5.56215000       5.37594700    
 H    6.02309406E-02   4.65870333       5.04091930    
 H   0.749185503       5.48783970       6.15049601    
 O   -1.31864393       9.07156467       3.35129714    
 H   -1.25932050       9.62633133       2.56456113    
 H  -0.693740010       8.34240913       3.22826290    
 O   -2.67460513       8.19587994     -0.137731567    
 H   -2.26073527       9.03862762       8.22701827E-02
 H   -1.94829977       7.59837341     -0.368855745    
          69
 Energy    -248.15928571016866     
  O     12.99861879      4.89595285    -15.92253128
  H     13.23970425      4.96434414    -14.98377765
  H     19.69286257      4.88087234    -16.89002178
  O     17.98747029      6.19146726    -11.97328750
  H     12.10946919      4.55095118    -15.95292584
  H     18.95249395      8.61024302    -16.28568846
  O     19.09145349      5.75065463    -18.24767367
  H     18.79613642      6.06183824    -12.49022343
  H     18.19918699      8.92462403    -17.63021178
  O     16.51995267      5.25222048    -19.41593666
  H     17.52234324      6.92280725    -12.40307140
  H     17.23662519      7.27147021    -16.41024416
  O     14.30476820      7.08554106    -10.02357587
  H     19.03878215      6.67159012    -17.95332536
  H     15.69885953      7.02885218    -16.23905127
  O     13.79303774      5.16190614    -13.30134323
  H     18.25237873      5.55829251    -18.68257905
  H     13.42801687      8.82145298    -14.00728444
  O     16.79332100      8.17028939    -13.50433540
  H     16.01949547      4.74795107    -18.75118412
  H     13.00883943     10.11483693    -14.72616707
  O     17.19995265      4.15475849    -15.54132222
  H     16.43274322      4.77576439    -20.23811730
  H     15.94763275      4.24852504     -9.91133067
  O     12.94943040      4.61017952    -10.67398237
  H     13.74633654      6.30481759    -10.12708695
  H     15.76653186      3.53639226    -11.26018827
  O     19.27980219      8.93657514    -14.44830967
  H     15.17230963      6.75248961     -9.76322470
  H     13.55265579      6.56397931    -16.55744174
  O     15.21171222      3.86213219    -17.46951229
  H     13.34658773      4.96451909    -12.46776193
  H     13.65098900      8.06913490    -16.16478858
  O     19.94159670      4.42259599    -16.06617607
  H     14.69035749      4.80455602    -13.22246949
  H     20.04077714      5.60608089    -14.57036573
  O     18.63809076      8.23120293    -17.11399166
  H     15.90131341      8.24043689    -13.14307866
  H     19.93485136      7.08172010    -14.11571070
  O     16.56946305      6.82116585    -15.87461308
  H     16.70649696      7.67076494    -14.33228563
  H     16.93019101      4.82069840    -12.59291527
  O     13.11905254      9.17608126    -14.85551787
  H     18.14933123      4.08421258    -15.69512751
  H     16.64343474      3.96931033    -13.84902778
  O     15.42772329      3.56583347    -10.35439589
  H     16.97608902      5.09308240    -15.65481120
  H     17.35386416      6.00717505    -10.32578048
  O     13.99772634      7.39404990    -16.76598529
  H     13.78955430      4.14707879    -10.50016134
  H     17.49942414      6.03422120     -8.78800670
  O     20.02554609      6.17785309    -13.79314695
  H     12.26947163      4.13524619    -10.20441719
  H     15.81728298      7.01265895    -19.28467973
  O     16.33917390      4.14279346    -12.94780924
  H     18.40611160      8.80281581    -14.04479055
  H     14.81879423      7.76590532    -18.38289498
  O     16.87300778      5.87902822     -9.49040433
  H     19.66607244      9.69552875    -14.01793535
  H     14.19678745      7.79077563    -11.67976660
  O     15.43768621      7.88348878    -19.11613220
  H     15.90620331      3.78191629    -16.80007345
  H     14.03637385      6.98665713    -12.98208322
  O     14.17504907      7.88171978    -12.64299839
  H     14.41990324      4.13926568    -16.99606071
  H     16.51380688      9.24849236    -18.87517191
  O     17.16978978      9.93287601    -18.65204701
  H     20.64786355      3.82194685    -16.28778201
  H     17.17079242     10.54481096    -19.38254824
          69
 Energy    -248.15918417825458     
  O     10.42598760     11.26335611     -9.74200075
  H     10.83433107     11.93576458    -10.31476330
  H     14.73201271     12.47685816    -14.46632182
  O     13.25916124      9.84587394    -17.47003545
  H      9.62667961     11.64618101     -9.38914980
  H     16.23072097      8.34095703    -10.57723700
  O     10.49464324      9.25790362    -11.77303459
  H     13.43150952     10.79800856    -17.36022235
  H     15.23118664      8.03068507    -11.71072406
  O     13.21577917      8.91107647    -14.80662542
  H     13.63852762      9.59601354    -18.30854071
  H     13.37741764      9.14312317    -11.80325600
  O     13.52913627     12.55261742    -17.13338774
  H     11.28555820      8.72020236    -11.66801588
  H     13.24243970      8.13724564    -12.96269486
  O     11.00034572     10.43957773    -14.18813699
  H     10.44274900      9.83644249    -11.00189716
  H     14.54180352     13.27465494     -9.86271009
  O     13.56794524      7.81442358     -9.13210774
  H     13.29192130      9.02121304    -15.76313257
  H     14.69954886     14.26859217    -11.03031010
  O     13.69076690     10.88088498    -11.69230675
  H     12.42629225      9.41823936    -14.55777748
  H     17.08652278      9.24444554    -12.50964865
  O     12.66321084     10.28482559     -8.31667959
  H     13.97069243     12.94733589    -16.37136495
  H     18.31857342      9.53575885    -13.40497607
  O     17.12632714     12.26899789    -11.46516943
  H     12.63259760     12.91054025    -17.12504612
  H     11.29074273     13.35550193    -14.96005534
  O     11.79042680     12.94412020    -11.37163145
  H     10.69860666     10.07463952    -13.34402897
  H     12.67159462     13.31069532    -14.26269414
  O     14.45198581     13.39943821    -14.57989475
  H     11.23559305     11.36629439    -14.05984407
  H     14.69255791     11.16469358    -10.26876832
  O     16.16354763      8.18995537    -11.52880175
  H     13.12232692      8.61272948     -8.80493294
  H     15.57876621     10.58065045     -9.13546331
  O     13.27305395      8.19630540    -12.00026558
  H     13.34850159      7.73686310    -10.06627654
  H     14.53451330     10.08257237    -14.38694602
  O     14.09381009     13.98701337    -10.33298013
  H     14.19763410     10.98635427    -12.50876066
  H     15.96503480     10.47145760    -13.85384074
  O     17.52123852      9.92451281    -13.05664733
  H     13.00140307     11.55485303    -11.66588665
  H     10.57948821     12.33989262    -16.89054351
  O     11.72194628     13.19202242    -14.11246581
  H     11.87738430     10.65950279     -8.73515942
  H     10.13626256     13.76707009    -17.29487868
  O     15.21632684     11.40480987     -9.48560385
  H     13.39551738     10.87018003     -8.52925482
  H     16.49980925      8.42294865     -8.00758293
  O     15.09166738     10.81219087    -14.08246691
  H     17.35490848     11.48861408    -11.98376288
  H     15.17402484      8.37021180     -8.80694267
  O     10.77265358     13.28746792    -16.77208324
  H     16.61557804     11.95764943    -10.70833714
  H     16.44375525     13.72101067    -12.14419659
  O     16.05171796      8.79367706     -8.76281576
  H     12.53048420     13.45025273    -11.00167634
  H     16.56666274     15.23646987    -12.43230149
  O     15.95497405     14.50476082    -12.45445406
  H     11.66898058     13.18828148    -12.29858943
  H     10.51084035     10.42019149    -15.96829082
  O     10.50963526     10.58788051    -16.92254602
  H     14.94993377     13.90959283    -13.93101389
  H     11.33993099     10.21886333    -17.24556253
          69
 Energy    -248.15918297858914     
  O     12.02907933      9.70370870    -15.67252667
  H     12.74776656      9.47519554    -16.27937828
  H     15.75238749     12.45893598    -15.79209029
  O     16.98479841      7.30559546    -13.63274531
  H     12.22041044     10.58283242    -15.32811922
  H     14.97539218      9.13731167    -15.36862508
  O     16.30909675     10.64686365    -11.01499122
  H     17.52926482      7.75065373    -12.96850990
  H     15.93991620      8.62958976    -14.24481176
  O     17.14916135     11.40912604    -15.20377832
  H     16.27139237      6.86714886    -13.15000559
  H     11.64474529      8.33449637    -14.70722740
  O     15.12319877      6.17300058    -16.98029364
  H     15.49729554     10.73617449    -11.53290585
  H     10.59513906      7.26406807    -14.32347867
  O     12.94574570      8.31862889     -9.06378312
  H     16.04373117     10.29612583    -10.15520645
  H     16.20432919      7.70115218     -9.41773979
  O     14.88170478      6.38172343    -12.06797520
  H     17.50651762     11.76057549    -14.37377048
  H     17.30447888      7.43067685    -10.44568934
  O     14.02376961     10.66765889    -12.62775189
  H     16.54967761     10.68419988    -14.96396426
  H     12.97495772      6.41058914    -14.53429206
  O     17.61138843      7.46281503    -16.32047166
  H     14.95182924      5.40769624    -17.52270426
  H     14.18608283      5.86953550    -13.75488775
  O     19.35092501      9.52635311    -15.28098686
  H     14.67850047      6.01554061    -16.12758784
  H     17.53432341     11.68915028    -12.05452999
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  H     12.80790784      8.29569338    -10.02456748
  H     18.94524741     11.49067899    -12.65031255
  O     14.92080649     12.82781175    -16.12408999
  H     12.48369784      7.56055555     -8.71395810
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  O     15.40882912      9.37993488    -14.54173550
  H     14.18690629      7.04391774    -11.95700438
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  O     11.49048819      7.54578104    -14.15605468
  H     15.44447942      6.45089830    -11.28239969
  H     14.53050253      9.01801530     -8.75286006
  O     16.57612470      7.00598496     -9.97261729
  H     13.51430715     11.32645045    -13.11202359
  H     15.56006965      9.57998945     -7.74592575
  O     13.79139723      5.90627913    -14.63507884
  H     14.51391447     10.17229538    -13.30610610
  H     17.14791276      9.06487315    -17.28401123
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  H     16.89101105      6.94631524    -16.70116993
  H     17.00661996     10.56679471    -17.00838372
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  H     17.50655636      7.33677077    -15.36448625
  H     12.26678571      8.03406839    -12.55348020
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  H     13.18705234      9.17777233    -12.04659160
  O     16.76913989      9.88103590    -17.64160713
  H     18.96869464      8.75647280    -15.71670806
  H     12.17994727     13.04160772    -14.52717342
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  H     20.05158615      9.83309398    -13.70368696
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  H     21.24227438     10.16540762    -12.77274441
  H     14.45991292      7.91228618    -17.15565421
  O     14.27995960      8.85799299    -17.07554774
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  H     15.05859083      9.31518648    -17.42651477
          69
 Energy    -248.15916387011401     
  O     15.91288908     11.18128701    -16.70696737
  H     16.43822685     10.79191355    -17.41700947
  H     15.02378924      5.51236060    -17.60006574
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  H     13.68756861      6.11439304    -15.83359555
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  H     16.82940347      8.37811954    -14.58137201
  O     13.71921156      5.97346016    -13.98407925
  H     20.84479409      6.35501974    -18.54118052
  H     15.98303073      8.25716338    -15.85404947
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  H     17.01242975      6.24772699    -18.69344616
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  H     17.69464663     12.44083544    -13.98808952
          69
 Energy    -248.15908258606902     
  O     -5.94643139      3.14058667     -1.99871792
  H     -5.98609014      2.81177358     -1.08942499
  H     -4.49829923     -0.34870720      2.25805755
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  O     -5.61391722      1.74419555      0.41237933
  H     -1.66798503      3.22499397     -4.77047601
  H      0.32094645      1.70095059      2.43488715
  O     -3.25366669     -1.15748720      1.09373256
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  H     -1.52878152      3.87922353      0.25143961
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  H     -4.70070790      1.63118499      0.09955756
  H      2.84367310     -1.93917498      2.39210695
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          69
 Energy    -248.15906466082129     
  O      1.83904190      1.34364425     -2.24836943
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  H     -2.92039855     -1.62507595      5.09710265
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  H      0.47409707      1.11008370      0.42243451
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  H      2.37010472     -1.57720019     -1.99849716
  H     -2.26705053      3.66861506     -0.37157070
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  H      1.96378089     -2.04565213     -3.41730502
  H     -1.23380931      0.29000170      2.75909687
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  H      0.09892844     -1.51151040     -1.71521383
  O     -5.82463142      0.54940938      2.61269237
  H     -4.65892815      1.22885154      3.96246999
  H     -0.47938033     -1.90597698     -0.31892494
  O     -5.28044078     -2.07561977      2.87515474
  H     -3.41063776      2.13283922      4.11101351
  H      1.37733359     -2.27568098      1.69487439
  O     -2.23182401      3.10177860      3.14952163
  H     -4.88271573     -4.29378118      0.16312265
  H      2.63961346     -2.52620162      2.55756245
  O     -2.83773830     -2.14140589      4.28717226
  H     -4.04669650     -2.99321851      0.13502282
  H     -3.27286400      0.45540911      5.72492552
  O     -0.01449744      1.46469202      3.52886687
  H     -1.05583673     -0.24669564      5.92927584
  H     -3.27198266     -0.06358979      7.18326738
  O     -2.25628903      2.95681745      0.26304178
  H     -0.14709352     -1.31639268      5.33309390
  H      2.61772715      1.09241139      1.03602087
  O     -1.74554590     -0.43338969      2.37693871
  H      4.51661368      1.96647581     -0.55396949
  H      2.04812425     -0.15288890      1.75329676
  O     -0.64657912     -1.38278539     -1.11618627
  H      3.17379558      1.42793627     -1.10737395
  H     -2.40310198     -3.68140027      3.20877065
  O      2.29653499     -1.99336796      1.84497242
  H     -6.76401351      0.71013609      2.60802602
  H     -2.93368572     -4.16143217      1.84632117
  O     -2.86092503     -0.18739152      6.33273729
  H     -5.70157318     -0.41255765      2.71565252
  H     -0.85395558     -3.27707535      1.68479202
  O      1.89733650      0.78992643      1.60329739
  H     -5.09082759     -2.65179212      2.12469107
  H     -0.77478351     -1.73758818      1.71186222
  O     -2.17553284     -4.22427897      2.44234885
  H     -4.51986445     -2.15720653      3.46537684
  H     -3.63365824     -0.83440013     -0.33521984
  O     -0.31132540     -2.52989872      1.39685571
  H     -1.38672893      2.67221587      3.34563122
  H     -2.51255192     -1.60437289     -1.05895039
  O     -3.43792717     -1.66418589     -0.79235581
  H     -2.26542836      3.18019300      2.19026670
  H     -4.51416520      0.73431914      1.33668836
  O     -3.75602422      0.64173167      0.74495133
  H     -2.46829333     -1.53245633      3.62830593
  H     -3.40081143      1.51898008      0.55689159
          69
 Energy    -248.15890396355144     
  O     11.53619724     11.07398418    -14.23887159
  H     11.90457733     11.88043842    -13.86059726
  H     18.58453507      8.07376201    -14.74994910
  O     16.00017274      7.90000177    -13.15539486
  H     12.13896278     10.81035348    -14.94880290
  H     14.84090584     13.20670915    -15.88929036
  O     18.70505225     10.15449017    -10.41759940
  H     16.75255628      7.84632608    -12.55479983
  H     15.77214957     13.25751386    -14.67281291
  O     17.18502354     12.08687737    -14.19912135
  H     15.28945647      7.36926745    -12.77662574
  H     14.53575614     10.34600809    -14.48906601
  O     14.11291517      7.55158625    -16.57948873
  H     17.77277770     10.38793931    -10.24466677
  H     15.38798424      9.49114852    -13.49348837
  O     14.86787946      8.39359039     -8.91258344
  H     19.17936528     10.31002431     -9.60532832
  H     10.00852842      8.64903555    -12.96512021
  O     14.03338828      6.48246299    -11.82242050
  H     16.46567553     11.47756523    -13.96419519
  H     11.12522444      9.61924669    -13.41821790
  O     13.94744481     11.39885908    -11.46439566
  H     17.97698830     11.76548220    -13.75491462
  H     12.09355002      7.56352497    -13.95664685
  O     17.14409222     10.76043563    -16.68485862
  H     13.64764259      7.28908461    -15.76413234
  H     13.17272383      6.57037845    -13.51300600
  O     16.25943848      6.12255875    -10.08432688
  H     13.77759464      6.99004902    -17.27374245
  H     19.20550482     10.66339428    -12.07719561
  O     16.83320332      8.07821348    -15.78047417
  H     14.06677442      8.47895922     -9.44586286
  H     20.30336907     11.26182286    -12.98617251
  O     19.16284058      8.14855660    -13.98266094
  H     15.31089699      7.59251263     -9.21462690
  H     18.66093469      7.59417704    -12.31713296
  O     14.91627065     13.56723699    -14.99854285
  H     13.62341325      7.28085058    -11.45410047
  H     18.39942154      8.40072156    -11.01711938
  O     15.09073923     10.38762304    -13.70089934
  H     14.70290500      6.19103635    -11.19182293
  H     15.75242859      9.88680662     -9.43990008
  O     10.95522126      8.75884652    -12.99337233
  H     14.37058278     11.01047115    -12.24817812
  H     15.44460189     11.07382796    -10.37451788
  O     12.76202102      6.95597292    -14.29675898
  H     13.49991936     12.18129753    -11.80140656
  H     15.03337946     12.43034380    -18.39428228
  O     19.43631552     10.86177821    -12.99883488
  H     17.08171828      9.83332606    -16.42202400
  H     15.77943844     11.62059675    -17.30454580
  O     18.20887210      7.56365800    -11.45935262
  H     17.29613651     11.26011031    -15.87121771
  H     13.20795915      9.75310979    -11.03018164
  O     16.15690434     10.64493175     -9.88651033
  H     17.00305461      6.55224938    -10.53696976
  H     12.11528077      8.79270495    -11.52923109
  O     14.95293122     12.09823993    -17.50482557
  H     16.62081039      5.37022836     -9.62153683
  H     12.48879859     14.26670267    -13.08985684
  O     12.86285139      8.85580354    -10.92076380
  H     16.02807048      7.82461838    -16.24649411
  H     13.59238148     13.47902530    -13.82529917
  O     12.86163872     13.39445563    -13.18793566
  H     16.59408412      7.98088071    -14.84603065
  H     13.92585824     10.86760187    -16.62581940
  O     13.50253728     10.24467266    -16.02047387
  H     19.28044114      9.09334207    -13.82231159
  H     13.69622328      9.34975489    -16.32569373
          69
 Energy    -248.15859251029084     
  O     13.74644266      9.15470313    -10.84657425
  H     13.69645576      9.82683527    -11.53893148
  H     17.14597268      4.40761835    -11.63247356
  O     14.04105731     11.13308823    -16.75969338
  H     14.28269898      9.48501937    -10.11247210
  H     12.71371775      7.78337492    -10.37486471
  O     16.56511812     10.98032081    -13.14693786
  H     13.82944854     11.84916858    -16.14774144
  H     11.31085606      7.17148128    -10.22138806
  O     16.08699377      6.99772312     -8.58566146
  H     13.69378672     10.33121240    -16.35050655
  H     18.76579678      8.22186073    -14.39656121
  O     16.45624268     13.08267630    -14.96313617
  H     15.61307298     10.83015049    -13.11494792
  H     19.06925837      6.73574893    -14.05119082
  O     15.71156858      7.55862341    -12.08641419
  H     16.89051341     10.95197869    -12.23543430
  H     14.72863143     13.20011997    -14.76527687
  O     13.72342230     10.73351612    -13.13547965
  H     15.43752593      6.32115637     -8.80876418
  H     13.39203527     13.97123243    -14.64360153
  O     18.30804469      8.15380579    -11.27575293
  H     16.94971148      6.64295384     -8.83351725
  H     13.98249086      8.37914533    -15.12749241
  O     17.38037103     10.64243849    -10.57116421
  H     16.64196061     12.45610897    -14.24764142
  H     12.45882791      8.28879455    -15.38200617
  O     18.66602718      4.90212167    -14.32774908
  H     16.69438732     12.62014989    -15.77514407
  H     16.91627860     11.44249226    -18.12775788
  O     15.95537513      4.83286400    -14.62350679
  H     16.59358356      7.80589913    -11.77605622
  H     15.76699198     11.19384953    -17.12306837
  O     18.11047581      4.38326033    -11.56126670
  H     15.06223335      8.10035660    -11.62413114
  H     13.65908198      4.48969855     -8.71640211
  O     12.23735748      6.98437361    -10.09615174
  H     13.63717760     11.60375873    -13.54589681
  H     13.35693553      5.72904520     -9.59163282
  O     19.23318742      7.64661358    -13.77764676
  H     13.47036945     10.08863774    -13.81016815
  H     14.86611151      4.72437645    -11.02005668
  O     13.76370086     13.09426889    -14.67529791
  H     18.54611791      7.45516957    -10.65675510
  H     15.49268254      5.79304863    -11.92697003
  O     13.16742118      8.90421677    -15.21424915
  H     18.73971343      7.97689578    -12.12625536
  H     18.47776147      5.36910112    -10.20044966
  O     16.73327509     11.28028324    -17.20623385
  H     16.75705634     10.42438433     -9.87024861
  H     19.36978795      5.71188142     -8.98207486
  O     14.05117527      5.09491523     -9.34063721
  H     17.84294822      9.81300044    -10.76834316
  H     15.56483552      7.58422255    -13.83888016
  O     15.35715909      4.83582817    -11.84115542
  H     17.71130001      4.83501642    -14.50365294
  H     16.23253268      8.17955786    -15.10008716
  O     18.61103710      6.00840523     -9.47688014
  H     19.09908143      4.31542116    -14.94232562
  H     15.34013527      9.95731356     -7.81074914
  O     15.50546567      7.61377931    -14.80704288
  H     15.61373924      4.67292566    -13.73364712
  H     15.70304005      8.69465220     -8.62733307
  O     15.44604491      9.63203545     -8.70061058
  H     15.73297585      5.74937956    -14.83635964
  H     17.28174726      9.94552639    -14.45046387
  O     17.54242818      9.42653893    -15.22775742
  H     18.44183391      4.52482097    -12.45544425
  H     17.40134401      9.99938633    -15.99041970
          69
 Energy    -248.15841058149974     
  O      0.19663286      2.51746758      3.16165403
  H     -0.65740174      2.65020464      3.58892552
  H     -2.36711035     -3.42170099      3.12613213
  O      0.61732279      3.18469419      0.55293956
  H      0.63231022      1.79626770      3.63152510
  H     -2.07784051     -0.96636190     -0.98633028
  O     -2.60996334     -1.63871568      3.74391296
  H      0.48518433      2.95030168      1.48858313
  H     -2.10356736     -2.35872976     -0.27500448
  O      2.78777457     -3.52681997     -1.33891897
  H      0.99815632      4.05906043      0.54148786
  H     -0.43027005     -3.98227478     -1.58766986
  O      0.02181815     -1.61468372     -3.86419318
  H     -2.88415718     -0.96875496      4.38775095
  H      1.03114430     -3.92776000     -2.07092683
  O      2.47051161     -1.08453396     -2.46196492
  H     -2.09822227     -1.17963752      3.06052786
  H     -1.69670960      0.56935208      1.80587557
  O     -3.16049692      1.81950395      1.75948518
  H      3.59133678     -3.93109788     -1.65461345
  H     -1.65661990     -0.74654527      1.00422802
  O     -0.93849517      0.13140173     -1.89632180
  H      2.74968076     -2.63479481     -1.72942959
  H      1.57190007     -2.34509274      1.36596431
  O      1.48539420      0.76314255     -0.58771798
  H     -0.01678103     -2.45858878     -3.37877388
  H      2.04838550     -3.41961002      0.33921034
  O     -4.45657491     -0.62134376      1.54504144
  H     -0.20171959     -1.80688252     -4.77060444
  H     -0.89037769     -1.83712891      4.64927620
  O      0.73760867     -4.31922603      3.56588880
  H      1.71998981     -1.17390505     -3.06240905
  H      0.34739717     -2.73877791      4.51575739
  O     -2.03038990     -4.22817048      2.71477430
  H      2.25133882     -0.35720681     -1.86415087
  H      0.47828580     -0.50509852      1.77792776
  O     -2.56226355     -1.51000700     -0.34948452
  H     -2.85435519      2.10435171      0.88554098
  H      1.72161232     -0.30539811      2.66377963
  O      0.11730733     -3.88639599     -2.37795151
  H     -3.74165097      1.05242199      1.65479597
  H     -2.84571936      3.70201992      4.26307908
  O     -1.23605752     -0.27511111      1.73769409
  H     -0.69510441     -0.38866384     -2.67226663
  H     -2.79167025      2.51923316      3.26567935
  O      1.52912556     -3.28686552      1.14190728
  H     -0.11431765      0.31632653     -1.42434581
  H     -2.90710125      1.29637372      5.08078201
  O      0.04458840     -1.89549770      4.87541162
  H      1.28608388      1.66317897     -0.30197820
  H     -3.44676506      0.60668091      6.34516337
  O      1.44340724     -0.62554942      1.79905697
  H      1.58593592      0.24959127      0.22655382
  H      2.16436432      0.42402301      5.14802039
  O     -2.48123469      2.82969439      4.13767583
  H     -3.97528869     -0.99808259      0.79362277
  H      0.98750736     -0.44815771      4.65301574
  O     -3.13751528      0.43527218      5.45890936
  H     -4.15607123     -1.11149821      2.31601118
  H     -1.55607657     -4.05572681      0.96982224
  O      1.53761013      0.32626795      4.43636164
  H      1.21966043     -5.10807537      3.80114083
  H     -0.18548440     -3.58150463      0.45849984
  O     -1.08318822     -3.79018924      0.16760097
  H      1.08159777     -4.02703166      2.70522050
  H     -1.71050457      1.72178417     -1.16126130
  O     -1.91940974      2.46302902     -0.57906880
  H     -1.16128163     -4.37635385      3.10697271
  H     -1.07143461      2.79856573     -0.26169988
          69
 Energy    -248.15832567068367     
  O     10.72168100      9.50016060    -14.76841948
  H     10.53881466     10.34780214    -14.34667212
  H     17.07629241      7.06211546    -14.23111956
  O     15.60384150      7.08874960    -10.94151946
  H     11.05147371      9.67950533    -15.65728801
  H     18.95025139      8.54960043    -15.28612883
  O     16.09144304     12.14690696    -14.27530899
  H     16.03770030      6.37107280    -10.48620903
  H     18.65991344      9.79026981    -14.41602362
  O     11.78118560      9.88168023    -17.44474187
  H     15.97606702      7.11458998    -11.83820765
  H     15.22550939     10.27648826    -10.69110993
  O     13.79776534     10.61819390    -13.97220754
  H     16.64690183     11.48434325    -13.83931279
  H     16.01701025      8.97726781    -10.54146060
  O     14.28353014     14.02466659    -13.33466774
  H     16.04497248     11.92005865    -15.21613026
  H     16.67060422     11.06134336    -17.23806725
  O     12.81222660      7.83772943    -10.94277386
  H     12.23838196     10.73242641    -17.57265110
  H     15.31669952     10.38710160    -16.90227782
  O     12.40030632     12.87543113    -15.10164854
  H     11.20428028      9.76765358    -18.19610341
  H     10.89045470     12.32719685    -12.76362963
  O     16.97540318      7.89478991    -17.78070753
  H     13.17722499     11.21199643    -14.40827019
  H      9.42235201     12.37356509    -13.24590935
  O     13.41454707     10.50490218    -11.18705827
  H     14.65607720     11.05914141    -14.02069145
  H     10.85910770      6.58619726    -13.57070988
  O     18.21787850      6.78891552    -15.64400476
  H     14.99598368     13.42342471    -13.60882726
  H     11.19372090      8.05885649    -13.90294832
  O     16.48614378      7.37769344    -13.53639427
  H     14.68171193     14.88550398    -13.23039927
  H     14.15397828     12.00967021    -17.50948939
  O     19.10469866      9.50034550    -15.22270392
  H     13.70690412      7.47485825    -10.96268162
  H     12.90030960     12.54997816    -16.79222843
  O     16.12549492      9.93330960    -10.60964377
  H     12.37720176      7.56792095    -11.76011782
  H     17.06294987     10.13639039    -12.13752287
  O     15.79043387     11.23061100    -16.87879733
  H     12.97738173     13.39420612    -14.52582843
  H     17.06648104      9.13218203    -13.29265129
  O     10.28925641     12.05259028    -13.47981888
  H     11.57068863     12.73086677    -14.62941976
  H     13.50093792      9.06532653    -17.35566933
  O     11.53596322      7.25117223    -13.47830991
  H     17.44011200      8.72984838    -17.91666511
  H     14.28930541      8.37314452    -16.23235260
  O     13.21014216     12.17127337    -17.62925583
  H     16.04079719      8.11914139    -17.67890230
  H     12.87858301     13.35736230    -12.09532277
  O     17.35699199     10.02257421    -13.05368018
  H     13.10783478      9.61063038    -10.97842576
  H     12.54205620     12.07870881    -11.30964040
  O     14.38663043      8.77676739    -17.10698878
  H     13.52804885     10.53079718    -12.14747089
  H     19.08042422     10.78914132    -18.13652246
  O     12.14865404     12.88210949    -11.68372411
  H     17.75352735      7.10980598    -16.43816728
  H     18.67475148     10.15774071    -16.78170016
  O     18.34320461     10.41732503    -17.66053713
  H     18.72620801      6.02773368    -15.91027249
  H     13.20050634      7.53113572    -14.20330478
  O     14.01059862      7.95344918    -14.51214927
  H     15.60904852      7.51129760    -13.92819005
  H     13.91896001      8.89775549    -14.30429482
          69
 Energy    -248.15831334915973     
  O     19.50996727     10.79087127    -17.33316903
  H     19.79737418     10.05076550    -17.86138911
  H     17.45375927     13.31353308    -21.09972748
  O     17.66971699     18.33022164    -15.55700806
  H     20.29699895     11.34318249    -17.17708175
  H     20.67624536     14.98478433    -16.81475890
  O     22.61858528     12.74953293    -14.19183576
  H     18.61485073     18.30255295    -15.35546930
  H     20.76278742     15.28710130    -18.33038161
  O     15.95532219     14.43421172    -14.28599289
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  H     22.73601271     13.70705558    -14.05452578
  H     22.13653798     15.85819277    -13.25699187
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  H     23.32770017     12.31510496    -13.72591381
  H     18.47923015     13.29492923    -12.70199381
  O     15.84096623     11.90110842    -15.67489725
  H     16.51125647     14.04973715    -13.59361117
  H     17.26837016     12.53096417    -12.11909712
  O     21.67433120     12.33948402    -16.87058087
  H     15.87417385     15.37101536    -14.06381097
  H     18.72056547     10.67743873    -15.61565840
  O     22.67707926     16.97099303    -16.24140913
  H     18.06197145     11.85863081    -17.81162300
  H     18.88460089     11.62666430    -14.41817686
  O     16.17008595     17.16565597    -13.63314235
  H     16.62557342     12.14226562    -17.29446824
  H     17.17919342     16.38852155    -17.71540554
  O     19.85806135     13.02565463    -13.81210563
  H     15.92938283     10.45386243    -12.67215651
  H     16.62411357     17.38714983    -18.75488348
  O     17.78945997     13.76978734    -20.33210247
  H     17.35950217     10.61947859    -13.19572840
  H     21.11028701     17.34945677    -11.50749033
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  H     15.66262519     12.70986720    -15.18071524
  H     19.93724161     16.58544545    -12.16017807
  O     22.77716797     15.42203584    -13.83215452
  H     16.65329792     11.53805941    -15.29443934
  H     21.14400032     17.68490706    -15.39735859
  O     17.62471002     13.41769941    -12.26073965
  H     21.65289390     13.23156879    -17.24165959
  H     20.53499467     17.63697880    -13.96774785
  O     18.34253143     10.89882917    -14.75696861
  H     22.05956270     12.42353331    -15.99047597
  H     18.03377540     15.19703099    -11.91182813
  O     17.35597053     17.23603259    -18.16070344
  H     23.34739759     17.40018239    -16.76623888
  H     17.57577233     16.54891129    -12.49039773
  O     20.84776172     16.89973786    -12.30654922
  H     22.27187179     16.28890989    -16.80502476
  H     19.65945871     16.07986707    -15.22329815
  O     20.32781143     17.80850076    -14.89671407
  H     15.53043998     17.79981262    -13.31992250
  H     18.63896835     15.12948751    -15.92950191
  O     18.28230732     16.12780663    -11.98721585
  H     16.67908947     17.60639064    -14.33678739
  H     18.97069312     15.09603892    -19.85128304
  O     19.49009713     15.16396441    -15.47309111
  H     20.80083349     12.82755647    -13.81358654
  H     18.88612623     16.42641175    -19.08589510
  O     19.51177867     15.80081353    -19.46750623
  H     19.73587235     13.79153718    -14.39416832
  H     16.60809390     14.72700876    -15.94347493
  O     17.06822461     14.89864022    -16.77705284
  H     17.53862366     13.22663670    -19.56916106
  H     17.16820079     14.05494977    -17.23673971
          69
 Energy    -248.15816819108761     
  O     16.88332473      6.62819564    -14.08773757
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  H     19.99054146     10.74237407    -15.26864723
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  H     16.47109599      6.15031731    -13.35445241
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  H     17.26473188      9.98098810    -10.51374238
  H     14.12407875      8.11613070    -14.59225016
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  H     16.07207498     10.13768987    -11.49386798
  H     10.80488015      6.75620934    -12.71009457
  O     15.69081539      7.20885464     -8.81018847
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  H     11.97909776      7.00329282    -13.68050559
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  H     15.04011654     10.18009496    -14.92716389
  H     19.02222299      7.55620183    -11.39020219
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  H     18.69121959      7.88609409     -9.92036463
  O     15.78785309      8.29613153    -18.23111733
  H     13.53379350      4.58653815    -15.16225943
  H     14.21331130      4.61670934    -12.92543120
  O     17.35614180      5.12475398     -9.87683573
  H     16.17379303      6.40795315     -9.05003899
  H     12.74721305      5.03207924    -13.13204548
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  H     14.92148973      7.24551170     -9.39242400
  H     17.29751273     11.42773528    -12.82243939
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  H     16.56889609     11.71779917    -14.15319374
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  H     18.91171989      9.01450359    -13.71867248
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  H     13.94879196     10.70636893    -12.18138781
  H     18.01904110      9.09308060    -12.45510718
  O     11.75095163      6.66633882    -12.79791455
  H     14.51535472      9.35054968    -12.67097847
  H     17.78491874      9.47801272     -8.04286950
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  H     15.90569077      7.49821113    -17.68532137
  H     16.88113475      8.49052989     -8.82019099
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  H     15.92460450      8.03158681    -19.13708758
  H     13.73521714     10.11796163    -16.60561759
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  H     18.01216284      5.80212044    -10.12280834
  H     14.16221845      8.99005424    -17.55006912
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  H     17.83742551      4.40046811     -9.48702496
  H     13.91621103      8.30549161    -11.10128594
  O     17.61303719      9.12685199     -8.91225689
  H     17.83244815     10.31172613    -16.53791925
  H     12.99558555      7.11251647    -11.42609788
  O     13.40001350      9.34691847    -17.07348197
  H     16.74905192      9.74167076    -17.49685457
  H     13.99705240     11.89627676    -14.05581841
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  H     13.55011320     13.09869495    -13.21037441
  O     13.53180937     12.14503513    -13.24170991
  H     16.43188710      6.21904199    -15.81157970
  H     12.87482033      6.54180542    -15.71598833
  O     12.60320170      7.38575055    -15.33147437
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  H     12.72383201      8.07131255    -16.00613710
          69
 Energy    -248.15809762028229     
  O     13.71350488     13.11886811    -14.77879570
  H     14.33667595     13.40695481    -15.45553290
  H     18.40062253     10.64959344    -15.50913909
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  H     14.43841569      7.95113170    -17.97226308
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  H     16.74380880      6.57015524    -12.82691631
  H     16.22998058     11.71576991    -13.38060927
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  H     18.70791481     11.05451327    -11.97322612
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  H     13.96880537     13.36046606    -13.04626904
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  H     14.50199384      9.96270858    -13.51038861
          69
 Energy    -248.15799829162864     
  O     -4.10613795      0.89127985      0.61470363
  H     -4.79622974      1.36556155      0.15925659
  H      1.86153361     -1.41527160      2.77361423
  O     -3.36985696      0.97776031      3.34841755
  H     -4.25876245     -0.05659843      0.44655814
  H     -1.39619287     -2.38151914      0.56967621
  O      1.19910863     -1.99367592      5.95952826
  H     -3.74562082      0.99912371      2.46027236
  H     -0.13046440     -2.57393574      1.47651398
  O     -4.22021039     -4.71447333      6.31808165
  H     -2.43674485      0.75627961      3.22597259
  H     -3.40654955     -4.40999650      2.20003609
  O     -1.45331118     -1.51683681      5.25508393
  H      1.43500565     -1.67638561      6.82816400
  H     -1.99216404     -3.78363757      2.09020365
  O      0.97394612     -4.65351127      4.92868038
  H      0.25448693     -1.80165159      5.84165023
  H      1.74867878     -2.73047189      0.56955177
  O     -5.24952182     -2.84099275      4.53637175
  H     -4.26607559     -5.54140319      6.79067058
  H      1.82285379     -3.69093496      1.80659689
  O     -1.29379702      0.94482992      0.21133926
  H     -3.32531964     -4.66874089      5.94507488
  H     -5.20054439     -3.38013653      2.90878991
  O      1.81786453     -5.42284041      2.48602526
  H     -1.22334826     -1.04392125      4.44474114
  H     -5.91151366     -4.25928387      1.85364601
  O     -0.44021800     -4.78408063     -1.60170755
  H     -2.32773243     -1.19602248      5.51086219
  H      0.89142274     -3.41300833     -1.41204656
  O     -0.47530490     -5.88552120      0.86004668
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  H      0.96058083     -1.87211427     -1.44567916
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  H      0.13358703     -0.12026481      3.07170076
  O     -1.08139287     -2.39143019      1.48226072
  H     -5.00292703     -3.50753735      5.19342233
  H     -1.03078080     -0.86882187      2.35453025
  O     -2.47036781     -4.58607310      2.35332558
  H     -4.89833867     -2.00381270      4.85913483
  H     -0.59911588      0.08347987     -1.12737797
  O      1.67237914     -2.77752768      1.53485197
  H     -0.97606809      0.77488339      1.10450049
  H     -0.14656520      0.11332089     -2.60488516
  O     -5.12359792     -3.74466139      2.00785164
  H     -2.25544636      1.00512429      0.28395670
  H     -1.60011158     -3.36366790     -1.38647910
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  H      1.53505601     -5.18587733      3.38783813
  H     -1.52434426     -1.81924606     -1.53667370
  O     -0.81447161     -0.07606840      2.87307266
  H      2.56531181     -6.00768241      2.57730977
  H     -4.45494478      0.09595689      6.18467438
  O     -0.29584457     -0.47234947     -1.86746915
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  H     -3.88047962      0.10790011      4.74602014
  O     -2.04810860     -2.53846489     -1.15804296
  H     -0.43222049     -5.47874772     -2.25428642
  H     -1.71451024     -3.35637394      5.09008092
  O     -4.03462774     -0.45313827      5.52836568
  H     -1.22334234     -5.58638500      1.39401813
  H     -2.06744827     -4.50087909      4.10095516
  O     -1.80459458     -4.31621362      5.01498994
  H      0.30755276     -5.80975056      1.41904001
  H     -3.67464653     -2.08851943     -0.39421198
  O     -4.41052194     -1.73367616      0.12217757
  H      1.75809411     -1.14325977      4.29328032
  H     -4.66555318     -2.41365710      0.75658168
          69
 Energy    -248.15786409682454     
  O     11.37495752     10.01408740    -12.89683927
  H     11.74799476     10.78888135    -12.46489685
  H     19.86060584     11.66816484    -14.81929338
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  H     14.41825606     13.30654633    -14.51249055
  O     17.40898284     10.39076345    -10.87297629
  H     16.49485154      6.92116289    -13.87521876
  H     14.98325237     12.27424446    -15.50088820
  O     15.10503777     14.18981323    -12.89381636
  H     16.15058474      8.36728479    -14.24850001
  H     15.58133738     10.35361294    -14.47887311
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  H     14.16850370      9.74373177    -14.34133891
  O     16.23981557      6.60814701     -9.25822878
  H     17.69925516      9.84678684    -10.13064943
  H     10.83322258      7.01011496    -12.10710977
  O     15.48880578      5.83992428    -12.78170491
  H     15.31582354     15.10798124    -12.74892293
  H     11.53389087      8.33916097    -12.47426085
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  H     15.92326481     13.68789323    -12.72995365
  H     19.29399156      7.77780796    -11.87423392
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  H     19.07028185      7.60174447    -10.36242468
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  H     15.41984820      6.85847762     -9.70441321
  H     12.72179586      6.86099074    -13.83090317
  O     18.97271875     11.50431922    -14.51240845
  H     16.64907760      5.93226751     -9.81232991
  H     17.42449041     12.02846501    -11.80762820
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  H     17.95557530     12.46408744    -13.18199445
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  H     18.11225940      8.62774846    -13.52713896
  O     11.68310680      7.39031942    -12.31337621
  H     14.90486750      9.90769685    -12.23789790
  H     18.23830230      9.59524946    -12.30092633
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  H     14.12533822     10.88589461    -11.37000923
  H     18.42255805      8.55286574     -8.02134862
  O     13.36126239      6.63689229    -14.51775514
  H     18.12553434      4.17087025    -11.07594799
  H     17.42761271      7.85144080     -8.97747879
  O     17.36421429     12.72992386    -12.46880164
  H     18.27781617      5.70177396    -11.23476381
  H     14.31296900      8.39104118    -10.94491737
  O     18.72252474      9.20553824    -13.04445744
  H     16.48033514     10.45382402    -16.33360854
  H     13.23088314      7.34042217    -11.27117521
  O     18.15049638      8.50344391     -8.93363874
  H     17.36982899     11.40534961    -15.46832321
  H     13.30560611     12.02755937    -13.27010307
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  H     16.65978539      8.23479974    -16.19932084
  H     13.69973854     13.02979759    -12.21916097
  O     13.15983188     12.23834874    -12.33963949
  H     15.38581637      8.52884152    -17.00291817
  H     12.88585387      9.66124641    -16.01612387
  O     12.63555760     10.29881562    -15.33537568
  H     18.99324265     10.65979669    -14.03028063
  H     13.07399596     11.14394829    -15.50909071
          69
 Energy    -248.15781014996020     
  O     11.81479986     10.89381089    -15.35494335
  H     12.15366608     11.65818182    -14.87333998
  H     18.65859091      8.85414257    -12.97648419
  O     15.56532894      6.60431591    -13.83428909
  H     11.29468953     10.37439687    -14.73013199
  H     15.38823270     12.64011063    -16.35226798
  O     15.89227200     10.01967828    -10.59671538
  H     14.76704203      6.63828420    -13.29014663
  H     16.11362014     12.58725175    -14.99460755
  O     17.29724966     11.32054169    -14.31182895
  H     16.28412349      6.31643813    -13.25914496
  H     15.52025515      8.41613848    -14.28335775
  O     13.36561547      6.91373040    -16.97918798
  H     15.32803201     10.39646893    -11.28872106
  H     14.85794996      9.40991717    -15.29342011
  O     13.83219076      9.00245851     -9.02445092
  H     15.29376206      9.84567213     -9.85743879
  H      9.47625213      8.92833762    -13.67983000
  O     13.43063468      6.82123348    -12.11229864
  H     17.73138496     11.18359654    -13.46372352
  H     10.87680929      8.34501357    -13.98289533
  O     14.11379179     10.82156175    -12.52927351
  H     16.65187198     10.60002993    -14.39809723
  H     16.37684039      6.67395372    -10.83917890
  O     17.93819381     10.60119836    -16.92734916
  H     14.32011577      6.73576248    -16.89683875
  H     15.80089386      8.08322529    -10.59589368
  O     18.42807048      8.02661014    -16.25617982
  H     13.03804231      6.34113695    -17.66783123
  H     12.40236594      6.92592936    -15.29591128
  O     15.99579108      6.51837636    -16.53078541
  H     13.12465890      9.07139874     -9.67970027
  H     12.40936077      6.74401833    -13.75133027
  O     18.77811685      7.99138306    -13.38986919
  H     14.21955163      8.13018218     -9.15423315
  H     17.49289352     10.25838889    -11.33843792
  O     15.39124951     13.02306575    -15.46705812
  H     14.15168030      6.77879256    -11.46769771
  H     18.96277142     10.72011573    -11.24263614
  O     15.37173348      9.34895372    -14.47735636
  H     12.93206526      7.61581823    -11.87583687
  H     18.14540042      6.68072189    -12.48942665
  O     10.40881102      9.11736475    -13.61563106
  H     13.78195282     11.63419654    -12.92795914
  H     18.22931460      5.21742141    -11.98417570
  O     15.63090626      7.14347427    -10.44573990
  H     14.48660249     10.28155563    -13.24203001
  H     15.10045856     11.75870539    -18.76873240
  O     11.86369549      7.01106870    -14.50141039
  H     17.88313793     10.97231854    -16.03528067
  H     14.81522236     10.83175780    -17.56432794
  O     18.30818314     10.38702893    -11.85174808
  H     17.14651028     10.90804861    -17.38486180
  H     11.43187288      9.22982365    -12.01443136
  O     17.65126552      5.97334060    -12.03512485
  H     18.25272372      8.93710134    -16.55141163
  H     12.82991336      9.82490100    -11.76174581
  O     15.41777568     11.51663395    -17.90260999
  H     19.21400030      7.74208405    -16.71726876
  H     13.94334801     13.08312194    -14.53985893
  O     12.17237343      9.21337289    -11.39632631
  H     16.80923945      7.03264044    -16.57851815
  H     12.88532600     13.89463344    -13.75122120
  O     13.14954720     13.00774079    -13.97873756
  H     15.84560085      6.38456057    -15.58209824
  H     13.55202677      8.74542189    -16.93819397
  O     13.77934200      9.66509383    -16.75813795
  H     18.64051949      8.09026416    -14.33955192
  H     13.02795366     10.08680823    -16.31005446
          69
 Energy    -248.15779839479342     
  O     12.31866842     10.70038867    -15.00323658
  H     12.83539647     11.28380596    -14.43516424
  H     20.06843753      7.61219488    -13.29525163
  O     15.72176101      5.93973979    -14.22506173
  H     12.91666274     10.38045525    -15.69150894
  H     16.77573146     12.74709609    -14.91669457
  O     18.53367530     12.24919736    -14.54814817
  H     14.85416778      5.66474793    -13.90351624
  H     15.75267258     12.55981304    -16.05484852
  O     13.68560344      6.97468105    -17.62204333
  H     16.28361149      6.02578265    -13.44317150
  H     15.55610990      7.73053724    -14.51417483
  O     13.82980809      6.79176688     -9.55955387
  H     18.38377689     11.57251699    -13.86415747
  H     16.61249784      8.72751615    -15.00907378
  O     13.32726935      5.38507370    -12.94254757
  H     19.24467111     12.80303475    -14.23723983
  H     10.07721715      8.77456099    -13.90078106
  O     15.09510708      9.91035231    -12.31918367
  H     13.26215361      6.52663794    -18.34960302
  H     11.42732575      9.39251986    -14.34566238
  O     18.26061310     10.68678675    -16.91461307
  H     13.18368554      6.73752585    -16.82140145
  H     11.77976594      7.17440623    -14.95967074
  O     15.16287494      4.57705078    -10.92915961
  H     13.34647181      7.19125290    -10.29503284
  H     12.54898002      5.89093598    -14.61493827
  O     18.21424315      8.19624554    -15.81534708
  H     14.18070263      5.95993766     -9.89938397
  H     17.10341539     10.22641585    -12.41185851
  O     16.45544060      6.35420379    -16.89880661
  H     13.82450105      4.92100443    -12.25787170
  H     18.38905044      9.45003093    -12.77857744
  O     19.12277807      7.73921012    -13.29721938
  H     13.17940296      6.28004422    -12.59949912
  H     17.93199760      6.68439408    -12.29708577
  O     15.84557914     12.86848086    -15.14562771
  H     15.31797147      9.48151172    -13.16224099
  H     16.82801300      6.99899651    -11.26018134
  O     15.71939979      8.67502832    -14.64493837
  H     14.70008824     10.76431026    -12.53499836
  H     15.35130983      7.81728985     -9.83825760
  O     11.01278582      8.60071953    -13.95760514
  H     18.44944358     11.26116339    -16.16117013
  H     15.74611281      8.92673556    -10.83634331
  O     12.27955330      6.44910851    -15.35434733
  H     17.44195408     11.01926355    -17.30093169
  H     15.12179919     10.91015334    -17.45976794
  O     18.01222626     10.33529891    -12.70762637
  H     15.50419715      3.77893757    -10.53276753
  H     15.36146172     11.97500293    -18.55628754
  O     17.16002708      6.30838224    -11.85795071
  H     15.93347657      5.09259090    -11.21718635
  H     13.61689927      8.66331471    -12.08755118
  O     16.11080402      8.24501189    -10.25971149
  H     17.69932215      7.56289053    -16.33691190
  H     12.20842570      8.24867372    -12.59066626
  O     15.68380126     11.66118230    -17.71540699
  H     18.31049868      9.02082577    -16.31417255
  H     13.69754030     13.08152713    -12.87498636
  O     12.93168704      7.99037807    -12.00438145
  H     16.26006702      6.01605708    -16.01258555
  H     14.65498619     12.53500613    -13.96294303
  O     13.98407533     12.27932744    -13.30330764
  H     15.59405186      6.56408084    -17.27534835
  H     13.96713897      8.74918187    -17.20653105
  O     14.20868037      9.57042656    -16.76070082
  H     18.85866978      7.85117602    -14.22772431
  H     14.73485227      9.30415189    -15.99099430
          69
 Energy    -248.15766646336237     
  O     13.66909818     11.14859033    -15.80752931
  H     14.06525974     11.34663026    -14.94898493
  H     14.65048713      7.42060009    -10.40971962
  O     13.66905263      5.01317420    -16.01757577
  H     14.22665688     10.46575876    -16.20723960
  H     14.21199175      9.45162579    -13.38512742
  O     13.17174282      7.03672591    -11.39613522
  H     13.23437612      5.87465345    -16.00047125
  H     14.99550868      8.19647327    -13.83490896
  O     16.50199893      5.03724369    -10.40273541
  H     13.17821300      4.45841304    -15.39760433
  H     15.70115778      8.53076237    -16.07837053
  O     12.46275317      3.64531260    -13.78906531
  H     12.21759668      7.15441528    -11.34806343
  H     14.27163872      8.30590316    -16.59111040
  O     11.21866132     10.07858956    -15.48591486
  H     13.48761572      7.59838491    -12.12275005
  H      9.61292645      7.17913414    -11.26864863
  O     15.21551347     10.39247497     -9.75507670
  H     17.38157306      5.17775827    -10.76978011
  H     10.46300225      6.87973476    -12.52913655
  O     19.00567903      5.76331960    -11.68972067
  H     16.21378099      5.90181713    -10.07785123
  H     10.83059632      9.17813247    -12.31562125
  O     12.53013807      7.60168713    -15.52645334
  H     13.15700557      3.90529669    -13.16048750
  H     11.12300814     10.04990791    -13.56449998
  O     18.56861113      4.43217019    -14.02380815
  H     12.30825650      2.71339396    -13.65677536
  H     13.90066621      5.46471536    -11.88673402
  O     15.92327668      5.02971610    -14.46607104
  H     10.57480976     10.52273650    -16.03080360
  H     15.13972955      4.62079940    -11.50572125
  O     15.51373206      7.66941245    -10.05117259
  H     12.07052709     10.53157249    -15.63072987
  H     11.32331181      6.48804754    -14.55783325
  O     14.15093386      8.49248196    -13.46894957
  H     15.89343613     10.69648160    -10.37023013
  H     11.27364063      5.10791062    -13.86994664
  O     15.04342357      8.86969220    -16.69973849
  H     14.37650793     10.71479184    -10.10697569
  H     12.22255378     10.93855820    -11.57631051
  O     10.40031827      7.44317097    -11.73636236
  H     18.91088886      5.27219837    -12.52417411
  H     12.39511863     12.19365710    -10.69209907
  O     11.15088665     10.04263901    -12.60072431
  H     19.84506967      5.51000712    -11.31430411
  H     16.42164889      6.77072120    -14.58238070
  O     14.40642278      4.67726129    -12.13538786
  H     11.96115187      8.36430115    -15.69210067
  H     17.01402937      7.90731858    -13.70968856
  O     10.80948003      5.95108963    -13.94198317
  H     13.09404417      7.86945171    -14.78374325
  H     14.06991026     11.46144462    -12.46436930
  O     12.87113410     11.45685233    -11.06668014
  H     17.63117157      4.55565516    -14.24472561
  H     15.55835958     11.18828416    -12.82034599
  O     16.56540580      7.72735826    -14.54614347
  H     18.99069494      4.13387848    -14.82538238
  H     17.95958402     11.34728210    -11.89446234
  O     14.66957194     11.24874037    -13.19200762
  H     15.46086237      4.91751173    -13.62448281
  H     17.37459601      9.91775228    -11.92479615
  O     17.13993410     10.85931355    -11.87938075
  H     15.24365110      4.98853426    -15.15403409
  H     18.14446286      7.39943220    -11.84094865
  O     17.52012839      8.12961888    -11.93409083
  H     15.42778983      8.59389335     -9.77773992
  H     16.79305748      7.94914274    -11.31874522
          69
 Energy    -248.15753155763235     
  O     16.26517108     11.81070581    -12.20289190
  H     16.89333830     11.08215697    -12.13664871
  H     13.00981767     12.19206815     -9.82237788
  O     18.38828226      7.56949902     -8.44314189
  H     16.16396691     12.14044683    -11.30180306
  H     13.78318569      8.82190872    -15.50977927
  O     15.95127334      5.93354951    -11.29185527
  H     18.58738517      7.29512699     -9.34601859
  H     14.26276778      8.70190355    -14.04682702
  O     12.63082532      4.89429681     -9.84574514
  H     17.93564240      8.42017564     -8.51486364
  H     19.18500514      6.13742682    -11.59427001
  O     16.95090518      5.60608262     -7.20810367
  H     15.61811519      6.05588793    -10.39224826
  H     17.69582301      6.38585180    -11.26163337
  O     17.63650816      9.40856276    -11.58045322
  H     15.40236972      5.24821186    -11.69773231
  H     15.49396658      5.85765841     -8.15804324
  O     16.05509776     12.51138077     -9.40491336
  H     13.38506890      5.29741109     -9.38020106
  H     14.57558112      7.06251471     -8.53457224
  O     10.33845655      9.33621110     -9.49728856
  H     12.15849081      4.36988038     -9.20411643
  H     11.48261617     11.47528624    -11.63747389
  O     16.78641733      9.85248096     -8.94755944
  H     17.52141067      6.30046030     -7.58151872
  H     12.87449105     11.83407697    -12.26373843
  O     13.57510374      9.18305601    -10.95566112
  H     17.35305866      5.34767698     -6.38387690
  H     11.11584139      8.05417697    -12.65323929
  O     11.57621879      7.28208792    -11.00384755
  H     18.14506435      8.58961373    -11.55423498
  H     11.80992841      8.80651469    -13.81654301
  O     13.40737952     12.29069230     -8.94391675
  H     17.33901824      9.56657008    -10.67150791
  H      9.05579526     11.07150043    -12.40706813
  O     13.54974893      9.04366702    -14.61110838
  H     16.35457620     13.36093157     -9.09248795
  H     10.17149653     10.00695172    -12.53893540
  O     18.58725472      6.76844750    -11.20160366
  H     15.10340884     12.45809502     -9.20267779
  H     11.46438123     10.36088041     -6.72326756
  O     14.77896145      6.14074291     -8.74688778
  H     10.64674268      8.52065558     -9.91338051
  H     11.37096514      9.92393106     -8.20203593
  O     12.40256022     11.67553788    -11.43105987
  H     10.04280840      9.89118786    -10.22865485
  H     13.45629133      4.33370333    -11.41610954
  O     10.96352864      8.68564728    -13.36984801
  H     15.94574646      9.47966857     -8.64893680
  H     13.43767826      4.09811354    -12.93382075
  O      9.82186657     10.71413703    -11.96696892
  H     16.64353264     10.80543430     -9.02063917
  H     14.78488095     11.80981924    -13.25387560
  O     11.98594465     10.22541924     -7.50974503
  H     13.19552416     10.05203743    -11.14292451
  H     13.82378303     10.91642160    -14.09095393
  O     14.02525625      4.18254586    -12.18619383
  H     14.24110039      8.98234257    -11.62251040
  H     14.04763808      8.97555635     -9.30302054
  O     13.91012226     11.77926313    -13.67267270
  H     12.31982408      7.90534342    -10.97042593
  H     13.54890791      9.24046558     -7.87227487
  O     14.25515439      8.81105247     -8.36782114
  H     11.88121932      6.44948427    -10.63009786
  H     16.20956620      8.75715169    -12.50888253
  O     15.44747335      8.23601979    -12.79716654
  H     12.93937025     11.67187688     -8.37388064
  H     15.53785609      7.37881100    -12.36057564
          69
 Energy    -248.15749798834258     
  O     12.93043195     12.93950020    -15.75020611
  H     12.35290733     12.37465675    -15.21444951
  H     13.98312507      6.85948108    -18.54915333
  O     14.93212979      7.41330064    -13.63194875
  H     13.64136369     13.23752040    -15.17411572
  H     18.59412615      9.39845437    -12.85718558
  O     16.43897802     10.71202666    -10.83479433
  H     14.92946600      8.27134209    -14.08366577
  H     17.81297838      8.13156502    -12.44945092
  O     17.49801034     12.40161403    -14.46270818
  H     15.46714191      7.52285130    -12.83448954
  H     16.59726038     10.36516995    -17.22877475
  O     12.61502272      9.41918706    -16.50458122
  H     15.72443279     10.93871027    -11.45017147
  H     17.60745659      9.63468490    -16.27947149
  O     12.65829133      9.67588932     -9.09250756
  H     17.26925332     10.95159270    -11.26388048
  H     14.07689214      9.79203880    -15.44509560
  O     12.44112249      7.18423261    -12.56047704
  H     17.38927177     11.80890524    -15.21980274
  H     15.61892226     10.06737158    -15.40396912
  O     14.40175128     11.24562773    -12.58202910
  H     16.67333403     12.88995239    -14.36246431
  H     11.50619461     10.65561067    -13.54819676
  O     15.96022377      6.62935362    -16.11414057
  H     12.65135467     10.17001040    -17.11450444
  H     11.65348599     10.30652530    -15.04956164
  O     13.90192222      7.25124166    -10.07610578
  H     13.02514041      8.67820127    -16.96978097
  H     18.29797058     11.67837559    -13.13507830
  O     18.41241219      8.02889498    -15.77051498
  H     12.06948325      9.74013894     -8.34465171
  H     19.54581679     11.66075632    -12.21910759
  O     14.16810810      7.54898835    -17.91729644
  H     13.48840251     10.11070808     -8.83224627
  H     16.37263839      8.86971258    -11.07349233
  O     18.42992731      8.47984000    -13.10418692
  H     11.89006319      6.55701459    -13.02083980
  H     15.57029738      7.59039357    -10.75285432
  O     17.08822647     10.44008975    -16.39617880
  H     13.29848967      7.19789330    -13.01998200
  H     15.67475259     10.73799075     -7.71879628
  O     14.84644546      9.85493381    -14.86528942
  H     13.56969167     10.86871239    -12.27083598
  H     15.62341210     10.79464920     -9.25426432
  O     11.40429412     11.01127115    -14.43804023
  H     14.61047909     10.78393227    -13.40996345
  H     14.66373874     10.70969510    -18.46567957
  O     18.71129373     11.22769147    -12.37557237
  H     15.60215395      6.70712569    -15.21969206
  H     15.01916231      9.21072641    -18.41979181
  O     16.31678099      7.92511277    -11.27094244
  H     16.83486657      7.03546759    -16.07682605
  H     12.16680597      9.89148364    -10.89243715
  O     15.07063171     10.77676619     -8.45603568
  H     13.33746697      7.06653845    -10.83669467
  H     12.15246469      8.96603365    -12.12726607
  O     15.40377695     10.09068522    -18.51432575
  H     13.49313502      8.00753040     -9.63898745
  H     14.71707227     12.84419854    -13.29709653
  O     12.08479946      9.89154395    -11.85465169
  H     19.27610775      7.71556416    -16.02579780
  H     14.85495766     14.38409022    -13.29221044
  O     14.96901716     13.61075781    -13.83982904
  H     18.43246157      8.14905541    -14.80370806
  H     12.54372292     12.15355121    -18.75247027
  O     13.07567011     11.68503089    -18.11524406
  H     14.82049269      7.18596522    -17.29198425
  H     13.06704592     12.21875993    -17.29909433
          69
 Energy    -248.15725766111717     
  O     12.57297780      9.67373190    -11.43256748
  H     12.02070132      9.16079234    -10.82512549
  H     13.95611981      8.55978482    -11.86763924
  O     13.39389519      6.50900600    -14.04102377
  H     12.09492303     10.47930948    -11.67845136
  H     14.45542115     15.74277267     -7.96942367
  O     11.22462510     11.92512857    -12.18615971
  H     12.99982894      5.74314929    -14.44974403
  H     14.59946101     15.00536719     -9.32333254
  O     14.44539825     10.76869785     -9.65279895
  H     12.79529806      7.25180677    -14.22190623
  H     11.36296721     13.03841113     -9.31622121
  O     13.72028764      7.04044182     -9.46389424
  H     11.94695458     12.38540384    -12.63389441
  H      9.90332952     12.58023218     -9.50444327
  O     13.42940782     15.73593965    -12.64664012
  H     10.96316496     12.44081563    -11.41144545
  H     11.97028952     11.03547513     -7.76204902
  O      8.64471875      8.92045940    -10.67533966
  H     13.79278238     10.38211662    -10.25385448
  H     12.50623611      9.64886993     -7.40151563
  O     13.48787907     13.02585726    -13.32033747
  H     14.54930622     10.14808571     -8.92073766
  H     14.14464452      8.14083966     -8.18633019
  O     15.44527439     14.78743009    -10.83509137
  H     12.77526494      7.20936669     -9.57727034
  H     14.85294678      8.55446992     -6.87241937
  O     11.12832487      8.22291736     -9.61548642
  H     14.13477963      7.17210539    -10.32522872
  H     15.96217377     11.40463397    -12.32804342
  O     11.87865482     15.62060496    -10.42702057
  H     12.80537731     15.73361829    -11.89821864
  H     15.32707250     11.67633469    -10.94702392
  O     14.65433043      7.91401637    -12.05027083
  H     13.29988144     16.55719772    -13.11266778
  H     12.51620166      9.48557854    -14.57749088
  O     14.01731770     15.12812783     -8.55172861
  H      7.78399193      8.52154517    -10.77133670
  H     12.02029570      9.02965004    -13.20331227
  O     10.56354929     13.20409704     -9.83752608
  H      8.89774689      9.25750232    -11.55308045
  H      9.96620857     10.73454986    -12.82883994
  O     11.69234209     10.11924248     -7.62354287
  H     14.22286490     12.72618518    -12.76668798
  H     10.10355051      9.45331880    -13.65678087
  O     14.28209842      8.87777995     -7.56391648
  H     13.44934647     13.98636773    -13.23265442
  H      9.82609577     10.68703309     -8.23905257
  O     15.63954628     12.11026991    -11.75403397
  H     14.89227025     15.18433067    -11.51994231
  H      8.89226955     10.36935517     -9.42357800
  O     11.91932137      8.85302451    -14.14680472
  H     15.67711011     13.90611841    -11.15428391
  H     13.65856244     11.56276195    -14.52623879
  O      9.51014383      9.90919277    -13.04930362
  H     11.23568426      8.85058385     -8.88571274
  H     14.65388503     10.39199666    -14.50599723
  O      9.14865998     11.06751219     -8.80884427
  H     10.22460464      8.31657868     -9.94448531
  H     15.73885149      9.10794351    -12.88681515
  O     13.82289498     10.68573593    -14.89639382
  H     12.51577714     15.57564376     -9.70356417
  H     16.95233922      9.47930442    -13.76586676
  O     16.16690525      9.83940223    -13.36054387
  H     11.25370683     14.89989276    -10.27323033
  H     13.45278610     12.04624555     -8.82564116
  O     12.82931481     12.60913789     -8.34527914
  H     14.30493528      7.31437242    -12.72821837
  H     13.24563941     13.47704195     -8.26877324
          69
 Energy    -248.15719881228964     
  O     -9.88554032      1.39993135      3.33136374
  H    -10.21534373      2.23494116      2.97525499
  H    -11.29731009      3.98736038      2.32387294
  O     -6.06825944      0.83956026      5.43169160
  H    -10.33978982      1.21211592      4.16298170
  H     -5.35744820      0.35576984      3.68873397
  O     -7.77380149     -1.25877975      4.37670896
  H     -6.56659398      1.50307043      4.92476042
  H     -6.14369435      0.29070693      2.36174956
  O     -7.97073134      4.46530378      6.14787134
  H     -6.53327712      0.76536928      6.27801956
  H    -10.63890320      0.04535903      6.04169906
  O    -13.13597804      2.62651026      5.27849324
  H     -7.13564976     -0.63973130      4.75404577
  H    -10.57102692      1.56767316      6.35381610
  O     -7.56989135      2.69574524      4.13883973
  H     -7.81526401     -1.04906976      3.43925707
  H    -12.35898245      5.46881085      4.23884154
  O     -7.87318773      0.69397430      7.52294637
  H     -7.82099327      3.79406679      5.46105219
  H    -10.98337655      6.04873215      4.60525037
  O     -9.82874079      2.86734875      7.38151856
  H     -7.14418112      4.95805681      6.20642545
  H    -13.09518940      3.50994199      3.77908399
  O    -12.15514831      4.49332084      7.22061849
  H    -12.53116455      1.88483128      5.41315205
  H    -13.86880874      4.13592038      2.59487778
  O     -6.71123002      6.43424783      3.26372358
  H    -12.95584431      3.23156928      6.00884164
  H     -8.68796372      0.48781993      2.37065645
  O     -3.97122806      2.66931026      2.22234543
  H     -8.36310947      2.23062706      3.84518624
  H     -7.96837120      0.90135112      1.10760798
  O    -10.34482631      3.89585245      2.18786513
  H     -7.17711052      3.15251669      3.38424074
  H     -8.47151771      6.15594060      3.63512839
  O     -5.25290518      0.36839562      2.72940293
  H     -8.43642488     -0.06209283      7.31771818
  H     -8.96213456      5.32064333      4.81725317
  O    -11.00210572      0.90432920      5.79398813
  H     -8.47510650      1.43592359      7.65385790
  H     -6.99148866      3.57941069      1.25879983
  O    -11.88774293      5.94495707      4.93212863
  H    -10.62803938      3.40133451      7.47320061
  H     -5.55069042      3.55918188      1.89037549
  O    -13.00849434      4.09383193      3.00358138
  H     -9.15294500      3.46960027      7.03584036
  H     -8.96584486     -1.43831134      5.65187798
  O     -7.94078946      0.23747928      1.80362574
  H    -12.03003624      5.08126356      6.45420175
  H     -9.68645725     -2.29755106      6.71805579
  O     -9.26466053      5.73953601      4.00054308
  H    -12.61720867      5.00165030      7.88212294
  H     -4.74933425      2.36429768      5.34373211
  O     -6.42384090      3.97121144      1.93372920
  H     -6.22304509      6.27048129      4.07968625
  H     -4.11456506      3.05467171      4.11883601
  O     -9.55527329     -1.39965550      6.42590084
  H     -6.54876336      5.66036960      2.70647866
  H     -8.73916971      2.98143554     -0.51569552
  O     -4.33178539      3.18161024      5.05033133
  H     -4.36435726      1.78378858      2.33232624
  H     -9.16640232      3.20270172      0.94782131
  O     -8.47396013      2.81622285      0.38642065
  H     -3.13944636      2.55235196      1.77197814
  H     -4.79252182      6.08760671      6.26176565
  O     -5.42355556      5.59824961      5.74029762
  H     -9.91926216      4.53659191      2.77654072
  H     -4.99922459      4.75238830      5.51384907
          69
 Energy    -248.15718667134422     
  O     12.60807048     10.64216487    -15.75549925
  H     11.97622403     10.22900397    -15.15613978
  H     17.21519128     10.96852986    -15.77027539
  O     15.84609330      6.55297455    -12.76145718
  H     13.08538092      9.91720373    -16.18373252
  H     16.35941016      9.13498368    -14.40850353
  O     16.76774082     10.41055352    -10.88636534
  H     15.69010022      7.33447603    -13.31758320
  H     15.00202554      8.72266143    -15.06891536
  O     18.02400382      9.75260161    -14.64881880
  H     16.53221965      6.80513045    -12.13199755
  H     11.44324634      9.43814759    -13.04661871
  O     13.56446686      5.86087336    -16.27823346
  H     16.06944995     10.68391008    -11.49761637
  H     10.02033921      9.47204845    -13.64783078
  O     13.08597484      9.36481984     -8.90438081
  H     16.40428464     10.45602649     -9.99289652
  H     16.07858850      8.34361733     -8.36953700
  O     13.34594342      6.81355304    -11.66120149
  H     18.22378333      8.96734071    -15.18603260
  H     16.77152435      7.34415783     -9.31456915
  O     14.74302296     10.93344379    -12.69371112
  H     18.57135382      9.75433336    -13.85755194
  H     12.44125823      6.59422057    -13.27924797
  O     13.59814939      6.54106507     -8.87060809
  H     13.01246403      6.10176444    -15.51216493
  H     11.61844542      7.52663856    -14.18593268
  O     18.03317869      7.63897141    -16.33444448
  H     13.09861537      5.17303589    -16.74594460
  H     18.44543332     10.25294770    -11.65274787
  O     16.30910631      5.63606886    -15.41106754
  H     13.10841923      8.40499590     -8.80324302
  H     19.95952983     10.50275927    -11.80480727
  O     16.64506314     11.38351737    -16.43407642
  H     12.78941697      9.52764228     -9.80934784
  H     18.49333240      7.98641651    -11.30956527
  O     15.45809488      8.83041492    -14.22544422
  H     14.23130761      6.63332852    -12.01141598
  H     17.15688444      8.59903341    -10.93468901
  O     10.93497391      9.30861523    -13.86491596
  H     13.36328291      6.60314526    -10.72033902
  H     15.59717169     10.76799393     -7.57136951
  O     16.16016288      7.40271216     -8.56978480
  H     14.95408666     10.14316099    -13.21940203
  H     14.66696455      9.98469139     -8.52835899
  O     12.07476931      6.67777095    -14.16941358
  H     14.63305534     11.64259535    -13.33763036
  H     16.51889432     10.08789907    -17.60116210
  O     19.24763555      9.94230123    -12.10426482
  H     14.53815047      6.76228980     -8.74370313
  H     16.66732820      9.51993264    -19.03293467
  O     17.62924020      7.75190460    -10.96333237
  H     13.39265454      5.84477810     -8.25267929
  H     13.31598375     10.06667856    -11.98636641
  O     15.59618788     10.21758940     -8.34981843
  H     17.48564005      6.89170998    -16.05142976
  H     12.90713232      8.58046938    -11.70213484
  O     16.44054358      9.27863697    -18.13911596
  H     17.55740205      8.06760804    -17.05497577
  H     13.71649846     11.87862567    -15.28997761
  O     12.59452886      9.49840952    -11.68116048
  H     15.40487221      5.62372304    -15.74570214
  H     14.08376689     13.38048073    -15.21884310
  O     14.39578282     12.50994807    -14.98718107
  H     16.22491738      5.74441211    -14.45524947
  H     13.96945193      7.60465924    -16.70236413
  O     14.17080145      8.54902289    -16.70226303
  H     15.92215721     11.80136629    -15.95343502
  H     14.90810909      8.70842331    -17.30612269
          69
 Energy    -248.15712482285375     
  O     17.62172339      9.65549289    -14.77249580
  H     17.61934571     10.62381009    -14.82293163
  H     14.19403046     11.73764032    -12.58678162
  O     13.96388352      7.83842477     -9.26483591
  H     17.00011177      9.32326965    -15.43074730
  H     18.41036994      4.76192502    -13.27678198
  O     17.49546316     12.36328697    -14.62037467
  H     13.90058594      7.23021717     -8.53350017
  H     16.99436919      4.71255408    -12.68191501
  O     12.34805278      8.46867736    -11.50004165
  H     14.73968417      7.57314818     -9.78881679
  H     16.99035019      7.03978720    -10.83147540
  O     15.62198129      8.67243345    -16.46094691
  H     16.70107298     12.66325823    -14.16433286
  H     16.09229994      8.12481990    -11.44098869
  O     19.47267153      8.03900264    -13.52868143
  H     18.23659498     12.56744124    -14.03379866
  H     19.60865594      5.09263613    -15.55651490
  O     20.27207949     10.23633522    -11.96082181
  H     12.79314344      8.23343291    -10.67531873
  H     18.28120622      5.79383136    -15.17280960
  O     18.80306553      6.80013353    -11.11176077
  H     12.66545884      9.34689585    -11.73594846
  H     18.10887315     13.15066521    -11.63785450
  O     12.68959668      6.74953583    -13.55064702
  H     15.35361916      8.96236862    -17.32852467
  H     17.28386766     12.41376463    -10.57304067
  O     15.25186815     13.20723629    -12.95628629
  H     14.89714941      8.89772178    -15.85074824
  H     16.27069232      6.98294423    -15.90358464
  O     13.67027903      9.19710357    -14.66584160
  H     19.53001552      7.20598184    -14.01278753
  H     16.13205141      6.03013422    -14.69102960
  O     13.84051286     10.89296743    -12.27538982
  H     18.84727585      8.59579743    -14.01675123
  H     16.78023548      9.61991450    -13.17637181
  O     17.92330231      4.57203011    -12.46406368
  H     20.08919374      9.89539067    -11.07870381
  H     15.48470131     10.03695936    -12.40849270
  O     16.06748776      7.30557883    -10.92174125
  H     20.14345681      9.49129195    -12.56274501
  H     19.84380357     11.85082422    -12.45916298
  O     19.17702351      5.57250714    -14.85532360
  H     18.58746985      5.90583888    -11.41342039
  H     20.39274817     13.24293727    -12.84226136
  O     17.27364145     13.18581921    -11.15400626
  H     19.02217104      7.29370473    -11.91667926
  H     17.04171324     10.33217927    -10.80163342
  O     16.64211145      6.19273527    -15.49678929
  H     11.86735946      6.34336306    -13.81270509
  H     17.99668107     10.13387407     -9.60827269
  O     16.34564470      9.61229864    -12.31516566
  H     12.49584266      7.29987528    -12.77027459
  H     14.36421907      5.92386683    -13.27924278
  O     19.58482484     12.74855551    -12.73279068
  H     14.92742360     14.09851106    -13.05944822
  H     15.52840958      6.23747569    -12.32409819
  O     17.26092549     10.67155039     -9.91929399
  H     15.93174606     13.23760769    -12.25801088
  H     20.05995109      8.69089948     -8.78705530
  O     15.28278249      5.69788847    -13.08798204
  H     13.62356334      9.82067086    -13.93420915
  H     19.26219524      8.10393344     -9.97122442
  O     19.47121782      8.92761136     -9.49952154
  H     13.31499797      8.36072838    -14.33813093
  H     15.42067827     10.70445082     -9.55200530
  O     14.46057427     10.62403384     -9.63471346
  H     13.98566845     10.87641626    -11.31311618
  H     14.24608693      9.73320605     -9.33290051
          69
 Energy    -248.15689917881656     
  O     18.08378149      7.35175841    -15.24107257
  H     17.92562672      6.50596602    -15.65180722
  H     17.09479628      9.86308959    -17.28805687
  O     15.33171146     10.91755251    -14.52609578
  H     17.98848184      8.01341373    -15.94598251
  H     15.61923440     11.51524641    -11.23957063
  O     20.62204066     11.57987249    -10.82667008
  H     15.07513165     11.79691341    -14.20094958
  H     16.75692312     11.99354981    -10.32924830
  O     20.74423454     13.83991525    -12.58933331
  H     15.38295328     10.97010905    -15.48680607
  H     19.58089525     16.59109539    -14.79741903
  O     14.95734833      9.88475856    -12.00938184
  H     20.76037332     12.43182024    -11.25730280
  H     19.06232646     16.26539460    -16.20804016
  O     18.25030272     11.15700559     -9.55011580
  H     20.99332512     10.92519689    -11.42993143
  H     20.88243346     11.86093539    -15.23464213
  O     19.20478584      8.50911642    -13.03403264
  H     19.78220564     13.72446004    -12.53873771
  H     21.70373096     11.28100442    -14.05945910
  O     15.80575068     11.33249341    -17.28344957
  H     21.06071555     13.24706411    -13.28729572
  H     17.71202279      9.55883447    -10.44542964
  O     17.53578897     13.46572233    -16.98592968
  H     15.02312695     10.12485429    -12.94808951
  H     16.55075494      9.08033002    -11.33617493
  O     21.19934993     16.23182523    -13.83154568
  H     14.07165216      9.55570777    -11.87445107
  H     20.00200790     15.50073695    -18.51264389
  O     19.41471837     11.50824008    -16.19289157
  H     19.09369994     11.32529920    -10.00582063
  H     20.43127692     14.86636386    -17.17052344
  O     17.88252189      9.32548386    -17.15007991
  H     18.44656189     11.14435713     -8.61655686
  H     17.38124264     14.26841251    -13.88531757
  O     16.05518470     12.31344136    -10.91389497
  H     18.59884182      8.47123557    -12.27813802
  H     17.47347875     15.51427264    -14.80707692
  O     18.79147073     16.61890938    -15.35236437
  H     18.82904735      8.00309070    -13.76983612
  H     21.68529523     15.17630423    -15.34482126
  O     21.58094602     12.07302189    -14.59631171
  H     16.39480038     12.10512291    -17.24906007
  H     21.86656217     13.67327928    -15.63148466
  O     17.42054778      8.82715626    -11.00355303
  H     15.17983483     11.49965035    -17.98406009
  H     22.29633986      9.17154465    -12.74168498
  O     19.66014016     15.13946016    -17.69905225
  H     17.25578547     13.88089195    -16.15619994
  H     20.76971467      9.28898671    -12.94669409
  O     16.92775601     14.74263032    -14.59743127
  H     18.19380445     14.05490956    -17.37700568
  H     17.11982243     10.79145688    -14.13537905
  O     21.74350496     14.52910824    -16.05943378
  H     21.72585499     16.82947411    -13.30711556
  H     18.38648255     10.05168124    -13.56752136
  O     21.59119401      9.80343545    -12.85961185
  H     21.05058175     15.43900060    -13.28830065
  H     15.06559549     13.28234161    -12.50678701
  O     18.05716669     10.88638303    -13.92177992
  H     18.88392268     12.22734937    -16.55568791
  H     15.38706666     13.98387376    -13.84816214
  O     14.78233336     13.35804886    -13.42385521
  H     18.95327502     11.23813428    -15.38152445
  H     17.39476665     13.08687074    -11.92623429
  O     18.08432312     13.24770747    -12.58100255
  H     18.58467017      9.96461149    -16.97170037
  H     18.17766886     12.40730726    -13.05690740
          69
 Energy    -248.15689801624524     
  O     18.00924958      4.84822665    -16.10123936
  H     17.40616365      5.60190223    -16.14860203
  H     16.60523259     11.36505105    -14.89231696
  O     16.47593007      8.18285514     -9.36880638
  H     17.46902635      4.10207531    -15.81440868
  H     14.44866801      9.49601431    -17.49839143
  O     12.62728115     10.67919141    -10.49028709
  H     15.66996615      8.60291418     -9.03913785
  H     15.35970024      9.75667243    -16.27476002
  O     17.57086393      8.47219734    -13.97225852
  H     16.35796055      7.23288376     -9.24116421
  H     14.91082999      7.99117572    -12.16722412
  O     20.12478150      4.98345403    -14.38583173
  H     13.21605752     10.88597793    -11.23409213
  H     15.98465549      8.45308629    -11.13019431
  O     15.74756768      5.44121366     -9.27596574
  H     11.75965700     10.56190825    -10.87080024
  H     17.15698179      2.81468923    -14.11563733
  O     13.46607421      6.94966743    -12.57025502
  H     16.89088564      8.58275202    -13.29021193
  H     16.24173883      1.90822984    -14.97413377
  O     18.56757004     11.55032047    -11.88213439
  H     18.28289498      7.97875960    -13.54922561
  H     13.62338713      9.42020716     -7.78495776
  O     13.35854373      6.55751345     -9.81702355
  H     19.41032057      4.98138895    -15.04791089
  H     13.46470369      9.72170559     -9.28963640
  O     16.16749710      6.94301985    -15.75847358
  H     20.94043543      4.86229883    -14.86443544
  H     16.34601171      5.28053783    -12.43929732
  O     19.20629355      6.82545286    -12.43984024
  H     14.84111415      5.75244465     -9.45435083
  H     16.58381231      5.24684757    -10.89588842
  O     16.66255891     10.62159104    -15.50248668
  H     15.68952428      4.79416591     -8.57862611
  H     15.00904909     11.61147779    -12.87618911
  O     14.66664561      9.16997201    -16.62950352
  H     13.91222009      6.24052415    -13.05273301
  H     14.85759168     10.15933399    -12.37026746
  O     15.63856455      8.60949139    -12.01641738
  H     13.18757571      7.62152149    -13.21140210
  H     16.65271983     13.48982465    -13.41993595
  O     16.44145835      2.81898288    -14.77669246
  H     18.61556355     10.66334566    -11.48910645
  H     17.25373285     12.18640214    -12.84319869
  O     13.91042461      9.13972058     -8.65053039
  H     19.42524873     11.93817792    -11.72546721
  H     15.46029649      5.80072698    -14.55767350
  O     17.02581464      5.24118786    -11.75307130
  H     13.41325744      7.43644390     -9.42376194
  H     15.43193454      4.30053600    -14.17953743
  O     14.35693358     10.95953593    -12.59682189
  H     13.25415524      6.68268554    -10.77156816
  H     19.15077128      3.63426498    -13.38075774
  O     16.53322601     12.54437447    -13.39223195
  H     16.72432618      7.45656970    -15.15241733
  H     17.98865535      3.78058304    -12.38809375
  O     15.16927313      5.17753749    -13.87489591
  H     15.58888913      7.58015254    -16.19157578
  H     13.50020775      9.06459697    -15.12502969
  O     18.43879151      3.13964505    -12.95673341
  H     19.67647558      6.25858654    -13.06318057
  H     13.39050380      9.82438238    -13.79419998
  O     13.03831446      9.06612675    -14.27788343
  H     18.44628974      6.30698982    -12.13403473
  H     18.11305826      8.78580270    -10.12699829
  O     18.81490247      9.07963933    -10.72082147
  H     17.14427923      9.93258768    -15.02261386
  H     19.07687776      8.31021539    -11.24158107
          69
 Energy    -248.15681515679893     
  O     -4.12899058      1.79127160      4.49518567
  H     -4.65821180      1.04793469      4.81360585
  H     -7.51579371      4.83942364      0.01235184
  O      0.32972458      4.97131308      0.66418813
  H     -4.65196924      2.59735425      4.60725329
  H      1.46479592      2.08703974      0.36986266
  O     -0.57707834      0.37266540      2.01233284
  H      0.57441819      4.13657825      0.22582107
  H      0.28220860      1.94832532     -0.61428750
  O     -5.13679121     -0.77791695     -1.42912678
  H      0.77352815      5.67131701      0.19324445
  H     -5.67280571      4.84102599      5.29191653
  O     -2.58726239     -1.62063374     -1.01156934
  H      0.36170931      0.57135101      2.11606982
  H     -5.27251314      4.62175144      3.81142754
  O     -4.06361848      0.82900010      1.90128132
  H     -0.79971027      0.57582529      1.09157737
  H     -2.11038955      3.78774395      2.16519461
  O     -7.68315175      3.06766924      3.02928332
  H     -5.65406008     -0.83842360     -0.61197848
  H     -1.45060532      4.73089295      1.12883388
  O     -1.63659821      2.56379458      3.45602880
  H     -5.37024951      0.07891994     -1.79326900
  H     -5.47943950      4.99292135      1.59561234
  O     -6.38445261     -0.30509748      0.99625749
  H     -2.39628647     -2.35809539     -1.58567267
  H     -3.96084111      5.07009931      1.93020724
  O     -5.08743889     -2.12961261      2.97325735
  H     -3.49827593     -1.34041068     -1.20942996
  H     -5.92258750     -0.95740419      5.83993488
  O     -3.45526976      2.46576476     -0.16488892
  H     -3.53229203      0.02341162      1.94414206
  H     -5.46191579     -1.10732689      4.37352561
  O     -6.91555743      4.31545542      0.53772499
  H     -4.11308026      1.20794114      2.78828807
  H      0.79060735      4.26183337      2.41117069
  O      1.00032357      2.53668272     -0.34684696
  H     -7.50984606      3.50404737      2.18743247
  H      0.06522960      3.38794426      3.45355191
  O     -5.56327807      4.16899602      4.62485293
  H     -7.05203643      3.44485165      3.65319904
  H      2.88891174      1.20971680      2.44337754
  O     -2.30201729      4.40154643      1.44085635
  H     -1.33783404      1.76645824      2.99640972
  H      1.73052729      2.23221333      2.55052952
  O     -4.84445106      5.25430434      2.27392542
  H     -2.41206619      2.31676659      3.97474529
  H     -7.88347673      1.28849749      3.15166251
  O     -5.70900089     -0.45847731      5.05530072
  H     -5.57748365      0.11487004      1.33473115
  H     -7.26459882      0.09830479      3.91550125
  O      0.94185326      3.67366131      3.16147635
  H     -7.06444630     -0.14157285      1.66717488
  H     -2.55118110     -1.69049514      0.87016585
  O      2.02225854      1.41600829      2.10504320
  H     -5.63562453     -1.79172219      2.25686745
  H     -1.76913784     -1.04067770      2.04145205
  O     -7.84887574      0.31943971      3.18329091
  H     -4.17737055     -2.10316371      2.64828680
  H     -2.01155019      1.46783500     -0.61870439
  O     -2.56886479     -1.54098500      1.82503576
  H     -3.07776926      3.25679642      0.24173371
  H     -1.61097206      0.00066371     -0.91296901
  O     -1.25681652      0.86259948     -0.66463624
  H     -3.67698503      1.87596232      0.57564416
  H     -6.35218220      1.30005287     -0.20583057
  O     -6.13007752      2.02976393     -0.79713826
  H     -6.69263283      3.53466015      0.00628666
  H     -5.18308681      2.20942729     -0.68575728
          69
 Ord_Energy   -248.156799    
 O   -4.32625961       1.77959049       3.47621441    
 H   -4.00797129       1.73546743       2.56537843    
 H   -4.07146692      0.945183754       3.88934612    
 O   -8.10009480       3.96865702      0.319930583    
 H   -7.40904808       4.56036663      0.646926939    
 H   -7.65194988       3.34789920     -0.268501282    
 O   0.416980684      0.525430381       2.50580263    
 H   0.545029223      0.895560086       3.38932014    
 H  -0.162746787     -0.238266259       2.61471581    
 O   -3.25384331       1.58810115      0.931230903    
 H   -3.68729281       2.28935862      0.430616498    
 H   -2.35551715       1.89732087       1.11475551    
 O   -4.33356905       3.79846549     -0.388426483    
 H   -4.80825710       4.32092857      0.276896805    
 H   -3.44906068       4.17339325     -0.475458592    
 O   -3.35343909      -1.20029032      0.963474870    
 H   -4.16295767      -1.38116121       1.45688486    
 H   -3.33719301     -0.241680741      0.829167426    
 O   -5.10713959       5.44681311       5.15288830    
 H   -4.87584591       6.07963657       4.46254778    
 H   -5.73059654       4.82940245       4.74622154    
 O   -8.80480957       2.39940500       2.42409492    
 H   -8.67213535       2.99740577       1.66636860    
 H   -9.73538017       2.41358638       2.62935519    
 O   -1.89720047       1.13816869       6.06307173    
 H   -2.37259197       1.97727787       5.98214149    
 H   -2.47141027      0.460117936       5.68999624    
 O   -3.13207626       3.53164625       5.24097538    
 H   -3.54010105       2.94520354       4.58640814    
 H   -3.75453448       4.25858545       5.37579012    
 O   -6.39945459       2.09561133      -1.02270544    
 H   -5.64222527       2.69554138     -0.921597242    
 H   -6.34769964       1.73831260      -1.90610981    
 O   -4.35431671       7.09069061       2.89051914    
 H   -4.29520893       8.04159260       2.92596865    
 H   -3.46275187       6.76166677       2.67767382    
 O   -1.40991127      -1.64680040       2.79243851    
 H   -1.08279443      -2.54178309       2.74699807    
 H   -2.04109716      -1.54005492       2.05795097    
 O   -5.61229753      -1.44312799       2.70592904    
 H   -6.23116255      -2.16805506       2.74195361    
 H   -6.07658005     -0.708642721       2.26584268    
 O   -3.49930453     -0.690023720       4.46426153    
 H   -4.27228069      -1.03938544       4.00000095    
 H   -2.72950697      -1.02081800       3.98098254    
 O   -1.63628292       4.65358734     -0.288527548    
 H   -1.23785126       3.92795277      0.223341703    
 H  -0.995100200       4.90803289     -0.947684050    
 O  -0.766907811       2.70422435       1.41298270    
 H  -0.264256537       1.90622663       1.63381040    
 H  -0.838029385       3.20838594       2.23610163    
 O  -0.826799512       4.03912640       3.84982562    
 H  -0.200043216       3.42805600       4.25478220    
 H   -1.64713323       3.94367480       4.35868025    
 O   -6.49557590       3.48530221       3.63007903    
 H   -7.33559132       3.08727050       3.37588763    
 H   -5.82134628       2.79053140       3.59489369    
 O   0.526628017       1.82407439       5.04065704    
 H  -0.309318602       1.52408183       5.44101334    
 H    1.18749714       1.78494608       5.72690439    
 O   -6.91728640      0.538225293       1.37737954    
 H   -7.60901976       1.07747114       1.77974415    
 H   -6.68658876      0.979057610      0.552148163    
 O   -5.80610085       5.14107037       1.51082647    
 H   -6.03040743       4.55436897       2.24842644    
 H   -5.37487268       5.91108608       1.90078592    
 O   -1.93217635       6.07724285       2.22150302    
 H   -1.45557666       5.49376535       2.82634377    
 H   -1.82344174       5.70428181       1.33986139    
          69
 Energy    -248.15655184224866     
  O     11.76792897     10.35347386    -15.09940649
  H     12.29354534     11.15248510    -15.21923490
  H     18.77544945      8.59930270    -13.87643027
  O     15.93106936      6.33800090    -12.91337891
  H     12.25727345      9.64668246    -15.54470732
  H     15.60036503     10.84218250    -17.29104097
  O     17.50192593     11.21946869    -12.60898447
  H     16.79030266      6.30953675    -12.47441340
  H     16.53834426     11.66050022    -16.35713631
  O     18.14923442     11.50693339    -15.33237851
  H     15.29190287      6.62229258    -12.24489649
  H     15.63209733      7.88872148    -13.83416455
  O     12.69022060      5.73853226    -15.32794119
  H     17.53420116     11.17061611    -11.64528697
  H     16.40223016      8.74012150    -14.85731456
  O     14.64747913     10.93229046     -9.07388087
  H     16.55773128     11.22441168    -12.82900346
  H     11.20927442      9.74310465    -13.59885695
  O     14.25867643      7.47218563    -11.00473149
  H     18.87413974     12.11457485    -15.46179376
  H     10.01920582      9.50459840    -12.63778167
  O     14.84134776     11.04490781    -13.28509859
  H     17.99249242     11.46939305    -14.37529110
  H     16.92917203      8.84554010     -9.76190230
  O     16.96834566      6.92528555    -17.42285379
  H     12.00193685      5.10857417    -15.52293624
  H     17.30304628      7.42013657    -10.21428471
  O     18.12332954      8.67103779    -15.57653804
  H     12.52481890      6.06092345    -14.42343886
  H     11.71972287      7.61371947    -12.84250138
  O     15.53091344      5.51019305    -15.57961085
  H     14.07096478     10.68039360     -9.81303422
  H     12.86619732      6.85111478    -12.15471061
  O     18.93032184      8.75256456    -12.93370369
  H     14.28799496     10.49382059     -8.30548504
  H     19.13954778      6.00497534    -11.41046679
  O     15.69101364     11.68082211    -16.81407817
  H     15.04084190      7.56815731    -10.44067227
  H     18.64368530      7.34956856    -12.00241731
  O     15.55649857      8.66882662    -14.39867963
  H     13.89973245      8.36379439    -11.10309576
  H     16.34497185     10.91361710     -9.55817521
  O     10.95513870      9.35652957    -12.74049780
  H     15.03937646     10.19624642    -13.71378432
  H     17.81259656     11.12698883     -9.12548022
  O     16.65240850      7.92432949     -9.70847749
  H     14.41185998     11.61165936    -13.93698182
  H     14.50727155      8.92235143    -17.49320308
  O     12.21791749      6.78741443    -12.86640672
  H     17.31653597      6.30283278    -18.05552379
  H     15.88979957      8.43446920    -17.92833130
  O     18.36822399      6.55584324    -11.50706073
  H     16.44862160      6.40768614    -16.78177730
  H     12.37571146      9.89891955    -11.68454204
  O     17.26983334     10.78800088     -9.83363110
  H     17.84336702      8.15127317    -16.34052104
  H     13.78604087     10.47962578    -11.97579116
  O     15.30399965      9.19848720    -17.96748323
  H     18.18396320      9.60444146    -15.81222845
  H     14.33446524     12.23686932    -15.93959050
  O     13.23236624     10.08810097    -11.28308777
  H     15.75671798      5.66654588    -14.65278592
  H     13.44337768     13.42663768    -15.50727583
  O     13.61605404     12.50522843    -15.33658224
  H     14.56674501      5.48305602    -15.59577780
  H     14.13900554      8.44223327    -15.53397075
  O     13.37856587      8.34245518    -16.12676837
  H     18.46632792      9.57396257    -12.73439239
  H     13.05385419      7.44418411    -15.99441870
          69
 Energy    -248.15638339210102     
  O     -0.95111099     -2.48191722     -0.03065505
  H     -0.46205340     -1.70589176      0.27095222
  H     -3.81002112     -4.42317267      1.82848026
  O     -1.91652934     -0.24881827      7.49674701
  H     -1.88093232     -2.23763873     -0.12256328
  H     -1.48412661     -6.69156904      1.28887689
  O      1.89806435     -3.44441737      3.54330287
  H     -2.77889188     -0.67740678      7.55417021
  H     -2.19988182     -7.54697179      0.21998444
  O     -0.93886740     -0.38335950      3.53314466
  H     -1.33958893     -0.89433246      7.06195678
  H     -0.74589013     -3.39537052      1.57664001
  O      1.39372273     -4.03504023      6.09824508
  H      2.39838731     -2.97575185      2.86171121
  H     -0.56585912     -4.69517299      2.43864987
  O     -4.43463902     -1.59520859      7.06550692
  H      0.98453359     -3.47998664      3.22123200
  H     -2.28769586     -3.77359137      3.19070890
  O     -0.57361275     -2.05446006      5.86104028
  H     -1.15239297      0.34329406      4.13314204
  H     -3.21408353     -3.84664260      4.43059447
  O     -0.82968836     -5.74918794      5.36675609
  H     -1.78327964     -0.68682815      3.16783051
  H      2.22758477     -5.19774901      2.81050721
  O     -4.34683233      0.08149624      4.90738671
  H      2.15990096     -4.19517672      6.64212198
  H      2.34664386     -5.66582439      1.36211928
  O      0.54527707     -0.45907772      1.20170663
  H      1.71626080     -3.83744830      5.19991293
  H     -3.61149033     -1.30544504      1.64185755
  O     -0.48442283     -6.50064492      2.72019318
  H     -4.47907450     -1.02078670      6.28043182
  H     -3.45634970     -2.09867676      2.95584622
  O     -3.89151929     -4.56845681      0.87527689
  H     -5.27423435     -1.51423354      7.51023022
  H      1.57057261     -4.81058855     -0.55426990
  O     -1.98034606     -6.64813039      0.45292926
  H     -0.53116265     -1.63067446      4.99577824
  H      3.04729607     -4.93289168     -0.99316873
  O     -0.64271512     -3.73065757      2.47588311
  H      0.18089162     -2.64801674      5.96005612
  H      2.71222441     -3.00582418      0.66989254
  O     -3.21704486     -3.77922275      3.46818107
  H     -1.58611015     -5.27264874      5.72674107
  H      2.09866775     -1.65635957      1.13707013
  O      2.16238626     -5.98433074      2.25464905
  H     -0.05145946     -5.27976427      5.69092806
  H     -0.44695221     -4.07476725     -0.75943778
  O     -3.44147763     -1.20266313      2.58421783
  H     -3.61561831      0.69366006      5.05212908
  H     -0.75099643     -5.57803845     -0.55964481
  O      2.48949687     -4.67048156     -0.26534014
  H     -4.18151327     -0.31522220      4.04179411
  H     -1.86300506      0.95606223      6.23137231
  O      2.83814291     -2.26027945      1.27213529
  H      0.74143588      0.44425041      0.96374615
  H     -1.72456477      2.39854887      5.69009407
  O     -0.11379703     -4.96493074     -0.94280967
  H      0.10249821     -0.42692708      2.06605019
  H     -3.44423119     -3.15106059      6.58108053
  O     -1.88108183      1.49755632      5.42136952
  H      0.47363595     -6.49026376      2.56916561
  H     -1.99515280     -3.17185253      6.07415623
  O     -2.78040491     -3.72945825      6.18632870
  H     -0.64750727     -6.36745827      3.66566940
  H     -4.34739084     -1.89705179     -0.79845278
  O     -3.71992372     -2.06105443     -0.10026828
  H     -3.30166087     -5.30222978      0.66608926
  H     -3.84713710     -2.98596638      0.18451546
          69
 Energy    -248.15625996574715     
  O     16.15935832      9.16076470    -12.14768818
  H     16.42028747     10.09031820    -12.11940225
  H     12.97440765      9.66420390     -9.49553313
  O     14.94590317      4.91452347     -6.97855219
  H     16.95015901      8.60159584    -12.14610253
  H     13.17515250      9.20202372     -7.19177876
  O     16.82154506     11.83479121    -11.85273926
  H     15.20825999      5.11560908     -7.89347417
  H     12.48114185      9.20527754     -5.81028715
  O     12.47982147      6.16967342     -7.59358128
  H     15.27463752      4.04077187     -6.78386964
  H     18.77140227      2.84807756    -12.46913753
  O     13.83780615      8.21138410    -13.14528544
  H     17.64371939     11.71008497    -11.34239959
  H     17.70428661      3.95228031    -12.38415912
  O     18.25523246      7.41312630    -11.93752550
  H     16.95288984     12.59690347    -12.40958270
  H     15.10273221      5.53448308    -10.33584645
  O     20.34824809      8.91386226    -10.74993783
  H     13.23587761      5.64442394     -7.30373739
  H     15.60140691      6.66276630     -9.41999405
  O     18.30892695      5.40644697     -9.95818616
  H     12.56960991      7.02363652     -7.15324306
  H     18.00267801     11.81195947     -6.96437358
  O     11.82331974      5.98783929    -10.21074217
  H     13.77077951      8.38430167    -14.08060537
  H     17.64599867     10.41909115     -7.53121530
  O     15.36387225     11.86263081     -9.34542414
  H     14.68061706      8.59445270    -12.84514113
  H     15.84837003      8.70965510    -10.39091313
  O     12.23290353      8.76574998    -10.84548794
  H     19.01843108      7.96271522    -11.72015205
  H     14.89240214      8.89966438     -9.18329944
  O     13.48119171      9.96335092     -8.72492358
  H     18.24585586      6.72006800    -11.26163597
  H     19.47646649     10.53481463    -10.44974933
  O     13.03607417      8.68079914     -6.38169134
  H     21.28870756      8.84345978    -10.89023827
  H     18.65938086     11.34705291     -9.40465658
  O     18.31268238      3.41183985    -11.85228774
  H     20.14672053      8.41216665     -9.93785851
  H     14.70959860      7.90636936     -5.88103220
  O     15.58398688      5.69772161     -9.51603564
  H     18.44351777      4.63428581    -10.52582336
  H     15.40236015      6.54501483     -6.06016975
  O     17.73446109     11.35989456     -7.76029677
  H     17.36727795      5.42610562     -9.73888710
  H     13.27925992      5.65799164    -11.34065294
  O     15.66955072      8.41520496     -9.49014618
  H     10.96631867      5.57181214    -10.25821096
  H     14.00498523      6.53541188    -12.36636773
  O     18.95921396     11.33973428    -10.32259807
  H     12.05568758      6.03498551     -9.26624212
  H     18.92717890      7.86333737     -8.05715295
  O     15.55286430      7.45085862     -5.76390353
  H     16.11997838     11.75897895     -8.75423491
  H     19.24649576      6.65258337     -8.96706000
  O     14.08243387      5.70479169    -11.87726276
  H     15.73717150     11.93211924    -10.23113957
  H     16.86259391      8.27188319     -6.67794045
  O     19.61938171      7.46771552     -8.60228456
  H     12.70282664      8.69424939    -11.68467568
  H     16.86282484      8.60380679     -8.18268937
  O     17.39157606      8.68597069     -7.37440966
  H     12.00492738      7.85906388    -10.60554469
  H     15.77191101      5.32474422    -12.75018911
  O     16.66127778      5.23367983    -13.11333534
  H     14.02900143     10.72513046     -8.96541091
  H     17.13587804      6.04675900    -12.90451810
          69
 Energy    -248.15623560414267     
  O     -4.32184058      2.26311515      4.27475907
  H     -4.74742597      1.43153206      4.51411249
  H     -7.40522169      4.96064844     -0.03327590
  O      0.75287073      4.61051017      0.72216895
  H     -4.93144968      2.99395375      4.44040818
  H      1.59486400      1.63043491      1.13039915
  O     -0.78046506      0.32415782      2.70484181
  H      0.94953946      3.68603232      0.48710574
  H      0.55513161      1.37576457      0.01983735
  O     -4.73304742     -0.96800561     -1.33637955
  H      1.34698748      5.15609004      0.21395151
  H     -5.97864495      5.34517016      4.87326811
  O     -2.65827890     -1.96074966      0.02606077
  H      0.14754224      0.47734589      2.92068396
  H     -5.39646413      4.85452215      3.52296963
  O     -4.37514656      1.32127966      1.59500978
  H     -0.84687910      0.36367763      1.73869377
  H     -1.96968909      3.87117570      1.98125296
  O     -7.55044908      2.93365384      2.70904600
  H     -5.48581968     -0.73774250     -0.77295907
  H     -1.10878658      4.64000151      0.95548771
  O     -1.76162503      2.84171971      3.46421600
  H     -4.59348156     -0.21242788     -1.91903473
  H     -5.29029866      4.87446692      1.30269904
  O     -4.29049053      1.51580690     -2.68463246
  H     -2.45691479     -2.84020931     -0.28188145
  H     -3.77394208      5.01349165      1.63061262
  O     -6.59515099      0.12699329      0.40378238
  H     -3.42196520     -1.64811032     -0.49387875
  H     -5.30610661     -1.06310782      5.17282501
  O     -2.96004439      2.39362465     -0.46146063
  H     -3.95677150      0.49797702      1.87966061
  H     -4.55548633     -0.74459610      3.86370759
  O     -6.76600609      4.33184747      0.29350245
  H     -4.49515094      1.84383278      2.39645126
  H      0.91970379      4.19143866      2.61544926
  O      1.27064750      1.96717953      0.28583513
  H     -7.36177243      3.34639945      1.85835657
  H     -0.03575443      3.55538747      3.64101505
  O     -5.85850963      4.56919161      4.33402922
  H     -7.12961519      3.50304980      3.36307060
  H      2.65616069      1.03427251      3.49285035
  O     -2.01894168      4.40763658      1.17477769
  H     -1.44455108      1.96382742      3.21261621
  H      1.59755058      2.13882112      3.25336649
  O     -4.66033720      5.14216173      1.98568422
  H     -2.63000437      2.71014645      3.86781580
  H     -7.72492121      1.12239710      2.89243791
  O     -5.23888411     -0.41928158      4.47111132
  H     -3.87995915      1.78893721     -3.50079804
  H     -6.94145613     -0.07262338      3.47300557
  O      0.89907108      3.73269417      3.46423164
  H     -3.76907817      1.90555142     -1.96192097
  H     -3.08629959     -1.49324606      1.79952672
  O      1.85803976      1.23154483      3.01094509
  H     -5.84393125      0.61613551      0.77126565
  H     -2.34082040     -0.63052967      2.84565731
  O     -7.69405546      0.15274208      2.91698757
  H     -7.16767307     -0.02614861      1.16678188
  H     -1.69566056      1.08629898     -0.27620604
  O     -3.20256492     -1.01835018      2.63274346
  H     -2.59039088      3.18943003     -0.05860569
  H     -1.52337810     -0.45407874     -0.14727277
  O     -1.05953673      0.38816908     -0.06480091
  H     -3.54114295      2.01194625      0.21593472
  H     -6.87639639      1.46468032     -0.84247299
  O     -6.75021298      2.23775934     -1.41106749
  H     -6.74185175      3.60666730     -0.35400051
  H     -5.99512734      2.03357999     -1.97383546
          69
 Energy    -248.15598897429908     
  O     17.46136912      9.97230015    -10.94419312
  H     17.76717504     10.61867950    -10.29489820
  H     15.02008250      8.81886929     -6.05126876
  O     14.28407333      5.66622727     -7.68952659
  H     18.15759753      9.30392147    -11.03138151
  H     18.62341955      5.09783097    -12.37610748
  O     18.43538639     11.54372291     -8.84327928
  H     14.80467808      5.48322006     -8.48253181
  H     19.10986937      5.98232255    -13.54178726
  O     11.95894121      6.86929291     -8.80049254
  H     13.43457318      5.99242228     -8.01043345
  H     15.32891542      5.83608441    -10.96446002
  O     15.49834115      9.21437166    -12.72425025
  H     18.85213543     12.40113373     -8.86841345
  H     15.89049627      6.62652111     -9.76583505
  O     19.39583661      7.98159879    -10.95085125
  H     17.84733005     11.54094956     -8.06727613
  H     20.53376610      8.12640068    -13.97325589
  O     18.45140822      5.38772251    -10.55966519
  H     12.01878670      6.88878199     -9.77269805
  H     19.66587361      7.94509035    -12.70868783
  O     12.24164336      7.20484302    -11.46899751
  H     11.04572640      6.70028906     -8.58484533
  H     17.94666280      8.13983503    -14.44425749
  O     16.84683080     11.52383295     -6.65330746
  H     15.96909181      8.96081327    -13.53226171
  H     16.74889395      7.27020977    -14.86492932
  O     13.14708406      9.93239409    -11.52109985
  H     16.16809886      9.56402239    -12.11988809
  H     15.24181975      8.62590254     -8.98727826
  O     13.51449177      9.22505393     -8.78709898
  H     19.68705102      8.31396568    -10.08918262
  H     16.54816888      8.90954821     -9.79367110
  O     14.82702419      9.72044805     -6.33580905
  H     19.05286622      7.08712174    -10.81303305
  H     19.21392847      8.54868744     -7.85573900
  O     18.64076954      5.16354173    -13.34117651
  H     17.49599055      5.39373379    -10.40698196
  H     19.44236179      9.93121279     -8.49414645
  O     15.74495282      5.72690952    -10.09957274
  H     18.86883326      5.23371626     -9.70074420
  H     15.27667091      6.55478252     -4.83106944
  O     19.68152214      7.82088968    -13.67259536
  H     12.38167099      8.15512832    -11.56149736
  H     15.04982655      6.49378148     -6.35812796
  O     17.02890947      8.18543173    -14.74054989
  H     12.99839967      6.79466652    -11.90940159
  H     15.15102768      6.03233603    -13.30153999
  O     16.12318087      8.28843843     -9.19055274
  H     16.13411781     10.87115171     -6.55149971
  H     15.01146006      7.39546742    -12.57772219
  O     19.80397406      9.03814808     -8.44416079
  H     16.87618507     11.99993409     -5.82745108
  H     20.30604925      5.55223346     -7.64194401
  O     15.47359924      7.00729000     -5.64674426
  H     13.96587116      9.72410561    -12.00296206
  H     18.85524997      6.05321503     -7.63833105
  O     14.70822868      6.47718303    -12.56815958
  H     12.77297271     10.70278441    -11.94126532
  H     17.26096348      7.78906432     -7.89954919
  O     19.43798825      5.36267354     -7.99136307
  H     13.36398454      9.58283640     -9.67095845
  H     17.17556677      7.29251346     -6.45846703
  O     17.80732834      7.47470941     -7.16292845
  H     12.94377879      8.44950569     -8.70186720
  H     16.17642002      4.73161364    -15.28969895
  O     16.27619137      5.40779143    -14.62560923
  H     14.25928172      9.64610917     -7.11348489
  H     17.11781666      5.23129896    -14.16695436
          69
 Energy    -248.15596553422969     
  O     11.32751023     10.55785922    -11.38260551
  H     11.86134004      9.80324119    -11.08309173
  H     19.29513321      7.51749364    -15.33364547
  O     14.05674035      7.88632319    -15.81432458
  H     10.78769104     10.81909280    -10.64049002
  H     14.48623374     12.32481395    -14.47927526
  O     17.41303574     10.34628641    -10.66674409
  H     13.74765991      7.05390857    -15.43524183
  H     14.60667454     12.23406702    -16.01291093
  O     17.95744589      9.57897803    -17.50194352
  H     13.39964014      8.57095582    -15.61875645
  H     15.39373853      8.33713806    -14.73460829
  O     12.43177459     10.09269717    -15.35658161
  H     16.53346712     10.23517776    -11.06798290
  H     16.55079599      9.36487681    -14.48157107
  O     14.77494630      6.52212554     -9.76851789
  H     17.35724465     11.09993042    -10.08465495
  H     18.53666994      6.89347291    -13.08221326
  O     13.34697864      5.54778209    -14.47059990
  H     18.58660303      9.75669896    -18.19652928
  H     17.08543796      7.37207371    -13.31517022
  O     15.04809973      9.80415278    -11.90743699
  H     18.25819246      8.77097253    -17.05136999
  H     12.07888867      6.45309345    -13.35438500
  O     15.14332988      9.36944593    -17.94510267
  H     12.66551435     10.61206258    -16.13580884
  H     11.05456448      7.60574595    -13.14441944
  O     15.13334283      5.42001162    -12.43757505
  H     12.75539280     10.59028713    -14.59231418
  H     18.58349944     10.27076046    -12.16346877
  O     17.36577339     10.86968126    -15.06135061
  H     15.66930413      6.90038966     -9.84167908
  H     18.54849240     10.54064474    -13.68854979
  O     18.71920898      7.36604688    -16.09710554
  H     14.78360195      5.94069414     -9.01259492
  H     19.78938574      8.65998092    -13.41542828
  O     15.11023142     12.41608377    -15.20960352
  H     13.13607172      4.66097509    -14.75080514
  H     21.00059391      7.69285112    -13.39825406
  O     16.09649162      8.59092298    -14.12180214
  H     13.99146433      5.46775734    -13.74414022
  H     17.46865957      7.19848151    -11.08231812
  O     17.61752538      6.68450094    -12.88139687
  H     15.38584941      9.31911921    -12.67482479
  H     17.40756214      8.48223472    -10.23358513
  O     11.59351724      6.94534364    -12.68464934
  H     14.33545845      9.27926413    -11.51869396
  H     13.28711993     11.93677170    -18.28289696
  O     19.08709467     10.16352841    -12.97865929
  H     16.10151674      9.40654433    -17.84480770
  H     14.16526227     10.78679167    -17.72950705
  O     20.09764082      7.77635637    -13.69051811
  H     14.81766872      8.72393356    -17.30270543
  H     13.49687669      7.74802541    -10.32285093
  O     17.25409479      7.53087892    -10.20041296
  H     16.04486440      5.69772837    -12.59592177
  H     12.46252779      7.81715734    -11.47877440
  O     13.59504907     11.53520266    -17.47543916
  H     14.91498325      5.71669279    -11.54706660
  H     12.55207651     11.45845322    -12.56651017
  O     12.94373967      8.35618335    -10.82751196
  H     17.59987778     10.58889208    -15.95405342
  H     14.01969863     11.04648890    -12.72100802
  O     13.32047050     11.57095681    -13.13884384
  H     16.62007807     11.48611994    -15.12197487
  H     10.48924515      9.70873467    -12.97171982
  O     10.31053229      9.16540548    -13.74827815
  H     18.04517206      6.76257765    -15.78564437
  H     10.91686513      9.48274930    -14.43128013
          69
 Energy    -248.15585367803868     
  O     16.34167612     10.52483128    -15.49834049
  H     16.90790472      9.82955160    -15.12737328
  H     14.88955232     10.63991508    -14.47061745
  O     18.19204447      9.09550628    -11.57617842
  H     16.73165417     10.76411981    -16.33484405
  H     15.84990778      8.92783083     -9.33411382
  O     15.26215684     10.51600576     -8.62485636
  H     17.51845798      8.75492025    -10.96912541
  H     15.57602621      8.34734621    -10.74516917
  O     11.81426785      9.18440892    -14.02257074
  H     18.97403335      8.54920933    -11.42793215
  H     14.95276755      7.82396772    -12.88664907
  O     18.20859470      3.93453507    -13.13602290
  H     15.11717842     10.81822815     -7.73283147
  H     14.44924048      9.26372405    -12.66327497
  O     12.77384367      6.65845369    -15.06056373
  H     14.43284291     10.66904699     -9.11323014
  H     12.58588200      5.72991383    -12.13316191
  O     15.99322971      5.50278490     -9.85086323
  H     12.08969408      8.34212903    -14.40140667
  H     13.67963764      4.78463323    -12.68466591
  O     13.09588425     11.03775172    -10.16811718
  H     12.58396360      9.76909481    -14.08407981
  H     21.02104771      7.11374592    -10.72307194
  O     19.44264344      6.26375866    -13.80612295
  H     18.63084619      3.20489282    -13.58117143
  H     19.66217131      6.38564769    -10.85063249
  O     16.80378033     11.52033625    -10.85884908
  H     18.64083361      4.74643076    -13.45687418
  H     15.53642533      5.99104462    -13.69830451
  O     14.61595093     12.66577878    -11.97271979
  H     12.68882798      6.05116826    -14.30315963
  H     14.61816343      6.76468612    -14.69655139
  O     14.16017865     10.65502165    -13.83383985
  H     12.35492341      6.23252571    -15.80402736
  H     17.80277895      8.71179771    -13.34667675
  O     16.12537939      8.23948868     -9.95116957
  H     16.09793929      6.46509068     -9.81278027
  H     16.92431140      7.84086417    -14.31073004
  O     14.63968541      8.43460317    -12.20731645
  H     15.13444445      5.31139397     -9.45013813
  H     17.78657741      5.09723864    -10.13012096
  O     12.78064869      5.10184783    -12.84151315
  H     13.45166752     11.64888834    -10.82535397
  H     18.56516464      4.48986473    -11.31153710
  O     20.18607856      7.13737185    -11.18244914
  H     12.39410313     10.53434067    -10.59583441
  H     11.25342745      9.38187468    -12.38830947
  O     15.47945043      6.77786806    -14.26043344
  H     19.84271571      6.57508157    -12.98441722
  H     10.10657907      9.75338258    -11.42006508
  O     17.68336017      8.44291361    -14.26927796
  H     18.91943351      7.00583934    -14.13431654
  H     15.70001760      4.95356080    -11.56227097
  O     18.67610767      4.98698720    -10.49226893
  H     17.38202192     10.81691301    -11.17707100
  H     16.42651716      4.28296514    -12.75297156
  O     11.02196269      9.48829222    -11.44755835
  H     16.42949636     11.20956975    -10.02465962
  H     12.69730323      4.62696424     -8.98607483
  O     15.58336348      4.66710235    -12.47971709
  H     14.72489855     13.61108029    -12.02663547
  H     13.01352577      5.99660504     -9.60554652
  O     13.36780430      5.30514660     -9.02430278
  H     15.45344481     12.30452944    -11.62874781
  H     13.29117373      7.58312522    -11.34428017
  O     12.52557506      7.16936221    -10.91889174
  H     14.27915548     11.43528593    -13.27855556
  H     11.83920845      7.84512431    -10.94913669
          69
 Energy    -248.15584930432038     
  O     -0.62291721      0.48348713      0.43098140
  H     -1.39469973      1.03032138      0.62778254
  H     -1.76849645     -0.86889088      4.41646101
  O     -0.25637597      4.54794425      0.89394709
  H     -0.93524983     -0.38280008      0.14360152
  H     -3.09998718     -0.77535399      2.60097299
  O     -1.95801512      3.79751987      3.00667871
  H     -0.02788183      5.45869459      0.72067852
  H     -4.06633586     -0.77886147      1.36947098
  O      2.25546116     -1.25177208     -0.76134762
  H     -0.66325960      4.20804081      0.07854380
  H     -5.03986819      4.38294770      3.86773240
  O     -4.08413794     -1.25584962     -0.48753236
  H     -1.35720237      4.16620723      2.34865957
  H     -3.61751547      3.81574182      3.74175304
  O     -1.05866953      0.35659173     -3.09112153
  H     -1.43485960      3.24228280      3.60741348
  H     -2.37775253     -0.03516112      6.80973677
  O     -3.22141011      1.34013792     -1.48636761
  H      2.21015167     -0.29002113     -0.84871927
  H     -3.10886899      0.44375853      5.53082085
  O     -1.31976932      3.61637800     -1.46026535
  H      1.62761934     -1.59885584     -1.40558940
  H     -3.31835809      1.20595612      1.62759981
  O      1.61128704      1.47714851     -0.85513141
  H     -4.65662524     -1.93311167     -0.83942449
  H     -2.63343427      2.59652115      1.81080708
  O      0.16972498     -1.99151518     -2.58494292
  H     -3.18301183     -1.62437094     -0.48311583
  H     -4.60795749      1.86059085      4.50796466
  O     -1.50310314     -2.08292965     -0.36334455
  H     -0.48870532      1.11519132     -3.26590260
  H     -4.53599587      0.46143216      3.83691391
  O     -1.51836560     -1.17480807      3.53425695
  H     -1.79767069      0.68725428     -2.56511854
  H     -1.09572367      1.46687223      5.11559333
  O     -3.91399350     -0.39470174      2.24083503
  H     -3.65877585      0.48855388     -1.37045537
  H      0.02492408      1.49472157      4.05394836
  O     -4.50124913      3.62944531      4.09545574
  H     -3.18450551      1.69575839     -0.58434306
  H      1.22085052      3.42599468      1.39677280
  O     -2.24883514      0.14860067      5.88384831
  H     -0.64795497      3.38347296     -2.11395638
  H      1.70224744      2.14042257      2.10742598
  O     -2.87612810      1.92793297      1.16027732
  H     -2.03753036      2.98797407     -1.58805062
  H      0.58902117     -2.80143794      1.91384559
  O     -4.53106689      0.91282692      4.68983018
  H      0.76211575      1.12574355     -0.54354594
  H     -0.79922606     -2.61723555      2.56031722
  O     -0.55630923      2.05964992      4.57764288
  H      1.94596212      2.01002547     -0.12067359
  H      1.42294033     -0.34781594      2.59772356
  O      1.97744769      2.83287543      1.49794892
  H     -0.26209467     -1.15000416     -2.82259438
  H      0.31166290      0.47715543      1.90966073
  O     -0.32786053     -3.09934737      1.86722548
  H      0.22968319     -2.50778367     -3.38407702
  H      1.14478731      2.20768498     -2.37102993
  O      0.80570543      0.38079285      2.74068566
  H     -1.10282085     -2.54953854      0.38632351
  H      1.38758111      2.90959279     -3.73173582
  O      0.70350599      2.57969240     -3.15611375
  H     -0.93377309     -2.19653369     -1.13427987
  H      2.29965305     -1.67745861      0.92658780
  O      2.26588515     -1.86336409      1.88237669
  H     -0.75491940     -0.64226546      3.27958142
  H      3.10023924     -2.26275623      2.11374037
          69
 Energy    -248.15575928887202     
  O     12.75409370     10.98226135    -15.61146497
  H     12.86509463     10.08685965    -15.96612492
  H     20.40536956      7.78315500    -13.90811532
  O     15.43795987      6.53057791    -12.63265678
  H     13.59365441     11.42750924    -15.76267354
  H     17.76813326     10.41144638    -17.98706388
  O     17.77848719     10.26332387    -11.77119642
  H     16.30403002      6.79081868    -12.28604420
  H     17.37754706      9.50767272    -16.79882724
  O     12.15914793      6.10992491    -15.26711803
  H     14.76845622      6.87007082    -12.02329167
  H     14.62003344      8.53655631    -15.05397709
  O     14.55233288     10.57534717     -8.88557593
  H     17.09584748     10.68571094    -12.30718301
  H     15.30407980      7.89066806    -13.80103208
  O     13.55543394      7.79574595    -11.04571155
  H     17.63476285     10.55013063    -10.86027760
  H     11.89532211     10.73220996    -14.13033936
  O     15.63759492     11.12587962    -13.38097403
  H     11.38673909      5.58840935    -15.46687708
  H     10.61439322     10.99311520    -13.30263485
  O     16.61956637      5.87490662    -17.00427990
  H     11.95136289      6.62456313    -14.46539082
  H     17.31009769      8.83209849     -8.98261260
  O     14.49383266      7.72920500     -8.42386503
  H     14.15462812     10.67503499     -9.76157103
  H     17.43665064      7.62386754     -9.93254335
  O     17.69346883      8.10851413    -15.72869770
  H     14.40230123      9.65862593     -8.62377833
  H     11.50580672      8.59907931    -13.21644185
  O     14.87232895      5.25512592    -15.04636464
  H     13.64043205      8.74330854    -11.22501076
  H     12.23675637      7.57070546    -12.33415750
  O     19.63725873      7.21536150    -13.88698952
  H     13.77671513      7.67104665    -10.11461235
  H     18.53464173      7.27053645    -12.39098645
  O     17.04753465     10.19823268    -17.39799032
  H     15.61047113     11.67417477    -14.17069491
  H     17.82137435      8.50077596    -11.78660379
  O     15.33897568      8.63468233    -14.41713897
  H     15.52275935     10.21639853    -13.70523262
  H     16.28824644     10.77815651     -8.95397130
  O     11.43826341     10.51318698    -13.29840353
  H     16.99968755      5.06654015    -17.33667294
  H     17.59571435     11.37780266     -8.38629841
  O     17.11831043      7.88898234     -9.05951155
  H     15.98659211      5.62031846    -16.30754208
  H     15.72855008      7.24997588    -17.96574261
  O     11.67102055      7.65453420    -13.11303333
  H     15.44730351      7.70954139     -8.62672029
  H     15.82809024      8.78200460    -18.13273765
  O     17.85283525      7.53031610    -11.75986322
  H     14.36753821      7.20255157     -7.63989139
  H     12.81499049     10.61848114    -12.05658129
  O     17.25880433     10.76046991     -9.02958290
  H     16.92268987      8.32667563    -15.18153106
  H     14.34327381     10.85125782    -12.12306108
  O     15.25271980      8.02582307    -18.29192089
  H     17.46113442      7.29372014    -16.19598169
  H     15.52167853     12.91861190    -16.51939388
  O     13.62911169     10.55706598    -11.54113009
  H     13.93076939      5.44155788    -15.14120383
  H     15.95481142     11.43942068    -16.53796077
  O     15.40962601     12.08636045    -16.06504880
  H     15.11161315      5.54645609    -14.15539782
  H     12.87666713      7.58755212    -16.12719168
  O     13.33314703      8.40217322    -16.36842023
  H     19.03013980      7.57049761    -14.55353953
  H     13.90157649      8.22557378    -17.13183692
          69
 Energy    -248.15571697369106     
  O     -3.38407808      5.74647974     15.85789192
  H     -3.52815914      5.37491088     14.98027032
  H     -3.78956055      6.83391457     17.34193142
  O     -0.90913786      7.64789501     18.56297554
  H     -2.47745538      6.09069853     15.85945505
  H      2.79619244      4.46114284     14.24195818
  O     -3.32331125      3.51186725     17.52428062
  H      0.04253505      7.79415171     18.62792292
  H      4.11849051      5.08377881     13.74232517
  O     -0.03876151      1.24924570     14.34273601
  H     -1.09044794      6.89152484     19.14105275
  H     -1.61978789      3.24462979     18.12404179
  O     -2.44178961      2.28538191     15.06765479
  H     -3.34308870      4.27873530     16.93120339
  H     -0.36179718      2.50770100     18.74595792
  O      0.74936709      1.13748923     19.13199063
  H     -3.72082463      3.82251332     18.34646378
  H      0.83424350      2.86033840     14.00020423
  O      3.32117055      5.79403700     17.19057768
  H     -0.90533809      1.58354690     14.63522610
  H      1.00629810      4.01272744     15.00950272
  O      1.95384905      7.62690983     18.76580923
  H     -0.21014869      0.48570093     13.79774151
  H      1.10909512      1.02468164     15.85479512
  O      3.99184691      2.42501303     16.15533029
  H     -2.75188662      2.96139958     14.45114849
  H      2.49479217      1.43227442     16.42700383
  O     -0.78333679      5.65989958     13.30057732
  H     -2.81232995      2.51529489     15.92680379
  H     -1.07916772      4.67819341     19.62906709
  O     -0.80512385      6.72515273     15.93509480
  H      0.69367176      0.26983906     19.52110130
  H     -2.33100718      5.29556520     20.27810228
  O     -3.77351553      7.22985191     18.22449428
  H      1.10438446      1.02358599     18.22967465
  H      0.42021133      5.52587027     20.73701297
  O      3.65139391      4.82196075     14.53167969
  H      3.49208483      5.61568665     16.25679833
  H      1.62126896      6.26924779     20.13270379
  O     -0.73372671      3.36190203     18.49210013
  H      3.86319773      5.17201733     17.69685014
  H      2.15875034      3.93382325     20.32394246
  O      1.16221387      3.76340269     14.08259746
  H      2.45270074      7.05120596     18.16399562
  H      1.97852209      2.47232638     19.80412395
  O      1.67341772      0.96265088     16.63239176
  H      2.52734646      8.36207940     18.97162381
  H      3.99744620      3.52502041     19.11133914
  O     -1.37858010      5.40993301     20.19215488
  H      4.32887165      2.79719641     16.98012487
  H      5.53129717      3.73590315     19.05019805
  O      1.38519692      5.52385234     20.69568662
  H      3.97564593      3.15930079     15.53260786
  H     -3.66355595      4.50971825     12.52940410
  O      2.63197784      3.14488513     20.01980169
  H     -0.75383032      6.23305867     14.07775991
  H     -2.34364790      4.88133661     13.24941340
  O      4.73302201      3.80941445     18.53568448
  H     -0.07629232      5.01277173     13.42480220
  H     -4.12149794      5.86487953     19.27851826
  O     -3.20805272      4.44614730     13.36413213
  H     -0.87838256      7.21321275     16.76507690
  H     -4.95414697      5.12201669     20.34963633
  O     -4.17810000      5.04439365     19.80140100
  H     -0.22475481      5.97689012     16.14097569
  H      0.33919554      4.14094314     17.32539957
  O      0.81785806      4.62346577     16.63815010
  H     -2.89009644      7.60074514     18.33575559
  H      1.66008185      4.92407966     16.99660856
          69
 Ord_Energy   -248.155472    
 O   -1.85421860      -6.56140232       9.78788757    
 H   -1.36097717      -6.88689041       10.5361471    
 H   -1.49157524      -7.00341225       8.99710560    
 O   -9.46774387      -5.03483009       6.61962843    
 H   -9.18043995      -4.89971828       7.54142523    
 H   -10.3510580      -4.68410301       6.55087900    
 O   -4.61129713      -9.60774040       8.79242611    
 H   -4.50336790      -8.67098618       8.98493576    
 H   -5.45127058      -9.86768913       9.19256020    
 O   -4.33334064      -6.35103607       3.04859829    
 H   -4.96419239      -6.91756487       3.51296687    
 H   -4.68121243      -5.45559597       3.13264298    
 O   -6.86141443      -4.18008184       5.85433006    
 H   -6.44344044      -4.17052031       6.72433805    
 H   -7.78023005      -4.43211317       5.99872875    
 O   -6.01103306      -7.75724792       4.83309078    
 H   -6.83026361      -7.59684420       5.31985903    
 H   -5.66042185      -8.59798336       5.16124392    
 O   -1.68485498      -6.92957926       3.39876842    
 H   -1.29254460      -7.08264828       2.54322934    
 H   -2.61754704      -6.69806147       3.23820257    
 O   -4.14822388      -6.48504448       6.42815733    
 H   -4.86607647      -6.79267406       5.85754538    
 H   -3.85530758      -5.62659311       6.10155869    
 O   -8.17971897      -7.54823828       6.57245970    
 H   -7.83028984      -7.48403502       7.47264910    
 H   -8.74797153      -6.77798176       6.45801783    
 O   -5.69209051      -4.08427858       8.46988201    
 H   -4.97269154      -3.44605589       8.38519096    
 H   -5.28812170      -4.91094303       8.75940895    
 O   -3.29470468      -3.92551112       5.54554701    
 H   -3.93755722      -3.73633623       4.85066652    
 H   -3.44025922      -3.30834389       6.27260733    
 O   -7.62722921      -10.3326244       6.85636282    
 H   -6.75114298      -10.3949070       6.45393324    
 H   -7.96985149      -9.46143913       6.61681318    
 O   -7.27449274      -7.38053656       9.25036526    
 H   -6.33382082      -7.16074324       9.27927113    
 H   -7.35714626      -8.31097794       9.49521255    
 O  -0.928148568      -5.33838940       5.68137264    
 H   -1.69623113      -4.75266504       5.60157728    
 H  -0.975922763      -5.88692331       4.88837814    
 O   -7.30576324      -10.1686497       9.54700375    
 H   -7.73762178      -10.8677750       10.0292435    
 H   -7.48367691      -10.3236771       8.60119057    
 O   -2.54858923      -8.63057327       5.48440456    
 H   -3.05085921      -7.90303659       5.88352680    
 H   -2.16055799      -8.25191975       4.68680143    
 O   -4.54550362      -6.67788696       9.06914711    
 H   -3.67071652      -6.60191393       9.47091866    
 H   -4.41147614      -6.64760971       8.10529232    
 O   -5.34965611      -3.75096512       3.68113780    
 H   -5.96067858      -3.91044784       4.42508793    
 H   -5.75701332      -3.09595680       3.12172294    
 O   -4.89342260      -10.0162554       6.06389809    
 H   -4.02451372      -9.78502464       5.71060896    
 H   -4.79345369      -9.93094063       7.02511454    
 O   -8.37206841      -4.80285835       9.09078407    
 H   -7.52400827      -4.35149717       8.98915768    
 H   -8.14006615      -5.71611643       9.31054974    
 O   -3.43767095      -2.48032069       7.97060061    
 H   -3.20930123      -1.58119082       8.19033813    
 H   -2.65806508      -3.02872467       8.17492771    
 O  -0.887347937      -7.54097080       7.47519541    
 H   -1.33566666      -8.19806957       6.92997313    
 H  -0.795176506      -6.77276134       6.89494658    
 O   -1.33813155      -4.14658308       8.33651447    
 H   -1.47168660      -4.90782738       8.91471577    
 H  -0.990183175      -4.49513769       7.50760174    
          69
 Energy    -248.15540030268846     
  O     15.47910657      9.30310609    -16.81729993
  H     16.07086991      9.57032671    -16.10376113
  H     19.89426341      5.10166660    -15.70906535
  O     14.21095961      3.36542325    -16.01408695
  H     14.66337845      9.00850944    -16.39534895
  H     18.68000805      5.54240908    -17.62196574
  O     17.77182475      6.16401280    -11.55880632
  H     14.95651878      2.89405961    -16.40129599
  H     18.10834290      6.12698978    -16.31502337
  O     17.76301813      4.36762331    -18.66977333
  H     14.18492423      4.22241175    -16.46388524
  H     15.90954958      5.83037648    -15.80679724
  O     13.43961137      6.60330528    -10.53558564
  H     17.23122192      6.75441459    -12.10749543
  H     16.60650588      6.46825643    -14.56498576
  O     14.16164706      4.15653219    -13.39124158
  H     18.67010246      6.22973599    -11.90375436
  H     13.23082910      7.70107180    -14.76124974
  O     16.28215868      7.68635332    -13.23976841
  H     17.04342186      4.87975393    -19.04339474
  H     12.23760660      8.38285354    -15.72950868
  O     17.63484787      3.28848603    -14.65572601
  H     17.35487567      3.63767073    -18.18474787
  H     14.34788829      3.44424047    -10.05709480
  O     12.74792840      3.87045852    -11.03974326
  H     13.08983183      5.70305540    -10.56978373
  H     15.50422276      4.27496690     -9.47169242
  O     19.37284768      8.24765281    -15.03634868
  H     14.29815362      6.53365970    -10.10084447
  H     13.92201117      6.65421539    -16.61852912
  O     16.70003581      2.28346846    -17.01703773
  H     15.03971230      3.98523856    -13.02598551
  H     15.09485534      6.37264099    -17.60085120
  O     20.10598269      4.61013801    -14.90643457
  H     14.13774778      3.80079294    -14.29139363
  H     21.11420569      6.51420001    -12.58717298
  O     18.84658964      6.21151890    -16.94173189
  H     15.32443739      7.55867206    -13.22260392
  H     20.23192171      5.73509290    -13.58878687
  O     16.70402159      5.80499926    -15.25828411
  H     16.49222811      8.53109433    -13.65645250
  H     16.22648434      3.37359948    -11.29448674
  O     13.13622316      8.07075501    -15.65495060
  H     17.29181159      4.16628481    -14.89177611
  H     17.08905954      4.47641955    -11.95833713
  O     15.26418367      3.38444139     -9.75826038
  H     17.36307923      3.15388038    -13.73867729
  H     16.42921632      6.54774034     -8.61156033
  O     14.48067336      5.95488037    -16.97852808
  H     11.94498265      3.36370629    -11.12929204
  H     16.72312510      6.17072567    -10.07877626
  O     20.22324308      6.44460403    -12.92130665
  H     13.15749506      3.90349656    -11.92098096
  H     13.80773257      5.94909100    -13.40717907
  O     16.63558385      3.64044230    -12.12961645
  H     19.34867896      7.65645478    -15.79950289
  H     13.47538162      6.96025879    -12.28842766
  O     16.04783889      6.13387968     -9.38242761
  H     19.67973858      7.71797327    -14.29114905
  H     18.05160182      9.35118182    -14.82109115
  O     13.63863026      6.88797782    -13.24048244
  H     16.89618796      1.35994665    -17.15680864
  H     17.53696126     10.76320209    -14.44574372
  O     17.24896950      9.87836917    -14.65353278
  H     17.08854299      2.52502361    -16.15854599
  H     17.32318536      7.10333987    -18.08542431
  O     16.43277051      7.26138877    -18.41141589
  H     19.37373560      3.99106008    -14.78474722
  H     16.13215625      8.06957565    -17.96360026
          69
 Energy    -248.15522996691692     
  O     15.08218270      9.78979990    -10.36024621
  H     15.15513378     10.46119293    -11.05317760
  H     13.55763882      8.88657353     -9.89162182
  O     13.77871333     11.85808411    -15.90623168
  H     15.92839647      9.72750801     -9.90243884
  H     17.14205372      6.51056991    -15.20402736
  O     17.46321191     10.16974032    -13.72295173
  H     14.37985329     11.34244449    -16.45721786
  H     17.85595830      6.20366069    -13.88834847
  O     12.23473536      6.44438659    -13.40458646
  H     13.36253100     11.24139071    -15.28898662
  H     14.91581507     14.45635224    -14.40795954
  O     16.67701958      6.65798616     -8.92431111
  H     16.64186411     10.51187777    -13.34245409
  H     14.66561831     13.03417047    -14.96722286
  O     17.40110947     12.18591312    -15.67888784
  H     18.06655671     10.02701266    -12.98582380
  H     13.45597767      9.30925713    -14.20220309
  O     15.51605172      7.60761752    -12.10527345
  H     12.75996734      5.91222906    -12.79034806
  H     12.31864496      9.74952105    -13.25230231
  O     15.15026705     11.34648622    -12.64184945
  H     12.87267490      6.80894126    -14.03227503
  H     16.10736971     10.82960288    -18.30164125
  O     18.24212992      7.09319220    -12.32351439
  H     17.08467935      5.97076853     -9.47148999
  H     16.51940139     11.22028394    -16.86260480
  O     19.06568628      9.63971196    -11.41721435
  H     15.74785517      6.41654669     -8.84251779
  H     10.29533104      8.63063789    -12.15292319
  O     16.17544823      3.91514339    -12.96291948
  H     16.79293668     12.80358871    -15.25439735
  H     11.52925976      7.80959954    -12.59737520
  O     12.84027022      8.24498749     -9.79429817
  H     17.60404106     11.52006640    -15.00679508
  H     13.47854542      6.73771270     -9.21864161
  O     17.35090907      5.78819524    -14.60270340
  H     15.01123014      6.81948101    -11.86293193
  H     13.43201720      5.55646876     -8.21857416
  O     15.24452376     13.56206004    -14.38614627
  H     15.29875779      8.30565476    -11.47686455
  H     14.77115929      4.67590134    -12.02554382
  O     12.99735413     10.08729683    -13.84724644
  H     15.22770942     12.20503748    -13.07484806
  H     14.07910388      5.23821676    -10.71751154
  O     15.95088293     10.62451710    -17.38316623
  H     14.37016207     10.91677164    -13.02506815
  H     17.26786245      4.35550412    -11.37164747
  O     11.24902732      8.62802429    -12.14755282
  H     17.29308480      7.28978738    -12.25258970
  H     18.13129810      5.60449767    -11.24255268
  O     13.92243134      5.91045580     -8.95543977
  H     18.70511397      7.89549147    -12.06680105
  H     15.10212023      7.97473280    -15.20597205
  O     14.07156799      5.24780300    -11.68239536
  H     19.92463724      9.97807606    -11.17566933
  H     14.77377165      7.74516823    -13.72630857
  O     17.77538637      4.86367995    -10.73012573
  H     18.57147944      9.50894324    -10.59196140
  H     17.27003990      8.24871529     -9.05505316
  O     14.36379395      7.84954829    -14.59928991
  H     16.21180659      3.05966134    -13.38320660
  H     17.74465961      9.46991637     -8.23357188
  O     17.56120914      9.17821132     -9.12286220
  H     16.53843750      4.55061561    -13.60450650
  H     16.52783301      9.03352864    -16.50447881
  O     16.77707931      8.38537510    -15.83400400
  H     12.25169927      8.38652165    -10.54473341
  H     17.09077083      8.90246553    -15.07757871
          69
 Energy    -248.15513108245983     
  O     18.04296672     10.10380594     -9.26569867
  H     17.67780822     10.56248359    -10.03083734
  H     16.62132338      9.65057976     -6.39649007
  O     17.30397965      5.52492025     -9.38198388
  H     18.36441277      9.24705351     -9.59224462
  H     17.96790910     10.65909957    -12.17430455
  O     19.84127083      4.52636975    -12.10930928
  H     17.21751651      5.01970404    -10.20155076
  H     16.92649168     11.80471569    -12.21790582
  O     19.65914777      7.12505133    -12.78732425
  H     17.81965989      5.01855966     -8.74284642
  H     19.83984623     10.63968339     -8.91835135
  O     20.97535689      7.91499882     -8.14877796
  H     20.21766642      4.38497897    -11.22720479
  H     21.00521693      9.75035552     -8.46529219
  O     16.96491999      4.45689752    -11.90167936
  H     18.92298043      4.23832120    -12.06697583
  H     21.58862773      4.98264227     -9.44242065
  O     22.22971229      7.78846699    -11.65864925
  H     19.85743621      6.19042413    -12.60537694
  H     20.32106897      4.39619015     -8.77261792
  O     18.94205202      7.04499589     -6.45209312
  H     18.74404177      7.12884425    -13.10636764
  H     14.63217055      5.09843682    -14.02436296
  O     13.72341667      6.57103262    -11.04917576
  H     21.74476850      7.40149120     -8.42201700
  H     14.90760203      5.12308655    -15.53655909
  O     22.90722799      6.36716266     -9.44429494
  H     20.31639944      7.79232197     -8.85046903
  H     16.05346488      9.47959539    -11.64706284
  O     18.97795934      7.64255950    -10.07137901
  H     17.04109400      5.29832360    -12.37630161
  H     15.65103634      8.34222243    -10.66031483
  O     16.87916681      9.00301254     -7.04816474
  H     16.05402169      4.17316129    -12.03654325
  H     16.34197354      6.56518341    -13.93091527
  O     17.14851687     10.99521646    -11.76652723
  H     21.46299215      7.53242451    -12.18327873
  H     16.50774451      7.52696787    -12.71327459
  O     20.80238075     10.61637630     -8.84632730
  H     22.18253984      8.74853169    -11.56679199
  H     22.48490406     11.28521709    -11.45248808
  O     20.87526354      4.34387377     -9.55915711
  H     19.71966643      7.41551375     -6.89430467
  H     21.50727709     10.64914220    -10.43458818
  O     14.99828685      5.63998933    -14.73926985
  H     18.22488472      7.67412181     -6.58602289
  H     16.05119645      6.73111155     -9.07380795
  O     15.63410837      8.61351737    -11.58910651
  H     14.07032707      6.71929275    -10.15997034
  H     15.76464678      7.99713391     -8.24036704
  O     16.98012970      6.91179678    -13.29263671
  H     14.09632699      7.30469057    -11.55314116
  H     20.28180488     10.28373297    -12.32263822
  O     21.84191355     10.58937270    -11.34695804
  H     23.83641133      6.15531051     -9.46290376
  H     19.56767670      9.05397873    -12.91316901
  O     15.43629113      7.47570837     -8.98010082
  H     22.71174482      6.84508494    -10.27066119
  H     18.95980967      5.39185365     -6.98504805
  O     19.46206368      9.99718975    -12.74611761
  H     18.42148116      6.89444363     -9.81761090
  H     18.91830172      3.87208082     -6.69267522
  O     18.97467780      4.50986184     -7.39880063
  H     19.25695360      7.49419394    -10.98159162
  H     13.95357651      5.06031733    -11.89328055
  O     14.16043021      4.26147116    -12.41172733
  H     17.28398725      9.49326630     -7.78424413
  H     13.48099396      3.62291713    -12.21363553
          69
 Energy    -248.15505317987245     
  O     11.44389298     10.96457215    -11.35802171
  H     10.84699127     10.71318635    -12.07443328
  H     17.30302188      6.28225852    -15.63366523
  O     13.43305685      7.49698512    -15.29456087
  H     12.27037897     11.22927826    -11.78067626
  H     15.99934314     13.53319156    -14.63886566
  O     18.27024190      9.10755481    -16.98229057
  H     14.21236406      7.93782808    -14.91682055
  H     16.28640084     12.01471495    -14.71593707
  O     12.30674414      9.99300341    -14.85428561
  H     13.72045425      7.14293749    -16.14421912
  H     15.48975371      8.90613604    -13.22821051
  O     15.70472597      5.67737320    -10.23128607
  H     18.01078103      8.18249760    -16.82191639
  H     16.16046328      9.30554149    -14.55852455
  O     12.85551037      6.29137025    -12.87325634
  H     19.02769906      9.08261306    -17.56090524
  H     11.39252164      9.64196202    -10.22343570
  O     15.43780129      9.53538001    -11.51568378
  H     11.41639904      9.94393744    -14.48561304
  H     10.93032104      9.03871741     -8.87332610
  O     15.53312794      9.31893828    -17.97126280
  H     12.57819838      9.09043042    -15.07173826
  H     10.63450375      7.80869003    -11.19632290
  O     14.96214056      4.44672470    -12.53133585
  H     14.99376269      6.32599499    -10.13507016
  H     11.16066028      6.95345948    -12.37084381
  O     17.40994619     10.67420186    -14.86676288
  H     16.49806387      6.18880117    -10.43470574
  H     18.45007729      9.24138885    -12.02011832
  O     14.70954346      6.78121669    -17.67637966
  H     12.98364775      6.66607166    -13.75636481
  H     17.32619991     10.25508416    -11.88197856
  O     17.36090481      6.58456968    -16.54905085
  H     13.46946099      5.55043490    -12.79723451
  H     16.20301367      5.53199301    -13.48280473
  O     15.58443840     12.67616969    -14.58560703
  H     14.84227434      8.90744374    -11.08049807
  H     16.37881027      7.00022700    -13.97523043
  O     15.61187186      8.62891796    -14.14516518
  H     14.87721018     10.23183334    -11.89062381
  H     16.91770348      8.12918413    -11.38845370
  O     11.34721360      8.81998465     -9.70198196
  H     15.04282438     10.04247851    -17.55321524
  H     17.50684514      6.97599431    -12.23312147
  O     10.41198323      7.49026055    -12.07993169
  H     16.45787755      9.41947718    -17.72514281
  H     13.37881554     10.89429595    -16.11495440
  O     18.19724199     10.13486206    -12.27956437
  H     15.24142447      4.78531605    -11.66121609
  H     14.56223424     11.87046584    -16.02991833
  O     16.84999821      6.16853785    -13.81075266
  H     14.99744467      3.49507769    -12.48279242
  H     13.39694102      7.20783816    -11.38373799
  O     17.61192500      7.45854702    -11.40014033
  H     17.84666309     10.19284397    -15.58117102
  H     12.92973007      8.01020484    -10.13785782
  O     14.10625374     11.26904063    -16.62841278
  H     17.85710324     10.48525471    -14.02782196
  H     14.38694410     11.89800817    -13.37726582
  O     13.70594755      7.63318072    -10.57041268
  H     14.96030376      7.70974620    -17.84552550
  H     13.31897377     10.79689295    -13.56151099
  O     13.81648714     11.28975647    -12.89131768
  H     14.44719014      6.41030954    -18.51434112
  H      8.97293971      9.83003712    -13.69376783
  O      9.89459736      9.76876021    -13.45846074
  H     16.47298650      6.50776711    -16.91952193
  H     10.01838515      8.90964119    -13.01604838
          69
 Energy    -248.15502418942435     
  O     10.14552012     10.69989409    -10.83466854
  H     10.84268407     11.25391947    -10.45037617
  H     13.32857127     14.04785408    -15.53234426
  O     14.35649338     10.77816759    -12.97966822
  H      9.47840499     10.59062741    -10.16072716
  H     16.56787337     11.69094905    -16.30439346
  O     16.61543221     13.39032297    -13.80796407
  H     15.16476994     11.11301660    -12.56894657
  H     17.94797248     12.15789164    -16.82070945
  O     16.35379048      7.72871329    -11.93731131
  H     13.69304546     11.47252483    -12.88911900
  H     12.13650876     13.07169986     -9.22686302
  O     10.32497082     11.51039218    -13.52451932
  H     17.04944454     12.91666967    -14.52761829
  H     13.01744758     11.92177188     -9.77034244
  O     11.98268897     14.31841822    -16.81317971
  H     15.75418044     13.65218735    -14.15683669
  H     17.91862474     10.22292410    -15.15781004
  O     14.80375179     11.51227196    -16.48236244
  H     16.22012077      7.47445844    -12.85797320
  H     18.22278290      9.56750038    -13.78457066
  O     12.54741150     12.88191041    -12.67579716
  H     15.48066080      7.94120911    -11.58044318
  H     15.23757794     11.39390036    -10.19826604
  O     14.11947865      9.19183290    -15.13993803
  H     10.07273358     11.24295670    -12.63271943
  H     14.31849809     10.16690981     -9.97966567
  O     18.25607978      9.64697348    -11.88127407
  H     10.69774441     10.72873212    -13.96117980
  H     11.00412513      9.52223659    -15.71136139
  O     10.41238902     10.37180972    -17.28768306
  H     12.19713358     13.55463731    -17.37956770
  H     12.32002208      9.18929870    -14.97385009
  O     13.97162778     13.69330004    -14.90551775
  H     11.87568745     15.06886575    -17.39203228
  H     16.55616314      6.62229044    -15.26125050
  O     17.49823399     11.81647582    -16.05157467
  H     14.56001590     10.66052566    -16.09233641
  H     16.90537409      8.06929476    -14.83090997
  O     12.17714777     12.39865763     -9.90109120
  H     14.50791747     12.21082623    -15.87966033
  H     13.42111450     11.77081750    -17.72188145
  O     18.03601049      9.37558722    -14.71194388
  H     12.46453875     12.88077335    -11.71562173
  H     11.94426273     11.36509700    -17.95457022
  O     14.49600495     11.06640546     -9.67175020
  H     11.73721160     12.48445436    -13.02826488
  H     10.85443982      9.07286325    -11.65608930
  O     11.36778580      9.30490344    -14.84363739
  H     14.25021675      9.73934628    -14.34696992
  H     11.24586661      8.51635801    -13.04019650
  O     16.21597978      7.38032360    -14.79391580
  H     14.76126406      8.47363379    -15.09132459
  H     16.63149812     12.46028956    -12.26624536
  O     12.60190999     12.04072517    -18.15868982
  H     17.59560750      8.93124337    -11.82820524
  H     17.19314817     11.14010734    -11.63836789
  O     11.29913847      8.33737656    -12.09352714
  H     18.99649517      9.37910195    -11.34361240
  H      9.84047873     12.40989857    -15.08077256
  O     16.49511354     11.80419295    -11.56522896
  H      9.72673176     10.06839760    -17.87727239
  H     10.43336535     13.33865713    -16.17278841
  O      9.74978196     12.67890055    -16.00540784
  H     10.08938945     11.19717560    -16.88252842
  H     14.04316803      9.45212357    -11.79695838
  O     13.87496169      8.74700941    -11.15325130
  H     13.48355374     13.51354280    -14.08943940
  H     12.99212338      8.42131700    -11.37248956
          69
 Energy    -248.15494202778660     
  O     -0.44303921      2.86496330      3.17229020
  H     -1.01398888      2.69145117      2.41155531
  H      1.31203973      4.13637444      0.41824658
  O     -3.30659422      5.10229179      0.12058562
  H     -0.64742610      3.76921314      3.44055919
  H     -0.36087344      3.22982058     -2.51329712
  O      3.33985871      5.97677001      0.31225419
  H     -3.29845670      5.77998154      0.80520989
  H     -1.43074732      3.45967059     -3.61271049
  O      1.52709604      7.75428130      1.52178986
  H     -2.70524107      5.42011368     -0.57160128
  H     -0.46093792      9.21388005     -2.53607707
  O     -1.37659985      5.89961550     -1.63491012
  H      3.08712614      6.41468334     -0.51767203
  H     -0.54840768      8.65698721     -1.09353069
  O      0.11572559      5.44900078      0.68789390
  H      3.05054977      5.06150688      0.20193375
  H     -2.37853299      1.14375469     -2.91347576
  O     -2.81603104      7.11833599      2.08927967
  H      2.28276964      7.29951215      1.12413276
  H     -1.25238722      0.94944359     -1.88089639
  O     -0.10177395      2.21520462     -1.05042042
  H      1.56878053      7.59469561      2.47319149
  H      3.51375112      5.46066645      2.17977518
  O     -0.80549900      5.66328803      3.27117797
  H     -1.04194465      6.76378850     -1.90567881
  H      3.03425232      4.27799000      3.06277548
  O     -2.07703783      2.68020382      0.89144362
  H     -1.09888245      5.24263541     -2.28594916
  H     -4.48512190      2.41687644     -1.10440597
  O     -0.90320717      8.78987099      0.60469459
  H     -0.39436237      5.59922574     -0.11750662
  H     -4.26623378      3.94086698     -1.01985638
  O      1.99917553      3.46760021      0.25976570
  H      0.62692220      6.25219423      0.85547854
  H     -3.66784577      2.66236900     -4.62146720
  O     -0.59658760      3.79684841     -3.26328089
  H     -2.16828898      6.62324571      2.61840811
  H     -3.64379392      2.93981839     -3.09991741
  O     -0.30026009      8.43589723     -2.00924399
  H     -3.41919788      7.52649617      2.70617152
  H      2.52439508      1.76055912      3.31719029
  O     -2.05750257      0.54284911     -2.22946659
  H      0.74876063      2.50098950     -0.69349226
  H      1.27416489      2.63232304      3.04572654
  O      3.33051650      5.19684757      3.09024252
  H     -0.76014498      2.39967021     -0.36492000
  H      2.30859018      4.59767188     -4.46934006
  O     -4.53474762      3.23225833     -1.61883506
  H     -0.06423576      6.08797652      3.72129189
  H      0.93509808      4.64579335     -3.78704897
  O     -3.09339520      2.68134051     -3.86087316
  H     -0.50610438      5.47276740      2.36589238
  H      2.23652746      6.24961051      3.89846451
  O      2.23673024      2.57185808      2.90773584
  H     -2.48595921      3.53342851      0.69205648
  H      1.90121503      7.27801612      5.00806618
  O      1.74841940      5.15217003     -3.93095599
  H     -2.72044471      1.99940852      0.65684865
  H     -4.29870506      0.00656987      0.03254302
  O      1.55797850      6.87436898      4.21594777
  H     -0.04654601      8.55766631      0.99191154
  H     -3.24479321      0.59988376     -0.93550149
  O     -3.86752931      0.81838691     -0.21869083
  H     -1.56868709      8.27326944      1.07140955
  H      1.47177844      7.60939504     -1.96395592
  O      2.25632991      7.05208180     -1.94404835
  H      2.16496279      3.04408106      1.11178156
  H      2.13844248      6.40788057     -2.65692163
          69
 Energy    -248.15487581038349     
  O     17.67749421      9.19176155    -13.31016053
  H     18.18793788      8.53900459    -13.82113763
  H     15.68559404      6.99985159    -16.12333599
  O     16.51488338      1.69874705    -12.69632895
  H     18.12073159     10.02953063    -13.41551417
  H     18.17018544      1.50499714    -12.20376878
  O     20.86564108      5.77904884    -13.44766426
  H     16.45601665      2.05853920    -13.58668362
  H     19.33826326      0.77149133    -11.49760394
  O     14.49423515      4.01903002    -16.20067940
  H     15.97506270      2.26298147    -12.12708344
  H     13.54895178      7.54673366     -9.47989682
  O     18.57337530      5.25025161    -16.66798272
  H     20.41907260      5.26328906    -12.76221335
  H     12.97837623      6.13191350     -9.67302294
  O     13.43108667      4.36894101     -9.05901818
  H     21.04239285      5.17447255    -14.17943065
  H     19.23414187      3.36811068    -11.67441878
  O     16.33363082      7.82481312    -11.24410721
  H     13.82611307      3.81212168    -16.84741756
  H     18.59346420      4.62229642    -10.98109641
  O     19.57284122      2.06395544    -14.80298699
  H     14.90413204      4.86304436    -16.47138958
  H     15.51541504      5.07045108    -13.50772608
  O     17.12150795      5.32856801    -10.17477104
  H     18.01592170      4.51046852    -16.40169604
  H     14.36501248      4.52609330    -14.39469690
  O     17.30546756      5.18410948    -13.53022499
  H     19.47770551      4.94061765    -16.51799950
  H     19.67257133      6.82402018    -14.19912361
  O     21.02156763      4.11901565    -15.79260856
  H     12.85470363      3.67133620     -8.75694548
  H     18.80874360      6.70423749    -15.48357830
  O     15.81194537      6.28056699    -16.76189031
  H     13.96123524      3.99872696     -9.78360266
  H     13.99805628      6.44472964    -12.89814827
  O     19.12629492      1.54071892    -12.01922618
  H     16.87949037      8.33374729    -11.85477847
  H     13.42312005      7.27954468    -11.71794216
  O     12.91796064      7.03685868    -10.00260640
  H     15.49835489      7.65052962    -11.70375238
  H     15.84847636      4.15914356    -10.81528336
  O     19.20127598      4.33282585    -11.67734906
  H     18.66080695      2.25535090    -15.05847645
  H     14.77830043      4.00730793    -11.93652994
  O     14.57154743      4.84080916    -13.50765748
  H     19.54351416      1.81835014    -13.87092988
  H     16.12207185      3.25615704    -15.69463536
  O     18.91738476      7.21254093    -14.67121703
  H     16.76844337      5.38570387     -9.27525605
  H     17.13803278      3.83037939    -14.66773599
  O     13.92239713      7.34256227    -12.54528295
  H     16.93259308      6.17529333    -10.60198554
  H     14.88712374      5.20978828     -8.08884682
  O     15.11304085      3.60707230    -11.11999321
  H     17.92947863      4.84527960    -12.87431548
  H     15.51447168      6.61253903     -7.98728129
  O     16.99034775      3.10687731    -15.29927237
  H     17.72673232      5.94943492    -13.93727501
  H     15.32309829      9.21812530     -8.46001516
  O     15.69950676      5.67400403     -7.85084379
  H     21.80457740      3.81540401    -16.24422329
  H     15.65701853      8.24770494     -9.61557390
  O     15.17852604      8.32910500     -8.77387009
  H     20.57401538      3.32841251    -15.44047650
  H     16.13107775      8.66787871    -14.37440291
  O     15.41104170      8.19504696    -14.80527777
  H     16.75558896      6.19438174    -16.92113371
  H     14.76468797      8.02256624    -14.10859484
          69
 Energy    -248.15468377722843     
  O     11.99068244     12.43229185    -12.43587107
  H     11.61153877     11.55369814    -12.56385480
  H     20.45767334      7.98134765    -14.29068118
  O     19.83319879      7.42438474    -11.15993407
  H     12.35796936     12.43701706    -11.54309084
  H     17.72778099     12.64891552    -15.43331143
  O     17.47587486     11.02817742    -11.17161574
  H     19.05557020      7.77884742    -10.71279786
  H     18.46367197     12.35682270    -14.11490106
  O     12.81985400      7.64317440    -13.96613521
  H     19.50921495      6.70989473    -11.72320570
  H     16.02721358     10.75132101    -12.24825990
  O     16.38769338      7.03078332    -12.48611036
  H     18.11678176     10.97751794    -11.89528757
  H     14.89265766     11.27469450    -13.19468273
  O     13.74163750      6.82880744    -11.43306459
  H     17.46031461     10.16072803    -10.74695529
  H     14.71018045     10.09802273    -15.88402945
  O     18.72913741      5.66104389    -13.13856804
  H     13.03820803      7.20416585    -13.13070090
  H     14.41950822     11.59020277    -15.59581371
  O     14.12424157     12.62695819    -14.12350357
  H     12.19959064      8.34024868    -13.72774743
  H     20.79325206      8.47728665    -12.17805431
  O     17.86066847      9.28706166    -15.46726968
  H     17.13124665      6.47169574    -12.74719047
  H     22.15014287      9.09690858    -12.59404095
  O     17.28406578      8.38244162    -10.26600043
  H     16.06144913      7.47003878    -13.28052665
  H     16.77983683     13.97353606    -13.70562932
  O     17.26215748     11.60226730    -16.95506137
  H     14.66351924      6.74266892    -11.70755341
  H     16.20982519     15.37760034    -13.39254484
  O     19.86393549      7.44050363    -14.82534787
  H     13.65731847      7.71850060    -11.06467821
  H     15.84560078     13.68944552    -11.50640029
  O     17.94199392     13.02818266    -14.57225319
  H     19.14018783      6.23612988    -13.80945116
  H     16.43277611     12.49585368    -10.72826571
  O     15.26020785     10.48747263    -12.77050695
  H     18.92328997      4.76121942    -13.38586432
  H     14.18974394     12.60281445    -10.15297699
  O     14.72894707     10.97536043    -16.27787800
  H     14.69212279     13.36210785    -13.86301206
  H     13.07618166     12.71583856     -9.08779976
  O     21.23446222      9.02808693    -12.84961444
  H     13.31287190     12.66294868    -13.59432662
  H     18.62580069     10.20999896    -14.05989893
  O     16.06973043     14.44761613    -13.23580847
  H     17.75220295     10.02751014    -16.07775147
  H     19.91106244     10.27186438    -13.19887999
  O     15.73929318     13.16910069    -10.70105543
  H     16.97556936      8.94976337    -15.27473564
  H     10.49629486      9.26921077    -12.13117379
  O     13.32305697     12.24960840     -9.88188193
  H     16.74870149      8.10341357     -9.52647034
  H     11.99075886      9.56868751    -11.88797827
  O     19.08753227     10.73626689    -13.39191814
  H     16.92386302      7.93733774    -11.05169090
  H     14.11538098      9.83703177    -11.54246594
  O     11.27099806      9.65606830    -12.53450763
  H     16.31795883     11.42652431    -16.78800884
  H     13.38446732     10.41898033    -10.32546448
  O     13.48846857      9.60812251    -10.83878743
  H     17.34355817     11.82825646    -17.87750053
  H     15.31879094      9.26758440    -13.98205605
  O     15.28993587      8.55271602    -14.64153706
  H     19.19976359      8.04503200    -15.18490508
  H     14.41182953      8.14879519    -14.56366124
          69
 Energy    -248.15461128835710     
  O      1.61149580     -0.12366811      4.50515472
  H      1.26855927     -0.93313857      4.90580697
  H     -2.57611290      2.15254636      1.09014114
  O     -0.28929090      0.16454865     -2.55415079
  H      0.85048296      0.45572082      4.38851006
  H     -2.31644599     -0.63603477      5.96028097
  O      0.44704180     -2.47343350      5.62922202
  H     -0.32508044      0.38954505     -3.47993506
  H     -2.69414522     -2.01947615      5.37014849
  O      2.73937090     -2.69812044     -1.65598166
  H      0.52244181      0.56676266     -2.19493613
  H     -1.32123840      0.83979414     -1.14238461
  O      3.92742501     -0.48658319     -0.35034628
  H      0.76412208     -2.82447982      6.45781084
  H     -0.85016170      1.16532243      0.28568525
  O     -4.54750862      1.18637720      3.76741807
  H     -0.45758695     -2.15066758      5.79211934
  H     -2.28968433     -0.82946582      1.80576696
  O     -2.35606373     -4.67610035      2.24113352
  H      3.20276163     -1.95716404     -1.23929511
  H     -2.17407848     -1.54587495      3.16190687
  O     -0.78884917      1.34268665      3.71981360
  H      3.34814061     -3.43331876     -1.63561723
  H     -0.17589056     -1.56172983     -1.80306068
  O      1.84755213      1.25914173     -1.29441086
  H      4.82710858     -0.18905564     -0.24181391
  H      0.93337305     -2.60752518     -1.54563798
  O     -5.39440485     -1.17764957      2.37775610
  H      3.52865769     -0.50641670      0.53810423
  H      2.41694059     -0.37645004      2.91853043
  O     -3.52084431     -2.68149972      3.86377639
  H     -4.92950403      0.40541162      3.35379315
  H      1.89190287     -1.22702567      1.73735141
  O     -2.85838953      2.46269149      1.95825513
  H     -4.10346692      1.68030791      3.06197767
  H     -3.01193749      1.77567722      6.45436721
  O     -2.07365312     -1.56930912      5.95990691
  H     -1.48274002     -4.54500089      2.65285659
  H     -3.43962449      1.19101030      5.08614294
  O     -1.64142097      1.07995699     -0.26444756
  H     -2.51778028     -5.61619228      2.23655709
  H      0.28316875      1.68362804      2.14777912
  O     -1.69260276     -0.97554828      2.55076624
  H     -1.07655721      0.51272028      3.30231811
  H      1.34210026      0.78360583      1.49818392
  O      0.00551586     -2.40047220     -1.36089360
  H     -1.33607438      1.43894178      4.50948888
  H      0.21580792     -3.62462894      4.13731768
  O      2.54964103     -0.55394133      1.97647735
  H      2.61611755      0.71658037     -1.08236883
  H      0.37205740     -3.54033492      2.60623709
  O     -2.72331760      1.20440114      5.74792934
  H      1.49678547      1.56351973     -0.44731467
  H     -0.26647325     -1.75968099      1.77558765
  O      0.69037810      1.47051560      1.30027594
  H     -6.26841588     -1.32673275      2.02667367
  H      0.31308957     -2.27564338      0.42174308
  O      0.05753651     -4.11279085      3.32055779
  H     -4.80896838     -1.01590652      1.61652051
  H     -1.63581301     -3.10886967     -0.69632237
  O      0.49432523     -2.19774083      1.36641601
  H     -3.24083949     -3.43038512      3.32094486
  H     -2.36818180     -3.75306745      0.51957658
  O     -2.49641682     -3.21580799     -0.27114496
  H     -4.25771905     -2.25047232      3.41148790
  H     -2.97996215     -0.11829568      0.06678461
  O     -3.54202068     -0.81506333      0.42885450
  H     -2.11759777      2.28289512      2.54876802
  H     -3.22877573     -1.66984438      0.08966608
          69
 Energy    -248.15449165373380     
  O      2.45337477     -0.95734623      5.10442673
  H      2.10996543     -1.25406810      4.25104109
  H     -1.27248659      1.77643962      1.58820145
  O      2.44788269      3.11729920      7.24254373
  H      2.43704343      0.00950410      5.07810876
  H     -0.86224801      2.31676610      3.88768953
  O     -2.71410607     -3.83848445      6.01290980
  H      1.49331587      3.18238532      7.39071459
  H     -1.34092410      1.28795521      4.95299991
  O     -2.10087558     -1.25859390      9.27117537
  H      2.80350853      2.69449812      8.02270682
  H     -1.78195079     -0.07555624     -0.01678105
  O      1.97914266     -4.87850947      6.21109245
  H     -1.91973932     -3.95702609      6.55444239
  H     -1.89028013     -0.37897301      1.48665256
  O      1.16799223     -1.54214218      2.68938315
  H     -3.17687431     -3.07834707      6.38119200
  H     -1.02990974      3.68228781      7.62253471
  O      0.94873310     -4.13294738      3.81573956
  H     -1.44556655     -0.56272184      9.12657683
  H     -0.59025779      2.77340506      6.45139373
  O      3.11051013     -2.48408253      7.36109267
  H     -1.60831242     -1.99674980      9.64788720
  H      0.92111658      1.61909065      1.96298684
  O      1.75120775     -1.54955618      9.60603891
  H      1.66450252     -4.61878443      5.32611574
  H      2.05132562      1.41186103      2.97392656
  O     -0.23630329     -3.27788011     10.13408568
  H      2.44895657     -5.70096593      6.10333354
  H     -0.05850303     -2.22219308      6.76871333
  O     -1.67292375     -1.54178695      2.81617231
  H      1.43487288     -0.67351383      2.35426958
  H      0.90569943     -1.27050425      5.98264312
  O     -0.83138258      2.51084242      2.04940088
  H      0.20310564     -1.52317118      2.73225694
  H     -2.37224111     -4.98337562      3.11407686
  O     -0.80488507      2.08377117      4.82300797
  H     -0.00136702     -4.25467759      3.70049384
  H     -2.23908949     -4.11889922      4.39153233
  O     -1.92333575      0.33747796      0.83168440
  H      1.17037395     -3.32452268      3.33703249
  H      0.05577914     -0.13844414      7.75924082
  O     -0.38689706      3.02514314      7.36804891
  H      3.07697295     -1.91099955      6.58332700
  H     -0.13241131      1.33681655      8.20820443
  O      1.72640284      1.11202599      2.11412091
  H      2.83747622     -3.35072588      7.03908995
  H     -3.23243069     -1.38964878      7.95257337
  O      0.04446482     -1.33002057      6.41518825
  H      1.29693044     -0.74377988      9.33164898
  H     -4.71147621     -1.36124164      7.50488192
  O     -1.90306096     -4.24089388      3.48446321
  H      2.28671830     -1.84597312      8.85420576
  H      0.46419829     -4.35964069      7.11087244
  O      0.02082866      0.44457891      8.53450711
  H      0.52353031     -2.67601015     10.02108484
  H     -0.28118731     -3.82460002      8.38467530
  O     -3.82045021     -1.45128501      7.17811722
  H     -0.12218771     -3.71309447     10.97376338
  H      1.07106460      1.82642423      4.83629279
  O     -0.33983267     -3.92671435      7.42600172
  H     -1.81670648     -2.48694586      2.95090873
  H      2.33265240      2.27918474      5.61186981
  O      2.03542640      1.76440795      4.85037452
  H     -1.91661061     -1.09855475      3.64119007
  H     -1.33898420     -0.69232514      5.62264923
  O     -2.14218268     -0.29499827      5.24404570
  H     -0.97909497      3.29380312      1.52490224
  H     -2.86278921     -0.57097399      5.82149184
          69
 Energy    -248.15448499500337     
  O     16.85731007     12.21372371    -13.42313206
  H     15.94575386     12.48385217    -13.26137837
  H     18.02021436      7.47948353    -10.39976612
  O     15.75015506      6.45974036    -12.25529728
  H     17.14070822     11.73896451    -12.63006460
  H     11.88149659      6.02552406     -9.07344741
  O     12.03024537      8.03691384    -13.87517535
  H     16.01687697      6.49714821    -13.18334279
  H     13.41371648      6.21170696     -9.14732279
  O     13.42242769      9.13341326     -9.78836531
  H     14.81500262      6.20779879    -12.24531131
  H     13.55853951     11.01921318    -10.06513954
  O     19.25684035      8.45070645    -11.51578777
  H     12.50284064      8.87506540    -13.94577918
  H     14.76809085     11.89335681     -9.70052657
  O     13.93248861      8.04010342    -18.01325135
  H     11.96198829      7.68808377    -14.77295953
  H     14.50841372      9.15571851    -11.24178551
  O     16.19516461      6.76147604    -14.97962469
  H     12.95682552      8.29000565     -9.77543740
  H     15.39658531      8.21556750    -12.10557975
  O     13.77461935     10.27635636    -14.01021558
  H     14.18599365      9.03414011     -9.19813696
  H     17.41693422     11.25235817    -14.74962359
  O     15.77493756      8.84144717     -8.34609900
  H     20.20196865      8.33065927    -11.48448014
  H     18.32531428     11.16141568    -15.99831158
  O     13.91613974      5.19983057    -15.01249948
  H     18.98898181      8.31374260    -12.44337344
  H     18.27531748      9.06000736    -14.54615112
  O     14.99701304      6.13936390     -8.32501437
  H     14.46949159      8.53457858    -17.37266146
  H     17.79455473      7.59983450    -14.42544655
  O     17.22262362      7.08938648    -10.02531858
  H     14.54487709      7.69671598    -18.65958148
  H     12.65044877      6.73490842    -12.84232765
  O     12.57743233      6.40384564     -9.60534532
  H     15.87403169      7.59754292    -15.34221636
  H     12.77810769      6.04445964    -11.45108129
  O     13.96313178     11.88031426    -10.23172896
  H     15.47272426      6.12436719    -15.08869350
  H     11.27633091      6.58731878    -16.98409553
  O     15.16101124      9.13991303    -11.95512980
  H     13.73419826     11.20346317    -13.75238441
  H     12.66575660      7.25864451    -17.06486822
  O     17.73676411     10.65248224    -15.44723388
  H     14.29760454      9.84438023    -13.31531808
  H     17.07066355     12.18698534     -8.49088319
  O     18.43801303      8.23116097    -14.07969144
  H     16.08766032      9.75269084     -8.36876553
  H     16.90519107     11.25589789     -9.71765060
  O     13.05268708      5.98558026    -12.37267232
  H     16.33646730      8.32445219     -8.94550690
  H     14.74853255      9.65536459    -15.37850966
  O     12.04168147      6.81816084    -16.46384872
  H     13.25186423      5.63781567    -15.55891923
  H     16.18979931      9.76804472    -15.93964182
  O     16.49038727     11.54049029     -8.88417132
  H     13.57931921      5.25404180    -14.10920927
  H     14.03573828     12.49684524    -11.87409508
  O     15.36663036      9.27076779    -16.01725361
  H     15.78862507      5.99919760     -8.85511768
  H     13.65499766     13.63667760    -12.84443219
  O     14.11714961     12.80411323    -12.79439899
  H     15.12406510      7.03245602     -7.97702672
  H     18.14313098      9.91482725    -11.28988542
  O     17.41291105     10.54302234    -11.23927217
  H     16.71696339      6.77609394    -10.79123734
  H     16.61329549     10.06132627    -11.50743330
          69
 Energy    -248.15444251311794     
  O     13.28460888      6.12338414    -16.01034601
  H     13.54906884      5.21727227    -15.80393421
  H     18.65429198      9.39148864    -10.42975606
  O     16.96782765      6.23523482    -12.06193594
  H     14.10547577      6.60993628    -16.14999344
  H     17.84114396     11.63362393    -13.85384501
  O     14.33047060      9.98865656    -10.63164082
  H     16.79404891      5.79408530    -12.90987114
  H     16.66529023     11.58894015    -14.83777353
  O     19.32407277      7.73282968    -13.07888510
  H     16.74110153      7.17507546    -12.14038511
  H     15.71589826      9.27812187    -11.55527577
  O     14.08642525      3.58897272    -14.97007978
  H     14.51111930      9.64522641     -9.74609945
  H     17.22689043      9.27192113    -11.93309966
  O     14.19524404      6.00912981    -11.27073450
  H     13.65923657      9.43369987    -11.04995772
  H     10.53591907      6.74433741    -14.54830613
  O     14.63022784      9.36950203    -14.23974629
  H     19.01265870      8.03273601    -13.94332139
  H     12.04115544      6.53324448    -14.83227565
  O     17.75321456      5.78211724     -9.47962421
  H     18.72329641      7.02947145    -12.81424988
  H     14.92182614      9.12969293     -7.29495939
  O     15.06940964      6.25362062     -8.62340992
  H     13.53809622      3.76850383    -14.18540367
  H     15.06831180      7.95103860     -8.28786936
  O     18.32484775      8.79366817    -15.55763129
  H     13.93777752      2.67854927    -15.20929542
  H     12.00503152      5.05718668    -13.22657848
  O     16.36677710      5.18474355    -14.43680729
  H     15.10434983      6.00011233    -11.59162827
  H     13.12018798      4.79167624    -12.20329786
  O     18.89049168      9.77953457    -11.28670142
  H     13.77733334      6.80550384    -11.62779751
  H     18.71149766     12.92514268    -11.78925563
  O     17.56455332     11.26749275    -14.70248577
  H     14.58364815     10.30570815    -14.46766073
  H     18.46868762     11.39950217    -11.72605992
  O     16.36418353      8.91441057    -12.17368032
  H     15.35777674      9.26822597    -13.60470237
  H     17.05010416      8.81154911     -8.69652769
  O     11.38414960      6.65251260    -14.12266762
  H     17.52363703      5.86835190    -10.42078218
  H     17.96209592      7.63450597     -9.08430972
  O     15.15779698      8.91666534     -8.19406044
  H     18.39276609      5.07755886     -9.41504772
  H     16.20347902     12.31716656    -11.86817498
  O     12.56035689      4.35732537    -12.86112358
  H     14.61482393      6.09194964     -9.46183936
  H     14.89152600     11.61129724    -11.42249132
  O     18.10777500     12.23886152    -12.06155823
  H     15.97979204      5.96498055     -8.76364285
  H     16.68909670      7.87543186    -15.93222638
  O     17.93322296      8.59724905     -9.01736215
  H     18.96566116      8.91905471    -16.25401402
  H     15.28940169      8.16013846    -15.37661482
  O     15.24263985     12.32938725    -11.96467722
  H     18.05768369      9.68335376    -15.26576715
  H     13.45974153      8.66065981    -13.06740117
  O     15.79385303      7.51722156    -15.89796996
  H     15.66577113      4.54708203    -14.61556673
  H     12.23957610      7.75114648    -12.86509747
  O     12.91138557      8.24877379    -12.38230550
  H     16.18034719      5.95504624    -14.99098681
  H     14.91066223     12.26913083    -13.66330280
  O     14.82786166     12.11817732    -14.62336002
  H     19.23040324      9.08087363    -11.86456260
  H     14.33222743     12.84978710    -14.97913199
          69
 Energy    -248.15425236476949     
  O     18.57012930     11.05473829     -8.04164062
  H     18.60719437     11.85988146     -7.53230934
  H     18.71569377      9.36942291     -7.08047540
  O     18.92998560      5.52525978     -9.44943879
  H     19.20755835     11.15486089     -8.77186046
  H     17.30665586     10.33622795     -9.14874002
  O     18.50227668      4.30519632    -13.19920899
  H     18.29664381      4.94723913     -9.89504620
  H     16.17030890      9.27985054     -9.34438179
  O     18.18974143      7.09445269    -13.39174539
  H     18.81258797      6.40752130     -9.84136396
  H     20.76552353     10.37415142    -10.15064910
  O     22.32853390      7.19591750    -12.43166640
  H     17.93181364      4.16911086    -12.42182129
  H     19.89376160     11.24259280    -11.07668066
  O     16.97401930      4.19079109    -10.96777892
  H     18.38410469      3.54905077    -13.76772231
  H     14.91791532      8.14338488    -14.08855677
  O     20.37523270      8.78871803    -13.78237237
  H     18.27417697      6.13336907    -13.42071268
  H     15.88122880      8.83525116    -13.09260713
  O     20.85879166      7.10425349     -7.87030007
  H     17.25983190      7.31769120    -13.52050229
  H     20.11416812      4.75215820    -12.26471262
  O     15.15365200      4.41281972     -7.43116911
  H     23.21187882      6.89685025    -12.62972339
  H     20.32592507      5.17263804    -10.80579931
  O     21.27224848      8.60092181    -10.22704054
  H     21.81714844      6.40884771    -12.17269569
  H     14.43956106      7.41305597     -8.58262618
  O     18.61192040      7.92382891    -10.72180652
  H     16.32214718      4.90336565    -11.01287616
  H     15.94089044      7.37820045     -8.18203145
  O     18.74798067      8.49525142     -6.67881474
  H     16.63599489      3.50478120    -10.37296372
  H     15.40982092      6.95140449    -10.34422247
  O     16.77964270      9.86913029     -9.80972610
  H     21.11302019      8.29923784    -13.40044593
  H     15.23975363      6.88237993    -11.88545884
  O     20.22527377     11.17642903    -10.17353493
  H     19.62589972      8.17720458    -13.78617147
  H     19.75254192     10.31680591    -13.22873459
  O     15.51971518      7.97169920    -13.36956375
  H     20.36721482      6.37788444     -8.26738587
  H     19.59435733     11.82977668    -13.49698237
  O     20.77692444      5.09628603    -11.65412520
  H     21.16254516      7.64546755     -8.61214719
  H     17.66226444      7.14352002     -6.97641906
  O     15.28152165      7.86285876     -8.70373971
  H     15.83282160      5.07369397     -7.24056704
  H     17.77775014      5.98621179     -7.99195462
  O     15.20636642      6.35433472    -11.07828047
  H     14.43681542      4.87606022     -7.87988487
  H     13.79416150      5.87945801     -9.91274614
  O     19.32631682     11.13059041    -12.90568315
  H     21.78402276      8.20046248    -10.93893376
  H     12.37056821      5.71380328     -9.33845047
  O     17.17271164      6.40088800     -7.36598213
  H     20.34207246      8.40847945    -10.42473777
  H     17.51932617     10.59339604    -12.73300102
  O     13.28027470      5.85843302     -9.09004928
  H     18.45423734      7.71632393    -11.65148970
  H     16.58912952     10.24673263    -11.55609973
  O     16.64159509     10.25303872    -12.52328060
  H     18.00456762      8.62296136    -10.45135973
  H     15.71028351      3.08612311     -8.44539541
  O     16.04044244      2.45319601     -9.10636302
  H     19.56913673      8.08300354     -6.98710837
  H     16.20785124      1.64171160     -8.63532800
          69
 Energy    -248.15418919214935     
  O     10.30726345     10.22993322    -11.05743485
  H      9.52598890     10.11439155    -10.52284860
  H     10.41229450     11.13394958    -16.86148560
  O     14.40961305     10.82492796    -12.69977506
  H     10.99054266     10.60765190    -10.47492761
  H     13.79164485     13.60268743    -14.22786952
  O     16.92589559     13.46565289    -14.27671854
  H     15.30576088     11.13694996    -12.51188558
  H     13.48236155     13.94841904    -15.70494001
  O     16.65330821      7.49147938    -12.25332316
  H     14.41540871     10.44261288    -13.58803082
  H     18.59727835     11.20330633    -16.47738477
  O     10.77693232     11.67808825    -13.40340646
  H     17.28281959     12.89425010    -14.96695155
  H     17.63898787     10.60886441    -15.42172146
  O     12.10178159     13.91748933    -16.86021933
  H     16.03705980     13.71362849    -14.56282844
  H     13.76130340     14.50726721     -9.44375275
  O     15.06512332     11.75322039    -16.83196122
  H     16.71290674      6.54360506    -12.16047149
  H     14.48223136     13.22381848     -9.91909528
  O     14.55778766      9.69806050     -8.96103772
  H     15.77621962      7.73695358    -11.92007387
  H     17.11872435      8.67868959    -13.54844579
  O     12.99291588     13.12188842    -12.63467677
  H     11.49227717     12.27557953    -13.14136284
  H     16.20572157      9.35800253    -14.57986052
  O     14.49000917      9.59722545    -15.16967767
  H     10.50289370     11.20457401    -12.60776228
  H     15.52689785     11.27657402     -9.48984692
  O     12.23244159     11.28428512     -9.47270526
  H     12.32870445     13.31438727    -17.57830888
  H     16.39798286     11.95267042    -10.57948354
  O     10.89994371     10.39406225    -17.24572619
  H     11.27766148     13.57717921    -16.49031635
  H     11.49225038     10.18012859    -14.30960096
  O     14.20141271     13.72732871    -15.09366408
  H     14.78455729     12.44110702    -16.20759878
  H     11.44007418      9.57962535    -15.72717354
  O     17.74521054     11.32795693    -16.06687914
  H     16.01740508     11.63917819    -16.72819546
  H     13.78001857     11.74720419    -18.07267418
  O     13.65037705     13.72805278     -9.98133724
  H     14.80027080      9.11008728     -8.25029796
  H     13.27341200     11.82139011    -19.53061110
  O     17.09723761      9.39243929    -14.20096247
  H     14.43917297      9.14784834     -9.75338916
  H     11.65745704      8.30257308    -13.26314925
  O     15.83613146     12.13123651     -9.81413404
  H     13.14722127     13.51411953    -11.76779196
  H     11.13527905      8.68761892    -11.86908498
  O     11.76637959      9.41375600    -14.83033345
  H     13.46035955     12.26951973    -12.62333431
  H     17.05906417     12.33598621    -12.89721835
  O     12.98149676     11.81302452    -18.62251442
  H     14.59656687     10.29073760    -15.83429392
  H     17.24371214     10.79602318    -12.84147082
  O     11.65416741      8.02255106    -12.33847291
  H     13.54429901      9.40204155    -15.10483783
  H     10.06753167     12.29701967    -14.91310478
  O     17.04151333     11.56945924    -12.30173457
  H     12.97379966     10.72760834     -9.20558161
  H      8.89313724     12.92297592    -15.69817553
  O      9.78974128     12.61066247    -15.79004697
  H     12.60130849     12.16530445     -9.60632598
  H     13.30796992      8.11335587    -11.63680267
  O     14.17397484      8.44576082    -11.36158190
  H     11.58540234     10.79375309    -17.79478501
  H     14.25682554      9.31391591    -11.78594150
          69
 Energy    -248.15410132028859     
  O     19.24611791      9.19436102    -15.11410630
  H     19.71194418      8.37738584    -14.87831605
  H     20.28433339      5.90001159    -14.80305597
  O     21.91588053      6.92799188    -12.07379252
  H     18.85350723      9.52310753    -14.29842203
  H     18.22117176      3.20100398    -12.85588379
  O     16.19174874      8.92976901    -10.35880946
  H     21.36035409      7.64347274    -11.71585950
  H     19.51553530      3.87758353    -12.34772381
  O     13.66077546     10.71265784    -13.13415826
  H     22.82030231      7.15078347    -11.87067111
  H     16.07696572      8.95688306    -15.39057017
  O     17.25728852      8.25621270    -16.70304923
  H     15.60808403      9.68914123    -10.23843766
  H     16.33896611      9.42196929    -13.93847820
  O     11.76795971      8.57706711    -13.14404304
  H     15.60409395      8.19221673    -10.58324954
  H     18.63487001      6.54258772    -13.44076497
  O     18.12279764      6.83536667    -10.20748277
  H     12.90880665     10.11010714    -13.19995112
  H     17.12556344      6.12652511    -13.35246459
  O     14.38762228      6.89485260    -10.96297441
  H     14.32331607     10.37141198    -13.74740232
  H     14.53731723      6.34449723    -13.93659013
  O     20.17867962      4.91107362    -10.98851912
  H     17.29692072      8.61886551    -17.58491642
  H     14.58408591      7.89207236    -14.04337237
  O     16.07575565      4.77773778    -10.33439733
  H     18.01648138      8.62191277    -16.21514479
  H     19.58758339      3.91165317    -14.67649638
  O     16.40587553      3.00436517    -12.35461557
  H     12.48747457      7.97554759    -13.40158244
  H     20.33988789      3.61559985    -15.99892968
  O     20.26905921      6.74051663    -14.32710896
  H     11.00104158      8.31941133    -13.64899701
  H     14.04097770     10.91586104    -11.43113898
  O     19.12294290      3.42733119    -13.10907937
  H     17.51993604      7.55859756     -9.99060516
  H     14.05603040     11.80275506    -10.16387050
  O     15.64140465      9.27940276    -14.59203545
  H     18.01135789      6.68309121    -11.16247399
  H     19.48145342      9.18420350    -11.64488239
  O     17.81141191      6.67343956    -12.95335958
  H     14.29279552      6.93477115    -11.92347933
  H     19.54457769      8.09137464    -10.58632083
  O     14.04303933      7.15215956    -13.73442725
  H     13.63643629      7.38081059    -10.59300605
  H     16.25610207      5.06793409    -14.95470273
  O     19.85165064      4.29077580    -15.53674060
  H     20.87257062      5.50825074    -11.29435139
  H     15.93401942      4.27610547    -13.62693432
  O     14.20268317     10.91195473    -10.47071959
  H     19.56145341      5.46098724    -10.49465039
  H     17.36369522      6.32943248    -16.49513570
  O     20.10095087      8.69975196    -11.09016609
  H     16.83266433      5.29909750    -10.05031576
  H     18.20796247      5.05754968    -16.17882423
  O     15.77275644      5.09266913    -14.11375726
  H     15.37668993      5.42695355    -10.50111582
  H     12.89051933      9.46584618    -10.24304490
  O     17.31069067      5.38163082    -16.32207748
  H     16.28592068      3.59126506    -11.58605011
  H     12.00511541      8.66960139    -11.22051830
  O     12.37238059      8.65599994    -10.32711220
  H     16.01081314      2.16749062    -12.12560824
  H     17.19210421      9.42596739    -11.84247466
  O     17.70481112      9.37633778    -12.66108918
  H     20.94018497      6.71668590    -13.63327659
  H     17.76225549      8.42456214    -12.85563232
          69
 Energy    -248.15409782889714     
  O     15.78368098      8.70434991    -15.99482110
  H     16.04853132      7.81194093    -15.71956041
  H     19.10080715      6.05513813    -17.36723727
  O     13.18748885      5.65886574    -17.48744013
  H     16.23297766      9.30778665    -15.39086489
  H     17.22863277      6.28298846    -14.44454591
  O     17.98947550      6.37303129    -12.74298534
  H     12.28609993      5.47297614    -17.73653060
  H     17.57507210      6.40436130    -15.94791947
  O     19.32299548      4.21008713    -17.34339856
  H     13.15225604      6.34112207    -16.79340048
  H     14.01302929      8.09707714    -15.70657765
  O     16.83711146      3.72832818    -18.19558510
  H     17.83624491      5.42767712    -12.60961465
  H     13.40545596      7.21755409    -14.59700835
  O     13.04942078      5.94327361    -10.34033057
  H     18.93496567      6.49123594    -12.89237709
  H     17.29438048      3.99652953     -9.03249311
  O     14.82243787      4.06395946    -13.33249456
  H     19.94617128      3.69138170    -17.84521782
  H     16.55779768      5.08097775     -9.84908932
  O     16.19239783      8.28527834    -12.16430543
  H     18.43554038      3.97970973    -17.67520062
  H     14.37689018      4.58029749    -16.54377290
  O     19.70059477      4.11862047    -14.48006613
  H     16.41911838      4.41832559    -18.73090535
  H     15.70567681      4.90232123    -15.81221390
  O     14.17969005      3.49542487    -10.67880197
  H     16.25133275      3.62609052    -17.43502646
  H     21.50664385      6.30040788    -13.04853016
  O     19.50667498      8.59620612    -14.96311330
  H     12.23023820      5.92984616     -9.85362706
  H     20.41808766      5.59538488    -13.89281960
  O     18.86254684      6.96458159    -17.14354309
  H     13.35425680      5.02035152    -10.40800477
  H     16.57618526      3.72049485    -12.92546312
  O     16.84971436      6.23924948    -15.33073569
  H     14.56922739      4.98916318    -13.20675186
  H     17.40315931      3.67681495    -11.62612198
  O     13.27680850      7.50382747    -15.51116126
  H     14.81127860      3.91122644    -14.28686170
  H     15.95596364      7.36201736    -10.48123544
  O     16.87230229      4.15976080     -9.87197771
  H     16.86297946      7.59599057    -12.30897157
  H     14.81926877      6.52389284     -9.87523986
  O     15.09736465      4.18077527    -16.03958099
  H     16.47737461      9.02581747    -12.70897392
  H     15.84496214      6.70403152    -19.11034094
  O     20.67858301      6.44751451    -13.49696490
  H     18.95375143      3.78243067    -13.97100655
  H     14.61917117      5.83935301    -18.75802726
  O     17.48384579      3.67663772    -12.58959058
  H     19.47585090      4.05977518    -15.41619291
  H     14.71540594      7.32055631    -12.67596267
  O     15.77222833      6.67397185     -9.83047133
  H     15.06487445      3.55431493    -10.29982389
  H     13.52241580      6.54375626    -12.06375065
  O     15.42407275      5.85580484    -19.29131895
  H     14.31249300      3.50757134    -11.63808177
  H     18.15967960      9.55206500    -14.37677703
  O     13.98424515      6.72467925    -12.89205477
  H     19.34854597      8.12831157    -15.79472353
  H     17.64592122     10.95920713    -13.99591832
  O     17.36949490     10.05296894    -14.10359030
  H     20.02625966      7.98253981    -14.43095481
  H     16.76941293      9.05838735    -19.08884138
  O     16.76976200      8.27646426    -18.54200280
  H     18.25724273      7.31119320    -17.81091417
  H     16.36876977      8.52704827    -17.69312358
          69
 Energy    -248.15407479110738     
  O     11.91911392      9.86599410    -15.34078374
  H     11.84232535      9.69825073    -14.39276153
  H     15.06166016     10.47801530    -18.18024681
  O     16.62695632      6.47254988    -13.15327370
  H     12.40754881     10.69186243    -15.44075427
  H     16.44950719      8.37504662    -15.75854704
  O     17.63310761     10.80573735    -12.42690579
  H     16.03602185      6.30193253    -12.40977507
  H     16.05252475      7.74156389    -14.38054664
  O     18.04910285     11.09612455    -17.22466545
  H     17.35038161      7.02165968    -12.82087753
  H     12.18510362      8.26597737    -12.64435232
  O     13.75979589      5.50712263    -15.08876215
  H     16.86848098     10.92479155    -13.01225376
  H     10.89705723      8.99861516    -12.20497575
  O     15.37827886     10.92778385    -13.97976694
  H     17.28786014     10.89598000    -11.53084664
  H     17.60238098      7.96204207    -10.55336224
  O     17.29651322      8.41057566    -17.45564339
  H     18.42759565     10.97833027    -16.33506326
  H     16.61203020      8.89683469     -9.83464277
  O     15.07011791      6.17256107    -10.84822396
  H     18.67366110     11.62227142    -17.71749361
  H     13.23097246      6.25887377    -13.49521860
  O     18.73652147      6.46134431    -16.13723445
  H     14.65500635      5.22063147    -15.29570294
  H     13.64138928      6.55887784    -12.02620625
  O     16.60975357      4.75324381    -15.25777685
  H     13.56486662      6.23833168    -15.69062479
  H     18.74165292     10.79210075    -13.96869700
  O     20.22881534      7.95344383    -14.44090979
  H     15.49566423     10.04976459    -14.37304545
  H     19.57731420      9.72757063    -14.71557569
  O     15.24948335     11.32648132    -17.76159675
  H     14.79936209     11.43172359    -14.56275130
  H     19.25375243      8.05614045    -12.86668574
  O     15.83250864      8.43142683    -15.01842498
  H     16.50146737      8.40453897    -18.00370404
  H     18.24645942      9.08595687    -12.29365854
  O     11.76015606      9.14188847    -12.58420067
  H     17.63297859      9.31648317    -17.45656249
  H     15.32669856     10.64439391    -10.48860717
  O     16.87310000      7.97077644     -9.92041834
  H     14.99243026      5.45677513    -10.22285767
  H     16.01507125     11.34119940     -9.28964123
  O     12.98571307      6.75745043    -12.70366735
  H     15.65335575      6.83651869    -10.43939332
  H     14.26028865      8.37028978    -17.98556702
  O     19.15611523     10.58976329    -14.81643208
  H     18.30096828      7.08754687    -16.73333702
  H     14.38461239      8.33923220    -19.52839744
  O     18.57145420      8.17884516    -12.19498584
  H     18.07344327      5.79387293    -15.92804492
  H     14.43570829     10.71574408    -12.42741393
  O     16.16042796     10.70662228     -9.98570404
  H     16.73352018      3.84599913    -14.98698143
  H     13.18564193     10.08693912    -11.79913852
  O     14.80622774      8.66290787    -18.73723893
  H     16.64655961      5.29285353    -14.44780238
  H     14.16188341     11.89093045    -16.54103893
  O     14.00028481     10.55208462    -11.57923801
  H     19.71873655      7.38147887    -15.04186460
  H     13.34143073     13.04868884    -15.92187880
  O     13.61547034     12.14736572    -15.77611407
  H     21.14594203      7.71591659    -14.54876102
  H     12.83877977      8.57382994    -16.13569629
  O     13.51880509      7.96481810    -16.45987215
  H     16.19183117     11.32495544    -17.55230636
  H     14.29250188      8.10107592    -15.89193547
          69
 Energy    -248.15387269853417     
  O     14.63134668      9.35470543     -9.36731090
  H     15.38327523      9.90007145     -9.66576365
  H     14.85610324     11.10067596    -15.17066922
  O     15.52323752      5.30441756    -13.31166095
  H     14.37118176      9.68645703     -8.51275933
  H     15.82710377      7.16371319    -13.13797569
  O     16.02115258     12.71019085    -12.38832463
  H     15.06371151      5.11703096    -12.48245673
  H     16.75931933      8.43356493    -13.15259432
  O     17.64490272     11.62841644    -14.48012756
  H     16.46058868      5.08974465    -13.21596828
  H     14.95080025      6.20914802    -10.22248951
  O     11.78304793      8.52687999    -13.79242980
  H     15.21129793     12.38133269    -12.81270136
  H     15.29799184      7.60007218     -9.64891535
  O     18.24703568      6.82470204    -10.84650696
  H     15.88782341     13.64209099    -12.23070814
  H     18.97953093      4.53179423    -13.36665445
  O     11.96139390      5.80781666    -13.03174750
  H     17.20428962     12.09393996    -13.75899577
  H     18.32708045      5.79292661    -13.98337577
  O     13.84647581     11.52039237    -13.59335476
  H     16.97108519     11.50741719    -15.16127284
  H     13.39912839      4.31655750    -10.65490566
  O     12.76503786     10.25832410    -17.06078329
  H     11.44970498      9.36881392    -14.12277278
  H     13.06019797      5.36747403    -11.73548577
  O     15.74267083      8.19640758    -15.94379857
  H     12.42094597      8.74773166    -13.09610089
  H     18.77361343      9.32724480    -12.60783612
  O     13.59407511      4.96974425    -15.24987874
  H     18.30118106      6.24044876    -11.60867686
  H     18.22230588     10.06989505    -13.86878362
  O     15.32745881     10.96096872    -16.00347634
  H     17.35144421      6.74295863    -10.48313435
  H     17.49965310      7.28730986    -15.70070287
  O     15.84226476      8.12802148    -13.17298059
  H     12.35107614      5.43922532    -13.83396101
  H     18.50761627      7.81187710    -14.67068861
  O     15.67398266      6.73937168     -9.86913665
  H     11.73010920      6.72029640    -13.24745699
  H     19.90079236      9.44733019    -10.30979540
  O     18.27892043      5.16535234    -13.23855690
  H     13.81711927     10.76704289    -12.98414066
  H     18.81016443      8.43557539    -10.74425614
  O     13.76189326      5.05480864    -11.13784178
  H     12.97605193     11.56263507    -14.00641711
  H     12.60256924      7.90269029    -15.33963254
  O     18.41400088      9.19754863    -13.49250233
  H     13.66138318     10.58820534    -16.91463242
  H     13.15423090      6.62724737    -16.00519748
  O     18.28169444      7.03057392    -15.19902273
  H     12.81570894      9.29774755    -16.96978137
  H     16.53403170     11.46794123    -11.02455355
  O     19.07530089      9.37424071    -10.78032910
  H     14.83893603      7.93786494    -16.16420021
  H     17.52174795     10.39151201    -10.48666487
  O     13.01601572      7.57137768    -16.15013063
  H     15.77180694      8.20475969    -14.97511656
  H     11.79446903     10.86476428    -15.74926991
  O     16.67185239     10.81949207    -10.32466729
  H     13.72301899      4.13296590    -15.68911234
  H     10.59969505     11.64516629    -15.14974721
  O     11.36515532     11.12826142    -14.91470904
  H     14.34346143      5.08559583    -14.64124825
  H     14.49995769      8.85792059    -12.38927730
  O     13.71857636      9.28223236    -11.99739041
  H     15.56097596     10.02136780    -16.04414533
  H     13.87132419      9.32205408    -11.04715317
          69
 Energy    -248.15374987090300     
  O     14.39240783      9.63309710    -10.54597252
  H     14.28801243     10.29560783    -11.24214141
  H     13.09627032      8.40048346    -10.17830643
  O     13.30979739     10.87332365    -16.28364272
  H     15.13537210      9.88605932     -9.98278435
  H     19.27928711      6.63150567    -15.35928728
  O     16.86172266     10.89294386    -13.51411040
  H     13.32259281     11.71123299    -15.80359854
  H     18.08221745      7.60243433    -15.24035059
  O     13.84049392      4.86095792    -13.18532535
  H     12.93675515     10.22617787    -15.67255315
  H     14.71446772     13.18344664    -14.98329380
  O     16.50702999      7.39011209     -8.30809257
  H     17.39755738     10.68744709    -12.73372063
  H     13.52064180     14.12112285    -14.67459510
  O     16.34435033     12.79301090    -15.50449603
  H     15.93536712     10.90557648    -13.24246458
  H     12.25853105      8.36914314    -13.66986549
  O     15.59431835      7.58405855    -12.02742530
  H     14.27677603      4.76919209    -12.32453446
  H     13.52229491      8.56440485    -14.50935900
  O     14.10964667     11.07419963    -12.87094124
  H     14.55106065      4.82434677    -13.83200899
  H     15.71019767     10.75544495    -18.35056350
  O     18.33568502      7.36343299    -12.14119797
  H     15.65334112      6.94671175     -8.25157584
  H     14.88204432     10.68573933    -17.04733734
  O     18.26629815     10.07154642    -11.33655196
  H     17.09647457      6.78138728     -8.77588872
  H     11.04303065      6.28800787    -12.81777196
  O     16.06230206      5.14449974    -15.11273825
  H     16.27780576     12.19239839    -16.25594329
  H     12.56624478      6.07904417    -12.92945411
  O     12.54136311      7.61546852    -10.06433977
  H     16.69084602     12.25687311    -14.77633689
  H     13.46349539      5.64196120     -7.74922504
  O     18.40773924      6.72328701    -14.98075190
  H     15.17775157      8.29012372    -11.51731108
  H     13.41141337      6.57426994     -8.98409119
  O     13.78730219     13.20629927    -14.68485704
  H     15.28674245      7.64572355    -12.93876966
  H     15.36794351      5.97537042    -11.20899821
  O     12.73328757      9.02983711    -14.18623796
  H     13.57981078     10.37942006    -13.28894485
  H     14.79965055      5.24426898     -9.97218810
  O     15.78825433     10.66900307    -17.40416399
  H     13.92879953     11.88860110    -13.35495032
  H     17.11216967      5.21043562    -10.25027920
  O     11.87978442      6.73956372    -12.73254847
  H     17.37336258      7.47042757    -12.06173332
  H     18.25993255      6.14712991    -10.66383704
  O     13.99372337      5.99823886     -8.45642305
  H     18.49399783      7.08840442    -13.04867023
  H     15.75020655      8.24883736    -15.11462101
  O     15.24446100      5.09608109    -10.81632071
  H     18.47075713      9.15011490    -11.54394241
  H     15.21263679      6.79533891    -15.01595101
  O     17.92835366      5.61500691     -9.92919362
  H     17.79566807     10.06290172    -10.49431212
  H     16.64389081      9.04594697     -8.69124230
  O     15.00579952      7.71425786    -14.80932593
  H     16.16606794      4.49175562    -15.80196306
  H     16.87269014     10.49303447     -8.19085362
  O     16.66936283      9.98112397     -8.96872811
  H     16.92398284      5.57881600    -15.01534337
  H     16.85836824      9.62133457    -16.32023328
  O     17.25363245      9.14932471    -15.57581320
  H     12.28947216      7.32953115    -10.94961908
  H     17.21603901      9.74898590    -14.81325759
          69
 Energy    -248.15321786095683     
  O     14.70237516      9.11690764    -10.22527805
  H     14.50569575      9.77296824    -10.90957838
  H     18.98249224      4.02478651    -11.24729552
  O     12.65423288     10.96350939    -15.66005440
  H     13.88624208      8.63745851    -10.02786600
  H     13.30547964      6.77565396     -9.30759088
  O     16.81824469     10.89383598    -13.55857212
  H     13.42994946     10.97654328    -16.23426490
  H     11.87949874      7.33081422     -9.06274068
  O     13.50523905      4.13959447    -13.05787261
  H     12.76581759     11.70680066    -15.05523722
  H     18.69743923      6.86993786    -14.94093340
  O     16.71741450      8.08535731     -8.66656535
  H     17.53834322     10.38960429    -13.15153882
  H     19.86179571      7.55954170    -15.68713716
  O     15.74970933     12.97827082    -15.09754419
  H     15.99676462     10.70345305    -13.08908083
  H     14.25100496     13.09540618    -14.20725812
  O     15.76214149      7.33418742    -12.16991477
  H     13.04677598      4.97887210    -12.86864925
  H     13.08010354     13.84838614    -13.52987378
  O     14.21287347     10.60035724    -12.44661314
  H     12.82823855      3.47972753    -13.18039140
  H     12.59123690      9.46128589    -14.64049225
  O     18.86427401      9.23739377    -12.77883853
  H     16.03988508      8.55741709     -9.18158799
  H     13.57753924      8.28713474    -14.40519945
  O     18.09501198      5.35622336    -14.38902557
  H     16.91685223      8.63367772     -7.91168999
  H     15.77580749     10.44856294    -16.83878504
  O     15.46841604      4.80913334    -15.04979999
  H     15.57411054     12.48292963    -15.90712257
  H     15.20916029     11.08935977    -18.12351025
  O     18.28084814      4.54056664    -11.63668322
  H     16.28012363     12.38881675    -14.54199802
  H     12.37581597      7.29148436    -12.96232608
  O     12.60720930      7.34528383     -9.67873233
  H     15.55298284      6.43893009    -11.86882352
  H     12.35715881      6.79280149    -11.49649381
  O     19.04797140      7.73467815    -15.22204315
  H     15.34178086      7.94756687    -11.55520537
  H     15.02361299      5.40361969     -9.57344973
  O     13.41621286     12.97697433    -13.71890272
  H     13.90070859     11.46398106    -12.74337781
  H     15.48869338      6.53870764     -8.63245801
  O     12.82186000      8.75617843    -14.01877387
  H     13.72442652      9.93855985    -12.95804228
  H     16.38278038      4.44853041    -11.41856031
  O     15.12393727     11.08659753    -17.17316946
  H     19.02010142      8.72663957    -13.58372429
  H     14.86728129      4.34892275    -11.84240608
  O     12.33451349      6.49690666    -12.41334116
  H     18.83648319      8.59607808    -12.06001350
  H     17.88715874      7.47594479    -10.04016503
  O     14.75569543      5.93946448     -8.81225822
  H     17.20947759      5.08024701    -14.66924685
  H     17.43700291      7.28990398    -11.49611805
  O     15.48331294      4.71513428    -11.19371542
  H     18.22255552      4.99608678    -13.50611317
  H     15.44509212      7.48342961    -13.93146842
  O     18.20484942      7.19803199    -10.90785354
  H     15.27414343      5.75272533    -15.14804611
  H     15.73038247      8.17707261    -15.29673385
  O     15.13927169      7.56107034    -14.84908708
  H     14.78824557      4.47395380    -14.45578861
  H     16.90028334      9.97703400    -15.09602252
  O     16.92458911      9.43756283    -15.90242919
  H     18.38518415      5.45074592    -11.31078598
  H     17.69471297      8.86097626    -15.82183010
          69
 Energy    -248.15320838505306     
  O     15.95746359     11.95161979    -15.10925384
  H     15.16752567     11.42958728    -14.89972851
  H     19.33382722      6.85772334    -16.93590456
  O     13.96438618      6.19037296    -16.56764301
  H     16.05918848     11.88834963    -16.06368972
  H     18.94403512      9.33874015    -17.69762062
  O     18.23712855      6.65695849    -12.45406796
  H     14.81797051      5.74131499    -16.62001925
  H     18.03511479      9.48070207    -16.45639665
  O     19.28203764      7.74840655    -18.62139069
  H     14.12084342      7.08903424    -16.88281040
  H     17.60680995      7.56398499    -15.58246923
  O     16.69457169      6.94777094    -18.63104702
  H     19.08990210      6.83711084    -12.86274244
  H     16.99342936      8.55402832    -14.53176031
  O     14.33848962      7.29072915     -9.95383396
  H     17.75228530      7.49774636    -12.48010478
  H     13.95126644      9.62616166    -15.47933170
  O     13.96722329      6.14263749    -13.83170726
  H     19.73759971      7.50967972    -19.42382867
  H     13.83101762      9.67243654    -13.93565194
  O     16.86580122      8.97889939    -12.77693488
  H     18.35426746      7.46659516    -18.72714555
  H     14.67524895      3.92292411    -11.32468977
  O     13.29135470      4.99829486    -11.36533153
  H     16.60458608      6.19656139    -18.03019291
  H     15.39616346      2.57586632    -11.07316648
  O     19.88570262     10.13004580    -14.56096808
  H     16.03766204      7.58982477    -18.33982923
  H     21.41980449      7.50190373    -13.71100783
  O     16.65883104      5.08463705    -16.43946311
  H     14.21843103      7.54556729     -9.04292514
  H     20.30193690      8.48286424    -14.13402462
  O     19.07112669      6.42962554    -16.11115389
  H     15.20056905      6.84094326    -10.00729620
  H     17.11223569      5.44352092    -13.28031764
  O     18.57700138      9.98751367    -17.08376402
  H     13.77471664      6.16055535    -14.77872495
  H     16.19919365      4.23852027    -12.93531071
  O     17.04506063      8.33976871    -15.47111888
  H     14.84086903      5.73715398    -13.74269603
  H     16.37648712      4.98234119    -10.49133953
  O     13.85290531     10.22124571    -14.73041257
  H     17.13808716      9.90417016    -12.79312405
  H     17.32560859      6.13246366    -10.87143443
  O     15.54079902      3.47596019    -11.35075550
  H     15.91007454      8.92690721    -12.63619205
  H     16.34823437     11.82793751    -18.65005788
  O     20.50128192      7.54484095    -13.96402857
  H     13.30856604      5.34208350    -12.26998981
  H     17.14735346     10.89798405    -17.70645954
  O     16.44194238      4.84826745    -13.64359626
  H     13.47129114      5.75825363    -10.79874764
  H     14.12697178      8.24458614    -11.55932556
  O     16.65665475      5.86791431    -10.22764913
  H     19.61274524     10.22737808    -15.48160423
  H     14.05109760      7.70619865    -13.00476737
  O     16.26223177     11.25275604    -17.89390898
  H     19.26520549     10.66298276    -14.04829199
  H     17.16411595     11.76224492    -13.91659542
  O     14.16744979      8.51700732    -12.48422668
  H     16.48198369      4.84146650    -15.52012610
  H     17.87953749     12.34518493    -12.67306106
  O     17.81653108     11.56598781    -13.21829746
  H     17.57802791      5.38711662    -16.41558335
  H     15.19690869      9.66279035    -17.51802856
  O     14.96042964      8.79789302    -17.16325497
  H     19.66693099      6.73551066    -15.41576340
  H     15.64690736      8.58492314    -16.50728887
          69
 Energy    -248.15311802617910     
  O     16.10185609      9.87240566    -16.30427431
  H     16.65807935      9.89182593    -15.51666329
  H     19.11424358      3.46361296    -14.88750845
  O     14.28476963      3.75883047    -16.56565963
  H     15.24922043      9.51715481    -16.02609258
  H     18.33749906      7.27401853    -17.54218426
  O     17.68470560      5.52298197    -11.63614717
  H     15.05074059      3.32547259    -16.95194047
  H     19.13476523      5.93326908    -17.42300098
  O     19.23753133      4.10769209    -17.91143950
  H     14.32682384      4.67319810    -16.88404180
  H     17.69218370      6.21684455    -15.84687075
  O     13.26848199      6.77199436    -10.60782652
  H     18.57986751      5.49059535    -11.99268355
  H     16.84321144      6.43925620    -14.55750304
  O     13.97202345      4.36668362    -13.86810841
  H     17.24816783      6.26084079    -12.09105990
  H     12.74360946      8.93967276    -15.78063051
  O     16.45932059      7.46747923    -13.09053391
  H     18.41098616      3.60751444    -17.83377759
  H     13.56559982      8.08023505    -14.79403524
  O     17.30238572      3.19853290    -14.81545482
  H     19.63381716      3.84612082    -18.73987606
  H     13.79573921      3.22426729    -10.50602998
  O     12.57762275      4.08983504    -11.42648979
  H     12.90034139      7.30130629     -9.90551181
  H     14.30638343      2.15247101     -9.51099867
  O     19.68631610      7.96697058    -14.59086933
  H     14.10945931      6.41039499    -10.27497579
  H     15.55206124      6.22540356    -16.46428737
  O     16.91098345      2.56391391    -17.40665879
  H     14.02730754      4.08205931    -14.79103740
  H     14.33736474      7.15582551    -16.69170815
  O     19.99194535      3.82484684    -15.07983413
  H     14.74204667      4.01047903    -13.40654891
  H     20.16352855      4.97027129    -13.75823125
  O     18.98856620      6.79006988    -17.00735775
  H     15.49646308      7.46823595    -13.15779849
  H     21.04455139      5.51348694    -12.61359710
  O     16.95440762      5.86899722    -15.32805417
  H     16.80158654      8.34066061    -13.32090450
  H     15.68217977      3.01354862    -11.57316226
  O     13.60853973      8.56326206    -15.63550654
  H     17.14091025      4.13979198    -14.99870401
  H     16.70882533      4.06119591    -12.08701964
  O     14.59051369      2.87490782    -10.06356539
  H     16.92368317      3.01994857    -13.94624074
  H     15.30560038      4.62776596     -9.69439794
  O     14.82942477      6.42312882    -17.08044010
  H     12.62413911      5.00503605    -11.12424788
  H     16.37748478      5.59935410    -10.23074908
  O     20.18192808      5.59652989    -13.01367063
  H     12.87245331      4.10338581    -12.34772843
  H     13.47760613      7.07729386    -12.40803539
  O     16.14650769      3.32058590    -12.35991739
  H     19.58528842      7.61380467    -15.48652766
  H     13.78841787      6.13238453    -13.60359983
  O     15.54855993      5.56143709     -9.73775001
  H     19.87416651      7.21305840    -14.02087963
  H     18.14054154     10.53688782    -13.58992999
  O     13.72123353      7.06424910    -13.34233637
  H     16.79924800      1.63097105    -17.57570232
  H     18.50668226      9.16236015    -14.20273704
  O     17.76250593      9.74750318    -13.96738979
  H     17.02732502      2.66050642    -16.44390193
  H     16.16805875      7.43608715    -18.12820600
  O     16.91370856      8.03780396    -18.23522706
  H     19.99597765      3.95210491    -16.03341544
  H     16.70500186      8.78881474    -17.65898770
          69
 Ord_Energy   -248.153046    
 O    6.28922939      -1.60705459       5.10724258    
 H    6.29584074      -2.39537454       4.55085182    
 H    5.97394514      -1.88481319       5.97943974    
 O    1.77364504       1.31161845       9.31359482    
 H    1.10590458       1.29633367       9.99348545    
 H    2.49916220       1.87222624       9.64491844    
 O    5.85449600      -3.99405122       3.70730066    
 H    5.30008030      -4.23634052       4.47201872    
 H    6.32962036      -4.77831411       3.44785738    
 O    7.79955435      0.477588028       6.00563574    
 H    7.91044474       1.22852159       5.40973043    
 H    7.38574743     -0.255751699       5.52824783    
 O    3.63343453      -2.53674126       2.62630963    
 H    4.42950678      -3.05260062       2.80525875    
 H    3.86277366      -1.61661983       2.81259799    
 O    3.91403270       2.72183061       10.1453447    
 H    4.20951843       3.47429681       9.61245060    
 H    4.69873428       2.19408059       10.3321228    
 O    3.79154801       3.23712683       6.21133900    
 H    4.33390856       2.54525137       6.61365843    
 H    2.87460709       2.92942238       6.26063871    
 O    1.33925354       2.04225850       6.54080534    
 H    1.42129707       1.19776440       6.07880020    
 H    1.35152793       1.83627594       7.48364639    
 O    5.56352520       1.36967230       7.42473650    
 H    5.76797438       1.31174421       8.36974430    
 H    6.31246471       1.00907946       6.93013096    
 O    2.11945319     -0.499900192       5.50459576    
 H    2.55639434     -0.542701662       6.36750078    
 H    1.91437960      -1.40852439       5.25323868    
 O    7.86148930       2.92044449       4.61604357    
 H    6.93681192       2.84571648       4.31201410    
 H    8.36207485       3.28322673       3.89108205    
 O    5.29388475       2.59822178       3.94523621    
 H    4.95397043       1.71198666       3.76475716    
 H    4.69959259       2.97779727       4.60633707    
 O    8.65189648       2.58693480       9.50264168    
 H    9.16231346       3.22831011       9.99050236    
 H    8.29317951       3.04687667       8.72524071    
 O    7.36172056       3.65599251       7.31436586    
 H    6.60863781       3.05489564       7.38585663    
 H    7.65167141       3.57904792       6.39670038    
 O    7.17728758      -1.54154599       9.62420273    
 H    7.56213093      -2.13260770       10.2667589    
 H    7.91669607      -1.08385456       9.18395519    
 O    6.28701305       1.13672256       10.0970726    
 H    6.50996304      0.197422385       10.0821238    
 H    7.11838531       1.62846994       10.0564327    
 O    3.46297574     -0.401665658       7.93150330    
 H    2.83702874       7.35129118E-02   8.49380016    
 H    4.15775061      0.230227023       7.69785786    
 O    1.91656852      -3.17910051       4.64046001    
 H    1.14886582      -3.65460563       4.33342743    
 H    2.46010876      -2.98535132       3.85524344    
 O    5.32885647      -2.38418651       7.62543726    
 H    4.58335114      -1.79118228       7.80175591    
 H    5.98176289      -2.20593929       8.31248569    
 O    4.32330561      -3.98150794E-02   3.82662868    
 H    3.52470994      -9.21584219E-02   4.37079620    
 H    5.00690079     -0.546672761       4.28608990    
 O    9.06747532      -3.88512202E-02   8.40921688    
 H    9.12021160      0.837717831       8.80720997    
 H    8.74279976      0.103904016       7.50770235    
 O    4.83364820       4.67483377       8.36886501    
 H    5.75167799       4.75261259       8.09526634    
 H    4.35773849       4.37471485       7.57994223    
 O    4.24284267      -4.34372950       5.86517096    
 H    4.56517267      -3.78760099       6.58615065    
 H    3.38778591      -3.98568296       5.59449816    
          69
 Energy    -248.15295156309810     
  O     -2.09424327     -3.02767652     -2.36479747
  H     -2.56531646     -2.32353950     -1.90835745
  H     -2.97887142     -0.65975957     -5.18795743
  O     -0.91678592      1.50624787     -0.99449136
  H     -1.27812990     -2.60143768     -2.67167609
  H      1.38602571     -2.88941471     -2.77794213
  O      1.34053230     -2.90622549      0.18065650
  H     -1.18223446      2.03626881     -1.75561157
  H      1.82914725     -4.37301851     -2.65747652
  O     -3.13224370      0.26077226     -3.72607211
  H     -0.05929790      1.12399615     -1.23542907
  H     -0.97819070     -0.94268155     -6.00637449
  O      0.95908637     -5.97174576     -3.01817736
  H      1.66818879     -3.12091343     -0.70322101
  H      0.50493458     -1.43106490     -6.20308942
  O      3.22677889      0.75107707     -3.74597156
  H      1.81989926     -2.12923798      0.49107389
  H      0.54011035     -0.94858635     -2.60804052
  O     -0.34011613     -4.76546353      1.37629229
  H     -3.14997693     -0.09696264     -2.83092839
  H      0.07416414     -1.33335438     -4.04611505
  O      2.34267160     -0.38375636      0.95808751
  H     -2.63223928      1.08504326     -3.67794282
  H     -2.42922309     -1.16559013     -0.27733096
  O      0.70307555      1.69600569     -4.79369969
  H      0.20977055     -5.82850937     -2.41138333
  H     -2.18281339      0.14324406     -1.02277565
  O      1.48165320      0.28564613     -1.63872577
  H      1.16983756     -6.90041759     -2.98104875
  H      2.00220048     -3.07770427     -7.45231421
  O     -1.50073572      2.60576976     -3.50904646
  H      4.08337972      1.14499095     -3.88575634
  H      1.19704874     -3.49424891     -6.19661311
  O     -2.81040051     -1.14518538     -6.01628707
  H      3.29714358     -0.17882424     -4.02903845
  H     -2.59045701     -2.95967266     -5.46956953
  O      2.09431699     -3.46767536     -2.45072505
  H      0.05232520     -5.27483330      2.08068960
  H     -2.42054311     -3.63863117     -4.10606737
  O     -0.05395783     -0.75809695     -5.79409781
  H      0.36285701     -4.19186514      1.02551110
  H      0.46177572     -5.17860166     -4.67324041
  O      0.14960617     -1.65465147     -3.13906658
  H      1.48937590     -0.02495443      1.26473928
  H     -0.70513592     -4.42485491     -5.36308798
  O     -2.76474192     -0.63019637     -1.00882206
  H      3.01257503     -0.05448428      1.55046181
  H     -1.51123622     -4.60775106     -1.63519107
  O      1.71052277     -2.76818500     -6.59957366
  H      1.59522437      1.51623451     -4.48006196
  H     -0.90925789     -5.27913081     -0.37517087
  O     -2.35852226     -3.79971541     -5.05702515
  H      0.42544230      0.88789904     -5.25060528
  H     -0.44820796     -2.18735711      0.43765276
  O      0.22983458     -4.66364113     -5.45288298
  H      2.15515158      0.51831520     -2.29142501
  H     -1.42722991     -2.91669926      1.33067950
  O     -1.05349992     -5.40008586     -1.32011576
  H      1.92450818      0.06048736     -0.81207840
  H      2.86593219     -2.16987894     -5.21740316
  O     -1.28389840     -2.06425442      0.91086112
  H     -1.72020234      3.47226661     -3.84042257
  H      3.10814565     -2.47346474     -3.72634101
  O      3.34648215     -1.86512340     -4.43753869
  H     -0.68994565      2.32517960     -3.97079169
  H     -0.50609945      0.99875272      0.80536668
  O     -0.16300425      0.46922633      1.53770646
  H     -3.50012858     -0.89618857     -6.62536185
  H     -0.67329396     -0.35103856      1.52788252
          69
 Energy    -248.15255794085380     
  O     12.22077041     12.89043572    -12.19327970
  H     11.36689624     13.29351113    -12.06031750
  H     17.88722845     12.60056703    -15.89505735
  O     19.47889859      7.51958664    -10.57195800
  H     12.11549816     11.94124521    -11.99995197
  H     13.65861243      9.45771387    -15.99302279
  O     17.69270526     11.39354589    -11.64528451
  H     19.92295349      7.98828222    -11.30148762
  H     13.24637084      8.44751054    -14.87760289
  O     12.91577128      7.90149294    -12.97915668
  H     20.15991238      7.25882271     -9.95782090
  H     15.58507582     10.02587728    -13.54477814
  O     15.54214093      7.37174975    -12.10553476
  H     17.58488742     12.28766378    -11.30010308
  H     14.92723136     11.44524572    -13.44918097
  O     18.05478992      6.02516077    -12.54687447
  H     16.89465372     11.21466622    -12.16907477
  H     13.63589547     11.64815853    -17.25080995
  O     14.04605759     12.81095169    -14.31112510
  H     12.40118263      7.09859954    -12.92064503
  H     14.01690838     11.84435172    -15.76573040
  O     18.44033982      9.19861717    -15.68595259
  H     13.78231889      7.69134749    -12.59558324
  H     20.38276313      8.05095393    -13.47454988
  O     17.08617199      8.98913440    -10.30830314
  H     15.79939997      7.73721559    -12.96943086
  H     20.33540456      9.54552318    -13.09820996
  O     16.97784245     11.38906120    -16.74222257
  H     15.98697606      7.91183775    -11.43947407
  H     17.07483342     13.90670230    -14.23793644
  O     19.54055827      6.81682096    -14.69581326
  H     17.13342979      6.26994400    -12.40422440
  H     16.57413041     14.20687058    -12.80357949
  O     18.43665001     13.19692394    -15.35403811
  H     18.54034376      6.40091191    -11.80104509
  H     16.00731155     13.74971857    -10.68706971
  O     13.65631646      8.52258354    -15.74823835
  H     14.79514382     13.40180814    -14.13025368
  H     17.19001627     14.68390145    -10.33529726
  O     15.38237406     10.75881859    -12.94898802
  H     13.37244135     12.94261307    -13.63255259
  H     13.66679681     13.21019870    -10.92722097
  O     14.08869558     11.23399240    -16.51955238
  H     18.79362593      9.82116550    -15.03260578
  H     14.50380875     12.19559111    -10.13297991
  O     20.59144885      8.67508626    -12.76828140
  H     18.85692930      8.34626354    -15.50449481
  H     19.22561763     11.83202984    -14.31027178
  O     16.30643790     14.19497383    -13.73015051
  H     17.88393678      8.44914138    -10.25645456
  H     18.85511460     11.13819334    -12.98630347
  O     16.91436237     14.00124102    -10.94063624
  H     17.36740069      9.82835082    -10.70101335
  H     12.85074134     10.21460008    -10.90526965
  O     14.42515521     13.13796951    -10.33715344
  H     16.02744605     11.23738680    -16.70016857
  H     12.27949404      9.48312472    -12.12042728
  O     19.38812748     11.03646715    -13.78892169
  H     17.41485882     10.54497802    -16.56933110
  H     15.35814086      9.82393246     -9.98587852
  O     12.13567494     10.25205635    -11.55624994
  H     18.95753785      6.48816126    -13.98858806
  H     14.78407053     10.46460864    -11.25559666
  O     14.61322145     10.34336791    -10.30600792
  H     19.94497954      6.05082030    -15.09441561
  H     15.31013360      8.44892611    -15.08417076
  O     16.05534500      8.56216055    -14.47679337
  H     18.90660823     13.76200406    -15.96210105
  H     16.86103775      8.73779174    -14.97473540
          69
 Energy    -248.15243859978460     
  O     15.58244022     11.91893371    -12.50835745
  H     16.24442732     11.33998406    -12.11046985
  H     12.74083855      5.52423634    -11.16624297
  O     17.63107318      9.67210086     -7.42306429
  H     15.11018479     12.32257603    -11.76984786
  H     11.35900194     11.11093511     -9.97368239
  O     16.22573278      5.96194294    -10.62080068
  H     16.88015467     10.13029956     -7.82487215
  H     11.82269809     11.39552219    -11.41657080
  O     13.81875675      4.46901216    -10.03387911
  H     18.30297809      9.61369344     -8.11136355
  H     15.14502058      8.09463090    -14.18281652
  O     18.77663989      6.32969381     -9.59987189
  H     15.78919627      6.37962808     -9.86179955
  H     14.39064454      9.22598974    -14.89553077
  O     17.07353629      6.96652543     -7.25104935
  H     15.66072363      5.20724845    -10.81111197
  H     19.23224625      8.10403253     -9.66331930
  O     17.13312498     10.06659612    -11.04166321
  H     13.56607583      3.66812142     -9.58181539
  H     20.32884756      9.19081263     -9.72788707
  O     14.23003926     12.87755140    -10.17262749
  H     14.02390851      5.12352877     -9.34310247
  H     15.43221939      6.66003860     -7.84574327
  O     10.11320318      7.91832097    -11.16276372
  H     19.29372142      5.53091065     -9.67486810
  H     14.15059490      7.35148639     -8.43386877
  O     15.45961029     10.70002940     -8.90104722
  H     17.92567330      6.14890661    -10.03109447
  H     11.35684374      9.97768056    -13.37335548
  O     13.58732183      8.62494483    -11.52120345
  H     17.23239023      7.91985939     -7.17105703
  H     12.69225251     10.75015435    -13.65629965
  O     12.27289281      6.18372690    -11.68916580
  H     17.75925514      6.64298848     -7.84162630
  H     12.89082402      7.35846110    -14.61993066
  O     11.80396259     11.76623564    -10.52216360
  H     17.98190592      9.81205098    -10.66234398
  H     12.13913284      6.50244780    -13.56352073
  O     14.46009893      8.26559032    -14.84215070
  H     16.53799959     10.23918345    -10.29676977
  H     10.76467664      8.07976667    -14.17298018
  O     19.38446803      9.06192183     -9.67996610
  H     13.33361206     12.50646456    -10.26665611
  H      9.41748150      8.73142256    -14.57467209
  O     14.65013434      6.52503278     -8.40221160
  H     14.12503629     13.79000106     -9.91734756
  H     10.40300621      8.98831131     -9.81387117
  O     12.06614310     10.49285802    -12.96752166
  H     10.74287807      7.19126600    -11.25925711
  H      9.85103123      9.60673899     -8.50949065
  O     12.03497147      6.95636351    -14.40921501
  H      9.95859364      8.24122254    -12.05804081
  H     14.72301054     11.43080417    -13.93144524
  O     10.10830764      8.75626997    -13.91931234
  H     15.08364389     11.52266778     -9.23904597
  H     14.32981804     11.73836019    -15.39567587
  O     10.61766519      9.58680968     -9.07572562
  H     14.71759831     10.09489568     -8.76473997
  H     13.45418187      8.83157260     -9.79999594
  O     14.17625529     11.12841276    -14.67935644
  H     14.43055555      8.48373990    -11.96761442
  H     12.40741868      9.13777114     -8.71200402
  O     13.33548815      8.91106950     -8.83834318
  H     13.07416879      9.25975480    -12.03739881
  H     16.53835139      8.74133244    -12.10841762
  O     16.10592209      8.00589505    -12.56616064
  H     12.76886991      7.01352218    -11.61081147
  H     16.20320749      7.23263408    -11.99707124
          69
 Energy    -248.15243796610423     
  O      2.11680839     -0.43051896      3.89281470
  H      1.71242892      0.42437271      3.70072424
  H     -1.93866426      1.66291620      1.42642168
  O     -1.26579962     -3.69946775      7.72648408
  H      1.62684456     -1.08897128      3.37923132
  H     -2.12886522      0.94738105      5.07702466
  O     -0.30075290      0.02506417      9.53532545
  H     -0.33310886     -3.48350809      7.87206410
  H     -2.35365049      1.69801955      3.71593616
  O      3.29573409     -3.81711457      6.14676918
  H     -1.76701059     -2.95203472      8.07053582
  H     -2.07897649     -1.32271238      0.91674209
  O      0.47645661     -2.23103126      2.59161230
  H      0.48526533     -0.43893259      9.84608776
  H     -2.69794704     -1.75206842      2.26058602
  O      1.30979701     -4.26637482      4.36639833
  H      0.02753332      0.71146422      8.93909251
  H     -0.50181558      4.40020357      5.88782392
  O      3.98524335     -1.02859434      5.91951012
  H      2.61767408     -4.00291862      5.47188851
  H     -0.89581853      2.99495532      5.38297832
  O      3.35171856      0.38889214      8.23729940
  H      3.91516151     -4.54121361      6.11990199
  H      0.29668028      1.78133179      1.66094804
  O      2.22988621     -1.26019601     10.02997283
  H     -0.38109285     -2.26358314      3.04147558
  H      0.29981334      2.41896501      0.25603469
  O     -2.00443029     -2.46090608      3.84718465
  H      0.30328969     -1.93609232      1.69042971
  H      1.15667678     -0.76395368      5.42918769
  O     -0.27221046     -1.06465140      0.13983082
  H      1.13972770     -3.64432335      3.64816960
  H      0.85136596     -1.50989251      6.76979034
  O     -2.68817508      1.45791595      1.99199801
  H      0.44159427     -4.53050289      4.69474068
  H     -1.36426304     -4.42113786      6.17003825
  O     -1.93136319      1.75603878      4.58648006
  H      3.86323378     -1.98264156      5.98985045
  H     -1.77690614     -5.64608898      5.31853249
  O     -2.87620901     -1.25040310      1.45322649
  H      3.49728838     -0.76566881      5.12841109
  H      0.57474927      2.32513020      6.97025351
  O     -0.15291469      3.52967347      5.71437619
  H      3.64151616     -0.06192319      7.43023710
  H      0.76053311      0.78233707      7.01099589
  O      0.00044662      1.65574541      0.74483906
  H      2.62676209      0.97492753      7.98612792
  H     -1.73632025     -0.81142657      8.99885368
  O      0.54937337     -0.80969907      6.17708767
  H      2.70682475     -0.65042916      9.43538211
  H     -3.20343053     -1.19120076      9.30199033
  O     -1.35742067     -4.79152324      5.26843098
  H      2.74585257     -1.32932581     10.82769062
  H      2.10208092     -3.24023700      7.42522979
  O      0.88716514      1.59846218      7.51951956
  H     -1.88220125     -3.31965602      4.27137331
  H      1.71872400     -2.40143477      8.69390580
  O     -2.51405410     -1.28322516      8.65004032
  H     -2.16761666     -1.82490147      4.55726638
  H      0.80599459      2.63080959      4.03670541
  O      1.36560708     -2.85767040      7.91906935
  H     -0.15465252     -0.11419075      0.29412037
  H     -0.28827414      1.63043477      3.73010543
  O      0.59576233      1.90582181      3.44071006
  H     -0.07847781     -1.22104494     -0.78145776
  H     -1.17774331     -0.72353776      5.99641880
  O     -2.14457945     -0.63895844      5.93933302
  H     -2.89746881      0.52789961      1.81382480
  H     -2.47113798     -0.82040359      6.82764899
          69
 Energy    -248.15240232645897     
  O     14.72858580     10.86840391    -16.99025693
  H     14.16515371     11.47413168    -17.46433287
  H     19.42921527     10.15443692    -17.02904637
  O     16.20850475      4.53565316    -13.31949551
  H     14.17420911     10.44004497    -16.31358928
  H     17.84799953      8.35611819    -14.77254471
  O     16.02373802     12.24662280    -10.34153039
  H     16.98879781      4.55135133    -12.75047198
  H     16.76070395      8.39985975    -15.89923265
  O     19.53222516      8.79066038    -14.26420648
  H     15.74639481      5.36346417    -13.14378384
  H     13.14748572      8.61996657    -15.24086156
  O     15.14811765      6.28752567    -17.36534065
  H     15.25613819     11.73143210    -10.06674344
  H     13.44937327      9.70146559    -14.18312257
  O     16.33908882      8.91429521     -8.99594605
  H     16.14688294     12.04405536    -11.28060223
  H     16.48316566      7.25092337    -11.75849616
  O     15.20372469      7.25640574    -13.13512908
  H     19.35994379      9.16622129    -13.38885223
  H     17.74391175      6.49704613    -11.26214083
  O     16.47767740     11.11611414    -12.85339862
  H     19.66911689      9.51814753    -14.88397378
  H     12.68321263      6.03446564    -14.89994180
  O     19.67045021      5.94955749    -14.18318392
  H     14.46210271      6.36537688    -16.69154973
  H     13.94228861      6.77824158    -14.41085513
  O     17.31703782      5.36521205    -15.74797751
  H     15.85711157      5.76888013    -16.96251770
  H     18.75739149     11.57989838     -8.77741427
  O     18.64296418      5.02342069    -11.85514472
  H     17.04550009      9.57147426     -8.97439030
  H     17.49084549     11.56259834     -9.66765375
  O     19.57315517     10.75631266    -16.27760124
  H     16.62530171      8.24171964     -9.62794120
  H     18.66887637     10.12683412    -10.96702680
  O     16.96503883      8.05470421    -15.02149206
  H     15.83900894      7.54939735    -13.81183376
  H     18.17206692      8.78113431    -11.54999480
  O     13.26239928      9.56959244    -15.12177367
  H     14.75802493      8.05212296    -12.80826465
  H     13.41852513     10.19532645     -8.97838130
  O     17.21326017      7.29368575    -11.12902763
  H     17.23656057     10.59976339    -12.55540526
  H     14.82782778      9.70792132     -9.39143652
  O     13.33158068      6.68668898    -15.15778038
  H     16.65437668     11.40270515    -13.76103555
  H     19.32940968      8.19515720    -18.62961206
  O     18.25406366     11.03275498     -9.37376590
  H     19.75735543      6.90887561    -14.25891255
  H     18.03779500      8.88642218    -18.15624541
  O     18.61282893      9.61197008    -11.78153510
  H     19.03682515      5.67076361    -14.85601711
  H     13.96963478      9.85904780    -11.51509665
  O     14.05597899     10.22397318     -9.68660593
  H     17.22116147      6.30787882    -15.54573002
  H     14.97172995     10.21021928    -12.64305525
  O     18.99550544      9.01131230    -18.26587572
  H     16.91963845      4.90068395    -14.99650277
  H     17.82508857     11.43448049    -15.81449383
  O     14.17538346      9.69220669    -12.44225485
  H     19.23503851      4.40058997    -11.44288268
  H     16.28678815     11.48907953    -16.04975869
  O     16.99193079     11.74790515    -15.44492875
  H     19.08317717      5.33956088    -12.66497308
  H     15.85540238      7.88630269    -17.70615820
  O     16.34791592      8.72103772    -17.67765328
  H     20.22427425     11.39532182    -16.55629568
  H     15.72494690      9.45090136    -17.57350806
          69
 Energy    -248.15234442740990     
  O     13.89118940      9.39204853    -10.85083637
  H     13.74942004      9.91246712    -11.65321141
  H     17.68741475      3.34525904    -11.74099370
  O     14.09731143     10.22217798    -16.82593079
  H     13.21684536      8.69720758    -10.81711604
  H     12.27016127      6.79848159    -11.69499569
  O     16.52552642     11.34624596    -13.06406195
  H     13.69152556     10.98377288    -16.39267870
  H     12.63470476      6.61340899    -10.20745690
  O     12.85479671      5.89969266    -13.32287964
  H     13.86084858      9.45481562    -16.29053462
  H     19.40042960      8.15599447    -12.66544367
  O     15.87306747      6.93393218     -8.40556984
  H     15.61251723     11.03388818    -13.09188589
  H     19.24947456      8.70356128    -14.09859258
  O     15.96589258     13.02725534    -15.24733884
  H     16.84773620     11.24125433    -12.15742254
  H     14.23588455     12.79921078    -15.26250856
  O     15.92519399      7.74455460    -11.92632891
  H     13.63274732      5.56259733    -12.85149174
  H     12.76435759     13.26795852    -15.38318584
  O     13.81349258     10.52306089    -13.32855798
  H     12.42956040      5.14291370    -13.72084726
  H     13.27238251      7.45405812    -14.40816681
  O     18.49907732      8.23080707    -11.00975720
  H     15.84434142      7.89739644     -8.45975392
  H     14.64535272      7.95473749    -14.89922231
  O     17.43599341     10.77615677    -10.53122733
  H     16.75292514      6.65621325     -8.68411643
  H     16.90502085     11.05432456    -18.10149824
  O     18.16168128      5.71795753    -14.02040728
  H     16.32375316     12.48645098    -15.96237513
  H     15.78323105     10.67451754    -17.10737806
  O     17.59269952      4.26316147    -11.49617034
  H     16.27541148     12.61567993    -14.42799540
  H     13.44888857      4.93819506     -8.44368874
  O     12.22443599      7.22589820    -10.83155919
  H     16.02193975      7.81919667    -12.88626610
  H     14.49880425      6.00269484     -8.84610101
  O     19.66314789      8.00007348    -13.58255242
  H     15.25568951      8.36626734    -11.61705743
  H     14.55678692      5.14492887    -10.80226137
  O     13.30908628     12.49717094    -15.25308650
  H     13.51873351     11.24823485    -13.89248238
  H     15.35858269      6.10326247    -11.72566046
  O     13.70304925      8.18911700    -14.85597819
  H     13.73963435      9.71276651    -13.85313168
  H     19.08015496      5.48775469     -8.86940081
  O     16.69145983     11.01879914    -17.17295328
  H     18.65742437      7.51949347    -10.38087175
  H     18.17094864      5.30043616    -10.10415846
  O     13.75888718      5.46069449     -9.17790033
  H     17.59838396      8.08332166    -11.33894590
  H     16.90915979      8.40214988    -14.82925704
  O     15.00821089      5.19859867    -11.65554319
  H     16.82527061     10.54061202     -9.82411408
  H     16.91312865      6.86912074    -14.54253973
  O     18.39129155      5.90736131     -9.37984228
  H     17.98810245      9.99175990    -10.65423907
  H     15.06394051     10.29197391     -8.02244431
  O     16.33820830      7.63961082    -14.66200648
  H     18.80644488      6.43411028    -13.89592723
  H     14.85719253      9.67844679     -9.42731848
  O     15.48147072      9.74397067     -8.68268182
  H     18.10231884      5.25726446    -13.17991975
  H     17.66273471     10.24912192    -15.76701897
  O     17.94451377      9.86801965    -14.92631765
  H     16.65205321      4.48454364    -11.59838429
  H     17.53594814     10.40568646    -14.23123536
          69
 Ord_Energy   -248.152237    
 O   -6.74502420       5.10510063       2.24298215    
 H   -7.65325499       5.35989189       2.10967851    
 H   -6.36889696       5.72902870       2.89328909    
 O   -2.76929855       4.71927071       3.19990063    
 H   -3.38161802       4.33897448       3.84343934    
 H   -2.10966802       5.22015619       3.69599366    
 O   -3.76900387       7.79732275     -0.127191544    
 H   -3.97963762       6.90901089      0.210301340    
 H   -4.54125738       8.10366154     -0.596855104    
 O   -3.92841101       1.25087810       1.13928092    
 H   -4.56957340       1.69007707       1.72715378    
 H   -4.22197199      0.349330455       1.04093623    
 O   -4.87599564       5.85228682       6.53186226    
 H   -5.32893658       6.11318636       7.32912111    
 H   -3.92968583       5.79090786       6.75424433    
 O   -5.62705755       2.53589082       2.81769800    
 H   -6.11205626       3.33366346       2.57642889    
 H   -5.25027180       2.72287202       3.68871355    
 O    2.22266054       5.06305981       1.87693393    
 H    1.67043757       4.45181513       1.36497235    
 H    1.89249313       5.93117428       1.62049913    
 O   -1.30974066       4.33868074      -1.87294292    
 H   -2.13588810       3.94027948      -1.54457057    
 H   -1.14955640       3.96824193      -2.73688459    
 O   -5.56358767       6.81380320       3.93333483    
 H   -5.31374693       6.59326982       4.83691883    
 H   -4.85096645       7.35400438       3.56134033    
 O   -4.29220390       5.35632181      0.959879816    
 H   -3.71156788       5.22268772       1.72345579    
 H   -5.19734192       5.26232815       1.28364193    
 O    6.41313419E-02   6.75939798       1.03129816    
 H  -0.305667102       7.04197884      0.182092205    
 H   -4.08707978E-03   5.79612207       1.02820408    
 O    1.54247904       4.55093908       4.45863771    
 H    1.84356487       4.71025944       3.54774809    
 H    2.31841922       4.58327484       5.01264143    
 O    8.55861008E-02   3.92897463      0.554746747    
 H  -0.476045012       3.33272314       1.06733215    
 H  -0.312216610       4.01749134     -0.319701433    
 O   -1.25855207       7.17120361      -1.32175827    
 H   -2.12994790       7.43192720     -0.996091723    
 H   -1.33082902       6.24884176      -1.59869456    
 O  -0.823787510       6.05850935       4.70581579    
 H    1.57488100E-02   5.58590460       4.63974380    
 H  -0.726454496       6.90624619       4.25269222    
 O   -3.53722763       8.29575825       2.71427536    
 H   -3.59437561       8.26842499       1.75198269    
 H   -2.59583235       8.34336090       2.91396713    
 O  -0.682934761       8.31031609       3.10426402    
 H  -0.405789763       7.78227901       2.33322096    
 H  -0.208338886       9.13603115       3.06195211    
 O   -2.24909711       5.41548347       7.00722742    
 H   -2.14427781       4.45596504       7.00519276    
 H   -1.71560192       5.73693848       6.26663303    
 O   -4.39090538       3.44639516       5.13993645    
 H   -3.67228842       3.05484486       5.65402412    
 H   -4.70840025       4.21070719       5.63790369    
 O   -2.14929485       2.58066392       6.59910727    
 H   -2.03721285       1.86197197       7.21520805    
 H   -1.46042776       2.47501445       5.91848421    
 O   -1.59980893       2.44460034       2.19037294    
 H   -2.31475997       1.91507769       1.81913352    
 H   -2.01025414       3.25767922       2.52523685    
 O  -0.286343604       2.35319114       4.66031694    
 H   0.393113434       3.03257465       4.58113337    
 H  -0.674451172       2.24935603       3.78076148    
 O   -3.56223059       3.32415700     -0.793118954    
 H   -3.68511724       2.53054070     -0.260545850    
 H   -3.86537552       4.05447769     -0.234970093    
          69
 Energy    -248.15205848028017     
  O     19.96234791      7.94634164    -16.47936465
  H     19.33253701      8.63096720    -16.22014702
  H     18.47115446      6.25367313    -19.27028137
  O     13.91396635      5.62788055    -11.74701520
  H     19.83050107      7.21073877    -15.86829148
  H     14.31956910      4.04902936    -12.62027741
  O     14.06267712      4.10788201    -19.35545674
  H     14.85269679      5.88101816    -11.82276609
  H     15.07571946      3.69898850    -13.93670691
  O     18.40815307      4.04899894    -12.70191532
  H     13.63736326      5.85696244    -10.86439382
  H     17.17973618      3.92190187    -19.83542906
  O     16.93529391      8.90995690    -18.46621470
  H     13.83548299      3.54879432    -18.59154386
  H     15.75778402      3.34389630    -19.79159750
  O     14.78251005      6.69716890    -15.93404410
  H     13.34114739      4.02487523    -19.97425883
  H     18.98373167      5.21346084    -14.07727035
  O     18.35738055      4.07733109    -16.88843622
  H     19.00665113      3.75407982    -12.01912191
  H     18.96681985      5.15462006    -15.61470192
  O     15.87736372      1.49817422    -16.08333126
  H     17.91699844      3.26131747    -12.98966309
  H     17.71038862      6.93820733    -14.66601970
  O     16.88875139      1.84226838    -13.37896579
  H     17.76218399      8.59326394    -18.85120158
  H     17.22622304      8.39575783    -14.90402659
  O     17.77071114      9.74431189    -16.01957149
  H     16.28522483      8.21051833    -18.60647355
  H     12.38992187      5.16457479    -14.53325289
  O     15.92558008      4.21480616    -15.47436073
  H     15.48324170      7.07125205    -15.38242003
  H     13.01413586      6.00049687    -13.39936275
  O     17.84217937      5.53034853    -19.16497762
  H     13.98836851      6.58354827    -15.39207802
  H     12.98831318      2.76618416    -16.47754175
  O     14.52932855      3.32643830    -13.22524879
  H     18.21760250      4.61415497    -17.68265774
  H     14.21654433      1.95457396    -16.92787811
  O     16.68274605      3.09501915    -19.90747237
  H     18.35260351      3.15777759    -17.17715408
  H     15.08534312      6.64788122    -17.66553745
  O     19.10554707      5.75501116    -14.86668166
  H     15.82544561      2.45120711    -15.90714378
  H     14.82918826      5.77999463    -18.92032039
  O     16.99025724      7.55942736    -14.48377095
  H     16.55540570      1.38424051    -16.76178374
  H     17.13423802      5.42662991    -12.24781157
  O     12.68058208      6.05542775    -14.30404983
  H     16.71591968      1.49754866    -14.26276979
  H     16.65343907      6.75874159    -12.86428411
  O     13.48033912      2.48470383    -17.25804228
  H     16.03096114      2.18347365    -13.08896119
  H     19.74263420      7.80672894    -18.20732000
  O     15.33059719      6.53893724    -18.59770935
  H     17.69917653     10.69188334    -15.94621054
  H     20.23124479      8.10573471    -19.64587853
  O     16.51598285      6.15549016    -12.12089286
  H     17.39797316      9.49878534    -16.88555623
  H     18.42492931      0.86642561    -18.46464142
  O     19.48928491      7.77503952    -19.14744638
  H     16.79040310      4.23691870    -15.90264401
  H     17.43825156      2.02026320    -18.77120003
  O     17.88985159      1.53933811    -18.05344703
  H     15.47008441      5.03175638    -15.71249463
  H     11.56571642      2.68407993    -14.40549985
  O     12.25561862      3.22555845    -14.78224858
  H     16.97810521      5.92287229    -18.96712431
  H     13.02937782      3.13408168    -14.20109077
          69
 Energy    -248.15203948925461     
  O     12.80594291      9.80367877    -10.38679215
  H     12.35712559     10.47630265    -10.91638143
  H     10.76032832     10.07354633    -15.15197145
  O     15.31030911     10.82001493    -13.04910406
  H     13.50401931     10.24679126     -9.89352999
  H     15.16896907     14.29082837    -14.85766358
  O     17.03257392     14.42930994    -14.61858537
  H     16.26171779     10.94720673    -12.94089290
  H     14.25591334     13.25631948    -15.55899697
  O     15.50839898      7.13830775    -12.63841792
  H     14.86410599     11.62904935    -12.77225513
  H     16.14404624     12.01826515    -16.63535322
  O     11.64721255     11.44495414    -12.36679569
  H     17.55442160     15.17259814    -14.91410326
  H     17.10848093     12.86959256    -15.79333989
  O     11.49150913     14.16344245    -15.55297698
  H     17.36795611     14.18679353    -13.74189912
  H     15.66669184     12.48975852     -9.93601763
  O     14.24550842     11.87540548    -16.72690735
  H     15.94748645      7.68196728    -11.97262847
  H     15.08523353     13.33105181    -11.08700112
  O     16.36581357      9.27988229    -11.00394358
  H     14.56610193      7.19415171    -12.43673244
  H     17.80656662     10.63004991    -15.51805049
  O     13.84882092     13.10967277    -12.37499585
  H     10.92973521     11.96682942    -12.74737466
  H     17.63987649      9.14636611    -15.08539757
  O     14.43024158      9.55351394    -15.27134887
  H     11.79188895     10.69958443    -12.96749980
  H     18.66118425     14.14321254    -11.59201983
  O     15.17336082     10.83358901     -9.08485736
  H     11.49944410     13.59899852    -16.33650481
  H     17.23452357     13.55564365    -11.48674878
  O     10.24790020     10.70872504    -15.66995662
  H     12.41837890     14.29963959    -15.31863810
  H     12.15617861      8.54264504    -13.37208531
  O     14.25019154     14.01446945    -14.95464862
  H     13.37761054     11.94113334    -17.14258067
  H     12.81296895      9.29235505    -14.55362936
  O     17.05986394     12.07441873    -16.33528401
  H     14.28061355     11.01410424    -16.28422977
  H     16.13073212      7.39039441    -14.26240000
  O     15.85624202     13.24254044    -10.50656493
  H     17.18956122      9.69280333    -11.30437623
  H     16.69687141      6.79508763    -15.57253729
  O     18.17037205      9.93779903    -14.94581002
  H     15.70491233      9.62563776    -11.62509983
  H     11.13452960     12.04799968    -18.41426561
  O     17.98298267     13.69969603    -12.09523587
  H     13.02990632     12.59696342    -12.33912209
  H     11.08713802     11.55361844    -16.94858633
  O     11.99336335      9.21602827    -14.04292778
  H     13.91685359     13.49450146    -13.25949415
  H     12.80945937      8.31397655    -11.29161084
  O     16.42737354      7.61272541    -15.16298057
  H     14.75588862     10.01847053    -14.48168629
  H     12.25513708      6.87935896    -11.44984757
  O     11.57236363     12.12475274    -17.57097028
  H     15.05084357      8.83259811    -15.42712963
  H     18.25413613     11.80299552    -12.37477867
  O     12.77548780      7.54642069    -11.89075762
  H     15.66813026     10.21766494     -9.65172507
  H     18.28382857     10.54279150    -13.31832915
  O     18.11706639     10.85166991    -12.41164630
  H     15.36173727     10.58739370     -8.18227099
  H      9.02003825     13.43973151    -13.69037240
  O      9.78923472     12.90208736    -13.85675984
  H      9.93774426     11.37529886    -15.04491187
  H     10.38336041     13.42728177    -14.42309307
          69
 Ord_Energy   -248.151901    
 O    2.43720317      -8.44590950       3.00861788    
 H    2.97023582      -8.01547718       3.68734860    
 H    3.03774595      -9.02135754       2.51916456    
 O    5.24880075      -8.77078915     -0.641894639    
 H    6.15889406      -8.50267029     -0.820266187    
 H    4.71820354      -8.49120045      -1.40134716    
 O   0.438324302      -7.26221800       1.64748716    
 H  -0.358469605      -7.75114584       1.83667386    
 H    1.14709365      -7.67228651       2.17455602    
 O    4.18566227      -5.04421425       3.02563357    
 H    4.18449211      -5.59499311       2.22687888    
 H    4.19998455      -5.65932560       3.76842570    
 O    4.33395576      -10.0703001       1.58929741    
 H    4.31751776      -11.0167055       1.46895349    
 H    4.65214109      -9.68996334      0.753872633    
 O    1.04042697      -4.16862869      -1.22719359    
 H   0.563814282      -4.20239782     -0.384671986    
 H    1.84825003      -3.66172576      -1.05833459    
 O    5.26471376      -4.07881308      -4.73424530    
 H    5.66493416      -3.57521105      -5.43774891    
 H    4.68441391      -3.46719217      -4.24620628    
 O    6.80543518      -4.36901379       2.00369740    
 H    5.99173021      -4.48175859       2.51034975    
 H    6.51959038      -4.15141487       1.10680616    
 O    4.19745588      -6.43570995      0.659039319    
 H    3.33923697      -6.52132273      0.223353237    
 H    4.70698214      -7.21668911      0.418256193    
 O    3.73833704      -7.50567102      -2.62720323    
 H    3.02067900      -7.33019733      -2.00242901    
 H    3.46473956      -7.10400772      -3.46534395    
 O    2.57672620      -2.99608517       2.20919728    
 H    3.15595245      -3.69503093       2.55804610    
 H    2.57306385      -2.29627371       2.85809016    
 O    6.04376793      -8.54572201       3.33274388    
 H    5.56535769      -9.17141247       2.77867675    
 H    6.62715387      -8.04401684       2.74228764    
 O    4.27386618      -7.18382120       4.81614685    
 H    4.97797108      -7.66322899       4.33904028    
 H    4.42073298      -7.33313560       5.74557590    
 O    3.47422791      -2.53484988      -3.40212488    
 H    2.62319064      -2.91627765      -3.65302205    
 H    3.44317222      -2.41175914      -2.44572854    
 O    3.31102586      -2.73034620     -0.547619641    
 H    4.14473677      -3.22495818     -0.569818318    
 H    3.06526661      -2.66421580      0.382963389    
 O   0.209719047      -4.40568542       1.35871625    
 H   0.961849213      -3.95045185       1.75808120    
 H   0.289498031      -5.33804178       1.59517574    
 O    7.51649284      -7.04543781       1.57170367    
 H    7.69886827      -7.13235092      0.631769776    
 H    7.37835884      -6.10261250       1.74201345    
 O    3.04531002      -5.94494534      -4.77870226    
 H    3.79846978      -5.36319351      -4.93542719    
 H    2.30971265      -5.35978651      -4.55786848    
 O    5.53331947      -4.33241129     -0.529966652    
 H    5.08267736      -5.05390882      -6.37371764E-02
 H    5.83143187      -4.72054243      -1.35999084    
 O    1.82604218      -6.79252863     -0.734560966    
 H    1.27722466      -7.06799459       1.09922700E-02
 H    1.53933954      -5.90168428     -0.979545474    
 O    7.69809484      -7.52987385      -1.28791261    
 H    7.23284101      -6.90740824      -1.87086105    
 H    8.50104618      -7.77991581      -1.73849714    
 O    6.06108999      -5.90549469      -2.79083824    
 H    5.91815376      -5.28645229      -3.51809239    
 H    5.25473261      -6.43657112      -2.71474981    
 O    1.08253098      -4.02025127      -3.94267011    
 H   0.942847669      -4.10536671      -2.98381352    
 H   0.245135337      -3.76293826      -4.31996012    
          69
 Energy    -248.15176202450579     
  O     -0.12005618      0.57315500      1.87788868
  H     -0.18908904     -0.39056043      1.91746572
  H     -0.49761127     -2.49388233      1.13183238
  O     -3.05033248     -0.66209484      0.17528617
  H      0.51081856      0.84615022      2.55574520
  H      3.67291116      0.87228732      0.83056107
  O      3.56017590     -1.43303934     -1.16990351
  H     -2.77218468      0.16403582     -0.24478196
  H      3.66736488      2.07394763     -0.16035226
  O     -3.86341297     -0.69870564      2.73513898
  H     -2.47604216     -1.35784846     -0.16286982
  H     -0.49183734     -2.26345775     -1.08822520
  O      0.73073446      3.94701100      0.16814830
  H      3.65512051     -0.50752146     -0.88906079
  H     -1.44006897     -3.48558938     -1.08743792
  O     -2.01987395      1.66942749     -1.00373950
  H      4.34763011     -1.65144541     -1.66203481
  H      0.94416237      3.93309658      2.06034544
  O     -1.52133043     -1.46488672      4.21954875
  H     -4.77604535     -0.96941743      2.77702641
  H      0.42990342      4.35711405      3.45862240
  O     -1.02874225      5.06838823      4.40087354
  H     -3.60435279     -0.72645913      1.79449778
  H     -2.71700314      3.48487787      2.30952787
  O     -0.07381618      0.26175517      5.73206096
  H      0.72580006      3.02479048     -0.12172575
  H     -2.15260040      4.80444914      2.86490496
  O      1.70046159      1.35388799      3.84995663
  H     -0.13566060      4.29647027     -0.07485500
  H      2.94503351     -2.04483758      0.57661602
  O      0.78779266     -1.33220036     -1.81500761
  H     -2.11842444      2.61608024     -0.84983925
  H      3.06106899     -1.37301173      1.95044103
  O     -0.07658925     -2.21253577      1.95310185
  H     -1.06980035      1.52616699     -1.07730693
  H     -3.12926235      0.99872240      2.81118369
  O      3.55765802      1.11418919     -0.09893508
  H     -2.36619461     -1.23684826      3.81365319
  H     -1.70046880      1.39180443      2.38522348
  O     -1.19913446     -2.70910016     -0.58941694
  H     -1.00215144     -1.88292694      3.51842772
  H      1.75225941      1.17359300     -0.48465162
  O      1.12015461      3.85691100      3.00594558
  H     -1.24967241      4.21459374      4.81733257
  H      0.41845486      0.97196809      0.29130890
  O     -2.65078902      4.43414439      2.12783925
  H     -1.11560455      5.73433308      5.07692676
  H     -2.44274894      5.17196606     -0.92937624
  O      2.63484359     -2.10432462      1.48741043
  H      0.09244006     -0.16718555      6.56718486
  H     -2.24489716      4.54531339      0.47306134
  O     -2.51486698      1.74100341      2.77324973
  H     -0.60923227     -0.35901811      5.20496090
  H      3.08187191      0.67089152      3.07587040
  O      0.79137732      1.22724288     -0.57056352
  H      1.51115564      2.28645954      3.65326413
  H      4.58135349      0.29625508      3.13339256
  O     -1.93711572      4.52044609     -0.45189335
  H      1.14130690      1.05075276      4.57567559
  H      3.92209483      4.51706627      0.47773230
  O      3.81307851      0.27640894      2.56872479
  H      1.72924040     -1.51641139     -1.71514013
  H      2.55553183      4.05452406     -0.03878039
  O      3.50676807      3.87223412     -0.09084015
  H      0.68327345     -0.41776346     -1.52391938
  H     -2.03860681      2.28378610      4.45158840
  O     -1.64735455      2.59327953      5.28183120
  H      0.88197815     -2.26640953      1.82051118
  H     -1.11617019      1.85470754      5.59749982
          69
 Energy    -248.15174495112308     
  O     14.34786867     10.87810415    -12.91242405
  H     15.23081524     11.05958480    -12.56365502
  H     13.75247570     14.14974333    -15.62937761
  O     16.98593584     13.02921094    -14.01203781
  H     13.85076319     11.70326911    -12.85316517
  H     16.60428968     11.27012005    -16.41826864
  O     15.77707109      7.76703679    -11.73754198
  H     17.30933398     12.46123188    -14.72152107
  H     18.04217556     11.44430524    -16.95735793
  O     10.74322742     11.79325680    -13.19016578
  H     16.17007599     13.42294325    -14.34582397
  H     13.08311039     13.89019072     -9.17245768
  O     12.29485777     14.51414176    -16.75092644
  H     15.60363869      7.45343718    -12.63424277
  H     13.73862213     12.60041865     -9.72311955
  O     14.83156380     11.42911702    -16.56272522
  H     14.94153987      8.10421694    -11.39580650
  H     17.74388212      9.61847887    -15.20031236
  O     12.99505275     13.29752258    -12.69943185
  H     10.74378389     11.54485825    -12.25393321
  H     18.01914655      8.98516134    -13.80852971
  O     13.94397435      9.29803048    -15.06027344
  H     10.91373281     10.98726429    -13.69552280
  H     15.59392969     11.41124501    -10.25101916
  O     18.11416344      9.13309514    -11.91210448
  H     12.37932243     13.72859962    -17.32120150
  H     14.45210002     10.44224583     -9.85638378
  O     11.22155541     11.14781881    -10.55248903
  H     12.15608558     15.26033724    -17.32842525
  H     10.83245486      9.80589707    -15.57392979
  O     10.25780245     10.78505827    -17.05572127
  H     14.50277130     10.63798903    -16.11126515
  H     12.17368487      9.37550597    -14.92710115
  O     14.38703295     13.74059324    -15.02770915
  H     14.66843655     12.18931825    -15.98422866
  H     15.79378455      6.29629838    -14.93272208
  O     17.54413260     11.21527830    -16.17621627
  H     13.03136897     13.43327266    -11.74440831
  H     16.42537008      7.68723538    -14.66405900
  O     13.04435348     13.26312267     -9.88919551
  H     12.14944204     12.86873958    -12.89991009
  H     13.38345758     11.81103700    -17.71531336
  O     17.75627044      8.78447887    -14.71550947
  H     14.12857093      9.85031978    -14.28189074
  H     11.85550012     11.57562376    -17.83569229
  O     14.87138076     11.27684453     -9.62063083
  H     14.44600023      8.48155796    -14.95326663
  H     10.42099311      7.71346330    -12.12556685
  O     11.22710061      9.48906751    -14.75240814
  H     17.30022045      8.61561193    -11.76949025
  H     11.18505651      8.42766751    -13.24985550
  O     15.62545692      7.14455537    -14.53189700
  H     18.78298857      8.75912411    -11.34469243
  H     16.93189541     12.15928689    -12.44870261
  O     12.57083465     12.16693311    -18.09892635
  H     11.71502978     11.90091665    -10.20357093
  H     17.33694917     10.80252734    -11.77344774
  O     11.29766275      7.97212814    -12.40175089
  H     11.84579651     10.41402071    -10.56221972
  H     10.20978415     12.78028944    -14.69518879
  O     16.73893174     11.55822221    -11.71255830
  H      9.48800778     10.63156413    -17.59741670
  H     10.77929030     13.66372777    -15.84221443
  O     10.05955338     13.06671272    -15.60644568
  H     10.10182070     11.61907969    -16.57522144
  H     13.67385274      9.77362000    -11.68589816
  O     13.35963412      9.15415913    -11.00762012
  H     13.93087591     13.67375694    -14.17588023
  H     12.66084344      8.62728530    -11.42441683
          69
 Energy    -248.15159416403756     
  O     12.02360917     11.18568685    -14.59374033
  H     12.23543774     10.59720350    -15.33175668
  H     15.14340709      5.97791037    -15.17892972
  O     15.41934837      6.67117741    -13.49662055
  H     12.73844960     11.83091992    -14.55462726
  H     19.40248142      7.25278293    -14.46581864
  O     17.57056460     10.28084563    -12.04324782
  H     15.26267522      7.53691406    -13.90839854
  H     20.70788791      7.00016857    -13.69447339
  O     17.47873744     10.26929947    -14.82577865
  H     14.79959995      6.61771301    -12.75785358
  H     16.61985849     11.42039217    -15.97929185
  O     12.14126213      6.70161984    -15.94280293
  H     17.64758984     10.61104273    -11.13600401
  H     15.63564909     11.14971703    -17.12851793
  O     15.29109766      9.37164415     -8.90778682
  H     17.60721105      9.31544609    -11.99528625
  H     14.78862934      9.76288419    -13.77773950
  O     13.75636840      6.88692592    -11.26516533
  H     16.61768591      9.82180947    -14.80838139
  H     14.23776353      9.24445380    -15.14287280
  O     14.91698794     11.01950311    -12.45673035
  H     17.71190392     10.41041357    -13.89893208
  H     11.32375430     10.32099517    -13.26162375
  O     16.51906511      7.25155282    -17.74416859
  H     11.40384360      6.18179423    -16.25132721
  H     10.07047937     10.08492192    -12.38633341
  O     16.17298900      6.77744634     -9.75813372
  H     12.01090601      6.82829077    -14.98494909
  H     12.37059287      6.89198486    -12.59451647
  O     18.65858921      7.98634399    -15.90417145
  H     15.58877110      8.47262526     -9.09445762
  H     11.42776554      8.02113940    -13.05630305
  O     14.87209769      5.90016888    -16.10445957
  H     14.48625977      9.49750669     -9.42559886
  H     16.89795393      7.13952627    -12.57838824
  O     19.75935712      6.95111897    -13.61294153
  H     14.47757299      6.67550983    -10.66045217
  H     18.43864495      7.24864333    -12.45778202
  O     15.91091003     11.82570150    -16.50042053
  H     13.56324420      7.82544445    -11.11717468
  H     17.60731760     11.57937081     -8.66835365
  O     14.95349578      9.14755161    -14.50531125
  H     15.85925440     10.87282658    -12.29041424
  H     16.64904837     10.48723190     -9.17514201
  O     10.96031085      9.77835378    -12.53891155
  H     14.81342537     11.76515906    -13.06038512
  H     15.15811648      9.76249074    -19.16574352
  O     11.77458235      7.15524322    -13.30571222
  H     15.93267298      6.74090509    -17.15632077
  H     15.65627247      8.80682916    -18.06053508
  O     17.60969132      7.45669571    -12.00324976
  H     16.88238234      6.62993356    -18.37036306
  H     12.36066251      9.69376396    -11.27987345
  O     17.41395823     11.03340351     -9.42486678
  H     16.62533817      6.11267985     -9.24502965
  H     13.83060772     10.14860282    -11.37059448
  O     15.12459356      9.60228378    -18.22517653
  H     16.76761447      7.01624292    -10.48949103
  H     14.88891854     12.52471239    -15.26081065
  O     13.22203848      9.59354192    -10.85814657
  H     17.97861124      7.70007375    -16.52127704
  H     14.39561861     13.80925851    -14.55742913
  O     14.36053321     12.85729798    -14.51405690
  H     18.36453927      8.84766269    -15.57472302
  H     13.59092880      9.39875626    -17.17440146
  O     12.94007823      9.33570021    -16.46428631
  H     13.92529828      6.08351067    -16.11187024
  H     12.63202752      8.42089693    -16.40968746
          69
 Energy    -248.15114723698383     
  O      1.22996382      0.08176836      5.04298419
  H      0.53547174     -0.56980299      5.24703029
  H     -5.32880780     -0.48889343      3.17768837
  O      1.94666556     -1.08088900     -2.64220378
  H      1.85924611      0.05064196      5.75921073
  H     -2.60467258      0.12150272      3.98440895
  O     -0.77322417     -1.72472004      5.31310824
  H      1.07848509     -0.70497572     -2.44095563
  H     -2.85196672      0.93598645      5.27829538
  O     -0.40583283     -0.15236798     -1.39472843
  H      1.91204051     -1.98788473     -2.31529961
  H     -0.05601887      2.09612018      1.15693469
  O      1.77301186     -3.54323532     -1.13422109
  H     -0.84922437     -2.21327096      4.48741838
  H     -0.56543366      2.61318869      2.51848292
  O      3.25412050     -2.09091106      0.62130815
  H     -1.55376209     -1.15028127      5.34086039
  H     -1.68002230      1.17259186     -1.22479602
  O     -3.53978625      3.04643502      2.96113584
  H      0.16544717      0.23326330     -0.71470419
  H     -1.84653394      2.26259624     -0.15102823
  O     -3.73190037     -3.41510960      2.52890423
  H     -0.64833914     -1.03149799     -1.07410781
  H     -1.58229382      0.85578818      2.02047468
  O     -0.13476281      2.48471602      4.22382461
  H      2.17890166     -4.38548065     -1.32137663
  H     -2.80138800      0.00631397      1.57506421
  O      3.54426409      0.30717364     -0.93398331
  H      2.33989946     -3.09480239     -0.48135780
  H      0.04205607     -3.11117195     -0.63508412
  O     -5.60839005      1.18832596      2.21995824
  H      2.71345153     -1.80461745      1.36938679
  H     -0.80312210     -2.72297887      0.61166580
  O     -4.96208491     -1.25149382      3.63913758
  H      3.51812666     -1.28435632      0.16133871
  H      0.63345100     -1.67505688      2.51789564
  O     -2.85659827      0.04177015      4.91764392
  H     -4.23961713      2.43871150      2.68806695
  H      1.45670823     -0.66903435      3.36447593
  O     -0.83382621      2.47080482      1.59550681
  H     -2.83168348      2.97707205      2.31517660
  H     -3.01881281      3.44037600      6.09999561
  O     -2.30761182      1.82089801     -0.87185194
  H     -4.21290961     -2.66263288      2.91751128
  H     -3.03639806      2.95739843      4.62854059
  O     -2.07620877      0.04959456      2.21204863
  H     -4.17737861     -4.20475646      2.82492715
  H      2.09186848      0.89490247      0.09342149
  O     -0.79965759     -2.72974411     -0.35319979
  H      0.34059097      1.70898302      4.54353281
  H      1.29876870      0.25892671      1.26336908
  O      1.40311196     -1.09361766      2.49826948
  H     -0.89667894      2.60497430      4.80339388
  H     -1.91740354     -2.96702718      2.54162070
  O     -2.67086783      2.77445495      5.51377660
  H      4.26456711      0.76079328     -1.36267002
  H     -1.38643102     -1.53140380      2.38194231
  O      1.25833103      0.94130022      0.57836848
  H      3.04189514     -0.15078159     -1.63214315
  H     -2.69768477     -2.68466650     -0.44170388
  O     -1.09885397     -2.45608505      2.48426094
  H     -5.16121433      0.81033651      1.44041831
  H     -3.74999865     -2.91683511      0.65789925
  O     -3.62032774     -2.51709189     -0.21086124
  H     -6.46613614      1.48572899      1.92670944
  H     -4.00770090     -0.78448482     -0.03459036
  O     -4.11338514      0.12647628      0.27399020
  H     -4.33497338     -0.87633382      4.27297570
  H     -3.56471587      0.72052344     -0.25930079
          69
 Energy    -248.15113642999927     
  O     14.97956458      4.96162139     -9.28070488
  H     15.58257563      4.86930049    -10.03169221
  H     11.71396849      7.68418502    -14.77932742
  O     14.12513757      8.06470180    -16.89136793
  H     14.08778307      4.82545326     -9.62289030
  H     15.68884125     10.46038676    -12.83712144
  O     17.55631298      8.96968293    -14.75532296
  H     13.63761043      7.89047024    -17.69236039
  H     15.32841210      8.97299947    -12.60476675
  O     10.69253421      6.24384252    -14.61603852
  H     13.46728127      8.17391079    -16.18288774
  H     14.34155809      6.85733229    -12.95600424
  O     19.19204170      4.46065775    -12.48151742
  H     18.48215450      8.76488555    -14.57967555
  H     13.65029599      7.69896246    -11.82749683
  O     12.28240404      4.61627270    -13.09916365
  H     17.13263609      9.19767318    -13.91554528
  H     11.52406826      4.88474900     -9.74051319
  O     17.20348133      7.88106252    -10.69551889
  H     11.22153687      5.62449151    -14.08398420
  H     12.41410394      6.05419869    -10.21802609
  O     11.78929535     10.14688420    -10.68928284
  H      9.90109048      5.77251071    -14.85938339
  H     20.04980537      7.78262686    -13.27726216
  O     18.81070938      5.56206991    -14.93149074
  H     19.04801458      4.77198676    -13.39365622
  H     21.00998817      8.34291037    -14.35591055
  O     14.86266195     11.77345286    -13.92261540
  H     19.70321469      3.65843320    -12.53942819
  H     15.59824949      5.14811672    -12.86667934
  O     12.25969637     10.77001292    -13.30975625
  H     13.21235736      4.70784890    -13.34800018
  H     15.42792902      5.66624429    -14.33058187
  O     12.40153351      8.36660150    -14.79578069
  H     12.25629755      4.69982011    -12.13900913
  H     16.40586545      9.97717201    -15.80318853
  O     16.04555975      9.62258818    -12.51982406
  H     16.63755945      7.87149515     -9.91394596
  H     15.07181778      9.69352145    -16.51169745
  O     14.07731258      7.74847129    -12.69189507
  H     16.86156025      8.57288616    -11.27920009
  H     16.72017560      7.45600245    -15.28954855
  O     12.29163525      5.09067128    -10.26912163
  H     11.09473663     10.72324751    -10.38256046
  H     15.53860173      7.00712487    -16.16360601
  O     20.12037741      8.03073460    -14.21668642
  H     11.94244970     10.38732490    -11.61899536
  H     19.66085746      6.21162652    -11.80076084
  O     14.95807486      5.27738797    -13.58037503
  H     17.94807855      5.79528184    -15.29555200
  H     18.95707916      7.46695614    -11.23184280
  O     15.60918763     10.40611393    -16.14676123
  H     19.30415053      6.38835753    -14.85236354
  H     12.51065383      8.61096501    -10.26301883
  O     16.25797224      6.66961854    -15.61657002
  H     15.07001521     12.69818714    -14.02785638
  H     13.71166047      7.85786577     -9.57648527
  O     19.75912160      7.16412351    -11.67798588
  H     15.07989016     11.34051492    -14.76785799
  H     16.88513315      6.14458749    -11.25427003
  O     12.94329642      7.75039615    -10.14999084
  H     13.10918449     11.17714388    -13.51797266
  H     17.56297504      4.83364501    -11.74117547
  O     16.72183255      5.21236319    -11.45639237
  H     12.16228728     10.02890077    -13.92134859
  H     15.21851217      6.59927862     -8.74426567
  O     15.31717012      7.55888133     -8.59980882
  H     12.98443945      8.18860930    -14.04222489
  H     15.44932533      7.68694019     -7.66421777
          69
 Energy    -248.15089217109923     
  O     -4.25835491      0.50524654      3.53032848
  H     -3.88616071      1.38452011      3.67050343
  H     -3.13274615      1.03074035     -0.12898150
  O      0.22840319      3.17472264      2.44474189
  H     -3.52156035     -0.10979032      3.40413751
  H     -5.26624188      3.66227763     -0.40377254
  O     -2.16705394     -1.19157408      2.97380851
  H     -0.50375319      3.39728963      1.85312343
  H     -5.37359745      4.05305245      1.12788306
  O     -4.34078697     -1.38306234     -2.17771643
  H      0.56468283      2.31820722      2.15351552
  H      0.41213858     -0.01467910      1.30659880
  O     -2.43293980     -2.93943584     -0.67484185
  H     -1.78145586     -1.05445081      2.09894091
  H      1.91439389      0.19448626      1.58771259
  O     -4.63024160      1.00793049      0.82729963
  H     -1.52289852     -0.84337260      3.60780421
  H     -6.25932773      4.55175901      3.57799382
  O     -7.98064358      1.22402051     -0.65412411
  H     -3.66687998     -1.90879848     -1.73196446
  H     -5.04231746      3.66079957      3.25780194
  O     -3.28208846      3.12061561      3.52065512
  H     -5.09179843     -1.33572432     -1.57019955
  H     -2.98818753      3.81953260      0.70189273
  O     -3.94843941      1.15730789     -3.02183951
  H     -2.95208808     -3.05668699      0.14246533
  H     -2.01562911      2.69528675      0.35029602
  O     -6.29969805     -0.90159867     -0.23309792
  H     -2.18421056     -3.81226725     -0.96778059
  H     -7.31951067      0.29556545      3.05859504
  O     -6.56571452     -2.64512084      1.94196819
  H     -4.56676560      0.82893803      1.77483056
  H     -5.97084912     -0.14916444      3.65552286
  O     -2.36364266      1.20741894     -0.69514528
  H     -4.76230443      1.95647664      0.70675893
  H     -0.39847409      3.09477035      4.06476328
  O     -4.76796170      3.85807048      0.40474171
  H     -8.84588447      0.98762740     -0.97998756
  H     -0.39885063      3.45424854      5.57181342
  O      1.04390669      0.49204084      1.84204930
  H     -7.48244884      0.39532728     -0.55523939
  H     -0.48560930      1.03369235      4.70126650
  O     -5.93536550      3.89852360      2.96165358
  H     -2.88446791      3.19723092      2.64163084
  H      0.31065922      0.26945509      3.62815062
  O     -2.12608714      3.44994612      0.94432508
  H     -2.54575764      3.12003772      4.14567137
  H     -7.87892938      1.75991633      1.24409713
  O     -6.86287983     -0.46153175      3.45179842
  H     -3.78678031      1.18364445     -3.96126302
  H     -7.22788809      2.53689640      2.41852419
  O     -0.85820787      2.94230502      4.91149584
  H     -4.09924233      0.22297923     -2.78871207
  H     -3.29461308     -2.54753089      2.28760448
  O     -0.25119622      0.14691218      4.40407876
  H     -5.69047692     -0.24938814      0.15044179
  H     -4.71235277     -2.97464541      1.81261829
  O     -7.84247117      1.82557906      2.20492436
  H     -6.45791503     -1.56999599      0.44478360
  H     -1.36071751     -0.07595651     -0.02192473
  O     -3.76967900     -3.10242971      1.65531628
  H     -6.71388318     -1.88763673      2.53896028
  H     -1.29767347     -1.61666333      0.01362705
  O     -0.93699631     -0.82312841      0.42774891
  H     -7.17725725     -3.32712836      2.20457203
  H     -6.69940288      2.30770065     -1.51632946
  O     -5.96352771      2.85984486     -1.81019267
  H     -2.72098351      1.28813423     -1.58679594
  H     -5.33621087      2.28058183     -2.25972741
          69
 Energy    -248.15087789212981     
  O     14.53740085      5.49534277     -9.19484275
  H     15.38055336      5.36080954     -9.64679564
  H     13.58153870      7.88668392    -14.28273799
  O     14.99651511      6.66211886    -16.98344830
  H     13.86494462      5.01719592     -9.69509909
  H     15.56048645     10.71355873    -12.46331245
  O     17.21606080      9.10224435    -14.61821848
  H     14.32016742      7.02620297    -16.39083331
  H     16.54918364      9.67222968    -13.05713828
  O     14.31923655     11.88441542    -13.30249016
  H     14.82075455      7.03392318    -17.84423775
  H     14.84775234      8.62902855    -12.48349420
  O     11.21578075      6.01909380    -14.29849232
  H     18.14446058      9.22194190    -14.37909738
  H     13.52877960      8.05868658    -11.90649685
  O     19.63962616      5.47717124    -11.45284813
  H     17.10343477      8.15815590    -14.80129955
  H     12.74983424      4.04125703    -11.59971526
  O     13.13685849      4.06267114    -13.30165406
  H     14.38162323     11.32027491    -14.09474601
  H     12.13571291      3.32682309    -10.37395878
  O     16.80740958      8.43887391    -10.04908342
  H     14.57127276     12.76389915    -13.57195185
  H     19.70231468      8.90979462    -12.65150076
  O     12.32193237     11.17100019    -11.44931672
  H     10.36726523      5.71887409    -14.61361185
  H     20.60337691      9.66192168    -13.65862060
  O     19.55143926      6.27901030    -14.03908136
  H     11.10512386      6.21615267    -13.35064023
  H     16.02886847      5.45163960    -12.15501168
  O     14.68834916     10.20637205    -15.39129704
  H     19.61645716      5.68039966    -12.40558576
  H     14.96614826      6.35754894    -12.80952400
  O     13.20376381      7.78841679    -15.17019755
  H     20.34296803      4.84724452    -11.32265269
  H     16.37782299      6.38175835    -15.86120053
  O     16.09637220      9.94305146    -12.24392292
  H     12.55178376      4.65622740    -13.78570863
  H     16.46681765      5.99561801    -14.35972178
  O     14.18367117      7.93992738    -12.60560385
  H     14.00883347      4.48343489    -13.28873157
  H     19.62348264      7.35615410    -11.03988977
  O     12.50794367      4.15592619    -10.66343574
  H     16.57315474      9.03041158    -10.77969965
  H     18.63824133      8.43739568    -10.55315492
  O     19.81974727      9.12280076    -13.59483751
  H     16.04708325      8.42318788     -9.45595550
  H     11.40141000      7.20579986    -11.17526600
  O     15.47053764      5.53992349    -12.93797713
  H     11.55010154     11.70426721    -11.62758921
  H     11.45847305      5.66514318    -11.18725499
  O     16.96903862      6.37388908    -15.09593727
  H     12.98482911     11.43751355    -12.10264813
  H     17.88991587      5.48372310    -10.83548808
  O     19.47355381      8.30978653    -11.02002720
  H     19.75925267      7.22042386    -14.01770127
  H     16.92948508      6.63486481    -10.44534625
  O     11.04041991      6.42373012    -11.61327131
  H     18.70607344      6.20615145    -14.50406538
  H     14.32631343      8.19915631     -7.59429046
  O     16.97148776      5.68238488    -10.61611558
  H     14.09699274      9.44673404    -15.46410039
  H     14.41865486      7.13661260     -8.71782057
  O     14.41327150      8.09604170     -8.53825272
  H     15.58247571      9.85137787    -15.29727730
  H     12.38080139      9.50269640    -10.77286888
  O     12.45921789      8.56987211    -10.52562817
  H     12.43112743      7.22432775    -15.04193954
  H     13.07718735      8.50284554     -9.78728522
          69
 Energy    -248.15068550935578     
  O     12.56058721     11.58585411    -15.52511934
  H     12.49836589     10.67717406    -15.85336243
  H     12.28645655      5.94370854    -14.79352226
  O     14.53625585      6.70454118    -12.69382777
  H     13.42081341     11.90625350    -15.81776824
  H     17.46848357      5.79394402    -13.52760867
  O     18.09381441     10.50597816    -13.20423499
  H     15.45233936      6.42384932    -12.59466344
  H     17.45606101      7.24896941    -13.11582983
  O     17.41623700      8.36010053    -14.92677361
  H     14.55699663      7.46894336    -13.29330520
  H     15.98887594     10.59763947    -16.91919543
  O     10.91013339      7.26216975    -14.84950115
  H     18.27994798     10.18790276    -12.31178305
  H     16.88322652      9.38671470    -16.56608629
  O     15.96892588     10.59995230     -9.50258378
  H     18.06749835      9.74291400    -13.79546151
  H     14.93081208      9.76705683    -14.04213525
  O     13.31202831      8.27737955    -10.81040984
  H     16.45951461      8.46072460    -14.79268622
  H     14.04865311      8.89996708    -14.99589639
  O     15.57010609     11.43449803    -13.53466169
  H     17.57242054      7.45163597    -15.21505660
  H     11.98470264     11.64117922    -13.88761744
  O     15.17237868      5.72352495    -16.53205033
  H      9.99164557      7.02419286    -14.94166231
  H     10.98469254     12.26553182    -12.88686195
  O     15.10700423      8.00249660     -8.66001531
  H     10.98446828      7.78089283    -14.02776866
  H     17.37249377      6.75751157    -10.89194250
  O     17.60207406      5.57213333    -15.43944578
  H     15.63119085      9.80037047     -9.07886408
  H     17.79029841      8.05391388    -10.17823453
  O     13.09610441      5.42315386    -14.74234756
  H     15.26528335     10.90293128    -10.09024669
  H     11.80512913      8.55632244    -11.91518167
  O     17.34751829      6.36184896    -12.75532262
  H     13.71842235      7.65386991    -11.43148172
  H     11.28201804      9.74266458    -12.75129508
  O     16.31992973      9.75476053    -17.25537987
  H     13.78145247      8.15994186     -9.97609915
  H     19.07997265     10.22021705     -9.96094664
  O     14.76004101      8.86637844    -14.34430049
  H     16.49070334     11.19225661    -13.34769423
  H     17.54281562     10.17947838    -10.13136549
  O     11.66610069     11.60345896    -12.96816819
  H     15.05638065     11.36707096    -12.72013720
  H     15.15379748      8.61840303    -17.89645230
  O     17.31190440      7.22382506    -10.05024355
  H     14.91902284      6.43100551    -17.13377250
  H     14.46337762      7.96305592    -19.11680304
  O     11.20456741      8.78832412    -12.63475962
  H     14.41014096      5.55502234    -15.95813392
  H     13.71961471     10.02004296    -11.21778279
  O     18.38140982      9.81652324    -10.47032041
  H     15.87363890      7.63815622     -9.13858685
  H     13.11166469     11.29808811    -11.83941660
  O     14.47386169      7.97400749    -18.16339345
  H     15.08681524      7.57590287     -7.80775083
  H     15.42364840     12.00009351    -15.16914289
  O     13.89637897     10.95619491    -11.39216429
  H     18.15222674      4.99754190    -15.96342168
  H     15.69850926     13.03710145    -16.28308067
  O     15.30389374     12.18416101    -16.11825451
  H     16.71581181      5.56314860    -15.84772381
  H     12.04528571      8.28244280    -15.88128338
  O     12.68987791      8.91366968    -16.22651382
  H     13.54251758      5.71973998    -13.93780303
  H     13.16230160      8.51319386    -16.96701055
          69
 Energy    -248.15060054886959     
  O     13.34294088     11.33665480    -16.05081816
  H     13.63729049     10.48200273    -16.39691351
  H     14.66300090      5.67149852    -15.44324166
  O     15.18601716      6.82035046    -12.63182108
  H     14.14141685     11.85751133    -15.90870682
  H     20.19044973      6.71484761    -12.55301135
  O     16.97409931     10.40894551    -10.87490930
  H     14.38795570      7.15988528    -12.20585870
  H     18.96063225      6.18112684    -13.32076564
  O     18.31432217      8.79217827    -14.74036018
  H     15.92666000      7.04115068    -12.04812962
  H     17.21889510     10.14782285    -17.32740731
  O     12.99992570      6.43474753    -16.01907771
  H     16.54032783     10.89120032    -11.58949718
  H     17.97913135     10.19298248    -15.99163618
  O     12.86129046     11.51506546     -9.27527314
  H     16.46082302     10.58606500    -10.07656926
  H     15.38931969      8.25338045    -13.70917250
  O     13.09297587      8.11923884    -11.36481153
  H     18.74559502      8.31000362    -14.02664699
  H     15.14572968      8.95541069    -15.08838763
  O     15.48426406     11.45544324    -13.04608441
  H     17.38545697      8.90577309    -14.48162985
  H     10.62337337     11.02803323    -14.51773023
  O     17.48808882      6.85054180    -16.57166661
  H     12.60823203      6.88863073    -15.24979013
  H     12.11631976     10.93973787    -14.91530798
  O     14.90526287      7.92579329     -9.28737764
  H     12.30141124      5.92258929    -16.41768568
  H     11.73259540      8.76027135    -14.11148794
  O     18.29870237      5.00174630    -14.49945019
  H     11.98737826     11.29494816     -8.96156037
  H     12.22916063      7.79057056    -13.02383900
  O     15.51547346      5.53418839    -15.01528676
  H     12.84834766     11.35897966    -10.23384325
  H     17.19923764      8.65825413    -10.99269613
  O     19.29123077      6.92683190    -12.79188916
  H     13.60794432      7.99312421    -10.55316797
  H     18.00359538      7.42132299    -11.49479565
  O     17.52206166     10.74809318    -16.63713039
  H     13.08929982      9.07060434    -11.53449665
  H     14.46741940     11.01255807     -8.74718413
  O     15.61509328      9.02216636    -14.24793876
  H     15.51504890     10.56676850    -13.43773434
  H     15.60779801     11.05383773     -7.70526593
  O     11.45635263     10.64016058    -14.26372545
  H     15.64055364     12.05616577    -13.78239601
  H     16.93686751      7.92173041    -17.83635224
  O     11.96266428      7.83698875    -13.95047226
  H     17.86159415      7.51007573    -15.96798234
  H     16.78920750      8.44118277    -19.28819823
  O     17.21500211      7.68692303    -11.00947829
  H     16.77318286      6.41182254    -16.08718866
  H     13.87167511     11.17457408    -12.29221438
  O     15.34740253     10.65925356     -8.53362210
  H     15.04640942      8.80574436     -8.91652063
  H     12.40215624     10.87822826    -12.69754840
  O     16.55338006      8.63001036    -18.38409776
  H     15.73705017      7.69530583     -9.71989040
  H     16.14376403     13.50300030    -15.89800172
  O     13.01024666     10.89705838    -11.94844566
  H     17.34197403      4.87343321    -14.48148910
  H     16.46932029     11.99562720    -15.97247834
  O     15.85655367     12.64768597    -15.58930849
  H     18.44744696      5.41526856    -15.35731901
  H     14.99436735      8.72366545    -17.39586002
  O     14.30234946      8.81874677    -16.72930617
  H     15.40690463      5.90000180    -14.12317641
  H     13.84772433      7.97258439    -16.63175454
          69
 Energy    -248.15052279642583     
  O     -2.14224797      0.59126745      1.36632854
  H     -2.30757861      1.23891667      2.06297031
  H      1.26922355      1.34397528      2.72147862
  O      0.26221292      2.72998620      2.39117984
  H     -1.53939469     -0.06556903      1.73870470
  H     -3.80016193      0.24252715      5.85274565
  O     -4.76832675     -2.00947110      1.72192156
  H     -0.58255686      2.70110200      2.86508572
  H     -3.31084384     -0.48241683      4.58030503
  O     -0.41118461     -4.91689028      0.72887384
  H      0.04282299      2.75106908      1.45570803
  H     -2.77961761      1.82515353      4.06530763
  O     -2.66625888     -4.45725514     -1.01026626
  H     -4.56274478     -1.50632784      0.91935593
  H     -2.91851540      2.99410781      3.01562751
  O     -5.01582319      1.97530630     -1.12693432
  H     -4.83892169     -2.93467014      1.45935219
  H      1.17449147     -0.70490720     -0.15795276
  O     -2.32180618     -4.63565600      2.65397356
  H     -1.03143247     -4.82764054      1.47438538
  H      1.80475790      0.26602645      0.85610075
  O     -2.03116367     -1.81729773     -1.74520207
  H      0.08833328     -5.71457587      0.88078477
  H     -1.16161023      1.42761244      0.15809509
  O     -2.66941695      3.68575277     -0.78539436
  H     -2.48673970     -3.59510238     -1.40914107
  H      0.28317308      1.39834275     -0.38578331
  O      0.10722553     -2.27612030     -0.01910615
  H     -1.85515055     -4.71441658     -0.55575681
  H     -6.13645507      1.68756544      1.92148156
  O     -0.73070027      0.36686569     -2.87565254
  H     -4.26299218      2.57720556     -1.10975274
  H     -7.21748866      2.71407940      1.51284717
  O      1.75366731      0.50158736      2.78971664
  H     -5.53487124      2.17461251     -0.33595272
  H      0.35332072     -0.71491849      2.72294750
  O     -3.64692442      0.36443982      4.91877388
  H     -2.44299237     -3.84760974      3.19482988
  H     -0.21152518     -1.67836349      1.64020429
  O     -2.29329086      2.40216828      3.46565220
  H     -3.14638943     -4.74880888      2.16312137
  H     -5.21198744     -5.35516878      0.66583529
  O      1.54969848      0.18201100     -0.07075003
  H     -1.61067981     -1.14670968     -2.29921297
  H     -3.95685679     -4.60989938      0.14997763
  O     -0.54868106      1.89558628     -0.43172459
  H     -2.78223707     -1.37997418     -1.31757339
  H     -3.34575631     -0.05930244      0.27394925
  O     -6.30989760      2.46453304      1.36085060
  H     -1.87162398      3.13726006     -0.74490638
  H     -4.42735559      0.31667499     -0.76553610
  O     -0.41201204     -1.25441828      2.48750073
  H     -2.46724506      4.41196833     -1.37195543
  H     -3.48257275      3.89601304      0.95922531
  O     -4.57581375     -4.68477974      0.89896590
  H      0.07797557     -3.21838525      0.19167048
  H     -4.76682519      3.46216902      1.69569176
  O     -3.96749876     -0.43564947     -0.36920945
  H     -0.63122051     -2.10422021     -0.62120035
  H     -5.12048950      0.42455482      3.67372498
  O     -3.89401695      3.85375341      1.83044476
  H      0.16038702      0.39033521     -3.22136630
  H     -5.55287504     -0.52101082      2.53917671
  O     -5.74072465      0.33721325      2.94153806
  H     -0.72692301      0.96109462     -2.11350102
  H     -3.43605627     -1.96517215      2.98801563
  O     -2.78662864     -1.96910192      3.70831855
  H      2.49086595      0.65289672      3.37456183
  H     -1.91944623     -1.75597984      3.33171559
          69
 Energy    -248.15037206529891     
  O     10.41734003      9.28320791    -12.18946719
  H     11.13277282      9.64248094    -12.74016939
  H     15.87465817      4.97788798    -17.50965883
  O     14.22694320      5.94188956    -14.52975491
  H      9.73170358      9.94632442    -12.16652575
  H     18.22013892      6.31800179    -14.86722834
  O     15.86845712     12.02245916    -12.66975607
  H     13.48918442      6.50915795    -14.80050066
  H     18.03675119      7.47496800    -15.86805608
  O     15.53755626     10.50456712    -17.16404169
  H     14.70063221      5.67772414    -15.32839588
  H     14.83422977     12.00301849    -14.34168208
  O     12.29597991      7.76021097    -15.25648671
  H     15.71333926     12.73535731    -12.05487330
  H     14.66493110     11.43159809    -15.76915943
  O     16.93844335      7.47908364     -9.39408858
  H     15.42968085     11.23497926    -12.30337323
  H     15.27266779      7.36330610    -14.11422950
  O     13.98985045      5.40080544    -11.82648335
  H     15.57184310     10.87932957    -18.04034626
  H     16.33180165      8.45706876    -14.51285436
  O     14.70803200      9.66242201    -11.93464014
  H     15.05319686      9.66166361    -17.23791509
  H     12.33555841      7.71335686     -9.98895351
  O     14.26495706      8.12515512    -17.25213233
  H     12.43560659      8.58780248    -14.77666720
  H     11.07818280      8.23681978    -10.73771162
  O     16.66583755      5.01717760    -10.98165558
  H     11.53865371      7.33213578    -14.83034736
  H     19.70139403      8.54924027    -11.20793499
  O     17.53652373      9.24103677    -15.65352417
  H     17.35238409      7.52914289     -8.53509544
  H     18.58419251      7.75752375    -11.92243808
  O     15.72884170      5.66953898    -16.87002321
  H     17.54186254      7.91185256    -10.01711146
  H     10.68474027      4.53019539    -10.89479669
  O     18.07436489      6.50934934    -15.80154074
  H     14.09017450      5.52030337    -12.78167874
  H     11.21602276      5.98393662    -10.84686026
  O     14.18294720     11.82297420    -15.02986335
  H     13.06514948      5.17048199    -11.67251774
  H     18.33095278      9.96152739    -12.60603184
  O     15.84761676      8.06148149    -13.77586318
  H     15.16807411      9.11845768    -12.59591345
  H     17.48461645     11.15701519    -13.09642961
  O     11.38925964      7.56527348    -10.11753978
  H     14.47839089      9.06567616    -11.21276617
  H     17.59665107      5.80230442    -12.32526186
  O     18.75334411      8.49546712    -11.31042190
  H     14.75978110      7.29798941    -17.22539742
  H     17.19759074      7.00191401    -13.21941411
  O     11.22274908      5.15989519    -11.36723491
  H     13.48975318      8.00006606    -16.68899293
  H     15.10195242      7.59963086     -9.76410268
  O     18.21188174     10.57063701    -13.34245244
  H     15.73218460      4.99418608    -11.23355800
  H     14.15629782      6.87113650    -10.75298881
  O     17.95190090      6.46032715    -12.94031945
  H     16.74246706      5.71169944    -10.31796557
  H     12.97996119     10.74700920    -14.24265826
  O     14.21781450      7.62753211    -10.14918963
  H     17.86677863      9.78967423    -14.92560178
  H     13.25649483      9.88015595    -13.00394045
  O     12.58540068     10.07026363    -13.67412162
  H     16.95782383      9.77819711    -16.20792666
  H     10.21894446      7.58900514    -13.11403689
  O     10.34530707      6.76699000    -13.60475880
  H     16.60381913      5.92505634    -16.52722780
  H     10.60571755      6.11162805    -12.94693728
          69
 Energy    -248.15035312764348     
  O     10.51049673     12.81075914    -11.75055351
  H     10.52988921     12.60190570    -12.69141199
  H     12.65440885     12.83126017    -13.99524469
  O     13.88113420      8.66331693    -17.54685039
  H     10.09529628     12.06671347    -11.29882232
  H     15.25203799     10.21447621    -11.60095437
  O     11.41586450      9.09603531    -11.71412408
  H     12.92810425      8.85843123    -17.49386765
  H     16.75326667     10.51487582    -11.81934741
  O     14.35738034      8.90775807    -14.76628517
  H     13.99100810      8.00331942    -18.22553047
  H     14.52448913      7.88993376    -13.13231113
  O     14.30015480     11.48602446    -17.27392565
  H     11.97442127      8.64098121    -11.07069493
  H     15.43408463      8.23108270    -11.95974594
  O     11.64509664      9.43443021    -14.39853553
  H     10.70431170      9.53177680    -11.22802570
  H     13.33198376     14.94690771    -11.39874615
  O     13.33117982      8.13851053     -9.88703843
  H     14.83322980      9.74791328    -14.70751827
  H     13.85097224     16.18340848    -12.17764716
  O     13.60557858     10.95379940    -11.78047155
  H     14.30544601      8.68565278    -15.70464621
  H     16.93729321     12.60312756    -12.07025743
  O     11.77969779     10.22384939     -8.56460555
  H     14.27202474     10.54522458    -17.48883511
  H     18.33944782     12.38535025    -12.68790835
  O     15.91237592     13.51481382    -10.97792736
  H     14.86153342     11.55630896    -16.49152396
  H     11.21473367     11.19270283    -14.42763276
  O      9.61875663     10.58770362    -10.17764842
  H     11.43292803      9.17135369    -13.49305042
  H     11.13039039     12.33933744    -15.45040382
  O     13.56357339     12.97011049    -13.69719230
  H     12.59203133      9.27070058    -14.51266969
  H     13.78625747     11.64996946    -10.17127268
  O     16.14747165      9.90515545    -11.38449540
  H     13.75779880      7.80574122    -10.69395794
  H     14.56985161     11.30347069     -8.88700709
  O     14.72843979      7.62707934    -12.22609693
  H     14.04355046      8.54629983     -9.38065946
  H     16.32920833     11.61741305    -14.16413232
  O     13.94608667     15.23883534    -12.09909541
  H     12.83286386     10.38282102    -11.85211571
  H     14.86916327     12.03839866    -14.42149846
  O     17.45568222     12.02866706    -12.66257139
  H     13.53126435     11.66371295    -12.43046723
  H     12.64358493     12.09218274    -17.25631811
  O     11.05971575     12.14631677    -14.50670246
  H     12.44380646     10.91854058     -8.63530446
  H     11.54681188     12.91735811    -17.96717710
  O     13.99632432     11.97462435     -9.27809419
  H     12.21103055      9.42305680     -8.88812381
  H     15.88900003      9.71598485     -9.64433847
  O     15.57585913     11.45477001    -14.74121993
  H     15.34120516     14.18994083    -11.36662779
  H     16.22873303      9.32895884     -8.18284157
  O     11.69425231     12.30986913    -17.24720544
  H     15.38569137     13.08670574    -10.29562134
  H     12.81906893     13.50337626     -9.70941630
  O     15.52826682      9.65465410     -8.74209599
  H      8.78614917     10.44127823     -9.73682556
  H     11.66768935     13.70551579    -10.73667157
  O     12.36039364     14.16603305    -10.23542426
  H     10.31473946     10.51767260     -9.50007376
  H     11.27663145     10.39972321    -17.31573575
  O     11.30120805      9.44582279    -17.17336346
  H     13.62703083     13.82057495    -13.24669495
  H     11.23798845      9.32892224    -16.21433365
          69
 Energy    -248.15030386185947     
  O     13.35459678      8.39319272    -11.10254680
  H     13.34893700      9.14999119    -11.70428361
  H     16.68888356      4.54182250    -11.41526486
  O     14.03411510     11.13903134    -16.44865431
  H     13.90324501      8.62307721    -10.33615826
  H     18.77966587      8.31527149    -12.42986671
  O     16.53609010     10.78139398    -12.56467105
  H     13.75488894     10.25109066    -16.18895486
  H     18.93090081      8.69918723    -13.91147874
  O     14.42989047      4.01235828    -14.70054807
  H     13.66376403     11.73743631    -15.78844715
  H     14.32786694     13.04368199    -14.13259203
  O     16.00539486      6.64518941     -7.78695440
  H     16.91225372     10.20575899    -11.88964673
  H     12.89004421     13.61165045    -14.03900229
  O     16.08328784     13.13141073    -14.09683307
  H     15.60224214     10.54612453    -12.66580932
  H     14.46336323      8.35569131    -15.34174459
  O     15.60499194      7.29655500    -12.40701155
  H     15.27909159      4.37725071    -15.00987553
  H     13.05640215      7.83106605    -14.99454595
  O     13.79132383     10.28296418    -13.04052580
  H     14.25338598      3.23898854    -15.22898308
  H     16.85968355     12.18296422    -17.45071980
  O     17.51664780      8.63344275    -10.96405365
  H     15.70349037      5.76041562     -7.59407409
  H     15.73547164     11.53280347    -16.61131902
  O     18.99147731      5.34606412    -13.60638299
  H     16.84955539      6.54124855     -8.25037280
  H     13.15862889      5.46703213    -14.56151165
  O     16.76818550      5.14924316    -15.37634030
  H     16.36696979     12.47034463    -13.45146290
  H     12.41015436      6.09116127    -13.37926113
  O     17.61319568      4.72875863    -11.20775175
  H     16.39625082     12.81461637    -14.95364595
  H     11.63584100      5.68636965    -10.94838019
  O     19.19447889      8.04101446    -13.25545676
  H     15.49585182      6.34252624    -12.30968948
  H     12.68019596      6.78547929    -11.25061451
  O     13.38369420     12.81051665    -14.18935127
  H     14.81415270      7.70162207    -12.02805698
  H     14.05982342      4.91795689    -11.68643841
  O     13.53756416      8.62861583    -15.25486376
  H     13.52759395     11.16755072    -13.32103199
  H     14.75983626      4.28124418    -12.91001509
  O     16.66784503     11.81420517    -16.59272193
  H     13.67807091      9.70121739    -13.80728967
  H     18.10865846      5.82387262     -9.98720012
  O     12.57955945      6.20073815    -14.32141250
  H     17.90666080      8.01786405    -10.33047557
  H     19.23912523      6.27658604     -9.02569404
  O     12.43897143      5.86014839    -11.43234081
  H     16.87440625      8.11655938    -11.48007367
  H     15.98893198      7.64077600    -14.14251670
  O     14.91390298      4.60324016    -12.01072968
  H     19.08356681      6.31112649    -13.51814092
  H     16.79272838      8.54258992    -15.11957866
  O     18.36427269      6.49973846     -9.33203679
  H     19.85399518      5.01152910    -13.83990131
  H     16.00733496      9.05783011     -9.64715062
  O     16.14998026      7.82403097    -15.08119965
  H     17.55475397      5.10639335    -14.82045804
  H     15.35740049      8.16808384     -8.58241555
  O     15.18549248      8.92146935     -9.16615014
  H     16.56422681      6.09232375    -15.45661481
  H     17.62164540     10.58433209    -15.56172913
  O     17.89330186      9.97680544    -14.86269275
  H     18.06992661      4.85902426    -12.04901675
  H     17.45579015     10.29035444    -14.05648310
          69
 Energy    -248.14997026733778     
  O     -1.68343280      3.67468039      3.23508086
  H     -2.32549125      4.22259109      3.70197517
  H     -3.95249921      2.06189837     -1.42202059
  O      0.84484011      3.93811323      0.14105158
  H     -1.81316900      3.82962981      2.28760295
  H     -6.19047990      3.36828646      2.90342331
  O     -0.97517804     -0.56276206      2.29571308
  H      1.49683609      4.57914779     -0.12991266
  H     -5.52391105      4.08016307      1.69483990
  O     -5.13683356     -0.64049310     -0.50437344
  H      0.99787225      3.76275245      1.08775221
  H      1.04372508      2.04769369     -0.22541777
  O     -3.04373197     -2.32951739     -0.64819151
  H     -1.13018906     -0.35149273      1.36398795
  H      0.33183199      0.68242770     -0.40491940
  O     -4.35518035      1.18723023      1.46742587
  H     -0.05847074     -0.32217917      2.47669583
  H     -3.80068582      5.81325824      5.05726222
  O     -5.96663884      3.41965710      4.79756487
  H     -5.34992321      0.00280073     -1.19175285
  H     -4.54867673      4.55223248      4.57253386
  O     -7.39729797     -0.64015161      1.20706557
  H     -4.90247464     -0.11782277      0.27977307
  H     -2.35312979      3.49230119     -0.05936145
  O     -2.63021993      1.12851709      3.69282164
  H     -3.17883703     -3.06311257     -1.24185703
  H     -1.00144837      4.18212304      0.26669223
  O     -5.72049704      1.62703291     -2.07721503
  H     -3.85179543     -1.78556643     -0.67820226
  H     -4.07912636      5.48433036      2.45779992
  O     -5.72696207     -1.49994512      3.41509182
  H     -3.80044547      1.09919628      2.25053167
  H     -3.48014092      5.10883099      1.08527676
  O     -3.19911581      2.08407128     -0.82154694
  H     -5.01644121      1.86735015      1.65494094
  H     -5.43677774      0.09380620      4.40451683
  O     -6.08291332      3.32961116      1.94723326
  H     -5.68271186      2.48857729      4.86119700
  H     -4.17183344      0.94139347      4.60417154
  O      1.17352150      1.09355724     -0.16511221
  H     -6.74548336      3.50726439      5.34050814
  H      1.24798564      2.32617458      2.82425252
  O     -3.80339724      5.14247470      4.37835376
  H     -6.93871542     -0.86677810      2.02488129
  H      0.16447406      3.40337469      3.10192634
  O     -1.93958575      4.17026267      0.49343026
  H     -6.76896200     -0.86797641      0.50996963
  H      1.56124038      0.65600223      1.48047092
  O     -4.29769234      5.37758865      1.52443685
  H     -2.00147387      0.50789992      3.30177194
  H      2.48902397      0.07157665      2.57465763
  O     -5.10782329      0.88449980      4.84777709
  H     -2.25715402      2.01443904      3.58950869
  H     -3.26444354     -2.38816932      1.28771138
  O      1.06072491      3.27071972      2.76398966
  H     -6.37880182      1.79180161     -1.37595217
  H     -2.48888736     -1.73184992      2.42724627
  O      1.63399053      0.46977934      2.43507683
  H     -6.14707898      1.83203207     -2.90423897
  H     -1.85927140     -0.86003595     -0.63014326
  O     -3.32717345     -2.16467858      2.22325858
  H     -6.01054524     -2.28552727      3.87776530
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  H     -7.58618821      1.06033411      0.44004094
  O     -7.44988387      1.90205854     -0.01737779
  H     -3.55359186      1.80041377      0.03815756
  H     -7.11467988      2.51360054      0.65164336
          69
 Energy    -248.14988522837291     
  O     -0.63150416      8.51590036      3.87165700
  H     -0.91492535      8.19146640      3.00591829
  H      2.70918957      4.33631131     -1.28072840
  O      3.64665903      7.94154784      4.08086072
  H     -0.46855135      9.45981178      3.76029650
  H      5.31539394      8.42037892      0.82957712
  O      1.63544950      8.38965030      1.01008520
  H      2.87238293      7.48331176      4.42566869
  H      4.93413376      8.50479156     -0.65773828
  O     -0.01395240     11.26212943      3.31264157
  H      3.32522706      8.80385392      3.77657401
  H      1.30978175      5.34897883      3.75113992
  O     -1.02499249      7.72547239      1.21574322
  H      2.11320956      7.55729673      1.12683442
  H      2.06843050      5.15023036      2.42422087
  O      4.21333644      7.49697532     -2.17243692
  H      1.94493911      9.00524696      1.68676082
  H      3.30781651     11.67239907      0.22922365
  O      1.88613068     11.89849070     -1.08543407
  H     -0.31036383     12.05349661      3.75383786
  H      4.40297545     10.62773348      0.57705493
  O      0.33749089      3.01100040      1.34074963
  H     -0.16456953     11.40001073      2.35995457
  H      3.00406933      5.72947041      0.23635773
  O      2.55975105     10.19379051      2.94672006
  H     -1.10434009      6.81363133      0.90056332
  H      3.91500899      6.27090754      1.40546759
  O      2.39532267      2.73783230     -0.54084478
  H     -0.08950370      7.97089001      1.14427588
  H     -2.99492764      9.61364972     -0.44158469
  O      2.06422885      9.21905765     -1.56923097
  H      4.76534950      7.34587566     -2.93591871
  H     -1.76025672      8.89642535      0.15416661
  O      2.72843612      5.26912042     -1.54056772
  H      3.75613235      6.65956249     -1.99000655
  H     -0.94058504     10.96081795      0.18806475
  O      5.19300217      9.03995765      0.09964514
  H      1.97493275     10.96926288     -1.35816668
  H      0.38488709     11.75523698      0.06107431
  O      1.48340864      4.70568566      3.05533329
  H      1.97064968     12.42701819     -1.87501800
  H      0.95355560      6.69787150      5.87548121
  O      3.91162763     11.38843537      0.92340665
  H      0.72162031      3.58810455      2.02779860
  H      0.51998394      7.41543892      4.57996592
  O      3.01865524      6.00531922      1.16025042
  H     -0.22430192      2.38416425      1.78828919
  H      6.17273006      6.79815927      2.58506195
  O     -2.04319132      9.57206259     -0.48811821
  H      3.06410787     10.72042451      2.30647839
  H      4.78539016      7.39632324      2.92198690
  O     -0.35701255     11.57432160      0.65046160
  H      1.74254844     10.65960648      3.15618498
  H      0.44946259      8.73986968     -2.26906849
  O      1.16642613      6.78875461      4.95025059
  H      1.66852020      2.79152991      0.09900584
  H     -1.04839840      8.80876222     -1.91063358
  O      5.35501421      7.08854790      2.19143104
  H      2.95431978      2.02486477     -0.24095266
  H     -0.11259382      6.68337368     -2.48976629
  O     -0.41816427      8.37967506     -2.50123987
  H      1.91575239      8.95296766     -0.64699922
  H     -0.24211529      5.32624440     -3.22058796
  O      0.12374338      5.73979275     -2.44276146
  H      2.82026698      8.71298525     -1.88615250
  H     -0.60527857      4.45596379      0.50927593
  O     -1.04078012      5.22046205      0.11640970
  H      1.84044374      5.47790047     -1.86265947
  H     -0.66688981      5.32386568     -0.76706307
          69
 Energy    -248.14978378369406     
  O      2.38372433     -1.01211205      6.63561374
  H      3.20811394     -1.17429175      6.15484599
  H      3.56539688      2.77315894      3.44579211
  O     -0.86112803      1.87576819      7.08137209
  H      2.12677162     -0.09877515      6.45242409
  H      1.62165675      1.80273368      2.86645551
  O      0.71324889     -4.86774820      2.42385834
  H     -0.99225905      0.94776520      7.34832983
  H      0.88982506      0.43485494      2.76485213
  O      2.38049128     -5.06234059      7.27859945
  H     -1.33473951      2.41327812      7.71005674
  H      5.71817292      0.48567364      1.02937219
  O      4.51054020     -1.51072582      4.95259900
  H     -0.00457209     -4.25455143      2.23752880
  H      4.70135302     -0.30105875      1.88488602
  O      4.00454820     -4.23953432      5.27948989
  H      0.59692757     -5.13734687      3.34821965
  H     -0.86989532      1.21272470      3.89507283
  O      0.72416785     -2.80696262      7.96192793
  H      3.03073744     -4.76634026      6.61539561
  H     -1.51721780      1.42714895      5.27439277
  O     -1.20851869     -0.76631152      7.53758870
  H      2.81763480     -5.71526508      7.81870806
  H      4.10489552      3.63087976      5.86554415
  O     -1.52749711     -3.99929564      6.49887071
  H      5.10079605     -0.74374131      4.95676217
  H      3.17532088      2.42318211      5.61216206
  O      3.69843197     -1.75720256      2.22080072
  H      4.17381697     -1.58308882      4.05041167
  H      0.95713559     -3.32271978      4.84008745
  O      5.88508515      0.82712625      4.59172013
  H      4.32429483     -3.32740031      5.28101491
  H      1.46620776     -1.94513391      5.38622990
  O      3.23960631      2.51463469      2.57482550
  H      3.80948835     -4.44427369      4.35794690
  H      3.80188536     -5.25180205      1.96031104
  O      0.86068069      1.30019462      3.19300839
  H      1.33485014     -2.12595607      7.64056798
  H      2.44728604     -4.64373850      2.38618543
  O      5.17567956      0.54327905      1.81217215
  H      1.22749623     -3.62755244      7.89683611
  H     -0.75414399     -1.91185502      4.78458139
  O     -1.64806883      0.99057573      4.42504613
  H     -0.59469203     -1.43138319      7.87304227
  H     -1.79761811     -0.77087574      4.57932893
  O      4.00142391      2.84868429      5.32922978
  H     -1.53778564     -1.11236555      6.70137796
  H     -1.66079401     -2.49475136      2.99988737
  O      0.97425406     -2.37283363      4.67470779
  H     -1.85472414     -3.29995884      5.92067646
  H     -2.24281880     -2.95414272      1.65121152
  O      3.41237074     -4.53575066      2.45602928
  H     -0.88092739     -3.58175638      7.08399814
  H      1.17636408     -5.32041832      5.86154624
  O     -1.70553585     -1.72193791      4.74867748
  H      3.72352027     -2.72289176      2.22110271
  H     -0.29166013     -4.91606884      5.58181385
  O     -1.42341534     -2.84821863      2.12963289
  H      2.77244534     -1.51790534      2.07262117
  H      1.35537490      1.42390760      4.92876442
  O      0.54056477     -5.16707849      5.15285707
  H      5.32641312      1.55017787      4.90416331
  H      0.81792216      1.77295418      6.34423865
  O      1.61968549      1.55539596      5.85202109
  H      5.78902459      0.81569365      3.63091718
  H      0.18202340     -1.69736525      1.83612437
  O      0.97942186     -1.29666516      2.19468821
  H      3.89628054      1.90164625      2.22215232
  H      1.06810972     -1.68737489      3.08186651
          69
 Energy    -248.14975312587882     
  O      9.50519243     11.64685731    -11.02451926
  H      9.66850106     11.78214197    -11.97048184
  H     11.97162392     12.46777285    -13.24329496
  O     13.02499018      8.08181779    -16.61346769
  H      9.31384584     12.50934427    -10.66248293
  H     15.80645430      8.95733804    -11.28550804
  O     11.33164672      9.70389196    -10.36000240
  H     12.07986095      8.19762174    -16.40525916
  H     16.49425242     10.32713339    -11.63342725
  O     13.87954148      8.75287866    -14.04148232
  H     13.08201927      7.40060441    -17.27737265
  H     15.23697708      6.59651305    -12.12887018
  O     13.46683446     13.08084094     -8.86901283
  H     10.59972104     10.32362918    -10.49785179
  H     14.52782600      7.85484779    -12.68533464
  O     13.19402982     10.95882698    -16.76889286
  H     12.15191223     10.19680009    -10.53382293
  H     13.57411780     14.28572471    -10.37666628
  O     11.23384073      9.05934691    -13.12996484
  H     14.21473793      9.65523294    -14.14663301
  H     13.44434493     14.17134293    -11.91120304
  O     14.07076364      8.82075094     -7.27023842
  H     13.67339688      8.41994594    -14.92458282
  H     13.71031419      7.57045175    -10.35680749
  O     13.60149807     11.13978588    -10.84887983
  H     14.36499378     13.13511427     -8.51553490
  H     12.41584991      8.24996975     -9.84464052
  O     12.17226650     10.90508545     -7.74148294
  H     12.97800338     12.43382002     -8.33954759
  H     16.82767804     12.35939173    -12.19384731
  O     16.39416330     13.51563731    -11.02360821
  H     13.82277924     11.19220597    -16.07352007
  H     17.93993799     11.81481502    -13.12249377
  O     12.87161443     12.70301537    -12.98847283
  H     13.25069983     10.00067044    -16.86540710
  H     10.30384118     11.72761004    -14.64032763
  O     16.07381801      9.81415742    -10.93119953
  H     12.16342340      8.96355582    -13.37864390
  H     10.65954674     10.74371407    -13.50536103
  O     14.89160810      7.45023937    -11.87951779
  H     11.19920190      9.09832306    -12.16728957
  H     16.72836380     13.40974257     -7.48634913
  O     13.87255041     14.67724837    -11.20856549
  H     13.78070453      8.35533089     -8.07469187
  H     16.27657790     12.07549627     -8.13145568
  O     13.16194057      7.69831609     -9.57459936
  H     14.02891018      8.18826497     -6.55757001
  H     14.10824294     11.91897614    -13.99782402
  O     17.04970403     11.64800483    -12.82510478
  H     14.45776777     10.69733561    -10.84572932
  H     15.59807733     11.48324133    -13.98987421
  O     10.37086032     11.65247716    -13.68085895
  H     13.61858365     11.82115626    -10.16100381
  H     10.19852288     11.95577295    -17.21466268
  O     16.20273790     13.04520532     -8.19284310
  H     12.82275785     10.24929990     -7.45812837
  H     11.49216338     11.36690322    -16.60344243
  O     14.75573144     11.34775856    -14.43933289
  H     11.68394680     10.48145539     -8.45412975
  H     16.30293961     10.10673927     -9.13368147
  O     10.53173224     11.46034275    -16.47140152
  H     16.45667585     13.38618647    -10.07093761
  H     15.56076041      9.82794559     -7.80854820
  O     16.26753776     10.35555653     -8.19968834
  H     15.57952175     14.01871793    -11.16755651
  H     10.33277763      9.56621777    -16.10537952
  O     10.49014908      8.65145808    -15.83906612
  H     13.10794087     12.14032783    -12.23350693
  H     10.54816082      8.66197334    -14.87433377
          69
 Energy    -248.14966054292762     
  O     16.00616033     11.80346854    -10.57481977
  H     16.38150880     12.46844219    -10.00307265
  H     16.47082434      8.67036928    -16.04045043
  O     14.90656898      7.92558591    -15.38459450
  H     16.15502372     10.94447053    -10.13630384
  H     18.91200945      8.08779074    -10.90232710
  O     14.51441036      5.36667093    -11.54118153
  H     14.88932771      6.99999028    -15.10350785
  H     19.33576585      7.53835670     -9.52630331
  O     17.19809019      5.24741192    -10.94834026
  H     14.03572118      8.29558390    -15.18939433
  H     15.75244617      8.44059072    -13.82830309
  O     16.47490762     11.76211472    -15.25546194
  H     13.80731983      4.74884940    -11.33311051
  H     16.71916151      9.31317995    -12.96301092
  O     10.88212533      6.77565822    -12.04944229
  H     15.37003953      5.09412791    -11.17774410
  H     14.31875037     11.85178742    -11.28273261
  O     12.45837082      8.96805858    -14.57963545
  H     17.46467632      5.34614745    -11.87292120
  H     13.02101019     12.68350532    -11.35844755
  O     14.51349108      8.00098855    -10.91140442
  H     17.58837265      6.01277758    -10.51061115
  H     13.32635629      4.72154301    -14.55543159
  O     19.41578019      7.83566233    -14.99317343
  H     15.53687894     11.62952605    -15.02761689
  H     12.24036273      4.30062946    -13.54180833
  O     10.81175359      6.72106023    -14.92718923
  H     16.51442959     12.53034258    -15.81873815
  H     13.73549931     11.61787902    -13.55509111
  O     17.64121502      6.15632427    -13.58856745
  H     10.71946596      6.79371479    -13.00091434
  H     13.35961260     10.62626835    -14.67270358
  O     17.30781894      9.14935053    -16.11959483
  H     11.23981259      7.64482648    -11.83217203
  H     14.78449381      5.41769357    -13.33128223
  O     18.57552910      7.67830677    -10.08623984
  H     11.84455024      8.26513650    -14.82639153
  H     16.01996742      5.44547019    -14.23479192
  O     16.19456666      8.50487865    -12.97139240
  H     12.40292715      9.04517686    -13.61595697
  H     11.28433340      3.74401501    -11.14449126
  O     13.44104137     11.89399493    -11.69318563
  H     14.41305774      7.04340378    -10.99521973
  H     11.54740298      5.17093507    -11.67622123
  O     12.37869078      4.55510577    -14.46239664
  H     15.12938039      8.24892987    -11.62060395
  H     19.55953408      8.55001301    -13.21293783
  O     13.91440235     11.39134261    -14.47548621
  H     20.10526189      7.74319777    -15.64487701
  H     18.95821788      9.75741733    -12.47427386
  O     15.05673750      5.37825470    -14.26149216
  H     18.68851132      8.31919398    -15.42439169
  H     12.49905489     10.19338396    -11.69310905
  O     11.92558860      4.27540398    -11.60829201
  H     11.37518526      5.93071395    -14.84425537
  H     13.04899975      8.78281486    -11.42864458
  O     19.47622832      8.95230145    -12.34021785
  H     10.10479355      6.49229140    -15.52441278
  H     15.65391781      8.86760385     -9.79152555
  O     12.28875597      9.26009855    -11.79980438
  H     17.17476276      6.93515848    -13.24689064
  H     17.18090362      8.84455295     -9.60693546
  O     16.40009600      9.39553558     -9.47210463
  H     18.35576033      6.51512892    -14.12561432
  H     17.05550266     11.35083023    -12.09267644
  O     17.57591969     10.96787055    -12.80891561
  H     17.09706392     10.06824846    -15.91933339
  H     17.26251745     11.34794035    -13.64038059
          69
 Energy    -248.14955877470754     
  O     10.62253666     11.04742696    -12.17708187
  H     11.58539348     11.03544589    -12.31055112
  H     16.91705282      5.84010198    -15.85007588
  O     14.23948781      7.47347407    -15.33362965
  H     10.38839335     11.94367043    -11.95088014
  H     16.16951028     11.67915368    -15.61604180
  O     17.60470442     10.08321523    -10.48007162
  H     14.92338741      7.84726267    -14.74707636
  H     17.61119825     11.24451067    -15.29572953
  O     18.85132283      9.98727875    -15.99453580
  H     14.69568058      7.08304480    -16.08624582
  H     16.99294563      8.28256747    -13.87002364
  O     12.92063080      9.86704987    -15.38124939
  H     17.07717035     10.50381539    -11.18114570
  H     16.06111719      9.34308202    -13.24746624
  O     13.14926298      6.20838543    -13.19564721
  H     17.95484728     10.78797737     -9.94141693
  H     10.50951565      9.38223928    -11.20116605
  O     16.06573334     11.08782394    -12.48080350
  H     19.75225361     10.18193969    -16.23833481
  H     11.63947367      8.39942671    -10.84881461
  O     16.65560581      9.13761917    -17.56970956
  H     18.88384087      9.22589659    -15.38813875
  H     17.37458954      5.01846758    -10.38561918
  O     15.48983145      4.78582284    -12.95814801
  H     13.34332084      8.99660500    -15.43300711
  H     16.55998946      5.44885994    -11.62288466
  O     18.78251396      7.86552624    -14.33006412
  H     11.98185874      9.71637033    -15.20010267
  H      9.61550789      6.26270786    -12.97819198
  O     15.95234659      6.54607204    -17.33347865
  H     13.45204819      6.63271679    -14.01473807
  H     10.42073367      7.35334246    -12.23229019
  O     17.39717889      5.59810378    -15.04757465
  H     12.18845479      6.29219236    -13.17015554
  H     18.39136226      7.10985937    -11.35809366
  O     16.88504288     11.79658479    -14.97927972
  H     16.38219375     11.43679427    -13.32886027
  H     18.59172983      8.63009231    -11.21374606
  O     16.06913313      8.48379021    -13.68140640
  H     15.10077442     11.11310780    -12.49022303
  H     16.34990354      8.76528084     -9.94266676
  O     10.67589892      8.47430489    -10.92065539
  H     15.99469517      9.81841537    -17.39581089
  H     16.17642631      7.24691729    -10.11774354
  O     17.10422688      5.78076288    -10.89323243
  H     17.45449249      9.42005883    -17.10655909
  H     14.07978848     10.78134231    -16.34722778
  O     10.39699924      6.80593319    -13.03835530
  H     14.64529577      5.26406803    -12.99641863
  H     14.38693115     11.81974537    -17.44812246
  O     18.97261201      7.83742216    -11.61220506
  H     15.28226375      3.86458912    -13.10043338
  H     13.44913867      7.56066965    -11.90522789
  O     15.72064503      8.04373794     -9.82043446
  H     18.43389870      7.00108035    -14.59249744
  H     14.20768160      8.21573070    -10.70698562
  O     14.79799361     11.19938988    -16.85106020
  H     18.98634363      7.84146139    -13.38314562
  H     13.38093299      9.82317796    -12.19401630
  O     13.42833860      8.29174884    -11.27636644
  H     16.23985745      7.46906995    -17.46238923
  H     13.24004801     10.41314735    -13.63411504
  O     13.30866405     10.64942495    -12.69873000
  H     15.89419500      6.15359641    -18.19995311
  H     10.34977643      8.44571732    -14.10127489
  O     10.38905750      9.33191961    -14.48000840
  H     16.73177787      5.36727120    -14.39028311
  H     10.29680577      9.94062345    -13.73613152
          69
 Energy    -248.14951777248649     
  O     12.39462473     10.23214489    -11.43267702
  H     12.54478330      9.74847139    -12.25371584
  H     10.16226448     12.53925243     -9.55313481
  O     11.25628625     12.56836217    -12.44207339
  H     11.99330643     11.07124700    -11.69147017
  H     11.20743079      7.45633994     -6.90362447
  O     14.39578748     10.40095978     -9.58746467
  H     11.06885141     12.89288952    -11.55059503
  H     11.39804842      8.94163477     -7.29036477
  O     13.69294192      6.19357388    -11.01271673
  H     12.14619791     12.86502516    -12.68443418
  H     11.74058371     11.22548148     -7.25564423
  O     14.10247313     15.80746730    -12.01374666
  H     13.70911929     10.33569742    -10.26961067
  H     10.27711076     10.85050324     -7.56265673
  O     13.88659839     13.19629339    -12.98138438
  H     14.47273749      9.51563925     -9.20590754
  H     14.04625330      7.22812210     -9.46678969
  O     15.96114665     14.48252128    -10.25533409
  H     12.82696315      6.42785719    -11.38958450
  H     13.29557408      7.83771109     -8.26641437
  O     10.44823553      8.82073432    -10.08001691
  H     13.76628059      5.24380757    -11.06533086
  H     15.41511015     11.38586686    -10.68249070
  O     12.43676779     15.52247788     -9.88311890
  H     14.06920448     16.69651604    -12.35569794
  H     16.19693759     11.29807096    -12.01681768
  O     14.82080040      7.93397604    -12.95482410
  H     13.45041086     15.75777869    -11.29158724
  H     13.04569289      9.70314372    -14.35618793
  O     14.44112282     14.65608115     -8.02194351
  H     13.97688196     14.13896110    -12.79383917
  H     11.53037490      9.51945943    -14.12312161
  O     10.89449706     13.13135407     -9.76249857
  H     14.51498996     12.73992753    -12.40309711
  H     10.42891927     11.39408553    -13.55995318
  O     11.53157112      8.02634368     -7.59601632
  H     15.48483698     15.00504674    -10.91181502
  H      9.52921289     11.02014404    -14.75016003
  O     11.02850605     10.62066219     -7.00395971
  H     16.05744629     13.59778471    -10.63392420
  H      8.14418248     10.94753763     -9.15718548
  O     14.15074358      7.82396166     -8.71439618
  H     11.16646519      9.31451825    -10.50626410
  H      9.46940508     10.24273443     -9.52007105
  O     15.81279093     11.91946953    -11.38614745
  H     10.80844847      8.44053375     -9.26741895
  H     15.12138629     10.67709296    -14.35856964
  O     12.38677663      9.08096094    -14.00495508
  H     13.04094804     15.33227601     -9.15385724
  H     14.08330846     11.80711598    -14.26761490
  O     10.12945559     10.65034054    -14.10743210
  H     11.76191561     14.83330355     -9.85408295
  H     17.39420076      9.65367790    -13.62176795
  O      9.09251573     11.04433404     -9.12091460
  H     14.57098987      7.32320049    -12.25171947
  H     16.00694026      9.20585175    -13.10439171
  O     14.25630406     10.95341449    -14.68483685
  H     14.00658514      8.13946938    -13.42870799
  H     11.55866204      7.63207593    -12.89315956
  O     16.56776994      9.98310249    -13.27890898
  H     14.90863284     15.10722453     -7.32449592
  H     10.85530758      7.57645516    -11.51582785
  O     11.36299121      7.05227532    -12.14844590
  H     15.05733083     14.58064360     -8.77298799
  H     13.54914861     11.61842926     -8.58281980
  O     12.98480636     12.26841366     -8.13928784
  H     11.64373501     12.82756866     -9.22770764
  H     13.51645509     13.05811224     -7.98304424
          69
 Energy    -248.14924469951023     
  O     17.08414802      5.11280823    -14.08226073
  H     16.98431258      5.25339017    -15.03679026
  H     17.13646789      8.59473037    -16.52583451
  O     14.21952778     11.62670531    -10.98013241
  H     18.01823548      5.16819600    -13.84701951
  H     13.67984336     10.64604838    -14.09793096
  O     16.25004417     11.60513112    -13.00474042
  H     13.63064135     11.08534255    -11.53142351
  H     14.67968902     10.30620466    -15.23323750
  O     11.29416896      8.13504549    -14.09860894
  H     13.68410289     12.32973172    -10.62012662
  H     17.10094318      8.31642133    -13.07442677
  O     18.32873204      6.47227545    -10.75072294
  H     15.64026658     11.57148162    -13.75086374
  H     16.68740699      6.85997644    -13.52966566
  O     13.22121367      6.07537334    -13.54942959
  H     15.68378647     11.71853888    -12.23189188
  H     15.47208585      4.68282899    -11.38071708
  O     12.88543088      9.83331936    -12.63353099
  H     11.76599905      7.31597745    -13.89981571
  H     15.20834475      6.07495147    -10.80431332
  O     12.32097835     10.89716049    -16.94710138
  H     11.28852990      8.20119532    -15.06021828
  H     19.70399416      6.55703705    -13.68500507
  O     16.55662045      5.72257406    -16.68339408
  H     17.49072926      5.98843047    -10.71423092
  H     20.52436915      5.31856900    -13.24837046
  O     15.57895567      8.85487577    -15.69770832
  H     18.80760584      6.15712323    -11.52388404
  H     15.71033589      4.25297814    -13.43545364
  O     13.89086347      6.74233202    -16.22675151
  H     13.64875686      5.22043465    -13.41138133
  H     14.91894395      2.93637656    -13.24458782
  O     17.97048901      8.24819078    -16.88536573
  H     13.51142498      6.62694946    -12.81028355
  H     17.59569155     10.43124058    -12.83674065
  O     14.13236366     11.01905932    -14.86767963
  H     13.39959977      9.12549035    -12.22175570
  H     18.31080165      9.58002547    -11.74372407
  O     16.36559951      7.75099874    -13.34685553
  H     12.18415749      9.38105462    -13.12481871
  H     19.23983791      8.76113942    -13.92356598
  O     15.79037648      5.31100600    -10.72245885
  H     12.94458693     11.04688070    -16.21853380
  H     19.11181881      8.14214633    -15.34019625
  O     19.65467617      5.70682703    -13.21086210
  H     12.14920424     11.75462857    -17.32726388
  H     18.82643530      9.19296390     -9.26529315
  O     14.90339069      3.86918188    -13.04760265
  H     15.62934575      5.99438052    -16.67236637
  H     18.26574198      8.09308065    -10.19886917
  O     18.22034759      9.70325848    -12.69723186
  H     17.07481683      6.50870962    -16.89399745
  H     10.91552594      8.11218728    -17.58488242
  O     19.59108067      8.07315796    -14.50646884
  H     14.94681978      8.19195506    -16.00755311
  H     11.85430849      9.20231977    -17.01709886
  O     18.20405485      9.03994095     -9.97113609
  H     15.87237554      8.53664595    -14.82913819
  H     15.09734978     10.22806390     -9.96861048
  O     11.62627253      8.25809768    -16.96559703
  H     13.67901160      6.48957556    -15.31672073
  H     16.34322577      9.33299371     -9.71443851
  O     15.37961562      9.35981291     -9.65668312
  H     13.10142387      7.16608764    -16.58717400
  H     15.09689003      7.73197852    -12.17553730
  O     14.36377994      7.70634393    -11.53723444
  H     18.17966226      8.77690528    -17.65178624
  H     14.64597876      8.22291615    -10.76611290
          69
 Energy    -248.14921145081800     
  O     -2.59563379     -1.22918732      7.24958715
  H     -2.45255466     -1.34216895      8.18588102
  H      2.68009089     -2.31605660      2.25104234
  O     -0.17935291     -0.17499312      3.77715482
  H     -1.76591538     -1.48866829      6.81138942
  H     -1.04956517     -1.32280485      1.26910754
  O     -2.81982253      0.48518738      3.27591219
  H     -0.25998739     -0.90864577      3.14624924
  H     -1.29396016     -2.69496844      1.96504850
  O      1.83708160     -3.35836065      5.19941499
  H      0.60953027      0.31067517      3.50949173
  H     -2.26708390     -4.15517107      3.13513837
  O     -4.01351125     -3.04626607      5.52438715
  H     -1.88627439      0.33657981      3.48902224
  H     -3.30683721     -3.22929464      2.45209853
  O     -0.38700400     -1.96832159      5.84558441
  H     -3.23732127      0.76150112      4.10353193
  H      1.74136422     -2.55035702     -0.12659644
  O      0.69869088     -5.77911668      4.05144430
  H      2.28091683     -2.85090897      4.50258926
  H      0.92362597     -2.61428629      1.17089369
  O     -1.92883724      0.19414518      0.63150037
  H      1.59189020     -4.20333235      4.80814934
  H     -4.36504457     -2.24670449      3.95303574
  O      0.68258762     -5.44255170      1.36060856
  H     -3.66947074     -2.44033569      6.19136379
  H     -3.82629670     -1.04210008      3.12477715
  O     -1.36544038     -2.69870674     -1.55497959
  H     -3.29389877     -3.66751961      5.35164800
  H      0.22479896     -1.97574886     -1.64885034
  O     -1.81949545     -5.07760496     -0.03683662
  H     -0.32165807     -1.25273090      5.19763090
  H      1.43038329     -1.60969579     -2.54486699
  O      2.91800528     -1.89783993      3.08899675
  H      0.44792224     -2.45818046      5.77984515
  H      1.69032054      0.78723001      1.64940952
  O     -0.63280321     -2.01253285      1.80357455
  H      1.07764164     -6.63139803      4.24930525
  H      2.65731270      1.61164472      2.52994346
  O     -2.63845806     -3.90408986      2.27662093
  H      0.71225458     -5.68662875      3.08244678
  H     -0.14836151      0.64976266      0.25451192
  O      1.73710993     -2.94234986      0.75318546
  H     -2.36643272      0.43322300      1.46010201
  H      0.99197125     -0.05445632     -0.50398214
  O     -4.34749250     -1.85401531      3.06777077
  H     -2.59512849     -0.15191103      0.02599608
  H     -4.41060001     -1.45207969     -0.52884418
  O      1.11425353     -1.57856397     -1.64602767
  H     -0.11681371     -5.42800568      0.82365563
  H     -4.16825952     -0.67782448     -1.84380305
  O      2.10123044      0.83748542      2.53109041
  H      1.18529200     -4.65703620      1.10217099
  H     -4.64190602      1.08627233      6.25194341
  O      0.81116135      0.64165820      0.13912859
  H     -1.48806816     -3.53187895     -1.08336303
  H     -3.39474219      0.19655203      6.36121731
  O     -3.71938507     -1.10609708     -1.11862863
  H     -2.18706503     -2.20467891     -1.45457545
  H     -1.17723145     -3.49472199      5.11242800
  O     -3.81794851      0.87764787      5.81774699
  H     -2.19702190     -4.71025286      0.78132227
  H     -0.83266228     -4.91614729      4.60933984
  O     -1.56870373     -4.31205996      4.77359317
  H     -2.38896109     -5.79531472     -0.30333671
  H     -6.45631662     -2.39887964      0.72224229
  O     -5.59477893     -1.99855226      0.64050935
  H      2.74929921     -0.95817930      2.95942597
  H     -5.24514998     -1.92727613      1.54406057
          69
 Ord_Energy   -248.149109    
 O   -14.4105797      -8.04874420       5.56170416    
 H   -14.1404533      -7.64278078       4.71806574    
 H   -15.0607176      -8.71360397       5.35051727    
 O   -13.4786177      -5.56461239       9.55962181    
 H   -14.1634388      -5.45839405       10.2142906    
 H   -13.9277239      -5.55490971       8.69783211    
 O   -7.86757660      -2.58011508       2.09861326    
 H   -7.24038792      -2.52516937       2.83017802    
 H   -8.38314819      -3.38466787       2.25359344    
 O   -8.05647373      -4.53871202       5.28096867    
 H   -7.38973761      -3.86500430       5.09632349    
 H   -8.64177227      -4.55675554       4.51286936    
 O   -10.1840401      -1.23303425       7.32176399    
 H   -9.74616337      -2.07264686       7.55996180    
 H   -10.3062048     -0.743221819       8.13008499    
 O   -10.8520613      -6.75644636       4.05059958    
 H   -11.1590910      -6.27353716       4.83448982    
 H   -10.3904476      -7.53936005       4.37272978    
 O   -8.50618076     -0.616730452       5.10835075    
 H   -9.10865498     -0.752174199       5.84989834    
 H   -9.04488754     -0.536774814       4.31255293    
 O   -11.9214087      -8.87852764       6.83692598    
 H   -12.7647953      -8.62366390       6.44731140    
 H   -11.7334890      -8.24255466       7.54288816    
 O   -13.9549646      -4.09828568       2.55425215    
 H   -14.3909998      -3.80522108       1.75759053    
 H   -13.1465816      -3.56587577       2.63875365    
 O   -8.01728916      -6.95230007       6.72894764    
 H   -7.96007681      -6.18869066       6.13833189    
 H   -8.51981926      -7.63234234       6.26613045    
 O   -9.64733601      -8.89333534       5.38911676    
 H   -9.38330555      -9.78136635       5.16547585    
 H   -10.4604988      -8.96525288       5.92251205    
 O   -9.76051712     -0.674585044       2.50679016    
 H   -9.05686855      -1.30833662       2.27543473    
 H   -9.69398499       4.87264283E-02   1.88914919    
 O   -9.01593208      -3.59806824       7.74763536    
 H   -8.72002029      -3.92482686       6.88648605    
 H   -8.90401077      -4.32961702       8.36311817    
 O   -6.47067690      -2.33058333       4.59027481    
 H   -5.63160992      -1.96501756       4.85563374    
 H   -7.15353107      -1.67854393       4.83331776    
 O   -14.5029497      -5.64840651       6.99423885    
 H   -14.7336426      -4.91968584       6.39805698    
 H   -14.6204891      -6.48459864       6.52558088    
 O   -11.6837673      -2.62992764       3.07373118    
 H   -11.1314163      -1.88195181       2.81599212    
 H   -11.7854881      -2.59207463       4.03818989    
 O   -11.2357845      -6.85042286       8.62640381    
 H   -11.9467506      -6.39725590       9.10367775    
 H   -10.3860083      -6.57699633       8.99041748    
 O   -13.5350904      -6.82908964       3.31564808    
 H   -13.7253551      -5.93332767       3.01489043    
 H   -12.5748272      -6.87614202       3.42568326    
 O   -8.61975193      -6.03572083       9.18906784    
 H   -8.34867859      -6.42348099       8.33508682    
 H   -7.94777822      -6.26907730       9.82306099    
 O   -14.6807661      -3.52595091       5.28262615    
 H   -14.5882826      -3.72524834       4.34367657    
 H   -13.8643026      -3.07115269       5.53004837    
 O   -11.7695217      -5.40962029       6.29495525    
 H   -12.7256145      -5.48050070       6.41911554    
 H   -11.3836737      -5.83177805       7.07301617    
 O   -12.0063639      -2.69708872       5.78270245    
 H   -11.7941952      -3.61189389       6.02159595    
 H   -11.4689054      -2.12299585       6.33969069    
 O   -9.64496899      -4.56612253       2.96124578    
 H   -10.3732443      -3.93105245       2.97106600    
 H   -10.0282373      -5.42418385       3.19082665    
          69
 Energy    -248.14906230282338     
  O     12.52653941     11.81956841    -15.03178881
  H     12.66587357     11.04385548    -15.59061962
  H     18.08808193      8.39264903    -13.44467293
  O     14.77693296      6.36541313    -12.98980421
  H     12.04622328     11.50876666    -14.25463775
  H     17.38880118     11.28809109    -15.91662756
  O     17.90735073      9.95651371    -12.40277383
  H     15.63172009      6.07912984    -12.64573371
  H     16.06649014     12.10655371    -15.88690130
  O     18.81591654     10.69562581    -14.93710582
  H     14.23821987      6.67524272    -12.24950380
  H     15.63447825      8.61337681    -14.91898442
  O     11.91904159      7.10287279    -15.86867073
  H     17.06953579     10.43019832    -12.51145198
  H     14.84420612      8.04858624    -13.73049809
  O     15.14664604      9.74385936     -8.92941877
  H     17.98159108      9.76622858    -11.46083741
  H     11.18552233      9.77317365    -12.96281221
  O     13.18496222      7.57567190    -11.10115895
  H     19.27744704      9.89871298    -15.19708591
  H     10.30761645     10.95832099    -12.49678382
  O     15.45830554     11.12920663    -12.85178596
  H     18.61134454     10.56758328    -13.99920076
  H     17.34665506      7.57318815     -9.67910326
  O     16.57792628      7.70133734    -16.20198815
  H     12.31219055      7.95136570    -16.13452773
  H     17.16195659      6.28982637    -10.52208937
  O     14.44853714      6.96200549     -8.68157649
  H     11.19984514      6.93292086    -16.47257453
  H     11.88444342      7.69179616    -12.51367412
  O     14.54258540      5.88305139    -15.73425715
  H     14.51877818     10.08520945     -9.57962214
  H     11.54178655      7.61178922    -14.03154548
  O     18.24139491      7.56438077    -13.91962043
  H     14.83540527      8.85916183     -8.70193598
  H     17.76916710      6.29316092    -12.84904516
  O     16.59291662     11.50340702    -16.42279727
  H     13.48835024      7.27652369    -10.23488101
  H     17.79185910      4.79277864    -12.46949165
  O     14.98776058      8.85514334    -14.24153369
  H     13.31404417      8.53502768    -11.11533091
  H     18.31360083      9.81127440     -8.95930793
  O     11.19448189     10.72651221    -12.76041212
  H     15.26718718     10.34092588    -13.38837008
  H     16.83807011      9.62591238     -9.38184283
  O     16.94786324      6.69414968     -9.67233853
  H     15.33071516     11.89635915    -13.42174057
  H     15.93376686     10.35729257    -17.48146659
  O     11.32648497      8.06382756    -13.20832719
  H     16.33163381      8.27275107    -16.93854361
  H     15.72209405      9.83227280    -18.92433128
  O     17.39573312      5.62964324    -12.24138983
  H     15.91389774      6.99398080    -16.15109677
  H     14.19222749     10.70505800    -11.66309165
  O     17.75821442      9.43081103     -9.63522213
  H     14.32396058      6.40768633     -7.91651064
  H     12.65310839     10.60549969    -11.56224849
  O     15.53705290      9.63805194    -18.01012603
  H     15.34770314      6.78648154     -9.01537179
  H     14.00907434     12.70232728    -14.88422169
  O     13.47111190     10.37625208    -11.10585357
  H     14.61738714      5.88169001    -14.76890582
  H     14.78568503     14.03856796    -14.77114696
  O     14.89404871     13.09175129    -14.76072139
  H     13.63746765      6.16781955    -15.90310001
  H     13.93541533      9.51537537    -17.04089841
  O     13.28268587      9.43778127    -16.33370944
  H     17.76488596      7.61394010    -14.75904808
  H     13.79037230      9.26366234    -15.52471644
          69
 Energy    -248.14886157122572     
  O     11.24207968     11.25609399    -15.29632780
  H     11.25587475     12.15154932    -14.92604091
  H     12.56766605     13.62241610    -11.66582712
  O     14.12113465      9.62329718     -9.92901918
  H     11.58261577     11.33121715    -16.19695794
  H     12.35246973     14.29089822    -15.68237873
  O     18.72119508     12.99971547    -12.55002323
  H     13.29254866      9.56371873    -10.42313418
  H     12.85307306     13.54020282    -16.91963787
  O     11.93375362     12.36399460    -10.57422612
  H     14.18713865     10.53182330     -9.61673138
  H     15.42741589     12.02424778    -12.56865323
  O     11.90825168      9.79029113    -11.68721911
  H     18.57207175     12.76482413    -13.48483852
  H     14.16805772     12.90804070    -12.85040431
  O     13.40246818     10.01306742    -13.99800255
  H     19.65295407     13.17446991    -12.45223481
  H     17.32639589     13.02494605    -15.31494309
  O     15.05700744     15.25466106    -10.59171329
  H     11.90031028     11.47479031    -10.95501818
  H     17.85534685     11.57419100    -15.40752267
  O      9.61543393     10.13767679    -13.34552866
  H     12.78246755     12.42433516    -10.11456935
  H     12.43157848     11.64859970    -18.65172419
  O     15.58922636     13.80880899    -15.29057823
  H     11.02489449      9.74891154    -12.07056653
  H     13.49200302     11.57534265    -17.52743700
  O     15.16395584     11.54291210    -17.07513427
  H     12.50914863      9.79429589    -12.44801394
  H     15.56191750      9.02326868    -10.71675385
  O     11.19974922     13.83878981    -14.22787366
  H     13.92273762     10.79804232    -13.76124388
  H     16.82535801      8.13270064    -10.68107098
  O     13.06104386     14.21726134    -12.25244909
  H     12.67890828     10.33338758    -14.54915204
  H     16.06689624      8.67361838    -13.05013597
  O     13.06865668     14.27171750    -16.33010849
  H     15.18566618     16.11215123    -10.19465425
  H     14.93975371      9.02073486    -14.04815457
  O     14.75074188     12.23327331    -13.22488469
  H     15.67482956     15.19896138    -11.34263003
  H     17.70921717      9.25073917    -16.45635004
  O     18.07867588     12.46052796    -15.09567531
  H      8.89700281      9.61925106    -13.69936427
  H     16.75874857      9.45645627    -15.25346464
  O     12.54929684     11.74155924    -17.71027995
  H     10.12661941     10.46116926    -14.10644640
  H     17.46187775     12.01022442    -11.64586770
  O     16.39345871      8.81965197    -11.18203866
  H     15.32377725     13.19179134    -14.58840632
  H     16.75736268     10.64739594    -11.29733389
  O     15.85526298      8.71239875    -13.98943362
  H     14.76814520     14.14914589    -15.67560151
  H     10.19412057     12.74808621    -11.51017002
  O     17.21622946      9.91423590    -15.98112253
  H     15.82320638     10.90253798    -16.78410286
  H      9.42163320     11.89078924    -12.52542785
  O     16.65697555     11.60778048    -11.29598483
  H     15.34903407     12.35032345    -16.58215662
  H     17.42110662     14.41147144    -12.67499792
  O      9.56040396     12.80080862    -12.23539881
  H     10.46383084     13.61345290    -13.64112173
  H     16.30870460     14.82199959    -13.65932851
  O     16.66428435     15.00077854    -12.78214278
  H     11.91367455     14.10092241    -13.62811867
  H     14.71424799     13.49769901     -9.75118059
  O     14.60692675     12.54360570     -9.65607167
  H     13.65683468     14.73221023    -11.69640465
  H     15.35721857     12.17804433    -10.14834731
          69
 Energy    -248.14885988085916     
  O     12.01243453     10.20886100    -10.48968202
  H     11.98903263      9.32277157    -10.86897597
  H     14.67148181     11.66969000     -9.48606031
  O     15.16499185     10.30909928    -12.68271735
  H     11.58662949     10.77833125    -11.14207196
  H     10.56862209     11.82853499    -15.85686429
  O     17.39200424     12.56401566    -14.51486849
  H     14.51993647     11.01684898    -12.55850365
  H     11.01192569     10.36358674    -15.67361682
  O     16.76578888      6.72985132    -13.36425310
  H     16.00959897     10.68170862    -12.40567293
  H     15.61098603     13.12584551    -14.88041723
  O     11.16333865     11.63607996    -12.79390497
  H     17.55612153     11.61903309    -14.68859871
  H     14.32778671     12.69423529    -15.65732844
  O     12.43157659     14.87981168    -15.52131221
  H     18.09418714     13.04209784    -14.94985103
  H     14.61395222     13.15898017    -11.13136097
  O     13.64681912     11.50978502    -16.70173824
  H     17.58107011      7.17752929    -13.10136943
  H     15.05861175     14.15086324    -10.02775685
  O     15.96817018      8.65144948     -9.08399289
  H     16.09602467      6.98648738    -12.71816467
  H     18.38561665      9.44160477    -14.14906797
  O     13.68231986     12.68356184    -12.51203084
  H     11.34297530     10.83472252    -13.30892792
  H     17.44916692      9.25584569    -15.34876732
  O     14.36789699      9.31320386    -15.14546328
  H     10.73086901     12.26126667    -13.38820704
  H     17.38826116     12.30047107    -12.63537672
  O     19.05186423      8.30683126    -12.78817274
  H     12.55850285     15.29413678    -16.37247592
  H     16.68337051     12.49048058    -11.25239370
  O     14.37937216     10.80651025     -9.17781587
  H     13.26957536     14.43316447    -15.32446212
  H     11.77484719      8.66816483    -13.46421256
  O     10.90334041     11.05989203    -16.33352191
  H     12.68430840     11.41906206    -16.72405277
  H     12.63746581      9.26286574    -14.59542713
  O     14.67695181     13.32556307    -15.00380902
  H     13.97075543     10.69956468    -16.28517005
  H     16.55493233      7.23407943    -15.00967990
  O     15.23948210     13.29017433    -10.39593244
  H     16.00523282      8.32615234     -8.18902327
  H     16.64378135      6.99378575    -16.53850284
  O     17.93002319      9.92553442    -14.84969822
  H     15.39656441      9.44234694     -9.07259211
  H     13.12276150      7.62912091    -11.76693971
  O     17.29820552     11.93244815    -11.74757554
  H     12.76606444     12.38640236    -12.58446667
  H     11.80595353      6.83262461    -11.62578368
  O     11.75824184      9.30238093    -14.19101173
  H     13.99122554     12.94257521    -13.39137867
  H     17.48910851      9.26838281    -10.02461144
  O     16.46812193      7.66120331    -15.88172620
  H     15.00558300      8.68081647    -15.49659527
  H     17.97103058     10.46751772    -10.88632675
  O     12.15970473      7.67881473    -11.88816293
  H     14.75247869      9.68111230    -14.33693157
  H      9.45924005     13.95371992    -14.83156222
  O     18.21019590      9.58001573    -10.58392765
  H     19.95751230      8.03063356    -12.67778450
  H     10.99404086     13.95644167    -15.01570662
  O     10.23574880     13.40446190    -14.76039052
  H     18.78772043      8.74044165    -11.95656561
  H     14.95803604      8.70122362    -11.95158152
  O     14.88267307      7.82898041    -11.53287708
  H     13.52078933     10.63342636     -9.59337575
  H     15.24247409      7.93717177    -10.64353118
          69
 Energy    -248.14881615828477     
  O     20.19454762     10.67137212    -12.23832444
  H     20.75914475     11.22545716    -12.78949767
  H     14.74023100      9.49865933    -13.73598498
  O     19.83497368     14.32913752    -12.48410764
  H     19.53670061     11.25980420    -11.84622509
  H     17.67785798     12.09690826    -12.42376504
  O     16.83031875     12.05883925    -17.93854697
  H     20.56394472     13.78051064    -12.79757223
  H     17.27799139     12.83948846    -11.14713193
  O     19.99256258     13.12235131    -15.95989669
  H     19.23562724     13.73092503    -12.02288364
  H     12.17453343     12.82403744    -17.14117906
  O     16.80146716      9.60215602    -11.26962076
  H     17.60487934     12.44605334    -18.36380600
  H     13.43244136     12.04019927    -16.69893772
  O     17.67384466      8.36163281    -14.95227682
  H     16.33894641     12.80532068    -17.56368029
  H     19.51598584      9.08953370    -12.41052313
  O     21.63675685     12.52533292    -13.83580131
  H     19.44756681     13.80595436    -15.54124221
  H     19.55905714      7.58081457    -12.06934740
  O     19.17070499     13.55939877    -18.63735264
  H     19.88306670     13.22838340    -16.91262924
  H     15.60689561     14.36783861    -15.93750111
  O     13.21595315     14.05008301    -13.99076899
  H     17.19881348     10.46475527    -11.10727962
  H     14.50353340     13.91184570    -16.90524607
  O     18.35373658     10.85271006    -15.97680658
  H     17.51220944      9.04509488    -11.61240967
  H     14.91425568     13.28989545    -11.27245915
  O     18.50512633     15.16004092    -14.74143621
  H     18.14348422      8.24919350    -14.11730123
  H     15.80166390     14.31480341    -11.98128082
  O     14.77293819     10.12930335    -13.00719973
  H     18.03658714      9.15873592    -15.36322899
  H     16.18557915     13.54678338    -14.03599578
  O     17.98253445     12.29219475    -11.52311269
  H     22.56124048     12.65525473    -14.03240120
  H     14.91910752     14.46215973    -14.02417729
  O     12.94194472     12.87264537    -16.57715838
  H     21.14686326     12.71498638    -14.65297836
  H     12.77660545     11.85961381    -11.21822035
  O     19.01165807      8.25712630    -12.45933707
  H     18.72240076     14.35932582    -18.30466933
  H     13.82805989     11.42132804    -12.26252514
  O     15.41248300     14.23418949    -16.87465336
  H     19.59533927     13.80030559    -19.45605688
  H     14.65987864      7.62228238    -15.47254124
  O     15.72252288     13.80732032    -11.16685039
  H     12.99839579     13.59612188    -14.81480176
  H     15.97619096      8.37763365    -15.16534546
  O     15.88758452     14.47023503    -14.08777567
  H     13.12998898     13.40388471    -13.27816610
  H     17.28826115     11.46514657    -14.64695892
  O     13.41006439     12.19484944    -11.84801884
  H     19.04395472     11.52142259    -15.88868553
  H     16.04663160     11.26433594    -13.71624700
  O     15.01197977      8.48349835    -15.26401484
  H     17.78699219     11.15723256    -16.70024721
  H     18.14532546     15.66013034    -16.55187571
  O     16.75014004     11.87847259    -13.96165388
  H     19.01411060     15.04399726    -13.92541026
  H     16.91637677     15.30511056    -17.40893590
  O     17.83567518     15.59681347    -17.46561094
  H     17.57780435     15.05466754    -14.48932307
  H     14.68413481      9.92195321    -16.45621105
  O     14.48226237     10.68586452    -17.00875106
  H     15.43191336      9.82297380    -12.36227812
  H     15.30209392     10.95489352    -17.43988233
          69
 Energy    -248.14874454860953     
  O     -0.99696642      0.32847605      0.45299113
  H     -1.86723204      0.73695109      0.54510106
  H     -3.65292263     -1.08644289      2.69334307
  O     -1.88016356      4.33860542     -1.38178646
  H     -1.12068725     -0.62619447      0.50825738
  H     -2.57400492      4.19613237      4.40230410
  O     -2.49303609      3.89989735      1.31790353
  H     -2.15185701      4.99900411     -2.01404694
  H     -3.26824073      4.11129495      3.03583370
  O      2.01379553     -0.96371456     -0.92003481
  H     -1.82484034      3.49700860     -1.86687431
  H     -1.51122227      1.22638630      7.23255845
  O     -3.87267424     -2.49941194      1.45816284
  H     -2.37175638      4.14127841      0.39076483
  H     -2.38448846      1.52735364      5.98791667
  O     -4.19665053     -0.69814518     -0.76262471
  H     -1.60832118      3.81277783      1.70137709
  H     -3.55974491      0.91274283      1.78650188
  O     -1.48180670      1.96958655     -2.68778676
  H      1.78112877     -0.04698666     -1.13246518
  H     -3.26970385      2.29038693      1.10027315
  O      0.85895503      1.51188319     -1.25470915
  H      1.31445674     -1.49920280     -1.30883714
  H     -3.89742066      2.46960302      4.75830386
  O     -0.28743299     -2.37656190     -1.97786282
  H     -4.17843847     -3.38278874      1.64667296
  H     -3.93176612      0.93539682      4.51735813
  O     -1.28830658     -2.48982187      0.64731845
  H     -2.94633471     -2.57643392      1.16706938
  H     -0.93614606      3.11319403      5.60659856
  O     -0.79960161     -0.30086008      4.20079696
  H     -4.25173438     -1.38316276     -0.08716637
  H     -0.47587803      4.56152116      5.87714331
  O     -3.42473438     -0.27818693      3.16775758
  H     -4.09718442      0.13171052     -0.27324894
  H     -0.06764737      4.31532883     -0.63585160
  O     -3.43281439      4.05994363      3.98610567
  H     -0.57342163      1.83245818     -2.38179076
  H      0.64004321      4.08868925      0.71493871
  O     -1.46639539      1.49946836      6.32022999
  H     -1.86747579      1.08964053     -2.73453387
  H      1.27306373     -2.00494882      2.46063480
  O     -3.52250827      1.37290571      0.93560514
  H      0.18142199      1.10276590     -0.69338740
  H      0.03750872     -1.83466754      3.37585322
  O     -3.89776002      1.61035575      5.20692189
  H      0.99813536      2.40650549     -0.91208731
  H      1.58126942      0.47100132      2.21374843
  O     -0.76699946      3.97060950      5.18615613
  H     -0.99513270     -1.79245103     -2.29555892
  H      0.16434121      0.80487446      1.69046930
  O      0.78013991      4.07842300     -0.24031748
  H     -0.15551127     -3.03797030     -2.65342939
  H     -0.14545182      3.86858848      3.41284585
  O      0.44674200     -2.42573881      2.73074371
  H     -0.62550070     -2.57740560      1.35093574
  H      0.40253087      2.76749648      2.47737542
  O      0.81056023      1.02629342      2.38039526
  H     -0.86979825     -2.62286096     -0.21053673
  H     -3.08081152     -0.77540287     -2.07209928
  O      0.04553798      3.66800060      2.48918345
  H     -0.21856442      0.22268004      3.62901939
  H     -2.93989097     -0.88557208     -3.60638809
  O     -2.43501442     -0.79280104     -2.80171999
  H     -0.94339978      0.22642108      4.99482289
  H      2.48549174     -0.99843468      0.75024463
  O      2.67926061     -0.96104655      1.70444555
  H     -2.51247299     -0.36731715      3.47811121
  H      3.62052540     -1.07859983      1.79784577
          69
 Energy    -248.14866992137325     
  O      2.48486083     -0.41149369      6.15933667
  H      1.93292393      0.35799949      5.96340960
  H      5.41724697      0.10999399      4.40725832
  O     -1.13889585      1.51532031      7.36199800
  H      3.23242191     -0.38281978      5.54927009
  H      1.61715680      0.40343269      1.09521936
  O      0.43555753     -4.99878243      3.31374881
  H     -1.05877563      0.69435496      7.87987674
  H      1.50421297      1.72495223      0.29934632
  O     -2.75390633     -2.94844692      8.10214476
  H     -1.42947414      2.19144009      7.96859980
  H     -0.69530647      0.05236656      2.96655971
  O      3.85615910     -4.34180489      6.45365312
  H      0.65875433     -5.07310714      4.25306039
  H     -0.06361703      1.32203162      2.38192301
  O      4.13626643     -3.02931060      4.12238082
  H     -0.48227145     -4.71002648      3.28224826
  H     -2.11337771      0.84549669      4.35280872
  O      3.13611259     -2.19838878      8.18110074
  H     -3.67976262     -3.10843744      8.26363295
  H     -2.20933328      0.93775335      5.88803830
  O     -1.00702954     -0.77962092      8.78686191
  H     -2.66947998     -2.69299034      7.16718454
  H      2.51232778      1.77533162      2.66250754
  O      1.05252062     -2.40346207      9.85725699
  H      4.57773352     -4.95728924      6.54925802
  H      2.31424889      1.99931609      4.17830051
  O     -0.29151118     -4.40268271      8.33087285
  H      3.99604695     -3.87219885      5.61060946
  H      1.19302111     -1.58093791      5.62015006
  O      1.68153338     -1.33883949      1.10401174
  H      4.27773020     -2.07879970      4.04287791
  H      0.75563540     -3.07318321      5.52739911
  O      4.53898892     -0.21812228      4.22947848
  H      3.61615306     -3.30443950      3.35730875
  H      2.88147801     -4.62631337      1.38078289
  O      1.45870099      1.36144517      1.17942037
  H      3.43920173     -2.95318595      7.66282538
  H      1.78011977     -4.29868718      2.40801063
  O     -0.66013181      1.01537697      3.07457634
  H      2.93965496     -1.49719415      7.54389662
  H     -2.51082846     -1.21872091      5.37290607
  O     -2.62756860      0.54331184      5.11164450
  H     -0.25383136     -1.23967388      9.17736818
  H     -1.27554682     -2.13096984      5.58775493
  O      2.98761483      1.87710599      3.49739327
  H     -1.67116945     -1.46151473      8.63294525
  H     -2.36028013     -3.28760866      4.16125987
  O      0.50137241     -2.16985340      5.29736470
  H      1.83873297     -2.32406904      9.28723806
  H     -3.11101691     -4.15170499      3.12284450
  O      2.56230298     -3.93564373      1.95655386
  H      1.36805070     -2.44588697     10.75563050
  H      0.61579731     -4.75625175      6.84036929
  O     -2.24502777     -2.13145717      5.55899740
  H     -1.18507290     -4.04347983      8.28349388
  H      2.05428411     -4.74621326      6.22319767
  O     -2.24844089     -3.81705290      3.35395615
  H      0.19453125     -3.79844135      8.90663322
  H      0.30179306      1.42637147      4.58651396
  O      1.11400430     -4.78837921      6.00931562
  H      2.16722037     -2.15551297      1.25618145
  H      0.20855528      1.71692030      6.10195804
  O      0.82855907      1.66224970      5.36378055
  H      0.85369749     -1.47331851      1.58985192
  H     -0.01114802     -1.87874298      3.59875675
  O     -0.48004900     -1.71077017      2.76565850
  H      4.02900442      0.53549680      3.88397277
  H     -1.16424551     -2.38545802      2.71169078
          69
 Energy    -248.14863845790177     
  O     -5.66009181      4.58763318      1.19954525
  H     -5.89286997      3.96582452      0.50288210
  H     -6.78445769      0.51799381      2.75462231
  O     -3.87210798      4.05025213     -2.39586229
  H     -5.50575196      4.04682232      1.98780195
  H     -4.84581566     -0.40048826      3.93543537
  O     -4.96653807      2.76937652      3.19437205
  H     -3.89724196      4.45994131     -3.25718469
  H     -4.02089651     -1.19746380      2.91922081
  O     -4.09009690     -1.45842569      1.15093074
  H     -3.02422531      3.57915960     -2.33463366
  H     -0.64320180      0.38997256      2.31047062
  O     -2.46881670      0.10920301     -2.53788496
  H     -5.49516267      2.06764406      3.59150471
  H     -0.69124713      1.53078641      1.25898989
  O     -5.62092130      2.43471969     -0.84912352
  H     -4.09821775      2.80623114      3.62209471
  H     -2.10417639      3.87715596      0.76074790
  O     -6.32527676     -1.71366630     -0.51717158
  H     -4.83591444     -1.67643659      0.57938188
  H     -2.47541046      2.38154795      0.96467269
  O     -5.26495513     -0.00651831     -2.29842718
  H     -3.27200338     -1.56421942      0.64538541
  H     -0.16443058     -1.96491315     -1.03744652
  O     -1.56081037      2.66087976     -1.86847994
  H     -2.21350845      1.01455979     -2.31136744
  H      1.23293251     -1.33940125     -1.09873409
  O     -1.71489806     -1.23504554     -0.20650862
  H     -1.78191857     -0.23386747     -3.12369653
  H      2.67551287      0.42963118      0.25223467
  O     -0.15104815     -0.81679765     -3.85705280
  H     -5.13517475      3.04140962     -1.42431729
  H      1.14236826      0.39889713      0.43856887
  O     -6.53583275      0.50795196      3.69562536
  H     -4.96911052      2.06696126     -0.23000681
  H     -1.02285464     -0.31425074      4.71591495
  O     -3.98365954     -0.81017569      3.80710216
  H     -5.96512183     -1.16202931     -1.23621475
  H     -2.35247485     -0.24755450      3.93138554
  O     -0.34085187      0.64511234      1.42853818
  H     -6.83002873     -2.41084510     -0.92599817
  H     -6.87753074      1.27450611      0.39909796
  O     -1.72629291      3.00172171      0.94274869
  H     -5.47074171      0.86776563     -1.94556160
  H     -6.97090778     -0.25288388      0.52130078
  O      0.66254856     -1.98239654     -1.53836871
  H     -4.31401806     -0.01311162     -2.47060129
  H     -4.29744521      1.78447930      1.80556094
  O      1.85584819      0.25839465     -0.20528028
  H     -1.52120876      2.81127814     -0.91631665
  H     -3.99772491      0.41970687      1.09918952
  O     -1.43598051      0.08238504      3.95309838
  H     -0.67243008      2.40266722     -2.15798018
  H     -3.99685799      5.12670211      0.64756332
  O     -7.12850388      0.56938690      1.00332660
  H     -2.01782826     -0.76805079     -0.99896259
  H     -3.34584341      5.05087165     -0.73395582
  O     -3.89667956      1.37530641      1.02429432
  H     -1.26819271     -0.58712143      0.35468797
  H     -1.95449388      1.91344708      3.98776804
  O     -3.14072424      5.18660900      0.19686189
  H      0.09079254     -1.29920791     -4.64272414
  H     -1.95245200      3.08421965      2.99327566
  O     -2.29402289      2.80672389      3.84997776
  H      0.18112361     -1.32748577     -3.09698709
  H      1.26678991      1.17796129     -1.78981020
  O      0.82840805      1.55802000     -2.56109028
  H     -7.34378846      0.39264948      4.18915878
  H      0.59589992      0.81114242     -3.12676070
          69
 Energy    -248.14852506513805     
  O     15.79095932      9.47656744    -16.12042685
  H     16.43653510      9.30767593    -15.42096683
  H     16.41069432     10.43258725    -17.43997192
  O     20.41369133     10.06740577    -11.86896980
  H     15.04897772      9.92413394    -15.69440204
  H     16.73891579     10.65397355    -11.00486317
  O     20.77630104     12.78380558    -12.45419101
  H     20.55031156      9.77749251    -12.77938275
  H     16.86792431     12.18145248    -11.13128867
  O     13.87866974     11.91989270    -12.26790885
  H     20.62073881     11.01141379    -11.87642198
  H     19.08429890     16.55547451    -12.96316863
  O     17.91836977      9.19234295    -11.27412777
  H     21.29240097     13.59048131    -12.33144261
  H     20.10912486     17.00251425    -14.01957760
  O     17.67687052      9.45136951    -14.07329920
  H     20.72830238     12.62724799    -13.40771208
  H     19.92853175     12.44714907    -15.75427446
  O     14.57254879     12.75847506    -17.13357495
  H     13.20462606     11.91447778    -11.59336214
  H     21.28794677     13.08568186    -15.34477439
  O     17.90691999     15.42607334    -16.07145408
  H     14.71984452     11.72804254    -11.81498910
  H     14.94632350     14.48910936    -16.66781585
  O     22.07566347     15.25566072    -12.41777707
  H     18.82950623      9.51968701    -11.38410550
  H     14.97540410     15.09816199    -15.27073446
  O     18.33045862     12.72087373    -16.51615189
  H     17.96676568      8.43826546    -10.69249486
  H     19.37857703     16.37884106    -16.04565407
  O     13.69852053     11.01667192    -14.93547016
  H     18.60436663      9.46353196    -14.34408348
  H     20.27550586     17.52540717    -16.56483118
  O     16.71807246     11.07480492    -18.10523459
  H     17.66233447      9.25882361    -13.12747939
  H     17.68309196     15.55728733    -14.21290701
  O     16.22652702     11.47065704    -10.99214728
  H     14.27512428     12.23393610    -16.38159264
  H     16.54217414     15.31595777    -13.21502076
  O     19.99429881     16.85935855    -13.07090727
  H     15.26934661     12.24262000    -17.55474256
  H     21.49061052     15.42729502    -15.57010367
  O     20.73573386     12.29656244    -15.24202446
  H     16.95104596     15.51892580    -16.20540363
  H     22.22218359     14.90283033    -14.32413241
  O     15.18975124     15.29627878    -16.19027670
  H     18.12911696     14.52035449    -16.32524007
  H     20.61593743     10.56057491    -14.93741854
  O     20.22948984     16.83167023    -15.91209035
  H     22.69429667     15.71496314    -11.85681974
  H     20.99118554      9.09762996    -15.26304814
  O     17.45747357     15.62020468    -13.27369941
  H     21.32775592     15.86171889    -12.56913288
  H     17.47697887     12.53918833    -13.36016030
  O     22.03971736     14.70069886    -15.24987656
  H     17.88287389     12.19727880    -17.19095202
  H     17.15741004     11.23905536    -14.13772855
  O     20.43883579      9.63412560    -14.70013625
  H     17.83862846     12.57408823    -15.69126169
  H     14.51699748     13.61392762    -13.03893333
  O     17.06748855     12.19942210    -14.16788037
  H     12.77908943     10.78182135    -15.04787366
  H     15.72499073     13.48979080    -13.95965990
  O     15.10599414     14.13825451    -13.58928339
  H     13.79152084     11.31601311    -14.01896430
  H     17.97023828     14.19798691    -12.22167786
  O     18.13867461     13.32378482    -11.84496568
  H     16.68107919     10.63605845    -18.95066775
  H     19.08207053     13.14413094    -11.95498421
          69
 Energy    -248.14851314429208     
  O     11.94686235     12.80875010    -14.69308890
  H     11.50031727     13.64721484    -14.60876581
  H     14.48414302      6.36031658    -14.89841695
  O     17.39901948      5.88414810    -13.56939507
  H     12.61254656     12.78686338    -13.98735465
  H     17.23581027      9.56416487    -18.50753625
  O     18.34965942      9.78664790    -13.23266830
  H     16.50779556      5.51824328    -13.52643066
  H     15.89348510      9.14832238    -17.84836662
  O     17.36953915     13.36120961    -14.89402283
  H     17.37760709      6.56363590    -14.25867329
  H     14.17990847      9.63306890    -13.74517899
  O     14.63499562      5.10255426    -13.54022644
  H     18.56365975      9.02367382    -12.68365064
  H     15.36571607      9.55303596    -12.74231044
  O     15.50147729     10.61242656     -9.49360212
  H     17.96267168     10.45210482    -12.64075686
  H     13.95097008     11.14961380    -16.28173179
  O     13.67787151      6.81249690    -11.68812085
  H     16.74822265     12.75623696    -15.32131770
  H     12.52394756     11.61808140    -15.93703940
  O     13.92852055     12.54743292    -12.74871249
  H     18.21784187     12.89740171    -14.89435958
  H     18.11161179      6.79835676    -12.28618734
  O     14.19340155      8.70904218    -17.79927295
  H     14.25749705      4.23407713    -13.43289568
  H     19.07508637      6.99990414    -11.08964940
  O     15.83499907      8.48725404    -11.26223524
  H     14.25040070      5.66727087    -12.84475668
  H     11.92616406      8.92049645    -12.86002869
  O     17.13031350      8.14782067    -15.19641972
  H     14.59594350     10.77218140     -9.81670404
  H     10.73191489      8.80147902    -11.88830158
  O     14.49849474      7.16550091    -15.43005233
  H     15.48458000     10.74236749     -8.54973994
  H     16.68587061     13.87669480    -13.41847924
  O     16.81116267      9.42078282    -17.66665344
  H     12.92219330      7.40908131    -11.67739588
  H     16.51607956     14.95738704    -12.32304013
  O     14.98377460     10.08131807    -13.45288890
  H     14.44667113      7.36038523    -11.47111920
  H     20.54521791     11.72616075    -14.61122556
  O     13.01654251     10.91953011    -16.39124965
  H     14.33805321     11.69918103    -12.97846060
  H     19.24897319     10.97415258    -14.28131820
  O     18.43138269      7.44650582    -11.63177431
  H     14.65339882     13.17678559    -12.64901211
  H     16.73615085     11.37180249    -10.75024264
  O     11.68307161      8.87190902    -11.91915838
  H     13.64321508      9.43812051    -17.48494001
  H     17.00692316     12.48798876    -11.78133123
  O     16.27661047     14.06427919    -12.55259628
  H     14.17877839      8.04099874    -17.10062307
  H     16.20240287     10.72918781    -16.46256141
  O     19.61541081     11.69101818    -14.82246945
  H     16.73775181      8.14890319    -11.29204926
  H     15.63046559     10.82175864    -15.01228837
  O     17.32028764     11.62959049    -11.47256313
  H     15.78320981      9.14380721    -10.55520626
  H     13.22637335     11.65299460    -11.26980473
  O     15.73604367     11.30564618    -15.84504502
  H     17.20067801      8.52737567    -16.08103925
  H     12.56540039     10.28618574    -10.97347834
  O     13.05619111     11.01045196    -10.56728814
  H     17.48113777      8.79775556    -14.57264363
  H     12.61920647      9.62972541    -15.15575976
  O     12.62652027      8.94378275    -14.47387835
  H     15.37121937      7.56290707    -15.29722437
  H     13.18034648      8.22050206    -14.80200288
          69
 Energy    -248.14850848043011     
  O     16.54317605      7.63745186    -15.05836186
  H     16.09605726      7.54622981    -15.90943858
  H     18.12088334      8.63884850    -15.22005217
  O     16.51593744     11.76868299     -9.52074876
  H     16.14837981      8.39031120    -14.59446688
  H     13.34349586     14.13914905    -14.19464639
  O     16.39203805     12.28618519    -14.15953568
  H     17.02707650     11.97737745    -10.32424871
  H     13.40069727     12.74519300    -13.52211145
  O     13.05843007      6.85923928    -15.79956103
  H     16.46974218     12.56753170     -9.00325310
  H     15.87576755     10.60305024    -13.76672027
  O     17.00566543      6.85737844     -8.91877660
  H     16.81562286     12.17580378    -15.02080084
  H     15.28331079      9.86851633    -12.53077722
  O     15.81039834      5.99839978    -12.95168052
  H     15.55077501     12.74758009    -14.27063053
  H     13.15456029      7.30450010    -11.50499532
  O     14.65431189     10.16482346    -10.89164865
  H     12.89977182      7.69380532    -15.34256583
  H     12.62941587      6.41560234    -12.64537766
  O     17.75552730     11.49624613    -16.45582601
  H     13.72044831      7.04637683    -16.47644331
  H     17.38476272      9.32544635    -12.59998546
  O     18.18174361      6.55592510    -11.54885619
  H     17.36775176      7.76159365     -8.95314797
  H     18.36049865      8.25329119    -12.05354054
  O     15.42797066     10.18917857    -17.51524770
  H     17.23536448      6.49859994     -8.06633476
  H     12.86768234      4.21704499    -14.02077516
  O     15.19811781      7.53120642    -17.51466735
  H     16.10011242      6.48765840    -13.73516689
  H     13.20451095      5.61896311    -14.58565112
  O     18.74809862      9.36385084    -15.08914544
  H     15.00661413      5.52973533    -13.20707000
  H     17.42032094     12.25266744    -12.63123912
  O     13.79153775     13.29813615    -14.22284238
  H     14.72228838      9.22641469    -10.66462898
  H     18.28788544     11.16101830    -11.97407416
  O     15.62672674      9.73190106    -13.42662114
  H     15.24950749     10.66971847    -10.32429673
  H     18.17664018      9.32205552    -10.28792235
  O     12.47770025      7.25433676    -12.19153917
  H     18.17884032     10.74733720    -15.99874209
  H     17.50663488     10.18742511     -9.21178824
  O     18.26987017      9.20317888    -12.23518863
  H     18.42496654     11.90051470    -17.00158071
  H     12.94300924     10.50081444    -15.50957408
  O     13.30606380      5.03681481    -13.81057912
  H     17.45173364      6.17938171    -12.05911900
  H     13.39221861     11.97324119    -15.55624392
  O     17.90896879     12.03502651    -11.82526464
  H     17.90568954      6.49857064    -10.62648254
  H     15.49695194      7.16202498     -9.98115484
  O     17.96181106      9.34808457     -9.34752373
  H     14.66249362     10.60068311    -17.08643800
  H     15.21661697      6.97861688    -11.48743189
  O     13.28581169     11.18315643    -16.09863576
  H     16.20907939     10.67226577    -17.22731231
  H     12.49533231     10.77999902    -12.97505045
  O     14.89009450      7.41549686    -10.68735385
  H     15.43478650      7.16671530    -18.36269296
  H     13.33292921     11.15794626    -11.75434622
  O     12.76252370     11.53469532    -12.43814047
  H     15.26587625      8.50126440    -17.59319036
  H     13.82440826      9.35692425    -13.95258200
  O     12.88645567      9.17074927    -14.09299549
  H     18.91443900      9.37066004    -14.14094996
  H     12.63045218      8.52915645    -13.41007870
          69
 Energy    -248.14836352390478     
  O     20.04588085     10.29479862    -10.91492354
  H     19.45449180     10.87887655    -11.40271371
  H     17.98282274     12.28860570    -13.00939135
  O     17.99804235      6.37211810     -9.32459818
  H     19.74712359      9.39106666    -11.11421956
  H     17.03667138      7.25163695    -13.48202500
  O     17.69502700      3.43309710    -11.74610279
  H     17.27803698      5.86901662     -9.72670744
  H     18.20265742      6.32914886    -13.99224578
  O     18.93351174      4.63125889    -14.09522363
  H     18.62478382      5.76549312     -8.91267374
  H     20.21949228      3.83863548     -9.79245129
  O     21.85356256      6.91137830    -11.65115427
  H     16.97524513      3.97789382    -11.40267423
  H     19.30171793      3.31683631    -10.93093357
  O     15.86424787      5.29631022    -10.69447777
  H     17.95532586      3.82656865    -12.58658557
  H     13.13449380      8.55056966    -10.97897755
  O     21.58483785      7.07378041     -8.82632849
  H     18.94350023      4.11052310    -14.89577956
  H     13.13411505      7.06059820    -10.60542296
  O     14.77651330      8.44425108     -8.09513177
  H     19.82362258      4.56968748    -13.71385432
  H     16.96681272     10.44086971    -11.53494882
  O     21.42281239      4.34275725    -12.83897431
  H     21.84826098      6.05033209    -12.08324418
  H     16.88510817      9.61663151    -10.19998445
  O     19.23545369      7.70876372    -11.41637309
  H     20.92107840      7.17524054    -11.59043177
  H     14.66308354      7.52675169    -12.20525634
  O     20.31308583      9.64807148     -8.30091946
  H     15.11367172      5.40773611    -10.09722966
  H     15.95478071      8.32108895    -11.91809841
  O     18.09792977     11.43903474    -12.59365856
  H     15.81411243      6.02568283    -11.32882473
  H     21.39755283      9.87805722    -12.32169797
  O     17.93893266      7.24376959    -13.83226643
  H     21.84013825      7.06286869     -9.75864948
  H     21.99266900      8.52922870    -12.72128162
  O     20.22601135      3.39823326    -10.64894027
  H     21.19852493      7.93766939     -8.64380526
  H     17.66109186      8.01183761     -8.78341174
  O     13.05798832      7.66412014    -11.35484353
  H     15.71725042      8.66034557     -8.09938114
  H     18.41219909      9.28136342     -8.34384204
  O     16.40161368      9.87189596    -10.99826057
  H     14.35327638      9.10044357     -8.66338375
  H     14.70980228     10.15826016    -10.50446291
  O     15.61859685      7.52979105    -12.36109368
  H     22.15604424      3.78452653    -13.08382049
  H     13.49169977     11.06685113    -10.21371295
  O     21.73976343      9.38913825    -13.07989308
  H     21.04731041      3.97162481    -12.01715419
  H     18.78242530      8.84381202    -14.30960745
  O     17.54069221      8.95624797     -8.59328646
  H     18.80823924      7.19601924    -10.71895813
  H     20.13786234      9.55192891    -14.03497820
  O     13.80321406     10.16769422    -10.15236812
  H     18.77125754      7.55273663    -12.24840658
  H     20.69024600      5.65701449     -8.39733371
  O     19.22143568      9.70404850    -14.30696632
  H     20.29060134      9.98918733     -9.21259412
  H     20.30360178      4.57029160     -7.36224656
  O     20.10025111      4.89839966     -8.23373573
  H     20.78417536     10.29226033     -7.77798230
  H     13.20381794      5.68920536     -8.36442260
  O     13.76289707      6.09060801     -9.02413876
  H     18.46719611     10.84206218    -13.27190212
  H     14.14310959      6.89145072     -8.62112697
          69
 Energy    -248.14834425672447     
  O      0.08909802     -0.37117678      2.88954250
  H     -0.81533320     -0.69641814      3.03757322
  H     -3.73086312      1.60738914      2.23472720
  O     -0.21699625     -1.26714597      7.11468330
  H     -0.00792991      0.38626133      2.30006863
  H     -2.89993777      4.52397066      3.89105091
  O     -5.71259276     -2.08438584      1.96134790
  H      0.29866470     -1.58058974      7.85275799
  H     -2.41071381      5.38422821      5.07856702
  O     -4.62035420     -0.29028631     -0.10727849
  H     -0.25370376     -1.99531446      6.46805201
  H     -2.53497016      2.85328489      5.60822058
  O     -2.22192770     -1.51431770      0.25053662
  H     -5.39488174     -1.49172151      1.27139648
  H     -1.62912198      1.59827539      5.68380545
  O     -0.66973914      1.90067131      1.38532668
  H     -5.14332984     -2.86222846      1.94438002
  H     -4.57926412      4.87489930      2.02718082
  O     -0.24434515      0.16177289     -0.68064187
  H     -3.77491952     -0.77216839     -0.10292689
  H     -3.69592543      3.62745612      1.89416676
  O      0.73328363     -3.04341460      2.65827591
  H     -4.98647245     -0.38643274     -0.98313756
  H     -2.05751847     -0.81201942      7.26252439
  O     -0.41564596     -3.23755658      5.28088461
  H     -1.49265425     -0.97964684     -0.09585353
  H     -2.94845548      0.38439923      6.88275711
  O     -3.09696407     -3.44350699      4.57978497
  H     -2.27496513     -1.38489993      1.21053719
  H     -0.74233668      3.76958616      4.03821252
  O     -4.04534966     -4.46998134      2.16476426
  H     -1.63552302      1.92792683      1.35068736
  H      0.17712558      2.57628980      4.35287601
  O     -3.50119437      1.91265568      1.34019244
  H     -0.39052744      2.47461625      2.11313544
  H     -3.05198299     -0.48503246      3.29037180
  O     -2.38346200      4.50286895      4.71463929
  H     -0.30700706      0.88642392     -0.03667125
  H     -2.67540153     -1.97180946      3.56216844
  O     -2.52132572      1.92544400      5.87279360
  H      0.37043360      0.45273789     -1.34855469
  H     -4.19882528     -1.65311228      6.75369477
  O     -3.77513819      4.47804737      2.35358689
  H      1.63306628     -3.21223459      2.38861221
  H     -5.30610383     -2.63473614      7.20616163
  O     -2.97624048     -0.51991879      7.21929775
  H      0.62591670     -2.07767186      2.67185718
  H     -5.77199674     -1.33008455      5.08299404
  O     -0.00454496      3.25449739      3.69030513
  H     -1.34615166     -3.42083290      5.08763523
  H     -6.04451443     -1.26651555      3.55462000
  O     -2.46535920     -1.20313898      3.01915338
  H      0.04461167     -3.27062203      4.43516246
  H     -0.76776204     -3.83607839      1.68857573
  O     -4.84043708     -2.31569260      6.43791327
  H     -3.76944164     -3.14840575      5.20781087
  H     -1.74340251     -3.25373208      0.65528260
  O     -6.07208146     -0.74949168      4.37463169
  H     -3.53301150     -3.90518734      3.85232838
  H      0.14646689      0.44933504      4.52381061
  O     -1.54913309     -4.05206296      1.16722963
  H     -4.38802084     -5.31198182      1.87667123
  H      0.06713845      0.24244410      6.04857903
  O      0.04565437      0.92143962      5.36261208
  H     -3.14959350     -4.38972471      1.79135191
  H     -3.59915323      1.27049239      4.56751164
  O     -4.04409457      0.92661425      3.78388155
  H     -3.91903866      1.28895208      0.73696932
  H     -4.83518453      0.43227678      4.04806677
          69
 Energy    -248.14825933067038     
  O     -5.90838059      1.00210933      6.36336085
  H     -6.43007696      1.37518668      5.63531675
  H     -4.74781326     -1.40544516      1.98870586
  O     -8.49088034     -2.28101933      4.89737873
  H     -5.76908184      0.06941344      6.13752342
  H    -10.38240197      2.39578833      5.97128785
  O     -7.79223673      4.29380814      5.72127852
  H     -8.94452502     -1.64968933      5.48548673
  H    -10.54636662      2.28685154      4.41910357
  O    -13.37082476      2.75816571      5.61736045
  H     -8.97580557     -3.09999539      4.94463399
  H    -11.64866372      5.97567917      5.54995462
  O     -7.37806048      1.99591781      4.28134138
  H     -7.73778814      3.45480907      5.23805129
  H    -11.91967331      7.36932079      4.93730075
  O     -7.96178495      1.08734542      8.22606465
  H     -6.91415405      4.69710739      5.66784611
  H    -12.53149750      5.18611307      3.69107593
  O     -9.62223708      3.26243600      7.41953916
  H    -13.99329960      2.07467326      5.85110434
  H    -13.22207462      3.85263015      4.02013867
  O    -11.88984912      4.85905525      6.87178884
  H    -12.51233802      2.32172818      5.48343642
  H     -7.03444910     -0.55061109      2.71709177
  O     -6.61228539      5.83647404      2.50307243
  H     -7.74761641      1.18182288      3.91705402
  H     -8.26924435     -1.05983460      3.48533743
  O     -4.16322923      1.57835950      2.78318509
  H     -6.93976962      2.43319067      3.53794470
  H     -9.90462505      6.06777016      4.01462885
  O    -10.37163923      3.28370632      2.86683426
  H     -7.65938452      0.79782124      9.08361394
  H     -8.67451787      5.25437532      4.50532836
  O     -5.20092460     -0.90998118      2.66561138
  H     -7.18420196      1.09018666      7.64399865
  H     -7.10184786      2.72442318      1.53094790
  O    -10.78346430      1.87443603      5.26093045
  H     -8.95781923      3.76141161      6.91755694
  H     -6.41502800      4.06023327      1.99898332
  O    -11.54889891      6.51242313      4.74317570
  H     -9.13836407      2.55374486      7.85844658
  H    -10.09987730      0.31091484      5.95019599
  O    -12.87333107      4.37774996      3.28901875
  H    -11.13599226      4.37420405      7.23216801
  H     -9.10610720      0.03593351      7.10047533
  O     -7.96755959     -0.36234563      2.89103334
  H    -12.51849408      4.18945596      6.57364582
  H     -6.65337573     -1.90439123      5.30061360
  O     -9.07703127      5.66448851      3.72400415
  H     -6.49882603      6.62346815      1.97582148
  H     -5.45189513     -1.41082106      4.48263181
  O     -6.31419520      3.10272997      1.95345905
  H     -7.51474772      5.86973156      2.86226084
  H     -3.11094646      2.67934002      5.94042288
  O     -9.63709739     -0.39520049      6.42139278
  H     -3.97086979      1.96693560      3.64388947
  H     -4.53945323      2.10237723      5.85274107
  O     -5.76109787     -1.54590549      5.38808199
  H     -4.82718619      2.15126868      2.37164387
  H     -9.31568012      2.30320453      1.67908149
  O     -3.90840824      2.69631401      5.41555829
  H    -11.29229768      3.58285665      2.84077408
  H     -8.51751408      0.98516998      1.62182962
  O     -8.62069397      1.84214751      1.18874384
  H     -9.84680073      4.06949190      3.06393290
  H     -5.52345215      5.40567298      4.15203720
  O     -5.30919958      5.19926439      5.06920433
  H     -4.77979195     -0.03257461      2.69809453
  H     -4.76116418      4.40457188      5.06989941
          69
 Energy    -248.14791361283218     
  O     13.59566295     11.33119828     -8.37355908
  H     13.82954547     10.51418326     -8.85240180
  H     15.27772614     13.39897458    -16.20950960
  O     11.41304223     11.20374859    -15.07308713
  H     13.57311726     11.10579273     -7.44715443
  H     13.40999977     13.25313877    -12.05995880
  O     14.05934265      9.10563610     -9.82448205
  H     11.79446056     11.48781916    -15.91216511
  H     13.31914647     14.56644630    -11.25358027
  O     18.31810052     13.21581103    -13.21170922
  H     11.24933358     12.00457474    -14.55111964
  H     11.58897106     14.37732121    -15.03042155
  O     11.55083976     11.82448819    -10.24167143
  H     14.85192119      9.01381947    -10.37371920
  H     12.21563055     13.94755853    -16.37313746
  O     11.87188072      9.41115714    -11.62426369
  H     13.30439100      8.98153221    -10.41079643
  H     15.32912023     12.05704530    -12.36593244
  O     13.47678878      9.81433297    -13.83031558
  H     19.26452205     13.23805281    -13.32708668
  H     14.20969097     11.37452889    -13.20799733
  O     14.76463296     15.54859448    -10.60733606
  H     17.96724639     12.61982966    -13.89718438
  H     16.91589602     10.64849642    -14.82517344
  O      9.74418473      9.60741877    -13.50199953
  H     12.12957463     11.66836848     -9.48472390
  H     16.67403289     11.83886509    -15.77107323
  O     14.76300987     14.24988890    -14.79212184
  H     11.92489619     12.59305050    -10.69579631
  H     12.54822296     12.14195781    -18.27096161
  O     10.84310234     13.47885106    -13.58033213
  H     11.76197531     10.25035911    -11.15176922
  H     13.68166111     12.35876260    -17.24698536
  O     15.45252949     12.81531913    -16.97082441
  H     11.08198730      9.30004121    -12.16602293
  H     16.55018026      9.99734948    -11.36776028
  O     12.78314973     13.87372275    -11.65536929
  H     13.03835815      9.56748717    -13.00327115
  H     16.29286774      8.93874121    -12.44681872
  O     12.20596249     14.65686679    -15.72173871
  H     12.80525320     10.25508862    -14.36692034
  H     16.06279501      8.19498629    -14.85201089
  O     14.55045414     12.22611681    -12.91351137
  H     15.38450880     15.49475467    -11.35682869
  H     15.10211847      9.24547165    -14.24973052
  O     17.25948200     11.51491621    -15.07906872
  H     14.82231251     16.43778169    -10.26834690
  H     16.49389830     12.28754127    -10.55604660
  O     12.72303493     12.24396570    -17.33793643
  H      9.13889018      9.05681948    -13.99257609
  H     17.43355126     12.31388579    -11.82127047
  O     16.26350776      9.08058285    -11.49618556
  H     10.26120627     10.10608227    -14.15523483
  H      9.86680198     11.91283560    -11.19444108
  O     16.03937509      9.03607818    -14.40175746
  H     14.69386656     13.53236285    -14.14330884
  H      9.23006795     11.13000198    -12.35985044
  O     16.79021418     11.78854421    -11.33324040
  H     13.86753277     14.52291068    -15.03963464
  H     15.83475481     15.12965651    -13.54632914
  O      9.22590500     11.98524319    -11.91468603
  H     11.51449850     13.74807091    -12.93692889
  H     17.13056306     14.68136569    -12.86241755
  O     16.39422083     15.29818892    -12.77595245
  H     10.12779752     13.08242559    -13.06329306
  H     14.89375951     12.61653976     -8.95463803
  O     15.63024141     13.14391581     -9.28844735
  H     15.98530570     13.31794877    -17.58325630
  H     15.26857187     13.97690860     -9.61289939
          69
 Energy    -248.14774010736232     
  O      4.21577772      8.73415827      3.78611507
  H      3.88599874      7.83891288      3.63059368
  H      1.10144662      5.33949936     -1.38409752
  O      3.06392137     11.15961428      0.48746718
  H      3.53839294      9.17181200      4.31524849
  H     -0.24469270     10.19706435     -0.96494105
  O      1.38956617      7.99626507      1.57133753
  H      2.46079562     11.08985850      1.24384983
  H     -1.20866864      8.99368350     -0.92336405
  O      1.98298649      9.85164946      5.17121266
  H      3.85609103     10.67439309      0.73960139
  H      3.89333282      7.71311445     -0.63078837
  O      2.98665009      6.32386307      3.04780767
  H      1.36954460      8.89775602      1.91820434
  H      5.07207056      8.19053471      0.25893476
  O     -1.47211205      7.13605395     -1.41887943
  H      1.68955195      8.04182968      0.65391506
  H     -1.33752646     10.35051382      1.16608185
  O     -2.23764130      8.18705262      3.45328220
  H      1.90595248     10.32594376      5.99444369
  H     -1.74664056      9.85309692      2.57900973
  O      1.33468264     10.62337468      2.54846457
  H      1.29678788      9.15943868      5.18158358
  H      1.75085094      7.36755670     -1.50607098
  O      2.89233297      5.49091033     -3.94315865
  H      3.49387988      5.80157457      2.41535922
  H      1.97001505      8.92510798     -1.40689280
  O      5.28874550      6.47441550     -2.89207491
  H      2.39272061      6.89286766      2.53052663
  H      1.83096485      5.61794175      4.17200169
  O     -1.11830457      6.84942961      1.36275108
  H     -0.67571968      6.68005923     -1.74057402
  H      1.44762835      4.73831323      5.38555172
  O      0.86568160      5.92554052     -2.12365645
  H     -2.18479562      6.88214745     -1.99987804
  H     -0.74042441      8.04860763      4.59447370
  O     -1.06892425      9.88149201     -0.57604311
  H     -3.13503064      7.91678944      3.63025753
  H      0.33189305      7.01155721      5.01073805
  O      4.79220196      7.48710797     -0.33930662
  H     -1.93025968      7.66118474      2.69467383
  H      4.91402775      9.30721414      2.30215086
  O     -1.33265487     10.58361912      2.10750844
  H      1.53444596     10.49477577      3.48223603
  H      6.10215718     10.05132741      1.65533073
  O      2.25133592      8.06672182     -1.06586009
  H      0.37386334     10.71822624      2.44859241
  H      2.07063978     10.92134615     -0.89818327
  O      1.08225905      5.30100297      4.70730725
  H      3.11797414      4.72022028     -4.45906269
  H      1.59149414     11.33132773     -2.31336089
  O      0.07981491      7.93939336      5.09064741
  H      3.73161883      5.82995544     -3.59472191
  H      0.25973365      4.58574022      3.09871447
  O      5.29710214      9.58273964      1.44992340
  H      5.98003407      6.97296601     -3.32231256
  H     -0.54138811      5.17039058      1.92630051
  O      1.49348896     10.66309345     -1.64113257
  H      5.20978520      6.84940731     -2.00199529
  H      2.55065833      4.58871252      0.31811571
  O     -0.04210040      4.39042145      2.20495285
  H     -1.35225140      6.89904320      0.42889930
  H      1.09138183      4.34195633      0.77915074
  O      1.65301479      4.45562511     -0.00119063
  H     -0.24296032      7.25846098      1.45239829
  H      5.03685557      4.46976586      0.74888835
  O      4.32901144      5.08251900      0.93194487
  H      1.48347312      5.74628022     -2.84516470
  H      4.54801158      5.90858466      0.47020325
          69
 Energy    -248.14771881368961     
  O     -1.80988625      4.77673598      3.80399532
  H     -1.63945984      4.45007717      2.91079132
  H     -3.70496315     -3.90236699      1.32547170
  O      0.83173800      1.63077387      0.91365628
  H     -1.21667568      4.27958641      4.38148621
  H     -4.51026912      5.24494407      5.38185776
  O     -1.12602417     -0.75212721      3.09815726
  H      1.54741139      1.74729568      0.29347697
  H     -3.41505664      4.64149075      4.47121093
  O     -4.72421128      0.67784897      1.17359866
  H      0.37882199      0.80850784      0.66312669
  H     -2.53467419      3.34697445     -0.08252881
  O     -3.42532253     -2.32933678     -1.41549133
  H     -1.87049451     -1.31683512      3.34817932
  H     -4.03632316      3.30150920     -0.39713442
  O     -0.66670976     -0.62371083      0.32911120
  H     -0.98031102     -0.84511016      2.14702790
  H     -5.48603271      3.49066625      3.87130485
  O     -4.37225374     -0.36562721      5.75239353
  H     -4.08745508      0.96372519      1.84794470
  H     -6.26795583      2.15632239      3.71425980
  O     -6.65945666      0.45009989      4.56269796
  H     -5.17993846      1.47340915      0.87085247
  H     -1.93649446      2.66671819      1.96060885
  O     -0.32879900      3.00271255      5.50135660
  H     -3.33621224     -1.36678100     -1.40126366
  H     -0.59743765      2.86005890      1.21603423
  O     -2.93561707      0.40161800     -0.87808131
  H     -4.15569849     -2.55514479     -0.82652211
  H     -5.89493333      3.20144463      1.56370096
  O     -5.86153904     -1.35201998      2.50535208
  H     -1.43211405     -0.22725963     -0.11428964
  H     -6.56369851      3.54322533      0.21326517
  O     -2.87019155     -4.04336575      1.79023687
  H     -0.65003725     -1.55437888      0.07317143
  H     -3.15337113     -2.94062443      3.19297906
  O     -4.25241782      4.44580793      4.92995021
  H     -3.79687793      0.40638647      5.84216220
  H     -4.24971446     -1.87510009      3.36259089
  O     -3.16729149      3.16368407     -0.79070565
  H     -3.89052930     -1.02887393      5.24422371
  H      0.16067417      0.43424054      3.69463594
  O     -6.07444090      2.99846574      3.28600925
  H     -7.38301369      0.40041236      5.18245040
  H      0.91527287      1.45806665      2.84219674
  O     -1.42485358      3.30295280      1.43708227
  H     -5.86165471      0.16742851      5.04575916
  H     -3.49285611      2.87875931      5.60926114
  O     -5.76745669      3.18568693      0.59751649
  H      0.32443458      3.19558847      6.16845590
  H     -2.04745339      2.33484518      5.75188462
  O     -3.40817274     -2.17483972      3.72981365
  H      0.08338209      2.37515770      4.88083030
  H     -6.09660699     -3.77844879      0.35496105
  O      0.71373282      1.22594943      3.75576987
  H     -2.90492304      1.34509724     -1.08630794
  H     -5.61828226     -2.61266782      1.24426174
  O     -2.97493890      2.06774201      5.69856251
  H     -3.58487374      0.34642955     -0.16109889
  H     -0.69111110     -3.93108803     -0.96200062
  O     -5.34240305     -3.22422740      0.54245968
  H     -6.31592002     -0.88621351      3.21550611
  H     -1.92813502     -3.00615967     -0.84219533
  O     -1.11022531     -3.29065741     -0.39344406
  H     -5.48502890     -0.64888500      1.94922869
  H     -2.96064936      1.69961759      3.87222893
  O     -2.80394851      1.42853788      2.96088382
  H     -2.17919908     -3.86590931      1.14201164
  H     -2.18898115      0.68281541      3.00097029
          69
 Energy    -248.14758444853527     
  O    -11.54703452      7.29271758     -1.22341698
  H    -11.52336715      6.34679418     -1.03499880
  H    -13.42134181      8.73909638      0.83651054
  O     -6.85588378      9.97541027      3.46182339
  H    -11.03692063      7.45398502     -2.02784688
  H    -11.65908880      5.32415247      1.31563845
  O     -8.03486410     10.43207244     -0.38099102
  H     -6.30235318     10.37298284      4.13090393
  H    -10.66014159      5.99119147      2.26767471
  O     -7.91655911     12.07409812      1.94195018
  H     -7.21597596     10.70399019      2.93274345
  H     -8.32435345      8.87397786      4.01145493
  O     -5.30104745      6.89360361     -2.11328952
  H     -7.92574460     11.07312819      0.32969065
  H     -8.92094697      7.53082659      3.56105888
  O     -8.71721792      4.56068999     -0.05830320
  H     -8.64868435      9.75797607     -0.04809405
  H    -14.05434443      7.57613998      3.11662962
  O     -9.85960727      8.60628691      0.61064773
  H     -7.62542038     12.98125329      1.90042749
  H    -12.75938108      7.09437675      2.42039567
  O     -9.87820158      8.04703477     -3.33694922
  H     -8.89031427     12.08866783      1.88190153
  H    -11.71588197      3.77619794     -0.77593107
  O     -5.65234136      9.00975358     -0.50831910
  H     -5.38347704      7.72279739     -1.60622016
  H    -10.42590418      4.48639770     -0.29687392
  O     -8.74059050      6.49074898      1.93541429
  H     -4.61411492      7.03141446     -2.75917010
  H    -12.54608520     10.65206757     -0.44021856
  O     -9.95742438     10.57413607     -2.38322966
  H     -7.97316251      3.98196353      0.15751407
  H    -12.76426791     12.07546337     -0.99653195
  O    -13.27244138      9.11796590     -0.03701941
  H     -8.45371636      5.13380276     -0.79810335
  H     -6.98896388      7.19202643      1.93769901
  O    -11.59953655      5.82286969      2.14026853
  H    -10.46928860      8.18998207     -0.01210968
  H     -6.27517675      8.44061318      2.49254111
  O     -9.08683835      8.29364126      4.12874400
  H    -10.38008423      9.00819775      1.31885793
  H    -10.87193030     11.22761830      2.22355908
  O    -13.34709374      7.86109757      2.54444703
  H     -9.89291963      8.97706270     -3.04727105
  H    -11.05434932     11.89843226      0.84754155
  O    -11.38863751      4.59150805     -0.40627791
  H     -9.98751081      8.05379695     -4.28410211
  H     -5.21768269      6.23968156      1.01826239
  O    -12.08865548     11.47298536     -0.69492916
  H     -6.44072113      9.56146757     -0.59492673
  H     -5.01278304      5.91678650     -0.47541855
  O     -6.14609123      7.66474016      1.93405269
  H     -5.74793403      8.56537255      0.34439942
  H     -5.93047935      2.54724852      1.03575710
  O    -10.57983676     11.97698235      1.68333555
  H     -9.08163089      7.24804849      1.43124128
  H     -5.84950549      4.00729752      0.55566711
  O     -4.97261984      5.53281013      0.40906374
  H     -8.66109278      5.75374932      1.31434036
  H    -10.51720506      9.14991125      3.46324264
  O     -6.43655760      3.23325188      0.61040566
  H    -10.71120623     10.90358674     -1.87923768
  H    -11.98000864      9.05977367      2.91025355
  O    -11.17654532      9.59299886      2.90829623
  H     -9.19626451     10.65225589     -1.79114459
  H     -7.11592923      6.46725608     -2.17250650
  O     -8.04588303      6.23182216     -2.06298085
  H    -12.79534519      8.44175059     -0.53893654
  H     -8.56873250      6.89411708     -2.52673356
          69
 Energy    -248.14744445035510     
  O     -3.04736541      5.46678751     -1.27859481
  H     -3.70235862      6.07409929     -1.61188894
  H     -1.92519923      0.03235639      2.52640648
  O     -0.48970961      1.33439942      5.18467932
  H     -3.16573670      5.42470433     -0.31238363
  H     -1.20116318      5.76550745     -1.52997365
  O     -1.02468679      2.74308870      0.76249239
  H     -1.10542885      1.55552675      4.46654033
  H      0.21399212      5.12264453     -1.67506548
  O      1.26040489      3.59661835     -1.79180188
  H     -0.80189687      1.78943758      5.96296058
  H     -1.94156412      2.50463630     -2.22376934
  O      0.86681625     -0.67267461      0.98942547
  H     -1.57182816      2.71540916     -0.03046506
  H     -2.78011624      3.69177911     -1.62202164
  O      0.71227957      7.07956889      0.67596709
  H     -0.14714520      2.41479961      0.53057427
  H     -1.42981036     -0.65250633     -1.11755757
  O     -3.29932587      5.22203726      1.41249213
  H      1.48366078      2.99906548     -1.06230433
  H      0.05852418     -0.53279615     -0.75521445
  O      2.12259414      1.47953712      4.07006795
  H      0.75210647      3.04912417     -2.40204070
  H     -4.57109166      2.22269669      1.42631733
  O     -0.12255689     -1.43969396      4.46676024
  H      1.50038712     -0.92502961      1.67372611
  H     -5.53632114      2.77076791      2.50549810
  O      2.80715211      5.19693240      0.24150100
  H     -0.00355697     -0.70832093      1.40857047
  H     -3.07051438      2.08688297      2.95664835
  O     -0.55085009      5.06894117      2.21853617
  H      0.70825163      8.03203711      0.64994626
  H     -1.69620527      2.11760504      2.26284161
  O     -1.65754303     -0.86256785      2.27705048
  H      0.34356991      6.76781311     -0.17190029
  H     -0.43432097      1.46135458     -4.03446097
  O     -0.25688340      5.95828466     -1.54935157
  H     -2.44813090      5.26175271      1.86637394
  H     -0.47178510      0.99279834     -2.56064044
  O     -2.60600192      2.74287413     -1.56572427
  H     -3.75528115      4.43720349      1.73931907
  H     -3.29546977     -2.14104325     -0.17456561
  O     -0.57911175     -0.34708272     -1.45496086
  H      1.26376576      1.50353346      4.51039801
  H     -2.51640809     -1.21228398      0.78466713
  O     -4.62711266      2.78736374      2.21947029
  H      2.20493659      2.31578093      3.59383879
  H     -3.80254028      1.75815983     -0.62319825
  O     -2.16241965      1.77337465      3.04072693
  H     -0.23632972     -0.57012304      4.87165749
  H     -3.95082455      0.35245373     -0.01820838
  O     -0.48723828      1.77910882     -3.13696337
  H      0.78816723     -1.46110262      4.14707038
  H      1.15905469      4.19663188      2.59702281
  O     -2.94106559     -1.25927418     -0.08961018
  H      2.50048254      4.78275731     -0.57169653
  H      2.45836938      4.26250819      1.76870459
  O     -4.31037936      1.24574294      0.02219228
  H      2.21556032      5.94736886      0.38764587
  H      1.44502812      1.00370616      0.62066510
  O      2.00790580      3.75780870      2.46285819
  H     -0.69245452      4.33692628      1.59796976
  H      1.82341350      2.42596835      1.16680334
  O      1.58929563      1.92603300      0.37328104
  H     -0.14542359      5.79540914      1.72486953
  H      3.33287519     -1.39010980      3.47003708
  O      2.46394794     -1.06554557      3.25159011
  H     -1.20895460     -1.23842606      3.04847378
  H      2.42797372     -0.13516444      3.54258721
          69
 Energy    -248.14733379126119     
  O     12.14591638     10.94916363    -14.76551667
  H     12.15067176     10.12628568    -15.27831080
  H     14.98062218      5.54257813    -14.21373396
  O     15.60872611      6.71676505    -12.91182811
  H     12.91578834     11.44396490    -15.06156773
  H     19.02336346      7.56664901    -15.01130678
  O     17.75013439     10.75620356    -12.31220315
  H     15.37063978      7.44670929    -13.50732012
  H     20.47872649      7.43398278    -14.50518080
  O     16.42484906      9.96761706    -16.30839198
  H     15.07496321      6.85144702    -12.11788387
  H     14.79846129      9.65450881    -13.79542834
  O     11.86893961      6.07717447    -14.70348130
  H     17.91211742     11.20478127    -11.46926000
  H     13.99805650      8.76509734    -14.81417176
  O     15.82654511     10.37995231     -8.95240216
  H     17.80520007      9.80392765    -12.15846084
  H     11.58980147     10.48290351    -13.16909976
  O     14.20274909      7.52785328    -10.63442550
  H     15.92706210      9.49015443    -15.62356652
  H     10.42069124     10.50895429    -12.15913401
  O     15.13378451     11.25497498    -12.92551881
  H     17.25631579     10.25972480    -15.90072860
  H     12.61679343      7.26544016    -11.67366000
  O     15.81493613      5.77981672    -17.28420914
  H     11.08363063      5.53895530    -14.75541921
  H     11.63907348      8.27483654    -12.31635500
  O     16.81898644      7.73583384     -9.51048522
  H     11.86577425      6.49385648    -13.82222818
  H     19.19165885      9.68405826    -14.78087244
  O     17.88346743      7.42078001    -16.31759694
  H     16.16025947      9.47916985     -9.04604863
  H     18.43163983     10.77022428    -14.01997247
  O     14.54618111      5.16440455    -14.98986079
  H     15.00817628     10.41789836     -9.46334699
  H     17.16508615      7.45534205    -12.39280883
  O     19.63012074      7.81121533    -14.28891848
  H     15.00173752      7.45312982    -10.09966386
  H     18.62085419      7.85755710    -12.72447489
  O     14.84250666      8.86953375    -14.35672103
  H     14.02198548      8.47824471    -10.69848548
  H     18.09793160     12.64107570     -9.27149386
  O     11.28920799     10.14386487    -12.30752671
  H     16.07881531     11.16097949    -12.73075719
  H     17.16320785     11.43047915     -9.45160629
  O     11.90880189      7.34804114    -12.32358327
  H     15.03975912     11.75734639    -13.74208039
  H     15.23829924      8.93721241    -17.55804904
  O     18.70490395     10.50594966    -14.91018660
  H     15.35472573      5.51538788    -16.46719272
  H     14.99350986      7.42302060    -17.72613035
  O     17.93234690      7.94040950    -12.05248878
  H     15.85373146      5.00776624    -17.84194585
  H     12.78031725     10.28460429    -11.16709986
  O     17.91638184     11.90289425     -9.84598860
  H     17.35534954      7.20673793     -8.92474931
  H     14.21984376     10.69290510    -11.51387094
  O     14.57297139      8.28894189    -17.81409399
  H     17.31334429      7.81454666    -10.34237522
  H     15.31013941     11.44800161    -15.96577040
  O     13.68347790     10.26474926    -10.82912129
  H     17.25385970      6.76664900    -16.64461812
  H     14.86982751     12.91799124    -16.10645722
  O     14.72878607     12.12703243    -15.59095089
  H     17.47319484      8.27745503    -16.47582655
  H     13.16393151      8.38559155    -16.70323609
  O     12.56437115      8.50400018    -15.95081108
  H     13.61178462      5.39096684    -14.90813429
  H     12.26428237      7.63656342    -15.65435979
          69
 Energy    -248.14722013574823     
  O     12.00564373     10.16426787    -15.91548179
  H     12.45542030     11.01211494    -15.82587530
  H     15.41545574      5.63610034    -15.85965572
  O     16.33936499      6.97527683    -13.12880335
  H     12.65772038      9.56484584    -16.30535492
  H     18.97935645      8.25876919    -13.09277509
  O     15.77424687     11.07238609    -10.77588601
  H     17.17649256      7.19096273    -12.70853312
  H     19.64407551      7.72525648    -11.80543097
  O     17.64579558     10.93111203    -14.77549962
  H     16.06527487      7.77640756    -13.60856521
  H     16.64631690     11.61130072    -16.15162481
  O     13.58996053      5.76391341    -16.27725023
  H     15.05597156     10.87618669    -10.15714404
  H     16.06328831     10.90204918    -17.37928840
  O     13.55490573     10.07256488     -9.42822139
  H     15.33490079     11.22749229    -11.62400497
  H     15.03028951      9.85664204    -13.95330418
  O     13.87555627      7.03626160    -11.80149378
  H     16.91992383     10.29251135    -14.69504599
  H     14.96008633      8.96050722    -15.23173987
  O     14.25328381     11.21497153    -13.09685059
  H     17.88487273     11.18421168    -13.87229398
  H     11.08924010      9.30587726    -14.73741138
  O     18.02525696      7.24873547    -17.07334236
  H     13.10437654      5.95722716    -15.45370213
  H      9.71095482      8.87972478    -14.17316568
  O     14.61945801      7.38816755     -9.12383624
  H     13.09816233      5.08632615    -16.73273262
  H     16.51279716      9.44928490    -10.32877826
  O     19.15188958      8.59939743    -14.78061018
  H     13.80875535      9.17925729     -9.16739909
  H     17.54341244      8.37109947    -10.71407286
  O     16.34722243      5.73212404    -15.62942226
  H     13.00541151      9.96074273    -10.21506448
  H     12.78070114      6.51750593    -13.21206129
  O     18.83332161      8.10008858    -12.14201716
  H     14.74712082      6.96560562    -12.21507935
  H     11.65574710      7.16528928    -14.05150587
  O     15.95796465     11.68496697    -16.82954724
  H     14.02554488      7.02866018    -10.84783071
  H     18.56782425     10.21949436    -11.94496376
  O     15.49647989      9.17653959    -14.45954366
  H     13.50500251     10.70366309    -12.75274685
  H     17.48650626     11.23707035    -11.54095308
  O     10.64993120      8.77993816    -14.04415215
  H     13.96464213     11.72847318    -13.86014498
  H     16.54466486      9.16909644    -19.17188393
  O     16.85394012      8.57825493    -10.07738969
  H     18.65534863      6.67463445    -17.50189185
  H     16.97874817      8.52716012    -17.83669507
  O     12.27761669      6.42804837    -14.03229068
  H     17.41913652      6.67294995    -16.57118600
  H     12.96851441      8.63748711    -11.94582576
  O     18.27088070     11.12124496    -12.09525218
  H     14.78307757      6.90642765     -8.31793090
  H     11.71742635      9.26960232    -12.60314987
  O     16.34157417      9.13829538    -18.23959575
  H     15.47543056      7.75532721     -9.41267500
  H     14.46904614     12.19623495    -16.05240450
  O     12.44575767      9.45123482    -11.99723177
  H     18.83137485      8.10760736    -15.54348949
  H     13.51114231     13.37084754    -15.75166779
  O     13.66423044     12.44815286    -15.56560616
  H     18.78554303      9.49072384    -14.87378090
  H     14.76313974      8.64928336    -17.39023490
  O     14.04368548      8.48401305    -16.76868890
  H     16.36933995      6.02252970    -14.70720866
  H     13.90132755      7.53031688    -16.71006530
          69
 Energy    -248.14674106233468     
  O     -0.04720347      3.17908186      4.37162009
  H      0.01035714      3.68312487      3.55038459
  H     -0.18087381     -0.18803076      2.31080203
  O     -2.29950143      1.58671083      4.17329121
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  H     -0.37056266      3.59152981      1.19542038
          69
 Energy    -248.14668986990100     
  O     -7.40994326     -2.91065384      6.08289534
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  H     -3.81586773     -0.52095451      3.80194541
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  H     -5.64207043      2.10711777      5.13979405
  O     -3.48727945      4.71098453      3.52804031
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  H     -7.46043270      2.63066838      1.91489281
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  H     -7.42474846      1.09357438      2.11016529
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  H     -6.01173208     -2.35617543     -0.95700439
  H     -6.44768523      3.54284684      3.60102695
  O     -7.12629011      3.97703803      3.06122886
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  H     -6.65172879      4.60495691      2.50218328
          69
 Energy    -248.14668029711578     
  O     10.56213731      9.61110137    -11.16393880
  H      9.79839565      9.31113427    -10.67799388
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  H     14.68985067      9.43849829    -11.97532507
          69
 Energy    -248.14666447407774     
  O     11.39309326     10.49383825    -14.26724396
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  H     14.04623834      6.04614262    -15.94059975
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  H     16.73827691      6.87529114    -13.16993304
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  H     12.43731231      9.09710267    -11.04765918
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  H     17.17232523      6.07512714     -9.35251618
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  H     11.03679206      8.89310116    -17.36679935
          69
 Energy    -248.14663257092474     
  O     -1.75906861      3.71971230      2.53167517
  H     -2.35860507      3.54476441      1.79198277
  H     -0.81218310      8.21438273      0.54377585
  O     -2.77668882      5.67903350     -1.22445341
  H     -1.23281515      2.92098956      2.65317267
  H      0.38619557      3.97868143     -2.21525222
  O      4.28232003      6.71643544      1.75573763
  H     -2.83075292      6.31897755     -0.50390476
  H     -0.04260003      2.71952535     -2.99649975
  O      1.56854026      7.10706760      2.30563698
  H     -1.85140343      5.68980305     -1.51643689
  H      0.98028653      8.23178211     -1.04320851
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  H      4.10700882      6.61275440      0.80179509
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  H      5.11068014      7.18046060      1.83658761
  H     -3.30824616      0.68268631     -1.98758863
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  H     -2.77391700     -0.73563580     -2.30295921
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  H      1.34780460      6.81099554      3.19846607
  H      1.08206309      2.82667172      3.30533993
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  H      2.38786163      3.64022874      3.27264730
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  H      0.42089433      6.43212458     -1.91949851
  H     -3.46122351      4.75418974     -2.65550424
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  H      1.72899391      4.07719531      0.19711439
  H     -4.12100142      4.68938412     -4.04707468
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  H      0.73455929      5.71915889      1.41397284
  H     -2.26092722      2.89750111     -3.77439532
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  H     -0.34992675      4.60730133      1.50000693
  H      0.07411283      0.62992377      2.58374605
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  H     -2.29085497      7.09272424      1.80829372
  H     -0.19977056      1.51043220      1.34822867
  O      1.55653963      3.52911334      3.75936838
  H     -3.21246075      8.15404606      1.17656465
  H      0.90915511      5.99652574      5.59982199
  O     -3.71286748      4.15110891     -3.37259783
  H     -0.22757172      2.08365950     -1.01018073
  H      0.97856697      5.04246413      4.38518389
  O     -1.55924820      2.24181648     -3.86586192
  H     -1.29204990      0.95967774     -0.90343784
  H      3.48470048      3.67983205      1.27251316
  O     -0.01091607      1.53731796      2.30026178
  H     -1.92760580      5.38997949      3.14437433
  H      4.06486216      4.82785676      2.11481205
  O      0.71214708      5.93647419      4.66929012
  H     -1.01413515      6.37974268      3.85908549
  H     -4.21095974      2.31499265     -0.95511149
  O      3.77690936      3.90886181      2.16461027
  H     -2.93002186      4.08920878     -0.30906662
  H     -4.45224722      2.60802917     -2.43287047
  O     -4.54602600      1.91333417     -1.76957088
  H     -2.21530700      2.72142396     -0.07830267
  H      3.22065499      5.38419123     -0.78994817
  O      3.56478558      6.28743774     -0.80075946
  H      0.60939427      8.14806119      1.14388857
  H      2.89362810      6.84349335     -1.21285789
          69
 Energy    -248.14658520078805     
  O     13.36636315      9.46815903    -14.99071393
  H     13.81549252      8.93033644    -15.65802097
  H     20.47361612      7.39452987    -14.64835946
  O     17.06265049      6.68068380    -13.05483139
  H     13.67607374     10.36621320    -15.16452030
  H     17.58413813     10.86258852    -16.94045068
  O     18.50076212     10.56434271    -11.94176199
  H     17.80542104      6.94706695    -12.49812444
  H     16.38150351     10.78557513    -17.90713494
  O     18.95632069      9.73493245    -16.20939319
  H     16.94052455      7.39543873    -13.69987099
  H     16.47098378      9.52721592    -14.25704444
  O     14.67537306      5.29226845    -16.12349527
  H     18.30310905     10.69433846    -11.00555817
  H     17.54257032      9.09909879    -15.28952383
  O     14.98063124      9.87758371     -9.61800100
  H     17.67997283     10.76457108    -12.41641435
  H     17.91999932      8.79017662     -9.05890649
  O     14.64320722      6.80231430    -11.78408824
  H     19.51110941     10.08846299    -15.50156429
  H     18.45622387      7.65471982     -9.94342939
  O     16.09710287     10.98506871    -13.20128941
  H     19.24604283      8.82770418    -16.37979575
  H     13.01539789      7.45176766    -14.37273649
  O     15.32752579      7.08561673     -9.06923349
  H     14.18958091      4.55045300    -16.47412585
  H     13.60616663      6.52409463    -13.29153940
  O     19.58845119      6.99358128    -16.32788119
  H     14.14127459      5.65333161    -15.39322742
  H     19.77823680     10.63700936    -13.20300148
  O     17.49063579      5.44837273    -15.51040092
  H     14.97760331      8.95317262     -9.33778556
  H     21.04413088     11.28010825    -13.81095233
  O     20.85059473      7.72535872    -13.82446504
  H     14.51090967      9.89518807    -10.46069638
  H     18.90833242      8.73364666    -11.75489600
  O     16.76262610     11.30471580    -17.18345625
  H     14.79476064      6.77790940    -10.83208788
  H     19.84423779      7.64063919    -12.32251172
  O     16.77523425      8.78536863    -14.79343207
  H     15.50622222      6.67743772    -12.20917845
  H     16.61527608     10.47588874     -9.42224640
  O     17.93437736      7.82964862     -9.14838841
  H     15.38569714     10.51061726    -12.74583163
  H     17.61067741     11.32511071     -8.59774299
  O     13.22007441      6.53258509    -14.17892972
  H     15.68767819     11.47937255    -13.92321375
  H     15.29626066      8.96189923    -18.25044140
  O     20.41137000     10.57724062    -13.93747487
  H     15.15199538      6.56763204     -8.28837935
  H     14.90259700      9.43386148    -19.66066852
  O     19.16542905      7.80725414    -11.65275107
  H     16.28537852      7.26385012     -9.07938903
  H     14.22930645      8.54781873    -12.07303407
  O     17.55947575     10.68471720     -9.30236135
  H     18.82956822      6.43646440    -16.08165302
  H     13.65738316      9.49935481    -13.15262678
  O     15.53475050      9.57873018    -18.96172835
  H     20.08163102      6.50256797    -16.98055666
  H     15.49333417     11.73854286    -16.09759553
  O     14.01162065      9.47406747    -12.25363520
  H     16.58734765      5.30495813    -15.81318242
  H     14.44169980     12.80335235    -15.70793547
  O     14.78460525     11.94859062    -15.46167613
  H     17.40624897      5.68041947    -14.57469998
  H     15.65768282      8.24577178    -16.09891237
  O     14.99090243      8.00022481    -16.75875176
  H     20.86047295      8.68714993    -13.90622328
  H     14.87513697      7.04512678    -16.69330344
          69
 Energy    -248.14647508769042     
  O     -6.03628898      3.59783198     -2.13084376
  H     -6.04511711      3.38836286     -1.18740528
  H     -6.00157672      0.16605092      1.92602428
  O     -1.58008501      3.18606084     -3.66074304
  H     -5.22099859      4.09742213     -2.28156296
  H     -3.92262108      0.79241767      3.11918518
  O     -5.65218265      2.63867057      0.46552048
  H     -2.22779015      2.46709332     -3.56147660
  H     -3.94855984     -0.43912492      2.19947065
  O     -2.92345051     -1.08579205      0.86128076
  H     -1.52945768      3.38026708     -4.59404160
  H     -0.66286590      2.33369392      1.54436065
  O      0.06158838     -0.30558391     -1.57572862
  H     -4.85499552      2.20831430      0.11767993
  H      0.74464784      1.86338997      1.88692147
  O     -3.41155647      1.20588748     -3.15581257
  H     -6.20760994      1.92562133      0.80060613
  H     -1.65554327      4.06570245      0.15444954
  O     -3.97303800     -2.53422736     -1.28590281
  H     -3.19188746     -1.70051829      0.16712564
  H     -0.68716353      3.03273200     -0.54539534
  O     -2.06446335     -1.24990102     -2.97798506
  H     -1.97342100     -1.17494247      1.01436390
  H     -6.20282634      2.08742720     -2.90832598
  O      0.43033505      2.44536246     -1.81545116
  H     -0.62255877     -0.69257704     -2.14145565
  H     -6.87518570      1.19883266     -3.98305652
  O     -0.21552106     -0.80633710      1.21380141
  H     -0.24404211     -0.39983019     -0.66445056
  H     -1.69682749      1.97329832      3.21205230
  O      2.33011341     -0.91373159     -0.14491414
  H     -3.38401781      1.26401074     -2.18687433
  H     -2.43725945      2.27632630      4.52576764
  O     -6.78257588      0.23360584      1.34675116
  H     -4.34681012      1.18033277     -3.38925233
  H     -6.15197632     -0.10845627     -1.90526452
  O     -4.49709136      0.08942787      2.79805274
  H     -4.74015932     -1.93214665     -1.30403794
  H     -6.33987018     -0.43743700     -0.39735042
  O     -0.16983731      1.81223589      2.19923703
  H     -4.31694975     -3.41976900     -1.36496898
  H     -3.19454434      0.54907630      0.04171715
  O     -1.33078383      3.15753321      0.16589462
  H     -2.68724464     -1.78339333     -2.46975807
  H     -2.63443745      2.00105153     -0.17693116
  O     -6.21035014      1.19392689     -3.30039797
  H     -2.53649265     -0.43242312     -3.18791977
  H     -2.45945993      6.49331855      0.57010414
  O     -2.57612862      2.12114256      3.59317087
  H      0.32489550      1.48181117     -1.81076254
  H     -3.16751132      5.17317657      0.96504724
  O     -6.03543285     -0.79659560     -1.23916442
  H     -0.12633763      2.76994503     -2.53566687
  H     -3.25958378      5.19147818     -1.47953556
  O     -3.33773416      1.38348650     -0.42161614
  H     -0.21641425      0.06813697      1.63054535
  H     -2.83524188      4.40465298     -2.73904221
  O     -2.62651333      5.60213305      0.27652000
  H      0.70387096     -1.02652391      1.02937362
  H     -3.53956561      3.52116023      2.62936536
  O     -3.57129733      4.87750379     -2.33690651
  H      1.66901726     -0.77700475     -0.84486892
  H     -4.69283348      3.69862449      1.61554464
  O     -4.01199913      4.17937539      2.10815205
  H      2.96977795     -1.53094908     -0.49035111
  H      1.72834061      2.22425510     -0.22555451
  O      2.09624646      1.86957296      0.59222538
  H     -7.53689006     -0.01920493      1.87192439
  H      2.36725561      0.96745241      0.38263182
          69
 Energy    -248.14643529623649     
  O     11.27506895      9.64166152    -13.86863674
  H     11.48199174     10.49336354    -13.46682544
  H     15.76928837      7.75066080    -16.99540289
  O     16.82855489      7.85771308    -14.07571754
  H     11.65830696      9.65939562    -14.75663401
  H     14.76924655     13.28190198    -14.18944113
  O     16.66019707     10.44944582    -10.59559764
  H     16.48473816      7.15148443    -13.51475544
  H     13.96253841     12.78789198    -15.42121231
  O     16.48183894     13.65108827    -13.46057087
  H     16.09568227      8.47908693    -14.20408579
  H     15.54059540     10.26683859    -15.09083935
  O     13.92425700      7.19474350    -16.93249333
  H     15.80158261     10.54242402    -11.03655950
  H     14.11892227      9.68660233    -14.94074190
  O     16.13078974      8.04727763     -9.35905029
  H     16.58939904      9.66380694    -10.03569912
  H     10.76917316      6.85383860    -12.51799091
  O     15.58984359      6.06521273    -12.36196147
  H     16.82453040     14.52012655    -13.66026754
  H     11.45922418      8.11230413    -13.09643260
  O     14.26635142     10.48189256    -11.91513393
  H     16.64895098     13.50291689    -12.51419943
  H     19.37510199      8.24114344    -11.83255746
  O     18.14042349     11.59458270    -14.58383885
  H     13.64938707      6.52325014    -17.55167405
  H     20.63379331      7.36366140    -11.78054410
  O     17.69754719      5.89631949    -10.48673388
  H     13.83880373      6.80403789    -16.04346556
  H     14.34214215      5.97760585    -13.81358208
  O     16.51911683     10.81086924    -16.60786816
  H     15.26683948      7.90271374     -9.76688041
  H     12.89671689      6.50026711    -13.88968360
  O     16.66908529      8.08172441    -16.88534160
  H     16.68072498      7.30672082     -9.64016975
  H     16.98501224     12.19822478    -10.65678859
  O     13.87614168     13.13831971    -14.52772417
  H     15.00241435      6.67947763    -11.89599174
  H     17.37406635     13.54639665    -10.03107313
  O     14.94517263      9.83483102    -14.46524261
  H     16.30315406      5.85476085    -11.74713288
  H     17.89712433      8.94961999    -13.14069617
  O     11.62282424      7.23998700    -12.69389658
  H     14.55100513     10.28380526    -12.82137301
  H     17.83472872      9.89111011    -11.89549121
  O     19.74680381      7.43652388    -11.43744408
  H     13.51359813     11.07733534    -11.99639973
  H     15.03991538     11.58301713    -17.05322704
  O     13.63411816      6.19438764    -14.43214074
  H     17.62732356     12.29267457    -14.15940911
  H     14.12894983     12.43426943    -17.97141158
  O     17.06089230     13.14901822    -10.83928191
  H     18.36154892     10.95542909    -13.89510036
  H     13.96984784      8.77464594    -11.33170158
  O     18.41440362      9.56558239    -12.59816715
  H     18.05633787      5.18892067     -9.95691528
  H     13.02514238      7.57017795    -11.49762645
  O     14.13877795     11.93980560    -17.15622978
  H     18.45484207      6.40841458    -10.81875609
  H     12.72267894     12.52044967    -13.39424681
  O     13.85163798      7.84687185    -11.08290431
  H     16.66783691      9.87887730    -16.82695549
  H     11.61413371     12.82306201    -12.35775686
  O     12.13736675     12.11728615    -12.72720500
  H     17.21583923     11.10430241    -16.00146012
  H     13.11657767      8.83805435    -16.61725124
  O     12.75566811      9.64399915    -16.22291357
  H     16.91510984      7.85130610    -15.97904424
  H     13.13795055     10.40726651    -16.67478308
          69
 Energy    -248.14640430156959     
  O     12.73042288      7.49336217     -9.84067720
  H     11.97570323      7.54942279     -9.26198636
  H     15.12423314      7.17606291    -17.04098703
  O     16.99540823      5.43453786    -12.65904313
  H     13.30266796      8.25736859     -9.63525166
  H     15.45271553     10.53569648    -14.98793096
  O     13.61419065     11.50829404    -11.28762083
  H     16.22118840      4.85863848    -12.71256172
  H     15.14432046     11.85528591    -14.23650058
  O     15.79074891     12.70414924    -12.71811305
  H     17.40212938      5.45158473    -13.53718878
  H     16.18686901      7.10150801    -12.64302973
  O     11.92310766      7.12396095    -16.47985564
  H     13.07669665     11.16582522    -12.01190955
  H     14.86657624      7.93574161    -12.54408747
  O     17.29694197      6.02432544     -9.95864313
  H     14.34108180     11.98522560    -11.70639303
  H     13.88445946      6.04576009    -10.03974408
  O     13.59297920      5.94044051    -14.51571110
  H     16.05809306     13.61285232    -12.60992193
  H     15.37409185      5.61900449     -9.98385988
  O     12.51220561     10.30068898    -13.62287841
  H     16.51978190     12.15670472    -12.37361919
  H     14.33761173      3.12086439    -12.50590063
  O     13.34412092     10.43741010    -17.17330289
  H     12.38705294      6.59152444    -15.82123224
  H     14.43625994      4.47282846    -11.75807094
  O     17.85071324      5.57505267    -15.26386946
  H     12.57220550      7.31857550    -17.16721560
  H     18.30837602     10.72606336    -12.50505815
  O     16.53999399      9.10742825    -14.97382717
  H     17.33444769      5.79185983    -10.90142400
  H     17.61996475     10.44040659    -11.14671455
  O     15.58934475      6.80468553    -16.28076582
  H     17.94213902      5.47563130     -9.51860319
  H     18.22048111      9.61491392    -14.45014324
  O     14.80290277     11.24911634    -14.90610220
  H     13.85705785      5.17558064    -13.99253496
  H     19.63043539      9.13503211    -14.08828119
  O     15.82906830      7.99762595    -12.60013035
  H     13.33971793      6.61916833    -13.87040221
  H     16.54085921      8.70118535    -11.11908832
  O     14.49502126      5.32867586    -10.25269411
  H     11.86109709     10.12310373    -14.31258283
  H     17.21867838      8.02397639     -9.93238865
  O     14.54576873      4.04336761    -12.62697399
  H     13.30811312     10.62413309    -14.07069977
  H     13.83693331      8.93408415    -17.89264955
  O     17.77879364     11.12904935    -11.80302492
  H     13.87699215     10.85519247    -16.48376291
  H     14.03018602      8.09933845    -19.18051677
  O     19.02587408      9.86423989    -13.97113185
  H     12.47207488     10.29372718    -16.78564369
  H     15.27224869      9.43035657     -9.58441227
  O     16.95756517      8.88951275    -10.26194718
  H     18.37267107      5.15684221    -15.94377693
  H     14.07525228     10.31236352    -10.03094196
  O     14.01883962      8.03778680    -18.22935368
  H     17.09516972      5.98244526    -15.71738220
  H     11.21969187      8.66967713    -16.02810308
  O     14.32987788      9.58132897     -9.44746934
  H     16.32253418      8.80580268    -14.07665980
  H     10.02533142      9.65224826    -16.07895616
  O     10.94495814      9.58421507    -15.83730126
  H     16.27610514      8.38525622    -15.55474618
  H     12.81846588      8.70368607    -12.89865875
  O     13.06527743      7.81674406    -12.59995998
  H     14.91254358      6.49884074    -15.65899264
  H     12.82336772      7.72174964    -11.67089978
          69
 Energy    -248.14637230632019     
  O      5.35776176     -0.70593933     -0.44210740
  H      5.36804549      0.10429489     -0.96735498
  H     11.24105610      0.96109599     -2.66340091
  O      5.65437495     -2.75863703     -2.23103693
  H      6.09193426     -0.61680990      0.18007316
  H     12.14829655      2.78196801      0.71474364
  O      9.09548478      3.13653238     -3.53367272
  H      5.09838930     -3.48613822     -1.96280921
  H     11.73719131      1.29158148      0.61651817
  O     12.14465586     -0.37216003      0.70677327
  H      5.52385447     -2.05375592     -1.57408962
  H      5.34806868     -0.81206716     -4.90284500
  O     10.98416226     -1.00509050     -5.90591465
  H      9.64317055      2.52678181     -3.01419478
  H      5.48389017     -2.08048254     -4.03000150
  O     10.15600135      1.43125615     -7.19091612
  H      8.47901475      3.51959411     -2.89987597
  H      8.44785459     -2.38777758     -3.75429780
  O     10.52982315     -3.00089045     -1.06796270
  H     11.43730238     -0.94029129      1.03677656
  H      7.48835170     -2.87413488     -2.62723190
  O      9.96839159     -2.08294896      1.40118241
  H     12.43818524     -0.75669653     -0.12842861
  H      4.49582904      1.60202364     -5.00216154
  O     11.58977750      2.70853715     -5.06550565
  H     10.10909833     -1.37930029     -5.74134331
  H      5.47137523      1.25519718     -3.85035036
  O     12.34211225      0.28457123     -3.91034021
  H     10.82706801     -0.25120221     -6.48846534
  H      8.53618711     -0.88060366      1.13848889
  O      8.60599191      2.47046749      0.63282491
  H      9.90493600      1.63535414     -8.08809278
  H      8.03157549     -0.22583790     -0.16239298
  O     10.56671725      1.34443272     -2.08812186
  H      9.33915718      1.43625241     -6.66347801
  H      8.36185340      2.01048930     -4.75852635
  O     11.45252998      2.20237022      0.41739136
  H     11.29152410     -2.55583626     -1.45591371
  H      7.07543378      1.35634577     -5.34171159
  O      5.56930480     -1.75113433     -4.93331432
  H      9.83112475     -3.00624345     -1.73660766
  H      7.79782047      3.34759127     -0.62657518
  O      8.41764875     -2.72782231     -2.84815027
  H     10.12467707     -2.47916412      0.52368507
  H      7.02081945      4.62414417     -1.02022807
  O      5.28595773      1.10986413     -4.79476986
  H     10.01652574     -2.79317631      2.03563792
  H      6.33690632      2.30809510     -1.90558167
  O      7.88065743     -0.26168004      0.79572856
  H     10.84435963      3.10561142     -4.60165163
  H      6.82661200      0.86701578     -2.17564376
  O      8.03484184      1.39508293     -5.43080584
  H     11.21763343      2.36146278     -5.88704841
  H      7.33793639     -1.67777128     -5.31780761
  O      7.33571979      3.79151748     -1.36148268
  H     11.90740927     -0.28464535     -4.56525653
  H      8.30130034     -0.48034388     -5.25094438
  O      6.04242927      1.44052043     -2.20718350
  H     12.29850858      1.17888195     -4.27822721
  H      8.39317531     -0.99550982     -2.26499403
  O      8.27805118     -1.44571061     -5.28644105
  H      8.30356053      1.57624767      0.83914244
  H      9.12698382      0.36370799     -1.98602304
  O      8.27845741     -0.09753398     -1.93449043
  H      9.56972760      2.43810178      0.65146198
  H     12.76135073     -0.87203341     -2.59510777
  O     12.86407644     -1.49072174     -1.85470409
  H     10.97398322      1.66560473     -1.27530928
  H     13.67874809     -1.96318757     -2.01321193
          69
 Energy    -248.14635065375302     
  O      2.23696947     -0.76432426      5.02747453
  H      1.84711111     -0.85923168      4.14720149
  H     -2.11909029     -0.57496978      4.13521714
  O      2.02286983      1.82762419      6.13886695
  H      2.22260256      0.17012911      5.26659964
  H      1.90142928      1.52075820      1.96256429
  O     -2.70511126     -3.86080990      5.87659917
  H      1.21412351      2.23379419      6.47900152
  H      2.82548441      1.11023306      0.80158740
  O     -1.63349675     -1.70704000      9.56135159
  H      2.48400972      1.50246430      6.92235550
  H     -1.52948720      2.26908192      1.95489731
  O      1.74574115     -5.04705316      5.26202776
  H     -1.84767622     -4.05472768      6.28200348
  H     -1.55567914      1.02272393      2.86255631
  O      0.90555262     -1.18355973      2.63949778
  H     -3.15798262     -3.28424352      6.50176479
  H     -1.98616114      2.42474991      4.57051540
  O      0.46643075     -3.88284987      3.19716155
  H     -1.15940945     -0.87480512      9.43614053
  H     -2.42121301      1.47404574      5.70110745
  O      3.40192018     -2.96062205      6.31419228
  H     -0.94735917     -2.37674754      9.67125389
  H     -0.40211188      3.77890534      7.67575387
  O      2.73578384      0.73622440      8.70200458
  H      1.31308941     -4.65176541      4.48296262
  H     -1.02434425      2.77462093      6.67756458
  O      2.73087675     -2.16421502      8.85089437
  H      2.06373033     -5.90472872      4.99416899
  H      0.48413387      2.35252548      3.34665931
  O      0.56846996     -3.53925001      9.65933877
  H      1.26650201     -0.52106444      2.03328701
  H      1.70001930      2.35006445      4.31089326
  O     -1.84086906     -0.73226368      3.22058862
  H     -0.01699406     -0.95989486      2.81590532
  H     -0.07630972     -2.26790770      6.70412317
  O      1.99663712      0.89713350      1.22222350
  H     -0.49705232     -3.85614942      3.17471160
  H      0.78857905     -1.17103671      6.01432322
  O     -1.34789738      1.97061909      2.84348701
  H      0.75634061     -3.00341610      2.91938745
  H     -2.98987772     -4.05263238      2.75530845
  O     -2.20854725      2.39942065      5.50863897
  H      3.12206747     -2.18671801      5.80533789
  H     -2.53485986     -3.62384339      4.17029021
  O     -0.31569178      2.89266240      7.33539586
  H      2.93627739     -3.71198955      5.92992723
  H      0.01949610     -0.20623307      7.94794604
  O      1.44078112      2.47618017      3.39141811
  H      3.06933735      1.18929439      9.47324250
  H     -0.24500431      1.28708143      8.30118796
  O     -0.00671686     -1.31924372      6.54113712
  H      1.77639749      0.63813044      8.82781953
  H     -2.98358873     -1.90797080      8.45401478
  O     -2.37540782     -3.48939231      3.21812887
  H      2.86072531     -1.21209544      8.82103364
  H     -4.51783178     -1.98036371      8.28876950
  O     -0.00733465      0.43151699      8.68052336
  H      3.03488165     -2.50092486      7.99330276
  H      0.51483731     -4.48710980      6.50366290
  O     -3.70044789     -1.97428591      7.79819187
  H      1.35787859     -3.02329357      9.40987219
  H      0.08946052     -4.04224971      7.94728996
  O     -0.18953199     -4.07812846      7.02363002
  H      0.82391590     -4.09301166     10.39185960
  H     -1.56848753     -0.65767962      6.08581190
  O     -2.46027792     -0.32927627      5.88816038
  H     -2.07078544     -1.65368454      3.04603269
  H     -3.04984630     -0.80441441      6.48394390
          69
 Energy    -248.14619742756742     
  O     10.79392735     10.53042530    -11.94597238
  H     10.34256362     10.06762010    -12.66322687
  H     15.43811497      5.95954996    -18.13548384
  O     13.87290381      7.27808509    -15.21763903
  H     11.56205705     10.95695270    -12.34625437
  H     17.97482661      6.92679112    -15.13085368
  O     17.48057878      8.96227719    -11.11413950
  H     14.29519496      6.89307268    -15.99345671
  H     17.18345662      6.73632742    -16.44504041
  O     17.91672971      9.62819804    -17.04841977
  H     14.49525808      7.94764652    -14.88453917
  H     15.11852728     13.57909374    -15.21573232
  O     12.14875771      9.44378727    -15.27424214
  H     17.20526646      8.23066637    -10.54333258
  H     15.79881494     12.20458591    -15.02013520
  O     16.21449388      6.82062463     -9.88637615
  H     16.66979581      9.46407237    -11.28364615
  H     16.17569016      9.75021998    -14.59891234
  O     13.41419005      6.13371315    -12.72639216
  H     18.11112959      8.73851589    -16.71891574
  H     15.36215440      9.34717200    -13.34256929
  O     14.93433638      9.99489116    -11.73083622
  H     17.15030988      9.53001693    -17.62352859
  H     10.93341681      9.34612267    -10.66960876
  O     15.45068542      9.16029901    -18.49735703
  H     12.65188464      8.61732651    -15.29397797
  H     10.47939406      8.79049160     -9.29716925
  O     15.96891068      5.04998996    -12.20107507
  H     11.26716765      9.23055259    -14.94499609
  H     10.73471812      7.29810876    -11.47327080
  O     17.23466751     11.21215504    -14.96053841
  H     16.18835148      6.08588988    -10.50926007
  H     11.56321309      6.45572168    -12.46883850
  O     15.46125300      6.59738809    -17.42591527
  H     15.31918591      7.18644122     -9.90244134
  H     18.49185962     10.09107332    -12.13587079
  O     18.03943175      7.00388523    -16.09042609
  H     14.21056711      5.62417943    -12.53010865
  H     19.81008944     10.73018590    -12.59591152
  O     14.93665388     12.65112025    -15.09172577
  H     13.52539546      6.47925772    -13.62354105
  H     17.65630780      7.64883817    -12.53773420
  O     15.63303109      9.04785856    -14.22196433
  H     14.27892042     10.55045376    -12.17316415
  H     16.75484647      7.72534920    -13.75629027
  O     11.00872957      8.58725566    -10.06322399
  H     14.45328781      9.30029725    -11.25716312
  H     14.23706205     11.48679017    -16.44912093
  O     10.69134056      6.84529832    -12.32500314
  H     15.39876569      9.47079163    -19.39774653
  H     13.18597661     10.36124722    -16.51161258
  O     18.87987292     10.67827616    -12.80238215
  H     14.88333074      9.74996096    -17.96843885
  H     13.55057216      7.27629844    -11.29935109
  O     17.38057995      7.13675020    -13.30745888
  H     16.41382690      4.21724745    -12.33749167
  H     12.77584004      8.10087590    -10.23433845
  O     13.89256331     10.78684957    -17.01536468
  H     16.50266543      5.72872005    -12.64838056
  H     13.69309601     11.88687688    -13.88966243
  O     13.66055342      7.86269104    -10.53687302
  H     17.58562369     10.74474780    -15.73488579
  H     12.80669164     10.63143688    -14.01888070
  O     13.11459625     11.29924140    -13.38835370
  H     17.85036857     11.09289298    -14.22379659
  H      8.86869828      8.59495573    -14.24960176
  O      9.76475963      8.78050978    -13.98284432
  H     15.45545274      7.47617006    -17.84047080
  H     10.06017513      8.02751413    -13.43947624
          69
 Energy    -248.14619395041791     
  O     10.38651308     10.84804705     -9.54265683
  H     10.65089450     11.41589450    -10.28838413
  H     14.03816948     11.95909168    -15.04692887
  O     12.80243745      8.71632702    -17.23732989
  H      9.54138582     11.16556475     -9.23667642
  H     14.93926590      6.13238432    -12.55465382
  O     11.22369864      8.58756627    -11.06068393
  H     11.88479331      8.49020765    -17.03659057
  H     14.40689584      7.38425541    -13.27161934
  O     13.69928754      8.27144138    -14.68568279
  H     12.79584570      9.65494631    -17.46023014
  H     13.33913057     14.25537964    -10.27733180
  O     13.93492310     13.42137796     -8.64442364
  H     12.14007784      8.52646551    -10.76598264
  H     12.29279158     13.84490722    -11.31935250
  O     12.57154333     11.56683342    -17.69188472
  H     10.81360149      9.25645659    -10.49921812
  H     13.96530406      9.65828450    -10.98478926
  O     11.21196362      9.05557426    -13.75441406
  H     13.54718961      8.31022249    -15.64088531
  H     14.26992949      8.13414730    -11.07041617
  O     13.92886663     11.23891430    -11.85010598
  H     12.85265621      8.51150072    -14.27973082
  H     18.41929218     10.52161621    -13.49717128
  O     13.04354571     10.83801159     -8.54439948
  H     13.61424354     12.50464762     -8.56833453
  H     17.34326596     10.36544575    -12.39815576
  O     16.79951831     13.53078736    -12.55226455
  H     13.93926536     13.78340766     -7.76228026
  H     11.80679147     12.14955688    -14.61395082
  O     11.37922218     12.25354800    -11.64677944
  H     12.87788104     12.05410438    -18.45319943
  H     10.42676177     11.64493682    -15.10417772
  O     13.44146538     12.67978971    -15.30471098
  H     12.90392062     12.03734371    -16.91048780
  H     15.41218362     12.87024700     -9.63375757
  O     14.70381943      7.04581935    -12.41252294
  H     11.14450777      8.85540341    -12.80971451
  H     16.31044565     12.94534489    -10.92911531
  O     13.00642999     14.47639265    -11.15482118
  H     11.13908991     10.01232542    -13.86831528
  H     15.92804931     10.61575553    -14.09423343
  O     14.03395031      8.84701033    -10.45645835
  H     14.29225074     11.07447057    -12.72906323
  H     14.65380603      9.78314716    -14.50001589
  O     17.52666626     10.76506996    -13.26712683
  H     14.61137095     11.67935245    -11.32640159
  H     10.71974437     11.27332424    -17.20909727
  O     10.95781304     11.80117956    -14.31056386
  H     13.45503185     10.08502022     -8.98264310
  H      9.84142089     10.13035953    -16.66879596
  O     15.97046897     12.36300652    -10.23276672
  H     12.10245562     10.79062026     -8.75844163
  H     16.09765551      9.28836403    -10.59555648
  O     15.00043828     10.67447276    -14.35669119
  H     16.01623347     13.85163831    -13.01536570
  H     16.65832031     10.70660469    -10.43088420
  O      9.89316391     11.09178575    -16.74343142
  H     17.05802683     12.69518041    -12.95842784
  H     13.87339740     14.61511545    -12.67689426
  O     16.86639755      9.83015569    -10.79188748
  H     12.27326839     11.87372714    -11.66719653
  H     14.42618467     15.60101131    -13.72631424
  O     14.33238387     14.67078613    -13.53350419
  H     11.04079582     12.18647150    -12.54958719
  H     10.46486199      8.47150080    -15.28067309
  O     10.16223416      8.29571938    -16.18787324
  H     13.70066448     13.44487215    -14.77688655
  H      9.56752753      7.55180082    -16.13884080
          69
 Energy    -248.14618931375253     
  O     16.41316655     10.32813819    -11.59674000
  H     15.61313457      9.96507367    -11.99794081
  H     14.00584916     10.87085627     -6.93013349
  O     15.09396224      6.49870140     -6.24649491
  H     17.12404754      9.68890989    -11.75444449
  H     14.42949868      9.72849533     -8.55738441
  O     16.62072871     12.77163426    -10.38735327
  H     15.25826257      5.89709794     -5.52567388
  H     12.98706565      9.89858731     -9.12538022
  O     12.73125228      7.31131014     -7.60067443
  H     15.43247363      7.36895250     -5.96742922
  H     18.74771389      3.86445100    -12.64397123
  O     14.21444229      8.97360858    -12.62473720
  H     16.30045622     13.47204356    -10.95101648
  H     17.73282467      5.01013452    -12.49316366
  O     18.33572425      8.39324593    -11.84708270
  H     16.50724541     11.94308650    -10.88198298
  H     16.08853071      7.63078219     -8.92087473
  O     20.48791852      9.97263381    -11.01519714
  H     12.94733732      8.24430950     -7.73348127
  H     15.74879802      6.43662295     -8.00263951
  O     18.56821124      6.30473520     -9.99475285
  H     13.45521098      6.94678532     -7.07843177
  H     18.13036754     12.59264065     -7.11171402
  O     11.96235623      6.61264723    -10.09608894
  H     14.34938864      8.15223240    -12.12150977
  H     19.42929044     12.84728886     -6.30301813
  O     16.47578138     12.86243478     -7.50809025
  H     14.18450350      8.72129444    -13.54516729
  H     16.87680493      9.58753224     -8.40447642
  O     12.17034959      9.43426505    -10.67083168
  H     19.12749698      8.93040678    -11.71102681
  H     16.30589089      9.74716880     -9.86210984
  O     14.46618657     11.31144364     -6.19434688
  H     18.39201625      7.67840202    -11.19626603
  H     18.48014927     12.43326784    -10.06696429
  O     13.51285381      9.93256279     -8.31453408
  H     20.10275927     10.76855745    -10.60707069
  H     19.40638898     12.21395415     -8.86056531
  O     18.32468536      4.42162215    -11.99622739
  H     21.33763346     10.22733381    -11.36461849
  H     15.52088378      9.75222978     -5.68624449
  O     16.05242359      6.66183069     -8.88921161
  H     18.57993809      5.55581534    -10.60684156
  H     16.88639525      9.13699476     -6.04889419
  O     19.06107892     12.31998285     -7.00594689
  H     17.71047874      6.30171025     -9.54788825
  H     15.07872442      6.56710939    -10.41147694
  O     16.12404027      9.39877795     -8.98210692
  H     11.19641867      6.04585002    -10.07440968
  H     13.62373024      6.50493998    -10.92065779
  O     19.36017930     12.12597438     -9.82079966
  H     12.20984809      6.78706655     -9.16927214
  H     20.32671930      8.82645042     -9.44857589
  O     16.04919060      8.95099131     -5.60043378
  H     16.35862300     12.80264614     -8.46396030
  H     19.65659975      7.48725366     -9.08438541
  O     14.53604735      6.63633008    -11.20985024
  H     15.76701820     12.35685704     -7.09248024
  H     18.58597080     10.52266009     -7.06060192
  O     20.06400775      8.27700766     -8.70140350
  H     12.77402620      9.43946088    -11.42311771
  H     18.91753153      9.11964702     -7.65460313
  O     18.23289869      9.63714113     -7.20401951
  H     11.94467245      8.50544197    -10.53222238
  H     15.92108022      6.36880837    -12.49471588
  O     16.68395812      6.37420889    -13.08753150
  H     13.79108978     11.67684848     -5.62788891
  H     17.22216678      7.13518084    -12.83342139
          69
 Energy    -248.14614222081573     
  O     12.39886865      8.34054217    -15.07080996
  H     12.69026521      7.74891480    -15.77679593
  H     15.34937693     10.00484116    -17.08247632
  O     16.29488260      6.45807356    -12.69707119
  H     12.51821620      9.25800287    -15.35264339
  H     14.17219935      8.22931391    -14.32484138
  O     16.84153101     11.07613140    -12.00292503
  H     17.01617327      7.06846939    -12.48980751
  H     15.48887823      7.74956764    -13.63327783
  O     17.73112604     11.95414736    -16.54009289
  H     15.69432690      6.47380782    -11.93687408
  H     11.50049140      8.09040805    -13.57503997
  O     14.40716608      9.84676348     -8.70708083
  H     15.94185755     11.14255235    -12.34936826
  H     10.16125842      8.04349135    -12.80055236
  O     14.43412361      6.77629562    -10.66226489
  H     16.79878944     11.23511214    -11.05147362
  H     18.04159441      8.47560333    -10.25920369
  O     14.30746765     10.83731428    -13.10593360
  H     18.18749770     12.67727544    -16.96214328
  H     17.59964740      9.53819652     -9.23354911
  O     15.70455508      7.32829861     -8.23687163
  H     18.04079302     11.93065600    -15.61718744
  H     13.19188739      5.77338629    -11.66609034
  O     18.46285315      9.17053336    -16.62194622
  H     14.72519324      8.98085980     -8.42203938
  H     11.95432026      6.23122001    -12.44422960
  O     14.37524175      5.24965040    -14.46312890
  H     13.83972199      9.68797536     -9.47297909
  H     19.19711388     10.85348553    -14.03385514
  O     19.81507781      9.03085827    -14.27261104
  H     14.83738513      6.83405923     -9.78770217
  H     18.06366274     11.58364935    -13.28700416
  O     15.13342702     10.94254662    -16.99170518
  H     14.02698711      7.63617927    -10.83767985
  H     17.58670044      9.37313509    -12.13030196
  O     15.08615274      8.47370354    -14.12988749
  H     14.70824154     10.02068991    -13.45266643
  H     18.73820638      8.61481727    -12.83068839
  O     11.10621218      7.96940393    -12.69394720
  H     13.75832090     11.16369178    -13.82569942
  H     16.79252734     11.94405636     -8.58714584
  O     17.83283441      8.60603761     -9.32492364
  H     15.95465380      6.83445999     -7.46117591
  H     15.82510336     10.81190878     -9.01149211
  O     12.57869356      5.50197219    -12.36300623
  H     16.52065034      7.71723621     -8.60096388
  H     15.70898817      8.37246525    -15.82679138
  O     18.68665415     11.67203569    -14.02092480
  H     17.62971765      8.70915019    -16.78271329
  H     15.15994746      7.56258887    -17.00509139
  O     18.06945584      8.53442366    -12.13888023
  H     18.26564747     10.10914160    -16.73127010
  H     13.48879727      9.85095186    -11.76572506
  O     16.67556523     11.23958935     -9.21853005
  H     15.18346942      5.47265219    -13.98779094
  H     12.32937130      8.84295220    -11.56553670
  O     15.81937110      8.22713219    -16.77970072
  H     13.67953463      5.22754845    -13.78894054
  H     12.28815703     11.74457634    -15.94937915
  O     13.10785763      9.22188853    -11.13846793
  H     20.71322536      8.76072181    -14.44405616
  H     13.67928496     11.08635769    -16.10867419
  O     12.86280254     11.08283561    -15.57474120
  H     19.34523071      8.99503578    -15.12497666
  H     13.28574149      5.77820311    -17.37096013
  O     13.60616047      6.43052504    -16.75449896
  H     15.97386494     11.39131853    -16.83754285
  H     13.90658488      5.94452023    -15.96258024
          69
 Energy    -248.14603711480669     
  O     14.48811406      9.60375232    -15.10875046
  H     14.99024949      9.65039418    -15.92996955
  H     19.97339766      5.33716103    -16.93576680
  O     13.66081410      3.32963769    -16.16810476
  H     15.01857389      9.06650043    -14.50546427
  H     17.55614541      8.73025588    -16.93249766
  O     17.98162713      6.54690689    -12.39940192
  H     13.59615870      4.26910697    -16.41855065
  H     18.62045268      8.14260352    -15.91764788
  O     19.16645339      5.95163438    -18.31394857
  H     12.83091457      2.92323592    -16.40519198
  H     16.97827438      6.72337670    -16.26185226
  O     16.75030340      5.03084087    -19.47945098
  H     17.19127075      7.01674410    -12.71217214
  H     16.86002214      5.25873210    -15.76382667
  O     14.08064344      5.95532367     -9.89708816
  H     18.69296439      6.80674132    -12.99429207
  H     13.05313646      8.42384681    -15.04483416
  O     14.39086283      3.85737301    -13.47417962
  H     18.39939596      5.59480686    -18.77768263
  H     12.63988048      7.26172203    -14.11154679
  O     15.76801202      7.59626464    -13.55925340
  H     18.87439507      6.78937504    -17.92512714
  H     15.88840512      2.91092311    -10.43712383
  O     17.88740897      3.70748177    -15.58330620
  H     16.67153898      4.64668640    -20.34924105
  H     17.09000921      2.13389095     -9.84448591
  O     14.19260919      3.21348171    -10.72936512
  H     16.48508516      4.33980621    -18.84702948
  H     13.24134522      6.55846513    -16.15985179
  O     16.10998285      3.12987434    -17.64444590
  H     13.79135644      6.38963727     -9.09911336
  H     14.69428334      6.03564140    -16.40789874
  O     20.33866210      5.06205205    -16.07335879
  H     15.05408980      5.96135764     -9.88321589
  H     20.04043556      6.52187833    -14.97805284
  O     18.20353823      8.02905050    -16.77702328
  H     14.16786121      3.59061359    -14.37345483
  H     20.65870560      7.74542156    -14.27148224
  O     16.39770740      6.10400039    -15.80200045
  H     15.35413040      3.88720718    -13.39993631
  H     17.17139720      3.45796459    -12.11143613
  O     12.49141725      7.63664046    -14.98836132
  H     15.95784202      7.06354571    -14.34635290
  H     17.46746640      4.83107825    -12.77177954
  O     16.86078848      2.89371730    -10.37176452
  H     14.94942922      7.24539739    -13.18112525
  H     17.31103307      6.11295037    -10.67730297
  O     13.77767428      5.97416639    -16.71776068
  H     18.77448399      4.06711555    -15.69723780
  H     16.95420504      4.78998319     -9.96923228
  O     19.82885009      7.30595112    -14.44711764
  H     17.71491713      3.64492498    -14.63237434
  H     14.50469331      6.88918405    -18.18515009
  O     17.18179887      3.92481683    -12.95594332
  H     14.00019880      4.08679032    -10.36479831
  H     15.72620067      6.59707285    -19.07061051
  O     16.80314236      5.74298443     -9.94393303
  H     14.10373374      3.30405027    -11.68803081
  H     13.56236403      6.30744323    -11.66129017
  O     15.16081545      7.31218958    -18.75565717
  H     16.78255400      3.17051873    -16.95017209
  H     13.71306307      5.48155895    -12.96271360
  O     13.47309321      6.35530242    -12.62089242
  H     15.26193378      3.08431044    -17.18819257
  H     15.70090615      8.80162883    -18.02966670
  O     16.04323784      9.57745949    -17.54861157
  H     21.14712658      4.58930874    -16.25278637
  H     15.92035205     10.33088727    -18.12026408
          69
 Energy    -248.14593068451398     
  O     12.49124750     10.95838839    -15.36979744
  H     13.08712437     11.62959779    -15.69337078
  H     15.11143633      5.53810793    -14.27919039
  O     15.40882833      6.45874782    -12.72950385
  H     12.75053896     10.13410192    -15.81386073
  H     17.55763832      9.51347001    -16.59081426
  O     17.90041765     10.26524620    -11.72586710
  H     14.78411762      6.76856362    -12.05993653
  H     17.04348476     10.95369835    -16.59999020
  O     17.24450079     12.28584710    -15.16422508
  H     16.29222578      6.74497892    -12.46175117
  H     14.63778014      8.66606811    -15.07609147
  O     12.22407515      6.21740558    -15.39291375
  H     17.85753978     10.39639727    -10.77117809
  H     15.20928708      7.92782834    -13.82411352
  O     14.92367091     10.16890724     -8.77161282
  H     17.08510425     10.61398559    -12.11282835
  H     10.56293395     10.79084215    -12.88265362
  O     13.61679571      7.60032035    -10.97454500
  H     17.60485410     13.14178572    -15.38167628
  H     11.78124583     10.61459740    -13.81958945
  O     15.64997420     11.11833636    -13.14201420
  H     17.99240625     11.73924845    -14.86055075
  H     17.70716780      7.31924755    -10.34516322
  O     16.97861710      6.04651043    -16.77745316
  H     11.45377405      5.71308510    -15.64059126
  H     17.63935046      8.39079350     -9.23603043
  O     14.86743441      7.30421757     -8.50508287
  H     12.02268207      6.63579405    -14.53623632
  H     11.52985615      8.45044639    -13.07105096
  O     17.89658880      8.13454741    -15.15376501
  H     14.42477895     10.35317454     -9.57869057
  H     12.29876673      7.37812914    -12.28763096
  O     14.92161271      5.28512922    -15.19387770
  H     14.77235645      9.23842325     -8.56404006
  H     18.90142020     10.50332788    -13.28300154
  O     17.10243655     10.15982547    -17.14233629
  H     13.93191120      7.40496182    -10.08354724
  H     18.91531676      9.68123763    -14.58372756
  O     15.29116934      8.72162800    -14.36789827
  H     13.68802414      8.55831760    -11.09322741
  H     17.92155692      8.49101735    -12.05252900
  O     11.41089616     10.36030227    -12.95587486
  H     16.08793268     11.67571369    -13.79599476
  H     18.15408729      7.52241531    -13.21911963
  O     17.41784484      7.47258869     -9.43862961
  H     15.47244001     10.27289738    -13.58742104
  H     17.99546040     10.79684708     -8.23591553
  O     11.73829009      7.50886849    -13.06315933
  H     17.34021577      5.28337959    -17.21998237
  H     16.65025780     10.33927513     -8.85423285
  O     19.12520431     10.55168922    -14.22313521
  H     16.23519368      5.72893741    -16.23290098
  H     15.97877069      8.91704093    -17.90344682
  O     17.93945945      7.54848273    -12.28074468
  H     14.81324976      6.70945047     -7.76223861
  H     15.95657574      7.38187350    -17.76566530
  O     17.61829116     10.30354785     -8.95890064
  H     15.78704941      7.27438853     -8.82509765
  H     14.36689576     10.75070985    -11.89913999
  O     15.43601458      8.13266504    -18.07330326
  H     17.00646702      8.41780351    -14.88910971
  H     12.85311265     10.45665253    -11.77776257
  O     13.69299586     10.39110987    -11.30556663
  H     17.76303646      7.37090388    -15.73060545
  H     14.01410097      8.40226810    -17.08607647
  O     13.36025848      8.57675673    -16.39109472
  H     13.99268362      5.50157557    -15.33385314
  H     12.91745373      7.74817581    -16.17214195
          69
 Energy    -248.14584669114566     
  O     13.86623007     12.06943725    -15.48655636
  H     14.27082807     11.28908972    -15.07865747
  H     20.40227827      8.01684923    -13.68281454
  O     18.73567605      7.70768923    -10.44381428
  H     14.58953091     12.55029461    -15.91637081
  H     18.08475922     14.50618738    -13.95656832
  O     16.22193747     10.56382874    -12.04323488
  H     18.93548029      7.50771822     -9.53256769
  H     16.91793314     13.60579514    -13.48951562
  O     12.61040197      9.87549995    -16.75299757
  H     17.77442756      7.84167937    -10.49420182
  H     14.60213709      8.47881314    -18.81332406
  O     15.83539626      6.46447286    -13.27885258
  H     16.23894148      9.76781200    -11.50167753
  H     13.99966670      9.16272648    -17.56533370
  O     13.12796921      6.45026539    -12.82293040
  H     15.66981835     10.34113096    -12.81016860
  H     15.28960208      9.17619018    -14.73084678
  O     18.46847720      5.95505026    -12.73160556
  H     12.90314156     10.75028607    -16.46239295
  H     13.87785359      9.42249009    -14.14814394
  O     12.81978566     12.95313059    -13.16011759
  H     12.30022226      9.42546664    -15.95743430
  H     16.27147666     10.08737530    -17.74873497
  O     18.49496307      9.16714078    -15.61921016
  H     16.72318777      6.12379450    -13.09387788
  H     17.61565881     10.17826519    -16.99927214
  O     16.05726779      8.01817536    -10.91643052
  H     15.88769159      6.89192151    -14.14591506
  H     13.15580581      7.69628286    -11.34947242
  O     16.13715762     13.12679080    -16.50757866
  H     14.08362277      6.37950506    -12.98864291
  H     12.94292531      9.19560710    -11.06861184
  O     20.31866048      7.38169606    -14.41819015
  H     12.79611828      5.55783969    -12.76212563
  H     19.77253531      8.76992563    -11.64945844
  O     17.66146204     13.66621396    -14.11513652
  H     18.66627168      6.42108121    -11.91034552
  H     19.75014396      9.91157144    -12.70124738
  O     14.81502196      8.78132199    -17.93442220
  H     19.07868666      6.31640098    -13.38620994
  H     15.82820025     12.35892358    -12.06300293
  O     14.76764654      9.79368608    -14.20262498
  H     12.34906762     13.77554332    -13.27232094
  H     14.67187240     13.24598283    -12.55304119
  O     16.99362434     10.68787851    -17.53260225
  H     13.14635308     12.69746938    -14.04184542
  H     17.74243642     10.82854707    -12.96826997
  O     13.34890484      8.39723518    -10.71335576
  H     19.16437004      8.52241448    -15.35995251
  H     18.38006807     11.94990067    -13.81152934
  O     20.26824785      9.16147293    -12.37946460
  H     18.49340496      9.85180332    -14.93432827
  H     12.39253163      7.90224780    -13.74968927
  O     15.61167013     13.25917191    -12.34686049
  H     16.01587686      7.52344327    -11.74701162
  H     11.91406108      9.34468041    -13.41021186
  O     18.49557296     11.03096815    -13.54229625
  H     15.13878937      8.17505949    -10.65405284
  H     11.12198317     10.81986211    -11.47619411
  O     12.17259022      8.76065893    -14.13575286
  H     16.72434242     13.34330028    -15.77486367
  H     12.24410502     11.41708975    -12.34699692
  O     11.89304406     10.58673744    -11.98966462
  H     16.49977603     12.33176897    -16.92776311
  H     15.66018063      8.02312185    -16.49121636
  O     16.09274559      7.84503683    -15.64621470
  H     21.20297510      7.11512685    -14.65489514
  H     16.97299252      8.24966905    -15.67373972
          69
 Energy    -248.14562794171007     
  O     -7.80861378     -2.96814560      6.12472318
  H     -8.49182814     -2.28711617      6.15709889
  H     -2.48800621      1.36668423      3.05201122
  O     -9.84409671     -3.13905514      2.04059626
  H     -6.99896927     -2.55613639      6.45083022
  H     -8.14785267      0.04910503      3.14655833
  O     -7.78704093     -4.23023523      3.71624704
  H     -9.20215582     -3.54889401      2.63239009
  H     -6.98188761     -0.97044603      3.40338965
  O     -5.13187770      1.04632545      1.35256841
  H    -10.41773599     -2.59656725      2.59510191
  H     -4.85010235     -1.91273295      7.65543769
  O     -6.50198083      0.81325836      6.11553210
  H     -7.80349441     -3.82785960      4.60259383
  H     -4.87418313     -1.63133725      6.13227907
  O     -5.04846871      5.05818394      1.57679397
  H     -7.71880073     -5.17300968      3.84375482
  H     -0.61233391      3.14911686      2.55932971
  O     -9.52791927     -0.76456887      5.63969037
  H     -5.80382363      1.57604915      1.80114269
  H     -2.04561667      3.56269014      2.97173089
  O     -4.06498750     -1.56992800      4.62718054
  H     -5.55288024      0.29365479      0.92182963
  H     -8.26578063      2.95384841      3.48888423
  O     -3.50722501      3.13885373      0.41573044
  H     -6.12372760      0.04331572      6.55790210
  H     -9.14376711      2.58529902      4.71408024
  O    -11.33611952     -1.24168697      3.62630983
  H     -6.78398969      0.50572127      5.23807337
  H    -10.35704608      0.08138256      2.62541797
  O     -6.15976601     -1.29110456      0.15170433
  H     -4.49724852      4.43671795      1.06781716
  H     -9.62181978      1.45703860      2.70345772
  O     -3.19418885      0.76684396      3.32159406
  H     -5.24623674      5.79021610      0.99928104
  H     -5.99748873     -2.13736960      1.79733177
  O     -7.50920893     -0.26630522      3.79924237
  H     -9.54580101      0.09016133      6.08596441
  H     -6.55837314     -3.07780518      2.92876361
  O     -5.41469393     -1.62133278      6.94493421
  H     -8.81243317     -0.69498629      4.98632979
  H     -9.12775035     -0.45121815      0.80301654
  O     -1.52792867      2.89400935      2.48785116
  H     -4.64363934     -1.92482379      3.93782755
  H     -9.17170233     -1.98669998      0.79737597
  O     -9.17795185      2.80225940      3.77657885
  H     -3.62990686     -0.80141662      4.23752131
  H     -8.06343446      1.57413171      6.51887286
  O     -9.66291436      0.61671608      2.22206350
  H     -4.05246171      2.35760614      0.58540307
  H     -9.06623800      2.43938758      7.31723176
  O     -5.96105302     -2.34243352      2.74000296
  H     -2.72396984      3.03670822      0.97019855
  H     -3.72671058      4.01617142      4.32775542
  O     -8.80718700     -1.22556034      0.32216316
  H    -10.80709941     -1.11729093      4.43137478
  H     -3.84447177      4.93195934      3.09272444
  O     -8.98994755      1.86786252      6.55736976
  H    -12.25176345     -1.24793371      3.89367903
  H     -4.11998483      1.87254203      4.45473887
  O     -3.22179606      4.61299527      3.75766860
  H     -7.13509817     -1.26302079      0.14156239
  H     -5.25261614      1.99907094      5.50309971
  O     -4.67216444      2.51249899      4.92762643
  H     -5.87974843     -1.57677665     -0.71318463
  H     -6.16262454      3.78975469      2.40051798
  O     -6.51549757      3.02472551      2.87307153
  H     -3.84759334      0.77057488      2.60546789
  H     -5.91911814      2.87374418      3.61980009
          69
 Energy    -248.14539023100605     
  O     10.76624291     10.15232951    -11.93571661
  H     11.46494428     10.69475711    -12.32197139
  H     15.02071758     13.49487140    -15.23554524
  O     13.65833780      7.51117358    -15.17856788
  H     10.30252190      9.74532146    -12.67859153
  H     16.15924716      9.58891796    -14.42119021
  O     17.22310923      9.92492746    -10.09262743
  H     12.99372929      8.20809902    -15.23840325
  H     15.05980502      8.47078231    -14.48755221
  O     18.90989976      9.60176904    -16.33892646
  H     13.45674240      6.95401365    -14.41504665
  H     10.66221547      8.14232894     -9.48376575
  O     12.00556932      9.70465632    -15.31211792
  H     17.09512814      8.95936582    -10.10421266
  H     11.06488633      8.85886990    -10.79470219
  O     13.48013822      5.83982404    -12.97292322
  H     17.42179315     10.16754877     -9.19238025
  H     16.83362241      7.60912599    -13.36014813
  O     14.85102876     10.02102000    -11.63825823
  H     19.41349051      9.89682849    -17.09230041
  H     18.33620658      7.28005453    -13.32511335
  O     16.57230336      8.72438247    -17.18510097
  H     18.07626234      9.22921084    -16.68834531
  H     11.61646112      6.13803795    -12.84086782
  O     15.98058996      4.78829755    -13.85937913
  H     12.33097116     10.26420677    -14.59248721
  H     10.83319201      6.93577671    -11.78423089
  O     17.19451456     11.20611152    -14.72429394
  H     11.14628561      9.36577767    -15.03167569
  H     19.05334698      9.83408373    -12.80030042
  O     15.68648047      6.18235148    -16.46944623
  H     14.27786801      5.36455306    -13.23519851
  H     18.20144235     10.38618664    -11.62763048
  O     14.85732960     12.58472090    -15.00084017
  H     13.70295356      6.38238710    -12.20216451
  H     19.46108885      8.77625889    -14.81460885
  O     15.74133991      8.87171713    -13.93215071
  H     15.19417611      9.61857381    -12.45363415
  H     20.65421166      8.19659552    -14.02459558
  O     11.20444298      8.05439136    -10.26287301
  H     15.60905509     10.16740780    -11.06123216
  H     17.02036275      7.05590279    -11.23145110
  O     17.47428928      6.94913089    -13.04941467
  H     15.77191252      9.26601249    -17.16215984
  H     15.73497689      7.19843065    -10.38107971
  O     10.76065356      6.54984835    -12.66633081
  H     16.31591663      7.80741319    -17.01538015
  H     13.47165321     10.11860964    -16.54913487
  O     18.60455364     10.62188524    -12.47226419
  H     16.58658201      5.48539548    -13.55761648
  H     14.50739031     11.22303618    -16.36019043
  O     19.72107371      8.38706562    -13.96351272
  H     16.40810165      3.95550622    -13.67434054
  H     14.18283669      8.42198026    -11.07645352
  O     16.69762933      7.27675630    -10.34747825
  H     17.65549978     11.12721944    -13.87389207
  H     13.00313835      7.63346379    -10.47611211
  O     14.34061012     10.40992038    -16.84992464
  H     17.78014283     10.82318478    -15.38667632
  H     13.56475086     11.87958366    -13.80881441
  O     13.90819840      7.53640507    -10.79764192
  H     14.86462997      6.60653236    -16.17708300
  H     13.61399202     10.92939626    -12.59483121
  O     13.01168268     11.33201793    -13.23768566
  H     15.90511131      5.57905044    -15.75374049
  H     10.06800543      7.81070116    -13.66460874
  O      9.72342133      8.60398261    -14.11280772
  H     15.72758773     12.16842359    -14.87462056
  H      8.84373023      8.39113547    -14.41187125
          69
 Energy    -248.14534044698348     
  O     13.42816995     11.24732740    -13.75829853
  H     14.09106807     11.91394498    -13.53795512
  H     14.57409822      6.70554103    -17.19577853
  O     14.89611470      6.25625917    -14.09625879
  H     13.67538758     10.93747302    -14.63907728
  H     20.17336394      5.65580932    -14.87477647
  O     18.30045526      8.18031602    -11.42446207
  H     14.51520160      6.10395858    -14.97078181
  H     19.74371623      7.04063026    -14.32585924
  O     19.10352503     10.46181071    -15.63049571
  H     14.19148878      6.54095033    -13.49614435
  H     16.46990636     12.29553699    -14.95450896
  O     12.36658271      8.54641435    -16.53835432
  H     18.08873541      8.04857175    -10.49212955
  H     15.96425858     11.40887101    -16.10508118
  O     14.70471631      8.36988245     -9.10446789
  H     17.92757738      7.42377902    -11.90051095
  H     15.65749400      7.84563133    -14.39526794
  O     13.13441985      7.29221246    -12.25490669
  H     19.77043278     11.01169337    -16.03519704
  H     16.82062711      8.41781095    -15.24613319
  O     16.82091843     10.22743254    -12.49639040
  H     18.27517636     10.97115243    -15.66065807
  H     16.75929603      5.98507537     -9.70865940
  O     15.64336249      7.93514815    -17.87709497
  H     12.72178647      7.65315368    -16.59128404
  H     16.71397186      5.36921304    -11.12173484
  O     13.66627384      5.82170141     -9.92957887
  H     11.94515617      8.62565007    -15.66912581
  H     11.95344719      9.82264270    -13.75644591
  O     18.09135962      7.99461700    -16.50258504
  H     14.46337269      8.96068464     -9.82927447
  H     11.94006054      8.33780689    -13.32902839
  O     13.95749138      6.11633506    -16.72600420
  H     14.23094243      7.54450777     -9.26728498
  H     19.55438726      8.58696081    -12.77321993
  O     19.41747312      6.22259359    -14.74495659
  H     13.17118472      6.71833780    -11.47955296
  H     19.70787709      9.33280493    -14.13128622
  O     16.75322905     11.84636500    -15.76012337
  H     13.55640939      8.12467678    -11.99522675
  H     16.48379480      5.94513235    -13.27693636
  O     16.12703635      8.65957160    -14.61950702
  H     16.58371630      9.74715742    -13.30630251
  H     18.02142402      5.86879983    -13.48612611
  O     16.31950284      5.31166909    -10.24184399
  H     17.40421944      9.63484251    -12.00630991
  H     16.39281757      7.96895033     -8.90056084
  O     11.53086040      8.97429720    -13.92922763
  H     16.55373269      7.91434736    -17.55092079
  H     17.60481070      7.73946549     -7.96543789
  O     20.04180994      8.59473981    -13.60794664
  H     15.29497471      8.79956592    -17.63741726
  H     13.80226608     10.27182909    -12.20678046
  O     17.33315220      5.91717060    -12.81261785
  H     14.59307032      5.55280250    -10.06222301
  H     15.19372643      9.84198035    -11.74310891
  O     17.31054521      7.64378840     -8.86709096
  H     13.23954231      5.11753900     -9.44918964
  H     16.07377508     13.39189337    -12.58743890
  O     14.25411782      9.73641633    -11.54194821
  H     18.55238733      8.82646578    -16.32569362
  H     16.26424866     11.87969823    -12.85681673
  O     15.84060541     12.69021546    -13.18982438
  H     18.55988246      7.29647850    -16.02768757
  H     13.68934168      9.69796461    -16.43989486
  O     14.49824131     10.19485040    -16.23645094
  H     13.71742328      5.42587501    -17.33869346
  H     15.03005634      9.63658847    -15.64683943
          69
 Energy    -248.14530286016486     
  O     13.73329190      5.71765602    -16.18612242
  H     13.68996874      6.67409339    -16.32544075
  H     19.86744674      6.85173338    -17.27007855
  O     18.54859480      7.05028190    -12.30477789
  H     13.88113474      5.59426263    -15.23946106
  H     17.59891352      8.94004452    -16.54256825
  O     19.26702422      7.67798546    -18.87096950
  H     19.31086035      7.28048790    -12.84828529
  H     18.56578989      9.00497858    -17.75720959
  O     16.64963370      7.09220583    -19.27939976
  H     17.89305265      7.75187484    -12.44827129
  H     15.70188642      8.01975962    -15.76733282
  O     14.59611340      7.13988162     -9.75403517
  H     19.72698161      7.71451651    -19.70507236
  H     16.67921258      8.25607321    -14.57844808
  O     14.42263095      5.60045214    -13.45678493
  H     18.35585542      7.39165591    -19.06467430
  H     13.30847647      9.26103697    -13.52171379
  O     16.66003582      8.90293008    -12.90763058
  H     16.20546415      6.33493933    -18.87749833
  H     12.26340533     10.29782585    -13.96242913
  O     17.45119677      5.32872729    -16.01949726
  H     16.12235091      7.87275954    -19.07759468
  H     16.81438273      3.91727348    -11.87652003
  O     13.90814517      4.57781649    -10.94564798
  H     15.53008787      6.86918715     -9.81050167
  H     17.00350233      2.70972154    -10.92985708
  O     19.44101260     10.40126788    -14.86262737
  H     14.44734321      7.41967092     -8.85480576
  H     14.40817303      9.01060004    -17.14355901
  O     15.50738482      4.82742992    -17.99196852
  H     15.36820713      5.40591983    -13.47562283
  H     13.65935875      9.02922330    -15.75701205
  O     19.97150701      6.45319465    -16.39828456
  H     14.07739698      5.16541586    -12.66324723
  H     21.49573855      7.78398639    -13.99378441
  O     18.02308089      9.54751245    -17.17079603
  H     15.74243457      8.77924517    -12.63896498
  H     20.37493961      7.33419974    -14.95709633
  O     16.61284107      7.89046244    -15.47078929
  H     16.87861201      9.84623769    -12.91238542
  H     17.68295343      5.60952707    -12.98051817
  O     13.01832027      9.80379063    -14.27195021
  H     16.87177332      5.00787334    -16.71936423
  H     17.31803391      4.84890902    -14.28642012
  O     16.59547786      3.56907000    -10.99451974
  H     17.16414031      6.23674033    -15.82548384
  H     17.74731846      6.53393233    -10.66473617
  O     14.05810183      8.46125186    -16.43278970
  H     14.01085843      5.39407473    -10.44119841
  H     17.03152368      5.25541522    -10.18716295
  O     20.55490537      7.83789156    -14.14330648
  H     14.75031996      4.11184051    -10.86066658
  H     16.44056497      9.79588974    -18.03096984
  O     17.16811942      4.86843496    -13.33209728
  H     19.03109120     10.23773153    -15.72140219
  H     15.47508231     10.45310285    -19.04164074
  O     17.13707426      6.19608014     -9.99672455
  H     19.84480391      9.56724303    -14.59423472
  H     14.13726393      7.27905200    -12.80697150
  O     15.57729280      9.69891521    -18.46648821
  H     15.17898871      4.04684752    -18.42918600
  H     14.14003306      7.89458747    -11.38925285
  O     14.05512817      8.11619205    -12.32525876
  H     14.82050038      5.10475094    -17.35754051
  H     18.29812384     11.15618882    -13.74601964
  O     17.59507012     11.44229413    -13.13651757
  H     19.17714352      5.91697311    -16.26860685
  H     17.86323660     12.29329263    -12.80263916
          69
 Energy    -248.14504380358122     
  O     15.32225367     11.31910006    -10.28744976
  H     15.95648265     11.35912061    -11.01836539
  H     16.42463000      2.64697669    -15.12138907
  O     15.13676492      7.79937642    -15.14361129
  H     15.62101108     10.60050970     -9.72096690
  H     19.65109490      8.23825709     -9.29999547
  O     14.35227678      5.19553760    -11.68916629
  H     14.30052459      8.27883713    -15.06759799
  H     19.14114289      9.06259858    -10.50639502
  O     18.37054923      6.77742462    -12.14909309
  H     14.91686093      6.86858522    -15.00484175
  H     15.81763798      8.21505687    -13.53663997
  O     16.29319909     11.81817532    -15.08109755
  H     14.40519019      6.04290178    -11.22984766
  H     16.90144924      7.79111220    -12.50084676
  O     10.74464022      6.52755625    -12.43096138
  H     13.50977817      4.79278800    -11.43176057
  H     13.77519723     11.49554167    -11.06173335
  O     12.60807391      8.85838919    -14.64340739
  H     18.59825744      7.20093149    -11.31284165
  H     12.46407974     12.30665657    -11.18640464
  O     14.51866735      7.77456776    -10.60892242
  H     18.87463353      7.22050304    -12.84650039
  H     13.47931161     11.55361767    -13.40390110
  O     19.57233323      8.34983867    -14.15138080
  H     16.34106146     12.61359341    -15.60425602
  H     13.27446672     10.59959754    -14.59462044
  O     11.65477088      6.25777981    -15.15149156
  H     15.35349793     11.68607907    -14.85830007
  H     16.07157273      4.56094490    -12.07384202
  O     17.48443688      9.26424006    -15.63403935
  H     10.93525505      6.42160320    -13.37074515
  H     17.48973357      5.12088904    -12.33351657
  O     16.18554419      3.55609620    -14.96397067
  H     11.14401025      7.36745786    -12.17012468
  H     14.16068156      5.28185032    -13.50666723
  O     18.87701676      8.41109960     -9.83044070
  H     12.16474913      8.06483421    -14.96706380
  H     14.77005196      4.62886054    -14.77637170
  O     16.17070147      8.40346277    -12.65719942
  H     12.50691981      8.84427939    -13.67958464
  H     11.35629695      5.12079318    -11.53440317
  O     12.94416206     11.57390224    -11.56318868
  H     14.99460402      8.09938556     -9.83830808
  H     11.13926976      3.90186441    -10.62021614
  O     13.73429442     11.40430681    -14.32221906
  H     15.05942584      8.04177284    -11.37104463
  H     18.70415571     10.56874890    -12.04440254
  O     16.93312564      4.34239639    -12.45568996
  H     20.27158823      8.12646834    -14.76000905
  H     19.67794091      9.55509543    -12.66578937
  O     14.12390480      5.28295084    -14.47387907
  H     18.83311222      8.68297531    -14.69109689
  H     12.37393492      9.80124711    -11.71333295
  O     11.81010273      4.37778421    -11.10108069
  H     12.51033501      5.83837326    -14.95359086
  H     12.99677715      8.43379739    -11.35705945
  O     19.50797182     10.06081153    -11.86148363
  H     11.26024123      5.75682912    -15.86034533
  H     16.40471204      9.02282005     -7.85076207
  O     12.28930506      8.85212801    -11.86780854
  H     17.14272080     10.16019084    -15.52864930
  H     17.20415365      8.80240530     -9.15099805
  O     16.32687044      9.02364321     -8.80235553
  H     16.70701747      8.68955653    -15.64006353
  H     16.69504953     10.12447301    -12.55502247
  O     16.99560550     11.04441076    -12.48094980
  H     16.54564411      3.77973845    -14.08714151
  H     16.83166925     11.45071880    -13.33991352
          69
 Energy    -248.14498628612802     
  O      9.91777826     11.50229064    -11.30384067
  H     10.62693890     11.65826363    -10.65457743
  H     12.65900182     12.29449779    -10.48164409
  O     14.78310940     10.23139655    -12.77486973
  H      9.09086534     11.58903232    -10.83773551
  H     10.18830320     10.79570513    -18.29888164
  O     17.54341790     12.54450331    -13.96113541
  H     15.70143262     10.37000558    -12.51247825
  H     11.29359567     11.58261206    -17.57227275
  O     15.30318337      6.88443778    -12.51952591
  H     14.39250652      9.57855065    -12.17738813
  H     14.59309092     13.32910971    -13.54330534
  O     11.26790485     12.51348794    -13.56174510
  H     17.71190741     12.03268656    -14.76221988
  H     14.13055531     14.07873802    -14.79336267
  O     12.29894565     14.44377113    -15.25654113
  H     16.75381535     13.06852610    -14.13920133
  H     18.17288219     11.13514530    -17.10354170
  O     15.04409195     11.65048537    -16.44949872
  H     16.18524307      7.26111961    -12.41134020
  H     16.75942702     11.16748643    -16.47858428
  O     13.97378961      9.98966175     -8.92613641
  H     15.18608908      6.77345160    -13.47036963
  H     17.79794433      8.27695895    -14.29889143
  O     13.64337998     12.60699773    -12.08209173
  H     11.33409143     11.70515861    -14.09402268
  H     17.67027613      9.16206170    -15.57098738
  O     14.02586797      9.39939917    -15.25732771
  H     10.67437118     12.30123316    -12.83080404
  H     15.11690756     12.48157370    -10.55749438
  O     17.90009934      8.17787964    -12.40917105
  H     11.84294310     13.81692388    -14.67034900
  H     15.18960797     11.31417804     -9.56084243
  O     12.10202795     11.94516499     -9.77420347
  H     11.80873230     15.26147166    -15.21793810
  H     10.99463945     10.32675290    -15.81332970
  O     10.58307753     10.93186195    -17.44230506
  H     14.64907060     10.83100520    -16.11386459
  H     12.29412470      9.82996733    -15.12087808
  O     14.88762414     13.61078091    -14.41936833
  H     15.00224423     12.30166472    -15.73502599
  H     15.30202481      6.16794769    -16.00807865
  O     17.68442159     10.91815055    -16.31283253
  H     14.06399269      9.47048571     -8.13141913
  H     16.12389140      7.34209962    -15.41644548
  O     17.57718863      8.26144592    -15.23883365
  H     13.81937581      9.36322769     -9.65499444
  H     12.49287490     13.40752172    -16.86746731
  O     15.73026085     11.97018668    -10.02109632
  H     12.81213478     12.65466914    -12.57569068
  H     13.50673922     12.35937012    -17.35430598
  O     11.39243086     10.13713746    -14.95177662
  H     14.02435019     11.73852965    -12.29263741
  H     11.18867091      9.30906595    -13.27832202
  O     15.25397861      6.90115902    -15.40121357
  H     14.32995085      9.67971521    -14.37943380
  H     10.68491091      9.80236564    -11.91909530
  O     12.64582055     12.74747005    -17.55427918
  H     14.34816499      8.50109266    -15.39443609
  H     17.54062064     11.45250782    -12.56255045
  O     11.18959766      9.09523561    -12.33593762
  H     17.78496749      9.10968090    -12.15508475
  H     16.94402682     11.22211469    -11.12960405
  O     17.37394845     10.78541424    -11.87892580
  H     18.66087128      7.85633955    -11.93164479
  H     12.67769264      8.52998613    -11.53072117
  O     13.53548921      8.41193033    -11.09298331
  H     12.63860433     11.27016254     -9.34117871
  H     14.05099197      7.72916710    -11.54750697
          69
 Energy    -248.14492856865354     
  O     -1.04171366      4.85952742      2.42324365
  H     -1.68315157      4.15487765      2.23510439
  H      0.54697193      2.64856739     -2.96776107
  O      4.13550288      6.79694008     -0.18023874
  H     -0.38949197      4.84247846      1.70318314
  H      0.27398763      7.92683123     -1.82251079
  O      1.79029272      7.47000062      1.02169785
  H      3.33299154      7.13554578      0.25440165
  H     -0.03151246      6.57594982     -2.45223228
  O     -0.90380557      5.10699086     -1.77700814
  H      4.73958346      7.53178778     -0.25124682
  H     -3.71812383      1.66705290     -2.16676739
  O      2.57990619      2.82850103     -0.12225634
  H      1.04377994      7.95021561      0.64135270
  H     -2.97502189      1.03766954     -0.98050428
  O      0.77343841      4.92455282      0.36708616
  H      1.56885354      7.25710217      1.94180999
  H      3.45214023      4.47375030      3.00055445
  O     -2.38134044      6.74771797      0.66411766
  H     -1.81979613      5.11852550     -1.47599189
  H      3.60772853      4.37856406      4.53714897
  O     -1.21125128      1.39524610     -0.38725333
  H     -0.33641984      5.07994103     -0.99088479
  H     -4.16225512      4.30254475     -0.62805419
  O     -2.59895385      2.82040349      1.64290626
  H      2.55116847      2.76950827     -1.08524286
  H     -3.55806185      4.34649713     -2.03429998
  O     -0.50193393      8.58764556     -0.12759397
  H      2.11422164      2.06888829      0.24949304
  H     -2.14389531      2.80677344     -3.32536802
  O      1.05033325      0.89276684      1.21883807
  H      1.43690472      4.23740070      0.23332983
  H     -3.25822287      3.08102651     -4.35533316
  O     -0.39835495      2.67834551     -2.78559256
  H      1.22759660      5.76060044      0.53116624
  H      0.09110719      3.35428054      3.10408868
  O      0.56065779      7.33829654     -2.52883408
  H     -2.04896800      6.15341953      1.34791282
  H      1.58160704      3.24823770      3.46649014
  O     -3.85720420      1.15641883     -1.35921224
  H     -2.94503667      6.21731080      0.09079925
  H      2.53587855      4.00271488     -2.80451831
  O      2.96035408      4.45049698      3.84087674
  H     -0.44792619      1.12586300      0.13797372
  H      3.04944842      2.76044021     -3.56945393
  O     -3.62898627      4.85383672     -1.21574854
  H     -0.87004072      1.80475411     -1.19298679
  H      0.21472858      6.03875368      3.31043286
  O     -3.09426314      2.98281939     -3.42028371
  H     -2.11855639      2.34790236      0.95020508
  H      1.69696318      5.85549536      3.69712395
  O      0.81800042      2.72804218      3.18475831
  H     -3.51489070      2.86283674      1.34658441
  H      4.30998891      5.25494820      0.90027683
  O      2.40818646      3.04204912     -2.92253781
  H     -0.88184388      9.45627622     -0.02244128
  H      3.76356686      3.81228701      0.87888336
  O      1.03572684      6.52193618      3.46843645
  H     -1.19416860      7.95320135      0.12692926
  H     -4.74649698      2.22241407     -0.28545295
  O      4.20727155      4.46272568      1.44076689
  H      1.28245140      0.04774850      1.59462247
  H     -5.98161887      2.72304592      0.50549257
  O     -5.07975766      2.93826436      0.28573034
  H      0.94292330      1.51250491      1.96412342
  H      2.06299034      6.30333280     -2.55996038
  O      2.78828499      5.66930002     -2.46232007
  H     -0.56502069      3.58062193     -2.46104800
  H      3.33863583      6.00586412     -1.74719601
          69
 Energy    -248.14489731680101     
  O     -0.83096505     -0.06092839      5.13661348
  H     -0.23851892      0.67272030      4.93195276
  H      2.62234228     -2.41266131      2.67840635
  O     -0.85618417      3.61406987      6.42586167
  H     -0.74658941     -0.72744008      4.44120557
  H      1.20057582      0.98944098      0.32979017
  O     -5.88879167     -0.73068610      1.48797642
  H     -0.59528291      4.19216029      7.13797082
  H      1.96023780      2.22475873     -0.20907374
  O     -4.91760531     -1.48834619      4.00906890
  H     -1.48919909      2.97637741      6.80053969
  H      0.11222229      2.70914349      1.52941529
  O     -2.78828888     -3.17161578      4.92164555
  H     -5.68370806     -1.05283922      2.37709470
  H     -1.39037663      2.44948567      1.76431896
  O     -0.87555940     -2.07585270      3.20196452
  H     -5.84340216      0.23056230      1.52830046
  H     -0.17612606     -0.89499461      0.23894098
  O     -2.63365618     -1.03277166      6.93674672
  H     -4.32676743     -0.72044574      3.93886699
  H      1.19873596     -1.20628959      0.85493394
  O     -2.70861888      1.87425917      7.38790322
  H     -4.34399069     -2.22273857      4.25463780
  H     -1.80351929      4.15581840      4.85939357
  O     -5.44929947      2.34914997      6.73403070
  H     -2.09992187     -2.85727380      4.31285510
  H     -1.71836676      3.98073499      3.32774649
  O     -5.36901128     -0.33373871      6.53617804
  H     -2.70462261     -4.12183673      4.95319536
  H      2.28273574      1.18720344      2.15431572
  O     -1.91074810     -1.15117978      0.79191206
  H     -1.29725771     -1.78072035      2.38144860
  H      1.96874036      1.24511818      3.65524719
  O      1.84294619     -1.87392297      2.57262021
  H      0.07166478     -2.13900333      3.02232380
  H     -3.65760528      1.48373244      4.12211308
  O      1.48607349      1.89488132      0.54946514
  H     -2.78571282     -1.87493894      6.49252944
  H     -2.42646803      0.55032604      4.43381506
  O     -0.62624885      2.93237673      2.11041758
  H     -1.89550567     -0.65130570      6.43493799
  H     -4.75688378     -2.77953597     -0.68576691
  O      0.76681379     -0.69232624      0.16296781
  H     -3.63321827      2.10704859      7.23709885
  H     -4.87413134     -1.74727908      0.44889994
  O     -2.30209806      4.26758537      4.04066963
  H     -2.67575251      0.91250316      7.42282944
  H     -5.03267277      2.91578685      5.01416308
  O      2.45299628      0.73695334      2.99116693
  H     -5.52424936      1.37917583      6.66361081
  H     -3.91963730      3.56352556      4.10457423
  O     -3.21069360      0.66144497      3.88399348
  H     -6.13028141      2.63563242      7.33654180
  H     -6.16847373      2.78665824      1.22536315
  O     -4.24164968     -2.29435184     -0.04773579
  H     -5.47559666     -0.75656676      5.67468242
  H     -5.33387954      2.49584355      2.48995719
  O     -4.71294195      3.00349724      4.10803808
  H     -4.47280951     -0.56964329      6.81022533
  H      0.24184782      2.73752099      5.21486887
  O     -5.54829286      2.16661713      1.60106768
  H     -2.66123331     -1.65160315      0.44083983
  H      0.17042480      2.47238656      3.68416624
  O      0.61162032      2.20042332      4.50316007
  H     -2.20582930     -0.23316122      0.85848885
  H     -2.89108636      1.07404591      2.21916866
  O     -2.81828728      1.42282481      1.31436238
  H      2.10261966     -0.96044844      2.79063847
  H     -3.70203501      1.74657430      1.11052305
          69
 Energy    -248.14458172397954     
  O     13.13158199     10.63853094    -10.40473807
  H     13.56923209     11.14017137    -11.10428820
  H     13.35546816      7.27770238    -17.27789828
  O     13.03276851      7.82062246    -14.24965926
  H     13.71760675      9.90127136    -10.19128471
  H     16.08344530      4.93884096    -17.44328617
  O     19.23188665      9.46196403    -12.20885560
  H     13.05934483      7.39209401    -13.38234613
  H     15.09320377      5.91836980    -16.77408878
  O     16.22083146      8.41412997    -17.89187055
  H     12.59386767      8.67194035    -14.12753207
  H     15.75805792     11.71057720    -15.68030424
  O     12.04230795     10.37248546    -13.74518058
  H     19.91561133      9.63186869    -11.56683599
  H     15.44957511     13.22354623    -15.77416711
  O     16.64126257      6.18460205     -9.94273869
  H     19.00666482      8.51482125    -12.14276852
  H     14.74899381      8.37150505    -14.34182697
  O     13.19412874      6.81947983    -11.69765243
  H     15.29063540      8.57118762    -18.10249952
  H     15.96742208      9.15626030    -14.96122098
  O     16.45907934      9.98082218    -12.06205739
  H     16.27472164      7.50481841    -17.57546861
  H     16.66490694      5.78116687    -15.07178807
  O     13.43610373      8.91262347    -18.23116089
  H     12.84101005     10.79442811    -13.39489527
  H     16.44087309      6.97468901    -14.14080741
  O     15.31375942      5.01229193    -11.97770449
  H     11.41849642     10.32248226    -13.01269732
  H      9.73861430      7.03322632    -11.21817456
  O     16.77786801     10.36604902    -16.09693311
  H     16.79827714      5.58652572     -9.21714460
  H     10.51465812      8.35306353    -11.07768595
  O     13.46857904      6.53456771    -16.67225158
  H     16.16446760      5.67700231    -10.62595195
  H     19.28149859      9.79494934    -14.02209184
  O     16.03829075      5.69736582    -16.86692959
  H     12.28605242      6.91990404    -11.38059085
  H     19.90379147      9.31240401    -15.33855878
  O     15.12134995     12.40062928    -15.42110170
  H     13.75050760      7.42802829    -11.19270011
  H     17.92826417      6.65978446    -11.27200387
  O     15.68658451      8.58137910    -14.23878172
  H     17.42048933      9.95216362    -12.02255196
  H     18.01427109      6.51410021    -12.80767631
  O     16.79467048      6.07204391    -14.16225298
  H     16.19763979      9.43495340    -12.82301151
  H     13.63783448     11.45352266    -16.15317360
  O     10.59196589      7.39186035    -10.98533595
  H     12.94524632      9.13096679    -19.01894685
  H     12.44044458     10.69485191    -15.56550388
  O     19.25580071      9.91706467    -14.98214915
  H     13.23258668      9.60465161    -17.57770524
  H     15.53571925      7.72846740     -9.99248797
  O     18.46058745      6.89754993    -12.04073841
  H     14.48064052      5.50356360    -11.95576179
  H     15.53772255      9.01044161    -10.84867657
  O     12.92522674     10.84658568    -16.38635974
  H     15.76366474      5.26012035    -12.79605260
  H     15.15349304     11.14828704    -12.50384558
  O     14.98041094      8.46651658    -10.27268297
  H     16.66016241      9.73206170    -16.82125395
  H     14.60909294     12.03940547    -13.63728023
  O     14.37168617     11.64396954    -12.78922461
  H     17.67414164     10.26561291    -15.74615698
  H     10.03208718     10.84928512    -10.91706813
  O     10.61917359     10.18736699    -11.27274291
  H     13.22737035      6.87920583    -15.80108659
  H     11.49681726     10.35194133    -10.87978918
          69
 Energy    -248.14454158367366     
  O     17.62987284     15.15847008    -16.18911491
  H     18.55725570     15.07501756    -16.48155791
  H     18.71764014     11.12469959     -9.75545483
  O     21.84773719     10.41872818    -15.44215718
  H     17.20565189     15.76795909    -16.78662294
  H     20.42246597     16.99913987    -11.71206971
  O     19.00595718     12.98053708     -9.97226610
  H     21.85675245     11.15050105    -14.79973416
  H     19.00390084     16.53660630    -12.11109367
  O     14.97407664     11.64996926    -12.37792130
  H     22.71950108     10.38502526    -15.83000101
  H     20.63854302     12.46161906    -10.56390989
  O     21.29865042      9.41028453    -10.71442323
  H     19.17183858     13.84008146     -9.56641496
  H     21.57274979     11.23435756    -10.72223249
  O     16.68227037      9.41586678    -11.67715145
  H     18.35669973     13.11670100    -10.67657034
  H     17.60786497      8.62204236    -14.54803194
  O     20.08029075     11.98067978    -17.17088642
  H     14.06129948     11.72367752    -12.11131850
  H     17.60818357      9.00582449    -13.04836897
  O     21.00831516     15.02210027    -14.10032904
  H     14.97512271     11.46354978    -13.33268916
  H     20.66310569     14.88015625    -15.95062098
  O     19.71536649     15.54127061     -9.08043106
  H     21.77230573      8.70346632    -10.28385630
  H     20.28863521     13.79924833    -17.00125161
  O     21.53428124     12.38032369    -13.59380789
  H     21.19019427      9.14737278    -11.64541345
  H     23.01748306     17.19979889    -12.14483658
  O     15.11951706     11.15531306    -15.07256261
  H     16.06730022     10.14788047    -11.78777396
  H     22.35556195     15.97345813    -11.46899236
  O     18.62749680     10.17150489     -9.88035224
  H     17.30368681      9.66481968    -10.97491007
  H     17.96388915     15.42455531    -14.35551220
  O     19.51241527     16.94099304    -11.39569209
  H     19.15679794     11.91084381    -16.90207502
  H     17.87769517     14.70515235    -12.97833033
  O     21.52473261     12.19064992    -10.84769589
  H     20.57663062     11.35505790    -16.63173217
  H     22.19562621     13.88135238    -10.37157662
  O     18.17315544      8.91202359    -13.83733352
  H     20.08176557     15.14191460    -13.84702057
  H     21.49631593     15.05124136     -9.65159917
  O     20.21503180     14.74282763    -16.79504154
  H     21.52897188     15.60990194    -13.53910679
  H     21.27813285      9.19995491    -14.08263295
  O     22.26050266     16.62259323    -12.18964809
  H     19.47842026     16.08333168     -8.33301909
  H     19.96923409      8.63184051    -13.50091801
  O     18.30783674     15.42983449    -13.45391693
  H     19.57273254     16.08165314     -9.87840469
  H     18.70674069     10.68078005    -13.74726404
  O     22.28032395     14.82161580    -10.16608022
  H     21.41781406     13.31465898    -13.81565336
  H     19.78794171     11.82041140    -13.69863073
  O     20.91185185      8.74184073    -13.31719478
  H     21.62246331     12.31584164    -12.63310116
  H     17.96006131     12.14666924    -15.20850731
  O     18.84268534     11.63672993    -13.75339181
  H     15.90488752     11.56692928    -15.46809214
  H     17.41188718     13.29699464    -16.09922022
  O     17.43032546     12.33673861    -15.99880555
  H     14.57497267     10.87113487    -15.80227355
  H     17.86512856     12.61142832    -12.67528375
  O     17.30024033     13.19903598    -12.14725172
  H     19.50771969      9.84913078    -10.10576381
  H     16.42830227     12.78801314    -12.13269079
          69
 Energy    -248.14398301515226     
  O     15.59055165      5.70674517    -13.46325148
  H     15.72808804      5.56544938    -14.40745874
  H     20.47604087     10.12577086    -15.22050232
  O     17.40772509     11.92151536    -12.16288030
  H     15.25508713      6.60957009    -13.37624008
  H     17.84666560      8.11832974    -14.84707868
  O     21.32195838      8.43759655    -12.62123022
  H     17.92882093     12.59916510    -12.61070882
  H     16.63841351      8.75771597    -14.07795120
  O     16.03687039      8.03741221    -17.66325008
  H     17.98486037     11.14889203    -12.07581098
  H     16.48112984     11.23082566    -17.30565634
  O     13.46911606     10.63905483    -12.32090522
  H     22.22322823      8.47076261    -12.31339070
  H     17.07806291     12.61871595    -17.05847513
  O     15.13560970      8.42734600    -13.03467991
  H     21.32091967      8.78834212    -13.53116063
  H     17.55494597      8.72864567    -11.06403286
  O     18.92994637     13.45397221    -13.94929719
  H     15.95285758      7.21547348    -17.16849488
  H     16.95604327      7.33175785    -10.81754391
  O     19.71667566      6.11330472    -13.14675116
  H     15.61697614      8.72829911    -17.13557923
  H     15.14414690     10.81944811    -15.58946963
  O     18.64307843      6.61142479    -15.58516890
  H     12.59066103     10.74195270    -11.96660977
  H     14.11798874     10.66530199    -16.72981678
  O     16.23611629      5.55171879    -16.21507725
  H     14.08855755     10.72625207    -11.57254640
  H     16.11051353     11.32324068    -10.91084418
  O     17.42497926      5.62871641    -11.46856236
  H     14.45551191      9.09747101    -12.91211298
  H     15.83493582      9.92443730    -10.32155208
  O     21.14749790      9.43733170    -15.12628942
  H     15.63480367      8.39053625    -12.20456455
  H     19.74863000      9.24261516    -12.09323877
  O     17.53594042      8.91431234    -14.39717071
  H     19.79076621     13.86363359    -13.97153962
  H     18.41748516      9.25379685    -12.88174947
  O     17.25047943     11.77886356    -17.50946919
  H     19.00303140     12.61736363    -14.44261974
  H     16.08158965     11.77828534    -13.47289791
  O     16.76150879      8.27448044    -10.74268736
  H     20.27883885      6.83811369    -12.84854501
  H     14.56392761     11.52696407    -13.53989052
  O     14.98448622     10.38432459    -16.44174063
  H     19.02357058      5.98961857    -12.48706058
  H     20.94505704      7.51985103    -18.07305809
  O     15.43555498     10.79161378    -10.46646573
  H     19.08545734      6.36101528    -14.75897575
  H     19.71779920      8.41475849    -17.77578465
  O     18.83391649      9.54402555    -12.05450107
  H     19.29929768      6.96383443    -16.19775990
  H     16.03702082     13.24176656    -15.16306499
  O     15.32546582     11.78283513    -14.07541500
  H     16.31573075      4.77326903    -16.76108102
  H     17.40514474     13.92202002    -15.11586053
  O     20.41276555      7.86806851    -17.36331047
  H     17.14209749      5.85964777    -16.03021526
  H     18.39506213     10.36438193    -15.01135109
  O     16.63559055     13.79357570    -15.68291483
  H     16.77675290      5.57667226    -12.19460984
  H     18.45555590     11.35828238    -16.18411643
  O     18.90390592     11.10805120    -15.36593777
  H     17.35718154      4.81030210    -10.98330372
  H     18.14362940     10.20536400    -18.32148738
  O     18.38507707      9.27865540    -18.41579873
  H     21.03493090      8.87069225    -15.89935511
  H     17.57488910      8.77625971    -18.23579830
          69
 Energy    -248.14390348437470     
  O     15.64274866      4.96322748    -16.30988409
  H     15.79962119      5.91046818    -16.41802405
  H     17.26873460     12.12844310    -14.43088393
  O     18.53062376      6.31871288    -10.11023881
  H     14.69588513      4.87355670    -16.14347030
  H     16.29406136     10.92956878    -16.23509694
  O     13.69283559     10.54914169     -9.80073561
  H     19.20502875      5.77134662     -9.71707971
  H     15.49414709     11.00527261    -17.55747106
  O     19.62842109      9.97301425    -14.30834659
  H     18.45683311      6.04746109    -11.04302502
  H     16.89756566      8.91856431    -11.41469613
  O     16.81319503      3.73987598    -14.17560825
  H     13.28984442     11.32818449     -9.42541114
  H     15.75888586      9.63190085    -12.20708810
  O     12.69007740      7.94283400    -10.02385824
  H     14.04086256     10.80767669    -10.67098665
  H     12.17367017      4.33262957    -15.46294286
  O     15.79903138      6.51785732     -9.27699283
  H     19.03788731      9.19976383    -14.31292748
  H     13.33998544      4.57260324    -14.47161511
  O     14.38451519      6.82482992    -11.85593592
  H     20.46198441      9.68648215    -14.67191963
  H     15.80457204      8.28038423     -8.70810529
  O     18.93156592     11.20944801    -11.82520219
  H     16.46634195      4.16951871    -14.97764272
  H     15.20020557      9.69302407     -8.91224647
  O     15.78885300      7.76957740    -16.14373183
  H     17.13081541      2.88105668    -14.44273418
  H     17.13885882     13.72245338    -12.45468122
  O     18.27145474      5.66904683    -12.71336590
  H     12.71366554      7.57495688     -9.14147019
  H     17.67323150     12.27646936    -12.30676084
  O     17.50571382     11.64430047    -15.23064538
  H     12.95910247      8.86902675     -9.93176478
  H     18.44135337      8.19622263    -10.07530178
  O     15.58999491     10.50090461    -16.75416518
  H     16.72444431      6.35016986     -9.49940142
  H     17.48357588      9.26447334     -9.46850187
  O     16.25815611      8.80919630    -12.13106418
  H     15.31454144      6.42098028    -10.10257439
  H     14.32208808     10.94147223    -13.08065379
  O     12.94813087      4.86767795    -15.31463782
  H     13.70591229      7.18807150    -11.26613922
  H     15.44973736     11.80514404    -12.40097736
  O     15.96081951      9.22453781     -8.55313605
  H     15.09677459      7.47805690    -11.93080409
  H     13.18164566      6.67374262    -14.86046699
  O     16.95089730     12.81547344    -12.68006717
  H     18.76999714     10.51738757    -11.16927338
  H     13.78305072      7.28024639    -13.57605417
  O     18.17719055      9.12282072    -10.13303130
  H     19.29460711     10.77369704    -12.60584642
  H     15.15337312      4.01721234    -13.27691428
  O     14.75657377     11.15278519    -12.23900292
  H     15.75397811      8.66799654    -16.49514616
  H     14.33278515      5.08916359    -12.52160121
  O     13.54087253      7.48886193    -14.48747455
  H     15.02332981      7.67933869    -15.55688951
  H     13.48585396      9.37613859    -14.57694065
  O     14.25639105      4.26374847    -13.01899607
  H     18.19933847      6.43585646    -13.29625764
  H     14.26779105     10.44183437    -15.37015294
  O     13.70449011     10.31691711    -14.59708484
  H     17.80888827      4.95269294    -13.16383822
  H     17.18560604      7.84832053    -14.98271738
  O     17.78550754      7.97440425    -14.23663496
  H     18.29264746     11.13331580    -15.00528614
  H     17.24088155      8.30140965    -13.50336142
          69
 Energy    -248.14382924229142     
  O     18.90471728     11.83067675    -18.75372285
  H     18.26185415     12.56104871    -18.80543322
  H     19.92605579     15.59898701    -17.12485502
  O     17.77774876     18.29968027    -14.04000412
  H     18.77042077     11.29431167    -19.53066185
  H     15.45396763     11.60573601    -14.48191920
  O     22.62344447     12.72700592    -15.86613931
  H     17.40990816     18.29055189    -14.93454627
  H     15.03579830     13.01715021    -14.03728564
  O     16.01300674     14.33971216    -13.04321355
  H     18.73398593     18.21227623    -14.14676359
  H     23.01370582     14.42483816    -15.22012964
  O     16.86643877     10.45389927    -14.03539659
  H     23.21225885     11.98521470    -15.97237594
  H     22.65349516     15.40542921    -14.07298654
  O     14.87303640     13.47507058    -17.13929030
  H     22.19372030     12.87462027    -16.72908354
  H     17.72313733     11.80122257    -12.95896657
  O     21.30056404     13.22063126    -18.15927174
  H     16.22294468     15.17043403    -12.59734692
  H     18.91980848     12.69529090    -13.33024970
  O     22.35828828     17.36427393    -16.53714217
  H     16.76932162     13.75145679    -12.90231512
  H     17.19331896     17.60328858    -17.45514580
  O     17.00768363     16.73553612    -11.98188920
  H     17.44411302     10.58652106    -14.81001673
  H     16.49109334     17.01424830    -16.23861859
  O     20.09462620     12.89638511    -14.65620482
  H     16.83542104      9.51535232    -13.87224400
  H     22.16697600     16.16988425    -11.74032971
  O     17.11460639     13.83872498    -18.84279509
  H     13.96784488     13.59817102    -17.41450629
  H     20.83862773     15.54010002    -12.20878063
  O     20.40121675     15.89046573    -17.92054197
  H     14.84166448     12.97220017    -16.30581972
  H     20.89068152     17.08994220    -13.73542956
  O     14.84162749     12.32507306    -14.68243344
  H     20.51842258     12.70394590    -18.39002111
  H     21.05556151     17.65323314    -15.17219669
  O     23.10402425     15.33917058    -14.92427204
  H     21.03939719     14.14842221    -18.21846181
  H     18.53288473     15.63428279    -11.71574461
  O     18.18910068     12.60454803    -12.69844129
  H     22.70360241     16.62919399    -15.99639040
  H     18.92949377     14.14624729    -11.84796105
  O     16.79526466     17.85356576    -16.61539737
  H     23.10010490     17.92256945    -16.75232563
  H     18.62589875     11.20193657    -16.99144051
  O     21.67780683     15.92266477    -12.52114351
  H     17.24373915     17.31327954    -12.73026182
  H     19.14413054     11.63973875    -15.60994973
  O     20.42665239     17.54906724    -14.44819597
  H     16.64780967     17.30198814    -11.30460581
  H     19.43413090     16.08097695    -15.11431856
  O     19.28014731     15.02562703    -11.66288924
  H     19.78232128     13.74934043    -14.99599776
  H     18.16526480     15.31255176    -15.61932866
  O     18.56583233     11.00241590    -16.05117402
  H     21.00382724     12.78439409    -14.95424861
  H     18.87176255     16.40266642    -18.70448194
  O     19.13039335     15.28708295    -15.57195025
  H     17.28835532     14.78610933    -18.87598059
  H     18.03511555     17.01012612    -19.85016826
  O     17.96418910     16.59308509    -18.99439852
  H     16.32365809     13.70524839    -18.30580353
  H     16.19705543     15.01267855    -14.70645700
  O     16.35720523     15.31082522    -15.61167385
  H     21.11260748     16.46222845    -17.60749702
  H     15.84482277     14.73476720    -16.18997261
          69
 Energy    -248.14375909805639     
  O     12.17222047     10.86756024    -15.14911313
  H     11.92709322     10.74050100    -14.22497859
  H     16.46880856     11.31438468    -17.37183649
  O     16.20295976      6.31420081    -13.40927138
  H     12.83792680     11.56556806    -15.17021977
  H     15.92513362      7.62195361    -14.60619707
  O     17.86396310     10.36718513    -12.26774323
  H     15.42830892      6.47838113    -12.85467654
  H     16.27384514      8.28605900    -15.97568337
  O     18.25041341     10.75967785    -17.17535321
  H     16.97187254      6.69816923    -12.96513782
  H     11.56399465      9.11371536    -12.88821518
  O     14.02782529      7.04219281    -11.88345988
  H     17.09780900     10.55934139    -12.83144470
  H     10.64263616     10.07378093    -12.09895221
  O     15.59047459     10.69657948    -13.74899026
  H     17.53448508     10.42252152    -11.36354057
  H     16.95040344      8.36419837     -9.66215232
  O     17.05795366      8.26610096    -17.65965749
  H     18.59717172     10.58125553    -16.28298643
  H     17.73073847      7.36457721    -10.53374039
  O     14.92675109      5.93104582     -9.55995052
  H     18.95252464     11.18842520    -17.65815347
  H     12.26782065      7.69121382    -14.53587274
  O     18.69389820      6.33727341    -16.41308792
  H     14.21994003      6.59012329    -11.04817528
  H     12.61830564      7.21869892    -13.09521045
  O     16.91540974      4.49583435    -15.35760692
  H     14.11606983      7.98988611    -11.71869295
  H     18.91750337     10.35622198    -13.87433356
  O     20.16385663      7.46562256    -14.47158939
  H     15.65080187      9.91545612    -14.32004968
  H     19.64336564      9.26045255    -14.68039525
  O     15.52920264     11.50934662    -17.48091470
  H     15.21076868     11.41939125    -14.26090453
  H     19.07139251      7.45671875    -12.96511889
  O     15.73855197      8.37757362    -15.17884439
  H     16.21147925      8.44115673    -18.08956497
  H     18.21277714      8.55724319    -12.30022668
  O     11.51234251      9.99920309    -12.48230540
  H     17.52769113      9.10939738    -17.59667322
  H     15.49731873     10.06560558    -10.36611350
  O     17.21075415      7.43700923     -9.72332909
  H     15.06009664      5.15297067     -9.02604883
  H     16.12723911     10.73152185     -9.12283635
  O     11.91165867      7.58378812    -13.64649158
  H     15.77309987      6.41055133     -9.55519827
  H     13.91968737      8.88704093    -19.26668844
  O     19.26764694     10.14778441    -14.74806829
  H     18.15918423      6.91457816    -16.97126144
  H     13.89519660      8.79683579    -17.72469551
  O     18.38840236      7.60566294    -12.29933807
  H     18.11467404      5.61666428    -16.12608545
  H     14.62932217     10.17212120    -12.33880451
  O     16.32407745     10.16518217     -9.86497288
  H     16.27321923      3.79667315    -15.44581737
  H     13.21570829      9.99190799    -11.73201750
  O     14.44848201      9.03699898    -18.48724778
  H     16.60990739      5.04957227    -14.62085453
  H     14.76976748     12.29717020    -16.16008613
  O     14.15520140      9.86019139    -11.55282203
  H     19.65574048      7.03473700    -15.18341133
  H     14.41801935     13.60136187    -15.40130173
  O     14.38111665     12.65123418    -15.33876945
  H     21.05264722      7.12529506    -14.52364354
  H     12.75953616      9.33574552    -15.83753233
  O     13.14072509      8.49111643    -16.12784913
  H     15.13024065     10.73092409    -17.88672249
  H     14.01869266      8.41576374    -15.72475148
          69
 Energy    -248.14364521859659     
  O     -2.66830806      4.94198730      3.42881865
  H     -2.68366515      4.41817084      2.60856882
  H      1.21778381      6.94222938     -2.93738925
  O      1.07097590     10.99263364      0.77728456
  H     -3.22460999      4.48964234      4.05739773
  H      2.40564147      2.84672103      2.69172727
  O     -1.00328753      8.82171270     -1.67659779
  H      0.25958935     11.23511492      0.31363629
  H      1.20811782      3.80658743      2.49370593
  O      0.31045285     10.35809030      3.30476826
  H      1.32434044     10.13011582      0.41975180
  H     -0.47695041      5.51938486     -3.45894300
  O     -2.29507496     10.30481673      2.09015345
  H     -1.23090266      9.70256701     -1.35496853
  H     -1.85465224      4.80954021     -3.21086097
  O      1.26277473      8.33930325     -0.14199904
  H     -1.68036159      8.21602723     -1.34180284
  H      0.11853203      1.98237008     -2.05552341
  O     -2.65960798      6.92579594     -0.51359167
  H      0.73398940     10.88371264      3.97741962
  H      0.22848391      3.28753753     -2.85548192
  O     -2.49750252      7.49923692      2.21691435
  H      0.65499969     10.66543814      2.44629502
  H     -0.72282823      4.96005489      3.39289654
  O     -0.69389051      5.00932928     -0.49508683
  H     -2.56076530      9.37937308      2.17002442
  H      0.34458294      5.96416964      2.92358956
  O     -2.44766165      3.58773066      1.08312920
  H     -1.50395864     10.39561455      2.63599173
  H     -2.80325289      1.86682259     -1.31669582
  O     -0.49605252      1.55059357      1.23446504
  H      0.47498589      8.47310017     -0.68956416
  H     -4.34384786      1.85517634     -1.41092994
  O      0.40072560      7.07510306     -3.43194426
  H      1.86270338      7.77618647     -0.64426182
  H      1.65006829      3.57457213     -1.15557433
  O      1.73868856      3.11072958      2.06350002
  H     -1.91631988      6.30243513     -0.49376801
  H      2.03658929      3.78386476      0.35324728
  O     -0.89934242      4.66878612     -3.26403896
  H     -2.79753466      7.18185889      0.40680171
  H     -3.63436875      4.18791519     -2.01763523
  O      0.75443032      2.63243181     -2.37183820
  H     -2.70826803      6.70138197      2.71492013
  H     -3.44654011      5.71326714     -1.81894681
  O      0.20976732      5.03721205      3.16548013
  H     -1.53011289      7.56311682      2.22142641
  H      0.35841227      8.53823038      2.83101599
  O     -3.59895381      2.40563893     -1.17979653
  H     -0.80933773      4.84262342     -1.44251447
  H      0.66625170      7.84664490      1.47797421
  O      2.00225215      4.21055656     -0.51064041
  H      0.23881032      4.84990722     -0.31905407
  H      2.52341866      5.69819507     -1.29489721
  O     -3.52825256      5.02219078     -2.48916324
  H     -1.79425631      4.10626527      0.58704659
  H      3.58900484      6.49057829     -2.08625784
  O      0.29362059      7.69867460      2.35925785
  H     -3.02349493      3.18749855      0.42124208
  H     -0.93306826      1.02929036     -0.36267300
  O      2.70781548      6.55000669     -1.72610592
  H     -1.19001249      2.21232587      1.35651488
  H     -1.10844268     -0.06427576     -1.44500747
  O     -1.26021175      0.86023552     -1.26519143
  H      0.32247973      1.97442126      1.51805512
  H     -2.08337104     12.00759323     -0.59574962
  O     -1.55741651     11.24943311     -0.35574936
  H     -0.08706218      7.76926977     -2.96979238
  H     -1.90029233     10.92802183      0.49742454
          69
 Energy    -248.14357168031205     
  O      1.74872590      1.71644188      3.40355014
  H      2.24964527      0.89407726      3.44732434
  H     -0.80832743     -3.92375765      3.34228786
  O      1.49151264      2.93418449      0.99717003
  H      0.95789303      1.59914189      3.94651271
  H     -2.71603720      0.24845339      0.34301457
  O     -0.48864231     -2.42833000      4.40272693
  H      1.59390475      2.51819658      1.87187736
  H     -3.05533472     -1.24250167      0.59162901
  O      0.29372302     -3.37646878     -2.54112522
  H      2.08414557      3.68098077      0.97792644
  H     -2.76578646     -2.77884873     -1.78900638
  O     -2.18382852     -0.03820310     -3.41205398
  H     -1.11247762     -2.05321766      5.03520475
  H     -1.59659271     -3.02104031     -2.75474513
  O      0.58504769     -0.72411500     -3.04565397
  H     -0.54284222     -1.84330897      3.63144046
  H     -0.69738272      0.18540570      3.07955437
  O     -2.47303362      3.01661085      3.37825732
  H      0.82190239     -3.88433925     -3.15112565
  H     -1.54252628     -0.46163372      1.93887753
  O     -3.73061395     -4.11556218      2.44769991
  H      0.47615627     -2.43748848     -2.72709804
  H      0.12431148     -3.54261564     -0.69090647
  O     -1.73023909      1.14575573     -0.90320573
  H     -2.69889243      0.16853208     -4.18692400
  H      0.57586080     -2.75274430      0.55831768
  O      1.04883593      0.72990439     -0.69199143
  H     -2.37554174     -0.96602760     -3.18516852
  H      1.24529940     -2.57408775      4.81766436
  O     -3.92232955     -1.43158510      3.47832118
  H     -0.28865115     -0.40279463     -3.30005391
  H      2.38956317     -3.48061004      5.29892433
  O     -1.06835615     -4.56944353      2.67133329
  H      0.86980145     -0.16305978     -2.31174512
  H      0.72028334     -0.96302696      1.58133252
  O     -3.07694927     -0.36366010      0.99828291
  H     -2.11006795      3.15777205      2.48711710
  H      2.24046037     -1.17794105      1.76463980
  O     -2.48204450     -2.64061067     -2.70301380
  H     -3.39124130      3.26774378      3.33043018
  H     -1.39445826      1.91777990      4.21697643
  O     -0.70845607     -0.52109360      2.42033226
  H     -2.79620709     -4.36001515      2.57698578
  H     -1.30146238      0.61398784      5.06611660
  O     -0.03125310     -3.44291529      0.25722388
  H     -4.24700672     -4.90021939      2.61066407
  H     -3.00942575     -1.01286892      4.90395921
  O      2.20633268     -2.61251725      4.94865532
  H     -0.78443090      0.96262757     -0.80950908
  H     -2.99261077     -0.81154699      6.43781628
  O      1.51912589     -1.29779217      1.13732715
  H     -1.97867464      0.84396481     -1.78525947
  H      4.21031287     -0.69104174      3.39677556
  O     -0.78163701      1.24300268      4.55310248
  H      1.27759617      1.53415095     -0.20932982
  H      2.94093973     -1.40296092      3.91860630
  O     -2.43034417     -0.83760416      5.66869352
  H      1.29201570     -0.00988821     -0.11768031
  H     -1.84256751     -3.09854289      0.16055884
  O      3.26379131     -0.73653968      3.28789462
  H     -3.77625623     -0.91809758      2.67305882
  H     -3.23295306     -3.41888783      0.77532752
  O     -2.79407856     -2.95035637      0.05535448
  H     -3.93487953     -2.35544942      3.19952177
  H     -0.38825487      3.25883982      0.93691954
  O     -1.35226496      3.28012756      0.90345066
  H     -0.61022062     -4.32076551      1.85797000
  H     -1.60431961      2.65051923      0.21620627
          69
 Energy    -248.14348807541379     
  O     17.42762432      9.62815133    -10.70819698
  H     17.96979935     10.01537972    -10.00895319
  H     14.71094089      6.38798569     -4.91729280
  O     14.39367258      3.84697896     -9.40531671
  H     18.00149010      9.22491512    -11.37155298
  H     15.51257006      6.62126222    -15.84120213
  O     18.55893890     10.44521762     -8.33355914
  H     14.60767437      4.57391520    -10.01368667
  H     14.98328640      7.44616351    -14.64386864
  O     12.71558004      5.41351503     -7.74422972
  H     14.31524840      3.05807399     -9.93575939
  H     14.32673632      6.70966296    -11.13947436
  O     14.89281909     10.52076270    -11.00966721
  H     19.03020593      9.59240801     -8.30577197
  H     15.54513212      6.51123024    -10.23278621
  O     18.86207988      8.29626216    -12.62294500
  H     19.15819043     11.09615686     -7.97783626
  H     17.85124503      9.23071068    -13.93078850
  O     20.97783903      7.28257195    -11.07445730
  H     13.18244734      4.79044355     -8.31502739
  H     16.73707838      8.66495828    -14.82074262
  O     17.12940716      6.08719686    -12.71927853
  H     13.30431711      5.57515473     -6.99594579
  H     14.90133073     11.75658678    -14.37333174
  O     12.07148116      7.86709402     -8.67325658
  H     14.80460693     10.85171984    -11.91173523
  H     15.79017695     10.53653412    -14.03997775
  O     15.60387777     10.86255075     -8.20611844
  H     15.80673865     10.19716015    -10.95159638
  H     16.76316092      8.29468279     -9.66341287
  O     14.48515825      8.54360724     -7.33172798
  H     19.68709610      8.03714772    -12.19489952
  H     15.77313897      7.93239096     -8.50491144
  O     14.69236832      6.22444908     -5.85712233
  H     18.29728616      7.50870618    -12.64535214
  H     20.33435744      7.90420574     -9.36030087
  O     15.77387182      7.01076440    -15.01112371
  H     21.87622850      7.01700788    -11.25084394
  H     19.42973750      7.23074593     -8.31898206
  O     15.00537804      6.06411920    -10.90413417
  H     20.44146487      6.46743493    -11.05837970
  H     15.80238394      4.88658707     -6.69952659
  O     17.12566607      9.49280696    -14.51094077
  H     16.73373191      6.28488693    -13.57793690
  H     15.68006223      4.00134490     -7.94963815
  O     14.96591652     10.99734960    -13.80023704
  H     16.38768921      6.02837785    -12.10168688
  H     12.76373485      8.12256192    -10.38112092
  O     16.40095343      7.56806883     -9.14008762
  H     11.18484024      8.09740377     -8.40795336
  H     13.82186229      9.02676209    -11.06760328
  O     19.86317300      8.06714598     -8.53448494
  H     12.22497468      6.95021110     -8.38095634
  H     18.90807970      5.24791637    -10.10758528
  O     16.28243749      4.24409422     -7.23638306
  H     15.31577450     10.92710376     -9.12600116
  H     18.53294157      5.31689018    -11.61590737
  O     13.28178446      8.23143095    -11.18746856
  H     16.56558230     10.79366972     -8.21494918
  H     17.76600118      5.07733180     -7.93836747
  O     19.26891333      5.19532653    -11.00479718
  H     14.81607802      9.43680789     -7.51135665
  H     17.65068553      6.41113604     -8.67860192
  O     18.28800255      5.72274764     -8.43243189
  H     13.63882698      8.44258339     -7.78528742
  H     13.40929366      8.27635648    -13.04913154
  O     13.70914827      8.42417261    -13.95552709
  H     14.68785336      7.09405380     -6.29045158
  H     14.00397891      9.34326964    -13.98145632
          69
 Energy    -248.14343086787198     
  O     15.51720448     12.04014332    -12.31069181
  H     15.01426750     12.26516694    -11.51866472
  H     13.18317041      7.16548239    -14.64873058
  O     17.75108611      8.91602271     -7.69901687
  H     16.19522329     11.42008141    -12.01065502
  H     13.23324575     11.56215144    -10.54551059
  O     16.41151691      5.71921390    -11.42536634
  H     18.40073908      9.05037332     -8.40019305
  H     13.25927121     12.79628320     -9.61366335
  O     13.40075691      3.97376881    -10.14474192
  H     16.97977381      9.44443328     -7.94253484
  H     14.97511888      8.39141531    -14.20105766
  O     18.77751149      6.32517821    -10.05859057
  H     15.96573560      5.79223878    -10.57133935
  H     13.99248773      9.48350600    -14.66142621
  O     17.46759660      6.22752274     -7.49096338
  H     15.78387059      5.27927100    -12.01866244
  H     20.36445088      9.07879442    -10.16236657
  O     17.08725972     10.06155393    -11.08687755
  H     14.02132703      4.52157571     -9.63556120
  H     19.25434670      8.00106156    -10.10858487
  O     10.86343092      8.17464423     -9.06528943
  H     13.41970423      3.10328078     -9.75571622
  H     15.88360387      5.83598844     -8.34115025
  O     15.47148218     10.17683225     -8.78775421
  H     18.43990804      6.15034971     -9.17177131
  H     14.55810005      6.55373126     -8.71559756
  O     13.56023356      8.05245214    -11.42439215
  H     18.08198720      6.03479836    -10.66425446
  H     12.62532888     10.81480547    -12.63696387
  O     11.67236700      6.07578581    -10.74462542
  H     17.54191470      7.19918711     -7.49198795
  H     11.43643746     10.27321037    -11.75128302
  O     12.63237151      6.37061397    -14.53787602
  H     17.81084413      5.92678727     -6.65388655
  H     10.65144786      6.61481169    -12.16656719
  O     13.81114599     12.11779821     -9.99447361
  H     17.96422394      9.76850917    -10.81010482
  H     11.08841302      6.94621740    -13.59092968
  O     14.22394661      8.55747863    -14.78967663
  H     16.53105055     10.05938518    -10.29494859
  H     10.00860358      8.62779179    -12.14037685
  O     19.42816726      8.95682419    -10.03251245
  H     11.02412304      7.33152851     -9.51483542
  H      8.93778626      9.65229235    -11.70400142
  O     15.09228069      5.76608190     -8.89030097
  H     10.46351735      8.72918150     -9.74196715
  H     13.83360879      4.36797305    -12.05729111
  O     12.35528788     10.57465133    -11.74035707
  H     14.94945721     10.93538985     -9.07591046
  H     13.68418911      5.23009828    -13.33930208
  O     10.39978791      7.13685292    -12.94245734
  H     14.83841675      9.45919136     -8.63919685
  H     14.37499246     11.57191419    -13.55218295
  O      9.86001156      9.43082072    -11.60835577
  H     13.14060170      8.90784274    -11.58291173
  H     13.53390539     11.95869087    -14.79180160
  O     14.30310189      4.68811477    -12.83604030
  H     14.37966301      8.03447378    -11.93224336
  H     12.67811484      8.21667548     -8.56028264
  O     13.63506771     11.28940581    -14.12012778
  H     12.13290332      5.26907678    -10.48961795
  H     13.71559905      8.11271662     -9.67816476
  O     13.62823692      8.12723118     -8.71039720
  H     12.34855225      6.69359563    -11.06587058
  H     16.44916988      8.81069622    -12.22563261
  O     16.02985448      8.11340432    -12.74685970
  H     12.56373865      5.97031399    -15.40172195
  H     16.28531726      7.26814411    -12.35298802
          69
 Energy    -248.14341575399811     
  O     18.05857418      8.75225564    -16.49720180
  H     18.77764091      9.36373432    -16.74058136
  H     16.29239294     12.81548045    -11.97736056
  O     18.77652307     15.34750011    -16.66653061
  H     18.14452649      7.98882404    -17.06184634
  H     19.95602247     15.95139591    -12.31728575
  O     21.78069292     11.45135531    -12.75557303
  H     19.59766122     15.08062755    -16.21360672
  H     18.47151398     15.85005790    -12.83418871
  O     14.29634081     11.28976918    -14.77402425
  H     19.00477660     16.06890861    -17.24673457
  H     19.52219052     14.02939443     -9.29573238
  O     18.94243819     11.27627973    -10.34032345
  H     21.08036279     12.11963104    -12.67095963
  H     19.93823385     12.57390004     -9.42586980
  O     15.76632937     10.06883953    -12.64238527
  H     21.38033660     10.62425893    -12.46148957
  H     17.24133276      9.41897943    -13.37308586
  O     21.96996388     11.83584794    -15.47391595
  H     14.86455454     11.08526159    -15.53834872
  H     18.02544413      8.94423015    -14.66286354
  O     17.73417629     14.76706569     -9.87330378
  H     13.39531579     11.18215372    -15.06573386
  H     21.33066399     13.64762307    -15.40604990
  O     19.58646726     13.04954280    -12.45479941
  H     19.25239048     10.50366766    -10.82695115
  H     21.29249297     14.90742061    -14.49953927
  O     15.99102273     10.74730285    -16.82806536
  H     18.02228608     11.45163416    -10.58071676
  H     22.03788516     15.03154722    -12.18753143
  O     19.92831695     10.61744510    -17.12884984
  H     15.89353327     10.77423196    -11.99777169
  H     22.43101314     16.39643944    -12.79484417
  O     16.51253123     12.45152995    -11.10785262
  H     15.18201704     10.42956245    -13.32227245
  H     17.76746526     15.61051262    -15.07358528
  O     19.04612328     15.77010633    -12.05440814
  H     21.96208630     11.63105668    -14.52477115
  H     16.76611838     14.97902137    -14.07328660
  O     20.29669339     13.45783916     -9.26374396
  H     22.87349127     11.73136180    -15.76544874
  H     22.49247482     12.89102905    -11.48677001
  O     18.11884305      9.24905119    -13.75178399
  H     18.16231269     15.21708325    -10.62189694
  H     21.75514575     13.67927826    -10.37919790
  O     21.00030781     14.55123728    -15.34677681
  H     17.30681850     15.44735455     -9.35811722
  H     20.31607339      8.36688644    -11.65563106
  O     21.76358464     15.71574469    -12.82413663
  H     19.34239846     12.58282287    -11.64492461
  H     19.44258191      9.19366385    -12.62920397
  O     17.38719957     15.70953952    -14.19266137
  H     19.42824628     13.98879628    -12.31210825
  H     18.21469936     11.03353222    -14.27580211
  O     22.43762591     13.75404044    -11.06399394
  H     16.57801362      9.98576743    -16.75931908
  H     18.78233677     12.41185190    -13.83290145
  O     20.13794347      9.25625520    -11.95090619
  H     16.56068069     11.48584124    -17.08399744
  H     18.19747601     13.61522866    -17.14808494
  O     18.23808431     11.97024843    -14.50057257
  H     19.34656524     11.36459519    -17.32932627
  H     18.12909820     12.41550660    -16.18628273
  O     18.02320739     12.66838500    -17.12004482
  H     20.61982409     10.97234076    -16.55865993
  H     15.22178608     12.80429330    -14.08277580
  O     15.96009343     13.31626454    -13.73317656
  H     16.81660899     13.20481758    -10.58554086
  H     16.75545390     12.84627979    -14.03029303
          69
 Energy    -248.14317420512822     
  O      5.09748539     -6.32011956     -1.82678813
  H      4.66203373     -6.90802180     -1.19512024
  H      3.25562409     -4.53393933     -0.91767537
  O      2.11050346     -8.46716322     -3.84333172
  H      4.98910635     -5.43219081     -1.46283312
  H      2.28861985     -5.39050263     -4.06938744
  O     -0.58381251     -8.17468736     -0.09867292
  H      1.26892400     -8.03788011     -4.04619874
  H      0.77260915     -5.72950215     -4.15467816
  O      0.39936180     -2.73918649     -2.71211970
  H      2.79328597     -7.81608519     -4.03940973
  H      1.96580996     -6.65226094      2.49455781
  O      3.91042644     -6.27559908     -4.26662504
  H      0.19495102     -8.55166033     -0.53342668
  H      3.09063879     -7.04739280      3.48165485
  O     -1.78665233     -3.67058413     -1.43513980
  H     -1.25066748     -8.87198679     -0.06981205
  H      0.33358522    -10.57491389     -1.92968599
  O     -0.36130334     -7.16759083     -4.28798497
  H      1.13276141     -2.32933339     -2.24185886
  H     -0.71321775    -10.61072556     -3.07293539
  O      1.55184057     -2.07773294      1.34344666
  H      0.77481535     -3.46945904     -3.22584076
  H     -2.95739604     -7.83750203     -2.38876978
  O      1.63215658     -9.35715726     -1.32138539
  H      4.38219941     -6.31209514     -3.41598159
  H     -3.20989230     -9.24767804     -1.82226317
  O     -0.04832671     -4.26667888      0.65317738
  H      4.57605819     -6.26515587     -4.94918460
  H      3.33703086     -7.36132701      0.93894301
  O     -1.71517643     -6.46616273     -1.98197637
  H     -2.55351955     -3.13529808     -1.61935591
  H      2.72849570     -6.93927254     -0.41125384
  O      4.00582954     -3.94788681     -0.73282151
  H     -1.04406493     -3.28869011     -1.93829111
  H     -1.73123809    -10.66480357     -1.06354439
  O      1.40604774     -5.06756401     -3.84410164
  H     -0.77607901     -7.99623581     -4.55872105
  H     -2.70807320    -11.03469687      0.08097070
  O      2.92741069     -6.61214256      2.64912403
  H     -0.83468764     -6.89006909     -3.48881070
  H      1.10047699     -5.15822398     -0.52464804
  O     -0.48206514    -11.00372164     -2.22316044
  H      1.41583711     -1.26518256      1.82539899
  H      1.52476550     -5.44168170     -2.00933759
  O     -3.35764685     -8.69219755     -2.59852458
  H      1.91692928     -1.83264071      0.47865183
  H     -2.11471990    -10.11973945     -5.21200844
  O      3.32875721     -7.58209116      0.00085050
  H      1.84065089     -9.08503533     -2.22970645
  H     -2.35270067     -9.34230588     -3.89460667
  O     -2.39964741    -10.30613555     -0.45000492
  H      2.30955594     -8.95361568     -0.76509866
  H      2.96426554     -3.39625516      1.99658137
  O      1.77244811     -5.56527080     -1.08528115
  H      0.42359935     -3.47391394      0.93779654
  H      3.46029193     -4.84038979      2.27151762
  O     -1.66695698     -9.64378769     -4.51751355
  H     -0.74736338     -3.99291352      0.04609083
  H      3.16163566     -0.97057228     -1.61025637
  O      3.74418058     -3.96105549      1.98734136
  H     -1.28239828     -6.93764120     -1.25478447
  H      3.21482051     -2.43655860     -1.11659210
  O      2.63788703     -1.65677274     -1.20431683
  H     -1.79259972     -5.53537528     -1.74891218
  H      0.08288855     -5.76573271      1.70747855
  O      0.29495506     -6.63863160      2.06470205
  H      4.10175688     -3.94290425      0.23218307
  H     -0.02594112     -7.26416454      1.40127373
          69
 Energy    -248.14315800850983     
  O     11.96699841      9.40374827    -10.52089786
  H     11.42587250     10.19615894    -10.61720327
  H     14.15937360      8.60509552    -13.18660560
  O     12.32607771      8.29233672    -13.04234875
  H     12.09837010      9.01780955    -11.39741322
  H     13.49873479     14.58312913     -8.79109204
  O      8.56150966     10.55201823    -12.28060276
  H     11.71468965      8.83329425    -13.55833196
  H     14.75781331     14.00425372     -9.44951982
  O     14.49032437      9.96312349     -9.63879285
  H     11.92847484      7.42629633    -12.87991690
  H     10.78349745     12.44629169     -9.40192660
  O     15.75168512      7.62768443    -10.58394726
  H      8.46297460      9.86438299    -11.60833654
  H     11.75803645     12.34336985     -8.19388207
  O     12.72934304     14.69802673    -11.99016680
  H      9.18105616     10.23335927    -12.94721254
  H     11.94434823      8.08619664     -7.67612736
  O      8.23491000      8.94372034     -9.93816463
  H     13.59229189      9.74653384     -9.93777206
  H     11.80030292      8.21126699     -9.20334420
  O     12.36230110     12.22654369    -13.09134428
  H     15.03680831      9.19467596     -9.84324191
  H     12.05016040      9.59936589     -5.52700139
  O     15.39387959     13.93196984    -11.26959903
  H     14.98142464      7.04217759    -10.46984565
  H     12.50039945     10.30254911     -6.82288573
  O      9.76374290      6.56874152    -10.07218797
  H     16.52141842      7.11670126    -10.34897392
  H     13.00686314      6.52792068     -9.49512958
  O     11.75915753     15.23030269     -9.32371963
  H     13.66600540     14.58402352    -11.78285756
  H     12.87795257      5.94368597    -10.91490291
  O     15.08859738      8.86166091    -13.10588538
  H     12.30918032     14.93743546    -11.15556996
  H     14.72659230     11.01028856    -11.13199712
  O     14.27938885     14.04451046     -8.61261475
  H      8.70980931      9.42031042     -9.23511105
  H     15.02295262     10.57835387    -12.57184682
  O     10.92748898     12.74263619     -8.48647411
  H      7.32071053      8.90931547     -9.66419222
  H     10.52629473     10.47531695    -15.13234067
  O     11.83903484      7.56500167     -8.47839812
  H     13.20086521     11.85078441    -12.79071314
  H     11.29892517     10.99787729    -13.90410088
  O     11.95430513      9.57792068     -6.47614071
  H     12.39918066     13.16976116    -12.86796495
  H      9.78648224     11.50308147    -11.40359972
  O     13.51684412      6.14591123    -10.22312149
  H     15.27659433     13.02541990    -11.59943697
  H     11.22238018     12.04419996    -11.68493627
  O     14.82190841     11.35541641    -12.03035926
  H     16.24313264     14.22971682    -11.58628032
  H     10.25371938      9.91247135     -7.39913357
  O     10.74243008     10.26838093    -14.22588451
  H      9.17594378      7.33402079    -10.09571713
  H      9.81771259     11.21250642     -8.06732151
  O     10.60473025     11.80320789    -10.98336142
  H     10.39462711      6.75517978     -9.36357432
  H     11.06914108      5.00643306    -12.49597554
  O      9.55785385     10.29096862     -7.94795011
  H     11.36409352     14.41295748     -8.97706321
  H     10.70992336      6.07492813    -11.43554400
  O     11.34079093      5.84935796    -12.14325944
  H     11.25100203     15.95303541     -8.96418305
  H     13.86961679     11.00221689     -8.31951500
  O     13.41261941     11.59458582     -7.70445437
  H     15.42053575      8.38642661    -12.33405204
  H     13.78196812     12.47446056     -7.87143424
          69
 Ord_Energy   -248.143097    
 O   -1.37964773       1.36254740      -4.32724619    
 H   -2.14520478      0.771893501      -4.38767052    
 H  -0.879402220       1.25404465      -5.14570427    
 O   -2.25850105     -0.954122365      -7.04184008    
 H   -1.55520213     -0.294339389      -7.08277035    
 H   -2.60851240     -0.911613822      -6.14220333    
 O   -4.16997910       2.20807123      -8.34267998    
 H   -4.30979347       1.26881802      -8.50816250    
 H   -4.76480484       2.44179392      -7.61979961    
 O  -0.310533345       1.13928163      -6.90797186    
 H   0.569276154       1.14072573      -7.27435207    
 H  -0.766154528       1.92410886      -7.26521683    
 O   -5.71729374       5.57679510      -6.86879635    
 H   -6.21171474       6.09751368      -7.49652815    
 H   -5.75325727       6.04882574      -6.01719427    
 O   -4.65629959       3.80581474       3.77512909E-02
 H   -3.71793842       4.02308273       9.47969928E-02
 H   -4.68868685       2.91140485     -0.326619059    
 O   -2.85600162       5.55722141      -6.65496778    
 H   -3.80021310       5.52767277      -6.85732460    
 H   -2.72985458       6.30870056      -6.06245184    
 O   -1.73570812       1.97054672      -1.55992222    
 H   -1.44537067       1.74537110      -2.45115876    
 H   -2.66054392       1.69207835      -1.50045121    
 O   -4.49186230       1.40404844      -1.50208545    
 H   -4.77156162       1.91079521      -2.27869058    
 H   -4.71114779      0.481737375      -1.67326450    
 O   -5.23092222       5.48040915      -2.08325481    
 H   -4.29749489       5.68229818      -2.23840714    
 H   -5.23728228       4.98068428      -1.25380468    
 O   -2.75934076       7.56167364      -4.59815741    
 H   -2.29792261       8.38852978      -4.48360729    
 H   -2.56039214       7.01929426      -3.81541800    
 O   -5.92747211      0.108184569      -6.10882330    
 H   -5.58273268     -0.213986993      -6.95150852    
 H   -6.05419016       1.06422627      -6.19133139    
 O   -5.10576963       3.13351989      -3.60752869    
 H   -4.20757580       3.30186701      -3.93308115    
 H   -5.34073448       3.91614866      -3.09198403    
 O   -4.98754501      -1.26044309      -2.32658577    
 H   -4.97095823      -2.08854914      -1.85418332    
 H   -5.81444502      -1.24275076      -2.83974957    
 O   -4.55242538     -0.628470600      -8.43954754    
 H   -3.69146609     -0.799831867      -8.01636505    
 H   -4.62853098      -1.23517358      -9.17037582    
 O   -1.69012547       3.24995160      -7.83917809    
 H   -2.54172325       2.86281776      -8.09869385    
 H   -1.89437771       4.15143442      -7.57085133    
 O   -5.55491304       6.88928747      -4.50840139    
 H   -4.66608620       7.26532173      -4.52875328    
 H   -5.64560509       6.46924591      -3.64317799    
 O   -3.56367636     -0.334317535      -4.59827852    
 H   -4.34293127      -8.75916108E-02  -5.11398554    
 H   -3.89684439     -0.735059619      -3.78724265    
 O   -2.59970522       3.82163095      -4.45993853    
 H   -2.09273267       3.00116014      -4.50866318    
 H   -2.61735129       4.24619341      -5.32556486    
 O   -7.16569805      -1.07133043      -3.94644213    
 H   -8.07799339     -0.796402454      -3.89925218    
 H   -6.81028318     -0.688029349      -4.76491976    
 O   -5.96306229       2.86485577      -6.20523691    
 H   -5.73965836       2.91942286      -5.26385689    
 H   -6.00745010       3.77860713      -6.51288223    
 O   -1.79882109       4.33201313     -0.253605574    
 H   -1.69470060       3.47614932     -0.709456503    
 H   -1.16447496       4.34280491      0.457745761    
 O   -2.43891764       5.77351332      -2.55755901    
 H   -2.14065385       5.41232395      -1.71390653    
 H   -2.42037678       5.03981161      -3.19370580    
          69
 Energy    -248.14288567934767     
  O      4.99029845     -3.26705584     -1.14118044
  H      5.83904571     -3.28337389     -1.57598467
  H      2.33059919     -7.19744233     -0.86930737
  O     -1.00200068     -0.35987868     -0.96590609
  H      5.16493705     -3.08488250     -0.20072200
  H      1.86790862     -5.35807152      2.12245635
  O      0.38128279     -4.90873344     -1.74179399
  H     -1.66929932      0.13669346     -1.43152372
  H      3.35533302     -4.94670496      2.39935373
  O      0.09764060     -3.20799567      3.84763963
  H     -0.67573421     -1.04111651     -1.58359367
  H     -1.24546867     -3.67588303      0.77239684
  O      3.44337001     -0.84356543      2.28793505
  H      0.06973646     -5.74598362     -2.10684995
  H     -0.60997465     -4.66143976     -0.24213365
  O     -1.86054466     -7.31847478     -0.02006997
  H      1.31864139     -5.02159611     -1.53195044
  H      2.99378351     -1.84104095      3.80770868
  O      0.19413373     -5.78441226      2.65546673
  H     -0.35061911     -2.79684832      3.10120311
  H      1.84519870     -2.77592036      4.27540018
  O      0.10154423     -2.24429225     -2.53662381
  H      0.09590430     -4.15475218      3.65157522
  H     -0.99917603     -1.32837216      0.59147449
  O      2.68140384     -1.73796034     -1.70028402
  H      2.83972274     -1.38650335      1.75712329
  H      0.18150554     -2.13818216      1.17905923
  O      1.81853002     -2.56308293      0.82916983
  H      3.09863887      0.05485974      2.25428500
  H     -0.35848790     -0.56346758      2.62008521
  O      1.93436662      1.52742357      2.09959666
  H     -1.85240262     -6.38205621      0.21781418
  H      0.16221718     -0.60791138      4.05611662
  O      1.75887710     -7.95955503     -0.71676364
  H     -1.25830020     -7.75279674      0.59735813
  H      0.45360107     -9.24620164      1.88272056
  O      2.69103850     -5.06498209      1.70947745
  H      0.22220889     -6.72940757      2.45931116
  H      0.89493885     -8.23902818      0.79518887
  O     -1.17361432     -4.60855815      0.54488878
  H     -0.31827075     -5.37931133      1.93850504
  H     -1.09803978     -7.48957933     -1.59595713
  O      2.76999785     -2.54242737      4.43424440
  H      1.03965128     -2.02748293     -2.43031878
  H     -1.00909867     -7.91979958     -3.08195626
  O     -0.74540308     -1.88607029      1.33934820
  H      0.05442574     -3.19460233     -2.37400539
  H      3.94517920     -3.75319565      4.04326082
  O      0.02611576     -0.01379476      3.31687452
  H      2.59678730     -0.83837622     -1.34603595
  H      5.02502082     -4.80810010      4.39226513
  O      0.30850311     -8.35966672      1.56324928
  H      3.57886405     -2.06724318     -1.58177784
  H      1.83370756      0.99836822      0.26454677
  O     -0.52222971     -7.49453397     -2.38184096
  H      2.07434682     -2.40331103     -0.08855046
  H      0.80153121      0.40753588     -0.71494162
  O      4.55953889     -4.40851564      3.66333542
  H      2.16193872     -3.42022931      1.11083217
  H      2.95763971     -5.36820480      0.00229219
  O      1.74009046      0.60555472     -0.61082308
  H      1.22936161      1.05385148      2.57424641
  H      3.72276513     -4.76280164     -1.18828984
  O      3.03731710     -5.40126224     -0.96491694
  H      1.96707505      2.40898209      2.46141676
  H      4.85965190     -1.92887305      1.76077847
  O      5.37766667     -2.69942309      1.48905547
  H      1.07197081     -7.91357116     -1.39421952
  H      5.27891154     -3.33533201      2.20643076
          69
 Energy    -248.14256341549029     
  O      3.22582317     -4.99838634     -3.18072432
  H      3.04610248     -4.28341697     -3.80281123
  H      2.11653117     -8.11205059     -0.23992950
  O     -1.18214165     -6.75569446      0.76127954
  H      2.37943669     -5.45163124     -3.05716571
  H     -0.81596222     -3.19941265     -3.34255141
  O      1.51967521     -1.55203277      1.86541921
  H     -1.66658139     -5.96814798      0.48404832
  H     -0.12296812     -4.54396957     -3.67908372
  O      3.65519416     -3.23656012      1.41909797
  H     -0.80844280     -6.54529138      1.62729295
  H      4.01691602     -3.97211531     -1.83486015
  O      4.68776584     -6.93992900     -1.73647150
  H      1.73134643     -0.86907820      2.49770145
  H      5.33784237     -3.90163945     -1.04587911
  O      5.55365069     -5.32782494      2.05531889
  H      2.31892923     -2.09549109      1.76701298
  H      1.59673001     -4.99841115      0.42018414
  O      0.70706546     -1.37006998     -0.83904689
  H      3.98767967     -3.15225042      0.51456867
  H      2.45604035     -6.26037235      0.74724757
  O      4.11934172     -7.80446385      2.64100756
  H      3.11408956     -4.04403744      1.41259263
  H      0.78883422     -3.21644158     -0.84052924
  O      2.03629987     -7.29290883      4.54233784
  H      4.26265816     -6.34667830     -2.36940276
  H     -0.28351566     -4.24499946     -0.39957782
  O      0.68534459     -6.00654805     -2.70251117
  H      5.41223890     -6.43464937     -1.34773079
  H      1.31449718     -3.05086247     -4.48588761
  O      0.36868611     -8.20761013     -0.91571021
  H      5.03359163     -6.09234563      2.32824088
  H      2.26791209     -2.58022858     -5.60907344
  O      2.97177194     -7.89549992      0.15061339
  H      4.95961896     -4.56713316      2.05636239
  H     -1.74187806     -3.72159394      0.91503499
  O     -0.26526803     -3.64296350     -3.99750163
  H      0.94936681     -1.29459029      0.09184449
  H     -2.14108660     -3.43926741     -0.57482113
  O      4.53179742     -3.40791930     -1.24035060
  H      1.50707533     -1.23874714     -1.37242129
  H     -0.03945784     -2.68148419      2.26506439
  O      2.12723507     -5.42950766      1.10825251
  H      3.70738026     -7.93288193      1.76968286
  H     -0.50854815     -4.07110987      2.76191530
  O      0.62537186     -4.15861525     -0.72118493
  H      4.71592304     -8.53974832      2.76508822
  H      0.66079190     -6.32470571      3.70331881
  O      2.23518488     -2.80177023     -4.68228646
  H      2.75452415     -7.46337347      3.91650145
  H      0.89812638     -5.62776800      2.36459436
  O     -2.02697559     -4.13548330      0.08204469
  H      2.45070664     -7.21618031      5.39912719
  H      6.28326500     -5.28739799      0.46049620
  O     -0.81503008     -3.24403555      2.36396797
  H      0.66715541     -5.32776564     -2.00671213
  H      7.53039064     -5.17852056     -0.44924447
  O      0.21482809     -5.79281802      3.03352829
  H      0.55053714     -6.84574117     -2.24958614
  H     -2.24790304     -1.37266474     -2.20560336
  O      6.57761094     -5.20659414     -0.46388092
  H     -0.07780079     -9.03029857     -1.09917817
  H     -0.89305066     -1.73810785     -1.55947049
  O     -1.70238693     -2.11218989     -1.94834180
  H     -0.20592026     -7.71038934     -0.30492126
  H      2.75338653     -1.73090404     -3.20680053
  O      2.96169732     -1.33644615     -2.35008056
  H      3.58109137     -7.63631642     -0.55928031
  H      3.63420045     -1.90526516     -1.95335117
          69
 Energy    -248.14256107527319     
  O     16.32533512     10.51376846    -16.79649541
  H     15.51424012     10.90865676    -16.45519647
  H     18.39626912      5.64948184    -12.66104146
  O     15.70105048      5.06873347    -14.03408057
  H     16.62342560      9.86390315    -16.13690732
  H     19.70780234     10.04954925    -16.84425340
  O     18.44400640     13.55112359    -11.24129195
  H     16.29709542      5.19510795    -13.27986743
  H     20.86031427      9.42079790    -17.65973533
  O     19.94583366      8.29448789    -14.48638185
  H     16.24456173      5.19833918    -14.82076532
  H     18.07809087      8.60838784    -14.70077907
  O     13.64291165      8.53164878    -16.12934993
  H     18.86631401     12.83159739    -10.73809064
  H     16.59505012      8.63337641    -14.18909278
  O     16.88426279     10.24832803     -9.06631152
  H     18.87454662     14.36053079    -10.98100499
  H     13.68429986     10.24520251    -15.79525269
  O     15.44097492      8.74784306    -12.79676592
  H     20.12431807      8.52314791    -15.40767815
  H     13.05567052     11.64589618    -15.99632640
  O     18.06222946     12.01680871    -13.58285030
  H     19.97430389      7.33258690    -14.40065938
  H     17.21961087      8.80314420    -10.20964425
  O     19.60345289      5.54288326    -14.23141536
  H     13.66423967      7.88728322    -15.41092572
  H     18.12577482      8.75831770    -11.45761355
  O     13.69950995      6.82060195    -13.84800547
  H     14.25640004      8.23047131    -16.80766858
  H     18.65261996     10.94778219     -9.50512038
  O     17.52805467      6.00920213    -15.95814556
  H     16.46926259     10.29141891     -8.20907281
  H     19.55780637     10.76233656    -10.73401977
  O     17.60383812      5.65764693    -12.11250488
  H     16.47615292     10.94544760     -9.61066537
  H     19.70177645      9.30149504    -13.02772690
  O     20.09444733      9.20344971    -17.13386688
  H     14.80658342      8.05285577    -13.00903137
  H     18.85362492     10.57625880    -12.78778619
  O     17.15319478      8.60489754    -14.97706543
  H     16.03219268      8.45283773    -12.09085060
  H     15.59745749     12.03874295    -11.53328831
  O     13.83226876     11.20048217    -15.66893236
  H     18.23877375     12.66840875    -12.89237415
  H     16.70276644     12.83443537    -10.81658322
  O     17.45125261      8.25918441    -10.97271402
  H     17.11192378     11.83600051    -13.55593075
  H     18.83621018      7.92999979    -17.96212717
  O     19.39870740     11.34058570     -9.97442949
  H     18.88203639      5.59097903    -14.88293243
  H     17.38298585      7.62232788    -18.40315451
  O     19.28429042      9.83513760    -12.33871150
  H     20.06309548      4.72189962    -14.38741860
  H     14.75646133     11.50534693    -14.05346804
  O     15.94825399     12.25347160    -10.65912087
  H     14.38031815      6.12742261    -13.93230249
  H     15.33104922     10.48289079    -13.05324622
  O     18.26002042      7.23177975    -18.29644747
  H     12.91665954      6.39859473    -13.50509813
  H     18.74118365     11.73400792    -15.33464007
  O     15.33403751     11.42472108    -13.28670032
  H     17.81804398      6.20683917    -16.85879196
  H     17.98828965     11.30182973    -16.59674938
  O     18.87749635     11.46229543    -16.25102763
  H     17.27180062      6.86909731    -15.59307415
  H     15.20609929      8.61485474    -19.19267949
  O     15.60677984      8.37816782    -18.35870859
  H     17.61561764      6.48621368    -11.61736340
  H     15.86973056      9.21051156    -17.93072834
          69
 Energy    -248.14252616239239     
  O     20.83365049     11.84958237    -18.82978218
  H     21.15665297     12.71827946    -18.52755059
  H     17.68968849     12.63708260    -18.67386857
  O     16.22615879     17.72202034    -14.51400473
  H     21.47178861     11.51866988    -19.45529548
  H     20.50010792     18.20318761    -18.27795609
  O     22.42015223     14.68485348    -15.26346222
  H     15.84775708     18.59468096    -14.58330431
  H     19.62969366     17.08793055    -17.68222192
  O     14.17704345     13.49643643    -13.70634542
  H     16.19922023     17.33586991    -15.40674781
  H     14.91170310     11.78697469    -13.49335858
  O     16.86154425     11.73886546    -17.25667190
  H     21.98363763     15.54646100    -15.12620878
  H     15.33605127     10.51102924    -14.27361362
  O     17.69777599     10.41536687    -12.21235457
  H     23.31840650     14.77981413    -14.95926319
  H     20.85649470     17.41723478    -15.82407494
  O     15.82430308      9.52559892    -15.86110373
  H     13.23880642     13.65237762    -13.63675234
  H     20.36310437     17.06947771    -14.40119349
  O     21.47433483     14.30172128    -17.89883260
  H     14.61932081     14.24878269    -13.27283944
  H     18.54447760     12.06032365    -12.03920649
  O     18.79525441     15.47726808    -17.80839627
  H     16.43961351     12.49899415    -16.82966660
  H     19.59026055     12.88900874    -12.80682763
  O     15.48561812     15.61916920    -12.69848058
  H     16.42490808     10.95221316    -16.90938284
  H     18.86910273      9.85868632    -15.30551079
  O     20.42024791     12.89474313    -14.43315740
  H     16.81927387     10.62037652    -12.58099047
  H     18.26033315      9.65274577    -13.89292740
  O     18.28891993     13.17761585    -19.20676436
  H     17.55543577      9.81656447    -11.48352620
  H     15.87456519     15.60405688    -16.70953094
  O     20.14356514     17.87805458    -17.45434483
  H     16.70511255      9.33740082    -15.48742246
  H     16.99010678     16.35477725    -17.44005365
  O     15.32499446     10.92045874    -13.39998201
  H     15.45685212      8.68970220    -16.13512981
  H     17.91020174     17.31523794    -13.83831234
  O     21.12989382     17.01938643    -14.98586697
  H     21.88148723     14.44177186    -17.03491254
  H     18.53026004     16.42627746    -12.71691173
  O     18.99297575     12.91443746    -12.04714979
  H     20.65001356     14.80076945    -17.89159235
  H     18.13332367     15.42282588    -10.43223842
  O     18.30124343      9.27815873    -14.78161973
  H     18.68095621     15.17731047    -16.89362932
  H     18.33161415     14.42700874    -11.59924274
  O     16.17381178     16.49326646    -16.94926976
  H     18.56121188     14.73738804    -18.38932642
  H     18.59638333     11.45388774    -16.68761493
  O     18.72553623     16.88815471    -13.54339267
  H     16.29195092     15.48331856    -12.18513412
  H     20.02994649     11.30093998    -17.24411354
  O     17.97080523     15.30151733    -11.36367246
  H     15.66002703     16.35836660    -13.29315561
  H     18.52090871     15.42419371    -14.63253472
  O     19.50350378     11.22392227    -16.43894221
  H     20.21019710     12.26254768    -15.13539445
  H     19.06709509     13.99822412    -14.91170956
  O     18.40460034     14.64341864    -15.18789152
  H     21.17835606     13.42524868    -14.70896031
  H     15.23336120     13.75597052    -15.19841241
  O     15.84943644     13.91531472    -15.92253501
  H     19.11189273     12.67719812    -19.25607786
  H     16.71014405     14.14377724    -15.53570087
          69
 Energy    -248.14247528938091     
  O     13.20351193     12.23907132    -14.33319617
  H     14.13065647     12.48507535    -14.24021750
  H     12.88502491      6.99257812    -16.71171631
  O     14.34970531      6.47003941    -14.02475865
  H     13.13550539     11.73978509    -15.15942323
  H     18.81688124      4.15272751    -14.83083064
  O     18.10020350      8.46575729    -12.37684542
  H     14.51204735      7.37089392    -14.34392909
  H     18.48764988      5.64268451    -15.03002799
  O     18.95606250      9.51453069    -14.77599928
  H     13.78514215      6.57112712    -13.24794012
  H     17.77033429     10.64734533    -15.76194880
  O     11.51290063      8.28551605    -16.33547383
  H     17.65528286      7.61160657    -12.46178466
  H     16.77754209     11.79858903    -15.51480042
  O     15.59162978      8.34465757     -9.25470442
  H     18.27743090      8.61230547    -11.43559596
  H     15.48695870      8.60303331    -15.68409775
  O     12.98501066      7.07579752    -11.67071777
  H     18.69209451      9.15126100    -13.91401162
  H     14.30273327      9.53981976    -15.35913281
  O     15.95519513     10.17882295    -12.73424823
  H     19.88050435      9.74155190    -14.69949801
  H     12.27107746     11.50883624    -13.08024964
  O     15.97596899      7.79094558    -17.28751014
  H     11.45639430      8.31540159    -15.36304635
  H     11.07333486     11.61420166    -12.10558754
  O     15.16979392      5.75102808    -10.39063634
  H     10.63001829      8.11616939    -16.65417062
  H     11.45090039      9.35447220    -13.23104298
  O     18.37092686      7.03304465    -16.09626908
  H     15.43978606      7.43409466     -9.53692904
  H     11.77978606      7.87291516    -12.97441475
  O     13.65230403      6.41030955    -16.76870671
  H     14.92676137      8.87679552     -9.70955520
  H     17.36811874      5.54645033    -13.17230703
  O     18.50051024      4.92550889    -14.37186396
  H     13.25500900      7.97786618    -11.44020679
  H     15.93158275      6.14174167    -13.20534263
  O     17.15451817     11.24250930    -16.20727162
  H     13.55662578      6.49949810    -11.14937348
  H     17.29696598      8.75318532     -9.46963970
  O     14.98157192      8.98628725    -14.95476404
  H     15.59689058      9.76252128    -13.53533770
  H     18.69257295      9.00158269     -8.86992077
  O     11.76681812     11.02917842    -12.39841837
  H     16.72730974      9.65684823    -12.48459238
  H     16.09776415     10.75233837    -17.50351753
  O     11.40500140      8.47527447    -13.62721004
  H     15.79163886      8.59389358    -17.78826071
  H     15.70041258     10.87089151    -18.99511693
  O     16.71509297      6.03260454    -12.64723434
  H     15.16649474      7.25735163    -17.25412290
  H     13.08799274     10.19854157    -11.36842655
  O     18.22729242      8.92323741     -9.69770707
  H     15.78960538      5.80478949    -11.13812374
  H     14.58585277      9.88625706    -11.59876065
  O     15.47077218     10.43397579    -18.17952689
  H     15.29642915      4.89356259     -9.99249964
  H     16.42623781     13.29940532    -13.43572224
  O     13.82423022      9.66777820    -11.04141370
  H     17.56644339      7.21331324    -16.60159939
  H     16.04712270     11.79957516    -13.42346595
  O     16.01765697     12.61294202    -13.95722784
  H     18.63768281      7.87799996    -15.71779162
  H     12.58258624      9.77711506    -16.61387841
  O     13.19801536     10.51434167    -16.50364925
  H     13.85060181      6.16713463    -15.85413387
  H     13.85740981     10.48503718    -17.20899618
          69
 Energy    -248.14211747794587     
  O     11.40331877      3.65032596    -12.62574833
  H     11.41384273      3.24415141    -11.74953828
  H     17.90587996      6.70849795    -14.10686608
  O     17.76140422      3.94854818    -11.63874296
  H     11.26597518      4.58948029    -12.45673211
  H     12.94045074      9.38018051    -12.68086061
  O     14.48033206      7.97896390    -10.24440402
  H     17.11730832      3.26411392    -11.85088502
  H     13.16231830      8.84086231    -11.26041149
  O     14.07144349      9.84023189    -14.13760995
  H     17.76970642      4.57195854    -12.37760199
  H     14.28047931      4.81613157    -11.08170917
  O     17.97799669      5.65517860     -9.54601896
  H     14.16389254      7.77838235     -9.35576180
  H     14.49818538      5.48024548    -12.48541885
  O     14.42684308      3.28596734    -10.05057407
  H     14.40500961      7.14615559    -10.74023811
  H     14.25568972      3.70518810    -14.08772947
  O     15.74260234      1.94462834    -12.11565848
  H     13.97917085     10.71954453    -14.49615211
  H     12.98706686      3.10153654    -13.43140242
  O     16.10209412      7.52442088    -17.15609826
  H     14.99483917      9.75496902    -13.84063784
  H     14.23639644      6.20246448     -7.92083287
  O     11.65721744      2.89629089     -9.87425518
  H     18.82234974      5.52418546     -9.12205164
  H     13.45275701      7.12276217     -6.95154607
  O     16.65920580      9.49370882    -13.40835291
  H     17.91173432      4.98230061    -10.24778180
  H     11.31589268      6.00098924    -10.15002146
  O     18.12437718      8.03639776    -15.40311056
  H     14.87218082      2.70393473    -10.67927605
  H     12.07745354      6.01214547     -8.80155852
  O     17.57996016      6.13965743    -13.39921641
  H     13.50279529      3.01280426     -9.98211715
  H     17.48240094      7.16781208    -10.55760409
  O     12.47208814      9.04850662    -11.90584473
  H     15.96283631      1.03866049    -12.31401198
  H     16.19567900      7.97415469    -10.81174025
  O     14.15891424      5.62487551    -11.59289619
  H     15.06584427      2.21815523    -12.76158723
  H     16.36181558      5.32247727     -8.59626232
  O     13.85406882      2.87531426    -13.79399032
  H     15.95488655      7.04823289    -17.96946535
  H     15.16714884      4.36335403     -8.77259542
  O     13.50409134      6.84393078     -7.86164013
  H     15.25611237      7.50613584    -16.67991280
  H     11.71120211      7.44142445    -12.00535707
  O     11.41420424      5.53224117     -9.31311121
  H     11.52335642      3.82318524     -9.60214111
  H     12.47354029      6.10305407    -11.89474594
  O     17.07756870      7.79491218    -11.16995123
  H     11.07785538      2.36407988     -9.33597638
  H     14.66228282      6.07196050    -14.68689764
  O     15.50877030      5.07942594     -8.21849119
  H     16.88421875      9.04392004    -12.58416421
  H     15.97887206      5.58493072    -14.00937323
  O     11.58933170      6.47976434    -12.03642455
  H     17.20665209      9.09142703    -14.09321991
  H     11.47180921      6.34946479    -13.90864602
  O     15.06107108      5.34451286    -14.19360948
  H     17.43788884      7.86284514    -16.07041206
  H     11.36929325      5.19078822    -14.89995198
  O     11.55397050      6.12853229    -14.84709898
  H     18.89747684      8.33826256    -15.87265282
  H     12.98406863      7.03727560    -15.44699149
  O     13.84649018      7.45510792    -15.58402370
  H     17.37371333      6.71838030    -12.65032036
  H     13.85605750      8.28510015    -15.08890380
          69
 Energy    -248.14205450090429     
  O     -2.48738224      4.85332982      4.57445291
  H     -2.05359658      4.66534482      3.73084229
  H     -4.21770441      4.68558499      4.50652019
  O      1.15538507      1.33990287      0.33122460
  H     -2.16157526      4.18570515      5.19082610
  H     -1.93331828      3.95855361      0.49813127
  O     -1.07998498     -0.53696993      3.32082121
  H      0.62462733      1.65850061     -0.40912225
  H     -3.19728754      3.67629927     -0.35552202
  O     -4.01041824      0.62312628      0.42479122
  H      0.91255075      0.41428983      0.45919045
  H     -5.79814098      3.60981312      2.93544024
  O     -2.99085549     -2.84005966     -1.10839122
  H     -1.65475155     -1.30443245      3.41535738
  H     -6.21406952      2.16488701      2.57213148
  O     -0.01980548     -1.17939116      0.85329847
  H     -1.65541335      0.21576785      3.10724940
  H     -0.38250948      3.63125269      2.33304006
  O     -6.18640699      0.55826109      3.45990700
  H     -4.40170598      1.42786150      0.06386688
  H     -1.80501293      3.02039939      2.41087181
  O     -1.73842384      2.61289106      6.21646995
  H     -3.28244168      0.35112865     -0.15095350
  H     -5.68701487      3.42243929     -0.87040903
  O     -1.84272502     -0.23358211     -1.05522427
  H     -2.38579351     -3.22762834     -0.46467744
  H     -5.41086238      3.16378991      0.62988934
  O     -4.92835364     -1.49347634      1.91263944
  H     -2.65943708     -1.94824059     -1.27169030
  H     -3.61435620     -2.28905024      2.73119182
  O     -0.60707235      2.17397923     -1.76455356
  H     -0.24062182     -2.11644710      0.80941027
  H     -3.22846164     -3.20003370      3.91775502
  O     -5.15672901      4.42713091      4.52132547
  H     -0.30133894     -0.89050601      1.73473396
  H      1.30719390      2.32912752      1.74340289
  O     -2.24475938      3.81788430     -0.40634537
  H     -5.55435714      0.78224986      4.15470330
  H      2.15594962      3.36303322      2.51874627
  O     -6.05594099      3.04427085      2.19894684
  H     -5.84486058     -0.22827437      3.01765664
  H      0.67676679      1.96467488      4.05113622
  O     -1.31915371      3.84277519      2.23919654
  H     -1.44906336      2.65110496      7.12429333
  H     -0.09065360      0.66054533      4.34934261
  O     -5.01273154      3.13618470     -0.26060279
  H     -1.00956835      2.21140152      5.71114548
  H     -4.64405420      2.68413604      4.98475225
  O     -2.86897367     -2.74660237      3.15930499
  H     -1.20809607     -0.55259215     -0.39767439
  H     -3.39709644      1.98785036      5.57467503
  O      1.32395371      2.89744384      2.53427545
  H     -1.45095420      0.55751134     -1.44594687
  H     -4.64663282     -3.14992465     -0.52085944
  O      0.24035341      1.47202088      4.75694838
  H     -5.26807937     -2.15386536      1.29103742
  H     -6.11909367     -3.53365363     -0.75273920
  O     -4.21424724      1.82304862      5.08642933
  H     -4.64350641     -0.73964599      1.37432419
  H     -1.84779102     -3.44851545      1.79151042
  O     -5.49872084     -3.28689865     -0.07231011
  H     -0.35123986      2.59099258     -2.58247314
  H     -1.01977288     -4.61742510      1.21245058
  O     -1.28839496     -3.71693336      1.04554459
  H     -1.19719380      2.79707756     -1.30203841
  H     -3.25421071      1.26903081      1.93302923
  O     -2.74760017      1.53266801      2.71229308
  H     -5.62093129      5.09945719      5.01239243
  H     -3.35457250      1.63958386      3.45553621
          69
 Energy    -248.14204306931256     
  O     16.09113988      9.84267147    -15.26245937
  H     16.91868523      9.34106144    -15.22055226
  H     14.28836217     10.55320416    -12.23896110
  O     15.37038764      6.78982714     -9.28470725
  H     16.26995423     10.76647093    -15.47769357
  H     13.22598903     10.74448039    -10.44735794
  O     16.33013078     12.59410782    -15.60956157
  H     15.56728221      6.79379776    -10.23794259
  H     12.63785908     11.07108335     -9.05540439
  O     12.77253998      7.66526071    -10.01443339
  H     15.80176526      6.02294507     -8.91734665
  H     19.07000110      3.76391230    -14.40113861
  O     13.76409767      8.58318553    -15.85624441
  H     16.08081987     13.21455098    -16.28846218
  H     17.91690665      4.77712563    -14.49155992
  O     18.28964987      8.27124424    -14.85848253
  H     15.80377104     12.81264408    -14.81738607
  H     15.79410325      8.00190598    -12.06247385
  O     20.20194961     10.23587172    -14.25930263
  H     12.81451527      8.60824784     -9.81542104
  H     15.31247385      6.67893826    -12.69044165
  O     18.53454596      6.76948648    -12.49116355
  H     13.58515837      7.28633598     -9.65688200
  H     17.62714524     13.91471890    -10.98453738
  O     12.01372815      6.76435504    -12.45608604
  H     13.66900612      8.52255898    -16.80341184
  H     17.47590683     12.39129412    -11.20817173
  O     15.05171779     13.10101500    -13.29493704
  H     14.59041639      9.06695081    -15.68551865
  H     15.99524400      9.82959449    -13.41900894
  O     11.97712180      9.34020970    -13.75164981
  H     19.00994437      8.91278092    -14.80183377
  H     16.51656005     10.11513320    -11.95537454
  O     13.45146081     11.04041254    -12.17441844
  H     18.35393867      7.74863387    -14.04619764
  H     17.96477199     12.57245140    -14.66801812
  O     13.18992904     10.44875539     -9.52183200
  H     21.06930491     10.48090884    -14.57033289
  H     18.33420711     12.79351592    -13.19306646
  O     18.57558848      4.39612052    -13.88654309
  H     19.68985999     11.06008148    -14.17717660
  H     18.39233220     10.20433608    -10.89165461
  O     15.82403880      7.03829571    -11.95580485
  H     17.60266437      6.79668530    -12.23329945
  H     17.10594273     10.35101139     -9.97324073
  O     17.36241260     13.26292622    -11.62808713
  H     18.68921372      5.89498209    -12.87521536
  H     14.07319180      7.11273178    -14.77681621
  O     15.81430285      9.70731927    -12.47908284
  H     12.28492862      7.07537383    -11.57414137
  H     13.45208842      6.37253217    -13.58321245
  O     18.68011870     12.46138623    -14.03021707
  H     11.22640017      6.24133367    -12.32824471
  H     19.35455376      8.28367283    -11.81364107
  O     17.63234142     10.76464755    -10.67361371
  H     14.40089638     12.50457238    -12.90399275
  H     19.94054528      9.55100026    -12.46164007
  O     14.23393212      6.39243125    -14.15200644
  H     15.75743549     13.21311807    -12.64481487
  H     15.77842707      8.63197728     -8.93429536
  O     19.63819024      9.18824146    -11.62102063
  H     12.49815031      9.15974741    -14.54382096
  H     14.98160313      9.94087285     -9.05895815
  O     15.87332149      9.59181363     -8.93811714
  H     11.89147602      8.48991120    -13.30338178
  H     15.89939546      5.93347892    -15.03393051
  O     16.77159672      5.81405387    -15.42917880
  H     12.82030009     10.55323654    -12.72371917
  H     17.20475501      6.67573945    -15.42508266
          69
 Energy    -248.14197825601434     
  O     13.74892810      9.82629501    -12.81346682
  H     13.58357837      9.43373222    -13.68108346
  H     13.57514893      4.82274998    -13.31758248
  O     13.82036945      3.36904894    -10.85042894
  H     13.19834592      9.33554280    -12.18862297
  H     14.89962169      6.61075500    -12.64134208
  O     16.04781330      1.69424204    -10.99810283
  H     13.64963329      3.44868129    -11.80006999
  H     13.43657717      6.96412457    -12.25433354
  O     16.04762869      7.48719718    -15.97002853
  H     13.02624591      3.68566917    -10.39880803
  H     15.41259403      9.79048275    -12.35843222
  O     13.46428707      8.11406417    -15.05027430
  H     15.19871601      2.14385208    -10.88415697
  H     16.54136914     10.43966282    -11.52576265
  O     17.61749267      9.36008398    -14.64130643
  H     16.70030039      2.25623284    -10.56506894
  H     11.56205869      6.27228446    -17.42696033
  O     11.71283846      4.73296457     -9.70878094
  H     16.64522361      8.18020580    -15.65650997
  H     12.85612031      5.82212488    -16.71383744
  O     17.94425034      3.70657687    -10.10767263
  H     15.16027432      7.78113956    -15.72031159
  H     11.71828679      4.52368379    -13.95026077
  O     16.92218516      1.36796745    -13.55180401
  H     13.63241952      7.49426903    -14.32249241
  H     11.21398173      5.55175645    -14.97156610
  O     18.54280630      3.59614680    -12.75821366
  H     12.84439525      7.66130951    -15.63378821
  H     16.21638251      4.15315780    -14.75375257
  O     17.23463539      5.59493395    -14.26646034
  H     18.56175500      9.35626362    -14.49687097
  H     16.06525839      2.61802481    -14.65777064
  O     13.39990796      3.88750254    -13.51545184
  H     17.21747600      9.52158651    -13.77574129
  H     14.86445145      4.49692970    -16.39419667
  O     13.97694432      6.47663184    -12.88964890
  H     11.17799456      5.16836603    -10.38418571
  H     15.12918875      5.97320831    -16.75505004
  O     16.34621594      9.69901232    -12.09353637
  H     12.22627365      5.43188478     -9.28747637
  H     10.54194895      5.86341197    -12.61037376
  O     11.99123917      6.24933145    -16.57576364
  H     18.73672533      3.53550751     -9.60593312
  H      9.38263917      6.33967310    -11.70752738
  O     10.99810055      5.14615175    -14.12394328
  H     18.20685567      3.72500087    -11.04579189
  H     16.52965308      7.86020084    -11.82724677
  O     15.66910177      3.40820526    -15.04441514
  H     17.12359732      0.45152032    -13.72039356
  H     16.28758880      6.45514497    -11.13696048
  O     14.50681457      5.24648154    -16.88592862
  H     16.55244321      1.41306742    -12.65184961
  H     11.62450566      7.47901737    -11.29739511
  O     10.33122761      6.24640034    -11.74004475
  H     18.26003801      4.30510297    -13.34983765
  H     12.78819050      7.67201149    -10.27468543
  O     16.55882114      6.90299304    -11.94910360
  H     18.12949563      2.79216162    -13.09731622
  H     13.74500122      7.00962715     -7.92486133
  O     12.43288687      7.98008538    -11.11835401
  H     16.91157113      6.20916593    -14.93831799
  H     14.36705048      6.27384194     -9.13241214
  O     13.59189453      6.78027009     -8.83833782
  H     17.09116810      6.04337709    -13.42013323
  H     16.46862033      4.77159526     -9.82831025
  O     15.63148139      5.24883334     -9.89981154
  H     14.11490843      3.60310286    -14.09775763
  H     14.99740937      4.62022264    -10.27951800
          69
 Energy    -248.14191523361399     
  O     10.27555051     12.90825939    -12.37971941
  H     10.46253836     12.75332494    -13.31479283
  H     16.98005975     10.27296231    -11.99632178
  O     13.28823018      7.56890649    -16.74061543
  H     10.44618410     12.07287706    -11.93216579
  H     14.27974844      7.92895824    -12.59479178
  O     11.50160120     10.60565130    -10.94444004
  H     12.37150079      7.88210500    -16.63599728
  H     15.27913635      8.25513307    -11.48710357
  O     13.98659624      8.65200424    -14.24931362
  H     13.24530049      6.71799217    -17.16744426
  H     13.46113377     14.91538467    -12.03175163
  O     12.56407165     12.31263055     -8.98542882
  H     11.69286427      9.73105415    -10.57537737
  H     14.04112940     16.09341789    -12.84738066
  O     14.08219359     10.24154309    -17.41989268
  H     11.73890221     11.25193409    -10.26157102
  H     13.14196841      7.94697855    -10.58368604
  O     11.45339245      9.66333509    -13.66835877
  H     14.55890384      9.40000657    -14.46906705
  H     11.94646161      7.30980349     -9.83396742
  O     13.43677927      9.89025781     -7.97870064
  H     13.82870305      8.16493992    -15.06778864
  H     17.25930515     12.37205093    -12.84184029
  O     14.08577014     11.30215966    -11.86327691
  H     12.71850183     11.50730739     -8.46799311
  H     18.52833655     11.77967021    -13.49374898
  O     16.54326052     13.74281149    -11.99892691
  H     13.45502812     12.64927983     -9.15293252
  H     11.28857230     11.25215237    -14.50529183
  O     13.79760348     12.83860127    -14.18063480
  H     13.94085825      9.29219367    -17.31584826
  H     11.25256068     11.96324250    -15.87719582
  O     16.35702077      9.83391720    -11.40715054
  H     14.68811263     10.49845139    -16.71325232
  H     14.83445631     12.28372412    -10.50994784
  O     14.48096588      7.74414082    -11.66649159
  H     11.35850440      9.87916646    -12.73514844
  H     15.66061964     12.00154619     -9.23552653
  O     14.13829952     15.15824983    -12.68976209
  H     12.35368064      9.32844158    -13.79692877
  H     16.31204862     11.03781375    -14.54119795
  O     12.38555114      8.13953599    -10.00136727
  H     13.10939074      9.19548031     -8.56235720
  H     14.91881717     11.63057949    -14.83081062
  O     17.62820701     11.57161507    -13.25704521
  H     14.38721899      9.94328576     -8.13786643
  H     12.47842852     10.94620189    -17.55186923
  O     11.24130282     12.12462016    -14.92600046
  H     13.19983986     11.04783984    -11.58380595
  H     11.36373293     11.55900022    -18.43363168
  O     15.24927684     12.71212899     -9.74292956
  H     13.99326760     11.84645624    -12.65525586
  H     16.36362524     10.03071852     -9.62310865
  O     15.50219424     10.88400926    -15.04003319
  H     15.83247806     14.31379784    -12.31307446
  H     16.99506742      9.96547301     -8.21272237
  O     11.54546129     11.22583211    -17.55912103
  H     16.27945033     13.49914593    -11.10129245
  H     12.19998792     13.87122853    -10.19004106
  O     16.21988365     10.25370742     -8.68819969
  H     13.88196425     13.71654332    -13.78858036
  H     11.44544710     13.99485281    -11.52139600
  O     12.17089006     14.37903719    -11.00629899
  H     12.88203330     12.71251577    -14.46493673
  H     10.92848846      9.56260971    -16.78581423
  O     10.86742616      8.72639905    -16.30624148
  H     15.50229613     10.25802052    -11.59366227
  H     10.85290773      8.95830356    -15.36876851
          69
 Energy    -248.14188432952727     
  O     13.22043743     13.44356327    -10.28908789
  H     12.71103096     12.62938989    -10.18724056
  H     14.51344936     11.91079942    -13.20819944
  O     15.73757264     13.70759912    -16.39587065
  H     13.82040274     13.49898963     -9.53235291
  H     17.75628555     15.92892215    -15.24450547
  O     15.75923579      8.94731836    -10.74430491
  H     15.56284678     13.81487623    -17.32828701
  H     16.84042554     14.68906592    -15.32998521
  O     16.24876650     15.37341900    -12.16873382
  H     15.82480845     12.75183601    -16.24236046
  H     13.32695656     13.11919160    -14.42576650
  O     15.97591224     11.02858306    -15.81862634
  H     16.05491540      8.14376284    -11.18840649
  H     14.09314424     14.09773288    -15.30451963
  O     16.54687906      6.79656781    -12.38931952
  H     16.42039857      9.63003779    -10.93741362
  H     20.17401960     13.03314106    -10.40557210
  O     17.72129643      8.01197151    -14.51577485
  H     16.63540322     15.43192345    -13.04924608
  H     18.71742751     13.55161299    -10.47595926
  O     15.36367751     12.74597957    -11.91652077
  H     15.30328984     15.58623004    -12.23332428
  H     12.42444734     10.32975275    -10.77448133
  O     13.33156831      9.47861822    -12.04235299
  H     16.74014093     10.95712022    -15.22558841
  H     11.21191935     10.52492283     -9.83623871
  O     18.08723755     10.75873376    -14.07576724
  H     15.74630458     10.13028545    -16.08811043
  H     15.09121316      7.77266141    -16.90574818
  O     19.30163022     13.19624202    -13.79476436
  H     17.04861309      7.20968251    -13.11497919
  H     14.88131640      8.02904685    -15.39576766
  O     14.00015257     11.40930731    -13.86228373
  H     16.96053760      5.95596796    -12.21248974
  H     13.71689961     10.60230411     -9.01523029
  O     17.42066333     15.19219354    -14.73781211
  H     18.01704086      8.92439363    -14.39409591
  H     15.07532913      9.92727660     -9.27445019
  O     13.35046890     14.04663741    -14.69448502
  H     17.03871112      8.04746440    -15.19627192
  H     16.70236095     14.04857683     -9.32245364
  O     19.37188380     12.98067909    -10.91801041
  H     14.60343480     12.90474147    -11.34140674
  H     17.01626931     14.92847738    -10.55989637
  O     12.08794102     10.85091288    -10.02551752
  H     15.74806477     13.61507922    -12.08995381
  H     16.66725432     11.63867753    -11.52054971
  O     15.37613234      8.32344630    -16.18146168
  H     13.49833929     10.14083624    -12.73128477
  H     18.16602049     11.56498754    -11.13569334
  O     14.63287626     10.57588496     -8.71258692
  H     14.17425735      9.30356891    -11.59699762
  H     13.36494906     15.07333058    -13.15025605
  O     17.42013379     14.47116370     -9.80792425
  H     17.79998965     10.72431426    -13.15328723
  H     13.23786404     14.92219913    -11.61453198
  O     17.40762427     11.02484680    -11.38724183
  H     18.62511633     11.56085309    -14.13836837
  H     14.91598966      7.10609504    -13.35130103
  O     13.53023489     15.52422846    -12.30887459
  H     18.72296296     13.91965617    -14.06020532
  H     13.71723750      8.06759623    -13.30091035
  O     14.19651524      7.46751356    -13.88450724
  H     19.36687934     13.23059293    -12.83161455
  H     15.25015760     13.38629392     -7.41231665
  O     15.26515657     13.20023774     -8.34824092
  H     14.61124767     11.20213906    -14.57930409
  H     15.14281866     12.23879740     -8.44156142
          69
 Ord_Energy   -248.141861    
 O   -1.15598857       4.79641199       8.00656223    
 H   -1.92152965       5.03584242       8.56221962    
 H  -0.378651410       4.88749313       8.54986191    
 O   -3.45230150       5.38074303       9.29601574    
 H   -3.93934417       5.99862480       8.73384666    
 H   -3.95261002       4.55399609       9.28674984    
 O   -5.73082542       1.71775544       3.43958998    
 H   -6.37593412       1.64301860       4.15387440    
 H   -4.86276293       1.80940747       3.85042620    
 O   -4.44805717       9.54464531       6.22665405    
 H   -4.43623924       10.4156532       6.61344099    
 H   -3.56173468       9.38675308       5.85157156    
 O   -2.12414527       8.84515572       5.03501129    
 H   -2.05132008       7.91719103       5.29813099    
 H   -2.27035069       8.84935760       4.08056545    
 O   -6.19832325       6.01086855      0.540104926    
 H   -6.39329386       5.20746136       1.05504334    
 H   -6.44296551       5.82210445     -0.362508893    
 O   -9.17335701       6.59246111       4.52322912    
 H   -8.67910862       6.95605373       3.76748157    
 H   -9.98368645       7.09187794       4.58165979    
 O   -2.97283626       8.86295795       2.31397653    
 H   -2.68856263       9.44856930       1.61778235    
 H   -3.07221198       7.97919607       1.91519964    
 O   -5.37578154       8.52633667       3.74308825    
 H   -4.60000563       8.71792221       3.19954038    
 H   -5.20851231       8.91678715       4.60903025    
 O   -2.68170190       2.55725694       7.07174969    
 H   -3.40329504       2.58229804       7.71288872    
 H   -2.05767369       3.23628449       7.35293531    
 O   -7.92162418       1.78853238       5.30321932    
 H   -8.54241467       1.06600809       5.35081100    
 H   -8.36671543       2.50343561       4.81339169    
 O   -6.64161348       4.01923609       2.29936671    
 H   -6.29351664       4.63795280       2.96058989    
 H   -6.29959726       3.14674449       2.54318786    
 O   -8.98270893       3.81525040       3.83659792    
 H   -9.15662289       4.72197294       4.11302900    
 H   -8.28749847       3.87628531       3.16676664    
 O   -6.85648918       3.33252954       7.40789652    
 H   -6.99430037       4.23100567       7.08156538    
 H   -7.21297550       2.74341249       6.73241377    
 O   -3.07663655       2.08985305       4.44475985    
 H   -2.95913649       2.23369741       5.40060091    
 H   -2.48018456       1.38629830       4.20022202    
 O   -4.74640703       2.87624264       8.98734856    
 H   -5.02103233       2.28763294       9.68490314    
 H   -5.52935886       3.03219557       8.42794704    
 O   -5.43571854       5.71847248       4.10199022    
 H   -4.55247879       5.35514498       3.95835114    
 H   -5.39710855       6.66733599       3.92454934    
 O   -7.04645205       5.88729525       6.27289677    
 H   -7.86463928       6.19139051       5.86521101    
 H   -6.44696379       5.71000910       5.52891827    
 O   -7.68320704       7.61676788       2.46842623    
 H   -6.95438623       8.09218884       2.89169621    
 H   -7.27940416       7.12782812       1.74273133    
 O   -2.37637472       6.18303204       5.90582514    
 H   -1.82605112       5.73805380       6.56241560    
 H   -3.22069860       6.37159061       6.33921671    
 O   -2.90301967       4.76208162       3.58983397    
 H   -2.92061424       3.82140732       3.80697584    
 H   -2.59012699       5.23480749       4.37566614    
 O   -4.70540524       6.96584225       7.33682299    
 H   -4.67548990       7.89716864       7.08568478    
 H   -5.57250500       6.63026714       7.07171774    
 O   -3.44085097       6.40318394       1.34989929    
 H   -3.21339607       5.73776674       2.01345348    
 H   -4.34535074       6.23160839       1.06262159    
          69
 Energy    -248.14168660972121     
  O     10.31724505     12.60051297    -12.00004550
  H     10.39574360     12.36654633    -12.93158764
  H     16.65876251     10.61989846    -11.70516556
  O     14.29773199      8.67997016    -17.60336188
  H      9.99791282     11.82124834    -11.53024988
  H     14.74994342      7.93313606    -13.14958084
  O     11.30706941      8.89441389    -12.05155883
  H     13.33636051      8.83392336    -17.63738067
  H     15.51007038      8.31399222    -11.87510198
  O     14.57996592      8.89364501    -14.79064187
  H     14.50234564      8.05764371    -18.29559191
  H     12.99084679     14.89236522    -11.53832169
  O     14.52596988     11.52407800    -17.27770611
  H     11.79220940      8.30751090    -11.45712442
  H     13.45412851     16.13618205    -12.34068019
  O     11.80857789      9.27005127    -14.68111485
  H     10.61429479      9.32126957    -11.53156163
  H     13.69097101      7.55224734    -10.96628406
  O     13.48016217     10.81147252    -11.79732878
  H     14.99344430      9.76346875    -14.69560998
  H     12.97517815      6.67940655     -9.91318659
  O     11.86852425      9.86067056     -8.84358135
  H     14.59809423      8.68314400    -15.73291092
  H     16.76614815     12.72448232    -11.97463458
  O     15.62786153     13.62229780    -11.00240162
  H     14.56658106     10.58650447    -17.50331666
  H     18.22496005     12.52697538    -12.45168978
  O      9.65078892     10.33470851    -10.35581006
  H     15.02357874     11.61260784    -16.45469420
  H     11.26502393     10.99920474    -14.67986834
  O     13.45271940     12.83590538    -13.70678604
  H     11.51377474      9.00849636    -13.79808253
  H     11.18588157     12.17669376    -15.66442070
  O     16.08675912      9.97520942    -11.27235879
  H     12.76913999      9.15731730    -14.69330349
  H     13.58529573     11.61748769    -10.21134891
  O     14.89077899      7.66299298    -12.23316076
  H     12.73565987     10.21778176    -11.93880447
  H     14.45418685     11.57071415     -8.91679857
  O     13.61234792     15.20432269    -12.22371396
  H     13.42335471     11.52861800    -12.44291394
  H     16.33506590     11.70841782    -14.05914554
  O     12.99555502      7.55799877    -10.28415572
  H     12.47715653     10.60809010     -8.82473531
  H     14.85797451     12.02270010    -14.37424270
  O     17.34827814     12.15761559    -12.51302378
  H     12.35960705      9.11632773     -9.21211048
  H     12.84483635     12.05249607    -17.36415610
  O     11.05673868     11.94405347    -14.73588850
  H     15.04393937     14.26363489    -11.42700884
  H     11.76571038     12.85166214    -18.12896519
  O     13.71666725     12.03389978     -9.34301819
  H     15.09487857     13.19247199    -10.32617522
  H     16.03945640     10.23404411     -9.47074703
  O     15.62196064     11.50388070    -14.67327809
  H      8.84265358     10.25436369     -9.85651821
  H     16.29775944      9.89710344     -7.98993591
  O     11.88811874     12.22689186    -17.41914238
  H     10.38515557     10.21255187     -9.72766201
  H     12.48566072     13.44439015     -9.86025290
  O     15.84764735     10.51356521     -8.56104236
  H     13.44977285     13.70689135    -13.29237445
  H     11.37037711     13.58219182    -10.93691581
  O     12.01109134     14.08146010    -10.40578224
  H     12.57938823     12.65976726    -14.08176781
  H     11.59160389     10.29600056    -17.58560903
  O     11.66108881      9.34165444    -17.46329933
  H     15.17676378     10.21848383    -11.50827922
  H     11.54162439      9.19819782    -16.51287603
          69
 Energy    -248.14155898580898     
  O     11.13126937     11.26969391    -12.43257334
  H     12.05522508     11.21343971    -12.71273260
  H     17.19109274      4.98188929    -14.37075103
  O     13.68062479      6.99046232    -15.05180315
  H     11.09010102     10.79812255    -11.59035484
  H     15.17231239      7.57055084    -14.16572016
  O     18.12332998     10.42373345    -11.37526198
  H     14.17518984      6.63514100    -15.80074157
  H     16.02670076      8.70205183    -13.52019813
  O     17.94989263     10.14782354    -15.94894981
  H     13.21020470      7.78787334    -15.32992023
  H     11.21279642      9.48965684     -9.27805547
  O     12.41191248      9.43631604    -15.42323638
  H     18.66946223     11.03421862    -10.88800189
  H     12.17200470      9.17629282    -10.44913376
  O     12.72027498      6.35247283    -12.54477425
  H     18.68907740      9.66741121    -11.61688088
  H     18.30236772      5.60898830     -9.90756180
  O     16.44321099     10.53682309    -13.59432426
  H     17.29225751      9.67722863    -16.49591558
  H     17.55777426      5.81476014    -11.24633971
  O     16.12750993      8.79476462    -17.36618340
  H     18.42965876     10.72793236    -16.53307076
  H     10.49113649      8.24408999    -11.50475018
  O     14.16977875      4.16669789    -11.75361569
  H     12.91290848      9.83355433    -14.69448433
  H     10.09130964      8.25413208    -12.98955015
  O     18.56136303      7.69446423    -14.66571528
  H     11.48337892      9.46109141    -15.16305966
  H     19.12342687      7.48864794    -11.52075748
  O     15.49358342      6.02120722    -16.95329834
  H     11.82150521      6.70371894    -12.46469370
  H     19.31914249      7.97434453    -12.97711960
  O     17.46961970      5.17211283    -15.27605234
  H     13.00911528      6.49032968    -13.45799200
  H     15.74556850      4.80232233    -12.28851232
  O     15.96387372      7.74763322    -13.64151148
  H     17.04385711     10.60482494    -12.83985574
  H     16.27728538      6.14956893    -12.87760394
  O     11.27224528      9.47606857    -10.22946433
  H     16.97757482     10.50561604    -14.39842838
  H     16.84210021      9.24585344    -10.52426790
  O     18.05351064      6.27226003    -10.54581868
  H     15.95999828      7.85018956    -17.28153017
  H     16.82412319      7.73628503    -10.24617646
  O     10.32534693      7.66710386    -12.26095176
  H     15.28385301      9.20678476    -17.60091458
  H     13.18220087     10.59197248    -18.34952513
  O     19.49457276      8.20292976    -12.05446295
  H     13.62403350      3.38554794    -11.72208024
  H     13.14704878      9.81421728    -17.02398577
  O     16.54422509      5.26672705    -12.57769153
  H     13.57424590      4.90151913    -11.97668672
  H     14.58556645      8.53103762    -10.78612856
  O     16.27151493      8.52649305    -10.22973228
  H     17.65376140      7.63363173    -14.32733199
  H     13.47425990      7.75698151    -11.58680310
  O     13.64867351      9.92964115    -17.84629189
  H     18.57617109      8.50778849    -15.18336527
  H     13.71370420      9.81376687    -12.50089311
  O     13.68773614      8.58870204    -11.14360611
  H     16.19543778      5.67108441    -16.37686304
  H     14.64811685     10.67829618    -13.38576118
  O     13.72098201     10.46534503    -13.21723446
  H     15.41296382      5.41521351    -17.68523629
  H     10.24385734     10.33694718    -13.61981412
  O      9.87096340      9.70008490    -14.25681834
  H     18.07411414      5.92303276    -15.20377800
  H      9.01873962     10.03780882    -14.51847686
          69
 Energy    -248.14155167621993     
  O     12.17485939     10.95145512    -14.31958585
  H     12.26797045     10.31885992    -15.04697039
  H     16.84937463     11.13105634    -16.27903000
  O     15.96197508      6.66391700    -13.68221421
  H     12.90918347     11.56970262    -14.39992179
  H     15.07744879      9.65487906    -13.94086867
  O     17.77984155     10.34366957    -11.70396492
  H     15.63765559      7.49024844    -14.07566326
  H     14.27010004      9.04961838    -15.14410729
  O     12.30180494      6.24594783    -15.48956346
  H     15.51321092      6.59477606    -12.82971741
  H     11.62580931     10.00860346    -12.96646010
  O     14.92272165      9.71719147     -8.26802234
  H     17.76379917     10.22627821    -10.74665326
  H     10.41420118      9.61982849    -12.08868223
  O     14.68385427      6.90413854    -11.19904858
  H     17.96237053      9.47219520    -12.08622518
  H     17.81408657      7.22913799    -11.06850789
  O     15.19445728     10.79528254    -12.50994897
  H     11.57359626      5.65349589    -15.65577619
  H     17.43066246      7.89371171     -9.73894002
  O     16.05244269      7.19033893    -18.22240118
  H     12.32913937      6.39407432    -14.52635999
  H     13.11198548      6.69534228    -12.26234739
  O     17.12959363      9.20025934    -16.54969060
  H     14.40694521      9.26638674     -7.60390266
  H     11.97355385      7.67332065    -12.64118996
  O     15.02899322      5.78903909    -16.16520186
  H     14.40275901      9.66987467     -9.08695587
  H     19.22718463     10.78243511    -14.39531213
  O     19.48628855      9.00136564    -15.15527871
  H     15.55292208      6.85439099    -10.77396863
  H     18.55222452     11.31595015    -13.12869559
  O     16.75684240     11.96280766    -15.80308987
  H     14.34324935      7.78511489    -10.99412438
  H     17.56913902      7.36905036    -13.19030371
  O     15.12376179      9.05247038    -14.69335898
  H     16.12851352     10.75260843    -12.26017223
  H     18.84671536      8.14609841    -13.60007035
  O     11.33438611      9.42431301    -12.24353454
  H     15.03792579     11.57822186    -13.05155110
  H     18.10027638      9.90510986     -8.22672276
  O     17.29291878      7.09818781    -10.26630316
  H     15.69242029      6.65280573    -17.49237373
  H     16.63125610      9.73171281     -8.67757850
  O     12.36351266      6.81777790    -12.85894925
  H     16.44249947      6.58115869    -18.84307041
  H     14.30062987      9.76803532    -19.10695148
  O     18.84339107     11.57991651    -14.01116948
  H     16.86791429      8.54698026    -17.20779956
  H     14.67784214      8.38194742    -18.56211123
  O     18.33339986      7.84930374    -12.83913233
  H     16.44276231      9.17775209    -15.86373051
  H     12.77071642      9.48649638    -11.07812537
  O     17.55551635      9.67493895     -8.97496042
  H     14.08084172      5.86126857    -16.00044883
  H     14.20884313     10.00053003    -11.30926984
  O     13.95603891      9.02565570    -18.61492569
  H     15.45029747      5.90639219    -15.30300522
  H     15.28636706     12.43215124    -15.00737315
  O     13.65478139      9.49540103    -10.69327286
  H     18.68596911      9.05561718    -15.70540688
  H     14.45800094     13.62456817    -14.48008675
  O     14.51948093     12.67323680    -14.45669013
  H     20.21072513      8.79364920    -15.73974090
  H     13.08127838      9.01052080    -17.04564786
  O     12.73853435      8.94495586    -16.14308191
  H     17.49422801     11.97379381    -15.17350599
  H     12.49561461      8.02327711    -15.98874002
          69
 Energy    -248.14141835729268     
  O     -8.28702806     -1.84861691      5.62682032
  H     -9.02601915     -1.28967410      5.35527433
  H     -3.06082837      1.26159563      2.25210897
  O    -10.38663120     -2.00741073      2.37750962
  H     -7.57325598     -1.23633634      5.82727372
  H     -7.25870919     -0.60513465      2.69533321
  O     -8.43929077     -3.70944531      3.63009660
  H     -9.82026696     -2.69034405      2.75693086
  H     -7.13231523      0.40161058      3.86227339
  O     -5.41409431      0.88184051      0.11756343
  H    -10.52910296     -1.36676925      3.08425556
  H     -0.78365101      2.48738615      1.87548904
  O     -6.29496885      0.45089802      5.54955552
  H     -8.33564073     -3.12806091      4.40433211
  H     -2.06039418      3.18264276      2.41031976
  O     -4.68665839      5.34809493      1.32521663
  H     -8.51129363     -4.60012601      3.96277684
  H     -9.21050060      4.89703890      4.73801461
  O    -10.29120466      1.89853964      0.22735899
  H     -5.75670082      0.03060616     -0.17755626
  H     -8.20685911      4.17328668      3.81418653
  O     -4.70194673     -1.27008776      4.17093123
  H     -6.19217244      1.39970053      0.37401802
  H    -10.73871533      1.55715058      3.35618841
  O     -3.77951211      3.20433027     -0.07881189
  H     -5.86020030      1.28855243      5.33122527
  H    -10.23266140      3.00705676      3.33626844
  O    -10.03595037      0.05060042      4.33107481
  H     -5.69563378     -0.23821354      5.21608075
  H     -7.17211536     -2.85603497      2.56415790
  O     -6.82091171     -1.53477073     -0.46802310
  H     -4.40256154      4.60610724      0.76109039
  H     -6.59037948     -2.15705240      1.28073886
  O     -3.88800474      0.82083807      2.48132653
  H     -4.58173235      6.14224266      0.80812284
  H     -9.76253264     -1.27305084      0.83956890
  O     -7.58806824      0.24088994      3.02680014
  H    -10.94812882      2.30369396     -0.33186373
  H     -9.73139579      0.06295115      0.06092413
  O     -1.73325171      2.50110744      1.79610586
  H    -10.54853244      2.08799437      1.14777345
  H     -8.81121753      2.56616659      5.60496830
  O     -8.98246183      4.04059756      4.38293208
  H     -4.25299473     -0.60721303      3.62765360
  H     -7.95500476      1.37473292      6.10300140
  O    -10.77801521      2.37735295      2.84976432
  H     -5.24865483     -1.76485899      3.54631992
  H     -3.60964442      3.81359506      3.92236050
  O     -6.51880042     -2.22213186      2.24080135
  H     -2.98576996      2.94168738      0.40458299
  H     -3.50947301      4.82436930      2.76785954
  O     -9.35161298     -0.82127529      0.08794042
  H     -4.30755896      2.40209086     -0.17840988
  H     -4.69188511      1.97787388      3.65198938
  O     -8.84714076      1.74167077      6.10674610
  H     -9.25315707      0.06703553      3.75511386
  H     -5.71373099      3.14089744      3.79466878
  O     -2.97761236      4.32167401      3.39781747
  H     -9.81494447      0.63963721      5.07008048
  H     -8.51717978      2.15062951      0.66067377
  O     -5.08484982      2.59706078      4.28677081
  H     -7.74602478     -1.26272913     -0.31774478
  H     -7.68105236      1.46470852      1.77846846
  O     -7.65421593      2.15082950      1.09048029
  H     -6.81407741     -2.05447104     -1.26720089
  H     -7.12353465      3.50683433      2.07148010
  O     -6.81354866      4.17187075      2.70653095
  H     -4.41314500      0.76501092      1.67136291
  H     -6.14256476      4.69776762      2.25462535
          69
 Energy    -248.14141438785921     
  O     14.78486176     12.90673864     -9.28287860
  H     15.26151065     13.13774188     -8.48851580
  H      9.89191476     12.38865277    -12.66474860
  O     11.03453702     10.34889021    -14.60586460
  H     14.78756004     13.69729325     -9.84458906
  H     14.84895920     14.20313347    -16.93201444
  O     15.45553105     10.45876554    -10.64824297
  H     11.14444390     10.52740898    -15.54861491
  H     15.38712277     14.70139574    -18.29380918
  O     17.10486439     12.75485617    -13.73816356
  H     10.81864722     11.19924011    -14.19453653
  H     13.32750920     13.04943356    -12.76518560
  O     12.16690792     11.94060845    -10.01770994
  H     14.62280858      9.97963103    -10.73085099
  H     13.23426607     14.24667891    -11.78720889
  O     12.80506684      9.45667922    -11.10210746
  H     15.25112550     11.28905505    -10.20188739
  H     11.28334971     12.98459803    -16.43629189
  O     13.57992746      9.54290666    -13.78353651
  H     17.39644118     11.96425625    -13.26953672
  H     10.76916457     13.57469229    -15.11451744
  O     14.64002635     15.19660149    -10.91832580
  H     17.31864169     12.64256577    -14.67877662
  H     15.34374435     12.30866335    -13.80428324
  O     10.32458375      8.85973908    -12.37180436
  H     12.26309826     12.48007723    -10.81867697
  H     14.19295298     11.25375800    -13.91476075
  O     13.89217016     14.38916845    -15.47339669
  H     12.91836619     12.19579287     -9.47304768
  H     16.83300097     13.01653004    -16.91488780
  O     14.13921522     11.37416302    -17.77306711
  H     12.55955404     10.29731241    -10.68803569
  H     17.18644384     11.53457077    -16.70562332
  O     10.36900679     12.77745588    -13.41105035
  H     11.97712898      9.07386797    -11.41804851
  H     12.46398756     11.23990347    -17.40593825
  O     15.37526698     13.94805977    -17.70972638
  H     12.72852493      9.75981114    -14.18542803
  H     11.06875142     11.02617216    -18.03466966
  O     12.71975541     13.54012279    -12.19003739
  H     13.41715048      9.47355469    -12.83300715
  H     18.26008484      9.91811702    -11.95806115
  O     11.23283093     13.80427973    -15.92990814
  H     15.09526076     15.21941738    -11.78026011
  H     16.78627520     10.33991050    -11.75291869
  O     14.38764375     12.19660029    -13.88812395
  H     14.52069780     16.10388914    -10.64978068
  H     15.25600896      9.06115432    -14.32772617
  O     17.42237994     12.42832830    -16.42677086
  H      9.79582138      8.08989491    -12.56671268
  H     16.69254359      9.39685640    -13.86640526
  O     11.51027561     11.20915245    -17.20942528
  H     10.50670096      9.29445993    -13.22147618
  H     16.36685253      9.50881587    -16.22638284
  O     17.51046280     10.30451618    -12.40329206
  H     12.94265182     14.37021252    -15.65918651
  H     16.87047018      9.16936227    -17.64859689
  O     16.18571398      9.01240414    -14.59075757
  H     14.07366678     13.55976774    -15.00515038
  H      9.69342020     10.46841569    -11.44451449
  O     16.44377761      9.85002143    -17.13544079
  H     14.87166728     10.77901070    -17.57250205
  H     10.30381334     11.56762530    -10.55893562
  O      9.56162414     11.37627305    -11.14565315
  H     14.52930235     12.25290095    -17.85262866
  H     15.10379821     15.11402929    -14.10848460
  O     15.72888968     15.17092773    -13.37544391
  H     11.16566014     13.17443228    -13.02938058
  H     16.33589852     14.42364138    -13.47807883
          69
 Energy    -248.14130240649547     
  O     12.76544413     11.47132683    -15.95386306
  H     12.02536075     11.23798889    -15.36835666
  H     17.79484367     10.25624615    -16.12587830
  O     15.39009140      7.80554406    -13.49785686
  H     13.12631342     12.31137520    -15.64999360
  H     14.16501879     10.54837261    -15.14747923
  O     16.15823291     11.35062015    -10.79284950
  H     15.22147102      8.64885751    -13.94778807
  H     15.71141384     10.42661028    -15.18575884
  O     16.85296498     13.06829285    -14.73689421
  H     15.94153886      8.01414498    -12.73250011
  H     11.07452768     10.44426689    -13.40029436
  O     12.15754569      9.66765789     -9.06128177
  H     15.38289703     11.56035220    -11.33363476
  H     10.82024107      9.55642336    -14.63230392
  O     12.74583974      7.61189498    -12.82398708
  H     16.90246552     11.79409639    -11.21827160
  H     15.85481700      6.66192187     -8.55391972
  O     14.06757830     11.75425735    -12.54425976
  H     16.97168786     12.38650044    -15.41373105
  H     14.73417920      7.20663688     -9.47195586
  O     16.71329718      7.26322156    -15.96007943
  H     15.92824766     13.33309983    -14.77583911
  H     10.84108165      7.13254724    -15.69539761
  O     13.08443641      7.12551308    -10.05080897
  H     11.65639296      9.88541110     -8.28036185
  H     11.87485535      8.20130049    -16.10110600
  O     18.98877356      8.97392579    -15.51151746
  H     13.08659811      9.89284980     -8.87280305
  H     17.69549143     12.70561872    -13.25309272
  O     18.87342069      9.73192672    -12.92889399
  H     12.26859244      7.57134081    -13.65992366
  H     18.81370650     13.14131344    -12.27923443
  O     17.04452022     10.81231244    -16.37397404
  H     13.68963789      7.58393260    -13.04537751
  H     16.58332718      9.58614232    -11.11312318
  O     14.93079123     10.24075715    -14.64710576
  H     13.29446390     11.26432169    -12.23259151
  H     16.55163298      8.14697442    -10.54064120
  O     10.81766367     10.47315127    -14.33203008
  H     14.48560459     11.20169838    -13.22460827
  H     15.18343702      9.21074665     -8.68025271
  O     15.62808035      7.38698843     -9.12961586
  H     16.26750989      7.25557336    -15.10382075
  H     15.31576293     10.63335909     -9.26711782
  O     11.40346743      7.81990617    -15.34433892
  H     17.54779630      7.72581566    -15.81246358
  H     14.58565779      8.96799304    -17.68714289
  O     18.16181475     12.46244664    -12.43364322
  H     12.90201982      7.14135098    -10.99915972
  H     15.89994181      8.30184921    -17.22418561
  O     16.85342944      8.67373786    -11.29066713
  H     12.63531808      7.89405954     -9.67765615
  H     11.92785385     10.02782819    -10.85141125
  O     14.80291050     10.09748415     -8.64828455
  H     19.89218130      8.79170434    -15.75509012
  H     12.27877540      9.23907732    -12.14238418
  O     15.54083738      9.00944078    -17.78341709
  H     18.99363883      9.21030253    -14.56671180
  H     13.96320297     13.08859397    -13.74565837
  O     11.98711511     10.10205231    -11.81157028
  H     18.71134380     10.66816580    -12.76252155
  H     13.66167636     14.49647573    -14.31033340
  O     13.98969699     13.63333985    -14.55114612
  H     18.28729077      9.24740764    -12.33309057
  H     12.30232765      9.33908417    -18.35712978
  O     12.62241297      9.20357859    -17.46760365
  H     16.52840452     10.29987383    -17.01602478
  H     12.67273383     10.08315658    -17.05519912
          69
 Energy    -248.14123878788865     
  O      4.45995357      5.20296379      3.86448536
  H      4.16215704      4.57088719      3.19680184
  H     -0.63080547      4.04193760     -0.66704309
  O      0.68950719      9.91237576      4.84048993
  H      4.61963836      6.03514048      3.40379973
  H      0.66230143      6.85762692     -3.68310113
  O      1.09183208      9.95101960      2.08442298
  H      0.77030545     10.55333106      5.54126637
  H     -0.36165935      5.82304456     -3.18250780
  O     -1.43932107      8.05367002      4.38585001
  H      1.47996907      9.34218444      4.88273404
  H     -1.87470010      9.80852973      1.14764620
  O      4.22913248      7.65192940      2.34621016
  H      0.91181110     10.06394204      3.02570626
  H     -1.00712079      9.75638286     -0.13538547
  O      2.59865125      7.15080672     -3.56643745
  H      0.28680854     10.17056267      1.58995875
  H      2.59668740      5.06644587     -1.18414685
  O      2.81488298      5.92891545      0.53091625
  H     -0.77397569      8.71240370      4.61832497
  H      2.63550640      5.46768727     -2.67223114
  O      0.23184514      5.76692029      4.23724870
  H     -0.99760621      7.19677382      4.44865683
  H      3.30177307      5.42310191      5.14932951
  O     -0.12866137      4.03594479     -2.50854312
  H      4.19767561      8.51085659      1.90795824
  H      2.82163123      5.23758075      6.60929800
  O      0.75737228      3.57173305      2.47078291
  H      3.80350321      7.04141466      1.73053977
  H     -0.44967538      7.91594061     -2.12198426
  O     -1.60761012      6.80484114      0.54227709
  H      3.17635445      7.59083792     -4.18479310
  H      0.62364872      8.44569157     -1.14980285
  O     -0.79015777      4.14863559      0.27700682
  H      2.63127947      7.66072599     -2.73996339
  H      2.76504907      7.45671682      5.24497843
  O     -0.27061182      6.74188699     -3.46545768
  H      2.02512410      6.24515248      1.00146899
  H      3.31050114      8.11137490      3.95967900
  O     -1.18753842     10.27856568      0.65832035
  H      3.06289081      5.08133428      0.92472722
  H      3.88041870     10.91120524      0.90390619
  O      2.47574972      4.72360446     -2.07708825
  H      0.52703981      6.25354104      3.45202917
  H      2.66132815     10.07110654      1.36000612
  O      2.61012747      5.67282780      5.78812143
  H      0.99071767      5.70782262      4.83081488
  H     -0.05641996      6.97944867      1.44538281
  O     -0.32684268      8.43442614     -1.31255856
  H      0.82126727      4.18754940     -2.36012931
  H      0.91036794      8.08266737      1.97445267
  O      2.83206188      8.29792815      4.77625346
  H     -0.20195414      3.24387382     -3.03526599
  H      2.40330645      3.49675968      2.10610717
  O      3.53052271     10.02446477      0.92135179
  H      0.18108797      3.69964096      1.70105191
  H      3.60502406      2.70846591      1.51733068
  O      0.79975556      7.13036074      1.87013306
  H      0.44844855      4.17671704      3.15390995
  H      2.93628662      8.94720114     -0.49143132
  O      3.34322974      3.56292910      1.84773078
  H     -2.19604726      7.35705998      1.07200267
  H      2.67885598      7.42535921     -0.54738522
  O      2.54777789      8.25094241     -1.03447192
  H     -1.25203015      7.35485322     -0.17097750
  H     -2.44190999      8.42070004      3.01518105
  O     -2.94361349      8.61685717      2.20344667
  H     -1.20792871      5.01493143      0.37366347
  H     -3.85653896      8.71250922      2.46057227
          69
 Energy    -248.14122593445956     
  O     10.13903908      9.20572018     -8.89279238
  H     10.32927434      9.99096731     -9.43454448
  H     10.68849796     11.48943226    -11.34752880
  O     15.25937319     10.60235506    -15.44397994
  H      9.23891926      9.29347621     -8.58838873
  H     13.15374693     13.80907802    -12.68540121
  O     11.10210335      7.59942884    -11.10882452
  H     15.90549895     10.67316978    -16.14139605
  H     13.91071232     12.53575918    -13.12240867
  O     14.21620161      8.27459540    -14.17956607
  H     14.47107031     11.09394983    -15.73474283
  H     16.93627445      9.60725330    -10.43749137
  O     13.09612605     12.44404170     -7.06540172
  H     12.02183988      7.44970415    -10.84532669
  H     16.62571385      8.74487619    -11.68721917
  O     13.00338074     11.99467464    -15.95700505
  H     10.68452707      8.01667805    -10.34730562
  H     16.17428728      6.33778378    -12.64119384
  O     11.62170222      9.03180113    -13.37782686
  H     14.55800916      9.01487843    -14.69387841
  H     15.26110528      7.52249271    -13.04699440
  O     14.70248650      8.23488718     -7.87074220
  H     13.31887940      8.51023462    -13.90942141
  H     13.17014034     15.85100293    -11.16411959
  O     13.61851490     10.51041409    -10.67538654
  H     13.40117506     12.76912204     -6.22193111
  H     12.78737267     14.50084768    -10.51055371
  O     12.41835944      9.63191624     -7.16076118
  H     13.89038375     12.24009794     -7.59106596
  H     14.49931277      7.41264713    -11.06017300
  O     15.76036666     13.49249453    -10.79361810
  H     12.19454107     11.46747349    -15.95242126
  H     13.73460741      8.65596400    -10.53071254
  O     10.97510399     11.28147968    -10.44823615
  H     12.97802687     12.55074769    -15.16713067
  H     15.41403707     11.14454260    -13.68640439
  O     13.14814942     13.09031919    -13.33130460
  H     11.45740206      9.93286204    -13.07697708
  H     15.97800202     10.81626709    -12.27635148
  O     16.87057285      9.63396433    -11.39954772
  H     11.37012440      8.45314994    -12.64185688
  H     10.47598234     11.49417788    -14.01421255
  O     15.82907660      7.17186011    -12.33575028
  H     13.93349486      8.69696070     -7.50657740
  H     11.54702670     12.27455971    -13.20336525
  O     13.31211161     14.91010518    -11.22241992
  H     14.39642482      7.84826881     -8.70171114
  H     15.47064433     12.46339658     -9.37010200
  O     13.80263225      7.69247315    -10.45474406
  H     14.13351346     10.73519146    -11.45885351
  H     15.85023926     11.15085358     -8.59263324
  O     15.37196009     11.40549020    -12.75822840
  H     14.08344450     10.90538136     -9.92510351
  H     10.99131785      9.69104799    -14.96143286
  O     10.73054260     11.75812609    -13.12402159
  H     12.49529215     10.59041478     -7.09781401
  H     10.05091101      9.90199390    -16.16874648
  O     15.16969496     11.82611895     -8.70481389
  H     11.63067134      9.44794986     -7.68558601
  H     16.12847265      9.08494136     -8.25260818
  O     10.69344055     10.34258259    -15.61858689
  H     14.99592565     14.06578902    -10.93449400
  H     17.61906827      9.41275394     -7.98049237
  O     16.88205598      9.63334413     -8.54276987
  H     15.79041975     12.89569611    -11.55058132
  H     11.43023583     12.90358654     -9.67449424
  O     11.87888114     13.67237626     -9.29841573
  H     11.89722379     10.98496678    -10.51162426
  H     12.24284143     13.36889881     -8.45780430
          69
 Ord_Energy   -248.141144    
 O   -9.50956726      -1.68236101       4.03079891    
 H   -10.0739756      -1.30571067       3.33333206    
 H   -10.0836391      -2.19160151       4.59802580    
 O   -4.49670506      0.534650683      0.518622935    
 H   -4.69674587       1.12884915       1.26066816    
 H   -4.84418678      0.955478132     -0.276875436    
 O   -5.91689348       1.85272300      -1.55009449    
 H   -5.60011101       2.49126625      -2.18514585    
 H   -6.55607557       2.31727695     -0.983013690    
 O   -7.18932772       4.29362249       2.56400609    
 H   -8.00412846       3.97471404       2.99118519    
 H   -7.04143953       5.17884684       2.88568497    
 O   -6.67216492      -4.59106064      -1.22266257    
 H   -6.14286852      -4.44814730     -0.420667589    
 H   -6.64109135      -5.52901983      -1.39054894    
 O   -11.6260538       2.30150318       2.04285455    
 H   -11.2724752       2.53010631       1.16384709    
 H   -12.4656181       2.74709344       2.12280917    
 O   -5.22799921       2.15791535       2.60072637    
 H   -5.28535700       1.73552668       3.46641374    
 H   -5.84640694       2.89673948       2.61445117    
 O   -4.76157856      -1.61042905       3.92752481    
 H   -4.18182945      -1.69511831       3.16214299    
 H   -5.56985474      -2.08997345       3.69712186    
 O   -9.42774391       3.24609065       3.72132373    
 H   -9.10160446       2.45209503       4.16806936    
 H   -10.1756477       2.96031666       3.18383455    
 O   -10.6294012      -1.20423782     -0.508732855    
 H   -9.83780575      -1.69283366     -0.772106528    
 H   -10.7299452     -0.499248683      -1.15883970    
 O   -10.9565039     -0.446014881       2.05766821    
 H   -10.9553719     -0.774444580       1.14253867    
 H   -11.3540945      0.433568239       2.07693315    
 O   -7.08288002      -2.76585793       2.89864349    
 H   -6.98533487      -2.18718648       2.12453246    
 H   -7.92244339      -2.52793884       3.30459452    
 O   -8.24681473      0.827741683       4.48104763    
 H   -7.32205582      0.756038964       4.75137711    
 H   -8.62953186      -5.85663505E-02   4.47942686    
 O   -5.51153421      0.709649444       5.03775883    
 H   -5.03316259      0.848340750       5.85040951    
 H   -5.20103693     -0.137618765       4.66832256    
 O   -7.75585842       2.98894310      0.150095761    
 H   -7.50993919       3.61780477      0.839269161    
 H   -8.03895950       2.19255137      0.629303634    
 O   -10.5643930      0.936506987      -2.41482902    
 H   -9.62871361      0.708277583      -2.56482053    
 H   -10.9938498      0.900493145      -3.26531458    
 O   -6.80209970      -1.02134275      0.786725044    
 H   -7.42444515     -0.342113376       1.08548665    
 H   -5.95553350     -0.576929569      0.671015918    
 O   -8.11765194      -2.23750186      -1.28457999    
 H   -7.63551426      -1.82316172     -0.552903950    
 H   -7.71177959      -3.10654640      -1.39933681    
 O   -7.99152231      0.168779984      -2.69485426    
 H   -7.96758080     -0.722786069      -2.31749654    
 H   -7.23253775      0.643268883      -2.34144211    
 O   -3.39484978      -1.83081138       1.41994202    
 H   -3.68016505     -0.981730223       1.04435802    
 H   -2.46953154      -1.92412114       1.20576108    
 O   -10.5438957       2.86709809     -0.371849597    
 H   -10.6211643       2.24180055      -1.10444546    
 H   -9.60387135       3.07265711     -0.299089044    
 O   -8.50112820      0.851872981       1.68996751    
 H   -8.29232407      0.971957803       2.62555337    
 H   -9.36954117      0.432909280       1.65851676    
 O   -5.27155113      -4.08101034       1.11642230    
 H   -4.61382103      -3.37705278       1.14849317    
 H   -5.91324472      -3.86682940       1.80544329    
          69
 Energy    -248.14079619106963     
  O     17.57258540     10.38584055    -10.89779951
  H     16.91352384     10.13957236    -11.56421907
  H     18.41285636      3.79317428    -12.50569058
  O     13.49298475      6.54069731     -7.06358297
  H     18.24607059      9.68693625    -10.92767913
  H     14.69980775      6.17912116     -8.48638205
  O     16.11934858     12.14383227     -9.00913514
  H     13.19488124      6.00727554     -6.33163829
  H     15.61282432      7.21603876     -9.17179655
  O     12.00296498      8.15550120     -8.88897355
  H     13.80683889      7.38204161     -6.68649301
  H     19.11570532      6.23846974    -13.06943649
  O     15.71921006      9.28321817    -12.61856777
  H     16.54383554     11.73348460     -9.77091866
  H     19.45603821      7.62767576    -12.52188077
  O     19.31037449      8.26238203    -10.79472172
  H     15.25534743     11.72161479     -8.92808893
  H     17.15795237     12.07352197     -7.59919874
  O     21.06004371      8.98246929     -8.73148900
  H     12.52214883      8.96208732     -8.78079526
  H     17.78107815     12.66909020     -6.31240931
  O     18.05213586      5.99664987     -9.75426561
  H     12.38629386      7.51274946     -8.28091802
  H     17.43417860      8.34672564    -15.60721772
  O     11.82906368      7.92548314    -11.57255684
  H     16.19027714      9.00756773    -13.41516749
  H     18.01322438      7.81934635    -14.27273657
  O     13.31497481     10.39582549    -11.54735567
  H     15.31193801      8.48028420    -12.26165718
  H     16.69708000      9.34633938     -9.64783798
  O     13.86224682     10.35763638     -8.85947881
  H     18.82025605      7.51218447    -10.42684837
  H     16.54550697      8.95450921     -8.14636485
  O     18.24819288      4.69966633    -12.26006554
  H     20.02966156      8.45362621    -10.18065414
  H     18.97911217     11.17550719     -9.68587436
  O     15.31299583      6.29174848     -9.22115541
  H     21.99364881      9.14252563     -8.62633012
  H     19.10469824     11.54704654     -8.19787169
  O     19.33052640      7.13763499    -13.34599565
  H     20.62286866      9.85266358     -8.76252146
  H     15.31482819      9.06530766     -6.16596716
  O     17.81074099     11.91372522     -6.89371151
  H     17.10897655      5.96652522     -9.54375575
  H     14.08073932      9.67373148     -6.86990635
  O     17.19772061      8.12181367    -14.71148617
  H     18.17146776      5.45585632    -10.54614749
  H     14.66930782      6.61500829    -10.89481255
  O     16.16189980      8.84063766     -9.02715407
  H     11.80169304      7.95546082    -10.59873123
  H     13.50525502      7.17831427    -11.76759513
  O     19.61432925     11.26054175     -8.96671793
  H     10.94814042      7.71530133    -11.86923896
  H     19.80007203      7.90621356     -7.76715153
  O     14.35169476      8.99806676     -6.24071978
  H     12.71823865      9.65050494    -11.68962041
  H     18.74496587      6.83194478     -8.09466905
  O     14.43683695      6.92608187    -11.78013917
  H     14.11814002     10.18246043    -12.03902934
  H     17.48317465     10.09601606     -6.49462230
  O     19.02863934      7.44911435     -7.40990916
  H     14.62705395      9.76172111     -8.90570255
  H     17.85738577      8.57505610     -6.66052152
  O     17.13733344      9.19546431     -6.46586213
  H     13.58814258     10.50307150     -9.77969374
  H     16.39514644      6.44001385    -14.13322225
  O     16.11071461      5.68016066    -13.61212699
  H     17.44546840      4.97799172    -12.73739829
  H     15.43456580      6.01870980    -13.00812512
          69
 Energy    -248.14073019476814     
  O      0.80291514     -1.39677338      5.40520313
  H      0.60981485     -0.45242981      5.47254547
  H     -5.58326213     -0.36223246      2.85255528
  O      2.05901814     -0.00346900     -2.07258267
  H     -0.02505021     -1.84536882      5.61452850
  H     -1.47783764      1.44959059      2.13421951
  O     -1.78192271     -2.58823809      5.92265519
  H      1.78334962     -0.92641057     -2.14255276
  H     -0.48058375      2.63233378      2.16984314
  O      0.13856494      0.86953982     -0.19234564
  H      1.33932234      0.44634398     -1.60962465
  H     -2.92638144     -1.17334734      5.55722596
  O      1.24281067     -2.73569685     -1.73754557
  H     -1.85312717     -3.22189376      6.63192676
  H     -3.26631381      0.35685316      5.51386007
  O      2.94789573     -2.56992863      0.38854514
  H     -1.98119983     -3.06873163      5.09773175
  H      1.61989857      2.02192600      2.62904113
  O     -3.64436352      2.70676660      3.16198917
  H      0.83228029      0.69633025      0.45908561
  H      1.80513492      3.48442373      3.10174076
  O     -4.68384773     -3.22980035      2.06785107
  H     -0.46740107      1.48120730      0.24275396
  H     -2.39408992     -0.27216159      3.63611722
  O     -0.08529250      1.25699470      5.11866927
  H      1.43071283     -3.52525841     -2.23804034
  H     -0.94989856      0.23190066      3.79684103
  O      4.06801484      0.01620122     -0.24453649
  H      1.82320906     -2.75674027     -0.95575210
  H     -0.76128099     -0.66329853     -0.62239108
  O     -5.09693559      0.90798024      1.52119858
  H      3.48543477     -1.78907445      0.21049130
  H     -0.43470094     -2.04145185     -1.23465806
  O     -5.61960815     -1.10752066      3.46490115
  H      2.64895268     -2.47966801      1.30287131
  H      1.59008986     -1.77239431      3.81040430
  O     -1.27840006      2.31063485      1.73118763
  H     -2.86003256      2.80150861      2.60503011
  H      0.92918892     -2.13070261      2.46324154
  O     -3.51140171     -0.50943834      5.16728555
  H     -4.22833352      2.11789634      2.66722227
  H     -3.07669043      2.79654076      6.27716475
  O      1.18559800      2.75954747      3.09281588
  H     -5.38861110     -3.82333444      1.82211639
  H     -3.08270363      2.40443234      4.77970826
  O     -1.58785949     -0.08173156      3.14143844
  H     -5.08786549     -2.52046951      2.59979962
  H      2.06276370     -0.23987116      2.19703495
  O     -1.13521666     -1.53965406     -0.79936500
  H      0.37950341      1.87603938      4.54154882
  H      2.93528960      0.49968608      1.14008163
  O      1.77278590     -1.87197831      2.86567971
  H     -0.92114350      1.66589569      5.37977193
  H     -3.18249683     -3.68136435      3.10482155
  O     -2.71342078      2.17479623      5.65232727
  H      3.42720553      0.05804699     -0.97738545
  H     -1.68156241     -3.42413663      2.93061382
  O      2.19646895      0.61022994      1.75163434
  H      4.91377032      0.27490212     -0.59930351
  H     -1.05794463     -1.53734570      2.27533411
  O     -2.33490426     -3.76296769      3.55856841
  H     -4.55512899      0.23859960      1.06589251
  H     -0.85856939     -2.19537461      0.89033441
  O     -0.70996509     -2.32839290      1.83314890
  H     -5.72246601      1.22996147      0.87662190
  H     -2.91007339     -1.30526615     -0.13766269
  O     -3.72137950     -1.12264233      0.34973424
  H     -4.97164751     -0.91245401      4.15707898
  H     -3.94588593     -1.92648896      0.83465442
          69
 Energy    -248.14060094349790     
  O     16.27041020      9.27705843    -16.31038329
  H     16.73285593      9.11372033    -15.47721084
  H     17.16636291     10.20888411    -17.47224956
  O     14.71849913     12.62272992    -15.66946870
  H     15.35983326      9.48684121    -16.07162666
  H     15.76628185     12.58265858    -11.25903309
  O     19.34140260     10.34865791    -10.89282110
  H     14.17985910     11.82441348    -15.63538088
  H     14.71901969     12.40028304    -10.13963925
  O     19.84103590     12.98568899    -11.85310333
  H     15.53181312     12.40274940    -15.18976608
  H     19.00147679     15.84363620    -12.70988775
  O     14.17210788      9.95940587    -12.68692681
  H     19.55257714     11.28234125    -11.01977299
  H     20.45070227     15.91421604    -13.20710792
  O     16.70082441      9.61720982    -11.24092984
  H     19.78398175      9.88893635    -11.61641588
  H     20.28682258     11.99655242    -14.97569902
  O     17.59176976      9.25108283    -13.82886002
  H     19.97906833     13.94099979    -11.93542809
  H     21.62948273     12.45927673    -14.32837317
  O     15.99915339     13.08196053    -18.11435459
  H     20.18585701     12.59266412    -12.66523094
  H     16.47677732     14.72825818    -17.93086965
  O     18.91980400     15.10565858    -16.07568861
  H     14.25431015     10.78479841    -12.19123742
  H     16.48517914     16.18453659    -18.45498471
  O     18.96719669     12.34814447    -16.15206463
  H     14.86704095      9.40508926    -12.31914193
  H     20.41374923     15.78097956    -15.44007738
  O     13.65982725     10.02626340    -15.35849844
  H     17.61207378      9.83021429    -10.98459035
  H     21.41515609     16.95525498    -15.35206485
  O     17.68408138     10.76658163    -18.08115764
  H     16.17402870     10.38873669    -11.00100534
  H     16.47603870     15.62356116    -14.12724231
  O     15.07393032     11.98890087    -10.92352310
  H     17.24452583      9.27724167    -12.92507284
  H     17.94903108     15.37551055    -14.46230832
  O     19.91566587     15.69429779    -12.43601120
  H     18.55125465      9.17648451    -13.75282729
  H     23.46331951     14.09088459    -13.81622379
  O     20.89539436     11.83553699    -14.24106339
  H     15.45853958     12.89988513    -17.33240378
  H     22.30145145     14.64381308    -14.65472704
  O     16.71873058     15.64544691    -17.70438373
  H     16.56537422     12.31061390    -18.22650624
  H     20.64786836     10.17689235    -13.70799043
  O     21.21708985     16.09524498    -14.99002097
  H     18.21804790     15.39303246    -16.67440200
  H     21.10902395      8.70888430    -13.54609244
  O     17.35536857     15.56687020    -13.72479581
  H     18.99105625     14.14474270    -16.16874197
  H     17.17084196     11.00597001    -14.11546741
  O     22.77833357     13.83127031    -14.42886730
  H     18.68455015     11.82043628    -16.90782127
  H     17.05601831     12.42580642    -13.46936136
  O     20.38110405      9.30158857    -13.37817119
  H     18.26258182     12.25951803    -15.48933289
  H     14.80638149     14.50170807    -15.36793093
  O     17.02406588     11.94232068    -14.30324481
  H     13.80681014      9.97914479    -14.39714997
  H     15.53926443     15.61998245    -16.12501709
  O     15.10345470     15.41797338    -15.28840884
  H     12.82575683      9.59659826    -15.52852617
  H     17.10917110     14.25599531    -12.51630246
  O     17.11814466     13.45255351    -11.97616096
  H     17.92730900     10.21300198    -18.81803190
  H     18.04695524     13.24128955    -11.80568551
          69
 Energy    -248.14059622402814     
  O     14.34207693      5.53591230     -9.21977416
  H     15.12539862      5.31512483     -9.74138411
  H     17.08010153      9.53291690    -12.95970185
  O     15.01023232      7.94326835    -16.87598975
  H     13.58936392      5.12555268     -9.66248171
  H     15.04016579      8.71216148    -12.62210035
  O     18.01155506      8.99483953    -14.37991133
  H     14.20758539      7.89148766    -16.32413356
  H     13.67636789      8.30808644    -12.00762336
  O     14.98851361     11.82461002    -13.53263801
  H     14.73440515      7.80859505    -17.77834516
  H     12.41171605      4.26437514    -11.53664690
  O     10.92008173      6.24237761    -14.12171180
  H     18.91578649      8.82303329    -14.09093446
  H     11.70703137      3.59789818    -10.33236614
  O     19.22062083      4.67093181    -11.57645948
  H     17.63426241      8.14538779    -14.65398713
  H     20.20545427      7.97333936    -12.42562685
  O     12.79669844      4.25294054    -13.23717610
  H     15.21702584     11.31842168    -14.33283782
  H     21.36307448      8.47511044    -13.32300263
  O     16.98663493      8.11014606    -10.12504405
  H     15.28169553     12.71939111    -13.68787427
  H     15.73284906      5.43573375    -12.40588019
  O     12.82958957     11.34859995    -11.76004229
  H     10.01854098      6.07714152    -14.38418966
  H     14.81923810      6.49592307    -13.06062446
  O     19.31306261      5.64000448    -14.11183071
  H     10.89099171      6.51707521    -13.18712291
  H     16.75178372     10.02975779    -15.30353445
  O     12.93429612      7.91074674    -15.18097757
  H     19.23927165      4.93401907    -12.51427560
  H     15.52583564      9.65019662    -16.14111261
  O     16.48682289      9.79876005    -12.24074917
  H     19.75043517      3.88234412    -11.50017631
  H     16.28801118      6.96750206    -15.88453315
  O     14.26362112      8.15722431    -12.75908262
  H     12.18456925      4.85229384    -13.68116500
  H     16.30181445      6.18057567    -14.54863321
  O     12.16258442      4.39054077    -10.60350182
  H     13.67743376      4.64148531    -13.33320266
  H     19.57021801      6.46369915    -10.95815069
  O     20.46041508      8.17024892    -13.34526602
  H     16.83227194      8.76025825    -10.82619069
  H     18.80902056      7.72306268    -10.48727778
  O     15.23365190      5.63209051    -13.20966445
  H     16.24867208      8.19504025     -9.50966911
  H     11.47529143      7.57473144    -11.10018954
  O     15.91031332     10.37385637    -15.63342545
  H     12.05036695     11.74397797    -12.14662719
  H     11.31110297      6.03911956    -11.05617488
  O     16.87243891      6.59886986    -15.21069208
  H     13.54071139     11.49449653    -12.40028291
  H     17.50211137      5.03504378    -11.01916218
  O     19.64346206      7.42239965    -10.86911984
  H     19.79396135      6.46862752    -13.99435795
  H     16.77640228      6.34968833    -10.62347699
  O     10.97055106      6.84022792    -11.47346462
  H     18.51396016      5.85942297    -14.60789949
  H     14.52081912      8.25701641     -7.64055988
  O     16.63526450      5.41373678    -10.82933206
  H     12.19219381      7.34216701    -14.94546522
  H     14.45780028      7.18177948     -8.75407916
  O     14.59543099      8.13296606     -8.58302847
  H     13.37719526      8.11308327    -14.34456022
  H     12.73939307      9.76752566    -10.86566900
  O     12.70378276      8.84673854    -10.56811676
  H     16.04360560     10.60532959    -12.52698575
  H     13.32730997      8.72996562     -9.84100375
          69
 Energy    -248.14054768814916     
  O     11.96047871     11.05829765    -13.79936316
  H     12.29138506     10.67379459    -14.62528492
  H     15.85182171      6.93643699    -15.73804381
  O     16.12599015      6.94264478    -13.94968850
  H     12.57854619     11.75896965    -13.56969583
  H     18.97847001      8.37589575    -14.09135216
  O     17.10105763      9.88195652    -10.61044824
  H     15.58407779      6.72334767    -13.18029219
  H     18.49955186      9.21779546    -15.29692364
  O     16.45752894     12.03473834    -14.18361427
  H     17.05045553      6.78869673    -13.72170136
  H     14.52417734      9.60646256    -14.81503467
  O     12.82559837      7.10524181    -16.47655816
  H     17.73567581     10.36136110    -11.15715741
  H     15.60099559      8.68947413    -14.13738690
  O     15.36020455      8.35581010     -8.80175256
  H     16.23610728     10.16112723    -10.94367232
  H     11.36329770      9.70016786    -12.88776314
  O     14.43523226      6.46050615    -11.78930217
  H     16.08587132     11.13986534    -14.25870790
  H     10.10978167      8.97071054    -12.35377808
  O     14.66335794     10.61111579    -11.69340213
  H     17.23153258     11.94483121    -13.61566095
  H     17.49617466      6.68946896    -10.36214890
  O     16.62863642     11.67393372    -16.99642517
  H     12.68483223      6.93202342    -15.52786246
  H     17.78352161      8.16352978    -10.73387615
  O     16.02736303      5.82775339     -9.52573635
  H     12.20771710      6.55527346    -16.95012458
  H     11.90871444      7.47826472    -13.37374822
  O     17.65549753      9.02578099    -16.98019519
  H     14.51110377      8.49936976     -9.24194363
  H     13.08380460      6.50088419    -13.17152282
  O     15.68751150      7.17310190    -16.66295873
  H     15.98977119      8.95785236     -9.21622203
  H     18.78749759     10.52683605    -13.25363371
  O     18.91824402      9.27786824    -14.43006742
  H     14.95104977      6.05418376    -11.08302404
  H     19.51851645     11.65030226    -12.48242930
  O     15.23164556      9.58000068    -14.15688510
  H     13.99714101      7.22227181    -11.38321249
  H     18.66881868      6.87270596    -12.37868590
  O     11.05735578      8.89657362    -12.42977788
  H     14.40960432     11.51191371    -11.91961358
  H     19.46076490      5.95067608    -13.34254831
  O     18.12140924      7.26174218    -10.82151345
  H     14.81348169     10.16163526    -12.54138531
  H     13.96143630     11.97884062    -18.73022268
  O     12.42316936      6.78885149    -13.81199690
  H     17.01003106     10.78612031    -17.01097963
  H     15.01916141     11.53972228    -17.70165349
  O     18.66899265     11.22994954    -12.58771154
  H     16.65108647     11.95828660    -16.07469621
  H     13.65833224      9.41009903    -10.91786939
  O     18.85417561      6.68485330    -13.31806192
  H     15.77955996      6.69472453     -9.15475655
  H     12.31874067      8.67118820    -11.04643661
  O     14.10952433     11.37821252    -18.00559252
  H     16.01850200      5.20658559     -8.80290349
  H     14.02252129     13.92195261    -13.05387603
  O     13.15974340      8.65125389    -10.57469025
  H     16.91792093      8.39476406    -16.91395526
  H     14.92050451     12.76390101    -13.54044926
  O     14.08027617     12.97107547    -13.09777278
  H     18.18126736      8.74585091    -17.72590775
  H     12.95833072      8.93778067    -16.27316291
  O     13.14343485      9.83662345    -15.97663670
  H     14.73042061      7.13693255    -16.76343179
  H     13.42684679     10.36138435    -16.74006006
          69
 Energy    -248.14037750678176     
  O     15.80168141      8.70293395    -16.19409117
  H     16.53813931      8.49665352    -15.60299207
  H     14.42201163     12.47794545    -11.37373116
  O     14.28044102     11.71520570    -14.63458459
  H     15.02305802      8.76263885    -15.62739202
  H     18.79542751     15.34601731    -12.67728032
  O     20.02773090      9.81769643    -11.78751846
  H     13.85546848     10.85716415    -14.52632132
  H     19.83779262     16.05178886    -11.78306169
  O     20.23040930     12.57035761    -12.45303553
  H     15.22221117     11.55065675    -14.47271201
  H     19.79396278     11.86460029    -15.67340606
  O     15.06084266      9.17621576    -11.96285733
  H     20.18562525     10.76895270    -11.81765494
  H     21.25865944     12.36272909    -15.46440960
  O     17.86193424      8.52793693    -14.29136284
  H     20.34531861      9.48243655    -12.63571363
  H     18.54266635      8.91022173    -11.48649888
  O     14.63408217     12.59233658    -17.27089104
  H     20.36034622     12.33116045    -13.38160640
  H     17.92753346      7.65571348    -10.83105452
  O     17.83946662     14.80125709    -16.02696846
  H     20.24330845     13.53400775    -12.41187531
  H     14.94506874     14.26942239    -16.99209752
  O     18.16754913     12.07562536    -16.43717843
  H     15.94477048      8.87551645    -11.72829122
  H     14.65228530     15.75981234    -17.29115857
  O     13.68832100      8.98839086    -14.27721622
  H     14.96984412     10.06351874    -11.58561339
  H     19.55246166     15.44274368    -15.63768331
  O     16.46547990     10.54530858    -18.07525044
  H     18.80627336      8.64893359    -14.45462111
  H     20.30429802     15.64504371    -14.30750027
  O     14.98680843     11.79236498    -11.02031143
  H     17.76978047      8.29123602    -13.35926267
  H     17.46551947     14.88251962    -14.24550539
  O     19.74385548     15.39859935    -12.47248267
  H     14.39825358     12.25085357    -16.39672893
  H     16.19136339     14.85986944    -13.38723272
  O     20.59295719     11.73640380    -15.14368770
  H     15.21940312     11.93238001    -17.65850158
  H     21.65273525     14.45407524    -15.76743022
  O     17.76357277      8.32709102    -11.48872039
  H     17.97739472     13.87263028    -16.26239388
  H     22.97959049     14.09852576    -16.46302174
  O     15.13771736     15.18221837    -16.70855634
  H     16.95782873     15.04080952    -16.34001743
  H     21.36696882      8.65230133    -14.88408487
  O     20.42726663     15.61447405    -15.26317797
  H     17.71287354     11.59399584    -17.13745100
  H     20.67199377     10.02998895    -14.77129970
  O     17.15462638     14.93938372    -13.33030958
  H     17.71878932     11.82304420    -15.61346163
  H     17.21326801     10.27096758    -14.14779661
  O     22.25015604     13.71693338    -15.98359071
  H     14.17683728      9.00086354    -13.43309238
  H     17.16256295     11.59772849    -13.31551217
  O     20.62018517      9.09856610    -14.49381953
  H     12.91467513      8.44968112    -14.13733964
  H     14.33181598     13.51014664    -14.11698802
  O     16.96243457     11.20251256    -14.17270430
  H     16.50440954     10.10999969    -18.92243450
  H     14.61895198     14.82517470    -14.85087599
  O     14.53782131     14.44303349    -13.96757270
  H     16.20739810      9.86672834    -17.42523832
  H     17.32721236     13.45352190    -12.32335613
  O     17.50898022     12.62406580    -11.85672257
  H     15.89419404     12.09647999    -11.17363771
  H     18.46580395     12.50476467    -11.90387345
          69
 Energy    -248.14022678044813     
  O     -2.58457721      2.97599185     -3.84924481
  H     -3.02478340      2.12692768     -3.70353772
  H     -4.35584519     -0.41837214      2.49765734
  O     -5.01308751      3.08431554      1.34327668
  H     -1.68918105      2.85982677     -3.50863135
  H     -1.01952586      2.46970638      1.24478972
  O     -3.43229267     -0.98272887      1.01509704
  H     -4.40266073      2.93579065      2.07799781
  H     -1.59767010      2.02681443      2.60772713
  O     -0.74296040     -0.40540410     -1.79752501
  H     -5.80636874      2.56634274      1.53204772
  H     -2.17451893      3.94130512     -0.37396876
  O     -4.07734467      0.75225701     -3.02966373
  H     -2.48131203     -1.11511832      1.11369594
  H     -1.04283748      3.08017365     -1.06711403
  O     -5.10555057     -1.86003009     -1.03542350
  H     -3.52061805     -0.16214329      0.50540744
  H      2.71886402     -1.80057835      1.31358172
  O     -2.95010440     -1.71257949     -3.02740872
  H     -1.43594290     -0.94625780     -2.19272313
  H      2.17203093     -1.01262241      0.09759387
  O     -0.22759088      2.25547686     -2.48849401
  H     -0.80208650     -0.50927387     -0.83724352
  H      1.02010918      1.89089119      1.66174339
  O     -0.68509276     -0.67782976      0.99991287
  H     -3.89849869      0.93362683     -2.09201895
  H      2.05009480      0.78752738      1.34918463
  O      2.07631790     -0.56350721     -1.60024217
  H     -4.96949929      1.07789022     -3.19277609
  H     -7.24164788      2.29687476     -3.57623851
  O     -7.06135932      1.21241104      1.78343093
  H     -4.57876645     -1.74471059     -0.23168053
  H     -5.97993403      2.96384409     -2.98761002
  O     -4.81349350      0.10333439      3.17265981
  H     -4.45562144     -1.98676746     -1.73371531
  H     -3.30641528      2.62826926      4.36198409
  O     -0.84260007      1.91224349      2.01998552
  H     -3.37950109     -0.84764839     -3.15369731
  H     -3.78358152      1.47028018      3.45186883
  O     -1.49130107      3.26920185     -0.23375616
  H     -2.95470553     -2.14931978     -3.87580755
  H     -6.29076065     -0.46426320     -0.91508633
  O      2.09592909     -1.12463116      1.06238711
  H      0.69203775      2.36911716     -2.21704185
  H     -6.75320499      0.91126107     -1.48163356
  O      1.88856561      1.73580730      1.26865733
  H     -0.44810187      1.32845740     -2.31183965
  H     -2.77507278      1.95515386     -0.39546709
  O     -6.50175761      2.14540566     -2.99249131
  H     -0.75384445      0.20771117      1.38736120
  H     -4.22119138      1.91236480      0.11273492
  O     -3.26323220      2.29422871      3.46950388
  H      0.22659917     -0.96601638      1.12442799
  H     -4.28054311      4.37158809      0.17176721
  O     -6.84375435      0.31075710     -0.73588098
  H      2.29418230      0.37560697     -1.65219154
  H     -4.16276915      4.71258745     -1.32963805
  O     -3.57457973      1.41334080     -0.40236176
  H      1.13696811     -0.62409383     -1.82158814
  H     -4.86205526      5.18047492     -3.60445908
  O     -3.73403193      4.83809565     -0.47578838
  H     -7.02787761      0.84766167      0.87976305
  H     -3.95837651      3.94082917     -3.40525649
  O     -4.79188898      4.36018575     -3.12213546
  H     -7.97536736      1.19459662      2.05259199
  H      2.18364611      2.17142320     -0.40837574
  O      2.34566542      2.28802372     -1.36174079
  H     -5.65016649      0.37730785      2.77754498
  H      3.10216726      2.86261923     -1.44230799
          69
 Energy    -248.14014029441330     
  O     13.23824117     11.07772896    -15.92041419
  H     13.42248190     11.84586271    -15.36604442
  H     14.11976383      9.96855814    -10.87610899
  O     16.99694280     10.44678743    -13.66462143
  H     12.97624643     10.37226400    -15.31400525
  H     19.29156884      6.67811385    -16.04034765
  O     12.84532032      5.76740655    -12.84034193
  H     16.17224741     10.55852022    -13.17533917
  H     18.02276516      7.42330535    -15.57022959
  O     17.41298680      7.08604287     -8.29490445
  H     17.70688184     10.33549085    -13.01676970
  H     14.09102996     14.07905681    -14.09025452
  O     16.49880811     12.47405917    -15.51519250
  H     13.40062109      6.05019344    -13.57415825
  H     15.06639308     13.01708112    -14.65245565
  O     16.10009436      7.39573771    -12.01014169
  H     13.45544365      5.41847037    -12.17116684
  H     13.54295464      8.38692619    -14.19403899
  O     14.46906274     10.88704354    -12.47706538
  H     17.84810349      6.52388739     -8.96075774
  H     12.39462474      8.76796056    -13.22429116
  O     18.84300149      7.18001388    -12.53630567
  H     17.94583590      7.04179494     -7.50565703
  H     15.25686117     10.65239269    -18.33518879
  O     18.80491408      9.88476362    -11.70031555
  H     16.84758198     11.85029453    -14.86123346
  H     14.61527806     10.70128715    -16.92919630
  O     16.77721223      4.85277788    -14.20053035
  H     16.26631078     11.93604419    -16.28046936
  H     10.91551861      7.82048201    -11.33436358
  O     17.03618425      3.68814925    -11.71672304
  H     16.22952277      8.08415461    -11.34775127
  H     12.11518644      7.11683233    -12.01370175
  O     13.91884119      9.28992879    -10.21466417
  H     15.66886953      6.64821710    -11.57521927
  H     14.36058137      7.62430582     -9.11269071
  O     18.64272208      6.71071785    -15.34181038
  H     13.94444852     10.26907205    -13.00695788
  H     15.55212867      6.86331866     -8.48441940
  O     14.22941670     13.13928215    -14.16901102
  H     14.35018280     11.75344400    -12.88654786
  H     15.49656994      4.54230560    -11.02397590
  O     12.92652424      9.09369376    -13.96118765
  H     18.97097546      7.01522863    -13.47622295
  H     14.69403350      5.55240552    -10.09806523
  O     15.44657709     10.53240705    -17.40860162
  H     17.88216836      7.20569497    -12.40363279
  H     18.87125626      6.13714931    -10.98474607
  O     11.81121773      7.95938163    -11.63090277
  H     19.03034038      8.98032146    -11.95604542
  H     18.10395333      4.85246574    -10.65673469
  O     14.63894741      6.76206178     -8.78490921
  H     18.15538290      9.79892680    -10.98835297
  H     15.28648617      7.26144193    -13.54583027
  O     14.74805094      5.14754680    -10.97701772
  H     17.50489960      5.33330628    -14.61448742
  H     15.44558679      7.59046947    -15.04565479
  O     18.56299438      5.59478940    -10.24600054
  H     16.00570429      5.41059949    -14.34394422
  H     16.98084997      8.58538803     -9.28579771
  O     14.88645328      7.11118456    -14.42014078
  H     17.15735748      2.74885548    -11.82988253
  H     15.75660102      9.38395342     -9.83099868
  O     16.70712713      9.24843017     -9.93444801
  H     16.97338327      4.07008112    -12.60971928
  H     16.35885863      9.23628560    -16.44343399
  O     16.75504795      8.68798706    -15.75523397
  H     13.17383696      8.80318483    -10.58998850
  H     16.88954338      9.26819434    -14.98829852
          69
 Energy    -248.13999825197470     
  O     15.40225498     10.01087076    -16.58311606
  H     15.96965564      9.50797327    -15.97664334
  H     18.86142559     11.03470902    -16.91140303
  O     14.82027317      5.65100435    -13.28901278
  H     14.53970114     10.06508095    -16.15895921
  H     17.94347831      8.75784402    -14.85264738
  O     16.86162387     13.63537478    -11.28253409
  H     14.72388460      4.78256697    -12.90747146
  H     16.94735940      7.58685700    -15.14805913
  O     19.72889625      9.32949422    -14.66450434
  H     15.51372179      5.58600977    -13.96961637
  H     12.13147611     10.05040426    -15.32484622
  O     14.77749846      5.92706207    -17.43658067
  H     16.21332331     13.07256122    -10.84010165
  H     13.08968589      8.85590902    -15.10347871
  O     17.54675966     10.48799588     -9.32829419
  H     17.71269627     13.40579174    -10.88884133
  H     17.38045182      8.32648311    -11.59956825
  O     15.78758064      8.14981142    -12.47993750
  H     19.84549735      9.78709301    -15.50551920
  H     18.55393852      9.32718893    -11.73837559
  O     16.74849722     12.18009440    -13.61766046
  H     19.60816003      9.99496606    -13.97070648
  H     13.73792868      6.75379939    -16.05649314
  O     19.75524504      6.96613658    -13.29338640
  H     15.21863492      6.67930712    -17.87525156
  H     13.69143735      6.62574055    -14.52460867
  O     19.35024764      5.76221062    -15.68992219
  H     14.44236655      5.36196307    -18.12638676
  H     18.67806401     11.74571619     -9.78376188
  O     16.61133507      5.72708301    -15.34802347
  H     16.66518488     10.76804640     -9.60423606
  H     19.90521375     12.66499731     -9.56641138
  O     19.62945940     10.49219838    -17.16885334
  H     17.76124730      9.69635734     -9.83847973
  H     18.21884160     11.35074860    -12.97539511
  O     17.01000296      8.51421522    -14.88599893
  H     15.38299926      7.27948698    -12.56978526
  H     19.25493364     11.48720095    -11.83068083
  O     13.01281528      9.82506407    -15.03850877
  H     16.23515276      8.32863090    -13.32413406
  H     14.79702384     11.27838631    -11.15325088
  O     18.27213172      8.52291429    -11.27910135
  H     16.77753589     12.84529179    -12.91352157
  H     14.26346458     11.72612579     -9.77626221
  O     13.34504903      7.13915766    -15.26338493
  H     15.97176606     11.63337058    -13.44793731
  H     19.12338854      8.67460303    -17.58950129
  O     19.23748993     12.42520996    -10.20260914
  H     19.30908331      7.24778328    -12.48854969
  H     19.08082540      7.21027548    -17.08044966
  O     19.00950194     10.94574601    -12.58990070
  H     19.92480107      7.78951443    -13.77880586
  H     14.93918363      9.70064874    -12.59170527
  O     15.06489641     11.61259895    -10.28195197
  H     19.51466537      6.11226193    -14.79566641
  H     13.93594600     10.42134895    -13.52056191
  O     18.76459474      7.79779959    -17.77412215
  H     20.05943593      5.15331126    -15.87883863
  H     17.29505833     12.12168679    -15.42016408
  O     14.54545424     10.56514518    -12.78710361
  H     17.54146988      5.58028940    -15.56330395
  H     16.68626383     11.34550311    -16.59059808
  O     17.46005205     11.86711130    -16.33691117
  H     16.08314415      5.69993559    -16.15763773
  H     17.03453607      7.92838992    -18.29401811
  O     16.08034847      8.01470376    -18.43745996
  H     20.16009094     11.02668630    -17.75278375
  H     15.79808566      8.79720125    -17.94641271
          69
 Energy    -248.13956532867914     
  O     12.05178092     11.35906934    -14.63133157
  H     12.72112920     11.99096014    -14.34999234
  H     15.65596505      6.63100392    -15.63903592
  O     15.54830678      6.89038318    -13.85672536
  H     12.41591284     10.90802331    -15.40759894
  H     18.48291148      8.52527692    -14.74196358
  O     16.93906690     10.18371846    -10.98122596
  H     16.23172203      7.05726137    -13.19447858
  H     18.40130462      8.15065104    -13.22892536
  O     16.57482800     11.86151976    -14.61736310
  H     14.74428915      6.68613006    -13.36178466
  H     15.26919813      8.61905289    -14.37095709
  O     12.83460644      7.15512783    -16.92353300
  H     17.59258307     10.63385419    -11.52918419
  H     14.47288306      9.63695810    -15.25080113
  O     14.18162700      7.90563945     -8.95188529
  H     16.06698933     10.41293931    -11.33631578
  H     11.22514871     10.15766663    -13.68613505
  O     13.43012811      6.42872321    -12.12546453
  H     16.13302487     10.99605222    -14.61773646
  H      9.85542764      9.64387010    -13.18687875
  O     14.48020449     10.73028241    -12.11376443
  H     17.33558454     11.78124392    -14.02910768
  H     12.31890511      6.66205991    -13.64769160
  O     17.24104529     10.93922553    -17.22719790
  H     12.26796252      6.64129051    -17.49268978
  H     11.44055585      7.86171531    -14.04516841
  O     15.49382442      5.92590622    -10.21142624
  H     12.47645035      7.06924207    -16.02139566
  H     19.59817829     11.62966719    -12.82508317
  O     17.94815220      8.25576140    -16.53927953
  H     13.53105260      8.31171780     -9.53708005
  H     18.82290865     10.36723634    -13.27826359
  O     15.67361889      6.77663159    -16.59721480
  H     14.77675289      8.60961367     -8.65612001
  H     17.16044900      8.38633453    -11.44056405
  O     18.80377741      8.75735982    -13.86160975
  H     13.14450885      7.27879243    -11.75856235
  H     16.78519391      6.90389598    -11.19066721
  O     15.08414486      9.55544821    -14.50650191
  H     14.05658404      6.06399225    -11.48899379
  H     16.47504739     10.02264541     -9.23003909
  O     10.78654107      9.43802006    -13.19785856
  H     14.61783507     10.22799518    -12.93365389
  H     16.43108202     10.51061552     -7.77251566
  O     11.86292709      7.06756504    -14.39516521
  H     14.30503173     11.63350069    -12.39967683
  H     14.96317757     11.40579586    -19.41992875
  O     18.72287794     11.25866098    -12.89320747
  H     17.10455388     11.39967595    -16.39026895
  H     15.74994184     10.96146023    -18.17409298
  O     17.27470413      7.48907320    -11.78342073
  H     17.51151776     10.04077859    -16.99847512
  H     13.28850190      9.59701823    -11.36844576
  O     16.06475424      9.86064128     -8.36640558
  H     15.63817897      5.18405303     -9.63046504
  H     11.87955134      9.08683886    -11.70909622
  O     14.87276975     10.94100727    -18.59308902
  H     15.04190308      6.61227009     -9.68550332
  H     15.08182194     12.75010395    -14.08779651
  O     12.63336118      8.92574701    -11.12801231
  H     17.12001140      7.75222724    -16.62540583
  H     14.25807861     14.00642613    -13.72986058
  O     14.24226187     13.05325757    -13.70304896
  H     18.58480864      7.82207227    -17.10312280
  H     13.80668352     10.27164007    -17.36076216
  O     13.31343621      9.89225773    -16.61815206
  H     14.75178143      6.88767649    -16.85259759
  H     13.09199263      8.97985259    -16.84113439
          69
 Energy    -248.13945892698129     
  O     14.36752849      7.19754578    -11.26421702
  H     14.59481790      6.27078145    -11.40958790
  H     13.43820189      8.20653313    -15.72939026
  O     15.67777715      5.54458316    -15.70150118
  H     13.54650457      7.37122201    -11.74566317
  H     17.49689121      7.62357622    -18.03163577
  O     17.24598231     10.87418269     -9.94850098
  H     16.11174412      6.13209775    -16.33207949
  H     17.63221869      7.59903673    -16.48756579
  O     18.02135815     10.07001666    -13.65443242
  H     16.14525547      5.66233433    -14.86571632
  H     17.14542568     11.71713453    -14.04909526
  O     10.99243979     10.20178759    -12.58706201
  H     16.69004328     10.11859477     -9.71865728
  H     16.34227045     12.66827899    -13.15098980
  O     17.02819410      5.94129741    -13.20561119
  H     16.67729827     11.51906356    -10.38677175
  H     15.32339920      8.25866181    -12.55889541
  O     12.10781283      7.61112367    -12.81927711
  H     17.17466693      9.68840724    -13.37463574
  H     14.88306046      9.71390051    -12.84224591
  O     15.55177734     12.67390372    -11.33077135
  H     18.59201577     10.07587585    -12.87530758
  H     14.06900733      4.53333999    -12.43287813
  O     14.17123921     11.57011714    -15.22826353
  H     11.07676056     10.33277364    -13.55030493
  H     14.94657932      3.70072116    -11.46751191
  O     13.04294241      5.09802596    -16.00745683
  H     10.15088198     10.56806728    -12.33062249
  H     12.21037573      5.69317421    -13.00849910
  O     15.02939913      9.00394457    -15.84829219
  H     16.38818457      5.33870450    -12.80781645
  H     12.64142751      4.81693689    -14.20170391
  O     12.55756504      7.83659774    -15.56440635
  H     17.41006530      6.43622461    -12.46333308
  H     20.22428706     10.20097178    -10.85522725
  O     16.99525267      7.54875004    -17.22548549
  H     12.30716418      7.68914223    -13.76438051
  H     18.68341396     10.30707197    -10.72083284
  O     16.52204757     12.45556409    -14.07346597
  H     11.61198394      8.40526167    -12.59105722
  H     18.44384697      8.51757379    -14.58661734
  O     15.50773949      9.02665991    -13.10955706
  H     14.82230765     12.13532970    -11.68111753
  H     18.09771487      7.02228226    -14.37979469
  O     14.91489849      4.52223429    -11.95014674
  H     15.16499606     13.48680427    -11.01391382
  H     17.32344266      7.70125760    -10.42420491
  O     12.55281392      4.82057054    -13.23948992
  H     14.98028139     12.02772817    -14.95262001
  H     18.58509847      8.15251532    -11.16835138
  O     19.40445867      9.88864588    -11.22679421
  H     14.46811537     10.72651708    -15.59980189
  H     11.75022640      9.54744957    -15.49232215
  O     18.48385817      7.64744809    -15.00592350
  H     14.00614663      5.21856881    -15.90935060
  H     12.31694491     10.98097248    -15.37942884
  O     17.96962577      7.41487054    -11.07929135
  H     12.91098455      4.48894854    -16.72844383
  H     15.62930800      8.13738898     -8.50583636
  O     11.52514545     10.44993370    -15.22660761
  H     15.29676173      8.90824312    -14.92168834
  H     15.24260216      8.04870920     -9.99850697
  O     15.86274361      8.45984004     -9.37303495
  H     15.70145646      8.58095183    -16.39452574
  H     12.76030930     10.81035266    -12.41038762
  O     13.67444148     11.08565487    -12.53992824
  H     12.59482074      6.91077678    -15.83159109
  H     13.77668611     11.30910139    -13.47880700
          69
 Energy    -248.13932876198140     
  O     16.11492320      9.43624225    -11.93087443
  H     16.01912944     10.38908268    -12.05356723
  H     13.70003840     10.85275229     -8.94250043
  O     15.51850117      5.52615484     -6.36981757
  H     15.37259942      8.98535962    -12.35324561
  H     12.35866444      9.43432710     -5.69681055
  O     16.06387647     12.21041537    -11.95989771
  H     15.93646078      4.72849361     -6.05656632
  H     13.08481484      9.39439431     -7.06155565
  O     12.94480429      6.31061978     -7.23815794
  H     15.86939488      5.69647460     -7.26148039
  H     18.46369054      4.37946237    -11.66529419
  O     14.08386237      7.78744885    -12.83190214
  H     16.08403210     12.92611435    -12.58872129
  H     19.62803201      3.37652182    -11.61370485
  O     18.45792035      8.00196181    -11.79014659
  H     16.92115742     12.21712911    -11.49282911
  H     17.32092867      6.14538770     -9.06639920
  O     20.18385512      9.93764583    -10.63310737
  H     13.76017362      5.93872639     -6.87960463
  H     16.11489171      7.12490729     -8.95148951
  O     19.01938394      6.30557683     -9.62250133
  H     12.86684717      7.19138031     -6.85175000
  H     17.30679158     11.31317367     -7.53588943
  O     12.29588095      5.81364376     -9.80712471
  H     14.36067030      7.05799230    -12.25074804
  H     17.47018020     12.80395617     -7.16433084
  O     14.76613423     12.20722169     -9.38660460
  H     13.93229792      7.40828511    -13.69414216
  H     15.91891078      9.06962776    -10.16804926
  O     12.26554526      8.52773872    -10.72654051
  H     19.13299495      8.64639186    -11.54302313
  H     14.88690796      9.17138155     -9.01048371
  O     13.30035888     10.01423402     -8.66700217
  H     17.64242441      8.51323327    -11.89441349
  H     18.97390934     11.37621311    -10.56366810
  O     13.01095951      8.95164807     -6.19767043
  H     20.08264919      9.52567797     -9.75532646
  H     18.06039348     12.15383454     -9.57866723
  O     19.11234806      3.96645367    -11.07046562
  H     21.11885794     10.06759874    -10.76848565
  H     14.78168120      8.54049952     -5.60405276
  O     16.37685062      6.19482524     -8.86455328
  H     18.82935117      6.89228401    -10.37000197
  H     15.68939887      7.30091202     -5.62717792
  O     17.23778195     12.21928237     -7.88127930
  H     19.19806385      5.43453850    -10.00395467
  H     13.90911666      5.64801565    -10.73095326
  O     15.74976548      8.81252970     -9.25323760
  H     12.52017378      5.97523422     -8.87254011
  H     15.38457342      5.83238090    -10.34623087
  O     18.31792692     12.08127285    -10.50662442
  H     11.54634653      5.22425119     -9.80894843
  H     19.57806103      7.76207111     -8.57466212
  O     15.68578823      8.24647850     -5.43557755
  H     15.55077939     12.27203691     -8.82825135
  H     18.99265761      8.96209820     -7.78360983
  O     14.79241098      5.75648682    -11.10827108
  H     15.08539836     12.27285979    -10.29403340
  H     16.87093961      9.17094902     -6.42855109
  O     19.76013925      8.66847703     -8.29124386
  H     12.16219096      7.62875709    -10.38871931
  H     16.84728896      9.33964923     -7.95937647
  O     17.34067420      9.59000798     -7.16328104
  H     12.78518173      8.43210455    -11.53246726
  H     17.69287102      6.33209538    -12.43089096
  O     17.30582409      5.45512686    -12.55234469
  H     12.85397919      9.60026907     -9.42055559
  H     16.42613555      5.48270031    -12.15881297
          69
 Energy    -248.13919042925613     
  O     -3.62336405      4.70291699      4.28042897
  H     -3.21242500      4.50451924      3.42174005
  H     -5.17817417      3.58195685      4.53877807
  O      1.36833446      1.98525312     -0.00804088
  H     -3.55483287      5.64642800      4.40358156
  H     -3.12679100      5.18543623     -1.33116656
  O     -1.10123275     -0.12485103      2.85345167
  H      0.64123455      2.25812613     -0.59747275
  H     -3.42415743      3.71783906     -0.93027266
  O     -5.78514410      1.10616843      0.93197159
  H      2.18068191      2.23185576     -0.44201671
  H     -8.38368969      1.84475469      3.20089843
  O      0.07708601     -0.49424979      0.39460109
  H     -0.61199233      0.39649595      3.50032225
  H     -6.92732863      2.03998583      3.68302843
  O     -4.77623022     -1.89007429      4.95852709
  H     -1.88881854      0.38852668      2.61493429
  H     -2.56562079      4.21618293      1.02522446
  O     -6.76528378     -1.27687890      3.23269538
  H     -6.42915948      1.33158799      1.61492128
  H     -1.46861848      3.77678306      2.04853901
  O     -2.05582608      2.70157449      5.65622590
  H     -5.92335122      0.17724040      0.70485925
  H     -4.94480545      1.97537703     -0.43455939
  O     -2.34074571      0.23207970     -0.86584988
  H      0.65417995      0.26600392      0.25758224
  H     -3.62117663      1.53976663     -1.07452360
  O     -3.41119431     -2.17727960      0.22731469
  H     -0.27765691     -0.41796500      1.29365987
  H     -2.16584700     -1.64019437      3.01060936
  O     -0.79325475      2.57754581     -1.51974506
  H     -5.53044853     -1.71192547      4.36784182
  H     -3.46009308     -2.22235792      3.63043911
  O     -5.79698860      2.86045587      4.69791547
  H     -5.07310498     -2.52787245      5.60169554
  H      0.65867641      2.83334882      1.54422780
  O     -2.81824754      4.46920022     -0.78358264
  H     -6.56773031     -1.49143554      2.31282498
  H      0.31326553      2.74355845      3.05229511
  O     -7.49771285      1.50798375      3.09937784
  H     -7.07205626     -0.36194095      3.24120954
  H     -0.57831563      2.07283881      5.02276548
  O     -2.41668125      3.95701571      1.94198534
  H     -2.69494611      1.97495994      5.62167151
  H      0.85545742      1.55216054      5.28056897
  O     -4.27917401      2.24908656     -1.07891328
  H     -2.51949931      3.46601052      5.29676084
  H     -4.21016458     -0.13562722      5.13618786
  O     -2.85426928     -2.30737102      2.88603028
  H     -1.47816923      0.06972414     -0.46066633
  H     -3.77980183      0.95933080      4.11907653
  O      0.19210049      3.28089823      2.25972583
  H     -2.86768019     -0.52710867     -0.58788834
  H     -6.56327583     -2.11355469     -0.19295422
  O      0.19924953      1.66590153      4.59878021
  H     -3.25422936     -2.23742612      1.18444157
  H     -5.12785841     -1.89621722      0.33674399
  O     -3.97470713      0.79505462      5.05518443
  H     -2.63079494     -2.56761993     -0.18769453
  H     -0.42275441     -2.14220744     -0.29526828
  O     -6.05898419     -1.64534489      0.46742281
  H     -1.35185346      1.79065782     -1.50847945
  H     -0.33143259     -3.67370381     -0.27723051
  O     -0.86698514     -2.95051152     -0.59596042
  H     -1.37830754      3.31530399     -1.30989591
  H     -3.06220412      2.25994223      2.20717484
  O     -3.37952133      1.36618131      2.39326944
  H     -5.24796580      2.11779519      4.98875906
  H     -4.16579112      1.22564746      1.85295385
          69
 Energy    -248.13909327186235     
  O     -5.88803187      0.65826654      0.20484974
  H     -5.82936657      0.63790650      1.16888748
  H     -1.13435600      4.83249173      0.47655662
  O     -5.49843347      0.71485739     -4.18278909
  H     -5.48538723      1.49110471     -0.08152428
  H     -4.58269418      3.74161069     -0.01922754
  O     -5.36482299      0.66169916      2.96249340
  H     -5.03922080     -0.08935056     -4.45534017
  H     -3.68021031      2.50995209     -0.26266217
  O     -0.54550809     -1.27946926      1.95486484
  H     -6.13435515      0.43957265     -3.51067730
  H      1.19934226      1.57976438     -1.71516024
  O     -1.59786532     -0.80877623     -0.60198040
  H     -5.92180963      0.53548438      3.72623527
  H      2.51686974      1.89779227     -0.97729016
  O     -3.85365576     -1.60013017     -4.56582515
  H     -4.91441606      1.51726942      3.08326067
  H      0.37940940      3.28629352     -0.88262566
  O     -4.18262253     -1.56646126     -0.13093410
  H     -0.18683104     -2.05850152      2.37259846
  H     -0.66339343      3.89976880     -1.86840839
  O     -2.03520604     -0.06845083     -3.19185863
  H     -1.47183546     -1.21066171      2.24808133
  H     -6.12343453     -1.87338298     -2.33856397
  O     -3.58211211      2.32887007     -3.10316056
  H     -2.50270557     -1.12971625     -0.45507119
  H     -4.90248153     -2.33676816     -3.15526020
  O      0.90554061      1.19016950      1.93683201
  H     -1.08379084     -1.05451188      0.17593404
  H     -1.75688944      2.30891198      1.81563065
  O      0.38427035      1.39204053     -3.28041873
  H     -3.46964720     -2.02807128     -5.32666338
  H     -0.48098946      2.23176774      2.63820198
  O     -1.59161718      5.08784233      1.28833480
  H     -3.13341408     -1.12409356     -4.11869936
  H     -3.57883700     -1.53996348      1.64538320
  O     -4.51392432      2.93040593     -0.53598885
  H     -4.73220279     -0.77912197     -0.02260539
  H     -3.85650791     -0.55929136      2.78551283
  O      1.57084542      1.85104326     -0.85763379
  H     -4.56381174     -2.06507592     -0.86694642
  H     -1.87261364      0.95397596     -0.16561496
  O     -0.41679989      3.83158983     -0.93734691
  H     -2.54969666      0.74377363     -3.08628814
  H     -1.50227416      2.47439094     -0.31050595
  O     -5.42634725     -2.54086446     -2.37033754
  H     -1.82611022     -0.39706233     -2.30436605
  H     -3.32600619      5.17922931      1.23311745
  O     -1.36393031      2.62288073      2.64457937
  H     -4.28771461      1.85910024     -3.57299563
  H     -4.64763600      5.96718825      1.39355672
  O     -3.21768285     -1.21255303      2.48082963
  H     -3.95052981      2.61450672     -2.25688164
  H     -6.79901277      0.06989127     -1.23091595
  O     -2.13021721      1.85024882      0.07863532
  H      1.12551428      1.35624745      1.01346546
  H     -8.11727634     -0.22636393     -1.97744772
  O     -4.29714675      5.09421280      1.24004171
  H      0.47372832      0.32606837      1.95910583
  H     -3.09983074      2.87757802      3.22255355
  O     -7.16784853     -0.26198809     -2.06582391
  H     -0.32392232      0.73926585     -3.34703004
  H     -4.23445277      3.73828127      2.62498970
  O     -4.05996827      2.99927482      3.21847203
  H     -0.03065029      2.22410942     -3.53877809
  H     -2.13023200      3.26227106     -3.50333700
  O     -1.27508440      3.71095945     -3.62081108
  H     -1.39946525      4.37776999      1.91605103
  H     -1.39627402      4.35655425     -4.31210492
          69
 Energy    -248.13898143068940     
  O     15.89481772      4.87561467    -16.14005770
  H     16.09116042      5.81346975    -16.26394981
  H     17.50102861     12.04217050    -14.37524490
  O     17.52218664      6.44334445     -9.56111660
  H     14.93129889      4.81231410    -16.12068888
  H     16.73899142     10.81830909    -16.25478028
  O     13.42512745     10.76751212    -10.08162688
  H     18.20192535      5.94852511     -9.10990675
  H     16.11938764     10.86128758    -17.67174344
  O     19.75358806      9.81423587    -13.89228196
  H     17.56165311      6.16935393    -10.49534586
  H     16.66612420      9.06338087    -11.30220964
  O     16.69776394      3.71461705    -13.81090650
  H     12.75576176     11.43058829     -9.93095441
  H     15.62030664      9.70448892    -12.26172189
  O     12.87571408      7.94755536     -9.98085390
  H     13.81787374     10.96307454    -10.94865957
  H     12.31981853      4.34485980    -15.84205311
  O     14.10433327      7.00674608    -12.23585192
  H     19.13648606      9.06289768    -13.93243018
  H     13.32200728      4.62537080    -14.69557098
  O     18.84386897     11.21161448    -11.57368259
  H     20.60565642      9.48753405    -14.16838163
  H     15.31962194      8.99193648     -8.21942069
  O     15.06998768      7.08690074     -8.33658687
  H     16.48204011      4.12371811    -14.66803419
  H     14.83642417     10.28565477     -8.90320045
  O     16.09378424      7.68295584    -16.08970009
  H     17.04826689      2.84917116    -14.00446066
  H     17.13627607     13.70352765    -12.48540631
  O     17.75968875      5.72643101    -12.14479557
  H     13.56189772      7.62238606     -9.38410536
  H     17.64276598     12.26284965    -12.23357372
  O     17.83388102     11.53571734    -15.12558763
  H     12.97848541      8.90721428    -10.00673760
  H     17.84164379      8.33201206     -9.69898436
  O     16.09440201     10.38791394    -16.84462460
  H     13.52989460      7.26778824    -11.50253371
  H     17.06797333      9.61164503     -9.27070943
  O     16.13021351      8.90309880    -12.08870617
  H     14.89625514      7.55482580    -12.16122294
  H     14.33287196     10.99753496    -13.37021952
  O     13.07596870      4.87442534    -15.60587863
  H     18.58054846     10.56224920    -10.90779723
  H     15.39341329     11.84818134    -12.58023379
  O     15.56012018      9.91259670     -8.38414481
  H     19.26847779     10.72066725    -12.28796447
  H     13.25173375      6.73128713    -15.25663849
  O     16.97024407     12.79017691    -12.70296647
  H     14.92539405      6.44925629     -7.64083933
  H     13.69056360      7.40668263    -13.93884045
  O     17.76682056      9.27974895     -9.85736199
  H     15.87418474      6.81031025     -8.80192228
  H     14.90813676      4.05314131    -13.21306326
  O     14.65737836     11.23020707    -12.48578180
  H     16.15308912      8.56294248    -16.48163825
  H     14.05187072      5.23174882    -12.69713478
  O     13.56772691      7.56426120    -14.88714188
  H     15.22831088      7.64129081    -15.65591233
  H     13.64238946      9.43829911    -14.96711457
  O     13.99856968      4.35618344    -13.10739938
  H     17.89507806      6.43284597    -12.78906963
  H     14.59416671     10.44270962    -15.64282895
  O     13.92241911     10.36329525    -14.95551787
  H     17.41405949      4.97963810    -12.64829389
  H     17.32160456      7.75093094    -14.75031347
  O     17.83462565      7.89079897    -13.94408051
  H     18.56138966     11.00261624    -14.78281423
  H     17.22765935      8.29987139    -13.30600884
          69
 Energy    -248.13872519760372     
  O     15.11767054     10.24318500    -14.64739202
  H     15.50952537     10.20435511    -15.53352576
  H     19.29016281      5.21886521    -15.96863012
  O     13.87279090      4.29069830    -16.37886405
  H     14.22407915      9.89329780    -14.72810859
  H     19.04092421      7.22148099    -16.75458493
  O     17.83848435      6.25828084    -12.06006913
  H     13.86425851      4.21805231    -15.41623489
  H     17.55843246      7.52751078    -16.44959841
  O     16.68274490      6.43895223    -18.93327061
  H     13.67132775      5.21925720    -16.56381522
  H     16.69920651      5.80985936    -15.57464562
  O     13.98023279      5.94147747    -10.27441635
  H     17.35631305      7.03298567    -12.38089495
  H     15.44465098      6.71244947    -15.89717884
  O     14.00169626      4.50510706    -13.56664027
  H     18.74415729      6.34014196    -12.38726957
  H     12.99505669      8.14568971    -13.89009078
  O     16.44742819      8.31747661    -13.32435709
  H     16.52723189      5.53869906    -18.62365178
  H     11.78896526      8.96594286    -14.40240589
  O     17.72693614      4.27272055    -15.82103524
  H     17.39909713      6.80673558    -18.40350551
  H     16.37689189      3.02019212    -11.63072465
  O     13.36028038      3.26629297    -11.11346797
  H     14.88866825      5.82277679     -9.97075732
  H     16.32092835      3.63207643    -10.22555012
  O     19.08939023      8.94336965    -14.35709738
  H     13.64241473      5.05287130    -10.44268403
  H     13.96554055      7.51750550    -17.45755916
  O     16.00340682      3.79424186    -17.95060948
  H     13.94112821      5.44634305    -13.35512820
  H     13.31680012      7.64150601    -16.03881932
  O     19.98936137      5.88872212    -16.00082819
  H     13.65154945      4.02553191    -12.80492550
  H     21.19826254      6.98385339    -12.91763730
  O     18.32534699      7.84610003    -16.95235129
  H     16.43498051      7.69501532    -14.07311640
  H     19.97568390      7.62046281    -13.62165465
  O     16.30329390      6.68191967    -15.45649379
  H     16.01658607      9.12517976    -13.64795609
  H     15.78604111      4.13749166    -13.41717473
  O     12.66218683      8.66556092    -14.64162350
  H     17.40919960      3.92594170    -14.97570557
  H     17.12752989      4.72338662    -12.89017982
  O     16.02476251      2.87234348    -10.74267786
  H     17.18308416      3.92094330    -16.53710481
  H     17.19417696      5.74940098    -10.46395579
  O     13.77197959      7.03969705    -16.64072542
  H     14.28416769      3.01528776    -10.93340871
  H     17.25997960      5.72665081     -8.92032120
  O     20.32172886      6.79240240    -13.24168597
  H     12.81183631      2.55547684    -10.79360787
  H     15.39844319      7.60389329    -19.05262288
  O     16.72297155      3.93519286    -13.27723061
  H     18.21669101      8.96390819    -13.94799912
  H     14.40614953      8.49002100    -19.84675133
  O     16.74415033      5.42798542     -9.66535549
  H     18.93439690      8.76538535    -15.29216715
  H     14.78781508      7.60686360    -12.79398361
  O     14.69503269      8.27312802    -18.96478971
  H     15.84329312      3.06175036    -18.53950223
  H     13.86700706      6.85824694    -11.78464406
  O     13.91925870      7.19920689    -12.69058451
  H     15.19620514      3.91099002    -17.41681911
  H     17.10424488      9.37872487    -17.21911538
  O     16.27203658      9.86155924    -17.16153123
  H     20.21758519      6.06756655    -15.08236050
  H     15.69659667      9.45496256    -17.82056322
          69
 Energy    -248.13856118122459     
  O     11.80809495     10.29983886     -9.47821312
  H     11.75236030      9.43411438     -9.05382828
  H     15.55831308     12.78779576    -14.81382249
  O     13.26171213      5.53082787    -15.03489412
  H     11.11402464     10.30547927    -10.14904091
  H     15.99721555      7.45991569    -13.00138986
  O     18.58759396      9.50483704    -12.07460388
  H     12.74250804      5.08884439    -15.70214095
  H     15.93559666      9.00606976    -13.24074079
  O     17.84507263     10.70411789    -16.37126421
  H     13.75859558      6.23523977    -15.48539237
  H     11.07976380      7.36745052     -9.41246871
  O     12.37491652      9.56163387    -13.14512493
  H     18.78953696      9.30717649    -12.99678455
  H     11.31107820      7.10464956     -7.90423150
  O     16.10080153      6.18175550    -11.72723936
  H     18.65761448      8.66078705    -11.61246808
  H     19.25560277      6.98314179    -14.13952238
  O     12.32118010      6.80956304    -12.71085269
  H     17.65725870     10.76002985    -17.30583311
  H     18.94759893      5.47660572    -14.19127285
  O     16.15727697     10.70247006    -12.49661209
  H     17.11753153     11.15981670    -15.92250157
  H      9.95795703      8.15172421    -11.18945576
  O     15.62187764      4.40578530    -13.83269502
  H     12.75923288      9.77388499    -14.00797438
  H     10.80279913      6.92846261    -11.58421001
  O     14.80527708      7.54143573    -16.05828115
  H     13.03273955      9.74211549    -12.46082356
  H     18.37617282      9.31650547    -15.38686127
  O     17.32324923      6.72891958    -16.87183819
  H     15.41682476      6.43987537    -11.09442517
  H     17.60198595      8.33798853    -14.45428660
  O     15.74378507     11.85728055    -14.91500764
  H     16.97131081      6.35870903    -11.34888576
  H     18.08508005      3.50759895    -15.58195564
  O     15.95168252      8.14710372    -13.67895190
  H     12.58953847      6.30252125    -13.48526705
  H     17.05546434      4.35304934    -14.79484661
  O     11.68979484      7.52825618     -8.66964446
  H     12.32422278      7.74405392    -12.96561089
  H     19.04014848      6.49779625    -11.99427961
  O     19.38417355      6.15357536    -13.65996911
  H     17.02576791     10.39096293    -12.19974169
  H     19.41015392      6.47506986    -10.49029356
  O     10.18435148      7.25344533    -10.91584170
  H     15.49693371     10.51821635    -11.81361859
  H     14.32313965     10.67282341    -15.44151451
  O     18.47427700      8.52831184    -14.83342289
  H     15.76699350      4.93265823    -13.03450891
  H     13.96717937      9.23741131    -15.90421990
  O     17.87517057      4.39967021    -15.31917962
  H     14.78625947      4.70200258    -14.20996743
  H     13.34234860      6.90154922    -11.21529565
  O     18.75670692      6.79143448    -11.10824079
  H     15.58725472      7.24283013    -16.54222753
  H     13.23405475      7.16386838     -9.69123331
  O     13.59325578     10.05005198    -15.53918172
  H     15.13621591      7.77922078    -15.17569159
  H     13.37996561     10.18265039    -10.36505326
  O     13.86318622      7.09208651    -10.41898091
  H     17.84693170      7.36735260    -16.37603011
  H     14.16275444      8.90396888    -10.73039339
  O     14.09870908      9.84896873    -10.92157874
  H     17.51208342      5.87724461    -16.45569908
  H      9.43039649     10.54918746    -12.19478824
  O     10.05120383      9.97944210    -11.74829858
  H     15.89960488     11.50543237    -14.02060692
  H     10.82070890      9.88829013    -12.33634826
          69
 Ord_Energy   -248.138428    
 O   -2.15785837       2.09494400       1.39748728    
 H   -2.50916576       2.27320695       2.27837658    
 H   -1.77299297       1.20803070       1.42711723    
 O   -4.51506996       1.98427975     -0.163903221    
 H   -3.71352243       2.00696516      0.377615929    
 H   -4.23142529       2.22642350      -1.05391347    
 O   -1.66257501      -2.63795042      -3.61493087    
 H   -2.26885438      -3.19900274      -3.11226916    
 H  -0.810496151      -2.69538593      -3.16533208    
 O   -6.15836477      -3.76732373       1.86976326    
 H   -6.13385534      -3.68315148      0.899505377    
 H   -6.90370321      -4.32464695       2.07882476    
 O   0.279377520      -2.54878473       2.53042531    
 H   0.275181442      -3.10781193       1.73102653    
 H    1.15171945      -2.60889864       2.90964460    
 O   -5.56329918     -0.594498515     -0.226066753    
 H   -5.70629644     -0.746790767      0.719950020    
 H   -5.29714394      0.330265135     -0.316844642    
 O   -3.16532683     -0.579753697       3.53364563    
 H   -3.24090266      0.338746518       3.82115126    
 H   -2.52165556     -0.583684802       2.81428289    
 O   -5.96715879      -3.34311032     -0.805645287    
 H   -5.96016407      -2.37709713     -0.830498815    
 H   -5.15339661      -3.63576651      -1.23542619    
 O   -3.47574782      -4.75072002       2.08816123    
 H   -3.03259158      -4.26117897       2.79557180    
 H   -4.38847685      -4.44541073       2.06582141    
 O   -2.06762075      -6.82642907E-02  -2.82348633    
 H   -1.25058258       6.39949292E-02  -2.32441115    
 H   -1.98942828     -0.920077503      -3.27996159    
 O   -5.73584366      -1.05176294       2.49996710    
 H   -4.85589886     -0.980709791       2.89573646    
 H   -5.93702412      -1.99346995       2.42443371    
 O   -3.31407261      -3.90741134      -1.70056021    
 H   -2.90597129      -4.62048101      -1.19343352    
 H   -3.13679266      -3.09322953      -1.20558357    
 O   -2.95774746      -1.40712750     -0.515640557    
 H   -3.88362432      -1.17802966     -0.354349256    
 H   -2.69850421     -0.945461869      -1.32414985    
 O  -0.852362573       2.71032882      -1.03579998    
 H   -1.23951173       2.69931912     -0.149553016    
 H   -1.59965742       2.79456258      -1.63909280    
 O   0.162321061      -3.92483687      0.245235622    
 H  -0.555675387      -4.55565357      0.107188292    
 H   0.340257555      -3.49153876     -0.596893847    
 O   -3.52037859       2.20788765       3.87357140    
 H   -4.38244534       2.14760327       3.42220473    
 H   -3.62665486       2.81811595       4.59780216    
 O   -5.77376604       1.81311202       2.42615151    
 H   -5.55237961       1.98186791       1.50172496    
 H   -5.97095776      0.869460046       2.49189901    
 O   -2.13617754      -3.19814348       3.94995999    
 H   -2.54546213      -2.32727170       4.02453518    
 H   -1.26154816      -3.04459524       3.57228184    
 O   -3.25327873       2.39120626      -2.65711737    
 H   -2.90680623       1.49594557      -2.81522894    
 H   -3.48983407       2.74833131      -3.50937939    
 O   -1.24745882     -0.554474115       1.39167500    
 H  -0.683207214      -1.22414351       1.80146360    
 H   -1.85133374     -0.981367826      0.760401368    
 O   0.768910825      -2.35939646      -2.07216644    
 H   0.652758837      -1.45319271      -1.74507296    
 H    1.62735987      -2.38778591      -2.48998070    
 O   0.137636602      0.156834945      -1.04527652    
 H  -0.197845459     -0.109025523     -0.180670142    
 H   -1.80577803E-02   1.11287391      -1.10033870    
 O   -2.03455353      -5.68473816       4.14411202E-02
 H   -2.56159449      -5.37618732      0.803281665    
 H   -2.01083279      -6.63624811       8.90066773E-02
          69
 Energy    -248.13813307181348     
  O     12.86612434     12.22676746    -12.25541733
  H     13.47397760     12.07389505    -11.52149318
  H     19.31359385     13.75634780    -15.71914812
  O     19.64585853      6.70771317    -11.70267486
  H     12.55279810     11.35579186    -12.52762671
  H     12.63589975      9.86240096    -14.87017671
  O     17.85680833     10.77139754    -11.72928669
  H     20.35538980      6.29805668    -11.21541305
  H     13.86598847      9.33730309    -15.63235811
  O     15.66542251      6.99315427    -12.87606340
  H     20.06001611      7.26712655    -12.38474607
  H     15.52979335     10.02459791    -13.97072200
  O     13.18647197      7.66039171    -11.59832550
  H     17.07360135     10.74117529    -12.31134138
  H     15.36062977     11.53092439    -13.64028004
  O     17.98146439      5.66842133    -13.79806549
  H     17.77912559     11.58059162    -11.21551392
  H     13.74618165     11.36632971    -16.38448133
  O     14.62583770     13.21785490    -14.11364378
  H     16.25116544      7.44391463    -12.24927421
  H     13.69342340     12.48894179    -17.44763753
  O     17.93961423      9.29333155    -15.96803093
  H     14.77400773      7.08615283    -12.52293579
  H     15.75261105      8.73629980    -10.18902763
  O     17.36194647      8.18863609    -10.99238002
  H     12.76804378      6.97951100    -11.07747857
  H     14.85658648      9.99532582    -10.04254979
  O     17.04136301     11.86156255    -16.78678992
  H     13.74870661      8.17376299    -10.98782303
  H     20.36203554      9.09933803    -13.83134103
  O     19.27349974      6.82896554    -15.88977739
  H     17.09757126      5.97033314    -13.55232351
  H     20.33580789      7.73423645    -14.54977061
  O     18.77932467     13.17474657    -15.18468559
  H     18.54444374      5.86660240    -13.03903068
  H     16.16688597     13.89106479    -13.48067772
  O     13.09494650      9.91943097    -15.71523191
  H     13.89369768     12.97560086    -13.52626977
  H     17.68102838     13.81886519    -13.77410946
  O     15.73413915     10.70271335    -13.31865963
  H     14.38984346     12.97669538    -15.01710530
  H     17.60518671     13.86114271    -10.04595873
  O     14.18606261     12.17920930    -16.69248538
  H     18.40221983      8.45565360    -16.09434358
  H     17.08418995     13.58712257    -11.47769182
  O     14.85176731      9.03155301    -10.00107622
  H     18.40874221      9.75991378    -15.26172840
  H     15.52756951     12.37203311    -10.22464947
  O     20.64507854      8.17835689    -13.75080048
  H     18.15528593      7.65090210    -11.10173210
  H     14.34712174     12.29151033     -9.23856330
  O     17.03952463     14.07850724    -13.10328461
  H     17.61127172      9.09934365    -11.21242153
  H     18.93542749     10.72042887    -13.16870359
  O     17.10595672     13.23814236    -10.56616910
  H     17.26313676     10.92812135    -16.67422445
  H     19.34098861     11.56808353    -14.39749205
  O     14.70355470     11.89875493    -10.03348018
  H     16.07975415     11.92969202    -16.78847729
  H     10.98768705      9.48086632    -13.02441556
  O     19.41534645     10.68803209    -14.00895916
  H     19.54406941      6.17208311    -16.52521048
  H     12.37306009      8.94015423    -12.61667610
  O     11.92489475      9.64519571    -13.10840165
  H     18.76969502      6.36180347    -15.19909840
  H     15.50976695      7.93598868    -14.42812256
  O     15.40240515      8.55671929    -15.16070067
  H     18.12960040     12.76437198    -15.78447965
  H     16.28450074      8.76385582    -15.49856736
          69
 Energy    -248.13758949956957     
  O     -2.74139319     -3.24811434      2.35289853
  H     -2.68785718     -4.03795442      1.80027247
  H      2.30711194     -4.29381255     -4.77939525
  O      0.62911684     -1.44077354     -2.17707787
  H     -3.00793120     -2.52880984      1.76923424
  H      2.81854770     -3.56301032      1.96057351
  O     -2.48782096     -5.44457029      0.54591326
  H      1.56562924     -1.64603767     -2.29796555
  H      3.70766474     -2.32071358      1.77470780
  O      0.89961665      2.37181292      1.36625467
  H      0.14446061     -2.26402863     -2.32191794
  H      3.18325822     -5.41858017     -1.15544291
  O      2.09408998      1.18753560      3.48977661
  H     -2.80979532     -6.34169634      0.57758821
  H      2.30761930     -5.53663118     -2.40581771
  O      3.21032688     -0.54350863      1.55437802
  H     -1.54102468     -5.49458971      0.32843574
  H     -1.14758769      0.34820599      2.00921043
  O      3.69268267      0.11243087     -1.15003569
  H      0.06006280      1.92289981      1.21605752
  H     -2.09402861     -0.04664737      0.83341031
  O     -3.39617156     -1.24253840      0.37916898
  H      1.33057223      2.42982300      0.50438394
  H     -0.48412276     -1.02905157      3.82806956
  O     -0.44315788     -3.96803568     -2.49275711
  H      1.70505167      1.69654579      2.75439364
  H      0.42132599      0.22722303      3.68587572
  O      4.49935797     -4.16695937     -0.66410309
  H      2.42398155      1.82342912      4.11891149
  H     -0.97534680     -3.25280638      4.97159329
  O      3.30134040     -2.27933118     -2.38911389
  H      2.35166695     -0.80672281      1.18750740
  H     -1.50170395     -3.01949539      3.53386683
  O      2.02903180     -4.26339486     -3.86740305
  H      3.00573825      0.03815015      2.29515008
  H     -2.16425101     -3.46057292     -1.89426600
  O      3.72016759     -3.28735393      1.75031345
  H      3.69863562     -0.06134385     -0.19928340
  H     -2.92225957     -4.08696606     -0.71992706
  O      2.42805572     -5.89867155     -1.52029318
  H      3.14938277      0.90102723     -1.26456361
  H      1.05584070      1.94322973     -1.51864545
  O     -1.33311428      0.50213484      1.06665603
  H     -3.20525489     -1.92045598     -0.29319221
  H      1.99337745      3.12663483     -1.85412406
  O     -0.47579386     -0.10340814      3.55682465
  H     -4.30045166     -0.97071298      0.24043288
  H      0.46531395     -4.79605507      0.67921612
  O     -0.73507825     -2.89105479      4.12284225
  H     -0.23659136     -4.41210044     -1.65697948
  H      0.95764229     -5.65786794     -0.52532272
  O     -2.90831566     -3.31302108     -1.29765173
  H      0.28545942     -4.16390576     -3.09451376
  H      0.04625432     -0.73697344      0.82574258
  O      1.91153727      2.35399423     -1.30080906
  H      4.25092825     -3.87179691      0.23040025
  H      0.73919855     -1.41266644     -0.38191344
  O      0.16813600     -5.31274414     -0.08378634
  H      5.43235732     -4.36193199     -0.63852107
  H     -0.15031239      0.19882104     -1.96765699
  O      0.73727834     -1.36330327      0.58233541
  H      3.72343659     -2.91367826     -1.79447971
  H     -0.88079304      0.93274775     -0.82104761
  O     -0.45262708      1.07087501     -1.67279519
  H      3.53603481     -1.39880735     -2.05480928
  H      0.45577735     -3.53426919      2.82323847
  O      0.94301896     -3.68848725      2.00610596
  H      2.51613842     -3.53168304     -3.45314376
  H      0.85203223     -2.87388021      1.48553905
          69
 Energy    -248.13758290601169     
  O     12.48938751      8.90276763    -15.00943988
  H     12.06154279      8.72033069    -14.16463857
  H     20.90952111      6.50260550    -14.19665968
  O     16.46983920      5.55219196    -11.95822383
  H     12.84062784      9.79822344    -14.94992652
  H     14.43996929      9.52776460    -17.62900169
  O     17.70538080      9.86572018    -11.93209079
  H     17.25776226      6.07147223    -11.74419473
  H     15.72430220      9.56228056    -16.79448380
  O     16.64284691      8.25693943    -15.86342811
  H     15.76874152      5.78934861    -11.33401486
  H     15.78719619      6.89300942    -13.03626945
  O     13.68689576      5.33808916    -14.62745055
  H     17.72992579     10.17056039    -11.01649426
  H     14.55920176      6.89576701    -13.96455254
  O     15.03910519      9.57936073     -8.54687491
  H     16.80075704     10.01285711    -12.24399488
  H     10.37754705      8.28673063    -12.32443317
  O     14.41652724      6.44699707    -10.35972717
  H     16.14646782      7.98457321    -15.07682587
  H     11.60483368      7.34652024    -12.38577033
  O     15.10324629     10.06687788    -12.83701339
  H     17.42801022      8.71636116    -15.52506832
  H     18.06924038      8.62746964     -8.85477256
  O     15.70666075      6.85201613     -7.90944782
  H     13.66589559      5.81148153    -15.47158532
  H     18.41928625      7.39509295     -9.70436097
  O     18.07880351      5.78633723    -15.47299791
  H     14.48978087      4.80200460    -14.61143793
  H     12.73297938      5.50424364    -13.05521408
  O     16.18795191      4.04539250    -14.21157004
  H     15.15822171      8.68779450     -8.19763367
  H     13.02333781      5.80403404    -11.55571733
  O     20.05371858      6.81453785    -13.91551754
  H     14.39345674      9.49984634     -9.26179218
  H     19.35553475      8.57939190    -14.34581832
  O     15.03957453     10.12778003    -17.18241938
  H     14.12888169      7.35000758    -10.55535534
  H     18.50321250      9.66631001    -13.66520230
  O     15.26648034      7.45539231    -13.62150431
  H     14.77873418      6.46761387     -9.46464637
  H     18.26787511      8.14771335    -11.71371205
  O     11.32139037      8.27627870    -12.46047732
  H     15.08244337      9.14938466    -13.15477299
  H     19.20261167      7.05045032    -12.28987444
  O     18.13107952      7.66444142     -8.82262719
  H     14.74872369     10.62145969    -13.54185172
  H     17.76782865     11.20452964     -8.65136946
  O     12.32654071      5.78339434    -12.22274554
  H     16.60945450      7.06887803     -8.20496064
  H     16.61466831     10.21785046     -8.95352149
  O     18.77723161      9.32992723    -14.52816585
  H     15.78970948      6.40606410     -7.07113076
  H     13.37575837      7.81745163    -16.13075023
  O     18.59307613      7.24677337    -11.56753702
  H     17.43371117      5.14683954    -15.14860837
  H     14.81943437      7.48997115    -16.59234830
  O     17.53390693     10.44697835     -9.18088678
  H     17.57787602      6.54702219    -15.79071806
  H     12.65792658      8.89480480    -11.29295983
  O     13.90486443      7.20288520    -16.66851270
  H     16.32490201      3.11293970    -14.06268159
  H     14.05070072      9.53617016    -11.47233933
  O     13.48598113      9.07849640    -10.83294349
  H     16.31477283      4.49011960    -13.35463034
  H     14.36705157     11.03496230    -15.82187883
  O     13.95042003     11.38886669    -15.01707397
  H     19.39359588      6.37942394    -14.48436797
  H     13.69836649     12.28787434    -15.21022558
          69
 Energy    -248.13753404283096     
  O     11.73507117     11.06117336    -12.00514885
  H     12.28147205     11.56908017    -11.39499480
  H     12.72941780      7.84473069    -13.38816294
  O     17.05993295     12.36734557    -12.66571234
  H     11.85950735     10.12626648    -11.79610483
  H     15.34223942      9.56793863    -13.26470935
  O     14.40582901      7.85234982    -10.30831127
  H     16.55034324     13.13483369    -12.38915361
  H     14.38822535     10.78494991    -13.50161835
  O     17.11677161      7.08674711    -11.28507723
  H     16.40826759     11.66331634    -12.81506777
  H     12.01016757      9.06127234    -16.84661945
  O     19.39709653      8.04065908    -12.84227696
  H     15.21576637      7.46436695    -10.64968858
  H     12.82299629      8.70328188    -15.57797674
  O     12.94132070     11.46843013    -14.40876325
  H     14.62420718      8.77342644    -10.10099734
  H     18.32275868      9.94446359    -10.62467379
  O     17.41574539      9.25389444    -15.63126174
  H     17.34797413      7.90290639    -10.80021830
  H     16.89151067      9.94827942    -10.01614919
  O     19.25672029     10.75506691    -12.04401840
  H     17.37685787      6.34805428    -10.73954141
  H     19.72799701     11.46496249    -14.89970278
  O     15.24890221     10.33941924    -17.12818206
  H     18.72634053      7.56917643    -12.34268270
  H     20.51337187     10.14589386    -14.93183135
  O     20.04201048      8.28861256    -15.45466674
  H     19.35156831      8.95927422    -12.53947658
  H     13.80554361     13.01642903    -14.62833370
  O     15.92314938     12.95468877    -16.95849818
  H     12.73218262     10.80341783    -15.07438635
  H     14.95123045     13.61516821    -15.46185119
  O     13.13434325      7.66774614    -14.24552041
  H     12.36964735     11.33500340    -13.63710417
  H     15.25944875     15.28347592    -12.07599337
  O     15.13194056     10.46433905    -12.97638545
  H     17.58033953     10.19129320    -15.45461952
  H     14.81553786     14.18547932    -13.07223025
  O     12.70151347      9.37709354    -16.27152527
  H     18.28586395      8.84937075    -15.73639463
  H     14.00325952     13.36458423    -11.01059821
  O     17.69728573      9.42253790    -10.10502739
  H     18.52325728     11.37296212    -12.16961810
  H     13.01906916     13.43052834     -9.82514776
  O     20.49393045     11.01519383    -14.51590449
  H     19.84675352     10.90043369    -12.79848181
  H     17.35642545     12.42119001    -15.89705200
  O     14.41468799     13.76871054    -14.67651319
  H     14.39888484      9.96000690    -16.87644877
  H     17.65864090     12.24447604    -14.38594468
  O     15.06440471     14.35239889    -12.14317175
  H     15.93576830      9.80507152    -16.70997225
  H     11.38927535      7.71000129    -11.26396321
  O     13.46806062     12.82324953    -10.40908316
  H     20.66503000      7.63171299    -15.75209312
  H     12.89284237      8.04747917    -11.14855007
  O     17.95564031     11.99578441    -15.27236239
  H     19.86294897      8.10350081    -14.51412662
  H     15.09787455     10.46644582    -11.19372121
  O     12.08170187      8.24169032    -11.64933244
  H     15.96174560     13.33451778    -17.83205399
  H     14.58442392     11.32285415    -10.03256346
  O     15.10755309     10.53838458    -10.22543756
  H     15.62399509     12.03304410    -17.06638085
  H     16.49450184      8.28229877    -14.39901995
  O     15.87356750      7.90601826    -13.75721754
  H     14.08755617      7.60878087    -14.09288804
  H     16.37182691      7.55881035    -13.01005967
          69
 Energy    -248.13748717108126     
  O     20.38710916      6.70301714     -7.63327188
  H     20.73288970      6.46517205     -8.50532801
  H     17.85960625      4.45511357     -7.38966162
  O     16.92553868      6.18232188    -12.20165619
  H     19.83380913      5.95748413     -7.37618681
  H     17.25701921      7.44800214     -8.75918067
  O     16.63579864     10.10927137    -12.98431721
  H     17.56352686      5.63032605    -12.67414998
  H     16.80637981      8.38543951     -7.60363904
  O     16.62751255     10.67751675    -10.15998826
  H     17.42315249      6.67294244    -11.52942850
  H     20.87884539      6.21909532    -11.18192025
  O     19.37896195      9.14203525    -12.83270395
  H     16.30887082     10.64941072    -13.70021027
  H     20.21891759      5.09568169    -10.32062383
  O     14.93727469      8.02389402    -12.36103861
  H     15.99673013      9.38655263    -12.87021696
  H     12.64010277      6.52377039     -8.73084506
  O     19.33666326     10.02553325    -10.19958798
  H     15.88827364     10.09914343     -9.92528907
  H     11.48289955      7.54834480     -8.64579125
  O     18.97395083      3.75574334    -10.16075034
  H     16.64410125     10.67370820    -11.12597856
  H     16.25973990      5.84845315     -7.78223830
  O     13.44790317      3.74243886    -10.86066407
  H     18.47186668      9.39249766    -13.03885896
  H     16.16464487      4.61846332     -8.73537386
  O     20.79240193      6.81147977    -12.94942410
  H     19.56280134      9.55942024    -11.97911785
  H     13.79807167      8.37272817     -9.43819394
  O     18.33400420      7.39740822    -10.17896667
  H     14.83781675      8.25574627    -11.42497793
  H     15.29632526      8.22730335     -9.08419444
  O     18.81182753      4.27183822     -7.33105644
  H     15.60071575      7.31661439    -12.40803536
  H     20.17462069      8.44461649     -7.53863505
  O     16.60694161      7.54955803     -8.04692817
  H     19.69616696      9.90018623     -9.31226667
  H     20.80928811      9.75220371     -7.01718597
  O     20.72574697      5.91997730    -10.27672239
  H     18.43733266     10.37314396    -10.10664790
  H     15.28817850      3.85189034    -10.65533148
  O     12.28710846      7.34611772     -9.11598946
  H     18.02255099      3.76099427    -10.33648980
  H     16.36418104      4.86998185    -11.09910621
  O     16.16106227      4.88281708     -7.80265676
  H     19.04513959      3.78930812     -9.19782121
  H     14.22963906      4.90731123     -7.92672339
  O     14.67908049      8.69326169     -9.66643679
  H     12.90451191      3.08337858    -11.28386569
  H     13.31107435      4.43313543     -9.06923805
  O     20.09800865      9.41472108     -7.55576203
  H     13.20383631      4.60171236    -11.24960718
  H     18.29524903      9.95215892     -7.30003337
  O     16.19481754      4.13736521    -10.48943148
  H     20.26271156      7.62799186    -12.95075040
  H     17.12101936     10.55045707     -8.10792288
  O     13.33310251      4.98174891     -8.27479988
  H     21.52700951      6.96414948    -13.53842395
  H     19.15933959      4.11294724    -12.23649182
  O     17.33814522     10.09029606     -7.29052362
  H     18.63161993      8.30861176    -10.29160333
  H     19.67528721      5.28421157    -13.10332480
  O     19.00067656      4.59292710    -13.05592988
  H     19.13023345      6.85701549    -10.10447696
  H     13.43041849      6.83383139    -12.11706460
  O     12.78742268      6.23749585    -11.71529813
  H     18.92577827      3.65950025     -6.60773588
  H     12.48636917      6.67658544    -10.90959277
          69
 Energy    -248.13744483584034     
  O     18.22141061      9.51719085    -17.93972614
  H     18.17666928      8.69835669    -18.44604542
  H     16.12126155      7.40306734    -15.52830323
  O     14.30738496      6.70145087    -13.03637269
  H     17.77130662      9.32933084    -17.10113186
  H     16.75803417      7.51061389    -11.33752193
  O     18.01721497     13.43493940    -12.53427286
  H     15.08216585      6.58970371    -12.45375039
  H     17.28633650      6.11657636    -11.76253461
  O     19.89491762      6.94745366    -14.47210057
  H     13.61988677      6.13850061    -12.69089202
  H     16.10768307      9.57021069    -15.47052498
  O     15.13171386      7.24181830    -18.20248946
  H     17.20480305     13.82299408    -12.88082511
  H     17.50419227      9.18516302    -14.86684414
  O     14.66796861     12.17353404    -11.78383660
  H     18.43965183     12.99228419    -13.28304370
  H     16.94583734     10.84869004    -18.31820719
  O     14.47644022      9.53202843    -12.82515947
  H     20.79334480      6.93981138    -14.79273959
  H     16.28191882     12.00153435    -17.52992991
  O     18.86468092     11.93047577    -14.74724169
  H     19.33667296      6.59356435    -15.18790573
  H     16.12049888      9.45043296    -12.01415245
  O     18.77577491      5.31907805    -12.45633498
  H     15.14783246      6.90832610    -17.29461158
  H     17.10990432     10.18580568    -11.07137913
  O     14.55742220     10.52766041    -15.38270281
  H     14.70607497      8.10642887    -18.16979063
  H     14.76502841     10.46608816    -18.25468187
  O     18.26843894      5.91460514    -16.37559537
  H     14.44586876     11.27609268    -12.06152102
  H     13.29687489     10.16170619    -18.64213768
  O     15.66582893      6.54527666    -15.53162087
  H     15.42946157     12.08950792    -11.19623141
  H     17.52251303     12.27356435     -9.62147192
  O     16.49306108      6.59358277    -11.48355942
  H     14.41767569      9.88118356    -13.72699415
  H     17.57066380     12.46441852    -11.15703701
  O     16.88433950      9.00925282    -15.58625813
  H     14.28367537      8.58837159    -12.88091145
  H     19.22519862      8.55987460    -13.81319831
  O     16.19545405     11.45777265    -18.32388222
  H     18.91943431     11.06890512    -14.30995718
  H     18.24214804      9.31273656    -12.83803036
  O     16.97593466      9.36847076    -11.56704929
  H     19.38278042     11.85970965    -15.56085185
  H     15.06177854     13.43026373    -12.93941461
  O     14.00498432      9.88563549    -18.06601995
  H     19.21791454      5.86395441    -13.12255718
  H     14.87372534     14.89082479    -13.41370057
  O     17.19359289     11.91928234    -10.44289681
  H     18.85981003      4.41864392    -12.76379131
  H     17.21376426     12.36260974    -15.41079648
  O     18.78894879      9.40134692    -13.63205755
  H     14.21085129     10.28440371    -16.25026670
  H     15.98480092     13.24402985    -15.07224167
  O     15.40550306     14.11079221    -13.54587783
  H     15.09607914     11.32500835    -15.49668504
  H     19.50224496     10.72357225    -17.50941347
  O     16.33231875     12.61724201    -15.71984411
  H     18.20341089      6.21126640    -17.29063873
  H     20.35867968     11.92488869    -17.94072510
  O     20.07825465     11.42950975    -17.17492365
  H     17.36277327      5.92200903    -16.03580531
  H     16.75978246      7.05209677    -18.78946909
  O     17.70746350      6.96773001    -19.00311061
  H     15.15292880      6.50809662    -14.71723883
  H     17.76043300      6.49932429    -19.83152828
          69
 Energy    -248.13734500083666     
  O     18.51511434      9.20662942    -11.15292366
  H     17.74134311      9.06687068    -10.58419857
  H     13.37401949     10.26397908     -9.90257765
  O     19.38524633     11.67621287    -10.23388360
  H     18.90160292     10.05653634    -10.91065911
  H     18.43125461      4.58665967    -12.58707685
  O     12.30506548      7.45065311    -11.06968480
  H     19.85827667     12.44218027    -10.54623760
  H     17.47012533      4.48202307    -11.38809222
  O     17.41113964      8.69476941    -13.61021150
  H     18.50329072     11.98223648     -9.95214223
  H     15.19319923      6.44534941    -11.49486929
  O     19.50797772      6.70787046    -10.59259726
  H     12.65250189      7.67625122    -11.95144174
  H     13.97662344      6.71518661    -10.57337126
  O     19.90308448      7.67988165     -7.91992829
  H     11.47728660      6.99806854    -11.20790065
  H     21.00299299      4.89830225    -12.74732832
  O     17.26323733      5.32543248     -9.61501965
  H     17.84619553      8.91380095    -12.77296370
  H     20.03979220      5.87188382    -12.03008646
  O     13.50747063      7.99473272    -13.43792503
  H     18.05656728      8.22072143    -14.15271471
  H     17.33691712     11.76826655     -5.94877256
  O     16.91345223     12.32002847     -9.33962352
  H     18.72278747      6.24262687    -10.26922693
  H     18.13307829     10.92456165     -6.97675089
  O     15.19446284     10.31307097    -13.56336712
  H     19.23492986      7.60936964    -10.81942193
  H     19.15135738      6.55005291    -15.69468275
  O     14.93218091     10.90242823    -10.77645605
  H     19.17741460      7.19656887     -7.50773258
  H     19.60426781      6.47393766    -14.22964854
  O     12.73213728      9.72919755     -9.41891480
  H     19.96983159      7.32394517     -8.81348840
  H     15.76403466      7.96163951     -9.99716667
  O     17.51709719      4.39384489    -12.34842623
  H     17.36277584      5.54352213     -8.67974437
  H     16.24070485      8.73637590     -8.73540201
  O     14.91507943      6.49490959    -10.56727618
  H     16.38501645      5.64314257     -9.86925385
  H     19.78907326      9.47659162     -7.73377923
  O     20.18940390      5.38325497    -12.85899251
  H     13.94989681      8.84775361    -13.52178911
  H     19.72231519     10.81224020     -8.52652953
  O     17.23512809     11.18442580     -6.69556016
  H     14.20819299      7.33233126    -13.51400543
  H     15.14436858      8.72182206     -6.84814987
  O     19.21890297      7.06509048    -14.89353937
  H     16.15606853     11.96856699     -9.82556028
  H     16.48011585      9.52926814     -6.74738423
  O     16.25733922      8.73811285     -9.70002059
  H     16.85322187     11.98350279     -8.43752766
  H     16.39750279      7.15567122    -13.33739784
  O     19.62121796     10.42674749     -7.64940430
  H     15.20968908     10.94378975    -14.27940103
  H     16.37626492      5.63097190    -13.02340590
  O     16.10920461      8.65418671     -6.92203900
  H     16.00345171      9.77985425    -13.64544618
  H     17.47528491      5.87638963     -6.12957150
  O     15.81297472      6.40242395    -13.18084547
  H     14.97897781     10.79734964    -11.73366525
  H     17.00867398      7.13210685     -6.89960955
  O     17.54375899      6.32302989     -6.96988090
  H     15.38596731     10.13367622    -10.39560136
  H     13.14109338      9.25884826     -7.77883269
  O     13.41291009      8.96469867     -6.89249348
  H     12.51739480      8.98116754     -9.98982481
  H     12.66445308      9.12074438     -6.32348394
          69
 Energy    -248.13733986668376     
  O      2.08772099      1.39198108     -6.11893908
  H      1.98088242      0.51550973     -6.47846087
  H      7.09631618      8.11643787     -3.25092643
  O      0.91002987      7.79173201     -6.99351225
  H      2.85284711      1.78892592     -6.57394349
  H      1.62655682      6.57198703     -1.50979112
  O      2.92154154      9.57922619     -3.04852824
  H      0.83991652      7.49937735     -6.07466799
  H      3.09819398      6.65189445     -2.00574177
  O      3.53528904      6.03830166     -5.59736179
  H      0.71354098      7.01061772     -7.52499268
  H      5.33230599      6.36926263     -2.39580551
  O      7.32455003      5.67347735     -5.64155144
  H      2.27599507     10.25234675     -2.84812464
  H      4.68828966      5.04808700     -2.81148412
  O      4.16939055      2.56778856     -7.38328679
  H      2.65207650      8.79097600     -2.55069815
  H      7.93988497      7.55485907     -8.53782572
  O      0.16377216      3.48684633     -6.31552112
  H      3.97991996      6.88501539     -5.46971157
  H      6.44831758      7.35443215     -8.23390191
  O      0.48494497      5.29518929     -8.31087078
  H      2.63149530      6.15923193     -5.27599524
  H      4.23806007      8.06011575     -8.47840608
  O      0.21778702      4.11311738     -3.53592202
  H      7.36442710      6.26082282     -6.41143270
  H      4.32412740      6.55610362     -8.80209432
  O      2.87907769      3.70837661     -0.99124480
  H      7.08566808      6.22111610     -4.88796516
  H      4.25726474      4.67302898     -4.76092086
  O      6.60350181      3.11297201     -5.96281365
  H      5.03738246      2.71323503     -6.98971407
  H      5.34220833      3.56263250     -4.70662675
  O      6.44528819      7.47462168     -3.52581091
  H      3.91116191      3.40682491     -7.78893557
  H      1.37674724      4.57558684     -0.81549392
  O      2.25764590      7.13303324     -1.97587634
  H      0.78205928      2.74504854     -6.30534839
  H      0.10318190      5.01919499     -0.05444176
  O      4.66871090      5.72649799     -2.11865941
  H     -0.02792161      3.68419510     -5.39139328
  H      3.25107293      2.97033500     -3.76618051
  O      7.33514489      7.32547957     -7.83729842
  H     -0.14115087      5.09279867     -9.00095792
  H      2.28071854      1.91555487     -4.31060290
  O      4.80652069      7.38989245     -8.87557423
  H      0.32699089      4.65421372     -7.59461447
  H      1.45847150      6.91868264     -3.64773275
  O      4.62088695      3.96290176     -4.20826183
  H      0.98811024      3.52447746     -3.52276907
  H      0.68041537      5.73426591     -4.25099342
  O      0.57682906      5.13009331     -0.87431144
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  H      3.41934182      5.44154323     -7.29322774
  O      2.46239977      2.45548154     -3.53200650
  H      2.78890705      3.11844301     -1.75168487
  H      2.35556260      5.14872193     -8.37537031
  O      1.06391303      6.59449120     -4.46715055
  H      3.60587290      4.31017601     -1.19159957
  H      2.88617386     10.08102047     -7.86283185
  O      3.30259745      5.10566602     -8.19580516
  H      7.38427655      2.56815337     -5.92147822
  H      2.32903689      8.74544149     -7.31843896
  O      3.14725699      9.25123903     -7.47231505
  H      6.90540216      4.03889652     -5.90019120
  H      3.94101672      9.01929293     -4.39850820
  O      4.49849269      8.62869130     -5.08944242
  H      5.82959326      7.94393112     -4.11361486
  H      4.15543305      8.93793077     -5.93699621
          69
 Energy    -248.13716842333596     
  O      2.14888679      2.26148752     -2.28047937
  H      2.44117341      1.93801189     -1.41518397
  H      3.01017793      2.50191118      0.70576597
  O     -0.45165746      1.75235468     -2.99267652
  H      2.82779537      1.99972536     -2.91265488
  H      1.26615687     -2.77893865     -1.32706391
  O      2.47679473     -1.11932051     -3.99602529
  H      0.47972122      1.92797157     -2.77951177
  H      0.05331413     -3.42387693     -1.99112042
  O      2.23411650      3.94829868      1.63054225
  H     -0.95929822      2.49419534     -2.64241769
  H      4.87572060      1.44862078     -4.41801494
  O     -1.41443814      1.10045007      3.07105346
  H      1.63157198     -0.87713317     -4.39463841
  H      4.62963095      0.87146376     -3.00160078
  O      1.27821183      2.00720266      3.25841332
  H      3.07587811     -0.36590031     -4.08494822
  H     -0.88526069     -1.76680464     -3.58814190
  O     -1.86045876      1.96008534      0.55368040
  H      2.72347525      4.57542973      2.15683974
  H     -1.21954396     -1.62335156     -2.10645317
  O      1.00222725      4.45017182     -0.88309301
  H      1.83187383      3.31625786      2.25272909
  H      4.24912546     -2.44468237      0.27302494
  O      3.40495785     -3.54448988     -2.69327264
  H     -1.63790630      1.50338938      2.21205884
  H      4.19798412     -2.68203703     -1.27930122
  O      2.34706727     -0.30586804      2.01692702
  H     -2.17899701      1.19948298      3.63182782
  H     -0.56685502     -0.86836983      0.78420215
  O     -0.60740523     -0.11387193     -0.93688261
  H      0.34531858      1.76379354      3.29616366
  H     -0.76246447     -0.49334167      2.27200518
  O      3.21096745      1.68395611      0.23621216
  H      1.74950984      1.20399989      3.00071841
  H      3.91649796     -3.45226047      2.62127000
  O      0.82976104     -3.63383855     -1.45595090
  H     -1.85343899      2.70137798     -0.06168018
  H      2.64827655     -3.23786760      1.75917265
  O      4.19663118      1.10436890     -3.84487454
  H     -1.46115439      1.22404989      0.07272514
  H      4.64252826      1.00589227     -0.77624662
  O     -1.19385979     -2.26696462     -2.82439355
  H      1.36312154      4.35383107      0.00717112
  H      5.08983208     -0.42173892     -1.13612459
  O      4.42703754     -2.04417172     -0.58598538
  H      1.50417469      3.84363007     -1.44292078
  H     -2.04932870      4.68746227     -1.72235903
  O     -0.33594507     -1.13028112      1.68485173
  H      2.55690049     -3.87381479     -2.36895852
  H     -0.66038329      4.17830731     -1.26218704
  O      3.53763203     -2.88863581      1.95245070
  H      3.17991150     -2.83646229     -3.31047553
  H      2.76007605     -1.23313792     -0.87425267
  O      5.16971682      0.50257171     -1.41085511
  H      2.87944168     -1.10413482      2.10825556
  H      2.06991712     -1.00581640     -2.23294158
  O     -1.55720080      3.89626268     -1.52175418
  H      1.44022589     -0.60437592      1.86106101
  H      0.41998848     -2.88957297      1.55357909
  O      1.91104143     -1.01710054     -1.27786536
  H     -0.68925910      0.52469696     -1.65798284
  H      0.86932482     -3.81987594      0.40498841
  O      1.00910948     -3.62436152      1.34162804
  H      0.31656514     -0.41452764     -0.97033170
  H     -0.56076703     -0.19408777     -5.61825140
  O     -0.13756894     -0.34282790     -4.77569023
  H      2.91671613      0.95743438      0.80247008
  H     -0.31839756      0.44076735     -4.23130803
          69
 Energy    -248.13712417523931     
  O     11.16839966      8.78425892    -15.11071527
  H     11.06556226      8.12697336    -14.41293987
  H     16.87496102      6.44600107    -15.21611006
  O     16.72158209      7.05137940    -13.45943394
  H     11.90497926      8.48554854    -15.66313644
  H     19.87952191      8.17952560    -12.87027125
  O     15.56327949     11.55693303    -11.70960198
  H     16.08830057      7.73572515    -13.73369894
  H     18.92682858      9.21139033    -13.50259636
  O     16.20332837     11.40549576    -14.35070453
  H     17.52399024      7.50460239    -13.18006756
  H     13.30924072     11.65935967    -15.61654311
  O     14.15673751      5.35721416    -16.42748638
  H     14.68670340     11.16954795    -11.84127634
  H     14.84920513     11.79641663    -15.52114725
  O     14.41407853      8.37606971     -8.82827568
  H     15.86822476     11.21680925    -10.86139030
  H     15.36151573      9.75493958    -14.42428087
  O     14.86629306      6.02220901    -11.72604107
  H     17.11923154     11.15096699    -14.50209744
  H     14.41937658      8.64596924    -15.02086609
  O     13.24051612     10.15716499    -12.44061912
  H     16.07986383     11.54530296    -13.39795634
  H     11.55328599      7.19255555    -12.26216348
  O     17.34983298      8.97600301    -16.83958532
  H     13.83658606      5.26877550    -15.51107155
  H     10.21752746      6.50091968    -12.61038685
  O     16.27675578      6.25643932     -9.30440635
  H     13.86807076      4.57828365    -16.89494487
  H     17.42700528      9.07660251     -9.85930708
  O     18.73805476     10.27210837    -14.96137138
  H     14.97448531      7.58989752     -8.85492717
  H     18.27603148      8.47106020    -11.00309915
  O     16.82964722      6.34289770    -16.17654026
  H     13.71631287      8.22261132     -9.47675737
  H     13.80202748      5.36240520    -13.12573667
  O     19.01373494      8.57299567    -12.77755690
  H     15.55513160      6.33906520    -12.33003174
  H     12.41049032      5.72167781    -13.67597362
  O     14.11172090     11.73562663    -16.14540798
  H     15.29284669      5.93476521    -10.86556552
  H     16.31891112     10.88204601     -8.41071125
  O     14.90607375      8.92302458    -14.23418948
  H     13.82016843      9.65296084    -13.03480990
  H     15.52318020      9.72293368     -9.05201975
  O     11.01729670      6.84980512    -12.99668044
  H     12.65944956     10.66729213    -13.01711404
  H     14.59793533     10.63077803    -17.38221815
  O     17.88941331      8.27666112    -10.14284841
  H     17.19702823      8.03104245    -16.68900633
  H     14.81044651     10.29105344    -18.87783153
  O     13.22358698      5.25005753    -13.89112804
  H     16.56657972      9.31647560    -17.28436857
  H     12.91746198      8.67796390    -11.50511852
  O     16.23104038     10.37214419     -9.21199600
  H     16.91227485      6.92611887     -9.61704810
  H     13.52750081      7.23789548    -11.35693963
  O     14.89880718      9.93650881    -17.99743148
  H     16.75068875      5.68303489     -8.70858751
  H     11.47615551     10.44476244    -14.76143061
  O     12.78162511      7.80408801    -11.10663208
  H     18.26724727      9.78563779    -15.66535990
  H     10.98630595     11.90115067    -14.56695500
  O     11.75987187     11.34602836    -14.52002238
  H     19.39868480     10.80835301    -15.39174666
  H     13.72294977      7.13856206    -16.60126354
  O     13.47705322      8.06552124    -16.48705739
  H     15.97846577      5.92343213    -16.34624395
  H     13.94114760      8.59674558    -17.14652532
          69
 Energy    -248.13693059028606     
  O     -1.00977057     -5.34144972     -0.59957274
  H     -0.31371569     -5.02865543     -0.00967390
  H      3.78980790     -0.66526314     -1.72148567
  O     -2.46797840     -1.49578582      1.62657189
  H     -1.78133618     -4.79548460     -0.39932984
  H     -2.19121475     -4.35312250     -4.24560492
  O     -4.74328685     -3.25367222     -2.45319668
  H     -2.69032522     -2.19791235      0.98993100
  H     -3.20670046     -4.47302089     -5.40018942
  O      4.10313445      0.10115135     -3.41268540
  H     -3.08355731     -1.57786105      2.35125369
  H      0.55539761     -1.14200341      0.01124722
  O      1.05168071     -4.24410717      1.09419349
  H     -4.80084545     -2.29296936     -2.53974747
  H      0.09288502     -1.50759009     -1.43923136
  O     -2.93570525     -3.27603893     -0.37368397
  H     -4.22105809     -3.55152927     -3.20719189
  H      1.98014562      3.44417036      0.11874936
  O      2.45132444      0.50229984      1.27105302
  H      3.49853631      0.85920069     -3.30947033
  H      1.94646709      1.91058603      0.28200773
  O      2.73752251     -3.77370293     -0.95526803
  H      4.86625437      0.42002192     -3.88582582
  H     -2.31053968      0.82555896     -0.75383638
  O     -1.12877291     -2.37261231     -2.26478116
  H      1.68094324     -4.09383403      0.36476711
  H     -2.91693840     -0.18766320      0.24260808
  O      0.37336678     -1.57034605      1.73407778
  H      1.47523924     -4.85139085      1.69630079
  H     -0.20133137      0.57041592     -1.13100662
  O     -4.55508546     -0.40302937     -2.69530394
  H     -3.71063922     -3.38488005     -0.94142590
  H     -0.05391965      2.07401148     -0.90006676
  O      3.39010060     -1.03810864     -0.92759438
  H     -2.26348447     -2.88737334     -0.95495785
  H      2.64289889     -0.96641775     -4.00146502
  O     -2.94107278     -3.91030592     -4.67660466
  H      1.80373411     -0.10546818      1.64549515
  H      1.11545769     -0.77438984     -4.09041694
  O      0.66125391     -0.91868652     -0.92362708
  H      2.96340316     -0.02114935      0.63818024
  H     -0.47730754      0.95336212     -3.04555603
  O      1.68018058      2.64211149     -0.30100898
  H      3.10476375     -2.87955832     -0.92843086
  H     -0.95933742      0.13885286     -4.26364297
  O     -3.12056026      0.34474744     -0.53305327
  H      2.46043524     -3.92724238     -1.86530752
  H     -2.62955127     -1.99992191     -4.67475691
  O     -0.66125992      1.41806426     -1.25853921
  H     -0.92751741     -3.24807277     -2.61787563
  H     -3.21004933     -0.79037428     -3.89283610
  O      1.81657819     -1.43024816     -4.18355603
  H     -1.54989890     -1.86410869     -2.96828742
  H      1.81545727     -3.12694391     -3.88892118
  O     -0.19908414      0.61625518     -3.90925286
  H     -0.58815400     -1.51038575      1.80958456
  H      2.51538517     -4.44645069     -4.29018721
  O     -2.43446054     -1.09987180     -4.38316795
  H      0.59086481     -2.50673709      1.62293909
  H      1.40604518      1.67139864     -3.45479211
  O      1.86953294     -4.07991343     -3.69116352
  H     -5.27712792      0.21150250     -2.79602439
  H      2.04048369      2.24400302     -2.15931303
  O      2.22766053      2.00684021     -3.07606736
  H     -4.07054873     -0.13572211     -1.89325343
  H      0.17348803     -4.76199250     -3.49097350
  O     -0.75917608     -4.92977232     -3.29913852
  H      2.42753884     -0.96529294     -1.04812694
  H     -0.82503917     -5.23999646     -2.38144039
          69
 Energy    -248.13692285055305     
  O     16.08389306     10.60911982    -16.46653288
  H     15.23176844     10.91749254    -16.13551674
  H     16.85645275      7.20973673    -11.97833743
  O     15.21060627      5.26108842    -13.01402011
  H     15.92792024     10.09740199    -17.27203726
  H     20.90189253     10.04507675    -17.50764362
  O     19.66049708      8.32557136    -14.69934449
  H     16.01801937      5.40779920    -12.50865059
  H     19.62820059     10.43905051    -16.72065035
  O     13.96028587      7.42329414    -17.03076016
  H     15.44582633      5.40993665    -13.94203614
  H     17.83739515      8.51021220    -14.69732202
  O     16.95245701      9.88062400    -10.05657809
  H     19.96962656      8.76917152    -15.49618131
  H     16.62105669      9.27393279    -15.32316419
  O     15.63148110      8.72918903    -12.29181145
  H     19.89504846      8.87018524    -13.93171450
  H     12.94268750     11.86724478    -15.52931045
  O     18.07812358     11.85965774    -13.12920511
  H     14.50645169      7.90208306    -17.66442182
  H     13.35851363     10.44087878    -15.08344150
  O     19.12806138      5.72365561    -14.06481981
  H     14.56487269      6.81639137    -16.58112063
  H     13.22323942      8.30975578    -15.67464721
  O     13.35084093      7.16419188    -12.57807536
  H     16.87626684     10.83533178    -10.16630406
  H     12.99003291      8.22452001    -14.14263784
  O     18.39438372      5.26366570    -16.62047443
  H     16.42461087      9.48301253    -10.76209984
  H     19.59532861      8.16581217     -9.42572415
  O     15.93399340      6.09509151    -15.56977045
  H     14.80171934      8.23536834    -12.33090384
  H     18.36817589      8.86626131    -10.06013482
  O     17.50731705      6.51733762    -11.81381336
  H     16.06120196      8.67942850    -13.16279877
  H     19.33319676     10.52386437    -12.62290276
  O     20.12076106      9.68628667    -17.09582388
  H     17.16575414     11.59137876    -13.30281372
  H     19.73808178      9.33698931    -11.70324719
  O     16.87389528      8.59053980    -14.68983178
  H     18.00703968     12.37321982    -12.31847077
  H     15.98010646     12.34336328    -11.49051004
  O     13.67908246     11.35525100    -15.20802158
  H     19.46509282      6.60918544    -14.27357470
  H     16.13491267     13.38481773    -10.36202332
  O     12.94604866      8.81947051    -14.89724667
  H     18.56929453      5.84737782    -13.28973000
  H     18.90740798      8.37043294    -17.75312010
  O     19.11531743      8.26835591    -10.24327857
  H     13.93352806      6.39884960    -12.73439304
  H     18.34659730      6.93206037    -17.56750624
  O     19.99530081      9.83396566    -12.48905451
  H     12.65161888      6.86537965    -12.00306994
  H     15.26631626     10.50437662    -12.66893529
  O     16.56412974     12.63753120    -10.77090305
  H     18.73582814      4.43430103    -16.94320296
  H     14.68928248     11.52776622    -13.67972332
  O     18.20631761      7.76750773    -18.02849340
  H     18.69465067      5.35096522    -15.69697810
  H     17.71903430     11.39168320    -16.19888652
  O     15.27026797     11.43893144    -12.91481039
  H     16.68391872      5.68063568    -16.01270201
  H     18.60257362     11.81134880    -15.00687496
  O     18.62513680     11.62750642    -15.95265921
  H     16.24568775      6.96384666    -15.27532707
  H     16.68034852      8.44313771    -18.45762911
  O     15.83336653      8.88966813    -18.64191477
  H     18.15951857      6.93364358    -11.23618892
  H     15.77995746      8.99665858    -19.58764418
          69
 Energy    -248.13680773400250     
  O     16.28285000      9.99025193    -15.32024884
  H     16.99606434      9.39665589    -15.59581818
  H     14.65868142     10.82452028    -12.42323724
  O     16.64156433      7.76561014     -9.49347637
  H     16.63137670     10.88755805    -15.37539166
  H     14.00116760     11.75134693    -10.68800350
  O     17.68573792     12.44142098    -15.09624628
  H     16.48869717      7.35280751    -10.36085306
  H     13.58430175     12.40854456     -9.35185129
  O     14.00057176      8.93161556     -9.63596197
  H     16.93547163      7.07370710     -8.90610278
  H     17.79236843      3.55187749    -15.35139995
  O     13.95695289      8.40621643    -15.33183252
  H     17.64045758     13.16859291    -15.71136130
  H     16.57486127      4.49625423    -15.20737801
  O     18.49069936      8.41755662    -15.86377621
  H     17.18389468     12.71530145    -14.30535819
  H     16.05411311      7.97630643    -12.24137127
  O     19.82883874     10.66777512    -14.78399169
  H     14.07989063      9.89155315     -9.57043224
  H     15.32185847      6.63904554    -12.45045690
  O     18.34108945      6.66318547    -13.71976381
  H     14.88200261      8.57346839     -9.48455006
  H     17.73113965      7.17543935    -17.03781907
  O     12.24075866      7.85912907    -11.41793559
  H     14.05584417      7.83251541    -16.10244296
  H     17.43961091      5.68706688    -16.78972326
  O     16.20220667     13.09649431    -12.98465838
  H     14.70713131      9.01539408    -15.34578567
  H     16.05093012     12.30534503    -10.00165478
  O     12.12898437      9.76759919    -13.59227745
  H     19.09086632      9.13388361    -15.62602072
  H     17.42214468     11.70617854    -10.36558521
  O     13.94112503     11.47756110    -12.43319322
  H     18.46180862      7.80948186    -15.10851663
  H     15.49407011      6.56026176    -17.46604252
  O     14.18198899     11.76904043     -9.73154922
  H     20.64851410     11.13679295    -14.92418529
  H     14.17793166      6.43467014    -18.27055222
  O     17.54533932      4.47082568    -15.29280133
  H     19.11868204     11.32592990    -14.84357039
  H     16.25123261      9.82833345    -13.49818672
  O     16.12555364      7.02104733    -12.07721334
  H     17.58597938      6.75254223    -13.12087025
  H     16.77626222      9.95327154    -12.01103587
  O     17.23587859      6.42104856    -17.38288868
  H     18.19541813      5.84469769    -14.21113574
  H     18.72751188      9.59377794    -11.20966269
  O     16.91292866     12.52837774    -10.37233549
  H     12.87201244      8.24202926    -10.78382651
  H     17.66033963      9.26548356    -10.11997719
  O     14.52298379      6.56656229    -17.39157537
  H     11.46579158      7.61815973    -10.91677070
  H     13.82065701      7.14829219    -14.00647954
  O     16.03364653      9.68424121    -12.56821690
  H     15.31969402     12.70893375    -12.94116906
  H     13.14900415      6.81909416    -12.65088746
  O     18.03827694      9.97935126    -10.64745164
  H     16.55621774     13.02016693    -12.08624264
  H     19.38805596      8.04251298    -12.88283887
  O     13.73475860      6.45987723    -13.32911860
  H     12.63309316      9.33188234    -14.29165960
  H     19.80279369      9.48547109    -13.25015551
  O     19.70904606      8.87344602    -12.51085465
  H     12.07411876      9.13010485    -12.86933351
  H     14.39311531      5.15434079    -14.48268920
  O     14.84522934      4.71610418    -15.21578301
  H     13.19945684     11.03888410    -12.87046455
  H     14.62058852      5.23080669    -16.00090268
          69
 Ord_Energy   -248.136719    
 O   -3.06958985       1.58853722     -0.408884495    
 H   -3.91467524       1.67028224       2.48098206E-02
 H   -3.19654417      0.978144825      -1.15834570    
 O    1.86190522      -2.70562220      -1.41667044    
 H   0.910529852      -2.55328488      -1.37829363    
 H    2.26286888      -1.85188353      -1.20240819    
 O   -2.77002549      0.728736818      -5.14492083    
 H   -2.26198769      -2.70463806E-02  -5.49606419    
 H   -3.45625758      0.920076430      -5.77798080    
 O    2.29612923      -3.58372021      -3.93320680    
 H    2.70486546      -4.44489288      -3.94642520    
 H    2.21275902      -3.32481241      -2.99726391    
 O    2.48245025       3.35864067      0.102177091    
 H    3.05033350       3.06062388     -0.618635654    
 H    1.88443136       4.01454544     -0.278983027    
 O    4.54315853      0.857824981      -4.58113194    
 H    3.90049505      0.151361004      -4.75894499    
 H    5.39616537      0.527198851      -4.85226965    
 O  -0.952884316     -0.143885955      0.405235916    
 H  -0.195306957      0.342315286      0.751350641    
 H   -1.65339577      0.504736245      0.263639659    
 O   -3.19231915     -0.149095297      -2.47580433    
 H   -2.49759960     -0.802174091      -2.33040524    
 H   -3.13074517      0.117272019      -3.40085959    
 O    1.14287198     -0.699752152      -7.39722586    
 H    1.01158619      0.252204031      -7.22560740    
 H    1.27585983     -0.798119843      -8.33575153    
 O   0.810421765       1.86423075      -6.71001530    
 H    1.64548004       2.32228947      -6.53077316    
 H   0.250025809       2.02454972      -5.94500351    
 O  -0.825268805      -1.67567098      -1.84145927    
 H  -0.897545457      -1.23529398     -0.979029357    
 H  -0.293741345      -1.08879519      -2.40156841    
 O  -0.599040449       2.14442706      -4.15347385    
 H   -9.22911763E-02   1.40279722      -3.78191471    
 H   -1.41555142       1.77092481      -4.51136971    
 O   -1.28823662      -1.31171060      -6.02467728    
 H   -1.09291875      -2.04994988      -5.42954159    
 H  -0.500721633      -1.17651713      -6.56200266    
 O    1.65392816       3.77076030      -3.52557111    
 H   0.859038532       3.29361343      -3.79692030    
 H    1.38478184       4.36671972      -2.81560373    
 O    2.56855249      -2.84900106E-02 -0.982161403    
 H    3.04810143      0.715153992      -1.37337232    
 H    2.18970251      0.288879067     -0.152613595    
 O   -1.38877320       3.43545556      -1.71092808    
 H   -1.22969389       2.98615980      -2.54924464    
 H   -1.97620261       2.86293793      -1.20333958    
 O   0.677954376       5.08479023      -1.23189306    
 H  -0.114758700       4.52455902      -1.32827806    
 H   0.373519331       5.97319651      -1.06971312    
 O    3.14061737       3.06376910      -5.83884287    
 H    2.73669958       3.49575710      -5.07411289    
 H    3.70599174       2.37009525      -5.47965574    
 O   0.869168818       7.31744617E-02  -3.19460917    
 H    1.41403580     -0.317373574      -3.88944197    
 H    1.41291881      0.106622450      -2.39575839    
 O    2.62370634      -1.06729066      -5.07247019    
 H    2.15693259      -1.01774824      -5.91804075    
 H    2.57544184      -1.97841549      -4.75285053    
 O    3.60529017       2.18828058      -2.27692890    
 H    4.07974148       1.75776315      -2.99892259    
 H    2.90785027       2.71024585      -2.70012450    
 O    1.41779435       1.16764128       1.29162776    
 H    1.75126541       2.00735497      0.929098785    
 H    1.73102534       1.11427343       2.19116163    
 O  -0.581083536      -3.25545025      -4.19116020    
 H  -0.790671885      -2.89208317      -3.32133126    
 H   0.358677983      -3.46822524      -4.16897249    
          69
 Energy    -248.13653129536652     
  O     19.04659523     10.15777724    -14.07560818
  H     19.87419206      9.66560219    -14.00267898
  H     22.25818858      8.91064136    -13.63112838
  O     20.93369545      7.56729382    -11.08738451
  H     18.65595613      9.93625883    -14.92983652
  H     19.27908303      3.45237746    -13.46862984
  O     15.47771958      8.29320825    -10.33697327
  H     20.20795630      7.79666268    -10.49822654
  H     20.28438622      4.55874722    -13.87182626
  O     12.92453462      9.92224243    -13.35028347
  H     21.05062055      6.61097408    -11.01214745
  H     14.96714714      8.14594753    -14.44777384
  O     17.40658099      9.39077901    -16.32369683
  H     14.65485930      8.79945837    -10.33039686
  H     15.97872900      9.06900404    -13.70914160
  O     11.45872603      7.53339425    -13.95529862
  H     16.01303799      8.65143644    -11.05877554
  H     18.80687871      6.36284709    -13.49081255
  O     18.32956121      5.30902579    -10.41765564
  H     13.76581411      9.79010561    -13.80417371
  H     18.07573624      5.92618523    -12.17835529
  O     14.46894643      5.97025467    -11.58088553
  H     12.34479087      9.21502293    -13.66121140
  H     14.24071847      6.32765483    -13.31188926
  O     21.01692247      4.72139475    -10.90353104
  H     17.15079725      9.97301916    -17.03541199
  H     13.16257364      6.80503792    -14.31817995
  O     16.18532863      3.83697589    -11.40802339
  H     16.62611809      9.28942987    -15.75403336
  H     20.70953249      7.02563589    -14.40334559
  O     17.45288007      2.97035989    -13.87671043
  H     10.57609958      7.31837070    -14.24309857
  H     19.67849230      6.40222770    -15.40990936
  O     21.36741129      8.57315543    -13.57953734
  H     11.50730377      7.31800582    -13.00562712
  H     12.61390373     10.37443739    -10.20664305
  O     20.15810017      3.80110522    -13.28177474
  H     19.25143947      5.02266603    -10.45455682
  H     12.98957880      9.81159469    -11.59768840
  O     15.38995851      9.01690373    -14.47356050
  H     18.32730649      6.21982862    -10.09755706
  H     18.21946367      8.51789614    -10.74422206
  O     17.97642914      6.42420192    -12.99852330
  H     15.00576143      5.17079428    -11.48412483
  H     17.41014526      8.12489593     -9.53231817
  O     14.09277074      6.56379561    -14.24196997
  H     14.88722081      6.68114110    -11.07832776
  H     15.52982888      5.61047379    -14.89931048
  O     20.22776897      6.22202527    -14.63070762
  H     20.76373085      4.33091884    -11.76035771
  H     16.93025946      5.71452550    -14.26183633
  O     13.01517662      9.62693247    -10.64191125
  H     21.65914876      4.13697158    -10.51067705
  H     18.03904851      7.61804119    -16.55746459
  O     18.30961029      8.09372201     -9.87949360
  H     16.92117088      4.22998904    -10.91770792
  H     17.62104545      6.17299877    -16.20742313
  O     16.43607488      5.28774946    -14.98077372
  H     16.57613388      3.43579443    -12.19195968
  H     12.15355211      7.90180862    -10.93565241
  O     18.35108526      6.70487710    -16.55016594
  H     17.05322102      3.70456985    -14.37158961
  H     12.69932637      6.51618753    -11.31644118
  O     11.89537699      7.05517163    -11.31971302
  H     17.23363232      2.17165706    -14.35124826
  H     17.49948262      8.05154768    -12.63671254
  O     17.29507864      8.97141466    -12.39701719
  H     21.23999666      8.25965703    -12.66627666
  H     17.90881266      9.53370322    -12.89367408
          69
 Energy    -248.13631387670296     
  O      9.98191668     10.44399852    -11.06587159
  H     10.78249214     10.50924478    -10.51455859
  H     13.69760746     14.60560082    -15.30452704
  O     14.61217063     10.70167815    -12.83905460
  H      9.24953451     10.30083430    -10.47293496
  H     18.67625573     12.14735679    -16.82782500
  O     17.06581141     13.61997430    -14.02783694
  H     14.30759638     10.00533289    -12.24174964
  H     17.96181322     11.28035598    -15.76339651
  O     15.74931399      7.18589320    -12.26700191
  H     15.54132584     10.89547565    -12.65589210
  H     13.56898055     13.10982622    -10.86653125
  O     10.67773926     11.97423890    -13.30199518
  H     17.41926936     13.23708144    -14.84016204
  H     13.56638219     13.84014873     -9.50500379
  O     12.24122696     15.15965529    -16.32687711
  H     16.18888243     13.95418231    -14.25463104
  H     17.81201573     10.36676976    -13.75948746
  O     15.09564518     12.20581200    -16.68838041
  H     15.84607678      7.38977340    -13.20844383
  H     17.39700027      9.21768139    -14.71740035
  O     13.15120658     12.96567193    -12.58383634
  H     16.63458735      7.03763554    -11.94115459
  H     16.38708099     11.31033117     -8.99186900
  O     14.22594777      9.92396025    -15.40249116
  H     10.32315058     11.52713080    -12.52353952
  H     15.52053417     12.28987862     -9.79271569
  O     12.31866495     10.56041509     -9.69357097
  H     10.96458530     11.28104324    -13.91562823
  H     12.40891914      9.92037661    -15.28221741
  O     10.55329164     11.41723805    -17.38584646
  H     11.93100843     16.03519217    -16.54141502
  H     11.07872685     10.37669225    -15.93174797
  O     14.36966045     14.13423715    -14.79642377
  H     11.47174267     14.66130721    -15.99673651
  H     15.33376009      8.55229489    -15.21344533
  O     17.86675283     12.06624513    -16.33125734
  H     16.05973709     12.16250416    -16.70520953
  H     16.02888720      7.26475271    -15.70959868
  O     13.81539981     13.02292641     -9.93016042
  H     14.85729916     12.85998375    -16.01414240
  H     12.59909638     13.74533106    -17.59579345
  O     17.99684380      9.96497038    -14.62103073
  H     13.67991179     12.15708132    -12.68678392
  H     13.60415071     12.58965297    -17.72831287
  O     16.39245733     11.87005258     -9.76552834
  H     12.24048801     12.72585466    -12.80166333
  H     10.72464071      9.03560696    -12.18803850
  O     11.45765924     10.00241647    -15.12655497
  H     14.51965734     10.66023278    -15.95566986
  H     11.28456972      8.85796710    -13.61136411
  O     16.01378239      7.89376509    -14.99214797
  H     14.35209482     10.20564635    -14.48124958
  H     17.07801739     11.60892658    -11.43163441
  O     12.73653134     12.89303440    -18.02748000
  H     12.84434840     11.36737445     -9.68987070
  H     17.20897306     12.27601208    -12.84665536
  O     11.29844420      8.47542057    -12.72502295
  H     12.85779204      9.87354114    -10.11238731
  H     10.13947566     12.87657776    -16.18684011
  O     17.21871498     11.42989441    -12.37085808
  H     11.35022078     11.89350357    -17.68169238
  H     10.23719982     13.14494287    -14.67630457
  O     10.17891103     13.58656176    -15.53413895
  H     10.06399358     11.18500490    -18.17037311
  H     12.83844306      8.46508514    -11.80295124
  O     13.62966263      8.66673648    -11.27787848
  H     13.93120207     13.80366884    -13.99997191
  H     14.32438108      8.04193035    -11.52480562
          69
 Energy    -248.13630343405538     
  O     11.96180057     10.17728275    -15.00997064
  H     12.45253426     11.00790447    -15.02609246
  H     14.83039995     10.75726739    -17.32062515
  O     16.54673524      7.09936495    -12.71493532
  H     12.55967970      9.50368696    -15.34736467
  H     16.06024665      8.62625077    -13.60062337
  O     17.24169184     11.32154788    -11.51080864
  H     17.23555090      7.54006174    -12.19987614
  H     16.31836853      9.77038627    -14.64389206
  O     17.56772757     10.56383341    -15.69269937
  H     15.74844619      7.08775418    -12.16875128
  H     11.51882149      8.06474518    -12.84285373
  O     14.11103936      9.97272489     -8.40571855
  H     16.36890314     11.49325429    -11.88903040
  H     11.39042678      9.47259915    -13.43894089
  O     14.22845268      7.32238623    -11.22527185
  H     17.12846284     11.26301489    -10.54986012
  H     18.80624919      7.81469892     -8.31725350
  O     14.72653753     11.51816884    -12.70369835
  H     18.04317148      9.75666602    -15.93143913
  H     18.22601563      8.27174713     -9.67471846
  O     15.26403372      7.36052466     -8.70306077
  H     18.09995674     11.03763654    -15.04056527
  H     13.20746194      6.67593102    -12.54835076
  O     18.76760273      8.05780947    -16.03462321
  H     13.72503055      9.99562870     -9.29836140
  H     12.33308985      5.59392786    -13.21793890
  O     16.57407420      6.54196934    -15.43326482
  H     13.44279817     10.30203818     -7.81023430
  H     18.42749094     11.63440030    -12.80500089
  O     19.97042755      8.97581430    -13.57316432
  H     13.91234040      8.23621752    -11.21358063
  H     19.50862499     12.51447666    -13.47118889
  O     15.18629429     11.52539109    -16.85308784
  H     14.56936506      7.15106395    -10.33500571
  H     17.91916077      9.57531893    -11.43469083
  O     15.65869371      9.37653435    -14.05730120
  H     14.29274174     12.05636493    -13.37625405
  H     19.03225367      8.70798882    -12.08769445
  O     11.27650244      8.96876325    -12.61830394
  H     15.01155495     10.71256402    -13.16707871
  H     17.27617511      9.94318942     -8.66395906
  O     18.01676924      8.15189504     -8.73288621
  H     14.84671697      8.19498109     -8.45204818
  H     15.88467244     10.59473686     -8.65956328
  O     12.65909656      6.48406966    -13.32763789
  H     16.21448539      7.52094108     -8.65462401
  H     13.99720516      8.59741977    -17.15712335
  O     19.02818931     11.69593415    -13.56705873
  H     19.24962549      7.66835186    -16.75979739
  H     13.36054425      9.01464959    -18.48986650
  O     18.35796464      8.71479272    -11.39217936
  H     18.00199366      7.48103966    -15.86856193
  H     12.43528345      9.66473289    -11.47861556
  O     16.81154540     10.76272074     -8.87209135
  H     16.60505431      6.54186678    -14.46423784
  H     13.70071163     10.57667314    -11.53351620
  O     14.12057238      9.16632879    -17.93181858
  H     15.67761700      6.80464862    -15.66013561
  H     13.18138220     13.41362783    -15.32213643
  O     13.22439559      9.93857254    -10.98639198
  H     19.81357308      9.92673302    -13.63664985
  H     14.14519289     12.26116265    -15.69476804
  O     13.53754268     12.58793001    -15.00584685
  H     19.64240336      8.59273223    -14.39568392
  H     13.38989583      7.34574298    -14.82817454
  O     13.86007088      7.88234616    -15.47852269
  H     16.07453537     11.28027599    -16.56582337
  H     14.46041021      8.46203633    -14.98223236
          69
 Ord_Energy   -248.136292    
 O   -2.80080152       1.89670432       1.75367260    
 H   -3.38595390       1.96654212      0.977023363    
 H   -2.02825069       2.42236900       1.56554592    
 O   -7.74535656       1.53020453      -2.19395614    
 H   -7.64899254       1.93786669      -1.32310510    
 H   -6.84978724       1.35723841      -2.50716257    
 O   -5.43590641      -4.22793961       1.00909293    
 H   -4.86625242      -4.11545134       1.78705347    
 H   -6.35534000      -4.23514414       1.30014849    
 O   -7.21931458       2.18581963      0.478913009    
 H   -7.32781124       2.55417824       1.36272442    
 H   -7.35128117       1.22869790      0.568238497    
 O   -5.38469362      -2.97142768       5.44540787    
 H   -5.47752571      -3.40719318       6.28796959    
 H   -6.27040911      -2.94787002       5.03881550    
 O   -8.89197159      -2.51434302     -0.475837708    
 H   -9.25419235      -1.85100389      -1.07694721    
 H   -8.48070335      -3.18993521      -1.03985536    
 O   -4.95013762      -1.53458905      0.457455754    
 H   -4.32260418      -1.20747483       1.11452413    
 H   -5.11550045      -2.46598673      0.658665836    
 O   -9.49524689     -0.526975274      -2.36220980    
 H   -10.2897167     -0.221049786      -2.79194450    
 H   -8.90313721      0.242883503      -2.29078436    
 O   -8.20123863      -4.04839039       1.70791745    
 H   -8.53059673      -3.48515916      0.988711417    
 H   -8.74186134      -4.83599806       1.69752347    
 O   -7.33703518       2.86089420       3.23245001    
 H   -7.65643311       3.62215185       3.70920539    
 H   -6.38908815       2.77553630       3.44161701    
 O   -4.73113298       2.38870263       3.81602359    
 H   -4.75127554       1.52918792       4.25783396    
 H   -4.04551792       2.32258844       3.14061213    
 O   -7.68729734       4.21672910E-02   3.52347136    
 H   -7.74086571       1.00471067       3.53891659    
 H   -7.64775753     -0.206981897       2.58702374    
 O   -7.72464895      -4.31080723      -2.17142844    
 H   -7.71345472      -3.65545511      -2.88612127    
 H   -6.80317068      -4.55874443      -2.03887844    
 O   -5.11881733     -0.296005517       4.58800936    
 H   -6.01040649     -0.193009064       4.22399521    
 H   -5.11218834      -1.14504910       5.04537249    
 O   -7.48490906      -2.06016827      -3.77250504    
 H   -6.68235731      -1.85906863      -3.27430582    
 H   -8.17700672      -1.50133860      -3.39908338    
 O   -4.52123976       2.06386709     -0.307037860    
 H   -4.57715940       1.70421422      -1.19871795    
 H   -5.43343401       2.19441819      -1.51247103E-02
 O   -5.01617098      0.899354398      -2.88437796    
 H   -4.95217133      -6.08045086E-02  -2.75472021    
 H   -4.65192318       1.08122504      -3.74762678    
 O   -5.02523327      -1.78014624      -2.26834679    
 H   -4.98086309      -1.56816840      -1.32295740    
 H   -4.88907909      -2.73351002      -2.30437922    
 O   -7.44577599     -0.537889838      0.855173111    
 H   -7.99828100      -1.17189980      0.384198874    
 H   -6.52906752     -0.822564602      0.726652741    
 O   -3.30354786     -0.755693436       2.52578163    
 H   -2.96811724      0.109462790       2.25920367    
 H   -3.92209721     -0.591049969       3.25304055    
 O   -4.91126728      -4.59573698      -1.67120337    
 H   -4.31429672      -5.32219934      -1.83200240    
 H   -5.03659487      -4.54773283     -0.708282351    
 O   -3.85061884      -3.52829742       3.10981274    
 H   -3.45349431      -2.67098355       2.91268015    
 H   -4.30840588      -3.42081332       3.95328498    
 O   -7.77358437      -2.70492077       4.20240593    
 H   -7.96168184      -3.14992213       3.36770821    
 H   -7.91845942      -1.76171374       4.05098486    
          69
 Energy    -248.13626563508669     
  O     15.68897769     10.93451588     -9.14308641
  H     14.98480693     10.72147224     -9.77079135
  H     13.85436673      5.47579873     -6.20681066
  O     15.54514170      4.41437622     -8.76405423
  H     16.52567612     10.84996279     -9.62127267
  H     17.72045813      8.03530623    -12.54632055
  O     15.57278022     11.86044526     -6.55264059
  H     15.63488665      4.41982702     -7.80342047
  H     17.75657794      7.43517586    -11.12536204
  O     12.70395443      4.53036952     -9.02072019
  H     14.59468165      4.37947363     -8.93131174
  H     16.25195041      7.30083031     -9.22589326
  O     13.86925599     10.04501173    -11.01097654
  H     15.54840960     11.66770556     -7.50135618
  H     16.36033979      5.78467657     -9.53780482
  O     18.02331536     10.48630398    -10.53263214
  H     16.49359895     11.74534689     -6.29340572
  H     15.75628494      9.48504045     -4.55537494
  O     19.42516780     10.10551228     -8.09291013
  H     12.11623349      3.83008862     -9.29115328
  H     16.83416720      8.43416092     -4.90267264
  O     12.31321545      6.68286891    -10.60099927
  H     12.52874073      5.28553012     -9.60993774
  H     15.25876434     10.78888453    -12.18531494
  O     14.01413632     10.18783275     -5.09289077
  H     13.04685129      9.90195372    -10.52696869
  H     16.78827484     10.91651891    -12.01017963
  O     11.69169112      9.22573144     -9.40372004
  H     14.18255668      9.16403666    -11.26312971
  H     15.61643134      9.29861311     -8.36999515
  O     12.86810656      8.51562999     -7.04483721
  H     18.58304885     10.46448333     -9.74747934
  H     14.53702448      8.35339371     -7.78259444
  O     13.03351617      5.86023934     -6.53679386
  H     18.14994934      9.63033558    -10.97214684
  H     17.73894700     10.41013001     -5.24584102
  O     18.23148210      8.02278258    -11.72811181
  H     19.00140576     10.44385555     -7.28897938
  H     18.67671190     11.62907199     -5.09843936
  O     16.66118292      6.65967573     -9.82678057
  H     20.35845157     10.29199813     -8.00629557
  H     15.93470103      4.21894621     -5.20471234
  O     16.69145038      9.27616890     -4.44745473
  H     12.00070797      7.51816848    -10.23599763
  H     16.13932199      5.57710877     -5.91396882
  O     16.09047312     10.83953153    -12.67305215
  H     13.10352482      6.89363651    -11.11677507
  H     15.38512429      7.12593228    -11.13038357
  O     15.46086053      8.39817826     -8.05771984
  H     13.54481683     10.68544839     -4.42762452
  H     15.21307572      7.67102347    -12.57232797
  O     18.24757287     11.07414443     -5.74541597
  H     14.51441765     10.83378043     -5.62462368
  H     19.13666289      8.17199944     -8.14187355
  O     15.59783857      4.76964484     -5.90658675
  H     12.06647565      9.00531530     -8.53346914
  H     18.38845960      6.96465345     -8.74589949
  O     14.73653490      7.47263163    -11.75619878
  H     10.81541842      9.56845306     -9.24710060
  H     16.38165014      7.59394911     -6.74257781
  O     18.96633547      7.22989090     -8.02195067
  H     12.85246740      7.58264728     -6.77555291
  H     17.81189290      7.04805241     -6.64124789
  O     16.97900679      7.10917235     -6.15232760
  H     13.18536491      9.05205454     -6.30741981
  H     16.26772992      9.32014467    -13.54516165
  O     16.34477881      8.40090536    -13.85883753
  H     12.82988267      5.37522081     -7.34734075
  H     16.39605869      8.43512386    -14.80976719
          69
 Energy    -248.13616457453935     
  O     13.85017642      0.59764011     -8.42564008
  H     12.98709938      0.68743718     -8.86330830
  H      8.52234257      6.44493555    -12.16587114
  O     11.48776147      1.06917843     -9.73410850
  H     13.85137035     -0.25579473     -7.99918719
  H      9.99825156      3.90603129    -11.87986424
  O      9.27927573      6.26848134    -14.00757085
  H     11.09818887      1.81050935     -9.24909960
  H     11.35152629      4.53400332    -11.46394473
  O     16.45515840      3.86656512     -9.30843720
  H     10.81242477      0.74425468    -10.34684904
  H     14.37266238      2.25063576     -7.61555425
  O     10.43277601      3.34796951     -8.59856210
  H     10.15443233      6.54786741    -13.67696581
  H     13.97901250      3.73300449     -7.38563066
  O      9.68153794      0.49428361    -11.72925261
  H      9.06744747      6.84318284    -14.73751495
  H     11.93200781      1.67366254    -13.34045728
  O     13.04653729      1.82377854    -11.97625690
  H     15.91215431      3.60390240     -8.54214792
  H     11.55103407      1.14146447    -14.73790106
  O     13.01659279      4.59815193    -12.24098505
  H     17.33576884      4.02775017     -8.98087032
  H     11.85911463      4.33531418     -8.05968561
  O     12.52311665      7.74679057    -10.50080701
  H     10.40838109      3.70593932     -9.50169853
  H     12.24257692      5.80254455     -7.75011744
  O      6.88185600      4.09871869    -10.22564048
  H      9.58417364      3.55679067     -8.19132782
  H     15.85711031      2.33679271    -10.31900751
  O      7.31053140      2.06645391    -12.17784705
  H      8.81668989      0.92016736    -11.76081500
  H     15.00648675      1.13422605     -9.87827115
  O      8.47150851      6.21809323    -11.23241037
  H     10.11691088      0.72630656    -12.55747686
  H      9.92552405      2.98432188    -13.86170738
  O     10.47144895      4.30314771    -11.13874381
  H     12.48170761      1.62939833    -11.21626638
  H      9.25420344      4.42155602    -13.82979145
  O     14.72204432      3.11465685     -7.36420639
  H     13.95731858      1.70167082    -11.67023099
  H     13.72148250      5.31325255     -9.27756941
  O     11.20354889      1.60751356    -13.98150391
  H     13.10792964      3.63791516    -12.22268911
  H     15.14042217      5.09463909     -9.85449739
  O     12.60839845      4.91650778     -7.86955838
  H     13.54498212      4.94401466    -11.50634090
  H      7.45836874      4.10248177     -8.59726459
  O     15.41070765      1.54880801    -10.65159246
  H     13.28062551      7.15879555    -10.38642407
  H      7.25692432      3.97120903     -7.06687671
  O      9.18244958      3.50541496    -13.52989653
  H     12.08323596      7.75281985     -9.64356734
  H     11.38405658      8.18430627     -7.25023264
  O     14.30809611      5.55659912    -10.00873260
  H      7.28409408      4.86485641    -10.65673432
  H     10.45947538      7.24798073     -8.06270101
  O      7.90059321      4.19477108     -7.73319421
  H      6.97171695      3.35936590    -10.83775290
  H     11.86894233      7.36606909    -12.18914145
  O     11.38981018      7.44936644     -7.85782303
  H      6.60007837      1.75857343    -12.73603113
  H     12.23132664      6.11461492    -12.98866219
  O     11.68284331      6.90967749    -13.02205834
  H      7.89737517      2.60254512    -12.73970254
  H      8.49436719      5.97788535     -8.13004133
  O      8.84379570      6.80110311     -8.49145688
  H      9.24794156      5.65670040    -11.07938948
  H      8.62879992      6.79306635     -9.43302964
          69
 Energy    -248.13577384154391     
  O     15.78617722      5.74099294     -9.13427752
  H     16.29731666      5.40705075     -9.88161954
  H     13.22663661      8.64919777    -13.30455028
  O     13.24038593      7.77684604    -16.23116893
  H     16.10546377      6.63927702     -8.98990156
  H     17.01383908      9.04547642    -14.08357913
  O     17.29432095      7.85303411    -15.41095786
  H     12.50486193      7.69616667    -16.83310113
  H     16.46239620     10.44407067    -13.70906363
  O     11.00776413      7.30352793    -11.89716922
  H     12.87866354      8.10966161    -15.39110072
  H     14.46112499      8.73881621    -11.36077025
  O     18.77621942      4.10507756    -13.56966667
  H     16.63339309      7.14899959    -15.38369820
  H     15.39211149      8.85440209    -12.60827037
  O     12.31448143      4.74066584    -11.81596613
  H     18.09619077      7.51076632    -14.98929209
  H     12.77404538      5.17435839    -10.00207423
  O     18.06624418      7.95445253    -11.46258877
  H     11.33118557      6.39390359    -11.90118650
  H     13.98430660      5.59454593     -9.12402685
  O     13.49538923     11.86726599    -10.71042165
  H     11.20992787      7.64373021    -11.01749766
  H     19.14722497      7.26833788    -12.96897968
  O     17.15863521      4.01928707    -15.77764285
  H     19.35300530      3.34562128    -13.55913481
  H     19.29421155      5.94706043    -13.74961255
  O     15.49220580     11.62941362    -14.82651525
  H     18.21375301      4.02175013    -14.35851206
  H     15.55137688      5.43035891    -12.28584332
  O     13.04521533     11.43965448    -13.37311541
  H     13.17586462      5.01825196    -12.17162614
  H     14.62786788      6.65481216    -12.49070721
  O     12.40067581      8.69306086    -13.81071914
  H     12.13470787      3.87492818    -12.17308264
  H     16.18391313      9.02694163    -16.37055651
  O     16.82951072      9.63432312    -13.33569199
  H     17.70411286      8.15969757    -10.59117575
  H     14.65605443      9.02170336    -16.57850808
  O     14.62439619      8.39293090    -12.24686574
  H     17.71178969      8.62858928    -12.05928887
  H     14.50861089      6.48226869    -15.75720605
  O     13.01705863      5.60927303     -9.17696051
  H     13.30762225     11.74544592    -11.65663294
  H     14.99630681      5.80794973    -14.44508379
  O     19.35163694      6.90604136    -13.83975607
  H     13.12867168     12.71564618    -10.47750608
  H     12.26365428      7.13819919     -9.12778706
  O     14.71770780      5.70935942    -12.68751914
  H     16.41831103      4.64250498    -15.70849119
  H     11.21349180      8.09898400     -8.51627082
  O     15.43505617      9.58964426    -16.61150766
  H     17.34262383      3.93608114    -16.71053695
  H     17.50833224      6.19542458    -11.55549174
  O     15.21120989      5.93905945    -15.38079247
  H     15.44182901     10.95801141    -15.53056150
  H     17.75609271      4.78702066    -12.16397717
  O     11.86195436      8.02375549     -9.21106260
  H     15.81357362     12.43025267    -15.23253446
  H     16.99603853      8.90786224     -8.23706726
  O     17.18893642      5.28085206    -11.56051397
  H     12.67310303     10.57947308    -13.60249756
  H     15.81394193      8.86948569     -9.23063461
  O     16.68459444      8.48429435     -9.03339786
  H     13.84765660     11.54142752    -13.90008027
  H     13.38126444      8.99326581     -9.47494795
  O     14.20452024      9.44138700     -9.71080825
  H     11.74683613      8.25483126    -13.24765585
  H     13.98117766     10.34081004     -9.99672829
          69
 Energy    -248.13557548959290     
  O      1.31646818     -1.29230199      5.26936689
  H      0.93308872     -0.40734930      5.18391211
  H     -4.29098408     -1.80686699      3.47719206
  O      1.90547868     -0.55666552     -2.49228661
  H      0.59307355     -1.85587249      5.56408347
  H     -3.46957569     -0.87893264      5.53697871
  O     -1.02754023     -2.79263228      6.20907360
  H      1.02878976     -0.33167342     -2.15269066
  H     -2.67871460      0.16342979      6.34161666
  O     -0.40118370     -0.18285454     -0.89190314
  H      1.99552185     -1.50870834     -2.35847017
  H      0.35847059      1.93266617      1.88391330
  O      2.14064853     -3.26797214     -1.56383992
  H     -1.67374971     -2.06426979      6.24253724
  H      0.18955439      3.44755851      2.11696615
  O      3.59770654     -2.07539513      0.39757506
  H     -0.85967957     -3.04272083      7.11483089
  H     -2.45191342     -0.78962376      3.41477671
  O     -2.87298004      2.65854919      3.49073179
  H      0.18401820      0.10621959     -0.17800442
  H     -1.05501119     -0.13819064      3.62668919
  O     -3.99645587     -3.35203596      2.71779810
  H     -0.47482026     -1.14729279     -0.81797545
  H      0.36866360     -3.18403846     -0.94758300
  O     -0.05864008      1.06544000      4.72105778
  H      2.68973429     -2.91635205     -0.84015073
  H     -0.41418984     -3.05832148      0.39141456
  O      3.51208947      0.61989975     -0.64612178
  H      2.61138292     -4.01191201     -1.92991292
  H      1.92127796     -1.51107994      3.58011204
  O     -4.78567106      1.14193128      2.00428984
  H      3.75330079     -1.17236584      0.09750497
  H      1.22787231     -2.22673768      2.41032968
  O     -4.22961367     -0.93469254      3.90140847
  H      3.15015593     -1.99545015      1.25163243
  H     -2.53195305      2.74197402      6.65168270
  O     -2.83607142     -0.78402349      6.26366203
  H     -3.56484336      2.22181957      2.97955413
  H     -2.60822182      2.27931859      5.17634949
  O     -0.16656139      2.59641067      2.36176081
  H     -2.06556412      2.61680610      2.96529204
  H      1.54842152     -0.10513351      1.72174768
  O     -1.57714478     -0.67280165      3.01863607
  H     -3.27317023     -3.83045509      3.13519555
  H      2.13889835      0.77478268      0.58800225
  O     -0.48653649     -2.94690239     -0.56918614
  H     -3.75530310     -3.22692572      1.78756389
  H     -1.72425699     -5.40753619      4.46334256
  O      1.96453987     -1.63611802      2.62195316
  H      0.02294020      1.69463987      3.99336233
  H     -1.47654614     -3.93730924      4.86994407
  O     -2.32185048      2.01663761      6.07005896
  H     -0.74464150      1.40799603      5.30877361
  H     -0.82191804     -2.18811336      2.43824146
  O      1.36627210      0.65963517      1.15675391
  H      4.19765333      1.16240384     -1.02541006
  H     -0.73103495     -3.69109781      2.76493245
  O     -1.69915583     -4.51644933      4.12316826
  H      2.99695494      0.25409947     -1.38808248
  H     -2.40871341     -2.91454336     -0.27035923
  O     -0.37671994     -3.01113129      2.18126258
  H     -4.11355368      0.81767316      1.37867617
  H     -3.21384237     -1.70169464      0.20189660
  O     -3.25404371     -2.66201936      0.11992737
  H     -5.56088440      1.35463066      1.49142616
  H     -2.01093630      0.18119921     -0.06523536
  O     -2.69861427      0.13459236      0.61033795
  H     -4.59999592     -0.27482696      3.30629660
  H     -2.24719443     -0.11262129      1.43225933
          69
 Energy    -248.13548639373266     
  O     17.78102210      9.76190246    -18.08607422
  H     18.21199166     10.61432326    -17.93786120
  H     17.19143207      5.71035248    -15.66203043
  O     16.12053371      5.90252361    -12.61581936
  H     16.83480372      9.92327710    -18.19654062
  H     17.84796906      6.61078875    -12.17323825
  O     16.54365538     13.58692580    -12.73774875
  H     15.89329782      5.03787121    -12.28338031
  H     18.45286962      7.89834731    -11.57909286
  O     21.50211121      9.59515485    -14.11730776
  H     16.15258581      5.82372821    -13.58589080
  H     20.80095309      9.24278917    -17.28471837
  O     14.69172728      7.54850078    -16.75328068
  H     17.04696257     13.35779644    -13.52930394
  H     21.30797166      9.86314752    -15.95655779
  O     14.26085435     11.06319113    -11.43903700
  H     15.61525759     13.49214072    -12.98568400
  H     17.77539429      9.09156593    -16.34729152
  O     15.32116558      8.46511733    -11.79404557
  H     20.63424211      9.95802643    -13.87141547
  H     18.15032411      7.81089406    -15.55849987
  O     17.66362583     12.51147072    -15.09593964
  H     22.12603477      9.90636881    -13.46615372
  H     14.35842144     10.57780110    -18.63289412
  O     20.54194139      6.85932548    -14.02160908
  H     14.76861331      8.25999715    -17.39348800
  H     14.98566866     10.77290014    -17.23611705
  O     15.27124878      9.06157140    -14.49163199
  H     14.68703435      8.00500888    -15.89867320
  H     17.49340889     10.50100749    -10.85680875
  O     18.92943243      6.23367738    -16.10279902
  H     14.42867199     10.11552426    -11.51661075
  H     18.20877214      9.96544107    -12.11321556
  O     16.29026215      5.68945068    -15.31391296
  H     15.01908018     11.42155382    -10.96060792
  H     16.73628317     12.70678341    -11.23024100
  O     18.68361633      7.05521185    -11.98558425
  H     15.48222460      7.53138547    -11.98383432
  H     16.87163990     12.73802624     -9.68927436
  O     21.05566179     10.07236093    -16.86491763
  H     16.18113562      8.85580234    -11.57646734
  H     18.55445345     11.26346220    -14.05737991
  O     17.81468382      8.71089170    -15.46185576
  H     18.21736671     12.45442136    -15.88391523
  H     18.58540546      9.74062339    -14.27189930
  O     15.05473576     10.26398029    -18.06110821
  H     16.79133939     12.16626898    -15.33427222
  H     13.04224953     13.31634393    -13.28612848
  O     17.78164605      9.68813027    -11.28946110
  H     20.98232708      7.71429416    -14.04888926
  H     13.92738567     12.16771941    -12.74959626
  O     16.71752111     12.15512761    -10.42788545
  H     19.94842855      6.88472350    -13.25460816
  H     20.00851195      7.60747380    -19.18271734
  O     18.92828888     10.44813068    -13.70201101
  H     16.17073398      8.83507822    -14.77418361
  H     19.04567715      8.47970562    -18.34669766
  O     13.85836788     12.84929905    -13.44321777
  H     15.20722232      8.86837511    -13.54972829
  H     14.56293817     12.06921339    -14.98497233
  O     19.80666060      7.87833644    -18.28995475
  H     19.57947790      6.33572448    -15.38703600
  H     15.11434001     10.63974507    -15.16759469
  O     15.06675315     11.51352043    -15.59169336
  H     19.30577978      6.63461735    -16.89384720
  H     19.68350688     12.70143252    -17.92151735
  O     19.27748861     12.03582750    -17.37231417
  H     15.74369965      6.20721769    -15.91915352
  H     19.97259416     11.38647507    -17.15683527
          69
 Energy    -248.13544539835743     
  O     11.91322571      9.11574942    -14.38819692
  H     12.46927857      8.54049350    -14.93111340
  H     16.29026867      5.01624756    -14.47712640
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  H     12.36297178      9.96826640    -14.37496797
  H     14.81534134     11.00421346    -15.68447984
  O     16.91777730     10.39245073    -10.47252027
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  H     16.30522419     10.62891881    -15.83754276
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  H     15.24856922      8.88507004    -13.14637615
  O     13.16219636      4.90363080    -15.16559156
  H     16.34328464     10.17540625     -9.72548525
  H     16.36587777      8.86184961    -14.20756697
  O     15.23393695      9.17098686     -8.63299314
  H     17.51519984      9.63152716    -10.56157080
  H     11.35135854      8.23508739    -13.00099099
  O     14.77436107      5.86552430    -10.93467152
  H     17.91053220     10.60693515    -14.00229732
  H     10.16289155      7.81151628    -12.10574840
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  H     18.37687053      9.42067626    -14.91754571
  H     17.86427459      7.50097518    -10.03724864
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  H     18.77747577      7.62206470    -11.28841867
  O     16.54250037      6.59839985     -8.97652221
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  H     12.74109872      5.03895474    -13.31751260
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  H     14.43068634      8.95796384     -9.12438628
  H     18.74083028     12.36556043    -12.28689259
  O     15.48294120     10.75225087    -16.33303834
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  H     17.77524378     11.28827997    -11.77162032
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  H     20.16696107      6.06278553    -12.77283090
  O     11.10414221      7.71030716    -12.21891053
  H     15.44240227     10.33940732    -11.53508972
  H     19.44597414      7.08599800    -13.67631964
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  H     14.08763236      9.57616183    -11.50470536
  H     14.16991487      7.78955741    -16.53057840
  O     12.55469832      5.22824878    -12.38956306
  H     16.65165865      7.39986604    -17.10788492
  H     14.45127304      7.74825145    -15.01279640
  O     18.20858492     11.62693976    -12.57118880
  H     16.86247466      6.09647946    -16.28922718
  H     12.47756844      8.10372968    -11.02080290
  O     19.40559634      6.63684607    -12.81728891
  H     16.64329824      5.92686598     -8.30640028
  H     13.84262168      7.45496664    -10.68817777
  O     13.79577517      7.51009123    -15.68634747
  H     15.87967422      6.26483574     -9.60451900
  H     13.38480926     12.32702237    -14.05779793
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  H     20.12698326      7.96386773    -15.92881519
  H     15.14361168      8.73331547    -18.75294826
  O     15.25609033      8.51945833    -17.83116613
  H     15.08851035      4.63708817    -15.35021456
  H     15.33084029      9.36551229    -17.35208955
          69
 Energy    -248.13537144789154     
  O     14.57403585      9.16714138     -9.77145372
  H     14.18327970      9.31884070     -8.91483605
  H     17.65591327      7.05532056    -15.94258287
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  H     15.72175601      9.66985106    -16.10696979
  O     15.67890891     12.47634803    -12.62230042
  H     16.61568622      4.89175467    -12.29956671
  H     16.26577329     11.04332676    -15.66095477
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  H     16.04112428      4.59805858    -13.74463303
  H     15.10886426      8.11043898    -12.88968317
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  H     15.84286656      6.74305121    -13.06861833
  O     12.61394277      6.68868175    -13.65389730
  H     16.36463692     12.33421597    -13.28545800
  H     14.66070159      6.02415934    -10.41692319
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  H     12.74738773     11.10742215    -14.45303349
  H     18.99333482      6.72795191    -13.95282319
  O     15.32895780      6.56758586     -9.98276525
  H     12.44842676     10.47134207    -16.90331339
  H     18.98139346      7.87147601    -12.91307503
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  H     13.96662455     10.39402039    -17.15929718
  H     12.67650409      8.45365051    -17.80503345
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  H     12.04262010      7.40300410    -18.74786903
  O     17.97637616      9.44725623    -12.75324184
  H     15.49712103      4.94045986    -15.81853298
  H     16.06478811     10.26288092    -10.30634927
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  H     10.37759897     11.19484571    -15.46397028
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  H     13.42310651      6.47752827    -16.77392974
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  H     18.98313397      6.53681517    -16.53905733
  H     13.82545649      9.12296202    -11.46308602
          69
 Energy    -248.13534772652159     
  O     -3.29102582      1.09479144      0.50554740
  H     -3.70964597      0.24989431      0.25605799
  H     -1.93381715     -5.69520765      1.65046059
  O     -2.39899018     -0.25677052      5.88882907
  H     -3.86301706      1.79062507      0.19423203
  H      2.64340156     -2.08519978      3.48859211
  O     -2.64590696      0.08301058      3.06006265
  H     -2.66254295     -0.04292345      4.98341326
  H      2.37874323     -2.44464111      2.01107696
  O      2.34715035     -2.75227553      5.31117001
  H     -2.95839012     -0.98619059      6.17828707
  H      0.05681778     -3.19768640      1.06178402
  O     -3.63915926     -2.77111389      6.70639721
  H     -2.95027216      0.56494944      2.28008926
  H     -1.28646209     -2.76396232      0.36529590
  O     -0.06154533     -1.45465513      5.14071257
  H     -1.69853997     -0.04857232      2.92401243
  H     -1.86689311     -3.77529694      2.20551310
  O      0.92157880     -5.13468301      4.67645515
  H      1.52064906     -2.24323924      5.37539975
  H     -3.31913100     -3.66003142      2.69102939
  O     -5.82024278     -2.35558547      5.00092493
  H      2.88783432     -2.49110798      6.05258947
  H      1.67018547     -3.90449936     -0.00121315
  O     -0.59445448      0.45538812     -0.16547406
  H     -3.56070285     -3.02678392      7.62233521
  H      1.65399194     -4.73006072      1.33368057
  O      1.18166291     -6.29005414      2.24779897
  H     -2.93185394     -3.23670171      6.22920403
  H     -3.75845783     -1.41628618      2.86255119
  O     -1.35504591     -5.43152166     -1.54865039
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  H     -4.97600397     -2.20913807      3.41867311
  O     -1.39688706     -6.21771714      1.04088206
  H     -0.78819418     -0.95659133      5.54313449
  H      0.28665317     -4.44269185     -1.72401035
  O      2.51603865     -1.69978810      2.61460783
  H      1.51539906     -4.40894513      4.90553491
  H      0.73873266     -2.97530790     -1.90150496
  O     -0.80994745     -2.79265908      1.20389793
  H      0.04540190     -4.86374989      4.97515831
  H      1.00144838     -0.77260787      2.49606178
  O     -2.55099828     -4.24678855      2.70727273
  H     -5.13075193     -2.53749044      5.65711753
  H     -0.35496283     -1.33646858      2.01464609
  O      1.75597044     -3.84502083      0.96274892
  H     -6.58382433     -2.05993468      5.49043396
  H      0.05238860     -0.78072943     -2.99976633
  O     -4.35818648     -2.15182842      2.67700808
  H     -0.22072324      0.26626326      0.70210773
  H     -0.24582705     -0.63403794     -1.49132242
  O      1.05357890     -3.85829184     -1.67182175
  H     -1.49989464      0.74941072     -0.00256961
  H     -2.07139206     -3.73876117     -1.40834388
  O      0.05255023     -0.57314791      2.45930235
  H      1.08869893     -5.91180599      3.14069845
  H     -1.62151362     -2.27584999     -1.69948559
  O     -0.14867239     -1.28059082     -2.21286876
  H      1.71358982     -7.07649395      2.33741325
  H     -1.93495404     -4.04829016      4.37135071
  O     -2.25868446     -2.81212637     -1.20794125
  H     -1.38205056     -5.74880286     -0.62796550
  H     -1.04434118     -3.03302817      5.15896162
  O     -1.56898219     -3.84161086      5.24516716
  H     -1.63533755     -6.15896395     -2.09729500
  H     -4.47085926     -1.73179780      0.85762397
  O     -4.32249188     -1.33540923     -0.01164943
  H     -0.53414136     -6.32017048      1.46179088
  H     -3.69553700     -1.90621566     -0.47561845
          69
 Energy    -248.13527422318202     
  O     10.53523531     11.96910543    -10.35557268
  H     11.36390929     12.34200763    -10.00562279
  H     13.35442564     13.60564349    -10.00633687
  O     14.66913717     10.42226334    -12.56889673
  H      9.84883024     12.18965716     -9.73175572
  H     10.08746431     10.04323728    -17.44342676
  O     16.99865317     11.37892055    -15.23091872
  H     15.62134066     10.56241367    -12.52095077
  H     11.42310987     10.41200570    -16.75391177
  O     15.52977825      7.18532768    -11.55526862
  H     14.40026271      9.96983821    -11.75827714
  H     14.23356264     12.72886911    -14.84071405
  O     10.81502655     12.27648227    -13.13289157
  H     17.62327079     11.66553890    -15.89359273
  H     14.12079362     13.25081424    -16.28624959
  O     12.84192057     14.25494952    -17.02065735
  H     16.15812573     11.81698062    -15.44522740
  H     14.34753287     15.45803184    -11.58251387
  O     13.16091457     10.33999118    -16.68759148
  H     16.41691007      7.55703269    -11.63855725
  H     14.07781906     14.00049249    -12.02691765
  O     14.93606881     11.09848856     -8.81964793
  H     15.30995629      6.85889572    -12.43548308
  H     17.54237737      8.42426492    -13.94194053
  O     13.51817979     12.81022387    -13.18064737
  H     10.80973012     11.34903937    -13.41279868
  H     16.99994124      9.39572780    -15.01382506
  O     13.43324384      8.77012138    -14.39852354
  H     10.61151951     12.27682818    -12.18961338
  H     15.86457663     13.46095330    -10.80340311
  O     18.06379685      8.43842352    -12.10498903
  H     12.02910736     13.92103965    -16.60329568
  H     16.02449178     12.19212493     -9.94386420
  O     12.88557020     12.96267555     -9.46086972
  H     12.55847042     14.85339590    -17.70578419
  H     10.50980616      9.79519697    -14.84828678
  O     10.45299289     10.43991451    -16.65764237
  H     13.33102045      9.71352655    -15.97041627
  H     11.73102082      9.24204514    -14.09365773
  O     14.60723353     12.62692479    -15.72760572
  H     13.65217362     11.13686532    -16.45660934
  H     15.30682020      5.81153214    -14.88032021
  O     14.39180393     14.55216135    -11.28878867
  H     15.18151703     10.80693752     -7.94516286
  H     15.86652782      7.23034238    -14.61109585
  O     17.09770935      8.46181618    -14.79914534
  H     14.58909774     10.31839004     -9.28623776
  H     11.06531098      9.27672419    -12.04972466
  O     16.47836005     12.74771843    -10.59060883
  H     12.55891249     12.69322281    -13.19916576
  H     11.02676002     10.17489088    -10.80259188
  O     10.84194625      9.60582657    -13.96209211
  H     13.90311719     11.96560445    -12.90106767
  H     17.36117550     11.35111858    -13.37452567
  O     15.16670247      6.59918709    -14.36225662
  H     13.91636844      9.34602831    -13.78830856
  H     17.18262541     11.74432175    -11.84521021
  O     11.35493982      9.32858685    -11.13158100
  H     13.90422497      7.92958951    -14.42162846
  H     10.45753593     12.28535239    -16.19304873
  O     17.42110685     11.03622361    -12.46401307
  H     17.90903003      9.39924676    -12.13373433
  H     10.59388628     13.03665194    -14.86509967
  O     10.62368783     13.16113801    -15.82179742
  H     18.92912202      8.31008862    -11.72534504
  H     13.01008546      9.00410082    -10.54075946
  O     13.94489870      9.03583228    -10.28530064
  H     13.55345206     12.33613017     -9.15637184
  H     14.41586639      8.27352005    -10.65395583
          69
 Energy    -248.13500715113634     
  O     -5.91165368      0.54239573      0.64226591
  H     -5.51357087      1.37989144      0.36671713
  H     -1.52335717      2.46406264      3.54676904
  O     -6.16069101      0.82408886     -3.74092955
  H     -5.77364953      0.45768226      1.59432390
  H     -0.69548541      4.24283585      0.75086534
  O     -5.12150852      0.34437289      3.34856113
  H     -6.69529300      0.51809753     -2.99792096
  H     -0.72694204      3.91914919      2.25987100
  O      0.54671795     -0.52030426      0.21035307
  H     -5.75657546      0.03092420     -4.11419544
  H     -3.72070289      2.30966290     -0.04085677
  O     -1.92265249     -0.90688337     -0.96617430
  H     -5.50847060      0.38015354      4.21934371
  H     -4.42631181      3.62520997      0.32821709
  O     -4.73537496     -1.58784583     -4.40294495
  H     -4.50339755      1.09433361      3.27989136
  H      2.39432132      1.46798358     -2.01446646
  O     -4.25198187     -1.76650027      0.24369508
  H     -0.25463729     -0.81426557     -0.24745733
  H      0.93488071      1.30314316     -2.50091872
  O     -2.66296730      0.03583880     -3.45948156
  H      0.97231983      0.10219595     -0.38895046
  H      0.33910158      2.68316234     -1.02757321
  O     -4.10498409      2.42076571     -2.90904846
  H     -2.71319804     -1.32437609     -0.59930064
  H     -0.84622827      3.50003097     -1.61161430
  O     -0.23036737      1.38410550     -3.80887842
  H     -2.13377427     -0.63793914     -1.86966803
  H     -6.45628215     -1.82066337     -1.85948614
  O     -0.28400549     -0.30797540      2.79067852
  H     -5.06285393     -1.97802276     -3.57217938
  H     -5.17373757     -2.41159092     -1.25243933
  O     -0.56479734      2.48000990      3.43368269
  H     -4.83460444     -2.25237975     -5.07882313
  H     -3.59699517     -0.88347125      3.02786376
  O     -1.02611926      4.56178828      1.60044797
  H     -4.80319957     -0.97678450      0.31401206
  H     -2.08286976     -1.03211195      2.71572852
  O     -4.52831679      2.82692841     -0.20229044
  H     -3.77869846     -1.83520533      1.08709285
  H     -2.11052332      0.64365197      0.00126863
  O      1.49426589      1.39254719     -1.70853144
  H     -3.29280945     -0.56967424     -3.87016991
  H     -1.55140492      2.09241364      0.08358870
  O     -0.40627980      3.24940279     -0.78946099
  H     -3.15268992      0.83954209     -3.23808309
  H     -2.73912161      4.80288553      1.61315468
  O     -5.73574311     -2.43766679     -2.03850872
  H     -4.87739796      1.97387524     -3.28651693
  H     -3.96060973      5.68660093      1.95997405
  O     -2.94111289     -1.46381488      2.62552276
  H     -4.32305249      2.62712450     -1.98988098
  H     -7.01932104      0.03337787     -0.66191497
  O     -2.24400537      1.50515965      0.41410737
  H     -0.63602677      2.25918166     -3.78051713
  H     -8.43605798     -0.24788971     -1.20972852
  O     -3.71392324      4.81662794      1.65951654
  H     -0.97583450      0.76886782     -3.80164499
  H     -2.85346056      1.92551430      2.10960500
  O     -7.51128947     -0.26887235     -1.44334017
  H      0.04816605     -0.36308306      1.87736520
  H     -3.57746986      3.19013303      2.61669493
  O     -3.33176444      2.29220072      2.87105004
  H      0.30020841     -0.84748191      3.31901999
  H     -1.85842398      4.57321327     -3.74094627
  O     -1.73759714      3.76479885     -3.24914491
  H     -0.33924433      1.56882816      3.20831460
  H     -2.61026366      3.34011697     -3.19294902
          69
 Energy    -248.13500002927731     
  O     10.87075641     10.41234135    -11.01963374
  H     10.30565750     10.16285115    -11.76206124
  H     15.19662696      7.88445246    -17.33426302
  O     13.20781269      7.75462874    -15.01876824
  H     11.63092741     10.86227970    -11.40913128
  H     15.42921037     13.57232018    -13.93392264
  O     17.54505013     10.11648395    -11.41649841
  H     13.60062629      7.42643208    -15.83848509
  H     15.90028314     12.10018777    -13.98350978
  O     17.88938385      8.93076613    -15.85928611
  H     13.93170619      8.18055759    -14.53209008
  H     15.18866857      8.89569199    -12.71992581
  O     11.80363634     10.06897569    -14.69951935
  H     17.93349720      9.25870497    -11.20940499
  H     15.91579829      9.46719269    -13.94347334
  O     16.08300684      5.91166372    -10.99292203
  H     16.61717230     10.04739271    -11.14870645
  H     10.68184597      8.17303393     -8.77232829
  O     12.86363836      5.97507727    -12.95045251
  H     17.26652586      9.25377512    -16.52673633
  H     11.05515144      8.97612514    -10.04185484
  O     14.81614460      9.63101754    -11.08403502
  H     17.56297118      8.05536694    -15.62397608
  H     19.26799281      7.88926472    -14.27164070
  O     15.78341042      9.69004841    -17.56688792
  H     10.93314649      9.88932071    -14.32475993
  H     18.29434785      6.74390343    -13.99977250
  O     15.33948505      4.53616998    -13.17978625
  H     12.20545025      9.20329850    -14.87193117
  H     11.10246567      6.48755002    -12.44299856
  O     17.16650526     10.89287363    -14.00270346
  H     16.85567032      6.48304641    -10.91417433
  H     10.51710311      7.22376354    -11.22070919
  O     14.88986127      7.00968673    -17.06126660
  H     15.32323935      6.39224633    -10.64046781
  H     16.16831131      7.26554407    -14.29376403
  O     15.11370640     12.67356756    -13.98158226
  H     12.89914662      6.56567228    -13.71801303
  H     16.19806215      5.72124955    -14.32997534
  O     15.37231943      8.72603405    -13.65195161
  H     13.59049988      5.35211764    -13.06101422
  H     19.23739006      7.22158739    -10.45667065
  O     11.12665643      8.10437365     -9.61254674
  H     14.35564939      8.83592410    -10.78401968
  H     18.78085650      7.34143283    -11.92845706
  O     19.09536569      7.16912317    -13.66131333
  H     14.16595776     10.22167249    -11.48949463
  H     13.15939807     10.86071863    -15.78436885
  O     10.32775640      6.97333850    -12.13360583
  H     15.80555732     10.05396862    -18.44852309
  H     14.35570622     11.78118288    -15.48336805
  O     16.58472606      6.50754603    -14.73623874
  H     15.13407380     10.21571544    -17.06718673
  H     12.79149457      7.45718888    -10.07938004
  O     18.49286611      7.45458781    -11.00647241
  H     15.47282067      3.59924326    -13.06377911
  H     13.33524166      6.80355203    -11.37356233
  O     14.00308690     11.16737018    -16.13873962
  H     15.65033199      4.97159518    -12.36341862
  H     13.75549248     11.87661834    -12.92181582
  O     13.60494955      7.21297392    -10.53861665
  H     17.60951071     10.31087687    -14.63242459
  H     12.66062761     10.84861002    -13.27580827
  O     13.10190171     11.28403405    -12.53170672
  H     17.43223879     10.64725526    -13.10068874
  H      8.57340765      9.24907202    -13.49490683
  O      9.50031577      9.30082666    -13.27780209
  H     15.53446422      6.69076366    -16.41845662
  H      9.75871044      8.42494381    -12.93865013
          69
 Energy    -248.13498704427047     
  O     14.44239097      9.54010877    -16.71703396
  H     13.83571599      8.90865084    -16.31273673
  H     15.78490118      2.57536537    -15.59918256
  O     14.38149745      3.01736096    -14.68759939
  H     15.13258114      9.02735473    -17.16132637
  H     19.81302395      6.86825972    -15.74656736
  O     18.19897345      7.69752417    -12.23700914
  H     14.49864776      3.44726414    -13.83109962
  H     19.24899970      5.44187518    -15.83604349
  O     18.25037201      6.06660755    -18.69721167
  H     14.06698837      3.72416828    -15.27153085
  H     17.17523976      7.50154372    -18.12456730
  O     15.87736178      4.54052245    -18.07166022
  H     17.40044169      8.08760454    -12.62707379
  H     16.55857488      7.48686973    -16.72000245
  O     14.15724253      7.17386908    -10.09549983
  H     18.90458142      7.85952870    -12.87459740
  H     16.96859814      5.82639769    -15.12561626
  O     14.80406037      4.69414553    -12.47590424
  H     18.84116630      5.95419773    -19.43669038
  H     15.47056937      6.01284928    -15.48311046
  O     16.00206625      8.61575673    -13.54829210
  H     18.80542598      6.10043802    -17.89713680
  H     11.77064410      7.82141091    -15.37869049
  O     18.14064256      4.41375374    -14.86097195
  H     16.17828032      3.79555294    -17.53641941
  H     12.97744734      7.51663808    -14.46857587
  O     14.25851306      4.32122719     -9.80513484
  H     16.67133274      5.01838851    -18.33781550
  H     17.08744453      5.72756279     -9.42513742
  O     18.28082545      9.78653260    -15.96056898
  H     15.08021587      7.41592967     -9.95262221
  H     16.14187703      4.51582440     -9.45199514
  O     16.58929967      2.47564203    -16.14057874
  H     14.09095360      6.24730684     -9.83284984
  H     13.46503249      6.07393450    -16.24263209
  O     19.64895093      6.14867464    -16.36453620
  H     14.41716536      5.55353900    -12.68682434
  H     14.48394879      5.15373902    -17.05465805
  O     16.68191372      8.04694317    -17.50157223
  H     15.76456625      4.80773534    -12.45175091
  H     20.78062779      8.69864751    -14.38692773
  O     16.27470210      6.48784982    -15.23566071
  H     16.13232383      7.92274053    -14.21707706
  H     19.34916943      8.86997819    -14.94498597
  O     12.71209667      7.66273768    -15.39169158
  H     15.97371796      9.47077808    -13.99303471
  H     17.85437518      5.87583481    -12.26348814
  O     17.07185867      4.76641552     -9.51986647
  H     18.01682517      4.40624785    -13.90180992
  H     17.52591726      4.72665113    -11.27644085
  O     13.96637107      5.25290688    -16.23976794
  H     17.66919045      3.66360677    -15.24525644
  H     17.50967506      7.70863610    -10.54691849
  O     19.91907391      8.28875895    -14.40899742
  H     14.38568339      4.35081796    -10.76919716
  H     17.38900371      8.28576507     -9.12250209
  O     17.58633966      4.94816700    -12.21682052
  H     13.64319223      3.61396458     -9.63087704
  H     14.49587562      7.84079256    -13.04101991
  O     17.01464998      7.63786827     -9.71539847
  H     17.59565729     10.36969737    -15.61433882
  H     13.68126881      7.31517849    -11.84664249
  O     13.71658746      7.31043434    -12.81432451
  H     17.83230986      9.22819312    -16.60992848
  H     15.31923354     10.58359072    -15.64994355
  O     15.89769417     11.01595384    -14.99455145
  H     16.68570327      1.54485156    -16.32216961
  H     15.56113404     11.89771573    -14.86501504
          69
 Energy    -248.13487213210982     
  O      1.59461337      0.59495145      5.11098804
  H      2.12595964      0.72063722      5.89234050
  H     -5.53507585     -2.44362235      4.86433593
  O      0.69494426      1.15624135     -2.57046173
  H      1.02216380     -0.17530175      5.28079974
  H     -2.84484241      0.47373985      5.32943882
  O     -0.08289326     -1.48358217      5.50778433
  H      1.08919555      0.27691151     -2.56285942
  H     -3.46775988     -0.95747353      5.10233751
  O     -1.21442875      0.79458532     -0.58045513
  H     -0.08875195      1.08720713     -2.00450580
  H     -3.95073919      1.91107433      0.61515776
  O      1.84997341     -1.43861905     -1.91860457
  H     -0.12303966     -2.29949458      4.99732364
  H     -4.11134508      0.57770726     -0.12578886
  O      3.18022904      0.18298576     -0.18898766
  H     -0.98910262     -1.14390849      5.53555070
  H     -2.28119991     -0.43346067      3.43056049
  O     -3.81326483      1.92969194      2.56249047
  H     -0.72431596      1.20915453      0.14166030
  H     -1.29828134     -0.72197318      2.27724888
  O     -2.96103346     -3.74589654      2.94697842
  H     -2.12541308      1.11688116     -0.54387639
  H     -0.93793045     -0.97360426     -0.67131581
  O     -0.35132532      2.39355252      4.02607715
  H      2.48578689     -1.91833188     -2.44267539
  H      0.20501108     -1.88103784     -1.18782293
  O      2.10844380      2.76415946     -0.88958968
  H      2.36039401     -0.90974278     -1.27871701
  H      1.53367650     -0.63313051      2.26307894
  O     -5.75441725     -0.15579471      2.67755610
  H      2.97817986      1.09861859     -0.41687353
  H      2.14486230      0.27611761      3.35855326
  O     -4.82140564     -2.02035014      4.39418630
  H      2.99560194      0.10271760      0.75671641
  H     -2.86280264      3.06411742      5.79881653
  O     -2.64761872     -0.46872052      5.24973374
  H     -3.61076878      2.28165097      3.43617495
  H     -1.90154091      2.41555348      4.77196734
  O     -3.84688108      1.49950829     -0.25223190
  H     -3.15474352      1.23243353      2.42030789
  H      0.99559068      2.46409774      0.62936492
  O     -2.16401900     -0.34856971      2.47565260
  H     -3.62114061     -3.15921462      3.33370567
  H      1.06586457      1.35611952      1.69560640
  O     -0.63222782     -1.89441524     -0.70630163
  H     -3.00139818     -3.64463180      1.98896623
  H     -1.33733011     -3.79198159      3.52985280
  O      2.17477268      0.07996753      2.41497381
  H     -0.17381765      2.39593663      3.07738701
  H     -0.11329809     -4.64545743      3.94216887
  O     -2.79185424      2.35377014      5.16759375
  H      0.33137018      1.84286028      4.42843129
  H      0.06849751     -2.52172894      2.48071123
  O      0.47729874      2.02413158      1.31504343
  H      1.61702661      2.27549672     -1.57412134
  H     -0.01048226     -1.94490786      1.01617798
  O     -0.39227927     -3.75173176      3.76338008
  H      2.43959276      3.55706586     -1.30194155
  H     -2.87521671     -4.22575702     -0.58672939
  O      0.22942802     -1.74522706      1.92985276
  H     -5.42750076     -0.58095015      1.87139060
  H     -1.98497956     -3.00021005     -0.28679695
  O     -2.74545482     -3.51318078      0.03437217
  H     -5.27251383      0.68005757      2.72339498
  H     -3.45004298     -0.90067699      1.29068056
  O     -4.14070411     -1.16189068      0.65993085
  H     -5.22602607     -1.35473245      3.80977316
  H     -3.84915231     -2.00156808      0.29202062
          69
 Energy    -248.13471794703389     
  O     -4.90382187      3.29511233      2.51925252
  H     -5.79252834      3.49506769      2.80047992
  H      1.79382236      2.64589284      3.56376406
  O     -2.26235231     -3.19939137      1.74597536
  H     -4.30695494      3.84059342      3.06183037
  H     -2.30474351      2.81046941     -2.18775909
  O     -0.59778912      2.64160646     -3.02769429
  H     -1.35987154     -3.44593591      1.50942826
  H     -3.33744610      1.88701805     -1.50961980
  O     -3.34502331      0.07839417     -0.81127614
  H     -2.18403251     -2.43317790      2.33014944
  H     -1.76424253     -2.81801151     -1.37388155
  O      1.65548004      0.88867833      3.86257573
  H      0.05867380      2.95532636     -2.38044855
  H     -0.69665852     -1.81605274     -1.84253346
  O      1.21175949      3.30355899     -1.11564950
  H     -0.35790263      3.02066188     -3.86878137
  H     -1.01001252      2.69652918      3.24293097
  O     -0.93663247      2.34637505      1.45857373
  H     -3.41651560      0.39281050      0.10106694
  H     -0.02193000      3.39828443      4.17513899
  O     -0.81676879      0.58787853      5.39299992
  H     -3.53114554     -0.86862857     -0.79257598
  H     -2.44289129      5.68735238      1.11758879
  O     -3.53704726     -2.72607581     -0.60506235
  H      0.96248613      0.71455879      4.50995258
  H     -2.02808097      7.14553199      1.43233368
  O     -1.81419658     -0.79785494      3.13498937
  H      1.56462952      0.18095360      3.21190448
  H     -2.51387631      1.60923401      1.56567838
  O      0.77661734     -1.12134600      2.07372805
  H      1.03848809      3.93268020     -0.40405225
  H     -3.97659406      1.75680309      2.05687996
  O      1.75201018      3.61885367      3.53835314
  H      1.30355649      2.44014744     -0.68897100
  H     -2.33998721      4.21215631      4.10710024
  O     -3.13571211      2.81100989     -1.69775679
  H     -0.62555177      3.23132338      1.23389271
  H     -2.66153930      5.40691277      3.19775849
  O     -0.81925237     -2.72883165     -1.54888598
  H     -0.32859487      1.73773806      1.01862858
  H     -0.73100237      0.84850193     -2.50350794
  O     -0.91238657      3.02610775      4.15023826
  H     -1.02379062      0.60738542      6.32388762
  H     -1.70737666      0.06670724     -1.58492497
  O     -1.85361640      6.23840613      1.66853048
  H     -0.94282657      1.49140355      5.05648360
  H     -3.38858910      4.02599121     -0.41311148
  O     -3.32194507      1.10949990      1.76952744
  H     -4.24038228     -3.35527596     -0.74028231
  H     -4.10244645      4.15995027      0.95306648
  O     -3.05646897      4.80276562      3.83915345
  H     -3.15637829     -2.91325769      0.27191882
  H      0.95573741      0.06321121      0.71968637
  O     -0.83017122      0.03369149     -1.99598813
  H     -2.40804588     -0.16626075      2.70492063
  H      0.32323641      0.42737872     -0.65642636
  O     -3.52269905      4.62160343      0.33862543
  H     -1.55892096     -0.42009615      3.98505612
  H      0.92521977     -4.33173072      0.56092531
  O      0.86585678      0.77027321      0.06836770
  H     -0.12267922     -0.99838090      2.41056479
  H      0.04077420     -3.26880404     -0.13356397
  O      0.40993678     -3.54670945      0.72443000
  H      0.79162780     -1.99048342      1.65390458
  H     -0.23427732      5.36232269      1.43259249
  O      0.47225275      4.74649249      1.19626788
  H      2.56662317      3.93307886      3.92218103
  H      0.93734986      4.48103014      1.99968500
          69
 Energy    -248.13448731308134     
  O      0.02380980      3.16765863      4.32107164
  H     -0.03063552      3.75524819      3.55649944
  H     -0.32052668     -0.43265890      2.29221289
  O     -2.16761013      1.45899004      4.27806027
  H     -0.79426753      2.65019511      4.32152217
  H     -2.55375891     -2.96312916      1.86111105
  O      0.81300302      2.09371348      6.82951801
  H     -1.79416567      0.86658032      3.60411714
  H     -3.67511588     -2.04782107      2.49086822
  O      1.90142904     -1.07370795     -0.32488963
  H     -3.09280978      1.56921468      4.03335498
  H     -4.43174943      1.28510760      2.20024840
  O     -4.52289536     -1.47909915      3.90334131
  H      0.11903182      1.42451466      6.88460378
  H     -5.53369774      1.78804251      3.15764166
  O     -3.15809435     -1.19253266     -0.77492293
  H      0.57274991      2.65336109      6.07865569
  H      1.74123586     -0.82354647      1.48847073
  O     -1.16079224      2.14516744      0.66426744
  H      2.53060514     -1.52581936     -0.88035013
  H      1.79981433      0.20917493      2.66301820
  O      1.10435441      1.66202709     -0.75948962
  H      1.05185842     -1.54136253     -0.42004992
  H     -1.31767527     -1.90826803     -0.60010127
  O     -2.83058905     -2.08934877      6.12719959
  H     -4.00945321     -1.60713811      4.71035132
  H     -0.65809139     -2.92635277      0.36752122
  O     -1.05417660     -4.03439561      1.92456449
  H     -4.62990526     -0.52938672      3.76869094
  H      2.26948876      1.20223416      6.43625499
  O     -0.75784847     -3.28667816      4.50433115
  H     -3.27280598     -1.60359160      0.10171905
  H      3.72568573      0.72281022      6.65589338
  O     -1.23662249     -0.12637000      2.30600107
  H     -3.75135021     -1.64481086     -1.37033843
  H      1.63423067      3.81799972      1.34147048
  O     -3.12719507     -2.20306615      1.70753174
  H     -0.43465180      1.98830128      0.04015795
  H      2.55809326      2.74963183      1.93387760
  O     -4.71736612      1.29576102      3.13120289
  H     -1.20420810      1.36141132      1.22896758
  H     -0.27987295     -0.45856753      5.84367404
  O      1.46780011     -0.66260479      2.39943932
  H      1.67939112      2.20330824     -0.19781805
  H     -1.47649087      0.52386969      5.63523917
  O     -0.48444576     -2.33910454     -0.37811820
  H      1.42800946      0.75735698     -0.69143160
  H      1.87681189     -0.80464244      5.49269161
  O      2.97985103      0.64630245      6.06745834
  H     -3.11162679     -2.42712558      6.97428630
  H      1.29589531     -1.18426296      4.11459824
  O      2.39678670      3.26505765      1.13333806
  H     -2.22740384     -1.34929526      6.30761706
  H      2.70686046      1.39956292      4.32738600
  O     -1.02776597     -0.03414104      6.28940174
  H     -0.88412195     -3.78968764      2.85204294
  H      1.50252720      2.21098039      3.79343906
  O      1.17494913     -1.31191619      5.06775798
  H     -0.96816020     -4.98290892      1.87521801
  H     -2.97731035      1.77577169      0.48159010
  O      2.29160489      1.72120167      3.51886433
  H     -0.01734957     -2.72878474      4.77525394
  H     -3.68771095      0.50627250      0.01221331
  O     -3.81695368      1.29977218      0.54422230
  H     -1.51397038     -2.99841398      5.02811047
  H     -0.56361838      5.19359021      1.42372096
  O     -0.18435623      4.42115320      1.83448966
  H     -1.81979022     -0.85802035      2.07747272
  H     -0.59388223      3.64713590      1.40911336
          69
 Energy    -248.13441171549778     
  O     12.63889860      8.51239786    -10.05614375
  H     13.52442893      8.86290666     -9.84854878
  H     14.17709245      7.61710534    -17.29090745
  O     15.56254733      4.96746409    -13.27827822
  H     12.05780678      8.79525780     -9.35574989
  H     18.56983079      7.58630760    -14.44610369
  O     15.42840492     11.69980230    -11.58489311
  H     14.62561133      4.73921482    -13.33992513
  H     18.11361148      6.20158838    -14.93349253
  O     18.05009426     10.49987130    -11.77188813
  H     15.92574480      4.96896079    -14.17259292
  H     16.45496678      9.75136424    -15.34374673
  O     11.34388049      8.86557254    -16.42124459
  H     15.35440284     12.63036179    -11.38351401
  H     15.27838251      8.96622739    -15.97600123
  O     15.77347504      5.34281214    -10.43617473
  H     14.92691694     11.55466787    -12.40239265
  H     15.62090780      6.77431445    -13.04458492
  O     12.46836364      6.91283860    -14.72773305
  H     17.92788897      9.69764482    -11.24986514
  H     14.75606497      8.05360137    -12.84173916
  O     13.99610793     11.10912034    -13.89356697
  H     17.22016927     10.98689121    -11.69857448
  H     13.97861224      5.58987717    -10.52236673
  O     13.93401167     11.03122387    -17.68894626
  H     11.83527692      8.70254502    -17.23542752
  H     12.84718276      6.64242068    -10.46135885
  O     16.55787352      5.45821179    -15.86672534
  H     11.56469316      8.13190732    -15.83269245
  H     12.78602006      5.01345329    -12.28198721
  O     17.66908553      9.18834959    -14.16700287
  H     15.91423100      5.06771288    -11.35180833
  H     12.26847791      3.78675181    -13.07215878
  O     14.58793161      7.29734701    -16.47743695
  H     16.33449582      6.11379346    -10.30662562
  H     16.63166596      7.89890830    -11.42387708
  O     18.79463430      6.64523672    -14.41776632
  H     12.60476211      7.56937433    -14.02630440
  H     18.01256887      7.43083343    -10.90210627
  O     15.60015140      9.85702637    -15.78461538
  H     12.45680197      6.05317402    -14.29116964
  H     19.13062614      6.45356584    -12.66762180
  O     15.66058013      7.73370963    -12.93540919
  H     14.61438731     10.68923206    -14.51078508
  H     20.07711431      6.00960715    -11.53942368
  O     13.05239560      5.75085927    -10.75937455
  H     13.22753155     11.36423031    -14.42026691
  H     13.48846843      9.48139305    -18.37867365
  O     12.75106185      4.60317512    -13.16727886
  H     14.65538217     10.76290003    -17.10093711
  H     13.12285273      8.51570062    -19.53207409
  O     17.21731545      7.92617678    -10.65033808
  H     13.23439603     11.34920813    -17.10639605
  H     15.22093188     10.31138723    -10.29818458
  O     19.25036825      6.45488406    -11.70360604
  H     15.90164536      6.12215553    -16.13523591
  H     15.87879533      8.98547123     -9.84746930
  O     13.21970925      8.56791402    -18.58535909
  H     16.73916975      4.92589349    -16.63775777
  H     11.62420240     10.51780060    -15.90055788
  O     15.10059810      9.54414311     -9.72483063
  H     17.97876728      9.74383700    -13.43903838
  H     11.07880911     11.95727728    -15.75499241
  O     11.87340824     11.43484451    -15.68580810
  H     16.95591090      8.64593698    -13.79135749
  H     13.28398919      9.62845375    -13.07670019
  O     13.04703155      8.73548848    -12.79608238
  H     13.86968564      7.12279598    -15.85107115
  H     12.80952356      8.74508948    -11.86032763
          69
 Energy    -248.13439033645233     
  O     12.62758258      9.40621538    -15.71622209
  H     13.39508422      9.99156873    -15.68506822
  H     18.86332452      6.58861928    -14.99785828
  O     16.08470302      5.36398691    -12.43504424
  H     12.26990133      9.33678070    -14.82387532
  H     16.02435991     11.18133136    -15.86218173
  O     17.66653508      9.68433241    -11.78193024
  H     16.88336271      5.84224421    -12.16909353
  H     15.45415866      9.81091738    -16.25611522
  O     17.69952307     11.76365252    -15.66775569
  H     15.35947151      5.64822014    -11.85963795
  H     14.28625607      6.93786295    -14.32797113
  O     13.26183646      5.55924723    -15.13332875
  H     16.82919199      9.88195296    -12.22672292
  H     15.56857890      6.79187991    -13.49103352
  O     14.66042180      9.29903413     -8.72937229
  H     17.56481196      9.90674884    -10.84907908
  H     11.48259552      7.91684628    -13.05713290
  O     14.00780900      6.43316741    -10.93280776
  H     18.21032303     11.07504564    -15.20943096
  H     10.45734130      9.07525591    -13.07620635
  O     15.29338088      9.97740610    -13.14773495
  H     18.31127779     12.47424243    -15.83834062
  H     17.96445936      6.93900639    -10.00092502
  O     15.09882860      6.47488294     -8.36591681
  H     13.15782773      6.01376920    -15.97988467
  H     17.65365843      8.08331147     -9.01544315
  O     17.60877531      5.95515501    -16.03012784
  H     14.04366237      4.99473518    -15.18394401
  H     12.24755033      5.85682194    -13.62515528
  O     15.70824014      4.11874443    -14.84382749
  H     14.67764110      8.36563964     -8.48558357
  H     12.53502157      6.12155544    -12.12489457
  O     19.52425486      6.96014123    -14.38789403
  H     14.14037004      9.35598860     -9.54272784
  H     18.67883663      9.87123182    -13.34102563
  O     15.20951477     10.65624239    -15.85634018
  H     14.28318978      6.33890044    -10.01189558
  H     19.23171369      8.89594448    -14.39203706
  O     15.06498067      7.41948667    -14.02237748
  H     13.86976517      7.37961205    -11.07983644
  H     18.01352561      7.91839678    -11.84031630
  O     11.38864932      8.88211918    -13.15091563
  H     15.19289195      9.04429443    -13.39897346
  H     18.78663782      6.88253942    -12.68230538
  O     17.62827675      7.12297080     -9.11516127
  H     15.28697551     10.45177443    -13.98689535
  H     16.31638770      9.81433582     -8.89259385
  O     11.87252039      6.23535245    -12.81798574
  H     15.10340556      5.93228167     -7.58236046
  H     17.52993144     10.63008677     -8.38385508
  O     19.02869680      9.82489075    -14.24102902
  H     16.02981768      6.62908930     -8.60881733
  H     15.61721639      7.80818995    -15.71317166
  O     18.24159141      6.97773398    -11.89100830
  H     16.99170255      5.28233381    -15.72125486
  H     14.92360139      7.70334729    -17.08566081
  O     17.26900036      9.97158723     -9.02173674
  H     17.06958475      6.64898469    -16.43277103
  H     14.12096461      9.61499044    -11.83869355
  O     15.75026023      7.96565640    -16.66173133
  H     15.83718140      3.17388813    -14.81006983
  H     12.65099881      9.17532702    -11.78920116
  O     13.45976907      9.20255560    -11.26395010
  H     15.86696775      4.45488054    -13.94417462
  H     12.56114133      7.35782699    -18.13484461
  O     13.06715338      7.29214331    -17.32997274
  H     20.37666286      6.66182882    -14.69479550
  H     12.83328790      8.06676749    -16.78416018
          69
 Energy    -248.13435237829702     
  O     -2.52394119      2.47639608      2.64335930
  H     -2.61387192      1.52112053      2.77446619
  H     -1.32038409     -3.93628146      2.96348314
  O     -2.26635689      3.16464122      5.38575184
  H     -2.53203364      2.85479206      3.53096050
  H      0.29368276     -1.42131702      2.32193295
  O      1.86469386     -2.34581549      0.04855589
  H     -2.72584826      3.73091754      5.99930410
  H      0.29381440      0.08582293      1.96818348
  O      0.34061071      0.66256134     -1.56349893
  H     -1.32453522      3.41686786      5.41878912
  H     -3.81580556     -1.31746043      2.29268420
  O     -0.94295247     -1.67825453     -0.48511844
  H      1.81155405     -2.61612631      0.97597398
  H     -4.12809735     -1.49008210      0.79531475
  O     -2.63701706     -0.23711766      3.22981919
  H      0.96043555     -2.34193135     -0.28578855
  H     -0.44080837      0.65995485      5.26651220
  O     -3.53464904     -0.66539665     -0.85510611
  H      1.23026912      0.57442051     -1.20086511
  H     -1.76286820      1.32577830      5.69017685
  O     -0.94094703      3.02170650     -1.33040171
  H     -0.11914879     -0.15403702     -1.33627313
  H      1.87643883     -2.37970196      3.58965518
  O      2.79779234      0.19762390     -0.20239143
  H     -0.74332479     -1.29246870      0.38456540
  H      0.74247354     -3.34439085      3.15442997
  O     -0.30669088     -2.16188995      5.88752941
  H     -1.84814897     -1.41284073     -0.69930413
  H      0.67233988      4.24040773      4.65531568
  O     -2.07052871     -3.64668208      1.44105219
  H     -1.83752360     -0.48075880      2.73782523
  H      0.84218117      2.82114802      5.25844530
  O     -0.83027391     -4.07218356      3.79418278
  H     -2.33611957     -0.07728313      4.13341168
  H      0.98835105      2.16676199      1.70666146
  O     -0.25928379     -0.70531263      1.98356522
  H     -3.46856246      0.26309705     -0.56953021
  H      2.04861022      1.09989153      1.25252550
  O     -4.20838277     -1.92723768      1.65136885
  H     -4.15572862     -0.68622668     -1.57872577
  H      1.36344948     -1.82554953      5.57734768
  O     -1.33772234      0.46730789      5.57895946
  H     -0.47606335      2.17575919     -1.46549182
  H      2.87147795     -1.85943213      5.93421808
  O      1.43984608     -2.76367937      2.81868787
  H     -0.89087865      3.50116643     -2.15255956
  H      1.45639332      1.20454026      3.79597997
  O      0.37697776      3.65934076      5.37055037
  H      3.68909102      0.20896090     -0.54086326
  H      1.75687972      0.22003567      4.95347010
  O      1.51729157      1.41021534      1.99597261
  H      2.54398428     -0.73829404     -0.10960563
  H      0.57145903      4.65227193      2.42799915
  O      2.25471492     -1.58581457      5.26055154
  H     -0.66922900     -2.74965861      5.21352349
  H      1.13525810      6.04371995      2.75947430
  O      1.30301853      1.04288815      4.73791531
  H     -0.82726870     -1.34843656      5.87982276
  H     -3.15683194      2.19740421      0.84911061
  O      1.00808393      5.17057439      3.12159111
  H     -1.64272751     -3.24002764      0.68344396
  H     -2.52861548      2.35308426     -0.55114039
  O     -3.23880580      1.91203600     -0.06862965
  H     -2.90177896     -3.16010062      1.55676016
  H     -1.04183798      3.12425136      1.81938544
  O     -0.25649953      3.44079688      1.34832180
  H     -1.00396502     -4.96990049      4.06579236
  H     -0.45608044      3.40969722      0.40488980
          69
 Energy    -248.13429047479343     
  O     14.51779759      8.91450295    -16.39948158
  H     15.08962081      8.85491057    -17.17461536
  H     17.30190887      2.95494994    -17.56878607
  O     14.33369752      2.53665100    -16.04358400
  H     15.07486098      8.72589887    -15.63785887
  H     20.43495905      5.26047411    -15.55285489
  O     16.95684646      6.38172215    -11.75974863
  H     15.25637041      2.43473769    -16.34148201
  H     21.47226574      4.73784403    -14.52859977
  O     19.98165989      5.61283184    -17.18971790
  H     13.86797781      1.74733767    -16.30644323
  H     17.77472912      7.08198463    -16.51431404
  O     18.15879170      4.12964628    -18.81568562
  H     16.93391251      5.43370147    -11.96542437
  H     18.46334590      8.39604368    -16.05485726
  O     14.43528246      6.40246125    -10.53098203
  H     16.64108986      6.85907190    -12.53779082
  H     15.95037423      5.55377867    -16.25877629
  O     14.24945723      3.78897534    -13.49837770
  H     19.56243267      6.48298737    -17.19435697
  H     17.19413178      5.06417054    -15.43181748
  O     16.05353179      7.85293031    -14.07503870
  H     19.42112761      5.04783838    -17.73657297
  H     12.77556922      6.74917384    -15.00589234
  O     18.15415244      3.67117535    -14.68993165
  H     17.44265167      4.76473283    -18.99602446
  H     13.19013403      7.65172087    -16.18417474
  O     13.72815005      3.60953779    -10.69353425
  H     18.41970670      3.76987466    -19.66008194
  H     15.21040632      2.73574226    -10.16522273
  O     18.49767689      9.21291696    -14.36757441
  H     15.36350265      6.41641003    -10.81358157
  H     15.99642121      1.54658546     -9.58425386
  O     16.91649987      2.46459822    -16.83355080
  H     14.36821761      6.99098718     -9.78277984
  H     13.74342049      5.68253842    -16.79021834
  O     20.57907559      5.06215468    -14.60941915
  H     14.00022771      4.71819825    -13.59198821
  H     14.25762120      4.20499116    -16.85916284
  O     18.30244983      7.83653279    -16.82440996
  H     14.20222996      3.36817374    -14.36462790
  H     18.77686503      6.76987823    -12.41593008
  O     16.71687454      5.84188862    -15.74490025
  H     16.80442891      8.45870063    -14.10918125
  H     19.85614701      6.39313141    -13.47497075
  O     12.70450505      6.84254602    -15.96272019
  H     16.26612537      7.10666204    -14.66250855
  H     16.68963814      3.17672555    -11.54418741
  O     16.10446737      2.36964463    -10.05283338
  H     17.75656571      3.59565691    -13.81033629
  H     15.88765685      3.69206661    -12.77477835
  O     14.43375809      5.10609673    -17.15174595
  H     19.03796555      4.04300791    -14.58979095
  H     15.41415096      5.56958942    -18.60964183
  O     19.46836550      7.12849927    -12.98428885
  H     13.88054948      4.54624809    -10.51764805
  H     16.14442429      6.81737103    -19.14243442
  O     16.76256571      3.69548209    -12.35718369
  H     13.72532746      3.52920428    -11.65652159
  H     14.41235320      7.10839596    -13.57512358
  O     16.11203131      5.85750600    -19.21640161
  H     18.85804638     10.04334410    -14.06994166
  H     13.72087651      6.55027184    -12.31935675
  O     13.68160033      6.54653254    -13.28321852
  H     18.93333942      8.50932919    -13.85090577
  H     17.14382667      8.43913892    -18.03604294
  O     16.37588011      8.64724077    -18.59455150
  H     17.42510199      2.73146801    -16.05401288
  H     16.64037970      9.35443547    -19.17798509
          69
 Energy    -248.13424772312644     
  O     14.67389186     10.35830359    -10.95778432
  H     14.71478768     10.71111211    -11.85554355
  H     12.20607002      8.52417788    -10.53125122
  O     13.58070850      9.69214476    -16.85809955
  H     15.40867573     10.72468858    -10.44291814
  H     18.18806380      6.55807334    -14.74793715
  O     17.37925112      9.78625581    -14.15840050
  H     13.78802059     10.61045264    -16.64243139
  H     18.20247188      5.38100139    -13.76269690
  O     12.92210347      5.46764122    -12.15854645
  H     13.29536961      9.28010811    -16.03295292
  H     15.54761717     11.91402224    -16.33167046
  O     16.78966569      8.59643439     -8.25575370
  H     16.52754020     10.13946829    -13.86533942
  H     14.59831179     13.13846118    -16.35019837
  O     17.03979502     11.05752389    -16.67222762
  H     17.82416793      9.40789787    -13.38961614
  H     13.74861975      7.79323746    -14.25570162
  O     15.65838706      7.84557666    -11.68282166
  H     13.54894888      5.58969164    -12.88058156
  H     12.50838520      8.41976192    -13.58616874
  O     14.79430713     10.78497374    -13.67068963
  H     13.45549513      5.44794695    -11.35040346
  H     15.76045445      8.56524193    -18.90260574
  O     18.38110788      8.13692289    -12.10278473
  H     15.93202349      8.17806750     -8.11853927
  H     15.01026315      9.04597686    -17.63594564
  O     16.73226204      4.22133098    -13.24914311
  H     17.36858364      7.94587561     -8.67040180
  H     11.90851581      6.90138679    -12.12712224
  O     17.22273494      4.71814416    -10.46506168
  H     17.36195065     10.69490493    -15.83581976
  H     10.53146716      7.60388061    -12.19536021
  O     12.68341397      8.88233570     -9.77578919
  H     16.79925757     10.29872461    -17.21805588
  H     13.67897626      7.54407323     -7.07636183
  O     18.68968626      6.17344624    -14.01689163
  H     16.61340300      7.95862194    -11.78165289
  H     13.55590440      8.03067592     -8.54014905
  O     14.66257500     12.22912468    -16.07257027
  H     15.29027349      8.69035309    -11.39478135
  H     14.45586174      6.23285173     -9.20405836
  O     13.17656628      8.56966484    -14.26746811
  H     14.69738920     11.40668731    -14.40184057
  H     15.06612460      6.54582448    -10.58309741
  O     15.87623546      8.75715586    -17.97618817
  H     14.21427798     10.03385424    -13.86157957
  H     18.18715749      6.05387559     -9.89744031
  O     11.47036831      7.77037947    -12.16188347
  H     18.62579561      7.81983235    -11.22513736
  H     19.42361532      6.57270059     -9.12742564
  O     14.11525092      7.52322616     -7.92353184
  H     18.60353687      7.43332734    -12.73324513
  H     15.22896204      6.91696045    -13.09727136
  O     14.71389102      5.82331819    -10.03872339
  H     16.07815633      4.89516561    -13.48688252
  H     15.61216985      6.71315660    -14.59730192
  O     18.64619808      6.85939011     -9.59993954
  H     16.42587844      3.39927878    -13.62603686
  H     17.33176849     11.67453173     -8.91304664
  O     15.02670401      6.39488161    -13.89326216
  H     17.15837719      4.45328162    -11.38916266
  H     16.83433009     10.21664420     -8.93755637
  O     16.78139121     11.07017623     -9.40226851
  H     16.32021457      4.94879015    -10.20126092
  H     17.00967000      8.31779371    -15.14396292
  O     16.79425743      7.51953798    -15.65064268
  H     13.31352523      9.52115486    -10.14240860
  H     16.52775662      7.81484626    -16.52903597
          69
 Energy    -248.13420034948186     
  O     17.29242585      8.31352152    -14.35630512
  H     17.18375732      7.86997257    -15.20509630
  H     18.31373862     11.56966391    -14.48807000
  O     16.78634328     11.33603288    -11.26213067
  H     16.49492829      8.85062931    -14.21812090
  H     12.58655265     11.70676467    -14.35641244
  O     14.35610076     12.38520988    -14.67308592
  H     17.24928099     11.06872954    -10.45827163
  H     11.82117706     10.43301657    -14.79101211
  O     12.30111832      6.52413757    -14.55391433
  H     15.93495611     10.87209427    -11.25262142
  H     14.72283885      9.64232409    -13.04846368
  O     16.89374014      7.73809511     -9.00111485
  H     14.94163051     12.85960498    -14.06826035
  H     14.78930513     10.66056942    -14.19764241
  O     16.64468326      6.33308910    -12.50940781
  H     14.80570937     12.33801473    -15.52639846
  H     11.93249245      8.24844700    -11.79021153
  O     14.44384101      9.91860873    -11.25115803
  H     13.22320319      6.21515213    -14.58904569
  H     12.20110518      7.07267296    -12.75515232
  O     14.77553254      9.26896817    -16.69120630
  H     11.75638559      5.77826475    -14.79474351
  H     19.58839243      9.35575840    -11.74048582
  O     18.77739967      6.34641438    -10.66791545
  H     17.52882524      7.15747899     -9.43806838
  H     19.32868039      9.37191620    -10.22582808
  O     15.99137575     11.81927518    -16.93975804
  H     16.04357536      7.55423143     -9.42294291
  H     15.41057321      6.04204940    -15.39493421
  O     16.38149090      7.05355181    -16.71805435
  H     17.38254875      6.19465732    -11.90270738
  H     15.46209758      5.75474415    -13.87912509
  O     17.85287309     12.23842613    -15.01021100
  H     16.92670460      7.03143564    -13.11743693
  H     16.38551150     14.29138166    -12.46272316
  O     11.82652556     11.15378988    -14.14308856
  H     13.49408121     10.09106187    -11.28341842
  H     16.48632500     12.75993656    -12.27835857
  O     14.99023276      9.74328777    -13.96922886
  H     14.56257703      9.00006248    -10.96862711
  H     18.31911406      9.55267382    -13.58413918
  O     12.23316831      7.33257791    -11.82623993
  H     14.69647425      9.29379681    -15.72417098
  H     18.02908992     10.63717697    -12.50914923
  O     19.76434777      8.86908486    -10.92500611
  H     15.18278816     10.10973930    -16.93547830
  H     17.57411366      9.33599464     -8.97023341
  O     14.88962942      5.70838100    -14.65531788
  H     19.19785518      7.21391345    -10.80730165
  H     18.23326670     10.46835254     -8.14777451
  O     16.30523921     13.46189959    -12.92661509
  H     19.47343232      5.73723671    -10.43684565
  H     13.81497968      7.13597592    -11.02103614
  O     18.70607752     10.30958050    -13.11808050
  H     16.72801639     11.91731056    -16.30937740
  H     15.32107490      6.87178809    -11.34857821
  O     18.04250668     10.18839689     -9.03882072
  H     16.20276321     12.36270364    -17.69444003
  H     11.69634831     10.53217910    -12.55130464
  O     14.71917688      7.24179881    -10.68811113
  H     15.78097751      7.80781684    -16.84756285
  H     10.94683515     10.53072758    -11.19730635
  O     11.69732080     10.15811815    -11.65125318
  H     16.66440875      6.77042341    -17.58332270
  H     12.08104899      8.16638787    -15.45311325
  O     12.03143973      9.01601927    -15.91083231
  H     17.41678711     12.80258274    -14.36002080
  H     12.84069799      9.08022832    -16.42984341
          69
 Energy    -248.13404997014308     
  O     10.12331513      9.61984575    -11.97277380
  H     10.56550269     10.07646330    -11.23459856
  H     12.16168762     10.49160192     -9.52701057
  O     14.66983687     10.87790885    -12.45617366
  H      9.30710409      9.26695573    -11.62899007
  H     13.60239747     13.54449502    -14.25609445
  O     16.55379715     13.98001509    -13.45972869
  H     14.49301084     10.06752452    -11.96245577
  H     13.47938497     14.08599187    -15.69586305
  O     16.62315998      8.09492725    -12.55490948
  H     15.39526164     11.34610505    -12.02149463
  H     19.06160588     13.31422789    -15.97958794
  O     10.85582557     11.04320714    -14.25250496
  H     17.20041241     13.75264420    -14.13951833
  H     18.44541440     12.14898752    -15.16755177
  O     12.14813231     13.97622307    -17.02319258
  H     15.72715492     14.13039507    -13.93333927
  H     12.45151999     13.33978802    -11.34505117
  O     15.70611114     12.08921885    -16.37882893
  H     16.38895872      8.40918186    -13.43492393
  H     11.99708081     14.43834049    -10.35511993
  O     13.81103725      9.83424123     -8.89302191
  H     17.28506370      8.71420801    -12.22002569
  H     18.62343785     10.43081684    -13.50488511
  O     12.70244068     12.67201595    -12.95725790
  H     10.49990010     10.55906004    -13.49623508
  H     17.60680495     10.18864870    -14.62803455
  O     15.70582910      9.82629452    -14.76829923
  H     11.54599288     10.49536890    -14.65470598
  H     14.53744723     11.59951750     -9.15496920
  O     18.41620466     10.15320661    -11.65536372
  H     11.94821424     14.59309683    -17.72274460
  H     14.01064472     12.94938848     -9.66914188
  O     11.40183858     10.89610969     -9.96327125
  H     11.29711099     13.69045254    -16.64889569
  H     13.82497681      9.45279771    -15.15561263
  O     14.11331628     13.92161681    -14.98654337
  H     16.60496814     12.42918908    -16.29879245
  H     12.88462412     10.04472089    -16.20834084
  O     18.25444036     13.01538358    -15.57040555
  H     15.14677797     12.70192077    -15.87758011
  H     12.77482867     12.16395789    -17.43001091
  O     12.34208470     13.55058779    -10.40172264
  H     13.94137219      9.30744756     -8.10862756
  H     14.14955143     11.50508794    -17.31118924
  O     18.47682921     10.56561242    -14.44928698
  H     14.00974946      9.25907615     -9.65250697
  H     11.49394792      8.47634471    -12.63688182
  O     14.81582132     12.49045032     -9.40117726
  H     13.39382550     12.01722225    -12.76669492
  H     12.42001522      8.37022805    -13.86585073
  O     12.89301943      9.51961219    -15.39273539
  H     11.98560294     12.19605313    -13.39416637
  H     16.16821067     12.49379754    -10.57058826
  O     13.21621773     11.30820736    -17.46939850
  H     15.71180736     10.53988205    -15.42347931
  H     16.71291042     12.97717336    -11.98170857
  O     12.28009462      8.02956104    -12.97481751
  H     15.37475468     10.22476990    -13.94704802
  H      8.95814361     12.78219192    -16.16676930
  O     16.76665486     12.28593785    -11.30392684
  H     17.87080190     10.93792015    -11.47071233
  H     10.14274162     12.26588724    -15.33286573
  O      9.86101823     12.97816366    -15.92995980
  H     19.08679659     10.11813529    -10.97838903
  H     13.57238714      8.16836148    -11.76221748
  O     14.28781733      8.42573872    -11.16085810
  H     11.61226543     11.83465264    -10.03792942
  H     15.12758635      8.15981306    -11.56326482
          69
 Energy    -248.13402668305156     
  O      2.13321856      0.92759425      4.02696672
  H      1.54733009      1.68262121      3.83584060
  H     -3.41649590      3.33871833     -0.72964419
  O      0.19876935     -0.45290636      5.58327956
  H      2.96631258      1.29036716      4.31559442
  H     -2.08816527      1.86161042      5.23915837
  O     -1.24382066     -1.69537844     -1.23814856
  H     -0.00983212     -1.19600805      5.00710112
  H     -1.31498564      0.52322230      5.54009459
  O      0.95290270     -4.84415083      0.05579236
  H      0.92791333      0.01332021      5.15394067
  H     -0.15224326      1.47695181      0.48453363
  O      2.82041215     -2.87664867      0.30829856
  H     -1.29335508     -2.32407696     -0.49892897
  H     -1.42223901      2.39743016      0.57413793
  O     -3.90567452      2.91401966      2.70978359
  H     -1.00387859     -2.20403368     -2.00996631
  H     -3.83312443     -0.19993165     -0.17958806
  O     -3.08842169     -3.27043851      4.49435823
  H      1.66617650     -4.18481887      0.11395575
  H     -2.67035920     -0.43278814     -1.16017821
  O      0.43185172      2.93194002      3.44036742
  H      1.38117544     -5.69277460     -0.01115977
  H     -2.04539557      0.46752842      3.51017743
  O      2.91456029     -0.86091024     -1.66181112
  H      2.54326396     -2.31840770      1.04548759
  H     -1.44733197      0.80457540      2.10847270
  O     -5.73643010      0.78333941      3.34020845
  H      2.96963262     -2.27586573     -0.43396482
  H     -0.50105600     -4.03176558      0.59482295
  O     -4.37522732     -0.73751454      5.11240958
  H     -4.55590680      2.22858075      2.90615720
  H     -0.99773254     -3.09241131      1.73317474
  O     -3.12337305      2.71864605     -0.06738298
  H     -3.70598379      2.84942055      1.76871308
  H      0.89285163     -1.62574948      2.65050290
  O     -2.17459244      0.90369729      5.30606062
  H     -3.29771235     -4.04971851      5.00266130
  H      1.86495218     -0.42776896      2.79709124
  O     -0.63785816      2.09535655      1.04826969
  H     -3.44215402     -3.41314447      3.59726760
  H     -2.74385621      3.41820894      3.90861286
  O     -3.38024935      0.18264638     -0.94560542
  H      0.12471567      2.74236181      2.54134823
  H     -2.37297209      4.41423489      5.03286809
  O     -1.88324461      0.11579739      2.62388488
  H     -0.34444295      3.25259442      3.91254455
  H      1.00291355     -0.38464742      0.62871782
  O     -1.22722032     -3.44893390      0.86738911
  H      2.16563851     -0.41793850     -1.23449216
  H      0.02508339     -0.55026179     -0.57640243
  O      1.58833194     -1.13341711      2.19751154
  H      3.50482439     -0.16482559     -1.94108482
  H     -1.11256687     -1.37492046      3.08845385
  O     -2.08693267      3.61360712      4.60163055
  H     -5.30711988      0.22839952      4.01740978
  H     -1.44345336     -2.66515861      3.88115547
  O      0.69616893      0.02986937     -0.19155903
  H     -6.65127723      0.86826035      3.59411377
  H     -4.13219748     -2.56968114      1.69547040
  O     -0.73293067     -2.21210404      3.40785667
  H     -3.62957093     -0.15780000      5.32974679
  H     -3.04199208     -3.62407051      1.41234596
  O     -3.85475266     -3.47141708      1.91139360
  H     -3.99711275     -1.60831313      4.95088135
  H     -3.42637208     -0.46874544      1.86923053
  O     -4.28058680     -0.73794196      1.49734116
  H     -3.24250703      1.82783531     -0.44375726
  H     -4.94577610     -0.26506439      2.01103348
          69
 Energy    -248.13382498798774     
  O     16.37818984     13.07512969    -15.12865924
  H     16.26664454     14.00936566    -14.97491682
  H     18.92470747      4.50370755    -13.62926980
  O     14.90348659      6.28357103    -13.88785796
  H     15.79169226     12.61765471    -14.49978875
  H     19.33027743     10.46383271    -18.37767720
  O     19.22390337      7.42950575    -12.27207399
  H     15.54388268      6.07909882    -13.19454963
  H     18.36373572      9.49015957    -17.67004850
  O     17.60626555      7.87381570    -17.47832409
  H     14.27838382      6.92506015    -13.51486197
  H     15.59256522      8.83851963    -15.61530317
  O     15.00394290      7.21073339    -18.38229110
  H     19.70095229      6.90836702    -12.92859391
  H     15.83494124      7.59880264    -14.70910925
  O     16.25226726      7.77635331     -9.72762579
  H     18.87171938      8.22278779    -12.70574443
  H     13.96620898     11.31609152    -13.87367140
  O     13.48702047      8.35300778    -12.84407229
  H     17.25737480      7.99268221    -16.58011003
  H     15.03020385     11.15497094    -12.76464501
  O     17.96767502      9.55941300    -13.40144985
  H     16.83616904      7.63759422    -18.00903158
  H     11.82583554     10.52367381    -15.12933614
  O     17.27855908      3.61744542    -16.08135507
  H     14.58842117      6.86529731    -19.16723949
  H     13.20284600      9.97655811    -15.57122509
  O     19.16362231      5.69554222    -16.58631196
  H     14.97395601      6.50161118    -17.71239963
  H     21.25668472      5.41970368    -14.26320133
  O     15.03271764      5.30115170    -16.48453325
  H     15.84763236      7.63572284     -8.87555734
  H     19.97281125      5.76324375    -15.05285321
  O     18.09200462      4.02828921    -13.51718867
  H     17.20654876      7.89001542     -9.57388766
  H     17.66653525      6.46778639    -12.07991349
  O     18.66130313     10.41404059    -17.69924558
  H     14.22183012      8.83383144    -12.43974904
  H     16.47658955      6.43339770    -11.11519830
  O     16.27226986      8.34647321    -15.13742835
  H     13.08667073      8.96389403    -13.47391877
  H     19.18240774      7.81082341    -10.51801046
  O     14.71941293     11.75177723    -13.45696030
  H     17.36494963      9.12919457    -14.02799941
  H     19.62473006      8.68932395     -9.33518614
  O     12.68278555     10.26407425    -14.80137945
  H     18.35994202     10.30675600    -13.87273597
  H     16.10532507     12.12326552    -16.71951958
  O     20.35271068      5.70440157    -14.15793257
  H     17.33703938      2.68726672    -16.28358495
  H     16.92630091     11.21005969    -17.64955274
  O     16.84233224      5.99563471    -11.89187910
  H     17.49824903      3.70996114    -15.13706645
  H     15.86049522      9.15062071    -10.97905434
  O     18.96510521      8.05436381     -9.60282834
  H     18.70001342      6.44446742    -16.98027266
  H     16.54811121      9.71800807    -12.24418599
  O     16.02948441     11.51454968    -17.46623537
  H     18.52496588      4.97211620    -16.54741957
  H     18.03124856     12.16649713    -15.05757858
  O     15.72484692      9.73373282    -11.73492429
  H     14.85615441      5.57976775    -15.57491283
  H     18.84873604     11.20351058    -15.94025783
  O     18.79747784     11.57744655    -15.05242119
  H     15.76479634      4.67597682    -16.42326067
  H     14.89057391     10.23064390    -17.13276344
  O     14.34212031      9.49074235    -16.82383932
  H     17.58647011      4.53053500    -12.86645056
  H     14.46602147      8.74879030    -17.42736107
          69
 Ord_Energy   -248.133789    
 O    4.96832561      -2.32929850       6.71825695    
 H    5.67794418      -2.34102321       7.37875843    
 H    4.19324493      -2.79621625       7.06133747    
 O    2.08381820      -2.42940092       2.16079116    
 H    1.58240128      -2.53208780       1.35663307    
 H    1.66796458      -3.00473332       2.82764339    
 O    2.03513265       2.58646059       10.3550167    
 H    2.81397653       2.97094321       9.92025280    
 H    1.73681903       3.23692966       10.9846935    
 O   0.975111425      -3.84127736       4.19865704    
 H   0.834395587      -3.14990234       4.85899353    
 H    1.46929264      -4.53607273       4.65058804    
 O    6.80634928       1.46931672       5.45945787    
 H    7.50671482       1.87218451       4.95031834    
 H    7.19811392       1.19877160       6.30416489    
 O    2.60973597      -3.47895098       7.56304884    
 H    2.03611088      -2.84808779       7.10096598    
 H    2.55297899      -4.30994129       7.07544613    
 O    7.83687639      0.710591674       7.96207857    
 H    7.12993574      0.901170135       8.60310936    
 H    8.65545177      0.990922093       8.36529636    
 O    4.87862062      -2.89551282       2.64186382    
 H    3.96108532      -2.76557708       2.37212873    
 H    5.13076735      -2.09162188       3.11409020    
 O    3.93886375      0.160772502       7.69940948    
 H    4.21056318     -0.705528259       7.38153219    
 H    3.10693240       6.93110004E-02   8.18479824    
 O    5.70924187      0.995606780       9.63880062    
 H    5.06778431      0.746559024       8.95349884    
 H    5.66914272      0.281724989       10.2866879    
 O    2.55518699     -0.388981700       4.03647089    
 H    3.51244521     -0.429150730       4.17046309    
 H    2.35203266     -0.971787870       3.29421020    
 O    4.33170652       3.42823648       9.09453583    
 H    4.30367041       3.31660485       8.13533306    
 H    4.92477322       2.73975873       9.42183018    
 O    1.62119758      0.137038156       9.21821594    
 H   0.937830091      0.280811816       8.55237198    
 H    1.73223889      0.976003706       9.69210625    
 O    4.93734312      -4.56508875       4.85267210    
 H    5.16919994      -3.89491987       5.50352287    
 H    4.94991970      -4.10730267       3.99891472    
 O    4.26023054       2.53256845       6.37839937    
 H    5.10678053       2.39760995       5.94153309    
 H    4.06485510       1.67984664       6.80220461    
 O    3.00919127      -2.15246940       10.0353012    
 H    2.42422795      -1.39538562       9.89344501    
 H    2.84997869      -2.74929285       9.29372692    
 O    5.27192211     -0.726172566       4.47454691    
 H    5.81776571       2.20208094E-02   4.73924732    
 H    5.21536636      -1.31871200       5.23894453    
 O    5.45930910      -1.47177124       10.9592943    
 H    4.57245111      -1.73784864       10.6543121    
 H    5.56516218      -1.83329475       11.8348627    
 O    6.92340422      -2.02597570       8.56998825    
 H    6.50491858      -1.89105785       9.43091393    
 H    7.36051178      -1.19725394       8.34587288    
 O    2.61263394      -5.61809731       5.72069263    
 H    2.64986110      -6.56933355       5.76512241    
 H    3.46740675      -5.31795740       5.35977030    
 O    1.13212097      -1.70347023       6.04650354    
 H   0.565690339      -1.01902974       6.41977453    
 H    1.68564379      -1.26115906       5.38607407    
 O   -9.00768191E-02  0.626890719       7.04810429    
 H   0.501924634       1.15867805       6.48463154    
 H  -0.956686616       1.01830077       6.98535347    
 O    1.65892339       1.88820136       5.40836382    
 H    1.92887497       1.17950678       4.80710602    
 H    2.47707868       2.31849623       5.68327332    
          69
 Energy    -248.13363600188816     
  O     -2.49709517      1.17338857      3.12991604
  H     -2.76929421      1.29781616      4.05047224
  H     -3.19103529     -2.76663993      7.02418184
  O     -1.58081618      3.92368964      6.21512284
  H     -2.49666088      0.22416651      2.94402246
  H     -0.63399044     -0.63412827      6.84964729
  O      0.24680869     -0.84452301      1.66458216
  H     -1.81941004      4.76589882      6.59306695
  H     -1.96658443     -0.85587802      7.61808941
  O      3.10260991     -0.56022418      2.52107809
  H     -1.19629240      4.10671466      5.33920519
  H     -2.20055874     -3.67777952      5.13979585
  O     -2.30963694     -1.57137306      2.64457255
  H      0.33219278     -0.27874432      2.45062386
  H     -3.69778118     -3.38324082      4.91550744
  O     -1.54800223      3.08440898      1.43700936
  H     -0.66829931     -1.15191675      1.68871132
  H     -0.25592503      2.78722255      7.02250503
  O     -0.44910852      4.30145632      3.79324525
  H      3.31649026      0.32582324      2.20117145
  H     -0.19150564      1.33290601      7.52311826
  O      1.96431328      2.94458176      3.92234935
  H      2.25374414     -0.76440897      2.11808444
  H     -4.44975807     -1.07568621      6.63219278
  O      3.23545362      2.13145934      1.56276372
  H     -1.74491686     -2.10914425      3.21948172
  H     -4.34758555      0.25666589      5.87259413
  O     -0.66819065     -3.17063765      4.25853874
  H     -3.21614765     -1.82409909      2.86261781
  H     -0.72737402      1.08727984      3.70942182
  O     -4.78593852     -2.23977880      3.75568888
  H     -1.98004704      2.40995078      1.98954196
  H      0.75522393      1.55861072      3.88965603
  O     -3.31467795     -2.14082502      7.76083430
  H     -2.22621210      3.45909437      0.88002363
  H      2.25633741     -3.21291435      2.54982549
  O     -1.33019085     -0.18197887      7.35036745
  H     -0.81480748      4.01515140      2.94916241
  H      0.98918308     -2.59388299      1.95728307
  O     -3.06783000     -3.71103169      5.56767782
  H      0.45627170      3.96041116      3.82603072
  H      1.98128123      1.98335275      6.75261660
  O      0.34921698      2.11539008      7.35781749
  H      2.52822465      2.73018575      3.16859618
  H      3.47482794      2.27497468      7.02275649
  O     -4.83994353     -0.57333450      5.90553321
  H      2.41085358      2.66764888      4.73387140
  H      3.28601693     -0.68699768      4.39611949
  O      0.17530794      0.78818965      3.87008101
  H      2.37961587      2.03672607      1.10591915
  H      3.23059469      0.16472224      5.68709872
  O      1.34303760     -3.40920795      2.33803404
  H      3.84111844      2.52257083      0.93902135
  H      0.54276539      0.79526126      0.66912428
  O      2.87138055      1.95485354      6.35702045
  H     -0.21939650     -2.54577609      4.84712720
  H      0.01104651      2.23942073      0.75380599
  O      3.26420814     -0.74306949      5.36161881
  H      0.00220824     -3.47745191      3.63529789
  H     -2.60528450      2.39509037      5.98832515
  O      0.77721026      1.71420591      0.49135955
  H     -5.67211658     -2.45436977      3.47744251
  H     -2.37057530      0.90420380      6.33070684
  O     -2.93443783      1.50372220      5.81911799
  H     -4.86741215     -1.60338438      4.48876596
  H      1.56174024     -1.23260179      5.73723591
  O      0.59623114     -1.20291533      5.69863358
  H     -3.57393239     -2.65661269      8.51950588
  H      0.39813607     -0.47914014      5.08403067
          69
 Energy    -248.13324110386685     
  O     12.27069894     11.22960138    -14.74281528
  H     12.99897163     11.85621012    -14.80294637
  H     15.01461497      5.67514293    -15.02494931
  O     15.35706242      6.11058560    -13.27380479
  H     12.51682769     10.49394991    -15.32437810
  H     17.14929158     12.16803953    -17.21598878
  O     17.99803946     11.00785358    -12.14401124
  H     14.84181331      6.34038975    -12.48772982
  H     17.35581961     11.36735939    -15.91041766
  O     18.51587078     10.71565761    -14.83455385
  H     16.28928347      6.08651657    -13.02709583
  H     14.52512456      8.85499848    -14.90756064
  O     12.11016387      6.54105686    -15.81773067
  H     17.04484126     11.09292366    -12.28699974
  H     15.15740367      7.84677123    -13.90103018
  O     15.31511617      9.42543481     -8.83019678
  H     18.08577270     10.60164362    -11.27548110
  H     10.36211773     10.35345882    -12.40634942
  O     13.79972503      7.04258109    -11.20043464
  H     18.47677695      9.75784069    -14.94630608
  H     11.58797110     10.48570201    -13.34062498
  O     15.27596995     11.02669112    -12.76030847
  H     18.45153280     10.87349621    -13.88054587
  H     17.90635084      7.97512731    -10.02271524
  O     16.75024545      6.88895605    -17.39606935
  H     11.98459484      6.75524304    -14.87499897
  H     17.92315699      6.86454159    -11.10278014
  O     15.35787053      6.54223711     -8.93852814
  H     11.30364517      6.12886912    -16.11478294
  H     11.54041962      8.18105567    -13.03965646
  O     17.77633332      8.01948553    -15.06193395
  H     14.63460264      9.66396230     -9.47381169
  H     12.40474070      7.02541178    -12.50644380
  O     14.80488313      5.66334704    -15.96931915
  H     15.24243157      8.47055730     -8.71246314
  H     18.83866090      5.71824071    -13.10262302
  O     16.68133175     11.68611560    -16.53812405
  H     14.22319663      6.75526669    -10.38193014
  H     18.13838839      6.97945737    -13.65349674
  O     15.22660942      8.74330643    -14.25305032
  H     13.75261880      8.00856328    -11.15366322
  H     18.39819064     10.18163310     -8.81995536
  O     11.23101180      9.99935977    -12.57539120
  H     15.29599691     10.20190883    -13.27277893
  H     16.98755080      9.75423186     -9.28087787
  O     17.70517728      7.04335946    -10.18115711
  H     15.05285591     11.72596742    -13.38429500
  H     15.88960987     10.11389278    -17.37476052
  O     11.81118776      7.27331824    -13.22543143
  H     17.01939642      6.32399897    -18.11500103
  H     15.93952933      8.59725518    -17.71055859
  O     18.16404827      6.36318718    -12.90291575
  H     16.03674821      6.42163625    -16.92333255
  H     12.68707095      9.93280295    -11.40102724
  O     17.92263017      9.79238524     -9.54959821
  H     15.47262857      5.89195267     -8.25156171
  H     14.17487163     10.31826808    -11.54879777
  O     15.40023341      9.39366428    -17.78990152
  H     16.22364753      6.65030943     -9.37420308
  H     15.35533361     12.40049718    -15.51087234
  O     13.55347397      9.82793579    -10.98987195
  H     16.92623672      8.39493790    -14.78265844
  H     14.81735977     13.72411507    -14.92768217
  O     14.69782552     12.77744874    -14.90466549
  H     17.60284163      7.59472708    -15.91120223
  H     12.81114038      8.22271815    -16.22836991
  O     13.21877330      9.09545200    -16.18834252
  H     13.86460429      5.87158851    -16.02214781
  H     13.89034927      9.16867010    -16.88333660
          69
 Energy    -248.13309214378668     
  O     19.36461626     11.74223500     -9.57198230
  H     19.09676380     11.03977029     -8.95108327
  H     17.32032970     10.09833954    -11.48457321
  O     19.06000382      6.17391541     -9.59318452
  H     19.22544236     12.57168297     -9.12315772
  H     22.07684015     10.20347618    -10.43849487
  O     19.65390986      6.42509053    -13.54265326
  H     19.29121243      6.94985480    -10.13098963
  H     21.01842146     11.32460416    -10.46352411
  O     22.12503722      8.43209598     -9.89190851
  H     19.79755425      5.55083855     -9.67709370
  H     18.04839859      7.99395860    -16.27676796
  O     17.64236272      5.27717567    -11.89758429
  H     19.04426277      5.83952837    -13.07542691
  H     18.49228412      8.75333483    -14.99917630
  O     22.32908507      7.24484306    -13.36156707
  H     19.15186036      6.85571488    -14.24692034
  H     21.48895488      3.71320567    -10.14067270
  O     20.58459042      7.82229581     -7.61542772
  H     21.31205297      8.38332659    -10.42041729
  H     22.02553261      5.13006515    -10.40033759
  O     14.50367829      6.14579032     -8.70140756
  H     22.68632351      7.71400280    -10.20362888
  H     13.16499702      6.20994136    -13.73525949
  O     23.36787360      6.18341715    -11.11538345
  H     16.78264038      4.91473700    -11.63164090
  H     14.53230381      6.68230858    -13.18982243
  O     19.73827490      8.17598829    -11.31083531
  H     18.10194925      5.49986232    -11.07919859
  H     15.01228161      8.82923992    -10.93358300
  O     18.59782541      9.72701889     -7.95980999
  H     21.45833044      6.86504950    -13.54022433
  H     16.08678787      8.41076694    -11.95946471
  O     18.17603999     10.46885205    -11.74201418
  H     22.23272980      8.20327443    -13.42574417
  H     16.75571871      6.54793467    -12.84848423
  O     21.79480033     10.98989342    -10.92683491
  H     21.25344464      8.06933097     -8.26943124
  H     16.78716238      7.49810616    -14.08468113
  O     18.07693487      7.93299969    -15.32645659
  H     20.10727679      7.09017779     -8.01746907
  H     22.63893500     10.63340914    -13.93613382
  O     21.27095236      4.63747226    -10.04539109
  H     15.31974540      6.67050832     -8.63852344
  H     21.91230881     10.44788012    -12.58738212
  O     13.65857071      6.34475447    -12.93037658
  H     14.25398940      5.91949127     -7.80918446
  H     17.55035203      7.06682903     -9.03286464
  O     15.94098590      8.95710436    -11.17475070
  H     24.30223162      6.02749034    -11.22211403
  H     16.57405573      8.10297381     -9.67917044
  O     16.24972122      7.21574371    -13.33521145
  H     23.04114966      6.53874494    -11.96261602
  H     13.61796315      7.39441767     -9.89163147
  O     21.99153099     10.09244852    -13.49020438
  H     19.22702909      8.98090900    -11.45721231
  H     13.31934147      7.47465074    -11.39677967
  O     16.79633690      7.64520989     -8.85465323
  H     19.75862749      7.68138193    -12.13933633
  H     18.82181577     10.34153055    -13.43728385
  O     13.41611965      8.01566272    -10.60266510
  H     17.85728237      9.13748948     -8.13525256
  H     20.20696287     10.10001769    -14.07449492
  O     19.26009070     10.07174137    -14.25696333
  H     19.33295129      9.14786350     -7.71081205
  H     14.88362429      5.05935514    -10.23097914
  O     15.09552069      4.66989287    -11.08870906
  H     18.50055644     11.02006031    -11.01849173
  H     14.48825741      5.08216686    -11.71495438
          69
 Energy    -248.13298136393843     
  O     16.01529416     10.05988908    -16.75243636
  H     15.27634053     10.57399956    -16.40340076
  H     18.08962112      5.66412748    -12.65287468
  O     15.22291990      5.30419339    -13.73880738
  H     16.35624737      9.53130132    -16.01217142
  H     19.57835940      9.78366215    -16.88105183
  O     18.78701879     13.55688453    -11.56018444
  H     15.92656721      5.40221945    -13.07755278
  H     20.88968733      9.26088094    -17.52050631
  O     19.80392262      8.03216581    -14.46960515
  H     15.65269479      5.35643779    -14.59787387
  H     17.92021669      8.46292641    -14.49485944
  O     14.62945995      7.60874205    -17.25015982
  H     19.20864129     12.86043348    -11.02525789
  H     16.46954679      8.57473328    -13.89618944
  O     17.23470224     10.48192207     -9.02750698
  H     19.25971526     14.36551122    -11.38406224
  H     13.42241705     10.35964972    -15.35652382
  O     15.43221911      8.89084378    -12.44990435
  H     20.00604298      8.29533661    -15.37640514
  H     13.07782553     11.78508653    -15.85283021
  O     18.12177347     11.88565275    -13.74135639
  H     19.69974519      7.07232199    -14.45185514
  H     17.43546520      8.93246839    -10.06886606
  O     19.04988568      5.34428124    -14.38976035
  H     15.24898677      6.93619292    -16.95348148
  H     18.23511883      8.77853087    -11.37624031
  O     13.37092034      7.07258113    -12.93257745
  H     15.12876252      8.43728271    -17.26814552
  H     13.43659070      8.22243945    -15.96564918
  O     16.86451528      6.05735193    -15.99906226
  H     16.88326566     10.60768178     -8.15017313
  H     13.02608650      8.14142902    -14.47436298
  O     17.35437485      5.75981298    -12.03824624
  H     16.82399437     11.16065426     -9.59292608
  H     18.99334342     11.08373990     -9.62845161
  O     20.08318443      8.97753351    -17.09805764
  H     14.70187437      8.26105798    -12.48512900
  H     19.79086037     10.77267465    -10.90439089
  O     16.98030635      8.46286025    -14.70832368
  H     16.06979691      8.61269831    -11.77902859
  H     19.70917556      9.14893329    -13.07502600
  O     13.77706627     11.26119659    -15.47183902
  H     18.39616167     12.57477252    -13.12332051
  H     18.91706144     10.47253891    -12.89409395
  O     17.58556847      8.33343750    -10.81121566
  H     17.16799875     11.76959384    -13.62044995
  H     15.84677785     12.19710142    -11.51143207
  O     12.97986755      8.69947227    -15.25810840
  H     18.28475227      5.45194273    -14.97662996
  H     17.05406533     12.95985939    -10.94060214
  O     19.72003060     11.40565354    -10.17568160
  H     19.39115144      4.46610296    -14.54204436
  H     18.89439377      7.73463685    -17.82242767
  O     19.35313985      9.75527667    -12.41232447
  H     13.97609604      6.37602462    -13.24712218
  H     17.78714784      7.50039714    -18.85984941
  O     16.28924293     12.42997454    -10.68471025
  H     12.68939351      6.63929390    -12.42645406
  H     14.81199277     11.57213290    -13.95473445
  O     18.24807001      7.08425175    -18.13307347
  H     17.34815340      6.27256107    -16.81114315
  H     15.36547857     10.59474204    -12.89150875
  O     15.41183590     11.51244854    -13.20230984
  H     16.81031708      6.88858729    -15.49721320
  H     18.51803650     11.45180447    -15.52316802
  O     18.58789774     11.09870811    -16.41947803
  H     17.51281913      6.56372945    -11.52811937
  H     17.68548734     10.87591544    -16.68668801
          69
 Energy    -248.13289845723011     
  O     13.57692669     12.32989953    -14.16692255
  H     13.24575119     12.02772546    -13.31249092
  H     13.93751569      6.91123904    -16.96459988
  O     14.41923132      6.29757164    -13.83795520
  H     14.53533691     12.41322677    -14.09534691
  H     14.59296060      8.08838507    -14.21941351
  O     18.36119260      8.59616671    -12.04774910
  H     13.97311742      6.51835835    -13.00787842
  H     14.37126415      9.44421888    -14.98156355
  O     17.76352779     10.49484823    -15.78957865
  H     15.36339288      6.22119912    -13.64694848
  H     11.93189526     10.46514452    -12.24593941
  O     11.34174794      8.50876635    -15.73164177
  H     17.62188926      9.22156112    -12.10307875
  H     11.55475371     11.74916447    -11.46937718
  O     15.56012804      7.98321544     -8.76557045
  H     18.39184920      8.27409931    -11.13843608
  H     17.41563739      5.94403441    -10.37990967
  O     13.23531227      7.23284227    -11.52332037
  H     17.56491114      9.55798045    -15.92097292
  H     17.02039719      5.50490665    -11.80197797
  O     16.23352964     10.28655459    -12.40401617
  H     18.54321719     10.48854101    -15.21402657
  H     11.90510980      8.21473631    -12.49614964
  O     15.34281042      7.51662464    -18.11871831
  H     10.53028249      8.32454701    -16.19719789
  H     11.37805578      8.74704610    -13.85968282
  O     14.43308757      5.49984617     -9.68850404
  H     11.97558339      7.81320862    -15.98493858
  H     20.71044822      9.91780111    -13.92892249
  O     16.99438385      7.78269697    -15.86539541
  H     15.08092536      8.65816734     -9.26501435
  H     19.38332273      9.55241460    -13.24879006
  O     13.23189252      6.68488765    -16.34717617
  H     15.09428696      7.15296557     -8.92345821
  H     17.64757713      7.14621105    -12.95324692
  O     14.96159176      8.96470665    -14.38755134
  H     13.60898460      8.07309887    -11.22133199
  H     17.30543132      6.68961594    -14.37481792
  O     12.29666206     11.26273730    -11.81977788
  H     13.49632790      6.57258991    -10.86871628
  H     18.68616392      7.47793554     -8.70729262
  O     16.87462222      5.31036303    -10.86765142
  H     16.42175200     11.13943607    -12.81080852
  H     17.23392528      7.73481353     -9.17505466
  O     11.43908504      8.94726354    -12.91819118
  H     15.76018224      9.77912563    -13.08519905
  H     14.75586849     10.40609090    -17.26926582
  O     19.77898911     10.12544194    -13.92364507
  H     15.45497390      7.26244800    -19.03075435
  H     16.30082899     10.52151718    -17.26139774
  O     17.23347775      6.42483660    -13.44818671
  H     15.39681863      8.48905961    -18.08942896
  H     13.55740842     10.28658820    -10.84519680
  O     18.12825224      7.49707876     -9.48008651
  H     14.20531961      4.68509292     -9.24937219
  H     15.02462502      9.92875554    -11.13969243
  O     15.55475515     10.21047750    -17.78283850
  H     15.28441791      5.34971855    -10.13804099
  H     16.87625024     11.74175856    -14.82028658
  O     14.26697311      9.68528448    -10.58774094
  H     16.30384694      8.22047938    -15.34103908
  H     16.97906236     13.19749423    -14.32107384
  O     16.47856293     12.39174051    -14.21698481
  H     16.56724721      7.52749828    -16.69189515
  H     12.54828917      9.92203552    -16.04474605
  O     13.34939164     10.45340397    -16.11815317
  H     13.65234972      6.36708923    -15.53637311
  H     13.30096968     11.18420763    -15.48174182
          69
 Energy    -248.13277664805207     
  O     16.01165408      9.44209443    -16.29734588
  H     15.96967857      9.64603525    -17.22843279
  H     17.01446139      8.91824224    -11.44746350
  O     18.20295916      9.02635983    -12.81445128
  H     15.09650253      9.44290081    -15.96922105
  H     13.53635720      8.31580419    -12.15890694
  O     14.92700115     11.07478365    -10.54465239
  H     19.02011695      8.65860991    -12.45728391
  H     15.03762204      8.65763870    -12.15040738
  O     11.58197735      7.42386386    -15.61762737
  H     17.91575009      8.42638730    -13.51918937
  H     11.86952047      3.38663615    -12.30757628
  O     17.55686714      4.30501801    -11.40679047
  H     15.13286358     11.68367483    -11.26568526
  H     13.14755353      4.24709620    -12.25637665
  O     12.98820276      5.12911661    -15.29436391
  H     13.96628691     10.99532580    -10.54660130
  H     19.62044559      7.23165310    -10.97866371
  O     12.05510099     10.94023619    -11.02596742
  H     10.89450269      7.32808910    -16.27190076
  H     21.09926699      7.62306878    -11.22611457
  O     18.98637128      5.57246700    -13.36122565
  H     12.07452354      6.58356826    -15.60245136
  H     14.80804455      6.95152380    -13.51846674
  O     15.34496312     12.70848874    -12.84430146
  H     18.04547136      3.52279491    -11.16118738
  H     15.12275088      5.50440313    -13.11394940
  O     12.79590150     11.67702753    -13.54114840
  H     18.03260769      4.70227504    -12.15723084
  H     17.55349851     10.51545595    -13.69600148
  O     13.51103941      9.42120226    -15.15518365
  H     13.84235758      5.45822034    -14.98013843
  H     16.73439883     10.64480479    -14.99603830
  O     16.34073630      8.76248887    -10.76949972
  H     12.64050392      4.62838529    -14.54628191
  H     16.99771784      8.01269686    -15.48878247
  O     14.29725493      8.46715089    -12.73620397
  H     11.42730909     11.57404698    -10.68905183
  H     16.60745388      6.83517053    -14.56661123
  O     12.28424970      4.15525300    -12.69199778
  H     12.24476205     11.19654029    -11.94586762
  H     17.89903880      5.91659147    -10.34139285
  O     20.26029395      7.50416811    -11.66192212
  H     19.56226243      6.18325262    -12.88412981
  H     17.54666061      7.40094282    -10.08390565
  O     15.16585824      6.11769651    -13.85776693
  H     18.53757839      6.10109266    -14.03253327
  H     11.36790241      5.84912452    -12.79214768
  O     17.04063487     11.13918798    -14.22717932
  H     15.66485094     13.60635491    -12.86853598
  H     11.10122969      7.02016443    -13.76303248
  O     17.36150296      7.35995157    -14.87958780
  H     15.97416756     12.17339096    -13.36027974
  H     15.70099286      4.35437198    -11.45577777
  O     18.25200601      6.74783229    -10.00157916
  H     12.94901414     11.00666000    -14.21721428
  H     14.61512405      5.32581536    -10.91723566
  O     10.97799837      6.73053553    -12.85227789
  H     13.65186247     12.09611450    -13.37839230
  H     15.09494518      7.42455034    -10.07681651
  O     14.77233048      4.60098533    -11.54512342
  H     13.81289522      9.15386547    -14.27121476
  H     13.57517417      7.19852818    -10.09138660
  O     14.41877293      6.75701546     -9.91547510
  H     12.80839932      8.80505351    -15.39785368
  H     11.63827603      7.70631298    -11.52891508
  O     12.22640844      8.15523941    -10.90199663
  H     15.92298523      9.61239433    -10.55595572
  H     12.01629697      9.09741103    -10.88973673
          69
 Energy    -248.13261900648820     
  O     12.65215638     10.20061428    -15.73012941
  H     12.76031693     11.03822456    -15.26273337
  H     19.75222630      8.95325705    -14.17225120
  O     16.86332183      6.77944781    -13.27220773
  H     13.36098616     10.15877056    -16.38098680
  H     14.98599369     11.85265898    -16.77379480
  O     16.67058301     10.47949134    -10.89714841
  H     17.43914596      7.18432175    -12.60925580
  H     15.95141099     12.41657668    -15.72363433
  O     17.33862058     11.49876212    -14.94887190
  H     16.01103602      6.61592978    -12.84423756
  H     15.49665868      8.80069316    -15.14702492
  O     15.02756884      7.48031129    -16.45647026
  H     16.30755034     10.23646548    -10.03635005
  H     16.32197889      8.44897073    -13.90562095
  O     12.82537696      8.93979207     -9.05057079
  H     15.91005067     10.65461838    -11.46868514
  H     11.82708938      8.99264145    -14.80388754
  O     14.48517186      6.56337000    -11.89407742
  H     17.85198586     11.71230705    -14.15905418
  H     10.48976416      8.26721668    -14.52289259
  O     14.48434506     10.74024604    -12.61961004
  H     16.86363442     10.67767532    -14.74954954
  H     15.97141017      7.75179510     -9.25375184
  O     17.86750526     10.45816949    -17.40166893
  H     15.85996789      6.99436676    -16.41902608
  H     17.05949148      7.24102396    -10.20372042
  O     19.14443858      8.46554348    -15.75303526
  H     14.41354823      7.02643996    -15.85891636
  H     13.74418920      6.22059141    -13.66566354
  O     17.47573794      6.16210991    -15.84023342
  H     12.18366864      8.34804785     -8.66520431
  H     12.63629377      6.92633195    -14.46607647
  O     20.08542309      9.20175663    -13.29254722
  H     12.69650857      8.88398177    -10.01112716
  H     19.24976223     10.85545087    -12.76491948
  O     15.14074180     12.62202072    -16.21206860
  H     13.88046201      7.31435144    -11.83611613
  H     18.07032890     11.35568334    -11.89942261
  O     15.90646512      9.18828591    -14.36470297
  H     15.02195077      6.58791437    -11.08736658
  H     17.71299592      9.00725134    -11.23977622
  O     11.39407309      8.33603993    -14.22877371
  H     14.06524268     11.46917079    -13.09212103
  H     18.98867854      8.50637600    -11.96407792
  O     16.23223463      6.98473749     -9.77743991
  H     14.92318171     10.18496000    -13.28362201
  H     15.56512549      9.73755044     -7.63549759
  O     13.39846798      6.34049781    -14.55791057
  H     18.32944824     11.04208240    -17.99889363
  H     14.50188723      9.33233084     -8.68236823
  O     18.69894834     11.62713987    -12.58058242
  H     17.78090436     10.93457248    -16.55680765
  H     14.91375143      9.07420650    -17.29807116
  O     18.25573242      8.22142867    -11.40359764
  H     18.76766567      9.08331941    -16.38980868
  H     15.95199251     10.15896998    -17.58609817
  O     15.45436610      9.47401709     -8.54555074
  H     18.64687682      7.64505849    -15.85530174
  H     12.15901054      8.62713159    -12.55818068
  O     15.00316343     10.02495763    -17.46702752
  H     17.67931367      5.23842908    -15.96292615
  H     13.31871859      9.51741650    -12.03963933
  O     12.72998651      8.78697999    -11.79710699
  H     17.26889483      6.28203260    -14.89562724
  H     13.92304072     12.74190927    -14.99429600
  O     13.24382002     12.61280535    -14.30710232
  H     21.03603566      9.13332223    -13.33422231
  H     12.76759135     13.43458054    -14.22939625
          69
 Energy    -248.13250498666011     
  O     20.94535022     11.15944886    -16.97053693
  H     21.50704353     11.80683637    -16.50909284
  H     14.31596784     12.70056021    -13.60644931
  O     21.94479025     13.88319860    -12.98731709
  H     21.51850017     10.44391076    -17.23464052
  H     22.42992766     16.18003567    -14.96940238
  O     15.44066129     15.34602523    -14.75853541
  H     21.96759927     14.79885859    -13.32323121
  H     21.14102285     16.76779715    -14.33512167
  O     16.86379203     11.88420595    -17.22012570
  H     22.47427131     13.86462899    -12.19559401
  H     17.90191922     13.96559665    -13.10262626
  O     15.48348208     12.07980796    -12.19903694
  H     15.53053028     16.27680984    -14.55161479
  H     16.54709457     13.56888753    -12.44223490
  O     14.49096369     10.88275286    -16.11194869
  H     16.01585291     14.89875639    -14.11721078
  H     17.21283949     10.39122899    -14.39085109
  O     22.51539900     12.92952967    -15.63944247
  H     16.01307355     11.49537300    -16.98414103
  H     15.71025970     10.28710612    -14.73065577
  O     23.23734784     15.50850426    -16.57677847
  H     17.48572062     11.62578866    -16.52460553
  H     17.23436090     15.90638690    -18.42218490
  O     19.37160788     13.37568466    -13.88327852
  H     15.83068329     11.38388064    -12.78637835
  H     18.29266678     15.90779784    -19.52966843
  O     19.12466847     12.28015879    -18.88202333
  H     15.18934986     11.64634455    -11.40251440
  H     18.69289902     17.30125736    -14.21583322
  O     21.09397442     15.75055841    -18.17938713
  H     14.21359398     11.64442645    -15.57204144
  H     19.30338774     16.39496117    -15.31406458
  O     13.92017691     12.95919771    -14.44839833
  H     13.69554946     10.47021145    -16.43719208
  H     18.89374643     17.61495901    -18.07872590
  O     21.97359078     16.32229047    -14.13076811
  H     22.37517904     13.11599981    -14.70402755
  H     19.50035105     17.97073005    -16.68838973
  O     17.06667685     14.31753521    -12.76011062
  H     22.84333021     13.75494751    -16.01766697
  H     17.25884896     16.15485136    -12.73508864
  O     16.33993260     10.24974020    -14.00023150
  H     22.51198296     15.60743227    -17.21915690
  H     17.18996609     17.57318052    -12.14309101
  O     17.74267162     16.49405669    -18.99684953
  H     24.01255643     15.89416941    -16.97591643
  H     19.47353619     10.95750552    -15.83178643
  O     19.40008792     17.25027152    -14.86967340
  H     20.22961189     13.48648236    -13.45646173
  H     18.92331523     11.83574664    -14.68990406
  O     19.66956959     17.99544383    -17.63756674
  H     19.40484307     13.86339340    -14.72283341
  H     18.41645698     14.75348532    -16.60297262
  O     17.30349746     17.09684938    -12.96263001
  H     18.27285818     12.09862634    -18.46598593
  H     19.92803277     15.00788157    -16.88910042
  O     18.70528241     11.08533335    -15.26188201
  H     19.79302920     11.92894597    -18.28124406
  H     19.39206524     13.74037673    -19.77519537
  O     19.29284734     14.79337954    -16.19643444
  H     20.69039141     15.35693421    -18.96184985
  H     19.65699683     14.40613628    -21.14588151
  O     19.57782140     14.58995551    -20.21392603
  H     20.67863667     16.61804717    -18.03910387
  H     16.66472943     13.68362119    -17.23290036
  O     16.69486847     14.64756029    -17.16186719
  H     14.25117136     13.84646059    -14.63321503
  H     16.17545250     14.90072529    -16.38877341
          69
 Energy    -248.13233356846609     
  O     14.14913913      9.00036512     -9.32047034
  H     13.76485051      9.45909027     -8.57901669
  H     13.35553942      6.45568508    -16.48575016
  O     16.35840291      5.46439388    -12.82469933
  H     14.95677170      9.48921190     -9.56885938
  H     19.10127076      7.45594054    -16.33418178
  O     15.58434615     11.95044892    -12.29488823
  H     16.53839738      5.13279813    -13.71427042
  H     18.43801138      8.05655484    -15.07639936
  O     17.29034162     11.70813431    -14.62131921
  H     16.17221181      6.40878747    -12.92922624
  H     14.33792681     10.95737489    -15.03502304
  O     10.80063116      7.72496413    -14.92258123
  H     16.20749138     11.96312648    -13.02935413
  H     15.17005734     10.03040562    -15.98183831
  O     17.70488121      6.59528441    -10.61440319
  H     14.72015876     11.76694521    -12.68430828
  H     16.77330664      8.60792269    -13.26013105
  O     12.75841898      6.43395265    -13.34480632
  H     16.48171719     11.49751802    -15.11876235
  H     15.68222776      8.23239995    -14.26844349
  O     13.23110215     10.96110963    -13.59015377
  H     17.65329360     12.49917417    -15.01283347
  H     14.79138693      7.22858758     -9.30457479
  O     12.49674567     10.09335840    -17.15746584
  H     11.34517166      7.20299560    -14.31919273
  H     14.69353839      5.85622573    -10.00989087
  O     16.66233022      5.02994108    -15.52026584
  H     11.11489268      7.51310400    -15.81006879
  H     14.91701252      4.88938630    -11.97710781
  O     15.65441296      8.35722997    -16.12612130
  H     16.91734568      6.54938322    -10.05203670
  H     14.04985827      3.78613286    -11.32839079
  O     14.02916090      6.16612062    -15.85587923
  H     17.48258358      6.05711846    -11.38278935
  H     18.14885899     10.17388883    -13.98466696
  O     18.28718906      7.47052829    -15.83649637
  H     12.95706802      7.26458350    -12.88700889
  H     18.69544230      9.29242338    -12.79952337
  O     14.92516265     10.95353751    -15.80635337
  H     13.04642894      5.73723650    -12.74304410
  H     19.51261944      9.13898045    -10.39955594
  O     15.90838964      8.18866102    -13.33059727
  H     13.29846453     10.18696550    -13.01135341
  H     18.42364500      8.13071557    -10.83835818
  O     15.22520126      6.37067872     -9.39268544
  H     12.34960232     10.92379298    -13.98000330
  H     11.72948453      7.23772775    -18.32545930
  O     14.07025562      4.71903408    -11.52785722
  H     13.32978516     10.50164229    -16.89794031
  H     12.29424639      8.36367087    -17.42803098
  O     18.45454774      9.29077551    -13.73654176
  H     11.86314373     10.33030618    -16.46744344
  H     16.07660841     10.94073008    -10.89296552
  O     18.77740047      9.02640826    -10.99627186
  H     15.76663149      5.30865170    -15.75438572
  H     17.16146010      9.92901913    -10.43458245
  O     12.10249131      7.40967883    -17.46493458
  H     17.24211939      5.78140700    -15.69135982
  H      9.90103221     10.77248956    -14.80579599
  O     16.31431913     10.31499263    -10.19210389
  H     15.08005271      7.57863583    -16.13486417
  H     10.73943695      9.47177282    -14.82800223
  O     10.79086868     10.44241009    -14.89516939
  H     16.56960388      8.05750738    -16.19976510
  H     13.65175539      8.81289900    -11.07266068
  O     13.57598177      8.72001700    -12.02989378
  H     13.62291646      6.20326054    -14.97837209
  H     14.47114876      8.57226417    -12.37558135
          69
 Energy    -248.13229485090835     
  O      5.67062118     -4.52432763     -0.71307432
  H      6.55344623     -4.20783399     -0.48409124
  H      5.74340767     -6.95730118     -2.41237982
  O     10.52551618     -4.22676517     -4.35335395
  H      5.75976543     -5.47555898     -0.85173783
  H     10.51313342     -2.66616291     -1.65926947
  O      5.09916292     -6.23031510     -3.86529397
  H     11.40095406     -4.54640556     -4.10454406
  H     12.02810373     -2.51001439     -1.57111535
  O     10.71989219     -2.23982272     -6.28098526
  H      9.97367832     -5.01519710     -4.42754996
  H     13.70593760     -4.28757215     -4.39900323
  O      9.17905206     -6.66801888     -4.24862090
  H      4.76339823     -5.35035012     -3.65611085
  H     13.70330139     -2.76388637     -4.15713394
  O      7.13954372     -5.60791293     -5.68346583
  H      5.71288269     -6.10987432     -4.60234853
  H      8.17687712     -4.98492888     -8.96562960
  O      8.78887884     -6.43043507     -1.51411785
  H     10.62335304     -2.96035038     -5.63825640
  H      8.33744062     -3.98723592     -7.79512126
  O      6.80257824     -3.04470303     -4.57476179
  H     11.47833214     -2.48955609     -6.82078423
  H      7.55918381     -2.42516297     -6.26449787
  O     13.11578598     -1.52969443     -2.81232527
  H      9.96556934     -7.15128774     -4.53054899
  H      8.97899146     -2.20082190     -6.84350468
  O     11.56215832     -7.58569425     -5.39274919
  H      9.12457923     -6.67012556     -3.28295665
  H     10.70640932     -6.12373645     -1.25231143
  O      8.39850595     -3.79740022     -0.52135966
  H      7.50192968     -5.46679169     -6.56520954
  H     11.50139954     -4.79987450     -1.13259402
  O      6.10158989     -7.24023490     -1.55173034
  H      7.82645166     -6.07039403     -5.17830453
  H     10.27991520     -5.47052380     -7.62117096
  O     11.27666984     -2.93547660     -1.13759598
  H      8.66275778     -5.53672118     -1.16903494
  H     11.75262849     -5.02401136     -7.41648147
  O     13.89093531     -3.43598004     -4.82198905
  H      7.91735388     -6.84674577     -1.47529359
  H     12.52634412     -6.44535798     -4.22552401
  O      8.49847481     -4.90760982     -8.07079446
  H      5.97482114     -3.08264116     -4.07960409
  H     12.50485137     -5.82392688     -2.79173879
  O      8.06679338     -2.41945830     -7.08446771
  H      6.93530859     -3.92985083     -4.94540165
  H     10.05757267     -1.01227040     -3.57411331
  O     11.59593412     -5.75391102     -1.26522532
  H     13.67661842     -0.80977193     -2.53362972
  H     10.84001473     -1.01423456     -4.89137143
  O     11.15606445     -5.78057718     -7.36273436
  H     12.33917921     -1.12880164     -3.24148804
  H      9.57207612     -3.14275970     -3.37081661
  O     12.84877672     -5.71009845     -3.69129458
  H     11.43348916     -6.97112113     -6.13954302
  H      8.13698892     -2.58917101     -3.44978807
  O     10.83246339     -0.63200370     -4.00190087
  H     11.86979713     -8.40946499     -5.76029683
  H      4.90936140     -3.82633170     -2.12796930
  O      8.94656134     -2.55099396     -2.92082577
  H      9.18401449     -3.55825816     -0.02714458
  H      3.71149400     -3.11079108     -2.79735825
  O      4.54011747     -3.54388782     -2.98376097
  H      8.46595108     -3.32121027     -1.36427747
  H     13.34210619     -3.48690272     -6.46652391
  O     12.95306837     -3.52903259     -7.35967434
  H      5.62743750     -8.02881308     -1.30201100
  H     13.66220873     -3.36569153     -7.97520017
          69
 Energy    -248.13207595012284     
  O     17.55691593     11.07081003    -14.60377314
  H     16.87662555     11.73380232    -14.44108287
  H     11.29181717      8.83174814     -9.99791328
  O     14.94659626      6.71091838    -11.60689186
  H     17.83220165     10.75093726    -13.73360194
  H     14.75521311     12.27050518    -10.88137676
  O     12.04320405      8.61725703    -13.56861094
  H     14.00634826      6.62061614    -11.40869707
  H     16.27112821     12.48093328    -10.70971547
  O     13.56095710     10.93911503    -10.41949651
  H     15.05722249      6.33537447    -12.48993337
  H     15.19811279      8.46150755    -11.84394775
  O     18.96780998      7.32591401    -12.20207357
  H     12.67150094      9.33227291    -13.75257579
  H     14.77744231      9.89635869    -11.37864186
  O     12.86258122      6.99234204    -15.71297020
  H     12.14369078      8.00090736    -14.30513634
  H     17.43108592      9.69005817    -15.64874697
  O     14.01718758     10.48055729    -14.14574145
  H     13.57739597     10.52854951     -9.54443959
  H     17.99993017      8.94922157    -16.88039804
  O     16.30357175      9.35429580     -8.58985399
  H     12.69115851     10.76392454    -10.79773821
  H     12.54038423      4.86902285    -12.31946879
  O     14.79608701      5.57377900    -14.17530620
  H     19.78893508      6.85385226    -12.30803019
  H     12.85673533      3.37622319    -12.14599810
  O     13.69019051      9.47971270     -8.04159591
  H     18.39749580      7.06494307    -12.94834723
  H     16.54000459      6.25692808    -14.35433740
  O     17.17549424      7.11234554     -9.95672799
  H     12.42960007      6.57643547    -16.45342565
  H     17.33506756      7.43740990    -14.97289837
  O     11.60333269      8.10711825     -9.44158334
  H     13.45768090      7.67579663    -16.07401460
  H     10.24845735     10.56545113    -11.67882853
  O     15.50259577     12.79470139    -11.20088956
  H     14.55517052     10.04024077    -13.46801691
  H     11.28983562      9.56998375    -12.23279621
  O     15.31777265      9.40586711    -12.01138794
  H     14.34021468     11.38801441    -14.17651453
  H     11.91713453      6.94553839    -10.75965523
  O     17.34779659      8.88289923    -16.18768047
  H     16.66074059      8.56133466     -9.01723888
  H     12.11212085      7.20096465    -12.27802054
  O     12.91431544      4.09536402    -12.77065941
  H     16.78547797     10.10659212     -8.94740589
  H     17.93522370     10.99345502    -10.66452284
  O     17.37033740      6.74545736    -14.30096762
  H     14.24703901      4.90197319    -13.74465051
  H     18.53070543     11.89599338     -9.55902009
  O     11.05311651     10.10329049    -11.45661665
  H     14.19019949      6.07292151    -14.73710722
  H     14.35680527      9.57914822    -15.71404758
  O     12.16772692      6.52181566    -11.59408259
  H     14.64781294      9.37387291     -8.19426025
  H     15.50192664      8.87733743    -16.46329573
  O     17.71118233     11.53515469     -9.88793622
  H     13.58568939      9.69825732     -7.11948628
  H     15.35461501     13.80066660    -14.18863225
  O     14.54086295      8.95268153    -16.42809678
  H     16.38220311      6.83577709    -10.43591774
  H     15.48115296     12.90350449    -12.93583565
  O     15.43475372     12.89292708    -13.90898861
  H     17.87244275      7.13448552    -10.62184920
  H     17.05405656      9.74471296    -12.05951233
  O     18.00503890      9.94346933    -12.08064891
  H     12.32044082      8.47227488     -8.90827497
  H     18.46277571      9.09424731    -12.10518127
          69
 Ord_Energy   -248.132034    
 O   -6.23520851       5.95890808       2.99006248    
 H   -7.00271463       6.43494272       2.68357468    
 H   -5.49640989       6.21550608       2.41226554    
 O  -0.400982618       4.81807804      -7.23891780E-02
 H  -0.292426467       5.48028183      0.626389623    
 H  -0.803461492       4.04285860      0.342490345    
 O   0.326541930       1.66061175       6.02537346    
 H   0.456423283       1.44320667       6.94412899    
 H  -0.622255147       1.85535014       5.91185713    
 O   -2.46054983      0.598205984       3.07976270    
 H   -2.19860268       1.23195195       2.40158033    
 H   -1.63572454      0.159347877       3.33712792    
 O   0.136318579      -9.06393304E-02   3.72951150    
 H   0.299529493      0.375646681       4.55880880    
 H   0.594077110      0.420144588       3.05006552    
 O   -5.58456039       3.26212072       3.55674934    
 H   -5.40410328       3.23689437       4.50625944    
 H   -5.95500326       4.13239288       3.35845923    
 O    3.38479094E-02   6.56446600       2.07058811    
 H   0.978128195       6.35648584       2.11157274    
 H  -0.351112455       6.13332272       2.84875965    
 O   -2.49534988       7.45857191       4.84096718    
 H   -2.38138437       7.92246771       4.00567913    
 H   -1.85753751       6.73100376       4.82116508    
 O   -3.03889775       4.21379519       2.80237103    
 H   -3.30305815       5.04128456       2.37868381    
 H   -3.84935236       3.79605937       3.11656523    
 O   -4.81393957       6.10806561       5.50656796    
 H   -5.36495447       6.18849659       4.72086859    
 H   -4.02371264       6.64299154       5.34060955    
 O   -4.00249243       6.49503899       1.49509740    
 H   -3.79451013       6.09113932      0.638221085    
 H   -3.38081932       7.21649408       1.65190279    
 O   0.981993079       1.89142835       1.81689954    
 H    1.52517223       2.35695100       1.16963983    
 H    6.31797090E-02   2.05387688       1.56073010    
 O  -0.907655060       5.21876574       4.28236485    
 H  -0.162810758       4.60570717       4.32751465    
 H   -1.66850603       4.72843218       3.94176435    
 O    2.49235845       5.38299894       2.35356808    
 H    2.23951578       4.79220772       3.07591701    
 H    2.58608842       4.82172680       1.57519615    
 O   -4.67123508       3.50908422       6.18811798    
 H   -5.07873011       3.37765956       7.04010296    
 H   -4.67027855       4.47003317       6.02253437    
 O   -2.01124334       8.37770939       2.09314251    
 H   -1.20801485       7.83441210       2.02033210    
 H   -1.76682007       9.26460171       1.84115839    
 O    2.16299129       3.72036099      -9.73740965E-03
 H    1.30830324       4.14946985     -0.178039908    
 H    2.63806629       3.71846914     -0.837082446    
 O   -3.80402970       2.27761698     -0.554302871    
 H   -4.04771996       1.72880864      -1.29505539    
 H   -4.27797270       1.92633653      0.221856207    
 O   -1.64633441       2.59170556       1.15026295    
 H   -2.10379267       3.18425083       1.77082849    
 H   -2.28262568       2.37406635      0.455580205    
 O   -2.28473568       2.09778690       5.49605036    
 H   -3.07626104       2.58071494       5.75636387    
 H   -2.50060344       1.59153008       4.70237017    
 O   -3.20888138       5.11415768     -0.722889245    
 H   -3.49144244       4.19149160     -0.738467216    
 H   -2.24418831       5.10482836     -0.723520458    
 O   -4.85856390       1.28078318       1.73005545    
 H   -5.26240206       1.91179490       2.34146786    
 H   -4.18195009      0.818768859       2.24138832    
 O    1.26684427       3.47251058       4.12253904    
 H    1.08857012       2.89268780       4.87458563    
 H    1.18366182       2.91650820       3.33524919    
          69
 Energy    -248.13195734919981     
  O      1.11544486      2.50844515      2.72555026
  H      1.73831377      3.12256976      3.10562026
  H     -3.40925261      0.29375397      4.80530404
  O     -0.30898688     -3.89747911     -1.77670069
  H      0.55616982      2.18634806      3.45449270
  H     -4.86708975      2.33797792     -0.24444370
  O     -0.54317442      1.33408968      4.57019619
  H      0.04703224     -4.30408535     -0.97772510
  H     -5.13932851      2.45719352     -1.76192358
  O     -2.10819139     -2.09610734     -0.58507569
  H     -1.07678047     -3.38488784     -1.48652154
  H     -2.65687464      2.17133048     -1.24436258
  O      0.83422151     -4.56932851      0.80546231
  H     -1.48347673      1.48930526      4.70341147
  H     -1.26506175      1.46854460     -1.25143879
  O      2.28174047     -2.33664509      0.25194947
  H     -0.47692091      0.42513301      4.25114191
  H     -3.62311497     -0.11240822      0.72548911
  O     -5.35262705      2.76494940      1.36467272
  H     -1.46036240     -1.39094535     -0.72877630
  H     -4.46384421      0.27648299     -0.50365426
  O     -2.89902534     -1.43030231      4.97142429
  H     -2.96274296     -1.65551374     -0.49049393
  H     -2.11960345      1.44053337      1.68137528
  O     -1.33892016      3.06810433      1.41088675
  H      1.41577174     -5.29147156      1.02746865
  H     -3.01917165      0.80892223      2.77003636
  O      1.42372560     -1.90440684     -2.44711231
  H      1.39875350     -3.78768649      0.66492138
  H     -0.74343408     -3.94475376      1.53283448
  O     -6.17242731      0.93392642      3.44968393
  H      2.16073886     -2.16549408     -0.69056611
  H     -1.78610216     -2.96711392      0.93441456
  O     -3.58653266      1.19484358      4.49176225
  H      2.07846214     -1.50475128      0.69802235
  H      0.61232992     -0.44211264      2.01642181
  O     -4.58335491      2.02096852     -1.12211007
  H     -4.73063858      3.27776479      1.90029962
  H      1.34039129      0.89643383      1.77226533
  O     -1.70713803      2.32297212     -1.16485334
  H     -5.76216298      2.14757029      1.97982108
  H     -3.41955481      3.11537269      3.74467653
  O     -4.21787931     -0.47531954      0.04858043
  H     -2.03833370     -1.42057787      4.53756932
  H     -2.65907530      3.68832875      2.53159747
  O     -2.54084528      0.61380962      1.95334836
  H     -3.38412946     -2.13113920      4.51901659
  H      0.36564159     -0.58079018     -1.62542312
  O     -1.53001746     -3.42830384      1.74884205
  H     -0.42477182      2.99568704      1.70386063
  H      0.27533536      0.01655256     -0.19855719
  O      1.20571483      0.01486308      1.40452501
  H     -1.37551540      2.94664844      0.44908446
  H     -0.90716208     -1.98992720      2.68836196
  O     -3.43774068      3.82245729      3.09248497
  H      0.82064703     -2.65959619     -2.32552528
  H     -1.38302822     -0.51564548      2.63067613
  O     -0.21717796     -0.10184412     -1.02242179
  H      1.79436573     -1.98214377     -3.32175774
  H     -3.07795117     -3.53129682      2.69415140
  O     -0.74790416     -1.11359159      3.06267904
  H     -6.04999079      0.05818529      3.04105185
  H     -4.17892287     -4.35339176      3.39555923
  O     -3.89685093     -3.46038002      3.21033382
  H     -7.04694797      0.94268283      3.82965738
  H     -5.28457046     -1.17095495      1.37284261
  O     -5.66834483     -1.42394616      2.22448921
  H     -4.52360126      1.20966446      4.24928406
  H     -5.12994442     -2.15135033      2.55486151
          69
 Energy    -248.13192762095548     
  O     -1.62173156      4.41351598      2.45010964
  H     -2.38194397      4.19370090      1.89569319
  H     -0.29873096      1.04834521      2.23671989
  O     -2.89126483      6.27568933     -0.71055075
  H     -0.85914514      4.51275913      1.85632831
  H     -0.17417446      3.83312164     -2.29555057
  O      2.61713190      6.51052799      1.08564818
  H     -3.05015305      5.48149102     -0.18311937
  H      0.90172151      2.71986285     -2.38244898
  O     -0.42416549      5.40892993     -1.64548007
  H     -3.33460846      6.10036978     -1.55405489
  H      1.60601167      7.77573754     -1.78697160
  O      2.01896938      2.26007655      0.94458897
  H      2.47526356      6.51367196      2.04358178
  H      0.87368716      6.55742080     -2.34803904
  O      0.56939025      4.65362388      0.80634938
  H      2.26118087      7.33539730      0.72857599
  H     -3.36653711      1.88356628     -3.12455864
  O     -1.11062369      7.93654482      0.79621642
  H     -1.29491569      5.77461722     -1.45120859
  H     -3.10167160      1.36672000     -1.70566897
  O     -1.68682668      1.83084965     -0.54028667
  H     -0.03185274      5.19076185     -0.78649516
  H      2.30512490      2.93470145      2.64625996
  O     -0.99037662      6.84352727      3.48137537
  H      2.32644125      2.28182085      0.02884938
  H      3.06082098      3.01554359      3.98797543
  O     -3.42157818      3.75906106      0.49050121
  H      1.35202046      1.56454062      1.02056132
  H     -4.64489211      4.54975413     -2.46937463
  O      1.32550639      8.70809200     -0.10163927
  H      1.02828014      3.80523347      0.80487981
  H     -3.42428158      4.51632534     -3.40122843
  O     -0.14359590      0.52849435      1.42650787
  H      1.24241403      5.33666964      0.93720267
  H     -1.44359150      2.97079785     -3.68778659
  O     -0.03150910      2.90169681     -2.53700473
  H     -1.12237993      7.61414214      1.70446022
  H     -2.06866380      3.10951789     -5.09033491
  O      1.65996615      7.10532753     -2.47900645
  H     -1.79343056      7.45728573      0.31038531
  H     -0.92944192      2.92253144      3.29875201
  O     -3.78743717      1.42689394     -2.38461049
  H     -1.18789083      1.32402468      0.11039270
  H      0.48415293      2.51514949      3.75675123
  O      2.24228227      3.25719907      3.55932611
  H     -1.06145430      2.16200704     -1.19935735
  H      2.93752221      3.56118143     -1.61882359
  O     -4.02402359      5.11682705     -2.94419398
  H     -1.54471292      7.14146612      4.19871606
  H      3.39425090      2.22777963     -2.25853325
  O     -2.28451544      3.07283158     -4.16123974
  H     -1.32093435      5.96847326      3.21535334
  H      0.88086865      6.39268477      3.69085587
  O     -0.39228400      2.16170895      3.56012416
  H     -2.79948244      3.10576149      0.13630735
  H      1.85469337      5.18410941      3.71602740
  O      2.69357168      2.62404711     -1.74772688
  H     -4.24997871      3.62612793      0.01456167
  H     -4.99732771      2.51342174     -1.72280474
  O      1.81423990      6.14725614      3.67814786
  H      1.39769493      9.65428343     -0.00988166
  H     -6.43032303      2.96400916     -1.34656145
  O     -5.51747969      3.23765698     -1.33028680
  H      0.42532627      8.46816199      0.18329849
  H      2.83923849      5.83952680     -1.87000450
  O      3.29682728      5.19029868     -1.31614238
  H     -0.20998110     -0.39128206      1.66858951
  H      3.26812284      5.56563175     -0.42743890
          69
 Energy    -248.13135528273594     
  O     11.77713693     10.47244026    -13.90887358
  H     12.07013293      9.96323501    -14.67706807
  H     18.02121910      7.73836072    -16.45324051
  O     15.08146603      7.64266209    -15.73711776
  H     12.55916110     10.94668154    -13.61235381
  H     18.55292274      6.54448202    -14.50011111
  O     16.23092927      9.28218239     -9.45468688
  H     15.46688187      7.88653980    -14.88103520
  H     19.04646327      8.00916434    -14.50248351
  O     17.36529025     11.84083144    -14.04468862
  H     15.80455458      7.68418124    -16.37263670
  H     15.50796008     11.56223006    -13.61427873
  O     12.68956899      8.92270733    -16.15746259
  H     15.58923961      9.40282174    -10.17503359
  H     14.36883608     11.30959311    -14.60082160
  O     14.12774299      5.13330865    -10.34677878
  H     15.98938640      9.89631106     -8.76588187
  H     15.70979992      8.57399339    -12.66032191
  O     13.40728513      5.80488136    -14.49311720
  H     17.75761133     12.70607967    -14.13064332
  H     17.09668387      8.66041402    -13.36998380
  O     14.52163191      9.44918417    -11.57479663
  H     17.25172702     11.49163526    -14.94878594
  H     10.89453585      9.00439477    -13.20922205
  O     16.87143905     10.79212583    -16.48288052
  H     13.53909175      8.47179841    -16.02870922
  H     11.37298052      7.72427422    -12.50426596
  O     15.14026417      4.20756554    -12.89065612
  H     12.00817365      8.24681585    -16.06538305
  H     19.44659375      5.39826665    -10.64571713
  O     18.72000968      9.45990457    -13.36305323
  H     13.75910918      4.58603664     -9.65871235
  H     18.33043434      5.84513092    -11.61853406
  O     17.44710542      8.06419735    -17.16996639
  H     14.90638852      5.57782995     -9.96605997
  H     10.71725582      7.26073230    -14.55463788
  O     18.93447584      7.22855115    -15.06394262
  H     14.04238720      6.31945625    -15.01109935
  H     10.10865659      6.46216757    -15.73424678
  O     14.57028720     11.33502138    -13.65682230
  H     12.53566855      5.98977682    -14.86306734
  H     17.96463312      9.09060631    -10.23255383
  O     16.26165068      8.17379496    -13.34020473
  H     14.42176313     10.11021237    -12.27276932
  H     18.86564831      7.91621133    -10.66313430
  O     10.64498626      8.08683644    -13.02597644
  H     13.89964483      8.72232492    -11.72858721
  H     16.73814608      5.03234618    -13.10008008
  O     18.73281104      6.02175320    -10.75078856
  H     15.92409259     10.90483606    -16.63217642
  H     16.99297413      6.54974287    -13.16946114
  O     10.91971663      6.84627399    -15.41376701
  H     17.09391952      9.89466611    -16.75685135
  H     16.24830408      7.39634110     -9.30957734
  O     18.77771223      8.87712361    -10.70604038
  H     14.50305470      4.59346522    -13.50574785
  H     17.14158367      6.22521056     -9.76847008
  O     17.44450008      5.69273051    -13.13707640
  H     14.80250504      4.40735614    -12.00903331
  H     13.51065475     10.44909184    -16.51406683
  O     16.28190480      6.43500715     -9.38293024
  H     18.38573480     10.35095656    -13.51833535
  H     13.54511491     11.94229194    -16.90434405
  O     14.06235449     11.24855333    -16.50158764
  H     18.83939600      9.34206265    -12.40697381
  H     13.35771139      6.46722654    -11.35582778
  O     13.08767145      7.12103404    -12.01331586
  H     17.83806847      7.77114936    -17.98848422
  H     13.23883390      6.70922756    -12.87513544
          69
 Energy    -248.13124148007051     
  O     12.18633963     10.99559468    -15.15887335
  H     12.82075222     11.71786732    -15.09845481
  H     14.64496292      5.99357422    -15.69278110
  O     15.92920874      7.06615137    -13.02920951
  H     12.62857817     10.29923305    -15.66528878
  H     19.70884864      8.46663693    -13.96087246
  O     17.10246074     10.68017479    -11.05360948
  H     15.83328235      7.86522403    -13.57082835
  H     19.73731132      9.62853416    -12.94764666
  O     18.00709886     10.74056250    -15.27732042
  H     16.63045420      7.25558610    -12.39392909
  H     16.80884075     11.54604841    -16.40688191
  O     12.78227313      6.41958698    -15.83150181
  H     17.25573182      9.72521839    -11.09883483
  H     15.41037227     12.18082911    -16.28897392
  O     15.00072531     10.02549540     -9.11629794
  H     16.33859323     10.89230994    -11.61111990
  H     14.99663404      9.24078743    -15.18499658
  O     13.73844718      7.20894030    -11.35406394
  H     18.58353300     10.01462841    -15.55149618
  H     16.44543787      9.76505609    -14.87148290
  O     14.90589831     11.21455583    -12.66852772
  H     18.36630817     11.08713210    -14.45155854
  H     10.00427983     10.18367614    -13.04131152
  O     17.25220936      7.61423373    -17.05817919
  H     12.43279218      6.66665129    -14.95582512
  H     11.34238045     10.33474001    -13.80380749
  O     14.91154818      7.27794313     -8.83867168
  H     12.16552461      5.79712889    -16.20667963
  H     12.42853973      7.09080882    -12.65797799
  O     19.48541197      8.43538101    -15.84568162
  H     15.75719577     10.37691510     -9.59804751
  H     11.45872362      8.09291785    -13.31716645
  O     15.60253172      5.94898027    -15.59061459
  H     14.23775666     10.13230149     -9.70057475
  H     19.61002501     12.19867088    -12.44870955
  O     19.79200535      8.66757284    -13.02007380
  H     14.08491510      7.09114327    -10.45936300
  H     18.42879799     11.26576887    -12.09765222
  O     16.02092417     11.78028193    -16.91825500
  H     14.48606726      7.09214944    -11.95815066
  H     18.18754306      7.46263942    -10.49807617
  O     15.65407469      9.36759828    -14.48840404
  H     14.18944392     10.84770537    -12.13237374
  H     18.62631295      8.11213244    -11.84543607
  O     10.91872535      9.91455446    -13.03357613
  H     15.14383338     10.53003843    -13.31535234
  H     15.53723353      9.73293902    -19.31591987
  O     11.85623319      7.22148464    -13.42618823
  H     16.68769642      8.20819056    -17.56273319
  H     15.71083112     10.38809547    -17.92431738
  O     19.10787552     11.45308916    -12.76736221
  H     16.67325920      6.99158079    -16.59296868
  H     13.27103837      8.96396749    -11.22347664
  O     17.87386514      7.96658461    -11.24480738
  H     14.99628618      8.24622293     -8.84305801
  H     12.20856668      9.98507773    -11.68797838
  O     15.54202128      9.54404266    -18.38155428
  H     14.64236096      7.04399914     -7.95373093
  H     14.56633767     12.37636885    -13.99471160
  O     13.01408387      9.89684841    -11.16370978
  H     18.69507998      8.06561586    -16.28199832
  H     14.29162229     13.77857644    -14.58129178
  O     14.34594112     12.85416688    -14.81188446
  H     20.22674376      8.23128368    -16.40919808
  H     14.19273171      9.08385620    -17.21100944
  O     13.65744967      9.00004795    -16.41186401
  H     15.77268598      6.14345788    -14.65921284
  H     13.35432174      8.08628352    -16.33101532
          69
 Energy    -248.13116803129390     
  O     -2.32463339      4.50407215      4.48763628
  H     -2.22396057      4.63742828      3.53662627
  H     -3.90467658      4.08583937      5.02867367
  O      0.78236269      1.82977089      0.33255973
  H     -1.71717730      3.78204266      4.69606323
  H     -2.53878346      4.17247908      0.11118554
  O     -1.31532459     -0.00699814      3.25541783
  H      0.23375254      2.08809029     -0.41755423
  H     -3.87049583      3.65140941     -0.46461759
  O     -4.25727664      0.38276390      0.02228666
  H      0.63546749      0.88405485      0.46111855
  H     -5.44810395      2.95965287      3.74294513
  O     -2.60813190     -2.94243311     -1.07886575
  H     -1.82712838     -0.82020010      3.34018584
  H     -5.84373201      1.55822810      3.17924389
  O     -0.14972691     -0.77748501      0.87862734
  H     -1.93222016      0.65956019      2.90964651
  H     -0.81283823      4.03905829      1.95923299
  O     -4.05974781     -1.13414698      5.55065056
  H     -4.70886916      1.20723403     -0.19106183
  H     -2.16661864      3.29702052      1.88291885
  O     -5.98640888     -0.13870981      3.62387943
  H     -3.50120497      0.24961448     -0.56641697
  H     -6.40538961      3.19999554     -0.13633052
  O     -1.87669821     -0.16059329     -1.24872573
  H     -2.09687238     -3.14451816     -0.28524697
  H     -5.61871347      2.81898328      1.13447520
  O     -5.08391957     -1.75686569      1.52967083
  H     -2.38761860     -2.03400123     -1.31558264
  H     -3.70402975     -2.13067045      2.61016524
  O     -1.00165331      2.42811636     -1.85589684
  H     -0.28502328     -1.72940443      0.94781142
  H     -3.31230624     -2.03850171      4.10221769
  O     -4.74927950      3.68576520      5.30674967
  H     -0.46380224     -0.42114000      1.72365638
  H      0.89977196      2.81411273      1.75738548
  O     -2.97182495      3.89628037     -0.71012591
  H     -3.68312462     -0.24943164      5.70402467
  H      1.68970478      3.88403913      2.54608224
  O     -5.60784869      2.46708194      2.92871727
  H     -4.30012029     -1.47895014      6.40682070
  H     -0.00255835      2.66963975      4.08671433
  O     -1.74896894      4.16520976      1.76122388
  H     -5.43559333     -0.46598031      4.34354464
  H     -0.74551823      1.35618638      4.31393905
  O     -5.54874611      2.91152535      0.16951512
  H     -5.83364324     -0.74686884      2.88724196
  H     -3.72301096      2.12676571      5.79083271
  O     -2.97361560     -2.28071483      3.23071196
  H     -1.27900915     -0.37126442     -0.51644497
  H     -2.24753691      1.68796701      5.66291677
  O      0.86726410      3.40142093      2.53416921
  H     -1.57072940      0.68047995     -1.61061183
  H     -4.26740830     -3.48924591     -0.71089163
  O     -0.60388715      2.23218159      4.70335235
  H     -5.23867028     -2.50386488      0.93551577
  H     -5.57150080     -4.22544317     -1.06469925
  O     -3.12259941      1.38465257      5.92919962
  H     -4.82697056     -1.00939111      0.96970930
  H     -1.80872599     -3.06723509      2.08410649
  O     -5.14469586     -3.73302960     -0.36930864
  H     -0.72913293      2.85069862     -2.66617521
  H     -0.86364331     -4.21631049      1.67282961
  O     -1.19154494     -3.36430561      1.39522752
  H     -1.72566326      2.96609559     -1.48931656
  H     -3.34040754      1.23132074      1.35862454
  O     -3.05182512      1.73630426      2.12998647
  H     -5.12687543      4.26486642      5.96320909
  H     -3.86366965      2.00015078      2.58164027
          69
 Energy    -248.13089612986835     
  O     10.86914345      8.54907102     -9.55026576
  H     11.19103610      8.83507913     -8.68594949
  H     16.99530714      8.85064011    -11.24625865
  O     14.21632695      9.77639503    -17.14400372
  H     10.67438851      9.36570227    -10.02903151
  H     14.95385140      7.64368432    -11.76812335
  O     14.93154558      9.18243562    -14.49812767
  H     14.64996632      9.87590451    -17.98704557
  H     15.64224188      8.19276699    -13.03363515
  O     12.90073593     12.10359283     -7.87736361
  H     13.68266803     10.57957231    -17.00506094
  H     12.63992575     15.44442521    -11.68058082
  O     12.56079657     11.88293151    -16.66711684
  H     14.04475957      8.91980931    -14.20721081
  H     11.85696982     14.24446086    -11.13258418
  O     12.38942015      8.46558194    -13.64534788
  H     14.85971285      9.34339771    -15.44680361
  H     13.43289837      8.89833669    -10.96825628
  O     14.32150560      8.13660907     -8.29233810
  H     12.34312994     12.64011878     -8.45188573
  H     12.30556839      7.95987729    -10.48731559
  O     13.64921902     10.67899426    -10.96123612
  H     13.80130897     12.16365383     -8.22273166
  H     17.96076294     12.50962807    -11.49169167
  O     12.14538500      9.57582035     -7.20107978
  H     12.64869036     12.35830292    -15.83016859
  H     17.34409955     11.11734408    -11.20098516
  O     10.91116539     11.01061718    -10.96346258
  H     11.67007081     11.51176984    -16.66884843
  H     11.50354765     11.54717431    -13.81338639
  O     12.73493577     12.84564336    -14.02235971
  H     11.84604692      9.26422109    -13.58682557
  H     10.44035704     10.70136440    -14.56308416
  O     17.54086635      9.48674967    -10.75995288
  H     12.52814697      8.14019075    -12.74902743
  H     15.87019398     11.06902085     -8.64968728
  O     15.81554772      7.83615566    -12.15264806
  H     14.00268667      7.88265596     -9.16457418
  H     16.00089267     12.07436923     -9.81787111
  O     12.24463084     14.61433310    -11.93811427
  H     13.57930723      8.57406039     -7.85451374
  H     15.15171668     10.77329125    -13.66337977
  O     13.15764462      7.96660277    -10.95053855
  H     14.07035450     10.99466321    -11.77112328
  H     15.82993019     11.79653641    -12.67475130
  O     17.13128026     12.05290331    -11.38362227
  H     14.18358396     11.00535328    -10.22773296
  H     10.65957427      9.57800162    -16.45931986
  O     10.86432440     10.82613497    -13.70576306
  H     11.83741611      9.57975723     -6.29850539
  H      9.33397396     10.24185898    -16.90552042
  O     15.42576554     11.80715873     -9.09045627
  H     12.39462582     10.49163325     -7.41588394
  H     17.10318932      9.21240026     -7.27236139
  O     15.03322132     11.60671734    -13.18523146
  H     11.87472236     10.90371852    -10.90740188
  H     15.83034654      8.93841899     -8.11021743
  O     10.11518850     10.38198844    -16.37805875
  H     10.69033714     10.95007368    -11.90255695
  H     10.88564043     12.54142868    -10.11975606
  O     16.63147448      9.49028027     -8.05244511
  H     12.52694071     13.52725872    -13.36959086
  H     10.21176869     13.67542504     -9.31191651
  O     11.04770689     13.39278996     -9.67550273
  H     13.59721944     12.48008895    -13.77518241
  H     12.68298108      8.64465343    -16.76541104
  O     11.85398269      8.29085438    -16.41966735
  H     17.33652855      9.36862701     -9.82529526
  H     12.01072165      8.12483937    -15.48020515
          69
 Energy    -248.13082189831175     
  O     -0.79869334     -0.63148202      2.59277085
  H     -1.71456546     -0.45674600      2.86503553
  H      0.66280150      1.39310965      0.14533319
  O      0.17407178     -0.96227307      7.02281876
  H     -0.57079665     -0.01797281      1.88513455
  H     -1.55538735      5.57373330      4.02349123
  O     -6.76518200     -1.24159363      3.87368413
  H     -0.19203772     -1.71889113      6.52890161
  H     -2.28767190      4.35501402      3.41252184
  O     -5.24285814     -0.30765020      1.64021925
  H      0.84580707     -1.30861156      7.60352806
  H     -1.66862091      3.36629390      5.39817348
  O     -3.74316600     -1.85581029     -0.19831960
  H     -6.44085409     -0.87103298      3.04364205
  H     -1.13276306      1.92799573      5.52665574
  O     -2.57568264      0.58187155     -0.46315122
  H     -6.40014699     -2.13359019      3.90662248
  H     -1.37302806     -0.02019901      7.62740779
  O     -0.65833354     -3.33709843      2.76568368
  H     -4.56662906     -0.31182942      2.33659110
  H     -2.07943451      1.31048771      7.30416304
  O     -0.94703929     -2.93833531      5.58264349
  H     -4.92250599     -0.91813011      0.96565161
  H     -0.20660430      3.52414839      3.21246382
  O     -3.62038967     -2.25171213      5.52371985
  H     -3.94398300     -2.17190049     -1.07556255
  H      0.48386518      2.20698557      3.62195251
  O     -5.34317708     -3.74419393      3.92395480
  H     -3.24871729     -1.02426651     -0.31035588
  H     -3.41772860     -0.93138020      4.26447798
  O     -3.67487081      3.72247301      2.61039480
  H     -3.25092403      1.22891845     -0.22254487
  H     -3.58983113      0.59221019      3.97508225
  O     -0.10944445      1.34262192      0.70307360
  H     -1.74288738      0.91154423     -0.10570236
  H     -5.53054854      2.48504355      0.02606094
  O     -1.52639415      4.62318874      3.95980536
  H     -0.63879507     -2.36935437      2.65903114
  H     -5.03768709      1.33164230      0.92646642
  O     -1.76732423      2.55284862      5.90787633
  H      0.08854684     -3.68382599      2.28446281
  H     -3.68068820     -0.37336433      7.84848117
  O     -2.17450086      0.48850820      7.80141108
  H     -1.89837910     -2.75828749      5.61509903
  H     -4.74011767     -1.11709039      8.69624021
  O      0.39185618      2.83652642      2.89475878
  H     -0.76327514     -3.19629197      4.67313933
  H     -6.42437341     -0.08571988      5.26965010
  O     -3.29443260     -0.24632579      3.59399268
  H     -4.00444670     -1.87129088      6.32415746
  H     -5.68749085      0.03825150      6.63050920
  O     -4.75926842      2.14591233      0.47430318
  H     -4.27776184     -2.82005935      5.10255148
  H     -2.48071171     -3.59094350      2.28730823
  O     -4.49460859     -0.90713818      7.79947998
  H     -5.69616571     -4.62945614      3.94085732
  H     -3.48013317     -3.02691837      1.25234205
  O     -6.12189209      0.54758292      5.93738421
  H     -4.67919045     -3.71987077      3.21092498
  H     -0.15424441      0.22420656      4.11380668
  O     -3.41076840     -3.59174912      2.03173003
  H     -3.97800042      3.28164802      1.81109256
  H      0.28861553      0.22144103      5.59887692
  O      0.14167377      0.79447096      4.83635639
  H     -4.00808150      3.18429607      3.34595926
  H     -4.95820154      1.63625091      5.21447069
  O     -4.24965683      2.07680021      4.72113279
  H      0.04760920      1.95590340      1.44313670
  H     -3.49457007      2.23337632      5.30276441
          69
 Energy    -248.13061699216010     
  O     15.81258984      9.72818494    -10.26954908
  H     15.66541973     10.46091862    -10.87855632
  H     17.06882278      3.90822428    -11.64592021
  O     13.22380658     11.37015017    -15.88519920
  H     14.95473078      9.44882245     -9.91161259
  H     12.83307799      8.57391827    -10.14274759
  O     17.63721816     10.42079524    -13.58533606
  H     13.14386467     10.98973219    -14.99772116
  H     13.66768956      7.83331136     -9.05627602
  O     12.30496949      6.13588925    -12.74984066
  H     12.32953200     11.47699836    -16.20209465
  H     17.81874437      7.34394925    -15.58838033
  O     17.07891902      6.34852580     -8.72085445
  H     18.22320850     10.07580436    -12.89594705
  H     18.84698699      6.30129654    -16.08058713
  O     15.89652694      7.48888716    -12.00753686
  H     16.91447561     10.87386662    -13.14078015
  H     12.63676836      9.70954167    -12.76487782
  O     15.31819582     11.59737144    -12.28344352
  H     12.95299007      5.75539826    -12.13888050
  H     13.76526455      9.43108034    -13.78703299
  O     18.44765351      6.64077211    -12.59927705
  H     12.63639726      5.94779691    -13.63488318
  H     15.79626607     11.41581525    -17.78578842
  O     19.22679302      9.18448527    -11.66535900
  H     17.50762149      7.21063448     -8.78579746
  H     14.72988302     10.90258018    -16.80923804
  O     16.01349363      4.69335587    -14.77201497
  H     17.55292170      5.75964395     -9.32039317
  H     10.74798793      8.53990539    -11.49690560
  O     13.61081951      5.74843018    -15.26229757
  H     15.47657326      7.73342632    -12.84335064
  H     11.87677652      7.66626343    -12.09061422
  O     16.31120767      3.69749484    -12.20208919
  H     15.89712097      8.26395119    -11.43309272
  H     14.21172308      5.77850881     -7.56126547
  O     13.46147770      8.70286717     -9.42259808
  H     14.55161521     11.14015440    -12.66657182
  H     15.37013996      6.25973166     -8.46656784
  O     18.20549406      6.47240068    -15.39570459
  H     15.15357023     12.53271056    -12.37368158
  H     14.93261842      6.09810918    -11.38879972
  O     13.24711823     10.14214504    -13.37356953
  H     17.54287122      6.92241542    -12.38706164
  H     14.27788794      5.51218102    -10.11886158
  O     15.53855423     10.64814081    -17.28043169
  H     18.48639718      6.53792021    -13.55694768
  H     18.58527887      5.41319456    -11.34558786
  O     11.68340048      8.53027131    -11.68274431
  H     18.97821362      9.14329721    -10.73518600
  H     19.35863074      4.36739577    -10.50969103
  O     14.39926437      6.20409614     -8.39326463
  H     19.11705528      8.28424629    -12.00001867
  H     14.32582873      7.35878764    -14.80573001
  O     14.36883096      5.37591134    -11.06880701
  H     16.78571975      5.22423393    -14.99197179
  H     15.50880206      8.38267651    -14.95948898
  O     18.49846259      4.76286638    -10.62691806
  H     16.17572329      4.28981141    -13.90636678
  H     18.31137083      9.57957246     -8.30634785
  O     14.73035650      8.15314743    -14.43504762
  H     14.45827742      5.29446833    -15.09324057
  H     17.27570755      9.31528459     -9.42486200
  O     18.10089373      8.98732542     -9.02403483
  H     13.26553768      5.39237521    -16.07572311
  H     16.59407098      9.49108575    -16.38152964
  O     17.04117569      8.91719720    -15.74482422
  H     15.55607309      4.12446593    -11.77416233
  H     17.32660719      9.47382041    -14.99992614
          69
 Energy    -248.13059997842751     
  O     13.80768418      7.37826599     -9.63465846
  H     13.53738521      8.05111946    -10.28375738
  H     17.38759316      6.21468567    -17.11970601
  O     16.33246854     10.96621781    -10.49525187
  H     13.10875612      7.32318339     -8.98806482
  H     16.74979989     11.49336385    -13.84972736
  O     18.21007979     11.25041046    -12.70540651
  H     15.53360089     11.33242068    -10.89381365
  H     15.94255726     10.56901215    -14.78947066
  O     10.80600662     10.94617974    -14.43729022
  H     17.03231389     11.13688285    -11.13526043
  H     15.46846187      7.14859742    -12.46301206
  O     17.50156928      4.98816003    -11.81790208
  H     19.06681761     11.66707506    -12.66222223
  H     14.90132031      8.57130568    -12.32637441
  O     11.88399164      8.47590647    -13.89662455
  H     18.35967407     10.29057977    -12.64504274
  H     14.06880355      5.57254392    -12.31133111
  O     14.15681316     11.71800774    -12.16227568
  H     11.15922991     10.99173040    -15.33454040
  H     14.42767448      6.07657497    -10.88051415
  O     13.79379955     12.84785309    -15.56990024
  H     11.15081996     11.72674830    -13.98768114
  H     13.27555699      5.71562232    -14.52454015
  O     14.06928897      5.70097735    -16.30657618
  H     17.88372229      5.58370566    -11.16174379
  H     12.39377312      6.62872488    -13.64922143
  O     15.86684033      8.82596874    -15.33300827
  H     16.54262355      5.05135700    -11.70872481
  H     17.36409186      8.41455753    -12.49645905
  O     13.34564884      8.43080107    -16.33293580
  H     12.39640087      8.43093000    -14.71372992
  H     18.59875611      8.07417041    -11.64095689
  O     16.79008546      6.35441978    -16.39001212
  H     11.35748463      9.28580066    -13.97340548
  H     17.99668032      5.65490722    -13.41581030
  O     15.92552680     11.42989506    -14.34939580
  H     13.44764551     12.30892582    -12.44230825
  H     18.44727107      7.08065762    -13.74092943
  O     15.60886362      8.06311939    -12.74023447
  H     14.74205515     11.61025643    -12.92554625
  H     19.18078783      6.91358644     -9.36474535
  O     14.78137354      5.62365239    -11.65593163
  H     14.61046183     12.43499419    -15.25894614
  H     17.81341899      7.53317002     -9.74053885
  O     12.89024738      5.80096308    -13.64510587
  H     13.34552469     12.19837962    -16.12593542
  H     12.60080538      9.98335944    -16.82641851
  O     18.32407259      8.54439059    -12.43905561
  H     15.02626627      5.86200282    -16.31102938
  H     11.88117508     10.90273933    -17.83712299
  O     18.22769620      6.23874939    -14.15425742
  H     13.92791126      4.87930012    -16.77158952
  H     16.39433924      9.35324888     -9.63854607
  O     18.58143061      7.04596815    -10.09361346
  H     16.30824537      8.11088633    -15.80410335
  H     15.56168005      8.08899156     -9.29767850
  O     12.23989403     10.87584859    -16.95324777
  H     15.75667201      8.51897608    -14.41753450
  H     11.88424660     14.16788770    -13.34760719
  O     16.45014764      8.45920484     -9.27017665
  H     13.40647383      7.48131541    -16.48887194
  H     12.74953502     13.22279097    -14.21825482
  O     12.18621597     13.26693112    -13.42368567
  H     14.21929744      8.68985911    -16.00198742
  H     12.75299494      8.90565513    -12.38174382
  O     13.29018892      9.17011165    -11.62166133
  H     17.31592192      6.24276923    -15.57516737
  H     13.50710028     10.10588386    -11.72953372
          69
 Energy    -248.13052789684434     
  O     16.00975254      8.72375652    -15.15155748
  H     16.25075979      9.37588018    -15.83144246
  H     17.19199168     11.77450889    -10.32978116
  O     17.89694805     14.82673802    -16.37333251
  H     15.64027260      7.97933540    -15.61773199
  H     19.87213765     15.93849773    -11.17063416
  O     21.41408900      9.61372018    -14.85418236
  H     18.67387968     14.45906558    -16.81103390
  H     19.95417482     17.46849808    -10.98163429
  O     19.48225356     14.27432569    -10.59698414
  H     18.23673635     15.44135063    -15.71166458
  H     21.68869750     12.49097500    -11.91829585
  O     15.34842634     12.99815768    -13.24495547
  H     20.91446650      9.34206483    -14.06128524
  H     22.54120838     13.22068832    -10.83861944
  O     20.35592880     10.46019534    -10.15310961
  H     22.04061618      8.91826988    -15.03259305
  H     16.72018055     10.05662111    -12.35038598
  O     15.66335060     11.14865027    -11.30072901
  H     20.32132650     13.80935439    -10.71789758
  H     16.84645521      9.29029458    -13.70819224
  O     19.55208966     11.18184503    -16.35024336
  H     18.87853372     13.61973254    -10.21253229
  H     20.54208198     13.54804140    -18.30518480
  O     21.43746812     14.58233788    -14.97422956
  H     15.38829136     12.94290465    -14.20636332
  H     20.06826340     12.71037369    -17.09385202
  O     21.32898815     12.15596680    -13.62759124
  H     16.05570650     13.61232968    -12.99825046
  H     22.34933871     15.59076451    -13.61910800
  O     16.80498467     10.65694382    -16.91102285
  H     20.71158452     10.08541073     -9.35043152
  H     21.82140821     16.34841568    -12.38308259
  O     17.98744704     12.10912652     -9.90006214
  H     20.91053617     11.22928172    -10.36805937
  H     20.00958105     15.62355867    -14.50709859
  O     20.11203922     16.77028941    -11.61228718
  H     15.47588016     11.79882030    -12.00225164
  H     19.47163773     16.56124847    -13.40668669
  O     21.75401978     12.67362523    -10.96905651
  H     14.83229422     10.95781179    -10.87436003
  H     23.49378022     15.01412530    -11.58998173
  O     17.34940904      9.68111401    -12.97776915
  H     20.20284252     10.54621066    -16.03021320
  H     24.74059443     14.70711656    -10.74105720
  O     20.29362573     13.60998227    -17.38636429
  H     19.12311346     11.52921887    -15.55026415
  H     20.20194713      9.45558650    -11.76775140
  O     22.62276679     15.99069566    -12.78446822
  H     21.18705574     14.34579202    -15.87519972
  H     19.06109685      9.11789859    -12.73825957
  O     19.23361603     16.14016325    -14.24168607
  H     21.47868739     13.74771200    -14.48471177
  H     18.14223351     11.20607595    -13.57058493
  O     23.84863744     14.41721274    -10.90874452
  H     21.60819543     11.33761886    -14.05346457
  H     18.18878113     12.77200762    -13.56544273
  O     20.01690130      9.02982952    -12.61286494
  H     20.35895699     12.12006198    -13.61947533
  H     15.03591625     13.55044605    -16.60221716
  O     18.61010109     11.97864106    -13.91449828
  H     16.42896211     11.50727039    -16.64796756
  H     16.49980401     13.78073623    -16.17567080
  O     15.74667399     13.17065088    -16.09029661
  H     17.76332550     10.76393607    -16.88404920
  H     18.12300743     14.99538353    -13.34546852
  O     17.69939200     14.34948476    -12.76612323
  H     18.66390093     11.42694462     -9.99175079
  H     18.25363231     14.28829274    -11.97782611
          69
 Energy    -248.13024817652826     
  O     12.00168689     10.99586229     -7.84912090
  H     11.79178292     11.47480605     -8.67048685
  H     13.08341346     11.37393437    -14.25834697
  O     10.86498825      8.06745094    -15.94266841
  H     11.36617580     11.27931681     -7.19632631
  H     14.73114177      7.25621623    -11.45564120
  O     11.69028886      8.52233929     -9.31604936
  H     10.86762229      7.71250979    -16.82760536
  H     14.08944942      6.96848230    -12.82650639
  O     12.47889429      7.62989005    -13.67384813
  H     10.87162329      9.03695958    -16.02986332
  H     15.06566351     14.49796976    -13.65761587
  O     15.40396977     13.83770985     -9.09797968
  H     12.61202186      8.25886081     -9.44192257
  H     15.12509360     13.37546257    -12.60153840
  O     10.71046093     10.79878468    -16.01927507
  H     11.72458996      9.28273106     -8.72538459
  H     14.20395098      9.15593502    -10.36071124
  O     10.69013104      8.74715608    -11.87476139
  H     11.98559662      7.63681110    -14.50337440
  H     15.18271147      8.50953067     -9.36744345
  O     16.61024633      9.46467783     -8.46940405
  H     11.86630624      7.93542148    -12.98794497
  H     16.04388065      8.22689491    -12.92088576
  O     13.82935926     10.72386785    -11.17537655
  H     15.71655372     13.35450462     -9.88165161
  H     16.93309804      9.39448950    -12.42821192
  O     14.82370204     11.35942850     -7.77136800
  H     16.11121658     14.41969820     -8.82985334
  H     11.17639346     11.77264031    -13.18371592
  O     11.62439501     12.23163109    -10.22998180
  H     11.36236607     11.37133447    -15.59692555
  H      9.66415663     11.43074671    -13.11150713
  O     12.54815962     12.18362480    -14.31639434
  H      9.87184947     10.97763179    -15.57517688
  H     16.75536034     11.75218998    -11.28126826
  O     14.92259287      6.91875230    -12.34107435
  H     10.65279621      9.69408820    -12.05896684
  H     15.21439527     11.77281910    -11.23627628
  O     14.51928402     13.93118147    -13.11713666
  H     10.95497954      8.63561077    -10.95057851
  H     13.46645071      9.12354337    -13.84844138
  O     14.42484408      8.31620027     -9.92755642
  H     15.97517817     10.15091101     -8.19234539
  H     14.90360196      9.71780573    -13.71889272
  O     16.45954135      9.06094071    -13.19509240
  H     16.94701263      9.06503612     -7.67167176
  H      7.44794208     11.19778749    -14.48977708
  O     10.46860636     11.49777648    -12.58320160
  H     13.02589535     11.18092338    -10.90194306
  H      8.41535734     10.01934071    -14.21530659
  O     15.99576418     12.34306727    -11.33674098
  H     13.75455422     10.45776905    -12.10306125
  H     17.42195038      9.94321838    -10.03020454
  O     13.96889507      9.94925998    -13.82745522
  H     13.87148668     11.20117665     -7.74937619
  H     18.73303445     10.03953382    -10.84105180
  O      8.36712972     10.98177248    -14.36257141
  H     14.94939467     12.25018758     -8.11787462
  H     13.50169772     14.43996098    -11.54768653
  O     17.80380218     10.25621679    -10.86572004
  H     11.06112654     12.04676905    -10.99375129
  H     13.83235571     14.40816365    -10.04349110
  O     13.10243155     14.48761106    -10.67056559
  H     12.04839050     13.09172683    -10.36839709
  H      9.42217918      8.08952102    -14.65183872
  O      8.82157640      8.34483404    -13.94047321
  H     13.11713831     12.89068572    -13.99690526
  H      9.35182388      8.32764057    -13.13123820
          69
 Energy    -248.13024418236694     
  O      0.08438753     -2.95636725      2.17440300
  H      0.68480722     -2.38316321      2.64176231
  H     -0.38854841     -8.15381388      1.69450681
  O     -1.32932298     -6.71166488     -5.93071258
  H      0.55734081     -3.79775248      2.02533836
  H     -5.15229087     -6.48353560     -0.91015238
  O      0.84147856     -8.13661436     -1.08853162
  H     -1.44066774     -6.47009300     -6.84571415
  H     -5.70641002     -6.80584731      0.49124956
  O     -6.05096441     -5.81542900      2.04094441
  H     -0.45810733     -6.37319009     -5.65197454
  H     -2.68522858     -8.66472846      0.89052425
  O     -0.77867834     -9.14532795     -4.51099460
  H     -0.08831836     -8.16894773     -1.35951829
  H     -2.68127175     -7.74521631      2.16154067
  O     -3.78246074     -9.33236068     -0.47262083
  H      0.85856001     -8.21194055     -0.12731765
  H     -3.81080481     -1.59376565     -1.27818074
  O     -2.18540758     -5.61521677      0.19323262
  H     -6.89315095     -5.67639420      2.46621655
  H     -2.77440781     -2.58675911     -0.70533826
  O     -2.25327793     -5.91227767     -3.39513009
  H     -5.67793778     -4.93281628      1.86740241
  H     -2.32912246     -4.77302210      1.82122994
  O     -4.81383297     -3.42613066      1.63296471
  H      0.15966132     -8.99991427     -4.33247961
  H     -1.55939013     -3.76582502      2.69151267
  O      1.84187697     -8.32966252     -3.64119428
  H     -1.03832398     -8.43867767     -5.11586942
  H      1.51377825     -6.39383677     -1.12606955
  O     -3.63241866     -6.74561186      3.26414011
  H     -4.42625575     -8.60012977     -0.43876260
  H      1.23309184     -4.99733349     -1.69266734
  O      0.58233137     -8.09725209      1.72204377
  H     -4.28370775    -10.14179845     -0.51345373
  H     -0.34071017     -3.66165087     -2.05930399
  O     -5.42011571     -7.21379087     -0.33500506
  H     -2.11003683     -6.52067931      0.51445504
  H     -0.84775978     -4.78187808     -2.98846002
  O     -2.12341687     -8.14007592      1.47223266
  H     -2.97231982     -5.56601968     -0.36408920
  H      1.39972887     -6.61188211     -4.41880863
  O     -3.72313122     -2.44772167     -0.86211423
  H     -2.06585295     -6.71287376     -2.88152745
  H      0.81996898     -5.19070076     -4.19769869
  O     -2.36500806     -4.29378394      2.66380348
  H     -2.09441927     -6.13372259     -4.32062522
  H      1.05201944     -6.19387506      1.78185045
  O      1.81041315     -5.47551522     -1.08560786
  H     -3.98773979     -3.58102412      2.11316139
  H      1.55758621     -5.25157847      0.67656242
  O     -0.07777666     -4.22743396     -2.79580252
  H     -4.55771632     -3.01435022      0.80096022
  H     -1.34146472     -4.08796510     -0.25546962
  O      1.00911854     -5.85490303     -4.87283160
  H      1.58891709     -8.31426862     -2.70330353
  H     -0.63117385     -2.89670920      0.41341067
  O      1.28941486     -5.27810142      1.60826304
  H      2.73233902     -8.67062115     -3.67631411
  H     -1.51274030     -8.75677210     -2.92342532
  O     -1.08964412     -3.15986043     -0.39331700
  H     -4.51184113     -6.52845405      2.93053589
  H     -2.44793542     -8.76029046     -1.64776101
  O     -1.72942601     -8.29966235     -2.09488303
  H     -3.16391332     -5.90171208      3.31792425
  H     -4.19372834     -4.15970291     -1.51964651
  O     -4.24768337     -5.10718708     -1.69109915
  H      0.87146875     -8.68031567      2.41947259
  H     -3.63011481     -5.31302873     -2.40875366
          69
 Energy    -248.13016392107522     
  O     10.44372140      9.98086486    -12.22853178
  H     11.22672948     10.50505750    -12.43994713
  H     15.32515270      7.17508746    -16.68376203
  O     13.98244355      7.36802865    -15.43734361
  H     10.12383041      9.61996680    -13.06518992
  H     17.69580978      7.14209032    -16.56479919
  O     16.85997223      9.08124258     -9.73383396
  H     13.79741631      6.81888649    -14.66263091
  H     19.15641501      6.64884056    -16.69651761
  O     18.22764134     10.05613176    -16.42673430
  H     13.32732158      8.07913243    -15.45535978
  H     15.76529600     12.14205777    -14.24028567
  O     12.31204052      9.58026801    -15.28202923
  H     16.57529626      8.15598404     -9.66960433
  H     15.12639341     13.54608812    -14.34070264
  O     15.73323669      6.51158757     -9.62099324
  H     17.13442429      9.34384481     -8.85804212
  H     15.14246159      8.40204759    -14.47411939
  O     13.58562579      5.96537698    -13.04779209
  H     17.55195262     10.06358615    -17.11691360
  H     16.11335247      9.60013062    -14.11761810
  O     14.64640167      9.60804412    -11.40774510
  H     18.48924704      9.13312796    -16.32517978
  H      9.84590138      7.77517233    -10.03661389
  O     16.04392690      9.91962929    -18.24868166
  H     11.40723592      9.25915017    -15.18567430
  H     10.51269629      8.61727753    -11.15155068
  O     16.18449252      5.37015532    -12.29643063
  H     12.52876115     10.05942270    -14.46967790
  H     17.10797547      7.75967150    -13.52519513
  O     17.18433231     11.12389643    -14.15691666
  H     14.82493139      6.72862368     -9.89415540
  H     18.26970318      7.16128539    -14.34674699
  O     16.10670294      7.25890706    -17.24625882
  H     15.66539668      5.82178077     -8.96483766
  H     10.65725595      6.72114248    -12.28311009
  O     18.58728084      7.20865808    -16.17551909
  H     14.47473481      5.59908950    -12.93265553
  H     11.68431665      6.09127967    -13.24928849
  O     14.92131287     12.61460482    -14.35256081
  H     13.43076618      6.47110099    -12.23937803
  H     17.98176371      9.55102047    -11.26673189
  O     15.66666704      8.81409406    -13.77770098
  H     15.01451359      9.28409523    -12.24783893
  H     18.47718919      8.83830480    -12.52933407
  O     10.57194140      7.78130750    -10.65416625
  H     15.37882119      9.63868316    -10.78275230
  H     13.45895171     10.58057012    -16.34333463
  O     17.93183098      7.25309734    -13.44677490
  H     15.94826050     10.24208321    -19.14068747
  H     14.43625817     11.71212533    -15.97359062
  O     10.77657601      6.41471081    -13.19059604
  H     15.36101813     10.36479216    -17.71602810
  H     12.36357746      7.48209396    -10.48517367
  O     18.42185978      9.70767259    -12.10899861
  H     16.88791196      5.88317868    -12.71693497
  H     13.68744173      8.21329827    -10.86715661
  O     14.18984099     11.11152926    -16.68611153
  H     16.15857137      5.67680448    -11.38407855
  H     13.52736169     11.73341044    -13.42761907
  O     13.31512123      7.36204228    -10.58930653
  H     17.67403252     10.76394197    -13.40326927
  H     13.48993287     10.63693091    -12.34514441
  O     12.94126722     11.10036473    -12.99434252
  H     17.63709148     10.84534535    -14.96843108
  H      9.03157850      8.28474401    -15.09151789
  O      9.82457521      8.51884653    -14.61758791
  H     16.03269571      8.11822344    -17.68070967
  H     10.14337460      7.70861983    -14.18004146
          69
 Energy    -248.13011715169102     
  O     11.21852747      9.18997070    -11.11519040
  H     11.65095145      9.90398894    -11.59968495
  H     18.24321992      6.43831364    -17.45407064
  O     13.82096123      7.02117096    -14.64729410
  H     10.60881691      8.77885445    -11.74145036
  H     14.16939483     13.39615861    -14.83664761
  O     17.53863643     11.07579323    -11.05875343
  H     14.03800529      6.80304731    -15.56698227
  H     15.02093280     12.11210240    -14.94661470
  O     16.87769612      9.74862460    -17.47750511
  H     14.41992355      7.74090916    -14.39453095
  H     15.89287975      9.76644334    -14.62586872
  O     11.75851131      8.94452607    -14.79984422
  H     16.59538511     10.91982832    -11.21446856
  H     15.48326173      9.38109298    -13.18919694
  O     18.02405981      8.36521082    -10.24228849
  H     17.84345020     10.26718888    -10.63014604
  H     12.20325220      7.90598548    -10.43181172
  O     15.01984673     10.09106412    -11.57914578
  H     17.21957826      8.85129686    -17.38834549
  H     12.30379338      6.78593116     -9.37137964
  O     14.26422309      9.30569778    -18.48777150
  H     16.01451966      9.65460033    -17.90143655
  H     19.01918997      8.49019252    -11.89081465
  O     15.81394764      5.80496219    -12.89739742
  H     12.42337644      8.24308125    -14.81915230
  H     19.27196315      9.48912027    -13.04154758
  O     16.57200103     11.33570317    -15.30050886
  H     10.98003687      8.57969403    -14.36164076
  H     12.31882316      6.27848002    -11.87546574
  O     14.69543293      6.78893444    -17.20694924
  H     17.12373607      8.02141440    -10.35652373
  H     12.62216597      6.28523338    -13.39502142
  O     17.55319169      6.98490862    -17.08749097
  H     18.38170770      7.93025468     -9.47164105
  H     18.30284127     11.32186754    -12.59871326
  O     14.12576822     12.44567695    -14.76469154
  H     15.01814753      9.19559608    -11.21416938
  H     19.43577992     11.95663935    -13.44044001
  O     15.62111643      9.02276656    -14.07504713
  H     14.14148769     10.30355392    -11.92076515
  H     16.98419071      7.85019101    -14.28009488
  O     12.72042538      7.12763733    -10.15877624
  H     13.90749280      9.46719804    -19.35714252
  H     18.44802194      7.58653332    -13.86547665
  O     19.43191554      8.58047752    -12.75909040
  H     13.73503535      9.83606852    -17.86606109
  H     13.23463537     11.37651534    -16.09812533
  O     11.95049734      6.05699877    -12.73897730
  H     16.60461262      6.09410628    -13.37352195
  H     12.33765165     10.12234828    -16.09896416
  O     18.72493261     11.32103640    -13.47711972
  H     15.08930395      5.93733160    -13.51785437
  H     15.58504881      6.83896623    -11.46723345
  O     17.71725690      7.22506591    -14.38620415
  H     16.77631520     10.86360957    -16.12388809
  H     14.53343318      7.28141727    -10.41235368
  O     12.83743980     10.71574253    -16.67607392
  H     17.36237553     11.35540251    -14.74591577
  H     13.14993658     11.47638106    -13.45179852
  O     15.42626543      7.45587683    -10.73558989
  H     15.65950140      6.74013362    -17.21939353
  H     12.37705599     10.14985620    -13.55975977
  O     12.70388559     10.80239812    -12.92393531
  H     14.47275069      7.59130998    -17.69617364
  H      9.01258787      7.26352049    -13.26350261
  O      9.84656369      7.71086992    -13.15179168
  H     17.69043081      7.00088108    -16.12455847
  H     10.52286796      7.02288371    -13.00881097
          69
 Energy    -248.13007385611280     
  O     21.98982865     12.54871333    -17.64630225
  H     22.77781363     12.28702954    -18.11547220
  H     19.01072714     13.05610786    -18.72762518
  O     16.41139931     17.67075411    -14.77236788
  H     22.25712347     13.23775067    -17.01218867
  H     19.64340057     15.47474623    -18.36103646
  O     22.10155054     14.21523133    -13.07810485
  H     16.84104924     17.72466944    -15.63318871
  H     18.85128266     16.77008685    -17.90594480
  O     15.19043243     13.46953709    -14.59640290
  H     17.00968678     17.18929743    -14.18444117
  H     14.82353149     11.66076231    -14.78789231
  O     17.98095239     11.53715930    -17.86149957
  H     22.62685055     14.15978569    -12.28517037
  H     15.45580106     10.47565359    -14.05142992
  O     16.87502572     10.29147023    -12.76802116
  H     21.67823659     15.09368214    -13.07976454
  H     20.98375742     16.86226826    -14.25026633
  O     16.20236045      9.56072176    -16.93037240
  H     14.80584738     14.35487217    -14.60066001
  H     19.86194603     16.46492930    -13.24848407
  O     22.65211381     14.47548454    -15.86087583
  H     15.91210836     13.44766490    -13.95206417
  H     18.23374060     13.03083577    -13.24508502
  O     21.57076088     17.11352879    -16.07518773
  H     18.72474822     11.37721804    -17.26329889
  H     17.11423260     12.17409803    -12.65648486
  O     14.20066386     16.09424121    -14.90194816
  H     17.35535639     10.81837711    -17.70264895
  H     17.60131860      9.26582112    -15.63158440
  O     19.83139269     12.95649751    -14.13087339
  H     16.89248608      9.63999070    -12.07187250
  H     19.00577513      9.80259832    -15.30625787
  O     19.67955877     13.73821753    -18.84975887
  H     17.43755358      9.94683065    -13.48495088
  H     15.59695790     15.14286806    -17.59747021
  O     19.70200906     16.31159523    -17.87391278
  H     15.64853658      8.90031124    -17.33785559
  H     14.64869746     16.06689506    -16.82354126
  O     14.91951709     10.69966245    -14.82223847
  H     15.67048990      9.97785106    -16.22891828
  H     18.24559807     15.57417327    -14.23303936
  O     20.81720387     16.57097229    -13.34515063
  H     22.59464866     14.30466080    -14.91308989
  H     17.73631357     15.13335948    -12.85594000
  O     17.35416799     13.09074595    -12.84432823
  H     22.37291270     15.39132803    -15.97788070
  H     17.04897322     18.50443281    -18.04395887
  O     18.25070752      9.33941094    -14.92139706
  H     22.03847736     17.89494912    -16.35978961
  H     16.50026236     17.10563894    -17.68719562
  O     15.15675619     16.00533810    -17.64041076
  H     20.93424577     16.89761911    -16.77803181
  H     20.84071477     11.43722739    -16.65361618
  O     18.05396734     15.90304065    -13.33797076
  H     13.44058133     16.54004255    -14.53754753
  H     20.04125294     11.67525808    -15.35399084
  O     17.27369628     17.69104609    -17.59835372
  H     14.95525791     16.70215619    -14.80610997
  H     19.12620731     15.31612668    -16.43761300
  O     20.12999547     11.07580446    -16.11060599
  H     19.52697011     13.62503163    -14.76512714
  H     17.88332201     14.42954182    -16.19732072
  O     18.65453510     14.81836856    -15.76210380
  H     20.61884247     13.30704455    -13.69748406
  H     16.00015831     13.46408659    -16.21040428
  O     16.48795365     13.67732007    -17.01877047
  H     20.50154071     13.34706342    -18.52577855
  H     16.93368438     12.88164558    -17.33674082
          69
 Energy    -248.13006671597606     
  O     13.71618431     11.15153513     -8.69443723
  H     14.41202797     11.77018064     -8.98248734
  H     17.41221044     14.38338581    -17.10432519
  O     11.16445860     11.41472467    -15.44483564
  H     13.82008195     11.03718386     -7.75371439
  H     13.30093455     14.50464485    -11.17635547
  O     14.27332135      9.05068952    -10.59339468
  H     11.09726455     12.21939845    -14.91043400
  H     12.38729463     13.22027964    -11.17753193
  O     11.65381393     11.68552789    -10.50630762
  H     11.61401398     11.66363396    -16.26261717
  H     11.89386775     14.49574491    -15.32102211
  O     11.97554073      9.45943656    -12.13172437
  H     13.43772637      9.01242182    -11.07810342
  H     12.60694774     13.94076918    -16.57393521
  O     13.45192327     10.34947372    -14.27403621
  H     14.13709496      9.69349977     -9.88844212
  H     15.37541034     12.30291728    -12.66024923
  O     14.73278669     15.44281715    -10.44507596
  H     11.76651976     10.92126214    -11.09260638
  H     13.98104445     13.02270205    -12.60662203
  O      9.62621864     10.01900576    -13.47607888
  H     12.24868958     11.53527819     -9.76085829
  H     17.73165697     12.62151751    -15.11101699
  O     15.07640719     14.64123499    -14.89788575
  H     11.09081993      9.45049861    -12.52215397
  H     17.28750050     11.24677173    -14.58289285
  O     15.36372363     11.47378461    -17.04365593
  H     12.57497926      9.68645476    -12.85839790
  H     13.70603483     11.97241626    -17.35359451
  O     10.92929246     13.70246734    -13.81726226
  H     12.66373886     10.62799061    -14.75675723
  H     12.68081245     12.21553488    -18.48192238
  O     17.05364028     13.71393909    -16.52810196
  H     13.85676049     11.15405930    -13.91150827
  H     15.73560137      8.97307072    -11.52932572
  O     12.73125200     13.94587821    -11.71814088
  H     14.71934764     16.25955054     -9.95296313
  H     17.11309868      8.29817533    -11.71529923
  O     12.56824874     14.70132526    -15.97957879
  H     15.29229620     15.59601971    -11.22672225
  H     16.36186697      9.38731382    -13.94089541
  O     14.60270789     12.55598837    -13.18053287
  H     10.03457857     10.37735530    -14.27584830
  H     15.12405892      9.87044237    -14.68990406
  O     17.83492314     12.01594367    -14.36921474
  H      9.33094924     10.78605300    -12.97149770
  H     17.39399913     12.00097736    -12.64195402
  O     12.80778356     12.29700892    -17.54002689
  H     14.96401391     13.84384644    -14.35721868
  H     16.86345580     10.83576116    -11.77939300
  O     16.56813540      9.01346389    -12.03326034
  H     14.21728907     14.81402385    -15.30809369
  H     10.04598838     12.18098769    -11.27471917
  O     16.08650996      9.78432640    -14.77595027
  H     15.65862439     10.80449960    -16.41634578
  H      8.56837724     12.62512225    -11.27347670
  O     16.93115620     11.79949286    -11.81373630
  H     15.99433652     12.20127645    -16.97375811
  H     17.19471681     15.46352914    -12.74568410
  O      9.29557442     12.40142619    -11.84965422
  H     10.19063248     13.38017867    -13.28732295
  H     15.84870379     15.47792747    -13.48454672
  O     16.28590922     15.74542762    -12.66127201
  H     11.61692761     13.91015900    -13.16790279
  H     15.37132153     13.76476289     -9.81928156
  O     15.59559822     12.85334130     -9.60080903
  H     16.35442783     14.13752943    -16.00029838
  H     16.16405780     12.52716324    -10.31227197
          69
 Energy    -248.12990991076353     
  O     13.93061629     12.05905193    -13.17093914
  H     14.48414710     12.16473332    -12.38968774
  H     18.62832742      5.61066144    -13.48624699
  O     15.47028323      5.85490180    -13.59258109
  H     14.44580196     11.49174056    -13.76385210
  H     18.41221545     10.30186555    -12.30291559
  O     15.95035264      7.15232725     -9.33031512
  H     16.32398175      5.41061988    -13.48232358
  H     18.02814234     11.22912082    -13.47061583
  O     18.80008304      8.47485286    -12.17396884
  H     15.62092703      6.76155748    -13.27906805
  H     15.63101382      8.69100893    -11.96651010
  O     11.48634073      6.54642582    -10.34589954
  H     15.54783053      7.97881510     -9.62810003
  H     17.01747253      8.42722883    -12.62780833
  O     12.82059687      6.64642793    -13.83664531
  H     15.21984781      6.53935668     -9.18418775
  H     10.91965897     11.25340436    -13.88799725
  O     14.76361509      9.36758349    -10.53282745
  H     19.22386478      8.01685276    -12.91242013
  H     12.42721227     11.27011795    -13.53923516
  O     18.10443714      8.28797043    -15.96793501
  H     18.71292136      7.82368998    -11.46475168
  H     14.61546802      4.71502604    -12.25689843
  O     11.35248494      4.76928225    -12.39319133
  H     12.24101153      6.25729197     -9.81693895
  H     13.16639099      4.26921157    -11.95694546
  O     19.71835754      6.92935515    -14.32688971
  H     11.73232371      7.39362730    -10.73925956
  H     12.45253544      9.46890804    -15.13601386
  O     15.53332206      7.18463432    -16.20834476
  H     13.71272271      6.27614150    -13.78958994
  H     12.86459253      7.99536929    -15.04557292
  O     17.99901155      5.09567081    -12.96516006
  H     12.21964377      5.97692787    -13.48675481
  H     18.83380518      6.02709447     -9.67814532
  O     18.01894448     11.16054290    -12.50869037
  H     15.04002098     10.28668381    -10.63826453
  H     17.45057686      6.63801671     -9.99596340
  O     16.06370641      8.38569910    -12.77447863
  H     13.89888760      9.24901467    -10.95097303
  H     13.95025109      4.91014445     -9.99239967
  O     11.68238607     10.69102197    -13.78377208
  H     18.03964249      9.24090377    -15.84463186
  H     13.71611449      4.66011639     -8.48305365
  O     14.06646876      4.26192703    -11.60704105
  H     17.21044840      7.95705045    -16.13334034
  H     16.79274625     10.83888660    -15.23108006
  O     13.01210037      8.80464043    -15.55777067
  H     10.53822182      4.27585811    -12.42739931
  H     17.72869531     11.79046686    -16.01392643
  O     18.30256837      6.37590214    -10.38901245
  H     11.29047871      5.37321629    -11.63040891
  H     12.07756543      9.41302923    -12.46488122
  O     13.79022812      5.34993914     -9.13779049
  H     19.15317294      7.38675106    -14.97717423
  H     12.64917506      7.98612891    -12.54980851
  O     17.72476645     11.08315551    -15.37374921
  H     20.55116388      6.75964377    -14.75773693
  H     16.11851073     12.57367457    -10.42738555
  O     12.44755385      8.70072277    -11.92947131
  H     14.69217015      7.64964974    -16.22998760
  H     16.62976551     11.67034326    -11.57175220
  O     15.83877512     11.91645200    -11.05924994
  H     15.49781097      6.59986142    -15.44198455
  H     15.58687195      9.55724487    -14.04539933
  O     15.26380475     10.18084085    -14.71350068
  H     18.09141155      5.41365081    -12.05811627
  H     14.52087559      9.74288105    -15.14672451
          69
 Energy    -248.12973980324057     
  O     14.37740350     13.18132848    -13.99822221
  H     14.29793580     14.04985876    -14.38520925
  H     11.26434534      6.70319403    -16.70701015
  O     13.23173401      7.15628646    -13.75559465
  H     14.09566695     12.54569783    -14.68140772
  H     17.91690590      9.90378653    -16.49062663
  O     17.40577203      7.30192879    -12.01189034
  H     12.64791136      7.03914714    -14.51392445
  H     17.25679404     11.15115981    -15.85269870
  O     18.92004847      8.32311304    -16.07628989
  H     13.77813953      7.93403848    -13.95726835
  H     14.52622577      9.93517304    -14.89642532
  O     11.41014153      9.95225769    -15.30132415
  H     17.03928253      7.37591216    -11.11781327
  H     15.50593107      9.53712697    -13.74773945
  O     16.08377463      7.71855884     -9.63523417
  H     16.79678492      6.75771909    -12.52573876
  H     13.66673019     12.57815182    -12.43753062
  O     12.73791605      7.93102929    -11.17542968
  H     19.66736994      8.03711540    -16.59557034
  H     12.86970476     12.97551005    -11.17731144
  O     16.62591145      9.97474830    -12.38780290
  H     19.19515261      8.27606457    -15.14480449
  H     15.81868773      3.45938427    -11.31102186
  O     14.15346279      7.72068079    -17.53654701
  H     11.43415784      9.03099540    -15.58151535
  H     15.37376113      4.63343658    -12.19564557
  O     13.89899767      5.85154865     -9.62610204
  H     11.33086925      9.95702669    -14.33539152
  H     11.71697798      9.36160297    -11.97418463
  O     16.34000933      7.22098730    -15.82023596
  H     15.37924564      7.07100175     -9.51081123
  H     11.98877061     10.85315296    -12.22676968
  O     11.84722533      7.23948437    -16.17687222
  H     15.63908680      8.56759274     -9.75238901
  H     18.90093274      7.75010713    -12.89286149
  O     17.30928672     10.62963800    -16.66712148
  H     13.00735070      7.21375377    -10.59020488
  H     20.06044404      8.75737521    -12.87419724
  O     14.92128294      9.18869377    -14.43211130
  H     12.85180379      7.59992210    -12.07972021
  H     15.98336662      6.05365883    -14.41831083
  O     13.24928672     12.22841624    -11.63502467
  H     15.94398600     10.04718928    -11.70514292
  H     14.70881389      6.13425205    -13.57128581
  O     15.18612543      4.17177197    -11.36302416
  H     17.00581064      9.09175411    -12.29714222
  H     15.15528923     10.77357135    -18.93102097
  O     11.44652077     10.11150710    -12.51756851
  H     14.39167925      8.61747656    -17.80153745
  H     15.87867260     10.46961506    -17.59609444
  O     19.60364984      8.13754457    -13.43879432
  H     14.92681891      7.37800991    -17.06981980
  H     14.12866739     10.79677343    -10.79737364
  O     15.60268787      5.75996116    -13.58014838
  H     14.32174000      5.21145972    -10.22391370
  H     13.91527103      9.26542738    -10.77958358
  O     15.02664221     10.39460427    -18.06590064
  H     13.53399453      5.35051946     -8.90109886
  H     17.04310949     11.34675225    -13.54418750
  O     14.55029495      9.96297714    -10.55711102
  H     17.24076598      7.51651888    -15.99523090
  H     16.22340170     12.50034849    -14.13605966
  O     17.03591537     11.99868615    -14.25916841
  H     15.88752234      7.96176464    -15.38574359
  H     12.80609004     10.88102851    -15.70073984
  O     13.66815830     11.31709280    -15.80584730
  H     12.64622052      7.39872591    -16.71123653
  H     14.04007615     11.07541484    -16.66226566
          69
 Energy    -248.12964790380127     
  O     16.53859311      9.02924535    -14.39794831
  H     17.04286833      9.42806220    -15.11971252
  H     20.00331969      4.32317671    -16.70482053
  O     13.98524025      7.21383547    -17.44707665
  H     17.08718866      9.04690311    -13.60326368
  H     19.85867258      6.88648131    -16.96962576
  O     17.91245196      4.84866856    -13.01816077
  H     13.14235524      7.37357501    -17.86294590
  H     18.69049903      7.00925910    -15.96534922
  O     20.11777662      5.50568251    -18.19120099
  H     13.92110832      7.55741377    -16.53739390
  H     17.47071672      5.86494504    -14.43126648
  O     17.51997451      5.70728525    -18.85559420
  H     17.40870628      4.02925737    -13.11435641
  H     16.84481081      7.24076573    -14.85155710
  O     12.57412854      4.51778375    -11.08628982
  H     18.85579923      4.65614059    -13.06681341
  H     14.78070139      8.59641857    -14.71564931
  O     14.06786480      4.19092901    -14.57344301
  H     20.65517496      5.34316890    -18.96106977
  H     13.81201812      7.54498551    -14.15230821
  O     16.43800035      6.52561287    -11.48245105
  H     19.19181521      5.54084675    -18.49576207
  H     15.75395077      4.75987259    -10.72843578
  O     17.28051735      2.81708567    -15.85916709
  H     17.21415035      6.62726386    -18.86053095
  H     14.41202442      4.01985593    -10.73027425
  O     12.09943680      2.83979588    -13.19159538
  H     16.87240219      5.23328032    -18.32587558
  H     14.93641016      5.63824646    -17.18112091
  O     20.17102856      7.45389847    -13.55223341
  H     11.83876147      4.57842799    -10.48235322
  H     16.17054368      5.46943137    -16.26797451
  O     19.88643293      3.82871042    -15.88657634
  H     12.32084789      3.87954665    -11.77528121
  H     21.34463404      4.07349662    -13.12599615
  O     19.47986264      7.46582239    -16.29831596
  H     14.47200419      4.42465059    -15.41627541
  H     20.44124680      4.33149424    -14.35864799
  O     17.18088999      6.39899005    -15.18390430
  H     14.08056622      4.98306103    -14.01595181
  H     15.36069273      3.20408351    -13.70761415
  O     13.95883229      8.12550281    -14.91007253
  H     16.92717197      7.35396255    -11.51532592
  H     15.87985287      2.97589616    -12.28172061
  O     15.36659761      3.87708856    -10.73479996
  H     16.99171855      5.89843680    -11.97582028
  H     15.57823151      8.01558725    -18.16967049
  O     15.54877435      4.97643655    -16.83172576
  H     16.91466263      2.59263346    -14.99530689
  H     16.87153997      8.82869813    -17.91706385
  O     20.64626043      4.63300654    -13.45290877
  H     16.62673544      3.37866096    -16.28974134
  H     14.82077480      6.45624251    -12.32622794
  O     16.08166430      2.79126358    -13.21129732
  H     12.12815904      1.90253658    -13.36889394
  H     13.40560871      5.84542140    -12.14943623
  O     16.44030198      8.23780487    -18.54325783
  H     12.72865991      3.24866617    -13.80804761
  H     18.92421677      8.24979239    -12.60985185
  O     13.97245808      6.31737155    -12.77152482
  H     20.07502348      7.55511050    -14.50799992
  H     18.60519143      9.34595493    -11.56876762
  O     18.19811616      8.71217852    -12.15371034
  H     20.43072380      6.53401474    -13.42038251
  H     18.55042067     10.50679424    -16.96763664
  O     18.04559165      9.76437886    -16.64562997
  H     19.00760846      3.42446381    -15.92069743
  H     18.65756421      9.01017238    -16.58606771
          69
 Energy    -248.12959098922062     
  O     12.05838177     11.24190999    -14.18110175
  H     12.77408549     11.17587936    -14.82474242
  H     15.90629637      5.70740097    -15.19281260
  O     13.66569746      6.11652140    -17.30542875
  H     12.47922117     11.16136485    -13.31353718
  H     15.84255908      7.41568610     -9.92134558
  O     14.14989235      5.78848386    -11.96236597
  H     13.22757107      6.97161214    -17.14380436
  H     15.53232627      6.38663386    -11.02459984
  O     18.63818071      5.56730854    -11.31782981
  H     13.45243165      5.86441932    -18.19986405
  H     13.67169478      8.98767309    -12.70749963
  O     12.92339134      4.51386443    -15.02832108
  H     14.00853947      6.64312924    -12.40356204
  H     14.52002317      8.38805810    -13.85743187
  O     12.49891102      8.47357194    -16.75593832
  H     13.30448917      5.32743503    -11.99702834
  H     14.88014667     10.12329195    -15.65632126
  O     14.76852293      8.57878795     -8.92031357
  H     19.11182960      6.27094316    -11.77834425
  H     14.65040339     11.32097024    -16.60298926
  O     19.70087221      7.58002466    -13.07476633
  H     17.84931214      5.97707815    -10.93735530
  H     11.15420284      3.91277477    -12.49625524
  O     11.24944212      8.59740957    -14.22462954
  H     13.82101534      4.30610048    -14.73470833
  H     11.99895163      4.67623285    -13.53894687
  O     18.13634332      3.73227172    -13.24310063
  H     13.03550188      5.04660748    -15.82334364
  H     11.03518916      6.41407752    -12.01051121
  O     18.74953187      5.92563751    -15.00680948
  H     11.89451150      8.46095637    -16.00276546
  H     10.78162667      7.81232208    -12.59375820
  O     16.08406236      6.36003265    -15.88660029
  H     13.04023658      9.26396941    -16.64323990
  H     16.38030634      4.08372134    -13.68252680
  O     16.25621879      6.87252388    -10.60221577
  H     13.84819621      8.57729632     -9.22673701
  H     15.12870150      4.87979298    -13.19396914
  O     13.83118300      8.18011108    -13.21538502
  H     14.73949486      8.63466459     -7.96770981
  H     11.40032087      9.08263496     -9.28030182
  O     14.19473344     10.67326194    -16.07078725
  H     20.58866541      7.86471981    -13.27273891
  H     11.69571044      8.20148491    -10.50788983
  O     11.63886546      4.72217611    -12.63495034
  H     19.40370338      7.03580492    -13.82639208
  H     16.07135055      8.05766693    -15.27616108
  O     10.86187850      7.32899892    -11.75979603
  H     11.31203271      9.56512054    -14.22579227
  H     16.46471380      8.94975383    -14.05056503
  O     15.52857955      4.44231459    -13.95919762
  H     12.12830115      8.29250807    -13.95118933
  H     14.19924299     10.68901060    -11.42963711
  O     12.11183073      8.76751118     -9.83314187
  H     18.32607171      4.32504163    -12.49352845
  H     12.82021939     10.06572982    -11.05998475
  O     15.94598308      8.92608656    -14.86695683
  H     18.59997042      2.91644588    -13.07596384
  H     16.44053406     10.10091567    -11.33066051
  O     13.30666450     10.51128141    -11.76273097
  H     18.60379085      5.09491631    -14.53680037
  H     15.62336710      9.96762768    -10.02815993
  O     15.84755381     10.58144735    -10.73784641
  H     17.92731924      6.11376767    -15.47653308
  H     18.16693615      8.49600506    -12.62200518
  O     17.26605998      8.78204759    -12.42384957
  H     15.34173629      6.29455629    -16.50028376
  H     16.88376995      8.10491657    -11.84800637
          69
 Energy    -248.12939678191441     
  O     14.87018157     11.89657005    -11.78398089
  H     15.63042502     11.67398185    -11.23452111
  H     14.60103104      9.48101431    -16.93128587
  O     14.02554958      6.91657130    -15.20045442
  H     15.16549338     11.76224063    -12.69593970
  H     16.10743033      4.41384179    -15.87920554
  O     17.29584859      6.31650416    -10.51368043
  H     14.48691860      6.07438961    -15.12851705
  H     16.49086864      5.34428768    -14.70738023
  O     19.28713697      7.04609281    -12.14231201
  H     13.28865230      6.91402323    -14.57268029
  H     18.69177225     10.12313555    -13.28246142
  O     13.65431528     10.95428173    -16.15239612
  H     16.74424382      7.10944502    -10.47747424
  H     18.98225478      8.93330325    -12.32437623
  O     12.67996206      5.66227395     -9.83113161
  H     16.67113279      5.57862556    -10.51644494
  H     14.95384093      8.06484005    -14.07872962
  O     12.10338371      7.19326238    -13.26718120
  H     18.60602046      6.74098637    -11.51247804
  H     15.62944532      9.43957259    -13.78799320
  O     15.66188472      8.55923537    -10.76006967
  H     20.11805778      6.68623448    -11.84580234
  H     11.81645858     11.57472722    -11.15511402
  O     17.76507355      8.49784939    -16.44486584
  H     13.06599350     10.56177107    -15.48178165
  H     13.27474542     11.27317658    -11.57478930
  O     11.91908311      4.60358005    -12.37936441
  H     13.11993494     11.55106742    -16.66917286
  H     14.92114762      3.75836068    -13.75126953
  O     17.51687058      6.69792553    -14.25442916
  H     12.71894113      6.59789112    -10.08918634
  H     14.49986822      2.37013659    -13.22507308
  O     15.08151816      8.66413178    -17.10753840
  H     12.27778123      5.63514496     -8.96638995
  H     11.95998050      8.95350402    -14.02101367
  O     15.83314521      4.69376814    -15.00859803
  H     12.43843815      7.57320102    -12.44435304
  H     12.16253161     10.30139871    -13.31141913
  O     18.75302504      9.86978260    -12.35402322
  H     11.88745549      6.27208883    -13.06118858
  H     14.39572997      4.87132389    -10.24814782
  O     15.57925991      8.51928149    -13.50021750
  H     15.65411352      8.52601320    -11.73055412
  H     14.97707827      4.04683510    -11.40615391
  O     12.37841958     10.89463140    -11.51661841
  H     16.13248298      9.36395391    -10.51323843
  H     18.22164485      9.92802345    -15.61876647
  O     14.39290660      3.30711111    -13.07521748
  H     16.85228136      8.55828618    -16.76666300
  H     19.05645386     11.23020506    -15.55158936
  O     12.11610303      9.89147169    -14.18390598
  H     17.78252188      7.77705417    -15.80427186
  H     13.91400952      8.32046131    -10.67932392
  O     15.21463753      4.48618054    -10.58193934
  H     12.08431981      4.84407677    -11.45806348
  H     12.63002644      9.14270302    -10.91710267
  O     18.40379897     10.71987023    -15.08025413
  H     12.69628711      4.10581182    -12.66070630
  H     17.71239628     11.23762351     -9.71877218
  O     12.95062056      8.24585867    -10.76264916
  H     18.22808590      6.70359706    -13.60257452
  H     17.76807587     10.57882864    -11.11751846
  O     17.16505385     10.90397131    -10.42404742
  H     16.88118576      7.36981951    -13.96243694
  H     15.11748722     11.20808213    -15.05234641
  O     15.74779644     11.19620995    -14.32010429
  H     14.64410916      7.99668582    -16.56111881
  H     16.64556869     11.15828253    -14.67328265
          69
 Energy    -248.12925292081619     
  O     12.72068388     11.99878387    -15.73000032
  H     13.41316325     12.06701977    -15.06713875
  H     15.22062835      6.54382505    -17.24393231
  O     15.05292039      7.08354070    -13.46425370
  H     11.95484927     11.63496452    -15.25928378
  H     18.56738021      8.10697380    -13.68891472
  O     16.39974150     11.07773601    -11.42339884
  H     15.01341951      7.85691409    -14.04930160
  H     17.92161451      8.24241493    -12.27747412
  O     17.10844222     11.99707506    -14.91069799
  H     15.54756860      7.36840572    -12.68416347
  H     17.24672890     10.62628827    -16.06593760
  O     12.72351094      8.38971821    -16.80412267
  H     17.27963195     11.22687258    -11.79208117
  H     16.74908572      9.80817121    -17.32925067
  O     12.91644405     10.45782651     -9.15437747
  H     15.76502288     11.25853421    -12.12946271
  H     14.11491818      9.03771291    -15.70367063
  O     12.53061328      7.73951005    -12.49932369
  H     17.75856234     11.82763739    -14.21571636
  H     15.64822462      9.35882097    -15.64757871
  O     14.58282344     11.45301744    -13.52223199
  H     16.25769458     12.06446763    -14.46422473
  H     11.25314714     10.78010955    -13.31873056
  O     16.13629789      6.08845959    -15.84701254
  H     13.31239360      7.76835577    -17.25402896
  H     10.69436915      9.83077237    -14.38896855
  O     13.86741187      7.84872889     -9.96509359
  H     12.69178003      9.19848816    -17.33396317
  H     11.52261971      8.05971059    -15.53855510
  O     18.52289418      7.58217863    -15.52229440
  H     12.35438931     10.71327724     -8.42765343
  H     10.18122993      7.40722470    -15.13218468
  O     14.69284783      6.84024168    -18.00737169
  H     13.78551989     10.86493285     -8.99575549
  H     19.72536084     11.51239126    -12.56248063
  O     18.64601586      8.55081720    -12.83611654
  H     11.89414373      7.71079503    -13.22344505
  H     18.84498469     10.26310029    -12.82189808
  O     17.24329265      9.75934412    -16.49756347
  H     13.36527197      7.39969959    -12.85358968
  H     16.31853935      9.19823132    -11.29372228
  O     14.84801225      9.25450496    -15.11642747
  H     13.83126487     11.25714354    -12.94290822
  H     15.53639151      8.01463553    -10.69052950
  O     10.79990664     10.76423810    -14.17245488
  H     14.69718741     10.66456857    -14.07800190
  H     16.13830759     11.40914846     -8.26087237
  O     10.89739958      7.94498809    -14.80324782
  H     15.72169116      6.21379125    -14.98296348
  H     15.81594160     11.39864116     -9.76482052
  O     18.83815794     11.23714024    -12.77522118
  H     17.01521224      6.47929264    -15.76463975
  H     14.71091776     10.05617544    -18.51097731
  O     16.29329622      8.23334571    -11.25425343
  H     13.28264818      7.66091647    -10.71039967
  H     15.27763563      8.61849735    -18.52001406
  O     15.41942032     11.48841552     -8.88306466
  H     13.52893479      8.66254939     -9.57353340
  H     12.58045091     10.57942397    -10.98804215
  O     15.52686873      9.54790908    -18.59812602
  H     19.35273521      7.44534030    -15.97285328
  H     12.56973323      9.53784017    -12.13274445
  O     12.53267493     10.48794490    -11.94661891
  H     18.12295651      8.38298368    -15.90676343
  H     12.52496840     11.32736304    -18.78327704
  O     12.99808839     10.82136305    -18.12841173
  H     14.67785428      6.11533714    -18.62650081
  H     12.93099977     11.31631388    -17.29098480
          69
 Energy    -248.12893092328926     
  O     13.43915533     15.01637248    -15.87906172
  H     14.15379328     15.26392909    -15.26351329
  H     13.77521591      8.93662939    -15.17197283
  O     16.95110886      7.93568491    -15.71178893
  H     12.99790246     15.82476915    -16.12628997
  H     15.96189330      9.85002663    -18.05441026
  O     14.06894453     10.83708030    -11.42735575
  H     17.30102101      8.62630952    -15.13858939
  H     16.85203410      8.87492175    -17.24620771
  O     18.14106537     14.96780912    -14.62959220
  H     16.13670986      7.63519403    -15.28815250
  H     14.40471636     11.46739150    -17.85163107
  O     14.58617363      7.62748817    -14.23045334
  H     13.34439098     10.76277857    -12.06602891
  H     13.69154240     10.60129594    -18.91665740
  O     13.15320575      9.12735738     -9.41963301
  H     13.78131540     10.38140220    -10.62674289
  H     17.99671470     13.60839296    -13.33424079
  O     14.78558890      7.26758815    -10.54843726
  H     18.03020953     14.49388239    -15.47350032
  H     17.94348245     12.07465292    -13.16303186
  O     15.29434704     11.62305814    -14.72433508
  H     18.85126324     15.59173978    -14.75241961
  H     12.65548902     13.90917711    -14.46270902
  O     11.99536754     10.71978783    -13.28436241
  H     15.09895416      8.11595403    -13.56878885
  H     13.24297196     13.53719737    -13.09436777
  O     16.05337950      9.08055899    -12.35469943
  H     13.97972659      7.06080000    -13.73881707
  H     12.32367145      5.52597633    -12.47169534
  O     17.71674995     10.43672918    -14.27888367
  H     13.09223929      9.06849617     -8.47045671
  H     12.28878326      7.05278121    -12.21547799
  O     13.37091236      9.76270407    -15.47617719
  H     13.75684305      8.42016439     -9.71099622
  H     14.72780817     12.46021348    -11.84172389
  O     16.87322713      9.57234596    -17.92043309
  H     14.21581411      6.78956401    -11.16445896
  H     16.03526895     13.13752812    -12.35084131
  O     14.16376883     10.55575467    -18.08873787
  H     15.40834500      7.76642268    -11.09286403
  H     16.81655690     13.42701875    -17.13073447
  O     17.75027346     12.90620626    -12.71688129
  H     14.56828145     11.00109383    -14.86941360
  H     18.16801017     12.70119586    -16.91902080
  O     12.47224225     13.40930677    -13.65900821
  H     15.08859430     12.17645094    -13.96247064
  H     15.16664668     12.53601297    -16.24636180
  O     12.86640223      6.30953417    -12.46697860
  H     11.97798064     11.67841200    -13.42007894
  H     14.38419484     13.72473246    -16.83714000
  O     15.06679086     13.21562845    -12.34284899
  H     12.33109938     10.33465317    -14.10598815
  H     11.85200103      8.74176078    -10.82357563
  O     17.74196834     13.56735749    -16.89626425
  H     15.44147310      9.76647435    -12.04962057
  H     11.46166849      9.26054766    -12.22644213
  O     14.96102368     12.98972788    -17.07993526
  H     16.76895543      9.51738860    -12.82847646
  H     16.34659912     15.40405904    -14.28380403
  O     11.44643077      8.47847521    -11.65855659
  H     18.27429433     10.60814942    -15.04873087
  H     15.26653142     14.82856912    -13.35284819
  O     15.40537512     15.45380813    -14.07467634
  H     16.85696063     10.84219483    -14.48372517
  H     18.17657337     10.48945850    -17.27640108
  O     18.87556819     10.97340212    -16.79822530
  H     13.56265450      9.87950730    -16.41379987
  H     19.70617252     10.70409590    -17.18135579
          69
 Energy    -248.12861945127585     
  O      5.60223316      1.26299445      4.85042132
  H      5.75018770      1.95427801      5.49028277
  H      8.17079304     -1.86951380      1.60995917
  O      2.34053616     -3.90794742      0.23066529
  H      4.67339493      1.34035327      4.56203001
  H      3.29452611      3.04817606      0.79717736
  O      7.19132602     -0.57065186      0.79149937
  H      3.25618315     -3.96651518     -0.08095103
  H      3.38961226      1.53379294      0.51208476
  O      6.25278099      1.65936327      2.04767815
  H      2.26672193     -3.06199199      0.69711635
  H      4.49417507     -2.61170118     -3.81448900
  O      3.34709054     -4.75397770      2.84012946
  H      6.96556296      0.29883560      1.15699645
  H      5.10309447     -1.61397096     -4.82982963
  O      3.96334371     -4.18740280     -3.26596890
  H      6.71240564     -0.68987025     -0.03954032
  H      3.41083995     -1.63780906      1.84598143
  O      5.42426693     -1.16063882     -1.27830003
  H      6.15634606      1.55380337      3.00106642
  H      1.99202604     -1.29782677      2.38315904
  O      1.30408400     -3.68791497     -2.30323823
  H      5.38160330      1.91674868      1.72103879
  H      9.08637144     -2.51075772      5.22150955
  O      5.13347673     -1.79106354      2.25280504
  H      4.25160310     -4.85297918      2.52539341
  H      8.39910187     -2.60585570      3.83726524
  O      3.10127632      1.40650891      3.87649392
  H      2.82389458     -4.62950536      2.04001499
  H      5.20142806     -2.96492577     -0.80122046
  O      6.77762852     -5.05519454      4.41749158
  H      4.40493008     -4.27990970     -2.40988992
  H      5.49043179     -4.20596457      0.10023286
  O      8.45830368     -2.65227480      2.10292562
  H      3.02004510     -4.13887584     -3.06675768
  H      6.58409108     -1.85050980      4.99900145
  O      3.58182847      2.21962982      1.17330526
  H      4.64499700     -0.67153031     -0.97906784
  H      5.71115047     -0.55504025      5.01974615
  O      4.71968208     -1.67501848     -3.95943423
  H      5.33207189     -1.25916574     -2.23430841
  H      2.96337860     -1.13110866     -3.33209603
  O      2.48378682     -1.51673351      1.58379384
  H      1.56498988     -3.80828380     -1.37456210
  H      1.77266030     -1.86595087     -2.68916703
  O      8.24507959     -2.65868090      4.79856079
  H      0.47845897     -4.15132602     -2.41830192
  H      2.02198629     -1.59974786      4.45881546
  O      4.99306895     -3.90040702     -0.66862437
  H      5.29060733     -1.66448277      3.19805340
  H      0.60199244     -0.98498972      4.53294753
  O      5.67800093     -1.51974920      4.95628217
  H      5.81852713     -1.30622543      1.77495162
  H      3.22186343     -3.52364537      4.22574107
  O      2.15525430     -0.98993845     -2.82357970
  H      3.13526345      1.65830730      2.94521716
  H      4.03590292     -2.46406799      5.03337629
  O      1.44607030     -0.89961118      4.09889933
  H      2.48473892      0.66869429      3.95458161
  H      6.36892837     -4.73502543      2.70013241
  O      3.15194132     -2.82544283      4.89280167
  H      7.31957266     -4.30061636      4.68893176
  H      5.72751226     -3.48460082      2.01996949
  O      6.08530623     -4.37167217      1.84826030
  H      6.14972430     -5.20138756      5.12305930
  H      2.63722393     -0.15663289     -1.32672751
  O      3.05415860      0.14092876     -0.50494349
  H      7.87242274     -3.36323168      1.82312625
  H      2.75078158     -0.44117747      0.20818357
          69
 Energy    -248.12850555001668     
  O     11.45800216      6.36914568    -14.04889370
  H     11.41112302      7.33247570    -14.19365451
  H     14.54276373     10.76515924     -9.90837258
  O     19.07435697      9.35203760    -12.94192350
  H     10.63167053      6.00171825    -14.34949261
  H     17.97604358     10.22592987    -10.17901608
  O     19.20318858      7.35246132    -10.94273262
  H     19.76064911      9.93089205    -13.26380435
  H     16.76294045     10.84517007    -10.91584230
  O     16.00605653      8.20627739     -8.33380617
  H     18.53174627      9.87848514    -12.32699784
  H     16.02027285      6.02332557    -11.20638484
  O     13.22061643     11.85292527    -12.83057413
  H     19.21739089      6.51880958    -11.43827155
  H     17.32479761      6.81836031    -10.86250210
  O     16.63996655      4.89120924    -15.49657763
  H     19.25726692      8.04991074    -11.61023255
  H     13.88864374      7.94653671    -11.84448887
  O     13.56269243     10.71403903    -15.26124847
  H     16.01666169      7.56935179     -9.06153883
  H     15.39493198      7.96445652    -11.51231174
  O     14.98505869      4.92904730    -12.27946636
  H     16.90422726      8.55664903     -8.31049229
  H     12.11682315      9.56092590    -14.74815638
  O     13.84820039      9.82689324     -8.39551224
  H     12.38695055     11.49359171    -12.50079907
  H     11.16906651      9.52973558    -13.53160150
  O     17.72601416      7.35512543    -14.44721864
  H     13.86084822     11.71203193    -12.12103407
  H     18.36525828      5.97897488    -13.31322169
  O     18.68708311      9.03057251     -8.81961441
  H     17.14956248      5.69396779    -15.33015251
  H     18.23348657      4.53489831    -12.79353307
  O     14.90663740     10.92903902    -10.78615425
  H     15.71295201      5.15934843    -15.42676998
  H     15.04898130      8.55112721    -13.68024213
  O     17.70052664     10.63409090    -11.00819250
  H     13.52444830     11.37790608    -15.94418402
  H     14.72624084      9.28727257    -14.99980967
  O     16.38371444      6.74188241    -10.67194219
  H     13.49933863     11.18359601    -14.40932439
  H     17.11682997      2.31275203    -13.61136899
  O     14.69605242      8.46105390    -11.96249664
  H     15.58631521      4.20689274    -12.49877249
  H     16.86966108      3.72316825    -14.19951065
  O     11.43069497      9.03648392    -14.32004961
  H     14.72380648      5.31251435    -13.12942187
  H     12.50221145      9.06120300     -9.48540526
  O     18.72583269      5.35261753    -12.66964133
  H     13.65382599     10.12276214     -7.51029612
  H     12.06007745      7.88966214    -10.40924091
  O     15.19352345      8.52506550    -14.63966951
  H     14.61097512      9.22447306     -8.32715961
  H     13.19345892      6.00489700    -14.65004344
  O     16.94943142      3.21906069    -13.36885232
  H     18.26027191      8.04186072    -14.02876159
  H     14.46153352      6.88018278    -14.82011776
  O     11.80985636      8.76562371    -10.08948762
  H     16.86521062      7.77013318    -14.59818154
  H     12.18809627      6.40123476    -12.32699352
  O     14.14885598      5.96452722    -14.77343451
  H     18.92714780      8.35955875     -9.48156603
  H     13.40908304      5.83700645    -11.56369694
  O     12.70667921      6.49745467    -11.51678876
  H     19.45760389      9.15893989     -8.27213825
  H     11.19785797      9.87727363    -11.26224867
  O     10.88231973     10.48308272    -11.95650951
  H     14.80727622     10.08650615    -11.25910317
  H     10.05407122     10.84278319    -11.65070246
          69
 Energy    -248.12830147244691     
  O     11.45689824      8.87431609    -15.25184725
  H     12.00888880      8.24940627    -15.74457430
  H     16.27430633      5.32556370    -13.83617248
  O     15.91624344      6.64763953    -12.71831933
  H     11.83947797      9.74335716    -15.41196167
  H     14.23671587     10.63049071    -16.88801404
  O     16.39578673     10.78330182    -11.59526804
  H     15.29148719      6.59804259    -11.98351638
  H     15.75769299     10.42119060    -16.80506601
  O     16.93584091     10.26698237    -15.43340641
  H     15.53730829      7.25491960    -13.37520585
  H     15.63199248      9.00477019    -14.93503864
  O     13.57525377      4.85128283    -15.11466902
  H     15.89129773     10.59728730    -10.78999665
  H     14.40068177      8.05412481    -15.19462333
  O     14.75445754     10.03851565     -9.51149307
  H     16.91473966      9.99469401    -11.80130029
  H     10.96118350      8.23828624    -13.71840167
  O     14.08506314      6.74254731    -10.66570959
  H     17.72326696      9.72563139    -15.30512832
  H      9.77964388      7.76765860    -12.83980954
  O     14.03110704     10.56392344    -13.12504001
  H     17.03542456     11.05195139    -14.87578887
  H     18.24016387      8.18046889    -10.47483814
  O     17.43677407      6.72972066    -16.30203296
  H     13.17156409      5.00763716    -14.24692305
  H     18.99484978      8.56124406     -9.19285872
  O     15.75935789      7.53022368     -8.52439737
  H     14.50684888      4.66395271    -14.95910659
  H     12.96843369      5.76756202    -11.90551452
  O     18.97490669      8.41434611    -14.86404633
  H     15.06829528      9.24545197     -9.06093470
  H     11.79907702      6.26663145    -12.76501741
  O     16.40728908      4.70902914    -14.57697623
  H     13.91476672      9.79304697     -9.92048159
  H     16.98769051     11.92357792    -12.84065874
  O     14.99206618     10.29922568    -17.38627205
  H     14.61308351      6.89744251     -9.87369707
  H     17.33245386     13.28827190    -13.46335822
  O     14.97023351      8.43881587    -14.51587343
  H     13.59116081      7.55893454    -10.83389787
  H     18.38972810      8.50186237    -13.06192112
  O     10.72816918      7.86471467    -12.84938499
  H     14.81620370     10.80216323    -12.61741686
  H     17.23384226      7.77098292    -12.34727177
  O     18.26224511      8.04131760     -9.51505040
  H     14.26682522      9.74730513    -13.59609507
  H     15.29065070      8.67660693    -17.96203662
  O     12.43356337      5.54509636    -12.67620710
  H     16.77872188      7.02204227    -16.94359194
  H     15.53403745      7.66785928    -19.10943433
  O     17.23654529     12.36266903    -13.67046465
  H     17.05877831      5.98009455    -15.82552022
  H     11.88433623      8.69130640    -11.65111682
  O     17.90845253      8.45755736    -12.22801217
  H     15.82603675      7.20128230     -7.63156870
  H     13.05590435      9.66611647    -11.86410265
  O     15.47261121      7.74006427    -18.16047901
  H     16.66798393      7.66773362     -8.84189965
  H     12.61554818     12.20413123    -15.58761108
  O     12.64565701      9.08644114    -11.20672829
  H     19.86728034      8.38827889    -15.19866951
  H     13.32998308     11.18670881    -14.67339354
  O     12.95735438     11.31341238    -15.56163351
  H     18.46178070      7.76760516    -15.38352764
  H     13.36945083      6.31605119    -16.02667518
  O     13.33357803      7.20794255    -16.40964111
  H     16.84249710      3.93891708    -14.21977051
  H     13.96865290      7.25348204    -17.13239646
          69
 Energy    -248.12811687162443     
  O     12.33230446      8.28878310     -9.81130993
  H     12.91482200      9.05882673     -9.67788015
  H     14.53456560     10.48277340    -14.64875799
  O     16.46957522      4.00716828    -13.12009623
  H     11.60214258      8.38382094     -9.20601274
  H     14.99819386      7.08389262    -11.75413563
  O     14.18907080     12.24150916    -11.79187716
  H     16.72331636      4.66492729    -13.79359635
  H     16.19117034      7.73208283    -12.54493731
  O     16.71586789     11.31672087    -12.82732037
  H     16.77374683      3.16099625    -13.43820184
  H     14.74890867      6.08104098     -9.75675747
  O     11.69760213      8.08175449    -16.73340672
  H     13.99154131     13.17349125    -11.73245467
  H     13.40594915      6.76052639    -10.13502648
  O     16.33251669      6.46077736     -8.82960813
  H     13.68635561     11.89979581    -12.55034780
  H     17.33634134      5.65160854    -10.29739223
  O     12.69574430      6.67833944    -14.50847527
  H     16.40384547     10.92543200    -13.65496444
  H     17.33449556      4.88156321    -11.65026348
  O     12.90699585     11.03286639    -13.89605741
  H     15.93645664     11.69470437    -12.40571602
  H     14.63485313      4.41364114    -12.98702537
  O     14.17562428     10.74689685    -17.56051619
  H     11.91603230      7.49384068    -15.99758800
  H     13.70624362      5.05809650    -11.94684574
  O     17.16426981      5.97241699    -14.84116849
  H     12.40527932      7.97244605    -17.38072583
  H     19.40473033     10.56964868    -11.36690705
  O     15.04490635      7.53264647    -15.76945068
  H     16.44880168      7.38786316     -9.09795169
  H     17.96357298     10.56195031    -11.93690794
  O     15.38364703     10.22585413    -15.03369006
  H     16.60618863      6.40025755     -7.91794967
  H     18.11624590      6.89878826    -12.14431735
  O     15.31250686      7.89374804    -12.17850007
  H     12.99644858      5.89886056    -14.01774279
  H     18.37280878      8.42313391    -12.36730598
  O     14.03170265      6.07502272    -10.40304296
  H     12.55486205      7.36919452    -13.84744890
  H     17.29888625      9.40285669    -10.22690987
  O     17.84691492      5.48609281    -11.09696471
  H     12.72675931     10.19946438    -13.43213828
  H     16.01487872      8.69727848    -10.70017570
  O     13.73697434      4.74418680    -12.85989891
  H     12.37442557     11.03604284    -14.70074608
  H     14.35280628      7.98557599    -19.24203878
  O     18.60358152     10.05529096    -11.40144913
  H     13.28464737     10.90844730    -17.22624756
  H     14.14632149      9.09643289    -18.18261937
  O     18.04132955      7.62316981    -12.78752449
  H     14.74386713     10.71086072    -16.77934437
  H     14.94331004     10.01659838     -9.56634988
  O     16.48285313      9.00019981     -9.90564128
  H     17.63633060      6.59356850    -14.26950198
  H     14.06732975     11.03871342    -10.32186267
  O     14.06704966      8.13958005    -18.34606521
  H     16.45068552      6.48129980    -15.24863388
  H     11.54565000      9.79007543    -16.44939672
  O     14.04761360     10.37471731     -9.62185883
  H     14.26222017      7.19746829    -15.31007337
  H     10.75056352     11.09524629    -16.68874872
  O     11.56526094     10.75694947    -16.32732922
  H     14.80058120      7.63770573    -16.69724831
  H     13.68831093      8.49736210    -12.51252019
  O     12.73510822      8.67959048    -12.56726182
  H     15.34161216      9.27510370    -15.20766917
  H     12.39037036      8.55418076    -11.67624527
          69
 Energy    -248.12809894997775     
  O     10.63862521     11.52671162    -10.48542303
  H      9.77569966     11.91537636    -10.36547028
  H     15.63063916     12.60414697    -15.75749434
  O     14.67244130      9.53633539    -15.33921120
  H     10.91252417     11.72381392    -11.39892063
  H     15.77833456      8.61173337    -10.26821842
  O     10.76745844      8.71058463    -11.20664630
  H     14.84155592     10.11188908    -16.09466457
  H     16.85157918      9.70381496    -10.05725014
  O     13.83927285      7.12986563    -14.00938504
  H     15.27011031      9.83201045    -14.63793944
  H     14.23584891      8.92058991    -11.61626807
  O     13.16528711     11.82392781     -9.28168823
  H     11.35962928      8.32231795    -10.54466872
  H     14.39158091      7.56262981    -12.33593852
  O     14.94101461     11.64273824    -17.24996219
  H     10.63136128      9.62090564    -10.92984274
  H     13.68018766     16.48837751    -11.79295988
  O     11.03066057      7.77331029    -13.72905434
  H     12.88401217      7.25757497    -13.95322066
  H     14.07631435     15.12737729    -11.17958093
  O     12.66489919      7.79130899     -9.43664606
  H     14.16960420      7.81944137    -14.59874456
  H     17.61249306     11.73848425    -10.94653923
  O     13.90324273     10.74767414    -11.78237603
  H     13.45135053     11.09984115     -8.70715832
  H     18.89431164     10.87428714    -11.03465640
  O     16.93436099     13.31362937    -10.76643699
  H     12.24973586     11.67253915     -9.55198417
  H     14.10159820     13.52629714    -14.36054476
  O     11.64302218     11.89561915    -12.98598270
  H     14.02999658     11.95190343    -17.09689077
  H     13.37593772     14.52737926    -13.43567977
  O     15.76259743     12.95881727    -14.87096889
  H     15.10376714     11.71183224    -18.18658505
  H     13.93919125     13.37746180     -9.48416342
  O     16.21542320      9.14936904     -9.59184225
  H     10.35454516      7.11567504    -13.86828149
  H     14.54376679     14.59841431     -8.75797326
  O     14.53606112      8.00917991    -11.49145464
  H     10.92648491      8.09101269    -12.81390096
  H     16.90982048     10.66224348    -12.68321920
  O     13.95165976     15.60100965    -12.01688044
  H     13.08010491      8.36597303     -8.78602917
  H     15.37646156     10.78786431    -12.74096409
  O     17.94488293     10.83713888    -11.11313716
  H     13.32809442      7.67884045    -10.13391253
  H     12.55119310     13.06108764    -15.77605788
  O     13.22480839     13.84722161    -14.10268429
  H     13.13087339     11.06570023    -12.26429344
  H     12.08546224     11.62566249    -16.09659126
  O     14.40439158     14.21967074     -9.62322279
  H     13.81577016     11.08877595    -10.88507398
  H     14.47106039      9.46552613     -6.97615415
  O     16.17006596     10.73089948    -13.29637343
  H     16.95447254     13.87152490    -11.55828587
  H     14.99173571      9.50845530     -8.43313817
  O     12.44693992     12.42815190    -16.49714637
  H     16.12735978     13.55487870    -10.30343159
  H     15.76037687     15.28827423    -12.76760039
  O     14.22175186      9.70070263     -7.86561307
  H     11.61004383     11.23293224    -13.69071868
  H     16.42759222     14.32386317    -13.76333121
  O     16.61044298     14.90679500    -13.01381271
  H     12.14099385     12.64913056    -13.33325774
  H     12.87770176      9.87329269    -15.09595208
  O     11.93320891     10.06735761    -15.00790554
  H     15.98867054     12.20561580    -14.30459578
  H     11.51814674      9.26278319    -14.67062888
          69
 Energy    -248.12798907334883     
  O     12.43812695     10.79092212    -12.41590241
  H     11.93613551     11.59360530    -12.29998251
  H     13.79241620      6.16996461    -15.61161579
  O     14.63565609      6.23985698    -13.99832669
  H     12.69919992     10.75657196    -13.35249269
  H     19.35683708      6.86845746    -15.32934636
  O     18.55259087      8.36265293    -12.33942291
  H     14.89403018      7.14227397    -14.25228043
  H     19.39798069      5.50130082    -16.05949718
  O     19.01166081     10.26698978    -16.49863832
  H     14.21309345      6.33192795    -13.13330863
  H     16.80028916     11.38439554    -14.58733433
  O     11.54307006      8.31646147    -15.49795802
  H     18.06876954      7.58014672    -12.64052749
  H     16.13423968     11.54509874    -15.99043181
  O     15.96374566      8.38622541     -9.01159071
  H     18.67284242      8.25996085    -11.38720025
  H     14.55765336      9.28316542    -14.93531207
  O     13.67880329      6.96687848    -11.51809256
  H     18.32452565     10.84846104    -16.12696030
  H     15.86718149      8.63039958    -15.53817095
  O     16.68036011     10.30863585    -13.00039568
  H     19.53530967     10.80167686    -17.08920240
  H     17.93050469      6.11520074    -10.16711729
  O     14.67002850      8.49817882    -17.92710858
  H     12.03755638      7.57457680    -15.86223319
  H     17.42337002      5.45811232    -11.46833753
  O     14.96169058      5.71284455     -9.36757034
  H     11.38946923      8.11878821    -14.56067667
  H     11.57841618      9.01719069    -12.51528214
  O     17.17845380      8.14874439    -16.82009848
  H     15.53271251      7.52310613     -8.98720915
  H     12.04910825      7.58028955    -12.26514265
  O     13.36972993      6.32350617    -16.47214660
  H     15.48225450      8.90750351     -9.66806580
  H     19.67042117      8.44184401    -13.82419010
  O     18.80703784      6.13270350    -15.65837416
  H     14.05569114      7.85469105    -11.43431512
  H     19.79594149      9.06986375    -15.23798602
  O     16.94946765     11.68233362    -15.49461616
  H     14.00229733      6.45926155    -10.76429154
  H     16.39408255      5.96856249    -13.51010482
  O     15.32952372      8.73506877    -14.74273148
  H     17.43702878      9.78119809    -12.71093706
  H     17.83523389      5.89162891    -14.07658970
  O     17.40440091      5.38004021    -10.50518638
  H     16.18815499      9.72877495    -13.60488995
  H     19.11982567      8.06214795     -8.85143566
  O     11.38094545      8.09834568    -12.73168282
  H     15.59729893      8.28418075    -17.74808126
  H     17.65197313      8.11393886     -9.34067632
  O     20.06636921      8.31685308    -14.69807593
  H     14.15746239      7.79371148    -17.51412430
  H     14.62518367     10.22144407    -17.56121309
  O     17.32766025      5.98373439    -13.26105250
  H     14.76797485      5.01048501     -8.75316698
  H     14.50762044     11.69328884    -18.01920788
  O     18.55713974      7.85501292     -9.59225090
  H     15.82399459      5.50635018     -9.77130813
  H     15.39237186      9.91865823    -11.73908324
  O     14.65517532     11.14482682    -17.25294772
  H     17.81575679      8.87492785    -16.81361203
  H     13.87455015     10.07416950    -11.48690097
  O     14.66125901      9.59648122    -11.19482167
  H     17.64814144      7.36948578    -16.49941507
  H     13.49608724     10.84774450    -15.84018101
  O     13.11929679     10.45240687    -15.04615493
  H     13.13491891      5.46456750    -16.81583689
  H     12.49568131      9.75367249    -15.30994994
          69
 Energy    -248.12789750229257     
  O     12.20267198      8.72380332    -11.44816223
  H     12.52489181      8.11837417    -10.77277744
  H     15.52516365      6.54681615    -15.24190820
  O     14.85103870      3.47477523    -14.83660628
  H     12.75232689      9.51696899    -11.36991405
  H     15.71097619      3.89535439    -11.83010086
  O     13.10502875     11.38425224    -14.10403856
  H     14.68209241      2.60590822    -15.18979794
  H     16.99130358      4.07709868    -12.67502423
  O     15.34390090      8.98844457     -8.63918887
  H     15.35858973      3.35309223    -14.01386160
  H     14.08357262      7.84162463     -9.05609921
  O     18.02402343     10.73234414    -10.64342138
  H     12.55133295     10.60528959    -14.22380536
  H     12.85186127      7.07617027     -8.52761273
  O     11.86055981      8.77972322    -14.12943232
  H     13.45901739     11.31208872    -13.20673358
  H     20.67022088      7.67700649    -14.46571410
  O     15.00204515     12.07921570    -15.93767413
  H     15.34459765      9.92890472     -8.85273997
  H     19.24866720      7.67203839    -15.08178547
  O     14.11359579     10.74740273    -11.56960027
  H     16.26903583      8.71945933     -8.68568085
  H     13.70070831      4.71213977    -13.93190883
  O     16.93716248      6.53335986    -10.89785584
  H     18.15899511      9.90395009    -10.16495629
  H     13.58999548      6.23850373    -13.77540335
  O     18.12059375      7.70684754    -16.40073133
  H     18.13272371     10.53007042    -11.58072326
  H     14.85858039      8.10670555    -13.72807381
  O     17.95292568      5.68344109    -13.30257063
  H     11.00933363      8.44599721    -14.39856421
  H     13.53873424      8.22661862    -14.55556944
  O     16.17901330      5.87316400    -15.47670552
  H     11.90247885      8.69507031    -13.15889106
  H     14.06885482      5.25957880    -11.73636994
  O     16.25697032      3.47376701    -12.50594951
  H     14.81441553     12.93643619    -16.30843411
  H     14.10354166      5.77395023    -10.27745256
  O     13.39802864      7.19558866     -9.30116576
  H     14.28934621     11.89658349    -15.30078615
  H     18.71748973      7.86252188     -8.61084864
  O     19.74386748      7.65956508    -14.24123225
  H     14.56627140     11.22855091    -10.86810317
  H     17.72912003      7.58940234     -9.76968310
  O     13.34224223      5.40497761    -13.36254311
  H     14.69643724     10.00968554    -11.80586900
  H     16.58698733     11.43487704     -9.94003027
  O     14.43221114      7.85786035    -14.56444572
  H     16.12424240      6.01697598    -10.80453506
  H     15.91549723     12.50987755     -9.05197707
  O     14.55408516      5.18843998    -10.89932983
  H     17.36340713      6.25098654    -11.71962856
  H     18.72113283      9.10288964    -13.55364253
  O     18.06760084      8.27845306     -9.17126876
  H     17.50372327      6.97237063    -16.28183226
  H     17.55678237      9.93753297    -14.14408832
  O     15.74793899     11.69610959     -9.51866631
  H     17.58754822      8.50804765    -16.30244103
  H     16.04167267      7.92931603    -11.72756554
  O     18.06548654      9.77697254    -13.33567290
  H     17.32897661      5.74739167    -14.03992596
  H     16.57112767      9.05829054    -12.64007008
  O     15.76142623      8.63949966    -12.31515486
  H     18.69241251      6.25788296    -13.53486439
  H     15.99103768     10.62926507    -15.79376919
  O     16.39527035      9.77437790    -15.58217793
  H     15.73120957      5.01938316    -15.43274675
  H     15.67033434      9.18356975    -15.34973986
          69
 Energy    -248.12775634221671     
  O     11.69605499     11.57804710    -14.30037679
  H     12.59857727     11.77741446    -14.60424822
  H     17.04413667      6.12896275    -12.62038808
  O     18.74039365     10.51116490    -12.00405091
  H     11.18612888     12.37750123    -14.40378595
  H     16.62416920      9.77917433    -14.27018175
  O     15.09328016     10.78394890    -11.64722299
  H     18.75265992     10.31240618    -12.95140859
  H     15.34025195      8.88692596    -14.27468692
  O     11.73474839      9.17212714    -15.95855717
  H     18.22878633     11.32219948    -11.91212166
  H     14.56700428     10.20261122    -17.61653003
  O     14.61998971      7.28032749    -14.60022626
  H     15.31640221     10.37549364    -12.50059638
  H     14.39442465     11.24378782    -18.74531254
  O     15.24459219      6.12613254    -12.13582444
  H     15.65508077     11.56374153    -11.58673417
  H     12.55343054      8.73256485    -10.60873468
  O     18.44450868      8.20022441    -10.65647823
  H     11.66731462      8.52833555    -15.24035354
  H     13.80683832      8.08312442     -9.99077874
  O     14.24761698     11.85528634    -15.21806315
  H     11.61355995     10.02555028    -15.52807868
  H     18.22494162     10.34362024    -15.47491417
  O     18.55259530      7.13074515    -15.39385748
  H     14.99557500      6.78326191    -13.86341704
  H     18.58864142      8.92428867    -14.94483049
  O     15.64424303      8.33448599    -10.43643272
  H     13.69363733      7.42242377    -14.35357455
  H     15.83679700     12.81441817    -14.88289623
  O     17.44103722     11.07755637    -16.95474346
  H     14.35653586      5.79588392    -11.95832278
  H     17.22885500     12.53421392    -15.44772253
  O     17.92643439      6.44328332    -12.85588875
  H     15.36353787      6.89649206    -11.56006534
  H     17.24989073     13.67715170    -11.66583981
  O     15.67797542      9.77069070    -14.08295008
  H     19.14849172      8.10900751    -10.02014309
  H     16.99591563     12.92387873    -12.98932972
  O     14.69668937     11.13907373    -17.84693106
  H     18.58014220      9.05397081    -11.10693315
  H     13.31915307     10.36684687    -11.86422045
  O     12.84920738      7.98271629    -10.07687997
  H     14.72326655     11.10402470    -14.82918176
  H     12.06125487     10.59554615    -12.73323090
  O     18.43291690      9.83954359    -14.67641159
  H     14.29219303     11.73388859    -16.17632280
  H     17.48472204      7.83329202    -16.84499706
  O     16.77384672     13.01160733    -14.74744555
  H     19.29462467      6.59436948    -15.66259375
  H     16.15701923      8.28284974    -17.50232593
  O     17.03971400     12.81815010    -12.02306612
  H     18.30715400      6.83254075    -14.50028791
  H     12.19168913      8.46226291    -13.04147642
  O     12.44040799     10.01304814    -12.06316002
  H     16.60329133      8.24989407    -10.36436447
  H     12.06092505      6.91996569    -12.97985099
  O     17.11279651      8.39664718    -17.53529778
  H     15.48057027      9.22429653    -10.77986370
  H     12.54676469      6.48906725    -10.93310810
  O     12.06751335      7.67072832    -13.58553804
  H     17.48137896     10.14764053    -17.23440911
  H     11.95180293      5.07008108    -11.11374117
  O     12.47708685      5.73603114    -11.54858511
  H     16.57799679     11.35736675    -17.27895696
  H     14.47634396      7.99508071    -16.30496204
  O     14.20280606      8.54485187    -17.05170182
  H     18.20383873      7.00745352    -12.12391348
  H     13.28394967      8.77651830    -16.84230656
          69
 Energy    -248.12766299050767     
  O     17.76993365      4.73943692     -9.69086738
  H     16.86368820      4.41072598     -9.60091195
  H     16.92823256      7.43282581    -15.27393200
  O     18.40153315      8.28201821    -14.85205043
  H     17.75736122      5.61713339     -9.29512330
  H     11.33354651      6.64450240    -13.40550714
  O     13.66325860      8.06761136    -11.59991832
  H     18.18630688      9.00860190    -14.25881455
  H     12.43477103      5.62107326    -13.02906628
  O     10.71932125      7.31630996    -15.00894038
  H     18.89601135      7.63980336    -14.31854928
  H     16.52987876      6.79744087    -11.50341265
  O     17.91925442      7.94288956    -11.24201504
  H     12.89823719      7.56162066    -11.90376204
  H     15.57338853      5.67755303    -10.94213224
  O     19.51126112      6.51079446    -13.03656497
  H     14.40550768      7.43986377    -11.61816767
  H     18.29399386      4.21377247    -11.33123620
  O     11.52593365      4.80701635    -10.29789600
  H     11.40401870      7.95487396    -15.27834943
  H     19.10708161      3.17929176    -12.13392532
  O     12.38476727      5.21475908    -16.06890506
  H      9.88151112      7.67571071    -15.28693126
  H     13.99074714      7.15833972     -8.57401306
  O     17.23034650      7.46554391     -8.60197500
  H     17.78011822      7.99357637    -10.28799320
  H     14.18146252      8.12934388     -9.75109551
  O     12.76712589      8.90404689    -15.80695213
  H     17.68736724      8.78690061    -11.65085251
  H     15.22769393      8.31116680    -14.31446910
  O     14.23486876      6.99532929    -17.32593893
  H     19.07887733      7.01214904    -12.33005016
  H     14.38675195      8.81063927    -13.08963666
  O     16.07356024      6.97712277    -15.32829915
  H     19.27850837      5.59191910    -12.86824658
  H     17.24173431     11.07791391    -12.88502101
  O     11.82254238      6.27282669    -12.66073521
  H     11.97336091      4.01667453    -10.62446818
  H     16.35493002      9.86357677    -13.23687749
  O     15.71417207      6.30326660    -11.66459377
  H     11.46258376      5.39467707    -11.06311845
  H     12.42820715      5.35787504     -8.92081104
  O     18.51196778      3.91860660    -12.23195701
  H     11.69716441      5.83407469    -15.79550784
  H     12.62663039      5.35083421     -7.38651089
  O     14.54961513      7.87747606     -8.89491402
  H     13.00925906      5.73613329    -16.58904957
  H     17.01988957      4.24967843    -13.43429907
  O     14.86580530      9.09753826    -13.88068808
  H     17.49315153      7.78453888     -7.74269450
  H     15.98737704      5.30477815    -13.04352983
  O     17.21479147     10.12470076    -12.86676876
  H     16.27322614      7.62823314     -8.67789224
  H     14.49625933      3.71638212    -10.33851648
  O     13.05629114      5.57367534     -8.20782183
  H     13.23335019      8.35294875    -16.44925711
  H     14.42891932      4.70438557     -9.14718090
  O     16.21760010      4.67805609    -13.75112288
  H     13.42968563      9.15906590    -15.15324001
  H     13.30104218      3.25912966    -12.31065621
  O     15.03091815      4.29778807     -9.78325769
  H     14.94714644      6.97671023    -16.66258276
  H     13.13891793      1.89467438    -11.60374862
  O     13.25612921      2.82694204    -11.44018559
  H     14.65633482      7.00815734    -18.18112310
  H     14.43844625      4.30151076    -13.85460302
  O     13.47846526      4.22424139    -13.77038107
  H     16.17278230      6.12637394    -14.88395899
  H     13.09098989      4.44548513    -14.63036055
          69
 Energy    -248.12766118308062     
  O     16.37564616     11.42734347     -9.88713398
  H     17.09992761     11.76520124     -9.36668532
  H     17.93214820      5.29790348    -14.45437948
  O     11.99670792      6.48958031    -11.78013119
  H     16.71503983     10.65620894    -10.37285460
  H     14.11166164      8.39641482    -11.52784684
  O     17.67480761      8.36531719    -13.80095280
  H     12.53964304      5.75005559    -12.07845779
  H     15.38759941      9.05821405    -12.08334980
  O     13.60660223      7.80881502     -9.88127755
  H     12.44236480      6.87077168    -11.01186885
  H     14.62871202     10.81429911     -9.38329081
  O     15.72257042      9.37828993    -15.58472178
  H     17.01071708      8.76394267    -14.38038721
  H     13.17463206     11.10573893     -9.77937831
  O     14.62367247     11.60547393    -14.47556570
  H     17.50590180      7.41191246    -13.78127737
  H     14.01017113      4.57333108    -13.65558902
  O     16.51461695      5.54286884    -17.23570912
  H     14.48358089      7.47946419     -9.64989859
  H     13.30720490      3.45398858    -12.85846073
  O     11.04429208      8.04477261    -13.78465918
  H     13.56053911      8.72946819     -9.57545904
  H     13.18780220      9.98582057    -12.78247628
  O     16.05524996      5.01275146    -11.40343896
  H     14.97968289      8.77956098    -15.42969583
  H     11.77630984      9.74468162    -13.34873256
  O     13.69254005      7.70314860    -14.69924446
  H     15.44152452     10.24690392    -15.25838193
  H     16.24509383      6.23673318    -10.23474793
  O     14.78724233      5.24555494    -15.12577640
  H     14.91749331     12.09560010    -13.69408740
  H     16.75844452      6.65767376     -8.83560599
  O     17.25274067      5.60037000    -13.83917557
  H     13.73146724     11.31563655    -14.25499011
  H     19.85070252      4.59411099    -16.12565976
  O     14.49724767      8.78468691    -12.32459742
  H     16.63784289      6.46392044    -17.49684036
  H     19.26150647      6.02154557    -16.01029245
  O     13.72680547     10.48298792     -9.29115487
  H     17.37724628      5.24897113    -16.91824189
  H     16.93175606      8.39226878    -10.69996835
  O     13.63958477      4.34605125    -12.78646195
  H     10.15788379      7.77996314    -14.01274862
  H     17.46297627      8.90909433    -12.08918169
  O     12.38160807     10.44152910    -13.07175285
  H     11.32112401      7.48702546    -13.03384639
  H     16.94649412      8.86594010    -18.50667760
  O     16.33163832      6.98943378     -9.62103613
  H     15.19856628      4.72957608    -11.74260670
  H     16.56766461      8.78043414    -17.01111508
  O     19.05007254      5.07349297    -15.93290182
  H     16.60838698      5.16118487    -12.18317170
  H     15.57244779     12.41994349    -11.30277993
  O     17.09539123      9.18013470    -11.23614248
  H     12.73605669      7.79453970    -14.62691070
  H     14.13231114     12.80038673    -11.65517146
  O     17.05836455      8.33424441    -17.72273499
  H     14.04624969      7.99626905    -13.84300674
  H     18.66481936      8.02584376    -16.74169871
  O     15.03388819     12.81488496    -11.99844925
  H     15.28486693      5.24848102    -15.95664630
  H     18.96205049      8.10379650    -15.23707313
  O     19.31424133      7.77181164    -16.07275985
  H     14.35900420      6.11195261    -15.04700394
  H     12.25094989     11.65729256    -11.78983839
  O     12.35466449     12.27730785    -11.04752248
  H     16.40223307      5.47574907    -14.28434582
  H     11.57585875     12.82731539    -11.03689978
          69
 Energy    -248.12759951939296     
  O     14.03307777     14.17248909    -17.28612328
  H     14.44510198     13.32674663    -17.53263643
  H     18.28366219      9.52458054    -17.05973117
  O     17.60942371      7.54184230    -14.66892484
  H     13.66587122     14.54471106    -18.08361170
  H     15.02273380      8.45230574    -18.85260755
  O     14.31042610     11.49016939    -11.82471054
  H     18.11473783      7.93809431    -13.95058769
  H     16.04956927      8.95269646    -17.80485133
  O     15.00087941      7.54626192    -13.53972369
  H     16.73119749      7.36903555    -14.30579731
  H     18.72837086     14.34617544    -13.34774518
  O     12.88233479     10.50648669     -9.61723198
  H     13.84667651     11.31594535    -10.99644968
  H     18.44970739     12.83353797    -13.36946858
  O     14.40485502      8.25289094     -9.80892395
  H     13.69933055     11.24630648    -12.53596603
  H     13.77214589     13.70138463    -14.18079555
  O     15.99790367     11.35830823    -14.97430918
  H     14.25907775      7.21464276    -13.01924183
  H     13.23730340     13.72997603    -15.62259784
  O     12.52265936     10.87685037    -13.88428998
  H     14.63729674      8.09259738    -14.25257855
  H     17.85573897      9.18198762    -12.13499519
  O     16.14660983      9.35429765    -11.78158351
  H     12.63825774     10.73903216     -8.72579860
  H     19.28987790      8.74033813    -11.75340031
  O     18.69254576     11.23936096    -14.18824515
  H     13.41629362      9.69372137     -9.56315013
  H     12.25726609      6.17911666    -11.76985262
  O     14.21347277      9.33285798    -15.47799775
  H     13.90856537      7.65738661    -10.38485150
  H     12.31591427      7.72243494    -11.87275466
  O     17.59823147      8.85070288    -17.10289692
  H     15.14537005      8.56901365    -10.34279136
  H     16.41284438     13.65044884    -13.00728654
  O     15.13836341      9.07033745    -18.13716432
  H     15.71522656     12.11106101    -14.44214106
  H     15.08878086     12.93576005    -12.60299775
  O     18.18712511     13.66780564    -12.94869656
  H     16.92762605     11.21191780    -14.76097728
  H     17.11390018     12.63116941    -17.77905970
  O     13.01946246     13.44489757    -14.72696468
  H     12.54963495     11.77946053    -14.23559016
  H     17.56782533     13.73545449    -16.82628918
  O     18.75418844      9.04017480    -12.48286811
  H     12.96977101     10.30504356    -14.52191897
  H     15.64316635     11.71816078    -16.73891554
  O     12.86009668      6.91517954    -11.82974822
  H     15.75844348      8.72648038    -12.41045906
  H     15.22877709     10.93645965    -18.00447609
  O     15.47682946     13.55273662    -13.24126062
  H     15.61275630     10.15814575    -11.81983321
  H     11.70294061      9.83772446    -12.59507294
  O     17.90556578     13.06426743    -17.43506902
  H     19.11361750     11.08984290    -15.04484596
  H     11.79369087      9.75131334    -11.05603463
  O     15.38864537     11.82582302    -17.66911754
  H     18.83282832     10.46335242    -13.63081280
  H     15.60234697     14.76887826    -16.31463594
  O     11.50968334      9.26540891    -11.83922768
  H     14.87631406     10.00288579    -15.24342060
  H     16.14884892     14.52557511    -14.90495441
  O     16.41291437     14.79593139    -15.78973309
  H     14.35575844      9.13632137    -16.41066263
  H     18.99756580     11.77645612    -17.07527203
  O     19.52098017     10.99299013    -16.82385912
  H     17.64073770      8.35025047    -16.27395872
  H     20.33431725     11.03256416    -17.31928603
          69
 Energy    -248.12755578116833     
  O     17.74393593      4.34972069    -10.69682472
  H     17.04393473      3.69795336    -10.57982082
  H     12.02578171      8.05710490    -14.31973531
  O     14.61271147      8.42376087    -11.76345857
  H     17.83981411      4.50385438    -11.64549386
  H     14.17472083      5.43390997    -10.60941870
  O     15.41442720     10.29907444    -15.60694301
  H     14.43700989      7.47287465    -11.67203555
  H     14.40645133      5.23731877    -12.14977619
  O     18.10653546      6.82786729     -9.64523158
  H     14.28197054      8.82313463    -10.95059457
  H     12.90792141      2.67884306    -12.36758078
  O     14.47786706      4.74363117     -8.96968830
  H     16.22699921      9.82978482    -15.34959106
  H     14.34098597      2.94881527    -12.83939757
  O     15.58259820      2.47494458    -10.18876514
  H     15.69109926     11.15489836    -15.92128694
  H     13.62823309      9.72989280     -8.59990886
  O     13.69861412      8.59952040    -14.35611259
  H     17.97854166      5.90909552     -9.94324356
  H     14.34884832      8.38547248     -8.86166678
  O     11.95331461      4.75329016     -7.93836672
  H     18.94719510      6.85437706     -9.19565665
  H     12.12529310      7.78853207     -9.22310386
  O     17.55340100      8.78849030    -14.82316189
  H     14.82873995      3.88460993     -9.23093855
  H     11.24416586      6.87555908    -10.11257675
  O     17.18401654      6.18934836    -16.00855189
  H     13.60560138      4.62223723     -8.56461976
  H     16.40457692      8.15083192    -12.00677981
  O     17.74997081      5.38974655    -13.34224793
  H     15.78901433      1.59175318     -9.89404404
  H     17.67169177      7.65603672    -11.26774682
  O     11.14732908      7.64510644    -14.24789148
  H     14.92149321      2.38413054    -10.89777896
  H     15.20615330      6.34190962     -8.49821111
  O     13.99546882      5.80265065    -11.48453652
  H     14.01338440      8.61594817    -13.44105288
  H     16.45580151      7.19272813     -8.78261767
  O     13.81808969      2.38652985    -12.24809844
  H     14.20670848      9.26197350    -14.84645034
  H     12.26466950      6.05404859    -11.72701486
  O     13.65348213      8.98416524     -9.19336347
  H     11.70330210      5.60879798     -8.32855372
  H     11.18213001      6.73308472    -12.62037299
  O     11.42262589      7.12857915     -9.19733610
  H     11.42659095      4.65945460     -7.14957594
  H     14.86750043      4.93307432    -14.26978923
  O     17.32452215      7.88246997    -12.13959449
  H     17.59143199      8.57747013    -13.88132023
  H     16.11987831      4.61884289    -13.42480171
  O     15.56151089      7.23950142     -8.42649378
  H     17.52695551      7.94288499    -15.28645925
  H     11.17951479      4.43266771    -12.41876450
  O     11.30730871      6.15719220    -11.85601342
  H     17.41110307      5.90781465    -16.89126315
  H     10.41110349      3.13565321    -12.74187840
  O     15.19261555      4.37854479    -13.54934833
  H     16.21397316      6.16751368    -15.95083155
  H     11.55029779      5.91156625    -14.99174882
  O     11.25335074      3.56985786    -12.85775782
  H     17.61273672      6.25371560    -12.92446498
  H     11.75625689      4.45029761    -14.55794921
  O     11.96259628      5.07953391    -15.25832385
  H     17.75130929      5.55423143    -14.29316184
  H     14.26723089      7.03416205    -15.17092415
  O     14.45497816      6.16968166    -15.56139827
  H     10.51818884      8.27852774    -14.58303815
  H     13.60308272      5.71304624    -15.63210999
          69
 Energy    -248.12746647944854     
  O     10.18371390      5.04121129    -12.57677433
  H     10.73760426      4.47199102    -13.12415326
  H     16.43358481      5.56957671    -13.79699960
  O     13.84191051      5.33055659     -7.77275701
  H     10.33845539      5.93732583    -12.89878347
  H     14.79511549      5.86099499    -12.45094443
  O     16.32137703      8.81529004    -13.65845733
  H     14.14517378      5.26828455     -6.87041649
  H     14.01497373      4.75077655    -11.69401960
  O     17.79935158      4.54774018    -13.01879582
  H     14.54677581      5.77642256     -8.27144378
  H     10.11327577      4.75525024    -10.85397091
  O     15.90820248      9.22077283    -10.08405141
  H     15.52534634      9.12336633    -13.20140494
  H      9.23018342      4.28905913     -9.67603899
  O     12.00224706     10.05211073    -14.25710479
  H     16.28698399      9.12856721    -14.57471108
  H     15.08476380      9.19133044    -16.36061887
  O     11.52868777      6.76726289     -8.71977161
  H     18.65180164      4.43358381    -13.43075873
  H     16.25283446      9.85490512    -17.11267602
  O     13.08345696      6.07503915    -15.01177659
  H     17.93277660      5.12053436    -12.24066296
  H     12.15022936      7.50794802    -10.22235468
  O     16.27537702      2.42399705    -11.94830495
  H     16.76164691      9.23020937    -10.53451198
  H     13.13990919      6.93163465    -11.27151318
  O     18.06621512      6.19782231    -10.91416113
  H     15.27080397      9.55108962    -10.72779650
  H     17.62377029      8.88709574    -12.48755377
  O     15.67605561      6.54376356     -9.41379528
  H     11.29252544     10.68353332    -14.34379656
  H     18.90886674      9.55305935    -11.93886707
  O     15.67829918      6.13699484    -13.99228060
  H     11.59557058      9.20997194    -13.98884467
  H     13.53705683      8.99414896    -11.78065344
  O     14.31858599      5.66398262    -11.63441225
  H     12.27613617      6.33085716     -8.29275086
  H     13.44598426      9.98892618    -12.94847425
  O     10.10871127      4.58839085     -9.89525816
  H     10.96378920      6.05812096     -9.05408674
  H     13.25729135      7.70317497    -16.01109626
  O     15.99635335      9.51674977    -16.25983127
  H     14.01122791      6.06673994    -14.73583328
  H     12.92566888      9.17588591    -15.68802959
  O     12.55371056      7.67960980    -11.08337498
  H     12.73937680      5.19026758    -14.83734210
  H     13.07124619      3.93649710     -8.84393325
  O     18.24670649      8.89661186    -11.73950431
  H     16.80399687      2.06008467    -11.24094860
  H     11.72391209      3.69326413     -9.55291737
  O     14.05175800      9.64608952    -12.28174765
  H     16.80895485      3.12968933    -12.34107663
  H     11.86984913      7.03865659    -14.01780448
  O     13.42566371      8.61153666    -16.29067611
  H     18.24294467      7.11501614    -11.16033357
  H     11.61880441      7.59490777    -12.58417031
  O     12.61530797      3.33579909     -9.44533823
  H     17.34281713      6.23090998    -10.27560902
  H     12.62173521      3.30460488    -13.37732175
  O     11.23868991      7.53476851    -13.47552150
  H     15.22700497      6.19122063    -10.19787157
  H     11.89376263      2.77250035    -14.63406993
  O     12.07719349      3.56770301    -14.14026995
  H     15.70337186      7.50654940     -9.52014835
  H     13.23893855      2.97674883    -11.04596646
  O     13.57643520      2.98578254    -11.95568123
  H     15.96987920      7.05686403    -13.91592630
  H     14.49751295      2.69010221    -11.95123742
          69
 Energy    -248.12723563111257     
  O     11.89715306      6.13940309    -12.78763113
  H     12.40401314      6.43774725    -12.01792686
  H     14.47102392      6.29492488    -15.58522642
  O     16.97092710     10.14302567    -12.14558992
  H     12.38277530      5.37932682    -13.12728262
  H     16.37679300      5.92926591    -14.50393965
  O     17.62611862      8.89885132    -14.47070354
  H     17.36912410      9.71308103    -12.91645948
  H     17.25917984      7.12210451    -14.03659594
  O     16.10245527     12.76305541    -12.70764975
  H     16.74921953     11.04773064    -12.40497266
  H     14.36161934      8.06743962    -12.10094340
  O     13.71233756      6.94536979    -10.87124273
  H     18.38054246      8.73990934    -15.05544386
  H     15.43253632      9.14261863    -12.51179711
  O     15.56504975      9.70462077    -16.22483526
  H     16.90328721      9.21549592    -15.02873357
  H     13.46506002      9.70432711     -9.49567260
  O     14.42099450     11.71671836    -14.74763524
  H     15.64748054     12.76549805    -11.84628785
  H     14.93484554      9.41275183     -9.13717956
  O     16.83069402      5.80498617    -17.59844350
  H     16.59095064     13.58001700    -12.76534314
  H     13.54271502      3.14916864    -13.88781953
  O     11.09693537      8.19922993    -14.32998191
  H     13.86226510      7.54338906    -10.12616642
  H     14.14116541      4.47088239    -14.41932108
  O     15.59544515      5.15197506    -11.75270973
  H     14.44297142      6.31512118    -10.95849875
  H     13.28113084      9.81745680    -12.93729979
  O     13.74089910      7.88286549    -15.26428699
  H     15.22747244     10.51291534    -15.81191346
  H     11.85271961      9.75257586    -13.50105053
  O     14.97068599      5.46596394    -15.62166350
  H     14.89326406      9.02923589    -16.05457429
  H     18.45577304      5.60360939    -15.07699041
  O     17.13905565      6.16619707    -13.95626361
  H     13.65020126     11.38981345    -14.26930352
  H     19.61042759      4.69635768    -15.55715572
  O     14.63705893      8.68091760    -12.79680829
  H     14.97384106     12.15547782    -14.08912886
  H     16.81345385     10.15787849    -10.37045569
  O     14.04992896      9.02785259     -9.13346421
  H     16.92197997      6.72399705    -17.87875305
  H     17.38952296     10.16695496     -8.93571259
  O     13.69747284      4.06169992    -13.65682208
  H     17.65149505      5.58620333    -17.13971787
  H     17.12085137      9.05980582    -18.99172370
  O     12.47793912     10.34701439    -13.06935952
  H     11.31878622      7.44445759    -13.75219393
  H     16.60142836      9.06298400    -17.53795656
  O     19.05569455      5.42602772    -15.82049933
  H     10.22311630      8.03578406    -14.67306361
  H     14.05713673     12.10342954    -10.28737770
  O     16.58690853     10.29462882     -9.43490619
  H     16.25161733      5.50448439    -12.36636774
  H     15.50630343     11.83518853     -9.83195121
  O     17.18976931      8.60090736    -18.15806205
  H     14.96825086      4.66382438    -12.30152531
  H     19.47587955      7.24657134    -16.28305438
  O     14.94683250     12.47915117    -10.28431624
  H     12.78868716      7.98480777    -15.15682287
  H     18.79990652      8.35462641    -17.11640527
  O     19.43964660      8.20352153    -16.40827654
  H     14.12847004      8.10175112    -14.40072885
  H     12.38896248     10.87666229    -11.35612464
  O     12.47290323     11.10567473    -10.41617238
  H     15.53927104      5.49968871    -16.40443911
  H     11.60347721     11.36144209    -10.11739747
          69
 Energy    -248.12707565642935     
  O     13.15289223     12.28348303     -8.36397775
  H     13.06528499     12.26191318     -7.41447768
  H     10.05943042     11.80289851    -13.62464258
  O     11.96428529      9.89701879    -14.96423201
  H     13.66894550     11.49513176     -8.61430717
  H     16.12243753     12.62423399    -17.70840716
  O     14.44766726     10.06081861     -9.20797459
  H     12.56364631      9.98648204    -15.71872737
  H     15.33198913     12.83158817    -16.39474517
  O     17.84845682     14.29375730    -13.15542743
  H     11.58014306     10.76380559    -14.77479356
  H     13.01551604     13.10217289    -12.44716024
  O     11.30025369     11.70831924    -10.41423153
  H     15.31963112     10.04526598     -9.62009503
  H     12.46609012     14.48061909    -12.01866402
  O     12.46556429      9.24228310    -11.05530509
  H     13.84553307      9.59014823     -9.79829252
  H     11.12547165     14.19889598    -16.77517820
  O     14.15334891      9.57742443    -13.23348729
  H     18.73610749     14.63077421    -13.23878607
  H     11.25486762     13.27182971    -15.55583939
  O     13.49567765     15.97201705    -11.57782218
  H     17.79309222     13.50340381    -13.72497358
  H     15.22185086     12.48619703    -12.36474987
  O     10.67284755      8.35374767    -13.06938004
  H     11.78365589     11.91302226     -9.60450881
  H     14.41965120     11.35354691    -13.06809039
  O     14.37191890     13.79494071    -15.31015986
  H     11.54877557     12.40331724    -11.04113492
  H     17.44385518     11.23598034    -14.16188332
  O     14.01384246     10.02482384    -16.80398751
  H     12.05524830     10.09409466    -10.84267889
  H     17.10915142     12.02042911    -15.45225105
  O     10.70134065     12.28659816    -14.16284438
  H     11.83637099      8.77507641    -11.61809183
  H     17.81180562     10.24242744     -9.86257799
  O     15.83769848     12.18053282    -16.91322539
  H     13.67885904      9.40960887    -12.40784491
  H     16.91114033     11.23836882    -10.63128484
  O     12.19719731     13.58348951    -12.24463308
  H     13.47745930      9.63488766    -13.92039824
  H     17.08172444      9.82601592    -12.27130631
  O     11.76452463     13.80150027    -16.18947897
  H     13.27001501     16.89334324    -11.48385161
  H     16.00878996      9.56238470    -13.32936959
  O     14.48533232     12.31073637    -12.96268831
  H     14.18944489     15.92201549    -12.26029506
  H     15.99981083     13.41859596    -10.56495021
  O     17.62599025     12.05810456    -14.64147885
  H     11.10258761      8.81418980    -13.81011365
  H     17.07728774     13.43537933    -11.71708815
  O     17.02694597     10.29859769    -10.40235984
  H     10.32530778      7.53705551    -13.41853312
  H      9.82711918     11.08228023    -11.52094946
  O     16.94717084      9.76942844    -13.22461841
  H     14.40044937     13.25417345    -14.50594080
  H      9.62610940      9.89376874    -12.48092821
  O     16.56031047     12.86725789    -11.13360089
  H     13.45598385     13.84317184    -15.62012870
  H     15.01526556     15.18938640    -14.24783282
  O      9.32585469     10.79136308    -12.29422582
  H     14.53907953      9.24158393    -16.95878143
  H     16.26269008     15.32894743    -13.36421385
  O     15.38331800     15.69689602    -13.51193552
  H     14.63513707     10.76481893    -16.85663453
  H     14.14820169     13.68026063     -9.21987193
  O     14.77505859     14.26856702     -9.65844296
  H     11.20193989     12.83409701    -13.53964761
  H     14.26682482     14.87870703    -10.20606649
          69
 Energy    -248.12679766595903     
  O     11.80430544      7.64971320    -15.02041581
  H     12.57323124      7.33590433    -15.51511006
  H     17.38245420      6.55776005    -13.74833538
  O     16.80764773      7.40869008    -12.31384478
  H     11.73199075      8.59626774    -15.18792961
  H     18.89602210      9.08264153    -13.67831545
  O     15.77060545     11.70416120    -12.81157277
  H     17.24882143      8.25491793    -12.15698035
  H     18.83395875      7.76036561    -14.49337742
  O     16.20860358     10.83095075    -15.41623454
  H     16.22679359      7.22666710    -11.56474603
  H     14.22098397      9.86903584    -17.63706428
  O     15.21873809      4.56132094    -14.66973406
  H     14.87457933     11.33426951    -12.79962736
  H     14.75411410     10.77875889    -16.52313715
  O     14.03488779     10.12891172     -8.84444575
  H     16.03171152     11.67427914    -13.74133905
  H     15.65673328      8.13243882    -13.51500030
  O     14.96206231      6.97168242    -10.32415329
  H     17.01557317     10.63217752    -15.90738925
  H     14.77879506      7.96708891    -14.79319643
  O     13.35251255     10.36598013    -13.05891709
  H     15.91570560     10.00127006    -15.00655455
  H     11.59248761      7.04243157    -13.41368138
  O     16.71580133      7.59016869    -16.96933740
  H     15.11666979      3.62186583    -14.79758387
  H     10.65557472      6.29789484    -12.43347901
  O     15.94041700      8.35647244     -8.07756540
  H     14.80125164      4.77279121    -13.81525342
  H     17.05071356     10.90289423     -9.56472042
  O     18.45227774      9.89003852    -16.76931344
  H     14.47339646     10.86574998     -9.28750393
  H     17.22876077      9.49072488     -8.98381635
  O     17.58422493      6.20041559    -14.62787537
  H     13.47730757      9.69528233     -9.50383584
  H     13.09845773      5.65576340    -12.43241736
  O     19.19222167      8.65554529    -14.49282188
  H     15.34978288      7.28453795     -9.49788194
  H     14.38042599      5.65138914    -11.58785477
  O     13.95875771     10.56113563    -17.03251300
  H     14.23349100      7.57539609    -10.53008676
  H     18.05241252      9.97285577    -11.23451905
  O     15.09316582      8.60370719    -14.14060043
  H     12.70606936     10.55365557    -13.74872642
  H     17.27453248     10.50394705    -12.45909758
  O     11.51831171      6.69780044    -12.50549068
  H     13.93588076      9.67851364    -13.42562896
  H     15.74477986     12.08518022    -11.05335637
  O     17.67940988     10.17311664     -9.49497944
  H     17.08747743      7.11742187    -16.21016603
  H     15.68804059     13.07935788     -9.87553544
  O     13.96839447      5.24411335    -12.35919969
  H     17.27170211      8.36811639    -17.08045437
  H     12.96158855      9.34214098    -11.63660268
  O     17.97479910      9.89486217    -12.19824883
  H     15.94243286      8.18996199     -7.13876414
  H     12.26407568      7.99621214    -11.36791879
  O     15.66903912     12.14887136    -10.08765511
  H     15.23033377      9.00233825     -8.24895586
  H     12.52777369     10.56084004    -16.01913188
  O     12.81251839      8.67342422    -10.95242941
  H     19.19602776     10.18095744    -17.28890009
  H     11.08193361     11.03871513    -15.74949090
  O     11.78312932     10.49820924    -15.39541778
  H     18.81488669      9.47082470    -15.96670141
  H     15.04485360      7.08355672    -16.58572615
  O     14.25482769      6.78685564    -16.10729563
  H     16.93523524      5.49652654    -14.74456259
  H     14.49297548      5.94746595    -15.69040901
          69
 Energy    -248.12664835308919     
  O     14.63027235      9.47378587    -10.29034898
  H     14.44713424     10.16509436    -10.94170201
  H     16.39431685      4.44701966    -11.16556451
  O     13.02668714     10.88125266    -15.93119138
  H     15.42579392      9.70997715     -9.79501282
  H     12.48056576      7.12134972    -10.66842062
  O     16.79113023     10.93006008    -13.52920257
  H     13.05488663     11.69289085    -15.40928352
  H     13.49104690      8.02435840     -9.92900949
  O     13.72278033      4.95505485    -12.85129326
  H     12.78252472     10.17982177    -15.31396255
  H     19.12482037      6.78339544    -15.87284309
  O     17.30206772      6.98014007     -8.86234064
  H     17.41801865     10.80431731    -12.80233539
  H     17.98652952      7.75349138    -15.48368300
  O     16.02715725     12.86952990    -15.39630433
  H     15.90155012     10.90273918    -13.15480039
  H     14.46017575     13.17190966    -14.66575053
  O     15.97850330      7.74582314    -12.01619038
  H     14.16455180      5.05884478    -11.99886230
  H     13.27595721     14.05156644    -14.19422915
  O     14.13381012     10.97245499    -12.55497369
  H     14.43386768      4.87232085    -13.49356841
  H     12.25898469      8.30562906    -13.37979613
  O     18.70322629      7.70087795    -12.50112739
  H     16.51943519      6.47585517     -9.10005017
  H     13.52762385      8.42458408    -14.24403950
  O     18.46725440     10.30798742    -11.46424175
  H     18.02957227      6.55406523     -9.34005751
  H     15.19008867     10.89194342    -18.25119291
  O     16.35063497      5.16556984    -14.26235107
  H     15.91054070     12.29813129    -16.16425175
  H     14.50126405     10.77986470    -16.87125161
  O     17.02754803      3.98593906    -11.74013507
  H     16.46056317     12.31802747    -14.72866240
  H     10.85242419      6.34463040    -12.48126502
  O     13.04687591      7.16532394     -9.88928369
  H     15.51685591      8.39085862    -11.46437525
  H     12.36742677      6.11048430    -12.66819138
  O     18.41963082      6.91675633    -15.24378043
  H     15.56354662      7.74111345    -12.88668895
  H     15.58819037      6.32528815    -11.02551041
  O     13.57725518     13.14945164    -14.25438974
  H     13.62085567     10.26917737    -12.98029000
  H     14.40406572      6.01180766    -10.09144873
  O     12.78073667      8.93406212    -13.89148476
  H     13.88347990     11.79677679    -12.98943522
  H     18.55184311      5.01061249    -10.98251121
  O     15.36640506     10.79826192    -17.31889893
  H     17.75623817      7.72792614    -12.28806205
  H     19.12255628      6.40930929    -11.24219149
  O     11.70078847      6.77919700    -12.43430663
  H     18.76296664      7.43172703    -13.42338882
  H     15.65722926      8.14819093    -15.08909243
  O     15.21061288      5.62545847    -10.46548404
  H     18.75978458      9.44371869    -11.78430686
  H     15.37824415      6.68702116    -14.61834822
  O     19.07674748      5.70848816    -10.57604206
  H     18.06806162     10.15087278    -10.60044439
  H     17.21268443      8.72082216     -8.91368023
  O     15.00886884      7.57901167    -14.65302026
  H     16.66446366      4.74589588    -13.45049478
  H     17.37826342     10.06548135     -8.16891570
  O     17.11103509      9.68577522     -9.00201333
  H     17.11497320      5.62310160    -14.63696789
  H     16.51670202      9.71806341    -16.36207914
  O     16.98754961      9.22998810    -15.67444649
  H     16.95195901      3.05609507    -11.53591623
  H     17.01558123      9.80638194    -14.89422820
          69
 Energy    -248.12663645726801     
  O      1.80560856     -0.38138808      2.33487764
  H      1.27936878     -1.05775877      2.79808667
  H     -3.64345117      4.89118644      2.91251453
  O     -4.98103218     -0.11277106     -2.14307565
  H      2.71347214     -0.67131906      2.36460276
  H     -2.21438812     -0.72568150      5.44330523
  O      0.20356901     -2.15894673      3.58255080
  H     -4.25811274      0.49422662     -1.93689247
  H     -0.87622878     -0.14077474      5.88267981
  O     -6.85811616     -0.59948344     -0.23413796
  H     -4.56307043     -0.95922300     -2.34361921
  H     -0.75792676      3.47930659      0.85337389
  O     -3.69500935     -2.68436387     -2.26801075
  H     -0.29671514     -1.81666409      4.33536546
  H     -0.35404831      3.18526293      2.31288102
  O     -1.61178860     -1.21346769     -1.08059641
  H     -0.44099167     -2.35094864      2.88761415
  H     -3.95956237      2.58654563      1.85092627
  O     -2.87268776      2.50521363      5.32500212
  H     -6.22048992     -0.35380089     -0.92841165
  H     -4.58377824      1.15531921      1.62164204
  O     -3.90867565     -2.84689509      5.02719036
  H     -7.72684765     -0.42312541     -0.58521616
  H     -2.50104968      1.01580812      2.01776506
  O      0.40811079      1.83959831      3.29428975
  H     -4.29872050     -2.92609561     -1.54249199
  H     -1.14020076      0.97064567      2.78902992
  O     -2.79065775      1.34612934     -1.15323217
  H     -3.75599063     -3.37870364     -2.91837078
  H     -6.05683668     -2.38369971     -0.23049427
  O     -3.85887166     -0.03211412      4.47119116
  H     -2.21146408     -1.79809959     -1.56072502
  H     -5.07339415     -3.18150218      0.64665695
  O     -3.34601699      3.98543802      2.93197589
  H     -2.02835406     -0.33933074     -1.09236183
  H      0.03696766     -0.37759022     -0.53518670
  O     -1.31245928     -0.97547320      5.66712579
  H     -3.04374474      3.06815698      4.55961579
  H      1.03704161     -0.01514680      0.60018324
  O     -0.93402241      3.73421717      1.76676227
  H     -3.38734654      1.70183642      5.18074662
  H     -1.25129692      2.06236837      5.80666048
  O     -3.98090144      1.82126243      1.26291727
  H     -3.06284860     -2.98221083      5.45641141
  H     -0.05708673      2.12659629      6.79032992
  O     -1.93387468      0.46745007      2.57447912
  H     -4.00928276     -1.88717115      4.96532377
  H      0.08389104      1.87859406     -0.60430617
  O     -5.44625681     -3.12983710     -0.24445176
  H      1.00735732      1.13335801      3.01859648
  H      0.20162452      3.14610367     -1.48387257
  O      0.66707286      0.28991824     -0.23555285
  H      0.29577271      1.79073562      4.25250162
  H     -1.64360593     -1.91203905      0.60112393
  O     -0.36264537      1.70676588      5.99056993
  H     -2.00612260      1.90646491     -1.17065483
  H     -1.75313411     -1.17297586      1.94663463
  O     -0.34630473      2.72464678     -0.82691848
  H     -3.26238571      1.56207440     -0.33441436
  H     -4.21606886     -3.04061242      3.19690808
  O     -1.71291115     -2.05920394      1.55275432
  H     -3.11300751      0.11279372      3.86405509
  H     -3.34374729     -2.64207399      1.98079137
  O     -4.25483513     -2.82113461      2.25785406
  H     -4.63860360     -0.04451771      3.90156171
  H     -5.06920245     -1.17608784      2.21418859
  O     -5.51438601     -0.31516030      2.20596138
  H     -2.46821512      3.96595369      2.50603992
  H     -6.11201372     -0.34379933      1.44726985
          69
 Energy    -248.12658041431408     
  O     13.49107394     13.92324707    -15.41419760
  H     13.10440724     14.31249199    -16.19371381
  H     14.03457313      6.65319837    -14.80262244
  O     16.80116079      6.35219751    -13.21392512
  H     13.76214242     13.02499186    -15.66603327
  H     17.58268576      9.59474204    -14.03225306
  O     19.00154342     10.42475849    -10.86791447
  H     16.98289064      6.52452779    -14.14378487
  H     19.09933924      9.77386270    -14.27123320
  O     18.43502304     12.76869416    -14.61489743
  H     15.91836595      5.96223107    -13.19530023
  H     16.63258073      8.75081265    -19.29637897
  O     14.05907708      5.50089877    -13.31844033
  H     19.45349292     10.59425004    -11.70300141
  H     15.55245277      8.96451523    -18.20982939
  O     14.96888065     10.81575376     -9.64732985
  H     18.55931950      9.56867277    -10.95035414
  H     16.39274380     11.06774529    -12.73338491
  O     13.39666642      7.53976094    -11.68345078
  H     17.96084825     12.41149822    -15.37369013
  H     16.59702101      9.58051890    -12.23077917
  O     14.06661199     14.10413715    -12.77222500
  H     17.77321852     12.92029304    -13.92452260
  H     15.28365084     11.28528667    -16.04304067
  O     13.90485320      9.10767252    -17.62104190
  H     13.60066902      4.69265439    -13.10746270
  H     14.09979290     10.81091706    -15.14060526
  O     15.07904371      8.15395484     -9.48822105
  H     13.76883855      6.16992087    -12.67163613
  H     16.59621762      8.09597982    -10.56682929
  O     16.94515153      7.39863215    -15.95636481
  H     14.34861135     11.12016966    -10.32641071
  H     17.19495561      7.53008263    -11.89329198
  O     14.19905764      7.39983297    -15.39118539
  H     15.74516034     11.38341624     -9.68988310
  H     16.85606370     12.85887607    -11.59652572
  O     18.30874164      9.35809249    -14.63158063
  H     13.39537442      8.33275533    -12.22963450
  H     15.74087108     13.35207611    -12.57704709
  O     16.51278960      8.91794095    -18.36552452
  H     13.92657504      7.74168534    -10.90182530
  H     19.62502843     11.72885153    -13.84117739
  O     16.29072522     10.13524277    -12.96202345
  H     13.72699477     14.91953620    -12.41246142
  H     21.08748239     11.29329254    -13.58134546
  O     14.32912841     11.36140010    -15.90012385
  H     13.84343432     14.09964371    -13.71920335
  H     17.79717548     12.81969800     -9.18983055
  O     17.28428749      8.23159395    -11.23037478
  H     13.88075791      9.95417778    -17.15708164
  H     18.00687528     11.66470637    -10.19969174
  O     16.58181153     12.88122232    -12.52323882
  H     13.81809613      8.43151842    -16.93496008
  H     16.94523688     10.44555069    -17.26528890
  O     20.18041281     11.05071542    -13.41575296
  H     15.01813642      9.12803812     -9.48086665
  H     17.53737019     10.47845401    -15.85335988
  O     17.38375541     12.35846984     -9.91422601
  H     14.95281190      7.86154379     -8.59003756
  H     13.24591871     10.95528950    -12.44660411
  O     17.04934377     11.01605887    -16.49390170
  H     17.52309763      8.02215380    -15.48963300
  H     13.43367021     12.44301876    -12.08047986
  O     13.26741919     11.57036033    -11.70474946
  H     16.88230160      7.74172441    -16.85562959
  H     13.81829561      8.82866182    -14.32137321
  O     13.77854700      9.60002651    -13.73865619
  H     15.15275860      7.40186032    -15.56231593
  H     14.68795688      9.76216236    -13.43201632
          69
 Energy    -248.12655340590783     
  O     15.57914341     11.98067354     -9.36712668
  H     16.00270691     12.13066682     -8.52614152
  H     10.13425002     12.26913221    -12.26146866
  O     10.90348859     10.19951327    -14.26397644
  H     15.87355162     12.69483148     -9.96125148
  H     14.08641939     14.00537725    -17.34057151
  O     15.99351722      9.62134309    -10.96778211
  H     10.93787239     10.32842762    -15.22032518
  H     14.55814045     14.35872431    -18.77316408
  O     16.88329023     12.58577069    -13.51814394
  H     10.77122531     11.07359518    -13.86614021
  H     13.25190532     13.37871253    -12.73574071
  O     12.87330523     11.87529581    -10.15576681
  H     15.08924326      9.28434127    -10.92488647
  H     13.28199129     14.72651614    -11.99748337
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  H     15.98893547     10.40566917    -10.40600247
  H     10.72431349     12.59696093    -16.24724771
  O     13.61206574      9.76261717    -13.79669875
  H     16.84682343     11.61949454    -13.52621647
  H     10.36246005     13.25988990    -14.89889502
  O     14.71896577     15.98428325    -12.16770967
  H     17.02368896     12.88191585    -14.42762837
  H     15.04740575     12.59281231    -13.79876671
  O     10.51442394      8.70881293    -11.95581083
  H     12.81910114     12.62404695    -10.76602554
  H     13.91033488     11.54180017    -13.94898127
  O     13.18320245     14.26561687    -15.87687636
  H     13.75016530     11.92285443     -9.75320729
  H     16.19235928     13.52509597    -16.90930733
  O     13.98863989     11.06932943    -17.40032717
  H     13.04099488     10.17681666    -10.76763998
  H     16.85343356     12.28289264    -16.32212832
  O     10.46064577     12.68557974    -13.07260457
  H     12.28296375      8.92063659    -11.26990875
  H     12.26755814     10.90748266    -17.08030896
  O     14.69766590     13.74830449    -18.05440859
  H     12.70062272      9.82497136    -14.10636552
  H     10.92553368     10.52039022    -17.73870918
  O     12.77442830     13.91237550    -12.08059938
  H     13.54820240      9.56927227    -12.84898805
  H     15.41980840      9.71036237    -13.85863879
  O     10.57456895     13.45026661    -15.82241784
  H     14.99640014     15.89678541    -13.09615422
  H     16.44495871      9.67735111    -12.72189139
  O     14.10631352     12.48571319    -13.98407400
  H     14.74215181     16.91554651    -11.96330744
  H     16.63667280     10.10761282    -15.42689327
  O     16.81115126     13.24457439    -16.22319740
  H      9.91169772      7.97660806    -12.05846998
  H     17.20431547      9.79073557    -16.82522685
  O     11.30713311     10.85810391    -16.93220550
  H     10.57771385      9.14288064    -12.82285424
  H     10.13092124     10.36777606    -10.97398439
  O     16.36645457      9.81526223    -13.67788963
  H     12.22390602     14.15188676    -15.90359138
  H     10.96353957     11.49056182    -10.32697951
  O     16.63621515     10.39625912    -16.35392538
  H     13.51821359     13.58678802    -15.27028556
  H     14.54515833     15.31179131    -15.19218570
  O     10.09837763     11.29455782    -10.70981248
  H     14.79761161     10.72301370    -17.00971724
  H     16.04849995     15.00956120    -15.17395826
  O     15.38374644     15.59016469    -14.79523679
  H     14.22439587     11.93854551    -17.74910523
  H     16.65320333     13.46980372    -11.93148853
  O     16.34524535     13.88243566    -11.11250539
  H     11.18963132     13.25212432    -12.78619819
  H     15.82533740     14.64909275    -11.37836365
          69
 Energy    -248.12639402721200     
  O     16.22236828      9.20655783    -16.22732966
  H     16.79866188      9.74233412    -16.80080448
  H     18.99133743     10.25274276    -10.00848669
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  H     15.82750693      8.53837523    -16.78125541
  H     19.44309211     15.92768140    -12.35134378
  O     22.04355114      9.88119800    -14.83706915
  H     18.45378977     16.24060397    -16.81128802
  H     20.33734732     16.72431514    -11.36918798
  O     19.25672298     13.46970511    -10.56933377
  H     19.30021507     15.12534008    -16.15011236
  H     20.76517456     12.46005185    -10.42198148
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  H     22.99353760      9.78984690    -14.84026410
  H     21.33296237     11.00633022    -10.32920099
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  H     21.83713841     10.63129109    -14.25174498
  H     17.20944320      9.04392160    -14.65385541
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  H     18.46476494     13.39958492    -11.12246874
  H     17.18744007      9.32499295    -13.10682504
  O     20.35439407     11.45849036    -16.49010919
  H     19.65506313     14.31259206    -10.81956899
  H     21.35511183     14.40175820    -15.24967793
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  H     13.75613070     12.27788224    -12.25344605
  H     20.81424684     13.34412622    -16.26213012
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  H     14.68344991     11.86818548    -13.42420256
  H     21.43628263     15.06807788    -12.94443683
  O     17.80650906     10.90917254    -17.64834082
  H     20.51266753      9.01453702    -11.27169042
  H     22.76675179     14.29076627    -12.86475441
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  H     20.78784865      8.53189237     -9.82850734
  H     18.12028225     15.77788426    -14.31314138
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  H     15.65400180     10.54847291    -11.87240077
  H     17.60082458     15.01050283    -13.06771589
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  H     16.89849238     10.17625960    -11.02971111
  H     23.01995039     12.95905814    -11.01100996
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  H     19.68923479     11.54455106    -15.79326532
  H     24.38498533     13.64082600    -10.82682386
  O     20.80663608     14.28152282    -16.03468445
  H     20.99243547     10.81991007    -16.14941498
  H     19.40781248      8.66184642    -13.28084580
  O     22.05909986     14.55051683    -13.47339624
  H     21.46955357     12.85928239    -13.43484415
  H     20.90109568      8.83334481    -13.64068110
  O     18.05763566     15.81418016    -13.35151785
  H     21.30030525     11.81896324    -12.30554660
  H     18.31434088     10.84750830    -14.07738428
  O     23.66373197     13.54209193    -11.44313370
  H     15.50734118     12.20086698    -15.51288441
  H     19.49590476     11.84472037    -13.79571369
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  H     15.23211847     10.68807458    -15.45349416
  H     17.57037823     12.68610830    -15.40991183
  O     18.62288913     11.75732556    -14.20461188
  H     18.76101126     10.96842067    -17.52556258
  H     17.38818388     14.00135829    -16.19805521
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  H     17.45890918     11.74991067    -17.31867373
  H     16.26176170     12.98458044    -12.32193774
  O     17.15952227     13.33026297    -12.39622951
  H     18.50859775     11.71226954     -9.93958553
  H     17.63317330     12.73794740    -12.99541315
          69
 Energy    -248.12604883323593     
  O      0.23599394      1.91960647      1.06288127
  H      0.44406366      1.42131586      0.25349843
  H     -1.36642934      1.08229984      1.48582700
  O     -0.28716164      0.10976250     -4.92858477
  H      1.01637955      2.44810427      1.27997963
  H      1.57944170      4.85702164     -2.75497662
  O     -0.75280777      3.95388407     -0.70371192
  H      0.65677783      0.15169089     -5.11210534
  H      0.32249575      4.14828611     -2.19924897
  O      3.84800749      3.20311142     -1.06093155
  H     -0.58415610      1.02494212     -4.82537948
  H      3.07211801      0.14382163     -5.96210194
  O     -1.07678918      2.74692932     -4.42888978
  H     -1.55005856      3.64198537     -1.15230093
  H      2.78922965     -0.54853135     -4.60479493
  O      5.03915790      0.91585974      0.07969282
  H     -0.51798808      3.27046265     -0.06447352
  H      3.01530318      3.26282404      0.56076141
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  H      3.38380769      2.66767742     -1.72281114
  H      3.09783491      2.72596788      2.00734272
  O     -1.99365344      0.24015383     -1.28635950
  H      3.74103979      4.12055685     -1.33792704
  H     -3.77515352      2.75568394     -2.16942884
  O      2.00185484     -1.83867707     -0.13671714
  H     -0.40579293      3.37099755     -4.12807842
  H     -2.60108173      1.79089374     -1.87901886
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  H     -1.75939116      2.76099527     -3.74757992
  H      3.19347038      0.57736023      2.60061884
  O      0.89480057     -3.23247394     -2.27955760
  H      4.78512589      1.74463465     -0.34577442
  H      4.31360125      1.01782692      3.57452821
  O     -2.14535059      0.50567906      1.47480663
  H      4.76868110      0.99336738      1.00249790
  H      3.29995648      6.67533753     -1.93590155
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  H      2.37858107      5.85720366     -0.99809472
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  H      5.40153584     -1.99577432     -0.96912639
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  H     -2.17867503      0.20781578     -0.33764196
  H      4.79298604     -0.59934400     -0.71358858
  O     -2.82346863      2.70219147     -2.13688122
  H     -1.02884365      0.27394751     -1.37744415
  H      1.31599112      0.89622223     -1.83141425
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  H      2.93056855     -1.77438622     -0.39884880
  H      1.23584526     -0.33397617     -0.86702562
  O      2.94348007      5.80337685     -1.79020121
  H      1.57192867     -2.43025990     -0.76945745
  H      2.34029186     -2.34669162     -3.15157525
  O      4.61004678     -1.47769632     -1.09148088
  H      1.10604896      0.34445329      1.94020314
  H      3.66836177     -1.67817095     -2.73202572
  O      0.78022683      0.46762978     -1.15180456
  H      1.79748929     -0.95637589      1.48566791
  H     -1.68722170     -1.22553713     -2.51642615
  O      3.08337279     -1.82854288     -3.48428333
  H      0.12923332     -2.71339488     -2.58904992
  H     -0.88593850     -1.14134042     -3.82978501
  O     -1.16923282     -1.75450958     -3.13193948
  H      0.69169499     -4.14706939     -2.45449677
  H      1.78815434      2.66136065     -3.09716347
  O      2.33610051      1.88070753     -2.93085333
  H     -2.10369299     -0.00879727      2.27808541
  H      2.45572389      1.40231219     -3.76034380
          69
 Energy    -248.12570161350646     
  O     17.94053141      8.70109006     -8.32706385
  H     18.46407140      8.58031931     -9.12793628
  H     13.64612196     12.04032279    -10.37019170
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  H     17.25223935      9.33902624     -8.56136812
  H     14.77993032      7.78218855    -14.22318761
  O     11.88824186      5.57671165     -9.73297659
  H     14.98402233      5.49411790    -10.20922175
  H     14.76818289      7.80004015    -15.77188761
  O     17.93429308      5.67235057    -10.26124708
  H     14.49581589      4.87627704    -11.54566569
  H     18.71024370      7.17566053    -10.74369554
  O     17.11358633      6.23059934     -7.57254679
  H     12.69338786      5.63540403     -9.20509117
  H     20.00438466      7.93022602    -11.12847786
  O     16.93021516      9.61533936    -11.81568647
  H     12.14647423      5.16842532    -10.56763405
  H     14.16997802      6.95923349     -8.51266025
  O     10.29619778     10.15828634     -9.67863937
  H     17.74314598      5.73612875     -9.31662376
  H     15.32718951      6.01350517     -8.11458285
  O     15.82458878     10.21394274     -9.34084931
  H     17.11399527      5.36333030    -10.66543075
  H     12.10262625     11.28096731    -12.27926302
  O     13.19252863      8.58251742    -11.40117543
  H     17.51319477      5.98969192     -6.74108089
  H     13.63201985     11.21334562    -12.67719378
  O      9.84578902      7.36648433    -10.01387601
  H     17.38984037      7.14591570     -7.76106336
  H      9.67090182      7.89535687    -11.82381278
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  H     16.53728948      9.89697588    -10.97570319
  H     10.42307310      7.76949292    -13.15973928
  O     14.00715490     12.25166872     -9.49703497
  H     17.77101963      9.19414891    -11.59505153
  H      9.58423212     11.43308252    -12.88391784
  O     14.28021320      8.08609810    -15.00365335
  H     10.16031099      9.20533567     -9.75742207
  H     10.04167760      9.97602940    -12.64508903
  O     19.08861674      8.05992677    -10.89676777
  H     10.26947299     10.51171910    -10.57443941
  H     11.42081139     10.65096919     -8.47196869
  O     14.47187598      6.03818455     -8.56073193
  H     15.35981736     11.06224869     -9.37529247
  H     11.69816202     11.13392991     -7.02707192
  O     13.00627275     11.29897453    -11.94169521
  H     15.14907198      9.57128186     -9.08852141
  H     12.39324322      3.90773715    -12.78258077
  O      9.71059207      8.25160142    -12.72118979
  H     13.13488015      9.53666819    -11.55490465
  H     12.52662453      5.44821858    -12.77818056
  O     10.26860980     10.90745780    -12.47780074
  H     14.02163197      8.27120173    -11.78872863
  H     14.74498717      9.89056450    -14.27416337
  O     12.12586697     10.83426163     -7.82432687
  H      9.11128587      6.97683592     -9.54506719
  H     15.73369827     10.40319506    -13.19911747
  O     12.77504674      4.63838650    -12.30243190
  H     10.59836446      6.76428331     -9.88741825
  H     13.33020006      8.56432925     -9.61731548
  O     14.97713614     10.65949843    -13.74196703
  H     12.36031887      7.59946491    -12.66470496
  H     13.10112940      9.32398551     -8.27518662
  O     13.60410957      8.61146094     -8.68787442
  H     12.72280713      7.39445360    -14.15063296
  H     16.07825611      8.15178482    -12.33062619
  O     15.47023604      7.47552398    -12.66128979
  H     13.36323653     11.91247527     -8.86370596
  H     15.51830643      6.69087433    -12.10148065
          69
 Energy    -248.12563160944819     
  O     17.31605776      3.85183504    -15.12265886
  H     16.85044269      3.25784867    -14.52097913
  H     16.28575696      9.10846052    -15.97330919
  O     18.58604657      8.79921030    -10.65581736
  H     16.73243035      4.61105489    -15.24910342
  H     14.21307161      8.32071106    -16.33427940
  O     13.03749595     10.91294240    -10.90631549
  H     18.84720389      8.18066036    -11.34827694
  H     13.11980555      7.43901709    -16.98373191
  O     17.29837809      8.38858676    -14.48191629
  H     17.79927931      8.42448801    -10.23814425
  H     15.99777718      9.80164135    -12.21642670
  O     19.67355948      4.44578610    -13.89400081
  H     13.24112209     11.25294220    -11.78892114
  H     14.74806286      9.93956729    -13.11264333
  O     11.59741557      8.52175750    -11.67527155
  H     12.43730237     10.17345543    -11.05408141
  H     16.89799076      2.60268201    -12.44107647
  O     14.02441298      7.30360557    -11.46430521
  H     16.58535980      8.70544141    -13.90163965
  H     15.87762744      1.49473438    -12.80048759
  O     17.71358422     11.31219716    -14.09632048
  H     17.91124450      7.88796822    -13.92471222
  H     15.08329990     11.23096272     -8.52481126
  O     16.01879626      7.95944404     -9.58874603
  H     20.42263241      4.15915803    -14.40932876
  H     14.41817519     10.78119313     -9.84552505
  O     15.64742819      6.13931574    -15.01221333
  H     18.87607123      4.23378500    -14.41155199
  H     16.78554782      6.31674754    -10.21637835
  O     18.75898935      6.83161612    -12.72956596
  H     12.40979978      8.00582838    -11.53450800
  H     16.33325091      5.41284990    -11.39628454
  O     15.53339872      9.44547306    -16.47502785
  H     10.89383951      8.05656306    -11.22995633
  H     14.21201412     11.71339511    -14.30206626
  O     13.55657805      7.62224876    -16.15508464
  H     14.50967590      7.97249797    -11.97538716
  H     13.01838943     10.73415652    -14.01502209
  O     15.38269822      9.29786558    -12.76680459
  H     14.22756408      6.43685795    -11.83912808
  H     16.54730541     11.08698765    -10.62593107
  O     16.09045495      2.41133667    -12.95176250
  H     17.87309800     10.38338140    -14.29154171
  H     17.79808395     10.30631280    -11.11082713
  O     15.22483092     10.70158381     -9.30537190
  H     17.57723373     11.35914203    -13.13881700
  H     15.73306311     12.94927066    -16.00502769
  O     17.08727989      5.63985001    -10.83268774
  H     15.26555769      7.68338139    -10.13019902
  H     16.36502802     11.93053903    -15.02584338
  O     13.66923023     11.32721951    -13.60568413
  H     15.81086955      8.86568308     -9.32904786
  H     15.20452454      4.03687809    -12.67011310
  O     17.14589749     10.97652391    -11.37378322
  H     14.86665694      6.52917940    -15.42579075
  H     15.20781247      5.37997482    -13.44373667
  O     15.56329259     12.13422611    -15.54047566
  H     16.27892182      6.85835508    -14.88412386
  H     18.93347044      3.57805445    -12.32190800
  O     15.00340872      4.97694572    -12.58652396
  H     19.22385355      6.09856819    -13.15109590
  H     18.01761493      4.01767510    -11.16309593
  O     18.32871764      3.24170775    -11.64889477
  H     18.17050582      6.42855433    -12.07437179
  H     12.46419697      8.63937323    -14.91249697
  O     12.00991724      9.32626179    -14.41108725
  H     15.48100196     10.38782880    -16.27394380
  H     11.77557294      8.95360785    -13.55191211
          69
 Energy    -248.12544621380380     
  O     16.89794208     10.14371234    -10.97559123
  H     16.69189224      9.76352681    -10.10531078
  H     18.62243198      3.96708583    -13.11179820
  O     17.50884097     12.51941279     -9.76210865
  H     16.22261017      9.81629953    -11.58362760
  H     15.75255761      7.43367540     -9.02424219
  O     12.80796697      7.28285947     -9.13228619
  H     17.51274495     13.26549896    -10.35646909
  H     16.47425067      6.16735500     -9.52811909
  O     14.93840682      8.95535076    -12.53312876
  H     17.27306957     11.73967922    -10.29230056
  H     17.97547438      7.49785873    -14.18980498
  O     19.03744260      8.42066161    -11.33588537
  H     13.69176893      6.89631623     -9.08736725
  H     18.94957465      7.63552694    -12.99445273
  O     20.85676591      9.10800507     -9.32869347
  H     12.63860607      7.61080866     -8.24000435
  H     18.32126379     11.54122235     -5.01122562
  O     18.10888958      5.99815377    -10.26229157
  H     14.64477150      8.09504474    -12.20477639
  H     17.39295974     11.49652374     -6.24898090
  O     16.16721511     12.24722329     -7.22706401
  H     15.34024974      8.77314650    -13.39218885
  H     15.92764182      7.01906092    -14.56427560
  O     13.16828834      9.83256223    -10.36223944
  H     19.74338954      8.67516132    -10.72869420
  H     15.99818251      7.98719092    -15.76978457
  O     13.98304928     10.60209244     -7.85826637
  H     18.33887147      9.08498076    -11.26001304
  H     15.44119758      9.62349017     -8.31744095
  O     12.94192848      8.34132436     -6.48751063
  H     21.79669667      9.26572954     -9.31151437
  H     16.71976197      8.88756588     -7.80686010
  O     18.08353195      4.67158606    -12.76146488
  H     20.43024789      9.89392116     -8.94134649
  H     19.18931898     11.16591783     -7.38531506
  O     15.61546705      6.49364783     -9.22430138
  H     18.11634115      5.38889685    -11.01012563
  H     18.95055883     11.73741113     -8.79637631
  O     18.74905651      7.09882606    -13.77445668
  H     18.39496034      6.85302565    -10.61761484
  H     15.36646434      6.40476817     -7.17433590
  O     18.14305262     11.05386127     -5.81109408
  H     16.53869040     12.43420014     -8.09792186
  H     16.01974449      7.32461162     -6.13598267
  O     16.19495228      7.91546158    -14.83932498
  H     15.32493987     11.79878311     -7.38161554
  H     13.27448192      6.52324469    -11.13086555
  O     16.19665415      9.08800385     -8.59351474
  H     12.96246676      8.94450104    -10.03818417
  H     14.76384946      6.34024509    -10.84486905
  O     19.57373192     11.22424744     -8.26832249
  H     13.67710378      9.71389672    -11.17054470
  H     19.01214769      6.55985503     -8.61402767
  O     15.20715731      6.83337100     -6.32729863
  H     13.54841594      9.94192417     -7.30394618
  H     19.96522670      7.74059408     -8.35070618
  O     14.12232783      6.40676831    -11.56814996
  H     13.63210328     10.49836051     -8.75707706
  H     17.84839299      9.21869887     -6.00918331
  O     19.37634912      7.11303348     -7.91320579
  H     13.74023560      7.80212217     -6.34395891
  H     18.27257812      7.89832022     -6.75828560
  O     17.54986206      8.34528651     -6.28930472
  H     12.38898019      8.22410466     -5.71960010
  H     14.94877884      5.66011304    -13.07717142
  O     15.53978807      5.48006667    -13.82018404
  H     18.39480904      5.49776879    -13.17606683
  H     16.32982508      5.07133995    -13.44540118
          69
 Energy    -248.12534587759652     
  O     -2.87674603      5.26999167      3.85729501
  H     -2.22480031      4.90843401      3.24164622
  H     -0.21703399      2.00172229     -0.84782749
  O      1.23722424      0.61031887      1.67811171
  H     -2.81726065      4.72604018      4.65267267
  H     -5.96001212      5.75885481      3.31879051
  O     -1.76380219     -0.23003049      4.13160855
  H      1.02802812      0.84970099      0.76700854
  H     -4.52519341      5.17806912      3.31414626
  O     -3.63483310      0.40635568      0.25678129
  H      0.80941943     -0.23966463      1.83836581
  H     -1.27173946      3.56760544      0.38105444
  O     -2.68685419     -2.99256589     -1.55124866
  H     -2.47941626     -0.85505404      4.30057838
  H     -2.28224222      3.18858637     -0.73440950
  O     -0.49535759     -1.61564077      2.08652750
  H     -2.14357799      0.48075804      3.59067898
  H     -5.72883533      3.90514259      1.57066715
  O     -6.54825978      1.02235505      2.46461895
  H     -3.82615680      1.15245776     -0.32487220
  H     -6.17469981      2.43979775      1.35004866
  O     -2.88953702      3.38369230      6.02577407
  H     -2.81966141     -0.01340866     -0.04862037
  H     -0.32225197      3.52365250      2.60901451
  O     -1.28650345     -0.88912257     -0.45459812
  H     -2.20765697     -3.36236774     -2.28836456
  H     -1.77543260      3.04604264      2.36227440
  O     -5.08940678     -1.36438022      1.77114008
  H     -2.15156227     -2.24917202     -1.22992790
  H     -4.53407291      3.00693320     -1.92401649
  O     -2.30189331     -3.68926798      2.43731506
  H     -0.96331322     -2.46062911      2.14515635
  H     -4.74455099      3.01508643     -0.39132540
  O      0.40013232      1.25944152     -0.98449000
  H     -0.83911408     -1.08903573      2.82265902
  H     -4.36706481     -1.74618279      3.35744560
  O     -5.45505877      4.98005634      3.10167448
  H     -6.10220337      1.34779422      3.25739617
  H     -4.59908860     -2.21300258      4.81260941
  O     -1.34205193      3.25184245     -0.53036047
  H     -6.19079067      0.14524695      2.28518576
  H      1.21012627      1.91780220      2.82278268
  O     -5.83423306      3.22432544      0.89644668
  H     -2.88327185      3.59548870      6.95547764
  H      2.03156435      3.01210156      3.54195032
  O     -1.16207599      3.78342676      2.21143873
  H     -2.07757863      2.87438060      5.85362448
  H      0.00225729      2.22850664      4.86323305
  O     -4.10773360      2.79689961     -1.09779596
  H     -0.99844612     -1.16534410      0.42880107
  H     -0.97010540      1.07242652      5.15818151
  O     -3.91698617     -2.02694039      4.17243812
  H     -0.68506975     -0.19400930     -0.74935202
  H     -5.28299616      3.33401107      3.98378265
  O      1.14402317      2.68695582      3.41665134
  H     -5.00649203     -2.20945356      1.31200852
  H     -4.33587964      2.70241764      5.02789124
  O     -0.67212945      1.93262479      5.48606704
  H     -4.61809075     -0.72016493      1.22055570
  H     -3.83190832     -3.50351907     -0.31954697
  O     -4.98975830      2.48746317      4.34976729
  H     -2.95333571     -3.83157215      1.74088419
  H     -4.89253913     -4.52235320      0.15632638
  O     -4.39583735     -3.75617255      0.43188495
  H     -2.79206192     -3.26628857      3.15327553
  H     -3.22738416      1.30863817      1.77781590
  O     -2.93431841      1.71698366      2.60227433
  H      0.99169679      1.51767428     -1.68564949
  H     -3.71285622      1.98432778      3.10710713
          69
 Energy    -248.12503058157674     
  O      0.72484704     -5.51389830      0.16864580
  H      1.42785000     -5.41821068      0.82232601
  H     -4.79236735      0.46978685      2.10928942
  O     -2.36448850      2.24467361      0.29840439
  H     -0.10208748     -5.34987801      0.64197949
  H     -0.01575469      1.16176067     -1.69258271
  O      2.63609264     -1.07170288      3.96308546
  H     -1.51978387      2.20339586      0.76473510
  H      0.63030172     -0.20918782     -1.43051769
  O     -1.78550167      1.66005311     -2.29064268
  H     -2.96800846      1.67474449      0.79060675
  H      0.48943806     -4.97763029     -1.45354757
  O     -0.01390350     -1.63156459      4.72058261
  H      1.74485088     -1.22691136      4.30597389
  H      0.78143060     -5.14480072     -2.96348919
  O      2.75167528      1.42037900      2.59090471
  H      2.67779047     -0.16113593      3.64489003
  H     -0.84497934      0.44848645      2.39221680
  O      0.10966826     -4.40263285      3.75489369
  H     -2.00529242      2.39378276     -2.85868538
  H     -2.31106861     -0.04391465      2.58411034
  O      2.43668247     -4.81993081      2.33303663
  H     -2.06765262      1.90755145     -1.39200433
  H     -2.56648436     -3.07124164     -2.63872135
  O      2.26946129     -2.20433549      1.42746817
  H     -0.42701428     -1.56223950      5.57838750
  H     -1.58987747     -4.26352248     -2.47557153
  O      4.20396419     -3.44697380      4.04520112
  H     -0.56516060     -1.12459027      4.10143383
  H     -1.21511332     -3.69069049      1.29862654
  O      3.10600893      0.18807848      0.21169802
  H      3.35831702      2.14280291      2.73130813
  H     -2.41313651     -4.63206643      1.03452493
  O     -3.90609216      0.34702142      1.78156370
  H      2.98084550      1.02280331      1.72983866
  H     -3.40490875     -4.37825550     -0.99768689
  O      0.71495479      0.73565098     -1.23008165
  H     -0.59943139     -4.53143020      3.10986346
  H     -4.59871245     -5.05007745     -0.27979078
  O      0.29662609     -4.61443038     -2.33723423
  H      0.02399965     -3.50153406      4.08307921
  H     -1.47275865     -1.42446164     -2.17482567
  O     -1.39384429     -0.21989182      2.82942515
  H      3.16315748     -4.53573643      2.90292938
  H     -2.31378568     -0.18090145     -2.48895040
  O     -2.52339491     -4.01821193     -2.45699862
  H      1.63657778     -4.76033678      2.88092580
  H      0.51483919     -2.14917614      1.20106631
  O     -1.57531550     -4.56767342      1.50572634
  H      2.43436460     -1.80020719      2.29017705
  H     -0.83929536     -1.46402135      1.57989025
  O     -3.86418295     -4.45812233     -0.14191345
  H      2.38776262     -3.15439816      1.56052617
  H      0.99762917      1.63987503      1.88428387
  O     -2.37430297     -1.13749844     -2.38585797
  H      3.74992972     -2.59591565      4.13029493
  H      0.37370946      1.22347028      0.52764180
  O     -0.43278281     -2.11506852      0.99806302
  H      5.12005275     -3.27503284      4.25059978
  H      0.35665807     -2.80666054     -1.96786890
  O      0.16084014      1.55036611      1.41434695
  H      2.43709981      0.45349311     -0.43141227
  H     -0.10226155     -2.01940085     -0.71084501
  O      0.16609604     -1.92072241     -1.63901826
  H      2.89791233     -0.72527145      0.45582614
  H     -3.40461905     -1.41523449     -0.86203854
  O     -3.89018125     -1.59785863     -0.04675747
  H     -3.94336139     -0.37211289      1.12290100
  H     -3.96263224     -2.55644834      0.01610607
          69
 Energy    -248.12483707288266     
  O     16.15034212      8.25489265    -15.86895654
  H     16.78573698      8.20783414    -15.14147147
  H     16.58329200      9.25955585    -17.21337098
  O     14.24068841     11.41032881    -14.88424779
  H     15.28115595      8.33834922    -15.45975896
  H     18.47160043     15.58417264    -13.20138908
  O     20.87210102     11.00898597    -10.94422101
  H     13.85059688     10.53264020    -14.80922112
  H     19.38152845     16.58849359    -12.46200130
  O     20.33403347     13.15687060    -12.57679026
  H     15.15283385     11.31448738    -14.56718949
  H     19.86624671     11.76097162    -15.51653912
  O     14.40657186      9.08259200    -11.89210026
  H     20.77945750     11.82896311    -11.45841570
  H     21.28495243     12.40437100    -15.46196294
  O     18.12523899     10.60713171    -10.33545931
  H     21.71034291     11.06415145    -10.49223713
  H     17.35595083      9.10565206    -10.68004399
  O     17.82198993      8.51223321    -13.62854284
  H     20.46121177     12.74928280    -13.44765882
  H     17.12940491      7.62314283    -10.28815833
  O     14.83447404     11.89643164    -17.58892046
  H     20.18615030     14.10053561    -12.70778547
  H     15.04283616     13.61135958    -17.55837156
  O     17.77341944     14.40187381    -16.37084749
  H     15.24709255      8.75858350    -11.53784862
  H     14.72132832     15.02211725    -18.10899045
  O     18.22394743     11.67429973    -16.28381638
  H     14.28841076      9.95617961    -11.52258984
  H     19.38829726     15.25983223    -16.11221550
  O     13.65872884      8.66361005    -14.48787862
  H     17.79303213     11.40127047    -10.77406141
  H     20.06363565     15.80966704    -14.84726287
  O     16.83389830      9.87594178    -17.92554024
  H     19.08642085     10.65980604    -10.41020840
  H     17.28541589     14.68526831    -14.63349725
  O     19.39781754     15.80713729    -13.00945910
  H     18.75078889      8.79002467    -13.58308092
  H     15.95429427     14.74605456    -13.88050055
  O     20.66787659     11.83411659    -14.98082675
  H     17.54646664      8.28503229    -12.73331541
  H     21.53046481     14.45478925    -16.12480780
  O     16.91791444      8.27733617    -10.94857357
  H     14.54737162     11.69334097    -16.68763888
  H     22.75987193     14.01784543    -16.94166365
  O     15.17212595     14.56539711    -17.40433493
  H     15.48022052     11.21893347    -17.81853532
  H     20.57985716      9.88372748    -12.52318180
  O     20.22710493     15.60466997    -15.77402591
  H     17.95617916     13.45325089    -16.43096261
  H     20.55670810     10.24263440    -14.01686191
  O     16.90827064     14.85244420    -13.75710818
  H     16.92544103     14.55436398    -16.80672592
  H     17.13309943     10.17970964    -13.83737931
  O     22.16525588     13.72936612    -16.25523669
  H     17.87264849     11.08072873    -16.95744890
  H     17.10473815     11.63285430    -13.25865878
  O     20.34553419      9.53660659    -13.39050743
  H     17.71537758     11.49664457    -15.47778260
  H     14.18477669     13.30434639    -14.62894856
  O     16.82058786     11.08022172    -13.99691478
  H     13.90900555      8.74705829    -13.55144644
  H     14.53125516     14.47726976    -15.55588267
  O     14.37849078     14.25077471    -14.62990160
  H     12.87995581      8.11373543    -14.51562093
  H     17.23443316     13.54573457    -12.49932988
  O     17.61938575     12.81328282    -11.99948162
  H     17.05919728      9.34236223    -18.68249933
  H     18.57455504     12.88088823    -12.14194062
          69
 Energy    -248.12457323213306     
  O     15.49210716     10.48224954    -15.01094501
  H     14.68205286     10.08601319    -15.32003183
  H     17.57161209     12.20175590    -16.54315276
  O     19.37511839     14.91910980    -16.25753910
  H     15.77398375      9.96587394    -14.23431077
  H     18.74168842     10.38145842     -9.20080942
  O     21.34581890      8.91892019    -14.71267491
  H     20.17353689     14.42530849    -16.47397480
  H     17.98536924     10.67112425     -7.88000813
  O     19.21009165     13.22708688    -10.06308988
  H     19.41988241     15.10523866    -15.30895319
  H     20.34559963     16.64997881    -11.05116870
  O     19.94657698      9.52488956    -10.12321869
  H     22.10793943      8.34731027    -14.76902872
  H     19.62559081     17.98140924    -11.33911123
  O     16.29294866     11.15566551    -10.94901267
  H     21.62780849      9.71172585    -14.22300634
  H     20.71861292     12.28770394    -10.50816439
  O     20.56513573     10.88267426    -16.68726483
  H     18.60336236     13.38815356    -10.79769063
  H     22.22416504     12.48911146    -10.77288254
  O     22.05781120     13.98566892    -13.92636079
  H     18.79547482     12.56400529     -9.49570397
  H     17.24002646      8.80435185    -12.79234439
  O     21.00471249     15.41265686     -9.96883443
  H     20.65316301     10.16639059    -10.26910613
  H     16.25839889      9.79124590    -12.11898191
  O     21.80036114     11.26793028    -13.38665259
  H     19.68859168      9.19723133    -10.99499595
  H     22.29419062     13.41457197    -17.40598116
  O     15.70810364     13.29974638    -14.32370143
  H     16.81506294     11.06791250    -10.14203728
  H     21.35066518     12.43894450    -16.66581150
  O     17.84629930     11.32454414    -16.24424598
  H     16.58155856     11.97623228    -11.36105071
  H     19.67941085     15.92964479    -12.94685616
  O     18.11309465     10.98849797     -8.76950941
  H     19.59962224     10.94115697    -16.67297353
  H     18.86015675     14.61319485    -13.09698452
  O     19.96696510     17.19764708    -11.76030204
  H     20.79995522     10.12289936    -16.14315573
  H     22.85445066     14.10203091    -12.29218907
  O     21.53969231     11.81237598    -10.70457850
  H     22.08742945     13.85926761    -14.88343028
  H     24.06228889     14.32633931    -11.35606930
  O     16.34105149      9.14710969    -12.83959918
  H     21.19849130     14.38876244    -13.72729833
  H     19.83933458      8.63306415    -13.42572413
  O     21.74550970     13.32843884    -16.63063275
  H     20.35558998     14.70207131     -9.87539258
  H     18.96131554      9.81463050    -13.00861437
  O     19.57384732     15.13073852    -13.48532365
  H     21.78809807     15.00932006    -10.36001037
  H     18.66622823     11.49349021    -14.59766008
  O     23.14794630     14.05378079    -11.36777717
  H     21.70952328     11.30717181    -12.42368381
  H     19.96827442     11.50584378    -13.72597465
  O     19.17674667      8.89736114    -12.77907054
  H     21.99627913     12.17047263    -13.66801764
  H     16.57325822     14.35972069    -17.58946081
  O     19.00462826     11.52373503    -13.69295751
  H     16.05092233     13.62977432    -15.16349257
  H     17.81398962     14.34759445    -16.66421097
  O     16.95486788     13.92049228    -16.83462265
  H     15.52190345     12.36476601    -14.47527745
  H     18.12491230     12.68058940    -12.76171327
  O     17.59591472     13.39023428    -12.35806271
  H     17.04784491     10.90036340    -15.90140094
  H     16.84107672     13.51673722    -12.95259946
          69
 Energy    -248.12445341746462     
  O     11.47525521     10.07216129    -11.82766202
  H     10.84489550      9.65696650    -12.42861286
  H     18.56310769      7.10101176    -16.23523250
  O     13.90980208      7.46746396    -15.27993182
  H     11.95882020     10.71547498    -12.35852596
  H     16.05209615     11.70716531    -15.41550196
  O     17.35346332     10.92716403    -10.69631056
  H     14.34120914      7.47977342    -16.14293492
  H     15.55443952     13.09718144    -15.86891489
  O     17.82764701      8.55497880    -16.93377749
  H     13.23172729      8.15988503    -15.29468187
  H     15.24570261      8.23514916    -14.33097706
  O     12.09611518      9.54466752    -15.27803271
  H     17.60560595     10.15160744    -10.17782919
  H     15.63806572      9.12916891    -13.10252983
  O     15.68699292      7.07265351     -9.86473164
  H     18.00106096     10.99621471    -11.40782695
  H     18.95740980      8.24525334    -11.00589169
  O     13.40928604      6.20264749    -12.87076218
  H     17.78944004      9.34596090    -16.38323803
  H     18.87253423      7.55238237    -12.38176899
  O     15.00172156     10.22393261    -11.86909741
  H     16.92745865      8.39539185    -17.24376535
  H     11.61464723      6.12502221    -12.76518387
  O     15.13018229      8.06472109    -17.75145951
  H     12.49497861     10.19747398    -14.68189351
  H     10.39274715      5.80293363    -11.89321408
  O     15.83647533      5.09730655    -11.94146946
  H     11.27361292      9.25207634    -14.86892818
  H     20.13399491     11.13819076    -12.81980609
  O     17.39878181     10.61396001    -14.98482210
  H     14.83112123      7.48837002    -10.03007310
  H     19.34560109      9.83143936    -12.57845977
  O     18.90943296      6.30846500    -15.79083534
  H     15.75573197      6.34632265    -10.49560342
  H     17.10298760      7.26173549    -13.51216504
  O     15.25754467     12.21935308    -15.64147577
  H     14.20125295      5.73576779    -12.57781221
  H     18.14013464      6.32005895    -14.19125854
  O     15.98751790      8.58979218    -13.82573655
  H     13.59064960      6.54837770    -13.75672500
  H     18.23667984      8.31314647     -8.51367926
  O     19.34764278      8.23352198    -11.88922541
  H     15.77345989     10.52617075    -11.36993278
  H     17.14378137      7.96468125     -9.54883412
  O     10.65300023      6.23808495    -12.70200263
  H     14.50253934      9.57930958    -11.35174566
  H     13.08963745     10.16071450    -16.75698534
  O     19.26274669     10.75484270    -12.87957277
  H     14.68818824      8.93066921    -17.68566196
  H     14.32383082     11.08051067    -16.84822567
  O     17.67702716      6.49455467    -13.35927066
  H     14.95871299      7.73358190    -18.62937116
  H     13.32185770      7.56891457    -11.57078521
  O     17.97020520      8.46217320     -9.41686985
  H     16.09870687      4.18762395    -11.82659802
  H     12.60613619      8.85207971    -11.07596873
  O     13.83237289     10.40184633    -17.32710249
  H     16.54034984      5.52938328    -12.45700080
  H     13.90778927     11.83715197    -14.31601413
  O     13.32923894      8.23957692    -10.87491498
  H     18.09777543     10.78011047    -14.34037426
  H     13.94115098     11.05404223    -12.99240751
  O     13.33878445     11.41232574    -13.66392484
  H     16.89172836      9.86675631    -14.62807632
  H      8.96231385      8.64908277    -13.92404671
  O      9.90288066      8.63997080    -13.76687828
  H     19.75086869      6.12524914    -16.19971825
  H     10.12156568      7.75998218    -13.41497057
          69
 Energy    -248.12444083746436     
  O     -0.97415100      5.04423232      0.10051553
  H     -0.36660375      5.73922471      0.37958263
  H     -3.93262745      6.14155927      6.91116531
  O     -5.85582678      6.02584135      6.79460606
  H     -1.07794390      4.41792556      0.83341946
  H     -5.46075917      8.92896718      0.19119023
  O     -5.30957509      8.36889783      3.43414626
  H     -6.52652915      5.78656991      7.42789044
  H     -4.70849107      9.98813406      1.00382122
  O     -2.55092769      7.88580463     -2.68070723
  H     -5.93252245      6.98661213      6.64997225
  H     -0.12023266      7.97673555      0.42480929
  O     -5.31444917      5.67322251      4.04958007
  H     -4.43405834      8.73871916      3.60640838
  H      1.33569521      7.64924130      0.84931624
  O     -6.12727719      5.18615376     -1.09619853
  H     -5.57622083      8.72037342      2.57306731
  H     -5.01933442      3.97369312     -1.61784310
  O     -3.37504998      6.30591818      0.90058181
  H     -2.42667261      6.92214116     -2.60570402
  H     -4.64651244      2.82294698     -2.58313518
  O     -1.67386548      3.38571557      2.15175681
  H     -2.36612965      8.11602916     -3.58712710
  H     -2.82248224     10.31359953      2.24482447
  O     -2.23563839      5.21141216     -2.33156665
  H     -5.33689820      6.60499857      3.78029637
  H     -2.77546549     11.57202859      1.35472884
  O     -2.74504276      9.48716652      3.84826003
  H     -5.59854966      5.64440127      4.97039715
  H     -4.91270274      8.97077262      6.42195005
  O     -5.48303679      4.56118145      1.55434605
  H     -6.12760964      5.01040778     -0.14457769
  H     -5.82966260      8.67756585      5.22239457
  O     -3.00589269      6.37678708      6.77744443
  H     -5.81148139      6.09409784     -1.19624037
  H     -2.12951397      5.81994623      3.84050560
  O     -5.54854106      9.51633341      0.95361380
  H     -4.06663177      5.67652802      1.14252645
  H     -3.51731534      5.22170487      4.17607328
  O      0.43387020      7.35381474      0.93235948
  H     -2.63247947      5.81132405      0.52763499
  H     -4.16424623      1.36597900      0.78803918
  O     -4.34676593      3.29391960     -1.80955525
  H     -2.44220017      2.94223996      1.77322243
  H     -4.02859479      2.59777118     -0.13294364
  O     -2.90054878     10.62566313      1.32834942
  H     -1.97503279      3.83684631      2.95090351
  H     -2.91268611      8.11977697      6.69023731
  O     -5.80152166      8.67543520      6.18951414
  H     -1.66259543      5.08765407     -1.56009780
  H     -2.53814021      9.45337604      7.37825533
  O     -2.56629734      5.07624517      4.28106226
  H     -2.93825812      4.56029037     -2.23551931
  H     -1.85866086      9.53839261      0.12768175
  O     -3.96997292      2.30065691      0.78932419
  H     -2.26398144      8.69811559      3.55068684
  H     -1.71593584      8.68358455     -1.16592315
  O     -2.97411928      9.08914179      6.61253790
  H     -2.75247180      9.47021680      4.81296556
  H     -4.18136387      7.86877992     -1.72760802
  O     -1.24745188      8.99270274     -0.38121643
  H     -5.53569655      4.82639418      2.48322860
  H     -4.29353933      7.25998028     -0.32220576
  O     -4.81489280      7.67698057     -1.02703519
  H     -5.04472605      3.70355930      1.49833020
  H     -2.32158329      7.00469785      2.16123014
  O     -1.63565856      7.24226037      2.80630225
  H     -2.70740229      5.85148842      6.02439791
  H     -0.80597860      7.28568467      2.31648754
          69
 Ord_Energy   -248.124313    
 O   -4.58172035     -0.119858369       1.69819868    
 H   -4.67647409      0.677004457       1.16250777    
 H   -4.17641449     -0.805101573       1.14910901    
 O   -4.20023298       3.47407198       2.68349743    
 H   -3.27105117       3.26486897       2.84246063    
 H   -4.69333553       3.15759563       3.44942117    
 O   -3.37139726      -2.14950490      0.232965514    
 H   -3.87407446      -2.88546538      0.616921544    
 H   -2.47380805      -2.18111706      0.580133319    
 O   -7.68327522       1.64219952       2.81331253    
 H   -7.57454634      0.681388021       2.84634924    
 H   -7.10602951       1.99523926       3.49933076    
 O   -4.44341755     -0.672759354      -1.85407972    
 H   -3.85101604       8.62634480E-02  -1.83960593    
 H   -4.04046059      -1.31158316      -1.24795794    
 O   -6.95147610      -1.04685390       2.74548483    
 H   -7.29027462      -1.68828261       2.10850024    
 H   -6.11329412     -0.718419313       2.38366389    
 O   -1.51922846       2.53470778       2.98902774    
 H  -0.712349474       2.96909142       3.25048757    
 H   -1.30966532       1.99570954       2.20355344    
 O   -1.06242323      0.908599436      0.892144263    
 H  -0.975417256      -4.10223715E-02   1.03176451    
 H   -1.57633615       1.03936875       8.53684396E-02
 O   -6.41560793      -1.83822763       5.25850964    
 H   -7.17789698      -2.20393085       5.70024157    
 H   -6.70299816      -1.54871082       4.37464190    
 O   -7.02791405     -0.694026709     -0.861304581    
 H   -6.15839291     -0.657848597      -1.28784454    
 H   -7.24363947      0.202222958     -0.585270226    
 O   -4.48690987      -3.64611173       4.21906996    
 H   -4.19866514      -4.14626265       4.99687052    
 H   -5.14778042      -3.02553391       4.55039787    
 O   -7.52741289      -2.81770396      0.707305014    
 H   -7.35127211      -2.08611488       8.54674280E-02
 H   -8.22563457      -3.34014559      0.323112458    
 O   -4.68785858      0.230351985       6.03243494    
 H   -5.29860353     -0.493551791       5.83472872    
 H   -4.05856705      0.281756341       5.29411840    
 O   -2.74154973      -1.90740764       6.80118513    
 H   -3.34049654      -1.15485096       6.75666618    
 H   -2.32436705      -1.96676004       5.93258762    
 O   -7.55759859       1.99338377      0.125075176    
 H   -7.65823793       1.92341220       1.09129345    
 H   -8.28693867       2.52024055     -0.190512836    
 O   -4.79849052       2.31951737      0.296133518    
 H   -5.75067377       2.30603552      0.140295357    
 H   -4.62889814       2.82213402       1.10843599    
 O   -4.97262764      -3.96803546       1.44639778    
 H   -4.86908484      -3.95107698       2.40706110    
 H   -5.86890316      -3.67335749       1.24593210    
 O  -0.864739537      -1.91396403       1.51100874    
 H   -1.21584642      -2.07583308       2.40283728    
 H   -7.70807937E-02  -2.44555783       1.42573917    
 O   -5.83602142       2.50267887       4.86811972    
 H   -5.47016430       1.74248850       5.34608030    
 H   -6.09923506       3.13527107       5.53361130    
 O   -2.73553395       1.58837557      -1.30998552    
 H   -3.47761178       1.92528749     -0.776863217    
 H   -2.52144217       2.26959920      -1.94279289    
 O   -3.02579975      0.375713050       3.87740993    
 H   -3.58683610      0.243419796       3.09720683    
 H   -2.44894409       1.12572265       3.69355059    
 O   -2.08545899      -2.18314576       3.95924282    
 H   -2.88533235      -2.72749972       3.96645236    
 H   -2.37404919      -1.25685143       3.93824196    
 O   -3.63879013      -4.52903032       6.68356705    
 H   -3.33538461      -3.62477446       6.87029076    
 H   -3.07592893      -5.10526800       7.19390917    
          69
 Energy    -248.12421962411048     
  O     -3.89669562      3.91283821      1.15688693
  H     -3.79146408      4.41999381      1.97680997
  H     -2.65122844      4.29711254     -3.44906216
  O     -4.93535284     -1.27797560      0.28494202
  H     -4.07295541      2.98590955      1.36055695
  H     -0.71756875     -3.01972688     -1.55519368
  O      0.32733812      3.41945659     -1.80465562
  H     -4.57080671     -1.24226857     -0.61775766
  H     -1.45937523     -2.20514295     -0.47067304
  O     -2.84291740      1.52374210     -1.40765836
  H     -5.79652174     -1.68112880      0.21949394
  H     -1.21849675      2.86576693      4.61478268
  O     -0.91586853      1.08236965      5.19396960
  H     -0.54067381      3.65152491     -2.16121912
  H     -1.10438514      3.58724122      3.24746642
  O      2.40117111      4.29583508      2.15849020
  H      0.35152800      2.45713248     -1.78827384
  H     -0.57694234      6.38823660      0.86595437
  O     -1.13307676      3.35596566      1.47099589
  H     -2.79722474      2.41772194     -1.76813016
  H     -0.99850774      7.83308656      1.20829370
  O     -3.64579123     -1.05707829     -2.09882313
  H     -3.17139291      1.56248956     -0.50119088
  H     -2.45253794      6.10800316      2.58609129
  O     -3.83026627      1.14085618      1.26019641
  H     -1.07663281      0.72613318      6.06383977
  H     -2.43454593      5.05438632      3.71326914
  O     -1.66766699      0.01405377      2.68932971
  H      0.04435724      1.23389733      5.12439789
  H     -1.14491699      0.91740539     -1.47389457
  O      1.70036167      1.74470424      4.92012727
  H      2.64282724      3.36219430      2.15696620
  H     -0.37238799     -0.41024940     -1.54828681
  O     -2.34708539      4.02280461     -2.58806559
  H      2.14206192      4.49541654      3.06642235
  H      0.46328100      4.38468944      4.63353793
  O     -1.07394020     -2.15631488     -1.36398087
  H     -0.56907957      4.00853284      1.03391716
  H      1.40537672      5.30151097      5.44920846
  O     -1.13996234      3.73551979      4.20557525
  H     -2.04999916      3.55836131      1.25150001
  H     -2.54528763      6.30504925     -0.14755873
  O     -1.31123838      6.93156814      1.19960902
  H     -2.80101509     -1.51707275     -2.02553962
  H     -3.55747487      5.14839351     -0.11039043
  O     -3.02427022      5.58814119      3.16571174
  H     -3.43153131     -0.11545373     -2.02546745
  H      0.22862061      0.82699531      0.21056978
  O     -0.24944159      0.54488971     -1.48147721
  H     -3.10152445      0.80915403      1.80218833
  H     -0.15674387      1.91353971      1.25098977
  O      1.39651432      4.58791369      4.81671629
  H     -4.34150347      0.36779819      0.99014389
  H     -2.05903285     -1.53667047      1.72860026
  O     -3.12032974      5.77368613     -0.70870762
  H     -1.48594501      0.29283271      3.59393466
  H     -3.25590810     -2.01264442      0.89005995
  O      0.34547651      1.09202131      1.13276803
  H     -0.90842433      0.29687910      2.15880724
  H      1.92691770      1.26233499      1.85739918
  O     -2.32190172     -2.18454739      1.06171814
  H      2.14391045      1.54741439      4.08523092
  H      3.43462995      0.91332500      1.89916080
  O      2.76503866      1.45003231      2.31491676
  H      1.73780247      2.70505560      5.01137305
  H      0.62734841      4.61936245     -0.49057806
  O      0.59315114      5.17153937      0.30480106
  H     -2.61587446      4.71642029     -1.95945901
  H      1.32067185      4.91685163      0.89337930
          69
 Energy    -248.12405687562867     
  O     16.15344823      5.09465703    -13.86380657
  H     15.29082394      5.46910135    -13.64795546
  H     17.50245760      5.36066263    -12.79453862
  O     18.12095797     14.01347604    -12.09298489
  H     16.19706775      5.04513382    -14.82615608
  H     21.30615169     10.77595494    -17.17164409
  O     20.80445568      9.28859805    -14.43948986
  H     17.49883791     14.72967637    -12.19281349
  H     20.68572833      9.96400068    -16.00866906
  O     15.38475326      7.68936427    -17.07921407
  H     17.90678822     13.37124890    -12.78932317
  H     17.45928915      9.39931180    -15.43468955
  O     16.67027959     10.60360871    -10.05664710
  H     20.40204065      9.70505303    -13.66701532
  H     16.56332393      8.18289166    -15.76906021
  O     15.61220245      8.53075911    -12.82491472
  H     20.45520527      8.38641401    -14.45498049
  H     13.79156644     10.96954735    -13.46434338
  O     17.55734647     11.89385223    -13.77022211
  H     14.58129239      7.86302583    -16.56232809
  H     12.41086804     11.31740844    -14.03223124
  O     19.33329169      6.93229333    -14.47514516
  H     15.58405678      6.74605792    -17.03868509
  H     16.97556232      8.26262612    -11.71816228
  O     13.80514136      6.53151607    -13.15722397
  H     17.04012121      9.72516613    -10.20666368
  H     18.07755527      7.25900492    -11.37427640
  O     18.80840128      5.91837694    -17.04183661
  H     17.43252940     11.19120390     -9.98349941
  H     13.22149500      9.06853926    -15.01936057
  O     16.29293087      5.06551898    -16.72178366
  H     16.13620977      8.52136824    -13.64047497
  H     13.31107422      7.55829729    -14.71652006
  O     18.28063924      5.55489091    -12.24037573
  H     15.38187255      9.45097725    -12.64765395
  H     18.74681979     12.94474891    -10.83004975
  O     20.50755728     10.33810779    -16.89125478
  H     17.61537904     11.71470847    -14.71738334
  H     19.64040912     12.61589087     -9.61059583
  O     17.14699994      8.55307757    -15.09319263
  H     18.15518916     11.27705744    -13.32201561
  H     18.82791278      9.49055256    -11.92969021
  O     13.12208639     10.68464412    -14.10380900
  H     18.55962284      7.48069302    -14.67987774
  H     19.36746244     10.89481681    -11.55546165
  O     17.78756265      8.16104985    -11.19768901
  H     19.10500956      6.41970516    -13.69176066
  H     18.27604099      8.77837693    -18.56018127
  O     13.29658674      8.19912970    -15.43677538
  H     14.41151999      7.26661583    -12.95353141
  H     19.67477205      8.95873458    -17.94940636
  O     19.04399166     12.22684920    -10.24467047
  H     13.23981966      6.42292345    -12.39662503
  H     15.97661924     11.53617368    -12.91057834
  O     19.28104932     10.26863138    -12.28453457
  H     19.14685993      6.14921437    -16.16726745
  H     15.60841531     11.11138969    -11.46743369
  O     19.11183421      8.32314856    -18.40762912
  H     18.94850336      6.69961873    -17.59606164
  H     17.34925654     10.69369745    -17.12431460
  O     15.24088412     11.24312815    -12.35399155
  H     16.13943694      4.27055645    -17.22490335
  H     18.79156157     10.86429422    -16.57112985
  O     17.85579239     10.98654948    -16.35593076
  H     17.22201203      5.32243492    -16.87551261
  H     16.04347703      9.94175285    -19.26301403
  O     16.55641384      9.69626378    -18.49763930
  H     18.57016321      4.72268408    -11.87598214
  H     16.07674355      8.97098230    -18.06058388
          69
 Energy    -248.12394278260805     
  O      1.69238150      0.94575460      4.44497092
  H      1.05835032      0.40975942      4.95413022
  H     -3.93262280     -0.19213713      4.75752238
  O      1.38021517     -2.72919617     -2.44194408
  H      2.41060556      1.16112833      5.03467541
  H     -2.25112424      0.57782828      3.93868089
  O     -0.17754983     -0.64332444      5.59469073
  H      0.53427809     -2.30198366     -2.24872836
  H     -2.39267835      1.79510839      4.88831156
  O     -0.81021191     -1.42081925     -1.23709195
  H      1.43150716     -3.47705731     -1.83459064
  H     -0.18131423      1.51538002      0.33741828
  O      1.53391976     -4.55505253     -0.20661309
  H     -0.98433111     -0.11130986      5.52013129
  H     -0.53070483      2.46461720      1.50363103
  O      3.19078457     -2.62238990      0.74498592
  H     -0.31891956     -1.39635683      5.01208230
  H     -2.08980573     -0.08401315     -1.37190472
  O     -3.43590646      2.97248048      2.10249462
  H     -0.97472448     -2.14044491     -0.61296561
  H     -2.13993303      1.29927212     -0.70286350
  O     -3.34578655     -3.30049872      3.95636547
  H     -0.15922236     -0.84371405     -0.81218079
  H     -1.50669284      0.60559751      1.74519513
  O      0.11870232      2.92847564      3.07206896
  H      2.16886257     -3.92286853      0.17534477
  H     -2.69162722     -0.39598918      1.74595521
  O      3.15792432     -0.88061679     -1.53880638
  H      1.94182950     -5.41593259     -0.16624998
  H     -0.12160998     -3.96395532      0.37485584
  O     -5.47355223      0.95982185      2.41666021
  H      3.35354920     -2.01646598      0.01134014
  H     -0.78697062     -3.19198258      1.54777610
  O     -4.64594154     -0.72974472      4.38464321
  H      2.75896707     -2.09768794      1.43200386
  H      0.87626338     -1.58502691      2.78367346
  O     -2.39862478      0.83094686      4.86318907
  H     -4.11957524      2.29090918      2.13516488
  H      1.74398140     -0.34079637      3.10621964
  O     -0.91017537      2.01908130      0.72806330
  H     -2.78265089      2.69326029      1.45427041
  H     -2.75027858      3.46866084      3.62726643
  O     -2.68176659      0.65731299     -1.17356109
  H     -3.69034334     -4.07292026      4.39691623
  H     -2.59224296      4.42706405      4.83403061
  O     -1.92045094     -0.10412684      2.25036098
  H     -3.54820808     -3.40235374      3.00758158
  H      1.84436828      0.01828088     -0.55503451
  O     -0.92668901     -3.50322216      0.64547996
  H     -0.57940994      3.22470853      3.66846591
  H      1.25434119     -0.18554774      0.86402621
  O      1.60061633     -1.03919087      2.45428270
  H      0.66663782      2.30711269      3.56575553
  H     -1.57038412     -2.79610254      3.63043749
  O     -2.28287328      3.60130948      4.47268016
  H      3.78854805     -0.59870694     -2.19544792
  H     -1.14471842     -1.50886516      2.89879242
  O      1.08732084      0.22898224      0.00579795
  H      2.57618867     -1.53501661     -1.96651017
  H     -3.94516978     -2.54198277      0.97782008
  O     -0.79687534     -2.33513727      3.27917842
  H     -6.39806962      1.17362713      2.51263054
  H     -2.81575132     -3.59627943      0.90594721
  O     -3.68426543     -3.42094094      1.28920076
  H     -5.24761907      0.35154229      3.14313802
  H     -4.74328027     -0.17117708      1.13969604
  O     -4.13731210     -0.75165402      0.66330988
  H     -4.27736870     -1.61279264      4.27167459
  H     -3.75644704     -0.24790027     -0.07207332
          69
 Energy    -248.12390456030315     
  O      4.88692024     -6.66840744     -1.97936043
  H      4.89610794     -5.77241004     -1.61995593
  H     -1.46289712     -6.44412290     -1.17801792
  O      1.40759655     -8.57629353     -3.91947873
  H      4.43880849     -7.19726520     -1.30506712
  H      3.32564699     -4.67284697     -0.84469880
  O     -1.02182743     -8.01300021     -0.20884473
  H      2.19327699     -8.05171760     -4.11006959
  H      4.32322483     -4.32144011      0.27495647
  O      0.63576547     -2.58103314     -2.57885821
  H      0.64465679     -7.98157518     -3.99470018
  H      0.55252654     -5.59472168     -4.02211379
  O      3.52854133     -6.75698787     -4.32700022
  H     -1.72926367     -8.57235363     -0.55262780
  H      2.10280992     -5.52764318     -4.02579249
  O     -1.56703311     -3.08700014     -1.08774625
  H     -0.20231673     -8.40222454     -0.54553889
  H      1.79194137     -6.81933469      2.45832695
  O     -0.74944543     -6.87459037     -4.17673799
  H      0.89071971     -3.35396747     -3.10074865
  H      2.80962120     -7.43765468      3.44431563
  O      2.10861602     -2.43720834      1.49081725
  H      1.43383352     -2.26917467     -2.13691472
  H     -0.26752978    -11.46399589     -2.80152266
  O      0.14051544    -10.93959082     -4.61107432
  H      4.14481676     -6.71069282     -5.05327568
  H      0.20466569    -10.82415574     -1.48850919
  O      1.25672030     -9.30466233     -1.22227831
  H      4.05698791     -6.74612054     -3.50980170
  H      2.58254809     -6.95995765     -0.38277886
  O      0.07914740     -4.17331952      0.85426501
  H     -0.81489325     -2.84606769     -1.65892361
  H      3.13012612     -7.55288710      0.93024955
  O     -1.68653926     -5.83358759     -1.89202044
  H     -2.25016875     -2.44027357     -1.23901630
  H     -3.45229058    -10.38584890     -1.26249135
  O      4.18305010     -4.24731675     -0.67749359
  H     -1.12918624     -6.47028716     -3.37830612
  H     -1.95062417    -10.51830408     -1.61031839
  O      1.30904344     -5.06021890     -3.73984393
  H     -1.32650228     -7.62042790     -4.39152716
  H      1.45082661     -5.37972372     -1.89672024
  O      2.74137686     -6.87384726      2.67848376
  H      2.39905253     -2.08429735      0.64065747
  H      1.11041087     -5.07529663     -0.39797174
  O     -0.45967595    -11.42455610     -1.85635137
  H      2.79868465     -3.04574549      1.78130817
  H     -1.52331681     -9.91023034     -4.52117041
  O      3.13146153     -7.67813231     -0.02429751
  H      0.67915797    -10.14913013     -4.43925762
  H     -2.45418196     -9.37576225     -3.41870641
  O     -2.68997990     -9.88738850     -1.54549891
  H      0.52430934    -11.37352560     -5.36867420
  H      3.60336959     -5.29937797      2.34979231
  O      1.74443482     -5.50461268     -0.98644034
  H      1.99060126     -8.89782997     -0.74497173
  H      4.72471499     -4.35625052      2.83165228
  O     -2.17617577     -9.22624719     -4.33106300
  H      1.34801860     -9.04664555     -2.15001837
  H      3.55158306     -2.61795880     -1.08806902
  O      4.07581422     -4.47775021      2.14207772
  H     -0.57845527     -3.73366410      0.30146015
  H      3.63384732     -1.12295963     -1.47361272
  O      3.03209599     -1.80173291     -1.17727143
  H      0.71131757     -3.50242346      1.15014709
  H     -0.31164590     -7.22242609      1.33247058
  O      0.16230022     -6.68541753      1.97985346
  H     -1.73205897     -4.94246735     -1.53223928
  H      0.02978348     -5.76664259      1.70404517
          69
 Energy    -248.12354282089555     
  O     10.93641748     11.13289994    -12.05562222
  H     10.74053686     10.47245239    -11.37793669
  H     16.34335555     11.13446138    -15.42040248
  O     13.83434808      7.25947862    -15.32709766
  H     11.89893633     11.14169413    -12.13664389
  H     16.06289561      8.67824158    -13.28863379
  O     18.82994747      9.70928951    -16.67381053
  H     14.21807417      6.80294551    -16.08405099
  H     16.86001890      7.81722401    -14.29275268
  O     12.81916755      9.80203233    -15.17616763
  H     14.59216655      7.52792962    -14.78003467
  H     11.58582715      8.57902493    -10.51161335
  O     12.49625925      6.27468887    -13.10083505
  H     18.03621446      9.37505051    -17.13091236
  H     10.45403596      8.67559477     -9.46202017
  O     16.43004312     10.28504849    -12.37015860
  H     19.45127888      9.97043376    -17.34743165
  H     18.34584339      5.83068975    -10.17337351
  O     16.49811299      8.81654728    -17.71043583
  H     13.05619605      8.86889377    -15.28647979
  H     17.42917224      5.96307827    -11.41299048
  O     13.99018171      4.14164419    -12.23958784
  H     11.86675532      9.85923403    -15.03219998
  H     10.02982341      8.35254464    -13.49868606
  O     18.64588865      7.66078897    -14.78944538
  H     11.59788743      6.63575343    -13.07951400
  H     10.12088172      7.97496634    -12.01143228
  O     15.52262096      6.14248214    -17.25820050
  H     12.89936861      6.53876517    -13.93855285
  H     18.66732084      7.93939304    -11.65671008
  O     17.34753594      5.29360081    -15.42973258
  H     15.48956745     10.51335636    -12.33633407
  H     18.22602838      9.33130336    -12.15288509
  O     17.12854721     11.14310440    -14.85922838
  H     16.76588556     10.66897639    -13.19709990
  H     15.59096418      4.86874997    -12.52964620
  O     16.00401144      7.89696731    -13.84866684
  H     16.13608670      7.93156355    -17.58826085
  H     16.15645307      6.22743067    -13.06009832
  O     10.66330290      8.85825025    -10.37408552
  H     15.84157584      9.44480210    -17.38408613
  H     16.49549344      7.67357419    -10.33989781
  O     17.90209399      6.46653373    -10.72823337
  H     13.48144248      3.34025751    -12.15077709
  H     16.12250926      9.08130611    -10.84346256
  O     10.10127629      7.59919764    -12.90067397
  H     13.36511257      4.82840194    -12.52380151
  H     14.55996351     11.63866091    -17.13641665
  O     18.91881323      8.66799998    -12.23984696
  H     18.83974893      8.34988359    -15.43628095
  H     14.09410069     10.56724766    -16.12699076
  O     16.40551882      5.35385600    -12.72479333
  H     18.89409421      7.99948272    -13.91630724
  H     14.08998056      8.07458058    -10.73878559
  O     15.79357065      8.33528542    -10.32849632
  H     15.46410184      5.51162315    -17.97071953
  H     13.07118130      7.41041762    -11.74424479
  O     14.86403563     10.89729952    -16.61773720
  H     16.17624344      5.79024450    -16.62729265
  H     13.47256041      9.64137317    -12.04836029
  O     13.18679077      8.10873680    -11.08706546
  H     17.05135903      5.05636802    -14.54286359
  H     13.43182374     10.26032255    -13.47156614
  O     13.66246302     10.44708821    -12.55175048
  H     17.96961484      6.02411564    -15.29729284
  H     10.35165417     10.51524226    -13.58418738
  O     10.13764972     10.05173102    -14.41442695
  H     17.82965462     10.75725518    -15.39722932
  H      9.37041070     10.48197170    -14.78222181
          69
 Energy    -248.12341932558689     
  O     -2.52026423      3.56837035      3.98708349
  H     -3.21220192      4.13393165      3.62946553
  H     -5.19753563     -3.64174869      3.46494297
  O     -0.35937460      4.13236892      2.25589301
  H     -1.76502822      3.67405738      3.38960994
  H     -2.52244100      3.07266431     -0.14542872
  O     -0.88376839     -0.33117136      3.24961191
  H     -0.91528353      4.45227346      1.53949283
  H     -3.21400038      1.99404558     -1.04348292
  O     -4.11993277     -1.16885094     -1.39507647
  H      0.20425913      3.42728905      1.89981375
  H      1.43271637      1.62459730      2.40427276
  O     -1.82214845     -2.14322662     -0.36984406
  H     -0.09937780      0.03068252      3.67852756
  H      0.69038774      1.35384462      1.07951928
  O     -4.25109139      1.00788413      1.57788423
  H     -0.82828683     -0.08285527      2.31495174
  H     -5.06142347      4.39192164      2.31519113
  O     -6.05491362      3.01151035      2.05923906
  H     -4.29211332     -0.28375385     -1.73253974
  H     -4.88624615      5.85408440      2.79544845
  O     -8.07721026      0.21648615      0.72887193
  H     -4.75794658     -1.30911484     -0.67968323
  H     -2.51072927      5.60867324     -0.13843083
  O     -3.19742280      0.90135981      4.13973069
  H     -1.49158072     -2.83250796     -0.93963265
  H     -3.16794660      4.98510179      1.11311716
  O     -4.62114667      1.58363914     -2.13169133
  H     -2.63874424     -1.80654987     -0.78085562
  H     -4.87252831      0.15639733      4.46887106
  O     -5.69769177     -1.25353860      0.87638826
  H     -3.59230944      1.34143500      0.95770040
  H     -5.57027359     -1.14898670      4.05155418
  O     -5.03822999     -2.75094613      3.16545125
  H     -3.84193956      0.92216225      2.44956451
  H      0.28439334      3.90267061      4.05165988
  O     -2.56195002      2.12913761     -0.34122308
  H     -5.42124755      2.30681355      1.84890721
  H     -0.68161102      3.49822201      5.15118776
  O      1.22596422      2.01091510      1.54499292
  H     -6.74961880      2.58047594      2.57233338
  H      2.09664696      0.84257656      4.83000402
  O     -4.41164333      5.10698487      2.44038230
  H     -7.35058071     -0.42268521      0.72106906
  H      0.98893161      1.89458161      4.59751231
  O     -2.48251419      4.84939982      0.43967299
  H     -8.11108855      0.54416720      1.63499121
  H     -8.45935800      1.29071294      4.08174267
  O     -5.73980971     -0.26492903      4.39855662
  H     -2.98129794      1.84357710      4.18627385
  H     -7.05809184      0.70799170      3.79461565
  O      0.25363469      3.48594126      4.92523049
  H     -2.37755478      0.42895632      3.94034426
  H     -1.86277686     -1.88229677      2.82811819
  O      1.34673625      1.04867641      4.27813450
  H     -4.82153842      1.78769019     -3.04122773
  H     -2.26281778     -2.47692561      1.46435242
  O     -7.76161053      1.27662263      3.43233791
  H     -5.41265926      1.81637642     -1.61278328
  H     -1.30221972      0.93502575      0.15510157
  O     -2.44976134     -2.52459706      2.40966207
  H     -5.57725644     -1.87783807      1.60096590
  H     -0.98445966     -0.58321375      0.15231805
  O     -0.70566009      0.26537597      0.51845475
  H     -5.21598101     -0.45030451      1.13097239
  H     -6.57027395      2.74858200      0.17827633
  O     -6.76016472      2.24648942     -0.62111807
  H     -4.09254072     -2.69761864      2.93652866
  H     -7.31649575      1.51563723     -0.31190988
          69
 Energy    -248.12333637776780     
  O      1.51379491     -1.54155665      5.18966227
  H      0.59208428     -1.83833491      5.29524044
  H     -4.07533767     -0.66134233      4.25428395
  O      1.71970223     -0.91702567     -2.63945487
  H      1.99656766     -1.85910858      5.94847731
  H     -1.11907925      3.10152574      2.06354263
  O     -1.12479356     -2.19385867      5.16981312
  H      0.99203640     -0.40747827     -2.26089033
  H     -2.10255147      3.21092422      0.89818929
  O     -0.28932971      0.27644176     -0.97315499
  H      1.47391788     -1.84418158     -2.52873569
  H     -2.12128548      0.11293615      3.87178641
  O      1.06499505     -3.58752034     -1.78963090
  H     -1.65224289     -1.38572108      5.23031218
  H     -2.87647171      1.14345709      4.70949691
  O      2.87523327     -3.09749726      0.16729944
  H     -1.24533318     -2.52230169      4.27201807
  H      0.97768876      1.52268904      1.90211493
  O     -3.63998124      2.56835693      3.93031462
  H     -0.69542011     -0.59381569     -0.85513339
  H      0.43280721      1.78116623      3.34410936
  O     -3.96859865     -3.30853020      2.26539652
  H      0.41370723      0.33591286     -0.31120706
  H     -1.46690263      1.64132364     -0.95273632
  O      0.38235970      1.10887887      5.00058832
  H      1.72739325     -3.49572991     -1.08102450
  H     -2.15491095      2.81321109     -1.68664066
  O      3.79760037     -0.60119831     -0.90493210
  H      1.22984465     -4.42302952     -2.21804327
  H     -1.00525513      0.69581475      2.15235145
  O     -5.72479469      1.22108737      2.43869947
  H      3.35113178     -2.31327375     -0.13395477
  H     -2.39437521      0.21430412      1.60128942
  O     -4.83125203     -0.98859472      3.75268929
  H      2.48850299     -2.86563281      1.02184580
  H     -0.44998450     -2.87539422     -1.03581884
  O     -1.99810560      3.43264094      1.82871088
  H     -4.43683242      2.27302630      3.47664719
  H     -1.10163531     -2.59684535      0.34741909
  O     -2.43264918      0.28298070      4.77484443
  H     -3.08214962      2.96110524      3.24213571
  H      0.58801275     -2.44825531      2.37607175
  O      0.29598332      1.98423519      2.40601667
  H     -4.49680019     -4.10208983      2.28586303
  H      1.65336496     -1.92457020      3.36694665
  O     -2.16222114      2.31576989     -0.87273972
  H     -4.05391615     -2.93038766      1.37031880
  H      2.58567189      0.06672169      0.35172114
  O     -1.63702913     -0.03473466      2.14694853
  H     -0.54898133      0.91740861      5.15923720
  H      1.69680575     -0.56485065      1.45445114
  O     -1.14769723     -2.37678841     -0.59067519
  H      0.85286011      0.27463636      5.11435879
  H     -2.15135450     -3.05610679      2.30049464
  O      1.49408286     -2.11829711      2.43418383
  H      4.59240827     -0.25678661     -1.30241154
  H     -1.36293681     -1.71695250      2.22259807
  O      1.81220650      0.22384383      0.90623661
  H      3.13256519     -0.67269907     -1.61312503
  H     -3.99901702     -1.18764639     -0.00667428
  O     -1.25906816     -2.68494613      2.27609322
  H     -6.66764230      1.33980611      2.51408428
  H     -3.04573068     -2.28175445     -0.52306367
  O     -3.92960446     -2.14111100     -0.16065659
  H     -5.50374464      0.40214735      2.91834540
  H     -4.51191228      0.92523496      1.07658165
  O     -3.82804342      0.55291678      0.50455993
  H     -4.54733360     -1.79952490      3.31535690
  H     -3.42906323      1.25975966     -0.01787029
          69
 Energy    -248.12325204055702     
  O     10.48759987     10.79680163    -14.13129065
  H     10.45414416     11.75586075    -13.98765372
  H     16.38674499     11.88604545    -17.82949012
  O     15.39793084      9.95022220    -10.45689959
  H     10.59919335     10.66314241    -15.08146170
  H     13.34817260     15.24715162    -12.55914966
  O     18.04669585     13.33858152    -13.30829461
  H     14.43669525     10.07990149    -10.42962762
  H     13.37878549     13.75797788    -12.98359307
  O     12.37466773     13.24190594    -10.23714647
  H     15.62543096      9.44907776     -9.67659791
  H     11.22927095     13.60655094    -15.46671589
  O     12.66505500     10.41348608    -10.73881840
  H     17.54161784     13.01963006    -12.53993042
  H     11.60542543     12.54015935    -16.50538443
  O     13.05194126     10.07626466    -13.40480145
  H     18.93189671     13.51632224    -12.99921343
  H     15.16016012     12.37700183    -12.72853728
  O     14.80066237     16.34202929    -12.16365206
  H     12.46501576     13.67834795    -11.09800529
  H     14.04179631     11.55251275    -13.45249927
  O      9.89739042     10.07336884    -11.48614342
  H     12.54071460     12.30181569    -10.38209690
  H     16.92639112     11.09204327    -15.47360808
  O     14.55627088     13.62605229    -15.83795878
  H     11.72302647     10.21885380    -10.68726010
  H     17.66443325     11.73396688    -14.28145781
  O     13.78205260      9.76798823    -16.86254231
  H     12.87807633     10.27982363    -11.67715724
  H     10.81602148     10.41888167    -17.63838228
  O     10.41322860     13.52006826    -13.66654027
  H     13.40080819      9.31011201    -13.87411602
  H     12.14813235     10.33510017    -16.85678998
  O     15.93964685     11.61054109    -17.03303007
  H     12.17065895     10.28176471    -13.74442806
  H     16.71056688      9.60994534    -13.58035953
  O     12.78830860     14.47782231    -12.71299299
  H     14.86186953     17.29330902    -12.16046078
  H     16.03079123      9.25240524    -12.22159717
  O     11.81628538     13.43464270    -16.21206745
  H     15.33909644     16.02784898    -12.91218107
  H     14.33117352      7.03609218    -14.73476978
  O     14.46430037     12.41943098    -13.39401040
  H     10.02983794     10.23445628    -12.43467744
  H     15.09967829      8.25055206    -14.15767923
  O     17.36840215     10.88985147    -14.64072924
  H      9.19350447      9.43247527    -11.41716584
  H     15.96206837     13.12183171    -10.81824600
  O     11.23344223     10.66793704    -16.81803175
  H     14.59632710     13.17177379    -14.98075615
  H     16.16399421     11.57653254    -10.95327470
  O     16.25863370      8.90543884    -13.08857835
  H     13.61597572     13.68550441    -16.05894131
  H     10.43385738     13.13558966    -10.61001122
  O     14.35242283      7.98860683    -14.72782772
  H     14.53839180     10.35801500    -16.96683057
  H      9.57360607     11.95734173    -11.08124749
  O     16.39333637     12.42767844    -11.34272124
  H     14.04322451      9.10163871    -16.21538725
  H     15.65873281     14.88307045    -14.92411723
  O      9.61026567     12.92081750    -11.06599673
  H      9.93248232     13.41269289    -12.83329919
  H     16.88336763     14.67763543    -14.00284278
  O     16.20026329     15.31335809    -14.24995671
  H     11.23985786     13.95779899    -13.41215584
  H     14.94833472     15.12314907    -10.67430269
  O     15.00712794     14.37800941    -10.06296055
  H     15.46555431     12.38917673    -16.69326003
  H     14.10507535     14.06046789     -9.92770361
          69
 Energy    -248.12323618162537     
  O     15.32202509     11.76869601    -11.37683380
  H     15.99864049     11.39171869    -10.80135610
  H     17.37953327      4.94552358    -12.15200650
  O     14.38897256      6.95395906    -14.87804721
  H     15.65465760     11.67201740    -12.27914370
  H     19.39856612      9.00246558    -11.80502972
  O     19.62248937      7.23395669    -11.90372728
  H     13.51557456      7.23509154    -14.57625249
  H     19.20492018     10.28913763    -12.65017222
  O     14.34451457     11.00877703    -16.01576559
  H     14.52371278      6.06422699    -14.52404430
  H     15.54832387      7.87373664    -13.84023621
  O     13.02926895      5.27480513    -11.44541417
  H     19.64058968      6.77784783    -12.75320212
  H     17.04814990      8.24075173    -13.90280980
  O     12.00333938      7.68690191    -13.64264680
  H     19.02918597      6.72042424    -11.34243456
  H     12.22731499     11.47207978    -10.86653314
  O     16.01784602      8.08082007    -10.68451233
  H     13.96697226     11.60907122    -16.65276330
  H     13.68308056     11.23404726    -11.33433727
  O     18.24155703      8.31412149    -15.37997957
  H     13.63072505     10.77890519    -15.39266522
  H     13.22651061      3.80674271    -14.47317499
  O     10.79123887      5.16716237    -13.29223256
  H     13.07775557      6.20353042    -11.18679314
  H     12.54404952      3.33684718    -15.77012923
  O     19.32189880      5.98815734    -14.46469782
  H     12.18699212      5.17823952    -11.90681130
  H     12.17392985      9.45388881    -14.13327606
  O     15.82101156      8.59268036    -16.65716320
  H     11.47091707      6.88464018    -13.58534264
  H     12.54741057     10.66322985    -13.26660711
  O     17.26636570      4.59126169    -13.04279377
  H     12.43886032      7.79326383    -12.78330836
  H     16.96361969      6.57726215    -10.47984689
  O     19.17547048      9.94481628    -11.75278520
  H     16.41716680      8.86163768    -10.28175120
  H     17.43406553      5.35107789     -9.66610072
  O     16.25121862      8.34238773    -13.36896702
  H     16.14753088      8.16701067    -11.64425745
  H     14.16314409      4.73795689    -12.76378786
  O     12.77594362     10.88114757    -11.37531251
  H     18.59138249      9.19083310    -15.18130644
  H     15.55694679      4.44284529    -13.42301511
  O     12.36392449      3.59935276    -14.87142211
  H     17.45174210      8.42333380    -15.93360629
  H     19.27514471     11.70990932    -14.80708839
  O     12.46927309     10.37315478    -14.18299248
  H      9.92271597      4.79106717    -13.17788090
  H     17.94676051     11.09822354    -14.29919576
  O     17.57170985      5.81984286    -10.48534176
  H     11.27441420      4.57788612    -13.89778485
  H     14.20084895      8.07341292    -10.92625940
  O     14.60633429      4.50520043    -13.59352812
  H     19.96428655      5.62652663    -15.06986275
  H     13.01809888      9.04086319    -11.13755145
  O     18.88735655     10.90998783    -14.46176671
  H     18.96719773      6.79221476    -14.88079510
  H     18.02303183     10.29438627    -10.54564825
  O     13.26295085      8.10686658    -11.16043386
  H     15.34014185      9.42221944    -16.55764903
  H     17.75834791     10.70722292     -9.07739869
  O     17.32336353     10.43158213     -9.87923667
  H     15.28720780      7.93271752    -16.19176841
  H     16.14797573     10.13485657    -13.68800860
  O     16.20353662     11.06770605    -13.94666300
  H     17.95531704      4.99756247    -13.58101273
  H     15.59508775     11.17968111    -14.68809862
          69
 Ord_Energy   -248.123230    
 O    6.60670996       2.07912540      0.873987496    
 H    5.82611847       1.57097626      0.627657413    
 H    6.30692005       2.82208872       1.41636395    
 O    5.85768318       1.36980164      -2.64876437    
 H    6.67675114       1.73205268      -2.28979182    
 H    5.50932693       2.04947209      -3.23701835    
 O    2.24083710       3.87480092      -3.18734217    
 H    1.40736532       3.74339223      -3.63039088    
 H    2.27621555       4.81572533      -2.92679119    
 O    7.87412357       3.86885834      -4.08865547    
 H    6.93896389       3.80405521      -4.31283188    
 H    7.97022057       3.42412472      -3.23766541    
 O    3.24863720       5.12260532       1.32945025    
 H    3.06956482       4.41464329      0.697076619    
 H    3.27071571       5.95101547      0.829623580    
 O    3.44881701       7.57513618       1.41833303E-02
 H    4.34195948       7.57610655     -0.362613887    
 H    3.49551868       8.10652542      0.818305194    
 O    4.97457314       3.82465005      -3.98672342    
 H    5.23333311       4.19450951      -3.12632585    
 H    4.01292610       3.75067067      -3.94356465    
 O    5.72060728       5.66294193       4.72611809    
 H    6.04156113       6.47901964       4.30071449    
 H    6.13553572       5.61458397       5.58270216    
 O    6.98167849       8.14801216      -3.47919965    
 H    7.71421242       7.51005554      -3.39667606    
 H    7.34481239       8.94146919      -3.86210680    
 O    9.42137814       5.17506409     -0.503560126    
 H    8.79958344       5.61052656      0.103272021    
 H    10.2826805       5.22164297      -9.53418463E-02
 O    7.89817619       2.95214343      -1.31833339    
 H    8.52826595       3.63747501      -1.06027555    
 H    7.55380630       2.56126857     -0.496759325    
 O    3.23665905       3.22210169     -0.648814857    
 H    3.51473355       2.30238318     -0.552327633    
 H    2.80391240       3.32438660      -1.50646746    
 O    2.54363513       6.43983412      -2.47482586    
 H    2.70786786       6.90310478      -1.64703822    
 H    3.24158001       6.70393276      -3.09392810    
 O    6.46724367       7.83917141       3.27393937    
 H    5.65897608       8.25521851       2.94943810    
 H    6.92402887       7.47713900       2.50432301    
 O    5.57839155       4.60264826      -1.40760803    
 H    6.35299540       4.04185057      -1.27943289    
 H    4.81007957       4.14288712      -1.04409301    
 O    4.41328573      0.711695373     -0.443265200    
 H    4.90623331      0.840739846      -1.27361989    
 H    4.19209146     -0.214161709     -0.391833335    
 O    3.10680795       6.43083382       3.80662298    
 H    2.99719381       5.86612082       3.02821422    
 H    3.88773513       6.09908962       4.26617718    
 O    5.96986246       7.27742147      -1.02767038    
 H    6.30292130       7.70321035      -1.82587540    
 H    5.80247402       6.34586763      -1.24728274    
 O    8.86859608       6.27178955      -3.13027263    
 H    9.13897038       5.98980665      -2.25024796    
 H    8.58530617       5.46923399      -3.59292841    
 O    4.62082624       6.76809311      -4.28941727    
 H    5.43848372       7.24897814      -4.11052084    
 H    4.87193489       5.85585165      -4.46166992    
 O    3.81580949       8.75130177       2.56523752    
 H    3.49350476       7.97930717       3.06446767    
 H    3.40759254       9.52022171       2.95513725    
 O    7.47638512       6.32706022       1.05897868    
 H    6.91760778       5.62459469       1.42198825    
 H    6.97278309       6.76044130      0.352878124    
 O    5.78356504       4.40110922       2.21214199    
 H    4.90442801       4.64226484       1.88595223    
 H    5.81515789       4.67099524       3.13855505    
          69
 Energy    -248.12301338224984     
  O     16.80465628     12.56476606    -13.35392190
  H     16.15672955     13.18740806    -13.00320122
  H     10.89779217      8.67454722    -10.07961150
  O     11.31575118     10.85794225    -14.90253365
  H     17.23989775     12.18076913    -12.58131964
  H     15.40110619      5.93078313    -10.35166628
  O      9.69689873      9.35906723    -13.08085179
  H     11.84844351     10.18942135    -15.34842437
  H     14.39327997      6.49956790    -11.35506836
  O     13.23661638     11.72126413    -13.14278217
  H     10.67681220     10.38320956    -14.35534420
  H     11.56461435      6.42676198     -9.57774487
  O     15.33974915     10.54678948    -14.48228691
  H      8.74669618      9.40196193    -13.02035075
  H     10.83061097      6.87324477     -8.29205963
  O     15.34496024     12.28984608     -9.95780848
  H     10.04241659      9.44323969    -12.17320257
  H     13.99646241     13.24303048    -12.53884373
  O     17.49304766      8.74559990    -11.11434535
  H     14.00411206     11.31359175    -13.57194913
  H     14.12306293     14.76960765    -12.34015624
  O     14.34480051      4.80951166    -13.69197435
  H     12.48329035     11.56323753    -13.72662622
  H     15.42029725      7.60168417     -8.91072423
  O     17.84872239     11.41421829    -10.95961788
  H     15.74446850      9.73827941    -14.14025104
  H     16.66116382      6.93889215     -8.27033200
  O     13.82848549      8.05261182    -12.03968703
  H     15.92972761     11.27501654    -14.23605854
  H     11.77664642      4.92263098    -11.45368674
  O     11.51652090      4.86398665    -13.34350636
  H     15.11591632     12.99111742    -10.58103071
  H     13.04388237      5.14079283    -10.60854702
  O     10.79967163      9.46387326    -10.62757468
  H     16.23220612     11.99826629    -10.20556511
  H     15.52624339      6.07526467    -16.33278236
  O     14.77234623      5.66610638    -11.03145611
  H     17.11061917      8.17012491    -10.44224683
  H     14.81619136      5.87955858    -14.97226886
  O     11.34394500      7.19867870     -9.02710702
  H     17.16631912      8.43596224    -11.96921469
  H     13.90182149      8.03899257    -15.75376299
  O     14.56480388     13.94125168    -12.17221179
  H     14.65756824      4.97581118    -12.79299968
  H     14.00514202      9.50493109    -15.30584331
  O     16.24317153      7.11985158     -9.10817366
  H     13.39260533      4.67337025    -13.61587620
  H     12.22269363      7.99447719    -14.45928263
  O     12.07889011      5.09644907    -10.55493306
  H     17.74225603     10.44733269    -11.00612319
  H     10.93642789      8.12703017    -13.57525899
  O     15.08202289      6.54545067    -15.63211399
  H     18.72655112     11.57559084    -10.62407483
  H     13.04569352      7.98007768     -8.72747365
  O     13.37080579      8.82814435    -15.58130349
  H     13.02393874      7.90942493    -12.55295665
  H     13.76664588      9.24748498     -9.20798003
  O     11.68408117      7.55313410    -13.78668889
  H     13.71259328      8.85007699    -11.51090764
  H     15.34387671      8.07072244    -12.97896420
  O     13.89170810      8.44412704     -8.69167007
  H     11.52759536      5.81605332    -13.54392658
  H     16.00248378      7.52060717    -14.26137773
  O     16.16501815      8.08396377    -13.49684660
  H     10.82139374      4.47762682    -13.86972459
  H     13.26072582     10.89718938    -11.55166260
  O     13.43322027     10.51104569    -10.67979493
  H     11.62478456      9.95465562    -10.53283491
  H     14.10717758     11.08511336    -10.28484855
          69
 Energy    -248.12287731903007     
  O     11.04251436     10.25010076    -11.42995309
  H     11.78926142     10.76815980    -11.75543077
  H     17.18850458      6.93532787    -16.67521179
  O     13.75286812      7.81229988    -15.28824868
  H     10.52358231     10.01243689    -12.20874400
  H     16.02467232     12.22020637    -14.26806482
  O     17.62761885      9.08634780    -10.07426146
  H     13.49913310      7.15009759    -14.63014888
  H     15.51286386     13.67944587    -14.24386518
  O     18.15698514      9.72693351    -16.55129004
  H     13.14468646      8.55833637    -15.20460560
  H     16.31808217      9.57734148    -14.13858879
  O     12.22623631     10.08038014    -14.85207940
  H     17.39010033      8.17443470    -10.32300715
  H     15.13620821      8.56235551    -14.39569941
  O     13.20676664      6.01645044    -13.25692809
  H     17.84799995      9.07160643     -9.14681198
  H     10.85434154      7.91697465     -9.28420003
  O     15.15584234      9.71048038    -11.31963294
  H     17.43208197      9.85810808    -17.17732204
  H     11.26057947      8.77571137    -10.50493036
  O     15.83853298     10.04568930    -18.16728862
  H     18.24527511      8.77330501    -16.43999849
  H     16.72635515      7.28124703    -13.64083464
  O     15.34088462      4.35715368    -13.74875913
  H     12.61298507     10.49259528    -14.06626525
  H     17.66379529      6.45466581    -14.52401040
  O     17.35907202     11.09991750    -14.35411084
  H     11.33250917      9.80838481    -14.61026069
  H     11.41837231      6.43166501    -12.97853510
  O     15.62559048      7.35113624    -17.29216579
  H     13.84501601      5.31781085    -13.45723328
  H     10.75295674      7.06432495    -11.74413751
  O     18.08882573      6.82788428    -16.31464754
  H     13.50009134      6.42955685    -12.43236536
  H     18.52723624      9.89414487    -11.47225498
  O     15.22185448     12.77124129    -14.25737197
  H     15.40919726      9.38103309    -12.19937634
  H     19.77933291      9.83692284    -12.35620115
  O     15.83714721      8.82046710    -13.78247311
  H     15.95319720      9.68071703    -10.78034116
  H     15.82184018      6.63246711    -10.82082892
  O     11.34832602      7.89422314    -10.09927700
  H     15.21525952     10.51200516    -17.58240911
  H     17.01916718      6.44119619    -11.78802358
  O     17.20679661      6.43952534    -13.67411583
  H     15.72403179     10.41728400    -19.03781317
  H     13.37802362     10.91227104    -16.07823901
  O     10.59850315      6.84137554    -12.67024457
  H     16.03203602      5.03726398    -13.75986906
  H     14.50460298     11.92164288    -15.81065014
  O     18.94993574     10.29742823    -12.24406918
  H     15.75193605      3.56923863    -13.40147148
  H     13.09502103      7.35327187    -10.47464549
  O     16.78647604      6.63770204    -10.87132875
  H     17.94465082     10.89702964    -13.61091167
  H     14.32819895      8.12379602    -10.98187732
  O     14.14508748     11.33438796    -16.48577361
  H     17.73886737     10.70556289    -15.15455595
  H     13.96905858     10.83312490    -12.07202165
  O     13.97272813      7.23202521    -10.85852289
  H     14.90344097      7.39405324    -16.65019761
  H     13.93797522     11.96255535    -13.12397113
  O     13.37294339     11.36090811    -12.62383254
  H     15.65134489      8.22194983    -17.70808268
  H      8.90143957      9.11842593    -14.08520421
  O      9.80538948      9.17497176    -13.78875305
  H     18.56585605      6.28247807    -16.93457276
  H     10.04857085      8.29277887    -13.45333460
          69
 Energy    -248.12281615866749     
  O     12.14523399     10.01890841    -11.64936100
  H     12.43353929     10.92331302    -11.48547054
  H     19.35067245     11.27648322    -14.59026408
  O     16.21697547      7.79308980    -14.71462076
  H     12.08937376      9.93298870    -12.61192838
  H     14.80324889     13.23436547    -14.15302997
  O     18.13541067     10.42668367    -11.32392333
  H     15.77095053      7.29042569    -14.01775849
  H     13.40380149     12.97568150    -14.74008947
  O     16.50597977     12.55269782    -14.49227779
  H     17.09855142      8.01915205    -14.38607264
  H     15.62582350     10.96039167    -14.09602481
  O     12.54296329      7.41580912    -15.66506201
  H     17.21678343     10.72567794    -11.24085030
  H     15.58748359      9.39452461    -14.11716962
  O     15.38811447      8.93879530     -9.33751843
  H     18.27324758      9.78086637    -10.62032630
  H     12.86877579      8.54717315    -11.05662382
  O     15.09950679      6.49153440    -12.53282493
  H     17.29722098     12.60174042    -13.94240172
  H     12.55590834      7.15391341    -10.47261721
  O     15.46199703     11.05360445    -11.16582480
  H     16.80936628     12.40479506    -15.39797840
  H     18.15033099      7.14512022    -12.32284887
  O     17.41059120     11.80366380    -17.03002253
  H     12.71850119      6.59805390    -15.17912771
  H     17.85688881      7.12951146    -10.81448609
  O     14.96814670     10.75294542    -17.37475675
  H     13.28091353      7.52789159    -16.27584959
  H     13.43860642      4.22531568    -14.17323304
  O     14.95505275      7.93194661    -17.12414020
  H     15.36639579      9.74434782     -9.87300431
  H     13.96585206      5.53426793    -13.56736620
  O     19.34124538     10.59321633    -15.27222129
  H     14.66052485      8.40300277     -9.67401896
  H     19.51427407     13.04084399    -12.63728343
  O     13.86038145     13.36767063    -13.98630842
  H     15.98027523      6.45270228    -12.13090402
  H     18.75139683     11.72357682    -12.37269707
  O     15.17288457     10.18229526    -13.74539339
  H     14.51008519      6.95454121    -11.92443855
  H     18.36074292      9.21280045    -12.77396148
  O     13.27380696      7.71402937    -10.75759032
  H     14.77593356     11.72566665    -11.08428442
  H     18.92639932      9.19268759    -14.20912402
  O     17.69456121      6.64593426    -11.63359618
  H     15.30719984     10.63175164    -12.02571026
  H     17.06543861      8.53341075     -9.28630744
  O     13.31147995      5.17052519    -14.18425208
  H     16.54302431     11.39873033    -17.21314935
  H     18.37052765      8.20455426     -8.51861697
  O     18.94165568     12.39737395    -13.04695923
  H     17.65035959     12.29861009    -17.80887439
  H     11.82300934     12.06065585    -16.57823597
  O     18.54657052      8.62803305    -13.51993918
  H     14.16814094     11.13910590    -17.00037194
  H     12.47480706     11.13911870    -15.52066675
  O     18.02415065      8.38454260     -9.38797567
  H     14.87392754      9.79315751    -17.33027867
  H     12.81430445     13.45325928    -11.00116116
  O     12.64265103     11.88587273    -16.12274060
  H     15.34972986      7.32957068    -17.74994659
  H     13.40911496     12.97034435    -12.34368345
  O     13.22340584     12.70406242    -11.42536379
  H     15.45565084      7.83986299    -16.29456734
  H     12.42668094      8.94173773    -14.81065030
  O     12.50668698      9.81122766    -14.38953358
  H     18.73331942     10.91266165    -15.95006759
  H     13.43521312      9.93350650    -14.13816549
          69
 Energy    -248.12260688296172     
  O     12.47111911     11.96713484    -16.23546209
  H     12.99445685     11.37028705    -16.79256218
  H     13.94171335      6.96227949    -19.54673310
  O     11.09499627      7.52015624    -13.62927814
  H     12.73888197     12.87710558    -16.40354751
  H     13.75332054     14.00148004    -18.35737702
  O     13.29971731     11.08346978    -13.75032123
  H     10.87689395      7.40085001    -14.56208419
  H     13.38034269     13.02487150    -19.49757849
  O     10.23460298     10.41597311    -16.05024396
  H     10.81566348      8.41754539    -13.40859684
  H     16.98924980      9.13689280    -17.68227886
  O     10.80721471      7.69696404    -16.50180464
  H     12.99915324     11.41473317    -14.61020007
  H     16.53778203      7.86426282    -18.43894054
  O     16.33447037     10.54210004    -16.52119304
  H     14.22170077     11.35697768    -13.67938624
  H     13.94680490      9.94365785    -18.48160190
  O     13.56259923      7.46954415    -16.41048845
  H     10.98056901     11.02338264    -16.17860245
  H     13.67408442      9.10253573    -17.18925138
  O     15.92865429     13.96821805    -15.91273970
  H     10.11254929     10.38468329    -15.09466650
  H     11.48433788     11.40382507    -19.81128481
  O     14.14691986      9.99001135    -20.31429028
  H     10.60971227      8.63380403    -16.35808156
  H     11.60986457     12.28513605    -21.07326252
  O     13.79466757      8.24037424    -13.82604950
  H     10.64948601      7.52791588    -17.43905087
  H     14.67791103      6.75867568    -17.54164944
  O     16.92062293     10.58311111    -20.35591617
  H     16.55009264     11.28482420    -17.10403520
  H     15.52606711      5.57069520    -18.05222368
  O     13.23948128      7.37967495    -20.05817362
  H     15.43869145     10.28306476    -16.78458799
  H     13.11830131     15.44952361    -16.28515669
  O     14.11390891     13.51511238    -19.10883422
  H     13.78588135      7.68982963    -15.49320424
  H     14.30083884     14.44852088    -16.30050868
  O     17.12382105      8.62903749    -18.49235964
  H     12.59806179      7.43344196    -16.46163649
  H     16.87542152     12.02746041    -19.08164041
  O     13.84342152      9.99307370    -17.52368014
  H     16.01350518     13.29811240    -15.22413365
  H     15.72141873     12.94311651    -18.64902811
  O     12.11072280     11.92138347    -20.34742529
  H     16.33386471     13.60288904    -16.71003146
  H     10.12087252      7.01186804    -19.88780945
  O     15.27019110      6.46659533    -18.25736703
  H     15.04766972     10.31164588    -20.44139301
  H     11.57383645      7.45119857    -19.58996442
  O     13.38457656     14.59076707    -16.60061914
  H     13.52633775     10.71338004    -20.47056257
  H     11.58551584     10.61601346    -13.27698019
  O     16.58644890     12.60384148    -18.36491597
  H     12.91862921      7.87729307    -13.62412028
  H     10.30400394     10.76191437    -12.43119702
  O     10.64772334      7.55365172    -19.30641882
  H     13.69891695      9.19751464    -13.76337088
  H     16.76517939     11.51825749    -13.48054070
  O     10.65660008     10.34049254    -13.21137876
  H     17.55629910     10.47969591    -21.05895799
  H     16.19862784     11.20567138    -14.88366060
  O     16.04930656     11.72762254    -14.07590727
  H     17.05139493      9.83446495    -19.74523687
  H     10.16285299     10.44992863    -17.99306363
  O     10.39013697     10.37376702    -18.92670894
  H     13.56714297      8.26202097    -20.28284475
  H     10.43622942      9.42759728    -19.11354023
          69
 Energy    -248.12260583633528     
  O     13.00209964     11.76670031    -15.77370400
  H     13.35870262     11.23020209    -16.49860004
  H     13.11569468      7.79824559    -20.50804259
  O     10.09435719      7.43406152    -14.66250892
  H     13.55310499     12.54776158    -15.65396884
  H     15.02868318     13.81852507    -17.17669659
  O     13.30098393      9.95827102    -13.70401293
  H      9.92965620      7.67816309    -15.58186717
  H     14.46801476     13.40552871    -18.55800907
  O     10.38652749     11.03932506    -16.04225401
  H     10.09074303      8.26300875    -14.16766727
  H     16.51963420      8.20665847    -18.11236760
  O     10.12002974      8.55052902    -17.33052360
  H     13.19240078     10.61135695    -14.41193405
  H     15.76007939      7.43775393    -19.22043349
  O     16.23916516      9.32913976    -16.55906285
  H     14.25281468      9.88534002    -13.56766644
  H     13.95874220     10.15160473    -18.56543493
  O     12.64947840      7.43117003    -17.36399019
  H     11.29259172     11.38278758    -15.98777674
  H     13.32935624      9.09539405    -17.59573258
  O     16.87047968     12.35156892    -14.90395656
  H     10.18039975     10.76279637    -15.14222618
  H     12.19519023     12.65591022    -19.32834663
  O     14.31765905     10.68066130    -20.29524187
  H     10.21266655      9.41168668    -16.89790517
  H     12.69518949     13.78640476    -20.25409604
  O     12.89054543      7.26991587    -14.67265865
  H      9.99739110      8.73189119    -18.27071226
  H     16.69360324      9.15071064    -13.37386091
  O     17.13120431     10.33186015    -20.19899516
  H     16.72383036     10.10179140    -16.88456278
  H     16.17872712      9.47531519    -14.79405883
  O     12.62425021      8.55311183    -20.85093915
  H     15.33292787      9.46455257    -16.87417441
  H     13.57949179      6.77448977    -18.68028574
  O     15.28211158     13.49212450    -18.04876419
  H     12.85182409      7.28070325    -16.42793071
  H     14.05550912      5.58879654    -19.55142943
  O     16.55743138      7.95141391    -19.04278570
  H     11.72961864      7.72492712    -17.40661914
  H     14.70314706     14.69856602    -14.74479343
  O     13.79522455      9.94081003    -17.63830365
  H     16.68389414     11.51543418    -14.46068819
  H     15.51208642     13.42386610    -15.09321324
  O     12.99458686     13.08006503    -19.68713228
  H     17.20770727     12.13324030    -15.78256256
  H     17.43033056     11.25901130    -18.53681881
  O     16.13160706      9.74859394    -13.86116262
  H     15.28113350     10.71739767    -20.33156673
  H     16.58660674     12.32235904    -17.81936840
  O     14.10970218      6.53707659    -19.46186769
  H     13.96874395     11.57688297    -20.20663723
  H      9.54352938      9.17650669    -20.74831809
  O     14.71451865     13.93712208    -15.31747392
  H     11.93122274      7.16549159    -14.57862082
  H     11.03037214      9.01296416    -20.35413325
  O     17.27566644     11.65358350    -17.67090590
  H     13.09266414      8.14091909    -14.31250269
  H     11.49285846      9.94846829    -13.36980610
  O     10.16171351      9.31791716    -20.03630060
  H     17.76015025     10.24593958    -20.91039827
  H     10.25376652     10.23748597    -12.49800513
  O     10.52228678      9.98069632    -13.37696104
  H     16.97020359      9.43391890    -19.85506842
  H     10.49353671     11.67801249    -17.87569868
  O     10.76390341     11.81761473    -18.79033669
  H     13.22814009      9.30711421    -20.79466057
  H     10.52869814     11.00984697    -19.26410709
          69
 Energy    -248.12248809582684     
  O     15.79297029     12.18258935    -11.15606512
  H     16.31040560     11.64070406    -10.54928465
  H     18.98099473      9.60100639    -12.42355254
  O     14.30559341      6.86448462    -14.54271092
  H     16.34861503     12.31909141    -11.93338915
  H     16.95318588      8.28786693    -13.18560759
  O     15.86840460      5.65298493    -10.85273984
  H     13.53101862      7.32759960    -14.19591981
  H     15.48849924      7.84680229    -13.56237027
  O     18.74966061      8.08610814    -13.43568216
  H     14.35935930      6.00833836    -14.09386495
  H     12.67991180     12.54729732    -11.24268595
  O     11.80499796      6.76012795     -9.86540376
  H     15.17366392      5.24367287    -10.31966180
  H     14.10040963     11.95582224    -11.40348765
  O     12.22788331      8.14090830    -13.27746971
  H     15.84167371      6.59554283    -10.63323178
  H     13.11928069      4.00509459    -12.54242350
  O     15.69514233      8.39380720    -10.36558687
  H     18.70054700      7.15090228    -13.20699484
  H     12.68230425      4.04158297    -11.07722391
  O     17.70032377      8.69494447    -15.89038186
  H     18.54336390      8.20981748    -14.37638781
  H     13.03889702     11.18105724    -13.37846775
  O     10.61075865      6.00980687    -12.37885075
  H     11.26010681      6.54015601    -10.63037328
  H     12.64333611      9.88074570    -14.08737114
  O     16.09066133      6.47231833    -16.57255160
  H     12.16978950      7.63647956    -10.05014217
  H     18.85197426      4.93612692    -11.97986661
  O     16.98858040      4.37248213    -14.79472993
  H     11.58049418      7.45273067    -13.07902556
  H     17.43791729      5.52833583    -11.83463800
  O     18.90599870     10.41555823    -11.90807024
  H     12.54488856      8.46299856    -12.42126961
  H     15.49650316      4.27389454    -13.78078592
  O     16.01443147      8.45149376    -13.02256121
  H     16.29773222      9.03149537     -9.96528546
  H     15.13683650      4.89242226    -12.39645237
  O     13.15399104     11.78026183    -11.55279039
  H     15.79115167      8.49331942    -11.32892594
  H     13.44592168      4.35769154     -8.62233476
  O     12.33815913      3.95182701    -11.97371120
  H     17.05808358      9.39741715    -15.73193364
  H     12.96604673      5.49665786     -9.55156765
  O     13.04510411     10.74439731    -14.23981831
  H     17.19835737      7.94847859    -16.24249451
  H     17.73360436     12.98973402    -14.05464661
  O     18.20568491      5.48050913    -12.42569882
  H      9.73516681      5.68549921    -12.57150192
  H     16.83133768     11.73438649    -14.03141041
  O     14.75898686      4.50585414    -13.19809849
  H     11.18800330      5.22914857    -12.30067651
  H     13.95342969      8.87279595    -10.52946067
  O     13.58226861      4.74452524     -9.48323977
  H     15.67243365      6.26391342    -17.40461703
  H     13.01326008     10.04090087    -10.94374983
  O     17.42397772     12.28504066    -13.49170854
  H     15.37622120      6.65735901    -15.93871180
  H     18.05750035     10.39285047    -10.40807482
  O     13.03998651      9.09383276    -10.75943400
  H     17.52959959      4.77034994    -14.10142780
  H     18.01671710     10.66922605     -8.88479118
  O     17.47297997     10.42299267     -9.62776292
  H     16.84310780      5.05444211    -15.46191860
  H     14.79787732     10.73252512    -14.78609206
  O     15.74891925     10.55661712    -14.77757416
  H     18.52324477     11.07678611    -12.49767600
  H     15.85653749      9.86716770    -14.10481528
          69
 Energy    -248.12240191227212     
  O     -5.89357907      3.73669340     -0.38091749
  H     -5.90170633      2.93612305     -0.91432447
  H     -6.22478031      0.10253303      2.78200404
  O     -3.74227227      2.26454495     -3.49316653
  H     -6.47530767      3.57377605      0.37405495
  H     -4.38875168     -0.00085207      4.01788871
  O     -7.29484004      3.18634784      2.03026808
  H     -4.11830997      2.47544137     -4.34435326
  H     -5.13294639     -1.04700398      4.88529744
  O     -3.85606467     -1.84085475      1.69109707
  H     -4.46942371      1.90858120     -2.96050065
  H      0.10387042      1.46779271      2.26234338
  O     -1.41444100     -0.78601530     -1.64576589
  H     -8.18454380      3.32955329      2.34183839
  H     -1.01733171      0.43128494      2.06048981
  O     -5.57037840      1.11704460     -1.73732622
  H     -7.13147417      2.22815766      2.07154731
  H     -2.58791966      3.49714396      0.67758553
  O     -5.54563782     -2.82311619     -0.33029848
  H     -4.49411953     -2.25761834      1.09780510
  H     -1.65774806      2.35266847      1.25648512
  O     -4.08642374     -1.47173369     -2.15947499
  H     -4.30701578     -1.59965700      2.51024444
  H      0.55661618     -1.38872412      1.14412688
  O     -1.40318412      1.95279651     -2.04032084
  H     -1.43028153      0.16714731     -1.81879841
  H      1.72876284     -0.39762838      1.21009113
  O     -1.29208439     -1.10782249      1.13436867
  H     -0.51442020     -1.08263429     -1.82867822
  H      2.54667141      2.06277494      1.56451076
  O      1.35891359     -1.30165171     -1.77724805
  H     -4.97937290      1.01337926     -0.97225632
  H      1.59596152      1.62193599      0.42797769
  O     -6.52003196      0.58744006      2.00257566
  H     -6.34952203      0.58899051     -1.51473606
  H     -2.40594949      1.35457296      3.58151292
  O     -5.03519296     -0.73287258      3.99127380
  H     -4.99936449     -2.41179919     -1.02553634
  H     -3.73825126      2.14644614      3.70957460
  O     -0.82193550      1.28866832      2.46970519
  H     -5.73323867     -3.71242704     -0.61894386
  H     -7.27783432     -0.21189404      0.41194729
  O     -2.16355597      2.65105629      0.48896508
  H     -3.14251665     -1.29760238     -2.03836959
  H     -6.87674891     -1.41049412     -0.44871592
  O      1.49850649     -1.29555955      0.94184429
  H     -4.50974687     -0.61592406     -2.27252716
  H     -3.45485874      1.39239682      0.61631369
  O      1.76699465      1.54459188      1.38395376
  H     -2.14441096      2.12943420     -2.63468081
  H     -3.87097133     -0.10194374      0.87463506
  O     -3.30107220      1.31151015      3.93422986
  H     -1.66283364      2.26661473     -1.16050096
  H     -4.48908080      4.54104677      0.29716653
  O     -7.36259501     -0.57689522     -0.47816457
  H     -1.36631959     -0.98009744      0.17797820
  H     -3.65442922      5.82624470      0.52038006
  O     -4.17374778      0.75237554      0.54650448
  H     -2.11007304     -1.53362986      1.42291036
  H     -5.58528483      3.53059899      2.92035897
  O     -3.73332984      4.91436106      0.78608057
  H      1.97623478     -1.89570958     -2.19468942
  H     -4.27156828      4.16645054      2.46706072
  O     -4.65643341      3.61955921      3.16206438
  H      1.48880087     -1.38868031     -0.81573449
  H      0.42121769      1.81132250     -1.64933336
  O      1.28072839      1.54184422     -1.29902118
  H     -5.71409345      0.75024266      1.48652822
  H      1.40789016      0.63190024     -1.59353613
          69
 Energy    -248.12239879487123     
  O     12.03583310     10.01362024    -15.58527417
  H     12.48309350     10.83346126    -15.34393327
  H     19.43838694      8.22081574    -13.11456688
  O     16.11294406      6.77205724    -12.94959939
  H     11.73208957      9.60750984    -14.76472151
  H     14.85629005     11.76065554    -16.41195208
  O     17.37390926     10.79040920    -11.70170537
  H     15.82810444      6.03447133    -13.50308501
  H     16.28434184     11.36987441    -16.86463779
  O     18.14414541     11.23701497    -16.45736671
  H     15.89318528      7.56661865    -13.46145556
  H     15.04904024      8.89493384    -15.26507106
  O     14.45523817      9.87835421     -8.85394200
  H     17.30904889     10.94732568    -10.75160000
  H     16.55672798      8.84315303    -14.95747647
  O     14.16227654      6.84572495    -10.99952656
  H     16.48685103     10.91561639    -12.06786566
  H     11.69601992      7.78410874    -13.36223750
  O     14.85432976     10.87045147    -12.83165537
  H     18.45515501     11.30908656    -15.53785184
  H     10.28905913      8.39569778    -13.17142119
  O     15.88043851      6.67323254    -16.84337950
  H     18.73188021     11.76921864    -16.98804263
  H     17.60106799      9.09537096     -8.90664757
  O     15.25417319      7.14322205     -8.43628126
  H     14.59830207      8.95655321     -8.60495628
  H     18.01557870      8.02051702     -9.93043131
  O     18.02690962      8.45385512    -15.97691749
  H     13.87138315      9.85806937     -9.62275585
  H     13.08722136      6.35151406    -12.48077420
  O     14.88273588      5.13681736    -14.84028122
  H     14.92130036      6.79995608    -11.59954357
  H     13.32605450      5.94098605    -13.94724513
  O     19.97816471      8.39860686    -13.90348602
  H     14.50544644      6.81934436    -10.09838252
  H     19.54185800     10.28816978    -13.89629407
  O     15.35477806     11.33416635    -17.11988824
  H     15.16324148     10.20112081    -13.46538946
  H     18.53238980     11.15647883    -13.12150123
  O     15.69068287      8.95649392    -14.54412991
  H     14.21966321     10.43117931    -12.24967906
  H     17.89315243      9.03715716    -11.79871569
  O     11.21365569      8.62151158    -13.23737369
  H     15.21722237      7.35858608    -17.01617588
  H     17.52627580      7.56111648    -12.17037305
  O     17.70850842      8.14285139     -9.02321378
  H     16.70225254      7.14672787    -16.66985541
  H     16.03171469     10.62260974     -8.89405118
  O     12.67510463      6.33346949    -13.35527331
  H     15.27758904      6.61248304     -7.64475006
  H     17.07465362     11.57769518     -8.26318083
  O     19.08621783     11.13855075    -13.91296949
  H     16.16924487      7.42464879     -8.61548272
  H     12.33704522      9.27520934    -11.88037434
  O     18.22751014      8.12727824    -11.81617280
  H     18.10933359      9.35471723    -16.31865013
  H     13.47274964      8.51513566    -11.17002729
  O     16.96116135     10.91248328     -8.93644085
  H     18.74905136      8.33026060    -15.34818107
  H     13.48642080     13.17567902    -14.68607663
  O     13.08657376      9.39672708    -11.28465875
  H     15.22744057      5.65133543    -15.59222211
  H     14.13265804     11.89301495    -14.11770509
  O     13.72982899     12.28106860    -14.91142944
  H     14.83877304      4.22956639    -15.12971249
  H     14.60677007      9.68501639    -17.14175920
  O     14.16509831      8.86455298    -16.87293600
  H     20.82348522      7.98159364    -13.75874354
  H     13.30080866      9.12959127    -16.52739901
          69
 Energy    -248.12234516096154     
  O     18.81546629     10.88605277    -10.57424077
  H     18.19868138     10.50820523     -9.93331867
  H     18.39277969     10.94123630    -13.72005739
  O     18.58559784      7.07468147     -9.30033938
  H     19.65300123     11.09612716    -10.14211181
  H     21.74921763     10.38074193     -9.41159968
  O     20.12303151      4.58261889    -11.20503729
  H     19.07957210      7.48335811    -10.02907333
  H     21.96038412     11.91182457     -9.40560700
  O     21.05551254      5.81923130    -13.67499518
  H     18.09977645      6.34418302     -9.70305000
  H     19.22082398      7.92008887    -13.07500166
  O     22.19873578      8.87277541     -8.69560138
  H     19.16480529      4.67160431    -11.13823082
  H     19.36512761      8.58498375    -14.45093952
  O     17.32434287      5.20015754    -10.88771360
  H     20.37970865      4.94820186    -12.05866451
  H     21.44932542      5.67365747     -8.52275036
  O     22.37714870      7.88228891    -12.23164064
  H     21.24459548      5.27704690    -14.43695271
  H     21.29305725      4.93827596     -9.88136078
  O     20.52252784      6.95861181     -7.41461897
  H     20.35559404      6.44039324    -13.93720964
  H     14.87036611      6.22967743    -12.80941939
  O     14.44982662      7.95403686     -9.14618283
  H     21.63185767      8.29148737     -8.17404659
  H     13.63357859      6.95390383    -12.24154409
  O     23.81217302      6.94304647    -10.04727008
  H     22.84895079      8.29651147     -9.11460459
  H     16.32071879      9.32042353    -11.07272978
  O     19.72126776      8.35066153    -11.40648915
  H     16.46837191      5.02774799    -10.47656447
  H     16.50418858      9.98822946    -12.47355112
  O     17.68405185     11.14560585    -13.10039865
  H     17.13974717      5.74306537    -11.66801685
  H     16.41691640      7.71055453    -12.66996973
  O     21.48333990     11.21202260     -9.84388967
  H     22.94648735      7.54665856    -11.52682253
  H     17.43187620      7.03808202    -13.60903056
  O     19.13864832      7.74813453    -14.02792929
  H     22.07644719      7.12502607    -12.74908841
  H     22.16937926      9.67428822    -12.60378137
  O     21.94073241      5.22531233     -9.21993218
  H     20.17104754      6.83508630     -6.53703633
  H     21.73129787     10.90109766    -11.78108838
  O     14.01483445      6.07790340    -12.38610629
  H     19.76232817      6.98169116     -8.02203870
  H     15.99368837      8.92401977     -9.09180315
  O     15.99541995      9.32638201    -11.98266650
  H     13.91591514      8.24645513     -9.89494589
  H     17.47207364      8.51054976     -9.19961791
  O     16.66575636      6.85566108    -13.05337306
  H     14.55597365      7.00259641     -9.26488642
  H     12.76340323      9.45812289    -11.97137960
  O     21.81393682     10.57155746    -12.68245960
  H     24.68907727      6.61617458     -9.86984748
  H     14.25186036      9.05309460    -11.86622063
  O     16.87689641      9.26765497     -9.29299401
  H     23.18575910      6.25247031     -9.75773385
  H     20.62599890     10.49300360    -13.98066172
  O     13.34213150      8.75413923    -11.69115176
  H     19.48988520      9.27191541    -11.23046245
  H     20.26065189     10.86466242    -15.43502868
  O     19.95814399     10.36923833    -14.67842447
  H     20.67529105      8.28844226    -11.54388235
  H     14.36802423      5.40797379    -10.80363121
  O     14.67631350      5.15338195     -9.91487446
  H     18.10956661     11.23738533    -12.23466294
  H     14.09871724      4.45698635     -9.61338989
          69
 Energy    -248.12219740095446     
  O     -1.54092460      3.72124965      3.25953760
  H     -1.21181086      4.30674708      3.93739576
  H     -4.74011478     -1.19193159      1.73282109
  O     -4.85007021     -1.54818730      5.21279986
  H     -1.53896191      2.82696217      3.63980106
  H     -5.78893067      4.37598417     -0.07236021
  O      1.48633582      2.12778904     -0.66029125
  H     -5.31400979     -1.82868461      5.99705074
  H     -4.94680869      3.56468733      0.93867497
  O     -4.31454076      3.44904424      2.55461090
  H     -3.90522899     -1.50098812      5.44565335
  H     -3.58420718      3.21095627     -0.70543382
  O     -0.03960336      0.99375299     -2.77487831
  H      2.24135976      2.70314391     -0.74873233
  H     -2.66547078      2.72406830     -1.87816511
  O     -0.46115258      3.47732960      0.61789615
  H      0.81548359      2.62326763     -0.15663038
  H     -2.73009591      1.04631096      3.98443616
  O     -2.58665033     -1.79724204     -1.50678228
  H     -3.39467624      3.66349439      2.74941256
  H     -1.32445694      0.62810347      3.43280332
  O     -1.43317760     -2.74989785      3.18459193
  H     -4.52338850      2.67216572      3.08873605
  H     -2.55091407      1.23371232     -0.19843614
  O     -4.56787362      0.92491518      3.80274486
  H      0.03353864      0.05157741     -2.58177064
  H     -2.50727816     -0.31873024     -0.43758526
  O     -4.19363441     -2.72550462      2.68288065
  H      0.49581801      1.44134198     -2.10789642
  H     -4.83665550      0.28315340     -2.25049279
  O     -4.12995354     -3.56511468      0.00010527
  H     -1.24901526      3.37867910      0.06436978
  H     -3.65469410      0.64355179     -3.18808561
  O     -4.90232483     -0.30825795      1.38232272
  H     -0.77635524      3.58743419      1.52102704
  H      1.51956803      0.37680238      0.02466159
  O     -5.22897499      3.60843972      0.00734389
  H     -3.10469901     -2.44634215     -1.01365560
  H      1.01382035     -1.00892324     -0.41995392
  O     -2.69467515      2.91039829     -0.93097468
  H     -3.18840424     -1.28870536     -2.07548145
  H      0.14561396     -0.43881392      1.59217561
  O     -1.77565935      1.12674261      4.13103347
  H     -1.12342317     -1.93160777      2.75856854
  H     -1.35105388     -0.07541210      1.45073113
  O     -2.51308720      0.37389943      0.23743774
  H     -0.78785615     -3.42437417      2.98941901
  H     -0.86405209     -1.82141944     -1.79230877
  O     -4.17868022     -0.09310991     -2.85415043
  H     -4.80244730      0.21599614      4.41121392
  H      0.36195024     -2.46888666     -2.47461203
  O      1.38868612     -0.53072049      0.33053425
  H     -4.75305695      0.57317068      2.91775266
  H     -2.29957890      2.45116220     -4.42221330
  O     -0.68514913     -0.38306362      2.08469525
  H     -4.56920387     -2.43802851      3.52383348
  H     -1.52810021      1.66138565     -3.33680824
  O      0.09316843     -1.72665577     -1.93925813
  H     -3.23814417     -2.78300755      2.82760412
  H     -1.90531571     -0.43913334      5.28270678
  O     -2.39428179      2.04754043     -3.56400231
  H     -4.21160026     -3.38930557      0.94849145
  H     -1.80821783     -1.91754166      4.87609403
  O     -2.16035215     -1.32941238      5.55647284
  H     -4.98868555     -3.87663284     -0.28023037
  H     -5.75353715      0.44594273     -0.12882623
  O     -5.90132877      0.96556546     -0.92988426
  H     -4.07338271     -0.02481831      0.96474459
  H     -5.77949476      1.88290085     -0.65913064
          69
 Energy    -248.12212829323215     
  O     -6.68993220     -2.96595676      6.94273470
  H     -6.41280704     -3.47017796      7.70301863
  H     -6.42169563     -0.24613215      4.10145358
  O     -8.81091195     -2.47738400      3.26791893
  H     -6.32150385     -2.07037659      7.04814138
  H     -6.14623805      0.38761619      7.21166587
  O     -6.35443935     -3.62790367      4.19214333
  H     -8.18609323     -1.76474820      3.48228438
  H     -5.19612950     -0.36334009      6.25859820
  O     -5.63857649      1.40162900      0.68694551
  H     -9.61138168     -2.02071010      2.97003694
  H     -2.95057969      5.15029682      2.18850334
  O     -7.14765392      2.03376235      7.10878828
  H     -6.44141057     -3.46837181      5.14117281
  H     -4.28365067      4.59642707      1.62582852
  O     -7.89923503      5.14936673      1.38679995
  H     -7.23095667     -3.49247106      3.81514976
  H    -10.39395273      1.28216634      4.84341950
  O     -9.25243805     -2.12312252      6.12101965
  H     -6.58684672      1.27211097      0.80768865
  H    -11.81225145      1.87912893      4.66893640
  O     -4.63063130     -0.22390759      4.55814044
  H     -5.26079186      0.51255346      0.59626959
  H     -9.99937218     -0.14814211      1.86129278
  O     -5.39354405      4.18263438      0.35324703
  H     -6.98186002      2.48252955      6.26176424
  H    -10.95683350      0.09181684      3.01963262
  O     -4.95359906     -1.22818738      0.69860086
  H     -7.09117290      2.70016143      7.78895207
  H     -4.90370821     -2.99144550      3.45382117
  O     -4.60150158      2.13779289      3.15285682
  H     -8.55871847      5.68317532      0.94985390
  H     -3.41625591     -3.20356957      3.08521139
  O     -7.33696736     -0.19425886      3.80256230
  H     -8.37733975      4.45632591      1.87037768
  H     -8.07501675     -2.33018602      1.36181830
  O     -5.70005414     -0.45534364      7.08133616
  H     -8.43557844     -2.48064721      6.49358161
  H     -7.98515141     -1.00044531      0.60931597
  O     -3.77457507      4.74548031      2.44451053
  H     -9.27401803     -2.42019255      5.20394411
  H     -8.55888661      1.01900941      6.44653489
  O    -11.01002838      1.67128864      4.19678463
  H     -4.43853713      0.58917413      4.07073805
  H     -9.23666666     -0.36251384      6.07807300
  O    -10.66021344     -0.59067985      2.40683175
  H     -4.31446620     -0.97753178      4.04308384
  H     -5.30539325      5.48507359      3.33569337
  O     -4.10883747     -2.54836501      3.10689319
  H     -5.45286725      3.21884270      0.29430917
  H     -6.76799634      5.67248094      2.89630034
  O     -7.67116129     -1.91200068      0.59414697
  H     -6.27510504      4.50048055      0.58348961
  H     -6.05271805      2.68569460      4.16284595
  O     -9.16265425      0.57535195      5.83986662
  H     -5.84340942     -1.58989543      0.57544595
  H     -6.60476820      4.09786111      4.45584228
  O     -6.19566129      5.65138687      3.67324998
  H     -4.58993029     -1.68817731      1.46249292
  H     -8.60531832      1.67048375      1.74201551
  O     -6.75280923      3.15656468      4.63483645
  H     -4.17199360      2.99074352      3.01736765
  H     -7.89379136      0.39837842      2.22301260
  O     -8.29430701      0.80901842      1.43697015
  H     -4.94183544      1.85692149      2.29043536
  H     -9.75880535      2.72505620      3.31214004
  O     -8.97377615      3.10221777      2.89525674
  H     -7.88387754      0.12072515      4.53313333
  H     -8.25534539      3.05663960      3.54314865
          69
 Energy    -248.12204425582388     
  O     17.60767312      7.97866781    -12.58655368
  H     18.02370014      8.18796820    -11.73925287
  H     13.72270990      9.00436195    -15.31522961
  O     12.14340711     11.87229357    -11.45622126
  H     16.94158737      8.66518569    -12.74579435
  H     11.94508184     10.59458662    -16.12998055
  O     19.01966949      8.04700980    -14.89255193
  H     12.81212108     11.22630655    -11.17129768
  H     12.78076412     11.05680508    -14.91215102
  O     10.96919568      9.69019075    -12.93007462
  H     11.92320629     12.39644581    -10.69070253
  H     14.82758044      7.33118190     -8.24987431
  O     15.96552089      6.02914830    -11.51023047
  H     19.50756553      7.24377926    -15.05288226
  H     15.12671856      7.48601475     -6.73974731
  O     18.54060964      8.73984726    -10.11036974
  H     18.53556504      7.92250357    -14.05674370
  H     13.39029801      9.08849395    -10.99871734
  O     19.91396675     10.94433649    -11.18885736
  H     11.36234586      9.82446548    -13.80086720
  H     14.54463853      9.86229143    -11.67271889
  O     16.15622671      9.90747091     -9.21688957
  H     11.17938876     10.48684715    -12.42709544
  H     18.00966972      7.00542155     -9.44091734
  O     12.29751856      7.69383551    -11.58766874
  H     16.50719170      6.67098161    -11.99157580
  H     16.85041519      6.63588179     -8.51246251
  O     16.97273612      9.52194174    -16.21761672
  H     16.45970050      5.88012293    -10.69040206
  H     16.54077610     12.45889388    -12.44181966
  O     13.98315912      6.26679284    -13.42859288
  H     17.72501949      9.16017696     -9.79725309
  H     16.75857656     12.45486313    -14.00322611
  O     14.52024146      8.46747853    -15.20068709
  H     19.13221901      9.45310044    -10.38099721
  H     15.23279621      9.40627905    -13.83521693
  O     12.40607618     10.27486078    -15.35860440
  H     20.73602280     11.38046679    -10.98093246
  H     15.81117284     10.71462702    -13.18908415
  O     15.46617794      7.69024014     -7.60677890
  H     19.89513960     10.82758840    -12.15532297
  H     19.66089662      9.73817655    -14.24798765
  O     13.94685872      9.87237059    -10.90904032
  H     15.35741124      9.90770710     -9.76351994
  H     19.18705365     11.19115690    -14.39438776
  O     17.44024716      6.26890341     -9.18204369
  H     15.98283308      9.25994853     -8.52140130
  H     17.47355455     11.13932293    -15.77412793
  O     16.09462773     12.48721645    -13.30277753
  H     12.77841872      7.21000220    -12.26976025
  H     18.00097883     12.52335620    -16.22137529
  O     15.63129549      9.77772612    -13.03790777
  H     11.71414860      8.31767108    -12.04510900
  H     18.20444207     11.75333465    -10.93844415
  O     19.77063825     10.62209017    -13.87792050
  H     17.66262629      8.93459384    -15.88225261
  H     16.88493646     11.46101375    -10.20496923
  O     17.83042465     11.98668332    -15.45167926
  H     16.12962591      9.10186203    -16.00859654
  H     12.92588882     12.35031198    -13.10781256
  O     17.28657965     12.04187766    -10.86118539
  H     14.67900874      6.10560322    -12.76979052
  H     14.30925376     12.53603604    -13.76783196
  O     13.37714175     12.36945224    -13.96125094
  H     13.68927850      5.40664602    -13.72242981
  H     14.60442340      6.41515885    -10.22685585
  O     13.92631196      6.64553553     -9.57856290
  H     14.28767568      7.68517440    -14.68554637
  H     13.17054061      6.94071734    -10.10073229
          69
 Energy    -248.12187258718882     
  O     13.68884367      6.98942796     -8.00191004
  H     13.52442079      7.01888073     -7.06334489
  H     12.52409478      6.09081107    -15.28870542
  O     13.92957407      5.04520452    -15.67126242
  H     12.84157239      6.76732425     -8.42924097
  H     14.81481984      8.12723182    -13.27048831
  O     17.09316376      6.26476479    -14.24941688
  H     14.63735166      5.40946451    -16.21613269
  H     16.08287070      8.61482226    -12.55158690
  O     10.05941500      6.34249681    -12.81291297
  H     14.37906050      4.51776155    -14.99967580
  H     12.92727560      8.08053476    -12.25477604
  O     17.90584928      4.45967783    -10.09633758
  H     16.62328589      7.06007246    -13.96618163
  H     12.78464678      7.13570009    -13.49591959
  O     11.26807266      4.29657612    -11.18923669
  H     16.96706800      6.20673518    -15.20544994
  H     11.29345965      5.61275667     -9.81674603
  O     16.64266969      8.12930744    -10.85748157
  H     10.55570785      6.42459256    -13.63769661
  H     10.84894231      7.07880353     -9.69852123
  O     13.43678146     10.55425637    -13.78770496
  H     10.41078042      5.56839856    -12.35561415
  H     14.44520794      4.47981755    -12.37320671
  O     17.35846911      2.51356345    -12.05548933
  H     17.06590509      4.90514911     -9.89255057
  H     13.67403179      5.79258158    -12.03784259
  O     15.25924506      8.69181640    -16.24187748
  H     18.39929796      4.42498441     -9.28014629
  H     15.88149658      7.17500746    -16.79030615
  O     12.47724514      9.29100915    -15.99662831
  H     11.09753918      3.35873796    -11.16131118
  H     16.59541589      6.24623893    -17.80409994
  O     11.86107123      6.72125687    -14.96471498
  H     12.21477029      4.40500360    -11.38518869
  H     16.18665838      3.35351148    -13.15656108
  O     15.65320256      8.59491616    -13.41704671
  H     16.19157651      7.35971793    -10.48469771
  H     16.15405633      4.76129903    -13.80272055
  O     13.33186603      7.34060101    -12.72516949
  H     17.49236947      7.78300198    -11.16687178
  H     18.55515627      5.81492770    -11.36384841
  O     11.37552825      6.39805262     -9.26233050
  H     14.32610409     10.22162144    -13.63327268
  H     18.31765516      6.39344461    -12.77260594
  O     13.86681919      4.89559670    -11.71925426
  H     12.95143478     10.37053073    -12.96938445
  H      9.02169499      8.53335031    -10.76949003
  O     16.21564825      6.26990440    -16.93040259
  H     18.12077867      1.95157851    -12.17389389
  H      9.92053890      7.59903782    -11.61502719
  O     15.61070914      3.98318232    -13.61094561
  H     17.58966482      3.13392545    -11.34806278
  H     14.95980072      6.12978176     -9.01594044
  O     18.69792572      6.59789686    -11.90810466
  H     15.49971787      8.79332200    -15.31202536
  H     14.93406145      5.39456682    -10.38173921
  O      9.92049368      8.23352754    -10.87492779
  H     14.31739080      8.89406170    -16.29410647
  H     14.11877616      8.56460178     -8.99315946
  O     15.52420123      5.76415382     -9.70833550
  H     11.98346033      9.88762553    -16.55326595
  H     15.17178137      9.08371797     -9.99429898
  O     14.30224735      9.27332554     -9.62187871
  H     12.74765976      9.80050220    -15.21147232
  H     11.45452199      9.24939555    -11.15731984
  O     12.30207679      9.59617742    -11.45899277
  H     11.99242141      7.55801602    -15.42820477
  H     12.94248909      9.56249953    -10.73074632
          69
 Energy    -248.12184664469939     
  O     12.77672729     14.27101865    -16.43907401
  H     13.63552735     14.62925934    -16.14790760
  H     17.37801796      8.99069435    -16.54644801
  O     17.63282738      8.12245212    -14.99708543
  H     12.29902050     14.99593461    -16.83300046
  H     14.25492784     10.33863229    -17.76700670
  O     14.18447033     10.86856297    -11.26658564
  H     18.02963549      8.67859292    -14.31760604
  H     13.94667980      9.08826078    -18.62644421
  O     15.35333652      7.28671278    -13.52226150
  H     16.90427023      7.65768948    -14.56693200
  H     17.56761187     15.00483894    -13.07795544
  O     13.22738732      9.33634659     -9.11402062
  H     13.51651974     10.64871596    -11.93452737
  H     17.36366911     13.66020915    -13.81275783
  O     15.03757674      7.41833232     -9.78660092
  H     13.86507201     10.49971979    -10.43375575
  H     12.14041445     13.31232320    -14.89184148
  O     15.25930537     11.50614911    -14.77664941
  H     15.70058350      7.91586729    -12.87105721
  H     12.75779688     13.17155358    -13.49550878
  O     12.26099777     10.25932198    -13.19552498
  H     14.73086417      6.72812896    -13.04120944
  H     19.50640616     10.07080186    -12.73533529
  O     16.30396856      9.10260894    -11.65618499
  H     13.03975844      9.38182284     -8.18081551
  H     18.41120123     10.80342821    -13.54627620
  O     17.89388492     12.12408773    -14.62428760
  H     13.88294060      8.62636647     -9.23773576
  H     12.99620145      5.25522834    -11.77802941
  O     13.93182997      9.08549612    -15.05291258
  H     14.58329139      6.81592069    -10.38871704
  H     12.83836803      6.79201190    -11.69733165
  O     17.21784334      9.54698957    -17.32389128
  H     15.64042222      7.93436978    -10.33995318
  H     14.47125595     12.53238327    -12.01344125
  O     14.37954802      9.37500758    -17.82658906
  H     14.83909295     10.63607237    -14.77189724
  H     15.27542505     13.68233854    -12.72689159
  O     16.89865391     14.40290986    -13.39464672
  H     14.82641800     12.06258365    -14.11703160
  H     15.78741515     13.07478137    -17.82974112
  O     12.02324473     12.86533854    -14.04644925
  H     12.02442806     11.14027549    -13.52072238
  H     17.31748228     13.09737979    -17.67956675
  O     18.59054557     10.02215638    -12.99820945
  H     12.72604548      9.80443838    -13.91145826
  H     14.65100301     11.91557340    -16.44190434
  O     13.48576772      6.07250835    -11.81017855
  H     15.64588010      9.80650634    -11.56731282
  H     13.59613363     12.75501706    -17.18189950
  O     14.42509531     13.23013683    -12.68276028
  H     17.11140939      9.48304080    -12.02092814
  H     12.12724518      8.59356247    -10.54722554
  O     16.54718334     13.66877899    -17.77600273
  H     18.28347569     12.09154894    -15.50722488
  H     11.81244928      8.88661665    -12.02825416
  O     14.24084658     12.04861598    -17.31091630
  H     16.96610609     11.84911375    -14.72178126
  H     15.81342323     14.69919718    -16.46763358
  O     11.83007029      8.18114746    -11.36689613
  H     14.03899033      9.00323254    -16.00751822
  H     15.77741726     14.95922280    -14.94543425
  O     15.27847749     15.08594178    -15.75692995
  H     14.42313260      8.37480962    -14.61776489
  H     18.15216933     10.97392663    -17.34522108
  O     18.66257776     11.80293459    -17.27329483
  H     16.29641571      9.41924129    -17.56861741
  H     19.43636621     11.69797364    -17.81925753
          69
 Energy    -248.12181437924249     
  O     12.02619917     11.16218202    -14.82493495
  H     11.56814604     10.71363527    -14.10443576
  H     17.94013598      7.93693291    -14.76690745
  O     15.20573289      6.09104595    -13.20599885
  H     12.27934573     10.47434622    -15.45667631
  H     16.91081781     11.50998125    -15.57889372
  O     17.56158059      9.99514308    -12.17293832
  H     16.12401325      5.95029572    -12.94495945
  H     15.46139020     12.06103734    -15.49826251
  O     18.40550478     11.11315913    -14.59365335
  H     15.11982863      7.00043011    -13.53166921
  H     15.62030393      8.47707290    -14.90433114
  O     12.26113087      6.42853836    -16.13282263
  H     16.64740384     10.30400047    -12.25392953
  H     14.11227715      8.78081414    -14.88819924
  O     14.83797091      8.99020575     -8.82077868
  H     17.66624514      9.72835752    -11.25268629
  H     11.59014449      9.67623391    -12.00191072
  O     13.27381780      6.63818389    -11.35395134
  H     18.18793774     10.89402716    -13.67592134
  H     10.07374106      9.91428820    -12.17695961
  O     14.93109858     10.69401692    -12.55839260
  H     18.97874037     10.40208957    -14.88128816
  H     17.37061581      7.29729816     -9.75231844
  O     16.76355945      7.83420123    -16.18865590
  H     12.00428963      6.60953388    -15.21009236
  H     17.44619746      6.10843042    -10.73668108
  O     14.59484828      6.13977054     -8.91704495
  H     11.56836794      5.89146197    -16.50815092
  H     12.05979416      6.80191801    -12.80142383
  O     15.03921063      5.67830037    -15.99749350
  H     14.16294040      9.28660163     -9.44310988
  H     11.23182875      7.96173794    -13.37525411
  O     18.43170917      7.93467140    -13.93386755
  H     14.68452334      8.04373424     -8.70535699
  H     18.45305521      4.98278448    -12.79013504
  O     16.08923031     11.61650082    -16.07837127
  H     13.96200054      6.35506376    -11.97559529
  H     18.19679005      6.49273116    -13.01559870
  O     14.87332139      8.63753005    -14.31189508
  H     13.58648408      6.38270041    -10.47789535
  H     17.95697729      9.55926140     -8.74308721
  O     10.87353580      9.71508655    -12.65765720
  H     14.70192585     11.49575052    -13.04341393
  H     16.53581889      9.19665030     -9.23154377
  O     17.11885806      6.37263427     -9.86851870
  H     14.91679081      9.96570654    -13.20246303
  H     15.64637132     10.43913415    -17.21904736
  O     11.57617258      7.08643403    -13.58724106
  H     16.42335122      8.43102959    -16.86634683
  H     15.54058103     10.00334330    -18.70285999
  O     17.91445452      5.71496991    -12.50193960
  H     16.23670392      7.02001860    -16.23568551
  H     13.72479897      9.89602218    -11.50281985
  O     17.47872785      9.17751995     -9.47492740
  H     14.55772668      5.48238768     -8.22790908
  H     13.17315446      8.46672609    -11.15873990
  O     15.39819869      9.70210331    -17.81002383
  H     15.50828531      6.13970641     -9.25812982
  H     13.34135519     12.22949028    -14.51289366
  O     13.04736361      9.41510548    -11.00334178
  H     14.10811991      5.86692864    -16.16510961
  H     13.89466257     13.65304065    -14.24872851
  O     14.14686129     12.73533848    -14.29779859
  H     15.09920814      5.58522972    -15.03710876
  H     13.77156123      9.24301541    -16.99175638
  O     13.02886945      9.09908969    -16.39068966
  H     18.09304430      8.65332453    -13.38212648
  H     12.73449400      8.18304972    -16.47591622
          69
 Energy    -248.12172640615159     
  O     15.61448876     11.54965920    -10.64565835
  H     16.01180681     11.43867143    -11.51982813
  H     18.94328402      8.16873569    -11.26733991
  O     14.92055437      7.51407995    -15.12128427
  H     16.06127649     10.91978877    -10.06864845
  H     17.04519104      7.68752491    -12.58885582
  O     14.97734607      5.22882721    -11.16285244
  H     14.99819041      6.59361059    -14.83961193
  H     15.89407613      7.94440336    -13.62829472
  O     18.43760971      6.58254069    -12.04936510
  H     14.08048329      7.86232303    -14.78928885
  H     13.91034035     11.63157917    -10.97146540
  O     10.93005104      6.57072286    -11.58009715
  H     14.94429089      6.13377792    -10.82124357
  H     12.56467367     12.39142944    -10.88516687
  O     12.62186026      8.60654667    -14.07834467
  H     14.08655730      4.86255042    -11.09968019
  H     13.65922474      4.52637679    -14.15501899
  O     15.00100287      7.90971191    -10.42412889
  H     18.52589066      6.16741154    -12.91573082
  H     12.57591266      4.23449581    -13.10063889
  O     18.66099341      8.20049555    -15.26234143
  H     18.21023057      5.88067118    -11.42235146
  H     13.43750210     11.47428887    -13.15892538
  O     10.90381378      6.43468990    -14.45280781
  H     11.38428097      7.40046469    -11.37960280
  H     13.35883487     10.37196858    -14.22030316
  O     18.20295567      5.61117601    -14.66591931
  H     10.75394417      6.58143023    -12.52895664
  H     17.59745308      3.90728248     -9.73143766
  O     16.46764461      9.27838208    -16.57344104
  H     12.61873215      8.67190172    -13.11275568
  H     16.59789416      4.69000983    -10.60364856
  O     18.98376583      9.08465869    -10.95770230
  H     11.95227007      7.95103625    -14.31110109
  H     16.41373003      5.12433573    -14.19491485
  O     16.26889443      8.22787376    -12.78511877
  H     15.38470066      8.06113822    -11.30457570
  H     15.40522727      5.13769488    -13.00565547
  O     12.98222003     11.62512982    -11.26877284
  H     15.58468522      8.37475065     -9.81417910
  H     11.80786218      5.11288906    -11.25251334
  O     12.70549211      4.43808757    -14.03552379
  H     17.96873964      8.59964949    -15.80978992
  H     11.84138398      3.67834581    -10.67186999
  O     13.80264980     11.20358677    -14.01093620
  H     18.93804656      8.88826308    -14.64841146
  H     19.65475543     11.20680765    -13.74634155
  O     17.54206910      4.57703953    -10.40736063
  H     11.54689277      5.70537165    -14.39352025
  H     18.20332742     10.75225907    -13.47380269
  O     15.47868879      5.05099491    -13.96638082
  H     10.25176339      6.17613913    -15.09821510
  H     12.57078241      9.81496708    -11.21641395
  O     12.34298854      4.30067256    -11.19108742
  H     18.37017397      6.53177135    -14.94222595
  H     13.35983232      8.51988546    -10.89242314
  O     19.12994829     10.45660406    -13.47763226
  H     18.76612678      5.05988826    -15.20278339
  H     17.35219280      9.59058145     -8.30756642
  O     12.54152468      8.85250812    -11.28756553
  H     15.86355231      8.63584943    -16.16734783
  H     17.71491630      9.37062011     -9.79278734
  O     16.97163820      9.50595164     -9.17762859
  H     16.09037159     10.13633414    -16.38738163
  H     15.57083897     11.12888182    -13.63719072
  O     16.44300898     10.91635002    -13.27655619
  H     19.13542285      9.61548797    -11.74818123
  H     16.41628862      9.96760035    -13.07227851
          69
 Energy    -248.12164701771871     
  O     12.88104691      9.88514497    -15.99452012
  H     12.21858008      9.36713117    -15.51756795
  H     16.94151213      5.21817716    -14.53978207
  O     16.51034543      6.07843484    -13.05297026
  H     13.48545707     10.19404830    -15.31226498
  H     19.70278887      7.81290107    -14.77616350
  O     17.14956516     10.49242612    -12.12190305
  H     15.66518781      6.15229112    -12.58771735
  H     21.11061133      7.95921155    -14.14733018
  O     17.83497683     11.39083706    -16.78492858
  H     17.15273320      6.63891004    -12.59495488
  H     16.11058849     11.91081935    -16.36016848
  O     14.42974755      5.54562002    -16.23068490
  H     16.33795797     10.57903462    -12.63866900
  H     14.60026539     11.89916402    -16.68136276
  O     13.89524910      9.48624067     -9.62423317
  H     16.91711127     10.66301155    -11.20023165
  H     17.10815761      8.17852863    -15.19878894
  O     14.11204049      6.55823535    -11.82371040
  H     18.22033598     11.15850450    -15.92114345
  H     16.16745186      7.50982319    -14.18366265
  O     14.95336433     10.47768735    -13.86898185
  H     18.44206186     12.00008120    -17.19856223
  H     11.69151339      7.45019258    -14.30299830
  O     17.41479942      8.79630818    -17.92562200
  H     15.34319866      5.27825456    -16.08612932
  H     10.31615678      8.16174240    -14.27145517
  O     14.73207993      6.78391958     -9.10405664
  H     14.46936797      6.36986463    -16.73347996
  H     17.69163303      7.79813148    -10.16335812
  O     18.62118704      7.27710590    -16.02698244
  H     14.03194624      8.57083805     -9.35092856
  H     17.02689416      8.85996518     -9.26822341
  O     17.16727108      4.92411348    -15.43986437
  H     13.49306991      9.44612880    -10.50231596
  H     13.21784602      5.76952238    -14.90374010
  O     20.19213791      8.18017698    -14.01822943
  H     14.25673467      6.50310100    -10.87080367
  H     13.09791694      5.96439074    -13.36602022
  O     15.23688976     12.12924756    -16.00411138
  H     13.78528571      7.45232471    -11.99814561
  H     18.33876131     10.76026623    -13.56401639
  O     16.24605034      8.26749583    -14.77615466
  H     15.42165724      9.69907099    -14.21468299
  H     19.42822467      9.92015843    -14.25539895
  O     11.25551630      8.32255326    -14.27554443
  H     15.07486047     11.19595428    -14.50728221
  H     19.03237378      7.93941176    -12.55008012
  O     17.19310378      7.91194733     -9.34416328
  H     16.46602548      8.61488720    -17.88288778
  H     17.84801725      8.79169169    -12.04097076
  O     12.60336290      6.00210286    -14.19223611
  H     17.53190949      9.70781352    -17.63028811
  H     15.42045226     10.31052533     -9.49731929
  O     18.86255142     10.69207061    -14.37234904
  H     14.67820768      6.23825391     -8.32436962
  H     16.33778962     11.34039813     -8.79280622
  O     18.27145411      7.92428358    -11.95736801
  H     15.64786818      7.11184840     -9.15751565
  H     13.71647626      9.68696039    -12.79866724
  O     16.33156327     10.65368096     -9.45392473
  H     18.30071736      7.73372410    -16.82055795
  H     12.36163365      8.93672090    -12.88990687
  O     13.09595021      9.14043450    -12.29694826
  H     18.17651257      6.42214458    -15.96413184
  H     14.01146788      8.76179209    -16.96141892
  O     14.77124092      8.19703596    -17.15386005
  H     17.39538843      3.99959918    -15.37926978
  H     15.26397462      8.15832752    -16.31992891
          69
 Energy    -248.12164284898967     
  O     13.95642097     11.05131393    -12.12075658
  H     14.50253895     11.08255636    -12.91594552
  H     14.68729188      7.30517868    -16.24197479
  O     14.61434208      6.62097595    -14.59989424
  H     14.57446519     11.21121189    -11.39627180
  H     18.66338054      5.27985145    -13.09901079
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  H     14.90514112      5.77652968    -14.23381298
  H     18.61297710      5.77660282    -14.55179685
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  H     15.13308832      7.28413779    -14.11723000
  H     18.34622249     10.21702224    -12.43765152
  O     13.94695827     10.43054518    -16.18886028
  H     16.01881494      6.65201031    -10.41037118
  H     17.29661272     11.14809697    -13.08691950
  O     12.12465749      6.19671259     -9.91563970
  H     15.61006986      5.19686359    -10.07210056
  H     17.04066448      8.28277846    -13.03245747
  O     12.18114031      7.37432904    -13.46848435
  H     18.96459482      7.64278667    -12.18776013
  H     15.78248728      8.35745677    -12.13938473
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  H     19.12364150      8.10952211    -13.65962458
  H     13.65884910      3.63639442    -11.11222242
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  H     13.16479619     10.33428326    -15.62455375
  H     14.21603054      3.72310945    -12.54351471
  O     11.17659540      5.00746706    -12.34649309
  H     14.09560628      9.57470096    -16.60530100
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  H     12.37689967     10.54745806    -13.47121695
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  H     11.65876230      5.81831272    -10.67243876
  H     17.99165308      5.84666942    -10.96962438
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  H     11.72713907      6.57524679    -13.17345554
  H     15.87890607      5.01236457    -12.27907553
  O     16.07530336      8.31498114    -13.05748278
  H     15.75914363      9.24472040    -10.14173651
  H     16.63773114      4.60230349    -13.55505110
  O     13.41922539      3.51180529    -12.03868711
  H     14.50861912      8.38493453    -10.48188417
  H     13.39445935      5.07350253     -9.49599025
  O     11.99996478     10.11086921    -14.24075969
  H     16.93382231      9.76333095    -15.75171195
  H     13.92690996      3.97192204     -8.54862116
  O     18.89526342      5.99155430    -11.29693793
  H     16.45975856      8.61238185    -16.65493925
  H     13.13146133      9.55035144    -11.39473873
  O     15.76629245      4.57504398    -13.13377227
  H     10.42018944      4.45348457    -12.51912670
  H     12.62674140      8.19009480    -11.92174784
  O     14.09152301      4.40182741     -9.38355370
  H     11.95441579      4.42201521    -12.30982478
  H     16.80719979     11.10788546    -10.93241136
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  H     16.37645682     11.71411160     -9.57470509
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  O     15.86374074     10.76753867    -14.31120380
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  H     15.86860774      9.88488690    -13.90729698
          69
 Energy    -248.12152776927712     
  O     -1.99570888      9.12870087     -9.38458030
  H     -1.83085056      8.89339880     -8.46395178
  H     -3.66512682      4.33288493    -12.43086088
  O     -6.72707225      7.32219611    -12.35402275
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  H     -8.24155185     10.78066739     -9.14944207
  O     -4.77136303      9.48952840     -9.45015155
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  O     -4.18326350     10.48855120     -6.89119551
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  H     -1.67913020      8.15626477     -5.93755495
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  H     -2.88849604      7.77120001     -6.82492221
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  H     -3.69903906     11.50356723    -11.31728920
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  H     -5.83644483     10.03646099     -6.27465913
  H     -8.87678445     11.97878355     -6.97049210
  O     -2.23061069      8.46989142     -6.64854653
  H     -5.51609461      5.57102765    -14.43501913
  H     -7.68982180     10.98552417     -6.94742164
  O     -6.95388271      7.13249586     -7.07502495
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  H     -6.28788725     13.02871159     -9.65594750
  O     -3.50830775     13.02035500     -7.84790789
  H     -6.94202884      7.59579269    -10.68017851
  H     -6.75848601     12.69581487     -8.23073671
  O     -4.45881510     11.06857015    -11.73367361
  H     -6.09050677      8.39183962     -9.62565873
  H     -3.21451069      6.72309466    -10.74852021
  O     -8.14962275     11.64989873     -7.49173764
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  O     -6.05403830     13.13232776     -8.72590813
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  O     -4.28979686      8.59166056    -12.97124194
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  H     -3.65336133      8.14626065    -12.39635916
          69
 Energy    -248.12150489099565     
  O     -1.25407905     -0.99585827      2.36230482
  H     -1.94548553     -0.85884954      3.03127466
  H      0.29614749      2.35164606     -1.03546146
  O      0.52962387     -1.22509891      6.29181586
  H     -1.55566015     -0.51890995      1.58063363
  H      0.16395980      5.42947577      3.27362521
  O     -6.93030842      0.76793808      5.00918764
  H     -0.14945721     -1.90410410      6.12396059
  H     -0.74335570      4.41247252      2.54260793
  O     -5.32236579     -1.33024773      2.43135210
  H      1.21645195     -1.64379155      6.80348509
  H     -0.39842820      3.29603152      4.59152821
  O     -4.14351823     -1.61959623     -0.03329483
  H     -6.87595299      1.01540530      4.07894357
  H     -0.19210520      1.76486806      4.69973831
  O     -2.43145881      0.53664860      0.33226379
  H     -6.85000327     -0.19226975      5.03388061
  H     -1.35376724      3.52396900      0.58837257
  O     -1.24044871     -3.68457764      3.06974896
  H     -4.57439970     -1.02223052      2.96785085
  H     -2.67613189      3.60459657      1.37449937
  O     -1.39667178     -3.03344653      5.79233542
  H     -4.97189191     -1.55647665      1.55909564
  H     -0.60457459      0.09341568      7.03787126
  O     -3.97308277     -1.98125853      6.31130772
  H     -3.71224510     -2.30772490     -0.53419795
  H     -1.03029855      1.52882410      6.68803419
  O     -6.42819224     -2.09140658      4.84530656
  H     -3.52805197     -0.86913011     -0.02280905
  H      0.95907456      3.06155892      2.42846369
  O     -3.98849897      2.31657970      1.81607774
  H     -1.68719726      1.05331622     -0.00105968
  H      1.18917907      1.55071630      2.63880736
  O     -0.25784991      2.18011041     -0.27890026
  H     -2.98753017      1.14338294      0.84374026
  H     -3.42176733     -0.97741112      4.88917668
  O     -0.04897281      4.50180182      3.21961006
  H     -1.19196047     -2.78530836      2.70921434
  H     -3.31294915      0.45483691      4.25941080
  O     -0.62467773      2.52180183      5.12173221
  H     -0.58397434     -4.19150916      2.59748550
  H     -7.29393663      1.09036643      1.52936642
  O     -1.84306731      4.06748470      1.21783636
  H     -2.30902217     -2.81725160      6.02043914
  H     -6.17935251      0.23213458      2.16954002
  O     -1.21643606      0.79645255      7.28834017
  H     -1.39806955     -3.35764820      4.88123931
  H     -2.79229512      0.38026329      7.86415224
  O      1.24138433      2.25489232      1.97949863
  H     -3.98168106     -1.30740226      7.00578195
  H     -3.71306052      0.15996121      9.08792050
  O     -3.28934937     -0.49191081      4.06628239
  H     -4.86826183     -2.07261627      5.96322699
  H     -5.75263120      1.66307315      6.07178523
  O     -6.55744431      1.12665766      2.13546676
  H     -7.08359905     -2.78339581      4.79774182
  H     -4.65154200      1.44339728      7.14136987
  O     -3.68897740      0.11032449      8.13596314
  H     -6.10365610     -1.95208994      3.93985311
  H      0.01877435     -0.17081586      3.34057061
  O     -5.00360173      2.08752114      6.51692571
  H     -4.91661536      2.05916843      1.81674799
  H      0.71867793     -0.23300142      4.72119170
  O      0.61887105      0.30985580      3.92918474
  H     -3.72456661      2.35099836      2.74998834
  H     -3.88345615      2.30843822      5.19700268
  O     -3.28692566      2.23321321      4.43643062
  H      0.32918372      2.15154698      0.49823769
  H     -2.38202876      2.40312924      4.72535510
          69
 Energy    -248.12127095479252     
  O     18.03326828      9.32915502    -14.88404006
  H     17.47983540      9.35980663    -14.08592061
  H     16.48574618      2.48089277    -12.58998026
  O     16.88790999      3.43536382    -15.52643953
  H     18.35416493     10.21651250    -15.02469607
  H     13.83752890      5.84727121    -11.19015210
  O     14.98783855      5.87478367     -9.79260581
  H     17.55169862      4.05838839    -15.85010991
  H     12.79393988      6.62190352    -12.07868810
  O     15.42683800      3.06217454     -9.59128679
  H     17.17958079      3.12950688    -14.66076510
  H     14.70506104      6.41324567    -13.03255112
  O     14.32699015      4.00755848    -16.15181812
  H     15.93903530      5.84963354     -9.97060789
  H     15.08743563      6.80091271    -14.48929942
  O     14.33490600      6.80010742    -16.15945411
  H     14.82341296      6.72196114     -9.35907858
  H     19.18412055      7.80459559    -14.62986113
  O     18.70540713      5.35193547    -16.58318573
  H     15.08168208      2.67203601    -10.40493648
  H     19.05597948      6.45856843    -13.88788586
  O     14.74835902      8.51522472     -8.87260140
  H     15.11386741      3.97510486     -9.56389307
  H     13.05813827      7.88511771    -15.58428540
  O     18.11468229      2.97782875     -9.96793725
  H     14.06231612      3.42039413    -16.85539190
  H     12.33497492      9.22153377    -15.80674632
  O     16.85416246      7.54223899    -16.81652101
  H     15.25026790      3.78450038    -15.93361738
  H     12.08778017      8.31563020    -13.48954445
  O     14.80220056      1.87847204    -12.10427699
  H     14.27828237      5.84009871    -16.24737616
  H     11.00737289      8.36667895    -12.38456001
  O     17.37874864      2.82145565    -12.74051467
  H     15.19165181      7.08806440    -16.51367722
  H     13.18098992      4.33233841    -13.04670898
  O     13.34198977      5.82924208    -12.02164592
  H     19.39937265      5.15479573    -17.20700018
  H     13.54094547      3.73578970    -14.43937548
  O     15.41272600      6.77422084    -13.58186417
  H     19.10889754      5.88579367    -15.87551912
  H     13.28641832      9.23520044    -11.69721232
  O     19.57500098      6.92549194    -14.56026775
  H     14.45584334      9.03235923     -8.12737928
  H     14.77757646      9.64915333    -11.79245683
  O     12.40952335      8.49370556    -15.19448120
  H     14.42895737      8.96842457     -9.67395247
  H     16.95504107      5.97770057    -13.23774449
  O     11.93674353      8.21151787    -12.53366582
  H     18.55880282      2.41655299     -9.33832843
  H     17.65181067      4.61997107    -12.94119062
  O     13.24498248      3.50858973    -13.55046020
  H     17.16485538      2.95062260     -9.74967364
  H     16.84435539      9.00853152    -11.80542645
  O     14.00544415      9.65745083    -11.21241662
  H     17.24367557      8.19103704    -16.21736929
  H     16.03565055      8.33416433    -12.96078052
  O     17.78502709      5.57644968    -12.94135060
  H     17.46163922      6.79276054    -16.83355000
  H     17.66448039      7.66689272    -10.05784777
  O     16.42346136      9.17133651    -12.66384683
  H     14.47762569      0.98461461    -12.17293003
  H     16.56814526      8.63115834     -9.57909910
  O     17.35544650      8.57932087    -10.13383185
  H     14.20284663      2.43613188    -12.63179805
  H     18.03940143      4.90614847     -9.96822802
  O     17.77427139      5.79677721    -10.22161992
  H     17.81043272      2.79208123    -11.87740229
  H     17.84232188      5.81766965    -11.18905897
          69
 Energy    -248.12109417540270     
  O     14.16626648     10.04713561    -15.73814446
  H     13.53020477      9.32999672    -15.65566969
  H     18.71550776      8.35428662    -17.18800456
  O     15.80946575      4.10040744    -16.66701609
  H     14.60935349      9.94381844    -16.59398943
  H     15.74410011      6.88548201    -15.92235209
  O     17.49417742      7.02484926    -11.45563351
  H     15.67679083      3.91687779    -15.73075504
  H     16.06991589      7.62647048    -14.58617586
  O     19.68151243      6.65075837    -17.36137834
  H     15.13658701      4.76933989    -16.86254933
  H     11.43755907      7.81392833    -15.38936199
  O     17.27266142      5.58092170    -18.53459835
  H     18.25840571      7.52271353    -11.77134606
  H     12.66633999      7.25741195    -14.63375319
  O     13.42634870      5.14250639    -10.85338564
  H     17.51460007      6.17478031    -11.92329730
  H     16.46672024      4.13642478    -10.02992290
  O     15.08338310      4.14464940    -13.88443475
  H     20.55887978      6.35314084    -17.58830551
  H     17.19045777      3.67254128    -11.30566167
  O     15.47152476      8.22749158    -12.94706025
  H     19.53974630      6.41976540    -16.42831392
  H     13.52953879      6.87163612    -16.58016155
  O     14.35250906      2.54908219    -11.66335384
  H     18.11364139      5.88908716    -18.18230766
  H     14.45004482      6.75102499    -17.84447129
  O     18.37881462     10.16807978    -14.33452915
  H     16.90216363      4.96117803    -17.88849900
  H     19.16167401      9.01115812    -13.34839726
  O     18.94498563      6.25200164    -14.73105270
  H     14.18690693      5.44504492    -10.34266323
  H     20.43513232      8.61054370    -12.56431886
  O     18.05836666      8.96651697    -16.84052397
  H     13.59958542      4.21429685    -11.05506815
  H     18.19346939      4.97507010    -13.55683167
  O     16.45946663      7.23543906    -15.37761971
  H     14.51586733      4.92218531    -13.80621517
  H     16.74291287      4.48463354    -13.28228126
  O     12.38964947      7.76486408    -15.41658201
  H     14.76139919      3.50282203    -13.23864668
  H     16.46511676      6.40184920    -10.09978806
  O     16.69866784      3.34912685    -10.53780525
  H     16.17251372      7.91794092    -12.35948413
  H     15.97220107      6.31291821     -8.63976065
  O     14.26939415      6.39006968    -16.96676887
  H     15.55439677      9.18223324    -13.06325719
  H     16.05637913      6.63869317    -19.17859986
  O     19.57752955      8.29405954    -12.83463864
  H     14.12871663      1.63701494    -11.50085902
  H     15.09254501      6.98789703    -20.33726205
  O     17.60428498      4.64611588    -12.86787463
  H     15.20133862      2.71699333    -11.21633289
  H     13.28590145      6.00581000    -12.42438494
  O     15.88265150      5.90890376     -9.49976567
  H     18.35422356      9.88497717    -15.25899782
  H     14.12229433      7.10861920    -13.12316207
  O     15.30670837      7.20743574    -19.43492789
  H     17.50058409     10.51184936    -14.13206819
  H     15.38829417     11.73831410    -13.40918299
  O     13.45023893      6.42757034    -13.28001208
  H     18.04049359      6.51812561    -14.96926523
  H     15.13349429     10.64433971    -14.47524117
  O     15.69816362     10.89180671    -13.71794704
  H     19.27230956      6.91572542    -14.11087868
  H     15.47999197      8.91766418    -18.63606261
  O     15.61872263      9.68205812    -18.06402389
  H     17.41750127      8.41080218    -16.36702271
  H     16.53433894      9.60925898    -17.76472642
          69
 Energy    -248.12107923246231     
  O     16.68117118     10.71110180    -10.50934798
  H     17.39669688     10.12374791    -10.80235882
  H     13.74639305      9.73296869     -6.86926308
  O     15.18383169      5.03199082     -7.08793293
  H     15.90497135     10.48659476    -11.04354345
  H     16.43726029      6.23458222    -14.12388432
  O     12.83367648      6.62892088     -7.56265813
  H     15.60677601      5.73375357     -6.56207168
  H     17.56742623      5.34500093    -14.69377189
  O     14.50472609      9.74820827    -11.89238104
  H     15.30598928      4.21894505     -6.60534597
  H     15.59525046      5.54383387     -8.85557726
  O     18.68201377      8.93837478    -11.16416560
  H     13.20118136      7.44305092     -7.19092849
  H     15.91286443      6.97596235     -9.32832637
  O     20.30107225      9.39276093     -8.85628067
  H     13.50916407      5.95714306     -7.41864776
  H     17.88080113      7.87442829    -14.01913277
  O     18.02390316      6.31320858    -11.29814568
  H     14.38547542      8.80122639    -11.72727389
  H     18.30099624      8.97741029    -13.02858314
  O     11.68698377      7.30931255     -9.90897709
  H     14.72325421      9.83573547    -12.82916518
  H     17.62629103     12.09453664     -5.69710611
  O     15.63885645     12.04041988     -8.16722497
  H     19.34302256      9.03763139    -10.47132781
  H     16.87051800     11.72631978     -6.99805672
  O     12.42579325     10.06330090    -10.00801252
  H     18.44843907      7.99516292    -11.18427274
  H     16.34258784      9.43463810    -14.32565761
  O     12.97604178     11.26766425     -7.66934235
  H     19.95632729     10.30284507     -8.90180542
  H     15.42195104     10.21384978    -15.29639172
  O     14.22377441      8.90834293     -6.72688740
  H     21.25220778      9.45656685     -8.82638311
  H     16.91276808      8.61416217     -8.10326670
  O     17.38392344      6.02054077    -14.04693389
  H     17.26968616      6.07312994    -10.74461901
  H     16.28920082      9.34019487     -9.32174114
  O     15.77762312      6.06763504     -9.64332487
  H     17.79695912      6.07874525    -12.20656366
  H     18.25653693     11.67425225     -9.56822793
  O     17.92161984      8.83276122    -13.90425678
  H     10.81188223      6.93464374     -9.95861490
  H     18.62597228     11.85473371     -8.08737032
  O     17.66321407     11.53125111     -6.46519930
  H     12.06858966      7.02490937     -9.05857791
  H     17.03853449      7.61534670     -5.97869638
  O     15.41460036      9.66113307    -14.52008480
  H     14.70708495     11.83585026     -8.01922109
  H     15.51749141      7.80923531     -5.82209900
  O     16.15314013      8.61523769     -8.70295323
  H     15.87098323     11.69787096     -9.03796428
  H     14.59724489      6.59924900    -10.90082838
  O     19.00627526     11.77853281     -8.97255418
  H     12.09435516      9.15731308     -9.97794513
  H     13.12439472      7.05722866    -11.04867623
  O     16.22854854      7.16243693     -5.71514881
  H     13.07924356     10.08939048    -10.71841930
  H     18.08582082      9.72989067     -6.65360140
  O     13.97515894      7.03012470    -11.50365366
  H     12.73292894     10.85781747     -8.51999416
  H     19.03632266      8.84998573     -7.50338631
  O     18.26843925      8.81690479     -6.91962094
  H     12.24089296     11.81408590     -7.40618533
  H     14.42558439      6.83051929    -13.28282998
  O     14.80474916      6.85783965    -14.17273997
  H     14.84593062      8.83279551     -7.46759069
  H     14.87120567      7.79135193    -14.40677257
          69
 Energy    -248.12102115508293     
  O     -7.79411646     -3.11895513     -1.52641141
  H     -7.03225082     -3.70155169     -1.40315589
  H     -1.92124581      1.68534919     -3.21199912
  O     -2.46634636     -1.65702737     -6.87151140
  H     -7.43405597     -2.22452138     -1.54703345
  H     -6.37274247     -0.39744184     -7.81627859
  O     -2.29443063     -3.24788541     -3.29170169
  H     -2.76620077     -2.51310118     -6.53236222
  H     -5.16458278      0.41703004     -7.30839791
  O     -7.19329020     -6.61143710     -3.16113558
  H     -2.76602353     -1.60462090     -7.78690605
  H     -6.08986302     -8.28325744     -5.97352908
  O     -6.57356301     -0.54886442     -1.92187628
  H     -2.67623039     -3.46180343     -4.15089728
  H     -6.37280359     -6.78021714     -6.18494258
  O     -3.32678385     -6.53143087     -4.93316564
  H     -2.86592245     -2.57845046     -2.87865794
  H     -5.58476016     -0.37360683     -4.94635620
  O     -3.87417934     -1.53043601     -9.34004328
  H     -6.78242564     -6.96575723     -3.96000049
  H     -6.85855125     -1.13047096     -5.40948645
  O     -3.79251508     -1.21325528     -2.24540636
  H     -7.80672493     -5.92958402     -3.46136621
  H     -1.15936671     -1.84705683     -4.05007769
  O     -5.65093104     -3.47321152     -4.27816679
  H     -6.96156787      0.27212290     -1.62882967
  H     -1.24778825     -1.22601507     -5.45537804
  O     -7.10996116     -5.58997620     -7.23695225
  H     -6.62122165     -0.55026812     -2.89364567
  H     -8.12119083     -2.42744636     -6.93429237
  O     -4.10571917      0.31133142     -5.70953393
  H     -3.22069932     -6.43876750     -3.97920001
  H     -6.62707935     -2.46282998     -7.31743158
  O     -2.43312973      0.95437306     -3.54680206
  H     -4.20824179     -6.89607764     -5.08844726
  H     -9.10358089     -3.95207619     -5.59669585
  O     -5.62584062      0.13945228     -8.11096056
  H     -3.68007795     -1.29455889    -10.24287609
  H    -10.25014316     -3.96123999     -6.63769591
  O     -5.95579482     -7.42225505     -5.58422148
  H     -4.50234819     -0.86717030     -9.00065631
  H     -3.33238528     -4.92336959     -5.65029688
  O     -6.39525120     -0.79754663     -4.62932859
  H     -4.69807409     -1.00588337     -1.99084047
  H     -4.33784657     -3.78976327     -5.29774747
  O     -0.91964063     -1.06359568     -4.56106575
  H     -3.40350887     -0.39308222     -2.57350645
  H     -4.64947965     -3.80838448     -7.29749543
  O     -7.33531241     -1.87464567     -7.01822095
  H     -5.56736300     -3.83202359     -3.38267697
  H     -4.82168715     -2.98759480     -8.59553109
  O     -9.30867859     -3.84507971     -6.54304745
  H     -5.83363563     -2.52650264     -4.22876198
  H     -7.44508887     -4.00553579     -4.30495414
  O     -3.53912677     -3.99134630     -5.81617541
  H     -7.92238542     -5.09649849     -7.07894150
  H     -8.40361847     -3.75262492     -3.13752118
  O     -5.28599403     -3.57397636     -7.98596398
  H     -6.49622289     -4.96630808     -7.64605006
  H     -6.09435136     -5.56241289     -2.21583059
  O     -8.36478315     -4.12990142     -4.02836475
  H     -3.54046731     -0.37162634     -6.09805373
  H     -4.64687529     -5.16813658     -1.80927372
  O     -5.55155178     -4.84089179     -1.85696153
  H     -3.59241070      0.70869048     -4.99577617
  H     -2.54683418     -4.83297661     -2.48788076
  O     -2.86353699     -5.69891454     -2.17953404
  H     -1.79762676      0.29546766     -3.88208178
  H     -2.20341304     -6.03336541     -1.57742087
          69
 Energy    -248.12073622577833     
  O     13.89314203      5.40803367    -16.34024203
  H     14.27691561      6.29040564    -16.42812831
  H     18.65808107     10.21163103    -14.04910289
  O     18.36308865      5.41526372    -10.92368740
  H     13.03258714      5.54667756    -15.92508893
  H     16.61016213     10.57340107    -15.84590016
  O     15.94312582     11.51055002     -9.89282339
  H     18.99486501      4.70168264    -10.86995602
  H     16.06462240     11.21856809    -17.13909723
  O     15.14800643      3.50759304    -14.86597009
  H     17.80952642      5.23485541    -11.70143060
  H     17.17074068      8.42147380    -11.55679660
  O     13.92803201      9.53104508     -9.16089755
  H     15.87355946     12.42595475     -9.63126326
  H     16.23261077      9.48220641    -12.20414295
  O     16.12671534      5.67378410     -9.12328572
  H     16.02150723     11.50717330    -10.86021986
  H     10.67257229      5.70655034    -14.82106264
  O     13.75139323      7.99847583    -11.43031584
  H     14.75051591      4.17699939    -15.45234402
  H     11.96471868      5.23439287    -14.11434585
  O     19.82213914     10.06237204    -12.69751822
  H     15.32157501      2.74036691    -15.40485041
  H     17.00117486      8.92548471     -8.29531379
  O     15.63516387      7.85366152     -7.59598231
  H     14.43319885      8.96093170     -8.56630204
  H     17.12673234     10.21511645     -9.12719502
  O     14.78969227      8.04132875    -16.05939821
  H     14.52172628     10.25546361     -9.39035381
  H     15.17331391      5.30088347    -11.93908745
  O     16.67262771      5.06304889    -13.09579262
  H     16.95706436      5.56675153     -9.59958366
  H     14.08037594      6.23289499    -11.33341758
  O     17.88557265     10.13774853    -14.62891678
  H     15.43588344      5.46076856     -9.76499422
  H     18.79547649      7.25871250    -10.79875875
  O     15.82062708     10.65970414    -16.40544290
  H     13.59898589      8.51861222    -10.62970140
  H     18.51871490      8.61333488    -10.03682131
  O     16.34124854      8.53620316    -12.03641212
  H     14.69156460      8.12369896    -11.63569334
  H     15.27231446     11.23539702    -13.11858850
  O     11.59440680      5.91846225    -14.70064635
  H     19.54812300      9.39437273    -12.04882497
  H     16.80548070     11.04219525    -13.28482287
  O     17.63176721      9.46528752     -8.78913340
  H     20.60599751     10.47010904    -12.33846814
  H     12.34735068      7.58432801    -14.26790875
  O     14.42373726      5.32671133    -11.32907496
  H     15.49998523      7.57063904     -6.69559987
  H     13.12797981      8.23887536    -13.10185934
  O     18.84648565      8.21922173    -10.86270422
  H     15.79649141      7.04886886     -8.11981156
  H     13.55435044      3.66249350    -13.74388541
  O     16.11562500     11.23015376    -12.63741544
  H     15.08038700      8.91325965    -16.34961995
  H     13.25976052      4.39353072    -12.42766494
  O     12.90322051      8.33947182    -14.03865218
  H     14.13583710      8.17639959    -15.35553419
  H     13.42762455     10.17617690    -14.18547291
  O     12.83335161      4.01425068    -13.20876971
  H     16.85301881      5.84402338    -13.63867417
  H     14.41988477     10.96359804    -15.07303762
  O     13.92702376     11.00073912    -14.24414565
  H     16.23050467      4.42697377    -13.67272995
  H     16.22449873      7.56329945    -15.06489647
  O     16.97037098      7.45848562    -14.45758867
  H     17.68940635      9.19128718    -14.66940144
  H     16.69497130      7.83067333    -13.60330233
          69
 Energy    -248.12062583218781     
  O     17.05088269     11.40345637    -11.69505019
  H     16.35110032     11.62371523    -12.32619658
  H     16.35549207      7.97424466     -8.60828497
  O     13.13002927     12.83112704    -11.80995250
  H     17.63306453     10.79705078    -12.16180992
  H     18.86035365      6.13667646    -13.46457022
  O     13.55638767      9.32596976     -9.01467703
  H     13.79626494     12.58088361    -12.46369107
  H     17.72498007      6.25095645    -14.49709472
  O     14.84136601      7.01494026     -8.03611177
  H     13.59515891     13.05614130    -10.99654298
  H     19.03307987      8.49200675    -11.46609238
  O     11.94979753     11.61655737     -8.58028377
  H     13.90617410      8.53418923     -8.59010768
  H     18.56064467      8.17480168    -10.02982268
  O     10.85534863     11.49772283    -11.24062577
  H     14.31352530      9.89873248     -9.20509361
  H     13.28931862     12.74574460     -8.82814541
  O     17.11989571     10.87237789    -15.17761821
  H     14.59797948      6.40887805     -8.75965280
  H     14.08322798     14.05710089     -8.61044326
  O     16.01106993      5.37441527    -14.66903344
  H     14.73232559      6.53170957     -7.22175231
  H     11.39107460      9.73426488    -11.23639037
  O     14.99777450     11.73259936    -13.59377776
  H     12.40412698     10.76335633     -8.55442147
  H     12.47268803      9.00501332    -10.39573055
  O     15.98712276      8.03206888    -11.66654071
  H     11.42273887     11.60453152     -9.38895205
  H     17.28971686      8.80530756    -12.66932665
  O     16.31764612      5.23271765    -11.88511397
  H     10.11033763     11.95148772    -11.62442406
  H     18.37206553      8.32300485    -13.64772571
  O     16.98431989      8.53417528     -9.08114813
  H     11.65323379     11.99006210    -11.51019816
  H     19.83868869      4.89500198    -11.37092232
  O     18.57116374      6.63692246    -14.23773322
  H     17.50047412     10.23364990    -14.55748895
  H     19.20609073      6.30188607    -11.25350127
  O     19.23083244      7.95414970    -10.69157353
  H     17.83558733     11.13654561    -15.75119495
  H     13.80233023      7.63781496    -13.97999763
  O     14.08567882     13.23716648     -9.09693605
  H     15.17712748      5.86447661    -14.55317852
  H     13.12771502      6.38340874    -13.42812259
  O     11.88173793      8.90630283    -11.15837203
  H     15.86514365      4.75374039    -15.37812702
  H     11.17336206      5.83634281    -11.82519417
  O     18.07298352      9.10352428    -13.15687508
  H     15.65909537     11.58898873    -14.28390214
  H     11.90657315      7.17573321    -11.59790069
  O     19.10299820      5.42502811    -11.66475091
  H     14.56745149     10.87342817    -13.45864048
  H     13.43081413      5.65298476    -10.67661416
  O     13.71330011      6.68758435    -14.13111492
  H     16.04235505      7.07368406    -11.76706083
  H     14.91490690      5.22161655    -10.69620783
  O     12.03777446      6.24092504    -11.82998307
  H     16.27772321      8.23722244    -10.76945741
  H     14.67432512      8.85245696    -12.51621857
  O     14.17569416      5.42685415    -10.10739796
  H     17.27025403      5.19486654    -11.72686256
  H     13.17535221      9.22599144    -12.45175781
  O     13.95193299      9.25560881    -13.02336107
  H     16.18956413      5.14228487    -12.83870610
  H     16.25386647     11.15483817    -10.17218733
  O     15.76432695     11.00321236     -9.34742120
  H     16.66880242      9.44666305     -9.00603301
  H     15.30187377     11.82635410     -9.15173455
          69
 Energy    -248.12032226595994     
  O     11.15530660      9.12665560     -9.12453727
  H     11.81020756      9.40052635     -8.47232732
  H     13.41664906     12.21428919    -14.01290641
  O     13.59895315      9.21543905    -17.03253313
  H     10.98576707      9.91342719     -9.66143563
  H     17.57094075     10.21213243    -10.23104992
  O     11.62727253      7.08397571    -10.85586015
  H     12.80193899      8.71643110    -16.77600087
  H     17.29405209      9.53464619    -11.60431279
  O     14.65895548      8.81145281    -14.45053554
  H     13.86731683      8.88359956    -17.88550280
  H     15.80877852      7.81980733    -11.71347534
  O     11.95856006     11.58734810    -16.71477465
  H     11.41762798      7.78640139    -10.21417855
  H     15.97158193      8.25784959    -13.17499824
  O     12.13034083      8.27590736    -13.38241562
  H     11.06566834      6.34286306    -10.64597761
  H     13.34815785     13.76569827    -11.29610134
  O     15.27873829      8.33991584     -7.98378050
  H     13.82921341      8.56238146    -14.01565646
  H     11.97574442     13.05977137    -11.24337032
  O     13.88598668     10.43401156    -10.98562792
  H     14.45022687      8.92219072    -15.38609572
  H     14.17994338      8.67643466    -10.72044404
  O     13.16897835     10.18179415     -7.34791828
  H     12.21915784     12.09342936    -15.93271138
  H     13.49348531      7.30190614    -10.62723971
  O     15.26306365     13.83929416    -10.65644808
  H     12.62998765     10.90703257    -16.84511784
  H     17.89026534     12.94153762    -12.84449581
  O     11.25324564     11.29981475    -10.87324183
  H     11.64977214      9.11622048    -13.36810014
  H     17.37023270     11.80714133    -11.92252925
  O     12.57476077     12.66241564    -14.18502208
  H     11.93507501      7.82149503    -12.55516428
  H     11.35342720     11.37657688    -13.77293962
  O     17.64317498     10.33492329    -11.18324157
  H     14.99682739      7.98466122     -8.83903404
  H     10.17377415     10.53514114    -14.31267692
  O     16.46080109      8.13860154    -12.35190098
  H     14.51632159      8.81564481     -7.63350559
  H     15.80335580     11.37565410     -8.61558574
  O     12.45449596     13.79281984    -11.65305624
  H     14.24771262     10.77669598    -11.81330164
  H     15.08648014     12.59135229     -9.29761820
  O     14.34736288      7.73835799    -10.53539677
  H     14.31766404     10.89318886    -10.25493945
  H     14.94730140     10.47552696    -13.83317435
  O     17.12110645     12.63950671    -12.37002091
  H     12.90021648     10.57864370     -6.52220335
  H     15.71889849     11.72595717    -13.24699630
  O     10.72018814     10.68347368    -13.53220576
  H     13.71565055     10.84117112     -7.80488983
  H      8.90056382     10.59747423    -16.61317719
  O     14.94599080     11.79948904     -8.76318299
  H     15.90731358     13.47134847    -11.28154626
  H     10.42164166     10.80522420    -16.40792896
  O     14.85166507     11.35407875    -13.43808485
  H     15.46248871     14.77000067    -10.57585178
  H     17.91280634     10.09738132     -7.73933782
  O      9.64940433     10.28882308    -16.11113332
  H     12.16056690     10.95573483    -10.90292325
  H     16.58624410      9.45037709     -8.20649229
  O     17.20461036     10.18579830     -8.37122979
  H     10.86449131     11.09212731    -11.73401841
  H     10.64842375      8.64896552    -16.14057834
  O     11.35749874      7.99561932    -16.08730078
  H     12.43463781     13.23259866    -13.41667647
  H     11.56646439      7.90710352    -15.14721753
          69
 Energy    -248.12023542648143     
  O     -2.88765179     -1.29009654     -0.00219449
  H     -2.13408853     -1.19303665     -0.60003252
  H     -2.74115036     -2.73138067      2.80007335
  O     -1.68153677     -1.57827426      4.06164809
  H     -3.65519613     -0.90193688     -0.44191619
  H      1.47406975     -0.39925533      3.03353905
  O      3.24205307     -2.45400893      0.75330494
  H     -1.27891345     -0.99912774      4.71848022
  H      2.47122105     -1.27365724      3.82774336
  O     -0.72445737     -0.88015555     -1.74442749
  H     -1.00590882     -2.24915332      3.86691308
  H      0.09302190     -2.28665588     -0.77694304
  O     -2.58390515      0.90137409     -2.71477776
  H      2.37634674     -2.59385321      0.34588784
  H      0.03674902     -3.47291007      0.25118143
  O     -4.92514483      0.21991401     -1.17537872
  H      3.55999485     -1.59542075      0.44995719
  H     -2.50444224     -0.18555539      1.35703355
  O     -2.19766086      3.32737835     -1.22922629
  H      0.04486348     -0.33237281     -1.53451243
  H     -2.16184573     -0.32337107      2.86743352
  O      0.31620696      3.16225790     -0.30421626
  H     -1.33536707     -0.30711555     -2.23183760
  H     -1.14779116     -5.67005892      1.00841735
  O      4.07408342      0.18549996      0.00616004
  H     -2.39916231      1.75349623     -2.29915582
  H     -1.70032972     -4.29857812      1.46905170
  O      1.41518897      0.64794145     -0.76143814
  H     -3.45787001      0.64918362     -2.39405820
  H     -0.50220312      1.64771718      4.36052353
  O      0.45517875     -0.44478869      1.58023229
  H     -5.87494332      0.21350722     -1.25098569
  H     -1.31527882      1.71300955      3.05750868
  O     -2.96415570     -3.23218806      2.00747724
  H     -4.69462308      0.92137008     -0.53909799
  H      3.74006828     -3.56009962      3.67032760
  O      2.03095526     -0.41487719      3.82990959
  H     -2.30762064      4.18416981     -1.63329714
  H      3.16477271     -2.83108720      2.43131305
  O      0.56043630     -2.72014932     -0.05127345
  H     -1.28585060      3.29593725     -0.88835770
  H     -0.02932144     -4.04338468      2.74614217
  O     -2.23372366      0.31542210      2.14102423
  H      0.74930405      2.34437518     -0.58329963
  H      1.17304272     -3.39039160      3.47062626
  O     -0.89646006     -4.76677453      1.17872145
  H      0.66507303      3.36045977      0.57217278
  H      0.76840644     -0.00854536      5.01517570
  O     -0.70071070      2.21542131      3.60542713
  H      3.87897629      0.69305256      0.81502380
  H      0.25137411      0.27640497      6.44573305
  O      3.03221263     -2.99006446      3.38410367
  H      4.93907192      0.45740921     -0.28797637
  H      3.04431326      0.90173092      2.92283836
  O      0.21344959     -3.47975253      3.48978926
  H      2.37024884      0.52134650     -0.73237896
  H      2.73570961      2.24809179      2.24514661
  O     -0.01900899      0.23605881      5.53212831
  H      1.09544083      0.36767623      0.11100569
  H     -3.34286869      2.56884510      0.02017171
  O      3.37503263      1.52523774      2.26375783
  H     -0.45043484     -0.16628744      1.75348240
  H     -3.42722631      1.65075900      1.26112479
  O     -3.95742405      2.06317572      0.57130403
  H      0.43028178     -1.31193137      1.15114136
  H      0.59367554      3.06335732      2.80408088
  O      1.32073007      3.50542785      2.33108902
  H     -3.03256387     -2.59048423      1.28552795
  H      1.42966330      4.36142516      2.73808075
          69
 Energy    -248.12007242745335     
  O     11.68577509     10.41226553    -14.63280275
  H     12.13360892      9.93971936    -15.34857676
  H     18.46956688      8.75207065    -15.90228925
  O     16.27296380      6.54389269    -13.53097025
  H     12.19405008     11.21768211    -14.48148753
  H     16.33358416     12.00981874    -15.21068954
  O     17.20040184     10.68746794    -11.60931265
  H     15.60667089      6.42024895    -12.84145509
  H     15.49898532     11.41686643    -16.36431469
  O     17.81934767     11.59077579    -14.24847224
  H     16.98486794      7.07673415    -13.15155386
  H     14.40320576      8.91294915    -14.99137009
  O     13.10847160      6.14234317    -16.30338123
  H     16.26211440     10.79723738    -11.82752358
  H     15.43116050      8.13083070    -14.13153572
  O     14.80955976      8.60850446     -8.70051917
  H     17.24916608     10.55179549    -10.65573067
  H     10.07953804      8.67545787    -12.58280271
  O     14.30341412      6.40316564    -11.59297997
  H     17.69057428     11.42511750    -13.30586126
  H     11.23668756      9.29193938    -13.40356847
  O     14.58641444     10.82716751    -12.41079553
  H     18.22857892     10.78996251    -14.59433359
  H     17.89795434      8.25527680     -9.50700657
  O     17.47180907      8.06208111    -17.30449844
  H     12.85875320      6.17113134    -15.36094976
  H     18.24703820      7.58135850    -10.84628039
  O     15.82192519      5.97364726     -9.27971275
  H     12.54659148      5.49103622    -16.71421976
  H     11.88023040      7.07196376    -13.41817673
  O     15.94567683      6.16800324    -16.21799691
  H     14.15463540      8.76637670     -9.39415434
  H     13.05352582      6.17589702    -12.98577044
  O     19.01923975      9.10771617    -15.18887512
  H     15.04707109      7.67558848     -8.76633953
  H     18.60762752      8.49635806    -13.44992018
  O     15.53344510     12.14761245    -15.74023921
  H     14.76679255      6.11294066    -10.79776938
  H     17.83523937      9.11362005    -12.26409751
  O     15.07760785      9.00849122    -14.31038261
  H     13.96519763      7.29055095    -11.40331357
  H     16.29313040      9.52513461     -8.78923124
  O     11.01896843      8.61775348    -12.73423754
  H     14.15125576     11.56700468    -12.84687629
  H     17.36569948     10.38505296     -8.07983507
  O     18.04623953      7.39503729     -9.91999795
  H     14.78684175     10.17992609    -13.11163525
  H     16.19272378      9.36247533    -17.58234659
  O     12.42509401      6.32779547    -13.70276663
  H     17.92954816      7.65416382    -18.03531923
  H     15.63883918     10.38143491    -18.60269760
  O     18.22378891      8.28771867    -12.59058771
  H     16.91165963      7.36675985    -16.90969785
  H     12.37930474      8.81761251    -11.46443501
  O     17.17394216      9.92821955     -8.89418227
  H     16.65920751      6.40938114     -9.52153202
  H     13.69191727      9.63207636    -11.43063122
  O     15.47466540      9.99175794    -17.74647547
  H     16.04729485      5.23616280     -8.71964207
  H     14.15091670     12.51302802    -14.77309959
  O     13.21413121      8.91328087    -10.99045314
  H     16.11766976      6.15735793    -15.26382822
  H     13.21425467     13.59573062    -14.18769773
  O     13.39303892     12.65983097    -14.17714037
  H     14.99060595      6.08347992    -16.31811058
  H     13.13790764      7.98569700    -16.55630578
  O     13.19149161      8.94574186    -16.46433632
  H     19.90556982      9.18417266    -15.53656178
  H     13.90992895      9.26722186    -17.02363696
          69
 Energy    -248.12001180151105     
  O     19.40981667     10.37119345    -11.99685647
  H     20.20608758     10.57339403    -12.49951591
  H     17.76443386     11.19083304    -16.30768621
  O     14.37283868     15.74873880    -13.42223980
  H     19.13518939     11.20903531    -11.59916053
  H     19.96781051     14.63530929    -14.20210321
  O     20.61702818     13.96201794    -12.66146434
  H     13.93611193     14.99714028    -13.86557396
  H     18.62483915     14.97912858    -14.90025187
  O     17.29722592     11.66397847    -17.97348208
  H     13.75688883     16.47624692    -13.43923428
  H     14.60362883     11.01625992    -12.17739515
  O     20.54308332     12.26232898    -15.82553068
  H     21.10951270     13.14781413    -12.81354852
  H     14.79008064     10.71603528    -13.67793739
  O     15.33049153     10.41711272    -10.69770181
  H     19.92010920     13.72319438    -12.03484353
  H     17.93328299     12.84131255    -12.00589487
  O     15.95694843      9.49494352    -14.49866200
  H     18.18115743     11.78614582    -18.33926578
  H     17.84675336     12.92270867    -10.46637515
  O     21.66021215     11.36623277    -13.48278913
  H     16.95334191     12.54957644    -17.77891013
  H     13.03915288     12.83657893    -17.93780584
  O     19.96427219     12.43982823    -18.60117795
  H     20.20313594     13.13440610    -15.57108491
  H     14.06864540     11.97458723    -17.17008663
  O     13.33351528     13.52025452    -14.54507277
  H     20.49671064     12.21658631    -16.78753022
  H     18.03534370      9.30884904    -12.06990978
  O     16.28874133     12.82885367     -9.43160716
  H     15.74838835     11.10235541    -10.16335479
  H     17.48287117      7.90518413    -11.73463695
  O     18.09660980     10.97748031    -15.42420685
  H     16.03160855      9.83995333    -11.02729857
  H     16.38805154     14.48137350    -16.38818469
  O     19.55152554     14.76269710    -15.06846492
  H     16.26260686      9.08458968    -13.67974096
  H     15.33454673     13.86319411    -17.34309528
  O     14.43114024     11.37225493    -13.06453010
  H     16.74899071      9.92252300    -14.85848544
  H     14.26723365     13.10240570    -11.82146742
  O     18.47099817     12.88995174    -11.19973955
  H     22.57577318     11.11022517    -13.56382713
  H     14.57626548     14.60126506    -11.89892931
  O     13.71251535     12.87628681    -17.26347550
  H     21.36577051     11.63042900    -14.37022053
  H     16.84221765     14.16524984    -14.24473567
  O     17.22615828      8.76668803    -12.05370012
  H     19.66297246     13.35032340    -18.42183197
  H     16.03952236     15.47969484    -14.27563472
  O     16.25207208     14.15697785    -17.29034428
  H     20.48401056     12.47230151    -19.39955155
  H     17.39364666     12.01757808    -14.12651971
  O     14.58297323     13.84558282    -11.29909814
  H     13.39232214     13.32760504    -15.48870339
  H     16.09655583     12.21606048    -13.28620136
  O     16.77980469     15.02455480    -14.69215765
  H     13.58348663     12.70810122    -14.08663748
  H     19.28296366     14.98536766    -16.94128228
  O     16.95962728     12.59655145    -13.48546458
  H     15.67352267     13.27629411    -10.04001270
  H     18.02001788     14.77820767    -17.80203517
  O     18.98225619     14.84241534    -17.84910577
  H     16.06762418     13.12351600     -8.55214026
  H     15.15724218      9.96874884    -16.22643392
  O     14.91864762     10.45636244    -17.02292353
  H     19.01404698     11.27252344    -15.42191148
  H     15.74510782     10.67402125    -17.47593113
          69
 Energy    -248.11973904792370     
  O      2.78583358     -8.00040380      2.06521812
  H      3.42450920     -7.34571364      2.37771959
  H      0.26205743     -5.45547812     -4.11847780
  O      0.57116036     -9.63963469     -1.09377314
  H      1.92130866     -7.57268745      2.10190722
  H      3.96445198     -5.18854788      2.27127677
  O     -1.89601163     -5.84993266     -1.58283218
  H      1.44876212     -9.69286068     -0.69961566
  H      4.78021582     -5.42581429      3.55241408
  O      3.83621915     -5.03159541     -3.29883054
  H      0.69548019     -9.26897416     -1.97944162
  H      2.52592404     -7.96371299     -2.85958497
  O      3.25084010     -9.42873440     -0.15938200
  H     -1.65920199     -6.57914813     -0.99105142
  H      3.34559312     -8.20136806     -1.56318338
  O      1.57804541     -4.21846935     -4.55805512
  H     -2.72740050     -6.10422007     -2.00369280
  H     -0.19092426     -3.17882179      2.84282100
  O      1.00028210     -8.58626822     -3.65658750
  H      4.00092975     -4.45541958     -2.54400800
  H     -0.21114919     -3.62741628      1.36235164
  O      3.90120785     -3.06384616     -1.12184888
  H      3.76641343     -5.93342023     -2.95594573
  H     -2.86678124     -8.80866561     -0.59531746
  O     -1.64383078    -10.93944750     -2.34468357
  H      3.83577534    -10.15188132      0.04940001
  H     -3.81061149     -8.51414090     -1.77191248
  O     -1.31065162     -7.98237144      0.10478914
  H      3.11115618     -8.93227886      0.66775280
  H     -1.66593500     -7.13365743     -4.72431449
  O      1.19323024     -3.27280471     -1.96072555
  H      2.42713022     -4.53625819     -4.19996375
  H     -1.99162540     -8.61520868     -4.98695904
  O     -0.30801335     -6.18476233     -3.85140436
  H      1.75281503     -3.87363920     -5.42925235
  H      0.76041880     -6.36314037      0.82020188
  O      4.44512368     -5.86360239      2.77345599
  H      0.46536754     -9.20624172     -4.16718063
  H      0.26932271     -5.64464310      2.08718978
  O      3.16521835     -7.55484271     -2.25815489
  H      0.55304310     -7.72841600     -3.71931449
  H     -4.93089967     -6.74143201     -3.28866098
  O      0.28158476     -3.70132948      2.20106173
  H      3.65795882     -3.37384809     -0.23424088
  H     -3.55125759     -7.30287364     -3.70672129
  O     -3.50086260     -9.22284305     -1.19640858
  H      4.55753240     -2.38148625     -1.00393640
  H      2.14212478     -6.41911932     -1.23959897
  O     -2.38933592     -7.73737148     -4.94194844
  H     -0.88181827    -10.72146475     -1.79508407
  H      1.36397513     -5.06389633     -1.19086479
  O      0.39865143     -6.52045300      1.70825910
  H     -2.38677641    -10.43949170     -1.97456295
  H     -0.99892105    -10.96484445     -5.43632488
  O     -4.07906058     -6.99863639     -2.94682611
  H     -0.87207513     -7.55059197      0.84819117
  H     -1.26107758    -10.53857313     -3.97129834
  O      1.64375939     -5.82366818     -0.66695285
  H     -0.66088007     -8.58619545     -0.28375999
  H      2.55995103     -4.86076343      0.57541441
  O     -0.96313283    -10.21955139     -4.84370118
  H      1.22255426     -3.45292058     -2.90881365
  H      2.07387025     -3.86079684      1.63588113
  O      2.86912513     -4.17014688      1.18307776
  H      2.09214260     -3.03361138     -1.70218081
  H     -0.26977460     -3.29372960     -0.83780972
  O     -0.94245761     -3.57905423     -0.20438441
  H     -0.77973881     -5.94731564     -3.04042866
  H     -1.39331054     -4.32213599     -0.62645860
          69
 Energy    -248.11972747067878     
  O     -1.69155676      3.51640549      3.21467811
  H     -2.23029436      3.44807903      2.41654245
  H      0.92791054      8.84866133      1.24659322
  O     -2.70950956      6.11240281     -0.47285527
  H     -1.48341923      4.45568403      3.30686081
  H      0.86665480      3.35412214      1.01446664
  O      3.07250518      6.61304878      0.64011594
  H     -2.63615282      6.81041132      0.18800977
  H      0.93204928      2.12957998      1.95206197
  O      2.13510132      8.42374237      2.53153917
  H     -1.85887605      6.07867581     -0.93763372
  H     -0.59110073      3.34276161     -3.38786896
  O     -0.24536928      5.84432072     -1.61847599
  H      3.58045267      5.79627728      0.55247110
  H     -0.32635958      2.84754201     -1.96015391
  O      2.56592364      2.86499417     -1.19073940
  H      2.81262220      6.92350905     -0.23632399
  H      2.03333158      8.47810951     -2.17399945
  O      0.65643427      5.16077098      0.91247236
  H      2.62034792      7.84515490      1.92470896
  H      1.21971717      8.26257372     -0.87227151
  O     -2.14612059      7.95850854      1.58434287
  H      1.97044046      7.88215191      3.31074671
  H     -2.37995513      1.30053474     -1.82720551
  O     -1.18783652      2.01159297     -0.58590939
  H      0.45739518      6.48643772     -1.77823322
  H     -2.83495425      1.81729703     -3.20082118
  O     -0.72134768      6.14873107      3.07291690
  H     -0.04859105      5.02487533     -2.09286956
  H      3.17871666      4.09004757      2.54937582
  O     -3.07002964      3.60723456      0.71921708
  H      2.06189989      2.50789995     -0.44308995
  H      2.10833812      3.52695685      3.52006154
  O      0.35333650      8.90576916      0.46725026
  H      1.91341807      3.03806270     -1.87688884
  H     -4.47595151      4.06983458     -2.10636842
  O      0.99240330      2.39131134      1.02697652
  H      0.27191687      5.36252705      0.04966768
  H     -3.63180554      5.34128231     -1.92024004
  O      0.08128955      3.33164832     -2.69453874
  H      1.48690132      5.65190998      0.95954162
  H     -2.52445317      3.53636354     -5.15146485
  O      1.73295099      7.80684483     -1.56782381
  H     -1.68753549      7.35781477      2.19644817
  H     -2.86708419      3.92807772     -3.69638476
  O     -3.09969497      1.24282371     -2.47229145
  H     -2.69863224      8.52546521      2.11676643
  H      0.54088883      1.63063660      4.45962217
  O      2.74957397      4.23898054      3.39761387
  H     -0.43133628      1.94745307      0.01079702
  H     -0.21005288      2.68673428      3.61358539
  O     -3.97634339      4.73807144     -2.59137439
  H     -1.83274716      2.57516849     -0.13591378
  H      1.93363102      6.49286234      5.46819189
  O     -2.27866857      3.37781387     -4.24396005
  H     -0.02150710      6.32854590      3.71239888
  H      2.09266323      5.68948462      4.15806697
  O      0.66066252      2.27674826      3.76940512
  H     -0.27584735      5.77405074      2.29519731
  H      5.01206872      3.68629978      0.67024133
  O      1.63659220      6.44816519      4.56331037
  H     -2.95031614      4.49912335      0.36267946
  H      3.63706441      3.64660612     -0.03015122
  O      4.13327137      4.05615452      0.69992218
  H     -3.83897239      3.23361855      0.27017996
  H     -5.84840411      2.08651570     -1.00591659
  O     -5.01593853      2.54894268     -1.04479241
  H     -0.53030682      8.67104355      0.76650783
  H     -4.40779231      1.99213139     -1.56363084
          69
 Ord_Energy   -248.119598    
 O   -4.44139576       3.80688620       7.76880383E-02
 H   -3.66032624       4.20831251      0.478570879    
 H   -4.29829454       3.78791642     -0.877497971    
 O   0.666484475      -2.67807436       1.77100432    
 H   0.964266241      -3.58400869       1.79026520    
 H  -0.303380907      -2.70440364       1.69117641    
 O   -1.92397726      -1.82801211      -1.43032610    
 H   -1.06029558      -1.49465406      -1.14461505    
 H   -1.98429656      -1.58178818      -2.36213303    
 O   -4.74049664      -2.38051414       1.66395319    
 H   -4.91298628      -1.63890600       2.25630212    
 H   -4.89553928      -2.04524112      0.770436645    
 O   -2.02491212      -2.40023470       1.33613694    
 H   -2.95422554      -2.55261183       1.56190062    
 H   -2.00420117      -2.28017521      0.377459854    
 O   0.403293133     -0.818348289     -0.355674535    
 H    1.16261709     -0.398244739     -0.780222118    
 H   0.714048147      -1.40130544      0.345557600    
 O   -4.78890324      0.111390382       3.12665248    
 H   -4.59789658      0.553343296       2.27931929    
 H   -5.50698900      0.589335084       3.53243804    
 O   -4.23433590      0.716276348      -3.11967206    
 H   -4.55445719      0.122655332      -2.43012404    
 H   -3.46536899      0.278315216      -3.50475049    
 O   -4.60421371      -1.01332867     -0.867276847    
 H   -3.70605564      -1.31761444      -1.05841744    
 H   -4.51171255     -0.217051864     -0.321670324    
 O   -2.14222598       4.70912981       1.56622148    
 H   -2.24929309       5.38185310       2.23514700    
 H   -1.81723988       3.91504288       2.02234697    
 O   -4.09317350       1.19622958      0.728577077    
 H   -4.35969543       2.10473847      0.527074158    
 H   -3.15526247       1.13151288      0.499803483    
 O    2.32090950      0.715530038      -1.62098110    
 H    2.23312593       1.41773224     -0.948659956    
 H    3.23302174      0.711232007      -1.89636052    
 O   -1.40080667       1.27928853       7.39990100E-02
 H   -1.12942219       1.75550556      0.868770599    
 H  -0.769716382      0.560466826      -5.41949086E-02
 O   -2.01228714     -0.201233134       3.18384695    
 H   -1.96726465     -0.873296320       2.49051261    
 H   -2.95094705     -0.105325073       3.38873339    
 O   0.107250340       4.50645781     -0.232687786    
 H  -0.320260584       4.11918306      -1.00956607    
 H  -0.614211857       4.72631836      0.366524994    
 O    1.98914063       2.54969907      0.298933208    
 H    1.94996464       2.35308766       1.24048531    
 H    1.38928652       3.29340601      0.138427749    
 O   -1.07202935       2.39903092       2.62995267    
 H   -1.45247889       1.54467106       2.87703323    
 H  -0.128427625       2.36298084       2.83484125    
 O   0.753729224     -0.542909205       3.64147401    
 H  -0.205678523     -0.439757228       3.70016623    
 H   0.889356792      -1.31476140       3.07925010    
 O    1.65599966       1.94873667       3.08412957    
 H    2.25350142       2.24813247       3.76450610    
 H    1.43068600       1.02487183       3.29431796    
 O   -1.91034067     -0.698344767      -4.00158739    
 H   -1.79623353      -1.05758488      -4.87730646    
 H   -1.15882003      -9.87706780E-02  -3.84269929    
 O   0.105557963       1.01822162      -3.45215869    
 H  -0.342416912       1.79839337      -3.09349775    
 H   0.907268405      0.911582947      -2.92965984    
 O   -1.30575609       2.99175572      -2.11282730    
 H   -2.20230412       3.21843767      -2.38629413    
 H   -1.38741767       2.38375950      -1.36124122    
 O   -4.01661062       3.38671303      -2.71328282    
 H   -4.14973736       2.43321109      -2.86402440    
 H   -4.46009111       3.84060550      -3.42489719    
          69
 Energy    -248.11950638933115     
  O     12.61369655     11.63585967    -15.97855795
  H     12.92628045     12.44335230    -15.55561045
  H     18.36395043     10.39172885    -12.89981014
  O     15.16959121      7.92192269    -13.74461450
  H     11.96703483     11.21192330    -15.38871362
  H     17.67167562     10.42643634    -16.13693691
  O     16.12046912     11.33549578    -10.78210777
  H     15.01012025      8.79268497    -14.14426134
  H     16.56999298     10.81845089    -17.14176085
  O     16.71370627     13.24433620    -14.58041907
  H     15.67375974      8.08408900    -12.93712823
  H     15.61186949     10.64437788    -15.28809318
  O     13.09584530      7.69967396    -16.78223417
  H     15.34008662     11.52915602    -11.32306014
  H     14.05534421     10.69967624    -15.28134075
  O     12.86470262      9.53951418     -9.14459271
  H     16.87670781     11.70140726    -11.25631546
  H     10.94369378      9.30737004    -14.54455298
  O     12.76183949      7.35020753    -12.60057869
  H     16.87227849     12.62077205    -15.30461255
  H     11.19287154     10.26738905    -13.36676236
  O     14.00972906     11.68759105    -12.50667342
  H     15.77764392     13.46594432    -14.60668182
  H     11.86255931      7.48294377    -15.57907417
  O     15.97884977      7.58786693    -16.37984953
  H     14.04548220      7.54452581    -16.73421877
  H     10.47797936      6.87313521    -15.25650983
  O     14.12404043      7.14311844    -10.19247618
  H     12.97342533      8.47123903    -17.34972082
  H     17.62717648     12.63637313    -13.23015503
  O     18.50167659      8.79208898    -15.70810917
  H     13.53769861     10.10698468     -8.74364250
  H     18.89595357     12.80587037    -12.36391107
  O     18.38554077      9.44455345    -13.08398994
  H     13.30318686      8.70122019     -9.33022035
  H     16.23680432      9.49596095    -11.03892927
  O     17.04088347     11.12512055    -16.35124875
  H     13.60977759      7.48779148    -13.05257318
  H     15.69680142      8.06449268    -10.78928671
  O     14.82610457     10.40062498    -14.78325603
  H     12.10708252      7.24322192    -13.30053163
  H     15.46935339     11.25957479     -9.08592697
  O     10.99143771     10.24256135    -14.31120960
  H     13.27802520     11.14607592    -12.17920736
  H     15.26128652     11.82539384     -7.67213562
  O     11.16270637      7.43466062    -14.90293385
  H     14.39447639     11.21082817    -13.25894651
  H     15.70998353      8.97278314    -17.71495993
  O     18.14032160     12.24093178    -12.50327760
  H     15.68473163      7.51748864    -15.45956989
  H     14.69963844      9.93247957    -18.37736446
  O     16.34655111      8.56902538    -11.29333199
  H     16.89619681      7.87922073    -16.30131585
  H     12.26384692      9.06336942    -12.03777372
  O     14.98585369     11.12348325     -8.25624946
  H     13.56723521      7.11403523    -10.98803721
  H     12.18748217      9.91304661    -10.75265061
  O     15.64243890      9.77503702    -18.24958220
  H     14.07520526      6.27685772     -9.79467761
  H     13.45993598     14.52572048    -14.06410721
  O     12.03692355      9.94369570    -11.70962264
  H     18.48190500      8.95646469    -14.74811661
  H     13.81192665     13.09274773    -13.60381956
  O     13.80485271     13.69054998    -14.37119496
  H     19.39265623      8.52847179    -15.92262307
  H     12.70331589     10.74457325    -17.49715553
  O     12.81928256     10.13159937    -18.24309397
  H     17.82312349      9.02877499    -12.41970486
  H     12.21715725     10.41168847    -18.92747267
          69
 Energy    -248.11923614091708     
  O      4.47265979     -2.38944204     -1.99950224
  H      5.16238512     -2.25153485     -2.64391395
  H      0.91977421     -2.10009329      2.24534226
  O     -2.13466224     -0.89713297     -0.17943897
  H      4.88306953     -2.27443651     -1.12393595
  H      2.74853263     -6.69150328     -1.75503093
  O      0.27849618     -4.68764301     -1.86040373
  H     -2.93937987     -0.57500669     -0.57599626
  H      2.22920026     -7.87718219     -0.89759317
  O      0.68108348     -4.36471202      4.34726186
  H     -1.61619193     -1.31346670     -0.89183877
  H      2.57262881     -5.24958350      1.62973006
  O      3.56702126     -0.15434515      1.34842765
  H      1.24213737     -4.68363313     -1.78116295
  H      3.86952769     -4.38973826      1.82906254
  O     -0.97697286     -7.88380388     -0.25031402
  H      0.04319686     -5.50240401     -2.32163105
  H     -1.28445331     -4.46612664      1.04067422
  O      1.16376127     -6.15794553      2.27033395
  H      0.17333992     -4.77984640      5.04103326
  H     -0.45600378     -4.94981650     -0.19384672
  O     -0.60283873     -2.04257242     -2.07770011
  H      0.87585742     -5.06470573      3.70564891
  H      3.48229508     -0.77321235      3.12259743
  O      1.79138466      1.33663524     -0.21750138
  H      3.01523254     -0.94013025      1.20236260
  H      2.34649952     -1.54974399      3.80054181
  O      1.97104923     -1.06374425     -1.74223858
  H      3.11748316      0.55706423      0.87992272
  H     -2.08578248     -2.27177307      1.09950205
  O      1.87601550     -2.32853308      0.78276817
  H     -1.12417589     -6.99964805      0.11478095
  H     -1.20307783     -2.57714566      2.31985265
  O      0.47653321     -1.92158903      3.09215927
  H     -0.85209592     -7.75888052     -1.19927786
  H      1.51820006     -9.45035739      1.01356994
  O      2.37029510     -7.57947593     -1.80443672
  H      1.34363055     -7.03868666      1.92024802
  H      0.55066293     -8.38830448      0.43766089
  O      3.24543326     -4.72577171      1.17363666
  H      0.43351602     -5.79916548      1.73904789
  H      0.81178249     -7.46204130     -2.59889109
  O     -0.82943628     -5.22701445      0.65335917
  H      0.26395129     -1.61591298     -2.11469494
  H     -0.18034762     -7.67609181     -3.76968186
  O      3.30187693     -1.42876614      3.81112678
  H     -0.41678118     -2.99048525     -2.07608460
  H      4.37136429     -2.75229559      3.32688778
  O     -1.88655988     -2.95327585      1.75398140
  H      1.61342011      2.24928896     -0.42611595
  H      5.55209476     -3.70149463      3.63080263
  O      1.45087153     -8.52667111      0.78599966
  H      1.07417140      1.03756450      0.37196594
  H     -0.00080098     -0.23816073      2.12360527
  O     -0.09570128     -7.28191829     -2.90616225
  H      2.86475613     -1.38783233     -1.90812164
  H     -0.88738707     -0.00757368      0.88084578
  O      4.95338976     -3.42988722      2.94027457
  H      2.02523410     -0.19110602     -1.33100282
  H      3.21288258     -4.88216350     -0.57678334
  O     -0.16422743      0.37366597      1.39766508
  H      2.35411579     -3.16652050      0.81268301
  H      3.56661563     -4.06989492     -1.84085411
  O      3.07265895     -4.83867660     -1.53587294
  H      1.76326277     -2.06122963     -0.13647776
  H      4.98040012     -1.17725794      0.75972648
  O      5.48809230     -1.95480777      0.48488604
  H      0.51272371     -2.74279712      3.60646528
  H      5.49115813     -2.53251129      1.25532434
          69
 Ord_Energy   -248.119110    
 O    1.85910988      -1.01873350       6.41763687    
 H    2.55771875      -1.39974666       5.87351418    
 H    2.08557630      -8.44338164E-02   6.55359268    
 O    4.22211504      -3.55229735       8.65152931    
 H    3.39733601      -3.12110972       8.91859245    
 H    4.88506460      -2.86692381       8.77972412    
 O    2.79327059     -0.308597773       2.89904356    
 H    2.96035576     -0.641857803       2.02052760    
 H    3.22038460     -0.924809277       3.51703143    
 O    3.28782701       5.12280178       6.28251410    
 H    2.60346889       4.77908945       6.87415218    
 H    4.13299274       4.82994699       6.64210463    
 O    6.12245035       2.03653002       5.51290512    
 H    6.18856144       1.11297095       5.78038359    
 H    5.36066341       2.08025217       4.91701365    
 O   -9.08413231E-02   3.29377913       4.36789227    
 H   0.730635881       3.74110937       4.14037228    
 H   -2.22983006E-02   2.39012361       4.02527618    
 O    1.35492873       3.74374390       7.75101185    
 H   0.425076246       3.77323151       7.49781847    
 H    1.71878314       2.93490577       7.35897779    
 O  -0.763282061     -0.954500914       5.74218702    
 H   -1.15151441      -1.82557201       5.72233248    
 H   0.172781497      -1.06777906       5.98608875    
 O    2.28816628       2.64280510       10.1484461    
 H    1.89405620       3.17500830       9.44278431    
 H    1.72112060       1.86666179       10.2323580    
 O   0.148984373      0.664759398       3.56506395    
 H  -0.246309295       9.82275531E-02   4.23894548    
 H   0.999154627      0.270240635       3.34213257    
 O    3.71773481       2.04741359       4.14709425    
 H    3.37551069       1.32152176       3.61249185    
 H    3.26926756       2.86341333       3.88823628    
 O  -0.947206974      0.891763985       7.91787052    
 H   -1.10697496       1.77115643       7.55359268    
 H  -0.999354959      0.279839933       7.17476463    
 O   -1.25456333       3.46794534       6.77196407    
 H   -2.02468705       4.02582932       6.71439886    
 H  -0.876065433       3.41493177       5.87398100    
 O    4.03960133      -4.33001423       6.01047707    
 H    4.10943460      -4.12262630       6.95710564    
 H    4.03009415      -5.28124952       5.94897032    
 O    2.73997259       1.53539371       6.72890759    
 H    3.43646646       1.63482845       7.39158773    
 H    3.10557032       1.76426899       5.86412334    
 O    4.58309174       1.99770105       8.83081818    
 H    5.00824785       2.77878594       8.45946121    
 H    3.85293293       2.27996397       9.40436745    
 O    6.09069729     -0.734164417       6.26833439    
 H    5.69128180     -0.736635089       7.15577078    
 H    6.93094826      -1.18082988       6.34396458    
 O    2.26694059      -1.60214961       9.08554268    
 H    2.05766702      -1.48361290       8.14732933    
 H    1.70378447     -0.981911242       9.56321907    
 O    5.74969482       4.04478550       7.28909111    
 H    6.54751205       4.54991531       7.42156982    
 H    5.95783091       3.35302639       6.63465691    
 O   0.534527481      0.363974363       10.1310720    
 H   -2.59995996E-03  0.564819753       9.34356117    
 H   -7.67853782E-02  0.261063457       10.8563910    
 O    4.94953918     -0.700373054       8.73434258    
 H    4.95200968      0.257102549       8.88426208    
 H    4.04093266     -0.984684467       8.90090656    
 O    3.98522234      -1.88333237       4.80993891    
 H    4.73370409      -1.44176853       5.23302650    
 H    3.99844956      -2.80413222       5.11222696    
 O    2.45322537       4.49888802       3.79791093    
 H    2.76137829       4.79285812       4.67526388    
 H    2.54806662       5.24163914       3.20818305    
          69
 Energy    -248.11908663862297     
  O     12.84029506     10.61228803    -16.95158199
  H     12.99007874     10.91871611    -17.84182668
  H     12.91219481     12.50326679    -13.08137915
  O     13.71653143      7.75972032    -11.11941315
  H     12.31526813     11.29913667    -16.50259942
  H     17.50993949     10.12627233    -10.57090827
  O     14.36010742      9.57483846    -14.83304235
  H     13.82428621      8.71137943    -10.93619851
  H     17.03632236      9.65475788    -11.97024964
  O     13.33835898     11.56643708     -6.71947881
  H     13.07729361      7.43426814    -10.48597614
  H     15.32750307      7.97097962    -12.32721619
  O     11.23705912     12.36138565    -15.61444183
  H     14.00042004      9.91549314    -15.66136855
  H     15.60142154      8.72168435    -13.64037277
  O     12.20535022      8.51206378    -13.43875916
  H     13.61024434      9.17342459    -14.36770221
  H     12.33523798     15.24693968    -10.42086646
  O     15.23801716      8.01372060     -8.60048960
  H     13.63828446     11.87779751     -5.86979847
  H     12.27305137     13.78418248     -9.92801215
  O     13.91669869     10.46051264    -10.71655630
  H     14.09530792     11.63424871     -7.32921706
  H     17.70617329     13.18335392    -12.88317680
  O     12.74419467      9.00928698     -7.84503971
  H     10.40977425     11.88438144    -15.47422770
  H     17.20800781     11.94811419    -12.08973512
  O     15.43503833     13.80570436    -10.22427111
  H     11.49578767     12.70052812    -14.74768828
  H      9.86561791     10.56258208    -13.34255834
  O     11.27660792     10.18218569     -9.96989953
  H     11.63121685      9.21488809    -13.10018203
  H     10.99555530     11.39795051    -12.68547536
  O     12.02613264     12.87524351    -12.94753457
  H     12.64141238      8.11160462    -12.67979903
  H     15.45488006     12.47988420     -9.08962116
  O     17.48588089     10.37275172    -11.50150800
  H     14.39393925      8.33619542     -8.24780326
  H     16.11920538     11.13971356     -8.57923243
  O     16.02416327      8.40121548    -12.83293175
  H     15.03050992      7.66669445     -9.47147440
  H     15.35776675     12.15239662    -13.03106842
  O     12.62404566     14.36175226    -10.62952344
  H     14.16833897     10.92639784    -11.52342246
  H     14.55342266     11.02574297    -13.77555685
  O     16.94274291     12.81758358    -12.44614193
  H     14.39949851     10.84984334     -9.97781695
  H      9.63827203      9.83782725    -15.42627950
  O     10.49674646     10.57031683    -12.61307346
  H     12.89421102      9.79810662     -7.30809191
  H      8.19631271     10.40004022    -15.37377012
  O     15.31751297     11.67552739     -8.56479114
  H     12.08032637      9.27706992     -8.49323205
  H     16.62055251      9.07611137     -8.62889155
  O     14.48902495     11.74458448    -13.13271895
  H     14.53308657     14.03026822    -10.48350477
  H     18.05374793      9.44113443     -8.17202994
  O      9.08077763     10.54157229    -15.04825435
  H     15.93000502     13.59980810    -11.02650592
  H     11.33117285     11.86153845     -9.12725315
  O     17.32791471      9.74072595     -8.71264568
  H     12.20021699     10.35035626    -10.21929206
  H     12.15289770     12.41214578     -7.95308645
  O     11.65320232     12.68247826     -8.73246140
  H     10.78007264     10.23608561    -10.79539836
  H     11.56497851      9.24523552    -16.42327526
  O     10.90067453      8.72809998    -15.95054936
  H     12.10994104     13.47184980    -12.19497978
  H     11.33044155      8.43121375    -15.13737570
          69
 Ord_Energy   -248.118912    
 O   -7.34617615      -5.70646095       7.75609684    
 H   -7.66381311      -5.05244446       8.39256096    
 H   -6.41443110      -5.50267124       7.61809587    
 O   -2.12158036      -3.02240062       3.31867456    
 H   -2.88441300      -3.52385759       2.98469353    
 H   -1.35677099      -3.33628559       2.84333420    
 O   -6.85773516      -3.03066778       5.65150595    
 H   -7.32900572      -2.48752880       6.29648256    
 H   -7.41723919      -3.79591680       5.45381832    
 O   -5.31255150      -2.98810077       9.36330032    
 H   -6.24690628      -3.17159510       9.51658344    
 H   -5.04971790      -3.54828167       8.62232971    
 O   -8.12964916      -3.07571340       1.68098092    
 H   -8.30134201      -2.55178976      0.901188672    
 H   -7.42802191      -2.61807585       2.17261362    
 O   -9.89397526      -3.32978940       3.91558361    
 H   -9.39443684      -3.29185319       3.09131670    
 H   -9.54118252      -4.08328199       4.40897131    
 O   -6.93808603      0.550380588       8.19762897    
 H   -6.10751867      0.273128152       8.60461140    
 H   -6.68915844       1.04580486       7.40699339    
 O   -4.83709764      -4.41167116       6.95277643    
 H   -4.00811005      -3.96052742       6.72587681    
 H   -5.53706837      -3.90655661       6.50992823    
 O   -4.80167866      -6.11433315       4.66456413    
 H   -4.73288727      -5.66418028       5.51392651    
 H   -4.59452009      -5.44928646       3.99516964    
 O   -7.09627438      -7.15655708       3.68863726    
 H   -6.24819565      -6.87413406       4.07842159    
 H   -7.12204885      -8.10820770       3.74188614    
 O   -3.77798986     -0.701491475       3.52281976    
 H   -3.72755957     -0.467079371       4.45938158    
 H   -3.08388329      -1.35540295       3.37385678    
 O   -7.80952930      0.275023371       4.17702150    
 H   -7.32262135     -0.440749854       3.75299883    
 H   -8.61866283     -0.115073830       4.52989483    
 O   -2.79216218      -2.84560013       6.10913229    
 H   -3.14486957      -1.94859111       6.16530275    
 H   -2.45345736      -2.94458675       5.21162319    
 O   -6.18481493      -1.91877091       3.27182698    
 H   -5.36114359      -1.40733087       3.30730057    
 H   -6.37251806      -2.27975750       4.15427971    
 O   -8.11420727      -3.51726484       9.40124416    
 H   -8.76419926      -3.42217255       10.0925646    
 H   -8.30860424      -2.83530378       8.73541641    
 O   -4.41864920     -0.460687578       9.06876564    
 H   -4.71240282      -1.37775385       9.21509552    
 H   -3.83977461     -0.239194423       9.79309368    
 O   -8.45172787      -5.28632259       5.27709484    
 H   -8.08167076      -5.95866013       4.69129372    
 H   -8.19167233      -5.52724504       6.17921066    
 O   -4.51207066      -4.16882849       2.60830522    
 H   -5.03649330      -3.39707875       2.85275674    
 H   -5.09780931      -4.71029186       2.05840492    
 O   -6.04645205       1.61985171       5.73145628    
 H   -6.69911098       1.18602121       5.15450954    
 H   -5.91085720       2.49684334       5.38258600    
 O   -10.0874357      -1.02430081       5.29511118    
 H   -10.9842062     -0.703005850       5.25572205    
 H   -10.0660143      -1.86311376       4.79922485    
 O   -6.58578539      -5.49982214       1.41887105    
 H   -6.86287165      -6.13014030       2.09626961    
 H   -7.23047972      -4.78204012       1.43621933    
 O   -8.42328835      -1.60896492       7.47386646    
 H   -7.94692326     -0.810357749       7.75123739    
 H   -9.08207512      -1.36147892       6.81414747    
 O   -3.97057033     -0.217591435       6.29800081    
 H   -4.65878868      0.423035473       6.07268476    
 H   -4.01782703     -0.303654850       7.25928450    
          69
 Energy    -248.11853085330625     
  O      2.73469888     -0.81013888     -2.87068339
  H      3.27599739     -1.56445283     -2.61194861
  H      3.01758978      1.63534541     -0.37375567
  O      0.06421194     -1.22303220     -3.39042451
  H      2.88575999     -0.12183680     -2.20596960
  H     -1.27313732     -1.81951429      1.88779495
  O      1.94017055     -3.60554037     -0.37113417
  H     -0.15226039     -0.60699892     -4.09931702
  H      0.21383752     -1.44551232      1.71732511
  O      2.54636684      3.29623094     -2.94300705
  H      1.01560559     -1.11999698     -3.22108997
  H      4.66751061     -2.12460125     -1.10449027
  O     -0.46553580      4.37713381     -0.78102114
  H      2.78419147     -3.48338538     -0.82371720
  H      5.07160659     -3.32028117     -2.00152462
  O      2.39599334      4.89253533     -0.59171484
  H      1.26016234     -3.75238151     -1.04507923
  H      2.79827127     -3.36425801      3.26852684
  O     -0.10460686      2.43795490     -2.81891827
  H      1.61450007      3.02686271     -2.93125125
  H      3.96327219     -3.55227782      4.25592191
  O      2.55954307      1.19706007     -4.88785274
  H      2.61803569      3.99676891     -2.28367964
  H      3.45904129      0.14370542      2.79418783
  O      1.37932522     -3.97696816      2.39448593
  H      0.42446095      4.74509202     -0.73789108
  H      3.71450208     -1.39942902      2.79261123
  O      2.23086929      2.62274502      0.99941890
  H     -0.48228568      3.84259516     -1.58677451
  H     -0.67252302      3.04407343      0.45078866
  O     -0.23502021      0.27388505     -1.04491097
  H      2.86919985      5.60839643     -0.17491279
  H     -0.61107344      1.50422035      0.27476245
  O      3.41031209      1.30434247     -1.19132506
  H      2.41965352      4.14419709      0.02776596
  H      1.72299584      1.36405197      3.60362851
  O     -0.45551680     -1.71118132      2.37030212
  H     -0.11602931      1.72263786     -2.16667443
  H      2.85066175      1.99761768      4.45599229
  O      4.31917186     -2.83414114     -1.67582164
  H     -0.27240871      2.02823861     -3.67548003
  H      4.76298556     -0.72276782      0.73481325
  O      3.56235367     -2.91693253      3.66967220
  H      2.73921371      1.99678712     -4.37719760
  H      4.69226304      0.05216475     -0.58673143
  O      3.71079878     -0.60285815      2.23918994
  H      2.77653662      0.45459716     -4.30826078
  H      0.84451917      1.03292557     -5.22151244
  O     -0.54598399      2.21213096      0.93045331
  H      0.66422406     -3.34152457      2.51505110
  H     -0.41536602      1.09450434     -6.12046095
  O      2.66146375      1.62991326      3.59742596
  H      1.56878725     -3.99413704      1.44632945
  H      2.29257893     -0.82730160      1.11757810
  O      5.08935109     -0.72684563     -0.17578591
  H      1.27600069      2.46853449      0.96561411
  H      1.68430278     -1.92574320      0.19842682
  O     -0.12474894      0.92892555     -5.22795586
  H      2.51468505      2.38118207      1.88879558
  H     -0.28683968      1.42688665      2.61017978
  O      1.53080497     -1.04285670      0.56444220
  H      0.45965951     -0.12436716     -0.49812007
  H     -0.17757043      0.01112569      3.21692318
  O      0.06444569      0.93263261      3.36420433
  H     -0.32570236     -0.30052866     -1.81513969
  H     -0.08849701     -2.91519202     -2.75952194
  O     -0.02263429     -3.76677090     -2.30011470
  H      3.25621919      1.99134440     -1.85241611
  H     -0.57922473     -4.37298316     -2.78241121
          69
 Energy    -248.11848502528457     
  O     12.58484015      2.60266082     -9.51577851
  H     12.08819281      1.81949132     -9.74117130
  H     17.64056575      4.62758696    -14.23666699
  O     17.64383413      4.87079424    -10.48765609
  H     12.21515944      3.31973264    -10.05294374
  H     10.76151416      6.69977250    -13.34605818
  O     14.68444337      8.55545521    -12.88330793
  H     16.89226630      4.37266131    -10.14594644
  H     11.75611849      7.70030635    -13.93405216
  O     15.05443200      7.49801977    -17.23106197
  H     17.68783732      4.68826364    -11.43600228
  H     14.27085567      6.30475606    -10.68348411
  O     18.11247209      7.54085045    -10.44254183
  H     14.46916734      9.27541425    -12.27996695
  H     14.45112117      5.46348009    -11.98789771
  O     14.40054510      6.13057901     -8.84215167
  H     14.40785779      7.73967107    -12.43094471
  H     14.34760146      3.11542251     -9.61809347
  O     13.31834530      7.53151725    -15.02300470
  H     15.92289953      7.53707533    -16.79123857
  H     15.08146817      3.58529939    -10.87748779
  O     15.05897108      4.67577515    -16.73124078
  H     15.12654495      8.01197471    -18.03060826
  H     14.61106145      9.63205667    -10.17398735
  O     11.57989162      6.62111736     -8.76228763
  H     18.96896012      7.70361947    -10.05556559
  H     14.07360485     11.06543934    -10.40855669
  O     17.44963730      7.36367954    -15.95795273
  H     17.95401346      6.58193643    -10.37387151
  H     11.42381568      8.25519331    -11.55309779
  O     17.68672466      4.49559830    -16.07523050
  H     14.63286554      5.21382271     -9.04254321
  H     12.37028582      9.14024501    -10.69430157
  O     17.44030044      4.85389634    -13.32009769
  H     13.45010154      6.18157307     -8.67686105
  H     16.39625015      8.02445993    -13.09170801
  O     11.08366984      7.60176898    -13.24814391
  H     13.82154514      7.60872458    -15.84222842
  H     17.66727059      7.72227322    -12.26381714
  O     14.03647118      6.25487863    -11.61936673
  H     13.82984380      7.98934481    -14.33906176
  H     15.27673857      7.74345404     -9.01044799
  O     15.13098901      3.60123626     -9.91028280
  H     14.35192606      4.54412630    -16.08724769
  H     16.53976463      8.29007357     -9.70283638
  O     13.99586276     10.16506026    -10.71095339
  H     14.97347505      5.58914649    -17.03342978
  H     14.32534959      4.06009354    -13.42378360
  O     11.62983826      8.52565187    -10.64653411
  H     11.57688977      7.35545771     -9.40667693
  H     15.82762739      4.14333819    -13.00185008
  O     17.28533958      7.64529915    -13.14667496
  H     11.01457600      6.88118598     -8.04104535
  H     12.44378114      5.35827784    -11.27967736
  O     15.68443925      8.55431995     -9.34382829
  H     17.49869110      7.57565995    -15.01663476
  H     11.42821873      5.38979229    -10.13214415
  O     14.94370830      3.88606293    -12.70095695
  H     17.69365125      6.43316499    -16.03675292
  H     10.85746209      4.69513578    -12.48759637
  O     11.67990398      4.88547510    -10.91718301
  H     18.14480950      3.90992829    -16.67147017
  H      9.71683033      4.29821610    -13.45501153
  O     10.57310500      4.71654362    -13.41698075
  H     16.74505460      4.47346820    -16.32482355
  H     12.23371005      4.61035617    -14.35080006
  O     13.13881786      4.76386291    -14.64478098
  H     17.36581161      5.81875290    -13.28304064
  H     13.22646013      5.72508068    -14.73557570
          69
 Energy    -248.11846858924727     
  O     16.29420854     11.63259035    -12.89733641
  H     16.89062169     10.96724468    -12.53610100
  H     13.06563327      7.25359951    -13.99059589
  O     17.11209830      8.68991315     -7.80028137
  H     16.12360360     12.25214637    -12.17597107
  H     13.17316179     11.91736805     -9.29749675
  O     15.96823494      5.77064357    -10.96970600
  H     17.52554702      8.10241001     -8.44217422
  H     12.93857760     12.10101317    -10.80395853
  O     12.36598468      4.96113190     -9.95959600
  H     16.84396801      9.47707187     -8.29716969
  H     14.11338109      9.22898623    -14.93404081
  O     14.63455601      8.26639705     -6.79315821
  H     15.39246931      5.17920771    -11.46948136
  H     14.95064510      8.05974425    -14.40629255
  O     17.55789728      9.53385763    -11.38847858
  H     15.40458516      6.15780389    -10.28070497
  H     18.98281946      6.56581512     -9.95548022
  O     15.75469595     13.21851271    -10.58587845
  H     12.79150320      4.63070897    -10.75758831
  H     17.48762654      6.55258087    -10.33453391
  O     11.03909740      9.14775892     -9.47985820
  H     12.98976281      5.59794193     -9.57999113
  H     13.95991490      7.61809269     -9.86670818
  O     15.97836871     10.66702742     -9.41296805
  H     14.62568698      8.02310981     -5.87182001
  H     14.28548412      7.33225118     -8.36198540
  O     13.79862525      8.57893994    -11.37465854
  H     15.56768070      8.38775265     -7.04603974
  H     13.00589896     11.05155257    -13.06076504
  O     10.11074488      6.45060842     -9.86673950
  H     16.96034139      9.91266712    -10.72491323
  H     11.67876988     10.71002314    -12.28402628
  O     12.65434959      6.82614505    -13.22445490
  H     17.98025570      8.78273450    -10.95528969
  H     10.83477529      7.10070507    -12.91035692
  O     13.20971478     12.57507974    -10.00373398
  H     15.98557662     14.10448506    -10.32174199
  H      9.93995544      6.99147745    -11.65755380
  O     14.19261629      8.26890639    -14.97216146
  H     14.80845076     13.09809397    -10.38260803
  H      9.13452545     10.41434640    -12.20951099
  O     18.20144149      7.11298774     -9.99006925
  H     10.66004924      9.56046268    -10.26367136
  H      9.95122898      9.10369164    -12.31193062
  O     14.17586391      6.92193694     -9.22581625
  H     10.75286598      8.22722518     -9.51369151
  H     12.54502067      9.82474726     -8.78238015
  O     12.60382293     10.97406851    -12.18662528
  H     16.01034119     11.58717828     -9.70128346
  H     13.67458964      9.64960728     -7.72967089
  O      9.98867043      7.38412587    -12.53918976
  H     15.05446987     10.47547188     -9.20158899
  H     13.41572645      5.28434687    -12.75878661
  O     10.00177175     10.04505427    -12.06799059
  H     13.40548318      9.44105332    -11.55831467
  H     13.77978163      3.80964788    -13.04063426
  O     13.35886473     10.22338254     -8.43612437
  H     14.57095357      8.47577420    -11.94535766
  H     14.17910845     11.74000658    -15.23572954
  O     13.86382706      4.50299842    -12.39105486
  H      9.45670608      6.01159098     -9.32939404
  H     14.95899339     11.29503290    -13.97825026
  O     14.16185311     11.12062924    -14.51051275
  H     10.88588201      5.86286498     -9.89731882
  H     16.06293523      7.04225675    -12.36553704
  O     16.04659708      7.82501788    -12.93040565
  H     12.89361482      7.38282250    -12.46947643
  H     16.64585517      8.46554720    -12.52336314
          69
 Energy    -248.11835942063828     
  O      1.17328682     -2.60939453      4.04083081
  H      1.69978102     -1.81922244      3.85967171
  H      1.35292971     -0.23610403      2.08244627
  O     -3.15098651     -1.94039424      7.89145482
  H      0.34941547     -2.51335430      3.54475390
  H     -0.56003044      3.08303136      1.31617200
  O      0.38137644     -0.48762486      9.73730535
  H     -2.40524732     -2.54607468      8.01226854
  H     -1.53249275      2.01860601      1.87688769
  O     -0.84739588     -5.56279190      6.11250982
  H     -2.85912822     -1.09048192      8.23864249
  H      0.11549137      2.09776055      3.58524596
  O     -1.19408588     -2.02286636      2.69179851
  H      1.05075236     -0.09891434      9.15693656
  H     -0.23408634      1.50395271      4.98426980
  O     -2.26171515     -4.07743302      4.34273670
  H      0.64974620     -1.40828468      9.83588414
  H     -3.66998059      0.90363460      1.22354550
  O      1.87184686     -4.78572895      5.62026549
  H     -1.34004851     -5.06479407      5.43527032
  H     -3.20015344      0.72343540      2.67602715
  O      3.99030202     -0.77773025      6.06329852
  H     -1.16365808     -6.46136583      6.07515494
  H      1.67876761      3.77733722      6.78391684
  O      3.08420477     -3.20352021      7.51367206
  H     -0.62972986     -1.45952684      2.14130049
  H      1.35338546      2.63500973      5.80397373
  O      1.38193160     -3.18245675      9.60929780
  H     -1.81184101     -1.43232331      3.14149384
  H     -0.15964793     -2.13949633      6.94817929
  O     -3.05509608     -0.36863800      4.07559763
  H     -1.89108476     -3.51161395      3.65446843
  H      0.57094478     -1.89823817      5.59770687
  O      0.58531453     -0.25955007      1.49821545
  H     -2.99222195     -3.58076479      4.73117562
  H     -5.19371898     -2.69664148      5.64269209
  O     -0.61136446      2.33066207      1.89995894
  H      1.71198830     -4.10062537      4.95481788
  H     -3.91319698     -2.24073458      6.38312280
  O      0.48697571      1.85697747      4.44233088
  H      1.00756280     -5.17554131      5.79143079
  H      1.90507091      1.19853590      7.34581011
  O     -3.13310064      1.30623107      1.90204324
  H      3.39335793     -0.34992376      6.70151800
  H      1.37610215     -0.28301345      7.18561142
  O      1.77647056      2.83797143      6.65391958
  H      4.87543698     -0.49898303      6.28678911
  H     -1.15950155      0.14913871      9.18172979
  O      0.21203737     -1.45623079      6.37711822
  H      3.45937757     -2.48333007      7.00022182
  H     -2.35119349      1.07778419      9.49677433
  O     -4.29122122     -2.42348130      5.50317275
  H      2.72049643     -3.83255788      6.87042886
  H     -0.82406718     -4.27823719      7.42707951
  O      2.02844504      0.28088362      7.63005299
  H      2.03067708     -3.15534346      8.88166673
  H     -0.12246130     -3.52383224      8.61070464
  O     -1.98567552      0.51549241      8.81894485
  H      1.78264632     -3.68651074     10.31202616
  H      1.80846584      0.55193328      4.05999805
  O     -0.86145614     -3.49335228      7.98944784
  H     -3.59161381     -1.04776883      4.50324013
  H      3.04909591     -0.29314352      4.46681128
  O      2.41409949     -0.13816823      3.75606138
  H     -2.54331362      0.05923572      4.77701441
  H     -0.88134814     -0.14556180      6.09500092
  O     -1.42684716      0.65803684      6.04969306
  H      0.22447101      0.63481895      1.50877112
  H     -1.70210692      0.82316181      6.95818422
          69
 Energy    -248.11810618613657     
  O     12.49708446     13.06351712    -12.21191986
  H     13.04505747     13.01960643    -11.41900929
  H     12.35091350     10.11422066    -14.35602447
  O     20.14130554      7.14076622    -12.25105354
  H     12.10895591     12.18627922    -12.32147795
  H     15.31589150     10.11299197    -13.82377766
  O     17.78980033     11.08804318    -11.83652529
  H     20.41277332      7.71044907    -12.99303643
  H     15.11043375     11.64587479    -13.56748542
  O     16.01126863      7.03166757    -12.86032143
  H     20.93955534      6.79299358    -11.86299393
  H     13.06584971     12.40441206    -17.31522215
  O     18.29250912      5.90700010    -14.08078392
  H     17.66319656     11.88939933    -11.31966470
  H     13.27943147     11.38026400    -16.17477136
  O     14.41515367     13.24695108    -14.15328698
  H     16.97200579     10.98133835    -12.35165692
  H     16.05820425      7.80687108    -10.34007949
  O     17.48535645      9.45205049    -16.05771992
  H     16.73032795      7.55799031    -12.47681127
  H     14.66195541      8.43303726    -10.40632019
  O     17.81867390      8.36393142    -11.23265325
  H     15.41241922      6.92580082    -12.11119500
  H     20.25983524      9.52756786    -14.39146748
  O     16.51654189     11.96256774    -16.90476885
  H     18.92496333      6.16578705    -13.39879743
  H     20.29491323      8.19645773    -15.17327935
  O     19.10307679      7.19033188    -16.32736604
  H     17.41827501      6.10489192    -13.72097672
  H     15.94539766     14.02525358    -13.63391485
  O     18.36931264     13.37891987    -15.53431334
  H     14.09480827     13.00839692    -15.03087041
  H     17.43485469     14.03355517    -14.01802461
  O     12.72287697     10.03796309    -15.24177437
  H     13.66050140     13.28061772    -13.54663438
  H     17.49339021     14.18994080    -10.25553584
  O     15.45347830     10.82676037    -13.18838152
  H     18.00497906      9.94577893    -15.40741249
  H     16.90221685     13.86829397    -11.64882959
  O     13.66983573     12.15304488    -16.62187062
  H     18.00995650      8.67681972    -16.29375607
  H     15.23587498     13.05946220    -10.21662636
  O     15.11846718      7.58939904    -10.29302191
  H     17.89730217      9.31999981    -11.34657295
  H     14.16454794     13.18624550     -9.11474811
  O     20.69173306      8.66291910    -14.42759510
  H     18.67179395      7.97409787    -11.46203037
  H     18.97197563     11.82415430    -14.70750197
  O     16.82647777     14.25870628    -13.30542029
  H     15.55387720     11.99756865    -16.87206311
  H     18.73684293     11.02751260    -13.39739691
  O     16.92629922     13.57778142    -10.71709836
  H     16.77120105     11.03911658    -16.77687962
  H     11.01320258      9.79252416    -12.20304885
  O     14.34282397     12.78091619     -9.96062722
  H     19.33130918      6.56891148    -17.01299095
  H     12.49307401     10.12912063    -11.91777486
  O     19.08975399     10.95941857    -14.29488083
  H     18.77882718      6.66911928    -15.57039717
  H     14.54987645     10.30860071    -11.73638429
  O     11.75558486     10.29732550    -12.52710144
  H     18.85971169     13.92797286    -16.14035391
  H     14.08984679     10.95050403    -10.41986408
  O     14.01225246     10.14563114    -10.94540416
  H     17.67407355     12.93794810    -16.05645773
  H     15.90950872      8.87092519    -15.39403305
  O     15.10960859      8.66314555    -14.89090657
  H     13.46937031      9.42459566    -15.17691036
  H     15.35134694      7.99791223    -14.23098835
          69
 Energy    -248.11780815817639     
  O     13.84623180      7.40515482     -8.03856783
  H     13.01909357      7.08818729     -8.44359586
  H     11.61990740      7.45681611    -15.25122774
  O     13.50327598      5.02699296    -15.53635015
  H     13.70207534      7.42431546     -7.09630742
  H     16.13788745      8.33854610    -12.67618815
  O     16.93143303      6.19674363    -14.83669213
  H     14.00493664      5.80060590    -15.82903586
  H     14.78597141      7.86835256    -13.25748051
  O      9.92750721      6.11318035    -12.47313893
  H     14.09038574      4.52241422    -14.96354659
  H     13.47555296      6.36440901    -12.20197123
  O     17.98104059      4.61720321    -10.10121373
  H     16.63036690      6.90685947    -14.25013862
  H     12.63823904      6.97350047    -13.37167790
  O     11.24855279      4.25094432    -11.03151939
  H     16.52248277      6.39208934    -15.68455118
  H     11.49015748      5.69600153     -9.73401308
  O     16.85248272      8.07177639    -11.04259288
  H     10.32456321      6.29632077    -13.33608427
  H     11.05236251      7.17310674     -9.70506906
  O     13.58738909     10.29488296    -13.99719559
  H      9.92170308      6.94735070    -11.98839920
  H     18.48836416      5.55064216    -14.04341709
  O     17.70048031      2.98033438    -12.24820238
  H     18.55596411      5.35087575    -10.34853573
  H     18.76362168      4.36181295    -13.10774049
  O     14.76427786      7.51368996    -16.18978220
  H     17.15010191      5.02391486     -9.81782055
  H     14.38029509      4.40619136    -12.26586678
  O     12.34188584      9.01214864    -16.06185508
  H     10.73678546      4.86456748    -11.58955359
  H     13.04748502      4.41242681    -11.40158827
  O     11.46162875      6.65797675    -14.73374012
  H     10.69069622      3.49461703    -10.87208910
  H     16.18939924      3.52677516    -13.20460422
  O     15.63590032      8.27093140    -13.50075955
  H     17.77779848      7.80373532    -11.09874073
  H     15.97775432      4.77501059    -14.06944915
  O     13.27878846      7.17946183    -12.67925981
  H     16.39428070      7.34273776    -10.59794437
  H     20.29910077      7.12693329    -11.15383997
  O     11.58761775      6.51769838     -9.24073708
  H     14.45023974      9.88838687    -13.86098551
  H     19.36725168      6.30269292    -12.07232715
  O     19.13324013      5.19818937    -13.41581011
  H     13.15132080     10.24599458    -13.13561987
  H     10.98764267      8.94714922    -11.03225950
  O     13.93668449      4.77832433    -11.49118187
  H     17.77569638      3.50518950    -11.43072058
  H      9.52351019      9.08911197    -10.55625262
  O     15.50591757      4.03868581    -13.65760270
  H     18.03399981      2.11000413    -12.04727009
  H     15.05087141      6.41293776     -9.01570029
  O     19.39321531      6.85248350    -11.26902056
  H     15.10684960      7.88724499    -15.36770573
  H     14.99680264      5.50604458    -10.27836368
  O     10.18200762      8.44864603    -10.81286913
  H     13.95498052      8.00989537    -16.36525073
  H     14.45928379      8.89167398     -9.07951953
  O     15.59633802      5.98024609     -9.68318026
  H     12.73269381      9.53930243    -15.34258587
  H     15.54051088      9.22650880    -10.12693132
  O     14.72546899      9.55480996     -9.72956470
  H     11.93685455      9.62848652    -16.66632783
  H     12.80955010      8.67639373    -11.87047387
  O     12.59746305      9.53343535    -11.46574328
  H     12.05596969      5.96980615    -15.07332994
  H     13.29984803      9.69659057    -10.81957293
          69
 Energy    -248.11773355082374     
  O     13.66000643     13.60967771     -9.40711046
  H     13.72359430     12.66131900     -9.19264986
  H     13.37639341     13.45223844    -17.58356886
  O     16.50493095      9.11389412    -11.21246004
  H     13.24026182     14.03263953     -8.66274966
  H     18.56172172     13.42181753    -14.53529801
  O     14.84427500     15.71111228    -12.99988696
  H     15.54629039      9.25010246    -11.25812128
  H     18.51748766     12.33878025    -13.44209905
  O     13.63159098     10.59935855    -15.47125400
  H     16.80155961      9.63037779    -10.45387430
  H     15.06147137     10.87711361     -8.79598619
  O     15.89871281      6.77146416    -12.66363700
  H     15.71960252     15.66017430    -12.60072907
  H     13.86102124     10.37855751     -9.61688980
  O     15.91128041      7.02325710    -15.35966949
  H     14.96105321     15.32133986    -13.87680202
  H     15.70576646     12.06417500    -17.61828215
  O     15.50480023     12.34256527    -12.94347902
  H     13.57520713     11.30751432    -16.12352337
  H     16.57933325     10.98562228    -16.95049854
  O     13.71919707      9.42860890    -11.18182724
  H     14.56296960     10.33387659    -15.44861511
  H     14.04745586      7.50834431    -15.24781506
  O     16.31678658      9.77301596    -15.60321844
  H     14.95679912      6.71934719    -12.45717998
  H     13.16605146      8.77305946    -15.19849797
  O     18.01021566     13.72943439    -16.31076394
  H     16.25321498      7.48316559    -12.11475781
  H     16.82124414     11.82370141     -9.60193456
  O     12.89492510     11.37703753    -12.89848150
  H     15.98436988      6.89740521    -14.39612015
  H     17.68937088     11.14513819     -8.51758192
  O     13.95278936     12.83573013    -17.13992278
  H     16.29195123      6.25161076    -15.76965382
  H     17.97030173     14.51926469    -12.55642403
  O     18.67912058     13.27937207    -13.58736579
  H     14.61248735     11.97898161    -12.88917511
  H     18.19614580     15.87105063    -11.84252761
  O     14.10887081     10.98109854     -8.90122687
  H     15.71792320     12.70166881    -12.07380673
  H     17.40430589     10.01395917    -12.60212073
  O     16.61562090     11.75599981    -17.53597797
  H     13.40059153      8.57343044    -11.49352951
  H     16.84924145     11.28701019    -13.23858109
  O     13.18333385      7.83585932    -14.96772850
  H     13.35608432     10.10196018    -11.77718040
  H     12.93979148     13.89398590    -11.16985100
  O     16.99239874     10.98093359     -9.14758497
  H     16.25544832      8.80969616    -15.60225405
  H     13.41085821     14.64134665    -12.42702992
  O     17.55057145     15.18280981    -11.97990689
  H     16.85254823     10.02806113    -14.83957275
  H     12.34680397      6.35895429    -12.27582374
  O     17.58613895     10.65540097    -13.30005380
  H     18.51363469     14.22541672    -16.95078849
  H     13.00749769      7.29656483    -13.31545059
  O     12.76476189     13.99371042    -12.11333400
  H     17.59897826     12.98944236    -16.79261317
  H     15.40236215     13.60715557    -10.05961121
  O     13.04939565      6.99271224    -12.39061456
  H     12.98689236     11.19230459    -13.84290742
  H     16.71185396     14.06730676    -10.81082290
  O     16.26134921     13.31895220    -10.39772170
  H     12.69049902     12.31350438    -12.74872531
  H     15.47937293     13.44323629    -14.39049213
  O     15.43931331     14.02303503    -15.16683496
  H     14.40413445     13.33051164    -16.43357263
  H     16.33026401     14.05673319    -15.53647547
          69
 Energy    -248.11768804275334     
  O     -3.71933856      1.43389311      0.89426512
  H     -4.16279273      2.23038984      0.61609226
  H     -0.94450933     -5.35115509     -0.38580344
  O     -2.50853843     -0.94953987      7.49197975
  H     -2.76528593      1.57942392      0.75638468
  H     -0.79299496     -1.20238003      2.50548880
  O      0.21998697      2.00172500      2.98251679
  H     -2.25150223     -1.03563150      8.40665076
  H     -0.46930414     -1.31052040      0.98171586
  O     -3.85911524     -0.05192105      3.27253078
  H     -1.83322871     -1.41966471      6.97914878
  H     -2.03235841     -4.69779580      1.36052162
  O      1.66691518     -3.35743681      4.94053600
  H     -0.23362731      1.25725788      3.41003701
  H     -1.69886263     -3.23032601      1.79262418
  O     -0.81003543     -2.26568166      5.72564517
  H      0.40091049      2.63141260      3.67574656
  H      0.86549633     -2.78344617      2.07912573
  O     -0.04552204     -5.73278303      4.73392812
  H     -3.87367473      0.56753291      2.53235792
  H      1.43644429     -4.24672856      2.08833481
  O     -5.20645007     -3.48422701      4.87475002
  H     -4.12181175     -0.91139091      2.91292695
  H     -3.85699387     -3.09198257      2.05673155
  O     -1.07523096      1.74145466      0.53992657
  H      1.76889089     -3.29688024      3.97731637
  H     -5.01475598     -2.90449070      3.05606755
  O      0.86482488     -5.88655535      2.10287957
  H      2.54845022     -3.37584691      5.30555418
  H      2.03178732     -2.86028290      0.41978087
  O     -0.33531585     -4.07214481     -1.36957612
  H     -1.41573446     -2.94426538      5.39028934
  H      2.90117380     -2.71299860     -0.84744239
  O     -1.31036351     -5.98256108      0.26027541
  H      0.08610407     -2.57745589      5.55256539
  H     -1.05167019     -0.83446648      4.62431887
  O     -0.60784070     -1.82188975      1.78750718
  H     -0.93174973     -5.36051629      4.82485264
  H     -2.13782784     -0.09404669      3.77541593
  O     -2.31830537     -3.96471503      1.91691425
  H      0.56026747     -5.01604386      4.95515332
  H     -0.67030278     -0.96592845     -1.18976938
  O      1.67891546     -3.30651651      2.14986204
  H     -5.96706495     -3.87566309      5.29471385
  H      0.79757582     -1.14286527     -0.70254155
  O     -4.63905067     -2.54887527      2.24199384
  H     -5.08649291     -2.60227692      5.27341697
  H     -2.78561206     -1.69375474     -1.29707287
  O      2.01168526     -2.60959489     -0.51817767
  H     -0.56613084      1.92224185      1.34279951
  H     -2.44370343     -1.76559584     -2.80203499
  O     -1.18575718     -0.17699349      3.93012972
  H     -0.60023231      1.05182634      0.06065758
  H     -4.00718638     -0.91398092      6.43961404
  O      0.02437323     -0.56800509     -0.64636863
  H      0.50955512     -5.99161345      2.99802186
  H     -4.48170309     -0.48573943      5.02427247
  O     -2.07712852     -1.90213480     -1.93213951
  H      0.13982876     -6.06233859      1.49289275
  H     -3.40184075     -4.06972592      4.84978805
  O     -4.72771835     -1.00439688      5.80038241
  H      0.49374602     -3.63435785     -1.14603890
  H     -2.37355161     -4.19029176      3.70339339
  O     -2.46632471     -4.21570279      4.66753086
  H     -0.96636553     -3.37446242     -1.58841574
  H     -3.94873713     -0.27106095      0.12555711
  O     -3.99840495     -1.18685027     -0.17675547
  H     -1.67027132     -6.71236619     -0.23570533
  H     -4.36634869     -1.69114691      0.55846122
          69
 Energy    -248.11746658764804     
  O     19.69573538      9.85771087     -7.43985400
  H     19.93171730     10.37829331     -6.67609357
  H     21.50571190      9.36883414     -9.66496634
  O     17.36192930      5.30342385    -10.07055188
  H     20.31925717     10.09926343     -8.14754263
  H     16.72322748      9.68233854    -12.72309370
  O     16.99655154      6.31195724    -13.42261625
  H     16.56766033      5.20590385    -10.60959516
  H     15.72438713      9.48373051    -13.88526348
  O     20.55124676      8.05307407    -12.61433210
  H     17.74594287      6.17037191    -10.27905189
  H     19.75898776      5.00222290    -14.15423193
  O     15.04886975      5.31569792    -11.60718784
  H     16.31425993      5.83174415    -12.93674120
  H     18.64828892      5.77646888    -13.41048467
  O     21.19404432      5.26026815     -8.49798615
  H     16.74487380      7.24273568    -13.38538670
  H     12.85012533      7.43678391    -10.47619011
  O     14.10742681      5.28917372     -7.39557674
  H     21.00945703      7.82707890    -11.79082828
  H     12.33704078      6.07498089     -9.97355724
  O     21.26549261      7.58629435     -9.97224348
  H     20.28746956      7.21389091    -13.01236744
  H     14.55086491      8.40433070     -8.01863226
  O     18.52060026      7.76703663    -10.54552747
  H     14.40410307      4.82329782    -11.08469863
  H     15.91528080      7.67155977     -8.10168165
  O     19.33367640      6.98855199     -7.00480300
  H     14.85619305      6.25183016    -11.44256581
  H     15.06191334      8.44425079    -11.73889796
  O     17.52639076     10.02358875     -9.20902443
  H     20.75028438      4.87583460     -9.27587090
  H     14.93283304      8.19188643    -10.19827220
  O     21.33756840     10.31628295     -9.54848214
  H     21.68412866      4.55440205     -8.08580300
  H     20.57796991      9.82853336    -12.53525807
  O     16.13283323      9.03578270    -13.14830688
  H     13.64513976      6.12219204     -7.24467910
  H     21.07454514     11.23162941    -12.95245224
  O     19.59433052      5.54402046    -13.38661869
  H     15.04901040      5.49161489     -7.30852183
  H     17.62367369      6.45475602     -7.20333382
  O     12.14916199      7.02166351     -9.95435186
  H     21.48887864      6.80150201     -9.45908245
  H     16.94541142      5.74644884     -8.39423738
  O     15.42501931      8.44243867     -8.42495503
  H     20.29606498      7.60713912     -9.99683812
  H     12.12220589      8.28897474     -6.98625070
  O     14.55012707      7.98592828    -11.06214297
  H     18.17134677      8.56698027    -10.13199508
  H     12.48299846      7.61822476     -8.33421952
  O     20.54470296     10.77308025    -12.30488800
  H     18.88094864      8.01171267    -11.40425765
  H     18.68628227     10.90123653    -12.03392916
  O     16.76262465      6.17729587     -7.54590017
  H     19.55523335      7.91305182     -7.16374520
  H     17.63671840     10.69054271    -10.91418088
  O     12.83801573      7.88246315     -7.46638092
  H     19.99640033      6.45192832     -7.45415452
  H     18.95470829      4.51884913    -10.44012345
  O     17.74362356     10.77958001    -11.87180712
  H     18.19861515     10.03899568     -8.51590867
  H     19.91994207      4.71024573    -11.61277531
  O     19.87490549      4.37890256    -10.70990899
  H     16.73850756      9.59153963     -8.84890060
  H     12.71213101      3.50240141     -9.61703400
  O     13.16535863      4.32854802     -9.76174592
  H     21.08867736     10.64099078    -10.42048373
  H     13.53169468      4.60011088     -8.90080881
          69
 Energy    -248.11744256097717     
  O     16.04046905      5.11062656     -8.83930532
  H     16.59386699      4.56324067     -8.28741947
  H     16.59742194      9.77711714    -12.64884489
  O     15.01984663      7.86413844    -16.45285731
  H     16.60461580      5.43606211     -9.55968784
  H     13.73529076      7.83390429    -11.47725553
  O     17.47674301      9.06818987    -14.07740167
  H     15.71141552      7.28598342    -16.10757569
  H     14.82924112      8.71162511    -12.16598088
  O     13.87977637     11.71811259    -12.09742650
  H     15.39327706      8.75430252    -16.44365384
  H     14.28786665      4.76470516     -9.51033260
  O     11.46826168      5.98503446    -13.21952321
  H     17.31437690      8.16349845    -14.37676408
  H     13.35975626      4.41211327    -10.70618694
  O     13.20268291      4.00798264    -12.56619739
  H     17.13558753      9.63918690    -14.77841450
  H     19.58020356      8.31136208    -11.56375105
  O     17.00995464      8.68018967     -9.73979579
  H     14.67635414     11.17305893    -11.98195561
  H     18.82062944      8.28769893    -12.90613291
  O     11.38551662     10.30838354    -12.41998228
  H     13.98506702     12.47827290    -11.53032267
  H     15.01789291      6.46914715    -12.70049717
  O     13.95437732     11.55888782    -14.93889616
  H     11.87503699      6.55611627    -13.88551722
  H     14.76878004      4.94783930    -12.84373103
  O     11.50953418     10.14949728    -15.24455668
  H     11.05612023      6.58053325    -12.58258943
  H     15.36922930     10.90448559    -15.68658035
  O     12.88515659      7.86911817    -14.73378189
  H     12.54051831      4.68507497    -12.79776046
  H     16.45371775     11.08409006    -16.77422548
  O     16.03344756     10.05185134    -11.91278731
  H     12.87036988      3.17694879    -12.89408675
  H     16.45355889      6.04937119    -14.29342047
  O     14.21727650      7.97950518    -12.30320456
  H     17.15117248      7.83819289    -10.19461190
  H     17.76689724      5.86753351    -15.09096907
  O     13.37471767      4.79842563     -9.82248429
  H     16.31076366      8.51533077     -9.09134772
  H     20.15794716      9.54310506     -9.25183781
  O     19.26805136      7.72216157    -12.26605745
  H     11.30630118     10.34555405    -13.38161258
  H     18.75693679      9.24413151     -9.80645680
  O     15.45191483      5.62546417    -12.90595489
  H     12.20930072     10.76179116    -12.20676343
  H     10.76995247      8.83020074    -11.74426245
  O     16.14743973     10.48672371    -16.09715735
  H     13.09926768     11.16328486    -15.14829531
  H      9.56831688      8.11199243    -11.08639985
  O     17.00264739      6.43134258    -14.99837448
  H     13.94140667     11.72287679    -13.98824042
  H     16.75537171      5.91204213    -11.66133899
  O     19.68047862      9.39411870    -10.06411067
  H     10.88108480     10.03183549    -15.95138695
  H     18.14435225      6.59052426    -11.45714884
  O     10.46161056      7.97625523    -11.39105232
  H     11.95299491      9.29189117    -15.11361023
  H     15.27762157      6.84034910     -8.21754577
  O     17.40411613      6.17071022    -10.99303293
  H     13.31633534      7.98791549    -13.87433180
  H     14.16333746      7.78303356     -8.69997246
  O     14.97807959      7.75668411     -8.17919546
  H     13.58576500      7.80023805    -15.39847089
  H     11.93632845      7.63769744    -10.30677242
  O     12.82278058      7.46586226     -9.96925955
  H     16.40571151      9.68015464    -11.10056453
  H     12.92249967      6.50325082     -9.88532247
          69
 Energy    -248.11741849837355     
  O     14.31704902      8.58601181    -10.44385398
  H     15.05860933      8.70048040     -9.82612533
  H     13.87450290      6.83853972    -17.38681546
  O     16.50299163      5.33575616    -13.28216642
  H     14.09063546      9.45597553    -10.79120236
  H     18.13351049      8.71620340    -14.89012050
  O     13.88401114     10.97815576    -11.86057182
  H     15.61378575      4.98702719    -13.14135438
  H     18.19646302      7.24136366    -15.33445083
  O     16.70196172     11.61622379    -12.39473450
  H     16.65919219      5.40771943    -14.23206287
  H     15.47222005      9.83124138    -15.77187315
  O     10.80719834      7.00968419    -16.08829281
  H     13.30541379     11.72069588    -11.70269922
  H     14.72566547      8.66320714    -16.46812211
  O     16.96842137      5.80669776     -9.05901056
  H     13.54084530     10.51816242    -12.64479063
  H     16.12805919      7.09309687    -12.80434447
  O     13.00676469      6.73818302    -14.36346997
  H     17.23767701     10.99435512    -11.88318152
  H     15.31648755      8.10862585    -11.92689115
  O     12.95131532      9.58952886    -14.05889868
  H     15.78648602     11.45658020    -12.13603956
  H     15.22251860      5.73273479     -9.77338688
  O     12.32598490      9.85898910    -17.76594243
  H     11.23719218      6.94352872    -16.94945079
  H     14.17523724      6.77619710    -10.21439340
  O     16.99846774      5.85614813    -16.00650538
  H     11.48466070      6.77649911    -15.43777544
  H     19.04773541      6.32982921    -11.67107403
  O     16.73220242      9.88241740    -14.53136300
  H     17.54838073      5.74732489     -9.83923644
  H     17.83939340      5.43506797    -12.02235605
  O     14.51929268      6.80413125    -16.66899949
  H     17.34934378      5.24296554     -8.39109752
  H     13.99915677      5.09706510    -11.69472675
  O     18.71187819      7.94113874    -14.91988427
  H     13.06574893      7.63326550    -14.00712068
  H     13.36878458      3.91919982    -12.48012315
  O     14.67110462      9.60649239    -16.26737423
  H     13.25175449      6.10497138    -13.67823121
  H     17.31032872      8.86275831    -11.73567647
  O     15.92635440      8.02664447    -12.67130227
  H     13.57920374      9.65920432    -14.79255761
  H     18.83203614      8.93334841    -11.58825594
  O     14.36809544      5.82804815    -10.21230381
  H     12.07092985      9.68733996    -14.44452782
  H     19.58234566      7.79743122    -13.40713003
  O     18.45698713      5.65759015    -11.31214762
  H     13.18332217      9.96750470    -17.32943533
  H     20.93580308      7.82612850    -12.66156215
  O     13.84347287      4.73859093    -12.58883381
  H     11.66322249      9.96110755    -17.07265490
  H     16.78139093      7.69696573     -8.86427885
  O     18.01628316      9.34111159    -11.27657968
  H     16.14202807      6.19188847    -16.31936610
  H     17.22329195      8.96772425     -9.61687108
  O     19.99567791      7.74242587    -12.52710648
  H     17.33563313      5.28367439    -16.69168600
  H     12.36148617      8.19762061    -18.32271817
  O     16.60151865      8.64175618     -8.95157499
  H     16.82067333     10.65535897    -13.95766125
  H     12.20762509      7.09121183    -19.39441495
  O     12.41243461      7.23626899    -18.47487301
  H     16.38874323      9.18267963    -13.95233343
  H     10.51974844      8.70045498    -15.70533267
  O     10.53719307      9.65363351    -15.50489548
  H     14.01514542      6.71709434    -15.84511851
  H      9.63198383      9.92754157    -15.38559531
          69
 Ord_Energy   -248.117279    
 O   -5.14516354      0.812446594       10.3683920    
 H   -4.79640770       3.20041515E-02   9.92008781    
 H   -5.73352957       1.23483813       9.72581291    
 O   -4.01160669       1.23963797       7.01720047    
 H   -3.52629638       2.04560685       6.80143833    
 H   -4.85808849       1.51569796       7.39525127    
 O   -6.13070250       4.73149776       7.61872435    
 H   -6.61765242       5.51260185       7.86955500    
 H   -5.25637054       4.80171585       8.03933144    
 O   -3.98908496      -1.04641581       8.52940464    
 H   -3.87441730     -0.224337026       8.02508640    
 H   -3.10442257      -1.39857435       8.68107796    
 O   -5.90145493      -2.07494116       6.88484383    
 H   -6.52724266      -2.60662222       7.37142611    
 H   -5.24970818      -1.75088906       7.53117847    
 O  -0.991452634       1.04216540       8.90322590    
 H  -0.810478687       1.41827631       8.03033257    
 H   -1.02437747       8.28663334E-02   8.81605625    
 O   -1.13994944       5.70166016       9.31308937    
 H  -0.406949967       5.33788347       8.80258942    
 H   -1.08548105       5.28407574       10.1826639    
 O   -3.60278988       4.68576479       8.71232224    
 H   -2.81060910       5.22022486       8.87170982    
 H   -3.49370885       3.88831592       9.24992371    
 O  -0.413831919       2.42127824       6.53552961    
 H   -1.22857082       2.90753269       6.33427620    
 H   0.190772966       3.06143188       6.92979288    
 O   -5.20120621       4.07668638       4.96243143    
 H   -5.67111683       4.31361151       5.77155638    
 H   -5.63226414       3.29216266       4.60410166    
 O   -2.83242202       3.63738275       6.25234556    
 H   -3.56441379       3.83586693       5.65035152    
 H   -3.01708341       4.09798431       7.08195210    
 O   -1.28351462      -1.75608683       8.64594555    
 H  -0.726685047      -2.41594648       9.04892826    
 H   -1.28945434      -1.93426001       7.68664074    
 O   -2.95778656       2.46542931       10.2688284    
 H   -3.73355556       1.90842903       10.4215078    
 H   -2.31347895       1.94062364       9.77250290    
 O   -4.08187389      -2.52079558       4.83431864    
 H   -4.76124811      -2.44745469       5.52333832    
 H   -4.33826780      -3.24415922       4.26708698    
 O  -0.952515841      0.269978434       4.76881552    
 H  -0.664697587       1.02141476       5.30330849    
 H   -1.85624254      0.457946658       4.49143791    
 O    1.07370830       4.28934956       8.06104469    
 H    1.10014176       3.73411632       8.86088276    
 H    1.94932997       4.64980888       7.94706535    
 O   -7.34033012      0.391904533       6.14928770    
 H   -7.02232742      0.766808331       5.31769657    
 H   -6.87051439     -0.439426631       6.27778912    
 O   0.840520561       2.69694209       10.2557297    
 H   0.268105686       3.15417361       10.8844814    
 H   0.295396954       1.99630475       9.87065506    
 O   -6.16740990       1.60013831       3.84477782    
 H   -5.31460381       1.14021122       3.92978525    
 H   -6.38699627       1.60516763       2.91624284    
 O   -6.44356203       1.98861396       8.18254375    
 H   -6.92370510       1.49636030       7.49935961    
 H   -6.50295067       2.93136907       7.98846436    
 O   -3.85523582      0.270193815       4.43763494    
 H   -3.90370274      0.560432792       5.36235762    
 H   -3.89430189     -0.694099963       4.44946337    
 O   -1.44938302      -2.13676286       6.00493526    
 H   -2.29109025      -2.38358164       5.60956621    
 H   -1.16296077      -1.33021927       5.54793167    
 O   -1.22103322       4.05971813       11.6759596    
 H   -1.89791822       3.48628974       11.2764645    
 H   -1.48252535       4.20272541       12.5816631    
          69
 Energy    -248.11726520909184     
  O     17.25214891     10.77071999    -14.89274901
  H     16.57726709     11.43944622    -14.72353817
  H     16.16728102     12.43128190    -11.22416355
  O     15.29922457      6.48409772    -11.20783717
  H     17.53601039     10.44465446    -14.03096658
  H     14.89768376      9.54140031    -10.74645228
  O     11.63345374      8.74007159    -12.98073547
  H     14.33901780      6.44522456    -11.10287375
  H     15.15676824      8.23647884    -11.52995074
  O     13.18869848     12.21154831     -9.91294809
  H     15.49454928      6.15130591    -12.09637244
  H     16.98853534      9.45988629    -16.00402761
  O     15.70195848      5.79955452    -13.84301341
  H     12.35037054      9.31296407    -13.29438635
  H     17.27396247      8.77901227    -17.36444317
  O     13.85824940     10.08105014    -13.84894760
  H     11.44832974      8.13998095    -13.71205215
  H     11.87613330      5.49900473    -13.87345289
  O     17.14735005      9.75063713     -8.29049053
  H     12.72512945     12.94235363     -9.51169405
  H     12.14287389      5.39239748    -12.36058722
  O     14.24641014      3.49396290    -14.03105123
  H     12.50899341     11.59650759    -10.24194511
  H     17.32383833      6.66826728    -14.03141163
  O     14.45998984      9.92502321     -8.94507336
  H     15.20494727      6.44591407    -14.36072844
  H     17.75955419      7.70653827    -15.07044411
  O     17.57771005      7.69320005    -10.00354197
  H     15.28236087      4.93642650    -13.97038906
  H     11.49192281      9.61814943     -9.95676408
  O     12.26752711      8.29408153     -8.76089854
  H     14.32514685      9.82414609    -13.03682086
  H     11.31230753      9.83402827    -11.46906767
  O     15.38401902     12.81166338    -11.64789546
  H     14.18356008     10.95318462    -14.09678319
  H     12.25706565      7.47181464    -11.75487331
  O     15.10968119      9.19889664    -11.62132432
  H     17.32476033      8.96283936     -8.83639979
  H     12.36991126      7.16549149    -10.24700177
  O     16.84290046      8.64839477    -16.52433657
  H     17.71541666      9.69110812     -7.52737672
  H     12.73042019      7.17314966    -15.33198529
  O     12.03897428      4.86589740    -13.16310455
  H     14.19982299      2.56524874    -13.82187905
  H     11.39190752      6.81294057    -16.01256661
  O     17.98742808      7.35068652    -14.20383427
  H     13.42193180      3.88849753    -13.69874763
  H     17.50915049     11.03205844     -9.71023250
  O     11.38066039     10.30263436    -10.62769887
  H     15.36754460      9.95523741     -8.61533552
  H     17.86640107     10.87227721    -11.19476973
  O     12.52179408      6.78909130    -11.12234164
  H     14.15284184     10.82245599     -9.13115610
  H     14.23640328      8.63506363    -14.86508645
  O     11.81012235      6.91284798    -15.16080503
  H     17.89553242      8.13984241    -10.79658236
  H     15.20092271      8.02378845    -15.90255591
  O     17.57664818     11.51948827    -10.53869172
  H     16.84195186      7.13758651    -10.29414864
  H     14.93741333     13.38600602    -14.69111463
  O     14.41797131      7.82934734    -15.37149340
  H     13.09117833      8.81172273     -8.75434178
  H     15.23061783     12.69615948    -13.33533325
  O     15.12099479     12.54042507    -14.29246285
  H     12.05261851      8.10334164     -7.85157738
  H     17.94815346      8.65008232    -13.01021147
  O     17.78943403      9.38439945    -12.39523236
  H     14.63511143     12.64351151    -11.06614067
  H     16.84967872      9.36798532    -12.15652400
          69
 Energy    -248.11693624974009     
  O     -6.90518295      1.78652667     -2.52577576
  H     -7.09027203      2.27424315     -1.71476535
  H     -6.49201409      0.09545357      1.02494215
  O     -2.93393467      1.54877884     -3.82266725
  H     -6.25187102      2.31264770     -3.00429260
  H     -4.17589517      1.45740881      3.53053983
  O     -7.12450399      3.19450171     -0.05832494
  H     -3.26683284      0.73077632     -3.42945808
  H     -5.10613484      0.96163857      4.66515147
  O     -3.25456219     -1.08811083      2.46539852
  H     -2.14570641      1.77292495     -3.30978055
  H     -2.88816148      2.27429633      0.23671878
  O     -0.24003279     -0.13333146     -0.40808510
  H     -6.88639205      2.42664512      0.48960446
  H     -3.25984652      3.71679055     -0.19853530
  O     -3.89976569     -0.57499467     -2.28660449
  H     -7.89985300      3.58534680      0.33620698
  H      0.89295366      2.79285224      1.97528084
  O     -4.14527054     -3.08857716      0.74494250
  H     -3.94409815     -0.63343425      2.96318937
  H      0.57736193      1.38196285      2.49568497
  O     -2.15907499     -2.20672637     -0.86629057
  H     -3.64110551     -1.85079534      2.01722529
  H     -0.93701050      3.84402081      0.74998206
  O     -0.97816480      2.11978418     -1.93290771
  H     -0.55598170      0.56541163     -0.99734716
  H     -0.16778400      5.05898312      1.30505332
  O     -0.95004809      0.35659028      2.26120900
  H      0.70982972      0.01073224     -0.31021695
  H     -6.81602610      0.06487026     -2.51611612
  O      2.39523119      0.78047219      0.11265391
  H     -4.83086399     -0.78126650     -2.43092546
  H     -7.23401072     -1.27561287     -3.16766583
  O     -6.32533592      1.00259155      1.32932202
  H     -3.85062782     -0.09002924     -1.44897969
  H     -2.07323838      1.73876674      2.82708162
  O     -4.91235136      0.85369841      3.73796703
  H     -4.13194274     -4.04003328      0.80499155
  H     -2.83342492      2.89619758      2.18105384
  O     -2.55888435      3.18577233      0.21105986
  H     -3.40615054     -2.83402510      0.16220847
  H     -6.62152353     -1.38383002     -0.66670716
  O      1.30905478      1.98344224      2.29735821
  H     -2.69640788     -1.75208276     -1.53106943
  H     -5.73877584     -2.07988370      0.39783767
  O     -0.05748618      4.15656572      1.01331109
  H     -1.41201263     -1.62225407     -0.69042014
  H     -4.66379653      0.87402532      0.48250914
  O     -6.68959356     -0.90114996     -2.48061434
  H     -1.54212456      2.57931977     -1.30013893
  H     -3.40409507      0.08048495      0.87393606
  O     -2.78242306      2.37777308      2.99013663
  H     -0.09664205      2.51437425     -1.85899363
  H     -5.52169315      4.05148897     -0.63875540
  O     -6.49478616     -1.49150364      0.28509304
  H     -1.63765065     -0.28945842      2.47311148
  H     -4.71076095      4.10296859     -1.94649510
  O     -3.75146753      0.69618267      0.21794787
  H     -0.71819166      0.20355534      1.33387595
  H     -4.16199030      2.74584706     -3.77800151
  O     -4.67721219      4.33583740     -1.00928333
  H      2.11346229      1.19552638      0.94785292
  H     -4.90434252      3.89979210     -4.49178166
  O     -4.88229183      3.39534015     -3.68330036
  H      3.26513194      0.42063585      0.26211664
  H      1.91867137      2.37815531     -0.86901684
  O      1.46524581      3.15115596     -1.22875178
  H     -5.96382823      0.96108915      2.22334598
  H      1.08128980      3.60684361     -0.46876485
          69
 Energy    -248.11671293702244     
  O     12.05122668     10.38290387    -11.52558622
  H     11.26422752     10.89214845    -11.34830882
  H     13.48784265      5.45263968    -11.64048081
  O     15.96911043     12.12407770    -13.91766809
  H     11.97867628      9.56866716    -10.99649609
  H     12.42708828      7.55510506     -9.60451763
  O     13.70232943      6.48351776     -8.68038803
  H     15.33880274     11.90431164    -14.61329395
  H     11.99451396      7.51930231    -11.07397052
  O     16.66661385     10.69333953     -9.63380463
  H     15.53845459     11.88205807    -13.08589822
  H     17.83241825      4.71008449    -13.19477316
  O     12.24903140      9.73029060    -14.41007725
  H     14.48384839      7.06434438     -8.69991420
  H     19.17284883      3.94252403    -13.19981199
  O     18.57060065     11.39959448    -14.01199982
  H     13.62975925      6.15586521     -7.78782101
  H     13.37307862     10.69893524    -15.32180621
  O     14.73869363     11.15459843    -11.61078379
  H     17.36423715     10.46211498    -10.27383944
  H     13.70661645     11.49243509    -16.60827449
  O     16.86370125      6.98866555    -11.26726650
  H     17.06551960     11.28548158     -9.00120078
  H     13.50664335      6.49812708    -15.44458466
  O     18.01769458      5.98417193    -15.90647078
  H     12.30917014      8.79023508    -14.60878700
  H     12.08606224      6.45846922    -16.04394331
  O     16.06288209      4.86755661    -12.91883242
  H     12.16829861      9.82142785    -13.45377189
  H     15.37432878      8.79538498    -14.21583269
  O     15.29489616      6.14630928    -15.38563963
  H     17.63881341     11.68516347    -14.01157079
  H     15.14661645      9.61029002    -15.52091824
  O     14.04557023      4.88604463    -11.08808719
  H     19.09159501     12.16422422    -14.24195742
  H     13.51177728      7.44578016    -12.54923159
  O     11.87352995      8.01187730    -10.24876999
  H     13.80372575     10.99789654    -11.42303982
  H     12.55649201      6.70363819    -13.51909867
  O     18.77984823      4.78838029    -13.39969001
  H     15.26039540     11.06112462    -10.80274178
  H     16.10599047      8.96103107     -9.01855856
  O     14.09433989     11.12533908    -15.81873894
  H     17.70140983      7.23140400    -11.68260271
  H     16.32653819      7.58227567     -9.65494068
  O     12.60437304      6.84354594    -15.34149205
  H     16.54719325      6.20135584    -11.72788880
  H     18.91928860      7.94531408    -13.51429941
  O     15.60435463      8.84524778    -15.15734726
  H     18.27980579      6.90550451    -15.79021690
  H     19.24661867      6.58178655    -12.86702305
  O     12.75457285      6.83967840    -12.58626620
  H     18.40588302      5.51049055    -15.16078359
  H     15.64140629      8.06684001    -12.03630142
  O     15.90760912      8.02623780     -8.90233230
  H     15.68428169      5.27562837    -13.70798124
  H     14.90524400      9.43789811    -12.18947986
  O     19.17483513      7.52565986    -12.67865243
  H     15.34521714      4.70472110    -12.28694938
  H     18.93108107      9.21752251    -11.72609375
  O     14.95502702      8.53580030    -12.52885734
  H     15.34334598      7.11457908    -15.33943268
  H     18.59371263     10.59807807    -12.30364667
  O     18.56702754     10.07819841    -11.49025004
  H     16.16822529      5.89105792    -15.71460284
  H     18.59551639      9.67051629    -14.80999978
  O     18.36092500      8.76263236    -15.03897640
  H     13.99892754      5.28127919    -10.21047431
  H     17.39654866      8.77486277    -15.13243735
          69
 Energy    -248.11665916224192     
  O      3.18975352     -1.11477720     -2.01278074
  H      3.90576363     -1.70917218     -1.71900419
  H      4.35309316     -3.14172592      3.67914166
  O     -1.39612370     -2.83753905      2.98345918
  H      3.57066428     -0.52566720     -2.65834504
  H      0.18666891     -4.43061468     -3.41592673
  O     -1.18317673     -2.64156913     -1.21617742
  H     -1.15379974     -2.14402299      2.34133809
  H     -1.32212534     -4.69047425     -3.57726999
  O      1.98000724     -6.50161902      2.68722553
  H     -2.14657382     -2.51241495      3.47274917
  H      3.26172953     -5.35778353     -0.90968671
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  H     -1.29345791     -3.93178571      0.07811067
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  H      1.40791132     -6.65679247      1.92444846
  H     -1.50382941     -4.12410870      1.59776800
  O     -0.70145598     -1.08825809      1.05259769
  H      1.63217550     -5.72267376      3.13424268
  H      4.85868758     -5.37006066      2.41612488
  O      3.68134505     -0.03556023      2.69451153
  H      5.68455922     -2.29172303      1.91224489
  H      3.74511359     -6.41145266      2.21300575
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  H      5.23120756     -0.85735596      1.70365754
  H      0.25392812     -3.51237061      3.48691587
  O      2.48174424     -3.29487990      1.23870974
  H     -2.61953162     -5.58107203     -0.34372400
  H      1.57671291     -3.67816654      2.69518994
  O      4.72039460     -3.55767597      2.89358993
  H     -2.34800016     -6.60780382     -1.45570832
  H      2.30799328     -2.64030752      4.32684735
  O     -0.45690254     -5.11390775     -3.64168888
  H      0.07070357     -7.03323101     -0.48760359
  H      2.97392602     -2.01915104      5.57314870
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  H     -0.21108653     -5.91082671      0.53721074
  H     -0.55502425     -6.61047354     -2.71356040
  O     -1.43139421     -4.60133796      0.76431857
  H     -0.97786004     -1.50284139      0.22340387
  H     -0.64592647     -8.15439425     -2.71012334
  O      4.64590819     -6.18315513      1.94047129
  H      0.21413313     -0.81698117      0.90752013
  H     -3.82505909     -3.80704337     -3.37108696
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  H      3.43647900     -0.69382494      3.36306920
  H     -3.11458316     -4.68972957     -2.31535694
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  H      3.78592292      0.79326380      3.15707286
  H      4.95842668     -5.84934182      0.28547255
  O     -0.72113240     -7.38686687     -2.14951803
  H      2.44626724     -0.66377964     -0.36197891
  H      5.69261380     -6.17641698     -1.03695129
  O     -2.98775125     -3.95300597     -2.94020183
  H      2.63266099     -0.31062146      1.16020987
  H      1.84779397     -2.38553542     -2.46847436
  O      5.05139438     -5.58747535     -0.64913114
  H      2.28779034     -2.40299915      0.92692307
  H      1.64917545     -3.83679401     -1.97752185
  O      1.23300990     -3.12669117     -2.49276876
  H      2.45058458     -3.88955743      0.47999099
  H      5.46920535     -2.28355621     -0.26669868
  O      5.13765473     -2.70136400     -1.07545945
  H      4.01032203     -3.50982357      2.23186187
  H      5.17990982     -3.65324013     -0.94006549
          69
 Energy    -248.11664415444136     
  O     15.04148240     10.07750703    -15.45204153
  H     15.73528297      9.44243714    -15.22109089
  H     15.69484305      5.80228686    -16.39590927
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  H     14.25443967      9.53088062    -15.57917467
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  H     17.97949007     13.24509643    -12.24337036
  H     18.42430488     10.54871713    -16.89746327
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  H     18.16807088     14.68928047    -11.72407129
  H     17.76486913      8.21959924    -14.65656861
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  H     16.65006339      7.18110884    -14.96060734
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  H     14.58400042      6.71472930    -18.55167324
  H     17.71699211      8.87479377    -10.13959770
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  H     17.36951147     10.35947749     -8.06812739
  H     13.29979243      7.45890465    -14.85696799
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  H     16.96746943     10.94240839     -9.44300768
  H     19.30667519     12.52696062    -10.60038466
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  H     14.60898259      7.79357489    -12.39567077
  H     19.12445700     11.26341218     -9.74404770
  O     19.08950499      9.90212647    -17.19561726
  H     15.91426701      8.24649685    -13.07766919
  H     18.82718429      9.31837006    -11.95367595
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  H     16.79661070     11.65994123    -13.22501302
  H     19.69820279     10.57643740    -11.73656204
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  H     18.29248099     11.25653942    -13.15073434
  H     15.56070751     11.83497341    -11.14331247
  O     13.24071359      8.00425045    -15.65008223
  H     19.17865843      5.74926153    -13.51647837
  H     16.63943446     12.80752791    -10.62413548
  O     19.75042457     11.71530202    -10.32400660
  H     19.77346304      6.81257146    -14.46640940
  H     18.06968693      8.38441722    -17.75721094
  O     19.36707018      9.97270340    -12.41703792
  H     12.70286927      6.06838855    -12.76281950
  H     18.09767778      6.84211542    -17.66827897
  O     16.03153440     12.11044877    -10.34656664
  H     14.20708565      5.87985034    -13.07174497
  H     15.14878796     10.14196347    -12.47621431
  O     17.57517347      7.58926248    -17.98590357
  H     19.33610704      4.56660670    -17.22397899
  H     14.91774875     10.92310457    -13.76453141
  O     15.12671079     11.04384218    -12.82837749
  H     19.18387506      5.41927986    -15.94114664
  H     17.48674035     11.86515050    -15.31656651
  O     17.24709084     11.59800863    -16.21358837
  H     17.11383841      5.24925340    -16.10263958
  H     16.37826355     11.18070137    -16.13218951
          69
 Energy    -248.11660979049717     
  O    -12.40208954      4.04026007      1.96933779
  H    -12.29920498      4.67684693      2.68711667
  H     -9.68017307     -1.33348463      5.26104628
  O     -4.23338666      3.42949227      2.47420113
  H    -13.03190002      3.38038674      2.28666348
  H     -8.89820390      4.54312891      3.44142099
  O    -11.92534150      5.62850247      4.27547788
  H     -4.94694597      2.77813733      2.45520367
  H     -9.58643760      3.60757563      4.45466948
  O    -11.52958691     -0.92224454      5.76753597
  H     -4.65625064      4.28178782      2.30786136
  H    -12.24072090     -0.44162692      4.08834314
  O    -14.12130504      2.11371421      3.12259784
  H    -11.00363450      5.32044798      4.31500059
  H    -11.72129872      0.15665511      2.76286257
  O    -10.10869607      0.90967223      2.17784204
  H    -11.92495680      6.53887717      4.55933861
  H     -6.84195807      5.14352335      6.07824226
  O     -6.58462949      1.86694735      2.86822474
  H    -11.90768855     -1.55576479      6.37320616
  H     -8.25773896      4.67867902      5.67609434
  O    -13.28475418      3.42464330      5.51456244
  H    -11.58568621     -0.05587018      6.20620410
  H    -10.95168234      2.09684970      7.26638340
  O    -10.25747103      3.23371363      0.57594532
  H    -15.01018655      1.85356219      2.89617504
  H    -12.28294206      2.29254165      6.44264175
  O     -7.90520041     -0.63925014      2.51636565
  H    -13.59311851      1.29719807      3.17021817
  H     -9.05695803      1.49358360      5.25460023
  O     -3.54004925      3.61875593      5.10338749
  H    -10.00092946      1.28429963      3.06848556
  H    -10.54688625      1.84368957      5.28959453
  O     -8.72905197     -1.47696205      5.17515171
  H    -10.16789261      1.64771411      1.56111560
  H     -8.82559193      3.51238383      7.58558579
  O     -9.42593244      4.54166836      4.24927287
  H     -6.42682287      2.00471854      3.81450239
  H     -8.86201332      1.98558265      7.61913854
  O    -12.52719092     -0.06866298      3.24538459
  H     -6.92279997      0.97191006      2.75645014
  H     -7.51241539      3.26730896      2.21786112
  O     -7.57791076      4.57703892      6.35534548
  H    -13.66309007      2.98453639      4.74287955
  H     -8.69812482      3.83593671      1.37409569
  O    -11.63188144      1.64252039      6.74658040
  H    -12.88221297      4.23619791      5.18420977
  H     -5.83755945      6.53673104      1.69476823
  O     -9.76832663      1.86448031      4.71677187
  H    -10.46667673      3.27826907     -0.35320257
  H     -6.62562941      5.27112832      2.10238309
  O     -9.36636156      2.77165314      7.87864257
  H    -11.03936035      3.56395094      1.05656286
  H     -5.56514319      5.91876404      4.22369019
  O     -7.94722558      4.08429100      1.92689106
  H     -7.76340372     -1.29244930      1.83527155
  H     -4.68133016      5.19818875      5.25065752
  O     -5.83380048      5.79866188      2.29937231
  H     -8.72109432     -0.16150615      2.28635241
  H     -8.08587638     -0.13503809      6.18750840
  O     -5.40787452      5.82835856      5.17122812
  H     -2.61304181      3.48655537      5.28063855
  H     -7.12824320      1.11328272      6.28094792
  O     -7.96447096      0.73797344      6.58653472
  H     -3.66151645      3.52932313      4.14135499
  H     -5.12304086      2.70807979      5.51791625
  O     -6.03338343      2.39055512      5.53555146
  H     -8.48923988     -1.28012390      4.26227217
  H     -6.57976920      3.12408704      5.85615118
          69
 Energy    -248.11646068399097     
  O     16.67288730      8.43153892    -15.60202681
  H     17.28474094      8.43250288    -14.85116618
  H     17.35845954      9.12618517    -17.05195295
  O     14.84492747     10.68616852    -14.90285288
  H     15.91262153      8.95470167    -15.32903819
  H     16.21906606     12.12964102    -11.08832437
  O     20.23152471     10.71819286    -10.88366063
  H     14.45552555     10.36798604    -14.07595457
  H     15.46011896     11.80985677     -9.78227654
  O     19.94388462     13.23548297    -12.11350890
  H     15.74385333     10.97602751    -14.67946338
  H     17.59528665     16.33094077    -13.76983419
  O     14.16830523      9.85899564    -12.37460924
  H     20.17763169     11.65496051    -11.11459643
  H     17.81418121     17.81548156    -13.40717205
  O     17.77900143      9.41878014    -10.88788265
  H     20.65341824     10.30275552    -11.64449966
  H     20.21302299     12.13814317    -15.33649526
  O     18.41639101      8.87108151    -13.46708800
  H     20.20365380     12.86986486    -12.96873841
  H     21.28667880     13.14507415    -14.83355709
  O     15.23684477     11.15228668    -17.65315248
  H     20.23012241     14.16015583    -12.11686752
  H     15.14342565     12.86611329    -17.80845425
  O     17.66481793     14.33804754    -16.70194277
  H     14.17760306      8.98209441    -11.99586644
  H     14.59133557     14.13869111    -18.49806057
  O     20.67130622     15.82493458    -12.60852218
  H     14.65659638     10.41785077    -11.75214328
  H     18.95504894     15.60901707    -16.43503579
  O     18.77036078     11.81621841    -16.40037084
  H     17.08341932     10.05698719    -10.70167002
  H     19.19705423     16.64737358    -15.32299081
  O     17.67568628      9.64216717    -17.81524256
  H     18.62104712      9.87590263    -10.73403913
  H     17.05704313     14.69499001    -14.99081530
  O     15.71527936     11.44001323    -10.62417436
  H     19.36312910      9.05025081    -13.51285316
  H     15.68825885     14.54225110    -14.31542981
  O     18.27183963     17.02034204    -13.66926006
  H     18.15352909      8.92376341    -12.53360234
  H     21.05013725     15.37063462    -15.53901786
  O     20.87159007     12.29337111    -14.64453960
  H     14.96878041     10.91528820    -16.75461430
  H     22.59298696     15.25550004    -15.51388858
  O     15.10847683     13.83894631    -17.75553805
  H     16.03814427     10.64882020    -17.83620092
  H     21.95235989      9.37386974    -13.70577192
  O     19.62344385     16.20348788    -16.06584801
  H     18.08446949     13.46655167    -16.70144995
  H     21.11587087     10.65250321    -13.92495828
  O     16.57910396     14.89464248    -14.17346414
  H     16.81466428     14.24657108    -17.15035040
  H     17.75136547     10.51388624    -13.81282357
  O     21.79734087     14.90176023    -15.12497289
  H     21.16245431     15.61029135    -13.41122631
  H     17.35788000     11.96608499    -13.36926531
  O     21.11439637      9.78041577    -13.49789861
  H     19.88176531     16.29935840    -12.89771384
  H     14.31777307     12.63081990    -14.89380938
  O     17.38883359     11.35821877    -14.11606787
  H     18.53055363     11.09709615    -16.99613423
  H     14.44920149     13.74580724    -15.94206631
  O     14.31710349     13.58840660    -14.99793881
  H     18.24497110     11.68351578    -15.59331775
  H     16.96229515     13.88124560    -12.71000682
  O     17.21623656     13.22276317    -12.04932638
  H     17.91162897      9.01437619    -18.49275125
  H     18.18008559     13.26200290    -11.95706897
          69
 Energy    -248.11644118247023     
  O     13.64533821     12.72793282    -13.06452594
  H     13.02550472     13.27140691    -12.58398147
  H     16.98147080      5.87633308    -16.96362894
  O     15.08029643      6.95416383    -13.61419692
  H     14.11505826     12.19359769    -12.40283732
  H     15.87750232     12.79689878    -18.21249738
  O     19.64858374     10.72363277    -13.21937288
  H     16.02084888      6.73513644    -13.64418643
  H     15.74225912     12.46731248    -16.70976410
  O     17.24874810      9.73070979    -16.90733261
  H     14.65088711      6.48426466    -14.34483629
  H     15.34110194      8.51195660    -14.46478661
  O     16.95786293     10.53569465     -9.36656694
  H     20.13550120     11.52198895    -13.40624396
  H     14.60088460      9.80578251    -14.90574020
  O     14.08298884      8.43527599    -11.54700198
  H     18.70210508     10.94415661    -13.29343947
  H     18.07385161      6.61900014    -12.20515866
  O     16.97874318     11.13301058    -13.39610851
  H     16.58501149      9.51724806    -16.23053611
  H     18.66878436      6.03542577    -10.91032342
  O     16.67097701      7.21942829    -18.01578056
  H     16.93738611     10.55131375    -17.30323687
  H     11.22213731      8.12774352    -12.96056619
  O     15.98079345      7.82007541     -9.66021995
  H     17.73889441     10.21235021     -9.85214957
  H     12.49160339      8.73805478    -12.34743785
  O     13.85489239      7.58807707    -18.04231754
  H     17.27751219     10.91538304     -8.55264966
  H     18.56945665      9.05146351    -15.74930911
  O     14.22880624      5.72924073    -15.88927991
  H     14.60659132      8.16532163    -10.77974763
  H     19.38488189      9.30710818    -14.45862756
  O     17.02481540      5.12924553    -16.33847179
  H     14.39412265      7.88561208    -12.28263430
  H     17.60366069      5.87067290    -14.71764039
  O     15.78356677     12.07317663    -17.59859608
  H     16.42715652     11.17646828    -12.60567640
  H     18.26998401      7.21346227    -14.32564333
  O     15.46720443      9.38146482    -14.86316961
  H     16.55864460     10.46393296    -13.95763703
  H     18.81802142      8.54805401    -10.96264068
  O     18.19239499      6.78718497    -11.25661001
  H     15.71849682      7.32977136    -18.13287921
  H     19.34966792      9.86821765    -11.57139013
  O     11.75355821      8.92041107    -12.95094858
  H     16.99908622      8.08868039    -17.75204911
  H     13.18771470     10.41557060    -16.62646456
  O     19.04389241      8.61124858    -15.03199909
  H     16.30684898      8.69321413     -9.41137889
  H     14.28374257     10.86250423    -17.61598440
  O     17.79802014      6.44427848    -13.96613515
  H     16.68575613      7.41253858    -10.17854842
  H     14.67940247     10.16708809    -11.48159584
  O     19.01150983      9.47187482    -10.75943877
  H     13.74800845      8.53413982    -17.84292985
  H     15.64663893     10.99142479    -10.59382451
  O     13.55509928     10.24090525    -17.50372093
  H     13.25566622      7.39728830    -18.75975545
  H     16.31565232     12.48436559    -14.52382684
  O     15.05856223     11.05002190    -11.35806975
  H     15.10752086      5.38107475    -16.08770663
  H     14.94322823     13.13910683    -14.47657324
  O     15.71753935     13.03977127    -15.04153762
  H     14.02435755      6.35593209    -16.59518600
  H     12.43641377      9.98499976    -14.22316671
  O     12.93846060     10.58573798    -14.79366242
  H     17.40422892      4.39636335    -16.81598004
  H     13.10193819     11.38188360    -14.27492774
          69
 Energy    -248.11619478182226     
  O     -6.36451923      2.52736374     -3.38049584
  H     -7.10182126      2.93279349     -3.83063909
  H     -6.13694064     -0.12453702      0.84532661
  O     -2.00169784      2.41949493     -3.81457496
  H     -5.58446350      3.07024778     -3.57912509
  H     -2.38032882      2.08325291      2.72725469
  O     -5.79553938      2.52490925     -0.58744459
  H     -1.19910098      2.49621082     -3.28347391
  H     -1.66816760      2.74851247      1.51230144
  O     -2.97157215     -0.95852326      1.64571984
  H     -2.30632014      1.50826002     -3.70535692
  H     -1.14049711      2.97933289     -0.80167663
  O      0.22333540     -0.34164049     -1.04177169
  H     -5.26675733      3.33718196     -0.57844236
  H     -2.45063610      2.31172687     -0.34461970
  O     -2.96512007     -0.09389696     -3.07039952
  H     -6.14758951      2.45220925     -1.48112461
  H      2.59245145      0.25710852      1.56284768
  O     -3.64880476     -2.61367385     -0.43258390
  H     -2.01493392     -0.81426114      1.69306622
  H      2.00808223      1.27432466      2.56664352
  O     -1.52898312     -2.31845224     -2.09578703
  H     -3.36906621     -0.37266821      2.29980677
  H      0.23212635      2.88236297      2.60009178
  O      0.12345123      2.33856148     -1.96189701
  H     -0.05614292     -0.25084026     -0.11806916
  H      1.36817015      3.76145989      3.15824522
  O     -0.39752518     -0.07574374      1.64505821
  H     -0.31463476     -1.03950629     -1.43258027
  H     -4.81715781     -0.27163059     -3.17662330
  O      2.86483233      0.20368915     -0.34659136
  H     -3.12308713      0.26439329     -2.18135809
  H     -6.03627119      0.66688575     -3.22977291
  O     -6.05591169      0.65848897      1.40272451
  H     -2.44572769     -0.89465631     -2.93947665
  H     -4.80782277      1.04353507      2.56629170
  O     -1.52438318      2.38265705      2.40050618
  H     -3.38938098     -2.19283527      0.40032454
  H     -4.40254006      1.18658658      4.04832911
  O     -1.88594090      3.08699302     -0.19838212
  H     -4.55717716     -2.32546203     -0.57704797
  H     -7.04306647     -1.96250900     -0.69133340
  O      2.19478979      0.33495525      2.43977167
  H     -2.28904632     -2.47400639     -1.50560795
  H     -6.12772325     -0.99070080     -1.46618591
  O      1.18755289      3.04379744      2.55508002
  H     -1.30611464     -3.16195065     -2.48041264
  H     -3.41607864      0.22706730      0.16460911
  O     -5.76718368     -0.23022365     -3.00132653
  H      0.86625385      2.70592402     -1.46094938
  H     -4.33715530      1.30155640     -0.50776110
  O     -4.04805034      1.17344715      3.16249357
  H      0.10444088      1.39457138     -1.75259118
  H     -3.25208485      4.27328821     -0.66110217
  O     -6.25736298     -1.42760000     -0.60579862
  H      0.49375371     -0.09802141      2.01973058
  H     -4.06472391      4.58468189     -1.92969888
  O     -3.46831519      0.87941902     -0.54296088
  H     -0.78081626      0.77714724      1.89129933
  H     -3.32351431      3.49890080     -3.82653334
  O     -4.09285381      4.64083087     -0.96698032
  H      3.51316779     -0.23332051     -0.89310981
  H     -3.92697184      4.78260041     -4.43970793
  O     -4.10154075      4.08661304     -3.81172778
  H      1.99269431     -0.06664216     -0.67746952
  H      1.82458961      3.08678609      0.71386158
  O      2.13242700      2.97704589     -0.19346895
  H     -6.14325834      1.41175779      0.79980879
  H      2.53576409      2.10024403     -0.23029299
          69
 Energy    -248.11615288941843     
  O     -7.47815638      3.34605181     -1.65937209
  H     -8.26651555      3.70807946     -2.05420887
  H     -4.14381608      0.21797777      3.51774141
  O     -3.73718298      1.05916879     -3.75224324
  H     -7.65263529      2.40103761     -1.49389718
  H     -0.92306373      1.09181714      2.21402867
  O     -6.32158422      3.46161357      0.88430138
  H     -4.12044052      1.90278569     -3.44339134
  H      0.29561697      2.02824846      2.38645126
  O     -3.59182603     -1.58574718      3.51943566
  H     -3.85336687      1.03588968     -4.69792255
  H     -2.88184930      2.05442123      0.08453603
  O     -1.92419029     -1.61943311     -0.67081152
  H     -6.72864884      3.60382005      0.02078180
  H     -1.45240401      2.36249102      0.61328052
  O     -5.21737563     -0.22455169     -1.73363202
  H     -5.71926252      4.19215262      1.07462876
  H      0.93220138     -1.22224514     -0.15249107
  O     -5.45921946     -2.07172159      1.63823823
  H     -3.66528010     -2.23031601      4.21747478
  H      0.19911988     -1.52472013      1.17427178
  O     -4.35527822     -2.74901372     -0.90575015
  H     -4.27669259     -1.80274775      2.85972476
  H     -6.92070232      0.33476802     -1.46339335
  O     -1.43008950      0.66431687     -2.19055484
  H     -1.04573806     -1.93793391     -0.41750282
  H     -7.89657022      0.29667578     -0.27994272
  O     -1.47416929     -0.57650940      1.97152864
  H     -1.79532375     -0.85718870     -1.25152962
  H     -2.10745518      3.10968962      2.90120947
  O     -7.15628169      1.64467296      2.83590468
  H     -4.95887054     -1.13925576     -1.56793072
  H     -3.52567325      2.70329799      3.31199639
  O     -4.43693261      1.09306683      3.24296543
  H     -4.70369222      0.11248908     -2.47815574
  H     -7.65430756      0.23566243      1.96122907
  O     -0.64815324      2.02441002      2.24827589
  H     -6.27532686     -1.57054530      1.51983381
  H     -8.67585778     -0.91039217      1.78351716
  O     -2.00720136      2.38491789     -0.17446561
  H     -5.16459965     -2.34837587      0.76291403
  H     -5.14364675      2.08698366      0.54056803
  O      0.58753326     -1.94275654      0.39770644
  H     -3.44595300     -2.41400965     -0.80190412
  H     -4.76653568      0.79500523     -0.24572899
  O     -7.75199944      0.70982036     -1.13909919
  H     -4.28972463     -3.61836310     -1.29139110
  H     -3.63659078      5.05330055     -0.19244903
  O     -2.97592262      3.47270694      3.10803327
  H     -1.58172517      1.33144349     -1.50112047
  H     -2.70810508      3.99362927     -0.79124241
  O     -7.87001183     -0.54782101      1.42388878
  H     -2.12771813      0.78719753     -2.84433152
  H     -5.76121270      3.34945962     -2.49270967
  O     -4.49040438      1.37621690      0.47278017
  H     -2.12476851     -0.95904162      2.57372205
  H     -4.32486383      3.87317169     -2.24354393
  O     -3.29698671      4.72221015     -1.03161010
  H     -1.76101849     -0.81386229      1.08041649
  H     -4.34897670      6.11538936      2.05930915
  O     -4.85532708      3.29878572     -2.81548373
  H     -6.27858381      1.45157258      3.19225767
  H     -3.80909691      4.66999433      2.14597794
  O     -4.31797004      5.28653975      1.58918826
  H     -7.01773924      2.36728482      2.20766712
  H      1.85927964      0.43897884     -1.97335265
  O      1.19539824      0.16937239     -1.34299876
  H     -4.42145635      1.08992015      2.27230366
  H      0.34177654      0.37342688     -1.75462306
          69
 Energy    -248.11606041005757     
  O     14.18989239     12.30447582    -14.56794444
  H     15.14427007     12.34949565    -14.69019407
  H     18.94825294      7.15472953    -13.57129955
  O     14.34733698      6.23040509    -13.51979354
  H     13.87494069     11.63037689    -15.18829654
  H     16.67880964     10.12453347    -17.55002817
  O     18.25819276      7.85767630    -11.99530246
  H     13.78102204      6.13908330    -14.30142828
  H     17.33084447     10.85150464    -16.34389187
  O     11.20466485      8.54074713    -15.58570079
  H     13.85754515      6.66883500    -12.81042996
  H     14.94855663      7.77478273    -14.27270986
  O     15.68212461      8.79598150     -8.82737064
  H     18.37705190      7.90095359    -11.03801375
  H     16.00733858      8.24709010    -15.30366687
  O     13.29014935      7.70205335    -11.42653997
  H     17.63610636      7.13031832    -12.14927243
  H     13.30340861     11.98459879    -13.12844118
  O     16.81629216     10.03751955    -12.94697723
  H     10.28316914      8.58876829    -15.82468669
  H     12.33400451     12.50449670    -12.03980995
  O     15.05956358      6.78894309    -17.84625720
  H     11.26308292      8.76975493    -14.64004749
  H     16.65463092      5.31346348    -10.82278678
  O     14.11645438      6.39597222     -9.08528129
  H     15.34342671      9.36490706     -9.53217760
  H     17.18868742      6.09620450     -9.60187737
  O     17.28643755      7.53581356    -16.39412097
  H     15.07183628      8.05061915     -8.77207999
  H     11.98815275      8.62475190    -12.41073837
  O     12.99467610      6.32951925    -15.86895240
  H     13.43486836      7.20156617    -10.61419080
  H     11.88015526     10.11326819    -12.79664637
  O     19.02919211      6.61301655    -14.37213451
  H     13.81708390      8.51036919    -11.34522502
  H     17.43864707      5.51049836    -13.41420250
  O     17.47510732     10.15921225    -16.99683800
  H     16.24488673      9.55874632    -13.57074073
  H     15.94306929      5.71353231    -13.02080602
  O     15.34101934      8.55891790    -14.67668877
  H     17.42513187      9.38218224    -12.58412658
  H     17.29606042      8.19367478     -9.03880672
  O     12.80546123     11.72861404    -12.33072145
  H     15.25720163      6.14242918    -18.52038163
  H     18.70001739      7.90673628     -8.45389015
  O     16.53657920      5.43858791     -9.87166400
  H     15.89107174      6.95286933    -17.37064877
  H     14.44016230      9.95042393    -17.65964973
  O     11.52447194      9.23860985    -12.99457426
  H     14.94817266      5.97120462     -9.36203070
  H     15.00397069      8.70907892    -18.35148912
  O     16.83366880      5.55123528    -12.66964411
  H     13.70901505      5.81596068     -8.44787953
  H     15.47668459     10.15993448    -11.70942360
  O     18.14956078      7.75786635     -9.21754301
  H     17.50974800      8.45038727    -16.63984520
  H     14.05823807     10.72554341    -11.42902021
  O     15.08001464      9.66955631    -18.32871979
  H     17.95213046      7.21118698    -15.77821088
  H     17.70460386     12.70224082    -14.60687968
  O     14.71864222     10.09578375    -11.11301622
  H     13.61696125      6.51296843    -16.58353104
  H     17.05921860     11.39835529    -14.08507510
  O     17.04244383     12.04556310    -14.80999567
  H     12.34781599      7.04590106    -15.86503036
  H     14.11746009      9.56089984    -15.57924356
  O     13.48276813     10.10086090    -16.07495112
  H     19.93490035      6.31277435    -14.40335337
  H     12.63470053      9.64600477    -16.01538317
          69
 Ord_Energy   -248.115540    
 O   -4.79049492      -3.15090084     -0.146367654    
 H   -5.29879379      -3.90360689      0.193370759    
 H   -4.59790993      -2.60300517      0.622526646    
 O   -2.20875907     -0.787701070       2.23702621    
 H   -1.77573454      -1.65794230       2.27316451    
 H   -1.56720912     -0.161366731       2.56053209    
 O  -0.701640964      -5.55237579      0.653370857    
 H   0.166221172      -5.94543886      0.708953977    
 H  -0.982907057      -5.63597775     -0.273513228    
 O   -4.25840712      -7.18462229      -1.07666600    
 H   -5.09021282      -7.65707636      -1.18844938    
 H   -4.33871555      -6.33974600      -1.54295301    
 O   -7.81233883      -8.29616737       1.19692528    
 H   -7.03945732      -8.10913563       1.75005877    
 H   -8.50985527      -7.71306705       1.51819885    
 O   -5.73695755      -5.75629473       4.89049196    
 H   -5.76309729      -5.94273233       5.82477427    
 H   -6.61543417      -5.41308212       4.64463329    
 O   -6.46217775      -5.10708284      0.856999278    
 H   -6.25418234      -5.87876844       1.39396942    
 H   -6.95448828      -5.39913464       7.89293274E-02
 O   -7.79321814      -5.82025528      -1.51953733    
 H   -7.43551064      -5.33127832      -2.27099156    
 H   -7.51924467      -6.74249840      -1.60154021    
 O   -6.97743130      -2.22863531      -1.68670630    
 H   -7.72435570      -2.11123395      -1.08882105    
 H   -6.20307350      -2.38638711      -1.12951982    
 O   -8.11564732      -4.84682035       4.01000643    
 H   -8.66840744      -5.39725733       3.44141674    
 H   -7.94571924      -4.03273344       3.51769972    
 O   -4.68103886      -1.97148657       2.40451479    
 H   -4.38690853      -2.82361317       2.76060009    
 H   -3.90073872      -1.39996982       2.38435745    
 O   -5.63720846      -7.30825138       2.55114007    
 H   -4.72784853      -7.21749067       2.23510766    
 H   -5.67598534      -6.89612627       3.42327738    
 O   -6.68729115      -4.17402411      -3.51467514    
 H   -6.83572960      -3.40714669      -2.92932463    
 H   -6.96107626      -3.91295075      -4.38935375    
 O   -3.79616809      -4.47066832       3.26688218    
 H   -4.39265394      -4.85219526       3.92164087    
 H   -3.67538309      -5.13968658       2.57867885    
 O   -9.87662983      -4.78646755       2.87957098E-02
 H   -9.70135403      -3.83896613       6.31622002E-02
 H   -9.25800991      -5.15286207     -0.618305326    
 O   -9.70972538      -6.39352131       2.20423412    
 H   -10.5903072      -6.66400719       2.45331216    
 H   -9.80896664      -5.80143833       1.43750644    
 O   -3.24845076      -6.53134537       1.41078734    
 H   -3.61675000      -6.75492477      0.542430878    
 H   -2.32881403      -6.28380775       1.26092577    
 O   -9.05051804      -2.05783892      0.275879711    
 H   -8.46566582      -2.24979544       1.02943981    
 H   -9.55929470      -1.28618872      0.511613071    
 O   -4.13900137      -4.65707445      -2.34639478    
 H   -4.22780371      -4.04779148      -1.59757018    
 H   -4.91289234      -4.51483393      -2.90256739    
 O   -1.72343814      -6.02426386      -1.84498382    
 H   -2.28518081      -6.78986406      -1.67852890    
 H   -2.34584618      -5.36431551      -2.18009567    
 O   -7.30339527      -2.84867811       2.21350408    
 H   -7.07188940      -3.67563534       1.76009953    
 H   -6.47029257      -2.37751198       2.35264397    
 O   -6.82531643      -8.42673111      -1.30415893    
 H   -7.20694828      -8.45144176     -0.406797439    
 H   -7.01727104      -9.26787281      -1.70933020    
 O   -1.29423368      -3.37494302       2.45323372    
 H   -1.03463089      -4.02002907       1.78578758    
 H   -2.06153631      -3.75575566       2.90009689    
          69
 Energy    -248.11518270060051     
  O     -6.72216091     -2.10425023      6.05193875
  H     -7.43019676     -1.62383818      6.49731211
  H     -4.85871881      1.66615180      1.37009699
  O     -9.55662760     -2.88033266      2.76436657
  H     -5.92504649     -1.56684543      6.12974071
  H     -6.94240599     -0.39259223      3.14156642
  O     -7.06066657     -3.70656302      3.88765776
  H     -8.76100733     -3.28374732      3.13034966
  H     -7.03737567      0.72110667      4.23660190
  O     -6.24639050      1.62750156      0.08467635
  H     -9.83299032     -2.22677448      3.42115308
  H     -4.05578814     -0.51362102      5.16143143
  O     -6.14016437      1.63069439      5.56184407
  H     -6.79612244     -4.59131031      4.12435009
  H     -3.60100682     -0.56842042      6.64147707
  O     -6.16353216      4.45008948      0.18708950
  H     -6.96102829     -3.16084357      4.68899551
  H    -10.21794255      4.44334897      4.84956149
  O    -11.06372642      0.83470213      0.94720358
  H     -6.25871490      0.71307093     -0.22093847
  H     -9.09707798      3.96667179      3.91157965
  O     -8.92331842     -0.67171470      7.22792919
  H     -7.08329175      1.73079037      0.56524674
  H    -10.82428678      2.16240224      3.90384831
  O     -3.70633919     -0.54102643      3.48608552
  H     -5.44211193      1.01375726      5.81324763
  H    -10.91720581      0.62231666      4.01105204
  O     -9.87308344     -0.76660573      4.58492555
  H     -5.75013567      2.38570095      5.09965345
  H     -6.18875282     -1.63078932      1.38895977
  O     -6.74874533     -1.14882912     -0.33857782
  H     -6.12821594      3.49116859      0.04192153
  H     -6.32619568     -2.48477223      2.70706190
  O     -4.23112478      1.82085644      2.08742999
  H     -6.30102987      4.84479196     -0.67139931
  H     -9.41104620     -1.98326420      1.22085180
  O     -7.52012467      0.27915370      3.52690639
  H    -11.85749990      1.03875757      0.46098396
  H     -9.96320903     -0.70379519      0.55515931
  O     -4.36563400     -0.45360603      6.08435891
  H    -11.25542749      1.01427992      1.88592271
  H     -9.07948904      2.52308088      6.00186513
  O     -9.75013757      3.66215305      4.55898765
  H     -9.30342705     -0.79564433      8.09332845
  H     -7.71406857      1.91738180      6.36838174
  O    -11.30580622      1.39525802      3.57580121
  H     -8.86190860      0.28999567      7.08342519
  H     -4.53115806      4.76104225      1.23196703
  O     -5.94017812     -1.68849599      2.31907223
  H     -3.70933741      0.29887532      3.00811464
  H     -3.56583629      3.71611978      1.77871864
  O     -9.29741038     -1.39222812      0.46081037
  H     -4.39611888     -1.06741072      3.05798884
  H     -6.30022273      3.90188739      3.54352045
  O     -8.64165915      1.95924049      6.64732908
  H     -9.70895187     -0.85218193      5.53087592
  H     -4.79309131      4.21224357      3.39127772
  O     -3.80271290      4.64937236      1.85588955
  H     -9.04644650     -0.43046425      4.20481030
  H     -9.40659739      1.53850171      1.25742834
  O     -5.42806247      3.69318058      3.90376650
  H     -6.62140906     -1.71050485     -1.09843782
  H     -8.24111652      1.24038682      2.26045748
  O     -8.53849197      1.83430368      1.55259438
  H     -7.69208519     -1.21630502     -0.09639555
  H     -8.17388068      3.38734786      2.21315245
  O     -7.84965397      4.23984066      2.55060410
  H     -4.70845148      2.34142490      2.74721852
  H     -7.35087491      4.60994746      1.81435506
          69
 Energy    -248.11510556231514     
  O     13.59655626      1.44796648    -14.76401216
  H     14.21718949      1.36299948    -15.49648249
  H     18.88582560      5.43091613    -18.88196192
  O     19.96594342      7.84233180    -16.74524975
  H     14.09684995      1.84139658    -14.03376931
  H     14.67698359      3.63261229    -12.41899590
  O     14.01617489      5.22120943    -11.68480389
  H     19.11936813      8.27835301    -16.90308039
  H     15.38958165      3.45263170    -13.77887959
  O     14.22411277      5.02855925    -19.73630667
  H     19.86777829      7.35801986    -15.91595597
  H     17.00658479      3.55924732    -19.14983866
  O     18.72556971      4.90318745    -12.07784996
  H     14.84087027      5.72529006    -11.81238322
  H     15.55344401      3.56695930    -19.62416282
  O     14.80455942      6.65108091    -15.77341685
  H     13.68708302      5.44783076    -10.81939513
  H     19.20959863      5.86589401    -13.61786401
  O     18.60766583      4.08816517    -16.08157906
  H     13.75601303      4.56898789    -19.01573546
  H     19.10015202      5.47296763    -15.10101061
  O     15.50795716      1.97350693    -16.87055256
  H     13.60851550      5.09889094    -20.46107866
  H     17.76444449      7.30879445    -14.52744818
  O     17.84231543      2.46774689    -12.93323172
  H     19.26345770      4.76650171    -11.30213259
  H     17.07442079      8.41648949    -15.34413651
  O     17.32544584      8.88302370    -17.20282774
  H     18.45624100      4.02097214    -12.38822329
  H     12.36917269      4.97594594    -14.52493325
  O     15.92396644      4.17766348    -15.31625603
  H     15.45269032      7.11585588    -15.22678881
  H     13.10346604      5.59378178    -13.30913403
  O     18.08085515      4.96164173    -18.61753351
  H     14.02075674      6.45734035    -15.23736150
  H     12.57432761      3.60691646    -16.95753885
  O     15.10580407      2.97654871    -12.98071343
  H     18.48404014      4.33210341    -17.01135187
  H     13.81914202      2.89805055    -17.50686518
  O     16.24502820      2.98033479    -19.29713674
  H     18.59103421      3.12746840    -16.01148298
  H     18.34777334      0.51184973    -15.91787499
  O     19.22720834      6.23149903    -14.51024411
  H     15.57735872      2.78693294    -16.34191462
  H     17.11544842      1.42274748    -16.08742499
  O     16.97994249      7.87793644    -14.54950917
  H     15.79339482      2.19840676    -17.77075765
  H     15.44897755      6.70152736    -17.41098033
  O     12.77825774      5.78648916    -14.19704763
  H     17.96636558      2.02299498    -13.77755575
  H     15.34121069      6.26315116    -18.88786401
  O     13.15398775      3.55859492    -17.72655891
  H     16.88406403      2.52506017    -12.80595448
  H     17.14904137      5.96860542    -12.05373475
  O     17.98073857      1.35314404    -15.65565290
  H     17.11047423      9.70432227    -17.63877068
  H     16.50203634      7.11694164    -12.85891606
  O     15.90732937      6.73726621    -18.26612932
  H     16.85083468      8.18414465    -17.68137138
  H     20.31309517      6.93816694    -18.23051483
  O     16.35038003      6.50568685    -12.12839910
  H     16.86933860      4.26646523    -15.49068315
  H     21.23070437      6.52040835    -19.39441181
  O     20.35242458      6.40549074    -19.04325960
  H     15.49756292      5.02196684    -15.50738972
  H     10.84326252      3.02497377    -15.17713703
  O     11.72825388      3.36658729    -15.27637418
  H     17.38075387      5.61728659    -18.49853105
  H     12.33533975      2.63866967    -15.05497293
          69
 Energy    -248.11493779163754     
  O      0.30843983     11.39438719      1.50877178
  H      0.09715132     11.60179605      0.58289289
  H     -3.16908438     12.29727542      1.73528816
  O     -0.08782921     16.06736992      0.40074443
  H     -0.28172188     11.94875252      2.03415850
  H      4.47047904      8.28390643      1.89413621
  O     -2.14951340     10.95333630     -2.72294876
  H     -0.86529859     15.58617971      0.09521547
  H      4.26054176      9.77979033      1.55455542
  O     -3.33069196      9.78643219     -0.42478620
  H      0.53817409     16.06407796     -0.33871277
  H     -0.24737551      8.45247882     -0.19148176
  O      3.44459388     13.73063885     -0.83958245
  H     -2.70369842     10.57775886     -2.02584194
  H     -0.89214349      8.29358421     -1.58074926
  O      4.67565636     11.45376274      1.79928487
  H     -1.61734026     10.22974659     -3.07981756
  H      3.84356248      9.57349613     -1.87241981
  O      5.72284206     12.09811922     -0.79822343
  H     -4.07887075      9.19595481     -0.37471732
  H      4.53103911      9.25015791     -0.53357723
  O      1.39286469      9.14338952      0.38465375
  H     -2.53366654      9.22832003     -0.39033377
  H     -2.19257781     12.81609811     -3.21024558
  O     -0.25324995     12.11255302     -1.03364319
  H      4.30051516     13.28491111     -0.86859718
  H     -2.21916618     14.08843093     -2.34571046
  O      0.51035188     14.41064474     -3.99998416
  H      3.08514341     13.58764406      0.04770854
  H      1.99237001     10.62172839     -2.50758359
  O      2.45094824     13.17831467      1.71286136
  H      5.15699155     11.74451382      1.01496323
  H      1.75618809      9.55279272     -1.38231516
  O     -3.63186873     12.29357598      0.89321380
  H      3.95416132     12.08604811      1.91585244
  H      0.47987763      9.08822828     -3.09920576
  O      4.03601115      8.87155565      1.28208347
  H      5.38566218     11.23336083     -1.09311236
  H     -0.29106094      8.22783664     -4.12634217
  O     -1.08767034      8.28066926     -0.63625344
  H      6.61823709     12.16898802     -1.11778725
  H     -1.31926016     13.52055218     -0.59408869
  O      4.67928616      9.65477240     -1.39794897
  H      2.26252197      8.94243491      0.75108794
  H     -2.75972312     13.59548879     -0.02751245
  O     -2.03461911     13.76908720     -3.23670187
  H      1.03041741      9.87683595      0.90342442
  H      1.01336923     15.98574401      3.35477541
  O      1.96432573      9.67071891     -2.32147879
  H     -0.90067327     11.66700918     -1.59505444
  H      0.54418645     15.61260635      1.92634647
  O     -0.40912700      8.81690936     -3.38561875
  H      0.52638001     12.27380945     -1.57852202
  H     -0.63170740     14.03208478      2.79671577
  O     -2.02645013     14.13930806     -0.35222068
  H      0.49230723     14.83214320     -4.85530966
  H     -1.57671782     13.76834546      1.62644280
  O      0.86312521     15.24601754      2.77306054
  H     -0.41332354     14.21378482     -3.76681064
  H      2.52153270     12.86815049     -2.09473111
  O     -1.31642022     13.42371604      2.48890673
  H      1.76488047     12.49958706      1.65070781
  H      1.52088753     13.05059351     -3.28163370
  O      1.93570464     12.39588201     -2.70493807
  H      2.03578832     13.93744773      2.14035657
  H      1.28767724     15.40866027     -2.51312073
  O      1.66662388     15.78365279     -1.71034078
  H     -3.51368099     11.41079201      0.51795484
  H      2.38317463     15.19235426     -1.44639920
          69
 Energy    -248.11490433940941     
  O     14.19322411     14.11731134    -12.28309331
  H     13.41140344     14.15668077    -12.84429639
  H     12.70415592     10.51304449    -12.86038734
  O     14.02628523     10.74366072    -17.56744917
  H     14.64482172     13.29825365    -12.54061551
  H     13.31750147     13.44560077    -15.71192841
  O     15.35479319      8.13171127    -12.36176785
  H     13.95518527     11.63429104    -17.17850548
  H     14.82006084     13.35631429    -16.08764535
  O     18.09707984     13.89190049    -11.10167394
  H     13.94122734     10.84928178    -18.51107257
  H     11.20193551     13.80495444    -14.25393398
  O     12.89835601      9.04000308    -15.66404357
  H     16.06602629      8.72880094    -12.09810162
  H     12.20859648     12.65870720    -13.99750133
  O     14.10543470      5.68229492    -11.83240585
  H     14.54088679      8.59515922    -12.12132206
  H     18.77623849     11.62352886    -13.54112462
  O     13.78606722      5.13248250    -14.48665436
  H     18.42532530     13.15231972    -11.64269357
  H     18.29063147     11.11700188    -12.16607127
  O     15.30788089     11.75437181    -13.32564853
  H     18.85442015     14.25436709    -10.64910500
  H     15.68020578     10.12213314    -16.77869490
  O     13.12867319      9.57389214    -11.40644037
  H     13.68663408      8.51934968    -15.44989890
  H     16.12365028      8.93018251    -15.91152017
  O     15.17525915      7.55071205    -15.04144180
  H     13.14796731      9.59680860    -16.41280415
  H     11.88707080      7.75683503    -14.68047808
  O     18.41939215     11.39172135    -15.41368560
  H     13.27483439      6.05222180    -11.51017700
  H     12.27570630      6.31533770    -14.31642413
  O     12.63245158     10.96890858    -13.71131372
  H     14.70388764      6.43907030    -11.91186315
  H     14.91006216     10.57302805     -8.50394681
  O     13.92469285     13.16526729    -16.40456417
  H     13.84372340      4.20551178    -14.70105865
  H     15.01884318     11.66371956     -9.59309796
  O     12.13306231     13.61228244    -14.17936735
  H     13.93515157      5.21002292    -13.52718625
  H     17.22473101     14.83214961    -12.50344856
  O     18.88101057     11.75549690    -12.59189452
  H     14.43919897     11.43325019    -13.59690183
  H     15.75716913     15.04527544    -12.89683537
  O     16.43219786      9.76022166    -16.29568737
  H     15.69757161     12.23259407    -14.06909868
  H     16.28987046     10.83976931    -12.16968212
  O     11.66854178      7.02967940    -14.08456630
  H     12.59094604      8.80794277    -11.16692322
  H     16.28181307     10.39652914    -10.69221240
  O     14.81748671     10.72183656     -9.44137460
  H     13.59048214      9.92010387    -10.63187004
  H     11.60186145      7.16048949    -12.33757373
  O     16.66200567     15.15919492    -13.21638580
  H     15.31783877      7.78260390    -14.11082626
  H     10.83809702      6.88860661    -11.01993947
  O     16.77732700     10.31094017    -11.51383803
  H     14.81307491      6.65705927    -15.03694849
  H     14.94043555     13.70469772    -10.62233759
  O     11.67568040      7.18541597    -11.36548539
  H     19.16116585     11.27216936    -16.00152641
  H     16.42175229     13.46420150    -10.27829687
  O     15.52262875     13.27210721     -9.98338178
  H     17.73203856     10.76697973    -15.70726223
  H     16.63313341     14.08370171    -14.64453286
  O     16.44746480     13.39275966    -15.29930154
  H     12.65435607     10.29882968    -14.40765799
  H     17.23745528     12.85093364    -15.40983260
          69
 Energy    -248.11488061188490     
  O     11.57758063      9.89208121    -14.91549947
  H     11.40221043      9.51972859    -14.04258184
  H     15.61993920     12.12086173    -16.45096068
  O     15.84592273      6.16365967    -13.46071319
  H     11.95970235     10.76709122    -14.77511516
  H     14.42083154      8.51386281    -15.34648697
  O     16.98748188     10.22845470    -11.63403052
  H     16.57197904      6.61872853    -13.01156136
  H     15.21426408      7.74898555    -14.23492868
  O     17.46426108     11.95803228    -16.21509920
  H     15.29281432      5.76998953    -12.77688514
  H     11.55613960      7.73926040    -12.71972686
  O     13.08111338      5.66433494    -15.95608744
  H     16.61980410     10.06823100    -10.75713197
  H     10.28379485      8.37285497    -12.11105334
  O     14.78168318     10.80473587    -13.14606583
  H     16.23950319     10.52235544    -12.17818408
  H     15.82755642      7.67092415     -9.71901063
  O     17.15544404      9.89874186    -18.18526067
  H     17.79302356     11.51707484    -15.41332679
  H     16.80533832      6.95164694    -10.66338694
  O     14.22386057      5.27909026    -11.35762189
  H     18.03055088     12.71347107    -16.35449492
  H     12.60969936      6.01981192    -14.10741937
  O     17.33695136      7.91547872    -16.31896843
  H     14.04182913      5.57103922    -16.08590632
  H     12.93456560      5.90433739    -12.58819705
  O     15.78623368      5.51518330    -16.13276462
  H     12.67266292      4.92499407    -16.39916751
  H     18.09344058     10.67180441    -13.13947873
  O     19.35695340      8.01627976    -14.49532687
  H     14.90910537     10.04861281    -13.74026680
  H     18.89011995      9.85267784    -14.17409205
  O     14.67634627     12.15349665    -16.65437097
  H     14.19583550     11.42656400    -13.59135640
  H     18.47266426      7.65783554    -12.88328816
  O     15.14283700      8.58842064    -14.70889151
  H     16.20989813      9.91612211    -18.38111499
  H     17.53522519      8.51629419    -12.00188314
  O     11.15981217      8.57971144    -12.42618446
  H     17.31682493     10.63787252    -17.58415838
  H     15.26326824      9.88737703     -8.52077189
  O     16.06145744      6.80071685    -10.06689744
  H     14.81496707      5.83468575    -10.81813878
  H     14.61813387      9.54400605     -9.88585892
  O     12.31598673      6.27954067    -13.22725713
  H     14.18405357      4.42916495    -10.92667946
  H     13.79374954      9.97775756    -19.25997052
  O     18.49417391     10.71777406    -14.01569533
  H     17.37035558      8.52613732    -17.06876363
  H     13.86119221      9.37582361    -17.83920834
  O     17.82285812      7.60720882    -12.17134075
  H     16.61294629      8.22259300    -15.75449357
  H     12.54508167      9.32771342    -11.38271616
  O     15.43298902      9.46072432     -9.35593013
  H     16.35947971      6.21674668    -16.46291541
  H     13.78675359     10.15067872    -11.75719538
  O     14.30571647      9.98278209    -18.45502039
  H     15.88600986      5.56259446    -15.16916764
  H     13.55452477     12.34399015    -15.38470322
  O     13.32882695      9.74380831    -11.00829179
  H     20.17989604      7.69325646    -14.85222674
  H     12.64787141     13.25673420    -14.52062859
  O     12.96625844     12.36276592    -14.60668018
  H     18.68742207      7.91582169    -15.19476949
  H     12.94146841      7.45556343    -16.45388445
  O     13.07714186      8.39931917    -16.59784137
  H     14.51796040     11.47471822    -17.32111771
  H     12.45445950      8.89570683    -16.04075800
          69
 Energy    -248.11486739215002     
  O      9.73965501     11.47909525    -11.68380827
  H     10.46744892     11.75585386    -11.10553345
  H     12.03217657     11.78675517    -18.22601791
  O     14.18879513     10.31824119    -13.07527483
  H      8.94025560     11.53812220    -11.16550180
  H     14.40841177     14.09330921    -15.37921219
  O     17.40068612     12.64258007    -13.70896804
  H     14.08129701      9.93891062    -13.95591631
  H     14.32329156     13.41832844    -13.97929601
  O     15.08636919      7.32794010    -11.57536042
  H     15.12693878     10.26665055    -12.84656483
  H     18.89849459     10.87599703    -16.46580468
  O     10.88479669     12.53529038    -14.02403925
  H     16.61047547     13.09845986    -14.02561873
  H     17.99934462     10.08319728    -15.48617673
  O     13.35196776     14.88044006    -16.70429776
  H     17.75558218     12.17709730    -14.47692775
  H     11.91587198     12.96089746     -9.38887018
  O     15.36499813     11.32460882    -16.40654849
  H     15.27676085      7.20610855    -12.51195181
  H     12.45804829     11.59738103     -9.88176254
  O     13.36386805     10.18375402     -9.56378639
  H     14.14211737      7.53862790    -11.53555793
  H     17.47088329      9.19512638    -13.66807853
  O     13.24981121     12.81481680    -12.62228983
  H     11.74062924     12.71938964    -13.61137126
  H     16.96975383      8.05345679    -14.56719851
  O     13.86177309      9.17002736    -15.57757202
  H     10.30717042     12.25006162    -13.30674909
  H     11.19649754     11.02164196    -15.03398809
  O     16.07373211      9.25473291     -9.89264138
  H     12.42794190     14.58948316    -16.60293355
  H     11.14582408     10.52889370    -16.49118921
  O     11.11562332     11.48203625    -18.09711511
  H     13.32432845     15.78925232    -16.99145902
  H     15.10295904      6.25572273    -14.88031910
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  H     15.18035770     12.05087590    -15.79338656
  H     14.75702915      7.75843595    -14.90464156
  O     18.09050890     10.92839828    -15.96324726
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  H     13.61281734     13.36225992    -17.88600305
  O     11.92012060     12.36986427    -10.13708119
  H     14.30782702      9.99078919     -9.55946110
  H     14.30075207     11.99566000    -17.76305381
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  H     12.97105903      9.52814587    -10.15950908
  H     10.04558719      9.81419020    -12.67630334
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  H     12.88211555     12.83090332    -11.73250354
  H     10.54638843      9.29040440    -14.03984978
  O     15.32167059      7.09307238    -14.47787806
  H     13.58961880     11.91406215    -12.75912079
  H     16.77174286     10.19701428    -11.43045600
  O     13.63465566     12.47801278    -18.27137518
  H     12.93614243      9.44592522    -15.62965868
  H     17.09341331     11.21367115    -12.61960075
  O     10.31449718      9.01470397    -13.14455228
  H     14.40068575      9.87081011    -15.97495660
  H     10.74427317     13.48318268    -15.59007152
  O     16.85830429     10.30399674    -12.38326555
  H     15.78707501      8.52560118    -10.47337569
  H     10.77982390     13.10578681    -17.08275653
  O     10.84954249     13.85389178    -16.47758378
  H     16.58772934      8.85730370     -9.19435709
  H     13.15680167      9.17713141    -12.12653096
  O     12.59012236      8.54963973    -11.65017720
  H     10.77068993     11.27382424    -18.96101472
  H     11.74929400      8.54327533    -12.12462437
          69
 Energy    -248.11482100002473     
  O      4.17009913     -2.83842464     -1.45848643
  H      3.87693019     -2.39513466     -2.26701952
  H      0.01161833     -3.23221463      0.10394381
  O     -2.96737594     -3.33912633     -0.35655173
  H      3.99225415     -2.22106669     -0.73766688
  H     -0.13940642     -5.87371437     -2.43272248
  O     -1.30312516     -1.92130639      2.58465236
  H     -3.07349179     -3.78078189     -1.21368978
  H     -0.46303692     -6.58006773     -3.77171642
  O      1.93113395      0.38462493      2.56702481
  H     -2.11302696     -3.61308203     -0.00335213
  H     -2.18663321     -4.81209947     -3.10725407
  O      0.81403559     -2.17856363     -1.01096884
  H     -2.26407689     -1.99534035      2.55512743
  H     -3.03956070     -3.56620910     -3.47779988
  O      3.02484888     -1.58379768     -3.67084733
  H     -1.07511939     -1.09465777      2.13145893
  H     -0.45591719      0.47068506      0.35856328
  O      2.22593219     -3.91014218      1.88903031
  H      2.39925183      0.99228561      3.13359667
  H      0.25224456      0.59231947      1.73426232
  O     -3.43315978      0.49538452      0.74849157
  H      1.74084510     -0.40915978      3.09895944
  H      0.82327714     -2.99300438     -2.66782741
  O     -0.55740130     -1.26047236     -4.90386525
  H      1.64609227     -1.95672771     -0.57339072
  H      0.39210987     -4.17205329     -3.58326923
  O     -4.02720984     -2.10607456      1.87070859
  H      0.37189978     -1.33815290     -1.19068373
  H      0.45213176      0.00384752     -4.30267242
  O      3.35907852     -5.18065129     -0.37490316
  H      2.36370891     -2.27243521     -3.82728177
  H      1.21944497      1.34316623     -4.42480063
  O     -0.40587606     -3.79481487      0.77992044
  H      2.52729872     -0.75993845     -3.67406989
  H      1.57572752     -5.67714232     -0.77262554
  O     -0.55308918     -5.75263560     -3.30638262
  H      2.72527490     -4.43770516      1.25162067
  H      0.17952419     -5.32103004     -0.22218425
  O     -2.98281177     -4.31762321     -2.87608650
  H      1.30406814     -3.98027145      1.60858663
  H     -2.89331088     -1.68965418     -1.22163544
  O     -0.60568183      0.45322639      1.31494670
  H     -3.74733594     -0.27430673      1.23905711
  H     -3.23101281     -0.21934780     -0.90547721
  O      0.79890166     -3.29900173     -3.58648468
  H     -2.53549976      0.66244615      1.06334786
  H     -3.22103874     -1.32350048     -3.30942263
  O      1.03239792      0.62580837     -3.82513772
  H     -1.50065997     -1.40653921     -4.77321191
  H     -4.07373823     -1.46751034     -4.59005538
  O      0.63362196     -5.86246226     -0.87840921
  H     -0.11212005     -2.03814718     -4.53656277
  H     -1.25885151     -0.03784933     -1.68215283
  O     -2.94648099     -0.80940865     -1.61867297
  H     -4.83455816     -2.49800676      2.19368750
  H      0.10007117      0.50776908     -2.25569384
  O     -3.26009083     -1.75258385     -4.18094659
  H     -3.78114882     -2.59275610      1.06557796
  H      0.32457156     -2.02519317      3.56735666
  O     -0.37012576      0.26346491     -1.44760420
  H      4.07561297     -5.80771650     -0.43053462
  H      1.69041768     -2.71716222      3.35994033
  O      1.26524079     -1.96128126      3.78258205
  H      3.65848799     -4.37692086     -0.83710699
  H      2.79479791     -2.26898071      1.19203606
  O      2.96442787     -1.47372683      0.66697565
  H     -0.72559735     -3.20739545      1.48014258
  H      2.70732750     -0.72537661      1.21623438
          69
 Energy    -248.11480467911218     
  O     14.24933366      9.84994661    -10.69682868
  H     14.17782435     10.37463866    -11.50637085
  H     17.82883571      5.44307619    -11.17211266
  O     13.48121871     10.19281141    -16.72515512
  H     14.95625832     10.21367524    -10.14985058
  H     12.14419373      7.54400630    -10.79761212
  O     16.86799008     10.62336555    -13.74782048
  H     13.46810474     11.07672644    -16.33716572
  H     13.03703683      8.61996695    -10.14763495
  O     13.24010245      5.12599672    -13.18002291
  H     13.20253639      9.59181876    -16.02289193
  H     18.48306982      7.56553047    -14.53000875
  O     16.85352905      7.82559171     -8.70597388
  H     15.93676920     10.70148295    -13.50430695
  H     18.53166678      6.10839993    -14.05577093
  O     16.46654104     12.18936789    -16.03951779
  H     17.37756908     10.54243985    -12.92987586
  H     14.82335108     12.62616327    -15.63534897
  O     15.39418951      7.54806636    -11.83287848
  H     13.72621118      4.89857509    -12.37438159
  H     13.62045292     13.59726293    -15.54092202
  O     14.10773362     10.88772999    -13.23738219
  H     13.89108498      5.48253106    -13.79521371
  H     13.79001825      7.94249368    -14.54070083
  O     18.06373219      7.25858140    -11.32629865
  H     16.05512830      7.28574831     -8.64830773
  H     12.44199606      8.17257946    -13.81605419
  O     18.13431936     10.18075550    -11.35437606
  H     17.36508456      7.50578827     -9.45734734
  H     15.99731966      9.76929252    -18.65705760
  O     17.30818895      4.68818892    -14.08064409
  H     16.45099212     11.49940018    -16.71396288
  H     15.08125030      9.94373984    -17.42236209
  O     17.51759899      4.52408661    -11.16115338
  H     16.78806052     11.75900927    -15.23433763
  H     10.59576413      6.85084735    -12.69809627
  O     12.57689300      7.78605629     -9.97111106
  H     15.02585448      6.74629746    -11.43907084
  H     12.05336636      6.33703131    -12.77990408
  O     18.91085986      6.98354707    -13.89038238
  H     14.97032808      8.31417024    -11.42788152
  H     13.66343025      6.88842720     -8.96717998
  O     13.88776616     12.69842711    -15.37149994
  H     13.72844406     10.09194572    -13.63854255
  H     14.00232399      6.16340640     -7.64143490
  O     13.07525933      8.58097593    -14.41888886
  H     13.95088274     11.61151035    -13.85624592
  H     15.70173470      4.67992637    -10.89652629
  O     16.00947149      9.88568498    -17.71088208
  H     17.13023096      7.44825242    -11.51686939
  H     14.61109496      5.27386984     -9.95399334
  O     11.50354554      7.11125863    -12.56174586
  H     18.50686978      7.20362169    -12.18976309
  H     15.90473698      7.29865323    -14.93943803
  O     14.35476944      6.38398161     -8.49966394
  H     17.62655910     10.40673958    -10.56571180
  H     15.33124705      7.06488143    -13.52110069
  O     14.77966858      4.96730943    -10.85451937
  H     18.32951350      9.24038649    -11.28135754
  H     16.60274135      9.55482291     -8.83600569
  O     15.26283440      6.76896912    -14.44389491
  H     16.54479208      5.25210374    -14.25247417
  H     16.61912729     11.00388645     -8.28669823
  O     16.44435269     10.48743997     -9.06879666
  H     17.27605690      4.46986160    -13.14255204
  H     16.84027582      8.89161376    -16.35477958
  O     17.10665519      8.51705705    -15.50697313
  H     18.23514388      3.99392816    -10.82196791
  H     17.06155675      9.24275278    -14.86511590
          69
 Energy    -248.11473461866007     
  O     16.12563633     11.37602348     -9.10475318
  H     16.47954522     11.88319166     -8.37951587
  H     14.17328274      6.22842033    -15.15969990
  O     12.59474367      6.07410134    -11.57222697
  H     16.73918055     10.63379043     -9.25713001
  H     17.85390166      6.00717664    -15.37652660
  O     17.38431966      9.94261648    -12.42673333
  H     13.17706320      6.39914284    -10.87014272
  H     16.40070433      5.99273510    -14.85350014
  O     17.39060439      9.04607535    -15.02734790
  H     13.10642696      5.40481758    -12.04066882
  H     14.98049966      7.84130315    -11.59199447
  O     14.49895769      7.19764287     -9.91386672
  H     17.52724102      9.76364048    -13.36608899
  H     15.94863007      8.78266532    -12.38673685
  O     14.84178252      9.62905988    -16.11253254
  H     16.81304738     10.71871928    -12.34452532
  H     13.37869853     10.04553215    -10.10660186
  O     14.17154225     11.67036008    -14.38658539
  H     17.36461865      8.09794613    -14.82915585
  H     14.53114770     10.36324776     -9.13065884
  O     15.79588789      5.82698180    -17.80913903
  H     16.52468477      9.28345908    -15.38500113
  H     14.21074371      3.29329780    -12.96970105
  O     11.32404288      8.12591000    -12.79411020
  H     14.26765746      8.06411829     -9.54606887
  H     14.45389832      4.56123320    -13.81677387
  O     16.85001665      5.36929443    -11.98454070
  H     15.38150026      6.95824584     -9.60898606
  H     13.86429854      9.61018378    -12.18750982
  O     13.50448189      7.77861537    -14.56283805
  H     14.64162145     10.45531387    -15.65083723
  H     12.33612869      9.67836688    -12.27303552
  O     14.69376531      5.43224384    -15.34047892
  H     14.30671360      8.94775364    -15.68087755
  H     17.14373207      6.09430686    -10.43918130
  O     17.29919581      6.27500900    -14.63251636
  H     13.56570357     11.20976727    -13.79292529
  H     17.66717713      5.91443268     -8.99491326
  O     15.09893066      8.32733507    -12.41814521
  H     14.80719039     12.08574136    -13.79456657
  H     18.63651518      6.74049607    -17.33049910
  O     13.78111688      9.77180455     -9.27515600
  H     15.70588636      6.73328553    -18.12844911
  H     19.37774845      5.38596897    -17.44223964
  O     14.35648906      4.23443283    -12.90627850
  H     16.74203255      5.68924063    -17.67667024
  H     17.80049965      9.48237817    -10.70308335
  O     13.11385189     10.21924088    -12.08911347
  H     11.72388759      7.37130851    -12.32199211
  H     17.62777712      8.36721535     -9.64461675
  O     17.20636866      6.52308374     -9.56614688
  H     10.38184350      7.98249640    -12.79168760
  H     15.28944759      9.05359370    -19.25609993
  O     18.59049380      5.79618144    -17.09552630
  H     17.16165435      5.71581939    -12.83010799
  H     15.35569504      9.03988992    -17.71284587
  O     17.74751898      9.31772260     -9.75022169
  H     16.00946541      4.93699816    -12.17571939
  H     14.59906970     11.50809615    -11.82193327
  O     15.70548445      8.61858665    -18.51598870
  H     12.63345946      7.88039432    -14.16398609
  H     15.73054481     11.90385428    -10.86400524
  O     15.47143890     11.92053316    -11.79568550
  H     14.13923035      7.89750118    -13.83616814
  H     17.57826653      8.57603022    -18.07033377
  O     18.41460357      8.45974845    -17.60179696
  H     14.97684724      5.47109683    -16.26586902
  H     18.25593358      8.81058618    -16.71497709
          69
 Energy    -248.11472844999835     
  O     17.69506117     10.31715202    -14.97218897
  H     17.32946657     10.13212982    -14.09226536
  H     12.86406899     11.47376815     -9.55776265
  O     14.44160904      6.95977543    -10.38781153
  H     17.95773557     11.24487189    -14.98460640
  H     18.78096558      5.05855544    -13.74098778
  O     18.54292860     12.96968174    -14.69829175
  H     14.29396817      6.07974076    -10.05234282
  H     19.04332710      3.58627980    -14.12887344
  O     12.77149485      8.74734209    -11.88018357
  H     15.07278980      6.87839806    -11.12470123
  H     16.17175373      7.93607729    -12.68399726
  O     15.44469343      9.10499431    -16.09797885
  H     18.91925683     13.61725948    -15.28765061
  H     15.94064000      6.50358674    -13.32801816
  O     19.62853699      8.36928588    -14.70925853
  H     19.24106919     12.72313480    -14.06314296
  H     18.93731250      5.58715821    -15.90679213
  O     21.39724784      9.57624680    -13.00950989
  H     13.24590168      8.04857687    -11.41462913
  H     18.10734208      6.53009489    -16.79721959
  O     18.84994843      6.53813391    -12.70962663
  H     12.80598022      9.51373933    -11.29381765
  H     18.71789215     13.31444315     -9.92157222
  O     16.81405470     13.34632731    -12.45234874
  H     14.72596181      9.31375899    -15.49154403
  H     17.91439605     12.90937544    -11.18168655
  O     13.27414539      9.80266528    -14.33605954
  H     16.21954920      9.59796143    -15.79501203
  H     15.94765114      7.63512844    -16.83197424
  O     14.54858631     11.69902761    -12.67206718
  H     19.51744687      7.70356749    -15.40357719
  H     15.86077968      6.67298890    -18.03965367
  O     13.34463140     11.02445152    -10.24692480
  H     18.97517815      9.06421652    -14.87172701
  H     17.01215871      9.78235288    -11.74954121
  O     18.61262027      4.38500730    -14.42153501
  H     20.83294310      9.13711192    -13.66907848
  H     15.82296240     10.37285121    -12.56201090
  O     16.11200526      6.98679170    -12.50546799
  H     22.30011997      9.38313086    -13.25010248
  H     20.70793877     11.31069919    -12.82875618
  O     19.00121907      6.37049960    -16.46673518
  H     19.10031335      7.19286406    -13.37823462
  H     19.84977315     12.26983387    -11.95831183
  O     18.59177895     12.60755668    -10.54899429
  H     17.90603556      6.66365924    -12.53410362
  H     18.13088912     10.86263438    -10.19164020
  O     16.26766475      6.78516358    -17.18501212
  H     15.98250907     12.87054233    -12.57654731
  H     18.60458196      9.37611652    -10.29094732
  O     16.52746217      9.71374870    -12.58363249
  H     17.28592438     13.30535005    -13.29319517
  H     19.63113528      7.60059382    -11.32791447
  O     20.29940871     12.18463159    -12.80791786
  H     12.44091821      9.87411230    -14.79612312
  H     20.55069854      8.81992658    -11.45723443
  O     17.83143101      9.94500034    -10.15918549
  H     13.09054086      9.32393608    -13.50832224
  H     16.17508503      9.58167177     -9.42339202
  O     19.96330247      8.36576637    -10.84113124
  H     14.09010691     11.57405838    -11.82892023
  H     15.02805290      8.54021909     -9.50073841
  O     15.24509912      9.43325757     -9.20500888
  H     14.05983804     11.20229062    -13.34059152
  H     15.96252306      5.83507986    -15.59670841
  O     15.94261063      5.41452384    -14.72778532
  H     14.04381186     10.50231640     -9.81104869
  H     16.76361711      4.91127690    -14.66285832
          69
 Energy    -248.11466694093016     
  O     17.96893556     10.02245894    -10.91917217
  H     17.10977943      9.77996179    -10.53098010
  H     16.45806963      4.83158947    -15.45795031
  O     17.70114406      7.44050142    -14.36262689
  H     18.35296401     10.68117715    -10.34644345
  H     12.73383377      6.28144401    -13.55840579
  O     13.97977845      3.64199439    -12.20593584
  H     16.91747747      7.42650916    -13.78764031
  H     13.50676988      4.94173091    -13.37316387
  O     13.95242100      1.21829130    -13.62571091
  H     17.78908802      6.53495154    -14.68888263
  H     14.81881236      6.65583681    -13.25108558
  O     15.75307921      8.51081309    -16.27215747
  H     13.81365295      2.78061932    -12.60909696
  H     14.99890967      7.99791439    -12.50134117
  O     14.81520096     10.57420608    -14.46466918
  H     14.94242152      3.74920600    -12.20850028
  H     18.87993096      7.52116334    -12.71410094
  O     12.96192452      5.70731428    -10.52032052
  H     13.36247668      0.48332566    -13.76866077
  H     18.85038638      8.44406572    -11.47738549
  O     16.80695897      1.20409918    -13.09629552
  H     14.24051437      1.52135445    -14.50633353
  H     13.99887566      9.82929213    -12.97258179
  O     17.37455047     10.22513856    -13.66580818
  H     15.32906429      9.17635285    -15.71950452
  H     13.03335661      8.81346454    -12.25843757
  O     14.94111357      2.10453909    -15.98897172
  H     16.47973963      8.15298031    -15.75093312
  H     14.72769815      5.47039567    -16.93790795
  O     17.79287654      1.98622637    -15.51828770
  H     15.74493746     10.54172324    -14.17166577
  H     14.22001825      5.21091812    -15.48571823
  O     17.31981069      4.73790486    -15.02359286
  H     14.68171047     11.43243801    -14.85922665
  H     15.05521577      7.47258178    -17.51359750
  O     13.40361949      5.71149447    -13.95349127
  H     13.66062784      6.00979503     -9.92814564
  H     14.97312546      7.05687041    -18.99374520
  O     15.46619705      7.20550127    -12.79204267
  H     13.28548482      4.90752425    -10.95518697
  H     12.17598183      6.80809305    -11.60225541
  O     19.14000123      7.57498186    -11.78742768
  H     15.86058293      1.03632290    -13.17694682
  H     10.86897688      7.41162648    -12.17554804
  O     13.81514642      9.36892386    -12.14245494
  H     16.87568746      2.07746155    -12.68341413
  H     16.42420168      6.49653810    -11.45985844
  O     14.79924546      4.87168709    -16.18155939
  H     17.60244003     10.24196002    -12.72714535
  H     17.89030371      6.54837718    -10.98269740
  O     14.69886057      6.79850385    -18.11819568
  H     17.69751669      9.38303368    -14.00643443
  H     14.84561296      9.46230813    -10.61870425
  O     11.81376399      7.38564099    -12.30057763
  H     14.79443947      3.04623756    -16.15766843
  H     15.33474917      8.50047319     -9.51121987
  O     17.03680333      6.13132243    -10.80050458
  H     15.89809024      1.98733222    -15.99343949
  H     15.35094066      6.37020992     -8.04166840
  O     15.52894258      9.33851208     -9.94528367
  H     17.52336455      1.62453095    -14.65515055
  H     15.89432785      6.40214475     -9.48992916
  O     15.14407919      6.66082142     -8.92664846
  H     18.48451423      1.42004493    -15.84960896
  H     16.95290643      4.24890506    -13.26345906
  O     16.73637267      3.89949655    -12.38821613
  H     17.64826738      3.86361677    -15.26769932
  H     16.97582925      4.57252522    -11.73915896
          69
 Ord_Energy   -248.114441    
 O   -2.22136354       3.48588324       5.64319658    
 H   -1.65837562       4.09644651       6.14088392    
 H   -3.08569360       3.48777986       6.07267094    
 O   -2.52002764       4.09028578       9.20034790    
 H   -3.25738287       3.85428572       8.62609577    
 H   -1.84695423       4.47461414       8.62290573    
 O   -4.53174353       3.18436813       7.26527119    
 H   -5.44323206       3.46522498       7.24290562    
 H   -4.53973532       2.21660352       7.34892368    
 O   -2.85169935      -5.03088665       5.20220995    
 H   -2.88846207      -4.41786766       5.95102787    
 H   -3.40114141      -4.63137245       4.51689100    
 O   0.118612759      -2.69534135       6.68733311    
 H   0.267991930      -1.85695517       6.22134638    
 H   0.126404524      -3.39305615       6.02057981    
 O  -0.221580386      -4.61373091       4.64385080    
 H   -1.14085519      -4.87375784       4.83365059    
 H   0.245681927      -5.40969896       4.40323925    
 O   -1.73602474     -0.335472256       3.54514503    
 H   -1.53367758      -1.15860438       3.07568812    
 H   -2.51184464     -0.522322237       4.08819389    
 O   -3.85821819      -1.67298055       9.23105431    
 H   -3.02516818      -1.42325413       9.67355919    
 H   -4.42000628      -2.05782485       9.89787388    
 O    1.41161740       1.07021356       8.89621735    
 H    1.38282454      0.109375611       8.94048691    
 H   0.595697284       1.36841774       9.32303143    
 O   -4.20456314      0.442458898       7.36753035    
 H   -3.25869274      0.596598327       7.20307493    
 H   -4.24464750     -0.224620119       8.06311798    
 O   -4.16186047      -3.33186579       3.30377102    
 H   -4.19211626      -2.55944991       3.89189482    
 H   -4.95019293      -3.29889727       2.76761627    
 O  -0.840144992       2.34804058       3.46725655    
 H   -1.23472011       1.47328198       3.35091281    
 H   -1.39490187       2.81782031       4.10401440    
 O    1.37015498       3.12039781       7.02920103    
 H    1.55936837       2.75882792       6.15647936    
 H    1.48305666       2.39824343       7.66411734    
 O   0.324387550     -0.320963651       5.38793802    
 H   0.944801331      0.371421844       5.13105774    
 H  -0.359967351     -0.352381140       4.70181847    
 O   0.965991259      -1.81282032       9.15617371    
 H   0.719098628      -2.19901228       8.30061054    
 H    1.63552654      -2.38172102       9.52919292    
 O   -3.88091421      -1.27330518       5.14664984    
 H   -3.40800738      -1.88251710       5.73542356    
 H   -4.22929955     -0.593317628       5.73343039    
 O   -1.39267385      -2.88822818       2.60947824    
 H  -0.897355735      -3.44573569       3.22071075    
 H   -2.31822419      -3.14610481       2.70677352    
 O   -1.22490358       1.68137252       9.60585308    
 H   -1.66769040       2.53579569       9.68015099    
 H   -1.29553533       1.43651545       8.67062759    
 O   -1.58547342       1.05975819       6.90889072    
 H  -0.857659876      0.585728407       6.49176550    
 H   -1.68995476       1.89738524       6.43768930    
 O    1.65603757       1.95675611       4.44650126    
 H    2.32609248       2.11047244       3.78632426    
 H   0.798080921       2.16682029       4.03392410    
 O   -1.51620245     -0.964044213       10.2981653    
 H  -0.668494880      -1.31377065       10.0010843    
 H   -1.44935966      -7.32920016E-04   10.2176399    
 O   -2.66333270      -2.91430736       7.01145077    
 H   -3.04410863      -2.56812000       7.82763100    
 H   -1.70614207      -2.78381038       7.03483200    
 O  -0.553582311       4.96743393       7.30485153    
 H   0.173386812       4.31887484       7.25385714    
 H  -0.151158258       5.83126307       7.29274559    
          69
 Energy    -248.11441841196694     
  O     11.52991232      9.84142658    -12.75570406
  H     11.83175434     10.51573769    -12.13552146
  H     15.92023269      8.13832224    -16.63924178
  O     16.54028205      8.02767107    -14.99548430
  H     11.81932207     10.13165272    -13.62794101
  H     14.37779292     13.00470918    -13.54577035
  O     17.50397534     10.16575876    -11.01765947
  H     16.18659491      7.33613367    -14.41652444
  H     13.10893425     12.38399905    -14.16897177
  O     16.20006031     12.58349379    -13.58368293
  H     17.30678346      8.42125266    -14.55870773
  H     15.54765043     10.86958580    -13.60791500
  O     12.80832384      8.38758848    -16.52599531
  H     16.54671825     10.09141552    -10.89574171
  H     15.58784954      9.38627110    -14.13746018
  O     16.67477750      6.14896925     -9.87711352
  H     17.91662918      9.48120978    -10.47642016
  H     11.61229379      8.16583650    -12.30253711
  O     15.48926842      6.16811079    -13.28687392
  H     16.71603151     12.79913966    -12.79320089
  H     10.83974362      6.92111751    -11.80637095
  O     14.73135310      9.92853040    -10.92809844
  H     16.82821491     12.42685736    -14.29881292
  H     19.19925978      7.93811079    -12.83515798
  O     17.84221805     11.53476839    -15.58965973
  H     12.78938392      7.67367418    -15.87041964
  H     19.25987475      7.47503880    -11.36727508
  O     17.77429508      4.94701076    -12.24478424
  H     13.63986300      8.28329765    -17.00066986
  H     12.43588309      6.65122117    -13.73986118
  O     15.45612681     11.01393444    -16.79031107
  H     15.78715608      6.43688899    -10.12916971
  H     13.82078458      6.21009547    -14.22579274
  O     15.52278185      8.30480848    -17.51222594
  H     16.99292022      5.59021150    -10.59699213
  H     17.92883037     13.35667751    -10.52562963
  O     13.41413611     12.97468143    -13.46843959
  H     16.23102749      5.62279661    -12.99716547
  H     17.74944174     11.94572782    -11.11693305
  O     15.09859082     10.01154670    -13.59089799
  H     15.09421169      6.54954665    -12.49013703
  H     18.08940082      9.80778324    -12.78497493
  O     11.70709657      7.22801038    -12.05694544
  H     14.06133237     10.60173433    -10.76424922
  H     18.37562336     10.24353382    -14.25431292
  O     19.35082353      7.16535057    -12.27754226
  H     14.80226006      9.86965642    -11.89685175
  H     17.89846514      7.35515214     -9.64359914
  O     12.94056679      6.45233173    -14.53728414
  H     17.01307575     11.34600089    -16.06580377
  H     19.08014312      7.90929906     -8.81078697
  O     17.73726514     12.89172911    -11.33570373
  H     18.42210374     11.96767226    -16.21102494
  H     14.44005365      8.13966063    -10.83519610
  O     18.45301456      9.51073146    -13.63120389
  H     18.38506121      5.70143019    -12.32660228
  H     13.37056117      7.10067507    -11.24009044
  O     18.61749509      8.01305779     -9.63763979
  H     18.28505592      4.15788026    -12.40236331
  H     12.20207033     12.49588372    -10.55863465
  O     14.29183402      7.19223132    -10.96436626
  H     14.59464765     11.10253348    -16.37141897
  H     12.94886034     12.34392686    -11.90390060
  O     12.69120698     11.87383474    -11.09027104
  H     15.46183820     10.13359466    -17.19097445
  H     12.75424462      9.95142834    -15.70766559
  O     12.94567709     10.71701915    -15.14274542
  H     15.92239406      7.68906748    -18.12041692
  H     13.65601928     10.43070500    -14.54586289
          69
 Energy    -248.11424117050058     
  O      1.23721257      2.29686898      3.45929995
  H      1.79760872      1.51184543      3.42785254
  H     -4.34039363     -0.90627310      3.61608246
  O      0.74385109      3.36071549      0.84963630
  H      1.14475284      2.62718022      2.55796451
  H     -2.74793000     -0.37584796     -0.63131287
  O      1.70133654     -3.11361550     -2.51987548
  H      0.91297099      4.28145625      0.66748483
  H     -2.67561367     -1.89808358     -0.31321255
  O     -1.45597233     -0.57293723     -3.86221788
  H     -0.22218531      3.23767730      0.79776774
  H     -1.49442207     -3.36610436     -2.08870149
  O      1.31444688     -0.49422709     -3.09055088
  H      1.64242993     -2.16129142     -2.71902552
  H     -0.19372616     -3.25747583     -2.90019928
  O     -2.60244634      1.65609380      3.10479467
  H      2.37495188     -3.47201906     -3.09158011
  H     -1.62888226      0.18045883      2.46042862
  O     -1.73742861      0.87274914     -1.46453436
  H     -1.43125637     -1.50054662     -3.56668034
  H     -1.93968208     -0.70417779      1.23215218
  O      1.00195552      1.10631539     -0.81898686
  H     -1.89216477     -0.56632919     -4.70996396
  H      1.24245501     -2.39234548      0.52021227
  O     -4.47980628     -1.98474930      2.25185287
  H      0.43525824     -0.42395425     -3.48186325
  H      1.42070404     -3.33973381     -0.69813732
  O      0.63167647     -4.24018017      2.80025850
  H      1.32999497      0.14095036     -2.36164742
  H      0.10600416     -1.57263039      4.81435437
  O     -2.00116082     -3.24726924      2.58929743
  H     -3.26680399      1.07971780      3.50556309
  H      0.81708654     -2.71567204      4.02294429
  O     -4.14962174     -0.30674739      4.35837491
  H     -2.03308332      1.95480607      3.82681173
  H      0.37181029     -0.67740953      1.50130675
  O     -3.13647796     -1.07725418     -0.09027650
  H     -1.74476078      0.48878961     -2.35065871
  H      1.87432877     -0.55484109      1.90122636
  O     -1.14819063     -3.12519728     -2.95742661
  H     -0.80430908      0.94596160     -1.21851327
  H     -0.03590445      2.22854417      4.60163699
  O     -1.31262121     -0.57874684      1.95783666
  H      1.03483194      1.94818802     -0.34971010
  H     -0.69804146      2.78300246      5.88627912
  O      1.11740679     -3.30590384      0.21739953
  H      1.16528620      0.42337337     -0.15135831
  H     -2.32295930     -0.68684935      5.06470123
  O      0.96712820     -1.90677062      4.52191746
  H     -4.24723495     -1.60885143      1.39266891
  H     -1.16471349      0.26421063      5.39278787
  O      1.28086785     -0.75863865      1.16875823
  H     -3.77780178     -2.62037394      2.44983658
  H      3.55942763     -0.28195828      3.83832857
  O     -0.80799888      2.14152559      5.19027364
  H      1.02233110     -5.09429940      2.96912414
  H      2.09044111     -0.76969288      3.93136413
  O     -1.39615573     -0.67113776      5.32620223
  H      0.87022681     -4.00067714      1.89003920
  H     -0.70418833     -3.40273851     -0.13634709
  O      2.68689561     -0.13997773      3.48302873
  H     -1.19998693     -3.74023414      2.79892705
  H     -1.96926437     -3.57130379      0.70169109
  O     -1.66668703     -3.46929957     -0.20926620
  H     -1.72903229     -2.31768076      2.54198028
  H     -2.26345438      2.44668541      1.44958536
  O     -1.89721865      2.83940243      0.64538598
  H     -4.91941341     -0.31746614      4.92078710
  H     -2.06609324      2.22707584     -0.08001918
          69
 Energy    -248.11406875932391     
  O     14.00621287      2.90504599    -10.01019287
  H     13.29196043      3.00870529    -10.65363675
  H     10.86254762      5.27163292    -14.35005978
  O     13.66681686      8.35304033    -12.36098957
  H     13.97032713      3.69645430     -9.46015422
  H     13.32933987      5.06792638    -11.90559851
  O     14.20711123      9.02782225    -16.73510422
  H     13.77316617      7.41609802    -12.12691080
  H     14.78858062      5.33953924    -12.35316735
  O     17.44333538      8.00407275    -10.25559276
  H     13.25838660      8.79079379    -11.60590829
  H     16.97436701      2.07792361    -10.89294306
  O     14.12138157      5.65526916     -9.09858797
  H     13.64961564      8.56959817    -16.08385575
  H     15.62484292      2.80988836    -10.70105831
  O     16.89286141      5.39218223     -9.69842837
  H     13.62597266      9.57515164    -17.25689267
  H     13.52197692      9.12574716     -9.51471816
  O     12.87781680      7.55173238    -14.85084595
  H     17.32643530      7.04786303    -10.11517081
  H     12.43370110     10.22431776     -9.59449254
  O     15.46592411      6.48331241    -17.25541108
  H     18.31726211      8.21976581     -9.93942847
  H     11.83319557      7.69181619     -9.47067254
  O     16.74455830      9.49296949    -15.48182294
  H     14.22834827      5.68985904    -10.06374310
  H     11.08085195      6.43490163     -9.95735165
  O     18.07473227      7.36321407    -16.50982489
  H     13.21362227      5.95898781     -8.94535043
  H     16.81368168      8.54306578    -11.92003058
  O     17.73399195      6.40046638    -13.85860147
  H     16.92509272      4.56217786    -10.18758282
  H     15.45734448      8.63920098    -12.65673610
  O     10.57517763      6.12985668    -14.01410949
  H     16.03283031      5.40152785     -9.26021435
  H     15.83692784      8.40635737     -9.30746143
  O     14.04634840      5.71331145    -11.85992205
  H     13.12424086      7.92073929    -13.98918708
  H     14.73148295      7.47473748     -8.78118847
  O     16.51887920      2.89510371    -11.07714854
  H     13.33519235      6.70428250    -14.94794262
  H     10.22322626      5.92449133    -12.31184978
  O     12.67918282      9.37037246     -9.93976038
  H     16.39985108      6.65390833    -17.07910818
  H      9.15339616      5.55319734    -11.25951605
  O     11.63017058      6.77656368     -9.24141502
  H     15.04422708      7.35120987    -17.25252981
  H     16.68664643      5.07136530    -13.52453443
  O     16.41403584      8.67773896    -12.78890696
  H     16.64041315      9.34520391    -14.53202667
  H     16.25686251      3.81872235    -12.67705703
  O     14.97210996      8.40414108     -8.88023391
  H     15.86144700      9.45254683    -15.86977796
  H     11.99234147      3.57009758    -12.86578690
  O     10.09407577      5.65089208    -11.38634727
  H     18.84891687      7.61470572    -17.00557851
  H     11.32509218      4.26201743    -11.64462401
  O     15.97030926      4.43606456    -13.35927799
  H     17.67076778      8.18748019    -16.18094475
  H     11.69145130      3.01013381    -15.38553496
  O     12.07584966      3.71635869    -11.91448320
  H     17.30028891      7.18464451    -13.49681572
  H     12.69360746      4.12844043    -15.01693501
  O     11.87679907      3.68085319    -14.73363293
  H     17.95831354      6.62075840    -14.77065346
  H     14.61394456      5.45284680    -16.08229361
  O     14.14341533      5.05689810    -15.33373893
  H     11.23446099      6.75896734    -14.33274073
  H     14.80626796      4.77380036    -14.68832153
          69
 Energy    -248.11396205557253     
  O     13.21870803     12.27726183    -14.18908778
  H     14.15194335     12.50912159    -14.14977329
  H     12.82155057      7.14343332    -16.66241997
  O     14.61680251      6.76827034    -14.14864384
  H     13.08554309     11.80494315    -15.02429229
  H     18.78144834      4.20137890    -15.15092754
  O     18.09390584      8.48179920    -12.38462304
  H     14.80349332      7.66495811    -14.46781183
  H     18.29807588      5.65755549    -15.27777345
  O     18.97313719      9.34998079    -14.83143218
  H     14.02841911      6.86322783    -13.38820536
  H     17.79613089     10.53178009    -15.62571747
  O     11.37764214      8.30701793    -16.23637947
  H     17.69398073      7.60731592    -12.48714591
  H     16.78839725     11.68549861    -15.35134661
  O     15.66685692      8.18578330     -9.22168457
  H     18.29672395      8.60218633    -11.44476390
  H     15.76243813      9.77380974    -15.37994248
  O     13.16229986      7.12710000    -11.79082928
  H     18.70865314      9.05253596    -13.94450580
  H     14.22724942      9.72078951    -15.31295715
  O     15.94744693     10.26073390    -12.51005815
  H     19.92750418      9.35313338    -14.84361624
  H     12.31805843     11.51994547    -12.92297232
  O     15.78071017      7.56480387    -18.10365307
  H     11.35445580      8.34883988    -15.26302401
  H     11.11564781     11.61087847    -11.95442725
  O     15.25489810      5.66783803    -10.52946140
  H     10.48411459      8.13935963    -16.52420522
  H     11.46540121      9.38487134    -13.12140083
  O     17.92183344      7.06595199    -16.26990010
  H     15.51522972      7.29876438     -9.57101460
  H     11.85327861      7.90623600    -12.93840303
  O     13.62488141      6.61761055    -16.75538161
  H     14.97529603      8.74372195     -9.59861706
  H     16.08872253      6.23284946    -13.30947647
  O     18.49033514      4.94968255    -14.63777513
  H     13.37728242      8.00290042    -11.43612142
  H     17.47063059      5.52673903    -13.30252644
  O     17.03638401     11.00503603    -15.99072969
  H     13.71330988      6.50451313    -11.30192920
  H     17.36013304      8.63730697     -9.45511544
  O     15.02711645      9.36120948    -14.90932015
  H     15.51585720      9.92824034    -13.31355319
  H     18.75262212      8.94862925     -8.87760132
  O     11.81986740     11.03509431    -12.24049673
  H     16.71792866      9.69751094    -12.36499121
  H     15.90590694     10.71894916    -17.51495046
  O     11.40024888      8.51501741    -13.53419345
  H     14.99572751      7.20946268    -17.65023048
  H     15.39541541      9.41262895    -18.14377398
  O     16.84227186      6.00503020    -12.74312512
  H     15.84812547      7.09869289    -18.93370908
  H     13.10103417     10.18455893    -11.17011413
  O     18.28035347      8.83905053     -9.69781414
  H     15.88783806      5.72876747    -11.26533654
  H     14.61274672      9.92594135    -11.35588048
  O     15.18788441     10.35127624    -18.04648075
  H     15.33797520      4.78881507    -10.16870952
  H     16.45055176     13.38498839    -13.36891661
  O     13.83964703      9.66200840    -10.83437710
  H     17.21000920      7.28834387    -16.88123878
  H     16.09746740     11.88338228    -13.25371819
  O     16.09274233     12.64687270    -13.85622574
  H     18.24352363      7.89055089    -15.89012681
  H     12.38706643      9.86626244    -16.49144735
  O     13.00390232     10.60061361    -16.38711499
  H     13.93863966      6.46029937    -15.85413026
  H     13.66897913     10.55248866    -17.09173152
          69
 Energy    -248.11391220466805     
  O     13.68621337      4.52961974    -15.97053009
  H     13.52362511      5.46866375    -16.13942124
  H     17.50071753      8.00075287    -16.46589355
  O     18.27270340      6.64003260    -12.12388575
  H     13.92215510      4.46991690    -15.03542839
  H     15.40155083      7.10075891    -15.77414569
  O     18.89696508      6.04582768    -18.22263488
  H     19.18405420      6.83812206    -12.38885200
  H     16.38738308      7.55491924    -14.65608836
  O     16.12421589      6.22163526    -19.06048178
  H     17.72489108      7.38036400    -12.41004736
  H     13.44713155      8.40995400    -13.48078304
  O     14.73282420      6.10421361     -9.84794528
  H     19.66535140      5.59734422    -18.56610165
  H     13.82377353      9.66234851    -14.30494591
  O     14.59338412      4.61353647    -13.32459962
  H     18.57264602      5.51334092    -17.47718709
  H     17.18519013      3.89162794    -10.32742651
  O     16.56876159      8.66676478    -13.16226570
  H     15.83016555      5.37372282    -18.70403617
  H     17.13712920      3.34474097    -11.76377518
  O     17.57255227      4.71362716    -16.17374880
  H     17.07934939      6.23732261    -18.93430234
  H     13.36936937      7.89931521    -15.66027401
  O     14.17247713      3.43662769    -10.79523049
  H     15.67603841      6.00299362     -9.67037752
  H     13.80277354      7.73595170    -17.16467288
  O     19.19275104      9.25355962    -14.41598535
  H     14.41393654      5.21587912    -10.05228620
  H     21.61482758      7.68941731    -12.94099393
  O     15.49041322      3.74108869    -17.77942114
  H     15.55079146      4.48929639    -13.38590974
  H     20.28808144      8.12356901    -13.59248998
  O     18.21582738      8.46716066    -16.92804740
  H     14.30696585      4.16408396    -12.51942220
  H     17.75090004      5.09938266    -13.01773942
  O     16.32003883      7.05405388    -15.47625835
  H     16.21023569      9.46359748    -13.57863906
  H     17.60366860      4.28319858    -14.33449518
  O     13.17638263      8.95079297    -14.23501217
  H     15.81204345      8.19814278    -12.77220339
  H     17.86685795      6.03414728    -10.49620969
  O     16.87381822      3.14491912    -10.85515939
  H     16.92097002      4.22868545    -16.69825366
  H     18.19447446      5.91922926     -8.99047406
  O     13.67143834      7.26914197    -16.33146415
  H     17.12832722      5.52763276    -15.88260119
  H     15.11360552      7.64372748    -18.90737346
  O     20.70639681      7.42634001    -13.05795899
  H     13.70756979      2.68219258    -10.44439214
  H     14.07400679      8.57487122    -19.57444228
  O     17.38710420      4.28594496    -13.39448743
  H     15.12260295      3.22214974    -10.76911695
  H     14.42330355      6.38486074    -12.80362604
  O     17.56968776      5.64460521     -9.65695342
  H     18.97786137      9.05300558    -15.33740762
  H     14.45410033      6.99956258    -11.39346578
  O     14.53040286      8.40869150    -18.75383835
  H     18.35696710      9.22003862    -13.93997774
  H     15.40849486     11.69880991    -14.43752304
  O     14.42177296      7.22951168    -12.33294806
  H     14.79344969      3.97634290    -17.13838435
  H     15.61091028     10.59603067    -15.50332394
  O     15.40658145     10.75373722    -14.56420960
  H     15.23127837      2.91475494    -18.17673087
  H     15.46859516      9.69874415    -17.72850804
  O     16.03802495     10.21129018    -17.14190894
  H     18.63336372      7.79761461    -17.48004549
  H     16.90226189      9.78088646    -17.18592934
          69
 Energy    -248.11390820947383     
  O      0.68808573      2.22103873     -2.84126732
  H      1.19716456      1.43437583     -3.10939710
  H     -0.92615947     -2.30460832     -1.18747567
  O      2.27019391     -1.24514089     -0.88870817
  H      0.91730080      2.91772871     -3.44995346
  H     -4.01248004     -1.29369642     -2.22465457
  O     -1.60306495      0.66545575     -2.30001861
  H      2.79799711     -2.05389461     -0.86312838
  H     -3.01508223     -0.34409278     -2.90796484
  O      2.33761482      0.42958367      1.36326891
  H      2.43078691     -0.73813068     -0.08465420
  H      1.50910275     -0.75166028     -3.92256565
  O      2.13605866     -4.27817705     -3.35337491
  H     -0.92945107      1.28673869     -2.59923143
  H      2.21215313     -0.44575978     -2.58553881
  O     -4.53337608     -1.71209924     -0.37428372
  H     -1.14047121     -0.16707947     -2.10149448
  H     -1.67147889     -0.88722022      3.05020016
  O     -1.97911293     -4.87050408     -2.82204939
  H      1.85861030      1.13632819      0.89115188
  H     -2.65964055     -1.94033083      3.59165391
  O     -0.61647729     -3.57423155      1.71654147
  H      2.98351273      0.85587273      1.91914374
  H     -1.81628111     -3.82069222      3.02923662
  O      0.35182190     -2.26417825     -4.22340510
  H      1.58427044     -3.60891147     -3.77799974
  H     -2.33016057     -4.44016204      4.33860956
  O     -4.18098690      0.20876284      1.60865036
  H      1.53507243     -4.98093675     -3.07269521
  H      0.85748201     -5.34919873     -0.61518222
  O     -2.25037923     -3.37360747     -0.49944038
  H     -4.44068629     -1.02318492      0.30146198
  H      2.04199150     -4.48906171     -0.15149889
  O     -0.36352190     -1.66236437     -1.63507077
  H     -5.37424346     -2.13614380     -0.21350813
  H      0.20582965     -7.08382242     -2.39884444
  O     -3.63226945     -1.06954139     -3.08042255
  H     -2.16026622     -4.39562426     -1.99800507
  H     -0.52371371     -5.72421603     -2.49594581
  O      1.99251105     -0.06442569     -3.44702333
  H     -2.12608241     -4.24002795     -3.53595425
  H      4.40866335     -4.04273613     -1.16788505
  O     -2.57380856     -1.00152656      3.37331594
  H      0.07031192     -4.05488702      1.23008521
  H      3.08942436     -3.90129250     -1.96655988
  O     -2.51803328     -3.75822440      3.69880829
  H     -0.36651690     -2.64046408      1.75753969
  H     -0.09249472      1.97344031      0.24964465
  O      1.20039909     -4.85623206      0.14086682
  H      0.12162090     -2.10311840     -3.29406981
  H      0.83751742      2.28928867     -0.93980206
  O      0.31990358     -6.14832817     -2.25611153
  H     -0.49241339     -2.45096086     -4.64736884
  H     -2.86285948     -2.19525655     -4.19819529
  O      3.51877628     -3.70691396     -1.11189218
  H     -3.65707459     -0.23846721      2.30016121
  H     -2.92822249     -2.89719129     -5.57084009
  O      0.81595276      2.21237888      0.02193848
  H     -4.77171786      0.81066856      2.05297470
  H     -2.59883451      0.89763311      0.80458829
  O     -2.39714899     -2.81897199     -4.78261936
  H     -3.03202391     -2.82807612     -0.35561289
  H     -1.79631700      0.92805739     -0.52793194
  O     -1.72110943      1.03072633      0.43218322
  H     -1.80735679     -3.51242187      0.34845900
  H     -0.68634585     -0.24604697      1.28679925
  O     -0.16096821     -0.82349840      1.85922483
  H      0.49735266     -1.60683100     -1.20022726
  H      0.73317782     -0.46457885      1.85311718
          69
 Energy    -248.11369325584326     
  O     -4.44990266     -1.34968138     -0.73292724
  H     -4.45080092     -2.19406019     -0.26634953
  H     -2.00553216     -2.14098776      1.72221213
  O     -2.19044546     -0.42561021      2.03624848
  H     -3.61249103     -1.28849804     -1.20751032
  H      1.31437809     -1.22134443      1.66642777
  O     -5.11682056     -2.90750439      3.21097754
  H     -1.57040781     -0.14518445      2.72124370
  H      0.97527592     -0.04131328      2.64061874
  O      2.60514537     -2.11239001      4.13916800
  H     -2.02670829      0.13170957      1.26418781
  H     -2.94131008     -2.36276070      5.68975140
  O     -4.41808391     -3.77591385      0.77477641
  H     -4.51813249     -3.07369916      3.95228155
  H     -2.40347378     -3.58310692      4.91698763
  O      0.81827512     -2.83964644      0.92757347
  H     -5.18622893     -1.94574745      3.14045112
  H     -1.11626866     -1.15810720     -1.92954090
  O     -2.20502830     -0.82382525      6.70687591
  H      1.90036739     -1.96142926      4.78371293
  H     -2.07766934     -0.77247628     -3.07442577
  O     -4.88024362     -0.16174998      2.80295063
  H      2.50492424     -1.42604253      3.46873553
  H      1.98212502      1.71587566     -0.43297910
  O     -1.54841903      1.15837380     -0.18455212
  H     -4.88166054     -4.57965665      0.55825378
  H      1.51228287      0.63142985      0.56445293
  O      0.55471804     -1.42814477     -1.48507243
  H     -4.72501073     -3.50234705      1.66032530
  H     -4.31517261      1.43292126      3.63257802
  O     -0.27318165      0.33896333      3.89569180
  H      1.25684833     -3.49050856      1.48713213
  H     -3.64197219      2.56602337      2.86170605
  O     -1.83577834     -3.08086885      1.55253019
  H     -0.13459172     -2.96464053      1.05692191
  H      2.53082114     -5.16322608      3.08151790
  O      1.63722823     -0.37819516      2.01909851
  H     -2.61623719     -0.77606934      7.56748657
  H      2.23997083     -3.68398873      3.43393318
  O     -3.21367454     -3.16691589      5.23516137
  H     -2.19491781      0.07957862      6.35566462
  H     -6.51040520      0.96088519     -0.14070370
  O     -2.01924295     -0.85284296     -2.12536815
  H     -3.94830943     -0.28073405      2.56148410
  H     -5.25228563      0.06126642     -0.12097958
  O      1.29283585      1.07699076     -0.27151035
  H     -5.31125537      0.18456282      2.01081781
  H     -1.77564857      2.57815143      6.10037483
  O     -3.78751529      2.23215578      3.75806766
  H     -0.58788749      1.24841647     -0.21129934
  H     -2.64590867      1.97765804      4.96881229
  O      1.87721338     -4.47470207      2.99580653
  H     -1.78971717      0.56927796     -0.91103231
  H      0.08815128     -4.32117111      3.69726573
  O     -5.67131302      0.83678131      0.29432359
  H      0.91492815     -0.57449001     -1.21574572
  H     -1.20540329     -3.68726104      3.14220555
  O     -1.96198672      1.76857135      5.63315173
  H      0.72495811     -2.02844933     -0.74684756
  H     -0.18467165     -2.60353906      5.01596419
  O     -0.76287803     -3.95296618      3.96225785
  H     -0.09383719     -0.42820910      4.45939729
  H     -0.57066566     -1.57639444      6.11378897
  O      0.14621048     -1.85002474      5.52861561
  H     -0.74853115      0.97532408      4.44236286
  H     -2.84104330      2.34310090      0.55805108
  O     -3.60129233      2.72238783      1.01602714
  H     -2.66063836     -3.45498788      1.22350756
  H     -4.35610905      2.19490019      0.72511098
          69
 Energy    -248.11366540851370     
  O     -7.13620463      2.44543680     -0.81713141
  H     -6.75933917      2.59277974      0.06608011
  H     -8.16230358      0.16260958      3.22274741
  O     -3.01139983      3.24484324     -3.39111174
  H     -7.83508881      3.08569708     -0.92591204
  H     -4.46555398     -1.01390035      2.77224966
  O     -5.92574971      2.45427095      1.68603190
  H     -2.74470135      3.74758100     -4.15610936
  H     -5.62746521     -0.29798155      3.47134841
  O     -4.06329068     -1.42883949      1.05187849
  H     -2.19047867      2.92838542     -2.97927211
  H     -0.92370507     -0.00956490      1.70762491
  O     -1.36531830     -0.53524328     -2.07981142
  H     -6.42377377      1.78532648      2.17404455
  H     -1.27423795      0.84532034      2.96697404
  O     -4.89451994      1.57702271     -2.31216520
  H     -5.18570790      1.99568317      1.25553951
  H     -1.19134996      2.13288353      1.17756554
  O     -5.81285343     -2.26307882     -0.98308617
  H     -4.00667483     -0.49789907      0.77974373
  H     -1.75275086      3.58459918      1.00706595
  O     -4.08949829     -1.05337465     -2.64567011
  H     -4.66702365     -1.85644920      0.43414843
  H      0.42997672     -1.91377870      0.48329076
  O     -0.85164757      2.22889806     -2.01491337
  H     -0.51487918     -0.90943940     -2.34259471
  H      1.72248765     -1.10176535      0.65724138
  O     -1.35750965     -1.35377708      0.59185261
  H     -1.26109541      0.42620442     -2.09650775
  H      2.56957281      1.11780506      1.83328605
  O      1.29019093     -1.44832316     -2.41079611
  H     -5.69287266      2.00087897     -1.97773463
  H      1.06667900      0.80376267      1.67871726
  O     -7.31615536      0.27369578      2.79795225
  H     -4.32837860      2.24233816     -2.73193693
  H     -2.46255164      0.97040444      5.15406351
  O     -4.70856845     -0.56195654      3.59322712
  H     -5.19425638     -1.87718046     -1.63084209
  H     -3.38418285      0.45479301      4.02624770
  O     -0.64620663      0.75232608      2.23990248
  H     -6.07763255     -3.11180684     -1.32638300
  H     -7.44115316      0.52607169     -0.34493580
  O     -1.61535828      2.73913511      0.55637105
  H     -4.42140177     -0.14475263     -2.68012209
  H     -6.98156760     -0.95613046     -0.29466159
  O      1.37329898     -1.91268332      0.26696373
  H     -3.13594486     -0.98008534     -2.51447583
  H     -3.12173201      1.77180828      0.37954599
  O      1.92995063      0.73164719      1.23974550
  H     -1.11430204      2.49553069     -1.12081712
  H     -4.18912263      1.29650403     -0.65308894
  O     -2.63581464      1.04812543      4.21876766
  H      0.09256199      2.02070089     -1.97253907
  H     -2.31213562      5.91688700      2.08534642
  O     -7.52452111     -0.29468586      0.15246910
  H     -1.38328233     -1.04912138     -0.32690707
  H     -2.81021748      4.54429141      2.57740879
  O     -3.90664832      1.21892579      0.26822463
  H     -2.26763707     -1.57669566      0.82570169
  H     -3.51311199      2.69194586      3.73195485
  O     -2.15342999      4.98069531      2.00737631
  H      1.38522570     -1.71456676     -1.47863134
  H     -4.70134859      3.24134475      2.91016901
  O     -3.94302412      3.50665991      3.44524004
  H      1.77996361     -2.07950833     -2.93037317
  H      1.82779660      1.17401973     -0.65293111
  O      1.69964362      1.28785575     -1.60257216
  H     -7.42482799     -0.01782964      1.87447133
  H      1.68659965      0.39693311     -1.97364942
          69
 Energy    -248.11353921954273     
  O     14.79814221     10.02008723    -10.97124334
  H     14.44606437     10.51859556    -11.72182530
  H     15.21019149      3.83434027    -15.24469237
  O     13.57798421     10.31200045    -16.87006554
  H     14.08192686      9.45866380    -10.63847777
  H     16.50641367      4.76584310    -10.71948662
  O     16.81122370     10.87370115    -13.85757634
  H     13.19829440      9.74822365    -16.18382901
  H     17.96245300      5.06051515    -10.34094437
  O     13.30765736      5.07736694    -12.58978010
  H     13.52594728     11.21294108    -16.52734026
  H     12.38391737      7.86498848    -11.11847580
  O     16.23428160      6.69021000     -8.13864818
  H     17.20458696     10.89262563    -12.97465760
  H     13.44260446      7.27201624    -10.18318280
  O     16.47699346     12.40581998    -16.18310716
  H     15.85319535     10.91251222    -13.73284274
  H     18.66179374      7.79034155    -14.76546004
  O     15.86270057      7.70734111    -12.08151762
  H     13.80043817      5.15390109    -11.76200712
  H     20.09776134      7.22510785    -14.72296563
  O     14.03461798     11.07144270    -13.44063177
  H     13.94545539      4.82868637    -13.26865971
  H     14.80141995     12.83188782    -15.83734102
  O     18.53858851      7.94774622    -11.60126768
  H     16.14617249      7.49923163     -7.63892673
  H     13.57529010     13.77444751    -15.76720880
  O     17.58724460     10.63747853    -11.22432678
  H     17.15515873      6.65789700     -8.43804401
  H     12.30504074      8.31915727    -13.98111518
  O     17.73137195      4.84969670    -13.67635723
  H     16.48464427     11.68595746    -16.82500473
  H     13.67619154      8.26749243    -14.69084363
  O     15.25724878      4.57826085    -14.65091552
  H     16.76843104     12.00909178    -15.34970135
  H     16.13780122      9.89029534    -18.68491396
  O     17.41695889      4.54494190    -10.94552503
  H     15.57857200      7.57529742    -12.99365145
  H     15.20339749     10.03624016    -17.46203761
  O     12.93625666      8.07337746    -10.35467169
  H     15.48173182      8.53581494    -11.75810906
  H     10.67504392      6.82798580    -12.67582830
  O     19.27465625      7.24885271    -14.24076605
  H     13.57959093     10.29545756    -13.79956686
  H     12.15505004      6.38151317    -12.72032906
  O     13.85621953     12.87794830    -15.60685092
  H     13.87422679     11.79536788    -14.05758364
  H     15.23192986      6.46680360    -10.98793617
  O     12.88337745      8.81452530    -14.57269556
  H     17.58956837      7.80914303    -11.75615975
  H     15.23699840      6.04594194     -9.49214535
  O     16.13684161      9.97941710    -17.73565057
  H     18.96697966      7.75871634    -12.44353107
  H     18.78236307      7.05861300    -10.10082398
  O     11.56839990      7.15954441    -12.71870246
  H     16.67919900     10.48215225    -10.92968029
  H     19.68799670      6.47981592     -8.98650613
  O     14.86089257      5.82658342    -10.35718757
  H     18.02647302      9.77796965    -11.23079473
  H     15.20564952      6.38738103    -14.85606880
  O     18.78933917      6.49921531     -9.30490313
  H     18.30004441      5.60728787    -13.84355861
  H     15.96831433      7.74082159    -15.12342150
  O     15.16654774      7.34734905    -14.75655877
  H     17.70437783      4.71518273    -12.71674475
  H     17.08568038      9.12770345    -16.39297010
  O     17.40861642      8.79924906    -15.54420221
  H     16.16982544      4.60949672    -14.30760753
  H     17.25603478      9.51084893    -14.90122461
          69
 Energy    -248.11347291211760     
  O     -0.54601945      0.54423040      0.31989052
  H     -1.42514290      0.94086776      0.35625228
  H     -3.81943642     -1.47771894      0.87396961
  O     -0.70472636      4.77764357      1.23705224
  H     -0.64928247     -0.35292344     -0.02314022
  H     -5.79448814      3.72529928      3.61258070
  O     -2.74004830      3.32830142      2.50939065
  H     -0.59634706      5.72459863      1.28440499
  H     -4.47411893      3.18422613      3.04400824
  O      2.77532890     -0.66958532     -0.38642304
  H     -0.80001525      4.55572850      0.29393740
  H     -3.21832746     -0.54646937      6.35913625
  O     -3.54304398     -2.45761532     -0.60297572
  H     -2.08419380      3.91384416      2.11352836
  H     -3.76722207     -0.12099271      4.97426857
  O     -0.20548013      0.86688014     -3.18068433
  H     -2.29962285      2.84665809      3.22811647
  H     -3.46130541      0.70040356      0.83997824
  O     -0.95736247      4.12866203     -1.38946115
  H      2.59766114      0.28122503     -0.40144247
  H     -3.07066870      2.18197275      1.14335076
  O      1.75617710      1.92795950     -0.38121526
  H      2.29791789     -1.02958793     -1.14263720
  H     -5.26301871      1.13473901      3.71628438
  O      1.09181505     -1.44200874     -2.58236975
  H     -3.74032536     -3.35005627     -0.87620282
  H     -4.80517647     -0.19206585      3.05541774
  O     -0.81606744     -2.07102345     -0.64131766
  H     -2.58170653     -2.35404899     -0.69765637
  H     -1.94472482      1.19324702      4.87932573
  O     -1.56944329     -1.44102665      3.31815987
  H      0.33845406      1.66418480     -3.18977842
  H     -0.68707801      1.43497078      4.01650673
  O     -3.77679139     -0.87395807      1.62887643
  H     -1.07043810      1.14318288     -2.85526416
  H      0.76013907      3.72075899      1.88067886
  O     -5.36371972      2.92305730      3.32855407
  H     -0.15890208      3.95158352     -1.90150561
  H      1.22517970      2.39567754      2.52952527
  O     -2.95189061     -0.30992768      5.47569180
  H     -1.61071708      3.49039701     -1.69974976
  H      0.99176989     -2.57471832      1.94135160
  O     -3.13217362      1.51945808      0.44270526
  H      0.91474097      1.45501882     -0.28769789
  H     -0.49240375     -2.67086363      2.35049393
  O     -5.06186895      0.20610144      3.89748758
  H      1.85804082      2.44294481      0.43137101
  H      1.24832839     -0.07906686      2.78476575
  O     -1.44184785      1.87876536      4.42210450
  H      0.62596202     -0.62216206     -2.82840834
  H      0.11717863      0.57978945      1.95757385
  O      1.53601805      3.16893486      2.04667182
  H      1.33973510     -1.87157234     -3.39669448
  H      1.61988252      2.76597564     -1.89709993
  O      0.15948138     -3.01175067      1.72324705
  H     -0.42761333     -2.50475700      0.13508828
  H      2.16416770      3.57295196     -3.10262593
  O      0.49385251      0.52041335      2.85094255
  H     -0.14764553     -2.01094499     -1.33385351
  H     -2.93664261      1.79827178     -1.28587289
  O      1.36995349      3.19433072     -2.73632916
  H     -0.88025364     -0.77627745      3.19505523
  H     -3.47975115      1.99612916     -2.71668248
  O     -2.67640776      1.99450267     -2.20183777
  H     -2.02231764     -1.20403595      4.13848454
  H      2.61996667     -1.15728650      1.27616922
  O      2.46500289     -1.37277676      2.21366294
  H     -3.00785322     -1.12772477      2.15672653
  H      3.30618171     -1.63494681      2.57796477
          69
 Energy    -248.11346509842360     
  O     16.24445584      9.71919175    -15.41190349
  H     16.29983332     10.67646422    -15.52610386
  H     17.07972996      3.22168323    -15.05260746
  O     13.55867003      7.61917578     -9.78956924
  H     15.34445319      9.41022988    -15.58441792
  H     15.54810247      7.79280855    -12.16337571
  O     16.82691303     12.43543591    -15.37983236
  H     14.03716973      8.45766156     -9.65181959
  H     14.85880349      6.96309003    -11.05650101
  O     13.78974829      8.46046972    -15.67552660
  H     13.46461415      7.21393460     -8.93164776
  H     17.77938856      6.84072099    -16.55386183
  O     18.35639678      7.99890175    -15.18369546
  H     17.67114655     12.25280975    -14.92550899
  H     17.27836710      5.39489905    -16.45931953
  O     20.37678165      9.36715291    -13.97215058
  H     17.00270369     13.10888074    -16.03137852
  H     18.54604357     12.93237368    -10.56903759
  O     17.71545599      6.16430924    -13.17250913
  H     13.66134989      7.80304595    -14.97687061
  H     18.00985117     11.54541241    -10.99139341
  O     11.68935414      7.85690288    -11.87672683
  H     14.00740284      7.95049185    -16.46699753
  H     15.65676728      6.56802039    -17.51840104
  O     15.78000272     13.09742300    -12.77132939
  H     18.10555301      7.39252133    -14.47098146
  H     14.58153057      6.62311127    -18.62792967
  O     12.39459455     10.04163027    -13.65757487
  H     17.62710035      8.62474582    -15.31108342
  H     16.03459144      9.56147393    -13.63443282
  O     13.99076715     11.28303533    -11.78752853
  H     21.22563197      9.18526028    -14.36808575
  H     15.15261476     10.05130328    -12.44033037
  O     16.92470061      4.16181718    -15.01504152
  H     19.71582015      8.87402983    -14.48886829
  H     18.86097175     12.10301967    -13.02139237
  O     15.37986551      6.88349040    -11.86216238
  H     16.91888289      6.32157929    -12.64597797
  H     19.54685569     11.05712334    -13.93307626
  O     17.29970561      6.16154078    -17.04519585
  H     17.52313517      5.40407500    -13.73605518
  H     16.99566381      9.74023371    -11.41227554
  O     18.17854393     12.45002600    -11.30509741
  H     10.80724983      7.82173788    -11.51371429
  H     18.29106822      9.20147972    -10.79655444
  O     14.70774100      6.70818497    -17.68663216
  H     12.30151900      7.80873740    -11.12569218
  H     14.12285705      6.52927579    -13.11210180
  O     15.83253937      9.41628812    -12.70362528
  H     16.58017469     12.97740184    -12.24477803
  H     12.61775533      6.82813818    -13.17625507
  O     19.04217081     11.87895058    -13.94314997
  H     16.04065564     12.94692010    -13.68742511
  H     19.82284213      8.47061508    -12.33812294
  O     17.59470951      9.85819583    -10.65826476
  H     12.09080121      9.31483039    -13.09976812
  H     18.92003431      7.25720030    -12.06132609
  O     13.35435582      6.49384727    -13.70023586
  H     12.77605220      9.63597482    -14.44448116
  H     14.54559904     10.50545761    -10.21897673
  O     19.38146365      7.98631839    -11.62951455
  H     14.50686526     12.02728451    -12.13338199
  H     15.88132549      9.90443237     -9.71254412
  O     14.93044586      9.91792559     -9.55076025
  H     13.34573964     11.01297222    -12.45665158
  H     13.87916626      5.22714638    -14.93541994
  O     14.33720234      4.72724736    -15.62489079
  H     15.97564553      4.29623891    -15.18841744
  H     14.34552441      5.30221044    -16.39959351
          69
 Energy    -248.11335446506234     
  O     16.16913724     11.62077054    -12.09666446
  H     16.80429519     11.14570063    -11.54968981
  H     19.42389147      9.36904974    -13.69974995
  O     14.01861258      6.76570586    -14.74086377
  H     16.37869813     11.38771923    -13.01276907
  H     15.32768096      7.75734350    -13.96848647
  O     15.46522727      5.49480275    -10.68319956
  H     14.21862358      5.93826535    -14.28374707
  H     16.25707610      9.01341298    -13.88068677
  O     18.15837211      6.40451576    -13.62454573
  H     13.28779229      7.16725955    -14.25250013
  H     13.16431319     12.44265658    -11.73559013
  O     14.53769166     10.37154923    -16.45292574
  H     15.60277994      6.45018002    -10.62399162
  H     14.45430117     11.62049496    -11.97204110
  O     11.89029940      7.55223436     -8.81605491
  H     14.61785566      5.30509064    -10.25284887
  H     12.75189481      4.68985202    -12.75841170
  O     12.07614201      7.74652861    -13.00762014
  H     18.22068035      5.88260840    -12.80959503
  H     11.26440607      4.27564989    -12.79874701
  O     15.82306763      8.24807544    -10.77549115
  H     17.40505889      7.01122246    -13.53760146
  H     12.40870792      9.35982809    -14.00369785
  O     18.30776878      7.52711584    -16.24853712
  H     13.88350978     10.27248786    -15.73748874
  H     13.03295851     10.70243945    -13.58610862
  O     15.60092201      7.71968733    -16.83315337
  H     14.12820882     10.91130974    -17.12379002
  H     18.38871077      4.09863027    -10.97259774
  O     16.64767111      4.32593626    -14.86730171
  H     12.28683333      8.16296473     -9.45698807
  H     17.16659878      5.03343510    -11.00871125
  O     19.37211584      8.92718360    -12.84375290
  H     11.72457722      8.06620107     -8.02982700
  H     14.89314785      4.84007600    -12.30688850
  O     16.04719562      8.16538140    -13.47056796
  H     11.83331268      6.83895329    -12.78607009
  H     15.24137195      4.26935663    -13.71701156
  O     13.48100246     11.57164887    -11.95882998
  H     12.42692355      8.14319851    -12.19778163
  H     12.52887971      5.92551476     -9.35459644
  O     11.85851239      4.94906244    -12.47602816
  H     15.84568147      8.22788772    -11.74673375
  H     12.41048091      5.03036820    -10.60282288
  O     12.82806063     10.15444181    -14.35403048
  H     16.57409164      8.79370111    -10.51786488
  H     18.93538563      9.08855371    -15.87541069
  O     18.07096787      4.91817308    -11.34275970
  H     17.37136235      7.56206250    -16.49921050
  H     19.89046304     10.28816919    -16.10043476
  O     14.50975430      4.52407568    -13.13763769
  H     18.36003851      7.02885841    -15.42457098
  H     14.09810468      8.77241781    -10.67665095
  O     12.91387560      5.15164800     -9.79009427
  H     14.99852025      7.25908317    -16.23337143
  H     13.19818935      9.96443135    -11.08997713
  O     19.20580248      9.95802619    -15.52589689
  H     15.26791164      8.62437784    -16.86031531
  H     18.55333165      9.61046021    -11.43888658
  O     13.17657438      9.05617850    -10.76408746
  H     16.70545595      4.45217809    -15.81296360
  H     18.70001297     10.22621968    -10.03063458
  O     18.05466899      9.96996011    -10.68422250
  H     17.25130652      4.97460441    -14.47968120
  H     15.99465795     10.64388108    -15.35925364
  O     16.64801848     10.64593429    -14.64768101
  H     19.15535102      8.00883756    -13.04065999
  H     17.52450704     10.51684404    -15.03208384
          69
 Energy    -248.11335027204046     
  O     11.49367036      9.51732502    -14.84904348
  H     11.79973970     10.41997321    -14.99331356
  H     16.46711862      6.34306014    -14.25165827
  O     16.65230332      7.48308364    -12.65601233
  H     12.08718529      8.95338464    -15.36495390
  H     18.38454233      7.19603300    -13.45469517
  O     16.78288409     11.87777222    -12.77392355
  H     16.20905250      8.13051615    -13.22722011
  H     18.51468346      6.30078584    -14.67364988
  O     17.08750081     10.93325679    -15.32560974
  H     15.98664629      7.19577098    -12.01641349
  H     14.80654161     10.59672664    -17.44767293
  O     13.70408489      5.31283923    -15.29383179
  H     17.05479985     11.68989595    -11.86882566
  H     15.66068456     11.36333462    -16.41814592
  O     15.00950587     10.11505045     -8.96156017
  H     15.81875981     11.80273875    -12.76668949
  H     15.87576023      9.67094254    -14.79850377
  O     14.60111778      7.02941885    -10.85318703
  H     17.89404261     10.42587716    -15.47100855
  H     14.63957379      8.71554864    -14.95426533
  O     14.06382270     11.16419513    -12.95220564
  H     17.12542960     11.32795228    -14.43941840
  H     10.13481515      8.22950471    -12.32939089
  O     17.05302462      7.75367189    -17.14414798
  H     13.25825243      4.50600173    -15.53639791
  H     11.18703889      8.76057077    -13.33222335
  O     16.12331939      7.48918010     -8.53624328
  H     13.39110436      5.55068043    -14.40099315
  H     17.59926984      8.23039110    -11.16314366
  O     19.20904542      9.13560457    -15.82424740
  H     15.29510466      9.24528922     -8.65627972
  H     17.84091789      9.45900088    -10.26012452
  O     16.46431324      5.88512934    -15.10166722
  H     14.26981846      9.95546547     -9.56235226
  H     12.18898474      6.77332346    -12.76739419
  O     18.99364579      6.96799007    -14.16989538
  H     15.03432876      7.01663058     -9.99133149
  H     13.47996785      6.23852858    -12.12532420
  O     14.80891958     11.37353931    -16.87718683
  H     14.13826326      7.87913879    -10.91364622
  H     16.42095323     10.91825553     -9.65252743
  O     15.26073851      9.09558642    -14.32175417
  H     13.54431984     11.61132045    -13.63055819
  H     17.61164536     11.87669974     -9.42738765
  O     11.07306282      8.28535637    -12.48888054
  H     14.45169737     10.38967726    -13.39102027
  H     15.72470973      8.48225819    -17.94760414
  O     17.93428568      8.49784810    -10.29902144
  H     17.81407575      8.24357041    -16.81434912
  H     14.93851661      8.74676503    -19.25601239
  O     12.86681142      6.09225022    -12.85690201
  H     16.84272551      7.08877888    -16.47437930
  H     12.36929090      9.06696377    -11.38528139
  O     17.25836730     11.23320901    -10.03660433
  H     16.51710622      7.02321683     -7.80421015
  H     13.46814148     10.12407410    -11.61904598
  O     14.91091022      8.87711209    -18.31236526
  H     16.85477350      7.80264604     -9.09903082
  H     12.38028925     12.89606675    -15.55648564
  O     13.17541191      9.43562828    -11.00351794
  H     19.22789834      8.39794702    -15.19095129
  H     13.45871132     11.83550496    -15.87430052
  O     12.73111992     12.05871153    -15.26600308
  H     20.10968376      9.27907386    -16.10346269
  H     13.50112745      7.03108297    -15.98790677
  O     13.42208422      7.98202817    -16.13315752
  H     15.56211795      5.56206301    -15.21643741
  H     13.84173132      8.20636739    -16.97377699
          69
 Energy    -248.11325255135341     
  O     10.97519132     10.55969883    -12.01294121
  H     10.49953704      9.98264233    -12.62379022
  H     16.49397296      6.73342465    -16.77280163
  O     13.81659532      6.65253239    -14.64077189
  H     11.72472885     10.91018398    -12.51099645
  H     15.80050691     11.33678832    -15.59217120
  O     17.57360492     11.20696001    -11.53545486
  H     14.08393752      6.35623558    -15.51858318
  H     15.29229671     12.71654191    -16.02920131
  O     12.27571129      8.91063758    -15.13651841
  H     14.50932448      7.25547789    -14.32254045
  H     16.05664966      8.91617936    -14.45351217
  O     16.55892161      7.16189835     -9.93608650
  H     16.64750491     10.91191847    -11.56821305
  H     15.52814575      8.99054237    -12.99176047
  O     13.52804209      5.88983808    -12.02277256
  H     17.57111821     12.07466209    -11.13970878
  H     11.19429822      9.60446277    -10.56795059
  O     15.04232988     10.22605272    -11.73670133
  H     12.73991889      8.08319460    -14.94387722
  H     10.81538912      9.28313505     -9.10088141
  O     14.19446091      9.01388972    -17.22685777
  H     11.38364084      8.80368204    -14.78384200
  H     19.49774322      8.16212738    -12.06728632
  O     16.20319942      4.93656563    -11.75453074
  H     16.48400280      6.35379383    -10.45610670
  H     20.78343458      7.75239364    -12.83064261
  O     16.78665867      9.80577041    -15.90549944
  H     15.66842860      7.53239240     -9.90310352
  H     10.94114778      7.46215388    -11.00435454
  O     14.69627396      6.33887334    -17.29594451
  H     14.36307005      5.43870571    -11.84909627
  H     11.68954662      6.37912808    -11.80961614
  O     17.29158607      7.15730942    -16.43268699
  H     13.53043493      6.07736900    -12.97364064
  H     18.32593773     10.68673352    -13.19889381
  O     15.16970692     12.03684532    -15.36994580
  H     14.36618634     10.57713344    -12.33370184
  H     19.13260723      9.49405933    -13.74727677
  O     15.70747199      8.38952091    -13.72341049
  H     14.63505133      9.54812066    -11.17949429
  H     18.45076768      6.79526024    -13.42285960
  O     11.30845358      8.95728288     -9.84854846
  H     13.46909618      9.14528589    -16.60076817
  H     16.94720704      7.10791762    -13.59613126
  O     19.84688973      7.89189223    -12.93803747
  H     14.95635507      9.47839701    -16.86773472
  H     17.98285654      8.18952117    -10.33679781
  O     10.85658613      6.86378431    -11.75757995
  H     16.56662035      4.06420994    -11.62240041
  H     18.36001703      9.61392215    -10.82197918
  O     18.64939241     10.28507293    -14.01514478
  H     16.73169867      5.35469511    -12.45454959
  H     13.76863634      7.37517109    -10.95297327
  O     17.60062894      6.39244090    -13.64553649
  H     17.50946806     10.07089841    -15.31053421
  H     13.05759223      8.41224359    -10.04338079
  O     18.71640432      8.73265854    -10.66192711
  H     17.02149296      8.92792826    -16.24465811
  H     13.85066610     11.53500307    -14.21827306
  O     13.92252067      8.12531536    -10.36124845
  H     14.48824785      7.28683647    -17.38703720
  H     12.91386689     10.30656325    -14.15827617
  O     13.23540533     11.06033719    -13.64254963
  H     14.40994067      5.91404112    -18.09979221
  H      9.00218686      8.27534788    -13.91906615
  O      9.90336928      8.50323732    -13.70768354
  H     17.48551575      6.73296650    -15.58833948
  H     10.21417700      7.84895894    -13.05605228
          69
 Energy    -248.11322150683361     
  O     13.16740816     10.26920292    -10.30975089
  H     12.58812331     10.84131484     -9.81497201
  H     16.68851990      8.75930207    -15.73532745
  O     15.05516758      5.16569879    -11.77409693
  H     14.03814733     10.70901787    -10.34510104
  H     14.76793871      8.32333848    -12.74952196
  O     15.85365426     12.16873468    -13.17713744
  H     14.86598913      4.95127943    -12.70151842
  H     15.39986661      6.99769953    -12.25419024
  O     18.25511861     11.08416519    -14.34618523
  H     15.98939950      5.01337937    -11.58929232
  H     13.75220520      8.56254795     -9.70978202
  O     11.93775242      7.26356387    -16.05373576
  H     16.69527530     11.95336909    -13.59507605
  H     13.47412204      7.04975403     -9.82705001
  O     16.86154491      7.41748695     -9.41342486
  H     15.17334722     11.83490369    -13.77465009
  H     18.16339999      5.67145235    -11.90514550
  O     12.05907318      6.71610682    -13.30597626
  H     18.22916664     10.40732153    -13.64662201
  H     18.40409172      4.59398608    -10.82373042
  O     14.14410966     10.71407171    -14.94843628
  H     19.14432383     11.42709999    -14.36954566
  H     12.24411966      4.85021180    -10.26683948
  O     14.71587179      8.58861556    -17.86964951
  H     11.81358104      7.04117013    -15.12085654
  H     13.47763913      5.36960367    -11.04275934
  O     14.04189773      4.95144663    -14.29249980
  H     12.68887437      6.74240377    -16.35361040
  H     18.08214510      9.46795347    -11.49594295
  O     16.67911344      7.02634884    -15.16005946
  H     17.12996278      6.65314116     -9.93133383
  H     17.12437448      8.75503493    -12.48485459
  O     16.52655655      9.66822613    -16.02687532
  H     15.89226057      7.45034108     -9.41579534
  H     18.71832408      7.52272172    -12.94286089
  O     15.58455337      7.80873380    -12.74164013
  H     12.40177278      7.61336944    -13.16810919
  H     18.20789826      6.59708675    -14.05067597
  O     14.10667102      7.69290768     -9.48928021
  H     12.02518706      6.31191505    -12.43107919
  H     17.52346097      8.98474837     -9.55340747
  O     17.75749976      5.21555145    -11.14754644
  H     14.96279308     10.33890050    -15.30329144
  H     18.43057543     10.10661701     -8.98940555
  O     12.57983728      5.60443432    -10.74475671
  H     13.46439238     10.55630155    -15.61550852
  H     14.62554911      5.44962773    -17.64579211
  O     17.99152204      9.18248035    -12.41398263
  H     15.41744679      9.06147987    -17.40108716
  H     14.61670553      6.95826538    -17.30598348
  O     18.76594713      6.61125058    -13.26289535
  H     13.90419579      9.08295194    -17.70156176
  H     16.37595604     10.93582301    -10.25181662
  O     17.88753637      9.87176671     -9.73612662
  H     14.23445321      5.21157617    -15.19746347
  H     15.71799573     11.71095055    -11.43401200
  O     14.54271115      6.06540976    -16.92115789
  H     13.32702145      5.53583174    -13.99935706
  H     12.09481904      8.93097775    -16.57377607
  O     15.57284511     11.38639032    -10.53268882
  H     16.20792392      7.23558145    -14.33697701
  H     11.54620415     10.15973293    -17.33879509
  O     12.32243265      9.81915758    -16.90260454
  H     16.05391355      6.57018340    -15.73026525
  H     13.46159542      9.80380970    -13.54348007
  O     13.18061527      9.17847379    -12.86184025
  H     17.18876411     10.22016730    -15.59370162
  H     13.10354151      9.63966159    -12.01638471
          69
 Energy    -248.11298314123403     
  O     11.79202469     10.71476472    -12.17240231
  H     12.67682024     11.01292023    -12.43929627
  H     17.53168048      9.23970562    -17.10498420
  O     13.49470875      7.25135290    -15.02037497
  H     11.26828869     11.50360567    -12.04991094
  H     14.93561741      8.13386455    -14.32062974
  O     18.26154050      9.50844021    -10.66698327
  H     13.47339275      6.62625574    -14.28201251
  H     16.02566708      9.25649640    -14.29383394
  O     16.96555260     11.02548347    -17.40301032
  H     12.75639130      7.85702159    -14.87748378
  H     12.34996505      7.94218444    -10.43805949
  O     15.90438667      5.25311254     -9.70846668
  H     18.78410673      9.82871786     -9.93704000
  H     11.60674320      9.16250399    -11.03071809
  O     13.22679754      5.78809917    -12.69907321
  H     18.26004372      8.53498104    -10.61089280
  H     16.84735375      7.06009094    -13.56118196
  O     15.53620727      9.42375113    -11.34251199
  H     17.21785093     11.67628031    -18.05128832
  H     18.26859110      6.60652205    -13.90676285
  O     14.49872276     10.04887224    -17.78198510
  H     16.05578158     10.74625629    -17.61804702
  H     10.77062652      7.18751557    -11.82253273
  O     15.70682270      4.45857635    -12.29506298
  H     15.90328725      4.52584340     -9.09233056
  H      9.68082796      6.21001908    -12.33120729
  O     16.55762636     11.02585717    -14.62191512
  H     15.85149170      4.86628417    -10.60195711
  H     18.70928441      9.87713993    -12.48705470
  O     15.00129665      7.26021299    -17.32022160
  H     13.54354432      6.31823503    -11.95238869
  H     19.09439029      9.25248518    -13.85390121
  O     17.65328734      8.31130454    -16.87081110
  H     12.26484098      5.86383208    -12.68659373
  H     20.26755625      7.48669097    -15.33117463
  O     15.74492357      8.42675641    -13.88599283
  H     16.43538474      9.56063384    -11.01982643
  H     18.80818234      7.88643225    -15.65322835
  O     11.47201105      8.28057311    -10.66427082
  H     15.61755192      9.02319624    -12.22392331
  H     17.41782858      6.31256439    -10.21061372
  O     17.49180294      6.35607924    -13.39269306
  H     13.92625878     10.30376799    -17.04267868
  H     17.95546909      6.61617227    -11.62113376
  O     10.51057974      6.61479291    -12.56819371
  H     14.58468525      9.08945472    -17.74251219
  H     12.26493037     10.09833084    -15.26088691
  O     18.81275870     10.07034903    -13.42655343
  H     14.82937176      4.75141819    -12.57229557
  H     13.45483786     10.90748233    -14.72228440
  O     19.42463856      7.67529272    -14.92792485
  H     16.34727635      4.99495952    -12.78285580
  H     14.66344423      6.61402644    -10.05613332
  O     18.07772107      6.82997180    -10.68542217
  H     17.40564881     10.80773429    -14.20281952
  H     14.59741469      8.04115527    -10.67586882
  O     13.00209668     10.65620862    -15.53477503
  H     16.71772046     11.13437759    -15.56624456
  H     15.09911947     11.43503760    -13.58993008
  O     14.06909315      7.26025629    -10.45612049
  H     14.79744023      6.50983348    -17.87349086
  H     14.69031989     10.76692216    -12.27968228
  O     14.34500638     11.32452092    -12.99242649
  H     14.43913991      7.18365167    -16.53205701
  H     10.89080711      8.03360774    -13.79604920
  O     11.28600463      8.80731324    -14.21682005
  H     16.79642507      7.88834752    -17.00050168
  H     11.40818261      9.45351937    -13.50744419
          69
 Energy    -248.11294924665759     
  O     14.32316997     11.74213205    -13.61686986
  H     15.23645297     11.84385783    -13.32521158
  H     19.67799393      4.02190021    -13.45260978
  O     14.46689739      5.86335571    -13.66979736
  H     14.34732275     11.28001638    -14.46526173
  H     19.28607381      9.55277255    -13.27585683
  O     17.56088226      7.33992503    -10.82239480
  H     13.73633639      6.06611613    -13.06926778
  H     18.41745936      9.84675446    -14.47187292
  O     17.65651194      8.09791192    -15.09469733
  H     14.16419782      5.94564955    -14.58652603
  H     15.00512689      7.57302797    -13.66239032
  O     11.84937234      8.58337454    -16.10842780
  H     17.07247318      8.16952971    -10.91968224
  H     14.84595321      8.98880612    -14.31302966
  O     14.03588354      7.08780326     -8.38980442
  H     17.36000748      7.00127589     -9.94126512
  H     11.72027407     11.64809921    -11.84899121
  O     12.63819538      6.72395199    -11.76222546
  H     18.34205614      7.78680683    -14.49175803
  H     13.00650970     11.22159277    -12.59294938
  O     16.06674899      9.60244953    -11.30807793
  H     16.87073268      8.22297442    -14.54045826
  H     16.02543379      4.77394861     -9.38388587
  O     15.97570557      8.18741043    -17.23229337
  H     11.03191546      8.68174805    -16.58815185
  H     15.99824251      4.33636716    -10.85872422
  O     12.94494369      4.80114634     -9.75480997
  H     11.62054859      8.55863683    -15.16090344
  H     11.61279327      9.39074323    -12.99793479
  O     13.80838884      6.50679955    -16.24980263
  H     13.54737283      6.32947769     -8.73301119
  H     11.68483351      7.84965179    -12.90967197
  O     19.33188333      4.90941238    -13.49447984
  H     13.80133302      7.83469609     -8.95648025
  H     18.88924036      7.56458135    -12.11020935
  O     18.85590994     10.28629189    -13.73376174
  H     13.00021879      7.49482003    -11.30186571
  H     19.62178334      6.68544011    -13.13485215
  O     15.33611968      8.48106850    -13.65524278
  H     12.61365120      6.00891122    -11.11389069
  H     17.01263264      5.92005842    -11.87846663
  O     12.26573439     10.89292003    -12.05323228
  H     16.42003671     10.47054383    -11.52973576
  H     15.99769584      5.31229904    -12.89866274
  O     15.57540415      4.18620015    -10.00309112
  H     15.78078843      9.21163683    -12.15215347
  H     16.97982626      6.29179361     -7.48821926
  O     11.38578954      8.57886887    -13.46782059
  H     16.40322600      8.13305785    -18.08303177
  H     15.72457475      6.64090810     -8.32330152
  O     19.44037890      7.60793808    -12.90390098
  H     16.67560131      8.09723450    -16.56242291
  H     14.46453203      9.23427155    -10.59389284
  O     16.78947777      5.11992069    -12.37628174
  H     12.45377017      4.04802785     -9.43854641
  H     13.01127970      9.68418591    -10.82351537
  O     16.63681850      6.30334765     -8.37762185
  H     13.86531433      4.50576006     -9.87799985
  H     17.71223300     11.39071518    -12.99184508
  O     13.54539809      9.00952176    -10.38732054
  H     13.07134805      7.12992817    -16.27405231
  H     17.42518614     12.75089725    -12.31849005
  O     17.01834288     11.92479295    -12.56639218
  H     14.55253307      6.96489337    -16.65809680
  H     13.38829624      9.59069904    -15.96848623
  O     14.26762425      9.95929292    -15.80516761
  H     18.42314481      4.85775771    -13.15603839
  H     14.87114003      9.49652316    -16.40034139
          69
 Energy    -248.11265069611227     
  O      1.57647891      0.32650967      4.53194015
  H      0.99480818     -0.34219181      4.92472775
  H     -4.00971377     -2.45917992      3.72031758
  O      0.76163688      0.02894009     -2.92237920
  H      1.14861651      1.17429323      4.68908373
  H     -2.44850927      3.33734984      1.90920659
  O     -0.26688769     -1.62802351      5.28691226
  H     -0.05299843      0.27889624     -2.46889007
  H     -3.59878824      2.57346863      1.22994224
  O     -1.28927515      0.54034787     -0.96166771
  H      0.89291516     -0.90856496     -2.73264907
  H     -3.17071008     -1.39734269      7.24646292
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  H     -1.11094715     -1.48079885      5.72964742
  H     -3.40822164     -1.34045497      5.71481110
  O      3.04840736     -1.30278625     -0.29939378
  H     -0.47667020     -1.99005030      4.42000058
  H     -0.29361748      2.98621247      3.08954693
  O     -4.61819280      2.73542197      4.18085144
  H     -1.22235407     -0.41339813     -0.80299701
  H      0.00690197      2.58432809      1.60186881
  O     -3.26604633     -3.58355905      2.40003398
  H     -0.57259250      0.94563480     -0.45420019
  H     -2.09221365      0.59679991      3.66429203
  O      0.01862101      2.73262974      4.92215808
  H      1.70200950     -3.35704289     -2.31793231
  H     -1.35239719      1.21947778      2.47431042
  O      2.78052530      1.26759772     -1.57365092
  H      1.97323042     -2.21170921     -1.31033927
  H     -0.24705955     -2.45040827     -0.91416717
  O     -5.38596108      0.29415239      2.87378869
  H      2.68234722     -1.17032020      0.58627984
  H     -0.84388613     -2.24474896      0.51713501
  O     -4.29811244     -1.78736610      4.34721571
  H      3.14856959     -0.42395975     -0.68478579
  H      1.74404602     -0.34356045      2.91058934
  O     -3.41254942      3.30899708      1.82376489
  H     -4.20183725      3.02962808      3.35015651
  H      0.87188691     -1.36867246      2.15468375
  O     -2.83725400     -1.01878783      6.43812565
  H     -5.23612528      3.41507448      4.43656134
  H     -2.60030536      0.68045083      5.82871588
  O     -0.66956106      2.93064805      2.20141026
  H     -3.50871998     -4.50180098      2.31599255
  H     -3.22073071      1.90322683      5.05373582
  O     -1.81343299      0.41912875      2.75834031
  H     -3.55858200     -3.13701588      1.58500241
  H      1.61339123      1.56234586     -0.15466928
  O     -1.03776683     -2.18591906     -0.42662818
  H      0.21282352      3.35019267      5.62289198
  H      1.16484757      0.71123332      1.06375589
  O      1.60467521     -0.75360493      2.04188937
  H     -0.82648447      2.30737221      5.14778217
  H     -1.62548135     -2.72632725      2.48596340
  O     -2.39541760      1.47662378      5.32060898
  H      2.10199625      0.87939073     -2.15484651
  H     -1.20529201     -1.22626402      2.54090701
  O      0.93323082      1.48163843      0.52462904
  H      3.33050114      1.82222429     -2.11975016
  H     -2.89587832     -2.29257929     -0.25834279
  O     -0.86691307     -2.13056927      2.42495352
  H     -5.02842766      0.43663037      1.99082695
  H     -3.92042946     -1.25758815      0.23164434
  O     -3.77859264     -2.20516268      0.12930893
  H     -5.24561706      1.12211152      3.34975710
  H     -2.93427055      0.72658324     -0.08019253
  O     -3.58877371      0.65297699      0.62861700
  H     -4.75206079     -1.10317203      3.83441170
  H     -3.06931669      0.50615824      1.43585279
          69
 Energy    -248.11245258503749     
  O     18.02126303      9.00301676    -10.79152890
  H     17.59850079      8.19553668    -10.46770259
  H     18.07047652     12.44628297    -10.79456564
  O     14.12457847      9.88533122    -11.46194009
  H     17.37506511      9.51524850    -11.29018993
  H     19.82187482      9.17760770     -8.26448114
  O     19.43535858      3.17638896    -11.15234264
  H     14.53041042     10.12573463    -10.60822597
  H     18.81929527      9.62176317     -9.36107294
  O     21.34018604      6.92786789    -11.78704021
  H     13.24163968     10.24380105    -11.45984983
  H     20.17801776      9.85464694    -12.89506596
  O     15.40341534     10.56635057     -9.20026885
  H     19.51147091      2.24561476    -10.96272686
  H     19.24404597      8.94904274    -12.05449302
  O     18.04219004      5.38936225    -14.56212614
  H     18.56113275      3.31169242    -11.56213379
  H     20.20193589      4.14546344    -12.64403089
  O     22.95832669      8.29153655     -9.93247616
  H     22.00156078      7.33214758    -11.21251107
  H     20.85780816      5.51650982    -12.88249057
  O     16.69728181      8.66036292     -7.64370469
  H     20.87140004      7.65008755    -12.22980601
  H     17.28489982      4.30891505    -13.15201261
  O     20.78293964      7.67489252     -8.14699132
  H     16.07503099     11.25401569     -9.14868270
  H     16.39455837      4.17894796    -11.89304126
  O     17.15539347      6.68074382     -9.57264078
  H     15.71939577      9.86083644     -8.61690479
  H     15.61636069     10.37453033    -12.42656288
  O     17.77120671     12.21789859     -8.92607313
  H     18.05050085      5.00324895    -15.43483185
  H     16.72019984      9.76351779    -13.34559594
  O     18.26785452     12.42480386    -11.73819701
  H     18.91917920      5.21615385    -14.17441855
  H     21.37048979     11.03854468    -10.91818033
  O     19.27740040      9.92382218     -8.55857746
  H     23.88415397      8.41550600     -9.74266475
  H     20.84805662     10.55366258     -9.54402448
  O     19.81095734      8.96425057    -12.84352914
  H     22.56352849      9.17925184    -10.00755035
  H     15.85286948      7.62770305    -12.96199389
  O     20.39321375      4.79641258    -13.33003601
  H     16.79239799      7.86957063     -8.19407307
  H     14.69422989      8.21395663    -12.10704072
  O     17.10291038      3.74853024    -12.38815319
  H     17.57547283      9.05132160     -7.61665651
  H     18.27293323      8.37959304    -13.70404449
  O     16.52638883     10.48399570    -12.73258810
  H     21.61321742      7.81141237     -8.61974720
  H     17.53777515      7.15842351    -14.26721085
  O     21.64558245     10.65575333    -10.07596942
  H     20.38444355      6.89431715     -8.55225251
  H     21.08553878     12.27137828    -13.15177873
  O     15.07866453      7.39233887    -12.43609877
  H     18.01925281      6.25115891     -9.65108078
  H     19.83254483     11.97977792    -12.28978430
  O     17.39853223      8.07067144    -13.98078044
  H     16.49353811      6.10278676     -9.96802075
  H     15.07677271      5.96870136    -11.50239449
  O     20.69612750     11.62465765    -12.57000447
  H     17.88544652     12.88276720     -8.25067845
  H     14.31522304      4.94209446    -10.62249779
  O     15.18424942      5.18830587    -10.92663855
  H     18.34331391     11.47289504     -8.67950112
  H     19.65142165      4.74816016    -10.17037506
  O     19.70937129      5.66520013     -9.87493531
  H     17.60761964     11.84771736    -12.14737465
  H     20.23351871      6.12766107    -10.54445522
          69
 Energy    -248.11237306595365     
  O     16.54476526     10.56057287    -15.12774092
  H     16.52767843     10.24410107    -14.21005659
  H     13.33042468      9.98843049    -12.53387368
  O     17.07182435      7.20539269     -9.27669520
  H     17.17043702     11.30064431    -15.17097956
  H     14.88432692     10.07210825     -9.17931176
  O     18.39961969     12.54781633    -14.95098274
  H     17.65539972      6.57001355     -8.87068654
  H     13.49784970     10.34305155     -8.54630868
  O     14.26900889      7.21035966     -9.92759314
  H     17.19271504      7.12594185    -10.23880885
  H     19.27382667      5.71549596    -14.02510037
  O     14.50071622      8.76843010    -15.82108322
  H     19.26755357     12.12610518    -14.93673860
  H     19.58370938      4.22899113    -14.30910480
  O     18.81993559      8.90897797    -15.63166891
  H     18.26670096     12.95349386    -14.08576768
  H     16.83859211      8.03219486    -12.19557414
  O     20.67872716     10.84287171    -15.01914469
  H     15.16887455      7.10330932     -9.59794748
  H     16.76319068      6.52301013    -12.57856990
  O     19.56958610      7.38839070    -13.36938062
  H     14.02316037      8.11575419     -9.70450450
  H     18.46440836      5.83459332    -16.06889575
  O     13.76594171      6.46648914    -12.54640348
  H     13.86910049      8.82642239    -15.09403638
  H     17.19233766      6.41536339    -16.70744278
  O     15.12985918     12.66439023    -13.46102496
  H     15.15894500      9.46193243    -15.68483459
  H     17.46068804     14.42909054    -12.14143193
  O     12.68007441      8.66765385    -13.62012880
  H     18.62710998      8.10362287    -16.13441330
  H     16.61556700     13.27721174    -12.73405821
  O     13.83202392     10.64795524    -12.03556160
  H     17.99558581      9.40263972    -15.54676388
  H     15.03547411      7.18466190    -16.19561773
  O     13.92319641     10.00961626     -9.33160177
  H     20.09367335     10.13192454    -15.33336324
  H     14.73820348      5.87204939    -16.95905983
  O     18.91660499      4.90198859    -14.41850082
  H     21.43308420     10.85540131    -15.60280132
  H     17.01574118     10.19632656    -11.99584349
  O     17.20215290      7.15518246    -11.99550251
  H     19.32054938      7.93499444    -14.12889412
  H     15.50049068      9.97371240    -12.30272470
  O     18.15594371      6.48762545    -16.70813290
  H     18.78440053      7.32891606    -12.80318361
  H     18.03999852     12.02076247    -11.42207876
  O     17.50078168     13.51282956    -12.40302379
  H     13.94781768      6.64281769    -11.61018487
  H     19.00052399     10.78285473    -11.41306618
  O     15.35174926      6.27662750    -16.35165947
  H     14.48766023      5.92936369    -12.88519011
  H     20.21949735      9.03914638    -12.51128923
  O     16.39280125      9.68039814    -12.52752110
  H     14.57241356     12.08406279    -12.92298344
  H     20.55632971     10.38145276    -13.16499527
  O     18.18604200     11.14840433    -11.03490994
  H     15.37724930     12.14077986    -14.22874268
  H     17.21597585     10.46118202     -9.59697489
  O     20.31709262      9.97919022    -12.32086212
  H     11.75699954      8.49900804    -13.78987297
  H     16.86252335      9.07400338     -9.00708208
  O     16.60464482     10.00460089     -9.00430042
  H     13.05293562      7.84710378    -13.24691639
  H     15.81725465      5.65743002    -14.67458202
  O     16.14258455      5.34617050    -13.81796668
  H     13.74017943     10.45848780    -11.09246166
  H     17.03020363      5.00594116    -13.98596732
          69
 Energy    -248.11228472782642     
  O     16.83287693      9.43828906    -15.37375155
  H     17.56074562      8.82981537    -15.18780831
  H     13.93744358     12.18941953    -11.81101546
  O     14.48347416      8.54967617     -8.84067013
  H     16.04196716      8.90107149    -15.52411616
  H     17.78295519      4.37966624    -14.32736116
  O     16.72936314     12.12321806    -15.01972067
  H     14.97029349      9.38985910     -8.93677526
  H     17.97132886      3.17065843    -13.37909027
  O     12.50182816      9.66001163    -10.57279065
  H     14.46785008      8.34345079     -7.91062385
  H     15.20705739      7.68730425    -10.32273233
  O     14.61561486      7.82662682    -15.59282275
  H     16.88414212     12.60913737    -15.82575095
  H     15.70901722      8.28894901    -11.66740700
  O     18.77590763      7.67815056    -14.54099935
  H     16.77951632     11.17718802    -15.24839654
  H     18.40679083      6.13366796    -15.52715116
  O     20.57555529      9.58564923    -13.58349389
  H     12.83202789     10.56341093    -10.64651392
  H     17.26224798      5.40118739    -16.27748852
  O     17.92529264      6.47469361    -12.16279183
  H     13.08383183      9.21413481     -9.94554863
  H     18.66569586     10.06023495    -10.59574176
  O     11.62217653      8.35935475    -12.76709930
  H     14.38597039      7.44385047    -14.73335641
  H     18.93458027     11.35839931     -9.80800091
  O     12.91874705      9.95346494    -14.75663004
  H     14.84428935      7.08417914    -16.16492382
  H     15.15444865      4.96988217    -16.01733424
  O     14.38076941     11.86061430    -13.45903592
  H     18.45371843      7.29327553    -13.71225016
  H     15.06794647      4.92084954    -17.56281407
  O     13.71464288     12.23728703    -10.86506723
  H     19.49515405      8.27858716    -14.30753587
  H     15.37673238     10.37734547    -12.77450172
  O     17.51949822      4.00582023    -13.46646927
  H     19.99485736     10.36104234    -13.47682205
  H     16.40571271      9.51975031    -13.50929571
  O     15.54784471      7.45378422    -11.19251469
  H     21.44528551      9.91702824    -13.78830085
  H     18.12875549     11.89480771    -13.69964391
  O     18.09307296      5.26267258    -15.80678313
  H     17.81054344      5.57053827    -12.47878032
  H     18.50661227     11.48023587    -12.25347052
  O     18.31136462     10.94580938    -10.40237551
  H     17.08404988      6.74786991    -11.76803297
  H     12.98986484      7.12422296    -13.03771126
  O     15.41154872      5.43352433    -16.83617698
  H     11.91140778      8.82623926    -11.96230979
  H     14.40091726      6.86409017    -12.44742561
  O     16.00059218      9.65493831    -12.64541771
  H     10.68829557      8.19465355    -12.66896805
  H     19.99325478      8.84620019    -11.89231175
  O     18.86678398     11.64144726    -13.13513248
  H     13.44989243      9.29069972    -15.21560514
  H     19.00715903      7.78950745    -11.35698460
  O     13.81075475      6.63739388    -13.18023528
  H     12.38337277      9.45931677    -14.12300312
  H     15.10646180     11.45050130     -9.83025648
  O     19.49057022      8.58822782    -11.11001542
  H     13.81879865     11.25531563    -13.96953244
  H     16.56084024     10.91250798     -9.75506482
  O     15.70374904     10.89990468     -9.30977975
  H     15.13982806     12.09251230    -14.00701019
  H     14.39209456      5.04898446    -13.92017889
  O     14.82746271      4.34626968    -14.42332980
  H     13.31499500     13.09090057    -10.71991951
  H     15.66009343      4.15941174    -13.97336231
          69
 Energy    -248.11211917463328     
  O     16.70732195     10.02795223     -9.48853074
  H     15.98231356      9.97482426    -10.12629740
  H     12.09474728      7.46774910     -6.04117878
  O     13.97506248      4.47250794     -6.78566890
  H     17.41123142      9.45883593     -9.83436313
  H     17.34700271      4.92980770    -12.46044977
  O     11.84001706      6.33907034     -7.28803632
  H     13.95087764      3.59154533     -6.42284875
  H     18.54552664      3.96880320    -12.50836411
  O     14.68744448      9.42543742    -11.27440546
  H     14.23031590      5.07032737     -6.05970742
  H     14.87855741      5.24094544     -8.19016533
  O     18.65814313      8.32497661    -10.46608651
  H     12.45708984      5.60162245     -7.22967096
  H     15.23347814      6.72765233     -8.46115913
  O     20.35060753      9.19357354     -8.37954055
  H     11.82691494      6.62862950     -8.21217986
  H     17.09669498      9.40841271     -5.16179513
  O     17.98413469      5.81023896     -9.50898136
  H     13.88380422      9.79572755    -10.88957455
  H     17.56240147     10.45902808     -4.12663512
  O     11.93128635      7.30709314     -9.88078648
  H     14.56639706      8.46395569    -11.26014493
  H     17.67557613      8.50266891    -12.06346959
  O     15.04371860     11.72098017     -6.20647032
  H     19.37434258      8.62354850     -9.89230736
  H     16.24991176      9.00803674    -12.39060762
  O     12.36752051     10.17050297     -9.82923801
  H     18.41929636      7.43511941    -10.16578950
  H     14.46241834      8.86906921     -7.62313187
  O     13.10282718     10.04237997     -7.19285267
  H     19.74690766      9.87323032     -8.03126704
  H     15.81155337      8.95294964     -8.38499803
  O     12.34526644      8.10688449     -5.34604251
  H     21.23376637      9.54442112     -8.30409530
  H     17.76751222     10.77823133     -8.15887679
  O     17.97750288      4.44478008    -11.90734080
  H     17.05738072      5.75165498     -9.23707222
  H     18.06979863     10.78757693     -6.63762908
  O     15.30582856      5.83049820     -8.82248200
  H     18.07794720      5.24950177    -10.29111799
  H     15.44709403      6.77132075     -5.02361652
  O     17.18350864     10.36316007     -4.99647261
  H     11.97509693      8.26913273     -9.91618708
  H     13.91708182      7.00813829     -4.94260161
  O     16.99745349      8.51694334    -12.75271332
  H     12.64103269      6.99263853    -10.45486126
  H     14.85290059      6.30580797    -11.99014514
  O     15.26595364      8.37900611     -7.82960877
  H     15.74520243     11.26402915     -5.72001001
  H     14.67585244      6.25932115    -10.44646924
  O     18.45918743     10.95121564     -7.50414127
  H     15.48318190     12.41068957     -6.70093052
  H     19.59234262      7.64141153     -7.48782353
  O     14.59854841      6.32693669     -4.89625167
  H     11.66082702     10.80040487     -9.94742032
  H     18.77355281      6.40735510     -7.90690205
  O     14.31941255      6.64180906    -11.26246867
  H     12.58647796     10.17107179     -8.88187415
  H     17.69257175      7.39887741     -6.10161550
  O     19.06239077      6.91628718     -7.13732642
  H     12.77548274      9.46800827     -6.48775488
  H     16.28689027      7.96101605     -6.44154932
  O     16.88570709      7.76045164     -5.70545920
  H     13.71863603     10.68275754     -6.80578386
  H     15.86354016      5.98885591    -14.27263536
  O     16.16170477      6.02039018    -13.36732551
  H     11.64805743      8.09362645     -4.69568530
  H     16.50666028      6.91955877    -13.21595987
          69
 Energy    -248.11209051594741     
  O     15.47258021      3.04175802     -9.67421930
  H     16.00693667      3.65729257     -9.16220809
  H     12.02219284      7.96974224    -13.47986716
  O     19.07607123      6.31562457    -13.06365022
  H     14.58862488      3.44053523     -9.68459761
  H     15.28399964      5.37026161    -12.42564030
  O     14.72527211      8.53367623    -11.82352670
  H     19.92075749      5.87184101    -13.08610978
  H     14.58325774      5.38706864    -11.04137729
  O     11.96808433      8.48276925    -15.20648476
  H     18.70251826      6.15359008    -12.18184638
  H     15.41139865      2.40946294    -11.32503128
  O     18.69926260      9.19682011    -12.91758098
  H     14.95430049      9.00661826    -11.01551524
  H     15.55408786      1.20707713    -12.28345929
  O     17.78991004      6.01078198    -10.62214635
  H     14.94468308      7.59847289    -11.68276028
  H     16.52188591      9.40307510     -9.65413316
  O     12.43080947      6.02136508    -16.63551918
  H     12.73257097      8.99230505    -15.50314377
  H     15.63773187     10.50071017     -9.00871157
  O     16.62280096      5.25200606     -8.19127238
  H     11.96060045      7.69269742    -15.76021481
  H     13.75011475      7.08053775     -8.90868342
  O     14.42172430      9.66783663    -16.12783967
  H     18.97431926      8.28144602    -13.04816882
  H     14.95343317      8.01659509     -8.70959443
  O     14.95423538      6.97497670    -16.93093635
  H     17.86734194      9.28285325    -13.40043727
  H     15.63832207      8.87043366    -13.31842514
  O     16.89078563      6.35021656    -14.89092667
  H     16.90255781      5.96349829    -11.01060437
  H     16.37278295      8.03661167    -14.41070423
  O     12.26885629      7.59020133    -12.62372591
  H     17.66415372      5.69945182     -9.71812406
  H     18.30229803      9.11503669    -11.12728938
  O     15.22165909      5.85561022    -11.59374517
  H     12.09862870      5.68146108    -17.46167890
  H     18.00371704      7.86852988    -10.27981191
  O     15.24903699      2.10945761    -12.23674468
  H     13.35272188      6.29483233    -16.79187664
  H     11.99114775      7.20490274    -10.87599804
  O     15.60869100      9.63065263     -9.39558740
  H     16.82744705      5.21113323     -7.26065508
  H     11.17117512      7.29801975     -9.57322892
  O     14.62311819      7.13142065     -8.50666419
  H     15.89109424      5.88743262     -8.28339035
  H     15.35403565      3.50631574    -13.43011727
  O     16.13394090      8.93738391    -14.14763877
  H     15.05501004      9.51920001    -15.40412064
  H     14.35865065      4.55273086    -14.03387541
  O     18.01385034      8.83254232    -10.24772530
  H     14.64249131     10.50950256    -16.51798485
  H     12.61765800      5.22972166    -10.01924012
  O     11.99460846      6.97565117     -9.93194409
  H     14.81931866      7.92132120    -16.79060342
  H     12.76598694      3.91956551    -10.86349394
  O     15.29672345      4.33865994    -13.91779611
  H     15.70644655      6.72525798    -16.38134427
  H     12.38224959      3.58765392    -12.97579241
  O     13.17956929      4.46334830    -10.17587783
  H     16.36413918      5.58375434    -14.61834981
  H     13.29513551      2.49187455    -12.37382484
  O     12.42518067      2.90119858    -12.29500578
  H     17.71204612      6.30394024    -14.38651278
  H     12.52552503      5.92018196    -13.48294127
  O     12.64988186      5.12037765    -14.01045038
  H     13.10827623      8.00732877    -12.37851423
  H     12.48057891      5.35677851    -14.93179960
          69
 Energy    -248.11207408863498     
  O     -6.04244301      2.82856178     -0.17951257
  H     -5.10079650      3.04528067     -0.21898401
  H     -5.89148388     -0.39227312      3.82275332
  O     -4.60223602      2.20947222     -4.34765815
  H     -6.33710210      3.06716393      0.70858265
  H     -0.00052812      2.37324387      3.41708956
  O     -6.59872531      3.30078657      2.52966812
  H     -5.41481511      2.36387518     -3.83247956
  H     -0.08064793      1.95755102      1.94602333
  O     -3.32167516     -2.24881932      2.84910367
  H     -4.71416993      2.65734916     -5.18162463
  H     -3.25968362      2.36375896      0.38180691
  O     -4.24615340     -1.41507909      0.29313048
  H     -7.16385121      3.92491377      2.97704431
  H     -2.83745193      3.84654137      0.42804445
  O     -4.93309146     -0.59269835     -3.76054871
  H     -5.69925421      3.43526466      2.87938973
  H     -1.36186372      0.55470310      1.04823303
  O     -6.56795133      0.06473763     -0.06187893
  H     -4.01922858     -1.88899046      3.41069534
  H     -0.18828797     -0.05218574      0.23101075
  O     -2.74374513     -0.71800517     -1.95750340
  H     -3.63708537     -2.13705128      1.94314009
  H     -8.03836775     -0.96383216     -3.12216272
  O     -2.52782045      2.03995339     -2.49440781
  H     -3.74595287     -1.29271941     -0.52544821
  H     -6.54762178     -0.54714169     -3.08578730
  O     -1.12537134     -0.68614722      3.58412990
  H     -5.11238850     -1.00456295      0.16046180
  H     -3.90503844      0.45621682      4.34660694
  O      0.04734275     -0.86164851     -1.46669219
  H     -4.76043246      0.29373527     -4.10140837
  H     -2.38082798      0.50277086      4.06185378
  O     -5.25731877     -0.80900081      4.43321902
  H     -4.17412184     -0.81642711     -3.20736245
  H     -6.85462600      1.42479611      2.71169964
  O     -0.09403395      2.72842998      2.53450306
  H     -6.33428021      1.00213354     -0.11980978
  H     -6.89929050      0.20117460      1.77550615
  O     -3.28785597      3.19585951     -0.12158958
  H     -6.97188927     -0.17047908     -0.90600147
  H     -3.54881535      0.08662060      1.01475494
  O     -0.40091736      0.42689706      1.03808922
  H     -1.82347602     -0.97320338     -1.82407420
  H     -3.20508955      0.96616373      2.25757727
  O     -7.42112479     -0.38247468     -2.68692663
  H     -2.72974952      0.24093636     -2.08901897
  H     -1.24011587      3.98718918      2.09379597
  O     -3.17913266      1.05057826      4.11432347
  H     -2.77834656      2.53279723     -1.70019473
  H     -1.52461830      5.50191139      1.97783932
  O     -6.89658924      0.46087585      2.70565794
  H     -3.20727743      2.18301879     -3.16559033
  H     -6.65323133      2.68226002     -1.92374566
  O     -3.13030361      0.90970153      1.29684665
  H     -0.69316766     -0.44975530      2.75586060
  H     -7.20303971      1.53678436     -2.80437984
  O     -1.92087942      4.64255845      1.86052749
  H     -1.79775050     -1.34581932      3.34878537
  H     -3.72650107      2.76474082      3.80740764
  O     -6.83320586      2.42755493     -2.83929847
  H      0.18875951     -0.04596626     -1.97936320
  H     -3.37063460      4.01449908      2.96747601
  O     -4.08210130      3.59768318      3.46516137
  H      0.73008859     -1.47573363     -1.72382393
  H      0.66837914      2.31535974     -2.79760261
  O      0.16046449      1.50800288     -2.80172851
  H     -5.76396473     -1.15510252      5.16272396
  H     -0.77235831      1.77465162     -2.75236750
          69
 Energy    -248.11191857604757     
  O     14.27303993      7.67265062    -10.65024547
  H     13.44979371      7.40096381    -11.06720316
  H     13.25138967      8.30815434    -15.71455847
  O     14.40731734      5.37771046    -13.45553131
  H     14.75959089      6.86343428    -10.41401374
  H     17.04484787      6.85649781    -16.15939129
  O     16.23020827     11.46803093    -11.16575598
  H     14.93848687      6.18530480    -13.37335696
  H     17.93260630      6.02077296    -17.10825776
  O     18.28906531     10.36221395    -12.87100723
  H     14.94166633      4.67774250    -13.06107707
  H     16.65211252     10.09123904    -15.43552381
  O     11.47150330     11.01899325    -15.63639775
  H     16.20644071     12.40328211    -10.97727130
  H     16.18406729     11.53868056    -15.74656888
  O     15.93404765      5.57734826    -10.10239831
  H     15.56690506     11.30669545    -11.85630770
  H     16.72454936      7.68377763    -12.76035221
  O     12.72023125      8.99280434    -14.11436432
  H     17.91214903     10.66297270    -13.70845015
  H     15.29054650      7.88665782    -12.19803925
  O     14.55200799     11.03249166    -13.32413640
  H     17.72609531     10.75139378    -12.19199322
  H     16.64390707      2.86367682    -12.24114143
  O     14.82274174     12.29401221    -16.67652606
  H     11.72344903     10.27292613    -15.07474295
  H     17.05917583      4.24929552    -12.79451109
  O     14.47207618      5.47112306    -16.27797116
  H     11.86821016     10.84215330    -16.49892384
  H     12.93162347      6.15436371    -12.80562628
  O     16.21654954      8.35338492    -15.64701860
  H     16.12600362      4.91755001    -10.77922832
  H     11.45888559      6.23874030    -12.33610333
  O     13.60500031      8.06072432    -16.58195037
  H     16.76626870      6.02461873     -9.90436355
  H     18.50534353      7.54666964    -11.43800631
  O     17.34173392      5.95308907    -16.36189816
  H     13.38765926      9.57100018    -13.72050586
  H     18.55441912      8.61201919    -12.58221338
  O     16.70776255     11.00776159    -15.12896169
  H     12.50526436      8.29797539    -13.48183037
  H     17.93308357      5.40696112    -14.63946161
  O     15.79152601      7.74275380    -13.01005587
  H     14.00209631     11.76191098    -13.64035058
  H     18.40968712      6.04828053    -13.30988486
  O     16.37833581      3.77805849    -12.27922558
  H     15.30512597     10.97307980    -13.93082682
  H     18.74412276      7.35148842     -8.87671887
  O     12.25624570      6.75164933    -12.44048788
  H     14.27848802     11.67851784    -17.18303868
  H     17.51762332      8.05795720     -9.50451598
  O     18.48873410      7.66225936    -12.39708396
  H     14.22987120     12.69030687    -16.02695750
  H     12.85649806     10.23436921    -18.84570158
  O     18.14667994      5.21247077    -13.71936359
  H     15.42527314      5.45652722    -16.42362296
  H     13.27497800      9.50089501    -17.55124977
  O     18.15889032      7.33381692     -9.62891381
  H     14.35949641      5.31518144    -15.33052606
  H     15.44430509      8.77713426     -9.74725306
  O     13.06723316     10.37402634    -17.92596796
  H     15.35321970      8.31640152    -16.07972720
  H     16.27625933     10.05487690     -9.96456627
  O     16.24723703      9.23358104     -9.45901597
  H     16.05733731      8.18575259    -14.70447800
  H     12.33650626     12.36350798    -14.93709324
  O     12.97076332     13.00056093    -14.56112890
  H     13.78725346      7.10952799    -16.57245473
  H     12.48453429     13.79981295    -14.37962623
          69
 Energy    -248.11188816347413     
  O      1.42929503     -0.34394391      5.34703566
  H      0.99548992      0.52202805      5.23709768
  H     -1.99841058      4.33374277      0.28256218
  O      1.23106626     -2.01344208     -2.98791875
  H      2.14744970     -0.21603603      5.96079133
  H     -2.85416902      0.91273643      5.46831240
  O     -0.99575197     -1.77586246      5.69839782
  H      1.20163923     -2.38112691     -3.86824197
  H     -2.32562020     -0.56936915      5.52324179
  O     -0.27759453     -0.56056883     -1.17332255
  H      1.35981598     -2.76192174     -2.38726510
  H      0.52555191      1.62677823      1.65079230
  O      1.50220409     -3.94427584     -0.91672087
  H     -1.04954356     -2.26543226      4.87099037
  H     -0.64972531      2.67199278      1.67327061
  O      2.92249312     -2.23516849      0.63080617
  H     -0.13698565     -1.33284404      5.68570402
  H     -2.92107911      0.93544026     -0.57790548
  O     -3.65492948      2.96449732      3.05203256
  H     -0.65430744     -1.33438155     -0.73296168
  H     -1.50725896      0.83736189     -1.17354030
  O     -3.91377067     -3.52359096      2.82316406
  H      0.23081564     -0.90517101     -1.91999837
  H     -2.33042299      0.08963660      3.45773786
  O      0.17217164      2.00074877      4.95405869
  H      2.06936857     -3.37054387     -0.37008551
  H     -1.28410088      0.70723352      2.47821002
  O     -5.73875060      1.09395835      2.37486673
  H      1.89151096     -4.81442134     -0.89878809
  H     -0.19479116     -3.42890215     -0.25139561
  O     -5.15827099     -1.09811615      3.84922526
  H      2.54248358     -2.23509903      1.52185902
  H     -0.98385947     -2.96346183      1.01053906
  O     -2.01834353      3.49842023      0.74146386
  H      2.83522716     -1.32100156      0.34291129
  H      0.55104205     -2.14869148      2.92284948
  O     -3.02219415      0.00856549      5.17866408
  H     -4.37794733      2.37623044      2.80311801
  H      1.50556899     -1.23257238      3.72940461
  O     -0.09752916      2.10031041      2.22012264
  H     -3.15969445      3.15969656      2.24775648
  H     -2.92740601      2.88131063      4.62931651
  O     -2.22479780      1.45953741     -0.99846968
  H     -4.35948895     -4.35501370      2.96260338
  H     -2.88116275      3.41974832      6.07922502
  O     -1.90845240     -0.01914560      2.59428508
  H     -3.96877615     -3.32830009      1.86960043
  H      1.39306885     -0.34825437      1.51814024
  O     -0.99825637     -2.98443200      0.04573647
  H      0.16745020      2.13619853      3.99469742
  H      0.87197880      0.04409445      0.10446387
  O      1.40410672     -1.69957540      2.88968942
  H     -0.68929991      2.30492921      5.25998007
  H     -1.44595085     -1.69088667      2.74541641
  O     -2.52715686      2.74410164      5.50759770
  H     -5.60199967      0.29795015      2.92104064
  H     -2.11899590     -3.07160272      2.94760836
  O      1.46184164      0.31931420      0.82177693
  H     -6.67676294      1.26340348      2.36589778
  H     -3.94275753     -1.86155993      0.23908917
  O     -1.25857559     -2.63699904      2.87706269
  H     -4.48007981     -0.74001132      4.44212360
  H     -2.90147353     -2.96410884     -0.04650317
  O     -3.81949131     -2.82158924      0.21703994
  H     -4.80797330     -1.93228020      3.51989971
  H     -3.17113786     -0.06197722      1.28099728
  O     -3.88492073     -0.06038834      0.62487759
  H     -2.09609805      2.80518379      0.06070695
  H     -4.63820304      0.35280536      1.06312367
          69
 Energy    -248.11153752478128     
  O      2.53478641     -0.54088109      4.32091080
  H      2.12643459     -1.02292068      3.58927560
  H      1.54873443     -0.16988205     -0.64049616
  O      2.63408394      3.07538435      6.64083922
  H      2.32523934      0.39709857      4.21469573
  H     -2.44081491      2.84442061      1.57684778
  O     -2.37308527     -4.22285709      6.40268234
  H      2.89589555      2.26859550      7.12075201
  H     -1.83133357      1.42213194      1.60093460
  O     -1.25050810     -1.71886430      9.48269787
  H      3.22475563      3.76747474      6.92450825
  H     -1.38700560      0.98984025      4.90387213
  O      2.07518912     -3.88268876      6.64884111
  H     -2.84161998     -3.43628051      6.69839283
  H     -1.38062143      2.09014793      3.80750032
  O      1.14680118     -1.97715530      2.39875142
  H     -1.66394413     -4.35233766      7.04970357
  H     -1.78841466     -0.88565694      1.54163315
  O      1.21252601     -4.23145835      4.12982197
  H     -1.25987994     -1.69426680     10.43622886
  H     -0.81373599     -0.26597272      0.51885490
  O      3.94707791     -1.48995223      6.53352408
  H     -0.66412373     -0.99936327      9.18829053
  H     -0.55865770      2.47372204      6.42252098
  O      3.14758984      0.78180117      7.98220744
  H      2.67942229     -4.57786819      6.89899335
  H      0.75490271      2.91216961      7.10161315
  O     -0.32086494     -4.19163359      8.26012361
  H      1.81237272     -4.06331645      5.72624217
  H      0.11275260      2.35331209      1.59147135
  O     -1.60580247     -2.07914813      2.94122564
  H      0.20087993     -1.98173745      2.60439337
  H      1.43294301      2.20617685      2.36508733
  O      1.10081640     -0.24607771      0.19739880
  H      1.23876138     -1.47979130      1.57641462
  H      1.33140397     -1.03153588      5.55903554
  O     -1.77902563      2.30744832      2.00417404
  H      0.28829169     -4.49625808      4.03983627
  H      1.02595819     -2.28427375      6.40318180
  O     -1.04443993      1.86743517      4.68480035
  H      1.35456033     -3.54039285      3.47073486
  H     -1.90115116     -4.56932815      4.78960672
  O     -1.69480753     -0.16822172      0.89985476
  H      3.64781783     -1.14817692      5.67743027
  H     -2.00679246     -5.52291586      3.57424659
  O     -0.13789811      2.59328604      7.28381864
  H      3.45126534     -2.30322508      6.65957131
  H      0.11274201      1.03639750      8.12713588
  O      1.04799389      2.14267903      1.48074282
  H      2.28991491      0.52764692      8.34166818
  H      0.53473843     -0.37110169      7.62291398
  O      0.68768752     -1.41346387      6.17357654
  H      3.51156018     -0.00606354      7.55504328
  H     -4.11035719     -1.46914844      7.93959903
  O     -1.58329967     -4.72604114      3.88156596
  H      0.53887168     -4.09960649      7.83568596
  H     -2.61928028     -1.71042069      8.26077529
  O      0.37288011      0.15101800      8.42318149
  H     -0.50004313     -3.36334291      8.72119226
  H      0.75181799      1.99871782      4.39171979
  O     -3.27640169     -1.71600234      7.54681034
  H     -1.77522180     -1.58541467      3.75604182
  H      2.09995864      2.50860661      4.97124041
  O      1.69833920      2.08310253      4.20330086
  H     -1.68933527     -3.01496216      3.16190395
  H     -0.94127006     -1.02052233      5.62726350
  O     -1.82117095     -0.72356485      5.34520153
  H      1.16175106      0.62529806      0.62939561
  H     -2.43029717     -0.97636862      6.04772209
          69
 Energy    -248.11148784484021     
  O     -3.18989527     -5.00773889      3.04971765
  H     -3.27040311     -4.78349468      3.97250391
  H     -4.47130630     -5.68546418     -3.16149307
  O      2.27516687     -4.23343683     -3.92668712
  H     -2.47165408     -5.66331608      2.98237957
  H      3.68872572     -6.75911935     -0.33308665
  O      0.73056681     -8.27042062     -0.53824583
  H      2.68246611     -3.58714469     -4.49685691
  H      4.53334055     -6.05599846      0.75458562
  O      2.37145647     -7.06595566     -3.69239498
  H      2.54072356     -4.01570442     -3.01516205
  H     -3.98965408    -10.87105419     -0.97254636
  O     -2.98512948     -8.03649019     -2.82940144
  H      1.63977136     -8.43242812     -0.81150908
  H     -4.45358074     -9.41288913     -0.73692444
  O     -2.57503283     -6.41183725     -0.45285036
  H      0.75603634     -7.47080431      0.00969669
  H     -4.05252119     -1.68893978     -1.18834523
  O     -0.39825867     -4.70802423     -3.08727304
  H      1.42909006     -7.28135443     -3.65221186
  H     -3.48622786     -2.98369034     -0.56160788
  O     -6.18554108     -4.56869334     -0.90660942
  H      2.42061071     -6.11886908     -3.87029731
  H     -4.18992373     -6.28224174      0.47628897
  O      3.43915816     -8.14733887     -1.48007915
  H     -3.20364764     -8.78699963     -2.26333241
  H     -4.54504988     -5.81132514      1.88845979
  O     -5.69479082     -8.21161940     -0.70196048
  H     -3.80132716     -7.53804676     -2.97793987
  H      1.93847500     -5.95246747      0.95147559
  O     -1.68253330     -8.79406613      0.76046512
  H     -2.75546293     -6.74646865     -1.33723387
  H      0.64192770     -5.23313507      0.50392605
  O     -5.13385105     -6.29781550     -2.80332311
  H     -2.21405180     -7.15434674      0.04894537
  H     -0.12207269     -4.12671567     -1.39901838
  O      3.71298738     -5.99917988      0.27018359
  H      0.42490259     -4.45441375     -3.52144455
  H     -0.71930838     -3.64017924     -0.05262193
  O     -3.66953863     -9.98096073     -0.85346305
  H     -0.40676049     -5.67636982     -3.06445409
  H      3.20205787     -4.45166702     -0.77648253
  O     -4.06343290     -2.63993539     -1.26284706
  H     -5.57985220     -3.82711602     -1.02656510
  H      1.91639434     -3.61569130     -0.93971475
  O     -4.93453417     -6.17734567      1.08759679
  H     -5.88912644     -5.02226279     -0.10682226
  H     -1.41093815     -7.61294418      2.21684762
  O      0.97659619     -5.98335424      1.01653168
  H      3.11329330     -7.75265767     -2.31069193
  H     -0.38393260     -6.46898515      2.24449788
  O      0.11128631     -3.83038798     -0.50610284
  H      3.99165483     -8.88486967     -1.72439001
  H     -2.68882341     -4.05733505      1.48824884
  O      2.80159597     -3.75316120     -1.30595025
  H     -5.63958471     -7.61506980      0.05606142
  H     -2.42240928     -4.73803431      0.13130105
  O     -1.18245132     -6.79585516      2.67889776
  H     -5.64820111     -7.64420872     -1.48208635
  H     -0.02383323     -7.77203712     -2.15068864
  O     -2.42744325     -3.87461135      0.57828066
  H     -2.33110867     -9.31251123      0.26718948
  H     -1.24336504     -7.73358380     -3.11270388
  O     -0.31431152     -7.47897653     -3.02508813
  H     -0.83795214     -8.85102777      0.29212364
  H     -3.48262582     -3.71972922     -2.74570465
  O     -3.21977470     -4.40415236     -3.37342901
  H     -5.66074914     -5.74305436     -2.20960358
  H     -2.25576502     -4.43015071     -3.35869102
          69
 Energy    -248.11145902540801     
  O     11.73157757      3.36991774    -10.86604563
  H     11.44807794      3.89383003    -11.62600562
  H     12.93473802      8.43509941    -13.71795331
  O     18.06111419      5.05682368    -10.44199262
  H     11.56363777      3.92418583    -10.09407182
  H     12.85913059      5.75040858    -12.11450786
  O     14.29260449      8.66340505    -12.43528962
  H     17.39823135      4.43651613    -10.10398093
  H     13.93587019      6.87360624    -12.05487999
  O     14.57197172     10.07082859    -14.92280157
  H     18.01657234      5.00906828    -11.40403159
  H     13.22751420      2.44815949    -11.02881756
  O     17.95224846      7.64357845     -9.73759666
  H     14.01193713      9.04062670    -11.59071576
  H     13.88987784      1.05513643    -11.11441129
  O     14.12612867      5.53282874     -9.10171881
  H     15.22905240      8.41632145    -12.37292922
  H     14.13572053      8.99558761     -9.44848628
  O     15.97363161      3.46934928     -9.53674895
  H     13.71244028      9.76376085    -15.22322951
  H     13.37884378     10.34698710     -9.51874407
  O     11.34943367      5.26304989     -8.74765452
  H     14.58035117      9.84251452    -13.98401890
  H     11.94033723      8.31502091     -9.91415546
  O     16.96121590      8.57200406    -15.09232837
  H     18.77841255      7.90843486     -9.34326173
  H     10.78326425      7.82760916    -10.81614044
  O     17.21700888      6.02053693    -15.94386335
  H     18.02097421      6.68665633     -9.91724789
  H     17.30225989      7.93722506    -11.46038227
  O     17.42166674      5.25384439    -13.21454932
  H     14.04664941      5.65221927    -10.06037765
  H     17.04144790      6.94417986    -12.61693555
  O     12.16825585      8.37729239    -14.30504874
  H     13.22863240      5.37931275     -8.78552082
  H     14.95511605      7.11358150     -8.74181556
  O     13.76267905      5.95174642    -11.83657006
  H     15.36801366      4.15773335     -9.22905739
  H     16.24748048      7.92080311     -9.01300032
  O     14.07489333      1.98901146    -11.16576245
  H     15.42268385      2.86415704    -10.04428596
  H     10.78612559      8.16527843    -13.21316183
  O     13.44438841      9.48920950     -9.92937515
  H     11.25449730      6.13781764     -9.16573466
  H      9.28840712      8.29355477    -12.84596796
  O     11.20475400      7.69273945     -9.95919230
  H     10.76757928      5.25464450     -7.99248931
  H     14.64513657      4.60248449    -12.59466672
  O     16.89694508      7.85850152    -12.33227347
  H     16.18540282      9.13617335    -15.20543152
  H     14.81022166      3.07292880    -12.48922174
  O     15.32371464      8.00860431     -8.75065676
  H     17.08994603      8.48458422    -14.13929889
  H     11.51232450      5.34139754    -13.81476834
  O     10.10655098      7.88416490    -12.57654802
  H     17.12476813      6.96493104    -15.72314252
  H     10.69958135      6.07935571    -12.72591289
  O     15.05992862      3.83655906    -13.02128180
  H     17.83684868      5.96617129    -16.66608086
  H     13.07492049      5.48310323    -15.56650076
  O     11.23630223      5.29400695    -12.88961383
  H     17.50793454      5.42654601    -14.15951894
  H     11.73066084      5.59292546    -16.32152877
  O     12.16453534      5.82583616    -15.50511626
  H     16.66289762      4.65985415    -13.11600596
  H     15.49399069      5.25200637    -15.79983426
  O     14.64720989      4.84719814    -15.57947893
  H     12.23910531      7.54172936    -14.78686553
  H     14.78572515      4.36155917    -14.75416010
          69
 Energy    -248.11143433375264     
  O     11.82612383      8.86345229    -14.78560510
  H     12.58995744      8.51475962    -15.26869487
  H     16.07388440     11.36567767    -15.04204290
  O     17.02807735      6.80525533    -12.02352431
  H     12.05286317      9.77623306    -14.57643699
  H     16.36984863      9.32618988    -13.82798586
  O     17.49892275     10.72475480    -14.03897318
  H     17.29735371      7.25262928    -11.20835198
  H     16.20938099      7.93529911    -13.13743605
  O     15.48853951      5.47455948    -15.80100409
  H     16.27637665      6.25819531    -11.76423595
  H     10.61953737      6.32894891    -13.31956991
  O     14.10968648      8.46254614     -8.55182136
  H     18.22376126     10.22952908    -14.44435607
  H     11.54625175      7.48665954    -13.75889774
  O     14.73735299      5.64083167    -10.91130215
  H     17.76466769     10.98289688    -13.14724456
  H     16.88755754      8.74051929     -9.64493287
  O     14.00694264      9.97365805    -12.07932091
  H     15.56565749      4.62282963    -16.22306149
  H     16.98753571      7.33184415     -8.99908305
  O     17.43434851      7.55779405    -16.63770783
  H     15.00244972      5.32380964    -14.97003347
  H     13.10069412      5.64966171    -13.53967336
  O     15.62843366      6.22698100     -8.25920897
  H     14.64654202      9.19567547     -8.87532993
  H     14.25321019      5.13965411    -12.66197901
  O     19.30274423      8.99064175    -15.29554874
  H     13.51523181      8.22694093     -9.27773216
  H     18.60338836     12.15683914    -11.08897802
  O     19.66066833      7.46199572    -12.90323597
  H     14.09499287      6.36607673    -10.93446906
  H     18.76764970     10.61903293    -11.15687017
  O     15.26825581     11.47383901    -15.56573606
  H     15.06600374      5.61641333    -10.00521857
  H     19.81694233      8.61823939    -11.50135225
  O     15.74931778      8.60353153    -13.66325790
  H     14.60992040      9.45344206    -12.63404159
  H     19.08052639      8.73775179    -10.15229495
  O     11.49584846      6.68724934    -13.20513478
  H     13.55440265     10.58192358    -12.67402255
  H     16.62092236     10.72291069    -10.42635732
  O     17.47408456      7.97951183     -9.52161974
  H     16.87124013      6.85584454    -16.29305270
  H     15.19732081     10.22030459    -10.73480042
  O     13.94692259      5.18789386    -13.57622934
  H     16.84838209      8.19764890    -17.06095695
  H     14.71507808      8.20722817    -15.05374455
  O     18.16767564     11.35732167    -11.37268979
  H     15.57803452      5.83685097     -7.39093300
  H     14.47213843      7.00819757    -15.98420258
  O     19.66542898      9.21622037    -10.75460335
  H     15.04659198      7.00906095     -8.25226316
  H     13.18546774      8.54652621    -11.35946401
  O     15.88206181     10.22874900    -10.05035223
  H     20.06227398      9.10559322    -15.86092832
  H     12.26123043      7.34053879    -11.63413857
  O     14.20438321      7.92239235    -15.82994927
  H     18.67049012      8.43416685    -15.78415796
  H     13.74395531     11.49981050    -14.70549477
  O     12.85014431      7.72396097    -10.97291375
  H     18.79532707      7.06862554    -12.73195179
  H     12.51416966     12.32426048    -14.26135931
  O     12.91770314     11.46328380    -14.19097529
  H     19.57942746      7.93392670    -13.74019583
  H     14.92317580      8.94943096    -17.06099548
  O     15.50799429      9.48329078    -17.62769439
  H     15.39082334     10.92546872    -16.34898036
  H     15.10648270      9.50761635    -18.49298734
          69
 Energy    -248.11111533579293     
  O      1.51872105      2.32248817      3.13993126
  H      1.98249589      1.47900766      3.17445885
  H     -1.79885967     -2.97630342      3.53201445
  O      0.87486659      3.23919456      0.48362554
  H      1.39295193      2.55104753      2.21106712
  H     -4.59511317      0.04352870      5.09004543
  O     -1.34365253     -1.42154233      4.43597131
  H      1.09998603      4.14747406      0.29882748
  H     -4.08552183     -0.71179889      3.84120111
  O      1.38313637     -3.36803007     -2.56887482
  H     -0.09857765      3.19182235      0.50075224
  H     -2.69741576     -0.44585876     -0.35103233
  O     -1.86705971     -0.88364193     -3.72704730
  H     -2.13292157     -0.96627372      4.74708542
  H     -2.58233078     -1.93878751      0.09576947
  O      0.97435346     -0.79497174     -3.29548135
  H     -1.13242233     -0.99937917      3.58770403
  H     -1.74653694     -3.54642959     -1.73922490
  O     -2.44011135      1.96860556      3.02718664
  H      1.31510604     -2.43375888     -2.83827488
  H     -0.54582040     -3.50741163     -2.69893015
  O     -1.83637396      0.72835391     -1.42379389
  H      1.97953498     -3.78794255     -3.18283489
  H     -1.36100917      0.67259232      2.33365367
  O      0.96918140      0.92075768     -1.08849173
  H     -1.82539402     -1.78493327     -3.36061652
  H     -1.70291777     -0.53981142      1.43711181
  O     -4.26723304     -1.97188624      2.62718544
  H     -2.40485593     -0.93075445     -4.51286315
  H      1.27339619     -2.45640769      0.47363100
  O      0.81746421     -4.52746077      2.70747480
  H      0.05561902     -0.73294712     -3.58386681
  H      1.29496911     -3.44911281     -0.72779950
  O     -1.93402736     -3.74329616      2.95681290
  H      1.08411566     -0.12075284     -2.61094546
  H      0.44333523     -1.93456249      4.60025028
  O     -3.85086388     -0.03308476      4.49904989
  H     -3.01128886      1.37848607      3.53268944
  H      1.23947751     -3.02971692      3.86709621
  O     -3.00496146     -1.09177824      0.29915135
  H     -1.85649344      2.41767354      3.65928236
  H      0.56437280     -0.55021016      1.37980155
  O     -1.49918734     -3.36301698     -2.65427875
  H     -1.95387406      0.28588545     -2.27404094
  H      2.07768462     -0.60887080      1.71228533
  O     -1.01444047     -0.16758006      2.00420576
  H     -0.88055617      0.78664399     -1.28459307
  H      0.21090515      2.82496202      4.19579915
  O      1.09817218     -3.37432749      0.21413088
  H      1.03865578      1.78813327     -0.67107072
  H     -0.31403592      3.73427533      5.32205167
  O      1.34022978     -2.21457456      4.37194110
  H      1.21893192      0.28196523     -0.40494549
  H      3.74568341     -0.26814822      3.68564572
  O      1.43394270     -0.78598894      1.01605238
  H     -4.00400977     -1.60854225      1.76900314
  H      2.34771085     -0.92627892      3.76714988
  O     -0.58910873      3.07781220      4.68866335
  H     -3.71263725     -2.74810081      2.75885376
  H     -0.73899460     -3.45701000      0.13360893
  O      2.86583116     -0.23241500      3.32050659
  H      1.23383512     -5.38427680      2.76449169
  H     -1.92699771     -3.68317227      1.08591340
  O     -1.70355049     -3.52573435      0.15921697
  H      0.98485319     -4.19600637      1.80972797
  H     -2.19112771      2.65854175      1.30432361
  O     -1.81510429      2.92325476      0.45382280
  H     -1.07715917     -4.18755466      2.94302381
  H     -2.04097056      2.23876393     -0.18711434
          69
 Energy    -248.11111445723077     
  O      1.57842238      2.28456258      3.14595920
  H      2.03228369      1.43535594      3.17040502
  H     -1.79901054     -2.97656037      3.53506164
  O      0.92020842      3.22676568      0.50212387
  H      1.44649643      2.52086580      2.21989178
  H     -4.54377166      0.06619036      5.13968939
  O     -1.31647681     -1.43347037      4.44484889
  H      1.15449840      4.13350237      0.32118835
  H     -4.05513101     -0.68692043      3.88117324
  O      1.31948770     -3.36541815     -2.59874958
  H     -0.05352788      3.19096733      0.52833041
  H     -2.70408650     -0.40948982     -0.32236173
  O     -1.91148441     -0.83447400     -3.70903016
  H     -2.09719299     -0.97087597      4.76655474
  H     -2.60274272     -1.90666461      0.11343341
  O      0.93480402     -0.78280917     -3.30434773
  H     -1.10828358     -1.00817934      3.59739498
  H     -1.80404474     -3.51184946     -1.74012293
  O     -2.38538048      1.97895274      3.06912511
  H      1.26015459     -2.42860535     -2.86129196
  H     -0.61219546     -3.48077361     -2.71110441
  O     -1.83928402      0.76153376     -1.39558684
  H      1.90485046     -3.78831828     -3.22122158
  H     -1.32868123      0.67478381      2.35663356
  O      0.97148402      0.91800535     -1.08613239
  H     -1.87717552     -1.73863686     -3.34896615
  H     -1.69373647     -0.52738856      1.45545222
  O     -4.26362886     -1.93654031      2.66069699
  H     -2.45731080     -0.86987190     -4.48990868
  H      1.24986124     -2.47302384      0.45062710
  O      0.79041892     -4.55339186      2.67506091
  H      0.01417267     -0.70782681     -3.58345321
  H      1.24797819     -3.45782819     -0.75747767
  O     -1.94891091     -3.73798159      2.95612133
  H      1.05922901     -0.11456839     -2.61646660
  H      0.46570142     -1.96896612      4.58845376
  O     -3.80606210     -0.01551286      4.54121910
  H     -2.95878373      1.39232145      3.57616682
  H      1.24151348     -3.06864031      3.84041924
  O     -3.01316109     -1.05603208      0.32647604
  H     -1.79034677      2.41666129      3.69854173
  H      0.57257911     -0.56460010      1.37617865
  O     -1.56327886     -3.32525082     -2.65628746
  H     -1.97023311      0.32623706     -2.24756845
  H      2.08819003     -0.64366158      1.69362722
  O     -0.99543560     -0.16725721      2.01833169
  H     -0.88154730      0.80743271     -1.26522745
  H      0.28690981      2.79544614      4.21773209
  O      1.06112125     -3.38701723      0.18678077
  H      1.05542874      1.78165770     -0.66367982
  H     -0.21609527      3.70272587      5.35557337
  O      1.35692324     -2.25817301      4.34963426
  H      1.22003369      0.27167677     -0.40926584
  H      3.77906401     -0.33628716      3.65290092
  O      1.43571425     -0.80834338      1.00248952
  H     -4.00424317     -1.57063145      1.80243510
  H      2.37407294     -0.97806851      3.74363910
  O     -0.50523867      3.05446652      4.72000819
  H     -3.71720160     -2.72021723      2.78190787
  H     -0.77759837     -3.44710438      0.12346893
  O      2.89622726     -0.28750360      3.29658009
  H      1.19692134     -5.41551987      2.72239746
  H     -1.95908095     -3.66537948      1.08567585
  O     -1.74262304     -3.50442424      0.15792502
  H      0.95319507     -4.21795567      1.77794485
  H     -2.14460078      2.67742331      1.34853383
  O     -1.77356083      2.94331225      0.49621339
  H     -1.09762700     -4.19236985      2.93110941
  H     -2.01381687      2.26591984     -0.14702829
          69
 Energy    -248.11086407536928     
  O     18.06420898     10.38395364    -14.72355293
  H     17.36029116     11.03528204    -14.82312163
  H     12.31412618      9.10262903     -8.45826683
  O     15.12775550      6.77279281    -10.98473889
  H     18.24446430     10.32511690    -13.77557831
  H     14.62153066     12.25365006    -11.88557679
  O     12.17347278      9.13591808    -13.07390488
  H     15.24204788      6.31342288    -11.82732354
  H     16.08078696     12.64216975    -11.55774492
  O     13.43899301     10.95645732    -11.28108399
  H     14.17428808      6.88558883    -10.86352430
  H     14.95557667      9.88600756    -11.60826015
  O     19.19862362      7.51334146    -11.19366688
  H     12.94431337      9.37217660    -13.61031352
  H     15.48633484      8.41860918    -11.62780107
  O     12.83695047      6.54424230    -16.76738611
  H     11.65652422      8.53843431    -13.62939597
  H     18.70881661      7.82308358    -16.42517272
  O     15.21502615      5.66977687    -13.55168376
  H     13.24849865     10.84958042    -10.34112448
  H     18.04648095      8.80373861    -15.42890724
  O     14.52954910      9.71288266    -14.47144902
  H     12.80765120     10.43059805    -11.78747088
  H     12.39905328      5.80573778    -12.25698095
  O     15.95035264     10.30320962     -8.71616818
  H     20.00285124      7.03140870    -11.02174087
  H     11.96213577      5.82286340    -13.71941547
  O     13.31165911     10.63241374     -8.48060784
  H     18.75577118      7.06012238    -11.93396974
  H     18.04922712      6.86751249    -14.16189750
  O     17.05836470      7.81923871     -9.26289974
  H     12.96086496      5.73422515    -17.25660432
  H     17.08655357      5.97682291    -13.35352719
  O     11.78947182      8.29227288     -8.54300825
  H     13.72556598      6.83382939    -16.50508154
  H     12.31125849      7.91206360    -11.66224328
  O     15.38125183     12.75491344    -12.21230223
  H     15.21542465      6.24929024    -14.32426906
  H     12.09911413      7.55483493    -10.15391012
  O     15.60757831      9.29767562    -12.00999013
  H     14.29214911      5.40332399    -13.42392447
  H     10.16058895      7.05252348    -15.11761368
  O     18.02029082      7.89116796    -15.76923631
  H     14.85563764     10.57849534    -14.74311527
  H     11.64375544      7.00317492    -15.54829012
  O     12.50269818      5.32962433    -13.09261013
  H     14.99568305      9.50060015    -13.64611382
  H     18.20137092     12.65514692    -10.06019751
  O     17.95893859      6.38851644    -13.32913708
  H     16.47794418     10.94502290     -9.20242936
  H     17.86651134     11.41267930    -10.91724431
  O     12.40960901      7.21256274    -11.00271076
  H     16.36447327      9.43791555     -8.85219105
  H     14.95366206      8.25640468    -15.38420442
  O     11.04997257      7.19012768    -14.80101105
  H     14.27607015     10.48526279     -8.50947615
  H     16.20495354      7.52040716    -15.91830900
  O     17.47762793     12.11558819    -10.36857943
  H     13.16360982     11.38112534     -7.90903213
  H     15.68604170     12.43924202    -13.89122881
  O     15.25430867      7.42592060    -15.78436179
  H     16.37024030      7.32433504     -9.72980803
  H     15.69772313     12.95837141    -15.34827897
  O     15.82776311     12.17649922    -14.81884868
  H     17.85096685      7.70834878     -9.79923237
  H     18.72271790      9.23606958    -11.66381781
  O     18.23749914     10.02156094    -11.94440009
  H     11.81900521      7.86947420     -7.68742969
  H     17.30143005      9.76046714    -11.97677504
          69
 Energy    -248.11065194799704     
  O     -3.04851650      5.34730034      3.75642440
  H     -2.88768706      4.90443360      2.90448042
  H     -2.33439812      2.86703041     -1.68083369
  O      0.68498866      1.62815258     -0.67556224
  H     -2.81536287      6.26424979      3.63816836
  H     -4.94571598      3.07513159      4.72811698
  O     -0.97341192     -0.04206568      3.08644035
  H      1.41485596      1.72507632     -1.28129724
  H     -4.69132598      4.47350084      4.14784704
  O     -4.56327861     -0.41595859      0.63540468
  H     -0.11755377      1.90354055     -1.15639073
  H     -4.23392767      4.53937913     -1.61017654
  O     -2.55632365     -2.69860184     -2.59317860
  H     -0.35692666      0.57418873      3.49849128
  H     -4.48358415      3.29614127     -0.72356411
  O     -0.48632061     -0.69880470      0.42187052
  H     -1.74385036      0.48758941      2.82679701
  H     -6.40583636      3.12307945      3.09709591
  O     -5.06239649     -0.88481074      5.17754974
  H     -4.39034062     -1.30987579      0.96297780
  H     -7.84233600      3.01759643      2.53568438
  O     -6.33001633     -0.08121962      2.89884868
  H     -3.97356681     -0.31179787     -0.12741338
  H     -1.62242613      3.77414671      1.42020642
  O     -1.62462864      3.32032922      5.21902844
  H     -2.17626654     -3.03272741     -1.76195909
  H     -2.92856476      4.04434768      0.57575649
  O     -2.65816499     -0.28339931     -1.30326527
  H     -2.18941098     -3.23857145     -3.28761605
  H     -5.41815408      1.25611387      0.07163559
  O     -3.85883577     -2.93297618      1.59645575
  H     -0.59113794     -0.53002834      1.36827095
  H     -6.09555744      2.42379898      0.81296561
  O     -1.65144556      2.22305346     -1.89619318
  H      0.04209617      0.02638866      0.06591019
  H     -3.46994225     -1.63650321      4.43392152
  O     -5.38678951      3.82359331      4.30225822
  H     -5.56444661     -0.63065122      4.38239335
  H     -2.08608465     -1.40366818      3.75616311
  O     -3.79658905      3.90657527     -1.04691962
  H     -5.67289928     -1.32806297      5.76039312
  H      0.36176738      2.71473915      0.82487002
  O     -6.96294876      2.65909668      2.44724599
  H     -5.85396162     -0.27898904      2.08477213
  H      0.30400894      2.88738598      2.36695851
  O     -2.57514917      3.95936834      1.46821725
  H     -6.61656213      0.83716438      2.81316117
  H     -0.21916965      2.57268284      4.53893108
  O     -5.61857246      2.19556545      0.00398017
  H     -2.02801919      4.09672304      4.81390822
  H      1.27717770      2.20218095      4.66879772
  O     -2.78687046     -2.05413269      3.89543368
  H     -2.34933903      2.69406884      5.35358435
  H     -4.24455745      0.79294281      5.32961999
  O      0.04157660      3.28993206      1.53031485
  H     -1.92942445     -0.43838546     -0.68339059
  H     -3.64982491      1.55509717      4.12928771
  O      0.52084443      2.11964221      4.09459297
  H     -2.69441188     -1.05485549     -1.88711246
  H     -2.31259846     -3.24013388      0.49164411
  O     -3.84433137      1.63181985      5.07742087
  H     -3.44941297     -2.68210039      2.44452732
  H     -1.02003064     -2.50066592      0.10406051
  O     -1.55284667     -3.28032969     -0.10212288
  H     -4.39411729     -3.70455423      1.76259780
  H     -3.70446418      0.86121369      1.77362799
  O     -3.20298765      1.39664748      2.39757382
  H     -2.07788011      1.35624119     -1.82390627
  H     -3.05567324      2.27080608      2.01359571
          69
 Energy    -248.11043654755676     
  O     13.79609231      6.99090386    -14.36562501
  H     14.03004282      6.34166467    -15.03960876
  H     16.51735511      5.57530223    -15.90213285
  O     17.63658464     11.60776583    -12.12749653
  H     14.50560181      7.65201895    -14.33815534
  H     15.10318178     12.40724264    -17.33108863
  O     17.68832282      7.94713420    -17.58863888
  H     17.93552785     11.07108743    -11.38301372
  H     15.71343646     11.22388083    -16.54608464
  O     12.00318749      9.12200117    -14.62281846
  H     16.68173669     11.46102589    -12.18753558
  H     16.20014082      9.27931495    -14.84103499
  O     16.10740325      8.36949429     -9.81776889
  H     17.65226437      7.21571389    -16.94556998
  H     15.53160593      9.52813327    -13.46154024
  O     13.56531515      6.27639834    -11.74602577
  H     18.33661755      7.70348228    -18.24395304
  H     19.26606948      8.96882281    -11.69438654
  O     14.98453495     10.85994686    -12.36401610
  H     12.55487807      8.32939963    -14.55666448
  H     19.49226011      9.31634796    -13.17845919
  O     14.88196242      7.30670344    -18.04139454
  H     11.51006952      9.16723137    -13.79517950
  H     10.38306971      5.64176752    -11.52610800
  O     16.22915840      5.77032598    -11.03162449
  H     16.15089270      7.45848907    -10.13309637
  H     11.78213582      6.27969560    -11.45974920
  O     17.12423381     10.22111634    -16.12100541
  H     15.21882522      8.68290544    -10.02083826
  H     18.55516303     11.21988590    -13.52198017
  O     14.68228024      5.24499663    -16.35036457
  H     14.43197853      5.96849595    -11.45665489
  H     19.81635223     11.51463053    -14.36901197
  O     17.40515104      5.93859878    -15.79583856
  H     13.62756023      6.45852495    -12.69732949
  H     18.32086203      7.37374641    -12.92893465
  O     14.88355830     11.68869430    -16.74346372
  H     14.37583645     11.24859465    -13.01190625
  H     16.87887428      7.57816572    -13.44581571
  O     15.78978109      8.83881566    -14.08776321
  H     14.46985140     10.28192044    -11.78744509
  H     17.59751921      9.26152517    -10.01900397
  O     19.55547785      8.59753223    -12.53866569
  H     14.29151893      8.03908388    -17.80580946
  H     18.81419013      9.88040157     -9.29689347
  O     10.83205922      6.47524960    -11.41168716
  H     15.78261066      7.64551798    -18.02116348
  H     13.74457866     10.20847609    -17.12707384
  O     19.09177052     10.90194748    -14.27249364
  H     16.71401536      5.01730495    -10.70443966
  H     12.69255273      9.31446509    -16.44288231
  O     17.50392053      6.90117049    -13.14614515
  H     16.71968942      6.10928093    -11.80130517
  H     13.58676659      8.04359330    -11.17827507
  O     18.43931259      9.72899801    -10.16050058
  H     17.39617017      9.47769645    -16.67701446
  H     12.61259016      9.22243490    -11.16000456
  O     13.26115505      9.37856497    -17.21870418
  H     17.86219936     10.46141859    -15.54389531
  H     13.81936900     11.76526127    -15.17080771
  O     13.51283900      8.97301973    -10.91997376
  H     14.70807950      5.94967194    -17.02606401
  H     12.82590442     10.80338336    -14.48492738
  O     13.31610369     11.62726622    -14.35918727
  H     14.32631534      4.46913645    -16.77355626
  H     10.08838656      9.60802743    -11.67818710
  O     10.86263870      9.14679814    -11.99092826
  H     17.51058443      6.15119353    -14.85963263
  H     10.73752629      8.20563286    -11.77788725
          69
 Energy    -248.11029461301820     
  O     12.85086702     12.97366347    -14.12545008
  H     12.64270974     12.05749631    -14.34533116
  H     17.66964909     10.98924165    -15.76787782
  O     17.84880382      7.20685976    -13.89730376
  H     13.34856075     13.32163217    -14.87518518
  H     14.94570696      8.15319979    -17.59197591
  O     19.65060201     11.76938136    -12.83931789
  H     17.04830504      7.20237774    -13.35543070
  H     13.42074132      8.14921324    -17.39957646
  O     16.78149473     14.11538861    -14.82119030
  H     17.55213447      7.28950084    -14.80982607
  H     17.18407332     10.36639501    -12.65509217
  O     14.45247804      6.35888546    -14.54098877
  H     19.48457313     10.83344576    -12.65553433
  H     16.41455683     11.73401451    -12.70228977
  O     16.74744651     10.68689037     -9.52536143
  H     19.35100789     12.23349057    -12.04942793
  H     13.38283644     10.54495204    -15.64281587
  O     15.49270059      7.34298544    -12.21866693
  H     17.50080821     13.55308334    -15.13371791
  H     12.43890806      9.39266759    -15.25171120
  O     13.61726596     13.75367565    -11.65680417
  H     16.03471753     13.98860426    -15.41826977
  H     18.32392140      8.87529017    -11.43793846
  O     12.32639006      7.60020774    -15.84088553
  H     14.76168997      5.46371766    -14.66804098
  H     18.53988562      8.56034851    -12.93263924
  O     17.20101220      8.11426354    -10.09649367
  H     14.75718873      6.63160179    -13.65990011
  H     14.86902304     10.08306820    -12.68505092
  O     16.33415370      7.75102990    -16.29654377
  H     15.83715786     10.95776038     -9.71901629
  H     13.48961164      9.81887045    -13.33014119
  O     16.89302895     10.42829273    -15.65752821
  H     17.32397952     11.41139488     -9.78820895
  H     15.42282738     13.68133481    -11.98634084
  O     14.12240137      8.50570806    -17.95640817
  H     14.90820087      8.11531941    -12.27975149
  H     16.49819115     13.83594727    -13.11948412
  O     16.40645673     10.81855059    -13.00723657
  H     16.03788762      7.48292944    -11.43471299
  H     19.74243424     12.54267249    -15.89548019
  O     12.75146759     10.25963986    -14.96745357
  H     13.29391527     13.47472505    -12.53238923
  H     19.22363386     12.14806585    -14.49507324
  O     18.64690290      9.25336890    -12.26410898
  H     13.04751353     14.46039733    -11.36587767
  H     17.63538645     13.22168620    -11.08651659
  O     14.02274882      9.62331610    -12.55106402
  H     13.01088304      7.12771545    -15.34071218
  H     18.63074910     13.62178221     -9.97234978
  O     16.34680554     13.52323741    -12.21379395
  H     11.55577206      7.03727165    -15.85236919
  H     14.36360215     10.24652214    -17.49924630
  O     18.95008438     12.31903420    -15.41449514
  H     17.00264116      9.03018918     -9.82422564
  H     15.42929177     10.87482476    -16.56054826
  O     18.35806857     12.89201574    -10.52300983
  H     17.50989131      7.65793868     -9.31873657
  H     13.93628520     10.65666722    -10.95652200
  O     14.57294580     11.03797424    -16.98414686
  H     16.54691899      8.66788978    -16.06283949
  H     13.90215212     12.15821110    -10.64015812
  O     14.14823138     11.30254307    -10.27024663
  H     15.67714401      7.43034551    -15.66638348
  H     14.14300930     14.22701072    -17.14481342
  O     14.42963922     13.69014429    -16.40999361
  H     16.63555127     10.53666514    -14.72939733
  H     14.45072119     12.77069867    -16.72649221
          69
 Energy    -248.11025013589625     
  O     11.20292369      9.37945773    -12.13507519
  H     10.34755316      9.26500843    -11.73006694
  H     18.04838331      8.47302342    -15.39351036
  O     16.52937802      7.71671779    -15.00189369
  H     11.78235856      8.68897948    -11.76478090
  H     13.23905087     12.59045345    -13.45102318
  O     16.21305544     11.98157164    -14.39495755
  H     16.05271784      7.44225977    -15.79530188
  H     14.50516792     12.81975355    -14.31255579
  O     13.02336094      6.58294245    -15.34653104
  H     15.98428636      8.39206081    -14.56406402
  H     14.03546815      9.43311125    -14.09261750
  O     18.05408130      7.92743039     -9.08754106
  H     16.68281666     11.85990777    -15.22690284
  H     14.93631844      9.77661061    -12.86509912
  O     16.18181108      6.21549191    -12.66535048
  H     15.73499285     11.15154706    -14.23936711
  H     13.01021105      6.67435187    -11.82455272
  O     15.12555569     10.38015641    -11.15225962
  H     13.64232027      6.71325835    -16.07312295
  H     13.68985507      7.56174575    -10.76901475
  O     17.44741112     11.12467976    -16.79455891
  H     12.67417505      7.46274502    -15.14200088
  H     19.08478298      8.44744420    -12.47512130
  O     18.73383113      6.87951631    -11.69011689
  H     18.46581036      8.77069865     -9.34357896
  H     19.24571452      9.31103137    -13.75249185
  O     14.85654227      9.97515676    -17.42893698
  H     18.38147580      7.71707675     -8.21694333
  H     13.34593529      5.72641020    -13.88977268
  O     14.98791471      7.28284626    -17.29179307
  H     15.32550126      5.77986982    -12.75993697
  H     13.14296596      4.44460285    -13.04510261
  O     18.83758694      8.98961734    -15.63733745
  H     16.34239780      6.67691204    -13.49995106
  H     18.09743369     10.71236523    -12.28532503
  O     13.54445984     12.90909768    -14.31433255
  H     15.98832599     10.78758812    -11.31456136
  H     17.16042868     11.83576800    -12.77778660
  O     14.94823694      9.56375663    -13.80770520
  H     15.27908412      9.50389708    -10.77572170
  H     19.60545050      9.87711207    -10.88959374
  O     12.85785772      7.42549177    -11.23816630
  H     18.00750791     11.61919502    -17.38879737
  H     18.63265444     10.90076778    -10.34745714
  O     19.25445024      9.34888911    -12.79224657
  H     17.99265501     10.41315938    -16.42374415
  H     12.01890771     11.91308900    -16.86321978
  O     13.54855459      5.30722510    -13.03355330
  H     18.57701397      7.07904282    -10.75924047
  H     12.94106293     12.00463629    -15.62289331
  O     17.53788962     11.44250345    -11.98055006
  H     17.91677437      6.47908209    -12.01541241
  H     15.79501314      7.25769223    -11.17464258
  O     19.23544023     10.20474590    -10.05921806
  H     15.67794355     10.44182488    -17.23884238
  H     16.33883068      7.78094017     -9.82222915
  O     12.63483255     11.41278160    -16.33525213
  H     14.13296423     10.50975285    -17.07947483
  H     12.16957470     11.02899286    -11.93062245
  O     15.55212856      7.75501915    -10.38058215
  H     14.89356200      8.24867062    -17.38698193
  H     13.60479207     11.37188451    -11.51532621
  O     12.80828102     11.75027780    -11.91304972
  H     15.06724806      6.92561431    -18.17177542
  H     11.81459900      9.33042103    -13.87053823
  O     12.31206151      9.17129728    -14.68378664
  H     19.47215966      8.37210499    -15.99376852
  H     12.26267046      9.95430127    -15.24626120
          69
 Energy    -248.11023272682701     
  O     14.50316657     11.79314991    -12.00969821
  H     13.86645041     11.91190841    -11.29582490
  H     11.66137775      5.56537584    -11.03813217
  O     16.96412874      9.84078146     -6.91420694
  H     15.34925232     11.60026235    -11.58829913
  H     13.11493863      6.28858423    -14.13274251
  O     16.64180978      6.35770561    -10.73597838
  H     16.81379863      8.90395149     -6.73711972
  H     14.48506314      7.02661336    -14.34226944
  O     13.22226124      4.91787709    -10.53605037
  H     16.14952441     10.18017009     -7.30861749
  H     15.83852729      8.67802103    -13.96349793
  O     18.53294732      7.17025101     -8.82272908
  H     16.35853001      5.65783366    -11.33704452
  H     14.75075681      9.39107063    -14.78423354
  O     16.79413963      6.98037497     -6.75008506
  H     15.98829738      6.37461439    -10.02187705
  H     19.67300472     10.45956447     -8.53213779
  O     16.72604220     10.86454214    -10.45590347
  H     13.70228739      5.27979021     -9.78059099
  H     18.25641814     10.01698095     -8.08950380
  O     12.72624085     12.16145907     -9.74153313
  H     13.89961876      4.63538143    -11.16162282
  H     14.18744375      7.07945129     -8.68453867
  O     10.15361455      8.66755920    -11.18446267
  H     18.74132367      8.09874950     -8.97998691
  H     15.38166846      6.48611942     -7.88209514
  O     14.75844838     10.64222702     -8.47581508
  H     18.03536260      6.85639240     -9.59021404
  H     12.43439081      8.99091895    -12.75366335
  O     13.72452368      8.13401856    -11.80489659
  H     17.14144838      6.45719605     -6.03228366
  H     12.23715483     10.00914306    -13.87824734
  O     10.79872632      5.89599500    -11.34210474
  H     17.47735765      6.99225875     -7.44580981
  H     11.36569129      7.61308402    -13.99877684
  O     14.06112709      6.25729003    -13.93278060
  H     17.57302008     10.68837778    -10.02776458
  H     11.07647083      6.33046756    -13.19625908
  O     15.28078339      8.58662170    -14.74954792
  H     16.05940829     10.78072646     -9.75896921
  H     10.54363082      9.65244717     -9.87090551
  O     18.87599793     10.03737715     -8.84196269
  H     12.31365221     13.01651870     -9.64163575
  H     10.19745379     10.14859643     -8.44417363
  O     14.78481272      6.31938863     -8.62140832
  H     12.03954118     11.49932640     -9.56424531
  H     14.92470625      5.07949893    -13.03455188
  O     11.75761212      9.37732964    -13.33173540
  H     10.33557049      7.71935941    -11.17683272
  H     15.63114011      3.70863787    -12.89646501
  O     11.35997704      6.64882032    -14.06256517
  H     10.55160297      9.01275508    -11.99613512
  H     13.81331218     11.76111392    -15.10157372
  O     10.87989876     10.16198465     -9.10962685
  H     14.29302858      9.81351059     -8.66104166
  H     14.02456103     11.32700719    -13.63336362
  O     15.36465679      4.47989266    -12.40390703
  H     14.15143360     11.33831817     -8.75191748
  H     12.33852364      8.93039143     -9.04296992
  O     13.71810234     11.02250126    -14.50612920
  H     13.70788959      7.35405176    -12.37276643
  H     13.30364534      8.33225873    -10.10824959
  O     13.18015507      8.47710737     -9.15568533
  H     14.60716030      8.51050087    -11.92419469
  H     16.59671644      7.91009300    -11.69886466
  O     16.41490219      8.72304562    -12.19085474
  H     10.16725631      5.20645869    -11.15017020
  H     16.61505678      9.47042433    -11.61347390
          69
 Energy    -248.11023187084874     
  O     16.68717726     10.53714856    -11.28412130
  H     16.02272304     10.02003526    -11.76257071
  H     13.23901751      9.44974139     -9.00699038
  O     15.13348301      5.62568770     -6.70786345
  H     17.55691014     10.17182106    -11.49442639
  H     16.74804780      5.85449446    -12.45569474
  O     16.14431180     12.86389823    -10.03055206
  H     15.21763765      5.00635866     -5.98849610
  H     17.66184738      4.83136421    -13.16235315
  O     12.92642132      6.62292933     -8.20436903
  H     15.18890718      6.51832189     -6.32017270
  H     16.06601576      5.92865672     -8.30358838
  O     14.85324137      8.92249874    -12.50190009
  H     16.30681432     12.05879880    -10.55339471
  H     16.35501287      7.25427544     -9.06084249
  O     19.12758798      9.30200415    -11.61653198
  H     15.82230838     13.52626742    -10.63627419
  H     18.13191566      7.28051564    -13.73649297
  O     20.52741291     10.80838356     -9.71574593
  H     13.11249067      7.56380634     -8.09976408
  H     18.70452084      8.65410330    -13.34992844
  O     18.84718133      6.77986271    -10.39453077
  H     13.58917347      6.16137467     -7.67725618
  H     16.51361584     11.98871415     -6.60907744
  O     12.49563492      6.19708906    -10.83895176
  H     15.09578315      8.98112419    -13.43817464
  H     17.31714668     12.50594291     -5.39021853
  O     15.05644592     11.92850520     -7.56802674
  H     15.01188340      8.01272215    -12.21917138
  H     15.94297910      9.31940072    -15.92975781
  O     12.68215544      9.11273299    -10.71018637
  H     19.03092939      8.45432633    -11.15926472
  H     16.78976394      8.76430566    -14.76940370
  O     13.74811340      9.41854117     -8.18235773
  H     19.70270990      9.85012145    -11.06801712
  H     16.52662867      9.56915570     -9.74091341
  O     17.65130426      5.70605375    -12.78082584
  H     21.36227139     11.26876686     -9.72479974
  H     16.87884028      9.20155415     -8.24824526
  O     16.43792119      6.28754639     -9.11639552
  H     19.86746726     11.42872899     -9.35771320
  H     17.85350923     12.71221745     -9.20046542
  O     18.31043212      8.16402655    -14.08256266
  H     18.08602417      6.54946135     -9.84158670
  H     18.33985635     12.36684613     -7.78635665
  O     17.39648428     12.00225534     -6.19555231
  H     18.67817523      6.33002177    -11.23102758
  H     16.11749677      8.56011239     -6.04911178
  O     15.89179582      9.04201932    -15.01973638
  H     12.61681865      6.26800872     -9.87436718
  H     14.62421341      8.74436056     -6.41451781
  O     16.31603359      8.98529123     -9.00406083
  H     11.69718389      5.69547295    -10.97943111
  H     15.60180172      6.20646841    -10.70989617
  O     18.63786333     12.45819404     -8.69972264
  H     15.30851558     12.28289161     -8.43117824
  H     14.25111567      6.13650396    -11.46001314
  O     15.22926623      8.20562320     -5.89503253
  H     14.46661696     11.18577173     -7.73765151
  H     20.16461541      9.25073747     -8.68274620
  O     15.20121892      6.25085457    -11.59133243
  H     12.42503694      8.18782801    -10.79731446
  H     19.65112163      7.81102063     -8.87796160
  O     19.82647664      8.48093708     -8.20783352
  H     13.36987766      9.23092957    -11.37933876
  H     17.77213269     10.19407148     -6.41011176
  O     17.71542735      9.25754738     -6.63677641
  H     14.66082996      9.23857108     -8.46105976
  H     18.54262723      8.97865375     -7.05760168
          69
 Energy    -248.11014171683752     
  O     18.87895889     10.05083853    -12.64687744
  H     18.26506360     10.79195145    -12.69330195
  H     14.17251366      6.52816473    -15.16479614
  O     15.52103796      7.86026426    -17.49964122
  H     18.66546324      9.60858418    -11.81349253
  H     14.40641079      5.98043384    -11.02954328
  O     13.50690381      8.76011605    -12.05966369
  H     16.36396862      8.30799611    -17.35467322
  H     13.48073445      7.23789421    -11.10852895
  O     11.76323085      4.48145524    -11.34696778
  H     14.84208835      8.49149010    -17.23062792
  H     16.17760316      9.14375595    -13.55959879
  O     16.00499209     10.40582519    -14.95364399
  H     14.40790270      8.56687453    -12.36834755
  H     16.63534570      8.69205150    -12.12387020
  O     17.84408531      9.36051584    -16.78306658
  H     13.58215127      9.63927703    -11.66690292
  H     18.46317470      7.33954749    -14.39284398
  O     15.07130771      7.35062254     -8.44192678
  H     11.15258921      4.28665494    -10.64096668
  H     18.99591190      8.74290210    -13.95864425
  O     14.09106184      3.15640479    -12.39238238
  H     12.34992329      5.18671858    -11.02413090
  H     14.88105242     10.80361425    -10.19889205
  O     16.64492748     11.96183762    -12.79093586
  H     16.67351881     10.13787137    -15.59850127
  H     15.18883448     11.44514059    -11.56450943
  O     11.53417544      5.25377522    -14.08264204
  H     15.14330683     10.21494027    -15.34552676
  H     12.92639739      8.05059760    -13.62022670
  O     13.59792900      3.56983387    -15.17427996
  H     18.51282143      9.71005507    -17.36502585
  H     12.24193477      6.86002545    -14.36796589
  O     14.80771096      5.97837842    -15.64350214
  H     18.30999191      8.87149583    -16.07938267
  H     12.87081860     10.06838123    -16.56186763
  O     13.60788734      6.38722630    -10.66421373
  H     14.42346812      7.01971011     -9.07744207
  H     13.24821079      8.90141939    -15.62190051
  O     16.06508153      8.47417230    -12.87339276
  H     15.88425920      6.86779536     -8.63723016
  H     15.89776423     10.36935548     -7.90943643
  O     18.95311144      8.11327420    -14.69350946
  H     13.96706832      3.19430921    -13.34939702
  H     15.44523938      9.05448160     -8.58629593
  O     14.46719052     11.12764036    -11.00934135
  H     13.25104856      3.43659070    -12.00872057
  H     16.35023385      5.93718927    -14.58376155
  O     12.80910209      7.63627283    -14.48597676
  H     16.37548091     11.52443764    -13.61621798
  H     16.67480558      6.97974322    -13.50857220
  O     13.61437393      9.59504043    -16.19759797
  H     16.74325361     12.88922504    -12.99578499
  H     17.64194545      7.84296538    -10.20881108
  O     15.78091966      9.95219055     -8.75905153
  H     12.09569882      4.59571903    -14.51038565
  H     17.06861036      9.25395946     -9.91884477
  O     16.98871166      6.14199133    -13.88838753
  H     11.48841640      4.99314488    -13.15411963
  H     16.89524025      5.63356124    -10.26040850
  O     17.61260039      8.74997980    -10.53764920
  H     13.62015779      2.99200891    -15.93274932
  H     18.04878135      5.48512749     -9.24236568
  O     17.38806173      6.09517644     -9.55990717
  H     14.08958416      4.37207638    -15.41974572
  H     16.35086038      5.32377376    -12.39475148
  O     15.91617980      5.02135603    -11.58591163
  H     15.11161118      6.50971278    -16.39371818
  H     15.35919720      4.26520735    -11.82324516
          69
 Energy    -248.11010088920705     
  O     10.68672258      9.96607872    -11.37406285
  H     10.36028463      9.72023712    -12.24915718
  H     17.20553741      6.44331523    -16.78442012
  O     13.98212808      7.21566658    -14.97268009
  H     11.60841891     10.22803405    -11.50573054
  H     16.73761964      7.96298904    -13.85262696
  O     16.22357772     10.36801671    -11.77932112
  H     13.72041855      6.59816795    -14.27861331
  H     16.35665335      9.31803792    -14.54275732
  O     18.02793730      9.20183574    -17.45466465
  H     14.72174124      7.72844790    -14.60762922
  H     10.24339966      7.56468690     -9.27409716
  O     12.68182251      9.63298448    -14.69255098
  H     16.11679176      9.70517012    -12.48198896
  H     10.68093648      8.48874601    -10.43847104
  O     16.07513379      6.78800163    -10.24063746
  H     16.69081520      9.92465635    -11.05940384
  H     18.86509757      8.66928692    -11.59974222
  O     13.50205249      5.69094250    -12.70503322
  H     17.21687937      9.15421916    -17.97880265
  H     19.15251112      9.55394838    -12.81905990
  O     15.41051453      9.05788356    -18.62031536
  H     18.20279927      8.30150943    -17.15671995
  H     11.59998001      6.03671468    -12.79843841
  O     16.24909222      4.94121545    -12.42667394
  H     11.74204637      9.47915239    -14.53678806
  H     10.68234246      6.71549575    -11.76424889
  O     16.96729980     10.73512428    -15.46756629
  H     13.06662241      8.76101046    -14.86901694
  H     17.63597678     11.18035345    -12.61788062
  O     15.54346219      6.61003248    -17.21053741
  H     16.16748297      6.09468727    -10.90343968
  H     18.76883076     12.21458853    -12.80909206
  O     18.15114002      6.46027234    -16.54482853
  H     15.16708461      7.11377163    -10.31630291
  H     18.14933439      6.54984600    -14.71771697
  O     16.05396681      8.64207302    -13.91882417
  H     14.37740419      5.28863507    -12.65576470
  H     18.56136832      7.25686165    -13.36510349
  O     10.79333384      7.60106413    -10.05133565
  H     13.50246655      6.39941421    -12.04325796
  H     18.10781694      8.89860637     -9.12862146
  O     19.24961720      8.65493859    -12.48639356
  H     15.08669625      9.32936031    -19.47464743
  H     17.20954187      8.05022931    -10.06018614
  O     10.75189919      6.48593738    -12.69990139
  H     14.99115855      9.64330633    -17.96413724
  H     15.24799973     10.87447174    -16.20260778
  O     18.42773112     11.38790050    -13.14163007
  H     16.87209867      5.49319457    -12.92902848
  H     13.76897531     10.44174416    -16.01452933
  O     17.96271250      6.61097170    -13.77127816
  H     16.63330732      4.06874230    -12.38355148
  H     12.63197262      7.60707407    -10.37151101
  O     17.79972696      8.82587311    -10.02753054
  H     17.58452014     11.07912666    -14.81308694
  H     13.50556987      8.56790344    -11.21781366
  O     14.42958868     10.67552114    -16.67783708
  H     17.47216164     10.28255029    -16.16200827
  H     13.27509990     10.08097237    -12.98691335
  O     13.50361711      7.70911765    -10.77319691
  H     14.91332611      6.71535896    -16.48524239
  H     14.33534786     10.48318816    -11.90938995
  O     13.41966504     10.20956218    -12.03816881
  H     15.42570654      7.38363585    -17.77703722
  H      9.27827350      8.72763422    -14.42455069
  O     10.08866168      8.83211280    -13.93319541
  H     18.58771135      5.81965550    -17.10029323
  H     10.31042785      7.95647971    -13.56892001
          69
 Energy    -248.11009606552386     
  O     -5.76961700      3.66689344     -1.80615550
  H     -5.92130731      3.22314095     -0.96325008
  H     -4.33425486     -0.17911596      2.13153858
  O     -1.48346552      3.45504446     -3.72152576
  H     -5.96374356      3.00783771     -2.48356779
  H     -0.68645351      2.10973623      1.76708930
  O     -5.60569900      2.00240910      0.51152270
  H     -1.31023713      3.98642749     -4.49366197
  H      0.45444165      1.71272868      2.73766148
  O     -3.19465973     -1.01100920      0.91466061
  H     -2.10040910      3.96415635     -3.16136644
  H     -1.39910312      3.91371629      0.32619523
  O     -0.25062098     -0.43484340     -1.67866764
  H     -4.75695347      1.87655919      0.05546817
  H     -0.50747018      2.87670232     -0.45909177
  O     -3.25192531      1.30317865     -3.29736995
  H     -5.54481166      1.47012946      1.32022571
  H      2.34970968      1.93386233      1.67414533
  O     -4.49193747     -2.24381454     -1.24082767
  H     -3.54162236     -1.58639735      0.22080051
  H      3.02198822      2.33257089      2.99947285
  O     -2.43069652     -1.36623460     -3.02465934
  H     -2.24918428     -1.17621964      1.02583305
  H     -4.98369243      1.40951325     -3.63098079
  O      0.35657236      2.27579858     -1.92835461
  H     -0.95988179     -0.83225340     -2.20362395
  H     -6.21673465      1.41844127     -4.56800251
  O     -0.43927129     -0.84602987      1.11677983
  H     -0.52196116     -0.47986452     -0.75203855
  H     -1.99338786      1.88094809      3.43363459
  O      2.03452898     -1.20555906     -0.38486167
  H     -2.63485610      1.98296129     -3.59110337
  H     -2.70835927      2.24468405      4.75262225
  O     -4.86869573      0.44826776      2.63865632
  H     -3.23875453      1.32336538     -2.32629977
  H     -6.25691857      0.34285932     -2.17957430
  O     -0.48088712      1.55900232      2.53952873
  H     -5.14549348     -1.52256611     -1.28600946
  H     -6.20224953      0.51315569     -0.65233944
  O     -1.06965161      3.00685430      0.31677376
  H     -4.98336292     -3.06042819     -1.27403923
  H     -3.11871745      0.55533013     -0.03061255
  O      2.20228987      2.01446788      2.63223486
  H     -3.12713934     -1.75224573     -2.47993995
  H     -2.44860720      1.96024950     -0.21770646
  O     -5.95450109      1.47337436     -3.65302037
  H     -2.75053400     -0.49010243     -3.28145107
  H     -2.27347297      6.31432180      0.85968538
  O     -2.85212749      2.12402355      3.81696566
  H     -0.16976097      2.70417676     -2.61486895
  H     -3.05346488      4.99008842      1.05457889
  O     -6.22272038     -0.15086723     -1.35021486
  H      0.12923801      1.33378692     -1.94649882
  H     -2.97316294      5.09430364     -1.28526470
  O     -3.13836495      1.37089024     -0.54903981
  H     -0.41804119     -0.05104384      1.66955338
  H     -4.13105750      4.41874945     -2.05733190
  O     -2.40976215      5.44916453      0.48408655
  H      0.47330457     -1.08664011      0.92742473
  H     -3.67012121      3.40168700      2.66807769
  O     -3.22365376      4.74396971     -2.14701910
  H      1.32977381     -1.03722346     -1.03383791
  H     -4.72693318      3.43023934      1.54747674
  O     -4.07906161      3.97498864      2.00760439
  H      2.53124053     -1.95243760     -0.70919664
  H      1.88311645      1.95960181     -0.75412191
  O      2.46630024      1.60986588     -0.07034590
  H     -4.23542944      0.96280092      3.15337444
  H      2.46064477      0.65059716     -0.18011547
          69
 Energy    -248.11002977018441     
  O     15.94990322      5.53006340    -14.47304065
  H     15.03664560      5.24066010    -14.33018540
  H     18.38557022      8.34833253    -17.87327665
  O     15.58890134     11.94194196    -11.29669129
  H     16.55319969      5.13903816    -13.83304945
  H     15.68373635     11.85369563    -14.64796703
  O     17.26712680     12.08322967    -13.64538795
  H     14.72251923     11.75118657    -11.67671314
  H     15.20253858     10.71965198    -15.56638186
  O     12.15751609      7.69702391    -14.01490027
  H     16.17748366     12.08462102    -12.04711939
  H     15.29579665      8.26407761    -13.06762082
  O     17.46614777      6.72749733    -10.63078995
  H     17.96260294     12.72407729    -13.77116576
  H     16.04651986      7.23570007    -13.96596509
  O     13.24230573      5.11330171    -14.63562180
  H     17.69909792     11.22046687    -13.52862907
  H     14.88484573      7.23602151     -8.87054157
  O     13.34433734     11.03095957    -12.76921756
  H     11.55357571      8.44898409    -14.00062428
  H     15.95906265      7.30628477     -9.98352530
  O     12.34514252     10.83875427    -16.25287312
  H     12.76015726      7.83965997    -13.26971173
  H     18.61295831      5.90505725    -13.53969195
  O     16.20008613      5.58772168    -17.22458997
  H     17.71772975      6.18374614    -11.38602634
  H     18.93340915      4.54206427    -12.88505145
  O     15.69937787      9.09800042    -16.22682739
  H     18.09425753      7.46015098    -10.60027231
  H     18.62247038      9.44854683    -12.30110211
  O     13.50935805      5.51970830    -17.51046128
  H     12.73636841      5.88606487    -14.35451458
  H     17.50130107      9.05567223    -13.31210808
  O     17.95536834      7.85264176    -17.18088605
  H     13.22258826      5.12898037    -15.60084039
  H     18.80185995      7.34399402    -15.51507560
  O     14.89635960     11.49689453    -15.07729596
  H     13.86160445     11.17976393    -13.57457141
  H     19.03637350      8.07217287    -14.18111617
  O     16.02304250      8.16408155    -13.69416870
  H     12.43700049     10.87404834    -13.05599011
  H     18.21918296      9.56022889    -10.13163830
  O     15.16455267      7.74451009     -9.62700766
  H     12.57771823      9.95492481    -16.57033346
  H     19.74485131      9.33153649     -9.98091558
  O     18.27658976      5.23269000    -12.92011576
  H     13.17222953     11.25212401    -15.97637634
  H     12.83315075      7.97356967    -15.70875371
  O     18.31869581      9.57059483    -13.21049929
  H     16.18086394      5.49361704    -16.25978463
  H     13.17902890      7.28539826    -17.05020564
  O     19.12979452      7.21567135    -14.61709500
  H     16.85156812      6.27578588    -17.39434418
  H     16.10519790      9.42416169     -9.45624634
  O     18.99796098      9.13532375    -10.53904784
  H     15.83457790      8.80449036    -15.31122530
  H     16.30774654     10.82552812    -10.09049901
  O     13.13161752      8.14503228    -16.61406037
  H     14.84171572      8.74043370    -16.49545660
  H     11.32104001     10.53006719    -14.86553248
  O     16.73185650     10.15160033     -9.53816936
  H     13.24095831      4.94719548    -18.22362515
  H     10.01273157     10.62249038    -14.04328389
  O     10.89854996     10.27074126    -14.02653259
  H     14.48379395      5.51940999    -17.50042422
  H     14.23482664      8.23871402    -11.11582350
  O     13.88587166      8.42621464    -11.99565526
  H     17.17543673      8.36802718    -16.91318016
  H     13.73510148      9.37795617    -12.08811525
          69
 Energy    -248.11002885933334     
  O     16.02390153      8.54463337    -15.82488467
  H     16.69829535      8.49153525    -15.13421964
  H     16.52439164      9.47085719    -17.20248349
  O     14.35491894     11.75175279    -15.01055689
  H     15.18886490      8.69542083    -15.36623021
  H     16.43366345     12.21219484    -10.86843667
  O     20.21437344     10.76728480    -11.25901165
  H     13.92113388     10.91730314    -14.80002019
  H     15.41716328     12.13308283     -9.70879604
  O     20.05086021     13.13353352    -12.89602437
  H     15.25245943     11.66510039    -14.65700862
  H     19.93517280     11.55747826    -15.62307283
  O     14.85024466      9.37057618    -11.81163507
  H     20.27830200     11.65534389    -11.62733463
  H     21.34798944     12.18540009    -15.41440602
  O     18.03565961      9.74828944     -9.87512965
  H     20.41488803     10.17002759    -11.98966079
  H     17.45505603      8.36324250    -10.68022825
  O     17.85106397      8.72601511    -13.69295730
  H     20.26226268     12.50280215    -13.59768673
  H     17.12676006      6.84926654    -10.74470298
  O     15.00468219     12.20256790    -17.69283198
  H     20.11914496     13.99875687    -13.31471544
  H     15.37535360     13.89193584    -17.65666136
  O     17.98729560     14.54641952    -16.12195301
  H     15.50383065      8.69918173    -11.58144604
  H     15.21008023     15.31182393    -18.24854990
  O     18.30965543     11.78997322    -16.31088261
  H     15.11981552     10.17045137    -11.34464673
  H     19.38816818     15.15738704    -15.23989747
  O     13.68683077      9.13309265    -14.24812219
  H     17.34483527     10.42074389     -9.90031817
  H     19.97676059     16.28757020    -14.36797786
  O     16.84253940     10.03277509    -17.93274073
  H     18.82379294     10.13952413    -10.28015911
  H     17.06832791     14.87914574    -14.46655805
  O     15.90360746     11.59855315    -10.33151781
  H     18.81209507      8.81364802    -13.69424380
  H     15.61907816     14.96050080    -13.97900941
  O     20.75220098     11.48848573    -15.10683822
  H     17.60129683      8.28713414    -12.86920528
  H     21.52859334     14.43236747    -15.46703736
  O     17.05886829      7.66368041    -11.23384558
  H     14.68042230     12.01365828    -16.80040156
  H     22.65090387     14.21653098    -16.49479299
  O     15.57275396     14.83500148    -17.50703273
  H     15.59176607     11.47142537    -17.91377663
  H     21.38518838      8.63504026    -13.79101409
  O     20.14634086     15.40249347    -14.68154104
  H     18.13343637     13.59934207    -16.25684016
  H     20.75173470      9.98084986    -14.21570241
  O     16.53638822     15.03033301    -13.67698261
  H     17.20507950     14.77448514    -16.64109589
  H     17.17437226     10.44876028    -13.77578119
  O     22.12311169     13.76468434    -15.84097978
  H     17.90679330     11.22318867    -16.97864353
  H     17.09977453     11.93182487    -13.26594017
  O     20.63126985      9.20114877    -13.64620249
  H     17.80148789     11.65435004    -15.49445588
  H     14.05947066     13.61464479    -14.92045220
  O     16.92176023     11.35022350    -14.01433908
  H     14.07505694      9.22195508    -13.35873164
  H     14.49138761     14.77032251    -15.83851090
  O     14.13025919     14.57823310    -14.96520259
  H     12.87624388      8.64225176    -14.14473725
  H     17.04432101     13.89331948    -12.47071114
  O     17.42202223     13.16341927    -11.95272808
  H     17.00426015      9.45408870    -18.67246961
  H     18.36902072     13.14809774    -12.13928673
          69
 Energy    -248.10980552373690     
  O     17.70739803      5.19938181     -9.61780813
  H     16.94994841      4.71011054     -9.96582024
  H     16.85815903      8.71019995    -14.96376457
  O     17.44754619     10.11932713    -13.93054618
  H     17.36662166      5.74998210     -8.90269898
  H     12.49020377      5.38953733    -14.36090004
  O     12.11429540      5.01651398    -16.05287146
  H     17.87575512      9.68899831    -13.16833111
  H     13.70238356      5.09838090    -13.43638433
  O     14.73210446     10.36296050    -12.96392717
  H     17.96037876     10.89841622    -14.12795269
  H     15.36415299      6.09256992    -11.07276850
  O     16.65910401      8.77924561     -9.78153571
  H     12.21007823      5.86232829    -16.51010323
  H     15.85403871      7.57411676    -10.90213590
  O     18.54631764      8.88786908    -11.78898816
  H     12.90802419      4.50738681    -16.26233813
  H     18.78153489      5.78835406    -10.85388804
  O     11.28852917      5.59637401    -11.32780609
  H     15.64317743     10.35939522    -13.27982804
  H     20.17569110      5.73006439    -11.52143154
  O     14.72693324      3.83977219    -16.38453518
  H     14.28314017      9.66235869    -13.45152879
  H     12.20219423      7.18644831    -10.69807010
  O     16.46192991      6.89794877     -7.68070519
  H     16.62747863      8.27106016     -8.96361486
  H     13.68489904      7.57249330    -10.89835410
  O     12.75649612      7.62610484    -17.02305440
  H     15.89285307      9.37469565     -9.81491540
  H     13.49997380      6.95379943     -8.83519550
  O     15.30057609      6.33071311    -17.28812025
  H     18.92531264      8.00347981    -11.74947864
  H     13.52960725      5.46398686     -8.48491000
  O     16.49293557      7.87701687    -15.28801392
  H     17.95208597      8.95246802    -11.02665454
  H     13.53306655      7.32800549    -14.03010698
  O     12.88006566      5.60087341    -13.49875973
  H     10.37732087      5.65717065    -11.60222708
  H     14.73269469      8.00862597    -14.75716046
  O     15.34556731      6.97502888    -11.46804314
  H     11.82961174      5.59169466    -12.13844389
  H     13.67347087      9.55521974    -10.15008430
  O     19.30727220      6.11327353    -11.60726622
  H     15.00389850      4.70722365    -16.73184286
  H     14.48599685     10.37702082    -11.16344837
  O     12.88619810      7.79079515    -10.39319743
  H     14.99836536      3.18892109    -17.02652986
  H     12.20957500      4.53356915    -10.17635864
  O     13.86752699      6.32033177     -8.20356313
  H     15.52248175      6.67485215     -7.80752622
  H     12.29656314      3.27216796     -9.28777356
  O     13.79965245      8.11600364    -14.51938085
  H     16.59646976      6.99812731     -6.74213316
  H     16.51214070      6.49328122    -12.74583506
  O     14.38283701     10.20515300    -10.21403316
  H     12.32714523      8.37729238    -17.42367220
  H     17.97105021      5.99635853    -12.88063503
  O     12.79869099      4.02133664     -9.59959814
  H     13.05343484      7.91063016    -16.14166155
  H     14.49538209      4.03854320    -10.39113353
  O     17.13107503      6.05351862    -13.35116511
  H     15.83575588      6.89297663    -16.71110112
  H     15.29095025      3.96543304    -11.73117596
  O     15.35141690      4.21540984    -10.79936185
  H     14.45982658      6.79264855    -17.39235883
  H     15.07721128      3.85652924    -14.54052813
  O     15.23508083      4.07887121    -13.61439495
  H     16.82161907      7.18952723    -14.69004057
  H     15.98397293      4.69481730    -13.60404332
          69
 Energy    -248.10967521693902     
  O     11.32213122      9.73906260    -10.64561103
  H     11.46291107      8.95009622    -11.18007509
  H     13.75017506     11.54246511    -10.38663830
  O     15.09031310     10.19714248    -13.10168710
  H     11.09833143     10.43229096    -11.28146195
  H     10.46980986     12.21678018    -15.76647901
  O     17.55920574     13.02112134    -12.92444539
  H     14.57869618     10.92442526    -12.72068269
  H     11.06347026     10.79570919    -15.88163294
  O     16.49014872      6.68859391    -13.43829110
  H     16.00353432     10.29732887    -12.80924237
  H     15.84458455     13.66395270    -13.61228006
  O     11.14753744     11.55859139    -12.81492263
  H     17.67638439     12.62035873    -13.80837066
  H     15.00479318     13.17675818    -14.81472181
  O     12.54865976     14.69137550    -15.19199679
  H     18.22967748     13.69407729    -12.83747516
  H     17.92880493     10.97326501    -15.46916893
  O     15.03331784     12.13315066    -16.32260281
  H     17.31805532      7.12406104    -13.19662481
  H     16.86319580     12.03035953    -15.84404141
  O     15.97794395      9.51935227     -9.61477359
  H     15.84332319      6.96367986    -12.77723338
  H     18.51650318      8.85006968    -14.69184638
  O     13.68338499     12.33460750    -12.05801073
  H     11.35598736     10.87625750    -13.46943682
  H     17.52547273      8.59562859    -15.83827706
  O     14.37190011      9.53083529    -15.62072231
  H     10.70745466     12.27745823    -13.28434351
  H     17.56545165     11.39591163    -11.95872284
  O     18.78131215      8.27797186    -12.88350163
  H     12.66466031     14.30508117    -16.06980237
  H     17.04680655     10.27606365    -10.95845431
  O     13.68565897     10.87657216     -9.68894308
  H     13.38402172     14.55450454    -14.72880778
  H     11.78016150      8.80671779    -13.97785593
  O     10.85895967     11.58994791    -16.38980544
  H     14.33467016     12.50338454    -16.87530167
  H     12.65103418      9.49697971    -15.05351449
  O     14.98484579     13.75677741    -14.03805408
  H     14.79782130     11.20705442    -16.16923476
  H     16.17297389      7.03113355    -15.12269528
  O     17.68281284     11.90211891    -15.35132196
  H     16.22202938      9.34341248     -8.71040201
  H     16.11005765      6.57251700    -16.59987769
  O     18.21664410      9.19763234    -15.54022508
  H     15.14634013     10.02991901     -9.58443749
  H     12.50322302     13.31673907    -18.49428494
  O     17.54975920     10.44929403    -11.76668620
  H     12.76805007     12.14707527    -12.31215356
  H     12.07623555     12.52755792    -17.23292739
  O     11.78156268      9.52004150    -14.62757830
  H     14.05313213     12.94708246    -12.70614626
  H     12.95411745      7.62339977    -12.15726086
  O     16.05573851      7.34118097    -16.03866019
  H     14.88224714      8.75855451    -15.89178937
  H     11.74108531      6.70899705    -12.42969962
  O     12.74799494     13.13541571    -17.59104065
  H     14.67868395      9.76605932    -14.72881903
  H      9.49765520     14.26198332    -14.39030033
  O     12.04491114      7.61136104    -12.49796409
  H     19.64194340      8.13638366    -12.49758603
  H     11.00885045     14.05815770    -14.65964225
  O     10.17613905     13.59578886    -14.45479773
  H     18.40766028      9.06763487    -12.45676138
  H     14.73340309      8.69767082    -12.22551040
  O     14.66256110      7.92112684    -11.64639133
  H     12.85131567     10.41717310     -9.85964986
  H     15.05743593      8.20899568    -10.81688465
          69
 Energy    -248.10953053294310     
  O     -4.42897229      0.19821941      1.66152478
  H     -5.07013087      0.90466585      1.70050486
  H      0.37982695     -4.44071107      0.46657178
  O     -3.47737377     -1.84691311      6.65961121
  H     -4.25361070     -0.05913887      2.58116489
  H      2.10382640     -0.39854557      3.42766870
  O     -1.05061438     -0.22751471      3.86424237
  H     -3.76580554     -2.76324617      6.58380084
  H      2.19686399     -1.82226631      2.83729808
  O     -3.77525204     -0.58450333      4.21906294
  H     -2.51195489     -1.88204670      6.59751305
  H     -1.69829044     -2.72788166      1.70278223
  O      1.94302420     -2.80027754      5.76749783
  H     -0.33070066      0.38445906      3.67576176
  H     -1.44788409     -1.31703263      1.06052112
  O     -3.97311046     -4.59535790      5.84370666
  H     -1.06201009     -0.86974572      3.13616421
  H     -3.37021041     -4.44335292      1.67623486
  O     -0.77755022     -2.08562165      5.89704577
  H     -3.82758625     -0.90459486      5.13167927
  H     -2.25058086     -4.44273252      2.77168163
  O      1.04769159     -4.68989277      3.78417424
  H     -2.84435551     -0.35336050      4.08724560
  H      1.72940547     -2.51935987      0.69119283
  O     -5.16823849     -3.05960633      3.79796931
  H      2.18634391     -2.20449041      5.03526810
  H      0.50189840     -2.57313234      1.62090045
  O     -2.06004871      0.11654899      0.05245882
  H      2.69713693     -2.84641243      6.34862481
  H     -5.88957778     -4.96753280      1.40252496
  O     -0.40209618     -2.67322309     -1.84349598
  H     -3.11321815     -4.65216770      5.39323157
  H     -5.28528880     -3.85414115      2.29997813
  O     -0.35299348     -4.79285320     -0.04811731
  H     -4.07462147     -5.40114740      6.34327610
  H      1.02613675     -1.90119334     -1.30107211
  O      2.45391552     -1.28168290      3.59457179
  H     -0.80576679     -1.37316336      5.24177876
  H      2.50495407     -1.52074743     -1.55859395
  O     -1.15778194     -1.92821282      1.74856915
  H      0.15028674     -2.32942091      6.00099649
  H      1.03737265      1.08884706      2.05173684
  O     -2.41960365     -4.37682066      1.82179233
  H      1.27611753     -4.21266528      2.97801586
  H      1.54249789      2.09321240      3.11621558
  O      1.39934219     -2.92523613      1.50311022
  H      1.43193133     -4.17597097      4.50620480
  H     -0.28161832      0.65128100      0.22258726
  O     -5.20811060     -4.30239275      1.43666162
  H     -4.87481857     -3.61209596      4.53378006
  H      1.10689522      0.03365052     -0.06546139
  O      1.82355126     -1.51514747     -0.89210531
  H     -4.70321589     -2.21974794      3.89011277
  H     -3.42797093     -1.32468151     -2.88912046
  O      1.20265959      1.20980439      3.00493263
  H     -2.34748194     -0.32121221     -0.76004330
  H     -3.68153603     -1.75520466     -1.42440751
  O      0.66195692      0.74683778      0.40828016
  H     -2.84801969      0.27068765      0.58856741
  H     -1.41055439     -3.55165929      4.96544519
  O     -2.99159363     -1.48284422     -2.05625965
  H     -1.29536377     -2.33864911     -1.97267509
  H     -0.70972291     -4.69698088      4.22773392
  O     -1.58355769     -4.38501077      4.50492979
  H     -0.47452880     -3.48172977     -1.31442269
  H     -4.78676804     -1.30247136      0.51622810
  O     -4.81562856     -2.00515016     -0.14408594
  H     -1.10620026     -4.80588880      0.55836766
  H     -4.99684820     -2.82418559      0.33240089
          69
 Energy    -248.10950218122525     
  O     12.58499786      9.92726999    -16.53409943
  H     12.07021851      9.55570696    -15.80390601
  H     16.77209193      5.21503990    -14.64876840
  O     16.30911660      6.02309417    -13.02208573
  H     12.78394639     10.83318273    -16.29512943
  H     19.67635606      7.62315323    -14.54855049
  O     17.25615385     10.38780708    -11.83272528
  H     15.44933138      6.13915284    -12.59582671
  H     21.04323368      7.59610037    -13.82268877
  O     18.10597909     11.39910692    -16.41978580
  H     16.96060887      6.52289915    -12.50996378
  H     15.10564204     10.68871346    -16.71499472
  O     14.40680829      5.80571206    -16.77077822
  H     16.49070370     10.53973173    -12.40535217
  H     16.25947757     11.60814533    -16.31689097
  O     13.72560772      9.43444933     -9.62662099
  H     16.95760698     10.50990070    -10.92315832
  H     16.13369948      7.44376988    -14.15294470
  O     13.82001414      6.61799424    -11.99556029
  H     18.44658828     11.10584197    -15.55614931
  H     17.12598807      8.10137717    -15.11951118
  O     15.19560848     10.48604364    -13.67100080
  H     18.70792038     12.06801663    -16.73638723
  H     11.70039771      7.77824747    -14.51131807
  O     17.63966583      8.92957216    -17.79967200
  H     14.07974696      5.36656432    -17.55343872
  H     10.32388493      8.46841619    -14.33847655
  O     14.32397016      6.64114885     -9.24765859
  H     14.56053527      6.73074544    -17.01750488
  H     16.76120298      8.56055141     -9.12717020
  O     18.65478547      7.24413068    -15.89205842
  H     13.78012463      8.49574221     -9.40966707
  H     17.41297697      7.51168010    -10.04605653
  O     16.95820941      5.09379726    -15.59099712
  H     13.39245030      9.48076731    -10.53296421
  H     13.25493023      6.05308087    -15.23099595
  O     20.14790549      7.91486442    -13.74732815
  H     13.91204894      6.48884713    -11.04304012
  H     13.05712227      6.20995881    -13.69321868
  O     15.29892888     11.50781310    -16.24935481
  H     13.60060275      7.55244027    -12.12021669
  H     18.50368300     10.61764782    -13.22185157
  O     16.25600913      8.21689824    -14.71852541
  H     15.60167231      9.65855116    -13.97789393
  H     19.53146029      9.71643230    -13.93122742
  O     11.25791173      8.64273338    -14.41946375
  H     15.14832135     11.04364321    -14.45696136
  H     18.91158846      7.69240423    -12.34401365
  O     16.85955377      7.60950397     -9.26043774
  H     16.68211202      8.81339192    -17.78876645
  H     17.80268741      8.62716445    -11.81409444
  O     12.62955916      6.32751858    -14.55149319
  H     17.81363095      9.80038274    -17.41861556
  H     15.29522808     10.14088140     -9.35148629
  O     19.03877106     10.54037253    -14.02208448
  H     14.19147549      6.05262050     -8.50967418
  H     16.22954756     11.04352213     -8.50942887
  O     18.13614013      7.71892075    -11.77065340
  H     15.26055070      6.90952963     -9.22953271
  H     13.78638932      9.79450284    -12.80710538
  O     16.22213097     10.41285902     -9.22425430
  H     18.42650319      7.74698643    -16.68675363
  H     12.36960110      9.18555846    -12.99704173
  O     13.08178734      9.30493532    -12.35806737
  H     18.14188486      6.42142854    -15.88514028
  H     14.00215394      8.94705366    -16.95858376
  O     14.87720467      8.54990318    -17.08477653
  H     16.11304585      5.22479139    -16.03601297
  H     15.29205139      8.45935270    -16.21131830
          69
 Energy    -248.10931889357988     
  O     -0.33839150     -0.57448299      2.67902217
  H     -0.16053623     -1.22219153      1.97440505
  H      6.68487437      0.40718254      0.01500803
  O      3.99141522     -0.90708362     -1.17963028
  H     -1.25491186     -0.68023672      2.92206355
  H      6.47196659      2.94185367      3.48079118
  O      5.50894340     -0.24977653      3.21164303
  H      4.76207169     -0.31777821     -1.12298631
  H      6.42450919      3.24356147      1.96989867
  O      7.39703249     -1.85106613      6.13593499
  H      4.28860192     -1.80361166     -0.97878150
  H      0.77817005      0.87380364      0.05420004
  O      7.65308779     -0.25582561      1.46619792
  H      5.63134154     -1.13619436      3.57442468
  H      0.18316138      0.82345381      1.47450683
  O      1.28801603     -0.39571252     -1.32808579
  H      4.75421787     -0.28201629      2.60882023
  H      6.38902021     -2.59317857      4.89153608
  O      1.80008237     -0.38081406      4.55393861
  H      7.62846170     -0.93147774      5.92189713
  H      4.94261898     -2.98147182      4.41099320
  O      5.09957446      3.17537367      0.59897818
  H      7.93062214     -2.08510396      6.89032889
  H      7.24009911     -2.09980822      1.38644969
  O      4.78368946     -3.46753551     -0.24646518
  H      8.34328028      0.28249240      1.86960650
  H      6.53128584     -3.03854409      2.39116768
  O      2.66585819      2.17727070      4.71869591
  H      6.90138154     -0.20012036      2.07703731
  H      1.13322726     -2.66807060      0.96980559
  O      3.40163065     -0.29394699      1.48055303
  H      2.24479962     -0.56253862     -1.35590845
  H      0.59667584     -1.69218489     -0.09796551
  O      6.02933988      0.75786967     -0.60252062
  H      1.00567950     -0.28852994     -2.23339557
  H      1.94508955      2.24002631      1.53334997
  O      7.01505712      3.22409800      2.73112678
  H      2.24924202     -1.23102357      4.60328607
  H      2.73479989      2.44158834      2.87849337
  O      0.55157881      1.42385963      0.81425871
  H      1.07098323     -0.48506049      3.92860853
  H      5.54738210      1.17592380      4.22369208
  O      5.85321399     -2.85008632      4.12396071
  H      4.27955547      2.94733832      1.06821304
  H      4.58643299      2.17096103      4.89324889
  O      6.78031545     -2.94593670      1.46145789
  H      4.91848097      3.97454020      0.10936955
  H      2.53191096     -3.74915351      4.84028175
  O      0.32640915     -2.24548398      0.64582999
  H      5.54158305     -3.29155740      0.34226908
  H      2.91990741     -3.11498086      3.48475849
  O      2.81595255      2.42967174      1.91648516
  H      5.00722718     -4.24110155     -0.75653807
  H      9.98398594      2.07990596      2.90088908
  O      5.52113612      1.99184824      4.75258570
  H      2.11268494      2.62616406      5.35266577
  H      8.44656025      2.23833597      2.84311419
  O      3.01744120     -3.02665280      4.44850097
  H      2.38577533      1.24390195      4.71528652
  H      3.45816245     -3.29532549      1.07403077
  O      9.16704951      1.59332490      2.96836951
  H      3.68158219     -0.38379775      0.56015239
  H      2.94275533     -1.98578036      1.71136472
  O      2.82540611     -2.95064259      1.71584356
  H      3.10564461      0.61373073      1.61399317
  H      8.47211723      0.97130009      4.68256153
  O      7.97345268      0.75198100      5.47827455
  H      5.75492989      1.61106576     -0.24530604
  H      7.16137218      1.27300676      5.43038344
          69
 Energy    -248.10916980053261     
  O     16.75194522     12.31775968    -15.49966268
  H     16.83752994     13.26748191    -15.49091547
  H     15.20478076      5.10368464    -15.43810512
  O     15.46296271      6.37609473    -14.15478526
  H     15.80804653     12.11977086    -15.36284862
  H     19.25701934      5.44467538    -13.43730800
  O     18.55882960      8.42325150    -11.97574378
  H     15.89098183      6.18300372    -13.31150050
  H     17.95857196      5.07242392    -12.70090834
  O     18.43600087      5.45494702    -17.58750769
  H     16.07015965      6.95905238    -14.63505521
  H     20.32825581      9.91530247    -18.61468460
  O     15.67672175      6.04113873    -18.37806707
  H     19.24232278      7.97381780    -12.48819401
  H     19.00845874     10.05371745    -17.83878369
  O     15.11718066      9.77096890     -9.77275118
  H     18.21066648      9.13340603    -12.53382418
  H     17.98315599      7.88181699    -15.73461426
  O     13.46460955      8.14634054    -13.52196961
  H     18.28123729      4.72440232    -16.97406184
  H     16.58051857      8.39247450    -16.21062613
  O     17.37270531     10.22394006    -13.70793686
  H     17.57223733      5.69497924    -17.94049427
  H     14.28378348     11.28004216    -14.03364683
  O     17.87315537      3.45834668    -15.63537976
  H     15.35600781      5.59249944    -19.15630214
  H     13.76447544     10.86683116    -15.42307200
  O     14.37091918      7.20382051    -10.83293390
  H     15.46064013      5.47199715    -17.61698380
  H     13.12199129      8.75582723    -15.17015234
  O     19.67963355      7.44162483    -16.21246948
  H     14.79609338     10.22967525     -9.00071892
  H     12.15429433      9.08623144    -16.32646739
  O     15.29116020      4.50252137    -16.19174322
  H     16.04926936      9.55113786     -9.60271438
  H     21.30591813      6.94354572    -13.54840348
  O     18.59340211      4.75007796    -13.35352590
  H     14.12481830      7.47470599    -13.75570529
  H     20.16500168      7.18185640    -14.56289307
  O     19.88559542      9.63480073    -17.81827249
  H     13.94358852      8.90253652    -13.15138534
  H     15.97178947      6.45028986    -11.28368262
  O     17.10335931      8.14435674    -15.43649269
  H     17.26934208      9.48312391    -14.32727862
  H     17.35349934      6.97528075    -11.76341282
  O     14.19649072     11.58516232    -14.94777073
  H     17.34148955     11.02444963    -14.24443331
  H     18.13634242      8.43783341     -8.81087972
  O     13.06508580      9.16138547    -16.05167647
  H     18.19399403      2.56295655    -15.56885227
  H     18.11953287      8.85409584    -10.28925741
  O     20.35699567      7.00417213    -13.62510733
  H     18.11762077      3.90235687    -14.80421596
  H     16.65017597     10.10297178    -17.86044324
  O     16.79753016      6.18636652    -11.71541626
  H     14.52819952      8.04816744    -10.39246526
  H     17.17956147     11.31151957    -17.05587654
  O     17.72562586      9.04441403     -9.42287968
  H     13.83725279      7.40752964    -11.60818461
  H     15.76537054     10.29658564    -12.86181206
  O     17.37962904     10.73314855    -17.80161750
  H     19.34565458      6.71541412    -16.76155020
  H     14.92007534     10.26210465    -11.55691297
  O     14.86253685     10.34755062    -12.51551304
  H     19.84398109      8.20753354    -16.78219338
  H     14.57332139      8.82882531    -17.11910699
  O     15.42306033      8.70401236    -17.56048242
  H     16.09987199      4.00392028    -16.01937348
  H     15.44682024      7.80724601    -17.92271677
          69
 Energy    -248.10913195012785     
  O     15.04335247      4.90892423    -13.05915737
  H     15.74093644      4.24104002    -13.04398872
  H     16.33324197     11.02119669    -13.26311650
  O     18.01636428     10.58356706    -12.92492534
  H     14.85874562      5.14230629    -12.13842486
  H     15.17594782      8.30649951    -10.82813985
  O     18.17831373      7.87411161    -10.28505655
  H     18.33936925      9.70065531    -13.14237485
  H     15.52714302      9.01866428     -9.50314096
  O     15.90591831     10.76348867     -9.22840461
  H     18.26214346     10.72799988    -12.00319761
  H     14.88439886      9.52879739    -12.73780783
  O     13.49744538     10.31676931    -15.22865692
  H     18.51917619      7.02758639     -9.97169758
  H     15.26094765      8.06801299    -13.08118566
  O     17.25743698      3.23781390    -12.77791603
  H     17.22486841      7.88933058    -10.11752830
  H     12.51564409      6.55873430    -13.97834035
  O     14.34260027      7.74113797    -16.20903229
  H     16.83463335     10.84568936     -9.47943659
  H     13.59743430      5.47323437    -14.13358516
  O     14.57207948      5.54852231    -10.36635494
  H     15.42142088     11.38228904     -9.78770380
  H     19.58162104      4.93344715     -8.92607649
  O     12.16191556     10.86602599    -11.21891335
  H     14.20905582     10.69497448    -14.69301625
  H     18.23775450      4.78254835     -9.67940057
  O     19.25101148      5.05748825    -12.48719891
  H     13.83059923      9.48996485    -15.59643895
  H     15.73774690      7.33275914    -15.02894385
  O     14.38544054     12.42945731    -11.00687673
  H     17.99489331      3.87423814    -12.75355318
  H     15.87943798      6.27284636    -13.89128857
  O     15.37613568     11.16450057    -13.33103853
  H     17.59068630      2.44517513    -13.18919228
  H     19.44984288     10.80519184     -9.69935962
  O     15.44949747      8.14457496     -9.91186095
  H     14.29318292      7.50704171    -17.13233592
  H     18.57072923      9.60698666    -10.12493939
  O     14.71107793      8.60833792    -12.49967373
  H     13.78653391      7.10389307    -15.72514515
  H     18.44654056      7.81995601    -12.12814717
  O     12.96471790      6.00813687    -14.63208222
  H     14.87453680      6.41968395    -10.07490339
  H     17.83320457      7.55110377    -13.53777962
  O     19.05537612      5.31031127     -9.62564758
  H     13.60502353      5.57283815    -10.35989553
  H     16.89288169      3.50534020    -10.89192803
  O     16.24997648      7.09462108    -14.24619111
  H     12.12239332      9.99990247    -10.81394067
  H     15.97159543      4.38730360    -10.02062766
  O     18.62485289     10.57826707    -10.12114856
  H     11.79333128     10.75077729    -12.10624899
  H     10.49070761     10.56408853    -14.31757067
  O     18.65175590      7.78499287    -13.07377954
  H     19.35285890      5.13460946    -11.53059318
  H     12.01638178     10.29691699    -14.35948674
  O     16.79492666      3.87970644    -10.00817150
  H     19.18436482      5.96103041    -12.82069591
  H     11.82556320      6.57367258    -11.34631433
  O     11.22011253     10.23628012    -13.79969087
  H     13.55804884     11.91807096    -11.04152038
  H     11.05387735      5.37542356    -10.76798739
  O     11.84909199      5.89097557    -10.65735544
  H     14.14326531     13.33122797    -10.81173622
  H     11.61296314      8.55581945    -13.05652050
  O     12.07387737      7.82271332    -12.63283091
  H     15.10943880     11.72124868    -12.58979870
  H     13.00491640      8.09067630    -12.57059862
          69
 Energy    -248.10906068628216     
  O     11.91934900      9.41342801    -15.89214096
  H     12.57442428      8.80972355    -16.27395431
  H     16.60318038      5.99883759    -14.28526381
  O     16.23224243      7.01391480    -12.83005444
  H     12.30119801     10.29350495    -15.96744302
  H     16.22069479     12.08734935    -18.08082839
  O     15.91188163     11.05758567    -11.47298621
  H     16.83984266      7.61747371    -12.38351823
  H     16.33750448     11.45714603    -16.67066348
  O     17.13524487     11.10962729    -15.19214454
  H     15.44381837      6.93252452    -12.27723273
  H     14.91560154      8.56774916    -15.33620368
  O     13.95923373      5.13972535    -15.79157036
  H     15.24888004     11.12862853    -12.17490422
  H     15.70347001      8.28242504    -14.02478724
  O     14.22372043     10.04193730     -9.55250330
  H     15.42555204     10.78795565    -10.68138990
  H     11.20436814      8.65761654    -14.51016095
  O     13.93241308      6.95651010    -11.29018783
  H     17.21961113     11.72604020    -14.45033712
  H      9.90777491      8.13551898    -13.84747321
  O     13.96878914     10.96885597    -13.45034950
  H     16.58356686     10.35946640    -14.92043104
  H     18.60133562      7.26673500     -9.16022832
  O     18.27513855      7.42646849    -16.44653792
  H     13.55830163      4.33818837    -16.11631203
  H     17.87963860      8.18291536    -10.16005015
  O     15.10565153      7.41232168     -8.77076740
  H     13.47885826      5.38472873    -14.97974806
  H     11.96735364      6.64853671    -13.67273389
  O     18.94002743      9.15941331    -14.25948573
  H     13.48393821      9.84812086    -10.14258878
  H     13.07136440      6.11656393    -12.74256633
  O     16.69777575      5.63448975    -15.17758438
  H     14.49928187      9.19358578     -9.18548406
  H     16.96638617     12.24958398    -12.31507380
  O     15.76675529     11.52457278    -17.45824544
  H     13.46442571      7.79197417    -11.43479742
  H     18.21980038     13.11214058    -12.53545360
  O     15.39380088      8.98542122    -14.60910656
  H     14.27644925      6.98463532    -10.38924369
  H     18.32050338      9.08718929    -12.57083630
  O     10.85239466      8.19047822    -13.73068809
  H     13.69453195     11.49725433    -14.20564597
  H     17.20740810      9.74508110    -11.67691028
  O     17.76185291      7.68431344     -9.33509327
  H     14.41373227     10.19396222    -13.83311616
  H     16.95894767      8.35528643    -17.49533022
  O     12.62452212      5.94785815    -13.58153967
  H     18.95424380      6.95415999    -16.92230387
  H     16.13318524      9.61274639    -17.88631001
  O     17.47219156     12.73089810    -12.98943785
  H     17.71456452      6.75038375    -16.02467512
  H     11.81502305      8.94395298    -12.30711216
  O     17.83442641      9.01150433    -11.73617710
  H     16.06248773      7.48388594     -8.93101881
  H     12.95619243      9.97270854    -12.30769858
  O     16.21008079      8.66238219    -18.02338208
  H     14.99908761      7.03725067     -7.90046567
  H     12.95441627     12.74244208    -16.40250752
  O     12.50551991      9.32335483    -11.74898006
  H     18.53648350      9.95725713    -14.62388355
  H     14.14588676     11.78405394    -16.59263578
  O     13.34464620     11.93757805    -16.06877838
  H     18.79951836      8.49095841    -14.94129879
  H     13.98566879      6.84186999    -16.52610714
  O     13.98059626      7.78647025    -16.72187406
  H     15.81132680      5.36343810    -15.44179894
  H     14.71961668      7.98678005    -17.31555892
          69
 Energy    -248.10897257091585     
  O     17.08607268     10.79245995    -11.53909462
  H     16.48346795     10.36971958    -12.16350752
  H     12.62465012      9.40963107    -10.10380267
  O     14.66545593      6.64199649     -6.56484146
  H     17.91110601     10.28389640    -11.54879686
  H     18.25182130      4.37291897    -12.47570255
  O     17.12606832     13.24613850    -10.35688338
  H     14.93360708      7.52013585     -6.23885609
  H     17.12226401      5.21391441    -11.83025975
  O     12.59080320      6.91685408     -8.50557443
  H     14.65914124      6.05887602     -5.81082633
  H     16.21844853      7.77902930     -9.00673330
  O     19.29298499      9.15743941    -11.45752756
  H     16.97291671     13.93765789    -10.99589212
  H     15.81794999      6.64260181     -8.03204593
  O     21.13166373     10.54220517     -9.87806674
  H     17.07255624     12.40276229    -10.83762233
  H     18.45888295      8.28043493    -12.92314779
  O     18.85403231      6.83490246     -9.94990717
  H     12.42776540      7.86275200     -8.60574783
  H     17.87661690      6.86877384    -13.11431131
  O     12.84667615      5.97809926    -11.03896069
  H     13.25296361      6.81995068     -7.81068325
  H     17.49416639     12.71420379     -6.82200709
  O     16.03705208     12.99311609     -7.71276890
  H     20.01022401      9.64056063    -11.02898743
  H     18.44475312     12.97157158     -5.62549743
  O     13.34755901      8.73623939    -11.53955910
  H     19.11393227      8.38240479    -10.90492785
  H     15.27524410      9.46295947    -14.19089279
  O     14.29856111     10.78917867     -7.80599424
  H     20.59369681     11.29196603     -9.56580420
  H     16.30438224      8.64943305    -13.37614393
  O     12.19037333      9.66031494     -9.26791233
  H     22.02490435     10.86247327     -9.96838625
  H     17.01724044      9.68720965     -8.44209345
  O     18.03416482      5.25082250    -12.17597245
  H     18.01798152      6.80065494     -9.46200207
  H     16.63143970      9.99379878     -9.93978348
  O     16.30999560      6.82869539     -8.83925182
  H     18.75446174      6.21462851    -10.68205878
  H     19.28097701     12.57746412     -8.08497208
  O     17.81096724      7.77755895    -13.43362181
  H     12.74890802      6.23375688    -10.10339628
  H     18.79762126     12.87565566     -9.51275089
  O     18.36576578     12.49168605     -6.44492217
  H     12.07268527      5.46923174    -11.26427184
  H     16.39487585      9.26915214     -6.08392239
  O     15.54295105      9.25197791    -13.29968939
  H     16.28696946     13.12252741     -8.63590151
  H     14.95641754      9.75703184     -6.34758010
  O     16.35277926      9.54635153     -9.13430135
  H     15.33646168     12.32709212     -7.70369781
  H     14.65027230      5.44859791    -11.18003371
  O     19.55776544     12.56088351     -9.00981141
  H     14.11052346      8.88650816    -12.10792581
  H     15.81530415      5.82273043    -10.25487528
  O     15.47128960      9.11345608     -5.84321966
  H     13.21738727      7.77995127    -11.50049932
  H     19.86019478      7.81997182     -8.64755712
  O     15.59828241      5.33086154    -11.06058990
  H     14.99561255     10.34201556     -8.31298006
  H     20.60654009      9.17029975     -8.63110220
  O     20.17689923      8.51995631     -8.06227200
  H     13.47134815     10.51473958     -8.21779911
  H     18.22379088     10.65679134     -6.69238400
  O     18.00088342      9.74823940     -6.92816131
  H     11.32064782      9.97738875     -9.49706107
  H     18.80943864      9.29895504     -7.21462883
          69
 Energy    -248.10896665749311     
  O     15.80338480      5.78933674     -9.13073490
  H     14.87795638      5.52119044     -9.18020812
  H     13.15018145      8.65345202    -13.27541190
  O     13.27846966      7.96122119    -16.26334316
  H     16.24324937      5.43088869     -9.91280613
  H     16.95380179      9.10094401    -14.00717122
  O     17.30775797      7.98585633    -15.38041238
  H     12.55522996      7.88659396    -16.88109095
  H     16.40163018     10.48748619    -13.58958992
  O     10.68874445      7.36856834    -12.03237482
  H     12.89437492      8.24916539    -15.41758639
  H     14.38590763      8.62841898    -11.32319716
  O     18.74451295      4.17861697    -13.59051929
  H     16.65585751      7.27348752    -15.41387714
  H     15.28997866      8.84008512    -12.57627361
  O     12.23388400      4.91197654    -11.89277622
  H     18.09996502      7.63134192    -14.95092799
  H     12.76181680      4.90727437    -10.21772846
  O     18.00815534      7.96308574    -11.41066799
  H     11.11592688      7.53743697    -11.17220221
  H     12.68530626      4.33055622     -8.78569960
  O     13.87152673     11.82076653    -10.57891764
  H      9.74864490      7.37399038    -11.87244190
  H     19.10122484      7.33125943    -12.91588829
  O     17.21217135      4.14737894    -15.85716807
  H     19.33187469      3.42723860    -13.59149891
  H     19.26272801      6.02739639    -13.72279160
  O     15.50152262     11.74009234    -14.70340749
  H     18.20836801      4.11782347    -14.39968329
  H     15.52741924      5.41939420    -12.41619457
  O     13.10813548     11.47167495    -13.19601202
  H     11.66193437      5.66843640    -12.06701642
  H     14.60283858      6.64090135    -12.60294534
  O     12.34816003      8.75467754    -13.81328139
  H     13.07615949      5.09929587    -12.33227741
  H     16.22974920      9.19790225    -16.32357608
  O     16.73819602      9.65433459    -13.24077453
  H     17.69331186      8.15116785    -10.51798496
  H     14.70587109      9.20512768    -16.55624901
  O     14.52644335      8.35421279    -12.23831682
  H     17.62254310      8.64395234    -11.97996397
  H     14.54869976      6.62103495    -15.86598323
  O     13.06278688      5.03866848     -9.30137078
  H     13.57049154     11.72030766    -11.49764055
  H     15.01795758      5.87479830    -14.58797326
  O     19.32626020      6.98779977    -13.78947306
  H     13.53499866     12.66277890    -10.28413310
  H     12.69337600      8.28519044     -9.55769279
  O     14.71931747      5.71202150    -12.85681703
  H     16.46797585      4.76828555    -15.81372878
  H     12.31708099      6.79861848     -9.40225792
  O     15.48783143      9.76995439    -16.56463061
  H     17.38683879      4.01471343    -16.78590635
  H     17.43893319      6.20556807    -11.55149119
  O     15.24751663      6.05926557    -15.51227703
  H     15.47128798     11.09690489    -15.43426979
  H     17.70220576      4.80900019    -12.17768161
  O     11.96381758      7.65880860     -9.65932849
  H     15.85804614     12.54846987    -15.06206629
  H     17.20500936      8.39365975     -8.02793730
  O     17.12749537      5.28823062    -11.56921930
  H     12.70931322     10.63934249    -13.47379201
  H     16.40141523      7.38632754     -8.88713790
  O     16.76127556      8.29322482     -8.86599464
  H     13.88319114     11.60472221    -13.75713597
  H     14.15658558     10.21828963     -9.88465626
  O     14.22387838      9.27917821     -9.65215395
  H     11.64923362      8.32262211    -13.30669122
  H     15.10712352      9.09738328     -9.31153295
          69
 Energy    -248.10893691814078     
  O     -3.81323279     -0.32004869      2.90612887
  H     -4.08461467      0.15811264      2.10670478
  H     -6.15854073     -2.28056030      1.03822975
  O      0.20622961      2.93904366      3.03121032
  H     -3.51973871      0.34634471      3.53947901
  H     -1.70466166      1.64605283     -0.13317839
  O     -1.71481277     -1.70435801      1.82535737
  H     -0.65173850      3.32674800      2.81717654
  H     -2.47944255      2.67659099     -1.02301264
  O     -3.92567642      0.32068018     -3.13568109
  H      0.08122838      2.44882428      3.85356915
  H     -7.15000664      2.20285813      1.83723833
  O     -1.84379541     -1.32548901     -2.14849231
  H     -2.13683906     -2.30645183      1.19612138
  H     -7.15545319      2.53643240      0.30935889
  O     -4.55524454      1.10819410      0.67236948
  H     -2.43687363     -1.26021444      2.29387485
  H      2.30029585      1.43993449      1.18559094
  O     -7.53563972      1.13442179      3.30164272
  H     -3.20890391     -0.27691022     -2.88672037
  H      0.99990059      1.85782301      1.91111916
  O     -7.66882677      1.80881146     -1.24325950
  H     -4.68402292      0.05460366     -2.59980607
  H     -4.71559378      2.27663395      4.68540645
  O     -2.92992963      1.79484819      4.46327487
  H     -1.39461577     -0.79122249     -1.47313199
  H     -5.48438542      3.39478308      3.96920067
  O     -3.01891984      2.85661295     -2.69296054
  H     -1.15851918     -1.77755084     -2.63587761
  H     -3.32812896      4.05466582      2.39142557
  O     -5.90240007     -0.33309929     -1.24572499
  H     -5.26273335      1.73724122      0.86211981
  H     -2.37146536      3.24986132      1.47480012
  O     -5.99679617     -2.72782900      0.18811670
  H     -3.78821977      1.60354516      0.35617605
  H     -5.48391662      5.48137169      2.38168104
  O     -2.27103501      2.42892889     -0.10986785
  H     -8.33127435      1.14852066      3.82792387
  H     -5.74469672      4.03019738      1.92062482
  O     -6.75722672      2.77125341      1.16024455
  H     -6.85049257      1.59286863      3.82131640
  H     -6.86079337     -0.60746067      2.74341216
  O      1.40591321      1.16212028      1.36303834
  H     -7.13828164      0.99986187     -1.32291374
  H     -5.43870568     -1.16799590      2.80546046
  O     -5.60662673      2.61299715      4.52055270
  H     -7.80128004      2.12255982     -2.13456345
  H      0.13620729      0.96253793      6.02138751
  O     -2.47541827      3.60488393      2.37088419
  H     -2.74523496      2.40894126      3.73704378
  H     -0.06220033      0.40490980      4.59152996
  O     -5.15569487      4.58850726      2.45611467
  H     -2.07842567      1.55392950      4.84750109
  H      0.88136585     -0.19747985      2.66645087
  O     -6.34000337     -1.38893693      2.52938266
  H     -2.88747474      3.30912103     -3.52113911
  H     -0.27414319     -1.19902369      2.87497706
  O     -0.31330667      1.12584048      5.19693570
  H     -3.37317454      1.97860612     -2.91707145
  H     -2.85777878     -2.49033810     -0.92155750
  O      0.41787345     -0.70856441      3.34020093
  H     -6.04104433     -1.21886948     -0.89068377
  H     -4.08846842     -2.91070234     -0.07701323
  O     -3.12990123     -2.99250075     -0.14468744
  H     -5.36603213      0.13327032     -0.58479155
  H     -1.10166245     -0.51206735      0.62232094
  O     -0.74529376      0.09456345     -0.04476590
  H     -6.51011373     -3.53133503      0.20105136
  H      0.07385554      0.45520242      0.31793257
          69
 Energy    -248.10889465684141     
  O     19.23942789      7.57834700    -11.14194559
  H     18.50308170      8.09442859    -10.78889359
  H     17.09788140     13.03031916    -14.93313738
  O     17.09212791     11.16698915    -12.15749483
  H     18.84607160      6.77297032    -11.50059560
  H     12.07493240      9.03926456    -15.48806181
  O     11.38622311     10.03811921    -14.23161762
  H     17.11388437     10.46507107    -11.49267300
  H     11.96656719      8.07370675    -16.69337018
  O     15.59568868      6.93895641    -12.12315021
  H     17.75488431     10.94086790    -12.82622421
  H     15.50319472     10.56080489    -12.63165170
  O     13.33889297      7.64061397    -10.58558815
  H     11.35813041      9.76487095    -13.30634296
  H     14.11585055     10.41448741    -11.96255828
  O     17.93342619      5.47083311    -12.59663249
  H     11.84849701     10.88377439    -14.25808019
  H     14.74518816     11.00250536    -17.09485470
  O     13.37332010     12.15758343    -14.35178030
  H     15.31359278      7.23783541    -12.99924390
  H     13.46227266     10.20227239    -16.75757457
  O     17.19298453      8.76353211    -15.72585656
  H     16.33372072      6.33126287    -12.25650986
  H     14.58027001      9.73225844     -7.90293727
  O     16.83347066      8.91808063    -10.53622845
  H     13.76793952      8.11597804     -9.86447455
  H     14.16407029     10.17057537     -9.32701707
  O     16.58828821     10.90625332    -17.45563905
  H     14.05505877      7.26933558    -11.11758918
  H     20.21937100      8.26667629    -12.41256427
  O     18.96445988      6.82281707    -14.70722840
  H     18.28040907      5.89202245    -13.40400763
  H     21.60982140      8.58084846    -13.01674651
  O     17.62891795     12.57114754    -15.59486744
  H     18.13791817      4.54191416    -12.65989273
  H     16.31827489     12.73173513    -12.90408462
  O     12.59098062      8.55822000    -16.16046438
  H     13.50905225     11.93045376    -15.28428928
  H     15.11911499     13.05443863    -13.83808837
  O     14.59531802     10.26169051    -12.78449964
  H     13.79794715     11.45475004    -13.83409319
  H     14.25281206     13.80616033    -12.00130240
  O     13.82624935     11.09337231    -16.81427542
  H     16.35190316      8.51187955    -15.31936832
  H     13.09770205     13.16897203    -12.75398089
  O     14.67324260      9.51009741     -8.82572404
  H     16.99073762      9.39997783    -16.42283603
  H     19.55533910      9.90952756    -13.85971091
  O     20.67658640      8.58904553    -13.21023712
  H     16.39546262      8.27749579    -11.11618984
  H     18.25221107      9.83407742    -14.69649028
  O     15.92149329     13.42520213    -13.45090568
  H     16.20373292      9.12440170     -9.83525830
  H     10.50583753      8.93417688    -11.13891139
  O     13.36176227     13.46774791    -11.87210379
  H     16.93331666     11.12339510    -18.31782266
  H     12.01263086      8.59284137    -11.22312346
  O     18.81112408     10.43321056    -14.17967957
  H     16.94319675     11.57052747    -16.83682961
  H     12.38916517     10.63404906    -10.76173051
  O     11.33751100      9.24235631    -11.49070554
  H     19.65324049      7.38436609    -14.33066477
  H     13.18394661     11.99009186    -10.85487555
  O     13.18210997     11.10178418    -10.46893334
  H     18.37080585      7.41329659    -15.18989314
  H     14.66312640      8.90214815    -13.89635101
  O     14.78909350      8.14016161    -14.48463910
  H     18.20794456     11.97055751    -15.10649044
  H     14.04516116      8.13812746    -15.09859604
          69
 Energy    -248.10886286593467     
  O     -5.60470537      1.54949836     -1.97798265
  H     -4.70141774      1.89113723     -1.88202897
  H     -0.53239351      2.25304143      3.86934804
  O     -2.03556490     -0.04924639     -4.68024844
  H     -6.15730893      2.10630345     -1.41745817
  H     -2.90009365      2.15295672     -0.62076231
  O     -6.84612873      3.10595879      0.03060410
  H     -1.92648277     -0.04856455     -5.62741226
  H     -2.32197273      2.02343803     -2.04049739
  O     -2.78714006     -0.61595936      3.63391117
  H     -2.99341828     -0.00477298     -4.50836047
  H      0.16727993      0.47217536      2.32196289
  O     -3.16310025     -0.92755066      0.86675994
  H     -6.12598619      3.68555177      0.33728560
  H      0.73760324      1.53812769      1.34856328
  O     -2.00354713     -2.25013116     -2.82565021
  H     -7.64261647      3.63013925      0.04058749
  H      0.88043508      3.44147115      0.40469430
  O     -5.55167039     -0.85874816     -0.54840645
  H     -3.52901829     -0.02986651      3.82783277
  H      2.01350536      3.76694895      1.40197821
  O     -0.82057096     -0.89354807     -0.63805792
  H     -2.92921861     -0.93216738      2.73181828
  H     -4.93453044     -3.47364824     -2.86381690
  O     -0.75912700      1.20682983     -2.52763218
  H     -4.00253583     -1.00624734      0.39681675
  H     -3.72396120     -2.54250119     -2.62311364
  O     -0.32532093      0.36866603      4.09788224
  H     -2.98882437      0.02354663      0.94296185
  H     -3.86701767      2.70091759      3.46183231
  O     -4.91603588      1.24006179      3.95561263
  H     -1.47603110     -1.92380222     -2.08563480
  H     -2.45808114      3.39576360      3.34504509
  O     -0.69314485      3.15998190      3.57757263
  H     -1.90475302     -1.59601409     -3.52842088
  H     -6.10602934      0.12864197      1.00068941
  O     -3.05400996      2.41035538     -1.54439202
  H     -5.58456245     -0.03439627     -1.05594995
  H     -6.51973376      1.60789521      1.13339646
  O      0.26947561      0.69426621      1.38657555
  H     -5.36877312     -1.55740150     -1.18914453
  H     -2.70386277      2.25565148      1.70986504
  O      1.16137124      3.34386369      1.33213024
  H     -0.24804716     -0.46534604      0.01186180
  H     -1.46108623      1.46944117      1.15815029
  O     -4.69590214     -2.59214256     -2.58970996
  H     -1.65755759     -1.04099900     -0.17279557
  H     -2.62908544      4.07917813     -0.98273362
  O     -3.35889598      3.37244262      2.98742078
  H     -1.07944388      0.83613555     -3.36030844
  H     -1.94800218      4.55815854      0.30983009
  O     -6.24645724      0.83469299      1.64266893
  H     -0.74797111      0.48024296     -1.88815599
  H     -4.81297381     -0.98467427     -3.65413288
  O     -2.37738424      1.71463708      0.98066732
  H     -1.21300171     -0.01644476      3.98035092
  H     -5.11116991      0.51658319     -3.47815559
  O     -2.28124836      4.86850488     -0.53470960
  H      0.08373991     -0.09750137      4.82158180
  H     -4.08857141      4.95467685      0.36148377
  O     -4.68140107     -0.12037785     -4.06323904
  H     -5.41309054      1.07109550      3.13402488
  H     -4.34904765      4.27506914      1.71897765
  O     -4.79000520      4.62516593      0.93178334
  H     -5.54781550      1.20742521      4.66926119
  H     -0.51084070      4.13016376     -1.24378820
  O      0.24165045      3.53052829     -1.20611948
  H     -0.05485494      3.32930729      2.87503836
  H      0.00055948      2.75386388     -1.72841200
          69
 Ord_Energy   -248.108566    
 O   -4.56896400      -2.69048762       1.12511241    
 H   -5.10374451      -3.46072936      0.952068090    
 H   -3.64318991      -2.95628762      0.982077658    
 O   -1.19531643      -1.26257920      -1.07286847    
 H   -1.34770906     -0.655665636     -0.331787020    
 H  -0.305720896      -1.09009457      -1.40194976    
 O   0.526337087      0.270301372       4.82688761    
 H    1.04907215     -0.537765741       4.90248585    
 H    1.13524628      0.953546226       4.52472210    
 O   -1.66540265       3.05691242       1.83766317    
 H   -2.11102605       2.86735177       2.67868781    
 H   -2.28526115       3.53758764       1.27857995    
 O    7.21014012E-03  -2.40695429       2.56663060    
 H   0.480313092      -1.80339086       1.97255611    
 H  -0.687495232      -1.88311660       2.98793507    
 O    1.90402865      -2.25119209       4.58165121    
 H    1.25801587      -2.45837235       3.88583350    
 H    1.97360158      -3.02778935       5.13071060    
 O    1.40410912     -0.458700508      -1.77488983    
 H    2.01545143     -0.540269136      -2.50071287    
 H    1.13732660      0.478603601      -1.72693157    
 O   -1.96654761      -3.29347205      0.674470127    
 H   -1.69580472      -2.71835732      -5.54422997E-02
 H   -1.27496397      -3.20260048       1.33938849    
 O   -1.78914213     -0.491205961       3.64395881    
 H   -1.82436132     -0.170409232       2.72862053    
 H  -0.980374932     -0.165054932       4.07183218    
 O   -5.34590149       2.30002952       1.06816840    
 H   -5.51550627       2.08761811       1.99311900    
 H   -5.21461248       1.44684052      0.628381193    
 O   -2.05731177      0.391044170       1.03291690    
 H   -1.92882586       1.33222830       1.20295668    
 H   -2.97497749      0.268308431      0.751894772    
 O   -3.61238503       4.05940056       5.19272611E-02
 H   -3.99762702       4.93104744       7.47026503E-02
 H   -4.28056526       3.44668460      0.413534939    
 O    1.42630923     -0.547627151       1.03545201    
 H    1.14534378      0.365518183       1.19046426    
 H    1.53967512     -0.640076220       8.21232423E-02
 O    3.45535803     -0.464593709       2.97858357    
 H    3.13437343      -1.13520002       3.59389758    
 H    2.88837171     -0.551151514       2.19873834    
 O   -2.16452360       2.81923461      -1.99653816    
 H   -2.22886801       3.37384367      -2.77236795    
 H   -2.68305469       3.25781107      -1.30502510    
 O   -3.24276042      0.147208676      -2.36725044    
 H   -2.88961935       1.04285765      -2.30901814    
 H   -2.52013254     -0.434582889      -2.09142780    
 O   0.903645813       2.19267821       1.41537333    
 H    4.62714806E-02   2.58038259       1.64401519    
 H    1.48002899       2.28563905       2.18343687    
 O    2.53598261       1.99467540       3.69613886    
 H    2.98421907       1.16102087       3.46575546    
 H    3.17711115       2.54114866       4.14228058    
 O   -4.61794376     -0.112053201      -1.47558404E-02
 H   -4.69867802      -1.02888882      0.272715926    
 H   -4.26948881      -9.49995890E-02 -0.919184685    
 O   -4.52965879      -1.11245835       3.50965858    
 H   -3.58293200      -1.01732588       3.67964196    
 H   -4.60664177      -1.69641709       2.74598765    
 O   -5.61378002       1.36923063       3.72996998    
 H   -5.29552889      0.452067196       3.64606309    
 H   -6.33506966       1.35244834       4.35304356    
 O   0.547714114       2.06187820      -1.37604535    
 H   0.723934233       2.24010730     -0.442004621    
 H  -0.362982124       2.32701802      -1.54777157    
 O   -2.92311597       2.18829870       4.09817123    
 H   -3.87559891       2.03958535       4.03980684    
 H   -2.53717232       1.31081271       4.19217920    
          69
 Energy    -248.10846803918261     
  O     12.60086908     11.32541019    -15.04132931
  H     12.84201709     10.45615208    -15.38031122
  H     15.73566904     12.07831891    -16.25226574
  O     15.64278666      6.66220771    -13.00491220
  H     12.02341051     11.16058543    -14.28608485
  H     16.51286956      9.41994423    -14.60695130
  O     17.89839093     10.83816955    -11.52681013
  H     16.37305216      6.33638884    -12.46745703
  H     15.84746121      8.36636609    -13.65553775
  O     17.95890321      9.82157539    -15.64066085
  H     14.91774064      6.91419415    -12.41543961
  H     11.23104062      9.56179078    -13.10767234
  O     14.52145729      9.78156316     -8.70643767
  H     17.06951696     11.20664822    -11.85959122
  H     10.14076716     10.54929679    -12.62261974
  O     13.56795404      7.60976020    -11.46413914
  H     17.70604978     10.48459369    -10.65048416
  H     17.11745438      7.94594319     -9.20671789
  O     15.43317465     11.54756283    -12.66103635
  H     18.07115629      8.91998100    -15.97154906
  H     17.29985157      6.65188943    -10.04297217
  O     14.18990509      6.92234556     -8.82622594
  H     18.60406065      9.95531434    -14.93367426
  H     12.35731600      7.68097150    -12.92815503
  O     18.07122260      7.08431033    -16.23251228
  H     14.05287326     10.10132129     -9.48996421
  H     12.35942272      8.09792437    -14.42332352
  O     15.48476383      6.38248110    -15.76009216
  H     14.28654754      8.85006028     -8.61761192
  H     19.01240941     10.28205982    -12.69829898
  O     19.20078200      7.17164288    -13.59111166
  H     13.66223464      7.27293320    -10.56441177
  H     20.44600235     10.42873456    -13.26209402
  O     16.12370255     11.51937496    -16.93545473
  H     13.56613075      8.57513303    -11.39429237
  H     18.46198894      6.33322045    -12.28132521
  O     15.74145112      9.24012771    -14.05376291
  H     15.51651460     10.69944176    -13.12886737
  H     18.30359137      4.97127255    -11.56773173
  O     11.07381685     10.47460265    -12.80229479
  H     15.24656670     12.20438353    -13.34184078
  H     17.60991824     10.20740021     -8.18253939
  O     16.85175856      7.02010382     -9.27211646
  H     13.97326711      6.27739253     -8.15916708
  H     16.25833164      9.88630426     -8.85828999
  O     11.79567861      8.00708150    -13.64365805
  H     15.15543508      6.88222076     -8.95761875
  H     15.03402511     10.40170050    -17.75199006
  O     19.62121348      9.96905845    -13.39247945
  H     17.14328730      6.81208677    -16.12107788
  H     14.16058794     10.01780780    -18.96148756
  O     17.95306378      5.85785493    -11.60032596
  H     18.40265582      6.61747044    -16.99505461
  H     14.07482601     10.89404909    -11.66156492
  O     17.22433684      9.82811035     -8.96851778
  H     15.49212803      6.30515566    -14.79404035
  H     12.55757840     10.54207546    -11.65395787
  O     14.41473153      9.73114331    -18.08894079
  H     14.76549110      6.99001198    -15.95887154
  H     13.90836325     12.46420203    -15.00182680
  O     13.38932919     10.40422815    -11.18531319
  H     18.86574842      7.06863059    -14.48974841
  H     14.41998240     13.92089881    -15.11566348
  O     14.70110136     13.02804443    -14.93422980
  H     19.40977662      8.10782352    -13.48145003
  H     13.82280534      8.97564612    -16.62497694
  O     13.60522717      8.66868244    -15.73052780
  H     16.84442408     11.02727933    -16.52006869
  H     14.34373306      8.91403637    -15.15153634
          69
 Energy    -248.10845157911459     
  O     12.35050651      8.57459620    -16.26757630
  H     13.12035837      8.01095996    -16.43468466
  H     16.53022637      5.10493048    -14.73141370
  O     16.89960915      7.27329099    -12.42730145
  H     12.64474699      9.47440196    -16.44051873
  H     19.15888462      9.13234078    -12.80802885
  O     15.22834285     11.78235246    -11.60745736
  H     17.55147064      7.87773585    -12.05986487
  H     19.76569217      9.23447067    -11.39450824
  O     17.69279025     10.76116384    -15.43108182
  H     16.08285884      7.35085973    -11.91245621
  H     16.41067267     11.35767541    -18.56455933
  O     14.74856836      4.64307866    -15.11488677
  H     14.53280445     11.62242922    -10.95300254
  H     16.34043780      9.99601924    -17.83753451
  O     13.25913562     10.77512445     -9.93008345
  H     14.85276021     11.51342528    -12.45770384
  H     16.28206278      8.23261816    -13.84543269
  O     14.41498894      7.47518823    -11.19460614
  H     17.60072703     11.35226916    -14.66760438
  H     16.60488604      9.34532621    -14.89306191
  O     14.12680137     10.73989793    -13.94664673
  H     17.16640892     11.08461343    -16.16696725
  H     11.59666466      7.92939571    -14.84282184
  O     18.80234645      6.89750215    -16.36102592
  H     14.22068109      4.99256525    -14.37359087
  H     10.32680822      7.33468855    -14.18805202
  O     14.90254168      8.69039758     -8.72071291
  H     14.42478596      3.76466245    -15.29330117
  H     16.29130374     10.63574552    -10.62573886
  O     19.47146478      8.91473631    -14.48012550
  H     12.82090557     10.28103671    -10.63667300
  H     17.57316324      9.77900946    -10.63979895
  O     17.39371788      5.48671660    -14.53310174
  H     13.68530010     10.10972322     -9.37767714
  H     13.68656260      6.19740478    -12.38816048
  O     18.94178128      9.30033547    -11.87232659
  H     14.53741325      7.72678327    -10.27089832
  H     12.55192852      6.29986135    -13.43275029
  O     16.07052860     10.93181258    -17.78168485
  H     13.79434075      8.11963118    -11.56460217
  H     18.18917841     11.25040876    -12.49905078
  O     15.90989620      8.76142476    -14.56188510
  H     13.83528439     11.04615876    -14.81146986
  H     16.87511301     12.04866522    -12.45047356
  O     11.24087284      7.54737490    -14.02039835
  H     14.73852661     10.00642853    -14.11657812
  H     17.54266868      7.91779643    -17.40527848
  O     16.81362012     10.01372708    -10.09874636
  H     19.42364139      6.30945570    -16.78308785
  H     16.01647316      7.82414081    -17.54136246
  O     13.28606792      5.74535051    -13.14098514
  H     18.28890890      6.35506995    -15.73527952
  H     13.01163498      9.83578002    -12.84716679
  O     17.68871247     11.92965020    -12.95962921
  H     15.13038159      8.55584182     -7.80525359
  H     11.95750425      8.70823436    -12.75625691
  O     16.78666701      8.32580195    -17.84389330
  H     15.65504582      9.15196131     -9.13510565
  H     13.08555177     11.92827533    -17.11250823
  O     12.53287575      9.27036966    -12.22388757
  H     19.35932357      8.16689779    -15.07802562
  H     14.39603468     11.11236046    -17.08262138
  O     13.52415422     11.20664568    -16.66748034
  H     18.99735978      9.64627839    -14.90275785
  H     14.70181343      6.22122652    -16.11134391
  O     14.70622961      7.12604300    -16.44450118
  H     17.28064521      5.99779678    -13.72044433
  H     15.12309360      7.67282343    -15.75872676
          69
 Energy    -248.10824122562377     
  O     -0.16723269      8.58134784      5.48846976
  H     -0.19561954      8.95065939      6.36731714
  H      0.45026664      4.67389569     -1.72063670
  O      0.26182350      9.82294494      2.99893073
  H      0.69876184      8.14513411      5.39718267
  H      1.48876153      8.17975036     -3.29565346
  O     -2.08008258      6.88618877      4.19969292
  H     -0.01091658      9.56924677      3.88799183
  H      0.52169940      6.99794176     -3.45978711
  O      3.09312634      4.72869632     -0.06483538
  H     -0.52425725      9.99647639      2.45830377
  H     -1.34284271      9.81694373      0.37865527
  O      4.23976136      8.57574743      3.43133110
  H     -1.53044320      7.50534258      4.69529712
  H     -2.37529232      9.24451792      1.37975186
  O      3.30144670      8.53053705     -2.71877705
  H     -1.52995930      6.09982490      4.08421720
  H      3.51361215      5.34840736     -1.81634516
  O      3.26986032      7.08238669      1.35298977
  H      3.21308244      4.11550765      0.66867013
  H      3.50628934      6.63744464     -2.68512358
  O     -0.06033942      5.03614583      3.58977276
  H      2.14822073      4.71175268     -0.28333060
  H      2.81374892      4.09362587      3.78468411
  O      0.89548019      5.08301925     -3.48372784
  H      5.19144949      8.56769043      3.49853386
  H      2.86205146      4.01860576      5.32244650
  O      0.39750085      3.08586579      1.59942395
  H      4.00876117      8.01528553      2.67034568
  H     -0.06976026      8.76453928     -1.87868951
  O     -1.17641441      6.72932542      0.06804255
  H      3.07635309      8.88976582     -1.84417495
  H      0.71294582      9.21588197     -0.62776045
  O      0.37806460      4.62139896     -0.75966541
  H      3.86357264      9.17504216     -3.14172941
  H      2.41727475      6.47121534      4.95209354
  O      0.55177857      7.95717060     -3.36744814
  H      2.35148246      7.09739550      1.67053280
  H      2.95854468      7.87845068      4.63950537
  O     -1.79398493      9.99674041      1.21435166
  H      3.35881206      6.27679776      0.83068980
  H      1.85773041     10.53550317      2.47162237
  O      3.43445542      5.67498734     -2.72193532
  H      0.20318102      5.82545285      3.08904750
  H      3.33381804     10.15660039      2.65163549
  O      2.56891089      4.56482515      4.59561829
  H      0.71284561      4.79906084      4.11315190
  H      0.04145471      7.06972080      1.35977925
  O     -0.18027128      9.07089354     -0.96594648
  H      1.83838155      5.24600406     -3.29889841
  H      0.53930366      8.12110112      2.40240941
  O      2.27808278      7.40669579      5.13630673
  H      0.85599376      4.56280302     -4.28177885
  H      2.05879218      2.97005255      2.02172907
  O      2.74706210     10.71780397      2.13255332
  H      0.27083457      3.49795561      0.73438288
  H      3.36527245      2.15806092      2.20454342
  O      0.67164485      7.22109497      2.07585482
  H      0.04822887      3.70491127      2.25499496
  H      2.63444809      9.97606372      0.48706730
  O      3.00381774      3.03932516      2.25708878
  H     -1.96438655      6.92486209      0.59081092
  H      2.82924544      8.47698768      0.23797526
  O      2.55806022      9.29638834     -0.19770918
  H     -0.90022919      7.54843496     -0.37122130
  H     -2.83860510      7.33212731      2.68975131
  O     -3.19842536      7.55581988      1.81314688
  H     -0.22397337      5.33007986     -0.48897681
  H     -4.14189829      7.42773920      1.86307004
          69
 Ord_Energy   -248.107910    
 O   -1.62721169       7.79755688       1.53598690    
 H  -0.746347308       8.13100529       1.73767805    
 H   -2.05032063       8.48800755       1.00735772    
 O   -6.71553946       5.40119410       4.52520990    
 H   -6.22728062       4.58014441       4.38819504    
 H   -7.32949781       5.46915436       3.78347015    
 O    1.69961274       7.49707365       3.65747237    
 H    2.53752995       7.71519327       4.05876207    
 H    1.49955261       8.20808315       3.02213478    
 O   -5.21845341       3.02385974       3.84991169    
 H   -5.05157709       2.26131487       4.39849043    
 H   -4.36118078       3.29585171       3.48283601    
 O   -5.94084978       7.28132915       1.55816352    
 H   -6.79390907       6.83525419       1.63128304    
 H   -5.61791039       7.39407921       2.46374869    
 O   -1.87130582       10.5881805       3.80068302    
 H   -1.47125363       9.83714008       4.26180029    
 H   -2.82677770       10.4980936       3.89015317    
 O   -2.98117518       3.99605107       2.57014537    
 H   -3.52683449       4.39415455       1.87335622    
 H   -2.12511206       3.80441523       2.16855669    
 O   -1.93708444       5.78284359     -0.358226210    
 H   -1.79142916       6.46337414      0.318628341    
 H   -1.46280754       5.00325251      -4.78347316E-02
 O   -4.86932325       9.84698296       1.06703746    
 H   -5.32749939       8.99655628       1.06802034    
 H   -4.82751036       10.1180668       1.99193120    
 O   -8.16005516       5.59283400       2.03476596    
 H   -9.07006073       5.50203228       1.76650190    
 H   -7.69628811       4.78936768       1.73779500    
 O   0.912492812       9.19331360       1.70330691    
 H   0.434484869       10.0245056       1.59080362    
 H    1.14755023       8.85042095      0.830187201    
 O    1.42695808       7.77749872     -0.630214095    
 H    2.10552597       7.81548834      -1.29875171    
 H   0.574870467       7.87783003      -1.09113419    
 O   -1.00966907       8.03546333      -1.78140521    
 H   -1.41455150       7.19398975      -1.53220963    
 H   -1.54707730       8.72564220      -1.36777091    
 O   -4.70067024       10.2528601       3.91190743    
 H   -4.87449360       9.31583691       4.10635662    
 H   -5.28496838       10.7593222       4.47071075    
 O   -4.48403120       5.14251804      0.534543395    
 H   -4.93170166       5.95179510      0.819822371    
 H   -3.69760871       5.39814472       3.60008404E-02
 O   -5.07260752       7.57040787       4.22045612    
 H   -4.18286753       7.19381762       4.15235710    
 H   -5.67264080       6.85601330       4.47856283    
 O  -0.764130592       11.4195833       1.52080035    
 H  -0.617465436       12.3603268       1.55627477    
 H   -1.18030000       11.1643105       2.36726737    
 O  -0.770161629       8.29100704       4.94698334    
 H   -1.40048599       7.59254122       4.72514439    
 H    8.74075517E-02   7.96604395       4.65208530    
 O   -2.58919597       6.50943565       3.76309609    
 H   -2.28341866       6.99609756       2.98126650    
 H   -2.67411900       5.58797216       3.49385309    
 O   -6.58932972       3.47885847       1.35754383    
 H   -5.87009811       3.93958974      0.901989400    
 H   -6.20812798       3.15843439       2.18418479    
 O    1.23471153       5.73845768       1.43776631    
 H    1.42277145       6.22124910       2.25161910    
 H    1.33678865       6.36673355      0.712867022    
 O   -2.43994498       9.85179996     -0.152223617    
 H   -3.34976435       9.92616844      0.177179322    
 H   -1.90841818       10.5095911      0.313139647    
 O  -0.569139123       3.75164723       1.11630368    
 H  -0.100754917       2.97449112      0.822896838    
 H   0.104269661       4.43431902       1.28881133    
          69
 Energy    -248.10787254209765     
  O     18.70663428      9.59970701    -15.14625720
  H     17.88297048      9.50891830    -15.64182553
  H     20.13659161      8.64423363    -15.52333099
  O     21.33864140      7.56042623    -12.87323679
  H     18.45562014      9.60657935    -14.21667968
  H     19.24437990      4.13808570    -14.93035729
  O     16.14684492      8.52576460    -10.33668302
  H     20.99118339      6.67877532    -12.67238575
  H     18.39353507      3.17596857    -14.06138636
  O     14.10532628     10.27103714    -11.34872454
  H     21.28256767      7.67474515    -13.82833461
  H     16.20001846      9.45805331    -13.30857646
  O     16.15843243      9.19094301    -16.37376894
  H     15.42572052      9.15545993    -10.44663203
  H     15.48725750      9.44902689    -14.67729790
  O     12.13448067      8.14654010    -11.40670088
  H     15.75870928      7.64199045    -10.42819956
  H     18.53568918      6.06829358    -12.85881511
  O     19.01482638      4.83990589     -9.65171237
  H     13.95453496     11.21135388    -11.28394590
  H     17.87094542      7.45947371    -13.03162114
  O     14.92770974      6.09235918    -10.75925569
  H     14.43430198     10.10419472    -12.24693821
  H     14.41946997      7.83328267    -13.45892078
  O     20.03634572      5.20507290    -12.24026232
  H     16.25291968      8.23358254    -16.53057428
  H     14.40759961      6.30863835    -13.73815423
  O     16.69186484      3.93757038    -11.03733097
  H     15.84054500      9.57250008    -17.18755842
  H     19.28429764      8.11143680     -9.92697996
  O     16.62395451      2.75196432    -13.45790312
  H     12.56947129      7.67572998    -12.13127020
  H     17.79710769      7.91010803     -9.56874880
  O     20.89037466      8.04295902    -15.65926323
  H     12.65889561      8.94598347    -11.28310852
  H     18.62027261      6.16176834    -14.97244631
  O     19.29496307      3.48043243    -14.22466579
  H     19.36457225      4.50199590     -8.83163408
  H     19.80397691      6.49704629    -15.88942718
  O     15.32784242      9.47782824    -13.72472219
  H     18.88767611      5.79748439     -9.52939387
  H     20.89353212      9.90157182    -10.82972397
  O     17.84434885      6.54784464    -13.33639677
  H     14.16047531      6.06787722    -10.16821014
  H     20.71604501      8.66226158    -11.74506651
  O     13.96348224      7.01075804    -13.24141049
  H     14.59722191      6.34563035    -11.63197247
  H     16.39493602      5.70115962    -13.97058540
  O     18.67735064      7.53299615     -9.45017932
  H     19.77975298      4.93460736    -11.35129833
  H     15.84525893      4.28156686    -14.19692356
  O     19.06731063      5.88351847    -15.78655940
  H     19.87719351      4.47332623    -12.85632408
  H     17.43516888      6.28913389    -16.63883568
  O     20.25302234      9.26471224    -11.13295529
  H     16.05960353      4.65858725    -10.91220161
  H     16.05080612      6.00920498    -16.04857079
  O     15.67057206      5.20961718    -14.39125310
  H     17.46926121      4.17024578    -10.51796583
  H     12.30063505      7.01057505    -10.02121610
  O     16.50543715      6.54273051    -16.71390372
  H     16.65468058      3.13222674    -12.55985805
  H     11.78622284      5.93073200     -9.05263720
  O     12.58241417      6.35579215     -9.35976290
  H     16.30387201      1.85875610    -13.36751177
  H     17.22279847      8.98939935    -11.66041246
  O     17.80416908      9.23859399    -12.39680974
  H     21.48261104      8.47542138    -16.26876380
  H     18.68108713      9.36388447    -12.00815946
          69
 Energy    -248.10780488878638     
  O     10.10343280     13.42678384    -12.77918224
  H      9.35511144     13.94777753    -13.06320939
  H     13.01885579     12.85163513    -14.27415867
  O     14.31442592      8.69770718    -17.32007659
  H     10.51772973     13.07984959    -13.58527711
  H     16.21011725     10.27922371    -11.08835386
  O     10.98711356      9.31794879    -12.18236366
  H     14.72895381      9.56198796    -17.43936906
  H     14.66362727     10.30053550    -11.05578828
  O     14.39191460      8.84126150    -14.57090945
  H     13.38350221      8.82676979    -17.53990397
  H     14.40926055      7.95334844    -12.93297752
  O     12.28385321     11.87164981     -9.40063719
  H     11.26050247      8.59569582    -11.60342505
  H     14.93203257      8.29635490    -11.52204816
  O     15.36482291     11.37391977    -17.24341468
  H     10.44754033      9.93721490    -11.66951507
  H     13.40587276     14.92490662    -11.67046671
  O     11.71694426      9.59341290    -14.75756029
  H     14.42930801      8.59671227    -15.50750708
  H     14.16209337     16.11095282    -12.31889393
  O     13.15710302      9.31603693     -8.75989560
  H     14.94456164      9.62771566    -14.47506403
  H     12.95751295      7.35829141    -11.11584258
  O     13.24224385     11.02068973    -11.83730235
  H     12.43763191     11.03446606     -8.93902646
  H     11.94891975      6.42772213    -10.39559788
  O     16.32088828     13.59328820    -11.18049123
  H     12.61328532     11.70291525    -10.29947175
  H     17.05636415     12.18695233    -11.83979391
  O      9.80105362     11.35520765    -10.80259288
  H     15.64745802     11.33512237    -16.31537354
  H     18.33918911     11.33535435    -12.00854514
  O     13.86547817     12.88604049    -13.81082418
  H     16.09389574     11.74633375    -17.73409649
  H     11.44987638     11.40318038    -14.82188053
  O     15.44635246      9.93240700    -10.61062282
  H     12.64968082      9.34625431    -14.67871906
  H     11.72672441     12.47320069    -15.88686637
  O     14.41046283      7.65164057    -12.01454146
  H     11.30388740      9.38835169    -13.90672794
  H     14.19537186     12.35953754     -8.92042072
  O     14.15867088     15.16081990    -12.24228890
  H     14.04559843      9.36220819     -9.12762420
  H     15.36064356     11.47419847     -9.36036775
  O     12.14036602      7.34240309    -10.58387434
  H     12.71902233      8.61406402     -9.25771242
  H     15.20425918     11.86895784    -14.29493743
  O     17.39672972     11.32791567    -12.15372916
  H     13.41214926     11.65916652    -12.53962479
  H     16.51568720     11.21108742    -13.79288698
  O     11.41467575     12.35837149    -14.97657282
  H     12.51594115     10.43815955    -12.09161718
  H     13.51862967     11.95954889    -17.40881912
  O     15.15454154     12.34679678     -9.00348006
  H     15.94222079     13.28664241    -10.34250818
  H     12.18144624     11.23913437    -17.64072627
  O     15.89152032     11.22424442    -14.52776225
  H     15.67506592     14.19990807    -11.55603886
  H     12.04154931     13.63147194    -10.17404312
  O     12.56510728     12.10317019    -17.44117312
  H     10.48391464     11.57368789    -10.15687923
  H     11.32746810     14.06155406    -11.47734614
  O     12.00705739     14.32475486    -10.84324698
  H      9.80476697     12.07068415    -11.45084863
  H     10.76028214      8.97883589    -17.82048768
  O     11.54250401      9.42226655    -17.50246678
  H     13.95210169     13.73920149    -13.36719005
  H     11.48997377      9.42105336    -16.53149779
          69
 Energy    -248.10758909559326     
  O     15.65827714      8.01899381    -10.69301915
  H     15.53009976      7.66608484    -11.59460319
  H     17.26607325      2.91827918    -18.66954831
  O     16.87326776      7.96968920    -15.38366599
  H     16.14847099      7.34172518    -10.21756076
  H     16.53569120      4.78088750    -16.95274910
  O     15.23707093      3.02935545    -12.81564289
  H     16.36687774      8.64650299    -15.84944744
  H     15.34152775      5.45616810    -16.22425196
  O     14.79342409      1.16507624    -14.85968983
  H     16.75601997      7.13188389    -15.85209375
  H     13.96722207      4.26958427    -13.19794436
  O     15.24575707      9.98778855    -16.42922910
  H     15.03575676      2.29956345    -13.41433567
  H     12.85935838      5.14316708    -12.56598531
  O     14.84875557     10.74963082    -13.87829431
  H     16.02541179      3.46817379    -13.16783048
  H     15.71816687      7.35826906    -13.95964103
  O     18.45289024      8.48200238    -13.17803287
  H     14.46446179      1.72819370    -15.58368637
  H     14.63254076      6.40596890    -13.36020247
  O     14.82661229      4.17137389    -10.28508648
  H     14.33437364      0.33258795    -14.92920623
  H     19.71515501      5.82994988    -12.23039280
  O     17.46417777      1.93297606    -15.59873843
  H     15.33231107     10.73045386    -17.01963183
  H     18.64867482      6.91095148    -12.51253002
  O     16.72518022     10.28971390    -11.75872570
  H     15.12997626     10.35077009    -15.53098729
  H     12.60269791      8.81963184    -12.51310023
  O     14.08570375      2.79549331    -16.91296959
  H     15.49022357     10.62603896    -13.16952491
  H     11.63690134      9.72060985    -13.30704525
  O     16.76253478      3.19211121    -17.90833921
  H     14.04841107     10.27375751    -13.61898936
  H     12.60569431      7.15837451    -10.81816697
  O     16.30788824      5.44724541    -16.29409562
  H     17.97046286      9.17234764    -12.70986938
  H     13.78395790      8.13942785    -10.70333038
  O     13.34187564      4.98464910    -13.38485591
  H     17.98230693      8.34927043    -14.01503793
  H     13.33492793      6.36559605    -16.16254555
  O     15.33233737      7.03002769    -13.14085717
  H     15.00595138      3.65419942    -11.08289761
  H     13.35326175      5.20481418    -15.14619324
  O     18.77917872      6.00686426    -12.17265012
  H     15.61861394      4.69576391    -10.12231467
  H     13.79042801      8.75032392    -16.23845240
  O     12.47785546      9.27283790    -13.36398151
  H     16.64141182      1.51981693    -15.30767703
  H     12.87270133      8.42518804    -15.04931232
  O     12.84839651      8.08489728    -10.93826898
  H     17.62101347      2.66376490    -14.98509373
  H     11.73179309      4.81200381    -10.25636309
  O     13.54529025      5.42470053    -16.06995607
  H     16.91329897     10.95505031    -11.10157604
  H     13.25790151      4.90825886    -10.48957940
  O     13.12595206      8.12326321    -15.93055567
  H     16.33843805      9.53129614    -11.28784038
  H     17.74096579      5.82179950    -10.68906506
  O     12.39895529      5.29964142    -10.73172971
  H     14.90078141      2.91438269    -17.41542620
  H     17.77869040      5.57765031     -9.16467200
  O     17.19000950      5.76627183     -9.89187105
  H     13.75834726      3.68467744    -16.71993087
  H     17.04155353      4.76173335    -14.73687251
  O     17.41614393      4.26392661    -13.99608306
  H     17.09682873      2.68278241    -17.14814681
  H     17.84882761      4.89276781    -13.40894142
          69
 Energy    -248.10748902745405     
  O     14.07317558     13.65094801    -12.86338468
  H     14.66950204     12.95891199    -13.18956193
  H     12.48492388     11.62834434    -14.41883243
  O     14.60266745     10.15801055    -17.55912499
  H     13.40289861     13.76082769    -13.54619646
  H     15.39487285     13.16716248    -16.35496419
  O     15.44311073      8.52500083    -11.76716051
  H     14.50611380      9.86232663    -18.46108438
  H     14.58513779     12.00428160    -17.00016744
  O     18.01978884     14.75743932    -13.36839803
  H     14.04062091      9.58094561    -17.01396133
  H     13.10809020     13.26362301    -15.69800316
  O     13.18494238      8.64744904    -15.76241063
  H     15.54240544      8.30120369    -12.70302961
  H     11.69621545     13.89001123    -15.56664685
  O     14.26575931      6.01042969    -11.30968343
  H     16.09235225      9.21172246    -11.56429664
  H     19.07412817     11.78212613    -13.76966511
  O     14.74099788      5.09256844    -13.81794959
  H     18.65034000     15.44953142    -13.18558692
  H     18.71969554     12.98849284    -12.90352582
  O     15.51387981     11.41668629    -13.68330699
  H     17.37237224     14.77319533    -12.64118012
  H     13.54277549     12.67350440    -11.30641790
  O     12.87034022      9.57126551    -11.62752570
  H     12.94806687      9.39052278    -15.18742489
  H     13.21080612     11.25641984    -10.77734306
  O     15.52544118      7.71271583    -14.46416747
  H     12.74190289      7.85938120    -15.41474199
  H     16.49541572      9.03368425    -15.28147317
  O     18.87627761     11.60712338    -15.60136501
  H     14.76825436      6.83687356    -11.28094979
  H     16.10659588      9.95531364    -16.46482224
  O     12.85785023     10.79815015    -14.10109697
  H     13.33626640      6.27096657    -11.31570924
  H     11.95101817      6.64224713    -13.54978544
  O     14.51273235     12.89420199    -16.63615668
  H     15.07458846      4.20039676    -13.84615369
  H     13.02345764      5.85723822    -14.32296945
  O     12.35203327     13.38629965    -15.09372361
  H     14.61056328      5.31671142    -12.87861777
  H     15.07733003     12.37773209     -9.76981791
  O     18.96523111     12.05880822    -12.84847728
  H     15.99159336     11.02053024    -14.42140740
  H     16.02200146     12.55390865     -8.55491282
  O     13.52374366     12.12809749    -10.50903662
  H     16.01076306     11.20308758    -12.88210256
  H     16.77299554     11.34805625    -10.71329097
  O     16.71646413      9.86561557    -15.72217927
  H     13.78088937      9.23748314    -11.62362157
  H     17.80707675     11.15372318    -11.87079617
  O     12.26307601      6.43979718    -14.44058111
  H     12.72926955      9.99582393    -12.48605328
  H     11.98817776      8.02126321    -11.62659022
  O     16.00186348     12.54158703     -9.50784988
  H     15.40919606      6.76430573    -14.32752014
  H     10.84567314      7.07542477    -11.19315845
  O     17.02907778     10.76609066    -11.43919948
  H     14.71785910      8.02419146    -14.89673936
  H     15.36906112     14.49537753    -11.87553080
  O     11.64633077      7.11512176    -11.71001355
  H     18.35783721     12.39497610    -15.80137600
  H     16.22839479     14.04731965    -10.67769412
  O     16.19025139     14.68561777    -11.39944458
  H     18.25249068     10.87462067    -15.70320317
  H     17.35623718     14.19610661    -14.98147729
  O     17.09807737     13.90238660    -15.86957478
  H     13.80320206     10.96625555    -13.95557871
  H     17.37123457     14.59623563    -16.46746029
          69
 Energy    -248.10712887112166     
  O     11.55366931     10.58565480    -12.27643678
  H     10.73712169     10.87242057    -11.87617129
  H     13.24180923      8.78179615    -10.20715494
  O     14.58154575      5.53921915    -14.43380484
  H     11.87687936      9.83160954    -11.75413027
  H     17.80797231      5.15168940    -11.36421535
  O     15.46215846     11.75138740    -15.10937196
  H     15.26390182      4.87858596    -14.60027520
  H     19.11302463      5.61880392    -10.66804041
  O     14.53480956      9.28801123     -9.11287250
  H     14.89441724      6.36002056    -14.84319089
  H     13.13493128      9.71803424    -15.97514009
  O     11.95401835      9.26612179    -14.82895868
  H     14.91880575     11.20421286    -15.68837507
  H     13.48474877     10.00348169    -17.45614951
  O     18.11508806     11.47697477    -14.75400833
  H     14.99810356     11.78780666    -14.26144914
  H     11.71644619      6.31491205    -13.22716749
  O     14.19420157     11.50308679    -12.64398031
  H     15.08009494      8.50003075     -9.26209348
  H     12.77608181      6.12164117    -14.32670683
  O     18.62388756      5.92610744    -14.18789096
  H     15.01941344     10.04154612     -9.46723664
  H     14.97454658      8.60933233    -15.92001146
  O     16.73774554      3.87791451    -11.81612295
  H     11.90254142      8.32357950    -14.60815234
  H     16.37047183      8.22526858    -15.31195773
  O     16.86866381      3.89598608    -14.67132324
  H     11.72943910      9.75126522    -14.02945104
  H     10.96965394      5.82416896    -10.66971407
  O     14.36685639      5.33408728    -11.65360841
  H     17.16354259     11.60964346    -14.92056767
  H     11.97283616      6.91906514    -11.10996626
  O     12.77085019      8.48846856    -11.00167209
  H     18.57489999     12.16459150    -15.22766052
  H     15.26654658      6.38819657    -10.40715214
  O     18.36344098      5.92856160    -11.17006032
  H     14.62037114     11.65904391    -11.79029228
  H     16.70807314      6.57368769     -9.92983562
  O     13.86688445      9.92449213    -16.58670796
  H     13.25260645     11.35561142    -12.49164489
  H     15.89621911     12.39351334     -9.69548510
  O     11.95813360      6.59097530    -14.11819250
  H     18.55011262      6.82821599    -14.52557070
  H     16.53315011     11.56576190    -10.83503537
  O     15.44719596      7.95117223    -15.39542579
  H     18.69138283      6.00165223    -13.23088644
  H     16.56848884      8.47495986    -12.11177054
  O     11.65453686      6.01951013    -11.30329114
  H     15.85086357      4.22759458    -11.64813148
  H     17.79903744      7.63155723    -11.65421033
  O     15.81357073      6.88580164     -9.78258242
  H     16.77649632      3.69910429    -12.76377237
  H     14.70918972      9.72374495    -12.79457843
  O     15.72198367     11.68385835    -10.30860395
  H     17.52086457      4.61479181    -14.58998849
  H     14.95538726      8.47412603    -13.68304046
  O     17.53518381      8.47028160    -12.04612719
  H     17.20731621      3.28827105    -15.32310049
  H     17.88463975     10.24314766    -11.83590116
  O     14.86610443      8.76994102    -12.76917526
  H     14.45497764      5.48692991    -12.60576891
  H     18.01028957     11.42405955    -12.81006242
  O     17.87553556     11.21048510    -11.88015856
  H     13.42550267      5.39170951    -11.45550068
  H     18.21087992      9.59751320    -14.89934329
  O     18.06654473      8.65657931    -14.74296874
  H     13.45268196      8.41885209    -11.68797856
  H     17.91150050      8.58140232    -13.78772353
          69
 Energy    -248.10704150229614     
  O     -2.59019910      4.62616467      4.52682343
  H     -2.97480508      5.42264602      4.88239568
  H     -2.67271023     -2.20019394      3.84100181
  O     -2.82298755      3.37386042      1.99011102
  H     -1.70590037      4.86415238      4.19019599
  H     -0.15989538     -1.04997570      2.39347111
  O     -1.42330130      2.24007553      5.61800256
  H     -2.91403460      3.88006029      2.80595901
  H     -1.22281033      0.10290752      2.41881316
  O      1.90907306     -2.60700140      0.81799976
  H     -1.89810402      3.45490287      1.71043597
  H     -3.94768615     -1.28605744      1.82719588
  O      0.26069270      0.36467415     -1.77150296
  H     -1.96564134      3.01129601      5.40983548
  H     -3.47001230     -0.48137723      3.04299583
  O     -1.46583366     -1.42329233     -0.46624376
  H     -0.50996464      2.55910967      5.60354789
  H      1.07360981     -2.04455022      4.02359618
  O     -2.47495433      0.99929053      3.35855385
  H      1.52034589     -2.66441825      1.69825315
  H     -0.32506478     -2.63952468      3.71080951
  O     -4.14953607     -0.74727056     -0.03127385
  H      1.32110150     -3.10749942      0.23367780
  H     -0.10653895     -4.04936648     -1.73926262
  O     -0.97012701      2.75003044     -1.49311070
  H     -0.36081067     -0.29829241     -1.44116468
  H     -0.59416279     -2.97720338     -0.75225012
  O      2.68900223     -0.32483100     -0.41069666
  H      1.11866759      0.13867934     -1.39373138
  H      1.67750375      2.65740310      4.98073801
  O     -0.74922855     -0.51005315      6.12440930
  H     -2.42096600     -1.29895396     -0.42981436
  H      1.71789877      3.68884590      6.13388297
  O     -2.03495579     -2.54950208      4.48780277
  H     -1.11607201     -1.04946602      0.35737729
  H      0.79011574      0.79745084      1.64254250
  O     -0.53531562     -0.31769757      1.88645839
  H     -2.68270062      1.77089880      2.81542858
  H      2.09704374      0.93168776      0.84230930
  O     -3.77053618     -1.36163594      2.77083598
  H     -2.08047502      1.34076600      4.17006971
  H      2.28707809     -1.42640095      6.15727232
  O      0.53712778     -2.43869591      3.32264473
  H     -4.96658834     -0.87891446     -0.50480000
  H      0.91141848     -0.84117150      5.74786174
  O     -0.00451146     -3.74362970     -0.84147596
  H     -3.92651443      0.19730338     -0.12033584
  H      2.31037883      0.51189453      4.52053101
  O      1.16181085      3.34468168      5.44029058
  H     -0.49123868      1.91071248     -1.61782758
  H      2.23350862      1.36553293      3.22083404
  O      1.56410553      1.36979077      1.51619762
  H     -0.93723577      3.21059692     -2.32738405
  H     -0.01185425      4.61438736      2.64309793
  O      1.79951571     -1.07160136      5.41848924
  H      3.55813925     -0.46501264     -0.77582430
  H      0.44283866      4.48715206      4.11988925
  O      2.46019178      1.39392120      4.16038263
  H      2.44077691     -1.15149716      0.04257426
  H     -3.41277843      2.43173710      0.49014581
  O     -0.10822566      5.00716781      3.52033226
  H     -1.32443937     -1.08841502      5.60882047
  H     -2.63530150      2.10602822     -0.78948942
  O     -3.41522116      1.85149738     -0.28205337
  H     -1.10134607      0.38594269      6.06854702
  H     -0.40895166      3.39015019      0.17305643
  O     -0.16181118      3.51438702      1.09865840
  H     -2.46981895     -3.27503849      4.92901130
  H      0.50385768      2.83600889      1.28058983
          69
 Energy    -248.10702839108365     
  O    -10.19036146      1.41350835      3.56721662
  H    -10.34927365      2.20412747      3.03341741
  H     -9.98873094      0.50411678      6.51671776
  O     -6.40007377      2.41321862      6.66939251
  H    -10.08053140      0.67596097      2.95449861
  H    -11.27135250      6.14020851      5.18744974
  O     -8.01525150      4.80414799      5.02164312
  H     -5.55834081      2.82657727      6.44477859
  H    -12.08625125      5.72361688      3.95338720
  O    -12.50277101      3.20632498      5.88828349
  H     -6.82310165      2.22981265      5.81436923
  H    -12.83977484      3.70121572      4.24024701
  O     -7.57817208      2.24049555      4.17259823
  H     -7.84267927      3.93129068      4.63479476
  H    -13.89283950      4.04392650      3.16128400
  O     -8.95258105      3.49506340      7.33191276
  H     -8.39796952      4.60854132      5.88179536
  H     -8.91409586     -0.91565183      2.45384746
  O    -10.99237822      5.34877723      7.01818375
  H    -11.93006245      2.46042146      6.10630413
  H     -9.87703251     -1.31947606      1.31104698
  O     -6.70341512      5.68085763      1.62526672
  H    -12.11877633      3.96787060      6.34089367
  H     -8.43714155     -1.29616367      4.75527009
  O     -4.42558093      1.56534749      3.38107240
  H     -8.42945003      1.84274284      3.95741019
  H     -7.11148893     -1.16464969      3.97338209
  O    -10.57517934      3.62477899      1.95314321
  H     -7.09503937      2.37046467      3.34592687
  H    -10.00485686      6.29485024      3.18056844
  O     -5.29887281     -0.82839628      4.32648971
  H     -8.03388480      3.19657198      7.33633400
  H     -8.74772465      5.55737740      3.62790971
  O    -10.39908029      1.34483317      6.28167377
  H     -9.47074875      2.74316628      7.00546247
  H     -6.38062061      3.80358416      1.66142726
  O    -11.48418604      6.40175120      4.28417408
  H    -10.26638566      4.74693297      7.24904804
  H     -7.08276527      2.48685469      1.23923535
  O    -12.96186289      4.09925764      3.35985513
  H    -11.14928027      5.88794480      7.79049491
  H     -8.04258651     -0.82877641      6.80620917
  O     -9.47207378     -0.56744459      1.73395681
  H     -6.58811542      6.23201824      0.85484012
  H     -9.17117230     -1.83013068      7.14361243
  O     -8.05295841     -1.35441080      3.87325391
  H     -7.60308518      5.84815700      1.95151088
  H     -5.91743164     -0.57453037      6.09920694
  O     -9.18280649      5.91761880      2.83836618
  H     -4.94956860      1.99878017      2.69442682
  H     -6.31882001      0.59736645      7.01152738
  O     -6.34122660      2.84456971      1.75238773
  H     -4.25722371      2.23105681      4.05894598
  H     -3.25433910      3.86094554      5.75384529
  O     -8.96768245     -1.06509843      6.61155881
  H    -11.46532504      3.78505446      2.29491839
  H     -4.51633644      4.31599221      4.98623538
  O     -6.37753228     -0.36348783      6.92182151
  H    -10.05375633      4.40490538      2.18455393
  H     -9.36708334      2.52355389      0.88898179
  O     -4.09918878      3.55741774      5.43192348
  H     -4.99646614      0.02812356      3.97820858
  H     -8.90335918      1.05150270      0.86446162
  O     -8.65438137      1.94354156      0.59261198
  H     -4.62642334     -1.46452213      4.09591539
  H     -6.31938810      5.44223568      4.66096305
  O     -5.46132008      5.57281576      4.23227934
  H    -10.38386802      1.37752642      5.31173232
  H     -5.67299430      5.71151598      3.30296257
          69
 Energy    -248.10691636252818     
  O      1.90964211     13.52152227     -0.32119767
  H      1.15364073     13.00761358      0.01388793
  H     -0.07442135      6.83860346     -0.34682217
  O     -0.09862592     11.85692458      0.45627359
  H      1.86042010     14.38279550      0.08626428
  H      1.92606398      6.38718246      0.16708219
  O     -2.01463891     11.06323522      3.75926658
  H      0.04856874     11.14722931     -0.18894381
  H      1.74841827      5.01222236     -0.51524104
  O      0.56582439     10.56822303      2.83484079
  H     -1.04849686     11.87578073      0.62808353
  H      1.79160601     10.47987013     -4.65023292
  O     -1.61441240     10.02294690     -3.40645779
  H     -2.05561245     11.48914231      4.61208135
  H      2.96484097     11.31062218     -5.22493945
  O      0.90471705     13.09222954     -2.97099963
  H     -1.07423702     10.91619788      3.56621908
  H     -1.17747785      7.86714315      2.93917477
  O     -1.74676322     12.83762220     -3.32637364
  H      1.50950255     10.36191477      2.84943968
  H      0.04852748      8.78857121      2.75139257
  O      2.30364381      7.22583144      1.67675891
  H      0.40002908     11.03169005      2.00110710
  H     -2.77903109      9.27848672      3.40209176
  O     -3.81172182     12.15012717     -1.48454670
  H     -1.67278986     10.98536689     -3.48157101
  H     -3.19772191      8.47275042      2.15632499
  O      0.17169394      9.78696552     -1.27552317
  H     -2.47793155      9.72059205     -3.10148624
  H      1.10059117      8.40993002     -4.23249925
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  H      1.35787647     13.26261927     -2.13800041
  H     -0.15594269      9.30966751     -4.41033585
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  H      1.46664379     12.50168393     -3.48888655
  H      4.02712872      9.88968304      3.03094682
  O      1.54954741      5.94015556     -0.61186104
  H     -0.79649187     12.97167374     -3.16090049
  H      3.42331455     10.37060772      1.68987661
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  H     -1.97972992     13.42056811     -4.04488356
  H     -3.58187905      8.96074279     -0.59486888
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  H      2.74367975      8.06141680      1.86778283
  H     -2.34761708      8.30145624      0.07178263
  O     -2.92652108      8.38136827      3.07929822
  H      1.46732855      7.26597618      2.16072705
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  H     -3.08575979     12.49964972     -2.01717994
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  H     -3.50097234     12.11291094     -0.57052227
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  H     -2.67418731     11.47725334      2.01845788
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  H     -0.07487473      8.96481765     -0.83211001
  H      1.89376180      6.81853610     -2.28147596
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  H     -4.15613886     10.52210134     -2.00994811
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  H     -0.54267558      7.58415845      0.92583125
  H      1.92537594      9.85420181     -1.73727823
          69
 Energy    -248.10680371494766     
  O     -0.08163069      0.83708319      2.12791820
  H     -0.10535747      0.06239491      2.70817892
  H      4.27368857      2.09066647      1.40112476
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  H     -0.04388211      1.61175031      2.70309300
  H      0.83259599     -3.02309339      1.68613556
  O      4.38610193     -1.27339612      2.75539792
  H     -1.18736785     -1.64963763     -0.42733950
  H      0.06128157     -4.30282200      2.09173627
  O      1.71154607      3.28820017     -0.30614298
  H     -1.27311747     -2.52588339      0.84300325
  H      0.99311205      4.20510268      1.16881633
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  H      4.38260091     -0.36205630      2.41796001
  H     -0.24989648      5.04258433      1.53747697
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  H      2.37273712      4.95649828      2.70563147
  O     -1.94740135      5.21135903      0.76685967
  H      1.70808810      2.32787382     -0.21506127
  H      3.75394225      4.55491827      2.17128086
  O     -2.66383181      2.61415414      4.67343124
  H      0.92033474      3.52525442     -0.81419690
  H     -1.18655993      4.36573713     -0.75939432
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  H     -0.72854717      0.13215745     -1.70904522
  H     -1.23551962      3.03397962     -1.53686216
  O      2.27589526     -2.23451454      1.11718125
  H      0.63561614     -0.20312150     -1.08070852
  H      2.48968144      0.43834201      4.63843563
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  H     -2.92229053     -0.03194492      3.05097778
  H      3.02749046     -0.89699710      4.10399086
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  H     -1.91797698     -0.51052722      4.11442873
  H     -2.48541318     -0.45475790      0.76657883
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  H     -1.70839637      0.70915027      1.40978618
  O      0.59490087      4.72513683      1.88058425
  H     -2.54290113      5.95512445      0.73182094
  H      2.64829829      0.71718258      0.73798362
  O      3.27328879      4.74772673      2.98499005
  H     -3.14517059      2.79457822      5.47618903
  H      1.11157925      0.60074810      0.90238106
  O     -0.70623005      3.83042259     -1.40321304
  H     -2.71145843      1.65201344      4.52522925
  H     -2.96364391      1.22921790     -2.10230058
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  H      0.12964393      3.65931885      3.27025073
  H     -2.40734327      1.11474298     -0.66861235
  O     -2.57805116      0.46956045      1.05073631
  H     -0.88059957      2.94769208      4.24782937
  H      1.74100590      2.43252518      4.19744469
  O      1.83495234      0.51061652      0.25789146
  H      3.03722546     -2.05592461      1.68313282
  H      3.05222345      3.16552714      3.91096316
  O     -2.19939635      1.42414792     -1.56347899
  H      2.10543235     -1.40948032      0.65019866
  H      4.85068155      4.12899814     -0.19671804
  O      2.69696792      2.29343473      4.13784200
  H      0.64693778     -1.07478589      4.26733070
  H      3.40340228      3.67130509      0.09935394
  O      4.29832852      3.73808258      0.47528083
  H     -0.17822082     -2.06554897      3.37481507
  H     -3.16826246      2.21795280      1.58132752
  O     -3.21046475      3.11561951      1.93084582
  H      3.49762818      1.61535948      2.66019044
  H     -3.11758960      3.03149915      2.88823307
          69
 Energy    -248.10645834709689     
  O     16.79089735     10.41047040    -14.47548109
  H     17.55187930      9.83913122    -14.64889998
  H     12.84074812     11.54777698     -8.89362996
  O     14.71637207      6.87680086     -9.04531950
  H     16.02605548      9.98932467    -14.89856814
  H     16.76110938      5.06947889    -15.47274930
  O     12.53974116      8.29126823    -10.25729695
  H     15.08221955      7.73910609     -8.77521403
  H     18.04643424      5.76453995    -15.94737987
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  H     14.76252652      6.30719201     -8.28261780
  H     15.56517270      7.81151433    -11.81461119
  O     18.93301154      8.66933969    -14.66682306
  H     12.71371700      9.17913265     -9.92243876
  H     15.35373963      6.67986217    -10.78303866
  O     20.69952606     10.12451246    -13.05107378
  H     13.19108689      7.71780397     -9.83624207
  H     18.75352053      7.84242393    -16.25400361
  O     18.07582683      6.66908093    -12.97063611
  H     14.97760601      8.58114305    -16.24911958
  H     19.29175649      7.36912065    -17.62291048
  O     11.64708353      7.84752761    -12.76791442
  H     14.44836728      8.24609286    -14.83951584
  H     16.68096650      7.44956215    -17.41876879
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  H     19.65662244      9.13217629    -14.22709410
  H     15.42444274      6.62489575    -17.08846873
  O     12.57925436     10.27426387    -13.97450844
  H     18.61726942      7.98468632    -14.05562158
  H     14.91454330     10.17774855    -11.97410553
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  H     21.53745888     10.57922957    -13.03073671
  H     16.05358434      9.75862507    -12.92680266
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  H     20.02122667     10.77305157    -12.79703640
  H     17.90960879     11.30483795    -13.08845847
  O     17.69333709      5.19295712    -15.25488361
  H     17.24036848      6.65326388    -12.48569477
  H     18.22672757     11.23282553    -11.57375169
  O     15.60246706      6.84754568    -11.69916360
  H     17.99360487      6.03000790    -13.69424282
  H     18.32350992      9.38068721    -10.42469797
  O     18.54710223      7.29728009    -17.03085508
  H     10.72930042      7.59370964    -12.71858543
  H     16.90098976      9.83778503    -10.85057964
  O     15.71655492      7.47162286    -17.44998849
  H     11.94598774      8.00009122    -11.85306925
  H     14.52074934      6.63095002    -13.11871111
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  H     16.76193442     12.95490207    -12.75518413
  H     13.08175014      7.00671515    -13.55984123
  O     18.49522912     11.65352532    -12.40467988
  H     16.08917642     12.21942352    -13.90924965
  H     19.13766168      7.57710102    -11.68820432
  O     17.64202847     10.05160364    -10.26378132
  H     13.22060667      9.95580583    -14.62222060
  H     20.10419553      8.77672721    -11.70893263
  O     13.93608212      6.69783719    -13.88733219
  H     12.16136932      9.48517929    -13.60792447
  H     16.38688167      9.67552469     -8.91033531
  O     19.54818371      8.24781265    -11.12616839
  H     13.26441747     11.26456431    -12.67807227
  H     14.88123807      9.98493060     -8.70960613
  O     15.58569454      9.37270047     -8.46333475
  H     14.45739473     12.22244174    -12.34392786
  H     14.33624402      4.43013685    -16.14318770
  O     14.91752828      5.15920138    -15.94203320
  H     13.46490726     11.26328333    -10.27876406
  H     14.50693498      5.65149726    -15.21155899
          69
 Energy    -248.10643158371897     
  O     11.30073575     10.95409985    -12.31284546
  H     10.47652789     11.24272783    -11.92924522
  H     16.59385716     14.28873662    -15.60012567
  O     20.65761366      8.49953054    -11.56262184
  H     12.01183062     11.38526635    -11.80836620
  H     12.94781569      8.67359981    -15.77901901
  O     17.05189110     11.30328051    -11.67313099
  H     20.71340590      9.11255850    -12.31772999
  H     13.95903725      7.90242336    -14.91785561
  O     16.71676858      6.93278120    -12.05281395
  H     21.52737529      8.45794014    -11.17491797
  H     15.07644504      9.63327125    -13.53092501
  O     14.20503663      7.16126557    -10.76568014
  H     16.32116135     11.03251135    -12.25265604
  H     14.30345628     10.94358213    -13.82153006
  O     19.27983438      6.62249162    -13.26063986
  H     16.65227049     11.62686786    -10.85768082
  H     13.99446524     10.53371518    -16.93535044
  O     12.73760746     11.74484631    -14.64002691
  H     17.19957760      7.61458349    -11.56214028
  H     12.78326579     10.22690151    -17.84837551
  O     17.63675119      9.55536484    -15.66090551
  H     15.85203908      6.86524097    -11.62814309
  H     15.08653100      8.44539478     -9.67037082
  O     18.05600390      8.91933765    -10.64701772
  H     13.75593387      6.43188247    -10.34530120
  H     16.55262334      8.90174494     -9.52653743
  O     15.60546531     11.15427099    -16.74369386
  H     13.55346572      7.57571759    -11.35906205
  H     20.00233317     10.74450142    -13.89974734
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  H     19.78714077      7.11958830    -12.60652846
  H     20.52082966      9.41252066    -14.48956561
  O     16.44845874     13.44469088    -15.17909577
  H     18.38962731      6.53312906    -12.89851772
  H     13.65585227     13.20480006    -14.04135588
  O     13.01119604      8.00329305    -15.09043966
  H     12.68635062     11.22329494    -15.45054266
  H     14.16004164     13.43190089    -12.62214388
  O     14.90715205     10.52310811    -13.19769877
  H     12.09663799     11.39689570    -14.00798828
  H     14.04038451     11.37815821    -11.85266572
  O     13.07237760     10.21731676    -16.94022480
  H     17.90621464     10.27893709    -15.07757311
  H     14.15576277     12.00088184    -10.44650185
  O     15.65948741      9.05360447     -9.18785640
  H     18.40437947      8.98084197    -15.76937099
  H     18.04389902     11.64120977    -13.14501609
  O     20.66837136     10.05466955    -13.78376051
  H     17.78835013      9.76090928    -11.04351302
  H     17.83400176     12.38859752    -14.47541706
  O     14.28522564     13.73394477    -13.52708402
  H     18.99393687      8.79884321    -10.83805328
  H     12.50586671      8.12164972    -13.36128188
  O     13.60218288     11.98589919    -11.23572482
  H     15.82825432     11.97131075    -16.28350164
  H     11.94199248      9.12208223    -12.33115061
  O     18.39228534     11.72927946    -14.04403967
  H     16.30689821     10.52928189    -16.51712412
  H     15.54371603     10.77832643     -9.16688241
  O     12.36905425      8.26396466    -12.41238837
  H     20.36750165      7.35962902    -16.15971938
  H     15.78820299     12.10986598     -8.41441544
  O     15.57282217     11.74788880     -9.26913356
  H     19.65623365      7.38695586    -14.78469842
  H     16.38203125      8.54279856    -14.83456020
  O     15.67726864      8.10843219    -14.33585652
  H     15.72597369     13.57761439    -14.54165199
  H     16.08224468      7.62925667    -13.60167117
          69
 Energy    -248.10634696730125     
  O     -2.45162096      3.66207156      3.67697531
  H     -3.39387213      3.86690258      3.73022595
  H     -2.87820447      1.64407068     -1.16144454
  O      0.76147272      4.40757736      1.19542287
  H     -2.23706629      3.69344585      2.73239103
  H      1.45676808      1.49298991      2.08642065
  O     -0.80679625     -0.47461155      3.17339050
  H      1.48457258      4.89564941      0.81099292
  H      0.82436440      1.01058524      0.77134391
  O     -4.39272261     -1.16758886     -1.14192649
  H      0.97819088      3.46204356      1.09833750
  H     -4.82168274      2.94699133      2.54464860
  O     -2.19681947     -2.47838993     -0.23703316
  H     -0.05774357     -0.00670519      3.56269164
  H     -5.99673148      3.35081352      3.43181259
  O     -4.19363998      1.36139062      1.61578749
  H     -0.69797959     -0.40391446      2.21362367
  H     -2.70839491      4.55479325      0.75388445
  O     -7.84699929      1.52903138      1.07684610
  H     -4.41004709     -0.34134592     -1.63591032
  H     -1.11910387      4.37422914      0.90039516
  O     -2.99239294      0.95669269      4.07273730
  H     -5.06746111     -1.08705869     -0.45362515
  H     -4.99713368      4.47825574      0.11393966
  O     -4.36309357      1.49547611     -2.30580199
  H     -2.08343111     -3.26879629     -0.75823711
  H     -4.79136722      4.87088243      1.56831357
  O     -6.05536488     -0.68978406      1.07010929
  H     -2.97369379     -2.01471559     -0.59805877
  H     -4.70810237      0.45103430      4.58848508
  O     -5.42303257     -2.33669770      3.26282583
  H     -3.48552729      1.32560524      0.95832418
  H     -5.64606417     -0.70846677      4.21305083
  O     -2.29994818      1.59405029     -0.39178104
  H     -3.80829987      1.11532225      2.46801869
  H      0.53611061      4.10840157      3.11437953
  O      1.32885458      1.73520608      1.16069927
  H     -7.43569351      0.65571831      1.02510195
  H     -0.62804223      3.78962199      4.07008140
  O     -5.16568368      3.68188176      3.07068823
  H     -7.79540224      1.78093903      2.00694911
  H      2.02421871      1.11137705      4.60889783
  O     -1.97896686      3.93854374      0.91445045
  H     -2.71393257      1.88234909      4.08279272
  H      0.96235825      2.10037834      4.07302886
  O     -4.47614058      5.06488738      0.67539861
  H     -2.22053665      0.42568770      3.83429860
  H     -8.05600949      2.22695084      4.53715089
  O     -5.63734343      0.18500568      4.57630353
  H     -4.56073428      1.77529291     -3.19566761
  H     -6.79486393      1.42065431      4.14995401
  O      0.33243550      3.73067382      3.97861331
  H     -4.98375755      1.96087546     -1.71905604
  H     -2.09579888     -1.86923604      2.91191308
  O      1.30828726      1.19431537      3.98470874
  H     -5.97925950     -1.34604256      1.77365579
  H     -2.61561353     -2.50494852      1.60795610
  O     -7.38004984      2.14750343      3.86931073
  H     -5.43932413      0.01872376      1.30781864
  H     -1.11718210      0.39678049      0.07253636
  O     -2.81134545     -2.40357939      2.54782920
  H     -4.47465842     -2.38558372      3.04459981
  H     -0.92435119     -1.12758705      0.12549766
  O     -0.52163589     -0.29549581      0.40081712
  H     -5.67561551     -3.19860816      3.58220973
  H     -5.19205433      2.33223194      0.32927853
  O     -5.80290213      2.69885008     -0.32396767
  H     -2.15094361      2.48403534     -0.03539199
  H     -6.67386923      2.43372651      0.00645263
          69
 Energy    -248.10622995214132     
  O     16.48596742      4.80198993    -13.62380983
  H     16.61516751      4.80875927    -14.58486349
  H     18.92917435      7.35905141    -15.39020742
  O     14.86853638     12.44453663    -11.58272791
  H     17.34755600      4.75878789    -13.19178906
  H     14.67759990     11.00154681    -14.62146081
  O     17.11374136     11.49586579    -13.10814308
  H     14.26327797     11.98672772    -12.19017244
  H     15.66140642     10.27951381    -15.59519482
  O     10.97654823      8.06820928    -15.43345194
  H     14.48254757     13.29659206    -11.39741905
  H     16.17415963      6.63547547    -13.48153492
  O     17.62007961      6.58044324    -10.46076579
  H     16.49050961     11.96303628    -12.53858039
  H     16.09623867      7.95602200    -14.31932993
  O     12.79339027      6.56180565    -13.87904428
  H     16.68377283     11.46499951    -13.97138524
  H     14.53342782      5.35771750    -11.12770698
  O     13.37038787     10.85186408    -13.27778501
  H     11.36445302      8.00729904    -16.31527409
  H     14.37383967      6.83814441    -10.79156442
  O     13.01852450     10.71298584    -16.99195495
  H     11.47680869      7.45754160    -14.87657069
  H     19.53366056      4.45603828    -11.83058845
  O     16.67825669      5.17008964    -16.30416818
  H     17.72096095      7.50344039    -10.71793198
  H     18.47546313      5.54654179    -11.52085032
  O     16.21065329      8.63525005    -15.99310348
  H     16.67007455      6.40257693    -10.39854374
  H     14.89552947      4.39527599    -13.03090470
  O     14.26756734      6.70352340    -16.34370885
  H     13.06812872      5.71494103    -13.50411227
  H     13.79824393      3.37411063    -12.64328093
  O     18.62322136      7.29840250    -16.31277586
  H     12.99084485      7.22282385    -13.20258436
  H     17.10701660      8.51668355    -12.42054661
  O     15.31309726     11.14704940    -15.33636041
  H     13.45172089      9.98310594    -12.86287670
  H     17.64027228      9.96581179    -12.30910482
  O     15.98506465      7.58033170    -13.43715810
  H     12.53360174     10.86435278    -13.75956918
  H     19.01538519      8.10765305    -13.09321849
  O     14.86113833      6.04758666    -10.53895842
  H     12.33155059     10.87044842    -16.33280631
  H     19.32181288      6.60488664    -13.23044033
  O     18.90299932      5.04214083    -12.23899423
  H     13.84912844     10.98010512    -16.57932512
  H     12.72274221      9.11505513    -17.63008227
  O     13.99165701      4.30731006    -12.67951089
  H     15.83298491      5.61182555    -16.46273468
  H     12.21291809      8.21654420    -18.78375950
  O     17.70240916      9.08575014    -11.90668846
  H     17.36880120      5.83374629    -16.42510064
  H     16.23253729      9.70001259    -10.68912672
  O     19.36514669      7.44723001    -13.70095311
  H     15.53023466      7.98984716    -16.23388480
  H     15.22927701     10.86053722    -10.57057217
  O     12.48434407      8.20124825    -17.87012218
  H     17.07253571      8.26450214    -16.22336185
  H     10.20791583     11.08700853    -14.81938005
  O     15.36538469      9.93328633    -10.33722257
  H     13.65479527      7.12114399    -16.96366224
  H     10.97417010      9.75613089    -15.01577857
  O     11.08320910     10.71145061    -14.85816564
  H     13.80738298      6.63539092    -15.49687110
  H     14.24879742      8.93998216    -11.29260948
  O     13.85074763      8.39872607    -11.99342127
  H     19.38924628      7.42905191    -16.86526016
  H     14.59468918      8.07796725    -12.53290436
          69
 Energy    -248.10570547103282     
  O     17.06344059     10.13669584    -11.34009314
  H     17.78164893      9.51938893    -11.52766779
  H     14.89721416     10.17935756     -8.07240011
  O     15.16940473      6.75897466     -6.34842123
  H     16.29643490      9.85864885    -11.86102263
  H     17.85000778      5.66153045    -13.37683114
  O     17.20018231     12.24725787     -9.58972084
  H     15.24227615      6.27127091     -5.53200022
  H     16.47712287      5.07425450    -13.00745574
  O     12.98848119      8.45633911     -7.23274773
  H     15.95488738      7.33050291     -6.40045446
  H     15.48659406      7.33462620     -9.20732743
  O     14.82706972      9.15578060    -12.60557181
  H     17.19336138     11.58096798    -10.29388837
  H     15.24004000      6.20003814     -8.20853467
  O     19.04514637      8.21790997    -11.65439202
  H     16.29857091     12.58690947     -9.54522457
  H     18.81474454      7.66219177    -13.34740583
  O     20.81403424      9.28751357     -9.76475685
  H     13.37507196      9.33874154     -7.13985977
  H     19.34443039      7.32359625    -14.75856224
  O     17.92251701      6.07089280    -10.29574567
  H     13.64564290      7.84287990     -6.88518398
  H     16.27468672     11.12347992     -6.75530888
  O     11.99637140      8.50097952     -9.76776059
  H     14.48814465      8.39575131    -12.11550166
  H     17.28589284     11.50873503     -7.81650242
  O     13.28899383     10.81217013    -10.93421950
  H     15.13765112      8.81028209    -13.45489495
  H     15.40656878      6.92756329    -14.46604018
  O     14.40050717     12.80733549     -9.47602967
  H     19.73625097      8.59271836    -11.09406373
  H     16.76140223      7.63606162    -14.65602213
  O     14.46774861     10.80693799     -7.46802793
  H     18.63820726      7.48927763    -11.16060449
  H     16.54750895      8.86535946     -8.36313759
  O     17.41555345      5.03448153    -12.78571465
  H     20.43431025     10.08095218     -9.34937616
  H     16.35875892      9.42473294     -9.81911771
  O     15.37890712      6.36925406     -9.14628174
  H     21.76130453      9.39889855     -9.75001457
  H     18.97575876     11.89909645     -9.05917139
  O     18.57564077      7.25756617    -14.19750386
  H     17.05729094      6.09510639     -9.86757842
  H     19.29467336     11.34377028     -7.67725710
  O     17.22657653     11.16326810     -6.91425969
  H     17.80428081      5.57218625    -11.11811667
  H     14.29005521      6.54655862    -10.56142629
  O     15.80828316      7.75976618    -14.74667529
  H     11.04478463      8.48800855     -9.69998717
  H     13.02470438      7.38142848    -10.84246301
  O     15.90574842      9.01818525     -9.07085844
  H     12.33869302      8.44155979     -8.85843502
  H     19.95568260      7.93857124     -8.68775170
  O     19.67004040     11.44955209     -8.55595025
  H     12.80298349     10.10520573    -10.49408288
  H     18.97934590      6.75765629     -8.88605262
  O     13.72752616      6.88036991    -11.27578838
  H     13.78698276     10.38105513    -11.64085095
  H     17.47147579      9.34562812     -6.64580252
  O     19.37815025      7.32844324     -8.21540301
  H     13.99317038     12.12761712    -10.04389475
  H     18.14623680      8.01673348     -7.16670594
  O     17.35688517      8.39126596     -6.74456423
  H     13.91735751     13.61512312     -9.62764053
  H     14.24527145      5.91759898    -12.70863592
  O     14.65392951      5.45668950    -13.45928947
  H     14.31739289     11.59940889     -7.99672635
  H     14.01060194      4.82669851    -13.77520851
          69
 Energy    -248.10557942067945     
  O     13.61814386     12.04827730     -8.30875865
  H     13.69551741     12.18472287     -7.36814801
  H     13.57020556     14.93854226    -11.53156247
  O     10.95052420     11.18922432    -14.72647915
  H     14.34025771     12.55228140     -8.72533674
  H     12.30525371     13.32936197    -16.56822509
  O     13.78404294      9.54438160     -9.65330689
  H     11.13139657     11.25100805    -15.67288054
  H     12.01420090     14.09869921    -15.26788831
  O     11.48184957     12.57321020    -10.08752164
  H     11.00679933     12.08850157    -14.37072673
  H     15.06479715     11.88112536    -12.06360985
  O     11.36180135      9.94307663    -11.04300378
  H     12.91351909      9.49282234    -10.06672549
  H     13.80597916     11.28016108    -12.77245889
  O     12.93195648      9.80998815    -13.32619294
  H     13.77675289     10.35593113     -9.13035561
  H     16.60810847     11.93245282    -14.54973968
  O     15.28383212     15.68825012    -11.19690211
  H     11.90535392     13.25009686    -10.63467075
  H     16.64914025     10.49652298    -14.00702951
  O      9.20847880     10.13078661    -12.86142047
  H     12.09696110     12.41455277     -9.36058948
  H     11.54761342     11.47019419    -18.25990429
  O     15.05183784     13.09040923    -15.00647061
  H     11.39380290     10.86037681    -10.73155596
  H     12.70216535     11.30435462    -17.23962490
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  H     10.54193980      9.85712955    -11.54452768
  H     15.24495507      9.02355654    -10.40479344
  O     10.98068331     13.78997140    -13.70061470
  H     12.32494544     10.21843407    -13.95764164
  H     16.50898284      8.13421301    -10.32426381
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  H     12.43837216      9.72296363    -12.49877320
  H     14.60891927      9.17603237    -13.60888617
  O     12.66025528     14.00682208    -15.98053190
  H     15.49891211     16.60240516    -11.03022233
  H     15.80292963      8.77929506    -12.71491540
  O     14.26443438     12.10129393    -12.55527106
  H     15.76876752     15.42985657    -11.99933540
  H     16.83240233      8.56935367    -16.55546951
  O     17.15665569     11.31972724    -14.04813715
  H      9.75761972     10.44275576    -13.60069623
  H     15.82293385      8.64916670    -15.40078309
  O     11.77956378     11.60452557    -17.34573699
  H      8.51179354      9.60077017    -13.23992637
  H     16.63280370     10.59067398    -11.07310456
  O     16.08849377      8.81276093    -10.84550494
  H     14.75604847     12.72303780    -14.15886839
  H     17.06006020     11.52677594    -12.23597396
  O     15.55425972      8.96488721    -13.62794117
  H     14.27792285     13.51722517    -15.40617435
  H      9.80160506     12.78028250    -11.07988173
  O     15.90910514      8.71988501    -16.36423002
  H     14.87558406     10.17077929    -16.75705001
  H      9.01235843     11.92332036    -12.08607561
  O     16.73618295     11.51795854    -11.32321470
  H     14.70795336     11.63852686    -16.27888554
  H     16.07202604     14.35615281    -14.08934546
  O      9.18121491     12.83423141    -11.81817490
  H     11.66507466     14.09745977    -13.08977306
  H     17.48432431     14.46365228    -13.50357221
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  H     10.21598121     13.58848375    -13.14232083
  H     16.15408390     12.77106962    -10.09762193
  O     15.63786832     13.36635106     -9.53663079
  H     13.38217741     13.49155161    -12.02440199
  H     15.54502876     14.19114682    -10.02661137
          69
 Energy    -248.10555893749046     
  O     -7.07286311      1.92327810     -0.45979445
  H     -6.75237822      2.00386866      0.45008459
  H     -7.68390553     -0.62001408      3.67417877
  O     -3.85020294      3.41332634     -3.06790357
  H     -6.91791441      2.79237821     -0.85732812
  H     -3.87111604     -1.33442900      2.94932638
  O     -5.81593845      1.92508795      2.05358776
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  H     -5.06685070     -0.72656346      3.69674611
  O     -3.53304538     -1.80955736      1.20757797
  H     -2.98592417      3.20011459     -2.67583659
  H     -0.60407994      0.15963925      1.60466505
  O     -1.39227242     -0.19189652     -2.07621007
  H     -6.23213559      1.24025622      2.59124957
  H     -0.95792106      0.95431616      2.90369317
  O     -5.06123021      1.03188325     -2.14300673
  H     -5.13388268      1.47587126      1.52936414
  H     -1.33880012      2.26546674      1.24589656
  O     -5.41436162     -2.72002694     -0.68085681
  H     -3.64039747     -0.87958208      0.94512113
  H     -2.53852870      3.20023959      1.54798101
  O     -3.90524525     -1.43603106     -2.51304203
  H     -4.15406789     -2.30441591      0.66146076
  H      0.91369714     -1.34615000      0.08564043
  O     -1.53587506      2.65836760     -1.84942443
  H     -0.52395511     -0.33247002     -2.47567523
  H      2.01305820     -0.27128967      0.15142818
  O     -0.93349137     -1.21345167      0.48738075
  H     -1.52088019      0.76351371     -2.01948156
  H      2.60540002      1.96981812      1.39600155
  O      1.30267508     -0.46242813     -2.85414377
  H     -5.84490794      1.30788190     -1.64708759
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  O     -6.87821273     -0.41206082      3.20904056
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  O     -4.11187137     -0.84872793      3.75049708
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  O     -0.39888849      0.95716217      2.11636432
  H     -5.70365650     -3.56712960     -1.00901940
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  H     -3.19731483      1.49008364      0.51513187
  O      1.96671699      1.53266211      0.83796589
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  H     -4.19536127      0.85337379     -0.50363760
  O     -2.24168142      1.03906047      4.24386977
  H     -0.57273877      2.63233212     -1.94811371
  H     -5.87580654      5.09329021     -1.02648934
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  H     -5.29677812      4.11241228     -2.05246332
  O     -3.86146608      0.79890469      0.40073194
  H     -1.75300448     -1.62007043      0.79683900
  H     -3.14302038      2.61017876      3.53767370
  O     -6.08968181      4.31374861     -1.53597348
  H      1.55711107     -0.77865789     -1.96838259
  H     -4.43892431      2.98263438      2.79394965
  O     -3.55800700      3.31114632      3.01916951
  H      1.81794283     -0.95768549     -3.48447848
  H      1.48025783      2.08950755     -0.95387912
  O      1.16954981      2.22722721     -1.85720169
  H     -7.02722874     -0.64418645      2.27438318
  H      1.32129868      1.39067237     -2.31422201
          69
 Energy    -248.10550428492164     
  O     -4.48346014     -4.00253031     -3.67325881
  H     -4.31566088     -3.65533702     -4.55837263
  H      1.21962745     -4.53172172     -4.03298434
  O     -5.23119873     -1.80729588     -2.25092313
  H     -3.69214203     -4.49816418     -3.42562306
  H      1.25951770      1.69598640      0.47135107
  O     -3.75223038     -2.55432811     -6.04724540
  H     -5.00315477     -2.63767436     -2.70694875
  H      1.10821832      0.49296605     -0.48601796
  O     -1.37363053     -0.42244172      1.35178127
  H     -6.14895270     -1.87309828     -2.00145108
  H      1.45386506     -3.08439539     -0.75034393
  O     -1.92853617     -5.00126682     -2.94563603
  H     -3.89708780     -1.71963565     -5.56626571
  H      0.62652597     -1.82537474     -1.05079704
  O      1.19881421     -2.76758098      2.18829841
  H     -4.08489695     -2.42702152     -6.93110820
  H     -1.77093886     -3.94281507      2.65198570
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  H     -2.55372311     -5.27093784      2.75432130
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  O     -1.91636698     -4.80098732      2.22205626
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  H      0.91829431     -6.97532845     -3.46321367
  O     -1.39121948     -2.27578592      3.29556008
  H     -2.05347751     -2.84521333     -5.30806689
  H      1.70698242     -0.69300975     -2.58105169
  O      3.21842718     -1.21470882      1.04839174
  H      1.17864632     -4.64420788      1.94080518
  H      0.19274405     -0.27167250     -2.56380087
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  H     -0.06412571     -5.51317081      1.82049980
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  O     -1.80668625     -3.91348048     -0.43189190
  H      3.44562308     -2.48720253     -0.27095564
  H     -4.54009811     -0.71895464     -3.68882179
  O     -4.02250789     -0.37815287     -4.42946298
  H      3.36785181     -2.70440399     -1.80628620
  H     -3.71232516     -1.44891805     -1.24313207
  O     -2.81809788     -1.38308661     -0.88536241
  H      0.47762186     -3.34696814     -4.67379395
  H     -2.52579738     -2.28959818     -0.70710199
          69
 Energy    -248.10546543819061     
  O     13.62260961     13.47816743    -14.51068305
  H     13.21819763     12.81463744    -15.08126298
  H     17.97436014     10.77314146    -15.42073349
  O     17.49797378      7.00618567    -14.40270586
  H     14.41199006     13.78189158    -14.97532946
  H     15.48414828      8.93383438    -18.32860593
  O     17.83378367     13.56929174    -13.89638144
  H     16.73556250      6.49665994    -14.10282755
  H     13.99927341      9.22631649    -18.56656642
  O     15.03446437      5.78494126    -13.59993792
  H     17.28077099      7.28578342    -15.30021100
  H     16.64129110      9.94198550    -12.95724225
  O     16.23092738     10.94482936     -9.62910278
  H     18.38934239     12.79777228    -14.05767630
  H     16.04591494     11.34256411    -12.63886065
  O     14.86713548      7.30920701    -11.39629673
  H     17.27905344     13.69142269    -14.67576679
  H     13.81678274     11.49938071    -16.66533745
  O     13.68094325     13.54839056    -11.79836598
  H     14.93249648      4.86883721    -13.35724537
  H     12.62891375     10.51917730    -16.69019044
  O     12.44215452      8.76477471    -17.45290542
  H     14.96510842      6.30527987    -12.77791575
  H     17.99493924      8.79377902    -11.80957762
  O     17.15976120      8.50352190    -10.18461036
  H     15.26508888     11.00773273     -9.59852352
  H     18.03690694      8.27134592    -13.28859904
  O     16.33933780      8.14833494    -16.76306393
  H     16.50059826     11.65667437    -10.22340331
  H     12.76121972      9.31181000    -12.32495954
  O     13.89289836      7.57971460    -15.41864307
  H     14.10583972      7.88834846    -11.27382617
  H     11.65732714      8.71948197    -11.41587310
  O     17.05929548     10.62875295    -15.68749817
  H     15.61565787      7.71927323    -10.94715952
  H     15.52816677     13.23345548    -11.67964253
  O     14.88419871      9.48580776    -18.84803659
  H     13.60615467     13.50699671    -12.76745351
  H     16.92906996     13.23673652    -12.38937894
  O     15.92410853     10.55013951    -13.17794676
  H     13.25040140     14.35582943    -11.52768911
  H     20.31544902     11.00651668    -14.22112073
  O     12.99018989     11.27636756    -16.21366129
  H     12.89859323      8.23080454    -16.78132825
  H     19.04781367     10.37665829    -13.60341046
  O     18.22213908      9.03362518    -12.71668941
  H     11.69683062      8.25010380    -17.75239002
  H     15.25193657     11.14102865    -18.16637748
  O     12.56730751      9.00599205    -11.42229738
  H     16.83806243      9.39358580     -9.94673409
  H     16.07730422     11.43715304    -16.89633399
  O     16.41158659     12.84357471    -11.67148383
  H     17.54831187      8.13304048     -9.39693214
  H     13.12191051     10.53120328    -10.43258675
  O     19.36456430     11.07730307    -14.19893577
  H     16.63658473      9.00101948    -16.41298442
  H     13.46894491     12.02591667    -10.61405274
  O     15.43680228     11.82902964    -17.51175162
  H     15.50150994      7.94846538    -16.32249934
  H     16.06535878     14.89595078    -16.57468213
  O     13.50137616     11.29586759     -9.98373773
  H     13.73486935      8.32856814    -14.82459454
  H     15.77526247     13.38448835    -16.69538751
  O     15.95282536     14.09880013    -16.06140107
  H     14.20994767      6.85530262    -14.86485585
  H     14.30840692     10.08605859    -13.56904392
  O     13.42305300      9.82728935    -13.87282541
  H     16.54722272     10.67241292    -14.86641607
  H     13.19900624     10.40035609    -14.61607253
          69
 Energy    -248.10542101205056     
  O     14.87251148     10.10835704     -9.63962254
  H     14.95767110     11.04299694     -9.41215450
  H     16.04044235      6.14499842    -10.90127876
  O     16.11081597     13.46334203    -13.37848470
  H     15.55716692      9.91873856    -10.29633046
  H     12.61799460      6.19045009     -9.72931915
  O     10.53096263     10.89271289    -14.87038209
  H     16.65642855     14.14697928    -13.75738569
  H     12.93900124      5.13555695     -8.64574069
  O      9.99339912      8.34775283    -13.81802662
  H     16.61916941     13.06788292    -12.64761898
  H     13.23770504     12.89805763    -11.98163683
  O     12.44940237     11.43519790    -12.86172679
  H      9.96427754     11.48043658    -15.36191740
  H     14.54849637     13.65813113    -12.26515600
  O     14.74984548     11.25689727    -14.44907857
  H     11.30136368     10.70239531    -15.43979518
  H     12.95633953      9.42433776    -16.33971273
  O     15.19300341     12.85795315     -9.35390411
  H      9.35288062      8.45476331    -13.11768197
  H     13.50741983     10.75284954    -15.77096870
  O     17.03635773      9.52415729    -11.37724906
  H     10.12785961      9.22858079    -14.19681084
  H     18.15300415      6.73814620     -9.52176685
  O     14.52785380      5.04173569    -13.90368114
  H     11.70787403     11.34775044    -13.47187426
  H     16.72152589      7.28470789     -9.28410428
  O     17.31145959     12.32243493    -11.23042884
  H     13.25290074     11.30720038    -13.38817945
  H     11.66422133      7.87297423    -10.80037262
  O     14.09537397      8.07005877    -12.50153772
  H     15.32891846     10.48770242    -14.36250408
  H     11.56910191      6.68167482    -11.77941518
  O     15.20993737      5.82157403    -11.27206241
  H     15.25929057     12.03366245    -14.18775064
  H     15.51326178      6.00190571    -15.01743697
  O     13.33182527      5.82005713     -9.18105390
  H     14.65285449     13.14474805    -10.11292143
  H     16.46178414      6.09323905    -16.23394275
  O     13.85367665     13.54005534    -11.60524554
  H     15.08723969     13.51630961     -8.67307656
  H     12.84049365      7.21220075    -15.55664174
  O     12.75991485     10.36818168    -16.24542891
  H     16.86068480      9.31902892    -12.30602791
  H     14.25300413      7.35108036    -16.14528368
  O     17.38430180      7.08056122     -9.96991101
  H     17.29770724      8.70094744    -10.94751510
  H     12.82116827      7.20367124    -13.43505486
  O     11.49541816      6.92000755    -10.85009318
  H     14.82306254      5.14973493    -12.98948750
  H     11.33031554      7.17427342    -13.88733982
  O     15.97099674      6.62305834    -15.61113633
  H     13.60781116      5.33332162    -13.91918067
  H     15.09144746      8.56852477     -8.62522878
  O     13.34619118      7.66391936    -16.24092550
  H     17.35820069     11.35743423    -11.26528409
  H     14.58375739      7.10890822     -8.48836267
  O     12.12658726      6.62895025    -13.79505573
  H     16.73408823     12.53769384    -10.48779114
  H     16.30747428      8.21260302    -14.61371583
  O     15.33627181      7.68640666     -8.31192389
  H     13.55043266      8.58447508    -11.89409524
  H     15.38091762      8.65643287    -13.47213174
  O     16.17632042      8.91695193    -13.96925690
  H     14.47239512      7.32118132    -12.01902597
  H     12.33768926     10.24623052    -11.50308377
  O     12.44033388      9.55381121    -10.83417750
  H     14.60102267      5.68791392    -10.53319104
  H     13.20869288      9.79347333    -10.29635268
          69
 Energy    -248.10534662553869     
  O     11.61241776      9.11835104    -14.20776509
  H     12.16585024      9.35147935    -14.96241033
  H     18.88813840     11.92926832    -14.65023824
  O     17.33444552      8.00479896    -14.50605412
  H     11.61609498      9.88801000    -13.62644980
  H     16.10509962      9.30332226    -14.33056516
  O     16.75053423     10.38878289    -10.75306095
  H     16.88095346      7.33290640    -13.97842289
  H     15.70313871     10.82565160    -14.21384505
  O     15.90539174     12.67066634    -14.22993504
  H     17.96472110      8.43679228    -13.91330384
  H     11.73488608      7.53302604    -13.53895931
  O     14.07163168      7.28745586    -17.15658098
  H     16.91821089      9.76766211    -10.03300611
  H     11.02159779      6.21677169    -13.14282599
  O     15.00709804      6.71278304     -8.83936943
  H     15.82751974     10.26965227    -11.01876385
  H     17.94182976      7.30543251    -10.30802788
  O     16.03716832      6.27908955    -12.73728843
  H     16.57211781     12.75283073    -14.92589423
  H     18.62558519      7.63550251    -11.63876208
  O     14.18122041      9.97655667    -11.72927854
  H     16.34805149     12.83555801    -13.38809571
  H     13.31162614      6.10719870    -14.26136105
  O     17.86398069     12.50136642    -16.19106595
  H     14.09867707      6.78073313    -16.32508187
  H     14.83828341      5.91817735    -14.17029225
  O     16.16355589     10.80192967    -17.40253717
  H     13.72080744      6.70250375    -17.82300272
  H     17.19202726     12.00215097    -11.38001360
  O     16.82394834      8.14840976    -17.25569035
  H     14.51764126      6.87240399     -9.66273760
  H     17.56038671     13.48961817    -11.18055331
  O     19.25993109     11.72379469    -13.78403792
  H     14.90528992      5.78310045     -8.64972353
  H     18.04871455      9.65457248    -11.95812187
  O     15.38208472      9.91674759    -14.14724285
  H     16.82006541      6.34439740    -12.17028255
  H     19.09368361     10.10152768    -13.00523280
  O     11.87102377      6.64930078    -13.15122900
  H     15.30027952      6.61961983    -12.21420497
  H     16.38729910      7.79228205     -8.78215693
  O     18.21530346      6.91311086    -11.14466380
  H     13.40010980     10.52876309    -11.84826862
  H     17.59064258      8.36349557     -7.99598939
  O     14.10345907      5.96511535    -14.79415636
  H     14.58037198      9.88184314    -12.61058334
  H     13.18732986     11.68576118    -15.48526485
  O     17.39451916     12.82918639    -11.84852906
  H     17.29456548     11.87830219    -16.67866806
  H     14.09616590     12.62681447    -14.66158855
  O     18.75072838      9.32748799    -12.53561173
  H     18.26228771     13.07214168    -16.84263784
  H     13.91092840      8.24236077    -11.36565965
  O     17.16999504      8.36589904     -8.85212407
  H     15.23017400     10.70959551    -17.19936658
  H     13.09784689      6.99813381    -11.81537822
  O     13.17169982     12.40631740    -14.84427892
  H     16.50353513      9.89351681    -17.43932971
  H     11.29440761     12.06788685    -12.28464601
  O     13.82996976      7.28372709    -11.25525643
  H     15.94437705      7.75519793    -17.30077411
  H     12.36582010     11.89104665    -13.38744550
  O     11.96322941     11.46974832    -12.60625994
  H     17.12391421      8.01789266    -16.34508593
  H     13.65124189      9.02791035    -16.65398706
  O     13.56154872      9.87300398    -16.19337376
  H     18.74152144     12.22936065    -13.14635037
  H     14.20077383      9.84418013    -15.46142400
          69
 Energy    -248.10530683767513     
  O     17.47250941     11.85558833    -16.08371539
  H     17.73949352     12.76539098    -16.18587215
  H     19.51687669      5.22601517    -13.38976416
  O     15.17257977      6.37329395    -13.58404925
  H     16.57592432     11.86976738    -15.70370680
  H     19.67481004      7.97608067    -19.32671087
  O     18.91355315      8.25980948    -12.04807063
  H     15.81624638      6.15494362    -12.89682211
  H     18.58353712      8.54059486    -18.38963493
  O     17.43330083      5.54246479    -18.15893869
  H     15.06643742      5.62218022    -14.18615567
  H     16.36388605      7.99670183    -16.01594828
  O     14.76436707      5.85681701    -18.07179182
  H     18.68994780      8.91082232    -12.72872526
  H     16.35713279      7.21227690    -14.68165372
  O     13.82400909      8.65121752    -13.04717603
  H     19.65105820      7.74856134    -12.40439843
  H     15.20563765     11.48575102    -13.93798229
  O     18.00456642      9.92348243    -14.08755000
  H     18.06487107      6.25689545    -18.29986607
  H     14.36727892     11.12963651    -15.17842158
  O     17.83211031      3.89151357    -15.85411996
  H     17.71722770      5.05956253    -17.37197314
  H     15.49333485      6.69147561     -8.55969382
  O     13.22473823      7.94531713    -10.41994401
  H     14.35812575      5.44716583    -18.83073517
  H     14.74400271      7.33161867     -9.75093841
  O     19.59424958      7.12685780    -15.82262488
  H     15.72823038      5.73583743    -18.16913414
  H     12.23283485      9.75879768    -15.61887683
  O     15.07178111      4.49299621    -15.54286644
  H     14.25346246      7.80489302    -13.25436376
  H     13.31527687      9.25091695    -14.63872576
  O     18.74501737      4.64710409    -13.40286802
  H     14.51824407      9.28595413    -12.81149927
  H     20.42473368      6.86328536    -14.35040438
  O     19.18380532      7.78670908    -18.53212088
  H     17.64272695      9.14581770    -14.54172209
  H     21.71574986      6.61188768    -13.52969934
  O     16.92177958      7.71634033    -15.28005750
  H     18.03157318     10.62950973    -14.74219815
  H     16.62893612      6.32674256    -10.83127279
  O     15.03851861     11.74119200    -14.85543134
  H     18.15441341      3.00229181    -15.98051807
  H     17.71372459      6.88774462    -11.78527754
  O     15.61891269      7.04817898     -9.43531800
  H     18.17750522      4.18507085    -14.99367539
  H     16.59463210      8.67820824     -9.82816046
  O     13.17331849      9.63136170    -15.52226886
  H     12.44369809      8.39640170    -10.10904769
  H     17.81777446      9.08403497    -10.67023477
  O     20.76725433      6.66631909    -13.45766133
  H     13.32631291      8.19807680    -11.35044160
  H     17.50442663     10.53672232    -17.45693454
  O     17.11912580      6.13686180    -11.64034152
  H     19.67235207      7.36641534    -16.75193329
  H     16.55139482      9.41711490    -17.92067288
  O     17.05201994      9.44070284    -10.20107233
  H     18.65275084      7.22370314    -15.61991676
  H     16.57656585     10.30790981    -13.04177423
  O     17.42590077      9.80079571    -18.07478288
  H     14.83648676      4.91754515    -16.37624711
  H     16.13967188     10.23838539    -11.56883076
  O     15.82134092     10.46002931    -12.45497183
  H     15.98771520      4.20204584    -15.64627411
  H     14.37149238      8.85915399    -16.72770143
  O     15.09490893      8.50441673    -17.25867234
  H     18.15273229      4.98927077    -12.72165859
  H     14.84546685      7.62259695    -17.56672231
          69
 Energy    -248.10529369264577     
  O     -0.35339572      6.51534100     20.05088906
  H      0.47059223      6.21393580     19.63081454
  H      1.49514664     11.59906554     21.50742959
  O      5.13255832      9.49270846     19.01271800
  H     -0.91465702      5.74854718     20.13672432
  H      3.90697734     10.49810809     16.49035402
  O      0.44431561      8.43302735     15.67756640
  H      5.20028719      9.96093345     18.17205782
  H      5.14747071     11.39434097     16.76475257
  O      3.72690887     14.31725120     20.80026713
  H      4.22456182      9.15365338     19.04791694
  H     -0.15298963     11.58051800     18.94678144
  O      4.42643972      5.93139959     20.40571904
  H     -0.18251545      8.43821576     14.96010270
  H     -0.67555381     10.94653583     20.24502067
  O     -0.85794037      8.50225402     18.01609414
  H     -0.07461307      8.42989330     16.50488273
  H      1.97425514     13.23261019     18.21832144
  O      3.21204831     14.63944511     18.15319813
  H      4.62662958     13.96771512     20.82766796
  H      1.71463272     11.75774112     17.79121217
  O      3.28744174      8.16094426     21.85949833
  H      3.15634114     13.57777027     21.05081216
  H      5.75435560     12.81336495     18.70610495
  O      2.47902358      8.72713816     19.18847759
  H      4.86471205      5.19411375     20.82325989
  H      4.69592508     13.47480710     17.80989864
  O      2.03538290      5.94609537     18.88218286
  H      4.99683242      6.21452655     19.66887453
  H      4.95422141     10.23859919     20.59869255
  O      0.51648551      8.25607826     22.13505192
  H     -0.77372675      7.84946466     18.71795209
  H      3.85384589     11.05344175     21.35233241
  O      2.28954184     11.89000960     21.04301676
  H     -0.88865622      9.36927145     18.44823706
  H      1.56951238      9.75448976     16.33503449
  O      4.87355326     10.53080627     16.42041360
  H      3.09281255     15.54805229     17.89060301
  H      2.20783104      9.75175473     17.73966028
  O     -0.80805206     10.96013782     19.29001642
  H      3.37438104     14.64143462     19.11401085
  H      0.07881961      9.92051551     22.13948751
  O      1.46568648     12.44116171     18.42965095
  H      3.89133062      8.91078073     21.92570666
  H     -0.67148764     11.09354305     22.81545858
  O      5.41511023     12.83121322     17.80415389
  H      3.76040858      7.42889224     21.44389880
  H      5.69138082      6.99602098     17.42305757
  O      4.71474595     10.61762984     21.46032794
  H      2.49855530      8.73829083     20.15199704
  H      5.84026359      7.83338651     18.68355384
  O      2.16399416     10.25164722     16.90915081
  H      2.27344546      7.81656346     18.94262591
  H      5.74790328     12.06165841     21.03188799
  O     -0.10193265     10.87618059     22.08275350
  H      2.25166596      6.04089862     17.94026137
  H      7.02948628     12.92109988     21.03320303
  O      5.89687640      6.92175286     18.36102201
  H      2.85110131      5.80442371     19.37726479
  H      5.56026486      7.74160307     14.90203325
  O      6.16509573     12.84387204     20.63661368
  H      0.18841104      7.65036290     21.45934129
  H      5.08764794      8.80160764     15.91547952
  O      5.09550391      7.84858947     15.72891051
  H      1.47211749      8.12347756     22.19695067
  H      3.39319080      7.05462031     16.06786503
  O      2.56222013      6.63782288     16.32384542
  H      2.03347245     12.01870925     20.11835641
  H      1.85162661      7.20990526     16.00665643
          69
 Energy    -248.10529013166422     
  O     10.73593779     10.18205427    -12.18756370
  H     10.35534961      9.80386049    -12.99032173
  H     16.97594721      7.29859843    -17.05997515
  O     13.88445041      7.04587207    -15.16751956
  H     11.52126885     10.66671275    -12.47215152
  H     15.16458371     13.60207145    -14.85408227
  O     17.48006882     10.06809445    -11.33690172
  H     13.56188568      6.43097736    -14.49839744
  H     15.91064958     12.38360372    -14.26221305
  O     17.41119129      9.80607927    -15.68904685
  H     14.63016348      7.50247676    -14.74695126
  H     16.56212139      7.47216256    -13.79115574
  O     12.49070985      9.39206921    -15.45825680
  H     16.51732508      9.97414802    -11.37844913
  H     16.44320629      8.86990636    -14.44366774
  O     16.06631813      6.12325113    -10.37613996
  H     17.76942921      9.42174643    -10.68230818
  H     10.25598345      8.16006719     -9.78604813
  O     13.32688824      5.54205037    -12.89824398
  H     16.58246255     10.04075060    -16.13289310
  H     10.82460820      8.86829817    -11.03922595
  O     14.77554453      9.54133260    -11.81635731
  H     17.74394518      9.00016953    -16.10141236
  H     18.94871774      7.57842904    -11.52390646
  O     15.97498075      4.47054142    -12.75226831
  H     11.55323294      9.24325540    -15.28509044
  H     18.56999659      8.68854594    -12.47245083
  O     17.38124148     11.71325841    -13.62855653
  H     12.91679937      8.52763574    -15.35770465
  H     11.48122492      6.06544315    -13.02340171
  O     15.32397924      7.73432047    -17.46619781
  H     16.07416169      5.50053767    -11.11101569
  H     10.65576490      6.96127637    -12.08111509
  O     17.88515607      7.18076359    -16.73096462
  H     15.17636603      6.50019663    -10.35739950
  H     17.86814492      6.35027835    -15.02155355
  O     15.08995098     12.66290781    -14.70701990
  H     14.15051978      5.04021982    -12.89435360
  H     18.33692274      6.61730844    -13.55056805
  O     15.98233108      8.23853171    -13.87654324
  H     13.39862021      6.16736923    -12.16090503
  H     18.45763944      7.54353076     -8.87701245
  O     10.86212944      8.04900741    -10.51332253
  H     14.18048178     10.16932837    -12.24463179
  H     17.41130620      7.14611191     -9.94241116
  O     19.00622566      7.82927007    -12.45538207
  H     15.20772518      9.04628490    -12.53147571
  H     14.91864835     11.32732752    -16.07325662
  O     10.66964791      6.58416362    -12.97040881
  H     16.62178547      4.96902170    -13.27908412
  H     13.96365678     10.15279469    -16.30771069
  O     17.74973269      6.07559248    -14.10389728
  H     16.25932242      3.55949164    -12.76497341
  H     12.64986914      7.53751660    -10.52443437
  O     18.17548694      7.72449817     -9.76899933
  H     17.51045144     11.24995364    -12.79097221
  H     13.97056883      8.14802467    -11.06120787
  O     14.82708179     10.50283104    -16.56923284
  H     17.61887331     11.09211515    -14.33018136
  H     12.89924771     10.52618313    -14.08200107
  O     13.56206116      7.32448155    -10.75316399
  H     14.73914901      7.33281665    -16.80769187
  H     13.72466167     11.78964465    -13.75137052
  O     13.11510276     11.14659793    -13.36981319
  H     15.13408344      8.67837535    -17.43626281
  H      9.08742775      8.54644839    -14.90668292
  O      9.94488620      8.70109511    -14.51979063
  H     18.41816129      6.92421730    -17.47928758
  H     10.18459657      7.89108771    -14.03404779
          69
 Energy    -248.10486206625814     
  O     14.31087897      9.45687880    -10.44428459
  H     13.94545399     10.01946380    -11.14075515
  H     12.37246650      6.99084114    -10.45920783
  O     12.88676157     10.05751168    -16.33274098
  H     15.00358381      9.94132356     -9.97885994
  H     19.73345170      7.97346010    -15.51879242
  O     15.96665854     10.87221258    -13.82704349
  H     13.12610095     10.89562016    -15.91823324
  H     18.22662661      8.22872160    -15.27422777
  O     13.62383942      4.94300458    -13.01898988
  H     12.66257244      9.45052798    -15.61668369
  H     14.76907609     11.99726864    -14.68840798
  O     17.05625169      7.85334180     -8.55538739
  H     16.63253366     11.00037053    -13.13502360
  H     14.04668979     13.27787747    -15.16127704
  O     15.84176079      7.58236785    -11.86858020
  H     15.15373699     10.62212683    -13.36927541
  H     13.50132617      7.83507904    -14.26900490
  O     13.36619610     10.64497965    -12.72388296
  H     14.23133639      4.82263543    -12.27303387
  H     12.19661361      7.77206004    -13.44046718
  O     18.50487893      8.28839065    -12.18538924
  H     14.11866118      5.42684554    -13.68908953
  H     14.79391083      9.04109918    -18.71116997
  O     17.70330629     10.93035281    -11.72198418
  H     16.34251537      7.21257586     -8.45236111
  H     14.23107765      9.57157526    -17.38001885
  O     17.69235597      5.40455666    -14.08512919
  H     17.78665477      7.39528605     -8.98829530
  H     10.76509446      6.07330556    -12.20537843
  O     18.03507177      4.50816519    -11.44164339
  H     15.71224269      6.70362293    -11.48464596
  H     12.27944383      5.88010440    -12.46288605
  O     12.84309286      7.25242262     -9.66047306
  H     15.31852172      8.21067450    -11.35657259
  H     14.08684438      6.43322152     -8.77339871
  O     19.02134287      7.80198164    -14.90858925
  H     13.26322018     11.37679000    -13.34126246
  H     14.56061550      5.59298470     -7.56211628
  O     13.90405629     12.36118854    -14.93973799
  H     13.05468123      9.84459007    -13.17461229
  H     16.34146594      4.69169836    -11.03451416
  O     12.69638189      8.32513960    -14.05457663
  H     17.57246061      8.03006465    -12.10618102
  H     15.27466495      5.17126827     -9.98374619
  O     15.05160953      9.31985318    -17.83691764
  H     18.77346126      8.12840371    -13.09781254
  H     19.08309956      7.33500549    -10.81513137
  O     11.60549429      6.52357951    -12.17577566
  H     17.35099938     10.88787973    -10.82515846
  H     20.15034533      6.82592112     -9.81742117
  O     14.86378134      6.00932764     -8.36447665
  H     18.13419539     10.07645409    -11.86639144
  H     15.64056080      7.56294754    -14.99838540
  O     15.42656110      4.99318204    -10.91865843
  H     16.79859394      5.69226293    -14.29405113
  H     15.38776936      7.19466776    -13.51462698
  O     19.22943922      6.74696422    -10.05421770
  H     18.26321934      6.10443142    -14.42453000
  H     16.77912724      9.53072239     -8.89412251
  O     15.15630584      6.95266208    -14.42756903
  H     18.01454430      4.76631859    -12.37548619
  H     16.67023247     10.97078992     -8.33907174
  O     16.56567345     10.45192081     -9.13205317
  H     18.53215248      5.18664390    -10.97117414
  H     16.19312675      9.08621807    -16.51812407
  O     16.67920743      8.93579915    -15.69402301
  H     13.26743040      8.09826152     -9.86695867
  H     16.45994081      9.65011099    -15.07907486
          69
 Energy    -248.10482249132662     
  O     -1.96933876      1.23230796      3.93671018
  H     -2.47694588      0.80745529      4.62319533
  H      3.07584270      4.43193734      1.66447626
  O     -3.81261047      1.43308858     -2.43391276
  H     -2.23560463      2.17024727      3.92880459
  H     -1.57877438      6.72100901      0.68520282
  O     -2.47842237      3.31499500     -4.13938923
  H     -3.85078830      1.87398268     -1.57557490
  H     -2.21525875      5.88444084     -0.45338018
  O     -4.22642812      4.95436243      1.72231216
  H     -3.51823320      2.10465703     -3.06217634
  H     -0.90136260      4.39389669     -1.56764463
  O     -0.33238777     -0.24871669     -0.73552106
  H     -2.66573780      3.65268952     -5.01103960
  H     -2.07729287      4.24213350     -2.57497748
  O      1.35174153      1.42538614     -2.20816033
  H     -1.77025148      2.65391429     -4.23919170
  H      1.57788736      3.08551001      4.76980274
  O      0.04374898      7.13340815      1.57574658
  H     -5.04129252      5.44205690      1.80496151
  H      2.34595399      4.08278181      5.66893531
  O      0.88277769      1.51356474      4.45433717
  H     -3.59461996      5.53823352      1.26268189
  H      0.86310340      2.38187890      1.55131181
  O     -2.14256124     -0.66309632     -2.83167263
  H     -0.87394462      0.12054466     -0.02312905
  H     -0.65084659      2.30888913      1.23883537
  O      2.21564335      1.29405732      2.01569839
  H     -0.93985056     -0.52417182     -1.43371624
  H     -2.85001797      3.45468310     -0.60390656
  O      2.40315686     -0.47252236     -0.18658264
  H      2.14972864      1.01113763     -1.87230304
  H     -3.85320740      3.52160203      0.56936748
  O      3.37426853      3.73029161      2.26146466
  H      0.64062903      0.98315232     -1.71763365
  H     -1.77118869      4.32181112      3.66107699
  O     -2.41958809      6.40075957      0.33809370
  H      0.17329163      7.93643504      2.07479835
  H     -3.21846011      4.22475014      3.13155857
  O     -1.85179416      4.53813830     -1.68528033
  H     -0.01566986      6.40785928      2.22187645
  H     -2.01012036      0.95802113      2.11623085
  O      1.94954890      3.98586325      4.80771001
  H      1.35410269      1.26134272      3.64668498
  H     -2.55061352      1.59724385      0.78389212
  O      0.09680852      2.91478692      1.29421850
  H     -0.05507827      1.37514141      4.28303795
  H     -0.02630139      4.25447555      2.48378816
  O     -3.44216197      2.91540348     -0.05799023
  H     -2.62621162     -1.41291905     -3.16729847
  H      0.59945188      4.73090340      3.82003369
  O     -2.60454399      3.84395392      3.77054147
  H     -2.79704640      0.03679196     -2.65324559
  H      1.90777332      5.15999756     -0.21834097
  O     -1.90675552      0.97643365      1.15588279
  H      2.44400125      0.71528337      1.28124850
  H      1.62481020      6.25833176      0.81083283
  O     -0.09122815      4.93170686      3.17577355
  H      2.80051123      2.07045324      2.01723994
  H      0.54880558      3.64067554     -0.25884015
  O      2.30940396      5.65038643      0.51072215
  H      2.74194239     -1.36411603     -0.21837056
  H      1.08615858      3.17623709     -1.63025424
  O      0.77867503      3.95361457     -1.14919884
  H      1.44352761     -0.53960321     -0.32350198
  H      0.18456357      1.41430815     -3.71169722
  O     -0.62199622      1.33060739     -4.23548159
  H      3.02369278      3.94396436      3.13328522
  H     -1.08319216      0.55731573     -3.88659493
          69
 Energy    -248.10477182091188     
  O     12.87998042     12.22015606    -14.44261899
  H     13.75956305     12.57474430    -14.27923912
  H     13.51214868      7.08249100    -16.82917541
  O     15.02659003      6.92933854    -14.09274296
  H     12.93095120     11.73091016    -15.27701790
  H     17.88438122     11.22232817    -15.35213951
  O     17.28630132      8.97708653    -11.24653202
  H     15.88983843      6.74231593    -13.70558119
  H     16.62050369     12.09212533    -15.05291191
  O     19.46905023     10.48164686    -14.76906222
  H     15.05776901      7.85636432    -14.37779707
  H     15.88660733     10.04382663    -15.16524195
  O     11.87729432      8.04332278    -16.64895349
  H     16.76618030      8.60101842    -10.52214867
  H     14.37239734      9.82740086    -15.34677937
  O     15.36757663      8.05930200     -9.50328458
  H     16.70063667      9.62214971    -11.66737796
  H     11.96974631     11.32879444    -13.25874553
  O     13.09980517      6.87248865    -12.15600996
  H     20.33662413     10.69955891    -15.10105797
  H     10.65627975     11.26619140    -12.44795307
  O     15.33321258     10.62970307    -12.30874412
  H     19.55739296     10.37057381    -13.80701909
  H     17.09529603      5.29749070    -12.05855304
  O     16.65925581      7.85181943    -17.67686393
  H     11.06945955      7.76222709    -17.07036863
  H     17.04299932      3.76507337    -11.96414906
  O     14.49662661      5.39885149    -10.18039143
  H     11.69380494      8.08511506    -15.69264254
  H     11.38577537      9.11581893    -13.56007706
  O     18.31294172      7.89296957    -15.32346334
  H     14.61639535      8.59555929     -9.78660344
  H     11.88285367      7.67170896    -13.34619914
  O     14.38100882      6.66588055    -16.78859841
  H     15.09691711      7.14272272     -9.63611931
  H     20.29898925     10.10606812    -11.37102537
  O     17.00544881     11.46020083    -15.67359334
  H     13.42540851      6.28570390    -11.46409017
  H     18.85712520      9.69274995    -11.69941301
  O     15.12812594      9.56589177    -14.80565113
  H     13.76597182      6.85011748    -12.86154485
  H     17.51299966      7.51473957    -12.34821141
  O     11.45987063     10.78631852    -12.63120258
  H     14.62571205     10.28519556    -11.74805744
  H     17.91864044      7.08799101    -13.79258879
  O     16.69333004      4.56027427    -11.57032644
  H     15.20858936     10.22401438    -13.18154406
  H     15.98326444      9.60955763    -17.94798131
  O     11.44941471      8.25229533    -13.98467800
  H     16.98302056      7.35706958    -18.42592484
  H     16.16718051     10.99356752    -17.31115446
  O     19.65216065     10.10691118    -12.07196176
  H     15.83634086      7.41456281    -17.39438709
  H     12.57400568      9.92584457    -11.38918206
  O     17.57199516      6.75962340    -12.94885909
  H     15.27224546      5.05783885    -10.65850341
  H     13.19678399      8.51393654    -11.36093571
  O     15.62614843     10.50694376    -17.94762659
  H     14.25989294      4.73831546     -9.53440618
  H     15.55096043     12.21617978    -13.07201107
  O     13.25786538      9.39481889    -10.96109395
  H     18.73292485      8.75620940    -15.24191534
  H     15.81107611     13.73761990    -13.17401802
  O     15.61904695     12.96143232    -13.69425151
  H     17.77429107      7.91338873    -16.12377924
  H     12.71129499      9.71151727    -16.77791720
  O     13.21604485     10.51688828    -16.61187852
  H     14.57395288      6.55337372    -15.84714548
  H     13.97224097     10.53873953    -17.21890279
          69
 Energy    -248.10475482092386     
  O     15.31189562      9.81509408    -15.43379521
  H     14.72528665      9.11143698    -15.69526514
  H     17.50967844     11.80958413    -16.44499492
  O     18.91794687     14.98830871    -16.41223268
  H     15.57899902      9.63331167    -14.51302160
  H     17.72704690     10.58184043     -8.30085631
  O     19.26058324     13.28196680    -10.02646283
  H     19.72394715     14.61594827    -16.79094741
  H     18.36018687     10.54543872     -9.71168551
  O     15.26393258     13.54949340    -12.34969473
  H     19.13401370     15.25544825    -15.50933518
  H     21.01327768     16.36791664    -10.95207139
  O     19.49377837      9.88472995    -10.89356274
  H     18.81198875     13.44759845    -10.86776160
  H     20.97829346     17.80787624    -11.51795635
  O     15.46575485     11.11907005    -10.82240733
  H     18.73540340     12.61689471     -9.56492658
  H     20.75176117     12.34759018    -10.62010869
  O     20.62409163     11.17016297    -16.47059860
  H     15.10173052     13.20574898    -13.24717484
  H     22.29307661     12.36506430    -10.66576602
  O     21.96555464     14.12002265    -14.64019029
  H     14.60515104     14.21932534    -12.18776268
  H     17.14284816      9.94817805    -13.05530569
  O     21.14603708     15.28431236     -9.59910229
  H     20.33298741     10.36014946    -10.82202627
  H     15.88521257     10.00539968    -12.17567594
  O     21.35247108     11.58558736    -13.68689265
  H     19.18412878     10.04933928    -11.79045292
  H     21.75961305     13.63556562    -18.14714345
  O     14.97347762     12.61028147    -14.86284045
  H     16.19548915     11.18726035    -10.19517268
  H     21.04703323     12.74194467    -17.10234585
  O     17.79829547     10.93817311    -16.14060487
  H     15.36772140     11.98536967    -11.23565033
  H     22.63833745     15.96605859    -12.30230055
  O     17.78844299     11.06663998     -9.12010888
  H     20.95367136     11.08255094    -15.56816316
  H     23.01824275     14.86797877    -13.30870047
  O     21.00838092     16.89013507    -11.77450181
  H     19.68226396     10.95776373    -16.44401267
  H     20.04529058     15.97576552    -13.06902422
  O     21.52236960     11.83954349    -10.91263407
  H     21.16013695     14.56161632    -14.32911790
  H     19.07541398     14.76875625    -13.27912226
  O     16.26661049      9.56231928    -12.94781612
  H     21.89097600     14.04910349    -15.59887869
  H     23.50648863     14.27844029    -11.09895204
  O     21.27467007     13.66225333    -17.32704814
  H     21.96606619     14.77984096     -9.65943169
  H     24.37264396     13.74757551     -9.93152533
  O     23.31156295     15.30275520    -12.49649426
  H     20.42983077     14.63375013     -9.61862624
  H     19.64321863     11.18230112    -13.56963305
  O     19.67195356     15.38158360    -13.73214497
  H     21.52824119     11.59700645    -12.73631474
  H     18.35913555     10.97312638    -14.41560503
  O     23.48839276     13.73961908    -10.28730242
  H     21.61881649     12.45531814    -14.01708181
  H     16.43748273     13.69303736    -17.74680827
  O     18.69641478     10.98304046    -13.50871688
  H     14.95968286     11.66405018    -15.04977241
  H     17.51601876     14.04941882    -16.69943960
  O     16.77530716     13.44684513    -16.88949009
  H     15.54279920     13.00254970    -15.53666529
  H     17.07459080     13.61482947    -12.42766502
  O     18.03370968     13.52001353    -12.49539538
  H     16.99234678     10.41699140    -16.03102532
  H     18.20996808     12.63844656    -12.84994649
          69
 Energy    -248.10466733526130     
  O     13.25434317     11.37102269    -15.25482590
  H     13.55900963     11.48580998    -14.34525501
  H     14.49562605      6.86375856    -10.66336444
  O     14.08430326      5.76913487    -16.65055690
  H     13.97269451     10.92013573    -15.72013833
  H     13.89486519      9.40618556    -13.20798174
  O     13.15525178      6.50991915    -11.82867756
  H     13.69577705      4.97951883    -16.25247831
  H     14.87303265      8.39794521    -13.85110535
  O     16.65951746      4.79056030    -10.98363913
  H     13.47264990      6.48887029    -16.44524541
  H     15.88693113      9.42579546    -15.77483988
  O     13.11025529      3.62939426    -14.96377878
  H     13.40455470      7.24832379    -12.40757678
  H     15.18744505      9.26631151    -17.12803861
  O     10.87555519     10.10484288    -15.24937019
  H     12.19314681      6.47772241    -11.81238255
  H      9.62592690      6.10873587    -11.78431198
  O     14.57540391      9.66537921     -9.34739410
  H     17.52593381      5.12320135    -11.24181175
  H     10.50890433      6.13160747    -13.05720109
  O     19.08993487      6.10044858    -11.90098730
  H     16.23012385      5.51888989    -10.51320730
  H     10.72912418      9.59396799    -13.40779295
  O     12.33252883      7.73467426    -15.61711000
  H     13.70389028      3.84212827    -14.22440777
  H     10.54174221      8.42182743    -12.40668009
  O     18.92564790      5.21964990    -14.47451935
  H     13.13765411      2.68193479    -15.07122267
  H     14.11447250      5.18189213    -12.57485709
  O     16.26145523      5.64446377    -15.00483844
  H     10.22675119     10.61434666    -15.72660341
  H     15.43930267      4.44511516    -12.26768847
  O     15.28656203      7.13526599    -10.17662071
  H     11.70895074     10.61087272    -15.28148811
  H     11.39170224      6.27187534    -15.01606246
  O     13.97784342      8.49085533    -13.50125799
  H     13.71606397      9.93889673     -9.69186951
  H     11.60851886      4.77688816    -14.70710793
  O     15.34813716      9.89635712    -16.42743157
  H     15.22904646     10.18366351     -9.83156341
  H     11.57940047     11.23473677    -10.11391125
  O     10.36266999      6.55552714    -12.19162914
  H     19.94149495      5.88430344    -11.52968295
  H     11.62630274     10.16948267    -11.23182861
  O     10.73140446      9.36561453    -12.47073354
  H     19.09462584      5.78174237    -12.82007585
  H     16.55452895      7.39489818    -14.68436461
  O     14.74374341      4.53946808    -12.93434191
  H     11.72617253      8.47995157    -15.69778803
  H     16.92477963      8.37320180    -13.53716838
  O     10.98797445      5.50452944    -14.58581400
  H     12.93264529      7.98352823    -14.89871359
  H     14.93945901     11.13765293    -12.16004829
  O     12.17265192     10.66139851    -10.59245034
  H     17.99824865      5.30363823    -14.74935778
  H     13.41217913     11.12043731    -11.87659791
  O     16.58081868      8.33091918    -14.43875104
  H     19.41836273      5.02005309    -15.26622712
  H     17.23992461     11.42696252    -11.02739779
  O     14.07174227     11.15839792    -12.58214830
  H     15.60541479      5.71107505    -15.71379209
  H     16.88402296      9.96635879    -11.38208560
  O     16.50522862     10.83647006    -11.17491238
  H     15.79605254      5.27064204    -14.24392975
  H     18.01751218      7.60827088    -11.75442464
  O     17.30252981      8.25627170    -11.73389064
  H     15.04836816      7.95717188     -9.72444861
  H     16.57828141      7.85145239    -11.23218821
          69
 Energy    -248.10459059609730     
  O     -0.78778800      1.94053151     -5.69295007
  H     -1.09842258      2.00459297     -6.59180587
  H      0.45238927      0.93241991     -2.83901035
  O     -1.75744413      4.51538832      0.09898346
  H     -1.50165864      2.28466721     -5.12299312
  H      2.91803488     -1.04262404     -2.72864627
  O      3.41454698      1.88126169     -4.12631689
  H     -1.89187930      3.57736598      0.28328061
  H      3.42113135     -0.16921576     -1.57523713
  O      0.38691239     -1.22185568     -0.56093582
  H     -1.94653664      4.98580979      0.92353442
  H      0.59865734      3.04770505     -4.96550451
  O      0.93618355      5.14239498      2.70863098
  H      3.80165652      1.83866028     -3.24302152
  H      2.04012206      2.95874578     -4.35414705
  O      0.19572018      2.48989988      3.60189657
  H      3.29877878      0.96373436     -4.40248461
  H      1.16943452      4.96489433     -3.40632381
  O      0.45042066      0.85574117      1.39981841
  H      1.28133301     -1.18491027     -0.93146858
  H      1.38386685      6.48914811     -3.28655982
  O      1.96163224      2.45733232     -0.31547479
  H      0.37895455     -0.63524235      0.20392541
  H     -1.90443687      4.95357355     -1.69855320
  O     -2.64594271      2.85971091     -4.00839418
  H      1.03792103      5.17467859      1.74418702
  H     -0.88251103      5.42381015     -2.74628873
  O      2.79633454     -0.85841948     -4.63268194
  H      1.58938686      5.73675783      3.07077075
  H     -2.57942188      2.38740734      2.45370981
  O     -1.52045250     -1.55022925     -2.40727982
  H     -0.76079911      2.57727592      3.69784966
  H     -3.39650818      2.33201706      3.76367747
  O      0.31134807      1.75689227     -2.35851350
  H      0.51538490      3.36701648      3.35756152
  H     -0.01043892      4.83481513     -0.03038912
  O      2.86470620     -0.93150598     -1.77219060
  H      1.06862812      1.36802625      0.86121571
  H      1.10336014      5.36341859     -0.96313364
  O      1.22066470      3.48096818     -4.36916710
  H      0.43507461      1.28859460      2.26619453
  H      5.04617948      1.71646078     -0.88252653
  O      1.06888378      5.72544874     -2.80891697
  H      1.38075186      2.13422100     -1.02344707
  H      3.51438170      1.92576086     -0.94368436
  O     -1.78068803      5.09296401     -2.64771557
  H      1.70456763      3.37343468     -0.15353899
  H     -0.26696038      0.37080777     -4.81112627
  O     -2.65448390      2.76294213      3.34735005
  H     -2.40632069      3.70274133     -3.59360099
  H     -0.51371089     -0.80312560     -3.78659523
  O      0.93977019      5.02914015     -0.07294593
  H     -2.78856775      2.23904762     -3.28406364
  H     -2.27055867      0.13328989     -2.01569860
  O      4.27520710      1.54808471     -1.41776904
  H      2.96092280     -1.51559307     -5.30340146
  H     -1.45166503      1.43512292     -1.95866209
  O      0.15405629     -0.33938132     -4.30826446
  H      1.83147799     -0.73812729     -4.58436224
  H     -2.36805777      1.49728748     -0.05618388
  O     -2.34451548      1.07723029     -1.82901470
  H     -1.92156512     -2.41009973     -2.32152289
  H     -1.22561684      1.44469540      0.99605399
  O     -2.10191460      1.81576912      0.81597955
  H     -0.84605290     -1.47997977     -1.70337235
  H     -2.27318538      4.61764289      3.03973833
  O     -1.94708489      5.45382740      2.68113785
  H      0.52685073      2.46422771     -2.97996501
  H     -0.99424992      5.45127504      2.83505730
          69
 Energy    -248.10430067028886     
  O     14.83679247     10.15589077     -9.42140598
  H     15.26087874     11.01254356     -9.26656634
  H     10.34214512      8.89074692    -10.49739806
  O     17.45789682     12.47013105    -12.99129335
  H     15.46885451      9.63875378     -9.93743629
  H     11.24177806      6.79449340    -10.25154340
  O     11.74924998     11.44937250    -14.71364615
  H     16.88531362     13.12285339    -12.56958825
  H     10.33162942      6.76459429     -9.00222785
  O      9.70078150      9.70690464    -13.72378630
  H     17.84723332     11.95854654    -12.27127622
  H     14.73774675     13.53057127    -12.18475060
  O     13.73897255     12.36867531    -13.10133645
  H     12.30907232     10.94231672    -15.31419606
  H     15.16956064     14.95367912    -11.76903190
  O     15.73905139     10.93799131    -14.46720978
  H     11.04164011     10.86191897    -14.42350400
  H     13.99437571     10.53416764    -17.15653656
  O     16.27375841     12.48612205     -9.44873240
  H      8.78588104      9.92482838    -13.88166345
  H     14.53866059     10.49283329    -15.71351009
  O     16.80099253      8.64957568    -10.83845169
  H      9.82390552      9.69881365    -12.75695559
  H     14.97816696      6.69632495     -9.40959037
  O     14.67459596      5.13677533    -12.21259848
  H     14.45125855     11.86636805    -13.52055961
  H     16.10313003      5.67863584     -9.11142255
  O     18.34256453     10.94175006    -10.73354567
  H     12.95015330     12.20473162    -13.64001093
  H     11.58821657      6.31759622    -12.50250706
  O     13.27984893      8.55412300    -12.48172716
  H     15.85210709     10.04650078    -14.10628858
  H     12.71869645      6.91915227    -11.68255412
  O     10.21275678      9.65767315    -11.06563698
  H     16.43338183     11.49112243    -14.08099764
  H     15.87258399      5.30953769    -15.14883579
  O     10.91361478      7.32737463     -9.50759818
  H     15.95745338     13.08437295    -10.13730111
  H     15.14020226      5.63240809    -13.82568013
  O     15.41593504     14.03438562    -11.70422593
  H     17.06826050     12.07012781     -9.80651663
  H     13.92901020      6.95452351    -15.52072932
  O     13.81969525     10.18003931    -16.28724985
  H     16.58822297      7.79899301    -10.43578127
  H     13.44151054      8.34061771    -16.02135976
  O     15.75234719      6.24548004     -9.79384729
  H     16.53909980      8.58063230    -11.76881420
  H     11.75564419      7.32464814    -14.75474049
  O     12.10292142      6.16917331    -11.69461107
  H     15.11789889      5.46330951    -11.42014159
  H     10.57408133      8.08792818    -14.04771362
  O     15.40176947      5.99956953    -14.68940415
  H     13.72990703      5.24653945    -12.04541568
  H     12.73303502      7.65162605     -8.92151236
  O     13.15549947      7.43791478    -15.83380222
  H     17.87189753     10.09233099    -10.74380275
  H     13.96317103      8.59940182     -8.85651422
  O     11.15828193      7.32260330    -13.99028611
  H     19.23175266     10.75757521    -10.44044461
  H     14.89987446      8.47475406    -13.05856053
  O     13.68723075      7.67459740     -8.79547701
  H     12.55568732      8.28304242    -13.06035984
  H     15.86522962      7.61622519    -13.91003110
  O     15.81502303      8.42283466    -13.38487181
  H     12.99845439      9.33578383    -11.99100790
  H     13.04149987     11.46010597    -11.68083078
  O     12.69662262     10.85425814    -11.01196039
  H     11.00666677     10.20180495    -10.95551051
  H     13.41261032     10.67322835    -10.38736067
          69
 Energy    -248.10419289100503     
  O     15.75275277     11.85205034    -15.70760901
  H     16.71086629     11.84009054    -15.59136489
  H     16.63691375      8.52041611    -17.06113555
  O     12.35987070      6.95736608    -13.87913295
  H     15.57173853     11.46530396    -16.57235957
  H     14.99413561      8.76033341    -15.33213888
  O     18.86593534      7.16568716    -13.24175807
  H     11.49069924      6.59723672    -13.72689752
  H     16.46189025      8.86448972    -14.80658378
  O     18.07818853      5.90121905    -17.54137969
  H     12.67185692      6.59414678    -14.72917541
  H     14.73204848     11.75140301    -14.30606879
  O     16.72759861      8.95201087     -9.55243681
  H     18.12668234      6.54514191    -13.28450116
  H     13.70311006     12.46702620    -13.39853601
  O     14.57957613      7.10566419    -12.18270874
  H     19.07275169      7.24784494    -12.29904743
  H     17.51232234      3.99587166     -9.76449906
  O     17.59680695      9.57628759    -13.57629780
  H     17.37244531      5.70337603    -16.90251328
  H     16.66375475      5.27488331     -9.96822423
  O     16.09164602      5.68683271    -15.66345195
  H     18.22378197      5.10470892    -18.04541102
  H     13.39143380     10.14756519    -14.39151078
  O     15.39390886      6.42561439     -9.57917401
  H     16.82637963      9.67007324     -8.93178880
  H     12.84149389      8.67629208    -14.45406281
  O     19.40432572      9.75551646    -16.91860353
  H     16.26576225      9.31507999    -10.32537408
  H     19.43618269      6.73627484    -16.37725287
  O     13.33369872      6.13483176    -16.25795009
  H     13.78193285      7.02394045    -12.71958304
  H     19.71380192      7.17709826    -14.92092420
  O     17.06276771      8.52288044    -17.93429578
  H     14.81975123      8.04068983    -12.14312719
  H     15.92486476      6.00840368    -12.72812057
  O     15.88863017      8.41603764    -15.44044641
  H     18.05271589     10.27427595    -14.06091497
  H     16.96699794      5.02780732    -12.14407919
  O     14.14282079     11.63264126    -13.53752528
  H     18.16980196      8.80041893    -13.49710513
  H     18.52020092      6.36221782    -10.35409781
  O     17.41678528      4.76563392    -10.31848589
  H     15.99162343      6.64874332    -15.57256094
  H     18.24296007      7.86127348    -10.14898553
  O     13.25434247      9.38469201    -14.96386184
  H     16.29360454      5.36366496    -14.77577599
  H     15.99608986      9.88407429    -18.32722645
  O     20.00631452      7.29282067    -15.83439500
  H     14.94229378      6.57169567    -10.42217228
  H     15.39685966     11.04862611    -19.14420800
  O     16.65597570      5.41943665    -12.96889436
  H     15.81367171      7.27067127     -9.37415453
  H     14.95680473     10.45560388    -12.30732433
  O     18.89615939      7.24091635    -10.49315448
  H     18.64196534      9.44301702    -17.41994365
  H     16.30036557      9.71184846    -12.44422215
  O     15.33859672     10.59998212    -18.30373935
  H     19.77361375      8.95767168    -16.51083660
  H     18.92572454     10.99302573    -15.86838111
  O     15.49651268      9.76846300    -11.90093091
  H     14.24126184      5.81748082    -16.18206782
  H     19.21259549     12.30861959    -15.10238322
  O     18.56277615     11.62100659    -15.21554225
  H     13.34145975      6.87935378    -16.87716994
  H     13.09454161      8.97212958    -16.75818505
  O     13.27896626      8.59950100    -17.63270944
  H     17.43697436      7.64075211    -18.03840194
  H     13.89819127      9.22157843    -18.02652930
          69
 Energy    -248.10405989570378     
  O     11.53637445      9.77567857    -16.28785360
  H     11.47252077     10.36681731    -15.52409173
  H     18.97250406      8.28488372    -15.76064158
  O     14.38982369      6.52783239    -12.47473755
  H     12.26096915      9.16606915    -16.10112206
  H     16.63070526     10.55809122    -10.17982914
  O     16.41358432     11.41533204    -14.02458717
  H     15.03467535      6.63947344    -13.19006846
  H     17.26769204      9.28753375     -9.57373336
  O     12.42249710     11.56271201    -18.13299142
  H     13.78428002      5.85258983    -12.77205243
  H     17.17367206     11.89150953    -16.90497019
  O     14.01367834     10.23062879    -13.54200580
  H     15.53119881     11.05910910    -13.83492037
  H     15.74952686     11.34858891    -17.14201323
  O     13.88891115     14.51714460    -13.47728303
  H     16.42175064     11.66039857    -14.95766483
  H     11.68788513     12.26509368    -13.50275601
  O     14.17908003      8.91536765    -11.10468359
  H     11.79243635     11.74322901    -18.82518729
  H     12.45038182     12.26872477    -14.86326762
  O     17.33186675      8.92578256    -18.38011229
  H     12.01053309     10.91003646    -17.53811124
  H     16.12373587     12.74730596    -10.72026542
  O     13.32071012     11.51265927    -10.32511120
  H     13.20775998     10.74793284    -13.66224507
  H     16.31068923     12.85893158     -9.18788795
  O     17.96933515      6.91067922    -16.68148055
  H     13.99097699      9.79669288    -12.68029332
  H     14.58487987     12.88276590    -16.18348507
  O     16.22122929      7.14990951    -14.49524775
  H     13.16387879     14.14143059    -12.96291133
  H     13.19176331     12.73061422    -16.80824322
  O     19.28037185      9.09797998    -15.34184423
  H     13.78445601     14.18919113    -14.37751752
  H     17.23657288      9.98509184    -13.45197333
  O     16.83200295      9.62408733    -10.35373695
  H     14.17075229      8.03200602    -11.50219487
  H     17.45894443      9.22094662    -12.13239383
  O     16.24377242     12.05570800    -16.70162801
  H     15.08487294      9.07303546    -10.80906025
  H     15.40856907     13.98096214    -12.60908197
  O     11.84913205     11.75252533    -14.30532672
  H     17.88180080      9.67750272    -18.12819198
  H     16.39110949     12.82738755    -12.86589043
  O     16.06941264     12.25094073     -9.88122323
  H     16.42174862      9.25164613    -18.37660594
  H     14.00897364     10.51531162    -18.17885046
  O     13.64993073     13.06954610    -16.02804630
  H     13.42068850     10.56674401    -10.48896342
  H     14.53985342      9.46124913    -17.16796053
  O     17.58683794      9.15720354    -13.08396876
  H     14.20708782     11.83024181    -10.11476948
  H     12.36142699     12.58232023    -11.32873612
  O     16.15735798     13.50816460    -12.22050616
  H     18.35839874      6.18728919    -17.16548038
  H     11.20017033     13.60197432    -11.37366148
  O     14.79249690     10.01592247    -17.92218961
  H     17.70417016      7.57781366    -17.34014326
  H     19.66599504     11.46344402    -17.42851334
  O     11.85492316     13.17044474    -11.91607704
  H     16.67930062      7.83389144    -13.98451779
  H     19.03650062     10.42645148    -16.47065273
  O     18.83554038     11.07100416    -17.17240729
  H     16.80149423      6.93012878    -15.23451591
  H     14.02334783      9.16548930    -14.94842797
  O     14.07900223      8.54644705    -15.69279032
  H     18.85775260      9.11930014    -14.47370765
  H     14.76952717      7.92739801    -15.43004445
          69
 Energy    -248.10394229960431     
  O     17.82059980      5.84468812     -9.22032335
  H     17.17837271      5.17647685     -9.49555246
  H     17.10563574      8.73121346    -14.98426396
  O     17.74212759     10.29155288    -14.15491800
  H     17.33135940      6.45923059     -8.66062023
  H     15.71448376      7.45269371    -11.13796499
  O     13.00599541      7.32216371    -12.66684819
  H     18.40127077     10.90513140    -14.46742095
  H     15.51269805      5.89925195    -11.06559339
  O     11.73637577      5.26679028    -14.19340182
  H     18.07500551      9.92449719    -13.31537684
  H     20.37726096      6.29223988    -11.01154541
  O     15.02753780     10.85392070    -13.47727507
  H     13.84842332      6.99368866    -12.31326936
  H     18.93172665      6.35232595    -10.46851061
  O     16.24650414      8.97436819    -10.25981614
  H     12.53052189      6.57569249    -13.04518226
  H     13.05811061      9.56898256    -10.45206272
  O     18.53787827      9.24756906    -11.79809117
  H     10.78802189      5.24289578    -14.30693151
  H     12.57249300      8.28568247    -11.14134038
  O     12.74314019      3.67987023    -12.04427175
  H     12.09678389      5.66300372    -15.00165500
  H     13.20671453      7.60203346     -9.08003922
  O     16.11889430      7.66466243     -7.80328481
  H     15.96259553     10.76154617    -13.69873424
  H     13.34216659      6.08432145     -8.79548567
  O     12.76939011      6.66839628    -16.37903550
  H     14.56296550     10.21821702    -14.03473877
  H     13.66773151      8.22399857    -14.06398501
  O     15.49933388      5.63189713    -16.52153174
  H     15.58405135      9.66989926    -10.35989852
  H     14.94688787      8.31744756    -14.96334640
  O     16.69955986      7.87782120    -15.17958113
  H     16.22703872      8.65862848     -9.34736573
  H     14.22204450     11.84330529    -10.59668315
  O     15.44968562      6.67092335    -11.64249422
  H     17.76177943      9.22871776    -11.21973781
  H     14.55489431     10.94287432    -11.80840341
  O     19.50494945      6.62222923    -11.20848039
  H     18.99841499      8.41790293    -11.63046733
  H     12.45152253      3.73652476     -8.91364412
  O     12.55630678      8.76010771    -10.29899513
  H     12.42473566      4.12638683    -12.83579208
  H     12.81882388      4.13359119    -10.36112776
  O     13.63666992      6.95307274     -8.50294767
  H     13.58801749      3.27204439    -12.27694051
  H     18.37265082      6.23601996    -12.65035847
  O     14.01987361      8.59119917    -14.88982611
  H     16.13235687      7.91466699     -6.88397651
  H     16.83123986      6.32139777    -12.71734669
  O     14.34169845     10.93431800    -10.85796119
  H     15.20847139      7.37533671     -8.00402325
  H     14.84318555      4.23307741     -9.77509022
  O     13.00458375      4.32240748     -9.42403794
  H     13.16741381      7.43544551    -15.93149073
  H     15.68738541      3.65542577    -10.93873357
  O     17.62179851      6.12260947    -13.24310226
  H     12.44370423      6.97928726    -17.22018224
  H     15.70403261      3.07401597    -13.22068800
  O     15.71386435      4.26847857    -10.19208981
  H     14.56853052      5.87574911    -16.54555714
  H     15.54940399      1.69129615    -12.54618323
  O     15.32793614      2.61317224    -12.44800371
  H     15.97133057      6.42774702    -16.24294561
  H     16.04452830      4.38776833    -15.26459244
  O     16.41057878      3.95225513    -14.48380837
  H     17.08743378      7.25430392    -14.54813246
  H     16.97355710      4.61685729    -14.06363810
          69
 Ord_Energy   -248.103897    
 O   -2.43649006       5.83487368       3.65845799    
 H   -1.53204966       5.51204491       3.51167011    
 H   -2.59760046       6.53855848       3.02112436    
 O   -3.81604075       1.30493939       3.04757166    
 H   -3.66673255       2.17469454       2.64448380    
 H   -4.15116644       1.47814322       3.93560553    
 O   -6.97056484       3.12507272       4.17976618    
 H   -6.30518532       2.64848924       4.69150877    
 H   -6.84324026       4.05874252       4.38815928    
 O   -2.16528678       5.10969591      0.116352543    
 H   -1.26211870       4.77253723      0.132283062    
 H   -2.65268755       4.56150866      0.752081871    
 O   -3.67336798       1.23107898     -0.997435093    
 H   -3.78792977      0.620845258      -1.72190380    
 H   -4.36537361       1.02153933     -0.345152169    
 O   -6.33993340       5.84140015       4.81749630    
 H   -6.08110094       6.21785212       3.95721102    
 H   -6.94442272       6.46218729       5.21574974    
 O    1.80406997E-03   4.79533625       3.18672323    
 H   0.158007234       4.36883783       2.33635616    
 H   0.228658825       4.16216135       3.88014269    
 O   -6.01063681       4.55652714      0.772062957    
 H   -5.55178356       4.36627388      -5.99998385E-02
 H   -6.63419533       3.84310889      0.951035678    
 O   -1.79173183       3.47274375       7.11767673    
 H   -1.02588308       3.51292968       6.53182173    
 H   -2.47014928       4.04706478       6.73883581    
 O   0.243897334       3.71379638      0.546051979    
 H  -0.247595221       2.87335157      0.498628348    
 H    1.05062687       3.58677697       5.44443205E-02
 O   -1.19532537       1.43849254      0.407370895    
 H   -1.26120114      0.816507220       1.14106047    
 H   -2.02259398       1.37506032      -8.58808085E-02
 O   -2.68134451      0.916331172       7.09254932    
 H   -2.34407592       1.82593811       7.19718742    
 H   -2.67715693      0.520287812       7.95987082    
 O   -3.00965166       7.42837095       1.38947260    
 H   -2.65210891       8.22357178       1.00280821    
 H   -2.68541074       6.68697214      0.851391196    
 O   -4.69899654       2.11343598       5.53609657    
 H   -4.38187075       3.02777290       5.58813667    
 H   -4.13893175       1.59708309       6.12807751    
 O   -7.64341211       2.44158602       1.65241253    
 H   -8.58688736       2.31352544       1.60598195    
 H   -7.43394613       2.65271759       2.58086562    
 O   -4.34134674       3.98867226      -1.34189081    
 H   -4.10865021       3.05229664      -1.29935753    
 H   -3.54506207       4.46501970      -1.07505322    
 O   -3.87556505       4.79331446       5.71833658    
 H   -4.74472666       5.18869781       5.57950735    
 H   -3.30181193       5.20162916       5.05167627    
 O   0.471999794       3.07952213       5.36974430    
 H   0.135764897       2.17595220       5.23387384    
 H    1.32129121       2.99303293       5.79598570    
 O  -0.606104791      0.609781027       5.11690903    
 H  -0.909577727      0.256404638       4.27223301    
 H   -1.34995389      0.560896635       5.72971392    
 O   -5.51233244      0.712212265      0.921146154    
 H   -4.97660971      0.804060936       1.72150731    
 H   -6.31178093       1.22513187       1.08834028    
 O   -5.64647198       6.76944399       2.36596513    
 H   -4.81320000       7.12289000       2.03738022    
 H   -5.89705610       6.07171583       1.74182844    
 O   -1.68105674     -0.285017043       2.63895535    
 H   -1.97492194      -1.18081391       2.49143744    
 H   -2.47967839      0.250055552       2.80073261    
 O   -3.63927650       3.83933592       2.09520555    
 H   -4.50508165       4.10567999       1.75665820    
 H   -3.32858038       4.50981617       2.71782351    
          69
 Energy    -248.10372162682830     
  O     14.69898224      9.75503135    -10.63075092
  H     14.50678710     10.37659538    -11.34358639
  H     15.03768311      3.93998641    -15.67340590
  O     13.45717414     10.65263758    -16.43608594
  H     13.86338070      9.33687466    -10.36611428
  H     16.82604792      4.67853838    -10.95027182
  O     17.00255377     10.72106864    -13.57769905
  H     13.08947013     10.05245609    -15.77573739
  H     17.77045644      4.37339194    -12.12435140
  O     13.24003305      4.84390868    -12.82069088
  H     13.50111272     11.51781028    -16.00932274
  H     12.25756666      7.73180337    -10.78003192
  O     16.44478376      8.31499520     -9.00414553
  H     16.07508433     10.80098830    -13.31865405
  H     13.03354620      7.53224425     -9.44544504
  O     16.57412514     12.48423222    -15.72624491
  H     17.52945867     10.60787175    -12.77534537
  H     18.63259541      7.10926512    -13.22080379
  O     15.51828924      7.53803653    -12.13519316
  H     13.79560843      4.79622299    -12.02932213
  H     18.26120746      7.48571938    -14.67845914
  O     14.25669064     11.04557166    -13.02283698
  H     13.82914437      4.66778391    -13.56170152
  H     14.95473058     12.97242088    -15.26208804
  O     18.10439158      7.37830809    -11.31090780
  H     15.91987895      8.94618174     -9.52112754
  H     13.80237514     13.98268435    -15.03619592
  O     18.44064165     10.14363181    -11.28837347
  H     17.10233220      7.95457483     -9.60709172
  H     12.33834564      8.40242971    -13.63134245
  O     17.79747553      4.22935351    -14.09749008
  H     16.49134869     11.83713091    -16.43712321
  H     13.57209014      8.36520500    -14.55244252
  O     15.18607093      4.53829444    -14.94461409
  H     16.90118144     11.98851009    -14.96222060
  H     15.88982158     10.30378104    -18.45641427
  O     17.75998060      4.65092520    -11.20180137
  H     15.26458118      7.52195379    -13.06450063
  H     15.03460173     10.36450508    -17.16958924
  O     12.57518419      8.18441603     -9.98910332
  H     15.15858808      8.32881347    -11.71323730
  H     10.76169884      6.76618466    -12.50572121
  O     18.63599189      6.78561118    -14.12819863
  H     14.10441410     11.82785883    -13.56607684
  H     12.21245606      6.25218585    -12.63056805
  O     14.02621455     13.05817036    -14.97934151
  H     13.73400907     10.32968880    -13.41294559
  H     14.32228435      6.43444579     -7.44351063
  O     12.86592006      8.94614339    -14.22752184
  H     18.18834677      6.42747471    -11.14988658
  H     15.14684670      7.19181951     -8.50864726
  O     15.94654986     10.29693796    -17.50466696
  H     17.20832126      7.49874728    -11.66822095
  H     14.77362401      5.49783735     -9.84683380
  O     11.67334335      7.04707829    -12.47391970
  H     18.27555374     10.41820913    -10.38782939
  H     15.18192792      6.01267213    -11.24232735
  O     14.39286683      6.58958862     -8.38171324
  H     18.48884238      9.17632745    -11.26093374
  H     15.05043236      6.38902314    -14.99772896
  O     15.03032845      5.20261086    -10.72871828
  H     18.51128503      3.65758754    -14.36877382
  H     15.77632621      7.77251108    -15.16518528
  O     14.96532035      7.33990116    -14.86367528
  H     18.13242701      5.14331038    -14.15871561
  H     16.90284786      9.23104705    -16.30717990
  O     17.22176385      8.78572743    -15.51227542
  H     16.08763598      4.37106061    -14.62562607
  H     17.20357642      9.45008366    -14.80517370
          69
 Ord_Energy   -248.103485    
 O   -5.85253906      0.227886766       1.64882219    
 H   -5.36708689     -0.586972296       1.84879458    
 H   -5.90922260      0.711065769       2.48183823    
 O   -4.30166578      -5.88204288       2.85379410    
 H   -5.01905680      -5.28142691       3.11058259    
 H   -4.11344194      -6.44097614       3.61827326    
 O   -1.99126005       1.16207778       1.58673227    
 H   -1.38274848       1.88532674       1.46257305    
 H   -2.70722890       1.27935898      0.937158227    
 O   -6.08339739      -3.98124075       3.61005116    
 H   -5.83823633      -3.66099381       4.49055147    
 H   -6.95665455      -3.62442970       3.40720487    
 O   -1.34816873      -4.19022751      0.596753538    
 H   -1.51098657      -3.23572278      0.600610733    
 H   -2.17572379      -4.60073519      0.319915146    
 O   -5.75257492       1.23273802       4.25620842    
 H   -6.25792646      0.471463859       4.59625769    
 H   -6.05731916       1.99999654       4.73236513    
 O   -1.81717455      -3.74707794       7.27826691    
 H   -1.38879693      -3.21907520       7.94680357    
 H   -2.06628966      -3.13969803       6.56063604    
 O   -4.33384323      -5.14581442       7.21801853    
 H   -3.46470118      -4.75540400       7.37984324    
 H   -4.18651581      -5.86700869       6.59567881    
 O   -4.03717613       1.19511390     -0.213179201    
 H   -3.96117449      0.466508895     -0.838311434    
 H   -4.76757050      0.958422601      0.378233671    
 O   -7.08655071     -0.959941268       5.06852007    
 H   -6.51586819      -1.60055971       5.51551008    
 H   -7.61004543      -1.45519829       4.42845535    
 O   -3.48918319      -1.34025848      -1.55706930    
 H   -2.94679451      -1.41481638     -0.753305733    
 H   -2.89370441      -1.42495966      -2.29813623    
 O   -3.96490812      -5.45583010      0.140978888    
 H   -4.09675360      -5.66381454       1.08116114    
 H   -3.95072818      -6.29269123     -0.318681002    
 O   -4.59820652      -2.24109697       1.97910905    
 H   -4.93166065      -2.55290484       1.12472999    
 H   -5.03513050      -2.78230715       2.64574385    
 O   -5.25888109      -2.88261557       5.97637081    
 H   -5.09830236      -3.66843486       6.51830196    
 H   -4.38895893      -2.57831860       5.68076611    
 O   -3.06815815      0.228034824       4.08107710    
 H   -3.94642472      0.616092026       4.17552328    
 H   -2.68809938      0.606860578       3.28038573    
 O   -5.42772722      -3.11732411     -0.524219573    
 H   -4.83581781      -2.54448581      -1.03097248    
 H   -4.97916794      -3.96568513     -0.406745613    
 O   -1.20043194      -5.85246897       5.46391153    
 H   -1.24580169      -5.21183491       6.18447876    
 H   -1.28218389      -5.32859659       4.65387154    
 O   -7.64986324      -1.68876863      0.631221771    
 H   -7.15222406     -0.896514833      0.878729403    
 H   -7.04792356      -2.22909689      0.105371580    
 O   -2.67473888      -2.27639675       5.11154556    
 H   -2.74573159      -1.38180470       4.74753332    
 H   -2.41633439      -2.87966061       4.40133715    
 O   -3.56369925      -7.16951275       5.24698067    
 H   -2.67113447      -6.79136229       5.34641886    
 H   -3.50679159      -8.08194828       5.51888800    
 O   -1.99788928      -4.28904819       3.28655148    
 H   -2.81301737      -4.79370451       3.16809630    
 H   -1.58550525      -4.25137568       2.41388345    
 O   -8.43161106      -2.58233833       3.07294583    
 H   -9.36310768      -2.78558064       3.07748842    
 H   -8.21706390      -2.26647139       2.17755604    
 O   -2.17616653      -1.54246771      0.864961267    
 H   -2.94239235      -1.80227220       1.40058208    
 H   -1.93003154     -0.653846204       1.14668190    
          69
 Energy    -248.10341074195918     
  O     18.48508310      8.95570534    -10.15316230
  H     17.78436260      9.52321197    -10.49665826
  H     16.87824938     11.59321426     -9.62981827
  O     14.45837135      8.83580768    -10.44176894
  H     18.95880512      9.46351921     -9.48468839
  H     20.25258308     10.84852998     -8.87290620
  O     19.03061798      3.07359540    -11.49858699
  H     14.78051513      9.01615618     -9.53811687
  H     18.81930827     11.20375793     -8.31546093
  O     21.70823217      6.42954902    -11.86109811
  H     13.50718749      8.89230918    -10.40941859
  H     19.36476152      8.40840366    -11.60379317
  O     15.50091655      9.50804627     -8.05915797
  H     18.87655367      2.13959121    -11.38448274
  H     18.91237084      7.91147529    -12.99483810
  O     18.23637308      5.39003027    -14.92981113
  H     18.20423212      3.45329460    -11.84594472
  H     20.05788707      3.95003584    -12.87355814
  O     22.86527677      8.38431827    -10.12864670
  H     22.30200275      7.00473769    -11.36642884
  H     21.01472121      5.14416581    -13.06326962
  O     17.13816247      7.55675544     -7.02095065
  H     20.99213334      7.01496652    -12.16049918
  H     17.20888037      4.56413576    -13.50999372
  O     21.41385092      7.06265957     -8.26180493
  H     16.02729463     10.31246527     -8.07206322
  H     16.40191855      4.99575183    -12.27142125
  O     19.76821684      8.54104413     -6.46869075
  H     16.03751365      8.82995784     -7.61992837
  H     15.70419834     10.09287079    -11.01581070
  O     17.79136224      6.40244532     -9.50328490
  H     18.28758190      5.03849504    -15.81464251
  H     16.68305995     10.70866401    -12.07138341
  O     17.11268569     11.89319358     -8.73579972
  H     19.06285176      5.13534510    -14.48094479
  H     16.94668737     10.85146337    -14.63382726
  O     19.59680410     10.64776986     -8.18391523
  H     22.37293653      7.94284023     -9.41242205
  H     17.23110856      9.53496069    -13.88054409
  O     19.69290290      8.11271589    -12.46697183
  H     23.76751541      8.46368992     -9.82845182
  H     21.86836966     10.04798959    -10.31513421
  O     20.41030042      4.55753654    -13.53587732
  H     18.01344730      7.84236309     -6.73321389
  H     20.92303403     10.96177963    -11.14180889
  O     16.86065999      4.24491405    -12.66853055
  H     17.29007288      6.98306865     -7.78382653
  H     17.53914281      6.97407452    -14.30941767
  O     16.46752825     10.67520263    -11.13052103
  H     20.96005017      6.29242727     -8.62511975
  H     16.76918442      7.39216734    -13.02192933
  O     17.23453238     10.50305364    -13.79353895
  H     20.82710292      7.46433035     -7.61069325
  H     19.18389817     11.03330415    -13.14916812
  O     21.30664951     10.83044323    -10.26400858
  H     19.73430976      9.34396091     -7.01756393
  H     20.12687284      9.89788955    -12.80896349
  O     17.24987601      7.73589518    -13.78995593
  H     20.08597271      8.80858373     -5.60970635
  H     16.59373450      6.51328152    -10.81265848
  O     20.06358880     10.86378921    -12.80239225
  H     18.59543652      5.88004607     -9.61314301
  H     15.35148783      7.34876428    -11.19758267
  O     15.97879797      6.70163234    -11.53924000
  H     18.04292912      7.32632027     -9.66493357
  H     20.74884595      5.51574964    -10.57286653
  O     20.20447717      5.07324583     -9.90525831
  H     16.79466718     12.78947379     -8.65676232
  H     19.84604857      4.28515245    -10.33214869
          69
 Energy    -248.10319725428988     
  O     11.84978257     10.70281401    -14.85390904
  H     12.27462139     10.12377439    -15.50176816
  H     14.55919978      5.86809826    -16.16471772
  O     15.81464963      6.43768359    -13.38314150
  H     12.42244834     11.47469277    -14.77293010
  H     20.55066666      8.05118123    -13.71826865
  O     17.37127743     10.58060881    -11.86753728
  H     15.08920568      6.38756270    -12.74609188
  H     19.14437479      7.95283710    -14.33088964
  O     18.02597175     11.34543610    -14.55340327
  H     16.55421641      6.84087394    -12.90827839
  H     16.60768882     11.77735676    -15.61863798
  O     12.71304584      6.24034354    -16.13548160
  H     16.45646477     10.77239667    -12.12033788
  H     15.78122539     11.15386113    -16.77447875
  O     15.07926260      9.27601001     -8.96418210
  H     17.44529875     10.81952209    -10.93236173
  H     14.58053234      8.90893057    -15.17406774
  O     13.90708111      6.64864701    -11.37686293
  H     17.92434014     11.18825331    -13.60578918
  H     15.34709455      8.01567094    -14.14619733
  O     14.77860776     10.90126674    -12.75115275
  H     18.20923250     10.47811329    -14.93656745
  H     10.02608505      9.40405457    -12.65407732
  O     16.99527225      7.33293828    -17.76978843
  H     12.47995928      6.37109598    -15.19765079
  H     11.24545950      9.78180178    -13.52913440
  O     16.22017766      6.75348051     -9.74450103
  H     12.05148582      5.66041772    -16.50285603
  H     11.63015385      7.53000417    -13.33153652
  O     17.93031270      8.68558932    -15.46333433
  H     14.34057382      9.35817914     -9.58032628
  H     12.63641006      6.50081808    -12.78543983
  O     15.52119617      5.82851532    -16.10075990
  H     15.44762737      8.39634226     -9.11047437
  H     18.49690864      7.64231254    -12.32732699
  O     19.72416268      7.57854939    -13.64779593
  H     14.60165243      6.50203142    -10.72306717
  H     17.56782602      8.77363782    -11.81832553
  O     15.81814856     11.89842464    -16.16839239
  H     13.65964084      7.58183419    -11.28576273
  H     16.41973908     10.45134869     -9.02961622
  O     15.29878708      8.90116589    -14.53016656
  H     14.43174938     11.65046107    -13.24775969
  H     17.19422452     11.63704933     -8.43012520
  O     10.94707306      9.20677756    -12.80097278
  H     14.97461648     10.20919451    -13.40378673
  H     16.03696357      8.85724049    -18.04652780
  O     12.09060597      6.71053858    -13.55282142
  H     17.50079971      6.75731269    -18.33691126
  H     15.57032526      9.97614736    -19.00291120
  O     17.69573912      7.81398547    -11.81377335
  H     16.46676861      6.75804793    -17.18467591
  H     12.35073316      9.33213989    -11.55474256
  O     17.18765446     11.03201087     -9.16648000
  H     16.81151583      7.11526911    -10.42664939
  H     13.77004047      9.93049343    -11.63756823
  O     15.47471780      9.64472311    -18.11253363
  H     16.74993193      6.17472402     -9.20227404
  H     14.50585016     12.49363672    -15.21915639
  O     13.21058001      9.33416961    -11.11749074
  H     17.04409718      8.84062854    -15.10226835
  H     13.76066166     13.71843076    -14.63745369
  O     13.79403728     12.76639473    -14.61105149
  H     17.79341604      8.22983630    -16.30031517
  H     13.06946524      8.02256431    -16.52962220
  O     13.28606354      8.96339192    -16.49375404
  H     15.72463638      5.89489888    -15.15768010
  H     13.93658711      9.16382880    -17.17863887
          69
 Ord_Energy   -248.102859    
 O  -0.554686069       5.43796062      -9.28905085E-02
 H  -0.831372440       6.03587246     -0.797684968    
 H   -1.34592426       5.28199625      0.438181162    
 O   -1.59058607       1.06648827      -3.48127341    
 H  -0.845662832       1.50903988      -3.90719318    
 H   -1.58144462      0.165542617      -3.82495213    
 O  -0.985948324      -1.31404686      -4.81679678    
 H   -1.84839904      -1.75229263      -4.82412767    
 H  -0.908291936     -0.786437869      -5.62160826    
 O   0.795624673      -1.17886031      -2.62323999    
 H    1.21440399     -0.314087063      -2.69170141    
 H   0.275993168      -1.30526984      -3.42953134    
 O   -3.74159384       2.53105283       2.91719008E-03
 H   -2.90828800       2.07565331     -0.187068745    
 H   -3.52466869       3.31724501      0.517295659    
 O   -3.11596227       5.05414104       1.12055230    
 H   -3.50508857       5.47688341      0.332673371    
 H   -3.49139071       5.48971033       1.88112974    
 O   0.341719806       3.18074441      -1.33341968    
 H  -0.266705394       2.49347925      -1.02445841    
 H   0.157167926       3.97629666     -0.812755108    
 O   -5.01379633      0.100855857      -5.00248003    
 H   -4.49062729      0.612696648      -5.63522959    
 H   -4.54863310     -0.730989933      -4.86572886    
 O   -6.44667387       1.39118123      -3.12536025    
 H   -7.36888504       1.26427138      -3.33059955    
 H   -5.94066286      0.933011591      -3.82131767    
 O   -5.03688288      0.171662152     -0.940362990    
 H   -5.58801413      0.530827641      -1.64629507    
 H   -4.69257021      0.936262012     -0.463495135    
 O   -4.04488134       6.05912733      -1.21899474    
 H   -4.46338940       5.32976151      -1.69623554    
 H   -3.28359079       6.34178352      -1.73993742    
 O    2.00512218       1.50341058      -2.72379398    
 H    1.50077450       2.11991119      -2.16502690    
 H    2.91688943       1.56876767      -2.44985175    
 O   -3.54912925      -2.31164742      -4.45966864    
 H   -3.48331356      -2.15565300      -3.49750090    
 H   -3.97175908      -3.15818143      -4.57434654    
 O   -3.36272454       1.69191146      -6.57941198    
 H   -2.47028470       1.35936987      -6.72481585    
 H   -3.28637075       2.39629650      -5.92183018    
 O   -1.45148587       1.18794608     -0.745147049    
 H   -1.59766865       1.11161172      -1.70151305    
 H   -1.22522485      0.301503807     -0.440139741    
 O   -1.54612458       6.77988863      -2.45406795    
 H   -1.29736066       7.58084202      -2.90896440    
 H   -1.19909811       6.04162598      -2.98017335    
 O   0.544568360       2.29068208      -4.96469831    
 H    1.20046926       2.00935960      -4.31230068    
 H   0.244634315       3.17226887      -4.70458555    
 O   -3.05596781       3.25959349      -4.23324442    
 H   -2.71805549       2.39065456      -3.96611667    
 H   -3.76867318       3.47077823      -3.61626053    
 O  -0.792249918      -1.50340605     -0.441238701    
 H  -0.427459776      -2.13907933      0.167957380    
 H  -0.181758851      -1.45288897      -1.19871414    
 O  -0.647351563      0.655714333      -6.84322309    
 H  -0.219068363      0.674360633      -7.69591522    
 H  -0.157861605       1.26957691      -6.27089548    
 O   -3.29126549      -1.75714970      -1.86471367    
 H   -3.90612245      -1.10578668      -1.49428570    
 H   -2.49535990      -1.73873985      -1.32511270    
 O   -4.96208286       3.60404825      -2.26778746    
 H   -5.58605051       2.93915105      -2.58701968    
 H   -4.54179382       3.22460365      -1.48117924    
 O  -0.659183800       4.45611906      -3.66281819    
 H   -1.53835726       4.10694361      -3.88363981    
 H  -0.358927459       4.01989365      -2.85197949    
          69
 Energy    -248.10258698629190     
  O      4.93043885      1.39988991      3.25980419
  H      4.00695193      1.52151479      3.01285574
  H      7.94684838     -1.66842829      1.29222296
  O      7.13428895     -5.55206796      2.59716938
  H      5.11044361      0.46317293      3.07410434
  H      7.49338341     -3.14075162      6.36870291
  O     10.64188478     -0.92647847      1.07483757
  H      7.34918879     -6.46430478      2.41717714
  H      8.45624016     -1.99992931      5.96856409
  O      2.52496397     -3.87167926      3.02286756
  H      7.89464039     -5.17717691      3.07365545
  H     11.12145817     -2.21481723      2.33049098
  O      3.75857526      0.00403327      0.13498125
  H      9.77973085     -1.17315361      0.70073569
  H     11.94348367     -2.43658304      3.60543576
  O      5.20680146     -1.31254099      2.97548314
  H     11.17039312     -0.60204443      0.34961306
  H      8.22741903     -2.79861920      3.29665251
  O      5.92079594      1.19606956      5.79949976
  H      1.90126868     -4.59294004      3.03407113
  H      8.01718566     -1.32273183      3.71531690
  O      2.04702522     -1.22801723      4.04609032
  H      3.34592800     -4.20636372      3.42751839
  H      7.03506117      1.45321821      0.92879718
  O      9.13508127     -4.27773049      3.91699635
  H      3.70288486     -0.95429291      0.26823371
  H      6.48222817      1.88380464      2.28863756
  O      3.88023745     -2.64408834      0.88233137
  H      3.22792964      0.39818398      0.83522490
  H      1.42580202      1.41076831      2.37752063
  O      4.83895404     -4.76609770      4.09944823
  H      4.73173692     -1.73659245      2.25261045
  H      2.15362748      0.19233251      2.98554302
  O      8.07752559     -1.60188088      0.33179272
  H      6.11378347     -1.64753387      2.97159991
  H      8.79586121      1.32933002      2.60499890
  O      8.41997934     -2.94089844      6.18745602
  H      5.91716398      2.01521106      6.28818722
  H      9.98766576      0.36220491      2.44412807
  O     11.33541636     -2.87061815      3.00979835
  H      5.56815393      1.39463466      4.91466754
  H      8.84199984      0.24507031      4.54551216
  O      7.81508828     -1.97076684      3.02671639
  H      2.11915917     -2.12042782      3.68452295
  H      7.55895424      0.25852680      5.43604499
  O      7.29132453      1.86364689      1.76320873
  H      2.70273828     -1.18394742      4.75279866
  H      6.96674030     -3.20965404      0.25365359
  O      2.27607845      0.98256433      2.43070498
  H      9.96750732     -3.90091726      3.59835137
  H      6.61759430     -4.44345009      1.12073425
  O      9.54422727      0.93312117      3.07889740
  H      8.96126672     -3.91207206      4.79914852
  H      5.26431356     -3.78219800      7.38127058
  O      8.31664059     -0.27618576      5.17529904
  H      4.67097327     -3.15817962      0.65465844
  H      5.17421375     -2.69264849      6.28777967
  O      6.28308228     -3.86903837      0.42170663
  H      3.34263979     -3.16174592      1.49294901
  H      6.34691164      0.80176808     -1.42040818
  O      5.63025354     -3.51278116      6.54194002
  H      5.60793261     -5.05438980      3.59367268
  H      5.41634989      0.31549497     -0.29127994
  O      6.34947493      0.44980218     -0.53377968
  H      5.16897472     -4.42857545      4.94022586
  H      4.87724084     -0.40414527      5.86936652
  O      4.45246915     -1.22833041      5.60405604
  H      7.48080671     -0.91513112      0.00665466
  H      4.67524027     -1.34919484      4.66514282
          69
 Energy    -248.10248885017751     
  O     -1.04906660      3.34875275      2.72268650
  H     -1.80553881      3.03585729      2.21084707
  H     -0.87816030      7.68375421     -0.52499602
  O     -3.14216223      5.41355504     -0.23279080
  H     -0.59114045      3.98468863      2.14972975
  H     -0.80218000      2.87176255     -2.16397984
  O      3.71686962      6.90320435      0.02000659
  H     -3.16750664      6.02162009      0.51862135
  H     -1.50761115      3.32308226     -3.47057263
  O      1.45130299      7.40966992      1.63196988
  H     -2.37161879      5.66258591     -0.75859247
  H     -2.18135094      0.82536766     -1.80576852
  O     -0.72567878      5.92364645     -1.60020517
  H      4.57251580      7.32358658      0.02412253
  H     -3.02887767      1.28109053     -3.01247872
  O      1.74387112      2.77628832      0.07574177
  H      3.82001477      6.04328544      0.46627315
  H      3.47519213      3.83290759      4.69198852
  O      0.29975299      4.96236831      0.88136411
  H      2.23684164      7.40721491      1.07350748
  H      2.42926121      3.37263873      3.65160691
  O     -2.88594732      7.19360062      1.90245519
  H      0.73453042      7.84968263      1.15149206
  H     -4.96652305      3.17859171     -1.57960130
  O     -0.85459617      1.77837609     -0.75838874
  H     -0.84402985      5.12335890     -2.12992150
  H     -4.28261544      4.55957258     -1.48527209
  O     -1.54334015      5.88902790      3.83382841
  H      0.18871848      6.20522799     -1.77171471
  H     -3.60733611      2.98224374     -4.93847863
  O     -2.93498568      2.81465945      0.77384446
  H      1.95862183      2.92186707     -0.85428120
  H     -3.75110847      3.32816547     -3.43570594
  O     -0.79740069      8.23480604      0.25916670
  H      1.27221859      3.57032822      0.38201745
  H      0.52218949      2.42183019      2.96567505
  O     -0.72934551      3.47437189     -2.92049629
  H      0.73395209      5.73231902      1.27162642
  H      1.63142788      2.08457777      1.95185038
  O     -3.00442661      0.65204837     -2.28052564
  H     -0.11810749      5.27181556      0.06986309
  H      1.07936493      3.45047129     -2.90464779
  O      2.97893163      4.12545171      3.93149915
  H     -3.53225844      7.75441705      2.32315882
  H      2.48050040      3.01733618     -3.39369936
  O     -4.69137604      3.94112068     -2.10416388
  H     -2.40082894      6.74240755      2.61751733
  H      1.77323012      5.62533446      4.17735520
  O     -3.17491868      2.89737134     -4.09330151
  H     -1.52069247      2.12324692     -0.14501394
  H      1.33324576      6.86492985      3.37784156
  O      1.44228114      2.12628060      2.89542988
  H      0.00952674      1.90940226     -0.35535974
  H      3.62026958      4.43974236      2.20197661
  O      2.02304149      3.44346602     -2.67254230
  H     -1.51695864      4.94078517      3.65960762
  H      3.29408450      3.79887772      0.84162631
  O      1.15718656      6.36612944      4.18841481
  H     -0.63492374      6.12913061      4.06952737
  H     -5.66834096      0.85679672     -0.44414473
  O      3.81430658      4.49411005      1.25638332
  H     -3.02174942      3.72709306      0.46178016
  H     -4.34353314      1.08883020     -1.21360361
  O     -4.99265881      1.50582355     -0.61914117
  H     -3.70609649      2.33195854      0.45375355
  H      2.56481140      6.53890148     -1.39985120
  O      1.91473836      6.26545939     -2.05926074
  H     -1.52450027      7.97231820      0.84017313
  H      2.13759621      5.35965799     -2.30379894
          69
 Energy    -248.10243256293788     
  O     -7.17405567     -3.16560111      5.95634654
  H     -7.85936423     -2.56550751      6.26948570
  H     -5.87097312     -2.15748750     -1.08082951
  O     -9.45011527     -3.18803321      2.21624066
  H     -6.33560351     -2.74809352      6.19222690
  H     -3.11244575      1.69464691      2.69827915
  O     -7.27125181     -4.46510295      3.56883194
  H     -9.76872657     -2.58543543      2.90258307
  H     -4.33424944      0.97589834      2.06424243
  O     -5.30053358      0.94034547      0.49896805
  H     -8.77374754     -3.72738397      2.64115077
  H     -6.80122353     -1.09476488      3.07612064
  O     -6.65012884      0.39384761      5.96968710
  H     -7.26387302     -4.03734424      4.44386772
  H     -8.24278535     -0.76221116      3.58390329
  O     -5.33062889      5.45764207      1.64565039
  H     -7.17263584     -5.40120923      3.72036818
  H     -4.38847323     -1.59315449      5.69184230
  O    -10.02181223      0.93818762      0.41374993
  H     -5.44898807      0.05482730      0.14829594
  H     -4.14747739     -1.80998449      7.20671763
  O     -8.92059465     -0.98183865      6.76227350
  H     -6.16292324      1.25503764      0.80932898
  H     -2.51709873      3.75040418      2.89467357
  O     -3.79286942     -1.41413786      4.11032452
  H     -5.97118475     -0.22849272      6.26436920
  H     -1.10230547      3.34115447      2.41400849
  O     -4.04293593      3.47951131      0.27971624
  H     -6.85029748      0.16620438      5.04666476
  H    -10.64214198      1.97359561      3.32565988
  O     -9.93827939     -1.22521879      4.13606129
  H     -5.36337085      6.25448559      1.12348703
  H    -10.76514496      1.02750752      2.12703270
  O     -6.06269322     -1.68980603     -0.27273346
  H     -4.91496722      4.77483006      1.08956828
  H     -5.80765654     -2.31067538      1.46034048
  O     -3.84024276      1.08930360      2.88791326
  H     -9.17075686      1.25776107      0.76570053
  H     -6.23081545     -3.22265266      2.67128473
  O     -7.36540679     -0.39041607      3.41942350
  H    -10.22221813      1.46720134     -0.35427453
  H     -9.01504262     -2.21237076      0.78037706
  O     -4.83022089     -1.65984176      6.55936101
  H     -9.25965679     -0.74573288      7.62195438
  H     -9.25801644     -0.82331480      0.13663139
  O     -2.02910901      3.15143252      2.30050423
  H     -8.16950575     -0.39165758      6.58438858
  H     -4.22750860      4.06142637      4.32583915
  O    -10.95345395      1.10539163      3.07392442
  H     -3.68992581     -0.52756338      3.73984992
  H     -4.23473120      5.09299648      3.17964302
  O     -5.73046101     -2.43742765      2.41396527
  H     -4.37490332     -1.88087127      3.49445442
  H     -4.86401847      2.03154503      4.08852155
  O     -8.71247672     -1.61369475      0.08031967
  H     -3.25182435      3.35566390      0.81928456
  H     -5.79339720      1.97070096      5.32111830
  O     -3.66399609      4.67846427      3.83968394
  H     -4.45180246      2.60785621      0.20190739
  H     -7.59879786      2.49780943      2.08497143
  O     -5.35979468      2.58075850      4.71428827
  H     -9.77091253     -1.14900230      5.08248998
  H     -7.60564449      0.94364701      2.26919545
  O     -7.71312971      1.65565226      1.62021197
  H    -10.39443457     -0.42208820      3.84343211
  H     -6.64101065      3.48691620      3.71084287
  O     -7.22517155      3.89180714      3.05412319
  H     -7.03485435     -1.64992442     -0.19358246
  H     -6.67812451      4.52179875      2.56790836
          69
 Ord_Energy   -248.101974    
 O   -4.39464092      -3.38974977       6.32739878    
 H   -3.67405701      -4.03112793       6.28159904    
 H   -5.09167814      -3.81976151       6.84055805    
 O   -3.88992214      -7.42721653       4.40487576    
 H   -4.57326126      -6.94419479       3.91965365    
 H   -3.39807415      -6.77137947       4.91342878    
 O   -9.67302418      -6.81647921       3.35953975    
 H   -9.15769863      -6.61982822       2.56916571    
 H   -9.05042648      -7.18817520       4.00044870    
 O   -5.64062881      -3.44068146       3.81908846    
 H   -5.10296392      -3.33629179       4.61496305    
 H   -5.68870115      -4.38735723       3.61913562    
 O   -8.84353065      -6.35517454       7.56815624    
 H   -8.08864117      -5.83538294       7.86744261    
 H   -9.58808327      -5.74202681       7.54066086    
 O   -9.44814110      -2.15923476       8.32695580    
 H   -9.98008060      -2.88957858       7.98748636    
 H   -9.16556835      -1.64146876       7.56184292    
 O   -8.09049702      -1.06543982       6.07951927    
 H   -7.24578381     -0.875567257       6.51279211    
 H   -8.06590557      -2.01180506       5.86961126    
 O   -7.85346794      -3.73948121       5.48181820    
 H   -7.19086409      -3.65676475       4.78385830    
 H   -8.67844105      -4.06780148       5.10334969    
 O   -10.3796873      -4.48644018       4.59990215    
 H   -10.2433195      -5.33334923       4.15074968    
 H   -10.4654179      -3.79382658       3.92882299    
 O   -4.66364288      -6.71546745       7.83533144    
 H   -5.01425266      -7.49396467       7.38530445    
 H   -5.38252974      -6.07176828       7.87757254    
 O   -10.2886467      -2.53859830       2.69285607    
 H   -9.78395367      -2.85769844       1.93633115    
 H   -9.85355091      -1.72511709       2.97754288    
 O   -7.71909475      -7.42469406       5.28412342    
 H   -7.04050064      -8.04061890       5.58524609    
 H   -8.16392231      -7.08473635       6.07436371    
 O   -2.69119811      -5.62869692       6.32151937    
 H   -3.32769680      -6.04423380       6.93256235    
 H   -1.82298791      -5.76556015       6.69172573    
 O   -6.57201529      -4.62505198       7.74059725    
 H   -6.71012735      -3.96485996       8.43365669    
 H   -7.08610964      -4.35623360       6.96127462    
 O   -6.15055037      -6.10296917       3.38629627    
 H   -6.67302799      -6.12061214       2.57534575    
 H   -6.70807457      -6.47676420       4.08483267    
 O   -10.9096174      -4.37804222       7.26254320    
 H   -10.8081760      -4.40015268       6.29480553    
 H   -11.8304100      -4.55051422       7.44405508    
 O   -8.48872471      -3.39878702      0.569084227    
 H   -7.86245203      -2.81310225       1.03414285    
 H   -8.66176987      -2.99704456     -0.278526157    
 O   -5.44641876      -8.86466980       6.11224031    
 H   -4.83892870      -8.45025063       5.47294950    
 H   -5.21622944      -9.78865051       6.15670204    
 O   -8.75974464     -0.270180613       3.56225801    
 H   -8.98008919      0.657037139       3.52523637    
 H   -8.53637695     -0.466103822       4.48803949    
 O   -5.69459391      -1.06369817       7.44788694    
 H   -5.08748388      -1.69962871       7.05005884    
 H   -6.02836037      -1.48177826       8.25151348    
 O   -6.90183783      -1.77778137       1.99720907    
 H   -6.35787582      -2.28392982       2.61769414    
 H   -7.43685675      -1.17330003       2.52563500    
 O   -7.06080532      -2.56168461       9.52327824    
 H   -7.95979738      -2.39808607       9.18333054    
 H   -7.09144211      -2.43119812       10.4668245    
 O   -7.92109728      -6.03522730       1.19314253    
 H   -8.13408756      -5.11772776      0.959138751    
 H   -7.86487293      -6.52181292      0.373849034    
          69
 Energy    -248.10193603234569     
  O     11.87205271      9.52789264    -10.44050467
  H     11.30634189     10.29795658    -10.57124610
  H     14.04423761      8.58863320    -13.11227483
  O     12.21879609      8.27190113    -12.89177972
  H     11.99939518      9.09414887    -11.29512308
  H     14.68689692     14.25892996     -9.64017214
  O      8.41559176     10.45729899    -12.19498040
  H     11.58829506      8.76626737    -13.43047863
  H     15.14427017     14.96304730     -8.34244744
  O     14.38899593     10.25293044     -9.67893324
  H     11.84943336      7.40452953    -12.67770022
  H     10.57823416     12.56902468     -9.43882990
  O     15.71859448      7.90033714    -10.46862968
  H      8.35248349      9.80656213    -11.48268000
  H     11.58370904     12.57552938     -8.25874752
  O     12.30751278     14.95580632    -12.41134103
  H      9.03390636     10.12115087    -12.85375153
  H     11.99348955      8.36655934     -7.53467850
  O      8.18080406      8.96178468     -9.76993061
  H     13.49438579      9.97831465     -9.93802563
  H     11.78653727      8.40305308     -9.05893194
  O     12.12337683     12.26671861    -13.18843047
  H     14.96224906      9.49342243     -9.83947764
  H     12.08506202     10.03236245     -5.48748506
  O     14.86042463     14.08539017    -11.37657911
  H     16.51431113      7.43418106    -10.22699268
  H     12.49580430     10.66066289     -6.83295583
  O      9.79139204      6.63744229     -9.77915945
  H     14.97701744      7.28800497    -10.31330859
  H     12.91152530      6.07479445    -10.66646930
  O     11.88911554     15.15697780     -9.72896019
  H     12.07356529     15.04466984    -11.46989134
  H     13.04581250      6.74625977     -9.28666505
  O     14.97159402      8.86315574    -13.08943112
  H     12.09277164     15.78809618    -12.82435336
  H     14.54144682     11.15783462    -11.28731795
  O     14.46440616     14.39913984     -8.70207253
  H      8.65322367      9.48050868     -9.09524469
  H     14.82139484     10.62402694    -12.69522579
  O     10.71055881     12.88875997     -8.52994795
  H      7.27232947      8.91430075     -9.47948917
  H     11.10713340     10.91933008    -13.90144832
  O     11.86967337      7.79889605     -8.30198636
  H     12.98595832     11.93600792    -12.89584111
  H     10.34958256     10.28022690    -15.08268766
  O     11.99754123      9.93048102     -6.43239360
  H     12.14168489     13.22602290    -13.07243020
  H      9.61990614     11.50480065    -11.39942342
  O     13.55577753      6.34043611    -10.00180200
  H     14.09915397     14.48095981    -11.81728225
  H     11.02607789     12.08227977    -11.74512381
  O     14.58418906     11.42951218    -12.21405134
  H     14.93275706     13.19262713    -11.74013360
  H      9.71294599     11.34738041     -8.03133408
  O     10.57827235     10.14803081    -14.16527912
  H      9.17686933      7.37942252     -9.83952109
  H     10.22624004     10.09887995     -7.32368899
  O     10.43525037     11.85818158    -11.01593103
  H     10.43018527      6.89051750     -9.09895074
  H     10.72176395      6.09351372    -11.13378695
  O      9.49669703     10.42108747     -7.86319724
  H     12.75237380     15.05449334     -9.31010655
  H     11.09570590      4.97598475    -12.13710664
  O     11.34194483      5.84921862    -11.84472663
  H     11.31748526     14.52097491     -9.28011556
  H     13.73620954     12.82546152     -7.97048797
  O     13.33074015     11.96319573     -7.81614253
  H     15.33342724      8.47952362    -12.28119210
  H     13.77472126     11.35621996     -8.42849180
          69
 Energy    -248.10167630779466     
  O      2.34902810     -2.44846883    -10.33513817
  H      2.51469650     -2.99976443     -9.54970126
  H      0.65836184      2.87094251     -6.44216043
  O      0.74556119      1.33900476     -1.07831198
  H      2.32154137     -3.04071684    -11.08254276
  H      4.52639098     -0.08290939     -9.41674753
  O     -1.68312240      0.89547353     -8.34967095
  H      0.50584823      1.42553863     -0.16006336
  H      3.90708421     -1.41524649     -9.90482988
  O      3.13261815      0.57811159     -6.56169271
  H      0.99959007      0.40898464     -1.22061066
  H      2.83283304     -2.63332094     -5.32737462
  O      3.09178670      2.08723945     -2.57556864
  H     -1.11374897      1.58179632     -7.97588809
  H      1.42906828     -3.09484145     -4.82082816
  O     -3.32476051      0.29509773     -6.31542444
  H     -1.11854349      0.36957547     -8.92778198
  H      0.39213893      1.99673903     -4.12352647
  O      4.18347291     -0.62150524     -2.67758800
  H      3.48642667      0.94943731     -7.37876962
  H     -0.11110038      1.65729301     -2.69467696
  O      1.88337135      2.49967143     -5.02281024
  H      2.30576405      0.11588549     -6.76591992
  H      3.94525182     -3.58668872     -7.91578805
  O      0.84327613     -0.94396594     -6.82242425
  H      2.35456967      1.96249438     -1.96496285
  H      2.58063063     -3.78575317     -7.24695703
  O      0.47314976     -0.49276850     -9.51049766
  H      3.53013579      1.22978207     -2.62897413
  H     -1.96198191     -0.40740308     -5.31401041
  O      0.09000227     -2.69139939     -3.57781982
  H     -2.80073038      0.47231406     -7.11938582
  H     -0.87640958      0.19586794     -4.37756444
  O     -0.05033787      2.88647840     -7.09742638
  H     -4.21795379      0.12573456     -6.60057694
  H      3.15017825      1.90440704     -9.19385755
  O      4.69940337     -1.02748102     -9.51351865
  H      4.99733772     -0.80261888     -2.21259443
  H      4.59467289      2.45552642     -9.09596670
  O      2.03918946     -3.13220035     -5.56765566
  H      4.30037479     -0.95933302     -3.58012173
  H      1.10584866     -1.72760952     -2.29322664
  O     -0.38534940      1.71843735     -3.61705797
  H      2.36550560      1.85717111     -5.56123749
  H      2.48206135     -1.07098836     -2.01205333
  O      3.03492603     -3.85188860     -8.09647277
  H      2.35909846      2.53418055     -4.17985316
  H      6.43964841     -2.96571656     -7.74228565
  O     -1.13632950     -0.60683024     -4.85462712
  H      1.23125339     -1.76735126     -6.49916636
  H      5.32652650     -2.00885761     -8.23208383
  O      4.07055286      1.66899558     -8.97311182
  H      0.11472568     -0.72747384     -6.22738174
  H      3.95700687     -0.71391776     -5.69274290
  O      1.58268174     -1.16526680     -1.67226612
  H      1.03855819     -1.14180568     -9.94315846
  H      4.87210341     -1.93572613     -5.94350448
  O      5.57757588     -2.62515952     -7.51923474
  H      0.55707001     -0.67408807     -8.56067978
  H     -2.77982391      2.10004154     -5.65612986
  O      4.32883293     -1.50565224     -5.27139525
  H     -0.55184378     -3.32786695     -3.27154725
  H     -1.72198651      2.58433148     -4.65354587
  O     -2.25860137      2.87096911     -5.40547344
  H     -0.40754514     -1.98103535     -4.01872793
  H      0.94733805      2.53641988     -8.67270703
  O      1.47485994      2.14003014     -9.37763565
  H     -0.85997373      3.05692501     -6.59355009
  H      1.09455722      1.26735124     -9.54834745
          69
 Energy    -248.10165921464409     
  O     13.78448722     11.27144794    -14.16418945
  H     12.94267046     10.80828764    -13.99801140
  H     10.86225092      4.79190557    -11.62139125
  O     11.36473682      7.96218027     -9.63988566
  H     13.58142953     12.02658017    -14.70926297
  H     16.51429165      4.67948715    -14.21710871
  O     15.78602691      5.51350431    -11.30299407
  H     11.13003157      7.18617071    -10.16356018
  H     16.71551350      5.91301410    -15.11485257
  O     13.27061699      2.68741851    -11.67407941
  H     12.00430894      7.65231770     -8.98795280
  H     14.94137200      7.05548434    -11.66305369
  O     13.26508765      6.82554475     -7.82278857
  H     15.53285152      4.95450054    -12.05377917
  H     14.84332729      8.54666509    -11.24607370
  O     14.00617790     11.46307964    -11.27772490
  H     16.69880933      5.78632930    -11.45214134
  H     11.37314169     10.16228300    -12.56022356
  O     11.39756846     10.45808865    -10.70035355
  H     13.34500036      3.25540870    -10.89621453
  H     11.64372384      8.98026176    -13.50354904
  O     14.94656209      3.97391868    -13.44638813
  H     12.34971919      2.74531898    -11.95498159
  H     17.97059377      6.01720736    -13.12117886
  O     11.42822003      3.63998646    -15.18237411
  H     13.02768823      6.73328033     -6.90346506
  H     19.16874365      6.02741666    -12.14373159
  O     15.83397347      9.73519053    -10.23731623
  H     14.07719914      7.36089949     -7.84985091
  H     17.09142227      9.26508424    -13.02968407
  O     10.59596855      3.22457778    -12.61126490
  H     13.12493079     11.15929871    -11.02321489
  H     17.93987538      8.25684025    -12.23734979
  O     11.20101183      5.57782204    -11.17658522
  H     14.00430330     11.50349816    -12.24065594
  H     13.45159579      5.42775771     -9.04668839
  O     17.17844086      5.31628498    -14.51502016
  H     11.39896775      9.56309840    -10.31780980
  H     14.38424052      5.06959761    -10.22560404
  O     14.50885928      7.89382197    -11.87298448
  H     10.73271062     10.95179905    -10.22707180
  H     16.33243469      8.40998873     -7.43254352
  O     11.53524591      9.94066147    -13.48658735
  H     14.34554974      4.49945315    -13.99079051
  H     15.64564849      8.86452321     -8.72874032
  O     18.29184126      6.37879645    -12.27542247
  H     14.39931319      3.39235638    -12.89851084
  H     12.98083727      7.55223420    -12.66919554
  O     17.65257427      9.17853160    -12.24936621
  H     12.08310168      4.35411408    -15.23480948
  H     11.72229005      6.67079776    -12.53595508
  O     13.54136570      4.84125296     -9.80787339
  H     11.58396406      3.08644906    -15.94381291
  H     15.17751713      8.62780921    -13.37764111
  O     15.52313138      8.32516071     -7.92965476
  H     15.26368750     10.45862679    -10.53916344
  H     14.98976016      9.89027320    -14.25413849
  O     12.19619977      7.24528898    -13.15088163
  H     16.56208138      9.63145087    -10.86718598
  H     15.55442794      7.85720555    -15.41913247
  O     15.51024034      9.08109693    -14.16733421
  H      9.82804785      2.65898886    -12.61055108
  H     15.74472101      7.46216244    -16.90308179
  O     15.54030839      7.10884943    -16.04109183
  H     10.84206303      3.36247483    -13.54205219
  H     14.02724398      6.12681259    -15.50406161
  O     13.32947844      5.63640013    -15.05485283
  H     12.01770189      5.30969271    -10.72939553
  H     12.89786549      6.24691063    -14.43694046
          69
 Energy    -248.10165364054888     
  O     -2.15998129      4.51235388      5.13433153
  H     -1.70719780      4.37970857      4.29008033
  H     -0.00359743      2.80556697     -2.05543554
  O      0.88521789      0.85682005      0.70066123
  H     -1.93951844      3.74648622      5.67877033
  H     -5.21295203      5.20146403      5.52998059
  O     -1.32796745     -0.79841856      3.25833433
  H      0.47472008     -0.01564428      0.66507349
  H     -3.87592144      4.61871926      5.01213723
  O     -3.97974415      1.16632207      0.51979810
  H      0.49259800      1.36970608     -0.01672245
  H     -1.59775604      4.08842540      0.99050820
  O     -3.97216458     -1.58558519     -2.49426844
  H     -2.08170799     -1.38664871      3.41639455
  H     -2.87805859      4.08257294      0.11846642
  O     -0.77559193     -1.44846025      0.59209042
  H     -1.02726975     -0.98602670      2.35988374
  H     -5.59268171      3.88374485      3.38513239
  O     -6.40707001      0.80075272      3.79628885
  H     -3.51801510      1.31213880      1.36036157
  H     -6.19421608      2.54515364      2.90324802
  O     -1.80230133      2.02557274      6.54385567
  H     -4.33319152      2.02327652      0.25485581
  H     -1.63400552      2.93087013      2.77211511
  O     -2.18084873      0.13034082     -1.25517510
  H     -3.29020911     -0.97817265     -2.16689298
  H     -0.14147127      3.34199561      2.78183852
  O     -5.39917896     -0.89671538      1.72617354
  H     -3.79023659     -1.71105503     -3.42204206
  H     -5.21206003      3.73904550      1.05928356
  O     -2.34720145     -3.77327439      0.93154890
  H     -1.27444576     -0.96389319     -0.08062518
  H     -5.40884389      4.26688479     -0.38044708
  O     -0.44491209      2.32960676     -1.35728398
  H     -1.20444337     -2.31004655      0.67626617
  H     -3.12560547     -3.03066428      2.54872979
  O     -4.84407604      4.50617966      4.99232741
  H     -7.15925551      0.58077642      4.34183740
  H     -4.18786689     -1.93919171      2.75648949
  O     -1.91517741      4.08529171      0.07689453
  H     -5.67450219      0.99558033      4.40355821
  H      2.32772390      2.56488243      2.90048769
  O     -5.93661692      3.42555065      2.60783390
  H     -1.53489955      1.90380849      7.45081146
  H      1.26005770      1.75496229      2.12836624
  O     -1.03744910      3.69366206      2.70915353
  H     -1.11533995      1.60601136      5.99451729
  H     -0.34823546      0.16474447      4.45294835
  O     -4.78421375      3.82475990      0.18845612
  H     -1.57192675      0.85589608     -1.43724926
  H      0.59453809      1.37848255      4.35388349
  O     -3.49779269     -2.43761836      3.21381284
  H     -2.84918694      0.48202170     -0.64569411
  H     -4.56384877      2.69632984      5.28607371
  O      1.40856558      2.31242738      2.91384619
  H     -5.85900002     -0.41252462      2.42119573
  H     -3.48618058      1.72075340      5.81808036
  O      0.05407899      0.87495810      4.97364450
  H     -4.93976067     -0.22017071      1.20771811
  H     -5.08731413     -2.28793178      0.43303603
  O     -4.30141958      1.76486246      5.30075952
  H     -2.23239809     -4.70946612      0.79451731
  H     -4.52807972     -2.48610937     -1.00451597
  O     -4.66371223     -2.92639524     -0.15333338
  H     -3.18178221     -3.52526465      0.49199501
  H     -3.31315705      1.63229943      3.70198362
  O     -2.74398318      1.53237748      2.93119380
  H     -0.97772220      2.98154613     -0.86682925
  H     -2.22005933      0.72785775      3.05859550
          69
 Energy    -248.10159315493712     
  O      3.68793520     -0.16032855      0.15711388
  H      2.83634070     -0.26426948     -0.29602464
  H      1.67221981      5.78945126      1.81890103
  O      0.48526347      4.06715690     -0.99649135
  H      4.09811420      0.62704872     -0.21854822
  H     -0.32343215      0.77241642     -3.19235361
  O      0.10571067      1.59931896      0.31250923
  H     -0.46284241      4.15328387     -1.15833105
  H      0.45658792      0.20578865     -4.40418442
  O     -1.82160750      1.20021463     -2.48114203
  H      0.69740458      4.50505644     -0.16131061
  H     -0.23894819     -3.21512378      0.09628057
  O     -2.29073529      2.74689960      1.14579874
  H      0.37537320      2.39166637     -0.16524984
  H      0.60196288     -2.56864729      1.21647524
  O     -2.32486775      3.85942863     -1.33462228
  H      0.40912950      0.83467753     -0.19367773
  H     -2.68130882      1.08269744      2.05420971
  O      0.41657798      0.85585281      2.89556367
  H     -2.05014963      2.07916012     -2.16530541
  H     -1.49568898      0.38779090      2.72512364
  O      3.44513605     -2.83365784      1.00277641
  H     -2.05615034      0.57378403     -1.77862035
  H      0.03505848      4.11631150      2.66918210
  O      3.25952680     -2.25083527      3.64888796
  H     -1.56119485      2.23147420      0.76426388
  H     -0.22155688      2.75522016      3.33707696
  O     -2.21497784     -2.59243986      2.62979985
  H     -1.89490617      3.20045024      1.90487094
  H      3.31573960     -0.33612801      3.29270947
  O      4.41596673      2.34926226     -0.84637737
  H     -2.47824783      3.54051080     -0.42840388
  H      3.33373617      0.27264422      1.88227288
  O      1.32651232      4.94335133      1.54568812
  H     -3.08421241      4.38413513     -1.57481105
  H     -2.22334866     -3.22476629      0.99148359
  O      0.55909204      0.49536640     -3.50219324
  H      1.37252284      0.79634985      3.02972894
  H     -2.69780618     -4.16472584     -0.14265835
  O      0.64385362     -2.88408338      0.30155163
  H      0.30843948      1.14867152      1.97480483
  H      1.75666654      1.88847464     -2.90591491
  O     -2.37514404      0.22118419      2.36406474
  H      2.57852829     -3.04126354      0.63235716
  H      1.66868418      3.19685273     -2.08584867
  O     -0.62611236      3.61198194      3.16156315
  H      3.69697539     -1.97909048      0.62520637
  H      0.45049960     -1.02134792      2.95861470
  O      3.16549707      0.48665952      2.81364698
  H      3.40591132     -2.53668446      2.72835506
  H      1.40463745     -2.17346479      3.33712568
  O     -2.10108277     -3.44705441      0.05035096
  H      3.78605751     -2.82021644      4.20286239
  H      1.01561266     -0.38710492     -1.93567973
  O      2.28995593      2.57781248     -2.49485891
  H     -1.29159345     -2.55918576      2.91327006
  H      0.93447642     -1.39015343     -0.70862518
  O      0.53198432     -1.98364988      2.97119905
  H     -2.50416046     -1.67028388      2.62765993
  H      3.34688276      2.32374799      2.20715478
  O      1.25102004     -0.52870078     -1.01105656
  H      5.18865239      2.69799826     -1.28223439
  H      3.73641441      2.90784324      0.83075121
  O      3.32028565      3.12659483      1.67449002
  H      3.67700175      2.42862885     -1.47677123
  H     -2.30519094     -1.57970410     -0.43474259
  O     -2.33303882     -0.61648554     -0.44145070
  H      2.05928140      4.30471823      1.62073714
  H     -2.33100053     -0.35540363      0.48610491
          69
 Energy    -248.10152321763314     
  O     -3.83123124     -2.60346276      0.35532209
  H     -4.36804105     -2.58189357     -0.43339045
  H     -0.42854110     -6.14291226      1.49698025
  O     -0.79834290      2.42278325      5.63124774
  H     -2.90369937     -2.57440257      0.06206974
  H      1.67765431     -3.93630026      5.10861430
  O     -1.51157696      0.78098273      2.31962301
  H     -0.19775642      1.76416367      5.25879419
  H      2.20468596     -3.15342325      3.89730737
  O      0.36629474     -3.73971795      6.50180534
  H     -1.39241954      1.93063869      6.21197158
  H     -0.88645820     -3.10898972      1.56239444
  O     -2.72984747      0.72071670      6.91065933
  H     -1.80648908      1.65803589      2.59324757
  H     -0.31813074     -4.12665950      2.60789461
  O     -1.12436191     -1.44218774      6.13848391
  H     -2.27922438      0.19515347      2.37583119
  H     -4.51111166     -5.76911351      4.57229614
  O     -1.09802142     -5.97881382      5.31665524
  H      0.64306628     -3.83920727      7.41054384
  H     -3.62910980     -5.32037888      3.38097761
  O     -4.13409506      1.10130546      4.61035283
  H     -0.11897342     -2.90093109      6.45226726
  H     -3.89513053     -1.39695559      1.81492210
  O      0.24760581     -0.34966205      0.48421752
  H     -3.28384987      0.90547669      7.66438558
  H     -3.41658962     -1.54361806      3.27303328
  O      0.44785451     -5.74505728      3.07267419
  H     -3.29123682      0.81520603      6.11996860
  H      2.99479006     -4.31135095      1.63535482
  O     -3.42254113     -5.16951084      1.68400042
  H     -1.71564370     -1.90780753      5.52479659
  H      2.43305651     -2.89827284      1.49921751
  O     -0.97498673     -6.05666938      0.70243626
  H     -1.64551625     -0.73690973      6.54105052
  H     -0.09207939     -0.42834218      4.97100892
  O      2.23599979     -4.01727703      4.32358591
  H     -2.01205209     -5.77111994      5.08645662
  H     -0.29638658      0.34761782      3.63982734
  O     -0.62967989     -3.21911283      2.48586720
  H     -0.73716737     -5.21321822      5.77934486
  H      0.82355506     -2.20902838      2.63967663
  O     -3.70971545     -5.30248562      4.35340317
  H     -4.17296585      0.43004797      3.91749062
  H      1.42811281     -0.95856489      3.31028900
  O     -3.72600003     -0.89625660      2.62160634
  H     -3.70932315      1.87093912      4.21066856
  H      1.24767398     -4.64390336     -1.72644523
  O      2.63827343     -3.69678027      0.99349337
  H      0.92422751     -0.66161001      1.09361266
  H      1.47342601     -4.18744054     -0.26849736
  O      0.34961196      0.15150317      4.33518117
  H     -0.36724179      0.16376775      1.02880053
  H     -1.80757478      3.00696288      4.31049764
  O      1.63890663     -1.68291395      2.70674589
  H      1.19722187     -5.26308231      3.44739801
  H     -2.43300584      4.07634779      3.38054476
  O      0.79104467     -4.43257353     -0.91611064
  H     -0.10874578     -5.99409949      3.82666545
  H     -1.90848404     -2.93975372      3.65583190
  O     -2.41286829      3.14042864      3.55901658
  H     -3.63234872     -4.34855788      1.22793239
  H     -3.09266672     -3.59492923      4.42346345
  O     -2.61434012     -2.76599537      4.29965602
  H     -2.61476561     -5.52031679      1.27993609
  H     -0.55682675     -3.20785144     -0.59806500
  O     -1.17217540     -2.56987167     -0.21651597
  H     -0.40874683     -5.62937969      0.05139863
  H     -0.68790465     -1.73935123     -0.08602635
          69
 Energy    -248.10145093978414     
  O     -6.16534044      2.06060998     -5.89469376
  H     -5.31462449      2.15254274     -6.35346804
  H     -4.21532248     -0.30993701     -4.93273836
  O     -2.99723180      3.18127016     -4.15389889
  H     -5.93910905      1.68082105     -5.03920724
  H      0.68618961      2.57525928    -10.70744708
  O     -4.11846946      1.99512208    -10.77600265
  H     -2.04552370      3.16188088     -4.34380214
  H     -0.51931738      2.96627685    -11.58064110
  O     -3.58182870      2.42547713     -6.80675272
  H     -3.29942343      4.08015994     -4.33650904
  H     -1.18727524      0.80025764     -7.29966040
  O     -3.63315687      5.70069369     -5.25254551
  H     -5.08237796      2.04621797    -10.79293226
  H     -2.28184934     -0.02545379     -8.05248558
  O     -6.19146467      4.83962393     -6.46714400
  H     -3.82870243      2.70933381    -10.18855105
  H     -0.30265833      2.89480349     -7.98817855
  O     -5.27204223     -1.53636739     -7.93653293
  H     -3.32792970      2.74378193     -5.93197719
  H      0.59769101      1.67183155     -8.27475660
  O     -1.94470891      2.01467241    -12.47441334
  H     -3.06702686      1.62383422     -6.96623740
  H     -6.95689406      1.72992244     -9.60480077
  O     -3.25390603     -0.39031602     -9.55381598
  H     -2.79777989      5.79818755     -5.73512885
  H     -7.68277989      2.21390322    -10.88151546
  O     -0.87053888     -0.20572631    -11.04220341
  H     -3.82619007      6.55535506     -4.87146256
  H     -0.53908224      4.27835684     -5.48346155
  O     -6.08870277      4.88948794     -9.25535541
  H     -5.34158616      5.10927847     -6.10325505
  H     -0.15187030      2.83580688     -5.84202123
  O     -3.97524951     -0.92660698     -5.63291344
  H     -6.33177043      3.93026107     -6.17275087
  H     -0.99079067      5.43207512     -7.33375070
  O      0.18651798      3.33346428    -11.03436485
  H     -4.86390407     -1.35246216     -7.07125298
  H     -0.50356516      6.62267106     -6.48183948
  O     -1.95420887      0.22522662     -7.17682908
  H     -5.55688126     -2.44636847     -7.91629430
  H     -6.86206195      1.17412565     -7.36273165
  O      0.05788536      2.08952363     -7.59145502
  H     -2.19851290      2.17500936    -13.38004008
  H     -6.46486938     -0.08931037     -8.15037163
  O     -6.87298383      2.30537914    -10.38680280
  H     -2.76254763      2.02662130    -11.95029005
  H     -4.38099073      4.46551423     -9.14155294
  O     -0.45344182      3.39194641     -5.11235969
  H     -3.61822920      0.40919440     -9.95848971
  H     -3.59490904      3.49495461     -8.20145633
  O     -1.09509550      5.87391814     -6.47278981
  H     -3.97903959     -0.84565157     -9.10825589
  H     -4.79640938      0.89123190     -2.71933883
  O     -6.98139991      0.72294207     -8.20906756
  H     -1.17638369      0.46687058    -11.66412293
  H     -4.06991697      1.79661253     -3.73691309
  O     -3.53073312      4.01988091     -9.01399450
  H     -1.65431380     -0.46097855    -10.53873464
  H     -1.83881648      4.37841498     -8.94230806
  O     -4.69647264      1.05837332     -3.65322390
  H     -6.26542724      4.91400954     -8.30236373
  H     -0.44128356      4.22420680     -9.61162017
  O     -0.88539184      4.47863306     -8.79068281
  H     -6.48998350      4.08373936     -9.59966080
  H      0.53705429      0.44795751    -10.24676205
  O      1.27393658      0.94009120     -9.84184542
  H     -3.14622550     -0.60311827     -6.01381990
  H      2.06869908      0.44724643    -10.02653434
          69
 Energy    -248.10130024583620     
  O     15.25627255     10.20187072    -16.38085816
  H     15.85813478     10.93697849    -16.20571326
  H     19.38430202      9.47458767    -15.63468941
  O     16.94376312      4.83883202    -13.90703903
  H     14.45122842     10.31367952    -15.85993011
  H     16.11147467      8.95205282    -15.31276718
  O     16.84259487     12.99507504    -10.54787261
  H     16.02575058      4.97964576    -13.64852100
  H     16.12382234      8.17116389    -13.94913348
  O     19.27942547      8.41247378    -14.11355249
  H     16.98580635      5.07617096    -14.84119099
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  O     16.70835695      9.73340420     -8.75510299
  H     17.61930545     12.60100713    -10.13030568
  H     18.05365316      8.66305550    -11.17554725
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  H     17.22837324      8.40526530     -9.90673018
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  H     18.34836315      8.43010764    -14.38567756
  H     13.51020590      6.98762145    -16.02727613
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  H     14.67649858      7.26795588    -18.10489142
  H     13.11501822      8.11474643    -15.03446905
  O     16.80847397      6.14134836    -16.45564265
  H     13.80667982      6.01441370    -18.36546555
  H     19.05363780     10.91311148    -10.41218825
  O     18.97388901      6.20522872    -12.52393617
  H     15.95000785     10.25256464     -9.04513353
  H     19.83172955     11.43526517     -9.18370687
  O     19.08973016      9.96318459    -16.41619309
  H     17.47537917     10.31038588     -8.86423399
  H     19.18183022      9.58421328    -12.73252649
  O     16.59388918      8.30794280    -14.78152286
  H     16.11512124      7.82312590    -11.71553622
  H     18.15628037     10.69231227    -12.38301106
  O     13.03129029     10.07171955    -14.70266724
  H     14.96396998      7.04781591    -12.45941879
  H     15.40503911     12.14617694    -10.02248359
  O     17.56478559      7.97372404    -10.70501592
  H     15.97897220     11.28973995    -12.95109078
  H     14.10167779     12.00503553     -9.19978124
  O     13.19968813      7.16067341    -15.12892162
  H     16.98842100     11.85578944    -14.00761074
  H     18.94250367      7.32170046    -18.64255239
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  H     13.55642540      4.94045452    -12.88542591
  H     17.87542170      7.13189987    -17.54404891
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  H     13.80986344      6.07610220    -13.90788619
  H     14.37214300     10.81999796    -11.49006328
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  H     14.70624659      9.52360229    -12.28982529
  O     18.29386972      7.79069595    -18.12270904
  H     15.94149936      6.07827000    -16.87437334
  H     17.64534600     12.75409481    -16.24247286
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  H     18.30906137      5.65154935    -12.95920703
  H     18.01135736     11.26299545    -16.04159611
  O     17.35606081     11.95011755    -15.81924061
  H     18.53813631      6.59620550    -11.75831600
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  O     15.60312823      8.63776198    -18.65174200
  H     18.84782813      9.29016762    -17.06358756
  H     15.45327101      9.27253300    -17.93584510
          69
 Energy    -248.10123830352850     
  O     -6.93952017     -4.10424434      3.86108548
  H     -6.20358893     -3.74548528      4.36870283
  H     -3.16617549      2.07781704      3.47803772
  O     -9.10751234     -2.06766730      1.52506717
  H     -7.73912069     -3.80854396      4.32084835
  H     -6.55604520     -0.81719341      2.32159698
  O     -7.08714205     -3.99532573      1.19137140
  H     -8.54795219     -1.48686810      2.06605309
  H     -7.44781532      0.44171958      2.61693311
  O     -5.23793548      2.15126605      1.06854919
  H     -8.55588557     -2.82799617      1.30490915
  H     -4.35489466     -3.04346860      6.00811563
  O     -7.05203218     -0.77640793      5.54917770
  H     -7.01478593     -4.08937059      2.16100363
  H     -4.49688817     -2.25482764      4.68236219
  O     -5.06089097      4.47623491      2.88694888
  H     -7.00410603     -4.86948416      0.82172703
  H     -1.71018949      4.13509327      4.17352779
  O    -10.25879009      2.02487116      1.18251934
  H     -5.34826399      1.56771985      0.31096340
  H     -2.86086954      3.65321465      5.08803653
  O     -9.03745365     -2.91215662      5.23140456
  H     -6.12745162      2.22099061      1.45221442
  H     -8.35256379      0.72798696      5.70178691
  O     -3.76441517     -1.48472425      3.32527737
  H     -6.38385652     -1.46537714      5.66928514
  H     -8.40742120      2.22296954      5.32263115
  O    -11.08015340     -2.02593682      3.42933473
  H     -7.17131738     -0.68627923      4.58738752
  H    -10.98726844     -0.13345240      3.56951342
  O     -6.13625802      0.19246992     -0.85327350
  H     -4.19454917      4.36836872      3.29864129
  H    -10.22245189      1.04276244      4.23519284
  O     -3.69190525      1.30776681      3.22991669
  H     -5.05115360      3.89189276      2.12032020
  H     -5.61898277     -1.12821937      0.35111795
  O     -7.28322828     -0.47955967      2.86031223
  H    -10.93862969      2.65875540      0.97322852
  H     -5.96077567     -2.51107527      1.00422717
  O     -4.99592219     -2.67090356      5.40912693
  H    -10.52951053      1.58036926      2.00842307
  H     -9.33907009      0.76834596      0.07149795
  O     -2.57859711      3.74152346      4.16136313
  H     -9.79786366     -2.59496893      4.72949492
  H     -9.01067711     -0.72897309      0.18560513
  O     -8.95662347      1.44682262      5.48486063
  H     -8.54791623     -2.12950783      5.50670989
  H     -4.03830345      3.79383854      7.33954525
  O    -10.80817301      0.81045288      3.50027467
  H     -3.58493939     -0.53555088      3.32454343
  H     -4.19032814      2.57188988      6.41821403
  O     -5.45032700     -1.69773699      1.11255117
  H     -4.22742371     -1.65794224      2.49456178
  H     -4.75269729      1.27328877      4.72004735
  O     -8.80721837      0.06653222     -0.32275931
  H    -10.46760901     -2.10988538      2.67874335
  H     -5.81591918      0.62425230      5.65621908
  O     -3.58859523      3.29393387      6.66231034
  H    -11.86172795     -2.52588469      3.20703116
  H     -8.58368538      2.28147596      1.88246043
  O     -5.24788479      1.39406106      5.54382188
  H     -6.01938412      0.19802366     -1.79979206
  H     -7.60777241      2.64963694      3.06614037
  O     -7.68904335      2.17810373      2.22616685
  H     -7.09710290      0.19378216     -0.69283988
  H     -6.40065269      3.94732965      4.06698773
  O     -6.98140010      3.38851015      4.60488259
  H     -4.19758723      1.55570701      2.44248983
  H     -6.39406798      2.72853095      4.99990061
          69
 Energy    -248.10118198941657     
  O     16.06736463     12.04579302    -14.24180100
  H     16.81804075     12.44168803    -14.67761273
  H     13.98704979      6.37004060    -11.42921444
  O     12.11112233     11.43676685    -14.57612469
  H     16.39401444     11.68305844    -13.40036389
  H     11.91951940      7.56175082     -9.13832687
  O     10.24276347     10.19186099    -12.74940910
  H     11.46789501     10.94313738    -14.05587171
  H     11.72046717      8.31669208     -7.80773465
  O     13.67437502     13.01151603    -13.02449948
  H     12.78696632     10.81054860    -14.86710753
  H     13.44691353     13.13717464    -11.15346256
  O     15.59147993     11.64430965     -9.29333372
  H      9.41097689     10.65793194    -12.70492905
  H     12.61406504     12.33307196    -10.13497160
  O     17.26821030      8.32910713    -12.07985584
  H     10.69265710     10.34105967    -11.90165049
  H     14.97754597     10.63810600    -15.09225961
  O     13.16396959      4.40788595    -13.24375349
  H     13.01029528     12.65264117    -13.63500816
  H     14.87572504      9.11324036    -14.95566254
  O     16.72816584     10.95733675    -11.80830589
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  H     17.09189510      6.61669545     -9.05467299
  O     13.44715578      7.75214201    -12.37370848
  H     14.81157886     12.13541743     -9.60531492
  H     15.93933107      7.58478575     -9.41791760
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  H     15.95640910     12.14820182     -8.57008796
  H     12.66354470      5.71756258    -10.09548745
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  H     16.80081283      7.98116437    -12.85059619
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  O     14.30044928      5.57920610    -10.95745789
  H     17.06333001      7.74605885    -11.33914396
  H     13.80915452      5.05823941    -14.73553435
  O     12.06010421      8.41636204     -8.69378060
  H     12.24356346      4.55958845    -12.99965394
  H     14.37471140      4.77784390    -16.14626800
  O     13.35357342     12.94760790    -10.20845886
  H     13.67679573      4.63220866    -12.45520965
  H     13.10244073      8.53469404    -15.87403346
  O     14.42113110      9.88486311    -15.32196233
  H     16.54626641     11.20454896    -10.89436829
  H     13.04334248      6.99259695    -15.85796268
  O     16.49907856      6.86341571     -9.75947092
  H     17.03130741     10.03433920    -11.84101133
  H     11.37836098      7.70858917    -14.49683162
  O     11.76157536      5.99409557     -9.87958697
  H     12.58199167      7.67645949    -12.79223014
  H     10.60185965      8.49731746    -13.37876864
  O     14.17231477      5.48042658    -15.53458284
  H     13.61803234      8.69202281    -12.22092783
  H     15.07300201      9.81855462     -9.00131130
  O     12.49342978      7.78710379    -15.86502272
  H      9.70165121      4.85777045    -12.60201418
  H     13.94723329      8.76019139     -8.82664816
  O     10.93238540      7.62896117    -13.63850213
  H     10.59466967      6.09326044    -12.86015443
  H     14.80228618      7.59447045    -13.52119437
  O     14.90123396      8.87479689     -8.90580118
  H     12.58093014     10.49506763    -10.91629868
  H     15.30062306      6.79939711    -14.73185542
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  H     14.94203946     10.42752745    -11.85140252
  O     13.99222586     10.37299606    -12.00733290
  H     15.11786330      5.84291943    -10.52160723
  H     13.76369769     11.18480868    -12.47648331
          69
 Energy    -248.10084946093508     
  O     11.31022422      9.31858943    -15.95487211
  H     11.24690179     10.22158931    -15.61391266
  H     18.35505993      8.62510468    -15.79163711
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  H     16.35392195     10.83187350    -10.23935006
  O     16.40589463     11.93386497    -14.13363148
  H     15.77232408      8.56916432    -10.59765010
  H     17.39155295     10.08347389     -9.36933861
  O     13.14996413      9.48373261    -17.95823132
  H     15.72068350      7.46016226    -11.65531914
  H     11.28512440     12.30697583    -14.12672289
  O     13.90887457     10.67389838    -13.92257961
  H     16.83316323     11.19163453    -13.67870764
  H     11.98372958     12.62319642    -15.47506905
  O     13.26081507     14.62944832    -13.49306428
  H     16.71253434     11.92702736    -15.04778828
  H     15.44196737     12.87425775    -11.02731575
  O     12.50678531      8.40925363    -11.30785178
  H     12.49737231      9.36919301    -17.24453585
  H     14.36938409     11.83768554    -10.63313129
  O     13.13734456     13.87716632    -16.24417479
  H     12.67428307      9.36853370    -18.77694241
  H     11.74889635      7.88175818    -12.76600516
  O     12.83386220     11.20603379    -11.41124938
  H     13.18019883     11.09701426    -14.39353830
  H     10.84356260      6.84019747    -13.46109330
  O     17.59009517      6.94897514    -16.07525628
  H     14.71638691     11.17436537    -14.09089990
  H     14.11197121     11.02531618    -17.53387429
  O     16.51878765      7.26528176    -13.43332173
  H     14.14359931     14.49277798    -13.12744782
  H     15.48883400     11.66080514    -17.19428756
  O     18.61833334      9.52840327    -15.57215401
  H     13.32011762     14.44977371    -14.43991015
  H     17.52521007      9.91122424    -11.96736444
  O     16.95797254     10.06815984    -10.21817059
  H     12.49288131      9.36511989    -11.17709445
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  O     11.57499162     11.91526963    -14.96054723
  H     13.42008473      8.13504959    -11.13993444
  H     16.08992855     13.31881451    -13.10805545
  O     15.25732235     12.15415579    -10.41464184
  H     12.91783935     14.47895301    -16.95058757
  H     16.59781351     14.62430991    -12.45046991
  O     11.42112687      7.57861993    -13.63345748
  H     13.69232465     13.17817035    -16.63594817
  H     14.73958469      7.74877136    -16.04684085
  O     14.54901682     11.85147446    -17.29220320
  H     12.18018643     11.87654271    -11.64050655
  H     14.58148957      8.29659290    -17.45929388
  O     17.60816866      9.77096904    -12.91900963
  H     13.26346956     10.95342957    -12.24353708
  H     11.91294339     13.80400032    -12.78428563
  O     15.84438075     14.04145586    -12.50455508
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  H     10.51199893     13.80201809    -12.12000325
  O     15.15433192      7.74014571    -16.92284080
  H     17.89146814      6.18867298    -16.56455002
  H     17.95652652     12.06405247    -17.28802948
  O     11.17814595     13.23212815    -12.49373407
  H     15.61158212      7.45878668    -13.72101509
  H     17.79855061     10.79860802    -16.41804415
  O     17.32451370     11.57387401    -16.76856492
  H     16.98786047      6.98722740    -14.22784361
  H     13.19205365      7.63420669    -14.17266107
  O     14.06845114      7.96537320    -14.39728831
  H     18.48139360      9.62450475    -14.62115899
  H     14.04308323      8.91950406    -14.22984460
          69
 Energy    -248.10075265960154     
  O     -4.17905514      1.01783368      0.94956759
  H     -4.36972092      0.52460464      1.76714052
  H     -0.25466762     -2.11642844     -1.49898098
  O     -3.91964037     -2.69682862      6.99471252
  H     -4.73844460      1.78997541      0.95866000
  H     -1.25611419     -4.84531081      0.33577767
  O     -2.04950558     -0.28576771      4.25195203
  H     -3.01268480     -2.53922711      6.68429158
  H     -0.95086823     -5.92687562     -0.72598486
  O     -4.51755210     -0.52433234      3.15081044
  H     -3.91263197     -2.55127884      7.93770204
  H      3.19313969     -0.22981559      3.24301796
  O      1.22883811     -2.31682387      5.29287337
  H     -1.77182360     -0.92252009      4.92238117
  H      2.13868551     -1.05918417      2.47422471
  O     -4.20050104     -5.04255719      5.37051655
  H     -1.32063432      0.31570335      4.03882536
  H     -1.23284702     -0.91804474      1.39416612
  O     -1.42807553     -2.46437383      5.84398018
  H     -5.11011810     -0.85907102      3.83850081
  H     -1.39045472     -1.33152373      2.86211741
  O      1.12426606     -5.02493049      4.30045768
  H     -3.65096013     -0.39406679      3.56564531
  H     -1.81479847     -3.22531542      1.65304196
  O     -6.21480002     -4.34967444      3.69763550
  H      1.62483471     -1.71085313      4.65641154
  H     -3.22551812     -3.82961760      1.55358291
  O     -1.38610165      0.68002566      0.54219316
  H      1.32213388     -3.20724321      4.93088766
  H      1.32465561     -2.19189429      0.23659132
  O      1.51108274     -4.83338181      1.64975853
  H     -4.15870643     -4.34997635      6.04139601
  H      0.59343762     -1.96662218      1.56952962
  O      0.49607906     -2.68558314     -1.28797182
  H     -3.31548709     -5.08665115      4.98380122
  H     -5.37441734     -3.47837345      2.27984152
  O     -0.57744516     -5.17127428     -0.27969921
  H     -1.59449899     -3.22189876      5.26464072
  H     -4.65137331     -2.11710022      2.19663760
  O      2.28834076     -0.53106728      3.27703498
  H     -0.46879630     -2.32883220      5.82144290
  H     -0.32005357      1.16827321      2.21179395
  O     -1.12619756     -1.66647617      1.99711949
  H      1.66117785     -5.71988285      4.67206964
  H      0.79772677      0.69404809      3.17131955
  O     -2.28908990     -4.06605134      1.54723193
  H      1.30203931     -5.01217206      3.34273711
  H     -1.87501428     -0.67093199     -2.67805178
  O      1.47805410     -2.06365790      1.18403156
  H     -6.92862348     -4.97924255      3.75056741
  H     -2.55869432     -1.19225946     -1.39419565
  O     -4.80470910     -2.94243508      1.71414804
  H     -5.50332687     -4.68156855      4.27469951
  H     -6.16682610     -2.66625497      4.67398347
  O     -0.02616482      1.19543190      3.13027799
  H     -1.35335303      0.27970948     -0.33639498
  H     -5.28853215     -2.06428222      5.78873621
  O     -1.70190989     -0.93233113     -1.77676356
  H     -2.31114644      0.91792026      0.69534384
  H     -1.87516734     -4.57599822      3.27028611
  O     -5.92175688     -1.83434632      5.09713023
  H      1.65976246     -3.89032450      1.49679412
  H     -0.73110034     -4.93345332      4.26341017
  O     -1.67209702     -4.72483985      4.20333734
  H      0.87741614     -5.10429873      0.97570433
  H     -4.40772841     -2.04600338      0.05931349
  O     -4.09816384     -1.39246983     -0.57894722
  H      0.12773332     -3.55337209     -1.08049765
  H     -4.24355392     -0.53402225     -0.16022037
          69
 Energy    -248.10057955933789     
  O     -5.29457825      2.76597352     -0.91955746
  H     -5.08067767      3.53934905     -0.38116684
  H     -5.05729858      0.59828304      3.91537828
  O     -1.65734253      2.90009918     -3.74739337
  H     -4.54221000      2.15947297     -0.80650957
  H     -1.03092370      3.26198372      1.42787285
  O     -2.95440036     -0.70584802      1.42809673
  H     -2.43066874      3.45524133     -3.58908391
  H      0.18629481      3.06739916      2.37335660
  O      0.13871385      0.04161555     -1.02735188
  H     -1.99089164      1.99222546     -3.71189934
  H     -2.17133478      2.75439585     -0.31633092
  O     -2.77049033      0.39183685     -3.23159793
  H     -2.04461357     -0.47975784      1.66938988
  H     -0.93751159      3.50902341     -0.82629118
  O     -3.61540170     -2.37291983     -0.66538689
  H     -3.54910496     -0.28936231      2.06418173
  H      2.62589659      0.08977611      1.39171398
  O     -1.50953242     -1.93108290     -2.27549906
  H     -0.37465867     -0.65687693     -1.44909555
  H      2.98824028     -0.46923408      2.78963261
  O      0.33502659      2.69662849     -1.92848027
  H     -0.12838989      0.08535025     -0.09890386
  H      2.24701727      3.10270965      1.25254800
  O     -0.39640708      0.23657723      1.75382730
  H     -2.39820302     -0.48564588     -3.08681384
  H      2.19573715      2.01881880      2.34429381
  O      2.85410433      0.33339979     -0.32600057
  H     -3.73700468      0.32870571     -3.26279036
  H     -5.82473247     -0.20766359     -2.36389495
  O     -6.41491667      0.66264973      0.70496738
  H     -4.53609387     -2.14745971     -0.84153002
  H     -5.68544907      1.32008008     -2.40930256
  O     -4.76339970      0.73612878      3.01886214
  H     -3.38772562     -1.91991687      0.15972991
  H     -3.76827994      3.75801504      2.19226703
  O     -0.77218200      2.94604489      2.30567803
  H     -1.20936898     -2.73985349     -2.68115702
  H     -2.54275085      3.07423089      2.83903227
  O     -1.68696294      3.59114799     -0.22551931
  H     -2.26457806     -2.16361065     -1.70455708
  H     -6.36697439     -0.73385989     -0.34682706
  O      2.35295570      0.06964561      2.32678193
  H     -0.27067273      2.84317452     -2.67178952
  H     -7.09572227     -1.93810636     -0.98825076
  O      1.96655941      2.93803594      2.16172294
  H      0.24444450      1.76756828     -1.67186658
  H     -2.87054004      0.90570579     -1.46935314
  O     -5.51630316      0.52182822     -2.91849626
  H     -0.57252481      1.16292182      1.97334836
  H     -3.05630430      0.52995262      0.04734301
  O     -3.50954472      3.10921413      2.85586017
  H      0.50219880      0.05073180      2.05271352
  H     -3.15645980      4.51731534      0.22134730
  O     -6.28497094     -1.43654413     -1.01610602
  H      1.99241691      0.10652904     -0.70228160
  H     -4.05068265      5.75223082      0.47141862
  O     -3.05496750      1.25531279     -0.58722330
  H      2.96251792      1.28010365     -0.48217419
  H     -4.80209735      4.14921995     -3.91933405
  O     -4.02112294      4.80313793      0.56430689
  H     -5.91481276      0.69114422      1.53022526
  H     -4.59929312      3.70170045     -2.47081610
  O     -4.16312463      4.14736590     -3.20780352
  H     -6.20559861      1.47596920      0.23165107
  H      1.85937447      3.09714643     -1.14057102
  O      2.67649152      3.17730496     -0.61857934
  H     -4.32944246      1.60831300      2.99575666
  H      3.22824008      3.81060010     -1.07046717
          69
 Energy    -248.10049238148531     
  O     15.60757460     11.62638978    -15.80948165
  H     16.52704086     11.62641235    -15.52183742
  H     16.94901554      8.49908407    -17.00528232
  O     13.12621130      6.10345811    -14.97301605
  H     15.62781162     11.41731342    -16.75255295
  H     16.42258349      8.71383449    -14.69723963
  O     18.65501456      7.47091728    -12.27129578
  H     13.47936488      6.16071144    -14.07522904
  H     15.21987082      8.31488815    -15.62200418
  O     15.63751329      6.65072990    -18.89359913
  H     13.75493715      5.59411503    -15.49882911
  H     14.20783578     11.21152222    -14.84304461
  O     15.45217053      8.59947562     -9.69289848
  H     17.98659120      6.78518902    -12.42770131
  H     12.79992161     11.63224690    -14.35896146
  O     14.23195871      6.65068607    -12.42284930
  H     18.62928706      7.64976671    -11.32264989
  H     17.33725674      5.99411804     -9.69017922
  O     17.14337150      9.60366294    -13.23767186
  H     14.92931774      7.31258190    -18.93292986
  H     16.86669287      5.12991388    -10.87386987
  O     17.39735467      5.73571392    -15.40088416
  H     15.36900900      6.01112973    -18.22698183
  H     13.25276983      9.32310633    -15.36428301
  O     14.20553496      6.01769602     -9.66676455
  H     15.09807862      9.01755540    -10.48856166
  H     13.18027601      7.76016151    -15.59402113
  O     19.46973598      9.29420549    -16.29650706
  H     14.92603379      7.80085370     -9.56180522
  H     19.58467343      7.15578171    -13.80009118
  O     15.11193557      4.79314341    -16.64817891
  H     14.05317653      6.38276305    -11.51283131
  H     20.77601408      6.54842942    -14.57137463
  O     17.32658480      8.55657526    -17.89676526
  H     14.31055184      7.61520754    -12.41796042
  H     16.94549935      5.39846753    -13.64344486
  O     16.15367977      8.15197363    -15.43247872
  H     17.64079993     10.27850184    -13.71646694
  H     15.85819715      5.91386016    -12.66008205
  O     13.43332489     10.92014793    -14.32786752
  H     17.76117192      8.94426784    -12.89670449
  H     18.45658839      8.17413152     -8.78251805
  O     16.80325085      5.22211592     -9.91269618
  H     18.32833292      5.97241173    -15.34033463
  H     17.14528343      8.17091027     -9.60220777
  O     13.46837399      8.60664556    -15.97020075
  H     16.91390776      6.58019661    -15.42176586
  H     16.25196612     11.28627317    -19.28850789
  O     19.91399593      6.94191943    -14.68827869
  H     13.68588111      5.48914468     -9.06758895
  H     16.47647501     10.05983615    -18.37676970
  O     16.74418887      5.52480983    -12.70828686
  H     15.10262583      5.63875116     -9.67515914
  H     14.07894392      9.96634322    -12.85340605
  O     18.05420923      7.82076778     -9.57126632
  H     19.68258325      8.49955842    -15.79415351
  H     15.52801803      9.54421743    -12.54072331
  O     15.91367428     10.84032541    -18.51588512
  H     18.86602423      9.01721823    -17.00069986
  H     18.98651087     12.11162487    -14.92993142
  O     14.60801883      9.42244530    -12.25844727
  H     15.12119782      3.86773459    -16.88428807
  H     18.81044796     10.67587144    -15.48179411
  O     18.37356314     11.38287486    -14.97320885
  H     15.98106744      4.98809425    -16.26321913
  H     14.40208966      9.57437274    -18.77594570
  O     13.84728259      8.78870588    -18.72722768
  H     16.89332280      7.84497221    -18.39078226
  H     13.59510232      8.71861866    -17.79494863
          69
 Energy    -248.10044234851097     
  O      1.40762731     -1.94066292     -2.19926444
  H      0.65570432     -1.40648590     -1.90637021
  H     -1.52107106      1.49404326      4.99054980
  O      0.14503680     -1.30720790      5.74735265
  H      1.24143200     -2.82699066     -1.85528544
  H      0.49401464      1.73332366      1.54177001
  O     -0.61863024     -0.54777569     -0.84532799
  H      0.47895975     -1.55416060      6.60600163
  H     -0.25947686      2.61789798      2.61435710
  O      0.88875256     -4.32350749     -0.66969579
  H     -0.51204962     -1.98456099      5.49987313
  H     -3.49069123      0.70315382     -0.52979946
  O      2.63692354     -3.09728948      1.05122844
  H     -0.04064158     -0.20834249     -0.15112916
  H     -3.45077043      0.98648728     -2.05026604
  O     -3.38857831      3.40905947      2.89235323
  H     -1.32391914      0.09188796     -1.00226756
  H     -1.98088804      0.24384051      3.33642300
  O     -4.39289186     -2.84991697      3.91311002
  H      1.17533808     -5.22224500     -0.81037863
  H     -1.38906460      0.88897141      2.05738260
  O      3.35886049     -0.88531177     -0.63541913
  H      1.48643122     -3.94407555     -0.00148042
  H     -1.37068081     -2.20657865     -0.54936501
  O     -5.60724632      1.57257463      2.94113650
  H      2.39493887     -2.69047070      1.89195970
  H     -0.88109066     -3.66884158     -0.50634512
  O     -4.53876968     -0.13252293      4.73767000
  H      3.03424392     -2.39091892      0.52640336
  H      0.69578126     -1.95659820      2.79832556
  O     -2.39950401      3.40650210      0.29515669
  H     -4.17075671      2.84917811      2.93254778
  H      1.28025663     -1.40226885      4.10246765
  O     -1.85043677      0.59570170      5.12891990
  H     -3.15518811      3.48796312      1.95506943
  H     -0.90696722      3.97373238      4.74513348
  O     -0.25305466      2.32869980      1.69396444
  H     -5.09177284     -3.47749098      4.08067523
  H     -1.94998408      3.29037045      3.82702509
  O     -2.92739800      1.02741151     -1.25340305
  H     -4.26263697     -2.83771219      2.94893589
  H      1.48863195     -0.30762035      1.84566479
  O     -1.89786590      0.13474295      2.37961712
  H      4.14016508     -0.62085149     -1.11272671
  H      2.15521720      0.01126510      0.48480686
  O     -1.64180059     -3.10611857     -0.31098774
  H      2.73107618     -1.23802333     -1.29164386
  H     -1.36228702     -3.01359248      3.89325268
  O      1.50258722     -1.57105786      3.18199450
  H     -6.49057655      1.82204242      3.19783323
  H     -2.64761534     -3.04123875      4.70712296
  O     -1.10068182      3.15800605      4.29170783
  H     -5.27332638      0.96789786      3.62941211
  H     -1.12067151     -2.80531525      1.40491324
  O      1.42783894      0.26282033      1.06671518
  H     -3.65166300      0.10872953      5.03463273
  H     -1.27532766     -1.53408081      2.27243109
  O     -1.68923738     -3.06482601      4.80383734
  H     -4.50736353     -1.06625857      4.49459098
  H     -3.36174950     -2.94462507      0.61864355
  O     -0.87627256     -2.41753188      2.25138892
  H     -2.61652752      2.71751222     -0.34155442
  H     -4.26888032     -1.75492650      1.00277557
  O     -4.09181450     -2.68598102      1.19280355
  H     -1.55090552      3.13676586      0.67677225
  H     -4.86543403      0.63189838      1.50249596
  O     -4.24611744      0.12468356      0.96428292
  H     -1.11325790      0.04078089      5.41275526
  H     -3.42073467      0.10052112      1.47575064
          69
 Energy    -248.10038267240520     
  O     16.42839483     11.35634909    -11.66211776
  H     17.18859070     11.18189003    -12.22719535
  H     16.24860182      4.88175071    -12.59466981
  O     12.85182845     12.08964524    -10.71445172
  H     15.62723597     11.13455246    -12.15798470
  H     17.86091605      8.85160180     -9.44707024
  O     15.02654837      8.01845978     -8.32884679
  H     13.11805428     11.70151981    -11.55519036
  H     17.90859201      7.29249588     -9.44049088
  O     16.73766721      5.79091376     -9.13190028
  H     13.60016191     12.63062214    -10.42393472
  H     17.32792631      7.23833102    -15.05126129
  O     13.90091093     10.28727252     -6.93424729
  H     15.51854694      7.21785845     -8.53741909
  H     16.76783774      5.79915028    -14.97860855
  O     11.73594442     10.68680054     -8.70039251
  H     15.53872610      8.75611981     -8.69176462
  H     19.39066683      8.28938808    -11.25416334
  O     15.22804810     13.33385993     -9.95110253
  H     16.87622014      5.03600698     -8.56390077
  H     19.65244026      7.48805444    -12.53842347
  O     14.42012494      9.59417967    -15.55035182
  H     16.70399961      5.44910827    -10.03918022
  H     16.14065461     12.52387570     -6.60048812
  O     15.27255466      4.89764593    -14.18895299
  H     14.21837537      9.41343301     -7.19006310
  H     15.10845560     11.51891009     -7.16637767
  O     14.00881555     10.69149080    -12.93070881
  H     13.11383874     10.45239515     -7.47161496
  H     12.09284799      8.89800628     -9.19408681
  O     16.32063373      7.82545067    -11.88402648
  H     12.11696613     11.19793772     -9.43740099
  H     13.29846271      7.95560021     -8.99846045
  O     16.83317296      5.08522391    -11.85145431
  H     10.86585268     11.04274729     -8.54283165
  H     17.50054641      9.56494249    -14.20814793
  O     18.32044813      8.08047185     -9.81317688
  H     15.44836997     13.02429313     -9.06410939
  H     16.56156718      8.54047561    -13.54565015
  O     17.56663663      6.30848744    -15.16454432
  H     15.76184647     12.80728792    -10.55992190
  H     18.73646915      5.90416152    -13.94974564
  O     19.73302674      8.36892599    -12.15682581
  H     15.31250468      9.38202567    -15.22546162
  H     19.99480313      5.15398463    -13.44604588
  O     15.84577416     12.10915527     -7.40626206
  H     14.52063846      9.92029863    -16.44091191
  H     13.79635661      7.83227565    -14.95487570
  O     12.44684879      8.03688143     -9.45007418
  H     14.83916191      4.14636721    -14.58536390
  H     13.47100203      7.36939218    -13.52812414
  O     16.81297497      8.91663022    -14.40297341
  H     14.66039361      5.65056368    -14.28198852
  H     19.13072606      9.83503049    -12.86642188
  O     19.26281981      5.69288752    -13.15702385
  H     14.02878411     10.52327555    -13.87827400
  H     19.39857567     11.21653589    -13.51122064
  O     13.66532438      7.04272983    -14.41968750
  H     13.75893408      9.84673291    -12.52434684
  H     13.08958802      8.08484148    -11.08044668
  O     18.70176671     10.61411056    -13.26553197
  H     16.97981655      8.10309300    -11.23883580
  H     14.50488269      8.05362536    -11.75623120
  O     13.56027888      8.17958185    -11.92015172
  H     16.42349996      6.86765821    -11.95617066
  H     16.50473820     10.82021942     -8.53618776
  O     16.65923608     10.13602650     -9.19862025
  H     17.72447645      5.19512229    -12.21293897
  H     16.53964002     10.54850732    -10.06606249
          69
 Energy    -248.10026342504116     
  O     13.64009323     10.06189287    -16.47032023
  H     13.92955088      9.80212571    -17.35217125
  H     16.36477960      9.19868926    -17.74570951
  O     14.10773791      3.16484876    -15.55794886
  H     13.15249601      9.31109321    -16.09740395
  H     16.51121256      7.40214759    -16.21830262
  O     18.04794431      7.10849555    -12.29450371
  H     13.51017966      2.42279912    -15.50510067
  H     16.04399753      7.22905302    -14.76633019
  O     19.05676257      7.22316743    -17.12625407
  H     14.16987092      3.53470333    -14.66127817
  H     12.80942192      7.07034048    -15.87403758
  O     17.54708351      5.27831404    -18.68720819
  H     18.71403864      7.06998102    -12.99047954
  H     12.69285386      7.60910404    -14.43803170
  O     13.83732337      7.00128648    -10.02321934
  H     17.31524567      7.64320241    -12.64071849
  H     17.19254182      3.17445744     -9.52532554
  O     14.40004683      4.32983717    -13.07500281
  H     18.62464720      6.53712272    -17.64916573
  H     16.86036496      3.94027095    -10.82715082
  O     15.87519284      8.36851216    -13.35225463
  H     18.47640748      7.99619784    -17.17509213
  H     13.79338879      4.81415863    -16.39951643
  O     17.99390226      4.67941401    -15.07610721
  H     17.96142945      4.86968889    -19.44407732
  H     14.66471229      6.08340678    -16.28385580
  O     13.80738742      4.14233321    -10.39938523
  H     17.18962493      4.55184909    -18.14758957
  H     19.60111336      6.97082399    -15.47401905
  O     16.62113281      3.30799645    -17.02832096
  H     14.80808339      6.98425671     -9.95099186
  H     20.80609441      6.80507843    -14.52495176
  O     17.00395176      9.07663223    -17.03112264
  H     13.51695891      7.54029695     -9.30489885
  H     17.41189846      5.40648795    -12.33002024
  O     16.19064652      6.74414515    -15.58866591
  H     15.35341728      4.41633907    -12.94136523
  H     17.46511701      4.29960942    -13.38658899
  O     12.49165664      7.82234352    -15.35676289
  H     14.03292889      4.14535288    -12.19745223
  H     16.66384154      5.77223360     -9.71875080
  O     16.62627897      3.85122094     -9.88712039
  H     14.99398600      8.03115260    -13.13952586
  H     17.17492660      6.96731464    -10.55488720
  O     13.85152814      5.73363954    -16.68139554
  H     15.78894642      9.20611550    -13.82539262
  H     15.89764218      6.17213932    -18.99753601
  O     19.85541938      6.73571182    -14.56306964
  H     18.80099566      5.17988893    -14.91074953
  H     14.50246511      6.22981491    -18.33648201
  O     17.14002974      4.49205660    -12.49771263
  H     17.32869130      5.35039799    -15.30299125
  H     13.77067269      6.10472257    -13.00978087
  O     16.54969938      6.72032585     -9.86314002
  H     14.69699012      3.93036206    -10.08880145
  H     13.49564879      7.08539290    -11.84749940
  O     15.03623691      6.60237276    -19.05200006
  H     13.67090475      5.07023824    -10.17018725
  H     15.82421808     11.55940162    -14.78929646
  O     13.52948656      7.01954445    -12.81082033
  H     15.75956396      3.18168910    -16.61623450
  H     14.95291346     10.48081405    -15.48467835
  O     15.77202169     10.62600469    -14.97305122
  H     17.20956098      3.59519669    -16.31428294
  H     14.91807075      8.31399239    -19.03624293
  O     14.93320447      9.28135457    -18.91862630
  H     16.72851105      9.66411298    -16.31702321
  H     14.79891425      9.66559285    -19.78035251
          69
 Energy    -248.10024226456693     
  O     11.67913359     10.33685020    -10.96708832
  H     11.29619798     11.20392933    -10.86078507
  H     12.48137674      2.86613424    -13.51800245
  O     10.48085752      4.43085865    -10.50473852
  H     11.68447808     10.14661120    -11.92344462
  H     12.87913408      4.49530997    -12.17423914
  O     16.83567111      6.03522489    -12.04496086
  H      9.98132794      4.93378361    -11.15917574
  H     13.55441659      3.26798992    -11.50510878
  O     14.59674936      5.71172288    -16.35568662
  H     11.21597227      4.01092114    -10.97134307
  H     15.91841542      6.70802483    -13.40275680
  O     15.20008909      3.01088382    -10.88092322
  H     17.04261333      5.18272118    -12.45084404
  H     15.17573153      7.97916916    -13.93214496
  O     17.10916008      8.57392700    -10.65555978
  H     16.49139223      5.81975401    -11.16608162
  H     13.88956456      6.43670282    -13.05821072
  O     11.17589304      6.18834051     -8.57679701
  H     14.97879345      6.13114635    -17.12218636
  H     12.34716703      6.56664211    -12.99053297
  O     14.77664268      9.66474183    -13.41111082
  H     14.88198068      6.22542794    -15.58030367
  H     10.39381463      7.56964116     -9.62127524
  O     11.87318967      5.11273266    -15.70423822
  H     15.84342695      3.04434888    -11.59827003
  H     10.58467247      8.84894878    -10.47690526
  O     17.60376870      7.15586381     -8.32002192
  H     15.45167370      3.72023931    -10.27297531
  H     12.78147305      6.62942614     -9.33920551
  O     15.12901138      3.26083645    -15.03332329
  H     17.10182397      7.81333103    -11.25059827
  H     13.34540816      6.60406804    -10.79331929
  O     12.41982114      2.59122823    -14.44932633
  H     16.20887297      8.92020905    -10.63477847
  H     17.72666285      2.84620086    -13.31559979
  O     12.73835398      3.56792654    -11.93247702
  H     10.97822494      5.86658397     -7.70190939
  H     16.35231494      3.35564340    -13.80735329
  O     15.30971683      7.03408251    -14.08225306
  H     10.91407714      5.48886022     -9.20394629
  H     16.49309857      5.87142936     -8.96870892
  O     13.11984706      6.23733739    -12.51286910
  H     14.63605203      9.54269837    -12.45661986
  H     15.04073228      5.86375635     -9.52623439
  O     10.00118975      8.09616985    -10.32893653
  H     15.36242432     10.41234688    -13.50560076
  H      9.35419306      7.01116128    -11.51974686
  O     13.55871079      6.82907216     -9.87416022
  H     12.75158084      5.34114227    -16.03277148
  H      8.12544337      6.35541436    -12.19630202
  O     17.01500103      3.44283420    -13.09922625
  H     11.95792518      4.22671592    -15.33165225
  H     13.46834337      9.80657012    -10.68764240
  O     15.86995291      5.36466485     -9.50758750
  H     18.47357612      7.31889937     -7.96504754
  H     14.11500661      8.45869967    -10.34480692
  O      9.07816237      6.32965314    -12.16041781
  H     17.50710777      7.75591066     -9.07781827
  H     12.84275039      9.67982089    -13.74272348
  O     14.30830096      9.33093268    -10.72030504
  H     14.24213306      2.92305025    -14.85970799
  H     11.54448975      8.83444994    -13.84130412
  O     11.89238472      9.70030507    -13.58435256
  H     15.00682868      4.04182005    -15.58685933
  H     10.24569185      6.79856038    -13.51241460
  O     10.99063791      7.09990553    -14.04802167
  H     11.95389165      1.75939815    -14.46099455
  H     11.19722571      6.41449143    -14.70233346
          69
 Ord_Energy   -248.100189    
 O   -3.88511038       4.37556219       8.10001659    
 H   -4.45021772       5.16824389       8.12960339    
 H   -3.51186299       4.27845478       8.97281170    
 O   -4.74240637       1.03425586       4.79107761    
 H   -4.04224873       1.38878262       4.21406937    
 H   -4.65874672       8.43950510E-02   4.76847506    
 O   -2.99997473       2.08681583       3.01776433    
 H   -2.34161687       2.76727843       3.20556617    
 H   -3.57821941       2.47071934       2.34505677    
 O   -8.45780373       3.87970352       1.47699142    
 H   -7.98650217       3.31678796       2.10018992    
 H   -9.03924465       4.42586994       2.02074718    
 O   -7.67354202       8.73324203       5.20458078    
 H   -7.51698399       8.28579521       4.35979891    
 H   -8.49554348       8.35170269       5.53052187    
 O   -5.31063223       8.85094738       6.50554228    
 H   -6.18025255       8.85895348       6.06554842    
 H   -5.09768057       9.75759220       6.70819664    
 O   -5.75280333       6.88772821      0.866182685    
 H   -6.00943661       6.15087557      0.297987163    
 H   -4.88279772       6.67031097       1.22262752    
 O   -6.56445885       2.70430493       3.45313978    
 H   -5.97925234       3.02838802       2.75099587    
 H   -6.05489635       2.04378414       3.93944383    
 O   -9.05242252       3.01674151       4.79622936    
 H   -8.90114403       2.88621521       5.73983192    
 H   -8.22501469       2.76792955       4.36630154    
 O   -2.26191568       5.10990238       5.87538481    
 H   -2.71153188       4.74979544       6.64730120    
 H   -2.83020473       5.83159590       5.56918383    
 O   -9.66596889       5.40891552       3.54126287    
 H   -9.51875687       4.57009506       4.00791979    
 H   -9.90008354       6.04176378       4.22973204    
 O   -5.64574289       2.38984776       7.11248636    
 H   -5.24460220       1.92476761       6.36943769    
 H   -5.00692463       3.04716063       7.41552639    
 O   -8.27194309       2.77209830       7.53421926    
 H   -7.32189941       2.59012604       7.40805674    
 H   -8.57529640       2.19253325       8.22694016    
 O   -4.83213091       3.60414457       1.52026618    
 H   -5.34611607       3.82306576      0.734122276    
 H   -4.40744877       4.42189503       1.81900108    
 O   -4.13618898       6.89093018       4.86703062    
 H   -4.41792917       7.66470861       5.36726093    
 H   -4.85457373       6.24300051       4.94322062    
 O   -6.31034184       5.22357368       4.80643034    
 H   -6.36128616       4.34271240       4.42238617    
 H   -6.69341850       5.84372091       4.16583729    
 O   -3.47631979       5.89203072       2.35431266    
 H   -2.65942454       5.42456436       2.56834030    
 H   -3.72387648       6.35920858       3.16555595    
 O   -7.40899706       7.03138590       3.04805970    
 H   -8.21310902       6.50399590       2.96515369    
 H   -6.91354370       7.01899767       2.21730518    
 O   -9.89079571       7.04386806       5.91454792    
 H   -9.24239826       6.49362850       6.38717127    
 H   -10.6264420       7.17202520       6.50811529    
 O   -7.91969824       5.49722910       7.04546881    
 H   -8.12380505       4.60153818       7.34151745    
 H   -7.34990168       5.40223217       6.26530075    
 O   -5.54398203       6.52738619       8.15972900    
 H   -5.40908289       7.35805321       7.68847275    
 H   -6.43092871       6.22935200       7.91880512    
 O   -6.63198709       4.49995422     -0.434848338    
 H   -7.36659908       4.30890274      0.175939888    
 H   -6.94062328       4.29448509      -1.31276846    
 O   -1.34304082       4.33566666       3.46585250    
 H   -1.61361325       4.56702185       4.37367249    
 H  -0.396840006       4.44401836       3.42497420    
          69
 Energy    -248.10010537581468     
  O     12.87859287     11.10734448    -12.95551810
  H     12.08482783     10.60190884    -12.74712162
  H     15.56111509      6.71614188    -16.77083101
  O     14.06770024      6.99019471    -17.87109857
  H     13.54502987     10.87169699    -12.29970764
  H     14.95131909      6.67620238    -10.56539785
  O     13.77868043      4.93658145    -12.75603581
  H     14.09201081      6.91841016    -18.82306254
  H     15.06529453      5.51865569    -11.55711664
  O     18.11338824      4.97598290    -11.50319195
  H     13.53957749      7.77709243    -17.66595070
  H     14.28436271      8.05929992    -13.75958669
  O     13.02846668      4.69683099    -16.40525659
  H     12.89170910      4.71297779    -12.45230050
  H     13.54102823      7.78250830    -12.41221939
  O     10.43356375      9.52537263    -12.73243950
  H     13.70280005      5.83918083    -13.10460499
  H     14.74140475     10.07427857    -15.18327642
  O     12.55981274      9.24501431    -17.23410886
  H     17.26322326      5.29234700    -11.16728525
  H     13.55187076     10.88418825    -14.63093167
  O     19.31347462      7.36948167    -12.61245399
  H     18.62000757      5.76474335    -11.72915175
  H     10.89185002      5.01064480    -13.13474382
  O     11.32480418      8.14388963    -14.91814573
  H     13.32589363      5.44249487    -16.93818550
  H     10.40910185      4.17856770    -11.92238919
  O     17.91064430      3.51809801    -13.78708854
  H     13.81875566      4.35452135    -15.96993932
  H     10.72426102      8.12232278    -11.48731636
  O     18.71286421      6.03828115    -14.89918417
  H      9.59949132      9.97129723    -12.85953246
  H     10.96576083      6.59487530    -11.31422434
  O     16.19592049      6.52923826    -16.06926443
  H     10.63927559      9.07191515    -13.56749964
  H     14.81359431      4.33016691    -14.07925160
  O     15.59319621      6.06890744    -10.96258955
  H     12.10852881      9.84612952    -17.82032762
  H     16.21373458      3.82170247    -14.51944823
  O     13.52810848      7.60881099    -13.36187636
  H     13.09026373      9.79157616    -16.62241780
  H     11.55253961      5.03518954    -15.37928891
  O     13.98364325     10.61066606    -15.45297013
  H     20.22874404      7.63577246    -12.61838574
  H     10.83602377      6.32376805    -14.93383825
  O     11.01435775      4.86972340    -12.17736633
  H     19.13703858      6.95055453    -13.47447641
  H     12.70796038      7.83376168    -10.47494398
  O     11.04091576      7.44961973    -10.87153133
  H     12.11271529      7.92741106    -14.39186073
  H     13.90311266      8.87330314    -10.49136785
  O     15.37727244      4.16966966    -14.85115301
  H     11.63964894      8.51341030    -15.74990624
  H     16.03206754      7.99143569    -15.03764895
  O     10.83737001      5.36596592    -14.81647539
  H     18.37684354      2.69073720    -13.70200450
  H     16.28269895      8.67569426    -13.65268489
  O     13.67174761      7.93873475    -10.49736975
  H     17.97085639      3.96464913    -12.92359633
  H     15.68886381      9.77308580    -11.36695538
  O     15.80679651      8.75554559    -14.48843302
  H     18.54570373      5.12583307    -14.63110917
  H     15.38783230     11.05942050    -10.57146353
  O     14.97532737     10.36633411    -11.08225401
  H     17.95642233      6.29028176    -15.44406235
  H     17.75653648      8.19590694    -12.09484069
  O     16.83445173      8.42341827    -11.91700700
  H     15.89853136      5.71279947    -15.64020317
  H     16.40789874      7.60781996    -11.61732248
          69
 Energy    -248.10002205185634     
  O     14.53088002      4.57838391     -7.05216082
  H     15.05210146      4.83387797     -7.83250066
  H     17.46674389      5.62447011    -13.10254452
  O     16.49912179     11.38263278    -10.20736509
  H     14.68553589      3.64828055     -6.90959529
  H     16.79326736      5.45442088     -9.48234927
  O     12.26706490      6.16161723     -7.77396859
  H     16.06759396     11.58813397     -9.36858728
  H     15.80104628      6.50183747     -8.91691322
  O     15.00367797      9.35635159    -11.59378032
  H     15.97156490     10.70155032    -10.64317256
  H     18.69435479      7.31931059    -12.88932190
  O     18.18944294      8.44757034    -10.03726270
  H     12.29695216      6.85527118     -7.10394553
  H     18.44868373      8.42879057    -11.85817561
  O     18.55240021      5.73430340    -10.00289200
  H     12.95670198      5.53273757     -7.52983753
  H     17.13228660     11.00963066     -6.93817627
  O     11.78065008      6.84036338    -10.34252090
  H     14.87573112      8.41802078    -11.39839268
  H     18.48437431     10.70077661     -7.58568189
  O     15.52123519     11.85465223     -7.55843024
  H     15.37332417      9.38486590    -12.48509916
  H     16.51184602      9.61870743    -14.81712692
  O     12.54435095      9.59522693    -10.21113731
  H     17.32239917      8.47878452     -9.61009865
  H     17.19600234      8.85523448    -13.65717131
  O     13.72103966      9.85443885     -7.77943955
  H     18.64932887      9.25739028     -9.78421319
  H     15.10699788      8.74521810     -8.31643202
  O     12.71636027      8.16378796     -5.80130059
  H     18.56652202      5.47649308    -10.93249774
  H     16.37751682      8.12398432     -7.66574659
  O     18.36444624      5.39329672    -12.80252312
  H     18.51207145      6.70522615     -9.99938306
  H     18.16825537     11.20300522     -9.76331246
  O     15.87905060      5.57393106     -9.19761806
  H     10.94310463      6.47177134    -10.60974001
  H     19.66138445     11.61677823     -9.80802386
  O     18.60061809      8.27503297    -12.80119248
  H     11.92079522      6.57947571     -9.41437499
  H     15.85083866      7.18304563     -5.47808160
  O     17.95799978     10.52975202     -6.79579226
  H     14.82512938     11.17495979     -7.57246982
  H     14.91576530      5.98757918     -5.79276577
  O     16.33510038      9.05836045    -14.06676015
  H     15.11585587     12.65637092     -7.23836979
  H     14.86657975      6.12023323    -10.62164051
  O     15.87192648      8.18679810     -8.49016962
  H     13.31087019      9.64849347    -10.79817596
  H     13.46050222      6.61063272    -11.06528196
  O     19.05477758     11.00011537     -9.40860019
  H     12.18551849      8.70534808    -10.31518562
  H     20.07903911      5.78812977     -7.07791726
  O     14.98071333      6.80637572     -5.28681391
  H     13.20077687      9.80706782     -8.59638877
  H     19.04781591      5.84205761     -8.21171273
  O     14.39028001      6.58352026    -11.32299819
  H     13.29122194      9.32672466     -7.09606343
  H     17.69561327      8.81917749     -6.29393073
  O     19.18961978      6.06931762     -7.28113660
  H     13.54376400      7.71391820     -5.54680745
  H     18.06807572      7.30354483     -6.51247140
  O     17.37977537      7.90748172     -6.20097962
  H     12.22620767      8.31690163     -4.99844056
  H     15.29513018      6.27142860    -12.87600668
  O     15.91249032      6.24057063    -13.62080082
  H     18.70623919      4.76257879    -13.43061728
  H     15.97308148      7.14913187    -13.93896166
          69
 Energy    -248.10000724095127     
  O     13.82406593      5.59939444     -8.33662041
  H     13.70371395      5.36190067     -7.42109121
  H     15.14479618      7.99135794    -13.07357664
  O     13.67177115      5.95918881    -16.09306968
  H     12.93658773      5.63177093     -8.73733755
  H     12.85771364      7.65036031    -13.46135275
  O     17.09911755      6.27374184    -14.88891462
  H     14.38370057      6.41725616    -16.55839860
  H     13.17242146      8.19443880    -12.02404440
  O     10.02579337      6.94101852    -12.85764639
  H     14.09108323      5.21576199    -15.64829321
  H     11.16957071      5.18625574    -10.26901657
  O     10.91066210      4.36386550    -11.96711964
  H     16.85977447      6.58895113    -15.76812676
  H     10.98684450      6.60707647     -9.71508392
  O     16.81894796      7.23973174    -10.65851316
  H     16.79767486      6.95081806    -14.26432193
  H     18.36535628      5.39572720    -13.82350456
  O     13.25427233     11.24486429    -12.74261611
  H     10.23714648      6.02025599    -12.65936351
  H     18.23778625      4.23519775    -12.81991771
  O     16.81073093      3.08782146    -12.20633739
  H     10.52526258      7.17421546    -13.65114101
  H     14.08230864      4.60278248    -13.23159440
  O     15.46358597      9.51218778    -15.58309181
  H     10.65036428      3.48491704    -12.22922483
  H     13.48446700      5.86023196    -12.52984832
  O     12.72936587     10.30170167    -15.23903134
  H     11.85125372      4.46139839    -12.19819029
  H     15.75659943      8.20592508    -16.68453963
  O     11.81862462      7.64475161    -14.92349580
  H     17.77458367      7.08493707    -10.68013111
  H     16.18388704      7.63736552    -18.06129827
  O     16.08764908      8.19596805    -13.16504565
  H     16.39642232      6.37137462    -10.63969066
  H     15.82241252      3.60712716    -13.80586233
  O     13.46164562      7.58078652    -12.70992913
  H     13.03195298     10.66150195    -11.99928382
  H     15.95237902      4.90153393    -14.62026526
  O     11.39382709      5.75400995     -9.52188947
  H     14.04280279     11.71327066    -12.47742082
  H     19.31882404      5.99442832    -11.78017201
  O     18.83504529      4.93098159    -13.11798909
  H     16.39422808      3.62632394    -11.51326510
  H     20.36969352      6.85336177    -11.05493278
  O     13.51438412      4.89048619    -12.50452130
  H     16.99201311      2.23586396    -11.81677415
  H     10.10902076      7.79494114    -11.34789943
  O     15.90057639      7.38339625    -17.18768153
  H     14.55118875      9.81025003    -15.49095323
  H      9.36993590      8.53168211    -10.20464453
  O     15.34342073      4.17345862    -14.42312196
  H     15.75115559      9.21985017    -14.70716123
  H     14.96843922      4.94568378     -9.65707094
  O     19.45284905      6.59489627    -11.02702008
  H     12.87090650     10.65451947    -14.34277866
  H     14.70842364      4.78824012    -11.16789470
  O     10.21919581      8.18134142    -10.45968064
  H     12.32720548     11.00223162    -15.74678513
  H     14.33598784      7.39155418     -8.82114127
  O     15.40580804      4.75292760    -10.49576770
  H     12.05686807      8.54898251    -15.16482394
  H     15.43850882      8.04160441     -9.67129833
  O     14.60127362      8.22607784     -9.22443690
  H     12.40025889      7.03840274    -15.40867190
  H     11.83470542      9.06837415    -10.55086927
  O     12.70739569      9.41919066    -10.76709305
  H     16.47408384      7.98750177    -12.30476906
  H     13.35603798      9.06406990    -10.13820842
          69
 Ord_Energy   -248.099838    
 O   -4.51482630       1.76438141     -0.336749047    
 H   -4.70311546       2.57938051     -0.816641569    
 H   -4.67200041       1.92060196      0.605131328    
 O   -3.69065619     -0.474242032       3.15695429    
 H   -2.99954247      -1.00829797E-02   3.66338849    
 H   -4.10443306      -1.09112573       3.75547314    
 O   -8.25445279E-02   1.06075585       2.17462540    
 H   0.563343942       1.75993586       2.00840998    
 H   0.182241797      0.281315982       1.66900265    
 O   -3.90917015       5.77087831      0.220860213    
 H   -3.07059360       5.36993265      -5.74127585E-02
 H   -3.64808631       6.37793255      0.927234113    
 O   -2.73478532       7.00482035       2.42069912    
 H   -1.91639006       6.49796534       2.47572088    
 H   -3.26652837       6.72087049       3.17517781    
 O   -1.78404438       1.01824713       4.35303926    
 H   -1.08650827      0.969871938       3.68290234    
 H   -2.07017541       1.94144034       4.34647465    
 O   -4.40946913       5.71960926       4.35173559    
 H   -4.97656727       5.39762878       3.62778997    
 H   -4.98890448       6.00309372       5.05312967    
 O   -1.75712359       2.01008034      0.115255088    
 H   -1.40358996       1.67549407      0.948266089    
 H   -2.69190812       1.78305590       3.54785584E-02
 O  -0.156935632       4.59143257      -2.82042789    
 H    2.32120194E-02   5.21599436      -3.51744628    
 H  -0.949013054       4.08975220      -3.08833313    
 O  -0.639966071       4.93149996       2.23244429    
 H  -0.945211530       4.94941807       1.31235254    
 H   0.195047781       4.45316792       2.19369745    
 O   -2.56172466      -1.54814136      0.722669363    
 H   -1.60307574      -1.46540296      0.754363656    
 H   -2.90441728      -1.20358825       1.55609643    
 O   -3.72626662     -0.572011650      -1.59565675    
 H   -4.17303133      0.195566416      -1.21333039    
 H   -3.33011818      -1.03341401     -0.842710495    
 O   -5.68715763       4.68194675       2.18336248    
 H   -5.50335741       3.73546314       2.24633503    
 H   -5.14533186       5.01239300       1.45440710    
 O   -2.21425653      0.390273184      -3.58284712    
 H   -2.37017059      -9.90291908E-02  -4.38555241    
 H   -2.78337622      -6.21849997E-03  -2.89618158    
 O    1.43652940       2.88363719      -1.17490983    
 H    1.04639840       2.03376007      -1.41674685    
 H    1.02166021       3.52530217      -1.76424992    
 O   -2.43293929       3.23147631      -3.35942602    
 H   -3.22884560       3.48519373      -2.87970376    
 H   -2.43828416       2.27032351      -3.44847536    
 O   0.310517967      -1.09247839      0.435621798    
 H   0.196738914     -0.584413350     -0.385656595    
 H   0.918887615      -1.80079067      0.241784573    
 O    1.59326720       3.22536945       1.53194535    
 H    1.55291259       3.15167546      0.561811447    
 H    2.51118445       3.35801768       1.75536060    
 O   -4.56618452       2.10150051       2.38404107    
 H   -3.85623693       2.62202048       2.78805733    
 H   -4.41779137       1.18590784       2.65064549    
 O   -1.48718679       4.67811871     -0.367675036    
 H  -0.994918466       4.81356716      -1.18403053    
 H   -1.56456089       3.71948218     -0.239061683    
 O   -2.62385845       3.62194777       3.72396255    
 H   -3.17774725       4.32363462       4.08729410    
 H   -1.91581416       4.05122089       3.22489405    
 O   -4.77586174       4.14790869      -1.82673848    
 H   -4.55667830       4.81360960      -1.15408516    
 H   -5.56527615       4.45705462      -2.26575732    
 O  -0.184994757      0.617738068      -1.65482998    
 H  -0.720256746      0.454563320      -2.43976116    
 H  -0.754245698       1.13604259      -1.06181240    
          69
 Energy    -248.09983023119372     
  O     16.36717297     11.17394697     -9.42531678
  H     16.80592751     11.58325098     -8.68469221
  H     14.03527327      7.98976747    -13.88227168
  O     11.84840194      6.84844560    -11.79808492
  H     16.78699567     10.30473274     -9.55826512
  H     15.16570718      5.33840745    -15.78855068
  O     17.56777735      9.26883737    -15.15868805
  H     12.27522904      6.05699187    -12.14476097
  H     14.18966837      6.21346932    -14.95066698
  O     17.60372649      8.12163764    -12.58784663
  H     12.38299905      7.11727103    -11.03662234
  H     16.29245703      5.50670080    -14.06403715
  O     17.39736968     11.94318650    -14.33673980
  H     16.72198947      9.19438140    -15.62379602
  H     17.77842509      5.80414965    -14.34198845
  O     13.69404392      7.74583395     -9.94826750
  H     17.65362690     10.20063710    -14.91815297
  H     14.51196743      8.13010893    -11.56431845
  O     15.07503974      9.27482767    -16.43243213
  H     17.66698253      8.60766919    -13.42017037
  H     15.82406580      8.38073389    -12.38113295
  O     14.63439937     11.69621164    -15.23166412
  H     17.49904143      7.19126175    -12.83256581
  H     14.53276596     10.77831375     -9.53966447
  O     16.28491350      5.62076048    -17.13273621
  H     16.97833164     12.01003554    -13.45944317
  H     13.42150043     10.75841673    -10.60879675
  O     11.32014494      9.04505315    -13.30879852
  H     17.91077957     12.73797252    -14.45614042
  H     13.79580344      4.73966816    -13.54486046
  O     15.79983105      4.95914353    -11.23347836
  H     14.42693435      7.34559560     -9.46706327
  H     12.97559525      3.67544232    -12.78548452
  O     13.49759936      7.84547842    -14.67849911
  H     13.63911192      8.68417857     -9.71109299
  H     14.08811466     10.05822400    -12.56435783
  O     14.67025580      5.37310611    -14.95608429
  H     14.48839590      8.71416272    -15.90624257
  H     12.63429222     10.42229308    -12.88098429
  O     17.15798280      5.58253510    -13.63664583
  H     14.88118760     10.18510867    -16.16666139
  H     15.97195085      5.87783385     -9.78350971
  O     14.86432747      8.46454866    -12.39899285
  H     15.53718165     11.91971740    -14.97398254
  H     16.18518902      5.89840121     -8.25071513
  O     13.63010060     10.47782234     -9.71170922
  H     14.16511403     11.49356674    -14.41420096
  H     19.49450430      6.78724619    -16.11767866
  O     13.36393601      4.54300608    -12.69639970
  H     16.00420203      6.28315384    -17.78063956
  H     18.32239813      7.66537926    -15.63159095
  O     13.48640213     10.81606082    -12.65716167
  H     17.13357810      5.93118058    -16.79857024
  H     17.02881269      7.96293503     -9.50911488
  O     16.01543727      6.45959793     -9.00243112
  H     10.37977698      9.13884936    -13.43441877
  H     17.66087606      8.55544478    -10.78927936
  O     18.59901306      6.74859646    -15.79040541
  H     11.44787982      8.26557783    -12.73664895
  H     15.01575987      8.10027430    -19.44745091
  O     17.45528570      8.75180195     -9.86551564
  H     14.92986193      4.79110149    -11.61529164
  H     15.36029353      8.39173837    -17.97818350
  O     15.53207406      7.78013049    -18.71230877
  H     16.40203709      5.05470562    -11.98162857
  H     16.18757153     11.84015673    -11.13888908
  O     15.99041776     12.10190861    -12.04708747
  H     12.63215769      8.20702320    -14.46115904
  H     15.06992534     11.86216872    -12.20265661
          69
 Energy    -248.09973959143815     
  O      5.83329960      1.22195583      2.85497641
  H      5.97339340      0.26347273      2.85864462
  H      5.50288777     -4.91431516      4.92267883
  O      6.55664050     -5.56384619      3.43700333
  H      4.89799335      1.36608785      3.05150053
  H      6.32134009     -1.96670111      1.20785666
  O      8.72597910     -2.32284546     -0.88131121
  H      7.19324293     -4.82924496      3.46984261
  H      5.65029360     -1.72262839     -0.16264509
  O      2.69101823     -3.22338469      5.31322813
  H      7.06194603     -6.36975288      3.51098584
  H     10.35228371     -2.77903029      6.20617063
  O      2.90785810     -0.42528182      1.31108298
  H      7.82964924     -2.37039522     -0.50736263
  H      9.53575164     -1.65848011      5.51801030
  O      6.13379921     -1.54288451      3.11649788
  H      8.70336094     -2.78600173     -1.71437829
  H     10.30757234     -1.82352907      1.84859671
  O      7.45363911      1.78421140      4.99539614
  H      1.98866743     -3.74807864      5.68650351
  H      9.65516979     -2.65884594      0.72984298
  O      3.20368838     -0.41963048      5.52020446
  H      3.52436904     -3.69848550      5.49260185
  H      6.29210335      1.46774793      1.04925253
  O     10.65794905      0.02266090      2.16257121
  H      2.87202187      0.25869779      1.98861700
  H      5.84718904      0.84592814     -0.28585687
  O      8.17225038     -3.37488415      3.54000185
  H      3.05938123     -1.25578471      1.78570321
  H      3.07624889      0.73438785      4.23832710
  O      3.63388138     -2.67257876      2.74700576
  H      6.82696471     -2.19272542      3.30154135
  H      2.50589862      2.08107861      3.73251381
  O      5.03916315     -4.46258457      5.63470249
  H      5.27047490     -1.98236604      3.06781516
  H      9.01449977     -0.46342179     -0.43815858
  O      6.25866153     -2.30942077      0.30895268
  H      6.91746488      1.70550320      4.18803195
  H      8.23495068      0.79899177      0.00287337
  O      9.48743372     -2.56821330      5.86562008
  H      7.50247050      2.71282219      5.20656503
  H      8.90462619      0.57710844      4.84600908
  O      9.97681216     -2.70599868      1.63861701
  H      4.13249219     -0.41395733      5.78884376
  H      9.93047028     -0.03256304      3.85900770
  O      6.53828106      1.38217491      0.11935474
  H      2.93650163     -1.34622326      5.51055968
  H      5.46707491     -5.04864530      1.98315647
  O      3.10638774      1.37642369      3.50566082
  H     10.08523542      0.23470943      1.40274169
  H      5.41966261     -3.99430535      0.84674398
  O      9.11181758      0.38832777      0.00162873
  H     11.50722431      0.41579765      1.97894065
  H      6.53805373     -2.03132697      6.75133302
  O      9.56186640     -0.12051325      4.74779387
  H      8.60661613     -3.18102751      4.38008447
  H      7.82268154     -2.86233530      6.73940660
  O      4.88592548     -4.63819706      1.32919542
  H      8.81731023     -3.20001262      2.83714962
  H      3.89244184     -0.40082871     -0.08718163
  O      6.88734658     -2.90591545      6.96944159
  H      3.21476104     -2.93821055      3.57376161
  H      4.01949897     -0.38831892     -1.62981740
  O      4.52754366     -0.44790156     -0.82570152
  H      3.91544158     -3.46289493      2.26265901
  H      6.04505050     -0.91675613      4.93475587
  O      5.98665898     -0.50927194      5.80945565
  H      5.70787826     -3.99717072      6.15920610
  H      6.48630386      0.31307069      5.74755538
          69
 Energy    -248.09963833232294     
  O      2.19504757     -0.19906782      4.93827316
  H      2.00412356     -0.71021625      4.14053646
  H      1.57339138      0.71072636      0.10209742
  O      1.99683782      2.62995277      7.38152158
  H      1.67479310      0.61860252      4.89437986
  H     -3.23584734      2.44648390      2.16501029
  O     -1.83140651     -5.05449711      5.94515268
  H      2.70889220      1.98001556      7.33734869
  H     -2.29122772      1.22316742      2.13313851
  O     -1.74709599     -2.10194210      9.05416202
  H      1.53178826      2.44985173      8.20751987
  H     -2.31090994      1.68105975      4.46420565
  O      1.36298506     -1.65418296      2.76597603
  H     -0.99716086     -4.78934633      6.36267759
  H     -2.29977612      0.36280810      5.25155597
  O      1.70886820     -4.06018153      4.35594390
  H     -2.50670532     -4.49575124      6.34380248
  H     -0.78253740     -0.00636936      0.97094719
  O      3.75811664      0.35752361      7.10190067
  H     -1.65382837     -1.17118354      8.81519049
  H     -1.67615663     -1.01768919      1.70812837
  O      0.54272666      1.68393195      9.64228546
  H     -0.85438437     -2.43681744      9.19917217
  H     -0.65160145      2.55238435      2.36261404
  O      2.22955899     -0.58309796      9.29780776
  H      1.40295867     -1.00200049      2.05461202
  H      0.56496048      2.50272548      3.28986162
  O      1.02823226     -2.99637985      9.41111375
  H      0.43383169     -1.91887066      2.82690461
  H      0.24978533     -2.30332526      6.53777298
  O     -1.33676089     -2.44084280      2.83878372
  H      0.94029250     -4.52287861      3.99635127
  H      0.87886471     -1.02928157      5.87941348
  O      1.10801656      0.42221402      0.88244847
  H      1.81345612     -3.28197616      3.79690455
  H     -0.99838314     -5.97086950      3.02462810
  O     -2.50563822      2.03809482      2.62253195
  H      3.28788632      0.09382977      6.29243606
  H     -1.25614762     -5.15692970      4.31571270
  O     -2.09734624      1.30684326      5.32872831
  H      4.68987059      0.32470982      6.90076755
  H     -0.61950113     -0.16746492      7.44459776
  O     -1.69177114     -0.16599791      1.25094301
  H      0.09163744      2.09975189     10.37209386
  H     -1.66432239      0.93510384      7.21467035
  O      0.31313218      2.55677048      2.35727309
  H     -0.14202316      1.30007763      9.06732888
  H     -2.89511689     -2.79964638      7.91440256
  O      0.10826740     -1.36699071      6.35024322
  H      1.71527372      0.19820211      9.53400695
  H     -4.35524862     -3.21035707      7.61676129
  O     -0.82775431     -5.13038882      3.44062344
  H      2.81352994     -0.31345147      8.57817803
  H      1.20746119     -4.08588097      6.13725402
  O     -1.18270925      0.47333306      7.91008004
  H      1.48706284     -2.13851398      9.37098195
  H      0.97810091     -3.83229337      7.70405358
  O     -3.49872176     -3.10092013      7.21248039
  H      1.29348434     -3.40804472     10.22949847
  H     -0.28242636      1.81562185      5.24892157
  O      0.56515198     -4.05800687      6.86256663
  H     -1.22988401     -3.39527071      2.93426634
  H      1.03842761      2.38801460      5.88287339
  O      0.63542819      2.05438907      5.06799325
  H     -1.79235648     -2.12734857      3.63306424
  H     -1.47616952     -1.45564050      5.57115394
  O     -2.37747737     -1.46477546      5.20955929
  H      0.90048043      1.22308676      1.39714475
  H     -2.90334475     -1.99915038      5.81624810
          69
 Energy    -248.09948385038697     
  O     17.52586436      8.14268652    -12.58617972
  H     16.90360020      8.88354824    -12.66492454
  H     14.72678796      9.83831181    -15.47107841
  O     13.18758405     12.73328065    -11.54353210
  H     18.15687605      8.41280863    -11.90725120
  H     16.84873936      9.11516500     -6.09464202
  O     18.05944731      8.34737411    -15.27782979
  H     13.97019504     13.19035786    -11.88994044
  H     16.17604030      8.49943636     -7.34532801
  O     12.29994219     10.69913254    -13.38883205
  H     12.58746550     13.41091586    -11.24000988
  H     13.87920345     11.27333450    -10.55245372
  O     15.60955401      6.44695036    -11.53282212
  H     18.67355537      7.69857754    -15.61389698
  H     14.04122095      9.73095644    -10.24210166
  O     19.04030606      9.35562642    -10.59195137
  H     17.93174152      8.14873211    -14.33535575
  H     18.94933905      7.95683740     -9.32443872
  O     19.95435762     11.42798958    -12.29379984
  H     12.50631027     11.43194618    -12.80034077
  H     18.18250239      7.92454352     -7.99015828
  O     17.02593583     10.79077725     -9.22038459
  H     12.99202140     10.70192182    -14.06701050
  H     15.75543612     14.93242746    -12.43751303
  O     11.83329685      8.16196653    -12.58635649
  H     15.98991318      5.97828101    -10.78045360
  H     16.27524018     13.54189615    -12.00838114
  O     15.24515892      8.22189370    -16.00225099
  H     16.32397470      6.97273909    -11.92044371
  H     17.04456933      4.60652547     -8.86065293
  O     14.05895461      6.82013821    -13.89746151
  H     19.49837707     10.00941266    -11.13449696
  H     17.48871702      6.08252112     -9.00391092
  O     14.56782894     10.64719691    -14.96243161
  H     18.33192286      9.83050689    -10.13267555
  H     16.57539623     11.08983726    -12.40054613
  O     16.93022747      9.03689508     -7.04117664
  H     20.81525713     11.80087542    -12.46064611
  H     15.36126878     10.36510516    -11.78547236
  O     14.47274704     10.59735999    -10.20553889
  H     19.53547998     11.28130921    -13.16362402
  H     18.42948385     10.21798578    -14.95500842
  O     18.62815922      7.36115417     -8.63558863
  H     16.10387247     10.72495049     -9.51367264
  H     17.90926912     11.67747797    -14.79866248
  O     15.52575591     14.00593515    -12.42053275
  H     17.06831126     10.31467939     -8.38216895
  H     15.71920682     12.07415405    -15.15072734
  O     16.75362121      5.46322361     -9.16099170
  H     11.95826914      9.07884436    -12.89039133
  H     16.07248485     13.23744291    -14.21568812
  O     15.94695869     10.37525836    -12.55312508
  H     10.94347087      7.91333089    -12.82152799
  H     14.29864411      7.48260858    -10.81766615
  O     18.64385160     11.08296718    -14.58907089
  H     14.84706678      7.65659077    -15.32244636
  H     12.87252520      8.02138322    -11.07636960
  O     16.41468805     12.71790095    -14.94852466
  H     16.19742771      8.19944356    -15.85864892
  H     18.42289820     12.27424852    -11.66828970
  O     13.58873101      8.01521089    -10.42827749
  H     13.27179907      7.23935969    -13.53171348
  H     17.40122149     12.04151854    -10.52075225
  O     17.53612572     12.50141606    -11.36135375
  H     14.56875074      6.51790487    -13.13643638
  H     14.36031650      7.63140715     -8.71781510
  O     14.98684216      7.41093704     -8.01787391
  H     15.04325888     10.52992119    -14.12599378
  H     15.48346125      6.64741008     -8.33932279
          69
 Energy    -248.09937958328271     
  O     12.16296638     10.82378316    -14.64300722
  H     12.80779535     11.52387248    -14.49844137
  H     17.27894694     11.63213562    -15.45798516
  O     16.17631366      6.58586676    -13.93335581
  H     12.48044043     10.31311735    -15.40295640
  H     15.63230566      8.26430842    -14.41141918
  O     17.49178506     10.15320613    -11.24176546
  H     15.53401911      6.48075091    -13.21922502
  H     14.56933557      9.09941017    -15.18959367
  O     19.08583871     11.64325261    -15.11107103
  H     16.98878071      6.92035061    -13.52899709
  H     10.28275413      9.13232529    -12.79852942
  O     12.90450439      6.42694559    -16.47526580
  H     16.62906222     10.41244182    -11.59510602
  H     11.54380519      9.70279265    -13.48876732
  O     14.24424194      8.70044405     -8.43208991
  H     17.34120636      9.78541836    -10.36217975
  H     17.53908003      6.83167850    -11.21119306
  O     14.44509274      6.55350317    -11.74632572
  H     19.25547907     11.67440268    -14.15366976
  H     16.98562227      7.27154243     -9.84722668
  O     15.01974474     10.71003314    -12.34897207
  H     19.77017905     12.15865214    -15.53014669
  H     11.99519037      7.40791269    -13.51512042
  O     17.47473594      7.98697606    -17.58357433
  H     12.26146255      5.83111686    -16.84992663
  H     13.10514086      6.42039000    -13.10458543
  O     18.88779910      8.76848870    -15.21186579
  H     12.74710470      6.44033148    -15.51367651
  H     20.30510432     11.44995989    -11.90931123
  O     15.74416013      6.15842176    -16.61677738
  H     13.69881604      8.05963764     -7.98199269
  H     18.80381229     11.13116702    -11.95486860
  O     16.33187477     11.50795029    -15.59334119
  H     13.82393313      8.84855441     -9.29487817
  H     18.04635839      8.63766935    -12.22579779
  O     15.29267375      9.15529105    -14.55211011
  H     14.06775779      7.39597641    -11.46279771
  H     18.62949444      8.12139738    -13.56403197
  O     11.22832556      9.02750721    -12.86093749
  H     15.25895868      6.43794861    -11.23274500
  H     17.37079932      8.96032850     -7.93891586
  O     16.92662933      6.57412484    -10.51014693
  H     14.75238031     11.54335046    -12.75159137
  H     15.98267138      8.85797483     -8.61088128
  O     12.47300024      6.62138876    -13.80527264
  H     15.09289598     10.07986832    -13.08574354
  H     15.84296777     10.73176632    -17.30167085
  O     19.51350649     11.60279307    -12.41997203
  H     17.97782180      7.59125693    -18.29101042
  H     16.22544597      9.36610542    -17.89144655
  O     18.31247062      7.83540883    -12.69284347
  H     16.85094999      7.30494013    -17.27465537
  H     13.89421161      9.69544580    -11.39285490
  O     16.93868969      8.89557220     -8.78675534
  H     18.42157860      8.50840937    -16.01578889
  H     12.49917304      9.03942413    -11.52616188
  O     15.55141162     10.05773126    -17.92811852
  H     19.01307668      9.72226698    -15.26595339
  H     14.26854349     13.67475951    -14.32045260
  O     13.29975686      9.04771549    -10.98698918
  H     14.78259834      6.17961764    -16.67494496
  H     15.03033254     12.39917054    -14.74739749
  O     14.30754792     12.73135621    -14.18748717
  H     15.94735986      6.15319910    -15.66934865
  H     14.02183649      9.46708613    -17.17718371
  O     13.32792741      9.20195290    -16.55451935
  H     16.11215790     10.62502468    -15.25604358
  H     13.13877748      8.26428815    -16.68004135
          69
 Energy    -248.09936094809058     
  O     16.70298513      9.43810506    -17.86103608
  H     15.94032744      9.99524402    -17.66000749
  H     18.65518090      6.42548836    -12.38197932
  O     15.49670823      6.50926101    -12.75160915
  H     17.46529459     10.04166379    -17.88568727
  H     21.86989353      9.12789874    -17.34873225
  O     18.26648233     14.28292386    -13.25277338
  H     15.67773543      6.15070215    -13.63298652
  H     20.69906711      9.00491474    -16.34189866
  O     19.99612488      8.79125743    -14.74511071
  H     16.32846376      6.43781785    -12.26844322
  H     17.02268626      7.58187818    -15.26377367
  O     14.90934796      7.10930950    -17.39698661
  H     18.33633070     13.67312257    -13.99948441
  H     17.10514754      8.85170680    -16.15903475
  O     17.21656856     12.00167868    -10.54259117
  H     17.35669675     14.20462075    -12.94033432
  H     14.94608785     11.49649520    -16.04496927
  O     15.37645690      9.11763388    -13.45058014
  H     20.05884247      9.46508795    -14.05569532
  H     14.27616918     11.93858195    -17.36648433
  O     18.26437635     12.03432789    -14.99282283
  H     19.05107734      8.69407338    -14.94606232
  H     17.78255659      8.45629828    -11.47109359
  O     19.59972927      6.17398203    -13.83673309
  H     14.28544280      7.61750860    -16.85572588
  H     16.73099366      9.35567673    -12.14964896
  O     18.79736136      5.17469690    -16.41378685
  H     15.47550731      7.76685990    -17.81138649
  H     13.93393168      8.88284349    -14.88490997
  O     16.29193149      5.89844010    -15.37186367
  H     17.28095450     11.05600244    -10.72695433
  H     13.71795913      9.68089835    -16.17807257
  O     18.13469727      6.63279889    -11.58608427
  H     18.11139635     12.35350506    -10.63043366
  H     20.41514236     13.64716814    -10.92435704
  O     20.91898051      9.13457327    -17.28115987
  H     15.21811641      8.23228261    -13.08613189
  H     19.29677795     13.60840822    -11.99550913
  O     17.29888662      8.50992483    -15.27691219
  H     16.07079428      8.99391864    -14.12012765
  H     18.88963859     10.24799428    -12.39536030
  O     14.65956662     11.18724658    -16.92009810
  H     18.74212132     11.55156867    -14.30481034
  H     19.81415531     11.49236592    -12.30808485
  O     17.51473503      9.37746422    -11.58673684
  H     17.32348538     11.88821402    -14.82840109
  H     16.17662360     12.96032190    -11.56500722
  O     13.49459050      8.84964716    -15.74068728
  H     19.37379912      5.72074139    -14.65701267
  H     15.04728808     14.00732947    -11.72384783
  O     19.76053589     13.07963494    -11.32140002
  H     19.91568239      7.04745138    -14.10488246
  H     19.60025659      7.93605466    -17.92256607
  O     19.59190687     10.73062614    -12.85602762
  H     19.06693413      4.40779267    -16.91263469
  H     18.08725618      7.94799354    -18.20044035
  O     15.69357302     13.50490557    -12.21274265
  H     18.81897819      5.92819764    -17.02935946
  H     15.36109244     10.86792190    -13.94284528
  O     18.83696614      7.36065293    -18.06495779
  H     15.74837451      6.18222633    -16.12406547
  H     15.48163304     12.39138568    -13.65213053
  O     15.51624934     11.72973169    -14.35504807
  H     17.07997750      5.47036516    -15.72644578
  H     18.71872756     11.48315514    -16.71712562
  O     18.83724264     11.07178169    -17.58459990
  H     18.45305584      6.05729706    -10.89519514
  H     19.64908992     10.55334256    -17.53935462
          69
 Energy    -248.09935853765211     
  O     -1.42000569      3.71393089      2.69088317
  H     -0.97843479      2.90888402      2.98659769
  H     -0.70018043      8.26051641      0.73877503
  O     -2.97400626      5.76206621     -0.66340656
  H     -2.11398084      3.47440481      2.06002450
  H      0.04518132      1.13328057      0.16141810
  O      4.42155859      6.47300504      1.39190896
  H     -2.90768790      6.43421447      0.02604278
  H      1.44359305      1.74936463      0.33351613
  O      1.81309054      7.05613096      2.23422468
  H     -2.10380162      5.74414129     -1.08944010
  H     -0.00600514      4.06042557     -2.26082941
  O     -0.36859088      5.63591824     -1.52608852
  H      5.28135580      6.88301140      1.36158363
  H     -0.34899014      2.56191563     -2.02917373
  O      2.18048428      3.39617606     -0.51609094
  H      4.12767207      6.35937091      0.46919416
  H      0.92547145      8.14584657     -1.02757283
  O      0.45617138      4.92906351      0.98450971
  H      2.75011185      6.91826561      2.04632068
  H      1.38495484      8.56231842     -2.44875109
  O     -2.39943295      7.64390731      1.39435049
  H      1.65766998      6.84941993      3.16512151
  H      2.60138716      3.67823303      3.33363231
  O     -1.44166632      1.64195385     -0.86974467
  H     -0.12166137      5.44809638     -0.60592913
  H      1.37410865      2.92634305      3.89415970
  O     -1.47671223      6.32233914      3.58248629
  H      0.14690019      6.40350318     -1.80035352
  H     -3.25148284      3.95923176     -3.39482348
  O     -3.14528974      3.29566725      0.61673239
  H      1.67947193      3.21889176     -1.32299207
  H     -3.75582818      4.73739147     -2.14779634
  O      0.20091747      8.49680620      0.49120312
  H      1.58958810      3.89905998      0.07060440
  H     -1.50790003      3.61319382     -5.37798184
  O      0.82243879      1.13340423      0.73578367
  H      0.91707380      5.64380833      1.44206794
  H     -1.01338295      3.42119965     -3.93795820
  O      0.21429523      3.15758415     -2.54449067
  H     -0.15437378      4.52011090      1.60946163
  H      0.13097856      0.68577264      3.80125902
  O      1.31723891      7.81721007     -1.85853744
  H     -3.00871303      8.31339193      1.69678320
  H      0.45925322      1.32201079      2.42979821
  O      1.93180629      3.69869014      4.03286865
  H     -2.07476523      7.18934943      2.19215606
  H      1.40983859      6.31985277      5.67083504
  O     -3.96794833      4.01185554     -2.74577981
  H     -2.24738638      1.30678017     -1.27815572
  H      1.40832169      5.24666910      4.55519278
  O     -1.78970510      3.65348286     -4.46724407
  H     -1.77314105      2.31368060     -0.25716453
  H      4.09086580      4.63188751      1.80586854
  O      0.18981977      1.52025184      3.34424499
  H     -1.56963206      5.38048192      3.37678381
  H      3.40613790      3.48462661      1.04811424
  O      1.13721892      6.15858665      4.77217377
  H     -0.65108901      6.38970944      4.07414836
  H     -5.04350612      1.20941791     -1.68422816
  O      3.73929521      3.73953727      1.91524641
  H     -3.14958227      4.16662161      0.19254117
  H     -4.20261893      2.47310936     -1.97948562
  O     -4.23634469      1.65633881     -1.44749811
  H     -3.69080871      2.71317894      0.07429042
  H      2.70272624      6.60551466     -1.38858013
  O      3.38489859      6.00920077     -1.05554442
  H      0.77614426      8.11101878      1.16767479
  H      3.01165336      5.12073453     -1.05013004
          69
 Energy    -248.09932614157057     
  O     16.21677589     10.19613232    -10.09528810
  H     15.91165076     10.06653677    -11.00543068
  H     11.07082170      8.59570119     -8.04901867
  O     18.51661707      4.41410253    -10.50350186
  H     16.89589477      9.52845600     -9.94510015
  H     16.33235385      8.08892802     -5.48015622
  O     14.35063993      6.32988551    -14.18920352
  H     18.95489970      4.90507520     -9.79728680
  H     16.98319103      7.88379929     -4.10549922
  O     13.34398383      6.85238206    -10.24856851
  H     18.29333370      5.06746094    -11.18016424
  H     16.53075121      5.97873389    -11.98462225
  O     16.64279411      7.78037780    -14.45535372
  H     13.70863421      6.95130582    -13.82142049
  H     17.30608967      6.90729062    -12.94621863
  O     16.19428304      3.12787022    -10.03195636
  H     14.52473870      5.69661460    -13.48054966
  H     14.34812417      5.56038969    -11.19516565
  O     15.32240311      9.60153118    -12.64063345
  H     12.67555276      6.36745124     -9.73920282
  H     15.26853162      4.30719173    -11.17714537
  O     15.46012450      4.51659564     -7.69722464
  H     14.11840216      6.99193437     -9.68152039
  H     14.75354840      9.56248984     -6.94515123
  O     17.82728034      7.88616517     -9.79699683
  H     15.82868355      7.24591283    -14.48140815
  H     14.13388236      8.36628238     -6.13176528
  O     15.47014270      7.10980870     -8.58840790
  H     16.92835374      7.89435585    -15.35749000
  H     11.04359202      6.38826832     -8.21785210
  O     12.70805440      7.42386681     -5.72375422
  H     17.07234158      3.52685589    -10.17660051
  H     11.98474338      5.21393152     -7.88599757
  O     10.52854563      8.05596347     -7.44633671
  H     16.28490857      2.19335804    -10.19807444
  H     14.43690048     11.79540409     -8.11396969
  O     17.03345272      7.60502797     -5.01652844
  H     15.85120584      9.10739908    -13.27715885
  H     15.07983654     10.63896104     -8.91606778
  O     17.38120871      6.42163794    -12.11652487
  H     14.44660618      9.19878070    -12.66400314
  H     17.62300677      6.14914250     -5.90890403
  O     14.96145020      5.03820582    -11.72717095
  H     15.68065449      3.95009678     -8.44638738
  H     17.08306125      4.96712670     -6.75140812
  O     14.96248863      8.76975079     -6.43708846
  H     15.49536079      5.43196703     -8.01809938
  H     13.92305974      4.54269813     -6.82482671
  O     11.53741006      5.65993280     -8.61641192
  H     17.71806457      7.45236787    -10.65603674
  H     12.92845486      3.91999701     -5.82000239
  O     14.40530751     10.85162141     -8.24325537
  H     18.49949813      7.38931027     -9.31463038
  H     12.65419653      8.56184717     -9.57193131
  O     17.89314704      5.40116091     -6.46213766
  H     15.30548666      7.68418929     -7.82883475
  H     12.92494157      9.90452406     -8.86493701
  O     13.04806536      4.65454971     -6.41667238
  H     16.29793070      7.39158822     -8.99941046
  H     18.99129257      5.83430867     -7.70834629
  O     12.21813970      9.31615071     -9.16117440
  H     12.83039320      6.47707432     -5.86483859
  H     20.43989305      6.18335524     -8.12744523
  O     19.55172358      6.09581377     -8.46176985
  H     11.90617229      7.66323325     -6.20457564
  H     12.00921391      8.63362888    -12.51707855
  O     12.83053637      8.15910466    -12.62518419
  H      9.69048824      8.50032208     -7.35429305
  H     12.98152452      7.67997165    -11.79432211
          69
 Energy    -248.09928270567929     
  O     12.38778502     10.34344895    -15.39629484
  H     13.01660142     11.07496857    -15.42248804
  H     15.70534264      5.53986311    -14.45794735
  O     15.92808800      6.38167646    -12.82210773
  H     12.76041135      9.63557844    -15.93766617
  H     16.91659458     10.80876817    -16.23588678
  O     17.40519182     10.51388452    -11.81040329
  H     15.25977496      6.53810642    -12.13965194
  H     17.54150702     12.18549702    -15.97562448
  O     19.20352946     12.58232587    -15.27534931
  H     16.75288780      6.78558599    -12.52023814
  H     14.51355629      8.47408902    -14.89091098
  O     12.63251540      5.66471637    -15.45999635
  H     17.36374970     10.67409910    -10.85958038
  H     15.33088909      7.84879244    -13.71563333
  O     14.53857115      9.86580585     -8.70207002
  H     16.57216448     10.82508897    -12.19072680
  H     10.28858675      9.77548032    -13.13461165
  O     13.94533180      7.13379221    -11.04085259
  H     20.06703756     12.85302566    -15.57710063
  H     11.61263536      9.81687327    -13.93173854
  O     14.95565643     11.08375289    -12.92960050
  H     19.34137768     11.75391314    -14.78906128
  H     17.88675228      7.67929228    -10.11787151
  O     16.17147286      7.00689118    -17.34982505
  H     11.95011132      5.04723418    -15.70791837
  H     17.55746470      8.76978949     -9.08039766
  O     15.06389804      7.04321306     -8.48213195
  H     12.39252742      6.01090295    -14.58100820
  H     11.67192326      7.65431604    -13.10521701
  O     17.34133927      9.02780339    -15.74878378
  H     13.97220784      9.94480759     -9.48155804
  H     12.63362473      6.73180134    -12.32859707
  O     15.46409805      5.30020553    -15.36313346
  H     14.58861281      8.92334116     -8.50080899
  H     18.66523981     10.36717446    -13.21063306
  O     16.72343969     11.75368154    -16.25794785
  H     14.24620630      6.98043499    -10.13680952
  H     18.65832361      9.68927450    -14.60649945
  O     15.10595399      8.67752756    -14.15666492
  H     13.74912925      8.07918021    -11.10862072
  H     17.77914873      8.76398307    -11.91982152
  O     11.19545534      9.48096261    -13.11816393
  H     14.73729184     11.71933172    -13.62000523
  H     18.90684350      7.98962631    -12.59157139
  O     17.56280558      7.81388144     -9.21933070
  H     14.97296858     10.21427259    -13.36573199
  H     17.36902905     11.27746573     -8.36321113
  O     12.02763232      6.75726962    -13.07956719
  H     16.43503417      6.52611126    -18.12962519
  H     16.17324156     10.44392805     -8.88596988
  O     19.23183594     10.11691620    -13.95373723
  H     15.99883418      6.34451203    -16.65552873
  H     13.83434791     10.38400612    -11.70940392
  O     18.15138652      7.87171523    -12.01508794
  H     15.09064634      6.44191753     -7.74310884
  H     12.42600834      9.76300067    -11.72956730
  O     17.11750189     10.63932875     -9.02518805
  H     15.98787570      7.23790723     -8.72209794
  H     15.17481724     12.22635792    -15.68789365
  O     13.21832392      9.85104585    -11.18578452
  H     16.61421875      8.96432369    -15.11236110
  H     14.13599847     13.36168763    -15.53639192
  O     14.31446690     12.45793327    -15.29168023
  H     17.14249649      8.36066507    -16.41529993
  H     14.46393320      7.81882913    -16.94967596
  O     13.65181617      8.07082162    -16.49277519
  H     14.49910633      5.27633410    -15.38109490
  H     13.21336873      7.24738231    -16.23629971
          69
 Energy    -248.09924148845556     
  O     14.79640399      9.43534076    -10.54292355
  H     14.67002836     10.17111500    -11.15397385
  H     14.69381041      4.33078289    -16.26217062
  O     13.81500714     11.16137892    -16.17116797
  H     13.91993812      9.07880054    -10.32351025
  H     16.29801455      4.24046973    -11.43359014
  O     17.18383192     10.60830363    -13.24794846
  H     13.35490871     10.53811667    -15.59543010
  H     17.63971427      4.98949854    -11.44740250
  O     12.85744301      5.07705482    -13.37531134
  H     13.91208787     11.97176297    -15.65529239
  H     12.16015825      7.73087106    -10.92646122
  O     16.41184916      7.67148896     -9.11706976
  H     17.66027806     10.38989174    -12.43602270
  H     12.89386349      7.29198058     -9.62420124
  O     17.02596008     12.61848077    -15.20640269
  H     16.25558745     10.74963189    -13.01852994
  H     18.47647500      7.58428681    -14.72012986
  O     15.40405138      7.31931707    -12.27439329
  H     13.36909405      4.83317010    -12.59102456
  H     19.86977576      6.92435665    -14.62527556
  O     14.47893156     11.12028825    -12.70962532
  H     13.44568001      4.94843834    -14.12766790
  H     15.44053996     13.20805572    -14.71888548
  O     18.02205698      6.98764233    -11.59557925
  H     15.93513800      8.38990287     -9.56332497
  H     14.37006980     14.28549176    -14.41498227
  O     18.45391467      9.70360405    -10.97001232
  H     17.05717031      7.34214676     -9.74899825
  H     12.36330662      8.74977550    -13.66990256
  O     17.21402394      4.60940741    -14.41623064
  H     16.91242740     12.05554271    -15.98151165
  H     13.62203645      8.71729541    -14.56012990
  O     14.78361078      4.90974014    -15.51043385
  H     17.26610717     12.01850275    -14.48605272
  H     16.26372287     10.75140381    -18.14761953
  O     17.22959554      4.14911030    -11.67805452
  H     15.17721175      7.44690870    -13.20250051
  H     15.37966739     10.77905209    -16.87986682
  O     12.51109618      8.04813983    -10.08511225
  H     15.12217626      8.09168145    -11.76745895
  H     10.59686992      7.17891680    -12.77590699
  O     18.98306982      6.88570344    -14.27415035
  H     13.90511885     10.50456013    -13.18948570
  H     11.98582167      6.53326284    -12.97391042
  O     14.51586323     13.34414998    -14.44443456
  H     14.41557968     11.96911133    -13.16310723
  H     14.07582669      5.85853677     -7.76035087
  O     12.95656609      9.31292261    -14.18025980
  H     17.09212275      7.09158567    -11.85977994
  H     14.98451329      6.63269979     -8.74030140
  O     16.29098038     10.65198877    -17.19969585
  H     18.51220247      6.90787355    -12.42391832
  H     14.83444334      5.75631373    -11.59624229
  O     11.53265564      7.35000902    -12.69935990
  H     18.19129029      9.80676009    -10.05629741
  H     14.35487592      5.14507607    -10.26499304
  O     14.16304186      6.11640408     -8.67443547
  H     18.41820880      8.75189161    -11.14360186
  H     14.87511027      6.71407224    -15.29753863
  O     14.56268837      4.92198703    -11.17997198
  H     17.86133296      5.32020394    -14.46790841
  H     15.80249901      7.98205852    -15.21684054
  O     14.92844935      7.63227086    -15.00240361
  H     17.22599713      4.30832585    -13.49590418
  H     17.13279259      9.41384722    -16.10294192
  O     17.40070651      8.87269266    -15.34927055
  H     15.66262680      4.73750038    -15.12468240
  H     17.36127050      9.45349337    -14.57192578
          69
 Energy    -248.09917458898417     
  O     -7.84782566     -3.16778587      5.58930800
  H     -8.53381715     -2.49401142      5.50499867
  H     -4.20607433      0.86454795      2.12647095
  O     -9.20737084     -2.32091059      2.51524106
  H     -7.08163620     -2.73679424      5.98952288
  H     -6.35225883     -1.08177053      2.74207126
  O     -7.38351321     -4.35896484      3.22091058
  H     -9.52619666     -1.97043550      3.35777057
  H     -7.88521737     -0.98543916      2.78590376
  O     -5.00150639      0.93172660      0.44435949
  H     -8.68617976     -3.11008649      2.71243452
  H     -4.96620906     -1.70075222      5.77572327
  O     -7.13039120      0.35560542      5.56575844
  H     -7.51125964     -4.00595059      4.12130827
  H     -5.02559124     -1.91171786      7.30908503
  O     -5.12178072      5.40208538      1.83931748
  H     -7.49924350     -5.30364354      3.27433313
  H     -2.41556129      3.56239490      3.27734008
  O     -9.87068300      1.11730551      0.33273114
  H     -5.19570768      0.06239383      0.07673892
  H     -0.97655554      3.11384813      2.91824045
  O     -4.03118458     -1.52535062      4.33525507
  H     -5.86163287      1.31771482      0.67051570
  H    -10.06756454      4.08069032      4.52786300
  O     -3.71254285      3.46388097      0.54744748
  H     -6.59948948     -0.29532995      6.04334273
  H     -8.90378371      3.75830512      3.58170984
  O     -9.59635266     -0.95196256      4.95331241
  H     -7.09815514      0.09282386      4.63127514
  H    -10.33935646      1.80285649      3.42101639
  O     -5.96198964     -1.63453335     -0.39063075
  H     -5.06286566      6.22265488      1.35753572
  H    -10.47240778      0.85105174      2.22018053
  O     -3.81047970      0.93387041      3.00576632
  H     -4.65539862      4.73114566      1.30928307
  H     -5.53573469     -2.42026801      1.25961565
  O     -7.07796206     -0.47003525      2.91201287
  H     -9.01684843      1.45799334      0.65060600
  H     -6.04033359     -3.30701429      2.44693983
  O     -5.56828460     -1.76286347      6.53993279
  H    -10.28893862      1.82895488     -0.14537406
  H     -8.93947512     -1.82072146      0.76464014
  O     -1.89449990      2.96678818      2.70891571
  H     -3.84655475     -0.65583377      3.95669923
  H     -9.12505048     -0.56457657     -0.09296028
  O     -9.81813022      3.52051088      3.79613774
  H     -4.35581019     -2.05874151      3.59701881
  H     -4.24980288      3.87402990      4.53596838
  O    -10.54569455      0.88859845      3.17861562
  H     -2.97423461      3.29213054      1.14557559
  H     -4.12863964      4.95971345      3.44941412
  O     -5.39407621     -2.63566823      2.19006197
  H     -4.09983832      2.60199763      0.34849096
  H     -4.93044840      1.87959482      4.11723588
  O     -8.64354193     -1.39979755     -0.05440770
  H     -8.87111430     -0.44319143      5.33788097
  H     -6.06056522      1.81507407      5.17428017
  O     -3.62990558      4.49850994      4.13543979
  H    -10.06417516     -0.31793811      4.38424466
  H     -7.37000798      2.58288021      1.94756307
  O     -5.48042196      2.42378485      4.69954971
  H     -6.92734410     -1.53378513     -0.30207786
  H     -7.34288505      1.02057635      1.97151517
  O     -7.43663970      1.79507503      1.39380398
  H     -5.80757273     -2.03828498     -1.24080544
  H     -6.59923374      3.44282461      3.73360881
  O     -7.14511553      3.95120204      3.11465679
  H     -3.04794248      1.52048710      2.92372600
  H     -6.55195465      4.55728416      2.65386910
          69
 Energy    -248.09906520348261     
  O     14.87551707     13.44915257    -15.83776356
  H     15.37310172     12.86896592    -15.23790595
  H     16.74372949      9.23009010    -17.29751545
  O     16.99161789      7.56744262    -16.41552242
  H     14.53674588     12.87684011    -16.53759656
  H     13.77096806     11.28528324    -18.46336485
  O     14.91273892     10.50649596    -11.13850192
  H     16.21003517      7.42703112    -15.85339526
  H     15.07951839     10.91947124    -17.71680719
  O     18.38232944     15.46369597    -14.59704864
  H     17.16414660      6.73898278    -16.85638837
  H     18.03415323     13.21449652    -12.34167058
  O     14.84488617      7.44930977    -14.74257082
  H     14.76242384      9.76119064    -10.54720961
  H     18.95568627     12.61351289    -13.43064096
  O     14.62627450      7.84563045    -10.16777536
  H     14.11787197     10.59499498    -11.68576367
  H     13.36062222     13.89028128    -12.91374115
  O     16.15492128     11.64423506    -14.20070802
  H     19.06904159     16.11510758    -14.48577116
  H     13.38581049     13.39209906    -14.36700791
  O     12.71753438     10.64277895    -12.83248862
  H     18.56566275     14.74817032    -13.96107338
  H     17.82767034      8.38919101    -13.44716457
  O     16.20194021      8.26134046    -12.42531641
  H     14.08884489      6.91482836    -14.46127239
  H     18.08145500      8.15314735    -14.94771026
  O     18.86250162     11.18198453    -14.61108092
  H     14.51504366      8.33920166    -14.94174151
  H     11.87805016      5.63343855    -13.84984206
  O     14.13043030     10.04317812    -15.14513592
  H     15.24896578      7.77315871    -10.90991898
  H     12.41789625      6.82590846    -13.04069848
  O     16.58746031     10.08755965    -17.71073273
  H     14.95899143      7.28072727     -9.47511918
  H     14.92853980     15.34312741    -12.71385137
  O     14.22036350     11.37372773    -17.62768213
  H     16.15528940     12.05883741    -13.32807694
  H     14.28059361     15.71543139    -11.35603600
  O     18.79385713     13.40990965    -12.90562580
  H     17.07617222     11.45311361    -14.41936484
  H     16.61745842     13.86658482    -16.65812629
  O     12.91474841     13.29918470    -13.53346566
  H     12.62379212     11.59666323    -12.96851168
  H     17.90796544     14.52281192    -16.13380319
  O     18.47640752      8.52403624    -14.14924952
  H     13.08237901     10.31362958    -13.66588110
  H     15.70742939     13.54949558    -11.62999138
  O     12.63695086      6.20157245    -13.75374453
  H     15.70344965      7.94589489    -13.19332778
  H     15.86473857     12.02886168    -11.30792402
  O     14.54419621     14.97595691    -11.89659372
  H     15.90019360      9.15695918    -12.22605494
  H     12.24693729      8.96517340    -12.07583635
  O     17.55674963     13.96881693    -16.84375443
  H     19.00798246     11.29642863    -15.55735720
  H     12.94862527      7.95849698    -11.13234174
  O     16.31930556     12.80326147    -11.67031658
  H     18.84793144     10.23113341    -14.42251924
  H     16.54707551     15.73596348    -14.36347519
  O     12.23570416      8.04677076    -11.77601817
  H     14.87934302     10.53894793    -14.77697315
  H     15.26174021     15.08448903    -14.91650011
  O     15.58583186     15.72304224    -14.26923021
  H     13.96820201     10.41497317    -16.01905007
  H     18.44351121     12.54297078    -17.25016607
  O     18.89761251     11.69149259    -17.38856555
  H     17.41433116     10.58138877    -17.64935040
  H     19.60834080     11.85252019    -18.00310859
          69
 Energy    -248.09905856694837     
  O     10.60428755     10.33275538    -12.40819422
  H     10.26468487      9.93135064    -13.21863596
  H     16.47887274      7.56697028    -17.03120248
  O     14.03290163      7.51297823    -15.09076858
  H     11.34324699     10.88980441    -12.68132351
  H     15.44896833     13.69041445    -14.77546855
  O     16.65357923      9.51166731    -10.09583211
  H     13.73270732      6.88889533    -14.41794152
  H     16.07663833     12.33333821    -14.38945913
  O     18.78021070     10.00108260    -16.07442098
  H     14.75225484      8.03011528    -14.69417012
  H     16.69347485      8.38840528    -13.50779161
  O     12.44909417      9.67661563    -15.59634360
  H     15.85834727      9.83120462    -10.54651661
  H     16.44792268      9.79312721    -14.09971221
  O     16.08735692      6.71272180    -10.75856803
  H     16.55811321      8.55342398    -10.05859960
  H     10.05345364      8.33539014    -10.00089981
  O     13.28717965      5.86504658    -12.97463793
  H     18.09123740      9.76659275    -16.71546704
  H     10.67186499      9.03253754    -11.23618514
  O     14.49323248      9.98806537    -11.80127700
  H     19.34365580      9.23314413    -16.00620110
  H     17.46439131      7.30177825    -11.87704995
  O     16.68141133      9.34621845    -17.77899242
  H     11.52743858      9.43306177    -15.45242014
  H     18.44847926      8.42906640    -12.29995673
  O     15.70649816      4.47763466    -12.49238809
  H     12.96860381      8.86842823    -15.46008942
  H     11.44713091      6.27695550    -13.19223805
  O     17.51618228     11.33914792    -14.05857401
  H     16.02650705      5.86801248    -11.22415979
  H     10.54498537      7.11004062    -12.26265513
  O     16.27345562      6.73506307    -16.59152818
  H     15.17013312      7.00251538    -10.65224312
  H     17.98991865     10.06561701    -11.06704729
  O     15.24588811     12.76670804    -14.64792633
  H     14.03409573      5.26500349    -12.86219795
  H     19.44634491     10.56733552    -11.21297866
  O     16.00775728      8.96865706    -13.86310496
  H     13.32851410      6.48671952    -12.23267186
  H     17.05873851      5.89144237    -15.18286582
  O     10.70044929      8.22460255    -10.69222223
  H     13.88851256     10.58542303    -12.25674330
  H     17.81050786      6.19821946    -13.85626658
  O     18.06275518      7.59164733    -12.58226035
  H     15.03363041      9.58742746    -12.49895531
  H     14.87045646     11.59685451    -16.14029206
  O     10.59672729      6.73223112    -13.14965989
  H     16.62707447      9.39356683    -18.73026175
  H     13.85082736     10.49913856    -16.50320156
  O     18.69454466     10.25817173    -11.71183749
  H     15.95005637      9.88814937    -17.43295781
  H     12.50466001      7.77338501    -10.62290211
  O     17.36640631      5.49985524    -14.35246261
  H     16.29048328      4.78102698    -13.21157558
  H     13.74876812      8.51033360    -11.16226976
  O     14.69528170     10.88749842    -16.76823910
  H     15.87704393      3.54708633    -12.37500805
  H     12.77053685     10.86575113    -14.24815226
  O     13.43743089      7.65183682    -10.83723778
  H     17.94138099     11.07785935    -13.23203837
  H     13.65919340     12.06448490    -13.84943958
  O     12.94424629     11.49893897    -13.53449967
  H     18.04493706     10.97194226    -14.78452762
  H      9.07810089      8.65055120    -15.17323337
  O      9.91123495      8.82316731    -14.74336174
  H     15.39415507      6.86756479    -16.21105980
  H     10.14283030      8.01821753    -14.24561253
          69
 Energy    -248.09899256416810     
  O      1.30535928     -1.15473993      5.29004959
  H      1.90115287     -1.28103741      6.02516926
  H     -5.61674443      0.22691304      3.59907072
  O      1.38089266     -0.37319008     -2.47523582
  H      0.98765854     -0.23624856      5.35170382
  H     -1.14604503      2.11437807      0.24979705
  O     -1.36605980     -2.09932470      5.91909629
  H      0.72347803      0.11775679     -1.96677844
  H     -1.39074450      3.63012123      0.09620641
  O     -0.37361371      0.63052114     -0.43580830
  H      1.09911802     -1.29671809     -2.43602247
  H     -2.45757907     -0.70834011      5.69121766
  O      0.63526594     -3.05812035     -1.84714029
  H     -1.68618074     -2.79906189      5.33602361
  H     -2.74429997      0.84398802      5.62763340
  O      2.59903107     -2.87006995      0.03955386
  H     -0.45684344     -1.90711304      5.66272433
  H      1.05308231      1.51425337      2.17714147
  O     -3.12903443      2.93122240      3.06134338
  H      0.41457213      0.51547926      0.11484967
  H     -0.14419652      2.49927513      2.07195411
  O     -4.47002207     -2.54602574      2.88822380
  H     -0.84158262     -0.21541147     -0.42429455
  H     -0.96713273      0.61628128      2.91022051
  O      0.41021882      1.41696084      5.37337399
  H      1.31651999     -3.07213751     -1.15118720
  H     -2.11410017     -0.05163484      3.73442802
  O      3.64052931     -0.37803566     -0.95411537
  H      0.72125535     -3.87433142     -2.33257594
  H     -1.30327442     -2.28466446      0.49402270
  O     -5.25360490      1.33714379      2.01338784
  H      2.41898957     -2.71414822      0.97487285
  H     -0.88577221     -2.37550360     -0.98921480
  O     -5.57860664     -0.43998090      4.29361886
  H      3.11241308     -2.11023178     -0.26259217
  H      0.84090081     -2.33742537      2.43936906
  O     -1.40524153      2.91787100      0.73118040
  H     -2.57570407      2.97273931      2.27318503
  H      1.71779389     -1.73406400      3.55160177
  O     -3.02830274     -0.02211386      5.31301862
  H     -3.91898191      2.44598453      2.79128423
  H     -2.50700097      3.34645635      6.15459313
  O      0.38995622      1.99361886      2.69494889
  H     -4.20943469     -2.02233390      2.12366500
  H     -2.50360409      2.78098494      4.71671142
  O     -1.61473230     -0.09539892      2.90685986
  H     -4.97024403     -1.93436091      3.44853411
  H      1.88690299     -0.46669330      1.67815000
  O     -1.50073948     -1.93687068     -0.38935421
  H      0.54091104      1.72718690      4.46492548
  H      2.62816667      0.21706203      0.49532426
  O      1.72911679     -1.99416883      2.62190382
  H     -0.41799109      1.82620350      5.64655066
  H     -3.25802840     -3.49082145      3.66543417
  O     -2.18276131      2.62444411      5.62282002
  H      2.90523321     -0.33065196     -1.59127217
  H     -2.80409318     -4.84945289      4.25184842
  O      1.93285567      0.34457736      1.15091142
  H      4.42457702     -0.08655396     -1.41066000
  H     -1.11775179     -1.74406791      2.52216735
  O     -2.49796413     -3.97118742      4.04439954
  H     -4.72936296      0.66778679      1.54251302
  H     -1.37935414     -3.24938997      2.78658454
  O     -0.89360790     -2.63935219      2.21845339
  H     -5.98158003      1.56494819      1.44002806
  H     -3.05769549     -1.04709773      0.30017004
  O     -3.54273576     -0.55898773      0.97505758
  H     -4.74039466     -0.28275592      4.75448943
  H     -2.88186282     -0.31078822      1.64179213
          69
 Ord_Energy   -248.098907    
 O    1.57483113       2.28351855       5.17493677    
 H    2.07659245       1.52999127       5.52587891    
 H    1.29061186       2.00924563       4.29564381    
 O  -0.110872187     -0.194782078       8.54081440    
 H   -2.44355109E-02  0.720237195       8.21765518    
 H  -0.910320640     -0.228032604       9.05923653    
 O    5.67485905       2.10425138       4.20869827    
 H    6.47107220       1.85375381       3.72348452    
 H    5.82097960       1.84522426       5.13099670    
 O   0.367720455       2.34424472       7.70091772    
 H   0.653444052       2.42247057       6.78065777    
 H    1.10451889       2.66365504       8.23570824    
 O    4.89839649      -3.29655600       7.40243292    
 H    4.08032084      -3.48378086       6.90723896    
 H    5.06785822      -4.05617571       7.95273352    
 O    7.97586155     -0.228338778       5.58845091    
 H    7.49565029      0.403175980       6.13895655    
 H    8.09307003      0.204444736       4.73494101    
 O    2.97164845       1.26489596E-02   5.83487797    
 H    3.62547708     -0.185433894       6.51605463    
 H    3.38811231      -6.47256225E-02   4.96772194    
 O    7.96262693       1.04614699       2.97492671    
 H    8.69729424       1.46802700       2.53664875    
 H    7.75847340      0.243533358       2.46560884    
 O    2.68157792      -3.55566335       3.10971975    
 H    3.53591061      -3.12096834       2.94947863    
 H    2.63874745      -4.30146503       2.51633191    
 O    5.02457428      -2.16713262       2.82096815    
 H    4.61227179      -1.29199338       2.89080811    
 H    5.51546144      -2.32793450       3.64608121    
 O    3.88340759      0.272197574       3.19864082    
 H    4.46354818      0.998454869       3.46829653    
 H    3.03616071      0.633146346       2.91147685    
 O    2.58357668      0.118354328       9.53695583    
 H    2.61871076       1.08319163       9.54033756    
 H    1.68659902     -0.110279001       9.26608181    
 O   0.808013201      -1.61172545       6.28764868    
 H   0.370603770      -1.24113536       7.06178188    
 H    1.57855797      -1.04364955       6.12401247    
 O    2.65130210       2.98183727       9.32658863    
 H    2.58907962       3.54702663       10.0937824    
 H    3.41743827       3.29038835       8.81887627    
 O    4.80612183       3.89092088       7.81607437    
 H    5.34222698       4.66661167       7.95988226    
 H    4.43408537       3.97018504       6.91772890    
 O    7.38465357      -1.27982211       1.64236557    
 H    6.53956318      -1.63649178       1.95746303    
 H    7.96313095      -2.03442454       1.55417967    
 O    3.84380198       3.93406963       5.30890942    
 H    4.47637558       3.43144703       4.77836990    
 H    2.99541855       3.47918010       5.22010326    
 O    1.20503247       1.00698650       2.66706872    
 H   0.721395969       1.20151222       1.86925006    
 H   0.956859112      0.102247238       2.93374062    
 O    6.14137936       1.50235331       6.91051149    
 H    5.68598509      0.755062699       7.32886028    
 H    5.79288435       2.30000567       7.32182169    
 O   0.689353466      -1.51745105       3.48777628    
 H   0.538001597      -1.58098960       4.44074202    
 H    1.31882596      -2.21706080       3.27574396    
 O    6.40057373      -2.48228407       5.10748625    
 H    5.99122143      -2.78806877       5.92353058    
 H    6.99239302      -1.75165880       5.33640051    
 O    4.68055296     -0.569502652       7.93645906    
 H    4.80115318      -1.52294970       7.84782743    
 H    3.97748184     -0.405958623       8.58418655    
 O    2.63768649      -3.71167994       5.97920942    
 H    1.92058241      -3.09738398       6.18685770    
 H    2.67344904      -3.75523281       5.01671648    
          69
 Energy    -248.09876654935681     
  O     -6.05326550      2.94371289     -1.47236806
  H     -5.32446762      2.60581180     -0.92551795
  H     -1.81690049      1.72946445      2.88240727
  O     -2.67883103      3.41403721     -3.13779130
  H     -5.73996606      3.78833687     -1.81931361
  H     -2.21157746      4.32094563      0.43504940
  O     -7.15017113      2.78634382      1.12320991
  H     -1.76784984      3.43124804     -2.81314620
  H     -1.14626299      3.49049949     -0.38517098
  O     -0.74617742      0.24156829     -1.92591412
  H     -2.94361511      2.48954977     -3.12427468
  H      1.83990080     -0.91017493     -0.11143712
  O     -3.45293510      0.60152316     -2.46587878
  H     -6.98008496      2.91025178      0.18078804
  H      1.70827124     -0.28563015      1.28877793
  O     -3.62572160     -1.43521147     -0.34360096
  H     -7.34966624      1.84923142      1.23637764
  H      2.11996027      1.73853372      2.87338728
  O     -0.20201895      3.00425082     -1.87318561
  H     -1.62270905      0.25849074     -2.32793816
  H      0.72275677      1.54155479      2.24739226
  O     -1.17632228     -0.64170521      0.68156274
  H     -0.87451843     -0.03269364     -1.00502203
  H     -6.77553502      0.77537162     -3.77758966
  O      2.00081157     -0.18329330     -1.90316794
  H     -4.33808545      0.53750530     -2.84392099
  H     -6.26256530      1.51939965     -2.51905980
  O     -7.45157740     -0.03976180      1.34342302
  H     -3.54718945      1.07816145     -1.62192936
  H     -3.94176550      1.23413261      3.07415850
  O     -4.67499241      0.07329531      1.82710679
  H     -2.75399570     -1.34934512      0.07268179
  H     -3.99811136      2.76546536      3.19642295
  O     -1.05321074      1.66405638      2.29301734
  H     -3.56575901     -0.90878656     -1.14888707
  H     -5.54735045     -1.50561786     -0.71808690
  O     -1.67098678      3.51746470      0.42419677
  H     -0.41270091      2.06169131     -1.93175752
  H     -6.41979549     -0.64971095     -1.66684489
  O      1.52551766     -1.08903348      0.78313025
  H      0.68417645      3.02691678     -1.48364147
  H     -4.13229142      1.39180564      0.63090639
  O      1.67603084      1.45680527      2.07725199
  H     -0.27457728     -0.98550020      0.76779785
  H     -3.14478945      2.49870061      0.11550808
  O     -6.20602244      0.68581398     -3.01778183
  H     -1.23777033      0.11880451      1.27472326
  H     -4.03024616      5.40885808     -0.41103588
  O     -3.50166096      1.99100319      3.48553931
  H      2.36527844     -0.54841259     -2.70567208
  H     -4.18880397      5.04430684      1.09443832
  O     -6.45326274     -1.22080636     -0.88962321
  H      1.04583978     -0.08602631     -2.05026966
  H     -4.60799814      5.93580690     -2.83212778
  O     -3.88695777      1.93163432     -0.12987086
  H     -7.19417126     -0.49107793      0.52004845
  H     -3.87518684      4.59226789     -2.60725053
  O     -3.58780220      5.43320392      0.44498948
  H     -8.12672273     -0.57452550      1.75294756
  H     -5.90552021      3.65825564      2.01999731
  O     -4.58628061      5.16599855     -2.26975398
  H     -4.33513720     -0.56640102      1.18840210
  H     -5.58743024      4.69204896      3.12025417
  O     -5.18211226      4.14438720      2.45118867
  H     -5.63845318      0.02065776      1.79272045
  H      2.04846594      2.17499262      0.31958170
  O      2.16313997      2.40100332     -0.61159057
  H     -1.17318891      2.37480941      1.64370372
  H      2.29209890      1.55968921     -1.06698596
          69
 Energy    -248.09865275837527     
  O     -4.93553386      3.33321917      2.42633194
  H     -5.69155547      2.97191821      2.88302921
  H      2.44395880      3.00791684      2.94423599
  O     -3.00773453     -2.72744305      0.73162033
  H     -4.47990707      2.58486911      2.00491330
  H     -5.24879905      2.99366256     -2.97783461
  O     -1.96057746      4.25307526     -2.42654832
  H     -2.92726443     -2.49009984     -0.20413636
  H     -4.21018854      2.30613800     -2.06452539
  O     -3.16300855      0.92092916     -1.58687528
  H     -3.06758804     -3.67938435      0.76057780
  H      0.21870959     -0.79727616     -0.70072779
  O      1.86099555     -0.26927208      3.59314970
  H     -1.90255257      4.82586757     -1.64982913
  H     -0.18076075      0.05239801     -1.92494615
  O      0.65041306      5.59123276      2.94667232
  H     -2.89387889      4.02736748     -2.50723858
  H     -0.79089855      2.31775326      4.20422386
  O     -1.39068981      3.21709282      1.23923260
  H     -3.12586184     -0.03149777     -1.72870069
  H     -0.89336122      3.23713467      2.95302101
  O     -0.81034182      0.53631688      4.41054433
  H     -2.26408445      1.25951425     -1.72012606
  H     -2.26242374      6.32682406      2.96045850
  O     -2.60978460     -1.85131747     -1.90983100
  H      2.05943732      0.68484079      3.61545432
  H     -2.07012511      7.85176804      2.77968170
  O     -1.90472960     -0.59404369      2.08386549
  H      2.55306653     -0.70573905      4.08203297
  H     -3.49355302      1.22642576      0.18613107
  O      0.66934975     -0.23542049      1.04208419
  H     -0.07151600      6.19525731      2.73668129
  H     -3.00230471      0.68302517      1.55398186
  O      2.11875493      2.41890687      3.63475519
  H      0.25102533      4.88974835      3.47599561
  H     -2.27972336      4.32878356      4.03544543
  O     -4.65856679      3.14831576     -2.24408152
  H     -2.13104702      2.60361265      1.16377247
  H     -3.66223316      4.42625378      3.35401876
  O     -0.14059465     -0.85561150     -1.59583556
  H     -1.65095160      4.05419874      0.83123742
  H      0.05582248      2.09908688     -1.36443015
  O     -0.66247776      3.22775370      3.89624141
  H      0.07800096      0.17459555      4.30969289
  H     -0.97752518      2.75445858     -2.31024401
  O     -1.77065839      7.00442053      2.46163130
  H     -1.33325959      0.09879929      3.72503496
  H     -4.88349779      4.27239308     -0.71854257
  O     -3.49955217      1.40155362      1.13565826
  H     -2.67305928     -2.30863380     -2.74404501
  H     -4.98054385      4.38537217      0.82688474
  O     -2.97431076      4.94921167      3.78346537
  H     -1.67994635     -1.56967829     -1.81289488
  H      1.63586319      3.01803352      0.51723116
  O     -0.58965838      1.90285693     -2.05717339
  H     -2.29194583     -1.40024279      1.71622149
  H      0.12680288      2.69427607      0.56820069
  O     -4.80721499      4.88787937      0.02174531
  H     -1.03151842     -0.48255907      1.68131238
  H      3.31737475      4.86715268      1.32809394
  O      0.97326841      2.39736958      0.19523293
  H      1.14826154     -0.37756217      1.86816029
  H      1.91561882      4.84880816      1.98179673
  O      2.58048032      4.29749762      1.53096386
  H      0.85453355      0.67569462      0.77057360
  H     -3.13273256      5.45230949      0.04121464
  O     -2.17173055      5.59445633      0.05643744
  H      1.22149417      2.71738749      3.82709658
  H     -1.99015009      6.21768198      0.76891743
          69
 Energy    -248.09861529552370     
  O     17.22770519     12.00308539    -18.39797267
  H     17.40478600     11.44023417    -19.14735804
  H     18.84064709     13.62357506    -16.66099210
  O     18.62999157     17.76200766    -14.23442822
  H     18.07583095     12.40113656    -18.13902594
  H     13.41047456     13.08402966    -11.76457039
  O     16.17228628     15.28988950    -11.93419720
  H     18.40577071     18.45576116    -13.59820604
  H     14.13801382     13.27465046    -13.11754057
  O     14.45400946     15.64363161    -16.46624388
  H     17.83338530     17.23157835    -14.37811708
  H     21.27352423     16.17823766    -13.68492427
  O     16.56091795     11.55668090    -11.83402660
  H     16.25506379     15.59944226    -12.84663770
  H     19.86242861     16.75335859    -13.40005073
  O     14.03646345     13.32024919    -14.83414339
  H     15.44041635     14.66019027    -11.92147842
  H     17.52384941     14.22768296    -11.33295566
  O     21.49153396     13.36580818    -15.58392058
  H     13.79092474     16.17215250    -16.90184537
  H     18.86855503     14.28027353    -10.58500757
  O     22.29516445     15.93337236    -15.23411685
  H     15.05940602     15.32605463    -17.16002777
  H     16.43430486     11.00108099    -15.27717097
  O     17.52784270     17.32689088    -10.52635430
  H     15.73883244     12.05660994    -11.90953176
  H     16.39917158     11.62398844    -16.72557714
  O     19.81389546     13.48674953    -13.28756283
  H     17.19362618     12.15088367    -11.41239491
  H     20.86144725     16.79777704    -16.18607708
  O     16.22827348     14.75649643    -18.32081368
  H     14.65866948     12.68750693    -15.22115501
  H     19.54022499     17.49295898    -15.79900535
  O     19.36224707     13.47298571    -17.46746961
  H     14.08301061     14.11121206    -15.38232143
  H     17.75277889     18.75307870    -11.55101425
  O     14.26537415     13.25133903    -12.15153645
  H     20.86853749     13.29162908    -16.31835283
  H     17.51648928     20.24144897    -11.86366278
  O     20.55953680     16.18738612    -13.03575141
  H     20.98826128     13.17628892    -14.78096262
  H     20.26870973     16.00207216    -11.26679319
  O     18.24522289     13.67200526    -10.99874771
  H     22.08354750     14.99736341    -15.40104307
  H     20.74473178     16.00425441     -9.79708606
  O     16.06145532     11.70831767    -15.82697592
  H     23.22827734     16.03929846    -15.39733562
  H     17.57815229      9.21211182    -13.72819376
  O     20.04911618     17.16396749    -16.55297495
  H     16.94754766     16.66865508    -10.93210856
  H     16.95265440     10.51377877    -13.19550586
  O     17.92545412     19.45170886    -12.20558180
  H     18.35542951     16.86882138    -10.33993023
  H     18.47847111     13.54215594    -14.48672652
  O     19.98920660     15.82870031    -10.35224830
  H     20.08612674     14.41478025    -13.23980716
  H     17.21961790     13.01988962    -15.28152939
  O     17.14020853     10.01081798    -14.00728121
  H     19.30465889     13.33216336    -12.48178648
  H     19.22859907     16.44228727    -17.87510598
  O     17.85180205     13.74536311    -15.19428548
  H     17.06378601     15.23052853    -18.41957291
  H     19.05974787     16.43572350    -19.41065088
  O     18.81523529     15.96556866    -18.61813247
  H     16.43817723     13.82096168    -18.41372220
  H     17.01032237     15.24677927    -14.84436804
  O     16.51152330     16.04285772    -14.60075513
  H     19.31826829     14.29887902    -17.96622023
  H     15.74568149     16.06765056    -15.18513132
          69
 Energy    -248.09855811582088     
  O     11.88157324     10.19430609    -14.17551156
  H     12.09481404     11.10785188    -13.94761474
  H     15.69818239      6.52246721    -15.50552443
  O     15.55456699      6.93936076    -13.76651193
  H     12.35776353     10.04429195    -15.00601262
  H     18.59632613      8.23957923    -14.65586749
  O     17.14456776     10.32694657    -11.00880628
  H     16.19711347      7.08498560    -13.05932263
  H     18.43122883      7.96916533    -13.12733839
  O     17.29312457     11.65770960    -14.84867945
  H     14.70156167      6.81008975    -13.33195341
  H     15.79614072     12.68666772    -15.29412751
  O     12.98938104      7.05144219    -17.01157252
  H     17.88770436     10.64518178    -11.53470576
  H     14.84699577     12.57269370    -16.49629132
  O     13.92691822      8.40882851     -9.13214378
  H     16.33835345     10.68535970    -11.41193453
  H     15.53621086      8.68471401    -14.27213771
  O     13.27498055      6.70371423    -12.20368855
  H     16.71953976     10.88277782    -14.73104953
  H     14.78123467      9.68569453    -15.18504436
  O     14.84137977     11.10194006    -12.27391761
  H     17.97511057     11.59528580    -14.17201323
  H     12.21351684      6.93260564    -13.75971267
  O     17.40425361     10.51271347    -17.38854322
  H     12.40863079      6.58924432    -17.61015581
  H     11.64780384      8.22703025    -14.38223305
  O     15.18668798      6.24226592    -10.11585771
  H     12.55257663      7.04652134    -16.14044570
  H     20.09977459     11.23366449    -12.74454482
  O     18.09837991      7.89182896    -16.48770360
  H     13.37035913      8.82159618     -9.80150791
  H     19.17081034     10.08672798    -13.21539528
  O     15.75951272      6.53272651    -16.47317144
  H     14.56761275      9.07502703     -8.84199541
  H     17.16440166      8.48725951    -11.36648071
  O     18.92787145      8.47524577    -13.78101935
  H     13.08715664      7.62020529    -11.94825778
  H     16.62099959      7.06991570    -11.04489637
  O     14.92582591     12.95892248    -15.61719721
  H     13.82508145      6.34260214    -11.49863512
  H     16.47661348     10.27820848     -9.31942092
  O     15.45067361      9.61995723    -14.49193048
  H     15.03341484     10.55586403    -13.05382662
  H     16.25180035     10.89399039     -7.92906515
  O     11.82478291      7.29680153    -14.56519838
  H     14.26703998     11.81076763    -12.58597329
  H     14.95387538     11.76039387    -18.96954832
  O     19.18392237     10.99030164    -12.84722810
  H     17.54184939     11.02298674    -16.57830226
  H     15.84508821     11.06847982    -17.91020905
  O     17.19351792      7.56230136    -11.64770182
  H     17.64041677      9.60554837    -17.16053903
  H     13.55922048      9.94205235    -11.65896873
  O     15.95073635     10.19882244     -8.50853855
  H     15.24589735      5.54914314     -9.46391120
  H     12.27816786      9.59043740    -12.39992986
  O     14.95203609     11.42070027    -18.07911586
  H     14.74401732      6.99701574     -9.68485831
  H     13.68120517     12.88130897    -14.39810872
  O     12.77716528      9.37495668    -11.60198778
  H     17.25727350      7.40547128    -16.54647671
  H     12.66810320     13.63729629    -13.50718138
  O     13.04818113     12.77718829    -13.66452022
  H     18.74242752      7.37371444    -16.96519978
  H     13.88214375     10.29768264    -17.11084234
  O     13.45506543      9.75083641    -16.43910573
  H     14.85583947      6.65181637    -16.78329313
  H     13.33269090      8.86220894    -16.79717070
          69
 Energy    -248.09852116734606     
  O     16.35746159     11.00744987     -9.36761169
  H     16.83132278     11.37712062     -8.62759341
  H     14.26090814      6.59768990    -15.15105532
  O     12.06054669      6.51578802    -11.78252008
  H     16.83246836     10.19842199     -9.63023507
  H     16.52966362      5.86180054    -14.51161546
  O     17.20672901     10.04594286    -15.08780658
  H     12.53830613      5.86675819    -12.31038074
  H     18.08416744      5.73368623    -14.54597695
  O     17.60273839      8.38680522    -12.88812678
  H     12.65074586      6.74948453    -11.05059493
  H     14.64493373      8.07186906    -11.58261554
  O     16.72495617     12.64251796    -14.12872582
  H     16.34285400      9.86017777    -15.47925293
  H     15.84415048      8.48967214    -12.50293029
  O     13.95888383      7.41710437     -9.99018078
  H     17.17277126     10.96267017    -14.78607063
  H     14.56619302     10.44998614     -9.33795495
  O     14.66518021      9.60201035    -16.30143867
  H     17.57276534      8.99611218    -13.63792011
  H     13.35776157     10.44440730    -10.29300107
  O     14.06434078     11.90236784    -14.94833755
  H     17.60135613      7.48925716    -13.24908586
  H     14.11152422      4.92898232    -14.07594950
  O     11.18181281      8.81840187    -12.91800912
  H     16.38737706     12.55815594    -13.21842284
  H     13.38435873      3.71734764    -13.46597142
  O     16.07875872      4.93692903    -11.65030859
  H     17.14743021     13.49497081    -14.18876860
  H     13.93813738     10.03838908    -12.35680934
  O     13.32593897      7.97019004    -14.54717813
  H     14.75633000      7.04123113     -9.59990981
  H     12.42557905     10.25763929    -12.50785990
  O     14.88710223      5.91929090    -15.45101206
  H     13.83544045      8.31516311     -9.64693883
  H     16.34276546      5.74229375    -10.15403341
  O     17.32072948      5.83791699    -13.95921723
  H     14.13997220      9.01513447    -15.73778169
  H     16.72945989      5.66334552     -8.65724546
  O     14.88550258      8.52022501    -12.40322812
  H     14.42293665     10.49651866    -16.02237758
  H     20.33282440      5.81480417    -15.87131972
  O     13.67551385     10.09208320     -9.45557889
  H     14.92074119     12.28993248    -14.72743532
  H     19.09660631      6.68082499    -16.17642433
  O     13.69844890      4.59688416    -13.26440325
  H     13.69120241     11.59375488    -14.11510586
  H     17.27995573      7.88906465     -9.80690863
  O     13.25145114     10.72590334    -12.33522923
  H     10.22911632      8.84496286    -12.93717516
  H     17.75817630      8.64139294    -11.07127614
  O     16.43439598      6.26455892     -9.33551653
  H     11.42910556      7.99347936    -12.45998928
  H     15.37739588      7.46738820    -18.65181602
  O     19.39127410      5.86654337    -15.73315171
  H     15.21501086      4.76509258    -12.03974287
  H     15.28551685      8.29278717    -17.34883702
  O     17.60227046      8.74188093    -10.12220327
  H     16.64836872      5.17808048    -12.39442057
  H     15.89573163     11.92100697    -10.91275532
  O     15.64805009      7.47765343    -17.73675798
  H     12.45445245      8.21986922    -14.22422604
  H     14.67732808     11.94511474    -11.86049788
  O     15.55602468     12.31820348    -11.72469618
  H     13.92550464      8.10110680    -13.79292570
  H     17.47599706      7.85506786    -17.26183885
  O     18.31413500      8.11464954    -16.86070381
  H     15.19633871      6.22788657    -16.31048530
  H     18.10498322      8.85437913    -16.27651601
          69
 Energy    -248.09826181710861     
  O     15.69748924      9.21131718    -16.04333152
  H     16.36332966      9.06338113    -15.35708353
  H     12.56680964      9.50934057    -14.41451204
  O     14.31981431     12.57247677    -15.03367202
  H     14.87897032      9.42435986    -15.58100027
  H     16.80954371     10.13630320    -18.83823481
  O     20.22870425     10.02763831    -11.22067817
  H     15.21748460     12.36182752    -14.73207906
  H     16.31741321     10.13155697    -17.37261766
  O     20.32243411     12.61798392    -12.04661337
  H     13.80806584     11.77183696    -14.87457878
  H     16.56096931     12.43565488    -10.99050400
  O     14.61716294      9.81678678    -12.01131990
  H     20.28439310     10.97634729    -11.43050103
  H     15.78663583     12.18946019     -9.67810100
  O     17.46456180      9.38972262    -11.21609886
  H     20.94889778      9.83396702    -10.62578791
  H     20.48350294     16.02832872    -14.00835264
  O     17.59585888      9.22747385    -13.99000447
  H     20.44999926     12.60126294    -13.00551732
  H     19.14056056     16.18344809    -13.27104257
  O     15.06765581     13.01831275    -17.69902160
  H     20.77492196     13.39795368    -11.69166530
  H     19.88539357     12.31812536    -15.41847038
  O     18.36598463     14.97224927    -16.46690002
  H     15.33751273      9.20727410    -11.82935152
  H     20.94233130     13.37952262    -15.07287598
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  H     14.87962620     10.62683182    -11.55483258
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  H     15.43743819     16.12571328    -18.16022819
  O     13.40582820      9.96067430    -14.45704376
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  O     16.69873181     10.69282576    -18.07243981
  H     17.50605962      9.15824974    -13.03014216
  H     21.54021900     15.61937567    -16.32578737
  O     16.02038602     11.78652224    -10.51045603
  H     18.54326981      9.31230240    -14.17272692
  H     17.83765086     15.25651490    -14.67020098
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  H     14.70531271     12.83325439    -16.82098070
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  H     20.41688665      9.70277469    -13.14192914
  O     15.83924223     15.59032630    -17.48172912
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  H     20.60091176     10.57109072    -14.40116444
  O     20.96912965     15.22022246    -15.67415834
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  H     17.05163093     10.95650097    -14.06246556
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  O     20.31465350      9.70053523    -14.10184583
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  H     17.57972423     14.18086159    -12.53649359
          69
 Energy    -248.09804634946045     
  O     -0.28728123      2.58890635     -2.79135335
  H     -0.37662566      2.98741980     -3.65257860
  H     -1.86924223      4.46999295      4.68360682
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  H      0.21282814      3.21778295     -2.23883540
  H     -1.89428160     -0.18389265      2.75087089
  O      3.01617634      0.09639014      1.75065719
  H      2.03148754      4.09484466     -0.92537514
  H     -3.11542698      0.55619196      3.36670518
  O      0.63404645      1.17260085      0.93438307
  H      0.63935893      4.21875612     -0.27788940
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  O     -2.51111429      1.95108850     -1.09813520
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  H      0.37821126     -1.37729795      2.60252219
  O     -2.68973890      2.80452806      1.47584967
  H      2.75886271     -0.83370001      1.69843676
  H      3.41954990      0.25464160      3.58653504
  O      1.01446531      0.36398437     -1.72232666
  H      0.40270871      2.10648504      0.99047734
  H      4.05329941      1.32353310      4.48415333
  O     -2.66917721     -0.75827034     -0.06112589
  H      0.66119362      0.92072023      0.00250854
  H     -3.26352625      3.80554263      2.83365356
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  H     -4.18398742      4.84670894      3.50773203
  O      3.47057792      2.96856645      2.33417418
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  H      1.75398577      0.70711636      4.99208967
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  H      0.42487810      0.29820106      4.29981821
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  H      3.65679776      0.57989237     -0.11385680
  O     -1.21643428      1.88595376      6.54163314
  H      3.42273464      2.01198575      2.23344210
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  H      1.06579643     -2.25785147      0.79622298
  O      1.65884649     -2.38375990      1.56064512
  H     -1.14703831      3.65327308      5.76741494
  H      1.87816198     -3.31082595      1.58849025
          69
 Energy    -248.09780228420158     
  O     15.40375859     13.21674987     -9.28631546
  H     16.35105955     13.18779609     -9.09678762
  H     13.82621499     16.17931181    -15.23917231
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  O     16.81882929      8.78171436    -11.28064366
  H     15.88060899     13.36503653    -16.21314138
  H     13.03079282     14.49855762    -13.44484383
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  H     14.58091776     12.52465411    -16.13691515
  H     20.80825725     12.85431253    -13.66213422
  O     16.49966754      6.60532281    -13.02081685
  H     17.33767779      9.43306920    -11.77654697
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  H     13.81259823     10.37847214     -7.86988744
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  H     15.19369804     10.69375639    -15.30074563
  H     14.22633912     10.22483931     -9.35108766
  O     14.10510226      9.46548253    -10.95938722
  H     13.86831684      9.93847998    -15.55944655
  H     13.49059288      7.86243826    -14.57149785
  O     16.99798041     10.57777983    -15.16546454
  H     16.89974742      5.74342604    -13.09776749
  H     12.80797913      7.61843833    -15.93868553
  O     17.60187653     13.34274408    -15.23633919
  H     16.52563475      7.00888603    -13.90695622
  H     17.22634626      9.66303288     -9.68142922
  O     13.46719735     11.40594479    -12.81183414
  H     16.68598251      8.73444200    -15.49553892
  H     16.35413034     10.36005480     -8.63028997
  O     14.11840315     15.41754452    -14.74601260
  H     15.40774544      7.88011129    -15.62680309
  H     18.51386332     13.82676929    -10.85084745
  O     12.73229360     14.01513537    -12.66588714
  H     15.04019526     12.02630068    -12.27762334
  H     17.94780038     14.64621470    -12.04827809
  O     19.86266200     12.75813722    -13.59176428
  H     15.70128999     12.63116508    -11.00767287
  H     17.31640021     11.43414396    -12.33469447
  O     14.44363308     10.67860570     -8.51887967
  H     15.04306063      9.27924726    -11.11663837
  H     18.76976540     11.38238041    -12.89094424
  O     13.49523358      8.12148162    -15.51036222
  H     13.81301976     10.12875522    -11.60355986
  H     14.66334741     14.68855951    -10.14815813
  O     17.26150833     10.29498813     -8.95142308
  H     17.33568599     10.48916897    -14.26344320
  H     15.09142393     15.46480900    -11.40254971
  O     18.75736920     14.28885169    -11.66250404
  H     17.20568808     11.48963487    -15.40316507
  H     13.68732736      8.00767692    -12.17297962
  O     18.02904844     10.83371901    -12.60967369
  H     17.17546441     13.90663349    -14.57797960
  H     14.61914660      6.98911140    -12.85564030
  O     14.35629657     15.33787992    -10.79663868
  H     18.47760152     13.16306934    -14.87090800
  H     18.81079862     13.01218223     -8.51258164
  O     13.73662931      7.37808087    -12.90180149
  H     13.63273012     11.21361013    -13.74396370
  H     17.96109860     11.89711666     -9.16186159
  O     18.18693434     12.84305247     -9.21489357
  H     13.07352621     12.29080801    -12.74945754
  H     16.06992930     13.96034910    -12.72487826
  O     16.31732360     14.82497899    -13.09170508
  H     14.32923629     14.72265166    -15.39476612
  H     15.57112285     15.13524141    -13.62222904
          69
 Energy    -248.09768805039809     
  O     16.91654162     10.10807541    -16.81857400
  H     17.17160793      9.37483789    -16.23310206
  H     17.17982842      5.78043586    -17.26970271
  O     15.58565759      5.35244498    -14.34710769
  H     16.48622312     10.76544556    -16.25814902
  H     17.37733352      5.23241991    -11.42931753
  O     17.62989219     13.86978989    -11.87684420
  H     16.23379418      5.27006594    -15.06101584
  H     18.14462675      5.91648237    -12.57956683
  O     19.93146302      8.72029598    -13.70953268
  H     16.09379408      5.53038805    -13.54736821
  H     18.33499874      8.19836886    -14.58489581
  O     16.45689862      6.40075798    -18.85112453
  H     17.84142622     13.41677468    -11.05126456
  H     17.51719667      7.21889042    -15.48985802
  O     15.56410305     11.08217580    -10.43782444
  H     16.68677154     13.71999113    -12.02140415
  H     15.89821321      8.73491472    -12.30273466
  O     15.17426496      8.91785173    -13.92775880
  H     20.01604330      9.36530065    -14.42373807
  H     16.75390241      7.66700426    -11.59584088
  O     18.36501721     12.05122571    -13.80208772
  H     19.66076136      9.20856053    -12.92063138
  H     14.38402066      7.80661232    -16.76464525
  O     19.65492640      5.99688060    -13.46944121
  H     16.04324268      6.00526314    -19.61344010
  H     15.34543996      8.90746168    -17.29449004
  O     13.62993294      7.00604263    -15.21131847
  H     15.79912421      6.99606566    -18.44712169
  H     18.49089829     11.36904869    -10.34591322
  O     20.26892766      5.59404847    -16.24773389
  H     16.36772973     11.42645651    -10.02704157
  H     18.76242430     12.02240254     -8.97137813
  O     17.48829026      5.60002907    -16.37214516
  H     15.75716621     10.16417670    -10.66329897
  H     17.93024748      9.65578323    -11.65570117
  O     17.30401427      5.91905525    -12.08843811
  H     14.47099066      8.35466962    -14.27044676
  H     18.55710095     10.85441223    -12.44988456
  O     17.50555946      8.08439022    -15.06242508
  H     16.00360417      8.56297020    -14.29028278
  H     14.12689448     13.38565996    -12.10400421
  O     16.46175000      8.58432647    -11.52911216
  H     18.26220581     12.81265641    -13.21341322
  H     15.08169234     12.25055063    -11.66597887
  O     14.83872103      8.13027960    -17.55237714
  H     17.48403056     11.85644821    -14.15117612
  H     20.53630795      8.97444601    -16.74252401
  O     18.16311239     12.03061169     -9.71311936
  H     19.92323159      6.92740216    -13.45067313
  H     19.76966228      8.25558912    -17.86007717
  O     18.70786203     10.22945124    -11.72367329
  H     19.89545629      5.69222811    -14.35121304
  H     15.46496956     10.63051377    -14.37838371
  O     14.93328293     12.93541205    -12.34219477
  H     14.28256219      6.35439093    -14.89434370
  H     15.39283467     12.11522850    -13.97036500
  O     20.45956200      8.12817031    -17.19024414
  H     12.77195829      6.59695455    -15.14267872
  H     19.42360350     11.25815856    -15.09705484
  O     15.75215168     11.51868192    -14.63953963
  H     20.98286368      5.08052335    -16.61558811
  H     18.94337161     10.52806577    -16.34620088
  O     19.70867689     10.62104830    -15.76963646
  H     20.39326529      6.50851298    -16.56129875
  H     17.72528448      7.83719655    -18.97083253
  O     18.29275575      8.60517013    -18.83381419
  H     18.44526367      5.47124202    -16.40604521
  H     17.75864607      9.24058082    -18.34160636
          69
 Energy    -248.09757077565894     
  O     13.70904869      1.59886334    -15.40445216
  H     14.37871625      1.32914146    -16.04258640
  H     18.18434113      5.59811736    -19.23550714
  O     20.24132133      7.63133353    -16.86546205
  H     14.19410822      1.87421404    -14.61208832
  H     14.90545874      3.40183018    -12.76268213
  O     14.43856210      4.96133779    -11.82685778
  H     19.69706751      8.39065348    -16.62312783
  H     15.48561490      3.32687179    -14.19660025
  O     13.28757627      4.65994321    -18.48704817
  H     20.14553604      6.99673779    -16.14288678
  H     16.26045753      3.57252784    -19.13882549
  O     19.11847846      4.36534810    -12.47239689
  H     15.30402982      5.40194559    -11.91212648
  H     14.74657658      3.49841944    -18.86257544
  O     17.24801504      8.68316596    -18.65396786
  H     14.14385444      5.11040036    -10.93273930
  H     19.50642331      5.34744295    -14.01428798
  O     15.20974722      7.00516459    -15.66156503
  H     12.97411466      4.42338268    -17.59986632
  H     19.19625677      5.14436357    -15.51581874
  O     18.53260530      3.97452350    -16.65006750
  H     12.51689624      4.68599476    -19.04992171
  H     18.20452809      7.05654785    -14.54282002
  O     17.93615910      2.12079854    -13.42617836
  H     19.71198167      4.11573105    -11.76914051
  H     17.75548118      8.49040784    -14.90576216
  O     18.25079498      9.62775680    -16.30322790
  H     18.72250034      3.54199148    -12.80965653
  H     12.90438458      5.21972291    -14.73227291
  O     15.93193988      4.26764408    -15.55877441
  H     17.96872116      8.17047952    -19.03973806
  H     13.52109572      5.59445817    -13.36000113
  O     17.46111682      5.01333413    -18.97615594
  H     16.48204427      8.09427706    -18.64259252
  H     18.71027131      0.47488189    -16.41015058
  O     15.23592254      2.78511729    -13.42490952
  H     15.95422610      7.30512946    -15.12507503
  H     17.28497641      1.05229615    -16.55626920
  O     15.52649896      2.95472496    -19.02869199
  H     14.46177257      6.79249710    -15.08417301
  H     15.27163221      6.86490349    -17.38159663
  O     19.49264812      5.80034896    -14.86576941
  H     18.20125660      4.25335006    -17.51525416
  H     14.56199174      6.07548539    -18.49768319
  O     17.54034645      7.73389411    -14.34606590
  H     18.49555731      3.01247072    -16.59398297
  H     17.62271051      5.50851592    -12.17273588
  O     13.16873163      5.96444040    -14.17949541
  H     18.05879132      1.76895340    -14.31386214
  H     17.03844585      6.79664331    -12.78268220
  O     18.16277374      1.22138261    -16.17794986
  H     16.98223737      2.25234386    -13.32289371
  H     19.79342115      7.14773509    -18.48287527
  O     15.30457497      6.66602138    -18.33228120
  H     18.28334237     10.58027303    -16.32635759
  H     20.15284772      7.10977798    -19.98658134
  O     16.86877816      6.10913134    -12.12653983
  H     17.82240015      9.34286891    -17.13012718
  H     15.38370072      0.08246528    -17.86631073
  O     19.44174519      6.95512327    -19.37090013
  H     16.82975895      4.20315614    -15.90133316
  H     15.64146487      1.60365676    -17.97452014
  O     15.69690061      0.83752991    -17.37427502
  H     15.68550643      5.19840509    -15.60579457
  H     11.40501464      3.65660293    -15.79418391
  O     12.31675263      3.84977011    -15.99994648
  H     16.72366142      5.59011076    -18.72536636
  H     12.82112598      3.04222756    -15.79638688
          69
 Energy    -248.09746046763075     
  O     17.41207521      9.71265716    -15.23005206
  H     16.92926825      9.80107094    -14.39289011
  H     17.88569414      4.54786745    -14.78637348
  O     14.01917989      8.45858210     -9.60503030
  H     18.02250738      8.97162489    -15.10727381
  H     14.95147914      7.65905249    -10.99000424
  O     12.05353826      9.30136422    -11.49999776
  H     14.47800890      9.31475902     -9.53213684
  H     14.87232740      7.25606114    -12.50487299
  O     15.07251735      8.56972193    -16.17871673
  H     13.86985427      8.15057352     -8.71508579
  H     17.61602317      5.79928465    -16.68085600
  O     19.15660795      7.65102421    -14.54961549
  H     12.56359952     10.04524144    -11.85630186
  H     18.75168399      6.29973146    -15.75092329
  O     20.91825296      9.41049105    -13.22676120
  H     12.59646249      8.93521357    -10.79401067
  H     18.02163100     11.59619491    -11.01323016
  O     17.95085410      6.40999922    -12.35753873
  H     15.30435187      7.80423123    -16.71907458
  H     17.15851330     11.17304496    -12.21304754
  O     11.43850128      8.29058632    -13.92103259
  H     15.90244389      9.02149558    -15.97034349
  H     15.54700022      5.71589924    -18.19317946
  O     15.23464478     13.12178591    -11.37912018
  H     19.88814961      8.16875906    -14.19318525
  H     15.48588592      5.57372637    -16.65296581
  O     13.02517394     10.34556407    -15.24713637
  H     18.71587398      7.24247286    -13.78963773
  H     16.00404808      9.02836464    -12.40244710
  O     13.65006387     11.18904576    -12.72047627
  H     20.42848521     10.19517137    -13.53190223
  H     15.21447072     10.29530086    -12.80858441
  O     17.53421206      4.13603764    -13.97574883
  H     21.84565913      9.60799788    -13.32376748
  H     18.85182975     11.79692166    -13.32657138
  O     15.47384393      7.39880523    -11.75808684
  H     17.06639160      6.70515450    -12.09322330
  H     18.71206657     11.02209651    -14.65188967
  O     18.37725246      5.50910888    -16.16451379
  H     17.83881271      5.55105991    -12.78329545
  H     18.78313310     10.57578731     -8.73457124
  O     17.67020705     11.91720604    -11.85297953
  H     10.52026789      8.04860965    -14.00007215
  H     18.59409121      9.74534668    -10.02393825
  O     15.83236362      6.12338154    -17.37940366
  H     11.56719276      8.62157696    -13.01303460
  H     13.04804396      7.40370801    -13.99905070
  O     16.09270427      9.89095004    -12.82440036
  H     15.26394975     14.05052436    -11.16342548
  H     14.38800295      7.65481771    -14.73394078
  O     19.35544764     11.45981836    -14.07898720
  H     16.14532303     12.85627249    -11.58820198
  H     18.88961527      7.72567569    -11.37255950
  O     18.23577518     10.49231014     -9.51068126
  H     12.38355835      9.69810291    -14.92860972
  H     19.91140781      8.82901222    -11.72048661
  O     13.96943032      7.11949924    -14.04432877
  H     13.70073132      9.83312638    -15.70950481
  H     16.34346812     10.68709362     -9.45937254
  O     19.29798210      8.53295843    -11.03658109
  H     13.45802838     11.13824844    -13.66987720
  H     15.21798815     11.57483044    -10.03536686
  O     15.38468760     10.80393165     -9.48387450
  H     14.02991911     12.04022236    -12.48079674
  H     15.75092127      4.49089582    -14.65587392
  O     14.98844990      4.76782897    -15.17746344
  H     17.88430682      3.24955328    -13.94405200
  H     14.55608252      5.47888813    -14.68423670
          69
 Energy    -248.09711380056928     
  O     14.97903360     10.18681150    -10.78621544
  H     14.69676816     10.66352114    -11.57643123
  H     16.87553414      4.24689432    -12.17535226
  O     14.00996674      9.73793660    -16.49571852
  H     14.19534270      9.81087508    -10.35413938
  H     12.35271192      8.43491750    -10.32242745
  O     17.04476909     10.65352143    -13.95357347
  H     13.42013854      9.43121426    -15.79679323
  H     13.27675316      8.17220726     -9.09431805
  O     12.77849995      5.52741768    -12.45518040
  H     14.06304479     10.69494575    -16.38191514
  H     18.50110365      6.89897141    -13.84284752
  O     16.91995427      7.57657953     -8.43778350
  H     16.15060853     10.79684434    -13.61781062
  H     17.74361288      7.24834800    -15.15204166
  O     17.00612521     12.56167152    -15.93221912
  H     17.64397712     10.55786994    -13.19921491
  H     15.25238512     12.61508245    -15.88746253
  O     15.81233314      7.69075379    -11.80352786
  H     13.37334856      5.40100952    -11.70032076
  H     13.88369045     13.30783791    -16.08825087
  O     14.32997785     11.09402400    -13.30585330
  H     13.34998985      5.74053056    -13.19938157
  H     12.30099503      8.54684455    -13.27434572
  O     18.55357584      7.42546888    -12.06532737
  H     17.14029873      8.47219480     -8.72149684
  H     13.47953525      8.00010387    -14.10731946
  O     18.67050862     10.19694233    -11.81341591
  H     17.53959015      6.98135496     -8.87572594
  H     10.43321129      7.60473717    -11.80059249
  O     16.59312862      4.52866389    -14.05992482
  H     17.76325940     12.52238846    -16.51054998
  H     11.79341708      6.89945762    -12.02240493
  O     16.94633799      4.19385629    -11.21536574
  H     17.16793170     11.90970403    -15.23008217
  H     14.17516502      6.75846808     -7.10914679
  O     12.91367182      8.86175838     -9.66380161
  H     15.41059374      7.47610075    -12.65365006
  H     15.25488291      7.19514164     -8.12800817
  O     18.24677440      6.55326938    -14.71081676
  H     15.49970710      8.55713458    -11.51464265
  H     14.44798456      5.86149164     -9.53018465
  O     14.29333075     12.51390169    -15.75534929
  H     14.22999299     11.70163923    -14.04848435
  H     15.10968327      6.31772978    -10.84438571
  O     12.92381918      8.77894872    -13.97434337
  H     13.82323896     10.30001343    -13.53186463
  H     19.34988725      5.21441577     -9.39619155
  O     11.37461295      7.75649015    -11.82599781
  H     18.81222911      6.86569778    -11.32440064
  H     18.09517431      5.13197811    -10.29742478
  O     14.31512409      6.95267257     -8.03174554
  H     17.59434325      7.54094532    -11.97460929
  H     15.32747471      5.85943284    -14.18569941
  O     14.66054086      5.56754648    -10.42338555
  H     18.30984457     10.30302922    -10.92563901
  H     15.33330295      7.28862082    -14.78059676
  O     18.67766456      5.74576175     -9.81430047
  H     18.81834635      9.24634606    -11.91731008
  H     17.26118044     11.01261626     -8.71659722
  O     14.80712574      6.67249987    -14.24575785
  H     16.68160147      3.77953490    -14.64376891
  H     16.42896133     10.31397421     -9.81715471
  O     17.26543306     10.27372496     -9.32035186
  H     17.26893397      5.17893356    -14.32742663
  H     15.60578981      8.91562569    -16.07744512
  O     16.33429077      8.52091308    -15.57671376
  H     16.09392462      4.49734586    -10.87234871
  H     16.67762776      9.22612833    -15.00947829
          69
 Energy    -248.09702687271187     
  O     16.41148214     11.13168772    -16.30222317
  H     15.73733145     10.65240013    -16.77578055
  H     16.37058648     14.28787044    -15.80407225
  O     19.22878530     16.39838115    -16.67195236
  H     16.97611268     11.56180643    -16.96924100
  H     17.62985592     13.43165844    -17.92614296
  O     21.89697617     10.82929293    -15.47202268
  H     19.13331666     16.31220422    -15.71169456
  H     18.89896873     12.57271491    -17.73701868
  O     18.73289937     13.40048785    -10.62059364
  H     20.12736570     16.11268648    -16.86716824
  H     18.98115520     10.53022814    -10.13047789
  O     16.61433616     13.98379481    -12.36787923
  H     21.38939468     10.20261801    -14.94360926
  H     18.10264158     10.37486830     -8.86517857
  O     20.50797664     10.27953868    -10.94473479
  H     22.17644624     11.50731564    -14.83893310
  H     16.97308136     17.50696471    -11.69036842
  O     16.33019612     11.20091820    -11.87770196
  H     18.48119590     12.58588102    -10.16853603
  H     18.13004666     16.57085939    -11.26074941
  O     20.47525550     12.80609352    -16.74298587
  H     18.07527976     13.54843801    -11.31384430
  H     21.83434862     13.87454206    -10.87312106
  O     21.86018356     15.66556191    -14.01938461
  H     16.67177194     14.92388095    -12.16439465
  H     20.49539819     13.11326405    -10.88026791
  O     19.47915974     16.06740239    -10.27373240
  H     16.43344741     13.91505929    -13.31871279
  H     17.39727432     10.73222269    -14.83216356
  O     22.12817738     12.87470011    -13.59566797
  H     20.53086738      9.95929501    -11.85482078
  H     17.32613788     10.78880613    -13.27036332
  O     16.11017220     13.73244343    -15.06004387
  H     21.03331282     11.08809663    -10.91401609
  H     22.48975643     15.20459788    -17.52659808
  O     17.97253007     12.53154763    -18.00739040
  H     16.83604518     11.01667004    -11.07637483
  H     21.41166855     14.32211508    -16.85955175
  O     18.15074679     10.81609884     -9.70861173
  H     16.25153332     12.16240241    -11.94233770
  H     19.02075785     14.84161383    -13.99902547
  O     17.40396743     16.68336042    -11.90058220
  H     19.94127542     12.99679870    -15.95815665
  H     18.49603255     16.14802882    -13.31265884
  O     21.45591259     12.98959142    -10.93587668
  H     21.00995563     12.03578720    -16.49920519
  H     22.16694867     15.78923885    -12.22574958
  O     17.92465194     10.67967216    -14.02494347
  H     20.90152780     15.79156506    -13.93293216
  H     22.95904792     16.24937817    -10.98459431
  O     21.84942868     15.18984951    -16.81975860
  H     22.02987633     15.62627053    -14.96847369
  H     19.39787360      9.75574285    -13.79938885
  O     19.11216880     15.80713934    -13.96895522
  H     20.39764085     16.07341083    -10.56431808
  H     20.10465153      8.38296804    -13.73569400
  O     22.19743827     15.74233411    -11.25668087
  H     19.22521608     15.13398228    -10.22090972
  H     20.26770864     12.87359126    -13.92677220
  O     20.25254153      9.32068033    -13.63466387
  H     21.99524830     12.80260548    -12.64045665
  H     18.82568979     12.28990374    -14.08072011
  O     19.36419191     13.08190036    -14.19829442
  H     22.16230680     13.81882222    -13.79393899
  H     16.42765832     15.70323767    -17.95354227
  O     16.97295984     15.11894766    -17.43343337
  H     16.08640923     12.83451203    -15.41011104
  H     17.78252593     15.61343592    -17.21612471
          69
 Energy    -248.09675188201811     
  O     15.85661862      8.47189017    -15.60591765
  H     16.48355697      8.40929800    -14.87189247
  H     12.65194695      8.97834388    -14.18371638
  O     14.45483911     11.91692723    -15.15739179
  H     15.01671750      8.74101921    -15.21689854
  H     17.04605878      8.99882227    -18.47407814
  O     20.19080286     10.10095502    -10.77419756
  H     13.92868483     11.14890863    -14.90955546
  H     16.50937855      9.20262229    -17.03860499
  O     20.27677547     12.43699628    -12.19636021
  H     15.33607562     11.74802961    -14.78921819
  H     16.47399968     12.32493782    -10.97752444
  O     14.58389674      9.60396731    -11.74430653
  H     20.25473067     10.98131495    -11.18219608
  H     15.64915330     12.26702511     -9.67293490
  O     17.44340111      9.34332537    -10.75540918
  H     20.88343930     10.05221521    -10.11964120
  H     18.39463281     16.28375243    -13.20545428
  O     17.63774432      8.74942229    -13.45981653
  H     20.41469780     12.05253944    -13.07306741
  H     18.65775544     17.61505617    -12.48467024
  O     15.35370013     12.06209998    -17.81147740
  H     20.64209800     13.33437051    -12.23805400
  H     20.06818133     11.38259291    -15.37543993
  O     18.61845380     14.14551329    -16.40987407
  H     15.27803415      9.00956145    -11.44958676
  H     21.18672956     12.39638887    -15.07047259
  O     21.14283717     14.93116436    -12.78573073
  H     14.83498449     10.45905796    -11.37062640
  H     15.93551216     13.68873226    -17.89497431
  O     18.52341029     11.38737063    -16.30050823
  H     16.97607990     10.15778329    -10.53127200
  H     15.93832283     15.06706948    -18.59848534
  O     13.49317420      9.42318586    -14.24668971
  H     18.38439451      9.54347193    -10.66043054
  H     17.88006903     14.73516703    -14.78399518
  O     16.90530247      9.66041946    -17.80257483
  H     18.59582202      8.74856634    -13.60238552
  H     16.43283945     15.01517539    -14.32710015
  O     15.90121002     11.75522875    -10.43724820
  H     17.50889652      8.83638318    -12.50564190
  H     20.35269815     14.32939004    -15.92986219
  O     19.07932798     16.80423257    -12.75707590
  H     14.93261353     11.98109319    -16.94409130
  H     21.82371898     14.66570096    -16.25524625
  O     20.82754960     11.54463395    -14.79562683
  H     15.85252058     11.24707486    -17.93644697
  H     20.44763279      9.28504556    -12.55198825
  O     16.23822388     14.61243388    -17.81611787
  H     18.59840435     13.17713922    -16.44271772
  H     20.70587691      9.80800287    -13.97989479
  O     17.35518508     15.03806281    -14.03219803
  H     17.87788151     14.44234955    -16.95427207
  H     17.12744650     10.44837009    -13.82905443
  O     21.26284924     14.26207688    -15.59703194
  H     21.27624217     14.81078984    -13.73343139
  H     17.17214165     11.94359571    -13.36407078
  O     20.37719191      9.04748428    -13.48443699
  H     20.50064795     15.64978885    -12.69734433
  H     14.60461270     13.80426891    -15.14431302
  O     16.93792808     11.35908600    -14.09393437
  H     18.10790898     10.78623837    -16.92842973
  H     15.25334455     14.79325821    -16.12989858
  O     14.92299478     14.71329340    -15.22661165
  H     17.94245527     11.40685868    -15.52296075
  H     17.48918778     13.87501047    -12.66265146
  O     17.60214090     13.13069909    -12.05505384
  H     13.84724753      9.47778634    -13.34202247
  H     18.54582544     12.92108094    -12.02477076
          69
 Energy    -248.09670645018556     
  O     13.91889994      8.86203301    -10.89067226
  H     13.81798723      9.55368717    -11.56102944
  H     15.50328224      5.91611236    -15.10083313
  O     13.53415984     10.63377696    -16.90009020
  H     14.42881616      9.20957804    -10.14770681
  H     17.90671143      4.38108214    -12.00995540
  O     16.59269411     11.06961701    -13.17795613
  H     12.93436116     10.54748695    -17.63725500
  H     16.84136931      4.35792449    -10.89367041
  O     12.75138078      6.15195086    -13.90873637
  H     13.37385119      9.86965114    -16.32205981
  H     11.79464321      6.44765675    -10.56394795
  O     16.51244748      6.93166864     -8.76517768
  H     15.66401738     10.80629195    -13.14323118
  H     13.00416796      7.32740938    -10.95564723
  O     16.38156559     13.18987685    -14.91550329
  H     16.95998470     10.96230811    -12.28837202
  H     18.89184321      8.26645196    -14.59439638
  O     16.01451379      7.54826236    -12.25735191
  H     13.52185405      5.61053391    -14.11467456
  H     20.17746078      7.41323786    -14.61090487
  O     13.83831653     10.46248992    -13.11138289
  H     12.67433587      6.16622612    -12.94722581
  H     13.48046893     12.05416609    -15.58926198
  O     18.65837470      8.06866759    -11.49388887
  H     15.99065561      6.33524268     -9.31774899
  H     14.46909021     12.98494536    -14.86783779
  O     17.56344808     10.50463996    -10.70679681
  H     17.43145535      6.67328293     -8.90099718
  H     14.29297137      8.30073000    -15.17020367
  O     17.94149828      4.92670150    -13.73395797
  H     16.93636071     13.93137100    -14.68813347
  H     12.92529131      7.76953987    -14.73287609
  O     15.27318265      4.98865636    -14.91829937
  H     16.53462406     12.50794852    -14.23887206
  H     16.41954582     11.94805316    -16.38939899
  O     17.78166799      4.21974805    -11.06260045
  H     15.35810462      8.06554569    -11.77443951
  H     15.44911165     10.94115639    -17.02443706
  O     12.61219656      6.44301518    -11.05550394
  H     16.89142535      7.76540878    -11.91383309
  H     14.25760730      5.48433286    -10.75050565
  O     19.33582468      7.51311806    -14.17157416
  H     13.64256757     11.30084416    -13.55412060
  H     15.56590769      5.98393828    -11.37567842
  O     13.58202839     12.60898996    -14.80503661
  H     13.61160529      9.76630415    -13.74304720
  H     18.68356194      5.32394064    -10.11820053
  O     13.35842899      8.55016210    -15.10498984
  H     19.02742659      7.84470906    -12.35737559
  H     19.82467710      5.67101160     -9.12830728
  O     16.38640218     11.14880842    -16.93143887
  H     18.91881518      7.38375454    -10.86397339
  H     15.93741986      7.57217568    -13.99671083
  O     15.21101716      5.34775872    -10.73574870
  H     16.95016385     10.25677928    -10.00560956
  H     16.59226093      8.28151493    -15.20900055
  O     19.10076844      6.05047619     -9.61762203
  H     18.07413554      9.70750140    -10.90903447
  H     15.55101792      9.82078508     -7.92006046
  O     15.92420363      7.63112905    -14.96746941
  H     18.31006855      5.78404579    -13.97145669
  H     15.98679072      8.57757570     -8.73464055
  O     15.66526210      9.49509377     -8.80875740
  H     17.06091411      4.88252917    -14.12455476
  H     17.50514433     10.07317051    -14.41368349
  O     17.84500054      9.60689151    -15.19208061
  H     15.17949262      4.55941285    -15.76651763
  H     17.47577945     10.07954196    -15.95240335
          69
 Energy    -248.09640321565178     
  O     11.99286200     11.30086109    -10.98276430
  H     12.76229772     10.72793150    -10.81914547
  H     16.44798965      9.34188924     -8.13603348
  O     17.74596700      8.89325388    -14.16881426
  H     11.68297063     11.59433687    -10.13001805
  H     14.09965447      8.73092251    -10.73590016
  O     11.12838497      9.49096802    -13.00729692
  H     18.52707894      9.40864515    -13.93181329
  H     14.67145910      9.91821570    -11.52751742
  O     16.26858788      6.74942254    -13.10274188
  H     17.44293506      9.25166439    -15.01412558
  H     18.34718808      7.48302956    -10.61465023
  O     18.71042371     10.97586797    -11.10834153
  H     11.29769900     10.01122834    -13.80156777
  H     17.96931380      8.39617311     -9.43763683
  O     15.70494027     10.80842271     -8.70997818
  H     11.29549757     10.08818107    -12.26782083
  H     16.15280902     13.02572825    -11.88986313
  O     11.89718964      6.89883282    -12.82591655
  H     16.82517298      6.25772150    -12.48454196
  H     15.69186700     11.92797841    -12.86797425
  O     16.68847430     10.29702672    -16.40766302
  H     16.83068105      7.44097017    -13.47766222
  H     17.13765800      5.71466410    -10.31142702
  O     13.98573829      7.08276589    -14.76771384
  H     19.15323110     10.97274372    -11.96326094
  H     18.31458397      4.87072004    -10.85697028
  O     14.21425586      9.68387851    -15.49717257
  H     18.65265623     10.05263873    -10.82082448
  H     16.35576071      9.76601188    -13.23625242
  O     11.92147956     11.22070834    -15.13686321
  H     15.11940444     10.42774481     -9.38024420
  H     14.95238111     10.01581452    -13.83963424
  O     16.85349300      8.48694922     -7.90819041
  H     16.13684745     11.55648430     -9.13796682
  H     19.06925526     11.51399081    -14.12394664
  O     14.16572888      9.69389253    -10.73189799
  H     11.59305176      7.82223715    -12.88330952
  H     20.56471020     11.11028172    -14.09089713
  O     18.45900938      8.37430259    -10.26981084
  H     11.11749593      6.35047960    -12.84324687
  H     17.07612331     12.74546462    -14.15850085
  O     15.77165733     12.88984711    -12.76627550
  H     15.76296501     10.10620484    -16.17531073
  H     17.30368359     11.83524688    -15.39469719
  O     17.79092861      5.64770739    -11.03132243
  H     16.76776200     10.16718835    -17.34907645
  H     13.35093801      6.85533059    -11.67522046
  O     15.50003690     10.17420074    -13.05947564
  H     14.78192187      6.83433827    -14.27946502
  H     14.88861972      6.95981775    -11.85820280
  O     19.70658127     10.88099069    -13.74582970
  H     13.24268423      6.92599904    -14.17237145
  H     17.53586085     13.54292847     -9.81568283
  O     17.74417672     12.44174623    -14.78655176
  H     14.05814274      8.74193660    -15.32262174
  H     17.66531510     12.17964440    -10.53813899
  O     14.18093841      6.97671280    -11.19748803
  H     13.37668535     10.16073430    -15.46915845
  H     13.91542588     12.97950404    -13.07456421
  O     17.02622151     12.85047487    -10.22787858
  H     12.30546314     11.84892952    -14.49698078
  H     12.64773070     12.40591343    -12.39289163
  O     12.97979283     12.78668380    -13.21575256
  H     11.35821068     11.72580338    -15.71652269
  H     15.16839971      6.36099857     -9.74002600
  O     15.89034102      6.10676207     -9.14837539
  H     17.17266359      8.56755938     -7.01322275
  H     16.12931153      6.89872025     -8.64970193
          69
 Energy    -248.09606423659719     
  O     17.24729360      4.13285447    -15.54021605
  H     16.50915750      4.75638824    -15.53331430
  H     19.54283903      6.58276389    -13.86187220
  O     18.28130280      9.13703353    -11.26952310
  H     17.01901827      3.45910018    -14.88858232
  H     15.76555947      9.30842983    -15.53944841
  O     12.98497331     10.65486858    -10.78474704
  H     18.74880310      8.66944442    -11.97188166
  H     14.31826839      9.07181721    -15.99301909
  O     16.91749508      8.13150149    -14.59674916
  H     18.27436881      8.54959490    -10.50143661
  H     12.39471369      7.47322924    -16.63774986
  O     19.75634139      5.02416706    -14.93054682
  H     13.25877360     10.89302107    -11.67820646
  H     12.64511697      8.00161575    -15.20609071
  O     11.74060565      8.11885142    -11.17620109
  H     12.46363548      9.84665236    -10.86642005
  H     16.48475807      9.10399583    -11.84634489
  O     17.98034715      7.28228463     -9.15763518
  H     17.78683756      7.85839434    -14.28052921
  H     15.17368122      9.64209941    -12.53513552
  O     14.17117738      6.89244768    -11.05327352
  H     16.41609606      8.36972075    -13.80173793
  H     17.60419780      2.70304500    -12.98064743
  O     15.75701062     12.93406677    -12.58389873
  H     20.34533961      4.85478756    -15.66105449
  H     16.61938628      1.52111547    -13.14739167
  O     15.40868305      7.87707348     -8.71193717
  H     18.86948162      4.74159177    -15.21769256
  H     14.66946164     11.22051453     -8.18618491
  O     15.22460911      6.01801344    -15.03735360
  H     11.06633036      7.65691259    -10.68534744
  H     14.21920780     10.69103479     -9.56663550
  O     19.16543969      7.21511737    -13.23771948
  H     12.55733307      7.59608489    -11.09875948
  H     17.83325631      6.08046964    -10.55872058
  O     14.94088535      9.76694611    -15.74919065
  H     18.45821622      7.15180301     -8.34345025
  H     16.95429195      5.43172815    -11.68968517
  O     13.06515907      7.55860812    -15.96506819
  H     17.05682734      7.48298243     -8.92009539
  H     14.65204660     11.72228885    -13.18455117
  O     15.64484463      8.84928827    -12.24982461
  H     14.45448363      6.06490040    -11.46103196
  H     14.41024389     10.63477820    -14.28322689
  O     16.69948033      2.46511278    -13.25216385
  H     14.67852524      7.59723818    -11.48948602
  H     17.63935334     10.84366309    -10.79629252
  O     14.93637535     10.65727842     -8.90869159
  H     16.27509642     12.52060432    -11.87244318
  H     16.40101651     11.25785031     -9.96355721
  O     17.85862727      5.60110605    -11.39512800
  H     16.20118666     13.74907429    -12.79981880
  H     15.25837425      5.27018100    -13.37647812
  O     14.12716123     10.93713867    -13.40571229
  H     15.22216779      8.82477737     -8.73434358
  H     15.69102397      3.96129137    -12.67545665
  O     17.05350203     11.58408507    -10.59615396
  H     14.88922015      7.47286424     -9.41895376
  H     19.53521174      3.88114108    -13.35664005
  O     15.37220767      4.85658792    -12.50750574
  H     14.42373946      6.42025305    -15.39327818
  H     18.81451326      4.15292218    -12.02795066
  O     19.15338571      3.43955464    -12.58852119
  H     15.87069773      6.73540212    -14.95037836
  H     12.65482842      9.70908803    -13.71994543
  O     12.07665336      8.95031413    -13.86394907
  H     18.70272808      6.66994050    -12.58238078
  H     11.84574662      8.62077630    -12.98732884
          69
 Energy    -248.09599162793484     
  O     18.99161248     10.10792819     -7.18972826
  H     19.56757804      9.88646506     -7.94161450
  H     19.64275250      7.01981399     -7.17629884
  O     17.80357244      5.68826857    -10.25817530
  H     19.41500006     10.81998009     -6.71665598
  H     17.43771870     10.26239624     -8.23017839
  O     17.88792102      5.97342156    -13.75781547
  H     17.09987974      5.45804854    -10.87896268
  H     16.08518579      9.65693172     -8.73390999
  O     17.66243228      8.72021353    -13.38160914
  H     17.93637196      6.64623609    -10.34644424
  H     16.13125722     10.96626390    -12.27048576
  O     20.40276599      6.67406974    -12.80754130
  H     17.72430532      6.92845257    -13.76321767
  H     14.97883913     11.02995279    -13.30389554
  O     15.68936913      5.43516741    -12.00381781
  H     17.12763374      5.60100654    -13.29725579
  H     12.63602367      5.70781245    -10.88574759
  O     20.40448473      9.27737670    -13.60813905
  H     18.51384293      9.12516266    -13.59084460
  H     13.02301018      7.16425774    -11.20308448
  O     21.23718272      6.72561843     -8.30063657
  H     16.97506237      9.39636651    -13.36881586
  H     14.09628131      8.01194685     -8.41204914
  O     14.09526757      4.84454018     -8.08934417
  H     19.57476896      6.31718347    -13.16691428
  H     15.56498937      7.51309536     -8.35605507
  O     20.41498697      9.20889002     -9.37015456
  H     20.55975035      6.19818103    -11.98847324
  H     14.91675590      8.83597688    -11.93595704
  O     18.09081263      8.37172896    -10.61018079
  H     15.37112526      6.34602950    -11.92066264
  H     14.85364117      8.14220320    -10.54129731
  O     18.83943822      7.27600283     -6.70898942
  H     15.00054281      4.86923655    -11.63454757
  H     20.23243655     10.56838897    -12.23538270
  O     16.80053025     10.27016888     -8.95483076
  H     20.48323701      8.35709595    -13.29720897
  H     20.34013639     10.62723255    -10.70968982
  O     15.52941249     10.42491296    -12.81497516
  H     20.97123671      9.35573434    -14.37097293
  H     17.31207769      6.48352478     -7.28034949
  O     12.32020857      6.61816860    -10.82482401
  H     21.00890293      6.10023012     -9.00715898
  H     16.99731473      5.83991095     -8.64520890
  O     14.99812764      8.22992376     -8.67631947
  H     22.05082158      6.41351119     -7.91147946
  H     11.60014739      7.46073333     -7.79693694
  O     14.68423709      8.01639651    -11.48547082
  H     14.97472134      5.17622438     -7.86320862
  H     12.27879304      7.01979798     -9.11773617
  O     20.02729107     11.12554957    -11.47355906
  H     13.48867300      5.58158222     -7.94809344
  H     17.07600166     11.38466028    -10.38912254
  O     16.59135412      6.11815687     -7.81212530
  H     19.66010578      8.88651778     -9.88849393
  H     18.24565934     11.61042272    -11.37694472
  O     12.43626872      7.20163298     -8.17346343
  H     20.85991154      8.42208709     -9.03384006
  H     19.46671798      5.18657947    -10.32367805
  O     17.29066898     11.72258974    -11.26951841
  H     17.94664654      8.50449591    -11.55589863
  H     20.57880611      4.14981174    -10.61083945
  O     20.43154597      5.05547357    -10.34938699
  H     17.58464045      9.03967986    -10.13057114
  H     13.28103648      3.18454189    -10.67747942
  O     13.63274205      4.07027721    -10.65476004
  H     18.83125315      8.24057875     -6.72131965
  H     13.82554706      4.27287891     -9.72162716
          69
 Energy    -248.09594221937715     
  O     -1.48647898     -3.35534919     -0.23408260
  H     -1.04706088     -2.55583818     -0.56144605
  H     -1.86824337     -5.17548789     -2.53085309
  O      0.97381530     -4.61922539     -0.31511637
  H     -1.93548154     -3.73779634     -1.00012472
  H      1.99794080     -1.97809634      1.31765621
  O     -1.59709923      2.07053036     -0.06704382
  H      1.51918831     -4.13987614      0.32023864
  H      2.79434300     -2.96166386      2.20417404
  O     -0.46005629     -6.33627788     -2.25816544
  H      0.07966646     -4.26086472     -0.21193871
  H      2.80761429      0.92314204     -1.14922043
  O     -1.28075800      0.55442683      2.14567071
  H     -0.92161274      2.42493778     -0.65579690
  H      1.59750407      1.87636614     -1.05015470
  O     -0.34164260      0.91196179     -4.06581247
  H     -2.14820006      1.51184311     -0.63502623
  H     -0.15569448     -3.81011768     -4.70110143
  O     -0.28339154     -1.05685461     -1.13331364
  H      0.08859958     -5.99973594     -1.54067484
  H      0.09963696     -2.39524187     -4.14910971
  O      3.74674366     -0.16971649     -2.38947622
  H      0.03366425     -6.17098750     -3.07111311
  H     -1.91910707     -1.60609421     -4.49129771
  O     -2.98912013     -1.71054034      1.46463273
  H     -1.40737020      1.15845723      1.39112445
  H     -3.34227632     -1.40244051     -3.95319634
  O      1.14328123     -0.43635295      1.19705071
  H     -1.51955438      1.04151941      2.93019627
  H      0.37537344      3.58801600     -2.50401263
  O      1.34667384     -1.30929527     -3.26437404
  H      0.31351386      0.21095821     -3.97458783
  H      0.02005763      2.11786602     -2.80942318
  O     -2.35575258     -4.35212647     -2.67623480
  H     -1.17344178      0.46216692     -4.25884502
  H      1.59130352     -4.91336214     -3.93836384
  O      2.48853195     -2.81775659      1.31168477
  H      0.17498537     -0.76090222     -0.33698618
  H      1.54064582     -5.82474864     -5.18872457
  O      2.21888671      1.35936818     -0.52187702
  H     -1.09662679     -0.54572930     -1.24542937
  H     -2.69993901     -0.14302871     -2.57821004
  O     -0.59552022     -2.98022102     -4.47779213
  H      3.97257635     -0.95018568     -1.85149172
  H     -3.50882497     -0.28282707     -1.26012502
  O     -2.55110761     -0.91999630     -4.24242752
  H      4.54930687      0.11218721     -2.82039378
  H      1.82184571     -4.19491469     -1.83788455
  O      0.29604751      2.72596372     -2.10273662
  H     -2.39760315     -0.99993505      1.73542715
  H      2.00210251     -3.03094942     -2.85294426
  O      0.99281441     -5.35282717     -4.56656686
  H     -2.44800398     -2.37709582      1.01765907
  H     -3.89326770     -3.26484244     -2.89575765
  O     -2.74487812      0.15251444     -1.65963988
  H      1.57473147      0.27957285      0.70168480
  H     -4.70576051     -2.18073572     -2.16006188
  O      2.30670455     -3.92089747     -2.63271635
  H      0.37587576     -0.07637830      1.65969522
  H     -4.25826012     -1.45721780      0.29326012
  O     -4.46245232     -2.49608899     -3.03819041
  H      0.77207211     -1.20605240     -2.48512658
  H     -5.69011100     -1.01171248     -0.08655861
  O     -4.84641245     -1.25767129     -0.45643709
  H      2.17990441     -0.85849543     -3.07571959
  H      3.67183107     -2.56009611     -0.15140786
  O      4.11820282     -2.45870196     -1.00132445
  H     -1.80717013     -3.82870706     -3.27550196
  H      3.71501910     -3.11440694     -1.58436076
          69
 Energy    -248.09580310481454     
  O     11.05536812      9.32110818    -13.22357987
  H     10.12156592      9.14974191    -13.31033578
  H     15.62683585      8.01581681    -17.01651258
  O     17.22736087      8.17094828    -14.50213675
  H     11.45567891      8.51117137    -12.86033443
  H     19.26341775     10.58985142    -14.69216572
  O     16.67644487     11.34959600     -9.71341488
  H     16.87025387      7.76520824    -15.30357075
  H     18.29875785      9.54567506    -15.26114411
  O     16.12045534     12.59793468    -14.06819332
  H     16.57904172      8.81731663    -14.17147145
  H     13.02019821     14.19369764    -13.50540926
  O     13.82625293      6.63301640    -14.89641763
  H     17.11090163     11.72290388    -10.50238757
  H     13.15668539     12.74496016    -13.00796250
  O     16.71420725      6.56507604     -8.90955135
  H     16.61793247     12.05191913     -9.07178846
  H     15.72130696     10.88405409    -13.69682546
  O     15.86969920      6.14890076    -13.05513951
  H     16.28025763     12.49799650    -15.01377730
  H     15.16761453      9.93543153    -12.59161156
  O     14.56521226      9.93820662    -10.90800063
  H     15.23417579     12.97131360    -13.93905744
  H     13.02181288      7.05121925    -11.73257457
  O     16.79610838     11.83032318    -16.69708160
  H     13.53920617      7.55771319    -14.93875475
  H     12.75207708      6.69552574    -13.21327935
  O     18.08454399      5.69653136    -11.30036775
  H     14.46324875      6.55196648    -15.61597300
  H     18.39212022      8.17141839    -13.06701980
  O     15.01256990      9.61894292    -17.18435659
  H     17.17084144      7.40906369     -9.08468631
  H     18.81645112      7.26173097    -11.89699562
  O     15.96490925      7.13568968    -16.76581630
  H     16.87485407      6.34695029     -7.99592374
  H     17.31967777     12.47806332    -12.69012446
  O     18.73963514     10.37763911    -15.47356798
  H     16.44990737      6.80275474    -13.46477996
  H     18.63368073     11.76247618    -12.28037067
  O     13.58028156     13.42444705    -13.55999605
  H     15.09495673      6.12843260    -13.63188620
  H     19.73273589      9.71771297    -12.61243027
  O     15.46580502      9.97066907    -13.51009294
  H     14.60432081      8.98834347    -10.73312261
  H     20.92691451     10.69369446    -12.67760601
  O     12.34350126      7.05999426    -12.41952219
  H     15.25848841     10.38016476    -10.40180783
  H     18.27428377      8.72529658    -10.54579596
  O     18.91898816      8.15527932    -12.25711271
  H     17.55050478     11.34895358    -16.31179461
  H     17.57135967      9.73157220     -9.60168562
  O     17.88146657     12.25583728    -11.93477460
  H     17.14014371     12.34859985    -17.42029755
  H     15.22753068      6.89614665    -10.00321815
  O     20.00747545     10.59923552    -12.91516645
  H     17.33945680      5.57945316    -11.90326366
  H     15.11253355      6.82395613    -11.53697065
  O     17.95097288      8.84576738     -9.64464679
  H     17.68771504      5.82785781    -10.43043313
  H     11.89364052     10.79103663    -12.38654268
  O     14.66871326      7.15968415    -10.74466511
  H     14.27622296      9.65770638    -16.55790466
  H     13.15462104     10.96181947    -11.52142709
  O     12.48632067     11.45528961    -12.01580884
  H     15.54238063     10.41276735    -17.04839018
  H     13.95406370      9.64503653    -14.45874913
  O     13.22653295      9.37135749    -15.03768147
  H     16.26634588      6.71388551    -17.56557422
  H     12.41147155      9.48455155    -14.53596337
          69
 Energy    -248.09577584929411     
  O      6.78912349     -2.47873792     -3.70904152
  H      7.22376597     -2.10242400     -2.92993533
  H      9.80260639     -4.77422487     -1.42420946
  O      7.37346603     -3.68686668      0.16944301
  H      6.60029575     -1.73303661     -4.29312028
  H     10.50024051     -2.71259962     -1.07681612
  O      8.00253795     -1.38620644     -1.40060348
  H      6.74425883     -3.87738310      0.85939146
  H     11.72400975     -1.84934199     -1.44407322
  O      8.64869458     -0.47645625     -7.12266464
  H      7.07515826     -4.16398202     -0.62717026
  H     11.45875636     -2.19593857     -7.59312537
  O     10.23341379      2.17400175     -2.90781410
  H      7.71509444     -2.04026435     -0.75247559
  H     11.89459724     -0.71937870     -7.55489482
  O      6.79509090     -4.87204650     -2.19301414
  H      8.96950773     -1.37792166     -1.36834913
  H      9.31831281     -4.88752256     -3.81759116
  O     14.44661975     -2.04833184     -6.04360095
  H      8.95334460     -1.35310739     -7.38355661
  H     10.35806062     -5.78929769     -3.09914653
  O      6.65205066     -0.18666090     -5.31432193
  H      9.41904200      0.10056333     -7.19346022
  H      9.60253179     -2.90379447     -4.78445066
  O     12.14994553     -5.92814131     -2.99050316
  H     10.26338432      2.76275869     -2.15884401
  H      8.10685999     -3.26702801     -4.70348330
  O      9.75670880     -3.08049964     -7.63236367
  H      9.33689246      1.79851044     -2.92019710
  H     12.11295581     -2.99625157     -4.36404328
  O     10.75836773     -1.78959822     -4.15361295
  H      7.61737164     -5.27029002     -2.50838110
  H     13.51658484     -3.22887949     -4.96324277
  O     10.00565194     -4.38290356     -0.56026229
  H      6.60219199     -4.14306914     -2.79788506
  H     12.98515171     -5.31196489      0.45579526
  O     10.75964238     -1.83321732     -1.38865659
  H     15.20090777     -2.16228982     -6.61503482
  H     11.76808662     -4.72237582     -0.28842492
  O     12.23316263     -1.62348853     -7.54351869
  H     13.67841832     -1.88496078     -6.62077468
  H     11.35215708      0.95959889     -6.31165579
  O      9.44516103     -5.46683293     -3.05468019
  H      5.92759764      0.23367749     -5.77051920
  H     11.31036473      1.81533028     -7.60119670
  O      8.94998725     -3.56561895     -5.06860963
  H      7.37293439     -0.27822305     -5.96216201
  H     12.61078512      0.49197053     -4.27751159
  O     12.87497475     -3.59323803     -4.34156763
  H     12.48727298     -5.72257009     -2.11214962
  H     11.27981838      1.30156273     -4.00685715
  O     12.73193118     -4.83658542     -0.33184965
  H     12.46028022     -5.20904736     -3.56009591
  H     13.40267585     -3.22844454     -1.19887405
  O     11.09237549      0.95608899     -7.25099538
  H      9.44783301     -3.37687441     -6.75966756
  H     13.32810902     -2.90230120     -2.69510962
  O     11.76055457      0.76239719     -4.65270007
  H      9.50720469     -3.75836159     -8.25553793
  H     14.01829601     -0.96103136     -2.96422994
  O     13.45501821     -2.49575691     -1.82447192
  H     11.04338575     -0.90917438     -4.42656088
  H     14.32259906     -0.90973091     -4.47855108
  O     14.08388820     -0.36373739     -3.71802713
  H     10.68313177     -1.77364533     -3.18987165
  H      7.75031619      0.24469230     -2.31624822
  O      7.77387091      0.98450209     -2.93638645
  H      9.16151042     -4.19947656     -0.13146379
  H      7.38879282      0.65841472     -3.75809529
          69
 Energy    -248.09549005947903     
  O     20.85315338     11.71963302    -18.71949249
  H     21.25576056     12.53333098    -18.36584308
  H     20.43340063     18.54918525    -17.60073570
  O     16.17398397     17.77602075    -13.72238080
  H     21.49006196     11.32753118    -19.31008676
  H     15.46717549     13.07327212    -13.44732082
  O     22.26751263     14.47303755    -14.90989472
  H     15.72507785     18.54803966    -13.38849368
  H     16.62447189     12.11382517    -13.11151798
  O     16.76943880     12.10068001    -17.19399606
  H     16.52188622     18.01566866    -14.60138763
  H     20.33864815     16.89157399    -13.92643955
  O     18.50338121      9.50802732    -12.13867203
  H     23.13450032     14.49042043    -14.51295730
  H     20.79358347     17.34086557    -15.33098690
  O     15.47998643     10.30163210    -15.46669466
  H     21.87177677     15.34948606    -14.75509435
  H     18.99942895     12.39999024    -13.02056232
  O     21.71468016     14.06918500    -17.66932497
  H     16.27500574     11.39249955    -16.76239464
  H     18.40972731     11.27189700    -12.12644947
  O     19.23987270     15.51550781    -17.96047826
  H     16.40977748     12.92330543    -16.83321178
  H     17.13261660      9.44137972    -15.04571595
  O     15.45278115     15.04183669    -13.28662782
  H     18.68008740      8.66581629    -11.73005233
  H     18.59759095      9.74646299    -15.39496332
  O     20.07953381     12.77731767    -14.39347722
  H     18.35898150      9.32524415    -13.08340031
  H     17.28410211     16.19969586    -18.26051338
  O     18.44741718     13.22841409    -19.19671990
  H     14.61770484      9.89725024    -15.42740590
  H     16.07090353     15.81598884    -17.40557193
  O     20.02032231     17.97249651    -16.96180944
  H     15.51613499     10.95999734    -14.74844068
  H     18.42620359     15.92783827    -12.46373720
  O     15.74286385     12.15293213    -13.50511669
  H     21.98969279     14.20212654    -16.75418956
  H     17.86545522     17.11255614    -13.27767547
  O     21.09322271     16.89304954    -14.53027313
  H     20.96861869     14.66357983    -17.81318899
  H     16.87710082     17.79762854    -16.79052367
  O     18.34156569     12.21488536    -12.33514483
  H     19.01062652     15.30046808    -17.04134979
  H     18.21714469     18.37272285    -16.29876512
  O     18.04112456      9.20737847    -14.81879546
  H     18.96323892     14.76101940    -18.50419031
  H     17.47867336     14.62271690    -10.45812523
  O     16.41902338     16.51315646    -17.97921543
  H     16.11692473     14.87520470    -12.60464676
  H     17.89167064     13.74532997    -11.66218163
  O     18.66037088     16.58207268    -13.13505955
  H     15.53812617     15.98538065    -13.47717386
  H     19.87528441     11.20395697    -17.23674518
  O     17.27739907     18.34085888    -16.09489621
  H     20.91242651     13.24121979    -14.54197800
  H     18.44622451     11.51096522    -16.71028818
  O     17.59208198     14.63492193    -11.40502315
  H     19.92891874     12.15154469    -15.11802402
  H     19.05552973     14.10062966    -15.05634639
  O     19.30753077     11.14672212    -16.45864933
  H     19.20651559     12.63285173    -19.20231162
  H     18.60577540     15.53264942    -14.67036228
  O     18.57635215     14.87558328    -15.37636589
  H     17.76974869     12.79513128    -18.66105977
  H     15.51176007     14.62856820    -15.20309218
  O     15.95523025     14.51166274    -16.04903463
  H     19.77927562     17.16068757    -17.43743853
  H     16.89427879     14.63818125    -15.83525245
          69
 Energy    -248.09527749712211     
  O     12.22467787     11.36780991    -14.59065394
  H     11.90459925     11.11062197    -13.71766707
  H     15.04827800      6.35357472    -16.46520836
  O     15.40350547      6.60404136    -13.31316771
  H     12.93701025     12.00582662    -14.46335686
  H     19.04827497      5.57025974    -14.30002870
  O     17.42867933      9.98994127    -11.18113962
  H     16.24479177      6.72680690    -12.85619102
  H     18.94677230      6.98660618    -14.87030465
  O     17.81258445     10.17422073    -15.28103919
  H     14.71683562      6.74146871    -12.64588184
  H     16.76285266     11.47976963    -16.10840809
  O     11.98688256      6.87525801    -15.56411667
  H     16.75432249     10.46300273    -11.69091403
  H     15.62748441     11.35971650    -17.13156808
  O     15.84057367      9.29726747     -9.03379958
  H     17.02662208      9.81280545    -10.31932707
  H     14.63334951      9.18698000    -15.07429276
  O     13.70085067      7.16398137    -11.19689418
  H     16.97607435      9.79272156    -14.97279303
  H     15.39110063      8.21871181    -14.12000368
  O     15.32633998     11.08801211    -12.59138092
  H     18.34152068     10.42685568    -14.51057223
  H     11.23606920      9.36161278    -12.44164591
  O     16.14912507      7.37719024    -17.49224581
  H     11.35474185      6.34648764    -16.04318794
  H     10.30563887     10.44841007    -11.85228676
  O     15.99920853      6.48166972     -9.67717468
  H     12.85787065      6.45381147    -15.68742398
  H     18.25473880      7.02886827    -12.48739286
  O     18.79206372      7.94524345    -16.45686627
  H     15.85390847      8.33329432     -9.06804206
  H     17.64824903      8.19880137    -11.63694318
  O     14.46263660      5.89338301    -15.84651811
  H     14.99863687      9.56424712     -9.42625303
  H     12.17031756      7.32677472    -12.31302219
  O     19.00361146      6.48923472    -14.04216558
  H     14.35192722      6.80204805    -10.58361035
  H     11.65233763      7.37691752    -13.77645721
  O     16.00401180     11.95519254    -16.47255271
  H     13.68152218      8.11931271    -11.03521059
  H     18.74372328     10.52766955    -12.27643327
  O     15.37845633      9.12018347    -14.46471558
  H     15.11647123     11.88806392    -13.08547204
  H     20.06539344     11.19945417    -12.68326364
  O     11.20053944     10.28839704    -12.14024576
  H     15.28905533     10.36205627    -13.23445454
  H     14.19345131      9.71940921    -17.49922587
  O     17.65281691      7.23976850    -11.75960176
  H     17.05345902      7.51235673    -17.18796330
  H     14.46727234     10.01070677    -18.99280859
  O     11.49030702      7.70599665    -12.88433051
  H     15.82281130      8.24309986    -17.76317658
  H     12.73191396     10.12277007    -11.06309248
  O     19.29032243     10.77345236    -13.03972548
  H     16.33935929      5.74872051     -9.17043780
  H     14.21977882     10.38953917    -11.34694039
  O     14.89524332      9.91693095    -18.14518663
  H     16.65025628      6.66474372    -10.37570107
  H     15.05926435     12.69241018    -15.19765443
  O     13.62099682      9.92469869    -10.74426530
  H     19.49624078      8.13743086    -17.07116882
  H     14.59056459     13.99359649    -14.50726222
  O     14.55505012     13.04321940    -14.44146720
  H     18.49795779      8.79847257    -16.09155879
  H     12.72990205     10.07301472    -15.64486755
  O     13.14195844      9.36012020    -16.15785983
  H     14.86371011      5.97899029    -14.97159059
  H     12.65569576      8.54284680    -15.99844599
          69
 Energy    -248.09527381525908     
  O     -0.73660268      3.87446661      2.77111149
  H     -0.36381297      4.59330889      3.29503935
  H     -0.82814510      2.90765383     -3.47823040
  O     -3.12606586      5.22609345     -1.08876468
  H     -0.29262164      3.06532749      3.06354792
  H      0.81313447      8.36946290     -1.46835318
  O      4.22091864      6.70746593      0.80091472
  H     -2.96337926      4.58563380     -0.38229330
  H      1.03555246      8.67768146     -2.96959340
  O      1.65741451      7.13034115      1.80322420
  H     -2.25308999      5.50023508     -1.39836508
  H     -3.51403513      0.60088732     -1.61829930
  O     -0.47298644      5.67673056     -1.82799753
  H      3.91663270      6.51213198     -0.10394314
  H     -3.15619765     -0.82164216     -2.11584125
  O      2.71561058      3.05203632     -0.15386576
  H      4.99751503      7.25441812      0.71724477
  H      3.22112912      3.83259983      3.40324577
  O      0.67030451      4.83598760      0.53053478
  H      2.59794589      7.02118171      1.60598475
  H      2.07044366      2.94298008      3.95177659
  O     -0.82122559      1.58138341     -0.86057387
  H      1.46679563      6.75934607      2.67484818
  H     -4.08053531      4.37987380     -2.25672342
  O     -2.52856733      3.15076266      0.71819002
  H     -0.07872937      5.38848204     -0.98972931
  H     -5.28629395      4.29378214     -3.22322034
  O      0.31678336      8.85532106      0.13572041
  H     -0.00600515      6.47297454     -2.10283088
  H     -2.56203091      1.40932817     -3.48560036
  O      1.21638332      0.98165164      0.94259739
  H      2.01175125      3.67478774      0.08426321
  H     -3.16462494      2.80526668     -3.69114571
  O     -0.04316946      3.24387085     -3.02137023
  H      2.83543300      3.13985888     -1.10546877
  H      0.59210437      0.83595659      4.02009404
  O      1.07156563      7.97892356     -2.32189754
  H      1.04763958      5.63827752      0.91464482
  H      0.94615559      1.32141860      2.59347657
  O     -2.84435021      0.07845559     -2.09638158
  H      0.13887670      4.42168529      1.22184211
  H      1.71626945      3.47010346     -3.01911470
  O      2.56080380      3.75793608      4.10903116
  H     -0.47420638      2.13979075     -1.56837081
  H      3.11068915      3.29565788     -3.65983406
  O     -4.56855838      3.78571589     -2.85575553
  H     -1.43604785      0.95909239     -1.27023519
  H      1.52938074      5.09903712      4.18761195
  O     -2.42319654      2.24313166     -3.95098224
  H     -1.90005499      2.62417446      0.20192294
  H      0.76832543      6.14633877      5.03977299
  O      0.75604332      1.61893091      3.50225322
  H     -2.07438843      3.40430612      1.53001488
  H      3.83883809      3.60585144      1.21132994
  O      2.66113546      3.67064159     -2.90664439
  H     -0.56172768      8.98715192      0.48511629
  H      4.36479126      4.98022526      1.63119013
  O      0.87804036      5.82587066      4.14890244
  H      0.78419825      8.30549144      0.78545921
  H     -3.98197477      2.23884620     -0.13711034
  O      4.24361962      4.07929615      1.95106369
  H      1.88653355      1.57420382      0.57615953
  H     -4.68004512      2.45046449     -1.49618870
  O     -4.50975076      1.79039351     -0.81125001
  H      0.46350543      1.05993364      0.34150086
  H      3.06084987      5.39702620     -2.12755025
  O      3.23373409      6.23586315     -1.68524997
  H     -0.26092900      4.12597858     -2.68495569
  H      2.54224875      6.84508514     -1.97151155
          69
 Energy    -248.09527191592059     
  O      4.50936408     -8.13143393      4.01736391
  H      5.20717323     -7.62747922      4.45282282
  H      3.33215635     -9.47544993      3.99852230
  O     -0.49412312     -3.83279389      3.62475060
  H      3.78745047     -7.49383648      3.89714506
  H      0.11494861     -4.91248525      0.66248488
  O      2.32919730     -3.53449592      3.93951660
  H     -0.33717991     -3.82178555      2.66188179
  H      1.05214963     -3.69033886      0.89063309
  O      4.47953617     -8.75831466     -2.19701378
  H     -1.24199835     -3.26531513      3.79031608
  H      5.88717836     -5.35149366      4.74511251
  O      0.07947617     -6.89490175      0.53521246
  H      1.36941545     -3.53233821      4.03306427
  H      6.73801614     -6.03417927      5.83809657
  O      6.02812450     -8.83806053      1.67663315
  H      2.50448028     -3.34488468      3.00521783
  H      3.74715908     -2.80371428      1.26403841
  O      2.56795585     -6.29179304      3.61050165
  H      4.72768605     -8.85782364     -3.11141342
  H      3.14755117     -4.20021844      1.05172214
  O      6.29378407     -7.41255705     -0.74944590
  H      5.18233128     -8.23454286     -1.76821046
  H      7.33333063     -6.53053485      3.42970107
  O      2.05138069    -10.11117335      1.09880764
  H      0.92248399     -7.09117409      0.10243150
  H      7.31178668     -7.53718537      2.26209240
  O      3.70018935     -5.89357020      1.09629399
  H     -0.37167532     -7.74683209      0.59497427
  H     -0.10158908     -6.65741218      2.35003584
  O     -0.17900420     -9.36847880      3.74318365
  H      5.44588498     -8.62334103      2.41510239
  H     -0.39587972     -5.71562009      3.55184275
  O      2.62101581    -10.12464264      3.87429484
  H      5.61109677     -9.56168060      1.18677480
  H      5.39295182     -3.37046543      3.44027523
  O      0.14685329     -4.00947356      0.99958188
  H      1.63299991     -6.52303802      3.54562578
  H      4.19469116     -3.63920689      4.35897182
  O      6.30760031     -6.19123382      5.00151616
  H      2.59462932     -5.35553314      3.84617455
  H     -1.50544505    -10.13154004      0.90718697
  O      2.90624028     -3.27165136      1.19808494
  H      6.44702986     -6.49941484     -0.48793292
  H     -0.64345438     -9.57033140      2.06516723
  O      7.68870829     -6.69414998      2.54753659
  H      6.24859686     -7.90736799      0.08166847
  H      5.96689330     -3.38839566      1.31710221
  O     -0.15402479     -6.61959519      3.31690546
  H      1.09149638    -10.06696909      1.00963615
  H      6.24735487     -1.87473429      1.47114885
  O      5.13123993     -3.83942389      4.24161610
  H      2.24447758    -10.13117718      2.04506872
  H      3.72540363    -10.62686394      0.35860693
  O     -0.74440781     -9.58914360      1.09610651
  H      3.34149393     -6.09169284      1.97078201
  H      4.61471643    -10.14727506     -0.79939710
  O      5.62268190     -2.55914962      1.69547796
  H      3.37609317     -6.57477766      0.49364077
  H      3.09749944     -8.09742252     -1.17135749
  O      4.63925461    -10.60996285      0.04691268
  H      0.73427721     -9.60422380      3.94278402
  H      2.41673097     -8.62177327      0.11596923
  O      2.51503494     -7.83944796     -0.44594910
  H     -0.22934419     -8.40208232      3.78109771
  H      6.90281060     -5.53464978      1.42698698
  O      6.32899639     -5.02745755      0.83230937
  H      2.90883508    -10.92590255      4.30681696
  H      5.43586154     -5.39405287      0.92540256
          69
 Energy    -248.09523078077586     
  O     16.35095732      9.99518243    -15.34579806
  H     16.39216351     10.92046479    -15.06519859
  H     17.06888854      4.65183500    -15.23772244
  O     14.39314657      7.86931026     -9.79504718
  H     17.24817673      9.63840825    -15.39208370
  H     15.44022964      6.48283755    -12.47608912
  O     14.11662171      8.40853387    -15.52759470
  H     14.16280972      7.48519081     -8.95265561
  H     15.55925031      7.04228646    -11.02379539
  O     18.78753036      8.70525319    -15.23981092
  H     14.79860232      8.73251018     -9.60144959
  H     18.36716443      7.65626937    -16.63762578
  O     20.64925016     10.49692567    -14.19297989
  H     14.88201668      9.00289623    -15.53953021
  H     18.63783969      7.06661485    -18.03854395
  O     18.48897143      6.84998122    -13.20616615
  H     13.39578324      8.88993630    -15.10584642
  H     17.79481335     11.92189496    -11.27154921
  O     12.62643180      7.75161912    -12.05973389
  H     19.48668841      9.31700050    -14.97882363
  H     16.69377607     12.99050829    -11.15890488
  O     16.19760826     12.48730547    -14.14634334
  H     18.66268712      8.08458564    -14.50505052
  H     14.77518773      7.17078825    -16.80673767
  O     12.13594355      9.68271877    -13.88564742
  H     21.54959783     10.74229542    -14.39115077
  H     16.16011396      6.72552726    -17.34190462
  O     14.02536364     11.37855663    -12.67407324
  H     20.15758721     11.32567858    -14.06362502
  H     15.98097155      8.52828904    -12.40146562
  O     14.87578700     12.78069407    -10.47140755
  H     18.39911927      6.10921478    -13.82406242
  H     16.18497681      9.54879159    -13.56789434
  O     17.96082071      5.01632429    -15.19377218
  H     17.72178075      6.80834925    -12.62041976
  H     18.42137169     12.91249226    -14.45657140
  O     16.06520076      6.81634182    -11.81441841
  H     13.14932942      7.84822054    -11.25497567
  H     18.80342382     12.90974825    -12.98138271
  O     18.05042423      7.00931338    -17.28864401
  H     13.06419742      7.06877921    -12.58595107
  H     17.29548382      9.95513225    -11.46919518
  O     17.51723841     12.78540442    -11.61532345
  H     16.70823199     12.57588048    -13.32922504
  H     18.76585995      9.72335727    -11.03872051
  O     15.24008071      6.44783951    -17.24776414
  H     15.30454288     12.28298735    -13.84071255
  H     14.49367472      5.43483971    -14.30642065
  O     16.00773193      9.46711678    -12.62294998
  H     11.20227168      9.73533784    -14.07183817
  H     14.23526683      6.95890064    -14.39303478
  O     19.16817550     12.77532669    -13.86841588
  H     12.24639793      9.01086967    -13.18732168
  H     20.36800801      9.36224591    -12.62016643
  O     17.95979943     10.20394808    -10.80800276
  H     14.69579096     10.68658360    -12.55155706
  H     19.66338590      8.03190931    -12.27727737
  O     14.24155069      6.20576502    -13.78419390
  H     13.27773595     10.94606652    -13.10105479
  H     16.52933464     10.19072549     -9.60954469
  O     20.07508298      8.81310658    -11.88394791
  H     14.46222974     12.34828300    -11.23792180
  H     15.30767919     11.11798107     -9.53261145
  O     15.62175469     10.24368351     -9.27765348
  H     14.26861164     13.45414755    -10.17507061
  H     14.85597706      3.50903398    -16.01492099
  O     15.19647027      4.29636895    -15.59914827
  H     18.05504030      5.55822918    -15.98646834
  H     15.17183618      5.00446310    -16.26922757
          69
 Energy    -248.09520466234488     
  O     -1.11101959      3.78141454      2.68849155
  H     -0.53966637      3.06492661      2.99303386
  H     -0.62803147      8.34054731      0.97563790
  O     -2.56304518      5.84753541     -0.61741277
  H     -1.74985486      3.44073727      2.04746262
  H      1.91783844      1.69779401      0.49657496
  O      3.62908481      7.11436746      0.98706195
  H     -2.60189627      6.53110643      0.06352807
  H      0.49207593      1.18400201      0.24472972
  O      1.64262355      6.77045038      2.80645746
  H     -1.69833462      5.92746971     -1.04306661
  H     -0.08754033      4.35983808     -2.60304693
  O      0.04570448      5.81970372     -1.57864475
  H      4.03012049      6.23674764      1.02718869
  H     -0.93895805      3.43980158     -3.53744430
  O      2.80266263      3.22474469     -0.13914946
  H      3.22990752      7.22136846      0.11690534
  H      2.16118416      8.68915979     -1.71320598
  O      0.74363541      4.83723635      0.86414429
  H      1.92997234      5.97457801      3.28199189
  H      1.32070897      8.20009037     -0.51092204
  O     -2.40775864      7.76121427      1.41526350
  H      2.40129169      7.04237572      2.26564875
  H     -2.93324291      1.65438143     -3.24203775
  O     -0.85322356      1.74149360     -0.91792689
  H      0.25290547      5.44274565     -0.70806487
  H     -2.27881459      1.04794192     -1.98927048
  O     -1.14388970      6.46063891      3.41213651
  H      0.66359239      6.55157435     -1.68925393
  H      2.07924063      3.54968958      3.58579588
  O     -2.71783027      3.28937294      0.50487930
  H      2.05073342      3.76441746      0.14626129
  H      3.32086328      4.29211904      3.02934879
  O      0.32044021      8.49361798      0.89457890
  H      2.77403959      3.13907739     -1.10237866
  H     -3.72780006      5.12272772     -1.87701317
  O      1.23743895      1.11363367      0.85601423
  H      1.12628790      5.53000144      1.41559577
  H     -4.61098186      3.85828311     -1.95153062
  O     -0.12810592      3.48430190     -3.01650018
  H      0.07976059      4.40725068      1.41732333
  H     -2.92820280      3.42046264     -5.16659529
  O      1.88560711      7.90316109     -1.24833690
  H     -3.04416661      8.37985389      1.76394433
  H     -3.20816697      3.78656752     -3.68933393
  O     -3.08461559      1.02850586     -2.52302082
  H     -2.02043232      7.29538048      2.17907955
  H      1.04267076      1.60414585      2.49841093
  O      2.59613162      4.35973003      3.66365040
  H     -0.52564412      2.31380393     -1.62494147
  H      0.98182345      1.27006100      4.00887894
  O     -4.21296921      4.55346146     -2.48973218
  H     -1.46593091      2.27491830     -0.39245028
  H      2.83559400      2.24788094     -3.50335583
  O     -2.62457095      3.27147078     -4.27524497
  H     -0.19940356      6.65522020      3.39296575
  H      1.62012616      3.06645615     -3.03727695
  O      0.91458969      1.98771442      3.38473465
  H     -1.21423691      5.50335876      3.28496374
  H      5.43360032      4.08247461      1.49075147
  O      2.55756604      2.89201678     -2.85684850
  H     -2.66779337      4.18854524      0.14873720
  H      4.01904583      3.93312926      0.87949859
  O      4.55048262      4.44150141      1.51684846
  H     -3.53721812      2.90404338      0.17142504
  H     -5.69512351      1.73311283     -0.76014980
  O     -4.90782130      2.24774506     -0.91342817
  H      0.72193081      8.05826941      1.65616961
  H     -4.33213829      1.71958365     -1.49565664
          69
 Energy    -248.09501906449913     
  O     15.23452568     12.49785232    -16.63746801
  H     14.65830307     13.25429049    -16.70262446
  H     18.90200364      5.78535318    -12.73388631
  O     15.16137440      6.64647990    -12.83423361
  H     14.71452942     11.78597903    -16.22324743
  H     18.07861437     10.58042996    -18.11210751
  O     18.84603042      9.06814439    -11.96118996
  H     16.04772303      6.62815191    -12.44236626
  H     19.53212441     11.00614345    -18.41678411
  O     18.48573789      5.93007373    -17.53914585
  H     14.93660993      7.57475524    -12.99072254
  H     16.70066261      7.17293663    -15.22275800
  O     15.58747948      5.79537368    -17.92950921
  H     19.58655457      8.81652972    -12.52462041
  H     17.90822048      8.03705293    -15.70517272
  O     14.50360782      9.76621062    -10.22984269
  H     18.24953281      9.58624832    -12.52507721
  H     13.98581505     10.02591975    -14.71726398
  O     17.13361285     10.25507019    -13.70729467
  H     18.51141603      5.25110139    -16.85245741
  H     14.11840444      9.66505538    -16.21888311
  O     18.31205788      4.12647470    -15.30933200
  H     17.57470088      5.94234739    -17.85367235
  H     16.80475642      6.07945909     -8.18690759
  O     14.33987777      6.91710640    -10.09563986
  H     15.07848108      5.10243643    -18.34247095
  H     15.87640635      6.64726512     -9.28949380
  O     19.58037323      8.17886400    -16.42227382
  H     15.56747104      5.62430911    -16.97130450
  H     20.36159391      8.17422340    -14.82319048
  O     15.85419563      5.47059991    -15.22452499
  H     15.45657491      9.71519386    -10.03546583
  H     21.65364301      8.31387882    -13.99008045
  O     19.54893593      5.55191489    -13.41484979
  H     14.14970579     10.46602361     -9.68757822
  H     17.48513167      6.45485858    -10.70141505
  O     18.99176319     10.55394703    -17.77354637
  H     17.40473268     10.99752002    -14.26417802
  H     18.06142266      7.45722107    -11.73953132
  O     17.01878501      8.07651314    -15.33020341
  H     17.08227568      9.47665787    -14.28503614
  H     17.83550084      9.39546921    -10.35080139
  O     13.87688449     10.37546564    -15.61025909
  H     18.57939027      3.21320004    -15.25577936
  H     17.15239741      8.48530824     -9.30804585
  O     16.79957576      6.60763506     -8.97991216
  H     18.81620336      4.60773140    -14.62772088
  H     15.92419448      9.91466770    -18.27502272
  O     20.72367187      8.11023560    -13.92314839
  H     14.22848450      7.87686855    -10.08564778
  H     15.98261627     11.42789609    -18.02539052
  O     17.68170910      6.57132487    -11.63891493
  H     14.43205736      6.67598912    -11.02609264
  H     15.47705102      9.81228614    -13.21547471
  O     17.14874463      9.37928974     -9.67287593
  H     19.42813893      8.97953892    -16.94255624
  H     14.43458854      9.60239664    -12.09512770
  O     16.40189063     10.71700013    -18.52654726
  H     19.31714033      7.40584280    -16.94586844
  H     18.31600590     11.66105598    -16.27442085
  O     14.61347036      9.41408010    -13.02430514
  H     15.50473266      5.72495105    -14.35886670
  H     16.97771679     12.35301074    -15.93688402
  O     17.84293413     12.12111013    -15.57217865
  H     16.63631074      4.91466217    -15.10773549
  H     15.81332178      8.48626440    -16.63081260
  O     15.15179668      8.52058064    -17.33848048
  H     20.05444256      6.35498290    -13.58323738
  H     15.14644490      7.63580574    -17.71954592
          69
 Energy    -248.09499330869335     
  O     19.25186867      9.91024962    -14.84065733
  H     18.48161136      9.67275353    -15.36857641
  H     15.62169091      9.39212048    -13.60216901
  O     15.68267725      8.44082946     -9.97094533
  H     19.85834677      9.15512095    -14.88787439
  H     18.66471668      7.48198791    -13.91337320
  O     12.60862515     10.10934339    -13.16300959
  H     15.25706171      7.65924281    -10.35565056
  H     17.57148749      7.98916184    -12.92500499
  O     16.92747774      8.98321063    -16.29823849
  H     16.45046191      8.11245497     -9.48604081
  H     14.95619725      5.93857547    -14.09956424
  O     11.66161855      7.38631363    -13.18874367
  H     12.10754951     10.91932216    -13.20858964
  H     14.55093666      7.44092148    -14.06552976
  O     14.47595899      6.19319340    -11.07378900
  H     12.81331274      9.96012983    -12.22210974
  H     18.69514959      7.71724121     -9.44590403
  O     20.34628444      6.33857812    -12.08182796
  H     16.20003613      9.07658102    -15.66178201
  H     18.33291777      7.08363115     -8.08447393
  O     16.99584132      5.02620215    -10.56857472
  H     16.64719960      9.43012471    -17.09451798
  H     19.23464693      5.51282692    -16.37929624
  O     17.66429876      3.25656666    -12.51625959
  H     11.82384052      8.33165117    -13.29493598
  H     20.51262106      4.82192291    -16.91060838
  O     20.55648110      7.52580128    -14.63113613
  H     12.45703557      6.95202180    -13.52881156
  H     12.60822622      8.68180855    -10.39564403
  O     20.26786860      3.97646028    -13.47964276
  H     14.43163272      6.29864256    -12.03476049
  H     14.00318959      9.31111628    -10.23308593
  O     15.00293537      9.22557903    -14.33153370
  H     13.57236094      6.29127812    -10.74981381
  H     19.78111899      9.23556080    -11.01324503
  O     17.97079415      7.19799758    -13.30593648
  H     19.42218822      6.54004673    -12.29219100
  H     20.25916339      7.76200022    -10.94031138
  O     14.25568588      6.55013794    -13.83425799
  H     20.49242944      5.45023828    -12.43712886
  H     19.64419198     11.53047714    -12.13536549
  O     17.99529562      7.24435139     -8.96179799
  H     16.08885560      5.33247092    -10.70397816
  H     19.30948437     10.44610165    -13.18708523
  O     20.11572070      5.18646419    -16.12394116
  H     17.42457855      5.69848900    -10.02880731
  H     17.03264619      5.84722079    -13.91594640
  O     13.11226802      9.48923895    -10.55922465
  H     17.46120265      2.38187363    -12.19547263
  H     16.82290688      4.32426548    -13.81432768
  O     19.90770876      8.49387324    -10.41178510
  H     17.47983187      3.87114176    -11.78271630
  H     17.15082272      5.72659637    -15.92923013
  O     19.27710696     10.65625421    -12.23603435
  H     20.73860662      7.18308861    -13.74631883
  H     17.40912594      7.11987093    -16.54888765
  O     16.53718873      5.10457973    -14.30211439
  H     20.51713203      6.75790623    -15.21523484
  H     11.64699580      7.04066854    -11.46801510
  O     17.64757829      6.18880676    -16.61962287
  H     19.39746619      3.65692609    -13.20929218
  H     11.01633532      6.56056202    -10.13728494
  O     11.81052934      6.92892767    -10.51371615
  H     20.18207130      4.27352382    -14.39350865
  H     17.55450935     10.01634072    -12.13909529
  O     16.75085592      9.49825333    -12.26896276
  H     14.15712632      9.60486316    -14.06268235
  H     16.41306694      9.21745630    -11.40735617
          69
 Energy    -248.09491420715381     
  O     10.59868585     11.09403792    -12.23481155
  H     11.32260052     11.07113559    -12.88092902
  H     16.06054956      4.77544347    -17.18177491
  O     14.48338515      6.75360895    -14.73637259
  H      9.96304548     11.71845129    -12.57523906
  H     18.30533816      6.87677529    -14.47813706
  O     17.19102246     11.13981160    -11.40836247
  H     14.98872783      6.23582819    -15.37249115
  H     17.69038603      6.28198318    -15.77009516
  O     18.29272189      9.05929391    -17.02762160
  H     15.01519922      7.53348581    -14.51348836
  H     14.34132852     12.69019334    -16.49525732
  O     12.20089953      8.28383422    -15.02410684
  H     17.57053554     10.34460352    -11.01702207
  H     15.22579283     11.56979422    -15.90223173
  O     15.93715200      7.42357218     -9.47235434
  H     16.24540582     10.96507892    -11.50791657
  H     16.25969247      9.57757505    -14.52194852
  O     13.63411527      6.01754917    -12.22991847
  H     18.39294649      8.29172130    -16.43666438
  H     15.47923919      9.37623737    -13.19346630
  O     14.56835928     10.30347747    -11.95776490
  H     19.08054165      9.09528302    -17.56368166
  H     10.63766615      9.68457410    -11.18162230
  O     15.84748745      7.82874220    -17.98437171
  H     12.98884883      7.72087106    -15.03329890
  H     10.01065751      8.88588284    -10.01472758
  O     16.22688233      5.27676673    -11.34970092
  H     11.61044614      7.88071870    -14.37225644
  H     10.79165610      7.58841826    -12.12125816
  O     16.83462621     10.94107059    -15.60455311
  H     16.00377270      6.59093205     -9.95635561
  H     11.76451991      6.49721907    -12.59894612
  O     16.14849766      5.54182131    -16.62251510
  H     15.05572327      7.76870097     -9.66584766
  H     17.91246872     11.84182607    -12.83755671
  O     18.39861991      6.84889121    -15.43780445
  H     14.41735316      5.60140130    -11.85158469
  H     18.80456677     12.94307130    -13.43666729
  O     14.30519912     11.85084010    -16.04380833
  H     13.88138418      6.23180375    -13.14255936
  H     18.05958801      7.69490016    -11.92886839
  O     15.93561458      8.90969404    -13.90673820
  H     13.89413042     10.57254200    -12.59550757
  H     17.09826498      7.81188537    -13.13001709
  O     10.71048607      8.86539998    -10.66226224
  H     14.17574283      9.62302226    -11.39373315
  H     17.37988728      8.29003611     -9.93874505
  O     10.99677750      7.01630967    -12.86986472
  H     15.06205695      8.36191081    -17.79074426
  H     18.84313077      8.68359902     -9.62899510
  O     18.26767517     12.19225444    -13.67306241
  H     16.61894117      8.37035861    -17.78716284
  H     13.80321909     10.22900489    -16.96535885
  O     17.71144560      7.20592312    -12.68502904
  H     16.70312389      4.45081307    -11.32120096
  H     12.97922539      8.96837700    -16.66486206
  O     18.18623978      8.68175405    -10.32029018
  H     16.75872105      5.88757147    -11.88718779
  H     13.48339341      7.46564612    -11.13531221
  O     13.62060525      9.33776799    -17.28379507
  H     17.40033796     10.37911803    -16.14939099
  H     12.51203071      8.44881434    -10.43240419
  O     13.44409441      8.21781972    -10.52586486
  H     17.39074209     11.41738141    -14.96772712
  H     13.20966816     11.26599163    -14.66077013
  O     12.70839139     10.79532543    -13.98419324
  H     16.01233758      6.32446079    -17.19079552
  H     12.51842402      9.91235511    -14.33739810
          69
 Energy    -248.09461194542928     
  O     11.50067350      9.90795700    -14.57595932
  H     11.71706324      9.10746354    -15.07824247
  H     15.97287926      5.73488866    -14.12119648
  O     16.30283086      7.10125062    -12.88500595
  H     12.06376250     10.60212420    -14.93074117
  H     19.08892279      8.93297027    -15.72595471
  O     17.01798914     11.13453132    -12.24347933
  H     15.77945825      7.65462430    -13.48729653
  H     20.53926517      9.36325584    -15.40130237
  O     15.74685585     10.24860203    -16.40283254
  H     15.84072671      7.13984185    -12.03731162
  H     14.46321055      9.47468794    -13.83181680
  O     12.82224268      5.19630063    -14.40267367
  H     16.71388533     11.15052567    -11.32366840
  H     13.91449990      8.33443193    -14.75849630
  O     15.89613196     10.82020059     -9.72455013
  H     17.51839405     10.31359011    -12.34492911
  H     11.19832051      9.34545802    -12.94170356
  O     14.78944708      7.53602939    -10.57727080
  H     15.44899959      9.62323873    -15.72098340
  H     10.13149935      9.02661466    -11.87094214
  O     14.37515064     11.13123690    -13.01890081
  H     16.43280476     10.79599467    -15.98703500
  H     18.99694723      8.53934040    -10.88705968
  O     16.37611007      6.08561738    -17.31297649
  H     12.27883065      4.41387735    -14.36400321
  H     20.00838839      8.85300969     -9.77220873
  O     16.75275558      8.26096934     -8.68013733
  H     12.73862963      5.63890153    -13.53780088
  H     13.34009316      6.73170692    -11.49798422
  O     17.91623078      8.39612071    -16.87367434
  H     16.22137428     10.02994685     -9.27736374
  H     12.02480705      7.31601315    -12.06181301
  O     15.62828014      5.22847467    -14.86837189
  H     14.96067605     10.64996573     -9.89262557
  H     18.48197566     10.91034619    -15.02222645
  O     19.65284636      9.35230204    -15.05083079
  H     15.43333033      7.64932332     -9.86784810
  H     17.51418210     11.57385266    -14.03103203
  O     14.71458915      8.71852592    -14.37857433
  H     14.32523807      8.38307097    -10.65095753
  H     17.78148231      8.09438348    -12.73388975
  O     11.06407077      8.95860215    -12.05849549
  H     15.32268278     11.23630372    -12.84530998
  H     18.95110224      8.88531389    -13.41207211
  O     19.16194284      8.44452230     -9.93476408
  H     14.14245989     11.59478897    -13.83022695
  H     14.79709836      8.86799101    -17.59934087
  O     12.59334059      6.53637164    -12.07745259
  H     16.12631899      5.75004443    -16.43335619
  H     15.03460769      7.34902510    -17.70772984
  O     17.71822278     11.49821464    -14.97225192
  H     16.58548405      5.32522749    -17.84858741
  H     12.49385347      9.64615112    -11.02694944
  O     18.48359403      8.74430305    -12.57996812
  H     16.87516215      8.01279248     -7.76745546
  H     13.69112776     10.44903787    -11.54948357
  O     14.35460170      8.03271362    -17.78073772
  H     17.63650458      8.28230711     -9.08602691
  H     14.26367906     11.32724738    -16.03819858
  O     13.37443458      9.95114739    -10.77915033
  H     17.48880677      7.54519147    -17.03128479
  H     13.39159404     12.59315686    -16.15744574
  O     13.53194719     11.81222761    -15.62686676
  H     17.20838797      9.05039523    -16.87661536
  H     13.06949225      7.69773241    -16.56337308
  O     12.52338291      7.64102707    -15.76463992
  H     14.67987321      5.13742962    -14.71451551
  H     12.55985093      6.73770676    -15.42764021
          69
 Energy    -248.09447426496502     
  O     13.03525933     12.18815775    -14.76061941
  H     12.48539049     11.75001075    -14.10080697
  H     13.67300592      6.83408689    -16.82274373
  O     15.12910182      6.84036701    -14.04875331
  H     13.03162346     11.61434344    -15.54010145
  H     17.88617111     11.15016626    -15.38940760
  O     17.28112665      9.09557551    -11.21900619
  H     15.98358902      6.69750502    -13.62507771
  H     16.59745935     12.01739543    -15.19956338
  O     19.48286052     10.48389265    -14.74768991
  H     15.14407308      7.75373934    -14.37806482
  H     15.91120115      9.92986510    -15.21460106
  O     12.01204098      7.76210544    -16.73218067
  H     16.72095786      9.73282815    -11.68551653
  H     14.40838745      9.66466758    -15.42373889
  O     15.35065877      8.26894069     -9.43361185
  H     16.74560087      8.76733282    -10.48323492
  H     10.73527179     11.08094484    -12.35310653
  O     13.19485015      7.01397810    -12.13201552
  H     19.56634229     10.41092428    -13.78162834
  H     12.10276447     10.40316422    -12.12048666
  O     15.47546945     10.74603333    -12.49100141
  H     20.34701787     10.71341595    -15.08081640
  H     17.13788760      5.40052089    -11.83757891
  O     16.82625486      7.64352143    -17.60713015
  H     11.21601104      7.44514355    -17.15060906
  H     17.10599826      3.87872343    -11.63066200
  O     14.48308940      5.59749268    -10.04439748
  H     11.80665796      7.86945741    -15.78554958
  H     11.97484295      7.66484861    -13.40742437
  O     18.41133108      7.84059884    -15.21292237
  H     14.61213154      8.79610911     -9.76053336
  H     11.43228182      9.06478444    -13.75190804
  O     14.54863487      6.43812085    -16.74101855
  H     15.07983119      7.34881677     -9.54038115
  H     20.28140288     10.27127428    -11.31931422
  O     17.01184177     11.34160060    -15.75131926
  H     13.48097271      6.45809387    -11.39840343
  H     18.86007013      9.80234710    -11.66303815
  O     15.15813439      9.43930399    -14.85893411
  H     13.86219680      6.90308582    -12.82783006
  H     17.54732175      7.58851140    -12.24348633
  O     11.50351771     10.74121982    -12.80629913
  H     15.29216275     10.21865300    -13.28479453
  H     17.99658805      7.10007738    -13.65452199
  O     16.72518936      4.69392867    -11.31427631
  H     15.55314765     11.65345736    -12.80444728
  H     16.24516728     10.78259223    -17.39154914
  O     11.52971811      8.17081658    -14.09936194
  H     17.18681370      7.12570506    -18.32306333
  H     16.11482245      9.36979229    -17.97537799
  O     19.65757246     10.20937779    -12.03805415
  H     16.00519561      7.19772130    -17.33290419
  H     13.31420518      8.71111635    -11.46205460
  O     17.63267939      6.80634850    -12.80531864
  H     15.27403544      5.23437974    -10.47939080
  H     14.11262332     10.05395783    -11.52118731
  O     15.73758614     10.25748135    -18.02506434
  H     14.21052116      4.95787127     -9.39157560
  H     15.48545431     14.02095472    -13.98661965
  O     13.35899070      9.61084588    -11.10298630
  H     18.80339828      8.71908145    -15.15973682
  H     14.59492478     12.80627931    -14.34405335
  O     15.49445124     13.07220073    -14.07474959
  H     17.89436000      7.80899145    -16.02702478
  H     12.80248717      9.45211508    -16.91348557
  O     13.28402316     10.27483166    -16.76687357
  H     14.71964568      6.37264526    -15.79085822
  H     14.06111698     10.28319885    -17.34765742
          69
 Energy    -248.09422029220730     
  O     12.51506665      9.84716881    -14.81591409
  H     12.86350216     10.02370887    -15.69841326
  H     16.18020498      5.12721756    -15.34858680
  O     16.81772612      6.58706661    -12.59485537
  H     13.17771468     10.18135919    -14.19314795
  H     19.34678762      8.73714202    -15.15596001
  O     16.99624174     11.08746782    -11.88910938
  H     16.72820545      5.83904281    -13.20447266
  H     20.74515484      9.17817289    -14.67045682
  O     16.41689692     10.16090405    -16.22613338
  H     16.05110086      6.56913109    -12.00698455
  H     14.83122711     10.31689676    -16.95396714
  O     13.42414966      5.12537625    -13.18887325
  H     16.84870360     11.26164195    -10.95175963
  H     13.81081195     10.90667543    -17.95420611
  O     14.36802372      9.49288833     -8.79020858
  H     17.48560137     10.25224937    -11.93634549
  H     16.07240346      7.65132100    -13.88452651
  O     14.46503234      6.53896187    -11.05893197
  H     16.94840898     10.77719742    -15.70176985
  H     14.79674334      7.74162436    -14.77912602
  O     14.58185821     10.31371106    -12.99626167
  H     16.17091127      9.43832427    -15.62603609
  H      9.88175930      9.44324344    -12.82949072
  O     16.54228607      5.94975549    -17.02650207
  H     12.87476494      4.40219486    -12.89588992
  H     11.23070947      9.44038004    -13.56547111
  O     15.79884741      6.98707183     -8.65050348
  H     13.77155245      5.55028408    -12.38759383
  H     17.52861800      9.53690975     -9.15081762
  O     18.36705114      8.12445438    -16.48307334
  H     14.75442583      8.62882865     -8.60375058
  H     18.21742969      8.62248528    -10.18311967
  O     16.08051048      4.75488583    -14.46252327
  H     13.78287637      9.35961961     -9.54787808
  H     18.76988214     10.83801170    -14.46113972
  O     19.82079781      9.18895234    -14.43585743
  H     13.93415534      7.34706434    -11.12406386
  H     17.71670938     11.56063374    -13.60096843
  O     13.91582007     10.24219520    -17.27796648
  H     14.88949399      6.55716168    -10.19146773
  H     19.03080602      8.84292782    -12.79553261
  O     15.56647899      8.23159022    -14.46521403
  H     15.34693379     10.74598445    -12.59709766
  H     17.94288053      7.90258352    -12.21689648
  O     10.76983665      9.09729732    -12.78381868
  H     14.94389747      9.56895739    -13.50127012
  H     15.68041205     10.63865991     -8.98596415
  O     17.85135157      8.63798383     -9.28878928
  H     16.76444665      5.38676050    -17.76475734
  H     16.49400148     11.83820999     -8.44524746
  O     18.07546335     11.50758500    -14.49600084
  H     15.77028147      6.47328395    -17.30282293
  H     14.19326029      8.33725434    -17.70879920
  O     18.46188565      8.69930816    -12.02951315
  H     16.58503145      7.51652202     -8.87718349
  H     13.75536601      7.13111202    -16.87668520
  O     16.48958606     11.16395388     -9.11918600
  H     16.03243921      6.46221278     -7.88975607
  H     13.61115866      9.45579261    -11.76249671
  O     14.30180082      7.38308436    -17.63588063
  H     17.76741425      8.86827309    -16.62847838
  H     12.16859294      8.91738271    -11.59965306
  O     13.04766497      8.90304033    -11.20049930
  H     17.83263853      7.33309063    -16.61399430
  H     13.03154449      6.43351939    -14.44745223
  O     13.10213259      7.06325600    -15.17537622
  H     15.14215080      4.76872358    -14.24498190
  H     12.71119629      7.90528497    -14.91123287
          69
 Energy    -248.09412732603516     
  O     -7.07950687      2.72047058     -0.27345861
  H     -7.08122673      2.72679535      0.69142287
  H     -6.31601974     -0.67090996      1.45349222
  O     -3.99355884      3.34080208     -3.19030303
  H     -6.44594744      3.39229877     -0.55194038
  H     -3.27256421     -0.30673094      3.54891659
  O     -6.90576662      2.47318765      2.53905187
  H     -4.32417601      2.43683940     -3.08877967
  H     -3.72660175     -1.56530677      4.33214608
  O     -2.75147985     -1.71203226      0.95973257
  H     -3.04593917      3.29666781     -3.00582047
  H     -0.61665575      1.30851499      1.09195847
  O     -0.73264243      0.35420788     -2.37492597
  H     -6.64752118      1.53724186      2.45852044
  H     -1.40996867      2.64410017      1.16992607
  O     -4.87879932      0.78722286     -2.46472227
  H     -7.60953048      2.51204102      3.18178677
  H     -3.43777022      2.33850835      0.34998123
  O     -4.30708284     -2.90379358     -1.02723058
  H     -3.13991589     -1.67965312      1.84326065
  H     -3.75989036      3.81201711     -0.04428430
  O     -3.03350039     -1.26878206     -2.75747347
  H     -3.30781142     -2.25366113      0.38541392
  H      2.59289047     -0.39112538      1.20722991
  O     -1.48946349      3.00957883     -1.96314224
  H     -1.07311509      1.25905275     -2.31763520
  H      1.26923005     -0.56862749      0.44226081
  O     -0.50795455     -0.33302531      0.30898890
  H      0.22677762      0.43080701     -2.45250276
  H     -7.44656133      1.30892922     -1.21149109
  O      2.05944737      0.78425878     -2.03555394
  H     -5.83262417      0.65186704     -2.41595421
  H     -8.40401387      0.59600906     -2.19722310
  O     -6.00804958     -0.04396263      2.12731521
  H     -4.56844249      0.78027109     -1.54684134
  H     -3.07188278      1.91506064      3.53199670
  O     -3.79511411     -1.12932175      3.48753224
  H     -4.34032763     -3.79347218     -1.36880161
  H     -1.68299697      1.47788599      3.03476552
  O     -0.62925927      2.18558196      1.50490075
  H     -3.83139011     -2.36743537     -1.68800239
  H     -7.00840433     -0.95964899     -0.66372223
  O     -3.10080782      3.24939071      0.38460125
  H     -3.69327383     -0.56709146     -2.85171518
  H     -5.91558884     -2.03566837     -0.42331433
  O      2.23510679     -0.55135419      0.33730283
  H     -2.17948693     -0.82160237     -2.72043393
  H     -4.79676429      0.58050055      0.80550974
  O     -7.56884319      0.50333063     -1.74705009
  H     -2.04910915      3.11784987     -1.18423596
  H     -3.47165561     -0.05924692      0.36433894
  O     -2.43620432      1.18388394      3.55701436
  H     -0.58956270      3.20683968     -1.66338978
  H     -4.74334917      4.21485804     -1.89990064
  O     -6.65747364     -1.57805721     -0.01007179
  H     -1.21581204     -0.93006947      0.58562186
  H     -5.21674478      5.52619233     -1.22184753
  O     -4.04545045      0.70064368      0.21121962
  H     -0.64138734     -0.13985239     -0.62961730
  H     -5.14030245      3.09561644      2.92847953
  O     -5.07943567      4.59537603     -1.06753807
  H      2.24053802      0.27342470     -1.22792259
  H     -3.83145510      3.43828971      2.19238916
  O     -4.19960786      3.25934378      3.06542539
  H      2.84692339      0.74182484     -2.57181942
  H      1.43937761      2.40009626     -1.12328660
  O      0.96800575      3.15340745     -0.74799446
  H     -5.33360707     -0.47544117      2.66600772
  H      0.63262617      2.87291338      0.11285258
          69
 Energy    -248.09412649826427     
  O      1.62232531      7.12112246     15.74538738
  H      2.36164652      6.96630055     15.14550106
  H      2.34184982      7.86034064     20.45067075
  O     -2.01697624      6.01031550     17.90133481
  H      1.58264851      6.33097777     16.31006157
  H      0.89719191      4.60331832     17.85567306
  O      1.68872260      4.59051017     20.75634737
  H     -1.62119697      6.09375568     17.02134067
  H      2.34883397      5.16074618     17.95944716
  O     -0.50538206      2.05155373     17.10332344
  H     -2.87453521      5.58691798     17.77188772
  H      3.26856819      5.29479201     14.05431520
  O     -4.32227573      4.63615375     17.07975043
  H      2.46901989      4.82999594     20.23199937
  H      4.28350655      6.31251354     13.48498536
  O     -0.31385954      3.46568869     14.66753413
  H      1.39327999      5.40839898     21.17622194
  H      2.58204671      3.49248926     16.65676061
  O     -0.94890793      6.09376496     15.32211169
  H     -0.55995944      2.69814154     17.82394376
  H      2.84506517      1.99141954     16.88340713
  O      2.39951163      3.78766241     13.91579190
  H      0.24773870      1.48912550     17.31542037
  H      1.98436609      1.14259330     18.87901146
  O      3.69108636      5.51356580     19.08940823
  H     -4.15289122      4.93273303     16.16677262
  H      2.05102881     -0.16480489     18.05711065
  O     -0.64254177      7.89641757     19.44575658
  H     -5.25213793      4.76895153     17.24476067
  H     -3.19818693      2.10757150     13.04902149
  O     -0.43496532      4.02203315     18.98803911
  H     -1.09843886      3.18770147     14.17839217
  H     -3.04156508      2.42470619     14.55798517
  O      2.97316879      8.07163784     19.75207804
  H     -0.30725439      2.96130447     15.49298205
  H      2.79395051      1.61034763     21.20322019
  O      1.64752461      4.91376516     17.33775716
  H     -0.13668841      6.61289076     15.31024312
  H      1.98797266      2.78916886     20.65170171
  O      3.75399986      6.11654547     14.25315561
  H     -0.69130958      5.18544407     15.10258376
  H      1.25704060      9.91416531     17.26948674
  O      3.15673240      2.75712610     16.39042117
  H      2.77314730      3.26418961     14.63852528
  H      1.41145154      8.41338415     16.93542011
  O      1.87447403      0.77011560     17.98729962
  H      1.44332662      3.70937074     14.02479027
  H      0.57678990      7.58558006     22.33726230
  O     -2.84709021      2.74965280     13.65940334
  H      4.29504643      5.39460374     18.34286495
  H      0.26335417      7.41282468     20.83134119
  O      2.21438068      1.86149002     20.48714088
  H      3.60401280      6.46010828     19.27991240
  H      4.65551146      5.44349132     15.90944894
  O      1.25885200      9.04337061     17.65923286
  H     -1.22425385      7.31672825     18.93779657
  H      4.55410605      4.07069638     16.58488115
  O      0.87387038      7.14830578     21.54398034
  H     -0.07257821      8.34212319     18.80655339
  H     -3.58338239      2.86781772     16.69358808
  O      4.93898298      4.95175841     16.68845156
  H      0.16207147      4.26826624     19.70526593
  H     -2.32228988      1.96549171     16.63413410
  O     -3.20732211      2.08951696     16.26506233
  H     -1.01221722      4.76827643     18.77324001
  H     -2.71711598      5.78656211     14.70066994
  O     -3.57598015      5.36354802     14.56561318
  H      2.45894347      8.48505425     19.04772965
  H     -3.39442591      4.54035004     14.09439105
          69
 Ord_Energy   -248.093796    
 O    7.48148632       3.42250133       1.88174760    
 H    7.54500484       4.38263559       1.77958524    
 H    6.67539978       3.23413730       2.37301850    
 O    5.17139435      0.822692573      0.685535312    
 H    5.98640060       1.12707436      0.266327202    
 H    4.57590437      0.585403264      -3.46448012E-02
 O    1.35274792       4.71315289      0.452852964    
 H    1.53303814       5.48104334     -0.122378461    
 H   0.454595029       4.80258512      0.758744895    
 O    3.53084493      0.461183995      -1.63782740    
 H    3.10016060       1.33197415      -1.58290362    
 H    2.86739731     -0.160663947      -1.92470062    
 O    5.03097343       7.23423958       1.39378631    
 H    4.80526400       7.43022346      0.473070294    
 H    4.53109121       6.44878626       1.65178144    
 O    4.54522610       7.89699459      -1.27471435    
 H    5.07481146       8.70411682      -1.31054711    
 H    4.90674210       7.27818966      -1.92170787    
 O    2.68266821       3.03241658      -1.39875805    
 H    2.08779550       3.47695613     -0.782895029    
 H    3.57184362       3.35717010      -1.18765819    
 O    9.05194855       8.54375172       1.67301738    
 H    9.90367889       8.80503559       2.01157475    
 H    9.05920887       8.72709465      0.715850294    
 O    6.57225227       3.70574975      -4.41337776    
 H    6.24711657       2.90866995      -3.95722604    
 H    6.61085701       3.49575257      -5.34266043    
 O    8.69137383       3.67791867      -2.42226458    
 H    8.67767143       4.58936644      -2.09939051    
 H    8.15542221       3.67876005      -3.22341156    
 O    7.29196358       2.27348733     -0.548366666    
 H    7.50231886       2.61174178      0.337203562    
 H    7.89809561       2.70075345      -1.17292154    
 O    3.84045506       4.78003216       1.74800873    
 H    2.93230128       4.69256687       1.43007600    
 H    4.08440971       3.97701836       2.22759414    
 O    1.97441185       6.68931198      -1.25923419    
 H    2.74354959       7.26686192      -1.19174147    
 H    2.08520627       6.21576309      -2.09648991    
 O    8.78393555       8.92152405      -1.00685191    
 H    8.63282967       8.01834679      -1.31883669    
 H    7.95384789       9.39305496      -1.14606726    
 O    5.12204695       4.13257122     -0.656207144    
 H    4.80107594       4.39637756      0.215375006    
 H    5.85596991       3.51650929     -0.545600414    
 O    4.87819242       2.45853543       2.83773589    
 H    4.92763567       1.82349086       2.10098505    
 H    4.83256865       1.94505751       3.63997912    
 O    6.40755939       9.66730022       1.67813408    
 H    7.31191158       9.37278271       1.84279931    
 H    5.85149479       8.88128185       1.77278209    
 O    5.55426645       5.73218441      -2.79786205    
 H    5.36722517       5.18139505      -2.01772761    
 H    5.92309237       5.13992643      -3.46763539    
 O    5.84090853       1.56138802      -2.91364789    
 H    6.39712906       1.65849781      -2.13029981    
 H    5.04988766       1.09915578      -2.61516404    
 O    2.72433233       5.08679295      -3.42637706    
 H    3.65835190       5.32176590      -3.41288376    
 H    2.65378833       4.27043390      -2.91520309    
 O    6.18575335       10.1637859     -0.989814460    
 H    5.99979734       11.0791454      -1.18261707    
 H    6.24102116       10.0853014      -1.99791603E-02
 O    8.05696011       6.25008869      -1.47451806    
 H    7.21781063       6.16983080      -1.94274008    
 H    7.87181902       6.14299822     -0.530080795    
 O    7.58612204       6.16556597       1.29986131    
 H    8.18307400       6.88220310       1.54969907    
 H    6.68884516       6.52368402       1.36047745    
          69
 Energy    -248.09369544502357     
  O     -7.72949866     -2.62689128      6.27529251
  H     -8.44166370     -1.99017720      6.41029077
  H     -4.42239827      0.44769067      1.98010571
  O     -8.85735110     -2.86903476      1.93924704
  H     -6.91091188     -2.20633130      6.56398099
  H     -6.63391512     -1.04798167      3.51345111
  O     -7.68374028     -4.28589799      4.14359774
  H     -9.35660051     -2.19169303      2.41607107
  H     -8.09533453     -0.56815547      3.74816583
  O     -5.51785846      0.32570473      0.48173192
  H     -8.55967942     -3.47933997      2.62504969
  H     -4.67312896     -1.42590712      6.17523548
  O     -6.32473551      0.98649749      6.05498537
  H     -7.74730630     -3.71780281      4.93304601
  H     -4.65234344     -1.68577664      7.70059310
  O     -5.13581861      5.11903526      1.23246538
  H     -7.74969310     -5.18653991      4.44821487
  H     -2.56009377      1.70892139      2.21559180
  O     -9.92064055     -0.79101373      6.46247360
  H     -5.82785693     -0.57426496      0.33152117
  H     -1.10526632      2.02158476      1.79458466
  O     -3.85951428     -1.43016430      4.64291443
  H     -6.30009199      0.81659790      0.77998231
  H     -9.88795644      4.53811680      4.50213046
  O     -4.17638449      2.84788655      0.06806156
  H     -5.91143582      0.27499189      6.55679141
  H     -8.65588107      3.90725610      3.82119973
  O     -9.89341612     -0.93121791      3.64783575
  H     -6.62844484      0.57743283      5.22727563
  H    -10.19703627      2.30194223      3.22772697
  O     -6.67703544     -2.29296980      0.40862015
  H     -5.04260212      5.84256091      0.61829595
  H     -9.53022621      1.55440023      2.07071706
  O     -3.90506922      0.68501675      2.76122336
  H     -4.84402774      4.31757785      0.76225643
  H     -5.88487511     -2.61416069      2.07998784
  O     -7.17281122     -0.27708871      3.72408710
  H     -9.62860553      0.13831326      6.47076459
  H     -6.30883959     -3.31993227      3.39620370
  O     -5.21565012     -1.40418629      6.98504608
  H    -10.62552794     -0.86278041      7.10048888
  H     -9.16087976      2.42532746      5.73071106
  O     -1.97763747      2.40133811      1.85738858
  H     -3.71851771     -0.65641534      4.08385739
  H     -8.02899194      1.59955020      6.38937963
  O     -9.45064936      3.70503848      4.34159479
  H     -4.39416948     -2.02151454      4.09267691
  H     -3.86612806      4.82473904      2.74480197
  O    -10.32811584      1.56775124      2.61637432
  H     -3.34117975      2.71397104      0.53406536
  H     -2.69347005      3.85383647      2.93152221
  O     -5.69381689     -2.67377978      3.02384883
  H     -4.60740208      1.98515602      0.04091018
  H     -4.49182193      3.29212366      4.22435808
  O     -8.98586765      1.74295948      6.38844289
  H    -10.05853902     -0.94495237      4.59770618
  H     -5.41060941      2.25989909      5.04867965
  O     -3.28901814      4.43977044      3.41623774
  H    -10.18551433     -0.07176212      3.30690822
  H     -7.48480418      2.45134337      1.97988057
  O     -5.22346550      2.65950484      4.19060948
  H     -7.51772483     -2.43790309      0.87992217
  H     -7.45583821      0.95835377      2.41866946
  O     -7.65100784      1.55019748      1.67481679
  H     -6.69972725     -2.85760809     -0.35992417
  H     -6.50475249      3.53874207      3.40593368
  O     -7.14021388      4.03588288      2.86435026
  H     -4.42337092      1.34453131      3.24601032
  H     -6.60252012      4.55587180      2.25531784
          69
 Energy    -248.09351510091489     
  O     15.61586215      7.51521135    -15.22497774
  H     14.67891269      7.66513766    -15.42168024
  H     17.89061820     10.06540055    -10.18851124
  O     14.47394170      5.09496950    -11.60678959
  H     16.07195912      8.35173036    -15.38716643
  H     15.88900595      7.87659680    -13.48484756
  O     18.70108102      6.90547912     -9.87907029
  H     13.63883034      4.63104219    -11.74220064
  H     17.08753949      7.80714180    -12.51087860
  O     16.58050989     10.14778310    -15.28170399
  H     14.25116899      5.97868579    -11.27919881
  H     12.96141833     12.12874943    -12.86584400
  O     10.82492316      6.27394144    -13.25152814
  H     18.08946432      6.17420290    -10.07998125
  H     14.20468984     11.21542436    -12.94726734
  O     12.95024309      8.05167749    -15.57067304
  H     19.29963521      6.58474939     -9.20930089
  H     14.01905198      4.15493753    -14.80135426
  O     14.04818204      7.72378542    -10.93216268
  H     16.44195768     10.45588767    -14.37595562
  H     12.72827154      3.77156241    -14.05213585
  O     19.05728258      9.80416390    -13.82208094
  H     15.76642338     10.40145139    -15.74201419
  H     13.52889952      9.80862152    -16.06540648
  O     11.42408732      5.75177130    -16.01408706
  H     11.20985667      7.14038849    -13.06831074
  H     13.65654506     11.03483554    -15.16117310
  O     18.84993601      7.24516838    -12.65581024
  H     10.86678175      6.15774964    -14.20903029
  H     16.19719882      4.86948130    -10.90106251
  O     18.21974992      4.58129478    -13.38523514
  H     12.40547075      7.30730617    -15.85225549
  H     17.56428845      4.60546486    -11.55771455
  O     17.48525717      9.47130217     -9.54682891
  H     12.72239669      8.23594276    -14.64735472
  H     15.23007247      5.08553202    -13.29109852
  O     16.16736891      8.08486736    -12.58253505
  H     14.20287630      8.22863895    -10.12176686
  H     15.64423275      5.81998197    -14.61564433
  O     13.28278157     11.31241856    -13.24086314
  H     14.84359617      7.83680481    -11.47724552
  H     11.52669960      4.83061163    -12.56347000
  O     13.09706600      3.90232058    -14.93513626
  H     18.38428273      9.86906865    -14.50975083
  H     11.34453140      3.47260232    -11.84291377
  O     13.95481026     10.67383950    -16.00467380
  H     19.08080983      8.88032156    -13.53651452
  H     19.10664479     11.96691667    -11.47117492
  O     17.14665238      4.85133854    -10.72344140
  H     12.03591819      5.05632401    -15.71280055
  H     18.77661457     10.75955460    -12.37908072
  O     15.62954924      4.96249087    -14.16577374
  H     10.92361696      5.38632981    -16.73822974
  H     12.53092279      9.59660981    -12.97990609
  O     11.98505100      4.01283793    -12.29729643
  H     18.97862255      7.16989430    -11.70047651
  H     12.87974940      8.32307517    -12.17076026
  O     18.49732446     11.24190922    -11.58031124
  H     18.73698465      6.34723214    -12.99311855
  H     15.78634920      9.38309458     -9.04779782
  O     12.34875946      8.65144767    -12.91110309
  H     17.32056196      4.64482219    -13.75039875
  H     14.76909200      9.49905192     -7.90001500
  O     14.84944228      9.25845265     -8.81872038
  H     18.65864961      3.87738429    -13.85551863
  H     15.96122302      9.87421784    -12.46985154
  O     15.90376315     10.83577068    -12.57862085
  H     17.91869300      8.61465178     -9.64383104
  H     16.70257887     11.19023002    -12.17191572
          69
 Energy    -248.09351423034497     
  O     12.64545921      8.65681514    -10.63368711
  H     13.53337918      8.96242556    -10.38905632
  H     14.83676658      5.98897469    -15.43806803
  O     17.11091850      5.77298801    -12.38864541
  H     12.70146980      8.27108943    -11.52039015
  H     15.31674079      8.25191797    -15.97683000
  O     13.01171024     11.03678203    -12.43717218
  H     17.45557167      5.65427341    -13.28615729
  H     15.83075757      9.62903501    -15.47467845
  O     15.39256895     12.30265452    -12.69632747
  H     16.38199880      5.15450768    -12.25973826
  H     15.58362846      8.52767297    -11.63971572
  O     12.03015797      5.87418752    -16.65418380
  H     12.72886091     10.38593899    -11.78753039
  H     16.18996490      7.34137710    -12.46591695
  O     16.36731562      7.15083388     -8.65219908
  H     12.76720297     10.69052419    -13.30646036
  H     14.81065024      6.39918808     -9.50345854
  O     13.57055896      5.28355322    -14.33462488
  H     15.20762537     13.20938400    -12.92628122
  H     13.46009010      6.85348103    -10.10277070
  O     12.65459420      9.80389780    -14.96242870
  H     14.53080632     11.87224142    -12.55117870
  H     18.53288896      8.19263036    -10.98365287
  O     13.64211644      8.75726314    -18.38060178
  H     12.69724164      5.79079942    -17.34680072
  H     18.04813461      6.73451652    -11.15036931
  O     17.88938476      5.63107437    -15.00270508
  H     12.43792767      5.52740041    -15.85057787
  H     14.43830802      4.92199930    -11.26522330
  O     16.77233847     10.19670653    -13.94846273
  H     17.13214609      7.21111253     -9.25307976
  H     14.65097089      3.41925964    -11.55613784
  O     15.46026248      6.39883377    -16.05507040
  H     16.71363155      7.00706080     -7.77590154
  H     16.47803731     11.82534418    -11.21113129
  O     15.17300955      9.20692213    -16.04022570
  H     13.94226215      4.77362375    -13.60680709
  H     17.71249887     10.93682645    -10.94543644
  O     15.67549798      8.15598934    -12.52854052
  H     13.27086712      6.11696296    -13.93500725
  H     19.68822039     10.02644137    -12.38962466
  O     14.06041340      6.10344712    -10.03438588
  H     12.03249448      9.44960180    -15.61037674
  H     18.21058516      9.92392561    -12.81825056
  O     18.33761712      7.38580249    -10.49436708
  H     13.54010895      9.68193188    -15.33536157
  H     15.84873264     10.08711349    -10.06672201
  O     14.74296877      4.28779274    -11.93957853
  H     14.23581737      9.07882356    -17.68840907
  H     15.65619822      8.68117531     -9.40575569
  O     16.98098878     11.39059338    -10.50948786
  H     12.75473677      8.78479475    -18.00081190
  H     14.01328552      7.06202434    -18.60261447
  O     18.81731450      9.79857725    -12.07164690
  H     18.57005286      5.58497159    -15.66848990
  H     14.34232939      5.79015894    -19.42397940
  O     15.27063641      9.31243057    -10.02561881
  H     17.07932332      5.91069311    -15.45862848
  H     10.26696986      8.46983184    -17.19600364
  O     14.19297382      6.10635696    -18.53762509
  H     16.33764320     10.99317856    -13.61402590
  H     11.41299612      7.51723616    -16.78167948
  O     11.18099769      8.45204099    -16.92522344
  H     16.35340382      9.44562371    -13.49385997
  H     14.01034270      7.84704511    -13.00955386
  O     13.07597027      7.69311559    -13.22471799
  H     15.13132799      6.22041860    -16.94544253
  H     12.81609938      8.39134819    -13.83854328
          69
 Energy    -248.09330157832363     
  O     -4.08788105     -0.40256319      3.59892658
  H     -3.77439461      0.48707760      3.80974149
  H     -6.11062649     -2.56329399      0.51701468
  O     -0.24617501      4.03035228      1.25129805
  H     -3.31285704     -0.87838219      3.26933554
  H     -3.79336133      1.28076103      0.13796231
  O     -1.72754288     -1.36199125      2.50767841
  H      0.01722675      4.94464351      1.18433892
  H     -3.45695803      1.76715162     -1.29976074
  O     -4.39613380     -0.98801594     -2.54104017
  H     -1.20901055      4.03571588      1.36128885
  H     -5.90002912      3.93742505      0.00723218
  O     -2.14377071     -2.39843079     -1.50343062
  H     -1.53062390     -0.98016391      1.63913165
  H     -5.94943259      5.40054046      0.50707828
  O     -5.01159404      0.65366674      1.22217600
  H     -1.22315970     -0.83391600      3.13833026
  H      0.36301220      2.31462570      1.42556738
  O     -6.55155059      2.62144212      2.52723887
  H     -5.08061517     -1.13659542     -1.87404635
  H      0.12376761      0.85185985      0.94837499
  O     -8.42273289      0.69664242     -0.60204898
  H     -3.61704912     -1.47525766     -2.24798625
  H     -5.42598035      2.54425432      5.82108907
  O     -2.86460510      2.13333022      3.89084569
  H     -1.66654300     -3.09760140     -1.94255911
  H     -4.37074323      2.71532283      4.71456338
  O     -4.46965034      1.68262294     -2.85717160
  H     -2.49448828     -2.77576220     -0.67595062
  H     -3.83348753      4.07981831      1.32161984
  O     -6.28590089     -1.09267264     -0.47716301
  H     -5.60155765      1.33289854      1.57427601
  H     -2.92318783      2.96780049      0.77918213
  O     -5.91129306     -3.26769082      1.15680654
  H     -4.67359025      0.17689226      1.99086507
  H     -6.49041940     -2.17609870      2.65869192
  O     -3.09174383      1.66473209     -0.41379285
  H     -6.17900465      2.75360845      3.41070245
  H     -5.86366344     -1.11824620      3.57124110
  O     -5.59203300      4.53991943      0.70920241
  H     -6.31521456      3.39039549      1.99604553
  H      0.24865212      0.65528356      4.68148941
  O      0.55727868      1.38753949      1.62445836
  H     -9.32778129      0.71878307     -0.89959293
  H     -0.00169379      0.95811537      3.18304619
  O     -5.28382889      2.93229497      4.96059183
  H     -8.44872832      0.62310982      0.37103876
  H     -7.85210753      1.32490022      2.33454662
  O     -2.99448862      3.63334093      1.48176583
  H     -1.99287774      1.72889282      3.98105790
  H     -7.84727377     -0.20734979      2.51500056
  O     -6.71338982     -1.46443646      3.26971009
  H     -2.86902054      2.64925168      3.07298964
  H     -2.64077252     -2.77591075      1.58682542
  O     -0.43172089      0.68329604      4.01468026
  H     -4.44757252      0.70848149     -2.82457786
  H     -4.01539821     -3.30483428      1.08172407
  O     -8.31694426      0.51690103      2.07755464
  H     -4.25949941      1.93417179     -3.75208355
  H     -1.33968841     -0.94622796     -0.59653141
  O     -3.07274808     -3.27052977      0.87944300
  H     -5.80868541     -0.50761525      0.13283420
  H     -1.78342386      0.47440943     -0.17640848
  O     -1.13728696     -0.22329604      0.00858112
  H     -7.10863999     -0.62916909     -0.67437045
  H     -7.15555375      2.09486461     -0.98649795
  O     -6.48059497      2.76591538     -1.14270914
  H     -6.44143703     -4.02186978      0.90932328
  H     -5.86123873      2.39470979     -1.78293701
          69
 Energy    -248.09321022160935     
  O     13.78879107     12.99705884    -13.86697370
  H     14.61421172     13.35539735    -14.21409516
  H     18.47237490     10.41095874    -14.92926582
  O     17.03197431      6.50323401    -13.80364654
  H     13.40922352     12.50065959    -14.60195746
  H     15.81622273      9.15686214    -19.64384387
  O     19.58564882     10.23119564    -11.64433509
  H     17.03915905      6.79654142    -14.72109855
  H     14.81241223      9.13280406    -18.46762458
  O     18.38332893     13.20379463    -13.44552899
  H     16.16174942      6.11275206    -13.65353784
  H     15.45746708     10.67558832    -12.38524375
  O     14.36114038      5.60115374    -13.34502642
  H     19.85043317     10.42996024    -12.54989074
  H     16.48983037      9.49619676    -12.46951383
  O     15.96457908     10.88045052     -9.67045241
  H     18.99672703      9.46406325    -11.68920785
  H     14.19119686     11.34645254    -16.36002047
  O     13.88429123      7.22803782    -11.22486617
  H     17.58698887     13.39301627    -13.95497037
  H     13.34103780     10.53578113    -15.35350361
  O     13.22906853      8.87995953    -17.76882291
  H     18.11835843     13.01061371    -12.53798912
  H     17.13283347      8.04538157    -10.98420933
  O     15.94934823      8.18026590     -9.52952286
  H     14.12085879      4.71622517    -13.08314637
  H     17.48264629      7.57312890    -12.44721344
  O     16.65367261      7.83125078    -16.38741001
  H     14.17333798      6.17822320    -12.58329048
  H     11.23926718      9.49803338    -11.93218750
  O     14.05054813      7.05710652    -15.72810665
  H     15.21091553     11.23586489    -10.16213317
  H     12.57284246      9.37296855    -12.71034971
  O     17.58314190     10.11617763    -15.15662954
  H     16.72891083     11.39252376     -9.96183782
  H     19.48022756     11.99718350    -14.02384266
  O     15.74203220      9.30254507    -18.70456903
  H     13.25533849      7.95443629    -11.30466497
  H     20.79984980     11.53763519    -14.69738006
  O     15.94943228     10.10716685    -12.98919987
  H     14.56264650      7.52339108    -10.60511454
  H     18.70679602     12.85965050    -10.11854101
  O     13.28410483     11.19810242    -16.05995837
  H     13.03420609      9.68184396    -17.26698196
  H     18.71365403     11.57933621    -10.98671612
  O     17.63326096      8.26007263    -11.78043934
  H     13.31762409      8.16583888    -17.12396357
  H     15.94044996     10.91324281    -17.66401046
  O     12.18582927      9.46054093    -11.82047335
  H     15.94894737      9.15510543     -9.52639784
  H     16.59904850     11.04810634    -16.28495710
  O     19.99319172     11.21611387    -14.30494539
  H     16.11533615      7.90325507     -8.63246360
  H     13.32699201     10.95002295    -11.50277553
  O     18.16699708     12.33635577    -10.70658850
  H     17.04940419      8.57845977    -15.91341804
  H     13.90129090     12.17286414    -12.27785527
  O     16.00633864     11.50322886    -16.90430632
  H     16.46064706      8.17415965    -17.26792227
  H     16.22802884     14.55342091    -15.72297787
  O     14.04438645     11.59510627    -11.51291250
  H     14.97061697      7.26142812    -15.95535437
  H     16.14396994     13.02441959    -15.90431942
  O     16.20114350     13.72965103    -15.24005245
  H     14.07397263      6.43452122    -14.98991687
  H     13.70258339      8.45897116    -14.66861071
  O     13.58829338      9.25129058    -14.12913652
  H     17.03355362     10.18848812    -14.36100001
  H     14.45235251      9.48227138    -13.75713530
          69
 Energy    -248.09317636646068     
  O     15.12779409      5.67211720     -7.23005572
  H     15.10638712      4.92578101     -6.63738021
  H     17.99763826      5.88825136    -13.26695884
  O     15.84925900     12.04777400     -9.40484492
  H     15.34712776      6.45436402     -6.69163801
  H     16.71590895      7.44521587     -9.18180913
  O     13.12838748      6.59805474     -9.11445711
  H     15.10186118     11.98990045    -10.01153233
  H     16.32038563      6.07604958     -8.58066125
  O     14.70397308      9.12644514    -12.35943499
  H     16.15192166     11.13437766     -9.30524124
  H     18.52000701      9.10878173    -12.95098228
  O     18.53424558      9.41244189    -11.12214259
  H     13.22184013      7.55434467     -9.01228338
  H     18.84618944      7.80390089    -13.69256472
  O     20.44271196     10.99841267     -9.85745364
  H     13.69414148      6.20943847     -8.43568870
  H     17.15141297     12.07469112     -6.11605387
  O     19.31545157      6.83183225    -10.44407758
  H     14.71714115      8.24413697    -11.96696116
  H     18.35374511     12.40687229     -5.19490245
  O     15.49560287     12.16740862     -6.59582081
  H     15.11276799      9.03579003    -13.22787479
  H     15.98472331      8.88362244    -15.70504801
  O     13.66177631     11.19075936    -11.00180001
  H     19.20878915     10.02261309    -10.79581396
  H     16.96117961      8.70608576    -14.51776477
  O     13.76731210      9.94904102     -6.20112288
  H     18.84872855      8.51778310    -10.91935426
  H     17.11606720      9.35750471     -8.35214528
  O     13.81243884      9.35483400     -8.87127826
  H     19.80960800     11.61965641     -9.45468658
  H     17.19844020      9.39505649     -9.92822404
  O     18.95534420      5.95362262    -13.09956285
  H     21.18094089     11.51635361    -10.16618210
  H     17.66558099     12.59814238     -9.07238864
  O     16.83226546      6.49150113     -9.28661649
  H     19.29959848      6.44323176    -11.32840578
  H     18.49758769     12.46369656     -7.77987561
  O     18.56331295      8.71563258    -13.83365107
  H     18.50017506      6.54786194    -10.00382205
  H     15.11980082      8.63550199     -5.88129344
  O     18.11220334     11.95545655     -5.99873031
  H     15.48543435     12.25188082     -7.55856798
  H     16.62297558      8.35121094     -6.12559461
  O     16.03668294      8.58663161    -14.80100881
  H     14.87053659     11.46638883     -6.37584827
  H     15.62501243      6.42814524    -10.70631585
  O     16.59775044      9.32063767     -9.17109836
  H     14.04872963     10.47696507    -11.54421135
  H     14.09554867      6.43883956    -10.68186076
  O     18.56959669     12.58365430     -8.73529082
  H     12.95384410     11.57136639    -11.51351625
  H     20.45470746      9.37151742     -8.81138119
  O     15.77839759      7.93212093     -5.91239851
  H     12.89316396      9.89271966     -5.82301825
  H     20.10760646      7.87775973     -8.98629647
  O     14.85194232      6.50787735    -11.28010515
  H     13.67958452      9.73742040     -7.14629119
  H     18.18654049     10.16078460     -6.48978784
  O     20.25091666      8.56380680     -8.32287043
  H     14.76680122      9.22785777     -8.97490050
  H     18.88674737      8.97896165     -7.25163735
  O     18.05561200      9.27509862     -6.84982739
  H     13.56317951      9.99429146     -9.54988003
  H     15.69913390      6.02693010    -12.85616594
  O     16.28911481      5.97796191    -13.62072284
  H     19.36713953      5.25128186    -13.59600856
  H     16.11024775      6.77308596    -14.13738916
          69
 Energy    -248.09312857416921     
  O     12.66538768     10.24692671    -15.46479035
  H     13.41816107      9.71178633    -15.17538726
  H     14.46757238      5.64921006    -15.56431160
  O     15.59099839      6.99149769    -13.01553542
  H     13.02723835     11.12910865    -15.62124796
  H     20.55627196      6.92663879    -12.49894880
  O     17.35401013     10.96393594    -11.99538194
  H     16.34005799      7.34085050    -12.51495437
  H     19.45202417      7.28821198    -13.50738569
  O     17.81308083     10.27457133    -14.66849904
  H     14.82362892      7.06483279    -12.43284940
  H     16.13378336     10.63594599    -17.19201406
  O     12.61026704      5.98214976    -15.71715416
  H     17.39564511     11.34513066    -11.10619817
  H     17.03283929     11.29220559    -16.13470694
  O     14.73957439     10.38644188     -9.13693699
  H     16.49030831     11.21725815    -12.34913274
  H     15.27755688      8.28698530    -14.19704726
  O     13.56186697      7.50360996    -11.18170196
  H     16.95382227      9.83395041    -14.69622962
  H     15.33673298      8.91567804    -15.64722735
  O     14.85282184     11.38098176    -13.19626711
  H     17.89940274     10.60271849    -13.76345852
  H     10.07739650     10.19294334    -13.51668752
  O     17.27736975      6.55758232    -17.08981176
  H     12.01778792      5.25528599    -15.89370819
  H     11.48279788     10.04472504    -14.14866581
  O     15.68756557      7.68432095     -9.34361333
  H     12.32826393      6.36886423    -14.86971524
  H     11.41508286      7.98469669    -13.36431646
  O     19.02605224      7.77059011    -15.14333843
  H     15.02877613      9.46632635     -9.09656025
  H     12.35750678      7.07632076    -12.55798318
  O     15.41652057      5.57954477    -15.40635363
  H     14.04654395     10.41830242     -9.80692335
  H     18.28192948      7.84286786    -11.69445360
  O     19.62572526      7.12172514    -12.56468570
  H     14.18302856      7.41297185    -10.44841236
  H     17.46657106      9.17585108    -11.56472638
  O     16.33940255     11.48583591    -16.77772875
  H     13.37311871      8.45121906    -11.25358318
  H     17.14098435     12.48931846     -8.72148062
  O     15.14921842      9.09299190    -14.71425594
  H     14.62047769     12.02431427    -13.87538794
  H     16.19890717     11.40396257     -9.27239048
  O     10.95202967      9.84686068    -13.35831838
  H     14.96918281     10.54593621    -13.67585417
  H     16.25786337      8.05522036    -17.45514837
  O     11.84471101      7.12169497    -13.37502950
  H     16.62533810      6.13430517    -16.50139195
  H     14.77378076      8.55052208    -17.60627630
  O     17.45895110      8.23133957    -11.36121715
  H     17.60520095      5.87916399    -17.67402111
  H     12.21256452     10.18579299    -11.96048265
  O     17.03321263     11.87396922     -9.44103136
  H     16.37751601      7.86052628    -10.00684382
  H     13.66098877     10.71918524    -11.98883683
  O     15.68213690      8.82914048    -17.41292597
  H     16.08943132      7.14979010     -8.66385477
  H     14.04178271     13.52451493    -15.98490082
  O     13.02437644     10.23639084    -11.44207717
  H     18.48823337      7.35820671    -15.82773125
  H     14.94795170     12.27635118    -16.09949371
  O     14.16000855     12.63866975    -15.65392738
  H     18.73352824      8.68909200    -15.07488682
  H     12.66764164      8.93992416    -16.94611926
  O     13.01778893      8.19672633    -17.45116609
  H     15.55890903      5.90902043    -14.50843543
  H     12.84106286      7.40908772    -16.91978327
          69
 Energy    -248.09305310043780     
  O     -4.25761384     -2.00493452     -1.69360958
  H     -4.78108641     -2.35842127     -2.40808725
  H     -1.46962047     -3.79651990      2.21575541
  O     -2.14416613     -0.88069167      1.83181543
  H     -4.37141601     -2.60847923     -0.93682139
  H     -3.43815077     -2.84832798      5.32152453
  O     -5.66222643     -2.81043348      2.93720637
  H     -2.06815238     -1.82487901      1.64381246
  H     -2.76982601     -3.82989938      4.34677457
  O      2.31420852     -2.59032502      5.47567280
  H     -3.06529468     -0.68856027      2.04012717
  H     -3.54064623     -0.17636248      5.55125939
  O     -4.47652966     -3.57683463      0.47492868
  H     -4.94056886     -3.07722832      3.53534170
  H     -3.24106164      1.20212057      4.91634905
  O      1.75238899     -2.83384488      1.29677579
  H     -6.47080282     -3.14403918      3.31684812
  H     -2.37203091     -1.82412691     -1.85026032
  O     -2.76681845     -1.57117669      6.55074135
  H      2.23612220     -3.27213781      4.79108420
  H     -1.19672087     -0.91730767     -1.41422646
  O     -4.80348347     -0.18088996      2.49216810
  H      3.08903474     -2.08079071      5.24651291
  H      0.88812099      0.13584226      2.21341672
  O     -0.95705827      0.50139031     -0.26339234
  H     -3.56625637     -3.71096637      0.77766376
  H      0.69774072      0.19846337      0.69312346
  O      0.00429414     -3.75527922     -0.74265714
  H     -4.98936841     -3.38240524      1.26718343
  H     -3.30037771      2.61369836      1.20978036
  O     -0.41026696      0.32514769      3.60198955
  H      1.24449511     -3.12774671      0.53219246
  H     -4.12962174      1.76342490      2.18744640
  O     -1.86106712     -3.61457172      1.35113136
  H      1.66719069     -1.86995569      1.32854264
  H      1.85581070     -3.85457050      2.64184882
  O     -3.62424365     -3.46205601      4.60001749
  H     -2.74913213     -1.67190931      7.49893030
  H      2.35980077     -5.22234957      3.17322888
  O     -3.89753548      0.49662145      4.95937074
  H     -1.84203359     -1.59374735      6.24796178
  H     -4.94103145      0.15820487      0.57874891
  O     -1.41005301     -1.75541571     -1.84713703
  H     -5.21366681     -1.05155825      2.57681063
  H     -4.63653127     -0.41106812     -0.82860395
  O      1.30910539     -0.10183731      1.37757183
  H     -4.54865610      0.07897462      3.39390479
  H     -2.50711383      2.62586408      3.52611781
  O     -3.54422422      2.52580691      2.13967658
  H     -1.39688223      0.02757268      0.46014602
  H     -1.85619853      3.41462840      4.68798088
  O      1.86009727     -4.44869794      3.41713120
  H     -1.51897245      1.25886478     -0.46151176
  H     -0.73526688     -3.13557418      4.42039638
  O     -4.79705666      0.40747565     -0.34101405
  H      0.19966221     -4.41379360     -1.40329482
  H      0.01133978     -4.30934333      3.77441237
  O     -1.97612814      2.53601669      4.33873114
  H     -0.46581767     -3.03311766     -1.19862925
  H     -0.26993717     -0.92723561      4.82945541
  O     -0.87312707     -3.95075081      3.91779515
  H     -1.02734285     -0.11218037      2.99379906
  H      0.62953846     -1.94551053      5.59893754
  O     -0.28437864     -1.66432469      5.45886853
  H     -0.82984028      1.14868430      3.87795305
  H     -3.26448904      3.02043018     -1.33085255
  O     -3.01362112      2.41739999     -0.63663845
  H     -1.18502474     -3.74790746      0.67512312
  H     -3.68773048      1.71254162     -0.61649955
          69
 Ord_Energy   -248.093048    
 O   -6.78067636      -6.51795816       6.47783375    
 H   -5.99391937      -6.02475977       6.73711967    
 H   -7.47561646      -6.23879766       7.08841133    
 O   -1.95748854     -0.984840035       5.09368658    
 H   -2.32797766      -1.53713787       4.38486719    
 H   -1.02807760     -0.883718312       4.90637922    
 O   -6.80914879      -3.23712921       5.39810419    
 H   -6.97710276      -4.00903273       4.83777428    
 H   -7.59645319      -3.09740925       5.93966293    
 O   -6.40242195      -4.07574320       9.29065990    
 H   -5.76640272      -4.24856186       8.58563995    
 H   -7.20570755      -4.55052900       9.04643250    
 O   -6.88980389      -2.14886236       1.34928334    
 H   -6.54174805      -1.75749695       2.16805196    
 H   -7.07614613      -1.42355502      0.757102132    
 O   -8.91512012      -3.71715355       2.64249682    
 H   -8.44807434      -4.46804142       3.03431773    
 H   -8.26973915      -3.24581814       2.10269141    
 O   -8.89990997     -0.945006251       8.52945042    
 H   -8.65799809     -0.155155256       8.02921486    
 H   -8.16332817      -1.10959578       9.13175964    
 O   -4.82876348      -4.39867592       6.94048738    
 H   -5.53233004      -3.97695351       6.42230988    
 H   -4.20015907      -3.68787766       7.14567947    
 O   -3.46369576      -4.94170141       4.48412848    
 H   -3.88067675      -4.92258358       5.35326910    
 H   -3.97959614      -5.53821039       3.92882514    
 O   -5.03126001      -6.25121403       2.46557474    
 H   -4.77749538      -7.00747776       1.94353676    
 H   -4.88860035      -5.46269464       1.91230953    
 O   -4.40160275      0.468572110       5.18948460    
 H   -3.48872781      0.154992074       5.16393328    
 H   -4.69567490      0.354473591       6.10319090    
 O   -8.44840050      -3.22970189E-02   4.51440954    
 H   -7.63347483     -0.399621457       4.15455580    
 H   -9.11847115     -0.722852111       4.43888903    
 O   -3.40169811      -2.12187028       7.32009268    
 H   -2.81389141      -1.77277946       6.64026785    
 H   -4.07096148      -1.44187939       7.46770430    
 O   -5.93677044      -1.25368738       3.76672602    
 H   -6.21099567      -1.93305159       4.40454435    
 H   -5.42208195     -0.574064434       4.22961521    
 O   -8.71465588      -5.32976675       8.19161034    
 H   -8.97131634      -4.53898811       7.68670034    
 H   -9.50642014      -5.66193342       8.60663128    
 O   -6.50894308      -1.47344398       9.99122429    
 H   -6.26337624      -1.37838030       10.9074249    
 H   -6.45221567      -2.42324972       9.78289223    
 O   -7.28202581      -5.56414557       3.95461416    
 H   -7.19662619      -6.03015232       4.80008125    
 H   -6.55115128      -5.85948086       3.39632058    
 O   -3.35787964      -2.50903177       3.27958679    
 H   -3.35058427      -3.37119961       3.73046160    
 H   -4.22388029      -2.11271048       3.43156433    
 O   -7.86362886       1.12143064       6.89447975    
 H   -7.96955776       2.06693530       6.83150196    
 H   -8.10315704      0.753504515       6.02601433    
 O   -10.3088751      -2.18835878       4.36994457    
 H   -9.84875488      -2.76246524       3.73084855    
 H   -11.2142506      -2.12087345       4.07880926    
 O   -4.65280676      -3.90953255       1.14100182    
 H   -4.04107809      -3.40680289       1.69375956    
 H   -5.44341278      -3.36191201       1.06139076    
 O   -9.20946312      -3.02757144       6.80951643    
 H   -9.70789242      -2.75248790       6.03087139    
 H   -9.16207790      -2.28067708       7.42719698    
 O   -5.48042393     -0.157632574       7.72341537    
 H   -5.73841715     -0.583845913       8.55125809    
 H   -6.27460051      0.306418449       7.42566204    
          69
 Energy    -248.09236321471326     
  O     19.17792001      8.72031579    -15.78633337
  H     19.94820993      8.17713580    -15.57507421
  H     22.26682255      7.19610192    -15.23916622
  O     21.39386347      7.55776581    -12.24302950
  H     18.60415617      8.19445702    -16.35631309
  H     18.74895511      3.36187119    -11.75455846
  O     15.82059643      9.40401529    -11.53624050
  H     20.87010748      8.31921680    -11.95435066
  H     19.78670585      3.97174013    -12.72127493
  O     13.76246849      9.94918806    -13.29332142
  H     21.28426391      6.87615567    -11.57184916
  H     14.89425071      7.67175896    -14.65537704
  O     17.03538042      7.31755044    -17.12042487
  H     15.02904014      9.71795759    -11.99750664
  H     16.14776731      8.59600794    -14.57376905
  O     11.52915460      8.11571178    -13.30183657
  H     16.50651650      9.34258084    -12.21623082
  H     18.59418241      5.94350922    -13.18154768
  O     18.28025618      6.57252935     -9.97225643
  H     14.22860773      9.63521672    -14.07688224
  H     18.02070311      6.39444397    -11.79014616
  O     14.46766716      6.96789164    -11.03738658
  H     12.94007156      9.44530296    -13.27053266
  H     14.09521855      6.60776722    -12.76075916
  O     20.84448756      5.53367764    -10.27315244
  H     16.72705129      7.52724594    -17.99899392
  H     12.96579143      6.91358625    -13.75645829
  O     16.01037529      4.98764359     -9.97813586
  H     16.38165980      7.68463843    -16.50300174
  H     16.95262613      9.41923407    -10.13881488
  O     16.85236107      2.95800135    -11.83609160
  H     10.62756424      8.24631113    -13.58252974
  H     17.48940419      9.84219511     -8.75286558
  O     21.37961022      7.14047675    -14.89485761
  H     11.50016098      7.89047704    -12.35507204
  H     20.36309391      5.63096528    -14.55453638
  O     19.66532546      3.65394564    -11.81419949
  H     19.21094596      6.31796990     -9.92608813
  H     19.08997857      4.81933021    -14.96009509
  O     15.39956787      8.34544110    -15.13250597
  H     18.19184940      7.49839605     -9.71728520
  H     19.05971983      9.57398058    -12.31435372
  O     17.86246345      6.39978412    -12.74253965
  H     14.98878992      6.25818116    -10.63336314
  H     19.12163586      9.63539957    -10.78446146
  O     13.83360534      6.49969665    -13.68896389
  H     15.01268155      7.75967682    -11.11834621
  H     15.09712510      5.15534546    -13.85001728
  O     17.68945216      9.30500846     -9.51534178
  H     20.46027960      4.80328369    -10.79263890
  H     16.56617472      5.34560605    -13.40025357
  O     19.73259666      4.96774468    -14.24960230
  H     21.50533769      5.14948834     -9.70366874
  H     17.45573194      5.57881204    -16.47482965
  O     19.67484903      9.62962736    -11.57339819
  H     16.83255295      5.47500190     -9.82407739
  H     16.96511401      4.61462451    -15.37563935
  O     15.94355112      4.69902648    -13.77108893
  H     16.25428437      4.22032453    -10.50797696
  H     11.45370076      7.10904360     -9.84497661
  O     17.66475828      4.74918908    -16.02841337
  H     16.47739118      3.46972115    -12.57214432
  H     12.73374328      7.24324823    -10.68932934
  O     11.78027042      7.43071528    -10.68072664
  H     16.54301108      2.06150287    -11.94281442
  H     17.76521290      8.04631173    -13.25726815
  O     17.68153153      8.96748268    -13.55641509
  H     21.43679473      7.32724616    -13.93875527
  H     18.23065077      9.05021787    -14.35142005
          69
 Energy    -248.09229118313417     
  O     15.08578519      8.96298464    -17.93118082
  H     14.62686520      9.07093795    -18.76000323
  H     15.90964090      3.22469143    -12.70273926
  O     15.64922737      6.71930777    -12.02629942
  H     14.43429622      9.13458407    -17.22715792
  H     20.08668917      9.24563563    -10.87504574
  O     18.51523445     11.15494879    -12.86657233
  H     16.04817706      7.10175366    -12.82473475
  H     19.13763680      9.73738551    -11.99161185
  O     21.06778011      8.28257612    -15.45296007
  H     15.68643288      5.76590032    -12.15796947
  H     18.41123532      8.53532340    -17.09628169
  O     14.43874719      5.26125141    -15.19912598
  H     17.77990430     10.89844271    -13.44516069
  H     19.64647721      7.73256876    -16.66791074
  O     14.05405337     12.06944610    -11.05379909
  H     18.07888332     11.51876407    -12.08194902
  H     17.81816335      7.47930415    -14.09400284
  O     13.25776181      8.07958858    -12.31376917
  H     21.97795890      8.36890072    -15.72192333
  H     16.64160670      7.30997156    -15.10737622
  O     16.40573449     10.34274032    -14.39343010
  H     20.69882604      9.18420365    -15.41149793
  H     13.40595695      9.88538018    -15.17849283
  O     18.50692299      4.51078680    -14.00544902
  H     15.08594041      5.62009693    -15.82123118
  H     12.91291846      8.47971944    -15.57149594
  O     13.98495649      9.56017722     -9.99930958
  H     14.93656427      4.82579900    -14.49809172
  H     17.65628455      8.72516908    -10.63250460
  O     19.50974227      7.05459621    -13.51499977
  H     13.96902262     11.21712446    -10.58853290
  H     16.34669076      7.96783578    -10.87686541
  O     15.97685620      4.11314707    -13.04291568
  H     13.51457001     12.69632998    -10.57934677
  H     11.53675008      6.43808533    -14.92888051
  O     19.39464813      8.95945722    -11.46707469
  H     14.05999014      7.55429985    -12.17728267
  H     13.07549491      6.28236287    -14.88268097
  O     18.80543373      7.65137493    -17.12801278
  H     12.79924131      7.66917785    -13.05693413
  H     19.11558453     10.69261672    -15.97549711
  O     16.88554108      7.67730199    -14.24827116
  H     15.51443609     10.52653978    -14.07419756
  H     19.50579280     10.99847603    -14.50487808
  O     13.29706707      9.28960494    -15.92962685
  H     16.54143736      9.38549547    -14.31586148
  H     15.98751277     11.93271247    -10.85593686
  O     16.72087934      8.72167407    -10.39866214
  H     18.80989012      4.31257550    -14.88941360
  H     16.77788008     10.65609442    -10.54744388
  O     12.34139794      6.89720139    -14.70330358
  H     18.92614073      5.35149062    -13.76587781
  H     17.22274804      6.82547419    -16.97776944
  O     19.85240236     10.68989652    -15.35166247
  H     14.89952271      9.25604415     -9.94214775
  H     15.80320543      7.37712766    -17.23544894
  O     16.88236953     11.60093782    -10.71929703
  H     13.56411321      9.00545325    -10.66958609
  H     13.83917620     11.23392076    -12.73461820
  O     16.28498046      6.67087672    -16.78428971
  H     20.12164902      7.43360370    -14.16109666
  H     13.62769049      9.73256066    -13.03747673
  O     13.81713828     10.58786104    -13.45070367
  H     19.52373605      7.62571882    -12.73601226
  H     17.08440488     10.33399223    -16.04280590
  O     17.47582514     10.16846707    -16.91480510
  H     16.88818373      4.22041150    -13.36597320
  H     16.73132326      9.87607600    -17.45388220
          69
 Energy    -248.09203293387236     
  O     -6.03873234      0.62849479      0.69139355
  H     -6.06315890      0.38840730      1.62642808
  H      1.87564465      2.68113912      2.98682053
  O     -6.03124494      3.21163574     -3.29865684
  H     -5.55459691      1.46646976      0.65266641
  H     -0.29981759      3.85710133      2.14883216
  O     -5.63650327      0.02755701      3.40548626
  H     -6.77053964      3.74877736     -3.56963524
  H     -1.00708931      4.25880364      0.84263130
  O      0.18176194     -1.76017153      0.53205376
  H     -6.41219277      2.43846574     -2.84776586
  H     -3.64507968      2.23899305      0.78458989
  O     -2.03332237     -0.85898244     -0.88303379
  H     -6.20518022     -0.12054684      4.15646337
  H     -4.28830424      3.51917797      1.34811543
  O     -4.64955790     -1.56659151     -0.34141443
  H     -5.00592464      0.72233088      3.66674563
  H      0.49586508      1.66193652     -2.91251924
  O     -2.92807358      0.59348540     -3.00508687
  H      0.72294354     -2.54405724      0.50589221
  H      1.74062879      2.49175305     -2.53014697
  O     -3.63695891      3.09316069     -1.98992964
  H     -0.29766312     -1.77593609      1.38256156
  H     -0.39532582      3.06347021     -1.35145180
  O      1.27007357      0.90158962      0.44755197
  H     -2.86629552     -1.25479695     -0.58702553
  H     -1.91268812      3.44477895     -1.37392577
  O     -0.48728496      1.02242123     -4.22478692
  H     -1.28981821     -1.30750325     -0.46196969
  H     -4.38930216     -0.46722764     -3.18178637
  O     -1.24192619     -1.68441993      2.78406729
  H     -5.11992443     -0.80166338      0.02385082
  H     -5.22887218     -1.53528477     -3.92006615
  O      1.00912308      2.53803036      2.61588016
  H     -4.89822738     -1.60668740     -1.27217777
  H     -1.62408964      1.13244210      2.47269744
  O     -1.00141290      4.41768452      1.79641237
  H     -2.54396614      0.08317826     -2.27362812
  H     -0.44612171      1.54792606      3.36130470
  O     -4.39979746      2.84072812      0.67269858
  H     -3.19436455      1.45765883     -2.66007497
  H     -4.51774180     -1.41038800      2.79937110
  O      0.96571295      2.06976268     -2.16590650
  H     -4.41257235      3.25890325     -2.54520300
  H     -4.23186310     -2.10305155      1.45730950
  O     -1.11049785      3.45098717     -0.83329769
  H     -3.96586939      3.06451465     -1.07964283
  H     -2.08204819      0.56191704      0.22888332
  O     -5.15459867     -1.05980301     -3.09664048
  H      1.18975296      1.21298475     -0.46120060
  H     -1.63932576      2.05070445      0.29492343
  O     -1.27592398      1.05894856      3.37678011
  H      0.93543405     -0.00325397      0.46253528
  H     -2.61682135      4.48395956      2.47119984
  O     -3.95334598     -2.07135228      2.38011561
  H     -1.38468716      0.85523686     -3.89573765
  H     -3.71477018      5.35417002      3.12332824
  O     -2.12106596      1.35993354      0.76937893
  H     -0.53134888      0.93033658     -5.17289789
  H     -6.77285179      0.83911020     -1.05679615
  O     -3.54112935      4.48250749      2.77883255
  H     -2.18139093     -1.90132477      2.69227612
  H     -6.42636379      0.21256766     -2.42025407
  O     -6.89899516      0.94568803     -2.00804935
  H     -1.20495692     -0.79526951      3.15880556
  H     -2.92074086      1.59903430      4.01210958
  O     -3.82656169      1.93086997      4.08408515
  H      1.12976337      1.95832413      1.84253997
  H     -3.80057114      2.82754747      3.73170683
          69
 Energy    -248.09202614149365     
  O     14.39409685      6.00294331    -13.45276196
  H     14.29476121      5.80418878    -14.39369210
  H     18.47742826     11.37084083    -12.63783456
  O     16.31328905      7.24858930     -9.68583124
  H     13.64605729      6.56759750    -13.21116691
  H     15.57677015      7.39352587    -13.50231018
  O     18.81641411      8.32541900    -13.25067915
  H     16.06637226      6.48388612    -10.22706676
  H     15.99627876      8.57441886    -14.41975968
  O     12.25385967      8.76793809     -9.48905138
  H     15.64882920      7.31447234     -8.98858610
  H     14.56890496     11.44278762    -14.45222400
  O     12.33662229      7.76799414    -12.97864081
  H     17.85443869      8.21749563    -13.32288149
  H     13.22808895     12.19686558    -14.58974607
  O     15.88672579      9.53110506    -11.16634639
  H     18.97857672      9.26493738    -13.38708587
  H     14.05979174      4.99330267    -10.18458613
  O     16.81700533      6.43364027    -16.80771485
  H     12.50863189      9.36562256    -10.20325495
  H     13.56182665      5.85175868     -9.00384731
  O     11.13720447      6.47434872    -10.81575448
  H     11.73426138      8.06621832     -9.90103075
  H     12.77803356      8.32740838    -14.73086003
  O     18.38198383      5.90825396    -14.64630767
  H     12.65863928      8.57107981    -12.54469289
  H     13.20757612      9.70665449    -15.22149556
  O     14.07006931      5.98198460    -16.18066368
  H     11.79729354      7.29987843    -12.32880252
  H     18.11418560      7.05855488    -10.35373704
  O     18.24009313      4.46265901    -12.14526373
  H     15.94969280      9.15513308    -12.05822610
  H     18.95315464      7.41850360    -11.61037901
  O     18.79952321     11.16684580    -13.53379983
  H     16.03727416      8.79300414    -10.56053721
  H     16.47638182      4.67306010    -11.51295228
  O     16.08778641      8.21197354    -13.53107012
  H     17.36287036      6.20682425    -16.03413978
  H     15.16390610      5.29391940    -12.04574667
  O     13.60979233     11.37217349    -14.29901087
  H     17.27503192      6.09371733    -17.57207894
  H     13.44835980      7.96972222     -8.48388491
  O     13.26885560      5.23363498     -9.68457648
  H     11.87235182      5.95289564    -10.44547680
  H     13.91495027      7.55754526     -7.06751605
  O     13.15477661      8.78188954    -15.49688663
  H     10.34209810      5.96725913    -10.67717378
  H     17.11614719     11.35815525    -14.45138331
  O     18.87064493      6.78298613    -10.88606707
  H     18.73062722      6.72713502    -14.26942241
  H     16.24975128     10.64312828    -15.51201301
  O     15.61911966      5.01613569    -11.23540603
  H     18.28062933      5.30584834    -13.90069863
  H     13.31513867     10.64728469    -12.58029044
  O     14.08395246      7.41676552     -7.99510872
  H     13.66288667      6.85312993    -16.22935983
  H     14.17523311      9.97738174    -11.48141726
  O     16.26103710     11.38798106    -14.89324280
  H     14.97982874      6.08414775    -16.49162107
  H     17.04226407     10.88084982    -11.04474971
  O     13.26271775     10.11669314    -11.77593489
  H     18.84075681      3.75618895    -11.92231766
  H     17.77457946     11.93759761    -10.19799021
  O     17.72219452     11.57383565    -11.07751458
  H     18.54512981      5.25226648    -11.66171304
  H     16.22148027      8.16847590    -16.53341359
  O     15.84127338      9.00119253    -16.22616209
  H     19.50497669     11.78172458    -13.71910003
  H     14.88673508      8.87246542    -16.12378765
          69
 Energy    -248.09198300134574     
  O     11.50978025      9.63301367    -16.09541410
  H     11.11991604      9.10461330    -15.38825468
  H     16.61501967      6.70507727    -15.21898730
  O     16.17240559      6.99559245    -13.50449718
  H     11.72004809     10.50163970    -15.73138317
  H     19.31365894      9.32658372    -14.12431483
  O     15.30538297     10.14363215    -10.92664093
  H     16.66807995      7.50714812    -12.85032880
  H     19.95897466     10.44232663    -13.26976672
  O     16.93395388     11.01887030    -14.94716075
  H     15.38074138      6.65640350    -13.06335326
  H     15.63647715     12.00434644    -15.93765712
  O     14.21451427      5.82532751    -16.86102256
  H     14.74553337      9.64519214    -10.31371157
  H     14.99543881     11.66367165    -17.29200619
  O     13.52699915      8.53278087     -9.48183415
  H     14.70300859     10.54917156    -11.56063058
  H     14.53060625      8.97377947    -15.48153229
  O     13.82663040      6.29719832    -12.24384725
  H     17.65730799     10.83422822    -14.33866208
  H     15.30534864      8.39449787    -14.24997869
  O     13.40445946     10.74399713    -12.95883230
  H     16.21681372     10.40076659    -14.73146327
  H      9.66562610      7.38103768    -14.20638538
  O     17.44903664      9.30130400    -17.09196260
  H     15.14069451      6.03824490    -16.65049979
  H     11.16684869      7.05604315    -14.39456664
  O     14.70416777      5.87428692     -9.61984409
  H     14.23287076      5.09637094    -17.47572597
  H     17.38289340      7.48850880    -10.28202236
  O     19.42673144      8.19205291    -15.48721312
  H     12.87499940      8.51177814    -10.19534616
  H     17.75349153      7.23194140     -8.81485172
  O     16.72017169      6.64504351    -16.18125710
  H     13.86515751      7.63317416     -9.40959781
  H     13.02975730      5.79133853    -15.36928501
  O     19.13614664      9.98795760    -13.43328393
  H     13.27979935      7.08940774    -12.13491885
  H     12.93827900      5.84197481    -13.82228766
  O     14.86871364     12.18973346    -16.49390889
  H     14.09128283      6.02213791    -11.35728857
  H     18.05853954      9.13857205    -12.16804493
  O     14.90715526      9.19187619    -14.62065683
  H     13.00351631     11.38289027    -13.55735674
  H     16.69196075      9.23012225    -11.39969894
  O     10.53730581      7.76635830    -14.17209456
  H     13.92880852     10.15925406    -13.52997356
  H     14.97170443     10.31369299    -19.51958790
  O     17.24439206      6.87773875     -9.54026409
  H     17.32341910      9.94270069    -16.37699401
  H     14.69132378      9.64707012    -18.15050360
  O     12.41243817      5.86702469    -14.63338528
  H     16.84738701      9.58374722    -17.78958119
  H     11.45435867      8.27771120    -12.61548911
  O     17.41699355      8.63415969    -11.65676407
  H     15.62456857      6.18553105     -9.57348832
  H     12.51213934      9.34041114    -12.24485429
  O     15.27755271     10.26963346    -18.61766471
  H     14.62251043      5.16127169     -8.99197383
  H     12.05103748     13.04291788    -15.31449014
  O     12.12068753      8.50310391    -11.95564437
  H     18.91128385      8.61050876    -16.19367311
  H     13.31123791     12.22383422    -15.66988871
  O     12.46269391     12.19131954    -15.19348217
  H     19.11304336      7.28707899    -15.46747664
  H     12.89239432      8.89987747    -16.83960899
  O     13.76067386      8.58495743    -17.13961817
  H     16.91137912      7.53577526    -16.50127572
  H     13.77618479      7.62160825    -17.12392318
          69
 Energy    -248.09190907869436     
  O      3.21063048      4.05224303      3.76215999
  H      3.08117103      3.33619300      3.12689396
  H      0.85120984      4.98998452     -1.95581914
  O     -0.73053091      8.90241312      5.20626946
  H      3.33260421      4.84756954      3.23090298
  H      0.99514569      8.73025090     -4.57510689
  O      0.52071317      9.82375937      2.86068979
  H     -0.95186184      9.35835887      6.01387612
  H      1.03405685      7.44531434     -3.73152162
  O     -2.38114630      7.23582546      3.57158497
  H      0.08644586      8.40045013      5.38131447
  H     -0.54629866     10.05028682      0.03621500
  O      3.17256672      4.45601884     -0.03644908
  H      0.02882958      9.68638360      3.67808569
  H     -1.83659493      9.67287956      0.80721745
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  H     -0.09876803     10.11694713      2.17471617
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  H     -1.89058882      7.81793721      4.16525242
  H      3.69253631      7.30357538     -1.37882679
  O     -0.52095699      5.09315122      3.38721247
  H     -1.90884587      6.39363971      3.57501160
  H      1.99678851      4.38533827      4.96107154
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  H      3.17236437      3.62012090      0.44503887
  H      1.27937093      4.08100787      6.29922639
  O      0.16516040      3.23126968      1.33691026
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  H      0.71562815      8.97257270     -2.02602590
  O     -0.79242761      6.97256094     -0.19676317
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  H      1.56318154      8.95642419     -0.71312867
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  H      1.49147303      6.53933330      5.61811293
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  H      2.37498774      6.57928653      2.05683517
  H      2.39202387      7.70044934      5.12417989
  O     -1.13257897     10.33034886      0.75283262
  H      3.35740560      5.64577114      1.27754678
  H      2.28916149     10.16235566      2.49477906
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  H     -0.05256054      5.84346891      2.98891858
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  H      2.50821953      6.03941031     -2.99668817
  H      0.71033234      8.07614452      2.38756022
  O      1.55602140      7.50054473      5.56082378
  H      2.06530055      5.15871636     -4.19087882
  H      1.72337276      2.53012842      1.57282660
  O      3.23318212     10.11439315      2.28321123
  H      0.13422228      3.69750684      0.49285562
  H      2.66959040      1.30261455      1.55555628
  O      0.76733389      7.15984637      2.08586010
  H     -0.17567432      3.83189440      2.01251276
  H      3.30449451      9.24799583      0.68016887
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  H     -1.63377906      7.28638110      0.15747497
  H      3.26359780      7.73386061      0.61250055
  O      3.21866418      8.51543462      0.05087921
  H     -0.33086674      7.73443212     -0.58044685
  H     -2.80825460      7.82421251      1.99197104
  O     -2.97638893      8.12504612      1.08094510
  H      0.03175081      5.52722163     -0.76476136
  H     -3.92232908      8.13012633      0.96334090
          69
 Energy    -248.09169367726946     
  O     -5.81537681      4.45866800     -0.66601348
  H     -6.58451085      3.87867406     -0.64805245
  H     -4.33027860      0.62170471      5.55372624
  O     -5.30344683      4.91633260      2.09677553
  H     -5.64254560      4.70009895      0.25254083
  H      0.41503732      0.52090851      1.34416274
  O     -4.34116027     -1.17158675      2.53254045
  H     -5.69313278      5.60261722      2.63309794
  H     -0.98957095     -0.07784257      1.58891809
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  H     -5.57986049      4.06665417      2.48206128
  H     -1.36815039      1.89071951      0.66827889
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  H     -5.22089187     -1.41670234      2.21732212
  H     -2.89240334      1.96739574      0.42885448
  O     -6.74619419     -1.69212749      1.18282006
  H     -4.43250297     -0.62844671      3.32656790
  H      1.08939489     -1.93932071      0.59018083
  O     -5.40567635     -1.58110150     -1.16657476
  H     -2.41469400     -0.72067257     -1.82304787
  H     -0.31597730     -2.45438074      0.95169977
  O     -1.82694927      0.99460475     -2.28626191
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  O     -1.94906552     -1.56622336      1.23916068
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  O     -0.22038970     -2.98855492     -2.05374375
  H     -4.90365100      1.86090704     -1.96820567
  H     -8.47523856      2.35799046     -1.50520855
  O     -5.92179152      2.42054845      2.98279731
  H     -6.28977417     -1.70698287      0.32192193
  H     -7.04302137      1.87031584     -1.18706241
  O     -4.35587738      0.72547178      4.60664043
  H     -7.31368828     -2.45842621      1.20550120
  H     -2.23311237      2.74361314      3.38202456
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  H     -1.41290038      1.45026352      3.20973526
  O     -2.04303525      2.33322992      0.13286098
  H     -4.46582647     -1.76460248     -1.29072420
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  H     -4.90094089      1.71435873      1.58042829
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  H     -2.22760821     -1.57707560      0.31277850
  H     -3.06655563      3.23223668     -1.41206617
  O     -7.79200660      0.94891844      1.68440857
  H      0.05418975     -3.81001655     -2.45133071
  H     -4.45026024      3.83261755     -1.68704355
  O     -4.38667870      1.17603529      0.96621639
  H      0.08791731     -3.00286986     -1.12945923
  H     -2.31452267      3.78573631      1.46415668
  O     -3.74206440      3.30715016     -2.09450393
  H     -6.67175777      1.91413714      2.63111976
  H     -3.43375488      4.54198448      2.20782122
  O     -2.54024016      4.19248667      2.30825798
  H     -5.47454918      1.88221729      3.64701483
  H     -0.07908209      0.23603664     -2.33769009
  O      0.71784755     -0.27892245     -2.16132605
  H     -3.50572532      1.12699616      4.34239927
  H      0.46551353     -1.20299892     -2.28229912
          69
 Energy    -248.09166091580227     
  O     -3.84951267     -1.72631882     -0.67015006
  H     -4.39527253     -0.97612436     -0.40573307
  H      2.07305922     -1.21504042      2.82476187
  O     -2.14691687     -0.36830355      2.27539007
  H     -4.17826051     -2.47948449     -0.16381168
  H     -3.17639431     -2.84269916      5.99253119
  O     -5.24964523     -2.62014845      3.39941913
  H     -1.49337983     -0.15545904      2.95309692
  H     -2.63759833     -3.93338818      5.05641320
  O      2.37778071     -2.34597464      4.19862438
  H     -1.87185554      0.08085629      1.46423565
  H     -4.12506324      0.43171802      4.81579478
  O     -4.65052165     -3.80885301      1.07698200
  H     -5.17634103     -1.66055835      3.37583277
  H     -2.96894399      1.28260336      5.38526267
  O      0.25980452     -2.74204889      0.67145540
  H     -4.66756142     -2.93343080      4.10829812
  H     -2.18416608     -1.68035075     -1.19735512
  O     -2.46836193     -1.43034261      7.06679004
  H      1.68174302     -2.22442993      4.85643926
  H     -1.23398089     -1.67394409     -2.41629664
  O     -4.72293027      0.19357681      2.98305602
  H      2.17023847     -3.16872234      3.73760533
  H      2.17074327      2.09185494      0.50877789
  O     -1.19121171      0.84098948     -0.03904653
  H     -5.13047008     -4.62533193      0.97401850
  H      1.65767375      0.75130113      1.06619355
  O     -0.10359376      0.28401774      4.03404050
  H     -4.96022764     -3.40110392      1.90782615
  H     -2.90756897      2.88992119      3.41392455
  O     -2.10479650     -3.09232867      1.97716621
  H     -0.56291578     -2.92974631      1.15143623
  H     -4.15842075      2.12833209      2.96319287
  O      1.65930530     -0.72114291      2.10170990
  H     -0.03928371     -2.39553113     -0.17667398
  H      1.13340528     -3.95353384      1.78243579
  O     -3.44870214     -3.49378465      5.33459366
  H     -2.74007458     -1.33081153      7.97531064
  H      1.94998636     -5.21674900      2.12245405
  O     -3.56809216      0.55433705      5.59265778
  H     -2.88982518     -0.70865262      6.56655456
  H     -4.80889341      1.17268653      0.13480850
  O     -1.25102840     -1.59216229     -1.46613331
  H     -3.79690779     -0.00997541      2.76677471
  H     -6.26217845      0.72913042     -0.16364501
  O      1.42527388      1.49778726      0.49076375
  H     -5.17013090      0.26948281      2.13025880
  H     -0.98977776      1.75443945      4.50496620
  O     -3.64942436      2.93010636      2.79886687
  H     -1.14409632      0.07698448     -0.62646595
  H     -1.10613767      3.10455252      5.24791430
  O      1.45650559     -4.50066548      2.51576641
  H     -0.28890869      1.16493347      0.09339809
  H     -1.40709216     -3.81567826      3.41820051
  O     -5.45653229      0.45495034      0.26618832
  H      0.54363073      0.07748334      3.34769160
  H     -0.08893264     -4.52102457      3.75365688
  O     -1.61056078      2.45581887      4.76337816
  H     -0.10037908     -0.46013379      4.65361669
  H     -0.38393342     -2.74931301      5.14507491
  O     -0.89812505     -4.18912294      4.15627150
  H     -2.93800513     -3.44358876      1.64440640
  H     -0.82203990     -1.77332280      6.25852388
  O     -0.10749240     -1.96214508      5.63693932
  H     -2.21524265     -2.13614498      2.09126513
  H     -2.69491046      1.93218976     -0.06442479
  O     -3.55545096      2.34620473      0.08137741
  H      1.17536851     -1.36570493      1.56852409
  H     -3.53166006      2.71212429      0.97794652
          69
 Energy    -248.09159735700399     
  O     15.56805580     12.55071260    -15.24335484
  H     15.06212263     13.35700694    -15.17718256
  H     16.16212491      4.02236577    -15.68316775
  O     15.63742220      6.22038688    -13.52745040
  H     15.42394200     12.06500956    -14.41515331
  H     19.70688791      5.71620707    -13.98618807
  O     19.27172748      8.41800390    -12.06109797
  H     16.28194167      6.16431680    -12.80938443
  H     18.61549318      5.21944459    -13.01623944
  O     17.78024542      5.89467097    -17.71584152
  H     15.06693592      6.98342613    -13.36720036
  H     17.40774750     10.35505047    -17.67975324
  O     14.86917737      6.01022058    -17.71996935
  H     19.88806248      8.05103245    -12.70514757
  H     18.57858502     10.54930165    -18.66834377
  O     15.52103227     10.83423191    -10.14780462
  H     18.81346076      9.12991496    -12.53565067
  H     16.72097075      7.28496389    -14.58976004
  O     14.06956179      8.57795889    -13.44183903
  H     17.88941976      5.09576691    -17.18314046
  H     17.77903139      7.81086395    -15.62995973
  O     17.92650070     10.18623468    -13.62552594
  H     16.82974190      6.01526191    -17.82125759
  H     15.82585616      6.36874115     -8.66964107
  O     18.00909115      3.69414300    -15.92937337
  H     14.33648580      5.57971706    -18.38330668
  H     15.41352653      7.28482199     -9.84735194
  O     14.21828693      8.31873491    -10.60348101
  H     14.93540427      5.39190778    -16.96889243
  H     20.25722240      7.54765598    -15.16420850
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  H     16.35022406     10.33796219    -10.02351033
  H     21.62255383      7.32219440    -14.48243551
  O     15.27826028      4.39998907    -15.59346210
  H     15.45031350     11.43822446     -9.41359499
  H     17.21019885      6.24277171    -10.83410624
  O     19.09662496      4.98783974    -13.82054294
  H     14.50152762      9.43086306    -13.29366504
  H     18.22006530      6.95082038    -11.77728158
  O     18.37341482     10.27146321    -17.77877434
  H     13.97171586      8.49906109    -14.39979788
  H     18.37008771      9.01730653    -10.45002253
  O     17.03867329      8.06254943    -15.06661674
  H     18.24683121     10.87265640    -14.22670863
  H     17.28379357      8.39418138     -9.54852367
  O     16.16759241      6.83042083     -9.43029727
  H     17.60552780      9.44643084    -14.16598005
  H     15.17681286      9.89958956    -17.08924895
  O     20.68173218      7.31131400    -14.32212110
  H     18.42742649      2.84171440    -16.01374866
  H     15.57886934     11.33554851    -16.69848124
  O     17.68625152      6.15005127    -11.66850571
  H     18.40943864      4.12636612    -15.15376082
  H     16.33938355     10.72765467    -13.12111979
  O     17.69431010      9.23253829     -9.79638715
  H     14.51607470      9.21506900    -10.40180736
  H     15.37070163     11.09923342    -11.97688278
  O     15.71696842     10.65154709    -17.36514349
  H     13.98913440      8.32085103    -11.54072837
  H     18.51733083     11.54866222    -16.33454214
  O     15.42997851     11.01365188    -12.93597526
  H     19.08233669      8.69590762    -17.06690265
  H     17.51669751     12.39570332    -15.51956370
  O     18.43023746     12.08346078    -15.53530286
  H     18.87771893      7.14666863    -17.15669454
  H     15.44542513      8.35394743    -15.84230525
  O     14.55392363      8.37697404    -16.22669166
  H     15.31311630      4.96594187    -14.80878500
  H     14.50742468      7.60152003    -16.79978781
          69
 Energy    -248.09151503012055     
  O     13.80911472      9.48620544    -16.85613311
  H     13.25961418     10.27190744    -16.68189766
  H     17.18761067     10.15824786    -10.17508150
  O     11.66257179      7.42825984    -10.87377638
  H     14.16114265      9.59019354    -17.73614193
  H     15.90758522      8.08322921    -13.12995276
  O     14.72208685      8.73883447    -14.31675153
  H     12.60431455      7.40567096    -10.64938232
  H     17.05132172      7.11896297    -12.74535544
  O     12.12532175     11.55723362    -16.31890380
  H     11.33166010      8.27354230    -10.55085322
  H     12.37988208     15.55981785    -11.68872538
  O     12.15278863      8.35835178    -13.41289463
  H     14.56034663      8.92208511    -15.25128033
  H     12.28912545     14.14491390    -11.07259663
  O     14.65913574      8.16716975     -7.71542148
  H     13.85149178      8.55395370    -13.92874448
  H     14.66517223      7.74579651     -9.52412814
  O     13.82042015     10.38682859    -10.94913482
  H     11.23260288     11.20004930    -16.23719858
  H     15.21843247      7.58771409    -10.99288756
  O     12.65492055     10.03252129     -7.83069860
  H     12.25597072     12.10865172    -15.53631563
  H     17.28044017     11.69768409    -11.85453174
  O     15.28449768     13.99702226    -10.59536750
  H     11.68841554      9.20227576    -13.33509982
  H     17.89177084     12.89328381    -12.62755956
  O     11.14227306     10.31518966    -10.39936017
  H     11.95882000      7.87056787    -12.60147662
  H     11.22650443     11.46441315    -13.31935896
  O     12.46217750     12.72702711    -13.78435817
  H     14.61112896      7.63599746     -6.92505325
  H     10.13492019     10.56742317    -13.95403360
  O     17.47763226     10.18235198    -11.09933458
  H     13.89300126      8.76765140     -7.69729868
  H     14.17056895     11.46441523     -9.59083908
  O     16.47447206      7.79415704    -12.39562237
  H     14.17471070     10.71995759    -11.78142622
  H     14.72561499     12.87298515     -9.30740745
  O     12.70677591     14.66818857    -11.77979481
  H     14.09692462      9.46872750    -10.83400947
  H     15.63233194     11.75099965    -13.14006666
  O     14.42462119      7.70997382    -10.45961393
  H     11.94893781     10.06569889     -8.48426677
  H     14.91604816     10.49358163    -13.77576331
  O     17.06557941     12.52092096    -12.33242877
  H     13.16949859     10.84121568     -7.95733027
  H     10.18887791      9.36001662    -15.92735795
  O     10.63277168     10.72020632    -13.14138733
  H     14.52394874     14.28509347    -11.11383029
  H      8.83394539     10.05858608    -16.19323897
  O     14.30387751     12.11318977     -8.87820998
  H     15.89888290     13.57539469    -11.20819673
  H     15.86167861     10.98643856     -8.48318263
  O     14.77999990     11.35962859    -13.37175202
  H     12.09294746     10.34173266    -10.60327219
  H     15.98215990      9.49515103     -8.14360123
  O      9.67219021     10.16680573    -15.75249357
  H     10.70811419     10.43001414    -11.25547182
  H     11.33178315     12.23012086     -9.96282622
  O     16.46885036     10.23785180     -8.51937491
  H     12.48871321     13.48601798    -13.19036452
  H     12.56588433     12.87498712     -9.31799152
  O     11.74631999     13.08176430     -9.78447120
  H     13.31034299     12.26919858    -13.67512219
  H     12.19381689      8.39916909    -16.49634950
  O     11.38670853      8.07293129    -16.08213385
  H     17.20531907      9.35369997    -11.50561891
  H     11.60990874      7.96647784    -15.14574520
          69
 Ord_Energy   -248.091476    
 O   -7.11808014      0.375297427       1.61671042    
 H   -6.48018169     -0.351220340       1.59079003    
 H   -7.93343258       2.49449797E-02   1.23963380    
 O   -12.4237556      -3.18507934       3.79066133    
 H   -11.9186907      -3.91208911       3.39245963    
 H   -13.3458853      -3.42107034       3.71610975    
 O   -7.67929029      -2.46298575       3.65938306    
 H   -7.51541138      -3.06700802       4.39438772    
 H   -8.19320583      -1.71780717       3.99808264    
 O   -9.71655464      -5.59145594       5.37813520    
 H   -10.0703230      -5.34457445       4.51412725    
 H   -9.26894569      -6.43830061       5.23747206    
 O   -4.93818521      -4.27795124      0.615749300    
 H   -4.61415911      -4.49782419     -0.254153401    
 H   -5.71739244      -4.83519030      0.773186982    
 O   -3.66622829      -1.92334223       4.02471256    
 H   -4.26994038      -1.81979668       3.26940680    
 H   -2.87526584      -1.43184328       3.81325269    
 O   -3.73700666      -4.73092842       3.23208332    
 H   -3.96174836      -4.58034134       2.30606079    
 H   -3.63757277      -3.85568094       3.62491322    
 O   -6.86852407      -2.29696774       7.65822315    
 H   -6.42080212      -2.26631618       8.49934673    
 H   -6.37729073      -1.71000147       7.05510378    
 O   -11.0719709     -0.878617048       2.74541068    
 H   -11.5975647      -1.60392225       3.09945178    
 H   -10.4734716     -0.602133572       3.45577598    
 O   -9.52274132     -0.853130698      0.553946853    
 H   -10.1327801     -0.823428452       1.31542051    
 H   -9.98260784     -0.456587434     -0.180925295    
 O   -7.32297611      -4.24308062       5.72302532    
 H   -7.19564867      -3.67743111       6.49410963    
 H   -8.20181561      -4.64680386       5.76182747    
 O   -8.87979317      -3.43206286       1.45421791    
 H   -9.11215591      -2.64150548      0.954717696    
 H   -8.48901653      -3.10974026       2.28358293    
 O   -7.22452402      -5.63377237       1.39032114    
 H   -6.88484001      -5.72396374       2.29636073    
 H   -7.79727650      -4.85225439       1.34961164    
 O   -11.1467419      -3.37633610       6.39959288    
 H   -10.7121544      -4.22405195       6.24271011    
 H   -11.6542549      -3.20125628       5.59913731    
 O   -5.52988529     -0.752511561       5.87004900    
 H   -4.85717583      -1.17382812       5.32209206    
 H   -5.93736267      -6.85883388E-02   5.32541370    
 O   -8.26044464      -7.75107765       4.44192505    
 H   -7.41390133      -7.30435514       4.30441427    
 H   -8.65898323      -7.82302761       3.56703305    
 O   -9.49736786      -1.26686954       7.13044405    
 H   -10.0995340      -2.01134968       6.97822189    
 H   -8.66234112      -1.63672280       7.43739796    
 O   -5.53477287      -1.89358783       2.01975632    
 H   -6.27299690      -2.11656070       2.61047077    
 H   -5.36890793      -2.65543079       1.45211816    
 O   -10.6975536      -5.07843208       2.73479176    
 H   -10.1423635      -4.44775152       2.25222731    
 H   -10.4427900      -5.95131826       2.41383219    
 O   -6.13485765      -5.92783260       3.90652204    
 H   -5.22425699      -5.64063406       3.75384951    
 H   -6.48719978      -5.35646057       4.60431433    
 O   -9.34787273      -7.39800167       1.76062548    
 H   -9.45498466      -8.06091499       1.08275843    
 H   -8.56923962      -6.87148237       1.51621640    
 O   -9.14621830     -0.313025594       4.63252401    
 H   -8.44168186      0.343048096       4.60321808    
 H   -9.29848862     -0.565152407       5.55742025    
 O   -6.82401037       1.21359110       4.19672871    
 H   -6.69437647       2.15779591       4.23363590    
 H   -6.92010593      0.980502903       3.25626779    
          69
 Energy    -248.09146191632033     
  O     10.11538184     10.61300238    -10.57968501
  H     10.96060401     10.76887535    -10.12088679
  H     13.35756647     14.00510723    -15.75294870
  O     14.61321282     10.68374964    -12.75346476
  H      9.44128438     10.56543265     -9.90756591
  H     17.71826539     11.62137212    -17.62456745
  O     16.85638353     13.39811048    -14.64262590
  H     15.54471766     10.93048163    -12.67927640
  H     16.40933748     11.39882735    -16.83195628
  O     15.80513006      7.18836057    -11.75254183
  H     14.38256625     10.07672849    -12.03634615
  H     13.64548380     14.26926519     -9.87627263
  O     10.59649194     11.72879701    -13.09954044
  H     17.15748808     12.87181807    -15.39333215
  H     13.60195837     13.33343795    -11.10488400
  O     11.82782095     14.36571319    -16.75106863
  H     15.94203766     13.63776786    -14.84028749
  H     17.70185460     10.25305305    -13.82172593
  O     14.63926978     11.32563094    -16.68543821
  H     16.66319716      6.97055174    -11.39468101
  H     17.74103369     10.22971785    -15.36184361
  O     13.06805052     12.89853309    -12.73695752
  H     15.92619594      7.24045274    -12.71150844
  H     15.67850450     12.81392410    -10.08838502
  O     14.06202602      9.22666264    -14.97677880
  H     10.87006394     10.94558269    -13.60093578
  H     16.68956008     12.06114636     -9.21462510
  O     12.56188451     10.96211225     -9.46008426
  H     10.31333933     11.41907394    -12.23031455
  H     10.89930856      9.70933811    -15.44455998
  O     10.21772169     10.45674021    -17.01333926
  H     11.10442935     13.91216183    -16.28125227
  H     12.25944283      9.33349650    -14.79626565
  O     14.07216875     13.63435547    -15.22021128
  H     11.47425958     15.19177600    -17.06945370
  H     16.60283443      6.79892737    -15.10856345
  O     17.37437259     11.48296048    -16.74593040
  H     14.42856971     10.54442321    -16.15484717
  H     16.82261251      8.23243631    -14.55968769
  O     13.91842521     13.40991589    -10.18877102
  H     14.44485984     12.10570932    -16.14411738
  H     12.13885493     12.77629279    -17.80532350
  O     17.77150021      9.66071029    -14.58330093
  H     12.15581298     12.59710832    -12.84334886
  H     13.13406001     11.60444555    -17.76267956
  O     16.58044021     12.46254551    -10.07417288
  H     13.62483678     12.10194773    -12.75404590
  H     11.25420015      8.62308476    -12.91030725
  O     11.32388456      9.49079726    -14.60579076
  H     14.25071791      9.77214343    -14.19520233
  H     10.79304434      9.03603956    -11.49957119
  O     16.22347554      7.46248121    -14.53882949
  H     14.68901265      8.49604856    -14.94112528
  H     17.14174200     12.31043379    -13.24099514
  O     12.26873196     11.86739455    -18.10326477
  H     13.08992439     10.23264525     -9.81583524
  H     17.13838340     11.91811784    -11.72096145
  O     11.33691736      8.39656041    -11.97535849
  H     13.05602822     11.77281377     -9.62198537
  H      9.83376702     12.08951798    -16.05167150
  O     17.21676503     11.56953164    -12.61875300
  H      9.67485599     10.06469828    -17.69198242
  H     10.02517754     12.62359367    -14.62270730
  O      9.89345619     12.90458931    -15.53817596
  H     10.95658654     10.90176487    -17.46573502
  H     12.96546067      8.58686017    -11.24729414
  O     13.80505853      8.87708122    -10.85620753
  H     13.70631706     13.47045691    -14.33968694
  H     14.47522531      8.21224044    -11.06375017
          69
 Energy    -248.09143404214868     
  O     17.15387447      9.87181615    -11.39549586
  H     17.76750183     10.45508410    -10.93230126
  H     17.73514251      4.76497498    -11.91404028
  O     13.35345358      6.45300221     -7.81862665
  H     16.59304055      9.47319059    -10.71053288
  H     14.70821175      6.10582985    -10.87809614
  O     11.40681430      8.10895283     -9.14621510
  H     13.92754310      6.15788476     -8.53859518
  H     16.02783818      5.86091415    -10.08493655
  O     15.29772706      9.01830067    -13.26499925
  H     12.66207021      6.98486244     -8.22814757
  H     20.04047982      6.55906509    -14.57672542
  O     19.03001203      7.89549982    -11.86616961
  H     10.48723259      8.04537666     -8.90164400
  H     19.20686035      7.05215345    -13.36952408
  O     20.34038520      8.68130080     -9.61627929
  H     11.45828530      7.90852337    -10.09834690
  H     16.38496288     11.53677981     -7.72615207
  O     17.84743217      5.85213498    -10.31826738
  H     15.97816646      9.39147507    -12.68767304
  H     17.19682854     10.31466980     -7.23975670
  O     11.72804465      7.78768935    -11.81198621
  H     15.74650522      8.53331174    -13.97372756
  H     16.09865023      6.47420089    -14.94238882
  O     14.62858263     12.01086778     -8.00584217
  H     19.65286944      8.10898838    -11.15548741
  H     17.48332704      7.12253339    -14.84341733
  O     12.99932286     10.27742250    -12.46248846
  H     18.34462649      8.57587592    -11.82964439
  H     15.30527177      7.80042252     -9.68520206
  O     13.17049073     10.24165307     -9.62792806
  H     19.93224780      8.11979187     -8.94551868
  H     14.69174488      9.22983343     -9.51543944
  O     17.66376458      4.50273737    -12.83966449
  H     19.93077305      9.55282051     -9.53805681
  H     18.37373840     11.25168167     -8.91812970
  O     15.08178822      6.03515041     -9.98853177
  H     18.19787788      6.54640135    -10.89359327
  H     19.42705427     12.03565343     -9.73598261
  O     19.17316954      6.51770069    -14.18313273
  H     18.22130827      6.03308148     -9.44707814
  H     14.27082224      6.98060575     -6.40732284
  O     17.28516125     11.20778494     -7.59576831
  H     12.44757180      7.20043568    -12.08170527
  H     14.49866124      6.90326255     -4.88801256
  O     16.55434506      7.32186615    -15.01336785
  H     11.98545937      8.66089141    -12.13184700
  H     14.55443748      7.37980227    -12.74553431
  O     15.51802410      8.73216502     -9.54061721
  H     14.07026713     11.44897460     -8.56286266
  H     14.44484706      5.88436670    -13.15463987
  O     18.95745434     11.20695326     -9.69766957
  H     14.03733240     12.42322405     -7.37963104
  H     19.29143496      6.43306222     -7.12789867
  O     14.83618876      7.30323750     -5.68424572
  H     13.81042536      9.87032909    -12.81188491
  H     18.19243789      7.43118050     -7.55834402
  O     14.12106723      6.54318427    -12.52734881
  H     12.76946881     10.98314656    -13.06176475
  H     16.38592449      8.61062322     -7.96851373
  O     18.91477050      6.86911354     -7.88803814
  H     12.51483106      9.58393435     -9.36007360
  H     16.19036578      8.09263400     -6.51828162
  O     16.84441200      8.46526765     -7.12731570
  H     13.09469012     10.34901958    -10.58517134
  H     15.17058080      3.98761309    -14.74452571
  O     15.38534917      4.79086140    -14.27890807
  H     18.27158860      5.07448080    -13.32728083
  H     16.17734156      4.60450629    -13.74258445
          69
 Energy    -248.09135143378762     
  O     19.18808548      8.85719221     -7.91460692
  H     19.42504993      8.45913487     -8.76672131
  H     19.05326341      7.47367953     -6.85004204
  O     19.03527192      5.29463485    -10.36922053
  H     18.44963677      9.45281747     -8.10415927
  H     16.46658357      9.51748563     -8.88826726
  O     19.31673059      6.37388792    -14.08237447
  H     19.26782781      6.23795952    -10.40592930
  H     17.26959521     10.38982105     -9.87095760
  O     19.19588103      9.28428403    -14.21490434
  H     18.40910417      5.16756523    -11.09585311
  H     20.80778805      9.76643286     -8.20954026
  O     22.94352974      7.50111482     -8.81745902
  H     18.52195777      6.04570646    -13.64146616
  H     22.17061411      9.27885499     -8.71646701
  O     17.18319246      5.51504045    -12.41399540
  H     19.22181266      7.33026319    -14.14532660
  H     18.45598880      9.86617343    -12.66125855
  O     21.51592277      9.94951712    -13.01706947
  H     19.14079804      9.60468549    -15.11163422
  H     18.94091464     10.62262696    -11.39874876
  O     20.97449135      5.67817828     -8.24697291
  H     20.08752155      9.50716059    -13.88818472
  H     20.65631798      5.67486539    -13.08820111
  O     14.77671522      4.40531789     -9.27275796
  H     22.27068255      6.83422874     -8.59569817
  H     20.65425975      5.02635295    -11.70096632
  O     22.23856602      7.74435106    -11.52699890
  H     23.75968457      7.20728104     -8.42059569
  H     13.97679950      5.81083737    -12.11801471
  O     19.63976471      7.94994386    -10.50142511
  H     16.86755316      6.40334236    -12.19213126
  H     14.45943898      7.27359647    -12.06337962
  O     18.99400350      6.60831122     -6.40649075
  H     16.41525487      4.93246878    -12.37680749
  H     16.19855149      7.11105227     -8.69558414
  O     17.06653385     10.27720270     -8.93807699
  H     21.30418184     10.56706526    -12.30749945
  H     14.73923801      7.57836909     -8.96176408
  O     21.60224281     10.05685880     -8.67799260
  H     21.91271328      9.17939721    -12.58345977
  H     16.02656055      7.96637576    -10.74601001
  O     18.22068653     10.07458084    -11.74404344
  H     20.37813982      5.89246561     -7.51879684
  H     16.76541832      8.79986511    -11.81719938
  O     21.24384798      5.36108911    -12.38154761
  H     20.41397536      5.32658012     -8.94773222
  H     20.60147414     12.35202681    -10.58591939
  O     13.67942178      6.71499247    -11.95295438
  H     15.58922125      4.69403793     -8.83778946
  H     20.92572097     10.94483745    -10.04184086
  O     15.66129317      7.86413452     -8.97781988
  H     14.13433481      5.11276912     -9.13565455
  H     17.78609051      5.41556802     -9.01296088
  O     16.20385274      8.02803342    -11.69686565
  H     22.02639441      6.86170668    -11.87084040
  H     17.69588903      5.84395877     -7.53024897
  O     20.49393135     11.42238048    -10.77140658
  H     22.64860331      7.63813059    -10.66092776
  H     13.19904408      6.76905401    -10.26195617
  O     17.16282046      5.60479021     -8.29822139
  H     19.11254625      8.60088359    -10.97633953
  H     12.20349854      6.95423215     -9.08930769
  O     13.11144658      6.74721487     -9.29176040
  H     20.53004694      7.96095349    -10.87875831
  H     14.48527558      3.22634598    -12.22958946
  O     14.81591899      4.08282168    -11.97305648
  H     19.01079421      6.77374428     -5.46777066
  H     14.81550064      4.10742987    -10.99920232
          69
 Energy    -248.09134574013677     
  O     15.69302122      9.66401960    -10.32714271
  H     15.67322781     10.42546114    -10.91891249
  H     15.62064064      3.94227954    -11.65043008
  O     13.16443031     11.29554632    -15.88631670
  H     16.54818514      9.63987560     -9.87711359
  H     12.81411810      8.45228042    -10.05863708
  O     17.55520617     10.40327834    -13.73048097
  H     12.26399062     11.45311224    -16.16174442
  H     14.20837507      8.92697120     -9.60310456
  O     12.42174062      6.04540592    -12.51409898
  H     13.10532347     10.93417702    -14.98939605
  H     18.76941016      6.20710842    -16.07168982
  O     17.32016545      6.66079631     -8.73207029
  H     18.16690334     10.09759550    -13.04404689
  H     17.70419546      7.23377517    -15.62582287
  O     15.85419242      7.42441257    -12.01409152
  H     16.85003119     10.87602677    -13.27831585
  H     12.64377160      9.68804591    -12.72591452
  O     15.33133371     11.59932663    -12.32018727
  H     13.09797805      5.66837091    -11.93495768
  H     13.74240365      9.39432675    -13.77201768
  O     18.47873035      6.75611746    -12.63909232
  H     12.70259977      5.84216013    -13.41374781
  H     15.67480918     11.25779041    -17.86846137
  O     19.17207725      9.32736401    -11.76466346
  H     16.40092346      6.44321798     -8.54817562
  H     14.61798823     10.77433257    -16.86705673
  O     16.00115081      4.57064349    -14.64292649
  H     17.66159951      5.97532572     -9.32517921
  H     10.76693918      8.49060735    -11.46189820
  O     13.56667229      5.59853059    -15.09498414
  H     15.81918596      8.19449263    -11.43252108
  H     11.93749178      7.61890720    -11.97004153
  O     16.26630659      3.35459204    -12.08055654
  H     15.42270437      7.65951955    -12.84572640
  H     14.12491319      5.91563051     -7.48538888
  O     13.44019093      8.40512251     -9.32822869
  H     14.55720478     11.13594704    -12.68035363
  H     14.07801797      6.95093230     -8.63535856
  O     18.08883769      6.36386106    -15.42179179
  H     15.15056698     12.53343312    -12.38968348
  H     15.08893113      5.98418383    -11.32557054
  O     13.24234150     10.11376497    -13.35101018
  H     17.56573285      6.98380750    -12.40203619
  H     14.52668418      5.37407837    -10.01760850
  O     15.39936511     10.49286813    -17.36805425
  H     18.47877135      6.59207158    -13.58818471
  H     17.68892219      4.22097289    -11.05461526
  O     11.70540323      8.50328789    -11.63239602
  H     19.10004986      8.40876870    -12.05959261
  H     18.52864948      5.47374682    -11.30586913
  O     14.49819239      6.12333947     -8.33726792
  H     18.92005616      9.32097419    -10.83459551
  H     15.42082214      8.29347775    -14.97440423
  O     14.61411003      5.21683253    -10.96559713
  H     16.21387028      4.13749908    -13.80734589
  H     14.25103677      7.26438041    -14.76334878
  O     18.27104295      4.84850787    -10.61338390
  H     16.75722446      5.11602498    -14.89063106
  H     17.88467961      8.26429907     -8.93501334
  O     14.64952908      8.07850752    -14.43283419
  H     13.20662238      5.22889750    -15.89612982
  H     18.61515858      9.48146886     -8.31904025
  O     18.13253122      9.19534779     -9.08921886
  H     14.42737439      5.16468617    -14.94519601
  H     16.47056916      9.35622167    -16.45531597
  O     16.92874379      8.80545998    -15.80638312
  H     15.99819298      2.46060226    -11.88268699
  H     17.22657647      9.38932745    -15.08722121
          69
 Energy    -248.09120790527930     
  O     17.23490525      8.34066871    -14.70692308
  H     16.86677736      8.03877272    -15.54851456
  H     18.28054083      9.79454917    -15.38051609
  O     16.87114608     11.30753664     -9.67019827
  H     16.56532314      8.90560965    -14.28302698
  H     12.54753082     13.82015905    -13.85606589
  O     15.86796825     12.55123058    -14.09175599
  H     17.18911245     11.71400452    -10.49768092
  H     12.89050261     12.44705766    -13.23090296
  O     13.98422866      6.54116161    -15.25008596
  H     16.90654459     11.98180613     -8.99771046
  H     15.53306604     10.79146551    -13.77675951
  O     17.02959330      6.44505835     -9.15290865
  H     16.19307914     12.60852805    -14.99949584
  H     15.23169007      9.90422838    -12.53927556
  O     15.87985235      6.25707591    -13.26935514
  H     14.95340363     12.86334117    -14.07482583
  H     13.16237356      7.11904366    -11.39856995
  O     14.70607480      9.94628407    -10.81132063
  H     13.44706948      7.29014943    -14.96753335
  H     11.89253153      6.35186099    -11.80345939
  O     17.00461357     12.36858538    -16.64101663
  H     14.54977869      6.87771597    -15.95676098
  H     18.43031164      8.27706129    -13.31506895
  O     18.20285822      5.70686834    -11.68625772
  H     17.45937438      7.30795063     -9.30258631
  H     18.89219702      7.31308730    -12.20587903
  O     15.14034738     10.27921223    -17.25670345
  H     17.25064417      6.17414403     -8.26654124
  H     17.13346172     12.44767699    -12.73711191
  O     15.89019138      7.72195262    -17.04592128
  H     16.44969559      6.90850416    -13.69452482
  H     18.51403335     11.82719823    -12.38141067
  O     18.74907850     10.62316994    -15.53808783
  H     15.13810959      6.15511047    -13.88317427
  H     19.72875161      9.82956584    -12.75008372
  O     13.13425614     13.07302344    -13.93645484
  H     14.79187148      8.99223652    -10.67987806
  H     20.87914357     10.85851941    -12.69815155
  O     15.38672735      9.87930906    -13.49316871
  H     15.40840226     10.38860017    -10.31874773
  H     18.41189559      8.71590870    -10.75566796
  O     12.33483845      7.19239667    -11.89812927
  H     17.69865928     11.77668464    -16.29746468
  H     17.77363551      9.67856077     -9.72156193
  O     18.96922989      8.22818836    -12.51403485
  H     17.42283417     12.95591022    -17.26454657
  H     12.62653927     10.21851753    -15.34916824
  O     17.74704023     12.27814649    -12.01023759
  H     17.41744128      5.63381948    -12.24377765
  H     12.86434173     11.74034137    -15.34239927
  O     19.97370709     10.74265573    -12.97598834
  H     17.87036341      5.78245858    -10.78360191
  H     15.51965904      6.84303139    -10.15556625
  O     18.15279051      8.79844394     -9.82950796
  H     14.29638211     10.54333683    -16.86162606
  H     15.23829136      6.85076622    -11.67975361
  O     12.82210178     10.97156411    -15.92201732
  H     15.74191933     11.02232679    -17.14491578
  H     12.32550110     10.38634130    -12.71840686
  O     14.89608762      7.15094949    -10.82406839
  H     16.10889983      7.37674538    -17.90687711
  H     13.19747337     10.80599937    -11.53369435
  O     12.52071314     11.13325084    -12.14180285
  H     15.59295209      8.64250362    -17.17501394
  H     13.70901826      9.19088380    -13.86350699
  O     12.79859049      8.88668360    -14.00219074
  H     19.27517280     10.77420291    -14.74379952
  H     12.57327042      8.28016295    -13.27961072
          69
 Energy    -248.09117594702133     
  O     12.34347388     10.31232878    -15.03234981
  H     13.00134233     10.98941987    -15.21837405
  H     20.57431819      7.37323235    -15.10110993
  O     16.21982091      6.02672972    -13.25571668
  H     12.63305035      9.53698954    -15.53405686
  H     15.69878420     11.88094681    -16.02952298
  O     17.68259426     10.26271390    -11.97625994
  H     15.52951779      6.05995801    -12.58000323
  H     14.47473709     11.33582384    -16.75972290
  O     17.54857390     11.75303374    -16.32990048
  H     17.00396875      6.45207698    -12.88231429
  H     15.80988111      7.50306996    -14.22503844
  O     13.02135791      5.55742019    -15.91006692
  H     17.34342086     10.22157865    -11.07516296
  H     16.51036163      8.14279657    -15.43432480
  O     14.20910735      6.47094430    -11.40614502
  H     16.91808645     10.48693934    -12.52979188
  H     10.67392700      9.42846499    -12.48317262
  O     15.41126322     10.58425434    -13.48177534
  H     18.08027725     11.31832048    -15.64022591
  H     11.81072458      9.64544845    -13.50914362
  O     16.92758455      9.49029103    -17.98393642
  H     18.07138062     12.48349152    -16.65170332
  H     17.94725427      7.20971778    -10.49927613
  O     15.41768285      5.54338774     -9.13876694
  H     12.43762294      4.84307286    -16.15025158
  H     17.11380631      8.08780798     -9.54462953
  O     17.75593860      7.30768957    -16.56459381
  H     12.76531089      5.83599439    -15.01147808
  H     11.96502220      7.34708459    -13.26875052
  O     15.94190438      5.28479568    -15.97228913
  H     14.53129909      6.10025009    -10.57184544
  H     12.94445939      6.30617982    -12.71931101
  O     19.75398635      7.74783936    -14.79127275
  H     14.22250950      7.43304382    -11.32803275
  H     18.73333125     10.52132252    -13.53048650
  O     14.73980206     11.78142034    -15.94449920
  H     15.58068196      9.74341643    -13.94073380
  H     19.37553493      9.60468072    -14.59239571
  O     15.79930204      8.28216853    -14.79747621
  H     15.11606103     11.18338002    -14.17418018
  H     18.95228460      7.51439940    -13.10713759
  O     11.56842567      9.17285579    -12.69294482
  H     17.22030889     10.25845627    -17.47756956
  H     18.13025050      8.47480168    -12.22319098
  O     17.52450688      7.21849243     -9.63161063
  H     16.01498310      9.68172896    -18.22863185
  H     15.35455243      9.59936884    -10.15287841
  O     12.33957514      6.47937450    -13.45421759
  H     15.67807459      4.76384305     -8.65604866
  H     15.89077395     10.22640685     -8.84780619
  O     19.03773110     10.49639891    -14.44627625
  H     16.22556739      6.07268349     -9.25413444
  H     13.88957716      9.40490322    -17.70100604
  O     18.37819574      7.54592438    -12.33190160
  H     17.13418407      6.56487532    -16.54328615
  H     13.53312984     10.23937786    -18.95455024
  O     16.15839258      9.74705672     -9.62828321
  H     17.47914808      7.96278022    -17.22277231
  H     14.51389209      9.80493232    -12.11635807
  O     14.16497709     10.16376672    -18.24442786
  H     16.10332173      5.34219538    -15.01943987
  H     13.13819165      9.28183908    -11.67577379
  O     14.06417872      9.32452665    -11.40530489
  H     14.98305356      5.30696118    -16.06172174
  H     13.27206674      7.30048788    -16.41866315
  O     13.56741900      8.21793660    -16.44629952
  H     19.07874824      7.53758255    -15.46065598
  H     14.34679012      8.26303042    -15.87200633
          69
 Energy    -248.09109187779265     
  O     11.61236758      9.37585568    -13.52016621
  H     11.72975304      8.51234576    -13.09675393
  H     16.57252195      4.34224492    -14.09137595
  O     16.49833741      5.41296508    -12.68130358
  H     11.58837953      9.20900902    -14.46935970
  H     19.70127539      6.46351022    -15.00823325
  O     18.00543211      9.61903558    -11.99973099
  H     17.31845988      5.85467390    -12.41586665
  H     21.17542586      6.72887739    -14.61882593
  O     16.69272731      9.17826884    -15.96892828
  H     15.80875283      5.67671687    -12.05687973
  H     15.12413397     10.21119284    -15.95373906
  O     13.18228295      6.56554010    -15.23076357
  H     17.03984658      9.60799661    -12.01548785
  H     14.13586561     10.86368856    -14.94856191
  O     15.73120907      9.58582997     -9.18303168
  H     18.26709291      9.86582759    -11.10359464
  H     15.91728826      6.82055147    -13.73126341
  O     14.61054213      6.61754186    -11.00502591
  H     16.27096832      8.60141257    -15.31277601
  H     14.63862218      7.27914227    -14.48904246
  O     15.19372355      9.28469605    -11.99958822
  H     17.55494040      9.41979773    -15.60102734
  H     18.58462926      8.06928729     -9.17374888
  O     16.89835882      7.13300618    -17.77905151
  H     12.76030146      7.28861390    -15.71285774
  H     18.63419769      6.90094530    -10.17632756
  O     15.82566084      6.81321400     -8.49542370
  H     13.69512317      6.03753282    -15.86082310
  H     12.90768290      6.58950386    -11.99753178
  O     18.59759350      5.64806268    -16.04640124
  H     15.44248906      9.55332128    -10.10315738
  H     12.48920366      6.54842541    -13.48468058
  O     16.66482992      3.87907460    -14.94099140
  H     15.63087946      8.68778844     -8.84105329
  H     18.76899749      9.72604471    -13.72275067
  O     20.27654899      6.94499883    -14.38632744
  H     14.92938762      6.57994575    -10.09373751
  H     19.55514014      8.73328000    -14.59736818
  O     14.22390070     10.54764860    -15.85514192
  H     14.70540378      7.53737427    -11.28308049
  H     18.45790835      7.84463293    -12.05083788
  O     15.47277729      7.58880579    -14.10785447
  H     14.62757133     10.01684978    -12.27989448
  H     19.35766674      6.83376712    -12.79227798
  O     18.41352495      7.12337649     -9.26252142
  H     15.28353547      8.70475566    -12.77283918
  H     18.72603592     10.69190975     -8.66392322
  O     12.19586758      6.82031939    -12.60329147
  H     16.82141835      7.92204386    -17.21661095
  H     17.45114523      9.94782521     -9.13591512
  O     19.05699591      9.55863383    -14.63004231
  H     17.03195602      7.44309201    -18.67106211
  H     15.57462685      5.86040586    -17.22891169
  O     18.73002733      6.91565263    -12.06286301
  H     16.76912716      6.83946733     -8.73694351
  H     15.50008267      4.68915424    -16.22979483
  O     18.41785338     10.00256784     -9.24556394
  H     15.76265074      6.34566052     -7.66717101
  H     12.78977555     10.56903599    -13.20427893
  O     14.96440400      5.23566789    -16.81801083
  H     18.00939396      4.96274737    -15.70728574
  H     13.17687814     12.02548873    -12.83814214
  O     13.54115422     11.18325497    -13.09542850
  H     18.08765811      6.14011485    -16.70141589
  H     11.62549408      9.18121764    -17.10077848
  O     12.10923513      8.91014637    -16.32563525
  H     16.66186306      2.94516919    -14.74651175
  H     12.86818412      9.51478102    -16.23942157
          69
 Energy    -248.09088995660477     
  O     11.20547044      9.09570714    -13.65428721
  H     11.54256011      9.05196300    -14.56059005
  H     14.86611587     12.02221877    -14.73726521
  O     16.32671701      6.61074367    -14.92812040
  H     11.57279528      9.90179425    -13.27494246
  H     13.97547201      8.87752644    -14.96420398
  O     17.03982889      9.33437204    -11.28445471
  H     15.91110692      6.05695203    -14.25310220
  H     15.26453903      8.06389197    -14.66000084
  O     16.44161607     11.09182919    -14.38741115
  H     17.06875083      7.04675447    -14.49063983
  H     10.37748766      6.37052739    -12.35061860
  O     12.78297743      6.24694495    -16.96715462
  H     16.07735847      9.36441068    -11.36972131
  H     11.22126503      7.53085853    -12.93040401
  O     15.02997028      6.35790243     -8.71022518
  H     17.34388573     10.24829309    -11.37237728
  H     18.62093226      4.73743081    -11.72320780
  O     15.27868756      5.25510612    -12.75011895
  H     17.21611602     10.77781607    -14.86899705
  H     17.87537364      5.94890749    -11.10805560
  O     14.29398852      9.39083858    -11.79914300
  H     15.82729690     10.34192711    -14.38151500
  H     12.32991399      5.70644725    -13.82240689
  O     16.26615440      9.51396735    -17.54944831
  H     12.23925823      5.65094431    -17.47537275
  H     13.74135327      5.09666052    -13.91196837
  O     18.48668435      9.58667591    -15.57878392
  H     12.86524874      5.85925184    -16.07713007
  H     17.53548933     12.87429482    -11.89147844
  O     15.51821456      6.86636828    -17.57339904
  H     14.46321689      6.41523676     -7.94527268
  H     17.14701293     11.72862717    -12.84298758
  O     13.93162238     12.18063872    -14.92868580
  H     14.45227380      6.47011705     -9.48131235
  H     17.84485327      8.45320908    -12.68589807
  O     14.76298196      8.84858972    -14.40804319
  H     16.17975409      5.19292733    -12.40890049
  H     18.37095269      7.02984416    -12.94467658
  O     11.27035614      6.63067203    -12.56018298
  H     14.77377762      5.78090960    -12.11441024
  H     16.69759399      6.77182701     -9.32526201
  O     18.01836740      5.44568579    -11.93222558
  H     14.44812713      9.11144249    -12.71717990
  H     17.39269625      7.87126291    -10.17445833
  O     12.95443050      5.29422915    -14.43265674
  H     13.70911813     10.15313220    -11.86719846
  H     14.79207866     10.42225224    -17.50063904
  O     17.58117785     11.92790903    -11.99744931
  H     17.03250262      9.52043647    -16.96977920
  H     13.80871864     11.27384113    -18.33506648
  O     18.25711791      7.89389955    -13.36100990
  H     16.02107978      8.58168612    -17.66150478
  H     13.85825793      7.74916724    -11.22678033
  O     17.50922801      6.98509607     -9.80659052
  H     19.39203378      9.69995753    -15.85911872
  H     12.76919346      6.67995517    -11.46932728
  O     13.92125029     10.86027618    -17.48351907
  H     18.50979302      8.98448345    -14.81788808
  H     12.12591634     12.21684918    -12.32446527
  O     13.63263634      6.82161385    -11.06232066
  H     15.89679471      6.65754797    -16.70692151
  H     13.00731143     11.73038326    -13.49462217
  O     12.55042364     11.44264411    -12.68464763
  H     14.59016850      6.61571427    -17.50655681
  H     12.90264504      9.54052218    -16.69242875
  O     12.51453633      8.89012904    -16.09284192
  H     13.80413393     11.82876430    -15.81759560
  H     12.56841545      8.01819453    -16.50613141
          69
 Energy    -248.09076380478029     
  O     -4.07639580     -0.82670123      2.65042959
  H     -3.87861754     -0.59103849      3.56372894
  H     -2.61100990      2.39058851     -1.07307999
  O     -0.61818417      2.29030196      2.25423248
  H     -4.18328091      0.00278664      2.15799305
  H     -6.14170839      3.69664466      2.24195519
  O     -2.05877242     -1.80693285      1.01315106
  H     -1.07459636      2.38558624      1.41056835
  H     -6.44118376      3.56682148      0.72563554
  O     -3.61271953      1.85098795     -2.45010938
  H     -0.98586684      2.97905602      2.82356811
  H      0.83054536      1.11372584      1.60450092
  O     -2.23749413     -0.57756048     -3.08335394
  H     -1.27059489     -1.99430137      1.53688111
  H      0.69774734      0.23038259      0.35630334
  O     -4.30478369      1.40973574      1.08234003
  H     -2.74577889     -1.51140184      1.62781450
  H     -3.46350438      3.16918489      4.37230209
  O     -6.74024307      3.07000661      3.85766461
  H     -4.46642840      1.52015194     -2.14268442
  H     -3.88977344      1.77300385      4.90037103
  O     -7.67775679      2.62826035     -0.32043775
  H     -3.14900947      1.07742983     -2.79678502
  H     -1.77545047      5.06088331      4.04446406
  O     -3.27452448      0.04951860      5.21259291
  H     -2.02749977     -1.02041913     -3.90075876
  H     -2.45826455      4.49403624      2.77504480
  O     -5.87163416      0.74835066     -1.13133707
  H     -2.73528246     -1.21343990     -2.53624539
  H     -5.78292864     -1.36805230      2.12207670
  O     -6.29492077     -2.01026942     -0.90789139
  H     -3.48092883      1.69039854      0.66484974
  H     -7.11498354     -0.62245137      1.87234402
  O     -2.04896389      2.37151370     -0.28126311
  H     -4.79128144      2.21185479      1.31018237
  H     -0.78206006      0.86389633      3.44507283
  O     -5.75937345      3.81795578      1.36181140
  H     -5.84452987      2.89733950      4.20148233
  H     -0.43351113     -0.62473175      3.65084741
  O      1.21956172      0.34868148      1.16329881
  H     -7.23094446      3.48227696      4.56321831
  H      0.78935112     -1.12973630      2.01618009
  O     -4.21950423      2.65032097      4.66989603
  H     -8.30626380      2.89013579     -0.98777248
  H      1.06376399     -2.51447819      2.65065473
  O     -2.07914884      4.25237841      3.63988953
  H     -7.10125940      1.95656671     -0.72380250
  H     -7.92684289      1.56565061      1.31810460
  O     -6.63951052     -1.44432970      1.68301520
  H     -3.24835576     -0.40674943      6.04891594
  H     -7.49629685      1.65223439      2.79007723
  O     -0.85955902      0.13128760      4.07032857
  H     -2.36206696      0.06836296      4.86803794
  H     -3.05026371     -2.25520203     -0.53359724
  O      0.37336064     -1.88053160      2.47734180
  H     -6.07425181     -0.19328692     -1.18701250
  H     -4.44937622     -2.23818497     -1.20556321
  O     -7.82568645      1.04124134      2.12026024
  H     -5.33210673      0.86558927     -0.33436728
  H     -1.25443836     -0.63501415     -0.13484232
  O     -3.50220915     -2.25131624     -1.38732133
  H     -6.94520645     -2.64114130     -1.20299193
  H     -1.12495636     -0.21196374     -1.62177270
  O     -0.79031301     -0.03193649     -0.73488918
  H     -6.45301586     -1.86695462      0.04443565
  H     -4.05784628      4.50974823      1.16793039
  O     -3.10498402      4.68061168      1.17231068
  H     -1.50000893      1.58242367     -0.40133257
  H     -2.71402522      4.07212409      0.53607921
          69
 Energy    -248.09072691524742     
  O     15.49092077     10.09714282    -14.71731122
  H     14.68763752      9.65574706    -14.97988642
  H     18.64551240     10.63644504     -7.81623616
  O     18.54446724     15.24779663    -16.28924614
  H     15.78451421      9.66823905    -13.89336720
  H     20.76648878     16.33592081    -10.95095831
  O     19.46684909     13.13208728    -10.20233534
  H     19.33783574     14.94837461    -16.75046301
  H     20.40743053     17.74780478    -11.47572681
  O     20.47513395      9.61891965    -10.22478530
  H     18.78090346     15.33213415    -15.35615985
  H     20.95629336     12.33679968    -10.99137673
  O     16.47957988     11.06940427    -10.59340031
  H     18.78578186     13.24285062    -10.87780625
  H     22.48712682     12.50849374    -11.06434265
  O     20.45660949     11.52023277    -16.75899559
  H     19.15692728     12.45035039     -9.59163547
  H     17.26214379      8.67119339    -12.39218005
  O     21.73277709     14.39099462    -14.79438185
  H     21.07593987     10.28126296    -10.58986535
  H     16.30592766      9.67608501    -11.72412622
  O     21.18554324     15.24297240     -9.66903986
  H     20.06550741      9.17572776    -10.97879545
  H     21.30307667     14.18297521    -18.30958972
  O     21.62365906     11.71723684    -14.08577267
  H     17.13329481     10.97721420     -9.88880194
  H     20.72698743     13.16613201    -17.29339268
  O     15.56719390     12.91967244    -14.03656125
  H     16.73846368     11.84944563    -11.09356962
  H     22.31261861     16.22941419    -12.43096300
  O     17.68879845     11.13956045    -16.10870247
  H     19.53445162     11.26652130    -16.62417858
  H     22.76305140     15.24379749    -13.51942586
  O     18.63271352     10.91242299     -8.72830405
  H     20.91579405     11.37186672    -15.92369871
  H     19.67161805     15.77185124    -12.93664105
  O     20.58674622     16.85435939    -11.75598409
  H     21.57987375     14.40802097    -15.74645896
  H     18.74825595     14.52505165    -13.12635443
  O     21.76674483     11.91316452    -11.30806549
  H     20.89162174     14.62031607    -14.37013405
  H     23.47044197     14.57247255    -11.42092122
  O     16.35753405      9.00057600    -12.41758650
  H     20.53269698     14.53088726     -9.73562246
  H     24.48079975     14.03630211    -10.37852147
  O     20.88350746     14.11361282    -17.45654925
  H     22.04240899     14.83033008     -9.82956227
  H     19.62859326      8.07929502    -13.20479618
  O     23.05518010     15.67890512    -12.70664333
  H     21.79256854     11.68197592    -13.13346360
  H     19.10307980      9.51047647    -12.95086257
  O     19.33875838     15.13480266    -13.58328470
  H     21.76452652     12.63941557    -14.34533686
  H     18.52909890     11.17064976    -14.50864703
  O     23.57458197     13.96569749    -10.66575471
  H     15.77374421     13.27280396    -14.91115587
  H     19.91939197     11.37744723    -13.81975884
  O     19.19615231      8.62750402    -12.55376242
  H     15.42486061     11.97502096    -14.17391094
  H     15.91607654     13.92178277    -17.38192236
  O     18.99458375     11.13873324    -13.66184758
  H     16.94714649     10.64207465    -15.73667680
  H     17.17631460     14.25192425    -16.54754681
  O     16.45214173     13.61008472    -16.65802365
  H     17.31824395     11.99168931    -16.37692186
  H     18.17840384     12.40637346    -12.73279077
  O     17.68434538     13.14740339    -12.34615338
  H     19.29062290     10.37017646     -9.20032824
  H     16.86368584     13.21133795    -12.85817884
          69
 Ord_Energy   -248.090439    
 O   -4.67863750       5.50563240       4.84020424    
 H   -5.01565838       6.00016451       4.08572197    
 H   -3.73889470       5.34234619       4.65511370    
 O   -2.00398755      0.911860526       2.74045038    
 H   -2.53914332      0.619044721       3.48843575    
 H   -2.42832565       1.73757637       2.46134567    
 O   -5.49288273      0.302261502       2.40819478    
 H   -6.22501612      0.864622891       2.69110084    
 H   -4.92271948      0.203469828       3.17849183    
 O   -3.12059641       6.64605474      0.875236154    
 H   -2.24508667       6.57269812       1.27391875    
 H   -3.10110164       6.13712168       5.60483485E-02
 O   -1.64075565       3.09459496     -0.111149192    
 H   -2.21404338       3.26160812      0.654410720    
 H   -1.66429758       2.13828874     -0.255868971    
 O   -7.39379120       2.26551867       3.19929242    
 H   -8.33040047       2.37690306       3.06329465    
 H   -6.94236088       2.93005776       2.64672709    
 O   -2.13147497       4.95236301       4.12168264    
 H   -1.59027362       4.34862137       4.65398407    
 H   -1.55100715       5.50030851       3.58121204    
 O   -5.36659622       3.38010788     -0.794328868    
 H   -5.10711813       2.45337892     -0.706342518    
 H   -4.60300159       3.87008810      -1.12048316    
 O   -4.21970415       2.87253141       7.69024277    
 H   -4.80898666       2.75979877       6.93253994    
 H   -4.17241526       3.82732511       7.83123541    
 O  -0.604565442       6.33787394       2.21642685    
 H    7.05782771E-02   7.00585890       2.29929900    
 H  -0.155377373       5.51572275       1.94773412    
 O   0.465300173       3.97316957       1.50354326    
 H  -0.139872402       3.63552213      0.828747988    
 H   0.594783843       3.25239801       2.13094687    
 O   -2.19223166       1.23244166       7.01500082    
 H   -2.88871360       1.83515596       7.33673382    
 H   -1.89451766      0.733527601       7.77077866    
 O   -5.37625408       6.70940256       2.35747123    
 H   -4.55295277       6.72581339       1.83582854    
 H   -5.84318972       7.51634455       2.15833926    
 O   -3.82556009      0.589600921       4.78502893    
 H   -3.25161433      0.613471031       5.56071234    
 H   -4.37546396       1.38396597       4.85865450    
 O   -4.86905813      0.613625884     -0.232244477    
 H   -5.06767178      0.492633343      0.713061988    
 H   -5.38899231      -3.62742618E-02 -0.699789286    
 O   -3.04271460       4.96354437      -1.45727789    
 H   -2.71311283       5.17869425      -2.32609367    
 H   -2.44488955       4.28978348      -1.08771968    
 O   -5.48141432       2.82130146       5.17331362    
 H   -5.24602270       3.74615717       5.01800632    
 H   -6.25369644       2.63000607       4.62865496    
 O   -4.23373270       5.67901182       7.60766268    
 H   -3.55777717       6.33953476       7.74297333    
 H   -4.46243715       5.72671747       6.66672611    
 O  -0.672658622       3.11585498       5.48008347    
 H   -1.13936794       2.46184802       6.01473331    
 H  -0.149804115       2.62595558       4.83361912    
 O   -2.04290199      0.386219442      -4.80150208E-02
 H   -2.99574518      0.385859758     -0.210073501    
 H   -1.95338464      0.346873820      0.913702667    
 O   -5.96796751       4.03848648       1.75149536    
 H   -5.84616804       3.86778617      0.803768516    
 H   -5.85972548       4.98315525       1.91122639    
 O   0.537614584       1.74016309       3.29535651    
 H  -0.338982701       1.37463796       3.08370447    
 H    1.15978932       1.02059698       3.22441697    
 O   -3.21262741       3.32249045       2.13744569    
 H   -2.86172009       3.89636135       2.83179808    
 H   -4.15704155       3.49375319       2.05988836    
          69
 Energy    -248.09043103350930     
  O     11.62275895      7.55923461    -14.18979713
  H     10.95237951      7.81307458    -14.81991551
  H     15.14500357      5.48447219    -12.79464407
  O     15.86831847      6.32659469    -11.36061634
  H     12.45455685      7.48632108    -14.68668769
  H     18.76903939      6.78511974    -14.02631986
  O     18.02374326     10.59587151    -11.23129498
  H     16.72410937      6.08922483    -10.98815578
  H     17.96975719      7.77605909    -13.13605736
  O     16.62799891      8.05979797    -16.22163399
  H     16.00219075      7.19550673    -11.77498081
  H     17.27499559     11.08876298    -15.22472965
  O     12.08057522      4.99312792    -12.96965383
  H     17.48805038     11.39055491    -11.34155174
  H     18.22577233     11.08498872    -16.44179549
  O     14.20830537     10.96708890    -10.52994314
  H     18.65433979     10.53941710    -11.96536996
  H     16.93531929      9.36620493    -12.07312985
  O     13.67748515      7.27222816     -9.98496297
  H     17.07422882      8.89931323    -16.05708803
  H     15.79863180      9.09967868    -13.10498018
  O     16.03873366     11.90368598    -14.33561579
  H     17.29072749      7.37035874    -16.09893219
  H     17.88905943      9.41222949     -9.86015120
  O     16.61155522      4.01084446    -15.20918924
  H     11.86220515      5.04628320    -12.02829279
  H     18.01243903      7.88887494     -9.62904962
  O     15.09874461      9.17255525     -8.49245259
  H     11.74852791      5.80675593    -13.36621124
  H     11.34219592      5.06343591     -9.41371433
  O     18.47521923      5.93677346    -15.64050879
  H     13.54160363     10.44787501    -10.99373831
  H     12.31920226      6.06764741    -10.04563365
  O     14.72197363      5.15183855    -13.59707214
  H     14.51633940     10.41282712     -9.80185384
  H     19.56382923      9.06336914    -13.36470013
  O     18.80502770      7.28682692    -13.20320753
  H     14.41485005      6.83297266    -10.43377461
  H     19.09222115     10.23956453    -14.23137984
  O     17.94134208     10.55874378    -15.69851462
  H     14.07620137      7.89574465     -9.36557437
  H     19.32263804      5.75103912    -10.37683544
  O     16.48601013      8.67686040    -12.57902743
  H     16.10140357     12.26431155    -13.44414687
  H     18.78552529      6.62305867    -11.53403554
  O     17.64727056      8.69673684     -9.25327163
  H     15.33265350     11.24135313    -14.29696562
  H     15.98259992     13.48730321    -11.20336632
  O     11.63555695      5.41122280    -10.25186268
  H     16.27071650      3.19678457    -15.57022055
  H     15.38190928     12.06212452    -11.21203093
  O     19.58197885     10.02660045    -13.42619117
  H     15.91207164      4.35963744    -14.63195367
  H     14.38553084      6.56913758    -14.72471395
  O     18.60074143      6.32109563    -10.62824039
  H     15.10567521      9.39481239     -7.56526625
  H     14.98809906      7.56767992    -15.74648380
  O     16.09750600     12.61601669    -11.57313812
  H     16.02026310      8.97438321     -8.73902200
  H     12.11674792      8.53157056    -12.59508578
  O     14.16924586      7.32670228    -15.28603878
  H     17.83618200      5.21531918    -15.50461298
  H     12.92224482      8.37706359    -11.28052181
  O     12.60915402      9.02460906    -11.92716274
  H     19.11990773      5.62023979    -16.26797894
  H     13.72124096      9.63127837    -13.24350993
  O     14.33110940      9.77393154    -13.97950138
  H     13.79556193      4.96642861    -13.38001982
  H     14.27504579      8.98482398    -14.53483199
          69
 Energy    -248.09028527842963     
  O     -1.81753846      4.24989173      4.24129391
  H     -0.88078526      4.21930342      4.51287241
  H     -3.02309862     -3.04084348      3.13445281
  O     -1.55366213      3.32938921      1.55841305
  H     -2.18830811      5.04507212      4.61351320
  H     -1.52381862     -0.03650411      2.12437808
  O      1.05139691     -3.26918521      1.06173957
  H     -1.68235531      3.76104015      2.41249537
  H     -0.60248911     -1.23709729      2.56857870
  O      1.28950939     -0.42629737     -1.32456130
  H     -0.59835423      3.26840466      1.42026353
  H     -4.06969270      0.06164633      1.38090401
  O     -1.03081903     -1.88695663     -0.41511546
  H      0.67941688     -3.21131151      1.95294059
  H     -4.08124606     -0.39506821     -0.09076061
  O     -2.91346720      1.06153936      2.43155526
  H      0.33824959     -3.03881619      0.45464166
  H     -2.02775950      2.45741736      4.86865064
  O     -2.92952626     -0.20817278     -1.62949970
  H      1.96941225     -0.73920733     -0.71584787
  H     -0.94997426      1.35675377      4.87844560
  O      0.93923035      2.22757150     -1.68785065
  H      0.51023024     -0.96775992     -1.15347093
  H      0.26529346     -2.36121022      4.37692925
  O      3.02862872     -1.44005312      0.71100654
  H     -0.91661243     -1.36187041      0.39531073
  H     -1.02640430     -2.99476068      3.79361621
  O     -2.06825598     -1.10921917      6.00307680
  H     -1.70363532     -1.42695143     -0.93484592
  H      0.94880154      2.98879497      4.98401497
  O     -3.18995709     -2.88317475      1.42941704
  H     -2.51908470      1.84779785      2.02801048
  H      1.37015184      4.29083545      4.24940099
  O     -2.84033353     -3.12181329      4.08811831
  H     -2.72472599      1.13391027      3.37654715
  H      0.84636455      0.25160461      2.02389901
  O     -0.71031731     -0.51887007      1.93066799
  H     -2.56714406      0.67411954     -1.43189057
  H      2.34179330     -0.02570337      1.75443689
  O     -4.48631569     -0.56135775      0.76889500
  H     -3.34867821     -0.14758255     -2.48398795
  H     -0.35316168     -1.35490063      6.10811859
  O     -1.90285656      1.50566674      4.96873559
  H      1.08709221      1.26932102     -1.59103140
  H      0.94986560     -1.79399934      6.82396758
  O     -0.12923117     -2.71165999      3.56883288
  H      1.32991158      2.48563851     -2.51820353
  H      1.28496080      0.93794638      3.91913687
  O      0.76298066      3.93307962      4.91315678
  H      3.88341899     -1.85268819      0.62317318
  H      0.93951871      0.24795855      5.26424882
  O      1.74073436      0.60352982      2.16858136
  H      2.38519513     -2.15598367      0.86187349
  H      1.95558032      4.27055794      2.07408732
  O      0.61001339     -1.46334295      5.99693004
  H     -2.20765892     -0.19809355      5.71158257
  H      3.09770558      5.23020147      2.44798366
  O      0.89075607      1.08643045      4.78956856
  H     -2.48182250     -1.68951205      5.35257628
  H     -0.91476985      2.26280674     -1.33920066
  O      2.30142148      4.83006301      2.78720312
  H     -2.48779403     -2.83729227      0.77653424
  H     -1.88164556      2.68558377     -0.21668956
  O     -1.83272156      2.19805568     -1.04742839
  H     -3.76864695     -2.12944332      1.23184621
  H      1.46055799      2.20561102      1.41522061
  O      1.19904622      3.03443013      0.98717268
  H     -3.35989557     -3.85833692      4.40010342
  H      1.17967403      2.86177006      0.03805890
          69
 Energy    -248.09022474560649     
  O     19.27151091      9.96332643    -14.19633763
  H     19.78212654      9.17518713    -13.95770109
  H     20.63178428      7.39514170    -12.42178733
  O     20.60872283      7.05145296    -10.66014480
  H     18.83871033      9.75966028    -15.03365242
  H     20.10305350      4.17980326    -13.92429987
  O     15.75432460      8.54870958    -10.43186692
  H     19.81952102      7.33223307    -10.18482841
  H     18.89826667      3.33500517    -13.43398850
  O     13.08535391     10.27387910    -13.55771261
  H     20.65156775      6.08979673    -10.57513991
  H     14.59934996      9.84587995    -14.43638292
  O     17.57938850      9.20077659    -16.44299695
  H     14.91691979      9.02656252    -10.39132750
  H     16.00373450      9.38491362    -13.97543223
  O     11.56957777      7.90361581    -14.20760859
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  H     17.85087779      6.00218965    -12.01507157
  O     17.84352975      5.08391344    -10.34815985
  H     12.43974222      9.59495963    -13.79030311
  H     18.73374672      6.81678759    -13.01821382
  O     14.41165496      6.35980559    -11.75655391
  H     13.17841264     10.22952802    -12.59879729
  H     14.24376631      6.71451499    -13.50410409
  O     20.46390676      4.19833588    -10.66512463
  H     16.75923495      9.28814620    -15.92998713
  H     14.59661507      7.75821770    -14.61071708
  O     15.65991120      3.92745340    -11.56481355
  H     17.47962417      9.76571384    -17.20605444
  H     18.11926561      7.95785747     -8.30373491
  O     17.09462432      2.94258075    -13.89973792
  H     10.96871209      7.64126047    -14.90001698
  H     17.22466234      7.97652851     -9.55867523
  O     20.38503062      7.54095540    -13.34782918
  H     12.41992293      7.47232129    -14.39673438
  H     19.95217096      5.81878097    -15.67262516
  O     19.79207709      3.61652904    -13.20477109
  H     18.72542298      4.68981314    -10.34792043
  H     21.38487308      5.25920020    -15.83942670
  O     15.40475430      9.40065528    -14.73719254
  H     17.88468475      5.88562777     -9.81097105
  H     12.68399120      9.00930697    -10.85592497
  O     17.82921033      6.53836430    -12.81604492
  H     14.78996965      5.47310006    -11.66221053
  H     12.72692040     10.34809688    -10.08149332
  O     14.14220043      6.91888896    -14.44785671
  H     14.95717018      6.98300643    -11.26360357
  H     15.56585805      5.80169541    -14.90033073
  O     18.04185240      7.60492690     -9.18714177
  H     20.27466486      3.95298280    -11.58982106
  H     16.92127236      5.81376525    -14.15090975
  O     20.70648305      5.43156247    -15.19197133
  H     21.01921082      3.51305104    -10.30456639
  H     17.75549188      6.05284897    -16.02573016
  O     13.22982158      9.79566024    -10.67456929
  H     16.06395270      3.47653624    -12.31351809
  H     18.27484815      7.42996444    -16.47043468
  O     16.44209677      5.39943535    -14.88842244
  H     16.39995012      4.22254809    -11.01349455
  H     11.59416985      7.61957305    -12.29920909
  O     18.52762670      6.50228988    -16.39477163
  H     16.81533097      3.75726981    -14.35176239
  H     12.68841015      6.96937070    -11.43397092
  O     11.90459137      7.53671769    -11.38937265
  H     16.80808952      2.21402145    -14.44525547
  H     17.34529384      8.24966441    -12.69374750
  O     17.16596572      9.20108715    -12.64089664
  H     20.71469984      6.81749850    -13.89305794
  H     17.91888064      9.64293300    -13.05878423
          69
 Energy    -248.09014466729349     
  O     15.14996829     10.65578990    -15.44244124
  H     15.36502714     10.45558263    -16.36223578
  H     16.95232312     10.23082906    -10.69312083
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  H     15.99569007     10.85634829    -15.00773882
  H     18.62221876     16.95746929    -14.57430446
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  H     17.47963001     16.24545355    -13.81818237
  O     16.16131465      8.64189966    -11.42864540
  H     20.89716379     10.44873249    -12.15848653
  H     20.69790203     12.63753569    -15.12431095
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  H     20.22505528     14.39456808    -11.99110308
  H     21.77669216     11.93395873    -14.25819717
  O     16.08590995     10.49694345    -18.06826596
  H     20.53901547     13.24661689    -12.98480447
  H     17.73271902      8.69301238    -12.43975251
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  H     15.86330532      7.93567915    -10.86061229
  H     16.58279570     13.76291373    -17.58920627
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  H     19.59082409      8.63570978    -14.47585116
  H     15.17801303     13.34095901    -17.14840381
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  H     19.79532920      9.06542091    -15.95078022
  H     20.39608029     16.35809145    -15.71582322
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  H     20.03667871     17.46793598    -16.73309785
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  H     17.35408755     14.73569191    -15.75040776
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  O     21.42134582     12.79769559    -14.49819543
  H     18.45666664     15.44247702    -16.58566667
  H     21.32721225     15.85023135    -13.76953708
  O     18.49932600      8.93965045    -12.97042416
  H     20.51046110     16.91108739    -11.48531354
  H     21.66922525     14.64633309    -14.67513327
  O     15.83596836     13.20223583    -17.83936016
  H     19.55143832     16.47834706    -12.62069608
  H     22.88141889      9.70689078    -13.65789489
  O     19.65812798     16.78252587    -16.18966510
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  H     21.45723485      9.66416077    -14.25960450
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  H     18.79571243     13.18494185    -16.33551906
  H     17.42987704     11.85541778    -13.51259769
  O     21.57202372     15.60798101    -14.67094879
  H     14.53768241      9.56002860    -14.14230792
  H     17.86618779     10.39563835    -13.85453757
  O     22.04594850     10.16603694    -13.66582723
  H     13.48689418      8.54792759    -13.66334414
  H     14.47743899     12.33906685    -15.37388058
  O     17.49857828     11.20786971    -14.22630548
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  H     13.29635277     13.33217296    -15.28933009
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  H     19.10885511     10.78555446    -17.04171220
  H     17.21558930     12.47006375    -11.50502216
  O     17.35692847     13.10909867    -12.21798981
  H     18.37472835     10.81319857    -10.57521415
  H     18.30111293     13.32566689    -12.20140117
          69
 Energy    -248.09009722518266     
  O      1.45189086      0.83778190      3.76757821
  H      2.23711216      1.01648015      4.27818677
  H     -4.81754248     -0.18356824      4.23274254
  O     -1.43699781     -2.02540975     -3.06369891
  H      0.87076936      0.29469321      4.33269039
  H     -4.23592649      3.51427694      1.44107445
  O     -0.25930571     -0.54841209      5.33870822
  H     -2.06870295     -1.65612151     -2.43172099
  H     -4.43822915      4.22455084      0.08081392
  O     -2.78440854     -0.91840375     -0.83017346
  H     -1.08323452     -2.81962231     -2.64399976
  H     -2.41994818      1.92593986      5.95292655
  O     -0.18734174     -4.05144890     -1.44234321
  H     -0.89543664      0.04658956      5.76451147
  H     -3.01352368      0.51233334      5.86803469
  O      1.66495642     -2.10779464     -1.01258287
  H     -0.72564156     -1.38141370      5.22034266
  H     -2.09383049      3.27932841      0.44923239
  O     -4.68868563      3.32115746      3.11191197
  H     -1.99253568     -0.37200582     -0.71421704
  H     -0.94551805      2.31570659      0.05128794
  O     -2.15237366     -2.64681527      4.54521476
  H     -3.50912088     -0.42444664     -0.42939993
  H     -3.64029897      0.57227077      1.35610629
  O     -0.68766487      2.55643092      3.15479615
  H      0.24861433     -4.86195347     -1.69140051
  H     -4.34138665      1.64897980      0.49789365
  O      0.66339746     -0.29672149     -3.00526134
  H      0.51460893     -3.40679742     -1.24093167
  H     -1.74993654      1.09478702      2.73405806
  O     -6.03824676      0.74645049      3.02241946
  H      1.50322513     -1.47297946     -1.72169229
  H     -1.74450200     -0.42154265      2.34939555
  O     -3.95706141     -0.46580843      4.55851785
  H      1.68778763     -1.59358757     -0.19529403
  H     -1.59224208     -3.76409007     -0.28056927
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  H     -4.01310549      3.38557036      3.79879535
  H     -2.57961636     -2.58131926     -0.09297894
  O     -2.32339670      1.03243000      6.30165334
  H     -5.17881710      2.50649317      3.26976088
  H      0.55888945     -1.13822837      1.62282759
  O     -1.14765933      3.11975366      0.54909699
  H     -2.54459781     -3.37932296      4.04729892
  H      1.48120166      0.01024628      2.05439870
  O     -4.39908379      0.72271504      0.76629708
  H     -2.86200214     -2.00157121      4.67009221
  H     -2.21636418      4.36247746      5.28609314
  O     -2.31009369      0.34794452      2.49195927
  H      0.13418748      2.07823437      3.31533132
  H     -1.81253149      3.23875799      4.30196581
  O     -2.28281778     -3.41553496      0.29882933
  H     -0.72859446      2.83867860      2.22679595
  H      0.13215727      0.31174001      0.06210295
  O      1.21999205     -0.51039871      1.28719757
  H      0.92760920      0.03284691     -3.85945665
  H     -0.05230412      0.48565518     -1.46805585
  O     -2.51056934      3.53521474      4.91266230
  H     -0.09020466     -0.89647115     -3.15176927
  H     -1.28002212     -2.54035078      1.53870241
  O     -0.46978095      0.65421522     -0.61398236
  H     -5.57833400      0.65506557      2.17161526
  H     -1.17433472     -2.27244206      3.06695651
  O     -0.82972847     -2.00523105      2.20406469
  H     -6.96427811      0.59545428      2.84929201
  H     -2.98151526     -4.18789086      1.83514664
  O     -3.21571522     -4.48104571      2.72881922
  H     -3.32863698     -0.16034613      3.88447083
  H     -3.66090279     -5.31814453      2.62250303
          69
 Energy    -248.08999810704975     
  O     12.87282408      4.33189729    -13.77089174
  H     12.62411111      3.49483087    -14.15542441
  H     16.16476620     10.77109298    -14.02625691
  O     17.93898700     10.28737734    -14.37271203
  H     13.81453639      4.26077854    -13.54068670
  H     15.71951123      8.55852220     -9.22917035
  O     18.36315044      7.54057880    -11.21445856
  H     18.02641717      9.32003719    -14.33178332
  H     15.61611805      8.15255136    -10.70572581
  O     15.06308224     10.18151073     -8.56923844
  H     18.52877030     10.58565686    -15.06087934
  H     15.13676574      7.98630240    -12.90415843
  O     12.65734591     10.07637130    -14.51518040
  H     17.58639005      7.63097281    -10.64459998
  H     15.03605049      9.50204075    -12.61382830
  O     18.20922111      4.68823448    -13.44779003
  H     18.76937933      6.69003610    -11.01095205
  H     18.65605427      4.45697133    -10.30096661
  O     12.60887582      7.11947751    -14.40784147
  H     14.40041038     10.53407042     -9.19010107
  H     20.18217980      4.62491396    -10.49680216
  O     15.17211032      5.22745755    -10.27320967
  H     14.77480762     10.43158067     -7.69520103
  H     15.43437863      6.01610001    -13.87975859
  O     13.37170136     11.31732432    -10.38965230
  H     13.57412179     10.36130686    -14.39641793
  H     14.44667329      7.01842573    -14.53248956
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  H     12.67504199      9.13739484    -14.72870966
  H     18.48300504     10.42397962    -12.50068469
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  H     18.33723375      5.57077203    -13.81346589
  H     18.69732018      9.38888651    -11.38155214
  O     15.25446857     10.92108646    -13.74091340
  H     18.67737700      4.68421620    -12.60313513
  H     17.10801582      7.34986824    -14.21400068
  O     15.96443164      7.86004911     -9.84658773
  H     12.55221237      6.15641616    -14.36536141
  H     18.10972864      7.55618917    -13.03029421
  O     14.93766209      8.63020780    -12.21183057
  H     12.39703160      7.42136250    -13.51204286
  H     16.49929939      4.20711300     -9.67995214
  O     19.33540846      4.91488307    -10.82598076
  H     15.41985850      6.13046178    -10.03234208
  H     17.03647976      2.96420413     -8.95031625
  O     15.37653769      6.88227046    -14.30887513
  H     14.21294688      5.20969536    -10.40785753
  H     10.45125627     10.97629124    -12.38062912
  O     18.66032680     10.33768417    -11.55757306
  H     12.62002989     11.08960654    -10.94824032
  H     11.74037105     10.46465273    -13.06697506
  O     18.02710305      7.56793262    -13.99657501
  H     13.89570797     11.95380714    -10.89192777
  H     16.45746140      4.38545023    -13.16204501
  O     17.31203473      3.72566507     -9.45355335
  H     16.42435883     11.25711814     -9.48348519
  H     15.44075560      4.71041684    -12.02484143
  O     11.29842793     10.57582209    -12.20596596
  H     17.57000917     11.32030257    -10.53413296
  H     12.48190323      4.88598919    -11.90926866
  O     15.51413460      4.46700056    -12.95806328
  H     15.87004528     12.62364587    -11.20227789
  H     12.33106036      6.22574692    -11.16833066
  O     12.54407143      5.29076892    -11.03700270
  H     15.28254778     13.90934731    -11.83855237
  H     11.76235858      8.79873991    -11.76535603
  O     12.27401972      7.98232611    -11.74072046
  H     15.25207081     11.69392215    -13.15959575
  H     13.20406079      8.25047883    -11.79061360
          69
 Energy    -248.08971840505413     
  O     14.14034860      5.87821230    -16.83170781
  H     14.34520686      6.72827739    -17.22987210
  H     19.97446126      5.17309995    -15.04798567
  O     17.15950830      8.01264721    -11.77163827
  H     13.85135156      6.07374789    -15.92725004
  H     18.60835529      7.53539229    -16.22770492
  O     20.32519197      5.17102723    -16.92641784
  H     18.08671797      7.77109354    -11.88344550
  H     19.89066107      6.99167623    -16.87884743
  O     17.92227130      4.80438231    -18.07476976
  H     16.96519591      8.65766490    -12.47039023
  H     16.97993580      8.03226300    -14.79584098
  O     12.96070393     10.10707175    -12.39368880
  H     20.98617652      4.67435832    -17.40004228
  H     16.36705640      7.47556570    -16.09097284
  O     13.59640926      6.64836233    -14.23616778
  H     19.46926901      4.97943967    -17.35409505
  H     16.07869703      9.10217369    -17.40506870
  O     16.59046410      9.60074024    -13.89528867
  H     17.18709363      4.32771279    -17.67349298
  H     14.74308957      8.94403126    -16.62208941
  O     16.90511407      4.69125274    -14.44564043
  H     17.53590113      5.55884148    -18.53980225
  H     13.51181021      5.60228328     -9.80174746
  O     11.76104473      7.45586401    -12.36148283
  H     13.61979040      9.75017628    -11.77185287
  H     14.25570008      5.99080468    -11.09973026
  O     20.09816337      9.37426652    -14.48182739
  H     12.60194100     10.89267612    -11.98921835
  H     20.53295992      7.17481871    -11.85726462
  O     15.67705033      3.64757137    -16.75743706
  H     12.82329220      6.84011868    -13.68568343
  H     19.77641997      6.57522902    -13.06239005
  O     19.64624632      5.21745423    -14.14208359
  H     14.29614216      6.35749315    -13.63838249
  H     16.12062897      6.56010411    -12.12532461
  O     19.41694125      7.80888089    -16.68779271
  H     15.69220286      9.63247883    -14.25015064
  H     16.00895585      5.25794367    -12.96858236
  O     16.99953070      7.27211699    -15.39202720
  H     17.11362980     10.30256933    -14.30113639
  H     14.28130134      8.06010336    -10.42370816
  O     15.28941199      8.54170435    -17.30892138
  H     16.50773452      4.16470564    -15.14857547
  H     15.60732471      8.69069949    -10.87832922
  O     13.57552339      6.28145337    -10.46817557
  H     16.95714987      5.59842021    -14.79103974
  H     17.87153167     10.52571651    -16.80899003
  O     19.81655992      7.34319393    -12.46457849
  H     12.00228335      8.39015145    -12.33979781
  H     18.35241905      9.19435686    -17.39817000
  O     15.53433002      5.82043151    -12.34195749
  H     12.22624107      7.04415586    -11.62134758
  H     13.56530668      9.75847168    -14.15002350
  O     14.69208270      8.90232041    -10.65688028
  H     20.02583782      8.82841489    -15.27796947
  H     13.88983719      8.36850240    -14.71117932
  O     17.67656171      9.87953123    -17.49818359
  H     20.03841597      8.76375755    -13.73852980
  H     19.06611822     10.70941239    -14.86191453
  O     14.01252543      9.31520222    -14.88255286
  H     15.17039766      2.88834557    -17.03230442
  H     18.72792834     12.21776782    -14.97605091
  O     18.37669229     11.34561406    -15.13090126
  H     15.08997555      4.42098265    -16.83904471
  H     16.14531079      7.56727733    -18.71827784
  O     16.77202179      7.07938059    -19.26789213
  H     18.74602704      4.86727791    -14.17264396
  H     17.30161093      7.75348518    -19.69293788
          69
 Energy    -248.08970301117370     
  O     -2.42739285      1.67472707      2.14632702
  H     -1.51062692      1.82535970      1.89044954
  H     -0.80374829     -3.82529102     -0.96185043
  O     -2.63842257     -2.87552836      7.76481924
  H     -2.73796253      0.98376857      1.54517266
  H      2.66430665     -2.12579228      2.19048960
  O      1.50214550      0.51767950      3.23481840
  H     -2.69618963     -2.73359233      8.70548069
  H      4.02265577     -1.90246220      2.89458258
  O     -3.22717184     -0.00730899      4.17344301
  H     -3.22026165     -2.21619715      7.34431224
  H      0.12506199     -2.05313504      1.68635993
  O      1.84071598     -3.88575011      4.66632645
  H      2.13875267     -0.20501757      3.20474683
  H     -0.61309633     -1.42231613      2.91172953
  O     -3.88005753     -4.79950268      6.01628772
  H      0.80463174      0.22164030      3.83774404
  H     -2.19672975     -4.31386727      1.02155702
  O     -0.60380610     -3.14477757      5.86654441
  H     -3.60437181     -0.71891982      3.63815140
  H     -1.77399969     -3.25853872      2.05042911
  O      0.85612926     -6.19163771      3.66571717
  H     -3.00756330      0.71654405      3.56871661
  H      1.56606364     -3.62987241      0.93492254
  O     -5.74410287     -3.17595595      4.89218137
  H      1.12123175     -3.52158327      5.19912320
  H      1.34869556     -2.45803217     -0.04810073
  O      0.29061947      1.72561812      1.12327075
  H      2.25740655     -3.15031339      4.20414476
  H     -4.94072290     -2.49141548      3.35860299
  O      1.06227246     -5.30618227      0.97741733
  H     -3.16115860     -5.08613415      5.43698021
  H     -3.78290187     -2.87626719      2.40794064
  O     -1.26616058     -4.60763549     -0.62297757
  H     -3.46686666     -4.27772153      6.71511647
  H     -0.15035544     -1.49797220     -1.37292606
  O      3.07871077     -1.85823464      3.02884950
  H     -1.19389918     -3.03647826      6.62306316
  H      0.59970235     -2.31697756     -2.44868844
  O     -0.74130426     -1.85075050      2.05565945
  H     -1.00439121     -3.82469530      5.30654423
  H     -0.56478415     -1.51476541      5.09713182
  O     -2.38701154     -3.99990950      1.91184520
  H      1.28055975     -5.38887468      4.02193296
  H     -1.50139289     -0.40020245      4.53982891
  O      1.68066564     -2.67061454      0.83067722
  H      1.33557326     -6.93641891      4.01885962
  H     -0.34530584      0.61742230     -0.26650690
  O     -4.36509189     -2.14746979      2.66381793
  H     -6.62013774     -3.52547461      5.03127068
  H     -1.65479649     -0.14424243     -0.54985785
  O      0.20938599     -2.37985284     -1.58072879
  H     -5.11999420     -3.82210933      5.26913150
  H     -3.64536878     -1.12028448      1.16746749
  O     -0.58201782     -0.69836985      4.58055149
  H      0.75672013      1.29235617      1.85936720
  H     -2.11336531     -1.03603317      1.12542876
  O     -0.76859394      0.02286844     -0.89950444
  H      0.71706345      2.56942474      0.99450807
  H     -4.93656223     -1.78737333      5.97854935
  O     -2.91750017     -0.69907771      0.69703477
  H      0.91213041     -5.69213304      1.84943417
  H     -3.94236854     -0.63453545      5.76246584
  O     -4.31548651     -1.21259488      6.44208962
  H      0.21651465     -5.28934587      0.51573909
  H     -2.00635353     -4.85235033      3.44413437
  O     -1.70154497     -5.20533995      4.29244126
  H     -1.62869435     -5.05679314     -1.38342994
  H     -0.88384068     -5.68480349      4.11198810
          69
 Energy    -248.08950814743855     
  O     16.05231861      4.88668697    -16.25904642
  H     16.28393992      5.82261461    -16.30874812
  H     17.48270845     11.50407890    -14.14400849
  O     17.96398297      6.04378313     -9.59862217
  H     15.08847984      4.85699890    -16.20711147
  H     16.47979729     10.83528120    -17.65302371
  O     13.74682242      9.99015432    -10.67495349
  H     17.94869976      5.71202606    -10.50591944
  H     16.96836288     10.72412140    -16.18747263
  O     19.92871178      9.60715556    -13.60045104
  H     18.01905830      7.00713319     -9.66213349
  H     16.93927773      8.31855238    -12.92440808
  O     16.85750291      3.33058521    -14.18299797
  H     13.62050056     10.63396712    -11.38759316
  H     15.46678624      8.40529322    -12.40385023
  O     15.51675921      5.75771136     -8.48255451
  H     14.66339556     10.09219023    -10.40890908
  H     13.48946177      4.46735354    -14.78002654
  O     13.75371393      7.71734486    -12.29671147
  H     20.87956664      9.66438679    -13.64425318
  H     12.51501821      4.40054142    -15.98089292
  O     18.98244295     10.76238446    -11.32611719
  H     19.66356611     10.00607998    -12.75205470
  H     14.96690900      5.47702977    -10.24688645
  O     15.16487083      8.58379124     -8.45891459
  H     16.64947801      3.87709968    -14.96238355
  H     15.76974702      5.46212791    -11.57457926
  O     16.36295645      7.69002261    -15.99185361
  H     17.31267633      2.55631479    -14.50253471
  H     16.46649384     10.56952651    -12.52211179
  O     17.45793955      5.31476012    -12.28930114
  H     16.43772342      5.80481083     -8.80090384
  H     15.61034926     11.84139216    -12.62731923
  O     17.99909821     11.25782759    -14.92357697
  H     15.51090446      5.16178105     -7.73846845
  H     16.82904398      8.84939877     -9.22482760
  O     16.33366675     10.36756137    -16.83552793
  H     14.04659693      6.92015423    -11.83146370
  H     17.16010265      8.76372607    -10.72856577
  O     16.34307579      8.80066229    -12.33759157
  H     13.58548684      8.41838078    -11.65410720
  H     13.11703044     12.50137525    -13.03904257
  O     13.25294951      4.88866965    -15.62618328
  H     18.65101733     10.15351875    -10.65204071
  H     13.76912932     11.26887927    -13.70749755
  O     14.87325308      5.46438079    -11.20648807
  H     18.21319813     11.26695887    -11.62026753
  H     13.46175064      6.70539715    -15.29246585
  O     16.52114342     11.53910105    -12.54951826
  H     14.31226194      8.83272862     -8.82144925
  H     13.67598634      7.60995521    -14.04898423
  O     17.56569389      8.83491539     -9.85078601
  H     15.16672294      7.61762984     -8.40678023
  H     14.24959853      4.27011255    -12.52830470
  O     13.69790005     11.76408937    -12.87109393
  H     16.42351486      8.55620962    -16.41246276
  H     15.04328161      3.45186702    -13.56218815
  O     13.75239979      7.58226191    -15.01523439
  H     15.47199408      7.64111742    -15.61375145
  H     14.73515201     10.47128209    -15.77614456
  O     14.15258632      3.74716854    -13.33423717
  H     17.78178752      6.03715613    -12.84567667
  H     13.75725919      9.43904488    -15.19157723
  O     13.98204223     10.37871899    -15.18127746
  H     17.34614523      4.55419000    -12.87332873
  H     17.63659633      7.53491447    -14.72244667
  O     18.15815323      7.44506328    -13.91120118
  H     18.74250108     10.74098697    -14.59306783
  H     18.83924816      8.12946947    -13.89488164
          69
 Energy    -248.08945137691501     
  O     13.59107437     10.92895503    -15.81281841
  H     13.04396241     11.64836570    -16.11978608
  H     16.64896779      4.64811133    -15.86368956
  O     15.89869091      5.86968786    -13.21610144
  H     13.53214328     10.93215547    -14.83975635
  H     18.81251110     10.02534526    -17.02492071
  O     19.39636000      8.77983078    -13.62516405
  H     16.85388190      5.91719759    -13.07305106
  H     17.48953075      9.54797430    -17.64082704
  O     16.60937532      7.86968928    -17.50798221
  H     15.46611094      6.38568467    -12.52226905
  H     14.93461556      8.23070954    -15.04689102
  O     14.21415578      6.30318476    -17.48919275
  H     19.83315907      8.87567222    -14.48045946
  H     15.94339983      7.32243913    -14.31206564
  O     17.52907026      9.85549297     -9.44030068
  H     18.64099208      9.38680516    -13.63896516
  H     12.88404183      9.83428331    -12.96064638
  O     14.62022993      7.57440981    -11.44500802
  H     16.48737619      7.99235630    -16.55386505
  H     14.10166117     10.64907470    -12.49044268
  O     17.12149989     10.29979121    -13.77714009
  H     15.83102267      7.38009046    -17.79046080
  H     19.31983824      5.43164135     -9.73245029
  O     18.57569432      4.61303322    -15.46402632
  H     13.80930448      5.73439425    -18.13844248
  H     18.12066350      6.35383967    -10.05810020
  O     16.65710409      7.13259366     -9.52535772
  H     14.72597539      5.72643901    -16.89231884
  H     11.40466749      7.66442789    -12.98713449
  O     19.16479640      6.75971322    -17.22695292
  H     17.83608010     10.42923116     -8.74361624
  H     12.55419377      7.95136478    -13.97921083
  O     15.69957795      4.79071341    -15.77770835
  H     18.31674989      9.57159402     -9.93835726
  H     21.17457819      9.16344707    -16.67547167
  O     17.99660132     10.34193604    -17.42786731
  H     14.98220226      8.47289598    -11.48098595
  H     19.99116057      8.16770052    -16.62842558
  O     15.87121638      8.12761723    -14.83929528
  H     13.76097298      7.61391588    -11.88133574
  H     18.92510229      7.04408743    -13.36172424
  O     13.35876909     10.66044142    -13.10787203
  H     16.68151170      9.52242742    -14.15638992
  H     18.86374094      5.99590680    -12.21297429
  O     18.98014709      6.03432807    -10.38815725
  H     16.95854425     11.02127518    -14.40066435
  H     19.68257467      8.88911494    -11.77667745
  O     12.30790691      7.96723923    -13.03907221
  H     19.06735882      3.80231194    -15.35528176
  H     19.58221048      7.87013791    -10.62565835
  O     20.33522755      8.99865630    -16.25378027
  H     18.66520453      5.10505934    -14.63093916
  H     16.21544792     10.19176069    -10.73083202
  O     18.68092598      6.13071575    -13.15196488
  H     15.86087731      7.15432945    -10.07064633
  H     16.20717030     10.28641740    -12.27667875
  O     19.63250784      8.81469094    -10.81439087
  H     16.88334632      8.05586023     -9.35303752
  H     15.47561898     11.59989742    -15.95378718
  O     15.63595316     10.17037206    -11.50100086
  H     18.28086393      7.08000631    -17.45499776
  H     16.93065809     11.46354333    -16.47067663
  O     16.37193879     11.92759359    -15.82719341
  H     19.02939457      5.97183900    -16.68819344
  H     13.26398946      9.09627485    -15.92205531
  O     13.17808463      8.17205926    -15.64640717
  H     15.58014577      5.03538763    -14.84937710
  H     13.43659776      7.58987642    -16.37279672
          69
 Energy    -248.08930121221726     
  O     12.89138057      8.75174044    -16.56278922
  H     12.48937647      8.88235866    -17.41769858
  H     11.22168596      5.69608655     -9.86374334
  O     11.87877512      9.30531686    -10.88466380
  H     12.19226104      8.41400021    -15.97300681
  H     17.03238244      4.48941032    -12.81793183
  O     15.63387767      6.93220495    -10.90033231
  H     11.64693847      8.42089353    -10.57939458
  H     16.80908438      4.71612968    -14.32026527
  O     14.94221427      2.43780672     -9.44649386
  H     12.80628560      9.45180851    -10.65554890
  H     14.63663532      7.56349577    -14.01776471
  O     13.04256026     10.98521706    -14.71193342
  H     15.78596173      5.97973092    -10.99287154
  H     14.41759812      8.73940506    -13.04011496
  O     10.78274867     10.25683592    -13.15946057
  H     15.14110737      7.20247935    -11.69131079
  H     11.21240011      7.25391800    -14.18663860
  O     15.78238728      4.24166567    -11.41475134
  H     14.46660035      3.04192459     -8.84837122
  H     10.80575611      8.73619289    -14.26406816
  O     12.61303268      2.50928644    -11.13707774
  H     15.33403892      1.76005992     -8.90283601
  H     17.90483206      9.68124528    -15.07182577
  O     15.12963682     10.46086155    -13.04598210
  H     12.23999625     10.83535366    -14.19421851
  H     17.42895810      8.62843404    -14.03981565
  O     13.46319408      4.18169850     -7.98548249
  H     13.03083085     10.32377950    -15.41290592
  H     14.60362623      6.87105046     -9.42446881
  O     11.00640698      3.90336805     -9.44707696
  H     11.17062826      9.93425650    -12.32601802
  H     14.05376299      7.77055005     -8.30097672
  O     11.56308845      6.56819360    -10.10038873
  H     10.03841190     10.80243395    -12.92022526
  H     15.16563303      8.85680726    -10.43859254
  O     17.46117126      4.82132339    -13.61833932
  H     15.03388574      4.18042515    -12.02728111
  H     14.87656550     10.13688509    -11.22855788
  O     14.29299466      7.78735874    -13.14501837
  H     15.62977882      3.58846530    -10.72200121
  H     17.80500358      6.54182885    -13.17661727
  O     10.99745601      7.96094808    -14.80850956
  H     12.91466963      2.92019820    -11.95759277
  H     17.26198431      7.41591431    -12.03978116
  O     17.12604766      9.25702367    -14.72188757
  H     13.40883834      2.32013964    -10.62473729
  H     12.79426682      6.88401660    -12.93596923
  O     13.98493659      6.89429601     -8.67763822
  H     14.42761025     10.78960546    -13.62971441
  H     11.78231619      6.32724189    -11.90970228
  O     14.64761640      9.66728265    -10.41217028
  H     15.86958107     10.20169180    -13.60741438
  H     14.45501600      7.93908501    -16.12459036
  O     17.79068885      7.45177567    -12.84183002
  H     12.56677030      4.09033815     -8.33270800
  H     15.91033167      8.11317600    -15.56227358
  O     12.05344178      6.26474186    -12.83400279
  H     13.69151322      5.11505291     -8.07717346
  H     15.26363979      5.68944616    -15.67364642
  O     15.22266760      7.46666289    -15.77102891
  H     10.21737650      3.40480113     -9.25290722
  H     15.31800406      4.30676209    -16.36062315
  O     15.26691243      4.73210103    -15.50774444
  H     11.51260496      3.38669874    -10.09966879
  H     13.04632045      4.79935569    -13.14418684
  O     13.67835429      4.07120228    -13.24018004
  H     12.38174010      6.67542748     -9.59785532
  H     14.15011529      4.21099133    -14.06949119
          69
 Ord_Energy   -248.089096    
 O   -2.70891643       1.95212913      -1.22740364    
 H   -2.94713068       2.23969030     -0.327021390    
 H   -1.96368814       2.48206472      -1.49695754    
 O   -7.31705952      -4.31818438       4.77198744    
 H   -7.39791775      -5.00828505       4.10246992    
 H   -6.38378000      -4.30080938       5.01845312    
 O   -5.50465965     -0.286356986      0.660736918    
 H   -4.58235741     -0.409082472      0.404278278    
 H   -6.05265856     -0.876038909      0.125766933    
 O   -7.23429728      -6.12174988       2.50295305    
 H   -6.26486111      -6.13518047       2.59906673    
 H   -7.51378250      -7.02543211       2.38683534    
 O   -5.33552551      -1.52545345      -2.67896819    
 H   -5.23768139     -0.565035045      -2.74559188    
 H   -6.14983463      -1.67689991      -2.18037677    
 O   -7.29785538      -3.62150812       1.20957100    
 H   -7.38287878      -4.53092480       1.52047801    
 H   -7.59570742      -3.05474162       1.93658555    
 O   -5.12704277       1.26012647      -2.55925703    
 H   -4.28367281       1.56181872      -2.19849753    
 H   -5.79897976       1.59792638      -1.95629346    
 O   -4.47200155      -4.24301338       5.19387293    
 H   -3.93166208      -4.25487757       5.97951460    
 H   -4.21421957      -3.45245981       4.68927670    
 O   -9.24201488      0.312385142     -0.295213073    
 H   -10.1287537      0.417509824     -0.628938079    
 H   -9.30533218      0.288479269      0.677166343    
 O   -2.47824669      0.222664356       2.53696346    
 H   -2.42254972     -0.133692354       1.63781703    
 H   -2.79865003     -0.513083875       3.06743217    
 O   -3.90259600      -2.11843395       3.56353998    
 H   -4.60292339      -1.45131254       3.62228727    
 H   -4.00356722      -2.55318856       2.70416188    
 O   -4.55410242      -5.83428478       2.82087541    
 H   -4.43229723      -5.43405294       3.69118166    
 H   -4.36819744      -5.12940121       2.18493915    
 O   -9.26093102      0.246213064       2.39784908    
 H   -8.99863625     -0.606181026       2.77366185    
 H   -8.73760033      0.913474798       2.85543442    
 O   -4.46243095      -3.54109120       1.18805027    
 H   -5.42804193      -3.52316260       1.13488233    
 H   -4.11786985      -3.40371180      0.298204660    
 O   -8.02628422      -2.06024742       3.38463712    
 H   -7.87585497      -2.80300236       3.98770618    
 H   -7.26330805      -1.46926856       3.46114922    
 O   -3.40177083       2.55850792       1.32507133    
 H   -4.27833128       2.82642198       1.61158693    
 H   -3.11870456       1.82511771       1.89272773    
 O   -6.16763735       3.53754711       1.67872119    
 H   -6.45455456       3.03022766      0.898969948    
 H   -6.10515976       4.44978142       1.40573657    
 O   -7.41892242       2.10114741       3.68275118    
 H   -7.58180809       2.64022255       4.45323372    
 H   -6.99192715       2.67224455       3.02431273    
 O   -5.91790295     -0.263871163       3.36744881    
 H   -5.75765610     -0.233103916       2.40999198    
 H   -6.34538984      0.564973116       3.60757256    
 O   -2.79835534     -0.617125928      -9.48297232E-02
 H   -2.67882109      0.155767843     -0.661646187    
 H   -2.86629462      -1.40525031     -0.646392167    
 O   -6.87696791       1.86666620     -0.339250833    
 H   -7.75401211       1.47351861     -0.424314648    
 H   -6.30608511       1.16248000       1.00340396E-02
 O   -3.46891046      -2.97638988      -1.42798054    
 H   -3.03866529      -3.57996631      -2.02677584    
 H   -4.13891554      -2.49137688      -1.94561994    
 O   -7.38370562      -1.76690996     -0.815126419    
 H   -7.48874426      -2.50062203     -0.192995176    
 H   -8.10982513      -1.14562738     -0.680922329    
          69
 Energy    -248.08898987561446     
  O     13.00236407     13.47799949     -9.50763120
  H     13.26865133     14.18746917    -10.12125458
  H     11.89392215     14.84659492    -14.00892814
  O     15.53619229     12.69763084    -17.14872745
  H     12.52082274     13.89574190     -8.79869969
  H     20.64910453     12.58471877    -11.64487852
  O     16.34902779      8.50698681    -11.24511589
  H     15.41667953     12.92007503    -18.06807217
  H     19.59372093     12.97691973    -12.70740740
  O     16.60011266     16.19395158    -11.04815365
  H     15.34819421     13.50489403    -16.63709306
  H     12.60847822     11.84662421    -10.37487842
  O     14.53665228     10.73983593    -15.40969157
  H     16.17086846      7.96720243    -12.02360264
  H     13.34882684     10.49487189    -10.40491697
  O     15.94879848      7.20161748    -13.74099208
  H     16.98922623      9.17528651    -11.53025488
  H     17.30575466     12.18250452    -16.55483517
  O     16.01347205     12.48910325    -12.28528303
  H     17.10835346     15.46492443    -10.64864693
  H     17.89519931     10.99030744    -15.78728434
  O     17.03790332      9.60774383    -14.79738279
  H     16.95619452     17.00409950    -10.69367346
  H     13.79815491      9.08154592    -14.89611309
  O     19.19575792     13.57729275    -14.25184336
  H     14.10553248     11.24189184    -14.70478891
  H     12.87928704      8.49391487    -13.79475201
  O     13.50491533     12.16875076    -13.24132659
  H     14.80145254     11.37442358    -16.08781799
  H     14.69133832      9.19733063     -8.72589404
  O     15.02193053     14.85269064    -15.60639051
  H     15.05657430      7.51732108    -13.97664572
  H     15.32346747      9.26271942    -10.13513725
  O     12.82012745     14.75838272    -13.79758415
  H     15.99910207      6.29004924    -14.01410961
  H     17.26332432     13.43781349     -9.69535031
  O     19.71163963     12.59266928    -11.81830817
  H     16.65114839     11.76978393    -12.37963650
  H     18.52023986     13.53762448    -10.60123961
  O     12.63086401     10.99164341    -10.82273164
  H     15.87011247     12.59360073    -11.33603798
  H     17.82339335     10.25218795    -13.25926416
  O     18.11642814     11.85939447    -16.14425507
  H     16.18524913     10.02563342    -14.98912206
  H     18.65866235     11.11313304    -12.22073238
  O     13.57502277      8.26772824    -14.42606898
  H     16.82670875      8.70817018    -14.52005006
  H     14.77224036     15.69978665    -11.18933918
  O     14.77456924      9.75323224     -9.49591853
  H     18.91470541     12.98210064    -14.96186238
  H     13.58910245     15.30290136    -12.12317544
  O     17.92871558     14.04957853    -10.03627111
  H     18.44864515     14.16758111    -14.08919728
  H     11.87126585      9.68977828    -11.88164773
  O     17.92754381     10.49288668    -12.32715653
  H     13.08741283     11.69324841    -12.51452629
  H     10.69351968      8.86140495    -12.41223284
  O     13.86748700     15.36538017    -11.20187080
  H     14.42464190     12.31158213    -12.96307935
  H     14.78744035     12.86507154     -9.37727555
  O     11.62328062      9.03079015    -12.54616466
  H     14.20388301     14.92829353    -15.10271687
  H     15.48465301     11.49150501     -9.42680379
  O     15.64662217     12.44132232     -9.49855186
  H     15.72945233     14.95069505    -14.95293357
  H     16.56081214     14.01072164    -13.12228647
  O     16.82314311     14.86178355    -13.50548772
  H     12.98356760     13.81212611    -13.64028413
  H     16.81185736     15.48915515    -12.77408280
          69
 Energy    -248.08884835548196     
  O      1.25734512     -1.10025838      4.88197071
  H      0.58584368     -1.78693992      4.74801671
  H     -1.92554742      3.36273000      1.78781615
  O      1.11773012      0.04791986     -3.06125919
  H      1.68432406     -1.29906098      5.71286356
  H     -0.14020881      2.30061217      3.17262612
  O     -0.84447556      0.62778657     -1.07802575
  H      1.16520169     -0.90831920     -2.93353000
  H      0.35400107      2.29792120      1.68253667
  O      1.33069125     -2.66316940     -2.16158552
  H      0.35038036      0.33666297     -2.55021074
  H     -2.28109124      1.66530085     -1.06184856
  O      3.15010088     -1.59929426     -0.42420808
  H     -1.02654970     -0.31775812     -0.97658047
  H     -3.28218131      2.54808871     -1.84070819
  O     -4.28260254      2.96367461      3.76539766
  H     -0.11714551      0.85344770     -0.48293745
  H     -2.25739963      0.29346957      3.20580647
  O     -3.12497287     -2.81873098      3.48692030
  H      1.69125024     -3.43891494     -2.58287578
  H     -1.40336583      1.04831433      2.16911959
  O     -0.06892528      1.46836873      4.78053975
  H      1.99309673     -2.36230382     -1.51438273
  H     -0.35294248     -2.44068192     -1.33369936
  O      3.19708602      1.02312400     -1.60565667
  H      2.94331905     -1.44577023      0.50609899
  H     -0.80270981     -2.18448903      0.12333070
  O     -5.78114944      0.68553314      2.93325499
  H      3.33666094     -0.72929546     -0.79922157
  H      2.11118173     -0.83566537      3.08256406
  O     -4.94410069     -1.07842219      4.79965080
  H     -4.56757440      3.78560536      4.15540838
  H      1.26128720     -1.29183501      1.90303417
  O     -2.84717090      3.54706867      1.55313760
  H     -3.79750278      3.19547387      2.95295567
  H     -3.31730765      1.60161373      4.58900941
  O     -0.35760548      2.58171636      2.27033823
  H     -3.80548306     -2.28939980      3.91713374
  H     -3.50463876      0.13172876      5.03979065
  O     -3.09788311      2.18659694     -0.97761141
  H     -3.29632608     -2.79144849      2.53428997
  H      2.05967103      1.37634935     -0.15928745
  O     -1.92444231      0.24575364      2.30026795
  H      0.40411680      0.62999787      4.82917618
  H      1.68619621      0.61174855      1.13385124
  O     -1.10078932     -2.14672485     -0.79965906
  H     -0.98977687      1.26300847      4.99191714
  H     -1.56620230     -3.02368837      4.11592297
  O      2.10746100     -0.86754960      2.12131801
  H      3.81661962      1.54454176     -2.10813394
  H     -0.52635328     -4.06967177      4.57552388
  O     -2.83939001      0.81444076      4.88868551
  H      2.50301590      0.73186795     -2.22409133
  H     -0.43600522     -2.53600647      2.57562932
  O      1.39331461      1.31373624      0.53558716
  H     -5.37768399      0.48775128      2.07649039
  H     -0.96031180     -1.20630229      1.97703385
  O     -0.62601487     -3.14863531      4.34884711
  H     -5.41192583      1.53601294      3.20240099
  H     -3.94901021     -1.67914883      0.61911620
  O     -0.36073178     -1.95261134      1.81311801
  H     -5.66178018     -1.35156909      5.36435916
  H     -2.83701126     -2.58372681      0.08561856
  O     -3.55681075     -2.55644963      0.72564819
  H     -5.32812863     -0.49377817      4.12090838
  H     -4.02427682      0.84567845      0.01898044
  O     -4.19150403      0.18162321      0.69618984
  H     -2.98203280      3.17027439      0.67661205
  H     -3.40037778      0.18580985      1.25854496
          69
 Energy    -248.08881652601701     
  O     17.33600707      8.37165163    -12.49976198
  H     16.74875489      9.14556089    -12.54205663
  H     15.91943872      8.90230211     -7.25903585
  O     12.40065793     12.39144085    -11.59258559
  H     17.98623095      8.58014728    -11.81738407
  H     13.75355522     11.68697313    -10.51596645
  O     17.28721526      8.85545402    -15.23956029
  H     12.91641211     12.71719070    -12.35216655
  H     14.11713482     10.24588870    -10.06049191
  O     12.21901822      9.67533281    -12.57866411
  H     11.75293576     13.06214098    -11.39374809
  H     18.62261837      8.01717303     -9.13879055
  O     15.28891095      6.80307464    -11.48665598
  H     16.44500482      8.49255008    -15.54008416
  H     17.84617420      8.10917854     -7.81635771
  O     18.90631812      9.32712040    -10.41787538
  H     17.38693365      8.57090905    -14.32002414
  H     17.21797117     12.58199128    -14.14601501
  O     20.67486200     11.14053609    -11.63938206
  H     12.05305996     10.54187594    -12.18752293
  H     17.33527031     13.02713977    -12.64716661
  O     17.07761256     11.09283447     -9.22978400
  H     12.72175458      9.87443977    -13.38187764
  H     17.02961213      6.31250945     -8.86332749
  O     14.67319276      7.95341873    -15.88565832
  H     15.60674378      6.32156647    -10.71302393
  H     16.45926069      4.87748994     -8.75312087
  O     13.46032105      7.13759354    -13.59354315
  H     16.04900481      7.27264956    -11.85949759
  H     15.25296198     10.70667712    -11.73840621
  O     13.93780166     10.41088717    -14.67356129
  H     19.61774527      9.87626133    -10.76746795
  H     16.12257284     11.38079113    -12.82939893
  O     16.70005590      9.41742621     -6.98653885
  H     18.24610115      9.93498715    -10.05178743
  H     20.02526273      9.45763105    -14.47070812
  O     14.46348978     11.14668688    -10.14675178
  H     21.58833670     11.39621289    -11.54172906
  H     19.49924760     10.87675636    -14.65552244
  O     18.24634899      7.47949419     -8.42889701
  H     20.55332137     10.87828353    -12.56805469
  H     17.89132138     11.73909838    -16.40857698
  O     16.73281960     12.96828362    -13.40576499
  H     16.16313967     11.20061281     -9.52802778
  H     17.64379181     10.55510568    -15.44156875
  O     16.25786120      5.75418056     -9.06879207
  H     17.02195270     10.63156511     -8.38335023
  H     14.12669419      7.97570107    -10.71071368
  O     15.72296335     10.54091121    -12.56417625
  H     14.33643733      7.45603629    -16.62610939
  H     12.93062042      8.89707224    -11.05066547
  O     20.18584729     10.36327489    -14.20711538
  H     14.25019454      7.58600898    -15.08868318
  H     19.17995702     12.31391809    -11.32550955
  O     17.94799791     11.47973913    -15.49220808
  H     12.85788378      7.78985187    -13.22308865
  H     17.92424958     12.33404699    -10.43624186
  O     13.48200764      8.58442078    -10.32122304
  H     14.05802944      6.88210812    -12.87687430
  H     13.83214075     12.28216941    -14.27700659
  O     18.33942123     12.76754227    -11.19241496
  H     14.14478916      9.67214958    -15.25568606
  H     14.85403431     13.24005271    -13.63546589
  O     13.90631857     13.08922564    -13.74982439
  H     14.60313344     10.39249715    -13.96629948
  H     15.10935982      7.03177256     -8.19112241
  O     14.67123868      7.83127019     -7.87302945
  H     16.60464882      9.58654436     -6.05304740
  H     14.08989591      8.11066574     -8.59138601
          69
 Energy    -248.08876732194432     
  O     10.22535458     11.01554651    -10.36295078
  H     11.06251361     11.26780727     -9.93421086
  H     13.24321410     11.04985121     -9.01886300
  O     14.07090035     10.24527119    -13.01572887
  H      9.53234908     11.17281706     -9.72724977
  H      8.90976199     10.31639550    -17.16135446
  O     17.07151265     12.56941906    -14.54800860
  H     13.71658518     11.14140526    -13.04763913
  H      9.73643208     11.31682809    -16.31794162
  O     16.05425978      7.58977161    -12.23802664
  H     13.73670352      9.74038218    -13.76824980
  H     14.03530574     13.03456998    -14.60268447
  O     10.67068745     11.80260986    -13.01071493
  H     17.71419024     12.81278523    -15.21090511
  H     13.81933850     13.43395919    -16.07468745
  O     12.28838410     13.80228845    -17.07988380
  H     16.20848529     12.81681798    -14.91322747
  H     15.02615492     12.91692735    -10.55862222
  O     14.48117900     10.48136679    -16.66556767
  H     16.49270469      8.44312471    -12.33662027
  H     14.65443025     14.39702892    -10.29617489
  O     14.62625841      9.74668853     -8.89687617
  H     15.24361407      7.74815628    -11.73479374
  H     16.30851485      8.22901266    -15.45459012
  O     13.19173819     12.86616578    -13.06262552
  H     10.71518171     10.93664981    -13.44286276
  H     16.86735681      9.50256078    -14.80634521
  O     13.21900767      8.61132793    -15.09569061
  H     10.41612270     11.63312852    -12.09523363
  H     16.51586586     11.16470545    -11.20305607
  O     16.78739712     10.33641210    -12.95177180
  H     12.22014533     12.92988917    -17.50957171
  H     15.75982337     10.92296875     -9.86954733
  O     12.59445521     11.72119690     -9.26227513
  H     12.15330149     14.45538999    -17.76157095
  H     10.24222810      9.56094692    -15.08620585
  O      9.72801431     10.41242609    -16.68082839
  H     15.31951137     10.04377997    -16.45608296
  H     11.55768224      8.96372658    -14.55618959
  O     14.46424133     13.04319668    -15.47219028
  H     14.50594293     11.35003306    -16.24235508
  H     15.58951918      6.96161902    -13.80791279
  O     14.30126902     13.56695898    -10.60472384
  H     14.86203430      9.16293602     -8.18075994
  H     15.44871740      5.82486414    -14.84909107
  O     16.65364982      9.10745019    -15.65839461
  H     14.25064976      9.19158057     -9.60246999
  H     12.95012346     10.85472475    -17.69388488
  O     16.15687091     11.60604681    -10.42535989
  H     12.26331585     12.60366243    -12.98349869
  H     11.39552216     10.80886886    -17.63534668
  O     10.69642844      9.30535434    -14.27365013
  H     13.50581904     13.19336040    -12.21026130
  H     10.60640376      9.25763707    -11.07254716
  O     15.30366575      6.75753124    -14.71591062
  H     13.59760202      9.22337793    -15.74439490
  H     10.72487828      8.60510919    -12.45888250
  O     12.14455239     11.26761844    -18.03361631
  H     13.83754473      7.87697752    -14.99615372
  H     10.77607578     13.30837205    -15.91898301
  O     10.90540055      8.45757985    -11.52213606
  H     17.02866465     11.14106910    -13.43539318
  H     10.18784879     12.68058615    -14.62251171
  O      9.99944243     12.87085122    -15.55094702
  H     15.81708151     10.28943622    -12.99146785
  H     13.78562332      9.13239931    -11.68822206
  O     13.61789521      8.42917493    -11.04069804
  H     13.10021195     12.44143296     -9.65723182
  H     12.66993270      8.25212804    -11.11178192
          69
 Energy    -248.08876183919111     
  O     11.91386276     12.78605837    -12.55600091
  H     11.05193857     13.19199409    -12.51844081
  H     20.20598209      7.62129460    -14.25238165
  O     19.25252297      7.30189540    -11.11346803
  H     11.76897147     11.82526128    -12.62846286
  H     17.84640837     12.47756637    -15.66202516
  O     17.56730393     10.94956087    -11.41602552
  H     18.96245225      6.55786097    -11.65624446
  H     18.58798970     12.17968860    -14.34954185
  O     12.48961443      7.76616406    -14.21972977
  H     18.45530139      7.67544281    -10.72007278
  H     16.11503181     10.73961337    -12.50628788
  O     16.02445879      6.81763839    -12.75292047
  H     17.39684490     10.08209833    -11.02604498
  H     14.91841684     11.28979800    -13.34671248
  O     13.39622017      6.97258179    -11.79065343
  H     18.20701804     10.82730556    -12.13087154
  H     14.43131341     11.68882623    -15.70438887
  O     18.38856589      5.41580638    -13.11945806
  H     12.72424289      7.40259241    -13.34605802
  H     14.65720135     10.19124179    -16.01152963
  O     14.16748454     12.71380941    -14.19474703
  H     11.82900308      7.18792967    -14.59216911
  H     13.77593398     10.40814349    -10.33356367
  O     17.76634516      9.08734142    -15.64456952
  H     16.78295761      6.24855937    -12.93661921
  H     14.42560453      9.78719975    -11.57582362
  O     16.66589233      8.43165178    -10.56076899
  H     15.81505883      7.30594277    -13.55723119
  H     20.40115607      8.17509405    -12.10968972
  O     17.28165565     11.42083910    -17.14914127
  H     13.48987715      7.76569590    -11.24665946
  H     21.85455126      8.60654634    -12.42455086
  O     19.61544707      7.11422168    -14.82359029
  H     14.29791552      6.71277018    -12.02489229
  H     16.50478971     15.32261963    -13.63770052
  O     18.09044495     12.86513387    -14.81302060
  H     18.84038377      5.95615319    -13.79277403
  H     16.96613494     13.88452176    -13.97217233
  O     15.32766950     10.48498228    -13.00325313
  H     18.64519292      4.51014462    -13.26855406
  H     16.65690398     12.50683208    -10.93963178
  O     14.70411784     11.07078105    -16.39834168
  H     14.81370555     13.39915319    -13.97707850
  H     16.11632396     13.71565591    -11.71880784
  O     13.95919346      9.55530480    -10.75764061
  H     13.37374482     12.86401751    -13.66480762
  H     12.95428484     12.51771363    -10.86313244
  O     20.96819933      8.60466928    -12.77522561
  H     16.85814137      8.81966130    -15.45526870
  H     14.40196411     12.60012162    -10.34625209
  O     16.27614553     14.40427729    -13.52179388
  H     17.70872333      9.82875647    -16.26161870
  H     18.64094018     10.00809434    -14.28301564
  O     16.01592590     13.22907753    -10.89328641
  H     15.81115985      8.75904179    -10.26188452
  H     19.88298814      9.97167173    -13.35633214
  O     13.54370030     12.17928528    -10.18170321
  H     16.47084322      7.88187063    -11.33519794
  H     11.91967882      9.38494311    -13.28439016
  O     19.14716191     10.52696741    -13.64276420
  H     17.36118764     11.65027228    -18.07104593
  H     12.36624334      9.85317337    -11.89165014
  O     11.78622462     10.07793734    -12.62914877
  H     16.32944414     11.35401779    -16.95399683
  H     15.20889849      9.25481329    -14.17602189
  O     15.10321375      8.55686686    -14.84818301
  H     19.02113854      7.75356278    -15.23849691
  H     14.19484999      8.23526823    -14.77605164
          69
 Energy    -248.08872703398202     
  O     15.03543116     12.01514093    -11.01208884
  H     15.69279508     11.54983986    -10.47929432
  H     14.16659849      9.85787225    -14.19221455
  O     17.26926535      7.24638779     -7.25205321
  H     15.24547055     11.82358029    -11.93320921
  H     12.09979249      9.56934859     -7.41088393
  O     16.51035770      6.23633605    -12.21330403
  H     17.95637477      7.74288632     -7.71246707
  H     12.64780130     10.67243030     -8.33008615
  O     13.00795607      4.77598450    -12.30439120
  H     16.50285610      7.83455146     -7.22030412
  H     16.43300980     11.16256881    -14.17506075
  O     18.64844241      6.29912385    -10.40852263
  H     15.97044886      5.81590418    -11.53025935
  H     15.92902604     10.18483529    -13.08644635
  O     17.06961763      4.83865803     -8.48943305
  H     15.95795186      6.27771228    -13.00848013
  H     19.99111962      8.78986032     -8.95125550
  O     16.74495156     10.15315298     -9.52187166
  H     13.64634875      4.77747608    -11.57378241
  H     18.97209866      7.82050953     -9.59573822
  O      9.91109633      8.52451866    -10.10551710
  H     12.87534779      3.86120535    -12.54383514
  H     15.59830027      4.84011033     -9.63942451
  O     15.05778114      8.90423791     -7.69682982
  H     18.24437005      5.69547915     -9.77307079
  H     14.32836233      5.71292603     -9.74291290
  O     13.41320160      8.69301991    -11.29000036
  H     18.07576665      6.26513805    -11.18596391
  H     11.84399777     11.23096433    -10.68860387
  O     11.29640993      7.02242441    -12.04083609
  H     17.09373540      5.67050573     -7.98230376
  H     13.38429920     11.55575020    -10.47952307
  O     13.49503270      9.16781776    -14.12988253
  H     17.36705877      4.15067636     -7.89975775
  H     10.72156752      8.36291388    -13.30089478
  O     12.72163652     10.30611984     -7.43743808
  H     17.61539338      9.77744356     -9.33636981
  H     11.58918952      9.31431409    -14.13299613
  O     15.66805753     10.93334602    -13.65280290
  H     16.14274704      9.79339742     -8.85372581
  H      9.55098892     11.57355904    -11.86900669
  O     19.05763065      8.62018575     -9.04632116
  H     10.22267725      7.88841911    -10.76342832
  H     10.38815910     10.41184728    -12.45117990
  O     14.86785639      5.06939874    -10.22797416
  H      9.93351003      9.38684130    -10.53503512
  H     10.45207795      7.59025091     -7.12872166
  O     12.62489321     11.04916818    -10.15190400
  H     14.60271484      8.16967090     -8.12885315
  H     10.60214758      8.16746212     -8.55691258
  O     10.72095172      9.23491880    -13.71739552
  H     14.34971481      9.51334256     -7.44268271
  H     13.90520464      5.93879217    -13.65570796
  O     10.25090724     10.96055795    -11.65924046
  H     13.12907753      9.51584744    -10.86340443
  H     14.16947218      7.33296499    -14.27822405
  O     11.09153083      7.93019875     -7.74866247
  H     14.36226350      8.74926286    -11.47029692
  H     13.38486799      7.62795463     -9.80904362
  O     14.56114121      6.46440785    -14.12830516
  H     12.01917044      7.61395517    -11.78218734
  H     12.61400132      7.23229645     -8.52352907
  O     13.41707475      7.05425500     -9.03064488
  H     11.70541406      6.15564696    -12.13946968
  H     16.41185428      9.28517555    -11.02975483
  O     16.10099093      8.92363513    -11.87169429
  H     13.35376546      9.04323602    -13.18157542
  H     16.36317903      7.99820159    -11.95346495
          69
 Energy    -248.08855358167904     
  O      1.17757926      1.96846122      6.84158936
  H      0.27556916      2.23738999      7.05541698
  H      3.80219567     -2.67437102      7.28714046
  O     -1.33501716      3.56935937      4.85066373
  H      1.78707057      2.64388785      7.16374681
  H     -0.58665209      5.39072524      7.53179275
  O     -1.53683683      2.50918890      7.40524575
  H     -0.81097815      4.09687042      4.22746807
  H     -0.82720978      5.00592852      6.05268124
  O      3.11562393      3.76534119      7.64941162
  H     -1.35159900      2.67491752      4.49035688
  H      4.78659011      0.77758412      8.23500327
  O      5.34219050      3.03618364      2.46398368
  H     -1.44867889      3.18658563      8.08728590
  H      3.78400501      0.40327967      9.36371883
  O      2.68750398      3.54750142      3.27054162
  H     -1.62900208      2.95695228      6.55094238
  H      1.44066958      1.54051170      5.17158057
  O     -0.85477127      4.53674769      9.20686050
  H      3.81694291      3.12726010      7.45829843
  H      0.65568253      0.97309607      3.97795699
  O      5.91772101      0.46662239      3.16696783
  H      3.13650990      4.41377750      6.93251721
  H     -1.85562260      0.37766060      3.45465396
  O      1.21831636      7.13525498      5.10358548
  H      5.57233505      2.10946525      2.64808604
  H     -1.33443319      0.37002212      4.91096169
  O     -1.46425656     -0.16304013      6.58802837
  H      5.78388814      3.27449653      1.65290651
  H      3.06361338      0.31843637      4.66626153
  O      0.32604343      5.07974514      3.26324201
  H      3.55984342      3.36777432      2.89965970
  H      3.73266953     -0.71518756      5.62883581
  O      3.46874000     -1.79678633      7.12196647
  H      2.30714991      2.70171462      3.54456059
  H      4.63503033      1.29876510      6.14100699
  O     -0.48416191      5.70246107      6.62575400
  H      0.00074597      4.18316588      9.51047929
  H      5.44178435      2.61695777      6.25799983
  O      4.48732535      0.05460919      8.80427990
  H     -1.25881088      4.96526494      9.95621212
  H      2.70539257      6.04482566      5.29502980
  O      1.54482856      1.20964136      4.26408142
  H      6.71692677      0.04671727      3.47628054
  H      3.07761169      4.68540616      4.65740156
  O     -1.22729938      0.79217693      4.04002304
  H      5.22113890      0.21094303      3.79316410
  H      1.14586163      0.31817420      7.49757753
  O      3.91258501     -0.01581128      4.98896866
  H      1.01825777      8.06619345      5.14073112
  H      1.77932349     -1.09695991      7.59829767
  O      5.01042648      1.92130540      6.77664793
  H      0.60715136      6.69028757      5.71947612
  H      5.10492657      4.61373185      5.27576648
  O      3.32195853      5.30577102      5.35993312
  H     -1.65050656      0.69190088      7.00347327
  H      5.79090980      3.72886380      4.22436065
  O      1.05042679     -0.55229793      7.91869107
  H     -0.70371615     -0.51815995      7.06289202
  H      2.17428136      3.72617329      9.21701866
  O      5.83169606      3.98830477      5.15220350
  H      0.60251982      5.87731815      3.72934963
  H      1.67644475      2.55907115     10.08916380
  O      1.53365504      3.49460338      9.90501217
  H      1.13587405      4.57467730      3.10919215
  H      1.58885865      0.19937862      9.49744509
  O      2.02603298      0.68028955     10.21851970
  H      3.89964251     -1.20164772      7.76385275
  H      1.83183835      0.20151960     11.02153304
          69
 Energy    -248.08838890446572     
  O     15.71300171      5.30460278    -12.40032803
  H     14.79556663      5.16091510    -12.14081858
  H     15.69762434     10.49125515    -17.15876503
  O     17.12650170     11.32664310    -13.69137250
  H     15.81544604      6.26035088    -12.54352940
  H     16.30451707      8.06288459    -13.79554098
  O     11.67103875      8.39195047    -16.20917118
  H     16.18122940     11.52184209    -13.66445950
  H     16.63108812      8.51159696    -12.34158297
  O     16.25396166      6.91527268     -8.61426409
  H     17.29781742     11.17296495    -14.62644247
  H     14.49770940      6.83818462     -9.31002318
  O     12.79972114      6.94224847    -14.02502689
  H     12.15351518      8.01104617    -16.95405003
  H     13.43506165      7.85641174     -9.76248168
  O     14.31038740     11.29273652    -14.39201207
  H     11.89477549      7.84744623    -15.44461947
  H     17.13981591      5.51279923    -11.19419897
  O     14.27595637     10.13270648    -18.25997969
  H     16.54724849      6.59293399     -7.76615211
  H     18.42413302      6.36909293    -11.09599029
  O     16.47590386      4.34563476    -14.82240574
  H     16.84913548      6.52980639     -9.28100501
  H     12.38296594      4.58886859    -11.41118204
  O     16.76518594      8.06955056    -15.53552597
  H     12.99322618      7.78804037    -13.59227986
  H     13.15895895      5.86088978    -10.99492056
  O     14.69061131      6.22936674    -15.96931466
  H     12.73723256      6.29567714    -13.31274032
  H     18.56911949      9.01786146    -11.87099551
  O     18.64622692      6.29986945    -14.58823852
  H     13.60129350     11.36318978    -15.04399766
  H     17.74425510     10.27555199    -12.35067675
  O     16.22429816     10.60760183    -16.35536881
  H     14.02633537     10.60103825    -13.77828946
  H     20.48151649      7.34893162    -12.24099271
  O     16.02699240      7.97751936    -12.87247095
  H     14.04777088      9.19789056    -18.32513177
  H     19.24865487      7.00557049    -13.10494767
  O     13.62723818      6.91202665     -9.72123053
  H     13.57888889     10.53264777    -17.72458892
  H     16.76875877      9.73079119    -10.16164622
  O     17.79410434      5.85934088    -10.57317769
  H     16.22003146      4.59910429    -13.91779282
  H     16.22322081      8.73748107     -9.11123958
  O     12.98025452      5.25560995    -11.73882994
  H     16.56066812      3.39565099    -14.83023917
  H     13.40024369      6.74289449    -18.89609346
  O     17.86876578      9.63680790    -11.63114924
  H     16.62788962      8.95876986    -15.88981390
  H     13.95457728      6.88364496    -17.46064352
  O     19.53002623      7.41322269    -12.26693807
  H     16.03347774      7.51199288    -15.82815439
  H     14.40103784      9.79207280     -9.77908609
  O     16.08778992      9.61731811     -9.48508148
  H     15.25490948      5.50741091    -15.66664413
  H     13.03082769     10.42515320     -9.42971499
  O     13.47491095      7.35078070    -18.16463541
  H     14.05796003      6.43343503    -15.26449969
  H     12.00497255     10.12067515    -16.24980611
  O     13.44315740      9.74879469     -9.95928448
  H     18.10452679      5.51162319    -14.69262686
  H     11.50549828     11.54921639    -16.56516782
  O     12.28891931     11.04526904    -16.36056988
  H     18.13850258      7.00068805    -15.02459623
  H     14.47668042      8.77638495    -12.70401636
  O     13.60813033      9.21023659    -12.68820000
  H     15.58675595     10.86069971    -15.67143545
  H     13.43629749      9.45536046    -11.77105655
          69
 Energy    -248.08836406038228     
  O      1.03128541      0.37814634      3.11691885
  H      0.86792014      1.14302455      3.68246391
  H     -2.67874720     -2.51876024      5.11768421
  O     -5.00478432      0.66316492     -1.65504945
  H      0.95304267      0.64948209      2.18819293
  H     -0.99073234      3.13108106      3.52820164
  O      1.71872767     -2.23374901      3.76852805
  H     -4.51349951     -0.04609866     -2.08756075
  H     -2.32573070      2.86847865      2.79378822
  O     -6.80256500     -0.52437232     -0.02542850
  H     -4.34170164      1.22444215     -1.23092120
  H     -2.79887646      0.79746904      2.70177085
  O     -3.51443503     -1.64520658     -2.49183245
  H      1.55839126     -1.30239929      3.55095816
  H     -4.30872122      0.76944840      2.40098690
  O     -1.45511764     -0.32283256     -1.08037237
  H      2.66718028     -2.33204246      3.80543874
  H     -1.91668387     -0.81388232      3.95107098
  O     -4.24461094      1.80667123      5.28069847
  H     -7.69099459     -0.33782287     -0.31606743
  H     -0.69308451     -0.15449835      3.20964499
  O     -2.69714681     -4.16739737      4.24612481
  H     -6.20388851     -0.03219502     -0.61656566
  H     -4.78524350     -3.06149263      0.24681706
  O      0.11538698      2.39364253      4.85915150
  H     -4.04321317     -2.13586954     -1.83813512
  H     -5.81595285     -2.14802374     -0.43967600
  O     -2.94871159      1.90746621     -0.21880812
  H     -3.53834155     -2.15275593     -3.29880825
  H      0.07162444      0.49468159     -0.11110575
  O     -5.44970980     -0.79070929      5.14920366
  H     -1.96610809      0.44271173     -0.78081939
  H      0.22636998      1.95296099      0.34982706
  O     -2.71828138     -1.59274110      5.39026781
  H     -2.03757231     -0.80370554     -1.68224463
  H     -1.89617538      0.04991281      6.16371082
  O     -1.55080219      3.44096803      2.80535271
  H     -4.77179239      1.00618281      5.39550798
  H     -2.60459075      1.39977394      6.01810402
  O     -3.55527055      1.36865414      2.48415934
  H     -4.06812137      1.84700873      4.33391691
  H     -0.98582190      3.63616587      1.17792650
  O     -1.62263668     -0.40259201      3.12776654
  H     -1.82877935     -4.10940720      3.80389651
  H     -0.46515603      4.47046727     -0.02023426
  O     -5.13186580     -2.80493362     -0.61708353
  H     -2.75101739     -5.03863030      4.62870755
  H     -0.65677980     -3.38730042      2.10877946
  O      0.56215707      1.06007376      0.49621016
  H     -0.51922706      1.87743001      5.38888012
  H      0.37204842     -3.35420126      3.25895097
  O     -1.74919616      0.99917936      6.23330341
  H      0.59146899      2.94911585      5.47094156
  H     -1.46521018     -1.59557935      0.22285213
  O     -0.74805744      3.59650392      0.23335130
  H     -3.20065632      1.75292695      0.70126031
  H     -1.54847110     -1.51947549      1.76458810
  O     -0.38934887     -3.84343247      2.91715197
  H     -2.25270334      2.57637857     -0.20533505
  H     -3.14067755     -2.73384495      1.52883718
  O     -1.56064860     -2.13614345      1.01507812
  H     -6.26200813     -1.14162338      5.50559757
  H     -3.70308131     -3.49837084      2.74425291
  O     -3.96717503     -3.00921240      1.95748182
  H     -5.55493041     -0.76327246      4.18353552
  H     -4.91189575     -1.50200690      2.25716144
  O     -5.44177341     -0.70255262      2.39926673
  H     -3.65287589     -1.34755622      5.39007143
  H     -6.01104288     -0.60040765      1.62634136
          69
 Energy    -248.08834699524854     
  O      2.40634723      7.65907954     -3.02498196
  H      3.34366231      7.41347369     -2.99968089
  H      5.22155938      7.89844806     -4.08943209
  O      3.45021571     12.79701413      0.24294404
  H      2.29227408      8.14178973     -3.85513508
  H      4.89998721     15.84085181     -0.82285852
  O      7.09046258      8.41978808     -1.44434226
  H      4.11196028     12.38436819      0.81388696
  H      4.26453324     14.83154932     -1.80536131
  O      1.15635572     11.47347090     -0.65086941
  H      3.83116783     13.63074953     -0.06209632
  H     -0.82881576      9.93421778     -4.70454373
  O      3.23913558     14.56712232     -3.16546510
  H      7.78546705      7.86882801     -1.09470961
  H     -0.55838970      8.50433949     -4.21242095
  O      6.88757071     11.02318384     -2.50502685
  H      6.47830329      8.60179731     -0.70764533
  H      4.00987933      8.84566478     -5.75992992
  O     -1.14727072     10.06618698     -1.47913992
  H      1.82698920     11.96552945     -0.15894543
  H      5.20831690      8.31693218     -6.57254991
  O      4.18608290     11.21200802     -2.02558980
  H      1.05659209     11.94761844     -1.48904039
  H      6.62035173     11.25480664     -4.32393362
  O      6.90309172     12.98559561     -0.47023756
  H      3.69200091     14.25715958     -3.95947370
  H      5.84196386     10.50218402     -5.42679940
  O     -0.29356502      7.54187666     -2.53044712
  H      2.38447532     14.12070236     -3.13451725
  H     -1.46707626     10.99965112     -2.91752202
  O      5.66981717     11.65945066      1.54603937
  H      7.12960105     10.14431786     -2.18778349
  H     -2.40070350     11.79988018     -3.85702710
  O      5.10692984      7.43755734     -3.24957036
  H      5.93072820     11.09819319     -2.35781203
  H      1.55331906     12.30081564     -3.65988670
  O      4.81484910     14.90874058     -1.00536635
  H     -0.85426979      9.17620542     -1.71158450
  H      0.04563461     12.51651745     -3.40646151
  O     -0.46758934      9.08294370     -4.97927656
  H     -0.41641350     10.49151049     -1.01118642
  H      3.42270078     12.14814093     -4.96595633
  O      4.98017522      8.80778384     -5.78568887
  H      3.97417550     11.88560965     -1.36878348
  H      3.41455923     11.37631589     -3.62121173
  O      6.24283074     11.35206436     -5.20881763
  H      3.83758710     10.38759162     -1.66036707
  H      4.74963617     13.91803993     -6.30323480
  O     -1.50234471     11.49638510     -3.75565563
  H      6.30195283     13.68127764     -0.76326918
  H      5.26545954     12.77209455     -5.40040653
  O      0.92222043     12.80802126     -3.12684185
  H      7.04847287     12.39729571     -1.22324054
  H      4.39513329      8.98582355      0.20002798
  O      2.93032395     11.49605409     -4.45280563
  H      0.66735461      7.46846613     -2.65192753
  H      5.42573001      9.89549026      0.91258767
  O      4.58675282     13.46779554     -5.47891793
  H     -0.60799979      6.66616461     -2.31886217
  H      2.58239331      8.62612830     -1.48844350
  O      5.31467854      9.03281288      0.49492165
  H      6.19711622     12.11871492      0.86711860
  H      2.13575561      9.88707487     -0.67497287
  O      2.80086738      9.18746477     -0.73277323
  H      6.07595969     11.84852297      2.38776763
  H      2.45382305      9.97433423     -5.12611285
  O      2.24118816      9.07941942     -5.43726851
  H      5.81752632      7.73512143     -2.67002164
  H      1.27510909      9.03002579     -5.46358222
          69
 Energy    -248.08834335799574     
  O      3.72478416      5.47449380      4.39429478
  H      3.74253659      5.63207070      3.44331019
  H     -1.81287782      7.05254332      0.51364692
  O      0.91655524     11.09172232      2.93841934
  H      3.29845584      4.61571986      4.51069494
  H     -0.49688278      3.31988948      0.37109272
  O      1.24448593      9.94446335      0.42034358
  H      1.70851948     10.60347312      3.23248179
  H     -0.81122076      4.66588611      1.03856703
  O     -1.31864086      9.29680130      3.12760769
  H      1.00209335     11.98304896      3.26490049
  H     -0.06585697      4.76089782     -1.90999162
  O      2.24902036      3.28228390      1.65000167
  H      0.40620152     10.05494850     -0.05700857
  H      1.06537942      5.78600979     -1.65131348
  O      4.37924343      8.43666698      1.35723181
  H      1.18700327     10.46392510      1.23033310
  H     -0.78255998      9.46924629     -1.66681971
  O      2.84768714      6.03120018     -1.21881769
  H     -0.94902442      8.56647206      3.63994359
  H     -1.73459628      9.56559094     -0.43430568
  O      3.29491664      5.82690385      1.56998733
  H     -0.62836972      9.97021739      3.09344388
  H      2.83678940      4.03706748     -1.35894010
  O      0.19057754      7.13138483      4.18822029
  H      1.30482249      3.46423673      1.52868646
  H      2.62247574      3.05337408     -0.18789036
  O     -0.12836539      2.90089072     -1.48742116
  H      2.36032637      3.02872336      2.57427142
  H      2.89425451      7.73856858      6.46422143
  O     -0.11304753      4.30757379      4.04133033
  H      4.23578578      7.48562950      1.44768234
  H      3.06049411      6.85583854      5.20387910
  O     -1.19980279      6.30968662      0.45174045
  H      4.09615291      8.64847121      0.46390692
  H      1.18444481      8.54257152     -2.48386145
  O     -0.47524018      3.77558782      1.22137982
  H      3.06834888      5.92465475     -0.28399383
  H      0.13215289      7.43312335     -2.61136091
  O      0.13234169      5.70461721     -1.89904543
  H      2.98029503      6.96913036     -1.40294753
  H      3.59147251      9.25695582      2.84257919
  O     -1.08054089     10.05017595     -0.95114230
  H      3.00103074      4.90552972      1.60425516
  H      2.99860429      8.96994301      4.25439364
  O      2.55920458      3.13767713     -1.14983359
  H      2.50020713      6.38553914      1.63027168
  H      2.38554636      9.31670349     -0.72704059
  O      2.61642816      7.64745685      5.55674011
  H      0.92453578      7.33569630      4.78086908
  H      3.44265170      9.56684235     -1.83499967
  O      0.27138348      8.38167143     -2.73616629
  H      0.53694414      7.24571734      3.28994585
  H      1.15417523      8.27344556      1.24096722
  O      3.07240783      9.63809962      3.56329456
  H     -0.38998363      2.16463094     -2.03369997
  H      0.27725000      6.99078761      1.17409413
  O      2.98900541      8.87788571     -1.35396157
  H      0.84453031      2.88508011     -1.43858234
  H      2.15881529      2.34722671      5.08482267
  O      1.07187337      7.37127635      1.57250550
  H     -0.11502154      5.27011881      4.12892206
  H      1.36911252      3.48870388      4.39408868
  O      2.24249404      3.05831549      4.45595932
  H     -0.41909229      4.09990935      3.15082291
  H     -3.63828297      8.74568474      1.05296343
  O     -2.70852071      8.59777971      0.90200932
  H     -0.87334696      6.22981748     -0.45605674
  H     -2.24443989      8.87902879      1.71169571
          69
 Energy    -248.08831944477458     
  O     11.11344874     10.66081495    -11.48267305
  H     11.78849476     11.12769245    -11.98986909
  H     15.17039031      7.30060844    -17.52372320
  O     13.51428440      7.64881674    -15.03763467
  H     10.53480435     10.24588626    -12.13541615
  H     15.34066870     13.49908096    -15.21820154
  O     17.57525462      9.77000084    -10.84145538
  H     13.88776560      7.15159719    -15.77806176
  H     15.99167194     12.11737403    -14.99019516
  O     17.75790584      9.08515531    -16.83127235
  H     14.22338310      8.22800598    -14.71657130
  H     16.21872233      9.72148154    -14.47519762
  O     11.85463792      9.81324530    -15.09551365
  H     16.68899831     10.10791964    -11.03665676
  H     15.47860049      9.33786854    -13.17904226
  O     16.80003250      7.00149969    -11.08160441
  H     17.46002257      8.81571699    -10.76075730
  H     11.45251651      9.42831949    -10.28605066
  O     13.36335417      6.13432069    -12.75555338
  H     17.74581490      8.24884069    -16.35582420
  H     11.19660020      8.83219240     -8.88074482
  O     14.96679184     10.18229806    -11.64415539
  H     16.98395413      9.07312423    -17.41138158
  H     18.36371084      7.30768060    -12.29003664
  O     15.34191502      9.02267997    -18.28429360
  H     12.35579383      8.98301918    -15.12001178
  H     19.15573927      8.37201509    -13.06794704
  O     16.00177353      5.06891536    -13.07850588
  H     11.02625998      9.61340936    -14.64375369
  H     10.99478389      7.46475880    -11.12395001
  O     17.41380187     11.04497177    -14.97003421
  H     15.93596614      7.27789530    -10.74584677
  H     11.57942384      6.57604703    -12.24081112
  O     15.07612842      6.50516400    -16.98150312
  H     16.60256660      6.25319555    -11.65786056
  H     18.64488827     10.19511504    -12.13105453
  O     15.14066541     12.58529716    -15.02890763
  H     14.16373342      5.60141755    -12.81993378
  H     20.01175374     10.72122795    -12.63311317
  O     15.66662506      9.03798008    -14.07702110
  H     13.32295031      6.64479561    -13.57897066
  H     16.55271494      7.58914603    -14.65415277
  O     11.60590362      8.64896646     -9.72193476
  H     14.56239242      9.40162234    -11.23956921
  H     17.91989917      6.93718955    -14.40183524
  O     18.96374993      7.42683583    -13.03655346
  H     14.28246686     10.67297132    -12.11693644
  H     14.26369286     11.45657763    -16.32083759
  O     10.78388568      7.05104951    -11.97032635
  H     15.19722795      9.19531220    -19.21112473
  H     13.04579530     10.51504855    -16.39267966
  O     19.19604433     10.32207346    -12.92489326
  H     14.78332117      9.65087100    -17.79349346
  H     13.81840887      7.20483375    -11.35538583
  O     17.12213421      6.85970214    -14.94826834
  H     16.36761736      5.59546292    -13.80551662
  H     13.29190600      8.02465752    -10.15053101
  O     13.83643548     10.79191809    -16.87303414
  H     16.32250294      4.17776526    -13.20042161
  H     13.80521935     11.99421122    -13.79717879
  O     14.09665849      7.76831469    -10.61866669
  H     17.63911032     10.46522006    -15.71464025
  H     12.70045531     10.92175065    -13.90693158
  O     13.15222248     11.50680037    -13.28091777
  H     18.06492344     10.88421813    -14.27439983
  H      8.78144970      8.93824654    -13.56299393
  O      9.71291175      9.08709466    -13.42432976
  H     15.86993570      6.45870537    -16.43555772
  H     10.05793873      8.30044379    -12.96500398
          69
 Energy    -248.08825045300307     
  O      1.21549191      2.58169345      2.49965570
  H      1.88420772      1.90420593      2.65354278
  H     -3.89916861      0.99835616      3.63042986
  O      0.13500495      3.16887201      0.08769493
  H      0.54024406      2.47169005      3.18246706
  H     -2.96710680     -0.78886381      0.77767930
  O     -0.20547879     -1.66033940      4.99243785
  H      0.54773696      2.96993128      0.94741577
  H     -2.79101198     -2.14804682      1.49937673
  O      0.42159430     -3.42810507     -2.34180104
  H      0.40899115      4.05072911     -0.14973895
  H     -2.36061072     -3.19037822     -0.75333420
  O      0.66896753     -0.92354417     -3.39902507
  H     -0.80485039     -1.13989431      5.53810749
  H     -1.46861962     -3.03065323     -1.98686776
  O     -3.45252542      2.73399293      2.96917490
  H     -0.32948408     -1.32042441      4.09350606
  H     -0.77733268      0.50905614      3.02736285
  O     -2.20134229     -5.51362296      3.02124775
  H      0.64776227     -4.08192768     -2.99861315
  H     -1.52554478     -0.63423543      2.27134359
  O     -2.37711000     -0.11707526     -0.85079729
  H      0.56703172     -2.55800277     -2.75147332
  H      0.74113831     -3.45182143     -0.50521113
  O      0.32919939      0.68642807     -1.19469343
  H      0.25844400     -0.51475077     -4.15742150
  H      1.07572472     -2.39572537      0.58017663
  O      2.13531751     -4.16331678      2.72459056
  H      0.58223173     -0.28438859     -2.67331772
  H      1.63917474     -1.66757527      4.65035738
  O     -0.14764975     -4.42356293      4.44976118
  H     -3.19730691      2.61009897      2.03673296
  H      2.47609703     -2.55018937      3.70832754
  O     -3.89889245      0.09241442      3.96432275
  H     -4.03830920      3.48537232      2.99562789
  H      0.65473730     -0.55388558      1.50050234
  O     -3.08008272     -1.23276152      1.62911854
  H     -1.49417699     -5.17074570      3.59476299
  H      2.17422578     -0.31338380      1.38763721
  O     -2.32056859     -2.76717311     -1.62269607
  H     -2.77143759     -6.03061652      3.58309401
  H     -1.81979629      2.37019586      3.76986765
  O     -0.66131021     -0.34441458      2.59249841
  H     -1.45533959      0.14013299     -0.98185054
  H     -1.25088700      1.47869078      4.89925734
  O      0.82404640     -3.32238206      0.44775577
  H     -2.45972966     -1.00415729     -1.23200935
  H     -2.79500563      0.06343772      5.32170483
  O      2.48772503     -1.71439360      4.19030716
  H      0.30069879      1.60050371     -0.88767490
  H     -2.56737586      0.26093857      6.83938647
  O      1.41957998     -0.67833743      0.91270090
  H      0.77671621      0.18328948     -0.49767850
  H      4.09935284      0.65616066      2.88791798
  O     -0.99939768      2.00519010      4.13007536
  H      2.74185919     -4.87378573      2.53000830
  H      2.95469700     -0.27904997      3.34054852
  O     -2.11036903      0.16976279      6.00789476
  H      1.68368502     -3.94813920      1.89211054
  H     -1.00494007     -3.58049783      0.91015862
  O      3.16992500      0.48056461      2.76908102
  H      0.65972114     -4.43764966      3.92266507
  H     -2.11072356     -4.37530831      1.66716652
  O     -1.95957315     -3.67474596      1.01665654
  H     -0.24545054     -3.51002164      4.74884662
  H     -1.69076083      2.70334287      0.30474095
  O     -2.58876574      2.38054781      0.44890758
  H     -3.75642839     -0.46772738      3.18933022
  H     -2.67015123      1.56366065     -0.05934151
          69
 Energy    -248.08823364558239     
  O     -1.01700986      0.28368524     -1.93357732
  H     -0.60505713      1.14483176     -2.06461892
  H     -2.42466495      0.55564909      4.47472654
  O      0.32698625      2.85195633     -2.07533025
  H     -0.30582412     -0.31207936     -1.65947014
  H      0.81051569      0.95760518      4.11845087
  O      3.49185424      2.10336929      3.05695660
  H      1.15428352      2.73489139     -1.57545775
  H     -0.40095012      0.06387322      3.72722945
  O      0.75520950      0.94760594      1.07818186
  H      0.55133018      3.33482018     -2.86610088
  H      5.10286515     -0.87475720      2.37524527
  O     -3.18086677     -0.22930049     -0.36774193
  H      3.81363626      1.25773699      2.72228259
  H      3.56566733     -1.02603095      2.33490356
  O     -3.10282837      1.82118560      1.58137393
  H      3.76312369      2.78255429      2.42887990
  H     -2.78079793      3.06591873      4.57546592
  O      1.02748104     -1.16983396     -0.68150419
  H      0.83030982      0.68124797      2.00225615
  H     -3.09407672      3.10540450      3.06974856
  O     -1.99436112     -1.87505160      1.65096672
  H      1.53420695      1.45419008      0.81641520
  H     -1.13096234      4.21900547      3.26377616
  O      2.55955999      2.47761625     -0.53253463
  H     -3.88192465     -0.52940977     -0.94052613
  H     -0.42297851      3.93317656      1.92699075
  O      3.91552777      4.22518335      1.19842013
  H     -2.42470968     -0.01774795     -0.94367738
  H      2.11968843      2.52233612      4.08055787
  O      0.28909687     -3.22364946      1.10365514
  H     -2.40035477      2.34043801      1.16256003
  H      0.74568841      3.24888405      3.93328944
  O     -2.20699439      0.13450091      3.63441558
  H     -3.31251574      1.13153571      0.93908941
  H     -3.24218339      1.67268853      6.66879053
  O      0.56483130      0.10697588      3.73341215
  H      0.88283537     -0.45352829     -0.04188207
  H     -1.75643280      1.90761275      6.30910787
  O      4.30548152     -0.44925936      2.07058780
  H      0.82913035     -1.98487234     -0.20581598
  H      0.47008724      2.09189434      7.55619977
  O     -2.76438481      3.64171689      3.80182216
  H     -2.41024077     -1.38634416      0.93017123
  H      0.43322318      2.49150104      6.07272283
  O     -0.27852534      4.29725534      2.81193134
  H     -2.10640882     -1.32727102      2.43767759
  H      3.93130568     -0.21429805      0.24042161
  O      1.26914858      2.68422192      4.51720080
  H      3.06090722      1.65672174     -0.66298152
  H      2.82809378     -0.54167278     -0.79095691
  O     -2.63296413      1.71074600      5.93603660
  H      3.09148596      3.09168003     -0.01473992
  H     -0.39805936      2.20976803      0.69540610
  O     -0.12750506      2.29555123      6.84138431
  H      4.70796488      4.74297703      1.08310669
  H     -0.64897882      3.17581089     -0.47203471
  O      3.62467424     -0.01144076     -0.65286695
  H      3.23873804      4.82150175      1.56376541
  H      1.61454050     -1.29458207      3.26916996
  O     -0.89000969      3.01005065      0.44509491
  H     -0.54484566     -2.77120126      1.32639641
  H      1.60024661     -2.45198392      2.24932997
  O      2.18337145     -1.93402714      2.81571045
  H      0.08885695     -4.15399795      1.04955878
  H      1.14291077      5.33923710      2.48524070
  O      1.95998816      5.81000146      2.25582059
  H     -2.50396753      0.73904923      2.93867644
  H      1.84684959      6.69903542      2.58265787
          69
 Energy    -248.08818820372619     
  O     12.23906589     11.93154519    -14.61736349
  H     13.04901528     12.45355603    -14.66596877
  H     16.36170853     10.92065101    -16.64126449
  O     15.44242939      6.74934135    -13.13550228
  H     12.00278163     11.85290921    -13.68515344
  H     14.32373991      9.32968459    -14.63019655
  O     18.25378362     10.90376792    -12.05489834
  H     16.37164606      6.82297553    -12.87405047
  H     15.28168838      8.40311663    -13.82585987
  O     17.35507312      9.48772519    -15.88295243
  H     14.88523039      7.05736534    -12.40729261
  H     11.41673474     10.24619900    -12.27288075
  O     15.49027455      9.91390513     -8.62633739
  H     17.38358680     11.25308407    -12.28867819
  H     10.59169110     11.36279617    -11.58909223
  O     13.84919943      7.88482574    -11.21419498
  H     18.21401206     10.65376344    -11.12379607
  H     17.93667376      7.09630033    -10.92157430
  O     15.66526224     11.60005131    -12.84114072
  H     18.12425018      9.42623119    -15.30654165
  H     17.93843442      8.19498197     -9.83096760
  O     15.93665299      7.59930568    -17.38904012
  H     16.58131995      9.42976536    -15.29868868
  H     12.32370542      8.18698123    -12.35759918
  O     15.20047489      7.06061527     -8.92027570
  H     15.29516867      8.97049866     -8.57479648
  H     11.96259515      8.69813993    -13.78272855
  O     15.55397089      5.45013963    -15.52228819
  H     14.90806188     10.27239679     -9.31103405
  H     20.26719156      9.43146576    -13.93022640
  O     18.28259371      5.09982172    -14.85173691
  H     14.18218087      7.51400817    -10.38667158
  H     18.97341013      9.89324738    -13.21686521
  O     15.60588882     11.46902852    -16.88968126
  H     13.93579007      8.84558676    -11.13437991
  H     18.59197441      7.72289162    -13.12297316
  O     15.19028741      9.28566926    -14.20360613
  H     15.42017537     12.28821391    -13.47049997
  H     18.33377000      6.22247836    -13.41138979
  O     11.44998956     11.16741583    -11.95556439
  H     15.51464838     10.75694748    -13.29896099
  H     17.16792752     10.06963498     -9.07071363
  O     17.66324167      7.28826655    -10.01590988
  H     15.80077791      6.84760818    -16.80111743
  H     18.62388732     10.37538023     -8.65154638
  O     11.63284519      8.61618620    -12.87741199
  H     16.57585262      8.17827156    -16.94975049
  H     14.62539399      8.67762550    -17.79955536
  O     19.33215309      9.25767089    -13.86441480
  H     16.09547558      7.06281055     -9.30755131
  H     13.63740038      9.26906151    -18.83317139
  O     18.18967574      6.92350138    -12.75980892
  H     15.17911346      6.35764074     -8.27731736
  H     13.09426534     10.93901387    -11.11889450
  O     18.09409812     10.04045196     -9.37032061
  H     15.41142086      5.88571236    -14.66373924
  H     14.59388514     11.08535971    -11.48519255
  O     13.93222461      9.34935933    -17.93008033
  H     14.86058613      4.80179382    -15.61799616
  H     14.93325559     14.09735502    -15.26249618
  O     13.98451103     10.67680366    -10.85414086
  H     18.82850409      4.97504831    -15.62501585
  H     15.08001605     12.61654368    -15.68262515
  O     14.78062279     13.20439734    -14.96551189
  H     17.37053880      5.13303203    -15.17539521
  H     12.98622557      9.30859245    -16.31697710
  O     12.70685955      9.35921497    -15.39533097
  H     14.97882886     10.86788920    -17.30854639
  H     12.47333628     10.28480849    -15.21336015
          69
 Ord_Energy   -248.087982    
 O   -4.24084759       3.18303895      -1.65584671    
 H   -4.81159782       3.85097551      -1.23153830    
 H   -4.34734201       3.28394890      -2.59769225    
 O   -5.21438694      0.205115423       3.83843970    
 H   -6.01569939      0.736534059       3.91730762    
 H   -4.52072668      0.692574263       4.30191469    
 O   -1.88236773       5.92370272       1.21716022    
 H   -1.03052747       6.21598721      0.869219184    
 H   -1.71098006       5.56975174       2.10501814    
 O   -4.12215281     -0.553897738       1.47530758    
 H   -4.14163160      -1.50619006       1.42146587    
 H   -4.54355764     -0.314287096       2.31999421    
 O   -7.45168638       1.98552704       4.01419163    
 H   -7.10227156       2.74417019       4.51620340    
 H   -8.32036591       1.80245566       4.36191082    
 O   0.762066841       6.30922127      0.376554519    
 H   0.801456869       5.35609388      0.175268143    
 H    1.29612947       6.75256586     -0.276647955    
 O   0.673946619       3.62028432       5.05101010E-02
 H  -0.248320967       3.34404612       2.14860197E-02
 H    1.06160212       3.20936155      0.834613204    
 O   -2.85744739       5.73009872       5.59011269    
 H   -3.20227194       5.05475140       6.18560410    
 H   -3.57512689       5.90981865       4.96645641    
 O   -6.36691475       4.09156895       5.31502533    
 H   -6.00731182       4.78525114       4.74682665    
 H   -5.68583155       3.91461682       5.97555161    
 O    1.78554142       2.72626662       2.52673745    
 H    2.47466683       2.09186578       2.70666361    
 H    1.00213599       2.43381453       3.02173376    
 O   -1.15658116       4.86810493       3.63418388    
 H   -1.64072680       5.21092224       4.39902401    
 H  -0.249826238       5.20788288       3.63470316    
 O   -1.70766032      0.929506361       1.53847969    
 H   -1.87894154       1.68582368      0.963310599    
 H   -2.50257897      0.382765740       1.51122642    
 O   -6.63538980       2.97142482       1.51031852    
 H   -7.05885792       2.61463857       2.29927802    
 H   -6.44361258       2.23492455      0.907037437    
 O   -4.39605665       7.04482603       1.12563777    
 H   -4.34817076       7.96925497      0.894790590    
 H   -3.48401332       6.70794153       1.12942243    
 O   -4.08379507       3.48216653       6.90214109    
 H   -3.75075889       2.88771510       6.20778465    
 H   -3.92651963       3.04770303       7.73627424    
 O    1.45826089       5.53843546       3.09562278    
 H    1.34489405       5.93396807       2.22295523    
 H    1.73844409       4.62775707       2.93574715    
 O  -0.623642385       2.14155912       3.72175932    
 H   -1.00204027       1.66977632       2.96030259    
 H  -0.882822037       3.07565641       3.66977572    
 O   -4.85129595       5.74440336       3.60378480    
 H   -4.51603079       4.90289974       3.25746918    
 H   -4.84713078       6.34690332       2.85308266    
 O   -3.22717667       1.97294044       4.78220558    
 H   -3.55959702       2.45238566       4.00645065    
 H   -2.28165627       1.86073542       4.63047647    
 O   -5.74366713       4.93764830     -0.273476005    
 H   -6.19827604       4.39022636      0.382447064    
 H   -5.36950445       5.69109583      0.196753874    
 O   -4.07080650       3.31147146       2.50466108    
 H   -4.95575619       3.14126134       2.15061069    
 H   -3.45196247       3.24596715       1.77169597    
 O   -2.23166037       3.34464765      0.225814342    
 H   -2.86332607       3.29091525     -0.504714847    
 H   -2.13705921       4.27400780      0.478442639    
 O   -5.67495632       1.10207164     -0.221042097    
 H   -5.09269571      0.504578948      0.266106069    
 H   -5.11825943       1.64750588     -0.788251996    
          69
 Energy    -248.08792422068956     
  O     -7.59939571      2.84697274     -0.07734057
  H     -8.39409040      3.31696825      0.16422166
  H     -6.36976412     -0.80724217      2.77723576
  O     -4.27728481      2.76704348     -3.61479559
  H     -7.15620700      2.60496813      0.75490415
  H     -4.48018217     -0.01872123      4.01631390
  O     -6.19601329      2.06096662      2.11806598
  H     -4.24757317      2.97529234     -4.54527939
  H     -3.23059868     -0.47628459      3.25380172
  O     -2.84710093     -1.21754536      1.67112847
  H     -3.36300953      2.81158280     -3.28847130
  H     -1.08047082      2.45110055      2.24900865
  O     -1.06205459      0.07638692     -2.25052227
  H     -6.32342726      1.32619786      2.73055143
  H     -1.56819720      2.97301331      0.88554196
  O     -5.03552560      0.43643940     -2.18303074
  H     -5.53509716      2.66524902      2.48895887
  H     -3.94758513      3.87217018     -0.36334911
  O     -4.19810719     -2.99874809      0.02035228
  H     -3.23560820     -1.93766101      1.15868664
  H     -3.49243607      2.52581350      0.25739912
  O     -3.27923308     -1.70583653     -2.16658449
  H     -1.99942840     -0.97626680      1.27261253
  H      1.09527770     -0.68469075      0.40072816
  O     -1.86802135      2.79454041     -2.28096767
  H     -1.42718936      0.96879829     -2.32295199
  H      2.38831397     -1.41566425      0.81045163
  O     -0.61848199     -0.12184480      0.49493804
  H     -0.11325767      0.15246555     -2.41431616
  H     -6.71644394      0.08528455     -1.43339636
  O      1.74764150      0.51342985     -2.20321046
  H     -4.84724557      1.20311367     -2.73544580
  H     -7.64605787      0.97305580     -0.60475014
  O     -6.33494017     -0.29073664      3.60452694
  H     -4.73936441      0.64700795     -1.28355820
  H     -1.54951539      2.39554722      4.77172658
  O     -3.52185803      0.07684377      3.99419946
  H     -3.86682694     -2.59079826     -0.80005545
  H     -2.49216488      1.46060804      3.97797250
  O     -0.83051210      2.52210969      1.31773860
  H     -4.25056097     -3.93660285     -0.14213937
  H     -6.85227727     -1.04280409      0.53116621
  O     -3.20860204      3.44143902      0.09448547
  H     -3.96447497     -1.03697307     -2.31035130
  H     -5.74059188     -2.08472433      0.80959825
  O      2.01021594     -0.86626447      0.12956196
  H     -2.44415981     -1.23519151     -2.27118282
  H     -4.95634286      1.19885473      0.99487954
  O     -7.44375907      0.05062662     -0.79734222
  H     -2.35612899      3.05882271     -1.48921114
  H     -3.77231940      0.19720688      0.87139182
  O     -1.92898776      2.25318587      3.90850385
  H     -0.93913637      2.97650570     -2.07543290
  H     -6.18601174      3.72799591     -1.00443757
  O     -6.42663059     -1.55870571      1.23230143
  H     -0.84497504     -0.10077788     -0.44558030
  H     -5.19515275      3.75998731     -2.19677344
  O     -4.20735156      0.94219128      0.44079832
  H     -0.67173185      0.78831459      0.81957936
  H     -3.39657422      3.30024005      3.29191011
  O     -5.39093545      4.16050602     -1.34158975
  H      2.48883250      0.42717208     -2.79698157
  H     -3.79891396      3.88255913      1.93085716
  O     -4.12779037      3.72107426      2.82283904
  H      1.96065708     -0.00574384     -1.40859645
  H      0.39823121      2.86963174     -0.27730897
  O      0.64334407      2.99103664     -1.20202215
  H     -6.98258199     -0.67017875      4.19177801
  H      1.12944728      2.20097474     -1.46817133
          69
 Energy    -248.08783738581516     
  O     17.54175879      7.83914815    -11.69565712
  H     17.86878864      7.64642558    -12.58355938
  H     17.88841677     10.12998831     -7.10076737
  O     12.54058384     10.77274633    -12.37029337
  H     18.12579774      8.48540779    -11.27117869
  H     14.99529108     10.64767865    -11.05078351
  O     18.17667927      7.48498976    -14.39104488
  H     13.09260902     10.96671410    -11.60041159
  H     14.22558643     10.35660690     -9.73558316
  O     15.47606639      6.90596907    -10.14849312
  H     12.68116816     11.51810640    -12.97100449
  H     18.92139045      9.05330823     -8.74491863
  O     18.84646122      9.88925474    -10.42895760
  H     17.35673268      7.79064232    -14.82071830
  H     18.18211872      8.00240046     -7.87251397
  O     20.18741230     11.40215518    -12.35678180
  H     18.49518262      6.74409903    -14.89964058
  H     16.80181770     12.83229703    -12.99404502
  O     17.04463178     11.80930013     -9.45976360
  H     16.20128049      7.19723412    -10.72123662
  H     16.06727022     11.48827664    -13.17592067
  O     11.65971159      8.57238157    -10.73491223
  H     15.87961181      6.68816870     -9.29838361
  H     16.83882780      6.00072987     -7.01434697
  O     15.95881128      8.52513362    -15.54604996
  H     19.42530560     10.36496485    -11.03749381
  H     16.21256692      7.40342457     -7.20344406
  O     13.38374976      6.55837615    -11.93009297
  H     18.18755567     10.53008309    -10.12323597
  H     15.13865036      9.45244801    -12.93690384
  O     13.74967272      8.66349779    -13.77438744
  H     21.09549686     11.64166782    -12.52111157
  H     16.47937394      9.23684555    -12.18836154
  O     17.30948964     10.86054323     -6.81645389
  H     19.85893975     10.97127440    -13.16609940
  H     18.51017318     10.55528530    -15.07888161
  O     14.50679508     11.06992271    -10.32599405
  H     17.11386320     11.62816318     -8.51424478
  H     18.97473386      9.21150244    -14.49491489
  O     18.74616450      8.78359237     -7.83340951
  H     16.11835532     11.67074081     -9.70194224
  H     16.81464699     11.77309271    -16.67012022
  O     16.17058123     12.37111755    -13.56385056
  H     12.08667411      7.83644236    -11.19006001
  H     16.64432623     11.71391996    -15.13457947
  O     16.72675197      6.70440888     -7.64814468
  H     11.73628276      9.33084342    -11.32784487
  H     14.34252104      8.17943265     -9.35827064
  O     15.82857284      9.90360217    -12.43192646
  H     16.18578098      9.44158349    -15.74864111
  H     12.89460650      8.73045537     -9.40226576
  O     19.20086949     10.14777650    -14.54235677
  H     15.10931460      8.54339130    -15.08719402
  H     17.71472401     12.89187001    -10.88838233
  O     16.92836378     11.20476886    -15.91265130
  H     13.15719092      5.63656158    -12.02838884
  H     18.82062390     12.70610349    -11.94517930
  O     13.73832710      8.80321758     -8.93340840
  H     14.11538607      6.59845566    -11.29264487
  H     14.39915391     12.80876663    -13.79307650
  O     18.03018683     13.22046774    -11.74066973
  H     13.59347578      7.87759953    -13.23424473
  H     13.25659024     13.83093075    -13.88013495
  O     13.44061073     12.89477454    -13.91227791
  H     13.20899243      9.37559489    -13.40267638
  H     15.85363329      9.58506196     -6.64389070
  O     15.31652682      8.78418751     -6.63797038
  H     17.71457766     11.25010377     -6.04582644
  H     14.63815126      8.89498656     -7.31959655
          69
 Energy    -248.08771238526850     
  O     16.35393894     12.50903876    -13.24337880
  H     16.70468857     12.10957360    -14.05925038
  H     18.71429343      4.16037453    -12.71590649
  O     13.91274976      6.35498932    -13.81042280
  H     16.60981256     13.42740858    -13.25527908
  H     14.94870051      7.83370642    -14.04013831
  O     18.16191756      8.95953988    -13.70196740
  H     13.74439592      6.25556788    -14.75833108
  H     15.45010041      8.89116124    -15.07273948
  O     12.75027853      9.06481317    -16.98298845
  H     13.13560374      6.74053973    -13.38395270
  H     14.75116870     11.59085582    -13.19925924
  O     12.60289435      8.30051790     -8.60020703
  H     18.18435427      9.58663115    -12.96215950
  H     14.59642032     10.08499831    -13.50498834
  O     11.97446273      7.66999256    -12.31879706
  H     17.21849796      8.75730944    -13.82063755
  H     14.45509995      5.79645245     -8.99339086
  O     16.19537909      8.12403327    -10.49691170
  H     12.41613342      9.25118879    -16.08712047
  H     14.62163243      5.25302774    -10.42221765
  O     16.43064475      6.84247055    -17.38062904
  H     12.07423474      9.35074920    -17.59141865
  H     11.75299596      8.90960809    -13.78682456
  O     11.49263370      6.05986752    -10.05434279
  H     12.07072960      7.59140147     -8.98088618
  H     12.57324722     10.18941819    -14.04094827
  O     18.09668929      6.56772739    -15.25404118
  H     12.86034596      8.85845080     -9.34833543
  H     18.11897375      7.51076623    -10.95660890
  O     13.71769787      6.40490479    -16.52950711
  H     11.63900299      7.07035168    -11.64122045
  H     18.76985918      7.78826966    -12.30695567
  O     18.16457562      4.91597506    -12.90640323
  H     12.55727609      8.28393952    -11.84809147
  H     15.04409433      5.85740577    -12.58117355
  O     15.46104569      8.64569160    -14.13702085
  H     16.02131739      7.33284965    -11.03068217
  H     16.46798346      5.33417092    -12.22747699
  O     14.11292853     10.86827946    -13.19588274
  H     15.94851075      7.90581826     -9.58717262
  H     15.31996510      7.42991127     -7.10333931
  O     14.04831504      5.21298593     -9.64439323
  H     17.02888726      6.69648422    -16.62660532
  H     14.19364848      7.73192594     -8.12170918
  O     11.94549742      9.58038042    -14.45285436
  H     16.85447780      6.45687147    -18.14302355
  H     17.82294595     10.45226285    -14.98988610
  O     18.79780304      7.18197110    -11.55496504
  H     12.38077312      5.67936969     -9.92949490
  H     16.71374555     10.70840810    -16.02380048
  O     15.67484729      5.73484675    -11.85519058
  H     10.86771767      5.39001795     -9.79033140
  H     13.78106765     10.06991769    -11.61747830
  O     15.09251230      7.36802077     -8.02698829
  H     18.09605311      5.90278500    -14.55538314
  H     14.55262813      8.98351783    -10.82303604
  O     17.31831586     11.15483091    -15.41635498
  H     18.31255976      7.40251329    -14.82074527
  H     17.09181776     11.22122950    -11.93424164
  O     13.68721693      9.39803327    -10.92875843
  H     14.62045244      6.44250750    -16.86931735
  H     17.03049132      9.89217470    -11.12135273
  O     17.62798414     10.52248538    -11.53962500
  H     13.30860887      7.24705918    -16.76518178
  H     15.88381063      8.60384864    -17.14490961
  O     15.52846389      9.44012652    -16.81312516
  H     18.49917423      5.65354830    -12.36451926
  H     14.57482253      9.42517575    -16.97154964
          69
 Energy    -248.08765098421887     
  O     16.40901275     10.89534328     -9.18868500
  H     17.07962266     10.32894724     -9.61029807
  H     18.33742963      6.59742471    -14.21044880
  O     16.67350969     10.74953990    -15.36766666
  H     16.84662225     11.35273733     -8.47579605
  H     14.71265154      8.10037145    -11.77579391
  O     17.27850713      9.32836351    -13.08756443
  H     16.33006885     11.52216178    -14.90035827
  H     15.50834258      9.05249377    -12.70404012
  O     15.42171579     12.77666579    -13.87347291
  H     15.90593140     10.27450843    -15.71715108
  H     14.34857221      8.37097358     -9.42496825
  O     15.04478402      6.91027993    -10.44361153
  H     17.17820823      9.82967216    -13.90636652
  H     14.91640525      9.75291558     -9.03392947
  O     14.41235270      9.39501031    -16.38386408
  H     17.45390638      8.40542865    -13.31726709
  H     13.58370779      4.20840738    -12.14538140
  O     13.16854402     11.45182156    -15.06890255
  H     15.58051248     13.71717256    -13.87855499
  H     14.76048159      4.84328322    -12.89721195
  O     16.80397878      5.65122882    -16.88373175
  H     15.26320853     12.52926615    -12.94527430
  H     12.11316194     10.50087791    -11.88260765
  O     10.95524832      8.09936819    -14.15854290
  H     16.00311501      6.80429011    -10.40231264
  H     13.12251476      9.65450788    -12.67119103
  O     13.56100070      7.37790572    -14.69248012
  H     14.71366974      6.12270074    -10.90055940
  H     18.28040260      5.68205665    -10.41444401
  O     15.42272832      5.38835660    -14.51841584
  H     14.11869050      8.63502753    -15.86189759
  H     17.86271884      6.45929458    -11.68185488
  O     17.71655247      6.58917500    -13.47011433
  H     13.89684258     10.15304518    -16.07023295
  H     20.14701961      6.63142790    -16.05371577
  O     14.63039930      8.68878298    -12.53761440
  H     13.86705434     12.01417371    -14.71291582
  H     18.97352302      7.63214284    -16.17896312
  O     14.10030265      9.23674694     -9.07914718
  H     12.74235293     11.05633880    -14.29675188
  H     18.18071100      8.35107519    -10.37960471
  O     14.36777699      4.73770610    -12.01703951
  H     16.46358855      6.39745223    -17.39256334
  H     17.93310276      9.46171747    -11.40570828
  O     12.26610955     10.10377264    -12.74773023
  H     17.69241550      5.90783554    -16.60919205
  H     15.35091915      8.56542654    -17.64204306
  O     17.85253109      6.48184299    -10.71021667
  H     10.21578352      8.45044305    -14.64898182
  H     15.61204747      8.16050214    -19.10920756
  O     19.24140090      6.77761984    -15.79474026
  H     11.28714440      8.83311319    -13.61565868
  H     14.02657303     11.88959446    -10.98167664
  O     18.15552559      9.30968895    -10.47481413
  H     12.60449088      7.47986449    -14.59510431
  H     15.50893161     11.76387294    -10.61917764
  O     15.95281762      8.06981424    -18.22281693
  H     13.96590064      7.80065528    -13.91844792
  H     17.90550232      9.76315471    -16.40302932
  O     14.91099153     12.12311899    -11.28574740
  H     14.70467657      6.02836271    -14.63909450
  H     17.57805739      8.73839333    -17.49939209
  O     18.28916199      9.04436096    -16.92138257
  H     15.86478947      5.31488139    -15.37637799
  H     11.90938389     11.47518488     -9.46673150
  O     12.44469688     11.09897166    -10.15959334
  H     16.90236155      6.17221567    -13.78522067
  H     12.96544859     10.38279091     -9.75234698
          69
 Energy    -248.08751984789814     
  O     -6.03828414      1.26811624      0.99995628
  H     -5.89508425      1.62319698      1.88654661
  H      1.45862800      1.69606588      1.03682653
  O     -5.90035820      1.03540597     -3.88250764
  H     -5.64131773      0.38399456      0.99396718
  H     -1.10246710      4.06828310     -0.28301247
  O     -5.16928103      2.20097644      3.50595861
  H     -6.54802238      1.24630313     -4.54915278
  H      0.21768347      3.28308588     -0.02992004
  O     -0.12524609     -1.50061351      1.75041614
  H     -6.38688063      0.90486712     -3.04782912
  H     -4.11171118      2.66632664     -1.10110935
  O     -2.32549864     -1.12432884      0.07495537
  H     -5.65453457      2.53313775      4.25706327
  H     -4.99718242      2.47168079      0.17365229
  O     -4.59802380     -1.48961082     -3.29152233
  H     -4.41186788      2.79864697      3.37885087
  H      0.81702016      0.47022435     -1.14547610
  O     -4.90313742     -1.27988048      0.99803131
  H     -0.47964620     -1.27629596      2.61873019
  H      0.14297411      1.75901157     -1.63674535
  O     -2.11188210     -0.36811143     -2.59005197
  H     -0.88747527     -1.56319124      1.15838473
  H     -6.68234007     -3.06699385     -1.48993616
  O     -3.60996063      2.00588175     -2.64564940
  H     -2.25736769     -1.07750115     -0.88681690
  H     -5.62641039     -2.05325534     -1.99078762
  O      1.73157512     -0.06018599      0.41349962
  H     -2.21100733     -0.20737818      0.37223694
  H     -0.93529473      1.10164922      3.64960552
  O     -1.34355510     -0.65652544      4.19467213
  H     -3.66976054     -1.26578783     -3.14285488
  H     -1.34535967      1.73334227      2.30658913
  O      1.13725260      2.57251154      1.28588139
  H     -5.00781305     -0.69428773     -3.65251561
  H     -4.36516055      0.46237592      3.58632998
  O     -0.46079940      3.47573841     -0.69843344
  H     -3.98823460     -1.29656305      0.67753112
  H     -4.34283951     -0.83444416      2.74877433
  O     -4.29830048      3.01297866     -0.21508294
  H     -5.42886019     -1.72309311      0.32167140
  H     -2.92863410      1.97330607      0.50397766
  O      0.28554915      0.83590981     -1.86529847
  H     -2.65669000      0.43209954     -2.56542616
  H     -1.43547239      1.99838966      0.13589986
  O     -6.26045367     -2.23954625     -1.27488813
  H     -1.20497187     -0.06206136     -2.44730178
  H     -2.84753210      5.84326216      0.29508913
  O     -0.90039403      1.92444164      3.14813546
  H     -4.34760994      1.81781192     -3.23939944
  H     -3.26724092      4.35399839      0.22929131
  O     -3.95658650     -0.40897736      3.52460853
  H     -2.96736110      2.59226757     -3.06926300
  H     -6.97679636     -0.47156776     -1.40950019
  O     -2.08668877      1.53341303      0.67410605
  H      1.09610133     -0.59717927      0.91967260
  H     -6.91002620      0.87065349     -0.66100337
  O     -2.55712567      4.95972963      0.50846188
  H      2.55408486     -0.54242886      0.40819341
  H     -2.20448625      3.23323714      3.30924005
  O     -7.12043963      0.47778482     -1.51670940
  H     -1.27992984     -1.08896609      5.04186596
  H     -2.79304161      4.28522536      2.34967761
  O     -2.98384863      3.78438213      3.14957735
  H     -2.29186887     -0.60885598      3.97572232
  H     -1.05658824      3.64560582     -2.46209529
  O     -1.46426484      3.59644928     -3.33959589
  H      0.58140465      2.43688944      2.06459788
  H     -0.75276490      3.39624234     -3.94545011
          69
 Energy    -248.08729257568359     
  O     12.60153950     11.76283760    -14.67273819
  H     13.38679640     12.29024477    -14.85792448
  H     17.85061730      7.58582314    -13.71415257
  O     15.12343874      6.62264850    -13.09255684
  H     12.63456057     11.01428064    -15.28472646
  H     16.05404650     10.79424917    -17.29630464
  O     18.02845475     10.31263105    -11.96874081
  H     16.04046930      6.84294927    -12.88250927
  H     17.40194321     11.15504548    -16.62556332
  O     19.08735732     10.30234265    -16.28836755
  H     14.58643167      6.84878434    -12.32145128
  H     15.01064103      8.20713280    -14.02399961
  O     11.62121239      7.15963448    -15.37101254
  H     17.74619165     10.26175677    -11.04880967
  H     16.04536376      8.79032249    -15.00177153
  O     13.58952751      7.57141210    -10.98976649
  H     17.29077929     10.72448530    -12.44646698
  H     12.09707052     11.28078232    -13.09113322
  O     15.76430588     11.24130001    -13.15681215
  H     19.77737956     10.45429620    -16.92947611
  H     11.04838895     11.46305477    -11.96954804
  O     16.03875627      6.74178749    -17.41348027
  H     19.46714425     10.49605726    -15.41438188
  H     17.10100443      8.13239320     -9.76180216
  O     14.89742692      6.19624588     -9.01539979
  H     10.76437565      6.78634978    -15.55849117
  H     17.54380375      7.16488923    -10.87822220
  O     17.66196311      8.00409209    -15.52608812
  H     11.58800814      7.48812104    -14.45393419
  H     11.57314699      9.10895580    -12.69550437
  O     14.18096164      5.91110591    -15.62600476
  H     13.94032836      7.08742793    -10.22833593
  H     12.19292145      7.80441210    -12.17880490
  O     17.75960881      7.58116673    -12.75112231
  H     13.87973066      8.48953497    -10.92016837
  H     20.92099814     10.64684480    -13.33998340
  O     16.51112876     11.48082353    -16.78800920
  H     15.53181484     10.45556145    -13.67821477
  H     19.40799299     10.61411555    -13.08200301
  O     15.21227324      8.98843397    -14.55494216
  H     15.58380702     12.00308137    -13.71852851
  H     15.73575165     10.11386954     -9.94594090
  O     11.81496187     10.95309670    -12.21752564
  H     16.16643496      6.05196473    -18.05898655
  H     16.56170810     10.34366812     -8.66265214
  O     17.27098467      7.20137775     -9.95371261
  H     15.35055004      6.42469725    -16.80046045
  H     14.29909579      9.46571848    -17.57935507
  O     11.60575771      8.15958707    -12.85946289
  H     14.97906573      5.31455442     -8.66180916
  H     15.45097819      8.51197100    -17.93369961
  O     20.07625645     10.73294077    -13.77523497
  H     15.78770563      6.45194117     -9.31113038
  H     13.37076627     10.57317402    -11.24294524
  O     16.60577140      9.96936784     -9.53937104
  H     17.23236586      7.52418064    -16.24701324
  H     14.81524216     10.69444157    -11.73366251
  O     15.14916340      9.42132895    -18.03856250
  H     18.18050419      8.72571971    -15.90308978
  H     15.60369466     12.52466191    -15.77855682
  O     14.27853762     10.34153317    -11.00791085
  H     14.51938796      5.98882689    -14.72302320
  H     15.24181556     13.98141619    -15.40282411
  O     15.10796327     13.07465690    -15.14286608
  H     13.28153639      6.25870800    -15.59987349
  H     13.80491496      9.30800030    -15.63094803
  O     13.02794112      9.45929514    -16.19333871
  H     17.87229427      8.50242066    -12.48188873
  H     12.44748056      8.70291453    -16.04842207
          69
 Energy    -248.08722626327497     
  O     16.33738376     10.33470661    -11.31911277
  H     15.74317780      9.78052892    -11.84456729
  H     12.91841590      9.72985803     -9.68914676
  O     14.69995876      5.85856672     -6.80840698
  H     17.22797127      9.98815068    -11.46064500
  H     18.49350722      5.01871082    -12.27941526
  O     15.75980873     12.90019569    -10.64276087
  H     14.58086748      5.06733063     -6.28936993
  H     19.56941036      3.99320616    -11.87989633
  O     12.52491153      7.12575522     -8.20777069
  H     15.15106188      6.50320143     -6.23590044
  H     15.67606114      6.02164232     -8.41001940
  O     14.95822794      8.56708243    -12.90081456
  H     15.92422624     11.99246929    -10.95338909
  H     15.96271195      7.35473916     -9.12519648
  O     18.77024298      9.07047016    -11.74766153
  H     15.40173198     13.38449673    -11.38203062
  H     15.97828519     12.27334250     -7.14968762
  O     20.09946842     10.97417802    -10.19337530
  H     12.67948766      8.07932469     -8.23031596
  H     16.78627963     12.95744680     -6.02090348
  O     18.71579820      6.92563520     -9.99397030
  H     13.23228598      6.73473977     -7.68252144
  H     18.01512044      8.43304592    -14.85466045
  O     12.10622520      6.38148226    -10.77454333
  H     15.72290026      8.48953687    -13.48399957
  H     18.05013470      8.51122089    -13.31238278
  O     14.54914655     12.25431665     -8.13091742
  H     14.87534588      7.70935512    -12.45643687
  H     16.09931445      9.59087413     -9.66304452
  O     12.57859591      9.15705926    -11.40651977
  H     18.74578147      8.29887918    -11.16108104
  H     16.42477944      9.30887847     -8.14912655
  O     13.21459497      9.83643599     -8.77288646
  H     19.33520393      9.72970109    -11.32455719
  H     17.42961185     12.85702241     -9.73512090
  O     19.28211971      4.88857808    -11.72514791
  H     20.92046215     11.45643482    -10.24488554
  H     17.85774063     12.54426889     -8.29524246
  O     16.08560309      6.39387154     -9.19881476
  H     19.43290873     11.59221326     -9.84346346
  H     16.53478768      8.34781991     -5.72892906
  O     16.84500010     12.29431511     -6.70330202
  H     17.83963808      6.66814382     -9.67803897
  H     15.91208836      8.00825143     -4.36680209
  O     17.52641237      8.20002286    -14.06914270
  H     19.04033696      6.18985604    -10.53356839
  H     15.24838624      6.13551350    -10.77565387
  O     15.85300459      9.06920102     -8.88919974
  H     12.22436280      6.59170637     -9.83021462
  H     13.83265560      6.07558213    -11.40216677
  O     18.19464620     12.62228763     -9.19576303
  H     11.28018204      5.91202815    -10.85079565
  H     19.86074177      9.62451048     -8.83078542
  O     15.98590973      7.69536424     -5.26487770
  H     14.83400031     12.54866882     -9.00502398
  H     19.37484814      8.16289337     -8.75177416
  O     14.77297404      6.10565569    -11.61883949
  H     13.95612743     11.50595253     -8.27727026
  H     17.33075043     10.52357292     -6.58895038
  O     19.57756042      8.94071389     -8.21376878
  H     12.29113062      8.24534770    -11.26944308
  H     18.27003015      9.37247726     -7.12285332
  O     17.43919385      9.56726107     -6.66075569
  H     13.29075035      9.09899370    -12.05402748
  H     17.20677465      6.35180363    -13.59557570
  O     17.04723215      5.48707995    -13.19968176
  H     14.13533682      9.53238166     -8.75464982
  H     16.21378291      5.56507814    -12.71730904
          69
 Energy    -248.08706744310763     
  O      1.17180451      2.22817436     -0.78328298
  H      1.92412460      1.97385589     -0.23418783
  H     -0.39050005     -0.67322511      0.31906796
  O     -1.36199258     -3.49306853      0.44219223
  H      0.68935555      1.40869358     -0.97792645
  H      2.05739535      1.94561882     -2.44825282
  O     -1.44516370      3.05464834     -0.13627891
  H     -1.65192779     -4.41597220      0.43387387
  H      2.89867257      0.74737846     -2.91396378
  O      0.27542270      1.65076913     -4.92765097
  H     -1.94353019     -3.02785957     -0.17812238
  H      3.92689520     -3.76961938      0.24683544
  O     -3.74412464      0.16215657     -0.47598287
  H     -1.64476364      2.45165592      0.59071308
  H      2.49461883     -3.55574039     -0.29105967
  O      1.15931616     -2.04605849     -2.75964437
  H     -0.50412389      2.94838813     -0.32772282
  H     -2.97685413     -5.73926441     -0.72511034
  O      3.38319529      1.08410515      0.51304321
  H      0.55264254      1.96106472     -5.78538001
  H     -1.54327171     -6.27835847     -0.85377279
  O     -2.17662060      1.04078454      1.78101554
  H      1.08155122      1.59766464     -4.38852918
  H     -2.85081253     -4.89426576     -3.24011247
  O     -3.28679721      2.51798298     -2.04963746
  H     -3.73736197      0.93770932     -1.04933299
  H     -1.86535970     -3.90950400     -3.90587530
  O     -4.18469370     -4.75540138     -1.86894066
  H     -3.31226396      0.44058231      0.34027216
  H     -1.70913558     -1.14964829     -3.85460109
  O      3.42129511     -0.77211498     -1.66707341
  H      1.11287210     -2.82704963     -2.19008178
  H     -0.52502313     -2.09876623     -3.56778183
  O     -0.45321836     -1.01787630      1.22479354
  H      1.99400801     -1.60168286     -2.56255855
  H      0.19307894     -3.87597424     -0.41220568
  O      2.43542355      1.52728464     -3.23403825
  H      4.11663760      1.45258693      0.99773967
  H      0.67696732     -4.94083884     -1.42858018
  O      3.29406757     -3.09477743      0.01324866
  H      3.00884911      0.37029781      1.06043076
  H     -0.88768279      0.20187523     -1.98857461
  O     -2.21530254     -6.03198807     -0.20710140
  H     -2.41405437      1.11379638      2.70206820
  H      0.30528708     -0.75551766     -1.80189637
  O     -2.02854548     -4.84828067     -3.74376859
  H     -1.54738562      0.30372907      1.71241786
  H      0.04163378     -7.04570820     -2.79795682
  O     -1.47376814     -2.08327780     -3.75432088
  H     -3.82616316      3.28272239     -2.22973583
  H     -0.83232087     -5.77268286     -2.89490888
  O      0.95359047     -4.15269949     -0.94314844
  H     -2.61829951      2.79252125     -1.39579267
  H     -1.13530544      1.05341951     -4.06152713
  O     -0.22871327     -0.09183528     -1.34661204
  H     -5.13678056     -4.73306467     -1.91641377
  H     -2.38993607      1.33729241     -3.16334114
  O     -0.21623443     -6.26251517     -2.31980578
  H     -3.89311609     -3.84857429     -1.67017523
  H      2.62530798     -1.80616606      1.28178963
  O     -1.83425317      0.63992092     -3.52977951
  H      3.52641238     -1.59068643     -1.16467251
  H      1.33932293     -1.04686154      1.69180066
  O      2.30292364     -1.04020399      1.77164280
  H      3.45303813     -0.07201764     -1.00125584
  H     -3.33795815     -1.44177707     -1.10599003
  O     -3.04175660     -2.31012374     -1.41550007
  H     -0.78126977     -1.92427372      1.14983095
  H     -2.49917818     -2.18708477     -2.20517631
          69
 Energy    -248.08678780063224     
  O     13.61304337     12.97934036    -10.63254194
  H     14.32977114     13.00993274     -9.98438246
  H     13.68603985     13.95860894    -16.11534230
  O     14.64959058     11.67792140    -18.28593031
  H     13.07878997     12.20492332    -10.41372410
  H     12.67052472     14.35164033    -14.08534113
  O     17.38733965     13.61489431    -10.91785096
  H     14.43963309     11.91599344    -19.18439938
  H     11.44005604     14.49596216    -15.01038994
  O     14.28682884      9.97194704    -16.18902816
  H     14.59416669     12.49915096    -17.76677387
  H     17.85690886     10.70416374    -12.14338053
  O     15.26321933      7.11888367    -12.72970193
  H     17.07951092     14.26339268    -11.55933555
  H     18.63038158     11.47715692    -13.22616557
  O     16.23677330      6.59594144    -15.40002372
  H     17.82642107     12.90480855    -11.40926620
  H     12.03866863     10.18326450     -9.23498021
  O     14.75454682     11.64126963    -12.84322328
  H     14.41436279     10.50001810    -16.99139146
  H     13.46478668     10.21467065     -9.83337732
  O     11.73146488      9.39357587    -12.52983300
  H     15.15475174      9.83327080    -15.79164980
  H     13.74514674      8.18607154    -16.13954990
  O     16.79879015      9.29560265    -14.97820646
  H     15.66788192      6.79191579    -13.54173601
  H     13.17805649      7.14269167    -15.14509877
  O     18.45014441     11.46061680    -15.18532462
  H     14.31007612      7.03662791    -12.86219549
  H     15.52133770     10.91786658     -9.29175105
  O     12.55259839     11.22995383    -14.44824916
  H     16.54356446      5.81660440    -15.85387702
  H     15.72399983      9.78398837    -10.32499281
  O     14.50179280     13.82439219    -16.61207555
  H     15.31486865      6.74537256    -15.68123426
  H     16.37722836     14.64146006    -13.59582482
  O     12.24162003     13.99521773    -14.88416725
  H     14.45464446     12.14860147    -12.07924119
  H     16.73325044     16.12268615    -13.32918963
  O     18.45864482     11.44775666    -12.27887090
  H     13.97474954     11.45844806    -13.38518335
  H     15.93527319      8.66319560    -12.26489706
  O     12.53533207     10.45116664    -10.00416852
  H     11.89897217     10.06824517    -13.20239053
  H     15.71474180     10.23069813    -12.37833613
  O     13.67733657      7.23679874    -15.96666671
  H     11.98381787      9.77258938    -11.68021506
  H     13.43062856     14.32609916    -11.88791320
  O     15.18892761     10.05420882     -9.57085498
  H     16.73737101      8.35887477    -15.20779060
  H     14.41916999     15.17589804    -12.71186289
  O     16.31548813     15.35797625    -12.94062403
  H     16.68110554      9.35061951    -14.02059542
  H     11.85233213      6.32772734    -13.12935872
  O     16.35644037      9.53275577    -12.16634831
  H     17.92153629     10.64576859    -15.23306951
  H     12.19101287      7.83508640    -13.06855565
  O     13.49526009     14.90435700    -12.66006624
  H     19.10510673     11.40613799    -15.87612013
  H     16.12219203     13.11783070     -8.10612605
  O     12.50814062      6.97030583    -13.38569048
  H     13.07723573     10.81856664    -15.15137946
  H     16.45168181     13.07667254     -9.61871233
  O     15.83718539     12.74696138     -8.93613990
  H     12.37084668     12.14652219    -14.68940044
  H     17.09415031     12.66493074    -14.83412361
  O     16.31793890     13.17235518    -14.56946978
  H     15.18126931     13.64155020    -15.94893824
  H     15.80445301     12.61964154    -13.96163399
          69
 Energy    -248.08671188359989     
  O     12.04863788     11.49296014     -9.01120284
  H     12.72745959     11.48805277     -8.32274125
  H     11.88690373     12.74077320    -13.62305790
  O     11.61571803      9.42150805    -16.76978262
  H     12.26047614     12.23212366     -9.58891528
  H     13.67579211     13.96738884    -14.22892029
  O     11.32113470      9.06032631     -9.96414175
  H     11.60693982      9.17968938    -17.69220123
  H     13.75344450     12.52978845    -14.78747029
  O     13.25275565      8.76148936    -14.56081545
  H     11.56376973     10.39311827    -16.73481944
  H     17.48898812      9.96741221    -11.82947093
  O     15.16203017     13.33644205     -9.11311612
  H     11.53042888      9.93526106     -9.59041492
  H     16.86041178      8.85783114    -12.71914691
  O     11.30944154     12.12775766    -16.50576579
  H     10.66696020      8.66398392     -9.39524986
  H     14.93932194      7.89675952    -11.97795070
  O     11.33810977      9.63169681    -12.71087736
  H     12.75373667      8.84328332    -15.38345520
  H     14.69285152      7.98028213    -13.49498877
  O     15.91398460      9.72364784     -8.56547847
  H     12.63339340      8.98974061    -13.85159857
  H     13.52440444     13.97162188    -11.62208287
  O     14.37521682     11.06129941    -11.82953266
  H     15.81400376     12.80275621     -9.58543977
  H     12.20739745     13.15495082    -11.62451967
  O     14.21780301     11.63266659     -7.20326416
  H     14.43486966     13.48189971     -9.72787215
  H     13.16246384      8.58351365    -10.21245363
  O     16.94121535     13.22758383    -12.72707829
  H     10.49368006     12.25629493    -16.00632550
  H     14.15889669      9.48705612    -10.95839750
  O     11.22475674     12.45965446    -12.97315477
  H     11.97878897     12.66253733    -16.06073960
  H     17.60336711     10.55760216    -14.00629788
  O     13.18706074     13.31847717    -14.74610944
  H     11.36136222     10.59755007    -12.73591800
  H     18.19509948     11.10285855    -15.33200402
  O     17.57799717      9.50877575    -12.66961261
  H     11.28234236      9.37078045    -11.78383610
  H     16.67691196     10.81999415     -9.77577721
  O     15.38051972      7.83314646    -12.83550269
  H     15.34543505     10.24297117     -7.98519043
  H     15.96416126     11.27854689    -11.06354666
  O     12.96455317     13.40394827    -11.07175466
  H     15.31659427      9.20723560     -9.12426175
  H     15.66051388     11.04914673    -14.76401605
  O     14.08991138      8.65615084    -10.46159475
  H     14.51295954     11.08775812    -12.78517400
  H     14.31645203     10.21649201    -14.69097376
  O     17.48516639     11.22526714    -14.70882037
  H     13.84199670     11.82413568    -11.58239810
  H      8.12979410     12.38092649    -14.81794074
  O     16.77489193     11.40474964    -10.54309616
  H     14.60385966     12.31060448     -7.78588782
  H      9.09118728     11.16799232    -14.75930252
  O     14.71000404     11.09556417    -14.60357089
  H     14.31503066     11.95033242     -6.30924273
  H     14.97002291     15.67540300    -12.75513085
  O      9.04576052     12.14027997    -14.71173476
  H     17.18977948     12.66111616    -13.46777788
  H     15.51814354     14.23030571    -12.78102437
  O     14.70128903     14.76093552    -12.79291935
  H     17.10115373     12.70412474    -11.93205891
  H     10.10513758      9.30170980    -15.55441396
  O      9.50257006      9.46764213    -14.81918976
  H     10.37910042     12.45143892    -13.43840942
  H     10.04188143      9.37218884    -14.02112976
          69
 Energy    -248.08668918857501     
  O      1.83837646     -1.67619264      2.58841750
  H      2.69402543     -2.08558412      2.68746157
  H     -1.29766902     -0.67007182      5.73491369
  O     -0.41979466     -3.09355609      3.63433920
  H      1.78230018     -1.36947078      1.66512903
  H      0.12735611      3.50276261      2.35712107
  O     -4.70203164      1.45942052     -0.61916572
  H      0.34572577     -2.62290178      3.28801302
  H      0.98605740      2.28116957      2.72673714
  O     -2.73625247     -1.31698363     -3.36145733
  H     -0.84959747     -2.51833176      4.28508405
  H     -1.63549280      2.27725140     -0.26307931
  O     -0.46844953     -1.00403771     -1.73067808
  H     -4.51606714      0.52477105     -0.80924165
  H     -3.15627557      2.15596822      0.07240439
  O     -2.42205285      2.23446978      4.81369822
  H     -5.12349203      1.81835407     -1.39637645
  H     -1.74208234      0.98181406      1.43695342
  O     -4.58040791     -2.73717786      2.76847179
  H     -3.36363860     -1.32173031     -2.62293821
  H     -0.75787237      0.39328261      2.50376028
  O      0.73577365      0.69584000      3.53626068
  H     -3.07864852     -1.94020571     -3.99832380
  H     -5.01256035     -1.58802539     -0.49013911
  O     -0.43102792      1.81361739     -1.40584033
  H     -0.91643181     -1.41004043     -0.97340240
  H     -3.46306768     -1.50804020     -0.49042410
  O     -3.71459413     -0.09303577      3.64890729
  H     -1.08932568     -1.10329121     -2.46385875
  H      1.90419762      0.27049164      0.02272922
  O     -1.74716398      3.93313480      2.61227604
  H     -3.01573057      1.55839163      4.46676956
  H      1.08190158     -0.86236959     -0.62342286
  O     -1.78784308     -1.40049314      5.33876838
  H     -2.21821734      2.83115609      4.08264707
  H     -1.12114667      1.49640358      5.69511322
  O      0.98127112      3.08961500      2.19258961
  H     -4.26033291     -1.93100089      3.18856543
  H     -0.18668836      1.35961655      6.92376593
  O     -2.29882260      2.40699998      0.43448523
  H     -3.80624050     -3.28736261      2.59521995
  H      1.69731237      2.54489533      0.70902892
  O     -1.55119785      0.20981920      1.98572051
  H      0.46811904      0.70919528      4.46377260
  H      2.83231087      2.66157668     -0.33533255
  O     -4.25639348     -1.24066717     -0.98023544
  H      1.20286837     -0.12879059      3.35120815
  H     -2.12827129     -5.12463228      1.98244776
  O      1.71628428     -0.67494384      0.07885120
  H      0.45432293      1.99846506     -1.06841936
  H     -1.56366103     -3.85030853      2.65989105
  O     -0.39565187      0.97010994      6.07968506
  H     -0.45485829      0.86532372     -1.59007456
  H     -2.03119873     -2.78076198      0.88235108
  O      2.05939021      2.15313324     -0.10569264
  H     -4.48332387      0.19547407      3.13468954
  H     -1.76913207     -1.24516914      1.00288826
  O     -2.25377479     -4.18321595      2.05480209
  H     -2.94317912     -0.02217229      3.06393468
  H     -7.07547945     -2.57317764      0.83508594
  O     -1.97068603     -1.96012863      0.38036002
  H     -1.99211717      3.45344437      1.80183914
  H     -5.69230782     -2.38537706      1.50451363
  O     -6.27092244     -2.06462184      0.78755722
  H     -2.07656585      4.82328021      2.51438928
  H     -5.45953493      1.02677838      1.11122299
  O     -5.74671780      0.54860555      1.89785362
  H     -2.55857133     -0.99883184      4.92083229
  H     -6.08414525     -0.29311804      1.56713614
          69
 Energy    -248.08658861030474     
  O      2.40916117      1.24883721     -0.27648481
  H      1.70182281      0.60653963     -0.44720060
  H     -1.05483785     -2.31766652      1.22829325
  O      3.55573999     -1.57829109     -3.38799575
  H      3.00249769      0.81883238      0.34910494
  H      3.16581886      0.28924519     -3.23581096
  O     -1.93364463     -3.31810337     -0.02612508
  H      3.82673052     -1.80023968     -2.47818447
  H      2.88155039      1.26295099     -2.07192103
  O      0.21421279      2.92447828     -1.04598242
  H      4.24725671     -1.88661416     -3.96709543
  H      1.68441875     -4.38957667     -0.40328978
  O      0.84208437      2.74121591     -3.82638287
  H     -2.26689090     -2.58925433     -0.56769442
  H      2.73146905     -5.22497354      0.36300131
  O     -1.91516160      1.22875419     -0.90279695
  H     -2.50215483     -4.07974003     -0.20732904
  H     -2.85738907     -5.65803511     -1.73181983
  O      0.85219885     -2.12655584     -3.00100742
  H      1.00569991      2.54373323     -0.64466436
  H     -4.07891255     -4.73830821     -1.53808691
  O      3.93652458     -0.45090560      1.39364961
  H      0.41864128      3.01739514     -1.98544866
  H     -2.37962555     -3.03128990     -4.46653142
  O     -2.31467938      0.52170187      1.71512507
  H      1.60398190      2.16968366     -3.62261040
  H     -3.62812983     -3.71595507     -3.87789681
  O     -4.85230826     -3.21924330     -2.46157678
  H      1.15559519      3.41363237     -4.42515384
  H     -0.65620773     -1.66962143     -3.85342259
  O      4.12395866     -2.22768846     -0.84364245
  H     -2.14608348      1.07750330      0.02636493
  H     -1.58013110     -0.46101655     -4.18910824
  O     -0.50556550     -1.59899677      1.57211966
  H     -1.24288194      1.93037399     -0.91110890
  H     -0.23326486     -4.95982057     -2.03087725
  O      2.91583411      1.19757420     -3.03666701
  H      1.78538260     -2.00500321     -3.21605918
  H     -0.46673328     -3.95157778     -0.88422205
  O      2.47044215     -4.32884262      0.16308564
  H      0.74432136     -2.95985179     -2.52325238
  H      0.51909064     -1.00896753     -1.60216352
  O     -3.48086338     -5.33551047     -1.06979520
  H      3.28347482     -1.07455102      1.75927655
  H     -0.41267838      0.07924923     -0.97566464
  O     -2.82085764     -3.88801782     -4.37684108
  H      4.58355549     -0.29944839      2.07738262
  H     -1.90486926     -5.15361210     -3.62656965
  O     -1.55024755     -1.42797350     -4.13501252
  H     -1.70084026     -0.22147996      1.82108341
  H     -1.40144390     -6.61563291     -3.65662941
  O      0.22307558     -4.35277752     -1.43366681
  H     -2.45203005      0.87979521      2.58855841
  H     -1.85525401      1.39396190     -2.88934384
  O      0.34564625     -0.49349917     -0.80482080
  H     -4.30071748     -2.48158220     -2.15360376
  H     -0.76390040      1.78635046     -3.90215813
  O     -1.44883933     -5.83942052     -3.10513165
  H     -5.74641684     -2.88993333     -2.50915753
  H      1.19121323     -2.07494024      2.15636676
  O     -1.58124634      1.27987544     -3.80587450
  H      4.15816934     -1.58295123     -0.12698041
  H      2.22424617     -3.06316898      1.58661335
  O      2.12759320     -2.31248940      2.18491957
  H      3.61756214     -2.97797673     -0.50886224
  H     -2.47170234     -1.39599564     -2.57568855
  O     -2.95469445     -1.32259118     -1.73810237
  H     -0.10125859     -1.19638469      0.78654314
  H     -2.79880681     -0.43010939     -1.41239747
          69
 Energy    -248.08653768425648     
  O     -3.23582189      1.61909374      4.66313299
  H     -4.18878712      1.56731408      4.52352218
  H     -3.13371565      3.85326479      0.30466975
  O      0.27643782      4.09128342      3.78740642
  H     -2.96352773      2.44167503      4.22524831
  H     -6.43357866      3.30867594      3.42779720
  O     -0.61497138     -0.83404091      1.70575605
  H      0.96093098      4.72742834      3.97539848
  H     -7.45427229      4.37943098      3.87853106
  O     -2.36458562     -0.05825277     -1.96031176
  H      0.59873357      3.53946384      3.05222501
  H      1.30266948      1.54353810      2.39414489
  O     -4.16726310      1.06963429      1.32166833
  H      0.08295138     -0.66637765      2.35076813
  H      0.62830200      2.05370163      1.10451192
  O     -5.84243157      1.63953745      3.45963324
  H     -0.64179962     -0.06636205      1.11567563
  H     -3.05256232      4.67803237      3.23948410
  O     -7.34758915      0.95326529      0.11996118
  H     -2.38242274      0.00914571     -2.91200562
  H     -1.55984180      4.21782192      3.55157233
  O     -2.98730775     -0.69527941      3.11996342
  H     -3.29068349     -0.07407070     -1.66710781
  H     -5.21132644      5.29471870      2.91689558
  O     -4.45639320      5.00731980     -0.18268085
  H     -3.58437304      1.80529502      1.09678582
  H     -4.38894686      5.63880787      1.66537741
  O     -4.92992523     -0.30293815     -0.90544310
  H     -3.68387028      0.44606385      1.88080180
  H     -4.50615139     -1.69993642      2.82048936
  O     -4.54308997     -2.99600487     -0.07497398
  H     -5.29749374      1.56407928      2.66083079
  H     -5.10169225     -2.49994210      1.64531728
  O     -2.53263696      3.22266884      0.72202805
  H     -6.50413566      0.94217567      3.37228160
  H     -0.19786726      2.50162975      4.83655709
  O     -6.73648172      4.21920890      3.27132106
  H     -6.67624279      0.48975367     -0.39370836
  H     -1.36917732      1.54954476      5.16228718
  O      1.12605132      2.34120296      1.87911594
  H     -7.44337663      0.45518570      0.94058121
  H      1.90256254     -0.33900881      4.14465455
  O     -2.46337122      3.92260789      3.38551767
  H     -2.94316312      0.03444163      3.75247609
  H      0.63294207      0.54374024      4.22107105
  O     -4.38307424      5.70071415      2.62835700
  H     -2.11865985     -0.79893670      2.70896548
  H     -8.22787308     -0.97764323      2.95793454
  O     -5.32468631     -2.09785694      2.49343347
  H     -4.61532411      5.56667278     -0.93746918
  H     -6.72668460     -1.10038186      2.60643633
  O     -0.40651203      1.60901369      5.13900729
  H     -5.27556075      4.49958258     -0.03028465
  H     -1.40010887     -1.99494068      0.44843166
  O      1.21764665      0.05666113      3.61281958
  H     -4.93230476     -1.23886612     -0.66694424
  H     -1.94914401     -1.64698519     -0.94708129
  O     -7.47450579     -0.47697058      2.65771669
  H     -4.71994468      0.19246069     -0.09552826
  H     -1.32235209      2.06041153      0.18348826
  O     -1.91945037     -2.34882754     -0.28508180
  H     -3.58026398     -2.85165707     -0.10600266
  H     -1.17192361      0.88504338     -0.79904913
  O     -0.73510337      1.32860163     -0.06250956
  H     -4.70737999     -3.83995296     -0.48696580
  H     -6.86770721      3.85626310      1.36955513
  O     -6.68235595      3.65099038      0.44654291
  H     -2.44633589      3.47819290      1.65166562
  H     -6.94789864      2.73190730      0.30310638
          69
 Energy    -248.08652334552556     
  O     15.72810392     10.54111634     -9.97714370
  H     16.03976403      9.72938897     -9.56079658
  H     14.32864599      7.50758599    -14.06727385
  O     12.88111632      5.57919309    -11.76562287
  H     16.15653898     10.58439221    -10.84462828
  H     16.37149729      5.16643367    -15.74494628
  O     16.51299390     10.64753561    -12.61725859
  H     13.14038209      6.19757070    -11.06738093
  H     15.20323815      5.83149225    -14.95797475
  O     17.45101580      9.49341867    -14.91040366
  H     13.67721959      5.07866744    -11.97713861
  H     17.73869710      7.85573547    -14.07194925
  O     14.91261855     12.91830082    -13.10631219
  H     16.98570306     10.33576816    -13.40144074
  H     17.24042541      6.38749556    -14.10975904
  O     13.85965917      7.53514025    -10.06399033
  H     16.02784923     11.44380708    -12.87151154
  H     14.66200111      8.05758312    -11.75904665
  O     15.01262048      9.24391529    -16.22761187
  H     18.13572348      9.47454089    -15.58929841
  H     15.42098359      9.15868331    -12.58429489
  O     13.53541682     11.14703830    -14.89482747
  H     16.59876168      9.42913849    -15.36700517
  H     12.55266370     10.03666341    -11.13199124
  O     17.20598917      5.37638758    -17.37784262
  H     14.55592313     12.94213807    -12.20208425
  H     13.81176636     10.29430438    -10.23909377
  O     11.41208020      6.88012233    -13.63366303
  H     15.15989397     13.81339935    -13.32525130
  H     15.57729010      3.38460867    -12.24240792
  O     17.06561298      6.34780540    -11.12286824
  H     13.36760582      8.36094420     -9.95928815
  H     15.61932678      4.54556949    -13.25858668
  O     13.94904576      7.07260214    -14.84975313
  H     14.66993952      7.61334864     -9.54612630
  H     13.19021176      9.21631546    -12.85825312
  O     15.97224436      5.24689649    -14.87007810
  H     14.50137748      9.99168410    -15.88466150
  H     11.76643693      8.74131357    -13.16089868
  O     17.91681640      6.96792654    -13.73370606
  H     14.58368366      8.44868996    -15.88354555
  H     16.74871828      7.38029007     -9.77603109
  O     14.80089501      8.42157892    -12.64133764
  H     12.93240637     10.68031317    -14.30223660
  H     16.92557473      7.67729183     -8.26705550
  O     12.85512390     10.14078288    -10.21843106
  H     13.95315954     11.82732211    -14.35424076
  H     19.15473299      6.55812020    -15.13823082
  O     15.39989674      4.31751990    -12.34012606
  H     16.99594557      6.28672013    -17.65528857
  H     18.84869489      5.96345051    -16.52254232
  O     12.27314002      9.52625273    -12.92194415
  H     17.16959945      4.83520687    -18.16193227
  H     17.60696821      8.42637759    -17.83381100
  O     16.44825019      7.95166737     -9.04523821
  H     11.88046178      6.37515590    -12.94308416
  H     16.09029583      8.47064530    -17.55167278
  O     19.50793358      6.47182961    -16.03395769
  H     10.57289503      6.44889506    -13.76801767
  H     13.29666087     12.22968560    -10.34222085
  O     16.77450796      7.97637753    -18.02279750
  H     16.48449084      5.62528728    -11.38582680
  H     14.80305102     12.21901266    -10.13038700
  O     14.08699950     12.75756341    -10.49743565
  H     17.48275166      6.64905662    -11.94086984
  H     20.06573883      9.35962091    -17.37389851
  O     19.26264902      9.00513824    -17.00301734
  H     13.01520709      6.94580191    -14.64774768
  H     19.46791706      8.10664913    -16.68760536
          69
 Energy    -248.08652102732623     
  O     13.66135843      2.74334803    -11.10435319
  H     13.71405427      1.78798114    -10.97648927
  H     13.14304874     10.73226382    -10.20352557
  O     13.01179780      3.17964676    -13.79189091
  H     13.45701516      2.87759037    -12.04175032
  H     14.21611563      7.24366848    -12.46231653
  O     16.43932670      3.20634912    -11.05366395
  H     12.22026754      3.71030290    -13.64073623
  H     13.83481061      5.97690818    -11.65364468
  O     18.23443251      6.13431046    -12.97281119
  H     13.69759217      3.78090968    -14.11581345
  H     11.82601536      5.19554060    -11.44480049
  O     11.90247853      6.95935841    -14.67117048
  H     16.63445041      4.10244143    -10.74692400
  H     12.83400381      4.34470254    -10.63535638
  O     14.16932847      0.61762311    -13.99138620
  H     15.47909148      3.10179688    -11.02020244
  H     17.14608656      0.13905710    -15.03303718
  O     14.16086309     -0.02576963    -11.18033469
  H     17.92443220      6.04487221    -12.06026577
  H     15.89623739      0.69756711    -14.31249842
  O     17.05678809      8.67287359    -12.94649118
  H     18.08501040      5.27299407    -13.37551940
  H      9.99375005      4.91133126    -13.23030867
  O     16.03685007      9.55956522    -10.53585234
  H     12.56184874      6.85700339    -15.36455721
  H     11.24081667      5.70126576    -13.69566547
  O     15.04079076      4.95900265    -14.46846435
  H     12.25908646      7.64226319    -14.08337621
  H     16.03375274      6.14189013    -11.17451462
  O     15.21289564      9.14176360    -15.14012811
  H     14.04410463      0.29322011    -13.09106747
  H     16.64148197      6.38741638     -9.77469181
  O     13.39188686      9.90171553    -10.59875769
  H     13.67990541      1.44914640    -14.04442776
  H     16.99147799      3.40112833    -12.78692306
  O     14.53371397      6.37445709    -12.18924704
  H     15.13022048      0.06461974    -11.22581398
  H     17.23112051      2.58501503    -14.07094676
  O     12.46128846      5.23424048    -10.71799954
  H     13.98046159     -0.81334460    -10.67500527
  H     16.85447180      1.39647763    -11.21604746
  O     16.86656949      0.76148307    -14.36725056
  H     16.54673206      8.81102359    -13.74988313
  H     16.99525419      0.47361062    -12.44055857
  O     10.93794834      4.97913296    -13.11571198
  H     17.52219240      7.83173030    -13.05766849
  H     14.61365413      6.08225529    -15.72188672
  O     16.76217099      5.88475080    -10.58813920
  H     16.22830184      8.91115835     -9.84998188
  H     14.35421735      6.41105069    -17.21096548
  O     17.22609943      3.48487465    -13.72349231
  H     16.46429379      9.25659652    -11.35164716
  H     13.19532468      8.22064823     -9.60876100
  O     16.81306142      0.46970223    -11.49310600
  H     14.90007968      5.48353401    -13.66455663
  H     12.93350991      6.69131482     -9.55371840
  O     14.29608730      6.77316661    -16.33059422
  H     15.84756051      4.44453311    -14.33117134
  H     15.04515444      7.44930815     -8.62158086
  O     13.34333868      7.42617252     -9.08138280
  H     14.93252381      8.34746033    -15.62068653
  H     16.13617240      7.62077567     -7.53771058
  O     16.00536450      7.52492073     -8.47684863
  H     15.41436952      9.80461581    -15.79665359
  H     13.28894759      9.25720812    -12.28518055
  O     13.30957851      8.73630524    -13.09840221
  H     14.36695518      9.85074318    -10.56467052
  H     13.97569039      9.10137540    -13.69423653
          69
 Energy    -248.08649436840295     
  O     12.57348160      9.71293164    -10.24627002
  H     13.40863764      9.24771242    -10.11154985
  H      9.94752645     12.57859624     -9.54820789
  O     11.55514891     11.46020304    -12.09764372
  H     12.23476914      9.96048821     -9.37503784
  H     11.46641284      8.52681928     -7.62882838
  O     14.90541111      8.19746729     -9.83867479
  H     11.94761010     10.79632003    -11.50955715
  H     11.20818904      7.37966693     -8.63630629
  O     13.44923570     15.70663201    -12.40112744
  H     12.28010265     12.00466449    -12.43123886
  H     10.59665031     10.72868111     -7.93539799
  O      8.77711186      9.42643197    -10.48894707
  H     14.77803154      7.85746541     -8.94152097
  H     12.05622025     11.21324826     -7.73158898
  O     13.80097128     12.93017144    -12.70704883
  H     14.55203479      7.53799183    -10.45498612
  H     14.41827595      6.51692093     -6.74556146
  O     15.27940507     15.33472729    -10.19050140
  H     13.30534651     16.47845835    -12.94180550
  H     13.27365963      7.25925684     -7.45602305
  O     10.90648696      7.49621782    -10.59255270
  H     12.76583267     15.71865533    -11.70677736
  H     14.32068039     12.43955325     -9.56105615
  O     11.68930408     15.64157433    -10.32848442
  H      9.36638050      8.66574157    -10.42702439
  H     15.50551127     11.73385466    -10.31928500
  O     14.79499362     10.31587288    -13.24880461
  H      8.81559865      9.71479707    -11.40939726
  H     11.48990326      7.92128187    -13.60401887
  O     13.53335003     15.50987800     -8.11239362
  H     13.68037879     13.88375164    -12.78506648
  H     10.10777766      8.58061464    -13.39540353
  O     10.62056331     13.07130927    -10.03332362
  H     14.22697233     12.78901792    -11.84709720
  H      8.88778239     10.87312553    -13.77164265
  O     11.54399801      7.57115215     -7.75300963
  H     15.36688631     14.37059791    -10.20804295
  H     10.12583610     10.76882548    -12.84711821
  O     11.49825170     10.42415243     -7.76534612
  H     14.80994655     15.56612195    -11.00087934
  H      8.13812787     11.39199640     -8.10671563
  O     14.24143403      7.19416984     -7.39263306
  H     11.49991625      8.25853558    -10.50574858
  H      8.82503829     10.62551985     -9.26555887
  O     15.00223781     12.55279375    -10.23614233
  H     10.69960015      7.43439750    -11.53906018
  H     13.70247917      7.82482160    -14.77834611
  O     10.59123663      7.75195503    -13.29191494
  H     11.18481327     14.82005110    -10.25408880
  H     13.82888127      8.92514351    -13.70512194
  O      9.32338761     10.30418165    -13.14275577
  H     12.19996707     15.71154720     -9.51286285
  H     17.32049640     10.01495065    -10.79406427
  O      8.95352489     11.32178816     -8.59520969
  H     15.40365257     10.25144661    -12.50346149
  H     15.92714013      9.43740017    -10.44243860
  O     13.33870110      8.12091211    -13.94711683
  H     14.48991597     11.23103973    -13.26182858
  H     13.50933895      7.02171889    -12.41329096
  O     16.38572335     10.19600788    -10.84538330
  H     14.22499867     15.52129772     -8.79850203
  H     12.66391385      6.56929665    -11.21039808
  O     13.56115325      6.57226568    -11.55928325
  H     13.80096890     16.13031556     -7.44017922
  H     12.11368320     12.88349871     -8.97173146
  O     12.87467002     12.77635671     -8.38158010
  H     10.87084060     12.53585446    -10.79919630
  H     13.12094711     13.66847287     -8.10687205
          69
 Ord_Energy   -248.086044    
 O   -4.31927633       2.80116582       1.96038651    
 H   -3.66574073       3.49204302       1.89369440    
 H   -4.52111530       2.51772785       1.05026674    
 O   -8.04352951     -0.161558032      -3.10861516    
 H   -8.04897308      0.412562162      -3.87071466    
 H   -7.96162891      0.410408348      -2.32668495    
 O   -4.68536329      -3.82441282       2.29356861    
 H   -5.60496998      -4.11375475       2.29681730    
 H   -4.51207972      -3.39994454       3.14857221    
 O   -7.70478916       1.17351019     -0.755214155    
 H   -7.54204226      0.310694635     -0.339574277    
 H   -8.22185993       1.68200874     -0.119458817    
 O   -6.79848242      -1.85242045       5.96714735    
 H   -7.42232990      -2.22032118       5.31496859    
 H   -7.08817291      -2.14861059       6.82556438    
 O   -7.83301258      -3.79440713     -0.489716828    
 H   -8.48567486      -3.43420935      -1.10716641    
 H   -7.06124210      -4.05768299      -1.01077902    
 O   -4.70752668      -1.25776970       1.23135054    
 H   -4.62052345      -2.16863918       1.54107416    
 H   -4.54422712     -0.673343182       1.98331547    
 O   -9.46443558      -2.45205903      -2.25503802    
 H   -9.01146793      -1.66822231      -2.59905887    
 H   -10.3963413      -2.29904962      -2.39350939    
 O   -7.45643425      -4.56589413       2.11524296    
 H   -7.70511913      -5.48190165       2.22009325    
 H   -7.65377283      -4.33016300       1.19361508    
 O   -9.06026745       2.36363149       1.41746020    
 H   -8.30900097       2.64728260       1.97031891    
 H   -9.73349953       3.03241920       1.50841713    
 O   -6.96163845       2.95365453       3.01509428    
 H   -6.94083595       2.26537991       3.69308472    
 H   -6.06551647       3.00489783       2.66005492    
 O   -8.80949020     -0.260423690       2.56636429    
 H   -8.29336452     -0.657832801       1.84751070    
 H   -9.10168552      0.595368803       2.23368311    
 O   -5.58830976      -4.32268715      -2.02471161    
 H   -5.44769192      -4.89603615      -2.77369189    
 H   -5.57500458      -3.40818477      -2.36453199    
 O   -6.93435144      0.548453212       4.49466181    
 H   -6.88236380     -0.152529478       5.15555573    
 H   -7.58587170      0.253510296       3.84188104    
 O   -5.63248301      -1.76495647      -2.82967687    
 H   -6.40132284      -1.20325720      -2.96213198    
 H   -4.97888374      -1.24600291      -2.33907461    
 O   -4.95681572       1.95886445     -0.525045455    
 H   -5.89048243       1.77075303     -0.675231040    
 H   -4.46368361       1.20368326     -0.875075400    
 O   -3.76395345     -0.463947207      -1.22490811    
 H   -2.96794248     -0.989008248      -1.38822854    
 H   -4.07609272     -0.742310047     -0.349821240    
 O   -1.75456142      -2.33401990      -1.35920990    
 H   -2.26659942      -3.03604436     -0.922566831    
 H  -0.837836862      -2.54916406      -1.21130502    
 O   -7.30454731      -1.21827114      0.491389364    
 H   -6.37442684      -1.21402049      0.762193799    
 H   -7.49201012      -2.08012867      0.104679711    
 O   -4.36291885      0.383803606       3.41878223    
 H   -5.24519682      0.452984840       3.81205916    
 H   -4.19765854       1.22816324       2.98078418    
 O   -3.37688899      -4.23577309     -0.191240355    
 H   -4.13729429      -4.32328320     -0.778725266    
 H   -3.72998118      -4.21460772      0.706890285    
 O   -4.34323359      -2.28120017       4.55189705    
 H   -4.12759495      -1.38479483       4.26765919    
 H   -5.12341166      -2.19404030       5.11356592    
 O   -8.47962284      -2.68624091       4.01290941    
 H   -8.77854824      -1.90672565       3.52754855    
 H   -8.16107941      -3.31760883       3.35641623    
          69
 Energy    -248.08603642523215     
  O     15.96834001      9.81531259    -15.24822988
  H     16.78981138      9.30162675    -15.22049541
  H     13.55966459     11.38293204    -10.27662322
  O     15.56609337      7.56813401     -8.77398072
  H     15.23893720      9.20767252    -15.42926817
  H     18.00796773      5.13769927    -15.32689809
  O     16.83096771     12.40214977    -15.21884472
  H     15.87640106      8.49184430     -8.79564483
  H     18.51582144      3.80186812    -14.73175573
  O     12.99951731      8.47062397     -9.67870868
  H     15.85588689      7.19891481     -7.94455569
  H     15.82738450      7.06451762    -10.52158596
  O     13.93806189      7.99533798    -15.47188532
  H     16.70689856     12.84743080    -16.05278784
  H     15.76420668      7.91762938    -11.81804628
  O     18.35926006      8.51053646    -14.90793719
  H     16.44325896     11.51423612    -15.31220923
  H     18.10679902      7.16229399    -16.17710755
  O     18.31261873      6.70708799    -12.74233029
  H     13.09931745      9.41050261     -9.48259127
  H     16.98355523      6.39031825    -16.92470129
  O     11.78114777      7.71007903    -11.97556733
  H     13.79053110      8.04676576     -9.32627394
  H     15.06160494      5.48619606    -16.50104507
  O     15.98358988     12.83303766    -12.55654477
  H     13.93437868      7.43050093    -14.68564942
  H     14.75643208      5.67061812    -18.00817045
  O     12.43124529      9.82523317    -13.80562908
  H     14.22519522      7.43215781    -16.20172996
  H     14.85960260     10.07293735    -12.23387097
  O     13.65286158     11.48296292    -11.98802489
  H     18.35934213      7.92507936    -14.13896774
  H     15.71848190      9.62445992    -13.44336614
  O     13.59939721     11.22367679     -9.31617222
  H     18.75292345      9.35079472    -14.63059793
  H     18.43477969     11.62644387    -14.45853614
  O     17.98121377      4.56720840    -14.53678010
  H     18.29065550      5.90082150    -13.27219841
  H     18.73641362     11.03698072    -13.07264469
  O     15.89749445      7.01533907    -11.48222642
  H     17.46967041      6.74622306    -12.26571566
  H     18.44405668     10.10652765    -11.19656303
  O     17.89070504      6.32173658    -16.60419962
  H     12.20319699      7.97476370    -11.13876535
  H     17.01977632     10.32488262    -11.76862755
  O     15.07793012      6.12777690    -17.23550906
  H     10.89283118      7.43813037    -11.75958519
  H     13.07831678      6.65979064    -12.81252103
  O     15.59834906      9.50872454    -12.49222163
  H     16.67603306     12.39056870    -12.05405357
  H     14.59124689      6.44322120    -12.58742449
  O     19.02983882     11.02714630    -13.99093095
  H     16.27461335     12.81804746    -13.47793171
  H     20.50585895      8.67062061    -11.32331016
  O     17.76894412     10.78428970    -11.35705376
  H     12.84449743      9.33523655    -14.52519266
  H     19.21474892      7.93482062    -11.71036623
  O     13.87380644      6.29527696    -13.22009952
  H     12.11607863      9.15044085    -13.18968478
  H     15.38889783     10.65793061     -9.04818031
  O     19.55761056      8.69288257    -11.21323822
  H     13.18153565     11.07579002    -12.72923172
  H     16.80600798     10.51769696     -9.66543825
  O     16.22919872     10.18778610     -8.96804142
  H     14.36997159     12.05397128    -12.30341575
  H     14.64048530      5.02149401    -14.34629532
  O     15.12912754      4.54673018    -15.03268843
  H     13.15751901     11.95642943     -8.89598129
  H     16.03952582      4.46567101    -14.72492665
          69
 Energy    -248.08595294976999     
  O     16.21155460     10.13575551    -16.87437598
  H     15.35383647     10.46547999    -16.58333683
  H     21.17969424      9.85536121    -16.72524914
  O     17.28111542     14.13681625    -11.61356951
  H     16.89326390     10.80003606    -16.68468344
  H     17.81238189      8.49332205    -14.49500810
  O     19.56101106      8.57530945    -13.90449212
  H     17.61088197     15.02434547    -11.50622987
  H     16.70278664      9.01608115    -15.47660345
  O     14.68242029      6.73119677    -17.72234446
  H     17.75570013     13.57823471    -10.97118310
  H     12.94479896     11.25435654    -16.28452972
  O     15.98061119     11.16590879     -9.03599460
  H     19.95305897      9.03692656    -14.65622317
  H     13.41504120      9.83598329    -15.87374590
  O     15.09110921      8.43595697    -12.67110893
  H     19.44797159      9.20255846    -13.17551147
  H     16.20742827      8.71050842    -11.20301762
  O     17.35145480     12.07792688    -13.52416608
  H     15.34945874      7.21108943    -18.22704531
  H     16.52149611      9.62457915     -9.99168535
  O     19.68746212      5.84878556    -13.69213875
  H     15.16523139      6.30320481    -17.00297728
  H     13.57581388      7.69821645    -16.65457844
  O     13.81178164      6.21174106    -13.87448041
  H     15.50628560     11.70619608     -9.69259489
  H     13.19207313      7.55523252    -15.17289176
  O     18.70436949      5.07483695    -16.09991432
  H     15.49656075     11.24006469     -8.21814379
  H     17.69178682     11.92760836     -9.48655417
  O     16.09083537      5.86146775    -15.41082437
  H     15.76566860      8.46086031    -13.36932873
  H     18.79381186     11.64871060    -10.52464327
  O     20.32869219      9.72115589    -16.31656945
  H     14.53103941      7.68143829    -12.88200875
  H     18.21061220      9.79053930    -11.44625457
  O     16.88336554      8.41420258    -14.74407050
  H     17.36051162     12.88027622    -12.98675856
  H     18.34926475     10.92819825    -12.50593968
  O     13.66124570     10.78034132    -15.87139601
  H     16.45064551     11.72710921    -13.48604467
  H     15.56586633     13.33372898    -11.20974727
  O     16.90541406      8.96778756    -10.58663243
  H     19.56883303      5.61786749    -12.77405768
  H     14.68635476     12.20186905    -11.78210186
  O     13.12823612      8.15243972    -15.92468908
  H     19.70636416      6.81965720    -13.72165396
  H     18.31009857      7.77394996    -17.99889173
  O     18.43972917     12.33407982     -9.94316717
  H     14.59332862      5.94954773    -14.38968925
  H     18.96199618      6.73814607    -17.05103167
  O     18.85371182     10.32784427    -11.93804155
  H     13.33383968      5.41048797    -13.67619731
  H     14.76199126     10.19591177    -12.98632570
  O     14.86503840     12.71125366    -10.97983137
  H     19.14670099      4.28829011    -16.40845005
  H     14.29856658     11.09829306    -14.15590537
  O     19.09558428      7.59761210    -17.46574195
  H     19.09083304      5.29330981    -15.23306557
  H     19.03308281     11.13474743    -16.15636546
  O     14.73006354     11.11314015    -13.29319062
  H     16.89990204      5.40304535    -15.66336486
  H     18.05584237     11.90279105    -15.21523610
  O     18.26476498     11.71783466    -16.14213355
  H     16.36783518      6.76595954    -15.19332573
  H     16.52601318      9.03908032    -18.18765409
  O     16.74364724      8.35893587    -18.85034780
  H     19.91274335      8.96665082    -16.77281859
  H     16.71856132      8.78689588    -19.70251695
          69
 Energy    -248.08585881788252     
  O     15.06163942     12.02355033    -16.52046759
  H     14.54094262     11.73167942    -15.75117220
  H     17.31651416      8.14653558    -18.50988570
  O     15.44233538      5.82078819    -12.83003417
  H     14.83467205     12.93675099    -16.67349024
  H     15.61853270      7.65646744    -15.45839334
  O     17.08137833      6.42882720    -18.32167554
  H     15.01581993      6.58474751    -12.41848680
  H     16.03135735      6.85960771    -14.19732264
  O     14.65245118      5.19999212    -17.35541257
  H     16.34574934      5.75195400    -12.49189884
  H     14.38099451     11.01898334    -13.66749512
  O     16.76349244     10.91698043     -9.96047313
  H     16.24014208      6.00693480    -18.11408480
  H     13.19035178     10.30679976    -14.33234175
  O     14.24390824      8.18147659    -12.00024686
  H     17.69176272      6.13747568    -17.62956722
  H     18.48604996      6.83045786     -9.00903032
  O     17.92989275      9.47105972    -13.91879024
  H     14.91318259      4.75895530    -16.52741876
  H     17.24042435      7.39778302     -9.72898034
  O     18.10798801      3.62396029    -14.19705089
  H     14.14404715      4.56593223    -17.85451511
  H     11.58969113      8.29541762    -14.37382712
  O     15.72848173      8.26844619     -9.57854963
  H     17.56193075     10.49764448    -10.33214297
  H     13.00605236      8.18465495    -14.98369764
  O     18.41259133      5.83609326    -15.96836957
  H     17.05463757     11.65781473     -9.43665511
  H     19.50218595      6.77621195    -14.73485299
  O     15.37845664      4.05459049    -14.99252147
  H     13.52926307      8.21448398    -12.64852842
  H     19.35591062      8.09474405    -13.95928413
  O     17.42233984      9.11091459    -18.58446307
  H     14.78187377      8.96744122    -12.17405801
  H     18.76581047      6.17207285    -12.79616413
  O     16.37039402      7.43401341    -14.89643514
  H     17.97331324     10.04978034    -14.69592403
  H     18.21356937      5.97169196    -11.36185840
  O     13.71198175     11.11592364    -14.36021342
  H     17.38787825      8.71509634    -14.19473084
  H     18.59491235      9.50298452    -12.11404112
  O     18.12498410      7.01713986     -9.87193657
  H     18.15498688      4.21971784    -13.43081050
  H     18.70184070      8.64228040    -10.82826303
  O     12.50785086      8.49237418    -14.20645553
  H     18.68108748      2.88618003    -14.00374337
  H     14.73887370     10.54808799    -17.63559799
  O     19.72433892      7.20667668    -13.89756506
  H     15.95907880      9.20632505     -9.56918282
  H     15.59886678      9.51418466    -18.38114428
  O     18.19188790      5.60679821    -12.25520722
  H     15.06983425      8.16245857    -10.27639165
  H     16.48840572     10.24063316    -13.01381496
  O     18.75794794      9.54492924    -11.16341241
  H     17.67847616      6.38116701    -15.64099579
  H     15.99653004     10.79970268    -11.64755652
  O     14.69525106      9.69930805    -18.09438059
  H     18.35784937      4.99416514    -15.50086574
  H     17.66118456     10.21515471    -17.02712518
  O     15.70321692     10.51194272    -12.52081878
  H     16.26687368      3.71683782    -14.83188304
  H     16.81919150     11.29683406    -16.32973387
  O     17.64785584     10.80604594    -16.26383801
  H     15.18536581      4.59704861    -14.21525516
  H     14.11969769      6.86971551    -16.76856483
  O     14.00120512      7.73460302    -16.35710221
  H     17.93777160      9.26453160    -19.37235926
  H     14.17983912      8.42010543    -17.02010931
          69
 Energy    -248.08585249369111     
  O      1.43400825     -1.63297593      5.01619463
  H      0.54823330     -1.93639639      5.28088971
  H     -5.09843311     -0.84481901      3.22647028
  O      1.98303289     -0.08381680     -2.71349964
  H      2.03114325     -1.88795688      5.71569029
  H     -1.38568849      3.13520917      2.28298294
  O     -1.13625476     -2.23402796      5.72455233
  H      1.80666137     -1.03319329     -2.73436412
  H     -2.36867771      3.21932670      1.11583359
  O     -0.19945098      0.71115990     -1.02821378
  H      1.20041815      0.31741420     -2.31480272
  H     -2.07763988     -0.06666977      3.86106872
  O      1.49174768     -2.87560019     -2.25635889
  H     -1.65607625     -1.44716151      5.49694469
  H     -2.94971665      0.83395878      4.74697965
  O      3.11284960     -2.51550035     -0.10828258
  H     -1.76837341     -2.92077264      5.92160870
  H      0.85996032      1.77082020      2.00556579
  O     -3.87347758      2.19957417      4.08584089
  H      0.45591087      0.71801324     -0.31687222
  H      0.31759090      1.88660407      3.46186437
  O     -3.62820203     -3.43043709      1.83432281
  H     -0.53606545     -0.19484616     -1.08489416
  H     -2.31690836      3.06808903     -1.50705312
  O      0.32937320      1.04255780      5.04734084
  H      1.75346230     -3.64419883     -2.75587594
  H     -1.50915617      1.91176698     -0.87878133
  O      3.92682427      0.14781989     -0.81965629
  H      2.07925941     -2.82903099     -1.48052227
  H     -1.05300203      0.80372915      2.19160080
  O     -5.77759104      0.73624183      2.47282570
  H      3.55190304     -1.67454958     -0.28679887
  H     -2.42380656      0.29761771      1.63069647
  O     -4.53258567     -1.54538231      3.57741706
  H      2.68693776     -2.41754486      0.75371663
  H     -0.15879434     -2.37684263     -1.57855243
  O     -2.29958562      3.36784807      2.06400029
  H     -4.63223455      1.82867891      3.62161467
  H     -0.86883680     -2.25690977     -0.19970881
  O     -2.41102111      0.02752553      4.76748990
  H     -3.36559951      2.68589137      3.41902514
  H      1.67271855     -1.82946110      3.17796699
  O      0.16130367      2.16171488      2.54573286
  H     -3.97993268     -2.78026957      2.46797748
  H      0.75154169     -2.25891201      2.01121357
  O     -2.28139931      2.48819140     -0.75058328
  H     -4.11957228     -4.23653395      1.96816988
  H      2.60193030      0.56389685      0.43064061
  O     -1.63636037      0.03666797      2.12497886
  H      0.80332364      0.20262176      5.06158913
  H      1.73301205     -0.24896436      1.42612392
  O     -0.91577338     -1.98336920     -1.12760276
  H     -0.59802375      0.82281146      5.19068835
  H     -1.17932298     -1.60539786      1.79596381
  O      1.62976079     -1.90619506      2.21724170
  H      4.71607313      0.58892198     -1.12086153
  H     -1.79701214     -3.01969003      1.73106006
  O      1.79445625      0.59537245      0.95733974
  H      3.31050531      0.12114922     -1.57359434
  H     -3.73238575     -2.46835608      0.14998323
  O     -0.97448694     -2.53508809      1.59654913
  H     -5.15085271      0.74404651      1.72748407
  H     -2.79130839     -1.95743997     -0.96202161
  O     -3.68410352     -1.86630464     -0.60275936
  H     -6.62423254      1.00147109      2.12385270
  H     -3.88078202     -0.23446227      0.03418163
  O     -3.89992953      0.60808736      0.51421019
  H     -3.87657729     -1.08808993      4.11445792
  H     -3.45954160      1.28031774     -0.01970004
          69
 Energy    -248.08580297136032     
  O     -7.75348313      1.51299152      0.33388873
  H     -8.68641443      1.61257373      0.51034158
  H     -3.32653443     -1.20129144      2.79973126
  O     -6.23872409      1.47690442      2.57165293
  H     -7.29975931      1.56461319      1.19491766
  H     -0.95330384      1.60000383      2.81209248
  O     -3.05052895     -1.49218720      1.04235585
  H     -6.29687584      0.61788016      3.00730889
  H     -1.09030121      2.44331095      1.53474492
  O     -1.05174533      0.34864398     -2.30003168
  H     -5.69281013      2.06514472      3.11294313
  H     -3.02754794      4.03017426      1.02221747
  O     -4.31543295      2.16052101     -1.91280846
  H     -3.54193062     -1.90214615      0.32065358
  H     -2.98993834      2.50392459      0.79635841
  O     -4.73433440     -2.29437580     -1.05991579
  H     -2.14757897     -1.30934854      0.74542719
  H      1.29408482     -0.52831176     -0.04827868
  O     -3.70238684     -0.46836432     -2.74144691
  H     -1.27906214      1.28214097     -2.17578159
  H      2.26724410      0.64421373      0.11812618
  O     -1.62132448      3.03846666     -1.84610001
  H     -0.16131874      0.32670089     -2.67124578
  H      2.50787773      2.87820817      1.48612426
  O     -0.59833788     -0.49487372      0.31183023
  H     -3.44622438      2.55492671     -2.06552464
  H      1.12491827      2.20200632      1.35812398
  O      1.69365031      0.49724383     -2.93016616
  H     -4.27794729      1.73857329     -1.03971102
  H     -1.94153352      1.36737677      5.11677296
  O     -6.39736549     -1.21244736      3.32720877
  H     -4.39176790     -1.65456672     -1.71005065
  H     -2.68837863      0.56848063      4.02771625
  O     -3.59008424     -0.86714617      3.66974130
  H     -4.84784883     -3.12077363     -1.52172861
  H     -7.09416938     -0.39810328      0.30804433
  O     -0.50719770      1.81141193      1.98238347
  H     -4.08183503      0.41472740     -2.64992176
  H     -6.13346596     -1.57873782      0.00215231
  O     -2.43888385      3.30378190      0.78724111
  H     -2.74646826     -0.33475071     -2.69124341
  H     -4.81671696      1.21617859      1.31547175
  O      2.15530943     -0.19955712     -0.33837073
  H     -1.86856098      3.23556875     -0.93156351
  H     -3.73476717      0.21695802      0.82114774
  O      1.95872753      2.37464035      0.89024293
  H     -0.66924435      3.20574723     -1.91066810
  H     -4.76027040      5.87162384      1.54064988
  O     -2.17299475      1.37908611      4.19104214
  H     -0.78363470     -0.19272702     -0.59023399
  H     -5.14102984      4.53879391      0.85672746
  O     -6.78803592     -1.25253151      0.63170704
  H     -0.58098400      0.28308322      0.88534708
  H     -6.74132333      3.05828585     -0.20980197
  O     -4.08126968      1.10922242      0.70082850
  H      2.32410967      0.14060711     -3.54947539
  H     -5.51337909      3.34333245     -1.07727778
  O     -4.55036823      4.94194790      1.51835636
  H      1.95315908      0.18015319     -2.04658144
  H     -3.61952195      2.68463032      3.84147696
  O     -6.07652462      3.73182692     -0.39417831
  H     -7.03579123     -1.76937245      3.76394885
  H     -4.39134244      3.81064670      3.08741193
  O     -4.46695582      3.14050589      3.77820278
  H     -6.53556449     -1.32396398      2.36887015
  H      1.45092840      2.94495857     -0.89661358
  O      1.13239489      3.08967028     -1.79571016
  H     -4.53847346     -1.02957858      3.71831641
  H      1.40857204      2.31166713     -2.29579975
          69
 Energy    -248.08576560186233     
  O      4.99369685     -6.66763879     -1.76237238
  H      4.97860523     -5.76624316     -1.42032232
  H      4.28109245     -4.41746851      0.41345513
  O      1.49166765     -8.66407434     -3.81642929
  H      4.52744866     -7.19723431     -1.10056610
  H      0.90664500     -5.62018712     -4.19308217
  O     -0.95106322     -7.80663986     -0.04195969
  H      2.33259597     -8.21888636     -3.97072426
  H      2.45588698     -5.65140281     -4.08571872
  O      0.68819844     -2.69726971     -2.87459141
  H      0.79570727     -8.01181710     -3.99100087
  H      1.78511272     -6.68507098      2.49367777
  O      3.78207336     -7.01898489     -4.17131567
  H     -1.68521379     -8.43366969     -0.07358374
  H      2.58737106     -7.53889337      3.50386510
  O     -1.61442281     -3.32155368     -1.60043343
  H     -0.18683485     -8.27052373     -0.41272069
  H     -0.69754949    -11.19954316     -2.67279089
  O     -0.44914078     -6.77059905     -4.36047524
  H      1.09190956     -3.44440519     -3.33714621
  H     -0.06381774    -10.66167240     -1.38347637
  O     -0.10311855    -10.85857471     -4.47234945
  H      1.31734155     -2.41882714     -2.19828147
  H     -3.40506068     -8.83548255     -2.12175832
  O      1.17138025     -9.29584683     -1.11540550
  H      4.44560936     -7.07825136     -4.85392769
  H     -3.09211264     -7.42611393     -2.63568077
  O      0.27568959     -3.83614526      0.39985803
  H      4.25747592     -6.91215960     -3.32891491
  H      2.60575442     -7.07804558     -0.36216244
  O     -1.82199024     -6.09681223     -2.07419926
  H     -0.84586055     -3.05969696     -2.14007757
  H      3.09318058     -7.61694424      1.00441388
  O      4.09598734     -4.22817940     -0.51952327
  H     -2.30661592     -2.68962999     -1.77454270
  H     -3.43161481    -10.40093886     -0.06560130
  O      1.67680153     -5.12332849     -3.87555517
  H     -0.93273216     -6.50656307     -3.56402153
  H     -2.18312867    -10.37762931     -0.97974026
  O      2.68304446     -6.97390987      2.74214851
  H     -1.01334930     -7.40597428     -4.82540252
  H      1.66021696     -5.50557300     -2.06713453
  O     -0.81739437    -11.16956022     -1.71626380
  H      0.54469110    -10.15401990     -4.30912659
  H      1.16469953     -5.14303669     -0.62853770
  O     -3.50710898     -8.26045164     -2.88902806
  H      0.30136934    -11.46158278     -5.09176291
  H     -1.53555205     -9.61264288     -5.02291357
  O      3.14279781     -7.77333009      0.05491601
  H      1.93859083     -8.95541225     -0.63828585
  H     -2.65166315     -8.70633969     -4.45220780
  O     -2.85949033     -9.81787400     -0.55673363
  H      1.30518346     -9.07321858     -2.04735611
  H      3.83915139     -5.58204789      2.41528532
  O      1.78496859     -5.68817292     -1.12743363
  H     -0.48010131     -3.61997494     -0.16257748
  H      5.11886550     -4.82632656      2.80435965
  O     -2.04353076     -8.81401669     -5.20034064
  H      0.95064615     -3.16956817      0.22074476
  H      3.06703361     -2.76262319     -0.58225224
  O      4.43748911     -4.87240004      2.13775249
  H     -1.83156491     -5.15734506     -1.86094919
  H      2.71947706     -1.28038726     -0.31909681
  O      2.34351353     -2.11410495     -0.58986554
  H     -1.48625151     -6.58528955     -1.30969468
  H     -0.23621585     -6.77356902      1.32190615
  O      0.24535594     -6.19367185      1.92741859
  H      3.33482360     -4.77499777     -0.76680261
  H      0.19232668     -5.30522978      1.55238654
          69
 Energy    -248.08574254521903     
  O     15.65865897     10.94470281    -15.57141805
  H     16.07062305     10.76384974    -16.42279439
  H     18.71791541      4.78913287    -15.55667650
  O     13.30428957      6.08527572    -15.14178157
  H     16.37880200     11.00139605    -14.93209789
  H     18.15635656      9.08286674    -17.47680119
  O     17.67254611      6.41212491    -11.85845781
  H     12.84391568      6.63602666    -15.78678704
  H     18.89062770      7.70848802    -17.59809648
  O     18.92694063      6.06202115    -18.43428426
  H     13.52994794      6.68214359    -14.41287593
  H     16.82121848      6.29394944    -15.38503654
  O     16.24553345      5.56844261    -18.59996819
  H     18.52706618      6.39319546    -12.30446852
  H     17.47410131      7.60368160    -15.93352235
  O     13.38084449      6.28452389    -10.71473994
  H     17.20661402      7.18414780    -12.21015513
  H     13.28391626      9.24800394    -14.24793515
  O     16.36802767      8.49852394    -13.09130081
  H     17.98564177      5.82565324    -18.50915037
  H     14.02233211     10.23072932    -15.20126376
  O     16.99508424      4.44990255    -15.20531544
  H     19.34899607      5.75722718    -19.23315337
  H     12.60195193      8.74994293    -16.26825334
  O     13.62453726      4.37392424    -12.85000355
  H     15.81712925      6.42446891    -18.46244390
  H     11.54565028      8.31471164    -17.31825970
  O     19.66062312      9.15613008    -14.48261677
  H     15.72807137      4.95371447    -18.06792659
  H     19.92558762      6.04977853    -14.26012139
  O     14.62324980      4.17748847    -16.66024962
  H     12.80723861      6.32161037     -9.95385228
  H     20.91169748      6.25199783    -13.09012684
  O     19.57254574      5.20565132    -15.74648559
  H     14.25643402      6.01218944    -10.39051622
  H     16.75435722      4.81881942    -12.33809412
  O     18.73943032      8.46505536    -17.01648372
  H     16.46938657      8.09415333    -13.96836236
  H     15.41073868      4.08760959    -12.67558093
  O     16.68770450      7.24340605    -15.50222928
  H     16.78418016      9.36674142    -13.13438375
  H     16.57551659      5.86998344    -10.42509581
  O     13.18092803      9.77567474    -15.04978336
  H     16.81976386      4.16993523    -14.29515126
  H     15.92980982      4.49552474    -10.43016259
  O     12.37717323      8.06420766    -16.92748732
  H     16.22435349      4.21083746    -15.73210741
  H     14.12429018      7.98396341    -17.51128636
  O     20.05818703      6.52326895    -13.41975636
  H     13.37573207      4.84152960    -13.65564146
  H     15.49915015      7.69168434    -16.83365212
  O     16.36948069      3.96709065    -12.59028442
  H     13.38826352      4.96079306    -12.12078539
  H     13.51847069      7.42542929    -12.19489107
  O     15.86728753      5.35773845    -10.00809825
  H     19.48438494      8.95852478    -15.41310827
  H     14.65227748      8.14091155    -12.97273743
  O     15.07426667      7.93772067    -17.67047079
  H     19.83023481      8.30805275    -14.05616976
  H     18.49652811     10.30039200    -13.91640526
  O     13.72220273      7.87240762    -13.02426051
  H     14.16755316      4.85623977    -16.13510799
  H     18.13584501     11.57812531    -13.11878656
  O     17.75679720     10.86177946    -13.62014554
  H     14.05429984      3.41115800    -16.66594535
  H     16.06603930      9.34064916    -18.07524584
  O     16.71722577     10.06182459    -18.13371593
  H     19.52205290      5.46740510    -16.67116861
  H     16.53405505     10.53791985    -18.93950510
          69
 Energy    -248.08570063359784     
  O     10.58449452     10.10885954    -14.85338901
  H     10.98591195     10.04791264    -15.72815074
  H     16.47688618      6.53880367    -14.23011308
  O     15.17682399      8.29948819    -11.10217381
  H     10.76622493      9.28423832    -14.38671877
  H     18.59675585      7.22548074    -15.70668415
  O     16.80198584     11.28516042    -14.49775733
  H     15.51513033      7.75187661    -11.82099331
  H     18.87761280      8.48285282    -14.86828177
  O     11.77122187     10.21394106    -17.46842980
  H     15.80287698      9.02471707    -11.00398955
  H     17.10799226     11.27519970    -11.27445431
  O     14.13044572     10.76146414    -13.88166340
  H     17.27079185     10.49433907    -14.19442807
  H     17.55950811     10.49784439    -10.02120556
  O     14.29534107     13.84805845    -12.28861040
  H     16.55320908     11.14991342    -15.42229431
  H     16.74085686     10.32334693    -17.47505278
  O     12.44190058      8.81839067    -11.12617213
  H     12.36045119     10.98867496    -17.41390646
  H     15.29645659      9.97734307    -17.04937891
  O     13.02981195     13.22932918    -14.67460822
  H     11.21318154     10.34760599    -18.23029649
  H     10.55074762     11.56949532    -13.95626938
  O     16.28236990      7.09464945    -17.88067785
  H     13.69299417     11.53142852    -14.26896449
  H      9.74746936     12.75111128    -13.35686543
  O     12.66816866     11.58900022    -11.62797663
  H     15.07686744     10.90337972    -14.00469231
  H     11.60638854      8.15028575    -12.46501316
  O     17.30578590      5.79654022    -15.73170216
  H     13.75815638     13.17765524    -11.84513561
  H     10.64482853      7.07974526    -13.03817568
  O     16.08743482      7.10287940    -13.55080938
  H     15.20839339     13.55331755    -12.20108297
  H     14.44800807     11.90653441    -17.22080475
  O     19.04946898      8.07820677    -15.72808819
  H     12.41148057      9.78180744    -11.08807804
  H     13.41162125     12.72654920    -16.40130406
  O     17.22680090     10.38551703    -10.90930956
  H     13.37772654      8.57885961    -11.05380813
  H     17.90903131      9.45090530    -12.43346475
  O     15.95439852     10.68756610    -17.04893433
  H     13.52622575     13.60427557    -13.93187533
  H     17.32633460      8.37820816    -13.38903735
  O     10.62818204     12.39959791    -13.45065336
  H     12.13160535     13.08074156    -14.35117166
  H     16.95884800     12.39266981    -13.14441482
  O     11.21514610      7.80089746    -13.28815201
  H     16.91154457      7.79346668    -18.09581962
  H     17.66153361     13.52399118    -12.35799571
  O     13.54413711     12.24316404    -17.22902874
  H     15.43565410      7.53761435    -17.73058369
  H     13.24088322      9.05772306    -17.38806553
  O     17.98611013      9.08670540    -13.32258934
  H     11.88278195     11.89029958    -12.10427707
  H     13.93796242      8.34095233    -16.21339923
  O     17.00686303     12.83387348    -12.27782383
  H     13.24151952     11.18957270    -12.30074413
  H     18.89896065      9.41763902    -18.61177362
  O     14.05571478      8.60675659    -17.13768595
  H     16.89170098      6.19150826    -16.52026616
  H     18.55641353      8.89408740    -17.19638812
  O     18.17453254      9.26974922    -18.01002870
  H     17.48128422      4.88313041    -15.94091014
  H     13.81836074      9.06042863    -14.22536274
  O     13.70596665      8.12738742    -14.46882275
  H     15.23304303      7.40470593    -13.89444359
  H     12.85458950      7.85083570    -14.11029528
          69
 Energy    -248.08567049067324     
  O      1.57247194      0.84642857      3.82047650
  H      2.38564810      1.13633882      4.22608124
  H     -4.05501509     -1.29471154      4.46673651
  O     -0.55662895     -1.86133764     -3.10552355
  H      1.01325253      0.48922115      4.53532722
  H     -2.58657514      2.13583188      5.64491107
  O     -0.07966433     -0.08613057      5.73228534
  H     -0.49058436     -2.72024680     -2.66937882
  H     -3.08873024      0.68644584      5.74736076
  O     -2.07862686     -0.48579007     -1.11676740
  H     -1.23106445     -1.36945390     -2.61945257
  H     -1.90239139      2.40756927      0.30110749
  O     -0.13964892     -4.15545738     -1.40915310
  H     -0.87719203      0.44159421      5.90589834
  H     -0.42782852      2.03094917      0.05655461
  O      1.94154700     -2.69242203     -0.46523754
  H     -0.27719267     -0.96855554      6.03629369
  H     -3.03466551      0.77213803      1.24952958
  O     -4.76873373      2.81949765      2.41007286
  H     -1.20250396     -0.16081535     -0.85921527
  H     -4.04865533      1.90085841      1.02897270
  O     -3.61453008     -2.89865292      3.76717671
  H     -2.71464930      0.13438457     -0.74108260
  H     -1.65310492      0.95715598      2.97040548
  O     -0.61073749      2.51115597      3.10948135
  H      0.14841475     -5.03711085     -1.62920843
  H     -2.87620290      0.09791716      3.43049397
  O      1.83687343     -0.69442157     -2.52525545
  H      0.62937129     -3.69532340     -1.02667793
  H     -1.59249513     -3.52929671     -0.48220942
  O     -6.41755295      0.67760383      3.41839819
  H      2.09304712     -2.03267837     -1.15355710
  H     -2.24988741     -2.12252938     -0.41292274
  O     -4.13676068     -0.35483973      4.68685738
  H      1.84956445     -2.20171660      0.36178087
  H      0.49812255     -1.58117741      2.06851124
  O     -2.41336844      1.29472752      6.08186785
  H     -4.15450238      3.10822916      3.09605691
  H      1.47804504     -0.44406154      2.46353276
  O     -0.99986317      2.71897690      0.42673259
  H     -5.38946693      2.21801405      2.83919721
  H     -2.65398862      4.49907454      4.59988668
  O     -3.54733589      1.21904009      0.55590655
  H     -2.68976960     -2.85747853      3.49390563
  H     -1.96196451      3.28588179      3.93980630
  O     -2.21189815      0.20676902      2.73578856
  H     -4.10548424     -3.08681348      2.95799288
  H      0.99503446      0.22338496     -1.13816117
  O     -2.26407393     -3.00975872     -0.02302064
  H      0.22183385      2.06717278      3.30348218
  H      0.72493583     -0.02831687      0.37231924
  O      1.26603219     -1.07456713      1.76498228
  H     -0.65895991      2.67895322      2.15450452
  H     -1.47011110     -2.62062668      1.61196997
  O     -2.78288921      3.58167669      4.37014828
  H      1.00980827     -1.09038979     -2.85413207
  H     -1.49466974     -1.39446917      2.56141938
  O      0.43116073      0.47803870     -0.39774102
  H      2.33560351     -0.41715131     -3.28854899
  H     -3.87310913     -3.24189663      0.68261197
  O     -1.12454026     -2.28618677      2.45023608
  H     -6.26557297      0.19012496      2.58829989
  H     -5.21366289     -4.00256302      0.79736254
  O     -4.73039146     -3.25456914      1.14025552
  H     -7.35894494      0.68416703      3.56793936
  H     -5.02747317     -0.03324424      0.77210971
  O     -5.73100447     -0.58844856      1.12815203
  H     -4.98096377     -0.03486316      4.34610437
  H     -5.41204197     -1.49864985      1.10280504
          69
 Energy    -248.08553627511930     
  O     15.45463318     11.81883090    -15.50824911
  H     16.32713080     11.92980409    -15.11373993
  H     17.56046582      9.34808178    -16.77886849
  O     18.50763858      7.69205323    -11.86577971
  H     15.58530348     11.65429198    -16.45051061
  H     16.81248630      8.93207729    -14.60519301
  O     18.50200584      7.21192472    -18.44557682
  H     18.00716066      6.99697347    -12.31974236
  H     15.74019550      8.37266950    -15.58619151
  O     16.04154152      6.48095810    -19.30511421
  H     18.27778012      7.60558286    -10.93269203
  H     14.06685500     11.07125829    -14.81070079
  O     14.75088315      7.84319786     -9.84995846
  H     18.64808192      6.77313422    -17.60089179
  H     12.54064339     11.16863919    -14.56915329
  O     14.34449351      6.69332599    -13.24626503
  H     18.46099363      8.15845490    -18.24508810
  H     16.88882379      5.46511194    -10.06610137
  O     17.00257686      9.72680665    -12.96043828
  H     16.06087766      6.20573881    -20.21809595
  H     16.78248141      4.91830283    -11.50062402
  O     18.10340907      6.15113698    -15.73308585
  H     16.94876230      6.75310262    -19.07495604
  H     13.93833213      7.46264266    -14.89728134
  O     13.84298164      5.28935117    -10.85758655
  H     14.56526528      8.46135224    -10.56943662
  H     13.58547833      8.93152178    -15.25929140
  O     19.78464042     10.43208725    -15.43044394
  H     14.30944509      7.01961175    -10.08984752
  H     19.57771085      7.16304736    -14.79213956
  O     16.09708363      4.79710681    -17.04646612
  H     14.03304299      6.12776582    -12.52843762
  H     19.68776000      7.80798242    -13.39856270
  O     18.02705082      9.78408742    -17.51043486
  H     14.38191898      7.59008480    -12.87969759
  H     17.42449572      5.71093341    -14.03444937
  O     16.68832031      8.48946646    -15.45457606
  H     17.64549075      9.14026504    -12.53900908
  H     16.10635077      6.08343381    -13.29607540
  O     13.29209543     10.59170189    -14.46368787
  H     17.43302978     10.54661906    -13.23221278
  H     17.56646671      7.39526037     -8.42674358
  O     16.49446860      4.75772224    -10.59085964
  H     17.63015038      6.99534538    -15.63805870
  H     16.43505540      7.50652683     -9.47553404
  O     13.90186878      8.09466073    -15.62775203
  H     17.48732662      5.55107080    -16.18048479
  H     15.38509485     11.64701516    -19.02037049
  O     20.00509280      7.87738556    -14.30757951
  H     13.28028482      4.61718869    -10.48360564
  H     15.23365383     10.27529193    -18.31926606
  O     17.00276629      5.74287944    -13.16841964
  H     14.76224223      4.99819867    -10.71715313
  H     13.90886453      9.80220621    -12.86552958
  O     17.35407220      7.21447386     -9.33845696
  H     19.34921647     10.26432025    -16.27654565
  H     15.35833551      9.50374642    -12.42142779
  O     15.68335144     11.13868532    -18.27120120
  H     19.96140566      9.56516297    -15.03782630
  H     18.42677358     12.81527619    -13.88250533
  O     14.42934352      9.29262758    -12.23432355
  H     15.23498822      4.47005316    -16.79963357
  H     18.70946177     11.49127757    -14.63434552
  O     18.01802606     12.00700796    -14.17882759
  H     15.96729131      5.31389747    -17.85541409
  H     14.19174854      8.39720256    -17.44244895
  O     14.52784691      8.68379452    -18.30179617
  H     17.37149648     10.35934286    -17.91968767
  H     15.00131858      7.93073177    -18.67523225
          69
 Energy    -248.08526348751445     
  O      0.27189566      1.50729761      2.52989142
  H      0.93944112      1.00483718      2.03986377
  H     -2.19063592      2.46441569      6.77602009
  O     -2.70047436     -1.08435101     -3.44248214
  H     -0.58765119      1.09810481      2.33908427
  H      0.23263617      2.76102760      1.01776854
  O     -0.32491772      0.02201050      4.97935097
  H     -2.42825319     -1.61514990     -4.18715153
  H     -0.64792835      3.49749075     -0.02415059
  O     -4.46882922     -0.95289220     -1.28093884
  H     -1.88475693     -0.81521714     -2.99360261
  H     -3.40403351      0.41629457     -0.83343681
  O      0.46548109     -2.23715164     -0.09567075
  H      0.05716283      0.49870700      4.23419110
  H     -1.88485208      0.65168870     -1.00967674
  O     -3.23943157      3.85601319      2.22458227
  H     -0.91274330      0.64877414      5.41912852
  H     -2.77629951      0.47947687      2.69403813
  O     -4.02199710     -1.99775203      4.46322781
  H     -4.01520302     -1.04705921     -2.12901010
  H     -2.46433232      0.61620779      1.15311704
  O     -0.52002261     -0.26271128     -1.84651188
  H     -4.20305570     -1.71304792     -0.73785811
  H     -2.91828803     -2.86523878      0.92014452
  O     -5.57337370      2.21157043      2.46822293
  H      0.78132513     -3.11269497     -0.30341944
  H     -4.44345899     -2.93561974      1.10118522
  O     -3.88125534      0.74856819      4.14409766
  H     -0.18160841     -2.33600868      0.62388897
  H      1.51999356     -0.79038691      0.60492486
  O     -2.46572218      3.72935836     -0.49305819
  H     -4.05358876      3.34140990      2.26819198
  H      1.96269867      0.56027528      0.03051327
  O     -2.15013556      2.01298833      5.93819526
  H     -3.01571187      3.92343216      1.28858418
  H     -1.86853940      3.70791968      3.36628532
  O      0.24951348      3.19279376      0.15595940
  H     -3.10566371     -2.26591932      4.58900198
  H     -0.51468518      2.96118443      3.50156186
  O     -2.68476063      1.02479498     -0.61497465
  H     -4.01526297     -1.02937298      4.43930930
  H      2.20979224      2.07361104     -2.06703904
  O     -2.13027065      0.29680636      2.00056129
  H     -0.21702838     -0.98835583     -1.28454045
  H      1.10658339      2.24083937     -0.99331093
  O     -3.74497963     -2.97136357      0.43457003
  H      0.20216326      0.37821900     -1.88224079
  H     -0.86216263     -1.63125246      4.80396049
  O      1.90875956      0.05724001      0.85216191
  H     -5.69079908      1.43292300      1.89412065
  H     -0.76728489     -3.08629943      5.31637022
  O     -1.14111234      3.51708171      3.97940391
  H     -6.43698920      2.60049865      2.57884829
  H     -1.67220247     -1.39881116      1.90142274
  O      1.55498262      1.59328103     -1.56838411
  H     -4.52407926      1.33077168      3.72061225
  H     -1.26454817     -2.57642699      2.80887691
  O     -1.19906380     -2.53531079      4.66925612
  H     -3.38464942      1.25195990      4.80228710
  H     -6.42629596     -3.06691187      2.72747744
  O     -1.37776076     -2.32356950      1.88544174
  H     -2.61871675      2.77300083     -0.58997582
  H     -5.11825328     -2.37943007      3.18451863
  O     -5.71282642     -2.51194535      2.42463493
  H     -2.83686398      4.14906881     -1.26468137
  H     -5.87597942     -0.85587348      1.52157123
  O     -5.86335192     -0.03947626      1.00583971
  H     -1.77630120      2.64231847      5.29234722
  H     -5.53201341     -0.28614936      0.13365696
          69
 Energy    -248.08517783384238     
  O     -3.54633760      1.12046047      0.98433143
  H     -4.09194969      1.76325335      0.53807334
  H     -0.00175788     -5.95132879      1.00541255
  O      0.82159343      1.00340824      2.93859329
  H     -3.84954662      0.24454254      0.68296389
  H      2.06288174     -1.77249909      4.20443829
  O     -3.92237479      0.30032249      3.70565584
  H      1.38587850      0.22060201      3.07768321
  H      2.12463451     -1.88960167      2.66705514
  O      1.56525185     -2.82419329      5.74523236
  H      1.30928836      1.75593252      3.26154990
  H     -1.34446055     -2.20413148      0.74221624
  O     -3.67770454     -3.35500224      6.45180394
  H     -3.93659071      0.68715422      2.82289857
  H     -0.09226360     -2.61721666      1.57321277
  O     -1.10037828     -2.23051651      5.90026788
  H     -3.00224437      0.02644268      3.82488331
  H     -3.48846971     -4.28882777      2.07953908
  O      0.89554705     -5.34206888      4.55684615
  H      2.01649481     -2.72267921      6.58012577
  H     -2.02507210     -3.77697465      2.05943655
  O     -5.07209266     -2.15402384      4.21014780
  H      0.63809498     -2.57385198      5.89737651
  H      1.72016693     -2.93770111      0.43043603
  O     -0.72259705      1.05321925      0.51724119
  H     -4.07460602     -3.78419009      7.20602279
  H      1.71906257     -4.03114329      1.54940054
  O      1.59520704     -5.83403970      1.99808068
  H     -3.20243036     -4.04390006      5.95860989
  H     -5.14693632     -2.99840123      2.73120070
  O     -0.65143872     -4.52703296     -1.82857548
  H     -1.19863179     -1.60281075      5.16588977
  H     -5.99258633     -3.85232434      1.75453969
  O     -0.81757531     -5.88634494      0.49394711
  H     -1.97097346     -2.35910243      6.29089582
  H      0.84037605     -3.34253119     -1.58035371
  O      2.21209615     -1.26337537      3.40030730
  H     -0.05401523     -5.35657846      4.72975995
  H      1.09001440     -1.82248037     -1.48273387
  O     -1.02522151     -2.37062598      1.63782876
  H      1.23119666     -4.53455193      4.96478364
  H     -0.60896411      0.04758586      3.58462443
  O     -2.57519156     -4.55366737      2.24635813
  H     -4.66796426     -2.48326491      5.01849172
  H     -1.26879560     -1.21519976      2.97967835
  O      1.65553444     -3.08273618      1.38656763
  H     -4.74799015     -1.25001921      4.07564559
  H     -0.20641574      0.24707754     -0.90463241
  O     -5.12660416     -3.47388642      1.87941878
  H     -0.20865816      1.06502711      1.33256495
  H      0.12392262      0.37042887     -2.41060277
  O      1.49147036     -2.68315578     -1.30836952
  H     -1.65565494      1.10867570      0.75911636
  H     -1.59062113     -3.01268259     -1.36299599
  O     -1.29347213     -0.61419402      3.73960835
  H      1.36175299     -5.70875323      2.93534197
  H     -1.33911492     -1.48131973     -1.37444719
  O      0.00316012     -0.26299096     -1.70868779
  H      2.29552035     -6.48055995      1.97228756
  H     -1.48710921     -3.91005560      5.08484171
  O     -1.92808390     -2.16885474     -1.03598602
  H     -0.70901220     -5.05369949     -1.01089265
  H     -2.15846247     -4.77485859      3.97581444
  O     -1.86885741     -4.78049200      4.90089044
  H     -0.78590844     -5.13080775     -2.55368003
  H     -3.54608340     -1.68731427     -0.35728104
  O     -4.29133844     -1.34021644      0.15296083
  H     -1.49618509     -5.56184471      1.10039067
  H     -4.59993527     -2.05932660      0.71539492
          69
 Energy    -248.08512701878919     
  O     12.12363132      4.45759513    -13.10603049
  H     12.46057268      5.04304370    -13.79882037
  H     13.79908817      9.35512492    -15.54222517
  O     17.10142410      6.90996635    -12.39304855
  H     12.85327847      3.86622889    -12.88686493
  H     16.48739802      9.56867702    -14.34333792
  O     16.82208481     10.25823631    -16.01399479
  H     16.80441401      7.73563944    -12.80792997
  H     16.36548694      9.99152605    -12.84806889
  O     14.51466089      3.09204992    -12.21205749
  H     16.70226778      6.18312717    -12.88868978
  H     11.62111764      5.34637930    -11.68824684
  O     14.46548008     10.39933982    -10.00689167
  H     17.31329762     10.99604213    -15.62327421
  H     10.55761912      5.64347094    -10.60551075
  O     15.46562491      6.90886359    -10.13676964
  H     17.47245505      9.58832272    -16.26367496
  H     17.80559874     10.40753861    -10.60762579
  O     16.87841597      6.21149437    -16.17845407
  H     14.62623088      2.17576318    -11.97436728
  H     18.80764966      9.22714103    -10.58562826
  O     16.33624373      8.91880425     -8.39505331
  H     14.35358047      3.57962355    -11.38381680
  H     13.05222748      4.95963486    -10.14601598
  O     18.71208374      8.18536659    -16.32013140
  H     13.83875723      9.74337983    -10.33758804
  H     14.53105077      5.34777989     -9.96228241
  O     15.74914712      5.00468391    -13.86123538
  H     14.98931918      9.94861601     -9.33221799
  H     19.05163828     12.68771218    -14.74462856
  O     19.73265793      9.64211335    -14.07253683
  H     16.09326711      6.90250435    -10.87170323
  H     18.94015555     11.21396540    -14.31845100
  O     14.16807233      9.42006515    -16.43155836
  H     15.79592829      7.52365329     -9.47003084
  H     20.18825625      7.28269820    -11.54298517
  O     16.24185379      9.25672307    -13.46410459
  H     16.06523428      6.40464885    -16.66226934
  H     18.71827787      7.47551779    -11.98523396
  O     11.46044377      5.82260684    -10.85365151
  H     16.61963242      5.67790429    -15.41788288
  H     15.69253061     11.08611652    -11.05993387
  O     18.29622867      9.81749454    -10.01999329
  H     16.57098934      8.98911276     -7.47411712
  H     16.41587073     12.19544505    -11.88764926
  O     13.93473074      4.58842111    -10.02791557
  H     17.10015484      9.23863885     -8.90879531
  H     13.41528397      7.07990200    -14.43665998
  O     18.41852822     11.99376858    -14.57949363
  H     19.28560043      7.97174248    -17.05176944
  H     13.63621226      6.32603826    -15.77549849
  O     19.54253593      7.94629421    -11.77248581
  H     18.08826459      7.44278954    -16.23317751
  H     12.41653511      7.43524204    -10.93031786
  O     16.47346774     11.28616218    -11.60607704
  H     14.94295204      5.43779916    -14.17935951
  H     13.92520422      7.69904844    -10.75780973
  O     13.43118723      6.20014081    -14.84179973
  H     15.45316386      4.25675798    -13.32841950
  H     13.24216997      8.57530774    -12.80156404
  O     13.09253697      8.11765173    -11.02206477
  H     19.72702253      9.09733081    -13.27749776
  H     14.50001410      8.90766068    -13.62190413
  O     13.55469764      8.71240965    -13.70520677
  H     19.45372782      9.06680436    -14.79640379
  H     14.03626652      6.82894105    -18.27330946
  O     14.39160814      6.90379692    -17.39220108
  H     15.04107320      9.82796903    -16.34442804
  H     14.29929281      7.83750592    -17.12766386
          69
 Energy    -248.08492084849564     
  O     11.87298175      8.86936937    -13.70943112
  H     12.38903863      8.36463478    -14.35314644
  H     19.59529820      9.35435826    -13.52382353
  O     17.06928146      5.89602413    -13.47674658
  H     12.21919394      9.76762147    -13.75141115
  H     14.20925864     11.11261337    -15.46624887
  O     17.33801948     10.05320027    -10.61732522
  H     16.74953443      6.78488710    -13.69715581
  H     15.66535238     10.92068783    -15.94028092
  O     17.30873030     10.48166858    -15.24394046
  H     17.98341051      5.97575750    -13.18027398
  H     15.52811756      8.81404605    -13.30002418
  O     13.22639191      4.83827837    -14.92287599
  H     16.78138304     10.19119694     -9.83936090
  H     16.38076144      8.98694994    -14.57149615
  O     15.43694699      9.87611164     -8.58792246
  H     17.59406982      9.11583422    -10.58390091
  H     11.61140324      7.94500873    -12.26861717
  O     15.49957032      5.97707030    -11.17003986
  H     17.76741779     10.73090242    -14.43195847
  H     10.62503938      7.40719795    -11.20435686
  O     14.93933128      9.96680193    -12.02767866
  H     17.92734369      9.96727586    -15.78069940
  H     17.07906786      6.85053388    -10.54091989
  O     16.75708339      7.25882102    -17.24894063
  H     13.30237251      5.78441199    -15.13507167
  H     18.53742780      6.99576879    -11.02773808
  O     18.94205891      8.64980846    -16.56794563
  H     12.53336189      4.48793972    -15.47778294
  H     12.46763109      5.75880927    -11.90968646
  O     15.99012932      4.96840060    -15.86431021
  H     15.55043788      9.52196546     -7.70834816
  H     13.11639161      4.89306200    -13.01675923
  O     19.95092501      8.54605594    -13.91095082
  H     14.86383565      9.24576144     -9.05123395
  H     19.25214475     11.67338242    -12.59343075
  O     14.74861765     10.94795207    -16.24851373
  H     16.04551812      5.87638238    -11.96201525
  H     18.26009610     10.64773240    -12.00806922
  O     15.89518040      8.33417473    -14.05355669
  H     14.66729419      5.52729906    -11.38107444
  H     20.43606102      5.80936287    -12.39143968
  O     11.54314182      7.40459552    -11.46120737
  H     15.79535697     10.12459087    -11.60972687
  H     19.82887338      7.12101259    -12.95105558
  O     17.86894404      7.39997777    -10.46118810
  H     14.47201782      9.35223766    -11.44440259
  H     13.71672881      7.86243450    -16.30544081
  O     13.08479206      5.03340769    -12.06208340
  H     15.95468995      7.72319314    -17.50855723
  H     14.42319196      7.71722523    -14.94042778
  O     18.72056324     10.91402344    -12.82130574
  H     16.48265864      6.42806052    -16.83355935
  H     13.07961335      7.87887781    -10.52388016
  O     19.63885958      6.33089552    -12.41385380
  H     18.18122354      8.09228459    -16.81648456
  H     14.54789509      7.37313953    -10.50846981
  O     13.60697411      7.50361260    -15.41635618
  H     19.51440891      8.68401775    -17.32947705
  H     13.09419742     12.17611948    -13.42101322
  O     13.97393038      8.10698946    -10.24088193
  H     15.08718104      4.74854094    -15.61403906
  H     13.93515724     10.91231390    -13.13128073
  O     13.33826385     11.32579858    -13.77863381
  H     16.44477120      5.14393750    -15.02755627
  H     13.98481671      9.00119670    -18.63482226
  O     14.34234588      8.76129034    -17.78469041
  H     19.65174416      8.52266655    -14.82876237
  H     14.47003326      9.59034542    -17.28786573
          69
 Ord_Energy   -248.084778    
 O   -2.17051697      -2.36859703       1.11474669    
 H   -3.02090955      -2.49965215      0.705027580    
 H   -2.33625579      -1.98225164       1.99388266    
 O    3.66613841      -1.80740523       7.05060005    
 H    3.08660531      -1.06782484       7.26844740    
 H    3.09334397      -2.53868604       6.79117012    
 O    6.13467360       1.08819449       4.62247753    
 H    6.25374603      0.308448583       5.17861509    
 H    5.33187819       1.51856744       4.94248009    
 O    6.18989182      -1.29676402       6.20101881    
 H    5.29912758      -1.48312366       6.54932356    
 H    6.80919600      -1.54774868       6.88110065    
 O    3.14910913     -0.748848498       3.38232398    
 H    2.34073520     -0.683832288       3.91297626    
 H    3.18866515      -1.98950991E-02   2.74448824    
 O    2.02043653      -4.00494432       6.18981266    
 H    2.05783582      -4.81750011       6.68923903    
 H    2.48887253      -4.17250729       5.35234213    
 O    2.46513486       9.10510719E-02 -0.614476860    
 H    1.57734835     -0.147751570     -0.315749198    
 H    2.95058990     -0.737607062     -0.708204985    
 O    5.35794067      -2.38164902       3.75447655    
 H    4.60710335      -1.77334726       3.66132164    
 H    5.80648708      -2.12185979       4.56725931    
 O   -2.31395173      -1.26639140       3.59573174    
 H   -1.82298422     -0.442097902       3.48032093    
 H   -1.81111014      -1.80475652       4.21751881    
 O    3.92319822      -2.38777089     -0.447796881    
 H    4.68933487      -2.08725905       7.48336166E-02
 H    4.26571798      -2.91611671      -1.16346943    
 O    5.93130922      -1.55347383       1.14482141    
 H    6.11993265     -0.621094763       1.30444300    
 H    5.88125563      -1.96085632       2.02012062    
 O    2.01657867      0.494565278       7.28110266    
 H    2.55397987       1.00461042       6.64960051    
 H    1.70482755       1.10706294       7.94189024    
 O    3.36292148      -4.32670212       3.85053110    
 H    2.91186714      -4.09101534       3.03444910    
 H    4.17458630      -3.79933119       3.85334611    
 O  -0.348215401      -2.99472475       4.97405243    
 H   0.343544692      -3.41865635       5.49674654    
 H  -0.345055640      -3.43487263       4.10900593    
 O  -0.249124676      -4.03595972       2.42908549    
 H   0.590403974      -3.70842528       2.08301973    
 H  -0.937252998      -3.62133861       1.89366043    
 O    3.43837047       1.57309794       5.21331644    
 H    2.84132051       2.10362768       4.66084862    
 H    3.57193327      0.752188444       4.72433519    
 O    1.76528716       2.67611670       3.36554408    
 H   0.909594536       2.25907755       3.21111417    
 H    2.33440065       2.37305427       2.64298511    
 O   0.192933470     -0.876271009      0.775218606    
 H   0.830511451      -1.53046370       1.08730006    
 H  -0.654572725      -1.33740342      0.725757182    
 O   0.909808993     -0.583240926       4.92360926    
 H    1.11773407     -0.260822833       5.80731153    
 H   0.454125792      -1.43404484       4.99623680    
 O    2.17521572      -2.76775050       1.67165744    
 H    2.52563381      -2.11161423       2.29033566    
 H    2.74914408      -2.75428557      0.893015862    
 O    6.26751089       1.17652488       1.90053201    
 H    6.28158760       1.14362597       2.87333846    
 H    6.94660854       1.79230440       1.63715518    
 O    3.46561003       1.32686102       1.60257232    
 H    3.15671158      0.989439905      0.748350203    
 H    4.42868471       1.37461519       1.58560252    
 O  -0.430309981      0.837651789       2.97898054    
 H  -0.198653921      0.363919795       2.16861534    
 H    5.21369614E-02  0.399367094       3.69724083    
          69
 Energy    -248.08447000045487     
  O     13.27709984     11.29378047     -8.68440144
  H     13.27588909     11.28509779     -7.73123589
  H     11.27769278     13.56204607    -13.43324025
  O     10.96502829     10.93964006    -15.63954206
  H     13.90610359     11.98614420     -8.96085572
  H     15.63078879     13.61318205    -16.53533045
  O     14.17805864      9.11970160    -10.33936978
  H     11.47931530     11.17222216    -16.41850771
  H     16.24220189     13.57174422    -17.95715808
  O     18.30622095     13.26260641    -13.16998608
  H     10.83982391     11.75812567    -15.13441740
  H     13.21844156     13.30963746    -12.56836213
  O     11.39156214     11.82987070    -10.67765307
  H     13.93829041      9.79980494     -9.69926379
  H     13.03646144     14.58537194    -11.72705646
  O     11.97310708      9.40621228    -12.01788846
  H     13.40617076      9.01810459    -10.91246253
  H     12.64532041     13.32877371    -16.46565167
  O     13.28092855     10.03155710    -14.35894271
  H     19.25251968     13.36870705    -13.21096997
  H     11.62853294     14.00522938    -15.52288401
  O     14.46225925     15.58091397    -10.98657429
  H     18.04835451     12.72970292    -13.94543501
  H     14.11255390     11.52543998    -13.68068443
  O      9.67456612      9.46666329    -13.54080574
  H     11.92743451     11.64442390     -9.89627314
  H     15.18252412     12.14294573    -12.71975602
  O     14.88160427     14.41443043    -15.13410647
  H     11.80343094     12.58333530    -11.12597775
  H     17.04789482     12.07290983    -16.00088041
  O     13.47353293     11.64438640    -16.92779317
  H     11.16212610      9.21684354    -12.51163406
  H     17.03733936     10.91272584    -14.97207602
  O     10.61123274     13.22548924    -14.05005146
  H     11.81188138     10.24307325    -11.56100981
  H     15.71470246      9.04764323    -11.11675416
  O     15.92552783     13.01855139    -17.24744760
  H     12.96949002      9.71118255    -13.49959930
  H     17.11485666      8.39645849    -11.22478162
  O     12.54637393     13.87194632    -12.15024632
  H     12.47249808     10.28007134    -14.82702721
  H     15.12639300      9.47974874    -14.45219396
  O     12.34400623     14.18871049    -16.14254062
  H     15.15786040     15.52714311    -11.66641385
  H     16.28019094      9.25614525    -13.45932231
  O     14.46023393     12.35158406    -13.32589234
  H     14.47948487     16.47305641    -10.65081557
  H     16.69245106     10.92888531    -11.52730965
  O     17.49490045     11.72943713    -15.22056817
  H      9.97392710      9.81360852    -14.39069098
  H     17.26152502     12.31213654    -12.00569407
  O     16.56803257      9.08882370    -11.58599761
  H      9.28186438     10.21929893    -13.08083369
  H      8.25440131     12.10376348    -11.57015031
  O     16.08725147      9.48624292    -14.37693975
  H     14.81869016     13.67057377    -14.51455068
  H      9.77674038     11.84810075    -11.49447420
  O     16.54443008     11.88301465    -11.52072069
  H     13.98340585     14.55841180    -15.46582911
  H     17.06569777     14.72758241    -12.97076889
  O      9.01693875     11.88347322    -12.09955366
  H     13.69921367     11.03960267    -16.21489419
  H     15.85655930     15.22108545    -13.78148101
  O     16.33002610     15.35025203    -12.94773470
  H     14.31480418     12.03451552    -17.20142527
  H     14.81531771     14.00828581     -9.96171946
  O     15.00182056     13.14125213     -9.58510666
  H      9.90701847     12.87064884    -13.49423022
  H     15.61137358     12.70788072    -10.19957046
          69
 Energy    -248.08440850521694     
  O     19.41720152     10.59811051     -7.55797696
  H     19.73761150     11.25398888     -6.94487445
  H     21.17543410      9.16489677     -9.61228867
  O     17.60488463      5.23381559     -9.76273769
  H     20.08452284     10.51801732     -8.26375000
  H     16.49997758     10.36896196    -12.72255011
  O     17.44496509      4.98722263    -13.40081372
  H     16.85790842      4.98954635    -10.32371733
  H     15.34162175     10.28292570    -13.74837569
  O     17.75411502      7.73168221    -13.28107266
  H     17.78513314      6.16342403     -9.97225429
  H     20.52090946      4.35957648    -13.88348709
  O     20.58279386      7.72791307    -12.69964076
  H     16.70929376      4.79189837    -12.80912149
  H     19.18390829      4.89589173    -13.32247663
  O     15.38728704      5.02786360    -11.43735322
  H     17.45504629      5.95340483    -13.47494715
  H     13.07507123      7.23466394    -10.73795979
  O     14.16624734      5.49471543     -7.29647023
  H     18.68247944      7.99021693    -13.26249605
  H     12.55833410      5.93333587    -10.09746576
  O     20.68256064      7.39182671     -9.81624962
  H     17.19387376      8.50790213    -13.40511685
  H     14.45796592      8.49614486     -8.25619892
  O     18.08722929      7.87210016    -10.48022225
  H     20.71746057      7.62487199    -11.74829341
  H     15.86980259      7.84792801     -8.20771320
  O     19.26131607      7.76166784     -7.17436196
  H     20.52527400      6.82454236    -13.03914708
  H     15.08022427      8.47203411    -11.92060197
  O     17.29786174     10.32930693     -9.36367970
  H     14.69549539      4.64408664    -10.88419659
  H     15.06430635      8.07720077    -10.41423191
  O     21.13113983     10.13191759     -9.60110625
  H     15.20649239      5.97810226    -11.47577044
  H     20.63132271      9.54003609    -12.61839461
  O     15.85324532      9.76576633    -13.13232770
  H     13.64962363      6.30915118     -7.26933792
  H     21.12880933     10.94818503    -13.00465821
  O     20.15219844      4.99121125    -13.27154011
  H     15.08803094      5.75988758     -7.17838432
  H     17.62993364      6.91978378     -7.17714495
  O     12.35071277      6.86949015    -10.21203167
  H     20.74079126      6.42943841     -9.91636009
  H     17.04879645      5.88516918     -8.15912612
  O     15.35058770      8.55569767     -8.61709927
  H     19.75464515      7.62392832     -9.99025858
  H     11.97342443      8.37145259     -7.38209367
  O     14.79669455      7.79255807    -11.29956981
  H     17.80791195      8.72622891    -10.12986289
  H     12.49290435      7.61186090     -8.62830139
  O     20.54232908     10.48389649    -12.41083325
  H     17.85673511      7.83300063    -11.41610723
  H     18.72008862     11.02027828    -12.09725590
  O     16.80707577      6.48214347     -7.43607044
  H     19.30227048      8.72594887     -7.16805963
  H     17.62359722     11.02741735    -10.99955716
  O     12.74858387      7.96221406     -7.75575915
  H     19.88971517      7.48377205     -7.84734802
  H     19.39445185      4.72419029    -10.13131082
  O     17.78540875     11.19341100    -11.94035842
  H     17.93789413     10.48018136     -8.65641764
  H     20.32395947      4.71082002    -11.35957602
  O     20.32434221      4.76038745    -10.39634902
  H     16.53963532      9.85370726     -8.99446206
  H     12.96920895      3.43752649     -9.40464535
  O     13.39298985      4.26852834     -9.60169122
  H     20.97376569     10.39599231    -10.51408810
  H     13.70004569      4.63458046     -8.75293580
          69
 Energy    -248.08435113279199     
  O     20.67557219      5.90043157    -11.72476632
  H     20.84074972      6.57272483    -11.04568319
  H     15.63067928      9.57282493    -15.07936729
  O     15.87569685      8.62200689    -10.02760756
  H     20.57718744      6.40760045    -12.54171019
  H     17.27954017      7.88165993    -12.71566065
  O     13.04374600     10.76921696    -12.94675247
  H     15.49342535      7.80993352    -10.39012202
  H     17.65049240      6.51198931    -12.06814990
  O     16.49305727      9.23492621    -16.58107598
  H     15.13677662      9.24538570     -9.96463330
  H     14.63249918      6.43508080    -14.26024650
  O     11.68646720      8.25160181    -12.91847236
  H     13.80474990     10.43776609    -13.45307459
  H     14.48466967      7.96464881    -14.02080073
  O     18.19897869      5.68081890    -10.49548867
  H     12.82288200     11.62192090    -13.31285665
  H     17.29950451      8.18330330     -9.06860797
  O     14.40721831      6.51162710    -11.12119429
  H     16.90276437      8.35522626    -16.63757992
  H     17.96775365      7.83569149     -7.71958339
  O     15.98318341      4.16202044    -11.10950909
  H     16.41330101      9.54097062    -17.48071520
  H     20.77859133      5.24995904    -16.52821395
  O     16.98897063      3.06181391    -13.36178947
  H     11.98366682      9.16835360    -12.98014669
  H     19.94223457      5.03585789    -15.24521116
  O     19.99227740      7.57027291    -13.93016653
  H     12.37643703      7.73150556    -13.35404854
  H     13.38709030     10.38097915    -11.08507761
  O     19.63119261      4.09272639    -13.79971587
  H     18.19473284      6.33332145     -9.78520615
  H     12.93948080      9.29006747    -10.09811118
  O     15.20913181      9.66165624    -14.21180458
  H     19.09720232      5.65238204    -10.85334740
  H     19.83080039      8.11403534     -9.50163355
  O     17.49356821      6.96049850    -12.90928599
  H     14.33004605      6.69595840    -12.06844432
  H     20.44823161      8.78151243    -10.74117832
  O     14.07970702      7.10542648    -13.83829593
  H     13.56350021      6.76436621    -10.72573246
  H     20.51249288     10.51327643    -12.63731341
  O     18.11078098      7.83386676     -8.66299866
  H     15.32515929      4.86828041    -11.09232675
  H     20.06897986      9.06806388    -12.96216998
  O     20.12536634      5.66177104    -15.96927658
  H     16.79084696      4.56561040    -10.75975236
  H     16.59388201      5.97211953    -14.07678347
  O     13.54875547     10.03284271    -10.19954287
  H     16.77469815      2.13406934    -13.41089730
  H     16.29295949      4.49699122    -14.39255892
  O     20.61868580      8.12104103    -10.05835597
  H     16.58631902      3.39886476    -12.54091496
  H     18.43746853      6.37127239    -16.55030433
  O     19.97236305      9.79309011    -12.32061077
  H     19.09125473      7.32083605    -13.66999638
  H     16.97532394      6.16928559    -16.11725094
  O     16.09738945      5.39513242    -14.68123653
  H     20.17980915      7.07415001    -14.73507424
  H     11.14113187      7.34196906     -9.88378253
  O     17.54575475      6.71221666    -16.67858239
  H     20.00307862      4.43896923    -12.98168802
  H     11.74203496      7.82626795    -11.22608156
  O     11.94902656      7.64043379    -10.29181183
  H     18.76388400      3.72351698    -13.59139590
  H     18.09323106      9.82315005    -12.17433179
  O     17.14820403      9.65077789    -12.26335811
  H     15.91384709      9.76204539    -13.55636758
  H     16.78225850      9.41743480    -11.39848108
          69
 Energy    -248.08421254970182     
  O     11.43739293     10.42635574    -11.57587509
  H     11.61334599     10.14212825    -12.49152986
  H     16.14659471      6.49200995    -13.50257126
  O     10.36578712      4.66603003    -10.69499678
  H     11.07460450     11.30697642    -11.62563398
  H     13.98380862      6.58545694    -12.94190594
  O     17.38561013      5.79979671    -12.40763165
  H     11.10494130      4.22203757    -11.13316858
  H     12.44612302      6.75918398    -12.97070783
  O     15.12337735      4.33550240    -15.47232605
  H      9.87145341      5.12194298    -11.38620877
  H     10.27746927      7.77757788     -9.96803969
  O     15.18091576      3.31203706    -11.05313063
  H     16.90064072      5.78656652    -11.56914174
  H     10.40049610      9.00002710    -10.92158548
  O     16.64093119     10.19234340    -10.09266413
  H     18.02964208      6.51983611    -12.34857844
  H     18.50085003      8.81480892    -12.28347294
  O     11.04273397      6.46080669     -8.78976904
  H     15.68157078      3.89592431    -14.81142675
  H     18.68953507      8.01022880    -10.98027937
  O     14.95475636      9.42852013    -13.43749005
  H     15.44139508      4.05671877    -16.32832275
  H     13.39648217      6.87192495    -10.71885718
  O     12.29686630      4.37846659    -14.81786709
  H     15.51763354      4.07164486    -10.56217806
  H     12.77308897      6.85626351     -9.29891050
  O     17.86467634      7.93898272     -9.22499155
  H     15.73391069      3.22996979    -11.83765831
  H     17.16169150      4.21844382    -13.12431525
  O     12.64865090      3.83415654    -12.06176167
  H     15.68807927     10.09498335    -10.22960723
  H     17.57912532      2.76331922    -13.44908076
  O     15.40047037      6.76394252    -14.05665522
  H     17.00690567     10.39915858    -10.96096913
  H     16.71773779      6.49921657     -9.60653553
  O     13.19076826      6.54815528    -12.39264441
  H     10.79860108      5.75787378     -9.42024401
  H     15.20753122      6.25241686     -9.82691479
  O      9.84871717      8.24122145    -10.69737719
  H     10.67970760      6.21014774     -7.94484539
  H     17.75915929     11.07941115    -13.38201690
  O     18.88863689      8.00650545    -11.92553901
  H     14.62320087      9.40429853    -12.52740147
  H     16.60582847     10.08357972    -13.13257885
  O     13.58118610      7.06242699     -9.78294849
  H     15.11727432      8.51734082    -13.72153772
  H      9.27874269      7.13523347    -11.90124958
  O     16.84428689      3.37109849    -13.48452056
  H     13.20491653      4.31986959    -15.13428949
  H      8.11274932      6.47370480    -12.67771786
  O     16.08385923      5.86847865     -9.97286834
  H     12.31495769      3.99145423    -13.93158431
  H     13.87071277      8.76087366    -10.32909370
  O     17.48773115     10.35276135    -12.82680318
  H     18.34356469      8.10904155     -8.41805469
  H     13.12949025      9.97813692    -10.94359444
  O      9.05768391      6.44486534    -12.55332082
  H     17.39951112      8.76408764     -9.45371972
  H     11.79495371      8.66368983    -14.28095900
  O     14.00499933      9.61089825    -10.77163119
  H     13.45076966      3.47927351    -11.65622398
  H     13.07184761      9.52370898    -14.05495141
  O     12.10798109      9.54721607    -14.04385056
  H     12.82357930      4.78114131    -12.16952562
  H     10.39839914      6.71500939    -13.79487277
  O     11.21280995      6.87707475    -14.28976301
  H     15.25310491      6.05248248    -14.69039460
  H     11.52668752      6.02063959    -14.61810422
          69
 Energy    -248.08418941985343     
  O     11.83762064      2.76169023    -11.09222455
  H     11.27354424      2.01995744    -10.88107711
  H     17.49979163      6.77229617    -12.84497302
  O     17.98278665      5.36162814    -10.38406854
  H     11.69735794      3.42027513    -10.39535098
  H     14.45797514      5.25343082    -12.09683691
  O     14.41957177      8.51423951    -11.91841214
  H     17.43776854      4.61637699    -10.10688161
  H     14.08981819      5.55497528    -10.60809480
  O     14.63699423      9.91896268    -16.02221805
  H     17.99357812      5.36543223    -11.34996023
  H     13.71368071      2.47688858    -11.35179002
  O     17.74763912      7.92912879     -9.56574742
  H     13.96730988      8.94671183    -11.18533801
  H     14.92293456      2.91931981    -12.21103009
  O     14.25327105      5.06899622     -8.81753117
  H     14.33604083      7.56170906    -11.75165990
  H     12.34334047      8.54701006     -9.72192483
  O     16.28697319      3.25065998     -9.45902943
  H     14.73890151     10.73950918    -16.49582586
  H     12.62297280      9.98604910     -9.23030814
  O     13.29068979      8.13204425    -14.44664064
  H     15.52511918      9.67710678    -15.70850076
  H     11.12957547      7.16970883    -11.06599767
  O     11.59499390      4.63594515     -9.00609958
  H     18.50237891      8.17450177     -9.03677398
  H     11.22139801      6.42619767     -9.72274047
  O     17.06152738      9.03330248    -15.07470183
  H     17.86118071      6.98833260     -9.79534044
  H     17.46172277      8.43817181    -11.36921666
  O     17.13962990      6.27933872    -15.89319318
  H     14.60451284      5.94411468     -8.58616037
  H     16.17467753      8.57351245    -12.20093834
  O     17.68641156      5.87273780    -13.15325665
  H     14.98784811      4.45011248     -8.90358931
  H     15.99250365      7.81647208     -8.82421242
  O     13.96159254      5.84548513    -11.51736155
  H     15.73341022      2.87583471    -10.16821839
  H     14.49246202      8.22591117     -8.77872103
  O     14.67048886      2.39592533    -11.43662653
  H     16.68222524      2.51476974     -8.99918752
  H     11.96589172      7.19389686    -13.47200653
  O     13.04703778      9.20339679     -9.57164508
  H     13.62109378      8.78895358    -15.07627180
  H     12.39016796      6.27325380    -12.31182154
  O     11.16328853      7.30672674    -10.10865900
  H     13.68586673      8.36205977    -13.59369917
  H     16.24620538      4.75821207    -13.18745220
  O     17.13585655      8.47270600    -12.27627351
  H     12.54692606      4.77648336     -8.85275734
  H     14.99671386      4.70216193    -14.09296092
  O     15.13628200      7.59219098     -8.43995064
  H     11.19355111      4.51893823     -8.14825260
  H     11.46629772      3.50931954    -12.83444315
  O     11.61321776      6.61573371    -12.78333241
  H     17.19997561      8.97130823    -14.12141843
  H     11.22961128      4.91818000    -13.40202550
  O     15.39719886      4.31029001    -13.30560246
  H     17.17405631      8.13846539    -15.41803950
  H     12.02749775      3.95399832    -15.23909887
  O     11.26770719      3.98328694    -13.64832939
  H     17.42321354      5.93045660    -16.73414284
  H     11.85707183      3.77389884    -16.75725711
  O     12.48248255      4.05071691    -16.09342189
  H     16.18396565      6.10850119    -15.82738176
  H     14.04099440      6.60410588    -15.14469434
  O     14.47075897      5.80354884    -15.47464322
  H     17.69514455      5.92549762    -14.11716759
  H     13.78104156      5.20906458    -15.80526435
          69
 Energy    -248.08409301869273     
  O     16.86685786      8.90856632    -14.84914847
  H     16.87040608      9.84436464    -15.09617228
  H     11.69989202     10.31028462     -9.82063435
  O     15.57750878      7.45001575     -8.64112782
  H     16.51919358      8.85974068    -13.94629611
  H     20.86846450      4.24135118    -12.45897866
  O     17.10046263     11.60773260    -15.08664251
  H     16.15960971      7.17292180     -9.36825877
  H     19.42105018      4.40384276    -12.98019903
  O     13.07847570      7.15108226     -9.99403376
  H     15.91842164      7.04332511     -7.84832736
  H     16.62260852      6.06369435    -11.43976450
  O     15.57342688      6.55297507    -15.20727875
  H     16.45275289     11.93603581    -14.44978927
  H     17.88485464      6.96375225    -11.20976107
  O     19.56612934      8.57657145    -14.63892314
  H     17.96999220     11.67068240    -14.67288064
  H     20.23240905      5.57479180    -14.59403636
  O     19.77168690     11.22410303    -13.99900221
  H     12.77998215      8.05751267    -10.13797272
  H     19.22493363      5.60173621    -15.75996058
  O     19.39722552      7.47731488    -12.04886358
  H     13.88273637      7.21191901     -9.46473636
  H     14.66716531     13.19673584    -13.25904521
  O     12.97634207      5.45767336    -12.06455109
  H     16.11151945      7.36015971    -15.23542002
  H     14.34211488     11.68874557    -13.20200530
  O     13.04590936     10.50510807    -13.01893404
  H     14.70302146      6.85552286    -14.91882006
  H     16.77099143      5.39344884    -15.89987786
  O     13.49923316      7.74175925    -13.71221182
  H     18.61049920      8.65551892    -14.78414615
  H     17.27982057      4.44503127    -17.00525699
  O     12.42097789      9.91469788    -10.30380199
  H     19.84334874      7.73605552    -15.02887701
  H     16.15707436      8.00122259    -11.79651368
  O     20.24141929      4.88664453    -12.77449923
  H     20.57787220     11.64565102    -14.28587911
  H     15.83089418      9.51352376    -11.86917071
  O     17.02743340      6.70781279    -10.84129389
  H     19.81950874     10.29904370    -14.29821002
  H     16.00599128     11.64121200    -11.73335004
  O     20.04177005      6.00199857    -15.43825918
  H     19.78703590      6.60104082    -12.16759398
  H     17.25774406     10.88371005    -11.14143971
  O     15.07146160     12.33395512    -13.20920549
  H     19.44109662      7.89337774    -12.92098477
  H     14.75980618      5.13098113    -12.45015498
  O     17.50068880      4.80301102    -16.14861913
  H     12.22747328      4.87463978    -11.97842534
  H     15.71784047      5.64362585    -13.54932364
  O     15.73226565      8.67581204    -12.33845521
  H     12.98221193      6.02992778    -11.27478904
  H     19.26776041     10.69697760    -12.25806602
  O     16.31235214     11.06487847    -11.02311923
  H     12.79356880     10.33789838    -12.10094424
  H     19.15370197      9.37860178    -11.46428416
  O     15.68886229      5.16026688    -12.71251230
  H     13.03836445      9.64149094    -13.44708686
  H     15.34982408     10.58102185     -9.58587766
  O     18.90542587     10.30909296    -11.45096467
  H     13.14351714      6.99717975    -13.21350404
  H     15.09660025      9.30846820     -8.74403718
  O     14.73850358     10.17979715     -8.94984070
  H     14.23986932      8.08419792    -13.18425436
  H     17.82438170      3.89982212    -14.48849386
  O     17.92694468      3.69535006    -13.55029991
  H     13.22938752     10.08071205     -9.78504470
  H     17.12269029      4.03088564    -13.13313304
          69
 Energy    -248.08400012857953     
  O     15.68706498     11.98236001    -16.04797995
  H     15.29926817     12.85046731    -16.12560812
  H     16.09055300      4.63188265    -16.39973631
  O     13.25957031      5.55020521    -15.54731502
  H     15.06250519     11.44545943    -15.52774164
  H     17.88315089      8.59198934    -16.65709332
  O     18.71648643      7.34789883    -11.89163117
  H     12.45954954      5.04274796    -15.64880980
  H     18.77211242      7.92940508    -17.71937046
  O     18.74889442      6.03665476    -17.99228793
  H     13.95430686      5.09793405    -16.06158972
  H     16.84527666      8.45246552    -14.62758336
  O     16.05186512      5.97544360    -19.11237670
  H     18.22327204      8.08379398    -12.29701400
  H     15.77308097      8.08901921    -15.71474875
  O     14.71260322      8.22728562     -9.55566650
  H     19.64312710      7.54389974    -12.00033262
  H     14.08854467     10.02013958    -13.77541238
  O     14.53983601      6.29940670    -13.16178703
  H     19.36750923      5.38885666    -18.32122616
  H     13.86458248      9.62734385    -15.24971537
  O     17.20815874      9.24994744    -13.03247870
  H     18.44161409      5.71217530    -17.12938515
  H     16.15305051      3.45778838     -9.80416464
  O     17.59294361      5.40257574    -15.54653476
  H     16.97621569      6.10284771    -18.87042091
  H     15.34032296      4.67206808    -10.31587307
  O     13.89130005      5.63942622    -10.51732189
  H     15.64263370      6.84929757    -19.12273218
  H     14.14643528      8.21463440    -17.26445292
  O     19.99929149     10.78723777    -16.09803189
  H     14.58660977      8.68345146     -8.72800644
  H     13.66244375      7.27166619    -16.11357886
  O     15.28726544      4.48513760    -16.91396167
  H     15.60020883      7.82757793     -9.52342795
  H     17.73514842      5.91353295    -12.51502424
  O     18.53341402      8.78693229    -17.35097956
  H     14.08979503      5.99340824    -13.95830099
  H     16.88866793      4.73073426    -11.99196138
  O     16.70143296      7.99722867    -15.46695889
  H     15.43315834      5.93186247    -13.15728017
  H     17.74318570      7.14062943    -10.27887958
  O     13.99627951     10.38573381    -14.66315728
  H     16.29752879      9.29040292    -12.71337438
  H     16.91032557      5.98692307     -9.69635973
  O     16.23046581      4.27707822    -10.28497034
  H     17.46140745     10.10484967    -13.41477493
  H     16.20491087     10.97332684    -17.55213983
  O     14.03060890      8.14215175    -16.30784606
  H     17.26078970      6.31537194    -15.53562346
  H     17.24093548      9.94281475    -18.07228882
  O     17.14482080      5.19999221    -12.79580708
  H     17.55831433      5.11187946    -14.62765599
  H     14.53240924      8.84062295    -11.32290436
  O     17.10845040      6.92499306     -9.58454497
  H     13.99112237      6.49830900    -10.08900626
  H     14.50274654      8.04750122    -12.64888501
  O     16.42227776     10.40218301    -18.29982037
  H     13.95332510      5.81897919    -11.46649528
  H     18.69488152     11.31929923    -14.91965350
  O     14.56254237      8.94258412    -12.28190317
  H     20.54287084     11.24630999    -16.73397677
  H     17.20302688     11.73371476    -14.95420892
  O     17.92024957     11.47677922    -14.36198936
  H     19.57413631     10.06393224    -16.58507235
  H     14.15618034      8.75965539    -19.76370664
  O     14.67048753      8.48661506    -19.00868809
  H     15.44931798      4.91613710    -17.76622227
  H     15.29154429      9.21168141    -18.81300147
          69
 Energy    -248.08390890699729     
  O      1.06104701      0.30276101      2.76604577
  H      1.54242307      0.07165143      1.95879443
  H     -1.53169667      1.03101010      7.12035408
  O     -2.85179416      0.40050747     -3.34128705
  H      0.12228977      0.16258233      2.56500644
  H      0.27155119      3.39841878      1.52141726
  O      0.08381127     -1.27378883      4.90602101
  H     -2.81390973      0.84324612     -4.18522075
  H     -0.88766013      3.13992777      0.53517236
  O     -4.32463893      0.30266065     -0.92684106
  H     -2.03032585      0.62099101     -2.87047859
  H     -3.14650853      1.41045506     -0.10244126
  O     -2.22933564     -2.33875121     -2.59218130
  H      0.60733028     -0.79459131      4.25068704
  H     -1.65910662      1.54312848     -0.42364560
  O     -0.01939904     -1.77768641     -1.01669205
  H     -0.37272677     -0.60023334      5.42374629
  H     -2.17907560     -0.08707518      2.87706271
  O     -3.83070910      2.28035571      2.69409477
  H     -4.01938334      0.39187449     -1.83738003
  H     -1.88267741      0.56756530      1.48815851
  O     -3.89057648     -2.66193167      3.88362834
  H     -4.09864438     -0.60001830     -0.65407695
  H     -2.90512081     -2.51631990      0.35250655
  O      0.77564467      2.96735679      3.24899694
  H     -2.83751128     -2.47165941     -1.85254289
  H     -4.44210359     -2.40361088      0.48109465
  O     -0.63615709      0.82155989     -1.74046218
  H     -2.51692763     -1.52376920     -3.01860206
  H      1.51218464     -0.86064059     -0.22819914
  O     -3.34612542      0.01244404      4.30665338
  H     -0.64505240     -2.08162407     -1.69124491
  H      2.06349466      0.58007408     -0.24253135
  O     -1.43750521      0.80528434      6.19857509
  H     -0.33321782     -2.16861505     -0.18936310
  H     -2.46256461      2.91636975      3.97330950
  O      0.00594532      3.49389264      0.59697196
  H     -3.28228353      2.37861070      1.90866962
  H     -0.91695829      3.06166084      4.07572129
  O     -2.33040146      1.82266070      0.21736258
  H     -4.60438200      1.77973185      2.38431737
  H      2.28269075      2.86019011     -1.57459088
  O     -1.57272255     -0.08524694      2.12572585
  H     -3.01527566     -3.06148566      3.93016124
  H      1.14643354      2.77509506     -0.52477757
  O     -3.70961282     -2.30382478     -0.14058191
  H     -3.76849723     -1.73214496      4.12657548
  H     -0.69614275     -2.74502216      4.32478893
  O      2.06595915     -0.24120799      0.26327439
  H      0.95449542      2.01919799      3.12294319
  H     -0.77494129     -4.28546021      4.39983059
  O     -1.72677910      2.96944033      4.59406035
  H      1.53146807      3.33462606      3.70089525
  H     -1.20020264     -3.14914571      2.09783515
  O      1.67464545      2.25619136     -1.15748497
  H      0.18296216      1.33036013     -1.70805854
  H     -1.40744844     -1.72668660      1.55825038
  O     -1.14687525     -3.52628253      3.95861009
  H     -0.42323503     -0.08112457     -1.45876498
  H     -6.44488163     -2.81370983      2.03306508
  O     -1.31278673     -2.65228869      1.28049494
  H     -3.62758446      0.83429225      3.88414599
  H     -5.04766341     -2.49550513      2.61661806
  O     -5.65706508     -2.29812992      1.88241820
  H     -2.77304675      0.24531239      5.04849728
  H     -5.73622621     -0.34843221      1.78389693
  O     -5.65894982      0.58429053      1.55102197
  H     -1.49455806      1.63831646      5.69665792
  H     -5.40709963      0.58617916      0.61826273
          69
 Energy    -248.08364897603673     
  O     16.08764244     11.50653668    -16.64499981
  H     16.49483340     11.11396309    -17.42694201
  H     19.49300253      6.44560505    -14.07435625
  O     17.57488820      7.77019354    -11.51872680
  H     15.22827313     11.07803567    -16.55081733
  H     19.32024137      8.04392222    -17.33133217
  O     19.26010590      6.29035464    -17.55714072
  H     17.15531842      8.44244756    -12.07880833
  H     18.62916514      9.38440886    -17.72699883
  O     16.58349792      5.58855896    -18.08268855
  H     18.49162855      7.72411467    -11.81461842
  H     16.95734730      8.47732676    -14.64948203
  O     13.00835147      8.82713597    -11.26005262
  H     18.38163130      5.98420961    -17.82647805
  H     17.86128047      8.34670234    -15.91085231
  O     14.35056324      6.11212580    -14.03001968
  H     19.37173043      5.99303140    -16.64547531
  H     13.64203536      9.60371843    -15.48556839
  O     16.41041748      9.54002299    -13.23223128
  H     16.15466423      5.06641772    -17.39358935
  H     12.75775908     10.24749040    -16.57804402
  O     17.26035863      3.85743124    -14.17324371
  H     16.08592316      6.41477391    -18.10882203
  H     14.10942626      4.50471745     -9.34688917
  O     12.60229979      6.02069320    -11.78555287
  H     13.81654389      8.58465184    -10.77277210
  H     13.69082046      5.39586647    -10.54332560
  O     19.76095355      9.90885010    -14.51360109
  H     12.50886779      9.40625295    -10.69084714
  H     15.98008499      7.96050814    -16.78696964
  O     15.24438451      4.21699777    -15.94042326
  H     14.52952948      5.53507761    -14.78149691
  H     14.70186585      8.68104901    -17.27592943
  O     19.00242535      5.95276402    -14.74108138
  H     15.03616043      5.91640142    -13.37399325
  H     19.99569167      8.57268546    -13.40538868
  O     19.17888650      8.96515693    -17.05624355
  H     16.72734026     10.39484955    -13.55079561
  H     20.98510425      7.81099680    -12.49566754
  O     17.13741979      7.92843126    -15.42117211
  H     15.47996925      9.43639088    -13.46823695
  H     15.69877856      5.20997915    -11.29957038
  O     13.65500087      9.99447169    -16.37582565
  H     16.92117996      4.23446474    -13.34997707
  H     16.76110242      6.18260866    -11.88797886
  O     14.41933807      5.19197217     -9.92978010
  H     17.99729707      4.43425273    -14.41790421
  H     14.99611213      7.01447690     -9.75046804
  O     15.43534312      8.13172705    -17.57341261
  H     13.04591950      5.94212356    -12.64081382
  H     16.08868973      7.94560604    -10.31377931
  O     20.09083793      7.79470650    -12.82689305
  H     12.55498826      6.96742012    -11.60366051
  H     16.52844800      9.24296706    -18.46945489
  O     16.22482997      5.40192376    -12.08467628
  H     19.10240964     10.60623229    -14.42624637
  H     17.13069235      9.90005521    -19.73359423
  O     15.20510544      7.94114585     -9.92507526
  H     19.73035506      9.63459669    -15.44175714
  H     13.43355452      8.90587981    -13.03714886
  O     17.13601766      9.93575489    -18.78043406
  H     15.98709498      4.01353315    -15.34275285
  H     14.00092957      7.86757440    -14.04949605
  O     13.80543749      8.80965763    -13.92363837
  H     14.83302611      3.38376389    -16.15622963
  H     17.64443441     12.71612274    -14.18093861
  O     17.55259302     11.79063888    -14.39070184
  H     18.25285704      6.52036173    -14.97729481
  H     17.05676767     11.73929315    -15.22746513
          69
 Energy    -248.08354235038098     
  O     16.12061735     11.33994231     -9.10473811
  H     16.48445423     11.84424633     -8.38242779
  H     14.18377891      6.26606559    -15.16981305
  O     12.57939522      6.04636906    -11.58022378
  H     16.73390539     10.60057474     -9.27130145
  H     16.41354669      6.10956804    -14.80935433
  O     17.34131192      9.90113732    -12.46903162
  H     13.15966025      6.37094203    -10.87621496
  H     17.30916070      7.37372681    -14.66032630
  O     17.32653496      9.17164402    -15.11300812
  H     13.09846601      5.38957502    -12.05804219
  H     14.94494554      7.81969397    -11.60221037
  O     14.47988025      7.17616087     -9.92104304
  H     17.48244480      9.75616252    -13.41487896
  H     15.90806814      8.76199841    -12.40227074
  O     14.73866057      9.67725942    -16.11460792
  H     16.77997366     10.68165738    -12.36103879
  H     13.35772862     10.02291968    -10.08724267
  O     14.08171433     11.69140439    -14.35361313
  H     17.86532592      9.06792645    -15.91041995
  H     14.52051103     10.33370359     -9.12076053
  O     15.82432558      5.87581942    -17.81833562
  H     16.43493920      9.39124031    -15.41244134
  H     14.20582500      3.30334431    -13.02942668
  O     11.28478358      8.10235110    -12.77300269
  H     14.24719312      8.03985902     -9.54764310
  H     14.47693146      4.59011803    -13.83891881
  O     16.84794944      5.34356174    -11.96737426
  H     15.36086525      6.93513625     -9.61303818
  H     13.82521173      9.58884587    -12.17623635
  O     13.44865037      7.78526296    -14.56940511
  H     14.53191735     10.49619772    -15.64272287
  H     12.29673706      9.65520114    -12.24733006
  O     14.74277631      5.49417075    -15.34019806
  H     14.21730295      8.98417802    -15.68536812
  H     17.64114325      5.89866698     -8.96918099
  O     17.29652154      6.41278357    -14.55424939
  H     13.49164830     11.22043062    -13.75217067
  H     17.12786803      6.06532337    -10.41911197
  O     15.05817144      8.30612793    -12.42890483
  H     14.73569222     12.09382616    -13.77277344
  H     18.22212155      5.91114527    -16.03689213
  O     13.76713481      9.74536038     -9.26044043
  H     15.73420013      6.78662865    -18.12524221
  H     19.25071981      5.10717792    -16.86344394
  O     14.36189505      4.24063586    -12.93901387
  H     16.76976504      5.73721508    -17.68137554
  H     17.78125307      9.44372848    -10.74272502
  O     13.07507893     10.19604433    -12.06575913
  H     11.69300782      7.34549672    -12.31195077
  H     17.61382216      8.34091973     -9.66906750
  O     17.18453171      6.50180420     -9.54951816
  H     10.34323093      7.95505999    -12.76101019
  H     15.35536195      9.10750684    -19.24049566
  O     18.55606747      5.75657311    -16.93621940
  H     17.14920181      5.74102385    -12.79415853
  H     15.33204795      9.08454271    -17.69667305
  O     17.73708258      9.28949518     -9.78795370
  H     16.00807941      4.91755556    -12.17484277
  H     14.57552954     11.47570908    -11.80844825
  O     15.72302752      8.66347021    -18.48020637
  H     12.57914175      7.87485239    -14.16458397
  H     15.71487398     11.86855834    -10.85900876
  O     15.45007652     11.88359079    -11.78912730
  H     14.08561671      7.89897320    -13.84372592
  H     18.62417346      7.61424247    -17.46234205
  O     18.44590839      8.55941880    -17.54568854
  H     15.02091504      5.53054956    -16.26717290
  H     17.59982197      8.62702602    -18.00695255
          69
 Energy    -248.08352709602980     
  O     -0.96497649     -1.70817210     -0.90283433
  H     -1.06913633     -1.29479686     -1.75526406
  H     -3.48216682     -6.62096860      0.16805975
  O     -3.79382892     -0.60560828      7.06678248
  H     -1.79147639     -2.19339500     -0.72401050
  H      0.03534749     -5.65002925      0.41575842
  O      2.58451907     -0.81706888      2.09780174
  H     -4.44457453     -1.31649796      7.01941783
  H      0.00348289     -6.55418293      1.67120106
  O     -2.11740423     -0.55610556      3.36999912
  H     -2.96225616     -1.01078055      6.77855736
  H      2.28392869     -1.89229929      3.54434817
  O      0.82970319     -2.89624566      6.56636184
  H      1.65411876     -0.65604729      1.85222284
  H      2.50405916     -3.38511808      3.92652828
  O     -5.39604627     -2.89948625      6.41393015
  H      3.04464574      0.01037003      1.99003071
  H      0.35167388     -3.10343031      3.27856444
  O     -1.66234958     -1.87933809      5.81649523
  H     -2.66836604      0.10487506      3.80861165
  H      0.00619431     -4.58380805      3.03872458
  O     -0.39194859     -5.43630032      5.85440350
  H     -2.73109844     -1.12805347      2.88538873
  H     -3.01745012     -5.11933592      2.21312628
  O     -5.76199845     -1.22811704      4.08581324
  H      1.39743619     -2.67598357      7.30020043
  H     -2.00184307     -4.18889160      2.93236932
  O     -0.00312911     -0.47453451      1.49665288
  H      1.33703627     -2.73257508      5.75236701
  H      4.11545780     -5.32674953      3.35512806
  O      0.69784031     -6.19680642      3.42790005
  H     -6.02784166     -3.44355738      6.87740068
  H      3.26804756     -4.47751111      2.37606524
  O     -2.99700764     -5.88679446      0.53459081
  H     -4.64090111     -3.47213938      6.20137164
  H     -3.74971895     -3.04115002      2.51847311
  O     -0.36213758     -6.45172266      0.78337231
  H     -0.76341461     -2.12109330      6.06793928
  H     -4.75840426     -1.87545623      2.75248156
  O      2.03474259     -2.57772966      4.17770417
  H     -1.65514780     -1.46805916      4.94181302
  H      3.06144338     -2.49716235      1.26847895
  O     -0.28147262     -3.67875027      2.83903358
  H      0.05289583     -4.64926460      6.19045143
  H      2.27898059     -3.62212678      0.57034805
  O     -2.89572804     -4.56049256      2.99043373
  H     -1.33397870     -5.23685569      5.89946448
  H      0.18780147     -3.70714315      1.07119084
  O      3.25219414     -4.94045250      3.23430307
  H     -5.72667405     -1.79577853      4.86566626
  H      0.08156199     -3.16100600     -0.36510126
  O     -4.04169828     -2.18292121      2.17938391
  H     -5.29264799     -0.41884939      4.32258667
  H     -4.24548228      1.86380639      5.03973301
  O      3.11916477     -3.42455096      1.00886856
  H     -0.71991728     -0.44308536      2.14321347
  H     -3.94887526      0.50138081      5.71067579
  O      0.50702599     -3.84412985      0.16589086
  H     -0.37096407     -0.83663500      0.68166742
  H     -2.57954736     -3.44030273      5.77342996
  O     -4.01205173      0.95855614      4.85307786
  H      1.62151452     -5.91500057      3.42893592
  H     -3.12590696     -4.48507385      4.76821558
  O     -3.08654017     -4.26468896      5.71099655
  H      0.34795791     -6.08411430      4.32588939
  H     -3.13536921     -4.05609658     -0.11702304
  O     -3.17511378     -3.10930522     -0.29274691
  H     -2.06332802     -6.16051742      0.57954805
  H     -3.58880175     -2.70522647      0.48379696
          69
 Energy    -248.08327802483612     
  O     11.58647919     11.47511370    -11.33028691
  H     12.03680622     12.31294940    -11.49501050
  H     13.57499107      7.20386316    -14.20683857
  O     13.07629639      8.94470774    -16.79919210
  H     11.91653690     11.12455919    -10.49079772
  H     16.10404044      8.92715259    -11.52719168
  O      9.43378894     10.96760324    -14.93297048
  H     14.00952532      9.01392288    -16.52460249
  H     14.85173755      8.06803053    -11.20388664
  O      8.58504682      9.13426608     -9.87868495
  H     13.07666323      8.62032938    -17.69551117
  H     10.11987087      6.58513820     -8.61925120
  O     13.23341179     13.67549953    -11.81928835
  H     10.34902030     11.14108367    -15.20172075
  H     10.53171494      7.75953146     -7.70990734
  O     15.58988387      9.04599951    -15.80871713
  H      8.89191700     11.55967281    -15.44879174
  H     14.30606568     12.58912004    -10.62920059
  O     13.97938172     13.21628517    -14.40137895
  H      8.62996942      8.17604262     -9.98407602
  H     14.11232981     11.44547606     -9.60264468
  O     16.82149407     10.66584368    -11.29187439
  H      8.77404576      9.49960410    -10.75355312
  H     13.26112390      7.23336406     -9.73815553
  O     13.16171807      6.02582398     -8.46220802
  H     13.14122504     14.61434681    -11.67982994
  H     12.44915519      7.78599335    -10.95499843
  O     12.14712045     11.28910364    -15.52566979
  H     13.50246404     13.55706466    -12.74682005
  H      9.91854057      6.70585943    -10.98358261
  O     13.17813129     10.15079885    -13.21778508
  H     15.76381348      9.79618420    -15.22421711
  H      8.84347025      5.63728340    -10.68362053
  O     12.68548590      7.57142277    -14.30685619
  H     15.65349089      8.25844087    -15.25346417
  H     11.48650993      7.41250014    -12.94019442
  O     15.68471638      8.07616181    -11.69540126
  H     13.33713241     12.77396173    -14.96855405
  H     10.48614767      8.38724032    -12.24857311
  O     10.62674633      6.80699601     -7.82725066
  H     14.71711123     12.59619244    -14.30872654
  H     15.83190008      5.99110833    -14.00871999
  O     14.78078594     11.95943172    -10.07396999
  H     16.11481248     11.14006908    -10.81785976
  H     15.54175095      7.26525526    -13.17861921
  O     13.21573678      7.94821586    -10.39235250
  H     17.63656000     10.86609488    -10.84007268
  H      9.40855685     10.25544484    -13.26654478
  O      9.28870973      6.39439852    -10.31189651
  H     13.61499048      5.61064326     -7.73399077
  H     10.21612062     10.57866469    -11.98240335
  O     10.99427962      7.57140326    -12.12401490
  H     12.26927339      6.24171834     -8.14072706
  H      9.62925447      9.55440294     -8.54033396
  O     15.37285804      6.82573920    -14.03324539
  H     12.47427189     10.98064062    -14.66629064
  H      9.77899494     10.10716758     -7.10435496
  O      9.58354686      9.95188264    -12.36624038
  H     12.40793228     10.59666709    -16.14583985
  H     16.24763318     10.99624546    -13.06133533
  O     10.25742547      9.67134752     -7.80505273
  H     12.62849875     10.46941673    -12.49239683
  H     14.82883969     10.70536794    -13.58360463
  O     15.69413698     11.06027744    -13.84784531
  H     12.96168523      9.23091229    -13.40735495
  H     12.92865572      9.47688038     -9.49401683
  O     12.67886806     10.31960912     -9.08471201
  H     12.64994284      7.96580949    -15.18703263
  H     11.90791670     10.14172898     -8.53168490
          69
 Energy    -248.08322933256460     
  O      9.89555057     12.68799128    -10.24631664
  H      9.85062145     12.33873815    -11.14425546
  H     13.07453672     12.96865779    -12.75310674
  O     11.47401018      6.86652769    -15.25700724
  H     10.61983004     13.33201627    -10.22597868
  H     16.72193115      9.83178843    -10.86293915
  O     10.65387808      8.49239653     -9.02005311
  H     10.63641723      7.17222622    -14.86444033
  H     15.97669030      8.57439025    -11.47544159
  O     13.06729335      7.97445535    -13.20788614
  H     11.30491368      6.01114397    -15.64160066
  H     14.44791601      7.37359371    -10.41321400
  O     13.11160712     11.96485965     -8.56791436
  H     10.52772646      9.39665143     -8.68780049
  H     14.27923854      7.32109570    -11.94372104
  O     11.83561248      9.55199583    -16.21193933
  H      9.98970713      7.94850699     -8.60347034
  H     14.34715745     15.21334211    -12.53011535
  O     10.77905746      8.87477475    -11.83610699
  H     12.60946810      7.46947376    -13.89189279
  H     14.87465010     13.89234753    -11.92385322
  O     15.18323105     10.25356168     -7.79015271
  H     13.45874655      8.74144026    -13.64855034
  H     12.54407496      8.28274401     -8.97415297
  O     13.78426653     10.55889075    -10.90145024
  H     13.36630468     11.52815908     -9.39567918
  H     13.53058018      9.12727138     -9.79717082
  O     16.27229269     12.85209633    -11.72732600
  H     12.23159959     11.63737162     -8.34646689
  H     16.61976412     10.30802082    -13.12411033
  O     10.38807573     11.09673776     -8.16494204
  H     12.65137675      9.84046796    -15.78157754
  H     17.50492475     10.75553781    -14.31402925
  O     12.77498920     12.08506241    -12.99727728
  H     11.77581555      8.60239427    -16.05023424
  H     10.33052582     10.54267335    -12.37446248
  O     16.34292242      9.45087519    -11.66517586
  H     11.63153997      8.58001886    -12.18621256
  H      9.79842352     11.25255381    -13.64281751
  O     14.91997454      7.17582353    -11.23290195
  H     10.75458794      8.68095141    -10.89306447
  H     14.95322778     10.46338646    -14.50469623
  O     14.06763120     14.40387891    -12.11066278
  H     14.70953987      9.46085406     -8.07254262
  H     13.55053438     10.95132626    -14.08550760
  O     13.48296421      8.40421899     -9.15146739
  H     14.52116998     10.95806294     -7.82527164
  H      8.98216404     10.94839503    -16.08401480
  O     16.67824608     10.93165325    -13.87208466
  H     14.64873392     10.27386317    -11.22043767
  H     10.32293908     10.27738684    -15.70305124
  O     10.11855897     11.41271579    -12.74667776
  H     13.38218579     11.07154833    -11.61354169
  H     17.91997333     11.21879999     -9.05961504
  O     14.01591181     10.25192421    -14.57131779
  H     16.53250033     12.33800085    -10.95471483
  H     16.44880317     10.79284104     -8.86971432
  O      9.46586136     10.57794745    -15.35078897
  H     16.45432453     12.30029521    -12.49783687
  H     12.59527779     13.59544252     -9.39258737
  O     17.10640050     11.06598478     -9.53314253
  H      9.96230947     11.47326785     -7.39917446
  H     12.82557477     14.41107544    -10.67461667
  O     12.17789808     14.23761328     -9.98222052
  H     10.14454810     11.65816868     -8.92559877
  H      9.17177878      8.84555325    -14.52543592
  O      9.30538334      8.00290910    -14.07396505
  H     11.81398013     12.02594540    -12.91387463
  H      9.68158159      8.22879880    -13.21174804
          69
 Energy    -248.08322193623582     
  O     -1.31950282      4.95996838      3.75985519
  H     -1.47823204      5.76146153      4.25146932
  H     -2.41865852     -3.42818212      4.71672805
  O     -2.54914182      3.62501550      1.54400359
  H     -1.18564653      4.25107399      4.41505337
  H      0.06625706      2.42289768      2.19111435
  O     -0.72339891      2.88185059      5.40756310
  H     -2.27939293      4.21507919      2.25638776
  H     -0.92603245      1.35547310      2.75535265
  O      0.88980398     -3.53892234      2.28563832
  H     -1.90417954      2.89986314      1.56089976
  H     -2.89741262     -0.69054935      1.51744129
  O      0.38647700      0.15976139     -0.03254829
  H     -1.20103670      2.09113872      5.11475198
  H     -3.96339894      0.30719725      2.03288827
  O     -1.98780668     -1.24905216      0.04202759
  H      0.20798827      2.63951011      5.38153729
  H     -2.33585944      0.14080003      3.65168399
  O     -4.67070951      1.88245686      1.28140253
  H      1.40046686     -2.74594570      2.07574352
  H     -0.92676225     -0.02954486      4.32286500
  O     -3.31342044      0.98150531     -1.12616082
  H      0.85245810     -3.58638004      3.24837709
  H     -0.25871744     -3.49227904      5.33723721
  O      1.00087172      2.41238189     -1.59593093
  H      0.00880250      0.72026394      0.66705160
  H      1.15804521     -3.93682620      5.77661618
  O      2.01939949     -0.98565276      1.87863529
  H      0.67472105      0.76997988     -0.72016338
  H     -0.59566519     -3.76688384      1.41537203
  O     -3.12692902     -3.10774504      3.15831292
  H     -1.82875748     -2.17972376      0.24135644
  H     -1.44049056     -4.68958259      0.50515176
  O     -1.96482701     -3.57641604      5.56453572
  H     -1.12160701     -0.83062380     -0.06616390
  H      3.43376048      1.78886810      1.73154378
  O     -0.57346312      1.74299464      1.94378732
  H     -4.00107131      2.57674488      1.40025840
  H      4.71189552      1.23471034      2.40387970
  O     -3.40977150     -0.43594196      2.29962239
  H     -5.52205704      2.31037165      1.32453431
  H      1.13393256     -0.80455146      3.47090324
  O     -1.68209450      0.56799357      4.22120131
  H     -2.92898913      0.13584388     -0.86206175
  H      0.78076520     -1.58526977      4.75942046
  O      0.69184846     -3.39053568      5.14989563
  H     -3.90881461      1.23193165     -0.41032777
  H      1.48658470      0.99003901      4.60442245
  O     -1.45198439     -3.85123634      0.95920134
  H      0.09069773      2.72838365     -1.44840819
  H      2.65868997      1.69365967      3.92415510
  O      3.75987630      1.18373261      2.42258197
  H      1.20573326      2.59141818     -2.50959837
  H      0.35822610      4.39507770      3.04631685
  O      0.76103237     -0.70788819      4.35906776
  H      1.49851357     -0.64278275      1.13790208
  H      1.39116484      3.29847671      3.45458619
  O      1.90809534      1.85625927      4.51067745
  H      2.71733342     -0.34076104      2.04547924
  H     -1.89527102      3.58832525     -0.35814165
  O      1.09802590      3.86565823      2.72582214
  H     -3.38153879     -2.20591282      2.92568002
  H     -2.15527167      2.37871471     -1.26548601
  O     -1.56587439      3.13890104     -1.14219203
  H     -2.62339561     -3.44357043      2.40677221
  H      2.16310003      2.79123076     -0.14214182
  O      2.70015777      2.92590364      0.64732214
  H     -2.63515490     -3.50638213      6.23832453
  H      2.16193107      3.44232276      1.26352935
          69
 Energy    -248.08309447451495     
  O     12.29600485     10.04004169    -15.63649212
  H     13.02395208     10.66626708    -15.72718072
  H     20.31370963      7.75941201    -15.32680648
  O     16.22410160      5.83601025    -13.15121659
  H     12.58582162      9.24415645    -16.10398532
  H     15.61061990     11.93628256    -15.95400733
  O     17.42341151     10.24068707    -12.00422080
  H     15.51223370      5.93028078    -12.50357784
  H     15.06721440     10.70035654    -16.67949524
  O     17.21558443     12.64039409    -15.68098110
  H     16.97092206      6.36703284    -12.83831973
  H     15.57453071      7.30080004    -14.03825158
  O     13.22694857      5.07294439    -16.06076701
  H     17.31456511     10.33108370    -11.05016145
  H     16.17124366      8.10671891    -15.20182973
  O     14.50923243      9.18122921     -9.05855118
  H     16.56848893     10.42660737    -12.41878571
  H     10.33046584      8.94381909    -13.41518334
  O     14.10053909      6.47109995    -11.48112572
  H     17.81458707     12.00461851    -15.25440508
  H     11.60804681      9.28118530    -14.21630681
  O     15.03240462     10.47325474    -13.36202369
  H     17.66583553     13.48028583    -15.65716320
  H     18.00933292      7.32694879    -10.55935679
  O     15.24919009      6.39978058     -8.94133201
  H     12.70153061      4.30951732    -16.28324450
  H     17.61294907      8.31834691     -9.44657357
  O     17.36264885      7.61116482    -16.55874198
  H     12.91631020      5.38234365    -15.18980438
  H     11.94908405      6.96574802    -13.67239652
  O     16.12327061      5.23499084    -15.91193994
  H     13.99420302      9.25623858     -9.87339435
  H     12.93212410      6.07016885    -12.89559637
  O     19.50671830      8.08151762    -14.93302864
  H     14.62779112      8.23669655     -8.90003664
  H     18.43394196     10.72351486    -13.48470808
  O     14.81958288     11.38156961    -16.04455239
  H     14.41380570      6.31712872    -10.58111718
  H     19.13973496      9.96547476    -14.62056077
  O     15.44445228      8.09864630    -14.56578864
  H     13.88534898      7.41317715    -11.53690151
  H     18.80175148      7.66542627    -13.21688234
  O     11.26481385      8.75985447    -13.46927992
  H     15.17470137      9.58471968    -13.73110847
  H     17.92094427      8.51150326    -12.27941406
  O     17.67974682      7.37749654     -9.65342353
  H     14.91926637     11.02667500    -14.14154746
  H     16.10319854      9.87920339     -9.13726460
  O     12.39732964      6.11208246    -13.69858058
  H     15.32980383      5.78212845     -8.21998926
  H     17.22623783     10.74384534     -8.51408365
  O     18.80937251     10.83418448    -14.36903997
  H     16.15325055      6.67190269     -9.18272005
  H     14.74575933      8.66713040    -17.63538579
  O     18.25048484      7.61219435    -12.42730055
  H     16.94817021      6.73625166    -16.47229697
  H     15.29621603      9.42342486    -18.86870635
  O     17.03448846     10.14836726     -9.23322773
  H     16.85371065      8.13945724    -17.18465101
  H     13.90929312      9.73690835    -12.15107169
  O     15.47972313      9.21989925    -17.95456801
  H     16.23679424      5.25709355    -14.95090636
  H     12.52415209      9.06172797    -12.12925042
  O     13.33312247      9.17378275    -11.61475961
  H     15.17969580      5.09477710    -16.05116281
  H     13.35813856      6.83700778    -16.63135926
  O     13.59543511      7.77106993    -16.61970518
  H     18.79422315      7.89958076    -15.56934549
  H     14.14530905      7.88750517    -15.82787895
          69
 Energy    -248.08302993553997     
  O     13.09126747     14.08816866    -14.22964466
  H     12.38656829     14.70843293    -14.40791880
  H     16.64360739     11.97997695    -17.36750826
  O     16.10832621      8.76051448    -17.50293043
  H     13.28287047     13.64428975    -15.06892742
  H     12.96074476     12.90762748    -17.43788941
  O     15.45322082      9.13908355    -11.38289629
  H     15.42452001      8.40757389    -16.90939518
  H     14.32432990     12.37007919    -16.95977032
  O     14.36733032      7.98106843    -15.52423904
  H     16.14879541      8.17828735    -18.25748740
  H     18.55569781     13.02160717    -13.42990997
  O     14.25874652      6.71739689    -10.61044030
  H     16.04873653      9.89056070    -11.26094558
  H     19.52202319     11.84752748    -13.61046966
  O     15.28234131      5.15276220    -12.57497308
  H     14.59107854      9.49427194    -11.64263306
  H     13.03575822     13.09240047    -12.58438040
  O     16.05352957     11.20022544    -14.10518258
  H     13.96520072      8.84511769    -15.35119942
  H     12.95788088     11.75655660    -11.80111004
  O     12.91515527      9.96047566    -12.24198863
  H     15.02451977      7.83728847    -14.82661220
  H     17.31376343      9.05319536    -16.09531536
  O     16.29655742      7.59594627    -13.52978111
  H     13.35734389      6.92628306    -10.88438468
  H     17.38615602      8.56367250    -14.61898248
  O     19.95869887     10.82960946    -15.20014171
  H     14.75088575      7.54765785    -10.67967333
  H     13.71357319      5.60038361    -13.60934536
  O     13.54254296     10.52478359    -14.87001688
  H     15.60785289      4.31225541    -12.26541882
  H     13.31716533      6.64746671    -14.66916391
  O     15.75804666     11.62965910    -17.54644409
  H     14.94120510      5.62904269    -11.79551945
  H     14.55227241     13.27683979    -10.92345852
  O     13.46050698     12.70290341    -16.65207984
  H     16.31735808     11.26158432    -13.17673924
  H     15.26696550     13.96383295     -9.73239404
  O     19.08298722     12.37806594    -12.93589234
  H     16.68098073     10.61377889    -14.54545568
  H     16.72700150     12.92083128    -14.47647708
  O     13.12220029     12.70348465    -11.70561874
  H     13.00736612     10.12077015    -13.19269847
  H     16.68381619     14.40625891    -14.04950039
  O     17.75047736      9.20346194    -15.24720535
  H     12.42453739      9.13723618    -12.12871884
  H     16.51375224     12.21735860    -11.11423587
  O     12.95516967      6.05357499    -13.99911317
  H     16.11117323      6.68797245    -13.26169144
  H     17.80575361     11.73729082    -11.85646918
  O     15.41146751     13.61129887    -10.60653104
  H     16.05014640      8.16282015    -12.78355149
  H     10.90700992      7.08440162    -11.77537177
  O     17.20790214     13.75821493    -14.53822577
  H     20.76157271     10.35332216    -15.39628972
  H     12.12986273      6.90827453    -12.70764011
  O     16.96357958     11.44284090    -11.47650027
  H     19.23868509     10.17673051    -15.20431320
  H     14.64029518     14.90502185    -13.41442744
  O     11.79020729      7.40328082    -11.94106001
  H     14.43404504     10.78422320    -14.57801877
  H     15.50456214     14.77689473    -12.14574040
  O     15.45547305     15.21758649    -13.00319395
  H     13.28647181     11.18043316    -15.52610958
  H     18.94060533     12.03159398    -16.39780219
  O     18.25131828     12.56670060    -16.80479316
  H     15.85469045     10.67568937    -17.62737862
  H     17.96023563     13.17306649    -16.10735400
          69
 Energy    -248.08297953931628     
  O      1.49165874      1.54527280      1.85541156
  H      1.68788444      1.17051030      2.72909172
  H      4.69861844      2.29697695      5.40145090
  O      4.32329674     -1.25136514      2.36093130
  H      1.07481560      0.85602130      1.32502001
  H      2.42729239      3.53763581      5.73314248
  O      4.28064471      4.04331745      5.93541590
  H      4.74877678     -1.17831978      3.22543821
  H      1.52495062      3.64862995      4.49935522
  O      1.80685783     -2.33193908      2.22856350
  H      4.25843938     -0.37824746      1.95060065
  H      7.07091106     -3.21992224      1.67975143
  O      4.51586146      4.57756721      3.28081388
  H      4.73564289      4.66681893      6.49436604
  H      6.55496054     -4.19228157      2.75336475
  O      7.76097216      0.28178380      1.46384857
  H      4.40941641      4.33909381      5.01553114
  H      5.84698259     -2.30636644     -0.19575575
  O      4.89352337     -4.99301846      3.28925858
  H      1.33060377     -1.81007704      1.57213925
  H      5.60406563     -1.76092129      1.22027390
  O      4.47973037     -3.13830677     -1.18422702
  H      2.71336550     -1.98222802      2.27180633
  H      4.53202567     -2.57785277      5.20852965
  O      1.74890730      4.16523413      2.61696395
  H      5.06485985      3.89881750      2.86773596
  H      3.02596692     -2.89922964      5.21676324
  O      3.38576166     -4.34813251      0.98205584
  H      3.61930769      4.46450535      2.94052937
  H      1.80312402      1.47723926      4.88721240
  O      2.99290660     -0.70835014     -1.03664367
  H      7.27986647     -0.45508659      1.05203095
  H      1.81321987     -0.10861620      4.74135643
  O      4.78044357      1.47417642      4.90528708
  H      8.52140974      0.44950683      0.91129796
  H      4.72320365      1.60879266      1.31761959
  O      1.59628308      3.21660036      5.35982785
  H      4.98493953     -5.85586751      3.68635143
  H      3.18711518      1.38383965      1.16078907
  O      7.34719045     -3.73342904      2.44934138
  H      4.51973539     -4.41299418      3.97559873
  H      8.11943351     -0.79705984      3.09064161
  O      6.29363387     -1.88912558      0.54928578
  H      4.08770227     -3.62133252     -0.43368130
  H      7.94522389     -2.29667550      3.41284069
  O      3.89562559     -3.30867083      5.18059868
  H      4.53555998     -3.75448274     -1.90927675
  H      0.53767760     -2.35189314      5.20719376
  O      2.15017044      0.72164669      4.38695690
  H      1.18417982      4.76310680      2.13293695
  H      1.41452827     -2.14522128      3.94799034
  O      4.05460902      1.08591010      0.85590619
  H      1.58921653      3.27745139      2.25629735
  H     -0.09025183     -0.77286627     -0.29968831
  O      8.06943231     -1.42455595      3.81915955
  H      3.93635582     -4.63751652      1.72146542
  H      1.45686682     -0.67844637     -0.27373668
  O      1.33729274     -1.93522120      4.89545191
  H      2.69833490     -3.79644935      1.37455974
  H      5.41445244     -0.21957041      5.06312713
  O      0.65397229     -0.63372874      0.27918679
  H      3.51598537     -1.51078051     -1.14909490
  H      6.50315925     -1.24757095      4.60429909
  O      5.57446603     -1.15033619      4.86412847
  H      3.52982644     -0.08642863     -0.52654160
  H      5.64320972      1.91530947      3.34392644
  O      5.95564588      2.23183186      2.48299747
  H      3.88007021      1.18395275      4.69588809
  H      6.66116701      1.63880366      2.19497483
          69
 Energy    -248.08282474649798     
  O     -3.92686119      8.50680300      6.75742368
  H     -4.49982105      8.11535656      6.08796942
  H     -1.25773291      9.07550131      5.04297862
  O     -6.06133942     11.59740853      1.72963735
  H     -4.43249438      9.19369188      7.20942031
  H     -3.91755421     13.12606479      6.72721448
  O     -1.02229913     12.08602187      6.66554424
  H     -6.22897660     11.05918817      2.52054089
  H     -4.03636759     12.16268384      7.92507159
  O     -6.12466504     10.00224046      3.98774279
  H     -6.90414550     11.71105421      1.29666869
  H      0.22714928      8.05024826      3.23093917
  O     -3.28674235      7.71127984      2.77965531
  H     -1.12489893     11.15367363      6.42854550
  H     -0.54189944      9.37536721      3.01559090
  O     -3.87253409     13.53450183      1.32022480
  H     -1.86358486     12.36626022      7.05130652
  H     -6.16535860     12.49362830      5.72378142
  O     -2.82739280     14.85446706      3.58212530
  H     -5.21363130     10.30943708      4.12266036
  H     -6.74903611     11.12264696      5.36008457
  O     -5.34393761      7.37640678      4.51011521
  H     -6.08612957      9.04842379      4.12492156
  H     -0.79871946     12.81186469      5.03751202
  O     -3.70991748     10.05625901      1.33818147
  H     -2.35556456      7.82464708      3.00279757
  H     -0.04895369     13.96438241      4.32229629
  O     -1.99102645     11.95448074      0.18703874
  H     -3.48992147      8.43494157      2.17012720
  H      0.09588578     13.44838511      7.32764168
  O     -0.52271780     11.01495191      2.43107361
  H     -4.65597420     13.04189425      1.58733746
  H      0.72484041     14.72102876      6.73223210
  O     -1.66860233      9.60661784      5.73451897
  H     -3.59922404     14.07736316      2.07152742
  H      1.32818457     16.21045612      4.60656665
  O     -3.53133928     12.91160648      7.58999638
  H     -2.11311345     14.21327855      3.72068645
  H     -0.14335007     16.10341335      5.06485305
  O     -0.60755289      8.48018745      3.39608026
  H     -2.58231419     15.63397566      4.09310162
  H     -5.79590472     10.57063677      8.86361149
  O     -6.74546821     11.79427767      6.05510844
  H     -4.59084668      7.43921185      3.89370836
  H     -5.87507433     11.07060124      7.40250504
  O     -0.64318450     13.21912175      4.17200089
  H     -5.65350548      6.47573472      4.47298574
  H     -2.10212349     17.70111652      5.53330388
  O      0.44463357     14.32063004      7.56252022
  H     -4.55420815     10.52412385      1.31685351
  H     -1.99673070     16.31783906      6.21980634
  O      0.67395264     15.59718925      4.93234548
  H     -3.08752241     10.58659066      0.82547261
  H     -1.22126741     15.07931899      7.78581732
  O     -5.27986613     10.68488779      8.06917003
  H     -2.63064579     12.59312242      0.55211976
  H     -2.69714952     14.62672553      7.78938016
  O     -1.82302452     16.80116653      5.38961788
  H     -1.76914406     12.25510036     -0.68952351
  H     -2.88032463     10.50585297      4.66199954
  O     -2.12850640     15.39309684      7.65301581
  H     -0.90768389     11.33502288      1.60727567
  H     -3.33144187     10.70846283      3.18436015
  O     -3.52588124     10.94859848      4.09716511
  H     -0.51330928     11.77248314      3.03151959
  H     -4.20395776     12.46736456      4.71471132
  O     -4.57979677     13.29352035      5.05835282
  H     -2.38977597      9.10238476      6.14313809
  H     -4.11204170     13.99541481      4.59181427
          69
 Energy    -248.08254453954299     
  O      1.40116690      4.18082047      7.31525243
  H      1.35391071      5.14460914      7.36324857
  H      0.74236017      7.06108894      6.16396050
  O     -2.07035289      1.10982142      7.56110447
  H      0.49301975      3.87739079      7.17706766
  H     -1.86177273      3.26695899      3.72170009
  O      2.22310589      3.75799007      4.71446534
  H     -2.65024582      1.18221083      8.31474333
  H     -0.88033357      4.46358264      3.59548433
  O      1.87191028     -2.27396098      6.80531899
  H     -1.83022384      2.01738677      7.30460824
  H     -2.41574402      5.71967529      4.49775160
  O     -1.72927128      1.56620975      3.30749044
  H      2.07202144      3.94775014      5.64990333
  H     -3.42118660      6.88326510      4.33965852
  O      2.16341439     -0.17948924      2.88797422
  H      3.15905391      3.56689809      4.57587386
  H      4.03638352      2.39596240      2.53071363
  O      0.50517924      0.08921623      7.05700726
  H      1.34935097     -1.46660132      6.94191829
  H      3.13217718      1.21159050      2.13166465
  O      3.62634375     -1.68557938      4.79059268
  H      1.97028535     -2.67127423      7.66727371
  H      1.28394553      4.58733126      3.49696868
  O      0.16590827      7.19421430      4.51479755
  H     -2.08810013      0.83011632      3.82077116
  H      0.84741469      4.49793621      2.01663642
  O      1.37369729      3.29265608      0.67843525
  H     -1.26188567      1.22369500      2.53066214
  H     -1.40038805      3.72383239      5.81651442
  O      2.74335751      1.68975309      7.78153122
  H      2.68889396     -0.79610029      3.40975142
  H     -1.56780323      4.45073694      7.17277313
  O      0.94471426      6.94804696      7.11006666
  H      1.67594405      0.35479330      3.53366209
  H     -2.42637059      0.11971347      5.99115265
  O     -1.68309900      4.16198618      4.04442443
  H      0.61179527      0.53077833      6.19850947
  H     -1.98481495     -1.15912580      5.27148077
  O     -2.62896292      6.61957060      4.80029194
  H     -0.35747443      0.35722206      7.39090773
  H      1.25361928      2.22187163      4.65491435
  O      3.48949389      2.05290173      1.81494821
  H      4.24769501     -2.40083578      4.67852616
  H     -0.09095585      1.54534971      4.20440622
  O      0.67952961      4.97006552      2.84058176
  H      3.00970965     -1.95800715      5.49094061
  H      0.71397728      0.31198705      1.68670372
  O     -1.31698310      3.60469675      6.77202176
  H      0.42326806      6.55924207      3.83380590
  H      0.38118174      1.65798076      1.01632525
  O     -2.48998749     -0.35640872      5.15102265
  H     -0.79855926      7.16908446      4.54692679
  H      4.23034828      0.01752428      5.48707139
  O      0.74256381      1.40195364      4.67018277
  H      1.57083547      3.49862491     -0.23184970
  H      3.93528718      1.13872495      6.52866212
  O     -0.01158408      0.82704101      1.31157823
  H      2.18091034      2.89637965      1.05539243
  H     -2.19909371      6.46169180      6.66816631
  O      4.49961738      0.89372672      5.78001053
  H      2.38496142      2.58547502      7.76634913
  H     -0.91542391      6.54805214      7.51567103
  O     -1.81269421      6.19155043      7.51189469
  H      1.97934931      1.10660379      7.69168037
  H      5.70106042      3.35786580      4.27889092
  O      4.83545455      2.97995736      4.15480827
  H      1.40053516      7.73754290      7.38935313
  H      4.77993035      2.19881530      4.73747022
          69
 Energy    -248.08246539592045     
  O      0.53709052      0.02104759      2.36742539
  H      0.75867642     -0.45331272      1.55905717
  H     -3.39235101      0.35382027      5.00974149
  O     -2.09780795      0.10238786     -3.32600557
  H     -0.43340169      0.06103588      2.38365039
  H     -1.66493126      1.54262609      5.47244164
  O     -0.27466074     -1.29026361      4.84509925
  H     -1.93265168      0.50357569     -4.17507267
  H     -1.85628021      1.04083469      6.92711665
  O     -4.14851436     -0.19675466     -1.39066891
  H     -1.42819613      0.45499371     -2.71391476
  H      0.31885685      3.69191442      1.91702241
  O     -1.26871308     -2.42404504     -2.20573030
  H      0.16209127     -0.88901962      4.08515774
  H     -1.12047992      4.10221228      1.54665384
  O      0.30818006     -1.49657148     -0.09347879
  H     -0.78470743     -0.59113209      5.27320206
  H     -3.22377994      1.02586908     -0.41526020
  O     -2.86225259      3.33307039      2.13530230
  H     -3.61001803     -0.06464124     -2.18070302
  H     -1.73758120      1.44218416     -0.39544493
  O     -4.34729808     -2.65792066      3.82066507
  H     -3.91379870     -1.07376764     -1.05107714
  H     -2.84765445     -0.05275294      2.92862621
  O      1.22898640      2.56283791      3.12179770
  H     -2.05497210     -2.69209559     -1.71428211
  H     -2.42856651      0.44911650      1.50170154
  O     -0.32040360      0.91781706     -1.40260757
  H     -1.55076587     -1.67888492     -2.74916445
  H     -2.78026812     -2.80842069      0.28888350
  O     -5.33693937      2.06749203      2.86533327
  H     -0.04070427     -1.84681539     -0.92740431
  H     -4.30814184     -2.81175039      0.15807342
  O     -4.02525443      0.05963215      4.34126494
  H     -0.20067580     -1.97976004      0.57335888
  H     -1.83845319      2.99885411      3.64434200
  O     -1.90545951      0.76815997      6.01507997
  H     -2.73082169      2.79372059      1.33989897
  H     -0.36697860      2.79302505      4.07157211
  O     -0.20488622      4.16168050      1.25420513
  H     -3.74180852      3.08918261      2.44592003
  H      1.58998321      3.90350324     -1.36333688
  O     -2.57545799      1.54869026      0.07400594
  H     -3.48386860     -3.03680757      4.02035199
  H      0.59852334      3.61613411     -0.22222624
  O     -2.19228078     -0.14119332      2.22816782
  H     -4.30807334     -1.73219044      4.09975705
  H     -1.14612552     -2.78041660      4.53288884
  O     -3.49665123     -2.71671068     -0.35648695
  H      1.06611499      1.65200802      2.82339935
  H     -1.31982716     -4.29471014      4.79399352
  O     -1.27379777      2.79138093      4.40071153
  H      2.15000349      2.61438779      3.36317729
  H     -1.51821174     -3.20205607      2.43252984
  O      1.07148873      3.20851688     -0.96757409
  H      0.27149602      1.67566349     -1.28810008
  H     -1.84607686     -1.82108079      1.83002986
  O     -1.65843840     -3.56827463      4.27787762
  H      0.01737166      0.16088034     -0.90673681
  H     -6.43852735     -3.20444280      1.54119517
  O     -1.53923518     -2.71451896      1.60257562
  H     -6.17292057      2.50043680      3.01899621
  H     -5.19436654     -2.70787936      2.31387156
  O     -5.66635589     -2.65034738      1.46356340
  H     -5.48835857      1.41908882      2.15330953
  H     -5.77218148     -0.76766807      1.20061562
  O     -5.71209537      0.16378708      0.95414079
  H     -4.50766812      0.82433153      4.00287859
  H     -5.34659910      0.16366264      0.06124958
          69
 Energy    -248.08217459354304     
  O     -4.05361779      0.90375362      0.96659802
  H     -4.25454664      0.09327760      1.46015292
  H      0.89234681     -2.26996718     -1.12346063
  O     -4.27195883     -3.52587622      6.23084864
  H     -4.84345337      1.11112697      0.47258530
  H      0.81520247     -4.49813084     -0.03206748
  O     -2.02793539     -0.77940173      3.84133553
  H     -4.14315563     -4.45659339      6.00915065
  H      1.61418895     -4.90966413      1.22741027
  O     -4.34434785     -1.42478661      2.50039331
  H     -3.38871098     -3.13843258      6.28514118
  H      0.80721423      0.49685453      3.80015066
  O      1.08767305     -1.91145412      6.18723997
  H     -1.50471044     -1.36473930      3.26794737
  H      1.81875868     -0.60645286      3.45945364
  O     -3.84983512     -6.13761599      5.11191580
  H     -1.67687591      0.10369523      3.68487767
  H     -0.84973653     -3.28220598      2.21255086
  O     -1.64476682     -2.53093314      5.92902126
  H     -5.00611864     -1.76326686      3.11650230
  H     -1.03080088     -2.12118240      1.22306964
  O      1.46188867     -4.35247301      4.73280606
  H     -3.57162410     -1.17699866      3.02971309
  H     -1.34424327     -5.15577489      3.05312754
  O     -5.21426589     -5.05079484      3.01782554
  H      1.62503488     -1.64976001      6.93035115
  H     -0.66726283     -5.20093020      1.62472465
  O     -1.39609088      0.48207385      0.32410774
  H      1.20582423     -1.22821775      5.50340128
  H      1.07941994     -1.95344289      2.08165319
  O      2.93465720     -4.33843127      2.46989340
  H     -4.21682900     -6.99085227      5.32683805
  H      2.50152432     -2.55192845      2.11711980
  O      0.59323448     -3.15515330     -1.39731455
  H     -4.31550582     -5.82491725      4.31572998
  H     -3.86724912     -2.94296603      1.50254705
  O      0.84395413     -5.13584005      0.69158962
  H     -1.86529523     -1.86898724      5.25736267
  H     -2.92708255     -4.19809921      1.38877504
  O      1.45119729     -0.09944228      4.19748854
  H     -0.73693877     -2.33456528      6.19147407
  H      0.50860874     -0.07900050     -0.24480013
  O     -0.66777365     -2.34138056      2.09029610
  H      0.59952317     -4.77915762      4.81085393
  H      1.64634496     -0.90880459      0.39977623
  O     -1.47377671     -4.97382186      2.11391274
  H      1.40522082     -3.53845503      5.24780715
  H     -0.70097986      2.35556357      2.78227309
  O      2.02043524     -1.72220492      2.01681932
  H     -5.63306028     -4.27148652      3.40406695
  H     -0.79703446      1.07625708      1.92766838
  O     -3.66902387     -3.72921938      0.97283463
  H     -4.79448075     -4.74839525      2.20400134
  H     -2.54148717     -2.74635738     -0.17591601
  O      1.24011345     -0.67086258     -0.44682872
  H     -1.53905988     -0.38827770     -0.07558257
  H     -1.15247680     -2.62805518     -0.89963827
  O     -0.58925890      1.40845156      2.81670228
  H     -2.29448212      0.79772405      0.50446104
  H     -6.86876574     -2.43728789      4.77308824
  O     -1.85498470     -2.12986339     -0.46277956
  H      2.43031125     -4.38613646      3.30307206
  H     -5.42534102     -2.89990545      5.08483748
  O     -6.03363495     -2.65017752      4.36576131
  H      3.75977877     -4.79081196      2.62167783
  H     -1.40702894     -4.21977237      5.22788072
  O     -1.25597738     -5.11097375      4.88050460
  H      0.90943351     -3.28819698     -2.28744452
  H     -2.07933381     -5.59629283      5.01950800
          69
 Ord_Energy   -248.082169    
 O   -7.74009371      -3.49465775       1.90211415    
 H   -8.34253979      -4.16515732       2.25782132    
 H   -8.18371391      -3.10076857       1.13962817    
 O   -7.33341360      -4.45350409       5.57365799    
 H   -7.54849815      -5.24333763       5.06113720    
 H   -8.09962463      -3.86392856       5.57416582    
 O   -9.48020172      -2.69340324       5.62462044    
 H   -9.10931301      -2.07824683       4.97885084    
 H   -9.33453083      -2.34453607       6.51623583    
 O   -5.05751562      -6.71382904       3.94575095    
 H   -5.04173756      -6.03896236       3.25517583    
 H   -4.52495813      -6.36714315       4.67068815    
 O   -4.97918558      -3.35887337       4.62018490    
 H   -4.95879650      -3.63155723       3.69455242    
 H   -5.80842781      -3.70377040       4.99240828    
 O   -7.33620548      -5.67050457       8.06780338    
 H   -8.06955051      -5.29131699       8.57066441    
 H   -7.28871298      -5.18285227       7.22937965    
 O   -10.7689981      -5.94964886       7.08223724    
 H   -10.1657381      -6.66665459       6.85948610    
 H   -11.0456209      -5.53912449       6.25208807    
 O   -11.2776842      -4.48585606       4.73090124    
 H   -11.8677177      -4.02247190       4.12485552    
 H   -10.6862030      -3.80855751       5.10131264    
 O   -11.1588182      -4.43487644      0.778951824    
 H   -10.5814657      -3.80927324      0.324766845    
 H   -10.5829439      -4.95304203       1.35874486    
 O   -7.76239777      -6.93609238       4.29745626    
 H   -8.01101112      -7.39925623       5.10653257    
 H   -6.80333376      -7.01213264       4.17942047    
 O   -8.22672272      -1.26301050       3.64075971    
 H   -7.48750973      -1.01517260       4.21675730    
 H   -7.93366385      -1.99955130       3.08849096    
 O   -4.93139839      -4.24617672       8.28038502    
 H   -5.68306637      -4.84445381       8.38592625    
 H   -4.38346767      -4.63788891       7.59080458    
 O   -9.67582226      -4.60167456       9.16826248    
 H   -10.1506882      -5.03424454       8.43521690    
 H   -10.2003622      -4.73742819       9.95277405    
 O   -12.5393381      -3.02485681       2.67072248    
 H   -12.1434994      -3.54316664       1.94757652    
 H   -13.4521427      -2.87847495       2.43577600    
 O   -8.88682938      -2.03836274       8.18475437    
 H   -9.13411045      -2.85680819       8.63288689    
 H   -7.92876101      -1.94601536       8.26481056    
 O   -9.37298012      -2.34101892      -5.90271503E-02
 H   -9.32043648      -1.81185186     -0.849670053    
 H   -9.80887794      -1.79243064      0.619705260    
 O   -5.20494270      -4.49313021       2.07535434    
 H   -4.77285147      -4.43095493       1.22741973    
 H   -6.10762835      -4.15111113       1.95481455    
 O   -6.05919409      -1.74289143       8.17691898    
 H   -5.60530949      -1.19349492       8.81197548    
 H   -5.62202978      -2.61048150       8.20437050    
 O   -10.5169077      -1.03387308       2.01193213    
 H   -9.80564690     -0.958940148       2.66309166    
 H   -11.2038670      -1.59043074       2.39669085    
 O   -8.53837299      -7.83248472       6.83760643    
 H   -8.04445457      -7.16975117       7.34915638    
 H   -8.46972752      -8.65632820       7.31366110    
 O   -3.52611303      -5.23379898       5.96937037    
 H   -3.92854118      -4.47996569       5.50349426    
 H   -2.58035445      -5.13577032       5.88392782    
 O   -9.48947430      -5.43433332       2.81351733    
 H   -8.91999817      -6.10377979       3.21637344    
 H   -10.1201763      -5.15764523       3.49316788    
 O   -6.12942886     -0.936446846       5.39264488    
 H   -6.17613173      -1.08005512       6.34471178    
 H   -5.56708956      -1.65218782       5.06610966    
          69
 Energy    -248.08209507945142     
  O     12.45478019     11.49390899    -15.30880910
  H     13.32540841     11.82064812    -15.56168020
  H     13.48560246      5.65613671    -13.88960569
  O     14.39847442      6.61406722    -12.61326975
  H     12.36878983     10.61854099    -15.71292139
  H     15.61600514     10.77109986    -17.09907408
  O     18.05827163      9.67094511    -12.51922113
  H     15.35604269      6.64453285    -12.48861698
  H     16.50914189      9.52033230    -16.99173144
  O     17.21258227      8.57157047    -15.61956072
  H     13.99442638      7.15198011    -11.91905765
  H     13.86737113      8.76177978    -15.05210927
  O     10.79611038      7.13941390    -14.78964683
  H     18.88965923      9.76693416    -12.97958939
  H     14.48039844      7.94202835    -13.87791644
  O     15.64813399     10.54546105     -9.14231700
  H     18.21645652      9.83349487    -11.57647665
  H     11.87430944     11.50881693    -13.68725098
  O     13.26231317      8.32806960    -10.75747129
  H     16.32485371      8.58622284    -15.23179808
  H     10.86812491     12.11183196    -12.67848330
  O     15.73017793     10.92961392    -13.43770448
  H     17.48478296      7.64887870    -15.57018649
  H     17.22547381      7.00216949    -10.64707332
  O     15.15561451      5.75582797    -16.42431277
  H      9.88808734      6.85491084    -14.84738271
  H     17.67739704      8.11873699     -9.68712301
  O     14.84256031      7.87025459     -8.49201637
  H     10.87762777      7.65014462    -13.96375581
  H     11.73551051      8.40297385    -11.86353462
  O     17.48009338      5.78573226    -15.07282536
  H     15.02647386     10.83547941     -9.82315404
  H     11.16830397      9.59727542    -12.64734910
  O     13.04452517      5.35405449    -14.69669602
  H     15.29565527      9.71862522     -8.79007323
  H     17.42318022      7.85059037    -12.65475393
  O     15.88671068      9.97978171    -17.57667376
  H     13.68044562      8.10735506     -9.91640483
  H     17.33841128      6.46916935    -13.35911973
  O     14.62082493      8.70343133    -14.45350424
  H     13.52327841      9.23636734    -10.96630908
  H     17.30564528     10.27018393     -9.54590664
  O     11.56012955     11.46179861    -12.76588514
  H     15.24943632     10.15823821    -13.78561513
  H     18.79323479     10.39466467     -9.13588058
  O     17.19520996      7.28438160     -9.72336003
  H     16.58943306     10.59622844    -13.15229375
  H     14.18397324      7.76741722    -19.08843162
  O     11.10587435      8.63889381    -12.55625669
  H     14.87968504      6.45490079    -17.02555325
  H     14.82434786      8.66580697    -18.00425285
  O     17.17236368      6.92727421    -12.52396878
  H     14.38418784      5.54273555    -15.87744090
  H     14.59074911     11.05949552    -12.03666683
  O     18.21292610     10.00144788     -9.78173755
  H     14.73952698      7.36527589     -7.69021368
  H     13.08895668     11.25404321    -11.72398113
  O     14.22690868      7.90931254    -18.14653928
  H     15.66742406      7.56762437     -8.91267235
  H     15.45092904     11.83865066    -14.96746238
  O     13.93244867     10.99796345    -11.32987130
  H     18.01305451      5.05991145    -15.38453931
  H     15.55801191     13.06805856    -15.89679956
  O     15.17885366     12.19497041    -15.82960615
  H     16.63384579      5.73411867    -15.55605510
  H     11.83567810      8.22417742    -15.85592309
  O     12.44870748      8.87308657    -16.22524182
  H     12.22813523      5.86287142    -14.75082993
  H     12.92807821      8.46821779    -16.95983670
          69
 Energy    -248.08181229791660     
  O     16.47221595      2.92156834    -13.83778620
  H     15.85853421      3.63734232    -14.05110136
  H     19.28643680      5.27917632    -13.99218289
  O     18.29491695     10.05180026    -12.55571044
  H     16.31567399      2.70756909    -12.91005399
  H     15.58171632      8.12613706    -15.93343634
  O     13.00500918     11.39267422    -11.86761030
  H     18.96971766      9.68869780    -13.14739541
  H     14.08104091      7.91625427    -16.12730071
  O     16.76834670      7.11629920    -14.84875034
  H     18.49520571      9.73212840    -11.66765815
  H     12.05490139      6.28750729    -16.01984367
  O     19.13482261      3.42766684    -14.02932860
  H     13.28656836     11.20895811    -12.77229103
  H     12.47575585      7.23948140    -14.87626535
  O     11.98708242      8.85852860    -11.07693391
  H     12.55637935     10.59720799    -11.55552073
  H     16.68365626      9.25007526    -12.69899059
  O     18.50413188      8.82024958    -10.01219679
  H     17.65833252      6.81821053    -14.62872116
  H     15.25525446      9.37411085    -13.30510821
  O     14.48253291      7.83359067    -10.68081710
  H     16.46960506      7.67274277    -14.11251461
  H     17.25824230      2.95362895    -10.95473443
  O     16.32500509     11.96341756    -13.24890387
  H     19.55707671      2.76998985    -14.57512610
  H     16.21010735      1.98394637    -10.35582245
  O     16.07411386      9.77230930     -9.36982155
  H     18.18081187      3.23023245    -14.03948418
  H     15.10104320     13.04507367    -10.14656098
  O     14.89750505      5.23352731    -14.13215977
  H     11.37441405      8.59628764    -10.39523226
  H     14.38274411     11.95990098    -10.98217827
  O     19.20415656      6.22300899    -13.81060474
  H     12.84233008      8.44626355    -10.86534428
  H     18.20731526      7.15362263    -10.79796382
  O     14.77106394      8.58707238    -16.18769616
  H     19.13126190      8.97125518     -9.31003127
  H     17.14758808      6.10941420    -11.29209439
  O     12.79477411      6.53894104    -15.47331833
  H     17.64833436      9.17573181     -9.71063547
  H     14.96849991     11.14340430    -14.13664854
  O     15.85040096      8.77684285    -12.83531366
  H     14.68201915      6.88960989    -10.71870011
  H     14.45035635     10.01202766    -15.11017756
  O     16.31657314      2.70411402    -10.97079918
  H     14.95171060      8.21389840    -11.44192487
  H     15.16700717      5.32885819    -12.31459726
  O     15.23609773     12.20751417    -10.58282529
  H     17.12883353     11.44337184    -13.11817348
  H     15.61623370      4.43203891    -11.13092502
  O     18.08909128      6.32692094    -11.28048221
  H     16.01749138     12.16675169    -12.35678080
  H     19.12714547      3.48266183    -12.08526328
  O     14.22421947     10.55306796    -14.33706423
  H     15.80057497     10.61642485     -9.75114319
  H     18.73753002      4.57072754    -11.06875323
  O     15.42102250      5.34334503    -11.38015370
  H     15.43686429      9.11006554     -9.66688191
  H     12.72190334      9.33885005    -14.08959671
  O     18.86997651      3.61738706    -11.16472485
  H     14.09104163      5.54529863    -14.55910971
  H     11.95589824      8.64302067    -12.94499653
  O     12.10963660      8.61891226    -13.89690461
  H     15.60024685      5.82309696    -14.44470545
  H     20.54863585      8.91992575    -15.01943787
  O     20.15496900      8.80039347    -14.15853982
  H     18.84693861      6.29930937    -12.91222455
  H     19.93955206      7.85700638    -14.08976583
          69
 Energy    -248.08159894204221     
  O     11.26897587     12.28391458    -13.62071732
  H     10.33355763     12.44231980    -13.71933301
  H     18.25157254     13.55662304    -16.32883326
  O     19.84573369      7.92573772    -10.72055152
  H     11.34753795     11.44822760    -13.13625428
  H     13.70174104      8.51506213    -14.69433093
  O     17.52076503     11.48150155    -11.96845902
  H     20.18712491      8.28606377    -11.55919410
  H     13.02054636      9.58376644    -15.55441189
  O     13.46255153      7.87578245    -10.81762735
  H     20.60220812      7.76051862    -10.16429576
  H     15.32146589      9.80820602    -13.76892929
  O     15.93976126      7.18988046    -11.80107865
  H     17.19859801     12.31463266    -11.60880121
  H     14.83486577     11.28427060    -13.95120570
  O     18.42483488      6.01033543    -12.34847165
  H     16.82127708     11.18158199    -12.57570322
  H     14.67794354     10.66720523    -17.02230911
  O     13.74857618     12.49641913    -14.83380447
  H     12.83310567      8.42632776    -11.29826263
  H     13.39320571     10.69384060    -17.88266576
  O     17.89848481      8.75158138    -15.50696220
  H     13.82769952      8.43310657    -10.12021298
  H     15.88614683      9.44853226     -9.45059821
  O     17.38472121      9.20308103    -10.39962766
  H     15.02645352      7.26684780    -11.48762220
  H     15.07154662      9.57701687     -8.14255907
  O     16.41444493     10.67362438    -16.95413839
  H     16.43862321      7.88864136    -11.35811199
  H     20.44221479      8.07730370    -13.76576188
  O     19.57291717      6.64971542    -14.72199126
  H     18.92786632      6.51588620    -11.69875648
  H     20.27869342      9.59457775    -13.53141125
  O     17.87785808     12.86061970    -15.79428175
  H     17.49695747      6.22678786    -12.18553718
  H     15.15471271     13.58995924    -14.45966458
  O     12.88964898      9.03546061    -14.77324374
  H     12.87568397     12.50936420    -14.41653426
  H     15.97569922     13.96868971    -13.21327804
  O     15.36973313     10.69802950    -13.40044764
  H     13.66412109     11.99699413    -15.65654868
  H     15.61203618     14.36690638    -10.68685505
  O     13.70667841     10.73438520    -16.98345786
  H     18.30177379      9.48002350    -15.01433089
  H     15.12710838     12.97948608    -11.15811161
  O     15.00231061      9.63555679     -9.09204066
  H     18.47105291      7.98516831    -15.37951982
  H     18.68053052     11.14419037    -13.32102003
  O     20.66332731      8.79208495    -13.15558075
  H     18.24577910      8.76597518    -10.39277009
  H     18.82805603     11.60963582    -14.78007427
  O     15.99975348     13.96950686    -14.17573911
  H     17.48685277     10.01860707    -10.91093037
  H     12.34423535      9.60953578    -13.16438403
  O     15.81472852     13.65347649    -11.28674579
  H     16.87922192     11.45520365    -16.63206576
  H     12.68770817     10.47585417    -11.89085057
  O     19.10553096     10.92184931    -14.16159628
  H     16.90758182      9.91750669    -16.61176235
  H     14.38960157     10.87686812    -10.32541669
  O     12.01390020      9.91935163    -12.30305595
  H     19.94383102      5.87876343    -15.14208565
  H     14.57902984     11.07995080    -11.85922566
  O     14.13678113     11.43650803    -11.07130714
  H     19.12873740      6.34319259    -13.91073019
  H     15.63910365      7.67003396    -13.51187039
  O     15.45376481      8.08111441    -14.36760531
  H     17.23362243     13.28316656    -15.19887089
  H     16.29875155      8.22663235    -14.81240323
          69
 Energy    -248.08141238302437     
  O     14.93120971     12.26106603     -8.85223745
  H     15.81613475     12.15652766     -8.47699130
  H     14.41217595     14.42292523    -13.63808902
  O     16.74448333      8.79337127    -12.02319008
  H     14.50340727     11.39589431     -8.80850413
  H     13.26399600     14.52378583    -11.51052128
  O     16.63850888     14.98264646    -11.14417507
  H     17.24271000      9.55705124    -12.34863337
  H     12.15374528     14.95561102    -12.49484931
  O     14.57166705     11.73961024    -15.42758346
  H     16.76297290      8.12368455    -12.71783926
  H     20.54783391     13.48882422    -12.52407167
  O     16.55339619      7.03730232    -14.20282927
  H     16.33951799     14.08355671    -11.35633592
  H     19.42801475     13.38035129    -11.45785170
  O     16.53155632      8.74817559    -16.29710109
  H     17.00573989     15.32952399    -11.96368888
  H     13.30496702      9.07656897     -8.56127235
  O     15.81997568     12.32268206    -11.50896738
  H     15.52988659     11.61114400    -15.49198181
  H     13.87823447      9.43938193     -9.95087698
  O     13.99522845      9.26249692    -11.70410330
  H     14.16986749     10.96747783    -15.84497051
  H     18.24242337     14.31904063    -15.47489192
  O     17.30578109     11.32689969    -15.55690419
  H     16.98858222      6.22183848    -14.43565382
  H     18.38847413     14.37158606    -17.00181627
  O     17.78099362     14.98073841    -13.80090535
  H     16.62448756      7.62607945    -14.97628125
  H     13.63550633      8.71203924    -15.56840209
  O     13.47537137     11.68169585    -12.89876902
  H     16.91640845      9.62122813    -16.13692947
  H     13.02100711      8.92314277    -16.97222892
  O     15.15573011     14.26554889    -14.23060013
  H     15.60058376      8.90184999    -16.49732541
  H     15.88405310      9.26913564     -9.05341499
  O     12.89395020     14.36284301    -12.39608078
  H     15.03887071     12.16394210    -12.05356819
  H     16.91207212      9.03521685    -10.17558707
  O     19.63790915     13.23430247    -12.39766659
  H     15.54121387     12.23146832    -10.58915439
  H     18.41936410     12.99506180     -9.29942478
  O     13.97142918      9.60187068     -8.99617201
  H     14.94941766      9.14996264    -11.83158021
  H     18.05473038     14.25375139    -10.12540031
  O     18.40910572     13.77357789    -16.25844577
  H     13.73775130     10.10175128    -12.11470561
  H     17.15180512     11.57543967    -12.36074151
  O     13.68977142      9.25146250    -16.37745385
  H     17.54669740     11.23996577    -14.62401052
  H     18.64254156     11.74254494    -12.72476065
  O     16.82798531      9.29985022     -9.25014614
  H     17.73156792     12.12749508    -15.89197047
  H     14.95833182     15.06663432    -10.26170684
  O     18.78958771     13.67973035     -9.86879949
  H     16.87142839     14.66023502    -13.93189238
  H     14.25461870     13.95724174     -9.45834687
  O     17.88195814     11.16123574    -12.84827535
  H     18.29709167     14.31208348    -13.33186408
  H     14.66028221      7.35751453    -14.11109132
  O     14.08773926     14.75280067     -9.97998766
  H     13.09763305     12.55476348    -12.73081526
  H     13.67986001      8.17640445    -13.25312419
  O     13.77521754      7.74378561    -14.11029359
  H     13.80962905     11.67847414    -13.80817450
  H     18.02992653     11.51238172     -7.35607862
  O     17.61029338     11.67406686     -8.19760518
  H     14.90571492     13.50990173    -14.77600162
  H     17.43731944     10.80191768     -8.59517308
          69
 Energy    -248.08028034337138     
  O     -1.25165693     -1.83142509     -1.49305822
  H     -1.36601783     -1.70951300     -2.43180611
  H     -0.35874049     -6.36416020      1.50593811
  O     -3.52156747     -0.87607227      6.30806634
  H     -2.09182365     -2.18613441     -1.15115443
  H      2.68798325     -3.77201211      4.51264890
  O      2.08865508     -0.42534212      1.79987261
  H     -2.62346619     -1.22639425      6.35834478
  H      1.83016969     -2.50048184      4.69446450
  O     -1.74872904      0.01969538      2.60113854
  H     -4.09921853     -1.58440176      6.62442341
  H     -0.27493177     -4.37857640      2.84735688
  O      0.88497437     -3.91101520      7.28967706
  H      1.35059529     -0.23601566      1.19154924
  H     -1.66154835     -3.69356682      2.72978176
  O     -4.88713842     -3.19364254      7.05046372
  H      2.68337411      0.31841740      1.75405655
  H     -3.52573800     -4.68179020      2.18477257
  O     -1.02753887     -2.19534600      6.12814625
  H     -1.07529876     -0.37631123      3.16579632
  H     -3.76646260     -3.22194851      2.68365758
  O     -0.45523490     -5.93197948      5.73560704
  H     -2.46758513      0.33049125      3.16891197
  H      3.94576359     -5.39996223      2.98894811
  O     -0.11493006      0.04239750      0.32539037
  H      1.38445695     -3.93851677      8.10098957
  H      3.02340648     -4.31009873      2.38929630
  O      0.48413723     -5.96654770      3.16383776
  H      1.50718486     -3.66430755      6.58121285
  H     -4.45096761     -0.95999244      2.68354860
  O     -3.40218058     -5.57227610      0.57751060
  H     -5.16858326     -3.71093541      7.80092427
  H     -3.10248122     -1.15550844      2.03196102
  O     -0.78284328     -6.26244369      0.64343462
  H     -4.22162791     -3.73100207      6.59201420
  H      1.92822112     -3.38388931      0.62716683
  O      2.37013840     -3.14056184      5.17060003
  H     -0.42061604     -2.72334994      6.66356955
  H      2.60313311     -2.20684304      1.35760231
  O     -0.71475438     -3.54509376      2.62206937
  H     -0.50780877     -1.84062882      5.39652069
  H      0.05018974     -2.19342003      3.36758801
  O     -3.43505038     -4.09222794      2.94454940
  H      0.04349230     -5.36880769      6.33895544
  H      1.05907695     -1.01140995      3.20403453
  O      3.12035988     -4.94268984      3.12478080
  H     -1.34852448     -5.56332578      5.72494699
  H     -0.15789380     -3.56536231      0.86699760
  O     -3.99749910     -1.52564909      2.04958447
  H     -0.50264528     -0.54053264     -0.33785282
  H     -0.20289853     -3.09895140     -0.61145728
  O      2.69538112     -3.14718828      1.16681188
  H     -0.77890107      0.15387932      1.01974472
  H     -4.60404991      1.27559766      4.31210720
  O      0.43705062     -1.42242003      3.81920548
  H      0.18425514     -6.06558242      4.08091778
  H     -3.92973266      0.01924528      4.90886061
  O      0.23271143     -3.71192622     -0.00823930
  H      1.42333735     -5.74584892      3.17990150
  H     -2.20959906     -3.60336555      5.73429074
  O     -4.10515647      0.49829432      4.07822589
  H     -2.47612941     -5.87377660      0.58509520
  H     -3.09990609     -4.33859130      4.69264014
  O     -2.80249032     -4.35875624      5.61371211
  H     -3.92712807     -6.30447702      0.26549030
  H     -3.49127969     -3.80691756     -0.15251420
  O     -3.49341207     -2.87524702     -0.40412790
  H     -0.34791833     -5.50434036      0.23000063
  H     -3.83771096     -2.38680952      0.35382256
          69
 Energy    -248.08015307380066     
  O     -4.96794349      2.93817987      3.36051720
  H     -5.64083366      2.63034366      3.96104414
  H     -5.43093639      5.06780946     -1.59024527
  O     -2.88634370     -2.32925543      0.85149348
  H     -4.28511138      3.37966590      3.89857824
  H     -0.48027865     -0.46176544     -1.82295533
  O     -1.89268159      5.08532331     -1.52677757
  H     -3.30207371     -3.18141858      0.75761487
  H     -0.45847707     -0.94781690     -3.29246807
  O     -3.72189649      2.00866045     -1.04598433
  H     -3.13712546     -1.82055289      0.06134075
  H     -0.62554010      3.14987212      3.40249156
  O      1.63709696      5.64982490      1.59477482
  H     -1.59392324      4.24624670     -1.89753028
  H     -0.17153514      2.07934905      4.40546991
  O     -0.95684455      3.29392682      1.70892406
  H     -2.85390054      5.01693870     -1.46887029
  H     -2.12991095      6.37697645      2.16249552
  O      0.55989699      0.42158394      3.82462575
  H     -2.84061593      2.13806509     -1.42664471
  H     -2.78832999      7.43622903      3.07606687
  O     -3.44437121     -0.80967849     -1.37390567
  H     -4.18396219      2.85006145     -1.14306768
  H     -3.45352022      1.75782788      0.70428722
  O     -1.38555266     -0.40595152      2.07365899
  H      2.21833392      5.02193559      1.14996379
  H     -3.86179226      2.02619703      2.19722126
  O      0.27497692     -0.33275801     -0.26230496
  H      1.67851583      5.41480615      2.52991874
  H     -2.84979505      5.06861067      4.10768451
  O      2.68542339      2.25056500      2.99650944
  H     -1.79297508      2.81444506      1.62777937
  H     -2.12348905      3.82117376      4.67450947
  O     -4.70402634      4.63787502     -1.14805020
  H     -1.07882754      4.20405575      1.41036907
  H     -1.11689771      1.49565184     -2.54630063
  O     -0.94473703     -0.40449412     -2.67877192
  H      0.84017250     -0.33587003      4.33278873
  H     -0.44728654      2.44060200     -1.53134294
  O     -0.46670657      2.99578193      4.35001049
  H     -0.10946175      0.09599742      3.19899604
  H      1.93300869      5.04719053      5.13035947
  O     -2.79118346      6.50607666      2.86522433
  H     -3.73615293      0.10521550     -1.28025248
  H      0.90963440      4.12355423      4.43048366
  O     -3.16418927      1.68550786      1.62507004
  H     -2.64510965     -0.76554926     -1.91431483
  H     -5.04213290      4.36143784      2.10659252
  O     -2.98088696      4.26238843      4.62379368
  H     -2.00438802      0.32923094      1.96061185
  H     -4.22540235      5.65703312      1.95378006
  O     -1.17891137      2.37970609     -2.16421664
  H     -1.86065233     -1.19232865      1.76637282
  H      1.66868000      2.77035087     -0.07866990
  O      1.73115384      4.62608372      4.29865392
  H      0.59111269      0.58081313     -0.22852112
  H      0.23411384      2.70067108      0.51361485
  O     -4.87563260      5.10022645      1.50895420
  H     -0.27673549     -0.44337768      0.52088359
  H      4.14359637      3.36239631      0.37658002
  O      0.78879437      2.40595015     -0.22399431
  H      2.00660568      1.59279014      3.18565613
  H      3.10671405      2.95526344      1.45275859
  O      3.22675329      3.44995262      0.62154418
  H      2.46298247      3.02829748      3.52426317
  H     -1.22938744      5.74482477     -0.00739662
  O     -1.00903366      5.95156269      0.91334248
  H     -4.79631845      4.83305156     -0.19833842
  H     -0.04820556      5.94345351      1.03826162
          69
 Energy    -248.08014450831527     
  O     -7.40483260     -2.30511889      5.88369514
  H     -7.64958208     -2.77865401      5.07907782
  H     -7.15373202      0.88491047      4.42666569
  O     -9.65726182     -0.88735159      3.55944735
  H     -6.46148182     -2.11281331      5.81709255
  H     -4.65962982     -1.50156763      4.51605507
  O     -8.39894555     -3.39017763      3.42227080
  H     -9.74558488     -0.68424586      4.50002601
  H     -3.88241575     -2.22993042      5.63751854
  O     -6.16867632      1.53642015     -0.11569820
  H     -9.35443974     -1.80442857      3.49739801
  H     -2.19112879      3.57063860      0.97690393
  O     -4.63706044      1.19140237      5.88352099
  H     -7.80204156     -3.15741922      2.68811252
  H     -1.18295662      2.99412400     -0.04793748
  O     -4.96421940      5.87677510      1.04214107
  H     -8.68114461     -4.28865498      3.27463054
  H     -7.57829886      4.33084362      4.50531211
  O     -9.33454227     -0.46623184      6.34525855
  H     -6.78018393      1.95405910      0.50619097
  H     -9.04211069      3.86735713      4.64124339
  O     -4.96424146     -0.95205736      2.85779865
  H     -6.59466364      0.71938627     -0.40086266
  H     -9.52129032      3.06136982      2.72110297
  O     -4.62432874      3.84845510     -0.75256933
  H     -5.55285188      1.38082768      6.13430868
  H    -10.99748894      2.79456887      3.02970732
  O     -7.72631675     -0.79792419     -0.57324504
  H     -4.56573877      0.23147843      5.86514593
  H     -6.02272476     -2.09890233      1.87156841
  O     -3.85066984      1.06818458      1.37674859
  H     -4.89511029      5.19550102      0.34981045
  H     -7.04408449     -2.02654008      0.71410162
  O     -7.20002432      0.47629428      3.55072770
  H     -5.06983955      6.71327262      0.59718387
  H     -9.76875846     -0.07448738      1.87612361
  O     -4.65085785     -1.68959312      5.47018206
  H     -8.62942906     -1.13709287      6.27538404
  H     -9.17112121      1.18875664      1.21379340
  O     -2.08881152      2.93808647      0.24231308
  H     -9.84632607     -0.68193284      7.12030213
  H     -8.12331099      1.02847333      6.30868969
  O     -8.22641967      4.00404405      5.14184030
  H     -5.74552460     -0.43037895      3.10594284
  H     -7.71125516      2.47525762      5.85592980
  O    -10.24771094      3.31791962      3.30542718
  H     -4.40526071     -0.36647273      2.33094086
  H     -3.11792638      4.04398602      2.92083999
  O     -6.75480944     -2.57289612      1.45382440
  H     -5.19644672      3.07274223     -0.70331431
  H     -3.37294766      5.20739546      1.94380048
  O     -9.61497511      0.35374526      1.02240122
  H     -3.72932584      3.53004538     -0.57870608
  H     -4.13624819      2.11617104      2.91792022
  O     -7.37627373      1.59328491      6.08352865
  H     -8.08907761     -1.08440171     -1.40795338
  H     -4.31138223      2.22722036      4.46422384
  O     -2.68191378      4.62411852      2.28055366
  H     -8.46790278     -0.44225969     -0.05218590
  H     -7.64077306      1.77514130      2.45748821
  O     -4.25930905      2.73942523      3.64456546
  H     -3.14110985      1.57911382      0.96919700
  H     -7.42390447      3.28143301      2.17748172
  O     -7.90607856      2.50027545      1.86773881
  H     -4.63930197      1.20250837      0.83137054
  H     -5.63448655      3.84912416      3.30690901
  O     -6.35134772      4.43095052      3.00956731
  H     -8.00075936     -0.06267456      3.52773743
  H     -5.95977859      5.05352702      2.38552412
          69
 Energy    -248.08011600057989     
  O     13.50461903     10.55263987     -9.46465629
  H     13.83551408     11.45419434     -9.36390242
  H     11.79750930      4.10713708    -15.24353642
  O     17.54725281     12.12703955    -12.51942280
  H     14.28182576      9.97855292     -9.52566681
  H     13.52689286      6.36746541    -11.45263071
  O     11.71239404     10.79099117    -15.57695352
  H     17.42893484     11.80275403    -11.60831765
  H     13.86143374      5.74440277    -10.08698351
  O     10.57541190      9.16684582    -13.52333450
  H     18.43914882     12.45851438    -12.57958153
  H      9.03557159      7.43698175    -10.86635187
  O     13.74022672     11.85025999    -13.96360477
  H     11.92519119     10.15087349    -16.25564061
  H     10.25345953      6.74136068    -11.51359654
  O     16.01762097     10.23619392    -13.93470120
  H     11.12671342     10.32443479    -14.96423681
  H     15.95698518     13.20150055    -12.34368189
  O     14.73916490     13.05861716     -9.50590738
  H     10.15235298      8.59503928    -12.87210401
  H     14.49998378     13.10790879    -12.81964876
  O     15.73234602      8.82878532     -9.63091728
  H     11.17321790      9.71425710    -12.98839626
  H     13.24778314      7.25771233     -8.70275929
  O     14.41774742      4.52516393    -13.49218103
  H     13.08050770     11.59375646    -14.62176389
  H     14.02766743      6.49354037     -7.60570115
  O     17.00612481     11.34781338     -9.96749459
  H     14.50318625     11.26077981    -14.05426923
  H     11.85359290      5.19042409    -11.53046833
  O     13.51478391      7.88542654    -12.39456289
  H     16.61180807     10.91855180    -13.59640364
  H     11.20849612      5.05329832    -12.92094819
  O     12.00676793      4.83347553    -14.66278261
  H     16.11401972      9.49309565    -13.32308735
  H     17.33505102      5.88429451    -14.87815627
  O     13.61903943      5.51812615    -10.99073881
  H     14.78966287     13.28393179    -10.45268246
  H     16.09433299      6.80941321    -14.88326232
  O      9.89151977      7.60697707    -11.25265641
  H     14.65524203     13.88079929     -9.03104266
  H     15.40053913      8.92068359    -15.20757251
  O     15.06628310     13.52183425    -12.15463044
  H     15.30700292      8.08729225     -9.18305606
  H     14.18703008      7.98734451    -15.48742327
  O     14.08193346      6.79066209     -8.51013605
  H     16.01301347      8.50589981    -10.49951548
  H     12.18837412      6.64413701    -14.95034937
  O     11.01016030      5.25427241    -11.99924558
  H     15.20297020      5.01144070    -13.76990483
  H     11.70088746      8.07387493    -14.53721618
  O     16.58954679      6.16015269    -14.35157968
  H     14.27660172      4.73180993    -12.55803373
  H     12.23216476      9.12654984     -9.22356258
  O     15.13940994      8.08595828    -15.61675885
  H     16.69630728     10.46021448     -9.74816007
  H     11.23635402      8.12768463     -9.88295485
  O     12.42615595      7.58155728    -14.94668744
  H     16.31423994     11.95225269     -9.67124216
  H     15.24724046      7.94498609    -12.28760142
  O     11.87709833      8.22971614     -9.17097252
  H     13.20932874      7.69321328    -13.28981933
  H     16.54665965      7.31539092    -12.82846521
  O     16.21649074      8.00223298    -12.23812828
  H     13.14536726      8.74466230    -12.15549425
  H     12.93222575     11.00451626    -12.59900052
  O     12.45658244     10.42263639    -11.99045565
  H     12.89377018      4.65716227    -14.29725173
  H     12.78070533     10.58786179    -11.09662798
          69
 Energy    -248.07966949674872     
  O     18.33136591      6.98013601     -9.52810914
  H     18.99248399      7.14206774    -10.22128273
  H     21.15264972     10.03948092     -9.96909247
  O     18.38257647      3.95498481    -11.69464409
  H     17.59076833      6.53199602     -9.95454143
  H     19.24258145      7.66809020    -13.07204676
  O     19.98988877      5.05829936    -13.84612887
  H     17.64152863      4.54343393    -11.48195293
  H     19.38795799      8.45919320    -14.37235462
  O     22.31197507      7.21966090     -8.82062183
  H     18.00003875      3.10353908    -11.89879714
  H     19.83735724      3.98515086    -10.44501466
  O     16.38194791      5.77700082    -11.08124296
  H     19.56076946      5.88680797    -14.09845079
  H     20.33814511      4.50822749     -9.07294430
  O     22.23411483      6.22832491    -12.77589156
  H     19.43768988      4.66826528    -13.15852358
  H     14.45370813      7.76053344    -12.78341467
  O     14.68983288      9.07748711     -8.97896382
  H     21.58727764      6.80012932     -8.34259278
  H     13.54466671      8.79694760    -12.09491575
  O     23.05945874      4.93027723    -10.43824881
  H     22.69939244      6.51829810     -9.35851017
  H     16.84930838      9.95245441    -10.81410028
  O     20.10449164      7.52393923    -11.48688605
  H     16.39241803      6.43108127    -11.79735914
  H     17.35351962     10.64478546    -12.10576857
  O     19.64221087     11.09193047     -9.60416721
  H     15.52747715      5.86442454    -10.64171420
  H     16.41602228      8.60795047    -12.56722134
  O     18.94790716     11.28755386    -12.47040164
  H     22.61683524      5.71475222    -12.05358778
  H     17.16055927      7.67238944    -13.53666507
  O     21.78059128      9.43325461    -10.37893852
  H     21.58808067      5.67532807    -13.24039436
  H     22.61223870      8.04177764    -13.04720393
  O     18.92654430      7.70446951    -13.98876326
  H     14.43427272      8.17227492     -9.19201070
  H     22.50121585      9.27023529    -12.12008397
  O     20.59316659      3.98939525     -9.84642176
  H     14.28588406      9.62595152     -9.66297757
  H     16.45642862      9.44308480     -8.88883108
  O     13.60073134      7.86423817    -12.34034365
  H     23.73125727      4.28347507    -10.24001439
  H     17.75478555      8.64406778     -9.17454999
  O     16.58936513     10.19910103    -11.71150638
  H     22.19985317      4.51340094    -10.24655895
  H     13.57751493     11.38992731    -11.55525587
  O     16.35268796      7.75031368    -13.01224059
  H     20.77063438      6.94848145    -11.88589886
  H     14.85575621     10.51897657    -11.55471687
  O     22.61595323      9.00926039    -13.04375103
  H     20.60047020      8.27890394    -11.14282425
  H     21.31812930      9.65178414    -13.99604733
  O     17.39704452      9.54031792     -9.09937993
  H     19.62570034     11.90220549     -9.09965420
  H     20.85403335     10.44829817    -15.23695699
  O     13.90338162     10.51697548    -11.35315232
  H     18.84641537     10.59632714     -9.35213756
  H     19.66690721      5.78799503     -6.85337139
  O     20.53368099      9.98858867    -14.46559138
  H     19.53776416     10.87797180    -13.11519595
  H     19.34518973      6.26556347     -8.28988340
  O     20.01666293      5.82661725     -7.73964096
  H     19.39011512     11.26691577    -11.61488875
  H     13.68884192      6.93508767    -10.86417753
  O     13.88783016      6.48548732    -10.02212164
  H     22.02059458      8.74679270     -9.73616481
  H     13.09426196      6.02598603     -9.76078933
          69
 Energy    -248.07966403844244     
  O     -8.20872359     -1.75211984      6.22917251
  H     -8.88702991     -1.07036148      6.29731668
  H     -7.60133565     -1.89653503      0.07531760
  O    -10.26079513     -2.72067429      2.56516516
  H     -7.36536094     -1.34504592      6.46028963
  H     -4.34888220      1.65613223      3.06711216
  O     -8.27579889     -3.70222986      4.35761591
  H     -9.65281410     -3.16447630      3.16811670
  H     -4.57495914      0.71660057      1.84294135
  O     -5.58807821      0.55839780      0.30727255
  H    -10.40738067     -1.84525944      2.94741282
  H     -7.13883572     -0.53682894      3.23566878
  O     -6.56340745      1.72025187      5.54817392
  H     -8.23348428     -4.55260166      4.78627632
  H     -7.21209140      0.76054041      4.11637881
  O     -4.56439402      4.90349088      0.40732002
  H     -8.27892093     -3.03024935      5.06370804
  H     -5.10199133     -0.87202029      5.93205254
  O    -10.57757819      0.87281422      0.88788885
  H     -5.85873206     -0.35315532      0.14675408
  H     -5.05702307     -0.80139550      7.47923377
  O    -10.31576462      0.22454224      6.30375075
  H     -6.40186820      1.06192920      0.45385633
  H     -0.97598325      1.39991586      1.53996209
  O     -4.36148851     -1.22282119      4.42439231
  H     -6.13888070      1.00980837      6.04448332
  H     -2.47856102      1.47094799      1.89543315
  O     -3.72918325      2.50428021     -0.57218456
  H     -5.88621583      2.25497260      5.10786548
  H     -6.48704014     -2.27924007      1.92183426
  O    -10.32274911     -0.03472571      3.49437533
  H     -4.29456929      4.06800699     -0.01312175
  H     -7.05792769     -2.82436075      3.28039393
  O     -6.63978705     -2.06149612      0.08071933
  H     -4.48862490      5.58153721     -0.25879351
  H     -9.64293140     -2.13907577      0.97109074
  O     -4.00531365      0.87680601      2.60773068
  H    -11.45979621      1.13827427      0.64104325
  H     -9.71600236     -0.77854912      0.25835355
  O     -7.59166717      0.30773971      3.35344045
  H    -10.61906573      0.59840914      1.81952148
  H     -9.19900476      3.46515868      5.69126377
  O     -5.60880188     -0.61500425      6.72471078
  H    -10.95703192      0.22474246      7.00966793
  H     -8.14904343      2.37892188      5.97233312
  O     -1.75943240      1.93214086      1.43009155
  H     -9.91560861      1.11187272      6.28792390
  H     -3.34110009      4.68402593      1.90407703
  O     -6.43078810     -2.20692571      2.88238990
  H     -4.09738584     -0.49062310      3.85188498
  H     -2.27053202      3.63657400      2.24000461
  O     -9.28115470     -1.63620104      0.22510499
  H     -5.00404107     -1.72286108      3.90137424
  H     -5.60472044      3.52010613      3.37583154
  O     -9.07313806      2.63042229      6.13608867
  H     -2.95110296      2.29708904     -0.03942611
  H     -4.09378460      3.63108903      3.69022631
  O     -2.78785495      4.35456746      2.62435919
  H     -4.36269886      1.79303455     -0.40777501
  H     -8.83586253      1.65332281      0.85683670
  O     -4.90090843      3.16156323      3.94083500
  H    -10.53537425      0.04701009      4.43032322
  H     -7.76618177      1.32056808      1.91451445
  O     -7.92001609      1.82631056      1.09947117
  H     -9.35744784      0.05323054      3.44403468
  H     -7.18792402      3.43186298      1.69315816
  O     -6.69121330      4.13404281      2.13273383
  H     -6.46659033     -2.70483573     -0.60103725
  H     -6.05399002      4.46810038      1.48728353
          69
 Energy    -248.07961356838922     
  O     16.84428220      9.77995763    -17.76328513
  H     15.98671163     10.21538959    -17.80976578
  H     16.70930011      6.51867835    -12.39011532
  O     15.38405378      5.90364744    -13.46763356
  H     16.92227649      9.46181291    -16.84831690
  H     19.90656593      8.24643578    -17.63601730
  O     18.45835178     14.48596076    -13.31734232
  H     15.79407280      5.80800536    -14.33252172
  H     21.42087847      8.53611878    -17.75804437
  O     19.86394882      8.47402005    -14.55356943
  H     14.59501361      6.44403134    -13.60100631
  H     16.49723173      9.05994107    -14.53978166
  O     15.14444730      6.44989098    -17.78009820
  H     18.77744009     13.96217363    -12.56016404
  H     18.01701187      8.81811817    -14.87701307
  O     16.48122249     12.16473209    -10.29871115
  H     18.90561610     15.32664449    -13.27991735
  H     14.64631540     11.38612320    -16.42380902
  O     15.23095079      9.63691907    -13.36816430
  H     19.77568368      7.53626851    -14.33994625
  H     13.76986200     11.62501962    -17.67404851
  O     18.08477713     12.20388755    -14.91768871
  H     20.23817805      8.54592189    -15.44092784
  H     16.80485041     10.36715774    -10.79686480
  O     19.19385981      5.83363799    -13.87687376
  H     15.79815737      6.15886104    -17.12872041
  H     17.80223439      9.86035827    -11.85419579
  O     13.25644970      7.73004555    -13.85278276
  H     15.63309176      6.56136680    -18.59475430
  H     13.77625363      9.21336332    -16.76880716
  O     17.16395596      6.12761135    -15.84623708
  H     16.17009494     12.64686942    -11.08542130
  H     14.05165553      7.69881073    -16.97989982
  O     17.54422229      6.83591551    -12.01227906
  H     16.00740117     12.52436112     -9.55339561
  H     19.30390284     11.98041555    -11.76235704
  O     20.64896389      8.72813117    -17.23197113
  H     15.74648910      9.55345805    -12.55492216
  H     18.31496926     12.62425925    -10.78011605
  O     17.11704069      8.77716833    -15.22327875
  H     14.52267828      8.98179188    -13.37525052
  H     18.69451501     11.09592651    -13.62299155
  O     14.33958456     10.98508813    -17.25510636
  H     18.33302225     13.07408267    -14.58347635
  H     19.54395054      9.82012513    -13.38807446
  O     17.05392958      9.58342880    -11.30219557
  H     18.56704571     12.00369133    -15.73331162
  H     16.62702834     14.00670169    -12.84479866
  O     13.55296544      8.33347304    -16.44705573
  H     19.68590874      5.09751007    -13.52429484
  H     15.49102753     13.09329119    -13.33727400
  O     19.11973846     12.80033042    -11.28263989
  H     18.64194560      6.17755454    -13.14812180
  H     18.05120007      6.90328334    -17.46922711
  O     19.07784036     10.53338170    -12.93352645
  H     13.30452154      7.93635003    -14.80522059
  H     17.79719458      8.24602577    -18.19135017
  O     15.82147484     13.55814749    -12.55936560
  H     12.33607243      7.60371689    -13.64104337
  H     15.20071139     11.13647061    -14.30471602
  O     18.39076019      7.48020983    -18.16234041
  H     17.04354348      7.06717811    -15.62462733
  H     16.30009897     12.01642380    -14.96069166
  O     15.34020902     11.91156471    -14.87089559
  H     17.87710855      5.81914747    -15.27440126
  H     19.82766456     10.52834960    -17.23225557
  O     19.18835948     11.24859289    -17.22858366
  H     17.37022400      7.69923426    -11.62362404
  H     18.36822504     10.85729101    -17.56183475
          69
 Energy    -248.07954625417705     
  O     11.75081546      9.55303317    -14.92771670
  H     12.01723428     10.47875449    -14.87918766
  H     15.36689391      5.65438302    -15.77148896
  O     16.63689932      7.06841733    -13.31179522
  H     12.30394176      9.13629582    -15.60063117
  H     20.88548702      8.86541817    -15.09772674
  O     16.97277531     11.35213350    -12.14518563
  H     16.05331184      6.90320197    -12.55924829
  H     19.44249069      9.20933827    -15.50415679
  O     16.78403035     11.33581585    -14.97352739
  H     17.35187133      7.64435005    -13.00549205
  H     15.01099748     12.96584622    -17.08394512
  O     13.46648800      5.49651061    -15.65073254
  H     16.01453525     11.28503105    -12.26647880
  H     15.53915423     12.34760606    -15.77928394
  O     15.01925287      9.51037628     -8.74922510
  H     17.10941314     11.39915839    -11.19054936
  H     15.70277663      8.38959176    -14.08961183
  O     14.85267203      6.80939314    -11.19665709
  H     17.06258086     11.56162583    -14.07851111
  H     14.62223795      8.79274336    -15.14074806
  O     14.24571666     10.94174697    -12.66324280
  H     16.26025054     10.52305021    -14.88056242
  H     11.37931156      8.69181024    -13.46202467
  O     16.19777652      7.91484441    -17.71528241
  H     13.27279818      5.62416160    -14.70426667
  H     10.25310812      8.15056039    -12.55068132
  O     16.40342184      6.99162400     -8.87237557
  H     12.98429921      4.72198110    -15.92669913
  H     18.11616573      9.50024370     -9.50893965
  O     18.24803595      9.70460263    -16.73455704
  H     15.40497796      8.63061248     -8.65386812
  H     18.55418739      8.61743132    -10.68707297
  O     16.27953564      5.95989044    -15.84413711
  H     14.29136960      9.41346182     -9.37683545
  H     13.59880348      6.08295357    -12.38847723
  O     20.01307332      9.01271676    -14.74315053
  H     14.32743619      7.61649833    -11.09920483
  H     12.27070180      6.66759996    -12.91132823
  O     14.76916798     12.78216492    -16.17978314
  H     15.37284606      6.72538849    -10.38804194
  H     19.08036311      9.00262692    -13.23819215
  O     15.20918037      9.13438053    -14.45721856
  H     14.52329707     10.23894699    -13.27455815
  H     17.98606009      9.79427001    -12.44231422
  O     11.20115858      8.19812607    -12.64153023
  H     13.66069077     11.51438266    -13.17143582
  H     16.32266031     10.62881976     -9.10816462
  O     18.39654587      8.60459983     -9.73252360
  H     16.31195647      7.19691563    -17.06497637
  H     17.23571405     11.78165050     -8.62997294
  O     12.91599269      5.96559127    -13.06097963
  H     16.43089609      7.55059077    -18.56587223
  H     12.45132473      8.78587640    -11.36061547
  O     18.46556173      8.95722248    -12.49101126
  H     16.71714591      6.39308785     -8.20042130
  H     13.59416221      9.81569974    -11.44450708
  O     17.11503340     11.14899013     -9.33303500
  H     17.17507623      7.50346966     -9.17680865
  H     13.36165462     12.47786106    -15.18700295
  O     13.24338870      9.09262049    -10.90324608
  H     17.80753622     10.39084208    -16.21515132
  H     12.07467103     13.02920940    -14.53193880
  O     12.63671348     12.25992425    -14.57559974
  H     17.55011347      9.13331507    -17.07488085
  H     13.48644732      7.22955011    -16.29890390
  O     13.62111405      8.15661565    -16.54364312
  H     16.53360152      6.24431214    -14.95492143
  H     14.41465726      8.18015189    -17.09445444
          69
 Energy    -248.07950489174442     
  O     12.27985516      9.85567214    -15.16525486
  H     12.91522587     10.55065968    -15.36461075
  H     15.98234151      5.38820937    -14.31229479
  O     16.29843481      6.64360773    -12.89730959
  H     12.58423774      9.06985069    -15.64295650
  H     19.40459590      9.56728950    -14.86936656
  O     17.63219557     10.80819378    -12.19006093
  H     16.01935264      7.32149574    -13.53299811
  H     19.25122269      8.25863242    -14.08578140
  O     16.73489040     10.49552277    -16.28117201
  H     15.67289326      6.69448103    -12.16300516
  H     14.23511756     12.59538533    -16.21506587
  O     12.78554411      5.19285616    -14.85320473
  H     17.68961834     10.95015610    -11.23673823
  H     15.16678686     11.38759772    -15.98202157
  O     15.19831032      9.98766997     -8.79271057
  H     16.69896347     10.88020668    -12.43715625
  H     14.72346276      8.23424998    -15.09165253
  O     14.44828812      7.09958423    -10.85215809
  H     17.14907193      9.81326867    -16.82693541
  H     15.97407469      9.15231880    -15.17954312
  O     15.01777439     10.85529761    -13.06856434
  H     17.43876801     10.88124124    -15.74158098
  H     10.40791311      9.36795908    -12.68710320
  O     15.73008303      6.65316581    -17.35822581
  H     12.15449270      4.49090927    -14.98632029
  H     11.65902830      9.42789063    -13.59283170
  O     15.97939990      7.24219719     -8.51001586
  H     12.58699652      5.58998054    -13.98651792
  H     18.55094030      8.01593641    -10.42248155
  O     18.10480844      8.29999333    -17.32235036
  H     15.35541014      9.06210241     -8.56697897
  H     18.25959893      9.13049894     -9.40014740
  O     15.65087511      4.98352960    -15.12350926
  H     14.50837437      9.98768818     -9.46908118
  H     11.89063766      7.32798694    -12.58803868
  O     19.42825811      8.60820803    -14.96823770
  H     14.92368270      7.01720412    -10.01649929
  H     13.00356524      6.52472067    -11.88120236
  O     14.37407972     11.83976991    -15.64938471
  H     14.16078320      8.02137239    -10.91462712
  H     19.39183590     12.14157806    -14.53052748
  O     15.43678108      8.63002942    -14.57246483
  H     14.73318625     11.44703578    -13.77295705
  H     18.44826176     11.25207314    -13.68638039
  O     11.33553906      9.14860468    -12.71774444
  H     15.08902680      9.98416656    -13.49408447
  H     18.20648635      8.99123627    -12.29103448
  O     18.33336237      8.17337309     -9.49445281
  H     16.55261954      7.15230906    -17.36950653
  H     17.81929532      7.49705240    -12.49276453
  O     12.28363697      6.44965200    -12.52102947
  H     15.81330029      6.00490198    -16.64091157
  H     16.73971826     10.69073151     -9.16867004
  O     18.80327533     11.39291982    -14.58098941
  H     16.12423842      6.66415574     -7.76610252
  H     17.91178406     11.61376736     -8.75678738
  O     18.56354092      8.09341628    -12.31633813
  H     16.85793653      7.49166681     -8.84894401
  H     14.04111211     10.24050199    -11.68149970
  O     17.63961464     10.97611280     -9.41102714
  H     18.60667939      8.28617496    -16.48794330
  H     12.66690558      9.58009005    -11.47983583
  O     13.50908068      9.74961740    -11.03915640
  H     18.72537137      8.09704421    -18.01775767
  H     13.11263583      6.75289791    -15.80172365
  O     13.44184036      7.56245485    -16.21345796
  H     14.69434024      4.92337108    -15.00810921
  H     14.18205149      7.29692880    -16.78260756
          69
 Energy    -248.07935083883356     
  O     16.08036801     10.46383241    -16.95301085
  H     16.13205264      9.90467743    -17.73672101
  H     20.87535612     11.00524642    -16.80924460
  O     16.07324940      4.87402846    -13.27871234
  H     15.16691347     10.44385793    -16.62857389
  H     16.67259542      9.27061197    -15.64929486
  O     19.53375616      8.97506531    -14.20800522
  H     16.34332475      5.16950879    -14.16126587
  H     16.22655152      9.14557536    -14.18865635
  O     14.86860681      6.80097661    -17.34151888
  H     15.39093205      5.49756762    -13.00149522
  H     13.39628906      9.31823927    -15.61087251
  O     15.85478996      9.24649611     -9.43183567
  H     18.59065573      8.88074481    -14.41576397
  H     14.07690835     10.43801445    -14.82181515
  O     17.30444140     12.11122330    -12.91641892
  H     19.92026869      9.47464853    -14.93658883
  H     17.53112796      6.88402802    -11.52891379
  O     20.17147372      6.27755675    -13.91850591
  H     15.30963883      7.38235103    -17.97111692
  H     16.19410183      7.51234381    -11.99793532
  O     14.48840475      7.18086076    -12.74387686
  H     15.57910369      6.39536984    -16.82356767
  H     13.79104472      7.20753674    -16.04571615
  O     19.58293805      5.85395958    -16.51440734
  H     16.50505208      9.94510977     -9.28500229
  H     12.39695144      6.99761793    -15.41909264
  O     16.91812062      6.08835981    -15.62286048
  H     16.29813299      8.58350369     -9.97935809
  H     18.35290288     10.70643069    -10.19769520
  O     18.37109761      5.27848797    -11.91991967
  H     17.78542052     11.36239372    -12.52792133
  H     18.73126304     11.16195156     -8.78069830
  O     20.16145974     10.46428391    -16.48376639
  H     17.37114106     12.82756449    -12.28853505
  H     19.12856938      9.66814330    -12.59172527
  O     16.82943304      8.76572812    -14.83951870
  H     20.03980306      7.23664416    -13.92074464
  H     17.98948687      9.16352568    -11.68656965
  O     13.66407229     10.24267276    -15.67566222
  H     19.60780627      5.92247003    -13.22134550
  H     12.91776526      9.63654240    -10.63976933
  O     16.98929677      7.68098379    -11.47567378
  H     14.07306994      7.82728881    -12.16022115
  H     14.42400136      9.36772546    -10.39784101
  O     13.23309565      7.43613043    -15.28089614
  H     14.09062325      7.29975225    -13.61706782
  H     19.22748185      7.46921166    -17.42934989
  O     17.99523454     11.09921211     -9.38579128
  H     19.87235554      5.95716747    -15.58981873
  H     19.38829652      9.01124814    -17.44654242
  O     18.58790587      9.91241003    -11.82854280
  H     20.05622635      5.10700864    -16.87051955
  H     15.75309375     11.10198655    -13.09581363
  O     13.72294696      9.37007105    -11.07432420
  H     17.80209283      5.92997469    -15.97345019
  H     14.64642208     10.17120612    -12.48763632
  O     18.93577610      8.27449410    -17.87368036
  H     16.89183925      7.00769418    -15.31621659
  H     17.78841815     12.09998795    -14.82238887
  O     15.10772116     10.41429894    -13.29872918
  H     18.57048306      4.56605695    -11.31835785
  H     17.31189721     11.57409058    -16.20153503
  O     18.05993722     11.98043445    -15.73832952
  H     17.55985998      5.02587306    -12.39816541
  H     17.37483231      8.41340103    -18.61384599
  O     16.47190754      8.54234324    -18.95792669
  H     19.43574892     11.06937824    -16.24233408
  H     16.54431100      8.59829914    -19.90680249
          69
 Energy    -248.07930187997920     
  O     15.97280261      8.98971801    -15.75108596
  H     16.62335361      8.89322412    -15.04431803
  H     12.75798457      9.37017437    -14.25060711
  O     14.46436490     12.37583704    -15.01378880
  H     15.14033446      9.21660532    -15.31842441
  H     16.92489992      9.78585015    -18.65461227
  O     19.92337278     10.04289173    -11.99759139
  H     15.36661118     12.19717842    -14.70754103
  H     16.48955302      9.86554596    -17.17429281
  O     20.42549998     12.67177926    -12.41608383
  H     13.96923480     11.57282889    -14.81733456
  H     16.71874363     12.62592692    -10.98542425
  O     14.61052845     10.05754692    -11.80694484
  H     20.12911459     10.98476945    -12.12652469
  H     15.77317091     12.62777814     -9.76552094
  O     17.91622750      9.84941605     -9.97025866
  H     20.76223685      9.59103891    -11.94462185
  H     20.28958334     16.27869959    -14.22720035
  O     17.66946647      9.10332054    -13.45872533
  H     20.59315378     12.74732679    -13.36895054
  H     18.97294446     16.27761713    -13.43601484
  O     15.04892771     12.65702181    -17.73198400
  H     20.83056230     13.43771382    -11.98445781
  H     20.07827801     12.55594788    -15.64028987
  O     18.15697219     14.88793051    -16.61943629
  H     15.10705305      9.27219383    -11.54388677
  H     20.90608655     13.83647429    -15.39885769
  O     21.27943384     15.05589092    -11.42487739
  H     15.05798919     10.80266258    -11.38983594
  H     16.95872651      8.56441925    -10.64156186
  O     18.42454550     12.14145268    -16.43293191
  H     17.37295984     10.64616143    -10.02979469
  H     16.38718773      7.12648029    -10.74063303
  O     13.60933010      9.79544087    -14.30751266
  H     18.66363928      9.97761849    -10.56835325
  H     15.38650084     14.35020685    -17.77098915
  O     16.79938631     10.39420741    -17.93148173
  H     17.19650023      8.63527323    -12.75859350
  H     15.16402160     15.76180002    -18.36649175
  O     16.16737654     12.05771636    -10.42160153
  H     18.51330066      9.37503855    -13.07488712
  H     19.79700701     15.47547570    -16.31509537
  O     19.91887956     16.44976307    -13.35238202
  H     14.75094990     12.53328543    -16.81918578
  H     21.15431270     16.10940128    -16.69952621
  O     20.78859253     12.92687120    -15.10057352
  H     15.61653105     11.90276323    -17.92425955
  H     17.69279019     15.23174434    -14.82162773
  O     16.40847578      7.96954436    -11.18384745
  H     17.31961276     15.12421376    -17.03733017
  H     16.36204273     15.46655915    -14.10368262
  O     15.59704054     15.29553595    -17.65700223
  H     18.22591935     13.92190525    -16.63885581
  H     17.13339374     10.83008622    -13.84220979
  O     20.69520010     15.66446307    -15.99192246
  H     21.63456297     15.64949433    -10.76978666
  H     17.27388985     12.32273689    -13.39613731
  O     17.31850387     15.44120029    -13.95614877
  H     20.81361942     15.61432648    -12.07117049
  H     14.49847238     14.25836488    -14.83043525
  O     17.00081763     11.74526435    -14.11950336
  H     17.94169637     12.01290895    -15.60178871
  H     14.91986490     15.36799409    -15.80275538
  O     14.73779911     15.19420446    -14.87144374
  H     18.00883062     11.54950424    -17.06950525
  H     18.72224363     13.25805542    -12.14867306
  O     17.77901270     13.46565037    -12.10275224
  H     13.93131372      9.90208856    -13.39402863
  H     17.61262451     14.22665288    -12.67764476
          69
 Energy    -248.07929867866710     
  O     17.55389637      8.14007225    -13.90877162
  H     16.79247830      8.70658332    -14.11165208
  H     18.60046532     11.32164698    -15.42787362
  O     16.95633075     11.57146160    -11.20948050
  H     18.14766903      8.67559992    -13.37007795
  H     12.49609691     11.46440663    -14.22320119
  O     15.58238623     12.33733637    -15.17724558
  H     16.04543793     11.30226304    -11.40477413
  H     13.79718749     12.29008100    -14.30974531
  O     12.77462761      6.15207136    -15.23597454
  H     17.14771211     11.24551831    -10.31879357
  H     15.49670907     10.60149555    -14.63582289
  O     15.21859356      8.29614174     -8.80611621
  H     16.14508159     12.77660457    -14.52435906
  H     15.03546028      9.90625296    -13.34929209
  O     16.00864863      6.54059965    -12.21892855
  H     16.15996454     12.07357253    -15.90617045
  H     11.71879187      8.72519260    -13.70837011
  O     14.45411609     10.70338033    -11.78621044
  H     12.26956821      5.43579087    -15.61042221
  H     12.17182665      7.26293872    -13.81247930
  O     16.27736341      8.72977001    -17.42199910
  H     13.64711360      5.78706998    -15.00028385
  H     20.35845768      8.44653678     -9.86521845
  O     17.31019107      6.59273009     -9.80977882
  H     14.63695851      8.15035792     -8.06341500
  H     19.37007956      8.99137260    -10.91843034
  O     17.41304049     11.16391202    -16.96903927
  H     14.66804196      8.22543278     -9.60254498
  H     15.96669993      5.60237018    -15.17670779
  O     17.43734386      6.49157618    -16.06606156
  H     16.48189189      6.40027073    -11.38607158
  H     15.47796101      5.59392155    -13.70889595
  O     19.08241584     11.52969536    -14.61905773
  H     16.58119766      7.09110819    -12.76988923
  H     17.47983919     14.24884447    -12.90712038
  O     13.06466539     12.06396081    -13.72334271
  H     13.82067922     11.18813813    -12.33680074
  H     17.22897414     12.79339865    -12.45283383
  O     15.37619339      9.73025009    -14.23476696
  H     14.09024047      9.84973228    -11.51983617
  H     18.23495931     10.47926996    -11.95116157
  O     11.95875819      7.95835156    -13.17683999
  H     15.34390140      8.67759145    -17.18017107
  H     19.18173542     10.45761794    -13.17092917
  O     19.43046212      8.50646489    -10.07894854
  H     16.68315658      7.92177420    -17.08544099
  H     16.62952379      9.60161071     -8.81092707
  O     15.24240410      5.31990337    -14.60670700
  H     16.64705932      7.10489920     -9.32991467
  H     18.13715738      9.60537148     -9.13265919
  O     17.35659681     13.36086290    -13.23268789
  H     18.08629509      7.16244367     -9.88077832
  H     14.29839836      8.92515823    -15.43827281
  O     18.94848772      9.97232777    -12.36571531
  H     17.74949860     11.47861222    -17.80462317
  H     13.41987141      7.73561531    -15.93532928
  O     17.39811805     10.17983730     -8.89849865
  H     17.03313461     10.28486436    -17.14114031
  H     13.11525217      7.97980755    -11.81889967
  O     13.73420835      8.61991366    -16.16697500
  H     17.60051662      7.06187533    -15.29388303
  H     14.58076693      7.50424005    -11.60788674
  O     13.87732353      8.04884148    -11.22528383
  H     18.25611289      6.03788379    -16.25080831
  H     10.88178442     10.18355920    -15.75433863
  O     11.61162287     10.07747144    -15.14890572
  H     18.60214797     12.26167197    -14.21065741
  H     12.31660284      9.62188511    -15.63742414
          69
 Energy    -248.07918114956863     
  O     10.51483781     12.76158276    -12.32215096
  H     10.03679875     11.95694941    -12.08756929
  H      9.51783324      9.99054286    -10.77339402
  O     15.35163023      9.57986275    -17.71490809
  H     10.71362756     12.69036520    -13.26330830
  H     12.95465787     12.61808311    -14.02809012
  O     11.41084704      8.93610753    -12.73519492
  H     15.69375312      9.11824281    -18.47521266
  H     13.44759878     11.92238350    -12.73476516
  O     15.22048292      9.36188170    -14.91747391
  H     14.40363393      9.73386779    -17.88039584
  H     16.21343394     10.72754721    -10.98386881
  O     12.01407869     11.66812351     -9.05679023
  H     12.04082765      9.53810088    -12.30474558
  H     15.82254907      9.24993687    -11.33740596
  O     15.46058886     12.34552796    -16.90161168
  H     10.53809325      9.25276350    -12.47491380
  H     15.47780693      8.35164737    -13.48190973
  O     12.38190080      9.66153580    -15.18093586
  H     15.61164189     10.20624864    -14.64740268
  H     16.26761989      7.20075571    -12.82124054
  O     12.51094523      7.78653869     -8.84407176
  H     15.34318373      9.29414668    -15.87290161
  H     14.41771179     13.65018518    -12.16185582
  O     13.11132200     10.68846744    -11.48511379
  H     12.12406697     12.58546537     -9.32952372
  H     13.93919889     14.12446386    -10.80679276
  O     10.28613925      9.56415027     -9.29024051
  H     12.83717782     11.32282377     -8.67733116
  H     12.44740131      7.60152995    -11.94574757
  O     16.95079938     12.37138055    -11.48064430
  H     15.85403510     12.31763603    -16.02071893
  H     13.96486305      7.33711649    -11.83807717
  O      9.19396986     10.26707181    -11.65075471
  H     15.56082738     11.45476518    -17.25936570
  H     11.80146588     12.69283563    -15.86347245
  O     13.70363061     12.55201946    -13.42657306
  H     13.33291469      9.58690181    -15.03205827
  H     11.69416657     11.37784248    -15.06707513
  O     15.68924043      9.96586938    -10.70402128
  H     11.95117228      9.28393316    -14.40158980
  H     16.67544734     12.01524563    -13.38637771
  O     15.64100055      7.89730087    -12.63881863
  H     12.75494265      7.52021007     -9.74729065
  H     15.27097871     12.13389557    -13.99635885
  O     14.74652735     13.96893501    -11.30798686
  H     12.48081953      6.98688741     -8.32470341
  H     12.82846988     13.76503123    -18.00312994
  O     13.11797861      7.13919149    -11.42386851
  H     13.98329405     10.39385578    -11.19223835
  H     13.79331590     12.86376314    -17.20080783
  O     11.47605195     12.32141571    -15.03342802
  H     12.64665884     11.00754042    -10.70146609
  H     14.81694933     10.03997991     -9.01236683
  O     16.18111260     11.85265284    -14.19568123
  H     10.91969978      8.85544377     -9.13239392
  H     13.62022881      9.29433263     -8.40046036
  O     12.85445941     13.02632423    -17.40052167
  H     10.77436855     10.37909718     -9.09524032
  H     11.49091140     13.66450363    -11.12096486
  O     14.14503268     10.10254101     -8.32190992
  H     16.20378287     12.97916213    -11.33188454
  H     11.52534712     14.90395905    -10.20399115
  O     12.00774191     14.11172368    -10.42705106
  H     17.71536264     12.77804265    -11.08114444
  H     12.63764548     11.14863764    -17.88523139
  O     12.71651804     10.18712715    -17.90165804
  H      8.24731272     10.15543177    -11.64142620
  H     12.43530356      9.89083826    -17.02361297
          69
 Energy    -248.07915605895747     
  O     12.95368642     11.86188220    -10.40126239
  H     13.03196357     12.70324555    -10.87294962
  H     11.98854762     14.36701500    -12.91694273
  O     10.99191057     12.08772232    -15.24287407
  H     12.03010711     11.77620908    -10.13628298
  H     17.11988259     14.20783948    -18.35012730
  O     13.46220025      9.66452687    -12.12441700
  H     11.11281228     12.84892244    -14.65714520
  H     15.87351062     13.37255944    -17.95655892
  O     18.23033229     12.03792277    -13.47183635
  H     10.26249642     11.56943146    -14.88032683
  H     14.17852298     14.62295542    -11.41794734
  O     10.19977512     11.58029874    -10.00641512
  H     13.29898139     10.43928005    -11.56549192
  H     13.84676047     13.64606529    -12.56308723
  O     10.58926908      9.47083809    -11.91684549
  H     13.34284221      9.93287921    -13.04844620
  H     12.82343811     16.65417582    -15.87307445
  O     13.21389969     10.53292719    -14.77283728
  H     17.55734580     11.51069044    -13.00895542
  H     13.75432760     15.48343859    -15.48714793
  O     15.92796844     14.87853167    -10.68395984
  H     19.07937618     11.72323339    -13.17025763
  H     14.90241290     13.32738975    -14.44698174
  O      9.06667198     10.65278976    -13.83092819
  H      9.86263429     12.14691724    -10.72356114
  H     14.09841021     11.98903396    -14.24461496
  O     15.41948565     14.87559087    -15.32627300
  H      9.59591170     11.67104107     -9.27457988
  H     17.14531332     12.31972701    -16.58488159
  O     14.50564437     12.43402112    -18.35366518
  H     10.44780461     10.05743920    -11.16301379
  H     17.57931362     11.69038628    -15.23854960
  O     11.33168396     14.37249391    -13.62828822
  H     11.54273706      9.33915666    -11.97816816
  H     12.35897447     14.33693997    -16.85896456
  O     16.65039955     13.84721110    -17.60367461
  H     13.73680675     10.29037761    -15.54791676
  H     11.67102133     12.96662327    -16.75676017
  O     13.44382347     14.18378487    -11.86031566
  H     12.41311993     10.99626265    -15.05546608
  H     15.80974900     10.49601150    -16.53435130
  O     12.82400581     15.73573886    -15.61444588
  H     15.90759008     13.96963506    -10.33420145
  H     15.29431449      9.21633208    -17.23544135
  O     14.60622385     12.67901544    -13.79754438
  H     16.20062545     15.44303524     -9.96539915
  H     15.37900004     10.18728205    -12.18773647
  O     17.17495725     11.49126401    -16.08987379
  H      9.61151408     10.15537000    -13.19463046
  H     15.60025784     11.56511718    -12.82076295
  O     12.19019532     13.52457013    -17.34999544
  H      8.32259625     10.09906298    -14.05041527
  H      9.90151736     13.57830588    -12.65046810
  O     15.00746218     10.03673789    -16.84272854
  H     16.07940443     14.96304609    -14.62062042
  H      9.09495340     12.26675575    -12.77665822
  O     16.05073785     10.86582731    -12.31800956
  H     15.87760308     14.60237076    -16.13150733
  H     16.81934346     14.82276968    -12.37493122
  O      9.32345925     12.97728930    -12.16397741
  H     13.65617916     12.80979827    -18.07642122
  H     17.61984767     13.87558691    -13.29962117
  O     17.19931874     14.74297532    -13.25869033
  H     14.56409067     11.55883010    -17.95524885
  H     15.99490159     11.74427359    -10.62910486
  O     15.69181136     12.28777797     -9.89070636
  H     11.71123245     14.93003728    -14.31902309
  H     14.74759242     12.09130029     -9.82088611
          69
 Energy    -248.07915586548455     
  O     -6.00789976      2.91445874      0.09408216
  H     -5.06007804      3.06059409     -0.03157415
  H     -0.36067281     -0.18456145      4.00615799
  O     -4.78259835      3.27579533     -4.20127750
  H     -6.21249160      3.23505172      0.98155980
  H      0.04495717      1.79775341      2.99216398
  O     -6.30517964      3.57026830      2.80492049
  H     -5.56701143      3.03490806     -3.67862190
  H      0.02022291      1.51668510      1.48262998
  O     -3.33173371     -2.26313222      2.94395440
  H     -5.07191362      3.93362032     -4.82674852
  H     -3.19910395      2.28581412      0.43087930
  O     -4.55646968     -1.30402383      0.58163288
  H     -6.81781023      4.23585707      3.25560483
  H     -2.65537151      3.72276286      0.36613583
  O     -6.84725021      0.25887164      0.36664954
  H     -5.37141640      3.73285185      3.03147720
  H     -1.46439246      0.28341366      0.80548578
  O     -3.75168485     -0.56791693     -2.03031089
  H     -3.86929500     -1.79703584      3.59515501
  H     -0.68905843     -0.47010822     -0.30778369
  O     -2.94804094      2.03482680     -2.61382442
  H     -3.77373063     -2.12156857      2.09696432
  H     -6.84948034     -1.09767519     -2.97362609
  O     -0.65682442     -1.49826608      2.95275423
  H     -4.22703133     -1.15579097     -0.31426089
  H     -5.55789721     -0.54708968     -2.33293252
  O     -1.03242492     -1.31793112     -1.99562206
  H     -5.41378809     -0.85810807      0.62131516
  H     -3.54635939      0.65253723      4.50650462
  O     -4.87928801     -0.60716940      4.71793839
  H     -6.54251844      1.17538653      0.28263233
  H     -2.04221153      1.09432583      4.42601867
  O     -0.26810223      0.64309616      4.51530455
  H     -6.95835821     -0.06094191     -0.53641340
  H     -6.54218440      1.70565425      3.11039157
  O      0.06891105      2.23156188      2.13095988
  H     -2.89542885     -1.01159149     -2.06777743
  H     -6.85389752      0.46466645      2.25340088
  O     -3.23036330      3.10233890     -0.09519591
  H     -3.56366835      0.36197060     -2.22696933
  H     -3.61275892      0.10181843      1.25553114
  O     -0.58255969     -0.01655879      0.53422445
  H     -2.99766745      2.48881994     -1.76134115
  H     -3.01873835      1.01813509      2.37628194
  O     -6.52109853     -0.43332895     -2.37249260
  H     -3.53596224      2.49276198     -3.23205811
  H     -0.90914510      3.65654642      1.83640910
  O     -2.94647819      1.34107632      4.19225230
  H     -0.52161433     -1.13467222      2.06872872
  H     -0.92669304      5.19342519      1.67970270
  O     -6.61847176      0.74409595      3.14648776
  H     -1.56037748     -1.84732201      2.97039297
  H     -6.63712832      2.70714053     -1.66605879
  O     -3.05438749      0.87062204      1.42316338
  H     -0.76407982     -0.54851259     -2.52973289
  H     -6.80349579      1.47110004     -2.57550363
  O     -1.48700908      4.42225669      1.66736552
  H     -0.51262863     -2.05991562     -2.29345955
  H     -3.42998142      3.04445754      3.80938076
  O     -6.80653904      2.43545840     -2.57820256
  H     -5.33788182     -0.93051107      5.48871465
  H     -2.97538886      4.17208409      2.86282380
  O     -3.70197740      3.89324427      3.43062924
  H     -5.54310552     -0.15464423      4.16645861
  H      0.13971418      1.65974716     -3.42084845
  O     -0.52178309      0.97773626     -3.33998839
  H      0.34555241      0.46633183      5.22218397
  H     -1.35731807      1.43241535     -3.13900807
          69
 Energy    -248.07878783432000     
  O     16.24485737      3.72957614     -9.59957696
  H     16.82726077      3.61856621     -8.85172495
  H     13.40107223      7.98634123    -15.45373496
  O     14.96883961      8.02289545    -16.37760593
  H     16.69339727      4.34816000    -10.19655402
  H     16.32739307      9.36612586    -11.14408129
  O     17.47176044      9.34460941    -14.10929836
  H     15.69741177      7.48077422    -16.05277932
  H     16.66980849      9.84129447    -12.59599395
  O     14.18312173     11.93273359    -11.86290262
  H     15.30532594      8.92760843    -16.38643756
  H     13.96972094      7.81946161    -11.61343425
  O     11.30510788      6.38173367    -12.99904192
  H     17.30064661      8.42557352    -14.35969618
  H     14.86165092      8.78998117    -12.41768261
  O     19.29587145      5.92764393    -13.28465433
  H     17.08476726      9.89035145    -14.80543041
  H     14.49939040      4.28834748     -9.77465769
  O     12.79359485      4.14540799    -12.62262191
  H     14.90503219     11.28536510    -11.78749438
  H     13.34413359      4.40789733    -10.80213716
  O     16.47515060      7.92196624     -9.98243875
  H     14.42106153     12.67525022    -11.31345212
  H     19.56957646      8.70564870    -11.68380435
  O     11.66547427     10.58249143    -11.99240188
  H     11.65721220      6.90861703    -13.72822090
  H     19.06783399      8.96449808    -13.13246211
  O     13.98436222     11.79453099    -14.70242321
  H     11.20659429      6.98104052    -12.24922190
  H     14.78772110      6.46255562    -13.02497645
  O     11.46346489     10.49774562    -14.82907310
  H     20.10516589      5.45531518    -13.45785262
  H     14.38412972      4.96802953    -13.10942054
  O     12.71328730      8.09131313    -14.78116285
  H     19.54574540      6.83738545    -13.03800813
  H     15.29301650     11.11876945    -15.60770508
  O     16.11021464     10.01610437    -11.82537284
  H     12.20068044      4.90647661    -12.75800307
  H     16.26858899     11.27920299    -16.79790404
  O     14.22459953      8.07351791    -12.51115104
  H     12.33939050      3.37811291    -12.95947016
  H     16.34620245      6.20103024    -14.40563296
  O     13.65275409      4.72369671     -9.94519188
  H     16.74855334      7.12177537    -10.45517067
  H     17.87600277      6.34078636    -14.51329891
  O     19.73175768      8.49313546    -12.61367356
  H     15.54150196      7.80649702     -9.76323674
  H     19.30914575      9.38853775     -9.12365156
  O     15.12027290      5.57703109    -13.23749692
  H     11.48545174     10.61617880    -12.94005646
  H     18.17685275      8.58569899     -9.78046540
  O     16.02332748     10.69061352    -16.08909233
  H     12.49725481     11.05393216    -11.86345877
  H     11.31383364      9.08801648    -11.18698231
  O     17.04733038      6.67182782    -14.88054427
  H     13.09805040     11.43491142    -14.83199014
  H     10.32163448      8.31751276    -10.28505055
  O     19.06966147      8.93276153     -9.92687425
  H     14.07090602     11.94961447    -13.75431092
  H     16.44491788      5.52658670    -12.01804647
  O     11.13781141      8.22562716    -10.77008472
  H     10.73035699     10.51345705    -15.43808715
  H     17.98572341      5.66986466    -11.96418524
  O     17.19574620      5.62334761    -11.41298231
  H     11.85586959      9.60797668    -14.88057690
  H     12.78443140      7.73109707     -9.98599818
  O     13.69378953      7.42919888     -9.87323183
  H     13.18740143      8.15768181    -13.93697020
  H     13.66559902      6.45857204     -9.82620883
          69
 Energy    -248.07872353111699     
  O     16.37090241     11.88380633    -10.55743539
  H     16.44653552     12.26147396    -11.44240238
  H     14.68020653      5.14800567    -14.85237903
  O     11.55460987      7.37704408    -10.44387579
  H     15.43973337     11.95584999    -10.31658824
  H     17.30345895      5.45465799    -13.32479447
  O     17.80336186      8.89085224    -15.03789796
  H     12.09689219      6.64373855    -10.78117249
  H     16.96510907      6.75642464    -12.52516387
  O     17.12139183      8.54901416    -12.39235612
  H     10.64815749      7.12695888    -10.59823948
  H     14.30739146     10.24054417    -12.57338092
  O     16.87650759     11.52374742    -15.35442912
  H     17.64724286      8.78512107    -14.08787752
  H     14.10491059      9.20962996    -11.43105875
  O     13.35978201      9.29012567     -9.75700145
  H     17.01484147      8.56206124    -15.49179468
  H     13.04181731     12.44314679     -9.43604060
  O     15.42829377      8.12784066    -16.34573667
  H     16.19369219      8.83080919    -12.38379176
  H     13.40461623     11.01789093     -9.91502295
  O     14.80665772     10.75488445    -17.16837924
  H     17.50900049      8.87854051    -11.57318185
  H     14.02028559      5.33829232    -10.84453990
  O     15.63630083      5.36942460    -16.53373798
  H     16.19881625     11.36614688    -16.02240837
  H     13.45940294      5.25420638    -12.27724902
  O     13.46004025      7.93579072    -14.41005398
  H     17.33813350     10.68217473    -15.24564067
  H     12.85185446      9.66787058    -15.00533711
  O     15.79039112      5.35857585    -10.09586124
  H     14.11062497      8.81972623     -9.36262324
  H     13.02661199     11.11851003    -14.48541025
  O     14.38567536      5.34200107    -13.95532472
  H     12.65103039      8.65214085     -9.92607490
  H     16.39428572      8.47454923     -9.23595407
  O     16.79085198      5.80705750    -12.58160967
  H     14.74218282      8.07064585    -15.66274448
  H     15.70786784      7.08442359     -9.31125694
  O     14.49890293      9.33322063    -12.30415269
  H     15.27701794      8.96181648    -16.80648475
  H     17.26515518      5.01664933    -15.52620226
  O     13.52341640     11.96588721    -10.10613679
  H     14.48267651     11.16347915    -17.96617622
  H     18.65971512      5.59969772    -15.21151872
  O     13.20593315      5.40071150    -11.35831629
  H     14.06875045     10.75498449    -16.53108642
  H     18.53413857      9.89202162     -9.40830283
  O     12.87631172     10.59300611    -15.28211373
  H     15.60966914      6.33916700    -16.58219158
  H     17.28115090     10.47292899    -10.10618888
  O     15.60650727      7.98336316     -8.97483928
  H     15.45451222      5.04711913    -17.41308473
  H     16.55238077     12.47395278    -13.96274892
  O     17.98207438      4.99197987    -14.88223478
  H     13.59653577      6.99326070    -14.25155672
  H     16.59924476     13.89347387    -13.35376276
  O     17.76267206      9.64810122     -9.91227271
  H     13.78522223      8.38528029    -13.61523107
  H     19.11279943      7.74119349    -15.54855959
  O     16.29515188     13.00503506    -13.18755961
  H     16.15205242      4.57456549     -9.68985734
  H     20.56966380      7.36783248    -15.86534597
  O     19.69433431      6.99947702    -15.77950795
  H     16.21848813      5.44641210    -10.96506550
  H     13.48980266     12.06796430    -11.99190374
  O     13.71024322     11.95099283    -12.92549725
  H     15.19569341      5.51003818    -13.45030897
  H     14.54899126     12.40988725    -13.07146572
          69
 Energy    -248.07870734084048     
  O     20.95398741     11.28238920    -10.38369978
  H     20.33554911     10.86976718     -9.75505232
  H     18.80743468     10.23999091    -12.60236050
  O     17.45969094      7.76966655     -9.69765785
  H     21.09117160     12.17728800    -10.08501666
  H     22.63753148      8.56991576    -10.41602963
  O     17.98022602      3.71696970    -11.77990992
  H     18.21576239      7.72422618    -10.30640065
  H     22.34406921     10.02260502    -10.82482424
  O     19.68305372      5.44485018    -13.16138724
  H     17.67758927      7.22965191     -8.92534550
  H     18.54047151      6.79746787    -16.20881937
  O     21.72440336      7.24407223     -9.52183572
  H     17.50838476      2.91054071    -11.96973483
  H     19.35095725      7.53425189    -15.11451303
  O     16.29473299      5.79216756    -11.38111935
  H     17.31301454      4.41187135    -11.63614283
  H     19.02624073      4.03218290    -10.20400281
  O     22.40836306      5.33510457    -12.64129326
  H     19.09964546      4.76915133    -12.79455424
  H     20.43052179      4.34028934     -9.62948052
  O     20.34885377      8.02304637     -7.22100278
  H     19.26551944      5.82245768    -13.94579836
  H     14.65806155      8.20002214    -12.92079769
  O     22.24623134      4.53200328    -10.07831256
  H     20.97839364      7.36062465    -10.12953019
  H     14.35292095      8.88387719    -11.57716507
  O     19.61887552      7.59029028    -11.34358438
  H     22.00686340      6.32663723     -9.61051474
  H     16.51688888     10.21096246    -11.77468219
  O     19.19941942     10.02729334     -8.72027482
  H     15.33204702      5.73127729    -11.28214342
  H     16.84922260      9.33064778    -12.98790608
  O     19.76415329     10.07834470    -12.61422816
  H     16.61817876      6.43295361    -10.73718484
  H     16.43295451      6.94229591    -12.89862222
  O     22.89942294      9.26426081    -11.03701963
  H     21.48576102      5.30785269    -12.93168405
  H     17.10661221      7.39732978    -14.21893006
  O     18.59890454      6.93096276    -15.26673508
  H     22.74441175      6.19940156    -12.90764571
  H     24.01978648      8.20070660    -13.77940767
  O     19.48981770      4.32887199     -9.41299547
  H     20.95896602      7.76177605     -7.92653163
  H     23.08541452      8.46859702    -12.58005864
  O     13.95394091      8.35213781    -12.27777969
  H     19.67660191      7.33243957     -7.20630429
  H     16.14112818      8.96931350     -9.98909712
  O     17.06676746     10.17283783    -12.56414442
  H     22.97484516      3.96258620     -9.84748228
  H     15.34795512     10.18099037     -9.45134998
  O     16.41981261      7.62585872    -13.58100095
  H     22.36122183      4.77315199    -11.01585938
  H     20.36556528      9.19657514    -14.05558017
  O     23.17429090      7.96276921    -13.40734659
  H     19.73059780      8.42418458    -11.82016249
  H     21.55331908      8.27304586    -14.36184321
  O     15.49574750      9.65261891    -10.23221966
  H     19.67011727      6.86826905    -11.98191346
  H     18.74572671      5.40711133     -8.28076840
  O     20.67849385      8.52429051    -14.67919722
  H     18.50731052      9.47855355     -9.09543991
  H     17.86306037      5.52866856     -7.01573623
  O     18.29014189      6.04085365     -7.69708544
  H     19.64687377      9.44892279     -8.08258402
  H     12.68544625      5.54932424    -11.26141925
  O     13.58150593      5.86931419    -11.21351106
  H     20.17345646     10.61827176    -11.92885514
  H     13.57140904      6.76398424    -11.59697181
          69
 Energy    -248.07861827239071     
  O     12.62838621     11.41078844    -17.16785556
  H     13.30290647     10.85961754    -17.58247218
  H     18.92360509     11.18214821    -14.16726402
  O     17.60035998      6.33528556    -14.22740906
  H     13.05138612     11.82205769    -16.40358877
  H     15.43011101     11.58558241    -15.85839030
  O     18.96896328      9.73345603    -11.15506030
  H     17.57017925      7.19553419    -14.66118853
  H     15.77984832     10.83068392    -17.16808635
  O     18.13222580     12.66944367    -15.01620257
  H     17.77408363      6.51913103    -13.29122204
  H     14.34407926      9.38259454    -13.19034281
  O     15.28275947      5.17699319    -14.90753005
  H     19.77853730      9.95206744    -10.70159131
  H     14.95362636      8.00244731    -12.80290604
  O     14.33241751      9.21066121     -9.72649781
  H     19.09995884      9.96215685    -12.09290476
  H     11.25469080     10.29774341    -17.00102542
  O     14.39320408      6.26421192    -12.43970402
  H     17.49477244     12.25434617    -15.61988318
  H      9.76445585      9.92509396    -17.10780792
  O     12.73701762     10.18679765    -13.43245123
  H     18.46382519     13.44543960    -15.46175348
  H     18.33814169      7.94937861    -11.38130812
  O     15.57907569      6.65129356    -10.02131577
  H     15.37296831      4.25957238    -15.14955399
  H     17.22113401      6.96840885    -10.97083638
  O     16.91509967      8.95358609    -15.09725535
  H     16.17431054      5.50112358    -14.67557419
  H     11.72400903      7.27291119    -13.45135331
  O     14.65904318      7.58623434    -16.23677352
  H     14.76753346      8.34921671     -9.71704274
  H     11.69019566      7.70697542    -11.96212102
  O     19.10119012     10.30755272    -13.79913071
  H     14.99126096      9.83362964    -10.05931434
  H     16.83647219     12.84215972    -13.51755020
  O     16.16927751     11.28550869    -16.41293009
  H     13.43347468      6.40732283    -12.45129725
  H     16.13687535     12.16852012    -12.31225201
  O     15.17452319      8.90984713    -13.04603790
  H     14.63763587      5.79760986    -13.24612829
  H     17.21899819     10.39607697    -11.04392294
  O     10.61986466      9.57113542    -16.88086158
  H     12.40421539      9.50336146    -14.03215638
  H     15.94458755     10.00520885    -11.82712139
  O     17.94603518      7.09432587    -11.59367128
  H     12.36581374     10.01597469    -12.55769209
  H     14.70214973      9.30386889    -19.05450080
  O     11.77307352      6.94096240    -12.54354658
  H     15.13403626      6.41364452    -10.85375513
  H     14.58800516      8.83690926    -17.58833919
  O     16.01971615     12.82961796    -13.00713863
  H     15.49214273      5.89980189     -9.43972640
  H     11.25932607      9.65799565    -10.29074509
  O     16.29676127     10.64247888    -11.18687818
  H     16.74436579      9.77285591    -15.57996162
  H     12.75024262      9.28298995    -10.45294647
  O     14.67302256      9.62022700    -18.15442512
  H     16.35581197      8.96896259    -14.30084982
  H     13.53500391     11.50329902    -14.33479702
  O     11.89489853      9.32207801    -10.91703390
  H     15.40937805      8.05593401    -15.84885169
  H     14.68969987     12.51480871    -14.16672025
  O     14.09162643     12.12668022    -14.82322831
  H     14.75543206      6.67349800    -15.93536015
  H     12.90511755      7.90590775    -15.52606587
  O     12.06018999      8.09142261    -15.10042816
  H     18.49524440      9.71463461    -14.25823735
  H     11.48428980      8.51605080    -15.75450737
          69
 Ord_Energy   -248.078537    
 O   -5.53287268      -6.01210546       3.99027562    
 H   -4.80494499      -6.64550877       4.00806093    
 H   -6.31107140      -6.48046970       4.32703924    
 O   -5.79787397      -9.33125210       5.66341066    
 H   -5.01693726      -9.01160145       5.19481945    
 H   -6.54229259      -8.82169342       5.31474066    
 O   -10.3731737      -5.44314337       7.09842587    
 H   -10.3691149      -5.63426924       6.15265703    
 H   -9.68923187      -6.00991106       7.47512484    
 O   -6.76781940      -3.86703777       2.68340898    
 H   -6.26702785      -4.66040039       2.91146445    
 H   -7.24737978      -3.63359737       3.49230552    
 O   -7.11436415      -4.19434977       7.51089764    
 H   -6.22482300      -4.17418861       7.12746811    
 H   -7.28245640      -3.36930513       7.97972727    
 O   -6.77287388      -1.11378181       6.05068254    
 H   -7.16656351      -1.12318742       6.93204880    
 H   -7.19148684      -1.84340596       5.57438755    
 O   -7.18318748      0.173760295       3.55427814    
 H   -6.47136450     -0.318881869       3.11816335    
 H   -7.07551241      -5.60171995E-03   4.49486303    
 O   -8.17142677      -3.41060185       5.02736092    
 H   -7.99193525      -3.74891853       5.91567230    
 H   -9.03990555      -2.98260832       5.01135921    
 O   -10.3339024      -2.67942071       7.39515924    
 H   -10.6476612      -2.38414001       6.53291750    
 H   -10.4069672      -3.64617419       7.39258766    
 O   -3.57073140      -6.76779127       7.05040979    
 H   -4.23970175      -7.22678328       7.57317924    
 H   -3.90993261      -5.87872696       6.88124800    
 O   -10.6540785      -2.20700598       4.60777473    
 H   -10.3628645      -1.50514817       4.00933313    
 H   -11.0827084      -2.86772323       4.04882622    
 O   -7.92937469      -6.79028130       7.75676012    
 H   -7.62070084      -5.87034655       7.76624584    
 H   -7.19917250      -7.33462477       8.07460690    
 O   -3.54471946      -7.91684532       4.58261156    
 H   -3.44376206      -7.53043795       5.47163486    
 H   -2.67486525      -8.17519760       4.29125261    
 O   -4.75049877      -4.37028790       6.12528610    
 H   -4.41393709      -3.51188374       5.84149122    
 H   -5.02004337      -4.86181688       5.33550310    
 O   -7.72655439      -7.37286377       5.03735495    
 H   -7.81617546      -7.20399284       5.98700047    
 H   -8.51824379      -7.00324297       4.62760782    
 O   -8.06495953      -1.70529044       8.46007538    
 H   -8.92864037      -2.01140547       8.12304592    
 H   -8.21959782      -1.34232867       9.32727623    
 O   -11.3998146      -4.14226818       2.63965678    
 H   -10.6381254      -3.80521011       2.13183308    
 H   -12.1118059      -4.27573299       2.02071571    
 O   -5.64250183      -8.39160442       8.21944904    
 H   -5.49620056      -9.08342934       8.85956955    
 H   -5.69672871      -8.82337189       7.34771967    
 O   -9.62374973     -0.471971303       2.65404987    
 H   -8.74241447     -0.186130196       2.95493555    
 H   -10.0040560      0.264893174       2.18353462    
 O   -5.18951845      -1.53147852       2.68041229    
 H   -5.66420841      -2.36393285       2.54979038    
 H   -4.67276001      -1.64844739       3.48512387    
 O   -9.21274567      -3.06318688       1.48157692    
 H   -9.25924778      -2.14258671       1.76931620    
 H   -8.33104992      -3.38246918       1.71212006    
 O   -4.15756607      -1.73030925       5.39774466    
 H   -3.51910448      -1.08666289       5.69593716    
 H   -5.03121471      -1.41363907       5.68279791    
 O   -9.80200005      -5.70523643       4.30083895    
 H   -9.17163086      -4.99336243       4.46934319    
 H   -10.4449654      -5.34108877       3.68043232    
          69
 Energy    -248.07849210496380     
  O     11.83358925     10.77093487    -15.54723697
  H     12.13706148     11.63928271    -15.25854812
  H     17.88870411      8.14509038    -12.06886760
  O     14.70460624      7.53443879    -12.97136715
  H     12.54919212     10.40154992    -16.08317909
  H     16.05799724     12.80250959    -15.47596406
  O     15.90910321     11.42199762    -10.61869895
  H     15.36944600      7.37592830    -12.28788358
  H     15.47417218     12.50751135    -16.86443571
  O     17.27657414     11.83587814    -14.47331655
  H     14.00191525      8.05842904    -12.55881738
  H     15.24937123      9.06031596    -13.90756008
  O     13.90027994      6.86375554    -17.08291804
  H     16.75089798     11.51393724    -11.08219694
  H     14.87094410      9.82787692    -15.20466403
  O     13.45950960      7.72044959     -9.57068389
  H     15.20995765     11.58698329    -11.26379390
  H     11.13244180      9.56567297    -14.54883715
  O     13.91017795     11.53392324    -12.60061586
  H     16.63299848     11.11074247    -14.41247609
  H      9.85234418      8.88755748    -13.99791236
  O     18.11188409     10.33020071    -16.66586974
  H     17.73896796     11.85297395    -13.62837974
  H     16.46960773      7.93024656    -10.35479264
  O     14.89053358      5.39737703     -9.99413801
  H     13.58453570      6.23095250    -17.72196307
  H     16.20171806      6.44267765    -10.66313814
  O     18.51136965      7.86137883    -15.28842403
  H     13.33712030      6.77304206    -16.29183410
  H     13.24433685      6.84661204    -14.06929522
  O     16.11114574      6.60956901    -15.29123564
  H     13.03722726      8.19741767    -10.29583315
  H     11.88051461      7.40605045    -14.51846112
  O     18.40599873      8.78445229    -12.57502235
  H     14.20887432      8.27015382     -9.30606981
  H     19.26115596     11.63572690    -11.58150146
  O     15.33136898     13.03519890    -16.07167201
  H     14.41139951     10.98014764    -13.21956456
  H     18.44678781     10.45118654    -12.15836038
  O     15.30695329      9.91593222    -14.34655602
  H     13.52127082     12.22866976    -13.14314790
  H     15.85513363     10.02018514     -9.63090415
  O     10.80428648      8.84673431    -13.97760191
  H     18.00284686     10.93997088    -15.92242373
  H     16.22815030      9.38893372     -8.26860861
  O     16.64505800      7.23433244    -11.00411842
  H     18.27836769      9.46755700    -16.26800005
  H     16.27357760     11.33109242    -19.04384309
  O     12.55913491      6.75616176    -14.74192426
  H     14.35927145      4.60687146     -9.96811041
  H     16.79309219     10.79513175    -17.68830111
  O     18.41539598     11.40503469    -11.95551425
  H     14.28447969      6.13698411     -9.81452334
  H     13.01918625     10.02016386    -12.02862616
  O     15.86856505      9.18640605     -9.12802151
  H     17.66034252      7.39142887    -15.33340169
  H     11.94552585      9.01941936    -12.52695037
  O     15.99834992     11.10581570    -18.15966091
  H     19.18668536      7.22329165    -15.50627448
  H     13.82836662     13.19621353    -15.20093045
  O     12.68205301      9.12129130    -11.91096481
  H     15.44775608      6.64085975    -15.99055288
  H     12.67854467     14.11891584    -14.73739940
  O     13.00698005     13.22597354    -14.67782738
  H     15.63708433      6.77470243    -14.46760998
  H     14.67836885     10.09832189    -17.40396172
  O     14.04685455      9.65152374    -16.82470509
  H     18.46099029      8.46207902    -13.48187555
  H     14.03058677      8.71289616    -17.04934510
          69
 Energy    -248.07848021841320     
  O     11.53045923     10.16732661    -16.24749771
  H     11.40892598     10.79560651    -15.52321022
  H     18.80040377      7.82250707    -15.35416157
  O     16.54597111     12.01527210    -14.37511225
  H     12.17583207      9.51766849    -15.94126891
  H     16.69913205     10.84177101    -10.19754350
  O     12.62611192     11.14041422    -18.53281908
  H     15.63756440     11.73652725    -14.17601815
  H     17.45165515      9.57487084     -9.72453886
  O     14.08796702     11.00814630    -13.77080158
  H     16.64759645     11.94345589    -15.33214308
  H     17.51798891     11.21133419    -17.29244325
  O     13.59388443     14.61270427    -12.69389907
  H     11.99206020     11.16228374    -19.24403691
  H     16.02337227     10.85534488    -17.38430466
  O     14.59333799      9.10861112    -11.71287921
  H     12.15701360     10.80831675    -17.74594858
  H     11.38818746     12.38034237    -13.28508773
  O     12.73452068     14.37210835    -15.40900669
  H     13.21445056     11.41441147    -13.82055322
  H     11.87220203     12.93068286    -14.65636778
  O     17.18010797      7.98238221    -18.03751777
  H     14.14505578     10.46764341    -12.97289353
  H     16.03519549     12.89296305    -10.67398332
  O     13.34576089     11.24751213    -10.32228987
  H     12.89210804     14.12300724    -12.25020338
  H     16.07395265     13.03880657     -9.13236512
  O     17.48666417      6.45797658    -15.81046333
  H     13.36825237     14.60557884    -13.63237164
  H     15.13026750     12.75075570    -17.24906734
  O     15.90725663      7.69760741    -13.83594108
  H     14.84317578      8.44318160    -12.36604338
  H     13.69615019     12.49710409    -17.76609676
  O     19.27605773      8.64968114    -15.21329659
  H     15.41105669      9.32911316    -11.24603025
  H     17.35996940     10.61069254    -13.62200290
  O     17.00531979      9.96240151    -10.47355723
  H     13.33280478     13.94949236    -16.05050606
  H     17.61438015      9.88776207    -12.26797480
  O     16.63394838     11.56010911    -17.12423105
  H     12.37792041     15.14437702    -15.84033034
  H     15.27260919     14.08027309    -12.34655544
  O     11.56405918     12.13297623    -14.20230613
  H     17.84909555      8.67694402    -18.00837310
  H     16.41825824     13.22836179    -12.94996285
  O     15.93323557     12.40771290     -9.83236511
  H     16.33350049      8.43930366    -18.13526993
  H     14.13149657     10.01400926    -18.31938410
  O     14.23869515     13.11723141    -17.26217015
  H     13.58668351     10.38608602    -10.68359549
  H     14.53446437      9.21227074    -17.05999975
  O     17.69645166      9.79433532    -13.22294144
  H     14.17874329     11.68314922    -10.10234382
  H     12.16197485     12.29330563    -11.06480470
  O     16.13421125     13.68292299    -12.14790929
  H     17.70001773      5.56277035    -16.05961151
  H     10.88940744     13.15097259    -10.88126990
  O     14.86102644      9.53060837    -17.91572062
  H     17.33254709      6.94805983    -16.63834288
  H     19.89260009     10.30897382    -17.85698344
  O     11.55745922     12.90797446    -11.51669734
  H     16.50545992      8.43667970    -13.65048285
  H     19.18934123      9.64085000    -16.65257574
  O     19.03482646     10.12107860    -17.48579631
  H     16.39013167      7.12681660    -14.44714613
  H     13.96149700      9.66842328    -14.95292239
  O     13.91741560      8.82814850    -15.43425558
  H     18.85073870      9.07044687    -14.45305094
  H     14.53663260      8.25350455    -14.96845454
          69
 Energy    -248.07816517679908     
  O     16.15329096      9.08057502     -9.86175913
  H     16.67381309      8.66842672     -9.15578767
  H     13.80432731      6.70303319    -16.61224455
  O     15.18683251      8.71692291    -14.25358184
  H     16.75740707      9.58426433    -10.42413442
  H     15.66949789     11.80104777    -13.73604867
  O     16.64434430      8.42236628    -17.43733877
  H     14.48286267      8.51660166    -13.62620295
  H     14.29307393     12.32643335    -14.21033607
  O     13.07209504     12.10773030    -15.65372474
  H     15.72991012      7.91945241    -14.30430941
  H     17.69181748     10.45693183    -14.82456746
  O     15.61920665      6.81781278    -11.47920315
  H     16.34607493      7.52337008    -17.25816851
  H     16.40271582      9.96732863    -14.12224275
  O     19.61845247      8.53439119    -11.61125682
  H     15.85840150      8.98016606    -17.35403939
  H     17.96316646      7.10109559     -8.80072103
  O     17.83397363     10.62909346    -11.47855093
  H     12.41940824     11.56131227    -15.17849010
  H     17.74829297      7.17038177     -7.27816744
  O     11.44906851     10.52006344    -14.17904124
  H     12.58550626     12.80456582    -16.08596427
  H     18.00139398      9.15924574    -16.64701868
  O     16.58016054      6.32079748    -14.07974783
  H     15.82424732      7.58091285    -10.92071885
  H     19.34274509      9.92180708    -16.75648365
  O     11.35170158      7.66848996    -14.52162654
  H     14.70788273      6.97232399    -11.76237968
  H     18.72676658      6.98639801    -10.86932505
  O     13.21892961      7.88991789    -12.43925184
  H     19.05464795      9.31677223    -11.49904930
  H     17.36522435      6.26001829    -10.79745633
  O     13.02279295      7.26811406    -16.61185281
  H     20.46215872      8.75057914    -11.22029481
  H     14.59443946      9.39676105    -15.80559529
  O     14.85150911     12.21839667    -13.43080785
  H     17.64606059     10.61427911    -12.42874610
  H     13.91906574     10.61505570    -16.47393572
  O     17.07007947     10.67232716    -14.12028870
  H     17.37420103     11.41060915    -11.13967673
  H     15.76684836      5.02375745    -16.91809608
  O     17.69627009      7.69122359     -8.07479683
  H     11.33082937      9.57853333    -14.35121244
  H     15.90958171      5.92379894    -15.67163037
  O     18.70636864      9.58935029    -16.12946348
  H     11.84737576     10.58512659    -13.30035988
  H     19.31305051      7.87776467    -13.35615915
  O     18.23462356      6.31337992    -10.38184264
  H     17.49357603      6.64802956    -14.11852394
  H     19.02732574      8.22210157    -14.84123752
  O     14.31183168      9.75649505    -16.66243879
  H     16.28880120      6.36085264    -13.15980750
  H     13.74118427     11.13289305    -12.42146066
  O     15.54826764      5.88624957    -16.57347616
  H     11.92364452      7.47603240    -15.28600095
  H     13.33394973     10.75787653    -10.97662318
  O     19.01418549      7.50590086    -14.19489604
  H     10.55280238      7.16216406    -14.64185338
  H     15.39111669     12.22549130    -10.24473788
  O     13.11006598     10.61253275    -11.90391704
  H     13.11475661      8.80563863    -12.14148027
  H     15.60185410     12.69876264    -11.69370542
  O     16.03987122     12.62537961    -10.83572752
  H     12.51852577      7.71328116    -13.08056879
  H     14.86136914     10.21548012     -9.47013120
  O     14.20567284     10.92646726     -9.35920160
  H     13.34744623      8.15786811    -16.80805688
  H     13.95246188     10.93004032     -8.44014605
          69
 Energy    -248.07789611580091     
  O     10.78653093     11.31663811    -12.27045996
  H     10.19606615     11.99142430    -12.59589312
  H     16.76983405      5.58513707    -16.16130036
  O     14.34741880      6.74283965    -14.76206854
  H     11.49736627     11.24484732    -12.92706407
  H     18.26928708      7.19663769    -15.92404205
  O     17.30136203     11.08649186    -11.49822384
  H     14.95128153      7.47497554    -14.56323667
  H     18.18047401      6.54328805    -14.51944325
  O     18.16876724      8.77604041    -16.99012197
  H     14.79930494      6.15601714    -15.37859005
  H     14.01316929     10.99312851    -16.74241758
  O     12.15736450      8.38748046    -15.04536559
  H     16.35495579     10.90958279    -11.59180607
  H     14.12399192     12.53521055    -16.85688499
  O     15.96091687      7.45548756     -9.53339644
  H     17.68592791     10.28627942    -11.12360201
  H     15.54110534      9.28369949    -13.25333779
  O     13.53795268      6.09433443    -12.21556586
  H     17.77393961      9.55068018    -16.55507879
  H     16.31033030      9.45437302    -14.59013285
  O     14.68008788     10.27514734    -12.03157229
  H     18.87125274      9.10415845    -17.54612778
  H     10.06657825      9.18021331    -10.01796840
  O     15.59616072      7.81728531    -17.88739313
  H     12.91596180      7.78536807    -15.05455466
  H     10.74133302      9.92223453    -11.19567704
  O     16.12005501      5.26152925    -11.37190510
  H     11.55925624      8.02811578    -14.37537882
  H     11.68120942      6.66237665    -12.57349866
  O     16.89408351     10.79671908    -15.68166201
  H     15.98260363      6.61278748    -10.00383065
  H     10.76987177      7.80796992    -12.10216679
  O     15.92335519      5.29117761    -16.54418159
  H     15.08480879      7.82577800     -9.70216961
  H     17.87881362     11.88355980    -12.94067440
  O     18.17413078      6.35153455    -15.46506688
  H     14.31611890      5.65682579    -11.85091046
  H     18.54158238     13.12298361    -13.56651225
  O     14.33651861     11.79751064    -16.29185102
  H     13.76715910      6.28304619    -13.13838069
  H     18.08729005      7.57389913    -11.99967350
  O     15.97412961      8.79800010    -13.96867535
  H     14.24701373      9.63780537    -11.44762736
  H     17.11349633      7.68873570    -13.19133839
  O     10.76440553      9.10812158    -10.66398203
  H     14.02249126     10.57923487    -12.67086002
  H     17.43648091      8.25292576    -10.02816021
  O     10.93827739      7.21596840    -12.84448533
  H     16.47452777      8.16661614    -17.69738308
  H     18.91534632      8.59405006     -9.73160746
  O     18.13398599     12.29047043    -13.78707571
  H     15.61374707      6.90840067    -17.56669623
  H     14.15696328      8.88159870    -17.57625957
  O     17.71738580      7.07760255    -12.74032556
  H     16.68945813      5.83043297    -11.91651532
  H     12.86862222      9.06288073    -16.71847850
  O     18.25701146      8.60115815    -10.42156115
  H     16.55060213      4.41183907    -11.32087583
  H     13.45419243      7.54612705    -11.12325248
  O     13.45599839      9.50755438    -17.34047274
  H     17.35751106     11.37101913    -15.05200233
  H     12.53932679      8.58888142    -10.42884888
  O     13.45695871      8.30614965    -10.52209516
  H     16.05468717     11.21223099    -15.91355397
  H     13.34448452     11.32052450    -14.75147735
  O     12.85228090     10.87822406    -14.05067379
  H     16.06468825      4.41722258    -16.89627400
  H     12.59922722     10.00612174    -14.39173961
          69
 Energy    -248.07784248961823     
  O     19.69582175      9.93443299     -7.17621248
  H     20.08742895     10.55281333     -6.56632948
  H     21.31659662      8.50429547     -9.39757715
  O     17.58674252      5.13060855    -10.11076317
  H     20.31795100      9.83470213     -7.92137994
  H     16.48394257     10.69735427    -12.12334465
  O     17.12707688      5.40418844    -13.72912010
  H     16.78705627      4.98844555    -10.63240316
  H     15.16602934     10.97330681    -12.88794425
  O     17.20206559      8.16407104    -13.55816731
  H     17.85293920      6.04702036    -10.29036838
  H     20.15100410      4.75550644    -14.38936446
  O     19.97611567      7.97153663    -12.81294042
  H     16.44342906      5.14785999    -13.09932574
  H     18.86067804      5.24617647    -13.69366637
  O     15.24225171      5.21912385    -11.61527494
  H     17.05277804      6.36737389    -13.80272697
  H     13.08761007      7.39259914    -10.49079587
  O     21.35720273      6.64442198     -9.16418896
  H     18.14481264      8.36073387    -13.50175437
  H     12.53314784      6.03530568    -10.02086964
  O     14.23861278      5.08342564     -7.41417810
  H     16.70898967      8.97168355    -13.37101333
  H     14.65003576      8.18683702     -7.93806993
  O     18.12170432      7.75025871    -10.78616798
  H     19.47885230      7.82567048    -11.99196539
  H     16.01549624      7.45832686     -8.07530899
  O     19.36008334      7.09052823     -7.10475597
  H     20.08504442      7.09932043    -13.20998196
  H     15.01548541      8.76802329    -11.54544859
  O     17.60464750      9.88724385     -9.01723178
  H     14.55802569      4.78558921    -11.09039225
  H     15.11925973      8.08085041    -10.14955548
  O     21.24339673      9.46575329     -9.32446000
  H     15.09841941      6.17127299    -11.51609837
  H     20.51368304      9.58519650    -12.37116006
  O     15.69613294     10.27567238    -12.51237169
  H     20.98099776      6.01495205     -9.80259679
  H     21.31997360     10.89866899    -12.50199198
  O     19.83407798      5.28851825    -13.66544117
  H     22.15604106      6.24010012     -8.83279079
  H     17.73868377      6.32901513     -7.25774478
  O     12.37244676      6.98699686     -9.98310785
  H     13.77423782      5.90848448     -7.22941084
  H     17.11424832      5.52897725     -8.41894748
  O     15.51910409      8.24316752     -8.35236102
  H     15.18117277      5.28385686     -7.33316117
  H     12.20796899      8.04880443     -6.93758501
  O     14.81830291      7.95821396    -11.06185956
  H     18.01845277      8.48335268    -10.16648957
  H     12.62613996      7.46554578     -8.31019407
  O     20.66718397     10.45578774    -11.96522137
  H     17.49941548      7.88361781    -11.51152776
  H     18.86906180     11.07904140    -11.61367100
  O     16.90174498      5.96548533     -7.58123623
  H     19.44789725      8.04168087     -6.97330485
  H     17.82647018     10.89171530    -10.49053673
  O     12.94098443      7.66464057     -7.40993539
  H     20.01169590      6.86318778     -7.77876598
  H     19.33196857      4.73500781    -10.57334388
  O     17.94576882     11.23626245    -11.38891043
  H     18.25529203      9.94829014     -8.30670933
  H     20.19729799      4.92399165    -11.83234155
  O     20.24454668      4.85383475    -10.87219180
  H     16.82383316      9.43151222     -8.67288769
  H     12.82487288      3.44596563     -9.74065868
  O     13.28559853      4.27591349     -9.82850722
  H     21.09541707      9.81497188    -10.20977357
  H     13.65190903      4.48800898     -8.95107773
          69
 Energy    -248.07758789797276     
  O      6.84614281     -2.62469212     -3.02314973
  H      7.05026741     -2.14125393     -2.20652844
  H     12.16194581     -1.37701186     -1.87106433
  O      8.20605936     -3.46129192      0.97203179
  H      6.72051663     -1.94106854     -3.69314708
  H     10.82075979     -2.97984210     -7.64693430
  O      7.46816292     -1.26503389     -0.72735052
  H      7.77774226     -3.73377429      1.77863590
  H     11.12617344     -1.52817470     -8.06727770
  O      8.01333984     -1.32125964     -7.17138033
  H      7.81569984     -3.99273731      0.25282227
  H      9.52870575     -4.96150705     -3.20245924
  O      7.32917873     -4.81328545     -1.20957761
  H      7.74647687     -1.86409446     -0.02523693
  H     10.77110411     -5.63452429     -2.54553965
  O     13.96779132     -2.10745127     -6.69588132
  H      8.10162757     -0.53809871     -0.75078583
  H      9.47526114     -3.20653699     -4.47162151
  O      6.81446414     -0.50183470     -4.88291809
  H      8.32895388     -2.22796521     -7.26115165
  H      8.03434248     -3.54609130     -4.03484531
  O     12.56960279     -5.64467490     -2.70435402
  H      8.69931389     -0.76293474     -7.55811407
  H     12.13982861     -3.09036963     -4.51653877
  O      9.20044456     -3.92914786     -7.21686953
  H      8.12571967     -5.20014655     -1.59741918
  H     13.44934526     -3.24173230     -5.31544001
  O     10.69733180     -2.00375754     -4.30683078
  H      6.99441575     -4.18093297     -1.85824079
  H     13.74768514     -4.34919335      0.42274927
  O     10.64750179     -3.65209747     -0.36361661
  H     14.64666655     -2.20409321     -7.35798968
  H     12.43946175     -3.91029077     -0.27081765
  O     11.22547221     -1.27285314     -1.65554022
  H     13.11287135     -2.20700851     -7.15331773
  H     10.58090121      0.34107682     -7.18342143
  O     11.54092626     -2.37589645     -7.86146253
  H      6.02354428     -0.02726075     -5.12782408
  H     10.38241709      0.92097295     -8.60671154
  O      9.85109604     -5.37438636     -2.38990973
  H      7.22486290     -0.80328194     -5.71266145
  H     11.95345177      0.45610647     -5.14843429
  O      8.79495072     -3.89877248     -4.51648115
  H     12.99268719     -5.25540938     -1.93158650
  H     10.41956815      0.82074854     -4.91101298
  O     12.97690317     -3.57761919     -4.54447662
  H     12.77011057     -5.04401029     -3.43650459
  H      9.86546515      1.39320995     -0.52358653
  O     13.39523351     -4.02589684     -0.40282175
  H      9.02362557     -4.03832413     -6.26722527
  H     10.16561867      0.06392915     -1.25798268
  O     10.26435879      0.13403015     -8.08257922
  H      8.91111626     -4.73248143     -7.64247333
  H     13.87550183     -2.61560865     -1.63322488
  O     11.07464404      0.49972464     -5.55053201
  H     10.77310422     -1.21961575     -4.86304960
  H     13.61139456     -2.57077220     -3.14421144
  O      9.47094139      0.71955095     -1.07149333
  H     10.76420204     -1.70460967     -3.39065802
  H     13.81857390     -0.56853535     -3.80795906
  O     13.80477863     -2.00738144     -2.37964843
  H      9.89553567     -3.56181211      0.23416381
  H     13.82248179     -0.72744151     -5.33926618
  O     13.60683077     -0.10971425     -4.62756827
  H     10.36747926     -4.24578092     -1.07700700
  H      9.06702988      1.02064570     -2.90850398
  O      9.01507900      1.06560308     -3.86975631
  H     10.95720123     -2.06758739     -1.17271274
  H      8.24662194      0.54456873     -4.13316335
          69
 Energy    -248.07757055426379     
  O     15.22683419     10.27471336    -13.91481406
  H     14.38621352      9.82838194    -13.96835361
  H     16.51791081     12.30208710    -15.87607736
  O     18.09393945     15.19474185    -15.91103855
  H     15.80492569      9.71145956    -13.36917996
  H     20.24779835     10.11405114     -9.64174789
  O     20.96639203      9.32027194    -15.77525136
  H     18.72403359     14.78021264    -16.51268320
  H     19.88599477     10.04241441     -8.13645257
  O     20.02672459     13.07471667    -10.03597208
  H     18.54230686     15.28878963    -15.06026230
  H     21.17425228     16.26792943    -10.89647034
  O     21.18121395      9.62837597    -11.01103882
  H     21.70891344      8.84626677    -16.14196286
  H     21.35629528     17.52782029    -11.77630931
  O     17.27935228     10.70816281    -10.39982827
  H     21.33171759     10.09848914    -15.31753572
  H     21.39985293     12.52257902    -11.20190119
  O     19.31638760     11.21514894    -17.21740322
  H     19.25456954     13.18619806    -10.60830237
  H     22.57333883     13.01045331    -12.07823391
  O     21.49358575     14.23944978    -15.19816061
  H     19.90735052     12.25316445     -9.54176115
  H     17.78630162      8.61031186    -12.66995750
  O     21.08388043     15.50520723     -9.33306460
  H     21.66853134     10.40558115    -11.31234436
  H     16.99298757      9.41420221    -11.61510648
  O     21.64928415     11.60225823    -14.44639717
  H     20.68995389      9.29103709    -11.77161325
  H     20.18101672     13.98194465    -18.45742423
  O     15.49929977     13.03744815    -13.03463684
  H     18.04424356     10.59735445     -9.82131197
  H     19.78288989     12.87420425    -17.45402889
  O     16.93500734     11.43521919    -15.78499552
  H     17.36874559     11.58167339    -10.79209812
  H     22.56498803     15.33011576    -12.45346004
  O     19.71102381     10.52511238     -8.93909971
  H     18.42709971     11.17712465    -16.83812708
  H     22.74909273     14.53749940    -13.75191902
  O     21.22061160     16.58454625    -11.81526716
  H     19.81622922     10.49106998    -16.82486307
  H     19.99430297     15.68659432    -12.87226095
  O     22.10137109     12.21498379    -11.78978211
  H     21.09442165     14.18247793    -16.07527244
  H     18.93038820     14.55130563    -12.88132353
  O     16.89309039      8.82823622    -12.38169636
  H     20.79091002     14.51775241    -14.59198677
  H     20.02517947      8.79543333    -14.11006360
  O     20.01093015     13.81758905    -17.53371961
  H     20.70332630     14.62643912     -9.49626376
  H     19.24142610      9.84518982    -13.31944856
  O     23.05743270     14.59541206    -12.83840329
  H     21.56218353     15.43999213     -8.51068428
  H     18.28739248     11.58343713    -14.53097785
  O     19.46321188     15.12073591    -13.44800887
  H     21.85213960     11.69933441    -13.50526697
  H     19.80735113     11.67941842    -14.14499987
  O     19.59432154      8.94362334    -13.26143732
  H     21.69699441     12.48981565    -14.82676340
  H     15.06137280     14.42051397    -16.26167888
  O     18.91273905     11.58829850    -13.79470536
  H     15.48973458     13.45950039    -13.90290698
  H     16.53974713     14.48283655    -15.80749924
  O     15.71398527     13.97123736    -15.73194995
  H     15.33417887     12.10204527    -13.20615130
  H     18.36012846     12.58482608    -12.50848786
  O     17.96072216     13.21069849    -11.87986903
  H     16.33903700     10.91266460    -15.23110464
  H     17.03751461     13.30267704    -12.15879370
          69
 Energy    -248.07756901534236     
  O     -7.08356768     -2.73945436      5.84258062
  H     -6.28177977     -2.23325600      5.66759321
  H     -7.25983959     -1.51745822     -0.20761255
  O     -9.95568807     -2.57954691      2.27214682
  H     -7.72807776     -2.11949339      6.20629135
  H     -4.41376828      0.88214877      2.18240577
  O     -7.91490400     -4.08099384      3.62448283
  H     -9.35956001     -3.18335555      2.72992625
  H     -3.20167955      1.57199026      2.86621370
  O     -5.23262709      0.83202057      0.52307725
  H    -10.23816010     -1.94057207      2.93921165
  H     -7.38170695     -0.53375107      2.82066557
  O     -6.91860327      0.81529743      5.56639591
  H     -7.66432253     -3.67115888      4.47151734
  H     -7.84041524      0.86104633      2.29975924
  O     -5.16138404      5.43414011      1.10373425
  H     -7.83331001     -5.02370342      3.74109669
  H     -1.08844292      3.11988331      2.61114149
  O    -10.21031645      1.30707582      0.05406359
  H     -5.44145490     -0.03724319      0.16368607
  H     -2.50611420      3.68608057      2.87084261
  O     -8.90270050     -0.69388571      6.71626714
  H     -6.08300151      1.29296073      0.59923866
  H    -10.09601324      4.66644478      4.06123585
  O     -4.98552673     -1.02236949      4.71163620
  H     -7.33446194      0.76641387      4.68939888
  H     -8.96070969      4.11580958      3.18916324
  O     -3.80670682      3.24954383      0.21787099
  H     -6.16495631      0.21283293      5.49367075
  H    -11.03446657      0.92880904      3.17934878
  O    -10.26449224     -0.49363825      4.16633854
  H     -5.07047242      6.14985982      0.48059379
  H    -10.74677871      2.43446374      2.93691272
  O     -6.29713360     -1.67503073     -0.25457164
  H     -4.71013582      4.66367095      0.71365489
  H     -6.87419784     -2.81645508      2.75355895
  O     -3.98959320      1.04135371      3.03786793
  H    -10.86931823      1.56736708     -0.58312054
  H     -6.24713991     -2.03244659      1.55469101
  O     -7.86407354      0.26864032      3.05932670
  H    -10.61611361      1.40654076      0.93518151
  H     -9.32738641     -1.76895680      0.78084153
  O     -2.01314884      2.96434250      2.44076887
  H     -9.15736991     -0.44503185      7.60138236
  H     -9.40468334     -0.44212351     -0.01301653
  O     -9.83925043      3.90879784      3.54048556
  H     -8.23177087     -0.05183378      6.42748858
  H     -4.14856944      5.21863627      2.74960354
  O    -11.15271024      1.64742378      2.54638803
  H     -4.44686710     -0.33841739      4.29241261
  H     -4.32478027      4.31238980      3.97995418
  O     -6.34360667     -2.04534496      2.51460911
  H     -5.40841992     -1.46714984      3.96046356
  H     -6.08135232      2.41591584      4.96869489
  O     -8.92909302     -1.27689775      0.04712153
  H     -3.07801937      3.12976463      0.83928462
  H     -5.04959066      2.29793037      3.83843784
  O     -3.67431482      4.84580950      3.50321313
  H     -4.25593702      2.39541112      0.17060946
  H     -7.63059026      2.85996668      1.37233392
  O     -5.59187150      2.93814251      4.32327719
  H     -9.44970101     -0.21395999      3.71647680
  H     -8.54079729      1.90362917      0.51071955
  O     -7.66005391      2.02457336      0.88816626
  H    -10.01633691     -0.62434037      5.08686444
  H     -6.72401411      3.78484519      3.19271508
  O     -7.25843713      4.23590188      2.52177276
  H     -6.14700111     -2.24315332     -1.00457451
  H     -6.64390492      4.76654860      1.99947481
          69
 Energy    -248.07754027301462     
  O     13.17187357     10.97590513    -10.68909383
  H     13.33978415     11.89727504    -10.93563510
  H     16.86332452     14.96470798    -17.99366976
  O     11.55112694     11.88519497    -14.53331711
  H     13.09204742     10.48438187    -11.52018969
  H     14.17258208     13.11574536    -12.47032301
  O     12.80049979      9.77163395    -13.16440858
  H     11.60722599     12.67797396    -13.98273204
  H     14.59189146     13.80659715    -11.14155598
  O     18.92432629     12.38358478    -13.67946779
  H     10.63735714     11.57705401    -14.46762389
  H     12.35831253     16.64901826    -14.91630857
  O     10.52033697     10.85553022     -9.97239379
  H     13.58967885      9.38270244    -13.55648854
  H     12.29781600     15.32054546    -14.13149187
  O     10.18798444      9.17164005    -12.27131034
  H     12.49790276     10.49430432    -13.73394806
  H     15.16013305     13.41396195    -14.27498794
  O     16.24335088     13.94120966    -10.29456179
  H     19.85435598     12.49569634    -13.50424904
  H     14.80147820     11.98900098    -14.77709200
  O      8.96078525     10.95884592    -13.90807475
  H     18.47633847     13.18694680    -13.35673354
  H     17.43792684     12.91158599    -16.56824431
  O     15.54636944     15.12244912    -14.70971039
  H     10.38778826     10.71252533     -9.03870912
  H     18.16433097     12.18121068    -15.41187574
  O     14.51528232     12.86002694    -17.92618053
  H     11.48065666     10.89965933    -10.11521863
  H     12.37814831     14.43685246    -16.13333936
  O     11.56018500     14.25467084    -12.93195593
  H     10.20506072      9.61878231    -11.41573815
  H     11.95337030     12.96004518    -16.05153543
  O     16.52908406     14.48757971    -17.23951358
  H     11.09939055      9.19263653    -12.59482785
  H     15.90126582      9.40610426    -13.63635548
  O     13.83083838     13.49154589    -11.64244109
  H     16.47270669     14.31151892     -9.44636950
  H     15.68371107      7.93158801    -14.05249281
  O     12.79322211     15.80574404    -14.81383210
  H     16.22994332     12.97309180    -10.18641667
  H     15.23072666      9.97466909    -15.65510454
  O     14.87419074     12.53660084    -13.98507906
  H      9.30963913     10.23575745    -13.35642881
  H     16.13889361     11.12079162    -16.19311746
  O     17.66427676     12.03884296    -16.22400667
  H      8.20807640     10.61243238    -14.37879204
  H     16.09845442     11.44722822    -13.21836617
  O     12.20463473     13.65663735    -16.67163322
  H     14.64017642     15.45099827    -14.76973208
  H     17.61055664     11.18108891    -13.10668470
  O     15.30205352      8.80394472    -14.10908391
  H     15.88787896     15.01475476    -15.60898251
  H      9.16275922     12.28204799    -12.51386621
  O     15.22180676     10.79864544    -16.15124788
  H     14.67980034     12.02284007    -17.47366797
  H      9.78987069     12.23488954    -11.11121076
  O     16.74840827     10.80818586    -12.88597708
  H     13.65508629     13.16598892    -17.60229826
  H     16.86412439     14.87040516    -13.39190511
  O      9.50239399     12.84166796    -11.80424281
  H     12.31851349     14.07663276    -12.35595057
  H     17.10234837     14.40131055    -11.92931903
  O     17.52952608     14.51795492    -12.78637252
  H     10.77466563     13.89231790    -12.49697878
  H     15.06271748     10.98533608    -10.20999151
  O     15.99621690     11.23020721    -10.20858701
  H     15.79317912     13.93191322    -17.56037442
  H     16.33779065     10.96613483    -11.07407982
          69
 Energy    -248.07752898913918     
  O    -10.37392561      1.36499648      3.65580109
  H    -10.56447282      2.14691561      3.11901148
  H    -10.41581529      1.36525344      5.39652977
  O     -6.24475572      2.29939253      6.33365685
  H    -10.34432264      0.61038590      3.05482025
  H    -11.21384470      6.17706207      5.36956546
  O     -8.03963063      4.70467231      4.84029628
  H     -5.42372067      2.69462957      6.01857136
  H    -11.88275786      7.44816407      4.80336969
  O    -12.62024188      2.93366814      6.41881138
  H     -6.76145917      2.12334806      5.53026796
  H    -12.83967398      3.69654250      4.62313879
  O     -7.69553925      2.12653012      3.98403182
  H     -8.32654340      4.52495790      5.74150403
  H    -12.49798742      5.06774998      4.01685232
  O     -8.68676114      3.46556724      7.25825609
  H     -7.90884951      3.82627602      4.45072862
  H     -9.27792940     -1.03216388      2.48466649
  O    -10.93487596      5.18888954      6.81680698
  H    -13.33537990      2.56229890      6.92976918
  H    -10.36233323     -1.42508117      1.45136011
  O     -7.04648934      5.51967804      1.33641654
  H    -11.88388997      2.30239087      6.47180972
  H     -7.33996570     -1.29132969      3.81773145
  O     -4.65743532      1.36626788      2.89587329
  H     -8.57346575      1.75076113      3.85300622
  H     -8.57794120     -1.36098673      4.73892711
  O    -10.84702131      3.53296564      2.01371233
  H     -7.29079996      2.23896071      3.11382672
  H     -8.90369686      5.46530515      3.54529831
  O     -5.49384052     -0.99229557      3.95954354
  H     -9.26390932      2.73376250      6.99723164
  H    -10.14866661      6.27989404      3.20283321
  O    -10.36924348      1.34271917      6.36640142
  H     -7.78502335      3.12994466      7.16681221
  H     -6.73586661      3.63318510      1.35170365
  O    -11.48367909      6.62096115      4.54592638
  H    -10.14089810      4.75621006      7.15153684
  H     -7.48488801      2.31697887      1.01491049
  O    -12.83231315      4.18929891      3.79442094
  H    -11.59968562      4.48937340      6.76430884
  H     -7.97297009     -0.84855978      6.72104805
  O     -9.89399780     -0.67952487      1.81638982
  H     -7.00456060      6.04702633      0.54202967
  H     -9.08469369     -1.81382338      7.19040933
  O     -8.29044976     -1.46249264      3.82496646
  H     -7.90070352      5.71764189      1.75353442
  H     -5.92179838     -0.70335808      5.78382861
  O     -9.39336261      5.84134326      2.79463119
  H     -5.23473457      1.80355972      2.25602454
  H     -6.18913368      0.49825763      6.70549646
  O     -6.69215766      2.67484757      1.44523086
  H     -4.39891992      2.04005998      3.53643198
  H     -4.53438877      4.15226358      4.45441157
  O     -8.92239073     -1.05274345      6.63883260
  H    -10.28958334      4.30510224      2.17141700
  H     -3.19777581      3.69840546      5.08400906
  O     -6.29086503     -0.46151774      6.64286628
  H    -11.66876174      3.70587640      2.49887615
  H     -9.78372749      2.38309590      0.88149917
  O     -4.07029636      3.39303678      4.84968939
  H     -5.20723946     -0.14711879      3.57234700
  H     -9.35797638      0.90020736      0.84709598
  O     -9.11328174      1.77987350      0.53514513
  H     -4.86399741     -1.64739867      3.66945713
  H     -5.85227431      5.54597089      2.90348083
  O     -5.55284986      5.41290345      3.80910537
  H     -9.92921063      0.51300616      6.58722371
  H     -6.36651629      5.30104198      4.32141796
          69
 Energy    -248.07725160956232     
  O     18.12882772      7.88700397    -11.61091750
  H     19.02140920      8.08028753    -11.33599780
  H     12.64222419      8.85030388    -15.24602914
  O     11.90235336     10.04839389    -12.10900392
  H     17.68166709      7.48853969    -10.84170920
  H     13.84301398      5.40855053    -13.18147397
  O     11.70784952      4.37648697    -11.26816840
  H     11.93788983      9.61839028    -12.97574783
  H     14.48675998      4.01247064    -12.97122038
  O     12.56259854      4.98841401    -15.73431987
  H     11.31542273      9.51003152    -11.56682187
  H     13.48498482      7.64587175    -13.65227361
  O     10.30385538      8.27045776    -10.49349272
  H     12.37555841      4.32342980    -11.97000198
  H     14.94623721      7.15473720    -13.88173352
  O     14.36706541     10.66062074    -11.20539301
  H     12.07049280      3.91984057    -10.50174488
  H     17.05231781      9.21264449    -12.43546745
  O     16.15770976      3.46867929    -12.44306434
  H     12.91204025      4.65711129    -14.89698462
  H     15.81999822     10.15641187    -12.33124422
  O     14.33563258      6.33645686    -17.25575732
  H     11.74568491      5.45720429    -15.52315232
  H     14.41205971      7.62809273    -11.54533346
  O     13.09465417      4.02115497     -8.77071587
  H     10.98286392      7.72997620    -10.05729685
  H     14.42064246      8.90021044    -10.66421922
  O     10.29489631      6.54638680    -15.02014426
  H      9.68235365      8.52866683     -9.81672436
  H     10.36448549      5.44039762    -11.99753637
  O     13.75477331      9.07569378    -16.60664181
  H     13.47043707     10.51197547    -11.55837762
  H      9.89934479      6.90373792    -11.79204800
  O     12.15257364      8.58841839    -14.45160144
  H     14.34557549     11.49169288    -10.73930084
  H     12.08310047      5.91791614    -10.30250774
  O     13.65713751      4.45663512    -13.18659174
  H     16.68923215      4.23702747    -12.72242174
  H     13.07249793      7.06264289     -9.91098349
  O     14.21198787      7.14640692    -13.25548113
  H     16.65426139      2.69110991    -12.68363072
  H     14.94453984      4.00651820     -9.39900313
  O     16.53289313      9.87089486    -12.91402634
  H     13.68337159      5.82971290    -16.73908650
  H     15.91827853      3.85296774    -10.59167437
  O     14.41700848      7.93640384    -10.62619132
  H     14.40654389      5.90748300    -18.10393145
  H     16.96991024     10.38781213    -15.96459448
  O      9.84313924      6.15199636    -12.39300749
  H     12.88077841      4.96646037     -8.81759470
  H     16.40003113      9.87333806    -14.62165309
  O     12.29078539      6.56947618     -9.61599429
  H     12.89513552      3.74273932     -7.87964457
  H     16.52942042      5.83727822     -9.55293991
  O     15.85724234      4.14480608     -9.67374848
  H     10.08263266      6.37860648    -14.08429786
  H     15.90143380      7.21154091     -9.84907474
  O     16.34386183      9.77444520    -15.59006167
  H      9.46509133      6.58868812    -15.48778084
  H     17.15424750      6.04754939    -14.05764681
  O     16.73246949      6.78170498     -9.60381649
  H     13.92615798      8.18734477    -16.94438766
  H     17.79206674      6.36414369    -12.69283812
  O     17.53013153      5.63554557    -13.26747988
  H     14.60687750      9.41741893    -16.30736764
  H     16.36991545      7.93482116    -15.44370731
  O     16.19845603      6.99861714    -15.27753523
  H     11.47759336      7.95129409    -14.71337799
  H     15.63067000      6.68663702    -15.99407353
          69
 Energy    -248.07722617034443     
  O     -6.20349961     -2.90111873     -8.24837972
  H     -5.62668370     -3.62723300     -7.98449111
  H     -2.96067364     -0.15950945     -5.21136495
  O     -7.38264985     -3.79093619     -0.73850473
  H     -5.98877459     -2.17591819     -7.64456798
  H     -8.52632093     -2.47751096     -4.36667226
  O    -10.68479883     -4.90305419     -1.99155387
  H     -7.64442672     -4.72045690     -0.73499884
  H     -9.63146028     -1.55695493     -4.95671529
  O     -8.89730429     -2.73558880     -8.40152064
  H     -8.17109901     -3.29421629     -0.99859521
  H     -3.38325855     -2.73047518     -4.82244063
  O    -10.72868322     -5.61589447     -4.62774217
  H    -10.00942821     -5.44739548     -1.56883530
  H     -4.09931371     -3.80854918     -4.00300305
  O     -8.27413175     -6.85721666     -3.71418066
  H    -10.49930191     -3.99608575     -1.71594041
  H     -4.14284306     -4.45466405     -6.28763544
  O     -7.73698266      0.23932143     -3.10669948
  H     -9.13906227     -2.86732502     -9.31539217
  H     -3.75755560     -5.35957686     -7.47902000
  O     -5.15343427     -0.69039542     -2.44781461
  H     -7.92675254     -2.81247520     -8.36317933
  H     -7.75803100      0.85714958     -4.90679391
  O     -6.81363385     -5.87828964     -5.86621014
  H    -11.51744974     -6.14401337     -4.73270159
  H     -8.54281710      0.39390243     -6.15834918
  O     -9.95589350     -0.86022832     -6.65688016
  H    -10.75647059     -5.27335086     -3.71782126
  H     -9.52157841     -1.48189457     -1.04137839
  O     -5.86200049     -1.16006136     -6.12289034
  H     -7.62296412     -6.63180251     -4.39154484
  H     -9.63470357     -2.18136300     -2.42121965
  O     -3.53553058     -0.78733021     -4.78156754
  H     -9.11947905     -6.55152830     -4.06386607
  H     -6.00193512     -3.70692592     -1.92790073
  O     -9.25504762     -1.88153212     -4.13151515
  H     -8.09125264      0.38956902     -2.22190435
  H     -5.21267596     -2.50782403     -2.50391945
  O     -3.58878311     -3.67252479     -4.81190015
  H     -8.24319388     -0.50104279     -3.47202498
  H     -9.22562393     -4.37536561     -7.41319223
  O     -4.48543139     -4.87753839     -7.09520680
  H     -5.99228617     -0.31815527     -2.75600132
  H     -9.78318085     -5.23947215     -6.24352803
  O     -7.73100501      0.83039069     -5.87321434
  H     -4.51403813     -0.58873655     -3.16309809
  H     -8.25769890     -6.59198960     -2.00867622
  O     -9.69221454     -2.33084860     -1.46445458
  H     -7.59472334     -5.75176416     -6.42932469
  H     -8.32918470     -7.20253193     -0.58849996
  O     -5.35862060     -3.45977050     -2.60557865
  H     -6.02311016     -5.67036115     -6.37625517
  H     -6.61323808     -2.16885382     -0.03681262
  O     -9.20156801     -5.25182975     -7.01513228
  H    -10.79831384     -0.58123224     -7.00790683
  H     -5.80563167     -1.00806944     -0.66130797
  O     -8.38197532     -6.37898375     -1.06535802
  H     -9.58718344     -1.49934529     -7.28788334
  H     -6.47637204     -3.37483148     -3.99101310
  O     -6.39902081     -1.23234322      0.06736665
  H     -6.27720723     -1.90820243     -5.66848497
  H     -7.04228783     -4.18168823     -5.18311386
  O     -7.04707181     -3.31053907     -4.76951974
  H     -6.47713302     -0.41322307     -6.09835188
  H     -8.93019200      0.73308078      0.26178665
  O     -8.68728181      0.13092609     -0.43580334
  H     -4.33310826     -0.86589593     -5.33558943
  H     -7.86405530     -0.30941953     -0.15536577
          69
 Energy    -248.07716802804504     
  O      1.58173937     -0.55399792      5.01653712
  H      0.82120597     -1.12649470      5.21871089
  H     -2.24754647      3.25064947      0.22985601
  O      1.45954186     -0.99192801     -2.79715597
  H      2.21911501     -0.68533309      5.71462521
  H     -2.10176239      0.01663001      4.11006198
  O     -0.63051152     -2.11078041      5.29156008
  H      1.31081601     -1.92072561     -2.57908151
  H     -2.47305292      0.81413012      5.36970677
  O     -0.53796582      0.16661718     -1.08186560
  H      0.71776221     -0.51036430     -2.40976299
  H      0.84154831      1.84356663      1.49391595
  O      1.12461993     -3.60877387     -1.64570339
  H     -1.34371297     -1.45984333      5.37415958
  H      0.40400239      2.36043893      2.91050443
  O      2.98698006     -2.75154378      0.13308602
  H     -0.74581505     -2.50570857      4.42138738
  H     -3.03531691      2.00399732     -1.88072556
  O     -3.54663123      2.80651953      3.06333018
  H      0.19989126      0.37447338     -0.49244800
  H     -1.93977070      1.27408192     -1.07216619
  O     -3.60359270     -3.48493111      2.67167578
  H     -0.81525410     -0.73489320     -0.86416917
  H     -0.96017284      0.87973467      2.24999689
  O      0.55081420      2.14000181      4.65555201
  H      1.34980629     -4.46548045     -1.99811525
  H     -2.35495178      0.26218001      1.92491630
  O      3.62800184     -0.34164223     -1.28057738
  H      1.80950713     -3.38197365     -0.99098518
  H     -0.41659728     -2.96476570     -0.88291733
  O     -4.61656729     -1.11960138      3.51883240
  H      3.37500012     -1.97487238     -0.28985808
  H     -0.99671093     -2.60303253      0.51312621
  O     -2.00107429      3.76297691      1.00806333
  H      2.65734498     -2.45435282      0.99076021
  H      1.78016844     -1.23444256      3.26924165
  O     -2.48640108     -0.07518120      4.99602719
  H     -3.98803292      2.09517023      2.59608090
  H      0.82732382     -2.07955429      2.39250252
  O      0.15185079      2.31731634      1.97529731
  H     -3.03690388      3.27449188      2.38241112
  H     -2.69126227      2.74959545      4.59013993
  O     -2.73415555      1.82828087     -0.99253573
  H     -4.02351708     -2.68736759      3.04229761
  H     -2.47155731      3.35716747      5.99438358
  O     -1.51954225      0.10444431      2.38392840
  H     -4.06295611     -4.23565137      3.03785628
  H      2.45297258      0.36601655     -0.01179375
  O     -1.12283844     -2.48025811     -0.43635537
  H      0.83596511      1.24360526      4.86730724
  H      1.69990744     -0.20695844      1.21799389
  O      1.67967738     -1.62513924      2.39163433
  H     -0.33046530      2.26760729      5.02779806
  H     -1.15955373     -1.59822746      2.39100707
  O     -2.20066817      2.64176296      5.42557924
  H      4.35703785      0.02600938     -1.77215216
  H     -1.84513639     -2.99526654      2.50137696
  O      1.71118310      0.52360017      0.58393613
  H      2.92018083     -0.53433652     -1.92148468
  H     -3.90939392     -2.70806578      0.90577863
  O     -0.98876427     -2.55710455      2.39948390
  H     -4.01285697     -0.73945791      4.17272021
  H     -2.99214268     -2.27209219     -0.24441744
  O     -3.85614173     -2.10541765      0.15455654
  H     -4.62696668     -0.50764531      2.77470965
  H     -4.04408050     -0.43575996      0.73834602
  O     -3.99752660      0.45436923      1.12585387
  H     -1.16882751      3.37543414      1.31910321
  H     -3.70095422      1.03301537      0.41111401
          69
 Energy    -248.07710535409171     
  O     11.54271324      9.84581033    -15.08919712
  H     11.66218185      9.25122630    -15.83871712
  H     15.54712823      3.91343041    -14.90229637
  O     15.96153423      6.36131102    -12.84089176
  H     12.12129547     10.60316423    -15.24010788
  H     16.37695899     11.23051024    -16.48099134
  O     16.80510780     10.61064185    -11.69919222
  H     16.73763514      6.89387346    -12.62223960
  H     15.28809488     10.34498594    -17.12584477
  O     18.11557573     11.05914711    -15.79570388
  H     15.30475783      6.50996547    -12.14566140
  H     13.84107104      7.66900975    -14.58071373
  O     12.80012293      6.16115083    -15.14825834
  H     16.05229001     10.71625404    -12.30013986
  H     15.23302344      7.68918031    -13.92722754
  O     15.38645988     10.00972089     -9.41281609
  H     16.43178853     10.48042660    -10.81636324
  H     11.06252429      9.31343838    -13.49920555
  O     14.10581384      6.99506991    -10.88766365
  H     18.85778806     11.31963066    -16.33708371
  H      9.89467746      9.23004692    -12.49004953
  O     14.55085601     10.70442050    -13.26501446
  H     18.25543934     11.46258798    -14.92238526
  H     18.31771074      7.40587079    -10.69802577
  O     16.83298417      6.66011932    -16.66775625
  H     13.58865251      5.60447792    -15.16771160
  H     19.24311032      6.74008213     -9.66727101
  O     15.86149877      7.24959077     -8.70076617
  H     12.41818939      6.11267553    -14.25763085
  H     12.61942838      6.41966986    -11.93266049
  O     18.30337095      8.30666458    -14.94889139
  H     15.56198324      9.12631256     -9.06809603
  H     11.45257471      7.21212968    -12.55801301
  O     15.29216754      4.82792797    -14.99584481
  H     14.51412211      9.96276266     -9.82585419
  H     18.90667085     12.79974837    -12.79891245
  O     15.48222707     11.24885033    -16.84203310
  H     14.63572862      6.97081799    -10.08137621
  H     17.94605833     11.61075690    -12.64697836
  O     14.60243493      8.23695189    -14.41046717
  H     13.80094986      7.90899141    -10.98665266
  H     17.60675429      9.00489837    -12.05413497
  O     10.81135120      8.99761194    -12.61278547
  H     14.56666512      9.83943779    -13.70526995
  H     18.22825989      8.17866405    -13.21941481
  O     18.34075871      7.01292831     -9.80984948
  H     14.15818019     11.31985199    -13.89306815
  H     14.86286350      8.51521709    -16.19893182
  O     11.91652445      6.36553900    -12.59235978
  H     16.33047453      5.97937102    -16.20659336
  H     13.87758199      8.36573684    -17.37012763
  O     18.48210682     12.10159591    -13.29046267
  H     16.17643248      7.25544501    -17.05229503
  H     13.62084924     10.07749582    -11.84526542
  O     17.99798220      8.14950151    -12.27696581
  H     15.86747325      6.90108353     -7.81308864
  H     12.26037847      9.45113465    -11.49998997
  O     14.79795422      8.56715671    -17.16604288
  H     16.76030348      7.13322048     -9.05462928
  H     13.12503004     12.94840499    -15.62135499
  O     13.14168692      9.61388040    -11.14277772
  H     17.87094728      7.71108839    -15.57628345
  H     14.11419053     11.80920160    -15.96645536
  O     13.35112773     12.04750938    -15.40809520
  H     18.22394063      9.19760903    -15.30631519
  H     11.41928588      7.49103256    -17.73528598
  O     12.03485832      7.86997734    -17.11338756
  H     15.59067626      5.28510527    -14.18995415
  H     12.23742697      7.17638448    -16.45997969
          69
 Ord_Energy   -248.077072    
 O   -9.68167400     -0.558311760       3.77930355    
 H   -10.5088549     -0.217836872       3.44733143    
 H   -9.17127514     -0.852206111       3.00720453    
 O   -6.80835676      -1.30833149       6.59221983    
 H   -6.94798613     -0.449228287       6.16842270    
 H   -7.48798180      -1.89169109       6.22292852    
 O   -7.48102331      -4.91808558       6.82061386    
 H   -8.10068989      -4.28994036       6.43214512    
 H   -6.95968151      -4.41244030       7.45598984    
 O   -7.37002611      0.782969296       4.87484932    
 H   -8.23196983      0.477530003       4.56578302    
 H   -6.78221846      0.693314433       4.11423588    
 O   -2.21741199      -2.58186817       5.51106501    
 H   -2.67433405      -3.31268930       5.96591282    
 H   -1.47183061      -2.34595227       6.05646229    
 O   -7.95433140      -1.54503429       1.81915867    
 H   -7.15895796      -1.06689632       2.10161567    
 H   -7.94889069      -2.42119884       2.23709941    
 O   -8.47856903      -6.45705986       1.90562832    
 H   -8.01335716      -6.16509438       1.09949303    
 H   -9.23054600      -6.97061253       1.62461925    
 O   -4.55221939      -6.78340244      0.685347855    
 H   -5.00085974      -7.07454491       1.49988723    
 H   -4.18960476      -7.56552744      0.277908027    
 O   -3.69656897      -4.43211412       6.80760098    
 H   -4.18305826      -5.10795498       6.31854105    
 H   -4.33643436      -4.02419424       7.40361118    
 O   -5.21600056      -3.95695472       3.36617398    
 H   -4.99492836      -3.14600945       3.84200048    
 H   -4.57269573      -4.07675695       2.65659857    
 O   -7.11197090      -2.67079139     -0.577421844    
 H   -7.46481609      -2.22825122      0.210092038    
 H   -7.63155031      -2.36579108      -1.31819487    
 O   -3.37726521      -4.33701038       1.33247912    
 H   -3.66428018      -3.73694468      0.625221014    
 H   -3.64674926      -5.22833872       1.08099651    
 O   -5.96851444      -7.48020554       2.88853645    
 H   -5.78064251      -7.12566805       3.76786256    
 H   -6.88041878      -7.24012470       2.68634057    
 O   -7.00298977      -5.53832483     -0.159165978    
 H   -6.10471487      -5.85877609      -9.61175002E-03
 H   -6.95274973      -4.58950186     -0.319976240    
 O   -4.72529840      -1.63093030       4.78061533    
 H   -5.35522079      -1.56654727       5.50948381    
 H   -3.84683228      -1.81555605       5.13440228    
 O   -5.71929216     -0.170275137       2.70429087    
 H   -4.97958612      -5.82100898E-02   2.09584045    
 H   -5.35296297     -0.669228971       3.45154166    
 O   -7.90100050      -3.99297261       3.05673194    
 H   -6.93475389      -4.03631067       3.13378954    
 H   -8.20395565      -4.84284258       2.71734691    
 O   -4.27427530      -2.46651769     -0.441944808    
 H   -4.02786112      -1.64569485       2.47270009E-03
 H   -5.23460913      -2.46099472     -0.531757534    
 O   -5.76467943      -3.15208602       8.33898449    
 H   -5.84343576      -2.91016412       9.25860786    
 H   -6.11256981      -2.40544629       7.82352114    
 O   -2.08110452      -2.22739339       2.63609266    
 H   -2.36456442      -3.05400872       2.22023582    
 H   -2.04528546      -2.39553285       3.58369756    
 O   -8.80770588      -2.80768013       5.35928249    
 H   -8.50257874      -3.31008601       4.58762121    
 H   -9.28745747      -2.05581021       4.99382639    
 O   -5.46660042      -5.99873590       5.22582960    
 H   -5.33568096      -5.29512119       4.57189751    
 H   -6.23028803      -5.73948479       5.76248074    
 O   -3.35651469     -0.299092084       1.18916416    
 H   -2.86905122     -0.938575983       1.73998439    
 H   -2.71698642      0.338988632      0.883760214    
          69
 Energy    -248.07701578095708     
  O     -4.38321250      0.10967761      0.84341798
  H     -4.95981514      0.74563051      0.42901540
  H      4.21692066     -1.07912310      2.70136027
  O      1.25618575      0.62878644      1.95046721
  H     -3.56867305      0.07881071      0.30956796
  H     -0.45826351     -1.75780261      2.50849982
  O     -3.51744022     -0.57395401      3.43074183
  H      2.00813401      0.11628868      2.27030184
  H      0.57444270     -2.67482110      1.76905788
  O      2.15641413     -2.70367717      4.93205101
  H      0.53306163      0.45045090      2.56770184
  H     -1.24944605     -3.91817593      2.74482694
  O     -2.76574802     -5.02919512      7.34702485
  H     -3.86418421     -0.21169505      2.60641325
  H     -1.71245451     -5.29038487      2.22807628
  O     -0.48578351     -2.04971649      5.78389845
  H     -3.72158765     -1.52024683      3.41362415
  H      1.90701972     -2.77508072      0.15713061
  O      1.84709557     -5.35673521      4.54242923
  H      1.35497530     -2.30227873      5.28996961
  H      2.15302614     -3.92529162      1.19741772
  O     -4.73135514     -3.55694960      6.16185767
  H      2.52411645     -2.09211812      4.28344023
  H     -3.36393717     -3.85642931      3.28704092
  O     -2.14075393     -0.26858264     -0.61358110
  H     -2.39748582     -5.06249052      8.22664483
  H     -4.45185397     -3.45033767      4.31621404
  O      1.58027323     -5.53645391      1.67438212
  H     -2.00887776     -5.05352129      6.73930754
  H      0.79121714     -1.33291503     -1.12994037
  O     -1.10600707     -5.79527570      0.49003101
  H     -1.34819802     -1.71369776      6.07219187
  H     -0.01315714     -2.64921424     -1.17368238
  O      3.27379813     -1.19041758      2.79113721
  H     -0.58271808     -3.00784012      5.71712344
  H     -1.72235563     -0.30689123      3.49139679
  O     -0.35190340     -2.58404008      2.02126099
  H      2.02603349     -4.40555903      4.66198774
  H     -0.58744279     -0.86694130      4.38833477
  O     -1.79237757     -4.68975373      2.97680933
  H      2.59512101     -5.82368206      4.90613815
  H      0.96291924      1.21697708     -1.11243329
  O      2.26841792     -2.97758531      1.03226295
  H     -4.07721480     -4.12251213      6.60705984
  H      0.82680265      0.55891575      0.28094516
  O     -4.15663553     -3.31440295      3.40776333
  H     -5.56297642     -3.69402362      6.60845512
  H     -1.26968200     -2.86617412      0.52630585
  O      0.87816557     -2.29046626     -1.23650154
  H     -2.03451123     -1.22435859     -0.66669818
  H     -2.70149845     -3.10984602     -0.03584666
  O     -0.76081472     -0.35483922      3.58615610
  H     -1.24754676      0.09660238     -0.63291789
  H     -3.30639843     -0.77212799      5.35238114
  O      0.56796875      0.47976361     -0.65465931
  H      0.69267019     -5.72052187      1.34863222
  H     -3.69057381     -1.92593654      6.28916300
  O     -1.75868615     -3.14993317     -0.26423329
  H      1.55189732     -5.57116430      2.63884379
  H     -1.19750913     -4.90250468      4.63388421
  O     -3.08034498     -1.18501714      6.19575607
  H     -1.33183240     -4.93800423      0.09632808
  H      0.16227191     -5.16573055      5.30331244
  O     -0.74414324     -4.89294538      5.49016787
  H     -1.33819845     -6.45965908     -0.15451729
  H     -4.41755392     -3.05434318      1.55747521
  O     -4.31974462     -2.77686455      0.63700925
  H      3.00188891     -1.84523071      2.12252434
  H     -4.50041262     -1.82910587      0.63640989
          69
 Energy    -248.07688454171620     
  O      1.87772725     -0.37675106      6.25982549
  H      1.54146480      0.45360079      5.90032638
  H      2.09397630      2.27914433      0.35724395
  O     -1.58793473      1.49369745      6.74042609
  H      2.61014870     -0.67395992      5.70256433
  H     -0.03675459     -0.10885500      2.56915927
  O     -2.91021220     -3.20274490      7.21607676
  H     -1.54933114      0.66352910      7.24786910
  H      0.47498257      1.26968624      2.10295531
  O      4.04776956     -3.37256408      6.83295935
  H     -2.05818381      2.12107836      7.28353152
  H      3.58663273     -1.05122257      1.65006310
  O      3.97330395     -1.50834589      4.79605859
  H     -3.79543719     -3.52017011      7.37473225
  H      4.42314611      0.14593748      2.14330984
  O      2.62006813     -1.63212506      8.60173397
  H     -2.88273698     -2.90071168      6.29224299
  H     -1.85255793      0.70860513      3.60317806
  O     -1.56259063     -0.83350760      8.13660584
  H      4.87336047     -3.85080871      6.83283853
  H     -2.30598471      0.90475073      5.06614224
  O      0.28566630     -2.22991976      9.79143894
  H      4.10152235     -2.72569891      6.10931804
  H      2.70011509      2.47239464      2.88874509
  O     -0.37447623     -4.35600742      8.00569284
  H      4.48266713     -0.73353905      4.52563177
  H      2.29176490      2.45570252      4.37282734
  O      2.88972400     -2.59034152      2.47933214
  H      3.59477476     -1.89872231      3.99497850
  H      0.68202209     -1.60471547      5.63859737
  O      5.13714311      0.82189185      3.82136390
  H      3.19935417     -2.28234066      8.18975429
  H      0.64944411     -3.14445640      5.46276146
  O      2.01272839      1.85381957      1.20662254
  H      2.32971357     -1.06179052      7.87390644
  H      2.15330320     -5.93293366      3.18502012
  O     -0.16093404      0.84379137      2.69070964
  H     -0.90838655     -1.20403822      8.74109250
  H      2.15382114     -5.03133146      4.42697104
  O      3.84501313     -0.14690105      1.42864505
  H     -2.09459535     -1.58451847      7.84900259
  H     -2.63451771     -1.25321025      4.54389819
  O     -2.55709655      0.49560010      4.22840373
  H      1.16236163     -2.01522069      9.42505874
  H     -1.53315740     -2.27205709      4.93530205
  O      3.05246015      2.54812596      3.78466823
  H      0.37343533     -2.21614448     10.74043183
  H     -2.45126135     -2.85123687      2.99986558
  O      0.23163247     -2.32304052      5.17625698
  H     -1.25112192     -4.08735488      7.70660022
  H     -3.02793536     -2.89394386      1.57680237
  O      2.52382671     -5.12614716      3.53560524
  H     -0.12910896     -3.71005099      8.68038641
  H      0.92509185     -4.62427643      6.81481763
  O     -2.47801061     -2.19184093      4.72877210
  H      2.86210952     -3.51909641      2.74871499
  H      2.40070298     -4.22347296      6.47078199
  O     -2.23794781     -3.07624434      2.08038879
  H      1.96756810     -2.32760682      2.34164869
  H      0.37388838      1.49875422      4.29639379
  O      1.58200489     -4.57958818      6.10259533
  H      4.42139053      1.48112764      3.87537413
  H     -0.06454179      1.85016236      5.74382641
  O      0.69187789      1.84625450      5.14366580
  H      5.95657145      1.29524811      3.93502350
  H      0.28652920     -2.05835069      3.42136350
  O      0.23295509     -1.88735083      2.46759563
  H      2.63720632      1.10617368      1.20668679
  H     -0.56696074     -2.33147369      2.15600208
          69
 Energy    -248.07685892409518     
  O      0.20851598      2.27631756      1.52230331
  H     -0.75044414      2.19675961      1.58763075
  H      1.30622275      1.59177035     -1.32910120
  O     -2.75251796      5.29134277      1.37753695
  H      0.36988351      3.13974503      1.10791765
  H     -1.61685895      3.49427711     -2.51343215
  O      4.18385782      6.25750108     -0.66976388
  H     -2.21548664      5.63692081      2.10106664
  H     -2.63273834      4.47216237     -3.15134422
  O      2.44699781      6.58580439      1.51357388
  H     -2.32767940      5.60270573      0.56295247
  H      0.67105612      7.97533881     -1.68165289
  O     -1.39810842      6.04563696     -0.86088652
  H      5.08869875      6.52911810     -0.79919305
  H     -0.19753127      9.25155282     -1.81865092
  O      2.06949201      3.25831105     -1.73645325
  H      4.21096816      5.33313662     -0.36331677
  H     -3.42547934      1.67555750     -2.11246298
  O      0.75819856      4.67209674      0.25451277
  H      3.10206945      6.66127291      0.81232624
  H     -4.51355471      2.62386720     -2.63627796
  O     -0.93742480      6.37559363      3.21861984
  H      1.84978401      7.34809921      1.47381516
  H      3.05374671      1.91244102      3.05790191
  O     -1.70418952      2.04750936     -1.49779837
  H     -1.51761565      5.52433046     -1.66473609
  H      1.81631813      2.38363112      2.26510612
  O     -2.55117475      2.52364080      1.15556738
  H     -1.05944225      6.91699093     -1.10289883
  H     -5.20301240      3.79427867      0.03651178
  O      0.38565043      8.37257890      1.50152909
  H      1.80733936      3.66502806     -2.56845745
  H     -4.34781546      5.02268545      0.39237858
  O      0.73267911      0.91590453     -0.94222680
  H      1.61065069      3.76371012     -1.04581044
  H     -5.16239785      5.03470141     -3.38809357
  O     -1.68809668      4.32052194     -3.01859170
  H      1.34000926      5.28641191      0.71934741
  H     -4.66247149      4.69103698     -1.96666657
  O     -0.11377733      8.43656860     -1.33185109
  H      0.02536858      5.18201873     -0.11099983
  H     -0.02245104      4.63166404     -3.63243897
  O     -4.38060680      1.74873310     -2.25370067
  H     -1.15593073      6.76698148      4.06166882
  H      0.99284106      4.67754801     -4.79381014
  O      2.69831963      2.65366682      2.57277993
  H     -0.13305986      5.84921076      3.36799148
  H      1.84970302      4.22796056      3.43219280
  O     -4.99813792      4.69561279     -0.24213036
  H     -1.97978737      2.24785548     -0.59332727
  H      1.94668322      5.68571279      2.98928865
  O     -4.47433668      4.57391782     -2.91543443
  H     -0.88276459      1.54177927     -1.43105289
  H      3.67297342      3.36027534      0.99711519
  O      0.91296439      4.77919620     -3.84815917
  H     -2.61722777      3.47959832      1.29684647
  H      3.50223318      3.35215011     -0.54178541
  O      1.46233910      5.09499769      3.58688927
  H     -3.45155980      2.20057246      1.03161150
  H     -5.87857950      1.27432268      0.57217790
  O      4.06675171      3.67437851      0.17529700
  H     -0.21505198      7.77902096      1.96795127
  H     -4.97611847      1.74211435     -0.59519316
  O     -5.19057971      1.89274755      0.34289845
  H      0.08356109      8.44079311      0.58792142
  H      2.71884863      6.70024905     -1.80288029
  O      1.93909416      6.98190468     -2.29656743
  H      0.61466729      1.18832905     -0.02259572
  H      1.66417891      6.23801725     -2.84520639
          69
 Energy    -248.07681011099481     
  O     13.19321648     11.34516112     -8.74430450
  H     13.17996640     11.31055127     -7.79181876
  H     16.83787381     13.74984913    -17.69402077
  O     11.17587516     10.99979886    -15.52381115
  H     13.81791035     12.05205062     -8.99173551
  H     13.13357408     13.30233060    -12.56617260
  O     14.05831492      9.19448221    -10.44803818
  H     11.53270168     11.25664318    -16.38334881
  H     12.98645100     14.59721897    -11.74288048
  O     18.28707865     13.29403895    -12.91913678
  H     10.93045136     11.81930767    -15.07451100
  H     12.34900349     13.50807941    -16.90435294
  O     11.26838970     11.85491289    -10.72326498
  H     13.87643175      9.89058095     -9.80533335
  H     11.62200377     14.08740934    -15.67116271
  O     11.55707550      9.29678641    -11.76663762
  H     13.21248898      9.03093745    -10.88276944
  H     13.93751948     11.41792624    -13.54235353
  O     13.11914599      9.87697047    -14.03237363
  H     19.22922028     13.43130232    -12.87687542
  H     15.04913692     12.08618713    -12.66228539
  O     14.41717144     15.60195999    -11.03334181
  H     18.12038387     12.69457994    -13.67055122
  H     17.42399892     12.11396120    -15.72298178
  O     14.83189209     14.13537294    -15.24188070
  H     11.82100511     11.68720185     -9.94936460
  H     17.04102721     10.90871773    -14.83295475
  O     14.96290108     10.77460087    -17.17046449
  H     11.67832513     12.59648524    -11.19379659
  H     12.37233682     11.63585273    -18.75090100
  O     10.59313437     13.42771903    -14.16759894
  H     10.69867892      8.93119566    -11.96767498
  H     13.38979496     11.42502614    -17.60768850
  O     16.57242826     13.10073720    -17.04894286
  H     11.40531264     10.20303093    -11.45233919
  H     15.54493154      9.05211568    -11.35573006
  O     12.47898881     13.88964304    -12.15448568
  H     12.64584010      9.56767617    -13.25276875
  H     16.91816199      8.35431764    -11.48632079
  O     12.31859139     14.27179238    -16.31353939
  H     12.44305576     10.22367273    -14.63606240
  H     14.81401665      9.55859149    -14.51423926
  O     14.32952375     12.26070108    -13.28082343
  H     15.07322798     15.51805752    -11.74878139
  H     16.10564248      9.24559416    -13.76803125
  O     17.67790273     11.62818046    -14.92798958
  H     14.43346587     16.51346363    -10.75486400
  H     16.56539878     10.88773290    -11.57460965
  O     12.54391034     11.84785915    -17.83719811
  H     14.70285784     13.42261488    -14.59816283
  H     17.15885538     12.30674427    -11.88052525
  O     16.38395962      9.05495038    -11.85167120
  H     13.96326874     14.31718976    -15.62918337
  H      8.19189534     12.69897423    -11.64085046
  O     15.77616143      9.52294115    -14.63124684
  H     15.27628436     10.23684210    -16.43603287
  H      9.63083408     12.17180849    -11.56156543
  O     16.42762260     11.83599829    -11.45922008
  H     15.56685422     11.52685576    -17.22845830
  H     16.95130443     14.68076914    -12.99864892
  O      8.90529222     12.35825726    -12.17625716
  H      9.85522112     13.10606828    -13.63330127
  H     15.73373294     15.03011165    -13.87967034
  O     16.18876952     15.26736532    -13.05995927
  H     11.25461723     13.71877014    -13.52407800
  H     14.76253139     14.06024233     -9.96926104
  O     14.94048011     13.20656921     -9.55879725
  H     15.95685877     13.54274963    -16.43673036
  H     15.52852461     12.73287295    -10.16469844
          69
 Energy    -248.07667300972264     
  O      1.43663566      1.05290260      4.85281503
  H      1.98559285      1.47076388      5.51154839
  H     -3.06161882      1.11839215      5.23085691
  O     -0.53195162     -0.69840352      6.08679652
  H      0.74011674      1.69604294      4.62513555
  H     -0.29819119      1.87458638      0.92415541
  O     -0.66657082     -0.69088441     -1.18268816
  H     -0.50122810     -1.61462335      5.78348045
  H     -1.74856936      2.47280086      0.92617137
  O      2.14709624     -3.40979681     -0.74757921
  H      0.19120108     -0.22842941      5.65652916
  H     -3.62165670     -0.26986346     -0.50018243
  O      3.73218705     -1.87173802      0.96076713
  H      0.01152990     -0.15083990     -0.76212722
  H     -2.31712766      0.03641780     -1.24863117
  O     -4.56985028      2.37302330      2.59657924
  H     -0.61679370     -1.55813468     -0.76271933
  H     -1.74539290      0.62077351      2.20001075
  O     -3.02276447     -3.66286748      3.75917073
  H      2.72771195     -2.89362072     -0.16685625
  H     -2.40649907     -0.06920403      3.44061038
  O     -0.50556420      2.78148446      4.13530373
  H      2.44047032     -3.22749046     -1.63763378
  H     -0.25528238     -2.83442564      1.09524093
  O     -6.00055132     -0.08193590      2.28128677
  H      3.21379901     -1.29955493      1.54665405
  H      0.43563246     -3.39404714     -0.17463436
  O     -4.86660161     -1.70332086      4.41616936
  H      4.51345045     -2.11100082      1.45457357
  H      1.32200770     -0.97205174      2.53099303
  O     -3.32832261      2.78214337      0.04076347
  H     -4.20803608      2.54270360      1.71896994
  H      1.93966813      0.22395434      3.28891882
  O     -2.95577570      0.16257575      5.16620503
  H     -5.09966823      1.56926755      2.52605867
  H     -3.75486608      3.57712708      5.39105650
  O     -1.02447748      2.16803593      1.48785564
  H     -3.04949160     -3.81127528      2.80909099
  H     -3.73597704      2.78523678      4.06227001
  O     -3.21583766      0.36705368     -1.10163157
  H     -3.73121429     -3.03674653      3.97241537
  H      1.52287168      0.59350105      0.99160301
  O     -2.07010172     -0.21941926      2.54650076
  H     -0.63700698      2.67740307      3.18201486
  H      1.95709433      1.35568861     -0.27843869
  O     -0.42807404     -3.19579446      0.21261362
  H     -1.38791173      2.91381062      4.50031418
  H     -1.56062981     -3.49470468      4.62623658
  O      2.01076898     -0.29011432      2.47516689
  H     -5.36592576     -0.58446726      1.74119964
  H     -0.46283418     -4.15747535      5.49285115
  O     -3.24859809      2.94231767      4.89181140
  H     -6.85999752     -0.21623745      1.88957498
  H     -0.78383736     -1.41422506      2.63925077
  O      1.19187724      1.03310131      0.19167830
  H     -4.25824833     -1.06343701      4.81476241
  H     -0.15680332     -2.57535147      3.46770562
  O     -0.67857190     -3.35784111      5.02179835
  H     -5.38547495     -1.19599967      3.78398940
  H     -3.21991397     -4.78901576      0.42136299
  O     -0.04591387     -2.04371881      2.67017462
  H     -3.32541646      1.92683467     -0.42859377
  H     -2.06962444     -3.76655601      0.55668977
  O     -2.97200489     -3.97554127      0.85325348
  H     -3.58087772      3.44582632     -0.59457922
  H     -3.77481065     -2.30174881      0.84665098
  O     -4.00522484     -1.37187332      0.95177779
  H     -2.12735868     -0.08643223      5.60301223
  H     -3.31599703     -0.97872325      1.51134409
          69
 Ord_Energy   -248.076416    
 O    1.61794829       2.95961547      -1.16599500    
 H    2.25402284       2.48715830     -0.598078549    
 H    2.11628032       3.59695792      -1.67001987    
 O    1.79721546     -0.939093351       3.41946296E-02
 H    1.60173976      -1.87893033      0.110514879    
 H    1.14535761     -0.500103056      0.603468180    
 O   -5.60377884      -6.87270314E-02   1.39481878    
 H   -5.70137453      0.549675882      0.659008503    
 H   -5.33167410     -0.904589236      0.997816563    
 O   -1.98619378       2.14975119       4.69519615    
 H   -2.49895096       2.79799652       5.17373991    
 H   -2.56237030       1.82775831       3.98185110    
 O   -1.89251971     -0.212931201      -1.34315670    
 H   -1.02547312       5.76999992E-05  -1.71764350    
 H   -1.80829847      -1.02896214     -0.835438371    
 O   -4.55400038     -0.509217918      -2.11976457    
 H   -4.74529791      -1.25282586      -1.53507221    
 H   -3.59525633     -0.386877209      -2.05769014    
 O   0.728628397      -3.50990272      0.651464581    
 H   0.882912695      -3.29298854       1.59004509    
 H    1.10169876      -4.37546206      0.507390201    
 O   0.639105976      0.427795410      -2.13104987    
 H   0.933438182       1.33007884      -1.96374989    
 H    1.13606393     -0.124490820      -1.51140141    
 O   -2.79923344       1.99230015       4.16851602E-02
 H   -3.70430851       2.09655452     -0.275082260    
 H   -2.44330812       1.21221530     -0.412336737    
 O   0.376481533       3.34728718       3.44659662    
 H  -0.377914041       2.98004937       3.91759372    
 H   0.106643401       3.38374758       2.51586080    
 O    9.61894169E-02  0.331097424       1.78983557    
 H   0.690044522      0.274731904       2.55150890    
 H    6.79970020E-03   1.25337446       1.52202785    
 O  -0.259030789      0.285831094       5.87171793    
 H  -0.236043707      0.469215482       6.80843019    
 H  -0.895971179      0.904671311       5.48241997    
 O   -1.92187309      -2.55156779      0.263617575    
 H   -2.03342533      -2.09739614       1.11472344    
 H   -1.05619907      -2.97494006      0.295972049    
 O   -4.68737125      -2.45988202      -2.61915401E-02
 H   -5.08424711      -3.32288599       6.73703998E-02
 H   -3.72764611      -2.59256363       3.42124514E-02
 O    1.78818023      -9.20973420E-02   3.95859599    
 H    1.17624569       5.33835515E-02   4.69281340    
 H    2.31935167      0.707844555       3.85429645    
 O    2.90394378       2.36123204       3.27700973    
 H    2.02699542       2.77467012       3.37241769    
 H    3.54038596       2.97835112       3.62826347    
 O   -2.09770012      -1.08222950       2.54264855    
 H   -1.27740264     -0.632903457       2.28107524    
 H   -2.75508904     -0.383267492       2.62504435    
 O   -1.08827877      -2.33049846       4.83425570    
 H  -0.839789033      -1.54369295       5.33100700    
 H   -1.56904209      -1.99205399       4.06481028    
 O    3.18116879       1.51379740      0.508035183    
 H    3.13707852       1.72753334       1.44688153    
 H    2.90548635      0.593186736      0.405556828    
 O  -0.341264606       2.95958138      0.829379320    
 H   0.267496169       3.04534936       8.45232680E-02
 H   -1.22258306       2.76667118      0.480892390    
 O   -3.58453012       1.28527343       2.63594842    
 H   -4.40720558      0.832329869       2.39720321    
 H   -3.22057366       1.60073018       1.79654980    
 O    1.14163375      -2.78334260       3.21769142    
 H   0.382893145      -2.81147265       3.81760240    
 H    1.57845581      -1.94653404       3.41367364    
 O   -5.46320534       1.71151710     -0.870260715    
 H   -5.19990778      0.945795178      -1.41336489    
 H   -6.11577702       2.19318604      -1.37059629    
          69
 Energy    -248.07624664431501     
  O     15.61884464     11.33237426     -9.73849819
  H     16.34871605     11.45968633     -9.13794864
  H     14.31711341      7.76342798    -14.34719065
  O     12.20588655      5.77930663    -12.61520100
  H     16.00029626     11.05920919    -10.59023708
  H     16.35042608      5.09585315    -15.64624730
  O     16.42449480     10.72509697    -12.28536548
  H     12.54590420      6.30609799    -11.87683129
  H     15.07831824      5.82922552    -15.11137260
  O     17.59807511      9.09932319    -14.12871868
  H     12.84687550      5.06887527    -12.73138659
  H     18.39746202      6.18231514    -13.64947842
  O     15.24268184     12.96690844    -13.51673908
  H     16.99370231     10.21875360    -12.88253351
  H     16.87932950      5.97633925    -13.82529292
  O     13.58206078      7.25353005    -10.73008870
  H     16.10724605     11.49760915    -12.77233558
  H     14.20128061      8.23464729    -12.09131116
  O     15.76008807      9.20924363    -16.28135030
  H     17.53565476      8.19859523    -13.77789829
  H     15.13715000      9.38712891    -12.60784767
  O     14.09571918     11.23008215    -15.45171413
  H     16.96107656      9.17116683    -14.85297818
  H     12.69458957     10.13111681    -10.03339679
  O     17.73810737      5.43631457    -16.71880690
  H     14.66726189     13.04609511    -12.73464062
  H     14.11822656     10.21071901     -9.45078582
  O     11.33067002      7.31136361    -14.65208491
  H     15.58876824     13.83744755    -13.69480428
  H     14.44287970      2.98113800    -12.84263340
  O     15.84726302      5.74015853    -11.06827825
  H     13.53052739      8.00335592    -10.12147085
  H     14.87590219      4.24239725    -13.62303962
  O     14.10228806      7.31298068    -15.18057356
  H     14.42117357      6.78045859    -10.62473257
  H     12.99321261      9.55453176    -13.41761168
  O     15.68484220      5.09291882    -14.94317442
  H     15.24242574     10.00762611    -16.10161361
  H     11.69534205      9.11396939    -14.11308705
  O     17.53885228      6.43740054    -13.28810477
  H     15.18028188      8.46985485    -16.04931824
  H     19.93716826      6.81072720    -15.18704781
  O     14.46829841      8.74565482    -12.86829367
  H     13.31894500     10.86783416    -15.00981787
  H     20.74880870      5.57834225    -14.72003782
  O     13.32236092      9.66530443     -9.46793220
  H     14.45840920     11.89053699    -14.84835832
  H     17.63066785      8.34852222    -18.76976781
  O     14.40920999      3.93436215    -12.82737219
  H     17.71780143      6.28050359    -17.18568641
  H     17.00448172      8.54332581    -17.37175567
  O     12.14665555      9.88862792    -13.75703118
  H     18.51632498      5.47006821    -16.14864662
  H     12.98838767     12.40681893    -11.25882679
  O     19.86140485      5.91028529    -14.82363265
  H     11.58014463      6.74079562    -13.90040586
  H     14.37454276     12.52248960    -10.59263435
  O     17.71692224      8.09192134    -17.85503324
  H     10.55754519      6.92079172    -15.04919582
  H     19.19640238      8.36413158    -16.64911242
  O     13.79232137     12.94162174    -11.23896444
  H     16.53475265      6.04617184    -11.67220073
  H     19.14087680      8.82335782    -15.18903207
  O     19.72971026      8.42783889    -15.84663714
  H     15.38287977      5.03981871    -11.54453758
  H     11.72261662     10.70298108    -12.21369850
  O     11.62986437     11.11459205    -11.33908103
  H     13.14045478      7.25936398    -15.20841593
  H     10.69579514     11.24782036    -11.19638411
          69
 Energy    -248.07619314265048     
  O     12.86258206      9.92543948    -10.54871761
  H     13.45667109     10.03912179    -11.30266624
  H     11.99783793     15.56866098     -6.98213386
  O     12.86769561      8.05683791    -13.43954287
  H     13.25334221     10.38793696     -9.79886070
  H      9.94546123     11.78968612    -10.58026372
  O     10.97038742     11.26401359    -11.98030158
  H     11.96513960      8.32426278    -13.65159174
  H      9.01589158     11.23136892     -9.47692577
  O     13.99776765     11.35162278     -8.44822523
  H     13.37307199      8.88194741    -13.40278982
  H     11.98808289      8.15100562     -7.68802138
  O     16.27265415      8.94738457    -10.19914361
  H     11.56231309     11.97502571    -12.25885758
  H     12.45131064      7.19186063     -8.81043954
  O     11.78483858     15.45787499    -11.87694782
  H     11.50903070     10.70845134    -11.39380018
  H     10.99328147     10.31443515     -7.27615837
  O      9.45424302      8.03075887    -11.07440746
  H     13.14102475     11.58688037     -8.06432999
  H      9.91735931      9.37939763     -7.85288412
  O     13.03154553     13.03597124    -12.52140708
  H     14.35607920     10.57761463     -7.99544554
  H     15.45750272      8.56971170     -6.82488925
  O     13.65729163     15.30467926     -9.68224017
  H     15.90355311      8.90367781     -9.31058131
  H     14.20519723      8.36111545     -7.70890053
  O     12.17071348      7.29799270    -10.76130180
  H     15.89171860      8.21089832    -10.69790893
  H     14.65555123     12.41516410     -9.70820793
  O     10.07471160     14.76515947     -9.88474419
  H     11.11078055     15.21969325    -11.21496095
  H     15.65687877     12.43308694    -10.88989466
  O     11.88688309     14.90552941     -7.65800251
  H     11.46649434     16.23639965    -12.32572649
  H      9.67577937      9.44308465    -14.34185375
  O      9.52025126     12.01145079     -9.73980491
  H     10.30592091      7.63029772    -10.85847338
  H     10.42617002      9.98322315    -13.10195870
  O     12.70471067      7.55335388     -7.95575118
  H      9.54810098      8.34748928    -11.98001330
  H      7.57192411      9.17977164     -8.80767416
  O     10.74014480      9.38654688     -7.34987644
  H     12.61227987     13.90386811    -12.46231671
  H      8.74947402      8.96652945     -9.78841062
  O     15.01495143      8.89322155     -7.60491021
  H     13.67221194     13.00346423    -11.79484577
  H     15.14132345     10.65794362    -12.68436187
  O     14.94556619     12.93427505    -10.47411618
  H     14.24166446     14.57385785     -9.92408439
  H     13.80891699     11.35637849    -13.04947007
  O     10.20984886      9.17522192    -13.59800373
  H     13.12242863     15.48564139    -10.46444492
  H     17.59268334     11.12224693    -12.02742015
  O      8.42628234      9.52210333     -9.05689720
  H     12.38896956      8.20951271    -10.49947096
  H     16.60461466     10.32762789    -11.13615411
  O     14.23358968     10.49204738    -12.97142718
  H     12.33660320      7.29627796    -11.71343837
  H     14.17118037      6.79516952    -11.04292172
  O     16.68760695     11.09753065    -11.73033186
  H      9.72256734     13.86649703     -9.84007590
  H     14.50867912      7.19185719    -12.46489071
  O     14.92097393      6.95539248    -11.62655775
  H     10.56316385     14.89710052     -9.06284246
  H     10.81354621     12.08089794     -8.41637135
  O     11.45927696     12.13067608     -7.69708643
  H     12.58280559     15.06089441     -8.32161048
  H     11.60116878     13.07158324     -7.53228011
          69
 Energy    -248.07603423766338     
  O     16.33963920     10.60828137    -16.06245939
  H     17.14354265     11.10267245    -15.86913072
  H     19.52070653      8.79909758    -16.72701469
  O     17.55057211     12.37217140    -10.21307429
  H     16.39619310      9.78937254    -15.54561250
  H     15.89624773      8.18997159    -13.85154025
  O     18.90973997      7.17631184    -14.06915016
  H     18.21213111     11.79094672     -9.81803743
  H     16.04986215      7.56206372    -15.25659789
  O     14.08123312      7.67136226    -18.22393749
  H     17.56077694     12.16050537    -11.15725212
  H     13.95642371     10.95395803    -14.02142107
  O     16.61530343      9.11940850     -8.74710752
  H     18.04468394      7.57307985    -14.26947430
  H     14.60915354     10.95042688    -15.41402989
  O     14.75159220      7.98392729    -12.45278766
  H     18.76025104      6.46644756    -13.42570905
  H     16.62084124      7.76612010     -9.92190227
  O     17.49029264     11.20876391    -12.76889388
  H     14.86293909      8.23465720    -18.36966934
  H     15.95746548      7.41269186    -11.28870360
  O     13.07195067      6.61950876    -14.23313844
  H     13.69960217      7.50256886    -19.08081846
  H     12.92207715      9.45527962    -15.63028184
  O     17.97751020      5.82716491    -16.52731101
  H     16.00551579      9.83760501     -8.95646440
  H     13.01621588      8.41879101    -16.78746994
  O     15.19081154      6.18821747    -16.12244922
  H     17.49788135      9.50820225     -8.76984370
  H     19.18505624      9.73984905    -10.23509797
  O     18.23622610      5.38559884    -12.11231042
  H     14.57690108      8.93434230    -12.39284773
  H     20.09364133     10.04352525     -9.02435869
  O     19.80253879      9.16612652    -15.87957086
  H     14.06611398      7.55487617    -12.97992971
  H     17.99367391      8.33564034    -11.38116079
  O     16.43690487      8.20951595    -14.65172478
  H     17.90240011     10.39537471    -12.44613544
  H     19.02360972      8.38367008    -12.52651159
  O     13.75615305     10.89478846    -14.96286476
  H     17.94477351     11.44296641    -13.58651231
  H     14.59125788     12.01594096     -8.98600362
  O     16.71721867      7.22335745    -10.71786224
  H     12.82003487      7.34707884    -14.83398441
  H     15.93659999     11.86461076     -9.73625432
  O     12.58361159      8.60351660    -15.94656630
  H     12.28229305      6.11365082    -14.06341710
  H     19.33865527      7.47204462    -18.89970875
  O     19.22582714     10.20760554     -9.38504876
  H     17.02133644      5.77226963    -16.39512981
  H     18.50914941      7.05706927    -17.66259623
  O     18.69390827      8.88089852    -11.77121005
  H     18.36067483      6.06038067    -15.67481979
  H     14.70474841     10.99002675    -11.35801702
  O     15.08341645     11.43026311     -9.55549112
  H     14.79765462      6.60679450    -16.90172859
  H     15.68201651     10.93659946    -12.55117899
  O     18.80445455      7.82011165    -18.19017042
  H     14.49347548      6.13906038    -15.45687953
  H     19.23857751     10.75480195    -15.44861018
  O     14.77092014     10.73957219    -12.28736839
  H     17.67711661      5.91876756    -11.52406480
  H     19.42220444     12.29121172    -15.51945670
  O     18.83462914     11.60822988    -15.20831514
  H     18.19718224      4.49250211    -11.78087835
  H     16.30290079      9.78102784    -17.69618528
  O     16.30450544      9.16217083    -18.43982682
  H     19.68900675      8.45385343    -15.23814443
  H     17.17191185      8.74071289    -18.43650375
          69
 Energy    -248.07589026958257     
  O     10.70621142     10.53910565     -9.77397019
  H     10.80454047     11.23794250    -10.44490062
  H     16.49440073      8.94444416    -11.44270384
  O     13.68326188      8.92734126    -17.41942658
  H      9.78902542     10.53141446     -9.51265934
  H     14.29037870      7.90625485    -11.65221905
  O     14.37886242      8.54456510    -14.72875070
  H     13.50332972      9.88382834    -17.45390654
  H     15.00191791      7.92896415    -13.01561633
  O     12.96641408     11.55967756    -17.41792945
  H     14.03663081      8.68277138    -18.27053778
  H     13.70254353     14.02338913    -10.47115491
  O     11.84566229      9.07611519    -13.68829405
  H     14.27585148      8.55529851    -15.68849055
  H     13.51512072     14.70880057    -11.83892338
  O     14.18277130      9.08541454     -8.37605701
  H     13.49136527      8.68724596    -14.36640052
  H     11.90048019      9.21682838    -10.45251325
  O     13.82455056     11.17289788    -11.72973553
  H     13.28241672     12.18049007    -16.74937114
  H     13.19896604      9.60541350    -11.18125355
  O     12.79921508     11.45558853     -8.01575868
  H     12.00539904     11.54218581    -17.32898193
  H     17.63268014     10.74505739    -12.32802101
  O     16.49892217     13.70392363    -11.92295584
  H     11.96165579      8.91405360    -12.74576226
  H     18.70723094     11.30202499    -13.29831575
  O     11.25415974     12.42097354    -11.64002511
  H     11.68198271     10.02215988    -13.80786455
  H     10.80550398     11.66610971    -15.09699588
  O     13.68572450     13.02890614    -15.09190107
  H     13.65787902      9.85274308     -8.09778640
  H     12.13539320     12.27189490    -14.57619730
  O     17.15604349      9.60330544    -11.18802091
  H     13.73805788      8.74191737     -9.15525836
  H     14.60527233     12.06679412    -10.43527341
  O     15.15889427      7.86127893    -12.06503002
  H     14.32074588     11.17703323    -12.55795765
  H     15.56417114     12.03485069     -9.22655545
  O     13.03710412     14.39573244    -11.06041613
  H     13.00004140     11.66155209    -11.84565547
  H     15.09976195     10.15886715    -14.35746622
  O     12.65453826      8.84072435    -10.92525410
  H     12.03898197     11.25628235     -8.57675557
  H     16.20395173     11.15261457    -13.83416550
  O     17.80911832     11.42569065    -13.00583711
  H     13.38489428     12.02060147     -8.53036812
  H     10.38568672     10.19635898    -16.68114134
  O     11.33107315     11.80792339    -14.30041949
  H     17.02676828     12.97780541    -12.27752437
  H      9.36635037     11.21503849    -17.24994066
  O     14.97398061     12.61641133     -9.72316247
  H     16.12738135     13.39075610    -11.09006975
  H     17.00983611     10.39960658     -7.79319819
  O     15.28108839     11.07441530    -14.10571470
  H     11.74467632     13.23520872    -11.44903320
  H     15.69913786      9.92591777     -8.46443200
  O     10.18910280     11.14612078    -16.77404082
  H     11.12342650     12.33769558    -12.59450928
  H     15.35402963     14.58893905    -12.88913081
  O     16.47097791     10.51097981     -8.57194456
  H     13.93599427     13.82027672    -14.60160365
  H     14.92921225     15.93441530    -13.52425325
  O     14.62673500     15.04683263    -13.34888570
  H     14.31052178     12.33842920    -14.81694603
  H     11.19496255      8.56386269    -15.40936064
  O     11.02504437      8.59499874    -16.36033704
  H     16.97174406      9.86131728    -10.27835466
  H     11.89098524      8.54313980    -16.78426130
          69
 Energy    -248.07588885226582     
  O     12.53096042     11.51778401    -14.90774498
  H     12.75496615     10.79059216    -15.50681968
  H     19.78026649      7.85029165    -13.16369254
  O     15.42038288      6.62654326    -13.18999978
  H     13.29553845     12.10379906    -14.90457895
  H     15.87805136     11.05709216    -17.48992903
  O     17.74852555     10.25599697    -11.58635191
  H     16.17787429      6.80784041    -12.61761555
  H     16.97165097     10.95198328    -16.41936760
  O     17.81091637      9.48603242    -15.60356058
  H     14.64020127      6.73723607    -12.63025463
  H     14.67430686      9.15590252    -15.11038035
  O     12.31251627      6.81847984    -15.97680699
  H     17.71061444     10.41122815    -10.63216287
  H     15.32477060      8.21009311    -14.04332026
  O     14.67506621      9.74929189     -8.68979393
  H     16.97847094     10.68623381    -11.98322408
  H     10.41230346     10.81013574    -12.71138998
  O     13.41619475      7.30872108    -11.37305495
  H     16.97355209      9.32214901    -15.14138082
  H     11.70573100     10.85383908    -13.56066099
  O     15.46329578     11.23346713    -12.78282566
  H     18.49500482      9.56203404    -14.93089554
  H     12.14273372      7.34375011    -12.72924587
  O     16.65370236      7.74459093    -17.52452870
  H     11.61564529      6.27556458    -16.33525941
  H     11.41367221      8.56083894    -13.31934674
  O     15.37350207      7.01605777     -9.45122900
  H     12.03961565      7.06345591    -15.07397377
  H     19.02802089      9.95794269    -12.75485091
  O     15.10163255      6.05928315    -15.93350204
  H     14.21526854      9.93258657     -9.52610394
  H     20.38361269     10.32661611    -13.40339364
  O     19.67756251      6.92260713    -12.90513942
  H     14.02630793      9.84774898     -7.99680558
  H     17.45647668      8.39965866    -11.43652181
  O     16.31792461     11.55806614    -16.79342930
  H     13.98996835      7.01588637    -10.65042585
  H     18.22319863      7.11168138    -11.80828416
  O     15.34128241      9.10130181    -14.41463268
  H     13.45354605      8.27440336    -11.35072175
  H     16.43224043     10.27698555     -8.74950730
  O     11.27483108     10.41478746    -12.80413893
  H     15.34090346     11.98776972    -13.36994851
  H     17.83204316     10.06144880     -8.15400502
  O     11.62264490      7.63516253    -13.48988023
  H     15.39386989     10.44738318    -13.35183081
  H     15.07328900      9.61841910    -19.53493196
  O     19.66239108      9.70379006    -13.44779634
  H     17.22201301      8.23061143    -16.91415806
  H     15.67687247      8.93367045    -18.28302790
  O     17.40815301      7.43592059    -11.40061042
  H     16.15757644      7.10081804    -16.99678987
  H     12.67286698     10.29011666    -11.61094705
  O     17.37106751     10.48059237     -8.87772001
  H     15.23422965      7.89538174     -9.08172340
  H     14.19061405     10.59369451    -11.67404227
  O     15.09863583      9.66026299    -18.58359747
  H     16.15211601      7.08393630    -10.02134754
  H     15.10081887     13.92869546    -15.10868797
  O     13.50878513     10.15324750    -11.14668746
  H     14.15239761      6.21228573    -16.00668686
  H     15.46849370     12.51282615    -15.60712395
  O     14.99063962     13.00221637    -14.91319454
  H     15.28647764      6.06976554    -14.98524964
  H     12.96886549      8.48117093    -16.39597322
  O     13.37995428      9.35506503    -16.41314246
  H     19.73378221      6.41732215    -13.71408662
  H     13.87891722      9.44296572    -17.23556084
          69
 Energy    -248.07584647119691     
  O     10.28308616      9.54025136    -11.24817416
  H      9.56617911      9.34398681    -10.65167220
  H     11.30879476     11.69950752    -17.73372998
  O     14.82974847     10.45651932    -12.89427408
  H     10.94156412     10.05107986    -10.74316016
  H     12.99776232     14.47821777    -14.89453223
  O     16.50010243     13.92856527    -13.63596101
  H     14.71199761      9.62936848    -12.41147219
  H     14.11669933     13.45628823    -15.17252655
  O     16.49829699      7.02802265    -13.03142979
  H     15.70083532     10.82122879    -12.68726264
  H     17.82179611     12.07975285    -15.69330229
  O     10.64960634     11.33577677    -13.37766555
  H     15.57437579     14.13514223    -13.81298610
  H     18.27410773     13.22746591    -16.62887915
  O     11.46207065     14.90269825    -15.88878404
  H     16.89473935     13.74040840    -14.49674304
  H     17.95983312     10.87463617    -13.86285065
  O     14.80570738     12.39366852    -16.51814322
  H     16.54886579      7.43473174    -13.90874679
  H     17.70798072      9.82206478    -14.97965821
  O     14.51023607      9.49110218     -9.29221047
  H     17.40051452      6.84930895    -12.77470826
  H     16.11774064     12.28739449     -9.20159484
  O     12.99314476     12.42125224    -12.38296811
  H     10.34028021     10.75007690    -12.67692465
  H     15.79793183     10.82168454     -9.52012689
  O     14.35137577      9.85839516    -15.48378511
  H     11.44431661     11.77447102    -13.04053410
  H     11.24952411      9.92425445    -16.16635754
  O     12.21198566     11.02971078    -10.05543129
  H     10.99311877     15.72571256    -15.99596316
  H     11.29885427     10.19892794    -14.65311205
  O     10.63997437     11.01095548    -17.56643645
  H     10.79082186     14.21835440    -15.71511336
  H     15.76682328      8.82100505    -15.59809011
  O     13.76603138     14.05253674    -14.49492747
  H     15.75254812     12.57969718    -16.49827850
  H     16.75268489      7.92188156    -16.37832619
  O     17.53074234     12.90063987    -16.12982856
  H     14.68142903     11.48099889    -16.22298337
  H     12.13383856     13.76705076    -17.31268287
  O     18.17056297     10.64253877    -14.77920669
  H     14.48654030      8.92459906     -8.52475208
  H     13.32458707     12.81355485    -17.51686834
  O     16.44236023     11.52603239     -9.67901368
  H     14.47488980      8.90739782    -10.07020817
  H     11.36029705      8.42806750    -12.36360804
  O     11.61094408      9.58774701    -15.33666009
  H     13.21732837     13.10767843    -13.02441056
  H     11.86833161      8.34672145    -13.81755697
  O     16.60091487      8.32560081    -15.52715692
  H     13.63551503     11.70990331    -12.52853346
  H     17.10258773     11.62635518    -11.37576483
  O     12.44006041     13.02441835    -17.84691892
  H     14.53533868     10.10946735    -14.56372978
  H     17.01269561     12.50157607    -12.67540714
  O     12.01129314      7.99570601    -12.93150957
  H     13.40072301      9.69462054    -15.53420168
  H      9.86596170     12.21538313    -16.24100538
  O     17.24598976     11.62400742    -12.33146642
  H     13.00001057     10.57008448     -9.74345557
  H      9.92465969     12.36212495    -14.71008904
  O      9.72718221     12.84594307    -15.52456522
  H     12.50206639     11.65311443    -10.73556848
  H     15.09543631      7.57757425    -12.05067426
  O     14.38810509      8.04477241    -11.58458161
  H     10.23383521     10.81400621    -18.40611911
  H     13.55464027      7.91656722    -12.06404236
          69
 Energy    -248.07584016979757     
  O     12.06513115      6.21494047    -12.01622708
  H     12.47577787      6.66556497    -11.26457955
  H     13.99269443      5.65715147    -15.33238977
  O     17.25208847     10.31064089    -15.25676195
  H     12.70287564      5.53891601    -12.27360862
  H     14.24571157      8.06711232    -11.91351509
  O     17.24071671      8.87648060    -12.88096337
  H     16.49028326      9.90487105    -15.69806799
  H     15.44943760      8.58471650    -12.75920178
  O     16.19399125     12.70724949    -14.33366399
  H     16.98974447     11.20343479    -14.99999429
  H     14.81724820     10.12495754     -9.67648227
  O     13.68151204      7.55208787    -10.20600605
  H     17.26321704      9.46485860    -13.64725815
  H     13.48100596     10.84113756     -9.96491723
  O     15.04895407      9.20404861    -16.53855649
  H     17.48700035      8.00014573    -13.20286524
  H     14.23238112      4.42898094    -13.59858604
  O     13.86475567     11.47489229    -15.54054757
  H     16.43722078     13.62667791    -14.39922860
  H     14.02619251      3.42990212    -12.43563777
  O     16.90754877      5.06676393    -16.40802735
  H     16.06977175     12.51557144    -13.38654857
  H     13.30225037      9.69553610    -13.12090189
  O     10.98341081      7.89987506    -13.86178298
  H     13.58176753      8.45333364     -9.86302423
  H     11.82708586      9.59753368    -13.52653331
  O     16.60737632      5.60472792    -11.80598314
  H     14.52542323      7.23056630     -9.86703742
  H     16.52662950      6.49803128    -10.31917428
  O     13.48380821      7.39058214    -15.11267828
  H     14.50146780      8.51583130    -16.13682412
  H     16.76069435      6.51064652     -8.79015287
  O     14.34839748      4.75850071    -15.27756413
  H     14.58728142     10.03833437    -16.36554302
  H     17.56168676      5.92102007    -14.85747548
  O     14.50019950      8.42020845    -12.77503772
  H     14.56708819     11.99457807    -15.13211584
  H     18.53589939      7.09017808    -14.70883683
  O     13.88459905     10.15261429     -9.42390574
  H     13.32772680     11.12770248    -14.81676381
  H     16.57381738      8.89402900     -9.87196960
  O     14.17937370      4.35159802    -12.62879037
  H     16.89502111      5.89540523    -16.91966081
  H     16.93936028      9.51877292    -11.20904753
  O     12.52243852     10.23519164    -13.32793902
  H     17.35705395      4.41922046    -16.94477235
  H     17.82082101      7.84628630    -17.19141935
  O     16.36994597      7.00783788     -9.50366934
  H     11.32088833      7.28819225    -13.18134434
  H     16.31080630      8.10589124    -17.39728601
  O     17.97775487      6.49028493    -14.19689899
  H     10.07912285      7.64950358    -14.02895613
  H     14.80087113     12.17019013    -11.54683530
  O     16.59320685      9.74270396    -10.33220462
  H     15.78719131      5.18549809    -12.09756671
  H     16.10020844     11.41245279    -11.18721623
  O     17.02611747      7.48975225    -17.60636073
  H     17.13305412      5.77618242    -12.59444884
  H     18.58633146      9.21823580    -15.69350513
  O     15.74433682     12.11244791    -11.74587038
  H     12.54544823      7.52945156    -14.94179826
  H     20.02508618      8.82124261    -16.09584129
  O     19.15839284      8.46452072    -15.91893240
  H     13.92681120      7.64391674    -14.28714415
  H     12.69104953     11.44835421    -12.04599820
  O     12.93706377     12.05642700    -11.32847945
  H     15.20593564      4.78367353    -15.71838760
  H     12.25653658     12.72277293    -11.28347999
          69
 Energy    -248.07583023586329     
  O     16.17274594     11.39888290     -9.15228262
  H     16.54325090     11.90685749     -8.43595605
  H     14.26789768      6.31346315    -15.16357447
  O     12.66890772      6.04562138    -11.53796041
  H     16.79750090     10.67379503     -9.33798788
  H     17.38275887      7.50537788    -14.75243078
  O     17.33224772     10.02171472    -12.54416989
  H     13.17623716      5.39132648    -12.03162876
  H     17.93491521      6.22620250    -15.42539756
  O     17.29116579      9.30927524    -15.18772023
  H     13.27208616      6.37913511    -10.85779848
  H     15.93391771      8.84070341    -12.45648669
  O     14.61593559      7.19845363     -9.95156687
  H     17.46046578      9.88651568    -13.49335334
  H     15.01988251      7.86399084    -11.64049272
  O     14.65703620      9.70469695    -16.12201359
  H     16.75407805     10.78730044    -12.42028404
  H     13.42047311     10.01752570    -10.07065773
  O     13.99662335     11.71132983    -14.35325665
  H     17.80973255      9.20155806    -15.99801928
  H     14.59998472     10.35288208     -9.13314041
  O     15.92079537      5.85777982    -17.96493292
  H     16.38374405      9.48933642    -15.46489391
  H     14.31013327      3.32078771    -13.05743518
  O     11.31280493      8.07295927    -12.70639929
  H     14.37683145      8.05483965     -9.56557112
  H     14.53847733      4.62613821    -13.84948709
  O     16.93674770      5.44204991    -12.10896479
  H     15.51265134      6.97557942     -9.67707876
  H     13.84053158      9.60937962    -12.17438612
  O     13.43945875      7.78581779    -14.55510852
  H     14.44330864     10.52177001    -15.65004629
  H     12.30905562      9.64033375    -12.20464130
  O     14.88463596      5.58641525    -15.33349771
  H     14.15988533      9.00356925    -15.67721900
  H     17.26584011      6.15694888    -10.56630527
  O     17.42451500      6.54342821    -14.66908755
  H     14.65095465     12.13575754    -13.78887872
  H     17.84272174      5.98183944     -9.14181873
  O     15.09807288      8.35882444    -12.46628970
  H     13.43343226     11.22748300    -13.73640979
  H     19.03571784      5.13463867    -17.56680681
  O     13.85871046      9.74585430     -9.25682863
  H     15.71969609      6.77176250    -18.20384931
  H     17.61689530      5.75565455    -17.52962367
  O     14.42161476      4.26339169    -12.95629470
  H     15.41514542      5.66651741    -17.16438857
  H     17.72341560      8.43456271     -9.78140490
  O     13.07945309     10.19806903    -12.04105482
  H     11.74450248      7.32565303    -12.25107297
  H     17.83093251      9.55820440    -10.83979881
  O     17.34693840      6.58159893     -9.69277742
  H     10.37426155      7.91163487    -12.66857999
  H     15.20949317      9.09287939    -19.24556430
  O     18.51872670      5.82861384    -17.16746851
  H     16.09838368      4.99945201    -12.28221194
  H     15.21698905      9.08140041    -17.70197409
  O     17.81655318      9.38811705     -9.88666062
  H     17.20898849      5.83596414    -12.94809510
  H     14.54580781     11.52062234    -11.81097509
  O     15.58918589      8.65132893    -18.48959554
  H     12.57932055      7.85892644    -14.12794071
  H     15.70069459     11.93416730    -10.88924143
  O     15.40911612     11.95221234    -11.81130027
  H     14.09311089      7.91649667    -13.84700873
  H     18.57308323      7.72760308    -17.55075010
  O     18.35405309      8.66411146    -17.63368499
  H     15.76818476      5.91113818    -15.10050060
  H     17.49213673      8.69280601    -18.06855248
          69
 Energy    -248.07577795676877     
  O     14.78206520      3.65796024    -10.29697657
  H     14.61424702      2.71854792    -10.14736420
  H     17.15642881      5.13900331    -15.40790949
  O     12.66374207      4.48614821    -11.95399110
  H     14.04527923      3.98935198    -10.82891406
  H     13.97977892      9.27789862     -9.73502832
  O     17.13092563      3.44447571    -11.78725187
  H     12.16767540      5.27252140    -11.70364616
  H     13.67147326     10.73865402     -9.32461861
  O     18.85844384      7.32607851    -13.62251011
  H     13.19094764      4.75426014    -12.72462442
  H     15.84562520      7.78793308    -12.19304135
  O     12.92571176      1.75675075    -12.65736027
  H     16.30876588      3.53778036    -11.28289818
  H     14.91477882      7.17658527    -11.10715031
  O     14.37734063      0.87391748    -10.33896829
  H     17.64805123      4.23630426    -11.59806258
  H     12.96087885      7.22613299    -10.02541402
  O     16.85655867      9.18484368    -12.84987681
  H     18.68292397      6.82790601    -12.80714903
  H     14.19670500      6.87599935     -9.09491471
  O     16.89809395      9.52071126    -10.07065073
  H     19.80573608      7.42272774    -13.68775288
  H     14.14125346      1.45820549    -13.89504107
  O     14.33057404      5.42604211    -13.86126229
  H     12.66765667      2.66283438    -12.44408658
  H     14.56754188      0.70059467    -15.17383525
  O     14.74221876      9.72158663    -14.59550558
  H     13.26178926      1.37858485    -11.83535989
  H     10.68873506      7.28576084    -11.30345706
  O     14.97363561      7.34982701    -15.79818224
  H     14.33468862      0.13991372     -9.73275982
  H     12.04898441      7.79264667    -11.82842406
  O     17.40656126      6.00748837    -15.75008445
  H     15.14451751      0.71884243    -10.91931819
  H     17.08502041      6.24551715    -11.54204588
  O     14.13161948     10.21144949     -9.97298504
  H     17.55244404      8.67346762    -13.28154153
  H     18.14388278      6.37589073    -10.43984099
  O     15.46674770      6.95999633    -11.86685402
  H     16.21862772      9.46698711    -13.51869795
  H     15.91665977      2.83018510    -14.63721459
  O     13.76425454      7.56829237     -9.61688227
  H     16.01129588      9.87882937     -9.94584325
  H     16.72735390      3.58952822    -13.56403976
  O     14.89505955      1.26870979    -14.48167892
  H     17.02678679      9.51045259    -11.02894655
  H     16.01772105      0.77974975    -12.98088592
  O     11.61386868      7.05933274    -11.35747726
  H     15.01145750      4.79935537    -14.14115688
  H     16.88049645      1.57953143    -11.98762505
  O     18.01044536      6.03731742    -11.33373780
  H     14.73336571      5.99384688    -13.18577625
  H     16.19154194      6.08834828     -8.55555177
  O     16.39095159      3.65434011    -14.46929385
  H     14.57374657     10.40831542    -15.23469204
  H     15.24319410      4.93726606     -9.02066467
  O     16.43418788      0.73047748    -12.11116082
  H     14.80588400      8.88380489    -15.09157260
  H     18.29774912      7.47892058     -8.08804063
  O     15.31501334      5.70461905     -8.43609209
  H     14.52464999      6.70262421    -15.23964371
  H     17.45218623      8.07391342     -9.23724979
  O     17.76529487      7.24018176     -8.84220133
  H     15.85396591      6.97321758    -15.94063205
  H     13.33480263      9.70717318    -11.69218558
  O     12.92310540      9.22907163    -12.42233480
  H     17.95151321      6.41753685    -15.06892635
  H     13.48028208      9.38590491    -13.19344740
          69
 Energy    -248.07553148364366     
  O     10.73961901      9.11804095    -12.12181676
  H     11.22703708      9.80747465    -12.58867917
  H     13.87284300     13.10273090    -15.84146724
  O     14.32841938      6.82202436    -14.61698897
  H     10.34352922      8.56496487    -12.80782950
  H     15.39306341      9.53429305    -13.20058664
  O     16.21061578     12.03799554    -10.63831483
  H     14.78091699      6.44620633    -15.38459625
  H     16.08531185      9.75823676    -14.56191717
  O     18.09033708      9.73809328    -17.12489051
  H     14.80829803      7.63144423    -14.37826757
  H     11.50682210      7.04318210     -9.84572239
  O     12.18999265      8.49564406    -15.48252800
  H     15.77315978     12.75954587    -10.19480748
  H     11.59197113      8.01103557    -11.04917722
  O     14.47399312     10.35703517    -11.83087994
  H     15.51689450     11.51478450    -11.07983647
  H     18.52254850      9.35527554    -10.83736471
  O     15.58916850      8.65592044    -18.01469588
  H     17.67687876     10.35422569    -16.49671672
  H     20.05923314      9.38599691    -11.01479945
  O     15.92852751      6.10285903    -12.24514891
  H     18.73133605     10.24163927    -17.62031629
  H     12.91656152      6.12684971    -13.56123238
  O     16.79813556     11.29337036    -15.28731488
  H     12.90008311      7.87560200    -15.27238177
  H     12.22326190      6.24982190    -12.18036661
  O     15.86025415      6.03580107    -16.78678165
  H     11.36634720      8.08839529    -15.18733994
  H     17.41991545     11.90316328    -12.09817116
  O     18.21972556      7.10241444    -16.03133968
  H     14.47064968      9.50709357    -11.36597501
  H     18.50788252     10.89476212    -12.48544264
  O     14.13658333     12.25863279    -15.48435784
  H     13.70057660     10.42444884    -12.40577868
  H     18.57454312      8.15633484    -12.69978866
  O     15.75124543      9.07397352    -13.96986268
  H     16.46315454      9.01832006    -17.82583256
  H     17.25978073      8.16005148    -13.51443745
  O     12.07253688      7.31799739    -10.56308387
  H     15.60525452      7.74847745    -17.69133579
  H     16.82630578     10.35923773     -9.90542801
  O     19.23753194      9.39107382    -11.49828793
  H     15.39325357      6.07743990    -13.04446038
  H     16.35039267      8.88781591     -9.90858053
  O     12.11782230      5.89369458    -13.07106057
  H     16.78493386      6.45619559    -12.52422281
  H     14.24342732      9.75626152    -17.56731091
  O     17.96827245     11.61256614    -12.83747061
  H     17.23092197     11.49697185    -14.44207192
  H     12.93819282      9.67059661    -16.75112390
  O     18.03851203      7.62388475    -13.29942827
  H     15.94781857     11.74772696    -15.32395810
  H     15.20959345      7.26291632    -11.08650250
  O     17.12720658      9.44887447     -9.79102031
  H     16.74405059      6.34777132    -16.51755300
  H     13.87460081      7.68438405    -10.41177607
  O     13.52884004     10.29258203    -17.19326115
  H     15.99140890      5.24214881    -17.29838277
  H     13.00265441     11.32750889    -14.23964318
  O     14.79247660      7.95118268    -10.54597277
  H     18.30529436      7.20076148    -15.07311787
  H     12.40769075      9.90922028    -14.33703348
  O     12.51530187     10.66261177    -13.73816561
  H     18.29847358      7.98975908    -16.40316119
  H     10.72110650      6.65589542    -13.78669797
  O     10.04396665      7.24232701    -14.17223346
  H     13.92272522     11.58809537    -16.16237667
  H      9.30197985      6.69398559    -14.41064653
          69
 Energy    -248.07547969168894     
  O     17.38557624     10.56410142    -15.50597164
  H     16.56299466     11.03917394    -15.66740599
  H     12.20569317      8.75896556     -8.37144782
  O     15.27420279      7.21572935    -10.74970392
  H     17.60032416     10.71819039    -14.57489446
  H     14.99587932     12.57154692    -12.33473237
  O     11.85742114      8.32701980    -13.17652719
  H     15.49340582      6.66735019    -11.51613567
  H     16.42314340     12.36086338    -12.87988820
  O     14.06040330     11.64142810    -11.00840213
  H     14.31735562      7.14064250    -10.63002345
  H     14.80100049     10.23286853    -11.84346798
  O     19.12376522      8.84232353    -11.40232226
  H     12.51103493      8.75095768    -13.74964522
  H     15.27153165      8.74192042    -11.75841298
  O     13.15893282      5.46624052    -16.43209317
  H     11.55198021      7.54287687    -13.65023646
  H     17.67421660      8.90591565    -15.82564189
  O     15.60381495      5.78303735    -13.10943106
  H     13.16075911     11.27903377    -11.00831857
  H     18.44702724      7.83463814    -16.63305964
  O     13.94083283      9.43480206    -14.67788033
  H     14.45856882     11.48574883    -10.14332845
  H     12.84836739      5.38264635    -11.77962783
  O     15.48588757     10.94216443     -8.66419926
  H     20.04236866      8.63188406    -11.25794190
  H     12.44947668      5.02681903    -13.21150699
  O     13.81257982      8.92111991     -7.68294530
  H     18.78431383      8.18219776    -12.03388666
  H     18.11131052      7.36659044    -14.14089136
  O     17.05040391      8.88937627     -9.44520788
  H     13.90814758      6.03863937    -16.19879027
  H     17.37428756      6.49959782    -13.10512700
  O     11.36381434      8.63001367     -8.84195234
  H     13.53752702      4.68819617    -16.83391273
  H     11.45376819      9.82091534    -10.34338066
  O     15.59109071     12.81876277    -13.05591876
  H     15.43916031      6.24174322    -13.94380532
  H     11.58515252      9.73405909    -11.87761862
  O     15.25242023      9.52306746    -12.32242731
  H     14.79098196      5.29347221    -12.91431121
  H     12.32840908      7.46800948    -11.61932290
  O     17.81036374      7.94652519    -15.93259658
  H     14.11139365     10.28839365    -15.09189319
  H     12.03993652      7.42248677    -10.09768518
  O     13.07972031      4.80216747    -12.51733691
  H     14.44863647      9.43566695    -13.84881698
  H     10.43627277      5.53397900    -14.78368711
  O     18.13674708      7.07974539    -13.21985533
  H     15.99277482     11.58025200     -8.16880752
  H     11.89477254      5.74906425    -15.24761448
  O     11.65379447     10.34156184    -11.13054402
  H     16.10927750     10.25388450     -8.96248734
  H     14.70837552      7.95320220    -15.32853101
  O     12.52156525      6.97947868    -10.80501345
  H     14.44206564      8.21379490     -7.55131841
  H     16.06981269      7.36121096    -15.79434817
  O     11.27555401      5.89697555    -14.51213346
  H     14.33797081      9.68295230     -7.96694674
  H     15.07614129     12.33112025    -14.65820182
  O     15.16177683      7.13008550    -15.56332675
  H     16.46338656      8.21074170     -9.80951325
  H     14.56403577     12.67548136    -16.07567218
  O     14.86236745     11.95284776    -15.53038107
  H     17.81656800      8.91217385    -10.03055769
  H     18.30894275     10.34048938    -12.27526920
  O     17.63800744     10.85174131    -12.73973648
  H     10.67984494      8.58951995     -8.17903062
  H     16.81488810     10.35150792    -12.61708036
          69
 Energy    -248.07544333822949     
  O      1.75047772     -1.25876082      5.80762520
  H      1.81806182     -1.59929546      4.90523015
  H      1.78059151     -0.17121708      1.06254704
  O      1.41359109      1.90817070      8.33718309
  H      1.81876924     -0.29646063      5.75179835
  H     -0.22440129      3.43085501      1.61656416
  O     -1.44485875     -4.55571095      3.76244364
  H      1.35291656      1.02403774      8.74101558
  H      0.78316349      2.51384098      2.35364610
  O     -1.45252275     -1.27333075     10.35026697
  H      1.90681121      2.45247450      8.94520445
  H     -1.51187321      1.09941993      4.56987542
  O      1.78876797     -5.32560132      6.44993035
  H     -2.12315900     -5.18367482      3.52370487
  H     -0.78349066      2.23193994      3.80626639
  O      1.68821426     -2.10840306      3.18896897
  H     -1.39358310     -4.56397955      4.73245773
  H     -0.18798733      0.87050126      1.24813010
  O      1.43472376     -4.80844028      3.81727659
  H     -1.89728523     -0.85448893      9.59343759
  H     -0.44557105     -0.65917102      1.33518805
  O      1.86919054     -2.92490195      8.00747351
  H     -1.96877415     -1.06634652     11.12458487
  H     -1.24601526      2.27384748      6.52056241
  O      1.17294350     -0.55353818      9.45165907
  H      1.78673970     -5.16450582      5.48958565
  H     -0.40059885      2.23159564      7.81504491
  O     -0.70026647     -3.70490486      9.04699969
  H      2.17266526     -6.18845102      6.58296926
  H      2.32438456      1.88832671      3.86441495
  O     -1.05627603     -1.95516636      2.60417303
  H      0.74721188     -2.00355320      2.98601219
  H      2.65234386      1.28805944      2.46855235
  O      2.70914340     -0.27724416      1.34152413
  H      2.17347884     -1.54909343      2.57085564
  H     -0.00626600     -1.51383330      6.13740770
  O     -0.15308876      2.61185579      2.09967797
  H      1.68535935     -3.91634478      3.53977468
  H     -0.96844311     -2.70333306      6.37706628
  O     -0.95102091      1.87837618      4.68850631
  H      0.48636721     -4.86720747      3.65278198
  H     -1.87927717     -0.77657512      7.47851670
  O      0.05530578      0.01887107      0.86415186
  H      1.99409195     -3.79441920      7.60917470
  H     -2.07255418      0.70751714      7.90778758
  O     -1.30745417      2.23667211      7.48436664
  H      1.91921432     -2.30591342      7.26253224
  H     -3.91588134     -0.08480026      6.94106361
  O      2.37938125      2.09510384      2.92161968
  H      0.32567079     -0.78346002      9.85205196
  H     -5.15432523      0.66894969      6.43516920
  O     -0.93557328     -1.74701523      6.26228743
  H      1.52664464     -1.37053091      9.08011583
  H     -0.04654694     -4.90397319      6.44880610
  O     -2.41237361     -0.19229323      8.03770495
  H      0.18863280     -3.43123185      8.78069062
  H     -1.09495782     -4.37854319      7.43717555
  O     -4.53739717     -0.01998699      6.19931646
  H     -1.04672079     -2.97771718      9.57533679
  H      0.74872487      1.60455023      5.28756448
  O     -0.95298529     -4.57109725      6.49686452
  H     -1.62693795     -1.37901834      3.13425116
  H      1.68960694      1.72105822      6.51835512
  O      1.66369783      1.48216590      5.58295684
  H     -1.24994506     -2.85616239      2.88974735
  H     -3.30271036     -0.28671352      4.86687373
  O     -2.46101945     -0.44404368      4.41902737
  H      3.22900521     -0.36892828      0.54765673
  H     -1.91873516     -0.95471280      5.04245604
          69
 Energy    -248.07534725673827     
  O      1.22184652      1.02253901      4.03226046
  H      0.67880923      0.44617017      4.60229027
  H     -3.76146620      3.26841006      1.16964554
  O     -0.69383075     -0.50351111     -3.60304214
  H      1.93809592      1.34448548      4.57296471
  H     -3.79285023      1.46529265      4.91432559
  O     -0.49143600     -0.43357790      5.51097664
  H     -0.28102287     -1.33824095     -3.34833605
  H     -3.54289697     -0.04696161      4.92130438
  O     -2.39054378     -0.14424156     -1.38084206
  H     -1.42995668     -0.38015010     -2.98778773
  H     -1.77008572      3.02694144      1.99729700
  O      0.63059396     -2.74066926     -2.36751299
  H     -1.38246839     -0.08425782      5.60880629
  H     -1.50209509      2.79094724      0.49907243
  O      2.11710984     -0.75089330     -1.23552975
  H     -0.57222128     -1.32566522      5.13795069
  H     -3.64484630      0.29063710      1.00138090
  O     -4.90069727      2.64598117      4.06200120
  H     -3.22263908      0.09291254     -0.95625018
  H     -4.65776041      1.40319671      0.64018144
  O     -3.15860666     -4.15441058      3.73324032
  H     -1.71505116      0.43274617     -0.99414662
  H     -1.98781525      0.62862946      2.57070916
  O     -1.32303956      2.09836573      3.49255088
  H      1.21101218     -3.40567328     -2.72810112
  H     -2.89705854     -0.61176928      2.84192541
  O      1.05743030      1.41472449     -2.79649377
  H      1.19843784     -2.08870584     -1.91912234
  H     -0.94355758     -2.95368444     -1.37150506
  O     -4.11716634     -1.51632138      3.90122301
  H      1.99931808     -0.46617009     -0.32037166
  H     -2.00618167     -1.89985832     -0.99614160
  O     -4.72842902      3.16588819      1.26055858
  H      1.92876560      0.02525991     -1.77763861
  H      0.75165790     -0.68690940      1.40815653
  O     -3.15520217      0.79385659      5.19980780
  H     -4.86955792      2.81934631      3.11081348
  H      1.38007684      0.46750837      2.22250442
  O     -2.06359457      3.28359109      1.11099206
  H     -5.35592085      3.39215646      4.44701727
  H      0.10585232      1.68645864     -1.20514541
  O     -4.41776928      0.48990676      0.44583343
  H     -3.46108752     -5.02110022      3.98965672
  H      0.16220617      1.12816979      0.24111006
  O     -2.38348285     -0.15205906      2.16344383
  H     -3.26342625     -4.09366501      2.76637717
  H     -0.45131017     -2.64993747      3.28846904
  O     -1.70858641     -2.80102584     -0.80257434
  H     -1.88493934      1.75249067      4.19950927
  H     -1.46795951     -3.40383617      4.15148061
  O      1.26466303      0.13277320      1.32627589
  H     -0.41219226      1.85079722      3.69579054
  H     -0.75911716     -2.41604284      0.74769585
  O     -0.40993220      1.57846084     -0.39622045
  H      0.43873852      0.77730418     -3.19667052
  H     -1.13533203     -1.33963938      1.77725527
  O     -0.68336425     -2.84662541      4.20606267
  H      1.37127421      1.97627863     -3.49948538
  H     -4.31507125     -3.09615681      1.08272216
  O     -0.44337965     -1.98060879      1.54731463
  H     -4.78069652     -1.55716363      3.20084525
  H     -2.99181548     -3.51161326      0.38522564
  O     -3.60843434     -3.75239503      1.08819574
  H     -3.78165047     -2.41698686      4.00301964
  H     -5.31496000     -0.92144860      1.04528396
  O     -5.64061757     -1.72298163      1.48781513
  H     -5.12673271      3.88945935      0.78467514
  H     -6.56416625     -1.80574116      1.26396109
          69
 Energy    -248.07527647465685     
  O     -5.21120355      3.72827843      1.31872300
  H     -6.08177553      3.80226158      1.70057257
  H     -5.26632796      3.70537400     -1.92223715
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  H     -1.50659604      2.66653985     -2.17551591
  H     -1.31594292      3.09393190      4.71152151
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  H     -2.77354173      3.51361506     -1.92321128
  H     -1.19351362      6.33844928      1.00261867
  O     -0.71884819      1.46292853      5.23272397
  H     -2.67795238      0.74121137     -1.27887182
  H     -0.85606849      6.65690680      2.47265951
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  H     -3.52526933      1.11694971      0.74264344
  O     -1.71823261     -0.13315141      3.07230858
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  O      0.93512511     -0.01152068      2.18714308
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  H     -2.97714602      5.86630921      2.39842042
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  H     -1.99008448      2.60894811      1.47258441
  H     -3.02994921      4.74221190      3.44171015
  O     -4.61517438      3.27015267     -1.37632304
  H     -1.12373534      3.83097174      0.96677348
  H     -0.75103866     -0.07034722     -1.88909519
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  H      0.30099608      6.50720243      4.76221409
  O     -1.52849154      6.78373276      1.79335412
  H     -3.45549357     -1.19139955     -0.70937531
  H     -0.39683600      5.26581437      4.16021534
  O     -3.45749145      1.52235723      1.61910802
  H     -2.28311877     -2.11980584     -1.06294063
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  H     -2.36347062      0.45087418      2.65143430
  H      0.13122173      2.22118072      0.71280141
  O     -0.94419977      0.86525621     -1.74906978
  H     -1.95530516     -1.03394640      2.81738797
  H      0.69466143     -1.65479468      1.27522919
  O      0.23662255      5.97982042      3.96986031
  H      0.99054245      0.57011677      1.41420878
  H     -0.50016980     -2.62266292      1.26287898
  O      0.82585836      1.83097348      0.15538227
  H      0.01072546     -0.01817845      2.47979947
  H      2.95318927      4.70232545     -0.27410125
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  H      2.03475106      3.41207080      3.22083377
  H      2.17527439      4.30297146      1.00490199
  O      2.14604875      4.29715766      0.02965493
  H      1.52852825      4.87575905      3.17082335
  H     -0.98053381      4.66135199     -1.00135774
  O     -0.57927512      5.11338127     -0.24380798
  H     -4.82393088      3.50075291     -0.45744956
  H      0.36728638      4.92600616     -0.25566647
          69
 Energy    -248.07525414424964     
  O      2.42116498     -1.52383955      4.82414782
  H      1.94163069     -1.91252805      4.07865649
  H     -0.85054667      1.65594453      1.36336124
  O      3.39990203      2.51210559      6.61910737
  H      2.49283060     -0.57271860      4.65361858
  H     -1.07073844      1.46840815      4.74398792
  O     -3.40423306     -3.32545849      6.25722420
  H      3.40199939      1.75665515      7.23450656
  H     -0.49119554      2.30582121      3.56531801
  O     -1.20207701     -1.26256730      9.54097253
  H      4.15150022      3.05363549      6.84294813
  H     -1.54963436     -0.50310758      1.49603783
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  H     -3.55255134     -2.50178213      6.73128479
  H     -0.35736138     -0.37262094      0.52640580
  O     -0.26503097     -4.69360108      4.11738925
  H     -2.51205961     -3.61003230      6.51331141
  H      0.18486150      2.82075017      6.13770280
  O      3.22854758     -2.31334236      7.34013569
  H     -1.20358411     -1.20847623     10.49398614
  H      1.52040293      2.99387977      6.89085280
  O      3.15009781      0.37443692      8.26578147
  H     -0.65206094     -0.52578802      9.21872914
  H      1.28034626      1.88900139      1.58800622
  O      0.91509261     -3.32912695      8.79205883
  H     -0.12971681     -2.05070306      2.92044056
  H      2.33231365      1.32205267      2.55562301
  O     -1.89599528     -1.49479210      3.00151816
  H      1.07454453     -2.03965146      1.95063333
  H      0.85412290     -1.33602980      5.71006418
  O      1.47532162     -1.00962971      0.46147962
  H     -1.19313782     -4.58613539      3.87315640
  H     -0.27536944     -2.15880446      6.39892481
  O     -0.54902566      2.50872481      1.72583526
  H      0.21610188     -4.03920936      3.59535951
  H     -3.26168676     -3.73795788      4.57764896
  O     -0.35938711      2.07273662      4.49311484
  H      3.01037916     -2.10318363      6.41698455
  H     -3.74906929     -4.50329661      3.32360557
  O     -1.18363213      0.04926555      0.79084475
  H      3.93985015     -2.94951926      7.31287965
  H      0.32084687      1.44110275      7.93198761
  O      0.56415207      2.96041884      7.01593498
  H      2.20033653      0.43466421      8.43808100
  H      0.27409678     -0.06507856      7.52946987
  O      2.09059550      1.36564525      1.62089695
  H      3.30936990     -0.54335496      8.01640214
  H     -4.08846257     -0.49680125      8.27569209
  O      0.03367477     -1.26192660      6.21096027
  H      1.67615037     -2.89985805      8.38118826
  H     -2.64952946     -1.03644055      8.36410749
  O     -3.04383765     -3.95262271      3.65221625
  H      0.31275455     -2.63199026      9.07313363
  H     -0.11796949     -3.95336263      7.40875859
  O      0.34314402      0.53983539      8.28430090
  H     -2.09743657     -0.93209115      3.76038950
  H     -0.42574664     -4.29307349      5.88307753
  O     -3.37390405     -0.84735432      7.74811667
  H     -2.35900901     -2.33178887      3.13665974
  H      1.36996773      1.45427209      4.47054945
  O     -0.76114890     -3.87971183      6.69204771
  H      1.77771034     -0.16817907      0.84883687
  H      2.77146807      1.68877491      5.09903090
  O      2.30121465      1.19441399      4.41599099
  H      2.00778815     -1.16432666     -0.31375077
  H     -1.32285497     -0.40350956      5.57002627
  O     -2.13182800      0.06984692      5.30963622
  H     -0.94918238      3.19174610      1.19471480
  H     -2.73432754     -0.06686509      6.04716762
          69
 Energy    -248.07518724037857     
  O     13.37389073     10.98151078    -15.40996009
  H     13.43640821     11.89485165    -15.67992646
  H     15.00745700      4.47594619    -15.90742973
  O     13.37595015      4.18635725    -16.54524253
  H     13.94991458     10.88237686    -14.63339371
  H     14.75808955      8.88217690     -9.91276630
  O     13.57596698      6.27066912    -11.34068398
  H     12.93268616      3.90142884    -15.73718968
  H     14.52514383      7.36728522    -10.09963540
  O     16.73528465      7.36325464    -11.82622964
  H     12.91110542      4.96886725    -16.86585094
  H     14.87829559      7.63085092    -14.39419622
  O     12.63410106      3.22106677    -13.89581969
  H     12.63747513      6.32510325    -11.12125881
  H     14.42584011      8.72401054    -13.39330634
  O     11.12662106      9.81918747    -14.02264360
  H     13.72638653      6.85451193    -12.09805461
  H     13.61379316      9.53538240    -16.63604176
  O     12.14006949      6.63350040    -17.40010542
  H     16.04081442      7.41442807    -12.49272978
  H     14.58809886      8.34915662    -16.82364969
  O     18.56442925      7.94888107    -15.36234211
  H     16.31649313      7.62081189    -10.98936414
  H     10.66321790      6.04497835    -11.67508247
  O     11.77569359      7.16850931    -14.68867259
  H     13.44695488      3.49495098    -13.44252862
  H     10.20307739      6.31662946    -10.22218438
  O     17.60266523      4.77811381    -11.87263606
  H     12.59855455      2.26882922    -13.83111306
  H     11.40118815      9.54580833    -12.26612090
  O     18.39289814      5.34449725    -14.57365604
  H     11.17811828      8.90319395    -14.32768014
  H     11.29645918      8.43450012    -11.18635624
  O     15.75882697      4.74137109    -15.35617476
  H     11.78715308     10.29774276    -14.53605465
  H     14.44648815      4.90518533    -12.13643777
  O     15.14442632      8.01508542     -9.73556183
  H     12.72431544      7.41338484    -17.42359564
  H     15.83119937      4.24286462    -12.34195830
  O     14.37402939      7.77650511    -13.58050677
  H     11.54092355      6.71458845    -18.13741185
  H     11.24065887      4.41768264    -13.35730253
  O     13.78368903      8.75530312    -17.17673690
  H     19.29646502      8.06025057    -15.96337610
  H     10.94866498      5.87506874    -13.74563509
  O     10.83452715      6.58652368    -10.88318614
  H     18.60087830      7.02843092    -15.04575474
  H     13.07757041     10.06323979    -10.81223805
  O     11.66488192      9.30539500    -11.36537414
  H     12.66373811      7.36554972    -14.36724284
  H     13.73483174     11.18893797     -9.97371690
  O     14.92477374      4.25391905    -12.67180453
  H     11.84472562      6.97945038    -15.63349352
  H     15.83157854      6.47141863    -15.80254904
  O     10.65978037      5.16050519    -13.15798657
  H     18.10891555      4.55413644    -11.09587766
  H     16.77266254      7.71198760    -15.78425448
  O     13.93138843     10.46776875    -10.56551022
  H     17.36342130      5.71843478    -11.79135169
  H     15.86032335     10.30610798    -13.23421469
  O     15.85214374      7.43743914    -15.87188040
  H     18.31004957      5.08842960    -13.64799716
  H     14.65007316     10.58556629    -12.26572163
  O     14.90653858     10.47593617    -13.19046494
  H     17.59083840      5.00878982    -14.99732277
  H     17.95424219      9.20990097    -14.04065711
  O     17.51849248      9.62897873    -13.28928115
  H     15.48090272      4.60489011    -14.44152105
  H     17.44389202      8.92542538    -12.63080808
          69
 Energy    -248.07501451593009     
  O     12.19863771     10.99906000    -15.06406880
  H     12.58758545     10.22876145    -15.50380598
  H     19.36209103      8.34614000    -13.08806354
  O     15.42357537      6.30741460    -13.19233893
  H     11.64389193     10.65150100    -14.35752796
  H     15.50436047     11.83172823    -16.10109041
  O     17.37819488     10.57646961    -11.17269814
  H     15.54446835      7.20120478    -13.55035389
  H     16.79687762     10.99030010    -16.24254418
  O     17.94101697      9.94110394    -15.27796649
  H     16.19086025      6.11638722    -12.63985679
  H     14.86563225      8.81284923    -14.95376339
  O     12.12431467      6.37933416    -16.09242826
  H     16.55514655     10.84314412    -11.59963408
  H     16.37055758      9.14789939    -14.66822574
  O     13.13971922      6.87054134    -11.79249810
  H     17.17465703      9.77238045    -10.67140713
  H     11.51205537      9.81879150    -12.24049421
  O     14.99300909     10.94926074    -12.62142072
  H     18.44145520     10.16260553    -14.48173339
  H     10.02252763     10.18735131    -12.42227113
  O     16.65837253      7.04140067    -17.28058434
  H     18.37047007      9.16773356    -15.66703300
  H     15.79946124      8.01851652     -9.66521326
  O     13.92724201      7.76365282     -9.30595478
  H     11.46360480      5.95148859    -16.63018591
  H     17.00677508      7.43123123    -10.43672266
  O     19.01543113      7.49645504    -16.11643423
  H     11.70159738      6.58512515    -15.23972332
  H     11.70357605      6.81640351    -13.00206319
  O     14.85429507      5.51425828    -15.84202524
  H     13.92657163      6.58557798    -12.28197882
  H     10.85012072      7.99267702    -13.50448508
  O     19.24198133      7.40645396    -13.27362359
  H     13.11542315      7.83696588    -11.83499402
  H     18.67904632     10.38207527    -12.24218256
  O     16.05871884     11.37028891    -16.74044467
  H     15.20650702     10.16211745    -13.14727280
  H     20.12707179     10.75940277    -12.63845963
  O     15.55069541      8.82739326    -14.27103909
  H     14.80921538     11.64895867    -13.25886080
  H     18.15678196      5.28689080    -11.23498702
  O     10.77562261      9.81566967    -12.87535222
  H     16.01629310      6.47470839    -16.82734654
  H     18.27688393      6.51616439    -12.16618714
  O     16.70191594      8.20433454     -9.94646849
  H     16.16962298      7.76603704    -17.68366250
  H     15.53063023     10.10824937    -17.79988566
  O     11.08097628      7.07581622    -13.69444548
  H     13.53087945      7.37308718     -8.53102648
  H     15.14364130      9.59211038    -19.20752002
  O     19.38004622     10.23081850    -12.90336485
  H     13.63216607      7.23564161    -10.06630116
  H     13.31756722      9.30707802    -10.43343145
  O     17.67597292      6.04218230    -11.56215140
  H     18.17149685      7.26122469    -16.54538242
  H     13.70284537     10.18483585    -11.66762595
  O     15.21153389      9.33031161    -18.29366865
  H     19.70847092      7.23432592    -16.71583081
  H     13.51820196     12.09884642    -14.90730414
  O     12.98823090      9.67050142    -11.26199553
  H     13.90978418      5.68411338    -15.93051092
  H     14.08486453     13.53978790    -14.87348618
  O     14.33260744     12.62273292    -14.79168675
  H     15.05980240      5.63917086    -14.90594256
  H     13.98281942      8.94619906    -17.00133942
  O     13.49397623      8.81507320    -16.17822296
  H     19.17577800      7.32854537    -14.23310331
  H     13.02835956      7.97137345    -16.23425482
          69
 Energy    -248.07496411143751     
  O     21.04433478     11.43417156    -18.39931226
  H     21.68474897     11.08400404    -19.01240762
  H     20.06502979     18.00473356    -16.42810742
  O     16.03592172     17.73554389    -14.20762631
  H     21.35190976     12.32424474    -18.14978357
  H     21.30856968     16.47686197    -15.02195736
  O     22.10734020     14.71213219    -14.89325436
  H     16.24542080     17.70475705    -15.15871952
  H     20.10113991     17.18375833    -14.37662859
  O     15.29749955     13.21943797    -13.97222096
  H     15.64972679     18.59229329    -14.04429207
  H     17.04647180     13.17333128    -13.24082465
  O     17.08793356     11.43944996    -16.62333526
  H     21.44883731     14.05093575    -14.62103782
  H     17.93876366     13.62254295    -12.07731311
  O     16.63204339     10.64265517    -13.94366747
  H     22.87810558     14.56771768    -14.34901698
  H     19.10127203      9.33748357    -15.03448950
  O     21.78997243     13.91552464    -17.63819715
  H     15.43791478     13.51959012    -14.88369964
  H     18.67247175      7.87123513    -14.86776998
  O     19.67152644     15.65287769    -18.07621155
  H     15.35441340     12.25816758    -13.97900311
  H     15.01137022     15.95061780    -19.24891109
  O     15.36878906     15.57528598    -12.45110757
  H     16.70021881     12.32306622    -16.68634320
  H     16.42678888     15.33756940    -19.11149483
  O     20.12417301     12.88352411    -14.35466377
  H     16.81924542     11.08921837    -15.76379568
  H     18.41306007     16.21068208    -12.69244020
  O     18.28452191     11.84630113    -19.21307146
  H     17.14252843     11.24154877    -13.38377536
  H     17.71493253     17.13459499    -13.71999159
  O     19.57745260     18.30809786    -17.21538442
  H     17.18567894      9.85418847    -14.04296560
  H     17.70759333     17.91103553    -17.00504536
  O     20.81946297     17.30788769    -15.01278949
  H     22.03698249     14.18410201    -16.74672558
  H     16.46580403     17.09086855    -17.46588795
  O     17.85916940     12.95064133    -12.76503197
  H     21.12355706     14.55576844    -17.92546008
  H     16.83498285     15.39673168    -11.53977347
  O     18.56935372      8.73971687    -14.48602600
  H     19.72473499     16.61051339    -17.97934098
  H     17.70904319     15.48892110    -10.26226133
  O     15.71445185     15.79375557    -18.62516629
  H     19.26733868     15.33158245    -17.25587016
  H     20.25475799     10.86857273    -16.85162209
  O     18.54028990     16.66722147    -13.53241503
  H     15.16661311     14.76846851    -12.94423605
  H     18.80848400     11.01328658    -16.30672371
  O     16.79711610     17.68512876    -16.78182047
  H     15.45871501     16.28272783    -13.10179531
  H     18.54200287     15.48184084    -14.97171073
  O     17.73778793     15.27307103    -11.18998750
  H     20.07099402     12.08722411    -14.90101026
  H     19.09526428     14.07828803    -15.31203830
  O     19.70883302     10.74522692    -16.06472971
  H     19.40023089     12.85022077    -13.71361663
  H     18.50935020     14.93860902    -19.31488649
  O     18.56180830     14.80383323    -15.65913535
  H     19.21557112     11.68617297    -19.01941709
  H     17.89741280     13.57022763    -19.68219639
  O     17.76748241     14.52423114    -19.77590505
  H     17.79822194     11.56699403    -18.42842356
  H     15.79438575     14.58335223    -17.21376957
  O     16.07034038     14.03038719    -16.47493084
  H     19.97110795     19.13446616    -17.48155020
  H     16.94291489     14.35333969    -16.19929565
          69
 Energy    -248.07490330613075     
  O     13.39338267      9.39035580     -9.61846402
  H     12.78119037      9.78903126     -9.00717314
  H     15.86465846      9.25928988    -15.67083001
  O     16.09489898      4.81010875    -12.53034409
  H     13.94640136     10.11171981     -9.97415832
  H     15.04612762      7.89839170    -12.56653987
  O     11.05410169      8.09992141    -15.12865194
  H     15.26043782      4.69945146    -12.05669710
  H     15.98589661      6.65697143    -12.72574936
  O     17.47367794      7.53220228     -9.65477917
  H     15.98517873      4.41829431    -13.40577984
  H     14.26254079      7.73512222     -9.56019775
  O     12.49532912      6.29066918    -13.39926626
  H     11.34246912      7.43211898    -14.49593325
  H     15.65897562      7.09011055     -9.68131301
  O     14.05172271     10.98785907    -13.57116248
  H     11.43463987      7.84012928    -15.97733388
  H     18.93043318      6.27935447    -12.34903816
  O     13.60180130      9.99756434    -17.05139554
  H     17.88641054      6.96278347    -10.32743625
  H     17.76579807      5.37080576    -11.88646066
  O     15.72487807      3.86985857    -15.16676470
  H     18.00770088      7.45307737     -8.86794287
  H     13.25449518      4.25626723    -10.57120302
  O     15.69547921      7.48696624    -15.68606516
  H     12.73476635      5.68214763    -12.69147047
  H     13.98836841      5.61644104    -10.61600665
  O     13.63849123      5.56263568    -15.82197295
  H     12.76234040      7.16462991    -13.06997298
  H     17.20559579      8.76869924    -13.22592762
  O     17.88698239      5.77037983    -15.67944961
  H     13.22376770     11.06220141    -14.06295911
  H     18.65506730      8.70240639    -13.71325773
  O     16.00311357     10.18961798    -15.43099994
  H     14.74670081     10.77902685    -14.21064668
  H     19.04292894      6.54170704    -14.60519978
  O     15.87149394      7.58669758    -12.95645253
  H     12.94197489     10.38776517    -16.46350484
  H     20.50078727      6.92619412    -14.26862472
  O     14.71361194      6.89562828     -9.71269287
  H     14.45806115     10.21970835    -16.66879129
  H     17.43212164      9.28486203    -10.43774902
  O     18.50514229      5.90560226    -11.56772976
  H     15.59119121      2.99541197    -15.52428765
  H     17.74513246     10.01464647    -11.75712040
  O     13.63516427      4.89423613    -11.16901177
  H     14.97436070      4.40950382    -15.46647226
  H     13.00386068      8.36932437    -17.39219552
  O     17.94611479      9.32533163    -13.51772950
  H     14.96759150      6.88424551    -15.86865913
  H     12.24039246      7.49393034    -18.40981078
  O     19.60039544      7.02368839    -13.96940341
  H     15.75899761      7.53017462    -14.71777021
  H     15.80216742     10.95387289    -10.81856495
  O     17.40227507     10.14941502    -10.86487803
  H     13.22170692      5.78224421    -14.97417462
  H     14.63708379     11.35854058    -11.75936463
  O     12.54950165      7.51585103    -17.50778417
  H     13.20593435      6.09851637    -16.49914184
  H     10.89134649     11.28488678    -15.12829928
  O     14.88167037     11.25969805    -10.83202322
  H     17.23318873      6.46537348    -15.84230601
  H     11.40789937      9.83181723    -15.00794242
  O     11.68690877     10.76167706    -15.07773432
  H     17.35737320      4.97847856    -15.54401635
  H     13.57870261      9.44968587    -12.76794640
  O     13.35150374      8.62522073    -12.31646315
  H     16.78901062     10.17064574    -14.87045887
  H     13.24558769      8.83598578    -11.38111719
          69
 Energy    -248.07477652882596     
  O     12.32289579      6.48322315    -15.27308124
  H     12.82389159      5.66645336    -15.38759668
  H     15.38951292     12.17563011    -13.95877019
  O     16.64559563      6.08173802    -12.66701926
  H     12.91815943      7.19187816    -15.54848843
  H     15.96066246      8.97468474    -11.31105897
  O     15.08507750      9.28880934     -9.74643964
  H     16.43428813      5.98138255    -13.60386311
  H     17.11556040      9.09645370    -12.36813872
  O     14.00604305      4.14696102    -15.22253507
  H     16.54107003      7.02454665    -12.47067596
  H     10.25562004      6.32295516    -12.87045310
  O     14.62658516      5.48455420    -10.87427516
  H     15.68181045      8.77565803     -9.18366456
  H     11.56441589      6.45686580    -13.68086818
  O     13.82450197      9.50954606    -13.22578345
  H     14.31438068      8.75032293     -9.96262197
  H     17.35712208      7.97550659     -7.48875956
  O     18.64825516      5.07631142    -11.11388632
  H     13.69296138      4.05217315    -14.30511169
  H     16.92788094      6.93089297     -8.54641668
  O     16.70669806      5.28286140     -9.01926401
  H     13.85936151      3.30701859    -15.64935353
  H     12.27258742      4.71580508    -12.68735271
  O     16.47660992     10.15316821    -16.33429574
  H     15.32009732      5.62350641    -11.53676899
  H     13.59043033      4.38087899    -11.98639576
  O     15.99914583      6.14517545    -15.31996458
  H     14.07116052      6.27484337    -10.90069676
  H     18.72420807     12.57836042    -11.93046429
  O     18.87058605      9.47064448    -12.68790008
  H     13.70939897     10.46187956    -13.12415129
  H     18.41746482     11.11375660    -12.31547734
  O     16.24548393     12.00065349    -14.36777212
  H     14.73895805      9.30417726    -12.96858693
  H     18.48460259      7.95112710     -9.78324775
  O     16.22518234      8.75934805    -12.21512186
  H     17.97238918      5.37875682    -11.74603312
  H     19.10403439      6.87060900    -10.68206702
  O     11.20554153      6.31602091    -12.78616592
  H     19.15781884      4.40212184    -11.55523806
  H     16.39195546     11.90813030    -11.06486685
  O     17.07591335      7.88179739     -8.39543416
  H     15.89254041      5.24138357     -9.54118093
  H     15.35335472     11.07557858    -10.25870015
  O     13.00338469      4.08520849    -12.69441780
  H     17.42190714      5.04938645     -9.62402601
  H     15.01359634      9.00513750    -16.05140032
  O     18.00956627     11.97392575    -12.11496448
  H     16.70264226     10.60536385    -17.14297069
  H     14.07922183      8.79531944    -14.84238755
  O     19.10554300      7.82032243    -10.50852244
  H     16.39579697     10.83645765    -15.64511232
  H     13.26061620      8.41292810    -11.87009691
  O     15.49422396     11.91835519    -10.70978372
  H     15.40977459      5.38288638    -15.39034305
  H     12.29620802      7.27640665    -11.54944125
  O     14.35639844      8.40193350    -15.68385212
  H     15.43874428      6.92379512    -15.45136809
  H     14.39236151     12.21477849    -12.01258153
  O     13.02173905      7.78843468    -11.16934608
  H     18.76967292      8.97252264    -13.51280063
  H     13.23452804     12.98780138    -12.69349098
  O     13.85993636     12.28147407    -12.82680404
  H     19.08545124      8.86585026    -11.96069635
  H     17.62748066      7.40247409    -15.16565081
  O     18.13628227      8.21057618    -15.04569329
  H     16.89259089     12.05750553    -13.65457185
  H     17.64722363      8.88926586    -15.52962013
          69
 Energy    -248.07475128713077     
  O     -0.94736040      5.08782292      2.53891133
  H     -1.75005640      4.60920942      2.29366226
  H      0.56416242      1.56847873      2.04282557
  O     -3.45177958      5.73654345     -0.44309859
  H     -0.34791224      5.03334272      1.77419443
  H     -0.76025870      3.85632258     -2.43220121
  O      4.46264449      6.38960774     -0.09733136
  H     -3.38641571      5.06231308      0.24540620
  H      0.36688815      2.86621572     -2.82690827
  O      2.21565674      7.32936527      1.10105869
  H     -3.95175924      5.32081904     -1.16223295
  H      0.71013763      8.03340184     -1.65896013
  O     -0.98128351      5.42398896     -1.71028403
  H      3.70300069      6.81111217      0.34244885
  H      0.14476544      6.77679496     -2.32329176
  O      2.30456135      2.71744388     -0.05405970
  H      5.15134363      7.04766652     -0.14730355
  H     -3.78189096      1.57831780     -2.46800606
  O      0.75576439      5.01664819      0.39881456
  H      1.59195147      7.97922190      0.75275552
  H     -3.26754676      1.48188573     -1.03109670
  O     -1.82236427      7.48139699      1.05360756
  H      1.97410355      7.13730595      2.02009497
  H      3.46838130      4.12037960      3.07362635
  O     -1.58512140      1.98920706     -0.22081952
  H     -1.85827377      5.58735973     -1.34291200
  H      3.63589686      3.97929953      4.60610145
  O     -3.04766994      3.62969587      1.41982589
  H     -0.37367506      5.32008626     -0.96124926
  H     -4.63228647      3.28568635     -1.87318079
  O      0.22326085      8.93560197      0.00190814
  H      2.30179810      2.66265807     -1.01802828
  H     -4.10971561      3.90047549     -3.14830682
  O      0.55574361      0.96377108      1.27769152
  H      1.75715783      2.00671573      0.30121866
  H     -2.05217093      2.54584274     -3.66206066
  O     -0.58328152      2.93370709     -2.67990604
  H      1.31922967      4.24591988      0.25943498
  H     -2.76848287      2.14172029     -4.96583827
  O      0.88352020      7.40005797     -2.36390486
  H      1.32637331      5.78141521      0.54787385
  H     -0.00091203      3.51087789      3.17597534
  O     -4.07874677      1.47785434     -1.55332284
  H     -1.57750322      6.82423566      1.71287226
  H      1.44568207      3.15666626      3.56012165
  O      2.99078619      4.13915422      3.92257145
  H     -2.48755290      7.05438464      0.49699868
  H      2.47843845      3.91123213     -2.71593861
  O     -4.58412215      4.13026059     -2.34353680
  H     -0.88192600      1.54888896      0.27150877
  H      2.80896959      2.62276220     -3.50839496
  O     -2.92463588      2.38944569     -4.05823899
  H     -1.20671763      2.29010297     -1.05808388
  H      0.49936529      6.08314709      3.43323593
  O      0.60584884      2.76957810      3.28010350
  H     -2.53501694      3.05206071      0.82907455
  H      1.95274918      5.71078379      3.78034246
  O      2.22758973      2.97563176     -2.84060451
  H     -3.80415978      3.12482016      1.70946445
  H      4.40853877      4.82926854      0.97165751
  O      1.37946384      6.45674578      3.55852151
  H      0.00797811      9.86316469      0.05203631
  H      3.62527068      3.50143126      0.93964298
  O      4.18283601      4.05646284      1.50257283
  H     -0.54249075      8.45266537      0.36032876
  H      2.25926391      6.22143721     -2.42595628
  O      2.92241231      5.51814984     -2.36321662
  H      0.68204601      0.08208315      1.61765111
  H      3.52932968      5.77846781     -1.66235887
          69
 Energy    -248.07464915166224     
  O     -9.98865445      0.87683665      5.58284437
  H     -9.05398155      1.05656133      5.38313802
  H     -3.13060248      0.92509137      2.61341024
  O     -5.60825805     -0.06924679      6.49498544
  H    -10.26497873      1.56672201      6.19651797
  H    -10.50165771      1.12380469      3.90378305
  O     -7.69348577     -2.12164414      3.72750660
  H     -6.08617189     -0.30241628      7.29827779
  H     -9.99985796      0.79959011      2.47658096
  O     -8.06639134      2.22943462      8.32782527
  H     -6.26152737      0.37506444      5.93147173
  H    -12.61478501      5.16439413      5.60213575
  O    -13.02270493      2.66217433      3.62998043
  H     -7.92617517     -3.02308984      3.51767695
  H    -11.22595937      5.74132174      5.28661326
  O     -7.40370186      1.49994093      5.00080680
  H     -8.06257644     -1.94386215      4.61005766
  H    -12.32432996      5.55893897      3.40076579
  O     -7.50930873     -0.43628137      8.51115490
  H     -8.94199342      2.54726902      8.07507213
  H    -12.84389403      5.82722584      1.96609928
  O    -10.51333245      3.13133211      7.15930902
  H     -7.43054673      2.76408875      7.83547083
  H     -5.58116697      1.71609394      2.52127204
  O    -13.17157683      3.43667540      6.24065671
  H    -12.31114727      2.08106963      3.32814394
  H     -6.62096453      2.85735687      2.26189917
  O     -6.82472190      5.74323609      4.73736393
  H    -12.92785634      3.47524426      3.12088549
  H     -7.79375623      0.57831868      1.93321040
  O     -9.83602396      3.94391055      2.66949370
  H     -7.12824310      1.59966886      4.08186887
  H     -8.25662453     -0.77930140      2.49909356
  O     -3.95030412      1.09959668      3.06780058
  H     -7.08797461      2.27038122      5.49279171
  H     -9.63817949      4.51414530      4.42416816
  O    -10.64070456      1.33326340      2.96761934
  H     -7.54870425     -0.69368238      9.42804313
  H     -8.62620649      5.33179109      5.25361927
  O    -12.16898602      5.87191604      5.11876573
  H     -7.73725595      0.51035889      8.47897479
  H     -8.34999051     -1.32572129      6.98960151
  O    -12.31537210      5.22723235      2.48459625
  H    -11.46348536      3.21465910      7.01043507
  H     -9.39469377     -0.82126474      5.99088553
  O     -6.51891113      1.90709899      2.37887741
  H    -10.09636785      3.77846665      6.57163387
  H     -5.08633813     -0.96587451      4.97181812
  O     -8.52314645     -0.05444414      1.91959986
  H    -14.01185099      3.18006344      6.61112237
  H     -5.88554905     -1.55549329      3.80492609
  O     -9.50567464      4.94162190      5.28222485
  H    -13.14515144      3.07964915      5.33479590
  H     -4.42872545      1.35494001      6.18708524
  O     -8.79658132     -1.56099877      6.16861575
  H     -6.87978443      5.40360057      3.83061321
  H     -3.92582351      1.93762110      4.86255872
  O     -5.02421778     -1.18399237      4.03071910
  H     -6.38298066      6.58810786      4.69176827
  H     -8.19640173      4.40671633      2.29383817
  O     -4.06895211      2.16132177      5.78876551
  H    -10.64977448      4.42598919      2.47359511
  H     -7.18866162      5.06226122      1.31878435
  O     -7.26389644      4.66780313      2.18457658
  H    -10.06724500      3.00561797      2.73942634
  H     -6.39747170      4.37751887      5.98198768
  O     -6.31040154      3.57390422      6.50523043
  H     -4.29377113      0.23540548      3.36356889
  H     -5.43854297      3.19404370      6.30945900
          69
 Energy    -248.07457352170331     
  O     17.44015977     11.60029127    -14.23806323
  H     16.66637008     12.12369002    -14.00039830
  H     12.19542175      6.40542283     -9.02097377
  O     15.58496059      6.32566083    -12.21418842
  H     17.74506275     11.19218264    -13.41498793
  H     14.15106172     12.06704390    -10.24857434
  O     11.62969936      9.15021346    -13.25456151
  H     14.62110183      6.37881768    -12.28984798
  H     15.69673415     12.08456352    -10.22393053
  O     12.79159547     11.18564980     -9.24953027
  H     15.91425797      6.11127297    -13.09595334
  H     15.04108047      9.09105572    -10.92034495
  O     19.54524912      7.84845091    -12.08688241
  H     12.41680344      9.65526277    -13.50351517
  H     15.58298751      8.12696900    -11.99949179
  O     12.98106715      6.55489091    -15.40060875
  H     11.18056604      8.87978364    -14.06726018
  H     17.52772737     10.41040439    -15.47101913
  O     16.27365010      6.02080878    -14.91343264
  H     12.30560686     11.68899648     -8.60168711
  H     17.95611669     10.05421193    -16.91512002
  O     14.07222819     10.30004036    -13.78869426
  H     12.13800056     10.65989977     -9.74531465
  H     17.96605761      6.85166629    -14.75230857
  O     16.88220697      8.61468182     -8.28306152
  H     19.26126391      7.69771814    -13.00641999
  H     18.39156943      8.27837137    -15.14037001
  O     14.28630886      8.82465255     -9.21796978
  H     20.49033255      7.72361365    -12.06854801
  H     11.32308382      8.60878697    -10.24510186
  O     17.57891468      6.88976423    -10.26467471
  H     12.96394122      6.42750741    -14.44294294
  H     11.18928127      9.45912217    -11.52004411
  O     12.33651433      6.97742436     -9.77080294
  H     13.65795691      7.22340288    -15.57106294
  H     12.44758369      7.56431200    -12.79496960
  O     14.92442712     12.41141883    -10.70767636
  H     15.85706708      6.87434473    -15.12286629
  H     12.60522665      6.62885499    -11.59038026
  O     15.45989748      9.06208793    -11.78861588
  H     15.78273187      5.36376493    -15.40293693
  H     11.42425319      7.47078295    -15.66300764
  O     17.57400819      9.68678121    -16.12288804
  H     14.55445287      9.89071084    -13.05244899
  H      9.94950994      7.64646790    -16.06257047
  O     18.65683168      7.51182975    -14.61708539
  H     14.30517045     11.23536975    -13.77462333
  H     17.09200395     10.43711847     -8.96049289
  O     11.12413302      9.49931488    -10.55465244
  H     17.16011913      7.99005577     -8.97747112
  H     17.59878724     11.02240489    -10.27975818
  O     12.84588593      6.72534091    -12.52064500
  H     17.31793443      8.34260624     -7.48002602
  H     14.70444705      9.10501169    -14.98856573
  O     10.66790056      8.07728430    -15.60710104
  H     15.13972558      8.79564523     -8.76588065
  H     15.92743341      8.86221459    -15.89245925
  O     17.13213420     11.25663586     -9.46487694
  H     13.88159558      9.69207690     -9.08343878
  H     14.76561660     13.78113624    -13.51560211
  O     15.12404906      8.44362147    -15.55680022
  H     18.30305359      7.15526738    -10.84570978
  H     15.01740239     12.74980997    -12.39041492
  O     15.04584382     12.88440057    -13.35618140
  H     16.88658715      6.54821044    -10.84477309
  H     18.62284196      9.47005587    -11.92700194
  O     18.00106390     10.20628142    -11.90297044
  H     13.07262511      7.56976450     -9.53799416
  H     17.11344603      9.81750471    -11.85877130
          69
 Energy    -248.07455631196291     
  O     10.86225380      8.14794545     -8.83406624
  H     10.72607387      9.01836851     -9.24572314
  H     10.49547038     10.62714867    -11.01826070
  O     13.71646229     10.61983786    -16.52084991
  H      9.99850427      7.80047555     -8.62805894
  H     12.00517488     13.75016407    -12.16121537
  O     12.91668754      7.77107313    -10.77966684
  H     14.06742517     10.90219188    -17.36143057
  H     12.77953696     12.73266842    -12.99817417
  O     14.77369727      9.50478661    -14.15579353
  H     13.10551910     11.31833788    -16.22592426
  H     16.97508421      9.79997094    -11.53842592
  O     13.38462179     11.48944135     -6.80472770
  H     13.23895871      8.68382498    -10.69757409
  H     16.36467239      9.76001193    -12.97379147
  O     11.83255831     12.42657305    -15.69061589
  H     12.19248063      7.69196134    -10.14632932
  H     12.47390764     15.37963399    -10.24775394
  O     12.25347224      8.62182045    -13.31697486
  H     14.57217078      9.82022943    -15.04744523
  H     12.29441365     13.90882623     -9.81719711
  O     15.08204064      7.65506561     -8.94410880
  H     13.96198458      9.08518270    -13.83532856
  H     17.51601218     13.28324493    -12.94620529
  O     13.56462245     10.48379109    -10.56460933
  H     13.67828761     11.82393080     -5.96059676
  H     17.00981594     11.92231782    -12.40730812
  O     13.16987827      8.64725953     -7.18788288
  H     14.16702833     11.46831059     -7.38402744
  H     10.01291181     10.73938864    -13.69290028
  O     15.42947869     13.68066830    -10.07251210
  H     11.00028453     11.93760823    -15.71467314
  H     10.92571088     11.67031247    -12.85692835
  O     10.84292060     10.56720076    -10.11893599
  H     11.84524300     12.87712494    -14.83732468
  H     15.49450778     12.23407759     -9.09150950
  O     11.92343957     13.19024531    -12.94067073
  H     11.68077760      9.37079153    -13.10393850
  H     16.07278481     10.77589418     -8.93294720
  O     17.03405152     10.18275676    -12.42298918
  H     12.42208469      8.15143544    -12.48987098
  H     15.11531571     12.34821375    -12.78602966
  O     12.66828123     14.48267406    -10.50958022
  H     14.51850706      7.97218457     -8.22237677
  H     14.44760374     11.08431389    -13.39311459
  O     16.83062835     12.88082787    -12.42028954
  H     14.46870140      7.42004326     -9.64936558
  H     10.21501807      9.90815893    -15.77144462
  O     10.47486481     10.81254129    -12.84932664
  H     13.81997435     10.99465320    -11.34234299
  H      8.80087265     10.48571365    -16.02522356
  O     15.39576164     11.38897943     -8.62365092
  H     14.15323396     10.74818870     -9.84796469
  H     16.35746206      8.69168588     -9.42593058
  O     14.27109475     11.89522382    -12.89730596
  H     13.15393670      9.58942128     -6.98421664
  H     17.86536206      9.02886065     -9.36379625
  O      9.60078438     10.62348379    -15.52592510
  H     12.33565032      8.45385647     -7.63237746
  H     11.16587619     12.09301082     -9.06654980
  O     17.02790666      9.34846200     -9.69005491
  H     14.54764906     13.97755207    -10.32745690
  H     12.17320775     12.40724493     -7.94165530
  O     11.63168487     12.81651039     -8.62766875
  H     15.93797648     13.54450051    -10.88145014
  H     12.30249554      9.28899959    -16.33974398
  O     11.54260444      8.78865798    -16.01858308
  H     11.80941154     10.58746966    -10.21474845
  H     11.77337768      8.52385184    -15.11647388
          69
 Ord_Energy   -248.074524    
 O   -7.68545771      -2.77706218      -1.55500722    
 H   -7.32193089      -1.88590682      -1.42202675    
 H   -7.56148767      -2.97786283      -2.47864318    
 O   -9.25925159      -1.54564691       4.66334772    
 H   -10.0814075      -1.21168792       4.28312588    
 H   -8.85074425     -0.807674170       5.13732004    
 O   -4.54570198      -1.99713731       4.59162855    
 H   -4.56330299      -2.14057255       3.63546205    
 H   -4.93591547      -2.79032207       4.97692156    
 O   -5.77485180      -4.95896673       2.54203701    
 H   -5.41475439      -4.14620447       2.16302252    
 H   -5.65304184      -4.87733412       3.49660563    
 O   -8.43117523      -5.37203169       2.20144892    
 H   -7.46444798      -5.26025248       2.25689554    
 H   -8.59273815      -6.30675077       2.10265398    
 O   -5.78509855       4.25592661       3.12003994    
 H   -5.58686543       5.12704802       2.78681946    
 H   -6.70489788       4.28057146       3.44050193    
 O   -8.29426670       4.18327618       4.15372896    
 H   -8.87005043       3.48790550       3.80989408    
 H   -8.19352436       3.99798083       5.09616756    
 O   -10.6389866     -0.805737615      0.834053159    
 H   -9.91660213     -0.195478514      0.661426961    
 H   -10.2722998      -1.69374716      0.708025694    
 O   -5.80079603      -4.43613768       5.36053991    
 H   -5.64775419      -5.00322104       6.11151457    
 H   -6.76609278      -4.35065079       5.26723385    
 O   -8.12552738      0.823676825       1.25204360    
 H   -7.93574142      -5.31140193E-02   1.62736213    
 H   -8.65845966       1.28807497       1.91195405    
 O   -5.56791496       1.68445206       2.05012345    
 H   -5.57260656       2.60270190       2.35092115    
 H   -6.46238756       1.47921610       1.74592710    
 O   -5.16202831       3.13041067       5.71500349    
 H   -5.09937525       2.19634628       5.46699381    
 H   -5.20085430       3.61303568       4.88102388    
 O   -8.02682972      0.779153466       5.53774595    
 H   -7.11313629      0.640561283       5.24350977    
 H   -8.01424980       1.55244184       6.11369324    
 O   -8.46828556      -4.23067236       4.87359333    
 H   -8.61048412      -4.59018755       3.99010038    
 H   -8.82941246      -3.33418512       4.87426090    
 O   -11.4684000     -0.312419385       3.36058760    
 H   -11.2589684     -0.528300226       2.43394303    
 H   -12.4135294     -0.390026182       3.45683360    
 O   -7.67278910      -1.63901579       2.34810495    
 H   -8.18549347      -2.20534325       1.75303316    
 H   -8.12519550      -1.64321864       3.20044708    
 O   -6.72803402     -0.255140901      -1.01224697    
 H   -7.26895380      0.253025979     -0.396659493    
 H   -5.82585430     -0.202007294     -0.673633456    
 O   -5.04055309      -2.33294606       1.85030127    
 H   -5.95776463      -2.07332063       2.03165674    
 H   -4.67131519      -1.65480912       1.27575934    
 O   -7.64888811       3.27820897       6.79884195    
 H   -7.66488123       3.64455485       7.67850018    
 H   -6.71683264       3.26728773       6.51352262    
 O   -5.44034433      0.560775220       4.65583658    
 H   -5.42107487      0.840323329       3.73282003    
 H   -5.07633018     -0.335655779       4.70830154    
 O   -9.21589088      -3.18726921      0.656952620    
 H   -9.03043079      -4.02044010       1.10796034    
 H   -8.69493675      -3.15520716     -0.161364943    
 O   -9.55948830       1.77864325       3.42783093    
 H   -10.3445320       1.21841049       3.42114329    
 H   -9.00034428       1.44114447       4.14459133    
 O   -4.22920084      -3.26524004E-02  0.370237768    
 H   -4.58400249      0.634711564      0.981321871    
 H   -3.35759854      0.260612726      0.116724059    
          69
 Energy    -248.07448374694530     
  O     18.07345709      9.18012336    -10.54311061
  H     17.80287184      8.31459402    -10.21211317
  H     17.55279187     12.62453940    -10.22319446
  O     14.04236934      9.33136030    -10.25199584
  H     17.30341463      9.61040302    -10.93570243
  H     18.92786410     10.04175651     -9.21940213
  O     18.64152858      4.06235501    -11.86048034
  H     14.55008146      9.57361553     -9.45503646
  H     20.23783667     10.83945853     -8.92309253
  O     21.40425289      7.46078934    -12.03269968
  H     13.13147479      9.54466459    -10.06934116
  H     20.01673369     10.53331756    -12.59701930
  O     15.52479158     10.09323974     -8.16449625
  H     18.62250899      3.12488019    -12.03912313
  H     19.20068305      9.41862752    -11.89681301
  O     23.03370942      8.72804270    -10.10393254
  H     17.73043880      4.32745446    -11.65926317
  H     19.43394800      5.20192319    -13.22172251
  O     17.09508675      8.08976599     -7.08119522
  H     20.87134218      8.21632025    -12.32270876
  H     20.53114134      6.27952109    -13.30955546
  O     21.59949485      7.30152473     -8.29427564
  H     22.09770658      7.83585391    -11.47675751
  H     15.93018188      9.99049537    -12.72132136
  O     19.84599067      8.72743179     -6.54570482
  H     16.04805359      9.41409059     -7.71290660
  H     15.23172955     10.22901503    -11.35953088
  O     17.59403603      6.67509452     -9.44194619
  H     16.06361359     10.89047500     -8.19256057
  H     16.68245768      8.45090359    -14.24699403
  O     17.34939132     12.32597894     -8.33692740
  H     22.56236761      8.24567616     -9.40022030
  H     15.34430905      8.84169926    -14.91855224
  O     17.72071771     12.58960741    -11.17219912
  H     23.96513155      8.63643053     -9.92014360
  H     22.16890315     10.44874433    -10.04667172
  O     19.40132620     10.54024355     -8.53650345
  H     17.20879055      7.50552292     -7.84380798
  H     21.32848608     11.61000698    -10.66065485
  O     19.78432820      9.59983263    -12.65000294
  H     17.98503859      8.23695559     -6.74271514
  H     14.57683886      7.82514592    -11.27157339
  O     19.85073187      5.82725645    -13.82484915
  H     21.08252689      6.65999326     -8.79843531
  H     15.17658051      7.62474006    -12.68077334
  O     15.98449208     10.49932381    -11.90175578
  H     21.00207967      7.69622605     -7.64818525
  H     18.84214319      8.69954756    -13.95296144
  O     15.76320957      8.72556019    -14.07057013
  H     19.70245492      9.42496302     -7.20943548
  H     18.77243466      7.22040142    -14.36456186
  O     21.67202103     11.24845649     -9.83399444
  H     20.18074575      9.15710646     -5.76224472
  H     19.35943440     12.44915614    -11.76270994
  O     14.90715762      7.15451075    -11.88168534
  H     18.50269967      6.38962125     -9.61643486
  H     20.47627878     13.05397156    -12.64425249
  O     18.31423248      8.06626288    -14.45735473
  H     17.01499315      6.06842900     -9.91469960
  H     15.64887059      5.68883446    -11.43820960
  O     20.26183611     12.30168443    -12.09930990
  H     17.48022010     12.98743430     -7.66206496
  H     15.40063366      4.34664499    -10.71323514
  O     16.08867392      4.89427543    -11.08290472
  H     18.12855931     11.74355396     -8.31490088
  H     20.53982286      6.40049545    -10.83796087
  O     20.11276397      5.81826518    -10.19119234
  H     17.07358855     11.96554189    -11.52752190
  H     19.73516995      5.08670826    -10.69381390
          69
 Energy    -248.07443922834727     
  O     17.98366845      9.95922262    -10.56705482
  H     18.62416069      9.23438479    -10.60164445
  H     13.45551791      9.60804746    -10.19484384
  O     13.96079551      5.65902967     -8.12685932
  H     18.20323164     10.53061081     -9.82002861
  H     13.86391835      9.61897842     -7.53144196
  O     18.40745108     11.53002585     -8.28098909
  H     13.18943839      5.97682555     -8.61154859
  H     14.43502601      8.79912428     -6.35247113
  O     12.01823994      6.83589023     -9.82105762
  H     14.63808420      5.53363983     -8.80487846
  H     18.33695407      4.67545837    -11.91016222
  O     16.15131441     10.21283394    -12.63723205
  H     18.77288354     12.41103121     -8.28398562
  H     18.42081760      3.66832630    -13.07970739
  O     19.63322408      7.70937629    -10.65775079
  H     17.60555110     11.56143830     -7.72881892
  H     15.65563239      5.92507379    -11.17715299
  O     21.27394547      7.76831879     -8.38352709
  H     11.08613160      6.67137593     -9.93516972
  H     15.91639586      6.75780440     -9.89899631
  O     18.44560230      5.15992055    -10.22844171
  H     12.41254962      6.83901285    -10.71189750
  H     19.02104448      6.21578017    -13.31598864
  O     13.16992301      7.12894690    -12.26540766
  H     16.45986254      9.58533676    -13.30252033
  H     19.54144405      7.43041148    -12.51976158
  O     16.23680685     11.59996916     -6.66874717
  H     16.82934358     10.22963863    -11.94840078
  H     17.09895467      8.30487437    -15.36706388
  O     13.56023634      9.95940910    -12.01408793
  H     20.30497838      7.76985258     -9.96647067
  H     17.88020331      7.90556781    -14.09249649
  O     13.44936578      9.22321092     -9.30867047
  H     19.17427170      6.87106224    -10.51000546
  H     15.23545193      8.73366963     -9.23015027
  O     14.28344991      9.69909338     -6.66482305
  H     20.71928417      8.35641294     -7.83810569
  H     16.69309333      8.97599732     -9.76455250
  O     18.16320589      4.56014400    -12.86144575
  H     22.17295513      7.88457325     -8.09015466
  H     18.78173190      8.70952406     -6.80912735
  O     15.80659747      5.85101122    -10.22760432
  H     17.49451545      5.32375948    -10.13914913
  H     19.21277456     10.08865017     -7.35628040
  O     19.27523617      7.14340009    -13.40310552
  H     18.82084116      5.16951774     -9.33631176
  H     14.48828399      6.47228791     -6.67423859
  O     17.01751756      8.21701265    -14.42101495
  H     13.32224226      8.08272188    -12.28968311
  H     14.47571547      6.51475087     -5.12972401
  O     16.12984205      8.37268114     -9.26431147
  H     13.95936147      6.71214826    -12.62920054
  H     20.13769826      6.26159010     -7.86089193
  O     19.55115590      9.27484697     -6.96602965
  H     16.05320172     12.12711859     -5.89530951
  H     18.67733500      6.21769327     -7.37431569
  O     14.79939378      6.97437791     -5.89973156
  H     15.55637748     10.90628110     -6.67600216
  H     16.98956590      7.84421909     -7.76600881
  O     19.38951514      5.66748309     -7.72961041
  H     14.50034661     10.09016223    -12.23509605
  H     16.61037683      7.27727102     -6.39567675
  O     17.37033116      7.50571320     -6.94214106
  H     13.07312749     10.63300890    -12.48078954
  H     16.45038888      5.44593712    -13.07391241
  O     15.73211032      6.09072195    -13.04740307
  H     12.90930857      8.42434843     -9.36889607
  H     16.07109180      6.86436372    -13.51708081
          69
 Energy    -248.07440220299168     
  O     17.09241258      8.37129340    -10.04591968
  H     17.75314970      8.67961177     -9.43111503
  H     15.34332488      4.24093230    -13.25272038
  O     11.04275046      9.16404031    -12.58310510
  H     16.54965486      7.71895092     -9.56598038
  H     13.65851372      7.64106279    -13.73765240
  O     12.16636499      3.68314842    -12.67251932
  H     11.48416342      8.99267751    -13.42764978
  H     15.18658474      7.53593783    -13.45013120
  O     14.28137889      5.43103272    -16.38293033
  H     10.51455840      8.38093801    -12.39342411
  H     16.01675871      9.59192664    -11.02091015
  O      9.63147778      6.71274949    -11.99801087
  H     11.95631336      4.40502451    -12.06222025
  H     14.60397556     10.19483433    -11.26902405
  O     12.77521841     10.08839484    -10.73533666
  H     13.01213919      3.90692853    -13.09065475
  H     12.42132807      1.99388293     -9.80464362
  O     16.80908361      3.95573632    -12.17741304
  H     14.40233978      4.98926509    -15.53236691
  H     12.58529909      2.88951672    -11.05100985
  O     16.00779987      7.44363684    -16.87835939
  H     13.34513494      5.65739382    -16.44401550
  H     13.80075171      7.30751601    -11.45561708
  O     11.56552909      6.27891591    -16.40966783
  H     10.23955609      6.25421754    -11.39408477
  H     13.15560729      8.30872788    -10.46725431
  O     14.49358984      9.76428168    -16.11294410
  H      8.77119206      6.69464249    -11.58481566
  H     10.90032451      4.47821936    -13.84441198
  O     12.46575472      8.44604947    -14.84899360
  H     12.13027792      9.82932026    -11.41911169
  H     10.01468931      5.71392004    -13.58572238
  O     14.55397779      4.54396631    -13.71853681
  H     12.35656238     10.75699017    -10.20042208
  H     11.88463659      4.64448082    -10.06037583
  O     14.31823927      7.22517818    -13.16568712
  H     17.16666669      4.86134769    -12.12357399
  H     12.22680503      6.11241684    -10.46285098
  O     15.52141992     10.21787212    -11.56403852
  H     17.55467945      3.37587596    -12.30782188
  H     14.55643443      3.48853903     -9.78976070
  O     12.75700238      2.83804733    -10.09688690
  H     15.39100873      6.70299267    -16.73633451
  H     15.87020776      3.84910850    -10.52043008
  O     13.41845382      7.38608404    -10.56842399
  H     16.48095580      7.25570489    -17.68412619
  H     16.79983482     11.52364505    -14.09870978
  O     10.35386225      5.14174605    -14.28452316
  H     11.09232753      5.84165948    -15.67925662
  H     15.97817590     10.59872205    -13.17005406
  O     11.54652399      5.42183413    -10.51647433
  H     10.97829711      6.27391440    -17.16084255
  H     15.53774003      5.60819100     -9.05243828
  O     15.42071812      3.89623272     -9.66760045
  H     15.01203666      9.03875052    -16.48367418
  H     14.70005905      6.85434999     -9.38246323
  O     16.28270157     10.72309394    -14.08795334
  H     15.06259753     10.19466337    -15.46223689
  H     17.53688150      6.98957926    -12.91238690
  O     15.48216101      6.56111460     -8.89487492
  H     13.09982301      8.99062565    -15.33973572
  H     17.56660796      7.10395125    -11.37757000
  O     17.72179257      6.49037152    -12.10496420
  H     12.12872508      7.76912012    -15.44749496
  H     16.77221996      8.94720415    -14.20846116
  O     16.82496681      7.98378862    -14.25865236
  H     14.45174500      5.48424280    -13.50318733
  H     16.64530485      7.74124390    -15.17626651
          69
 Energy    -248.07440184521465     
  O     15.72942586      6.45723559    -13.72717186
  H     15.00206312      6.49682231    -13.09097789
  H     20.84834175      7.81031560    -14.49368733
  O     17.76446025      9.50559590    -10.84908096
  H     16.55394923      6.58401816    -13.23647271
  H     15.02906326     11.54489852    -16.01515528
  O     17.98790939     11.73554004    -14.97532249
  H     17.00720623     10.01237862    -11.17698682
  H     16.24046186     12.14631932    -15.25155904
  O     12.69698694      7.82566410    -16.52802986
  H     17.56947207      9.22966346     -9.94577631
  H     15.33712923      9.40985967    -15.09325324
  O     14.41705206      7.98372789     -8.49805435
  H     18.18051956     10.97131428    -15.52975699
  H     15.71562071      8.21339597    -14.15698277
  O     13.64224415      6.82632757    -11.91837274
  H     18.46384130     11.54951583    -14.15377762
  H     11.07304444     11.16516144    -12.64447904
  O     15.61623182     10.70199494    -12.07067267
  H     11.89829401      7.58660241    -16.99015713
  H     12.57755078     11.40727929    -12.88984610
  O     16.58527503      8.08158720    -17.95441054
  H     12.45928412      7.92151454    -15.58789306
  H     17.53200048      6.20375994    -10.74776185
  O     14.49732481      5.36377850     -9.69985659
  H     14.02524465      8.53645279     -9.18785384
  H     17.26317849      6.71353048     -9.31869606
  O     18.17451819      9.01064339    -15.84000254
  H     14.31232859      7.07108933     -8.79410623
  H     12.06499549      9.02093191    -13.53134098
  O     15.14886202      6.34047086    -16.47027238
  H     13.82483187      6.20595672    -11.20139224
  H     12.56306658      7.57900444    -13.26051675
  O     20.02782618      8.06476557    -14.08001389
  H     13.65627999      7.70730692    -11.51760597
  H     18.96876798     10.35915668    -12.03068986
  O     15.28878564     12.24789696    -15.40869841
  H     15.74888940     10.18850996    -12.88499752
  H     19.81009729      9.84903365    -13.20016811
  O     15.83282283      9.16104492    -14.30326093
  H     15.15267370     11.50374852    -12.33186124
  H     17.90838592      7.96744130    -11.81798267
  O     11.92159358     10.72845369    -12.66398604
  H     16.72836173      7.74914099    -18.83589133
  H     18.78796949      7.29282479    -12.88811280
  O     17.13505984      5.95582174     -9.90288764
  H     16.12338639      7.38090551    -17.45736792
  H     17.37998074      8.56341383     -7.46427424
  O     12.14239543      8.14296911    -13.92199171
  H     14.37364278      4.49078002     -9.33802434
  H     16.12912978      8.29556993     -8.33595535
  O     19.44991663     10.65489723    -12.81390957
  H     15.45830446      5.49601799     -9.79528099
  H     12.83366312      9.80818275    -11.23697083
  O     18.03558124      7.13899550    -12.30450591
  H     17.44856631      9.12473072    -15.20735768
  H     14.36290317      9.80638171    -11.14532382
  O     17.09856355      8.38383118     -8.35722894
  H     17.77183859      8.67995393    -16.65113794
  H     14.35252234     12.53610830    -14.03253619
  O     13.57018232      9.38098651    -10.78598433
  H     14.26147642      6.72051753    -16.48576331
  H     13.88944436     13.59087050    -12.99997654
  O     13.87124114     12.65723576    -13.19177699
  H     15.38208799      6.23041612    -15.53832474
  H     13.88974797      9.24094849    -16.76678921
  O     14.65570187      9.83020591    -16.78452891
  H     19.43695690      8.36923407    -14.79086269
  H     15.32850746      9.37667309    -17.30871160
          69
 Energy    -248.07436017377017     
  O     13.19136996     11.65957784    -14.40603466
  H     13.90340146     11.38759765    -14.99760561
  H     15.69820262      5.31076565    -14.81889849
  O     13.81306392      6.10999172    -17.13702117
  H     13.53590449     11.53910360    -13.51029014
  H     15.76463931      7.33068006     -9.74111513
  O     13.77056886      6.02554481    -11.73128968
  H     13.55011236      7.04421940    -17.05067228
  H     15.23310299      6.28155812    -10.74476099
  O     18.18301732      4.90277410    -10.49593292
  H     13.55904542      5.83385531    -18.01358959
  H     14.12337836      9.19022686    -12.69942521
  O     12.50598396      4.90000297    -14.84231522
  H     12.84406663      5.77227998    -11.80811007
  H     14.83982664      8.32984523    -13.76803360
  O     13.12472140      8.68247632    -16.79424666
  H     13.85897043      6.86084393    -12.21930734
  H     15.86141727     10.95827016    -16.66262060
  O     15.11174290      8.85587631     -9.08027808
  H     18.46868458      4.61169166     -9.63370515
  H     15.73619670      9.82140553    -15.62460695
  O     19.42564924      6.46069302    -12.55437386
  H     17.41658679      5.48430952    -10.35456405
  H     11.53630588      5.36502612    -13.43949267
  O     11.76485315      9.28184677    -14.39654309
  H     12.80229388      5.33149716    -15.65032663
  H     10.46775240      4.88222405    -12.43508975
  O     17.38399675      3.37205217    -12.76513416
  H     13.30301830      4.50609940    -14.46040542
  H     10.90557606      7.37978957    -12.07448538
  O     18.62665889      4.94031628    -14.85477228
  H     13.81649434      9.34623873    -16.68996538
  H     11.00240993      8.75313566    -12.75355247
  O     16.08944789      5.83528553    -15.53495081
  H     12.48414199      8.85999560    -16.09332160
  H     15.71907455      3.84417328    -13.23355367
  O     16.03958809      6.60310528    -10.31799742
  H     14.19781927      9.02670492     -9.34074569
  H     14.58345219      4.85128648    -12.85654051
  O     14.09854231      8.33584335    -13.15178510
  H     15.64556331      9.54011437     -9.50146459
  H     11.92482840      9.08512631    -10.65700585
  O     15.23408177     10.49423287    -16.11348847
  H     19.15818385      5.87846484    -11.83080106
  H     11.86621168      9.96166324     -9.39038294
  O     11.13231524      5.55208824    -12.57333712
  H     19.25109088      5.97209679    -13.36840237
  H     16.86069053      8.44054426    -13.82740204
  O     10.93099142      8.32595206    -11.88922675
  H     12.51373415      8.79586890    -14.01865555
  H     16.38712435      7.55344826    -15.02555913
  O     14.93381045      4.29918981    -13.56899729
  H     12.06027807     10.20448486    -14.43431714
  H     13.54164430     10.54303376    -11.18459718
  O     12.47175497      9.57856908    -10.02063544
  H     17.67127349      3.79135978    -11.94424187
  H     15.03435372     10.87354880    -11.49850711
  O     16.42631724      8.46050503    -14.69145737
  H     17.91424649      3.77202182    -13.46508762
  H     17.07396742      9.81660579    -11.27716663
  O     14.14834610     10.83256401    -11.87984738
  H     19.12841207      4.63138052    -15.60551275
  H     17.45319158     11.13789079    -10.56886930
  O     16.71612198     10.56967609    -10.77736041
  H     17.77935246      5.26281224    -15.20158612
  H     16.89352124      7.71418089    -11.55342668
  O     17.45488210      8.27766986    -12.10347983
  H     15.39989864      5.92010049    -16.20570451
  H     18.25779736      7.76542963    -12.28199426
          69
 Ord_Energy   -248.074356    
 O   -5.27119589      -2.61584640      -3.26021981    
 H   -4.37736654      -2.29066277      -3.47491145    
 H   -5.77918816      -2.57789898      -4.06669712    
 O  -0.343811750      0.184662819      -1.26944685    
 H  -0.960637450      0.459841371     -0.574588656    
 H   0.459645092      -8.47932696E-02 -0.801936448    
 O   -5.61384010     -0.463409781      -1.38854218    
 H   -5.61535454      -1.17092788      -2.04003119    
 H   -4.99264193     -0.731917858     -0.692446649    
 O   -1.91580260       1.00134182      -3.36862159    
 H   -1.28233171      0.776688993      -2.66629004    
 H   -1.44633579       1.54837513      -3.99408412    
 O    1.31814551      -3.66987872     -0.473198205    
 H    1.94827497      -4.38490868     -0.444340110    
 H   0.700285435      -3.80904961      0.265564650    
 O  -0.576120615      -1.08974338       2.41249990    
 H   -1.01366544     -0.378360510       1.92353439    
 H   -1.13699985      -1.25953829       3.18042159    
 O  -0.656585336      -2.47400570      -2.13108802    
 H    8.56855735E-02  -2.95103741      -1.74036133    
 H  -0.568336785      -1.55359173      -1.84236014    
 O   -3.65865493       2.98603749      0.548280299    
 H   -3.88770103       2.66426277     -0.342644393    
 H   -3.63276958       3.93760443      0.500672638    
 O   -5.47383547      -4.15889263       1.50703311    
 H   -4.63298988      -4.22983456       1.98312378    
 H   -5.29976225      -4.33621836      0.578488827    
 O   -5.46634960       1.58838499       2.29991317    
 H   -6.18090391       1.23465621       1.74775207    
 H   -4.90725946       2.12390971       1.72766054    
 O  -0.615712941      -3.73714399       1.46561301    
 H  -0.566322505      -2.83971429       1.82636499    
 H   -1.34451425      -3.72920585      0.823662341    
 O   -2.56936121      -3.49847126     -0.415089965    
 H   -1.99560463      -3.16143227      -1.11716568    
 H   -3.29590726      -3.99181032     -0.812227428    
 O   -4.19623852       1.90908420      -1.87437367    
 H   -3.45596290       1.63945889      -2.42939258    
 H   -4.76747990       1.13397932      -1.78399789    
 O   -7.12450981      -2.23832989       2.42502952    
 H   -7.84998560      -2.63758802       2.89748716    
 H   -6.58628941      -2.96807122       2.06834579    
 O   -4.93195820      -4.60886097      -1.35697854    
 H   -5.19097376      -5.44895315      -1.72871256    
 H   -5.13080978      -3.93338585      -2.02485704    
 O    1.53224111     -0.920706451      0.408684015    
 H   0.990508437     -0.952538252       1.20769417    
 H    1.63937914      -1.83658946      0.125821844    
 O   -1.99082720      0.759966254      0.844378948    
 H   -2.67316937       8.33453611E-02  0.710666716    
 H   -2.44757080       1.60898542      0.855359972    
 O   -4.80937386     -0.867827833       3.19729471    
 H   -5.63969326      -1.34844661       3.09338427    
 H   -4.98645878       6.19250387E-02   2.97787762    
 O   -2.79569364      -1.67852032      -3.77139163    
 H   -2.02227473      -2.09740257      -3.37289810    
 H   -2.60862947     -0.732020915      -3.74548697    
 O   -3.83873129      -1.22173560      0.568702102    
 H   -3.42543101      -2.07001591      0.366181493    
 H   -4.19028425      -1.24624562       1.46740651    
 O   -3.06780410      -4.14231586       2.95402622    
 H   -2.20199156      -4.26529789       2.55021000    
 H   -2.94895434      -3.39191222       3.54857993    
 O   -7.32198429      0.156775609      0.790027499    
 H   -7.35567999     -0.674942434       1.27800965    
 H   -6.88273430      -4.25049588E-02  -4.68281582E-02
 O   -2.52777147      -1.69622374       4.38233423    
 H   -3.35650063      -1.33986390       4.01483297    
 H   -2.55669546      -1.54214919       5.32310057    
          69
 Energy    -248.07426159592632     
  O     14.20097676      2.84437567    -10.90106829
  H     14.30788634      1.90761427    -10.69401781
  H     14.19520639     10.61733176    -10.04178211
  O     12.20713948      3.05068467    -12.85737524
  H     13.52884144      2.89406051    -11.59696007
  H     14.20133454      6.97067418    -12.52122768
  O     16.68025492      3.25754607    -12.20244863
  H     11.60866532      3.68345445    -12.44291735
  H     14.10206150      5.79232687    -11.51867380
  O     11.36950566      7.12927684    -13.49946043
  H     12.67609961      3.53914913    -13.55055549
  H     12.32394536      5.27871788    -10.44671836
  O     13.18720288      0.43673408    -13.31686818
  H     17.02852248      4.15086751    -12.10508214
  H     13.54571345      4.37484869    -10.10983555
  O     14.57759299      0.06712825    -10.81802335
  H     15.84410790      3.21697566    -11.71682306
  H     15.30543247     -0.33178292    -15.57265344
  O     17.27148583      8.79182972    -13.30991626
  H     11.62240504      6.96906579    -14.41536977
  H     14.54865141      0.37738960    -14.42389264
  O     17.16218798      9.72208607    -10.72325663
  H     12.01361464      7.77899643    -13.18321284
  H      9.94350405      5.31098040    -11.37027607
  O     13.75335732      4.57628570    -14.54431372
  H     13.51679152      0.20756118    -12.43910836
  H     11.01219629      5.90848107    -12.31397944
  O     15.15900044      7.99972973    -15.10094275
  H     12.69622978      1.26192370    -13.21173119
  H     16.28756816      6.08616468    -12.27779305
  O     16.90957424      5.82366831    -15.07568843
  H     15.40875435      0.11082138    -11.32484474
  H     17.49245686      6.35760829    -11.33366166
  O     14.48399266      9.81011937    -10.45898222
  H     14.66808132     -0.65024945    -10.19726598
  H     16.30825172      3.14543879    -13.99037096
  O     14.51544165      6.07386394    -12.34334771
  H     16.64576969      8.72473001    -14.03977637
  H     15.85917896      2.16886595    -15.09807283
  O     13.18880396      5.27019416    -10.01601340
  H     17.41420199      7.88471499    -13.01614990
  H     16.94371969      1.37857835    -12.30019446
  O     15.37839499      0.37220578    -14.93391528
  H     17.46565913      8.92047906    -10.28256111
  H     16.43987503      0.32567645    -13.30727678
  O     10.85421710      5.22321205    -11.63957581
  H     17.26391526      9.55375480    -11.67316134
  H     13.08590565      5.85265006    -15.58096057
  O     17.25710340      6.04659162    -12.21810366
  H     14.03990806      5.12558014    -13.79779894
  H     12.48112207      6.43044962    -16.88173197
  O     16.04369920      3.09919192    -14.92151664
  H     14.51115102      4.03242926    -14.79692549
  H     14.61992678      8.12633290     -9.50055047
  O     16.75392394      0.43592964    -12.40110134
  H     15.76169760      7.24220254    -15.17047580
  H     14.25190777      6.63319698     -9.28339225
  O     12.73983531      6.66305038    -15.99345903
  H     14.34188897      7.71635107    -15.52639015
  H     16.62349855      7.10274073     -9.38256868
  O     14.91906690      7.30448414     -9.09295579
  H     16.70818354      4.89586616    -15.24602975
  H     18.05406526      6.83632017     -8.85242059
  O     17.56333460      7.06206026     -9.63800878
  H     17.27424472      5.84403052    -14.18304152
  H     13.94124109      9.14236210    -12.08715758
  O     13.59461691      8.64101151    -12.83599639
  H     15.45434295      9.86277741    -10.53368237
  H     14.22221719      8.67277616    -13.57050147
          69
 Ord_Energy   -248.074219    
 O   -5.73736143       8.19469833       1.74570537    
 H   -4.80646372       7.92544031       1.72580290    
 H   -5.78536797       8.90151215       2.39977479    
 O   -2.60529923       8.81629562      -1.31676733    
 H   -2.15071988       9.48787880      -1.84322214    
 H   -2.68828726       9.22175026     -0.444501251    
 O   -3.13890910       7.28647423       2.07545376    
 H   -3.28180695       6.34298563       1.90499663    
 H   -3.26290703       7.44205809       3.02314973    
 O   -1.05277538       11.0122461      -2.07383323    
 H  -0.760832191       11.6535358      -2.71472883    
 H  -0.252213538       10.5819330      -1.72132099    
 O   -2.31340885       4.98294449     -0.951827466    
 H   -2.98423600       5.46963930      -1.44603467    
 H   -1.51882505       5.52935696     -0.985361099    
 O  -0.395224869       7.21206474       1.92493951    
 H  -0.154622376       6.68289232       2.69411969    
 H   -1.36087441       7.29665995       1.94401944    
 O   -6.32528210       6.46007681     -0.398920238    
 H   -5.62939310       6.59052849      -1.05511796    
 H   -6.24104977       7.17749739      0.243372664    
 O   -3.43022490       4.57540607       1.51375186    
 H   -4.34874058       4.33161831       1.34903407    
 H   -2.98216367       4.61267662      0.654887617    
 O   0.265455723       9.89194584       1.83032370    
 H   0.128936157       10.2775326       2.70441794    
 H   0.111679040       8.93945885       1.92227590    
 O   -1.01448214       8.30929184       5.32636166    
 H  -0.610367835       7.47272539       5.07059097    
 H   -1.96902430       8.18229675       5.22630024    
 O   -2.09989905       10.7739019      0.636696041    
 H   -1.27646053       10.4656982       1.04497743    
 H   -1.84893930       11.1288586     -0.222933784    
 O  -0.353057653       7.08031845     -0.844003558    
 H  -0.261929572       7.02850914      0.119793102    
 H   -1.12632251       7.63648939      -1.01023281    
 O   -6.17678833       4.15274096      0.985582173    
 H   -6.67629433       3.44985032      0.580356717    
 H   -6.28324938       4.94064093      0.420655906    
 O   -4.89023876       5.44449854       5.37742805    
 H   -5.39098549       5.07449293       6.09889078    
 H   -5.50337601       5.54019642       4.62534380    
 O   0.971542180       9.63503551     -0.900386751    
 H   0.741749763       8.70196533     -0.995273948    
 H   0.923899770       9.81826973       4.77949493E-02
 O   -4.18170691       6.77319145      -2.21932983    
 H   -3.66443992       7.54011202      -1.92060816    
 H   -4.27603674       6.85676193      -3.16536474    
 O   -2.47110009       4.50243902       4.12971973    
 H   -3.26198816       4.73490334       4.62870789    
 H   -2.75809169       4.39039183       3.21227789    
 O   -6.45840788       5.84383392       3.23012900    
 H   -6.31715822       6.68249130       2.77381778    
 H   -6.46915102       5.16913080       2.53988624    
 O   -5.38725567       9.98033619       3.92228484    
 H   -5.96253061       10.5990114       4.36316347    
 H   -4.58788013       10.4749727       3.66005182    
 O   -3.69674730       7.88502073       4.76916122    
 H   -4.14691830       7.09464884       5.09459400    
 H   -4.35641193       8.57061958       4.60527754    
 O   -3.11358500       11.2022800       3.19185328    
 H   -2.88825822       11.1303616       2.25396991    
 H   -2.27860618       11.1274967       3.66797781    
 O  -0.100549862       5.78769255       4.32162380    
 H   0.557951808       5.18347836       4.65308762    
 H  -0.940544486       5.29469347       4.28679943    
 O  -0.525237083       10.7790461       4.37880516    
 H  -0.659515977       9.89165401       4.75974941    
 H  -0.103509240       11.3065491       5.05150127    
          69
 Energy    -248.07413227115376     
  O     -1.21383892      3.66989134      2.49395289
  H     -0.56441006      2.97812241      2.31611904
  H     -0.66518170      8.34829805      0.77719870
  O     -2.87916580      5.88512429     -0.71365764
  H     -1.97449789      3.50434450      1.91803458
  H      1.45694428      2.30321514      1.00926426
  O      4.47885910      6.84565872      1.33058280
  H     -2.00141089      5.86372481     -1.12596423
  H      0.11636819      1.57590328      0.91621928
  O      1.89116113      7.30509537      2.29712642
  H     -2.81271635      6.50984551      0.01892560
  H      0.05794481      4.03814039     -2.11492473
  O     -0.30847854      5.74277709     -1.61133766
  H      4.17171674      6.68695766      0.41915956
  H     -0.20144504      2.58094901     -1.61655196
  O      2.32809195      3.61840291     -0.35187841
  H      5.30869555      7.31052155      1.26750061
  H      0.90694983      8.29764807     -1.04154299
  O      0.53589551      5.26276647      0.92406589
  H      1.77095619      6.93421172      3.18124066
  H      1.38224624      8.76247311     -2.44192733
  O     -2.32453920      7.61679516      1.45901564
  H      2.82094594      7.20199631      2.05544544
  H     -2.85123412     -0.43404704     -2.91373039
  O     -1.18597022      1.56448224     -0.42572584
  H     -0.04269390      5.60999889     -0.68547522
  H     -2.55050293      1.08328232     -2.99442412
  O     -1.34045205      6.19601404      3.56575855
  H      0.17812207      6.51686466     -1.91797063
  H      1.65255364      2.81898200      3.22575141
  O     -3.10003665      3.37169566      0.52977492
  H      1.81894140      3.31474566     -1.11395324
  H      2.90527388      3.69879070      3.10707687
  O      0.21422369      8.64017838      0.51152947
  H      1.73453884      4.19451558      0.15895251
  H     -3.69366633      5.05156323     -2.12144317
  O      0.77089692      1.90063036      1.55216219
  H     -0.06082575      4.80259288      1.52564117
  H     -4.55556877      5.03666625     -3.39976023
  O      0.29728362      3.10979033     -2.25719800
  H      0.97237661      5.97263736      1.41089083
  H     -2.64820746      3.28376855     -3.55487721
  O      1.28863083      7.99404213     -1.88597656
  H     -2.93603203      8.25871705      1.81293897
  H     -1.18058057      2.79334038     -3.46954126
  O     -2.81260356      0.36301915     -2.39255996
  H     -1.97285165      7.12643897      2.22323416
  H      1.56309221      5.04370661      4.33110693
  O      2.12090058      3.53900742      3.65500609
  H     -1.67267476      0.97733246     -1.01709322
  H      1.56395643      5.97587556      5.56390251
  O     -3.99560567      4.49017106     -2.85261103
  H     -1.83233835      2.20168579     -0.08957064
  H      4.36809086      4.96806688      1.73812597
  O     -2.05705858      2.56204689     -3.80194605
  H     -0.50231463      6.24678466      4.03813307
  H      3.71184151      3.79132262      0.99567076
  O      1.30852401      5.93002457      4.64659494
  H     -1.43316686      5.25982552      3.33522661
  H     -4.64656037      2.90491109     -1.90662092
  O      4.13059026      4.03772046      1.82976999
  H     -3.79930820      2.90554566      0.04933780
  H     -4.24308102      1.44147926     -1.65055123
  O     -4.76237584      2.17111493     -1.28970091
  H     -3.04495069      4.25831128      0.15038461
  H      3.07932416      5.35203520     -1.05475567
  O      3.41723476      6.25367003     -1.08217335
  H      0.81693882      8.32840859      1.20159916
  H      2.70947490      6.81638150     -1.41995715
          69
 Energy    -248.07409183796005     
  O     13.69446090     11.73615200     -8.63302521
  H     13.59908860     11.74582356     -7.68310857
  H     16.69548714     14.12719245    -16.60536591
  O     10.79200999     11.00645349    -14.89306848
  H     12.79659689     11.70303150     -9.00090621
  H     12.95412089     14.30251049    -11.48708669
  O     14.28490629      9.33589570    -10.10744017
  H     10.65044444     11.80286372    -14.35872960
  H     13.12087525     12.87482086    -12.03610502
  O     11.31655342     11.56040493    -10.03138054
  H     11.04511665     11.31378620    -15.77279744
  H     11.25875582     14.19631587    -14.78192993
  O     11.84555195      9.27353254    -11.58821459
  H     13.43315287      9.16664751    -10.52731648
  H     11.87915485     13.75063035    -16.11586713
  O     13.11844314      9.77668443    -13.97395463
  H     14.16669571     10.12334759     -9.56302593
  H     15.22635024     11.89685111    -12.61495441
  O     14.41753337     15.49100015    -11.68639758
  H     11.65747261     12.30240739    -10.55638593
  H     14.02860543     11.21239524    -13.36870460
  O      9.41841990      9.37199313    -13.10050638
  H     11.49191687     10.75683431    -10.54265533
  H     17.37846335     12.30633748    -14.99495075
  O     14.42181991     14.45809770    -14.28236092
  H     10.96001550      9.11957671    -11.93681294
  H     17.63214886     11.90299631    -13.52349001
  O     14.41176209     11.49580571    -16.99257611
  H     12.40124989      9.39040799    -12.37429664
  H     11.59049047     12.21001656    -18.13614508
  O     10.35483644     13.28128963    -13.36761072
  H     13.65976332      9.38339186    -14.66915323
  H     12.76306339     11.92466236    -17.16592480
  O     16.27036776     13.46274990    -16.06802852
  H     12.34442991     10.18695056    -14.38510160
  H     15.82477963      9.12470713    -10.88199295
  O     12.48487069     13.47027378    -11.60789830
  H     14.54074309     16.43554498    -11.63599897
  H     17.24307848      8.52111706    -10.76609688
  O     11.93042269     14.43209274    -15.43485767
  H     14.50062897     15.24908686    -12.62365257
  H     17.29961103      9.98662904    -14.33097880
  O     14.35313048     12.04267248    -13.00108539
  H      9.83828256      9.87283284    -13.81923831
  H     16.80025261      9.02678763    -13.22191573
  O     17.86738329     11.69053343    -14.43834260
  H      8.81287676      8.75989865    -13.51166632
  H     15.00203440      8.10788556    -16.45567987
  O     11.81897382     12.16357041    -17.21192654
  H     14.42139352     13.57019775    -13.88894652
  H     15.63492909      8.94236457    -15.31445458
  O     16.70320139      9.09806050    -11.30028190
  H     13.56299960     14.56407655    -14.71941698
  H     16.56298434     12.40933355    -11.09542962
  O     16.86119643      9.13549074    -14.17675793
  H     15.10116962     12.10839871    -16.71127369
  H     16.91128066     10.94132974    -11.53098392
  O     14.88310721      8.89727471    -15.93571286
  H     14.65985296     10.61959783    -16.67408651
  H      9.52682864     11.72363967    -10.88074239
  O     16.86563396     11.85784430    -11.83183400
  H      9.67034214     12.89372873    -12.80416837
  H      8.89068917     10.91103011    -12.01909104
  O      8.86527490     11.77094231    -11.58201645
  H     11.10829029     13.44295313    -12.78194953
  H     15.22632894     14.16281866    -10.44553170
  O     15.63825357     13.43758596     -9.96249604
  H     15.66910499     13.93186528    -15.46710069
  H     14.93203170     12.95086832     -9.52018274
          69
 Energy    -248.07395634122764     
  O     11.22731885      3.19602246    -12.64068615
  H     10.43898935      2.74504484    -12.34613785
  H     19.24781605      5.75686415    -16.21334380
  O     17.59977468      4.37896279    -10.34197280
  H     11.22293750      4.06819011    -12.21400698
  H     17.58721913      6.20077371    -12.65464880
  O     14.63340831      8.44319216    -11.86077999
  H     16.89090924      3.74095268    -10.20629241
  H     18.12968294      5.44985864    -13.89370680
  O     15.69646418      9.19256588    -16.01401487
  H     17.70778596      4.49787040    -11.29467608
  H     10.40297989      8.02191281    -14.18364724
  O     17.96566185      6.87534850     -9.35940788
  H     14.42969088      8.95262207    -11.06372805
  H     11.91450868      7.72461424    -14.10501216
  O     14.20338602      4.91128231     -8.76472485
  H     14.44376054      7.51378770    -11.65531929
  H     14.25284615      5.51229392    -10.49105038
  O     15.40247694      2.58017025     -9.75251074
  H     15.82404126      9.99777567    -16.50844580
  H     14.50850419      5.21939163    -12.01741455
  O     13.62585935      8.21161238    -14.38985423
  H     16.49294010      9.07281170    -15.46520112
  H     14.40490238      2.84675172    -12.56115622
  O     16.22209817      6.48264804    -16.85867099
  H     18.78999679      6.90941949     -8.88113099
  H     12.96206913      2.48134017    -12.17138857
  O     11.41729964      4.99602248     -8.90195741
  H     17.84278748      5.94999856     -9.63900537
  H     14.58466373      8.80075298     -8.92603824
  O     17.92454837      8.65507358    -14.56085735
  H     14.57246417      4.04012304     -8.95746818
  H     14.21752227     10.29149188     -8.81873220
  O     18.58252281      6.04687738    -15.59542615
  H     13.24000427      4.83422304     -8.71224992
  H     17.61606243      7.66776668    -11.02615722
  O     17.74280822      5.31720012    -13.01955489
  H     15.60736409      1.72655443     -9.38006644
  H     16.42192057      8.14278083    -11.89989809
  O     11.03478862      7.36279092    -13.90650789
  H     14.83095125      2.41818139    -10.52432245
  H     16.30013349      7.26809151     -8.56004176
  O     14.09221567      5.82484278    -11.39076000
  H     14.24415547      8.62821908    -15.00323539
  H     14.97389566      6.53066031     -8.29667413
  O     13.88261465      2.28732001    -11.96616496
  H     13.97363754      8.36792644    -13.49818607
  H     11.12523762      6.37594132    -12.29984514
  O     14.17502452      9.54231356     -9.40601510
  H     16.03109824      7.42253733    -16.75510813
  H     12.34137848      5.80600297    -11.53398160
  O     17.35027433      7.87118504    -11.93105471
  H     15.45597330      6.02573785    -16.48472914
  H     14.84040616      4.64379189    -14.12869791
  O     15.39728852      7.39771151     -8.24538686
  H     11.26671775      5.31643690     -9.80413988
  H     16.15400924      4.54360951    -13.29267755
  O     11.37320808      5.76293495    -11.59853800
  H     10.85494125      5.52600478     -8.34053261
  H     11.14804114      5.58365180    -14.73254928
  O     15.24241695      4.22915572    -13.35291381
  H     17.81718899      8.50684719    -13.61159432
  H     11.34488571      4.09955227    -14.36022403
  O     11.43277767      4.73106432    -15.08431198
  H     18.30090733      7.83990537    -14.91413409
  H     13.13732673      5.20066386    -15.43525822
  O     14.01966667      5.59642065    -15.40069575
  H     17.75087627      6.13013967    -16.09624720
  H     13.91292227      6.48314592    -15.03074779
          69
 Energy    -248.07387289736698     
  O     18.40890952     11.18511894    -16.41119939
  H     18.09112899     10.30425848    -16.15416836
  H     21.22984942      9.92145463    -15.01570296
  O     14.59603664      6.79534475    -15.08657217
  H     17.66021372     11.79219360    -16.38542097
  H     17.33667339      8.03924073    -16.08404350
  O     18.28352686     12.70578435    -12.60275993
  H     15.14208220      6.71625248    -15.88137894
  H     18.45276585      8.25461423    -15.02044101
  O     19.90865067      7.52670962    -14.01203448
  H     15.05718251      6.29403178    -14.40248617
  H     15.94985387     12.68273919    -15.23622782
  O     16.05736463      8.95627481    -19.08724374
  H     17.42655278     12.46615155    -12.97955976
  H     16.07477707     13.82226839    -16.27672668
  O     16.01919965     10.26078473    -10.09158233
  H     18.95531997     12.37863819    -13.21178624
  H     16.36218503      7.30882094    -12.30337926
  O     15.27062023      9.34613711    -14.47757682
  H     20.64569500      7.94977497    -14.46846475
  H     15.88814990      8.68554701    -12.80344631
  O     18.45348863      5.26614334    -14.60940254
  H     19.69648883      8.07556458    -13.24317642
  H     14.86020417     10.07282642    -16.27457998
  O     18.86537628      5.50949135    -17.44100529
  H     15.62811015      9.53464145    -18.43177785
  H     15.26565344     11.38877150    -16.95007737
  O     16.46194588      6.90597107    -17.22087673
  H     15.53088538      9.00294169    -19.88105740
  H     19.17250858     11.85465526     -9.64538107
  O     16.25867147      5.60655410    -13.06384243
  H     16.08328440      9.47355876    -10.64634457
  H     18.50813453     11.94065175    -11.04161565
  O     21.70502594      9.17307231    -15.41189685
  H     16.91424652     10.61739909    -10.02784097
  H     18.06281693      8.94725034    -12.16948318
  O     17.71636299      8.68299995    -15.47011103
  H     16.18506335      9.19382837    -14.76963125
  H     18.99726581      9.94775405    -11.45379943
  O     16.14367266     12.87736184    -16.16982353
  H     14.80983376      8.50830521    -14.64285938
  H     13.71048044     12.41307805    -10.69950151
  O     16.38142149      8.25218070    -12.09629711
  H     18.56536913      5.20245779    -15.56407391
  H     14.96539755     11.52279775    -10.75773828
  O     14.95464372     10.49412535    -17.13579119
  H     19.06554189      5.96128397    -14.32596327
  H     20.87925051      8.22757854    -16.92992941
  O     18.65531176     11.35887922    -10.27387493
  H     19.23212382      4.85848841    -18.03274182
  H     19.86810606      8.42032163    -18.08088368
  O     18.95028249      9.33271367    -12.19517871
  H     19.44990403      6.28880702    -17.48523838
  H     15.22296384     12.17517571    -12.82591348
  O     14.47221203     12.21159675    -11.23536623
  H     16.32266542      7.50201007    -17.96855936
  H     15.49617784     11.07462270    -13.88325763
  O     20.35969593      7.74938167    -17.58261177
  H     17.22409395      6.34518072    -17.41759289
  H     19.59389419     10.47684042    -13.58687847
  O     15.71528051     11.98320094    -13.63837471
  H     16.08405684      4.79371107    -12.59654158
  H     19.48848689     11.17149041    -14.99248778
  O     20.04950191     11.06314701    -14.20801319
  H     17.03665334      5.44301478    -13.62658009
  H     18.76765842     10.36912595    -18.09272410
  O     18.82379791      9.70560003    -18.79258070
  H     22.63187262      9.39876413    -15.39437009
  H     17.91246978      9.46582469    -18.99765827
          69
 Energy    -248.07384840394104     
  O     15.66237683      5.70721660    -13.49449473
  H     15.82167652      5.53762896    -14.43051025
  H     21.10517256      8.93106129    -15.85582693
  O     17.39550414     11.93637309    -12.20103160
  H     15.32281810      6.61098886    -13.44025288
  H     17.91604362      8.14986980    -14.86751155
  O     21.29792220      8.39575003    -12.60118245
  H     17.91997454     12.61314914    -12.64635262
  H     16.69283854      8.78302429    -14.12248567
  O     15.94582622      7.88507059    -17.33980499
  H     17.97613316     11.16918702    -12.09348347
  H     16.50438318     11.17993954    -17.31612023
  O     13.45667149     10.62042638    -12.41050427
  H     22.19274717      8.40376704    -12.27305742
  H     17.11116407     12.56759360    -17.09798824
  O     15.16924722      8.43417810    -13.11365048
  H     21.32387642      8.77703858    -13.49803350
  H     17.53129466      8.74804180    -11.07871808
  O     18.92916748     13.47831036    -13.97333266
  H     15.52044517      8.66239705    -16.96222421
  H     16.91471102      7.35944853    -10.81457958
  O     19.65105788      6.07942052    -13.08270336
  H     16.71213908      8.22446834    -17.82557745
  H     15.11993287     10.85323042    -15.63080321
  O     18.72461113      6.61924821    -15.57262984
  H     12.57169609     10.70593342    -12.06804984
  H     14.11474827     10.73037639    -16.79442360
  O     16.26476491      5.46717898    -16.24902328
  H     14.06411305     10.71858432    -11.65365878
  H     16.07346151     11.34465689    -10.96417148
  O     17.36679355      5.63535173    -11.39448996
  H     14.47621053      9.09313652    -13.00397307
  H     15.79287677      9.94538230    -10.37929847
  O     21.21468055      9.49235032    -15.07790084
  H     15.64812410      8.40187384    -12.27138818
  H     19.74338575      9.24472143    -12.06683255
  O     17.60004333      8.94048513    -14.41229795
  H     19.78503565     13.89883747    -13.97929828
  H     18.42934865      9.27868462    -12.87795584
  O     17.28332844     11.71387626    -17.52238396
  H     19.02202719     12.64319014    -14.46577615
  H     16.07336600     11.79993991    -13.51559858
  O     16.72614238      8.30538291    -10.77102305
  H     18.96483293      5.97078019    -12.41362863
  H     14.55726864     11.53902241    -13.59491449
  O     14.95874462     10.41211667    -16.47998517
  H     20.22093397      6.80592768    -12.80344185
  H     20.89521526      7.25639148    -17.80449985
  O     15.39316897     10.81175330    -10.52998565
  H     19.06209341      6.32548845    -14.71177670
  H     19.82966222      7.37901938    -16.68933672
  O     18.83384730      9.56254101    -12.04226802
  H     17.94819345      6.09540680    -15.80190920
  H     16.05467416     13.24304201    -15.22700603
  O     15.32014221     11.80930902    -14.12164425
  H     16.07944754      6.33016889    -16.66649990
  H     17.42284409     13.92168837    -15.17667881
  O     20.43024025      7.88881784    -17.26224495
  H     15.99817620      4.79684359    -16.87158432
  H     18.45787549     10.38724577    -15.01948608
  O     16.66259879     13.77884381    -15.75270737
  H     16.75895638      5.57827091    -12.15473046
  H     18.49999880     11.36673172    -16.20348634
  O     18.95822725     11.13094825    -15.38630640
  H     17.27240724      4.82123712    -10.90679473
  H     18.97886910      8.85444441    -18.13153712
  O     18.13431174      9.12365077    -18.51109377
  H     20.54537079     10.18189490    -15.17773277
  H     18.03552086     10.06743892    -18.34099415
          69
 Energy    -248.07378896659901     
  O      3.57535704    -11.04415751     -7.06364044
  H      2.80495821    -10.50351547     -7.31617158
  H      0.60463357     -9.99061107     -7.24786701
  O     -0.09791899     -8.92787859     -4.04127219
  H      4.03175473    -11.26042804     -7.87376969
  H      6.64212620     -9.42550183     -2.12351064
  O     -0.52022446     -6.50434572     -2.67436292
  H     -0.36952883     -8.12714106     -3.57555582
  H      6.44504120     -8.36341852     -1.04028250
  O      1.70039183     -7.48827172     -5.74140661
  H      0.31625535     -9.50873189     -3.38600513
  H      1.02318665    -10.41534404     -1.27338080
  O      2.37776202    -12.83362016     -3.14799088
  H     -1.25168231     -5.89276177     -2.67356061
  H      2.05932035    -10.06381064     -2.38111111
  O      5.73920503    -11.03033099     -2.39644185
  H      0.23641210     -6.03389353     -3.07104697
  H      4.27316842    -13.73099836     -0.65219020
  O      3.72060829    -10.47229477      0.62629369
  H      2.60274734     -7.82127450     -5.62401305
  H      3.46640230    -12.94038860     -1.70181789
  O      0.84041962     -7.41536289     -0.33872629
  H      1.13204903     -8.00700498     -5.15507903
  H      5.41839577     -7.46410419     -4.58314442
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  H      2.00150837    -12.98291481     -4.02720177
  H      6.27003959     -7.41372480     -3.28654016
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  H      1.89599904    -12.07094094     -2.79452846
  H     -0.54313104    -10.08985322     -5.31915519
  O      0.92337316     -9.94971686      0.51624730
  H      5.36200481    -11.66666155     -1.77912733
  H     -1.59239302    -10.87449686     -6.13965555
  O      1.38545889     -9.56639951     -7.62517552
  H      5.56157887    -11.38879666     -3.28041240
  H      4.33902569     -9.79707558     -2.49508999
  O      6.81132980     -8.49487167     -1.92204315
  H      3.82255538    -11.31004443      0.16013080
  H      3.58154672     -8.46130872     -2.17860154
  O      1.21602714    -10.51730065     -2.21280341
  H      2.77156165    -10.29875806      0.66088520
  H      4.40396639    -11.82673703     -5.50957207
  O      4.07088964    -12.84623699     -0.94739950
  H      0.30849509     -7.09487998     -1.07548103
  H      3.92924687    -12.40775302     -4.16813276
  O      5.85925571     -6.86398802     -3.97098191
  H      1.75867302     -7.19391923     -0.55256476
  H      0.66987580    -12.11104587     -5.82154915
  O     -0.65397324    -10.74252734     -6.03077286
  H      4.13993798     -9.49464223     -5.89212867
  H      2.13102291    -12.28450292     -6.25922577
  O      3.56468892     -9.26323157     -2.71721494
  H      3.93525461     -8.97037540     -4.44330481
  H      1.69659707     -5.96684260     -4.65249090
  O      4.72011371    -12.14496523     -4.65863983
  H      4.69681847     -4.18832566     -2.81420019
  H      2.49184872     -5.20331324     -3.56498799
  O      1.43508145    -12.69393790     -5.73592610
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  H      4.18451738     -7.28978055     -0.44539165
  O      1.60197966     -5.37683501     -3.89200520
  H      0.27088575    -10.11509947      1.19068261
  H      3.80222138     -6.26222734     -1.57481688
  O      3.48659346     -7.01066412     -1.05255518
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  H      5.73234243     -8.16988995      1.43223194
  O      5.35586636     -8.29470434      0.56523823
  H      1.45944456     -8.71529809     -7.17308673
  H      4.81010674     -9.10034720      0.61100388
          69
 Energy    -248.07370506965444     
  O      9.98629836      1.70358810    -21.54809967
  H     10.40118946      1.15621855    -20.86383075
  H      8.77340456     -1.68034972    -20.03379443
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  H     10.32047080      2.60407073    -21.42413165
  H     13.11333542     -2.84140690    -16.49742110
  O     11.24583578      0.36153950    -19.51059793
  H     11.70478002      4.18747039    -20.50156825
  H     12.60949994     -2.24368179    -17.81959649
  O     13.69456382      0.68147549    -16.89610018
  H     11.09192758      4.64696526    -21.84953292
  H     13.50169374      3.14834176    -19.54024369
  O     13.77605356      1.36184690    -19.66046938
  H     11.41472291     -0.58481126    -19.43723155
  H     12.75576581      4.24760584    -18.72218459
  O     12.63393159      2.83308624    -24.67440715
  H     10.72160040      0.63372331    -18.74497400
  H     11.61005576      3.59326084    -16.74552945
  O      9.62890985      1.27802090    -17.47511423
  H     13.54956835     -0.27575762    -16.89462048
  H     10.62293556      4.26265962    -17.71773422
  O     11.77350574     -2.39211332    -19.42653007
  H     13.93669385      0.92037334    -17.79831256
  H     10.87963683      1.01015614    -22.93007522
  O     10.83818770     -2.05818236    -22.89601857
  H     14.01843069      1.04275666    -20.53639574
  H     11.19959441     -0.38107095    -23.51038164
  O      8.00007602     -0.37408198    -19.13113566
  H     12.85991623      1.06517158    -19.53852337
  H     13.72530039     -1.38220179    -21.87167580
  O     11.85052020      5.13351862    -23.46353374
  H     13.55444976      2.70239879    -24.41741534
  H     14.17438856     -2.85819426    -21.93452429
  O      9.19701964     -2.41510080    -20.51045707
  H     12.17511421      2.01295620    -24.44671352
  H     13.54986467      4.99768154    -22.51358084
  O     13.09594898     -2.03548361    -17.00755941
  H     10.25151130      1.45860910    -16.75883762
  H     14.07036961      4.58160149    -21.12291036
  O     13.23166141      4.07775203    -19.54787372
  H      9.42760244      2.12799770    -17.89234300
  H     12.43563438      1.54105075    -16.10402124
  O     11.52645908      4.30980637    -17.38764925
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  H     11.81795049      2.02017708    -14.76782390
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  H     13.08506815      0.44218221    -22.71203413
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  H     10.22125462     -2.13767244    -22.15881404
  H     14.52245952      1.01313625    -22.70803048
  O     14.33301485      4.68109133    -22.04836804
  H     11.70577042     -2.29038801    -22.54334278
  H      6.79937436      2.22516044    -21.28176587
  O     11.67579581      2.00767675    -15.71011329
  H      7.62893201      0.36044668    -19.63513306
  H      8.28573964      1.86939444    -21.04380529
  O     13.95954258      0.33820193    -22.30777517
  H      8.47376629      0.04335995    -18.40036883
  H     14.97919143      3.31081288    -22.90169150
  O      7.42983830      2.00522225    -20.60061732
  H     12.06947660      4.32033001    -23.95327397
  H     16.09358901      2.73871171    -23.80847501
  O     15.23501409      2.54235990    -23.44378364
  H     11.65251241      5.80222799    -24.11336968
  H      9.66477048      3.97281725    -19.60654524
  O      9.08288443      3.65991622    -18.89835259
  H      8.54908403     -3.11447373    -20.55301411
  H      8.34027550      3.24304545    -19.35169444
          69
 Energy    -248.07332004514444     
  O     -4.60490845      3.58315676      3.50271327
  H     -5.16656431      3.51132049      4.26950573
  H     -5.41350318      4.73044949     -1.79214368
  O     -2.51538936     -2.40671765      1.22954728
  H     -3.78971078      4.03390044      3.79051744
  H     -0.82405725     -1.42664660     -1.82714376
  O     -1.89350170      4.53528889     -1.95954464
  H     -3.00922315     -3.19975733      1.41953217
  H     -1.08836096     -1.61678358     -3.33943920
  O     -3.86162878      1.71332783     -0.81450952
  H     -2.98943933     -1.94611748      0.51357058
  H     -0.23712065      3.40658550      2.77338460
  O      1.33743737      5.37427140      1.54098337
  H     -1.66301166      3.62421177     -2.17618859
  H     -0.01073443      2.80206953      4.18130793
  O     -1.13947503      3.18955686      1.26838221
  H     -2.85028441      4.53780796     -1.82814645
  H     -2.07149079      6.64864274      1.44808571
  O     -0.45159064      1.19337391      4.85320389
  H     -2.98775895      1.71959584     -1.23379478
  H     -2.52279144      7.93479800      2.18339026
  O     -3.62768788     -1.10732322     -0.88522948
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  H     -3.68648823      1.68075727      0.97267072
  O     -1.58821263     -0.21696517      2.73198531
  H      2.00572610      4.81267675      1.12792391
  H     -3.91891735      2.27303030      2.42125089
  O      0.89002538     -0.02959763      1.37966919
  H      1.12377609      4.95366065      2.38095182
  H     -2.35738901      5.71142843      3.51118410
  O      2.46873811      1.95022759      2.66518164
  H     -1.96707152      2.73266533      1.45825329
  H     -1.43868509      4.58407008      4.05258906
  O     -4.68929735      4.34577484     -1.30563285
  H     -1.33155556      4.07776291      0.94268286
  H     -1.36020479      0.78553442     -2.42182586
  O     -1.32666808     -1.08184806     -2.58712576
  H     -0.01834394      0.60595455      5.46826652
  H     -0.57980544      1.82355978     -1.58836596
  O      0.21263610      3.56120334      3.62035905
  H     -0.86668756      0.62367497      4.18728256
  H     -4.84213989      4.70145312      1.98625377
  O     -2.65850419      6.99204603      2.14652608
  H     -3.89681824     -0.18076814     -0.85633851
  H     -4.11687595      5.97094127      1.51477349
  O     -3.37177224      1.68328656      1.88798623
  H     -2.94815809     -1.15793336     -1.56975494
  H      1.55885828      2.58172288     -0.29087129
  O     -2.33361006      4.93737375      4.08926235
  H     -2.24292844      0.44706181      2.46750589
  H      0.08335489      2.53583826      0.20011082
  O     -1.38320696      1.70044447     -2.11578291
  H     -1.88682396     -1.04956617      2.34633208
  H      0.38225946     -1.44030948      0.21560580
  O     -4.73908937      5.29038305      1.22948049
  H      0.82556408      0.65840041      0.70086303
  H     -0.87827150     -2.31879224      0.21836831
  O      0.72121597      2.11797952     -0.40225094
  H      0.04635655     -0.04536930      1.85267849
  H      4.00922839      3.39968750      0.23357054
  O     -0.13890707     -2.03832654     -0.33515873
  H      2.01976548      1.15280891      2.35260827
  H      2.98799347      2.86574823      1.26956114
  O      3.08397411      3.40335856      0.46195826
  H      1.79918815      2.46814739      3.12597922
  H     -1.22533927      5.46560252     -0.57267694
  O     -1.08787785      5.82819410      0.31454430
  H     -4.73108102      4.71116900     -0.40392809
  H     -0.16308643      5.73385086      0.58852064
          69
 Energy    -248.07329408132802     
  O     12.44320940      2.80023809    -12.20079255
  H     11.59645330      2.36008053    -12.34750614
  H      8.49979474      6.54536034    -10.19130020
  O     12.77151508      2.71057961     -9.46903527
  H     12.33793412      3.69537404    -12.54428469
  H     11.91926615      5.58877998     -9.63930217
  O      8.18646558      7.03695679    -13.11202588
  H     12.22828260      3.50027063     -9.31539043
  H     11.20334734      5.32282933     -8.26750569
  O     15.51995280      6.28103607     -9.45895525
  H     12.80302757      2.61442633    -10.43104790
  H     13.43287498      5.42516631     -4.99359153
  O     10.67388736      5.81859517     -6.58717554
  H      8.35907444      6.08624526    -13.12005093
  H     12.35680672      5.65144191     -6.07785562
  O      9.81077935      1.66565064    -12.45348917
  H      8.96462957      7.43255487    -13.52324652
  H      9.80457566      1.10718291     -9.18899313
  O     11.11608427      1.30673906     -7.82687133
  H     16.41968250      6.20472487     -9.76323477
  H      8.41124816      1.68770478     -9.46535015
  O     11.77524739      5.55958995    -12.87310315
  H     15.31710990      5.46707407     -8.96254779
  H     13.89277765      7.11772372     -6.86975797
  O      7.34396617      3.02825274     -8.61469324
  H     10.14562853      5.00322909     -6.55574259
  H     14.72704111      7.42788131     -8.12026381
  O     10.57447157      9.07294314    -11.39331196
  H     10.13063414      6.54432064     -6.91521168
  H     14.22327749      4.50242830     -7.27316852
  O      9.23787528      4.39486607    -12.78956233
  H      9.60656430      0.88538593    -12.96242417
  H     14.13298511      3.54680868     -8.49652908
  O      8.40337086      7.48749961    -10.39319494
  H      9.56254989      1.47065643    -11.53281470
  H      9.67980059      4.77589041     -9.75899218
  O     11.32621883      4.99095607     -9.16466860
  H     11.77818119      1.72691454     -8.40226851
  H      8.84915466      4.60531677    -11.05995797
  O     13.31151660      5.54337562     -5.93275344
  H     11.55667319      0.58796610     -7.38060977
  H     13.90986709      6.50774542    -10.32484730
  O      9.12033455      1.17079340     -9.86614318
  H     11.50768597      6.33492543    -13.38334459
  H     12.65845616      7.42025827    -10.16802695
  O     14.12022570      7.82623812     -7.48369826
  H     12.23616863      5.91573474    -12.10012221
  H      8.63756325      3.25453402     -7.23615353
  O     14.72280320      4.14338666     -8.01697802
  H      6.40630281      3.19336548     -8.66213353
  H     10.04211691      2.67884267     -7.00396801
  O      8.77662120      4.76703653    -10.10891748
  H      7.77881779      3.70102814     -9.16956159
  H     11.19792055      8.50013108     -8.53529671
  O     12.99553915      6.62950406    -10.61142295
  H      9.82561387      8.56614717    -11.05301833
  H     12.74888502      8.51778803     -8.40478116
  O      9.44791161      3.38839826     -6.72969217
  H     11.17316458      9.17137741    -10.64375313
  H     11.04282092      8.66945678    -14.53043461
  O     12.01292174      8.70148211     -9.00865763
  H      9.34917381      3.43598265    -12.80321047
  H     10.79882951      8.45837666    -13.01751776
  O     10.79807737      8.01270714    -13.88423467
  H     10.12731171      4.77953643    -12.82245843
  H      8.94483148      8.74639781     -7.45975738
  O      9.42398438      8.03625625     -7.88215113
  H      8.15917169      7.49843683    -11.33053634
  H      8.99763309      7.89531297     -8.74351369
          69
 Energy    -248.07325915458762     
  O     -0.78305113      4.02123354      2.61489508
  H     -0.31135085      4.61741407      3.20796301
  H      0.22732885      1.56254803      1.16375694
  O     -2.97533002      5.38620038     -1.22897690
  H     -0.22001878      3.24226685      2.48446122
  H     -0.14204786      3.85685725     -2.61817523
  O      4.20336428      6.82101778      0.72404353
  H     -2.87737445      4.73186018     -0.52029501
  H     -0.73412014      2.54832006     -3.21609647
  O      1.65795324      7.25585936      1.80957946
  H     -2.10545616      5.48378452     -1.64556478
  H      0.81796729      8.17995210     -1.72995552
  O     -0.38819938      5.54858249     -2.12126232
  H      3.90830117      6.55537745     -0.16541038
  H      1.15483290      8.57336039     -3.19028213
  O      2.55558470      3.22475575      0.05411624
  H      4.93966362      7.41451906      0.60066996
  H     -3.59161624      0.60551816     -1.25423807
  O      0.54735395      5.13666435      0.39537923
  H      2.58715021      7.15116414      1.56237006
  H     -3.24789769     -0.87470562     -1.55294999
  O     -2.46866815      7.81314935      0.13847322
  H      1.51062724      6.79769259      2.64684910
  H      3.22403394      3.67310286      3.22658925
  O     -0.83517157      1.53433400     -0.43640428
  H     -0.05991636      5.42040816     -1.21521948
  H      2.02311638      2.69973383      3.32233249
  O     -2.61645836      3.39166549      0.65469677
  H      0.05877104      6.33163359     -2.46123721
  H     -3.97326516      4.42527315     -2.36396810
  O      0.20014825      8.60194301     -0.18966111
  H      1.90666835      3.93965474      0.14295631
  H     -5.08258676      4.24078745     -3.42400055
  O      0.86257424      1.90439213      1.80646653
  H      2.74498631      3.15091245     -0.88715646
  H     -2.54516701      1.16998444     -3.10925338
  O      0.04188109      2.91771559     -2.77015127
  H      0.93473747      5.92969191      0.78903256
  H     -3.06701834      2.55508182     -3.52625208
  O      1.13952650      7.83733315     -2.58551981
  H     -0.01187767      4.74044541      1.07415023
  H      1.79925930      3.17986750     -2.83614386
  O     -2.90134021      0.01182178     -1.60068300
  H     -3.22710863      8.10183054      0.64107249
  H      3.21297579      2.97546632     -3.42567650
  O      2.46992325      3.41707703      3.78163632
  H     -2.74747275      7.01023030     -0.32372967
  H      1.59139781      4.87567254      4.03449693
  O     -4.44003837      3.76539779     -2.90343353
  H     -0.42559912      1.98471148     -1.18721609
  H      0.98439748      5.92207923      5.00038782
  O     -2.34982965      1.92683384     -3.67556896
  H     -1.44987317      0.88442157     -0.80057325
  H      3.85661848      3.78126377      1.23042983
  O      2.73361428      3.43075808     -2.73805403
  H     -2.00941993      2.75670281      0.24590943
  H      4.43792572      5.13340696      1.63695065
  O      1.02851703      5.67082298      4.08161342
  H     -2.19025162      3.66871142      1.47568269
  H     -4.09096010      2.42939241     -0.07230140
  O      4.35123407      4.22181914      1.93655612
  H     -0.72993447      8.37554584     -0.04842083
  H     -4.72752225      2.51734838     -1.46982990
  O     -4.61411947      1.92856400     -0.71277387
  H      0.68318099      8.29165119      0.58640647
  H      3.10339609      5.26804974     -2.12521742
  O      3.25953132      6.13668593     -1.73950076
  H      1.57186757      2.26458395      1.25285842
  H      2.57860376      6.72353918     -2.09220452
          69
 Energy    -248.07314963951825     
  O     -3.55520223     -2.83596620     -0.34526302
  H     -3.37064672     -3.38905623      0.42305814
  H     -1.78843040     -7.64439581      2.44135395
  O      3.35470229     -7.23052506     -2.41982101
  H     -4.38531157     -3.17391525     -0.71306897
  H     -2.75277250     -8.42307984     -3.95721464
  O      0.10868565     -7.29775625      2.04186567
  H      3.37794820     -6.55790154     -1.71549294
  H     -3.38920007     -9.76582794     -4.39181629
  O     -5.79291207     -7.59088150     -3.12422055
  H      4.09450815     -7.05664719     -2.99501494
  H     -3.94149825     -8.47684946      1.58366985
  O      2.71249843     -9.15676314     -0.38725403
  H      0.01234947     -6.33838409      1.97308600
  H     -5.02242498     -9.58426350      1.58284414
  O     -2.66223564     -9.13044414     -1.02832055
  H      1.06151533     -7.44848169      2.09684581
  H     -2.83685694     -5.32852220     -2.45026994
  O     -3.03140182     -6.30904932     -0.97151221
  H     -5.70964307     -6.73624309     -3.56677763
  H     -2.26680874     -4.00805691     -3.00846228
  O      0.55116102     -6.93857653     -2.42220091
  H     -5.02883744     -8.11501729     -3.39281097
  H     -5.81184909     -4.29312797     -2.29021632
  O     -5.35246539     -4.93950338     -4.08437443
  H      3.00831547     -8.66592797     -1.16368184
  H     -5.95293915     -4.95442480     -0.91253748
  O      2.90079441     -7.47553124      1.73638875
  H      1.74661138     -9.19162395     -0.44429603
  H      0.15663826     -4.49366855      0.70823905
  O     -5.72486181     -6.81108951     -0.50877922
  H     -3.00608236     -9.23521779     -1.92485780
  H      0.51613568     -3.82353187      2.05866467
  O     -2.74630143     -7.53914549      2.43487613
  H     -3.39240666     -9.20563767     -0.40067678
  H     -0.13013073     -3.86669198     -1.39331146
  O     -3.42634953     -9.08728216     -3.72293672
  H     -3.99125965     -6.36342673     -0.84632139
  H      0.38869231     -5.33105358     -1.54803720
  O     -4.58404968     -8.94908328      1.02305475
  H     -2.72189750     -7.22086973     -1.00634124
  H      2.25523904     -5.03327000     -0.52460120
  O     -2.73711417     -4.80842470     -3.26470406
  H      0.31669550     -7.56155494     -1.71791941
  H      2.98950108     -6.01215224      0.43400623
  O     -5.81544304     -4.10172097     -1.34567443
  H      1.49356204     -7.05629137     -2.59335099
  H     -2.78770881     -5.36058756      0.57120423
  O     -0.01228235     -4.51349437      1.66595561
  H     -4.40795182     -4.83779326     -3.87795102
  H     -1.85174034     -4.67085013      1.60021630
  O      0.45877555     -4.52929278     -1.01066307
  H     -5.50772793     -4.47669759     -4.90369119
  H     -2.19503628     -2.68439644     -1.37366005
  O      3.10118842     -5.46622762     -0.35428596
  H      3.61446923     -7.70012899      2.32767144
  H     -1.29541075     -1.76443791     -2.23589532
  O     -2.77333555     -4.90214060      1.42667357
  H      2.90911942     -8.13882698      1.02272270
  H     -0.94931646     -8.98961116     -0.58334693
  O     -1.42833449     -2.67235629     -1.97803435
  H     -5.50711944     -7.54573181      0.07539692
  H     -0.08435656     -8.21910104      0.46264426
  O     -0.05237759     -8.68978901     -0.38107909
  H     -5.86487635     -7.17714182     -1.39818858
  H     -0.77655770     -7.16063735     -3.68838587
  O     -1.58504484     -7.17202466     -4.21771345
  H     -2.89640706     -6.60247633      2.24714780
  H     -1.98405208     -6.30376198     -4.07535448
          69
 Energy    -248.07312693804218     
  O     -1.09939256      0.20845550      0.98743781
  H     -0.82282327     -0.69533647      0.79430501
  H     -2.00052679     -2.14169972      4.00663413
  O     -3.01069657      3.51227948      1.75477220
  H     -0.51827562      0.55200707      1.67992813
  H     -4.49761593      4.15674465      4.63355648
  O      1.82093523      0.14710828     -0.95404596
  H     -3.19833786      2.56469134      1.81989480
  H     -3.60446167      3.65773903      3.47776861
  O     -3.10928086     -2.84142444      0.98587048
  H     -3.05396080      3.69307156      0.80546532
  H     -0.22343405      0.88681443      4.32400688
  O     -1.30405540     -0.37205807     -2.76917150
  H      1.13298614      0.79480320     -1.14234545
  H     -0.55828142     -0.31595003      5.21894545
  O     -3.52208521     -1.17554482     -1.35178571
  H      1.53098393     -0.67339496     -1.37099266
  H     -2.77240601      0.50199965      1.44186520
  O     -3.10328996      3.27448802     -0.97892730
  H     -3.63364647     -3.63844691      1.00653267
  H     -3.66286137      0.66832614      2.70620303
  O     -0.55017626      1.86861019     -1.16000988
  H     -3.06246569     -2.52059104      1.90340920
  H     -2.50260443      0.65373810      4.74350156
  O      0.57419230     -2.15495929     -2.10858235
  H     -1.09533496      0.49654222     -2.40736070
  H     -3.73049302      1.57822903      4.62414326
  O     -0.37322336     -2.45874650      0.50338588
  H     -2.11965238     -0.66496402     -2.33290336
  H     -0.87713017      2.56252819      5.40745458
  O     -0.29735284     -2.14672334      4.83944225
  H     -3.45600429     -1.68880747     -0.53874391
  H     -2.00024640      3.56856117      5.11016163
  O     -2.85961151     -2.01956849      3.58249356
  H     -4.11401712     -0.43650407     -1.16565479
  H      0.40590041      4.12301100      0.94185158
  O     -3.82487728      3.51685268      4.41310743
  H     -2.26968260      2.84132509     -1.19664887
  H      1.03544685      4.86530343     -0.24782935
  O     -0.72910404      0.62723114      5.11016235
  H     -3.77998588      2.58768779     -1.02883425
  H      0.77512676     -2.30648971      1.90357007
  O     -3.63994348      0.80653523      1.75154591
  H     -0.79032626      1.30263013     -0.40913567
  H      1.89556102     -1.35472570      2.36914333
  O     -3.44225358      0.66602050      4.50346878
  H     -0.09018755      2.64544235     -0.80787692
  H      1.43622364      1.11873254      2.43892130
  O     -1.04435818      3.49478695      5.22059291
  H     -0.11404116     -1.54561722     -2.43692206
  H      0.41424269      2.30391591      2.66789783
  O      0.70543542      4.01280555      0.02632460
  H      0.83905675     -2.69821102     -2.84494275
  H     -1.27420887      3.85093691      2.23205016
  O      1.31444679     -2.06131056      2.66945454
  H     -0.09143142     -2.48102213     -0.42035748
  H     -0.46251542      3.95301245      3.53947902
  O      0.58706083      1.36668820      2.82545578
  H     -1.29538021     -2.74037145      0.55938184
  H     -4.62618845      1.00299979      0.30640028
  O     -0.37594441      3.96572707      2.57528459
  H      0.01384470     -2.83242586      5.42419093
  H     -5.94738738      1.23045481     -0.46749102
  O     -5.00598622      1.12657703     -0.58141139
  H      0.32034437     -2.11952826      4.08640614
  H      3.71882703      0.34467159      1.56163868
  O      2.77682954      0.19994285      1.58213200
  H     -3.23365757     -1.22415706      3.97681102
  H      2.47634189      0.17810294      0.65603938
          69
 Energy    -248.07300630362698     
  O     10.74517285     10.76154719    -10.38918829
  H     10.08305770     10.72966988     -9.70388100
  H     10.90562474     11.07025046    -17.33409290
  O     14.66886532     10.51009441    -12.93082002
  H     11.56693800     11.07560768     -9.97073434
  H     13.48038039     14.15963657    -15.84918447
  O     16.74475521     14.12472543    -14.21439336
  H     14.61385262      9.82369704    -12.25509876
  H     14.44453652     12.94001427    -15.86099035
  O     15.94959666      6.80806403    -12.80959649
  H     15.58169758     10.82536990    -12.99034401
  H     14.11326681     13.54167192    -11.39780229
  O     10.81910205     11.99103039    -12.91222997
  H     15.88919171     14.11389321    -14.67007683
  H     14.60160955     14.67686257    -10.47080436
  O     11.86231555     14.51525028    -16.66783695
  H     17.32862070     14.63930680    -14.76760064
  H     17.28442534     10.72145032    -14.79601204
  O     14.71962837     11.34182524    -16.64189650
  H     15.93189127      7.09057078    -13.73591244
  H     16.85127308      9.43944246    -15.54131414
  O     15.23168245      9.79539542     -9.05362315
  H     16.80351995      6.40260199    -12.67671492
  H     16.03030019     12.56166397    -10.42179116
  O     13.42042099     12.91971893    -12.91545089
  H     10.66537763     11.63546558    -12.02841437
  H     16.31212360     11.13925662     -9.91724342
  O     13.58972603      9.32737661    -15.11366143
  H     11.70419767     12.38368421    -12.89869772
  H     10.55630001      9.85972889    -15.30122272
  O     13.06361892     11.61208410     -9.29134900
  H     11.48340581     15.31516197    -17.02166433
  H     10.89473853     10.44529244    -13.91350025
  O     10.11363114     10.68141085    -16.92198995
  H     11.16042562     14.07395371    -16.15590023
  H     14.94449641      8.22831324    -15.39797921
  O     14.25758299     13.78261856    -15.41931678
  H     15.64362505     11.11913155    -16.46042463
  H     15.77152695      7.26435528    -16.27697683
  O     14.49696383     13.73040935    -10.52505766
  H     14.20740810     10.66009336    -16.18363145
  H     12.17216253     12.88386569    -17.66227407
  O     17.11627770     10.35608576    -15.67509850
  H     15.49810622      9.23087197     -8.33286116
  H     13.18841493     11.72780750    -17.67868306
  O     16.69733388     11.86374237    -10.42399285
  H     14.93466746      9.21170265     -9.77379290
  H     11.33753404      9.21770802    -11.33677007
  O     10.93067864      9.63342156    -14.44046573
  H     13.67310653     13.29979034    -13.76624638
  H     11.40412265      8.69546930    -12.78229041
  O     15.78497909      7.74092493    -15.45019766
  H     13.82230263     12.03700387    -12.87300759
  H     17.18882697     11.67553985    -12.15245154
  O     12.29041494     11.96755926    -17.94143424
  H     13.99054969      9.75131260    -14.33680719
  H     17.08948257     12.50278700    -13.46721221
  O     11.72197184      8.52436015    -11.88850067
  H     12.63776559      9.33314711    -14.96045824
  H      9.85687683     12.28681429    -15.87441777
  O     17.18580283     11.60410845    -13.11881728
  H     13.77253268     10.98263649     -9.11044133
  H     10.14524080     12.79436967    -14.44726248
  O      9.97206272     13.08951434    -15.35133435
  H     13.49861707     12.41076852     -9.61357544
  H     14.87341497      7.74061309    -11.71323399
  O     14.36198352      8.36801014    -11.18365426
  H      9.55262324     10.38419638    -17.63335553
  H     13.42495366      8.30114592    -11.42378483
          69
 Energy    -248.07299802114392     
  O     -4.11321137      1.54578975      2.18729987
  H     -4.06009465      0.88348348      2.89724705
  H      2.33341522     -2.01730940      2.87676647
  O     -2.88491455     -3.72907521      6.92923599
  H     -4.59230346      2.29014600      2.54239695
  H     -1.10255153     -1.11008022      2.88939143
  O     -1.08363393     -0.56290439      4.61207626
  H     -2.07312904     -3.51737694      6.43975828
  H     -1.24655356     -0.48929501      1.47841138
  O     -3.80950041     -0.44325584      4.04284690
  H     -2.62599851     -3.89805548      7.83172202
  H     -3.42690921     -3.12106569      1.24238758
  O      1.99400269     -3.84562754      5.27636314
  H     -0.86357612     -1.44188674      4.95340607
  H     -1.97957623     -2.61261370      1.30558025
  O     -3.76551701     -5.43812484      4.79096405
  H     -0.26568092     -0.07978967      4.43685680
  H      1.53126523     -2.26379648      0.50948001
  O     -0.72152751     -3.23114361      5.29412868
  H     -2.88011387     -0.41359192      4.30569928
  H      0.53856000     -2.15142227      1.66564963
  O      1.11368807     -5.04069411      2.76862392
  H     -4.28523267     -0.92635570      4.73499591
  H     -4.41062628     -1.73449393      2.78591714
  O     -6.00273718     -4.12483208      4.01939810
  H      2.28973320     -3.05641879      4.78588971
  H     -5.31371962     -2.99011340      2.72433194
  O     -1.71354103      1.12931495      0.73951181
  H      2.72289947     -4.11964951      5.82560437
  H      1.41905619     -0.99083992     -1.89280665
  O     -1.33352284     -2.68028188     -1.45217701
  H     -3.49680776     -5.00242088      5.60862710
  H      0.23515104     -1.69074777     -1.20115669
  O      2.61232378     -1.71492524      3.75274355
  H     -3.01316836     -5.35706812      4.18831092
  H      1.19743241      0.84401866      2.74315944
  O     -1.05208934     -1.31151475      1.94765323
  H     -1.05424248     -3.72355309      4.52874184
  H      1.60021350      1.61420039      4.01830927
  O     -2.53165114     -3.32464513      0.93978133
  H      0.20984023     -3.46575038      5.39761631
  H      1.17082938      0.28075237      0.34889979
  O      1.36922881     -2.57771269      1.40528097
  H      1.51253224     -4.80631019      3.61439159
  H      0.09620972      1.24044986      0.86646705
  O     -4.80794914     -2.37471902      2.17972744
  H      1.26749161     -4.28098490      2.18956436
  H     -2.37054078     -1.01697859     -1.55058796
  O      1.07283323     -1.23077362     -1.03615305
  H     -6.76594122     -4.69540366      4.03566827
  H     -3.61439570     -0.29085764     -0.97718057
  O      1.25219284      0.77993902      3.71321001
  H     -5.23361931     -4.67337850      4.25831770
  H     -5.48309685     -2.77161263      5.29970457
  O      1.02324724      0.98374573      0.98920691
  H     -2.03773988      0.77349063     -0.10349512
  H     -4.31793057     -2.62703847      6.29547805
  O     -2.76356401     -0.14849196     -1.42189906
  H     -2.48706669      1.40076636      1.24661327
  H     -0.66515576     -5.04598514      2.96968869
  O     -5.00184786     -2.12673613      5.83294035
  H     -1.78075742     -2.99779381     -0.64987824
  H     -1.93613992     -4.40314867      2.34276561
  O     -1.58455721     -4.79814230      3.14974167
  H     -1.47621602     -3.34717338     -2.12003865
  H     -5.09090575     -1.13008760      0.77362018
  O     -5.01437036     -0.36245181      0.19302448
  H      2.25819682     -0.82258792      3.83819055
  H     -4.83956260      0.37910393      0.78480958
          69
 Energy    -248.07269451846491     
  O     -1.07897005      4.23906318      4.34037288
  H     -1.66487820      3.79731547      3.70498605
  H      2.85717495      2.49164996      2.86184964
  O     -3.79828178     -1.11416030      1.65791113
  H     -1.59768322      4.37382159      5.12942066
  H     -3.16594125      4.62867074     -0.49357476
  O     -1.81899021      4.37431067     -3.44249089
  H     -3.13636970     -0.70265273      2.22961723
  H     -2.49941705      5.13299144     -1.78152502
  O     -3.69563750      2.81632402     -0.02567042
  H     -3.29754373     -1.64436889      1.02613836
  H     -3.01888843      0.38167263     -2.08650963
  O      2.08546220     -0.56280409      2.36701317
  H     -0.88881660      4.56440628     -3.22113958
  H     -4.26517696     -0.09721147     -1.31543691
  O      2.62200885      2.79584261     -2.19018270
  H     -1.97672365      4.73397194     -4.31076822
  H      0.59818161      3.94243082      3.86999104
  O      0.03303260      2.89992199      1.16997108
  H     -4.38001842      2.13916880      0.04646453
  H      1.77402635      4.46547017      3.00896340
  O      0.59703490      0.90503149      4.31289579
  H     -3.09064474      2.51159881     -0.71767703
  H     -0.98686317      5.59328046     -0.17558158
  O     -5.34571061      0.54714369      0.15905179
  H      1.36832318     -0.69721003      1.72655266
  H     -0.02816175      4.53828162      0.41151892
  O     -1.60003889      0.18676219      2.80467377
  H      2.51761392     -1.40673783      2.47542525
  H     -2.96815818      2.84678973      1.61779802
  O     -0.04404253     -0.74957284      0.61487351
  H      2.96976590      3.16258840     -1.35560261
  H     -2.28195197      1.83953053      2.59953483
  O      3.38896439      1.97733787      2.24262346
  H      3.37582062      2.59124587     -2.73616326
  H     -1.98923884      2.71467041     -2.65952327
  O     -2.65809670      5.36409294     -0.85771441
  H      0.64805139      3.02765561      1.90097208
  H     -1.13504432      1.73093860     -1.80414544
  O     -3.53730677     -0.40562011     -1.86841234
  H     -0.84977278      2.84396152      1.55949052
  H      1.31228236      5.84368560      1.14365115
  O      1.45671961      3.69041093      3.49223549
  H      0.90841985      1.81227082      4.24980391
  H      2.36444536      6.72837157      1.85013029
  O     -0.06458255      5.44717325      0.07904307
  H      1.19649816      0.38022006      3.76485873
  H      0.36675600      1.94527185     -0.24865748
  O     -2.44165531      2.77926150      2.42591162
  H     -4.84909517     -0.03605374      0.76082674
  H      1.24175484      1.75337702     -1.51549849
  O     -2.03399565      1.92946310     -2.09939964
  H     -6.27113019      0.37987070      0.31523206
  H     -2.63390247     -1.61656626     -1.01979715
  O      2.09870955      5.82208791      1.71567035
  H     -0.94070547      0.40640538      3.47840722
  H     -2.23947101     -3.10260989     -0.84308147
  O      0.48447854      1.39318222     -1.03942969
  H     -1.09984561     -0.09148700      2.02550059
  H      3.11335787      4.55465996      0.61335131
  O     -2.16465668     -2.24268189     -0.43841762
  H      0.16029361     -0.07288152     -0.04702346
  H      3.53614886      3.09022448      0.84211840
  O      3.45457804      3.77640231      0.16224154
  H     -0.70194669     -1.34250662      0.23037498
  H      1.38190110      4.17777732     -2.54419694
  O      0.69329062      4.85129298     -2.58865561
  H      3.00930320      1.09072621      2.23073983
  H      0.54287438      5.14634909     -1.68063848
          69
 Energy    -248.07259391003223     
  O     13.87653521      1.65175071    -14.35131803
  H     14.54769930      1.45231411    -15.01277507
  H     18.81443624      5.48878874    -18.80344438
  O     19.83100810      8.20556908    -16.47111781
  H     14.24071093      2.34514062    -13.78352038
  H     15.23890559      4.78257296    -12.68199367
  O     14.35364863      3.85025314    -19.97353091
  H     19.09888185      8.83403710    -16.45573090
  H     15.35090035      4.05484509    -14.03798791
  O     18.68039492      5.35634565    -11.89165274
  H     19.69812054      7.62926308    -15.70650289
  H     17.35171025      3.11946240    -19.01153877
  O     17.23959590      8.36859454    -18.97219269
  H     13.87026750      3.42056772    -19.24513411
  H     15.94718550      2.80954029    -19.54321442
  O     14.65584393      6.53042138    -16.31528105
  H     13.82639941      3.73582780    -20.75966130
  H     19.03886256      6.14329883    -13.53394866
  O     18.78892137      4.18389096    -15.99884418
  H     19.16813854      5.26595673    -11.07740624
  H     19.04513934      5.62254537    -14.99346881
  O     15.77953229      1.72329438    -16.61199813
  H     18.39354927      4.46230865    -12.14896997
  H     17.41028962      7.27559173    -14.64742909
  O     17.66159759      2.95506833    -12.69610301
  H     18.11274074      7.98446021    -19.11562097
  H     16.77584301      8.52977430    -15.28133786
  O     17.37584538      9.69772501    -16.60431667
  H     16.61602217      7.63248053    -19.03382191
  H     12.33342168      4.53290456    -15.02126372
  O     16.01946864      4.23363769    -15.65193076
  H     15.24464894      7.03682566    -15.73729771
  H     13.38086163      4.92732697    -13.97401893
  O     18.17057371      4.79848552    -18.59872569
  H     13.90774319      6.21447794    -15.78685193
  H     12.62367422      2.69261180    -17.16820313
  O     14.99724992      3.96126237    -13.13746818
  H     18.65405053      4.31495453    -16.94973334
  H     14.01822273      2.10975824    -17.45048902
  O     16.70186390      2.40939668    -19.09358368
  H     18.76946368      3.23995419    -15.80539372
  H     18.61433060      0.67127353    -15.24837403
  O     19.03536958      6.42839171    -14.45553966
  H     15.76498137      2.63867865    -16.28164127
  H     17.35236443      1.44731748    -15.68041720
  O     16.57707039      7.76119395    -14.73084892
  H     16.13119459      1.78398175    -17.51492396
  H     15.21683707      6.26009023    -17.99142810
  O     12.83346160      5.28512622    -14.68074558
  H     17.86317620      2.42188610    -13.47245328
  H     15.15764132      5.37115329    -19.27292653
  O     13.26929394      2.54715525    -17.86988090
  H     16.71711979      3.15033350    -12.73696390
  H     16.90466775      6.14428009    -12.02592754
  O     18.18158894      1.51967656    -15.18305075
  H     17.20282286     10.62637862    -16.73277979
  H     16.06571032      6.96424851    -13.02451161
  O     15.67586077      6.04535399    -18.81708460
  H     17.25460587      9.26721826    -17.46974357
  H     19.89151026      7.43920635    -18.03801504
  O     15.99735519      6.35580208    -12.27804984
  H     16.97214341      4.36862890    -15.71862561
  H     20.60197077      7.26873949    -19.40173775
  O     19.80486962      7.04971892    -18.92692758
  H     15.56630493      5.02257457    -15.97477423
  H     10.87122391      2.40930099    -15.27599162
  O     11.69977853      2.80603860    -15.53205851
  H     17.29964836      5.22142959    -18.63744651
  H     12.40165871      2.32099073    -15.06270964
          69
 Energy    -248.07250852905344     
  O     12.65154048      4.40684549    -11.68449229
  H     13.30177373      4.26317282    -12.38449721
  H     17.32606334      8.43864884    -10.81901148
  O     15.87148209     10.67730343    -14.31619404
  H     13.15557625      4.60853390    -10.88803507
  H     15.46434059      7.78855374    -11.84508275
  O     18.40121692      8.39551088    -13.75135287
  H     15.86366691      9.85304963    -14.81736316
  H     14.06165273      7.76196560    -11.18999811
  O     17.48265311     10.24362086    -10.29681577
  H     15.07334832     10.69593595    -13.76962896
  H      9.66802912      5.23957842    -12.16738606
  O     11.05448534      9.97036161    -12.89184906
  H     17.62331224      8.29048919    -14.32303776
  H     11.20637258      5.29168977    -12.02757675
  O     16.75490705      3.23782580    -15.21400315
  H     18.46386694      9.32905638    -13.52157274
  H     20.69261405      6.19152092    -14.37497390
  O     11.22672857      7.63471651    -14.24390750
  H     17.69143025     10.61200518    -11.17001730
  H     19.37963855      6.92993126    -14.03209815
  O     16.43581728      4.99040076    -11.30665700
  H     18.09758661     10.63353308     -9.67932364
  H     14.13160549      5.85805404    -14.30302865
  O     14.62965261     10.28158462     -9.74991457
  H     10.32002055     10.48577060    -13.21373764
  H     14.02475246      7.19652442    -13.56777812
  O     17.64217580      5.80042683    -16.19394705
  H     11.10370375      9.17272047    -13.45020902
  H     18.53714295     11.87052568    -13.21609895
  O     13.77704953     10.47990388    -12.48007539
  H     17.36488072      3.35794254    -14.46294600
  H     17.26271360     11.01330725    -13.41027822
  O     17.22886139      7.64355025    -11.35633155
  H     16.92000796      2.36846694    -15.56864154
  H     16.68032928      7.30002523    -15.82352328
  O     14.52103367      7.86316217    -12.03320156
  H     10.88240380      6.97058531    -13.63275120
  H     15.35366858      7.63661601    -15.11780938
  O     10.41474418      5.83119004    -12.20261020
  H     12.11481936      7.33635762    -14.48108815
  H     17.77594745      4.16050389    -12.36746049
  O     19.76039529      6.05686233    -14.22230920
  H     15.76244015      4.94970576    -10.61649160
  H     18.88136808      4.59225417    -13.36825858
  O     13.89099864      6.78360120    -14.43660950
  H     16.79190105      5.88950935    -11.27130345
  H     10.98597152      8.85052529    -11.30680352
  O     18.08704232     11.09489409    -12.89272042
  H     15.58667540     10.32257228     -9.85313253
  H     10.73765182      7.34338139    -11.12133472
  O     16.20391143      8.01664076    -15.37777950
  H     14.27031627     10.55337489    -10.60495895
  H     15.33796429      3.85149606    -14.16541876
  O     18.33379127      3.84672566    -13.09121624
  H     17.24852878      4.93968222    -16.00621178
  H     15.37310066      4.57974438    -12.80046950
  O     11.02047881      8.14065253    -10.65502776
  H     18.44913565      5.82679121    -15.66676858
  H     14.19290508      4.79687872     -8.57786978
  O     14.78521099      4.30625324    -13.51909821
  H     12.82603526     10.44709260    -12.64364167
  H     14.00177652      6.10965219     -9.36882047
  O     14.28893582      5.18337909     -9.44495698
  H     14.05615679      9.55949026    -12.35340237
  H     13.85077987      8.65591920     -9.39188354
  O     13.43854174      7.78342030     -9.46853236
  H     17.68491729      7.82318827    -12.19014362
  H     12.52502926      7.91438783     -9.77055688
          69
 Ord_Energy   -248.072235    
 O   -4.99864721       6.60382080       2.91846347    
 H   -5.57074928       6.49767494       2.14945507    
 H   -4.58360767       5.73685265       3.04742908    
 O   -6.78968334       5.78412867      0.901992857    
 H   -6.55651999       4.84127140      0.837496102    
 H   -6.94978142       6.08600473       1.14991404E-02
 O   -4.88409185       7.98887920       6.89469910    
 H   -4.20521498       7.86585903       6.20690393    
 H   -4.73544502       8.85030651       7.27547169    
 O   -8.67845535       5.95084190       3.05399132    
 H   -8.09065819       5.96772003       2.28716803    
 H   -8.20757866       6.40293503       3.76477718    
 O   -4.48365545       2.41598439       7.96470118    
 H   -3.81678462       2.15140843       7.32023954    
 H   -4.39047194       3.37075305       8.06835079    
 O   -7.94834232       1.22859657       1.87617803    
 H   -8.65289021      0.788950861       1.40622914    
 H   -8.35848999       1.93644571       2.40148759    
 O   -6.91613770       1.29413319       8.46394634    
 H   -6.04529667       1.68642759       8.27910805    
 H   -6.83593464      0.844342828       9.30150604    
 O   -3.54116845      0.675699115       3.84003735    
 H   -4.45650864      0.370461047       3.91253448    
 H   -3.47364640       1.10455072       2.97986436    
 O   -6.83115530       4.57494736       6.52998018    
 H   -7.01634645       5.37768173       6.02519321    
 H   -7.62250042       4.27764225       6.99935389    
 O   -6.12350893       3.13807154      0.736706972    
 H   -5.22955656       2.80886078      0.888322771    
 H   -6.71761465       2.44685102       1.05062556    
 O   -2.52988124       4.66094685       5.75891590    
 H   -2.33432746       3.72162342       5.87327814    
 H   -3.17073560       4.88483620       6.45054531    
 O   -3.89674973       4.15412426       3.42608547    
 H   -3.35169911       4.33389139       4.20280123    
 H   -4.70850468       3.72460461       3.74273300    
 O   -2.43904233       1.84768867       6.03253603    
 H   -1.71675444       1.28558111       6.30220652    
 H   -2.83329630       1.42998803       5.24688959    
 O   -6.28164101      0.241158351       4.01762486    
 H   -6.81809139      0.421450764       3.23695850    
 H   -6.88837147       6.97984472E-02   4.75535345    
 O   -10.0990248       2.02755857       5.57695293    
 H   -11.0330410       1.99770403       5.38563204    
 H   -9.67721844       2.50560236       4.84389544    
 O   -8.85557938       3.29608798       7.81775141    
 H   -8.25814533       2.61006784       8.14554882    
 H   -9.38827515       2.87925053       7.12918091    
 O   -3.11271811       7.38114357       4.91640139    
 H   -3.65520453       7.25102472       4.12713003    
 H   -2.71259308       6.52695560       5.12022305    
 O   -6.81804800       6.92561054       5.03833103    
 H   -6.19378424       6.81292295       4.30590820    
 H   -6.33293438       7.40701532       5.71926546    
 O   -4.46701860       5.25803375       7.67805767    
 H   -5.31618547       4.95507622       7.31552362    
 H   -4.52380133       6.21942377       7.65415049    
 O   -8.00677872      0.143171206       6.10897684    
 H   -7.62017345      0.461701602       6.93482971    
 H   -8.78868484      0.686004281       5.95241737    
 O   -6.12563419       3.00394964       4.43853283    
 H   -6.10634661       2.04139113       4.50066757    
 H   -6.31648493       3.39986587       5.30174875    
 O   -3.47179556       2.33955574       1.46859384    
 H   -2.68404698       2.49558449      0.953323424    
 H   -3.51856828       3.05057001       2.13337445    
 O   -8.72053242       3.27247715       3.54300070    
 H   -7.80064344       3.21039057       3.84290385    
 H   -8.87012386       4.20733690       3.34387279    
          69
 Energy    -248.07218015579153     
  O     12.79216124      3.06255275    -10.11652200
  H     12.40525046      3.26707165    -10.97929639
  H     16.97668773      5.54097836    -13.13689059
  O     18.15089207      6.71012067    -10.64999572
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  H      9.74685622      6.48208991    -13.96772107
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  H     17.70163549      5.99770307    -10.16967815
  H     11.28586361      6.56391207    -14.04961351
  O     14.92294264      8.04207808    -16.59597130
  H     18.10807097      6.49498229    -11.58707368
  H     13.21563151      5.28164619    -11.93099361
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  H     13.23941210      8.85506385    -12.16351948
  H     13.82788561      6.71887240    -12.06663487
  O     14.24900485      6.19567978     -8.94245609
  H     14.64100700      8.61302055    -12.82107190
  H     14.50516850      2.67403436    -10.29723322
  O     16.67993523      4.82125556     -9.26420682
  H     15.19584358      8.87391965    -16.18108098
  H     15.59979621      1.59346269    -10.16468352
  O     12.83041559      6.85380630    -14.94015238
  H     14.08531453      7.78667307    -16.19586291
  H     13.19521183      9.34437160    -10.09557053
  O     16.81028008      6.15663923    -16.22670842
  H     17.95429809      9.71846776     -9.77922514
  H     12.07977360     10.36329444    -10.44129686
  O     11.60305399      5.27559138     -8.69301595
  H     17.62425847      8.29378766    -10.28509437
  H     11.35968808      7.91372640    -10.61447000
  O     15.91075594     10.23672477    -15.21842389
  H     14.20524491      6.06330660     -9.90322491
  H     10.71865752      6.89645731    -11.58088512
  O     17.43396722      6.33571457    -13.44850246
  H     13.39419711      5.89673097     -8.61287968
  H     16.72628591      9.10766672    -11.96455945
  O     10.54230068      6.38631365    -13.44959807
  H     15.89049086      5.29527477     -8.96993929
  H     16.79229130      8.00402492    -13.05953586
  O     13.95341263      5.84869632    -11.66891374
  H     16.35716597      3.98325950     -9.61315941
  H     14.53089876      7.99697739     -9.00361606
  O     15.44775046      2.48861074    -10.45541135
  H     13.41786973      6.08701499    -14.96827428
  H     15.52323790      9.07013940     -9.51069872
  O     12.41201746      9.49660232    -10.65717400
  H     13.16451590      7.45019983    -14.24987019
  H     15.23964485      4.85131610    -12.25870407
  O     10.89503974      7.06818890    -10.64915332
  H     17.34968793      6.05383668    -17.00575605
  H     15.86429080      3.47032331    -12.02366538
  O     16.42797106      8.87701789    -12.85286010
  H     16.17640352      6.87296891    -16.41524322
  H     12.12416036      3.58388483    -13.34748297
  O     14.61021555      8.93403428     -9.23301068
  H     11.31708164      5.88782815     -9.39386641
  H     11.28646204      4.77681010    -12.82270737
  O     15.84966521      4.20257990    -12.64884655
  H     10.90353708      5.25928381     -8.04537263
  H     13.36023006      3.43470952    -15.13362482
  O     11.91608287      4.09797040    -12.55376745
  H     16.36565384     11.07293131    -15.27649624
  H     12.76681468      2.03497372    -15.37142122
  O     12.61524394      2.85454432    -14.90798814
  H     16.17034575      9.84731058    -14.36889524
  H     15.39723595      5.06863696    -15.61999236
  O     14.68549354      4.65646224    -15.11696111
  H     17.37331340      6.30961993    -14.41134114
  H     15.07271991      4.39947372    -14.26662646
          69
 Energy    -248.07196136756426     
  O     17.47475464     12.26047399    -16.31471825
  H     17.81918322     13.00177707    -16.80558619
  H     16.00747922      4.86379808    -15.49816852
  O     14.68903806      7.32500664    -13.43558452
  H     16.57186361     12.50364457    -16.04313216
  H     16.36072294      8.17796678    -17.47182487
  O     18.69520988     11.00476178    -13.99815613
  H     14.23677752      7.55357511    -12.61638008
  H     16.51282568      6.71839880    -17.95477582
  O     20.08450364      6.84030710    -16.83912106
  H     14.83833208      8.15518150    -13.91574270
  H     14.54871695     10.01827688    -15.28309125
  O     13.56373344      8.73410104    -18.46851271
  H     17.96471512     11.06545233    -13.36718496
  H     16.00301172      9.52252156    -15.44636892
  O     16.01796368      9.19336434    -10.52782603
  H     18.41144792     11.53139093    -14.75460256
  H     12.10110106     10.10999178    -13.42238431
  O     11.23080762      9.45883582    -14.96889358
  H     19.79077157      7.41469768    -16.11328385
  H     12.87313001      9.79453348    -12.11919571
  O     14.06774459     12.78520232    -12.88010087
  H     21.03758905      6.84411568    -16.80669915
  H     17.95668621      7.04774791    -11.80496024
  O     13.53761709      8.36661245    -11.09460962
  H     14.37902489      8.23276904    -18.29818195
  H     19.08720086      7.43248164    -10.83996897
  O     17.96182012      5.54102682    -17.95653962
  H     13.45946737      8.77241950    -19.41599316
  H     13.38036374     10.12988767    -17.20558348
  O     14.39010323      5.90856009    -15.78544311
  H     16.18778179      9.88575304    -11.18048715
  H     12.48885060     10.42149491    -15.97110550
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  H     16.76910485      8.58617766    -10.56942029
  H     19.01371285      9.30703801    -14.46751753
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  H     10.27915528      9.50439633    -15.01628256
  H     18.45314599      7.84242076    -14.34335443
  O     15.27423183      9.58579413    -14.81706401
  H     11.49136825      8.63618521    -15.41995526
  H     17.37493497      5.87436261    -14.08666461
  O     12.59667367     10.51399684    -12.70063418
  H     13.67254052     13.45219419    -12.32549954
  H     16.46732337      6.89589071    -13.36859565
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  H     13.50468604     11.99260286    -12.80901025
  H     17.95011180      9.13096560    -16.17456440
  O     13.27352859     10.72054972    -16.44897251
  H     14.42409415      8.66145453    -10.81172850
  H     17.38322331     10.46817992    -16.74488584
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  H     13.13207248      7.94830341    -10.34062723
  H     15.63619887     11.76789375    -12.56297039
  O     17.39154331      6.64134813    -13.49682193
  H     18.74703896      5.99666566    -17.60595773
  H     15.93111389     10.49961005    -13.37056439
  O     17.27556617      9.50832005    -16.75816939
  H     18.27182172      4.92608908    -18.61642281
  H     14.28323054     12.24176642    -16.01430383
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  H     14.89685914      6.45207010    -16.40419892
  H     14.64452232     12.93217756    -14.68707717
  O     14.91379832     12.85278635    -15.61060005
  H     14.44847458      6.33702071    -14.91697491
  H     12.72074798      6.70720702    -16.17502732
  O     12.05518274      7.34833214    -16.45617317
  H     17.34577175      4.84968132    -16.24937976
  H     12.42669832      7.76822252    -17.24132074
          69
 Energy    -248.07191805410559     
  O     11.74674747     10.06682769    -14.37302970
  H     11.69542909      9.32183235    -13.76309691
  H     21.17964731      6.78022942    -14.30368704
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  H     11.82296368      9.68188166    -15.25583650
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  H     17.29647107      6.12867191    -12.28131453
  H     14.49985633     10.98408784    -15.90644808
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  H     14.60961472      7.39671742    -14.46330335
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  H     11.12630398      7.07563699    -12.60059838
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  H     12.27683480      7.21465297    -13.61836066
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  H     15.44274198      4.61579583    -15.74373109
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  H     13.00265020      8.32076910    -11.48381224
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  H     14.24627918      9.23645414    -11.46651747
  O     14.92348939      5.15690467    -16.35187390
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  H     13.03605338     11.24415934    -14.27019645
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  H     16.63720804      2.96657139    -14.12538096
  H     13.55501838     12.70154413    -14.18194345
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  H     19.71880291      6.45774810    -14.69574180
  H     13.25636821      9.40870849    -16.87467468
          69
 Energy    -248.07180926679786     
  O     -6.05339904      1.33442041      0.32068097
  H     -5.49897777      2.10829904      0.13961062
  H     -0.22467250      4.47620136      1.68000877
  O     -5.80621716      1.43612444      3.12899600
  H     -6.47286142      1.11163633     -0.51734085
  H     -4.45274793      3.26342672     -1.37064936
  O     -0.17716660     -1.33889454      2.22823040
  H     -6.04141473      1.46613003      2.19207980
  H     -3.56231245      2.85890695     -0.15523210
  O     -1.86268405     -0.77177144      0.06324008
  H     -5.36916547      2.27153877      3.33240912
  H      2.35782219      1.20628134     -1.70746294
  O     -2.87825807     -1.67363908     -3.58199325
  H      0.21412800     -2.14080343      2.56321487
  H      1.41965928      1.05811225     -0.48578787
  O     -4.52342734     -1.00697189      0.73031683
  H     -0.83748899     -1.04889764      2.88429193
  H     -0.98880853      3.18528910     -1.95048899
  O     -0.89765401     -0.12552724     -2.41331500
  H     -2.78164142     -0.94318257      0.31321014
  H      0.34805979      2.74435818     -1.31371686
  O     -4.89090095      2.65513547     -3.11528845
  H     -1.28916115     -1.07026840      0.77975655
  H     -4.37457307     -1.58025202     -2.55636887
  O      1.26098678      0.91715594      1.22654085
  H     -2.11693631     -1.15902809     -3.27332445
  H     -4.90909662     -1.52699989     -1.09386892
  O     -2.08230800     -0.42422398      3.87451688
  H     -2.55994140     -2.19686007     -4.31352643
  H     -2.15768187      2.20059788      2.24095809
  O      0.50478980      3.10072360      2.90215551
  H     -4.62024403     -1.19689850      1.67104911
  H     -2.83262329      2.81441582      3.50003277
  O     -0.73217974      5.00294666      1.05329071
  H     -5.00294041     -0.18000982      0.57823530
  H     -5.19370890     -0.14594398      3.46897056
  O     -4.34846668      3.36411191     -0.41779784
  H     -1.24802057     -0.41733311     -1.55666428
  H     -5.41845440     -1.53801637      4.10645792
  O      1.43970848      1.19252087     -1.45106220
  H     -0.03633210      0.26468506     -2.22415830
  H     -1.47780020      2.44103283     -0.03258208
  O     -0.39149415      3.35360170     -1.20470813
  H     -5.27671523      3.20193088     -3.79645314
  H     -2.02858910      1.02185867      0.30961655
  O     -5.17056466     -1.45913908     -2.01925802
  H     -5.53542666      1.95773413     -2.92025960
  H     -2.53029932      5.19916017      1.40339092
  O     -2.08645730      2.27911571      3.20583659
  H      0.82624816      0.15117672      1.61980182
  H     -3.86906627      4.71078336      0.79866788
  O     -4.82895069     -1.04763250      3.54013026
  H      1.06216010      1.67268504      1.79311144
  H     -7.57344666      0.40452243     -2.72733775
  O     -2.15175711      1.96490470      0.47141493
  H     -3.00328126     -0.70672154      3.82944012
  H     -6.17994170     -0.12723080     -2.31045720
  O     -3.48551984      5.16719194      1.55851753
  H     -2.08946141      0.53401059      3.74005589
  H     -4.08062771      4.37364243      2.95120905
  O     -6.72649875      0.67802825     -2.38655257
  H     -0.40124924      2.82825000      3.12679756
  H     -4.61436056      4.44125482      4.40189117
  O     -4.35505736      3.83289845      3.71554014
  H      0.91840983      3.37545798      3.71699940
  H     -1.75229307      1.47876565     -2.99467019
  O     -2.03105504      2.38826290     -3.16485599
  H     -0.56090242      4.60294300      0.18974261
  H     -2.99197985      2.37859588     -3.22306002
          69
 Energy    -248.07163463359217     
  O     13.89339912     10.92039090    -15.39881275
  H     14.40386382     10.13477046    -15.14800305
  H     18.97483918      5.30178633    -14.44046312
  O     14.59634927      6.78658224    -13.13133681
  H     14.52332289     11.65129393    -15.40456461
  H     16.93241394     10.41160458    -17.40107252
  O     17.96107343      9.43535785    -11.48398786
  H     13.97638130      7.16065943    -12.48824065
  H     18.18486518     10.74249721    -16.55806739
  O     19.63932875      9.75406911    -15.89803556
  H     15.42985972      6.65745115    -12.66042395
  H     15.21873502      8.19113553    -14.04479398
  O     12.78417712      7.15888984    -15.34336642
  H     17.83904727      9.53721168    -10.53170816
  H     16.34785284      8.56101334    -15.04577385
  O     14.68517588     10.16523885     -8.85357694
  H     17.41354860     10.10402705    -11.91868395
  H     12.59635454     11.20339289    -14.23242596
  O     12.96724426      8.08794728    -11.30840863
  H     20.51533019      9.84803457    -16.26315515
  H     11.36624848     12.02211325    -13.77138456
  O     16.24956457     11.06618981    -12.91679225
  H     19.75278623      9.47748505    -14.97086879
  H     16.59144288      6.67343314    -10.05205330
  O     16.17716093      8.81685952    -18.20576357
  H     12.11822144      7.60485514    -14.79981564
  H     16.78126400      7.70891595     -8.92756433
  O     13.71546970      7.46911617     -8.67870148
  H     13.41128475      6.79111885    -14.71153488
  H     11.64240974      8.26515745    -12.66462726
  O     17.67479988      7.74819888    -16.13041670
  H     14.34283536     10.49358776     -9.69552049
  H     11.30722284      9.48962591    -13.51689537
  O     18.65507933      6.13832606    -14.11165027
  H     14.23825518      9.32505473     -8.69082656
  H     19.28282178      9.01422497    -12.69350658
  O     17.36451353     11.11636865    -16.90408131
  H     13.29814569      8.99564101    -11.36192409
  H     19.59407267      7.76947829    -13.55160075
  O     15.65860902      8.93160661    -14.48533127
  H     13.10564538      7.79692162    -10.39933353
  H     17.34310439      7.71261054    -11.75957330
  O     11.96620835     11.33121516    -13.50247616
  H     16.26996174     11.79329154    -13.54820989
  H     17.64097635      6.42645852    -12.56556824
  O     16.32553141      6.88712053     -9.14803751
  H     16.07492882     10.26966646    -13.44665779
  H     17.73137761      9.95620398     -7.99970645
  O     11.19783223      8.53311946    -13.47988077
  H     16.16677777      8.67600405    -19.14837319
  H     16.39382159      9.85378503     -8.77250917
  O     19.82487569      8.69767800    -13.42925887
  H     15.24747289      8.79832569    -17.91244415
  H     13.14712403     11.05324174    -12.07460139
  O     17.08801320      6.78390138    -11.86061096
  H     14.63103244      7.17186418     -8.82868797
  H     14.68663447     10.92248776    -11.93848310
  O     17.32389820      9.56295094     -8.76647224
  H     13.35765334      6.92438393     -7.98332160
  H     16.54678552     12.20380380    -15.84269121
  O     13.85026937     10.75496585    -11.48377236
  H     18.39311245      8.39611248    -16.11352389
  H     16.19133419     13.65836976    -15.45110420
  O     16.04399340     12.74844426    -15.20914298
  H     17.14713086      7.94775906    -16.91558393
  H     13.32612804      8.18140117    -16.71394066
  O     13.64631725      8.86243127    -17.32653476
  H     18.24075816      6.59372706    -14.86336484
  H     13.52837385      9.69967560    -16.86394655
          69
 Energy    -248.07156760510554     
  O     16.30438351      8.69986597    -15.99982680
  H     16.98549243      8.56898432    -15.32496419
  H     15.31666310     12.55826325     -9.95671232
  O     14.83234480     10.99820409    -14.81894864
  H     15.62968495      9.24926693    -15.58754857
  H     18.01911240     16.07321229    -13.26218816
  O     20.06246366     11.20599651    -11.30415054
  H     14.59738894     10.60000341    -13.96757952
  H     18.65457836     17.26482554    -12.51139458
  O     14.72132923      9.93452343    -12.29818437
  H     15.77432647     11.21617340    -14.74082748
  H     20.26707701     11.56406958    -16.04855622
  O     17.85006113     10.02315426    -10.10759269
  H     20.26320217     12.12339240    -11.51614904
  H     21.35335076     12.26166389    -15.20442257
  O     18.15857921      8.72568191    -13.90644548
  H     20.36213733     10.67734630    -12.05411100
  H     17.21467245      8.70571400    -10.99430716
  O     14.87328172     11.69468918    -17.56649476
  H     15.31633649      9.20026722    -12.10785582
  H     16.68109423      7.25225550    -11.06796999
  O     17.76319449     14.58507819    -16.57809846
  H     14.95865237     10.62302828    -11.66381348
  H     15.00751392     13.41229390    -17.59907308
  O     20.16635936     13.95318691    -12.24776833
  H     17.15782583     10.69415342    -10.08655468
  H     14.55453580     14.78829521    -18.14553490
  O     18.59130036     11.94920570    -16.76695845
  H     18.64614548     10.45334508    -10.45322536
  H     19.29555184     15.47422347    -15.98607809
  O     17.10209185     10.03622209    -18.21809300
  H     19.09867921      8.87389919    -13.74267374
  H     19.69400859     16.17642566    -14.66667945
  O     15.75748517     11.92491966    -10.51717856
  H     17.74865704      8.41001132    -13.08920810
  H     17.15422117     14.92398784    -14.88755996
  O     18.85979998     16.43385720    -12.93261886
  H     14.70812559     11.39125699    -16.66383603
  H     15.81139418     14.79365199    -14.14192868
  O     21.03164816     11.39537913    -15.48300854
  H     15.58794055     11.14494020    -17.90915207
  H     21.21892981     14.61359368    -14.97813624
  O     16.81020898      8.04255722    -11.58456693
  H     18.10093000     13.68854886    -16.71968005
  H     22.68918169     14.29096537    -14.62139873
  O     15.09382392     14.37560847    -17.47637085
  H     16.88723222     14.61679040    -16.98321522
  H     21.61201791      9.04291087    -13.50078020
  O     20.05200720     15.80076920    -15.47996486
  H     20.76662009     13.85725921    -12.99900952
  H     20.90479594     10.19238891    -14.25851421
  O     16.72121606     15.10984277    -14.04182001
  H     19.81511627     14.85010453    -12.31722231
  H     17.74749820     10.48129040    -14.09916140
  O     21.80002597     13.95043771    -14.56448520
  H     18.17383168     11.32661776    -17.37370123
  H     17.56565461     11.92827273    -13.52956108
  O     20.80592880      9.55157183    -13.53101129
  H     18.21472409     11.77168815    -15.88875612
  H     14.37451123     12.93704677    -14.67000535
  O     17.51956108     11.39247627    -14.32923825
  H     17.24172648      9.45828579    -18.96313732
  H     14.47724976     14.11374796    -15.65765506
  O     14.37696344     13.89957236    -14.72068761
  H     16.85224180      9.47036712    -17.46510967
  H     17.14781450     13.87056361    -12.82441198
  O     17.47211445     13.19767850    -12.20947261
  H     16.35304142     12.42952360    -11.09744616
  H     18.42331753     13.33770378    -12.11799297
          69
 Energy    -248.07125729843401     
  O     18.56368038     10.39825783    -14.05372366
  H     18.95079013     11.28061583    -14.03163757
  H     12.22868795     10.71873631    -12.63692656
  O     13.48055697      8.14444358    -11.12203103
  H     17.84550926     10.37934828    -13.40281568
  H     18.83124248      6.61421572    -12.86597001
  O     19.49976426     12.96664495    -13.62191745
  H     13.44579629      8.91709122    -10.54543232
  H     17.45782633      6.31244988    -12.24082135
  O     11.74601039      8.97378729    -13.21352638
  H     12.84811611      8.32695989    -11.82875977
  H     15.05477206      7.58928793    -11.64497092
  O     17.14514010      9.14187580    -16.06354248
  H     19.94157695     13.66416829    -14.09732601
  H     15.82943203      7.28810943    -12.96957572
  O     19.85857009      8.03601277    -13.55965325
  H     18.61690211     13.30091805    -13.37770707
  H     18.63355419      6.23593179    -15.86782557
  O     20.19955153      8.96485455    -10.99743116
  H     10.88082343      8.65621183    -13.45710846
  H     18.51882145      7.71426157    -16.28285405
  O     13.44157328      8.61943920    -15.27943854
  H     12.32229551      8.83683205    -13.98663666
  H     18.50955533     12.66487279    -10.29793960
  O     17.03474783     13.68559290    -12.77228165
  H     17.69813473      9.62239790    -15.42983377
  H     17.98512899     13.82476067     -9.41550027
  O     14.91440480     10.90254255    -16.21299134
  H     16.41689226      9.73722468    -16.27868556
  H     16.36144486     10.49974916    -11.46325543
  O     14.90441097     12.02675787    -13.70495736
  H     19.81786207      7.59989226    -14.42236898
  H     16.22538245      9.23369947    -12.33116159
  O     12.61379910     11.53239016    -12.28670660
  H     19.45670950      8.90572344    -13.70789404
  H     19.89717186     12.15014915    -11.91745148
  O     18.24252082      5.89062715    -12.61203985
  H     20.18074256      8.58061037    -11.88885238
  H     19.98486637     10.87178922    -11.03845885
  O     15.93927746      7.44886850    -12.02006667
  H     20.95094671      8.57745997    -10.55297432
  H     16.71116488     10.08245695     -9.53954032
  O     19.15476290      7.02957665    -16.04134850
  H     13.86249589      9.39453187    -15.66878556
  H     16.69063236     11.65921142     -9.64299625
  O     17.70346844     13.12306804     -9.99647919
  H     14.14790991      7.97705024    -15.13063181
  H     16.20138811      6.27675252    -14.95506381
  O     16.42071459     10.17797487    -12.37107628
  H     17.06645779     13.55534529    -11.81719584
  H     16.26600156      7.80463869    -15.20993576
  O     19.83660628     11.82408961    -11.01100009
  H     16.23720812     13.24867942    -13.09716513
  H     18.48510442      8.65011588    -10.18988088
  O     16.14531346     10.86245283     -9.65224211
  H     14.62395721     11.52330566    -16.87659494
  H     17.09069236      8.04409115    -10.44988857
  O     15.75345066      7.11078695    -14.76879597
  H     14.90407311     11.37639224    -15.36402082
  H     14.40048913     10.74291966     -9.62010164
  O     17.60136615      8.55635650     -9.81322498
  H     15.43465667     11.33259966    -13.28471698
  H     13.07793526     10.78358227     -8.82175937
  O     13.43840690     10.61960955     -9.68947813
  H     14.04186312     11.99291157    -13.26506874
  H     17.48267809      3.95934218    -15.09888500
  O     17.48026933      4.91018267    -15.03522789
  H     12.84835686     11.32886595    -11.37284673
  H     17.79006402      5.13530291    -14.13917484
          69
 Energy    -248.07119535734211     
  O      2.92085638     -2.19781049     -2.86323413
  H      2.61184470     -2.82223013     -2.19630379
  H      0.15192940     -1.24921874     -0.16282859
  O     -1.36005931     -1.70404818     -1.13582773
  H      2.35815311     -2.31802945     -3.64050864
  H     -5.75412011     -2.22040095     -5.31273705
  O     -2.27985665      1.11084711     -4.71625949
  H     -1.21307935     -2.65321039     -1.24141020
  H     -5.25093295     -1.49778058     -6.56465161
  O     -4.97865386      0.54495843     -3.89258967
  H     -2.28489402     -1.53203115     -1.36062949
  H     -0.65341337     -0.78245021     -2.56287070
  O     -2.00881493     -0.75319497     -6.63733634
  H     -3.15245368      0.98997058     -4.32240192
  H      0.57098880      0.09911236     -2.89630722
  O      2.23662131      0.30555352     -2.03404640
  H     -1.62603307      0.72468153     -4.11758795
  H     -4.81864922     -2.94015324     -1.79527322
  O     -4.11934417     -1.93236554     -8.03972506
  H     -5.68461200      1.17958115     -3.80373095
  H     -4.56013805     -4.45018994     -1.60766035
  O      0.98472487     -2.21948688     -4.90827163
  H     -5.26326264     -0.09600630     -4.56868357
  H     -1.47332960     -6.91445851     -6.49394194
  O     -3.64845844     -6.17871774     -4.33577875
  H     -2.14223673      0.00929335     -6.05480785
  H     -2.41404102     -6.15049252     -5.52977919
  O     -2.67833441     -2.60803174     -4.52034227
  H     -2.81399809     -0.93034345     -7.13801183
  H      1.62807110     -2.80819150     -0.25711967
  O     -3.11540167     -5.74162350     -1.52907450
  H      2.94611266      0.93794358     -2.10517370
  H      2.46203068     -4.08018215      0.02698906
  O      1.07513065     -1.18991911      0.12360923
  H      2.58806196     -0.55085825     -2.33844622
  H     -3.39112769     -1.84822792     -3.04886921
  O     -5.69586726     -1.34647182     -5.72292481
  H     -3.50147338     -2.68372677     -7.99502595
  H     -4.29677544     -0.66977654     -2.65211390
  O     -0.23534462     -0.27591859     -3.27333934
  H     -4.46755947     -1.92034347     -8.92754587
  H     -4.32713769     -3.44462382     -4.64947492
  O     -5.25056455     -3.80542125     -1.80357623
  H      0.82315423     -2.12738356     -5.85511389
  H     -5.40259022     -3.86079990     -3.61707347
  O     -1.67695216     -6.04506584     -6.15986709
  H      0.50372121     -1.51470911     -4.44912038
  H     -0.59799562     -4.47319017     -2.47924307
  O      1.86547420     -3.68709445     -0.60492383
  H     -3.45596424     -6.12068193     -3.39270059
  H      0.19283793     -4.30174014     -1.15126256
  O     -3.81189497     -1.41873526     -2.28675327
  H     -4.32174875     -5.50672858     -4.50769386
  H     -0.75398197     -4.99567016     -4.94132437
  O     -5.20494946     -3.84812021     -4.56654907
  H     -1.96309360     -3.24514666     -4.40834704
  H      0.10144274     -3.72895859     -4.53974558
  O     -0.69342577     -4.42071815     -1.51440856
  H     -2.42711597     -2.00616453     -5.23004326
  H     -0.60492118     -1.49348662     -7.27045362
  O     -0.52055027     -4.39848236     -4.22057717
  H     -3.15629079     -6.40753756     -0.84612156
  H      0.53396767     -1.60524605     -8.31653173
  O      0.13773624     -2.05064518     -7.57185077
  H     -2.25490907     -5.30272166     -1.43500918
  H     -1.30148858     -3.37555126     -7.85811139
  O     -2.14859786     -3.83479085     -7.89449098
  H      1.49157722     -0.54861536     -0.46484378
  H     -2.05181280     -4.61665433     -7.33770255
          69
 Energy    -248.07078429213141     
  O     16.15162762     10.49988552    -17.13651697
  H     16.61932240      9.81608500    -16.63052373
  H     18.09489320      5.42154257    -16.18229074
  O     15.44555474      5.47925021    -14.37736534
  H     15.69691773     11.05382738    -16.49088559
  H     17.86635215      6.29620119    -12.56682244
  O     17.24123124     14.29632163    -12.39254455
  H     15.83603843      5.84514744    -13.57466674
  H     17.06299649      5.65904973    -11.41121697
  O     19.79706063      8.92778774    -14.26447555
  H     14.75034880      6.08135406    -14.66991468
  H     19.98896030     10.60635333    -16.85009053
  O     17.21950881      6.90247340    -18.85291832
  H     16.31111750     14.05016430    -12.31469080
  H     21.50389730     10.34007506    -17.01433647
  O     15.85614350     11.45052599    -10.39040323
  H     17.68800839     13.85361835    -11.65964186
  H     17.30470819      7.58171871    -15.83119121
  O     15.05197830      9.13211132    -14.14538307
  H     20.22958186      9.34825389    -15.01758779
  H     18.18119934      8.63516132    -15.09772329
  O     17.89736052     12.47240536    -14.34846055
  H     19.57487221      9.59962882    -13.60480127
  H     15.83640735      9.13331168    -12.54374208
  O     19.36295056      6.32323074    -13.44605510
  H     17.22290111      6.26900251    -19.56716328
  H     16.66676204      8.12016934    -11.74164203
  O     13.57892403      7.30105373    -15.62344562
  H     17.16916641      6.38949383    -18.02573200
  H     15.54592553      7.71963147    -18.34305136
  O     19.94358838      5.23925260    -16.01182032
  H     15.95025336     10.56391065    -10.76355468
  H     15.11665351      9.06964130    -17.76874173
  O     17.21981607      5.76061074    -16.40581621
  H     15.32910247     11.96258093    -11.01697225
  H     18.66710300     12.71878775     -9.49983321
  O     17.01660033      6.32694064    -12.09119436
  H     15.88443659      8.88252013    -14.57930583
  H     17.44002507     12.17196431    -10.27129601
  O     20.68773463      9.93816965    -16.72890887
  H     14.37314617      8.57788240    -14.54736403
  H     17.92842079     10.05143797    -12.18193466
  O     17.32660261      8.49550982    -15.52345139
  H     18.20203497     11.78460303    -13.74209381
  H     18.74844722     11.27253819    -11.69481854
  O     16.43735411      9.05662364    -11.78817609
  H     17.74772305     13.25701686    -13.80172354
  H     14.71031633     12.69136434    -13.23606909
  O     14.81026406      8.16276662    -17.90502433
  H     19.62020603      7.23616023    -13.63969195
  H     13.75258753     13.55460963    -12.38764202
  O     18.33337699     12.54861214    -10.37625211
  H     19.61737601      5.82375247    -14.22987224
  H     19.06847768      7.42521418    -18.18753198
  O     18.68023560     10.62036292    -12.40302581
  H     13.99447446      7.56160866    -16.46507677
  H     20.14418535      8.26182591    -17.44334145
  O     14.59371155     13.10470150    -12.36518406
  H     12.67003281      7.09211372    -15.82149121
  H     15.09303259     10.89384423    -14.49275117
  O     19.90493486      7.36671119    -17.71294398
  H     20.02567555      6.00223841    -16.61262140
  H     16.15813961     12.03297481    -14.64280991
  O     15.21564647     11.82376928    -14.73727794
  H     20.56606373      4.58332053    -16.31312736
  H     17.85143144     11.40169895    -17.24179118
  O     18.69726785     11.73343218    -16.91793354
  H     16.60200701      5.52507419    -15.69856983
  H     18.50372359     12.11808803    -16.05121065
          69
 Energy    -248.07076168610513     
  O      1.54634971     -2.55588941      4.93734556
  H      1.99816679     -1.79224247      4.55703614
  H     -2.10616102     -0.47865225      3.59871748
  O      4.60309780     -0.69184271      5.42163220
  H      0.92161233     -2.85754196      4.26421553
  H      2.01793039     -1.08944153      2.11625056
  O     -3.82635537     -1.52838864      7.03363631
  H      4.99726467     -1.54606452      5.58691038
  H      2.31071946     -1.69723338      0.72517184
  O     -0.54004748      0.67261474      8.40046822
  H      4.32455244     -0.35912842      6.28810248
  H      0.19071587      3.27100535      1.19458400
  O     -0.66872499     -5.14046307      7.32580692
  H     -3.19538892     -1.99457311      7.60009055
  H     -0.04177570      1.78675222      1.52572961
  O     -0.23606765     -3.08429158      2.86767049
  H     -3.66831536     -0.58764946      7.16857348
  H      0.75697353      2.17213733      3.54593921
  O     -1.65335435     -4.47442631      4.89091523
  H     -0.35502868      0.04721725      7.68025224
  H     -0.05558558      1.37367076      4.58424707
  O      1.93729249     -3.90436757      7.33574631
  H     -0.44580197      0.15182224      9.20661843
  H      0.10758328     -0.42598449      1.05580384
  O      3.70482308      0.30048639      7.87412115
  H     -1.00664736     -4.94453184      6.43282542
  H     -1.33363321     -0.27842386      1.57870084
  O      2.20324907     -1.81560913      9.11975661
  H     -0.81068720     -6.07180517      7.47294290
  H      0.88640071      1.65652160      7.59037415
  O     -0.15457160     -1.39479390     10.29551188
  H      0.40665782     -2.73999899      2.23526522
  H      1.41469275      1.93239239      6.15523929
  O     -2.29760104     -1.19580652      2.97598225
  H     -0.95343486     -2.43341601      2.89410908
  H     -0.84150083     -1.88319339      7.02597220
  O      1.61762589     -1.56257968      1.36618774
  H     -1.12507926     -4.18700034      4.13628533
  H      0.34286317     -1.73848841      6.01402252
  O      0.36062154      2.60750435      1.85711574
  H     -2.47555883     -3.97171005      4.83785296
  H     -4.83965877     -3.10462777      4.50961672
  O      0.82822339      1.71954368      4.39945708
  H      1.93424526     -3.50794026      6.45314362
  H     -3.94043709     -2.31145936      5.48534298
  O     -0.65084805      0.17092782      1.06624364
  H      1.12012144     -4.41302527      7.38826223
  H     -2.18963006      1.12635450      7.82131883
  O      1.67570585      1.88510965      7.08480297
  H      2.99099905      0.89693652      7.58373301
  H     -3.45993896      2.00450982      7.75423470
  O     -0.36733697     -1.26233733      6.45918467
  H      4.27050958      0.81269541      8.44687149
  H     -1.37086407     -3.65744890      8.17904990
  O     -3.94909140     -2.78756515      4.63587361
  H      2.73924559     -1.13847923      8.69416364
  H     -1.21728345     -2.41018730      9.12126400
  O     -3.04210827      1.23909655      7.36810789
  H      2.17474639     -2.57695037      8.52069720
  H      2.01687227      0.41921418      3.90052158
  O     -1.72312102     -2.78186456      8.38708174
  H      0.72833888     -1.55564728      9.90979771
  H      3.37249385     -0.32881914      4.16351660
  O      2.57765784     -0.31384056      3.61150494
  H     -0.06499393     -1.49042392     11.23913264
  H     -1.22663620     -0.14683674      5.43834057
  O     -1.66085721      0.59007428      4.97543758
  H     -2.96548255     -1.74051242      3.41037845
  H     -2.25935339      0.98134803      5.62024215
          69
 Energy    -248.07073932432809     
  O     17.97244162      8.70439344    -11.53721701
  H     17.19661880      9.18637651    -11.86699607
  H     15.20567098     10.22636124    -17.31877462
  O     12.74671614     11.78285583    -12.74058915
  H     18.19900291      9.11920601    -10.69551112
  H     14.62203144      9.15733651     -5.94392190
  O     18.75750649      9.60381543    -14.04357486
  H     13.62817322     12.18902369    -12.82228457
  H     14.65502623      8.40129779     -7.29333663
  O     12.95128528      9.70607856    -14.68121637
  H     12.11529380     12.49747376    -12.72192300
  H     13.16114992     10.61340397    -11.29597661
  O     16.26654293      6.50411723    -11.29258621
  H     18.10697956      9.09271233    -14.54191636
  H     13.46503036      9.16432606    -10.74646638
  O     18.27054872     10.16538087     -9.20281472
  H     18.69942832      9.24493009    -13.14551262
  H     18.02086614      8.70379139     -8.04519882
  O     19.35287535     12.45812551    -10.45815974
  H     13.62890591     10.00396220    -15.29817006
  H     16.82715665      8.40171991     -7.12287620
  O     15.59692824     10.93355029     -8.86591780
  H     12.82302896     10.42794354    -14.05346686
  H     15.96513363     12.63228147    -13.61104395
  O     12.74546910      7.17009470    -13.69557530
  H     16.42787375      6.10568380    -10.42820055
  H     15.75741984     12.92333392    -12.07479667
  O     15.39619433      6.05238847    -13.97022020
  H     16.93524546      7.19446058    -11.40104144
  H     17.07702884      6.50351268     -8.23761621
  O     16.31948248      8.46859463    -14.84524011
  H     18.74892256     10.92923625     -9.54706039
  H     17.03996078      4.95634454     -8.20835583
  O     15.20793881     10.39233147    -16.37910072
  H     17.34461901     10.43764969     -9.11173354
  H     15.02618724      9.80621432    -11.86763360
  O     15.07580259      9.11531002     -6.78128699
  H     20.05041105     13.04192477    -10.17030056
  H     15.72925138     10.86377762    -12.72212609
  O     13.65309010     10.10796862    -10.63750380
  H     19.46494653     12.34451648    -11.41728145
  H     19.52578648     11.22616220    -13.46977150
  O     17.61126585      8.00319667     -7.52139543
  H     14.89357318     10.68102336     -9.48214574
  H     18.91490461     12.59553673    -13.73927939
  O     15.30878130     12.69434452    -12.90473085
  H     15.41626015     10.44450731     -8.05370108
  H     17.64819794     11.16172898    -14.56250292
  O     16.64894824      5.71896704     -8.62577477
  H     12.82289617      8.06436730    -14.07135896
  H     16.47143214     11.54387584    -15.47860132
  O     15.72564406      9.92043745    -12.52071692
  H     11.96261014      6.78111649    -14.07727372
  H     14.54783570      7.11380935    -11.13659553
  O     19.54620412     12.14656643    -13.17069821
  H     14.46904675      6.31435989    -13.90802621
  H     13.21297311      7.26134161    -11.90786970
  O     17.10742515     11.90915278    -14.85029510
  H     15.73365150      6.03897479    -13.06434826
  H     17.50091910     12.94967944    -10.45816279
  O     13.62629933      7.39980693    -11.04663568
  H     16.04597722      8.95316858    -14.05109205
  H     16.17683866     12.44988728     -9.84564837
  O     16.54328199     13.05111992    -10.50720312
  H     16.08245489      7.54485731    -14.68645325
  H     14.90356196      6.45934794     -8.34346385
  O     14.13117095      7.03394683     -8.26331624
  H     15.62115778      9.61668539    -15.95751334
  H     13.77580718      7.12056639     -9.15599060
          69
 Energy    -248.07068877171901     
  O      9.82406791      8.52609331    -12.92164229
  H      8.98281929      8.66277549    -12.49542043
  H     15.56864719     12.15797801    -13.36287763
  O     15.23134997      8.04735408    -15.73327582
  H     10.06122026      7.59032042    -12.78965768
  H     16.53699507      7.69283653    -12.98434993
  O     15.94093035      9.13084607     -8.97750052
  H     15.51478538      8.25528643    -14.82595259
  H     15.59361085      8.81872095    -12.40325235
  O     17.40422636     11.10373792    -15.63722617
  H     16.01010840      8.16025260    -16.28942611
  H     11.65085234      6.04909228    -12.34220959
  O     13.23959984      9.89729598    -15.24403008
  H     15.67951522      9.59608193     -8.18768105
  H     10.90714606      5.74520487    -13.65603665
  O     14.04121536      5.76776332    -14.71095173
  H     15.43349140      9.51902045     -9.71386687
  H     17.25797886      6.23095950    -10.23520440
  O     14.68843949     10.01817389    -11.16290225
  H     17.85888378     10.93676336    -14.80262195
  H     18.56508838      5.59212198     -9.70129456
  O     16.10182354      4.15786542    -13.83909306
  H     17.52546042     10.31072006    -16.17356982
  H     10.90271193      5.30411233    -16.23109379
  O     18.18209758     10.23351807    -13.01355041
  H     13.88238665      9.23386480    -15.53467951
  H     11.17934388      6.70574939    -15.63626592
  O     17.73118127      8.57231056    -16.91926350
  H     13.71211559     10.73874634    -15.23802456
  H     18.54164586      8.12594698    -10.47721742
  O     19.13179384      8.02271854    -14.67066067
  H     14.45367123      6.51217723    -15.17204900
  H     17.65026801      9.22499321     -9.91487266
  O     15.95153810     12.03485504    -12.48546351
  H     13.14114808      5.68484007    -15.04885173
  H     17.20586395      5.47367254    -13.34044643
  O     16.03767879      8.49549650    -13.19421601
  H     15.07576411     10.80566878    -11.57474084
  H     17.98822940      6.13756750    -12.16039531
  O     10.76869243      5.98121687    -12.72989313
  H     13.82950950      9.85489231    -11.57358727
  H     15.55800772      7.38689259     -9.63495678
  O     18.22353412      6.18206047    -10.36704362
  H     15.33633728      4.63012111    -14.20413621
  H     14.81904291      6.53931034    -10.71263449
  O     11.36362901      5.75520643    -15.52899749
  H     15.75432227      3.36915449    -13.42979841
  H     15.81713646     11.78702846    -15.42389843
  O     18.40549576      9.08033742    -10.49775958
  H     17.41387593      9.67429860    -13.21439232
  H     14.86600672     12.99016344    -15.62435190
  O     17.69496014      6.26382454    -13.07183383
  H     18.43605760      9.97137791    -12.11634524
  H     13.76924720      6.31861024    -12.92266088
  O     15.56054364      6.53751511    -10.09508898
  H     18.21401111      8.34406362    -17.70871154
  H     13.17085087      7.55134539    -12.21425205
  O     14.94502827     12.14830878    -15.18229747
  H     18.28787153      8.31079138    -16.16294973
  H     11.55890656      9.13190837    -12.62726684
  O     13.47288215      6.64525675    -12.06239717
  H     18.71870271      7.30949491    -14.16165348
  H     12.77549597      9.49948992    -13.52183397
  O     12.51442892      9.26107014    -12.62087051
  H     19.11712196      8.79234451    -14.09202156
  H     10.38400162      8.57853154    -14.77377572
  O     10.84950890      8.42019617    -15.60458593
  H     16.81952150     11.63679052    -12.62186696
  H     11.60981466      9.01652164    -15.60634999
          69
 Energy    -248.07042507050105     
  O     12.56467975     11.37044172    -14.22976512
  H     12.76813148     10.67978999    -14.88389277
  H     13.16749824      5.78252920    -14.16653322
  O     14.10856277      6.51208111    -12.58479009
  H     12.32095675     12.15175302    -14.71951993
  H     18.13613622      4.03300222    -13.81623261
  O     18.28223612      8.77172187    -12.25218968
  H     14.50081917      7.02366778    -13.31159012
  H     17.49867104      5.26107710    -14.50714441
  O     18.83528423      7.70715222    -16.82340037
  H     13.68483094      7.16967242    -12.01721763
  H     16.82521966     10.04372138    -16.03014474
  O     10.78906361      7.73204676    -15.12726384
  H     18.39275744      9.23844290    -11.41506595
  H     17.57448123      9.08302679    -16.96557287
  O     15.72761220     11.05090633     -9.79539602
  H     17.70213563      8.01785023    -12.07140498
  H     15.64850474      7.31612485    -15.16458988
  O     13.20334078      8.74800647    -11.18492638
  H     19.58228576      7.57001226    -17.39970382
  H     14.40389570      8.28208283    -15.12287516
  O     16.69970446     10.12532191    -14.09844882
  H     19.16943466      7.63614030    -15.91064811
  H     17.35302972      8.33754630     -9.23099400
  O     14.45321239      5.93220047    -17.29700889
  H     10.82215027      8.22588101    -14.28789410
  H     16.76738113      7.09566492     -9.93569889
  O     14.34202446      8.81286628     -8.62888756
  H      9.86800829      7.61144554    -15.34082074
  H     11.68486799      9.02315208    -12.22098311
  O     16.76603411      5.99948915    -15.92980349
  H     15.33710811     11.12935734    -10.67626409
  H     11.42321198     10.10974455    -13.27495855
  O     12.79390135      5.71497400    -15.05322944
  H     15.17744591     10.42014747     -9.31496620
  H     19.23269738      6.44630774    -14.01902478
  O     18.00172941      4.97277455    -13.72514179
  H     13.46893222      8.72709095    -10.25745494
  H     19.28800284      7.91124960    -13.55813334
  O     16.83063360      9.69845912    -16.93158413
  H     13.74286638      9.43124116    -11.60832009
  H     17.21470018      5.85986638    -12.28316469
  O     15.16748355      7.95933882    -14.62861955
  H     17.37518565      9.80229500    -13.48741083
  H     15.81526589      6.40767257    -11.91625172
  O     16.72488055      7.61342832     -9.12032082
  H     16.14567802      9.34930958    -14.28844535
  H     18.81011228     10.53275944     -9.20912351
  O     11.07309504      9.28234501    -12.92353833
  H     14.37325323      6.83217347    -17.63067711
  H     17.36503533     10.45035266     -9.75766293
  O     19.59160574      7.31107067    -14.25255607
  H     13.82155763      5.82813246    -16.56796555
  H     15.38645935      9.09715578    -17.72167617
  O     16.75334341      6.46273831    -11.68738654
  H     14.04974454      8.63233030     -7.73987738
  H     14.60536318      8.96395542    -19.04985488
  O     18.22546648      9.99370328     -9.73441047
  H     15.17002353      8.31618070     -8.75988417
  H     13.91990946     11.18541683    -12.95563303
  O     14.57540082      8.73692769    -18.12430237
  H     17.42215033      6.53170763    -16.39616086
  H     15.38858271     10.70114249    -12.95600676
  O     14.62952967     10.87266881    -12.38168028
  H     16.01230893      5.83692401    -16.51806998
  H     12.22907163      8.67991945    -15.83360839
  O     12.99723923      9.25848577    -15.93187327
  H     12.02093866      6.29239039    -15.05227469
  H     13.39821730      9.11789297    -16.79972867
          69
 Energy    -248.07036215556954     
  O     12.23178518     12.48910894    -13.01108964
  H     13.07811674     12.54234457    -13.48786925
  H     16.57527206      5.81958571    -13.68144862
  O     19.03950340      9.48753101    -12.18692587
  H     11.98682012     13.38183167    -12.78148764
  H     13.40398703      9.49120322    -16.71507011
  O     15.60942222     10.35278210    -11.35890442
  H     18.92355052      9.52246998    -13.14776151
  H     12.33115058     10.54289662    -16.36950892
  O     11.12452101     10.76300052    -15.05270076
  H     18.73431618     10.34092440    -11.86131195
  H     16.57810973      9.74068746    -14.31440351
  O     14.07265309      7.98225809    -15.31863728
  H     15.62727201     10.14030605    -12.30773912
  H     15.11601963      9.23392001    -14.48355874
  O     14.81029770      6.25825671    -13.25820459
  H     16.32661242     10.98134594    -11.22573022
  H     14.10238304     11.71752930    -17.20848511
  O     18.44586529      6.99225175    -11.36262786
  H     11.19595969      9.91571850    -14.59194621
  H     14.41258183     13.04886009    -17.93658686
  O     14.58249368     12.42629491    -14.41569691
  H     11.36221996     11.42842949    -14.39690594
  H     12.79056871      8.47958665    -10.55553843
  O     18.36669563      7.00963857    -16.09211950
  H     14.44154709      7.28465067    -14.75710412
  H     13.95177002      7.48826912    -10.35761476
  O     15.73793453      7.60377276    -10.96716604
  H     13.25035345      8.23149495    -14.87106888
  H     18.14648306     10.16758952    -15.56579021
  O     17.14662478     11.14462417    -16.72167316
  H     13.92102529      5.96634120    -13.02496942
  H     18.47709533      8.67550529    -15.29382871
  O     17.53159905      5.84497321    -13.81524573
  H     15.12632290      6.77272036    -12.50039148
  H     16.39258107     12.91862272    -14.15839023
  O     13.07728018     10.35831008    -16.96161988
  H     19.13978575      6.66556808    -10.79656950
  H     17.54915153     12.37472169    -14.98759143
  O     15.66968301      9.86856119    -14.01483694
  H     18.69883901      7.89567097    -11.62788398
  H     18.28730860     12.76088045    -11.11284569
  O     14.67853997     12.50498757    -17.20069239
  H     14.93834878     11.53203364    -14.30092867
  H     17.75961233     12.33633497    -12.49995754
  O     12.98809239      7.56348805    -10.32273353
  H     14.53901887     12.57984094    -15.36941606
  H     13.78414847     10.28872271    -11.37892054
  O     18.39088126      9.54013344    -14.87108589
  H     19.02912244      6.47249696    -16.51769516
  H     12.51587651     10.98409386    -11.91691430
  O     17.35546779     12.83038264    -14.16330393
  H     18.07860739      6.52723149    -15.29631147
  H     16.93849486      7.92818011    -16.93300115
  O     17.88050439     12.03709225    -11.58214942
  H     16.65918808      7.31630687    -10.97110969
  H     15.45978114      8.24840661    -16.67162394
  O     12.83879312     10.15632392    -11.53955506
  H     15.75463162      8.57037402    -11.01057576
  H     12.27340074      9.03978684    -12.90052978
  O     16.22933435      8.53905789    -17.17309931
  H     16.83273168     10.25911940    -16.96941708
  H     11.83791697      7.59845710    -13.26446598
  O     11.93674683      8.48859610    -13.62208593
  H     16.41479467     11.72893971    -16.94929104
  H     12.37371315      6.46854734    -11.53565157
  O     12.13466553      5.96734897    -12.33725238
  H     17.90973935      6.16592759    -12.98728090
  H     11.53378611      5.27904363    -12.06632876
          69
 Energy    -248.07021743986112     
  O     -2.22657149      5.08904854      3.36857877
  H     -1.67638563      4.68002908      2.68952517
  H     -4.14030366     -3.85760836      1.72996342
  O      1.57608631      0.60561473      1.04605236
  H     -1.92197789      4.71747656      4.20604320
  H     -0.39558592      2.61419025      0.08488993
  O     -1.39392337     -0.53408225      3.97510290
  H      1.13446229      1.05865450      0.31736443
  H     -0.03208471      2.71707048     -1.41341055
  O     -4.08735571      1.27554622      0.55827479
  H      1.02126566     -0.15914153      1.25176290
  H     -5.38521682      5.54909253      3.53383484
  O     -2.52515508     -2.84355776     -0.94710902
  H     -0.94176938     -0.85770845      3.18285968
  H     -3.99035214      4.92250922      3.30631011
  O     -0.40704637     -1.31981712      1.52238337
  H     -0.80117712      0.06614334      4.45183179
  H     -5.70857887      3.61823414      2.00100839
  O     -5.51850652      0.19301706      5.30079666
  H     -3.52958855      1.40791992      1.34054323
  H     -6.52719995      2.31135037      1.93810230
  O     -7.06329804      0.84289584      2.93547317
  H     -4.80882702      1.91487295      0.64854498
  H     -1.35342717      2.74824455      2.10845110
  O     -1.69017078      3.62179429      5.79574276
  H     -2.36487421     -1.89081243     -0.94758796
  H      0.13995921      3.17264060      2.18673410
  O     -1.94751479     -0.09387254     -0.49531517
  H     -3.44873445     -2.97236863     -0.69458886
  H     -3.83869671     -2.48192010      3.57136936
  O     -5.33391171     -0.96955892      1.57221022
  H     -0.98613946     -0.90954449      0.86400984
  H     -3.03448991     -1.24257619      4.04637058
  O     -3.56016254     -3.90124220      2.49990646
  H     -0.50654580     -2.27472783      1.42125516
  H      1.74296086      1.77561716      2.31932958
  O     -0.15411036      2.09507329     -0.70043502
  H     -4.97615054     -0.48765025      4.86663554
  H      2.57998906      2.85583161      3.04632728
  O     -4.93798903      4.71811788      3.39391269
  H     -5.90191684     -0.21756276      6.07205823
  H      0.71030989      1.82809331      4.42644974
  O     -6.06291983      2.96239891      1.39081959
  H     -6.67459856      0.14568412      2.39099519
  H     -0.46059231      2.21764499      5.35211713
  O     -0.68961241      3.33962831      1.71958722
  H     -6.69053003      0.69569930      3.81141587
  H     -4.60669539      3.26435453      4.52529982
  O     -3.93132062     -1.59400079      3.94758397
  H     -1.70628998      3.95924368      6.68851946
  H     -4.66370175      1.81442669      5.14737257
  O      1.69924088      2.49871724      2.97115190
  H     -2.56111607      3.22044254      5.63420973
  H     -5.95315937     -3.57518896     -0.19017535
  O      0.09153202      1.47551399      5.07823214
  H     -2.76462598      0.35965048     -0.24176063
  H     -5.28679575     -2.42923192      0.60629769
  O     -4.10606237      2.58925321      5.00364986
  H     -1.31966825      0.60284306     -0.72150964
  H     -0.59375879     -4.75829208      0.74346063
  O     -5.11546665     -3.27090084      0.14856417
  H     -4.82693686     -1.15150430      2.37530826
  H     -1.56211515     -3.65196211      0.25370669
  O     -1.07786365     -3.98896910      1.03057979
  H     -4.92736369     -0.20040555      1.14818050
  H     -3.13802949      2.02825631      3.51944596
  O     -2.59018565      1.66229649      2.81545349
  H     -2.67061563     -4.00182899      2.14008200
  H     -2.14955340      0.88529412      3.18421155
          69
 Energy    -248.07000491115417     
  O     14.89017862     12.12324852    -11.70473682
  H     15.30908610     11.92147454    -12.55422859
  H     18.01064976      5.40338179    -14.81984317
  O     14.46977552      6.74143079    -14.51959115
  H     15.48510530     11.77664914    -11.03166759
  H     18.67354642      9.85185621    -12.55160241
  O     16.06753215      5.77168229    -10.62935780
  H     14.71273576      5.89314104    -14.12577308
  H     17.75879918     11.03207071    -12.93006270
  O     18.70327334      8.05865383    -13.20021414
  H     14.95296054      7.42061689    -14.01927626
  H     16.90272747      8.33081757    -13.09543488
  O     14.70001723     10.46101542    -16.17387160
  H     15.84410297      6.70476099    -10.49589698
  H     15.69601519      8.49259375    -12.13058210
  O     11.97950126      6.31693119     -9.83413194
  H     15.43151267      5.26409407    -10.10898825
  H     11.73696490     12.14488825    -11.75610242
  O     12.04712905      7.45032336    -13.39530532
  H     18.79147823      7.27623105    -12.64024542
  H     13.22423051     11.71975873    -11.81168943
  O     15.33977692      8.41832963    -10.36892871
  H     18.65043759      7.75718568    -14.11688869
  H     13.36696293      3.68219627    -10.98789607
  O     10.92631581      5.14347624    -12.23322363
  H     13.89486998     10.31667034    -15.65129362
  H     13.84807823      3.73685916    -12.44645111
  O     18.21534538      7.07538765    -15.80996540
  H     15.02452275      9.59047600    -16.42031805
  H     12.20306695      9.17269099    -14.21857407
  O     15.65895000      7.67820244    -16.77384752
  H     12.16902015      7.23226062    -10.07655057
  H     12.42222658     10.59102501    -13.68535325
  O     17.89115528      4.66256325    -14.21434026
  H     11.48047289      5.94819206    -10.57389818
  H     17.76008682      5.70656656    -11.21437014
  O     18.36666395     10.71489164    -12.24672134
  H     12.84258670      7.14177329    -13.85261546
  H     19.24730429      5.34563599    -11.00137201
  O     15.94825399      8.47794430    -13.06257256
  H     11.57287635      6.66672337    -13.09249664
  H     15.58015741      5.00522304    -12.27995519
  O     12.30929900     11.39702230    -11.90274752
  H     15.79593071      9.23469754    -10.12712098
  H     16.21510939      4.43441565    -13.57402652
  O     13.08031168      3.52883729    -11.89633626
  H     14.39831701      8.60731675    -10.49887474
  H     13.24770556      5.19267801     -9.43562321
  O     12.50952789     10.04974862    -14.47811961
  H     10.13724439      4.63436209    -12.39734935
  H     13.80358768      4.12260920     -8.46606280
  O     18.63653555      5.71574976    -11.63406437
  H     11.66471990      4.51049333    -12.17905259
  H     12.48395485      9.70284733    -11.19915077
  O     15.37437461      4.55233494    -13.10925525
  H     18.83292117      7.14432208    -16.53517997
  H     12.49809569      8.30516357    -11.85232794
  O     13.93821996      4.51341061     -9.32515967
  H     17.34885089      7.33013980    -16.16365157
  H     17.42722611     10.76180206    -10.77193482
  O     12.68974151      8.77544402    -11.02716318
  H     15.21716611      7.42903669    -17.58259170
  H     17.26331685     11.20435265     -9.29879878
  O     16.80763905     10.77858262    -10.02005890
  H     15.14048727      7.29619059    -16.04435847
  H     15.74085185     11.11757967    -14.82076356
  O     16.17440711     11.11790109    -13.95710182
  H     18.28260393      4.93848052    -13.37576006
  H     16.02656913     10.22118262    -13.62177953
          69
 Energy    -248.06994042218562     
  O     15.90805187      9.51757273    -16.68478688
  H     15.79188893      8.86666933    -17.38540189
  H     19.33578626      8.88977085    -17.02478894
  O     16.91088206     13.22900581    -11.26445350
  H     16.30458808      9.03147785    -15.94448536
  H     17.95248060      8.18776445    -14.47369052
  O     19.74095131      8.44986149    -14.08217222
  H     16.98413947     12.88572718    -12.16563678
  H     16.91040107      7.07491720    -14.76000824
  O     14.38027402      5.61812576    -16.46098138
  H     16.05525575     12.92292753    -10.93814006
  H     14.20913247     10.01280334    -15.99612695
  O     16.43330298     10.09327287     -9.32110674
  H     19.86873954      8.93402814    -14.91307219
  H     13.58017705     10.55341254    -14.70080383
  O     15.01330655      8.37149160    -12.77378720
  H     19.54624822      9.07635943    -13.37361061
  H     16.22835040      8.05061497    -11.52977561
  O     17.08094370     11.70541129    -13.63899394
  H     13.72935593      4.94198430    -16.62866136
  H     17.34182192      7.01805718    -11.28678956
  O     19.96776762      5.73783986    -13.82840129
  H     13.95682537      6.27622825    -15.87624937
  H     13.78224500      7.56339524    -13.98921622
  O     19.03607026      4.92917770    -16.22118840
  H     16.62571988      9.24809889     -9.74622352
  H     13.16628438      8.32515770    -15.15953940
  O     16.65173655      5.25132595    -14.82341915
  H     17.25536431     10.59876811     -9.35180935
  H     19.35543421     12.25396607     -9.40063305
  O     17.61507660      5.31755240    -12.18495928
  H     15.71899987      8.28754051    -13.43450196
  H     18.12770635     12.37231204    -10.33809134
  O     19.71578037      9.62329623    -16.51757621
  H     14.71665255      9.29105966    -12.81323827
  H     18.11231659      9.23566722    -11.71248166
  O     17.01532211      8.02704345    -14.64164555
  H     17.35242874     11.74127491    -14.56311570
  H     18.82796978     10.55658915    -11.32677777
  O     13.36711415     10.10971395    -15.53220012
  H     17.64132925     11.05991713    -13.18592101
  H     15.17888080     11.16124667     -9.95020256
  O     17.04283861      7.89514941    -11.02469082
  H     19.33050936      5.55473812    -13.12996353
  H     13.93167979     12.03348816     -9.67776829
  O     13.32062019      7.42939054    -14.82567632
  H     20.02064464      6.70477274    -13.89147743
  H     17.65982468      7.28786808    -17.97574756
  O     18.71840127     11.74058079     -9.88907367
  H     19.47193815      5.19620251    -15.39036385
  H     18.79327934      6.53744465    -17.25797701
  O     18.63700823      9.96780768    -12.06687831
  H     19.57393859      4.24226562    -16.60538656
  H     15.32816570     11.32684071    -13.32618928
  O     14.58187723     11.82281152    -10.34256164
  H     15.86128281      5.25796453    -15.37640666
  H     14.33068947     11.37547988    -12.14439544
  O     18.58798150      7.35465172    -17.72738714
  H     17.40989998      5.03450964    -15.38575995
  H     17.47473352     12.32485781    -17.04337836
  O     14.43239106     11.07511151    -13.05599594
  H     17.18448923      5.25556283    -13.05267843
  H     16.96375708     10.92938874    -16.61050733
  O     17.62153772     11.61975474    -16.41762207
  H     17.41356235      4.50412730    -11.72670994
  H     15.25169029      6.63618167    -17.71275868
  O     15.73749429      7.21807212    -18.31736164
  H     19.09296517     10.35574827    -16.56944825
  H     15.38156769      7.06646489    -19.19005693
          69
 Energy    -248.06988844940588     
  O     -6.19052239      0.83258232     -0.22047374
  H     -6.19625402      0.89801719      0.74098047
  H     -0.79677772     -1.28365862      2.38549269
  O     -5.34301465      1.02028376     -4.53293270
  H     -5.54012475      1.49245792     -0.50599977
  H     -1.61477423      3.39326509      2.40014974
  O     -5.53366387      1.41548705      2.51339933
  H     -4.94219466      0.18401760     -4.80095114
  H     -1.35176089      4.49654830      1.35699326
  O     -0.07736591     -1.60157172      0.85183460
  H     -6.06996475      0.78280927     -3.94520306
  H     -3.44979584      2.21094747     -0.38151892
  O     -2.10244533     -1.26281854     -0.99683123
  H     -5.18272931      2.30272201      2.34242665
  H     -4.41710128      3.31574735      0.10392341
  O     -4.04919025     -1.53432447     -4.86553698
  H     -6.03029567      1.47420848      3.32724852
  H      2.73487636     -0.03220014     -0.44784189
  O     -4.72854962     -1.61283857     -0.18678934
  H     -0.77415988     -1.64847644      0.18159047
  H      1.64461197      0.93511262      0.06386598
  O     -2.02680458     -0.14372211     -3.51272514
  H      0.62573016     -1.07443541      0.45423606
  H     -0.37142401      4.17566783     -0.85796981
  O     -3.32907030      2.38028492     -3.24313586
  H     -3.02187634     -1.45512547     -0.76906450
  H      0.32388529      5.47204732     -0.38671120
  O      1.25713628      2.35805033      1.00859429
  H     -2.07531111     -0.97986576     -1.92080927
  H     -6.33232605     -1.53025114     -2.78384829
  O      0.57037042      0.89755158     -2.90701754
  H     -4.08724181     -2.19334311     -5.55316833
  H     -5.30812144     -2.23202479     -1.87855840
  O     -1.25317440     -1.03328895      3.21038669
  H     -4.59110306     -1.86532859     -4.12680817
  H     -1.08561371      0.79660154      2.89734581
  O     -1.94730799      4.24132843      2.07155929
  H     -4.46454302     -1.61545804      0.74622408
  H     -1.37594556      1.53820909      1.57271562
  O     -4.24305476      2.71408806     -0.62796209
  H     -5.23936338     -0.80101299     -0.29624522
  H     -3.08241211     -1.04470811      2.71297898
  O      1.79175794      0.11302917     -0.43638429
  H     -2.61624267     -0.66771642     -4.06986900
  H     -4.36329582     -0.19309834      2.51389611
  O     -0.09167281      4.67369523     -0.07041046
  H     -2.44360502      0.72330455     -3.41244707
  H     -1.42515748      1.85968516     -0.77610568
  O     -5.64939693     -2.21275812     -2.78206037
  H     -4.04296654      2.02830073     -3.79507949
  H     -1.94755504      0.43644861     -0.38454495
  O     -1.04131147      1.66214580      2.47653653
  H     -3.73130848      2.59045519     -2.38926802
  H     -3.64348034      4.12419963      1.97531354
  O     -3.98913943     -1.07149655      2.38445856
  H      0.94965483      3.19878455      0.65207775
  H     -5.01287442      4.84052197      2.05629294
  O     -1.92506801      1.36422866     -0.11517502
  H      0.59148198      2.09724967      1.65967655
  H     -7.02871046      0.39239902     -1.74777627
  O     -4.60462803      4.00077995      1.86407623
  H      0.95819110      0.48978088     -2.12273982
  H     -8.27309238      0.22031893     -2.64611990
  O     -7.32586679      0.10696214     -2.62718035
  H     -0.18493123      0.35997950     -3.17803085
  H     -1.66224337      2.99956748     -2.64883574
  O     -0.84837410      3.06598005     -2.13345039
  H     -0.91224158     -1.60138967      3.89558836
  H     -0.23316782      2.39946126     -2.47873154
          69
 Energy    -248.06978330966979     
  O    -12.35336939      7.35167966     -1.41233290
  H    -11.73004133      7.45199130     -2.14123998
  H    -10.91730421      5.88102955      2.57380585
  O     -6.35718629      9.66231669      3.37383941
  H    -12.30739399      6.43777241     -1.10239278
  H     -8.47850287      7.85690007      5.39973977
  O     -7.60134581     10.41263598     -0.58360838
  H     -6.65476205     10.44821513      2.89766034
  H     -8.72938798      7.46821445      3.92745988
  O     -7.18195559     11.89284637      1.76759234
  H     -7.12934549      9.29161554      3.81794930
  H    -12.50859532      7.39765592      2.85740379
  O     -5.89769554      6.44217811     -2.36430617
  H     -8.03726745      9.64593940     -0.18883840
  H    -13.68265094      8.32336832      3.25825674
  O     -9.58734735      4.24808701     -0.52025883
  H     -7.38504185     10.99843295      0.15356856
  H     -8.59253393      5.44630022      2.38625827
  O    -10.32822454      8.05928034     -3.34389250
  H     -8.14348072     11.99204726      1.89994691
  H     -9.02944064      6.84535242      1.87747485
  O     -5.37961441      8.79175276     -1.15329239
  H     -6.79335719     12.75158925      1.91070286
  H    -11.25992311      4.53634350     -0.31576941
  O     -8.84129782      8.05936506      0.50185548
  H     -5.30541730      6.26241780     -3.08886647
  H    -12.71977054      4.02792702     -0.39196262
  O     -9.79078742     10.49882832     -2.30632582
  H     -5.65339458      7.31673501     -2.00898630
  H    -12.39176521     11.84840620     -0.32935672
  O    -11.47172188      8.95246296      0.57011912
  H     -9.21206197      4.98565027     -1.02111319
  H    -11.52699826     10.62061450      0.04148269
  O    -11.87544305      5.84756621      2.45473354
  H     -8.97248450      4.06508629      0.19903387
  H     -5.99787164      8.43385952      2.13312382
  O     -8.58402039      8.22023789      4.52311759
  H    -10.47950167      8.14959774     -4.28083496
  H     -7.00847223      7.89812519      1.10971775
  O    -12.77216467      8.32814154      2.97671413
  H    -10.15101407      8.95481804     -3.00188870
  H    -10.39435696     11.97815994      1.25751408
  O     -9.07896468      6.24331660      2.63301077
  H     -5.37591290      8.49457655     -0.23280167
  H    -10.16802509     11.37294101      2.67224065
  O    -12.19094016      4.79496804     -0.18876503
  H     -6.05313706      9.48339865     -1.17089628
  H     -5.74969435      5.53016500     -0.62617884
  O    -11.49016381     11.54111140     -0.27391884
  H     -8.78603369      7.51043094     -0.29540770
  H     -5.74634146      6.15026397      0.78394942
  O     -6.08684981      7.82533038      1.38597468
  H     -9.73685973      8.42356161      0.56070177
  H     -6.97959657      4.41163426      1.14255211
  O     -9.83529899     12.02779151      2.03953965
  H     -8.94414783     10.56977271     -1.84473700
  H     -7.38897740      3.20398739      2.02048810
  O     -5.77570903      5.30541296      0.30957118
  H    -10.42086707     10.96310440     -1.74252328
  H    -11.41126433      9.48372941      3.63259983
  O     -7.72354340      4.00240726      1.62156902
  H    -11.94736436      8.77934056      1.39085723
  H     -9.94379822      9.46267867      4.09740644
  O    -10.64637716     10.04877814      3.79131915
  H    -11.85349977      8.39460595     -0.12649084
  H     -9.14423321      7.01669811     -2.42975126
  O     -8.61316145      6.53774513     -1.77985339
  H    -12.03138607      5.47206711      1.57978512
  H     -7.69871328      6.49640564     -2.08959150
          69
 Energy    -248.06977196614841     
  O     13.03688216     14.23169011    -10.40030351
  H     13.14946551     14.77805346    -11.19938575
  H     15.15523656     12.51396182    -14.73841096
  O     16.37699451      9.42841024    -10.90871610
  H     12.43327706     14.69849764     -9.82856863
  H     11.39908981     13.43151362    -14.78200029
  O     15.85591022     16.51635268    -13.65313174
  H     16.97610498      9.86035568    -11.53206096
  H     12.43326802     12.93951653    -13.74015679
  O     14.36252989      9.71003787    -14.78802467
  H     16.38475281      9.94880281    -10.09216996
  H     19.02159189     13.41394558    -14.13005661
  O     16.10352685      6.77897822    -11.74328553
  H     16.03167928     15.98554039    -14.45075291
  H     18.79512141     12.36650548    -13.02654714
  O     16.89238396      6.41324874    -14.31061298
  H     16.09049882     17.41656750    -13.86205652
  H     16.29619969     11.72185824    -16.49666397
  O     15.59552816     12.52980718    -13.03993771
  H     14.18295950      9.75325028    -13.83779929
  H     17.28164658     10.56603521    -16.22090381
  O     13.84719069      9.58821613    -12.00878219
  H     14.31903489     10.60620408    -15.13553692
  H     14.08430554      7.83143836    -14.98688313
  O     17.07495879      9.10637612    -15.07349093
  H     15.14333970      6.69217686    -11.73916117
  H     15.02315232      6.62831106    -14.77081402
  O     18.78157321     13.53909059    -16.01686197
  H     16.29209304      7.64497749    -11.35454807
  H     16.79809557     11.18170938     -7.90878045
  O     12.88796253     12.13255541    -12.23599363
  H     17.43060319      5.63073883    -14.39080158
  H     16.13149609     11.98724217     -9.03528205
  O     14.71876328     12.47754887    -15.60794718
  H     16.68552187      6.51703417    -13.36381767
  H     16.71257845     15.37437005    -12.41874133
  O     12.32392283     13.46860105    -14.55076957
  H     16.02814995     13.28848921    -12.62513801
  H     17.80973754     14.26242706    -12.28430497
  O     19.01837339     13.29538019    -13.17249085
  H     14.72948577     12.42232100    -12.63188614
  H     16.98027112     11.36699556    -12.97320354
  O     17.20243404     11.42918519    -16.64832548
  H     14.71981713      9.57502885    -11.58787620
  H     17.66365144     10.16543710    -13.67285670
  O     14.09250334      6.88579731    -14.78759423
  H     13.51031681      8.68422053    -11.98579970
  H     14.17917847     15.92398840    -13.06665949
  O     16.34709283     11.08530204     -8.74322665
  H     16.12948387      9.29447810    -14.97766276
  H     13.01911730     14.99003496    -13.48884794
  O     17.00245666     14.62532800    -11.88566027
  H     17.17364336      8.16387652    -14.89387067
  H     12.54995156      6.22533805    -12.03063791
  O     17.74244399     10.76928694    -12.92291932
  H     18.29318362     12.73624953    -16.27336300
  H     13.46628587      6.78549707    -13.14620662
  O     13.34886924     15.53431661    -12.76533668
  H     19.49373514     13.63874035    -16.64315057
  H     16.24999263     14.01401028    -10.31085150
  O     13.24681642      6.85311037    -12.19951977
  H     13.10030697     11.21790576    -12.00177022
  H     14.80359328     13.83977112     -9.80247649
  O     15.71730107     13.59172808     -9.62358578
  H     12.86901009     12.68241536    -11.44217348
  H     17.21330151     14.54731361    -15.88258574
  O     16.32492444     14.91286954    -15.77609237
  H     13.83784813     12.84886708    -15.47001568
  H     15.72078408     14.17326495    -15.89610755
          69
 Energy    -248.06972392739752     
  O     15.14515686     11.55554349    -10.72944289
  H     15.86894195     11.13239949    -10.25103273
  H     18.99576540     10.12305865    -12.42484909
  O     14.24495366      7.36152389    -14.95858706
  H     15.45810312     11.66354075    -11.63693669
  H     15.27971798      8.23571405    -13.74122550
  O     18.94474747      6.95864661    -12.43119110
  H     13.40003527      7.38504591    -14.49075037
  H     16.78938085      8.52751058    -13.68295611
  O     13.96807025     11.56291003    -15.31097198
  H     14.64832222      6.49777576    -14.80146766
  H     12.07618061     11.13705466    -10.20964163
  O     12.96772705      4.98075288    -11.19431087
  H     18.76196469      6.55913528    -13.28553919
  H     13.52239628     10.94022658    -10.71884805
  O     11.96315335      7.52630551    -13.40397428
  H     18.45067341      6.43175438    -11.78461620
  H     14.03875951      4.18165565    -15.07164861
  O     15.76667799      7.94907298    -10.52957713
  H     13.48845907     12.23975805    -15.78046570
  H     13.13458160      3.86789071    -16.27070081
  O     17.85718361      8.70608463    -15.34040016
  H     13.32476555     11.11734586    -14.72970794
  H     12.03599990      9.39143877    -13.66799114
  O     11.28354047      4.79268120    -13.50869748
  H     12.92436176      5.90748743    -10.92627401
  H     12.36099824     10.50250219    -12.65612523
  O     18.10484625      6.01288030    -15.07506709
  H     12.32698052      4.87238048    -11.90739193
  H     16.74369405      6.38074120    -10.49396278
  O     15.44357716      9.36995700    -16.47653433
  H     11.57578162      6.64633423    -13.47723252
  H     16.68654478      4.94958612    -11.04431611
  O     18.95258992      9.59290620    -11.62344138
  H     12.34680558      7.59080353    -12.51592614
  H     15.57642770      4.60411349    -13.55737186
  O     15.97059356      8.61313685    -13.18098785
  H     16.23502031      8.63763678    -10.04336611
  H     16.46197246      5.24188515    -14.67525159
  O     12.61459550     10.59169672    -10.77702725
  H     15.89345265      8.15252090    -11.47037795
  H     14.50515697      4.27291390    -11.58430655
  O     13.14286843      3.90204357    -15.31664932
  H     18.29362746      9.50215304    -15.01760012
  H     15.33497550      2.96969381    -11.64594581
  O     12.27993447     10.32295315    -13.60097763
  H     17.05987563      8.98522272    -15.81939252
  H     19.09924981     11.92208821    -14.29100645
  O     17.29079394      5.60396976    -10.67693665
  H     10.48417835      4.27881658    -13.58928085
  H     17.74048933     11.33597821    -13.84025937
  O     15.56829987      4.94386410    -14.46315961
  H     11.91168560      4.44214351    -14.16309880
  H     13.99874630      7.78827145    -10.67151323
  O     15.34694816      3.89158941    -11.89069635
  H     18.79334305      5.66445337    -15.63660051
  H     12.77401027      8.71488585    -10.71792651
  O     18.65928021     11.10743165    -14.06249603
  H     18.05854582      6.96846889    -15.25487133
  H     17.92240270      9.94463822    -10.29381229
  O     13.04452189      7.79693132    -10.84242147
  H     14.96758211     10.16022954    -16.19717653
  H     17.80554467     10.19881960     -8.77236165
  O     17.29006432     10.10472695     -9.56837314
  H     14.94878341      8.62810101    -16.09864876
  H     15.92989876     10.42321044    -13.25699187
  O     16.00063028     11.37945590    -13.40653364
  H     19.02039480      8.66482755    -11.89723974
  H     15.34066542     11.59346982    -14.07787488
          69
 Energy    -248.06965177500769     
  O     12.67643723     11.92126138    -13.86812814
  H     13.48705880     12.39477601    -13.65379769
  H     15.17452975      6.95906806    -15.84129302
  O     15.31196930      6.78231186    -14.06321430
  H     12.82048438     11.51458483    -14.73520219
  H     14.47622104      9.83890664    -14.81306922
  O     17.77620399      9.43180532    -11.37024977
  H     16.20151566      6.81339369    -13.68573969
  H     15.22978921      8.62063512    -14.20405955
  O     17.06764221     11.54177640    -14.64608254
  H     14.68077713      6.65525918    -13.34392246
  H     11.83122565     10.79143930    -12.84372435
  O     12.24931441      7.83810032    -16.50662398
  H     17.79826761      8.96298961    -10.52699493
  H     10.50448754     10.48374537    -12.11411416
  O     14.92123308      7.52560395     -8.82420900
  H     16.92779913      9.89524746    -11.41421333
  H     17.63336922      6.39673783    -10.22488520
  O     13.47644930      6.61057144    -11.99982217
  H     17.85565754     11.39987177    -14.09871286
  H     17.69058796      6.09851415    -11.73528248
  O     15.32716214     10.68447128    -11.70946381
  H     16.48462128     10.77477624    -14.53502654
  H     12.21357036      7.18635163    -13.26384611
  O     18.03244903     10.63977213    -17.06310511
  H     11.50597982      7.50783421    -17.00402317
  H     11.50016095      8.54381962    -13.38775516
  O     14.89926631      5.01052557    -10.21031863
  H     12.02485733      7.73317015    -15.56427266
  H     20.11288341     10.63896182    -13.20922856
  O     17.85837886      8.01002085    -15.89027098
  H     14.80204336      6.63298659     -9.17262707
  H     18.83104590     10.46281492    -12.37896119
  O     15.07152027      7.29584968    -16.74452948
  H     14.30120085      8.08915115     -9.30443057
  H     17.87770700      8.06139228    -12.66067036
  O     15.15539045      9.58127473    -14.17711989
  H     13.46738335      7.44981727    -11.51786987
  H     18.02865794      7.53587139    -14.12691799
  O     11.36321677     10.12055825    -12.31540494
  H     13.86020119      5.95304018    -11.40658012
  H     16.63421751      7.83396326     -8.89815299
  O     17.43081949      5.72187585    -10.88461000
  H     15.29647086     11.62183443    -11.92664323
  H     17.99351321      7.95960053     -8.16870076
  O     11.68463052      7.72605931    -13.86500287
  H     15.18113933     10.22707186    -12.55576846
  H     15.34516712      8.98652534    -17.54825745
  O     19.24501884     11.00932178    -13.06677117
  H     18.67105205     11.21743315    -17.47281538
  H     16.28828022     10.19486303    -17.71188688
  O     17.89850225      7.26400822    -13.20586114
  H     17.72077669     11.08745328    -16.25926602
  H     12.58332157      9.40710296    -11.07750646
  O     17.59551507      7.91659791     -9.03382341
  H     15.81399098      5.18477180    -10.49712904
  H     14.08653607      9.66398099    -10.88923965
  O     15.37431820      9.91283953    -17.82655224
  H     14.86624184      4.10027129     -9.92965489
  H     15.91663282     12.67607543    -13.77807758
  O     13.37077442      9.06250767    -10.63759158
  H     18.04744336      8.85486363    -16.31449709
  H     15.48826040     14.02674533    -13.16570560
  O     15.25624102     13.10239270    -13.20774196
  H     17.04693219      7.69315911    -16.30232048
  H     14.01365914     10.43059024    -16.78817566
  O     13.30785930     10.41955369    -16.12315019
  H     14.11647215      7.40226890    -16.84004469
  H     12.80550013      9.61136457    -16.28747567
          69
 Energy    -248.06962479177639     
  O     12.09313124     12.13606273    -12.91088852
  H     11.68559070     12.97932724    -12.73070795
  H     12.31215779     10.19257350    -16.42937279
  O     19.30544361      9.41005946    -12.90487436
  H     12.87488548     12.31202960    -13.46293022
  H     15.81642938      9.38647251    -14.92202293
  O     15.71924793     10.05559049    -11.70829838
  H     18.91841115     10.21021956    -12.53331620
  H     14.42217275      8.97561751    -14.42989690
  O     11.33180794     10.14573762    -14.87553405
  H     19.40120361      9.55984559    -13.85550218
  H     14.25556849     12.96473223    -18.05269886
  O     13.49246127      7.39235430    -14.76930224
  H     15.57463939      9.90642393    -12.65578037
  H     13.91352812     11.62484824    -17.35293464
  O     14.75986027      5.84541610    -12.88003639
  H     16.47099939     10.65460634    -11.63246848
  H     13.23035857      8.38181659    -10.20146806
  O     18.65856561      6.94502011    -12.09449013
  H     11.47473040     10.88527399    -14.27348013
  H     14.43712285      7.42570119    -10.07844454
  O     14.26215241     12.30585146    -14.54785058
  H     11.16456216      9.38957788    -14.30080347
  H     19.00363974     10.55765813    -16.06945990
  O     16.11204713      7.41149271    -10.99838344
  H     12.70506220      7.64272634    -14.26941538
  H     18.63254493      9.09368981    -15.93760116
  O     17.11158712     11.36287061    -16.71830385
  H     14.00166930      6.81096646    -14.18742625
  H     16.08445753     12.76940029    -14.18314635
  O     17.08492058      6.47829573    -14.42318508
  H     13.92563593      5.59255218    -12.46645319
  H     17.21989240     12.26781422    -15.07137405
  O     12.90014732     10.26367351    -17.19548331
  H     15.22867691      6.38417380    -12.22474042
  H     18.38136364     12.40722962    -11.37797662
  O     15.09726391      9.65947455    -14.34073534
  H     19.44822743      6.48256783    -11.82824713
  H     17.69291158     12.12121620    -12.73579655
  O     14.52213067     12.38767955    -17.34266207
  H     18.93230451      7.84480706    -12.35376380
  H     13.91916787     10.03427951    -11.39994578
  O     13.49034634      7.50258152     -9.89878581
  H     14.52363871     11.37332934    -14.48601557
  H     12.58557630     10.72425603    -11.75222403
  O     19.31080930      9.73191969    -15.68291947
  H     14.27057320     12.51491977    -15.49040888
  H     16.93312980      7.72750752    -15.64145065
  O     17.04584059     12.69645277    -14.22337712
  H     17.01994976      7.17821681    -11.22957409
  H     16.01700817      8.22460618    -16.79172673
  O     17.96971635     11.71842183    -11.89240562
  H     16.02014107      8.35428447    -11.20077386
  H     12.01330200      8.69687221    -12.37476178
  O     12.95794945      9.92715423    -11.35490660
  H     16.99095978     10.40634212    -16.69952648
  H     11.59241954      7.21397465    -12.48712411
  O     16.78408327      8.46567116    -16.25748236
  H     16.27538635     11.73191224    -17.03183833
  H     11.77674257      5.03268296    -11.02581861
  O     11.54019312      8.06568030    -12.93742628
  H     16.30862011      6.07155188    -14.02105611
  H     12.65616574      6.29350254    -10.83855652
  O     12.25779145      5.70247140    -11.50408459
  H     17.71054384      6.59841090    -13.69744537
  H     13.94139514      7.52432344    -16.45700772
  O     14.27452191      7.73719107    -17.34712018
  H     13.30782911      9.40093983    -17.32482271
  H     14.01787041      7.01731288    -17.91820514
          69
 Energy    -248.06929817766979     
  O     14.95675205     11.81250031    -13.72188506
  H     15.71576388     11.88444619    -13.13110643
  H     15.48505908      7.05267593    -16.76643276
  O     14.53444870      6.14012088    -13.90491289
  H     15.25460929     11.33749181    -14.50804755
  H     17.44678501      4.31226167    -13.48352888
  O     17.04858215      7.01608838    -10.42814464
  H     13.70346470      6.42912373    -13.50499217
  H     17.75896643      3.21647174    -14.51177898
  O     18.53158541      7.95362996    -12.66971520
  H     14.47761662      6.22488306    -14.86802814
  H     20.05446034     10.69669820    -13.31389274
  O     13.09706571      9.15355341    -16.76513337
  H     16.65465203      7.89181156    -10.55014115
  H     19.12827156      9.64497429    -12.68220886
  O     13.01700344      7.15768457     -8.91337110
  H     16.61648418      6.64475241     -9.64875250
  H     15.48609931      7.64503754    -13.70729852
  O     12.33517763      7.09552832    -12.51158236
  H     18.32493063      7.53353965    -11.82716640
  H     15.80447203      9.03968718    -14.32688439
  O     15.84851947      9.47926488    -11.05291045
  H     17.66979602      8.12188506    -13.08579787
  H     12.02780313     12.07018848    -12.62067174
  O     17.16826630      7.98536761    -16.97145564
  H     12.49334676      9.42400450    -17.45123567
  H     13.38344259     11.47121449    -13.06344054
  O     11.97301327      5.07602670    -10.60336351
  H     12.58486422      9.12072170    -15.93668453
  H     14.84032011      4.60411663     -9.50899229
  O     18.65861092      6.63452897    -15.17244696
  H     12.53037228      6.47795004     -9.39589548
  H     15.09942486      4.21279562    -10.97138380
  O     14.59531251      6.73350774    -16.57129982
  H     12.97376255      7.95262326     -9.46053801
  H     11.96204837      9.86433503    -13.85653330
  O     18.00134441      4.10143536    -14.25115527
  H     12.63862263      7.80842531    -11.93091991
  H     11.84601303      8.32572766    -13.83450875
  O     19.30763712     10.59783803    -12.72897002
  H     12.09470825      6.35973702    -11.93476766
  H     16.59835285      5.64724479    -11.63882107
  O     15.97360354      8.46770986    -13.56982414
  H     16.26810796     10.34468216    -11.10888476
  H     15.65920292      5.30652359    -12.83765907
  O     12.50767115     11.24991532    -12.69898448
  H     15.81388659      9.14722130    -11.96610669
  H     15.53533918      5.95020323     -7.39724231
  O     14.47543044      4.09454798    -10.24284311
  H     17.63273399      7.93421322    -17.80271540
  H     14.58054158      6.48734039     -8.48919767
  O     11.79453010      9.09542628    -14.41550970
  H     17.71217818      7.50192505    -16.32356628
  H     14.08744336      9.31104916    -10.81416952
  O     16.29992478      4.93000962    -12.21306279
  H     11.32325179      4.39794076    -10.44047012
  H     12.80154681      9.95356221    -11.37029827
  O     15.42450760      6.02375806     -8.34135479
  H     12.84718512      4.65415294    -10.51845236
  H     17.91345551     11.48434407    -12.15176274
  O     13.12420618      9.21190581    -10.84435718
  H     18.82696806      7.05728399    -14.32247718
  H     17.37129680     12.67385834    -11.32750640
  O     17.10098687     11.89764099    -11.81129657
  H     18.46740488      5.70915710    -14.96238244
  H     14.72753542      9.81987013    -16.20452668
  O     15.59931238     10.03861792    -15.84584618
  H     14.01000260      7.48517388    -16.72790160
  H     16.22841771      9.45213526    -16.28808804
          69
 Energy    -248.06926456279530     
  O     14.80448707     10.70681971    -16.54892097
  H     15.15996577     10.07358157    -17.18388391
  H     17.22743667      4.17288755    -16.06016682
  O     14.53301069      5.46942723    -15.62804786
  H     14.05462416     10.27359493    -16.12271548
  H     18.17422115      7.46360092    -15.31515350
  O     18.34588708      7.88986304    -12.43720578
  H     14.06593334      6.00425077    -16.28744221
  H     19.54223225      7.35610438    -16.04018802
  O     19.89108435      7.02446711    -17.83625779
  H     15.13042748      4.86565079    -16.08625947
  H     19.06432951      8.73913590    -18.42288534
  O     17.46223681      6.03317000    -18.53429628
  H     18.87664729      7.76426124    -13.23235527
  H     18.65259376      9.96430350    -17.60780538
  O     14.30887471      8.64758821    -10.01727098
  H     17.62425606      8.48625241    -12.69515906
  H     15.78095107      6.85492112    -15.37468048
  O     14.45488636      5.85595772    -12.94284088
  H     20.59696824      6.62849740    -18.34010054
  H     16.24147921      8.20661899    -14.71857932
  O     16.23902842      9.38609794    -13.32725106
  H     19.06364063      6.60117925    -18.12848425
  H     11.81671585      9.53460943    -15.17157733
  O     18.27165335      4.69249535    -14.77211814
  H     16.82769151      6.75735027    -18.50932365
  H     13.00107810      9.00305642    -14.34034996
  O     13.99396958      5.77367225    -10.16225209
  H     17.09500060      5.31601534    -18.00283464
  H     16.65506810      4.47077814     -8.85613270
  O     18.94862036     10.39182831    -15.84793437
  H     14.11823350      9.22404763     -9.28193629
  H     15.61059865      5.25322562     -9.69127233
  O     16.59584967      3.97307652    -16.77504324
  H     15.26581955      8.46823749     -9.98967247
  H     14.19229188      7.76431615    -17.74886101
  O     19.13517160      7.46600851    -15.16991756
  H     14.32880630      5.59557755    -13.86597374
  H     13.13006354      7.98417853    -16.65098505
  O     18.47059310      9.49752256    -18.43714721
  H     15.38713106      5.69438103    -12.73979090
  H     17.05108487      5.13115357    -11.37564204
  O     16.40426849      7.58812564    -15.44216534
  H     16.30947333     10.26366573    -13.72604506
  H     17.56728478      6.24629958    -12.32235312
  O     12.72689414      9.25232702    -15.23675260
  H     15.32303492      9.22495077    -13.07044503
  H     17.57622595      8.01082327    -10.64091331
  O     16.56462339      5.10604369     -9.56074519
  H     18.75466813      5.51336648    -14.91418677
  H     16.93834137      6.98995090     -9.68011682
  O     13.44879887      7.34327357    -17.29861430
  H     17.87823233      4.77123433    -13.89210768
  H     13.73952489      8.66122599    -11.78599564
  O     17.13441260      5.38006181    -12.30408380
  H     13.94016910      6.72398787    -10.00452393
  H     13.90620129      7.55336588    -12.85105476
  O     16.94376054      7.92601124     -9.91813982
  H     13.96964543      5.67063287    -11.12382775
  H     16.59254960     12.64101279    -14.76737251
  O     13.67830586      8.48956382    -12.73472322
  H     19.05521704      9.52805985    -15.43727845
  H     15.94877862     11.41921716    -15.47316552
  O     16.58811334     11.68819421    -14.78826602
  H     18.20468067     10.82333942    -15.41203169
  H     16.78726643      8.92863209    -18.29700418
  O     15.96403737      8.51293991    -17.99557030
  H     16.68301355      3.04421942    -16.97224603
  H     16.13055307      8.21518388    -17.08611324
          69
 Energy    -248.06905392716692     
  O     16.36727743      5.19590398    -16.36427462
  H     16.40301125      6.16182015    -16.39219126
  H     17.08589176     11.93647645    -14.41687249
  O     18.42453075      6.59535583     -9.86702989
  H     15.43021561      4.97283142    -16.30073550
  H     16.09512300     10.91258400    -16.36680345
  O     13.12297530     10.53812342    -10.05667839
  H     19.21037009      6.21047224     -9.48835928
  H     15.43561582     11.00167000    -17.76604675
  O     17.52172506      4.27815225    -14.08123787
  H     18.50594037      6.50823158    -10.83449211
  H     16.44288951      8.98198110    -11.20529139
  O     12.63182047      7.70861006    -10.07957281
  H     12.46154207     11.19475981     -9.85210729
  H     15.37206132      9.62527513    -12.14132857
  O     15.74610254      5.76771320     -9.47263465
  H     13.53587680     10.81237668    -10.89219776
  H     12.94160101      4.11311354    -15.88606491
  O     14.35472751      6.61835548    -11.88959387
  H     17.17604683      4.59530042    -14.93445644
  H     13.97733301      4.43983655    -14.78090635
  O     18.62267783     10.81111542    -11.87521855
  H     18.02759989      3.49101696    -14.26788036
  H     14.90039913      8.76413978     -8.04394069
  O     14.13196907      7.06592628     -7.72962995
  H     12.99092951      7.46057528     -9.21794473
  H     14.55785283      9.99672255     -8.89636572
  O     16.13285865      7.95850853    -15.99506640
  H     12.70193271      8.67057787    -10.11947220
  H     17.03255966     13.53082794    -12.40468605
  O     18.55143497      6.41109954    -12.55015572
  H     16.67982465      5.98858285     -9.57801260
  H     17.47033482     12.04889064    -12.33061051
  O     17.26683807     11.35836819    -15.16713379
  H     15.33207827      5.91612697    -10.32995674
  H     17.89914326      8.37948700     -9.69088336
  O     15.42274434     10.51262217    -16.94827303
  H     13.63769803      6.91443055    -11.30729987
  H     16.82128241      9.41678733     -9.20644372
  O     15.91440933      8.83820235    -12.00223866
  H     14.98885276      7.35055587    -11.94061737
  H     14.07419226     10.89094952    -13.25762407
  O     13.62584642      4.73036641    -15.64315587
  H     18.35969098     10.34218212    -11.06888158
  H     15.16059993     11.75370482    -12.50965820
  O     15.26628127      9.59142635     -8.38200520
  H     18.71593858     10.13854724    -12.55620339
  H     13.57575850      6.51247684    -15.05240713
  O     16.78617956     12.65051956    -12.67597363
  H     13.94883345      6.54516245     -6.95277213
  H     13.88705432      7.11044088    -13.66393449
  O     17.56187013      9.27502860     -9.81689340
  H     14.73949675      6.54233264     -8.28292513
  H     15.73339169      4.15552841    -13.39704580
  O     14.42012855     11.14707934    -12.38752248
  H     15.91935954      8.76051192    -16.48740980
  H     14.61879829      4.96609546    -12.69703301
  O     13.77465014      7.33966565    -14.59475169
  H     15.34879786      7.75212918    -15.46486146
  H     13.48108634      9.20733319    -14.73628647
  O     14.77967923      4.19209462    -13.25321847
  H     18.44851685      7.19488790    -13.10112733
  H     14.09478834     10.34840441    -15.57046246
  O     13.57432975     10.16795333    -14.77876024
  H     18.21906017      5.66595790    -13.06659698
  H     17.39003898      8.43957703    -14.74520480
  O     17.83374217      8.79858172    -13.96324607
  H     17.59301901     10.53421966    -14.78488324
  H     17.15010288      8.83110468    -13.27379396
          69
 Energy    -248.06898101950571     
  O     12.55225005      5.44217784    -14.86237387
  H     12.92288192      6.32336262    -15.00452600
  H     14.12520431     10.88128433    -14.64126694
  O     17.13840856      5.88187497    -12.42410356
  H     13.26528691      4.82285296    -15.05986831
  H     16.71169538      8.59682655    -10.93330376
  O     15.34753397     10.50360972     -9.05572695
  H     16.80342434      5.90850659    -13.33241085
  H     16.56074229      7.56506786    -12.07080330
  O     14.85323458      3.71241958    -14.98338737
  H     18.08149969      6.08744465    -12.46045185
  H     11.92189314      5.02229186    -13.29003163
  O     14.09121918      8.12604900     -8.61754503
  H     14.80429865      9.70442299     -8.93449228
  H     10.79569232      4.39467502    -12.43433798
  O     15.43041065      5.09333282    -10.42390012
  H     15.11111222     11.10250075     -8.35116993
  H     17.22079436      7.93509215     -8.85496166
  O     13.58762214      8.69443200    -12.26436620
  H     14.68941733      3.52613013    -14.04171790
  H     16.89841910      9.44273602     -9.07104157
  O     19.71734070      6.89130096    -12.80723476
  H     14.96112795      2.86957174    -15.41584265
  H     14.68149626      3.74451353    -11.62943942
  O     16.35653485      6.40536946     -8.20563437
  H     13.57812614      7.60657383     -9.24941346
  H     13.29779725      3.68540677    -12.29880129
  O     16.16721417      6.18953194    -14.98818602
  H     14.79483520      7.53910386     -8.31509442
  H     17.92007205     10.75531380    -13.31038750
  O     19.39449117     11.25297049    -12.51552523
  H     16.05508435      5.32979952    -11.12694434
  H     16.83466889      9.67340730    -12.99182328
  O     14.75710874     10.48169731    -15.25106977
  H     14.62007748      5.60915800    -10.55479891
  H     19.10640138      8.93734705    -10.27889471
  O     16.29881005      8.45190265    -11.79318948
  H     13.31711117      9.59663971    -12.47398016
  H     19.80361522      8.28130326    -11.49747218
  O     11.69082407      4.72001250    -12.39299552
  H     14.53366422      8.70938241    -12.05249278
  H     16.08142053     11.47615794    -12.19718018
  O     17.52538029      8.74110778     -9.29238651
  H     19.30992510      7.34117168    -13.57032827
  H     15.44520013     11.34890125    -10.78455422
  O     14.19888442      3.34279078    -12.36068481
  H     20.53199791      6.50512459    -13.11833689
  H     14.22854536      8.73151172    -15.25169486
  O     17.07809513     10.37831321    -13.61139778
  H     16.58619285      5.81034428     -7.49661734
  H     13.76872455      8.03680870    -13.96826896
  O     19.80370973      9.06529126    -10.93493129
  H     16.07367301      5.85320822     -8.95464849
  H     13.14823802      7.30918428    -11.28849277
  O     15.37918957     11.81095988    -11.62942181
  H     15.80687252      5.30385090    -15.12269042
  H     12.47392939      5.91714173    -11.19437095
  O     13.97556034      7.86752566    -14.89755639
  H     15.41275458      6.79743529    -14.99569782
  H     12.46057022     12.04908667    -12.94875455
  O     13.04538636      6.53105646    -10.71817996
  H     20.12474396     11.86286469    -12.46574679
  H     13.88509923     11.63705019    -12.50016978
  O     13.11085709     11.35623173    -13.02100043
  H     19.61140573     10.51635226    -11.91872136
  H     17.60986560      7.43437171    -15.06338266
  O     18.33048989      8.03695675    -14.83577218
  H     15.61206198     10.53643967    -14.80304333
  H     17.92971749      8.88738920    -14.62541345
          69
 Energy    -248.06894202446489     
  O     -7.63458486     -2.97049360      5.71779922
  H     -8.28941496     -2.30605675      5.92758486
  H     -4.22195036      0.79977144      2.02066234
  O     -9.70433940     -3.04233903      2.10564778
  H     -6.79045464     -2.62880924      6.04598904
  H     -6.68014024     -1.11925272      3.00243211
  O     -7.55958264     -4.41588408      3.41020086
  H     -9.90193904     -2.32740113      2.72653275
  H     -8.10208314     -0.60342298      3.41026600
  O     -5.26497082      0.92710098      0.49353283
  H     -9.04100153     -3.59454332      2.53441141
  H     -4.67252190     -1.79525797      5.69715740
  O     -6.55028102      0.49888010      5.90439445
  H     -7.60123979     -3.94871935      4.26336269
  H     -4.54676395     -2.15039040      7.20020952
  O     -5.01101442      5.39382701      1.79486787
  H     -7.54782625     -5.34885694      3.60709174
  H     -2.16760803      3.44049543      2.82854000
  O    -10.06843975      0.95738002      1.22608445
  H     -5.49555432      0.06631292      0.12545647
  H     -0.81965641      2.92656636      2.26422286
  O     -3.94551742     -1.62173937      4.14888529
  H     -6.08947599      1.30791498      0.83031487
  H     -9.56627763      4.48395630      5.11862608
  O     -3.87427968      3.38945046      0.35148234
  H     -6.05765847     -0.22175728      6.31310722
  H     -8.46172760      3.87517202      4.24521444
  O     -9.92075905     -0.65215770      3.58168179
  H     -6.73125786      0.20737968      4.99515037
  H     -5.89883201     -2.36832611      1.34690347
  O     -6.21371598     -1.61799446     -0.33198349
  H     -4.99242820      6.20495719      1.29433867
  H     -6.37284583     -3.28937034      2.52895332
  O     -3.68234981      0.84440833      2.82191125
  H     -4.64758996      4.69917505      1.21656465
  H     -9.17368205     -2.05667773      0.69256476
  O     -7.16589002     -0.36431389      3.35402484
  H     -9.20570911      1.38253417      1.36814210
  H     -9.32388519     -0.57702560      0.29581087
  O     -5.16842268     -1.87264514      6.53360735
  H    -10.67885962      1.64808622      0.98154167
  H     -8.41553710      0.91079006      5.93490492
  O     -1.76359453      2.80980271      2.20544341
  H     -3.73864175     -0.76217847      3.76005408
  H     -9.39386982      1.94882431      5.35527103
  O     -9.29247286      3.67056930      4.70033711
  H     -4.47432295     -2.07962991      3.48087967
  H     -3.76610774      3.85188917      4.33021625
  O     -5.78244434     -2.56475552      2.28473006
  H     -3.06033704      3.18617957      0.82918306
  H     -3.77859820      4.92967676      3.22998567
  O     -8.85237286     -1.38556972      0.07105146
  H     -4.33328896      2.54691657      0.23922490
  H     -4.56186600      1.87184779      4.05435695
  O     -9.33054805      1.02986630      5.65221747
  H     -9.84568079     -0.06889151      4.35351444
  H     -5.49496447      1.87397619      5.28862687
  O     -3.19483555      4.45400252      3.83384534
  H    -10.13685309     -0.09446462      2.82270105
  H     -7.35138448      2.64251931      2.28220257
  O     -4.99450213      2.45143555      4.69829922
  H     -7.17874177     -1.51473886     -0.23054990
  H     -7.36532902      1.08445480      2.37224065
  O     -7.53421837      1.83747288      1.78216157
  H     -6.06962697     -2.04026614     -1.17446982
  H     -6.22775553      3.48264449      3.89956424
  O     -6.85475179      4.00445837      3.37540437
  H     -2.91807725      1.39634213      2.61379342
  H     -6.32686947      4.59245166      2.82129960
          69
 Energy    -248.06878564000871     
  O     10.48300775      8.57684506    -13.81281149
  H     11.03013730      8.57834328    -13.01993667
  H     15.88293528      8.27186671    -10.53749105
  O     15.11975217      4.56156274    -13.32253798
  H     10.42793183      7.65309367    -14.09226857
  H     12.94063955      3.36588949    -11.58278457
  O     15.37550818      3.64844177     -9.04510699
  H     14.65553277      4.26057849    -12.53039505
  H     13.18353402      4.71872915    -10.85704895
  O     16.00441425      9.42416431    -14.03496794
  H     15.90185378      5.04655904    -13.03113616
  H     13.67368359      7.23018522    -14.65562660
  O     14.07235064      8.53492758    -15.87002327
  H     15.37971915      2.77889339     -8.65315751
  H     14.01924708      5.95716212    -13.80158485
  O     13.53056626     10.74509974    -13.22651796
  H     14.76547129      3.61170857     -9.80169915
  H     16.31848918      6.50654369    -16.18469665
  O     11.55316180      2.81492442    -12.55343201
  H     16.66525446      8.83897682    -14.42758646
  H     14.98945021      7.08268221    -16.66805782
  O     14.18101900      6.14687727     -8.31758371
  H     15.93773710      9.14902618    -13.10934911
  H     14.57695350      3.99147604    -14.98918063
  O     11.85303901     10.24385071    -15.49215501
  H     13.31267857      9.12887254    -15.88739591
  H     14.59163240      4.73720148    -16.32269989
  O     17.52348869      5.37510135     -9.85666860
  H     14.73402155      8.93533838    -15.28724555
  H     17.44813812      5.82346606    -11.60427707
  O     16.27352740      7.78566285     -8.81781804
  H     12.97438639     10.75813278    -14.01613593
  H     16.57427374      6.96392409    -12.15216030
  O     15.61194008      8.35327455    -11.46192090
  H     14.42604116     10.56785668    -13.53728364
  H     17.58870807      6.83135181    -14.06146694
  O     13.60442623      3.88392948    -11.10382517
  H     10.89770805      3.45088116    -12.24206385
  H     18.58484673      7.23357035    -15.16977404
  O     13.40303234      6.69309902    -13.89918492
  H     11.58170255      2.90877794    -13.51378238
  H     11.28524744      2.74906551    -16.05369416
  O     15.54253643      6.29201978    -16.71433100
  H     14.54522406      5.25803930     -8.41746462
  H     12.50736467      3.58686220    -15.61451286
  O     14.16155544      4.00385779    -15.86245288
  H     13.40423555      6.18946829     -8.88961408
  H     12.98532806      9.33099901    -12.25891896
  O     17.14689978      6.23350065    -12.42753070
  H     11.27705696      9.67403916    -14.95336008
  H     13.01629761      7.81363713    -12.63226816
  O     17.66352042      7.27375503    -14.92338382
  H     11.28209829     10.79093061    -16.02473710
  H     10.91607761      4.99985013    -14.79304063
  O     11.58318380      3.36814513    -15.39300490
  H     16.88402337      4.71069958     -9.57111452
  H     11.75059629      6.12661025    -14.16674387
  O     12.78486431      8.44259784    -11.92612739
  H     17.25237285      6.19544031     -9.42666772
  H      9.05643503      5.25585841    -11.67849160
  O     10.83753809      5.82379635    -14.29636992
  H     15.49454185      7.25162752     -8.57772640
  H     10.22866685      5.41533851    -12.67493387
  O      9.99846296      5.13657513    -11.77226818
  H     16.50519975      8.29996397     -8.04925825
  H     12.35687224      7.05286194    -10.79811208
  O     12.20107949      6.20735898    -10.35580443
  H     14.64827659      8.36207079    -11.47297132
  H     11.37140247      5.85948329    -10.70733895
          69
 Energy    -248.06873371411336     
  O      7.69045263     -1.92110679      3.57928428
  H      7.46139266     -2.79147019      3.23482580
  H      5.15213391     -2.90001873      5.18367539
  O      1.89264451     -6.49406406      6.15161153
  H      7.49984506     -1.29058743      2.87293563
  H      4.23612197     -0.99987055      8.47214269
  O      1.12135343     -2.96713254      0.53515691
  H      1.01804262     -6.10025068      5.97645104
  H      3.64124854      0.20537631      9.23927663
  O      5.29566642     -2.37493223      8.30185746
  H      1.74104757     -7.39878234      6.41101362
  H      3.71093117     -5.94267877      2.41061680
  O      3.47321713     -4.44351117      7.34890418
  H      0.64733645     -2.67991870     -0.24077911
  H      4.28389935     -7.15191735      1.63428486
  O      4.59691480      0.76643308      2.87604348
  H      1.90273855     -3.45848373      0.22376253
  H      3.40251887     -4.59378140      4.10727575
  O     -0.40912860     -5.26373485      5.48858175
  H      4.84082151     -3.20823319      8.13617215
  H      2.50600805     -5.78414837      4.53399584
  O      6.80105101     -0.10875681      1.56514238
  H      5.73976778     -2.13361755      7.47481050
  H      5.88661981     -1.62898072      0.97043724
  O      1.85273976     -2.16482026      7.21592883
  H      2.96118239     -5.21800884      7.08759289
  H      5.70353276     -3.06370294      1.53616107
  O      2.05495299     -1.18460927      4.66741219
  H      2.85716466     -3.69530004      7.34828708
  H      5.50502823     -0.74534745      5.62709740
  O      4.04861884      0.44159094      5.66143075
  H      4.47286050      0.85853893      3.82818003
  H      6.74365634     -1.53595393      5.05641110
  O      4.70934082     -3.73269347      4.97287708
  H      3.91303492      0.15492746      2.57325232
  H      1.20234464     -4.42375267      3.26128518
  O      3.57449121     -0.28545857      8.42487895
  H     -0.34225734     -4.91875246      4.58893373
  H      0.45363983     -3.73100335      2.11212785
  O      4.31561618     -6.20032467      1.69446360
  H     -0.63793025     -4.51257641      6.05097432
  H      3.70776032     -4.96956802      0.35536446
  O      2.77228348     -5.25048275      3.77436950
  H      6.05453883      0.28948651      2.04837860
  H      4.13884141     -3.53861011      0.00841489
  O      5.33388618     -2.41777017      0.91694505
  H      7.24769074      0.60063977      1.11167961
  H     -0.35145507     -2.55291782      3.87947002
  O      6.09329433     -1.49686004      5.77246197
  H      1.96494845     -1.91156144      6.28590763
  H     -0.86423426     -2.08824835      5.25801345
  O      0.34123947     -4.05897542      3.01283857
  H      2.31966220     -1.49841186      7.73495564
  H      5.77762003     -4.17362213      3.56697011
  O      3.44373378     -4.19224724     -0.15102502
  H      1.09349860     -1.21612593      4.55545973
  H      5.79642852     -5.07583057      2.31891089
  O     -0.59331358     -1.76678314      4.39038384
  H      2.43907450     -1.39035809      3.80500754
  H     -1.30362626     -2.66569701      7.79590455
  O      6.24252254     -4.32643108      2.73029954
  H      3.93233370      0.41940986      6.61785847
  H      0.12366985     -2.64724612      7.20042932
  O     -0.79309730     -2.92238979      7.03232025
  H      3.29786836     -0.05701466      5.30145069
  H      2.26855438     -1.84586330      1.57944783
  O      2.98840801     -1.47819670      2.10450974
  H      4.36913492     -4.06993121      5.81249609
  H      3.80570943     -1.84076041      1.73661428
          69
 Energy    -248.06869872075777     
  O     10.30641221     11.65267664    -11.98307576
  H     10.82437740     11.50373068    -11.17230854
  H     12.44955875     11.88486452     -9.51534424
  O     14.36488037     10.18107530    -12.76431333
  H      9.38755539     11.63491618    -11.72583270
  H     12.22332219     11.37477061    -15.93754803
  O     17.70335077     12.12658358    -13.29509372
  H     15.28231779     10.08953473    -12.47727527
  H     12.19158543     12.73713104    -16.66264402
  O     14.64370292      6.68829204    -13.41564466
  H     13.86263676      9.45560062    -12.37235667
  H     15.03141964     13.48905740    -13.25477287
  O     11.61610104     13.44692452    -13.69721404
  H     17.92419017     11.75017446    -14.15631546
  H     14.95332493     14.57439290    -14.33053206
  O     13.26914838     15.40294672    -14.82565273
  H     17.10797645     12.86241692    -13.47968464
  H     18.47794253     11.38216995    -16.64795631
  O     15.37514098     12.03533698    -16.09633020
  H     15.56025674      6.90078069    -13.19972985
  H     17.02755540     11.40141369    -16.11068215
  O     13.22402400      8.82346033     -9.24770191
  H     14.53053843      6.91997933    -14.34488373
  H     14.21495126     13.85620914     -9.14498835
  O     13.82032601     12.77881644    -12.14730957
  H     11.57556213     12.99024778    -14.55443533
  H     13.98327801     13.00640054    -10.41843143
  O     13.42490714     10.08122252    -15.32868733
  H     11.04917203     12.94837887    -13.09572775
  H     17.28991142      8.08352717    -14.69599664
  O     17.33073268      7.56729763    -12.89016580
  H     12.62475151     14.81197840    -14.40288816
  H     17.45903205      9.24120869    -15.71383448
  O     11.77907672     11.22716631     -9.73617757
  H     12.90641440     16.28381217    -14.76894259
  H     15.11892717     11.39875835     -9.35001204
  O     11.67761334     12.15790384    -16.08216218
  H     14.70987007     11.36707604    -15.89104040
  H     14.81001070      9.89530334     -9.33176134
  O     15.52810244     13.87866088    -13.99046187
  H     15.41280903     12.64844093    -15.34697139
  H     14.49053952      7.10894590    -16.90235879
  O     17.91956509     11.04743498    -15.95036230
  H     13.05604897      8.12593112     -8.61949693
  H     15.48476300      7.90958529    -16.02203366
  O     14.01879478     12.97313489     -9.44604136
  H     13.09178272      8.44141474    -10.13341070
  H     13.46996323     14.52067887    -16.57538928
  O     17.09363018      8.35576175    -15.60156000
  H     13.04056121     13.03252827    -12.65872275
  H     14.25436748     13.29998447    -17.08267125
  O     15.52446323     10.53115159     -9.46346645
  H     13.97149387     11.83400124    -12.30184820
  H     11.68244675      9.59842127    -14.22780330
  O     14.54570733      7.67141659    -16.13460215
  H     13.77900295     10.13721192    -14.42709203
  H     10.84775226     10.13831481    -13.04598445
  O     13.51900542     13.88650385    -17.30102438
  H     13.71994022      9.23679925    -15.69442872
  H     17.27898900     10.79071156    -12.17931574
  O     11.17058547      9.32807915    -13.46009005
  H     17.24068103      8.41911751    -12.42862514
  H     16.55890733     10.22022979    -10.88489474
  O     16.93481794      9.99394688    -11.74902104
  H     18.02104929      7.08432484    -12.44321585
  H     12.17172737      8.33095745    -12.35033991
  O     12.88986996      7.99489595    -11.79370684
  H     12.17532495     10.37515829     -9.51649905
  H     13.45297410      7.41739207    -12.33143187
          69
 Energy    -248.06863652593276     
  O     16.87590782     12.55609818    -14.42708421
  H     17.23129847     12.05472069    -15.17122549
  H     16.68065465      3.08783384    -13.19963784
  O     13.90499644      7.11758852    -12.77734983
  H     17.44777395     12.36122248    -13.67484993
  H     19.06445960     10.21984008    -15.06110536
  O     15.55052215      7.66781014    -10.51283173
  H     13.85547224      6.34298601    -13.35702432
  H     19.28329523     10.51846582    -13.56673499
  O     18.41814182      7.48071212    -13.72070783
  H     14.62291630      7.66509229    -13.13451210
  H     15.79983227      9.04151479    -14.62262626
  O     12.33011855     10.34624094     -9.72397964
  H     14.98348714      7.38866109    -11.24470749
  H     16.06089465      9.39014015    -13.10657501
  O     12.24650033      9.32744466    -13.32593643
  H     14.96321373      7.79713907     -9.75671130
  H     14.03566400     13.88820135    -14.35590842
  O     16.23786224     10.23598112    -11.43066414
  H     17.51403418      7.82772742    -13.72947059
  H     15.19544179     12.86715617    -14.26095630
  O     15.36843658      6.56525933    -16.82844703
  H     18.98515007      8.24333427    -13.89554135
  H     12.48616737      7.15483091     -9.89414428
  O     10.34799153      8.95713109    -11.27997601
  H     12.83405205     10.83008712    -10.39117190
  H     12.60919239      6.80581133    -11.39085008
  O     17.56212025      5.58941756    -15.58550612
  H     11.54885220     10.00917775    -10.18017290
  H     12.84499667     10.16619690    -14.90524044
  O     14.12918759      5.13840441    -14.59596390
  H     12.75030280      8.51229990    -13.19981810
  H     13.58947820     11.48657109    -15.17860106
  O     16.46724677      3.96509997    -13.50569717
  H     11.47302641      9.26461605    -12.75176899
  H     17.91356547      6.37789901    -12.31533796
  O     19.55101824      9.92700623    -14.28067030
  H     16.10026499      9.37421459    -11.01486848
  H     16.87962532      6.39868246    -11.16602860
  O     15.90426979      8.67597351    -13.73584016
  H     15.37201561     10.65921156    -11.52451782
  H     13.13722149      8.99363073     -8.95832557
  O     14.23419386     12.97974109    -14.14611935
  H     15.27493615      6.14357621    -17.67943265
  H     13.45939563      8.17165678     -7.68606757
  O     11.97714900      6.87061459    -10.66403235
  H     16.19993592      6.23315742    -16.44233150
  H     17.07079847     10.27722477    -16.51290055
  O     13.34917665     10.64179394    -15.57818404
  H     10.82724368      8.14267398    -11.04147591
  H     18.16569195     10.99646102    -17.33338468
  O     17.39247636      5.80945689    -11.72970158
  H      9.41751028      8.76085476    -11.21550216
  H     13.88039281     11.98259430    -12.62851474
  O     13.53612213      8.16531940     -8.63620004
  H     18.02226501      6.24206776    -15.03960269
  H     13.24310766     10.58911988    -12.44455589
  O     17.86518959     10.83363073    -16.44280945
  H     17.26911551      4.90690243    -14.96909680
  H     18.89540405     12.03630579    -11.51802261
  O     13.74195091     11.27850275    -11.98253271
  H     14.88443667      4.64253082    -14.25003563
  H     17.69611133     11.12476364    -11.86746175
  O     18.43366493     11.63181410    -12.24795014
  H     14.44340974      5.59652675    -15.38442993
  H     14.73308392      9.78024513    -16.24792808
  O     15.58263716      9.34119288    -16.41429299
  H     16.77162889      4.58213798    -12.81647171
  H     15.42796615      8.41161302    -16.62587563
          69
 Ord_Energy   -248.068634    
 O    4.97217751      -1.30790007       8.79323387    
 H    4.29041052      -1.43705451       9.46407700    
 H    5.24628639     -0.380396277       8.85235214    
 O    4.03089857       4.76885176       6.87754631    
 H    3.86894035       5.70344448       6.97319984    
 H    4.99879742       4.65316868       6.84824610    
 O    2.75169683      -1.42566454       10.5545378    
 H    2.67591715      -1.68567550       11.4689722    
 H    2.36260056     -0.536016226       10.4832535    
 O    7.39600229      -1.60732698       7.29294205    
 H    7.25885010      -2.22990799       6.56899977    
 H    6.60762978      -1.65733194       7.84598017    
 O    1.06663954      -2.20758605       8.34364033    
 H   0.490336657      -1.43686736       8.27257633    
 H    1.57822645      -2.07928848       9.15295219    
 O    6.69079447       4.37131023       6.71552706    
 H    7.19694471       3.90940595       7.39517879    
 H    6.97112894       3.99446130       5.87034369    
 O    5.23149395      -7.69938007E-02   3.37033319    
 H    5.09079790      0.751372337       2.90049767    
 H    5.32391262      0.174878180       4.30149984    
 O    3.33150172       2.92488813       4.87493372    
 H    3.49818063       3.64217758       5.50193405    
 H    2.71454763       2.30892110       5.29538679    
 O    5.45944452       1.26015890       5.82880688    
 H    6.21747398       1.75521278       5.48787737    
 H    4.68172789       1.78501344       5.60065842    
 O    2.05630398       1.10282278       6.52077198    
 H    2.45408487       1.58973694       7.25825500    
 H    2.47343826      0.228378192       6.48931694    
 O    6.92215872      -3.31651974       5.06245041    
 H    7.01737165      -4.26401901       5.01987600    
 H    5.99164629      -3.11919093       4.85272741    
 O    4.39308786      -2.54519224       4.44623137    
 H    4.53748846      -1.76776481       3.89218998    
 H    3.87839556      -2.23389077       5.20386124    
 O    9.23882294      0.978368461       4.08222532    
 H    10.1052494      0.945000947       3.68640494    
 H    8.77590370      0.163242936       3.81581450    
 O    7.80806112      -1.19111574       3.39442277    
 H    7.66361952      -1.97429049       3.93902946    
 H    6.92619991     -0.833287120       3.22431397    
 O    8.09529495       2.73452759       8.57387638    
 H    8.40369511       2.02657199       7.97520924    
 H    8.79665184       2.89234543       9.19890118    
 O    7.24295235       2.90789247       4.39218235    
 H    6.60514927       2.86330414       3.66962600    
 H    7.97422266       2.30810547       4.19088554    
 O    3.24591637       2.61608291       8.55189133    
 H    3.42970872       3.44772553       8.10040283    
 H    4.10407829       2.18252039       8.67787838    
 O  -0.190542907      0.374058455       7.98610020    
 H   0.498242736      0.658438563       7.36314297    
 H   -1.02711010      0.631596208       7.60725880    
 O    5.66914845       1.34762907       8.57087803    
 H    5.64693165       1.23487687       7.60636282    
 H    6.48810196       1.81675279       8.76670265    
 O    3.13594055      -1.44571435       6.68539572    
 H    2.38395715      -1.84628582       7.14556694    
 H    3.85836577      -1.40753460       7.32713127    
 O    8.75988579      0.757223725       6.91299915    
 H    8.30911827      -9.02106911E-02   7.05284214    
 H    9.00935841      0.795829654       5.98510456    
 O    4.95287228       2.67913485       2.65492034    
 H    4.62503481       3.15410876       1.89553130    
 H    4.30875015       2.81645536       3.37068915    
 O    1.57903790       1.00136673       10.1515369    
 H   0.848575771      0.844451547       9.54026890    
 H    2.13289046       1.67355108       9.73297882    
          69
 Energy    -248.06822619065832     
  O     15.41278370      9.82087927    -15.57177564
  H     15.87687782     10.33942507    -16.25474959
  H     17.61013432     11.44924722    -17.58254345
  O     20.84714978     10.35144479    -16.13720058
  H     14.75394472      9.29845863    -16.02120025
  H     19.37286707     10.08927393     -8.94169778
  O     19.62921695     13.14939158     -9.93245888
  H     21.07172186     11.11219605    -15.58066067
  H     19.37216463     11.39944048     -9.75876384
  O     15.12933264     12.16645533    -11.43798819
  H     20.66340114      9.63313786    -15.52232997
  H     20.76010714     16.28746257    -11.93750744
  O     21.21555918     10.10501673    -11.86022388
  H     18.89175092     13.28154901    -10.54844231
  H     19.25279264     16.44961777    -12.22145418
  O     16.84785591      9.86442261    -11.31770048
  H     19.75159838     13.98537316     -9.46189736
  H     21.03841658     13.00451147    -11.10666137
  O     19.42081953     11.68446425    -18.01220044
  H     14.95697609     12.19627133    -12.39669553
  H     21.73610879     11.81760429    -11.79372149
  O     20.51396051     15.21584847    -14.90218187
  H     14.30246309     12.35467509    -11.00287175
  H     17.25961812      9.39212203    -12.94631928
  O     19.89198920     15.69611887     -8.98912156
  H     20.92194648      9.56115390    -12.59989726
  H     16.79611369      9.33791809    -14.44478971
  O     21.00530015     12.52601999    -14.46296283
  H     20.51263330     10.07276860    -11.19952698
  H     19.21094079     13.52918043    -17.45837506
  O     14.82078528     12.24633533    -14.12911063
  H     17.60784065     10.07493701    -10.76073151
  H     19.61343864     14.73281287    -16.56052565
  O     16.69994968     11.46881388    -17.26113816
  H     16.23637837     10.60767521    -11.25461897
  H     22.16856687     14.45193591    -12.32024687
  O     19.20826468     10.44278180     -9.81301495
  H     19.92633599     11.15769597    -17.36883514
  H     23.17477274     15.60502896    -12.52164055
  O     19.93763247     16.63343948    -11.56875158
  H     19.79931793     11.50336522    -18.86891466
  H     17.50611691     15.20503989    -14.19392763
  O     21.71348387     12.78688973    -11.76432375
  H     19.68346074     15.35570234    -14.42367413
  H     17.93073219     14.85337659    -12.76945434
  O     17.56167256      9.27157459    -13.86164020
  H     21.21882305     15.41078436    -14.27229944
  H     20.26501943      7.57258679    -14.04142388
  O     18.91877463     14.39159266    -17.13692841
  H     19.87504886     16.11068894     -9.86873028
  H     19.21993325      8.71058350    -13.99658117
  O     22.26559148     15.35430106    -12.66652757
  H     19.79557155     16.40570393     -8.36046158
  H     18.10711992     11.02881255    -13.98529851
  O     18.08734930     15.49176475    -13.48173058
  H     21.29026624     12.55732590    -13.54099897
  H     19.27210256     12.05742452    -14.18490844
  O     20.17320721      8.52236116    -14.04039602
  H     20.86102486     13.44087377    -14.73851109
  H     17.46898102     14.10320605    -16.14675880
  O     18.33289109     11.96595191    -13.98065550
  H     14.92954769     11.40640907    -14.59174480
  H     17.34854225     13.11290554    -14.96398668
  O     16.84455975     13.75679836    -15.48937022
  H     15.33786773     12.89549879    -14.62157710
  H     16.72876983     13.08244148    -11.52114164
  O     17.61715071     13.37637406    -11.75503753
  H     16.60740336     12.31716425    -16.81261098
  H     17.90598799     12.81479786    -12.49212517
          69
 Energy    -248.06807000754640     
  O     10.37039201     14.26960206    -12.57489459
  H      9.68173269     14.87279696    -12.84428880
  H     12.44434092     12.60316878    -13.91664800
  O     13.65605681      9.02001007    -17.49448432
  H     10.37751544     13.56253950    -13.23819363
  H     16.81151261     10.72286607    -11.93845895
  O     11.59835011      8.78475599    -11.51351734
  H     13.90948085      9.93929800    -17.65003144
  H     15.40120996     10.23732030    -11.53345892
  O     14.20691771      9.20650720    -14.80899161
  H     12.69144979      9.01425111    -17.45035845
  H     14.90627117      8.11135037    -13.50025053
  O     12.76876177     12.07992885     -9.45496804
  H     12.14618684      8.00318681    -11.35369940
  H     15.82678692      8.38444291    -12.30009955
  O     14.35606324     11.81166975    -17.46294837
  H     11.32184812      9.11517184    -10.64915994
  H     14.14025650      7.04115299    -11.60917370
  O     11.49922108      9.50844709    -14.18700325
  H     14.09814241      8.98582997    -15.74568427
  H     13.42877665      5.80156680    -11.01491116
  O     13.67663045      8.40923156     -8.65981341
  H     14.70312515     10.03403991    -14.77545444
  H     16.69470818     12.87157312    -12.23475537
  O     13.70202614     10.67806931    -11.66327658
  H     12.13296189     11.44669221     -9.10650095
  H     18.11128479     12.74602887    -12.84151621
  O     11.31084384      9.70709590     -8.84271006
  H     13.19286626     11.61942297    -10.19633794
  H     10.88519328     11.28761142    -14.26550100
  O     15.70483066     13.71685427    -11.10243336
  H     14.81318165     11.83067727    -16.60659216
  H     10.93304645     12.32400319    -15.41062800
  O     13.32068475     12.71147658    -13.52641740
  H     14.88826135     12.32513928    -18.06624199
  H     14.49193613     12.34718085     -8.72577857
  O     16.34526638     10.00863544    -11.49004428
  H     12.44897092      9.42760785    -14.36371162
  H     15.76352693     11.49688711     -8.58025098
  O     15.27882799      7.70157445    -12.70727653
  H     11.35797643      9.19040246    -13.28629075
  H     14.67133177     12.18784525    -14.46718592
  O     13.45527884      6.75362754    -10.97813029
  H     14.54929155      8.81977358     -8.62985923
  H     16.18030472     11.91599532    -14.32459458
  O     17.25431051     12.32880741    -12.82192370
  H     13.69580995      7.77264641     -9.38539894
  H     12.45455968     12.06309960    -17.25111696
  O     10.76230910     12.22586674    -14.46105367
  H     13.54082523     11.32652760    -12.36161659
  H     11.22663482     11.13599911    -17.18466677
  O     15.45523622     12.40572077     -8.66532731
  H     13.00167002     10.01588769    -11.69662860
  H     16.38414081      9.72938060     -9.73873474
  O     15.42688900     11.76118822    -14.90502744
  H     10.73250213      9.46978099     -8.12299730
  H     17.06739244      9.29240669     -8.42180365
  O     11.50339324     12.05655291    -17.08967211
  H     12.16043975      9.25455599     -8.68309567
  H     12.72081178     13.60857039    -10.54310997
  O     16.24867830      9.62503052     -8.78157250
  H     15.72765635     13.30831054    -10.22364975
  H     11.95497408     14.38291064    -11.64253097
  O     12.83770751     14.23286476    -11.27300222
  H     14.83286716     14.11586422    -11.18312478
  H     10.07938420      8.75441882    -17.05545055
  O     10.86532735      9.26561558    -16.87973418
  H     13.23404981     13.33272417    -12.79059502
  H     10.98439611      9.27253159    -15.91563538
          69
 Energy    -248.06799465213425     
  O     15.95333148     11.18155561    -10.66719648
  H     16.02906490     11.52103289    -11.56957961
  H     19.76104209      8.95673661    -13.15367791
  O     14.11455158      7.72482345    -14.78819732
  H     16.60795249     10.47349844    -10.59676720
  H     16.02955271      9.88868523    -13.42894877
  O     15.68493234      5.69550620    -11.65497210
  H     14.50159595      6.84471058    -14.86145854
  H     16.51989968      8.83941839    -12.42601260
  O     19.83058597      6.98007121    -13.33742165
  H     14.70615005      8.21493192    -14.19526937
  H     14.40024421     10.51789653    -10.35526732
  O     13.66135949     11.91501285    -14.74764528
  H     15.28675232      4.84321775    -11.43266423
  H     13.14943096     10.48155652     -9.44632710
  O     12.16610381      5.03798927    -10.61610079
  H     15.01938282      6.37469187    -11.47027618
  H     13.70073910      3.48824136    -13.00513579
  O     11.85570000      7.74333232    -13.29167303
  H     19.35255743      6.66761847    -12.55312910
  H     14.14209521      4.25391282    -14.26414333
  O     17.39672889      9.63692516    -16.62751175
  H     20.62961663      6.46169157    -13.39825871
  H     12.03215696      9.59256064    -13.02514914
  O     11.03635321      5.04553380    -13.25070487
  H     13.09708171     12.63722561    -15.01040109
  H     12.74768313     10.42534025    -11.94564164
  O     17.58926638      7.31032035    -15.00898798
  H     13.17198731     11.40974630    -14.07319012
  H     18.53700613      5.69034147    -10.33166941
  O     14.64213331      9.89174633    -16.53233771
  H     12.59602884      5.90402182    -10.59704678
  H     17.38008662      5.99541065    -11.31054341
  O     19.52812973      9.82584248    -12.80810425
  H     11.62263084      5.03263016    -11.41450683
  H     15.67774899      5.50134509    -13.52278013
  O     16.07674573      8.93566032    -13.27692184
  H     12.58170655      7.72842643    -13.93688173
  H     16.37038709      5.90409239    -14.83771504
  O     13.52915557     10.09985456    -10.23315091
  H     11.43218532      6.87817720    -13.32781762
  H     14.22250479      2.57306096    -10.60503491
  O     13.38686262      3.80705239    -13.86008688
  H     17.53051412      8.74641350    -16.28245347
  H     13.45319948      3.89351685    -10.86002175
  O     12.39092770     10.47014882    -12.84064029
  H     16.43772384      9.75748394    -16.70165142
  H     18.11210913     10.80363101    -15.59925856
  O     18.30880191      6.20014946    -11.10537475
  H     10.30388439      4.58773409    -13.65441568
  H     18.99985533     12.06042522    -15.42588299
  O     15.63384683      5.38787221    -14.48310468
  H     11.84744864      4.59980197    -13.55408745
  H     13.63418559      8.30463349    -10.69680682
  O     14.22536027      3.36505380    -11.13489457
  H     18.42838713      7.14925590    -14.56194538
  H     13.00363549      7.53521906    -11.87551326
  O     18.46851914     11.43209375    -14.94459533
  H     17.09301335      7.92061482    -14.44126234
  H     18.37635800      9.38372672    -11.53790096
  O     13.58560397      7.43354952    -11.10860348
  H     14.35388258      9.08556039    -16.08505174
  H     17.93554962      8.08788083    -10.80989872
  O     17.68962970      9.00432689    -10.96336801
  H     14.26770767     10.61873610    -16.02125323
  H     15.33794360     11.92391191    -13.95764688
  O     16.12002791     11.72761738    -13.42540553
  H     19.21907378     10.35592274    -13.55335311
  H     16.90427608     11.77712145    -13.98700306
          69
 Energy    -248.06786543099946     
  O      0.48705483     -1.10413617      5.58621197
  H      0.23000637     -0.16910818      5.49411706
  H     -1.82401863      3.85091370      0.06118193
  O      2.70992797     -1.29741364     -2.18979796
  H      0.88693949     -1.18836780      6.44866773
  H     -3.38762668      0.87930033      5.15561576
  O     -2.26675236     -2.06753056      5.67728355
  H      3.25988290     -1.08325869     -1.41521650
  H     -3.22828524     -0.68275848      5.18171007
  O      0.27399197     -0.58368693     -0.96730941
  H      3.24459728     -1.13751567     -2.96242032
  H     -0.47244496      2.59450502      1.95747220
  O      1.90708064     -3.74006378     -0.84073423
  H     -2.51243876     -2.73537085      5.02397617
  H      0.69210008      1.55690852      2.10727026
  O      3.39913012     -3.22252523      1.58833691
  H     -1.32559454     -1.88621800      5.57314080
  H     -1.25283714      0.30283172     -0.53002830
  O     -3.71211787      2.93486224      2.89417727
  H     -0.11029632     -1.46247901     -0.82506837
  H     -2.09016332      0.29836491      0.78115406
  O     -4.57311211     -2.15277426      1.88766657
  H      1.04585091     -0.71446470     -1.53098246
  H     -1.15412448      0.62630597      2.69426647
  O     -0.23055382      1.49225385      5.26985799
  H      2.42223654     -3.66173429     -0.02888696
  H     -2.43624653     -0.03546387      3.26841070
  O      3.97649256     -0.80667461      0.16962764
  H      2.21413493     -3.02644690     -1.41305192
  H     -0.85709104     -3.06878064      0.49396778
  O     -5.35114403      0.54197369      2.67573319
  H      2.75054554     -2.83992864      2.20219178
  H      0.11804984     -3.49210028     -0.64181107
  O     -1.83525859      3.19190744      0.75035215
  H      3.91052823     -3.85360371      2.08879668
  H      0.61774744     -2.38862920      2.78637896
  O     -3.65918026      0.05724847      4.72962419
  H     -4.29036888      2.20294867      2.64745565
  H      1.25220506     -1.70059479      4.01127329
  O      0.04528422      2.08911470      2.59434125
  H     -3.11878100      3.08408956      2.14879412
  H     -3.12219241      2.83412863      4.54519861
  O     -2.07479385      0.62513664     -0.13173905
  H     -4.89234909     -1.26015173      2.05077893
  H     -3.18348891      3.32468649      6.01172600
  O     -1.78816834     -0.08858914      2.55652691
  H     -4.20501751     -2.14837657      0.99122615
  H      1.56508334     -0.53339969      1.99879412
  O     -0.75180125     -3.10371160     -0.46809964
  H      0.00306449      1.81683503      4.38831487
  H      1.12459783     -0.07710480      0.57554324
  O      1.44904126     -2.01774184      3.12102154
  H     -1.07685850      1.90668613      5.47266405
  H     -3.67105058     -4.60143697      3.63635120
  O     -2.83573592      2.63356525      5.45480318
  H      3.31300441     -0.26450260      0.61700488
  H     -3.76658893     -3.19359045      2.99963014
  O      1.61038286      0.19701920      1.36683212
  H      3.97051585     -1.64788364      0.64413158
  H     -1.31214988     -1.79610230      2.32547477
  O     -3.22256557     -3.76272924      3.57636906
  H     -6.27032580      0.60379869      2.92719017
  H     -1.71125078     -3.24625722      2.68919443
  O     -1.02875814     -2.72116222      2.25431672
  H     -4.85523565      0.31909047      3.48458329
  H     -2.53954066     -2.45274724     -0.70322574
  O     -3.34980731     -1.93944037     -0.58852919
  H     -1.97084303      2.33138667      0.31696556
  H     -3.07850890     -1.01508025     -0.62515959
          69
 Energy    -248.06776661407656     
  O     13.00682990     11.50377004    -14.93304110
  H     13.76421869     12.06626460    -14.72919619
  H     13.33014000      6.27948806    -16.12132040
  O     15.20579493      6.10965744    -13.54818183
  H     13.32161134     10.84660024    -15.56495535
  H     20.56522756      6.33184808    -14.30141224
  O     17.74293550      8.96486632    -11.34978844
  H     14.79225359      5.84077924    -14.38315768
  H     19.78631971      7.62420138    -13.94070840
  O     18.79764208     10.51196007    -15.90939081
  H     14.51903592      6.36838009    -12.91901513
  H     15.57286062     10.82458613    -16.79829120
  O     12.01512310      7.69114948    -16.26902444
  H     17.15975596      8.99611929    -10.57709709
  H     16.01419194     12.00056346    -15.90165378
  O     15.72242292      8.96017447     -9.45790282
  H     17.69164166      8.05891587    -11.68402123
  H     15.59287460      7.69640812    -14.28216690
  O     13.45168007      7.12298454    -11.65856422
  H     17.92053397     10.84838450    -16.16249427
  H     16.66400177      8.27517979    -15.24200679
  O     16.12546313     10.54526376    -12.93254267
  H     19.43593687     11.04323556    -16.37950053
  H     12.03535384     11.00935542    -13.59909082
  O     15.75895265      7.18645572    -17.81655550
  H     11.18850014      7.50664231    -16.70696704
  H     10.82817298     11.26037281    -12.66013382
  O     14.67217252      6.26390409     -9.26110682
  H     11.82002366      7.76246757    -15.31723380
  H     17.37946910      5.56185788    -10.73645327
  O     18.08616247      7.82829942    -16.30166814
  H     15.01576561      9.38764686     -9.95973231
  H     17.94783036      5.08677628     -9.38923190
  O     14.13066257      5.75288862    -16.01738011
  H     15.39383574      8.07504288     -9.26214750
  H     12.10055584      7.50966174    -12.93628529
  O     19.68979054      6.70702825    -14.25867375
  H     13.75867833      6.73147155    -10.83169821
  H     11.45971858      8.85774313    -13.32000682
  O     16.31853602     11.40063335    -16.59523071
  H     13.62010854      8.07364341    -11.58072700
  H     19.08226160      9.34388463    -12.65924125
  O     15.89688549      8.51032923    -14.70462504
  H     16.01715782      9.88071424    -13.63125615
  H     19.30269403      9.82934067    -14.12474761
  O     11.56729392     10.67785538    -12.81102162
  H     16.74039961     10.14689410    -12.30317105
  H     18.34823420      6.29811320    -13.00597299
  O     17.12964093      5.24758219     -9.85252989
  H     15.27729559      8.01207543    -17.70779373
  H     16.80725055      6.15002000    -12.80111700
  O     11.56939686      7.94503772    -13.61435240
  H     16.63421503      7.34197268    -17.43693103
  H     14.59017748     10.17652467    -11.96926595
  O     19.67014720      9.27879013    -13.42318434
  H     14.31045757      5.82350875     -8.49631340
  H     13.04945363     10.23148383    -11.77638449
  O     17.64905464      6.29851946    -12.34276260
  H     15.52899256      5.84262343     -9.44737594
  H     15.74495699     12.05713757    -13.72980530
  O     13.86594963      9.87913274    -11.40197760
  H     18.43961200      8.72840156    -16.28954754
  H     15.69965457     13.60123897    -13.84958072
  O     15.44461110     12.79519835    -14.28984613
  H     18.64169590      7.30378695    -15.71159670
  H     13.37660758      8.89604966    -16.62097640
  O     14.15753229      9.46614249    -16.60151714
  H     14.74392196      6.09045016    -16.68558222
  H     14.73092151      9.10812040    -15.90392409
          69
 Energy    -248.06767600244461     
  O      1.35329134     11.04647047      1.43990774
  H      0.91661680     11.06331919      2.29883880
  H      4.54343037      7.43520432     -0.46923533
  O     -2.76942145     11.42361804     -0.89819953
  H      0.78136381     11.56041656      0.84496956
  H     -1.77218890      8.48162400     -0.58071282
  O     -2.37645113     10.53553602      1.78254910
  H     -2.64534215     10.65103828     -1.46463559
  H     -0.46755791      8.41276075      0.21975190
  O      3.37166347     13.24935593     -1.95296723
  H     -2.79325413     11.10673654      0.01500356
  H      3.53592624      8.74744489     -2.50417882
  O      5.20519538     10.54540253     -0.37334645
  H     -2.07300917      9.71139771      1.37257363
  H      2.35965518      9.37215908     -3.28012757
  O      5.04420020     11.35651418     -3.13304420
  H     -1.67950007     10.82094007      2.38708580
  H     -2.54116536     14.52465320     -0.65832680
  O      1.31222353      8.85228654     -0.19568731
  H      3.44542883     12.98326091     -1.02473704
  H     -2.92152286     13.27268173     -1.45513474
  O     -0.24865783     12.42680330     -0.25688275
  H      4.00611801     12.71351611     -2.44484999
  H      0.81179361      9.49483429     -1.82852526
  O     -0.49789817     14.92960554     -2.90810511
  H      4.76545230     11.24847067      0.12200726
  H      0.62986009     10.71625328     -2.79942718
  O      3.55406472     12.55469900      0.75255451
  H      5.30964109     10.87518905     -1.27446366
  H     -2.47328986      8.64192526     -3.13466505
  O     -3.75109598     12.90578335      2.21371734
  H      5.68216121     11.31973842     -3.84025413
  H     -1.17989603      9.31702500     -2.62263175
  O      3.97261309      8.15276160     -0.72985380
  H      4.42096432     10.62148016     -3.27609969
  H     -2.47205520     13.96848385      1.49658695
  O     -1.42922737      8.40657186      0.31720064
  H      1.37949429      9.58530428      0.43407658
  H     -1.16565991     13.80487931      0.65249856
  O      3.31805043      9.26417565     -3.29051137
  H      2.20169480      8.49792011     -0.31209662
  H      2.12266228     15.22734716      0.61912163
  O     -2.74560617     14.21728688     -1.55199890
  H      0.21102897     12.54953970     -1.09566074
  H      2.88696037     15.84947387      1.80783438
  O      0.54330622      9.75435642     -2.72342909
  H     -1.09981316     12.02449827     -0.47846887
  H     -0.50867123     14.39908839      2.46928476
  O     -2.10845146      9.13074524     -2.40179829
  H     -1.32900586     14.69475004     -2.45945689
  H      1.02373408     14.38816930      2.58834865
  O     -1.74514326     14.45544224      1.07703056
  H     -0.72209098     15.57005113     -3.57806893
  H      0.39202323     13.31365363     -3.02912455
  O      2.46181091     15.04732142      1.51388918
  H      3.32985080     13.42356513      1.10807337
  H      1.77988229     12.74485166     -2.60138571
  O      0.21867176     14.08819616      3.02582806
  H      2.84497017     11.96264253      1.04374372
  H      2.37329136     14.80110676     -1.51586991
  O      0.86945828     12.49963056     -2.82183656
  H     -4.69849869     12.82404515      2.13159658
  H      0.93573367     15.34665438     -1.62380727
  O      1.73688044     15.39248317     -1.09124398
  H     -3.39749524     12.00577604      2.14364799
  H     -0.16626631     12.44388669      3.44037995
  O     -0.35766936     11.49834278      3.58079331
  H      4.44523811      8.97926571     -0.52357455
  H     -0.42050598     11.36784218      4.52298889
          69
 Ord_Energy   -248.067474    
 O   0.382007778       9.67403221      -7.90978193    
 H   0.133034036       9.28154659      -7.06085014    
 H   0.880799770       8.99913311      -8.38795853    
 O    3.76963234       11.6773653      -9.88494396    
 H    3.83665037       11.9022903      -10.8218775    
 H    3.98609543       10.7395468      -9.81529999    
 O    3.10435772       9.39148331      -12.4823160    
 H    3.54367495       9.14203548      -11.6583471    
 H    3.33168626       10.3134651      -12.6646891    
 O   -2.52843785       11.9487648      -10.5253487    
 H   -2.83825278       11.7555027      -11.4189291    
 H   -1.86584139       12.6439943      -10.6063948    
 O   0.852644384       6.57710028      -11.3923035    
 H    1.15455985       6.74624586      -12.2927952    
 H   -4.13158201E-02   6.93507051      -11.3361330    
 O   -2.27686739       9.88461494      -8.77541256    
 H   -1.35257840       9.89418888      -8.48796558    
 H   -2.42581916       10.6590681      -9.33885479    
 O    3.63964343       12.1211996      -12.7088575    
 H    4.24766684       12.6196108      -13.2480774    
 H    2.77415323       12.5628424      -12.7840338    
 O   -2.87160969       8.56371403      -13.2229376    
 H   -2.15414548       8.45698929      -13.8662634    
 H   -2.49949837       8.30275249      -12.3726196    
 O  -0.521526992       11.2500257      -13.7532759    
 H   -1.47391391       11.3692970      -13.6474895    
 H  -0.211253464       10.8280306      -12.9373617    
 O  -0.516285479       8.16624641      -5.79374409    
 H  -0.107805952       7.34499645      -6.09619808    
 H   -1.45278430       8.09163094      -6.01649618    
 O   -1.70275187       6.24785519      -8.63397121    
 H   -1.61947060       6.75711393      -9.44745064    
 H   -2.30639172       6.74705267      -8.06752014    
 O    1.85601282       7.41847944      -13.9234724    
 H    2.37407970       8.12322807      -13.5003891    
 H    2.44178772       6.96983290      -14.5287256    
 O   -3.28514409       11.2341318      -13.1673021    
 H   -4.05484009       11.4791012      -13.6733093    
 H   -3.22955751       10.2612352      -13.1926517    
 O    1.09740949       11.8682146      -9.37288570    
 H    2.06155825       11.8777294      -9.46708202    
 H   0.867485881       11.2028160      -8.71026897    
 O  -0.342785597       13.8199387      -10.5675831    
 H  -0.375132710       14.6175556      -10.0449877    
 H   0.180718675       13.1738405      -10.0598507    
 O   -1.42302310       8.18330383      -10.7975569    
 H   -1.88794112       8.69386196      -10.1206303    
 H  -0.713380098       8.77443504      -11.0953922    
 O    1.20182157       13.2553148      -12.9088879    
 H   0.607335150       12.6507444      -13.3753128    
 H   0.694980323       13.5811081      -12.1560278    
 O  -0.608901918       8.61052227      -14.8317842    
 H   0.214901969       8.17591667      -14.5851908    
 H  -0.482605040       9.55032825      -14.6452560    
 O    1.88950789       7.55080605      -9.05701637    
 H    1.56142509       7.18888426      -9.89561749    
 H    1.59102535       6.95263290      -8.36079693    
 O   0.533982337       10.0323400      -11.4657278    
 H    1.39807796       9.75330067      -11.7913857    
 H   0.688286543       10.6947384      -10.7802410    
 O   0.578481495       5.90002537      -7.20692635    
 H  -0.233589485       5.93868399      -7.74512815    
 H   0.695160925       4.98890209      -6.95158672    
 O   -3.15593958       8.04200363      -6.97876787    
 H   -2.96902585       8.77146721      -7.59583521    
 H   -4.05168390       8.16111183      -6.67478848    
 O    4.13367462       8.82508183      -9.93233204    
 H    4.91054869       8.37070084      -9.61613560    
 H    3.36683011       8.36854076      -9.54569912    
          69
 Energy    -248.06747208198666     
  O     10.71832732     12.42370455     -9.89034395
  H     10.97555052     12.29662475    -10.82015191
  H     15.82180536     13.12448426    -14.80861554
  O     13.75483275      8.68121073    -14.58325064
  H      9.95996816     13.00199670     -9.89084530
  H     16.33561135      9.94579178     -8.79383275
  O     10.68138958      9.50849594     -9.76585215
  H     14.56334671      9.10585192    -14.26255747
  H     15.93370610      8.92773100     -9.88351123
  O     13.16047861      6.73544649    -12.59893014
  H     13.60895614      7.91800887    -14.01044470
  H     14.01490325      7.68277318    -11.22747936
  O     13.72989783     10.62104722    -16.70615048
  H     11.38350049      9.31194429     -9.13332127
  H     14.17272346      9.20535970    -10.97427365
  O     10.85097275      8.00549505    -12.10741628
  H     10.56174751     10.46353598     -9.73599047
  H     15.02610281     14.81270164    -12.91026202
  O     13.10231347      9.20311841     -8.28531432
  H     13.03236984      5.79341152    -12.66680607
  H     13.55143695     14.44934751    -13.11000161
  O     14.01955455     10.84241876    -11.64597489
  H     12.28999245      7.12536310    -12.39051594
  H     17.60725499      9.94049984    -10.93258865
  O     13.14026295     12.03060841     -8.54241131
  H     13.77531461      9.83137623    -16.15235519
  H     18.91841429      9.80373171    -11.74149464
  O     17.44693139     12.99350857    -11.67497676
  H     14.36347860     11.24774714    -16.33113931
  H     12.14696841     12.98226921    -15.13692399
  O     11.55445042     11.89656736    -12.43027374
  H     10.73540474      8.61838315    -12.84323735
  H     13.61665645     13.00381919    -14.66810419
  O     15.28815856     12.37749771    -15.10703442
  H     10.72759295      8.51107359    -11.29103439
  H     14.59012515     13.75319592    -11.00260678
  O     16.67012840      9.46401543     -9.55792367
  H     13.83460411      9.38646543     -7.68949087
  H     14.32319839     12.92448241     -9.68956357
  O     14.32802561      8.32928620    -10.58576951
  H     13.49436331      8.77467412     -9.06267841
  H     15.19762114     10.43457413    -12.87439831
  O     14.18100648     14.75360357    -12.44565679
  H     13.13693551     11.13373814    -11.90127044
  H     16.69450820     10.09527482    -13.05001794
  O     18.05540386     10.20858058    -11.75520296
  H     14.43641626     11.58393541    -11.18664737
  H     12.15016393     11.34634608    -16.59371664
  O     12.73262577     13.34166331    -14.45979357
  H     12.29619815     12.34129120     -8.89420997
  H     10.81923843     11.89696728    -17.16331198
  O     14.96903309     13.11023742    -10.38125265
  H     13.06891854     11.06512305     -8.56217211
  H     15.71177528     11.15078506     -6.51185709
  O     15.86237030     10.16893673    -13.53061884
  H     16.67819098     13.02598474    -11.08820599
  H     14.70940614     11.42533567     -7.64604948
  O     11.29705426     11.75203758    -16.35139560
  H     17.73625221     12.07435579    -11.69676176
  H     17.34619952     15.10492803    -14.03615191
  O     15.37009530     10.79193641     -7.32799394
  H     11.29487390     11.12748989    -12.95612881
  H     17.04178560     13.93617892    -13.06709533
  O     16.69057925     14.44815121    -13.81887966
  H     11.95378715     12.51765440    -13.05514088
  H     12.07636309      9.46212349    -14.36311495
  O     11.19674970      9.84782603    -14.23783216
  H     15.57305840     11.61521159    -14.58234472
  H     11.04996495     10.43590726    -14.98844184
          69
 Energy    -248.06745857563163     
  O     15.59940744     11.51797697    -15.07858219
  H     16.28246656     11.04488734    -14.58927411
  H     18.60551934      5.47162862    -16.01712175
  O     13.17650687      6.17872326    -15.47930478
  H     15.82746969     11.41964600    -16.01029985
  H     18.53959994      8.43550072    -17.99192970
  O     18.45564810      7.39426071    -12.37879526
  H     13.52713746      6.29144659    -14.58431555
  H     17.73646194      8.62618859    -16.69777758
  O     18.59954673      6.80707488    -18.90075559
  H     12.79001500      7.02729919    -15.72103883
  H     15.72998868      8.01826369    -16.23153049
  O     15.92465584      6.37020403    -18.71763712
  H     19.25884678      7.22086885    -12.88637762
  H     16.60653952      6.89877642    -15.58027423
  O     14.29403649      6.53401940    -12.96193740
  H     18.04353360      8.16161347    -12.79752579
  H     14.11720733     10.72880735    -14.39576809
  O     17.28894697      9.59236372    -13.73417380
  H     18.90598428      6.52293987    -19.75734066
  H     13.82605857      9.81661450    -13.18817279
  O     16.93518921      5.08829484    -15.44694905
  H     17.64550785      6.61030920    -18.86552623
  H     14.95302856      5.03567913    -10.16153286
  O     13.19672906      5.31428977    -10.68489942
  H     15.42790472      7.16593066    -18.48294596
  H     16.18925977      5.92497111     -9.92096117
  O     19.71948955      9.74204980    -14.95559920
  H     15.51049232      5.65269501    -18.22413792
  H     12.69891928      9.29839550    -15.30386413
  O     14.66115321      4.49663623    -16.95686543
  H     15.11827857      6.03017155    -12.92101514
  H     11.45927624      9.16221767    -16.22001942
  O     19.43768459      5.87040752    -16.31096038
  H     14.51151123      7.43047634    -12.67565478
  H     21.46555324      6.78195991    -14.09319183
  O     18.29510024      9.09832195    -17.33463058
  H     18.17504704      9.81091921    -14.06172131
  H     20.19948782      6.65084922    -14.97180764
  O     16.46435921      7.85209988    -15.62719300
  H     16.89975486      8.97366436    -14.37686363
  H     17.39017225      5.89081808    -12.63216891
  O     13.44824795     10.14182422    -14.01118014
  H     16.82478093      4.93074256    -14.49852957
  H     16.49832474      4.92412904    -11.81318134
  O     15.91999267      5.01927250    -10.11324339
  H     16.17005619      4.73489245    -15.91673193
  H     17.39608160      8.15414252     -9.33708489
  O     12.34419211      8.83516554    -16.08504003
  H     12.36587743      4.87521815    -10.84943479
  H     17.57198700      7.60441055    -10.76782892
  O     20.57504197      7.10671948    -14.19661366
  H     13.43380385      5.75445412    -11.51561673
  H     16.51019689     11.58992361    -18.46860354
  O     16.74469449      5.17616671    -12.71569012
  H     19.41251802      9.61969438    -15.86365423
  H     17.08670380     10.37022686    -17.71151237
  O     16.92029788      7.76139367    -10.06591522
  H     20.14202841      8.90999993    -14.70749431
  H     15.88785187      9.35397272    -12.53371801
  O     16.30143160     10.93510797    -17.80705830
  H     14.16065080      3.70839958    -17.14762501
  H     15.59920190      8.65894032    -11.18980043
  O     15.17230874      9.01057981    -11.98021477
  H     14.07270190      5.09038880    -16.45434196
  H     15.06704327      9.49497490    -17.76545170
  O     14.65651013      8.63074673    -17.63772622
  H     19.28185014      6.15256254    -17.21846250
  H     13.80861540      8.76309757    -17.19405086
          69
 Energy    -248.06736960978441     
  O     -6.41704903      0.31797607      0.25561729
  H     -5.90578347      1.08017565     -0.06350204
  H      0.97575798      4.40206068      2.40325252
  O     -5.62899869      1.55399541     -4.28282174
  H     -6.45566929      0.42553621      1.21296067
  H     -4.01350942      2.20813936     -0.01160508
  O     -5.95582210      0.81589298      3.00869470
  H     -4.95551548      0.85446682     -4.37765953
  H     -4.55882684      2.57952349     -1.40561333
  O      0.14598910     -0.73882511      1.17590903
  H     -6.06847622      1.62897624     -5.12610168
  H      1.43905591      2.55037610     -2.63358872
  O     -2.05039644     -0.42210270     -0.55541101
  H     -5.44873734      1.64670547      3.05146960
  H      0.99048672      2.02865713     -1.24691800
  O     -3.69227497     -0.33530639     -4.30666314
  H     -6.55280191      0.82545455      3.75230976
  H     -1.44837843      4.63681877     -0.78157323
  O     -4.47597363     -1.68453531     -0.03679448
  H     -0.56120516     -0.81082098      0.52070641
  H     -0.26864094      3.64088324     -1.04488262
  O     -1.72224560      1.08058791     -2.81974705
  H     -0.29578130     -0.68679098      2.03135978
  H     -5.39545361     -3.12836795     -3.11014956
  O     -3.68240825      3.06482750     -2.96572351
  H     -2.86343587     -0.91787183     -0.39918009
  H     -5.75297705     -1.68869004     -2.66520194
  O      1.42271874      1.54246921      0.34097631
  H     -2.13621941      0.41104358     -0.06446818
  H     -1.51329413      1.39653026      3.52749753
  O     -1.36136483     -0.43938469      3.60950038
  H     -3.96977962     -1.08759402     -3.76955083
  H     -0.91808436      2.76431364      3.05703742
  O      0.45073318      3.66715479      2.09469040
  H     -2.90765178      0.04230959     -3.88883496
  H     -4.54636675     -0.43193732      2.82978022
  O     -4.83278242      2.36236438     -0.50783147
  H     -4.61139439     -2.08270964     -0.90514175
  H     -3.98548067     -1.41777346      1.78230534
  O      0.67145809      2.41585371     -2.08436367
  H     -5.17046825     -1.01657557      0.06230772
  H     -2.26384780      2.06620163      1.59575929
  O     -0.75857627      4.11093489     -0.35635825
  H     -1.83568115      0.48095636     -2.06566599
  H     -1.82142247      2.71333315      0.25920774
  O     -5.02722534     -2.33710718     -2.72537371
  H     -0.86148646      1.49788950     -2.70081582
  H     -4.90015491      3.99047845      0.42800878
  O     -1.72856530      2.32014852      3.33639949
  H     -4.39236671      2.69228758     -3.50479983
  H     -3.99354653      5.19028865      0.24696436
  O     -3.80913344     -1.02753031      2.64683112
  H     -2.97490523      2.40317637     -2.93582367
  H     -6.58172519      0.40601284     -2.96014777
  O     -2.36628840      2.01310295      0.63784881
  H      1.23982968      2.17717711      1.04047432
  H     -6.89687115     -0.09491405     -1.52331880
  O     -4.57774955      4.77839717      0.88877870
  H      1.05699950      0.69598090      0.64105072
  H     -3.52219032      2.91315101      3.35662680
  O     -6.87299774     -0.35998311     -2.45281870
  H     -1.18297146     -1.00080144      4.35939982
  H     -4.46909710      3.76385684      2.46999703
  O     -4.45008092      3.06610120      3.13855772
  H     -2.24193099     -0.69115241      3.27494132
  H     -3.09326963      6.12848651     -2.09028716
  O     -2.92606004      5.33906900     -1.58102763
  H      0.03595780      3.95179503      1.26302294
  H     -3.23154794      4.59197619     -2.12258038
          69
 Energy    -248.06720012898720     
  O     13.80919492      9.13586317     -9.52187393
  H     13.33215036      9.08089518     -8.69858108
  H     13.76861284      6.03143303    -16.48811757
  O     17.03508600      4.57916856    -12.82910589
  H     14.41301304      8.37061947     -9.55329928
  H     17.71152349      7.20923512    -15.67093041
  O     14.48165482     12.48442073    -12.36727876
  H     17.79312774      5.16891194    -12.75268622
  H     17.95838075      5.70086881    -15.65285840
  O     16.70900143     11.25311164    -13.63985424
  H     16.93758373      4.38825360    -13.77057733
  H     15.32801662      9.69512212    -15.91750322
  O     11.04602753      7.08052786    -15.14926881
  H     13.75107383     12.06394721    -12.83619692
  H     15.60122664     11.08102955    -15.31767301
  O     17.77984745      8.05785279    -11.12074331
  H     15.27369169     12.22492751    -12.85773726
  H     14.99003557      8.63205018    -12.71165764
  O     13.10530430      6.21812760    -13.37096723
  H     16.35887876     10.36271519    -13.48050048
  H     16.49219531      8.37405366    -12.37304219
  O     12.82345811     10.80655004    -13.95824760
  H     17.39520693     11.34631677    -12.97146034
  H     15.22195840      6.31567881    -10.36861590
  O     12.75569704      9.53263131    -17.33503277
  H     11.62167592      6.69225669    -14.47856579
  H     16.36121580      7.34835686    -10.16710812
  O     16.67208686      4.25349158    -15.62925819
  H     11.45231402      6.87329861    -15.99995642
  H     18.98856454      6.57038996    -13.84787049
  O     16.02132027      8.04228057    -15.70769340
  H     18.05142190      8.98577878    -11.09755813
  H     20.14386556      6.19882439    -12.89118117
  O     14.38463531      5.75177379    -15.79865634
  H     18.38664917      7.56986491    -11.69298290
  H     14.53642738      4.03545566    -11.03267049
  O     18.39277379      6.54741844    -15.49166315
  H     13.09254633      7.10542536    -12.98057820
  H     15.55746882      4.74065530    -11.95514954
  O     14.95053302     10.58418183    -15.82639573
  H     13.56736557      5.66236719    -12.73149554
  H     17.25432076     10.99904806    -10.73069191
  O     15.88462665      8.63773794    -13.07375552
  H     13.53161360     10.72993279    -14.61312888
  H     18.73863220     11.41849710    -10.63614927
  O     15.49996104      7.06558625     -9.83024268
  H     12.00350783     10.55968551    -14.40373669
  H     12.25743427      6.62934524    -18.46875955
  O     19.22877131      6.46732851    -12.90998434
  H     13.51140684     10.00983682    -16.97176172
  H     12.68643918      7.80414180    -17.55908331
  O     14.70913463      4.85481836    -11.49002096
  H     12.00409638      9.74487127    -16.76692876
  H     15.15616793     11.74716947    -10.85109372
  O     18.14015150     10.85000055    -11.11322529
  H     16.61909844      3.47874491    -16.18272853
  H     15.02892628     10.55728199     -9.87496904
  O     12.55647138      6.83901328    -17.58818637
  H     15.83170481      4.73164828    -15.73424425
  H      9.73211487      9.96799529    -15.45384393
  O     15.63741643     11.23731905    -10.18204372
  H     16.01303523      8.20377066    -14.74896690
  H     10.73328352      8.80784347    -15.23289282
  O     10.66163470      9.76574639    -15.39271192
  H     15.45053841      7.27804086    -15.84972593
  H     13.03578596      9.49696817    -12.74040923
  O     13.24194376      8.70479720    -12.22476747
  H     13.95228990      5.89980072    -14.94450708
  H     13.30546763      8.94136718    -11.29117823
          69
 Energy    -248.06680017306695     
  O     14.65680043      9.23923637    -16.76498490
  H     13.99997693      8.77992541    -16.22928921
  H     21.22544185      3.64299051    -15.92320946
  O     13.61206573      3.12562906    -15.76364244
  H     14.87131816      8.65100712    -17.49556678
  H     17.91607876      8.28038311    -16.29944680
  O     18.34345803      6.04902258    -11.98055567
  H     14.43246476      2.89388549    -16.23842964
  H     17.66477324      6.75182118    -16.20694906
  O     19.33230829      5.22885670    -17.94250850
  H     12.98288680      2.43207616    -15.94164791
  H     15.70225870      5.58564161    -15.76925699
  O     16.82775169      4.48072360    -19.14925233
  H     18.96440552      6.22372083    -12.70273718
  H     16.96361968      4.80163412    -15.26792180
  O     14.04929950      6.50722486     -9.99768395
  H     17.92667846      5.19934178    -12.18190224
  H     13.10749361      7.45431385    -14.23863410
  O     14.33153536      4.08848581    -13.17997031
  H     18.56646921      4.87664715    -18.40975826
  H     11.89815230      8.03985466    -15.00486926
  O     16.46678964      7.56604743    -13.34710693
  H     19.06870406      6.10565031    -17.62837752
  H     15.47755533      3.17200187     -9.91671048
  O     17.80342368      3.17027820    -15.05745246
  H     16.45142454      5.36288628    -19.00006183
  H     16.50525864      2.34576015     -9.10382659
  O     13.86730619      3.67584405    -10.42887826
  H     16.74455412      4.30567058    -20.08418712
  H     13.75329708      4.84858775    -16.40829638
  O     15.93284401      2.71541700    -17.04798887
  H     15.00797619      6.36915000     -9.88712181
  H     13.52288718      6.36835438    -16.12672466
  O     20.37033336      4.03066597    -15.75870179
  H     13.76482404      7.04564287     -9.26398859
  H     19.47136492      6.98242089    -15.01390096
  O     18.17129041      7.42847708    -16.68531708
  H     14.15234493      5.03799737    -13.15466851
  H     20.11222886      5.61914309    -14.72990410
  O     16.56254999      5.67568314    -15.34242049
  H     14.03871618      3.74686915    -14.03239922
  H     16.93719443      3.27227343    -11.54724098
  O     12.77743480      7.68886769    -15.12229466
  H     16.48984391      6.93035613    -14.07960631
  H     16.08670910      3.78412390    -12.73396190
  O     16.42851380      3.04265353     -9.74936931
  H     17.12513150      7.23547238    -12.72321619
  H     17.35620158      6.09900345    -10.38200183
  O     14.07139892      5.73692890    -16.61137151
  H     17.65089266      3.17422268    -14.10202926
  H     16.71009560      4.95369136     -9.58328402
  O     19.81884571      6.43485087    -14.30465851
  H     18.73444295      3.36894050    -15.21981210
  H     16.58955438      7.23928558    -17.86049049
  O     16.99409711      3.58836819    -12.45690306
  H     13.77174682      4.60417674    -10.18116498
  H     15.18758440      6.54585965    -17.79594617
  O     16.68272794      5.90935571     -9.71548218
  H     13.89710577      3.67245663    -11.39548843
  H     14.80861893      7.20282569    -12.93801496
  O     15.82801916      6.96823561    -18.39016580
  H     16.22899061      3.25945694    -17.78669491
  H     13.81892339      6.80265505    -11.81505966
  O     13.91258856      6.86632310    -12.77333338
  H     16.64456484      2.72820576    -16.39170467
  H     16.22165327      9.58783072    -15.81593074
  O     17.06697936      9.52226176    -15.34866504
  H     20.06617247      4.41753126    -16.60040887
  H     16.87764684      9.04364151    -14.53184905
          69
 Energy    -248.06676865092726     
  O     15.13633721     11.83849098    -16.28264542
  H     14.66991383     12.66534590    -16.37112337
  H     19.11569632      8.71474905    -16.91446462
  O     13.96363584      5.07764678    -15.99382544
  H     14.52966549     11.21868848    -15.83912991
  H     16.51943388      8.45122361    -14.47024311
  O     18.32927308      7.78730623    -11.81265176
  H     13.37208157      4.35244378    -16.17538108
  H     15.74894655      7.96747103    -15.74595861
  O     19.33458687      6.99394260    -17.58904612
  H     14.83061883      4.84063211    -16.37030305
  H     13.50816855      9.65858682    -14.22220376
  O     17.15163897      6.17472323    -19.28694565
  H     17.68752198      8.44496003    -12.12609781
  H     13.59933567      9.22739396    -15.70050376
  O     14.13503471      8.13617969     -9.88777362
  H     19.06782849      7.83892686    -12.43284151
  H     16.19258786      3.63288052     -9.63616356
  O     14.50033181      6.07623115    -13.38775380
  H     18.66642035      6.74205491    -18.23786349
  H     15.28116384      4.67726693    -10.32662658
  O     16.53459615      9.46227843    -12.95201636
  H     19.17789650      6.41847191    -16.83160149
  H     14.46079366      7.86843225    -17.60878533
  O     18.21475334      5.76949035    -15.17482038
  H     17.31049493      5.90178766    -20.18798341
  H     13.97639186      6.84611725    -16.53081735
  O     13.74327991      5.42131334    -10.75539627
  H     16.50354030      6.89532799    -19.32154256
  H     19.58118605      7.05158565    -14.44928355
  O     16.40914587      4.61592187    -17.02357218
  H     13.87214507      8.58617964     -9.08933044
  H     19.78186472      8.53989782    -14.72594161
  O     18.70226362      9.41287858    -16.38610431
  H     15.06704393      7.87904705     -9.76825274
  H     17.56583378      6.22969101    -12.33887767
  O     16.60907574      7.98531527    -15.31256276
  H     14.28157484      5.69222769    -14.24385024
  H     16.91961406      4.91166225    -11.84798822
  O     13.52752973     10.00091682    -15.12431472
  H     15.42999070      5.87608384    -13.20965303
  H     17.37044305      7.47453912    -10.23331036
  O     16.20778909      4.41520096    -10.18021207
  H     15.58106516      9.42112856    -12.81316854
  H     16.63414311      6.24745203     -9.66239690
  O     14.15793431      7.78011068    -16.69726883
  H     16.77639587     10.26339221    -13.43951196
  H     16.08731004     10.87196981    -17.55669444
  O     19.96174701      7.85494373    -14.07514182
  H     17.64924986      6.55345268    -15.28715645
  H     17.42099408     10.09503679    -17.65410654
  O     17.14709823      5.40952611    -12.64234144
  H     17.96911632      5.40998646    -14.31136524
  H     13.85413128      8.63244504    -11.67308422
  O     16.68197569      7.20935825     -9.60883460
  H     13.70827034      6.30622150    -10.37135453
  H     14.04796160      7.81157270    -12.96441357
  O     16.60432795     10.28948925    -18.12873806
  H     13.84623371      5.56053374    -11.70711411
  H     18.04709955     10.94695273    -15.24388793
  O     13.87904341      8.70720691    -12.63557697
  H     16.65183936      5.05894235    -17.84566145
  H     16.67790086     11.65959794    -15.22179638
  O     17.42485003     11.40220538    -14.66541343
  H     17.09440524      4.84949398    -16.38449293
  H     14.76340176      8.58600262    -19.97232325
  O     15.30142624      8.24869939    -19.26079995
  H     17.92004098      8.98678455    -15.99785813
  H     15.79124196      9.00834066    -18.89233162
          69
 Energy    -248.06653746486404     
  O     14.86757252      9.15411021    -16.40999151
  H     14.30073432      8.38854088    -16.55655208
  H     20.50531137      6.18621682    -13.78780305
  O     16.32648009      2.89855667    -17.44369222
  H     14.84024890      9.34360434    -15.46366047
  H     18.08086472      7.48040204    -15.41896432
  O     15.92498614      5.29210615    -11.52649452
  H     16.09490868      3.80471677    -17.69779220
  H     18.22804419      8.86018851    -16.11769161
  O     20.99961162      7.08034977    -15.39355496
  H     17.28882927      2.87384841    -17.40255465
  H     16.64042671      5.82339889    -16.18622713
  O     19.76818383      5.78509591    -17.70894724
  H     16.74290515      5.73531749    -11.27031006
  H     16.36932680      6.28122975    -14.72037092
  O     13.18071149      4.22897315    -12.09277998
  H     15.57146713      5.83138061    -12.25134487
  H     13.09575317      6.18235827    -16.16054873
  O     14.89042095      2.94699406    -15.14123978
  H     20.19402877      7.62681062    -15.39942514
  H     12.46041492      6.83975734    -17.40269919
  O     15.00816069      6.72600475    -13.65437320
  H     21.73302102      7.67088157    -15.54745046
  H     14.14012509      1.91811755    -13.82396368
  O     18.51231540      3.84347094    -14.44332269
  H     20.26583961      6.11706721    -16.95429433
  H     13.60015614      0.71077427    -13.02625550
  O     17.49909516      9.00776901    -12.90061849
  H     19.60420696      4.85027602    -17.53552875
  H     14.88093801      6.03764085    -17.61743370
  O     19.17387592      3.06546417    -16.97687529
  H     13.97295334      4.57345692    -11.66645095
  H     16.31651155      6.15175599    -18.25415507
  O     20.05831159      5.72398390    -13.06916291
  H     13.34403519      3.28575817    -12.22275064
  H     18.82153587      6.96064113    -10.45839249
  O     18.57370697      8.31588731    -15.39937346
  H     15.56495997      3.10520471    -14.46876391
  H     18.97417708      6.40947051    -11.89200668
  O     17.06103549      5.99771850    -15.33355556
  H     15.35554743      2.83238470    -15.98308702
  H     15.81394487      2.29002503    -12.58859660
  O     13.26376388      6.80293531    -16.88780575
  H     14.25809010      6.26240586    -14.04704832
  H     16.33569982      3.71949329    -12.28420119
  O     13.96486823      1.58633882    -12.92681587
  H     14.82434830      7.67191091    -13.61940107
  H     17.59805081      8.02973903    -18.48408131
  O     15.71699153      5.58035574    -17.74623473
  H     18.02198051      4.61863884    -14.76441465
  H     18.42200366      6.71258280    -18.51428248
  O     18.33580859      6.78838884    -11.26144219
  H     17.93343106      3.38241936    -13.82227117
  H     13.69768490      4.32656472    -15.04320611
  O     16.51976962      2.91272063    -12.78992151
  H     17.96786172      8.84466504    -13.73072389
  H     12.89939678      4.83213831    -13.83043098
  O     17.61895700      7.13954507    -18.85099215
  H     17.75269320      8.29589170    -12.30183452
  H     15.86831890      9.40227805    -13.30551506
  O     13.10476393      5.03728281    -14.75436915
  H     19.80253505      2.34844037    -17.00832020
  H     14.54194304     10.15423204    -13.02343635
  O     14.94076067      9.50125029    -13.59142453
  H     19.01038681      3.25397879    -16.03681643
  H     16.40100045      9.49306492    -17.14928377
  O     17.30157152      9.65279379    -17.48548474
  H     19.62900454      4.96322709    -13.48319302
  H     17.28926696     10.50532099    -17.91158050
          69
 Energy    -248.06644594642117     
  O     11.76019931      9.34854877    -16.19564152
  H     12.07724234     10.25631751    -16.26977817
  H     15.51290550      5.37275066    -14.27637480
  O     15.85216173      7.70065333    -12.28995151
  H     11.31260624      9.26979766    -15.34436907
  H     18.90403358      8.46831822    -14.23007281
  O     15.89770699     12.13057589    -12.05084095
  H     15.05320477      7.79734808    -11.75616159
  H     18.59555570      9.49366961    -13.10734981
  O     17.21765071     10.41031517    -15.80739003
  H     16.47144959      8.39118625    -12.01730582
  H     15.98369432     10.94430508    -17.09276725
  O     13.68018726      5.34158581    -14.84729760
  H     16.34631886     12.94191566    -12.27836589
  H     15.19116647     10.08930765    -18.10083121
  O     13.92477455     11.51608038    -10.05766724
  H     15.28167114     11.94108781    -12.77800269
  H     14.65971742      8.43262554    -15.26172906
  O     13.50132648      8.11849072    -10.88785919
  H     16.48328630      9.91350535    -15.41470131
  H     15.38193890      8.45800221    -13.87065159
  O     14.05686693     11.38489723    -13.95031181
  H     17.96555945     10.24601331    -15.21541151
  H     11.06399845      8.03743770    -13.42482087
  O     17.67655561      8.07607856    -17.31573353
  H     13.31106472      4.57346445    -15.27670329
  H      9.63976141      8.62768224    -13.55998926
  O     14.41318880      9.37489430     -8.48770332
  H     13.67384061      6.05895731    -15.50509179
  H     17.59742001      8.61087631     -8.31400544
  O     18.60870592      6.68969299    -15.02075117
  H     14.64696919     11.81764008    -10.62212638
  H     16.25281435      9.24879777     -8.69742547
  O     16.39040236      5.56807039    -13.93061983
  H     13.21621812     11.24883720    -10.65896427
  H     12.65514185      6.21126203    -13.49132037
  O     18.99916376      9.39539750    -13.97927503
  H     13.77009901      8.37666606     -9.99909976
  H     12.59466662      6.99673969    -12.15078998
  O     15.20677969     10.95134360    -17.66968134
  H     13.10181148      8.90440146    -11.28958269
  H     16.98655282     10.62415164    -11.74148334
  O     15.12514447      8.99435957    -14.63123290
  H     13.66279449     11.73877983    -14.75598890
  H     17.50512435      9.66273306    -10.63374914
  O     10.56428911      8.84477134    -13.64675541
  H     14.41862562     10.51439256    -14.18449107
  H     15.45234509      7.98846798    -19.55976837
  O     17.19867907      9.24582329     -8.90485832
  H     17.64787976      8.95178265    -16.90664987
  H     16.21621821      8.09739647    -18.21711220
  O     12.07466381      6.72429993    -12.91715859
  H     18.01263414      7.49299956    -16.62500833
  H     12.87388257     10.77544010    -12.73473433
  O     17.49006546      9.81470250    -11.58975405
  H     13.92931605      9.44940714     -7.66931457
  H     11.58586574      9.94638350    -12.54076737
  O     15.34899383      8.23019142    -18.64366310
  H     14.24905176     10.19726041     -8.98592181
  H     13.78567864     11.60772747    -16.94636373
  O     12.30179242     10.38013348    -12.06074340
  H     17.82076764      6.24519341    -14.66288119
  H     12.66230122     12.67241077    -16.96267566
  O     12.99900946     11.93038489    -16.46841737
  H     19.32273673      6.05949506    -14.96533097
  H     14.21697448      7.67515033    -17.31408173
  O     13.70298958      7.48051752    -16.52069002
  H     16.24886037      6.22729845    -13.23430387
  H     12.96009761      8.10373975    -16.47818246
          69
 Energy    -248.06635603958472     
  O     -3.97105077     -2.67673900      0.56076608
  H     -4.54951662     -2.61004618     -0.19521207
  H     -0.69490788     -6.34297711      1.45402037
  O     -0.56230187      2.44400460      5.55393927
  H     -3.06109999     -2.68209463      0.21439872
  H     -0.91750428     -3.21011163      1.55881945
  O     -1.63959263      0.84611292      2.26010172
  H     -0.00185951      1.82081668      5.07142036
  H     -0.30409268     -4.25435013      2.54408658
  O      0.93383318     -3.84587412      5.63234871
  H     -1.04320567      1.90836986      6.19708656
  H     -4.46931661     -5.63210218      4.77685327
  O     -2.20529932      0.59373256      7.01839337
  H     -1.92823897      1.69679495      2.61187831
  H     -3.57116561     -5.38321920      3.53975098
  O     -0.61753807     -1.47554881      5.94149852
  H     -2.36280071      0.22185518      2.41080500
  H      3.46784016     -5.13894659      4.22437693
  O     -1.06781310     -5.98482567      5.52417293
  H      0.53292612     -2.98904733      5.82353341
  H      2.11351067     -4.42979801      4.44130446
  O     -3.92214297      0.96176429      4.92509391
  H      0.22379274     -4.49423590      5.70453003
  H     -3.92745942     -1.46074412      2.02534756
  O     -0.14191885     -0.32890206      0.19942400
  H     -2.66907647      0.72858561      7.84050880
  H     -3.30894885     -1.59240590      3.43050399
  O      0.22637285     -6.03943570      3.01744663
  H     -2.86628550      0.67616674      6.30774619
  H      2.67357472     -4.28934839      1.94572916
  O     -3.51971508     -5.21969416      1.85432334
  H     -1.30215062     -1.95501350      5.45009358
  H      2.34431536     -2.92636583      1.35035413
  O     -1.22018456     -6.20621932      0.65255148
  H     -1.08439357     -0.80524292      6.45551886
  H      0.16473041     -0.35207890      4.69630948
  O     -0.59203210     -3.33751555      2.45931750
  H     -1.97464267     -5.81667737      5.22282411
  H     -0.24003933      0.44563106      3.42220526
  O     -3.58374469     -5.39543843      4.51614599
  H     -1.12260220     -6.66558045      6.19117048
  H      1.41397281     -0.81176438      2.84507470
  O      2.65509135     -4.90340357      3.78475927
  H     -4.02513139      0.31573585      4.21555105
  H      0.82214427     -2.14306768      2.35257158
  O     -3.70869614     -0.95689273      2.81782930
  H     -3.58215258      1.76227040      4.50464552
  H      1.12864513     -4.75456107     -1.59880966
  O      2.50783949     -3.84858100      1.10491585
  H      0.58657371     -0.64825898      0.74862922
  H      1.34319955     -4.34218089     -0.12704281
  O      0.48392851      0.29055918      4.04695290
  H     -0.68452105      0.20858026      0.79243519
  H     -1.75752124      2.99114782      4.38896673
  O      1.52082055     -1.49541464      2.17247073
  H      1.14200381     -5.80217511      3.21431920
  H     -2.54353346      4.05172152      3.57960537
  O      0.66393005     -4.56254392     -0.78845312
  H     -0.21657144     -6.14029879      3.86916577
  H     -1.77013008     -3.01066686      3.69732191
  O     -2.46299178      3.11393159      3.72822390
  H     -3.75500663     -4.39356266      1.41930504
  H     -2.92260917     -3.63726414      4.53224324
  O     -2.43268455     -2.82212059      4.38358430
  H     -2.77372575     -5.59486072      1.36296020
  H     -0.95361157     -1.83511430     -0.15770175
  O     -1.36101737     -2.71629251     -0.18805146
  H     -0.62786416     -5.74978036      0.04486343
  H     -0.70935983     -3.33156880     -0.54503338
          69
 Energy    -248.06625647418826     
  O     12.65066301     12.15962332    -16.42471076
  H     13.27904474     12.00862747    -17.14200259
  H     15.65836669     11.15222940    -16.96876701
  O     18.08246909     12.36061629    -14.57611265
  H     13.18085827     12.30183043    -15.63042726
  H     15.02383665      7.57638034    -12.88000972
  O     14.51086352      4.76827752    -14.98834058
  H     17.51816700     11.98400106    -15.26303599
  H     15.64355274      8.44883818    -14.01232868
  O     15.05577769      8.64553841     -9.69758699
  H     18.62674363     11.62756025    -14.24962747
  H     11.47453624     10.86871798    -16.53398764
  O     14.46266612      5.87423042    -12.47371174
  H     14.19695122      4.01164472    -15.47698841
  H     10.04663768     10.39441120    -16.89695754
  O     13.13053914     10.11864349    -12.77238693
  H     14.28478903      5.54515113    -15.52426115
  H     17.90654835      8.23307194    -11.36955824
  O     13.03209231      8.96993246    -18.24473942
  H     15.70824519      9.20524377    -10.13324673
  H     17.49547127      6.77486273    -11.13045287
  O     16.00742898      6.00985499    -10.26114594
  H     15.38626045      7.74130328     -9.77498342
  H     11.78909291      7.32089520    -13.08644365
  O     16.37992515      8.36158352    -15.62448708
  H     14.53152402      5.39514084    -13.31074353
  H     11.98362150      7.57216177    -11.56953526
  O     13.94486705      7.18037821    -16.24016997
  H     13.53390510      6.12558532    -12.35218021
  H     17.12974186     12.62898001    -13.15808724
  O     19.19939318     10.14761675    -13.37349214
  H     12.77329121      9.90930134    -11.90165982
  H     16.72015578     13.45247529    -11.91269644
  O     16.09584745     11.05755931    -16.11318352
  H     13.90712190      9.54550944    -12.88807184
  H     18.48761019      7.32108472    -13.34506878
  O     15.26701839      8.47859083    -13.12338494
  H     12.21603135      9.26376783    -17.82087858
  H     19.34647673      6.82293854    -14.52948325
  O     10.91485071     10.08098826    -16.65892157
  H     13.36899959      8.25060695    -17.69529611
  H     16.36020197      9.44345451    -12.09978674
  O     18.12786419      7.32556784    -11.60820127
  H     15.44283505      5.86280125    -11.04099072
  H     16.74939171     10.89483632    -11.69361679
  O     11.94449999      6.87992122    -12.24077525
  H     15.97336685      5.21270586     -9.73918891
  H     14.65408600     11.48709787    -19.31734448
  O     16.52991529     12.64854387    -12.38906692
  H     16.42158205      9.30634965    -15.83362310
  H     14.02793787     10.39293107    -18.41827452
  O     18.69122830      7.47169438    -14.28502524
  H     17.23725438      8.06746152    -15.29132835
  H     13.34825935      8.86961510    -10.04416165
  O     16.92368817      9.96425949    -11.50339991
  H     14.81185302      7.58581192    -16.08884074
  H     11.93119404      9.21656443     -9.53129756
  O     14.51169343     11.23846696    -18.40829127
  H     13.30790525      7.59150575    -15.63752045
  H     15.03174328     12.44317100    -13.54563823
  O     12.42285286      8.99820581    -10.31834758
  H     19.17923288      9.27185185    -13.77614985
  H     13.83683996     11.47654260    -13.66282024
  O     14.36573320     12.11705062    -14.16191230
  H     18.55339982     10.11158596    -12.65905702
  H     11.48368495      8.92329700    -15.32060176
  O     11.97278641      8.43016314    -14.65013899
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  H     12.32052537      9.08995707    -14.03334927
          69
 Energy    -248.06609685985683     
  O     12.71358063     11.51936953    -14.57045584
  H     12.52245885     12.45010573    -14.66308547
  H     15.05498739      6.60114078    -16.56455423
  O     13.81226546      5.97610474    -12.13356222
  H     13.05904036     11.39541455    -13.67110285
  H     15.71781507      7.32925446    -10.06360838
  O     18.08308624      4.90571832    -11.43200913
  H     12.88132644      5.74751505    -12.24667479
  H     15.25002028      6.27691656    -11.09763452
  O     12.17745337      3.23060062    -14.15110914
  H     13.90286761      6.86763305    -12.50599375
  H     14.74205175      8.53921809    -13.91286499
  O     10.59997102      9.56684697    -14.13319665
  H     18.69077961      5.51870086    -11.86154417
  H     13.77771984      9.21286869    -12.90063201
  O     13.66929986      7.55942670    -17.41948404
  H     17.39611987      5.45021765    -11.02192045
  H     13.76357348     10.52525810    -15.83611170
  O     15.02099492      8.84221667     -9.36702810
  H     13.09353576      3.52704471    -14.26266715
  H     15.11039557      9.76476854    -15.91491044
  O     19.52183113      6.76954917    -13.12304228
  H     12.03389585      2.56270591    -14.81702849
  H     10.61906542      8.68296999    -12.52159640
  O     12.02875800      7.34965286    -15.10819094
  H     10.92793797      8.80903152    -14.63673140
  H     10.79078164      7.22117487    -12.04605037
  O     17.21503388      3.25594014    -13.39295504
  H     11.21273202     10.28388866    -14.32888871
  H     14.47732354      4.91220772    -13.42587837
  O     18.25549144      5.34527801    -15.05511645
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  H     15.55746419      3.89428957    -13.89742717
  O     15.73689456      6.26762019    -15.96895175
  H     13.46123423      7.59547517    -18.34916110
  H     11.35034968      4.70400977    -13.36500380
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  H     15.48119048      9.55589688     -9.82306090
  H     11.39130546      6.16496946    -13.84168558
  O     13.95170925      8.39439889    -13.37711056
  H     14.08079902      8.98866449     -9.53150839
  H     11.77534156      8.97326059    -10.61995492
  O     14.32068921      9.99889052    -16.42170126
  H     20.45527208      6.82145067    -13.30882524
  H     11.75207261      9.84087826     -9.34303630
  O     10.79197187      8.13514749    -11.74159495
  H     19.11146781      6.30000240    -13.87192847
  H     16.21751859      7.86831555    -15.23102628
  O     14.75957274      4.36348404    -14.17320298
  H     12.67739747      7.75336494    -14.51034083
  H     16.77661847      8.66306199    -14.00970639
  O     11.20676193      5.61240102    -13.06686104
  H     12.45646453      7.30245314    -15.96942823
  H     14.60982895     10.91446501    -11.78552086
  O     12.32218365      9.54112996    -10.04638872
  H     17.49665232      2.35980765    -13.23078781
  H     13.16446378     10.53737349    -11.33332307
  O     16.28020707      8.74986299    -14.83343291
  H     17.50792310      3.78548889    -12.62926536
  H     16.80419156      9.93587084    -11.60948765
  O     13.68745254     10.88032420    -12.07168383
  H     17.96580760      4.54169959    -14.60465793
  H     17.02299883     11.31865526    -10.95708654
  O     16.34928426     10.68328895    -11.18688314
  H     17.48127941      5.67268667    -15.52990465
  H     18.25478235      7.95710824    -12.55376779
  O     17.44002225      8.41244541    -12.30505347
  H     15.31914228      5.60659217    -15.39792572
  H     16.92226369      7.78534369    -11.77812552
          69
 Energy    -248.06608119846106     
  O     -0.38557774      3.68679666      2.99341368
  H      0.35005076      3.11588360      3.24513451
  H     -2.00604136      7.90439334      0.66801353
  O     -3.06589694      4.94412801     -0.01474713
  H     -1.03554348      3.16074298      2.50647052
  H      2.67977255      2.60605735      0.50069935
  O      3.19811769      7.37697339     -0.30317699
  H     -2.35167901      5.27415487     -0.57497824
  H      1.45557537      1.67894260      0.32800839
  O      1.06882735      7.89555920      1.32701928
  H     -3.16626293      5.58763867      0.69962731
  H     -0.40923024      4.39602776     -2.29096688
  O     -0.81975908      5.95246428     -1.40772412
  H      2.75189565      7.34741714     -1.16337064
  H     -0.08985488      2.93347108     -1.82887997
  O      3.08355112      4.43081508      0.04802227
  H      3.45424351      6.46696596     -0.12676773
  H     -1.71929500     -0.93360353     -2.46211439
  O      0.54813506      5.19719958      0.80133145
  H      1.33723547      7.78945062      2.24726890
  H     -2.02178575      0.58311939     -2.55906257
  O     -3.01477874      6.89425538      1.99235206
  H      1.86995959      7.85268029      0.78118995
  H      2.79591777      3.96176777      3.26066859
  O     -0.18836188      1.68343049     -0.51885790
  H     -0.29781251      5.59144782     -0.67012326
  H      3.33934447      4.72583019      2.04384735
  O     -1.02292646      6.26392135      3.72677804
  H     -1.08705608      6.83880315     -1.11581363
  H     -4.03051182      3.88095236     -1.12367830
  O     -2.16657411      2.58615175      1.22723245
  H      3.08148591      4.30797249     -0.91016287
  H     -5.26247831      3.58170068     -2.00345111
  O     -1.37975005      8.19859556     -0.00371127
  H      2.17835990      4.69074234      0.28903958
  H     -3.09501153      2.53098657     -2.92553341
  O      2.27310017      1.79586191      0.83054635
  H      0.24862654      4.70047752      1.57182196
  H     -1.60096722      2.64759109     -3.31035303
  O     -0.06343255      3.54171090     -2.58396222
  H      0.66665291      6.12166439      1.06595817
  H      2.26224490      1.51988043      4.01115828
  O     -1.79459804     -0.13752785     -1.94349475
  H     -3.71209704      7.31627241      2.48770648
  H      2.10274433      1.98146648      2.53996007
  O      3.11501029      4.82714935      2.97481724
  H     -2.30176370      6.70281086      2.62746622
  H      3.08235472      3.65332939     -3.45654919
  O     -4.41803016      3.23017135     -1.73030752
  H     -0.61662687      0.94224996     -0.96656478
  H      1.70279673      3.81632515     -2.77653222
  O     -2.37924712      2.08196208     -3.39298622
  H     -0.82434934      2.01648907      0.12957173
  H      2.25999408      6.25370519      3.60278927
  O      1.96981985      2.24669487      3.46859319
  H     -0.14902186      6.63410207      3.89110172
  H      2.26639982      7.43001935      4.60322495
  O      2.63404669      4.09079076     -2.73683091
  H     -0.87608203      5.31329496      3.61311033
  H     -4.16093914      1.57908939     -0.71369924
  O      1.75667802      7.03027084      3.90321006
  H     -2.78082805      1.90424486      0.91921676
  H     -3.20593951      0.37305377     -0.71515532
  O     -3.80722688      0.87718906     -0.15273513
  H     -2.47881878      3.42425173      0.86056693
  H      2.11314408      5.95743223     -2.80407101
  O      1.74478357      6.82982718     -2.61728769
  H     -0.52966305      8.27460624      0.45449484
  H      0.83137825      6.67316065     -2.35663896
          69
 Energy    -248.06606810178073     
  O     19.54828621     10.95234776    -17.43609708
  H     19.17424299     10.31170501    -18.05065433
  H     15.37399859      7.30902598    -12.05198496
  O     13.41435798      7.28268888    -14.49112627
  H     18.80706703     11.42695807    -17.03605149
  H     21.20752411      8.75728481    -15.00986015
  O     17.77701737     13.13246576    -12.22049368
  H     13.97861451      6.93658751    -13.77296476
  H     20.40115621      7.60917679    -15.63905641
  O     19.92608013      6.63184287    -12.71600956
  H     12.52211978      7.00498759    -14.30635796
  H     17.91774241      8.38654241    -15.80119056
  O     15.85542657      8.73887302    -18.53346335
  H     18.40614350     12.55577004    -12.67612315
  H     17.63768392      8.65841497    -14.30841464
  O     14.47580760     12.32051143    -13.25200319
  H     17.32580289     13.62694183    -12.91535667
  H     15.80320936     10.03979394    -11.24327175
  O     14.78921682      9.73552511    -14.36019371
  H     20.36872237      7.03643616    -13.48529875
  H     15.38535252      9.37508990    -12.56766858
  O     19.24979098     11.30165395    -13.72465881
  H     20.60739811      6.23716865    -12.17923566
  H     14.79564925     10.66241794    -16.18715104
  O     17.47363214      5.45796171    -13.58130675
  H     15.60432813      9.55691269    -18.07754003
  H     16.08557189     11.34573171    -16.64284014
  O     17.47968231      5.08624404    -16.48800892
  H     15.59404510      8.02105763    -17.94649645
  H     15.77067073     12.25701983     -9.93944621
  O     15.43901908      6.88476348    -16.38646069
  H     14.49634941     11.45265263    -13.67523748
  H     16.61220189     12.28975386    -11.23704001
  O     15.12502524      6.53777704    -12.57323755
  H     14.80483257     12.18409610    -12.35491280
  H     18.85914113      8.12673866    -12.48565482
  O     20.97112692      7.83059588    -14.88861320
  H     14.20592559      8.96984039    -14.44692000
  H     17.53495805      8.92406349    -12.15766992
  O     17.22533197      8.64761960    -15.18175640
  H     15.65184257      9.48876410    -14.72900121
  H     15.72980899     14.92412785    -14.63780202
  O     15.77728583      9.19034750    -11.70372180
  H     18.99116669     10.47027269    -13.30060807
  H     15.49591715     13.51738769    -14.03753882
  O     15.26841982     10.94654509    -16.97447395
  H     20.05616125     11.12444679    -14.22278871
  H     18.62947514      6.52195744    -16.85756152
  O     15.87943530     11.83228831    -10.78598609
  H     18.34026735      5.76687321    -13.29056917
  H     18.95027925      7.78984619    -17.72539633
  O     18.36730866      8.94072591    -12.64760002
  H     17.55788520      5.26152616    -14.52005592
  H     18.07807537     11.75744788    -15.10240488
  O     16.17527028     14.11721706    -14.39491771
  H     17.29427473      4.24882086    -16.90504312
  H     17.12017360     12.90780349    -15.46773278
  O     19.09388263      7.36848565    -16.86813367
  H     16.65785964      5.60638810    -16.51997236
  H     22.16016147     11.06484050    -15.66819111
  O     17.55244704     12.12331862    -15.82746987
  H     14.62907695      6.89459304    -15.86363985
  H     20.76215172     10.70233185    -16.22246954
  O     21.35824182     10.59366163    -15.45867508
  H     16.05703054      7.47633902    -15.92756978
  H     18.60522040      8.86846162    -20.06268772
  O     18.47062101      8.88495522    -19.11941222
  H     15.94509579      6.12542343    -12.88466870
  H     17.50786471      8.84697406    -18.97042341
          69
 Energy    -248.06594469264496     
  O     -5.31333320      6.45679654     -3.08581706
  H     -4.47587601      5.97553807     -2.94276971
  H     -2.93789301      4.31933214      5.70455824
  O     -3.42902104      2.59821142     -1.26311529
  H     -5.34651256      6.68524837     -4.01041034
  H     -7.31775106      6.88989511      0.15784807
  O     -2.67373655      6.52691080      3.44774808
  H     -4.31354726      2.21805099     -1.21970736
  H     -7.55490093      5.66798759      1.07262906
  O     -4.76902714      3.98632714      6.22334883
  H     -3.04516206      2.45564186     -0.38892079
  H     -3.70344135      9.30073016      2.28655184
  O     -5.38620093      7.81787176     -0.58811209
  H     -2.39051879      6.04323324      2.65839111
  H     -2.43785820      9.98576421      2.85677074
  O     -7.00554665      8.02152985      3.52190614
  H     -2.64185594      7.46307073      3.21489961
  H     -6.74757848      1.26543853     -1.31340209
  O     -5.34127677      9.38343553      1.78330572
  H     -5.09625998      3.74003065      7.08398908
  H     -6.41088735      2.76500644     -1.13959678
  O     -3.09869972      5.05566654     -2.52199388
  H     -4.81711399      3.19034771      5.66337099
  H     -2.34073368      3.43036771      1.38611416
  O     -2.06301540      5.17740573      1.11030118
  H     -5.46121740      7.55402622     -1.51339979
  H     -2.28757755      2.19991392      2.32172681
  O     -5.25879443      6.01664547      4.37860527
  H     -5.08295259      7.02156594     -0.12341366
  H     -3.49951089      8.40013295     -0.50220646
  O     -4.68385699      1.83505201      4.57544880
  H     -7.86059285      7.60707150      3.42590214
  H     -2.51774879      8.74297858      0.63276842
  O     -2.10399302      4.38587885      5.22300366
  H     -6.43025640      7.35784414      3.93179324
  H     -6.25809474      5.06659557     -2.21924574
  O     -7.87642830      6.11692878      0.27603933
  H     -5.98209472      8.98329715      2.38886371
  H     -7.16585144      4.98256371     -0.96437459
  O     -2.75629682      9.16969657      2.48020280
  H     -5.48507138      8.98203771      0.91838271
  H     -1.12888072      1.44420069      4.50365449
  O     -6.18921132      1.86908662     -0.83039581
  H     -2.33034433      5.47747502     -2.12190391
  H     -1.85592242      2.81068061      4.49874040
  O     -2.64361985      2.51523901      1.48243135
  H     -3.15993070      4.16570432     -2.14504607
  H     -0.16955669      6.76028242     -1.48827648
  O     -2.56205573      8.48150028     -0.29536935
  H     -2.98897707      5.26279663      0.82561381
  H     -1.51760926      7.22938488     -0.88478628
  O     -6.59346893      4.46148285     -1.54747928
  H     -1.52782569      5.53809263      0.39459170
  H     -6.27106521      3.79209845      2.27174022
  O     -1.85774898      1.91684067      4.11113682
  H     -5.15860948      5.38191940      5.09916956
  H     -6.16877330      5.10855057      3.11267107
  O     -1.00244635      6.44500900     -1.14892050
  H     -4.37166484      6.21851945      4.04881056
  H     -4.45362957      2.36810385      1.72946790
  O     -6.58814683      4.70384127      2.34100516
  H     -5.07182628      1.85284920      3.69148027
  H     -5.76495390      1.98687296      1.00763765
  O     -5.40408784      2.23732393      1.86659005
  H     -3.73639651      1.70016851      4.44501330
  H     -5.04044716      4.91114425     -0.32596284
  O     -4.68385565      5.36270153      0.44741649
  H     -2.17248184      5.18348290      4.68279501
  H     -5.29415099      5.17163728      1.17195034
          69
 Energy    -248.06547384684777     
  O     11.64196628     10.07628853    -15.49664622
  H     11.90024923      9.24255432    -15.91408666
  H     15.47550556      5.06037182    -15.29152058
  O     15.40893606      6.33627178    -12.66178508
  H     12.32439220     10.71748480    -15.72725087
  H     19.46533750      7.22407778    -13.91636087
  O     17.43704754     10.31881835    -12.84251381
  H     15.11091094      7.04060881    -13.26015459
  H     20.49203383      7.93433872    -13.02394332
  O     17.78387657      9.81901783    -15.60689142
  H     15.35334213      5.52294493    -13.17807839
  H     15.02205329     10.65160154    -16.97858738
  O     12.25029983      5.37024240    -14.84669993
  H     17.43693087      9.46908987    -12.38424831
  H     16.40174920      9.97829644    -16.77388760
  O     15.21161569     10.93141477     -9.69258697
  H     17.55052341     11.00615253    -12.16875667
  H     14.78391603      9.12215014    -14.27307913
  O     13.80220914      7.37821584    -10.70858423
  H     17.74655143     10.05260580    -14.66998057
  H     13.94051739      8.09852977    -15.08783449
  O     14.83550432     10.83040411    -13.59355221
  H     18.26600662      8.98691736    -15.65227249
  H     11.11110529      9.80024906    -13.88092315
  O     16.26490368      6.60163578    -16.18542567
  H     12.07389450      5.88027005    -14.03548007
  H      9.96216201      9.89734296    -12.84883750
  O     16.06790924      8.25252150     -9.20274433
  H     11.56987957      4.70358636    -14.90015475
  H     11.36740658      7.76776534    -12.77016072
  O     18.90144865      7.13020527    -15.67197692
  H     14.43664605     10.77613730    -10.24646135
  H     12.31640703      6.94927309    -11.87615564
  O     14.99848706      4.49697029    -14.66874081
  H     15.50828879     10.05689433     -9.41009884
  H     18.30698809      7.58266884    -11.93609351
  O     19.73950501      7.34665199    -12.99521448
  H     14.33251262      6.90120080    -11.36638977
  H     16.79667011      7.20952230    -11.93908371
  O     15.62820129     10.00567999    -17.35692671
  H     14.42255655      7.61047356    -10.00794250
  H     16.60947507     11.78557657    -10.37170434
  O     14.70891516      8.19166182    -14.51151586
  H     14.27341669     10.61557032    -12.83649541
  H     17.53192488     13.01500655    -10.45457129
  O     10.85812996      9.59237031    -12.96343352
  H     15.75721729     10.74601552    -13.31360618
  H     15.08079555      8.53236689    -18.01337161
  O     11.73785495      6.88534211    -12.64499824
  H     15.85555092      6.79790338    -17.03692243
  H     14.75531430      7.66822007    -19.25897554
  O     17.45284942      7.79695412    -11.53577243
  H     15.84940831      7.21504972    -15.55989291
  H     13.42013303      9.10316127    -11.24286075
  O     17.39845859     12.14293451    -10.81452876
  H     16.53353967      7.89334135     -8.45169547
  H     12.35147157      9.98296535    -11.92967123
  O     14.76490720      7.65512466    -18.30652350
  H     16.64011566      8.11419276     -9.97708628
  H     14.24605767     11.53139019    -15.07739514
  O     13.21722398     10.01269121    -11.50359184
  H     17.98691276      6.85900894    -15.85872521
  H     13.93661784     12.73473585    -15.99862778
  O     13.87847617     11.78426679    -15.94314678
  H     19.43251362      6.80283933    -16.39417313
  H     13.30615861      7.55466434    -17.12287604
  O     12.68353406      7.66430672    -16.39295360
  H     14.06428905      4.71925335    -14.77362211
  H     12.50221734      6.79855778    -16.00332115
          69
 Energy    -248.06546498378987     
  O      0.76700186      0.02811976      2.93451907
  H      1.31690215     -0.21698144      2.18193726
  H     -2.77243071      2.61058769      0.83297955
  O     -2.54797242     -0.61754710     -3.61562442
  H     -0.14626222      0.07659172      2.61123048
  H     -1.13043251      3.70665365      1.36352369
  O     -0.04312930     -1.36854184      5.17293327
  H     -2.47882852     -0.32684674     -4.52129548
  H     -0.05574316      4.76150846      1.04400771
  O     -4.35682608     -0.56147432     -1.43449298
  H     -1.80482338     -0.21478101     -3.13431017
  H     -1.82092126      1.03702274     -0.86053928
  O     -1.82353837     -3.10857974     -2.32713075
  H     -0.13735947     -0.71766587      5.86504065
  H     -3.30342198      0.69032194     -0.62681086
  O      0.09472186     -2.11735251     -0.61642724
  H      0.34755487     -0.89837548      4.41959200
  H     -2.10186364      0.40663920      1.24182187
  O     -5.40738254      2.15938008      2.38648518
  H     -3.90699538     -0.55440672     -2.28773766
  H     -2.48672368      0.16928114      2.73448560
  O     -4.17124640     -2.14484627      3.96649897
  H     -4.11149439     -1.39351036     -1.00163590
  H     -2.90123126     -2.91811776      0.46350750
  O      0.73314086      2.72686579      3.74837285
  H     -2.53097257     -3.22346323     -1.67931793
  H     -4.43954749     -2.94825112      0.46650235
  O     -0.54707531      0.29345827     -1.96416342
  H     -2.11388077     -2.39583541     -2.90828418
  H      2.96210132     -0.88000974      0.32079175
  O     -3.70072314      0.60919991      4.04077497
  H     -0.40941434     -2.56576634     -1.31120182
  H      1.46560740     -1.16980206      0.07614791
  O     -2.88908730      3.23062980      1.56985848
  H     -0.34448752     -2.36434455      0.21041660
  H     -2.27976263      2.96034722      3.43559785
  O     -0.17740109      3.83347886      1.23596518
  H     -6.22698749      2.58088240      2.63173936
  H     -1.03187984      2.72019638      4.29442012
  O     -2.57678684      1.23285016     -0.29317853
  H     -5.63721254      1.43222414      1.78022650
  H      0.69453378      2.55779090      0.09520106
  O     -1.84371925     -0.05347629      2.04962539
  H     -4.02178664     -1.20239305      4.12537136
  H      1.50472998      1.23913784     -0.05386918
  O     -3.67303525     -2.92608621     -0.12046743
  H     -3.33683454     -2.59381016      4.14148658
  H     -1.04351582     -2.70852308      4.65377550
  O      2.08319287     -0.56800055      0.52334326
  H      0.88197627      1.79965028      3.51941491
  H     -1.42871505     -4.19697596      4.81429007
  O     -1.99796063      2.68987920      4.31762482
  H      0.55819366      3.17042961      2.90943394
  H     -1.46199463     -3.12780543      2.44510532
  O      1.06610733      1.94197531     -0.54763745
  H      0.07317407      0.95828503     -1.62801688
  H     -1.65311389     -1.76148743      1.75606333
  O     -1.61244268     -3.41482331      4.30068133
  H     -0.33887614     -0.53386207     -1.50894657
  H     -6.44195800     -3.17190240      2.06598254
  O     -1.47488412     -2.70018821      1.58223345
  H     -3.07996922      1.28717963      4.35200668
  H     -5.16894180     -2.47386397      2.60202323
  O     -5.71292122     -2.61524885      1.80575816
  H     -4.38767178      1.08546903      3.55742172
  H     -5.95998237     -0.83970381      1.18975868
  O     -5.95586864      0.04179855      0.79638003
  H     -3.78675500      3.06116979      1.88074337
  H     -5.56813908     -0.07036388     -0.08055495
          69
 Energy    -248.06519077498774     
  O      0.40832734      0.26119177      2.66831507
  H     -0.27498736     -0.39560479      2.47873976
  H     -2.83760541     -2.64210976      4.96049941
  O      1.22964999      3.70016583      3.82229422
  H     -0.05324918      1.09666823      2.81648237
  H     -3.20524294      1.63295565      0.89584912
  O     -0.08238068     -3.76530337      6.99733377
  H      1.11281905      3.74935752      4.77878873
  H     -2.35782540      1.71425341      2.18437351
  O      1.85105140     -0.35257830      9.22216152
  H      2.11918881      3.35753124      3.67241796
  H     -5.41421998      2.91185001      5.85101939
  O      1.80394938     -2.93765313      5.08073053
  H      0.68466819     -3.52852235      6.45754072
  H     -4.64994715      1.84124191      5.05139011
  O     -1.79511162     -1.36475080      2.30734657
  H     -0.17224310     -3.08916143      7.67795953
  H     -1.78020403      1.43155088      6.29121880
  O     -0.15630340     -3.53556556      3.23679175
  H      2.72876988     -0.57027433      9.52634520
  H     -2.79870350      2.55127514      5.93520988
  O      3.15205027      0.12696156      2.27834070
  H      1.96848789      0.29271787      8.50670968
  H     -4.21587885     -0.34983698      4.25470251
  O      3.85409538      2.63575386      3.46403830
  H      1.23236052     -3.18033398      4.33370161
  H     -4.18045508      0.69328815      3.11893004
  O      4.40977601      0.92696838      5.51596509
  H      2.64621195     -2.61854621      4.73377738
  H     -0.37024520      3.20603447      6.42991216
  O      4.10358699     -1.62087375      4.11821484
  H     -2.25211572     -0.61404354      1.90885774
  H      0.33498215      4.39265119      7.12486982
  O     -3.02036011     -1.70797694      4.79907983
  H     -2.21873565     -1.50110537      3.16825268
  H      0.75019356     -0.10391333      4.38820957
  O     -2.98108360      1.15515804      1.69047234
  H     -0.63608694     -2.88017105      2.71730641
  H      1.18363927     -1.28281809      5.30378181
  O     -4.53648659      2.60511652      5.64343474
  H     -0.81672135     -3.92284822      3.82564564
  H     -2.41995769     -5.18844105      5.39859749
  O     -1.85326119      2.34620683      5.98531613
  H      2.18463259      0.14002377      2.27511232
  H     -1.38947628     -4.16053882      5.92636440
  O     -4.62697990      0.46707831      3.94355362
  H      3.42028933      1.01953797      2.52768919
  H      1.61650878      2.16248265      6.98510650
  O      0.49817467      3.60598044      6.61046102
  H      4.61790987      3.16627899      3.25164891
  H      1.66341015      0.72429812      6.40631059
  O      0.85566712     -0.37369422      5.30939289
  H      4.10355350      2.07788927      4.22170757
  H      0.33356991     -1.21365853      9.07232477
  O     -2.06787807     -4.31620239      5.24422875
  H      4.32348333      0.02323647      5.19015549
  H     -0.88406719     -1.84414769      9.78630709
  O      2.08334383      1.32094049      7.04750347
  H      3.68969682      1.06796943      6.14553389
  H     -0.33659458      3.04143070      3.30364044
  O     -0.51095525     -1.67341897      8.92521794
  H      4.90198921     -2.02479953      3.78699117
  H     -1.47044043      2.42589574      4.15677927
  O     -1.14581737      2.50936030      3.25036365
  H      3.76685421     -1.04792761      3.40519368
  H     -0.67869663     -0.35913634      6.15408800
  O     -1.50056523     -0.31436257      6.66861161
  H     -2.55292494     -1.21531335      5.48857998
  H     -1.30916505     -0.73887134      7.51258827
          69
 Energy    -248.06517101334771     
  O     13.93597433      9.24738711    -10.75772177
  H     13.68584889      9.85308201    -11.46956050
  H     18.58638516      4.54866982    -10.00517656
  O     13.21913546     10.07324289    -16.60127132
  H     14.44053794      9.74067434    -10.09933590
  H     12.48809641      6.45236815    -11.04902144
  O     16.30109240     11.03122308    -13.42965960
  H     12.98624751     10.90444927    -16.16879403
  H     13.18665003      7.59577606    -10.30547310
  O     14.21645832      4.48619627    -12.83700378
  H     12.97236690      9.37602848    -15.98099211
  H     19.08392986      8.01418530    -13.03393582
  O     16.71221410      7.77757035     -8.73022088
  H     16.76382932     11.01038813    -12.58069291
  H     18.60381920      8.26645798    -14.48028478
  O     15.62813523     12.66214721    -15.60969154
  H     15.36853249     10.84408410    -13.26225927
  H     13.90757889     12.67787797    -15.28830828
  O     15.87611057      7.75059811    -12.11034759
  H     14.70917073      4.66337461    -12.02957185
  H     12.50660683     13.33120079    -15.19324594
  O     13.51546963     10.57980262    -13.11037078
  H     14.86328275      4.44345384    -13.55264655
  H     12.44280470      7.55273914    -13.93528205
  O     17.55445076     10.73334234    -10.99087608
  H     16.19234511      7.03104497     -9.04436413
  H     13.76985559      7.87421552    -14.65582307
  O     18.37347959      5.05514078    -13.53434545
  H     17.42031810      7.87920806     -9.37877267
  H     15.82982704     10.43183005    -18.39067969
  O     16.14213662      4.59388650    -14.91844072
  H     15.79429966     12.03796142    -16.32646381
  H     14.87483351     10.24305014    -17.18911521
  O     18.21476217      5.13176831    -10.66328064
  H     16.00314132     12.25150550    -14.81741757
  H     11.21037152      5.49373752    -13.02563998
  O     12.95293092      6.65977606    -10.22984834
  H     15.18795909      8.30655950    -11.72108773
  H     12.75229593      5.45461927    -12.93157433
  O     19.14270387      7.67913186    -13.93399031
  H     15.67256338      7.59086763    -13.03935186
  H     14.56114472      5.81669960    -10.17588910
  O     12.96992843     12.50541175    -15.08639161
  H     13.25573821      9.76504196    -13.56685141
  H     15.68064187      6.33737379    -11.08075368
  O     12.89097080      8.23213827    -14.45189655
  H     13.22547371     11.31260375    -13.66638635
  H     17.51620440      7.97535563    -11.52014539
  O     15.79636416     10.43604911    -17.43780455
  H     16.95974125     10.71805764    -10.23107684
  H     18.60300637      7.04217889    -10.94783824
  O     11.97808202      6.04394642    -12.88964865
  H     18.05346694      9.90929648    -10.95357893
  H     16.11047786      7.89734934    -15.09160551
  O     15.48275025      5.64741928    -10.42470262
  H     18.39861863      4.97322448    -12.57564110
  H     15.69432549      6.38090905    -14.97155885
  O     18.38823468      7.97262160    -11.08546964
  H     18.71210316      5.93867348    -13.74622544
  H     16.02721501      9.40721715     -8.67232211
  O     15.41354070      7.28918972    -14.80847992
  H     16.98313078      4.70205263    -14.43602104
  H     15.61049143     10.73455779     -7.99228140
  O     15.69356976     10.30625463     -8.84014431
  H     16.30433881      3.97734905    -15.62663482
  H     16.89818382      9.63461113    -16.15448027
  O     17.25174776      9.26982890    -15.33358581
  H     17.25914983      5.16464275    -10.49680946
  H     16.98236480      9.88092922    -14.63018680
          69
 Energy    -248.06503433155069     
  O      9.93037453      7.23350261    -10.44107955
  H      9.85157118      6.45080109     -9.88125363
  H     11.28933930      9.04603604    -13.49143726
  O     12.19060025      8.77845189    -10.54594936
  H      9.28418107      7.88772265    -10.14932466
  H     13.53652098      4.26211684     -8.11063539
  O     12.02740106      7.47307128    -14.31337034
  H     12.42910511      8.83137372     -9.61415249
  H     14.00831776      3.77557258     -6.71826074
  O      9.88025055      9.94442565     -7.56360122
  H     11.41937552      8.19004821    -10.55781059
  H      9.23490209      9.83524171    -12.67567914
  O      5.79771822      6.10075180    -11.11452578
  H     12.43492096      7.45311170    -15.17434506
  H      7.91625269     10.57732473    -13.00130591
  O      6.59013373      6.46755851     -6.87075925
  H     12.74653754      7.40409210    -13.65666566
  H     12.06267417      5.47126468     -6.94696185
  O     13.44228957      3.99268879     -9.83368713
  H      9.33846580      9.80740873     -8.35918384
  H     10.76299893      5.53456205     -7.77771877
  O     13.81336879      7.40462554    -12.32769516
  H      9.68521992     10.82437394     -7.25051610
  H      8.88560959      4.66775882     -9.08397007
  O     10.13172870      5.99048877    -12.87298460
  H      6.40523817      6.44342424    -11.79287366
  H     10.21460529      4.32104207     -9.84910393
  O      7.14470956      4.69766176     -9.02788206
  H      5.01810982      5.80149894    -11.57514513
  H      8.34621781      6.64325190    -13.08497778
  O     15.40001060      5.94261026    -10.52282825
  H      6.13506025      6.31104555     -6.04792276
  H      7.73565735      8.04317010    -12.85586959
  O     10.94215046      9.71347227    -12.88772536
  H      7.46504956      6.82909431     -6.64118718
  H      9.28053173      8.36620990     -6.64637562
  O     13.64648431      4.52724919     -7.17895482
  H     12.69379066      3.95418733    -10.43849952
  H      9.80804681      6.93304394     -6.43951122
  O      8.27566656      9.84662123    -12.50509418
  H     14.08657474      4.60065544    -10.21903339
  H     11.60316410      9.12287076     -7.63842744
  O     11.26801534      5.99781308     -7.09186936
  H     13.33245617      7.93373513    -11.67444203
  H     11.97853566      7.63448834     -7.56789096
  O      9.84498654      4.81127262     -9.10656092
  H     14.42472192      6.86226437    -11.81844386
  H      5.82225637      7.45850508     -9.80316971
  O      7.51091672      7.11065747    -12.96212901
  H     10.75763594      6.45663969    -13.44198020
  H      6.09711844      7.59551626     -8.29174128
  O      9.02944449      7.49380856     -6.32278487
  H     10.05203265      6.50296465    -12.05131659
  H     10.84628764      2.98436258    -11.91706893
  O     12.33915377      8.51194479     -7.76554614
  H      6.90354779      5.21946461     -8.25117451
  H     10.75903734      4.52052386    -12.03553776
  O      5.98609884      8.10515862     -9.10470083
  H      6.68263449      5.09940676     -9.77404871
  H      7.43727134      8.99525365     -9.48746634
  O     11.06103558      3.79629222    -11.46350070
  H     15.20529088      6.40049535     -9.68532747
  H      8.23841239      9.65836402    -10.65601575
  O      8.29330851      9.38085134     -9.73348109
  H     16.34428531      5.81179368    -10.54762974
  H     14.45337926      6.20149274     -7.65044210
  O     14.73801816      7.00475236     -8.10565441
  H     11.43339016      9.60066908    -12.06276709
  H     14.04544319      7.65797650     -7.94766685
          69
 Energy    -248.06496198798308     
  O     14.82908374     10.34316634     -9.53780449
  H     15.05910086     11.26670953     -9.37504963
  H     11.16789049      9.16281171    -10.76070348
  O     16.87638531     13.19878488    -13.41277641
  H     15.51581250      9.97948713    -10.11551735
  H     13.58146733      6.03661248    -10.50915268
  O     10.93498844     10.71827008    -14.77871658
  H     17.57176476     13.74426533    -13.77002943
  H     15.13104382      6.14213508    -10.62168861
  O     10.03699237      8.24593730    -13.59328545
  H     17.24714625     12.73768263    -12.63911726
  H     11.54260286      7.20511323     -9.86547997
  O     12.87834500     11.89104261    -13.12504421
  H     10.28702894     11.14233429    -15.33589668
  H     11.62223597      5.96804058     -8.94896870
  O     15.20559541     11.22686114    -14.51301659
  H     11.69466811     10.50438432    -15.35339714
  H     13.84796159     13.25010988    -12.24401538
  O     15.59969312     13.00995552     -9.45568646
  H     10.16253112      8.28598657    -12.63989572
  H     15.30162634     13.72432233    -12.43948567
  O     16.87860844      9.22498881    -11.08322878
  H     10.32212282      9.10002090    -13.94472337
  H     13.39903508      9.35283998    -16.45180351
  O     14.34826484      5.04172552    -13.82578887
  H     12.13136856     11.61669456    -13.67209283
  H     13.92001056     10.66053103    -15.81056608
  O     17.68053515     11.93829232    -11.14321237
  H     13.68067169     11.63007786    -13.60233831
  H     17.14180024      6.35890211     -9.02530489
  O     13.71488034      8.20213453    -12.61959634
  H     15.62008903     10.37909883    -14.30103106
  H     15.83954335      7.19856647     -8.97143422
  O     10.49188232      8.46847660    -10.65995123
  H     15.82717977     11.91837610    -14.25578479
  H     15.57478285      5.86927382    -14.78280742
  O     14.32627873      5.94247878    -11.11681388
  H     15.16805416     13.33171983    -10.26828359
  H     16.74976631      5.83663213    -15.78659785
  O     12.15825731      6.60983332     -9.41039256
  H     15.61079928     13.73773758     -8.84053631
  H     13.16756463      7.24126748    -15.98191050
  O     14.55156349     13.76834001    -11.83272853
  H     16.71601250      9.03401549    -12.01829125
  H     14.67145994      7.24786106    -16.29677890
  O     13.14839025     10.26139127    -16.22867641
  H     16.91141475      8.38072983    -10.61838654
  H     12.76425974      7.29968348    -13.89167992
  O     16.51959714      6.83585672     -9.56818901
  H     14.38067698      5.17142771    -12.87008157
  H     11.31501414      7.07875428    -14.30455838
  O     16.17698696      6.42804924    -15.30587936
  H     13.50331262      5.41802756    -14.11072410
  H     14.50029920      8.83098900     -8.52167710
  O     13.82783831      7.61044882    -16.58556238
  H     17.55366006     10.98128017    -11.10308652
  H     13.61260023      7.55879085     -8.50079780
  O     12.20746660      6.74644510    -14.46050643
  H     17.11121003     12.31407662    -10.46065943
  H     16.32217170      7.99281408    -14.30630956
  O     14.45104637      7.92152507     -8.19344727
  H     13.28764010      8.87063133    -12.07356636
  H     15.23882690      8.57644256    -13.37425436
  O     16.13680951      8.73020675    -13.71261464
  H     13.93145500      7.44224133    -12.06083657
  H     12.60857715     10.85384734    -11.71900614
  O     12.52984401     10.18925651    -11.01970755
  H      9.71135072      8.89348832    -10.31146100
  H     13.29339155     10.28594118    -10.43442663
          69
 Energy    -248.06493881774651     
  O     -1.31338810     -2.94086988     -1.32200343
  H     -1.83495748     -2.24240830     -0.90881717
  H     -3.30477395     -1.68054423     -4.11580095
  O     -0.96332915      1.55948442     -1.06618286
  H     -0.75998920     -2.49216012     -1.98028473
  H      1.74621355     -2.52391897     -2.99174715
  O      2.81933491     -2.38899299     -0.13724385
  H     -1.49971381      1.90170346     -1.79113608
  H      2.36094939     -3.93734367     -2.95397762
  O     -3.47516354     -0.45266537     -2.89138749
  H     -0.11424175      1.31500206     -1.46460500
  H     -1.60076726     -1.61114477     -5.52997486
  O      1.55261395     -5.64947115     -3.01109330
  H      2.87069565     -2.57627426     -1.08270538
  H     -0.17581388     -1.70764061     -6.19480611
  O      0.35946458     -2.97809133      0.97702163
  H      2.93244008     -1.43657202     -0.03624538
  H      0.60695878     -0.74648622     -2.72851630
  O      2.51644922      1.24748424     -4.65338502
  H     -3.30753477     -0.57284953     -1.94957820
  H     -0.08691375     -1.40484495     -3.96493414
  O      2.88226737      0.46404324      0.20916503
  H     -3.15268237      0.43064182     -3.11033839
  H     -2.18081820     -0.80387786      0.69844669
  O     -0.32728979      1.51938327     -5.13044359
  H      0.65909865     -5.63935481     -2.63375070
  H     -1.93434817      0.10464309     -0.51796396
  O      1.43580296      0.73897802     -2.14734931
  H      1.98197328     -6.43222444     -2.67326675
  H      1.33825729     -2.89118484     -7.88186752
  O     -2.35253377      2.12593555     -3.43978364
  H     -0.17288803     -3.06917761      0.17775809
  H      1.02326875     -3.53812579     -6.51103485
  O     -3.19376475     -2.29837915     -4.85984926
  H      1.26545491     -2.82615725      0.67094416
  H     -2.40942367     -4.01550442     -4.66744367
  O      2.58887135     -3.00066323     -2.92863762
  H      3.22256632      1.77412567     -5.01737553
  H     -1.79786959     -5.12942217     -3.78599348
  O     -0.75886215     -1.15588174     -5.65776954
  H      2.71339683      0.32024967     -4.88009963
  H      1.07633600     -5.24721638     -4.85106539
  O      0.23639868     -1.57130539     -3.07150615
  H      2.06057221      0.67238863      0.69007581
  H     -0.31800075     -4.95320218     -5.42919391
  O     -2.45521697     -0.65428701     -0.21463563
  H      3.58713301      0.92344437      0.65735984
  H     -1.21416611     -4.60741248     -1.72796220
  O      1.18170284     -2.68885333     -6.96375237
  H      0.62858083      1.55483613     -5.02028755
  H     -1.54567371     -6.08568775     -1.41679635
  O     -1.95921462     -4.86837530     -4.69992262
  H     -0.52090128      0.61671450     -5.42402161
  H     -0.53662279     -1.80619924      1.86542627
  O      0.62672649     -4.94740596     -5.64739007
  H      1.90613916      1.01069259     -2.94558871
  H     -1.32424701     -1.38309810      3.13001012
  O     -1.07538900     -5.52382638     -2.02735582
  H      2.06679246      0.65689171     -1.42071395
  H      2.44697569     -1.80299694     -5.85458322
  O     -1.10339902     -1.10868091      2.24463074
  H     -2.81906793      2.88747734     -3.77333124
  H      3.04122205     -1.95459548     -4.43949437
  O      2.99863280     -1.35905898     -5.19920331
  H     -1.61717823      1.95541066     -4.05568728
  H     -0.07546291      1.41780995      0.62219006
  O      0.48157207      1.06821501      1.32969974
  H     -4.02649528     -2.31140951     -5.32570586
  H     -0.03213904      0.36324342      1.74347823
          69
 Energy    -248.06488809993877     
  O     15.84042982     14.21432790     -8.97882327
  H     15.79902889     15.16119609     -9.09056033
  H     13.52020385      9.41381506     -7.44391669
  O     17.23913614      4.56951302     -8.08681860
  H     16.64172411     13.91391945     -9.43864834
  H     17.90360404     10.84539161    -13.13371944
  O     19.62330671     12.89197767     -7.64887811
  H     16.28904352      4.45716955     -7.95677197
  H     17.34121804     10.15059918    -14.39543949
  O     14.39769348      4.79757807     -7.71369554
  H     17.56495676      4.96866745     -7.26990352
  H     17.91473604      8.91919578    -12.11948368
  O     12.41633900     10.51215865     -8.47209961
  H     20.36312647     13.32051557     -7.22753848
  H     18.05086855      7.89263713    -10.91416820
  O     19.12883350     11.88333802    -12.38180386
  H     19.89277897     11.96999494     -7.81507862
  H     17.74373118     12.18773889     -9.96097006
  O     20.33029520     10.36026146     -8.25304165
  H     14.40725821      5.56070669     -8.31863054
  H     18.74434887     13.14339700     -9.27506061
  O     14.68729351      7.04073283     -9.23177128
  H     13.63197870      4.27688124     -7.94039207
  H     18.20432767      5.83505326     -4.89087153
  O     16.63017901     10.07857573     -7.11536903
  H     11.52910306     10.81756335     -8.30254838
  H     16.94730450      6.33566104     -5.63932714
  O     13.77392574     12.43478393     -9.80701900
  H     12.89016737     11.25334477     -8.89044051
  H     13.86397716      9.49580093    -11.16279593
  O     16.91526455     12.76296122     -6.70818827
  H     18.82013854     12.47016693    -11.67944632
  H     12.86448829      9.37811470     -9.99727391
  O     14.18696114      8.80233732     -7.10711334
  H     19.82516834     11.34798847    -11.98181578
  H     16.88690124     10.35353583     -8.86789314
  O     17.25536110     10.18870313    -13.44649692
  H     19.85322187      9.57489852     -7.95514264
  H     17.60001998      9.88418722    -10.18889123
  O     18.45645350      8.64370021    -11.37054952
  H     20.56549172     10.21581038     -9.17713675
  H     17.93914183      8.91728490     -7.21394868
  O     18.12952922     13.07767257    -10.01766413
  H     15.63027544      7.06973347     -9.43865014
  H     18.52340104      7.54239109     -6.79266957
  O     17.89470236      6.13304415     -5.74207043
  H     14.20702610      7.60576673     -9.85512297
  H     17.89283692      7.40688508     -8.86534940
  O     13.30491238      8.86717060    -10.68708827
  H     15.73912975      9.72104728     -7.01126351
  H     17.43895065      5.97593942     -9.21985277
  O     17.03803081     10.56306992     -9.79885188
  H     16.64405022     11.00737365     -6.84325713
  H     20.02242312      9.38903563    -11.17842573
  O     18.62552316      8.26385291     -7.42587689
  H     14.43272096     13.06819472     -9.49989075
  H     21.55286802      9.47068928    -11.39049786
  O     17.46255238      6.88287899     -9.55699123
  H     14.14421798     12.01424548    -10.59432294
  H     14.80608804      7.40799007     -5.93446283
  O     20.80571254      9.95175206    -11.04294943
  H     16.44394790     13.30081715     -7.35483227
  H     14.84893964      5.89554617     -6.21528514
  O     15.21381231      6.58324693     -5.64298173
  H     17.85336875     12.85713519     -6.92072067
  H     15.64234833     10.65168858    -12.46926672
  O     15.08529653     10.80330038    -11.69899777
  H     14.37135771      8.18359571     -7.82970672
  H     15.68969456     10.72477513    -10.94304761
          69
 Energy    -248.06480409790112     
  O      1.83843103      0.08183331      4.48840332
  H      1.53812967      0.98947205      4.60326006
  H     -2.75697985      3.35033176      0.66112948
  O      0.98210583     -0.35024766     -2.95922289
  H      1.17236246     -0.47471572      4.91857875
  H     -3.42509124     -0.86646144      5.41452040
  O     -0.26033900     -1.57876987      5.32439612
  H      0.93299063     -1.28999151     -2.74224460
  H     -3.34789638     -0.89690308      6.96016204
  O     -0.87534336      0.63276292     -0.97624884
  H      0.25653414      0.06730956     -2.47910424
  H      0.37939565      2.83484145      2.88658892
  O      0.98252871     -3.00436068     -1.84272138
  H     -0.43768474     -1.96875184      4.46244519
  H      0.71374778      2.33581308      1.43951511
  O      3.00473346     -2.05760132     -0.32023724
  H     -1.11876643     -1.32729398      5.68516917
  H     -2.39975174      1.54037291     -0.80845529
  O     -3.87821610      2.73443325      3.53084679
  H     -1.04349501     -0.29674353     -0.76251622
  H     -3.62087198      2.21000732     -1.47854556
  O     -3.24123930     -3.53530433      2.61649387
  H     -0.07370513      0.88122198     -0.49618615
  H     -1.60774939      0.77744661      3.58328642
  O      0.63206488      2.69499099      4.73714577
  H      1.73751701     -2.74053393     -1.28552835
  H     -0.94446363      1.21457560      2.27287799
  O      3.26629220      0.45674988     -1.69862030
  H      1.21540875     -3.83297010     -2.25229335
  H     -0.93827911     -2.15972523      0.58445898
  O     -4.27607960     -1.25222793      3.94112384
  H      3.28514971     -1.23789334     -0.74513571
  H     -0.47098932     -2.48025619     -0.86873746
  O     -2.47665370      3.85934625      1.43003551
  H      2.72859325     -1.81765024      0.57512227
  H      1.98513078     -0.69309077      2.90565901
  O     -2.85771754     -0.65843548      6.17777721
  H     -3.41600205      3.26701171      2.86355160
  H      1.01144778     -1.63865480      2.17390844
  O      0.04451914      2.77447607      1.98238950
  H     -4.29372926      2.03013433      3.02818073
  H     -2.25045323      1.01273920      5.65704371
  O     -3.25225627      1.97281226     -0.63114780
  H     -3.54985755     -3.15727560      1.77226278
  H     -2.64976455      2.17934684      4.68610646
  O     -1.44744473      0.49461577      2.67337419
  H     -3.50668261     -4.45065232      2.62922878
  H      2.20666822      1.02042232     -0.26974825
  O     -1.16319496     -2.05173861     -0.34842706
  H     -0.26537370      2.40554232      4.97700798
  H      1.63227331      0.32844127      0.99637408
  O      1.82355379     -1.13313977      2.05573712
  H      0.87678231      3.37582135      5.35885800
  H     -1.58945764     -2.69409131      2.58723348
  O     -1.90735491      1.75671167      5.14780626
  H      3.90530715      0.87573177     -2.26827020
  H     -1.04777258     -1.21984666      2.56013066
  O      1.52918993      1.09410599      0.41241473
  H      2.50517420      0.21268630     -2.25495062
  H     -3.00660104     -2.15944840     -0.07123886
  O     -0.79662917     -2.15524807      2.46621113
  H     -4.00248297     -2.10512710      3.57978233
  H     -4.02606435     -1.28457439      0.69198974
  O     -3.86677458     -2.18113832      0.37083720
  H     -4.40225857     -0.67433669      3.18046549
  H     -3.95728777      0.97757442      0.81054942
  O     -4.00415941      0.41302409      1.59283850
  H     -1.55299242      3.61455460      1.58206187
  H     -3.11176472      0.44003248      1.97378091
          69
 Energy    -248.06474553370401     
  O     15.45928085      9.10189241     -9.54976952
  H     15.95898147      9.84855337     -9.19791399
  H     11.24331799      8.86214834    -10.19488113
  O     17.24048071     12.64074982    -12.92709789
  H     15.89324796      8.84397859    -10.37529229
  H     15.06155715      5.33967577    -12.23213869
  O     10.54405467      7.94126389    -13.10181798
  H     17.65540900     11.91498729    -12.42589978
  H     13.88357524      6.30738775    -12.49110251
  O     13.25432982     12.06056725    -11.82226872
  H     17.94858666     13.16965003    -13.28409086
  H     11.52936776      5.37420044     -8.56356052
  O     14.92542708     11.47862118    -13.96498577
  H     10.39638266      8.03070830    -12.14754139
  H     11.84733455      5.33710604    -10.07556027
  O     16.92815430     11.40152527     -8.93201864
  H     10.35271527      7.02834034    -13.35170456
  H     16.14468073     13.10723869    -11.40043640
  O     16.81823507      8.26919989    -11.88702938
  H     13.93894030     11.76299855    -12.44176373
  H     14.70886329     12.88930022    -10.88068889
  O     12.81576418      5.48633017    -15.10918487
  H     12.51726188     12.28653225    -12.39461484
  H     13.23939364     11.94184148    -14.53031521
  O     18.21733237     10.64668015    -11.39019778
  H     15.07599323     10.52719959    -14.05675710
  H     12.18881076     12.83607581    -15.21788485
  O     13.22020650      7.98754452    -12.34266415
  H     15.76307549     11.89294449    -13.72368097
  H     17.10509280      4.94195207    -10.70281235
  O     10.38863123      5.25590781    -13.92568645
  H     17.21940665     11.84487100     -8.14007318
  H     15.87538698      5.80769944    -10.32769868
  O     10.57539014      8.18106810    -10.35308481
  H     16.42464865     12.05306164     -9.45234351
  H     11.21745916      4.64946605    -12.29958345
  O     14.21919700      5.41951709    -12.69157219
  H     16.82885239      7.32675832    -11.67755056
  H     12.71191870      4.62892531    -11.94109459
  O     11.91530746      5.88361819     -9.27219006
  H     16.34684535      8.37608550    -12.72430380
  H     12.88222219      8.47845058    -15.97214046
  O     15.60742494     13.09897952    -10.59816019
  H     13.11222227      6.27498761    -15.57757788
  H     13.64270203      8.06837565    -17.25781565
  O     12.28463616     12.09645990    -14.62210179
  H     13.42669528      5.36386540    -14.36895743
  H     11.72484940     10.31801352    -15.00946503
  O     16.49808862      5.59095136    -11.04719298
  H     17.94150000     10.85078650    -10.48830554
  H     11.12328243      8.96987874    -14.52461623
  O     11.82997716      4.46865743    -11.57737524
  H     17.86215321      9.76964099    -11.59016739
  H     13.77790139      6.27908813     -9.18026202
  O     13.63013413      7.95190648    -16.31184407
  H     13.14738653      8.54311257    -11.55776600
  H     14.90685971      7.34715387     -9.11386198
  O     11.61136778      9.39037319    -15.24576126
  H     12.32549502      7.92094699    -12.70237076
  H     14.44852209      8.51756784    -13.46287375
  O     14.73515327      6.39837657     -9.17354724
  H     11.22292217      5.30587744    -14.42763530
  H     14.83594191      8.43047180    -14.94959307
  O     15.15619130      8.73523715    -14.09234244
  H      9.77518960      4.75789977    -14.45878334
  H     12.94290797     10.62857478    -10.71164736
  O     12.87654838      9.79633391    -10.22586729
  H     10.94125715      7.38423945     -9.94937837
  H     13.75333204      9.61126829     -9.86211029
          69
 Energy    -248.06460471213796     
  O     -0.30601522     12.01438687      1.59766922
  H     -0.08034095     11.78903673      0.68116099
  H      3.27425175     13.43074410      3.43174805
  O      0.28527510      9.17832603     -2.58504812
  H     -1.16864716     11.61070852      1.76428193
  H      1.47864212      9.13779687      1.68741532
  O     -2.04709752      8.55719355     -1.34440579
  H     -0.52324586      8.80892076     -2.19301633
  H      1.57296677      8.20895477      0.46357146
  O      1.97692798     14.99691502     -0.70131577
  H      1.05150616      8.74985028     -2.18715056
  H      4.80616540     12.06256953      0.60445088
  O      2.61566336     14.94187050      2.87371730
  H     -2.62800130      9.32678672     -1.33537934
  H      4.75462042     12.66651481      2.02092157
  O      4.38417191     15.40001787      0.63208053
  H     -1.94026139      8.29443075     -0.42096268
  H      1.81368026     13.31430485     -5.39602304
  O      2.13098607     10.83613749      2.08769703
  H      2.82734750     15.26868444     -0.33314195
  H      0.83296218     12.49661241     -4.52099622
  O      0.31060190     11.44638240     -0.98982623
  H      1.37703932     14.87248744      0.04853059
  H      3.35918017     11.39552021     -0.91272514
  O     -0.40354343     11.29367166     -4.29413235
  H      1.72652626     14.95687265      2.49436327
  H      3.08722559     10.80522662      0.51452016
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  H      3.20773327     15.26524959      2.18432407
  H      3.28529203      7.69447788     -1.37020808
  O     -1.59853871      8.04490763      1.40072813
  H      4.69858350     14.48572998      0.75037694
  H      3.05499278      9.14715151     -0.90004031
  O      3.70603732     12.57673587      3.61597697
  H      5.15830899     15.95279964      0.57010077
  H     -1.04643754     12.33686019     -1.67993266
  O      1.08929510      8.35018353      1.28476431
  H      2.66320015     11.34633552      2.70954333
  H     -1.28406454     13.64275590     -2.44461040
  O      5.09343974     12.81825661      1.12885223
  H      1.26608967     11.26879678      2.03429609
  H     -2.12078050     14.52276653     -0.67129767
  O      1.48464877     13.22050942     -4.50624735
  H      0.26180859     10.59660047     -1.44615949
  H     -1.22473911     15.58884851     -1.27478839
  O      3.65040435     10.73027340     -0.27166226
  H      1.10295207     11.88955859     -1.31947673
  H     -3.02272058     11.70852654     -1.55468864
  O      2.60259642      8.32932740     -1.16643181
  H     -1.06026196     11.71916003     -3.73305493
  H     -4.45781617     11.15099964     -1.46132035
  O     -1.73191683     12.83956056     -2.14997818
  H     -0.14146303     10.48461670     -3.83123006
  H      2.46987920     13.48901319     -1.51492979
  O     -1.73119550     15.38053233     -0.47992414
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  H      2.36082604     12.79756047     -2.90143282
  O     -3.56508704     11.01252134     -1.15212106
  H     -0.52246076     15.07886132      0.92023676
  H      0.72383119     15.09955530     -2.07389976
  O      2.60485854     12.64960311     -1.97952896
  H     -1.79233810      7.27981784      1.93565047
  H      0.48535254     14.53268362     -3.47819273
  O      0.04040846     14.98332786     -2.75026280
  H     -0.62963220      8.14171914      1.39219534
  H     -3.07777378     10.80550420      0.73010001
  O     -2.68720701     10.66764220      1.60078198
  H      3.98216912     12.59705355      4.52800547
  H     -2.37846020      9.75156077      1.61025624
          69
 Energy    -248.06457697413728     
  O      2.05452801     -0.75787988      6.07310103
  H      2.25796858     -1.18043919      5.22646971
  H      2.58554072     -0.10390316      1.34371708
  O      0.12818943      2.16617340      8.11808061
  H      1.86110723      0.17165493      5.89102638
  H     -0.17143133      3.03179898      1.07508380
  O     -2.22951267     -4.34388058      5.64828973
  H      0.17218994      1.30077093      8.56141459
  H      0.79682590      2.38819946      2.09800404
  O     -2.31216276     -1.64354344      9.56586314
  H      0.40482624      2.81370130      8.76169315
  H     -1.67685621      0.72151554      3.93520027
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  H     -2.93008656     -3.68406650      5.59706439
  H     -1.00203130      1.91314278      3.21566699
  O      2.37497316     -1.92431642      3.59615111
  H     -1.79296377     -4.21924504      6.50210172
  H      0.46283553      0.53588511      0.97632364
  O      2.06924948     -4.44124639      4.85298238
  H     -2.65460803     -1.15045826      8.80099243
  H      0.50625512     -1.00563293      1.16038716
  O      1.72778932     -2.39447549      8.29909156
  H     -2.99155693     -1.62876466     10.23479203
  H     -2.08276550      2.15958150      5.74225635
  O      0.20906550     -0.25648386      9.36174856
  H      2.60514752     -4.67230781      6.52463565
  H     -1.55711035      2.30258379      7.18797475
  O     -0.84876671     -3.46384183      7.93680812
  H      3.55527031     -5.38959120      7.49949926
  H      2.04607761      2.20220143      3.94350887
  O     -0.13356452     -2.31267992      2.36715659
  H      1.50481563     -2.02150047      3.18407146
  H      2.79686154      1.57752029      2.73387023
  O      3.42420164     -0.01253104      1.83299188
  H      2.88221693     -1.33030310      3.03000548
  H      0.28405257     -1.14266588      6.05496843
  O     -0.06428557      2.28109772      1.65337368
  H      2.34233242     -3.62732715      4.41114764
  H     -0.69378548     -2.22884419      6.57198930
  O     -1.31453527      1.60651140      4.07634060
  H      1.20981154     -4.66199050      4.47718689
  H     -0.71473672     -5.67779300      3.23390465
  O      0.95356159     -0.26018980      0.73836307
  H      2.21573700     -3.21722155      8.14587260
  H     -1.13263499     -4.66404291      4.32171478
  O     -2.36458736      2.21547698      6.66522506
  H      1.95568933     -1.81094193      7.56041477
  H     -2.06415575     -0.69357704      6.84576249
  O      2.27901561      2.34146102      3.01586690
  H     -0.62641221     -0.68526467      9.57713436
  H     -2.91141351      0.56955576      7.08210872
  O     -0.63617680     -1.42906109      6.03398217
  H      0.81420818     -0.97006830      9.11929063
  H     -3.85410261     -1.51335695      6.12543751
  O     -0.49869361     -4.82409273      3.60092445
  H      0.07559413     -3.24294356      8.12183113
  H     -5.11666552     -2.17411688      5.52858367
  O     -2.91327312     -0.39048501      7.20380257
  H     -1.37842128     -2.99337435      8.59281287
  H      0.26670529      1.67364805      5.02961093
  O     -4.16416266     -2.16599941      5.47601121
  H     -0.88595244     -1.83624370      2.74548723
  H      0.85446175      2.00739312      6.42237217
  O      1.09704902      1.76983591      5.51818894
  H     -0.23705850     -3.22897465      2.65490132
  H     -2.97044799     -1.41314200      4.09733975
  O     -2.12291948     -1.05823411      3.81179629
  H      4.12569763     -0.03568513      1.18771674
  H     -1.51611344     -1.23703774      4.55218443
          69
 Energy    -248.06454683163935     
  O     13.24159766     11.49601418    -16.36502063
  H     12.62123759     12.21496049    -16.45035381
  H     17.64090203      4.28550990    -14.91654987
  O     16.44430913      6.28239830    -12.84869165
  H     13.21188966     11.21145490    -15.43428249
  H     19.75146410      5.73076430    -12.07187820
  O     19.28396190      9.13630010    -13.92076686
  H     17.32475716      6.51459567    -12.52424302
  H     20.20533720      4.39806098    -11.45357225
  O     16.94878835      7.11723702    -17.37072374
  H     15.81757681      6.81914271    -12.34446678
  H     16.33343836      9.25101936    -19.73344028
  O     15.09489501      4.98213605    -16.91449595
  H     19.43341259      8.46946257    -14.60660378
  H     16.41339301      8.49485224    -18.38975085
  O     17.62210650     11.23239132    -10.46345968
  H     18.53946018      9.67809171    -14.22118987
  H     15.03156654      7.75585630    -15.22753464
  O     14.80458812      8.14521531    -11.60351883
  H     16.70105754      7.49026533    -16.50895048
  H     16.19237481      7.38530861    -14.26072957
  O     17.00174691     10.45271211    -14.73129369
  H     16.41193389      6.31972812    -17.44536822
  H     12.88956588      9.72018374    -13.62065816
  O     19.53181734      4.42286557    -14.90062032
  H     14.82791835      4.18936621    -17.37147425
  H     13.95864689     10.77177443    -13.25025493
  O     17.21850691      8.43034341    -10.03408115
  H     15.64827212      4.69972472    -16.16228713
  H     11.67048290      7.51383895    -13.13991143
  O     19.38435187      7.13318681    -15.81933873
  H     17.73825859     11.93324619     -9.82730040
  H     12.80515729      7.48240801    -14.18632752
  O     16.68164948      4.34853090    -14.83774891
  H     18.45357071     11.16664731    -10.96456067
  H     19.03628503      7.92873986    -12.55688143
  O     20.13237032      4.86201949    -12.28352574
  H     15.09563569      9.02477859    -11.88815606
  H     18.38924027      7.66345368    -11.15520799
  O     16.00134945      9.25069679    -18.83908488
  H     13.97231730      7.98155855    -12.06289831
  H     19.79553774     10.30875023    -12.65645791
  O     15.93605186      7.98047856    -14.97737540
  H     16.58388822      9.58135774    -14.82900555
  H     20.84305977     11.15560367    -11.92050906
  O     13.18259761     10.61939022    -13.80555560
  H     16.76762388     10.95467824    -15.52330739
  H     13.25885819      9.85368222    -17.25962765
  O     12.54716222      7.84391027    -13.32191982
  H     20.17225725      3.82611331    -15.27969333
  H     14.22311282      9.05598213    -18.15653673
  O     18.87368139      7.25218217    -11.88621653
  H     19.77452019      4.53156808    -13.96460569
  H     16.21490102     11.00801873    -11.68789522
  O     19.91704794     10.92705309    -11.91842236
  H     16.32304196      8.26866050    -10.35513340
  H     16.12369933     10.71408233    -13.20468352
  O     13.40326825      8.98322388    -17.65336936
  H     17.34181644      9.38762678    -10.05622627
  H     15.07652497     11.60998162    -16.84559041
  O     15.61150154     10.71859524    -12.38151428
  H     18.69071692      7.11248103    -16.48842604
  H     16.07191165     10.81862935    -17.71353402
  O     16.01562071     11.52110329    -17.05454465
  H     19.48267466      6.22087794    -15.52112661
  H     13.33462621      7.68229856    -16.48811799
  O     13.44699724      7.01902791    -15.78669061
  H     16.52051902      4.91655795    -14.07141615
  H     13.89686289      6.25798464    -16.17335462
          69
 Energy    -248.06453573552699     
  O      2.05266018      0.34650708      5.49813094
  H      2.00403435      0.07029888      4.57329500
  H     -1.20457566     -2.03284766      3.19732683
  O      0.52629323      3.38789821      8.08478785
  H      1.45510796      1.10243731      5.58659869
  H     -3.07556688      2.42844903      2.13038302
  O     -0.46581077     -5.07664294      5.31997560
  H      1.33352711      3.78396694      8.40665604
  H     -2.40026478      1.05390023      1.92587741
  O     -2.14896382     -2.76340354      8.60801546
  H      0.28814070      2.70705370      8.73100863
  H     -2.47207226      1.29612431      4.37345774
  O      3.79693531     -3.25557698      6.31690348
  H      0.15653820     -4.80948563      6.01181786
  H     -2.26812746     -0.06401241      5.05191368
  O      1.54787877     -0.42736619      2.86577464
  H     -1.33820111     -4.80668432      5.62723497
  H     -1.65143825     -0.28252077     -0.05597656
  O      2.77078801     -2.81414129      3.84153552
  H     -2.11323918     -1.81273658      8.44405867
  H     -1.54404121     -0.98330327      1.30638717
  O      3.37704601     -0.75804709      7.67960694
  H     -1.32099352     -2.99178793      9.04844504
  H     -0.55201808      2.05699266      2.56227686
  O     -0.29059704      1.29920826      9.77138700
  H      3.47216096     -3.07077555      5.41677527
  H      0.42456891      2.34421447      3.69886959
  O      1.56927940     -0.91065844      9.75660220
  H      4.65041992     -3.66912172      6.21897897
  H      0.61492674     -2.37666538      6.65091672
  O      0.41204646     -3.31876078      9.78089760
  H      1.23780210      0.47748712      2.70942213
  H      0.93287044     -0.94832625      6.08917181
  O     -0.68214328     -2.12225864      2.38569690
  H      0.78900949     -0.99665334      2.68436058
  H      0.78346000     -5.33656079      2.45662964
  O     -2.50025618      1.79335068      2.54973804
  H      2.11403055     -3.44691215      3.52602121
  H      0.22778769     -4.75528258      3.77882312
  O     -2.30622323      0.88699346      5.23231419
  H      2.53099812     -1.96767501      3.44544658
  H     -0.88333601     -0.59534820      7.40597945
  O     -2.00546694     -0.27427137      0.83022439
  H      3.03972742     -0.23904335      6.93615588
  H     -2.03780580      0.37437519      7.08437970
  O      0.38903505      2.08842803      2.76668573
  H      3.63853175     -1.60207553      7.29417021
  H     -2.67689068     -3.60424574      7.16792872
  O      0.22493797     -1.54071718      6.37238284
  H     -0.83804991      1.37982758     10.54894332
  H     -3.76769438     -4.44021790      6.45948533
  O      0.65681951     -4.52193465      2.93524961
  H     -0.81731177      0.82128746      9.10700088
  H      2.19626138     -3.83629919      7.03747865
  O     -1.59683401     -0.07679186      7.81360877
  H      1.07194689     -0.08863828      9.80057621
  H      1.07776731     -3.87041147      8.14727309
  O     -2.93459872     -3.99963041      6.31602484
  H      2.24008806     -0.80800033      9.06397358
  H     -0.71184693      1.86418012      5.53655317
  O      1.26171898     -4.01159375      7.20962815
  H      0.83679262     -2.44082818      9.81177808
  H      0.20848029      2.78366141      6.41015820
  O      0.13446836      2.32914730      5.56038312
  H      0.56050565     -3.72721336     10.62918245
  H     -1.13451030     -1.77387823      5.29547669
  O     -1.96374691     -1.84602944      4.79378596
  H     -0.24966678     -2.98332964      2.43457537
  H     -2.45760925     -2.56514687      5.20384331
          69
 Energy    -248.06426126769651     
  O     15.02008686     11.00669811    -16.32590195
  H     14.27012683     10.84952945    -15.74106305
  H     14.88384222      3.41365029    -16.35041182
  O     14.39622760      6.03204151    -14.51040574
  H     15.10734136     10.21605512    -16.87470063
  H     19.30294518      7.00075678    -13.97274897
  O     18.27817927      8.82952046    -11.53151824
  H     14.22946281      6.09526038    -13.56226318
  H     18.16746217      6.16348092    -13.32165256
  O     18.55777237      5.91854368    -18.68702681
  H     15.10930369      6.66646188    -14.69126245
  H     18.49974593      7.73879859    -18.19946794
  O     15.70226217      6.00242710    -18.62674379
  H     17.91128617      7.93317577    -11.56676228
  H     17.36082835      8.72776960    -17.92487033
  O     15.84198170      9.30194659     -9.97469283
  H     19.07306603      8.80779721    -12.08067467
  H     16.49413804      8.61117864    -14.49120091
  O     14.37053166      6.77752959    -11.83801245
  H     18.51262968      5.43207635    -17.84397212
  H     17.25121997      7.30709559    -14.86581634
  O     16.63463835     10.04310823    -13.37526104
  H     19.18041664      5.45518925    -19.24016468
  H     11.90626999     10.66106304    -14.80712828
  O     18.20725967      4.63399800    -16.33543806
  H     16.65084760      5.93886590    -18.79879317
  H     12.74341012      9.40311328    -15.13209775
  O     14.81023407      6.98831905     -8.99590429
  H     15.51846722      5.35669944    -17.93369808
  H     16.22975213      5.80204649     -9.04377192
  O     19.32332089      9.89847361    -15.65636275
  H     16.72464942      9.29066247    -10.36288721
  H     17.46506046      5.11535247     -8.43556263
  O     15.36291128      4.23893687    -16.35371934
  H     15.23182506      9.54263735    -10.68431071
  H     13.27193977      7.18792574    -15.51449613
  O     18.64522890      6.31743634    -14.15016110
  H     14.25098832      7.71989085    -12.03294568
  H     13.65467522      8.09497238    -16.69433918
  O     18.31848339      8.63690801    -17.89475550
  H     14.35152687      6.69443336    -10.87864005
  H     21.21118927      8.62751293    -13.52990473
  O     16.43397247      7.79946854    -15.01101611
  H     17.31045701      9.75253790    -12.74845360
  H     19.94739654      9.07324385    -14.30364521
  O     12.75075398     10.24756585    -14.64645363
  H     16.97185832     10.77486559    -13.90483607
  H     17.24871579      5.81206352    -10.96001875
  O     17.00300910      5.25749555     -9.25809000
  H     18.43687491      5.14114955    -15.54495851
  H     16.22732050      6.43163245    -11.94381687
  O     12.96205376      7.93530960    -16.04165605
  H     17.26951709      4.41773117    -16.26482858
  H     15.42897290      7.64706538    -18.00935606
  O     20.25996261      8.56579302    -13.53083256
  H     14.15342462      7.18485416     -8.33328778
  H     15.81607286      8.23306022    -16.62352532
  O     17.16957829      6.27083369    -11.80816496
  H     15.20495262      7.83870148     -9.26222741
  H     15.06403680      9.75205890    -12.71285539
  O     15.40960023      8.45717905    -17.47717774
  H     18.74410810     10.66460562    -15.58617801
  H     13.55903946      9.79217585    -12.99672255
  O     14.20190461      9.51475851    -12.33399155
  H     19.05175931      9.43324826    -16.46167994
  H     17.41899286     12.87678572    -15.40461869
  O     17.34273930     11.93455396    -15.28392963
  H     14.95976991      4.79593268    -15.66799645
  H     16.51491981     11.66059628    -15.71966889
          69
 Energy    -248.06411963505207     
  O     -3.07442562      4.21070055      4.75876517
  H     -3.53872939      4.94263527      5.15509563
  H     -1.18693399     -3.67369300      1.53044279
  O     -3.14952755      2.94706513      2.22928558
  H     -2.20362672      4.54609042      4.47462785
  H     -0.32039627     -3.84157253      5.22396338
  O     -1.72687328      1.86577852      5.67681309
  H     -3.30944667      3.42155694      3.05340713
  H     -0.83125430     -3.28050861      3.87635867
  O      2.06825183     -2.17254402      0.33864869
  H     -2.25435942      3.18382947      1.94301960
  H      0.03102958     -0.99340994      2.25577592
  O      0.03790692      0.91440058     -1.79124388
  H     -2.32187587      2.60591386      5.50325810
  H     -1.29399714     -0.16871290      2.43788519
  O     -1.48374253     -1.15799086     -0.66291876
  H     -0.83806433      2.24490822      5.65010237
  H     -3.98614028     -1.43906027      1.25021387
  O     -2.67592388      0.47932743      3.40326378
  H      2.03340291     -2.12829614      1.30479912
  H     -3.51398546     -1.05061094      2.66218840
  O     -4.21361117     -0.61171087     -0.48086115
  H      1.33492109     -2.74186526      0.07927345
  H      1.96163264     -1.03338917      3.51158733
  O     -1.31086551      3.20906460     -1.36163744
  H     -0.49656628      0.15485472     -1.52321960
  H      1.09206930     -2.31281451      3.69337951
  O      2.54597019      0.33949799     -0.55773530
  H      0.92748327      0.74638816     -1.45911542
  H     -0.53628518     -4.24538726     -0.91376824
  O     -0.00544062     -0.40232469      5.60022199
  H     -2.43986398     -1.03108879     -0.69623906
  H     -0.79153352     -2.77663059     -0.50182760
  O     -1.61233473     -3.57661554      2.38806144
  H     -1.19232919     -0.87586106      0.21952861
  H      1.41080932      2.33635348      5.05659207
  O     -0.32371105     -3.05960554      4.67892190
  H     -2.93266711      1.26510494      2.90024137
  H      1.40081848      3.28761212      6.26835665
  O     -0.58368247     -0.39079895      1.82087896
  H     -2.35089849      0.81707220      4.24599869
  H      0.52662860      0.93922571      1.63398920
  O     -3.73358221     -1.80812227      2.10423219
  H     -4.99844994     -0.76273987     -1.00038199
  H      1.82608889      1.30715881      0.89331811
  O      1.60695893     -1.80388465      3.05361692
  H     -4.08558097      0.35340600     -0.44178842
  H      1.24796779      0.39559239      4.66277849
  O     -0.34888870     -3.60106618     -0.23564584
  H     -0.80229848      2.39918441     -1.54953705
  H      1.73149297      1.11372336      3.32941736
  O      0.90962137      3.04765086      5.48566605
  H     -1.25806360      3.75450823     -2.14183269
  H     -0.51396211      4.58272596      2.95138337
  O      1.24851432      1.58889922      1.61276261
  H      3.41913487      0.37095438     -0.93899861
  H      0.02538616      4.31985069      4.37759189
  O      1.99529584      0.83587429      4.21912117
  H      2.39830769     -0.58130334     -0.27503315
  H     -3.70471553      2.39119260      0.56007403
  O     -0.59775865      4.85872749      3.87406123
  H     -0.31080484     -1.29059405      5.37929085
  H     -2.96449531      2.43307753     -0.78614456
  O     -3.72200279      2.03725930     -0.33939479
  H     -0.77271966      0.13708713      5.81651725
  H     -0.80959299      3.63082928      0.38603368
  O     -0.58995034      3.64076925      1.32633654
  H     -2.39319353     -3.01741479      2.25688830
  H      0.11610479      2.98963536      1.44593471
          69
 Energy    -248.06405258459256     
  O     14.97216939     11.76799545    -12.36346375
  H     15.69259357     11.54821430    -11.76233114
  H     14.86261501      8.62987884    -17.00971548
  O     14.18249216      6.67436245    -14.70002803
  H     15.30519298     11.64768609    -13.26343828
  H     16.76514926      6.36498374    -16.30138144
  O     16.60413484      5.94952512    -11.10497635
  H     14.64372275      5.92205381    -14.30795813
  H     17.85526043      6.47572889    -15.22918384
  O     19.18182137      6.70392865    -11.56506932
  H     13.33536707      6.77682937    -14.24775909
  H     18.98095415      9.46784851    -12.65309899
  O     13.67324994     10.14725933    -16.64433617
  H     16.24988308      6.83598097    -10.94759755
  H     19.16234964      8.64279402    -11.39501647
  O     12.29579315      5.91433236     -9.67726545
  H     16.01438459      5.33184515    -10.64758659
  H     15.23119747      7.94650583    -13.96559899
  O     11.88442483      7.11782855    -13.25719487
  H     18.30313946      6.35429474    -11.33897174
  H     15.74286787      9.41939432    -14.00124359
  O     15.57108574      8.50726606    -10.85954499
  H     19.81849420      6.04952133    -11.28995271
  H     11.90445302     11.66041602    -11.73759737
  O     17.66833702      9.53247255    -16.25596389
  H     13.05471916      9.93127764    -15.92325451
  H     13.34762336     11.24021144    -12.10286263
  O     11.59469106      4.62287826    -12.16139967
  H     13.16500638     10.59735307    -17.31403659
  H     14.65301044      3.58181612    -12.98789417
  O     18.46974543      7.86554805    -14.07063479
  H     12.42651655      6.80785153    -10.03344728
  H     14.05564421      2.16274144    -12.86655875
  O     15.42355626      7.85742761    -16.86771356
  H     11.75607147      6.00935274     -8.89588593
  H     11.84521214      8.72693428    -14.23771604
  O     17.28491991      5.84125780    -15.68218236
  H     12.20709088      7.54846574    -12.45431664
  H     12.15256482     10.13983072    -13.72149651
  O     19.02958954      9.55104462    -11.69651779
  H     11.64311608      6.21647664    -12.99894349
  H     16.19298486      5.19941763    -12.77956898
  O     15.82954888      8.57520494    -13.54076955
  H     15.63635858      8.56654185    -11.82841244
  H     16.42883352      5.00384996    -14.31942867
  O     12.43735227     10.91110688    -11.99077064
  H     16.00400933      9.29805427    -10.51990355
  H     13.88040224      4.85686982     -9.84197264
  O     13.96969360      3.05516165    -12.54044939
  H     16.97422426      8.93069675    -16.56169197
  H     14.39428650      3.77095703    -10.80673929
  O     12.06135889      9.62172098    -14.52974996
  H     18.19765302      9.01819312    -15.63599169
  H     13.78635864      8.37003859    -10.80112253
  O     15.86407259      4.75518120    -13.57257944
  H     11.73723660      4.94559820    -11.26265765
  H     12.56996616      9.24624257    -11.16311169
  O     14.66137831      4.33870397    -10.07296771
  H     12.33300905      4.02997060    -12.34805823
  H     17.33088719     11.46833031     -9.79840750
  O     12.82130002      8.35673861    -10.88337492
  H     18.82114708      7.39748602    -13.30346808
  H     17.76357665     10.48889640    -10.91272745
  O     16.99277691     10.90776756    -10.49194047
  H     17.54536250      8.08288918    -13.86461626
  H     15.00290779     10.85273057    -15.54187724
  O     15.74874126     10.99963911    -14.94500858
  H     14.94344037      7.34890413    -16.19652352
  H     16.53225654     10.67436868    -15.41366632
          69
 Energy    -248.06402449582595     
  O      3.95339914      1.28794681     -0.20569282
  H      3.39456597      0.50058846     -0.30523920
  H      0.22407911     -1.97264542     -2.39686523
  O     -1.41519331      1.38860127     -1.91159468
  H      3.89101092      1.75457480     -1.04675333
  H      1.80695960     -2.37815219      2.37058865
  O      0.01994510      0.48151378      0.34234233
  H     -1.19278274      2.33044168     -1.91736728
  H      2.29958586     -0.98503076      2.80745675
  O     -1.41308311     -1.58492200     -1.94809170
  H     -2.21254188      1.31783166     -1.35712266
  H     -4.55283801     -0.67134402      2.50531820
  O     -3.38414036      1.36867271     -0.09371987
  H     -0.43750806      0.84143965     -0.42739135
  H     -3.15172682     -0.02958874      2.66108254
  O      0.22988297      2.21455277      2.40595464
  H      0.84552523      0.08021269      0.04066771
  H     -1.57767515      3.81782661      0.19330123
  O      4.92195459     -0.03421046      2.10211482
  H     -1.57911688     -1.76175798     -1.01232048
  H     -1.24116762      3.24106367      1.57983761
  O      4.23420454      1.92270876      3.86339845
  H     -1.60043766     -0.64975557     -2.08141848
  H      3.30659073      2.89783596      2.46114073
  O      1.84584091      0.41670424      3.90647224
  H     -3.62063412      0.72395244      0.58089641
  H      3.16876152      2.42309267      1.00705504
  O      3.17144996      2.53731509     -2.60130637
  H     -3.02376783      2.13518429      0.37876790
  H     -0.49164792     -2.75900894      1.93642592
  O     -0.77400789      4.08203269     -1.53736439
  H      0.08814358      1.57862489      1.68376845
  H     -0.14002483     -4.11751235      2.58515033
  O      1.17501322     -2.04557670     -2.59485934
  H      1.06243298      2.65962173      2.19691192
  H     -1.43661616     -0.00619120      4.10680679
  O      2.52003210     -1.74007716      2.24174071
  H      4.31194954     -0.77970523      2.13419955
  H     -1.32618288      1.35622892      3.38442900
  O     -3.73900824     -0.50033453      2.04013229
  H      4.77551408      0.39836747      1.24921873
  H      1.23322457     -0.14701189     -3.05370284
  O     -1.97602195      3.49888894      1.01282348
  H      4.59138547      1.22532196      3.28394375
  H      0.22872851      1.00217463     -2.85149234
  O      2.79997599      3.04360943      1.65396858
  H      4.92465882      2.15345782      4.47861966
  H     -0.16676544     -2.00219923      4.06698936
  O      0.12631619     -3.20251835      2.54140503
  H      1.23914810      1.01889004      3.45638574
  H      0.53488906     -0.75054204      4.62177881
  O     -1.95363236      0.68403771      3.66400432
  H      2.65022284      0.92204548      4.07375378
  H      2.39301258     -1.34803105      0.49305453
  O      1.13059576      0.80830434     -3.13271385
  H      2.44987818      1.92248827     -2.82371834
  H      2.02479001     -1.46160105     -1.05065638
  O     -0.27541042     -1.27375000      4.68849027
  H      3.58936437      2.78094447     -3.42293559
  H      2.14758779      3.98792360      0.11597086
  O      2.32543935     -0.87360312     -0.34817788
  H      0.15181980      4.17097330     -1.24932749
  H      2.32904451      3.71356574     -1.39639323
  O      1.80008372      4.20734383     -0.75634343
  H     -0.99722544      4.88316808     -2.00416817
  H     -2.36692375     -1.45038132      1.27768830
  O     -1.53175103     -1.74737478      0.89231373
  H      1.27385616     -2.75554147     -3.22304021
  H     -0.98736076     -0.95280230      0.78062516
          69
 Energy    -248.06390926817787     
  O     -7.81315881     -2.96380119      5.54048639
  H     -7.02852103     -2.42457066      5.37326505
  H     -4.21806506      0.56712966      2.82932358
  O     -9.27071956     -2.30997264      2.13551325
  H     -8.52808102     -2.33738855      5.72170250
  H     -8.27608697      0.55163474      3.44320530
  O     -7.99902699     -4.47536962      3.32827870
  H     -8.71773325     -1.57208658      2.44011017
  H     -7.11666521     -0.50488276      3.61151791
  O     -4.61058977      0.56227564      1.02419323
  H     -8.89072728     -3.12170334      2.49589870
  H     -1.04156850      2.57423984      4.25499050
  O     -4.67820422      5.04383263      2.18987418
  H     -8.14000208     -5.39524738      3.53191510
  H     -2.47942062      3.15067780      4.25819730
  O     -9.51597997      1.01873304     -0.48473300
  H     -7.95063789     -4.00093870      4.18041887
  H     -9.04164490      2.14097962      4.76533888
  O     -9.71641514     -0.96049570      5.85175548
  H     -4.75039742     -0.32194566      0.66545126
  H     -8.56430880      2.87761670      3.48323825
  O     -5.76025563     -1.37932985      4.48468567
  H     -5.46003195      1.01334454      0.90701516
  H    -11.19611485      0.37866632      2.33660143
  O     -3.14199972      2.97988255      1.30896027
  H     -4.48951713      5.83626174      1.69448904
  H    -10.37990662      1.65881934      2.52410019
  O    -11.38018919     -1.14844901      3.44369255
  H     -4.14019700      4.33178876      1.79887971
  H     -5.57146009     -2.86299834      1.62535906
  O     -5.55598342     -1.90893232     -0.02136088
  H    -10.04208624      1.41185496     -1.17534831
  H     -6.33757106     -3.77016384      2.63144134
  O     -4.02652391      0.64393014      3.77517045
  H    -10.04999483      1.05580262      0.32988028
  H     -8.68029101     -0.70644065     -0.52224093
  O     -7.77848676     -0.14746594      3.00380809
  H     -9.26755692     -0.11919802      5.98997990
  H     -8.68480236     -1.92733467      0.41135522
  O     -1.89812706      2.48650011      3.84650306
  H    -10.30056958     -0.85707917      5.09212601
  H     -8.20308316      1.79178936      7.22939396
  O     -9.21181124      2.24330268      3.82075803
  H     -5.59677856     -2.06489255      3.81530864
  H     -7.34277285      1.73476540      5.94920676
  O    -10.86892463      1.15167601      1.86140588
  H     -5.03684894     -0.74663606      4.40630433
  H     -4.08554220      4.65873255      3.98155805
  O     -5.53785819     -3.24360846      2.51116810
  H     -2.57123790      2.78845834      2.06393480
  H     -4.51659880      3.66583033      5.07488529
  O     -8.23583915     -1.54543985     -0.35504201
  H     -3.55342355      2.14055795      1.06616206
  H     -6.31192946      2.76509114      4.23245487
  O     -8.21592388      1.51627167      6.31581489
  H    -10.71037831     -1.65806205      2.95641483
  H     -5.27950751      1.67995164      4.62263856
  O     -3.78161017      4.22181778      4.78774181
  H    -12.13688089     -1.72014283      3.54911092
  H     -7.90234294      1.49141669      0.31122916
  O     -5.91992582      2.30529805      4.98907528
  H     -5.22774765     -2.36598236     -0.79199800
  H     -7.34537876      0.87075782      1.61134161
  O     -7.17115974      1.54807449      0.93682678
  H     -6.50440064     -1.75355909     -0.17620811
  H     -7.04979092      2.95433806      2.03770243
  O     -7.01208891      3.60053915      2.75962457
  H     -3.20440983      1.14095545      3.85556481
  H     -6.29885359      4.21387516      2.54567138
          69
 Energy    -248.06381931772628     
  O     -5.56762110      0.80757351      1.31453288
  H     -4.89270971      1.49254298      1.21946337
  H      1.92755631      1.64253688      1.39685461
  O     -4.88208917      0.04880776      3.94053599
  H     -5.53153576      0.52713912      2.23756507
  H     -1.00746726      4.77130440      0.09194448
  O      0.42130374     -1.62259135      0.35106259
  H     -5.30816572      0.08665091      4.79229137
  H     -2.45182362      4.27561094      0.31797793
  O     -2.00499633     -1.09486938     -0.96318546
  H     -4.22152300      0.76524032      3.92215584
  H     -2.71017893      2.17742726      0.76515175
  O     -4.57197086     -1.15619863     -4.21700751
  H      0.10760584     -1.80877682      1.24431440
  H     -3.90615906      2.72295591     -0.02112538
  O     -4.56256847     -1.49229012      0.06750881
  H     -0.37003358     -1.59044733     -0.20347248
  H      1.26079163      1.70162160     -1.02153944
  O     -2.79521936      0.56445223     -3.03400288
  H     -2.18535415     -0.60432922     -1.77745630
  H      0.78856265      3.16870433     -0.80838290
  O     -4.38123349      2.42235999     -1.70033716
  H     -2.86598205     -1.33024009     -0.59179976
  H      1.08749349      3.73248394      1.17521458
  O      2.18809513      0.40268132     -0.05398086
  H     -4.32110497     -1.36016703     -5.11382415
  H      1.40238199      5.17260055      0.71339400
  O     -1.03988272      2.57265994     -3.59287708
  H     -3.89693875     -0.54369611     -3.88124447
  H     -5.71987327     -1.45394462     -2.93146029
  O     -0.70076367     -1.96454543      2.96041022
  H     -4.89113595     -0.67954057      0.47798066
  H     -6.98357128     -2.17848043     -2.41214227
  O      1.61896542      2.30264311      2.03035425
  H     -5.15291192     -1.66692483     -0.67505596
  H     -0.78992330      0.97156506      2.03684333
  O     -1.91366267      4.86214500     -0.22598808
  H     -3.38486402      1.12729485     -2.51227330
  H     -0.54696575     -0.10065201      3.11902080
  O     -3.51170924      2.71765778      0.86514938
  H     -2.10358953      1.15472844     -3.36506184
  H     -3.79667687     -1.99923219      1.72729749
  O      0.64452699      2.37507462     -1.34044756
  H     -4.20367860      3.21441080     -2.21934634
  H     -3.90241494     -1.36324765      3.12759167
  O      0.80636449      4.44186485      0.56996891
  H     -5.31218596      2.15993051     -1.73579617
  H     -1.55355156      0.39881823     -0.05913759
  O     -6.30348427     -1.55908281     -2.16007583
  H      1.56690195     -0.33273483      0.09339910
  H     -0.69683622      1.68086956     -0.25811515
  O     -0.58078613      0.85302720      2.97749716
  H      3.02330135      0.00822074     -0.29079597
  H     -6.72090747      0.26725503     -1.63600426
  O     -3.38283929     -1.98144946      2.59895031
  H     -0.38770053      2.53704797     -2.87944851
  H     -6.57676536      1.06686858     -0.33274614
  O     -1.31190663      1.24391231      0.34276091
  H     -1.62087708      3.31623841     -3.39205006
  H     -3.24019385      2.48201027      2.80712209
  O     -6.77257469      1.16052866     -1.27463663
  H     -1.66438605     -2.01233468      2.82502835
  H     -2.15567883      1.66219352      3.53885572
  O     -3.05026402      2.01974760      3.63134645
  H     -0.47727169     -2.65644993      3.57712449
  H     -3.06383802      5.48360641     -3.14476561
  O     -2.93657629      4.62383568     -2.75248569
  H      0.94161768      1.85728772      2.55670399
  H     -2.54310632      4.77440370     -1.87450812
          69
 Energy    -248.06380644929646     
  O     17.88222393      9.74380691    -10.46201053
  H     18.65842800      9.17500190    -10.39703096
  H     12.51247083      9.18256809     -9.35975965
  O     17.89948155     11.85124306     -8.75157854
  H     17.99982176     10.53259230     -9.91323871
  H     20.07042428      4.44089602    -11.28629545
  O     12.43261496      6.73679729    -11.27808317
  H     18.28103528     11.46980155     -7.94969728
  H     19.02976228      5.33550223    -12.00204661
  O     16.92201248      9.37778974    -12.97627310
  H     16.96355619     11.99348166     -8.56269029
  H     15.22110880      6.89276930     -9.98924312
  O     19.95893474      7.86874332    -10.69134820
  H     13.24618226      6.33163502    -10.94754903
  H     15.68227230      5.41389833    -10.01772669
  O     19.62182144      8.16221413     -7.85270650
  H     12.11235732      7.30322061    -10.56624721
  H     19.99404419      9.11555475    -14.10201139
  O     17.19820351      4.73034387     -9.42353458
  H     17.20518497      9.60219869    -12.07470624
  H     18.63347730      8.96575729    -13.38668905
  O     13.17310881      7.74566446    -13.66830513
  H     16.51242472      8.50160616    -12.93307809
  H     15.65794019     10.78351316     -6.72193005
  O     15.08754270     11.96742189     -8.13454751
  H     19.99423226      8.16686216    -11.60922522
  H     16.99752440     10.26735867     -6.15693617
  O     14.18876171     10.21947720    -12.62890531
  H     19.79099640      6.91768282    -10.73958720
  H     15.94516398      8.18230640     -8.38332424
  O     13.87028491     10.22157535     -9.90512102
  H     19.15259781      7.35753045     -7.59715281
  H     16.60051159      8.84707500     -9.65063809
  O     11.88682113      8.49071428     -9.08833621
  H     19.89152728      8.04824481     -8.77056126
  H     19.14789228      9.60217603     -6.99065435
  O     19.42232096      5.12436474    -11.13574720
  H     17.95787311      4.80061887    -10.01468985
  H     19.53482628     10.61944549     -5.89366248
  O     14.96441940      6.00576836    -10.28943075
  H     17.49276648      5.08731351     -8.57655198
  H     12.89341269      7.19260104     -8.08900841
  O     19.52889336      8.59329565    -13.45334159
  H     12.81004042      7.38201299    -12.83995238
  H     13.89081161      6.10301560     -8.50353469
  O     16.03945654     10.15053291     -6.10279961
  H     12.55661734      7.52657594    -14.36139756
  H     15.51451678      6.46716536    -12.04235187
  O     15.80839708      8.40987622     -9.31063318
  H     14.58703429     12.77217339     -8.02199540
  H     14.88646476      7.07078330    -13.31974090
  O     18.84822467     10.39847861     -6.51742068
  H     14.60518421     11.42988103     -8.78300921
  H     18.23116726      5.44627189     -6.21233773
  O     13.51775945      6.54713703     -7.73455548
  H     13.75997020      9.46232566    -13.04683233
  H     17.25594567      6.49125745     -6.80346980
  O     15.72750551      6.82426944    -12.91370192
  H     15.12542151     10.13473408    -12.84465368
  H     15.81991752      8.40988227     -6.32468812
  O     18.04978847      5.95999694     -6.99554395
  H     14.54310587      9.56054295     -9.67476975
  H     14.97284713      7.18053795     -6.85944709
  O     15.86279195      7.49691040     -6.64660374
  H     13.90795003     10.32662341    -10.86723107
  H     17.41469087      6.17793635    -13.38785276
  O     18.35575968      5.97043891    -13.46787966
  H     11.09355625      8.93334843     -8.79736785
  H     18.80573447      6.81078913    -13.61847700
          69
 Energy    -248.06373343668298     
  O     11.43681159     10.26872031    -10.05195025
  H     10.89421861     10.14402629     -9.27762722
  H     14.48602921     11.45614675     -9.51047601
  O     14.49351451     10.35079056    -13.06568276
  H     12.34537567     10.41987958     -9.73531935
  H      8.79522975     11.69144624    -16.74635356
  O     17.04767729     13.18301702    -14.54004394
  H     14.43082546      9.58187249    -12.48667044
  H     10.27676928     12.11759164    -16.62237810
  O     16.18399649      7.66881742    -13.92007184
  H     15.41562023     10.42085151    -13.34839656
  H     13.62739213     14.47237049    -15.18618540
  O     11.17203159     12.07468569    -12.18988923
  H     16.15951696     13.54179017    -14.68466133
  H     14.29835720     13.13593137    -15.59335109
  O     11.95440552     15.18594398    -15.54876866
  H     17.61801315     13.64752865    -15.14938339
  H     14.94077230     12.94479003    -11.09301866
  O     14.11834066     11.71105510    -16.67100971
  H     15.78921951      7.61149301    -14.79996114
  H     15.80857575     13.65553466    -10.03019827
  O     15.86666192      8.60353269     -9.60135416
  H     16.71102093      8.47430034    -13.92021237
  H     16.83454713     10.29358261    -15.75491739
  O     13.81483695     12.88397184    -12.47863046
  H     11.16072489     11.52176413    -11.39875687
  H     16.03992002      9.37361664    -16.69634278
  O     13.04361926      9.57512865    -15.26389440
  H     12.06574641     12.44035499    -12.25413371
  H     16.78355055     11.39476056    -10.82783652
  O     17.16884654     10.52405323    -13.80599617
  H     11.65508389     16.08332080    -15.66700762
  H     16.92472483      9.88964651    -10.54863124
  O     13.98208633     10.68004923     -9.23861804
  H     11.28911492     14.73894212    -14.99483813
  H     10.11742748     10.55229940    -14.82568956
  O      9.52008183     11.75229676    -16.12994360
  H     15.00305515     11.34770869    -16.81347066
  H     10.80521411     10.77553298    -13.46187703
  O     14.38301733     13.90074612    -15.00268255
  H     13.62972378     11.00864605    -16.21913321
  H     14.12204036      8.40054002    -16.06485873
  O     15.53947554     12.79532548    -10.34258519
  H     16.18597955      7.85700356     -9.10201249
  H     14.48321139      7.25549384    -17.04095380
  O     16.46376254     10.23995870    -16.64292258
  H     15.35876518      8.24486155    -10.35168821
  H     11.76860382     13.77542152    -16.86812847
  O     17.28071126     10.60829267    -11.08487472
  H     13.98813776     13.34921454    -13.30642304
  H     12.53069879     12.50642212    -17.28955224
  O     10.60116735     10.09877719    -14.12376839
  H     14.01698304     11.94804412    -12.64931289
  H     11.61650156      8.90699071    -11.37838821
  O     14.85801787      7.87049603    -16.41604384
  H     13.57605328      9.81782743    -14.49081507
  H     11.29625523      8.71859783    -12.86684259
  O     11.66393177     12.93169582    -17.32459773
  H     12.12479944      9.68119884    -14.98895700
  H      9.75018103     13.12267457    -14.78713990
  O     11.77337301      8.32094045    -12.13060360
  H     17.19878887     11.45980187    -14.06039218
  H     10.36710509     13.26443084    -13.38244559
  O     10.10044804     13.76918833    -14.16213707
  H     17.36039142     10.49714299    -12.85403994
  H     14.98342940      7.63240271    -12.55511121
  O     14.45823310      7.85160596    -11.77075565
  H     14.61062380      9.94722669     -9.23653143
  H     13.51178516      7.83381440    -11.97477664
          69
 Energy    -248.06331624318801     
  O     12.26376479      9.30037800    -10.65642293
  H     12.39872731      8.49805033    -10.13861904
  H     15.22874792      7.02403996    -15.63832516
  O     13.66151353      4.27136028    -15.32642287
  H     13.07396020      9.81600585    -10.57645210
  H     14.76282001      4.16970747    -12.44577493
  O     14.76402835     11.86521284    -13.19200583
  H     13.29440681      3.50715733    -15.76188542
  H     16.06811836      4.11844339    -13.26958628
  O     15.00130509      8.45837758     -8.53922796
  H     14.19417810      3.94515426    -14.57852242
  H     13.66704332      7.40058278     -8.85319739
  O     17.64439418     10.39010144    -10.22595559
  H     13.98190251     11.52169667    -13.64133933
  H     12.37892830      6.66379074     -8.40870653
  O     11.27202568      8.85207963    -13.17212519
  H     14.72603638     11.54543387    -12.28383071
  H     20.29601234      7.40634414    -14.49310235
  O     17.16971247     11.86919292    -14.44345593
  H     14.93863610      9.21156299     -9.13806976
  H     18.93727563      7.61997987    -15.20391228
  O     14.93907627     10.39432327    -10.70504075
  H     15.92572000      8.18331635     -8.56948942
  H     12.04789643     10.06191600    -14.10389567
  O     16.55446697      6.29313271    -11.16784428
  H     17.76720146      9.54656019     -9.77311892
  H     12.04924438     11.11466144    -15.24198758
  O     17.99218218      7.66199901    -16.63632617
  H     17.99830157     10.25564397    -11.11525055
  H     12.89107639      5.71341324    -14.35617688
  O     17.39924993      5.58270883    -13.68552219
  H     11.53730465      7.94310352    -13.34915042
  H     13.29604965      7.19134295    -14.18283636
  O     15.68246362      6.19300443    -15.83501131
  H     11.53253583      9.03396903    -12.25522779
  H     14.89867794      8.58677609    -14.10189263
  O     15.20545298      3.70077026    -13.16625787
  H     17.47124649     12.76572314    -14.56436539
  H     13.77101592      9.26784504    -14.94476551
  O     12.89867479      6.89454498     -9.17435566
  H     16.30671451     11.92111028    -13.99436722
  H     13.47600152      5.92070207    -12.17284520
  O     19.36995569      7.56695974    -14.33115228
  H     15.84255343     10.61474622    -10.42903400
  H     13.49123578      5.91380421    -10.61822170
  O     12.61790855     10.64783624    -14.63574412
  H     15.05912887      9.70897055    -11.38136292
  H     18.33205683      7.21244301     -8.66171235
  O     12.77071413      6.48388472    -13.78707477
  H     15.64020593      5.97563260    -11.13799039
  H     17.33644316      7.16864491     -9.84476670
  O     14.40733137      8.54070569    -14.93977000
  H     16.93906450      5.98779591    -12.00225463
  H     15.96041090      7.76248876    -12.10308030
  O     13.91906089      5.54225651    -11.40032852
  H     17.27505500      7.01899139    -16.58356142
  H     16.62195116      9.00897733    -12.73647739
  O     17.66927229      7.72379548     -9.11863376
  H     17.55789804      8.52691943    -16.69114942
  H     18.01774136     10.49119181    -13.53146520
  O     15.77235003      8.56203824    -12.60768981
  H     16.79371287      5.78595148    -14.41324997
  H     18.70071645      9.07781912    -13.43628577
  O     18.23553860      9.76054663    -12.93673510
  H     18.16963582      6.14571290    -13.82822337
  H     16.73918741     10.67941216    -15.84678443
  O     16.47494797      9.95971197    -16.43274435
  H     15.00475557      5.50673750    -15.84343258
  H     15.71439546      9.54655668    -16.00926265
          69
 Energy    -248.06310942182566     
  O     17.01193222      4.50929833     -9.03293052
  H     16.47346376      5.13615760     -8.53776612
  H     12.97629394      5.40617724    -15.63579133
  O     17.35244635      9.71336997    -11.29730996
  H     16.38123871      3.92976632     -9.48426848
  H     15.87908549      5.95959292    -12.18776812
  O     12.77981980      6.73239059    -12.71601390
  H     16.83726313      9.13787877    -10.71004710
  H     15.11254135      5.05674761    -11.18325507
  O     13.19985825      6.39298676    -17.18958556
  H     17.27977739     10.59165843    -10.93088416
  H     18.14550951      4.74552016    -10.39097467
  O     15.65289986      8.04186478     -9.86707287
  H     13.58704400      6.41602855    -12.27784316
  H     19.59571413      4.76236210    -10.89790454
  O     12.65118268      2.76549183    -13.09329492
  H     12.18434254      7.02646266    -12.01799729
  H     12.15833250      8.50609696    -10.51896738
  O     16.03530015      5.83049059    -17.06964136
  H     13.39852411      7.30437463    -16.90801638
  H     10.65402189      8.22057787    -10.29199564
  O     15.12216192      6.29354678     -7.74590860
  H     12.64051401      6.45867467    -17.95880413
  H     12.56361351      4.89402959     -9.49371103
  O     13.97038058      8.85360801    -16.37155308
  H     15.57106033      7.62723470     -9.00079656
  H     12.30041122      6.41459943     -9.44218124
  O     16.80239586      8.54931825    -16.47337037
  H     15.48166025      7.32715855    -10.49844508
  H     15.01597727      8.88660428    -13.58897877
  O     16.84886065      8.55377649    -13.73955792
  H     13.52590619      2.36770938    -13.17456976
  H     13.61001374      8.26177816    -13.33667711
  O     13.01557848      4.96059202    -14.78074173
  H     12.63004775      3.47853508    -13.74624458
  H     13.68839529      9.63395981    -11.75342464
  O     15.12003525      5.93122741    -11.59028913
  H     15.09496314      5.95956089    -17.24721211
  H     14.24916467      9.15473928    -10.39958928
  O     18.69024663      4.81321876    -11.19268680
  H     16.39145146      6.71313954    -16.91070256
  H     12.32835455      3.13213039    -11.41330089
  O     11.49447900      7.79668979    -10.44197917
  H     14.96158068      6.31187054     -6.80632871
  H     11.69367876      2.62090022    -10.10192373
  O     12.77828760      5.69799161     -9.00643844
  H     14.27708446      6.05437614     -8.16770050
  H     17.86375184      5.47458804    -12.60768387
  O     14.06963841      9.08470989    -13.55661131
  H     14.92279243      8.86115475    -16.53142597
  H     16.88520702      5.24534684    -13.83405659
  O     13.49001803      9.59171120    -10.80883120
  H     13.86532980      9.06157733    -15.43394643
  H     14.16873855      3.16457732    -10.46781951
  O     12.30300955      3.26762451    -10.44934590
  H     16.88151152      8.60881059    -15.50583802
  H     15.30476929      2.80955034    -11.46881618
  O     17.30317709      5.90819113    -13.26942063
  H     17.51561042      9.06709196    -16.83787586
  H     15.95961085      1.33621707    -13.47758862
  O     15.11332491      3.26586889    -10.63931213
  H     17.11723318      9.03794755    -12.94653048
  H     15.64800858      2.80715732    -13.83151685
  O     15.46001682      2.09765560    -13.19399042
  H     17.07945706      7.62320689    -13.59676591
  H     14.78971964      4.48673263    -14.74550402
  O     15.72154641      4.25108166    -14.86340567
  H     12.83987662      5.62587689    -14.09820216
  H     15.98644861      4.68226927    -15.68921716
          69
 Ord_Energy   -248.062943    
 O    6.74766970       2.02840853       6.35236073    
 H    7.06755304       1.78945947       7.23044205    
 H    6.73958015       1.20684540       5.84247255    
 O   0.246140406      -2.15890074       9.82533455    
 H  -0.594364107      -2.17187858       10.2767181    
 H   0.423933595      -1.23067629       9.58768654    
 O   0.434643060      -2.65934086       6.99220896    
 H   0.318551362      -2.63248682       7.94915438    
 H   0.166711643      -1.79187334       6.65809917    
 O    1.69842541       2.74713612       11.7558556    
 H    1.44677019       3.04407454       12.6278591    
 H    2.17803764       1.91301644       11.8745356    
 O    6.35370463E-02   5.78874685E-02   6.37506104    
 H   0.392556965      0.134455726       7.28295708    
 H   0.734194279      0.465867400       5.81013441    
 O    6.79687834      -1.40569139       7.73434973    
 H    6.74449921      -1.15813279       6.80187750    
 H    7.09310675     -0.615074575       8.20092869    
 O    2.01206326       1.46412444       4.91086626    
 H    2.78597569       1.73800194       5.42786741    
 H    1.48995042       2.26847696       4.81175566    
 O    3.29339290      0.439331263       12.1548529    
 H    3.12828064     -0.387257099       11.6662722    
 H    3.55977082      0.175890625       13.0327921    
 O   0.312883943       2.99451375       9.28520203    
 H   0.988634765       3.40099931       8.72021484    
 H   0.656559408       3.00612783       10.1864128    
 O    3.68924141       3.97257304       10.0577126    
 H    3.25751352       4.19303083       9.22328758    
 H    2.98354936       3.72387218       10.6667919    
 O    2.23457503       4.08526897       7.57787418    
 H    1.67102635       4.24336433       6.81149817    
 H    2.93779802       3.50158262       7.25172281    
 O    3.81043172     -0.785712898       4.69829082    
 H    3.12194586     -0.115339711       4.62979650    
 H    3.43759227      -1.53881633       5.17290211    
 O    7.45061874       1.09052551       8.99354935    
 H    8.23202801       1.34791040       9.47718620    
 H    6.69049931       1.32876718       9.54845524    
 O    4.34008026      -2.28927255       8.49147320    
 H    5.26298952      -2.09556484       8.26243019    
 H    3.90998387      -2.64922285       7.70593643    
 O    6.48000479     -0.485721111       5.06171703    
 H    5.52186775     -0.565866649       4.90848255    
 H    6.90840912     -0.770303369       4.25877666    
 O    2.89617610      -1.90879774       10.8666992    
 H    1.99984777      -2.14979243       10.6048546    
 H    3.46273208      -2.14483213       10.1189060    
 O    4.03513432       2.28371906       6.58450413    
 H    4.98791790       2.33551383       6.43329811    
 H    3.88963461       1.54740047       7.19694757    
 O   0.519390464       3.91418672       5.28163147    
 H    8.83030295E-02   4.53155994       4.69672346    
 H  -0.182190657       3.48618627       5.80367756    
 O    5.16506290       1.70103097       10.4127550    
 H    4.76254988       2.57146597       10.2602825    
 H    4.65773106       1.26852310       11.1095123    
 O   0.946415246      0.328984857       9.00354671    
 H   0.666195571       1.24310875       9.13368130    
 H    1.90421629      0.335902780       8.85763073    
 O   -1.21392250       2.55992436       6.89080715    
 H  -0.976127744       1.64530849       6.68704796    
 H  -0.902057767       2.72803664       7.78897619    
 O    2.96337485      -3.08729506       6.16325569    
 H    2.03707623      -2.97850466       6.44240952    
 H    3.01843667      -3.92964959       5.71897125    
 O    3.62844014      0.378207654       8.48872471    
 H    4.18766785      0.812747180       9.14488888    
 H    3.90498710     -0.545837641       8.42900085    
          69
 Energy    -248.06290752671595     
  O     -8.38422166     -1.47781897      6.35839987
  H     -7.65277630     -0.85162612      6.33642531
  H     -2.96889480      1.01903419      2.29023911
  O    -10.25848144     -2.39759919      2.59096493
  H     -9.17574109     -0.95044582      6.52443913
  H     -7.24911525     -0.65123084      3.21933056
  O     -8.48851322     -3.49411073      4.53749443
  H    -10.47759104     -1.54790574      2.99535814
  H     -7.63848856      0.74907876      2.62901872
  O     -5.52415662      0.45978097      0.44190765
  H     -9.73530655     -2.87074530      3.24921460
  H     -0.74627630      2.21501510      1.62674441
  O     -6.40745856      0.63383160      5.77844269
  H     -8.51838037     -4.32757585      4.99967775
  H     -2.00987289      2.94419529      2.14671769
  O     -4.60309553      5.02167885      0.89759937
  H     -8.46015965     -2.79804530      5.21871796
  H     -8.15599838      3.96146987      3.61384184
  O    -10.56078674      0.34930894      6.59284262
  H     -5.78690144     -0.45582660      0.29264619
  H     -9.52381063      3.29166939      3.41916910
  O     -4.51010755     -1.07828498      4.77752015
  H     -6.33767212      0.96292593      0.59458635
  H    -11.30179406      2.46207421      1.71212327
  O     -3.84781959      2.66506815     -0.23604788
  H     -6.92791996      0.58984368      4.95864195
  H    -10.55974726      1.46988974      2.63742208
  O    -10.42850449      0.13332013      3.80375776
  H     -5.65634901      0.03793200      5.63198184
  H     -7.11103672     -2.83690415      3.46833915
  O     -6.45390031     -2.22150965      0.25662799
  H     -4.53179841      5.73763436      0.27237660
  H     -6.40740218     -2.41144804      2.12687349
  O     -3.76992012      0.60598152      2.63534351
  H     -4.37253654      4.20465529      0.41977117
  H     -9.56557147     -2.21729525      0.99404526
  O     -7.70829831      0.17900320      3.40369722
  H     -9.92434477      1.08967150      6.59928277
  H     -9.84466963     -1.87392875     -0.48009337
  O     -1.69870674      2.20023617      1.59970422
  H    -11.17837691      0.50860686      7.30039886
  H     -7.80732504      1.82569427      6.38922329
  O     -8.95280815      3.68741648      4.08598160
  H     -4.07139324     -0.54401903      4.10191775
  H     -8.76388310      2.80825333      5.65781243
  O    -10.43593274      2.21773525      2.02834089
  H     -5.10327514     -1.65130858      4.27306000
  H     -3.42594183      4.63073474      2.38028392
  O     -6.42448412     -2.27746251      3.08183031
  H     -3.03172022      2.45699764      0.23659233
  H     -3.49725603      3.76368686      3.65290200
  O     -9.14153348     -2.07841563      0.13004284
  H     -4.41123017      1.88535229     -0.15257310
  H     -5.34544512      2.08758307      4.96714510
  O     -8.67348170      2.24521003      6.44174696
  H     -9.45974013      0.10552318      3.73377260
  H     -4.50595494      1.87801311      3.69297274
  O     -2.88015178      4.18402035      3.04005124
  H    -10.63274579      0.20184286      4.74399267
  H     -7.33985580      2.68636597      1.63632809
  O     -4.88603824      2.56105270      4.26672734
  H     -7.42193560     -2.16355051      0.16161749
  H     -8.69931577      2.01686594      1.29856465
  O     -7.74388414      1.91402642      1.21128489
  H     -6.15495614     -2.88906606     -0.35541627
  H     -6.00070337      3.51682586      3.22659836
  O     -6.56824547      3.98515075      2.59602655
  H     -4.37721413      0.49675920      1.89093928
  H     -5.98208247      4.47143155      2.00388518
          69
 Energy    -248.06283729915401     
  O     15.67644993     10.01739301    -14.73459087
  H     14.75044263      9.78958511    -14.59288774
  H     20.04401493      6.48360734    -15.14626447
  O     13.90548665      4.25865079    -16.33745062
  H     15.79287974     10.00932892    -15.69834774
  H     17.35954531      7.47337293    -16.61878403
  O     18.02854877      6.37165228    -11.93010525
  H     13.97743757      4.16410020    -15.37890735
  H     18.85770379      7.27312499    -16.95029338
  O     16.39265254      6.35563633    -19.04504143
  H     13.60791794      5.16678609    -16.48234270
  H     15.28760711      6.72291810    -15.93832552
  O     13.74960915      5.66420763    -10.18719123
  H     18.80233872      6.71831669    -12.39177939
  H     16.11647719      7.03399171    -14.66376203
  O     14.16281053      4.37100207    -13.51752325
  H     17.72149998      5.58704698    -12.41138687
  H     12.16713013      9.38704492    -14.32292527
  O     15.95168871      7.84173462    -13.02264598
  H     17.12723245      6.75231940    -18.56310187
  H     13.00562717      8.21106903    -13.77604040
  O     17.70615535      4.39992305    -15.86517201
  H     16.30437974      5.44835329    -18.72725607
  H     16.52527708      3.88976071    -10.17883904
  O     13.72220989      2.93762755    -11.12710624
  H     14.68012666      5.75277844     -9.94700393
  H     16.73510153      3.28350538    -11.57390122
  O     18.50344607      9.41215687    -14.81643559
  H     13.62034368      4.72985737    -10.39182158
  H     13.27831323      7.71330184    -15.92447727
  O     15.98827613      3.72192579    -17.99014985
  H     13.85446115      5.25811422    -13.28978756
  H     13.70948157      7.45816826    -17.40443725
  O     19.92996205      6.13616454    -16.03790507
  H     13.90164073      3.79532234    -12.78718408
  H     19.49108742      8.28233776    -13.90309398
  O     18.08148207      7.80548212    -17.17926529
  H     16.76378456      7.53323554    -12.60422590
  H     20.85462735      7.93862602    -13.26112382
  O     16.17117979      6.66712735    -15.55369081
  H     16.09161994      8.68352233    -13.47505132
  H     17.33249804      4.05133000    -14.10423625
  O     12.96239432      8.88298622    -14.47849362
  H     17.29168191      3.96725642    -16.62005405
  H     15.99773501      4.27702384    -13.35273039
  O     16.39998932      3.08016710    -10.68947757
  H     17.16232536      5.18996982    -15.70800650
  H     17.15722495      6.04187883    -10.37783743
  O     13.56791538      7.03541630    -16.54686615
  H     13.31797260      2.12627855    -10.83279837
  H     17.01117753      6.08715276     -8.84240355
  O     20.00414293      7.56805850    -13.48507616
  H     14.67219006      2.87203798    -10.92207074
  H     15.05547511      7.46310456    -19.10631893
  O     16.95143922      4.16903244    -13.22488719
  H     18.47391316      9.00113645    -15.68970110
  H     13.96827781      8.26172588    -19.86763402
  O     16.60648895      5.74399710     -9.63579289
  H     17.64952384      9.84552888    -14.71132935
  H     13.38841957      6.59021634    -11.69696829
  O     14.33932853      8.11653370    -19.00181585
  H     15.21809171      3.86380637    -17.40968463
  H     14.35785389      7.28864380    -12.67960296
  O     13.44836372      6.95732203    -12.59028808
  H     15.79901659      2.94784514    -18.51345683
  H     15.41879124      9.37290211    -18.02192811
  O     16.07805229      9.79580499    -17.45916826
  H     19.30209366      5.40337187    -15.96599838
  H     16.87516818      9.25974867    -17.55666541
          69
 Energy    -248.06261858886552     
  O     19.09421129      8.50850908     -7.59763965
  H     19.46734301      7.66776014     -7.30419089
  H     16.08671859      8.27333598     -8.20632476
  O     19.12345279      5.04057885    -10.98689408
  H     19.82356059      9.09256212     -7.84053137
  H     20.31296865     10.68527727     -9.28579720
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  H     18.35871963      4.78231175    -11.52239236
  H     21.49517358     10.97935196     -8.33177572
  O     21.81571864      8.41752196    -13.06843052
  H     19.03137875      5.99213636    -10.80995594
  H     16.28682144      9.68675455    -11.76110518
  O     16.79576074      4.64991404    -12.38569041
  H     17.12001323      7.47284594    -13.76750413
  H     17.44749987      9.26245611    -12.65482102
  O     19.26086776      9.49708502    -12.43268237
  H     17.26966268      5.94160484    -13.70667068
  H     19.39345020      6.49032127    -13.77231558
  O     21.44796398      5.44355125     -9.31408299
  H     22.42768111      8.53375060    -13.78951156
  H     20.07733403      5.66105285    -12.67773662
  O     15.72508879      2.93272682     -8.84307556
  H     21.31783867      7.59714663    -13.24833541
  H     13.84284671      4.02996453    -11.29870366
  O     21.87089387      8.04736281    -10.28738815
  H     16.30255781      5.38986799    -11.99618968
  H     13.92813703      5.56949515    -11.24635439
  O     19.10205372      7.69392781    -10.31964438
  H     16.27533885      3.85644022    -12.21582479
  H     14.94672172      5.99272684     -8.34173250
  O     20.06676351      5.90285229     -7.02350441
  H     20.11717686      9.27108236    -12.81004289
  H     16.49222919      5.93507582     -8.47602825
  O     16.44865905      9.16615238     -8.12690136
  H     19.09632165      8.84243598    -11.73380864
  H     15.75219140      7.57878922    -11.70015648
  O     21.01638249     10.27040954     -8.75290737
  H     21.77908113      6.28443633     -9.65947195
  H     15.55558470      6.78868956    -10.36408862
  O     16.52397235      9.05588153    -12.45448982
  H     20.80726207      5.11701166     -9.95743768
  H     18.09081543     11.25905937    -10.19262405
  O     20.26157244      6.25971697    -13.40651253
  H     16.51858355      3.43469704     -8.61878589
  H     19.19855290     10.81903387    -11.15003316
  O     13.37377977      4.81757936    -10.99615542
  H     14.98040963      3.44946982     -8.50991881
  H     18.56032053      5.06724168     -7.83360428
  O     15.72706624      6.52114161     -8.55166503
  H     21.99087135      8.26148065    -11.22282488
  H     18.31082999      4.73352761     -9.32078056
  O     15.40301297      6.76330003    -11.31837188
  H     21.74140790      8.87036590     -9.79770378
  H     13.38450074      4.77192818     -9.24651398
  O     19.04733656     11.27703630    -10.31104361
  H     18.81721383      7.98282439     -9.44577726
  H     12.73105763      4.70833385     -7.84303320
  O     17.89180111      4.74620822     -8.45010551
  H     20.07013945      7.74974427    -10.30718910
  H     16.24995886     10.23412830     -9.45731047
  O     13.57167248      4.74337047     -8.29042082
  H     20.63299324      5.71664033     -7.79406432
  H     15.52360389     11.45804809    -10.06339904
  O     16.20993966     10.81893335    -10.23601838
  H     20.51178204      5.54498482     -6.25967306
  H     15.38007238      2.62813921    -10.53910565
  O     15.13219390      2.58584763    -11.48011886
  H     17.34545668      9.04992377     -7.78631839
  H     14.97221540      1.66841809    -11.68338942
          69
 Energy    -248.06230971505965     
  O     11.37255342     13.23830608     -8.61116987
  H     11.21125859     13.81868931     -7.87249303
  H     16.06731202     12.94162220    -14.69721155
  O     11.36717399     10.38866447    -16.20730806
  H     11.99655474     12.55577607     -8.30330229
  H     17.12568858      8.22533359    -12.93450917
  O      9.70875626     11.11150098     -9.69090316
  H     12.00286446     11.09273168    -16.42892347
  H     16.06293147      9.34841717    -13.02227380
  O     12.06457664      9.66932159    -13.57981000
  H     11.14613468      9.95069224    -17.02476080
  H     13.44120118      8.28670482    -10.88182308
  O     15.87515373     10.86602312     -8.29304004
  H     10.20244645     10.35434651     -9.35159248
  H     12.38904732      8.58673557    -11.99433480
  O     13.03107949     12.49210974    -16.67312490
  H     10.11526635     11.88578177     -9.28303051
  H     16.73594950     14.50437554    -12.76296789
  O     10.52969373     11.59552047    -12.27302808
  H     11.54180238     10.31090402    -13.07594914
  H     15.27668168     14.90571745    -12.49832249
  O     14.15561055     11.31764977    -11.33398625
  H     11.78023257      9.75901592    -14.49858224
  H     11.75901258      8.69273772     -9.63818210
  O     13.01513780     11.20592322     -7.91066618
  H     16.08901712     11.60955748     -8.88187633
  H     11.12678908      8.25263947     -8.29925029
  O     18.01432377     11.51575345    -12.09798452
  H     16.49215485     10.90737294     -7.56644136
  H     13.13321382     14.21127709    -12.61294591
  O     12.38050638     13.39033623    -11.21385363
  H     12.54990492     13.27914200    -16.38813864
  H     12.91826408     14.67730259    -14.07422980
  O     15.14340689     12.70181783    -14.83923797
  H     13.87002708     12.52251705    -16.19512207
  H     15.49432369     12.28068584    -10.65555862
  O     16.75979759      8.96666180    -12.45853539
  H     10.08560516     11.32750560    -11.45710531
  H     16.26940324     13.60384072    -10.72090410
  O     12.50983496      8.19134979    -11.12322895
  H     11.14178561     12.29543680    -12.00925642
  H     14.88822262     11.03251088    -14.28080849
  O     16.14198049     14.83171101    -12.07678394
  H     14.36166420     11.06498146    -12.24243131
  H     13.81538517      9.96930638    -13.82689155
  O     11.43373213      9.01691346     -8.78017867
  H     14.23851700     10.50758502    -10.81774069
  H     10.93638602     13.90609134    -15.15724474
  O     13.59702536     14.51681903    -13.40666500
  H     13.96286379     11.05415690     -7.97679044
  H     11.07332483     15.32595995    -15.75492524
  O     16.24180212     12.75405883    -10.25891290
  H     12.56745917     10.38624737     -8.16072958
  H     15.75163907      8.86748053    -10.88905368
  O     14.75747698     10.19211044    -13.81843350
  H     17.50914558     11.91112741    -11.37505960
  H     15.44643467      9.41696322     -9.46485548
  O     11.57603796     14.60468148    -15.38596860
  H     17.69112612     10.61266386    -12.19316275
  H     17.90804280     12.69628797    -13.38086215
  O     15.07580198      8.91065021    -10.19830111
  H     12.02215078     13.49652055    -10.32421273
  H     18.57178564     13.64559361    -14.40788682
  O     17.73062184     13.39409364    -14.03673428
  H     12.99578397     12.64065912    -11.17875874
  H     10.26087656     11.75398666    -15.35996213
  O      9.95212269     12.50321266    -14.83745149
  H     14.61010730     13.32225867    -14.31994498
  H      9.99490169     12.21117201    -13.91584218
          69
 Energy    -248.06227378627420     
  O     11.94924433     11.08703139    -14.58637197
  H     11.50951630     10.61315433    -13.87155042
  H     15.08597160      5.88271485    -15.49345721
  O     15.53207056      6.29130831    -13.74946089
  H     12.36657838     10.41366483    -15.14313546
  H     19.00031646      8.41450283    -12.83222063
  O     16.94270374     10.40296306    -10.64396980
  H     16.28256830      6.00753450    -13.21774367
  H     18.92022780      7.60815546    -14.14729700
  O     17.79612158     10.39625001    -14.88196522
  H     15.61188028      7.24890376    -13.88914842
  H     16.60538662     11.50366860    -15.76091275
  O     12.08273830      6.70614327    -16.16445614
  H     16.21615159     10.72309706    -11.19596585
  H     15.25170599     12.23579172    -15.57163208
  O     15.35547308      8.64411543     -9.16389823
  H     16.53216730      9.78948402    -10.02078505
  H     16.23722707      9.43838578    -14.53446898
  O     13.61275131      6.53790235    -11.78798026
  H     18.20660927     10.46222775    -14.00998446
  H     14.75159453      9.06008578    -14.87846994
  O     14.78715373     10.87691836    -12.33467682
  H     18.25297858      9.68406082    -15.34950163
  H     11.57376794      9.47675390    -11.82399036
  O     16.62183670      7.75307022    -17.39144994
  H     11.82975785      6.75520961    -15.22495856
  H     10.05858243      9.76716563    -11.90343919
  O     15.67232577      5.88050994     -9.93267546
  H     11.32766158      6.36136012    -16.63318060
  H     12.09457114      6.70426101    -12.89056537
  O     18.87410169      8.06087689    -15.98709329
  H     14.50492847      8.86939250     -9.55901164
  H     11.12351271      7.84653336    -13.24112085
  O     14.81989489      5.88925219    -16.42364630
  H     15.49838624      7.71192849     -9.36492564
  H     18.27511864     10.27563699    -11.68178614
  O     18.93232303      7.51904846    -13.18651595
  H     14.20019961      6.43612364    -12.55198556
  H     19.72998985     10.70460496    -11.98543907
  O     15.85283945     11.88096702    -16.23715902
  H     14.12690044      6.21889099    -11.03798253
  H     18.10851776      4.76548546    -12.08785965
  O     15.44852946      8.98458810    -14.21133922
  H     14.54446108     11.63756553    -12.87390462
  H     18.13285988      6.29264925    -12.31837109
  O     10.82267873      9.56011458    -12.43583353
  H     15.02004955     10.16866303    -12.95480956
  H     15.35726445     10.77179749    -17.46935425
  O     11.44730067      6.99118461    -13.54750799
  H     16.11409543      8.51036003    -17.70083136
  H     14.96718693     10.46810326    -18.93689682
  O     18.99192084     10.21737197    -12.34056045
  H     15.98486200      7.07211977    -17.12857652
  H     13.67524069      9.81387003    -11.39383614
  O     17.61479197      5.56573522    -11.92602067
  H     15.82582003      5.21825193     -9.26262822
  H     13.31319543      8.29400161    -11.27892527
  O     15.05808968     10.06945966    -18.07600607
  H     16.38663362      5.79029235    -10.58294734
  H     13.20760869     12.24595364    -14.38002286
  O     13.09627894      9.17755227    -10.94692617
  H     18.06503498      7.89264317    -16.50541904
  H     13.69853642     13.69929300    -14.16582890
  O     13.99940530     12.79764591    -14.23897677
  H     19.60959806      7.89736154    -16.57101460
  H     13.82800031      9.43926378    -16.86099059
  O     13.35601038      9.19201399    -16.05541806
  H     13.86966415      6.04965414    -16.41393047
  H     12.92363608      8.34080512    -16.19954652
          69
 Energy    -248.06221385512922     
  O      0.42485843     12.35957614      1.84992087
  H      0.12611717     12.21395933      0.93746564
  H     -2.75571657     11.89469146      1.92207594
  O     -0.13337180     15.87588462     -1.97449333
  H     -0.34614341     12.62367737      2.36552260
  H      4.56281119     10.04785096      3.65098083
  O     -1.68790209     10.53620020     -2.47644879
  H      0.43068379     15.37322385     -2.57507220
  H      4.21992437     11.12758775      2.59673436
  O     -3.86146424     11.79881084     -1.21571698
  H     -0.92050725     15.33312223     -1.83160905
  H     -0.41132361      9.21869073      1.74724879
  O      3.34736930     13.47571344     -1.53196188
  H     -2.54030303     10.83346965     -2.13156222
  H     -1.18995247      8.70212371      0.52486776
  O      4.53234659     12.70933791      1.90367880
  H     -1.48905748      9.66298629     -2.11278278
  H      3.80078240      9.11252816     -0.19773665
  O      5.53367014     11.95547845     -0.69106845
  H     -4.81092916     11.73663353     -1.26553064
  H      4.50105883      9.61727464      1.07578605
  O      1.40589915      9.79914043      2.03148329
  H     -3.61206055     11.59197795     -0.29446014
  H      1.70241870      9.16419675      0.34249628
  O     -0.09250435     12.04841292     -0.80539831
  H      4.19301194     13.05468306     -1.32772927
  H      2.00365878      9.58876086     -1.13447220
  O      0.41970991     11.60445010     -4.13690141
  H      2.96310448     13.75085414     -0.68634475
  H     -0.77843313      7.24872736     -1.53963029
  O      2.31038189     14.17980230      0.95932435
  H      4.99436464     12.55281061      1.07122129
  H      0.23029729      8.32126831     -1.07530107
  O     -3.03931963     11.24785021      1.26774850
  H      3.81042709     13.31558959      1.69280980
  H     -1.27402468     13.42577951     -1.01720619
  O      4.07650741     10.19653924      2.84464134
  H      5.21136574     11.05984068     -0.48417540
  H     -2.79045298     13.40472352     -1.26797476
  O     -1.30215078      9.10007146      1.39576765
  H      6.43891619     11.86027707     -0.97513794
  H      0.94782152     17.41598155      0.57952794
  O      4.61296955      9.52139006      0.12106111
  H      2.28530983      9.82950331      2.42610091
  H      0.47766982     16.32648533     -0.41384452
  O      1.86777017      8.82489558     -0.54994811
  H      1.08174811     10.71245715      2.03554482
  H     -1.96384274     14.90487468      0.47669459
  O     -0.70854305      8.16211047     -1.27231767
  H     -0.72634418     11.48843715     -1.27434301
  H     -0.89261122     15.75362549      1.18490014
  O     -2.04279285     14.00102692     -1.15117320
  H      0.76342212     11.81579802     -1.18232974
  H      2.69288207     11.81570661     -1.98563404
  O      0.76785824     16.48264622      0.50354072
  H      0.52844400     12.54868064     -3.97473597
  H      1.66184448     11.12318087     -2.94017771
  O     -1.72256017     15.28642423      1.33218933
  H     -0.39896866     11.32690752     -3.70425447
  H      2.24877941     14.03220649     -2.87213050
  O      2.17547175     11.01423180     -2.12510019
  H      1.66629052     13.55878964      1.32979993
  H      2.05434149     14.54380904     -4.31319972
  O      1.57764004     14.25736418     -3.53650566
  H      1.85649291     15.02669969      0.86917667
  H     -1.92052120     14.02224947      2.48968794
  O     -1.95394957     13.22009521      3.04259531
  H     -2.46500526     10.47450008      1.37147017
  H     -2.26107082     13.48715284      3.90420038
          69
 Energy    -248.06220540434964     
  O     -1.30784734      4.24466554      2.80696364
  H     -0.84293161      3.56444622      3.31244729
  H     -0.57245732      8.30817738      0.24878371
  O     -2.60635743      5.84698813     -0.65930446
  H     -1.99073996      3.83373587      2.26102709
  H      1.56783322      1.43267569      1.29610149
  O      4.11494919      6.58639530      0.54648886
  H     -1.71329303      5.83399353     -1.02417473
  H      0.08655328      1.15709081      1.02204313
  O      1.83191646      6.85090774      2.14820336
  H     -2.65799503      6.63966778     -0.10917109
  H     -0.78952790      3.13056247     -3.14627748
  O      0.13193572      5.82160625     -1.44512826
  H      4.82469839      7.18356266      0.32375952
  H     -0.02504065      4.21344760     -2.32748051
  O      2.67064606      2.63814517      0.39935291
  H      3.77606143      6.23081707     -0.29294475
  H     -2.88054760      1.38442645     -2.85476608
  O      0.71184699      4.58710800      0.88608682
  H      1.98187652      6.22077069      2.87586908
  H     -2.36867690      0.93473181     -1.47822659
  O     -2.35141955      8.10192129      0.97790297
  H      2.66080122      6.89656841      1.65239415
  H      3.04109792      4.48930424      3.37634928
  O     -1.04865022      1.73592912     -0.37409370
  H      0.32460632      5.29644350     -0.64810604
  H      1.68321515      4.03293156      3.96464991
  O     -0.95478165      6.99527099      2.99009214
  H      0.19770372      6.74606329     -1.15984841
  H     -4.57874205      3.74134895     -1.95843422
  O     -2.97331545      3.45352368      0.74491798
  H      1.98287362      3.30241838      0.56266788
  H     -3.68564385      4.99994150     -1.94242225
  O      0.32663395      8.15642012     -0.07008889
  H      2.77948004      2.58755031     -0.55641501
  H     -3.01573795      3.45847637     -3.54029675
  O      0.76647936      1.07597172      1.70309039
  H     -0.00974485      4.36686416      1.48775896
  H     -2.60803013      2.92900096     -4.93645627
  O     -0.02607301      3.27784583     -2.57251347
  H      1.18055551      5.32260709      1.30290293
  H      0.49269361      1.89059748      4.76193609
  O     -3.11885047      0.85601123     -2.08366447
  H     -1.91300600      7.72589908      1.76383372
  H      0.57917493      1.90788132      3.21739942
  O      2.25417019      4.79905366      3.85202652
  H     -2.90337983      8.81650960      1.28311832
  H      1.72553723      2.88043969     -2.57106889
  O     -4.10923961      4.36110799     -2.53061587
  H     -0.60780641      2.24648600     -1.06455583
  H      3.01895448      2.22930827     -3.11555873
  O     -2.38526113      2.88316830     -4.01048336
  H     -1.68532066      2.33146780      0.04614314
  H      4.41111607      4.95174957      1.59886274
  O      0.44796877      2.46719460      4.00398385
  H     -1.13276660      6.04480636      3.04456932
  H      3.88762193      3.50895779      1.52355377
  O      2.68486271      2.80775061     -2.43465015
  H     -0.00310909      7.07780508      2.86748532
  H     -5.84787601      1.81030972     -0.63938111
  O      4.31553648      4.14320465      2.11508745
  H     -3.76582508      3.04306645      0.37824860
  H     -4.42754794      1.68036212     -1.24345286
  O     -5.03230879      2.28423337     -0.77579199
  H     -2.86935208      4.30579287      0.29693908
  H      3.07666043      4.64908900     -2.02319920
  O      3.01769951      5.57009138     -1.74234946
  H      0.83543104      7.88059589      0.70099618
  H      2.08329852      5.79560765     -1.80505484
          69
 Energy    -248.06216915191760     
  O     -1.81894758      3.64412944      3.32336625
  H     -1.04056068      3.13883011      3.05329740
  H     -0.04154395      2.03453347      1.34018571
  O     -2.87229914      5.98031730     -0.43548094
  H     -2.43468710      3.57238195      2.58113395
  H     -0.81293478      2.84686252     -2.94615512
  O      4.76417578      6.58645583      0.36346097
  H     -2.03175886      5.88537991     -0.90872728
  H     -0.23395942      4.01486568     -2.11728815
  O      2.39901102      7.20656223      1.72186577
  H     -2.73071515      6.68553063      0.20640211
  H      0.86476402      8.26743811     -1.35231843
  O     -0.37754245      5.65026337     -1.53476993
  H      5.63282601      6.93594351      0.18712820
  H      0.95434161      8.64574109     -2.85322533
  O      0.57496095      5.19094743      0.97117899
  H      4.30388812      6.51928272     -0.49397114
  H     -3.00944135      1.24550978     -2.57028592
  O     -2.02107620      7.88193357      1.51636398
  H      2.35680519      6.90001514      2.63653180
  H     -2.53872664      0.87539418     -1.15627803
  O     -1.22179302      1.75375188     -0.10338296
  H      3.28837388      7.04787963      1.38092217
  H      3.17239898      3.69621805      2.53176721
  O     -0.81583097      6.14918740      3.23563080
  H     -0.01086954      5.49622713     -0.64811606
  H      1.90557407      3.04054154      3.08745068
  O     -3.19535942      3.52527621      0.87891132
  H      0.06070722      6.42803130     -1.89891826
  H     -4.64308078      3.71793587     -1.85620241
  O      0.48994410      8.65281810      0.28072031
  H     -0.03220165      5.45707144      1.67438986
  H     -3.80848865      5.01123506     -1.80529020
  O      0.43670492      2.54259229      2.00675911
  H      1.36023440      5.73844555      1.09829600
  H     -3.04306012      3.30337175     -3.34838316
  O     -0.10071634      3.07860254     -2.33775852
  H     -1.63191075      7.30728271      2.19857409
  H     -2.69877625      2.67411065     -4.71822668
  O      1.05914212      7.92114381     -2.24330104
  H     -2.54169359      8.53619916      1.97650367
  H      1.67451024      3.24362105     -1.96218821
  O     -3.27204862      0.76279444     -1.77683515
  H     -0.77372465      2.18742836     -0.84230254
  H      3.12730622      2.79924862     -2.19792160
  O      2.63743176      3.61923572      3.33623151
  H     -1.86682738      2.38669297      0.24597769
  H      2.14605140      5.14016412      3.95779407
  O     -4.12389350      4.32214153     -2.40259994
  H     -1.23742836      5.29044824      3.40397559
  H      2.17015735      6.16630459      5.11615833
  O     -2.46919641      2.65369939     -3.79296372
  H      0.03687793      6.15947533      3.68660472
  H      4.29240212      4.77030733      0.71827615
  O      2.59606806      3.45272147     -1.74621073
  H     -3.97650688      3.11616859      0.48701556
  H      3.37564617      3.71818098      0.06387327
  O      1.85485615      6.03168916      4.22689625
  H     -3.09714343      4.39324675      0.46409764
  H     -6.03923438      1.86110709     -0.52560946
  O      3.86033712      3.92157745      0.87123597
  H      1.15941022      8.24245326      0.84721249
  H     -4.60028321      1.66769154     -1.06431021
  O     -5.21627221      2.31652496     -0.67865406
  H     -0.36671179      8.45028413      0.67225617
  H      3.00534282      5.31451826     -1.93172274
  O      3.31953846      6.22580013     -1.87992016
  H      0.60698430      3.40333090      1.59612652
  H      2.57013358      6.80138539     -2.07355078
          69
 Energy    -248.06211757921781     
  O     14.41219354     10.57342689    -14.40698964
  H     14.98817411     10.37233258    -15.15990188
  H     16.30746932     11.31654989    -16.49079519
  O     18.30997033     14.87250939    -16.96217107
  H     14.20899347     11.51359669    -14.45830296
  H     18.68020276     12.45808284     -9.57328147
  O     19.83249572     13.58165626    -10.52253508
  H     18.27974325     15.35824707    -17.78201040
  H     18.56419862     10.93504816     -9.35767343
  O     15.29659174     14.02172102    -11.99334165
  H     18.86723187     14.08706667    -17.12049159
  H     21.13968722     17.84907173    -13.15397118
  O     19.61652037      9.39744761     -9.77753316
  H     19.18928404     13.92030612    -11.16270700
  H     20.63255243     16.44036905    -13.50387978
  O     15.50157871     11.89617452    -10.10695578
  H     20.57032697     14.20249759    -10.51094681
  H     20.61990295     12.04703818    -11.10821997
  O     19.21699318      9.98647281    -16.44362155
  H     16.20889920     14.32626140    -12.08373336
  H     20.74075608     10.54725379    -10.76196813
  O     21.25728700     12.99742751    -14.69882610
  H     15.31015463     13.33926359    -11.31089827
  H     15.33368539     10.19648759    -12.95883817
  O     22.04669436     15.29848019    -10.87087250
  H     19.14558113      9.08071135    -10.56960877
  H     15.71492015     10.68345769    -11.51197494
  O     19.92661077     10.60819761    -13.82459638
  H     19.79743498      8.63234027     -9.23878741
  H     19.61492430     11.78199806    -17.06929120
  O     14.13992555     13.50631749    -14.39088964
  H     16.41823501     11.86706649     -9.77778914
  H     20.55424866     12.83266655    -16.44771793
  O     16.29832090     10.34845288    -16.48313713
  H     14.93459522     11.78765707     -9.34793851
  H     20.26847182     14.51196263    -14.57466083
  O     18.07351213     11.76253391     -9.28801348
  H     19.64422122      9.20740321    -16.79403135
  H     19.19887707     15.31276770    -15.36120666
  O     21.14059621     16.94533837    -12.84926619
  H     19.53165011     10.08484775    -15.53138992
  H     22.47677311     12.33629223    -12.06184107
  O     21.05672134     11.22322495    -11.37339584
  H     20.80719803     12.17708378    -14.46473622
  H     22.73798147     13.84824667    -11.94558284
  O     16.00832026     10.15341246    -12.26259315
  H     21.96011344     13.10373057    -14.04112483
  H     18.88809260      9.14110832    -12.81272406
  O     19.90592095     12.69756673    -17.15218312
  H     21.74902932     15.93053219    -11.54764881
  H     17.49673879      9.12227146    -12.14753963
  O     19.71004915     15.30394935    -14.54381556
  H     22.58842838     15.78662647    -10.25608620
  H     17.00122582     11.35731702    -13.19719308
  O     22.90419376     13.08071447    -12.50590419
  H     19.09188243     11.10512006    -13.75737957
  H     17.19201111     12.24677047    -14.47778987
  O     18.38611746      8.73965933    -12.09771373
  H     20.40078003     10.73839332    -12.99091105
  H     15.60851759     13.39105188    -15.49032060
  O     17.61142757     11.94640489    -13.66065922
  H     14.51465064     13.70686602    -13.51453830
  H     16.92102986     13.81039976    -16.25984183
  O     16.41627191     13.06759042    -15.91233109
  H     13.29757779     13.95011761    -14.43704687
  H     17.88730286     13.48469343    -12.84230338
  O     18.05351256     14.36858654    -12.47667108
  H     17.22648167     10.09365419    -16.48888952
  H     18.55693297     14.83890619    -13.15176879
          69
 Energy    -248.06211053724269     
  O     15.88190700      9.58041726    -12.01134683
  H     16.46971926      9.22305319    -11.33130843
  H     13.42961532      9.58235782     -7.70524553
  O     18.98123526      4.66633146     -8.77526979
  H     15.40914419     10.32281034    -11.60826162
  H     12.28673188      8.99951762     -9.78717319
  O     16.07235531      4.41641991    -11.57235244
  H     19.80873683      4.20336028     -8.87962342
  H     11.52411204      7.68613363    -10.00252702
  O     13.68507848      5.65153645    -10.98464883
  H     18.82304248      5.14651239     -9.60620342
  H     15.07632903      8.94553472     -5.75797033
  O     18.30242129      6.37431684    -13.73618465
  H     16.07553396      4.33288946    -12.53442905
  H     16.17639207      7.95645092     -5.34376470
  O     16.32173979      3.52683232     -8.87436727
  H     16.81093003      4.99972971    -11.34855354
  H     12.84869263      8.26786153    -11.85672482
  O     16.92676650      8.79985415    -14.41995301
  H     14.47140969      5.13683583    -11.21006190
  H     14.32822855      8.53781264    -12.27184772
  O     18.14451096      9.19582345     -7.39957476
  H     13.62429223      6.38990745    -11.60867069
  H     18.44530399      6.17523550    -11.97372184
  O     15.41105717      5.41903140     -7.09063570
  H     17.93232749      7.22556474    -14.00142493
  H     18.03856159      6.92769616    -10.66924235
  O     17.33048566      8.41958893     -9.95471835
  H     17.67761613      5.70836560    -14.04870743
  H     15.98502561      4.00502368    -15.10708797
  O     15.03068467      7.25511724     -9.13733443
  H     17.25429512      3.75517451     -8.77255669
  H     15.57898913      5.38401056    -14.53356442
  O     13.65380045      9.61193481     -8.64193054
  H     16.13607868      3.64056675     -9.81454148
  H     13.03316226      8.06386249     -6.16418895
  O     11.74782021      8.52086164    -10.43063671
  H     17.22228179      9.55133194    -14.92755613
  H     12.59043853      9.25000745     -5.27043756
  O     16.03452727      8.83127213     -5.70731224
  H     16.57554864      9.14888258    -13.58307352
  H     10.93628019      5.22570671     -9.33646749
  O     13.55839778      7.98241921    -12.45102371
  H     17.35726350      9.19012431     -6.82729861
  H     12.32297727      5.68010381     -9.84023990
  O     18.30483757      6.06718299    -11.02160419
  H     18.75114793      9.82669225     -7.02045387
  H     13.66411246     11.98129931    -10.78424093
  O     16.12465373      4.59337515    -14.37029016
  H     15.57824387      4.65889635     -7.66822136
  H     14.14996936     10.86444244     -9.84711085
  O     13.22411529      8.99246311     -5.93401059
  H     16.28351040      5.74680958     -6.82896469
  H     13.68394006      5.96519345     -6.70500885
  O     11.61251155      5.88715169     -9.20933500
  H     16.51245993      7.97995621     -9.66894795
  H     12.38121784      6.23739631     -7.49525884
  O     14.41026337     11.41433921    -10.60370940
  H     17.71516875      8.80249888     -9.15756624
  H     18.17820886      7.27108113     -6.98505432
  O     12.83710982      6.43184475     -6.66749563
  H     15.16991037      6.67329115     -8.37864357
  H     18.41005969      5.79325302     -7.36895930
  O     17.97362637      6.36647535     -6.72423057
  H     14.56200244      6.73606134     -9.80189112
  H     15.49833133      7.58689855    -14.79702817
  O     14.79725180      6.92553133    -14.73666072
  H     14.15814413      8.80275399     -8.81647809
  H     14.20196189      7.24906392    -14.04758482
          69
 Energy    -248.06199470007408     
  O     12.30527151      9.60305525    -11.16178838
  H     12.44410389      8.86936402    -11.77758469
  H     11.84190123     12.47489885     -9.26343271
  O     12.77429503      7.48109414    -12.90670405
  H     12.15497344     10.39401249    -11.68871550
  H     11.43567925      9.02709498     -9.69037246
  O     14.63330889     10.15908525     -9.80597199
  H     12.29962167      6.71680341    -12.55468206
  H     11.25500883      9.09169924     -8.12721557
  O     15.49566133      7.48806693     -9.61411023
  H     12.45073726      7.66230508    -13.79782191
  H     12.26956915     10.85978415     -7.19209763
  O     11.73322097     14.20957286    -12.01430980
  H     13.81108601      9.93679217    -10.27099748
  H     11.22902080     10.59777123     -6.08934452
  O      8.46379422      9.37835060    -12.14872175
  H     15.06804116      9.31779286     -9.62723906
  H     12.51082260      6.05803871    -10.09110483
  O     12.52491290     11.78577925    -13.06604791
  H     16.06524310      7.01072437     -9.01704013
  H     12.30883822      7.18865517     -9.06928604
  O     14.48127920     14.37839984    -11.17759729
  H     14.60299692      7.11254460     -9.50871404
  H     15.07393470     11.23349971    -11.21816759
  O      9.45387179      7.12321970    -10.73344890
  H     11.48081786     13.72596132    -11.20289476
  H     15.61088168     11.22694817    -12.67526595
  O     15.50941395      7.81352405    -12.45533829
  H     11.10252859     14.91417186    -12.12697070
  H     11.88300449      8.03235837    -16.32711378
  O     14.57477896     14.34716077     -8.43435316
  H      7.60884796      9.50217087    -12.55341022
  H     12.65903160      9.05600332    -15.46054956
  O     11.15463789     12.73105440     -9.88893792
  H      9.12484034      9.66633700    -12.80149982
  H     10.76857150      9.52499500    -14.51974824
  O     11.01383193      8.60032206     -8.92680630
  H     12.17288799     12.65343960    -12.82524128
  H     11.01540620     10.81176199    -13.71253465
  O     11.68648034     10.18035012     -6.81475324
  H     13.42726489     11.75581715    -12.71281979
  H      9.65218058     10.03041989     -9.28075020
  O     12.95636451      6.54957889     -9.39179192
  H     13.57490002     14.44629123    -11.50114528
  H      8.89258036     10.35439584    -10.57035975
  O     15.10258182     11.74498467    -12.03928237
  H     14.82300594     13.54221538    -11.51988739
  H     13.33518072     10.97890453    -14.62234464
  O     11.97053670      8.36544583    -15.43858726
  H      9.87201901      7.56233135     -9.98023670
  H     14.65581980     10.22328185    -14.87332783
  O     10.33341528     10.17395971    -13.95383575
  H      9.06087564      7.82782761    -11.26330097
  H     16.03354975      9.16596589    -13.37490861
  O      9.21438873     10.74827507     -9.74999089
  H     14.58147889      7.62360736    -12.65201474
  H     17.12350371      9.85231103    -14.23755571
  O     13.76819340     10.36333715    -15.22652903
  H     15.61537378      7.66661202    -11.50869650
  H     10.63024901      6.00700883    -11.30272119
  O     16.24484899      9.96836758    -13.88719377
  H     15.08303906     15.08522785     -8.11063146
  H     11.08826477      4.57318617    -11.67135193
  O     11.39836469      5.46837722    -11.56981031
  H     14.57609039     14.42371317     -9.40357844
  H     13.73717419     12.80942691     -8.13341084
  O     13.28535997     11.95347523     -8.15452632
  H     10.43479839     12.09045300     -9.81126584
  H     13.84726072     11.34950381     -8.65876484
          69
 Energy    -248.06196158087187     
  O     -0.29540687      3.47692090      2.80935384
  H      0.40276873      2.82688556      2.95424117
  H     -0.02637802      8.39086743      0.79460875
  O     -3.05875857      5.15520965      0.26088800
  H     -1.03131424      3.04501535      2.35453525
  H      2.53969207      2.35564524      0.03925620
  O      3.32753236      7.12921734     -0.41992706
  H     -2.99192188      5.74082703      1.03172627
  H      1.23090149      1.55755475     -0.10412667
  O      1.46633727      7.73199470      1.47308612
  H     -2.42581468      5.50706332     -0.37372097
  H     -0.78271861      4.82202031     -2.32864966
  O     -0.86517286      6.28870643     -1.21740570
  H      2.81792031      7.22433750     -1.23870590
  H     -1.42423307      3.66072507     -3.14420306
  O      2.96369923      4.20691796     -0.31997509
  H      3.50016761      6.18539969     -0.34629057
  H     -2.74511687      1.28152869     -2.77592777
  O      0.60315137      5.14296318      0.75018443
  H      1.79784099      7.48856979      2.34610759
  H     -1.72383350      0.84094741     -1.71818457
  O     -2.43227627      6.95219827      2.19510156
  H      2.19455007      7.63192626      0.83894682
  H      2.94195023      3.44776849      2.84677022
  O     -0.42008560      1.90175550     -0.81935481
  H     -0.35061623      5.79918158     -0.55140311
  H      3.45938737      4.25603240      1.64619853
  O     -0.49410638      6.00842634      3.96530536
  H     -1.00306970      7.16784259     -0.83978247
  H     -4.23179727      4.20244681     -0.84058472
  O     -2.30484597      2.62348430      1.12214786
  H      2.11552130      4.50772183      0.04775404
  H     -4.69043587      2.73348386     -0.94783716
  O     -0.87020693      8.60122852      0.35731215
  H      2.83342978      4.15572455     -1.27550902
  H     -3.57309939      3.12970138     -4.41530910
  O      2.09802932      1.54762498      0.32545431
  H      0.85486244      5.99985319      1.12120110
  H     -3.66417275      3.25889245     -2.87529930
  O     -0.59931410      3.96948388     -2.74616190
  H      0.28637326      4.58824915      1.47406283
  H      2.21733671      1.02986743      3.47448323
  O     -2.56375660      0.59109533     -2.12686424
  H     -1.99070397      7.63095035      1.67415035
  H      2.02361420      1.61055657      2.05036373
  O      3.34328308      4.29123112      2.60134390
  H     -1.80053101      6.68314944      2.87836184
  H      2.47696185      3.67026934     -3.80439826
  O     -4.61105211      3.55417222     -1.44928448
  H     -0.42739023      2.62692637     -1.45682963
  H      1.17996788      3.99481907     -3.02888539
  O     -3.07176886      3.02039000     -3.61166455
  H     -1.02968649      2.15133630     -0.11030795
  H      2.95172209      6.79541632      4.53061655
  O      1.95978189      1.81592181      3.00119203
  H      0.43405564      6.24608644      4.05929966
  H      2.74011079      5.73948964      3.42285448
  O      2.14038528      4.13977088     -3.04471137
  H     -0.49221594      5.07411060      3.71324506
  H     -4.87672763      0.30905186      0.12676647
  O      2.36145285      6.53961045      3.82659665
  H     -3.02361214      2.02708262      0.88155661
  H     -3.73342203      0.76730177     -0.81264474
  O     -4.30813481      1.04619875     -0.07758000
  H     -2.58318600      3.51549324      0.86483474
  H      1.88694120      6.06603324     -2.92580534
  O      1.63914735      6.95178637     -2.63285195
  H     -0.90137417      9.54953409      0.26063377
  H      0.75552454      6.85917329     -2.26105970
          69
 Energy    -248.06192677225653     
  O     11.93076390     10.94705769    -15.05337737
  H     12.35434539     11.71746707    -14.65803339
  H     15.72485198      6.32412072    -15.33144855
  O     15.61899761      6.86397363    -13.62543318
  H     12.52761038     10.60943962    -15.73450725
  H     18.52900608      8.29666589    -14.71963490
  O     16.91831436     10.47905575    -11.18431516
  H     16.29470036      7.09502503    -12.97433971
  H     18.45639410      8.10610351    -13.17039162
  O     16.88925493     11.55143627    -15.04341926
  H     14.81533208      6.68113999    -13.12107736
  H     15.82988810     12.93299822    -15.37452014
  O     13.04567076      6.97647934    -16.83750350
  H     17.59475055     10.83204059    -11.77397472
  H     15.14720809     13.73204468    -16.49775557
  O     14.17336940      8.37170951     -8.92412651
  H     16.05499344     10.74876491    -11.53192123
  H     15.33067401      8.57760864    -14.14837323
  O     13.48525994      6.50727739    -11.90851182
  H     16.33997542     10.79575782    -14.78394993
  H     14.61293834      9.52360700    -15.15784260
  O     14.41682754     11.02625283    -12.24604860
  H     17.63753606     11.56243327    -14.43650331
  H     11.16347783      9.85208654    -13.96589616
  O     16.45369618     10.07434702    -17.42474401
  H     12.46165388      6.49508891    -17.41773783
  H      9.82973745      9.37024473    -13.34553485
  O     15.53739760      6.28286278     -9.92397747
  H     12.67469034      6.89665927    -15.94030446
  H     12.45439769      6.52605652    -13.52817074
  O     17.96195719      7.81181374    -16.49200873
  H     13.53866761      8.69718232     -9.57354872
  H     11.52568466      7.63604227    -14.03885345
  O     15.76460342      6.26057584    -16.29820790
  H     14.76555751      9.10722775     -8.71031188
  H     19.77506715     11.50841534    -12.99241943
  O     18.88291855      8.60591805    -13.87672655
  H     13.19459615      7.39789292    -11.66069770
  H     18.96560934     10.25532587    -13.41240083
  O     15.15689281     13.61088582    -15.55121292
  H     14.10606421      6.23235108    -11.22308914
  H     17.16476157      8.63530588    -11.41696663
  O     15.14421635      9.50163546    -14.35133226
  H     14.61803510     10.45173455    -13.00397835
  H     16.82856732      7.18612468    -10.97722855
  O     10.77063054      9.21589401    -13.34103022
  H     14.01141482     11.82124622    -12.61022584
  H     16.45934595     10.46585729     -9.42398973
  O     12.02357917      6.85943261    -14.32403168
  H     16.72319103     10.72367530    -16.76283010
  H     16.33209609     11.14810239     -8.05260533
  O     18.88808246     11.17992915    -13.10930092
  H     16.97338387      9.28855047    -17.21261745
  H     13.27633338      9.81154638    -11.50734347
  O     17.31614910      7.70417770    -11.63099204
  H     15.69341056      5.62001491     -9.25688342
  H     11.92006028      9.16314264    -11.85264800
  O     16.05485238     10.38092841     -8.54674567
  H     15.06426238      7.01611824     -9.48766713
  H     13.91042909     13.36570734    -14.36269018
  O     12.66632331      9.10847255    -11.24268102
  H     17.18939742      7.21898799    -16.47488714
  H     12.80122303     13.93752571    -13.44893503
  O     13.23213995     13.12687920    -13.70689642
  H     18.61756429      7.38537117    -17.03892526
  H     14.66139666      9.82054974    -17.15297196
  O     13.78405409      9.68741236    -16.76347789
  H     14.86883309      6.44108138    -16.60330614
  H     13.52196625      8.77015679    -16.91860374
          69
 Energy    -248.06189312960592     
  O     -6.20980325      1.63548665      0.76805045
  H     -5.48806725      2.17843897      0.41679430
  H      1.03612267      1.79774912      2.33318347
  O     -5.69699931      2.73858376     -3.54920929
  H     -6.28633005      1.86189779      1.70282750
  H      0.12426205      3.66870790      1.26946536
  O     -6.02196363      2.16678742      3.52876927
  H     -5.93782670      3.31039978     -4.27349486
  H     -1.16848193      4.40126969      0.83496560
  O     -0.71849434     -1.52449128      2.48429363
  H     -4.76812368      2.93654498     -3.35077835
  H     -3.74594897      3.04855944     -1.06172253
  O     -2.83923486     -1.65566353      0.65116155
  H     -5.24701379      2.75608577      3.56493764
  H     -3.44143611      2.28776646      0.26738250
  O     -5.53934520     -1.07718440      0.94128322
  H     -6.65613526      2.50909952      4.15308082
  H     -0.06303731      2.35566262     -0.28134668
  O     -3.11627088     -1.74500293     -2.14393150
  H     -1.19738231     -1.31696860      3.29559379
  H      0.49959733      0.94350482      0.07431884
  O     -3.08878790      3.15983890     -2.74902866
  H     -1.40147719     -1.72426414      1.82990967
  H     -6.56599672     -2.28140518     -2.18892989
  O      1.27198544      0.05732677      1.51151645
  H     -3.77739164     -1.54648995      0.86128983
  H     -6.21242161     -0.79787341     -1.92515140
  O     -1.78687553      0.77468160     -2.67523952
  H     -2.79148551     -1.76455331     -0.30698054
  H     -2.00674981      1.55169252      2.68130198
  O     -2.38231027     -0.73964948      4.67615463
  H     -5.75493342     -0.13382158      0.88445853
  H     -1.91766621      0.98676373      4.11483622
  O      0.69546453      2.65076916      2.62744996
  H     -5.76516440     -1.44645709      0.08029923
  H     -5.17530158     -0.83320781      2.80902075
  O     -0.33881912      4.03658815      0.50108011
  H     -4.08595012     -1.71997598     -2.10503893
  H     -5.27002473      0.42906750      3.68391807
  O     -3.98732342      2.98577161     -0.12848018
  H     -2.88504651     -2.40606551     -2.79297331
  H     -2.58036906      0.14113336      0.90520289
  O     -0.06498602      1.42498961     -0.54558581
  H     -2.64480001      2.29879786     -2.81370643
  H     -1.57181387      1.21615597      0.44107045
  O     -5.88323366     -1.71344387     -1.84263204
  H     -2.40187490      3.82496177     -2.61239759
  H     -3.12971867      5.90703277      0.88062224
  O     -1.79512273      1.79080517      3.59705513
  H      2.08554964     -0.43788980      1.55576919
  H     -3.36156082      4.38457970      0.73479906
  O     -4.87727357     -0.45206399      3.64311781
  H      0.57787602     -0.51540078      1.88346309
  H     -6.44410039      1.47992492     -2.48711319
  O     -2.37437161      1.08163614      0.96305263
  H     -1.10376888      0.91047972     -2.00404688
  H     -6.76098073      1.17319251     -0.99733279
  O     -2.89046618      5.06107521      1.25210177
  H     -2.22097896     -0.06099918     -2.47498383
  H     -3.51290014      4.29947815      2.89904304
  O     -6.77393981      0.79719885     -1.88572264
  H     -2.45273449     -1.11307564      5.55045100
  H     -3.06927917      3.08631605      3.73354862
  O     -3.80247183      3.70412225      3.59909027
  H     -3.28819151     -0.68519074      4.32175998
  H     -0.25918108      5.24119050     -2.54868190
  O     -1.01343033      4.89806854     -2.07452972
  H     -0.10940298      2.44082204      3.12164162
  H     -0.68249043      4.65048263     -1.19787559
          69
 Energy    -248.06185435038770     
  O     11.79078522     10.62496501    -14.31826986
  H     12.46065909     10.83893793    -14.98213290
  H     14.25037010     13.87211853    -14.15819713
  O     17.16901672      8.12123101    -14.32674842
  H     11.98211080     11.17415139    -13.54961093
  H     16.14058290      9.60402265    -14.09583525
  O     16.62768424      9.41328098    -10.32997071
  H     16.50840096      7.44157308    -14.14042334
  H     16.09219786     11.11735670    -13.67772253
  O     17.05375942     12.58154383    -13.23086356
  H     17.77187718      8.12970401    -13.57170224
  H     11.62182321      8.91609635    -14.30768035
  O     14.99499682      9.00812321    -17.60603905
  H     16.49402186      8.62098613     -9.79404007
  H     10.71838786      7.68804878    -14.57484474
  O     13.65147745      6.06245858     -9.73567709
  H     15.76657161      9.63273904    -10.71399197
  H     16.84218492      6.05029299    -10.64514073
  O     15.28842913      6.25478372    -13.48763000
  H     17.71937579     12.40426066    -13.90978086
  H     17.86221284      6.45412456    -11.71012046
  O     14.21078506      9.97118257    -11.58431403
  H     17.44203075     12.36598145    -12.37307379
  H     13.12787325      7.48154451    -15.37790386
  O     18.88247521     11.67014975    -15.14439427
  H     14.66113803      8.34481735    -16.97517262
  H     14.45811166      6.75251695    -15.13221930
  O     17.60872247      9.70032106    -16.53071726
  H     14.88655430      8.63174112    -18.47536059
  H     17.61446052     10.90344492    -10.54473597
  O     19.93683862     10.48526167    -12.71345668
  H     13.39339510      6.52520171    -10.54954342
  H     18.34252809     12.14375173     -9.98094325
  O     14.44989902     13.69426873    -13.22782848
  H     13.24807893      5.19924800     -9.78540994
  H     17.94496808      8.59501088    -11.42661751
  O     15.55360282     10.34420650    -13.89404078
  H     15.93593271      5.93991039    -12.83948463
  H     19.23750742      8.88839019    -12.23167814
  O     11.59951042      7.94171850    -14.31400960
  H     14.56611959      6.64250221    -12.97644232
  H     15.22569011      6.64782210     -9.22829928
  O     17.18044763      5.79798995    -11.51140647
  H     13.59468324     10.71209374    -11.54209292
  H     16.37032347      6.62550434     -8.18890858
  O     13.96508986      7.24893379    -15.79700931
  H     14.65609803     10.05174349    -12.44419898
  H     13.93072014     12.88257702    -16.08231344
  O     18.13908177     11.68291735    -10.79123638
  H     18.42454354     11.00076944    -15.68255382
  H     13.28009688     14.18310994    -16.57955203
  O     18.62343924      8.18385306    -11.97885583
  H     19.45776876     12.14601965    -15.73815868
  H     13.49089951      8.34728468    -11.83621190
  O     16.12980760      6.95943823     -9.04955529
  H     16.78198555      9.58443797    -17.01025771
  H     12.53908861      7.55814011    -12.77675642
  O     13.90751104     13.84358669    -15.94643976
  H     17.58669126      9.02195677    -15.83863271
  H     11.99031395     12.75741903    -11.52955316
  O     13.16588730      7.46016809    -12.04927453
  H     19.46385016     10.99427314    -12.04339740
  H     13.24462777     12.76164927    -12.43488254
  O     12.57112833     12.18723439    -12.02530674
  H     19.66606513     10.84786032    -13.56551736
  H     14.22788201     10.45543192    -16.71792001
  O     13.97212289     11.07608757    -16.02605106
  H     15.38034918     13.44086080    -13.19823754
  H     14.52450337     10.85104041    -15.26107162
          69
 Energy    -248.06183413450259     
  O     10.35243578     10.14268434    -11.23372938
  H      9.55959946     10.00111770    -10.72332257
  H     10.35410328     11.92135482    -16.89911332
  O     14.50601095     10.55554333    -12.62833312
  H     11.06269765     10.34679364    -10.59906139
  H     14.56851166     13.35063794    -15.44792677
  O     16.97192120     13.53627979    -13.85280384
  H     15.42536830     10.78754906    -12.43245930
  H     13.61571122     14.54920684    -15.27685349
  O     15.70637903      7.43678466    -13.94356416
  H     14.31805617      9.70006581    -12.22461236
  H     17.80784997     11.21692156    -15.69494809
  O     10.94828572     11.82203910    -13.39820419
  H     17.36080369     13.19704539    -14.66819830
  H     18.66169162     12.04641144    -16.68229034
  O     12.17861781     15.03458727    -16.38649671
  H     16.11303940     13.89664859    -14.10374977
  H     13.62644990     13.21462697    -10.78451386
  O     15.06096897     12.04381622    -16.65634136
  H     15.12514898      7.93131281    -14.53480481
  H     13.74282512     14.02801628     -9.47442516
  O     14.60345369      8.96227439     -9.24456969
  H     16.56259923      7.86648814    -14.03248022
  H     16.41089476      9.73498631    -14.90646742
  O     13.30795277     12.97725519    -12.51342470
  H     10.62102899     11.29464292    -12.65896241
  H     17.35678077     10.23598208    -13.77855355
  O     14.44628613      9.73089834    -15.21071105
  H     11.71498876     12.31110451    -13.06930189
  H     15.68614086     10.54263588     -9.52554225
  O     12.37540629     10.71341073     -9.53157516
  H     12.03191589     15.85756217    -16.84541259
  H     15.40703225     12.04199903     -9.71998839
  O     10.64566544     11.21602413    -17.50640506
  H     12.40596009     14.37105638    -17.06411030
  H     11.32769878     10.15821040    -16.11154048
  O     14.32186282     14.05986862    -14.83713685
  H     16.02455804     12.09842285    -16.66116742
  H     11.48799021     10.54464134    -14.62674399
  O     17.84281572     12.05079147    -16.19347623
  H     14.82867266     11.20714926    -16.23160399
  H     13.64563411     12.62656121    -17.72034257
  O     13.82235410     13.14840612     -9.83449767
  H     14.79508713      8.29529116     -8.59007530
  H     12.15352480     12.31516171    -17.99822019
  O     17.33919172      9.81821083    -14.65478579
  H     14.46047609      8.49535289    -10.08585985
  H     11.14531573      8.80687107    -12.32318533
  O     16.10753875     11.37941129     -9.75693585
  H     13.65622430     13.44687536    -13.28289501
  H     11.61880774      8.60684048    -13.77654660
  O     11.70563684      9.85918433    -15.27575706
  H     13.69766573     12.08714599    -12.52841197
  H     17.12313365     12.14695883    -12.70237520
  O     12.82604441     13.00359359    -18.06814210
  H     13.49925094      9.66369271    -15.39698016
  H     16.96283741     11.36179702    -11.34414782
  O     11.67006640      8.22819123    -12.89129347
  H     14.49172975     10.06593011    -14.30004311
  H     10.72110624     13.88784909    -15.82245373
  O     17.13821023     11.26824762    -12.29198341
  H     13.08018818     10.08140432     -9.34530978
  H     10.27997839     12.77609076    -14.83777924
  O     10.09237163     13.16603281    -15.70299540
  H     12.79776485     11.58076600     -9.54492996
  H     13.22279570      7.91559810    -12.09572628
  O     14.11591860      7.93654256    -11.71718421
  H      9.91419183     11.03476376    -18.09063852
  H     14.72711244      7.61236550    -12.39252157
          69
 Energy    -248.06150740419969     
  O     12.87723201     11.76366779    -14.38045671
  H     13.69840521     12.19825098    -14.12763361
  H     15.38416820      6.40071303    -15.54101375
  O     15.45425859      6.53230841    -13.70280271
  H     13.07865521     11.23740576    -15.16799575
  H     20.50715061      8.22796442    -14.16240571
  O     17.45750448      9.76270931    -11.15817409
  H     14.73527312      6.49053877    -13.05818569
  H     19.05828535      8.43721317    -14.63155930
  O     17.82538557     11.59069566    -13.39803562
  H     16.27708305      6.67803741    -13.21403114
  H     14.66621913      9.45840463    -14.99702007
  O     12.52685086      7.38793525    -16.58712415
  H     17.43234974      9.49902531    -10.22980836
  H     15.24393674      8.27568988    -14.14122349
  O     14.30741264      8.17564742     -8.64286380
  H     16.55824805     10.05813278    -11.36727384
  H     10.35480748     10.54016902    -12.95428021
  O     13.38089775      6.66755104    -11.84736801
  H     17.96158233     11.00054516    -14.15037084
  H     11.81433944     10.74797568    -13.41230848
  O     14.95590769     10.59104741    -11.93664769
  H     17.89892694     11.03486845    -12.61200058
  H     17.38920294      6.37116474    -10.70765588
  O     17.11034890      8.12629850    -17.70714608
  H     12.23015835      7.38807956    -15.65842609
  H     17.17572985      6.96779961     -9.30698215
  O     14.47409816      5.45495254     -9.57083528
  H     11.82578103      6.99592069    -17.10038420
  H     11.54015507      8.41686629    -13.67357470
  O     17.79372270      9.53582674    -15.34841737
  H     13.71234639      8.60788635     -9.26905992
  H     12.24605879      7.09616979    -13.29181998
  O     15.26629232      6.58775647    -16.48261151
  H     14.25580891      7.23189019     -8.83868393
  H     17.65038428      8.11467771    -11.94367644
  O     19.65794460      7.79582561    -14.21819325
  H     13.67273895      6.12630620    -11.10333089
  H     18.49018976      7.26937828    -12.93131920
  O     15.26036589      9.23337357    -14.26991752
  H     13.22764307      7.55393931    -11.48980731
  H     17.21816732      8.99876464     -7.68254069
  O     11.22067764     10.14055916    -12.93676441
  H     15.00096601     11.51493653    -12.20714079
  H     16.00518413      8.61458134     -8.56040625
  O     17.07852757      6.15490583     -9.81784198
  H     15.01866254     10.08105406    -12.76214108
  H     15.98633710     10.99099837    -18.72847167
  O     11.77784391      7.54320667    -14.00779020
  H     17.70199896      7.55623515    -18.19065980
  H     16.05982097      9.52948754    -18.25844791
  O     17.75052262      7.22482904    -12.31101145
  H     16.45568613      7.54578606    -17.27598421
  H     13.65098362      9.75074559    -11.12784984
  O     16.97089509      8.74292040     -8.56713022
  H     14.38953994      4.61893569     -9.12109742
  H     12.15875492      9.53284945    -11.39984999
  O     15.45091092     10.26830137    -18.40885806
  H     15.42821914      5.62225385     -9.67776249
  H     15.56355052     13.85125158    -13.25585302
  O     12.88193518      9.23575241    -10.83564832
  H     16.93184840      9.45778850    -14.91089621
  H     16.28062037     12.50121126    -13.46425341
  O     15.40506202     12.92094039    -13.39390460
  H     17.67440520      9.13498430    -16.21747839
  H     14.19301545     10.14296123    -17.13388361
  O     13.59778743      9.97349944    -16.39002804
  H     14.32949453      6.78769852    -16.59681444
  H     13.15255855      9.13384005    -16.56004065
          69
 Energy    -248.06149730766828     
  O     12.48101816      2.62645908    -12.13889480
  H     11.63371247      2.17213160    -12.22597591
  H     10.09427977      4.55251388    -12.84430305
  O     13.03175789      2.69669281     -9.42280243
  H     12.36152846      3.47907344    -12.57263303
  H      8.56834764      7.87785201     -9.59656615
  O      8.16673328      6.75192949    -13.19758456
  H     12.46753342      3.47784594     -9.29549640
  H      8.97350728      6.42566779     -9.35624400
  O     15.40069649      6.60156653     -9.59377914
  H     13.00830033      2.53817162    -10.37656545
  H     12.03233282      5.50869612     -9.79443425
  O     10.50874022      6.03407243     -6.86688289
  H      8.33186310      5.80705697    -13.08765579
  H     11.30889769      5.36851964     -8.40734483
  O      9.84049923      1.47892544    -12.27211320
  H      8.93626613      7.08577008    -13.67637261
  H     13.24978688      5.93199806     -5.16231310
  O     11.35943218      1.39717973     -7.70111432
  H     16.33000067      6.63190492     -9.80226405
  H     12.17235510      5.99998999     -6.26555427
  O     11.72850377      5.30104460    -13.08333999
  H     15.25799675      5.80825218     -9.04613713
  H     10.00267263      1.08633720     -8.99074000
  O      7.78529121      8.55761647    -11.18917198
  H     10.10874560      5.15853527     -6.72815388
  H      8.58026479      1.60429948     -9.26296915
  O      7.49557797      2.97391302     -8.51544652
  H      9.89926973      6.57696137     -7.37973052
  H     13.49757197      7.46840369     -7.20640667
  O     10.40035146      9.34328774    -12.08689425
  H      9.64212475      0.67348071    -12.74259702
  H     14.33082297      7.75633138     -8.46001207
  O      9.20830715      4.18096726    -12.71148625
  H      9.64269162      1.31028090    -11.33405962
  H     14.18310847      4.84893823     -7.34465823
  O      9.07086809      7.31756983     -8.99169314
  H     12.02475358      1.77835472     -8.29887750
  H     14.27814521      3.77570121     -8.46698193
  O     11.51604219      4.91505148     -9.23274380
  H     11.80052161      0.71666970     -7.19865537
  H      9.84093120      4.65467803     -9.76015778
  O     13.12916828      5.93216173     -6.10905571
  H     11.43573381      6.04880778    -13.61956878
  H      8.90413739      4.57011361    -10.98674368
  O      9.29292792      1.07713338     -9.64418660
  H     12.21546129      5.69893856    -12.34642110
  H     13.86289586      6.55714728    -10.60842418
  O     13.62682753      8.11795134     -7.90731059
  H      7.84691060      7.87265695    -11.87935392
  H     12.49714427      7.31140495    -10.61491269
  O     14.76087428      4.48807859     -8.02859554
  H      6.96317084      9.01832089    -11.33500637
  H      8.80160605      3.25997174     -7.16463645
  O      8.91361963      4.72483662    -10.03357233
  H      6.55911768      3.15068945     -8.53646096
  H     10.24403865      2.77668509     -6.94165810
  O     12.96143420      6.53158653    -10.95303913
  H      7.92380250      3.64273678     -9.07950384
  H     10.74862876      8.12875210     -9.35013896
  O      9.61555757      3.46348350     -6.68753940
  H      9.48262545      9.24021712    -11.80674127
  H     12.22251961      8.51374543     -8.97106697
  O     11.56139925      8.53376322     -9.67895415
  H     10.92241723      9.21745786    -11.28333038
  H     10.88308860      8.18362914    -15.00293407
  O     10.67439515      7.67932141    -14.22109942
  H      9.31841557      3.22358219    -12.65868995
  H     10.66303942      8.30899164    -13.47770904
          69
 Energy    -248.06136173793220     
  O      0.93981288     -0.11692607      2.77917432
  H      1.48912078     -0.15534157      1.98717695
  H     -2.80866500      0.13870895      3.31821272
  O     -2.60588898     -0.09312092     -3.68307299
  H      1.07050935      0.73111416      3.22135418
  H     -2.14651727      0.62578525      5.25698861
  O     -0.17122366     -1.66993000      4.80601102
  H     -1.85735995      0.27966759     -3.18592055
  H     -1.71814053      0.86231524      6.72261036
  O     -4.41790860     -0.33425071     -1.50277867
  H     -2.58482944      0.30599127     -4.54895779
  H     -1.18618156      3.25846964      1.89009733
  O     -1.79631462     -2.67742526     -2.67253309
  H      0.31565459     -1.24915419      4.08272698
  H      0.03053838      2.92394391      2.77619502
  O      0.11888122     -1.82490224     -0.88076608
  H     -0.56519243     -0.94415875      5.30081948
  H     -1.87349167      1.28476413     -0.85503026
  O     -3.01568510      3.26558758      1.73924017
  H     -4.15749354     -1.20847901     -1.17543223
  H     -3.33007423      0.83538037     -0.61804288
  O     -4.14664912     -2.46173889      3.73321380
  H     -3.96723556     -0.21559091     -2.34751231
  H     -1.99213490      0.52142824      1.21872080
  O      0.64489170      2.14502125      4.44678354
  H     -2.50265833     -2.89341967     -2.05016945
  H     -0.80706041      0.08532969      2.15882244
  O     -0.56772917      0.69842622     -2.01918225
  H     -2.10979866     -1.91120224     -3.16771177
  H     -4.42883356     -2.92755823      0.11335959
  O     -5.31423246      1.83637225      2.84811905
  H     -0.32532251     -2.15085916     -0.08516874
  H     -2.89478704     -2.82758053      0.09480923
  O     -3.39248263      0.25598975      4.08588490
  H     -0.38236032     -2.20618106     -1.61669811
  H      1.52687657     -0.94704150     -0.16917504
  O     -1.37743040      0.76700100      5.83673391
  H     -2.94127513      2.73842067      0.92962510
  H      3.04036812     -0.68089393     -0.02595838
  O     -0.22921247      3.11294487      1.86995671
  H     -3.78430864      2.90656472      2.19315797
  H      0.60897710      2.56406745      0.36367851
  O     -2.62098523      1.37923919     -0.25240432
  H     -3.94302914     -1.54537425      3.95920275
  H      1.54968897      1.42852876     -0.11605740
  O     -1.73879993     -0.05733821      1.94953899
  H     -3.32071926     -2.95339609      3.81544989
  H     -1.06606850     -3.03492242      4.22951516
  O     -3.67405715     -2.82576607     -0.47996423
  H      1.16491740      2.66199133      5.05755027
  H     -1.32646770     -4.56072634      4.23768317
  O      2.18534752     -0.39993474      0.29088821
  H     -0.06106395      1.72762432      4.96423794
  H     -1.47051391     -3.18662057      2.03491824
  O      1.02741668      2.17789781     -0.42125781
  H      0.02412693      1.34187163     -1.59838380
  H     -1.65357324     -1.74695708      1.50023109
  O     -1.59843711     -3.74477029      3.82689085
  H     -0.35115286     -0.16153031     -1.63501142
  H     -6.41120963     -3.32875293      1.72956083
  O     -1.48507817     -2.66314111      1.22665889
  H     -6.11803564      2.30933957      3.04624240
  H     -5.13984533     -2.68418086      2.33127566
  O     -5.67578397     -2.75877210      1.52118281
  H     -5.52891484      1.21768074      2.12689676
  H     -5.52852416      0.03067210     -0.00243794
  O     -5.87023278      0.02332847      0.89999730
  H     -4.10925378      0.83311829      3.79367668
  H     -5.89160581     -0.90696833      1.15606634
          69
 Energy    -248.06130387556342     
  O     15.52777744     10.44302935    -15.36869447
  H     15.68241085     10.38237937    -16.31883943
  H     16.96796377      5.28671021    -15.73903085
  O     16.64413082      4.47968622    -14.11698744
  H     14.61185351     10.16404513    -15.20951235
  H     19.67323656      4.51223022    -12.35463511
  O     15.56826723     11.56686863     -9.89502698
  H     17.47362395      4.58103860    -13.63115264
  H     19.51259912      5.61865054    -13.42257428
  O     19.57225837      9.10797260    -13.97720507
  H     16.03540647      5.11045485    -13.71562405
  H     19.46702828     10.56235516    -16.55271268
  O     14.93273289      7.22318033    -17.59017122
  H     15.62971596     11.53441482    -10.85938503
  H     20.24309741     11.84460835    -16.19774657
  O     16.44158991      8.08461441     -8.90761186
  H     14.91036113     10.90592833     -9.64617710
  H     17.93970628      8.48703723    -14.52502620
  O     15.23036078      6.85704274    -13.23560578
  H     19.26803004      9.40711815    -13.11092476
  H     16.54670675      8.99581945    -15.01171300
  O     15.97414475     10.87748047    -12.61762484
  H     19.70970853      9.87975865    -14.54657758
  H     13.15997696      9.35619499    -13.71844870
  O     20.28575082      6.54785711    -14.65487269
  H     15.68305657      6.66897936    -17.33388561
  H     12.95487523      8.53716123    -15.00011185
  O     13.29752063      6.65418370    -15.30462423
  H     14.26200489      7.05871909    -16.91786046
  H     16.58080591      6.84224877    -11.87804701
  O     19.53227128      6.65354812    -17.45094820
  H     17.03700926      8.83862333     -8.80982432
  H     18.01815673      6.30861711    -11.70825115
  O     17.12177402      5.98280638    -16.39129435
  H     16.78797819      7.56167570     -9.64171418
  H     17.10110612     11.00501991     -9.25422002
  O     19.04916973      5.13810362    -12.71285735
  H     14.72590071      7.53749763    -12.76389167
  H     18.37908849     11.10849088     -8.38441255
  O     19.79189144     11.10056324    -15.80971208
  H     15.89706033      7.31759641    -13.77345142
  H     17.97958373      8.65497441    -11.51502686
  O     17.04728045      8.20692249    -14.76412294
  H     16.81528185     10.45927469    -12.38593660
  H     18.30029065      9.94988261    -10.72109078
  O     13.05324390      9.43989842    -14.67538235
  H     15.92224465     10.92683566    -13.58038962
  H     13.42169974      9.04913045     -8.52339309
  O     17.37452113      6.92634289    -11.33663156
  H     20.18023519      7.47453884    -14.39062754
  H     14.83482979      8.75630342     -9.08511877
  O     17.91946069     10.54217768     -8.99770587
  H     20.16968569      6.53436895    -15.61041949
  H     19.07375637      8.51318185    -17.69440357
  O     18.25725456      9.57743869    -11.60991866
  H     12.73753301      5.88787142    -15.20048912
  H     17.86539937      9.47110782    -17.88980200
  O     13.99949306      9.22594881     -9.26052888
  H     13.94885813      6.61916768    -14.58826994
  H     13.85699078      9.02891702    -11.09020626
  O     18.81844429      9.44163905    -17.74355352
  H     18.67053753      6.30390474    -17.16530767
  H     14.68874274      9.66831984    -12.23162402
  O     14.01469491      8.99780565    -12.04098900
  H     19.83207714      6.09668735    -18.16532415
  H     15.61796633     10.05140825    -18.86266575
  O     15.97364434      9.68854389    -18.05535887
  H     17.13551213      6.81167170    -15.88553615
  H     15.56019248      8.81529890    -17.93535486
          69
 Energy    -248.06121122222612     
  O     15.78362281      5.32210903    -14.43674499
  H     14.97887120      5.83101727    -14.28153471
  H     17.16481796      5.31531139    -13.38875413
  O     17.94106088     12.80714598     -9.94007053
  H     15.90563563      5.28444812    -15.39305966
  H     20.17653912     11.39410139    -17.25018135
  O     20.32258077      9.54363391    -14.71533131
  H     17.92226306     12.74094354    -10.90607233
  H     19.81189465     10.34887747    -16.17525832
  O     15.77147666      8.12992276    -17.39061470
  H     17.08476269     12.47595523     -9.64361079
  H     17.20084339      9.76376325    -15.00011925
  O     17.38417851      9.32819817     -9.07168460
  H     20.14404168      9.76009133    -13.79172463
  H     16.49817858      8.59447801    -15.75817033
  O     15.40159810      8.69032196    -12.73246165
  H     20.11385391      8.60237473    -14.78892958
  H     14.61968199     11.58473771    -14.06276767
  O     17.84733718     12.00637939    -12.61050550
  H     16.53109067      8.43809086    -17.90062464
  H     14.23490420     10.76217677    -15.31828343
  O     19.09777400      7.03785391    -14.82644844
  H     15.80797130      7.16398632    -17.39290007
  H     17.80966545      6.89053370    -11.77671877
  O     13.57915250      7.03807255    -13.88237243
  H     17.44842714      8.66986791     -9.77603047
  H     16.79850964      8.05950617    -11.79210481
  O     18.75916244      6.28017359    -17.47825440
  H     18.24403587      9.76587907     -9.04715729
  H     14.23169345      8.82024478    -16.55621493
  O     16.23019202      5.35243341    -17.24728947
  H     15.93534479      8.71961682    -13.54244386
  H     13.47587414      8.41146949    -15.28216558
  O     17.97358275      5.35883375    -12.84601883
  H     15.23188143      9.60598057    -12.47331332
  H     20.48599699     11.16800445     -8.83572317
  O     19.50987141     10.75624237    -17.00822731
  H     17.75864499     12.01969961    -13.57362041
  H     19.19014938     11.63889338     -9.53896745
  O     16.99338602      8.82119215    -14.96026827
  H     18.40237944     11.24137164    -12.40449429
  H     19.74432253     10.12923121    -11.14279580
  O     14.69809400     11.55953089    -15.02251314
  H     18.35492655      7.66356013    -14.84146393
  H     18.87693183      9.05962050    -11.85131238
  O     17.63098531      7.75898087    -11.39839956
  H     18.89091526      6.39882919    -14.13589163
  H     15.00271608     11.36382437     -8.51310938
  O     13.60135767      9.14163899    -15.89808996
  H     14.15491027      7.62766491    -13.36382676
  H     16.14070628     10.56779448     -9.19237616
  O     19.78084164     10.87542845     -9.40615609
  H     12.81020043      6.86285510    -13.34539936
  H     18.38300386      9.13741958    -19.50922196
  O     19.46352349      9.81224391    -12.01068840
  H     19.00368633      6.47682767    -16.56168805
  H     18.69099074      9.54827700    -18.05322653
  O     15.53987629     11.32689019     -9.29990494
  H     18.70779704      7.13160326    -17.92746885
  H     16.08676911     11.62285311    -12.30510469
  O     18.22694575      8.89376130    -18.59955568
  H     16.04693042      4.63607622    -17.84913266
  H     15.10993618     11.40011508    -11.14018618
  O     15.17732114     11.35670325    -12.10220773
  H     17.17122063      5.58173696    -17.35508886
  H     16.43044069     11.66829495    -15.39412636
  O     17.38934818     11.59495120    -15.25292787
  H     18.16249206      4.46890116    -12.56136548
  H     17.86822986     11.52746182    -16.08149562
          69
 Energy    -248.06120338756728     
  O     -5.79811401      0.26912584      0.57365211
  H     -6.07498759      0.29399480      1.50134463
  H     -1.80132138     -0.33995215      2.69382353
  O     -5.97392936      0.67030818     -3.95025327
  H     -5.54792233      1.17079213      0.33406803
  H      0.69622362      2.65148120      1.85696805
  O     -6.32567596      0.56820632      3.22984889
  H     -6.70983480      0.74096404     -4.55170498
  H      1.17874439      3.37568562      3.13290312
  O      0.55768079     -1.09752128      0.83596932
  H     -6.28408532      0.15308008     -3.18412981
  H     -0.93735357      4.40953947      2.04452636
  O     -1.49106197     -0.50320637     -0.97504458
  H     -6.58578104      0.19732575      4.06810928
  H     -1.35941915      4.84206204      0.63554205
  O     -3.66377341     -1.01426586     -4.00895517
  H     -5.67602479      1.26349232      3.43267368
  H     -3.89951247      2.39980278      0.01370996
  O     -3.68703749     -1.53249193      0.33042229
  H      1.13352541     -1.84126964      0.98925359
  H     -4.82334187      3.52738788      0.48978645
  O     -1.76935579      1.03024127     -3.19265628
  H     -0.19050255     -1.18699321      1.45516340
  H     -0.38336900      3.65671643     -1.50544480
  O     -4.19094279      2.50389879     -2.81291642
  H     -2.26398431     -0.89676147     -0.54376940
  H     -1.66525511      4.49924081     -1.73996692
  O      1.17484619      1.65717973      0.47233950
  H     -0.71220065     -0.78128528     -0.47866246
  H     -4.11250797     -2.19568290     -2.76857020
  O      0.56983118      2.25090378     -2.32304008
  H     -4.44339025     -0.45857087     -4.13803517
  H     -4.47285138     -3.65730038     -2.41629147
  O     -1.67078497     -1.23578522      2.35246213
  H     -2.92289155     -0.40523535     -3.91751749
  H     -2.08584215      1.65595464      1.96932438
  O      0.39523571      3.14055508      2.64302031
  H     -4.40214729     -0.89697398      0.47840145
  H     -1.08657153      2.01589857      3.06999178
  O     -1.58711101      4.94126995      1.57053833
  H     -3.96605141     -2.09431354     -0.40426409
  H     -1.90579948      1.12126794     -0.21948109
  O     -4.78517439      2.77916136     -0.11671057
  H     -1.68601568      0.41148405     -2.44737772
  H     -1.79897454      2.68328835     -0.19061848
  O     -1.07370297      4.15576861     -1.05399210
  H     -2.55866366      1.56646864     -3.03579877
  H     -3.33019957      4.83851303      1.78379478
  O     -4.47162754     -2.76937857     -2.06883365
  H     -4.84501891      1.94610464     -3.25130444
  H     -4.63061744      5.60762917      2.10154017
  O     -1.88929823      1.50733553      2.90756927
  H     -4.48774472      2.63139029     -1.90003625
  H     -6.46714422     -0.47176711     -0.96026795
  O     -2.24766589      1.92039889      0.19767359
  H      1.03847168      1.81472796     -0.46814507
  H     -6.02814210     -1.62691005     -1.88264650
  O     -4.29695928      4.74844197      1.85692930
  H      1.03921482      0.71131433      0.61407826
  H     -3.53396112      2.12005897      3.52261090
  O     -6.61834193     -0.86594302     -1.83132904
  H     -0.21317967      1.83543315     -2.72078956
  H     -4.44190439      3.28885900      3.10362075
  O     -4.42162500      2.48542555      3.63566470
  H      1.21489345      2.33638665     -3.02104682
  H     -3.34840113      5.58361534     -3.42123922
  O     -2.81938783      4.88459235     -3.04588504
  H     -2.43799789     -1.43783767      1.80229275
  H     -3.36780756      4.08417468     -3.07583393
          69
 Energy    -248.06115919475945     
  O     11.80429940     10.85970685    -12.17222145
  H     12.31058304     11.25774192    -12.88996498
  H     19.04568710      4.86299589    -15.70603475
  O     13.78988496      7.04802424    -14.94632122
  H     11.10263013     10.34896325    -12.59550424
  H     15.76635798     12.22535143    -17.11061887
  O     17.60090410     11.80362550    -11.60446829
  H     14.13986919      6.81489496    -15.81467325
  H     16.16162817     10.96809517    -16.30252497
  O     17.60450952      7.37767652    -17.01388648
  H     13.18446893      7.79278808    -15.08180332
  H     15.28010216      7.82286930    -14.27582514
  O     12.18041547      9.27067725    -15.31952259
  H     16.77352574     11.38220157    -11.89717385
  H     16.63799036      7.63051876    -13.52194395
  O     15.62732550      8.41179913     -9.25473290
  H     17.39520820     12.71527047    -11.41577005
  H     20.59151060      8.08591908    -11.54921082
  O     13.26136608      6.67794049    -12.23547579
  H     17.66030548      8.28932938    -16.70264087
  H     19.19823883      8.65681595    -11.18993817
  O     15.40259479     10.42403958    -12.39811816
  H     16.67869337      7.22420925    -17.23967498
  H     10.14592058      6.13553055    -11.64319951
  O     14.82837831      6.94134672    -17.57256296
  H     12.67827164     10.01430640    -14.94819721
  H     11.48706106      6.70306137    -12.13502019
  O     15.62528900      6.08953029    -11.00440549
  H     11.35908220      9.20396164    -14.81917964
  H     19.44289752      9.71121992    -13.16972644
  O     17.40054445      9.89302375    -15.67227682
  H     14.83296697      8.71180966     -9.72606946
  H     18.72732355     11.05541565    -12.98794861
  O     18.50947647      5.49356849    -15.23352973
  H     15.37714965      8.31517884     -8.33837668
  H     18.49970808      7.00873901    -12.48819960
  O     15.40592124     11.50297359    -16.60259506
  H     14.06204984      6.34809797    -11.79979701
  H     18.04814334      6.02106406    -13.60870171
  O     16.05117907      8.28418642    -13.92508967
  H     13.43479733      6.68927668    -13.18609201
  H     17.30072710      9.12839083     -9.77857973
  O     19.72340826      8.25513032    -11.90589097
  H     14.75774301     10.05760251    -11.78037680
  H     17.98316383     10.33777377    -10.46450350
  O     10.52616222      6.84297598    -12.15709353
  H     15.71396189      9.67624593    -12.93179422
  H     14.31346435     10.16288904    -17.41442135
  O     19.16320321     10.50171040    -13.64704640
  H     14.45940153      7.83475758    -17.69373238
  H     13.04883384      9.39476786    -16.98592848
  O     17.76796615      6.45399293    -12.78778625
  H     14.56661643      6.43014468    -18.33409319
  H     13.37817175      8.30167781    -11.34532278
  O     18.15309016      9.47156124    -10.07274666
  H     15.75967562      6.78455383    -10.35070461
  H     12.82452795      9.74831703    -11.17533965
  O     13.74220614      9.42478113    -17.65907470
  H     16.40283567      6.10354479    -11.57947870
  H     14.20980230     11.58348819    -15.12774110
  O     13.49324402      9.12671141    -10.85299816
  H     18.11995044     10.19089823    -15.09765063
  H     14.31139827     11.12660332    -13.65925124
  O     13.68091056     11.40021372    -14.34141304
  H     16.88707506      9.27617002    -15.12742281
  H      9.05353498      9.21367356    -13.68029043
  O      9.99334564      9.11851732    -13.55000228
  H     18.22558809      6.15019262    -15.89141164
  H     10.12766385      8.29409496    -13.05066589
          69
 Energy    -248.06108407956333     
  O     10.62932267     10.16593698     -8.89308800
  H      9.76024194     10.30680842     -8.52400535
  H     13.56790386     12.11873961    -14.12573380
  O     13.49138600      8.81554312    -16.53735631
  H     10.73773529     10.81746778     -9.60441988
  H     17.22370455      9.91576169    -10.19649034
  O     11.36922837      7.87276436    -10.54309314
  H     12.67289450      8.31490903    -16.42200044
  H     17.05534293      9.01775300    -11.45216501
  O     14.40210828      8.41175166    -13.99372302
  H     13.21819624      9.72219802    -16.72157166
  H     16.60599261      6.67900640    -12.39589406
  O     12.44264732     11.48975663    -16.89397042
  H     11.06186886      8.56153964     -9.94370418
  H     15.56095257      7.72999693    -12.83648758
  O     11.72681508      8.44397582    -13.19275160
  H     12.30402585      7.73486859    -10.33228420
  H     12.18333863     14.90768771    -11.67367605
  O     14.78934317      8.24751199     -7.47314486
  H     14.26126881      8.49412421    -14.94849999
  H     12.08256227     13.37397381    -11.54801996
  O     13.67218575     10.52513801    -10.94054778
  H     13.51675250      8.38448829    -13.60191876
  H     14.43485051      7.90952659     -9.23810698
  O     13.06206069     10.32318059     -7.35584321
  H     12.61329979     12.08141706    -17.62332511
  H     14.87098778      7.61293022    -10.71493168
  O     15.29558482     13.90642051    -10.84744506
  H     12.59024324     12.00229670    -16.08298043
  H     17.26867045     11.36699292    -11.90888401
  O     11.27109019     11.78747276    -11.04087385
  H     11.39622936      9.34561021    -13.30158536
  H     17.92742300     12.53869884    -12.67770969
  O     12.82723817     12.67706345    -14.41566423
  H     11.53530029      8.17648091    -12.28247259
  H     11.41867511     11.60469604    -13.89549541
  O     17.41162643      9.85707075    -11.14619431
  H     14.81072874      7.75184721     -6.65958660
  H     10.24568314     10.75828897    -14.43560933
  O     16.12567167      7.44723798    -12.09703468
  H     14.14096516      8.96549986     -7.35018267
  H     14.32675923     11.48390137     -9.56150073
  O     12.57374944     14.09130498    -11.97875207
  H     14.11738164     10.70637710    -11.77721818
  H     14.93641996     12.86386918     -9.34111434
  O     14.13149926      7.87808423    -10.15554255
  H     13.82775166      9.60371634    -10.69797385
  H     15.66532703     11.42950842    -13.20243382
  O     17.08517315     12.19192225    -12.39726201
  H     12.22011875     10.28018777     -7.82352326
  H     14.83776925     10.17183784    -13.70362703
  O     10.69956210     11.01904309    -13.62172609
  H     13.55117744     11.07083076     -7.72770817
  H     10.21101565      9.24747839    -16.11649090
  O     14.65227995     12.07392158     -8.86417468
  H     14.46276817     13.97070609    -11.32781785
  H     10.73205396     10.63263465    -16.53864283
  O     14.78902865     11.10049403    -13.44343918
  H     15.89400473     13.38522680    -11.39651306
  H     16.18596421      9.44422080     -8.07221281
  O      9.97707774     10.18417300    -16.13654687
  H     12.11879841     11.31389703    -10.97979257
  H     16.09824192     10.90636180     -8.53457274
  O     16.68642606     10.13916410     -8.51361169
  H     10.86781797     11.51804690    -11.87857786
  H     10.68033839      6.68364030    -15.73384889
  O     11.05103583      7.56208921    -15.71453265
  H     12.72007566     13.34495974    -13.72865550
  H     11.24953228      7.76162628    -14.78368375
          69
 Energy    -248.06108008120336     
  O     16.71741545      9.38582264     -9.65518615
  H     17.46655280      8.83720980     -9.39557246
  H     12.77258960      7.52828489    -12.90594356
  O     15.48063606      8.53695321    -14.12102768
  H     17.03302535      9.94942949    -10.37762393
  H     13.34507419      7.91658023    -16.50709343
  O     16.44014947      8.71304910    -17.60135298
  H     14.82048406      8.24773626    -13.47860348
  H     13.96776922      6.51636760    -16.49450374
  O     12.58701454     11.78163703    -15.40334071
  H     16.08346972      7.79957400    -14.27498217
  H     15.30780942     11.83507156    -13.71808589
  O     15.51263880      6.99265289    -10.62888964
  H     16.30826822      7.76827745    -17.46647163
  H     13.85016503     12.21614180    -14.07308946
  O     19.34318661      8.90718717    -12.04434387
  H     15.60701692      9.12673405    -17.33357494
  H     17.35616050     10.85278823    -15.01001643
  O     17.88736895      6.40683133    -11.79002829
  H     12.01496497     11.20734229    -14.86207215
  H     16.35955571     10.04582509    -14.13976106
  O     17.67650377     11.09338352    -11.63992326
  H     12.01281298     12.36826266    -15.88814964
  H     18.61833950      6.95822945    -10.13404926
  O     11.22598031     10.11731218    -13.76394105
  H     15.78149559      7.84520728    -10.26472733
  H     19.45176916      7.06454394     -8.84134312
  O     17.29257603      6.41785449    -14.54484934
  H     14.73197245      7.16422567    -11.17237084
  H     17.70247675      9.71055193    -16.93783946
  O     11.49589203      7.28739439    -14.21762836
  H     18.86755693      9.73993116    -11.91303992
  H     18.82173348     10.75720494    -17.15498321
  O     13.49525190      7.80802976    -12.33134685
  H     19.56616761      8.59533035    -11.16129573
  H     14.55372730      9.25320613    -15.54542774
  O     13.13748287      6.98411558    -16.35110927
  H     18.23210425      7.26964241    -12.05834552
  H     13.62716216     10.37804168    -16.09900420
  O     14.48516944     12.18524945    -13.34727003
  H     16.99663532      6.54479817    -11.42354135
  H     16.08567041      5.19154513    -17.26866603
  O     16.79733227     10.90791721    -14.22683694
  H     17.43896309     11.04482470    -12.57764406
  H     16.34624997      6.03034194    -15.99979859
  O     18.96025654      7.58246592     -9.47408721
  H     17.16599085     11.83436046    -11.28428844
  H     19.48432595      8.51836489    -13.90540854
  O     18.34599700     10.28124890    -16.47981578
  H     11.23357174      9.17029371    -13.94916235
  H     19.11510510      8.95327011    -15.35061880
  O     14.11865604      9.58735714    -16.34513109
  H     11.68120127     10.23652029    -12.92002288
  H     13.60810577     11.03555395    -12.22162065
  O     15.81500661      5.98484744    -16.81239303
  H     18.05319970      6.98548331    -14.75448668
  H     13.42884637     10.59068616    -10.74887281
  O     19.32536677      8.18980922    -14.79986823
  H     17.42632291      6.12267907    -13.63713412
  H     15.23146809     12.39244399    -10.22306117
  O     13.09963257     10.44765262    -11.64404950
  H     12.05517563      7.11837920    -14.99673666
  H     15.24400061     12.85969978    -11.69136663
  O     15.74089974     12.90244392    -10.86341464
  H     10.77611193      6.66322206    -14.25518958
  H     15.23654677     10.32619202     -9.25049832
  O     14.44567047     10.88838728     -9.20092504
  H     13.31040389      8.71450628    -12.04339666
  H     14.19819925     10.93249036     -8.28057831
          69
 Energy    -248.06099427518552     
  O     14.38816990      9.87432735    -10.93730353
  H     14.15086871     10.45580703    -11.66884538
  H     13.16078011      8.77830198    -10.15078633
  O     13.33282368     10.39057162    -16.67470620
  H     14.83127549      9.10273730    -11.32746863
  H     18.46377014      7.87639156    -15.00265256
  O     16.77935095     10.90474485    -13.55146287
  H     13.01335782      9.78830952    -15.99124780
  H     19.85684703      7.20729533    -15.04669383
  O     13.46871482      4.95426074    -12.47123784
  H     13.24380338     11.28075920    -16.31077263
  H     13.26741472     13.84852452    -15.50713142
  O     16.24801588     12.60587887    -15.78894623
  H     15.82319605     10.93409810    -13.40318349
  H     14.53377284     12.95710999    -15.55981575
  O     15.70576067      7.65155071    -11.99840542
  H     17.20811170     10.81448955    -12.69293329
  H     13.65352915      8.23918872    -14.56996525
  O     13.97849856     11.08268134    -13.34312088
  H     14.00842180      4.70447371    -13.22892285
  H     12.36492532      8.24904736    -13.72272345
  O     18.49048191      7.77887152    -11.83652622
  H     14.05885345      4.95380110    -11.70329002
  H     14.96213353     10.32346303    -17.30837026
  O     18.12988776     10.45804672    -11.05790308
  H     16.59064381     12.16600941    -14.99994821
  H     15.89568432     10.37937559    -18.54117368
  O     17.85913882      4.64094538    -13.81199334
  H     16.25595742     11.93856367    -16.48665007
  H     10.85578418      6.67840639    -12.42658107
  O     15.14635624      4.65418541    -14.78543278
  H     16.66782453      7.71525398    -11.92797078
  H     12.34343669      6.26358693    -12.45886182
  O     12.71431254      7.97728521     -9.83896477
  H     15.45021707      6.86398459    -11.50008442
  H     14.03921248      7.42696012     -8.79900294
  O     19.03792351      7.23261228    -14.55704613
  H     13.74272393     11.80770469    -13.93225876
  H     14.60621574      7.00278019     -7.42664871
  O     13.57294853     12.95223676    -15.39993194
  H     13.54927081     10.28527639    -13.68760144
  H     16.23855502      5.15399583    -10.56869067
  O     12.85578467      8.75584748    -14.38122876
  H     18.56259702      8.71439898    -11.61267307
  H     15.20871205      5.85495946     -9.61864236
  O     15.89361243     10.38060688    -17.58780093
  H     18.79354093      7.65598877    -12.74551849
  H     18.27524268      5.98008247    -11.10339496
  O     11.74279475      7.03027871    -12.41711198
  H     17.56836826     10.13895263    -10.32829164
  H     17.94394337      4.76351537    -11.96928874
  O     14.85553412      7.17356516     -8.33159607
  H     18.73835828     11.08560424    -10.67593747
  H     15.36460195      7.44414665    -13.70233034
  O     15.29886005      5.36167480    -10.44258867
  H     18.21072624      5.47121187    -14.15210409
  H     15.90991031      7.92322068    -15.07540917
  O     17.94072326      5.07690237    -11.05247255
  H     16.96184744      4.56243170    -14.15727668
  H     15.65549421      9.86082124     -9.65931434
  O     15.22612094      7.38367531    -14.66225061
  H     14.85346059      4.31887244    -15.62937153
  H     16.13479475      8.72342231     -8.76452458
  O     16.41883994      9.56274646     -9.13994001
  H     15.13991922      5.62457513    -14.84957834
  H     16.88262323      9.46891232    -16.34413792
  O     17.26112177      9.06862262    -15.55139343
  H     12.31678213      7.59576999    -10.62880262
  H     17.14681821      9.70429951    -14.82775975
          69
 Energy    -248.06091645754026     
  O     -1.38521830      1.04441245      3.86892781
  H     -1.76045123      0.56390676      4.60255975
  H     -2.49840823      5.56662638      0.11129557
  O     -3.63536210      1.19941154     -2.45413977
  H     -1.77057636      1.93954838      3.89185664
  H     -1.19853093      4.42449974     -1.35680694
  O     -2.54239307      3.38256547     -3.94441228
  H     -3.73944847      1.54594332     -1.55931469
  H     -2.40571568      4.25261971     -2.29646265
  O     -4.53465979      4.23019920      2.05064964
  H     -3.41819157      1.95940293     -3.00962546
  H      1.73997779      3.69828261      4.17820253
  O      0.05331627     -0.17230842     -0.91958398
  H     -2.72437171      3.74404308     -4.80758939
  H      2.36833937      4.94384428      4.84576101
  O      1.74189799      1.81922099     -2.08370993
  H     -1.70543041      2.88919458     -4.01724252
  H      1.04052850      2.33235926      1.42978750
  O      1.35822852      1.99149853      4.22425029
  H     -5.37094422      4.65256605      2.22578217
  H     -0.45794364      2.16488255      1.10210825
  O     -1.66683668     -0.55173762     -3.09295508
  H     -3.94429939      4.91303779      1.68028887
  H     -3.00125902      3.17857105     -0.42332255
  O      2.45207587      1.17971595      1.80674515
  H     -0.54440002      0.11051621     -0.21154860
  H     -3.99392108      2.97797515      0.74476532
  O      1.94752677     -1.29482572      0.73513940
  H     -0.50151956     -0.41039945     -1.67232209
  H     -1.71206023      4.18565666      3.46207386
  O      3.27190886      4.65494409      1.43575498
  H      2.49622550      2.02356551     -1.51726468
  H     -3.18009958      3.74810031      3.27891277
  O     -2.68021439      5.88905453      1.00482361
  H      1.21869617      1.14956656     -1.62046897
  H     -1.60475410      0.73541561      2.04186439
  O     -2.16481126      4.48501378     -1.39179995
  H      1.85404541      1.61334581      3.48320419
  H     -2.36293118      1.30428013      0.78470686
  O      1.95094196      4.63965969      4.04428380
  H      0.46322296      1.64364535      4.14605326
  H     -0.17102730      4.32746763      2.00289747
  O      0.24875362      2.81829689      1.16637664
  H     -2.02387594     -1.29744860     -3.56724903
  H      0.39703402      5.19485504      3.13086148
  O     -3.49734992      2.50527209      0.06668219
  H     -2.42235098      0.00735053     -2.83594746
  H      1.10505096      5.75936878     -0.34217860
  O     -2.37138820      3.55181699      3.76766816
  H      2.31100262      0.26691840      1.51636132
  H      0.73049045      6.22353312      1.07134685
  O     -1.61222168      0.76619928      1.07624869
  H      3.04884725      1.58584269      1.16662916
  H      0.47316260      3.74269002     -0.31889730
  O     -0.32783605      5.15105886      2.49376060
  H      1.87112586     -2.24260024      0.80396928
  H      0.97517577      3.51385415     -1.73592577
  O      1.36309669      6.37252001      0.36102276
  H      1.28655227     -1.01541961      0.08114144
  H      0.48530225      1.84919278     -3.52349467
  O      0.54505821      4.17621217     -1.18451245
  H      2.95954072      4.60569449      2.34498790
  H     -0.70859094      0.93330907     -3.84576872
  O     -0.32677687      1.79825648     -4.04237862
  H      2.73505932      5.34292255      1.01671260
  H      4.73672988      2.59055110     -0.43072533
  O      3.80696004      2.58317585     -0.21747841
  H     -1.86144746      5.79669187      1.50674659
  H      3.64353981      3.37022859      0.33454792
          69
 Energy    -248.06088792032804     
  O     -3.82690167      5.35175928      2.15067211
  H     -4.47356378      5.82134535      2.67085679
  H      2.43298181      2.26613958      2.78394435
  O     -4.32798152     -1.66047034      1.86151163
  H     -2.95177275      5.61992925      2.48392796
  H     -3.44531184      4.70753331     -1.99212697
  O     -0.57193858      3.46623916     -2.54806907
  H     -5.15833134     -2.08527619      2.05886855
  H     -3.96734034      4.36393250     -3.40914398
  O     -3.31178479      1.90400233     -0.90140602
  H     -4.41013179     -1.28707286      0.96499357
  H     -1.83677462     -2.23517854     -0.80587987
  O      1.18460590     -0.23718907      4.46709918
  H     -1.49289330      3.65992346     -2.76471387
  H     -1.78313140     -2.56836760     -2.31503731
  O      1.20236990      6.18539579      1.54498020
  H     -0.54620013      2.52172174     -2.35016923
  H     -0.66174855      3.29473762      5.07627801
  O     -0.62641374      3.04553336      1.32043406
  H     -2.43446009      1.53928954     -1.08865165
  H     -0.36118073      4.44202733      6.06703865
  O     -0.96686260      1.59933804      4.92613123
  H     -3.46647917      2.59926947     -1.55247223
  H     -3.42275598      2.41812038      0.81292216
  O     -4.33743001     -0.68523760     -0.66946110
  H      1.47825128     -0.98530376      4.98109203
  H     -3.61624268      3.52882490      1.90492724
  O     -2.76821568      0.31750645      3.13262622
  H      0.66246542     -0.59484071      3.72805467
  H     -0.58402902      6.17365430      2.54948782
  O     -0.38768106     -0.88555250      2.32209303
  H      1.91548824      6.80847703      1.65925764
  H     -1.05744480      5.41203696      3.80651892
  O      2.69917418      1.35780830      2.59006999
  H      1.43744632      5.39625484      2.06046431
  H     -1.15160984     -0.14018119     -1.73160790
  O     -3.42338898      4.03617476     -2.69877310
  H     -1.53399247      2.86681530      1.59138216
  H     -0.15329981      0.72358265     -0.91696380
  O     -1.92168315     -1.85447981     -1.69822995
  H     -0.66389139      3.77767661      0.68993836
  H      0.97978622      4.00996485      3.86919737
  O     -0.39389209      4.22971677      5.13818687
  H     -0.19883446      1.01711112      4.87547419
  H      0.68839046      3.51125393      2.44548946
  O     -3.33844821      2.61658819      1.75820640
  H     -1.67026025      1.15818555      4.43425114
  H     -3.59599512      5.67604175      0.27474359
  O     -1.35755986      5.98818457      3.09119673
  H     -4.14760830      0.25772756     -0.76514287
  H     -2.29887634      5.68041003     -0.54906491
  O     -0.84506357      0.76461457     -1.59268391
  H     -3.62811720     -1.13539392     -1.14441579
  H      1.65319679      0.96480020      1.12402480
  O      1.39652330      3.86016992      3.01176420
  H     -3.03936598      1.13369593      2.68592349
  H      0.30523921      1.64263859      0.79869803
  O     -3.26310194      5.75165018     -0.62559239
  H     -3.36521652     -0.37554970      2.82412127
  H     -1.22444293     -2.25254029      1.38290343
  O      0.85704269      0.87386593      0.58228641
  H      0.04210547     -0.33223148      1.65420402
  H     -2.72039561     -2.56878283      1.25535604
  O     -1.85998922     -2.76594486      0.86560055
  H     -1.21078496     -0.44407340      2.57913762
  H      0.20348458      5.59165500     -0.01427063
  O     -0.57259314      5.19685985     -0.42491990
  H      2.32561401      0.82514286      3.30283081
  H     -0.33346364      4.67015321     -1.20343177
          69
 Energy    -248.06071216262131     
  O      1.32846148     -0.49620615      4.02359424
  H      2.11264491     -0.57421164      4.56149049
  H     -3.17892718      0.89284597      2.69593157
  O     -1.83761843     -1.82037227     -3.27866399
  H      1.49593240     -1.00661452      3.21135048
  H     -3.58491882      3.30972585      0.57118596
  O     -1.19090294     -0.82326066      5.29161405
  H     -1.09534246     -1.36761019     -2.85848572
  H     -2.41455727      2.71376820     -0.21722297
  O     -4.02439727     -0.84050165     -1.89371398
  H     -1.86543084     -2.69767204     -2.87720713
  H     -2.93223207      1.62192968      4.85473815
  O     -2.11057014     -4.19601701     -1.64573260
  H     -1.49301724      0.07973473      5.45989986
  H     -1.75064761      2.55035453      5.16568014
  O     -0.19860347     -2.97669605      0.09061068
  H     -0.32252145     -0.75494153      4.87911972
  H     -2.88717183      0.46778201     -1.29910229
  O     -1.56094561      3.28280876      2.86726049
  H     -4.03648905     -1.55544341     -1.24287350
  H     -1.34774373      0.52419549     -1.18717806
  O     -5.10857625     -1.18045155      3.54148043
  H     -3.36907246     -1.10686460     -2.55483735
  H     -2.08760707      0.44157603      0.76282407
  O      0.48327022      1.53957028      2.28078183
  H     -2.34663362     -5.07901142     -1.91975193
  H     -1.06055879      0.55864256      1.91257949
  O      0.04773739     -0.62297118     -1.46031891
  H     -2.85541286     -3.85959321     -1.12054748
  H     -3.37285848     -2.83891634      0.70301036
  O     -5.29137691      2.63636679      1.23381888
  H     -0.81819762     -2.87127763      0.82897711
  H     -4.87627629     -2.78420747      0.35777222
  O     -3.83261301      1.36333841      3.23791672
  H     -0.65933286     -3.52775654     -0.55237057
  H      1.23809152     -2.25719073      1.10877598
  O     -2.65897163      3.46036387      0.34569375
  H     -2.29793563      2.73831490      3.16209880
  H      2.01529168     -0.92882869      1.04234714
  O     -2.20686609      1.76777925      5.48044965
  H     -1.80804214      3.51574978      1.95750768
  H      1.42305948      1.13951756      0.82788250
  O     -2.15849214      0.98697521     -0.93415054
  H     -4.76824718     -0.27821903      3.53850378
  H      2.62214204      1.39341071     -0.11531329
  O     -1.90503746      0.16023124      1.67051478
  H     -4.44065644     -1.72041646      3.98201617
  H     -3.00701985     -3.36803105      5.32184982
  O     -4.00713992     -2.97296357     -0.01721384
  H      0.76686352      1.00740525      3.03529693
  H     -2.32540813     -2.03438435      4.92795145
  O      1.81413758     -1.67549489      1.61997342
  H     -0.12015704      2.23625489      2.57779683
  H     -2.39651722     -2.73001727      2.88368674
  O      1.94014516      0.76104342      0.09596119
  H      0.76965500     -0.11313884     -1.07278165
  H     -2.06590289     -1.56102679      1.91351324
  O     -2.97412116     -2.70380252      4.63946500
  H     -0.03972232     -1.41971685     -0.91811260
  H     -7.17405549     -2.37718905      1.49008394
  O     -2.14555927     -2.52638571      1.97597624
  H     -5.51604024      1.85840981      0.69216885
  H     -5.90859469     -1.74184690      2.11650701
  O     -6.31272307     -2.02822959      1.27713297
  H     -6.04968322      3.21414383      1.21184632
  H     -5.33407312      0.08620064     -0.91655033
  O     -5.86375392      0.40005468     -0.17246086
  H     -4.39944285      1.85780319      2.63069231
  H     -6.11654021     -0.39059265      0.31892096
          69
 Energy    -248.06070075824994     
  O     10.60029979     13.24288069    -12.29168438
  H     10.37951152     12.66036144    -11.55544765
  H     15.94470682      8.42357037    -11.81775114
  O     11.57462436      9.48563966    -11.21664854
  H     10.84369879     12.68236646    -13.04111578
  H     15.15222674      6.08003377    -12.47916315
  O     13.75513643      7.85054147    -14.77375866
  H     12.38611120      9.96114695    -11.45828297
  H     14.44423372      7.21478368    -13.24332243
  O     13.82961892     13.16173334    -10.43744990
  H     10.98496516     10.12326075    -10.79824141
  H     13.19514266     12.82924741    -14.02771393
  O     14.48699629     12.26315388    -16.39963516
  H     14.25390405      8.68287371    -14.75487115
  H     13.48816661     14.19439420    -13.37812427
  O     11.28931396      8.98309500    -13.87819326
  H     13.20472484      7.89577999    -15.56767389
  H     13.87197493      7.43050819    -10.76610600
  O     14.08194633      9.53508230     -8.04517988
  H     13.43596473     13.90178207    -10.91555152
  H     12.62771275      8.25147114    -10.38260463
  O     13.94738988     10.75401032    -11.91574431
  H     14.75651238     13.36940175    -10.26287316
  H     17.28381458     11.51375631    -13.36903005
  O     12.35107563     11.75926045     -8.55440307
  H     14.38842506     12.96263389    -15.74197630
  H     18.44727470     10.72567261    -14.02793346
  O     16.51936358     12.97659880    -12.92536689
  H     14.72227145     11.48580579    -15.87280602
  H     11.66888427     11.73140214    -15.36765896
  O     10.10997497     11.55484286    -10.02943968
  H     12.13537122      8.55154408    -14.05699319
  H     11.54649260     10.78517975    -14.16436402
  O     16.34245430      9.24127074    -11.49463270
  H     11.22014186      9.04094211    -12.91545348
  H     17.18834244     13.82241658     -9.55554794
  O     14.86748801      6.98780554    -12.39902162
  H     13.87063503      8.87421840     -8.72761604
  H     16.54781287     12.42175712     -9.72665468
  O     13.88155662     13.50366990    -13.92368676
  H     14.08914762      9.07012968     -7.21207817
  H     14.54282911     10.54382914    -13.69337896
  O     13.38713881      7.77864710    -10.01100525
  H     14.73123687     10.28035453    -11.60907146
  H     15.94260219     10.31031751    -14.31736360
  O     17.60579430     10.61975327    -13.59428497
  H     13.92919578     11.61069274    -11.46930565
  H     12.94292845     11.74214309    -17.05271456
  O     11.67240549     11.71360634    -14.40316086
  H     12.89322753     12.31185748     -9.13591007
  H     11.72523797     11.87970037    -17.99607099
  O     16.57226474     13.32758593    -10.08806434
  H     12.89623271     10.99753587     -8.32566178
  H     15.60486435     10.43357336     -8.71090775
  O     14.99583603     10.25948669    -14.50035486
  H     15.62860873     13.17319327    -13.24345625
  H     16.49002871     10.17651134     -9.94039828
  O     12.03721808     11.42580958    -17.21769946
  H     16.54528470     13.18214092    -11.98334337
  H     11.76077352     14.48616524    -12.09838084
  O     16.35054742     10.79200523     -9.20696125
  H     10.86674133     11.65849970     -9.42318248
  H     12.18490476     15.96872555    -11.93264636
  O     12.52805720     15.08363409    -12.00981094
  H      9.32165621     11.55861426     -9.49351820
  H     11.93313825      9.49647216    -16.96665076
  O     11.82458814      8.59224587    -16.64690815
  H     16.87818233      9.61360371    -12.20754912
  H     11.28506523      8.67982892    -15.85046907
          69
 Energy    -248.06064840693961     
  O     16.57246211      9.42713996    -15.11005955
  H     17.32003318      8.83120188    -14.94741613
  H     14.54693969     12.27562359    -12.95641704
  O     14.84810281      7.99417932     -8.51536692
  H     15.78964558      8.88837514    -15.28233068
  H     13.64644901     11.80229510    -10.81541645
  O     17.24425588     11.96487103    -15.79731753
  H     15.24879061      8.88306284     -8.49649806
  H     13.09006519     12.56055709     -9.58738152
  O     12.60181873      9.07409077     -9.90293411
  H     14.98414588      7.60997399     -7.65406413
  H     16.73869732      5.01088234    -14.61429732
  O     14.32304671      7.82750468    -15.30620719
  H     16.97382951     11.04825962    -15.61244689
  H     18.01843309      5.86554345    -14.72502251
  O     18.63518612      7.80328021    -14.41516900
  H     17.14285543     12.09999442    -16.73568516
  H     15.69865056      8.17326489    -11.52592350
  O     20.74819086      9.50212737    -13.72123908
  H     12.82434409     10.01118296     -9.84235639
  H     15.40644376      7.44490159    -10.17915118
  O     18.15347247      6.48628344    -11.97335059
  H     13.26920259      8.61248189     -9.38136896
  H     18.54308060     13.70894885    -11.17288618
  O     11.61893492      8.04782050    -12.19522282
  H     14.49731836      6.99905689    -15.76115507
  H     18.09751663     12.23567755    -11.32330174
  O     15.94828085     13.16076635    -13.56215311
  H     14.15206412      7.54460552    -14.39463098
  H     15.15541351     10.35565416    -12.38996098
  O     12.62914466      9.88615926    -14.14917321
  H     19.43443527      8.33420789    -14.30630947
  H     16.17480098      9.64958584    -13.32149809
  O     13.91208701     11.68868594    -12.51716068
  H     18.44178137      7.43937323    -13.53874716
  H     18.80401086     11.95528893    -14.72616802
  O     13.53974495     11.76123511     -9.84844387
  H     21.66619597      9.60239796    -13.95773329
  H     19.14575162     12.34120942    -13.27625631
  O     17.65518285      5.07037528    -14.31779972
  H     20.32983281     10.37344065    -13.84085125
  H     18.53048279      9.99475688    -10.71780239
  O     15.64311080      7.30180411    -11.10320367
  H     17.28811955      6.69328759    -11.59437130
  H     17.13248427     10.32535031    -11.29804883
  O     18.21225197     13.07419197    -11.80298234
  H     18.01025044      5.78331226    -12.62302904
  H     14.44814978      6.63939646    -12.25216298
  O     15.87156512      9.70811906    -12.40727139
  H     10.69328589      7.86226447    -12.06104459
  H     12.97138981      6.87530720    -12.67089757
  O     19.48662537     11.87465277    -14.04903057
  H     11.95385551      8.41972328    -11.35903172
  H     19.27892233      7.86898992    -11.31347382
  O     17.80297408     10.63232378    -10.67009011
  H     16.68115772     13.23013250    -12.93778456
  H     20.15502380      8.96282924    -11.96146885
  O     13.79212463      6.44196816    -12.93639820
  H     16.33781534     12.85121615    -14.38895971
  H     16.58261505     10.60046321     -9.27072852
  O     19.70151758      8.72167997    -11.14471505
  H     13.11329071      9.31597912    -14.75574713
  H     15.10896344     11.03665913     -9.04637850
  O     15.82337687     10.49958914     -8.68117458
  H     12.19905727      9.29281868    -13.51908318
  H     14.42363512      4.13352722    -15.20713662
  O     14.86968013      4.95996089    -15.03660792
  H     13.41483321     11.18358443    -13.17620869
  H     14.44700680      5.34020841    -14.24869014
          69
 Energy    -248.06047738425920     
  O     10.31452420      9.67749222    -11.47322892
  H      9.62353217     10.29759434    -11.25841445
  H     15.42550693     11.88477480    -14.82467196
  O     14.27640371      7.33210401    -15.49697739
  H     10.15106464      9.37354030    -12.38520972
  H     16.64383749      7.59215321    -13.60135927
  O     17.83179667     10.03642287    -15.47443934
  H     14.93769957      7.75377039    -14.92321011
  H     16.03704896      8.97844587    -13.16187933
  O     12.64063367      9.50008141    -14.97959261
  H     14.74188592      7.11598625    -16.31283814
  H     11.92068649      6.99340936    -10.73409284
  O     13.29997857      5.60741964    -13.58649947
  H     17.27724881      9.41749883    -14.97238882
  H     10.67499798      7.89778956    -10.83449377
  O     15.71866244     10.38301911    -11.97531228
  H     18.70652845      9.63656484    -15.51346396
  H     18.90425275      6.44817027    -10.11804987
  O     15.94733715      9.85860677    -17.51131570
  H     13.06086431     10.24612826    -15.42606934
  H     17.73225906      7.30676053    -10.65995408
  O     15.49366881      4.06570407    -12.96860167
  H     13.13047103      8.70993439    -15.24774422
  H      9.81960266      5.27764091    -13.25317330
  O     20.16132578      8.47053896    -15.21177387
  H     12.33623962      5.63971653    -13.55886368
  H     10.61420439      6.23192916    -12.32870128
  O     16.07487512      6.98191350    -17.61280095
  H     13.59313929      6.15762976    -14.32769359
  H     19.34035455      8.18241198    -11.95497473
  O     18.19850256      6.51029272    -15.97216456
  H     14.75396918     10.30113519    -11.95115289
  H     19.10239371      9.65209130    -12.32611356
  O     16.17295841     11.92058774    -14.21657278
  H     15.91650715     11.03200340    -12.66687091
  H     17.89265476      6.12857394    -12.48489864
  O     16.20802606      8.39726457    -13.91246902
  H     16.70278417      9.99553262    -16.92143574
  H     16.79754272      5.25533707    -13.17537177
  O     10.95520163      6.97544617    -10.77725329
  H     15.92575161      8.90949777    -17.67542507
  H     15.41640674      7.68497693    -10.60490360
  O     18.57177830      6.87253333    -10.90364225
  H     14.66061758      4.51117078    -13.19166726
  H     16.16912574      9.01425759    -10.78737956
  O     10.52562459      5.91876884    -13.24730126
  H     15.26265493      3.17002450    -12.73762077
  H     13.89858293     12.17738516    -16.85370231
  O     19.62351840      8.88434389    -12.55776535
  H     21.09604247      8.56594721    -15.37388614
  H     14.74948907     10.88936639    -16.77165015
  O     17.43494380      5.97038299    -13.31852550
  H     20.03256090      8.57148808    -14.25239011
  H     13.50284758      8.11208247    -11.62975464
  O     16.25709738      8.12476849    -10.41991136
  H     16.15561443      6.41464593    -18.37465143
  H     13.68637425      6.63392533    -12.05441218
  O     14.14667946     11.46633401    -16.26833690
  H     16.85272993      6.80679248    -17.05279448
  H     12.14265267      9.88539094    -11.85607758
  O     13.73719456      7.23248498    -11.29841744
  H     18.92465916      7.12911377    -15.83399971
  H     12.91705869      9.71736260    -13.18911811
  O     13.02594133      9.78069069    -12.22925892
  H     17.96233045      6.19500533    -15.08901338
  H     10.23575595      7.72139579    -13.89473111
  O     10.14110349      8.67669152    -13.99168329
  H     16.88297070     11.44160339    -14.66588995
  H     10.92847844      8.98386634    -14.46239243
          69
 Energy    -248.06036587561573     
  O     13.55320127      7.04760788    -14.32935596
  H     14.33853156      7.61770105    -14.33724948
  H     17.04161346      6.36924684    -16.53161027
  O     17.77374309     11.79468721    -12.13917770
  H     13.67821984      6.36922728    -15.00360225
  H     14.48504068     12.43832546    -17.50041846
  O     17.13295959      7.85337279    -17.71045080
  H     16.85789053     11.46416179    -12.17300883
  H     13.98114746     11.05126295    -17.03111591
  O     11.95271044      9.32232991    -14.39432996
  H     17.72824755     12.70448386    -11.85818702
  H     16.41010337      7.96282777    -13.76308340
  O     16.24111078      8.00437241     -9.72988565
  H     17.74460675      8.00355621    -18.42680682
  H     15.67247284      9.30278353    -13.38991546
  O     13.62586448      6.34040854    -11.68637543
  H     17.07904326      8.68454321    -17.20996615
  H     20.67847226      8.07001346    -13.04647245
  O     15.29870881     10.73036506    -12.29364243
  H     11.52799540      9.38063015    -13.53066331
  H     19.49316931      8.95662020    -13.49984109
  O     14.25960897      7.53758391    -17.89171219
  H     12.43721939      8.48398296    -14.39365958
  H     10.44054475      5.84514314    -11.30041245
  O     16.29195776      5.65114211    -10.99943529
  H     16.99191392      8.54890858    -10.01392929
  H     11.86834064      6.41794105    -11.26978496
  O     16.78431738     10.07488217    -16.15158199
  H     15.44138915      8.52221782     -9.86251792
  H     18.27059449     10.35889276    -15.02051833
  O     14.19620726      5.16639777    -16.28140719
  H     14.49261366      5.97531955    -11.47740774
  H     18.57441554     10.96785590    -13.63093313
  O     16.82743461      5.63881228    -15.93715058
  H     13.59972295      6.51704398    -12.63984408
  H     18.33225605      7.03613119    -13.17758529
  O     14.65469333     11.74044794    -16.87413644
  H     14.76511883     10.20004738    -11.68815256
  H     17.16058215      6.20396152    -12.54536677
  O     15.77123558      8.62160293    -14.06752664
  H     14.69992212     11.13690852    -12.94150419
  H     18.92721104      8.92916379    -11.37541867
  O     19.73582679      8.18207057    -12.95970260
  H     14.12759908      6.69153356    -17.44879553
  H     18.25908988     10.27958559    -11.08913020
  O     10.93209251      6.64974690    -11.15697858
  H     15.21542076      7.65548791    -17.93743594
  H     12.37505443      9.58970090    -16.28820152
  O     18.92571029     10.37913569    -14.31204060
  H     16.56688797      4.95094924    -10.41385347
  H     13.26516874      8.96733654    -17.40486777
  O     17.50061271      6.58079449    -13.36665316
  H     16.31039627      6.47813880    -10.48084953
  H     13.76579340      8.10094292    -11.07148860
  O     18.40101728      9.40003427    -10.71901879
  H     16.37139489      9.55865804    -15.44050653
  H     12.82632999      9.30740541    -10.97416354
  O     12.83611879      9.78530925    -17.11120231
  H     16.12875287     10.72037065    -16.44387100
  H     13.98073647     11.78494627    -15.07914252
  O     13.73035693      9.02616541    -10.79056251
  H     14.02466962      4.26538350    -16.53886225
  H     13.01314855     10.86692261    -14.30215786
  O     13.62134151     11.61215644    -14.20152280
  H     15.15955111      5.24720656    -16.15230657
  H     10.29318265      9.80725131    -11.28835870
  O     11.02223600      9.33190708    -11.67893867
  H     17.12774373      5.89701803    -15.05600219
  H     10.88228154      8.38928212    -11.48173935
          69
 Ord_Energy   -248.060120    
 O   -5.15292454     -0.590608716       4.13487148    
 H   -5.16593790     -0.767029941       3.17963696    
 H   -5.93226862      -5.10634594E-02   4.30998278    
 O   -3.36117172       2.94450116       2.58816099    
 H   -4.32570505       2.88302732       2.65654325    
 H   -3.15351176       3.86909723       2.40895724    
 O   -7.82072067      -2.26957083      0.987124503    
 H   -7.46606350      -2.61893868      0.154165626    
 H   -7.82748842      -2.99553013       1.62166131    
 O   -8.50041199      0.339835972       1.73945391    
 H   -8.40442657     -0.571360707       1.43221259    
 H   -8.08885098      0.899293184       1.06803226    
 O   -2.56409812      0.420280427       3.52744627    
 H   -3.37571263       3.81965414E-02   3.88238907    
 H   -2.76901746       1.34770203       3.34519148    
 O   -4.04754019      -2.03409886      -2.02010489    
 H   -3.33365750      -2.19524503      -1.37651908    
 H   -3.68316698      -2.20340347      -2.88491130    
 O   -3.81929111      -3.61957097       1.77981997    
 H   -4.29538298      -2.78330994       1.64596629    
 H   -4.36627722      -4.31211233       1.38929307    
 O   -7.52189445      0.983356595       4.17801905    
 H   -7.93514347      0.715497375       3.33606052    
 H   -8.23051929       1.13631177       4.79687929    
 O   -4.80481243      0.343909144     -0.752714157    
 H   -4.00080252      0.830205679     -0.518671930    
 H   -4.56015825     -0.398764729      -1.31815898    
 O   -6.18626547       4.49351120     -0.968846202    
 H   -6.14894629       4.92167425      -9.45487693E-02
 H   -6.65453005       5.08958244      -1.54766059    
 O   -2.62964869       1.75324476      0.170898303    
 H   -1.98007166       1.08613908      0.423548460    
 H   -2.91621757       2.16450286       1.00058579    
 O   -6.11325788       2.84285951       2.60166717    
 H   -6.36994219       2.49952555       1.73332548    
 H   -6.57663012       2.31022906       3.25751138    
 O   -5.31774712      -3.40275073       4.18997860    
 H   -4.61534119      -3.57257962       3.54864264    
 H   -5.27786636      -2.45417118       4.37153721    
 O   -7.41027355      -4.42947292       2.82159543    
 H   -8.06657410      -4.79161501       3.41059709    
 H   -6.70417404      -4.05523586       3.38012362    
 O   -5.90675402       5.45715475       1.56338489    
 H   -4.96781874       5.64960718       1.67940640    
 H   -6.07635784       4.65322685       2.07383251    
 O   -5.77156973      -5.43865490      0.791787326    
 H   -6.39843035      -5.18601561       1.48853886    
 H   -5.78017521      -6.39178848      0.745609462    
 O   -6.43770695      -3.37682652      -1.10643768    
 H   -5.64393950      -2.94402933      -1.44307494    
 H   -6.13956547      -4.15428305     -0.618707657    
 O   -6.87467813       1.95981395       6.16832487E-02
 H   -6.75623322       2.80260587     -0.393451780    
 H   -6.20705271       1.35724580     -0.297686905    
 O   -1.07567704     -0.269471288       1.36950874    
 H  -0.159860417     -0.261540830       1.63586283    
 H   -1.59960747     -0.108185172       2.17544508    
 O   -3.04584384       5.57193518       1.59529281    
 H   -3.06642151       5.20312595      0.693397999    
 H   -2.39127374       6.26457691       1.59657073    
 O   -2.16768217      -2.41808057     -0.117746919    
 H   -2.58818293      -2.95929933      0.564444721    
 H   -1.74196208      -1.69074607      0.352307886    
 O   -3.30161548       4.32737875     -0.813513935    
 H   -3.01054668       3.41737795     -0.669829488    
 H   -4.24656582       4.29289150      -1.00657916    
 O   -5.26267529      -1.25489724       1.47726464    
 H   -6.16799545      -1.55971444       1.32999277    
 H   -5.04047632     -0.669806123      0.743990958    
          69
 Energy    -248.05998615336637     
  O     -5.10704890     -3.43563456     -1.77343346
  H     -4.51655255     -4.10766039     -2.14323348
  H     -7.31729007     -4.37667633      1.72980669
  O     -7.67241491     -4.40486205     -1.36926512
  H     -5.97715000     -3.83743203     -1.63194754
  H    -10.67070064     -3.86347874     -2.23954631
  O     -5.50393810     -4.10836320      1.83726590
  H     -7.89794740     -4.43216777     -0.43265232
  H     -9.98157744     -4.70555591     -3.34173482
  O     -7.58711482      1.82617860     -0.81111325
  H     -8.45449840     -4.09933462     -1.84537852
  H     -5.13186821     -7.36667366     -1.07269041
  O    -10.06538944     -2.60099588      0.73249679
  H     -4.90779880     -4.01324469      2.57600670
  H     -4.51700450     -8.57445080     -1.82081845
  O     -5.02394367      0.46845771     -3.79631364
  H     -5.48583534     -3.26293057      1.35783721
  H    -10.90087471     -5.86379587     -0.75460226
  O     -8.47601954     -7.25927847      0.94434409
  H     -7.71153409      1.70935634     -1.77094591
  H    -10.24919253     -6.75034027     -1.83212011
  O     -7.77420608      1.21070598     -3.44668608
  H     -7.94745350      2.67906945     -0.58615470
  H     -5.82636760     -3.93132805     -4.87868798
  O     -5.98689596     -2.16991441     -4.06627169
  H     -9.47228104     -3.24913997      1.13861924
  H     -6.25255755     -5.36746747     -4.49085659
  O     -7.14786741     -6.48025520     -3.12537476
  H     -9.48917408     -1.91960871      0.36261377
  H    -12.61752504     -3.91843378     -0.57418552
  O     -4.99086808      0.64295670     -1.06776907
  H     -4.92871184      0.51197982     -2.82818418
  H    -11.17111430     -3.53980428     -0.16984341
  O     -8.22673308     -4.53091899      1.44234942
  H     -4.26421040      0.90981237     -4.16671567
  H     -8.06895405      0.05105617     -0.43620935
  O     -9.98720499     -3.83594507     -2.92307375
  H     -8.77472578     -8.00576021      1.45715006
  H     -8.28316732     -1.14494447     -1.39488960
  O     -4.91698004     -7.71974548     -1.95489220
  H     -9.15306485     -7.10142738      0.26218151
  H     -4.20390643     -5.23495098     -3.87299228
  O    -10.39406053     -6.67558307     -0.88157863
  H     -8.19439022      0.33947463     -3.46295075
  H     -3.95571831     -6.23356641     -2.72258346
  O     -5.62914779     -4.86474768     -5.02885107
  H     -6.86067970      1.06195408     -3.72212644
  H     -8.82757394     -6.63488492     -3.58340987
  O    -11.70244351     -4.12847933     -0.73761152
  H     -5.59689271     -1.28934137     -4.12991735
  H    -10.02071999     -7.04894340     -4.47805078
  O     -8.17754817     -0.90761530     -0.46210341
  H     -5.60661626     -2.57355069     -3.27138142
  H     -6.53039402     -1.54512533      0.12053521
  O     -3.68622929     -5.37385862     -3.06547947
  H     -7.28889315     -5.81264655     -2.43726942
  H     -5.31379788     -2.33111321     -0.45222619
  O     -9.79202831     -6.55884733     -3.69290464
  H     -6.40709835     -7.02292168     -2.82938754
  H     -7.67341001     -1.78790903     -3.54990629
  O     -5.62155171     -1.81658788      0.31341265
  H     -5.03361880     -0.14492737     -0.51364656
  H     -9.13251567     -2.23394276     -3.23717856
  O     -8.51858498     -1.49194837     -3.17977007
  H     -5.79142162      1.14588062     -0.86984488
  H     -5.54336265     -5.83611016      0.84175653
  O     -5.70660736     -6.68751775      0.42250162
  H     -8.37151691     -5.48578051      1.43411227
  H     -6.62887789     -6.91340798      0.59902654
          69
 Energy    -248.05953719831865     
  O     11.79311825     11.01135683    -12.04690125
  H     10.88517368     11.29984595    -11.99668514
  H     14.64512548      8.17622990    -17.18423634
  O     15.84192715      7.35243832    -14.65103889
  H     11.94917329     10.73540397    -12.96792561
  H     19.24589019      8.27398037    -15.14908951
  O     18.31760494     10.18610087    -12.43065919
  H     15.54675577      8.23353323    -14.37113066
  H     20.34470556      8.11559945    -16.20885852
  O     17.21735797     11.63168661    -14.54397095
  H     15.40249797      7.17072927    -15.48926182
  H     14.77850049     13.21760014    -13.52511912
  O     12.08795149      7.56623757    -15.22609438
  H     18.36247263      9.31027656    -12.84030892
  H     15.11444319     14.46587825    -14.37218394
  O     17.71258347      7.54294880     -9.07460917
  H     18.06122800     10.80046145    -13.13152273
  H     15.80729754     10.43220726    -14.23439573
  O     15.13199411      6.12350671    -12.28073267
  H     16.60724633     12.38106986    -14.56318178
  H     15.23290889     10.01551701    -12.86987750
  O     15.80021224     10.50889497    -11.18717648
  H     17.48043328     11.41714318    -15.44798460
  H     13.31776782      8.39161935    -10.57589494
  O     17.99886521     10.60673300    -17.03016627
  H     12.81711087      7.37002302    -15.82726684
  H     12.27820977      9.31921901    -11.26994799
  O     17.89784729      6.04713178    -11.53808518
  H     12.22398508      7.03846536    -14.42988579
  H     12.31329221      7.03405147    -12.09110183
  O     15.26911926      9.76328066    -17.40789986
  H     18.02783125      7.22386994     -8.23281150
  H     11.63009159      5.67932999    -12.38742258
  O     14.34533909      7.26845049    -16.98912106
  H     18.26392585      8.30901468     -9.30881819
  H     18.39671668      7.07913740    -12.93750474
  O     19.58329861      8.64304597    -15.98089120
  H     15.40859807      6.48861026    -13.13419919
  H     17.53434548      7.55210206    -14.12878236
  O     15.16110527     13.51356548    -14.37090319
  H     14.18091917      5.98299097    -12.36465292
  H     19.63797700     10.45891669     -9.50132728
  O     15.15676366      9.85268270    -13.81846202
  H     16.70908679     10.42289492    -11.50340818
  H     19.00202985      9.92059615    -10.79170395
  O     12.46387500      8.40536249    -11.02564847
  H     15.56910563      9.67519943    -10.75523112
  H     13.18411281     11.37604193    -15.80894176
  O     12.34360276      6.24776731    -12.66618061
  H     18.45488983     11.00997802    -17.76476915
  H     14.23103526     12.50029297    -15.73576002
  O     18.38678277      7.68930511    -13.68848532
  H     18.57542126      9.89809808    -16.69583447
  H     15.16965085      7.36452647    -10.92830541
  O     19.21202377      9.69023409     -9.87258478
  H     16.96859093      5.86529973    -11.73137130
  H     15.95985616      7.83247535     -9.68326857
  O     13.81681865     11.87644968    -16.34241327
  H     17.90720572      6.47061251    -10.67195334
  H     14.77570393     11.98604034    -11.59746240
  O     15.16928591      8.01138535    -10.20712078
  H     14.75557451     10.53020664    -17.11446520
  H     13.29713353     12.17370109    -11.96786128
  O     14.15957152     12.60320570    -12.01640692
  H     16.19678503     10.01008655    -17.33829445
  H     13.44618149     10.08542194    -14.30267741
  O     12.50609355     10.17412039    -14.52470638
  H     14.30815530      6.80727591    -17.82223094
  H     12.21828424      9.29826402    -14.81980641
          69
 Energy    -248.05947968400946     
  O     13.54508320      9.05372152    -10.93091181
  H     13.56916495      9.70451924    -11.64433602
  H     19.14779661      4.90940329     -9.99364405
  O     13.51624343      9.93590144    -16.82450686
  H     14.24259524      9.23305912    -10.28656124
  H     12.56645517      7.58712315    -10.64023238
  O     16.36357021     11.04132531    -13.34747127
  H     13.20184786     10.73947442    -16.39118221
  H     12.19194128      6.30329268    -11.39849238
  O     14.35791860      4.16697743    -12.97119194
  H     13.28323446      9.20874554    -16.23386092
  H     18.84260701      8.10672740    -12.67949690
  O     15.59267298      8.78138760     -9.04779526
  H     16.70537668     11.08726044    -12.44533095
  H     18.68507069      8.36007890    -14.19283277
  O     15.70442643     12.65091378    -15.56470498
  H     15.43395918     10.77968692    -13.29335947
  H     13.96519841     12.54779602    -15.39486913
  O     15.46283833      7.32273904    -12.11844366
  H     14.78974255      4.25634130    -12.11128950
  H     12.52064875     13.10730643    -15.37151593
  O     13.64531883     10.37845659    -13.33087435
  H     15.06430245      4.14970952    -13.62808613
  H     14.10879257      7.67894814    -14.89686303
  O     17.27126333     10.82712476    -10.73639747
  H     15.15528052      7.96355486     -8.77538609
  H     12.74920134      7.30956603    -14.26787849
  O     18.61375884      5.11961952    -13.08494592
  H     16.39289471      8.50475634     -9.50812949
  H     16.24161457     10.52065127    -18.37291186
  O     16.45431156      4.49617900    -14.87301960
  H     15.95851450     12.04895842    -16.27504532
  H     15.19625544     10.23616435    -17.26880152
  O     18.43417359      5.36353573    -10.43239559
  H     16.06360875     12.26381955    -14.75412267
  H     11.46106370      5.25641867    -13.54107759
  O     12.30720652      6.66109122    -10.51177672
  H     15.44103896      6.46532261    -11.67209748
  H     12.96379191      5.19082657    -13.18912049
  O     19.12922424      7.79810661    -13.54488721
  H     14.74239260      7.85767053    -11.76442894
  H     13.81289578      5.98192935     -7.78767203
  O     13.02847242     12.30679968    -15.27517499
  H     13.46480218      9.55350720    -13.80513864
  H     13.45613703      6.36049857     -9.24530806
  O     13.20729574      8.00462914    -14.75495171
  H     13.31645866     11.09579615    -13.88611507
  H     16.60459089      5.00807413    -10.45273536
  O     16.12208477     10.49274837    -17.42738483
  H     17.65847640      9.94090028    -10.78479418
  H     15.20504800      5.31115094     -9.82892362
  O     12.20034309      5.79144060    -13.26153472
  H     16.71059408     10.80424300     -9.95934885
  H     18.15924890      7.22759160    -10.61363058
  O     14.19274889      6.27556051     -8.61161836
  H     17.93642828      4.80649530    -13.69293812
  H     17.01489979      7.88475502    -11.41900670
  O     15.65298020      4.96769106    -10.61316534
  H     18.85640266      6.01385228    -13.37120241
  H     16.42539088      7.86943987    -15.04843504
  O     17.80823998      8.08153045    -10.89477364
  H     16.56009025      4.14423481    -15.75328679
  H     15.72548218      7.18232511    -13.84452281
  O     15.82960635      7.14764537    -14.80973815
  H     16.23928324      5.44031973    -14.97032131
  H     17.13910504      9.70718805    -16.06802023
  O     17.45126550      9.34424626    -15.23024038
  H     18.54285699      5.20495453    -11.39026799
  H     17.13461423      9.94646573    -14.53927897
          69
 Energy    -248.05934816975935     
  O     18.82577702     10.89040591     -8.07643956
  H     18.93522474     11.68777080     -7.56524697
  H     18.81840216      7.79904653     -6.84261521
  O     17.12815683      5.70437530     -9.55496579
  H     19.61401340     10.80964373     -8.64371992
  H     17.67066465     10.51120235     -9.45902476
  O     18.14162853      4.53185892    -12.71428180
  H     16.58172433      5.32589798    -10.25549738
  H     16.34125587      9.90829881    -10.03123373
  O     18.60760298      7.19768238    -13.46652043
  H     17.64798388      6.41528507     -9.95883355
  H     20.89887141     10.61913098    -10.69666875
  O     21.80458016      6.37425834    -11.68284685
  H     17.22155226      4.50835299    -12.42065106
  H     21.09369744      9.57284719     -9.58424598
  O     15.55069920      4.88826001    -11.67403111
  H     18.27907835      5.41293270    -13.08693142
  H     17.11303802      9.79809173    -13.71423204
  O     21.30187765      8.06484659    -13.69307373
  H     19.48655039      7.52948069    -13.68399520
  H     16.23394112      9.41125609    -14.93056228
  O     20.25096612      6.53878572     -7.02349090
  H     17.95120691      7.80885348    -13.82587774
  H     20.66084804      3.08291431    -11.54205112
  O     13.60601567      5.61091458     -7.54908220
  H     21.67796482      6.83673830    -10.84281843
  H     19.54864943      4.12461354    -11.79131100
  O     20.98006195      7.77477239     -9.42821296
  H     21.36849443      5.51874661    -11.58443518
  H     13.89645972      9.22477496     -9.48024646
  O     18.54671295      7.77441840    -10.72165194
  H     14.79053742      4.57565667    -11.16462764
  H     15.10773777      8.38961440     -9.00999622
  O     18.07499196      8.41370159     -6.80922155
  H     15.35620022      5.80072058    -11.94076604
  H     15.57540908      8.11164843    -12.84540324
  O     17.22614298     10.21712222    -10.26457071
  H     21.84279983      7.82351503    -14.44029041
  H     14.99434531      8.07737888    -11.40955253
  O     20.92020466     10.51354795     -9.73968727
  H     21.52466126      7.44329611    -12.97404086
  H     21.04211658      9.72664011    -12.98893316
  O     16.64396990      9.06063286    -14.14482528
  H     19.97933362      5.76761909     -7.55495822
  H     21.49231589     11.20109601    -13.03701268
  O     20.37231935      3.95849631    -11.29762162
  H     20.72889688      6.19885311     -6.27203304
  H     16.51447771      7.72796998     -7.33796339
  O     14.79429531      8.99330104     -9.70452288
  H     13.58298330      5.23230601     -6.67296748
  H     16.22471682      6.64218788     -8.40013754
  O     15.11326143      7.55397145    -12.20991996
  H     14.35366183      6.22895836     -7.54605400
  H     18.99220521     10.89138756    -12.77346983
  O     20.86578736     10.60858567    -12.62621407
  H     20.85742335      7.38042221     -8.55690032
  H     17.72219562     10.80812500    -11.89846689
  O     15.79637769      7.28503588     -7.81184281
  H     20.11506653      7.74714023     -9.86940838
  H     18.56235139      4.81865116     -8.88053280
  O     18.03011186     10.93911987    -12.80753791
  H     18.09606915      8.61990288    -10.60294113
  H     19.87159285      4.29184349     -9.47999571
  O     19.45821990      4.53665764     -8.64422209
  H     18.54727978      7.56462715    -11.66440351
  H     12.51267428      4.03485820    -10.12062725
  O     13.42945251      4.26803702     -9.99578114
  H     18.38490278      9.24329399     -7.19031566
  H     13.47195666      4.72316370     -9.14062396
          69
 Energy    -248.05932884900628     
  O     16.93272562      6.81679678    -12.84514296
  H     17.47144200      7.45626410    -12.35919393
  H     17.01912679     10.85224573    -16.62599152
  O     16.72626203     11.21555734    -11.18344095
  H     16.11329349      6.68848720    -12.34570632
  H     16.20771730      8.09401011    -13.86710268
  O     14.07876097      5.00168908    -15.66551524
  H     16.38851721     11.20021229    -10.28031648
  H     15.15414465      8.37193528    -14.97360234
  O     13.60274191      9.31409203     -9.15587711
  H     15.97259014     11.15155300    -11.78753447
  H     10.67604718      8.05061205    -14.17600733
  O     14.47734262      6.75152658    -11.54944343
  H     13.96804110      5.94859648    -15.86103880
  H     11.89194872      7.15905404    -13.81996840
  O     14.80384581     10.98661278    -13.15807232
  H     13.80685695      4.52561470    -16.44673001
  H     17.73340283      8.44245635     -9.82704883
  O     17.05323980      7.61673912    -17.42219719
  H     13.91442427      8.41967413     -8.96876929
  H     16.88767290      9.21568207     -8.79018706
  O     14.98930522      6.81975706     -8.81791968
  H     13.29543060      9.31079830    -10.07199749
  H     13.10264379      5.25315605    -14.05579690
  O     18.09485246      9.63313615    -15.77075810
  H     14.07422717      7.62054208    -11.68549862
  H     13.26565886      5.87394232    -12.64976742
  O     16.86595656      5.65059973    -15.44871722
  H     14.61551486      6.65085848    -10.59902876
  H     17.75521798     12.15375204    -12.40341367
  O     19.80957018     10.28851930    -13.61126168
  H     15.18001839     10.21746088    -13.61775430
  H     17.48706554     12.69050645    -13.82000383
  O     16.24427410     11.34381945    -16.93657128
  H     15.01615752     11.75661763    -13.69888025
  H     18.93773505      9.24522971    -12.23991459
  O     15.81018413      8.79205092    -14.40481410
  H     17.01484274      6.87054549    -16.80634961
  H     17.69987118      9.70378442    -11.45699997
  O     11.62664462      8.05518750    -14.10082007
  H     17.62542981      8.26862677    -16.99706419
  H     15.65942176     11.33913409     -7.81575002
  O     17.22818641      8.33954814     -9.01138847
  H     15.84085114      7.29140098     -8.86268022
  H     14.95479766     10.33614547     -8.76268889
  O     12.61144431      5.65301707    -13.32717832
  H     15.06310497      6.17893455     -8.11639992
  H     15.66121422      8.50600171    -17.92398875
  O     18.19544547     12.43632857    -13.21791154
  H     18.77886638      9.79943013    -15.11391513
  H     14.76019093      9.06263026    -19.05318815
  O     18.27499535      8.93892512    -11.60996600
  H     17.30847088      9.34410547    -15.28122770
  H     13.62467450      9.90609285    -12.32778340
  O     15.79180451     10.80526928     -8.59403744
  H     17.02132929      5.93872862    -14.54019559
  H     12.50148584      8.88665235    -12.63191164
  O     14.87803515      9.06064629    -18.10707999
  H     15.98151152      5.26684012    -15.45411513
  H     15.60808151     13.86200676    -15.12382873
  O     13.10315596      9.18804204    -11.94105571
  H     19.29646945     11.10984545    -13.49891680
  H     15.95342439     12.44164599    -15.63032857
  O     15.84211505     12.98584520    -14.82994854
  H     20.72927661     10.53932946    -13.63483916
  H     13.91676221      8.27107770    -16.74063332
  O     13.73131689      7.71286899    -15.97379513
  H     15.68064439     10.68928405    -17.36191225
  H     12.95856844      8.03548533    -15.49469472
          69
 Energy    -248.05930099451038     
  O     15.92922388      3.10975894    -11.68114002
  H     16.58135173      2.42171042    -11.57905275
  H     12.99467650      9.11643461    -13.83295323
  O     14.46284032      9.80268182    -16.31806389
  H     16.39549707      3.86872333    -12.06540294
  H     16.63607831      9.82385503    -12.19585686
  O     17.20279907      9.91393902    -13.88474086
  H     14.89137717     10.59838955    -15.97886014
  H     16.42938269      8.84683508    -10.98961695
  O     14.76006353     11.81449163    -10.38081722
  H     15.12190901      9.10218325    -16.24288842
  H     14.75430726      8.94968232    -12.16662634
  O     11.00201069      7.22305821    -13.24119206
  H     16.83180014     10.71406471    -14.27761362
  H     13.37735101      8.26271116    -11.91245975
  O     12.23785921      4.83916231    -13.59849937
  H     16.89175740      9.17664579    -14.42894323
  H     13.06228251      4.50293451    -11.90481139
  O     16.63661935      7.09224070    -10.49999281
  H     15.22899542     12.27364903     -9.68896774
  H     14.32513157      3.86322125    -11.26993394
  O     12.13497805     10.68086893    -10.47265733
  H     15.32366655     11.07143232    -10.65795342
  H     19.54740392      8.30892769    -12.28853604
  O     18.74403277      6.36907972    -14.71979194
  H     11.31415125      7.94504134    -13.80014143
  H     18.86554328      9.12115279    -13.42457930
  O     14.09713860     12.63471608    -13.02767082
  H     11.19900146      7.47386190    -12.32743524
  H     13.84382847      5.66408641    -14.04956987
  O     11.47292532     11.55937687    -13.12578764
  H     11.72616954      5.66154620    -13.49422862
  H     14.40861151      7.00973295    -13.52708831
  O     12.38805118      9.40753565    -14.53160682
  H     11.67848130      4.22372773    -14.06411252
  H     15.17621632     12.27740659    -14.33000547
  O     16.19917537      9.71836775    -11.33756362
  H     16.73389835      6.50918547    -11.26713329
  H     16.04437773     12.83644361    -15.48202649
  O     14.05019291      8.44264165    -12.58326660
  H     15.79656221      6.87458009    -10.07870646
  H     15.71154204      7.21112864    -15.14970274
  O     13.55705490      4.42140914    -11.08203703
  H     12.99672112     11.09209297    -10.33450633
  H     17.21965259      7.29160826    -15.45449872
  O     19.54944675      8.46370910    -13.24353085
  H     11.81720088     11.01587609    -11.32078647
  H     18.41919545      7.54291149    -10.36902291
  O     14.61913945      6.23560533    -14.07359290
  H     19.12260764      7.10600422    -14.20531381
  H     19.74846918      7.85416056     -9.66531801
  O     15.79197639     12.02891141    -15.04249647
  H     19.46152990      5.97607839    -15.20844964
  H     12.03129449      8.91001922    -10.48980491
  O     16.39287982      7.78282596    -15.53295988
  H     14.34950242     12.46381699    -12.11247575
  H     12.65416547      7.51079294    -10.12203975
  O     19.32115545      7.86352336    -10.51821693
  H     13.17214524     12.36904536    -13.10114701
  H     17.61548458      5.69095568    -13.38207089
  O     12.05848348      7.96857332    -10.72642150
  H     11.72473120     10.80524706    -13.68620135
  H     16.07458109      5.66529738    -13.22233505
  O     16.90776826      5.47105007    -12.76521307
  H     10.63461158     11.87646871    -13.45149115
  H     13.98559603      6.11987842     -8.51268336
  O     14.08057031      6.44271077     -9.40540148
  H     12.95479919      9.54576234    -15.30275063
  H     13.86919716      5.69399097     -9.99555970
          69
 Energy    -248.05928413778230     
  O     11.48499971     10.32128002    -13.66588083
  H     10.59169254     10.45744638    -13.97178505
  H     20.41221265     11.42161308    -14.07218621
  O     16.92684959      7.33931606    -14.22376333
  H     11.97694215      9.92058581    -14.40573168
  H     14.50057511     12.78093645    -14.75849859
  O     17.90312706     10.89187996    -11.44682286
  H     16.34976452      8.11913245    -14.16334718
  H     14.92801518     13.92658169    -15.70061089
  O     13.48897576      6.56898712    -16.02964179
  H     16.82269404      7.00433797    -15.12240103
  H     16.05523223     10.15977555    -14.64001499
  O     16.11359116      8.00872769     -8.28379879
  H     18.08030076     10.03080176    -11.85694856
  H     15.28723412     10.05972958    -13.28486504
  O     15.52299974      6.22844196    -12.12614462
  H     18.39589095     11.50742066    -11.99554386
  H     12.87600320      8.24105502    -11.46764242
  O     15.12223880     10.86771231    -11.64121586
  H     14.41748462      6.52896846    -16.28929859
  H     11.92252324      8.83146891    -12.54003250
  O     17.21617719     11.20515738    -15.53393497
  H     13.42198338      6.19805240    -15.14103158
  H     18.79261830      6.72838009    -10.39569022
  O     17.28200092      5.99380989     -9.97624720
  H     15.98698254      8.07613798     -7.34137347
  H     20.33964620      6.70968556    -10.35728519
  O     16.35770608      9.38066902    -17.52019099
  H     16.89192271      8.55101967     -8.50394867
  H     12.66616823      6.54784484    -12.92484980
  O     16.25112419      6.76197191    -16.85995663
  H     16.07218036      6.52932919    -12.86370753
  H     12.40047061      5.04297338    -13.16205476
  O     19.49281646     11.27528948    -13.86308490
  H     14.69137747      5.92198803    -12.50903258
  H     19.24009817      8.16982543    -12.15593400
  O     15.07353395     13.00271987    -15.51372646
  H     16.06721539     10.99418309    -11.48630530
  H     18.29721112      8.18135724    -13.39844942
  O     15.45457404      9.60689950    -14.11988318
  H     14.87036999     10.04475920    -11.19831868
  H     18.89249225      8.69728081     -9.52075583
  O     12.18888310      8.01255074    -12.10661831
  H     16.61832624     11.96618120    -15.52822013
  H     18.20369745     10.05249364     -9.76153595
  O     19.59140652      7.24977893    -10.59667644
  H     17.99522374     11.40202750    -15.00184066
  H     13.59534727     10.41498481    -16.88502104
  O     13.03903322      5.73535269    -13.31297770
  H     16.66278664      5.92476415    -10.71649962
  H     14.36741085     11.74306687    -16.89921479
  O     18.91417118      8.71785490    -12.88145582
  H     16.83784663      6.52654349     -9.30575937
  H     14.91391182      7.67067930    -11.14235092
  O     18.33228013      9.36156633     -9.09990551
  H     15.54222271      9.87422101    -17.68689692
  H     14.96447750      8.27989951     -9.72106350
  O     14.08818874     11.01383399    -17.46356233
  H     16.86722582      9.95788744    -16.93901684
  H     14.04202482     11.95811722    -12.66239533
  O     14.55504763      8.37927942    -10.58919478
  H     16.57141916      6.24668918    -17.59517455
  H     12.74523007     11.74988101    -13.45980596
  O     13.51385293     12.32744472    -13.38375133
  H     16.28029958      7.69557156    -17.14096004
  H     13.92151214      9.37330451    -15.05182287
  O     13.09485259      9.22742691    -15.53565930
  H     19.41552000     10.34181504    -13.60271203
  H     13.10165957      8.29832220    -15.80468075
          69
 Energy    -248.05926451848757     
  O      1.44420412      0.47647740      4.84575486
  H      0.78232025     -0.16514321      5.16243175
  H     -2.75400268      1.15103045      5.09630055
  O     -0.46941755     -1.23095554      5.68327551
  H      2.03345175      0.64189449      5.57729997
  H      0.00360779      1.96059067      0.82243129
  O     -0.84652167     -0.20731070     -1.31494886
  H     -0.65357650     -2.12224822      5.36665732
  H     -0.46758482      2.54091127      2.19816956
  O      1.69182103     -3.31667560     -1.28199576
  H     -1.28861828     -0.73235441      5.54637765
  H     -2.44639857      0.62943550     -1.38263844
  O      3.44453505     -2.22021996      0.60016364
  H     -0.05478642      0.15986114     -0.90827126
  H     -3.26658520      1.85227092     -0.88054131
  O     -4.28506824      2.86037087      2.77359113
  H     -0.87894384     -1.13183449     -1.04027936
  H     -1.66984171      0.77995035      1.85158388
  O     -3.51169467     -3.44740045      3.16199953
  H      2.07251789     -3.16507783     -2.14401785
  H     -2.86192998     -0.21285734      1.67094194
  O     -0.08803532      2.72295566      3.88367340
  H      2.32530693     -2.95277969     -0.64412833
  H     -0.02117953     -3.14735202     -0.73225165
  O     -5.98419138      0.61307626      2.34728415
  H      3.00117875     -1.66184042      1.25659582
  H     -0.63727984     -2.67167428      0.60597764
  O     -4.94652020     -1.32494329      4.20882937
  H      4.17714079     -2.62732787      1.05747350
  H      1.16097242     -1.20330633      2.27433935
  O     -3.01920014      3.38271997      0.26403169
  H     -4.90249888      2.12587349      2.66912134
  H      1.90089457     -0.17508578      3.15874065
  O     -2.69874006      0.20644565      4.91147251
  H     -3.94988014      3.06717677      1.89312653
  H     -3.07343173      3.65952199      5.56239882
  O     -0.75505271      2.31677849      1.29862471
  H     -3.56663431     -3.42395225      2.20190684
  H     -3.28841890      2.99904245      4.17993694
  O     -3.34476679      0.98469663     -1.29316891
  H     -4.09112237     -2.74980993      3.50408801
  H      2.20334323      1.15369190     -0.35813771
  O     -2.08544029     -0.01400464      2.20950711
  H      0.38609087      1.98372039      4.28194143
  H      1.61640394      0.43972768      0.87698507
  O     -0.85449226     -2.89415352     -0.31224538
  H     -0.92074659      2.82798867      4.36159548
  H     -2.04092930     -3.64192821      4.00616874
  O      1.92895654     -0.60948539      2.29817528
  H     -5.44955540      0.14231011      1.68314867
  H     -1.02913398     -4.59184323      4.69032835
  O     -2.71481397      3.00593247      4.96855905
  H     -6.87590126      0.64265105      2.00969445
  H     -0.53133880     -2.71196422      2.98448629
  O      1.38578347      0.97287214      0.09929469
  H     -4.23533989     -0.81988142      4.62622272
  H     -0.97709878     -1.38736030      2.28516232
  O     -1.14787870     -3.69328013      4.39665377
  H     -5.42095665     -0.68842686      3.66279298
  H     -2.57409709     -3.20938075     -0.02551660
  O     -0.32923317     -2.10922831      2.25889243
  H     -2.16492640      3.06364054      0.60610820
  H     -3.88001613     -3.99189910     -0.28653638
  O     -3.50358175     -3.29582197      0.24639807
  H     -2.86558402      4.25708100     -0.08535726
  H     -4.04400413     -0.09867243     -0.14195724
  O     -4.31969886     -0.63893075      0.61668928
  H     -2.49569705      0.12989122      3.96594946
  H     -4.12927326     -1.56364002      0.42328228
          69
 Energy    -248.05924367819335     
  O     14.28769643      9.07147223    -10.18758083
  H     14.08776358      9.98029409    -10.44366637
  H     18.32652738      6.19937367    -15.32488919
  O     16.50828176      5.11891612    -12.95790204
  H     15.23415530      9.06031591     -9.97163985
  H     15.46043456     11.34822525    -14.76760784
  O     13.78388625     11.61567263    -11.40202400
  H     15.64745625      4.74249601    -12.73511569
  H     15.52449916     10.10754316    -15.69466137
  O     16.12185842     11.84847284    -13.16851778
  H     16.70775140      4.88631130    -13.87243599
  H     15.05582242      8.06203423    -12.97057361
  O     11.25391562      7.28730408    -15.99139746
  H     13.37847382     12.41596831    -11.07549982
  H     16.19405788      7.00089995    -13.04600968
  O     13.04882495      6.05598620    -14.17787556
  H     13.33430407     11.39719323    -12.23516246
  H     14.56060463      7.13391473    -10.06910861
  O     12.77410968     10.73943614    -13.82872523
  H     15.46447571     11.85164851    -12.46497114
  H     15.82920496      6.28749992    -10.26887544
  O     13.06152962     10.11328702    -17.38921888
  H     16.82812098     11.25867307    -12.86991854
  H     18.49818951      6.82219473    -11.29891059
  O     17.01647998      4.77652498    -15.69708182
  H     11.73448996      6.75675423    -15.34324266
  H     17.42211627      5.76674931    -11.50025644
  O     16.36875208      8.48962329    -15.82193420
  H     11.78016236      7.25655525    -16.79987245
  H     13.60784569      3.65657390    -11.58864454
  O     14.77146777      6.19590929    -16.38975222
  H     13.23053611      5.35256730    -13.54493828
  H     14.17587539      5.07442400    -11.34785717
  O     18.72848257      7.04967868    -15.11530496
  H     13.06683439      6.87207589    -13.65321975
  H     17.12591857      9.17483967    -12.57202452
  O     14.99719534     10.89104825    -15.48606265
  H     12.00170036     10.55590572    -14.37765856
  H     18.64186150      9.28726369    -12.41310056
  O     15.98644843      7.93179568    -13.18855341
  H     13.53941338     10.80185299    -14.42059974
  H     19.37630308      7.41884477    -13.50040275
  O     14.86740050      6.23351311    -10.22668170
  H     13.76197419     10.50403258    -16.85028892
  H     20.63214976      7.59685199    -12.62065304
  O     17.78065812      6.37137790    -10.83468422
  H     12.24947921     10.20135278    -16.87599528
  H     17.30757384      8.02942085     -9.93984748
  O     13.93968084      4.42863367    -12.03911984
  H     17.16663736      4.03931191    -16.28328650
  H     17.34496383      9.43648692    -10.52408766
  O     17.82901451      9.79602883    -12.32067222
  H     16.22788452      5.24092630    -16.02610774
  H     13.15088440      8.46917203    -17.95424855
  O     19.68017265      7.65512141    -12.60671817
  H     15.84106556      7.78017816    -16.20638638
  H     12.94574911      7.47694639    -19.12302104
  O     16.99972449      8.92947557     -9.77710609
  H     16.27632210      8.36138285    -14.86295211
  H      9.87193646     10.13920172    -15.76914244
  O     13.10332773      7.52331395    -18.18394179
  H     14.20281319      6.13919929    -15.60786010
  H     10.88769652      8.97410647    -15.69536398
  O     10.79149623      9.94005025    -15.61565170
  H     14.23169943      6.56195103    -17.10198763
  H     13.04889421      9.12715207    -13.06556330
  O     13.28384667      8.29326492    -12.63777299
  H     18.11054400      7.70093177    -15.47121075
  H     13.52724436      8.49467406    -11.72336925
          69
 Energy    -248.05884861322443     
  O     13.66476261     12.34538781    -10.27253154
  H     12.78654009     12.45739510     -9.88819577
  H     13.93895620     13.44902347    -13.10821473
  O     10.68786921     11.62786345    -14.81259233
  H     13.65041312     11.51489598    -10.77146094
  H     12.24889857     15.91054726    -16.85765129
  O     13.63651139      9.95088448    -11.70756691
  H     10.90530536     12.50950754    -14.47613042
  H     13.29889870     14.93968260    -16.26919986
  O     10.99148176     12.53053779     -9.49993621
  H     10.04225727     11.25202209    -14.20126423
  H     14.02310685     11.49395666    -14.43329300
  O     10.92416145      9.98565932    -10.84551324
  H     13.33934416      9.95966061    -12.63052668
  H     14.59788588     12.81298814    -15.06518980
  O     12.90580258     10.06357699    -14.35254400
  H     14.56142622      9.67980982    -11.73162425
  H     17.50158245     11.76311258    -16.07675512
  O      9.08275509     10.68735127    -12.72316595
  H     10.52164490     12.89273502    -10.27278682
  H     17.75629845     11.63912455    -14.55628572
  O     14.97661704     14.47813259    -16.03364411
  H     10.51583733     12.82250696     -8.72713314
  H     11.99035575     13.34899320    -17.06456029
  O     14.38763956     11.22168962    -17.64977116
  H     10.93669358     10.75085371    -10.25728366
  H     11.37628110     12.04530279    -16.53323619
  O     11.29986951     14.20962323    -13.88322294
  H     11.84565122      9.81237101    -11.07549307
  H     17.09100070      9.18029571    -11.51529950
  O     16.58916417     12.72408539    -17.46357252
  H     13.19560806      9.51886431    -15.09478854
  H     16.68821177     10.40724487    -12.35555477
  O     13.66025131     14.10938982    -12.45287802
  H     12.09214033     10.52867574    -14.59110616
  H     16.37267366      8.91054046    -13.97799779
  O     12.34365063     15.10468241    -16.35633669
  H      9.73063469     10.34926895    -12.07929829
  H     16.97774345      9.63406786    -15.19375778
  O     14.57023033     12.27058158    -14.26942582
  H      8.30701436     10.13837475    -12.64861980
  H     14.12107599      7.81691845    -16.82218443
  O     17.88900592     11.19296449    -15.40127352
  H     15.44431683     14.78889938    -15.24447799
  H     15.00391666      8.69476441    -15.89769459
  O     11.92549639     12.40320468    -17.24177117
  H     15.60802074     14.00573000    -16.59165097
  H     16.78393373     12.48533469    -11.96902699
  O     16.41748875      9.51015392    -12.10644488
  H     13.50629199     11.61760978    -17.58448106
  H     16.08575107     12.20082444    -13.35252835
  O     16.40712290      8.89322477    -14.93941964
  H     14.31403597     10.32187293    -17.31417537
  H      9.32560338     12.49679023    -12.09928002
  O     14.16795742      8.67012472    -16.40075506
  H     11.53950564     14.62252016    -14.72181467
  H     10.13052181     13.76036149    -12.46830685
  O     16.93397736     12.18351315    -12.87838652
  H     12.08758655     14.26374985    -13.32213416
  H     15.30754763     14.94617749    -13.04048393
  O      9.67767614     13.31977558    -11.73785811
  H     17.02921791     12.77738114    -18.30767343
  H     16.67319786     14.30931766    -13.31821054
  O     16.11603570     15.05423747    -13.56126555
  H     15.81209413     12.14505503    -17.58512756
  H     15.42107689     12.73858403    -10.16574051
  O     16.36223401     12.92840682    -10.30733584
  H     13.62482309     13.63426765    -11.61419958
  H     16.59681971     13.60217356     -9.67393883
          69
 Energy    -248.05877378912976     
  O     14.32029438      7.95141487    -16.06577849
  H     13.39556423      7.69437028    -16.17644610
  H     11.70702908     11.94169481    -13.23742609
  O     11.33202551      8.38081122    -10.62843655
  H     14.38558213      8.85452958    -16.40349909
  H     15.75684187      9.56631235    -10.53530092
  O     14.44765338      8.69435542    -13.44233391
  H     10.54859563      8.62165484    -10.11593280
  H     16.04308059     11.06943803    -10.88763556
  O     11.92361625     13.83695499     -8.61381724
  H     11.87752222      9.18201695    -10.68173493
  H     15.14143656      8.06100146    -11.96260075
  O     14.33644473     10.76304697    -16.60340024
  H     14.50407292      8.31267135    -14.33165176
  H     16.17310906      7.12484132    -11.29157015
  O     11.66470391      8.23400199    -13.34399254
  H     14.55627446      9.64903797    -13.54244509
  H     12.70722325      7.71727308     -9.55641238
  O     13.30308538      9.32066481     -6.91224108
  H     11.65855719     12.93823742     -8.37930893
  H     14.23736764      7.62172774     -9.69017312
  O     12.85097527     10.70587399    -10.62601720
  H     12.82661786     13.93505722     -8.28498076
  H     15.94918771     13.10923026    -11.60626154
  O     11.52257726     11.08140183     -8.23415831
  H     14.82003308     11.34351012    -17.18600620
  H     17.38851191     12.84980825    -12.11682432
  O     14.90214725     14.16399375    -10.74600732
  H     14.51510109     11.06496676    -15.69774664
  H     10.87236138      9.95232488    -13.73639244
  O      9.36389937      9.48402773     -9.01536126
  H     11.41119559      8.13163472    -12.41684802
  H     10.83121654     10.80032273    -15.01336959
  O     12.46114335     12.36751708    -12.79813505
  H     12.61622519      8.40708464    -13.34357264
  H     14.86875991     12.99867717     -7.76892720
  O     15.63328547     10.47872639    -10.24411079
  H     13.40694208      8.69216957     -7.64897939
  H     15.11441143     14.43020508     -7.23632542
  O     15.54948257      7.82375972    -11.11165364
  H     13.20353278      8.79780300     -6.12118819
  H     15.44519824     11.79455175    -13.40642099
  O     13.52373843      7.63923251     -9.04353384
  H     12.71151914     11.29889518    -11.37530808
  H     13.90783007     11.81857081    -13.60545142
  O     16.52317337     12.45580480    -12.04883844
  H     13.80083932     10.64675130    -10.46820606
  H     12.41995606     10.54345886    -16.72834757
  O     10.65283411     10.83346050    -14.06225230
  H     11.97546598     11.02975614     -9.09108924
  H     11.42168709      9.38172853    -16.59616533
  O     14.67846254     13.94084784     -7.92848416
  H     12.04695587     10.53596211     -7.63502525
  H     14.59682725     10.65052915     -7.27272378
  O     14.73232287     11.43978576    -13.95010414
  H     14.89490416     14.12503037     -9.78074520
  H     15.45410011     10.99754680     -8.50494445
  O     11.47788538     10.34216237    -16.67826739
  H     13.99952452     14.37735696    -11.00744246
  H     11.62955974     15.45094882    -11.31023958
  O     15.19887386     11.31505520     -7.62731926
  H      8.57337720      9.99417328     -9.17589082
  H     11.93905797     14.34059847    -10.27935296
  O     12.07890132     14.61706329    -11.20295650
  H     10.01554730     10.10784814     -8.65805278
  H     10.86717007      6.84566663    -16.17807665
  O     11.49680079      7.53870349    -15.99750968
  H     12.18294881     13.17928758    -12.35968900
  H     11.45548763      7.71082777    -15.04109030
          69
 Energy    -248.05876893838700     
  O     11.75889853     10.70995428    -14.81371953
  H     11.43304764     10.36288174    -13.97458367
  H     18.12965834      9.01446766    -13.55919528
  O     15.47569045      6.23160714    -13.28102664
  H     12.35030276     11.44373928    -14.60396995
  H     16.56756313     11.88060380    -15.60257666
  O     17.49043914     10.30217154    -12.34168166
  H     15.30505031      7.12853738    -13.60699719
  H     15.56329237     11.34770072    -16.65570745
  O     18.15677997     11.47971080    -14.78941218
  H     16.41551038      6.15982564    -13.07365775
  H     15.68555284      8.65214761    -14.97810809
  O     12.31817275      6.36202220    -15.95134076
  H     16.54745367     10.51857967    -12.36734029
  H     14.15931657      8.80183259    -14.98147199
  O     15.14464457      9.00955635     -8.79445885
  H     17.67683465     10.04438752    -11.43153530
  H     10.13376190      9.66512099    -11.85971427
  O     13.63892301      6.56084172    -11.27916143
  H     18.77031692     10.81550061    -15.10378198
  H     11.66480285      9.48779886    -11.75295606
  O     14.76876633     10.72541968    -12.56107046
  H     17.99010319     11.24097442    -13.86569166
  H     17.74542975      7.57952076     -9.94189778
  O     16.81985988      8.11252353    -16.32552420
  H     12.11139815      6.51306679    -15.01126014
  H     17.86463174      6.39981209    -10.93353816
  O     15.15404624      6.14834711     -8.94094282
  H     11.65949076      5.75597468    -16.28012868
  H     12.30653544      6.66198953    -12.61674920
  O     15.18255149      5.87374375    -16.07579574
  H     14.40618179      9.25021007     -9.36734080
  H     11.35288261      7.76410124    -13.10737203
  O     18.52593275      8.33474856    -14.12172712
  H     15.08651543      8.05154278     -8.68819331
  H     18.81899913      5.36877629    -13.05713773
  O     15.68121295     12.01161908    -15.96813868
  H     14.30259369      6.36015536    -11.95688400
  H     18.44281912      6.86056145    -13.23100188
  O     14.92176343      8.74269830    -14.39290838
  H     14.03684249      6.31863829    -10.43444142
  H     16.77293583      9.38499195     -9.33588732
  O     10.91861628      9.49711334    -12.37547159
  H     14.81432863     10.01640372    -13.22468161
  H     18.18792881      9.88317107     -8.96179463
  O     17.57770684      6.63432306    -10.04278048
  H     14.41406615     11.49995627    -13.01350680
  H     14.39383854      9.56938823    -17.42276510
  O     11.74522438      6.92025204    -13.35888220
  H     16.42166499      8.71462692    -16.96643295
  H     15.03577644     10.00326568    -18.76259085
  O     18.24091763      6.05171458    -12.72753430
  H     16.31861904      7.28203153    -16.36421364
  H     13.37393889      8.35938920    -11.01816376
  O     17.68862444      9.46416105     -9.65835960
  H     15.22116618      5.47994121     -8.26479539
  H     13.76926071      9.82940471    -11.39678807
  O     15.21985914      9.87934570    -17.83512919
  H     16.04084413      6.24082466     -9.33555205
  H     13.64828733     13.64134225    -14.22921183
  O     13.18559745      9.29282864    -10.83814533
  H     14.22960595      5.98457146    -16.17304457
  H     14.42472981     12.48610593    -14.90684241
  O     13.73169651     12.69229079    -14.25147621
  H     15.31363812      5.75523772    -15.12542164
  H     12.67010164      8.10872038    -16.40508484
  O     13.02502207      9.00293524    -16.48124430
  H     18.01896824      8.29171785    -14.94474404
  H     12.46834185      9.60897299    -15.96643203
          69
 Energy    -248.05871002864978     
  O     13.36730533      6.99491134    -15.71783476
  H     14.22851299      7.20284881    -15.33204899
  H     11.54764008      6.71384229     -8.92631110
  O     11.65892462      9.21379307    -10.99190666
  H     12.72703425      7.57031992    -15.28065650
  H     13.70261141      4.38514132    -12.58875929
  O     16.93293011      5.60863969    -10.53611020
  H     12.57630898      9.08774701    -11.26964279
  H     13.50824299      3.83584949    -14.02419403
  O     12.24217480      2.19762505    -11.50121484
  H     11.15449178      9.15519547    -11.80710101
  H     12.52377413      5.53949166    -10.80907573
  O     14.46601254      7.46913304     -7.86678845
  H     16.59619762      6.50869696    -10.41612542
  H     12.18861627      5.75980839    -12.29927661
  O     18.23264853      8.64995451    -14.05221873
  H     17.89565914      5.67847646    -10.55648008
  H     11.17492048      7.42421077    -13.71218985
  O     16.42808011      4.98669655    -13.19741847
  H     12.60144728      2.32935032    -10.61422573
  H     12.38655969      8.29796813    -13.30711226
  O      9.93468781      3.61006627    -11.65758958
  H     12.91105152      2.52315474    -12.11711336
  H     20.51504174      5.82243307    -10.77053344
  O     18.44389753      8.74073297    -11.34524968
  H     14.51183975      7.80736793     -6.97663920
  H     19.54400065      6.01475264    -11.96150452
  O     13.06541913      2.89599246     -8.86214295
  H     13.53537810      7.54376910     -8.14804244
  H     14.63164664      8.04508734    -12.90216922
  O     11.26162089      4.95750105     -9.50102270
  H     18.67362085      9.39171469    -14.45720164
  H     13.68907754      7.30686571    -11.90313053
  O     11.93183155      7.57778136     -8.73149563
  H     18.31031611      8.76669396    -13.08812005
  H     14.78552608      5.65257485     -8.34350462
  O     13.97214673      3.67462189    -13.19195897
  H     16.56108428      5.14331899    -12.25075354
  H     15.69143158      4.91130289     -9.34489713
  O     12.91903275      5.75004009    -11.66254967
  H     15.68261868      4.37968194    -13.27824559
  H     15.48793835      8.04973843     -9.29360642
  O     11.60099749      8.27935062    -13.86767691
  H      9.17382059      3.03707038    -11.61603521
  H     15.28480323      8.30990591    -10.81086755
  O     19.65015732      6.14869523    -11.00214658
  H     10.72363406      3.03722923    -11.64539645
  H     18.20741682      5.45555575    -13.64517709
  O     14.03162374      8.18074718    -12.15527192
  H     17.61802074      8.69701542    -10.84539486
  H     18.86911671      6.81547505    -13.94342740
  O     14.96366830      4.78386814     -8.72305114
  H     18.94564391      7.95232751    -11.10385164
  H     15.93386466      6.57728221    -13.90812390
  O     15.95671141      8.19542975    -10.12577960
  H     13.79844883      3.53681930     -8.81052735
  H     16.53286782      7.96017587    -14.27535154
  O     19.05766318      5.91653835    -13.64668093
  H     13.16740775      2.30352833     -8.12227094
  H     12.82777889      5.36185386    -15.62173505
  O     15.70616500      7.46544286    -14.22104477
  H     11.79686738      4.23099695     -9.15384813
  H     12.30884634      4.06554567    -16.29302681
  O     12.46401311      4.47408094    -15.44596741
  H     10.65956244      4.57026937    -10.14780303
  H     10.36371393      4.91838792    -12.91095801
  O     10.80472039      5.58497296    -13.45404499
  H     11.70664372      8.16499821     -9.46580651
  H     11.23838006      5.12515564    -14.18622736
          69
 Energy    -248.05870939326164     
  O     15.82755393     10.29831064    -16.73829343
  H     15.99277377      9.86663776    -17.58399542
  H     20.69861639     10.74704205    -16.58170069
  O     15.62080058     12.66086308    -10.56000785
  H     14.96159470     10.00245067    -16.41687608
  H     17.86668465      8.82934545    -14.51157556
  O     19.54949700      8.95950762    -13.75753980
  H     15.87069998     12.44323536    -11.46989703
  H     16.70086928      9.25406949    -15.48826637
  O     15.47703618      6.51416543    -17.85724176
  H     14.81613028     12.15759273    -10.38738109
  H     13.50711769      9.63096957    -14.68674468
  O     15.67492687      9.32173697     -9.10051262
  H     19.26896991      9.44069975    -12.96622579
  H     13.56759428      8.31328044    -15.50130075
  O     15.23780331      7.87178947    -12.94612678
  H     19.83782392      9.58359296    -14.43489002
  H     16.28351593      7.66504242    -11.54374509
  O     16.39150976     11.47193405    -12.96951122
  H     16.23598995      6.23372056    -17.32947954
  H     17.30549771      6.63432167    -11.04093170
  O     19.42183310      6.16068714    -13.76593190
  H     14.73044025      6.48496723    -17.24744043
  H     12.84142746      5.82084887    -15.60152036
  O     15.63296538      5.32730281    -13.85755800
  H     16.36919182      9.98292508     -8.98771891
  H     14.27913149      5.84247293    -15.05310857
  O     17.48992396      6.11712661    -15.90505729
  H     16.08787930      8.58550850     -9.56932463
  H     16.94149242     11.96907830     -9.64675852
  O     17.77444337      4.99170610    -11.95376631
  H     14.62947789      8.61261657    -12.84271607
  H     18.06526573     11.98538953     -8.58157198
  O     19.93356252     10.40202760    -16.12811586
  H     15.86693405      8.14120679    -13.63564646
  H     17.89287356      9.05194484    -11.26554694
  O     17.00554388      8.57975006    -14.86838007
  H     17.01918383     10.90076938    -12.50922828
  H     18.22165570     10.46118950    -10.71367078
  O     13.56329902      9.27286942    -15.58278061
  H     16.81049858     11.74192676    -13.79898316
  H     12.82967125     10.68494564     -9.52924188
  O     16.96015445      7.51539182    -10.86417752
  H     19.59492244      7.11046971    -13.70313484
  H     14.25980773     10.14243262     -9.75469228
  O     13.66838511      6.29649249    -15.65290059
  H     18.95152664      6.03785835    -14.59835804
  H     18.73111423      7.42778178    -17.19458156
  O     17.63233369     11.42840944     -9.22221903
  H     16.26293894      4.97719315    -13.21719986
  H     18.15579743      8.48388842    -18.14856498
  O     18.26958975      9.91104353    -11.50524374
  H     15.39518786      6.20035139    -13.50237739
  H     13.60167744     10.41982976    -12.00875821
  O     13.55389719     10.68484593    -10.14942537
  H     17.33164178      7.03654837    -15.62753139
  H     14.72648221     10.72545273    -13.02495869
  O     18.91361827      8.28781325    -17.58073785
  H     16.92281655      5.60228899    -15.31648175
  H     18.42950092     11.54691254    -15.65056152
  O     13.88253904     10.25892757    -12.91784840
  H     18.20348443      4.24599620    -11.54230540
  H     16.92385679     11.53846517    -15.96555940
  O     17.59138296     11.94606884    -15.39365673
  H     18.42811219      5.39191027    -12.55545859
  H     16.27948687      8.81697835    -19.92756623
  O     16.49102476      8.74204965    -19.00112706
  H     19.59985775      9.66519700    -16.66853460
  H     16.05078969      7.93705705    -18.67308901
          69
 Energy    -248.05868213532165     
  O     17.00625958     10.03335676    -14.78179894
  H     17.71943768      9.37956439    -14.81896359
  H     12.39055803     11.62409243     -9.57174970
  O     14.65845636      7.29800732     -8.99242988
  H     16.24650222      9.64016251    -15.23323388
  H     15.93041714      5.40486725    -14.35708467
  O     12.49256747      8.25934023    -10.59279225
  H     14.73757751      6.80665226     -8.18001958
  H     16.52623991      3.99216336    -14.53072243
  O     14.84926998      8.62592431    -15.76591374
  H     14.93696884      8.21244912     -8.79945940
  H     15.73529958      8.20368332    -11.77273059
  O     19.09097276      8.19640605    -14.69205282
  H     13.13262660      7.81300482    -10.02577937
  H     15.46319133      7.16776722    -10.63939736
  O     20.78752783     10.04678157    -13.41834974
  H     12.56219152      9.19556465    -10.37075068
  H     17.58983791      5.83219779    -15.96130366
  O     18.22427708      6.54896173    -12.62188227
  H     15.12064415      8.27843338    -16.62833269
  H     18.47713809      7.08151289    -16.07628360
  O     12.00397428      7.40045373    -13.12361776
  H     14.80348104      7.87747117    -15.15707769
  H     18.03455843     13.70026935    -10.92895431
  O     15.51511385     13.31548286    -13.33911977
  H     19.80300893      8.75999408    -14.36690230
  H     17.64920467     12.20616543    -11.02882923
  O     12.69539969      9.85688713    -14.45900316
  H     18.81940885      7.63561608    -13.95030984
  H     16.68030932      7.13159579    -17.60567572
  O     13.53654328     11.57372114    -12.53130306
  H     20.16884761     10.78127240    -13.58001716
  H     16.11509711      7.58686104    -18.96353696
  O     13.00761812     11.00248357     -9.94935366
  H     21.66530609     10.38323271    -13.57574287
  H     16.20548055      9.93678207    -13.18909403
  O     16.75856203      4.91721018    -14.49830581
  H     17.92917501      5.84356329    -13.20975448
  H     14.94120468     10.39606688    -12.40174209
  O     15.81312011      7.26707145    -11.53160012
  H     17.42684790      6.81109477    -12.13658838
  H     18.15436771     11.38292236    -14.24085073
  O     17.96845520      6.44859528    -16.59986730
  H     12.16276031      7.69517153    -12.20893544
  H     18.50693138     12.35137645    -13.08095921
  O     17.67515846     13.04434907    -11.52084953
  H     11.12549461      7.02970151    -13.14236140
  H     16.84879807     10.33132868    -11.06926942
  O     15.90713130      7.53664480    -18.03497035
  H     15.94880710     13.33392693    -14.19082147
  H     18.24964978      9.96398124    -10.53122325
  O     15.73912520      9.85837507    -12.34531773
  H     16.22658110     13.28105721    -12.68393365
  H     15.00277592      6.72822040    -13.03058736
  O     18.86672661     11.91942204    -13.86436443
  H     13.40081989      9.54668352    -15.04304893
  H     13.63095079      6.68045698    -13.72308598
  O     17.50350507     10.56467069    -10.39163630
  H     12.34705955      9.06183176    -14.03835639
  H     19.19430325      7.94802849    -11.54520455
  O     14.56902558      6.50484250    -13.86846635
  H     13.16525132     11.06534467    -13.26936880
  H     20.01011368      9.20989187    -11.87708412
  O     19.47419254      8.79760782    -11.18761622
  H     14.12577300     12.25920001    -12.87573937
  H     16.13661360     10.18480341     -9.14348118
  O     15.33131178      9.89372417     -8.69688464
  H     13.15789459     11.28190823    -10.86960303
  H     14.59518300     10.38054927     -9.08950367
          69
 Energy    -248.05856550032689     
  O     14.43038155     13.30961359    -16.08872411
  H     15.31572013     13.27964365    -16.47119775
  H     13.08117030     14.27876479    -12.84660409
  O     17.19414579      9.00345233    -11.60199429
  H     14.18293798     12.39062603    -15.92495488
  H     20.92308334     13.29017490    -12.77214048
  O     14.19371871     10.59297022    -15.38662380
  H     17.62826800      9.62922031    -12.19891331
  H     19.53519865     13.65212851    -12.19134397
  O     17.07813299      6.69155494    -13.21176799
  H     17.22642319      8.14727401    -12.04800976
  H     13.34986846     10.52117660     -8.66500959
  O     16.57789518      7.76963216    -15.65474144
  H     15.15958254     10.57140102    -15.45214218
  H     14.12618395      9.62307519     -9.64374368
  O     16.00418886     12.22079936    -12.15691995
  H     13.89648502      9.68543799    -15.52766991
  H     17.54468428     13.38660234    -17.75158844
  O     14.35196906      8.97664112    -11.32608249
  H     17.62945157      5.91853474    -13.29921610
  H     17.55439582     13.53157539    -16.20927420
  O     16.98156253     10.54030652    -15.70889503
  H     16.97558065      7.06564590    -14.10571522
  H     13.79415178      7.46381973    -14.70917103
  O     18.18315124     14.29910542    -14.79557661
  H     16.82016720      8.69656386    -15.78362459
  H     13.05467775      7.29513933    -16.05715700
  O     13.52581289     11.14262930    -12.75469835
  H     15.62353305      7.72741210    -15.79031390
  H     16.99868962     10.27681815    -10.16223110
  O     13.91177067     15.25379521    -14.29267067
  H     15.13636335     11.87382308    -12.40195728
  H     15.81386873     10.75741441     -9.27613211
  O     12.86591423     13.69711696    -12.10799456
  H     16.18129890     11.91617485    -11.25809949
  H     18.11761671     14.29845970    -10.30408012
  O     19.98844723     13.14228781    -12.88710982
  H     15.31187823      9.00446600    -11.44037214
  H     17.78668702     14.91641022    -11.67385042
  O     14.21060651     10.14214935     -8.82691083
  H     13.98191860      9.72012536    -11.82810555
  H     17.39773579     11.49859038    -12.94932767
  O     17.14073196     13.05744809    -16.95333750
  H     17.47779588     10.67840593    -14.88953531
  H     18.92558798     11.62535061    -13.14907413
  O     13.69742609      7.83461880    -15.60476429
  H     17.09675091     11.33522873    -16.24340587
  H     15.43577879     14.38648572     -9.68481834
  O     16.65486072     11.03430589     -9.67356699
  H     17.51564437     14.61051344    -14.17215156
  H     15.24697020     15.05321298    -11.04339482
  O     18.51746791     14.59390685    -11.13134215
  H     18.89298970     13.92922588    -14.25790786
  H     14.08546687      7.51005633    -12.43445732
  O     18.18268389     11.02201509    -13.26590438
  H     13.63258945     11.02070054    -13.70756223
  H     15.13787894      6.61570996    -13.10116600
  O     14.76074331     14.75227957    -10.26715415
  H     13.13998030     12.01248658    -12.56938636
  H     17.25767240     13.68845402     -7.94580671
  O     14.20101667      6.84443362    -13.12642941
  H     14.05772364     14.56550294    -14.96693598
  H     17.00690646     12.66744129     -9.07756912
  O     17.08159164     13.61611717     -8.88086446
  H     13.46319013     15.97493524    -14.72565263
  H     16.12794271     13.95224792    -12.57097117
  O     16.22919644     14.89398611    -12.79175984
  H     13.39287398     14.01184470    -11.36041339
  H     15.45812759     15.14296176    -13.31853518
          69
 Energy    -248.05855702250906     
  O     -1.35026732     -2.91389841     -0.36415284
  H     -0.95244298     -2.03627483     -0.36267641
  H     -1.58727084     -6.69028775      1.47285099
  O     -1.08435174      0.21814611      6.86092800
  H     -2.30468787     -2.80909201     -0.22249098
  H      2.14484280     -4.90723736      4.12609556
  O      0.65240652     -1.86875553      3.40605102
  H     -0.50065193     -0.54235196      6.74507672
  H      1.67958867     -3.45022698      4.25869860
  O     -1.08619936      0.11538089      2.50227321
  H     -1.94417905     -0.14921518      7.10267786
  H     -0.95746073     -3.58190061      1.32829785
  O     -3.59378516     -1.10459831      7.15853677
  H      0.15462940     -1.07972524      3.15272481
  H     -0.58780170     -4.74832351      2.31909983
  O      0.26073512     -2.14841047      6.12437644
  H      0.16353476     -2.61594607      3.01947478
  H     -3.73956016     -4.29786320      3.07955025
  O     -0.58824270     -5.64143376      5.40220407
  H     -1.93388107     -0.35579331      2.49767816
  H     -2.29985099     -3.76750482      3.18588595
  O     -4.07511031      0.48218948      4.80500142
  H     -1.15226316      0.79355888      3.18634451
  H      2.35233458     -5.65556223      1.86441282
  O     -0.17298653     -0.36141378     -0.06065465
  H     -3.22671788     -1.95898419      6.87669431
  H      3.19325880     -6.71058706      2.62545435
  O     -0.34581497     -6.51708526      2.81690804
  H     -4.16014560     -1.28307604      7.90508576
  H     -3.46346820     -2.03143298      3.06516444
  O     -4.41555739     -5.20304556      1.57186100
  H      0.91601753     -2.83125756      6.28399884
  H     -3.87609170     -0.56322853      3.36131909
  O     -2.17995061     -6.50344763      0.73068815
  H      0.35992852     -1.92946639      5.18476701
  H      2.02742079     -3.85903587      0.47566952
  O      1.82731750     -4.25491054      4.76601852
  H      0.23543192     -5.14439478      5.29709626
  H      1.25404487     -5.04518120     -0.16296774
  O     -0.79879709     -3.80828478      2.25297159
  H     -1.21915136     -5.04812074      5.81935895
  H      1.75907115     -1.95106687      1.76889626
  O     -3.16602663     -3.74298705      3.62171506
  H     -4.00989234     -0.03259281      5.61928799
  H      1.38907387     -1.44690158      0.37918490
  O      2.45399250     -6.11607084      2.71819087
  H     -3.29778503      1.05288476      4.78875778
  H     -0.73213635     -4.42426715     -1.00290603
  O     -3.53805790     -1.15172421      2.67057640
  H     -0.49279820     -0.09625886      0.81757389
  H     -0.36833951     -5.43152679     -2.11905013
  O      1.99370783     -4.82441735      0.41304877
  H     -0.22720641      0.41160238     -0.61719367
  H     -1.30758091      2.71426758      4.91978975
  O      1.97820888     -2.05798072      0.83627157
  H      0.61586690     -6.56328785      2.75511107
  H     -1.26798363      1.27893392      5.49477703
  O     -0.37041758     -5.31184378     -1.17240650
  H     -0.55472593     -6.34368207      3.74806678
  H     -2.65559187     -3.50130718      5.32258962
  O     -1.47606724      1.80189721      4.69969217
  H     -3.64016061     -5.69430423      1.24568763
  H     -1.44136673     -2.94353125      6.14697763
  O     -2.31262853     -3.35757622      6.21840189
  H     -5.16444861     -5.78670020      1.48541676
  H     -4.23501038     -3.50072686      0.69091628
  O     -3.95926659     -2.65479874      0.31605839
  H     -1.60917220     -6.21219226      0.01077775
  H     -3.95140949     -2.02182068      1.04703409
          69
 Energy    -248.05854596217000     
  O     11.51393575     12.53656172    -12.43892201
  H     11.88173221     12.19223984    -11.60769891
  H     16.95647468     13.29382526    -17.54470636
  O     17.78781877     11.93715190    -12.77520729
  H     10.70898216     12.98956757    -12.20422043
  H     13.08376139      8.25712557    -12.99021966
  O     13.61084889      8.97782009    -11.21918055
  H     16.92678060     11.50754349    -12.87987065
  H     14.19825803      7.96826928    -14.00027882
  O     17.52528034      7.44392193    -11.75709831
  H     17.59658618     12.82876231    -12.46207919
  H     14.65423543     11.17986368    -13.35538398
  O     15.70069137      7.85475385     -9.64661717
  H     14.14518665      9.57868748    -11.75613512
  H     15.53367807      9.87312444    -13.26062074
  O     18.86037382      5.61824260    -13.33584675
  H     14.23634526      8.50581567    -10.65507768
  H     12.23360579      9.64200503    -16.51684774
  O     13.45160540     12.09007701    -14.29448890
  H     18.07240555      8.23924271    -11.66691077
  H     12.98920153      9.21021467    -15.23912944
  O     17.69598429      8.89389521    -16.00908317
  H     16.89819296      7.44177874    -11.02419494
  H     17.88928165     10.08908572     -9.99838237
  O     19.01261249      9.77289621    -11.57769008
  H     15.60077400      7.41875584     -8.80446860
  H     16.63703605     10.94312203     -9.65248897
  O     15.57461788     10.51003991    -16.98703961
  H     16.18414005      8.68510358     -9.47822424
  H     20.37954879      8.60947653    -14.39105176
  O     19.77802104      7.08804492    -15.43976891
  H     18.40147483      6.20002489    -12.70917934
  H     20.15511531     10.12788341    -14.42408119
  O     16.91438125     12.84752367    -16.70280302
  H     18.72646026      4.72913657    -13.01784228
  H     14.72302446     13.40642050    -14.44780159
  O     13.23968166      8.08698286    -13.92610284
  H     12.71208273     12.27466731    -13.69467303
  H     16.04367728     13.65727861    -15.20107031
  O     15.28607134     10.69184532    -12.80708493
  H     13.17234207     11.41799576    -14.92736020
  H     16.81137935     15.26712100    -11.86337318
  O     12.96490670      9.87429393    -15.95052329
  H     18.38343415      8.21856956    -15.95907708
  H     16.17412700     14.28342044    -12.87522840
  O     17.11788061     10.13774553     -9.42120187
  H     18.11457160      9.73033286    -15.75556077
  H     12.86447846     10.54561816    -10.41291007
  O     20.51418661      9.41594926    -13.88018240
  H     19.68254776      9.56342823    -12.24494463
  H     13.60881672     11.85513760    -10.09373624
  O     15.52121493     13.95265861    -14.44645614
  H     18.60091272     10.58700035    -11.90101401
  H     18.54078609     11.58499102    -14.36841039
  O     16.59300688     14.34925382    -11.99666973
  H     14.70948407     10.22747873    -16.67034404
  H     18.33806905     11.91940721    -15.85102442
  O     12.72727254     11.48216277    -10.21941632
  H     16.20354416      9.80759111    -16.77799349
  H     15.37224113     11.65368383    -11.21845023
  O     18.82826449     11.33544541    -15.25928306
  H     20.40041181      6.57971917    -15.95346145
  H     15.80345342     13.06225912    -10.79260249
  O     15.47428341     12.22529868    -10.44335197
  H     19.47063644      6.51172719    -14.71901907
  H     16.59480109      8.44606787    -14.67445925
  O     16.00716540      8.29560361    -13.92251785
  H     16.37622477     12.04645717    -16.83907402
  H     16.53143948      7.91960424    -13.20380740
          69
 Energy    -248.05842636218259     
  O     -2.00825503     -2.28741328     -1.03431140
  H     -2.84528959     -1.99358180     -1.41926320
  H     -1.12526418     -3.73337876     -0.55658646
  O     -2.32784369      1.77469386      0.35439887
  H     -1.29429333     -1.83048524     -1.50352536
  H      1.91235358     -0.05210556      4.41814652
  O     -1.81181974     -1.27983007      4.11328863
  H     -2.86790128      1.77079084     -0.44307297
  H      0.68305161      0.92029878      4.35557220
  O      3.59260187     -1.94334932      2.33752862
  H     -2.35413144      0.87647223      0.71700982
  H      0.89663491     -2.30436963      1.60159996
  O      0.17470915     -1.17774614     -2.34982011
  H     -1.61937329     -0.38052852      4.40418988
  H      0.64708749     -3.70283989      0.97755526
  O     -4.31886270     -1.13507748     -1.97103982
  H     -2.12859886     -1.19316075      3.20521624
  H     -1.20232912     -0.68404496      1.49593094
  O     -0.98532273      1.31264129     -2.98419964
  H      2.88685840     -2.51959910      2.01492029
  H     -2.22380825     -1.37977067      0.57285763
  O      0.18635653      2.50650139     -0.68242092
  H      3.41907656     -1.83337238      3.27999476
  H      2.06716506     -4.11938114     -2.40375827
  O      4.19288317      0.22794568      0.80739754
  H      0.56534621     -2.03348874     -2.57175654
  H      0.66557640     -4.12164270     -1.77926731
  O      1.82760512      0.28838140     -0.69713007
  H      0.81557042     -0.71762454     -1.78794202
  H     -0.47623418      3.46439906      2.28013843
  O      0.52828094     -0.54774318      1.60744977
  H     -5.24820085     -1.18905760     -1.76060595
  H     -1.74167117      2.67569144      1.88001782
  O     -0.50206188     -4.44930508     -0.34099962
  H     -4.12265763     -0.19239706     -2.07958254
  H      2.98112568     -1.92281300      5.86260149
  O      1.51986859      0.68571825      3.93382021
  H     -0.60716416      0.42413066     -2.93774780
  H      1.81757242     -2.14984639      4.86487449
  O      1.17429607     -3.23391587      1.63226187
  H     -0.47881381      1.84909229     -2.36081198
  H      0.59563790     -3.24055191      3.44858639
  O     -2.15504778     -0.79828333      1.33968493
  H     -0.65825432      2.21300000     -0.30981778
  H     -0.40877225     -2.43449339      4.31411015
  O      1.18792433     -3.76285102     -2.51162982
  H      0.52649719      3.17725169     -0.07772907
  H     -1.15655389      2.00716041      4.03894808
  O     -1.25463536      3.02260301      2.63902539
  H      4.00186508     -0.55264480      1.35797572
  H     -1.38635927      1.86191701      5.56133921
  O      2.62269308     -1.62392111      5.03216386
  H      5.11067011      0.16598271      0.55645220
  H      3.45475006      1.71893785      1.74707810
  O      0.40175709     -2.96347540      4.35272653
  H      1.40062987      1.15827472     -0.69430904
  H      2.47167394      1.82805689      2.92511293
  O     -1.03021564      1.41186028      4.79998772
  H      2.70197192      0.35610354     -0.29504470
  H     -2.65385531      1.46229177     -2.57369322
  O      2.91933790      2.34867398      2.24156127
  H      0.89497519     -0.11227247      2.38665536
  H     -3.96932318      2.26604309     -2.70358107
  O     -3.55813378      1.55450937     -2.21999955
  H      0.99049829     -0.22179379      0.82548960
  H      1.43261474      5.02198479      1.49561163
  O      1.09441017      4.13623588      1.39884960
  H     -1.02668444     -5.22563617     -0.16179970
  H      1.79489864      3.53126423      1.70496403
          69
 Energy    -248.05837008021069     
  O     -4.45222364      2.04571425      4.26997504
  H     -5.00580982      1.32862575      4.60777473
  H     -3.41602208      1.89851559      0.46806183
  O      0.69099824      4.83003187      1.10051231
  H     -4.98372065      2.85305611      4.25417386
  H     -5.92594386      3.22650322     -0.91244535
  O     -0.58209524      0.37228931      2.45866581
  H      0.96230542      3.96812182      0.73678640
  H     -7.01751717      4.30417642     -0.78316661
  O     -4.83504360     -0.63491997     -1.35897889
  H      1.25126215      5.48834965      0.69864612
  H      1.74567087      1.91083319      1.09027897
  O     -2.39399466     -1.62915445     -0.74049982
  H      0.33680872      0.53806044      2.70174591
  H      0.73824718      1.73642329     -0.06770738
  O     -4.16333103      0.95866568      1.72300971
  H     -0.63951709      0.50159178      1.50046776
  H     -6.12583230      5.15810434      4.51901193
  O     -7.59563360      2.96036250      2.18178506
  H     -5.48130877     -0.75334459     -0.64679120
  H     -5.45091302      4.78406813      3.17541384
  O     -1.79914251      2.63453786      3.62763794
  H     -4.95394113      0.26614151     -1.67602682
  H     -2.00027108      3.82468263      2.26663077
  O     -4.88108753      2.19476076     -2.05210476
  H     -2.26024694     -2.43416360     -1.23395622
  H     -1.14341549      4.69199797      1.30749834
  O     -6.35618519     -0.60993982      0.94686265
  H     -3.26977332     -1.28709757     -0.99665283
  H     -5.18594788      4.78389082      0.93017825
  O     -5.18377557     -2.00119028      3.15375646
  H     -3.67129934      0.14351373      1.89171905
  H     -3.78851716      5.04857764      1.56006955
  O     -2.94232080      2.43443753     -0.19035148
  H     -4.31873034      1.38503706      2.57564233
  H     -6.31572550     -0.56660165      5.76158163
  O     -6.34741722      3.83471115     -0.28893588
  H     -7.18222467      3.17038147      1.33731440
  H     -5.72081408     -0.85621824      4.36557219
  O      1.40797118      2.33310768      0.29037549
  H     -7.12007756      3.47611621      2.84322233
  H      0.83405897      4.18903361      2.93232612
  O     -5.88550391      4.41865493      3.96779295
  H     -1.45445986      1.81200450      3.25264402
  H     -0.08076025      3.38682070      3.87893891
  O     -2.04652747      4.40903358      1.49466339
  H     -2.66894226      2.43752202      3.99836264
  H      2.80148766      1.09224837      3.40692585
  O     -4.73406893      5.21662111      1.66450880
  H     -4.59800996      2.41359940     -2.93680925
  H      1.68075495      2.15495336      3.28799614
  O     -6.04534210     -0.14691437      4.94895746
  H     -4.10793559      2.31379637     -1.47094101
  H     -8.01098278      1.26453466      2.63401743
  O      0.84122594      3.63296061      3.72114388
  H     -5.66283759      0.02516016      1.18033285
  H     -7.53353909      0.20279091      3.64299332
  O      2.01779080      1.32011969      2.91501574
  H     -7.11784076     -0.36360361      1.49139890
  H     -2.54591203     -1.60804645      1.13839645
  O     -8.08262788      0.32429756      2.86159219
  H     -5.67569077     -1.73869023      2.36431986
  H     -1.87202677     -0.92848467      2.36427182
  O     -2.66257899     -1.40519254      2.07584969
  H     -4.25283485     -1.96770286      2.89816964
  H     -1.51964016      1.34366070     -0.36496646
  O     -0.81495285      0.68072015     -0.31850321
  H     -2.60526696      3.20896011      0.27778621
  H     -1.22269298     -0.15712455     -0.56953098
          69
 Energy    -248.05834441396087     
  O     14.60225833      9.28494314    -10.45858518
  H     15.26850974      9.76751930     -9.95414826
  H     15.43100831      5.91459625    -15.31896355
  O     13.33804686     10.26766587    -16.35909249
  H     14.28545164      9.84808604    -11.17807798
  H     17.63617746      3.11225109    -11.29326714
  O     16.66841038     10.94729683    -13.48560216
  H     13.15107491     11.06381587    -15.84608097
  H     17.55582146      4.32849458    -12.24347689
  O     13.15006461      5.61982178    -13.47184838
  H     13.08519295      9.52900095    -15.79076311
  H     20.02001357      7.27217250    -15.21192716
  O     17.16070424      7.54750057     -7.91536860
  H     15.76351051     10.71990368    -13.23834235
  H     18.71348337      8.08439355    -15.10602410
  O     15.81614506     12.77272192    -15.42173325
  H     17.21599699     10.90023462    -12.68844460
  H     12.74804597     13.37936628    -14.61526386
  O     15.96819943      7.54937149    -12.17535433
  H     13.73282733      5.22619447    -14.13015689
  H     14.13553128     12.75774373    -14.91140928
  O     13.93025388     10.46838882    -12.85742212
  H     13.57533993      5.42842702    -12.62493101
  H     14.03031052      8.11885172    -14.67559737
  O     18.69920142      7.88343734    -12.00585813
  H     17.65662996      7.04216692     -8.58541690
  H     12.86925685      7.41193068    -13.99316647
  O     18.18671054     10.53378353    -11.25974902
  H     17.43026556      7.20941466     -7.06545070
  H     15.75494312     10.75383124    -18.34536488
  O     17.73458859      4.89341056    -13.88700546
  H     16.24226669     12.28842282    -14.69931633
  H     14.93976940     10.45237692    -17.06817689
  O     15.30700469      4.95048470    -15.37645413
  H     15.90878246     12.20569714    -16.19621058
  H     14.37537371      7.68165385     -9.46858826
  O     17.38515550      4.03155401    -11.33158728
  H     15.53370754      8.20450133    -11.61509339
  H     15.39932399      7.00015235     -8.55471218
  O     19.19049405      7.32120611    -14.74195094
  H     15.61139530      6.69084493    -11.91079123
  H     15.61376363      4.68249478    -11.15586368
  O     13.22642163     12.55520319    -14.62606378
  H     13.57692620      9.68839882    -13.31026818
  H     14.67300166      5.65949790    -10.37040213
  O     13.11982255      8.26371181    -14.37467377
  H     13.59700397     11.23864146    -13.33299518
  H     18.73268098      6.77346047    -10.53701232
  O     15.83362016     10.65065792    -17.40059576
  H     19.03474815      7.69691418    -12.88901033
  H     18.12942223      5.38881913    -10.24489113
  O     14.57089622      6.84606448     -9.02235614
  H     17.73804351      7.75012184    -12.05041776
  H     15.82273719      7.57144383    -13.93399675
  O     14.80773993      5.20836451    -11.21856854
  H     18.51638970      9.64832702    -11.46819371
  H     16.35351834      8.23374532    -15.23896409
  O     18.47849193      6.17974661     -9.81703121
  H     17.77615930     10.46786749    -10.39043642
  H     16.92094806      9.25543079     -8.46731681
  O     15.71841465      7.59529863    -14.89940480
  H     18.19429207      5.67367797    -14.21443048
  H     16.75087460     10.73900638     -8.06994302
  O     16.74874651     10.14486092     -8.81675814
  H     16.93458729      4.80015839    -14.42029645
  H     17.15140067      9.85656910    -16.33864077
  O     17.63345511      9.46960699    -15.59636819
  H     15.10842288      4.75410357    -16.28886621
  H     17.39370103      9.99486014    -14.81579361
          69
 Energy    -248.05828416078481     
  O     19.24639837      9.19041688    -14.67922556
  H     19.59328311      8.29248819    -14.59860236
  H     20.67461413      6.66480683    -13.66182769
  O     21.59845877      7.09555432    -12.12633252
  H     18.80500735      9.38793483    -13.84494853
  H     18.54873284      3.53773571    -13.54938372
  O     15.95225409      8.86231805    -10.10909875
  H     21.04484756      7.70419940    -11.60732963
  H     19.84884156      3.95421858    -12.81924997
  O     13.39825549     10.98191986    -13.19676258
  H     22.49860714      7.39755299    -12.03467741
  H     16.01563926      9.52387872    -15.14416384
  O     17.24357791      9.18856083    -16.50699596
  H     15.25047119      9.52886982    -10.09310776
  H     16.24172422      9.60215209    -13.61268190
  O     11.83278535      8.57805796    -12.99754418
  H     15.52821317      8.04140024    -10.39806072
  H     18.50437484      6.45930459    -13.23463393
  O     18.16361662      5.61514692    -10.16754001
  H     13.24758925     11.82514737    -13.61756394
  H     16.98638573      6.17396541    -13.26713188
  O     14.39843588      6.72452021    -11.01936529
  H     14.15908939     10.57942638    -13.64551196
  H     14.66271204      6.48441902    -14.12671998
  O     20.53906643      4.53497651    -11.23292269
  H     17.44282808      9.65771808    -17.31334476
  H     14.64440718      8.03243785    -13.99521998
  O     15.84437775      4.26250271    -10.92289367
  H     18.02477715      9.27038999    -15.93027067
  H     18.05724013      8.20207845     -7.73326081
  O     16.70639322      3.02141625    -13.18630006
  H     12.49843666      7.98223024    -13.36987840
  H     17.32593909      8.38204031     -9.08452606
  O     20.01696366      6.43308536    -14.33265337
  H     12.19140622      9.46496688    -13.12468459
  H     13.60185047     10.69815160    -11.29277108
  O     19.43176546      3.89348585    -13.69307069
  H     18.17746853      6.35903813     -9.55557593
  H     13.07478835      9.70018668    -10.24547822
  O     15.56189380      9.63701932    -14.29921092
  H     17.98611744      5.98083790    -11.04801496
  H     19.22012504      9.12374083    -11.32012976
  O     17.67947573      6.60732808    -12.75464102
  H     14.33841110      6.87029485    -11.97485426
  H     19.47563479      8.51426955     -9.94401197
  O     14.16933740      7.22822970    -13.75153806
  H     13.57000950      7.05296202    -10.64771266
  H     16.54179003      5.55702883    -15.25506463
  O     18.13313314      8.03350426     -8.66889658
  H     19.76591699      4.81396646    -10.72347247
  H     16.13887925      4.43203019    -14.23112570
  O     13.72191218     10.40467060    -10.38153451
  H     21.01996505      5.34518824    -11.43656808
  H     17.55125525      7.26577016    -16.46367117
  O     19.91871108      8.75983738    -10.76571278
  H     16.64757190      4.57790239    -10.48636162
  H     18.63366373      6.36640882    -15.83470600
  O     15.92137521      5.31649429    -14.55048274
  H     15.24395752      5.01821799    -10.92008171
  H     11.17572779      7.87855504     -9.92137418
  O     17.78308566      6.34617344    -16.28621076
  H     16.46048262      2.10015980    -13.18118256
  H     11.82856475      8.23665399    -11.27881956
  O     12.00911003      8.09122241    -10.33228667
  H     16.37586672      3.40448324    -12.35387417
  H     16.99895095      9.33112267    -11.53876675
  O     17.54152484      9.26445302    -12.33659318
  H     19.87340357      5.47316002    -14.25169990
  H     17.59136688      8.31072981    -12.52607671
          69
 Energy    -248.05816113138383     
  O     16.05115942      3.59579691     -9.08088513
  H     15.91665963      4.29340013     -8.42950634
  H     11.95759550      6.70491544    -14.12111053
  O     19.41350520      7.93319502    -12.97920177
  H     15.22009687      3.55182352     -9.57621109
  H     16.03039958      5.77124919    -12.06820768
  O     14.01175871      8.26383657    -12.19853321
  H     20.34552353      8.12618797    -13.03669092
  H     14.91242983      5.39180277    -11.07103616
  O     11.62162364      7.34773570    -15.76558763
  H     19.30851358      7.27776451    -12.26660948
  H     17.26110445      3.51468380    -10.34298568
  O     17.46252110      9.97345856    -12.41710417
  H     13.81133901      8.82720471    -11.44243712
  H     18.39450996      2.67200836    -10.96546500
  O     17.04213650      7.10280428     -9.29239434
  H     14.56973056      7.54153157    -11.86693275
  H     14.67407291      9.72435910     -9.76147807
  O     19.03155889      6.13302722    -10.98104057
  H     12.39250958      7.84851729    -16.07274485
  H     13.32507825     10.43495602     -9.48716653
  O     15.35644238      5.84345502     -7.43010167
  H     11.24578779      6.94251192    -16.54400229
  H     12.66247724      6.56190392     -9.40274136
  O     13.97022952      8.65822590    -16.56669469
  H     18.17502610      9.34211764    -12.57532533
  H     13.37800734      7.88842893     -9.06354730
  O     15.30585656      6.08899732    -16.41965780
  H     16.83304938      9.84180561    -13.13450805
  H     14.99339368      8.78897636    -13.60242388
  O     17.43533491      6.96173182    -14.71695125
  H     16.49707781      6.79223393    -10.03272666
  H     16.18669187      8.27343264    -14.47373182
  O     12.32331385      6.40398209    -13.27786726
  H     16.62698193      6.73612898     -8.50356520
  H     16.76562481      9.92775416    -10.73633996
  O     15.46839337      6.12424416    -11.36782938
  H     18.75676591      5.21242492    -11.04799822
  H     16.71091719      8.91121987     -9.57225779
  O     17.87743746      3.46282547    -11.09470779
  H     18.48594637      6.51655475    -10.27996258
  H     11.78248915      5.86968730    -11.66682487
  O     13.70441602      9.60885116     -9.77213219
  H     15.17822632      5.89572410     -6.49506975
  H     10.67972086      5.45986668    -10.66502413
  O     13.26141843      6.97516865     -8.77160679
  H     14.58165559      6.22240365     -7.88263606
  H     17.09319253      4.08926201    -12.67348752
  O     15.54621032      8.99336530    -14.37138370
  H     14.51721270      8.86866061    -15.78962450
  H     15.88898809      4.42209006    -13.64884236
  O     16.36796128      9.76404896     -9.86905050
  H     14.14785002      9.33517740    -17.21466417
  H     13.00202837      4.35781548    -10.63972388
  O     11.61885199      5.60709361    -10.74512953
  H     14.82621000      6.90128036    -16.61719735
  H     13.76542126      3.26620618    -11.44643992
  O     16.77576730      4.68286728    -13.36575821
  H     16.14212305      6.37279879    -16.02730459
  H     13.79008055      3.01533245    -13.60655858
  O     13.84534744      3.89673470    -10.71596428
  H     17.27043082      6.11570299    -14.27275352
  H     13.69620980      1.48756356    -13.43636421
  O     13.66295048      2.30823553    -12.95256199
  H     18.19949985      7.34179186    -14.26608115
  H     13.54391030      5.16441579    -13.99748417
  O     14.16300267      4.55719144    -14.42311880
  H     12.87270823      7.12575557    -12.93527476
  H     14.51014523      5.01127638    -15.20449046
          69
 Energy    -248.05797408808280     
  O      9.23713930    -12.03839541     -2.05160995
  H      8.51927699    -12.68361709     -2.14813326
  H      6.10465422     -9.09810622      2.00323351
  O      4.43777690     -8.89888328      1.10840502
  H      9.29797049    -11.56792526     -2.89150119
  H      5.05055479    -11.21542979     -1.92479124
  O      8.61556741    -14.71968252      1.29294906
  H      3.80815848     -8.19816483      1.25583306
  H      4.62674080    -11.94798215     -3.22399977
  O      6.54164622     -9.48803032     -4.00667828
  H      4.02513299     -9.72110856      1.42977267
  H      5.68939245    -12.11966213     -5.15626907
  O      5.29801527    -14.85139026      3.65520935
  H      9.39128034    -14.25378769      0.94125923
  H      4.35048456    -11.71699409     -5.82244130
  O      6.89079234    -11.68506336      3.78884002
  H      8.61924555    -14.63792577      2.25296122
  H      7.80102696    -13.24296199      4.02410484
  O      5.75562640     -9.65298543     -1.27729340
  H      6.24797303     -9.37471089     -3.09406422
  H      8.63099561    -14.27517547      4.81915100
  O      7.23364067    -12.93327317     -5.09289215
  H      5.89451027    -10.07125692     -4.42314877
  H      8.12653983    -10.18661474     -4.32234600
  O      6.75971901    -12.65572318      1.14346240
  H      6.25754196    -14.83180548      3.74220467
  H      9.48947060    -10.14027488     -5.05385917
  O     10.58669646    -13.18418557      0.20988798
  H      5.09341794    -15.25223996      2.80116087
  H      4.28794807    -14.88701801      0.71894882
  O      6.86541813    -15.76362123     -0.58799749
  H      6.95169329    -10.80055217      3.39876965
  H      3.74150575    -16.32313299      0.89988511
  O      6.98246916     -9.36033068      2.31037610
  H      5.98384338    -11.81328991      4.09729319
  H      9.62341962    -10.59408358      1.08402366
  O      4.74062507    -12.06390935     -2.27302369
  H      5.23298247     -9.31239622     -0.54100098
  H     10.26454099    -10.22349795      2.42390967
  O      4.87854014    -11.59145734     -5.03926692
  H      6.61357026     -9.90113919     -0.90669200
  H      4.23717140    -12.88466410     -0.73691748
  O      8.10413089    -14.16605787      4.03109852
  H      7.23284625    -13.38910864     -4.23907151
  H      5.14645687    -13.01321802      0.50907645
  O      8.94267693    -10.68822232     -4.49741034
  H      7.92265000    -12.26079943     -5.02862719
  H      4.55435064    -13.36643375      4.15479768
  O      4.49527277    -15.76635592      1.07996130
  H      6.72988857    -12.34949951      2.05856908
  H      3.77283128    -12.55538185      5.21740296
  O     10.38346800    -10.77565831      1.65391296
  H      7.37130767    -13.40437382      1.10445108
  H      3.61505895    -11.62026432      2.84693439
  O      4.25326452    -13.20111499      0.17581445
  H     10.29723416    -12.85193074     -0.64910114
  H      3.55293952    -11.93748894      1.33859381
  O      4.26312436    -12.47012100      4.40418948
  H     10.70135655    -12.40492042      0.77051758
  H      7.59874319    -11.31150840      0.36643273
  O      3.41356990    -11.23399276      1.98666604
  H      7.56525826    -15.56675071      0.05147299
  H      8.57024953    -10.97384705     -0.79104890
  O      8.09102761    -10.58251907     -0.04565035
  H      6.07000445    -15.90379115     -0.06366836
  H      6.25660406    -13.18862591     -2.29367785
  O      7.06319356    -13.70810911     -2.39877114
  H      7.47081438     -9.57292838      1.50669973
  H      6.98641647    -14.48914175     -1.83218952
          69
 Energy    -248.05789986070815     
  O     14.81228452     12.48470933    -15.77284137
  H     14.16242539     13.18235309    -15.78031906
  H     18.01013114     11.57668775    -17.24688660
  O     16.59893668      6.01872595    -14.25214322
  H     14.35309927     11.67937219    -15.47466950
  H     16.52867430      8.75209201    -15.87236899
  O     18.80176171      8.48261118    -11.78753848
  H     17.18746472      5.82625978    -13.50913083
  H     17.99851112      8.73327834    -15.40010321
  O     18.27811191      7.31738323    -18.08961436
  H     16.80499300      6.92192179    -14.53823737
  H     13.76944689      9.95221447    -14.03589098
  O     14.45902944      8.49340243     -9.75170871
  H     18.17122388      9.14857280    -12.09986527
  H     13.50438328      9.39421841    -15.45205252
  O     14.06450206      6.77800605    -13.62360730
  H     19.55971160      8.53501202    -12.38210377
  H     15.81688037      5.26786433    -10.34109085
  O     16.97171993     10.21743680    -12.92257001
  H     18.36456537      6.57143788    -17.46620460
  H     16.62383397      4.31953432     -9.42211984
  O     18.49525448      5.39175169    -16.24925114
  H     18.57806348      7.00291168    -18.93821589
  H     13.67085827      7.21027482    -15.32230798
  O     14.26283171      5.87326843    -10.88888577
  H     14.14540673      8.86750323     -8.93299677
  H     12.72580654      7.19480141    -16.54063021
  O     19.58884463      9.06692196    -16.24981238
  H     15.41810388      8.35491406     -9.64936982
  H     21.68705977      8.88893985    -13.80166594
  O     20.34420375      5.66150298    -14.18944239
  H     14.94043004      6.40542900    -13.81554357
  H     20.44857401      8.72001227    -14.70699523
  O     18.88474592     11.68362309    -16.82888536
  H     14.20378839      7.64243232    -13.20918651
  H     17.88108564      5.38485315    -11.39969359
  O     17.08918200      8.60730923    -15.10030873
  H     16.96433178      9.62429065    -13.69136281
  H     18.50854860      6.67974336    -11.98698614
  O     13.60031228     10.21096156    -14.95222319
  H     17.13632959     11.09931929    -13.28297874
  H     17.08046468      6.91106932     -9.59025199
  O     16.70897865      5.06877058    -10.00523852
  H     17.72179366      5.40535718    -15.67242289
  H     17.77088739      8.15319587    -10.19367819
  O     13.53873273      7.57332673    -16.21377990
  H     19.25208581      5.41543697    -15.64570256
  H     15.79658359     11.79407860    -17.20207835
  O     20.81523220      8.50123489    -13.83481360
  H     14.17786451      6.73320917    -10.45696090
  H     16.12153879     10.42459607    -17.84049376
  O     18.37815580      5.73383709    -12.14935203
  H     14.06370621      6.02364455    -11.82017962
  H     15.31118288      9.67816803    -12.53139056
  O     17.09927022      7.87614016     -9.55886315
  H     19.27258173      8.50983600    -16.97275673
  H     14.31572189      9.11145215    -11.49199700
  O     16.40251374     11.34904136    -17.80888102
  H     19.41293305      9.99069743    -16.48247233
  H     16.47968561     12.56176295    -14.85866632
  O     14.42650752      9.29561329    -12.43226269
  H     20.64113387      6.57143409    -14.07834535
  H     17.95502886     12.25649902    -15.16549638
  O     17.34950938     12.47009115    -14.44712582
  H     19.75401068      5.50005882    -13.44062728
  H     15.03863958      8.11825046    -17.25064793
  O     15.79011874      8.63471408    -17.56814971
  H     19.32880319     12.38618667    -17.29653930
  H     16.51256496      8.04396899    -17.81973012
          69
 Energy    -248.05780271599872     
  O     -1.12569540      0.67304879      0.75282413
  H     -2.05489611      0.93201672      0.79542500
  H     -1.23920518     -2.22438357      6.26315117
  O     -2.35308751      4.90989251     -1.40773491
  H     -1.08118965     -0.28146986      0.88646285
  H     -3.55255814     -0.53885560      4.07970196
  O     -2.62683035      4.23008121      1.27880278
  H     -2.63118741      5.54320238     -2.06370120
  H     -3.66133244     -1.84910695      3.26340066
  O      1.92054138     -0.39869441     -0.09072946
  H     -2.45050000      4.02781843     -1.81079514
  H     -3.56705361      4.79347382      4.37704928
  O     -3.70639569     -2.53275528      1.48856738
  H     -1.72610857      3.89372373      1.40610977
  H     -2.97896786      4.24867140      3.05647061
  O     -0.73762528     -0.89248667     -2.86988609
  H     -2.64756833      4.60025071      0.38758145
  H     -0.57808477     -0.19959815      4.77958895
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  H      1.56063842      0.29636341     -0.65362733
  H      0.28957399      0.40728293      3.64798522
  O     -2.37242851      2.40091783     -2.41554492
  H      1.58271152     -1.22528596     -0.45663031
  H     -3.61972135      1.42343841      2.10774807
  O      0.20094595      1.40627631     -1.55141370
  H     -3.91493623     -3.45775942      1.37961594
  H     -3.49633275      2.56112905      1.06971103
  O      0.50740412     -2.62684974     -1.23850721
  H     -2.75835811     -2.43425896      1.29078909
  H     -2.15605229      1.05365129      3.90323700
  O     -1.05835872     -2.14183635      1.01240134
  H     -0.32781311     -0.06386496     -2.58676793
  H     -3.18671285      2.20216701      4.04742122
  O     -1.11550974     -1.88346522      5.38180246
  H     -1.68680206     -0.72188592     -2.90909158
  H     -1.13916319      3.71700800      4.43797641
  O     -3.49412959     -1.50138451      4.14744532
  H     -4.37861984      0.28388021      0.13069928
  H     -0.25099810      2.45760134      4.55352590
  O     -3.04230369      4.08523817      4.01239174
  H     -4.33819669     -1.25278085      0.23705350
  H     -0.39769736      4.51095679     -1.14077692
  O     -0.40997779      0.61078128      4.28240492
  H     -1.47295903      2.10402036     -2.23437949
  H      0.39349029      3.86573145      0.01146089
  O     -3.72845353      1.62986090      1.16787456
  H     -2.87035012      1.59866743     -2.60911859
  H      1.10224320     -1.83244635      3.07696003
  O     -3.09896380      1.26520093      3.83378862
  H     -0.28878401      1.12764198     -0.75934793
  H      0.02739577     -2.46601388      3.99200532
  O     -0.22598338      3.41084464      4.38861536
  H      0.43093797      2.34036863     -1.43632548
  H     -0.33328241      2.22155678      1.48345408
  O      0.43006437      4.06226887     -0.93665052
  H      0.04448224     -2.07383437     -1.89444557
  H      0.00227075      3.27104260      2.59836342
  O      0.52993283     -2.60404507      3.17883264
  H      0.86549170     -3.37565350     -1.70659765
  H     -4.16139721     -0.40707071     -3.48441153
  O     -0.09734637      3.14491865      1.64479152
  H     -0.51770376     -2.37316358      1.78296310
  H     -3.87485244     -0.34424465     -1.96615767
  O     -3.49243265     -0.17504494     -2.84582100
  H     -0.56363671     -2.39615854      0.22344323
  H      2.61690399      0.27565642      2.89665365
  O      1.78080969     -0.09938229      2.62950433
  H     -1.99853141     -1.82801446      4.97330003
  H      1.81830441     -0.18267158      1.66170588
          69
 Energy    -248.05764927529549     
  O     -4.84284352      0.83773110      2.03498158
  H     -4.88027859      0.29982121      2.83974511
  H     -0.60451941     -5.18974051     -0.83657656
  O     -2.26590138     -3.01339825      7.48597662
  H     -4.08341592      1.41891250      2.15308657
  H     -0.87459336     -1.44210910      0.86046398
  O     -1.76003937     -0.05495085      3.91969886
  H     -1.94461345     -2.80560385      8.35971920
  H     -1.33811088     -2.49076113      1.89406532
  O     -4.40975551     -0.91476877      4.15294330
  H     -1.64423849     -2.60867971      6.85788679
  H     -1.53971607     -4.41276960      2.72646431
  O      1.99463145     -2.16013681      4.68611970
  H     -1.50948523     -0.57584635      3.14055616
  H     -2.88573253     -3.91759777      2.09743660
  O     -2.72500478     -5.38249351      5.95974723
  H     -1.91567114      0.83964266      3.59309270
  H      1.87294835     -0.60482103      1.30065540
  O     -0.60238839     -1.98663792      5.54836630
  H     -3.49079489     -0.61739313      4.18455279
  H      0.81823628     -1.39597568      2.08375045
  O      2.06126066     -4.91853440      3.82008717
  H     -4.61716933     -1.33980923      4.99680642
  H     -4.78471205     -3.88060613      3.24994447
  O     -5.13167015     -4.90094363      4.79440838
  H      2.07150558     -1.72287137      3.82782057
  H     -4.42298296     -2.39348809      3.10268352
  O      1.94494798     -3.99166674      1.27933582
  H      2.15751029     -3.09495509      4.51232061
  H      0.87341207     -0.42545593     -0.68537357
  O     -0.34423374     -1.66699344     -1.00753245
  H     -2.59852638     -4.69593054      6.62693374
  H      1.98135469      0.58914794     -1.05465963
  O     -0.43634974     -4.39301069     -0.33985346
  H     -1.98585987     -5.26995312      5.34729990
  H     -1.92996346      2.03661186      1.63987096
  O     -0.96464802     -1.60462548      1.80568064
  H     -0.99962858     -1.24163604      5.07772269
  H     -2.28356326      3.22699809      2.56177978
  O     -1.98062859     -4.19280708      1.89268832
  H      0.34984936     -1.96728182      5.36869022
  H     -1.76648218      0.91926217     -0.42956141
  O      1.77448783     -1.25804751      2.00149872
  H      2.72611645     -5.59281561      3.92764514
  H     -0.30962767      1.22172616     -0.00099044
  O     -4.44553259     -3.23314889      2.61923317
  H      2.06723859     -4.66066144      2.88055439
  H     -3.35933977     -0.79303274     -0.78944504
  O      1.39206704      0.32801593     -0.35117623
  H     -4.28010261     -5.15970421      5.18967150
  H     -3.27573894     -0.13856798     -2.18813260
  O     -2.35414686      2.27953513      2.48181950
  H     -5.74484534     -5.60833173      4.97554808
  H     -5.06618082     -3.29401539      5.91344146
  O     -1.22675642      1.48398460      0.13670136
  H      1.20862531     -4.15046423      0.67934205
  H     -4.02079389     -2.62507124      6.82944981
  O     -2.74489023     -0.41584854     -1.44676841
  H      1.98445489     -3.03625435      1.42407165
  H     -0.68083364     -3.63142118      4.68206604
  O     -4.85395302     -2.46941199      6.36761718
  H     -0.39071084     -2.62599251     -0.90913712
  H      0.26090438     -4.75626784      4.16991064
  O     -0.66640518     -4.50914269      4.27496783
  H     -1.20619206     -1.33999170     -1.30380801
  H     -4.63330552     -0.55495103      0.92099341
  O     -4.41777063     -1.34889592      0.40587156
  H     -1.04324294     -4.40268386      0.42097994
  H     -4.52551866     -2.09474382      1.00302487
          69
 Energy    -248.05739379613564     
  O     -5.25506910      3.01985818      3.11919887
  H     -5.89523400      2.83653802      3.80073669
  H      0.31277711     -2.17859953     -1.94923181
  O     -1.23086151     -1.95694527      2.66856125
  H     -4.62292159      3.66511039      3.48687909
  H     -0.91079572      3.63614323      2.96108049
  O     -2.10415922      3.81414253     -2.14996608
  H     -1.51990417     -2.76421056      3.08569614
  H     -0.78469856      2.63368640      4.11347099
  O     -3.47516501      0.77977924     -0.66641470
  H     -1.74689582     -1.86797093      1.84716679
  H     -2.85520623      6.33405876      0.85528682
  O      0.89716784      6.06642643      0.65926529
  H     -1.65193158      2.96476570     -2.20075213
  H     -3.70205763      7.42781523      1.54458023
  O     -1.27579152      3.53421741      1.26772083
  H     -3.04278967      3.60130965     -2.07036221
  H     -3.35124232      1.26829953      1.04875415
  O     -1.00100931      0.75433940      3.47326712
  H     -2.59821450      0.91449465     -1.05803900
  H     -3.94425922      1.99348041      2.31192592
  O     -2.45402432     -1.70971798      0.23859019
  H     -4.04911652      1.45425773     -1.04912661
  H     -3.32898251      5.44245692      3.14388905
  O      1.48258741      1.10575480      2.13827353
  H      1.63322659      5.58741893      0.25910739
  H     -2.49696078      4.46229658      4.01773555
  O      3.09617018      3.42222024      2.38291016
  H      0.97846021      5.91183484      1.60778028
  H     -0.66714105      0.22563158     -1.81615919
  O     -4.82235529      3.04517654     -1.64762815
  H     -2.02550515      2.93300103      1.37353745
  H     -0.28359192      1.60476093     -1.25433703
  O     -0.11083877     -1.52809742     -1.39571072
  H     -1.54410192      4.29098556      0.73404242
  H      1.42174429      5.94516564      4.19197208
  O     -0.78885444      3.57861299      3.92523037
  H     -1.01987156     -0.20660469      3.38573597
  H      0.55893259      4.74169320      3.75553862
  O     -3.52391404      6.49066460      1.54488635
  H     -1.76155598      1.05882145      2.95528182
  H     -5.40939796      3.91199573      1.45871298
  O     -3.14230430      1.62486296      1.92315880
  H     -2.98394008     -0.95837160     -0.05415661
  H     -4.74369056      5.18143696      0.90220639
  O     -3.38345476      4.81623512      3.87742650
  H     -1.72153576     -1.76432711     -0.38873687
  H      1.52436641      3.10830342     -0.32022220
  O     -0.95428764      1.14656157     -1.78370729
  H      1.25735379      1.51684966      1.29012562
  H      0.11322800      2.93927925      0.33377864
  O      1.26608223      5.34231004      3.46864517
  H      0.65825243      1.03042766      2.63719884
  H      1.40872168     -0.64135839      1.40919000
  O     -5.26375081      4.41061836      0.64554202
  H      2.64303026      2.57023337      2.44531239
  H      0.38970277     -1.76051765      1.65835136
  O      0.80177636      2.48589991     -0.17798140
  H      2.54468509      4.06062835      2.85185723
  H      3.79833663      4.33850283     -0.62130077
  O      1.08144209     -1.47512553      1.04842131
  H     -5.01072237      3.55508765     -0.83967926
  H      3.12596433      3.98218293      0.72900788
  O      2.95503470      4.28894264     -0.18060013
  H     -5.56004033      3.18000265     -2.23650704
  H     -1.73557424      5.20679950     -1.05454577
  O     -1.66705681      5.80082479     -0.29222928
  H      0.39518092     -1.49700086     -0.56372313
  H     -0.73479047      5.96423588     -0.07949729
          69
 Energy    -248.05732728550689     
  O     12.15939589      6.40786110    -10.62730637
  H     12.35388627      7.28715573    -10.24982970
  H     13.81156888     10.63408090    -14.48998801
  O     17.28660311      5.70183301    -12.88058521
  H     11.34618046      6.11025025    -10.23042486
  H     16.00246167      8.45817194    -13.45308758
  O     12.37954482     10.76632787    -11.68202316
  H     17.31655401      5.93488278    -13.82228711
  H     16.07215406      7.18911564    -12.56981338
  O     14.73569656     12.39076032    -12.10473675
  H     17.98890594      6.16676771    -12.41079517
  H     13.86654585      5.62094387    -10.47144272
  O     13.68666434      6.88633871    -17.16520378
  H     13.07117237     11.42878364    -11.78875463
  H     14.86060727      4.70098767    -11.20887015
  O     16.68388369      7.02794074     -9.44477658
  H     12.19978489     10.43039670    -12.56873002
  H     19.84061593      7.23059410    -10.98411127
  O     14.14181923      5.34061422    -14.86592726
  H     15.01955592     13.19724824    -11.68320902
  H     18.82653485      8.16374704    -11.68402243
  O     12.33759850      9.60342885    -14.30398866
  H     15.22880963     11.66260250    -11.68713446
  H     16.12565569      4.39707619    -12.81222806
  O     14.45650860     10.39228785    -17.30587624
  H     13.76477666      6.23594995    -16.45390389
  H     15.73663399      2.89987255    -12.79818035
  O     16.77235386      6.19816128    -15.50826222
  H     14.57071312      7.24024291    -17.30247335
  H     15.77721125      9.43380417    -11.55052153
  O     16.81519100      9.56443402    -14.68857167
  H     17.44880474      7.04915427    -10.02708286
  H     15.84028375     10.00155259    -10.11255142
  O     14.58848626     11.19825995    -14.62468850
  H     16.06412118      6.36974998     -9.79589747
  H     17.73107620     10.05409237    -11.79429894
  O     15.58576041      8.01094389    -12.70325841
  H     14.45101520      4.65277960    -14.26436858
  H     18.07927192      9.73325042    -13.25194273
  O     14.77733488      5.30194023    -10.46100133
  H     13.66864776      5.97850759    -14.31037127
  H     15.86541915      8.38649872     -8.81008918
  O     18.94386786      7.27522089    -11.30509443
  H     12.50647184      8.73094235    -13.91763529
  H     15.53724212      9.30857856     -7.60932418
  O     15.37118384      3.78027885    -12.83450396
  H     12.06833181      9.45006999    -15.21721459
  H     15.63640465      9.13392719    -17.36195068
  O     16.00123532     10.22498333    -11.03803443
  H     14.52403530     10.87082691    -16.46832628
  H     16.80781127      8.45446907    -18.10994984
  O     18.44971393      9.74007863    -12.35991113
  H     13.55846393     10.03879687    -17.33470815
  H     12.63332839      9.54698299    -10.36032616
  O     15.39432178      9.19925846     -8.54482968
  H     16.70474840      6.90288160    -16.15838410
  H     13.62939682      9.00758885     -9.28913518
  O     16.27261360      8.39604193    -17.32183500
  H     15.86452245      5.90256976    -15.34593832
  H     12.51138193      8.18482252    -17.09667787
  O     12.78652403      8.83540579     -9.72128409
  H     16.80297106      9.16426445    -15.56244362
  H     11.22864753      8.87593274    -17.61956566
  O     11.97879657      8.99881449    -17.04422703
  H     16.08820732     10.20595412    -14.66986309
  H     13.90725710      7.52118767    -12.92505250
  O     13.02015684      7.20048817    -13.15518452
  H     14.65472552     11.76395948    -13.84625929
  H     12.61426041      6.88712516    -12.33767862
          69
 Energy    -248.05717680788172     
  O     16.43862136     10.92970605    -15.38882005
  H     15.64322640     11.38791929    -15.09573960
  H     14.29347787     12.34749786    -11.02606623
  O     16.16954936      6.54631271    -11.30996863
  H     17.02734644     10.89743027    -14.62080811
  H     15.97520420      8.24982327    -11.95892121
  O     11.70488472      8.17116647    -12.10903895
  H     16.00898832      6.12645519    -12.16566605
  H     16.45704638      9.63881107    -12.48806322
  O     13.06301175     11.75400368     -9.71513959
  H     15.31146881      6.59499770    -10.86739018
  H     16.48655304      9.42634055    -16.21007492
  O     19.51992112      8.32462102    -13.00107881
  H     12.28564993      8.63507142    -12.73162883
  H     16.85838660      8.66051177    -17.50296367
  O     12.02717616      5.80724263    -15.91117878
  H     11.32827598      7.41350941    -12.57254474
  H     12.41094417      5.05872902    -12.60501749
  O     15.39555235      5.59285013    -13.81412257
  H     12.27075639     11.29853139    -10.04856246
  H     13.34571603      5.37550388    -11.42756990
  O     13.50062459      9.45754447    -13.73643618
  H     12.78601548     12.27402850     -8.96472357
  H     17.08579103      6.35662448    -14.32623052
  O     17.42332755     10.03392625     -9.11996751
  H     20.40822766      8.09013853    -13.25608571
  H     17.41133124      7.49703923    -15.31079007
  O     14.69455482      9.45042378     -9.58254469
  H     18.92054591      7.79555359    -13.55803809
  H      9.95385577     10.38155540    -10.59791556
  O     18.49404757      7.80960230    -10.36831794
  H     12.78488756      6.41355079    -15.87051855
  H     11.13670368      9.55702655    -11.12744886
  O     14.90931642     12.59085606    -11.72795898
  H     12.28919907      5.09969643    -16.49537833
  H     12.90363088      7.36387035    -10.91159654
  O     15.68778075      9.14495626    -12.18211852
  H     14.96814069      6.22675324    -14.40472781
  H     13.91039071      7.75421249     -9.82776727
  O     16.51639761      8.54273315    -16.62111420
  H     14.67722248      5.17497850    -13.31543822
  H     11.21990933      5.83063592    -14.35646356
  O     13.26135297      4.82459272    -12.21541112
  H     14.28216016      9.31778732    -13.17579734
  H     10.02253342      5.39541001    -13.47951754
  O     17.77775364      6.97666394    -14.58513895
  H     13.52956603     10.38329596    -14.00344488
  H     18.11685394     12.83151264    -10.35466731
  O     10.90680861     10.35769067    -10.62944039
  H     17.87524995      9.25457890     -9.47780378
  H     17.55020965     11.40971879    -10.12302645
  O     13.56507725      6.99165385    -10.31217533
  H     16.49126953      9.79369188     -9.05234822
  H     13.88610050      8.19660763    -14.95581248
  O     10.85996605      5.85105524    -13.45285461
  H     15.03862221      9.44402447    -10.48960933
  H     14.93610528      7.81251867    -16.03092906
  O     17.58281724     12.15140795    -10.75552357
  H     14.13042839     10.22900967     -9.51325439
  H     14.40314965     12.33384399    -13.36139116
  O     14.16898936      7.48346356    -15.54626509
  H     18.94840918      7.95847164    -11.20518090
  H     13.65911113     12.92684179    -14.58075391
  O     14.09583692     12.14030541    -14.26604070
  H     17.74612634      7.23571148    -10.58384693
  H     17.95437534     11.17860694    -12.28509913
  O     17.91602480     10.61293035    -13.06701768
  H     15.79935681     12.47286396    -11.37590176
  H     18.58400354      9.91887976    -12.98934179
          69
 Energy    -248.05709310502675     
  O     -0.40329508     -3.16936213      0.84260073
  H      0.13739459     -3.13895457      0.04437683
  H      3.79320637      0.03105906      2.51626544
  O      1.26288713      3.01026898      0.39611943
  H     -1.25255832     -2.76191367      0.63207029
  H     -2.51916561      0.73495877     -1.45911132
  O     -2.00571521      0.24994934      1.99151505
  H      2.21705788      2.90535038      0.50258365
  H     -1.57336162     -0.33318178     -2.04713317
  O      0.76036951     -2.84827034      3.22916578
  H      0.91265801      3.27393307      1.25644279
  H      2.04144661      1.50120508      4.59346625
  O     -2.87828180     -1.85108400      0.35324998
  H     -1.68855691     -0.11415514      2.83218336
  H      1.51623657      0.53625810      3.51147579
  O      2.97894929      4.48125609      3.12674015
  H     -2.42119611     -0.46435230      1.49362844
  H     -2.21150880      2.00245769      2.00907256
  O      3.70076013      2.22215624      4.77470745
  H      0.30779258     -3.02030910      2.38182371
  H     -3.06751735      3.26599712      2.25207393
  O      0.36532098      3.50590544      2.98731498
  H      0.93392288     -3.69508019      3.63028440
  H      0.91135682     -2.08841083     -1.80217626
  O      1.88442787      1.47397119     -3.34038153
  H     -3.72703952     -2.27896411      0.28369920
  H      1.30189263     -3.53336736     -2.19640327
  O      0.04110125      3.31211512     -2.09065050
  H     -2.78066047     -1.28411557     -0.43534688
  H     -0.47684372      0.37936778      0.95757985
  O      2.18295072     -0.71089290      2.21098030
  H      2.03205089      4.26636393      3.11957354
  H      0.63854058      1.33248219      0.40291205
  O      4.62370574      0.51907985      2.63651760
  H      3.04278458      5.42167097      3.27687328
  H      3.77100871      3.45290909      1.69300704
  O     -2.46274439     -0.20345527     -1.69747726
  H      4.19176630      1.65756743      4.16457678
  H      4.25928642      1.99774647      1.57453255
  O      1.23002209      1.15168148      4.19710739
  H      3.58769113      3.06591501      4.31927533
  H      3.68460186      0.24977997     -1.01019949
  O     -2.19850805      2.97518843      1.98425209
  H      0.57523064      2.67933914      3.44775735
  H      3.94455650      1.73682253     -0.64402378
  O      1.27212687     -2.92627065     -1.46126619
  H     -0.56139717      3.45170257      2.71889494
  H     -2.27132918      2.76866711     -0.04858258
  O      0.38137606      0.40631727      0.51572928
  H      2.33089977      1.61527995     -4.17060742
  H     -1.57051160      2.80133696     -1.42453250
  O      3.96341374      2.75571143      1.05284323
  H      2.57658940      1.40557558     -2.65770450
  H      2.81100560     -2.01629896     -0.72748261
  O      3.71201107      1.14861331     -1.36880330
  H      0.60458435      2.76137547     -2.64493011
  H      3.07936417     -1.31438926      0.60352217
  O     -2.33684058      2.44405925     -0.94995746
  H      0.49909569      3.35677496     -1.23940917
  H      0.32920729     -0.16004920     -1.20571461
  O      3.43893236     -1.43410839     -0.28192859
  H      1.55843928     -0.34360211      1.56330159
  H      0.80803219      0.15747658     -2.64979229
  O      0.31846233     -0.48391087     -2.12002651
  H      1.78007411     -1.49659778      2.60501723
  H     -0.21342113     -0.04928635      4.48700922
  O     -0.86910065     -0.72640083      4.27261849
  H      5.32900616     -0.07936710      2.39942859
  H     -0.36921362     -1.51963269      4.04397538
          69
 Energy    -248.05703852106137     
  O     12.89601380     13.47516702    -10.39001297
  H     12.55686956     12.62826533    -10.73073863
  H     15.12879828     15.09170957    -15.71702497
  O     16.43986652     12.86580502    -17.85566412
  H     12.27040498     13.77462791     -9.73474593
  H     13.72564948     15.39536314    -13.81698298
  O     16.94264016     15.61153017    -11.61275187
  H     16.27738676     13.62266230    -17.26362764
  H     12.82778793     15.96821362    -14.94085088
  O     14.63732245     11.12854396    -16.60164722
  H     16.54643752     13.21845781    -18.73464604
  H     19.31512311     11.86068650    -12.70515695
  O     13.61724397      8.23799158    -13.04193900
  H     17.20847454     15.17649383    -12.44155639
  H     18.37496237     10.81381508    -12.09533155
  O     14.50506069      7.23961272    -15.39459061
  H     17.40495744     16.44552465    -11.57889081
  H     12.84121847     10.32988895    -10.96323044
  O     15.66265901     12.26809844    -12.97454857
  H     15.17844160     11.70248615    -17.15714997
  H     11.91287293     10.73648102    -12.11817106
  O     11.92360927     10.31772514    -13.91661492
  H     15.24439581     10.50954006    -16.17074916
  H     17.70344841     11.79930931    -16.90437166
  O     16.41586758      9.29307386    -15.43918846
  H     14.01781665      8.53669444    -12.21987007
  H     17.71529806     10.48462310    -16.09297824
  O     19.69806158     12.55054012    -14.45248543
  H     13.01980153      8.94648044    -13.32058820
  H     13.12882657      8.41347259    -16.18325684
  O     13.43123743     12.52775577    -14.56516332
  H     14.20630160      7.51822226    -14.50916802
  H     13.17416164      9.87668452    -16.63119301
  O     15.98562711     14.85099827    -16.08774061
  H     14.45381477      6.28804984    -15.41663610
  H     14.96385421     10.27310471    -10.44164118
  O     13.50631878     15.32243392    -14.76392283
  H     14.83436380     12.35556921    -13.46470852
  H     14.85062909      8.84741846     -9.85176026
  O     18.95944918     11.54618484    -11.86565175
  H     15.46281953     12.27562577    -12.03056784
  H     18.15790784     12.69815212    -10.68784378
  O     12.17836258     10.97646584    -11.21904726
  H     12.37786737     11.15825902    -14.07925291
  H     17.47591406     14.08976686    -10.54093425
  O     18.24990499     11.25468921    -16.32504930
  H     11.92200567      9.86548759    -14.77239628
  H     16.27810187      9.42611444    -12.04638088
  O     12.56528703      9.17449635    -16.36593833
  H     15.86250016      8.50753385    -15.53429521
  H     16.45844871     10.69011017    -12.90067865
  O     14.74150463      9.34928658    -10.65641592
  H     16.60381201      9.38102114    -14.49429671
  H     15.05328848     15.46898270    -11.85754962
  O     17.59579788     13.23660355    -10.10946943
  H     20.59174541     12.65486134    -14.76702226
  H     13.71350228     14.74913950    -11.53587744
  O     16.83691524      9.81155017    -12.72623893
  H     19.21832343     12.04548525    -15.13405442
  H     14.50939581     12.57634878    -10.07148656
  O     14.13554721     15.37252845    -12.13893626
  H     13.83508355     12.11502022    -15.34464086
  H     16.08144761     12.42151950    -10.02440367
  O     15.24228211     11.96040503    -10.18505988
  H     13.35756045     13.47573212    -14.72384668
  H     16.86914238     13.44936133    -13.54930538
  O     17.48769255     14.13920056    -13.83888268
  H     16.56605255     14.69039475    -15.33098883
  H     18.31896042     13.69781268    -14.05148707
          69
 Energy    -248.05670362009607     
  O     10.52377810     11.62610820    -11.55021435
  H     10.69331763     11.31463068    -12.44887754
  H     16.68852786      9.55237529    -10.05152222
  O     14.90272970      8.79716594    -17.42315958
  H     10.72526616     10.90403354    -10.94530655
  H     16.86592883      6.78248017    -12.89099674
  O     15.57273350      9.00620022    -14.78495833
  H     14.88075381      9.75618304    -17.54358182
  H     16.12814102      8.02352034    -13.45036217
  O     12.95117084     12.05955810     -9.10000591
  H     13.98096825      8.51048498    -17.41046028
  H     13.08381315     14.44403933    -11.28659239
  O     14.77932502     11.65235126    -17.28448818
  H     15.75314292      9.95332569    -14.71626031
  H     13.83494651     13.80941413    -12.45739750
  O     12.86766166      8.47809517    -14.20314052
  H     15.46229646      8.80630064    -15.72627558
  H     14.60295835      7.66405618    -11.89224897
  O     13.40322493      8.33169716     -8.86422842
  H     12.30618931     11.34560479     -9.01307537
  H     13.80838162      8.93730140    -11.50795545
  O     14.20348675     10.70755794    -11.29669689
  H     12.47978072     12.80766363     -9.48794048
  H     17.38399882     11.26145090    -11.97233531
  O     11.20162207      9.88342398     -9.26173504
  H     15.10743602     12.33578534    -17.86415852
  H     17.10573474     12.76735889    -11.88032741
  O     16.34946966     13.93944554    -10.58003927
  H     15.25260683     11.75562572    -16.44244910
  H     11.77919239      9.99680256    -14.07521602
  O     13.58005077     12.27771232    -13.44488370
  H     13.76872087      8.74486728    -14.43622597
  H     11.35453884     11.06029561    -15.09772303
  O     16.84539572      9.76508773    -10.98074320
  H     12.93395838      8.13922332    -13.30225222
  H     15.98086024     12.72896319     -9.15769132
  O     16.33838635      7.53420518    -12.63486743
  H     14.26201492      8.69233223     -8.61439097
  H     14.67283666     12.18910824     -8.54697134
  O     13.94008905     14.43808072    -11.72973351
  H     13.50965857      7.99374093     -9.76442877
  H     16.55567592     11.92349230    -14.07150574
  O     13.73201179      7.97452866    -11.61265852
  H     13.85777550     11.18014417    -10.52964258
  H     15.04267395     12.01687639    -14.36932669
  O     17.39738801     12.07764936    -12.48904092
  H     15.14801244     10.55545958    -11.16066251
  H     12.86821187     11.37242906    -16.99217953
  O     11.30349381     10.83439102    -14.15706667
  H     10.47538520      9.57575158     -8.72498478
  H     11.94899071     10.14031056    -17.00188539
  O     15.63730631     12.12062162     -8.49256938
  H     11.94607066      9.28110789     -9.08740386
  H     15.92046569     10.43195677     -8.30734923
  O     15.89453409     11.76642050    -14.76082136
  H     15.48556791     14.15564568    -10.97379668
  H     16.50790446      9.23699644     -7.51938155
  O     11.96219203     11.08876910    -16.82182228
  H     16.78974246     14.77101638    -10.42159757
  H     11.05698357     13.17116523    -10.94570565
  O     16.02344403      9.46189976     -8.30945176
  H     12.74221645     11.92719034    -13.76667184
  H     10.69010794     14.52377071    -10.29030173
  O     11.42618822     13.95606448    -10.50068334
  H     13.81906297     11.72881069    -12.68078570
  H     11.50384663      7.53936892    -17.05587222
  O     12.15489675      8.21154861    -16.87090998
  H     16.77651045      8.94506285    -11.48578362
  H     12.30755843      8.19593880    -15.91160680
          69
 Energy    -248.05668872308405     
  O     15.55704390     11.42736743    -11.35678771
  H     15.94983320     10.95228794    -10.61507666
  H     17.69108928      4.10043838    -13.27997401
  O     14.76624571      7.15569426    -15.20622938
  H     16.14810263     11.28898980    -12.10590245
  H     18.45630844      9.99854944    -12.07320286
  O     15.03219127      5.16515225    -11.13936344
  H     14.87198008      6.24330523    -14.90469230
  H     18.84984668      8.58717977    -11.58040606
  O     18.63847044      6.85076642    -12.26963767
  H     13.92548491      7.46209669    -14.83620128
  H     15.78006481      7.71798392    -13.77986345
  O     15.51003171     11.03530207    -15.54711651
  H     15.04954530      6.07707070    -10.82042012
  H     17.01992969      7.53328664    -12.82481689
  O     10.89525759      6.63479847    -10.14259737
  H     14.12052660      4.84893136    -11.04244849
  H     12.49961959     12.14950085    -11.53553576
  O     12.37782213      7.68804063    -13.91759049
  H     19.02825853      6.63074193    -13.12658378
  H     13.84605894     11.39222126    -11.62150770
  O     15.08237187      7.88330374    -10.50836190
  H     18.38691002      6.01897759    -11.84862857
  H     13.08143260      4.67572428    -14.09163597
  O     18.39806970      8.70175890    -15.54983274
  H     15.66667621     10.35844072    -16.21420269
  H     11.70592674      4.23520320    -14.64090890
  O     19.37651491      6.27133939    -14.89393943
  H     14.60740492     10.88494983    -15.22762659
  H     12.91203103     10.81007235    -13.62371537
  O     16.05024718      8.65750088    -17.10080686
  H     11.38421194      7.39433794    -10.49636418
  H     12.65061102      9.54049943    -14.44600647
  O     17.53912719      4.14812117    -14.23252885
  H     10.29561008      6.98697256     -9.49014358
  H     16.70234255      4.59560011    -11.20916074
  O     18.75844119      9.50771681    -11.29881379
  H     12.39947476      7.94319557    -12.98466935
  H     17.88391087      3.74344326    -10.69255593
  O     16.19762702      8.02212117    -12.96607922
  H     12.10914021      6.76203647    -13.94837309
  H     14.91662793      4.91848364    -12.98982891
  O     12.88837883     11.31463492    -11.78214143
  H     15.62118240      8.45764664     -9.95278173
  H     15.77180273      4.40122442    -14.17336198
  O     12.12492549      4.83679027    -14.03013443
  H     15.42588631      7.99153518    -11.41127077
  H     12.14011112      4.54851645    -12.09944332
  O     12.99979557     10.43650395    -14.50924268
  H     18.19323573      9.39241650    -14.91149649
  H     11.82631550      5.18731373    -10.73383657
  O     17.64164457      4.38702705    -11.35331768
  H     17.66863856      8.70534460    -16.18409075
  H     13.38267302      8.33553074    -10.91129498
  O     14.88523661      4.70749697    -13.93353750
  H     20.21965648      6.14755654    -15.32206404
  H     12.53739978      9.55057124    -11.37783329
  O     12.39259840      4.53386409    -11.16963578
  H     19.04295549      7.14025560    -15.18186917
  H     17.59119515      9.67531710    -10.00707569
  O     12.51443279      8.59336708    -11.25339965
  H     15.55262431      8.09171731    -16.48564683
  H     17.21194908     10.05576006     -8.55623659
  O     16.84372249      9.77910433     -9.39083257
  H     15.75356031      8.43789449    -17.97996675
  H     16.82621247      9.65930183    -13.28201735
  O     17.23348107     10.50782182    -13.52127530
  H     18.14954213      4.81670161    -14.56591106
  H     16.68970848     10.86020899    -14.24448096
          69
 Ord_Energy   -248.056473    
 O    1.51206398       9.48948765      -11.4172688    
 H    1.13216460       9.28297043      -10.5522604    
 H    2.46879983       9.54042244      -11.2891407    
 O   0.577163398       9.01992035      -8.80877781    
 H   0.560810745       9.85965729      -8.32812023    
 H    1.43318284       8.61720943      -8.60369587    
 O   -2.71738720       12.6797123      -12.5853720    
 H   -2.01320457       12.5604782      -13.2349691    
 H   -2.40904689       12.2605133      -11.7654390    
 O    3.82928753       12.1022310      -9.13154888    
 H    3.08144116       12.7106352      -9.17262745    
 H    3.82205200       11.7320919      -8.23931503    
 O   -5.81048203       11.0705595      -10.1681690    
 H   -5.38662338       10.8459568      -11.0147915    
 H   -6.73262835       10.8423529      -10.2546148    
 O   0.827784181       11.4190197      -7.41149807    
 H   0.155026779       11.6732750      -6.76454163    
 H   0.952748537       12.1525059      -8.02972126    
 O   -1.61037815       11.5546093      -10.3266087    
 H   -1.69927526       10.5973558      -10.2391758    
 H  -0.732703447       11.7510691      -10.6782360    
 O    3.37414384       10.7623720      -6.65402508    
 H    3.54368401       10.9657650      -5.73803473    
 H    2.44291949       10.9881868      -6.82455158    
 O   -4.89527416       13.6179962      -9.22637939    
 H   -5.27181196       12.8242378      -9.62835121    
 H   -4.46567583       14.1211290      -9.92928123    
 O    1.29330909       13.4471092      -9.27086353    
 H    1.21161807       13.0723362      -10.1604366    
 H   0.547614217       14.0561161      -9.17671013    
 O   -4.51082802       10.5028191      -12.4772968    
 H   -3.96906185       11.2754478      -12.6832857    
 H   -3.92811346       9.73634720      -12.5370045    
 O    3.23232865       8.43722248      -8.32354832    
 H    3.38920093       9.11569691      -7.65371370    
 H    3.65563941       8.77085781      -9.12371922    
 O   -1.20654631       12.1792946      -5.75740290    
 H   -1.82293761       12.3795071      -6.48149967    
 H   -1.73693132       12.1047945      -4.96872997    
 O   -2.68362284       8.29972553      -12.4093094    
 H   -2.93871951       7.38841581      -12.5310097    
 H   -2.43131137       8.39809322      -11.4740753    
 O    4.16301441       9.87909698      -10.6669464    
 H    4.07241297       10.7163534      -10.1772776    
 H    5.02777767       9.88734818      -11.0679607    
 O   0.803914011       12.1487627      -11.6354008    
 H   0.463352561       12.2901344      -12.5259295    
 H    1.13668692       11.2401018      -11.6004305    
 O   -3.23911619       14.9746723      -11.1606417    
 H   -3.07732272       14.2305489      -11.7633152    
 H   -3.47466063       15.7223339      -11.7049332    
 O   -3.91522765       9.98199177      -8.32695103    
 H   -4.62910128       10.2665911      -8.91314888    
 H   -3.53574586       10.7987909      -7.98539019    
 O   -2.69500613       12.6166945      -8.00375366    
 H   -3.52605772       13.0230513      -8.29340458    
 H   -2.25769496       12.2742300      -8.79892731    
 O   -1.96663058       8.80087280      -9.84690189    
 H   -2.65368891       9.07900620      -9.22153187    
 H   -1.12153459       8.72354031      -9.38327694    
 O  -0.477961212       12.0885267      -14.1630878    
 H  -0.175306499       12.2472582      -15.0525684    
 H  -0.452046514       11.1232882      -14.0215397    
 O   -1.13534331       14.8119450      -9.12234688    
 H   -1.74483716       14.9885912      -9.84818649    
 H   -1.63286126       14.2419100      -8.52568913    
 O  -0.357736468       9.47475433      -13.5359440    
 H   0.320684105       9.33221531      -12.8622160    
 H   -1.15459228       9.02824879      -13.2251892    
          69
 Energy    -248.05644619546433     
  O     -1.32762886      5.33714447      3.55171831
  H     -0.73938125      4.99834691      4.24277275
  H     -4.05180324     -1.63384448      2.39794744
  O     -1.34458454      3.33540615      1.65788453
  H     -2.00633359      5.83581278      4.00086818
  H     -2.98594488     -3.54096270      5.28791692
  O      0.47795318      4.17161399      5.36023569
  H     -1.35165903      4.11360786      2.23160260
  H     -2.93024971     -2.74643397      3.96562480
  O      0.13462532     -3.58099526      0.66424162
  H     -0.42524106      3.12848732      1.44211992
  H     -1.31997966      0.01367973      2.51511666
  O      0.13568473     -0.62925350     -1.64930458
  H      0.97980779      4.57881915      6.06149081
  H     -0.56129490     -1.36450022      2.63023555
  O     -2.00478448     -1.79063985     -0.05624327
  H      1.12046897      3.89821168      4.67873014
  H     -3.86299454      0.57200827      2.62886179
  O     -2.28672874      1.31927997      3.27672210
  H      0.09073505     -3.50204474      1.62706676
  H     -4.42586216      0.19517941      1.23810441
  O     -3.92958027      0.15783874     -0.63329045
  H     -0.67269246     -3.17806558      0.32152090
  H     -0.19436448      2.37336284      5.46029331
  O      0.32124460      2.07693994     -1.79195941
  H      0.89451694     -1.13459568     -1.33334285
  H      0.43183199      1.10282164      4.84949017
  O      2.19267283     -2.15311129     -0.37894077
  H     -0.63924331     -1.03990566     -1.24971386
  H      0.64470289     -2.73268690      4.05581488
  O     -0.75336833     -1.15149239      6.33650127
  H     -1.56776895     -1.32069299      0.67408689
  H     -0.86079635     -3.08651112      3.93209709
  O     -3.60431345     -2.49529376      2.40338215
  H     -2.73271102     -1.22208546     -0.34141042
  H      2.30205639      2.28570026      3.76329123
  O     -2.46889181     -2.89713159      4.81061260
  H     -2.02659805      2.05397057      2.70099471
  H      1.94245401      3.17282583      2.55164182
  O     -0.73695838     -0.60559135      2.05797047
  H     -1.73507237      1.38295021      4.06672812
  H      0.88879646     -0.20033839      1.58877099
  O     -4.55571136      0.06317770      2.18508055
  H     -3.37199893      0.95434740     -0.69868810
  H      2.13867348     -0.71774268      0.83602989
  O     -0.36453435      1.44092577      5.28486827
  H     -4.62746657      0.25739314     -1.27529418
  H      0.82141846     -1.73348339      5.89499832
  O     -0.04904351     -2.95420896      3.42290065
  H      0.27794846      1.10401732     -1.76814807
  H      2.15712402     -2.47591307      6.15673762
  O      2.16376398      3.20276941      3.49043832
  H      0.60975591      2.31763741     -2.66837072
  H      2.06038358      0.22272469      3.21233689
  O      1.83617383     -0.03589775      1.44529504
  H      2.86969336     -2.71193559     -0.74996296
  H      2.07037842     -0.38230203      4.63858965
  O      1.65987593     -2.01737868      5.48505420
  H      1.51231328     -2.74305381     -0.00664272
  H     -1.48105439      2.27685789     -1.21060037
  O      2.03587459      0.45054883      4.15359990
  H     -0.78630729     -0.21906196      6.08430605
  H     -2.12493218      2.75830610      0.09603898
  O     -2.32204941      2.31570488     -0.74073297
  H     -1.45730045     -1.60785851      5.85975110
  H      1.53428236      1.70601689      1.03372116
  O      1.24885727      2.61012457      0.83644896
  H     -3.15255150     -2.54726597      1.55814703
  H      1.00861931      2.59545549     -0.09858391
          69
 Energy    -248.05644512948982     
  O     14.94246332     12.31811612    -12.56628232
  H     15.89229269     12.44630108    -12.67514630
  H     18.42079411      5.80124511    -15.33322144
  O     14.17275332      7.28559692    -14.12498717
  H     14.62170732     12.05091141    -13.43918033
  H     17.48166798     11.77065672    -16.26632012
  O     18.08147635      6.82998011    -11.98036286
  H     13.63235020      7.59369498    -13.38507273
  H     18.05780508     11.86537949    -14.82395963
  O     19.46800704      9.17995360    -16.08381062
  H     14.88034091      7.94119953    -14.23002020
  H     15.57809506      9.96031094    -14.78981973
  O     12.92038018      9.04242043    -15.98184317
  H     17.90975002      6.63581636    -11.05043167
  H     16.43842234      8.80255143    -15.41160196
  O     15.07675164      8.05126439     -9.08418694
  H     17.38732106      6.37838412    -12.48259340
  H     15.44684922      4.92701574    -11.78586135
  O     12.80520980      8.45439829    -11.99409670
  H     20.27923780      9.34758422    -16.55715938
  H     15.86374419      5.22578017    -10.33202163
  O     17.49391806      9.50699535    -12.31182175
  H     19.06120539     10.04900369    -15.91917035
  H     11.65888276      9.24541593    -13.20000288
  O     14.98756774      9.46687352    -17.94510918
  H     12.15715575      9.28008624    -15.43431118
  H     10.71749580     10.40048301    -13.57044223
  O     12.98177798      6.37487873    -10.12285153
  H     13.32252311      8.29524416    -15.51955902
  H     19.19094747      6.89797510    -13.52441595
  O     17.09118594      7.91212849    -16.87341629
  H     15.03340724      8.82762743     -9.65813408
  H     19.54003731      7.69733712    -14.81714257
  O     17.69837650      5.34920724    -15.80776059
  H     14.29003234      7.53125257     -9.28893393
  H     16.58581936      5.26805532    -14.27446121
  O     18.25037680     11.56580654    -15.72075044
  H     12.73248753      7.74039705    -11.34808145
  H     15.35541791      6.01581555    -13.70668041
  O     16.09768055      9.17144755    -14.58728015
  H     13.53309085      9.02369861    -11.70412006
  H     16.45804521      6.99038913     -9.22974796
  O     15.13509280      4.89594008    -10.87193844
  H     17.03003082      9.39765976    -13.15922137
  H     17.53830148      6.12388343     -8.53982208
  O     11.16594592      9.64142171    -13.93572834
  H     17.81259959      8.62704324    -12.07874535
  H     15.81894119     12.54332687    -18.09632965
  O     19.50813102      6.81293445    -14.43300869
  H     15.66780577      8.82061031    -17.71308830
  H     15.61551653     11.06767104    -17.67325181
  O     16.10819888      5.45797782    -13.45904185
  H     14.20470735      9.25338151    -17.42143755
  H     14.82618595     10.86277227    -11.49741279
  O     17.15037408      6.32336349     -9.38745967
  H     12.34166067      5.82084704     -9.68443519
  H     15.85292692      9.72507307    -11.44787315
  O     15.92662340     11.93918006    -17.36663935
  H     13.69848968      5.78935146    -10.42661908
  H     17.80111215     11.23731098    -12.63643040
  O     14.97572012      9.97859846    -11.13260762
  H     17.18332009      6.98648439    -16.61539098
  H     18.44423164     12.62324735    -12.40807305
  O     17.81425040     12.15692612    -12.95273316
  H     17.96004387      8.32095358    -16.75432161
  H     13.76867616     10.62843391    -15.43093626
  O     14.37509924     11.31419140    -15.12005437
  H     18.08003132      4.58793067    -16.23678009
  H     14.81460474     11.68731467    -15.89520339
          69
 Energy    -248.05561176657486     
  O     12.20677623      9.86468844    -11.05475834
  H     11.59822534     10.58526786    -11.26160445
  H     13.83996921      7.90275604    -12.98408984
  O     12.00915251      7.70123068    -12.80822990
  H     12.14808697      9.19365695    -11.74412474
  H     14.38809659     14.15741305     -8.59597820
  O      8.85834911     10.35104934    -12.89273679
  H     11.46966398      8.07993618    -13.51570271
  H     14.59895648     14.42647404     -7.08787775
  O     14.66539120     10.39771720    -10.05285620
  H     11.42248373      7.34104077    -12.12909255
  H     10.45697534     12.24707698     -9.76243224
  O     15.65533971      7.75921483    -10.31529523
  H      8.57210912      9.68622921    -12.25403624
  H     11.34195889     11.96431664     -8.51292135
  O     12.40274238     15.68522382    -11.27488338
  H      9.37395636      9.89122968    -13.56639718
  H     12.18636322      9.56330771     -8.01349999
  O      8.13505296      8.52903697    -10.80553997
  H     13.81522100     10.21852740    -10.49012454
  H     11.85305158      9.18823250     -9.45750500
  O     12.50252363     13.36157821    -12.84774867
  H     15.15231453      9.56619383    -10.06609493
  H     12.67951505      6.23399077     -9.85557296
  O     14.83171574     14.53462644    -10.25270203
  H     16.41993269      7.27947126    -10.00744174
  H     12.89753633      7.39017195     -8.87249111
  O     10.48944352      6.99378755    -10.55992259
  H     14.87519592      7.30583161     -9.95192732
  H     14.96163452     11.69241874    -11.27654874
  O     11.53979923     14.91563727     -8.81675409
  H     12.01421394     15.43979226    -10.41589743
  H     15.17817244     11.80736379    -12.79996230
  O     14.76255327      8.19157237    -13.00127299
  H     12.16294321     16.59404654    -11.43424610
  H     11.28858402      9.91633806    -14.76374013
  O     14.02242002     13.98902795     -7.70879560
  H      8.40127399      9.05738342    -10.03120251
  H     10.43197495      8.99870455    -15.66949404
  O     10.48351317     12.30850442     -8.79338805
  H      7.22466859      8.28033061    -10.66576294
  H      9.86610578     11.53842432    -12.05768198
  O     11.78539295      8.86302953     -8.54275767
  H     13.34529175     13.00052662    -12.53645480
  H     11.11383157     12.51492756    -12.04945652
  O     13.35316655      6.66831866     -9.32917755
  H     12.41267698     14.22857327    -12.43191372
  H      9.35249148     10.79593348     -8.63605574
  O     14.98526901     12.32542921    -12.00885185
  H     14.10829502     15.03551327    -10.64952896
  H      9.90875419      9.39897552     -8.40565826
  O     10.65756028      9.17273280    -14.75953863
  H     15.04139561     13.83302447    -10.88223397
  H     12.35847127     12.01505726    -14.18632278
  O     10.51697450     11.99047033    -11.50062475
  H      9.62201000      7.39165865    -10.72207453
  H     13.39184732     10.95659033    -14.60446986
  O      9.09859635      9.86348998     -8.64460567
  H     10.81141838      7.43439856     -9.76755950
  H     15.86629256     10.45544485    -14.87867362
  O     12.45663336     11.18611599    -14.67040941
  H     12.33776349     14.71491217     -8.31262255
  H     15.07574322      9.69718424    -13.78498209
  O     15.19826146     10.56663252    -14.20750901
  H     11.00144284     14.11473051     -8.76669045
  H     13.37486394     12.22180234     -7.70392441
  O     13.06362015     11.34094594     -7.94861139
  H     15.12830992      7.99530634    -12.13128448
  H     13.69038515     11.03176379     -8.61859186
          69
 Energy    -248.05558966392726     
  O     15.48160727     10.19776622    -14.86363123
  H     14.55503073      9.94429382    -14.78038743
  H     15.76276221      2.59846175    -18.17341719
  O     13.93773146      4.31557943    -16.26702395
  H     15.67198799     10.17207307    -15.81479365
  H     17.64740811      7.90442636    -16.42671068
  O     18.11275576      6.81868983    -12.01977651
  H     14.10115122      4.26229120    -15.31559130
  H     18.86205498      7.72958647    -17.34671608
  O     19.27817056      5.95739135    -18.00795922
  H     13.75639519      5.24733415    -16.44964696
  H     15.55723459      6.90735096    -15.98368848
  O     16.60240396      5.90640991    -19.12621355
  H     18.89325779      7.35568300    -12.21309380
  H     16.36095104      7.24830853    -14.70096335
  O     14.08813122      6.07743530    -10.26902384
  H     17.35720846      7.32593895    -12.35748870
  H     12.03332042      9.26781670    -14.50937031
  O     14.57009209      4.45469681    -13.55050971
  H     20.10934520      5.56362377    -18.26050958
  H     13.01799320      8.21393478    -13.95667593
  O     16.02452433      8.12138841    -13.12890955
  H     18.92348863      5.41826956    -17.28165982
  H     16.82519225      4.18698743    -10.24348644
  O     17.85717918      4.57905053    -16.05323981
  H     16.33531070      5.05151269    -18.76537640
  H     17.02438484      3.55309211    -11.62965259
  O     13.98846679      3.30220136    -11.04465067
  H     17.53203049      6.00725807    -18.89316292
  H     13.44719740      7.77017042    -16.08392601
  O     18.48609578     10.04502214    -14.61213623
  H     15.01537099      6.14437886    -10.01056955
  H     14.02953543      7.45205268    -17.50621574
  O     15.96219675      3.45369883    -17.80350377
  H     13.93114412      5.13629683    -10.41882647
  H     20.82965544      9.09388958    -12.67938092
  O     18.34913329      8.39736196    -16.88146261
  H     15.53506460      4.47643318    -13.49151830
  H     19.47580523      9.18009736    -13.40015929
  O     16.43379554      6.86133587    -15.58194940
  H     14.25753038      3.98236301    -12.76823821
  H     17.74579552      5.23622250    -12.89844540
  O     12.89410004      8.88186486    -14.65281819
  H     15.90799189      8.92965119    -13.64757793
  H     17.71459964      4.33700749    -14.17269588
  O     16.67720254      3.37453674    -10.74478731
  H     15.14948467      7.76862359    -12.92298788
  H     17.41094809      6.33374772    -10.45996568
  O     13.83854372      7.08167136    -16.63413661
  H     17.28459400      4.03443997    -16.60924263
  H     17.35846180      6.38382914     -8.91759345
  O     20.00139213      8.63545390    -12.78998311
  H     17.34704070      5.38366591    -15.85672300
  H     15.45637219      7.22185655    -19.16161008
  O     17.38742357      4.41676856    -13.26921310
  H     13.57861496      2.51565115    -10.69615286
  H     14.43384737      8.03375030    -19.99117321
  O     16.92557914      6.01142516     -9.68176703
  H     14.94623686      3.21869852    -10.88349975
  H     13.81681601      6.11428016    -13.21068324
  O     14.78926134      7.93024607    -19.11261275
  H     17.57456321     10.34967771    -14.59793674
  H     13.59744486      6.79310519    -11.84778875
  O     13.53474423      6.94523647    -12.80281558
  H     18.58022050      9.54357658    -15.43459734
  H     15.61408014      9.36503960    -18.14289513
  O     16.10553527      9.93849227    -17.54410879
  H     15.19098170      3.71543093    -17.26697104
  H     16.98285484      9.53752226    -17.47614235
          69
 Energy    -248.05549320908028     
  O     16.25997414     10.68506801    -16.74618924
  H     16.58482910     10.04703386    -16.08995731
  H     21.15973982      9.42759756    -17.44935770
  O     14.76317536      6.58923486    -13.18439891
  H     15.43647743     11.03349262    -16.38780428
  H     17.93917415      8.47102386    -14.79271079
  O     19.14407371     13.65266419    -11.56160373
  H     14.94712734      6.48768896    -14.12603340
  H     16.64468078      8.89767799    -14.02013248
  O     19.70180166      7.95672623    -14.57227545
  H     15.50313509      6.17050482    -12.72358119
  H     13.08031096     11.74095679    -15.61793476
  O     15.38843332      6.86901051    -16.02426249
  H     19.21137180     14.60235795    -11.60066147
  H     13.63910408     10.35081310    -15.24299240
  O     17.86277285     10.64221660     -9.45315926
  H     18.24865193     13.44238976    -11.23267746
  H     17.74790676      7.30560248    -11.22331831
  O     15.72466226      9.06216624    -12.41867789
  H     20.06021083      8.35156328    -15.37819486
  H     18.57072889      8.61198242    -11.49259951
  O     18.40502111     11.88076450    -13.67824544
  H     19.89328793      8.55005417    -13.83313876
  H     13.91312902      8.00879566    -15.60594467
  O     18.51451346      5.47051055    -14.25295928
  H     16.00272918      7.53131543    -15.66520912
  H     13.22866174      8.14365527    -14.25564971
  O     17.41094546      5.10623258    -16.84821195
  H     15.93900606      6.13796433    -16.33120393
  H     20.10991901     12.31361592    -10.78221565
  O     17.16760666      5.65640677    -11.94340286
  H     17.78661396      9.73828875     -9.78312823
  H     21.24486046     11.77424514     -9.88227390
  O     20.36449534      9.19252540    -16.97906755
  H     18.78386441     10.88632073     -9.59944581
  H     20.15042366     10.21040643    -11.74956062
  O     17.02650165      8.76576569    -14.89694139
  H     15.25042818      8.24497381    -12.62334792
  H     19.21046630     10.41514436    -12.94931778
  O     13.87221071     11.29063696    -15.33481235
  H     16.41959700      8.83402065    -11.78660421
  H     16.96803898     12.04620954    -10.24316480
  O     17.88620882      8.21644385    -10.93454757
  H     17.44450910     11.82995980    -13.56955325
  H     16.20945712     12.51129409    -11.51886236
  O     13.33989034      8.59574880    -15.09434592
  H     18.71532563     12.57283107    -13.08285833
  H     19.17562500      7.88719893    -17.75266304
  O     20.49215528     11.50537151    -10.40321581
  H     18.16150276      5.24467856    -15.12104913
  H     17.74215958      7.72266621    -18.31944461
  O     19.71040660      9.73948332    -12.46692737
  H     19.04510129      6.27050772    -14.37599551
  H     15.60768599     10.77361710    -12.80447731
  O     16.72684918     12.82530293    -10.76718446
  H     17.88323131      5.83183532    -17.29840259
  H     15.02384599     11.72045467    -13.87114268
  O     18.53379110      7.23398421    -18.04843341
  H     17.45866855      4.34852833    -17.42447363
  H     18.02097269     11.31622635    -16.71806644
  O     15.65774171     11.68022646    -13.14706398
  H     17.26507658      4.84681026    -11.44861334
  H     18.85568427     11.64805424    -15.47620572
  O     18.93220350     11.41154975    -16.40981054
  H     17.66923395      5.54288794    -12.77175286
  H     15.62187522      7.87920376    -17.81686986
  O     16.06729062      8.45610158    -18.44563088
  H     19.87878942     10.02113202    -16.81595591
  H     16.09172766      9.32414166    -18.01918989
          69
 Energy    -248.05529058290648     
  O      1.14521344      1.20861438      4.33751364
  H      0.97090305      2.15492958      4.26106940
  H     -1.66327238      0.30327759      4.21799376
  O      0.70609856     -0.31314669     -3.14318189
  H      0.35859259      0.83912902      4.75406675
  H     -0.23068372      2.64722400      1.03213229
  O     -1.30640582      0.31454910     -1.19692990
  H     -0.09450977     -0.05501957     -2.66912897
  H     -0.46656809      3.37125401      2.39726013
  O      1.39730670     -2.72119875     -1.75185920
  H      0.91626547     -1.20244181     -2.82991308
  H     -2.91459981      1.07064402     -1.10258597
  O      3.05735792     -1.09074788     -0.34680198
  H     -1.27965484     -0.60622677     -0.90170027
  H     -4.22238077      1.46539571     -1.82444454
  O     -4.49733341      3.29485618      3.62680132
  H     -0.59744564      0.78154000     -0.73334869
  H     -2.74572587      0.27918687      2.07303353
  O      0.19685861      3.89101633      4.03834000
  H      1.86782846     -3.49712392     -2.04433130
  H     -1.58841354      1.33451455      2.17216312
  O      2.67718346      1.21058620     -2.03922741
  H      2.01997188     -2.20236484     -1.21121494
  H     -0.23795410     -2.59919130     -0.87889887
  O     -5.22044353      0.55070700      3.81374085
  H      2.79293054     -0.79835081      0.53558821
  H     -0.75713872     -2.27189394      0.55157066
  O     -3.96563764     -0.46638042      6.00539843
  H      3.11508392     -0.29292770     -0.88672800
  H      1.14542696     -0.80946759      2.03389206
  O     -3.57378278      3.42874049      1.08459108
  H     -5.12015896      4.00297566      3.77066321
  H      1.73434316      0.37030501      2.83069666
  O     -1.48685506      0.19769198      5.16687957
  H     -4.21263798      3.35904425      2.69791278
  H     -2.93937814      3.12252729      4.67113408
  O     -0.90996680      2.98755313      1.63048924
  H      0.50309407      4.71663879      4.40243531
  H     -1.98426094      2.09939861      5.33150774
  O     -3.80135759      1.44632192     -0.96871682
  H     -0.63655307      3.67018676      4.49476730
  H      1.51143324      1.63905837     -0.64567807
  O     -1.87681037      0.45880321      2.45571373
  H      3.19442022      1.70215581     -2.67087023
  H      1.20450911      1.02682823      0.74922653
  O     -1.02556064     -2.35745052     -0.37748157
  H      2.01204854      0.70955030     -2.54456102
  H      0.57696297     -2.33265123      5.47938560
  O      1.81999336     -0.11700481      1.99891132
  H     -5.03666280      0.21448032      2.92730288
  H     -0.65317826     -1.48394428      5.13159286
  O     -2.10293194      3.03759548      5.14630586
  H     -5.04482813      1.49940594      3.77641531
  H     -0.91277575     -1.02031482      2.25383657
  O      0.85372596      1.60904377      0.05863770
  H     -4.47713914     -0.14870735      5.24057079
  H     -0.28625268     -2.16574535      3.09733072
  O     -0.18916507     -2.30489178      4.90964578
  H     -4.59338924     -0.86965019      6.59753192
  H     -3.90781701     -3.60203202      0.41329140
  O     -0.36422936     -1.81908736      2.19863347
  H     -2.61489089      3.40450412      1.22116617
  H     -2.79457021     -2.66908202     -0.08725321
  O     -3.72414302     -2.69301604      0.18794764
  H     -3.74275299      2.84970063      0.33353988
  H     -4.28341378      0.36674539      0.49201264
  O     -4.29840969     -0.21535457      1.26127451
  H     -2.32316151     -0.07901711      5.57554522
  H     -4.17782392     -1.11707786      0.92988419
          69
 Energy    -248.05517084532372     
  O     11.73485357     12.08700719    -14.88628305
  H     12.01229588     11.70514685    -14.03990596
  H     20.41686915      8.00304476    -12.59208332
  O     18.65830937      8.10223919     -9.90729211
  H     10.91839954     12.54918862    -14.71274410
  H     18.39049567     12.12494719    -14.28966292
  O     16.62462967     11.26000390    -11.74375627
  H     18.60985091      7.23375464    -10.32477604
  H     17.91828841     11.99554338    -15.74772571
  O     12.39508796      8.30783856    -14.10342445
  H     17.75587108      8.44815878     -9.91720422
  H     13.25180752      8.05293744    -15.64480486
  O     15.92503338      6.64901931    -12.22501766
  H     16.45294683     10.46132736    -11.22484534
  H     13.23360975      7.32277107    -17.00431207
  O     13.19213755      6.65026065    -11.94395929
  H     17.50760130     11.16985449    -12.12561229
  H     15.78227784     10.70464176    -13.27190653
  O     18.49936104      5.76589938    -11.59816844
  H     12.24119782      9.15281726    -13.67316966
  H     15.06651266     10.91768695    -14.65376513
  O     14.31802236     12.13547826    -15.86843946
  H     12.61918250      7.69097955    -13.39328298
  H     14.79630745      9.33615104    -17.16764566
  O     18.56724190      8.78678334    -15.01879735
  H     15.98818015      6.98154820    -13.13330834
  H     14.90327860     10.86926951    -17.02944831
  O     16.01663794      8.87270009    -10.47141819
  H     16.77030057      6.23718954    -12.00735423
  H     13.10630914      8.25067970    -10.84863529
  O     17.95439276     10.60377812    -17.07192457
  H     12.86150253      5.81325760    -11.62716537
  H     13.03294842      9.77002291    -11.07802663
  O     20.08004401      7.30560885    -13.16806658
  H     14.15802989      6.56365414    -12.00838952
  H     21.34160452      9.61202152    -10.70915668
  O     17.91437792     12.59084383    -14.98861884
  H     19.07812495      6.25722314    -12.20920751
  H     19.92237560      8.99413450    -10.71582643
  O     13.78526463      7.85093758    -16.43314409
  H     18.90685873      4.91559821    -11.45753847
  H     15.94201895     15.03643538    -14.65628049
  O     15.29084153     10.26472543    -13.97861006
  H     13.37907018     12.17157636    -15.63761332
  H     16.55326556     13.61665803    -14.64312071
  O     15.31970868     10.09733845    -17.44084038
  H     14.73907403     12.91910991    -15.49293713
  H     14.81750055     13.52251889    -12.87499505
  O     13.26850944      9.10162313    -10.42299210
  H     17.71423415      8.33692268    -14.93947881
  H     15.26481738     12.53708374    -11.79444474
  O     20.60416022      9.40634517    -11.27684808
  H     18.48735756      9.36838890    -15.78535591
  H     18.82877352     10.09046188    -13.73368259
  O     15.72986470     14.11938559    -14.50426190
  H     15.08308661      9.02390079    -10.26631512
  H     19.63670145     10.44819897    -12.46301404
  O     14.49962589     13.04667325    -12.09897238
  H     16.02859991      8.13775635    -11.09891250
  H     13.66939712     10.45547395    -13.12481826
  O     19.00162429     10.80020890    -13.09858372
  H     17.01973579     10.38525443    -17.23720226
  H     13.30128558     11.71543811    -12.34818206
  O     12.92775053     10.87566661    -12.66260902
  H     18.35449389     10.75403881    -17.92447630
  H     15.76229822      8.67692778    -14.42046937
  O     16.00166690      7.77966718    -14.71337656
  H     19.65730001      7.75335904    -13.91315081
  H     15.35953876      7.56325959    -15.39768597
          69
 Energy    -248.05484210717148     
  O      1.07702183     -7.14606071     -5.33339417
  H      1.39689933     -7.69334655     -4.60328250
  H      3.15496407     -7.77470587     -3.21356982
  O      3.37552349     -5.92933355     -6.12646398
  H      0.49647196     -6.48150093     -4.94185142
  H      2.99847669     -4.87518198      3.33146564
  O      2.42242368     -6.46302114      2.92017231
  H      2.54013626     -6.39757693     -5.94764262
  H      3.42368245     -3.76338450      4.32457685
  O      2.31355366     -5.21837938     -0.50098336
  H      3.54385351     -6.01371069     -7.06099277
  H      3.02227236     -3.90329244     -3.72136600
  O     -0.40977380     -8.46669231      0.03504387
  H      2.98706830     -6.81721624      2.22096504
  H      2.74965576     -4.36098975     -5.16417864
  O      1.70109900     -3.12160739      1.25363155
  H      1.51340649     -6.50926624      2.59985175
  H      2.93487222     -8.58050657      0.03826786
  O      5.58089803     -2.70439827     -0.67748571
  H      2.04781929     -4.51177782      0.10190281
  H      1.48317680     -9.07949674     -0.11813291
  O      4.11277399     -4.34317153     -2.36177810
  H      1.52528081     -5.62387533     -0.88067264
  H      0.09790710     -6.09425260     -2.53894727
  O     -0.09200117     -4.93396119     -3.89011215
  H     -1.03899811     -9.09370560     -0.31275224
  H      1.08573970     -7.25697672     -2.26170999
  O      4.60575090     -6.69450552     -3.67025355
  H     -0.22480509     -7.82781704     -0.67757830
  H      5.02429383     -5.38737432      1.16879725
  O      3.00085746     -1.40651597     -0.37555626
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  H      4.69681742     -4.21350823      2.10481328
  O      2.33724659     -8.25759180     -3.03652577
  H      2.14492453     -2.42895930      0.73815952
  H     -1.88960660     -2.59268630     -1.96030664
  O      3.33786595     -3.96385001      3.39685238
  H      6.43905496     -2.29318720     -0.62231597
  H     -1.01583811     -3.53441691     -1.10401094
  O      2.40523527     -3.79831536     -4.46179666
  H      5.51395723     -3.31789502      0.07604280
  H      5.45772008     -7.47155068     -2.24213335
  O      2.38172020     -9.20877950     -0.44117610
  H      4.71624844     -3.74234355     -1.90951531
  H      6.26587505     -8.57512354     -1.54188543
  O      0.38327461     -6.72097331     -1.86229305
  H      3.44755682     -4.61017871     -1.70936567
  H      0.54726245     -2.21960858     -2.38443208
  O      5.26191753     -4.47587760      1.36690482
  H     -0.57426946     -4.30010074     -3.34253419
  H      1.71499305     -2.33243136     -3.38064403
  O     -1.11944292     -3.15477418     -1.99400904
  H      0.75691668     -4.51811941     -4.10257508
  H     -0.39064225     -7.30866920      1.39986541
  O      5.72649212     -7.80583206     -1.37323431
  H      4.35248605     -6.51212101     -4.58260478
  H     -0.93752417     -6.78338763      2.74468423
  O      1.40171550     -1.83707067     -2.61537516
  H      4.51094000     -5.85259489     -3.19670260
  H     -0.70086819     -4.97495440      0.98658578
  O     -0.31724909     -6.58757781      2.04496265
  H      2.50340430     -1.48014891     -1.20433256
  H      0.04145739     -3.64338934      0.84168896
  O     -0.72478829     -4.13851754      0.51224018
  H      3.89353578     -1.72363736     -0.54791565
  H      4.66428482     -7.32423011     -0.02031576
  O      4.00154380     -7.04718468      0.63015604
  H      2.45509770     -8.73858002     -2.20439264
  H      3.41452568     -6.40310199      0.20023851
          69
 Energy    -248.05451004871838     
  O     -4.26488345     -1.92924281      1.14728450
  H     -4.18999966     -1.04212940      1.51460373
  H     -0.54386971     -2.31997820     -0.54066538
  O      0.22715918      2.10578159     -2.86069543
  H     -3.79586901     -2.51070431      1.75984839
  H     -4.01226894     -1.70911294     -2.60938175
  O      2.38553872     -1.08119880     -1.04151028
  H      0.79793268      1.37874476     -3.16921600
  H     -3.10691079     -0.48470414     -2.85709617
  O     -1.82226736      0.42237543     -1.88137969
  H      0.25299968      2.78120507     -3.53273507
  H      1.24256600     -0.77238413     -3.90365286
  O      2.55954117      0.66993312      1.14224171
  H      2.87247435     -1.91389709     -0.98745706
  H      2.12378639     -0.32548728     -2.72608114
  O      1.90943974     -4.40722947     -3.19047959
  H      2.57956810     -0.54838964     -0.26128717
  H     -1.11630241     -0.78734681      3.48560818
  O     -4.44979182     -3.00395676     -1.31981470
  H     -1.21637914      1.05042470     -2.29435117
  H     -2.20337831     -1.85096659      3.73339426
  O     -2.31826306     -4.48043255     -2.52520681
  H     -1.30693117     -0.37820114     -1.69063042
  H     -1.89316575     -3.42430661      2.22317605
  O     -0.55558575     -3.06103444      1.19253943
  H      1.99164124      1.32949910      0.70091160
  H     -2.63824016     -4.38323190      3.18402718
  O      0.20312439     -2.33808015     -3.98284605
  H      3.24911471      1.15294234      1.58875324
  H      0.86041792     -5.23362664     -0.34505523
  O     -3.74060223      0.55237388      2.49912290
  H      1.40573245     -3.69760285     -3.61162412
  H      2.14644688     -4.43738782     -0.03964434
  O     -0.29408836     -1.78313708     -1.30079921
  H      1.24875793     -4.99665550     -2.80505136
  H     -0.32832797     -6.79886570     -1.95385086
  O     -3.66397845     -1.13563858     -3.30445739
  H     -4.36682924     -2.58722777     -0.44471880
  H     -0.90450966     -5.36962955     -2.03914962
  O      1.73620292     -0.01728924     -3.55678989
  H     -5.32188782     -3.39043985     -1.34845219
  H      4.38268210     -3.97755672     -1.25803890
  O     -1.96399503     -0.93519547      3.92589770
  H     -2.99968204     -4.02681071     -2.01500025
  H      2.99387324     -3.91087216     -1.93911388
  O     -2.63972137     -3.49202897      2.84651485
  H     -2.31260687     -4.05024895     -3.38864625
  H     -0.05440761      2.09532319      0.29841793
  O      1.35182226     -4.80148097      0.36715951
  H      0.16859901     -3.67659048      1.00266698
  H      0.68772446      2.33842409     -1.02901759
  O     -0.10501201     -5.88099448     -1.82229734
  H     -0.18820991     -2.23093212      1.52929354
  H     -2.86055531     -2.19844498     -4.41113694
  O      3.49993386     -3.63395435     -1.15226087
  H     -0.04578193     -2.23720773     -3.05074299
  H     -2.82806097     -2.97337429     -5.75095431
  O      0.80844488      2.32687951     -0.07176069
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  H     -2.40392306      1.07484084      1.31531731
  O     -2.37800416     -2.87830480     -4.91660284
  H     -3.14569817      0.07140666      3.10262979
  H     -1.82689700      0.90790845     -0.12473495
  O     -1.60423007      1.15882707      0.78321571
  H     -4.32630217      1.07165394      3.04324103
  H     -0.43941122      0.01895664      1.60954031
  O      0.17731099     -0.54572832      2.10039130
  H      0.62473743     -1.50926936     -1.16310980
  H      1.05879956     -0.19800308      1.92818656
          69
 Energy    -248.05444379987671     
  O     -0.59455792      1.10248576     -2.08020077
  H     -0.16341872      1.96881796     -2.15540468
  H     -1.36115419     -0.08669969      2.88125548
  O      0.58010709      3.56096335     -1.93649761
  H     -0.03669696      0.43478061     -2.49599473
  H      0.44234661      0.31289790      2.01397770
  O      0.61855173      1.20998772      0.50570569
  H      1.54285832      3.53423854     -1.86687058
  H      0.95350123     -0.98952586      2.66153233
  O     -3.18052861      1.05017133     -1.32374127
  H      0.25395509      3.83566376     -1.06874404
  H      2.96810689     -0.74240270      1.09496661
  O     -2.72209353      2.35180363      1.12051850
  H      0.18154338      0.95052031     -0.31339843
  H      2.30095583      0.54708813      0.58261054
  O      1.14433784     -0.91113620     -2.90666049
  H      0.42179078      2.14834801      0.62094112
  H     -3.43618323      3.24296129      2.59808550
  O     -2.22703581     -1.22511139      0.18073436
  H     -2.26893795      1.08732818     -1.66679870
  H     -3.73025906      2.72590764      4.01948150
  O      3.39949431      3.31376583     -1.65136139
  H     -3.76184291      1.12399556     -2.07543518
  H     -0.35620689      4.78623335      3.83023990
  O      3.98084626      2.77501809      0.94878227
  H     -2.52851555      1.57378450      1.66406987
  H      0.44157631      3.47174959      3.70472508
  O      0.33340253     -2.12888052     -0.40983878
  H     -3.00502706      2.01165077      0.26272910
  H      0.90604558      1.12449922      3.97758081
  O     -1.87423094      5.08218958      4.81995276
  H      1.95720988     -0.43199978     -2.66290166
  H      1.93993527      2.24498780      4.30198772
  O     -2.29745390      0.08261018      2.70555201
  H      1.33091582     -1.37641829     -3.71730333
  H     -2.60252262      1.58254787      5.48600013
  O      0.45111333     -0.18769612      2.84660437
  H     -2.65871354     -0.56758305     -0.37604208
  H     -3.89553047      0.78535429      5.78505893
  O      3.16276011      0.11580065      0.70356396
  H     -2.34795993     -0.91076400      1.08567555
  H     -0.38740192      2.27243445      5.64804343
  O     -3.64937498      3.53227076      3.49531218
  H      3.61753579      3.19562991     -0.70984633
  H     -1.38696142      3.44747052      5.77333679
  O      0.37447052      4.37249231      3.35355725
  H      4.06069741      3.89884809     -2.01223451
  H      3.34833378      1.44053199     -2.08245662
  O      1.05945964      1.91766141      4.51184117
  H      3.70426609      3.11918287      1.80479743
  H      3.41021007      0.22844679     -1.14177620
  O     -3.36957973      1.14451910      5.07571430
  H      3.86042995      1.81588454      0.98678650
  H     -0.09518504      4.12951822      1.58755064
  O     -1.23671898      2.52982032      6.03101370
  H     -0.58330258     -1.86319300     -0.24248514
  H     -1.23237098      3.37861542      0.84130367
  O      3.29910384      0.47743736     -2.06961618
  H      0.57458935     -1.79742744     -1.28074142
  H      2.20861001     -3.16473797      1.88906086
  O     -0.36535502      3.79481997      0.72386132
  H     -2.55068344      4.59457258      4.31470042
  H      1.38039527     -2.26754715      0.93607426
  O      1.96767669     -2.25952533      1.71654665
  H     -2.30057718      5.85695418      5.17503289
  H      2.20748375      4.18620230      3.37935601
  O      3.07395535      3.75957559      3.47812700
  H     -2.70770903      0.33047400      3.54284845
  H      3.59855861      4.33766370      4.02810780
          69
 Energy    -248.05441497963596     
  O     -2.60559796     -1.71726101     -1.67537821
  H     -2.95761019     -1.42722955     -2.51167997
  H     -0.79480770     -6.20758028      0.98203654
  O     -3.38439716     -1.44782674      6.89872380
  H     -3.34511032     -2.11503141     -1.17899665
  H      2.42004639     -1.70038548      4.08060572
  O      1.63408956     -0.01805052      3.63891029
  H     -3.95718796     -2.20982050      7.06144594
  H      2.51047524     -3.12848404      3.49069126
  O     -3.86654146     -1.52594703      2.35372773
  H     -2.48137828     -1.78750329      6.94471407
  H      0.18064543     -3.42467759      2.39233663
  O      1.56338380     -4.05460623      6.29101476
  H      1.79515663      0.81785230      4.06934123
  H     -0.85697098     -3.02329026      1.33089536
  O     -4.67012249     -3.91081342      7.21210530
  H      0.72821890     -0.28562547      3.87354952
  H     -3.51275114     -4.66036967      2.41102323
  O     -0.84899144     -2.61726953      6.41248008
  H     -3.67656194     -2.40872255      2.70223030
  H     -2.22648298     -3.88291176      2.82615495
  O     -0.03412879     -5.86755168      4.75038888
  H     -3.90357419     -0.93971468      3.11866325
  H      2.00908587     -3.67722371      1.16530834
  O     -1.78286572     -0.37124830      0.71641643
  H      2.22757237     -4.27274744      6.93893921
  H      1.59698879     -4.96110659      1.97417367
  O      0.62317693     -6.53838982      2.21730127
  H      2.00301757     -3.52053273      5.60440053
  H      2.62112893     -2.35996829     -0.98354260
  O     -4.06385807     -5.48016554      0.84879545
  H     -4.93520269     -4.52714204      7.89036664
  H      1.64022794     -1.76251513      0.05892154
  O     -1.46980670     -5.96807023      0.33719026
  H     -3.96889148     -4.35488188      6.70974888
  H     -0.89418726     -1.66558251      3.41266706
  O      2.64653742     -2.61155205      4.29793002
  H     -0.00344394     -3.07283677      6.50473629
  H     -1.72137857     -0.58915459      4.20304407
  O     -0.71655290     -3.08864978      2.28434999
  H     -0.77581254     -2.05559349      5.62787691
  H      1.28191933     -0.20205972      1.76631809
  O     -3.12416111     -4.11840417      3.10861928
  H      0.56672646     -5.32586121      5.27605178
  H      0.03427189     -0.33026500      0.85060593
  O      1.92878576     -4.05700997      2.04970797
  H     -0.92012318     -5.66946594      5.07730117
  H      0.18547317     -3.15635918     -0.65403195
  O      1.92991357     -2.59093309     -0.37002653
  H     -2.46134967     -0.71203379      1.31169777
  H     -1.30298124     -2.84797338     -1.03131972
  O     -0.85549683     -1.00617354      4.12152240
  H     -2.04737369     -0.66249647     -0.16450022
  H     -3.50366705     -0.48630816      5.47202354
  O      0.99982139     -0.41053042      0.86934138
  H      0.98844766     -7.41938541      2.23461764
  H     -3.72015650      0.91354309      4.84809494
  O     -0.72800394     -3.44619581     -0.53787706
  H      0.35439798     -6.33104739      3.13115769
  H     -1.94993525     -4.03489405      5.97064255
  O     -3.44193009      0.02495423      4.64449715
  H     -4.60559390     -6.25270918      0.71451194
  H     -2.81746825     -4.57894202      4.79988792
  O     -2.49434005     -4.78554117      5.69069857
  H     -3.14899007     -5.73148805      0.62404704
  H     -4.43866128     -2.28881480      0.73750253
  O     -4.49227729     -2.79793888     -0.08310132
  H     -1.17851082     -5.13417046     -0.06023649
  H     -4.42004636     -3.72663724      0.16823944
          69
 Energy    -248.05431238234587     
  O     12.51674550      2.59431064    -17.73355767
  H     12.41546909      3.35197058    -18.32548318
  H     11.92320336      0.33988187    -19.68180119
  O     16.01544152      4.76261206    -18.54035772
  H     11.65506749      2.42330038    -17.33659650
  H     16.62146847      2.01652532    -19.72214215
  O     12.09335074      4.75645830    -19.40874513
  H     15.52409270      4.86554066    -19.36426840
  H     18.15061968      2.10881755    -19.51633875
  O     12.14057879     -0.05846872    -15.44862518
  H     16.60202858      4.01088084    -18.68856648
  H     15.23964973      0.05643019    -16.52073989
  O     15.17275806      1.68337971    -20.71626284
  H     11.35223397      4.25724132    -19.78322360
  H     15.18630615     -1.47967649    -16.33303104
  O     10.42694377      3.14866892    -23.08267209
  H     11.74689482      5.33675149    -18.71859298
  H      9.51242488      4.96060278    -17.73871690
  O     14.38973487      4.42908530    -20.88518534
  H     13.01437251     -0.29961414    -15.77974432
  H      9.16265567      3.92297718    -18.83979399
  O      9.91076213      2.11282115    -16.62529210
  H     11.50807411     -0.35280226    -16.11347221
  H     15.70719839      2.30328193    -16.32020610
  O     11.33643256      0.62161590    -22.72137918
  H     14.62311772      1.18082198    -20.09658332
  H     16.65609077      1.70063891    -17.37391585
  O     10.08415395      3.09727088    -20.30723425
  H     14.90893080      1.41895190    -21.60597894
  H     15.09202740      4.28166402    -17.05457912
  O     13.56672300      0.40123942    -18.90954006
  H      9.81865169      3.22506807    -23.81308668
  H     13.88687198      3.34114788    -16.77977820
  O     10.98847726      0.39777086    -19.92752435
  H     10.69902736      2.21323673    -23.03687790
  H     11.16438152      2.08214725    -13.30302348
  O     17.31368772      2.24540662    -19.07949060
  H     13.58512366      4.59382152    -20.36978504
  H     11.69832394      1.43831108    -14.60190223
  O     14.66043630     -0.72566530    -16.58445118
  H     14.62469657      3.49790812    -20.76944390
  H     11.95379863      3.99658107    -14.77624295
  O      8.90461663      4.24501899    -17.96533317
  H      9.45670288      2.88420595    -16.99371086
  H     13.18052809      4.62205494    -15.45719474
  O     16.17808886      1.49453608    -16.56160382
  H     10.19829247      2.30148105    -15.72394558
  H     14.52985999      0.85525083    -24.07392950
  O     14.60584903      3.82764974    -16.34958529
  H     11.18547577      0.40229459    -21.79200785
  H     13.84563491      2.06074617    -23.38315718
  O     11.32795247      2.25710679    -14.22624981
  H     12.29145754      0.63013372    -22.85798611
  H      9.85138293      0.46004408    -17.13839940
  O     12.27159490      4.81063028    -15.18308270
  H     10.36309430      2.18977591    -20.12600934
  H      9.19962344     -0.94278461    -17.16979039
  O     14.12429900      1.13448152    -23.25731965
  H     10.08584246      3.20097571    -21.26783913
  H     12.29603141      3.69755853    -23.25814419
  O      9.98552163     -0.46335610    -17.42053846
  H     13.95396170     -0.15037728    -18.22074234
  H     13.63136908      4.12009452    -22.58328168
  O     13.25437289      3.69217495    -23.36433318
  H     13.22686808      1.19329489    -18.45913996
  H     11.42014635      5.64483179    -16.46132298
  O     10.97860378      6.07753216    -17.21376013
  H     10.51697562     -0.00259091    -19.18757623
  H     10.91151974      7.00321664    -16.99489524
          69
 Energy    -248.05428624442146     
  O     -2.15672726      1.31475724     -0.46988497
  H     -2.05070660      0.60768774     -1.11805400
  H     -5.93507582      1.83870112      3.79907817
  O     -2.86816826      4.03289727      0.18342058
  H     -2.67460530      0.94482525      0.25897912
  H      2.25368850     -1.09493830      5.45533440
  O      3.53478325      0.73262034      2.71033954
  H     -2.01577689      4.49116806      0.14320456
  H      1.40059226     -1.02038556      4.17093687
  O     -1.04019331      2.11350061      3.05044314
  H     -2.72150018      3.16121587     -0.20208555
  H      0.05559507     -2.50661775      2.36596284
  O     -1.73080762     -0.97040523     -2.05362268
  H      3.27881678      1.66300624      2.74182879
  H      0.89734316     -1.23244735      2.12174687
  O     -3.19236636      3.86342070      2.87645740
  H      3.14730362      0.32703971      3.49494091
  H      0.02081347      5.49669965      3.55582566
  O      0.46454351     -2.05402525     -0.87840823
  H     -0.43749956      2.29082204      3.78136748
  H      1.05602651      6.56506916      3.13356565
  O     -3.64126829      0.12282265      1.64320628
  H     -1.75637507      2.76274996      3.05562685
  H     -1.37301756      4.49059438      5.28607272
  O      0.22943523      2.10643304      0.67693436
  H     -1.74557492     -1.14535576     -2.99061398
  H     -2.10758951      4.83020695      3.97577231
  O     -3.00186479     -2.21553262      0.19111937
  H     -0.89683670     -1.33829133     -1.71018060
  H      1.25673955      1.23717597      5.03071254
  O     -1.22211061      2.95068752      6.47709398
  H     -3.16079318      3.98778931      1.91438464
  H      1.47376385      2.59193653      4.30811402
  O     -5.02856731      1.81659149      3.50415059
  H     -3.92707915      3.27130110      3.07222118
  H     -2.78427541      0.44589940      5.03271020
  O      1.90794743     -0.48767441      4.80519799
  H      1.03699957     -1.45300129     -0.38283849
  H     -2.64599702      1.74806329      5.85536982
  O      0.48882706     -1.77051056      2.81673899
  H      0.12549340     -2.68739800     -0.23490304
  H     -1.54082428      0.48955113      3.42491976
  O      0.78405466      5.66458517      2.97552482
  H     -3.02366235     -0.18840502      2.32184421
  H     -1.07010607     -0.98074251      3.42825646
  O     -1.36543958      5.09734414      4.53833772
  H     -4.26269551      0.69195534      2.11018740
  H      1.21766944      0.56403613      0.69768630
  O      0.97531350      2.16181199      5.01664658
  H     -0.49558214      1.84877711      0.08938972
  H      2.50133201      0.02124409      1.37467449
  O     -3.29057951      1.13008033      5.49252037
  H     -0.18504924      2.12624478      1.55588514
  H      0.08149219      5.28909902      1.19553410
  O     -1.81486213     -0.41394819      3.65645398
  H     -2.70487572     -1.84704381     -0.65039673
  H      0.04792721      4.02148868      0.32943590
  O      1.72827213     -0.24120802      0.85562691
  H     -3.39455193     -1.47873092      0.67621200
  H     -1.68177864     -3.12682324      0.88591789
  O     -0.23152772      4.94463121      0.35130027
  H     -0.37415236      2.67324565      6.09266118
  H     -1.06465847     -4.51232522      1.18784910
  O     -0.87406164     -3.57813317      1.19093996
  H     -1.06966947      3.07757072      7.41109056
  H      1.63991456      2.87266592      1.89839610
  O      2.09582293      3.22493100      2.67166015
  H     -4.48644928      1.57146448      4.27547971
  H      1.77326594      4.13188934      2.77452440
          69
 Energy    -248.05422429515585     
  O     19.17196772      9.73991837    -14.93573779
  H     18.34283034      9.49756786    -15.36105942
  H     15.71030992      9.38299033    -13.48174741
  O     21.72990412      7.14827748    -11.99887556
  H     19.65787838      8.91212980    -14.80033453
  H     18.81410923      7.03907608    -13.30450484
  O     15.63091254      8.86438067     -9.95783256
  H     21.30429060      7.83276188    -11.46040507
  H     17.65283825      7.81651581    -12.62317381
  O     16.65274368      8.88366325    -16.12270087
  H     21.56844500      6.30582510    -11.56066168
  H     14.76509668      6.04883312    -13.74652156
  O     18.61643275      5.96714212    -10.26255150
  H     15.27193126      7.97992027    -10.11633118
  H     14.36578484      7.55208644    -13.71541536
  O     14.49605003      6.38181352    -10.67393186
  H     16.43856062      8.73690201     -9.44170170
  H     18.46624231      8.19590223     -7.95694978
  O     20.94526742      4.59861092    -10.91783293
  H     15.96000580      9.04292159    -15.46239336
  H     18.32939577      7.40527971     -9.27896298
  O     16.38688628      4.28532242    -10.35701240
  H     16.36845914      9.32945090    -16.91847024
  H     19.00957257      5.33241820    -15.98593419
  O     16.98014397      2.85496142    -12.57406797
  H     19.45035099      5.48606393    -10.33326218
  H     20.25566256      4.55037148    -16.46390741
  O     20.32132919      7.31718327    -14.29976476
  H     18.41592927      6.29810977    -11.15208922
  H     12.74344723      8.93598916    -11.63273416
  O     19.67718343      3.66122854    -13.11481377
  H     14.59909086      6.45371188    -11.63434060
  H     13.99556716      9.60426268    -11.03710414
  O     14.89674260      9.29613041    -14.00544261
  H     13.54827423      6.48932249    -10.54417257
  H     19.59022225      8.97763105    -10.04892110
  O     18.00823472      6.93156703    -12.78172157
  H     20.53760091      4.23446238    -11.72518405
  H     20.01762561      9.82214075    -11.26702476
  O     14.08704171      6.66777892    -13.44215721
  H     21.54151030      3.93332143    -10.58602330
  H     19.49125574     11.91585873    -12.64357496
  O     18.15865278      8.26584503     -8.85783758
  H     15.65933152      4.91889116    -10.36779376
  H     19.27289970     10.60580260    -13.44123953
  O     19.83760150      4.91476404    -15.68816744
  H     17.18315130      4.81007811    -10.19540528
  H     16.90683490      5.76966434    -13.55387760
  O     13.33563436      9.69174660    -11.73359823
  H     16.66418160      1.95862067    -12.50198002
  H     16.44636718      4.28818024    -13.61253525
  O     20.32257722      9.14528920    -10.65027836
  H     16.74768879      3.30475481    -11.74113094
  H     16.94984656      5.69982380    -15.61836733
  O     19.24169226     11.00098255    -12.54995204
  H     20.93131272      7.24656996    -13.54792590
  H     17.24822344      7.04383459    -16.30760119
  O     16.29170024      5.15982118    -13.99383629
  H     20.34479609      6.49511849    -14.80104381
  H     12.56658246      6.91277626    -12.44344049
  O     17.47939973      6.10847695    -16.31813478
  H     19.71343223      4.03602150    -14.00283703
  H     11.07977444      6.87633153    -12.03205369
  O     11.94173170      7.16232504    -11.74085422
  H     18.77807488      3.33901909    -12.97937285
  H     16.54953367      9.36514695    -11.42356371
  O     16.97814060      9.43124103    -12.28761714
  H     14.20099322      9.57925019    -13.39598577
  H     17.69440623     10.07642510    -12.25360681
          69
 Energy    -248.05417803349496     
  O     12.60119128      5.28951890    -15.13493059
  H     13.27005776      4.60477663    -15.25502129
  H     15.56145455      6.38332779    -15.14179536
  O     17.17942060      5.91654280    -12.52697277
  H     13.05532741      6.13049564    -15.28242923
  H     16.22840047     11.28226048    -14.25427299
  O     15.71617184     10.22936180     -8.78492401
  H     18.05945349      6.27578942    -12.36504760
  H     14.72143450     11.59019636    -14.30473189
  O     19.47332433      9.24952364    -13.75273220
  H     17.02389031      5.81964853    -13.47723316
  H     16.46564554      8.44956653    -11.07208166
  O     14.75345473      3.37690333    -15.01970811
  H     15.04701020      9.52242134     -8.82240560
  H     16.42739030      7.59509114    -12.34242650
  O     14.08629472      8.05619851     -8.86462134
  H     15.58389932     10.68825325     -7.95878103
  H     11.85802327      5.08502406    -13.57565925
  O     15.21658108      5.13165863    -10.79912964
  H     19.00286841      8.80214715    -14.47347224
  H     10.62667344      4.67984537    -12.73013616
  O     13.59448635      8.89412347    -12.87310523
  H     19.52895027      8.61266641    -13.03288226
  H     17.12720761      9.03295411     -9.18923065
  O     19.38917575      7.36395322    -11.50668464
  H     14.49709507      3.26443710    -14.08710243
  H     17.17093072      7.48568159     -9.10473100
  O     16.13949362      6.08594072     -8.43425164
  H     14.82491557      2.50241140    -15.39271562
  H     13.01624607      3.67543952    -12.44417697
  O     15.63578662      9.48033787    -16.72262747
  H     13.58387917      7.67869502     -9.59779058
  H     14.40688574      3.73614494    -11.79469891
  O     16.28293306      5.73753983    -15.10427692
  H     14.68256411      7.35806586     -8.56783252
  H     18.21370749     10.44217451    -13.22316995
  O     15.48706197     11.41562956    -14.86226437
  H     15.92944751      5.35142901    -11.41886327
  H     16.88887644      9.96045387    -12.63475553
  O     16.11606171      8.42970802    -11.97022489
  H     14.47913224      5.73739007    -10.96576169
  H     16.29628503     11.66578459    -11.66624110
  O     11.55051935      4.90660571    -12.66807125
  H     13.40413429      9.83949530    -12.87682815
  H     15.60288780     11.35894586    -10.31672285
  O     17.57098035      8.25055150     -9.54188312
  H     14.49775682      8.79256050    -12.53063557
  H     14.60381801      8.23063362    -15.85649249
  O     13.88130267      3.24667605    -12.44004767
  H     20.23458588      7.15435514    -11.11572550
  H     13.92668893      8.06889913    -14.46738070
  O     17.36109111     10.76289613    -12.89849249
  H     18.84364245      7.74082033    -10.79807410
  H     13.09675882      7.54829493    -11.78535368
  O     15.53399349     11.89435806    -11.11517928
  H     15.83085965      5.63444722     -9.23975217
  H     12.39926669      6.17512905    -11.60302530
  O     14.18903946      7.58938562    -15.26494014
  H     16.25093727      5.41505001     -7.76617333
  H     12.82583779     12.39944030    -12.72084519
  O     12.99505438      6.80298623    -11.17562033
  H     15.57371931     10.22106878    -16.09230223
  H     14.15448715     11.82543007    -12.17165155
  O     13.45388521     11.69203974    -12.83626707
  H     15.61810720      9.85954515    -17.59692923
  H     17.50608885      7.13473103    -15.61764905
  O     17.90358334      8.00917618    -15.70007272
  H     15.86819451      4.86796389    -15.16069716
  H     17.21978674      8.56094237    -16.09824561
          69
 Energy    -248.05417581796195     
  O     11.07390197     10.21290927    -12.12383386
  H     11.86948198     10.60539785    -12.49982216
  H     14.55684399      6.86916640    -17.23947109
  O     13.67206279      6.87147811    -14.48024753
  H     10.61997727      9.77692501    -12.85666889
  H     17.33679136      7.62188963    -16.50510855
  O     17.02605797     10.56990637    -10.47318139
  H     13.48186255      6.26064569    -13.75788262
  H     18.32671648      6.56647745    -17.04948730
  O     16.61592181      9.19348839    -16.71029944
  H     14.06174133      6.40035356    -15.23111113
  H     14.97326684      7.73566321    -13.65340015
  O     12.41096430      9.07501427    -15.37518984
  H     17.42731433      9.77323710    -10.10135494
  H     15.36305225      8.57006889    -12.38992953
  O     16.06164390      6.35336456     -9.85373761
  H     17.57166585     10.80789173    -11.23213436
  H     10.18137731      8.59871351     -9.52796573
  O     13.30258951      5.44820442    -12.16107121
  H     15.72786454      9.12369487    -17.08160047
  H     10.93203648      9.04551003    -10.80429801
  O     14.56059025      9.64874277    -11.15948332
  H     16.55062299      9.80765469    -15.96784437
  H     18.81549329      7.49679109    -12.77300184
  O     13.96037235      8.71242585    -17.63723046
  H     12.84564217      8.27732561    -15.02762176
  H     18.91576925      8.12713283    -11.37058975
  O     16.02824793      4.56977318    -12.11689471
  H     11.48318811      8.98711417    -15.12668772
  H     11.42002549      6.01045254    -12.41213558
  O     16.27137575     10.61842887    -14.30935073
  H     15.14858797      6.66264959     -9.79319778
  H     10.60740710      7.04292626    -11.60786702
  O     14.85511040      6.06337856    -16.79847003
  H     16.07767648      5.69744446    -10.55995150
  H     18.89139447      9.91745768    -12.70444733
  O     17.63089892      6.69735398    -16.41061202
  H     14.15950345      5.00442623    -12.16208521
  H     19.47123847     11.33569214    -12.91038969
  O     15.71038770      8.15907272    -13.19100145
  H     13.35014863      6.11499308    -11.45875592
  H     16.96128435      6.99791375    -13.41043808
  O     10.79744421      8.30039892    -10.19148220
  H     14.17039900     10.16088047    -11.87873316
  H     17.69311729      6.30871069    -14.58325425
  O     19.19976510      8.23629744    -12.28815938
  H     15.37402559     10.08756786    -10.86664589
  H     18.59074102      7.89908860     -8.83536593
  O     10.62881345      6.55919462    -12.44454461
  H     13.36061471      8.92241118    -16.90280299
  H     17.39477764      7.45428929     -9.70577083
  O     18.65268571     10.85368198    -12.82877989
  H     13.53569842      9.02391944    -18.43282506
  H     13.85385531      8.21458373    -10.46148547
  O     17.58740906      6.28405518    -13.62431542
  H     16.61434054      5.09985037    -12.68221456
  H     12.53085017      7.60351298     -9.97619066
  O     18.14257230      8.07569333     -9.65840837
  H     16.38722209      3.68556685    -12.10671048
  H     14.45967744     11.03070410    -13.80238006
  O     13.45347513      7.38627191    -10.15091345
  H     17.09454458     10.87762268    -13.87732996
  H     13.15941195     10.30295360    -14.18061333
  O     13.55794226     10.86149171    -13.49853940
  H     16.08308591      9.72650551    -13.97534796
  H     10.17857277      7.78129590    -13.63102831
  O      9.94280772      8.55560198    -14.17325690
  H     15.81321770      6.14759608    -16.71456037
  H      9.03102360      8.44377507    -14.42809344
          69
 Energy    -248.05416883493942     
  O     11.80127902     11.50105156    -14.89492359
  H     12.37731073     12.13871204    -14.45716445
  H     18.76726291      7.57199625    -12.47324922
  O     15.71102467      6.95982002    -13.95948568
  H     11.42493673     10.93197933    -14.21195990
  H     16.28163401     12.34084720    -15.61312209
  O     16.96954059     10.20397869    -11.17442984
  H     14.87604899      6.76807542    -13.50961294
  H     15.25018027     12.54481312    -16.72913797
  O     17.38762237     10.88643934    -15.20262207
  H     16.34767946      7.10389477    -13.24824359
  H     14.42576284      9.67151734    -15.27761578
  O     12.80022182      7.29154108    -16.87067667
  H     17.71658426     10.44916191    -11.73287827
  H     15.24355408      8.65316110    -14.41275613
  O     14.15806412      8.19596185     -9.02786362
  H     16.17319351     10.60024964    -11.55831919
  H     10.98225614      8.74521827    -13.57944529
  O     13.50991033      6.70047443    -12.28928418
  H     16.58972320     10.40498587    -14.93274468
  H      9.78263461      9.48770660    -12.94516563
  O     14.65410380     11.12016312    -12.34977998
  H     18.01838088     10.81636392    -14.47898415
  H     12.00412958      7.18900222    -15.14957627
  O     16.75383715      9.59395441    -17.65311071
  H     12.29094039      7.07484799    -17.64804531
  H     12.21436936      6.88485283    -13.64352130
  O     15.24021467      6.01051354    -10.13962028
  H     12.88617085      8.26186317    -16.85326123
  H     19.95297016     11.02310328    -12.85399274
  O     15.68576961      7.14813308    -16.77689992
  H     14.81335641      8.84974337     -8.74570244
  H     19.34843006      9.60989252    -13.02890066
  O     19.51438786      7.86019185    -13.02235825
  H     13.60275190      8.62600869     -9.69072601
  H     17.03537579      8.35929684    -11.38727270
  O     15.52284264     12.88297494    -15.86820086
  H     14.00743605      6.27384831    -11.58173954
  H     16.60644857      6.89795813    -11.05627551
  O     15.03403609      9.58767093    -14.53336500
  H     13.30738074      7.59174471    -11.96737492
  H     16.55030146     10.15307033     -9.40191948
  O     10.72064990      9.55521006    -13.10426742
  H     14.35782065     11.97231614    -12.68913266
  H     16.43657201     10.80886564     -8.01647282
  O     11.60127402      7.27859894    -14.27801878
  H     14.75533384     10.54712203    -13.12871827
  H     14.94056479     11.70636787    -19.18358365
  O     19.12944003     10.55659180    -12.97318452
  H     17.17534176      9.98278307    -16.87641793
  H     15.59412998     10.77174100    -18.13471439
  O     17.18420217      7.43106238    -11.61611869
  H     16.43610408      8.71741413    -17.39163899
  H     13.48044710      9.95926925    -11.58618968
  O     16.17975193     10.03625640     -8.51345611
  H     15.27975710      5.28057689     -9.52838627
  H     12.05232776      9.41069971    -11.80636166
  O     14.89691534     11.44132268    -18.26951933
  H     14.85065178      6.76424394     -9.65704002
  H     14.39713597     13.19996558    -14.58035997
  O     12.86783668      9.26304136    -11.31149254
  H     15.83001459      6.92728376    -15.84779840
  H     13.64029672     14.25094481    -13.73510589
  O     13.77204453     13.31281058    -13.84089761
  H     14.73159131      7.08037275    -16.90052327
  H     13.68363899     10.50536760    -17.26201101
  O     13.18785579      9.95985353    -16.63939298
  H     19.62258418      7.19420878    -13.69753987
  H     12.63132238     10.53852834    -16.09538067
          69
 Energy    -248.05390987166084     
  O     13.98970574      4.32048594    -14.93701330
  H     13.97278005      3.56822042    -15.52349402
  H     14.32909362     13.16143907    -10.26633105
  O     16.78486044     11.50843458    -14.15014713
  H     14.90848142      4.41753091    -14.63510365
  H     14.26055493     11.54971810    -12.24219709
  O     17.87498267      8.75893606    -10.61877106
  H     17.29670862     10.71841315    -13.91500434
  H     15.15483116     11.23277044    -13.47723295
  O     14.33806445      8.97117364     -8.07115455
  H     17.24128246     11.90946695    -14.88525627
  H     15.22051210      7.67605768     -9.08390057
  O     12.12153064      9.73685909    -14.20085829
  H     17.16333012      8.18247979    -10.30478810
  H     15.28763321      7.69708420    -10.62299186
  O     19.25467085      4.65360552    -13.87027820
  H     18.69310564      8.26266017    -10.49144740
  H     15.15091144      8.03620673    -12.82175773
  O     13.12779089      7.03915068    -14.80576070
  H     13.62890783      9.32324874     -8.63912371
  H     14.54211675      9.35295923    -12.29053479
  O     15.92592684      4.83044502    -11.13607996
  H     14.00365310      8.97994444     -7.17864173
  H     19.58691766      6.14768165    -10.58701457
  O     12.52395643     10.13235390     -9.72733458
  H     12.89612052     10.24462034    -13.91699559
  H     20.75636556      6.84353786     -9.84967934
  O     20.02093295      7.19503385    -13.33695626
  H     12.45270530      8.94183774    -14.63181300
  H     16.15262446      6.56681669    -14.24620219
  O     16.19254003     10.74064388     -9.41032914
  H     19.93510988      4.19926162    -14.35911681
  H     14.95374055      7.44675203    -14.68916237
  O     14.25863412     12.25409282    -10.54949670
  H     19.55517043      5.57372813    -13.75728887
  H     17.23216416      8.55355192    -13.82129430
  O     14.32305173     11.00503557    -13.03686039
  H     13.30164890      6.11788562    -15.03661522
  H     17.83697618      9.02167043    -12.45344302
  O     15.66221714      7.26529893     -9.83625164
  H     12.76163085      7.00686160    -13.90963283
  H     17.78529994      4.61243677    -10.95058551
  O     14.68946934      8.42548166    -12.06716734
  H     15.85018170      5.62853511    -10.59493200
  H     18.95570879      4.50188033    -11.94930188
  O     20.05844198      6.99387015    -10.48131440
  H     15.02131264      4.55171397    -11.34333888
  H      9.85855435      9.54787498    -11.95379165
  O     15.86817103      7.48218716    -14.37715695
  H     11.90912651      9.87369541    -10.42331131
  H     11.20075495      9.52338321    -12.72135700
  O     17.92527881      9.09439530    -13.41529356
  H     12.97420225     10.92933544    -10.03419918
  H     17.43063701      4.69926513    -13.96879985
  O     18.74676356      4.67581865    -11.02374797
  H     19.39099691      7.91027410    -13.49417288
  H     16.30435596      4.83466334    -12.90113252
  O     10.78229933      9.32985803    -11.86319244
  H     20.18818174      7.19919744    -12.38605563
  H     13.43198808      4.21981195    -13.02706526
  O     16.48168453      4.83342352    -13.85430452
  H     15.67902966     10.14299310     -8.85222188
  H     12.90245509      5.20769143    -11.97624701
  O     13.37970359      4.37216942    -12.07730347
  H     16.87221026     10.20101641     -9.83183072
  H     11.62503856      7.61561419    -11.92183132
  O     12.33075035      6.98074803    -12.08699569
  H     15.01476387     11.77737757    -10.16033514
  H     13.15375403      7.48158149    -11.97816222
          69
 Energy    -248.05386097378465     
  O     18.10883110      8.40287108     -8.27126348
  H     17.53041002      9.13576634     -8.52213024
  H     13.82545631     11.97482718     -9.00359748
  O     15.15244836      5.05097077    -11.05435937
  H     18.64757791      8.22622593     -9.05204868
  H     15.37248610      7.57770667    -15.59983640
  O     11.78489436      5.65420472     -9.63550326
  H     14.34160226      4.80547157    -11.51555546
  H     15.17785250      7.69581303    -14.06875626
  O     17.85128250      5.41463096    -10.24076333
  H     14.88529733      5.38618026    -10.18403654
  H     18.80199694      6.84393486    -10.67994722
  O     17.05619191      6.01193660     -7.55341805
  H     12.61146818      5.70900749     -9.14046897
  H     20.20515209      7.43121174    -10.95167896
  O     17.38042309      9.41775968    -11.95788141
  H     12.01594946      5.28067939    -10.49400462
  H     15.27107183      5.98106403     -8.12483837
  O     10.53259468     10.78641614     -9.81984669
  H     17.02444764      5.12334533    -10.64307979
  H     14.27925108      7.07424965     -8.56491671
  O     16.37843736     10.24767222     -9.45183756
  H     17.65773145      5.49280062     -9.29748141
  H     14.08540561     11.25843474    -12.80016978
  O     13.27539553      8.78988909    -11.30454013
  H     17.42225629      5.72823267     -6.72004794
  H     12.55762207     11.53165153    -12.46025513
  O     10.67440240      8.06229375    -10.39990603
  H     17.41009172      6.90341822     -7.72665293
  H     10.72547411      8.22763860    -13.47865285
  O     12.43355518      7.29924190    -13.57059344
  H     16.74971974      8.69396699    -12.09489615
  H     10.01722368      8.44116392    -12.13687473
  O     14.51081160     12.23317236     -9.63101684
  H     18.18211738      8.97976628    -11.64666681
  H     10.42836238     10.49579342    -12.88778820
  O     14.82597255      7.98189436    -14.93008676
  H     10.38041064      9.83394986     -9.89716035
  H     10.07465987     11.98230356    -13.12069237
  O     19.29749516      7.67509192    -10.78929700
  H     10.55525069     11.12629020    -10.72073976
  H     11.76112623     10.99135248     -8.60646916
  O     14.43524504      6.11857858     -8.58859233
  H     16.72291712     10.07459504    -10.33722511
  H     12.12802788     11.34176010     -7.14542784
  O     13.43975741     11.40268200    -12.09155615
  H     15.84468524     11.05538783     -9.49463378
  H     12.12252925      4.14337142    -12.76390107
  O     10.06227315      8.77615514    -13.04359706
  H     13.32117834      9.71897081    -11.57500493
  H     12.50725263      5.63791032    -12.80449154
  O     10.69388218     11.40790416    -12.67756017
  H     13.54908532      8.74752255    -10.37671478
  H     16.21827424     10.36949902    -13.24984856
  O     12.49259983     11.01730387     -7.96449579
  H     11.52827776      8.39250538    -10.71149942
  H     15.24556610      9.83068603    -14.32099409
  O     12.61643526      4.81613522    -12.30057387
  H     10.87466834      7.19465615    -10.02300894
  H     13.53442880      9.52916285     -8.32979775
  O     15.44505615     10.60234707    -13.77966460
  H     12.64027419      7.82188437    -12.78168771
  H     14.95895056      9.29605093     -8.91304742
  O     14.11812211      8.85898997     -8.70831803
  H     13.11681822      7.51721051    -14.21662836
  H     15.48917263      6.58251272    -11.91811501
  O     15.50089203      7.45412889    -12.33263360
  H     14.13368677     12.07653411    -10.50822603
  H     14.75920417      7.94806436    -11.95613322
          69
 Energy    -248.05384957037100     
  O     10.35440775     12.51871352    -10.28236021
  H     11.12090718     12.93183633     -9.87222155
  H      9.78285039     11.09319809     -9.46302441
  O     12.79821700      8.32878341    -16.33877672
  H     10.50983267     12.49837737    -11.23625871
  H     13.59248721     11.89159174    -11.67519449
  O     10.83180914      8.22912550    -10.44982515
  H     12.71033565      7.64335344    -16.99490406
  H     12.65985099     12.60226028    -12.67279785
  O     13.88026739      8.60803414    -13.74277553
  H     11.89578901      8.60551356    -16.09628000
  H     16.54843311      9.75413707     -9.61902747
  O     12.53358082     13.42844966     -8.46880913
  H     11.54602635      7.82206848     -9.94615901
  H     16.76943136     10.12005039    -11.12027229
  O     13.47133112     11.11894291    -16.31428765
  H     10.36750351      8.83766657     -9.86278428
  H     15.43401633      7.99310822    -11.09685086
  O     11.33487840      9.41722193    -12.84689286
  H     13.58668777      8.36401765    -14.62942368
  H     14.41381515      7.70695715    -12.22051532
  O     14.23199400      8.88820595     -7.48991775
  H     14.38268075      9.42956197    -13.83490648
  H     13.68077902      7.06916245    -10.03068470
  O     13.75220230     10.69674172    -10.39332599
  H     12.41941258     14.23676015     -7.97410606
  H     13.02946172      6.02591814     -9.09437884
  O     12.17098269     10.65197982     -7.95710334
  H     13.49046844     13.28182758     -8.53848962
  H     16.98488287     12.22326025    -11.96736059
  O     16.00411938     13.52215147    -11.32994640
  H     14.16072946     11.18180830    -15.64112996
  H     18.30225932     11.65039722    -12.54596623
  O      9.59185292     10.29451478     -8.93738623
  H     13.33447590     10.17431265    -16.45968782
  H     11.04958536     11.17846818    -12.89699891
  O     13.57350391     12.57501648    -12.36443765
  H     11.11012692      8.96354573    -12.02217778
  H     10.83432942     12.27738365    -13.96312076
  O     16.32465919      9.50431700    -10.52410161
  H     12.23411486      9.15469820    -13.08014584
  H     15.70602293     11.96050871     -8.30914019
  O     14.72313147      7.39357009    -11.36036126
  H     13.92106971      8.14461097     -8.02071137
  H     14.66794100     11.94239176     -9.42935106
  O     13.11528297      6.96424183     -9.24353619
  H     13.49316967      9.51363577     -7.47308413
  H     14.57643246     11.64448649    -13.52564682
  O     17.40851614     11.41585607    -12.31070090
  H     14.49147595     10.07836624    -10.45398927
  H     16.02478367     11.11880795    -13.61416320
  O     10.93079364     12.13551716    -13.01413639
  H     13.16527141     10.41687754     -9.68269242
  H     10.74449058     12.74531088    -16.53415357
  O     15.13376163     12.54104614     -8.82365162
  H     12.24588167     11.61347367     -7.99216195
  H     11.89470006     11.84928200    -16.02162499
  O     15.16337934     11.07068851    -14.04182574
  H     11.25123327     10.44396570     -8.16531230
  H     17.14309899     10.06085770     -7.11460177
  O     10.98542333     12.14394969    -15.83468240
  H     15.84136541     13.37313058    -10.38999489
  H     15.71680949      9.74746725     -7.62778281
  O     16.51566015     10.28219498     -7.79691576
  H     15.14346492     13.41666850    -11.76018264
  H     10.42656980     10.27325369    -15.68125256
  O     10.42430852      9.32922679    -15.48339161
  H      8.68134660     10.35496005     -8.66286536
  H     10.57577913      9.26668857    -14.52857762
          69
 Energy    -248.05368775566765     
  O      9.85798943      7.16344598    -10.34167272
  H      9.07090678      7.70872825    -10.23814898
  H     14.49872225      5.15876875     -5.37798415
  O     12.04710796      8.85049084    -10.27112855
  H     10.61181500      7.76983167    -10.34650396
  H      9.27734420      9.74292905    -12.75065142
  O     12.41818267      7.31465830    -13.71569314
  H     12.01977941      8.87849570     -9.30534428
  H      8.01883415     10.48825247    -13.25183886
  O      8.92948844      9.57637131     -7.56459353
  H     12.70644563      8.19734108    -10.54150278
  H     12.16959092      5.97544721     -6.16852408
  O      7.15034029      5.02626378     -8.43151943
  H     12.97308696      7.13076319    -14.46970444
  H     11.11381309      5.74451985     -7.27538943
  O     14.83888815      4.74523439     -8.50944484
  H     12.96447316      7.16877905    -12.92544679
  H     10.15269647      4.30294734     -9.02510405
  O     13.73873171      6.86974256    -11.32859625
  H      8.48421051     10.29937665     -7.12967901
  H     10.36036734      5.81359328     -9.31780574
  O     10.07046515      5.93655805    -12.84544132
  H      8.52891649      9.49347455     -8.44764202
  H      8.27086944      6.53182296    -13.06866320
  O     15.77491352      7.29835070     -9.47596288
  H      6.33289067      4.86792031     -7.96390985
  H      7.68173014      7.94532607    -12.96040749
  O     11.01226679      9.61910770    -12.75016561
  H      7.65790063      5.65172515     -7.88478537
  H      9.40321866      6.56048079     -6.54185379
  O     12.82668474      4.41240496    -10.46099220
  H     14.22391617      4.45234317     -9.19453242
  H      8.57384042      7.74631390     -7.05534390
  O     14.00625182      5.60113249     -6.06417068
  H     15.29373184      5.51324156     -8.87593967
  H     11.54090455      7.91537974     -7.13478338
  O      8.30667706      9.77698777    -12.68575011
  H     14.53160438      7.04611194    -10.80645676
  H     10.77994695      9.20228159     -7.50695111
  O     11.28802948      6.23860623     -6.45713487
  H     13.42312247      5.98870186    -11.07671797
  H      6.59430768      6.83585098    -11.31028180
  O     10.71760807      5.05862472     -8.82402267
  H      9.97162686      6.34797267    -11.97333938
  H      6.57399056      6.22536156     -9.87568533
  O      7.44539808      7.01044527    -12.92264205
  H     10.82386682      6.36900491    -13.26328065
  H     10.03113647      3.19059247    -11.27301606
  O      8.52765349      6.80131129     -6.87031015
  H     15.31189925      7.68811352     -8.71239002
  H     10.45455025      4.18413292    -12.36100167
  O     11.65522474      8.79591388     -7.52171517
  H     16.65168197      7.67247159     -9.48633087
  H      8.57926874      2.29345298     -9.31880043
  O      6.26632462      6.96657312    -10.40645756
  H     11.45974933      8.92353670    -13.24581399
  H      8.17647044      3.78166346     -9.26525981
  O     10.71952265      3.36190237    -11.92378551
  H     11.38225447      9.56580054    -11.85820931
  H      7.13585885      8.44583849    -10.06835313
  O      8.83338556      3.16200507     -9.62299463
  H     12.28812477      3.91874041    -11.09394266
  H      7.95655163      9.48599365    -10.88762157
  O      7.82086280      9.13100664    -10.00026180
  H     12.19114895      4.68521328     -9.78262470
  H     14.31995733      7.36544066     -6.74865502
  O     14.41418815      8.15916992     -7.29097448
  H     14.28762988      5.20742139     -6.90949616
  H     13.53964232      8.56619247     -7.31618276
          69
 Energy    -248.05365404481176     
  O     11.46505174      9.63431682    -14.88249441
  H     11.97356380      9.14041301    -15.54130522
  H     19.92794345      7.01215530    -13.24250800
  O     16.40079898      6.93685609    -13.18823226
  H     11.86233011     10.51068843    -14.83616485
  H     15.20208869     10.79065797    -16.80640912
  O     16.69033299     10.98740808    -11.80465519
  H     17.01650652      7.46935160    -12.66978082
  H     15.24845173     10.39856494    -15.32458135
  O     13.60019206      5.46508005    -15.95017617
  H     15.69610206      6.68313816    -12.57636100
  H     15.44597116      8.22212169    -14.04584922
  O     14.71482864      9.07621306     -8.69404169
  H     15.73867614     10.93436038    -11.97121689
  H     14.26987740      8.56107020    -15.02025803
  O     14.48032983      6.49576965    -11.23135162
  H     17.09489776     11.25943539    -12.64126610
  H     11.10849430      8.61291147    -13.52077348
  O     14.01286270     10.69797424    -12.49765258
  H     13.22916010      4.64719437    -16.27033718
  H     10.00690992      7.89168544    -12.71077412
  O     17.25213434      8.25471714    -17.12373814
  H     13.30351469      5.56404269    -15.02704026
  H     12.09643324      6.54678142    -13.23599490
  O     16.48385537      7.16000747     -9.32022614
  H     15.12343064      9.95019358     -8.77803923
  H     13.35340135      5.89405728    -12.63684119
  O     19.23577519      9.49377342    -15.46108888
  H     13.96389850      9.05055384     -9.29896573
  H     18.17780812     10.87418061    -14.72683249
  O     16.43208950      5.97550352    -15.80199665
  H     15.14873508      6.52233426    -10.53622745
  H     16.84519558     11.60403291    -14.95683250
  O     19.81886073      7.96054260    -13.27066641
  H     13.93206449      7.28354864    -11.09939810
  H     17.48515481      8.07174028    -10.62330005
  O     15.23089354     11.16678363    -15.91896272
  H     13.56226991     11.35016382    -13.04416423
  H     17.48330766      9.37613971    -11.48392085
  O     14.86669349      8.92737327    -14.35594699
  H     14.27952152      9.98997985    -13.10926421
  H     16.40925102     11.39136139    -10.05098977
  O     10.95213202      7.99489890    -12.78453136
  H     17.01804583      7.41273238    -16.70484592
  H     16.37509424     12.30543628     -8.81693633
  O     12.77130330      5.87809578    -13.40626134
  H     17.92838456      8.66394273    -16.57366996
  H     15.91860136      9.01285095    -17.83239385
  O     17.58688293     11.53471424    -14.34401527
  H     16.80213490      6.71609306     -8.53918845
  H     15.20839647      9.51506937    -19.11482006
  O     17.88229966      8.49925349    -11.39207247
  H     15.86581328      7.85230282     -9.01849794
  H     13.26560371      9.53466975    -11.35480936
  O     16.08993451     11.45367623     -9.13746820
  H     20.06540069      9.74699696    -15.86005593
  H     12.12187615      8.50651243    -11.39449993
  O     15.11381950      9.45291955    -18.16896747
  H     19.45894466      8.93695724    -14.69651566
  H     13.74189094     11.89118319    -15.19707533
  O     12.88835578      8.78134193    -10.87653170
  H     15.51126506      5.71313644    -15.91379381
  H     12.72397617     13.02402409    -14.93496286
  O     12.93903938     12.12478436    -14.70130453
  H     16.52525109      6.19670901    -14.86477710
  H     13.81232301      8.54079057    -17.16902447
  O     13.21867655      8.17724703    -16.49928669
  H     19.24808405      8.18537037    -12.51875281
  H     13.32883599      7.21752882    -16.47460504
          69
 Energy    -248.05350139259428     
  O     16.79564953      3.84930233    -15.10200167
  H     16.43880777      3.39707195    -14.32841402
  H     18.10866153      5.94186011    -12.29779720
  O     18.77723744      8.14215965    -10.50592418
  H     16.23274952      4.62192140    -15.23902288
  H     16.57371880      9.08873120    -15.85356889
  O     13.21825112     11.19528291    -11.01807985
  H     18.95585400      7.61616561    -11.29603165
  H     16.06745028     10.50997023    -16.16585430
  O     17.29210690      8.13700079    -14.37335000
  H     18.33425936      7.55086035     -9.88589867
  H     14.49462089      8.69224192    -16.54952588
  O     19.41913659      4.59238063    -14.71156595
  H     12.53473828     10.53435901    -11.17386747
  H     13.38734591      8.03355650    -17.40681515
  O     11.44420740      9.06880607    -11.90642574
  H     13.56100682     11.41634901    -11.89530421
  H     16.11001279      9.43702115    -11.92759147
  O     17.17158283      6.41101327     -8.87344360
  H     17.90173121      7.56063361    -13.89161907
  H     14.85131830      8.50343734    -12.00475877
  O     13.59316092      7.50253317    -11.09920740
  H     16.62097142      8.43813418    -13.73684356
  H     16.29278357      3.53353648    -12.05930687
  O     18.12896894     10.87572689    -13.66680654
  H     19.95970044      4.33785807    -15.45423684
  H     15.83203625      2.06065588    -12.12512526
  O     15.10276747      8.11338378     -8.85651476
  H     18.52083381      4.27987560    -14.91181625
  H     15.14133800     11.61215496     -8.54699018
  O     15.28436342      6.26293906    -15.08161227
  H     11.67435621      9.17640523    -12.84762004
  H     14.49456420     11.05114241     -9.83338630
  O     18.77511973      6.43569282    -12.79540547
  H     10.49273360      9.04672933    -11.85599268
  H     15.92785155      5.45975105    -11.66109386
  O     15.98130545      9.58691863    -16.43175590
  H     17.37512838      6.12757483     -7.98664309
  H     16.88205430      5.50983630    -10.42626745
  O     13.71708564      8.10517748    -16.51462956
  H     16.42338595      7.03300460     -8.80871047
  H     14.90301108     11.69511292    -14.18179025
  O     15.49814420      8.98850691    -12.52957354
  H     13.66447408      6.69608458    -11.62821110
  H     14.72015982     10.44210285    -13.28960550
  O     15.78072010      2.89532255    -12.58390371
  H     12.77521220      7.95542703    -11.34292261
  H     16.75624176     10.65164374    -10.30445668
  O     15.23484353     10.93436856     -9.21124578
  H     18.12726427      9.95623952    -13.95235959
  H     17.89876724      9.65481418    -10.73938948
  O     16.77088592      5.14151188    -11.31281014
  H     17.93972782     10.85489626    -12.71775196
  H     16.70354966     12.98737143    -15.60207168
  O     14.27305765     11.24065070    -13.61198414
  H     15.15391245      9.07586425     -8.87423411
  H     17.05296789     11.79295918    -14.68121985
  O     17.34250886     10.39770478    -11.02598669
  H     14.49069919      7.86257713     -9.56311040
  H     14.46852761      4.40598118    -12.68152212
  O     16.36186575     12.16702377    -15.25796286
  H     14.66694941      6.78220840    -15.61170937
  H     14.56010602      5.69546243    -13.53207251
  O     14.27837729      5.35029177    -12.67126789
  H     16.03678752      6.83966365    -14.89515879
  H     12.90331029     10.19752540    -14.27267350
  O     12.28015839      9.47571011    -14.43976653
  H     19.15290632      5.81392389    -13.43476715
  H     12.67664207      8.94383603    -15.13799168
          69
 Energy    -248.05348848230074     
  O     16.32213744      3.50442381     -9.46729557
  H     16.13785586      4.23511804     -8.86540474
  H     12.59363149      6.86965036    -15.25857945
  O     18.13805153      8.60232941    -11.97943002
  H     15.46705393      3.25379735     -9.84211214
  H     14.54426323      4.91603310    -11.28977870
  O     13.20091675      7.71688817    -12.34098950
  H     18.02976839      8.09518326    -12.79620292
  H     15.48680224      5.43413282    -12.40490020
  O     13.58535131      8.13197880    -16.32041226
  H     17.74586659      8.07673892    -11.26977872
  H     17.46572404      3.67886528    -10.82775553
  O     16.50766679     10.70021712    -12.47204811
  H     12.87721417      8.16205223    -11.55096278
  H     18.92633219      3.74143248    -11.30299703
  O     16.53299328      7.27111059    -10.05381959
  H     13.78327291      6.99658838    -12.04806263
  H     12.06686037      9.63598832     -9.56218528
  O     11.16286663      4.34124636    -12.86440171
  H     14.10949344      8.51172683    -15.59565360
  H     13.53781803      9.29978733     -9.91752600
  O     15.10748290      5.87920243    -17.22641646
  H     13.29486333      8.86288418    -16.86041022
  H     12.46897281      5.77493470     -9.20710448
  O     15.58597362      5.77735946     -7.86491833
  H     17.16970204     10.00888802    -12.28313484
  H     12.88601421      7.25374852     -9.06753704
  O     17.65676806      6.88166893    -17.03299781
  H     16.98802967     11.51461842    -12.59205301
  H     15.44667185      9.68034403    -13.61666148
  O     17.31801168      7.39366693    -14.37115630
  H     16.00443226      6.72995465    -10.65797190
  H     14.35657348      8.59280544    -13.43222095
  O     12.38492557      6.28408641    -14.52216169
  H     16.41909164      6.85465730     -9.19187352
  H     15.56430282     10.19585356    -10.87297688
  O     14.89651894      5.71750512    -11.69359476
  H     11.41479050      5.02126614    -13.50179840
  H     15.68899320      8.91463456    -10.02600089
  O     18.02625610      3.79319538    -11.61309622
  H     11.70415871      3.57109381    -13.07831879
  H     10.60019186      4.20080575     -9.77368824
  O     12.63230779      8.93819668     -9.88043433
  H     14.83476756      5.18232786    -16.61841257
  H     11.25539297      4.55587755    -11.12615540
  O     13.07059650      6.36553588     -8.73863557
  H     14.55994388      6.64574373    -17.01448034
  H     16.95289695      5.68956858    -13.93784748
  O     14.96738629      8.97967631    -14.07672876
  H     14.67417680      5.97058741     -8.14815199
  H     17.16689908      4.42644158    -13.02047374
  O     15.18117456      9.73328041    -10.11976354
  H     15.59274606      5.82981206     -6.91302308
  H     12.99706895      3.58244301    -10.44603896
  O     11.40259078      4.53850058    -10.16398826
  H     16.78420826      6.47861370    -17.18006193
  H     13.67030344      2.84882786    -11.63455478
  O     16.57922630      4.83760862    -13.67238059
  H     18.23510392      6.50884618    -17.69264483
  H     13.59117282      2.92561883    -14.01359751
  O     13.84424780      3.25875745    -10.77732454
  H     16.49947893      7.90466448    -14.33093411
  H     13.14175211      1.46844044    -13.76288478
  O     13.15486766      2.33849211    -13.37268018
  H     17.54443788      7.28517094    -15.30688366
  H     15.12049930      4.41133027    -14.57697968
  O     14.27022295      4.22600696    -15.00723226
  H     12.57116321      6.79865131    -13.72123601
  H     13.66042579      4.94847931    -14.79985393
          69
 Energy    -248.05347122838407     
  O     12.55083289     12.43815962    -13.48529782
  H     13.33253484     12.30536442    -14.04480750
  H     16.47841943      5.82719626    -13.32821252
  O     19.11133461      9.65027080    -12.24486459
  H     12.36938256     13.37524452    -13.48772180
  H     13.39448172      9.83042125    -17.28815106
  O     15.68127209     10.40635399    -11.48929590
  H     19.00540903      9.59543995    -13.20608797
  H     12.33600984     10.59011726    -16.45196086
  O     11.11057331     10.48288388    -15.09421134
  H     18.77237275     10.51558142    -11.99268670
  H     16.70322074      9.40761578    -14.34865577
  O     14.02703378      7.53004456    -14.79901371
  H     15.73404924     10.07146571    -12.40006182
  H     15.25012436      8.81142970    -14.36780574
  O     14.75031113      6.03852599    -12.57338740
  H     16.37432925     11.07040317    -11.40802705
  H     12.90701687      8.88765770    -10.31127258
  O     18.50131288      7.20659460    -11.28118554
  H     11.20823608      9.69847353    -14.53899159
  H     14.03563140      7.88857348     -9.97749321
  O     14.73297767     11.84302421    -15.14383069
  H     11.40606186     11.21789450    -14.54426057
  H     18.19485304     10.07229529    -15.58487709
  O     18.17586098      6.88045991    -16.06555177
  H     14.35920967      6.89938446    -14.14691954
  H     18.50909643      8.56140549    -15.35866728
  O     15.82425598      7.77437158    -10.63589016
  H     13.23309963      7.91661643    -14.40071216
  H     16.26771499     12.77143528    -14.51804557
  O     17.28282668     11.17189769    -16.72383707
  H     13.84313399      5.86690009    -12.29418559
  H     17.65999958     12.55296230    -15.08919157
  O     17.37647182      6.01550561    -13.62572865
  H     15.11559771      6.65165254    -11.91786739
  H     18.19964542     12.93805469    -11.29320532
  O     13.13592682     10.70800917    -16.98673588
  H     19.23835326      6.87089872    -10.77814255
  H     17.65168528     12.48549733    -12.66521916
  O     15.79448344      9.54340033    -14.05384707
  H     18.75221263      8.09687647    -11.58838672
  H     13.88594487     10.45133768    -11.46157590
  O     13.07761121      8.01275777     -9.94040593
  H     15.10474321     11.04593514    -14.73558701
  H     12.67346396     11.15387921    -12.09680292
  O     18.47199159      9.42280012    -14.92332032
  H     14.16765548     11.53997305    -15.87371724
  H     17.17849346      7.99943839    -17.27959104
  O     17.20417273     12.91319688    -14.32260404
  H     18.80496451      6.25263911    -16.41201924
  H     15.79794098      8.45745455    -17.78808965
  O     17.83894569     12.18760114    -11.75815465
  H     17.85816039      6.51701329    -15.21996626
  H     12.25438416      9.09357945    -12.68733615
  O     12.92490135     10.38765164    -11.56668038
  H     16.74771209      7.50219820    -10.70530288
  H     11.78193280      7.62176832    -12.79929044
  O     16.73302396      8.69668096    -17.77547947
  H     15.81305990      8.71785937    -10.85343049
  H     12.36275224      6.76558882    -10.93107029
  O     11.89625379      8.43668368    -13.30249642
  H     17.11386869     10.36080367    -17.23264417
  H     11.43342707      5.55899581    -11.21339420
  O     12.06279017      6.14662849    -11.62225993
  H     16.41290985     11.49473167    -16.47336421
  H     14.00014323      7.76049239    -16.56108664
  O     13.99716472      8.01009249    -17.50042203
  H     17.83526932      6.37633595    -12.85673356
  H     13.47299791      7.35703681    -17.95779411
          69
 Energy    -248.05343334344457     
  O     15.69802534      9.23409803    -16.81050038
  H     14.87507837      8.84182486    -16.50110180
  H     16.63855791      2.64247136    -15.63133403
  O     13.63501530      3.20623804    -16.38418874
  H     16.15936346      9.56742479    -16.02994700
  H     20.90429061      3.70718862    -13.80359354
  O     16.79353805      6.26382414    -11.26043337
  H     14.54492299      2.85739478    -16.41714266
  H     20.12228556      4.28824561    -15.00393954
  O     19.99589923      4.56365134    -16.70055127
  H     13.06620106      2.52969037    -16.74112189
  H     18.20936734      6.65950094    -16.37900676
  O     17.98965754      3.46816847    -18.42611974
  H     16.76493781      5.30818225    -11.40316620
  H     18.55472349      7.59250601    -17.55938332
  O     14.08388990      6.59667260    -10.57143543
  H     16.62520161      6.70266160    -12.10973350
  H     16.05913791      5.73132416    -16.16192468
  O     13.06054550      4.22689041    -13.77422304
  H     19.36919946      4.10512567    -17.27278871
  H     16.98196112      4.98579451    -15.13739157
  O     16.15689862      7.57384289    -13.60451873
  H     19.80917398      5.50580881    -16.81943096
  H     12.38516406      8.29174959    -16.15216360
  O     17.39613519      3.47549836    -14.18927192
  H     18.22499173      2.99999205    -19.22342088
  H     13.22316629      7.64554902    -15.02778149
  O     13.91216315      3.79067699    -11.21346789
  H     17.49857652      4.26092365    -18.70658426
  H     15.58560936      3.48396492    -11.41983728
  O     19.40608459      8.65817120    -14.51671014
  H     15.04411612      6.54395628    -10.70680788
  H     16.88573876      2.83979217    -10.88179141
  O     16.20654446      2.42263472    -16.46830246
  H     13.95277292      7.06601646     -9.75113635
  H     14.09956737      4.86623071    -16.96043151
  O     20.08715223      4.13705776    -14.04131391
  H     13.20468202      5.18024941    -13.80114042
  H     13.99282132      6.42406566    -16.84105717
  O     18.94323425      7.12513922    -16.81145030
  H     13.25660442      3.88207023    -14.65204123
  H     19.63210003      5.74392306    -13.05944157
  O     16.81853369      5.83181159    -15.57422096
  H     16.46848324      8.46380284    -13.80388626
  H     18.69627692      6.43701939    -12.03763691
  O     13.23514883      7.89993205    -15.96509582
  H     16.45439156      6.99100750    -14.31958504
  H     16.84932615      6.55860578    -19.13411374
  O     16.55179631      3.44410141    -11.53946472
  H     17.04232446      3.41018162    -13.29361037
  H     15.73730575      5.65624649    -18.57749572
  O     14.52588374      5.70212695    -17.19353846
  H     18.35085580      3.60515164    -14.10825718
  H     14.45813510      7.25119642    -13.49101331
  O     19.42798186      6.58995734    -12.64277983
  H     13.81554132      4.68295399    -10.86218998
  H     13.41582337      6.94484223    -12.41728103
  O     16.52968201      5.64872606    -19.13210107
  H     13.54272037      3.81845710    -12.11079468
  H     18.00264493      9.61062374    -14.50108769
  O     13.51630494      7.04464134    -13.36950687
  H     19.39809967      8.16982330    -15.35075661
  H     17.24079651     10.89514448    -14.08818945
  O     17.12368936     10.03581088    -14.48225606
  H     19.47159435      7.99458769    -13.81487350
  H     16.72572757      8.68650264    -18.11143857
  O     17.34864621      8.35764154    -18.78426584
  H     16.80885498      2.71415992    -17.16353862
  H     17.47744698      9.06665784    -19.40826159
          69
 Energy    -248.05338537784425     
  O     12.81258803     13.05831239    -14.86309612
  H     12.13648583     13.72853050    -14.80287722
  H     17.67362990     10.61056515    -14.27621999
  O     18.06816614      6.53234964    -14.17865672
  H     13.05347161     12.82090389    -13.95152146
  H     16.42049139      8.87519175    -19.80408343
  O     18.49404895     11.01466374    -12.70913042
  H     17.24400080      6.13162961    -13.87856879
  H     15.36162555      8.77858709    -18.67853153
  O     17.29326677     13.64425807    -13.32989940
  H     17.86530059      6.94087555    -15.03131015
  H     14.13868329      9.54806482    -13.68001388
  O     15.43971924      5.88470829    -13.15300668
  H     18.79473762     10.10718390    -12.58108839
  H     15.28438076      9.33739021    -12.64315140
  O     15.07164901      9.51888496     -9.43781809
  H     17.95679679     11.20786679    -11.92354108
  H     14.14861694     10.98572127    -16.77342258
  O     13.71064885     12.31826924    -12.38473073
  H     16.77737807     13.61687699    -14.14996453
  H     12.95303362     11.58920946    -16.01606336
  O     13.77651705      8.39561237    -18.00801586
  H     17.83531213     12.85030397    -13.29421694
  H     18.65107596      7.62544631    -12.93892178
  O     16.06694294      8.05520486    -11.57168203
  H     15.12389621      5.15771890    -12.62200535
  H     19.57729556      7.85986586    -11.72339136
  O     17.09902663      7.98574894    -16.36920663
  H     15.58480586      6.63023381    -12.54638904
  H     11.80592338      8.70680301    -13.11395120
  O     14.59380128      6.96770616    -15.62081855
  H     14.21443567      9.82503019     -9.78707167
  H     10.48386197      8.43395621    -12.38331308
  O     17.01628411     10.31579406    -14.91768072
  H     14.96009253      9.40144947     -8.49858712
  H     16.27903429     13.90236067    -11.98269632
  O     16.27895829      9.04015667    -18.87599766
  H     14.21678476     11.53509686    -12.65305039
  H     15.75523275     14.78450936    -10.82125887
  O     14.88927110      9.97679904    -13.24854436
  H     14.32720946     12.92653425    -11.95665288
  H     16.28755905     10.86400318    -10.07783782
  O     13.23625393     10.80534934    -16.50392318
  H     13.39743918      9.18902679    -17.60912352
  H     16.45836843     12.31330926    -10.58832839
  O     18.83127479      8.22459776    -12.19297409
  H     13.88589485      7.76156105    -17.28870853
  H     16.11870954     10.69403205    -17.90290405
  O     11.38879159      8.69996733    -12.23858462
  H     17.01952381      8.19498490    -11.65595474
  H     16.37251687     11.04125950    -16.41624332
  O     15.66972562     13.92355988    -11.21987354
  H     15.76570458      8.46945942    -10.75164474
  H     12.94323098     11.16182020    -11.07583162
  O     16.91232917     11.46657571    -10.49512208
  H     16.98741330      8.25840287    -17.28693221
  H     12.24309473      9.78668798    -11.04183156
  O     15.90053016     11.33056965    -17.21347954
  H     17.14542848      8.79909935    -15.84241229
  H     14.66211933     13.52829496    -15.33715286
  O     12.76717547     10.40109959    -10.50871533
  H     15.44949055      7.31786129    -15.90851569
  H     15.75027867     12.98396261    -16.27207167
  O     15.60040808     13.59950951    -15.54400067
  H     14.77938015      6.46956807    -14.81500777
  H     12.83161759      9.52490323    -15.28841597
  O     12.79009886      8.81374154    -14.63323604
  H     16.19726957     10.23302642    -14.40673040
  H     13.34465441      8.09451786    -14.96746189
          69
 Energy    -248.05317559110628     
  O     10.34021678     10.18696394    -12.79265052
  H     10.13684822      9.78693564    -13.64710182
  H     17.85613823      6.64623693    -15.99377174
  O     14.29468473      7.25270766    -15.36176616
  H     11.18758889     10.63957817    -12.90041104
  H     15.80923624     12.35186832    -13.76053358
  O     17.11191584     10.32875848    -10.43002577
  H     13.95644585      6.70720421    -14.63756585
  H     15.17181855     13.65944403    -14.28216795
  O     18.41992196      9.66431446    -14.75436833
  H     13.69348481      8.00330640    -15.47411337
  H     16.77822509      8.93425531    -13.99675121
  O     12.68372887      9.47476070    -15.48508131
  H     17.28822929      9.36986606    -10.42027885
  H     15.46574730      8.13698059    -14.28655214
  O     15.24559856      6.06481510     -9.78743804
  H     17.44595604     10.67406861     -9.60661170
  H      9.63953984      8.13420142    -10.46443214
  O     13.40732563      5.87755755    -13.12723690
  H     19.32800343      9.93139900    -14.87522324
  H     10.32038619      8.88465821    -11.63543806
  O     14.62415743      9.67299786    -11.54283440
  H     17.98452797      9.71894804    -15.62767734
  H     16.81897114      6.96319504    -12.97007890
  O     17.07253324      9.59191889    -17.03007530
  H     12.78344594     10.00798972    -14.68323573
  H     17.91572543      6.16840667    -13.68155020
  O     15.53183085      4.32504628    -12.11337664
  H     11.75726531      9.20746310    -15.52618339
  H     11.54823732      6.16758541    -13.46374244
  O     16.33016724      6.82421741    -17.13627909
  H     15.31806879      5.35282265    -10.43319357
  H     10.48954283      6.92939929    -12.64004972
  O     18.54967222      6.71039129    -15.32368886
  H     14.42958359      6.53023997    -10.01497825
  H     17.70314671     11.02829418    -13.56648969
  O     15.03752581     12.71666214    -14.22746544
  H     14.04692831      5.20796205    -12.85629858
  H     17.22269633     11.21527081    -12.11230721
  O     16.01655316      8.51174485    -13.58606358
  H     13.30053133      6.46399605    -12.36287158
  H     17.72934650      7.13429157    -11.17692048
  O     10.35367056      8.07624778    -11.09309973
  H     15.09278432      9.25340889    -12.28306845
  H     16.70120347      7.14779505    -10.04677380
  O     17.38513981      6.18338266    -12.87425266
  H     15.32020461     10.01424681    -10.97104078
  H     14.00450251     10.51315025    -16.34709868
  O     10.66454198      6.55262798    -13.51189532
  H     16.26064465     10.11769219    -16.95487530
  H     14.88945580     11.66251284    -15.82946382
  O     17.21642456     11.62437566    -12.98717850
  H     16.80965290      8.68800848    -17.23576605
  H     13.57372809      8.31027931    -11.04249333
  O     17.45163073      7.64321772    -10.40823338
  H     16.25474056      4.91284170    -12.39464468
  H     12.14455409      7.71313161    -10.83713250
  O     14.79382006     11.03002842    -16.55143233
  H     15.88081289      3.43768352    -12.11765999
  H     13.48496222     10.62511836    -12.55153504
  O     13.08162233      7.49067122    -10.88971901
  H     15.56026014      6.90685949    -16.54821809
  H     13.56335069     11.77706796    -13.57042970
  O     12.97236402     11.09728226    -13.22365548
  H     16.06000911      6.27433539    -17.86730935
  H     10.24912293      7.81157344    -14.64689317
  O     10.05525476      8.60248727    -15.18223028
  H     18.65730227      7.65308777    -15.16271474
  H      9.30125053      8.39190736    -15.72569943
          69
 Energy    -248.05314925508046     
  O     16.53070830     12.27133670    -15.40588456
  H     16.50803869     13.21502954    -15.54324024
  H     19.16953343      9.85279856    -15.96950033
  O     14.38636222      6.39521805    -14.42764208
  H     15.81927548     12.06816765    -14.77037979
  H     15.97321044      9.02638773    -15.78637393
  O     18.41670586      7.28072346    -11.67257150
  H     15.17844971      5.93346454    -14.12053189
  H     15.46658138      7.84262556    -14.90327976
  O     20.61174323      7.06318547    -15.66462897
  H     14.21525358      6.15962105    -15.34838335
  H     13.71986764     11.16296745    -14.02258899
  O     13.15142275      8.94016626    -16.68488322
  H     18.13322138      7.15199352    -10.76135843
  H     14.65399822     11.32370089    -12.82239435
  O     15.94339285      9.56217111     -8.89269540
  H     17.92254456      8.05341077    -11.99628455
  H     15.54602047      5.89682461    -11.80072087
  O     13.38089078      8.09646833    -12.51401122
  H     20.61302330      7.52104403    -14.80407386
  H     14.41002944      6.86465498    -11.39934129
  O     17.09012309      9.39728065    -12.70836615
  H     21.46678835      6.65439891    -15.76275466
  H     12.53398422      9.56512441    -15.19130941
  O     16.46962605      6.56681182    -18.10499141
  H     13.33913006      8.02194804    -16.90822781
  H     11.37021393     10.26550014    -14.45224459
  O     17.91463189      6.27236752    -15.72170758
  H     13.92916953      9.45156239    -16.94960849
  H     19.81800149      8.04402891    -12.70944423
  O     13.95226157      6.21509191    -17.18605200
  H     16.44476097     10.04345554     -8.23845294
  H     20.00820242      9.31904617    -13.57792032
  O     19.35146492      9.35607735    -16.77792870
  H     16.33967495      8.67972404     -8.93789399
  H     17.40137857      6.06874156    -12.69284576
  O     16.22345508      8.41379115    -15.08543427
  H     12.87665333      8.74508730    -13.02241593
  H     17.23941306      5.57763728    -14.13171930
  O     14.50230322     11.64040500    -13.72269541
  H     13.66512902      7.44431830    -13.17244755
  H     16.23446098      6.68613738     -9.82326310
  O     15.08022268      6.27032451    -11.04242135
  H     16.73870462      9.05853443    -13.54713023
  H     17.04310574      6.26039499     -8.57559311
  O     12.26447853      9.95386044    -14.33989868
  H     16.34695005      9.73457074    -12.19490110
  H     17.95127337      9.40839959    -19.57933103
  O     20.38941231      8.45919443    -13.36952813
  H     17.03855863      6.31482682    -17.36432815
  H     18.23726283      9.22837513    -18.06735374
  O     16.81362850      5.55345652    -13.26337113
  H     16.81288111      7.40863651    -18.42604679
  H     14.30814544      9.44130626    -11.62971095
  O     16.95408214      6.95563538     -9.22229885
  H     18.86184360      6.45711040    -15.72671825
  H     15.12831793     10.03575741    -10.43523811
  O     17.54948975      9.14948293    -18.75469046
  H     17.45982616      7.10637677    -15.52402150
  H     18.16306851     11.40156311    -14.77606298
  O     14.83403079     10.20081396    -11.34152808
  H     14.83951007      6.33216285    -17.57032965
  H     18.22901996     10.32791433    -13.70089904
  O     18.76556059     10.75743144    -14.38488533
  H     13.49260052      5.59102076    -17.74124365
  H     16.22997051      9.95618601    -17.76987746
  O     15.57887669     10.24096054    -17.11486787
  H     19.87148562      8.58898439    -16.51196468
  H     15.93583298     11.00578402    -16.64500620
          69
 Energy    -248.05311626285524     
  O     15.65002615      6.70150465    -13.27178229
  H     15.46186068      7.53088814    -13.73912810
  H     17.38140009     10.47140651    -16.58813562
  O     17.90286095     10.42035375    -12.04199901
  H     15.09984411      6.71660022    -12.47714904
  H     15.19322745      9.82839911    -14.03356728
  O     11.85560817      6.04647641    -14.98105250
  H     17.94675317     10.54283870    -11.08557954
  H     14.16668220      8.98160445    -14.85466130
  O     15.17783933      9.84672861     -8.88601955
  H     17.95179673      9.46717288    -12.20302216
  H     11.72088341      9.45230625    -13.84224277
  O     14.04338743      7.15983102    -11.05974033
  H     11.10690149      5.51356951    -15.23505999
  H     10.63739694     10.23345850    -13.06655718
  O     15.42575342     11.22068038    -12.93433689
  H     11.76263375      6.22586785    -14.02777967
  H     18.16429672      7.53471490    -10.65415548
  O     15.31808838      6.88718702    -17.90419469
  H     15.19130656      8.89838764     -8.70646412
  H     18.10284830      8.55773601     -9.49907894
  O     15.55935360      6.99751660     -8.72400075
  H     14.56906920      9.97223638     -9.62556621
  H     12.42376975      6.79658565    -11.86651859
  O     17.04630994      8.57145555    -16.45575364
  H     14.50098715      6.98578406    -10.22830441
  H     11.38681756      7.76312430    -12.46740086
  O     14.57956199      5.62143808    -15.63956851
  H     13.96504852      8.12216494    -11.14035228
  H     19.59776515      9.96007931    -14.58793694
  O     19.35746180      8.06099654    -15.03569744
  H     16.32560516     11.03675462    -12.62819232
  H     18.98903224     10.88063812    -13.52302887
  O     17.54770791     11.39035165    -16.35271417
  H     15.46849099     11.89776858    -13.62497719
  H     17.30648424      7.23428831    -12.76489011
  O     15.09105257      9.04268378    -14.58659534
  H     15.06372923      6.39305374    -17.10287066
  H     18.66977565      7.70718526    -13.33066319
  O     11.38394599      9.65037249    -12.95233078
  H     15.42536282      6.24595929    -18.60119464
  H     18.11778436     11.02591345     -8.55870935
  O     18.00807583      7.61930067     -9.70428122
  H     15.63385995      6.40426664     -7.98187249
  H     16.84863675     10.31793249     -9.09274048
  O     11.62489692      6.82999151    -12.41092673
  H     16.46139752      7.13939756     -9.06421983
  H     14.16338710      9.91005598    -17.98371372
  O     19.43901436     10.88793096    -14.37818280
  H     16.60595785      7.97551633    -17.07144870
  H     14.18403504      8.37588152    -17.91421775
  O     18.13935112      7.66558050    -12.52560562
  H     16.38163579      8.78856627    -15.78269402
  H     12.82523807      9.91702049    -11.75495163
  O     17.80099035     10.45047506     -9.24927507
  H     13.63733920      5.65954430    -15.43363838
  H     14.27686849     10.44726496    -11.82147447
  O     13.61143288      9.14951143    -17.80770353
  H     15.03683044      5.82932046    -14.81416076
  H     16.31324303     12.38704036    -15.59729300
  O     13.66481795      9.92491396    -11.28097515
  H     18.56788779      8.20336348    -15.58469869
  H     15.78300942     13.80248506    -15.31112500
  O     15.64939278     12.88505791    -15.08893045
  H     19.98898463      7.59350508    -15.57650596
  H     12.68725390      8.98130556    -16.27579035
  O     12.39417589      8.78936497    -15.37312423
  H     18.26334786     11.35507140    -15.69948717
  H     12.18631956      7.84618348    -15.33254748
          69
 Energy    -248.05293867461592     
  O     11.51349833      9.31329482    -10.72700055
  H     11.62210874      8.57963295    -11.34258545
  H     14.06906203     10.99246782    -10.28451624
  O     15.21333755      9.97745895    -13.28799475
  H     11.39084476     10.09601285    -11.28261365
  H     10.14494095     12.26401842    -15.14569139
  O     17.79707007     12.99067161    -13.81084353
  H     14.89547489     10.72970182    -12.77551079
  H     10.68951735     10.86595824    -15.52221810
  O     16.91464184      6.89058498    -14.04830736
  H     16.11975854     10.16263879    -13.56164007
  H     15.98937985     13.57193780    -14.04260363
  O     11.64641055     11.42370713    -12.56845579
  H     17.82346683     12.08341072    -14.15787645
  H     14.86072502     13.07786304    -14.97144933
  O     12.45988815     14.65335460    -14.80924710
  H     18.58060088     13.43038479    -14.13164997
  H     18.28731002      9.72703338    -13.99048735
  O     14.51864124     12.21117936    -16.45016619
  H     17.66813172      7.29337428    -13.59732430
  H     17.43848780      9.80169943    -15.28402252
  O     15.60027171      8.11770182     -9.60799031
  H     16.17951273      6.92248108    -13.42336890
  H     17.36474890     12.49635191    -12.00064345
  O     14.19941530     12.20016683    -11.91266643
  H     11.69905604     10.80695087    -13.31222002
  H     16.04900596     12.24453990    -11.25057396
  O     14.21073104      9.49194468    -15.78961723
  H     11.09677251     12.16533268    -12.85036375
  H     11.72445008      8.74152729    -14.06116301
  O     19.00840096      8.44869160    -12.89535839
  H     12.38374350     14.32441917    -15.71449262
  H     12.50631522      9.48073820    -15.16986688
  O     13.93042459     10.21237373     -9.74138698
  H     13.35783914     14.44635375    -14.52285570
  H     16.76571454      7.74158068    -15.56542064
  O     10.34859071     11.68922435    -15.89437775
  H     13.71273864     12.54694244    -16.86291473
  H     17.11442703      7.87924293    -17.06809605
  O     15.03239944     13.57365013    -14.15301861
  H     14.39058862     11.26161052    -16.33566507
  H     11.67009187     13.53683618    -18.13040881
  O     17.74980259     10.32193019    -14.53310338
  H     15.57489588      7.73878863     -8.73385483
  H     11.42073801     12.67087284    -16.87295992
  O     16.99964617     12.09466285    -11.20286676
  H     15.00722489      8.89242991     -9.59578600
  H     13.05564461      7.33763902    -12.60917145
  O     11.70493539      9.52236827    -14.62840728
  H     13.27121700     11.96764718    -12.06585217
  H     11.79650370      6.47315919    -12.83751652
  O     16.72203663      8.34146482    -16.33255697
  H     14.45879022     12.77173025    -12.65184749
  H     17.11166984      9.01058547    -10.30198392
  O     12.05275748     13.27843206    -17.29663015
  H     14.95618817      9.01695627    -16.17399053
  H     17.55543638     10.40444491    -10.82647585
  O     12.10434273      7.37572884    -12.80279580
  H     14.48229128      9.68898861    -14.87819394
  H      9.63738138     14.20699229    -13.40079938
  O     17.82350853      9.47708556    -10.75392651
  H     19.90614724      8.20613830    -12.68848173
  H     11.03520186     14.01268266    -14.04051883
  O     10.25390845     13.54295637    -13.69569030
  H     18.61214604      8.79695217    -12.07364472
  H     14.94658124      8.37544811    -12.58657856
  O     14.80493583      7.48477358    -12.22694710
  H     13.05421232      9.87122031     -9.97990971
  H     15.06905412      7.53215958    -11.29947256
          69
 Energy    -248.05291426285871     
  O     -6.42541378     -2.79713918      6.41096043
  H     -7.00484418     -2.06010441      6.65350150
  H     -7.21263210     -0.51923749      4.89409196
  O    -10.10539604     -2.08054136      3.71338279
  H     -5.53357142     -2.44035577      6.33002783
  H     -3.68432816     -1.68182980      5.03638387
  O     -7.94053003     -3.85580184      4.45139607
  H    -10.20600371     -1.32760320      4.30237057
  H     -2.99173792     -2.07598832      6.36253542
  O     -6.41837737      0.44565436      0.37653753
  H     -9.40315004     -2.63622161      4.07373731
  H     -3.09372823      3.53307305      0.75138918
  O     -4.86031013      0.90156673      5.74768394
  H     -7.38765604     -3.54949481      5.19315144
  H     -2.03187092      3.03888049     -0.26116267
  O     -6.48884865      4.99221103      0.88026331
  H     -8.18196530     -4.75829410      4.64302730
  H     -9.09377479      4.06603871      5.79309997
  O     -8.10494259     -0.59080672      6.53738071
  H     -6.65576509     -0.45602264      0.12884921
  H     -8.18436214      3.44949501      4.70980279
  O     -3.68210745     -1.62790219      3.29308248
  H     -7.08819550      0.73966202      1.00770864
  H     -9.64481410      1.57812400      5.18315530
  O     -5.62144254      2.93876401     -0.67331750
  H     -4.34959671      0.13117438      6.02173977
  H     -9.56845707      0.77863816      3.89608479
  O     -7.37585337     -2.18869244      0.09106703
  H     -5.48230242      0.55815229      5.08636326
  H     -6.58414635     -2.56608167      1.73811876
  O     -3.97163946      0.73535896      1.70532851
  H     -6.83602693      5.69527042      0.33791532
  H     -6.80800173     -3.17673188      3.15668429
  O     -6.74717908     -0.29007374      4.07810923
  H     -6.23614173      4.27067326      0.27609776
  H     -9.85281316     -1.54441995      2.00973116
  O     -3.78221042     -1.67942094      6.00614170
  H     -8.86667096     -0.24765129      6.05451951
  H     -9.29817144     -0.22395279      1.45434866
  O     -2.87086429      2.81510097      0.13197879
  H     -7.71600038      0.17435400      6.98906894
  H     -6.15880069      1.60801196      6.90335105
  O     -8.69178524      3.24676394      5.51193818
  H     -3.65311617     -0.82016081      2.76552031
  H     -7.50197542      2.36839356      6.78637630
  O     -9.88570407      0.72191686      4.80492080
  H     -4.45897917     -2.11588869      2.98738915
  H     -3.98781830      4.07765353      2.65804223
  O     -6.21156900     -2.63199030      2.62586386
  H     -4.66296781      2.88674632     -0.57111890
  H     -4.65272521      4.96641833      1.59460132
  O     -9.57268097     -1.10939807      1.18999780
  H     -5.95469299      2.05673699     -0.46355045
  H     -4.42159659      1.95996143      2.98380017
  O     -6.99504673      1.78016616      7.35859867
  H     -8.23387250     -1.86665312      0.42629760
  H     -4.56452257      2.19473032      4.50219494
  O     -3.79406473      4.66199713      1.91104719
  H     -7.55922397     -2.74318809     -0.66188847
  H     -8.04067261      2.06877170      2.55669913
  O     -4.64394375      2.63158971      3.64472302
  H     -3.45642167      1.32419625      1.13935955
  H     -7.73823497      0.61168275      2.98313257
  O     -8.28287174      1.15052597      2.38245958
  H     -4.80226508      0.56429969      1.23930636
  H     -6.32594449      3.24183292      3.40511865
  O     -7.20525973      3.58719437      3.18723174
  H     -6.50367985     -1.10586839      3.62207724
  H     -7.08427403      4.16992136      2.42705833
          69
 Energy    -248.05268404831747     
  O      9.97818917     10.95222204    -11.99371250
  H     10.47644171     10.12934533    -12.01237009
  H     13.32255932     12.25584127    -12.13902457
  O     14.28791301     10.54007723    -18.02557152
  H     10.18869613     11.40744395    -12.81973515
  H     16.94084748     11.14144110    -12.11412932
  O     12.02356971      8.74967764    -12.11662265
  H     14.51558963     10.21474400    -18.89183615
  H     16.65658414      9.64316549    -12.46988105
  O     14.83503075     10.13248483    -15.32261991
  H     13.32591012     10.42076731    -17.92106527
  H     15.79397243      8.98487277    -14.41412886
  O     12.75853392     11.04281510     -8.96862779
  H     12.66954330      9.46957843    -12.02227816
  H     16.89717073      7.89859016    -14.36600751
  O     13.93502422     13.21437860    -17.00898998
  H     11.86234854      8.45047825    -11.20841483
  H     13.61700201      7.57616127    -12.15478904
  O     12.11717743      9.60592465    -14.76814600
  H     14.92987266     11.03490473    -14.98520423
  H     15.08610564      7.53956286    -12.63794379
  O     14.83683709      7.39299135     -9.28070652
  H     14.74631173     10.19511704    -16.28291560
  H     16.61077283     13.28130044    -11.94832171
  O     13.84155199     10.69990057    -11.51603662
  H     12.12280336     11.69811592     -9.29737230
  H     18.00935392     13.44476514    -12.59705995
  O     12.11231038      8.34005246     -9.41265182
  H     13.50600865     11.52381316     -8.59588490
  H     11.04859119     12.60946452    -15.13126387
  O     15.36862987     13.76108174    -10.85071033
  H     14.39407562     13.19446428    -16.15938937
  H     11.49900667     11.29355022    -14.45530901
  O     13.07080538     13.12091247    -12.50551251
  H     14.17646816     12.39641107    -17.46043624
  H     15.55323043     12.60921140     -7.55376660
  O     16.62762602     10.29880978    -11.76236687
  H     13.07093804      9.71054904    -14.88750655
  H     15.62076388     11.43349818     -8.56040197
  O     16.30746950      8.41191786    -13.81947929
  H     11.97895085      9.14085011    -13.93318721
  H     15.90011078     12.86823564    -13.96098831
  O     14.47888482      7.18029385    -11.98117929
  H     14.76955236      7.27023214    -10.24384776
  H     14.36421686     12.97236800    -13.82674278
  O     17.21400740     12.92013775    -12.62513408
  H     15.07417166      6.54464633     -8.91417247
  H     10.81302128     13.85537329    -17.39500884
  O     11.16713600     12.18519658    -14.27353838
  H     14.79181540     10.53948574    -11.53105695
  H     12.17696426     13.26292599    -16.96067952
  O     15.21528815     12.30401433     -8.39168456
  H     13.54946620     10.73889715    -10.59296003
  H     16.51845735      9.97402251     -9.95440360
  O     15.07400756     12.75739441    -14.44695351
  H     12.97137540      7.93761428     -9.23846229
  H     15.73743343      9.03852876     -9.01119912
  O     11.21230429     13.13935751    -16.90860558
  H     12.20281634      9.25621415     -9.11455014
  H     10.58949396     12.17262773    -10.77157723
  O     16.21010354      9.87936667     -9.04267343
  H     14.50990081     13.74617272    -11.28847038
  H     11.69319057     13.22164528    -10.92945465
  O     11.13132268     12.80313567    -10.27135293
  H     15.26559050     13.31393982    -10.00067738
  H     11.33170347     11.25809528    -17.34953779
  O     11.64803103     10.35237548    -17.45887854
  H     12.34055615     12.94625277    -13.11702915
  H     11.62822492      9.95310773    -16.57864521
          69
 Energy    -248.05265907207047     
  O      1.03988254      0.24440188      2.82060320
  H      1.55720312      0.21068674      2.00376289
  H     -2.48549620     -0.37337848      6.60803168
  O     -2.82227141      0.29198463     -3.46475143
  H      0.11318442      0.18990816      2.54367204
  H      0.10901032      3.48901931      2.51777514
  O      0.28597306     -1.65272789      4.78209402
  H     -2.85222783      0.69323881     -4.32963635
  H     -1.24146530      3.77861150      1.83800841
  O     -4.50741124     -0.11984159     -1.20868880
  H     -2.05940666      0.67900068     -3.00354189
  H     -3.40689559      1.01957309     -0.29852546
  O     -1.92236538     -2.34003697     -2.64981889
  H      0.68457080     -1.03048402      4.15939930
  H     -1.97016402      1.50095767     -0.60704555
  O      0.12903406     -1.36120678     -1.05529745
  H     -0.47715162     -1.20803771      5.17141729
  H     -1.90003268      0.61870468      2.94926011
  O     -3.06297090      3.27417778      2.16988661
  H     -4.10923783      0.04685443     -2.07120301
  H     -2.00443836      0.57140724      1.40752692
  O     -3.27501955     -2.56034493      4.04237080
  H     -4.16819231     -0.97785956     -0.91050548
  H     -2.65501702     -2.54905922      0.21454149
  O      0.69272181      2.61114572      4.11345874
  H     -2.54599439     -2.57474709     -1.95113742
  H     -4.16353083     -2.60974170      0.48349305
  O     -0.71560051      1.14849667     -1.88489697
  H     -2.28827165     -1.55450181     -3.07327738
  H      1.56225097     -0.34032894     -0.25380649
  O     -5.69824959      2.66720820      2.57045477
  H     -0.41985320     -1.78355607     -1.73204095
  H      1.79665226      1.16833456     -0.02170707
  O     -2.18232628     -0.47335881      5.70852916
  H     -0.17916538     -1.73748833     -0.21890586
  H     -2.47632486      2.43431469      3.68265622
  O     -0.28868564      3.76592712      1.68383060
  H     -2.93989339      2.73890169      1.37156644
  H     -1.11082028      2.20569383      4.38624915
  O     -2.66939153      1.53228098      0.05704550
  H     -4.01063876      3.21934659      2.36367040
  H      1.56483191      3.58300758     -0.83752752
  O     -1.65388925      0.10013304      2.17578346
  H     -2.49293426     -3.10511025      3.89252035
  H      0.52922744      3.20138188      0.24284612
  O     -3.51568892     -2.53257796     -0.22857364
  H     -2.98437543     -1.83210903      4.60322018
  H     -0.29557189     -3.11482837      4.03164778
  O      2.05855964      0.29098180      0.28291940
  H      0.94033485      1.77321253      3.68426497
  H     -0.33399479     -4.65162762      3.84294363
  O     -2.02197379      1.88661487      4.33891316
  H      1.40846351      2.84782772      4.69699466
  H     -0.93552757     -3.01197832      1.90761370
  O      1.00811850      2.86925650     -0.53670693
  H     -0.09408601      1.81002696     -1.55552374
  H     -1.38509038     -1.55654490      1.62282646
  O     -0.75078344     -3.84037301      3.56693707
  H     -0.39421073      0.28262785     -1.58893478
  H     -5.85526418     -3.01070749      2.34597334
  O     -1.13286470     -2.39134067      1.19764937
  H     -6.58916905      2.99829826      2.64359749
  H     -4.48652884     -2.45116415      2.79002163
  O     -5.15136835     -2.42411732      2.07992258
  H     -5.77069438      1.80160403      2.13312016
  H     -5.62328221     -0.62152602      1.64211401
  O     -5.82364666      0.24747978      1.27483398
  H     -2.21652763      0.40958717      5.30541007
  H     -5.56781821      0.19776813      0.34558498
          69
 Energy    -248.05261400204600     
  O     13.78767196      6.92531807     -7.86983071
  H     13.00761230      6.63704825     -8.37796399
  H     15.35515030      8.08720419    -13.03598664
  O     16.65424791      6.16732795    -14.63962892
  H     13.59547360      6.76482129     -6.95012683
  H     13.68427091      6.54633899    -12.39672807
  O     15.70093594     10.76267035    -14.37748325
  H     16.61704711      6.98798041    -14.12903548
  H     13.29152614      7.26702078    -13.71002460
  O     11.07962815      5.60397018    -13.06057147
  H     16.07725790      6.29385165    -15.40203896
  H     12.27609873      5.48286549    -10.15341607
  O     17.78476712      4.18244304     -9.88877032
  H     16.39310014     11.41198888    -14.28404759
  H     11.26128821      6.62646221    -10.00179596
  O     16.96546676      7.77565440    -10.48932102
  H     15.98588468      9.97390281    -13.88456588
  H     18.21029185      5.47924672    -13.85209331
  O     12.92607848     10.89120086    -13.67057434
  H     11.37350419      5.97197784    -13.90411257
  H     18.57164600      4.24375768    -13.00622787
  O     17.68254130      2.75770183    -12.19639152
  H     10.76634545      6.35128459    -12.53581469
  H     13.99492036      4.46402590    -12.22745321
  O     14.59001482      9.41230029    -16.62766586
  H     18.39700791      4.90495413    -10.07373440
  H     12.49976730      4.94969095    -12.17385706
  O     11.85976433      9.65474138    -15.81371859
  H     16.92113788      4.59615970     -9.75284936
  H     14.79628318      7.68955830    -16.74065929
  O     12.36293301      6.95601696    -15.23097772
  H     17.86046987      7.41820453    -10.55204588
  H     14.89633688      6.41212813    -17.61143108
  O     16.25596152      8.44921673    -13.06079565
  H     16.39211512      7.01913882    -10.29727496
  H     16.10063378      3.52365412    -12.87473754
  O     13.78530934      7.37101085    -12.88626959
  H     13.87448374     10.96271427    -13.83504368
  H     15.77270473      4.78080697    -13.70393446
  O     11.82832943      6.03090488     -9.49710479
  H     12.82672617     10.51293386    -12.78711259
  H     20.29746902      6.53681925    -10.79466374
  O     18.88179203      5.12372933    -13.25551278
  H     17.71819718      3.18167375    -11.32005806
  H     19.23589097      5.97986917    -11.77228813
  O     13.31753110      4.86694859    -11.65811554
  H     17.93387232      1.84673160    -12.07335451
  H     11.21509042      8.45197049    -11.24341494
  O     14.79109902      6.71541645    -16.71303286
  H     15.04881128      9.92247201    -15.94883682
  H      9.67931870      8.32240419    -11.13586973
  O     15.37050649      4.07081620    -13.18808314
  H     13.64888523      9.57733758    -16.48878290
  H     14.88076779      5.97923147     -9.03412545
  O     19.36264831      6.37769737    -10.89188027
  H     12.16831098     10.13096513    -15.02091424
  H     14.68773163      5.27404344    -10.40369819
  O     10.47922901      7.81712599    -11.25799823
  H     11.14359472     10.16440941    -16.18208503
  H     14.39534271      8.50601470     -8.76168526
  O     15.35354524      5.58931814     -9.78115422
  H     13.11807128      6.72560411    -15.78703117
  H     15.55094112      8.89240794     -9.70097901
  O     14.69304376      9.18973547     -9.37537564
  H     12.08788465      7.84925891    -15.48029000
  H     13.11589154      8.67598555    -11.89697113
  O     12.75248225      9.36671562    -11.32079858
  H     16.61653340      8.30879885    -12.17547814
  H     13.37645848      9.44381208    -10.58519790
          69
 Energy    -248.05259599842128     
  O     13.17543630     11.56350709    -13.86453592
  H     13.68886397     11.29634519    -13.08916592
  H     15.45987901      5.39029096    -15.21202493
  O     14.12493697      6.15785868    -17.91340505
  H     13.69198996     11.29961327    -14.63487151
  H     15.50583037      6.00868759    -10.08344455
  O     13.19999412      5.76527034    -12.22284644
  H     14.05309422      6.02517637    -18.85467470
  H     14.52405301      5.31392764    -11.03554819
  O     12.60331100      4.45105101    -16.10234373
  H     13.78618909      7.05224079    -17.72892291
  H     14.74390295      8.20803676    -13.92930095
  O     10.69150553     10.55201515    -13.47334628
  H     12.24115570      5.77796660    -12.13042999
  H     14.04328810      8.91668015    -12.75516287
  O     13.22044727      8.62488202    -17.26086558
  H     13.46613176      6.63153391    -12.56475249
  H     15.43571859     11.25826725    -16.51527481
  O     15.53499051      7.73783893     -9.48500401
  H     13.27424584      4.21429505    -15.44976003
  H     15.39267707      9.95272975    -15.68918028
  O     18.44179348      8.25542551    -13.21598306
  H     13.05871286      4.98064443    -16.76657575
  H      9.72968793      5.47089933    -11.80531742
  O     11.67932228      8.40278630    -14.97077808
  H     10.02328377     11.22031304    -13.59714960
  H     10.38842415      5.93174697    -13.12856232
  O     16.77577925      3.74421707    -12.30547174
  H     11.55322571     10.98370345    -13.61783090
  H     10.86252177      9.30801218    -12.03439381
  O     18.02257667      5.70181771    -13.89409692
  H     12.56169040      8.53333876    -16.55739730
  H     10.77310677      7.81353812    -11.62029879
  O     15.95525302      5.95242446    -15.82671144
  H     13.75169291      9.38661412    -17.00644970
  H     15.32772961      3.91690808    -13.54657923
  O     15.34896520      5.17708539    -10.54951284
  H     14.66909940      8.16397173     -9.48137608
  H     14.03630753      4.75745102    -13.45577764
  O     13.96739254      8.16737037    -13.35883684
  H     16.10411520      8.30363929    -10.01786687
  H     10.86244502      6.75757968    -14.98533712
  O     14.84495903     10.66976069    -16.05089203
  H     19.32643199      8.46396394    -13.50587917
  H     11.18615411      5.28030748    -15.28614982
  O     10.40291893      6.04473226    -12.15970839
  H     18.31860181      7.30125958    -13.37654238
  H     12.67885816      9.54409724     -8.79926707
  O     11.05973745      8.68615515    -11.32412632
  H     11.19050114      9.13494329    -14.57754877
  H     12.32428487      8.98527365    -10.19534089
  O     14.60722607      4.27850196    -14.07534675
  H     12.46354802      8.28036631    -14.41615625
  H     16.15502113      7.65738445    -15.36699240
  O     10.55768407      5.85371175    -14.82590916
  H     17.07191584      2.93353901    -11.90175450
  H     17.00579695      8.54761311    -14.41575647
  O     13.06557851      9.23562494     -9.61448628
  H     16.31494590      4.25310867    -11.61178441
  H     15.42929454     10.19179655    -11.52878481
  O     16.23174533      8.54726490    -14.98921114
  H     17.68161797      5.01016727    -13.31203256
  H     14.00314937     10.11488451    -10.91744574
  O     14.50022575     10.38910145    -11.70080336
  H     17.45699364      5.69842450    -14.67683254
  H     17.79658875      9.98650053    -10.61340264
  O     17.12801755      9.53518590    -11.12480755
  H     15.43807016      5.98098384    -16.64168535
  H     17.59309417      9.05492969    -11.82674424
          69
 Energy    -248.05250473562441     
  O     12.16822358      9.11939286    -14.87861762
  H     11.80618542      8.93297911    -14.00386680
  H     19.28616333      6.48689227    -14.42396313
  O     16.36953725      5.75408084    -12.15364816
  H     12.67913124      9.93415102    -14.81236600
  H     16.25980503      9.37592336    -16.89598758
  O     17.57353431     10.00927242    -11.43508413
  H     15.62175084      5.88227269    -11.55450633
  H     14.85558764      8.78657427    -16.67157423
  O     18.12092605      8.80856576    -16.77356545
  H     17.13150214      6.20408476    -11.76419003
  H     15.25627057      7.64972214    -14.59283138
  O     13.58885462      4.72370971    -14.95961074
  H     17.53644926     10.17710710    -10.48495882
  H     16.02024258      7.08947348    -13.34294623
  O     14.71013169      9.23678571     -8.32039941
  H     16.67625662     10.15121591    -11.76963846
  H     10.24472492      8.11934453    -12.18333451
  O     14.22476784      6.32896630    -10.51735805
  H     18.75186861      9.28026905    -17.31251395
  H     11.54382028      7.33391569    -12.48816077
  O     15.03390012     10.12336310    -12.60608804
  H     18.22159179      9.14769834    -15.86670970
  H     18.16685575      7.21749228     -9.41032245
  O     15.34580576      6.44982322     -7.95394786
  H     13.23719286      3.93719786    -15.36817079
  H     17.75757627      8.35206830     -8.45826155
  O     18.24174508      6.03835365    -16.08316309
  H     14.54798366      4.58418249    -14.86095008
  H     13.01066611      5.79156229    -11.87335445
  O     16.25966813      4.52825274    -14.62525713
  H     14.81017376      8.30947808     -8.07308001
  H     12.79513608      5.41930497    -13.36770478
  O     19.66432827      7.01469937    -13.71286801
  H     14.13454098      9.24377907     -9.09725001
  H     18.18580048      9.83074856    -13.26768209
  O     15.33251145      9.61817672    -16.80848601
  H     14.54825274      6.23386336     -9.61272375
  H     17.36841109      8.82754126    -14.09595602
  O     15.88268230      7.87100225    -13.89225879
  H     13.95251057      7.25303421    -10.61090122
  H     18.17377093      8.22034226    -11.32765993
  O     11.17436655      8.22825660    -12.36500768
  H     14.73328025     10.68815628    -13.32801147
  H     19.02823115      7.10902293    -12.00463157
  O     17.82247370      7.39153967     -8.52364495
  H     15.26519661      9.27667088    -13.02096368
  H     17.40303468     10.88449335     -8.00390432
  O     12.37417613      5.82169975    -12.59953044
  H     16.26680439      6.71090465     -8.13639054
  H     16.29651937      9.93425326     -8.52036994
  O     18.16461313      9.38614164    -14.12221631
  H     15.36493464      5.89713201     -7.17767513
  H     13.77318562      6.43613965    -15.68955772
  O     18.47412063      7.30550377    -11.23597534
  H     18.68775138      5.57253968    -16.78846327
  H     13.25563815      7.90290713    -15.55160274
  O     17.22332904     10.20614800     -8.64929475
  H     18.13457109      6.95122553    -16.38721374
  H     12.51322632      8.82265511    -11.21794205
  O     13.99185681      7.35636600    -15.87296353
  H     16.38038897      4.80181285    -13.70379543
  H     13.91465338      9.46782728    -11.37037768
  O     13.34294666      8.98811601    -10.75365248
  H     16.89649436      5.03416778    -15.14240304
  H     13.94001340     12.11630773    -15.38505026
  O     14.11794546     11.26676491    -14.99041895
  H     19.32491560      7.90690616    -13.86764710
  H     14.58707420     10.74086334    -15.66260004
          69
 Energy    -248.05243476872337     
  O     -3.53917332      0.32550268      1.75735872
  H     -2.72597105      0.48111134      2.26098693
  H      2.43728062     -1.08354715      2.94529358
  O     -3.99026062     -0.91104160      6.22875337
  H     -4.22781561      0.21485281      2.42390103
  H     -0.99508780     -1.32671957      0.85807132
  O     -1.14307597      0.48901022      3.15986997
  H     -4.08224467     -0.58473551      7.12041867
  H     -1.28987768     -2.47224496      1.88258008
  O      1.20301629     -1.65773719      5.83392162
  H     -3.03667125     -0.90909996      6.03127015
  H     -1.93704407     -3.93080409      3.34159764
  O     -4.23581769     -3.75916382      5.57525292
  H     -0.92039258     -0.34645436      2.71687957
  H     -3.20181449     -3.64150600      2.49499318
  O     -1.37705689     -0.95309644      5.51024239
  H     -0.41017667      1.08621328      2.96717898
  H      2.22377847     -2.10934524      0.62667001
  O      1.20377006     -4.50589661      5.23757953
  H      1.68410081     -1.19830952      5.12804701
  H      1.07676842     -2.07979338      1.65063908
  O     -1.75383909     -0.09640531     -0.41789411
  H      1.34019965     -2.59952774      5.68731064
  H     -4.79527341     -3.51923505      3.84950575
  O      1.50136941     -4.79070740      2.56295190
  H     -4.27613659     -2.86685320      5.93763635
  H     -5.12864378     -2.18675713      3.17956765
  O     -0.24050028     -3.34465108     -1.30689798
  H     -3.29067678     -3.95214200      5.50265283
  H      1.17566690     -2.31115096     -1.28787215
  O     -0.67277235     -5.32283415      0.72765081
  H     -1.33047205     -0.36822583      4.74196555
  H      2.51473246     -1.92513010     -1.95735329
  O      2.40812547     -0.43553589      3.66183630
  H     -0.45929234     -1.14058208      5.76563761
  H      1.13102729      1.43659866      1.36494104
  O     -0.68957639     -1.74629620      1.67189642
  H      1.73725097     -5.15319929      5.69031921
  H      1.54636965      2.66038320      2.21310000
  O     -2.27561499     -3.90195464      2.43381018
  H      1.34919951     -4.64032304      4.28397219
  H     -0.03521277      0.58633371     -0.38850133
  O      2.02531494     -2.26347373      1.55693182
  H     -2.44420204      0.20078250      0.18880978
  H      1.36217757     -0.01937325     -0.58899923
  O     -4.93149878     -3.11069511      2.98139389
  H     -2.14720564     -0.74764888     -1.01185913
  H     -3.48359513     -2.32836151     -0.99334906
  O      1.95663747     -1.73438016     -1.20839991
  H      0.83472534     -5.08581295      1.93406301
  H     -3.40756961     -2.38201646     -2.53737275
  O      1.17199150      1.78577079      2.27340094
  H      1.83269712     -3.95050074      2.21406531
  H     -6.19887441     -0.06474629      4.03964432
  O      0.90445824      0.74835275     -0.22711880
  H     -0.33014372     -4.03611225     -0.63966800
  H     -4.87395349     -0.52085643      4.69084369
  O     -2.87119894     -2.32260551     -1.75102730
  H     -1.13662069     -3.05850145     -1.52001186
  H     -1.42091338     -2.78900200      5.17942155
  O     -5.32595393     -0.39661076      3.84085655
  H     -1.31355735     -4.88659308      1.31433129
  H     -0.58021803     -4.09356310      5.19628380
  O     -1.46798584     -3.74566852      5.04453320
  H     -1.01842970     -6.19359011      0.54528107
  H     -4.13954437     -1.22203088      0.84148429
  O     -4.44095971     -2.04231121      0.42827452
  H      2.06854523      0.37227911      3.26162967
  H     -4.76273214     -2.58775563      1.15492708
          69
 Energy    -248.05236683941484     
  O     18.04388888      8.15422035    -16.13536320
  H     18.60265010      8.36311518    -15.37779991
  H     17.66188926      9.53772535    -17.25964579
  O     15.03922086     10.01049323    -11.45568232
  H     17.31998205      7.62312694    -15.78349475
  H     14.61723927     10.95126935    -18.94710044
  O     17.67716579     15.72331539    -14.33139536
  H     14.78337386      9.54738256    -10.64474894
  H     15.85193962     10.83486076    -18.01660493
  O     15.67551700      7.21294730    -14.79072674
  H     14.32731180      9.89862053    -12.09886977
  H     17.59001041     13.34769669    -12.22361354
  O     14.40837261      8.41637684     -9.31498314
  H     17.95148374     15.03243195    -13.70135963
  H     18.75528301     12.99342312    -13.17630141
  O     15.22870508      6.47155820    -11.08044681
  H     18.18037866     16.50493219    -14.12086563
  H     12.97173297     12.97850471    -13.31825032
  O     16.32697499     11.56455833    -14.38171993
  H     14.89750440      6.85913156    -14.34572817
  H     13.25175122     12.56995347    -14.77128148
  O     13.11316202      9.63668700    -13.48742312
  H     15.38162639      8.03738869    -15.21206846
  H     20.08543713      8.38558172    -13.27078232
  O     16.97795659      8.27524335    -12.55005293
  H     14.54122970      8.19941889     -8.39629180
  H     18.57055329      8.68376875    -13.18901921
  O     19.11066805     11.58609430    -14.36266960
  H     14.67547838      7.63010066     -9.82048164
  H     12.47642589      6.43231507    -13.29718220
  O     14.81670237      9.65187757    -15.64350016
  H     14.53441679      6.50336439    -11.75150117
  H     13.12254866      7.83018760    -13.21316839
  O     17.46249398     10.33073077    -17.77811402
  H     15.98836166      6.91477935    -11.47702892
  H     14.12210292     14.77181212    -12.93237417
  O     14.91117492     11.09585711    -18.05251039
  H     17.28839605     11.55166016    -14.46521048
  H     13.26034578     14.92289413    -11.65288370
  O     18.36643045     13.71665511    -12.66629871
  H     16.13019352     11.90571845    -13.49960054
  H     16.59521695     13.90137505    -16.66525508
  O     12.75070583     12.32035444    -13.98938973
  H     12.78740039     10.54683383    -13.53136934
  H     17.63044589     14.77501379    -15.93493170
  O     19.38479656      8.88516755    -13.68234023
  H     13.65380160      9.54929474    -14.28718437
  H     15.17313604     13.16009086    -11.81942996
  O     13.31231756      6.87828101    -13.18220513
  H     16.38191014      8.93861179    -12.17631901
  H     15.63457999     11.69663325    -11.52826181
  O     13.73747541     14.28720857    -12.17881688
  H     16.54606353      7.90460425    -13.33376711
  H     15.40475167     12.63100481    -15.46617455
  O     17.51323796     14.18928681    -16.69483923
  H     19.35397589     11.75261262    -15.28247566
  H     14.74080060     12.54037725    -16.85990565
  O     15.93876197     12.57190938    -11.81019731
  H     19.31753625     10.66717070    -14.14943720
  H     15.80676338     15.58864726    -14.33777756
  O     14.85272564     13.12203229    -16.09740220
  H     14.70103646     10.01708330    -16.52687236
  H     14.76582886     14.72124561    -15.07821794
  O     14.86605236     15.37290650    -14.37246694
  H     15.41840270     10.25325366    -15.17597984
  H     18.75256429     13.01147268    -16.97705987
  O     19.40404044     12.29087297    -17.05884589
  H     18.17589306     10.95561984    -17.60985741
  H     20.10377884     12.61140947    -17.62128225
          69
 Energy    -248.05236011173918     
  O     12.90240906     10.23993685    -16.17655483
  H     13.71045435     10.71598839    -16.39332448
  H     20.55793156      7.65021090    -14.44099654
  O     16.01311317      6.76078451    -12.75682490
  H     13.04818011      9.34360018    -16.51704242
  H     15.65963523     10.04021934    -15.95243879
  O     17.75380369     10.54610871    -11.40154025
  H     15.26649807      6.86290373    -12.15220172
  H     16.27611414     11.42418384    -16.18249801
  O     17.21882708     12.41198243    -14.88487709
  H     16.81144352      7.07551295    -12.31274799
  H     15.62152934      7.95993149    -14.00388469
  O     13.41613336      5.22014553    -15.60801314
  H     16.94372191     10.69242589    -11.91066286
  H     14.79752714      8.29898611    -15.28861528
  O     14.32132745     10.05306805     -8.97825447
  H     17.53975219     10.68825280    -10.47147233
  H     10.75064635      9.82834336    -13.92675366
  O     13.78131859      7.28569811    -11.22399285
  H     17.96827605     11.86384286    -14.58956433
  H     12.10862963      9.89135969    -14.65782504
  O     15.58315442     10.92564671    -13.10107744
  H     17.53669826     13.30930840    -14.93475962
  H     17.72425168      7.62904476     -9.86513524
  O     17.68341092      7.30296724    -15.86456339
  H     12.82038808      4.49716940    -15.78540176
  H     17.30022081      8.71342617     -8.85245114
  O     14.63644050      7.22265298     -8.57448256
  H     13.02875236      5.72924828    -14.87266065
  H     12.10024806      7.69286129    -13.77857849
  O     16.23778456      5.12820947    -15.03012677
  H     14.27957952      9.11549107     -8.75159308
  H     12.81304507      6.80096443    -12.75006771
  O     19.71894130      8.01230816    -14.16624800
  H     13.88675781     10.14566765     -9.83580557
  H     19.41330912      9.91676946    -14.02343771
  O     15.73407828     10.74802914    -16.60682554
  H     13.66161350      8.23860868    -11.34697199
  H     18.83038556     10.80481017    -12.90877436
  O     15.46240984      8.64065640    -14.67464142
  H     13.98354213      7.14585807    -10.29099662
  H     18.13585945      8.79356867    -11.56534030
  O     11.67027545      9.58754203    -13.84373615
  H     15.51187267     10.11522209    -13.62759746
  H     18.90388441      7.78805947    -12.44949735
  O     17.25732556      7.76555668     -9.03192417
  H     16.00127194     11.58245052    -13.67118470
  H     17.12059821     11.17924951     -7.98084716
  O     12.41652935      6.79428872    -13.63078043
  H     17.30645829      6.42244395    -15.70846234
  H     15.99520733     10.49751923     -8.79779930
  O     19.14020957     10.81935262    -13.82523669
  H     17.01645768      7.91232235    -15.52247067
  H     16.14661078      9.26475938    -17.84469868
  O     18.32318817      7.84962513    -11.68177623
  H     14.53092561      6.65002297     -7.81990115
  H     16.87643259      7.93168240    -17.57385911
  O     16.96006655     10.61589138     -8.73280210
  H     15.59421899      7.32832892     -8.71846157
  H     14.13879792     10.46362377    -12.09342154
  O     16.17910731      8.33458989    -18.10495747
  H     15.31824134      5.03449987    -15.30481684
  H     12.70864898      9.94026851    -12.33793549
  O     13.39172360     10.02743939    -11.66026820
  H     16.19552461      5.52657431    -14.14884052
  H     14.59588352      7.78748605    -17.37725471
  O     13.83811806      7.72183059    -16.77684569
  H     19.06234822      7.71874628    -14.81987045
  H     13.69064577      6.79562150    -16.55430115
          69
 Energy    -248.05235386183995     
  O     13.33550393      9.40008153    -16.50977675
  H     12.87850709     10.25016000    -16.51345800
  H     13.45007799     12.16192702    -13.42546911
  O     12.05724875      7.24542779    -10.55651408
  H     12.64194450      8.73339728    -16.42000535
  H     17.21520898     10.61174508    -10.53696345
  O     14.52641585      9.00921839    -14.08557188
  H     13.00062026      7.32684904    -10.35499914
  H     17.13929498      9.64989463    -11.75010591
  O     12.85853537     12.85546182     -7.23676296
  H     11.64183467      8.03896677    -10.20180403
  H     17.06163633      7.30766581    -12.94382401
  O     11.83681956     11.83083874    -16.19630160
  H     14.28605764      9.14955761    -15.01287807
  H     15.87680446      8.27861173    -13.14568197
  O     12.09045018      8.08551768    -13.15357241
  H     13.73380797      8.64933330    -13.66207581
  H     11.69617330     15.19342761    -11.62386410
  O     15.22545603      9.04307985     -7.75029849
  H     13.03668973     13.39851232     -6.47376976
  H     11.79922941     13.84581220    -10.86934188
  O     13.87920067     10.59242881    -10.55431245
  H     13.68138902     12.81462584     -7.75620188
  H     15.41018732      7.79775495    -10.97226425
  O     12.60405517     10.01394176     -7.43908525
  H     12.08293200     12.12421195    -15.30401234
  H     14.48722489      8.87198528    -10.35422256
  O     14.95010118     13.89449537    -11.27589177
  H     11.81730587     12.61053063    -16.74611710
  H     10.16601428     10.31597030    -13.58313115
  O     11.23669759     10.05484090    -10.05671806
  H     11.60327103      8.91269556    -13.03381895
  H     11.30797725     11.16026704    -12.97402619
  O     12.54016920     12.44139974    -13.58950492
  H     12.07660459      7.63359396    -12.29869130
  H     15.82793291     12.08549161     -8.74742074
  O     17.19566954     10.58097171    -11.50110999
  H     14.32993100      9.34163099     -7.53787156
  H     15.09370240     13.13175184     -9.66345454
  O     16.53319987      7.96664195    -12.50034764
  H     15.12900436      8.44096614     -8.49985553
  H     15.92470727     11.28415955    -12.47934309
  O     12.15443937     14.35738662    -11.61877156
  H     14.24823890     10.89487153    -11.39125665
  H     14.90460486     10.65720199    -13.45909117
  O     14.76107667      7.94465970    -10.27588868
  H     14.19230818     11.20617360     -9.87811906
  H     10.35600997     10.67022935    -15.74858437
  O     10.67765800     10.45700443    -12.77246584
  H     12.61352850     10.95706953     -7.23286229
  H     10.11632024      9.16285277    -15.57293483
  O     15.01348725     12.59056525     -8.86358887
  H     11.96334823      9.91146294     -8.15003853
  H     16.46749206     10.12128306     -8.26373265
  O     15.09772794     11.46352634    -12.95766231
  H     14.02828956     14.16041272    -11.39274074
  H     17.87865978     10.73253501     -8.07797592
  O      9.76683383     10.02939713    -15.33046586
  H     15.13355504     13.26192468    -11.97759590
  H     11.07130934     11.95542541     -9.67644578
  O     17.10468499     10.76012830     -8.63395630
  H     12.17917278     10.22825407    -10.22217466
  H     11.69804488     12.96765809     -8.69800692
  O     11.24097511     12.89513352     -9.54573551
  H     10.81118384     10.13339966    -10.92163224
  H     10.98317813      6.69563684    -15.89341539
  O     11.24754994      7.59699844    -15.72825712
  H     12.35101201     13.16405209    -12.97577533
  H     11.53781042      7.63797965    -14.80102368
          69
 Energy    -248.05226842516095     
  O     18.76240821     10.22794754    -14.44477126
  H     19.27924730      9.42817568    -14.59724836
  H     20.13186993      6.64470692    -14.63137730
  O     21.51489926      7.82966671    -12.24809692
  H     17.97925772     10.15628138    -15.00438374
  H     20.73836095      4.86862117    -13.31777731
  O     15.58063899      7.78177061     -9.68098506
  H     21.00765912      8.36585214    -11.61894563
  H     19.58528392      4.28907354    -14.15925662
  O     12.47764499      8.89492106    -12.11997068
  H     21.06138369      7.89427740    -13.09499259
  H     15.12429805      9.42391361    -14.82542278
  O     16.45819321      9.77160076    -16.11037682
  H     15.30004643      7.02031107    -10.20685864
  H     15.16415556      9.25795660    -13.29124826
  O     12.00255557      6.09392768    -12.51855808
  H     14.78687427      8.30584994     -9.49161478
  H     17.20903273      7.86051422    -12.60305921
  O     18.71006271      5.66086154    -10.75244329
  H     12.19607244      7.97889105    -12.23740829
  H     18.01918392      6.58859095    -12.18282691
  O     14.65060233      5.74217820    -11.38087291
  H     13.06396835      9.09648829    -12.85887246
  H     14.97265502      5.98322187    -14.53866683
  O     21.35881082      5.25520341    -11.52374033
  H     16.32873496     10.25891761    -16.92025727
  H     14.33923354      7.36100397    -14.17310121
  O     16.80747804      3.83559441    -11.59679439
  H     16.86959144      8.92395649    -16.35837064
  H     17.22641858      7.71393871     -9.06236725
  O     17.97328617      3.21433447    -13.97596476
  H     11.28134253      5.58994060    -12.88627846
  H     18.22769872      7.65119074     -7.88589136
  O     19.80525677      7.55650109    -14.58710268
  H     12.70155149      6.11088413    -13.19637054
  H     12.98727061      9.19151755    -10.45296605
  O     20.34469320      4.88222720    -14.19882549
  H     18.64010426      6.28252249    -10.01832467
  H     12.70813937      9.83863444     -9.08472823
  O     14.59389434      9.14823586    -14.06840462
  H     19.64582702      5.49333338    -10.92653566
  H     19.40397697      9.94112899    -10.91333756
  O     17.65273155      7.07089318    -12.93559749
  H     13.69307069      5.66996760    -11.31218833
  H     19.31554375      8.77317358     -9.90328045
  O     14.22037839      6.40301324    -14.10168340
  H     14.78655682      6.01969069    -12.29776483
  H     18.46174508     12.08595361    -11.89426706
  O     18.17080947      7.65330131     -8.83820198
  H     22.17583104      4.92170015    -11.16452036
  H     18.55846643     10.86688717    -12.84582363
  O     13.32003593      9.26927971     -9.54224469
  H     21.51104813      6.19124460    -11.75449151
  H     16.99051032      6.04773021    -14.24794538
  O     19.91480255      9.23458972    -10.50035287
  H     17.49998729      4.37624160    -11.18911372
  H     17.03987090      4.60776989    -14.79652476
  O     18.36039761     11.13890695    -11.93067078
  H     15.99293491      4.33578499    -11.47587467
  H     18.59038299      7.48778878    -16.13444553
  O     16.64854023      5.47448082    -14.95412162
  H     17.54075463      3.36872861    -13.11693053
  H     17.29690318      6.67521929    -16.22242728
  O     17.74703643      7.44310326    -16.60041491
  H     17.96365601      2.27231366    -14.12261253
  H     16.94320797      9.98515248    -11.80104546
  O     16.29976422      9.27754000    -11.93240386
  H     19.04130387      7.50319381    -13.98976568
  H     16.05093139      8.90602956    -11.07733661
          69
 Energy    -248.05221029560474     
  O      2.44239454     -3.92092440      0.18807257
  H      3.36864515     -4.03157770     -0.07125584
  H      4.82222409     -1.71061748     -5.07400586
  O      7.22816731     -1.07966211      0.41539824
  H      2.38359592     -3.08563211      0.67562239
  H      3.47686891     -1.67701981      1.81926523
  O      7.18113491      1.28869902      1.76579701
  H      7.26942133     -0.16514786      0.73178194
  H      2.07047204     -1.27678555      2.35225031
  O      2.51661883     -5.13072429      2.78168235
  H      6.70323137     -1.10138423     -0.39411082
  H      9.07870021     -0.24268941      4.20572729
  O      3.84664860     -4.20856910     -3.28145468
  H      7.42962637      0.84638886      2.58566492
  H      8.39300157     -1.30956374      3.32470508
  O      5.36646511     -1.34669458     -1.54656396
  H      6.23602663      1.48122192      1.80821522
  H      5.25586623     -3.10453938     -0.94193518
  O      1.26635479     -3.54358909     -2.24318779
  H      3.47808006     -5.11507083      2.87537105
  H      5.82373096     -4.33494619     -0.16844581
  O      5.17900212     -1.94729167      2.20752039
  H      2.34877219     -4.86366293      1.87035567
  H      7.41613269     -5.89221875      1.09423497
  O      3.87244879      0.72056361      4.11887243
  H      4.33341452     -4.34372742     -2.45802711
  H      6.46812299     -4.99287493      1.91870062
  O      8.56624050     -2.64700113      2.17422083
  H      2.92151864     -4.09627875     -3.02639830
  H      6.62212637     -0.82575718      4.63497174
  O      4.35453303      1.79825146      1.50692400
  H      4.66523586     -0.80424706     -1.15982026
  H      5.11000109     -0.37074199      4.70536314
  O      4.48766827     -1.72760151     -4.18196454
  H      5.19146319     -1.40033857     -2.49354233
  H      2.86583793     -1.01646956     -3.36380747
  O      2.55197870     -1.53775610      1.55908243
  H      1.59210634     -3.71462400     -1.34263462
  H      1.73539205     -1.70446973     -2.58833158
  O      8.23151647     -0.51212017      3.85978045
  H      0.41771941     -3.97288252     -2.31438226
  H      1.74596214     -1.70608855      4.38788668
  O      5.08924173     -4.02986801     -0.71168142
  H      5.37387529     -1.59981450      3.08796427
  H      0.61259746     -0.65039726      4.37456246
  O      7.07973868     -5.00147046      1.16232947
  H      5.89218372     -1.67873909      1.61559397
  H      5.28091390     -2.66274180      5.52926653
  O      5.72363890     -1.10886273      4.84962811
  H      3.97243660      1.10438891      3.23940102
  H      5.29544789     -3.70894338      6.67025235
  O      2.14012524     -0.84333363     -2.75183376
  H      3.01250798      0.28092023      4.13310234
  H      2.23528000     -3.93673176      4.13853609
  O      1.48714287     -0.83100604      4.04205420
  H      8.22433442     -3.52223264      1.97204441
  H      3.13722005     -3.39088589      5.26623190
  O      4.99592913     -3.56003466      5.77747509
  H      8.24972727     -2.09632271      1.43906700
  H      5.27168861     -4.40257471      4.10722840
  O      2.28775767     -3.26180640      4.83147198
  H      4.14153521      2.70996131      1.31706445
  H      5.19875977     -3.67876563      2.74848857
  O      5.28383741     -4.55587747      3.15471532
  H      3.99645902      1.27826153      0.76985578
  H      2.77947710     -0.04253913     -1.26774380
  O      3.26228404      0.16241911     -0.45339600
  H      4.28980143     -2.65786632     -3.97011780
  H      2.90655817     -0.41926874      0.23593103
          69
 Energy    -248.05212435599248     
  O     16.28347451     12.54233454     -9.47735658
  H     16.48019849     11.59729537     -9.49775481
  H     12.23021359     13.44925663    -12.18140224
  O     13.18852710     12.75115938    -15.78620586
  H     17.13188533     12.99261143     -9.37089950
  H     19.82143118     15.26671662    -13.97536739
  O     15.33907463     16.39900813    -10.76049601
  H     13.99631809     12.96341821    -16.26876544
  H     18.63301385     15.15085540    -12.99224301
  O     13.90107224     10.13647449    -15.11617986
  H     13.25032670     11.80560381    -15.59656759
  H     16.63218419      9.41552342    -10.49121507
  O     16.67430388      8.31067186    -14.31085143
  H     15.09364453     17.21128065    -10.32678199
  H     17.32988806      9.19052706     -9.13264340
  O     15.81516132     12.78516044    -12.25589474
  H     14.87020475     15.67912744    -10.29840853
  H     16.08080855     13.83240591    -16.46010943
  O     15.66063682      8.77663937    -11.79730663
  H     14.83569847     10.36958906    -15.22555128
  H     15.89794441     13.36720478    -17.92527994
  O     16.58889544     10.88646608    -15.49552379
  H     13.84295218      9.17802377    -15.20198854
  H     13.81329492      6.55765295    -15.60963466
  O     16.59910672     15.05278797    -15.37718825
  H     16.79046941      9.12929670    -14.81085198
  H     13.86533267      7.08938276    -14.15886737
  O     13.91661666     10.81028169    -12.42054538
  H     15.91189164      7.86911712    -14.70405210
  H     18.58225959     10.78612190    -10.68568873
  O     12.24135458     14.38856284    -13.85561279
  H     15.93964498     12.82674628    -11.29925362
  H     18.93668281     11.56729198    -11.97388094
  O     12.38643045     12.96286202    -11.36306112
  H     15.47391148     13.63548004    -12.56163620
  H     18.31425165     14.98544709    -10.73506530
  O     18.97763681     14.84146785    -13.84962452
  H     15.01618075      9.48321511    -11.95781356
  H     17.14297217     15.90139003    -11.17249934
  O     17.14922477      9.85364764     -9.79423860
  H     16.13053251      8.61553837    -12.63028672
  H     17.29775903     12.36247559    -13.09392955
  O     15.74667584     13.10794090    -17.02055703
  H     17.19300049     11.28803060    -14.85469807
  H     18.53297356     13.01649491    -13.75251703
  O     14.06542144      7.31223096    -15.08406583
  H     16.35747095     11.58786782    -16.11765389
  H     13.44257256     13.85025235    -10.17167187
  O     19.20380146     11.42462719    -11.05583368
  H     15.95643827     15.19631994    -14.66816660
  H     14.76563362     13.64749995     -9.38916358
  O     18.01785455     15.58823636    -11.42880883
  H     17.46280175     15.03727914    -14.94892882
  H     12.94689267      7.00332346    -11.80489379
  O     18.12833466     12.16234122    -13.55678607
  H     13.77690876     10.57443535    -13.34757225
  H     14.39205450      7.45942994    -12.05566298
  O     14.10191443     14.30651080     -9.62819245
  H     14.57224502     11.52576721    -12.41196484
  H     19.56695329     13.73310113     -8.90732389
  O     13.68604074      6.88955321    -12.39829685
  H     11.46120622     14.82743113    -14.18368494
  H     19.08635418     12.87261942    -10.10283079
  O     18.87105690     13.64860471     -9.55325327
  H     12.54427812     13.79104137    -14.56349800
  H     14.91305306     15.75534492    -12.43818730
  O     14.83182338     15.22042020    -13.23779050
  H     12.76392621     12.11790437    -11.63832305
  H     13.89590011     15.04366919    -13.40035299
          69
 Energy    -248.05199329832936     
  O     17.58970141      8.31308807    -15.84532672
  H     16.74021634      8.67963767    -15.56867081
  H     14.46537871      7.46538567    -15.82117776
  O     16.45301013      1.77331551    -12.35116234
  H     17.38093458      7.65067421    -16.51342304
  H     18.05665920      1.45537810    -11.82032602
  O     20.80385464      5.63447391    -13.66183815
  H     16.41163378      1.87542015    -13.30898701
  H     19.10263931      0.69791295    -10.96213414
  O     17.99842236      4.23418740    -16.14842771
  H     15.92032814      2.47830048    -11.96119463
  H     12.55296906      8.29012285     -9.74342896
  O     13.89463967      5.47576816     -9.16840793
  H     20.43425289      5.13576256    -12.91925728
  H     13.51104519      7.07527435     -9.73457327
  O     17.27850817      7.94210865    -11.34581773
  H     20.84649898      5.00621462    -14.39071149
  H     18.72664720      4.55168835    -11.08274104
  O     19.51868586      1.45650326    -14.42133473
  H     18.94466602      4.04032532    -16.16158234
  H     19.27976890      3.20521791    -11.64312894
  O     17.39172731      5.40532073    -10.19555175
  H     17.81725866      4.62963682    -15.27994716
  H     14.53492224      5.70158252    -14.48363275
  O     16.76909102      6.18936342    -17.62456385
  H     14.18425322      4.85862412     -9.85327594
  H     15.77596425      5.33944583    -13.62380807
  O     17.53502268      5.23256851    -13.66167849
  H     14.63368421      5.55773895     -8.55286986
  H     19.69012776      7.08798239    -13.65680645
  O     20.66787292      3.55571807    -15.70722634
  H     17.95236215      7.96763692    -12.03957480
  H     18.59498102      7.95900727    -14.39977968
  O     14.38035325      6.53976984    -16.08273726
  H     16.42095079      8.00706753    -11.78803998
  H     14.18690788      8.03344253    -11.69909932
  O     19.01008338      1.37110390    -11.62992362
  H     18.59987051      1.42934143    -14.71456276
  H     14.67636394      7.06651398    -12.82542841
  O     13.41093480      7.99616473    -10.03717664
  H     19.48715309      1.35275340    -13.46232139
  H     14.88027860      4.47313505    -12.05907787
  O     19.28846940      4.16158026    -11.76805719
  H     17.12781253      5.52709942     -9.27597519
  H     15.95082700      4.48010727    -10.92772325
  O     14.81160501      5.44442088    -13.59294236
  H     17.38311206      6.28217746    -10.60767424
  H     17.11198325      2.71192120    -15.63109911
  O     18.91062688      7.65030650    -13.53728407
  H     16.94256969      6.10926311    -18.55913100
  H     16.17779606      1.50329631    -15.84617204
  O     14.72229635      7.97846300    -12.50049457
  H     17.22460369      5.44999273    -17.18930564
  H     16.55696694      6.13132263     -6.78627086
  O     15.15621985      4.02633670    -11.24555536
  H     18.06659940      4.70828484    -13.04890626
  H     16.22070889      7.00450637     -8.02031668
  O     16.78031592      1.89861299    -15.22020722
  H     17.92123445      6.11956937    -13.65530203
  H     16.57804162      8.48080477     -9.67557409
  O     16.28599509      6.08669027     -7.69879969
  H     21.44461017      3.27893747    -16.18606379
  H     15.10535342      8.50953227     -9.22463398
  O     16.01142222      8.51387939     -8.89220015
  H     20.34973318      2.77690677    -15.21566275
  H     14.87508565      8.82648521    -14.06385855
  O     14.98369326      9.13270351    -14.97964560
  H     15.11290832      6.37840204    -16.69005057
  H     14.58132282      9.99617392    -15.02915241
          69
 Energy    -248.05195566353464     
  O     18.62378718      9.52201198    -15.47046019
  H     17.78313981      9.18324004    -15.79781897
  H     19.66795953      3.94234626    -14.08853802
  O     22.05888078      7.55435797    -12.71345587
  H     19.16191274      8.74474196    -15.25901656
  H     13.82766056      9.33842338    -13.81598173
  O     16.49781501      9.05969321     -9.72479237
  H     21.82667058      6.71948716    -12.26384463
  H     15.35367704      9.27186279    -13.43334013
  O     12.18541584      9.76677793    -13.20444846
  H     23.00918182      7.57889137    -12.77821391
  H     18.63246499      7.16304196    -13.32078781
  O     16.12215747      8.37682294    -16.28861985
  H     16.06086623      8.20020925     -9.68760951
  H     17.50037155      7.94406014    -12.58556141
  O     18.98027392      6.26882723    -10.21526751
  H     17.39398373      8.94450856     -9.38399970
  H     14.79795450      5.90722110    -12.94668012
  O     14.94530385      6.63296275     -9.93794377
  H     11.85113695     10.44190535    -12.61880654
  H     14.36138102      7.38306061    -13.12533665
  O     21.24147041      5.30188421    -11.54027796
  H     11.83808616      8.92528956    -12.86762849
  H     19.70458537      9.10014262     -9.86171169
  O     16.88339576      4.50634960     -9.90532049
  H     15.55825118      8.56528655    -15.51945654
  H     19.74914362      9.13663297     -8.31448904
  O     17.27429903      2.89529313    -12.04152024
  H     15.64393519      8.68197386    -17.05624338
  H     18.61226459      5.09847368    -15.97352440
  O     19.98442700      7.30171206    -14.55496223
  H     19.10671718      7.07044106     -9.69456571
  H     19.86229251      4.41091369    -16.57448566
  O     19.83112633      3.60202271    -13.20127081
  H     18.61749469      6.54818564    -11.06992194
  H     20.01846092     10.03988653    -12.02748384
  O     14.67563676      8.92962650    -14.03766266
  H     14.67694126      6.64643216    -10.87027746
  H     21.03583275      8.88653811    -11.82205841
  O     17.91750494      7.07832659    -12.67592911
  H     14.13785045      6.65312267     -9.42783337
  H     19.10343871     11.92845381    -13.47135114
  O     14.18626762      6.57943519    -12.61578097
  H     20.53533148      5.56941687    -10.93745468
  H     18.85560017     10.53360454    -14.09704920
  O     19.25052632      8.79884210     -9.05313537
  H     20.84416862      4.64207224    -12.12751968
  H     16.85585992      5.72829819    -13.18151346
  O     19.53179521      4.83528126    -15.78739950
  H     16.16187082      5.14336141     -9.85759313
  H     16.53067607      4.21136294    -13.07091855
  O     20.46739571      9.51178453    -11.35659684
  H     17.69076339      5.04130949     -9.88282466
  H     16.60556336      5.36077801    -15.25837774
  O     18.95603999     11.01223332    -13.25357221
  H     17.08673572      1.98628831    -11.82474245
  H     16.70174959      6.56393190    -16.22228191
  O     16.25198193      5.03370070    -13.49125399
  H     17.13364967      3.41300625    -11.22767338
  H     12.41318409      6.86562542    -12.39829552
  O     16.97796238      5.64781853    -16.10447516
  H     20.77871602      7.36100397    -14.00878818
  H     10.92572633      6.54070027    -12.61022875
  O     11.51570260      7.22162548    -12.29523592
  H     19.97112200      6.44146300    -14.99351078
  H     17.42958385     10.19889559    -12.57187372
  O     16.69437837      9.61005052    -12.36684508
  H     18.97843944      3.32820565    -12.84428038
  H     16.60421511      9.53555090    -11.40427209
          69
 Energy    -248.05189788885002     
  O     18.26161202      9.56527769    -10.20898443
  H     17.74771366      9.51164072    -11.03646873
  H     15.11938106      7.89925320     -7.42855296
  O     16.50267899      3.27054210    -10.01166143
  H     19.09715028      9.97054290    -10.42442260
  H     13.61531239      9.66395690     -7.28430458
  O     13.83301216      5.15283345    -11.87373581
  H     15.55144372      3.11985648     -9.97638871
  H     12.22149377      9.47443294     -7.91796563
  O     13.02313145      7.21106651    -10.22596983
  H     16.64393891      3.90415830    -10.72690858
  H     17.21748258      7.16894804     -4.57751956
  O     16.65532901      7.00034776    -14.18813279
  H     13.64362370      4.41064457    -11.28641743
  H     16.35828769      7.48678328     -5.81460184
  O     13.62997263      3.18123460     -9.84979578
  H     14.79648356      5.25922728    -11.85836281
  H     13.63735439      8.63045998    -11.20101277
  O     16.75360946      9.23084240    -12.39466522
  H     13.79745730      7.13196418     -9.64651298
  H     14.01906522     10.12222133    -11.20407587
  O     18.81324266      5.92771103     -7.47098994
  H     13.11816795      6.48850481    -10.85943581
  H     16.77046323      5.85268865    -12.69782919
  O     13.95643794      4.50054906     -7.49893161
  H     15.68625197      7.09950561    -14.16390072
  H     17.07406372      5.93806667    -11.17859981
  O     17.73363771      6.84636374     -9.78279407
  H     16.90014968      6.90606954    -15.10448778
  H     13.87168729      8.05692286    -13.22514425
  O     15.20147094      6.71155783     -8.69687044
  H     13.10565698      2.39466023     -9.72299111
  H     13.75010631      6.51257242    -13.24972701
  O     15.16065531      8.57422642     -6.73052982
  H     13.67049121      3.63219218     -8.98776452
  H     11.76393395      7.66466626     -9.08176776
  O     12.91327054     10.12762945     -7.75539324
  H     16.84748122      8.52510592    -13.04376516
  H     10.29765515      7.86042004     -8.62125346
  O     16.96521910      6.83376949     -5.43557646
  H     15.81078780      9.28181303    -12.18642174
  H     15.69974675     10.86097602     -8.84660152
  O     14.01289734      9.32895146    -11.75470550
  H     18.26833798      6.25853522     -6.74706589
  H     17.07696469     10.17824502     -8.88316789
  O     16.63498654      5.40196117    -11.85623438
  H     18.64900025      4.97663640     -7.52678142
  H     16.39962689      4.99348751     -5.65665513
  O     13.98115634      7.28024331    -13.78889873
  H     13.44239827      5.19228801     -7.05888978
  H     16.80930221      3.73466852     -6.45799366
  O     11.20382619      7.95411485     -8.34034735
  H     14.66394087      4.23990977     -6.88951584
  H     12.15738046      7.13854863     -6.91666110
  O     16.37474123     10.46239779     -8.28476410
  H     18.21959058      6.52641999     -9.00770633
  H     13.48247745      7.38786421     -6.17257417
  O     16.11200012      4.10576106     -5.90145156
  H     17.96755754      7.77291888     -9.91377182
  H     13.60448743     10.99932239     -9.09982462
  O     12.80098884      6.72654628     -6.32523661
  H     16.08967809      6.68539831     -9.07419223
  H     13.87100993     12.32178237     -9.85711453
  O     14.10547498     11.39742721     -9.83442390
  H     14.96370168      5.84553952     -8.34271067
  H     17.50950611      3.22236528     -8.59156866
  O     18.04132706      3.22147388     -7.77590632
  H     15.66025423      9.30747863     -7.12497267
  H     18.58137393      2.43619068     -7.80241330
          69
 Energy    -248.05178152466303     
  O     -2.61486050      2.62113375      2.81933984
  H     -2.61591474      1.65942192      2.94482447
  H      0.26769254      0.09427281      1.75359148
  O     -2.06736565      3.26803929      5.54082024
  H     -2.54185902      2.99059975      3.70726919
  H     -3.26019692     -1.56536521      2.74644351
  O      2.41218690     -2.27874218      0.24062959
  H     -2.44545264      3.86215084      6.18305924
  H     -3.63978826     -2.09040281      1.36568041
  O      0.24154867      0.79976301     -1.70758033
  H     -1.11897697      3.48807884      5.47788815
  H     -0.27328296      0.73800769      5.34160135
  O     -1.23704741     -1.38912060     -0.77231105
  H      2.09493020     -2.57520451      1.10199994
  H     -1.57159677      1.43232798      5.81197173
  O     -2.43607376     -0.06958388      3.32936245
  H      1.86077831     -2.72823498     -0.41613040
  H      1.57432092     -2.48653279      3.53372501
  O     -3.94912108     -0.97780990     -0.23460814
  H      1.11119769      0.65854696     -1.31650444
  H      0.33291785     -3.25454611      2.99270686
  O     -1.33679672      2.92277272     -1.24780335
  H     -0.28023572      0.01221534     -1.50071447
  H     -0.14278719     -2.71846590     -1.32760959
  O      2.70437850      0.34159122     -0.31683499
  H     -0.91106063     -1.16296557      0.11275890
  H      0.43600056     -3.59266255     -2.45149763
  O     -0.49404085     -2.17471229      5.86327099
  H     -2.19792389     -1.32629768     -0.72649401
  H      0.82183968      4.23908140      4.53048514
  O     -1.40067818     -3.70031695      3.55903962
  H     -1.70563860     -0.30896411      2.73666365
  H      1.03025668      2.82752758      5.14247897
  O     -0.30548523     -0.68225550      1.72349506
  H     -2.05206850      0.07860754      4.20343086
  H      0.86705133      2.19374227      1.65467271
  O     -3.41014806     -2.38621616      2.25245009
  H     -3.81024134     -0.03558780     -0.03092182
  H      1.95895125      1.18371997      1.14379165
  O     -1.16227361      0.56766757      5.68904447
  H     -4.77798287     -1.03254518     -0.70293376
  H      1.18851696     -1.91962295      5.51325725
  O      1.15516433     -2.81904029      2.72941183
  H     -0.75001821      2.17432925     -1.46147307
  H      2.70542701     -2.06100179      5.79836346
  O      0.56800054     -3.34454545     -1.54005884
  H     -1.44269291      3.42961134     -2.04796511
  H      1.48670172      1.16291296      3.69538410
  O      0.58091003      3.67061359      5.27587298
  H      3.57302070      0.46968548     -0.68812120
  H      1.78271160      0.13393363      4.82172186
  O      1.43573210      1.45396717      1.90961571
  H      2.62729309     -0.60839675     -0.11042336
  H      0.52832481      4.65650229      2.32213315
  O      2.07786085     -1.71857321      5.16733346
  H     -0.94231042     -2.63552635      5.14409644
  H      1.62136465      5.72715780      2.47448374
  O      1.40472825      1.00364634      4.64697311
  H     -0.88189620     -1.29176132      5.92906400
  H     -3.35049664      2.08619591      1.09791624
  O      1.03807062      5.16188848      2.97426059
  H     -1.68236312     -4.59708511      3.72410060
  H     -2.79160628      2.08953845     -0.33429157
  O     -3.44692930      1.66754967      0.23477962
  H     -2.11292818     -3.28171715      3.04576081
  H     -1.17325008      3.19364622      1.88049282
  O     -0.41418157      3.45037988      1.33605711
  H      0.21392513     -1.42792923      2.05161599
  H     -0.69283802      3.37830021      0.41511107
          69
 Energy    -248.05157880007550     
  O     17.01218153     10.03782340    -16.16668210
  H     16.17292308      9.73546667    -16.53573516
  H     15.29224326      4.33986503    -14.54623421
  O     14.76431972      4.58977355    -16.21718748
  H     16.78919995     10.45655743    -15.32609438
  H     14.27721708      8.99655651     -9.94894840
  O     12.86777887      7.83806141    -12.46870793
  H     15.23871013      5.18655765    -16.80956433
  H     13.62306802      7.92248866    -10.85152104
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  H     13.86600139      4.93117868    -16.13773377
  H     15.77255808      7.60998007    -13.89746555
  O     12.08030679      5.44287806    -15.49215987
  H     12.22569723      8.48435117    -12.77825520
  H     15.42438138      9.12267622    -13.88901801
  O     16.19472624      6.44948490    -17.79044034
  H     13.64698333      7.94419143    -13.04028547
  H     17.78773548      8.35433284    -16.01780301
  O     14.67085270     10.72809977    -10.23569446
  H     14.16761124      6.62014130     -8.98978887
  H     17.85437925      7.09984929    -15.10000277
  O     16.85053084      5.12111862     -9.53039139
  H     13.93301130      5.93915402     -7.62227622
  H     10.54723992     10.10312659    -13.79594496
  O     14.59514864      8.54655740    -16.76885829
  H     11.39219620      4.83806856    -15.76167223
  H     11.65685538      9.36991355    -14.58405076
  O     13.44803860      3.89010622    -10.49731839
  H     12.25984949      5.25362850    -14.55602882
  H     13.16509309     12.48683980    -12.85846458
  O     16.06699791      3.01957639    -11.31355199
  H     16.60684366      6.32467673    -18.64074781
  H     12.80594074     11.01354485    -13.13259918
  O     15.37153688      4.39150678    -13.58169807
  H     16.89642016      6.73908984    -17.17812146
  H     12.71642998      6.06272576    -12.63754993
  O     14.14951875      8.04245110    -10.04890245
  H     14.21958645     11.05339940    -11.02366390
  H     12.84966574      4.64230672    -12.00106917
  O     15.05183986      8.24088032    -14.02399743
  H     15.61014254     10.69883635    -10.45733004
  H     11.94779417      7.32991305    -15.75844900
  O     17.97633266      7.40437227    -16.00744570
  H     16.69160532      4.36595842    -10.11039467
  H     12.80685398      8.46302502    -16.34611505
  O     11.48165279      9.91256327    -13.79240076
  H     16.02291280      5.26231017     -9.05294334
  H     17.13173080      6.85109446    -12.52211675
  O     13.48457266     11.59262206    -12.75334604
  H     14.74276436      8.37128812    -15.82617468
  H     16.61028112      5.72483585    -13.46301882
  O     12.75275357      5.11700334    -12.83973903
  H     15.05230899      7.84224834    -17.24574974
  H     15.22559061     11.17229857    -13.32763151
  O     11.97901763      8.28681143    -15.87745573
  H     13.62639945      4.49105500     -9.76328786
  H     16.58773687     10.65779055    -12.77172748
  O     17.13668507      6.53650616    -13.43557511
  H     14.28777640      3.45261066    -10.68422706
  H     17.28186061      9.23528629    -11.01893033
  O     16.07474005     10.78840991    -13.58024217
  H     16.44261033      2.16101839    -11.49149309
  H     18.21546508     10.44950198    -10.81442366
  O     17.35601545     10.19661971    -11.14238305
  H     15.90111264      3.43502211    -12.17666735
  H     17.01800938      6.70099315    -10.34829079
  O     16.81514666      7.52152549    -10.82189241
  H     14.50090402      4.66877828    -13.26629668
  H     15.88517793      7.70484336    -10.63151614
          69
 Energy    -248.05151624929573     
  O     -5.49226217      3.98544563      1.84758056
  H     -6.40183538      4.04259175      2.12734771
  H      1.30633503      2.50628205      4.35635157
  O     -4.13381610     -1.98959235      0.20747731
  H     -4.95982489      4.42205316      2.53615511
  H     -3.31855102      5.11109499     -3.19557571
  O     -0.21610932      4.67626829     -1.59789558
  H     -4.82337447     -2.54901960     -0.13846109
  H     -3.39981852      4.97879743     -1.65533859
  O     -2.74505012      1.94478306     -1.74067912
  H     -3.65868460     -1.63761814     -0.56442815
  H     -0.05383465     -0.92488029     -0.03642808
  O      0.20268316     -0.66403124      4.41201361
  H     -1.12109972      4.72272785     -1.93251673
  H      0.71565464     -1.73645518     -1.10243595
  O      1.57830632      4.57381198      2.02501755
  H      0.03217351      3.74627649     -1.63591719
  H     -1.86836893      3.29790060      3.49236992
  O     -1.63338059      3.35038284      1.72748549
  H     -2.87983588      2.82125344     -2.12002982
  H     -2.16244219      2.36105892      4.68424280
  O     -2.39235953      0.57418495      4.69323253
  H     -3.20274067      1.94333525     -0.88583057
  H     -1.86395963      5.11265712      1.63401934
  O     -2.65541833     -0.88456512     -1.82632842
  H      0.72664939      0.15627124      4.36365919
  H     -1.21877082      6.44383667      1.22331349
  O     -3.13102913     -0.28708736      2.09139850
  H      0.66385998     -1.25379764      5.00197632
  H     -4.50699188      2.57526348      1.16907577
  O     -0.31620811     -0.37642143      1.67135248
  H      1.24524835      4.64103698      2.92828370
  H     -3.73084728      1.20329076      1.28752546
  O      1.54182466      1.64689743      3.98549347
  H      1.22395483      5.31976634      1.52567321
  H     -3.23709950      5.73095220      3.06389926
  O     -2.93804105      4.65495859     -2.44998273
  H     -0.80405636      2.91800923      1.50151668
  H     -3.28667491      4.60003471      4.11189496
  O      0.09764285     -1.01812926     -0.99153697
  H     -2.36188572      2.86426729      1.31890686
  H     -0.95319773      1.87141683     -1.51378108
  O     -1.96380171      3.28067620      4.45747907
  H     -2.82189498      0.25248425      3.88950440
  H      0.19732702      0.85314172     -1.45384073
  O     -2.01820304      6.07152373      1.61079592
  H     -1.55023573      0.10606538      4.73474005
  H     -0.33976260      3.94213939      4.71244616
  O     -3.83733562      2.01044292      0.76391031
  H     -1.71811935     -1.01799645     -1.64292605
  H      0.69956189      4.77796384      5.49200547
  O     -3.84028416      5.22367087      3.62342088
  H     -2.76687796      0.06782592     -1.94422205
  H     -4.70215240      5.03066178      0.39542742
  O      0.00772399      1.79772385     -1.40588047
  H     -2.18482568     -0.32428916      1.89898380
  H     -3.40628778      5.85867463      0.40190742
  O      0.58668331      4.23764654      4.71420514
  H     -3.55236306     -0.95740780      1.53239705
  H      1.21935321      3.01010575      1.38642720
  O     -4.10502579      5.52359759     -0.17733010
  H     -0.12870927     -0.63969017      2.58205827
  H      0.68984086      2.07507533      0.23490414
  O      0.86740229      2.12657873      1.18478715
  H      0.08148814      0.49759423      1.55294015
  H      0.90593605      7.23388999     -0.12403971
  O      0.43921236      6.51554161      0.29440066
  H      1.52345422      1.77109411      3.02999389
  H      0.23139363      5.87100200     -0.40654762
          69
 Energy    -248.05145421501152     
  O     14.12105598      8.88547410     -9.88079837
  H     14.92734294      8.44269019     -9.59255444
  H     13.92849423      7.97494205    -16.12474819
  O     15.65629264      5.09210847    -14.09132382
  H     14.32196996      9.83027125     -9.90395202
  H     18.00395752      6.82089952    -16.22497699
  O     14.60358927     11.65844491    -10.38979196
  H     15.66557155      6.01284605    -13.78099017
  H     19.42374549      7.32642054    -16.58166520
  O     17.01285440     11.12666684    -11.86919184
  H     16.38457059      4.65018796    -13.64086933
  H     15.34753747     12.04645341    -15.15921697
  O     11.37984674      9.90054924    -16.16953318
  H     14.36733752     12.45979005     -9.92929638
  H     16.22578988     10.83316777    -14.76044931
  O     15.97924017      5.20027493    -10.61880766
  H     14.14194393     11.68198261    -11.24565664
  H     16.38018436      7.92597010    -12.54339705
  O     12.56848010      7.66717838    -14.93221250
  H     16.74648668     11.44047502    -12.74256346
  H     14.85938820      8.06525329    -12.90398863
  O     13.54317174     11.49947600    -12.91737289
  H     16.29105613     11.35855769    -11.27301572
  H     18.33952937      5.10761643    -12.73688344
  O     14.07294759     12.43533331    -16.38996136
  H     11.95462976     10.01091043    -16.93718877
  H     18.48759744      3.58372185    -12.49689572
  O     16.49650424      6.01140799    -16.63859042
  H     11.65465404      9.07561609    -15.74712883
  H     13.90207034      4.88175568    -14.48858250
  O     16.71961917      9.17302909    -15.23442430
  H     16.66894472      4.84141147    -11.19518288
  H     12.73312776      4.12446750    -15.14093663
  O     14.62306769      8.18251224    -16.76684532
  H     15.17423147      5.16595634    -11.13472417
  H     17.59560338      9.46710961    -11.64753972
  O     18.75149330      7.35818531    -15.90625924
  H     12.57353529      6.70187293    -14.87283120
  H     17.46418966      8.25105305    -10.67131533
  O     15.85464711     11.66302200    -14.42835009
  H     12.71471174      8.00612711    -14.03821165
  H     19.01838865      6.90802723    -14.06921207
  O     15.69695544      7.66941778    -13.17785357
  H     12.82625897     11.80949122    -13.48419668
  H     18.74168403      7.34114879    -12.60106885
  O     17.85160935      4.29292497    -12.51378530
  H     14.36044059     11.54502282    -13.43671774
  H     16.83648031      7.27667552     -8.34737682
  O     12.95705300      4.94037694    -14.69999636
  H     13.23848421     12.52549417    -15.91446517
  H     16.34282568      6.63357125     -9.66464829
  O     17.76523980      8.51725486    -11.54853696
  H     13.91609090     11.75496430    -17.05627121
  H     13.46756879     10.11996394    -19.08275647
  O     19.05142180      6.60947799    -13.15287806
  H     15.80095411      6.64492948    -16.85556987
  H     13.90189560      9.47547389    -17.74665939
  O     16.54124501      7.48189989     -9.23074311
  H     16.20186481      5.56672162    -15.83301693
  H     11.47219362     11.37900846    -15.27019703
  O     13.43283251     10.23271881    -18.13645633
  H     16.36053251      8.65231394    -14.49891653
  H     10.83476480     12.72799737    -14.85970987
  O     11.64283664     12.22460798    -14.81661199
  H     17.53018497      8.72822082    -15.50735498
  H     13.43472639      8.68632283    -11.52055121
  O     13.26637218      8.76396227    -12.47165536
  H     15.34726862      8.60570510    -16.28315000
  H     13.29220195      9.70899613    -12.67493412
          69
 Energy    -248.05145380689689     
  O     10.61302349     10.52254602    -12.26726781
  H     11.41606939     10.99584144    -12.51884243
  H     19.52180585      6.39878842    -16.27956537
  O     16.94649734      9.20128550    -10.38084692
  H     10.23250671     10.19833461    -13.09370940
  H     15.50118934     13.41587346    -14.97113474
  O     18.53583531      9.85841496    -16.49183977
  H     16.72090951      8.30319466    -10.11313966
  H     16.09688603     12.06040510    -14.53014663
  O     12.61128159      9.18856693    -14.99301296
  H     16.13520842      9.55230751    -10.77513527
  H     16.55647073      9.47733268    -14.10753471
  O     15.75196269      6.61633356     -9.87184579
  H     17.82185613      9.70311881    -17.12403999
  H     16.86867313      8.10424617    -13.46839292
  O     12.97620271      6.83323773    -13.55740327
  H     18.89841782      8.98581476    -16.29758076
  H     10.03774851      8.46726875     -9.91966214
  O     14.63828742      9.70286547    -11.83305781
  H     11.64815299      9.22210450    -15.05061780
  H     10.64430557      9.16055280    -11.16111638
  O     16.27206424      9.16195343    -18.09247969
  H     12.83265735      8.36792923    -14.52957035
  H     16.42870407      5.79648241    -11.46034806
  O     15.00013502      5.23490755    -14.45028054
  H     14.85006838      6.85807721    -10.14193896
  H     17.53398849      6.04059951    -12.50062540
  O     17.52991824     11.05643937    -14.26090122
  H     15.66688592      6.09968602     -9.07406813
  H     10.24248248      7.29419655    -12.24263537
  O     16.34006045      7.08903512    -16.18549219
  H     13.16742585      6.97337578    -12.62270257
  H     11.13254599      6.75930026    -13.37685924
  O     19.07313105      7.11569573    -15.83848247
  H     13.63497307      6.21097753    -13.89896417
  H     19.65107952     10.41234214    -11.50310355
  O     15.26780615     12.51671927    -14.75365038
  H     15.09601694      9.26029704    -12.56478797
  H     18.25133886      9.76485236    -11.36914017
  O     16.15995022      8.62969949    -13.86379115
  H     14.08569495     10.38921272    -12.22440918
  H     18.93705116      7.34176189    -13.99126816
  O     10.64784848      8.33703873    -10.64075334
  H     16.06431107      9.23661967    -19.01942529
  H     18.91266232      8.28324192    -12.74484766
  O     16.76495556      5.48807308    -12.30952996
  H     15.59104745      9.66628986    -17.60916512
  H     14.69945308     11.23451322    -16.07304136
  O     10.21629249      6.98184022    -13.15489477
  H     15.62694374      5.23207973    -13.71033772
  H     13.80257233      9.97533169    -16.13581473
  O     18.93476050     10.03820783    -12.00908207
  H     15.45037095      5.66389561    -15.18596210
  H     12.40913224      7.73935968    -10.63727004
  O     18.62417156      7.42648055    -13.08109295
  H     18.06894497     10.82354909    -13.49512083
  H     13.74783009      8.36344837    -11.11514704
  O     14.46529795     10.48152086    -16.62610151
  H     17.97156221     10.72265057    -15.05882895
  H     12.91486297     10.63417162    -13.93422560
  O     13.33560167      7.53705096    -10.81506882
  H     16.23431683      7.67842229    -16.94254902
  H     13.76101542     11.92271535    -13.78031158
  O     13.07705963     11.39415533    -13.35240241
  H     16.12028055      7.61595825    -15.40154421
  H      9.03289934      9.13539815    -15.22542499
  O      9.80983978      9.18347914    -14.67593103
  H     18.12120183      6.99248968    -15.99819050
  H      9.85991374      8.34476358    -14.18117123
          69
 Energy    -248.05139806887539     
  O     -1.38022191      3.78813671      2.70664485
  H     -0.91822529      3.07241430      3.15940933
  H      1.07874020      1.52327242      0.84466818
  O     -2.76434859      5.53578389     -0.80218010
  H     -1.86798439      3.40886079      1.96139456
  H     -0.02619701      3.14865249     -3.34811019
  O      4.05948582      6.59795354      1.34575215
  H     -1.87421002      5.64435754     -1.17023439
  H      0.36902430      4.27110307     -2.37272669
  O      1.54046395      7.49301477      2.29711611
  H     -2.85075417      6.21310418     -0.12108659
  H      0.62883950      8.55448413     -0.97515569
  O     -0.12913601      5.78112064     -1.53066478
  H      4.95388160      6.92610555      1.38445791
  H      0.98351823      9.02738924     -2.40862907
  O      0.45034978      5.19440120      1.08252089
  H      3.80444266      6.58701941      0.40572535
  H     -1.69476429      1.12236729     -3.13717242
  O     -2.67051353      7.52978155      1.23396801
  H      1.37809921      7.28550443      3.22698106
  H     -1.13694236      0.76376379     -1.74858939
  O     -0.06894752      1.81697112     -0.54865350
  H      2.45352314      7.25926343      2.08749903
  H      2.29451822      4.08248502      3.54522479
  O     -1.73185466      6.39543022      3.51060679
  H      0.11345189      5.57227797     -0.61348651
  H      1.26231782      3.32581118      4.39336178
  O     -2.50481709      3.00933766      0.34992490
  H      0.22075576      6.65621472     -1.73036312
  H     -3.98282300      3.04201437     -2.37007541
  O     -0.17652842      8.76716224      0.52050904
  H     -0.17014550      4.72782148      1.65720700
  H     -3.47475635      4.49254064     -2.23565036
  O      1.61609392      1.48786122      1.64917445
  H      0.70684680      6.01413495      1.52612034
  H     -2.32921224      3.12468022     -3.84271682
  O      0.64306590      3.40242563     -2.69979085
  H     -2.34904150      7.14208030      2.06765450
  H     -1.79004736      2.69163667     -5.22484127
  O      1.08457374      8.30167342     -1.79952988
  H     -3.40899389      8.08861592      1.46447077
  H      0.06729625      0.99151888      4.37178842
  O     -1.82678188      0.53162860     -2.38446069
  H      0.28100341      2.35215623     -1.27709787
  H      0.71633590      1.60825386      3.10753929
  O      1.79998129      4.12631018      4.37390314
  H     -0.85984106      2.26472586     -0.22142942
  H      1.16731877      5.69589468      4.72620419
  O     -3.65177196      3.79369857     -2.87784538
  H     -1.72184658      5.44359021      3.32892123
  H      1.00349826      6.85742704      5.73601964
  O     -1.60309759      2.65601084     -4.29058762
  H     -0.94307926      6.56494935      4.03617798
  H      3.48088010      4.77950319      1.65113337
  O      0.20261216      1.81426442      3.91113271
  H     -3.14114441      2.42889067     -0.08414356
  H      2.02730033      4.34138269      1.41906699
  O      0.82675176      6.60272506      4.83471957
  H     -2.61963094      3.88968842     -0.03605696
  H     -4.81839515      0.77281919     -1.23751313
  O      2.88469472      4.02945455      1.74837630
  H      0.42269659      8.45276878      1.21250295
  H     -3.35819152      1.00890365     -1.69716299
  O     -4.13828793      1.43715969     -1.29916687
  H     -1.04265364      8.39209092      0.71779803
  H      2.88919064      5.70441764     -1.65543892
  O      3.17997618      6.50845348     -1.22555328
  H      2.23449594      2.22724049      1.60227537
  H      2.52699842      7.18403086     -1.45813790
          69
 Energy    -248.05134755073914     
  O     14.28288171      6.69580198     -8.56788865
  H     13.59930547      6.19836030     -9.03191277
  H     15.65267820      8.99163891    -12.71900059
  O     14.80522067      6.17002822    -16.31622421
  H     15.12866955      6.35225323     -8.88752626
  H     14.34850429      7.12284590    -12.38067314
  O     18.00558428      7.82829338    -14.11773403
  H     14.47604080      5.68131896    -17.06601242
  H     13.61443358      8.47261767    -12.07941459
  O     15.54947638     11.90237357    -13.57556341
  H     14.04218411      6.63005451    -15.92427714
  H     13.28271460      5.20105592    -10.95612999
  O     10.40134579      6.89542958    -13.98516538
  H     18.82422345      7.62933264    -13.64994030
  H     12.24566253      4.33298852    -10.20926631
  O     18.30587551      5.00426140    -11.88477555
  H     17.52700611      8.48050399    -13.58275632
  H     21.10938468      7.07119590    -12.63494004
  O     16.99711893      8.90034926    -10.02494984
  H     15.50282413     11.68596154    -14.51671987
  H     20.06164428      7.60838609    -11.63188057
  O     12.76549801     11.61000919    -12.81292065
  H     14.63825482     11.91676139    -13.25880230
  H     15.29566803      5.32885356    -12.70393097
  O     15.30598990     10.98137402    -16.26727648
  H     10.53915283      7.05526595    -13.03591520
  H     15.41542859      5.62669841    -11.18654875
  O     12.74439279     10.37830402    -15.22360237
  H      9.46414625      6.98850331    -14.13274391
  H     15.91297901      7.73342960    -16.45038088
  O     12.82832924      7.55229069    -15.05933660
  H     17.76292940      4.94254885    -12.67933415
  H     17.11526994      8.31467870    -15.68283828
  O     16.46147897      9.51669942    -12.62082235
  H     19.01701146      5.62179807    -12.09644576
  H     16.99239075      6.30261934    -14.08714994
  O     14.18141178      8.01372476    -12.71386344
  H     16.21577300      9.16959029     -9.52959910
  H     15.90618033      5.56362957    -14.88790870
  O     12.55037227      5.23088176    -10.31721520
  H     16.85046980      9.17608121    -10.94359595
  H     20.09591350      8.47320579     -9.24692937
  O     20.17288958      7.10766363    -12.45827474
  H     12.68822928     11.15097197    -13.66970609
  H     18.78559975      8.69090787    -10.01810253
  O     14.78030200      5.43415375    -11.89263863
  H     12.17342109     12.35707937    -12.85163569
  H     11.41435854      6.62321327    -10.93111644
  O     16.45404254      8.52558895    -16.35514174
  H     15.73123943     10.10650025    -16.30712141
  H     11.41336415      8.15579342    -11.12019517
  O     16.45381574      5.49723502    -14.09640114
  H     15.55851184     11.44192756    -17.06307893
  H     17.31672844      5.64876696    -10.51260810
  O     19.72176074      8.45928552    -10.12454411
  H     13.57055416     10.60454842    -15.67029949
  H     16.83998573      7.03983816    -10.00130527
  O     10.92457442      7.35071275    -11.33362417
  H     12.66915320      9.41762885    -15.27707798
  H     14.35474065      9.79095391     -7.90098659
  O     16.65328240      6.09226882     -9.96321287
  H     13.32919028      7.74584511    -14.25180394
  H     14.36112951      8.42546789     -8.63023256
  O     14.49205358      9.38416244     -8.75278621
  H     11.94516455      7.27169794    -14.77804617
  H     12.72080986     10.32175009    -11.48578149
  O     12.69075871      9.52209913    -10.94257062
  H     16.25597491     10.41513038    -12.91333471
  H     13.29297505      9.62638779    -10.19584650
          69
 Energy    -248.05127455072022     
  O     11.98290487      6.65028640    -11.68683409
  H     12.48175523      7.08179242    -10.97822352
  H     14.32273435      5.96610767    -14.93404880
  O     17.45219289      9.86850607    -15.18745573
  H     12.50840296      5.88389116    -11.94386531
  H     16.47104616      5.56307026    -13.90757394
  O     17.60021275      8.37823154    -12.83354350
  H     16.60049602      9.63088562    -15.58370705
  H     17.97586662      5.60384476    -14.23340281
  O     16.82760242     12.34462525    -14.00555673
  H     17.35223227     10.75592668    -14.82068706
  H     14.52521622      8.11198079    -11.70273499
  O     13.73047930      8.00830299    -10.01345965
  H     17.64084681      8.88069068    -13.65729135
  H     15.78389516      8.37426883    -12.59677908
  O     14.99329381      9.29892209    -16.37171269
  H     17.61374534      7.43851744    -13.06258939
  H     14.05385754     11.31066442     -9.97469459
  O     14.26500364     11.66553905    -15.17700092
  H     17.24016078     13.20358807    -13.96555962
  H     12.96543606     10.75896241    -10.89699835
  O     16.25038791      4.97441996    -17.24347402
  H     16.47863916     12.16113872    -13.11611202
  H     14.12981192      4.63627257    -13.26351968
  O     11.16987317      8.51019814    -13.48233420
  H     13.56204625      8.94652060     -9.84782725
  H     13.51919849      3.56962810    -12.33097820
  O     16.14105097      5.38981633    -10.98724764
  H     14.51729088      7.75498415     -9.51522257
  H     13.80409654      9.76336026    -12.77128298
  O     13.48345359      7.54315662    -14.82205063
  H     14.42957156      8.65785006    -15.91886221
  H     12.31966553      9.99090884    -13.06395717
  O     14.86586970      5.17248928    -14.81635178
  H     14.67181064     10.17549434    -16.11464844
  H     16.25695700      6.55505108     -9.70476235
  O     17.33954124      5.71319875    -13.51215087
  H     15.08831742     12.04398445    -14.84617628
  H     16.59266310      6.88690079     -8.23089761
  O     14.82093308      8.32955513    -12.59601908
  H     13.77452607     11.37634280    -14.39767505
  H     17.98832763      5.27426931    -16.39270267
  O     13.27109577     10.75386996     -9.97969728
  H     16.27071876      5.89349959    -17.56693694
  H     18.92274521      6.48147129    -16.19199305
  O     13.76412325      4.49152484    -12.37557401
  H     16.16674664      4.41497957    -18.01110764
  H     16.79805436      8.91247231     -9.85351539
  O     13.12735961     10.45887149    -12.81619827
  H     11.39443963      7.83265381    -12.81741982
  H     17.42601729      9.22456251    -11.21893692
  O     16.22613035      7.25705652     -9.02917467
  H     10.22474045      8.47689665    -13.60099321
  H     17.37585512      7.82901301    -17.76776847
  O     18.73395313      5.59188443    -15.86848166
  H     15.29349996      5.06969270    -11.31643689
  H     15.89400155      8.20944386    -17.57700227
  O     17.03164178      9.64126355    -10.43862842
  H     16.71634406      5.43480360    -11.76213590
  H     14.80154547     11.31508466    -11.94202096
  O     16.47709826      7.56199867    -17.99612985
  H     12.58313894      7.80506771    -14.60203392
  H     16.11339853     10.97282759    -11.17164295
  O     15.63916065     11.67994380    -11.64089593
  H     14.00864900      7.74837469    -14.02945391
  H     18.55104914      8.90920787    -16.23441115
  O     18.99573915      8.29417031    -16.84064084
  H     15.29330777      4.99525297    -15.66394494
  H     19.76850674      8.74578331    -17.17097779
          69
 Energy    -248.05119287994495     
  O     11.33008444     10.23783842    -14.93501948
  H     11.22574608      9.76055348    -14.10346522
  H     18.71268520      7.83187045    -14.31378627
  O     16.01161763      6.83139717    -14.09646060
  H     11.74339145     11.08594272    -14.73148112
  H     15.60057862     12.03399899    -16.05281532
  O     16.60666643     11.16771068    -11.32367697
  H     16.84395787      7.18230605    -13.75331294
  H     14.65131096     11.78260433    -17.22771597
  O     16.93438004     10.90351566    -15.37181376
  H     15.45594797      6.56047690    -13.35414169
  H     14.20400874      9.18329778    -15.35225687
  O     12.98877018      6.23185198    -16.66059134
  H     15.77376344     11.29117140    -11.80022554
  H     15.20829798      8.39898711    -14.44985186
  O     14.18953551      6.29907632    -12.09696322
  H     16.42483129     10.49093914    -10.66120755
  H     10.12391224      8.28817481    -12.38471167
  O     14.18425992     11.06215382    -12.69716438
  H     16.21574644     10.32502861    -15.06919600
  H     11.34024427      7.72604048    -13.15684078
  O     16.92952927      9.10553488    -17.48029015
  H     17.57094803     10.95945836    -14.65082867
  H     18.03494940      7.40087056    -11.65301874
  O     15.90611168      5.06772042    -10.36331120
  H     13.95568666      6.29474737    -16.76379544
  H     17.09295209      7.82921443    -10.49683843
  O     18.88682004      7.54720145    -16.12135268
  H     12.69347997      5.53688585    -17.24264449
  H     12.40300822      6.27343401    -14.84134497
  O     15.66218774      6.59492028    -16.81038258
  H     13.97793981      7.16430644    -11.72532491
  H     12.83208198      6.17828405    -13.35144101
  O     18.43403340      8.01394267    -13.40443080
  H     14.69160269      5.80081189    -11.43556739
  H     19.36433074     11.31949148    -12.85464037
  O     14.76277310     12.32441606    -16.43836589
  H     13.69010379     11.74094004    -13.16936259
  H     17.91448275     10.98478624    -12.42068761
  O     14.83822345      9.27228939    -14.63115639
  H     14.41309646     10.39455432    -13.36488317
  H     15.61796552      8.83711308     -8.78574382
  O     11.01550469      8.49535774    -12.65293978
  H     16.21577515      9.47087347    -18.01644879
  H     14.87670430      8.90551384    -10.13556201
  O     17.65945437      7.11406217    -10.81186518
  H     17.06447081      9.76142969    -16.77951112
  H     14.13141691     10.38901312    -19.35898418
  O     12.08905418      6.38143935    -13.93725632
  H     16.61569330      5.71926837    -10.50054373
  H     13.93304716      9.84015040    -17.92629001
  O     18.59347044     10.81464360    -13.09866587
  H     16.33868156      4.24325670    -10.15924868
  H     13.66409031      9.70566259    -11.64103655
  O     15.75019050      8.98224385     -9.72022363
  H     18.30940186      8.08694299    -16.67987328
  H     12.50166437      8.71986480    -11.52712033
  O     14.55339985     10.31619752    -18.50683727
  H     18.81992422      6.66226926    -16.47769837
  H     13.49761876     12.57394342    -15.25021414
  O     13.39011276      8.89240651    -11.19043100
  H     16.05546182      7.42173128    -17.11240870
  H     12.50084367     13.55716120    -14.59545351
  O     12.82268655     12.66076312    -14.55315624
  H     15.86375079      6.54498354    -15.86310843
  H     12.27647893      9.42480467    -16.16511529
  O     12.95277475      9.02470094    -16.73385335
  H     18.52828602      8.96635602    -13.27738640
  H     12.82502752      8.06846749    -16.74625661
          69
 Energy    -248.05110421715955     
  O     -3.47119165     -1.66258831      0.91438015
  H     -3.48641306     -0.89410835      0.32000659
  H     -0.39868211     -1.93258793     -1.23999938
  O     -1.57234069      3.68860980     -1.95775184
  H     -4.25377226     -2.17323015      0.72224063
  H     -0.94440201      3.58189759      3.37350347
  O     -3.34384404      0.70648768     -0.52774018
  H     -1.20894942      2.79262273     -1.93635625
  H     -1.15647021      2.99995567      4.79354187
  O      1.38682299      0.32653652      4.86589462
  H     -2.52528805      3.57318886     -2.03752839
  H     -3.29885569      7.39754600      1.12656546
  O      1.85525480      5.17863316      1.27270120
  H     -3.38583978      1.23258541      0.28543098
  H     -3.04967490      6.17332798      2.03657782
  O     -0.90009324      3.15686259      1.67984015
  H     -2.44382414      0.77826853     -0.88112202
  H     -2.55759718      2.59058226      1.74260872
  O     -1.28289847      1.28460269      5.30407285
  H      1.97153962     -0.07877932      5.50050187
  H     -4.04408915      2.93954496      1.46551324
  O     -2.58578723     -0.03194660      3.09291454
  H      1.83781432      1.12490309      4.53740293
  H     -2.44679850      4.92092096      3.96915925
  O      0.12570716     -0.55018704      2.52486912
  H      1.03904223      5.34911562      0.78413798
  H     -3.97288291      4.92887398      3.82322513
  O      2.58682703      2.54086900      3.87525171
  H      1.64935243      5.28181034      2.20991843
  H     -0.16081783      1.13129242     -0.82447422
  O     -4.36464942      2.91305293     -1.91404630
  H     -0.26904388      2.50300199      1.35512068
  H     -0.60961830      0.13357298     -1.91974367
  O     -0.30001334     -1.61640543     -2.15434921
  H     -0.82789590      3.93201609      1.10745600
  H      0.48733233      4.72092504      4.28110776
  O     -1.03488660      3.82807969      4.30850886
  H     -1.81502879      0.75388884      4.69856745
  H      1.47815503      5.80126640      4.77215998
  O     -3.01820601      6.48567938      1.11530013
  H     -0.38925432      0.92109985      5.26171378
  H     -4.73771287      3.95502886     -0.34699104
  O     -3.45989444      2.23707264      1.78230439
  H     -2.94864370     -0.72829040      2.53295651
  H     -4.24742668      5.07184069      0.60661263
  O     -3.19065079      5.44602440      3.63722172
  H     -2.96344007      0.79229575      2.75088913
  H      0.72694217      0.61145350      1.28630214
  O     -0.78895067      1.01039398     -1.55124941
  H      0.62502827     -0.37327520      3.33172147
  H      1.72119124      1.72123581      0.76729127
  O      1.36057643      5.11643229      4.11871866
  H     -0.79847441     -0.34192684      2.72335861
  H     -1.66717584     -2.24206802      0.62453595
  O     -4.80813342      4.28855179      0.55674117
  H      2.23908870      3.42367243      4.04874628
  H     -0.29142156     -1.84166183      1.18048441
  O      0.85781641      1.31239221      0.63193911
  H      2.89420566      2.55906281      2.96082384
  H      3.97939692      2.91043064      0.62641356
  O     -0.71917078     -2.33291629      0.46826006
  H     -4.10069163      2.06609789     -1.52007209
  H      2.72636109      3.69185724      1.09412916
  O      3.16008551      2.81839113      1.10452061
  H     -4.89791171      2.70406759     -2.67730967
  H     -1.44985837      5.84272038      0.32893000
  O     -0.67803862      5.34845559      0.02603893
  H      0.21599745     -2.27732198     -2.60741816
  H     -0.94644396      4.83658144     -0.75419494
          69
 Energy    -248.05109819839566     
  O     17.49411558     10.08432013    -17.96351297
  H     17.46656893      9.70107727    -17.07120082
  H     17.16825359      5.79265844    -15.59270639
  O     16.05434425      5.90271716    -12.50517982
  H     16.60739341     10.41689725    -18.15806270
  H     18.37948772      7.88665531    -11.56091676
  O     16.45161531     13.60620513    -12.52892231
  H     16.14429292      5.77355012    -13.46708102
  H     17.79879567      6.56328075    -12.08086850
  O     21.48304293      9.65226583    -14.08700299
  H     15.76124891      5.06996525    -12.14521327
  H     20.63056818      9.49748404    -17.26099370
  O     14.39324828      7.08995811    -16.59185745
  H     16.94246133     13.38465610    -13.33048900
  H     20.44161348     10.97684802    -16.87011475
  O     14.17191872     11.01287040    -11.30429259
  H     15.51794071     13.53183328    -12.76187409
  H     18.05407626      9.40981985    -14.81467487
  O     15.11675116      8.53477701    -12.25280846
  H     22.37616917      9.88682524    -13.85067810
  H     17.91331819      8.07410965    -15.62135937
  O     17.64056988     12.54020595    -14.87437225
  H     21.38027891      9.84410075    -15.03654767
  H     14.25430089     11.54215070    -18.64316074
  O     20.36436341      7.00017312    -14.06963311
  H     14.29763816      7.43270377    -17.47755035
  H     14.89644477     11.53458134    -17.24550958
  O     14.89619790      9.25186765    -14.90849345
  H     14.41625917      7.86807038    -16.01371202
  H     17.32592227     10.40989628    -10.87086806
  O     18.76293461      6.56450433    -16.19542905
  H     14.36423505     10.09709131    -11.54559443
  H     16.69616865      9.23220825    -11.65817525
  O     16.31804242      5.61479961    -15.17108417
  H     14.94258423     11.32696077    -10.81554522
  H     16.66407518     12.64577445    -11.07180284
  O     18.62983738      7.02477882    -11.91404613
  H     14.95741356      8.77654301    -13.17699580
  H     16.86695859     12.58308627     -9.53902648
  O     20.98115295     10.19663108    -16.69629792
  H     15.33904594      7.59496918    -12.25263645
  H     19.79354162     10.20839847    -13.61701539
  O     17.53094890      8.94990186    -15.48314976
  H     18.07647223     11.83710148    -14.36748271
  H     18.47502523     10.14643363    -12.75843390
  O     14.99147747     11.19272443    -18.14952518
  H     18.14766487     12.62852986    -15.68859547
  H     13.81577126     12.20116508    -12.52101349
  O     17.53765843      9.59761095    -11.34658848
  H     19.81046544      6.96015461    -13.27469334
  H     12.92685796     13.38530446    -12.96798592
  O     16.65829868     12.05021952    -10.30143342
  H     20.84149150      7.83490971    -14.02630445
  H     18.80988964      8.89507516    -18.38076474
  O     18.86278329     10.46117225    -13.58700578
  H     14.78093812     10.19078403    -15.09205508
  H     19.75290050      8.05991637    -19.27599282
  O     13.73007706     12.91657449    -13.17727777
  H     15.83174169      9.06135647    -15.08832409
  H     14.44581575     12.36343153    -14.77404057
  O     19.58464925      8.30916820    -18.37018411
  H     19.41226501      6.62747031    -15.47331981
  H     15.89633184     12.18364519    -15.30023528
  O     14.96700754     11.99913264    -15.50088851
  H     19.14201151      6.98812992    -16.97174092
  H     18.48599360     11.54114810    -17.62869784
  O     19.06365435     12.26201641    -17.32571907
  H     15.63913590      6.02390971    -15.72427558
  H     19.15431064     12.86904036    -18.05649676
          69
 Ord_Energy   -248.050385    
 O    1.76817250       4.75018740       4.27452898    
 H    1.30938542       4.86629820       3.42548800    
 H    2.25219393       5.55644941       4.43592787    
 O  -0.439115912       3.60197425      -1.76587200    
 H  -0.679996729       4.36216545      -1.22000861    
 H  -0.257604778       2.85488367      -1.17671955    
 O   -5.83759737       2.15014005       2.25714374    
 H   -6.77659512       2.04487538       2.37972569    
 H   -5.41296101       1.33644438       2.58803487    
 O  -0.510638714      0.463300705       2.19891143    
 H   0.208966985      0.166288614       2.76624250    
 H  -0.828167081       1.31299603       2.54378414    
 O    2.78458714       2.28229690       3.17571139    
 H    2.75958872       2.50046945       2.23455429    
 H    2.54604864       3.08838630       3.64740491    
 O   -1.32906401       2.93534756       2.94901943    
 H   -2.23825955       3.25916314       2.98357320    
 H  -0.783225179       3.59115934       2.49630761    
 O   -3.00593328      0.206728145       5.47845316    
 H   -3.31159186     -0.354174107       6.18811131    
 H   -2.03782773      0.250487536       5.56496906    
 O   0.240098178       1.25719798     -0.326377183    
 H    6.78747008E-03  0.992527246      0.575279474    
 H  -0.215191677      0.636592865     -0.907435775    
 O  -0.330548763      0.532784700       5.81291056    
 H   0.385516495      0.239495143       5.23845434    
 H  -0.243995830       1.49458659       5.87142134    
 O   -2.73993063     -0.303683937      0.815667212    
 H   -2.41565537     -0.521732688      -6.55489415E-02
 H   -1.95447135     -0.130973175       1.35764468    
 O   -1.07101107       5.84458685     -0.163987532    
 H   -1.92555487       5.51712418      0.176303774    
 H   -1.22379124       6.71627522     -0.517164171    
 O   -4.46219492      -1.43635897E-02   3.04947829    
 H   -3.90877652       2.75734309E-02   3.83961654    
 H   -3.89840174     -0.285777003       2.31400251    
 O  -0.367914140       3.31379342       5.53194571    
 H  -0.748437285       3.13020921       4.65808010    
 H   0.402654588       3.86183715       5.35250187    
 O   0.523881197       4.71120977       1.80583954    
 H    1.13946378       4.14018679       1.32421768    
 H    3.47160585E-02   5.22566652       1.15179837    
 O   -3.92884588       3.93138504       3.34537292    
 H   -3.77858877       3.73505759       4.28187132    
 H   -4.64809561       3.36126518       3.04427075    
 O    2.26699090       2.97161746      0.478900850    
 H    1.67300987       2.26187015      0.194665253    
 H    2.49395990       3.45670295     -0.326373845    
 O   -3.30340791       4.76422453      0.776304126    
 H   -3.55725002       4.72552013       1.70752597    
 H   -3.49061275       3.88162804      0.429916829    
 O   -4.01194477       2.12823653       9.19451416E-02
 H   -3.53179955       1.33358192      0.362092704    
 H   -4.77399588       2.18168664      0.682127118    
 O   -1.55245054     -0.386000961      -1.78970075    
 H   -1.53562760      -1.00518858      -2.51394582    
 H   -2.00382733      0.415072173      -2.11299419    
 O    1.66479623      -7.95536116E-02   3.87495255    
 H    2.34009051     -0.751577139       3.90609097    
 H    2.11175680      0.758763671       3.65936279    
 O   -2.70712709       1.98607385      -2.40618253    
 H   -3.28686690       2.12872243      -1.64513159    
 H   -2.01137877       2.65307975      -2.34766936    
 O    2.30021882       4.22997713      -1.98829782    
 H    2.65952158       4.19575930      -2.87151313    
 H    1.35216784       4.04680681      -2.07814074    
 O   -3.20481133       3.06860876       5.85350800    
 H   -3.23068261       2.10654950       5.77408171    
 H   -2.27583766       3.29156590       5.99143362    
          69
 Energy    -248.05038378829141     
  O     14.80439865     12.17326344    -13.84143205
  H     15.47834864     12.30727424    -13.16372085
  H     13.70418515      6.50373716    -16.52774124
  O     14.82224208      6.09340363    -13.60781297
  H     15.28900010     12.01440489    -14.65961529
  H     16.86253222      4.86828936    -11.62372942
  O     16.40895818      7.75506949     -9.59477310
  H     14.54818673      5.87481220    -14.51046314
  H     16.31739192      5.43718160    -12.93298225
  O     18.70497595      8.61741710    -13.67760231
  H     14.04662444      6.36606068    -13.10150470
  H     18.70872889     10.44016461    -13.98121857
  O     12.87748242      8.20636166    -16.82118732
  H     15.59426234      7.83447673     -9.07711687
  H     17.88166664     11.41864040    -14.85636759
  O     13.81306482      7.89482224     -8.62092417
  H     16.34987480      8.45498565    -10.26107862
  H     15.56762690      7.70917052    -13.80970937
  O     12.72604003      7.03666801    -12.05409666
  H     17.74315547      8.60481790    -13.79632063
  H     15.71669832      8.86116030    -14.83159802
  O     15.95332181      9.75819840    -11.44350466
  H     18.86333925      8.24764485    -12.79627968
  H     13.27142906     11.50288814    -13.35981741
  O     16.84491653      6.63509917    -17.13135494
  H     12.13911998      8.30444552    -17.41583973
  H     11.79277760     11.85607640    -13.08341932
  O     13.28868344      5.30851797     -9.89061862
  H     12.53461499      8.35219002    -15.92019623
  H     16.24548911      6.00868734     -9.77798951
  O     18.33194344      6.11398725    -14.93614206
  H     13.47863721      8.53681483     -9.26200670
  H     16.60189856      4.65307778     -9.13127051
  O     14.26051214      5.76046425    -16.26408227
  H     13.48181579      7.03806109     -8.91311663
  H     12.12281306      9.49221665    -13.92367170
  O     17.13677399      5.13944733    -12.50598223
  H     12.78176427      6.38040108    -11.34914135
  H     12.12394157      7.98209503    -13.59631211
  O     18.46687545     11.37077725    -14.09112282
  H     12.91752632      7.89163275    -11.64072300
  H     18.12251430      7.46353801    -10.57394707
  O     15.92340589      8.60097078    -13.92820323
  H     15.92224733      9.39618289    -12.34186218
  H     18.24600805      6.47809589    -11.74146082
  O     12.41855151     11.13651370    -13.06592745
  H     16.35232404     10.63369932    -11.50582916
  H     16.54353873     12.10873989    -16.92120264
  O     16.08132677      5.04983157     -9.82631707
  H     17.32287026      6.30625073    -17.88812759
  H     16.13093952     10.70695995    -16.41963658
  O     12.01223610      8.61627573    -14.31451655
  H     17.38370640      6.41846926    -16.34923671
  H     14.21763151      9.64224445    -11.02833092
  O     18.70086100      7.20927625    -11.30047361
  H     14.24113730      5.12520818     -9.90810227
  H     12.84478502     10.13047532    -11.52122337
  O     16.43868356     11.58245230    -16.13213800
  H     12.86300436      4.51668179     -9.57017973
  H     17.45324502     12.96460067    -11.52813867
  O     13.26399010      9.52042050    -10.90327719
  H     18.03541918      5.61000276    -14.16929564
  H     17.60990594     11.99398776    -12.72556086
  O     17.00503534     12.28003723    -12.01623286
  H     18.66000831      6.95318819    -14.58612933
  H     14.59060009      8.84518999    -16.80106272
  O     15.52404908      9.07153299    -16.68989664
  H     15.13210849      5.93739933    -16.64094814
  H     16.03822936      8.28129620    -16.90505263
          69
 Energy    -248.05027549600618     
  O     -0.97476195      5.19933699      3.82080815
  H     -0.36957460      4.81815372      4.47415883
  H     -3.09436962     -2.74727693      4.10829512
  O     -1.16157234      3.25626745      1.88095528
  H     -1.61442726      5.70721196      4.31480414
  H     -1.34886419      0.03499441      2.66887555
  O      0.85755801      3.91634249      5.52400193
  H     -1.11753377      4.02374790      2.46826544
  H     -0.76757559     -1.41529692      2.50363472
  O     -0.44639935     -3.63946242      0.52859941
  H     -0.25743295      3.02490665      1.62889863
  H     -3.72433406      0.67990777      2.71946639
  O     -0.06451225     -0.25701932     -1.75802583
  H      1.39941966      4.28653280      6.21592883
  H     -3.90790979      0.21664459      1.26386958
  O     -2.47165010     -0.31968874     -0.15874423
  H      1.46514385      3.62578390      4.81794290
  H      0.11006678      2.14942958      5.61452082
  O     -2.19339024      1.34163531      3.56781737
  H     -0.31442277     -3.55998018      1.48295547
  H      0.61771720      0.86624820      4.92407844
  O      0.35765164      2.57423047     -1.68881613
  H      0.29150404     -3.17986985      0.11126862
  H      0.47667849     -2.88507271      3.85539876
  O      1.62640068     -2.08180757     -0.71171362
  H     -0.93285268     -0.29429305     -1.33996963
  H     -1.05200572     -3.13549044      3.83797609
  O     -0.62452488     -1.38431723      6.37030341
  H      0.16552229      0.67830951     -1.81412264
  H     -3.40364807     -3.73865980     -0.61847129
  O     -3.91571939     -2.46686257      2.63859094
  H     -2.81194901     -1.21432093     -0.28721974
  H     -2.10747313     -3.31643625      0.11430729
  O     -2.54908704     -2.93334704      4.89473507
  H     -1.88364464     -0.38085278      0.61191399
  H      2.51436783      1.97148463      3.80499435
  O     -0.88097901     -0.56076981      2.06895444
  H     -1.89632976      2.05846464      2.98628892
  H      2.17606005      2.93812421      2.65091391
  O     -4.33629511      0.22218787      2.12567024
  H     -1.58630120      1.33007860      4.31857820
  H      0.76545492     -0.28710592      1.59363890
  O     -0.12622212      1.23467595      5.42288754
  H     -0.56648759      2.61520981     -1.38012166
  H      1.88443421     -0.86249161      0.69930634
  O     -0.27625010     -3.02928874      3.27007539
  H      0.42922380      3.17767136     -2.42342767
  H      2.13498677     -2.93075128      5.86411179
  O     -3.03367425     -3.06526020     -0.05408732
  H      1.03757122     -1.44602742     -1.15919878
  H      0.85808065     -2.05688159      5.76554443
  O      2.43120383      2.90829755      3.58147654
  H      2.22754200     -2.41412042     -1.37284130
  H      2.07520276     -0.03484390      3.13999604
  O      1.71172772     -0.20915904      1.38563668
  H     -0.60765002     -0.43924583      6.16955367
  H      2.12049183     -0.71942303      4.52649086
  O      1.63731708     -2.37382906      5.27184035
  H     -1.38595731     -1.76554528      5.91592315
  H     -2.39412028      1.56241571     -0.52342507
  O      2.12309703      0.14138143      4.09128786
  H     -3.67104424     -2.77221500      1.75890084
  H     -1.95391539      2.82166854      0.26527453
  O     -2.12662557      2.48371787     -0.62550575
  H     -4.17968839     -1.54112120      2.53242882
  H      1.57908057      1.57366078      1.05072013
  O      1.39443814      2.51894351      0.95124097
  H     -3.02763601     -3.58125581      5.40549054
  H      1.17643993      2.64734292      0.01988132
          69
 Energy    -248.05016731907926     
  O     -7.95806316      0.25686326      5.60044475
  H     -8.41789369      0.69828064      6.33061357
  H    -10.97193976      1.68324954      3.76348054
  O     -4.57829834      1.88783334      4.64498306
  H     -7.70455125      0.96776147      4.98516613
  H     -4.96943321      2.75249957     -0.14480479
  O     -6.85526398     -1.07716857      3.15837557
  H     -4.66738378      1.35609299      5.44328858
  H     -5.19794633      1.91353384      1.13609431
  O     -6.56996159      2.88047976      7.80369036
  H     -5.48313113      2.07523560      4.35051736
  H    -10.06735637     -0.28213352      3.19904245
  O    -12.52098779      0.10447884      5.93226948
  H     -7.62891035     -1.01662821      2.58358301
  H     -9.57814870     -0.02048549      4.64279575
  O     -7.28152854      2.27727589      3.94772679
  H     -7.17559199     -0.87047319      4.04110973
  H    -11.62433599      3.94351152      6.71921731
  O     -5.45373118      0.37688848      6.89288006
  H     -7.48627334      2.57523940      7.83760347
  H    -12.25247377      2.88196743      7.64380113
  O     -9.18354346      1.89723776      7.43231721
  H     -6.04336677      2.09616243      7.61522778
  H    -13.41084663      2.97230875      5.73774158
  O    -11.72170239      1.14091950      8.31208065
  H    -11.83801094     -0.08779802      5.27723897
  H    -14.66277115      2.82726455      4.83624866
  O     -7.79939946      5.03796075      4.28647688
  H    -13.07451266      0.79580619      5.54751088
  H     -8.66705397      2.79943093      1.40160544
  O     -5.87859121      4.97051591      2.39645253
  H     -7.46790869      3.20852460      4.11455151
  H     -7.28276873      2.26140753      0.88888402
  O    -11.29932064      2.58778971      3.66679508
  H     -7.51430034      2.10509500      3.02719836
  H     -9.44727043     -0.86323926      0.76204364
  O     -5.52524986      2.67684719      0.62606613
  H     -6.30755694      0.18427315      6.47592138
  H     -8.82972821      0.40749318      1.39738077
  O    -10.36316215     -0.02204311      4.08169853
  H     -5.15393191     -0.43571260      7.29379117
  H     -9.29050860      4.44834022      5.29362692
  O    -12.46725879      3.62946840      7.07159911
  H     -9.99280428      1.60243811      7.86654841
  H    -10.43562749      3.45438507      4.99793655
  O    -13.77909971      2.49678264      4.97123792
  H     -9.43135670      2.62626306      6.84320295
  H     -5.44652154     -0.06888563      2.43887097
  O     -8.13664574      2.00051495      1.25778390
  H    -12.10941578      0.67152147      9.04552377
  H     -4.46641328      0.97272866      2.99950549
  O     -9.18051277     -0.47978614      1.59329527
  H    -12.01582621      0.69093741      7.49941578
  H     -4.11245724      3.70286283      4.61873142
  O     -9.97872128      3.92084775      5.71383895
  H     -7.17503963      5.11611751      3.54389400
  H     -4.72007858      4.94134233      5.29235204
  O     -4.78508530      0.58466012      2.17416393
  H     -7.28748324      5.22629145      5.08594596
  H    -10.31062552      3.66797135      2.54406352
  O     -4.16013958      4.66678226      4.55712326
  H     -5.72610163      4.25718741      1.76865883
  H     -9.15159343      4.67272397      2.70860882
  O     -9.62346030      4.14600372      2.05700818
  H     -5.15967751      4.92664573      3.04630186
  H     -6.29692689      4.42178490      7.02952649
  O     -6.19299320      5.26425314      6.55369371
  H    -12.21815110      2.59068057      3.96298730
  H     -6.08520032      5.94189979      7.21625925
          69
 Energy    -248.04997961223171     
  O     15.56200885     11.31744942    -10.84224377
  H     16.29349283     10.80371523    -10.48207021
  H     14.54468447     10.43773667    -16.35655563
  O     13.83774846      7.62435856    -15.16822067
  H     15.78542106     11.48483340    -11.76895504
  H     18.98609685      9.80021035    -13.14291759
  O     15.48191632      5.12724793    -11.72427541
  H     14.22891151      6.75135084    -15.03799381
  H     19.28473716      8.38194839    -12.58188262
  O     19.56805337      6.54870595    -13.02761887
  H     13.08114945      7.68757666    -14.56924646
  H     15.05213257      8.45453498    -14.09117200
  O     13.93182329     11.84192290    -15.19788412
  H     15.70364044      6.02530430    -11.42937787
  H     15.88955817      9.65971982    -13.54782220
  O     12.85703157      5.18304623    -10.64445409
  H     14.60776883      4.94012725    -11.36367475
  H     12.54613830     11.36721309     -9.98089719
  O     11.88287034      7.84538826    -13.22457223
  H     19.10823379      5.83196718    -12.55826576
  H     13.89172448     10.96316524    -10.63132947
  O     15.90123819      7.72458388    -11.01116467
  H     20.45094987      6.23459514    -13.20832483
  H     13.83728523      4.22921162    -14.94897618
  O     17.62266849      9.22448334    -16.55773684
  H     13.32467252     11.40866968    -14.57044852
  H     12.85292345      3.63371422    -15.96487165
  O     11.38790433      5.16198119    -13.15536031
  H     13.45759559     12.57926046    -15.57259239
  H     12.03296415      9.70696175    -13.45940076
  O     17.47995804      6.94950434    -14.88111116
  H     12.86500928      6.15201735    -10.57090110
  H     12.51500370     10.74919164    -12.43769756
  O     14.89897014      9.65642347    -16.79617055
  H     12.45698571      4.85343830     -9.84305192
  H     18.33303057      3.57274531    -11.67215195
  O     19.10473294      9.29549416    -12.32963305
  H     12.33268205      7.90177828    -12.37166893
  H     17.22548795      4.62890127    -11.77663580
  O     15.78981867      8.70128674    -13.51753033
  H     11.54970517      6.93727447    -13.28698993
  H     15.31776363      5.18387780    -13.57797892
  O     12.94574343     10.73479765    -10.57181882
  H     15.87214700      8.08673814    -11.91290064
  H     16.10216130      5.70558868    -14.80323377
  O     12.97018099      3.80367567    -15.03281615
  H     16.52464742      8.26922885    -10.51922216
  H     18.30558521     10.29088663    -15.40706334
  O     12.34735206     10.61653909    -13.37814124
  H     16.68777067      9.40367061    -16.74162541
  H     19.31338754     11.42040207    -15.08504112
  O     18.18447078      4.50031700    -11.84001778
  H     17.65595322      8.33424090    -16.18744175
  H     14.12700671      7.88749344    -10.73570915
  O     15.28247750      5.26606055    -14.54073410
  H     11.83399209      4.99983425    -12.31670392
  H     12.96320490      8.87625987    -10.52601700
  O     18.64066501     10.86816207    -14.69624659
  H     11.85977177      4.63837738    -13.81818389
  H     18.33195606      9.73055331     -9.31598203
  O     13.16175935      7.94352660    -10.67684908
  H     18.26012244      6.76411215    -14.34611391
  H     18.24985462      9.54305359    -10.84972603
  O     17.71814227      9.61422871    -10.03562124
  H     16.96712646      7.61335651    -14.39313160
  H     15.47559696     11.71943407    -14.19669888
  O     16.15648212     11.48188269    -13.55296886
  H     14.44930255      8.90437622    -16.38739033
  H     17.00951738     11.42243705    -14.00188537
          69
 Energy    -248.04989717046965     
  O     20.14785391      7.99095910    -11.16935226
  H     19.32177615      8.14572898    -10.69294217
  H     17.52744517     12.37013296    -14.10219659
  O     17.38524990     10.91119738    -11.27988519
  H     20.00451266      7.19172122    -11.69103670
  H     12.67023815      7.34628087    -16.02543146
  O     12.51486757      7.31632396    -12.91598561
  H     17.96745060     10.93538133    -12.05331463
  H     12.89436214      7.71099705    -14.53969191
  O     16.85027162      6.47953284    -12.37818150
  H     17.50517842     10.05509540    -10.84765124
  H     15.92936859     10.30906647    -12.17693336
  O     14.41727160      6.13058008    -11.11835155
  H     11.92829762      7.84420985    -12.35683273
  H     14.77395603     10.70428828    -13.14698743
  O     19.50288678      5.91160197    -13.05568264
  H     13.14333598      6.89260627    -12.32075904
  H     13.58224577      9.70776880    -15.90886563
  O     14.06528089     12.22340228    -13.87134494
  H     17.73308871      6.16332857    -12.60551403
  H     13.72193307     11.16021868    -15.37777776
  O     17.81589169      9.38268360    -15.62419180
  H     16.50368253      6.94180382    -13.15630932
  H     14.63064340      7.56517926     -9.82708309
  O     17.48472434      8.32414795    -10.31361543
  H     15.28929267      6.16310080    -11.54457724
  H     14.37256576      9.05193719     -9.52093631
  O     16.34076696     11.44192981    -16.88289970
  H     14.30907010      5.24051246    -10.79018465
  H     20.83613553      9.17962650    -12.24534076
  O     20.06827332      7.88199201    -14.82970227
  H     19.69824994      6.56300292    -13.75354705
  H     22.05133586     10.01670306    -12.71351653
  O     16.75880794     12.85978912    -14.42721859
  H     19.99595435      5.12386297    -13.26820441
  H     16.50660819     13.53649618    -12.51617204
  O     13.19122548      7.89911166    -15.44967234
  H     14.95947351     12.56288802    -14.02643069
  H     16.70581355     12.61957465    -11.30077979
  O     15.16967858      9.96471437    -12.66667338
  H     13.75281674     12.60259045    -13.04128114
  H     13.21138053     13.91583440    -10.84778551
  O     13.88434521     10.59279810    -16.14378021
  H     17.39019260     10.05071098    -16.17504081
  H     14.57527628     13.30308077    -11.24572301
  O     14.93074350      8.30255924     -9.28056784
  H     17.10699054      8.83914639    -15.24979008
  H     18.46010935     10.46092513    -14.31034928
  O     21.16145967      9.76979509    -12.94930575
  H     16.67445180      8.35631986     -9.78410575
  H     19.68676794     10.77253889    -13.41689883
  O     16.28280967     13.44405161    -11.58401494
  H     17.29238800      7.72125312    -11.04444375
  H     10.53441118      8.85206046    -10.38789201
  O     13.61783031     13.12809244    -11.19897805
  H     15.44651714     11.10756181    -16.68624081
  H     11.84819882      9.47732474    -10.88151110
  O     18.79868832     11.07587870    -13.64342789
  H     16.32349747     11.76153416    -17.78103708
  H     13.96603032     10.05668796    -11.28903016
  O     11.09788495      8.92559914    -11.15410015
  H     19.33880942      8.35366522    -15.25299751
  H     13.39972416     11.31753468    -10.61633126
  O     13.40180740     10.35501601    -10.55973453
  H     20.55434179      8.54129494    -14.31918831
  H     15.55125212      8.67448462    -13.75907263
  O     15.77566241      7.98115750    -14.40280244
  H     16.63594423     12.54587454    -15.33257532
  H     14.96378450      7.80587131    -14.89232913
          69
 Energy    -248.04981695122748     
  O     21.09124527     11.21580265    -17.75594423
  H     21.40118973     12.13933198    -17.72113416
  H     17.92988620     11.40591104    -18.24161830
  O     16.06891832     17.71762671    -14.47992981
  H     21.80810255     10.69658532    -18.10943022
  H     19.70668135     17.12573223    -18.08948574
  O     22.39049849     15.04944297    -15.14122258
  H     15.52646691     18.48482650    -14.31937651
  H     19.99322646     18.57709250    -18.54063083
  O     14.38281244     13.14730536    -14.18712998
  H     16.31389514     17.74116757    -15.42347124
  H     20.26558142     17.35869691    -14.72871484
  O     17.00419159     11.28739782    -16.62161302
  H     23.21914213     15.23284889    -14.70710536
  H     20.64312166     17.70355639    -16.18109800
  O     17.99025311     12.48037827    -10.83012355
  H     21.92627204     15.90212665    -15.22891106
  H     17.16515678     10.65937193    -13.39164771
  O     15.49339120     10.60523224    -14.32247547
  H     13.46741859     13.41148793    -14.14774554
  H     18.66410231     10.79457421    -13.71420798
  O     21.81470509     13.80452393    -17.61351554
  H     14.89612909     13.85244680    -13.74902472
  H     16.64670107     15.13400306    -19.25331639
  O     19.59632380     15.37332307    -18.29394110
  H     16.47213766     10.85431379    -15.94475809
  H     15.89225829     14.97702387    -17.93178862
  O     15.84055843     15.15207966    -13.24945557
  H     16.66475868     12.19381745    -16.67498005
  H     18.66183937     16.37297927    -13.15510152
  O     20.17576256     13.58975750    -14.19532628
  H     18.24671446     11.99582368    -10.05015908
  H     17.83287872     17.44808472    -13.92094639
  O     18.52421016     11.66751547    -18.95691786
  H     18.02750841     11.84365325    -11.56386352
  H     16.59794401     17.06228225    -17.64958837
  O     19.68271701     18.05579018    -17.80450011
  H     14.82956405      9.96151624    -14.08705189
  H     17.80500254     17.96532587    -17.28921180
  O     21.00323142     17.35946529    -15.35599329
  H     15.08356027     11.48021832    -14.22458291
  H     18.27962581     14.05341619    -11.65738658
  O     18.03448545     10.75798551    -12.98513963
  H     22.13049930     14.21621234    -16.80033291
  H     19.10023532     14.31648028    -12.92974003
  O     16.08632367     15.61386646    -18.63383589
  H     21.10683540     14.37601933    -17.94041744
  H     20.15557887     11.08125935    -16.14511849
  O     18.71641053     17.07296654    -13.82140417
  H     19.13370769     15.21631839    -17.45617701
  H     18.66019463     11.25168274    -15.81933989
  O     16.90159504     17.74855956    -17.03708282
  H     19.07237401     14.96409556    -18.99369794
  H     19.02069629     14.40218656    -15.31945374
  O     18.47175367     14.73109414    -12.32074662
  H     16.72865004     14.98368940    -12.90809484
  H     18.42258958     15.81433388    -15.29801555
  O     19.53693725     11.19509846    -15.41293444
  H     15.85543578     16.02335313    -13.66271085
  H     18.14933766     13.16683617    -19.75294057
  O     18.42673543     14.99264389    -15.80198413
  H     21.01184499     13.97612212    -14.48386660
  H     17.98962432     13.92080227    -21.09178032
  O     17.99244772     14.04397832    -20.14644978
  H     20.07537460     12.71147548    -14.58731045
  H     15.40648402     13.72997343    -15.72256914
  O     16.00172965     13.84763473    -16.46984324
  H     19.41539753     11.47508551    -18.64205447
  H     16.80064621     14.29342398    -16.14650217
          69
 Energy    -248.04975659653985     
  O     15.42933115     12.00027974    -16.01595970
  H     15.02577274     12.86325536    -16.05410149
  H     19.02764303      8.48469490    -17.11279427
  O     13.48988057      5.38456376    -15.81836610
  H     14.80034522     11.41525402    -15.55633143
  H     16.57445365      8.38866852    -14.51862337
  O     18.53944171      7.45997140    -11.98979384
  H     12.78109652      4.77193922    -15.99389712
  H     15.66193554      8.02301241    -15.74162012
  O     19.14634292      6.63629703    -17.76446547
  H     14.29013716      5.02593974    -16.24448444
  H     13.75337311      9.89401180    -13.91752938
  O     16.56946173      6.19605936    -19.03613603
  H     17.93208030      8.17319903    -12.24622444
  H     13.68696859      9.51544160    -15.41239699
  O     14.57023873      8.12802084     -9.69314337
  H     19.24607391      7.48191678    -12.64656740
  H     16.18410805      3.42926980     -9.82880322
  O     14.43303057      6.20625680    -13.28263811
  H     19.94075347      6.18674846    -18.04604324
  H     15.32566756      4.59312909    -10.38235563
  O     16.82181771      9.30452685    -12.96692701
  H     18.81692670      6.15033482    -16.99230999
  H     14.21021887      8.16662428    -17.42917841
  O     17.97553037      5.63598692    -15.39836966
  H     17.46023075      6.45473105    -18.77477625
  H     13.70083046      7.15110699    -16.34943462
  O     13.84120711      5.50413449    -10.62356841
  H     16.05485345      7.00925362    -19.10973774
  H     19.47213395      6.76702447    -14.71738907
  O     15.77953920      4.57518538    -16.95638212
  H     14.42101920      8.56184073     -8.85723720
  H     19.79987230      8.23641977    -14.96158716
  O     18.69366422      9.20000886    -16.55838801
  H     15.47669932      7.77261894     -9.66457521
  H     17.58744228      6.00701525    -12.51313942
  O     16.55409478      7.95529074    -15.38266490
  H     14.07506345      5.88495395    -14.11829902
  H     16.85134962      4.73227755    -12.03713167
  O     13.74715021     10.26769218    -14.80688248
  H     15.34727443      5.89949615    -13.21651981
  H     17.68278678      7.16769046    -10.34596934
  O     16.22976751      4.23305796    -10.33883349
  H     15.88929166      9.36004269    -12.72601856
  H     16.87372805      5.98792928     -9.77389668
  O     13.98810897      8.06120867    -16.49480958
  H     17.10626250     10.10803555    -13.42627278
  H     16.17581351     11.03725030    -17.42937048
  O     20.00482062      7.49749904    -14.38103187
  H     17.43090770      6.44133558    -15.45255430
  H     17.40962226     10.14316267    -17.68925735
  O     17.07567691      5.24429488    -12.82354873
  H     17.77292013      5.25888673    -14.53109389
  H     14.19607921      8.73324729    -11.43054950
  O     17.02286422      6.93619484     -9.67898593
  H     13.92328777      6.36924495    -10.20354731
  H     14.19236757      7.95306630    -12.76136854
  O     16.58718174     10.45537755    -18.08237224
  H     13.87486436      5.67865601    -11.57454001
  H     18.29638495     10.77233102    -15.29669007
  O     14.15020590      8.84652660    -12.38838517
  H     15.97849113      5.05832506    -17.77329961
  H     17.01499514     11.61183400    -15.11104113
  O     17.77695467     11.24775433    -14.63992459
  H     16.55159742      4.69899735    -16.39567269
  H     14.54242302      8.85385453    -19.87953876
  O     14.96181191      8.54891014    -19.07924238
  H     17.88970858      8.83848532    -16.14751597
  H     15.55161562      9.26380304    -18.77845013
          69
 Energy    -248.04970167639985     
  O     15.64245019      8.87922416    -16.58192222
  H     15.14069150      8.14578982    -16.95563355
  H     16.48784994      4.72379062    -15.36749391
  O     15.17633777      5.06273500    -12.34364044
  H     16.03470071      8.52796592    -15.76631581
  H     16.64994809      5.40366901    -11.49169470
  O     17.85110846     13.46472973    -12.14024310
  H     15.31074013      4.98200771    -13.29840611
  H     17.61801991      4.95661810    -10.37341126
  O     19.46086801      7.89473962    -14.21216990
  H     14.36913469      5.57861698    -12.23613518
  H     19.11766363      9.73851178    -16.79948545
  O     14.10392146      6.53098665    -17.01760193
  H     17.75164165     12.92941365    -12.93922752
  H     20.12007368      8.81016663    -17.50203132
  O     17.21630866     10.95332381     -9.48717502
  H     17.01498588     13.38018850    -11.66484397
  H     17.64098407      7.72263420    -14.29285603
  O     15.08460121      8.72400025    -12.35190627
  H     19.69838284      8.28940250    -15.06219541
  H     16.39768759      6.80282321    -14.53401415
  O     17.47683939     11.45969063    -14.10376703
  H     19.47286982      8.59802833    -13.54834039
  H     14.19870877      9.85459224    -15.73806725
  O     19.15085451      5.25181364    -13.39772764
  H     13.54689853      6.19297136    -17.71308883
  H     13.81419146     10.68398361    -14.49836180
  O     13.03111691      6.93523066    -12.22421724
  H     13.50919046      6.83640201    -16.30567465
  H     16.42980487      8.53129906    -11.19046400
  O     18.07893493      3.96770294    -15.55702578
  H     17.21530687     10.02129432     -9.74151721
  H     17.43521883      7.45393346    -10.72972815
  O     15.71092277      5.22176515    -15.07014046
  H     18.09157596     11.28920781     -9.71703276
  H     12.65872932      7.23038609    -14.09086259
  O     17.49434523      5.61460952    -11.05327490
  H     15.62642812      8.34609747    -13.06283496
  H     12.76564945      8.46515034    -15.01972431
  O     19.86708011      9.14567697    -16.64459835
  H     14.93461228      9.65282917    -12.56931717
  H     20.37902196     12.51059230    -10.37043349
  O     16.67699105      7.70825464    -14.33625677
  H     17.59856054     11.25277013    -15.03593215
  H     19.06203947     12.63127077    -11.17708451
  O     13.44450613     10.15422729    -15.21516641
  H     18.00481055     10.83746798    -13.58330163
  H     18.40707547      9.32740969    -11.77880860
  O     17.26108571      8.40280105    -10.70913554
  H     18.64226820      5.35837277    -12.58613270
  H     19.36231911     10.54935002    -11.79288344
  O     12.60650055      7.50915250    -15.01101908
  H     19.40421106      6.14373216    -13.67419849
  H     16.05018541     12.05135266    -10.20508993
  O     19.61790009     12.01773607    -10.66349336
  H     13.72135169      7.62132435    -12.20189594
  H     14.99924568     13.17110049    -10.01805606
  O     18.98233583      9.85867487    -12.34872730
  H     12.40882478      7.14747099    -11.53317783
  H     15.76832344     11.43102895    -13.50398856
  O     15.49604082     12.69688112    -10.67930289
  H     18.51836041      4.37179023    -14.78786096
  H     14.95283071     11.88462027    -12.26938884
  O     14.89399219     11.37946922    -13.08962669
  H     18.52842095      3.14204801    -15.71326424
  H     17.31334055     11.44729740    -17.49448148
  O     17.57015003     10.76280733    -16.88134422
  H     15.20281660      5.51244859    -15.83550234
  H     16.85231358     10.10552588    -16.87473621
          69
 Energy    -248.04967183525793     
  O     15.43329778     10.82999551    -16.02498945
  H     15.32113677     11.77729779    -16.02122323
  H     17.68038424      7.47264681    -16.15639600
  O     13.24511389      4.28097706    -16.10749934
  H     16.23142626     10.64043482    -15.50133157
  H     15.40274812      6.63793275    -16.18289305
  O     17.77088163      6.43555532    -12.01108418
  H     12.45450487      3.90209974    -16.48402072
  H     16.48863264      5.71918390    -15.53128329
  O     19.40447550      6.40217936    -18.39962887
  H     13.35608601      5.16047041    -16.51182900
  H     13.27589815      8.69959490    -14.59448040
  O     16.97624624      5.38472108    -19.02520161
  H     18.49444743      6.31611862    -12.63546568
  H     14.01306794      9.60265734    -15.62358438
  O     13.57758494      7.49328813    -10.08506866
  H     17.19763006      7.11592610    -12.40087329
  H     15.02581494      2.86210797     -9.41683683
  O     13.64149623      5.13858478    -13.45487247
  H     19.99304600      6.27292660    -19.13743977
  H     14.25971473      3.94697351    -10.21435965
  O     16.12083105      8.13229303    -13.34758007
  H     18.55876648      5.98980169    -18.65321370
  H     13.53582817      7.54162209    -16.59120350
  O     17.41591007      4.16610154    -14.99256914
  H     16.29320596      6.02722170    -19.24343488
  H     14.11149663      7.00107095    -17.95352857
  O     12.83454294      4.80215666    -10.77210785
  H     16.55980627      4.71323021    -18.46604467
  H     19.25767494      6.75285849    -14.96934728
  O     15.83677462      3.58682978    -17.23065558
  H     14.48008075      7.15523186     -9.94644883
  H     20.42954893      5.93379897    -14.40005225
  O     18.55283915      7.87185462    -16.30974928
  H     13.36550021      8.02693023     -9.32380046
  H     16.70446969      4.99371331    -12.32677877
  O     16.20353194      6.63393297    -15.64614123
  H     13.45689139      4.78299153    -14.33217044
  H     15.86969604      3.84458041    -11.70876371
  O     13.33796995      8.91937547    -15.53255365
  H     14.52648109      4.83890238    -13.20499239
  H     16.75937452      6.43050012    -10.37161370
  O     15.14688828      3.60408604    -10.00234099
  H     15.19692685      8.17489816    -13.07422389
  H     15.84145681      5.38766600     -9.70250728
  O     13.78629718      6.74270615    -17.08253762
  H     16.12615386      7.61509691    -14.16846765
  H     14.81987119      7.84698917    -20.29348219
  O     19.48997511      6.08059597    -14.31128889
  H     16.97992853      4.01065459    -14.14182898
  H     15.62913313      8.17350268    -19.01444429
  O     16.14758205      4.23231979    -12.54723419
  H     18.22149466      4.66092699    -14.80515841
  H     13.43670446      6.93106608    -13.14098024
  O     16.03034594      6.33352630     -9.74694951
  H     12.91137967      5.71494551    -10.46749213
  H     13.35667752      7.86617547    -11.91145082
  O     15.06326269      7.50311097    -19.43834509
  H     12.92648628      4.84147645    -11.73416566
  H     18.16353786      9.43193853    -15.21076954
  O     13.41388962      7.86325985    -12.87497372
  H     14.95810386      3.68960371    -16.84954570
  H     17.16437112      9.46831724    -14.04169453
  O     17.64850579     10.03493567    -14.66105701
  H     16.45302222      3.58996627    -16.48563241
  H     17.38596243      8.93743478    -17.64102703
  O     16.60637099      9.27415596    -18.09211289
  H     18.95331481      7.40376088    -17.06051514
  H     16.15824207      9.85007327    -17.45890271
          69
 Energy    -248.04964636225725     
  O     -6.71539398      7.65201970    -16.40493780
  H     -6.26770929      8.46448828    -16.66088409
  H     -6.96418429      9.98761054    -12.88539530
  O     -8.93414517      8.46437383    -14.82209004
  H     -7.53514213      7.91369481    -15.96577216
  H     -5.56442037     12.76691568    -14.71800987
  O     -5.87420162     14.16736655    -13.52472965
  H     -8.86214300      8.06843226    -13.93347454
  H     -5.90730730     11.26640886    -14.62997052
  O     -8.51544679      7.54696521    -12.32416365
  H     -9.86294619      8.59199811    -14.99240270
  H     -6.99914123     10.69541249    -11.05118991
  O     -2.71356296     11.85205229    -14.07597104
  H     -4.97380903     14.27618872    -13.17039681
  H     -6.33965399      9.34998570    -10.65005948
  O     -1.99621175      6.24534874    -12.82185979
  H     -6.24593024     15.04186763    -13.60374257
  H     -5.18299792     10.75042687    -16.47769324
  O     -3.16248084      8.29432884    -15.97788358
  H     -8.10188344      8.22136397    -11.77036357
  H     -5.15693314     10.39198391    -17.97827073
  O     -0.68443170      8.57020971    -12.41888456
  H     -7.95654007      6.76023560    -12.29393530
  H     -4.57189182      7.20332008    -12.38315801
  O     -4.49617215      8.62900851    -13.51734761
  H     -2.77498189     11.28845604    -13.29410654
  H     -5.32108486      5.96159651    -11.85226224
  O     -2.92220156      5.63367849    -15.45184976
  H     -3.58766262     11.83519924    -14.49030440
  H     -3.37233603     13.70275461    -11.68532893
  O     -1.07782901      9.75871044    -15.02251298
  H     -2.81368458      6.19547792    -12.30769032
  H     -2.93535373     13.50781516    -13.14289540
  O     -6.85223052     10.04217155    -13.84578057
  H     -2.22722929      5.94251459    -13.70823775
  H     -5.51726349     12.42659662    -10.86993264
  O     -5.34748732     11.90719114    -15.09880325
  H     -2.37563207      8.80874960    -15.73741364
  H     -6.38383917     12.97441943    -12.01294189
  O     -7.09514536      9.73326839    -11.11747944
  H     -3.75655417      8.86241543    -16.48126684
  H     -3.46540186     12.20531067     -9.43479734
  O     -5.10042869     10.01332917    -17.10378734
  H     -1.11827432      7.70899650    -12.56280178
  H     -3.37497462     11.53961842    -10.82559916
  O     -4.54437118      6.51328352    -11.70127923
  H      0.16309288      8.38795135    -12.02221474
  H     -4.80575080      5.43561253    -15.09892644
  O     -3.33391837     14.15015395    -12.54005111
  H     -4.05279944      8.45722426    -14.35653106
  H     -6.07733884      6.21773095    -15.50822809
  O     -6.40796781     12.39956045    -11.24073122
  H     -5.36088443      9.01305225    -13.70969601
  H     -2.08456963      9.62626567    -11.89233889
  O     -3.67041461     12.33673635    -10.35797197
  H     -2.51004769      5.15514588    -16.16696284
  H     -3.55789553      9.60293445    -12.37804145
  O     -5.75424195      5.49796214    -14.94653651
  H     -2.98900508      6.56132587    -15.73811931
  H     -4.70263968      7.81776642    -10.39443598
  O     -2.93152622     10.08617261    -11.81455903
  H     -1.50213148     10.60075278    -14.80859477
  H     -4.04092198      9.19268235    -10.37518117
  O     -4.76369309      8.69311030     -9.98403443
  H     -0.81510707      9.36856492    -14.18000933
  H     -7.22080873      4.33884456    -12.42782014
  O     -6.87982334      5.22364313    -12.52485191
  H     -7.60140756      9.58897189    -14.24976715
  H     -6.50953889      5.28691864    -13.42576141
          69
 Energy    -248.04954848236952     
  O     13.57862844      9.36667141    -17.24958862
  H     12.85907119      9.55883340    -17.84453431
  H     16.05504355      3.05826936    -13.73349892
  O     16.20305054      6.33000892    -12.37054739
  H     13.23628125      9.49291794    -16.34606496
  H     20.34962071      8.51414249    -12.44571777
  O     18.25760448     12.02438439    -12.73750400
  H     16.10570879      5.45303493    -12.75745735
  H     21.22246755      7.47528811    -11.70068028
  O     20.29774941      8.98412193    -15.95541470
  H     16.39596509      6.92884601    -13.10866398
  H     17.50576641      9.33317617    -17.75912213
  O     13.62529730      5.47253014    -14.71791974
  H     18.49164747     12.94856697    -12.79009558
  H     18.90614177      8.87254327    -17.28956097
  O     16.27177826     11.77938049    -10.81084085
  H     17.61232324     11.94065849    -12.01699263
  H     16.15161966      7.61950144    -15.23962335
  O     14.16310323      8.02598316    -11.56664599
  H     21.16547206      8.82341883    -16.32071081
  H     16.75402041      8.87423732    -14.54064917
  O     16.54084070     10.67100888    -14.52205836
  H     20.01385424      8.15257331    -15.53803873
  H     13.21030918     10.08470216    -14.04509467
  O     17.79067960      4.74909629    -15.76253312
  H     14.03862148      5.99322215    -15.42179084
  H     12.41763690      8.78193959    -14.26157900
  O     16.08678600      9.29455714     -9.87154572
  H     14.31183908      4.87059839    -14.40997064
  H     18.83036271      7.49002566    -10.98170913
  O     19.28433657      6.82302599    -14.58348784
  H     16.26340599     10.88164457    -10.42649141
  H     17.40776554      6.91921375    -11.09808626
  O     15.93493020      3.98557570    -13.91929202
  H     16.00360624     12.37439590    -10.11592745
  H     11.24499245      6.79374082    -13.14641503
  O     20.36574364      7.60361361    -12.09943409
  H     14.84742517      7.37864647    -11.79250510
  H     12.62669819      6.52829592    -13.79128612
  O     18.18707381      8.65632768    -17.89133522
  H     13.36506538      7.73542640    -12.02451669
  H     19.58684431     10.71890420    -13.08162629
  O     16.76083176      7.90925059    -14.54788742
  H     15.74931985     10.64293705    -13.96537069
  H     20.21732355      9.88125468    -14.23012487
  O     12.70171636      9.59310676    -14.70149767
  H     17.20137414     11.17074201    -14.02994412
  H     17.54706227      7.08307736    -18.07576872
  O     17.99195551      7.42143475    -10.51260989
  H     17.56971032      5.15291703    -16.61025694
  H     17.19956691      5.92444083    -19.04199336
  O     12.10258817      7.18276313    -13.29396234
  H     18.44551816      5.33389995    -15.35850460
  H     14.92326184     11.10127457    -12.05317890
  O     20.24085018     10.03872881    -13.27817061
  H     16.83078424      8.68483916     -9.99281915
  H     14.38762456      9.67311673    -12.30802598
  O     17.11318982      6.21134011    -18.13732539
  H     15.31629843      8.84550771    -10.23842694
  H     16.34459625     10.66608256    -16.36154686
  O     14.45933649     10.55771821    -12.69899213
  H     18.39464915      7.21355885    -14.57240160
  H     15.29486192     10.19612079    -17.37927045
  O     16.21096509     10.48658998    -17.30224775
  H     19.65126542      6.92606877    -13.69648520
  H     14.51800521      7.81934121    -16.89836165
  O     14.98500296      7.05279909    -16.54215763
  H     16.58862144      4.21900487    -14.60231055
  H     15.62209699      6.74525770    -17.19949124
          69
 Energy    -248.04954574594387     
  O     11.82079563      7.97758522    -13.28670478
  H     12.59919741      7.78163882    -12.73815360
  H     18.35324503      8.96203906    -15.94858641
  O     17.68384510      8.83405253    -14.30102701
  H     11.15499010      7.33449816    -13.05493003
  H     18.70549727     11.90439733    -13.61731036
  O     16.49211194     11.71051689    -11.10943128
  H     18.11712685      9.36065824    -13.61679755
  H     18.40401743     12.38333493    -15.06471698
  O     14.27872582     13.53642205    -14.52933775
  H     16.81587241      9.24226436    -14.45204850
  H     12.65264667     12.95482422    -14.64912902
  O     14.84205004      6.10376498    -15.71637840
  H     16.48081442     12.57577631    -11.53461498
  H     11.17445062     13.27968868    -14.96489746
  O     15.34745679      7.50140613     -9.33753697
  H     15.67878300     11.26241660    -11.39137590
  H     14.56080953      9.36742058    -14.97180044
  O     16.26293955      6.63034170    -13.40855554
  H     14.96136550     13.71743322    -13.87475390
  H     14.91172115     10.22859325    -13.72193420
  O     14.30640025     10.37804720    -12.01377329
  H     14.72627123     13.11281995    -15.27537871
  H     20.10503711      8.18768555    -10.02341353
  O     18.23847436     11.87713938    -16.90001076
  H     14.25545314      6.87138150    -15.81104274
  H     18.74688510      7.76565023    -10.63160077
  O     17.55567975      6.50863585    -10.90723635
  H     14.54414054      5.46415810    -16.35797429
  H     17.20965986     13.57285220    -13.31292868
  O     15.42351281     11.91950320    -16.50620050
  H     15.06579261      7.26173335     -8.45890645
  H     16.80561190     14.87728904    -12.58658710
  O     18.61177886      9.17557772    -16.86024633
  H     15.86533273      8.32233888     -9.25098763
  H     17.92842662     10.90389360    -11.90265945
  O     18.43466953     12.66705980    -14.14414742
  H     16.84194244      7.34691262    -13.70624897
  H     19.05126011      9.85816023    -11.69525181
  O     11.77679393     12.55707347    -14.80813254
  H     15.80851116      6.30517441    -14.19810078
  H     16.78267769     10.47995455     -9.72121349
  O     15.23048395      9.94968872    -14.59004974
  H     13.38543656     10.65582259    -12.12620918
  H     17.82649413      9.36730329     -9.49499095
  O     19.30654097      8.53242058    -10.41379155
  H     14.30005070      9.42174242    -11.87976522
  H     12.34011559     11.37790190    -16.19437127
  O     16.51008323     13.99083293    -12.77803181
  H     18.40314564     10.91965611    -16.94374893
  H     13.66279410     11.21826953    -16.95630098
  O     18.68899188     10.48527750    -12.33326579
  H     18.81242722     12.28323472    -17.54476367
  H     14.45335932      7.49561048    -10.93860610
  O     16.95814135      9.67839890     -9.21112550
  H     16.81386412      6.68674256    -10.31669542
  H     14.86598977      7.24523558    -12.41754750
  O     12.79965359     10.80592456    -16.82246639
  H     17.17109563      6.39431160    -11.78639844
  H     11.62505755     11.36786855    -13.38268442
  O     14.15654349      7.58619986    -11.85369978
  H     16.34734217     11.99045974    -16.76876898
  H     11.55398818      9.88723409    -12.91650739
  O     11.68409090     10.79182878    -12.60872080
  H     15.39658836     11.23966525    -15.81343687
  H     12.62312417      8.23995040    -14.94982457
  O     13.22123012      8.34714692    -15.70055669
  H     18.38822733      8.40904526    -17.38220114
  H     12.96731111      9.14792123    -16.18537549
          69
 Energy    -248.04946252396979     
  O     17.94492745      9.07503294    -10.52345311
  H     17.63165033      8.19731697    -10.26672113
  H     20.25709429     10.16498888     -8.68420264
  O     13.86292237     10.01503869    -10.08094090
  H     17.19445381      9.61345809    -10.80057690
  H     19.93522648     10.44990277    -12.51187326
  O     19.46696552      3.80984341    -12.51311515
  H     14.44016388     10.03427002     -9.29471020
  H     19.06952380      9.36291428    -11.82702509
  O     21.48346308      7.53906579    -12.20445924
  H     13.03450990     10.41024777     -9.82455857
  H     20.16300522      5.12941867    -13.79712211
  O     15.57917588     10.15032759     -8.03513523
  H     19.40348583      2.87254597    -12.67233521
  H     20.91155458      6.46231166    -13.66271445
  O     23.12150087      8.51600725    -10.12420009
  H     18.58911826      4.19015509    -12.70311243
  H     17.38786710      6.01076579    -13.25841223
  O     17.28564686      8.09891489     -7.25295767
  H     20.90102503      8.29272393    -12.38006652
  H     16.45622646      5.17826815    -12.33425662
  O     21.20385178      7.36301036     -8.57843859
  H     22.16946904      7.85545932    -11.60535953
  H     15.93932142     10.24435376    -12.50861594
  O     17.44639152      6.53964663     -9.59476936
  H     16.05264773      9.37338074     -7.70456336
  H     15.20807526     10.62166392    -11.18846902
  O     17.82452976     11.95123821     -7.97571936
  H     16.21181356     10.87521751     -7.99101627
  H     16.58420087      8.43897530    -13.96223592
  O     17.96479646     12.57191282    -10.77161143
  H     22.51459391      8.06906783     -9.50591617
  H     15.39810446      9.06421014    -14.72415976
  O     19.46780856      9.72070699     -8.33436796
  H     24.00699934      8.32336300     -9.82773165
  H     22.19775609     10.18630104     -9.87273827
  O     19.62669726      9.54140530    -12.60170726
  H     17.31006346      7.43353416     -7.95506326
  H     21.28218675     11.32446748    -10.40011654
  O     20.34500504      5.95521180    -14.26050521
  H     18.11231637      8.58654819     -7.33550141
  H     14.06005031      8.46632655    -11.11872936
  O     17.15523513      5.11212032    -12.99559648
  H     20.73736917      6.71052631     -9.11748052
  H     14.70888984      8.10725367    -12.47813663
  O     16.01918710     10.75934915    -11.69592097
  H     20.56643643      8.05300141     -8.36411533
  H     18.63778793      8.36595948    -13.58103347
  O     15.75089447      8.92582093    -13.84824412
  H     18.27712084      6.19620348     -9.95329340
  H     18.85082396      7.01344814    -14.27319835
  O     21.57771672     10.87360469     -9.59975449
  H     16.71626008      6.05033228     -9.99157602
  H     19.52530724     12.35376905    -11.48910676
  O     14.26529631      7.73052005    -11.70873987
  H     18.08137945     12.49964335     -7.23774765
  H     20.68563002     12.91746861    -12.34473520
  O     18.16031533      7.63322503    -13.99532068
  H     18.44682171     11.20684079     -7.99611353
  H     14.83607168      6.20724337    -11.18100410
  O     20.39093958     12.13793974    -11.88202382
  H     17.24987061     12.05062857    -11.16078078
  H     14.57349801      4.78025846    -10.63557238
  O     15.26513278      5.37356927    -10.91439200
  H     17.88641874     12.46523170     -9.81618462
  H     20.43791159      6.43154404    -11.15569663
  O     19.94141429      5.81420713    -10.59954383
  H     18.91621517      9.49353063     -9.10070759
  H     19.84230098      5.01289941    -11.12844803
          69
 Energy    -248.04939398346988     
  O     -1.55005944      2.18188983     -4.05924156
  H     -2.20967109      2.76025695     -3.63465643
  H      1.10990731      2.40724325      2.71643818
  O     -5.84410091      3.10665518      0.68817094
  H     -1.54749785      2.40806885     -4.98611940
  H      0.45650694      3.12804717     -0.86601937
  O     -1.87722561     -1.86783084      2.68000324
  H     -6.35347487      2.73280728      1.40555135
  H      1.34708211      3.93805989      0.11280551
  O     -0.41633724     -0.23008579     -0.94672104
  H     -5.17266409      3.66283343      1.10724723
  H      3.05944097      0.55760354      0.36173079
  O     -3.28538097      0.00421785     -3.20200573
  H     -2.33966969     -2.18200309      1.88027532
  H      2.12987112     -0.15739151      1.37894699
  O     -3.23499448     -2.53537274      0.46336635
  H     -1.96572388     -2.55234384      3.33743221
  H      3.08222044      1.55956382      2.39657749
  O     -2.07522539     -2.15259266     -2.10946776
  H     -0.13773210     -0.42243422     -0.04018467
  H      3.56304163      2.27596343      3.68319248
  O      0.59764477      1.89905342     -2.24513225
  H     -0.89188271     -0.98947870     -1.30420499
  H     -5.36318855      2.07726311     -0.74095522
  O      0.28525438     -0.40278807      1.69047652
  H     -2.69170655      0.68948807     -3.53122224
  H     -3.99921019      1.39029023     -0.91040790
  O      3.18362777      1.55348219     -1.29408583
  H     -3.98136678      0.45528696     -2.70890658
  H     -2.81221111      2.04325668      3.21359061
  O     -3.44155487      0.49875239      2.41758025
  H     -4.03845585     -1.99462765      0.45790566
  H     -1.44205258      2.74203353      3.12228087
  O      0.21667437      2.32026142      2.35950914
  H     -2.87105957     -2.49232095     -0.42743530
  H     -5.35128555     -0.05057240     -0.11503413
  O      0.43090870      3.69669600     -0.08471401
  H     -1.97387816     -2.84285100     -2.75923868
  H     -4.85073181     -0.23107685      1.32794236
  O      3.01078536      0.22450893      1.26610762
  H     -2.56097833     -1.42658017     -2.54127858
  H     -1.75599908      0.91748736     -0.38985179
  O      2.98319577      2.36775389      2.93240545
  H      0.29283064      1.08549528     -1.81012474
  H     -2.28327260      2.37850103     -0.12815162
  O     -4.86962256      1.48905384     -1.33151866
  H     -0.04096732      2.07701274     -2.94530437
  H     -1.27362371      4.26214881     -0.18707080
  O     -2.36623729      2.88879213      3.36173300
  H     -0.39175791     -0.94224076      2.11794485
  H     -2.69636148      4.50880825      0.44468214
  O     -5.31649531     -0.68231785      0.61042031
  H      0.16264859      0.51315663      1.98047806
  H     -4.11104015      2.98372813     -2.41316761
  O     -2.46661004      1.43914086      0.00103994
  H      3.81033918      1.35578079     -1.98644876
  H     -3.02522042      3.96884084     -1.95635887
  O     -2.22683623      4.22878025     -0.35048959
  H      2.32626312      1.68723945     -1.72851003
  H     -3.28470039      4.06045755      2.50794087
  O     -3.43688834      3.58632779     -2.74558049
  H     -2.93542238     -0.29227574      2.64000986
  H     -3.93188568      5.46670357      2.43145171
  O     -3.79113199      4.66503502      1.93491557
  H     -3.07459212      0.83403921      1.58300928
  H      3.18003950      3.47530457      1.36297811
  O      3.11004892      3.84767036      0.47478651
  H      0.22162502      2.77831363      1.50744401
  H      3.30162823      3.11966225     -0.13020909
          69
 Energy    -248.04938130183930     
  O     -2.26463707      1.24691921      3.29106994
  H     -2.49510986      1.34076202      4.22704958
  H     -2.87158001     -3.43203325      6.51751416
  O     -1.44182141      3.61213659      6.66669535
  H     -2.53184856      0.35732787      3.02818950
  H     -0.62138249     -0.99859045      6.78256622
  O      2.64864811     -0.34725840      2.75868088
  H     -1.60735919      4.39653669      7.18277652
  H     -1.97697255     -1.39356286      7.41122745
  O     -0.38741800     -0.34854711     -0.37486815
  H     -1.07033559      3.90972045      5.81707687
  H     -1.66218732     -3.98640451      4.63956695
  O     -3.00037652     -1.40620244      2.87119042
  H      1.79440682     -0.02955041      3.09461718
  H     -2.30964579     -5.35576519      4.89663338
  O     -3.00025588     -0.89044870      0.18972245
  H      3.03860222      0.41543079      2.31504720
  H     -0.15623660      2.32700953      7.33854739
  O     -1.50870657      3.39820622      1.81476210
  H     -1.33000669     -0.51316406     -0.20262567
  H     -0.15231376      0.83864687      7.71953401
  O     -0.37349246      4.33322258      4.29121822
  H     -0.23805818     -0.57126797     -1.29134776
  H     -4.10483791     -1.62374074      5.89424443
  O      2.04828164      3.03837071      4.13908878
  H     -2.22649110     -1.92276522      3.13247150
  H     -4.05014887     -0.13415181      5.51292945
  O      3.18595626      2.18025028      1.65817011
  H     -3.58108441     -1.33747515      3.64355884
  H     -0.49324430      0.95975179      3.64037596
  O     -0.72145553     -2.83380662      3.64403612
  H     -3.88098758     -0.95039793     -0.17050331
  H      0.86334240      1.60479502      4.07141915
  O     -3.23172828     -2.78491490      7.14825169
  H     -3.07624828     -1.14143412      1.12523258
  H      1.59718112     -1.64419516      1.84693773
  O     -1.34660918     -0.66781894      7.33408293
  H     -1.86730252      2.63318962      2.29808231
  H      0.43394730     -1.56748056      0.84524570
  O     -2.20578758     -4.48477320      5.27087372
  H     -2.24321879      3.80504753      1.36186314
  H      3.11280315      0.66648532      6.08378985
  O      0.42227006      1.60477161      7.61083726
  H     -0.75704533      4.14999418      3.42711434
  H      2.06387267      1.55054719      6.81164594
  O     -4.37245571     -0.99411032      5.21364094
  H      0.54177219      4.01788303      4.25063127
  H      3.27098396     -0.90340454      4.37076883
  O      0.40711552      0.76653937      3.92218730
  H      2.56422715      2.83014800      3.35260989
  H      4.23846494     -1.62609306      5.33576579
  O      0.84486752     -2.14184325      1.50218224
  H      2.46078742      2.60497586      4.90433955
  H      0.33190973      1.27489530      0.26174408
  O      2.86768708      1.57796753      6.26944682
  H      2.30884621      2.18194343      1.23057051
  H     -0.01674573      2.60656639      0.96489869
  O      3.42285945     -1.13310524      5.30299429
  H      3.77798020      2.64706241      1.07540558
  H     -2.48163951      2.13967934      6.27167709
  O      0.71142986      2.10209427      0.58276734
  H     -0.24428000     -2.39075642      4.35959078
  H     -2.30536309      0.61411907      6.45675411
  O     -2.82676553      1.28320958      5.98879739
  H     -0.18851593     -2.71427068      2.84449953
  H      1.59285893     -1.47602228      5.66495122
  O      0.63844689     -1.37787167      5.57646836
  H     -3.67563857     -3.28270777      7.83005818
  H      0.50455858     -0.55356763      5.07897836
          69
 Energy    -248.04934618159587     
  O     -2.77389813      4.44563129      1.67932470
  H     -2.50688410      3.75131771      2.30684902
  H     -3.69920046     -0.31747324      0.72576325
  O     -4.37791774     -0.25677914      5.61814892
  H     -2.69024868      5.27859199      2.13599424
  H     -5.68963769      2.44227712     -0.46962735
  O      0.90699542      2.31134509     -1.25278755
  H     -3.53558442      0.20369829      5.78344886
  H     -6.72678853      2.60642717     -1.60093245
  O     -5.20868556      2.99207642      1.12283842
  H     -4.84769552     -0.27895912      6.44751116
  H     -3.04988818      1.81602635     -2.77821218
  O      0.36202070     -0.03712218     -2.81653549
  H      1.40497072      3.05189558     -1.59066798
  H     -4.27519670      2.55810909     -2.21146522
  O     -1.59724426      3.21094052     -0.55557160
  H      0.03698619      2.65917429     -0.99533920
  H     -1.57595238      1.66612645      2.85875686
  O     -1.77094759     -2.83310209     -0.51877246
  H     -5.19010324      2.38023457      1.86996808
  H     -3.08034222      1.86487396      3.20648950
  O     -0.41984662     -1.05557005      4.47629969
  H     -4.46370999      3.58944604      1.25220419
  H     -2.33735674      0.25172945     -0.95656815
  O     -4.71918279      1.07656302      3.14967566
  H      0.59935063      0.78325455     -2.36604827
  H     -2.17081591      1.49627511     -0.07874541
  O     -2.91679397     -2.35477089      4.29421928
  H      0.58124729     -0.74943001     -2.20242442
  H     -4.50397606     -1.74251872     -2.10612506
  O     -3.35400037     -3.30562305      1.81084284
  H     -1.97400671      3.75911446      0.14132954
  H     -4.19792686     -2.87235835     -3.11769875
  O     -4.41927145     -0.78734171      1.17680054
  H     -2.23164359      3.16415324     -1.29073931
  H      1.42830761     -0.52310749      0.15193910
  O     -5.92160504      2.15030462     -1.36881934
  H     -2.45024858     -2.70749653     -1.19265698
  H      1.48986271      1.01406660      0.00482069
  O     -3.37611594      2.69464154     -2.53372386
  H     -2.23674927     -3.02564215      0.30335393
  H     -1.25612922      0.20074459      1.37508174
  O     -2.20784556      2.28619547      3.24852360
  H      0.47806513     -1.36308705      4.56902470
  H      0.24394039      0.34007671      1.70561071
  O     -2.35011013      0.54854527     -0.03767569
  H     -0.47931042     -0.62170585      3.60703548
  H      1.31232747     -2.81257704     -0.97116660
  O     -3.79111287     -2.29218720     -2.47995511
  H     -4.68189789      0.37073940      2.48508683
  H     -0.11461636     -2.29956667     -0.68480240
  O      1.63140791      0.29213680      0.63111109
  H     -4.76868776      0.64604770      4.01073972
  H     -1.40573388      0.00067385     -2.94515217
  O     -0.63390654      0.27728673      2.11048600
  H     -3.50679390     -1.73880478      4.74337738
  H     -2.78294591     -0.75437728     -2.88668618
  O      0.80680385     -2.01753078     -0.82143404
  H     -2.02514685     -2.00182141      4.41141804
  H     -1.32833909      0.29013162      5.48780896
  O     -2.35996463      0.10776526     -2.81283441
  H     -3.17054505     -3.01213585      2.72114505
  H     -1.97202081      1.61202027      5.04630987
  O     -1.95212539      0.97207451      5.76944312
  H     -3.83201179     -4.12811710      1.88208183
  H     -5.77330375      0.25428619     -1.45389060
  O     -5.64300145     -0.69188806     -1.31834522
  H     -4.10199028     -1.67384228      1.38575729
  H     -5.38908186     -0.78058435     -0.38911967
          69
 Energy    -248.04932778729869     
  O     18.47681581      9.22738676    -10.43575008
  H     18.98125430      9.82516359     -9.87152923
  H     16.87154184     11.80075535    -10.96638650
  O     14.97957337      8.52093226     -9.01142554
  H     17.60518610      9.61535134    -10.59118289
  H     19.92165700     10.01093657     -8.05767769
  O     19.58969254      3.17630461    -11.13106058
  H     14.17242644      8.48148472     -8.50461014
  H     19.30603594     11.41292414     -8.35135844
  O     21.23725523      7.01384699    -12.33768035
  H     15.66676095      8.85252894     -8.40596116
  H     19.00132122      8.91285223    -12.04296692
  O     16.90557120      9.64516787     -7.41693334
  H     19.61927768      2.25046822    -10.90570054
  H     18.37209285      8.24489175    -13.27368045
  O     17.64160469      4.77996665    -14.37889705
  H     18.65147721      3.40667284    -11.25193654
  H     20.66941655      5.44402932    -13.21526359
  O     22.95957529      8.68262194    -10.87899748
  H     20.55273073      7.62296169    -12.64601366
  H     20.13545507      4.07114825    -12.74793933
  O     21.92269727      7.50216235     -8.41968163
  H     21.91697065      7.55530876    -11.91471866
  H     16.58279531      4.68290686    -11.29305832
  O     19.56728184      8.39269177     -7.26878510
  H     17.75052704      9.25017649     -7.17484151
  H     17.09922858      4.13768054    -12.64036656
  O     18.41157822      6.76395629     -9.23246857
  H     17.09092807     10.57318239     -7.60842494
  H     15.45048725      9.72042534    -10.35255362
  O     17.70562328     12.32229895     -8.14551932
  H     18.58731872      4.75453783    -14.14461239
  H     15.60010755     10.00754763    -11.88162111
  O     17.57235126     12.45989287    -10.84923017
  H     17.54982851      4.31693684    -15.20682671
  H     14.49516378      9.30723484    -14.16839962
  O     19.98640329     10.78777249     -8.63118359
  H     22.49947424      9.54049436    -10.91015644
  H     15.70434831      8.58625997    -13.54376264
  O     19.13911207      8.75916135    -12.99369556
  H     23.89193472      8.86937446    -10.95247742
  H     21.10453614     11.02676367    -10.04642555
  O     20.20038467      4.65442545    -13.51464066
  H     21.60754391      6.68169991     -8.82190561
  H     20.94495857     11.26908513    -11.56517169
  O     17.03133469      3.93134813    -11.69969366
  H     22.33885072      7.98200278     -9.14447454
  H     17.04636429      6.38959007    -13.75497213
  O     15.92392615     10.25309581    -11.00282580
  H     19.04189973      7.75158021     -7.76748711
  H     16.58109042      6.95498354    -12.38049687
  O     15.16049292      9.38892673    -13.49047597
  H     20.48140735      8.14091752     -7.47532266
  H     19.36789324     10.58373016    -13.02740952
  O     21.57806991     11.00064756    -10.89070612
  H     19.20598142      6.27035722     -9.47669202
  H     19.62371729     11.95990247    -13.67381365
  O     16.81135944      7.20118613    -13.28844067
  H     18.46767848      7.63051046     -9.66791849
  H     16.95146604      6.42800175    -10.13527538
  O     19.51173297     11.52351292    -12.83209919
  H     17.52623568     13.16407590     -7.73572624
  H     15.55728119      7.04738278    -10.19321055
  O     16.13663880      6.43968405    -10.66392042
  H     17.64596252     12.45846569     -9.10850006
  H     20.90495181      5.99500657    -10.84382492
  O     20.72986264      5.48940730    -10.03665531
  H     18.24899962     12.23809478    -11.49808601
  H     20.42040253      4.61834621    -10.31357578
          69
 Energy    -248.04918269566997     
  O     12.24642999      6.53869971    -11.76496424
  H     12.85741377      5.80414279    -11.89309817
  H     15.40722631      4.66690866    -15.48427816
  O     17.59608694      9.82206403    -15.48555062
  H     12.66467408      7.11554772    -11.10977979
  H     18.16540891      6.45027604    -14.43969781
  O     17.47401557      8.82408572    -12.88371641
  H     17.36316773     10.70331654    -15.15606970
  H     16.84322709      5.74351150    -14.04998485
  O     16.42226094     12.04714318    -14.45729200
  H     16.79631719      9.49041188    -15.91892555
  H     14.38990784      8.68340231    -11.78839146
  O     13.70514445      8.27305568    -10.15985536
  H     17.54915774      7.87558997    -13.05002966
  H     15.65629412      8.94496388    -12.66975068
  O     15.18355592      9.00004777    -16.63455099
  H     17.55910959      9.25733824    -13.74252610
  H     11.95533755     11.02794223     -8.70051818
  O     13.95813232     11.45536758    -15.86136480
  H     15.56950079     11.96537560    -14.90085634
  H     12.72404345     11.19239955    -10.02351616
  O     15.81235678      4.34020374    -17.17548841
  H     16.23574585     12.15744910    -13.51694606
  H     14.08444530      3.56091015    -11.99365191
  O     11.22643460      7.90732038    -13.86382749
  H     14.52067348      8.09315267     -9.67707743
  H     14.57185429      4.59096126    -13.03758187
  O     16.53499121      5.83440762    -11.06373524
  H     13.29772295      9.06613092     -9.78033002
  H     13.43237236      9.96627060    -13.31975793
  O     13.83867654      7.39901596    -14.80593261
  H     14.68992146      8.39576333    -16.06101954
  H     11.99497055      9.67457980    -13.78099916
  O     15.22596740      5.04365248    -14.61163767
  H     14.75599324      9.86026709    -16.54375915
  H     16.42032915      7.05678387     -9.82334905
  O     17.63768124      6.15916828    -13.68615405
  H     13.41535295     11.11737852    -15.12920549
  H     16.60965238      7.41663197     -8.33154448
  O     14.69372925      8.90028096    -12.68004413
  H     13.43906291     12.12233271    -16.30406809
  H     17.40648255      9.71788967    -11.30435368
  O     12.58536548     10.59476713     -9.26923308
  H     16.14023509      5.21690830    -17.44074259
  H     16.79848416      9.44515444     -9.92403869
  O     14.23615119      4.49320075    -12.12989759
  H     15.80582966      3.80924025    -17.96650256
  H     17.55711569      7.00360449    -17.16482469
  O     12.64477801     10.38301914    -13.70780472
  H     11.53396480      7.41396492    -13.08025402
  H     16.18246810      7.61460023    -17.50142165
  O     16.26378603      7.74875967     -9.15561582
  H     10.32921000      7.63017385    -14.02566335
  H     16.30347107     13.10516258    -11.25607179
  O     17.07768143     10.15913185    -10.50707740
  H     17.07094494      5.86864678    -11.86467408
  H     16.28758320     11.56450818    -11.19406145
  O     16.75527017      6.85870026    -17.68129455
  H     15.72576023      5.37036253    -11.31131193
  H     18.59072053      8.35781516    -15.76441648
  O     15.90651152     12.33304686    -11.65330120
  H     12.88257039      7.46787183    -14.70514424
  H     19.85582880      7.54465485    -16.11762922
  O     18.93244005      7.45658565    -15.89381709
  H     14.21001996      7.84924918    -14.03017973
  H     14.03587956     12.21548338    -11.56871415
  O     13.07819990     12.11031064    -11.49191190
  H     14.70353165      5.84777529    -14.75099571
  H     12.79410634     11.62919516    -12.27849632
          69
 Energy    -248.04899688793589     
  O     -3.50523174      4.27537062      2.61686436
  H     -4.24899372      3.86161964      3.04823170
  H      0.77723800      7.39910746     -2.22808919
  O      1.79257659      9.65267890      2.39729179
  H     -3.38378670      3.81707994      1.76823035
  H      1.48680161      1.82642489      2.58279625
  O      0.32638125      8.41168731     -0.78770013
  H      1.22931063     10.14121103      1.78445074
  H      0.35462363      2.87656721      2.47688487
  O      0.21634825      9.20235224      4.56820323
  H      1.89285305      8.77093051      2.01195382
  H     -2.36032649      3.40806237     -2.93759006
  O     -1.87287249      9.71863713      2.66111340
  H      0.73346719      7.91024089     -0.06359951
  H     -0.90314545      2.84315065     -3.09618444
  O      1.45093487      7.05929395      1.34172185
  H      0.15471707      9.29485501     -0.43840858
  H      1.60914607      4.93764285     -2.64745652
  O     -2.15387570      7.16344154     -0.34503402
  H      0.85854880      9.41554974      3.86709324
  H      1.48852771      3.38165448     -2.55790484
  O     -2.82214273      7.04620640      2.30363386
  H      0.53936389      9.60119224      5.37105558
  H     -1.68187330      3.95045479      3.16688677
  O     -0.91102114      4.75585070     -0.62848747
  H     -2.36303390      8.89069996      2.58552695
  H     -0.46423922      4.83769342      3.46558056
  O     -2.90986016      3.09814565      0.21368452
  H     -1.28113891      9.61002172      3.41630021
  H     -4.93900984      3.31998599     -2.72759474
  O     -0.66281715      1.32230386     -0.12282419
  H      1.69917279      6.18693194      1.00629405
  H     -4.06675863      4.53747760     -2.33691098
  O      1.02699417      6.82508981     -2.96978656
  H      0.83177858      6.90309001      2.06836936
  H     -0.66410724      6.55223595     -3.86546781
  O      0.96812732      2.32500916      1.95709608
  H     -1.76547855      6.27825258     -0.43290233
  H     -1.46231180      5.26354606     -4.03355299
  O     -1.45306160      3.63227498     -3.17961758
  H     -1.42829999      7.76432888     -0.54981088
  H      2.00682536      4.30782312     -0.54395422
  O      2.03024911      4.13856728     -2.30713440
  H     -2.66170549      7.11944781      1.34925779
  H      1.61320403      3.70794110      0.86203834
  O     -0.72968690      3.92085962      3.31020684
  H     -3.18714055      6.16701251      2.45525832
  H     -3.03230095      6.32978190     -3.19011567
  O     -4.14592756      3.56756769     -2.26077453
  H     -0.00321392      4.68193358     -0.31249852
  H     -3.36157600      6.67625504     -1.73216696
  O     -1.50028699      6.21543947     -4.20671767
  H     -0.94889023      4.46430158     -1.54905158
  H     -1.19277279      6.82424075      3.06745860
  O      1.73172197      4.52281392      0.36049274
  H     -2.15512014      3.67918551      0.02249361
  H     -0.12254197      7.44615759      4.00339881
  O     -3.71111413      6.22054050     -2.50716423
  H     -3.47856768      3.15262202     -0.56488359
  H      0.76404656      0.88227878     -2.92304393
  O     -0.32094367      6.67267203      3.46234423
  H     -0.09431189      1.58628266      0.61258044
  H      0.06411346      1.51758925     -1.69760905
  O      0.42003550      1.70437098     -2.58479656
  H     -1.51510180      1.74504093      0.03443272
  H     -0.53572037     11.61081817      0.48483886
  O     -0.27411831     10.71668894      0.68757872
  H      1.69780712      7.30170738     -3.45561646
  H     -0.90817687     10.38337410      1.34758079
          69
 Energy    -248.04835911049483     
  O     11.72905144     11.86218509    -13.97708639
  H     12.45754054     11.57194910    -13.40407226
  H     16.06762146      4.95928815    -14.76850296
  O     14.93488519      5.21529897    -17.66795398
  H     12.11735726     12.45159914    -14.61904393
  H     14.52828209      8.23543509    -10.33958221
  O     13.56201786      6.07446554    -12.27858930
  H     14.98333427      5.03645651    -18.60294257
  H     14.64853921      6.94867191    -11.16293060
  O     17.29679756      5.77079859    -10.22531318
  H     14.63010401      6.13538974    -17.57332581
  H     14.59763052      8.28264205    -14.22676014
  O     13.23475657      3.94887440    -15.70836970
  H     12.63703044      5.82751446    -12.16216195
  H     13.74178709      9.22799115    -13.32383524
  O     10.03371077      9.73451586    -14.10201050
  H     13.56915227      6.87004895    -12.83427899
  H     10.22660624      4.94887231    -11.95672827
  O     14.20985864      7.79277251    -17.19403274
  H     18.03001842      6.23667146    -10.64598627
  H     10.84734125      5.57695244    -13.22974457
  O     19.25971337      7.03266545    -11.91022295
  H     16.56000879      6.39510414    -10.20602914
  H     10.59329903      8.85631410    -12.48517135
  O     11.81296319      8.15598619    -15.68324545
  H     13.84102574      3.84585694    -14.96390843
  H     10.80395987      7.47154564    -11.83928264
  O     17.09655912      3.49221739    -11.70228280
  H     13.76431055      4.30324427    -16.43221733
  H     15.69459480      3.79252298    -12.89254398
  O     18.69361803      4.98326051    -13.57201829
  H      9.13131799     10.02422845    -14.21032672
  H     14.52195772      4.79608344    -13.06766947
  O     16.62674677      5.39614731    -15.42953881
  H     10.58462597     10.53632323    -14.07922559
  H     11.28662044      6.38588541    -15.29545201
  O     15.17002497      7.59019183    -10.65610981
  H     13.33979518      7.97044557    -16.81307691
  H     11.79358542      4.92307085    -15.22296396
  O     13.75116334      8.37074806    -13.76577728
  H     14.86576932      8.11491815    -16.56463958
  H     12.59905581      9.64167529     -9.33332638
  O     10.80107947      5.64691282    -12.25677290
  H     20.20158007      7.12531220    -11.79871413
  H     12.21714843      8.98589724    -10.68121631
  O     10.91703448      8.41876304    -11.68929293
  H     19.12066317      6.31589766    -12.55623016
  H     16.38514503      7.17798653    -15.17367617
  O     15.05919784      4.13668168    -13.53132015
  H     11.08470933      8.68618165    -15.34150071
  H     16.59090133      8.36884340    -14.20187043
  O     11.10234234      5.52287789    -14.90607884
  H     12.49231772      8.20125706    -14.99092606
  H     14.66249370     11.11030130    -12.36777819
  O     12.96097186      9.34930422    -10.16575456
  H     17.29762175      2.72731337    -11.16996709
  H     13.50274751     10.44412246    -11.55284157
  O     16.15824767      8.10790303    -15.02566181
  H     17.12535348      4.26383938    -11.10901829
  H     17.13148140     11.91996608    -12.63634554
  O     13.73551563     10.83348148    -12.40556338
  H     18.23656371      4.34776243    -13.00701734
  H     16.76180029     10.44996000    -12.36838578
  O     16.41961529     11.35820474    -12.34165059
  H     18.11548650      5.12666888    -14.33319226
  H     17.89430656      8.19467516    -12.25552911
  O     17.07840342      8.68317714    -12.42331741
  H     16.19554197      5.25657937    -16.28139995
  H     16.40337479      8.32123164    -11.83160824
          69
 Energy    -248.04833405391548     
  O     15.84859456      2.80263386    -15.02429187
  H     15.98932710      3.74220350    -15.20253149
  H     18.27170933      5.98334516    -12.51015217
  O     18.76147060      8.57960216     -9.80054622
  H     16.56721256      2.53920754    -14.43513324
  H     16.32189526      8.43204047    -14.12882569
  O     13.63920097     12.20874185    -11.00646213
  H     18.99373353      8.25953205    -10.68118613
  H     17.46062437      8.79424215    -15.09098065
  O     19.10287470      9.62281416    -14.56411994
  H     17.92730826      8.13899105     -9.58307576
  H     14.98491323      8.37039661    -12.44039345
  O     17.80262246      2.41858194    -12.97119359
  H     13.24611387     13.04828764    -10.78535768
  H     16.03037911      8.28548625    -11.30276953
  O     12.70354790      9.53561921    -10.56224035
  H     14.31616146     12.02230474    -10.32923298
  H     12.92657127      2.07805674    -13.87739625
  O     16.20336560      7.50192287     -9.67837904
  H     18.79323476     10.33351660    -13.97219127
  H     14.34525530      2.64417437    -14.13302634
  O     13.26969212      8.11845719    -12.90293429
  H     19.79866479      9.99250677    -15.09992601
  H     15.22883460     10.60509515     -8.84111725
  O     18.10914677     11.45548175    -12.84763650
  H     17.93982642      3.36844635    -12.81644055
  H     16.44625245     11.35086304     -9.46439004
  O     14.23769332      8.98084771     -8.41968173
  H     18.65264286      1.99820247    -12.86836630
  H     14.87037562      5.38956870    -11.70230123
  O     16.24679736      5.59936418    -14.85358653
  H     12.76838959      9.02274095    -11.37902645
  H     15.45692315      4.21755238    -10.88808767
  O     17.80700422      5.13736039    -12.54644242
  H     12.86568507     10.45690624    -10.79856917
  H     15.57043731     10.38893310    -12.60296725
  O     16.59995721      8.35944317    -15.05193182
  H     15.50335747      7.90983364     -9.15182519
  H     14.72193344     11.66621805    -12.38647578
  O     15.91343690      8.54785826    -12.22629685
  H     15.90451848      6.63082742     -9.97606139
  H     18.88989443     11.72651680     -9.48073949
  O     13.58494658      2.67003350    -13.52398401
  H     13.36854431      8.61609884    -13.72886086
  H     18.48159321     10.29009513     -9.88051764
  O     15.51455660     11.44015534     -9.22984987
  H     13.31168289      7.17341479    -13.10105954
  H     13.61849975      4.54737205    -13.36574248
  O     15.47510774      5.18182798    -10.97783990
  H     18.21718289     11.42648194    -11.88959055
  H     14.66410185      5.54199042    -13.92712420
  O     15.33482312     11.23959967    -12.99906887
  H     17.16203034     11.57549590    -13.00059719
  H     14.71970795      2.41692532    -11.97121619
  O     18.25508743     11.23015937     -9.99202214
  H     13.70348552      8.87441735     -7.63748082
  H     16.24139743      2.27712179    -11.79864817
  O     13.91361105      5.46501313    -13.31993323
  H     13.62523713      9.13408996     -9.16306695
  H     14.41437901     10.40348749    -14.45997779
  O     15.42684252      2.46009283    -11.31464912
  H     16.85196200      5.43821219    -14.11603100
  H     14.86328965      9.25551465    -15.36559305
  O     14.07516673      9.68834260    -15.01617626
  H     16.38836854      6.51483241    -15.12530237
  H     17.75901421      8.06692742    -12.38034918
  O     18.67173579      7.76830384    -12.49850147
  H     17.05964687      5.19017787    -11.93326373
  H     19.02138865      8.30590401    -13.21963869
          69
 Energy    -248.04829618977234     
  O     -3.94833610     -1.87892661      1.32092202
  H     -4.12976785     -1.55323731      0.42138322
  H     -4.59700602      4.11196387     -2.86098342
  O     -1.12167892      4.14886009     -1.99756814
  H     -4.65237522     -2.48300276      1.54194639
  H     -1.26105002     -2.08893055     -2.88509355
  O     -3.54827769      1.75034350     -0.86272365
  H     -0.96858974      3.19758746     -2.05032377
  H     -1.40681064     -1.82696390     -1.36722906
  O      1.16228044     -0.65117723      4.58914705
  H     -2.06744608      4.27082477     -2.14478766
  H     -0.25385903      3.15857636      3.04573674
  O      1.80265015      4.80745293      2.10196529
  H     -3.57831285      1.98129971      0.07291019
  H     -0.41919527      2.60070062      4.47847961
  O     -0.82570944      2.91826715      1.35932457
  H     -2.61964519      1.60143540     -1.09816946
  H     -2.47017701      7.57492709      1.93909703
  O     -1.12939891      1.04825653      5.02602084
  H      1.69230378     -1.18766243      5.17156447
  H     -2.36497352      6.10465019      2.40981908
  O     -4.20812109     -0.93678826     -1.21718684
  H      1.68020443      0.15038085      4.39021215
  H     -2.52473161      2.78938536      1.66617045
  O     -2.71211174      0.17806643      2.81228083
  H      1.17804209      5.13479272      1.43805031
  H     -3.92029941      3.46410379      1.45764708
  O     -0.11727411     -0.65372789      2.10297128
  H      1.28459824      4.60947970      2.88810468
  H     -1.58275724      4.45743547      3.95480701
  O      2.33931884      1.68611775      3.92585855
  H     -0.23281287      2.26940492      0.96283711
  H     -2.95147591      4.11967871      3.34972488
  O     -3.99053954      4.15180557     -2.12572068
  H     -0.64100333      3.77324477      0.94668168
  H     -0.21533746      1.19086854     -1.12505894
  O     -1.57262175     -1.44940883     -2.25025361
  H     -1.78323150      0.70708771      4.40216194
  H     -1.12613679      0.36366687     -2.06026251
  O     -0.01823968      3.32592996      3.97219736
  H     -0.42037668      0.39398593      5.04504145
  H     -4.29995743      4.83775095     -0.36635807
  O     -2.35904540      6.68122484      1.62497319
  H     -4.14908286      0.02550614     -1.13800169
  H     -3.76329806      5.64654448      0.83809652
  O     -3.47784043      2.68797783      1.83628615
  H     -3.42077653     -1.19581026     -1.71138494
  H      0.68970228      0.41662639      0.90816586
  O     -2.41018482      4.85429617      3.65526363
  H     -3.20696056     -0.53096441      2.38183975
  H      1.75747916      1.51514093      0.56270468
  O     -0.95201565      1.26134015     -1.74899460
  H     -3.10730098      1.01347646      2.52937636
  H     -2.19670733     -2.39745942      0.67218230
  O     -4.37582451      4.94338668      0.58983429
  H      0.35882189     -0.77671295      2.93330913
  H     -0.75965293     -1.90826881      0.89315242
  O      0.94261723      1.09388854      0.26247424
  H     -0.99241611     -0.30765262      2.33043050
  H      3.97891489      2.74810742      0.97886712
  O     -1.31560855     -2.40573521      0.27897072
  H      1.62246649      2.32346295      4.03756231
  H      2.69954503      3.40316728      1.55106907
  O      3.10956766      2.55100340      1.31761575
  H      2.73925067      1.89168989      3.07308064
  H     -0.95829645      5.93905830      0.62917431
  O     -0.24168057      5.39447188      0.27931661
  H     -3.93416697      3.25239057     -1.75940194
  H     -0.50014264      5.07105587     -0.59797793
          69
 Energy    -248.04828699984864     
  O      5.23766844     -6.16348753     -4.63087241
  H      4.30760782     -6.01322621     -4.84099826
  H     -0.50522311     -4.34435248      3.24115662
  O      6.21363290     -3.93890839     -3.41667852
  H      5.25108686     -6.82283338     -3.92442346
  H      4.43613669     -3.29254568     -3.34803958
  O      0.84904604     -6.98617638      1.29327289
  H      6.99721871     -3.57983349     -3.82340622
  H      3.33593638     -3.25600802     -2.26329389
  O      1.51554037     -5.80369030     -1.11285157
  H      5.95687413     -4.72337843     -3.93455213
  H      3.97889084     -9.32942168      0.21235559
  O      0.74986392     -9.61680749     -1.99211336
  H      1.13501883     -6.59469546      0.45187663
  H      5.29613930    -10.13378402      0.33052057
  O     -1.32229649     -3.70032661     -0.08128999
  H      0.41031356     -6.27447962      1.77612106
  H      1.72148542     -9.54566332     -0.36985020
  O      3.03066120     -3.65794366     -0.45056138
  H      1.87936894     -6.47065331     -1.70745070
  H      1.75075404     -8.61922564      0.86038195
  O      2.43646830     -5.44992877     -4.58913867
  H      0.62559428     -5.60058585     -1.43321917
  H      3.31292530     -7.75658837     -2.71127447
  O      5.42466107     -5.11873422     -0.96328460
  H      1.30843132     -8.95715878     -2.43889116
  H      2.34386141     -6.96913901     -3.64094260
  O      0.62532120     -1.97034829     -0.96852052
  H      0.62401545    -10.33570611     -2.60601379
  H      2.84409933     -4.33224153      2.51184302
  O      5.00692332     -7.61343319     -2.18312577
  H     -0.71526557     -2.99929488     -0.36692663
  H      2.92365779     -2.82864681      2.90379224
  O     -0.08768752     -4.55615520      2.40872681
  H     -1.01874699     -3.97733653      0.78832092
  H     -0.62343588     -5.02172023     -3.69012926
  O      3.48268279     -3.22408058     -3.21764260
  H      2.46553159     -4.41613384     -0.67754066
  H     -1.01458273     -4.74532784     -5.15954873
  O      4.93807532     -9.29679067      0.04712452
  H      2.92239423     -3.49788202      0.49489549
  H      5.39383327     -7.67622211      0.95728917
  O      2.24821678     -9.30727749      0.40340242
  H      2.79618960     -4.69369034     -4.10330552
  H      5.63464105     -6.19459510      0.59748332
  O      2.38791481     -7.68075576     -2.98678390
  H      1.50190921     -5.25015010     -4.73053551
  H      1.81220677     -2.40476430     -3.72139873
  O      2.50254295     -3.44023482      2.30582384
  H      4.64630395     -4.60232547     -0.71858434
  H      0.42677146     -2.97913337     -4.06615184
  O     -0.27851239     -4.73311276     -4.55284832
  H      5.83666659     -4.65959325     -1.70598027
  H     -0.67648474     -7.72058727      0.10498454
  O      5.48870200     -6.79533772      1.33896414
  H      1.47254631     -2.36072140     -0.73972488
  H     -0.60467961     -8.57661452     -1.16771919
  O      0.87031347     -2.19143717     -3.73123240
  H      0.61494267     -1.92895507     -1.93684180
  H     -1.26267040     -6.37977706     -1.67682602
  O     -1.14704309     -7.92059685     -0.71077956
  H      5.13628689     -6.75848279     -1.74765612
  H     -1.30659380     -4.83843488     -1.40189857
  O     -1.08652835     -5.51182279     -2.06634960
  H      5.08833380     -8.28528276     -1.49432318
  H      2.52489104     -6.50435669      2.29390472
  O      3.23462891     -5.97116959      2.66427552
  H      0.75020946     -4.06889038      2.38639181
  H      4.06157042     -6.28770754      2.26988293
          69
 Ord_Energy   -248.048157    
 O   -6.44156551       2.94389820       8.54048443    
 H   -6.71501207       2.26161480       9.16471291    
 H   -5.49181890       3.11109304       8.66173077    
 O   -8.66633892     -0.339704275       7.97349453    
 H   -8.18992519      -1.14253807       7.72842836    
 H   -8.88254738      0.123542219       7.15552044    
 O   -3.46005559      0.679848373       7.26417685    
 H   -2.96048927      0.576515913       6.44600916    
 H   -4.36437130      0.869735658       6.97865057    
 O   -7.39760542       7.45118427       5.73171473    
 H   -7.67407322       8.07160950       6.40130758    
 H   -7.26538563       6.59808445       6.17868614    
 O   -4.35759878     -0.669838786       3.17219186    
 H   -4.94158077      -1.02377260       3.85842538    
 H   -4.93494749     -0.236731768       2.53272986    
 O   -6.17073011       3.29412508       2.55828071    
 H   -6.01169538       4.18339062       2.21758223    
 H   -6.88041925       3.37545013       3.21405983    
 O   -4.06466198       4.99996424       6.12672710    
 H   -4.16165400       5.77615547       5.55623245    
 H   -4.05280113       4.22887611       5.54018641    
 O   -6.79706621       4.93641233       6.68687487    
 H   -5.85038519       4.99844599       6.49019527    
 H   -6.87107420       4.33397818       7.43852472    
 O   -6.82498884      -2.52734470       7.56515741    
 H   -6.85930395      -3.41822767       7.90210676    
 H   -6.15278387      -2.05162644       8.08652878    
 O   -3.75447226       3.32640886       8.41301155    
 H   -3.41674328       2.48982573       8.07138348    
 H   -3.68678117       3.97361708       7.69773626    
 O   -6.15613794      -1.22145081       5.21212816    
 H   -6.11042261     -0.337873459       5.60160398    
 H   -6.36822653      -1.82123876       5.93746662    
 O   -8.15393829     -0.411308944       3.38923025    
 H   -7.61880302      -4.60404195E-02   2.67587495    
 H   -7.52665472     -0.869696140       3.96580935    
 O   -4.85334063       7.01481104       4.41583347    
 H   -5.11316490       6.69467354       3.54425526    
 H   -5.66437960       7.34020329       4.82524061    
 O   -2.47430015      0.665791690       4.54174852    
 H   -3.08335781      0.115161769       4.01575708    
 H   -1.60008180      0.529032290       4.18732023    
 O   -8.31971169       6.26881647       3.31549501    
 H   -8.46370792       5.37341881       3.65069294    
 H   -8.14090252       6.80882263       4.09618473    
 O   -8.09524536       3.71748686       4.51052761    
 H   -8.53117847       2.91511869       4.82246304    
 H   -7.66266918       4.12298965       5.27545929    
 O   -6.02232647       1.41682374       6.26793575    
 H   -6.20273018       1.94725764       7.05774355    
 H   -5.50052786       1.95172501       5.65168905    
 O   -7.18063211      0.697526217       9.98778248    
 H   -7.60634804      0.565789878       10.8306828    
 H   -7.78371191      0.345988035       9.30726814    
 O   -4.32767248       2.76346087       4.56225157    
 H   -3.63521004       2.10585451       4.42090368    
 H   -4.82688570       2.90106249       3.74716067    
 O   -5.07714462     -0.982681572       8.95131302    
 H   -5.64301968     -0.341416687       9.39916992    
 H   -4.37405252     -0.488138616       8.51374245    
 O   -8.74403477       1.19565892       5.53834963    
 H   -7.81933069       1.30049157       5.80402184    
 H   -8.72389221      0.636892855       4.74553251    
 O   -5.99902105       6.01615191       1.93160284    
 H   -6.86967373       6.16393089       2.34473681    
 H   -5.97714615       6.54437494       1.13793445    
 O   -6.24710703      0.737167656       1.53379536    
 H   -6.36753893      0.743673742      0.587020457    
 H   -6.23173523       1.66501641       1.81929064    
          69
 Energy    -248.04814800615702     
  O     -3.84343518     -0.53301425      2.74437275
  H     -4.13304970      0.11235453      2.07999465
  H     -2.67338329      3.16074867     -0.63924418
  O      0.45846447      2.55504016      3.35746163
  H     -3.49500578     -0.00412046      3.47229937
  H     -7.38558400      1.93982728      1.53684133
  O     -1.80640172     -1.54313817      1.19668157
  H     -0.37222341      3.02690965      3.21079427
  H     -7.47550151      1.86994215     -0.01544955
  O     -4.27684012      0.96555943     -2.65748866
  H      0.28132879      1.91725606      4.05994042
  H      2.39997980      1.36013822      1.16928747
  O     -1.76658478     -0.31653428     -2.68697637
  H     -2.23045266     -1.98344659      0.44722412
  H      1.14328306      1.71062313      2.00004873
  O     -4.51412405      1.28616079      0.78821775
  H     -2.51347729     -1.25945936      1.79404964
  H     -4.63625798      1.97482370      4.46311648
  O     -7.51696915      0.96362259      3.09792959
  H     -3.41782408      0.53288513     -2.75941648
  H     -5.25221265      3.22530717      3.80728647
  O     -7.84768357      0.65381852     -1.30140624
  H     -4.84239917      0.32476925     -2.21806659
  H     -2.90239280      4.06371560      2.94632020
  O     -2.83456941      1.36901455      4.50643049
  H     -1.31426641      0.00764430     -1.89007440
  H     -2.11039659      3.30044853      1.86452694
  O     -3.94780087      3.57852512     -1.92821732
  H     -1.08944830     -0.50466025     -3.33200219
  H     -4.85767161      5.68541966      3.25605764
  O     -5.55171024     -0.81294566     -0.62365821
  H     -5.33394461      1.79507105      0.81404687
  H     -4.88528766      4.76262585      2.01627565
  O     -2.24686719      2.81456901      0.15458711
  H     -3.78504132      1.88563404      0.59708876
  H     -6.88854356     -0.70407184      2.28712628
  O     -7.12330741      2.38783189      0.72222333
  H     -8.23656904      0.93896074      3.72336688
  H     -5.51686773     -1.37116744      2.33188203
  O      1.48016205      1.13905121      1.28620969
  H     -6.78226370      1.42748173      3.53925817
  H      0.15224114      0.00604181      5.86174650
  O     -5.47507148      2.37100453      4.19605175
  H     -7.12951257      0.02400543     -1.14033441
  H     -0.05231509     -0.19768688      4.34204796
  O     -2.12999794      3.50123721      2.81204944
  H     -8.47819527      0.20071240     -1.85567245
  H      0.87726480     -0.42157280      2.30980589
  O     -4.60839219      4.81792131      2.94803828
  H     -2.58009065      2.08263298      3.90298294
  H     -0.33989761     -1.36686450      2.31616079
  O     -6.38680136     -1.43935821      1.91467453
  H     -2.01047478      1.00568332      4.85269383
  H     -2.70130806     -1.76629084     -1.75926621
  O     -0.26776049      0.38336241      5.09368307
  H     -3.91619752      4.10261834     -2.72450545
  H     -4.02397953     -1.93198064     -0.98855654
  O      0.38129005     -1.03225371      2.86709993
  H     -4.14203263      2.66596109     -2.20482802
  H     -1.13314649     -0.17032536      0.25205116
  O     -3.14184835     -2.30957297     -1.09548143
  H     -5.94694748     -1.23204832      0.15736673
  H      0.10087257      0.76695949      0.14294139
  O     -0.73002249      0.52756596     -0.28740582
  H     -5.07321528     -0.05213678     -0.25563589
  H     -4.96584752      4.29098576     -0.42093356
  O     -5.44245866      4.53251006      0.38014257
  H     -1.70313612      2.05274189     -0.08921569
  H     -6.17281600      3.90006024      0.45781412
          69
 Energy    -248.04809768357035     
  O     11.72731078     11.63153674    -14.38406143
  H     10.83754367     11.93333516    -14.21809597
  H     17.48109636     13.04599611    -12.84441852
  O     18.22714484      6.22840522    -11.56032116
  H     11.91826218     10.94358996    -13.72310152
  H     14.65154868      9.89662252    -18.66818415
  O     16.89755902      9.80493062    -11.58338615
  H     18.04096060      5.76702281    -12.38699859
  H     13.93906994      9.93878636    -17.29278053
  O     12.55592374      9.62759703    -16.30500579
  H     17.37046000      6.55416211    -11.25380227
  H     15.44090775     10.00533623    -14.30553322
  O     15.30859469      6.84802942    -14.06433358
  H     16.60903908      8.90988646    -11.36675895
  H     14.88015054     11.37126435    -13.80240628
  O     17.63876256      5.29490508    -14.21987030
  H     16.26024354     10.12973204    -12.23814984
  H     16.49675149     12.58527336    -16.46761225
  O     14.20936332     13.03501975    -14.24175388
  H     12.22849253     10.34201176    -15.74601009
  H     15.30173112     11.79299309    -17.05147296
  O     18.74669175      9.85503919    -15.36786673
  H     12.55368824      8.83046586    -15.76139832
  H     14.17312705      9.95359834    -10.08058030
  O     15.67039967      7.33132130    -11.23578561
  H     15.61631810      7.58970920    -14.60813864
  H     13.16222335      9.24142153    -10.99275519
  O     18.32948032     12.55897025    -16.06904421
  H     16.01044782      6.18680638    -14.11024135
  H     21.16647217      7.41455066    -11.66521017
  O     19.51122858      7.17182871    -14.82253241
  H     17.89328095      4.46079324    -14.60522251
  H     19.64497616      7.22201178    -11.85723497
  O     18.24757506     12.83210500    -13.38792201
  H     18.29380926      5.95195573    -14.51799494
  H     15.74250395     14.54833331    -11.80747857
  O     14.78662451     10.09962833    -17.74674190
  H     13.30863809     12.70345015    -14.33383844
  H     15.18634381     13.52171511    -12.81563691
  O     15.08226818     10.46675650    -13.53629179
  H     14.63908025     12.98283419    -15.11157295
  H     15.96297275     10.94159829    -10.40318984
  O     15.53567005     12.58974931    -16.56145420
  H     18.68954463     10.73090276    -15.76778968
  H     15.31304305     12.29143657    -10.66573415
  O     13.77114554      9.09173291    -10.26041366
  H     18.95020954     10.00064508    -14.43109589
  H     19.85422746      9.51874263    -12.45466081
  O     20.41875407      7.72601705    -12.16810527
  H     14.96123194      7.84356098    -10.81732261
  H     18.45474664     10.11671294    -12.22799953
  O     15.79249138     13.62989915    -12.06438422
  H     15.42841505      7.19092452    -12.15974757
  H     12.14038415      6.53786007    -14.56956768
  O     15.24280751     11.51341489    -10.10276351
  H     18.29578245     12.72579305    -15.10833686
  H     13.57425180      7.07764169    -14.36835092
  O     19.30390024     10.27939864    -12.67273925
  H     18.94595541     13.18790729    -16.43491232
  H     13.49680832      9.85249416    -12.95969514
  O     12.65261450      7.34166524    -14.52963825
  H     19.31705239      8.04108221    -15.19339252
  H     12.47337296      8.74040925    -13.28487986
  O     12.58112912      9.56828812    -12.80075346
  H     19.95220208      7.34101801    -13.97957199
  H     15.77206487      9.29436849    -16.41557786
  O     16.15610114      8.96662459    -15.59331397
  H     18.68367672     12.06583590    -12.99360049
  H     17.08217430      9.24456281    -15.55600730
          69
 Energy    -248.04783814564269     
  O     15.92336381      9.10029332    -14.95920070
  H     16.36524816      9.92336847    -15.21885945
  H     13.08764117      9.83629521    -11.09635959
  O     16.70658310      7.98838637     -8.57693915
  H     15.91071344      9.07195832    -13.98720107
  H     14.24206882     10.49382860     -9.25433271
  O     17.27436400     11.47494114    -15.28279711
  H     16.96688082      7.54097446     -9.40134385
  H     12.84651985     10.84129832     -8.68221892
  O     13.93402805      7.48072482     -9.06301127
  H     17.28518764      7.66245364     -7.89251420
  H     20.25528956      3.36500466    -13.70891936
  O     14.74769804      6.57400643    -14.75969575
  H     16.78637247     12.11074329    -14.74476021
  H     18.77593141      3.81765835    -13.71785562
  O     18.62341824      8.16977631    -14.67172523
  H     18.09136435     11.30239923    -14.79899302
  H     16.64653640      6.18525178    -11.37499983
  O     19.34597715     10.55818489    -13.50983572
  H     13.58535710      8.37903248     -9.10281423
  H     18.09849795      6.75707483    -11.39682282
  O     19.48583094      6.63535996    -12.44540345
  H     14.85908371      7.57641833     -8.80655440
  H     19.27181461      5.18931828    -15.31941442
  O     13.15742702      5.53482920    -10.79209098
  H     15.12241078      7.44149982    -14.95976069
  H     17.99483114      5.43329124    -16.14469407
  O     13.84947031     11.10962403    -14.17273994
  H     13.89716320      6.72278847    -14.31784056
  H     15.37261906     13.80475657    -13.37690815
  O     12.58130869      7.05038584    -13.16102951
  H     17.69898131      8.39511159    -14.82403018
  H     14.97749136     12.33092970    -13.63651518
  O     13.24330007      9.51731094    -11.99255042
  H     18.80343642      7.39069629    -15.22002329
  H     15.62571287      5.36815525    -15.72942634
  O     13.29557689     10.26552979     -9.29468966
  H     20.29300527     10.66571686    -13.46447991
  H     15.72920768      4.43889766    -16.95798593
  O     19.69561805      4.13363815    -13.77491563
  H     19.18839595      9.68597368    -13.90912485
  H     16.39378971      8.21367482    -11.79883971
  O     17.23687659      6.82855999    -10.95951453
  H     19.65612593      5.76120293    -12.81890655
  H     16.40197417      9.76439554    -11.96394221
  O     18.87549211      5.78614861    -15.96703591
  H     19.21519481      7.18914123    -13.18951670
  H     16.76972248     11.94435040    -12.18695933
  O     15.71003465     12.91325828    -13.36598531
  H     12.60938130      4.91876377    -10.31343112
  H     18.07147937     11.09642549    -12.20028750
  O     16.20100274      4.72769353    -16.18077061
  H     13.41337418      6.23092162    -10.16118227
  H     14.66627376      5.23352529    -11.80199532
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  H     13.47445018     10.63178952    -13.41834652
  H     15.25951409      5.73386658    -13.14849414
  O     17.29158668     11.31204384    -11.67273178
  H     14.30130703     10.44290764    -14.69830994
  H     16.51974644     10.99027052     -9.95097732
  O     15.46699046      5.24201023    -12.34224789
  H     12.62673485      6.47316525    -12.38940922
  H     16.32963414      9.80849604     -8.96724040
  O     15.98086655     10.67479451     -9.21567650
  H     12.65045921      7.94642347    -12.80448713
  H     16.76173107      3.71228700    -14.65671818
  O     17.07300013      3.44169015    -13.78350205
  H     14.17455187      9.24637823    -12.01781230
  H     16.52361352      3.93122088    -13.15697916
          69
 Energy    -248.04782375994930     
  O      8.86905924     -9.22385291     -4.94334013
  H      9.49676744     -9.16577711     -4.21132891
  H      4.90043151    -11.82459798      1.11875168
  O      6.82905533     -7.59448678     -4.25839731
  H      8.75797103    -10.16054775     -5.14690979
  H      9.46757518    -10.28501860      1.03256042
  O     13.16636627    -11.86463733     -1.08306983
  H      6.91783705     -6.75579132     -4.70312289
  H     10.81258277    -11.01574789      1.28820489
  O      8.72720192     -8.64550603      0.90850923
  H      7.53544375     -8.17224759     -4.60095535
  H      8.67252432    -12.53898017     -4.68574815
  O      7.48090864     -8.31942950     -1.63663600
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  H      8.59354818    -12.47512116     -6.23147180
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  H     13.72598612    -11.98253824     -1.84624836
  H      9.24964574     -8.69521497     -2.19653980
  O     10.45967663    -11.59721460     -1.65658306
  H      7.97035227     -8.79445527      1.49687830
  H     10.71604887     -8.63632540     -1.72132318
  O      5.99690603    -11.64952558     -3.99821686
  H      8.34476799     -8.39804095      0.05809647
  H      6.99642152    -12.54325164      1.13191841
  O      4.76264080    -13.54745320     -2.32051670
  H      7.21401196     -9.25272356     -1.58448746
  H      8.52256439    -12.31630158      0.87717228
  O     11.37568709     -8.23130644     -0.07626505
  H      7.20678921     -7.97937286     -2.49823457
  H     12.93879747    -10.99765923      0.44512775
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  H      7.28725871    -11.53311403     -0.82270839
  H     13.33776490    -10.53650618      1.86746896
  O      5.43886689    -11.94837142      1.92012315
  H      5.86052418    -11.03335035     -1.08270729
  H      7.45951685    -14.05378640     -0.64250899
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  H      7.41331789    -15.53627584     -1.07575332
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  H      6.73042828    -11.78112313     -4.60955149
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  H      6.39221420    -11.43951412     -3.13883461
  H      8.44539006    -13.87807494     -2.68616714
  O     12.63081162    -10.50972040      1.22819100
  H      5.54865029    -14.02249168     -2.02376811
  H      9.58583999    -12.82895117     -2.66824740
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  H      5.05819023    -13.01026062     -3.06826558
  H      5.81589027     -8.75997574      1.51153297
  O      4.55784970     -9.26911673     -3.90747088
  H     11.90639483     -8.89847638      0.37334673
  H      6.07165632    -10.11963571      2.19053770
  O      9.05952564    -13.39542295     -3.25010210
  H     10.53874194     -8.19876343      0.40690151
  H      3.68279553    -10.87983210     -0.86214604
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  H      4.24400306    -12.33255303     -1.11492167
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  H      4.34255994     -8.39610069     -0.52581599
  O      5.06244723     -8.03386317      0.00359977
  H      4.86306038    -12.31627919      2.58563696
  H      5.81427256     -7.94821598     -0.59244890
          69
 Energy    -248.04775070850684     
  O     15.71422882     11.88529085    -16.62015926
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  H     16.43783582      4.76508218    -14.62730834
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  H     14.86150738     11.44285955    -16.46238663
  H     19.79936661      6.88547696    -12.41331426
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  H     18.58453541      6.20767577    -11.76341515
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  H     20.42065611     10.26371307    -18.35360218
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  H     18.63036011      9.35888108    -12.13305597
  H     18.98213979     10.06269085    -17.85055684
  O     15.08907740      9.97112155    -10.69215904
  H     17.36632171     10.03538786    -12.69134937
  H     18.25363544      8.10049141    -15.38942334
  O     13.53321276      7.40422409    -13.89364536
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  H     16.89606291      7.98887675    -16.16487549
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  H     14.39813541      7.07749657     -8.77604964
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  H     21.11973179      9.06147075    -12.63800557
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  H     20.06221542      3.41206250    -13.84287275
  H     17.19381036      7.89481543    -11.42662961
  O     13.35200724      7.69694395    -16.62579216
  H     19.46206984      4.78199852    -13.45701217
  H     16.78488953      9.27704386    -18.20150332
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  H     11.71118184      6.31753994    -11.40746835
  H     16.73002734     10.75377792    -17.74718575
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  H     12.84641842      6.84600821    -12.29749491
  H     14.98823078     10.22825909    -13.67479835
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  O     14.12674036     10.02391015    -13.28207811
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  H     16.32572202      6.75115650    -17.78091418
          69
 Energy    -248.04768719428318     
  O     18.55045958     10.32856079    -13.78427722
  H     17.93735215     11.06209305    -13.91676772
  H     10.63683332      8.86930725     -9.25370169
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  H     14.94195828     12.69190818    -11.35901630
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  H     16.37067462     12.29755664    -10.88821553
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  H     15.09511189      6.14943745    -11.98238134
  H     14.55665133      9.62509686    -10.90002563
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  H     14.91499146      8.25979746    -11.52583313
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  H     18.64014772      9.00015283    -14.89546708
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  H     12.05242316      9.30102494     -9.70617575
  H     16.85153185      9.11339384    -11.46585500
          69
 Energy    -248.04761268789534     
  O     -4.29341370      0.47311161      0.97580390
  H     -4.99449366      1.11012099      0.86823335
  H     -2.01900683     -4.60640509      0.66896445
  O     -3.10805215     -2.73977726      6.76665939
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  H      2.28265789     -0.28464717      3.47558486
  O     -0.94022703     -0.04293612      3.89643998
  H     -3.28933787     -3.65216000      6.51103095
  H      2.25804272     -1.73253065      2.96474397
  O     -3.69513570      0.36164134      3.58613271
  H     -2.21656688     -2.54781651      6.44275171
  H     -1.94632107     -2.25209589      1.74586074
  O      2.00556818     -2.38648334      6.03307110
  H     -0.17896869      0.51686555      3.70490800
  H     -1.38636124     -1.04518834      0.92938037
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  H     -1.05348412     -0.60760226      3.11502770
  H     -3.95118019     -3.57257196      2.53325098
  O     -0.66590031     -2.32135459      5.47138444
  H     -4.15354108     -0.15806299      4.25730643
  H     -2.47797169     -3.98433033      2.64773051
  O     -5.15866337     -3.55370429      3.82395830
  H     -2.75500176      0.33505197      3.80639988
  H      1.70691181     -2.36909146      0.76718803
  O     -1.80847063      0.26465875     -0.32893837
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  H      2.56302164     -1.73044816     -1.58837424
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  H      1.68688996      2.18052831      3.00131214
  O     -1.21407109     -1.62813117      1.67952983
  H     -0.75271971     -1.48077382      5.00226035
  H     -0.04217690      0.73780169      0.03185171
  O     -3.13411587     -3.65273313      2.01739194
  H     -5.21423788     -2.73545842      4.33301454
  H      1.30432902      0.00997070     -0.13976923
  O      1.35613154     -2.65538078      1.61987482
  H     -4.77795174     -4.20869046      4.42307452
  H     -3.30817739     -1.85482927     -1.57661108
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  H     -3.19905570     -1.56745210     -3.09386240
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  H     -2.64392648      0.48695234      0.10379116
  H     -4.30850519     -1.72622918      6.01905598
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  H      1.50075085     -5.79089575      2.31160311
  H     -5.63565503     -0.94283071      6.14061425
  O     -2.70044138     -1.56590537     -2.28158708
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  H     -1.06405315     -3.75115245      4.47406226
  O     -4.98790850     -1.24801662      5.51081197
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  H     -0.59245396     -4.85902063      3.47322681
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  O     -4.26597627     -2.14436772     -0.15014128
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  H     -3.98324054     -2.76074752      0.53397091
          69
 Energy    -248.04754735337247     
  O     12.78946053     11.06664099    -10.52502002
  H     12.73202791     10.58017045    -11.36069322
  H     16.08516896     13.84403525    -17.25995711
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  H     14.48352961     13.73441604    -10.84437744
  O     12.49688444      9.92047908    -13.04399203
  H     11.62658306     12.93021984    -13.90000260
  H     14.11660495     13.11823765    -12.22671989
  O     18.67741441     11.96326477    -13.12204937
  H     10.59402178     11.92668700    -14.46153533
  H     12.77901506     16.82383562    -14.74596598
  O     10.09541580     11.19550900    -10.00223947
  H     12.29327590     10.67403421    -13.61763991
  H     12.55889609     15.50071780    -13.98105827
  O      9.78169810      9.56162785    -12.33902855
  H     13.26850031      9.46772055    -13.40033802
  H     14.79060885     11.98263598    -14.52346343
  O     16.06115315     13.84119636     -9.90672601
  H     19.48853377     11.56920210    -12.81007712
  H     15.24774753     13.36614320    -13.98765965
  O      8.83360930     11.46401683    -14.02999024
  H     17.95266590     11.38762036    -12.82468555
  H     18.14277525     11.93537805    -14.95768330
  O     15.80889193     15.03089749    -14.41046568
  H     11.06354310     11.14955915    -10.07514761
  H     17.58132466     12.70308724    -16.17961304
  O     14.74248047     12.87997833    -17.68867157
  H      9.88251532     11.05908368     -9.08254541
  H     12.66568368     14.62880189    -15.98596431
  O     11.65624526     14.50102958    -12.83898920
  H     10.71161139      9.49867060    -12.59764046
  H     12.11034709     13.19445679    -15.94329835
  O     16.84854947     14.33670975    -16.90247588
  H      9.77909859     10.00125507    -11.47934308
  H     15.54645221      9.29740735    -13.31798797
  O     13.74278263     13.49346069    -11.41331128
  H     16.33876545     14.44218566     -9.22085685
  H     15.26289805      7.85386424    -13.79845177
  O     13.13175667     15.94466693    -14.63005979
  H     16.59670130     14.04719810    -10.69454907
  H     15.09890758      9.94480986    -15.39493971
  O     14.86910533     12.51675946    -13.72279237
  H      8.08772739     11.19014256    -14.55609208
  H     16.12517639     11.01528681    -15.87859600
  O     17.71807388     11.81969459    -15.81535623
  H      9.07755219     10.70836506    -13.46573037
  H     15.87931688     11.31368174    -12.84749557
  O     12.45228151     13.87109186    -16.54176008
  H     14.93655156     15.43384890    -14.50989683
  H     16.17266028     10.64883216    -11.46761080
  O     14.96320496      8.75609068    -13.87625681
  H     16.18270515     14.90042755    -15.29325275
  H      9.58155656     12.64555273    -11.17057846
  O     15.18422203     10.76922749    -15.88351922
  H     14.81258146     12.03297045    -17.23013534
  H      9.06001035     12.75836286    -12.61194429
  O     16.38805267     10.61221895    -12.41133607
  H     13.89739264     13.25948331    -17.40520867
  H     17.93349610     13.61728968    -12.53394712
  O      9.40145377     13.28011610    -11.87489961
  H     12.35203369     14.24101976    -12.21707483
  H     16.92174130     14.71843494    -12.93463166
  O     17.41328164     14.35231832    -12.18756492
  H     10.81116458     14.21204128    -12.46489039
  H     15.77256911     11.93375108     -9.72270223
  O     15.58424392     10.99264213     -9.83178354
  H     17.25524594     14.78689037    -17.63730643
  H     14.62379089     10.91087926     -9.89272873
          69
 Energy    -248.04751458656858     
  O     16.05095616     12.23480214     -9.79818887
  H     16.97904175     12.20468477     -9.53704223
  H     12.49664141     15.70839016    -14.94362327
  O     13.74680243     13.05192946    -16.08407901
  H     15.77072625     11.33126992     -9.99724655
  H     13.20851937     14.04611267    -11.39007407
  O     17.62907172      9.25992278    -12.33980691
  H     14.59559568     13.08348916    -16.54256645
  H     12.74070367     14.26532911    -12.85403677
  O     16.70720542     16.11924289    -11.11437958
  H     13.60291013     12.12537999    -15.85564627
  H     20.71924979     14.01267753    -13.88665769
  O     13.85602991     10.35112772    -15.23907943
  H     17.90696469     10.07035762    -12.79232098
  H     19.51228076     14.04450082    -12.91927447
  O     16.56544756      8.02380531    -14.55436800
  H     17.30471510      8.66933945    -13.03426802
  H     16.55938129     13.27618443    -18.15439987
  O     16.01643608     12.77972589    -12.55662119
  H     16.37441318     15.96641552    -12.01570374
  H     16.84284249     13.60343735    -16.66934219
  O     15.24959218      9.76104848    -10.91833775
  H     16.76563725     17.06498789    -11.00140517
  H     13.63802852      7.63616789    -13.37612072
  O     16.58350898     10.58922560    -15.83981921
  H     14.80359752     10.41346470    -15.43262084
  H     13.26840791      6.89307407    -14.67928246
  O     17.64090909     14.64892660    -15.53707870
  H     13.68420094      9.42555498    -15.02605845
  H     18.72972931      9.44578417    -10.95170738
  O     13.72366571     11.25645167    -12.61934522
  H     16.63164295      8.77503642    -15.15818484
  H     19.85327369      8.93387321    -10.03836496
  O     13.15390670     15.16988429    -14.51171147
  H     15.62712916      7.80615598    -14.50891846
  H     18.91523363     13.65246566    -10.63419410
  O     12.65136525     13.68081572    -12.09350845
  H     15.19921759     12.29174448    -12.72591351
  H     18.20198763     14.93793842    -11.14041269
  O     19.78707563     13.82304179    -13.82783391
  H     16.13597331     12.75252974    -11.59871532
  H     17.38619466     12.03555110    -13.33821891
  O     16.34847686     13.01036045    -17.26343478
  H     16.06868580      9.57772277    -11.39952142
  H     18.83596090     12.21236901    -13.84487121
  O     13.71036260      7.66970827    -14.34514616
  H     14.67007268     10.27475637    -11.50674038
  H     14.90902763     13.73693199     -9.83135471
  O     19.30868066      9.69685767    -10.21375383
  H     17.17600816     10.89746629    -15.13902476
  H     15.16669845     15.15459679    -10.35019622
  O     18.93871100     14.33862521    -11.31123937
  H     16.53037155     11.32050177    -16.46750692
  H     14.20399841      8.30558701    -11.25440317
  O     18.13183289     11.56357871    -13.74391927
  H     17.00881954     15.00943402    -14.90073995
  H     12.93051822      7.50886332    -10.94471627
  O     14.45928296     14.54366274    -10.11737273
  H     18.42468692     14.41340000    -15.02727734
  H     19.24552951     12.34709249     -8.50106600
  O     13.61160692      7.62161090    -11.60360251
  H     13.62526353     10.98824243    -13.54067722
  H     19.05046175     11.34192903     -9.65918581
  O     18.83318597     12.23993166     -9.35499924
  H     13.19992243     12.05506178    -12.44736722
  H     15.84404131     14.41595958    -13.21987545
  O     15.76792824     15.32460864    -13.55505779
  H     13.31912583     14.40694166    -15.09550917
  H     14.86728098     15.41688726    -13.88982611
          69
 Energy    -248.04748476477965     
  O     -3.45751348      0.25299476      3.62291041
  H     -3.40163838      0.36847539      4.58114677
  H     -0.36781249     -2.56713039      7.92651187
  O     -2.67516929      3.50472827      6.35429633
  H     -3.28532698     -0.68034734      3.41664157
  H      0.26641702     -0.21990407      6.38301530
  O      1.84933771     -2.26896882      2.41053953
  H     -3.17831900      4.21389111      6.74495437
  H     -0.33463567     -0.48546156      7.78665540
  O      2.10704376      0.49159260      1.34697541
  H     -2.61988375      3.69113388      5.39924360
  H     -0.79358234     -3.49812751      5.96937046
  O     -0.51422032     -0.41844867      0.83698310
  H      1.65768113     -1.99781612      3.31674268
  H      0.43917078     -2.57503581      5.78845367
  O     -2.70420466     -2.31621950      3.13848746
  H      2.22149618     -1.48633545      1.98993328
  H     -0.80060376      3.23426864      6.72603832
  O     -3.66869761      2.25706976      1.77241936
  H      2.03508746      1.39172483      1.00933652
  H      0.05131607      1.99578264      7.05821972
  O     -2.40368906      3.91763019      3.70799507
  H      1.25636621      0.09283156      1.11301551
  H     -2.49126830     -1.91721042      8.00408131
  O      0.21306148      3.18004681      3.13912577
  H     -0.61942795     -1.37544771      0.84914331
  H     -3.30781890     -0.97301295      7.09399069
  O      1.13136665      3.07872563      0.50151599
  H     -0.62620576     -0.12042685      1.75405349
  H     -0.40058013      1.46218451      3.35967439
  O     -2.63480686     -3.76086521      5.54948160
  H     -2.00976105     -2.65220781      2.56108424
  H     -1.65107156      0.53375193      3.55419263
  O     -0.69118037     -2.06275766      8.69605200
  H     -2.69056152     -2.86628877      3.93226558
  H     -0.44732374     -3.97444980      0.93975679
  O     -0.22442884      0.19033518      7.10625861
  H     -3.66549495      1.51210573      2.39808187
  H      0.33765559     -2.94345247      1.78228269
  O      0.04780072     -3.24092948      6.36807751
  H     -4.55032745      2.30264311      1.41024741
  H      1.44586939      3.20890229      5.79997662
  O      0.10814201      2.93959110      6.85304360
  H     -2.90788335      3.46296057      3.02365649
  H      2.75096946      3.97143593      5.46695475
  O     -3.25524932     -1.88271143      7.41439127
  H     -1.47181712      3.77522007      3.48932488
  H      2.74079865      1.62732134      4.43943242
  O     -0.69536171      0.54425369      3.42255169
  H      0.59117060      3.23464339      2.25247243
  H      2.69923360      0.74560384      3.16209713
  O     -0.54494267     -3.16778695      1.43879188
  H      0.92481614      3.31436620      3.77777610
  H     -1.13464787      1.15612633      0.14767010
  O      2.14643217      3.31583227      5.13027407
  H      1.39399725      3.72025198     -0.15262530
  H     -2.14511076      2.23408418      0.57780322
  O      2.91516150      0.73975325      4.10444932
  H      0.23391150      2.78285800      0.25963719
  H     -2.95161082      1.66195384      6.39533474
  O     -1.35261806      2.09471953      0.04732126
  H     -3.12138993     -4.56302297      5.72121797
  H     -1.95541642      0.49577592      6.51980736
  O     -2.87778041      0.70269865      6.31209447
  H     -2.93773043     -3.10504394      6.20268287
  H      1.80864016     -0.47575283      4.75299754
  O      1.01203725     -1.01912624      4.86673983
  H     -0.31705029     -2.46880464      9.47264975
  H      0.32432471     -0.57398000      4.34547209
          69
 Energy    -248.04742423019434     
  O     19.47239145     11.67013683    -19.27653122
  H     18.93627932     12.45841094    -19.47995747
  H     17.11346805     13.70640552    -19.10678558
  O     19.94420304     17.99833984    -15.21081099
  H     19.52486756     11.15984163    -20.08063439
  H     20.31947473     15.26822241    -17.27286351
  O     22.35618115     12.48085985    -15.38180179
  H     19.72702712     17.34653005    -14.53764154
  H     21.59390971     16.13298892    -17.42138606
  O     16.00538739     15.27444052    -13.77621071
  H     19.25434575     17.94914709    -15.89241886
  H     14.59188487     14.06836731    -13.79803803
  O     15.99844952     13.10916573    -17.67489899
  H     23.09655961     11.88900408    -15.28083939
  H     14.61602652     12.60787725    -13.32713759
  O     16.00215945     11.39353872    -12.72215777
  H     22.19528502     12.57305508    -16.33889306
  H     22.22729570     14.20544887    -14.58391096
  O     13.77538590     12.11662717    -16.28601948
  H     16.67409163     14.61391228    -13.54722638
  H     22.31978966     15.73136946    -14.84356787
  O     21.73517053     12.83732570    -17.98409818
  H     16.32608993     16.12389821    -13.44411812
  H     18.54220085     12.91709526    -13.71562507
  O     22.37700276     17.19721436    -16.11269162
  H     16.66031315     12.45789469    -17.40254867
  H     17.33048770     12.70277622    -12.79065824
  O     17.42960561     17.52507569    -12.99320718
  H     15.15493812     12.79883494    -17.32226840
  H     16.55896110     10.48977824    -15.86326168
  O     19.57080335     12.31625983    -15.08726298
  H     15.98712117     10.97183362    -13.60045045
  H     15.07110000     10.83070149    -15.65299169
  O     17.88637019     13.82025930    -19.67450823
  H     15.85673032     10.70165320    -12.08233407
  H     18.31650249     17.47980105    -18.04554394
  O     21.00171527     15.54554365    -17.90649373
  H     13.81871818     12.56993343    -15.42458348
  H     17.31883793     17.13252123    -16.94097231
  O     14.09621607     13.23927824    -13.83927141
  H     12.85251206     11.97023724    -16.47428223
  H     20.47827790     15.46396450    -13.51677037
  O     22.05139365     15.07042206    -14.19407384
  H     21.57156954     13.78377496    -18.09293126
  H     19.07458447     14.90598405    -13.09340196
  O     17.97936407     13.36313257    -13.06606366
  H     21.00951674     12.38491407    -18.43045551
  H     18.50998811     11.46013747    -16.25764006
  O     15.82486956     10.38816537    -15.24365502
  H     23.02632485     17.89492102    -16.09779820
  H     18.44490130     11.17639533    -17.77408394
  O     18.00881360     17.76766127    -17.17854171
  H     21.53855370     17.58547230    -15.80214374
  H     19.28182840     15.19180002    -15.20624966
  O     19.54369054     15.69705166    -13.39167205
  H     18.22237056     16.97036131    -12.95822134
  H     18.19077344     15.07073079    -16.29952688
  O     17.91933843     11.16328328    -16.96520768
  H     17.67630958     18.29473705    -13.50577481
  H     19.32842238     16.88068575    -20.36096013
  O     19.09131596     14.80624386    -16.07048025
  H     19.40364319     13.15522905    -15.54845894
  H     19.80339777     16.17195003    -19.07121062
  O     19.01607011     16.46627785    -19.55994582
  H     20.52915114     12.21494079    -15.06264962
  H     16.18908790     15.48964351    -15.56262372
  O     16.45406474     15.56199666    -16.49015818
  H     18.13819328     14.74986351    -19.64142041
  H     16.19400509     14.74261669    -16.93170825
          69
 Energy    -248.04722708895849     
  O     -1.35085818      3.68319137      2.43056194
  H     -0.71303091      2.97116575      2.29431522
  H     -0.64471194      8.27899401      0.58617325
  O     -2.87559003      5.75260010     -0.82515670
  H     -2.11166664      3.50325714      1.85998875
  H     -0.01740818      1.50481768      0.97599272
  O      4.44704331      6.68183053      1.28652287
  H     -2.80380509      6.41773586     -0.12940161
  H      1.33730275      2.20198457      1.08218043
  O      1.85327981      7.22583735      2.19390568
  H     -2.00714938      5.72562491     -1.25321135
  H      0.01251498      3.87585022     -2.13985841
  O     -0.28473448      5.59038252     -1.71734473
  H      5.28702275      7.12854497      1.22654999
  H     -0.28543319      2.43584133     -1.59597128
  O      2.24567865      3.45678383     -0.34744714
  H      4.15194130      6.50706044      0.37413482
  H      0.95506736      8.14683848     -1.19913677
  O      0.47709618      5.17611697      0.85518613
  H      2.78499836      7.09537861      1.97415519
  H      1.44867067      8.56405673     -2.60779528
  O     -2.32100369      7.60532913      1.26144610
  H      1.70861939      6.89107033      3.08866806
  H     -2.70188010      1.13325960     -3.02176598
  O     -1.27520512      1.49712289     -0.39058673
  H     -0.05634048      5.49696599     -0.77684659
  H     -3.79923524      0.91994073     -1.96890701
  O     -1.42559220      6.23832712      3.44498002
  H      0.21084943      6.35377916     -2.03554390
  H      2.76455854      3.63721514      3.13918665
  O     -3.23793529      3.30565529      0.46591948
  H      1.74645734      3.13247757     -1.10609000
  H      1.48898773      2.79298303      3.27136741
  O      0.24677215      8.54240799      0.33028826
  H      1.65136286      4.05744336      0.13397129
  H     -3.36161808      3.72598179     -3.29188608
  O      0.62564937      1.83917111      1.61935678
  H      0.92068214      5.88908457      1.33100033
  H     -3.76037587      4.80395364     -2.24722485
  O      0.19343860      2.93261136     -2.27740274
  H     -0.15165180      4.75518603      1.45277742
  H     -1.69538110      2.56378416     -4.95163612
  O      1.34493631      7.81413108     -2.02890322
  H     -2.94070152      8.26373973      1.56757514
  H     -1.12829231      2.72062669     -3.52579566
  O     -2.98560493      0.53526994     -2.31942230
  H     -2.00259485      7.14027263      2.05530087
  H      1.43902764      6.02524974      5.50098403
  O      1.97113899      3.51412022      3.68342721
  H     -1.77085425      0.94795951     -1.01427822
  H      1.43815450      5.05105916      4.30087034
  O     -4.11251832      4.11718763     -2.82740275
  H     -1.91246536      2.14600140     -0.06171877
  H      4.27761192      4.82332341      1.74857835
  O     -1.95010684      2.64144981     -4.03502360
  H     -1.53646791      5.29958239      3.23421230
  H      3.60799080      3.64152235      1.02715519
  O      1.19720882      5.95273107      4.58172333
  H     -0.59449879      6.28185441      3.93043644
  H     -6.08317121      2.06626571     -1.31839955
  O      4.01222078      3.90306834      1.86353865
  H     -3.14336652      4.16523244      0.03054189
  H     -4.87471391      2.85980201     -1.87574761
  O     -5.13464531      2.14489567     -1.26609740
  H     -3.97360431      2.85412613      0.03483018
  H      2.72697169      6.62148099     -1.49674567
  O      3.41272218      6.04974967     -1.12959190
  H      0.82752610      8.24013766      1.04282008
  H      3.04828217      5.15960870     -1.07980221
          69
 Energy    -248.04714692212599     
  O     17.68541838      8.26297272    -13.88876472
  H     18.13498770      8.27204410    -13.02972862
  H     18.08773397      6.77031785     -8.94107830
  O     11.95701376     10.69370836    -11.18099151
  H     18.13320703      8.91651004    -14.43930854
  H     14.73666062      9.44173711    -11.68817993
  O     11.58319625      9.05857201    -13.27035866
  H     11.16420003     10.72711933    -10.65279338
  H     13.55653461      9.80528302    -10.75279742
  O     16.06101351      6.01893959    -13.46632553
  H     11.77027709     10.10748761    -11.93888740
  H     20.15500450      5.48701191     -9.99664975
  O     18.86473892      8.46632867    -11.40704051
  H     11.58370654      8.09973923    -13.16847099
  H     18.74559839      5.49134605    -10.64000483
  O     19.59065052     10.98244802    -12.38522447
  H     12.16624783      9.23778658    -14.02258308
  H     15.70871860     11.38311071    -13.00059319
  O     16.93434510      9.62843539     -9.75737523
  H     15.44918696      6.32901993    -12.78377616
  H     14.91270765     12.66428124    -12.66732418
  O     12.02625242      6.25175417    -13.01712618
  H     16.64542933      6.75601637    -13.69300388
  H     16.71071081      4.68020265    -10.71230804
  O     14.77757252     10.95285359    -16.99074872
  H     19.17156197      7.64499494    -11.00527295
  H     17.01655130      5.00053429    -12.19077071
  O     13.85924442      6.54075551    -15.23767434
  H     18.17578543      8.82829873    -10.83126933
  H     14.71809734      9.53431663    -13.97150389
  O     13.50924373      9.27315118    -15.24268626
  H     19.53381634     10.09130523    -12.01262571
  H     16.17540085      9.17517816    -13.52651744
  O     17.27168674      7.08222823     -8.52957695
  H     19.00998655     11.52230731    -11.83664811
  H     19.27322828     10.74562714    -14.08849325
  O     14.38409402      9.31312574    -10.79084911
  H     17.17661346     10.54246695     -9.95129306
  H     19.81687185     10.55338277    -15.52412387
  O     19.39366587      6.03687199    -10.15789921
  H     16.00880762      9.52725418    -10.02318605
  H     17.53694972     11.61064484    -15.37152132
  O     15.80963878     12.32449054    -12.78996737
  H     11.53742281      5.46859711    -12.77774292
  H     16.46285385     12.39780724    -14.59601315
  O     17.40960920      4.65797425    -11.37713896
  H     12.76948942      6.32117567    -12.39387385
  H     14.22168907      7.54522376    -11.10977239
  O     15.37939059      9.65945143    -13.27659437
  H     14.85917478     11.25177250    -17.89212248
  H     14.55664726      6.09696083    -10.64791881
  O     19.02405300     10.49698139    -14.99687169
  H     15.47734933     11.40696684    -16.49243048
  H     17.65651083     13.06491750    -10.29696919
  O     16.74364353     12.14860217    -15.48480086
  H     14.67163385      6.25088907    -14.80445078
  H     16.94668286     12.32595190    -11.45552538
  O     14.19728084      6.61626095    -11.37826341
  H     13.15214599      6.34281068    -14.61134409
  H     12.70925756     12.18700550    -12.00046362
  O     17.59167238     12.21974238    -10.73434498
  H     13.66803507      8.33459575    -15.42461307
  H     12.56470912     13.08234664    -13.23670097
  O     13.12678750     12.91588431    -12.48191222
  H     13.89307857      9.81131299    -15.94898817
  H     16.06872435      5.90583365     -8.97622345
  O     15.46567319      5.22582368     -9.32755441
  H     17.16927668      8.00597082     -8.79163148
  H     15.19475563      4.68930461     -8.58776323
          69
 Energy    -248.04705263313144     
  O     -5.88638373      3.45930708     -1.43906077
  H     -6.71129332      3.92297290     -1.55858059
  H     -3.48801538      1.07604747      1.22214752
  O     -1.59498802      2.23193890     -3.89503628
  H     -5.70507848      3.45896752     -0.48387107
  H      0.32245684      2.86810280      1.39900632
  O     -5.28786897      3.35041321      1.25977102
  H     -2.20586413      2.83106067     -3.43018980
  H      1.07732753      2.53499479      2.70250862
  O     -2.45281592     -1.30318434      2.87952993
  H     -1.55707175      2.53823394     -4.79827681
  H      0.64788232      2.99462126     -0.98995967
  O     -0.49368405     -0.28783350     -0.80367231
  H     -5.06156727      2.47383847      1.59742301
  H      1.59925109      3.77851381     -0.04519250
  O     -2.99622008     -0.26404743     -3.44307757
  H     -4.65723790      3.93653715      1.68344815
  H      2.85572611      0.27148017      0.57161205
  O     -3.28443772     -2.40360464      0.58016960
  H     -2.72009460     -1.76499767      2.06193233
  H      1.83900804     -0.24521914      1.62445640
  O     -1.99366742     -2.30609049     -1.97822445
  H     -2.59581577     -1.91155827      3.59955994
  H      2.95275485      1.44595697      2.52248909
  O      0.64704058      1.66925718     -2.26162986
  H     -0.31321465     -0.40376257      0.13939408
  H      3.49448494      2.21678771      3.75216308
  O     -0.04189699     -0.24456630      1.89550594
  H     -0.91312786     -1.08453649     -1.15163177
  H     -5.43958647      1.65970005     -1.81067585
  O      3.14353994      1.08964434     -1.16612090
  H     -2.48451519      0.52733749     -3.64571428
  H     -4.13266520      1.01326807     -1.32090633
  O     -3.94023091      0.97162728      2.07711412
  H     -3.81178555      0.04960679     -3.02759917
  H     -2.95013309      2.60235120      2.58857284
  O      0.20397390      2.51162961      2.29129266
  H     -4.14812518     -1.98192219      0.45525123
  H     -1.52497628      3.17215147      2.64788776
  O      0.66774978      3.61746569     -0.25145100
  H     -2.87820847     -2.45654235     -0.29085142
  H     -5.51257084     -0.34205406     -0.43070973
  O      2.75595746      0.03375719      1.50158806
  H     -1.83704255     -3.07111456     -2.52496310
  H     -5.26213461     -0.23119845      1.07909675
  O      2.93132641      2.30199789      2.98793959
  H     -2.37905437     -1.62115829     -2.55473069
  H     -1.92147270      0.83386420     -0.53012712
  O     -4.95896804      0.82433729     -1.79512973
  H      0.28041181      0.91785032     -1.76636912
  H     -2.41500055      2.31238110     -0.33548304
  O     -2.45424815      3.42913706      2.56157017
  H     -0.02563086      1.91502719     -2.90763421
  H     -1.04124867      4.13303826     -0.17961512
  O     -5.56456502     -0.83993369      0.39699834
  H     -0.81278128     -0.62917833      2.32975533
  H     -2.21008071      4.03427822      0.84154796
  O     -2.68335634      1.38531159     -0.31681535
  H     -0.04257875      0.70572988      2.08305709
  H     -4.18814483      3.80114451     -2.31360811
  O     -2.00618402      4.12983393     -0.09843963
  H      3.76662647      0.75751813     -1.80874704
  H     -2.82111609      4.17090555     -1.72452261
  O     -3.26033005      3.91266756     -2.54790206
  H      2.33057645      1.29581895     -1.65362249
  H      3.31986227      3.22677042      1.32701743
  O      3.32834897      3.51955712      0.40709414
  H     -3.50382631      0.23375361      2.51926943
  H      3.43948376      2.71969617     -0.12258360
          69
 Energy    -248.04699813213318     
  O     18.06098860     11.04133450    -18.45550178
  H     18.17313377     10.24360611    -18.98505991
  H     17.00921510      7.22884231    -11.72648815
  O     14.66981286      6.59070907    -13.72133028
  H     17.14546866     11.02040196    -18.15017635
  H     20.81885987     10.34652732    -16.14521385
  O     16.97458771     13.29267860    -12.15371243
  H     15.46519853      6.45746798    -13.17041682
  H     20.78053686      8.87074886    -16.59673352
  O     21.16832304      8.16745720    -13.61832735
  H     13.98825937      6.02863075    -13.36411187
  H     18.40717040      8.71567260    -16.23328730
  O     15.68733078      8.15157388    -18.53397839
  H     17.51868019     12.98264610    -12.89066567
  H     18.10642641      9.09424788    -14.76476417
  O     13.96915547     11.35254042    -11.39843104
  H     16.10480914     13.47226348    -12.53002158
  H     15.41339000     10.98255891    -16.65070957
  O     14.87419294      9.35647678    -13.14784284
  H     21.25334683      8.64274485    -14.46506370
  H     14.65859579     11.41037085    -17.92709432
  O     18.24717891     12.07453199    -14.33268634
  H     22.04416185      8.10425598    -13.24783361
  H     16.87710019      9.88469981    -10.73956605
  O     19.21639137      6.06152838    -13.70097266
  H     15.47863388      9.03498607    -18.20276450
  H     16.22551032      9.17000251    -11.94165794
  O     18.46531868      5.46567697    -16.43826663
  H     15.71075383      7.57760918    -17.75673985
  H     16.76399794     12.01294039     -9.24935137
  O     16.08193747      6.78472478    -16.11634103
  H     14.13348152     10.57481269    -11.95093729
  H     16.75196583     12.22085969    -10.78170132
  O     16.89281038      6.41694742    -12.23356548
  H     14.72331697     11.41093309    -10.79881473
  H     19.69187432      9.17711045    -13.15638841
  O     21.20751667      9.48085155    -15.97690942
  H     14.71421960      8.46067723    -13.46640952
  H     18.31205980      9.42936371    -12.44547734
  O     17.69137810      8.87469809    -15.60693286
  H     15.14862052      9.91093748    -13.88979663
  H     13.62012638     13.94687001    -13.25972104
  O     15.33640343     10.82064064    -17.60543993
  H     18.53466008     11.27482097    -13.86384804
  H     14.09043448     12.64536277    -12.56608746
  O     16.95080102      9.10377068    -11.30131948
  H     18.80376415     12.13969968    -15.11701058
  H     19.32594680      6.94424129    -17.18572238
  O     16.51258794     11.59948692    -10.07067306
  H     19.92831665      6.71198006    -13.69820809
  H     19.17200265      7.99363321    -18.32259482
  O     18.88798400      9.70931199    -13.16894945
  H     19.04938948      5.84462168    -14.62488060
  H     16.52759264     11.60367858    -14.79085129
  O     14.31360363     13.29335264    -13.25910851
  H     18.36533352      4.55642665    -16.70821703
  H     15.09560579     12.11030775    -14.46582376
  O     19.62168427      7.81292322    -17.48735608
  H     17.56923842      5.83177023    -16.34231796
  H     20.35191565     12.65241431    -17.05071987
  O     15.58743420     11.43185092    -14.94561424
  H     15.49884995      6.62147003    -15.36677138
  H     19.22922329     11.62225811    -17.30712926
  O     19.86275852     11.94333376    -16.64082099
  H     16.61002184      7.57220312    -15.89118648
  H     18.05289938      8.24330139    -20.65541194
  O     18.08810499      8.47932974    -19.73292344
  H     17.72516158      6.25778253    -12.70319828
  H     17.20363709      8.30572265    -19.36154757
          69
 Ord_Energy   -248.046906    
 O   -5.11219835      -9.73965263       7.95032883    
 H   -5.20948839      -9.43263817       7.03577995    
 H   -5.86467505      -9.38818836       8.44936752    
 O   -10.2761459      -7.68521023       5.25471735    
 H   -10.9693213      -7.64330387       5.92179728    
 H   -9.48611927      -7.97630644       5.73907709    
 O   -7.47526693      -8.82958889       9.18135452    
 H   -7.84552002      -8.74889946       8.28762245    
 H   -7.46696615      -7.94736147       9.57073116    
 O   -3.43938732      -7.73277521       8.92756653    
 H   -2.51692414      -7.97229290       8.96658897    
 H   -3.90609217      -8.52046871       8.60911465    
 O   -9.65467262      -11.2369881       5.56842995    
 H   -8.96388817      -11.8955984       5.42348766    
 H   -9.81538391      -10.8129940       4.71523237    
 O   -6.67053747      -12.0960379       7.62962008    
 H   -6.01490211      -11.3982229       7.75611830    
 H   -7.35587406      -11.9449120       8.29085636    
 O   -6.19501400      -6.51793575       4.06439352    
 H   -5.89674568      -5.81005621       4.65020418    
 H   -7.13371563      -6.35031462       3.89977145    
 O   -8.55898380      -4.61556578       6.00567436    
 H   -7.60085869      -4.50420237       6.03689766    
 H   -8.75530148      -4.88400602       5.10118818    
 O   -5.68318796      -4.53009605       5.94798946    
 H   -5.18035316      -3.72043514       5.94283915    
 H   -5.50691223      -4.96453953       6.80288029    
 O   -7.53808451      -6.18036509       9.99436378    
 H   -7.70790482      -5.67342472       10.7829132    
 H   -8.29281521      -6.03209782       9.39271259    
 O   -9.55140591      -5.89568520       8.26780701    
 H   -10.2682571      -6.50144672       8.05797195    
 H   -9.29012871      -5.44504595       7.45063877    
 O   -5.27846336      -5.72557831       8.30715561    
 H   -4.59584951      -6.36603880       8.54764366    
 H   -6.01139832      -5.85108948       8.92028618    
 O   -5.73682308      -8.90936375       5.37200642    
 H   -6.03626823      -9.53747940       4.70009136    
 H   -5.79124451      -8.02925491       4.97341204    
 O   -6.35750771      -8.27450752       1.83003795    
 H   -6.37884665      -9.13447857       2.26855397    
 H   -6.11232805      -7.63299227       2.51056719    
 O   -8.95402336      -7.75062609       1.23367774    
 H   -9.11357594      -7.62138224      0.302884340    
 H   -8.00023270      -7.92134809       1.33568752    
 O   -8.91988850      -6.02707720       3.53052878    
 H   -9.01306725      -6.44869614       2.66885257    
 H   -9.48046398      -6.53588200       4.13662720    
 O   -11.6622915      -7.82623386       7.66747999    
 H   -11.3904877      -8.74677086       7.82850122    
 H   -12.5457354      -7.73873806       8.01546001    
 O   -10.8606596      -10.4324951       7.97717190    
 H   -10.6096964      -10.8119049       7.12395906    
 H   -10.2004042      -10.7538233       8.60198307    
 O   -8.61960602      -11.2609224       9.58838177    
 H   -8.61367798      -11.5511866       10.4972715    
 H   -8.21089363      -10.3774853       9.57341862    
 O   -8.23898220      -8.93564892       6.55172777    
 H   -8.64523602      -9.78287601       6.32790899    
 H   -7.37006807      -8.90171623       6.13049555    
 O   -6.97058058      -10.5291615       3.48446012    
 H   -7.88028955      -10.2037859       3.42920399    
 H   -7.01311636      -11.3823261       3.93403816    
 O   -7.35015726      -12.8039999       5.12548780    
 H   -7.04649830      -12.5948429       6.02804184    
 H   -7.20023489      -13.7358999       4.99241877    
 O   -9.65424824      -9.56493378       3.30139351    
 H   -9.97035980      -8.92257786       3.95452213    
 H   -9.53508091      -9.06135368       2.48689461    
          69
 Energy    -248.04689528666262     
  O     17.67419450      8.49745502    -12.48331492
  H     16.88447158      9.03621533    -12.64239362
  H     13.36433287      9.61707169    -15.31002878
  O     11.79461122     11.92366889    -11.65833256
  H     18.31550606      9.08740223    -12.06680942
  H     13.16126202     11.00569684    -10.83064528
  O     18.93435186      7.98718218    -14.86720426
  H     12.32891659     12.26338120    -12.40001966
  H     13.76429901      9.63847991    -10.32284202
  O     11.33772404      9.47086066    -13.02531087
  H     11.22664476     12.63443567    -11.37506977
  H     19.14624257      9.59873357     -9.93777930
  O     16.11102245      6.74748578    -10.98428221
  H     19.27017599      7.09651507    -14.92288568
  H     17.84071884      9.80561431     -9.16212663
  O     19.43580349     10.49175650    -11.57094031
  H     18.46816725      8.05909155    -14.01633696
  H     16.68827360     12.74085155    -12.56174495
  O     16.25892654     10.86862895     -9.11231559
  H     11.35483049     10.27935484    -12.49918581
  H     16.79139903     12.53717837    -14.11319319
  O     11.87341794      7.07628024    -11.86586807
  H     11.71166424      9.71383733    -13.88056241
  H     18.16083943      6.30601794     -8.04014888
  O     16.91387803      9.47515430    -16.16665321
  H     16.57763199      6.59127288    -10.15341099
  H     18.04177229      7.64881314     -8.80025535
  O     14.30093414      6.30399345    -13.20239932
  H     16.69870265      7.31232511    -11.50590693
  H     15.72735388     10.95857910    -13.09921063
  O     14.62624809      8.47561578    -14.86604409
  H     18.87528682     11.25571346    -11.38849365
  H     14.89509778     10.16857822    -12.06265124
  O     12.70178393     10.32370657    -15.39588633
  H     19.75252770     10.58643049    -12.48153487
  H     19.79257224      9.70889986    -14.56901493
  O     13.97274856     10.54778921    -10.58483421
  H     15.46315796     10.89077245     -9.66479747
  H     19.30929560     11.16034054    -14.70482213
  O     18.62433267      9.24241108     -9.20873699
  H     16.04957794     10.19973350     -8.44371624
  H     17.41805953     11.09944337    -15.81801798
  O     16.17694338     12.67366840    -13.37809735
  H     11.65628668      7.92228344    -12.29610696
  H     17.92826162     12.45558724    -16.36071866
  O     17.56664460      6.82893233     -8.57121096
  H     11.06522456      6.57158380    -11.82942121
  H     14.57614932      7.50313638    -10.31984857
  O     15.46926351     10.06748968    -12.83264521
  H     17.62436203      8.89312502    -15.86699021
  H     13.03844151      7.54602375    -10.49253924
  O     19.96861132     10.60872198    -14.26688343
  H     16.09480157      9.07085618    -15.85338064
  H     17.89862907     13.32419029    -10.40104004
  O     17.77441550     11.96785378    -15.55539391
  H     13.44698244      6.47005787    -12.78347208
  H     17.11506076     12.01102340    -10.20948669
  O     13.76427727      7.88579894     -9.95462883
  H     14.94449689      6.28387202    -12.48375360
  H     14.28803815     12.75560672    -13.67990657
  O     17.57272855     12.55820962    -10.86955639
  H     14.50263834      7.61318418    -14.44687341
  H     13.20564348     11.90486961    -14.40130124
  O     13.33623180     12.62283196    -13.76871100
  H     14.90390652      9.06769129    -14.14797528
  H     14.73058583      8.33770081     -8.30911227
  O     15.45119047      8.60863478     -7.72619431
  H     12.40207118     10.30993860    -16.30140884
  H     16.13473841      7.93731987     -7.84118367
          69
 Energy    -248.04687102726666     
  O     -3.66669604      0.52871167      0.39284580
  H     -4.04927517      0.17938556      1.21104187
  H      1.11126400     -4.02600463     -0.41975578
  O     -3.80379386     -2.23027414      6.66701231
  H     -3.66663036     -0.21306814     -0.22102515
  H     -0.31821977     -5.61603359     -0.07000972
  O     -1.60138124     -0.44779695      3.30794713
  H     -3.96505106     -3.17833712      6.58243736
  H      0.14274584     -6.31059573      1.22462432
  O     -4.29553427     -0.76989722      2.77852887
  H     -2.87904380     -2.08794526      6.42597928
  H      1.70703174     -0.69099976      1.95265320
  O      1.55467309     -2.22842328      5.04561836
  H     -1.21557183     -1.17690184      2.79575208
  H      2.34336875     -2.07571190      2.08003705
  O     -4.38678957     -4.94423569      5.91356272
  H     -1.44837450      0.36261154      2.80897003
  H     -1.38998975     -3.37157826      1.93070909
  O     -1.21806548     -1.98821501      5.53473974
  H     -4.83334447     -0.79447005      3.57852604
  H     -0.86335043     -2.29677516      0.93181429
  O      0.91241834     -4.98575249      4.58606572
  H     -3.37139553     -0.66619946      3.04798371
  H     -2.27679327     -4.85411630      3.06361079
  O     -5.84815527     -3.80956579      3.91622421
  H      2.26860876     -1.96405303      5.62067990
  H     -1.91946687     -5.37946315      1.62153495
  O     -1.45788803      1.69776798      1.47692794
  H      1.74061698     -1.82730095      4.17836224
  H      0.91458383     -3.31394244      1.57318425
  O      1.67844684     -6.25359833      2.35581082
  H     -4.87715230     -5.64718616      6.33058627
  H      1.84585544     -4.55950453      1.62455203
  O      0.58750398     -4.25309778     -1.20802891
  H     -4.93038621     -4.62168319      5.17247287
  H     -4.44153242     -2.33972547      1.88538618
  O     -0.62894116     -6.15875780      0.66341911
  H     -1.41972924     -1.34996541      4.83429838
  H     -3.85897456     -3.77408715      1.62184519
  O      2.18342927     -1.26124120      2.57264169
  H     -0.25578655     -2.06423877      5.53089556
  H      0.05058435      0.74505086      0.84147601
  O     -0.78859619     -2.62172652      1.84032787
  H     -0.04380885     -4.99479959      4.72768570
  H      0.25931295     -0.49235700     -0.03844531
  O     -2.49677061     -4.78609677      2.12448791
  H      1.20157168     -4.07998550      4.74927185
  H     -1.83146079     -1.94037893     -1.00319764
  O      1.73859493     -3.68855603      1.22157783
  H     -5.97059940     -2.91444824      4.25784763
  H     -0.46451202     -2.68563522     -1.13338170
  O     -4.55874791     -3.15146208      1.36831039
  H     -5.57319230     -3.71319110      2.99794435
  H     -6.39412181     -0.70516114      5.62705778
  O      0.70968583      0.08792961      0.58683033
  H     -1.56556869      2.64441697      1.50738228
  H     -5.06363437     -1.49251774      5.71972392
  O     -0.88367782     -1.86938615     -0.83011893
  H     -2.23264970      1.34160186      1.00687991
  H     -1.67032758     -3.69997305      5.03057597
  O     -5.76123203     -1.19395637      5.10862005
  H      1.41464914     -5.85728856      3.20710718
  H     -2.67635575     -4.86183370      5.25343440
  O     -1.84826513     -4.62740141      4.81624845
  H      2.29266611     -6.95382445      2.55667309
  H     -4.28856706     -2.22673428     -1.72141568
  O     -3.69524620     -2.02196754     -1.00276130
  H      1.21026075     -4.47888365     -1.89478408
  H     -4.04359599     -2.47913343     -0.21908589
          69
 Energy    -248.04670357789411     
  O     14.96118728      9.81109309    -15.32262499
  H     15.34825504      9.63098165    -16.18955403
  H     18.90098223      8.87802006    -16.03762093
  O     17.54540817      5.98043366    -11.99281061
  H     15.28086523      9.12288792    -14.72553679
  H     17.41875029      7.18593021    -15.95835715
  O     19.91024332      6.20640193    -17.81371532
  H     16.94005611      6.68341946    -12.25894520
  H     17.23389032      5.71200352    -15.51978912
  O     17.60774533      4.62524431    -18.45836292
  H     18.40458046      6.21912788    -12.37216943
  H     13.31097164      8.76702869    -15.27601569
  O     13.37555646      5.48521255    -10.23791914
  H     19.20489500      5.68803901    -18.21911361
  H     12.80040967      7.66695138    -14.31597208
  O     14.07297222      4.33528423    -14.19741164
  H     19.50271667      7.04451078    -17.55040331
  H     14.80274393      2.37390893    -11.42306318
  O     15.89069329      7.85929452    -13.27418473
  H     17.50501642      3.84226042    -18.99487046
  H     15.74662374      1.25212531    -10.92332699
  O     17.98091432      4.03961958    -15.76672641
  H     17.66151163      4.32277394    -17.53694457
  H     13.63802972      6.67823727    -16.11956913
  O     13.24471459      3.07153452    -11.81394620
  H     13.00270834      5.69619016     -9.38628387
  H     15.13282186      6.24107635    -16.14539358
  O     19.53594812      9.51298270    -14.43682059
  H     14.31444299      5.27224107    -10.08995455
  H     20.10101907      6.24266161    -14.07493537
  O     20.58804890      5.04107208    -15.47049388
  H     14.05303362      4.73836411    -15.07535567
  H     19.74378835      7.70540975    -13.72183137
  O     18.53676143      8.38127508    -16.78196621
  H     14.99373697      4.12086707    -13.99531488
  H     16.47106134      3.05025294    -12.69586657
  O     16.82585870      6.58533392    -15.48868037
  H     16.24771212      7.35282202    -14.02221922
  H     17.02416898      4.48707630    -12.89474153
  O     12.75723585      7.97788943    -15.22926333
  H     15.01777431      7.50425841    -13.05321885
  H     16.62495644      5.20261378    -10.55101584
  O     15.73462119      2.14735469    -11.24971296
  H     18.90494195      4.25526369    -15.57993130
  H     16.00869597      3.81375866    -10.28612672
  O     14.24362101      5.99090354    -16.43778844
  H     17.57022465      3.74568100    -14.94104026
  H     15.00165769      6.44061348    -18.08471624
  O     19.76178326      6.80813328    -13.37078899
  H     13.11306961      3.84381835    -11.25007787
  H     16.36128774      6.08542059    -18.70473648
  O     16.70738920      3.70279601    -13.36670004
  H     13.34069227      3.41366815    -12.71348891
  H     13.34084910      6.39392752    -11.86208623
  O     15.98132758      4.73545737    -10.00195860
  H     18.71563059      9.87333149    -14.05684254
  H     13.63305787      5.85346186    -13.27996083
  O     15.68027898      6.76782211    -18.69203879
  H     20.22795210     10.13991675    -14.24205649
  H     16.46786117     10.63072767    -14.12406064
  O     13.47529682      6.66676024    -12.77765845
  H     21.45223741      4.63885281    -15.49637411
  H     16.77450252      9.50845954    -13.14299341
  O     17.13183820     10.33908976    -13.48990287
  H     20.45085830      5.47554244    -16.33181974
  H     15.96746173      8.42275527    -18.21998990
  O     16.15361448      9.31795271    -17.88325110
  H     17.81471261      8.88415853    -17.18027936
  H     15.93822892      9.92470352    -18.58708674
          69
 Ord_Energy   -248.046585    
 O   0.226871043      -2.18348217     -0.312213629    
 H   -2.16369499E-02  -3.05307198     -0.644054472    
 H   0.995284259      -1.92283690     -0.844817340    
 O   -1.34792924       1.47160816      -2.98627043    
 H   -1.26487005       2.21828294      -2.37897921    
 H   -1.61482191      0.710224330      -2.45303488    
 O    4.91021919       1.59484613      -2.86598587    
 H    4.58699560       2.49221945      -2.72017908    
 H    4.42854404       1.26186347      -3.63316679    
 O    4.34518814      -1.92748904E-02 -0.684193254    
 H    4.65262794      0.538797915      -1.41419709    
 H    3.75658655     -0.672154844      -1.08262920    
 O   -1.82656121      -2.48727345      -3.31179643    
 H   -2.04963946      -1.83910775      -2.63230324    
 H   -1.38666999      -3.21359372      -2.85292339    
 O    1.87000310       3.05994868     -0.627608478    
 H    2.56903887       3.51526284      -1.11682105    
 H    2.28049135       2.52902555       6.72139823E-02
 O    2.25229526      -1.40306354      -1.95329273    
 H    2.25803423      -1.78528202      -2.83718061    
 H    1.94137418     -0.490962267      -2.07619929    
 O   -1.86782587       1.40924406      0.817337513    
 H   -2.40744948       1.49044597       1.59924960    
 H   -1.04190052      0.967591405       1.09031141    
 O  -0.574852049      -1.72654176      -5.58416367    
 H  -0.954151213      -2.22461748      -6.30418301    
 H   -1.06255352      -1.98367012      -4.78151703    
 O  -0.862214565       3.37590241     -0.956938684    
 H    9.04013291E-02   3.33872247     -0.779551208    
 H   -1.28364146       2.80721402     -0.301105440    
 O    3.74501872       4.17525530      -2.35498118    
 H    4.26497746       4.97412062      -2.35514736    
 H    3.09536409       4.26252222      -3.07806420    
 O   -1.91925192     -0.597748578      -1.20874238    
 H   -2.09234166       4.69463915E-02 -0.512334943    
 H   -1.16762722      -1.12527287     -0.900493741    
 O    2.09022141      -1.99987984      -4.73306704    
 H    2.53244781      -1.14899337      -4.85660696    
 H    1.18673933      -1.88611507      -5.05909014    
 O    1.55550969       2.48250818      -6.39327002    
 H   0.729114711       2.01742244      -6.16754150    
 H    1.49126256       2.72894835      -7.31173944    
 O    1.86628246      -4.50373793      -3.58855534    
 H    2.73364353      -4.89309072      -3.50064397    
 H    1.99546564      -3.68810964      -4.09777117    
 O    2.97109056       1.26699281       1.21955323    
 H    3.51795244       1.39902747       1.98909235    
 H    3.51387024      0.785449743      0.567868412    
 O    2.99489975      0.660107851      -4.78780603    
 H    2.45013928      0.849742353      -4.00723410    
 H    2.66569233       1.25435841      -5.47252226    
 O  -0.657883167       1.12311411      -5.65783596    
 H  -0.642243445      0.159793228      -5.70246601    
 H   -1.00878680       1.33780468      -4.78265524    
 O    1.38948798       1.09361768      -2.56543255    
 H   0.457548559       1.18982160      -2.79335070    
 H    1.59994543       1.77569818      -1.91687536    
 O  -0.649020195       5.00130463      -3.21670246    
 H  -0.797364533       4.55865860      -2.36781073    
 H   -1.51655757       5.16586590      -3.57966709    
 O   0.389495045       6.20084293E-02   1.41618359    
 H   0.406116873     -0.793238997      0.967699707    
 H    1.28414571      0.420497358       1.38000548    
 O    1.86920774       4.35467196      -4.25427294    
 H   0.986166477       4.60971403      -3.95334053    
 H    1.75465477       3.75676584      -5.00107574    
 O  -0.320925057      -4.47789001      -1.91513860    
 H   0.461161196      -4.51824284      -2.49157763    
 H  -0.600678623      -5.37827826      -1.77000809    
          69
 Energy    -248.04643555680894     
  O     17.35246275      9.96492537    -15.13800326
  H     17.35283897     10.92143686    -15.27480385
  H     13.71862609     11.58796218    -10.63602472
  O     15.10958054      8.92139653     -9.33272701
  H     17.06266828      9.85795531    -14.21737449
  H     18.44067777      5.00143542    -14.58405158
  O     17.26714420     12.68921125    -14.78251525
  H     15.61229404      9.71641708     -9.12084516
  H     18.39059069      5.33684697    -13.08055663
  O     12.65306583     10.06358417    -10.18041967
  H     14.22408299      9.23670076     -9.55578270
  H     15.77502745      7.82446675    -10.56671325
  O     15.03424942      8.51683277    -15.55371274
  H     18.01349189     12.71740362    -14.17135826
  H     15.48423838      7.12525360    -11.95212276
  O     19.29145044      8.12235437    -14.67247448
  H     16.47942227     12.90252952    -14.26698157
  H     17.80033806      5.96920537    -16.43767506
  O     20.77312781     10.07568672    -13.30904547
  H     11.80657649     10.07925229     -9.74210394
  H     19.14542157      5.51808115    -17.05621132
  O     18.77050077      7.00349972    -12.15372701
  H     12.53482954      9.54581002    -10.99670000
  H     15.61312413      6.89156544    -16.33845923
  O     12.49482873      8.73185129    -12.51764415
  H     15.90451169      8.94029230    -15.59117565
  H     15.72576120      5.42491108    -15.86670747
  O     14.82352258     13.23081287    -13.30706308
  H     14.46070784      9.20982052    -15.20302862
  H     17.03116102     10.38730033    -12.00807152
  O     14.05811568     10.56827512    -13.89163478
  H     19.21957829      7.38122132    -15.28518272
  H     16.32267916      9.01693925    -12.12657780
  O     14.37295746     12.28202509    -10.78401423
  H     18.63700131      8.78343808    -14.94663778
  H     20.02488915     11.65864627    -13.23400835
  O     18.08451978      4.70112357    -13.73799377
  H     20.39286311      9.40258052    -13.88978727
  H     20.21437703     13.18648648    -13.09357717
  O     16.18017612      7.40949134    -11.34373081
  H     20.75357271      9.68973400    -12.42550380
  H     18.97058675     10.37450569    -10.79534037
  O     18.75468613      5.87775084    -16.26459135
  H     18.87108829      7.40915136    -13.02816490
  H     18.76560110     11.71067778    -11.57008133
  O     16.05757438      6.05354268    -16.51981062
  H     17.85153465      7.10839660    -11.86064497
  H     14.63145244      5.89711382    -13.62962085
  O     16.43202326      9.87330560    -12.55991424
  H     12.88494782      9.43409141    -13.05897868
  H     14.64212749      7.36373660    -14.12300963
  O     19.56284486     12.49243645    -13.03175166
  H     12.98914503      7.93342105    -12.73819974
  H     20.66169631      8.55300333    -10.06373717
  O     18.37116204     11.12445936    -10.91096304
  H     14.38780626     14.07676646    -13.37407606
  H     19.66711756      8.17294211    -11.18386813
  O     14.39584168      6.79895738    -13.37731978
  H     14.68666927     12.92307722    -12.39328532
  H     17.19023023     11.39044809     -9.63260733
  O     20.11663368      8.92113105    -10.75413016
  H     14.10755008     11.52909743    -13.91611709
  H     16.79652125     11.88167735     -8.22022547
  O     16.45385769     11.45539100     -9.00166342
  H     14.82974378     10.30653694    -13.36486857
  H     15.19573358      3.44791292    -14.21340776
  O     15.43727786      4.36800828    -14.27403936
  H     15.07940555     12.10122599    -10.15315188
  H     16.37337827      4.43215822    -14.01282580
          69
 Energy    -248.04636234739004     
  O     13.70352905      4.37797263    -10.37970116
  H     14.03879571      5.00765650     -9.73104350
  H     14.67133122     12.06516470    -12.63907801
  O     15.37319212      9.11189822    -15.55454896
  H     14.44992045      4.17308640    -10.95854650
  H     13.59815065      9.17564666    -13.33070577
  O     17.45532972      9.86501774    -13.94827107
  H     15.25933098      8.23406933    -15.91534560
  H     12.24755574      9.27988929    -14.07757014
  O     16.39199583     11.18517355    -10.11275942
  H     14.52389795      9.34968361    -15.15232807
  H     16.88178552      9.62415840    -10.81088765
  O     10.75039406      8.20664245    -13.93074839
  H     18.15870619      9.22267967    -14.10842183
  H     17.26517214      9.17949113    -12.25456226
  O     18.05198041      3.75422485    -13.84302253
  H     16.72545801      9.63166424    -14.54354776
  H     13.94060567      8.16584741    -11.31720967
  O     11.96088958      5.79429267    -14.11284548
  H     16.47884325     11.68578511    -10.93460569
  H     15.35029153      8.45443030    -11.88641288
  O     17.08318187      6.28332994    -10.43415569
  H     15.45267059     11.19580469     -9.89240606
  H     10.72442423      4.08192159    -11.29578169
  O     13.51885280     11.14065497     -9.83058296
  H      9.93590061      8.21271544    -14.42604215
  H     12.15967613      4.62289542    -11.10632969
  O     17.14206643      5.89860827    -15.27654251
  H     11.16280182      7.33528993    -14.07690641
  H     19.24079281      7.11615642    -13.50859661
  O     16.57099127     12.22202980    -12.80015140
  H     18.34844438      3.02554047    -14.38102118
  H     20.03061997      7.68204330    -14.70865567
  O     13.74886019     11.88073965    -12.42504743
  H     17.74532579      4.44998677    -14.45167317
  H     14.63248918      6.81969260    -13.26155835
  O     13.12691036      9.67221972    -14.01973703
  H     12.92635192      5.80836976    -14.13737355
  H     15.08788387      5.34628227    -13.22968110
  O     17.02985736      8.85218959    -11.37743255
  H     11.72270712      5.35375028    -13.28654903
  H     18.94849194      5.04481815    -12.73123196
  O     14.45307027      8.19595388    -12.13341410
  H     17.13039376      7.19690372    -10.75657800
  H     18.63601133      5.95431302    -11.52406917
  O     11.30268976      4.80184894    -11.53300693
  H     16.40875509      6.28665887     -9.74451027
  H     11.02039764      6.63386266    -11.19490734
  O     19.18326832      7.71788192    -14.27149248
  H     13.03298332     11.81251453     -9.35889425
  H     10.84121588      7.93067853    -12.00107803
  O     14.75986778      6.03895117    -13.81975185
  H     13.53178861     11.41238919    -10.76632481
  H     16.65396670      3.91013784    -12.58486798
  O     19.22257984      5.85562755    -12.28404396
  H     17.73031720      6.61740333    -15.01811233
  H     16.38639531      4.96908507    -11.48220418
  O     10.98762614      7.59594720    -11.10908713
  H     16.29725560      6.03961294    -14.82452188
  H     14.80916516      6.41899476     -7.74228295
  O     15.96645105      4.27828075    -12.01795335
  H     17.02525831     12.97849999    -13.16341317
  H     14.22980869      7.13166900     -8.98429477
  O     14.81837312      6.41299003     -8.69643973
  H     16.93678904     11.44085363    -13.24629049
  H     12.30682250      8.13485703    -10.08197004
  O     13.15525130      8.36072974     -9.66718717
  H     13.44742391     11.22352241    -13.06661788
  H     13.24085084      9.32269562     -9.65013236
          69
 Energy    -248.04623095705210     
  O     19.02576416      9.89834419    -11.66303892
  H     19.85924629      9.71174826    -11.23779562
  H     17.94317354     15.37132711    -14.98398671
  O     14.02806328     15.74704081    -13.20163306
  H     18.96653644     10.86422713    -11.74867209
  H     15.29958358     10.16318635    -12.16759565
  O     20.39499827     14.24702842    -13.29868906
  H     13.45956376     15.12074111    -13.68818320
  H     14.96903659      9.63933647    -13.61364616
  O     17.11382034     11.84437956    -17.99908732
  H     13.56593144     16.58009313    -13.17469807
  H     17.88368082     12.53188817    -12.60024364
  O     20.23113008     13.16848788    -16.05338830
  H     20.68292985     13.67294884    -14.01627279
  H     18.00558191     12.80877977    -11.09269057
  O     16.32803398     10.11584583    -10.73700408
  H     19.81901539     13.70805260    -12.74008306
  H     12.60755458     12.50260527    -17.59703969
  O     18.12780759      8.85312165    -14.17287364
  H     17.91895872     12.15332425    -18.43234737
  H     13.79107157     11.82249613    -16.87325359
  O     19.48579629     13.18063208    -18.82942995
  H     16.62267407     12.64224246    -17.74991039
  H     15.84572435     14.41939612    -16.34002952
  O     12.59275166     13.83655373    -14.44077525
  H     19.73401455     13.97029967    -15.83274261
  H     14.78527981     13.74379170    -17.23499498
  O     16.59932666     12.83698329     -9.84814531
  H     20.19530932     13.10344235    -17.01541713
  H     13.79129068     13.13851127    -11.49703251
  O     18.42014083     11.14531050    -15.66686149
  H     16.38032745     10.99138171    -10.33278390
  H     14.37021700     14.53534676    -11.77209183
  O     18.86192107     15.51749218    -15.25249450
  H     17.23551059      9.88149615    -10.96716776
  H     16.33970199     13.93982538    -14.31092844
  O     14.78850036     10.33828146    -12.97419213
  H     18.45345101      9.09828510    -13.29979383
  H     15.54215149     15.26664723    -14.12748569
  O     18.52855451     12.61638139    -11.88131876
  H     18.35761683      9.59240549    -14.75591126
  H     11.98395043     11.36742452    -11.96644894
  O     13.26927797     12.64311609    -16.92412422
  H     19.03975718     14.02026493    -18.61201904
  H     13.37798047     11.28354433    -12.63301717
  O     15.66982253     14.12741435    -17.24682844
  H     19.96399848     13.32557350    -19.64117271
  H     15.37785280      7.58259981    -15.07721927
  O     14.44424240     13.77539970    -11.18294508
  H     12.80730487     13.42388221    -15.28602241
  H     16.50507711      8.55765902    -14.66079269
  O     16.24748338     14.84924328    -14.63467665
  H     12.51599164     13.12291662    -13.79420346
  H     17.21587804     11.82726314    -14.52083962
  O     12.65668995     11.89149619    -12.39308461
  H     15.83166501     13.21084036    -10.31754430
  H     15.96879463     11.63778217    -13.59363707
  O     15.57101205      8.50531462    -14.93429013
  H     16.57241501     13.18524774     -8.96109231
  H     18.44398024     15.61128993    -17.10228747
  O     16.64877187     12.26310576    -13.86905413
  H     19.14830249     11.78128438    -15.68758571
  H     17.21361939     15.09512761    -17.87685614
  O     18.13208977     15.37308489    -17.98620423
  H     17.93787640     11.27089855    -16.49485870
  H     15.13841092      9.78333838    -16.29510138
  O     14.87733199     10.46279377    -16.92631001
  H     19.40409854     15.32726561    -14.47425811
  H     15.67510640     10.74431707    -17.39257534
          69
 Energy    -248.04610766764537     
  O     11.06001944      8.90838444    -11.91798519
  H     11.92860116      9.27716450    -11.71807837
  H     16.31730725      6.56505243    -13.44984020
  O     11.78976828      3.53549839     -9.43079204
  H     11.11579557      8.57643088    -12.82176132
  H     14.30751230      5.77394268    -12.86495928
  O     17.51821046      7.19690878    -12.28823515
  H     11.59566281      2.70155085     -9.00946546
  H     12.78986316      5.44816320    -12.72480648
  O     16.72979512      4.57216017     -9.44070561
  H     12.69100818      3.46308478     -9.78398759
  H     10.19462287      7.93151253    -10.75142160
  O     11.69748971      6.23220252     -8.43172207
  H     17.78772560      8.09303796    -12.52291085
  H      8.91964838      7.81836567     -9.88723585
  O     14.15061145      8.53244058    -14.21757066
  H     17.11276291      7.24525332    -11.41100676
  H     17.28607483     10.20143435    -13.45062907
  O     12.20002351      2.80018047    -14.59920212
  H     16.66720717      5.54217047     -9.45791167
  H     18.78559089     10.38705453    -13.12094820
  O     16.46555579      9.94614668    -10.41816041
  H     17.11494472      4.34215656     -8.59822327
  H     13.59097765      6.63003812    -10.80317211
  O     16.69902088      3.58018594    -14.18814379
  H     11.68638879      5.29220910     -8.65072263
  H     13.04610108      6.91427205     -9.36789724
  O     14.43408266      2.22119375    -13.11175256
  H     10.95723861      6.63015287     -8.90950932
  H     17.66119986      4.33665708    -11.11333690
  O     14.31642932      3.52384003    -10.56544638
  H     13.23003280      8.31085002    -14.40492992
  H     18.06726434      5.40709848    -12.13541179
  O     15.63009493      6.19044397    -14.02259120
  H     14.65839558      7.71142821    -14.27680744
  H     15.42923161      7.20090370     -9.73028404
  O     13.60743728      5.57971981    -12.22910191
  H     11.85861176      1.98347964    -14.95354311
  H     16.56149048      8.24322709     -9.76229504
  O      9.71376818      7.35210303    -10.13479499
  H     12.98398498      2.55795720    -14.07861206
  H     15.24143244      9.94107314    -14.43162731
  O     18.00512802      9.90048088    -12.86899040
  H     15.56540490      9.96359800    -10.77110096
  H     15.34836194     11.46670306    -14.29508901
  O     13.70474335      7.18755733    -10.01978912
  H     17.04638628     10.06700152    -11.17770214
  H     10.59651477      4.31681202    -10.71710364
  O     18.03419358      4.45063226    -11.99521664
  H     17.22251166      3.80810764    -13.39866741
  H      9.85311543      5.65442290    -10.92638617
  O     16.39538860      7.29093855     -9.70938371
  H     17.29913606      3.17596214    -14.80946226
  H     13.77399326      8.72774676    -10.93688757
  O     15.87458191     10.67553648    -14.38972641
  H     15.21916859      2.62765954    -13.49982216
  H     14.01214292      9.15677855    -12.41241629
  O     10.05647086      4.80886861    -11.34687149
  H     14.42573616      2.48864588    -12.18507793
  H     11.36529805      6.85644075    -14.30121431
  O     13.84575106      9.49741972    -11.52391196
  H     15.12488536      3.80475021    -10.12198068
  H     10.86887952      7.94716346    -15.27821761
  O     11.45091045      7.79701741    -14.53765880
  H     14.07902630      4.23490258    -11.18302921
  H     11.55367035      4.37345300    -14.11094382
  O     11.29072446      5.22044569    -13.72250690
  H     15.92691984      5.30605834    -14.26768532
  H     10.75531810      5.04039903    -12.93353258
          69
 Energy    -248.04606319198757     
  O     12.54638778      9.62296383    -10.89317765
  H     13.15136361      9.16822232    -11.49004061
  H     13.89124116     15.36583922     -6.62968849
  O     12.16515702      6.16818750    -12.39124815
  H     13.03562942      9.88223101    -10.09939558
  H     10.53949971     12.45267677    -10.30632080
  O     11.11977801     11.69252666    -11.87916928
  H     12.02052448      5.28973042    -12.73233383
  H      9.62631949     12.24472614     -9.06858127
  O     13.89095001     10.36435679     -8.60218828
  H     11.63606929      6.77567714    -12.94149868
  H     11.83305792      8.78339403     -7.22789921
  O     13.36962541     15.72239814    -11.35818799
  H     11.56768964     10.91338864    -11.50968936
  H     11.99377192      7.73874691     -8.34940089
  O      8.75279654      8.98974131    -10.29819164
  H     11.82989139     12.28911098    -12.14795720
  H      9.93633505     10.32137380     -7.17436386
  O     13.45584382     13.10774688    -12.30168242
  H     13.56619213      9.53648360     -8.21531579
  H     11.28047672     10.91863080     -6.74544309
  O     15.17622658     14.55522980     -9.43988042
  H     13.38609398     11.07720740     -8.18309778
  H     14.84374379     11.37274502     -9.74512333
  O     11.06829870      7.42696106    -10.06461088
  H     13.31742710     16.60717581    -11.70822837
  H     15.67955489     11.29719458    -11.04399450
  O     11.55023233     15.35587497     -9.38875428
  H     12.66219084     15.63839367    -10.69294918
  H     11.57984852      8.51604989    -14.38217467
  O     14.55798886     11.38777507    -14.19822876
  H      9.45086561      8.33334399    -10.16974372
  H     10.26092035      8.67638092    -13.59407751
  O     13.49030317     14.86080767     -7.33144436
  H      8.81961055      9.28317307    -11.21371334
  H      8.51207542     10.54497223    -13.40603713
  O     10.31034090     12.81684196     -9.44097834
  H     13.42127131     14.05089760    -12.10005854
  H      9.83025239     10.73544131    -12.61961790
  O     12.48363143      8.21741032     -7.67215236
  H     14.00826243     12.69453207    -11.62182457
  H      7.65760856     10.90770336     -8.05940396
  O     10.72591824     10.13283329     -6.65459187
  H     15.33329963     13.65748549     -9.76054693
  H      8.58691505     10.19418623     -9.06948228
  O     15.21838790     11.90942805    -10.45932662
  H     14.71226561     15.01821561    -10.14838400
  H     13.42246396      9.07897565    -15.98498407
  O     10.89731340      8.02343162    -13.90929977
  H     11.52012722      8.25490256    -10.29259237
  H     13.61441474     10.08177536    -14.82567049
  O      9.18895045     10.07238234    -12.92772477
  H     11.36885749      6.79596123    -10.72706608
  H     17.09401423      9.59329385    -12.32664103
  O      8.54704464     10.90338882     -8.40304890
  H     10.99961963     14.56199099     -9.41094987
  H     15.59063072      9.24332023    -12.35434023
  O     13.19262702      9.23963887    -15.07323529
  H     12.09535295     15.28458730     -8.59500291
  H     13.88239847      8.45144570    -13.53552359
  O     16.22153342      9.97937329    -12.30013484
  H     15.26312254     11.02007886    -13.65272637
  H     13.65811229      7.34064074    -12.48488617
  O     14.17933317      8.13228653    -12.67111418
  H     14.14268582     12.07772815    -13.66300500
  H     11.62790472     12.51196919     -8.20737054
  O     12.29708375     12.33567587     -7.53053275
  H     14.16554977     14.75355833     -8.02538276
  H     12.71627834     13.17915487     -7.32473425
          69
 Energy    -248.04593083001430     
  O     12.18016823     10.88973176    -14.75153438
  H     12.33988070     10.16671854    -15.37447602
  H     19.26935613      7.51787986    -15.31124237
  O     16.02651876      6.71701854    -12.98006265
  H     12.88849674     11.53001577    -14.88599967
  H     16.22384393     10.46106204    -16.88110184
  O     17.79734288     10.70329265    -11.98301064
  H     15.43764900      6.80479877    -12.21793750
  H     17.15200926     11.08958589    -15.82342699
  O     12.66549824      5.96301252    -15.30627373
  H     16.88485770      7.08404910    -12.72460999
  H     15.31091032      8.22475399    -13.69930423
  O     15.30681916      9.93409025     -8.58246126
  H     16.90984843     11.02319967    -12.20104605
  H     14.13781846      8.86918342    -14.50118658
  O     14.27893890      7.31518917    -10.92302387
  H     17.89807601     10.79479015    -11.02764588
  H     10.44880055     10.03123414    -12.26961477
  O     15.23392021     11.37432983    -12.74390654
  H     12.50553648      6.30467259    -14.40714012
  H     11.62319310     10.22238506    -13.25815457
  O     15.78208323      8.46036348    -16.69363233
  H     11.99612617      5.30476602    -15.47297470
  H     18.33059896      7.73544957    -10.43537953
  O     15.72609744      7.08313297     -8.54590508
  H     15.34562355      8.98198691     -8.43033841
  H     18.20627065      8.77734455     -9.30985217
  O     18.10247438      6.81827089    -16.42807348
  H     14.64959702     10.06707288     -9.27872334
  H     11.86186853      7.96026521    -12.76773389
  O     15.51523965      5.87622543    -15.56578257
  H     14.69968873      7.11038804    -10.07890864
  H     12.90943481      7.00806981    -12.16561254
  O     19.82965741      8.00397565    -14.68235185
  H     14.11846348      8.26988481    -10.92445640
  H     19.01286042      9.77366592    -14.79055800
  O     16.36926538     11.26234953    -16.37133969
  H     15.17421824     10.52745142    -13.22108454
  H     18.35780392     10.74956962    -13.80052733
  O     14.98115740      9.05204334    -14.07311063
  H     14.97048489     12.03933835    -13.38850318
  H     18.14033800      8.92841211    -12.20188312
  O     11.34889561      9.76733073    -12.44141105
  H     15.75329245      8.90923792    -15.83387435
  H     18.97017852      7.92250756    -13.04162877
  O     18.15415775      7.83035030     -9.49007918
  H     15.67162034      7.52380459    -16.46837897
  H     16.92711401     10.48534395     -8.93465673
  O     12.27318541      7.09573023    -12.88684395
  H     16.62564855      7.27077884     -8.87057713
  H     18.19384248     11.26534822     -8.50819766
  O     18.48933638     10.58085561    -14.74219395
  H     15.81513169      6.46279791     -7.82787408
  H     14.21510098     10.61362625    -11.44763622
  O     18.37119930      7.99126897    -12.28820169
  H     17.43308829      6.17751466    -16.15975877
  H     12.80367666     10.00778873    -11.28714303
  O     17.85467346     10.66847778     -9.16967377
  H     17.58711943      7.56808653    -16.75008027
  H     14.38623562     13.54933789    -15.46756435
  O     13.67013941     10.06464437    -10.86587057
  H     15.74368145      6.05622764    -14.64030502
  H     15.10672390     12.18835335    -15.59196013
  O     14.41294134     12.66813755    -15.10457586
  H     14.56001242      5.74382959    -15.56982654
  H     13.82180835      8.63059227    -16.61687795
  O     12.97168279      8.63086933    -16.16130867
  H     20.73419506      7.83727142    -14.93441190
  H     12.75729401      7.70638465    -15.98086299
          69
 Energy    -248.04592339297804     
  O     -1.20877970      3.98390360      2.87308241
  H     -0.79354755      3.21036361      3.27443327
  H     -0.73214992      8.36889954      0.41566094
  O     -2.61577299      5.92225793     -0.41485111
  H     -1.90110296      3.68395475      2.26881551
  H      1.54770004      1.54671536      1.16550737
  O      4.26508553      6.89726463      0.16876083
  H     -1.75995466      5.96311641     -0.85860350
  H      0.14198702      1.11199369      0.71919379
  O      1.97406087      7.26167712      1.60468527
  H     -2.59510247      6.60476148      0.26894638
  H     -0.78337999      3.34853454     -3.16485870
  O      0.04902305      6.01287054     -1.44710340
  H      5.04047383      7.35692947     -0.14212995
  H     -0.03986883      4.40879703     -2.30701614
  O      2.62141440      3.01134455      0.76387940
  H      3.86576558      6.48467832     -0.61545569
  H     -2.91113403      1.60418487     -2.97877697
  O      0.63174941      4.91712494      0.94356818
  H      2.07252917      7.07726926      2.54623784
  H     -2.37767202      1.07648917     -1.63993610
  O     -2.20923983      7.86981484      1.56552222
  H      2.84146834      7.16693105      1.18186751
  H      2.73474888      3.46622329      2.67780444
  O     -1.04779190      1.81270434     -0.51803534
  H      0.25443557      5.52599683     -0.62896873
  H      1.75255003      3.05715145      3.78786416
  O     -0.91030354      6.62487330      3.60413683
  H      0.05525301      6.94940789     -1.19394545
  H     -4.56431103      3.89106952     -1.86680741
  O     -2.93760174      3.43080971      0.79126381
  H      1.92596025      3.68703413      0.80623187
  H     -3.69512896      5.16044515     -1.76279344
  O      0.06768016      8.38124492     -0.12344176
  H      2.82530142      2.91619893     -0.17236973
  H     -3.02099848      3.72515732     -3.49076213
  O      0.81823961      0.95299804      1.39082375
  H      0.02169210      4.62635366      1.63166725
  H     -2.63327758      3.32291614     -4.93377768
  O     -0.02938508      3.47896337     -2.57520087
  H      1.06357452      5.73191505      1.24115086
  H      0.16399570      1.12091708      4.49584444
  O     -3.13454796      1.02481325     -2.24036391
  H     -1.73072069      7.46406607      2.31018925
  H      0.44653884      1.41767576      3.00138334
  O      2.43236966      3.70403064      3.56269147
  H     -2.79519139      8.52138931      1.94181843
  H      1.71039470      3.01469291     -2.34756170
  O     -4.10113604      4.55328508     -2.39484419
  H     -0.62857556      2.38130293     -1.17653778
  H      3.00961586      2.26701691     -2.71791556
  O     -2.40913766      3.18015046     -4.01801996
  H     -1.66075984      2.37198197     -0.02082077
  H      2.11248429      5.37501365      4.01372732
  O      0.27058425      1.82953062      3.86788894
  H     -1.12190907      5.68899897      3.47095366
  H      2.37714770      6.50794222      5.02943217
  O      2.64831617      2.91383093     -2.11651179
  H      0.00665888      6.63710969      3.89841189
  H     -5.83025127      1.88075636     -0.68063942
  O      1.90476319      6.30197775      4.22722296
  H     -3.73171326      3.04045934      0.40690485
  H     -4.41832788      1.78820046     -1.31017739
  O     -5.01045310      2.35559866     -0.78429451
  H     -2.83991725      4.30948739      0.39526296
  H      2.97204806      4.79140371     -2.05857043
  O      2.93321420      5.74901623     -1.94637061
  H      0.78477993      8.15000032      0.48516008
  H      1.99651539      5.97094331     -1.92096062
          69
 Energy    -248.04588966128853     
  O     15.77327992      9.61769200    -11.94504983
  H     16.30837820      9.31470387    -11.19699379
  H     11.45434964      7.56261646    -10.02709668
  O     19.30760620      5.35096550     -9.41386161
  H     15.21876947     10.33381261    -11.60458222
  H     15.14119123      8.86365025     -5.80612059
  O     16.16079667      4.40141891    -11.50727275
  H     20.08260997      4.85500152     -9.66917858
  H     16.35869380      7.97744887     -5.44044949
  O     13.76706627      5.61453995    -10.87152507
  H     18.95029787      5.73900521    -10.22789207
  H     12.81204266      8.16163843    -11.83677677
  O     16.82044573      3.96415816     -8.81092607
  H     15.98896353      4.10727969    -12.41419431
  H     14.27507347      8.50407291    -12.24238345
  O     17.24326917      8.19189074    -13.78356176
  H     16.78821162      5.13377845    -11.56185883
  H     17.89616103      6.97635093    -12.42245193
  O     18.14074421      9.53971677     -7.43522952
  H     14.54537074      5.09622853    -11.11437585
  H     17.78283988      7.26361841    -10.91616024
  O     15.27140387      5.28282531     -6.97134063
  H     13.68493832      6.33944232    -11.50835850
  H     15.14549218      3.40581638    -14.80806159
  O     17.19707886      8.53386042     -9.84014671
  H     17.70442544      4.34281726     -8.86880276
  H     15.28959456      4.86057122    -14.32544466
  O     15.03217350      7.19731747     -8.96874593
  H     16.50607271      3.93520570     -9.72465559
  H     13.00138017      7.91973993     -6.14034087
  O     13.54486684      9.51154570     -8.59707904
  H     17.73398594      8.74818989    -14.38370166
  H     12.67128323      9.07471661     -5.16577277
  O     11.68237789      8.40901545    -10.42983903
  H     16.72545215      8.78681971    -13.21422649
  H     10.92344272      5.07221284     -9.43959421
  O     16.10464366      8.83682062     -5.80004769
  H     17.37484199      9.36477689     -6.85780638
  H     12.32314034      5.59204710     -9.83265868
  O     13.54382357      7.89727380    -12.41405361
  H     18.52895732     10.35748257     -7.13700319
  H     13.23803484     11.70992069    -10.87313299
  O     18.01315183      6.57085662    -11.55615659
  H     15.76939872      4.71780992     -7.58223517
  H     13.90517372     10.77747934     -9.85152362
  O     15.53463020      3.94126943    -14.12258104
  H     15.87618863      5.54171464     -6.26548085
  H     17.85775584      6.40730787     -5.76134977
  O     13.24229596      8.83019093     -5.88875856
  H     16.44201745      8.03002276     -9.49413301
  H     17.52632166      5.90493630     -4.33399494
  O     11.55402365      5.76649772     -9.26346730
  H     17.59474951      8.98598701     -9.08785535
  H     13.51576303      5.80914759     -6.70815521
  O     14.07935908     11.32867736    -10.63138506
  H     15.14827640      6.62248092     -8.20135527
  H     12.23705956      6.12627748     -7.51391676
  O     17.13415326      6.26778547     -5.12321187
  H     14.59729524      6.66622601     -9.64772447
  H     18.85612093      7.76709673     -7.20846818
  O     12.68286241      6.30081176     -6.67664309
  H     14.08580516      8.72276641     -8.75242649
  H     19.14327644      6.37314451     -7.82490931
  O     19.00545842      6.83867725     -6.99151661
  H     13.34012735      9.49076727     -7.65561671
  H     15.77549259      7.10308487    -14.38215270
  O     14.96254126      6.59440508    -14.48672436
  H     12.20806757      8.87215852     -9.76445615
  H     14.32010131      7.01710136    -13.90230688
          69
 Energy    -248.04568125743157     
  O     15.07763721      9.63338818    -15.14598034
  H     14.49285472      9.01124614    -15.56902333
  H     17.73084707     10.49439805    -16.37404213
  O     19.49887182     14.53387292    -16.98708445
  H     15.94991231      9.53387727    -15.56967608
  H     17.96519792     11.15404842     -9.51318940
  O     19.82050781      8.73949338    -14.51703361
  H     19.36153142     15.03477987    -17.78730493
  H     18.00624738     12.68252275     -9.72730490
  O     19.23827775     13.90126762    -10.44174864
  H     20.39715376     14.16259763    -17.03581393
  H     20.81453674     18.13284095    -12.93800826
  O     15.10969944     13.96997492    -12.88164011
  H     20.30399856      9.51254761    -14.17974390
  H     20.52291866     16.65942424    -13.26523481
  O     19.19755047      9.68047251     -9.63865465
  H     20.47736027      8.13103224    -14.84768313
  H     20.41212880     10.92806442    -10.26426059
  O     15.06509728     11.85899656    -10.89379774
  H     18.70326732     14.16770046    -11.20391505
  H     20.28859895     12.41850977    -10.66239818
  O     21.86511683     13.52675957    -14.09034148
  H     19.89324695     14.59438003    -10.29908125
  H     15.75939696     10.66412420    -12.09542303
  O     21.32841596     15.80650427    -10.32215258
  H     15.00168267     13.29407535    -12.20281147
  H     15.75967476      9.91547618    -13.47349653
  O     20.91471837     10.99401839    -13.40915198
  H     15.03222867     13.51292547    -13.73274333
  H     22.83084524     13.16392353    -17.18858038
  O     15.11635906     12.52915803    -15.29125095
  H     19.27921067      9.00536501     -8.97067427
  H     22.11512516     13.48314587    -15.86244542
  O     17.58344520      9.55754742    -16.18085588
  H     18.94996620      9.22941466    -10.46607011
  H     19.58497120     15.22651392    -15.23118018
  O     17.41171275     11.94299047     -9.54607378
  H     14.34671135     11.79386574    -10.27020124
  H     19.00863402     15.13048683    -13.77986493
  O     20.91117696     17.24730811    -12.59746505
  H     15.88423846     11.92619577    -10.37025333
  H     22.40078812     14.38616435    -11.05569651
  O     20.86386328     11.64172300    -10.73100173
  H     21.14733905     14.17418323    -14.09330282
  H     22.30131346     12.85270258    -11.12563693
  O     16.28392550     10.10741397    -12.68520252
  H     22.30801315     13.59722567    -13.23196619
  H     18.92210652      8.48122363    -12.81907371
  O     22.02024224     13.51342628    -16.82905523
  H     21.61901713     16.37701892     -9.61527061
  H     17.61786171      9.00571460    -12.18924189
  O     19.77658955     15.40727638    -14.30399545
  H     21.19643488     16.37076912    -11.10353601
  H     17.61246551     11.24030892    -13.25371170
  O     22.76762712     13.61186107    -11.49978362
  H     21.27777101     11.80766821    -13.78328471
  H     19.14886623     11.50329167    -13.44897031
  O     18.45495303      8.56425219    -11.98125153
  H     20.95428019     11.09888726    -12.44713327
  H     17.99404717     12.23679074    -15.30317884
  O     18.26832666     11.87597658    -13.56839659
  H     15.96511649     12.60094240    -15.74591385
  H     18.35618474     13.08372488    -16.55430507
  O     17.80487816     12.35713398    -16.24718129
  H     14.93106959     11.58388609    -15.26408332
  H     16.82169132     14.46398425    -12.75311766
  O     17.78710431     14.40519376    -12.73638468
  H     18.33214459      9.26448064    -15.64903142
  H     17.98809185     13.49590746    -13.01070792
          69
 Energy    -248.04568025979376     
  O     -4.20058496      0.72727473      0.89372582
  H     -4.01662908      0.69896691      1.85115844
  H     -0.67178995     -5.09403972      0.91534891
  O     -3.22728109     -2.56047913      6.98542131
  H     -4.86849756      1.39472235      0.76461209
  H      2.27218775     -0.32432237      3.65110048
  O     -0.93135562      0.03862391      3.97335468
  H     -2.36176456     -2.39965491      6.57181107
  H      2.20042196     -1.76775831      3.13450981
  O     -3.65359979      0.60512262      3.49908932
  H     -3.15126008     -2.28792071      7.89603022
  H     -1.98948860     -2.14151265      1.79540363
  O      1.77886601     -2.39137533      6.19757007
  H     -0.14302180      0.56273080      3.79053294
  H     -1.36755655     -0.95544803      0.99517155
  O     -3.81736153     -4.89510476      5.47471407
  H     -1.06391498     -0.51940032      3.19061506
  H     -4.11051834     -3.62698644      2.44204074
  O     -0.87420955     -2.17272995      5.63768496
  H     -2.72948840      0.55487877      3.76988760
  H     -2.60786949     -3.82401469      2.69775433
  O     -5.50540484     -3.89020179      3.60288831
  H     -4.13025427     -0.05672729      4.02156965
  H      1.69524375     -2.36688956      0.90303670
  O     -1.68435451      0.35687457     -0.28799991
  H      2.11895235     -1.96569789      5.39102163
  H      0.42382814     -2.26257622      1.77398476
  O      0.62813538     -5.19414841      2.36851937
  H      2.52450624     -2.48309879      6.78339008
  H      2.63066418     -1.79043865     -1.43765816
  O     -0.28911963     -2.92759011     -1.53464464
  H     -3.70048214     -4.20099751      6.13661785
  H      1.15249572     -2.11628448     -1.10740503
  O     -1.31224567     -4.81692116      0.24925393
  H     -2.98055857     -4.92117461      4.99067472
  H      1.30299419      1.12003507      2.10010149
  O      2.54539438     -1.22615549      3.85661844
  H      0.04006416     -2.29136287      5.93434815
  H      1.78476916      2.16348002      3.13305780
  O     -1.23450618     -1.54465997      1.74889178
  H     -0.90532657     -1.35221560      5.12626342
  H      0.08297606      0.77287968      0.12502653
  O     -3.24395627     -3.53182634      2.02533853
  H     -6.34585736     -4.33658990      3.55006130
  H      1.40823156      0.00283493     -0.01769789
  O      1.31753140     -2.63703828      1.74942401
  H     -4.98741876     -4.33786597      4.29677912
  H     -3.25092011     -1.70379449     -1.54901312
  O      1.95366126     -1.66579765     -0.77889034
  H     -1.90752682     -0.16372216     -1.07034096
  H     -3.08994304     -1.43917744     -3.06563031
  O      1.43265723      1.28127268      3.05203710
  H     -2.52318645      0.63620413      0.10371266
  H     -5.19076582     -2.17922683      4.45598133
  O      1.00312904      0.76069137      0.42049993
  H      0.97995207     -4.31249530      2.15369352
  H     -4.37456146     -1.74458876      5.68573477
  O     -2.61114440     -1.45862369     -2.24168977
  H      1.37661581     -5.77595920      2.46931800
  H     -1.20064447     -3.59853788      4.53187155
  O     -4.87479038     -1.40457332      4.93416606
  H     -1.06334654     -2.47118445     -1.88198178
  H     -0.71582341     -4.71607151      3.54722930
  O     -1.49050598     -4.33999699      3.98177567
  H     -0.62409532     -3.62632301     -0.95466997
  H     -3.99050721     -2.53014453      0.56072942
  O     -4.25883735     -1.92299631     -0.13707172
  H     -2.08744667     -4.52106531      0.73844503
  H     -4.34832567     -1.05245372      0.27482907
          69
 Energy    -248.04565608919216     
  O     16.29366318     10.38143290    -16.35242486
  H     16.01300581      9.82995733    -17.09307240
  H     17.00177582      5.23694853    -12.40782793
  O     15.70697645      4.94485466    -13.53813544
  H     15.54818128     10.58372981    -15.77743347
  H     19.89311331     10.64667488    -16.24484988
  O     16.73384312     13.43915681    -11.20773082
  H     16.19989612      5.03366124    -14.36795213
  H     21.30842124     10.31058343    -16.77397113
  O     19.83225629      8.70833559    -13.95618815
  H     14.86903983      5.38991404    -13.69741795
  H     17.03189059      8.97102287    -15.35352749
  O     14.69455732      6.63214857    -16.93002787
  H     17.25378558     12.95644325    -10.55204648
  H     16.51338618      8.22437034    -14.10296767
  O     15.77526410     10.22734329     -9.68043823
  H     15.84672057     13.05998405    -11.17478354
  H     17.19982171      7.12211090    -11.22631029
  O     15.02174208      8.41726226    -13.07058619
  H     18.91236592      8.52101155    -14.20678204
  H     16.12180249      8.11533783    -11.72837703
  O     17.65157798     11.89257072    -13.29783576
  H     20.23484484      9.11949005    -14.72983114
  H     13.83943488      6.64250460    -15.40430121
  O     19.91952655      5.93167082    -13.76192230
  H     15.04875508      7.30717884    -17.51906704
  H     12.56740713      6.34467733    -14.57728169
  O     19.74752286      5.52648736    -16.45059092
  H     15.47474977      6.12938659    -16.65209506
  H     18.58744255     11.02594789    -10.30811017
  O     17.04337564      5.67960474    -15.83663491
  H     16.58406653     10.71308878     -9.47526943
  H     18.99746644     11.71345543     -8.98677177
  O     17.77196630      5.44799727    -11.85027353
  H     16.06743311      9.36953055    -10.01394399
  H     19.33773702      9.50635259    -12.38896234
  O     20.51993659      9.91768801    -16.41021092
  H     14.90380540      9.33560134    -13.35196750
  H     18.13186317      9.21564923    -11.45509108
  O     17.23487539      8.24970634    -14.74441377
  H     14.38377791      7.85982531    -13.53359299
  H     13.46974156     12.11728947    -10.78137561
  O     16.83417086      8.00220787    -11.07935324
  H     18.05259351     11.18188243    -12.78239474
  H     14.74374928     11.24917737    -10.67873247
  O     13.48144753      6.60391012    -14.49937074
  H     17.39049962     12.57786961    -12.66639634
  H     19.15220337      7.15045046    -17.35324574
  O     18.27226385     11.60990919     -9.59739805
  H     20.04625679      6.89052967    -13.73101638
  H     19.41452577      8.66424044    -17.33374262
  O     18.80224315      9.87893425    -11.67599002
  H     19.22822776      5.73506466    -13.11989921
  H     15.95245056     11.33343849    -13.76027269
  O     14.27390040     11.89055224    -11.24114554
  H     19.86504765      5.63179869    -15.48896390
  H     14.59815052     11.41896725    -13.04650536
  O     18.83441829      7.98926475    -17.70716352
  H     20.40529573      4.90026488    -16.73970317
  H     18.44335693     11.96250320    -14.96908066
  O     15.02320592     11.06774519    -13.83989628
  H     17.91586096      5.41830921    -16.14898771
  H     17.83414261     11.37972839    -16.23759473
  O     18.65002271     11.76904092    -15.89361602
  H     17.14722030      6.58010797    -15.48962520
  H     17.15299700      8.30058316    -18.19687773
  O     16.23174402      8.51775378    -18.42816244
  H     17.89071502      4.70710318    -11.26044434
  H     16.21466425      8.65161011    -19.37233386
          69
 Energy    -248.04562294424829     
  O     -3.64703262      3.42767013      0.97292737
  H     -3.59841924      4.09872061      1.67176199
  H     -2.42047312      4.57930542     -3.81563611
  O     -5.06442548     -1.23042562      0.66185762
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  H     -4.78979567     -0.99818073     -0.24344012
  H     -1.78876598     -2.10625199     -0.53778335
  O     -2.99832052      2.01597810     -1.44182147
  H     -5.94481140     -1.58999613      0.60017040
  H     -1.17382392      2.85090893      4.67109473
  O     -0.77365359      1.06561136      5.26031148
  H     -0.40181114      3.67432168     -2.39034621
  H     -1.00528340      3.50785702      3.28330554
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  H     -0.52566472      6.22860125      0.72436377
  O     -0.89588108      3.16402582      1.54898541
  H     -2.77663206      2.71065760     -2.07570657
  H     -0.96303966      7.67950148      1.02957710
  O     -4.03838593     -0.57664650     -1.76450728
  H     -3.29340219      2.45524741     -0.63562320
  H     -2.42038835      5.90958133      2.32218017
  O     -3.90410627      0.97522331      2.01952197
  H     -0.90001505      0.72118226      6.14072362
  H     -2.46462636      4.90145076      3.49172243
  O     -1.47639121     -0.25110794      2.85200351
  H      0.18098057      1.23070660      5.15616423
  H     -1.37798883      1.12565051     -1.36337770
  O      1.82460235      1.74689138      4.87192638
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  H     -0.75897935     -0.27584136     -1.54146688
  O     -2.13448295      4.19715201     -2.99063173
  H      2.23998281      4.40689059      2.94863980
  H      0.51850104      4.37295748      4.56477519
  O     -1.52859044     -1.96477118     -1.46612919
  H     -0.37572604      3.82257547      1.06948110
  H      1.51291888      5.29571771      5.30761753
  O     -1.11042691      3.70538338      4.22825332
  H     -1.81510321      3.24442956      1.26866332
  H     -2.48835081      6.09189169     -0.27544142
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  H     -3.43150794      4.87824078     -0.27265996
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  H     -3.76729270      0.35136096     -1.73709931
  H      0.21125766      0.66050300      0.23020860
  O     -0.53349994      0.65457529     -1.41392712
  H     -3.08260082      0.58212206      2.34019259
  H     -0.00134021      1.68672990      1.35612873
  O      1.46149037      4.57756569      4.68219335
  H     -4.39948171      0.25752139      1.60714196
  H     -2.06905091     -1.67462338      1.78317188
  O     -3.05076118      5.55470272     -0.84646402
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  H     -3.36697876     -2.02686700      1.03253996
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  H     -0.76340199      0.04112405      2.26699917
  H      2.04482712      1.08836566      1.82536825
  O     -2.42613035     -2.23854115      1.08485961
  H      2.25953773      1.51806752      4.04082340
  H      3.56155795      0.79093029      1.90031608
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  H      1.84282975      2.71092013      4.91865730
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  O      0.67054347      5.03305703      0.24027162
  H     -2.45501897      4.78150941     -2.27952125
  H      1.42557192      4.79192166      0.79865910
          69
 Energy    -248.04549361024175     
  O     -3.43169772      0.32857114      1.28186267
  H     -3.10894302     -0.14517106      0.50208043
  H     -4.18803310     -1.70234505      3.70069579
  O     -0.75834765      3.09022067      1.69198304
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  H     -1.65147199      3.30742507      1.40015807
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  H     -4.11877133      3.75188351      0.69830477
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  H     -3.09923514      3.10196321     -0.26840204
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  O      3.02143575      3.08342482     -0.30551647
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  H      3.55557520      3.85223323     -0.48580491
          69
 Energy    -248.04538460083629     
  O     -3.36543940     -1.26956557      1.63142856
  H     -3.66036577     -0.56244642      1.03652517
  H     -2.05211912     -2.02260793      4.46862740
  O     -0.86846151      2.98845509      1.77149691
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  O     -0.27870333     -1.04742241      4.64426510
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  H      0.50808610      1.15457906     -1.26197319
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  H     -2.75337919      3.68190793     -0.50927551
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  H     -3.82879862      4.41206902      0.33002577
  O     -3.20146323      3.69449409      0.35514915
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  H      3.99156301      3.46862397      0.33024010
  O      3.22635049      2.91401832      0.45406031
  H     -3.12186046     -2.02977469      3.34119204
  H      3.48247922      2.01305343      0.18490537
          69
 Energy    -248.04535107056626     
  O     -7.58205593     -1.48072359      7.20358855
  H     -8.11022178     -0.66416010      7.13990500
  H     -5.19179729     -0.59756635      1.50056035
  O     -9.66266454     -1.84136700      3.09641926
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  O     -7.23045647     -2.12481487      4.49755844
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  O     -9.80512787      1.42597499      0.57358288
  H     -6.27828913     -2.23397420      4.38313122
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  O     -9.02207049      0.77825264      6.89426801
  H     -6.25005037      2.43289361      6.04380673
  H     -2.67482932      1.70697071      0.38395389
  O     -4.42739314     -1.92864012      4.24250822
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  H     -9.12297708      3.75623441      3.53929511
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  O     -9.98609709      0.71189661      4.27986112
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  O     -6.41496044     -1.00681967      0.24204964
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  H     -9.68982638     -2.04912024     -0.04272358
  O     -7.26459137      0.58317801      3.72777374
  H     -8.62746535      1.65825610      6.90249846
  H     -9.40866599     -1.58346288      1.40283182
  O     -4.97155974     -0.47393881      6.67993194
  H     -9.52503585      0.72839336      6.06944426
  H     -7.84697677      4.09062605      7.15416039
  O     -2.84610167      0.81471724      0.03318957
  H     -4.37885542     -1.33812763      3.47187539
  H     -8.04054957      3.62877280      5.69042670
  O     -8.38788925      4.10152235      4.05942173
  H     -3.74629197     -2.58621972      4.12427397
  H     -3.37104860      3.82931097      0.61335320
  O    -10.63645021      2.93284571      2.66723063
  H     -6.06252442      1.67347684     -0.01386597
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  O     -9.23572020     -1.38210019      0.46586512
  H     -4.62853785      1.31341664     -0.53341893
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  O     -7.78571319      3.33000292      6.58260946
  H    -10.37670325      1.45679878      3.80935236
  H     -4.47449492      1.47465747      2.79958920
  O     -2.72971543      3.29911413      1.10157299
  H     -9.03792733      0.74208205      4.07517534
  H     -7.22172561      1.37220756      2.11579668
  O     -4.34469221      2.35268498      3.18017463
  H     -7.36872024     -1.14116407      0.31698499
  H     -6.96504204      2.82216453      1.63891325
  O     -7.21636397      1.94236752      1.33357211
  H     -6.29281834     -0.33551839     -0.43525285
  H     -5.80251837      4.56606715      1.42601427
  O     -6.14876849      4.31226866      2.29029600
  H     -3.75193851     -0.04400617      1.40333882
  H     -5.49876589      3.70036795      2.66938246
          69
 Energy    -248.04534750293860     
  O     12.18667201     10.59765068    -15.20461097
  H     12.51972067      9.90822181    -15.79816744
  H     20.42598918      8.41138463    -14.81309486
  O     15.98734554      6.52769548    -13.09717329
  H     12.85879223     11.28719443    -15.20324264
  H     15.29881020      8.03501392    -13.89871915
  O     17.30317936     10.66361970    -11.65328093
  H     16.76274823      6.97456880    -12.73021490
  H     14.39056713      8.70353622    -14.98082232
  O     16.48591123     10.57667081    -15.72342606
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  O     13.05549012      5.84573492    -15.93501389
  H     17.27544240     10.66093909    -10.68873838
  H     10.22642083      9.43101587    -13.04200617
  O     14.46860249      9.19358610     -8.58125417
  H     16.41127119     10.87852994    -11.95986260
  H     16.96346918      7.15588589     -9.25789061
  O     13.94503013      6.83823391    -11.25687501
  H     16.86621343      9.95437509    -16.35154306
  H     17.96798312      7.62189124    -10.35043827
  O     14.74833993     11.07270666    -12.65176200
  H     16.01423524      9.99918464    -15.10218413
  H     12.76058969      6.51271019    -12.69424070
  O     17.48851989      8.06965365    -16.73191867
  H     12.53125255      5.11032134    -16.23990669
  H     11.78971698      7.47803975    -13.39272894
  O     15.17977816      6.58171525     -8.75563122
  H     12.74264911      6.05854227    -15.03702675
  H     17.96580034     11.05247206    -14.66361178
  O     15.94844691      5.99001722    -15.80438806
  H     13.91249380      9.41356120     -9.34047193
  H     18.35069998     11.05647339    -13.17130228
  O     19.48647706      8.49757740    -14.67073465
  H     15.28223065      9.70493757     -8.67067501
  H     18.66278928      8.06145227    -13.00116154
  O     14.94666023      8.87643824    -14.20988816
  H     13.70268596      7.77255236    -11.19011784
  H     17.81826304      8.93689914    -12.04211845
  O     11.16461491      9.26020361    -13.06722896
  H     14.31555357      6.59078445    -10.40092450
  H     17.63307511     10.62808019     -8.16108584
  O     17.75815396      7.68199846     -9.40939426
  H     14.59890897     11.75127017    -13.31804764
  H     17.41627342      9.34212467     -8.99693259
  O     12.20621263      6.61199467    -13.47831872
  H     14.74365297     10.23070425    -13.14084210
  H     15.63256380      8.45508539    -19.40387636
  O     18.72326476     11.03599967    -14.06285285
  H     18.22070148      8.15197614    -16.11208373
  H     16.23650767      8.38811993    -17.99247720
  O     18.11842330      8.03059978    -12.20556155
  H     16.96441024      7.30837296    -16.42998574
  H     13.68167923     10.18825870    -11.48208752
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  H     12.34187122      9.44928397    -11.61805067
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  H     14.97934174      6.08442364     -7.96723712
  H     15.19516311     11.85488307    -15.48644067
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  H     15.00763558      5.85898566    -15.96440239
  H     14.57004766     13.26369822    -15.56024252
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  H     16.03924345      6.00794988    -14.84046979
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  H     19.31737831      9.43679053    -14.47459788
  H     14.08512785      8.60949489    -17.28214589
          69
 Energy    -248.04486375242823     
  O      0.99028072      3.88252076      3.30236192
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  H      1.79677550      7.89974194     -3.07617115
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  H      1.71791377     10.12764709      2.76910641
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  H     -1.54323545      7.38145873      3.56308886
  H      3.65975070      5.57052564     -2.53152349
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  H      2.66833821      4.48877437     -2.02156422
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  H      0.94806066     11.23005793     -1.81986328
  O     -0.56749153      8.45379039     -0.27778471
  H      3.90006547      5.68269623      3.22057035
  H      1.36709397      5.14575372      4.84082095
  O     -0.35077108      5.90777530     -1.37611798
  H      5.55866239      7.22957003     -2.43812056
  H      2.63251577      6.01342402      4.95520947
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  H      4.78402389      7.12784675     -1.10388804
  H      5.40100419      9.36823299      3.27604214
  O      0.72744628     11.01163973      1.60279452
  H      2.57717108      4.78332453      0.85312569
  H      3.90597611      9.03725868      3.06685383
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  H      2.31252954      6.08211489      1.64979746
  H      0.70043323      7.83323779      0.92532249
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  H     -0.20632238      6.47818759      2.33545368
  H      1.54224163      8.14536228      2.20087813
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  H     -0.38316132      5.14427105      3.06202745
  H     -0.73444428      3.01489768      0.87303426
  O      4.80929487      8.70047497      2.93905811
  H      1.70521659      5.77848666     -3.56326316
  H     -0.39323588      1.50768906      0.97628852
  O      1.19856414      7.43286595      1.64789863
  H      0.76982221      6.14699693     -4.74141499
  H      4.91556998      7.70675202      1.33497859
  O     -0.02573562      2.38026644      1.08682438
  H     -1.44887514      4.85874318     -0.25530289
  H      4.26144833      6.37736692      0.92181316
  O      4.84578878      7.07785286      0.60730846
  H     -1.64193082      4.94398453      1.26989663
  H     -1.83595905      9.33507104      2.52861622
  O     -1.90535268      9.88323656      1.72609332
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  H     -2.76004737     10.30418528      1.75589229
          69
 Energy    -248.04482940908883     
  O     15.25632508     10.60415277    -16.17760026
  H     14.45734257     10.12922566    -15.92938594
  H     18.90930390      4.87166539    -14.64511654
  O     13.53756613      4.26660191    -15.71916532
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  H     18.87531957      7.26029163    -17.29852619
  O     17.86882301      7.29547085    -11.52116016
  H     13.37767190      4.45250693    -14.78529569
  H     17.70530157      7.65694893    -16.37282547
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  H     13.60938839      5.13534369    -16.14057986
  H     16.69627110      6.08647851    -14.94540881
  O     16.85419917      4.92676022    -18.33151763
  H     17.30561755      7.88565019    -12.04252692
  H     15.62155345      6.87563191    -15.76229875
  O     13.47233323      6.64068453    -10.53794269
  H     18.70865325      7.26023892    -11.99163797
  H     12.06776415      9.41869103    -15.36812960
  O     13.45540140      5.14892823    -13.04747588
  H     20.35269621      5.26968492    -18.02736820
  H     13.11763517      8.70299403    -14.48814694
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  H     19.67988377      5.39252911    -16.63886972
  H     15.99410850      4.56997830    -11.23371820
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  H     16.53173021      4.26146709    -17.71276639
  H     15.68505334      3.08783059    -11.54433027
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  H     13.59029471      7.61254522    -16.38330971
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  H     14.30288347      6.92162763    -17.60557030
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  H     21.05999017      7.65494767    -12.84491524
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  H     13.61389776      6.09503236    -13.16958805
  H     19.91384172      8.19571579    -13.72686713
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  H     14.27975226      4.76115986    -12.72620867
  H     16.85954778      6.38683639    -10.51947315
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  H     16.52367533      5.86639515     -9.10037058
  O     15.79987127      3.94429723    -11.95021258
  H     16.57301168      9.64804517    -13.50521544
  H     15.79253350      6.15316177    -18.95678108
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  H     16.74793907      4.21719217    -13.52130672
  H     14.85964937      6.59829615    -20.10825530
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  H     16.74084209      3.85015982    -15.03984687
  H     14.58943525      8.34538766    -12.97545198
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  H     18.72543303     10.11881990    -14.63971106
  H     13.50135250      7.77156057    -12.02850920
  O     15.15560420      6.83682414    -19.23417751
  H     19.15417894      9.02529493    -15.63521055
  H     16.48056786     11.01874828    -15.05655742
  O     13.67232663      8.03244015    -12.94257906
  H     15.67610235      2.14371422    -16.65565604
  H     17.13341933     12.09419617    -14.15553605
  O     17.15131404     11.16445128    -14.36306085
  H     14.95741683      3.43283407    -16.18298993
  H     15.90803609      8.53789920    -18.77478969
  O     16.32704323      9.29799735    -18.35626823
  H     19.94588282      5.96959697    -14.31669892
  H     17.14334647      8.95312868    -17.96804973
          69
 Energy    -248.04479126752847     
  O     11.03935357     10.43604818    -11.12579781
  H     10.48366632     10.31017285    -11.90492409
  H     19.57540669      6.70211633    -15.94022847
  O     13.57492065      8.03867788    -15.25693616
  H     11.87457705     10.80105287    -11.44513189
  H     14.80506482     12.26398273    -14.92121399
  O     17.54295660      8.63879731    -10.45613972
  H     12.98095478      8.77698293    -15.05626759
  H     15.33991409     13.51100288    -14.17632251
  O     17.58404274      9.05271297    -16.62987501
  H     14.36097850      8.15126117    -14.69670903
  H     15.47294185      8.58539111    -12.72159939
  O     12.09060802     10.25696635    -14.57421586
  H     18.14678097      9.12785788    -11.03357679
  H     16.21428024      7.50525485    -13.58259573
  O     15.35537238      4.95750531    -10.64339967
  H     17.74907429      7.70479261    -10.57342195
  H     10.46745468      8.06340412     -9.08951699
  O     12.74244684      6.13827108    -13.37776302
  H     16.69328656      9.06609267    -16.99890479
  H     10.99476324      8.91315303    -10.27124034
  O     14.96957487      9.16046024    -11.09742532
  H     17.57714931      9.69115678    -15.90434020
  H     10.99753655      6.67193358    -12.88840953
  O     14.83881427      9.09020199    -17.47959486
  H     12.56550309     10.53146582    -13.77520947
  H     10.36996458      7.28509276    -11.61684293
  O     14.87708119      4.29359881    -13.40924565
  H     11.17846545     10.08099720    -14.31513935
  H     19.86436128     10.61871568    -12.36439407
  O     17.22545012     10.54963941    -14.27077514
  H     14.67248538      5.62614872    -10.49680407
  H     18.51898309     10.27014315    -13.01731803
  O     18.66755581      6.73369437    -15.65092163
  H     15.13886017      4.55450677    -11.49265982
  H     17.70311545      6.13582701    -14.31211326
  O     15.24569366     12.56466966    -14.10549868
  H     13.37740190      5.41280549    -13.42853898
  H     17.54098848      5.90063294    -12.75745243
  O     15.71980935      8.33354129    -13.62193068
  H     12.96765960      6.74776079    -14.09395773
  H     17.01398340      5.50673158    -10.72527456
  O     10.93599181      8.00720728     -9.91759530
  H     14.43402566      8.39353600    -10.85441356
  H     18.51514369      5.31200716    -10.40218612
  O     10.21315793      7.12753657    -12.55638664
  H     15.86626350      9.03681532    -10.74824032
  H     14.31092321     10.82104319    -16.76476643
  O     19.11393695     10.03486766    -12.28864386
  H     14.50997661      8.74230349    -18.30523476
  H     13.16696542     11.16914318    -15.79157467
  O     17.07968352      5.90678352    -13.60603900
  H     14.37392212      8.61338767    -16.77240071
  H     13.14899047      6.70031148    -11.66370276
  O     17.91096382      5.82944915    -10.92788675
  H     15.01316665      3.47805093    -13.88476145
  H     12.55279327      7.24309765    -10.33734687
  O     13.93711001     11.54140641    -16.24460899
  H     15.66509889      4.84312708    -13.56472487
  H     14.12364689     11.70301058    -12.81401773
  O     13.36805696      6.93082964    -10.74942806
  H     16.63222229     11.30558709    -14.19320932
  H     14.05378933     10.48210219    -11.85304182
  O     13.51500300     11.12191745    -12.34351795
  H     16.69501562      9.76092147    -14.07461830
  H      9.77505466      8.68128235    -13.21442201
  O      9.61147865      9.60274127    -13.48570642
  H     18.29308073      7.54194887    -16.04032915
  H      8.69160607      9.66131631    -13.72777983
          69
 Energy    -248.04451794174526     
  O     10.54530900     10.94573637    -12.06922622
  H      9.89731337     11.55159047    -12.42094832
  H     18.33315328      6.34773647    -14.50449541
  O     14.44465320      6.93953762    -15.03172613
  H     11.32078226     11.02226683    -12.64693773
  H     15.47994401     11.47473692    -15.38949337
  O     16.68747768     11.38900289    -10.63793225
  H     14.73477574      7.00012932    -15.94901235
  H     14.76312441     12.72073669    -15.95641781
  O     17.63467500      8.63651465    -16.64897922
  H     15.00024020      7.55014156    -14.52210834
  H     15.45008815      9.09768168    -12.76671862
  O     12.14239848      8.50833612    -14.94423402
  H     15.85545144     11.00405249    -10.96292569
  H     16.32023993      9.32178846    -14.02926113
  O     15.61413359      6.84166451     -9.52927360
  H     16.45390306     12.16229811    -10.13101606
  H      9.80578380      8.51028681    -10.13898491
  O     13.54124986      5.88145491    -12.61422906
  H     16.84336673      8.29578660    -17.08245347
  H     10.48121194      9.40084424    -11.20894025
  O     14.46789962     10.14266258    -11.61469272
  H     18.08194581      7.86956901    -16.26563456
  H     18.86936663      7.62696814    -12.13198944
  O     15.14900713      7.65812723    -17.67242282
  H     12.93756911      7.96226516    -15.02408516
  H     20.33884873      7.97807291    -11.81469880
  O     15.89961627      4.90038683    -11.34271557
  H     11.53138427      7.99416475    -14.39897067
  H     11.65166548      6.35225790    -12.90939780
  O     16.98643401     10.69911615    -15.02642023
  H     16.28676946      7.53865533     -9.51299187
  H     10.63706943      7.35480318    -12.32258902
  O     18.71027287      6.37683718    -15.39673309
  H     14.76921974      7.26636253     -9.71971884
  H     18.91613663     10.01546236    -12.47435929
  O     14.60598949     11.85282217    -15.59349187
  H     13.83379280      6.13237071    -13.50206700
  H     17.94980806     11.12981374    -12.04179312
  O     15.91864503      8.64053591    -13.47430298
  H     14.28262033      5.41477721    -12.20956170
  H     17.00337937      7.31037792    -13.03423517
  O     10.50408906      8.52437662    -10.78838458
  H     14.03404310      9.39043215    -11.18720745
  H     17.08805901      5.91685778    -12.35388475
  O     19.44591133      8.30734999    -11.74801551
  H     13.87142116     10.46932199    -12.30143101
  H     18.27307071      8.63680895    -10.26923897
  O     10.86632051      6.87130103    -13.12511692
  H     14.97352405      7.28642868    -18.53274448
  H     17.27635539      9.73396146     -9.87754407
  O     18.51704079     10.84282256    -12.76869895
  H     14.55310914      8.42179389    -17.57105183
  H     12.80751603      9.36183024    -16.51726499
  O     17.60089029      6.56983607    -12.84396313
  H     16.02854827      4.05420941    -10.92356170
  H     13.84250871     10.48794973    -16.71149134
  O     17.53781533      8.82831280     -9.67498471
  H     15.82927069      5.56203970    -10.62770426
  H     12.29516028      8.07961770    -10.58170228
  O     13.45246442      9.71817408    -17.14268427
  H     17.62835775     10.83544655    -14.31365240
  H     13.32447583      7.21707008    -11.36195271
  O     13.23647476      7.88664834    -10.66791385
  H     17.33081701     10.04487090    -15.65577170
  H     13.36894656     11.32535260    -14.31364792
  O     12.78493243     10.86992180    -13.69511486
  H     18.89887389      5.47140215    -15.63144254
  H     12.53621366     10.02924841    -14.11118080
          69
 Energy    -248.04445277665121     
  O     15.33047813      7.68995003    -10.15685653
  H     14.87232741      6.85093889    -10.00093925
  H     17.61831502      7.39885100    -16.92114431
  O     15.82493159      5.27612392    -15.70750492
  H     14.72262158      8.21614917    -10.69687410
  H     17.45062192     11.41696072    -14.29000863
  O     16.99483629     10.03496703    -10.11950601
  H     16.12873243      5.85798904    -16.41411751
  H     17.53388783     12.91177695    -14.67440508
  O     18.13930479      9.80724285    -13.90685265
  H     16.53961185      5.25290911    -15.06057234
  H     16.34057666      7.71918733    -12.97775355
  O     10.53495525     10.85441884    -13.48418248
  H     16.38086240      9.30936127     -9.95684456
  H     15.08984526      8.63100770    -12.99780380
  O     11.41282187      8.15226511    -13.18065281
  H     16.51932069     10.72057605    -10.61178643
  H     13.39903150      5.41379730    -10.96414168
  O     15.78299376     11.96240630    -11.73004630
  H     17.28080911      9.37042238    -13.79084974
  H     13.40751444      4.76024362     -9.57324499
  O     14.39404167     11.33068332    -15.33819645
  H     18.61911260      9.67293062    -13.07894940
  H     18.58101545      4.60893464    -13.71042645
  O     13.16080714      5.09191068    -15.21611381
  H     10.85324395     10.79226932    -14.40344585
  H     17.85987918      5.81922532    -13.07827014
  O     15.01824035      8.73649842    -16.08635728
  H      9.68851244     11.29200825    -13.51350666
  H     11.95564835      6.42499039    -12.59457318
  O     12.44999586      7.77052948    -15.75478630
  H     11.73969988      8.03554158    -14.08544811
  H     12.76686584      5.36956142    -13.35896291
  O     16.87761115      7.23387428    -17.53270009
  H     10.96502958      9.00606925    -13.16249560
  H     19.94648595      9.26816819    -10.87206229
  O     16.92780999     12.22886945    -14.39745199
  H     16.22929580     12.14508099    -12.56420758
  H     18.41596427      9.52103649    -10.87508742
  O     15.83769590      8.32744071    -13.53089483
  H     14.84124544     12.02421287    -11.93222962
  H     18.67194741      8.40443504    -15.09233940
  O     13.90079701      5.35343843    -10.13339474
  H     15.22794450     11.76123219    -15.11330750
  H     18.64140781      6.85748676    -15.02411589
  O     18.07295826      5.38829633    -13.92279360
  H     14.63445523     10.45251434    -15.66894121
  H     18.13397161      7.56913674    -11.58590254
  O     12.48660222      5.62808845    -12.47333928
  H     14.12077395      5.14224287    -15.36877056
  H     16.74855696      7.05503606    -11.10267498
  O     19.15487302      9.13431492    -11.38467603
  H     12.86497697      4.27611204    -15.61242002
  H     11.82708528      9.58268482    -16.03787318
  O     18.75914362      7.60424080    -15.62487523
  H     15.32454461      8.48469396    -15.19996575
  H     12.56345307     10.93186757    -15.88204134
  O     17.46449989      6.88825595    -11.73331666
  H     15.60636399      8.30604855    -16.71679323
  H     12.23853353     11.52427027    -12.90975207
  O     11.68573186     10.53140564    -15.92316741
  H     13.33981963      8.11136777    -15.92865704
  H     13.57113461     11.56880898    -13.69651146
  O     13.18822756     11.65992607    -12.81114728
  H     12.55909055      6.81549159    -15.66308889
  H     12.93577290      8.64054724    -12.28778140
  O     13.72564848      9.07399373    -11.93982736
  H     17.24830910      7.17115303    -18.40828020
  H     13.61099044     10.01694411    -12.11125634
          69
 Energy    -248.04442149997135     
  O     12.26843903     11.95471046    -14.73697039
  H     12.22613577     11.53250681    -13.85967102
  H     18.01949881      5.82130888    -16.42291113
  O     15.87708324      6.87788233    -13.11598599
  H     11.52447387     12.54837667    -14.79003605
  H     16.88397990     12.28359341    -17.79053509
  O     17.62524534      9.29939654    -15.94424621
  H     16.80962423      7.04624440    -13.30035210
  H     16.01699797     11.95229182    -16.55654086
  O     12.65676695      6.99784207    -14.70537482
  H     15.51977347      6.43888981    -13.90027833
  H     15.58147406     10.07684975    -13.83548934
  O     16.65513140     10.90142815     -8.93036130
  H     17.52431548     10.11493020    -16.44839838
  H     15.42032768      8.51819868    -13.84177168
  O     14.48660635      7.86836412    -10.97704343
  H     16.79309171      9.22507061    -15.45165478
  H     12.02576959      9.70721521    -12.34649855
  O     15.97484203     11.50844221    -12.84506306
  H     13.38793765      6.45530268    -15.01656398
  H     12.87949607     10.80950480    -11.69671241
  O     17.81919145      7.04393803    -17.62014761
  H     12.69169357      7.82334927    -15.21070178
  H     18.88927870      7.99644145    -12.33105531
  O     16.85988479      8.24709321     -9.46046095
  H     16.74954988      9.93451456     -9.00987608
  H     19.86706132      8.03977735    -11.14149880
  O     15.05965682      6.87892683    -18.18511582
  H     16.80291562     11.11960974     -8.01438449
  H     11.14083005      7.35196608    -11.95956262
  O     15.16771472      5.77479681    -15.58321662
  H     13.56490033      7.78288882    -11.25138958
  H     12.18897113      7.46309739    -13.08977038
  O     18.00936780      5.22922815    -15.64715859
  H     15.00330187      7.44325137    -11.67791745
  H     18.47708223      6.63862759    -14.49570983
  O     16.56305587     11.55872024    -17.26082079
  H     16.85692742     11.44549109    -12.45251615
  H     18.35207918      8.17862159    -14.63801561
  O     15.36115597      9.31146367    -14.38520164
  H     15.35420599     11.32475367    -12.12767635
  H     18.56004820     10.18042823    -11.39477633
  O     12.19473886     10.65672300    -12.36067015
  H     17.81929546      7.87996937    -17.13309675
  H     17.79486447     11.15361393    -10.48280964
  O     18.98755900      8.29458247    -11.41320538
  H     16.92842728      6.95836162    -17.98340865
  H     14.01921635      9.59540473    -17.41177055
  O     11.95160107      7.79072823    -12.20427364
  H     17.54691460      8.14836615    -10.13129329
  H     15.33695185     10.22440838    -17.91630640
  O     18.50024759      7.46701375    -13.99886486
  H     16.02682217      7.98547958     -9.87414679
  H     14.47691096      9.70133221    -10.77224950
  O     18.23509247     11.08670676    -11.33999029
  H     14.55826815      6.52795600    -18.91604702
  H     15.08332621     10.89133735     -9.99438616
  O     14.68878708      9.53789235    -18.10889773
  H     14.93155088      7.84486518    -18.19738172
  H     15.42844926     12.36996498    -14.38997693
  O     14.43655925     10.66429588    -10.67322090
  H     15.07026523      6.17703313    -16.45787226
  H     14.09127583     12.45427966    -15.14432162
  O     15.04085828     12.58207238    -15.25070487
  H     16.06167837      5.41031742    -15.57217519
  H     12.64452823     10.33639594    -15.58999696
  O     13.06874680      9.51293733    -15.85769732
  H     18.50040319      4.44798023    -15.88622667
  H     13.89209169      9.46114732    -15.34316042
          69
 Energy    -248.04425903633000     
  O      0.55892632      5.94296644     17.71237498
  H      0.19077774      5.11059083     17.42756703
  H      0.99985742     11.66401248     19.85691565
  O      3.29645777      8.95906650     15.12847435
  H      1.51511730      5.80372641     17.82788982
  H      5.51597943     12.42442396     19.00713520
  O      2.45423759      9.66258997     22.15529113
  H      2.40324118      8.69472769     15.42092777
  H      4.82671901     11.26288597     18.22376800
  O      1.86219416     13.78434364     21.62300322
  H      3.25230808      9.07801784     14.18409751
  H     -0.93273565     10.18426026     18.18022482
  O      4.19879533      5.61355593     20.83006457
  H      1.81180974     10.23259837     21.71067421
  H      0.09679164     11.12673747     17.54086743
  O      0.86944212      8.29709895     16.05663898
  H      3.30934399     10.06570747     21.97649917
  H      2.15698142     11.81167182     17.83885661
  O      2.36823685     14.79180199     19.16212491
  H      2.70926996     13.56063340     22.02780992
  H      1.72961852     13.20852937     18.38457449
  O      1.82335040      6.95711835     21.94936663
  H      1.39044101     12.95145112     21.48634489
  H      4.19862269     14.32781559     19.43569740
  O      2.76685028      8.54400981     19.04148611
  H      4.73928312      5.02858339     21.35504678
  H      4.95698871     13.87313445     20.69235164
  O      3.23823214      5.87149916     18.16920147
  H      4.67195449      6.46162522     20.77463188
  H      5.20397223     11.03871827     20.52704786
  O      0.16612811      7.65749790     19.92751663
  H      0.67336769      7.49579547     16.55143686
  H      5.23438880      9.75832794     21.35900932
  O      0.72474152     11.36495974     20.73537201
  H      0.37008733      9.01385341     16.47711196
  H      3.14493749      9.91039952     17.98367026
  O      5.59654115     11.48992389     18.76715783
  H      2.01556427     15.66978490     19.04506629
  H      3.43261001     10.21184816     16.49740241
  O     -0.45106537     10.35162599     17.36229200
  H      2.13698692     14.51279253     20.06762854
  H     -2.33238374      9.55640129     20.35326070
  O      1.41180322     12.31881017     18.19148389
  H      2.60450187      6.46759074     21.67508176
  H     -0.93685655      8.98181262     20.00583120
  O      5.04790843     13.98199753     19.73798939
  H      2.10281156      7.86936052     22.12950596
  H      5.81929816      8.32629286     19.71187983
  O      5.06051760     10.70481262     21.42437174
  H      2.92395492      7.69334524     18.61128551
  H      4.30389976      8.36467188     20.04068974
  O      3.41759120     10.61424976     17.37330196
  H      1.89418634      8.47954461     19.44467904
  H      4.95160448     13.34188165     23.31468750
  O     -1.47993574      9.79131133     19.99774701
  H      3.59678328      5.64194923     19.03541231
  H      4.74242543     12.27172256     22.22191313
  O      5.17260627      8.11883009     20.39868660
  H      3.94881483      6.24662891     17.62499814
  H      7.70558750      9.12268335     18.11978695
  O      4.53027010     13.18591683     22.47310256
  H      0.65438020      7.30279867     20.68756402
  H      6.45014906      9.97259443     18.41755480
  O      6.76764454      9.06300725     18.28375822
  H      0.20335124      7.01488581     19.20946348
  H      4.49538021      7.87875615     16.11174221
  O      5.01380547      7.34140222     16.72538176
  H     -0.11933473     10.91512955     20.60875880
  H      5.62801058      7.94025903     17.16399375
          69
 Energy    -248.04420483886636     
  O     18.22485676     17.37712842    -14.37588122
  H     18.04630671     18.02442851    -15.06818656
  H     19.17625693     16.79044386    -18.69913506
  O     22.29679540     14.96334753    -14.68380999
  H     18.40612916     16.54612344    -14.84081887
  H     15.24665920     12.31746489    -13.82655368
  O     16.05615342     14.02532157    -13.74321244
  H     23.16755773     14.97143300    -14.29528967
  H     15.80137115     10.93770799    -13.42107993
  O     16.89129390     12.03558583    -17.53711427
  H     21.73614470     15.53308411    -14.12582266
  H     18.19093797     11.81758932    -12.89782640
  O     17.47309816     10.12645509    -12.85053418
  H     16.89209641     13.58867819    -13.52082552
  H     19.12216653     12.80804012    -13.67206609
  O     15.18318400     10.17245979    -16.35794456
  H     16.05020097     14.85266232    -13.24728483
  H     18.36106346      9.65375963    -15.88193032
  O     20.85347096     13.14238015    -18.03337594
  H     16.22253536     11.39257877    -17.26834752
  H     16.84561457      9.36077859    -15.79966594
  O     22.06799806     15.56412711    -17.54239708
  H     17.73432273     11.69378775    -17.21235562
  H     16.66235748     16.65970497    -18.67868976
  O     16.55374278     16.45405485    -12.40034558
  H     17.56288334      9.43483671    -12.20047189
  H     15.97174694     16.10414954    -17.41475399
  O     20.22209762     13.17249752    -15.12978079
  H     17.59848263      9.71384303    -13.72351512
  H     20.15903141     15.93088601    -12.45533279
  O     18.42050177     13.58111712    -19.37153650
  H     15.06517657     10.61695293    -15.49873122
  H     19.95366866     16.98144907    -13.54901024
  O     19.66203915     17.04789810    -17.90294738
  H     14.35735275      9.74389176    -16.56476613
  H     17.09582557     18.18009971    -17.12133036
  O     15.09971125     11.36808375    -13.92494048
  H     20.63567727     13.10140472    -17.09578305
  H     17.44578804     19.68336301    -16.98729926
  O     18.42448042     12.74825972    -13.00807893
  H     21.39519931     13.94343338    -18.09322111
  H     18.09065542     15.52429190    -11.57530667
  O     17.69312858      9.17131746    -15.37777358
  H     21.35658762     16.20478294    -17.67175580
  H     18.77962482     14.17903507    -11.84069580
  O     16.17086021     16.92201993    -17.88955470
  H     22.18903936     15.47771040    -16.58925629
  H     19.67939395     11.62650199    -15.97613193
  O     20.62719935     16.42392474    -13.14531125
  H     17.11466560     16.87027401    -13.07709531
  H     19.95917034     11.23689574    -17.43074426
  O     17.73211471     18.81015062    -16.73454749
  H     16.08024553     17.15708564    -11.96324331
  H     19.07333997     15.74455511    -16.73071928
  O     18.91692325     15.04677501    -11.43814140
  H     19.62254461     13.88130920    -15.42239250
  H     17.79193761     14.97077483    -16.27193516
  O     19.40702235     11.01352814    -16.67538022
  H     21.05143840     13.61217299    -14.90167398
  H     18.10788199     15.20203652    -19.80127351
  O     18.70023081     15.19519423    -16.02923566
  H     19.29240655     13.42354870    -18.98324839
  H     17.95733435     16.27329607    -20.90811077
  O     17.97301003     16.15421442    -19.96268204
  H     17.79804480     13.02641810    -18.88775026
  H     16.26710359     13.62648939    -16.88808717
  O     16.07215887     14.48422500    -16.48614204
  H     19.17028682     17.77991763    -17.51122860
  H     15.94504414     14.33596931    -15.53826426
          69
 Energy    -248.04354558090188     
  O     16.07104735      6.30429470    -13.03920756
  H     15.98670295      5.61429294    -13.70662181
  H     15.36166455     11.40897739    -16.58698833
  O     17.74661471     10.97236521    -12.13192619
  H     15.89372220      7.14568900    -13.48710020
  H     14.68313423      8.45777617    -14.81046153
  O     18.49849465     11.01189158    -16.72631866
  H     17.52198459     10.81371907    -11.20048805
  H     15.36428785      9.45723314    -13.83280050
  O     12.98897178      5.46944371    -14.89664883
  H     18.31580992     10.24713688    -12.41464974
  H     12.13652695      8.55695334    -14.11022510
  O     14.20732021     11.08537958     -9.10158295
  H     19.18192886     11.44051561    -17.23354871
  H     11.77364930      7.67523115    -12.90489059
  O     14.54378277      6.95424156    -10.84759232
  H     18.33876942     11.56522178    -15.93961033
  H     17.36298096      7.27982968     -9.93463518
  O     15.08808216     10.96784642    -12.88857797
  H     12.78897199      5.49792226    -13.95283243
  H     17.12958226      7.11384007     -8.41267672
  O     16.52880227      6.57102334    -16.92766075
  H     13.86271623      5.07001728    -14.98802224
  H     13.03793817      6.24634234    -11.58945844
  O     17.99910777      8.54884998    -15.50095908
  H     13.59075281     11.78474794     -8.90041823
  H     11.72149810      5.44358182    -11.56360520
  O     15.69315815      4.61828355    -15.24041999
  H     13.79436818     10.55963516     -9.80476163
  H     17.86955037     12.06776756    -13.66691003
  O     19.37343977      8.85335783    -13.13067587
  H     15.18437570      7.10707383    -10.14220393
  H     16.89422850     12.65108332    -14.71649491
  O     15.70334946     10.83708177    -17.28532955
  H     15.06039695      6.67454394    -11.61948095
  H     18.72443204      7.56735254    -11.90238834
  O     15.50664689      8.65097580    -14.34238052
  H     14.51002387     10.54169114    -12.24275871
  H     17.55466978      6.57723267    -11.99259999
  O     11.76854337      8.58830661    -13.21735792
  H     15.98894840     10.98817178    -12.53416898
  H     15.98364884     10.68893549     -9.38353567
  O     16.76044469      7.50249549     -9.20122149
  H     15.88507736      7.15109238    -17.35288497
  H     16.83137651      9.40302733     -9.43771738
  O     12.29896356      5.94032465    -12.13880656
  H     17.18463537      7.15425130    -16.52531093
  H     15.01448201      9.32006123    -17.76963818
  O     17.82517859     12.45726275    -14.55016892
  H     18.20799181      9.35058860    -15.99794725
  H     14.36597463      8.51005997    -18.91648961
  O     18.23383883      6.91394013    -11.39091517
  H     17.09821302      8.64972748    -15.15260655
  H     12.74323595      9.32330540    -11.91637913
  O     16.84492600     10.34203660     -9.65444771
  H     16.02878358      3.77534278    -15.53244788
  H     13.84755670      8.66830058    -11.05512653
  O     14.64599869      8.44998075    -18.00688873
  H     15.99433610      5.28049763    -15.88875927
  H     14.34544099     13.22078579    -15.03298045
  O     13.41385439      9.51094879    -11.24282166
  H     20.30502203      8.96018784    -13.30816089
  H     14.91950854     11.98999578    -14.29454404
  O     15.00181507     12.53200456    -15.09865364
  H     18.94435691      8.67481645    -13.98366210
  H     13.49841439      8.19672309    -16.54068805
  O     13.13692302      8.09057699    -15.65332699
  H     16.66351426     10.91178293    -17.23474187
  H     13.03412983      7.13885853    -15.48848604
          69
 Energy    -248.04346021099462     
  O     11.57034750      9.59287922    -11.01984800
  H     10.86475510      9.37717388    -11.64131347
  H     18.93794441      6.30841869    -16.91143574
  O     13.59137617      7.73136121    -15.20344471
  H     12.08798172     10.28933784    -11.44139936
  H     14.47928051     12.03556237    -15.36640068
  O     17.51263589      9.81149622    -10.15934325
  H     12.94739648      8.42571871    -14.99986789
  H     15.03517173     13.38147224    -14.84386414
  O     17.31155726      9.03636629    -16.98516055
  H     14.40999462      7.95173167    -14.72819557
  H     15.63179126      8.61696681    -12.90742010
  O     11.89385383      9.81550015    -14.56046338
  H     18.08034663      9.99338287    -10.91885708
  H     16.39739544      7.51387260    -13.73720165
  O     15.62413266      5.95613785    -10.16710377
  H     17.74653734      8.92630846     -9.85005981
  H     18.83870177      7.17678953    -11.23152988
  O     13.04765022      5.96076699    -13.11253857
  H     16.38470490      8.99370914    -17.25137996
  H     19.16080871      8.21552548    -12.32976129
  O     15.13385363      9.41384298    -11.41818485
  H     17.35702255      9.67655366    -16.26485270
  H     11.26716044      5.97365397    -12.85637286
  O     14.52721035      8.73768718    -17.60003920
  H     12.39777210     10.26776557    -13.86615368
  H     10.09654442      5.53944263    -11.96257524
  O     15.43140818      4.53338266    -12.65772860
  H     11.07973260      9.49649429    -14.15455255
  H     19.79900681     10.64052946    -12.74973126
  O     17.13255336     10.57066099    -14.57629324
  H     14.79108782      6.44492880    -10.15454830
  H     18.39661010     10.32779052    -13.30833324
  O     18.18339489      6.50613657    -16.36282988
  H     15.58811227      5.39713188    -10.95200574
  H     17.68863465      6.08993682    -14.71432262
  O     15.00531954     12.44674083    -14.65663015
  H     13.81870589      5.39259352    -12.99242131
  H     18.08840079      6.36718900    -13.22091386
  O     15.83535421      8.29606995    -13.79808070
  H     13.20793006      6.49533765    -13.90250489
  H     17.15150766      6.67580353     -9.73609808
  O     19.13199558      7.26862288    -12.14731124
  H     14.58438000      8.73374596    -11.00858625
  H     18.33081096      6.69353238     -8.73720837
  O     10.32651460      6.12999079    -12.67643382
  H     15.91059876      9.58910139    -10.86919687
  H     13.85455971     10.42716307    -16.98653736
  O     19.01962704     10.11143194    -12.59614921
  H     14.23242488      8.25210906    -18.36686683
  H     12.77411805     10.75078944    -15.93647366
  O     17.39945269      5.99731600    -13.79492468
  H     14.18573805      8.26499920    -16.82297932
  H     13.17561190      6.97533283    -11.52137850
  O     18.01305860      7.08723184     -9.54527691
  H     15.61486359      3.60310275    -12.76079030
  H     12.63061377      8.15443958    -10.67461399
  O     13.47092099     11.14979287    -16.47573684
  H     16.15487204      5.01165703    -13.10073492
  H     13.93368947     11.71538924    -13.23268448
  O     13.30130868      7.45559263    -10.69228861
  H     16.48062416     11.28149208    -14.58468400
  H     14.05973910     10.58183307    -12.19246894
  O     13.41668711     11.13848633    -12.65919147
  H     16.65191694      9.75575672    -14.35629949
  H      9.89361770      7.81469095    -12.96518828
  O      9.73805381      8.76700434    -13.08686264
  H     17.90379039      7.40361385    -16.60873312
  H      8.79394365      8.88732054    -13.14741049
          69
 Energy    -248.04341314722706     
  O      1.69341667      1.20263067      3.55476954
  H      2.47550365      1.50236659      4.00996637
  H     -4.09535803     -1.06093312      4.62089329
  O     -0.74508711     -2.32633559     -2.85035003
  H      1.15271410      0.71686393      4.20672600
  H     -2.33377441      2.21325965      5.50286090
  O      0.03392712     -0.18251999      5.14116608
  H     -0.60469919     -3.12381903     -2.32458585
  H     -2.91359908      0.81345902      5.70139966
  O     -2.17092783     -0.75531889     -0.93497805
  H     -1.40279681     -1.80551804     -2.37159636
  H     -2.05135812      2.33610108      0.09058356
  O     -0.07884271     -4.37895589     -0.93655115
  H     -0.71156162      0.34175328      5.47530956
  H     -0.57739186      1.98455252     -0.19542812
  O      1.96760080     -2.70555408     -0.34255102
  H     -0.33252035     -0.96804326      4.73004195
  H     -3.13533779      0.77001645      1.19778386
  O     -4.81959161      2.85604367      2.30965925
  H     -1.30428314     -0.33836254     -0.81345183
  H     -4.16417050      1.86590768      0.92455663
  O     -3.61456145     -2.72306395      4.10457932
  H     -2.82329754     -0.10399569     -0.65281324
  H     -1.71954221      1.10185350      2.87371813
  O     -0.64938811      2.64011322      2.84288102
  H      0.23419997     -5.26978604     -1.06696632
  H     -2.95532586      0.30458941      3.41618299
  O      1.62209372     -0.99281141     -2.61831067
  H      0.69406121     -3.84177001     -0.68387235
  H     -1.42401680     -3.65321610      0.06585819
  O     -6.48578616      0.78624498      3.43557112
  H      2.03800889     -2.12897786     -1.11378709
  H     -2.12505638     -2.26486230      0.03152544
  O     -4.16976054     -0.10328417      4.74526066
  H      1.86707766     -2.12287665      0.42122032
  H      0.54186585     -1.33307463      2.16283235
  O     -2.14023026      1.35974881      5.90495803
  H     -4.18830962      3.15194832      2.97657971
  H      1.55039749     -0.16545093      2.29255199
  O     -1.15269061      2.67366457      0.16673413
  H     -5.44884258      2.28645994      2.76897347
  H     -2.66821852      4.57954574      4.45029587
  O     -3.67305433      1.15490292      0.48526970
  H     -2.67990026     -2.66507468      3.87726963
  H     -1.96614008      3.40500168      3.73481473
  O     -2.29951231      0.34841511      2.70596274
  H     -4.06075366     -2.97823123      3.28734292
  H      0.84209443      0.08851770     -1.31554523
  O     -2.05660710     -3.09252848      0.53183047
  H      0.21950935      2.27100540      3.03419395
  H      0.65436644      0.01044695      0.22658147
  O      1.25479000     -0.87046514      1.70287311
  H     -0.73938928      2.74977717      1.88290357
  H     -1.30488974     -2.53581363      2.13691760
  O     -2.76966598      3.65844211      4.22115037
  H      0.79450764     -1.46264836     -2.82633879
  H     -1.47351107     -1.16888667      2.83293099
  O      0.31614176      0.42461682     -0.57971461
  H      2.05375975     -0.80772517     -3.44761311
  H     -3.72764424     -3.29769357      1.10627376
  O     -1.02519148     -2.02908208      2.91168924
  H     -6.32308342      0.22548309      2.65549256
  H     -5.06349439     -4.07250537      1.17808770
  O     -4.62201161     -3.28409888      1.48532045
  H     -7.42741520      0.78911810      3.58363264
  H     -5.10344304     -0.11558399      0.84710704
  O     -5.76774323     -0.67406789      1.26784917
  H     -5.02826528      0.18140863      4.41079865
  H     -5.39880805     -1.56422176      1.31154195
          69
 Energy    -248.04340399033168     
  O     16.50348406     10.41223676    -16.33433327
  H     17.32744483     10.78261726    -16.69105594
  H     18.89177761     11.16571357     -9.69992505
  O     20.87713010     10.30361318    -15.74386466
  H     16.05578803      9.99130801    -17.06486526
  H     19.47225957     18.06034192    -11.38128697
  O     19.36236398     12.89478883     -9.78789006
  H     20.76243743      9.54771450    -15.15715559
  H     19.18663007     16.69733199    -12.04710481
  O     14.86600071     12.16867958    -11.99542146
  H     21.15829652     11.03817094    -15.17833126
  H     21.57466137     11.21340074    -11.31834890
  O     20.93950182      9.55608421    -11.39096942
  H     18.61148010     13.11777777    -10.35822250
  H     20.86196994     12.47734831    -10.79073505
  O     16.48027544      9.82866706    -11.66994180
  H     19.78449654     13.73043482     -9.54046325
  H     17.17761480      9.43236980    -13.21671519
  O     18.95261823     11.30995595    -17.33787891
  H     14.88927351     12.21319203    -12.96847978
  H     17.17314395      9.58249524    -14.79047946
  O     20.56487312     15.02295847    -14.57232186
  H     13.96096314     12.31672454    -11.73534783
  H     19.80825550     14.49834293    -16.29504858
  O     20.70580534     15.26496253     -9.53059046
  H     20.73219276      9.09392400    -12.21179524
  H     19.23027588     13.26878739    -17.04880891
  O     21.22673349     12.41768084    -14.01506096
  H     20.11345566      9.63322002    -10.89830986
  H     22.62752837     15.70212762    -12.17709306
  O     15.08886085     12.33350933    -14.69804441
  H     15.88895430     10.59085267    -11.67781619
  H     21.49141699     16.73013864    -12.32427237
  O     18.61627575     10.23908876     -9.79631120
  H     17.15128318      9.99493344    -10.99588406
  H     17.69358503     15.34884045    -13.83418707
  O     19.81161439     17.17357636    -11.47598756
  H     19.64786713     10.91942045    -16.77797373
  H     17.89810351     14.92793265    -12.38126695
  O     21.64336704     12.17919020    -11.27587093
  H     19.24935099     11.21608042    -18.24048610
  H     24.01364511     14.25376654    -10.50986182
  O     17.70921570      9.34687936    -14.02489745
  H     19.75251412     15.18231158    -14.07711931
  H     22.71401423     13.58246178    -11.00524240
  O     19.17938352     14.22893934    -16.97806984
  H     21.25616369     15.51302826    -14.10202664
  H     19.27446332      8.59715195    -13.91373297
  O     22.21556026     16.30894586    -12.80458073
  H     20.36428222     15.96368712    -10.10213030
  H     20.17650761      7.33947840    -13.95117808
  O     18.16552407     15.59668800    -13.02780416
  H     21.60021890     15.08500645     -9.84563779
  H     19.44016397     12.14305026    -13.83724892
  O     23.13478662     14.44090595    -10.83013113
  H     21.10654266     13.35050402    -14.24204324
  H     18.25706571     11.13352366    -13.81825362
  O     20.19464725      8.28691493    -13.84158318
  H     21.45592377     12.36673589    -13.07817355
  H     17.69920085     14.29453564    -15.91807388
  O     18.48378625     12.06549698    -13.72755323
  H     15.45195680     11.63199676    -15.24976764
  H     17.57162027     13.39134169    -14.67944778
  O     17.14550695     14.12940292    -15.14248910
  H     15.62377470     13.11230960    -14.90937102
  H     16.44937987     13.07439850    -11.58959377
  O     17.37115765     13.35637364    -11.59354916
  H     18.58385750      9.87571606     -8.91372840
  H     17.80092719     12.84895055    -12.30188409
          69
 Energy    -248.04339983481032     
  O     15.81417546      9.97423608    -15.18891162
  H     15.75508803     10.91995104    -15.37488329
  H     18.87187318     13.94549801     -9.88793494
  O     17.45348923     14.07804686    -17.19587034
  H     16.63124344      9.67416682    -15.60804270
  H     22.39099475     15.77969771    -14.82166251
  O     19.44145884      8.81678393    -13.78188273
  H     17.97735607     13.25675722    -17.25719555
  H     20.89203099     16.14655339    -14.86424679
  O     20.08806038     14.81159572    -10.94025620
  H     17.25030264     14.34288683    -18.08876256
  H     21.04654960     13.25278648    -11.17644408
  O     16.10503026     14.59310350    -11.14281306
  H     20.03704389      9.57853362    -13.71572396
  H     20.97399684     11.77250687    -10.75834145
  O     19.58301562     10.93052933     -9.98666369
  H     19.02064815      8.73036141    -12.92017458
  H     15.48949212     11.08813782    -12.36093237
  O     18.34971813      9.24213713    -16.22039855
  H     19.46280860     14.88279674    -11.67763336
  H     15.95044996     10.05529077    -13.41631541
  O     21.09269574     13.05373538    -15.71066420
  H     20.78732726     15.45482943    -11.10850168
  H     18.79417326     10.97460358    -16.84943521
  O     22.16953643     16.46354367    -11.80887375
  H     15.53676937     13.94949178    -11.58384434
  H     19.82073744     12.13642469    -16.75492964
  O     20.73172176     11.24217352    -13.65797463
  H     16.66040396     14.09992950    -10.52588126
  H     23.59710268     14.09291612    -14.13710957
  O     14.58777668     12.75341011    -12.74531189
  H     19.06755708     10.21856280    -10.38287209
  H     24.42932890     14.22259370    -15.43589339
  O     18.17102432     13.41702279     -9.47142540
  H     18.96935794     11.65253969     -9.80559537
  H     18.67077394     14.98785600    -16.03559860
  O     21.74158461     16.41160114    -14.48880703
  H     18.74231052      9.04548791    -15.35120256
  H     18.88692346     15.17718833    -14.51096632
  O     21.50063944     12.40404971    -11.27088550
  H     18.52932536      8.48797091    -16.77638109
  H     23.19539621     14.83912155    -12.08299152
  O     16.07968499     10.33838400    -12.49581281
  H     20.49558788     13.80158576    -15.56474972
  H     22.98649397     13.31685037    -11.96852941
  O     18.98971856     11.86419471    -17.16611057
  H     21.99059434     13.39614812    -15.61958793
  H     17.69843944      8.11690284    -10.80725603
  O     23.53897879     14.25060517    -15.09700908
  H     21.97933589     16.51998446    -12.76296206
  H     17.25386655      9.34867076    -11.62911745
  O     19.33041583     15.21979239    -15.37175812
  H     22.52459498     17.30909766    -11.54856790
  H     17.54549533     11.44152412    -13.00411536
  O     23.52963801     13.99053826    -12.39872008
  H     21.08312773     11.62986373    -12.84495932
  H     18.99109060     11.73430619    -13.51410107
  O     18.02785216      8.88788043    -11.26315964
  H     20.94361042     11.83732509    -14.38924515
  H     16.33749628     13.34433148    -15.86503013
  O     18.10460878     12.10511155    -13.42356514
  H     13.64595740     12.83661976    -12.87644731
  H     16.82836116     12.56430668    -14.63091050
  O     16.02883257     12.82158881    -15.11691230
  H     14.99982365     12.86931251    -13.61806470
  H     17.40386940     14.94505621    -12.36662822
  O     18.18424368     14.78665732    -12.91551298
  H     18.17548293     13.65315758     -8.54551143
  H     18.20215443     13.82880230    -13.06976115
          69
 Energy    -248.04317839929661     
  O     13.65921959      8.94946524    -16.08336874
  H     14.27790823      8.53920659    -15.45726947
  H     14.95352991      4.65791702    -14.09350172
  O     15.97235758      6.80140476    -12.00087600
  H     14.15086938      9.67699025    -16.48096624
  H     19.55152843      7.77947864    -14.44262228
  O     17.64945312     11.26358316    -12.22450419
  H     15.19061264      7.14651184    -11.54921572
  H     20.77560719      7.52164373    -13.53563059
  O     18.13816663     10.40652483    -16.74692776
  H     16.72250216      7.36399008    -11.76353352
  H     15.37201893     11.84980452    -17.33737646
  O     13.14002995      4.89112603    -14.66385540
  H     17.36164934     11.68230847    -11.40459155
  H     16.38604255     10.81634057    -16.80085344
  O     14.08414865     11.42610290     -9.78795071
  H     16.87623120     11.18636391    -12.80327413
  H     15.70792923      7.61178554    -13.58539126
  O     13.68472171      7.98687475    -10.96037450
  H     18.79049514     10.61596463    -17.41195515
  H     16.09473993      7.45608554    -15.06952553
  O     15.57601898     10.74356036    -13.94718405
  H     18.56287622     10.56979572    -15.88492843
  H     12.27643462      9.24126148    -15.00554489
  O     16.63894090      6.04494062    -16.14312835
  H     12.78116020      5.56992490    -14.06630718
  H     10.79414828      9.59422013    -14.73271116
  O     14.45303823      8.91199672     -8.44272574
  H     12.53995589      4.15040873    -14.62573587
  H     17.50509617      8.98714533     -9.78335954
  O     18.85406156      7.64237974    -16.03047022
  H     13.71522086     11.18787625    -10.64856891
  H     17.07671210     10.34443163     -9.18954879
  O     15.89503882      4.67460705    -13.87771454
  H     14.06266678     10.62249279     -9.25324209
  H     12.62926167      7.10298074    -12.23182065
  O     19.94630841      7.99056751    -13.57740713
  H     13.59486809      8.83441926    -11.41887921
  H     11.86951763      7.65791938    -13.45181743
  O     15.45562667     11.09481266    -16.75999761
  H     13.85678455      8.19390707    -10.03357245
  H     18.87321291     11.03995005    -13.59610636
  O     15.68979504      8.06404688    -14.43856762
  H     15.47082379     11.09550040    -14.83725334
  H     19.70762818      9.83750082    -14.07019913
  O     11.61509800      9.36692849    -14.30366253
  H     15.72262052      9.79029479    -14.06429798
  H     17.91967094      9.49908029    -11.77255858
  O     17.05774277      9.39256852     -9.02988174
  H     16.51155974      5.45123162    -15.38666502
  H     18.75941573      8.26748824    -12.16282374
  O     12.17292154      6.84029552    -13.04158233
  H     15.80449645      6.05646118    -16.63208913
  H     16.81846642     12.94550221     -9.23013307
  O     19.36810200     10.69601047    -14.35164022
  H     15.40885289      9.01039534     -8.60524803
  H     15.73696161     11.97946149     -9.77230120
  O     18.08094921      8.57202498    -11.54685285
  H     14.35428348      8.62069664     -7.54065184
  H     12.63539172     10.16715934    -12.93194498
  O     16.69419704     12.15869920     -9.75377967
  H     18.52330909      8.48073193    -16.36713128
  H     14.11465208     10.61198902    -12.86865927
  O     13.33981847     10.41874285    -12.32243583
  H     18.14873401      6.99306522    -16.17053454
  H     13.65645480      5.74894959    -16.27483520
  O     14.01731235      6.23728580    -17.02795101
  H     15.98007239      5.26866396    -13.12033714
  H     13.74387807      7.15281541    -16.90303684
          69
 Energy    -248.04308866164718     
  O     -2.95069481      0.47306379      2.98617159
  H     -2.77731393      1.41192037      3.13989584
  H     -4.02093463      2.02056718     -1.81040081
  O     -0.74555486     -0.45809263      1.58231543
  H     -2.16141373      0.10624645      2.56853034
  H     -6.33782177      1.16946795      1.15709115
  O     -4.92268828     -0.96641059     -2.33944797
  H      0.01575104      0.03459080      1.90782557
  H     -7.28174903      1.55830970      2.30896196
  O     -2.29732703     -2.03711858     -1.83997134
  H     -0.89329719     -0.14878972      0.67567105
  H     -0.67292678      3.27644079      0.26225762
  O     -4.69683259      0.52783313      0.81840340
  H     -5.36579621     -1.37532449     -1.58268072
  H     -0.23240503      1.96089743     -0.42343851
  O     -6.81062177      1.69390081      4.09870301
  H     -4.01311667     -1.28259080     -2.29572687
  H     -5.21913057      4.16564591      2.55676930
  O     -8.46866627     -0.89272380      0.48660588
  H     -2.40183426     -2.30379106     -0.90867457
  H     -4.17872268      3.53948730      3.49613486
  O     -2.40164670      3.16215729      3.23458508
  H     -1.96393475     -2.80021244     -2.30490883
  H     -3.25213044      4.52034581      0.67610585
  O     -5.58222690      1.63906658     -2.78087776
  H     -5.00219865     -0.35055740      0.55669210
  H     -2.75193412      3.28448669     -0.06442427
  O     -5.93730281     -1.88543336      0.07817212
  H     -4.13875186      0.44774956      1.60273229
  H     -5.61440068      4.43760043      0.27073210
  O     -4.81296624     -2.90411484      2.43531967
  H     -7.31057190      1.96844398      4.86258072
  H     -5.44654552      5.90544161      0.71791756
  O     -3.40303262      1.97110620     -1.07358109
  H     -6.19646866      2.42264591      3.89149389
  H     -5.82958705      0.00336249      4.07367286
  O     -7.25022132      1.43638681      1.35233736
  H     -9.27629414     -0.72091157      0.00911634
  H     -4.34738086     -0.31653168      3.81862275
  O      0.07935323      2.68594329      0.13473512
  H     -8.15416832     -0.03021622      0.80285887
  H      0.62713607      2.39864385      3.58917508
  O     -5.12866848      3.68230692      3.38598150
  H     -2.32439201      3.45560751      2.31604826
  H      0.56317111      2.75427862      5.08378682
  O     -2.46586290      3.97370560      0.55463716
  H     -1.52245523      3.18806701      3.63504060
  H      0.92399066      1.94523147      1.44948475
  O     -5.09028001      5.02892366      0.83913542
  H     -5.80528435      1.74339671     -3.70192032
  H      2.24204307      1.31597665      1.95883806
  O     -5.20509204     -0.72678295      4.00754480
  H     -5.39405426      0.69218216     -2.64750868
  H     -3.18190141     -2.71876784      1.41761274
  O      0.15623380      2.93932232      4.24069389
  H     -6.86687146     -1.64924980      0.21590719
  H     -1.81190222     -2.00950092      1.23930048
  O      1.32167942      1.43396919      2.17910172
  H     -5.63990239     -2.37609933      0.85371787
  H     -1.40250961     -0.42971273     -1.44830391
  O     -2.43706679     -2.61140731      0.81565321
  H     -4.97797630     -3.69641748      2.93976053
  H     -1.94598141      0.97362665     -1.12711124
  O     -1.15621073      0.41565719     -1.05391810
  H     -5.00857142     -2.15430920      3.02492269
  H     -6.99531903      2.71327169      0.02471968
  O     -6.61707224      3.31118726     -0.63468188
  H     -3.86639010      1.47093009     -0.38112777
  H     -6.33902212      2.75817626     -1.37352555
          69
 Energy    -248.04301866732322     
  O     -8.32077506     -2.04540107      5.82020465
  H     -8.89071944     -1.32672520      6.12138298
  H     -4.63248187      0.68982456      1.55635417
  O     -9.31661828     -2.43817120      3.28259540
  H     -7.41674602     -1.79067865      6.03496317
  H     -7.10250800     -0.31956926      3.11241376
  O     -5.76775699      0.77716929      0.08608879
  H     -8.96619856     -2.53227844      4.18291317
  H     -7.07566853      0.81342646      4.19589155
  O     -6.26240604      1.37524157      5.74002998
  H     -9.78868043     -1.59531210      3.31656846
  H     -5.06847530     -1.40411222      5.49630456
  O     -4.80751999      5.15606139      0.77030214
  H     -6.07127310     -0.09741810     -0.18476251
  H     -5.04441662     -1.68900654      7.01714302
  O    -10.62711534      0.86528233      1.00710583
  H     -6.56078165      1.26555223      0.34989163
  H     -1.08896407      1.56061100      1.10183525
  O    -10.19348027      0.10993072      6.40449897
  H     -5.88867007      0.53476361      6.03316248
  H     -2.55669479      1.50461778      1.58476637
  O     -4.39646754     -1.54578274      3.91130363
  H     -5.59092748      1.88683963      5.26758836
  H     -8.78183193      5.45891424      4.68294186
  O     -4.03219357      2.91746161     -0.55226879
  H     -4.56398430      4.37967274      0.23462240
  H     -8.04745936      4.46156864      3.78118812
  O    -10.22030460      0.21789460      3.61901250
  H     -4.75246693      5.91447539      0.19492718
  H     -6.66487859     -2.01193747      1.49374303
  O     -6.90551354     -1.76271485     -0.36039889
  H    -11.48969018      1.21376519      0.79686513
  H     -7.57234153     -2.30395001      2.72324970
  O     -4.01320875      0.74420563      2.29684097
  H    -10.61800305      0.69697312      1.96607802
  H     -9.53610994     -2.13570911      1.34986876
  O     -7.47595547      0.53451208      3.36345770
  H    -10.78749066      0.11414356      7.14954514
  H     -9.92593429     -0.86401731      0.56059746
  O     -5.54440318     -1.25215272      6.33287105
  H     -9.71464457      0.96013482      6.42084178
  H     -8.84607136      3.13215970      5.69957147
  O     -1.89523200      2.06762520      1.14701808
  H     -4.10297323     -0.77933367      3.40317001
  H     -7.85561272      2.08207998      6.23824862
  O     -8.70165973      4.52667835      4.49244503
  H     -5.14407551     -1.90173753      3.40895149
  H     -3.41253369      4.74271525      2.07701527
  O     -6.68361563     -2.03004511      2.45758777
  H     -3.20829175      2.64396028     -0.12955111
  H     -2.33944397      3.64711133      2.18712675
  O     -9.48020149     -1.71634076      0.48233230
  H     -4.62929075      2.16078390     -0.48380437
  H     -5.56334234      3.28350835      3.50303540
  O     -8.77554494      2.37641734      6.29678003
  H    -10.43547718      0.20077090      4.55929017
  H     -4.03295813      3.39606393      3.69063517
  O     -2.81358870      4.31310832      2.70065806
  H     -9.26310158      0.37239839      3.57816686
  H     -8.91979167      1.75392149      0.93540739
  O     -4.80492269      2.86493863      3.93273608
  H     -6.78382600     -2.43782744     -1.02285469
  H     -7.78872154      1.50686092      1.95924291
  O     -8.01425290      1.99996783      1.15125922
  H     -7.85811901     -1.73563316     -0.15764029
  H     -7.29320366      3.49077260      1.90108164
  O     -6.82668974      4.14522946      2.44025531
  H     -4.33093771      1.44485597      2.88453776
  H     -6.19127397      4.58879582      1.86359840
          69
 Energy    -248.04296398641372     
  O     19.69239306     10.93323348     -9.05522310
  H     19.52204936     10.10614428     -8.57182155
  H     18.07242298     10.19451193    -11.77276897
  O     18.16634153      6.38199559     -9.49976861
  H     19.46835270     11.64549225     -8.46194149
  H     22.31047080      9.24609502     -9.46701785
  O     19.07756331      3.76623607    -12.52591102
  H     18.71439039      6.94380470    -10.07250884
  H     21.53744887     10.55956498     -9.63257277
  O     20.57840598      6.01011938    -13.26608297
  H     18.68795812      5.57535900     -9.37820325
  H     19.52215610      7.81289046    -16.12178750
  O     21.70458676      7.56646240     -9.01747836
  H     18.82397544      2.92063487    -12.88651314
  H     19.89780467      8.44475999    -14.75611247
  O     16.98248879      5.36617376    -11.89036722
  H     18.25447456      4.25450230    -12.34688744
  H     19.72409440      3.96812706    -10.66778405
  O     23.06528075      6.45537309    -12.12629941
  H     20.09462194      5.18872907    -13.11221086
  H     20.85027105      4.48759443     -9.75445661
  O     19.40114101      8.51280222     -7.79954850
  H     20.19869985      6.45481845    -14.03406212
  H     15.21152443      7.45653805    -14.18352678
  O     13.35879798      7.59245195    -10.14399301
  H     21.11607437      7.63328641     -9.78735116
  H     13.94942544      8.15375064    -13.65134235
  O     22.68419629      5.06509167     -9.82586269
  H     22.13393512      6.70801012     -9.09371668
  H     15.45543533      9.68569100    -12.05832107
  O     19.88776138      7.71882047    -11.13336437
  H     16.01285967      5.34545717    -11.89879804
  H     16.64148484      8.83655198    -12.57485070
  O     19.02733484     10.33634478    -11.70840638
  H     17.26862014      5.69576810    -11.03045859
  H     17.11965891      6.73579061    -13.12706952
  O     22.35137785     10.11517304     -9.89258239
  H     22.27499385      6.23209656    -12.63858889
  H     17.83819598      7.55370614    -14.25285259
  O     19.44145587      7.69337328    -15.17973345
  H     23.15546000      7.41306600    -12.19237277
  H     23.90497122      9.78382916    -12.62505909
  O     19.91010225      4.26938193     -9.77110884
  H     20.27791348      8.15375409     -8.00393412
  H     22.84470629      9.66236151    -11.50980711
  O     14.24719253      7.39006056    -14.15938248
  H     18.78820669      7.82810571     -8.08050386
  H     16.64582172      7.43056078     -9.40878149
  O     16.39693336      9.52097121    -11.93220584
  H     14.27301609      7.73182164     -9.83312930
  H     16.19684662      8.61163955    -10.29957218
  O     17.05019011      7.51234818    -13.69950195
  H     12.82677835      7.41904370     -9.37245715
  H     13.39552339      8.82280943    -11.49440558
  O     23.10221535      9.32641847    -12.38621248
  H     23.44676672      4.53152263     -9.61946751
  H     12.84025367     10.06277909    -12.22980192
  O     15.93356786      8.06641357     -9.54571547
  H     22.88466734      5.53157101    -10.65773084
  H     20.10010229     10.07262409    -13.17965604
  O     13.57218382      9.45097238    -12.21350366
  H     19.64754472      8.60401453    -11.43162365
  H     21.53310932      9.54663490    -13.41577345
  O     20.67634382      9.66799869    -13.84301790
  H     20.14239991      7.18871098    -11.89833012
  H     13.88246857      6.12872896    -11.33809826
  O     14.27711953      5.58134621    -12.02513582
  H     19.21624221     10.65187079    -10.81522343
  H     14.16601898      6.08218105    -12.84695735
          69
 Energy    -248.04294216766507     
  O     12.56157274      2.52766689    -17.67669073
  H     12.37148860      3.31975204    -18.19501085
  H     11.72441080      0.34334973    -19.75088362
  O     16.10289318      4.50229399    -18.42328078
  H     11.75990430      2.28297221    -17.19608690
  H     16.54183742      1.95827886    -20.04785738
  O     12.01055838      4.79322489    -19.18068268
  H     15.52770465      4.70861660    -19.17111304
  H     18.08112760      2.07305875    -20.15381141
  O     14.93995692      1.67465859    -20.76564223
  H     16.69785181      3.81833862    -18.75317572
  H     15.40513882     -0.12337353    -16.77828572
  O     13.81386333      1.24363091    -14.67821976
  H     11.25807057      4.32282248    -19.57002113
  H     15.03982942     -1.57016794    -16.36530349
  O     10.26452476      3.56376597    -22.89436908
  H     11.67380424      5.36551710    -18.47987128
  H      9.57765144      4.77378705    -17.32881688
  O     14.30733374      4.46257107    -20.64141143
  H     14.42536467      1.12187923    -20.16037611
  H      9.19526926      3.77905989    -18.45412643
  O     10.21762017      1.85883422    -16.30734930
  H     14.63144114      1.49374763    -21.66231807
  H     16.06096053      1.98001247    -16.71750574
  O     11.07939017      0.98394065    -22.81692901
  H     14.30305619      1.98767467    -15.05228882
  H     16.91478752      1.43158649    -17.87232569
  O      9.96384817      3.23191626    -20.12868526
  H     13.98479671      0.49639299    -15.26285589
  H     15.27111868      3.91233921    -16.94663646
  O     13.39464446      0.29449220    -18.94469284
  H      9.64797355      3.73472988    -23.60140519
  H     14.00131543      3.03800732    -16.76531759
  O     10.83224388      0.53643177    -20.06635065
  H     10.49902283      2.61822578    -22.94606351
  H     11.34733860      2.29944827    -12.96231957
  O     17.35118018      2.15530538    -19.54593584
  H     13.49966757      4.63094922    -20.13204509
  H     12.32290877      1.93273045    -14.10754044
  O     14.66096584     -0.73598224    -16.63002294
  H     14.47213832      3.50951601    -20.62239531
  H     12.14809829      4.09401638    -14.62795327
  O      9.04604484      3.99200156    -17.52310848
  H      9.71505963      2.62276387    -16.63418443
  H     13.39882442      4.50892533    -15.42567314
  O     16.51732561      1.18863534    -17.02701161
  H     10.52006589      2.04542427    -15.41106955
  H     14.26378439      1.21492171    -24.18771635
  O     14.77419088      3.39316990    -16.29596997
  H     10.95780546      0.69846885    -21.90011040
  H     13.63400844      2.37033647    -23.37027565
  O     11.51816036      2.43774741    -13.89002657
  H     12.02793715      0.96443183    -22.98962575
  H      9.60879611      0.46107148    -17.27167565
  O     12.53988873      4.82483977    -15.12181351
  H     10.25171655      2.31082835    -20.05790939
  H      8.40261417     -0.40601708    -17.66731795
  O     13.87761343      1.42630007    -23.34192388
  H      9.93655691      3.43885369    -21.07171101
  H     12.15270303      4.04289431    -23.04623748
  O      9.30140938     -0.20061112    -17.91220882
  H     13.77741948     -0.24614782    -18.24495120
  H     13.51429870      4.35250669    -22.36288231
  O     13.10850401      4.01475676    -23.17255095
  H     13.10402329      1.11186977    -18.50596905
  H     11.51366932      5.66271776    -16.26058251
  O     10.95152179      6.07150773    -16.94249876
  H     10.22726644      0.18272575    -19.39823971
  H     10.82337102      6.98040607    -16.68474659
          69
 Ord_Energy   -248.042862    
 O   -3.88690090       1.65084791      0.154451504    
 H   -4.44837570       2.13116598      0.773759246    
 H   -3.28730607       2.31880951     -0.210982174    
 O  -0.623409748       6.86606789      -1.01179695    
 H  -0.118322499       7.30783653     -0.320906162    
 H  -0.153411299       6.04328251      -1.21398616    
 O   -2.17786288      -3.53492983E-02   1.39649439    
 H   -2.78940868      0.508748949      0.867643535    
 H   -2.22962093     -0.922851264       1.05173540    
 O   0.721416175       7.96345758       1.24545193    
 H    1.15370798       8.81226826       1.27992475    
 H  -0.122144051       8.05469227       1.72746742    
 O   -4.55559921       2.36151981       5.93824959    
 H   -4.18401337       1.78670061       5.25659323    
 H   -3.84418392       2.96502733       6.19175148    
 O   -3.63104177       5.90878057       1.87319779    
 H   -3.66016126       6.11956310      0.930669188    
 H   -2.79268074       5.43890333       2.02617311    
 O   0.172361597       1.47530770       2.07675910    
 H  -0.104644798       1.80195272       2.93977046    
 H  -0.555563986      0.925591290       1.76109087    
 O   -4.89903975       3.30886936       2.28260112    
 H   -4.50885820       4.15813875       2.04600096    
 H   -5.52136326       3.49520254       2.99761248    
 O   -4.30318928       5.97370481       4.59668970    
 H   -4.12692547       6.05235720       3.64884520    
 H   -5.09934139       5.43453026       4.67756319    
 O   -1.64757538       8.04789352       2.51699448    
 H   -1.75880706       8.07783318       3.47930121    
 H   -2.38564324       7.52852678       2.19005728    
 O   -2.16221976       3.71283770     -0.455263495    
 H   -2.60318017       4.53015804     -0.719643831    
 H   -1.81395435       3.87265849      0.434360325    
 O   -3.24172378       6.31919575     -0.850653887    
 H   -3.70422316       6.69506693      -1.59422719    
 H   -2.30919242       6.59804726     -0.926298082    
 O   -1.17871559       2.70049477       4.33964205    
 H   -1.57531750       3.29950881       4.99035120    
 H   -1.89057684       2.08869886       4.10114622    
 O   0.441484481       4.32876444      -1.38439989    
 H  -0.434840381       3.95313072      -1.22586262    
 H    1.01658869       3.91681600     -0.729434788    
 O   -3.39467192       1.27970791       3.57213259    
 H   -3.88809776       1.96253765       3.09445143    
 H   -3.04281569      0.674607515       2.90783978    
 O   -2.19712687       7.84862232       5.20605659    
 H   -1.59215236       7.34427023       5.76338673    
 H   -3.01453686       7.33758640       5.16178465    
 O   -6.31961393       3.96566105       4.64443016    
 H   -5.77870464       3.35816431       5.18095160    
 H   -7.21463060       3.89874077       4.96529961    
 O  -0.490115166       6.13108683       6.75097752    
 H    9.21244696E-02   5.65872908       6.12945175    
 H    3.46357487E-02   6.33736897       7.51962852    
 O   -1.37445056       4.45820141       2.14493728    
 H  -0.518235862       4.90476084       2.16774225    
 H   -1.36669266       3.81890488       2.86610436    
 O   0.917420328       4.63885546       4.97133255    
 H    1.12510800       4.99493074       4.09564400    
 H   0.425565422       3.82729340       4.80996752    
 O    1.89953339       3.17661548      0.794050455    
 H    2.73638892       2.72714019      0.705346048    
 H    1.28943241       2.54522347       1.21338248    
 O    1.22022140       5.43885851       2.32283807    
 H    1.58107424       4.77600002       1.71965659    
 H    1.20076883       6.29967737       1.88556540    
 O   -2.54587126       4.36049366       6.06376934    
 H   -1.89264929       4.94074583       6.47359324    
 H   -3.12936687       4.92821407       5.53978205    
          69
 Energy    -248.04257622953662     
  O     13.36950229     11.59026085    -15.33889122
  H     14.10269329     12.18937122    -15.15552155
  H     14.91281851      5.68050348    -14.71490565
  O     15.49141954      6.50237570    -13.25648510
  H     13.73004505     10.89658654    -15.90288114
  H     18.45106672      6.65106076    -13.62546336
  O     17.59049672     10.38121158    -10.72770296
  H     14.88698113      6.85343354    -12.58478299
  H     18.71648159      7.68532393    -12.52741363
  O     18.60457798      9.50051725    -14.95294216
  H     16.39553134      6.53854485    -12.92033079
  H     16.28102998     10.68968581    -16.76729311
  O     12.91292123      7.50897028    -16.26015076
  H     16.96588849     10.79786993    -11.33745687
  H     17.65114065     10.73938559    -16.05182338
  O     14.27519768      9.97768345     -8.64632942
  H     17.39052624     10.71570219     -9.84105662
  H     16.88071518      9.19755644    -14.37017033
  O     13.68639941      7.65625789    -11.52911886
  H     18.79836617      8.59908177    -15.24278068
  H     15.76895503      8.22386098    -13.85647418
  O     15.77408951     11.36800787    -12.56588590
  H     19.02247647      9.60638371    -14.08818152
  H     10.81173966     11.33842478    -13.50608388
  O     16.48392510      7.00385780    -16.86623222
  H     12.47613042      7.68845199    -15.41319093
  H     12.22891521     11.14819540    -14.09656480
  O     14.69726395      7.15015147     -8.97090377
  H     13.37130269      6.67092658    -16.13709452
  H     17.51224392      7.18696350    -10.91085073
  O     18.79003016      6.74714153    -15.50218224
  H     13.88968872     10.21213108     -9.50117059
  H     17.20559054      8.57546479    -10.31835823
  O     14.65366855      5.31367090    -15.57804576
  H     14.34001826      9.01546295     -8.63872386
  H     11.70735394      8.97485588    -13.61907078
  O     18.24532155      6.86001181    -12.70469346
  H     13.64609473      8.62254525    -11.48723034
  H     12.39881991      7.76249394    -12.97076000
  O     16.97954110     11.28950258    -16.47577112
  H     13.88473992      7.36065116    -10.63206339
  H     20.40122583      9.49978707    -11.91062716
  O     15.95401472      9.13783639    -14.10047162
  H     15.76552459     10.55556416    -13.09850993
  H     18.89832015      9.80145293    -11.70681872
  O     11.63206719     10.86925813    -13.37949033
  H     15.80004665     12.09549986    -13.19730275
  H     15.81391493     10.78685856     -8.34776321
  O     17.07543606      7.62832370    -10.17586232
  H     15.98386692      7.82068262    -16.96334547
  H     16.67960012     11.77303399     -7.54294447
  O     11.89190376      8.03599297    -13.74391017
  H     15.85195813      6.34324646    -16.55044328
  H     14.26564705     10.86373771    -11.68627000
  O     19.54109869      9.38177965    -12.30536885
  H     14.77226784      6.47172185     -8.30589768
  H     12.75308795     10.64307578    -11.92277178
  O     16.70058817     11.18385842     -8.29132991
  H     15.58658788      7.27566746     -9.35018089
  H     16.26168832     12.49968649    -15.42515584
  O     13.47767826     10.44090986    -11.31749443
  H     17.97060060      6.80462871    -16.02717733
  H     15.96287935     13.97198835    -15.05609730
  O     15.77203736     13.07171641    -14.80733884
  H     19.41057369      6.23930023    -16.01798850
  H     15.15610242      9.36373980    -15.68551923
  O     14.80981867      9.41291632    -16.59124691
  H     14.40983031      4.40400859    -15.42980616
  H     14.06642243      8.78850573    -16.62091799
          69
 Energy    -248.04250676902066     
  O     13.80267861      9.43192065    -10.97906819
  H     13.56180000      9.96821011    -11.74429990
  H     12.64767678      6.63614077    -10.15525905
  O     16.32254251     11.12923866    -13.18033970
  H     13.14824860      8.72146846    -10.87867022
  H     18.85706718      8.55017668    -14.43209088
  O     14.03780726      4.49041051    -13.68392958
  H     16.71327941     11.11933041    -12.29496202
  H     20.35736840      8.20732904    -14.29117267
  O     15.80528170      7.25142050     -8.33512703
  H     15.40805785     10.82626297    -13.10212194
  H     15.63777946     12.25936779    -14.41790119
  O     15.68922874      7.63472215    -12.09414828
  H     14.46181158      4.52436961    -12.81398150
  H     15.11896354     13.57551584    -15.03586755
  O     13.53650584     10.73994851    -13.39880104
  H     14.75186470      4.55823392    -14.32687977
  H     12.46245008      7.69307021    -14.22166556
  O     18.28663808      8.25300529    -11.41928130
  H     15.72386871      8.20590818     -8.44868248
  H     13.80385420      8.11230241    -14.84998977
  O     17.40518696     10.81313002    -10.69931377
  H     16.71349255      7.02042436     -8.56487295
  H     15.29414082     10.37155782    -17.49528373
  O     18.40278794      5.32126633    -13.83184557
  H     15.56459107      7.59959243    -13.05196503
  H     15.62991332     11.47494811    -16.48384869
  O     16.27691127      4.96245688    -15.41462105
  H     15.03323664      8.23846687    -11.72479539
  H     11.10969699      5.63506423    -13.59729646
  O     18.02660830      4.63242023    -11.17618051
  H     13.24348630      9.94868162    -13.88287633
  H     12.64646217      5.50912204    -13.49945660
  O     12.22288494      7.26318157    -10.75354169
  H     13.65896934     11.43959474    -14.04448767
  H     13.47589091      5.13304064     -8.20110838
  O     19.49259586      7.99637423    -13.94792761
  H     17.37612878      8.01016107    -11.65300708
  H     14.46960765      6.21274341     -8.69329880
  O     15.06310847     12.62591728    -15.11184235
  H     18.81335917      8.17032201    -12.22213827
  H     15.42331442      5.92759780    -11.52017328
  O     12.91166665      8.43115584    -14.65017526
  H     16.78047285     10.63059552     -9.98702245
  H     14.71730343      5.05949064    -10.45293802
  O     16.02472524     10.78882315    -17.04222093
  H     17.84303660      9.97060508    -10.88422975
  H     18.49431600      7.28432117     -9.95901943
  O     11.89600379      6.10803607    -13.33694374
  H     18.83968886      6.17811726    -13.86151060
  H     19.27623471      6.85288011     -8.69655392
  O     13.74530900      5.62292351     -8.97305624
  H     18.35276789      5.05622129    -12.90124187
  H     15.79746851      6.70225669    -15.16322323
  O     15.25694038      5.01124805    -11.25056267
  H     17.06384494      5.02460309    -14.84111966
  H     16.26139966      8.19634328    -15.05027022
  O     18.47161142      6.69599773     -9.18457812
  H     16.52038976      4.41841434    -16.15798471
  H     14.91253024     10.58330434     -8.23968756
  O     15.53146925      7.58801447    -14.88360532
  H     17.05945019      4.59852018    -11.16925223
  H     14.76458106      9.85504169     -9.59651382
  O     15.37651911     10.02346749     -8.85734808
  H     18.26287060      5.19968014    -10.43496195
  H     17.17183710      9.93665982    -15.89532705
  O     17.54087470      9.54219675    -15.09313183
  H     12.08644364      6.81163842    -11.59602342
  H     17.20772728     10.07765397    -14.35695220
          69
 Ord_Energy   -248.042313    
 O   -6.85220814       1.90080965       5.82419729    
 H   -6.01658535       1.98446727       6.29724121    
 H   -6.69604254       2.26905203       4.94085836    
 O   -8.59863758       1.03795457      -1.19009507    
 H   -8.29837608      0.129112810      -1.27575195    
 H   -9.13370419       1.05080426     -0.380435675    
 O   -10.1930151      -1.30011439       2.61434913    
 H   -10.1093111      -1.26510131       3.57527852    
 H   -9.54832172      -1.94100332       2.29353237    
 O   -10.2510309       3.24479795       2.92846751    
 H   -11.0732632       3.70682621       3.06965828    
 H   -10.0314989       2.80321598       3.76832485    
 O   -6.22937632       2.79574800       3.29635811    
 H   -6.70762348       3.53323698       2.89509177    
 H   -6.44099188       2.01923966       2.75601435    
 O   -6.91286325      0.649057508       1.78664005    
 H   -6.41980124      0.408670843      0.992375493    
 H   -7.84229708      0.786733627       1.55823004    
 O   -4.16422462       1.78546214       6.79598570    
 H   -3.70936227       2.06785440       7.58459902    
 H   -4.20183039      0.812349856       6.82448578    
 O   -4.43580961     -0.909671128       6.60094833    
 H   -5.38337612      -1.07531202       6.52351093    
 H   -4.07268000      -1.08377302       5.72161007    
 O   -7.37141085       3.45247173     -0.741885483    
 H   -7.78864098       2.59903884     -0.950260818    
 H   -7.53949594       4.02138472      -1.49016607    
 O   -7.20069885     -0.880190253       5.80393887    
 H   -7.07972050       8.11803788E-02   5.80910254    
 H   -6.95189524      -1.19494307       4.92149448    
 O   -2.79680753       2.18907642       1.40042448    
 H   -3.04840541       2.14864779       2.33683753    
 H   -1.97503901       2.67379546       1.36266744    
 O   -8.15713024      -2.98497200       1.41107571    
 H   -7.98180819      -2.55419850      0.559322357    
 H   -8.30580807      -3.90876341       1.22176635    
 O   -3.75310135       1.92059290       3.98192191    
 H   -4.59962893       2.31670403       3.71845961    
 H   -3.72421479       1.96846104       4.94427347    
 O   -9.64003754       1.03062475       1.32671416    
 H   -9.94640827      0.227915257       1.77517688    
 H   -9.92771721       1.79490483       1.83910215    
 O   -6.48500919      -1.60131836       3.23626351    
 H   -6.95349550      -2.25683260       2.70932388    
 H   -6.64574766     -0.755991280       2.78696370    
 O   -9.91207600     -0.962506831       5.43707418    
 H   -10.3838844      -1.38725328       6.14933777    
 H   -8.96641541      -1.01962447       5.65410471    
 O   -3.08517909     -0.680324435       1.09838879    
 H   -2.85608411      0.257482618       1.11064374    
 H   -3.19411063     -0.932911575       2.02352667    
 O   -4.75006008       2.29527903     -0.758562922    
 H   -5.54665804       2.82516003     -0.634180784    
 H   -4.17174196       2.43888211      -9.47500012E-05
 O   -7.53398085      -1.73960161      -1.02576661    
 H   -6.69612789      -1.27765763     -0.836966395    
 H   -7.43464756      -2.14272022      -1.88505924    
 O   -7.85973549       4.46003151       1.89585066    
 H   -7.74325037       4.14513683      0.989908040    
 H   -8.71540546       4.12992716       2.19757342    
 O   -5.36290646     -0.312159508     -0.366914898    
 H   -4.57701015     -0.608258963      0.114275828    
 H   -5.16748285      0.582134783     -0.685506225    
 O   -3.82422376     -0.942223072       3.83367968    
 H   -3.83883786       2.52757408E-02   3.84596801    
 H   -4.71435547      -1.24133444       3.59728336    
 O   -9.61446953       1.90022111       5.19445086    
 H   -8.72118473       1.99378729       5.54920912    
 H   -9.83616543      0.965306103       5.27258396    
          69
 Energy    -248.04196776772062     
  O     18.46467603      5.43245383    -10.02663631
  H     17.56931186      5.12517975     -9.82728780
  H     12.91203709      5.09473835    -11.59778024
  O     17.29586940      7.83373941    -16.06672961
  H     18.51123527      6.31810968     -9.64842026
  H     15.05563561      7.29176316    -11.91864749
  O     13.42546872      8.07596168    -12.09305453
  H     17.88900065      7.61945029    -15.32441530
  H     15.82745916      6.24137604    -11.04348660
  O     10.09838138      5.90133006    -12.58353939
  H     17.85553549      8.05151845    -16.80745157
  H     19.82595553      4.15056584    -12.57447768
  O     15.49747335      9.79001347    -14.95407336
  H     13.53693093      8.81728294    -11.48448778
  H     18.89310115      4.98634609    -11.67157224
  O     17.98239931      8.62639918    -11.70178939
  H     12.96441293      7.35282604    -11.64825394
  H     14.87939643     10.41324045    -11.16186729
  O     18.89699881      7.26132070    -13.95386352
  H      9.28066390      5.41692487    -12.67123109
  H     13.78896363     11.05214910    -10.26510520
  O     12.81735069      4.44310167    -15.25094525
  H     10.33967535      6.18095009    -13.47954162
  H     14.77350074      7.71008709     -8.60549586
  O     18.16299909      8.08143753     -8.94158362
  H     16.15722611      9.20903623    -15.35161597
  H     15.04693232      9.06673050     -9.27884903
  O     10.93552283      6.65523606    -15.15763493
  H     14.66449155      9.30804066    -15.01166904
  H     13.36031688      8.01751163    -13.85604296
  O     15.20992535      6.00116720    -15.62415140
  H     18.23528134      8.58614651    -10.77291104
  H     13.97714466      7.24530751    -15.06818043
  O     12.38216422      5.71139200    -11.07305623
  H     17.25345618      7.99041059    -11.79018557
  H     16.84440520     10.03584361    -12.13927583
  O     15.89244388      6.82315302    -11.81303582
  H     18.72254936      7.84753511    -13.20441723
  H     15.86422303     10.39561204    -13.27907103
  O     19.06430286      4.72360055    -12.59365979
  H     19.02776423      6.38638660    -13.57145779
  H     13.04256986      6.03841917     -9.44481664
  O     14.19389151     10.22035772    -10.49307586
  H     13.60248502      4.90099288    -15.57986508
  H     12.93906286      5.98807299     -7.90445799
  O     15.44755807      8.38918210     -8.71906222
  H     12.10041478      5.08549493    -15.29386579
  H     17.30053296      4.50958398    -13.27943262
  O     13.32022308      7.91168996    -14.81939798
  H     17.20035299      8.17626926     -8.83085239
  H     16.22149270      5.54680750    -12.94643167
  O     16.07435756     10.57835821    -12.35200004
  H     18.56451574      8.47926278     -8.17377294
  H     15.42673714      4.03331942     -9.95746529
  O     13.51399977      6.24700007     -8.62052189
  H     10.47607915      6.98625202    -15.92510803
  H     15.05102477      5.31520014     -9.17411359
  O     16.37883695      4.73005194    -13.44973799
  H     11.74816243      7.18444565    -15.07159288
  H     14.83687530      1.60087216    -10.70885518
  O     15.74055647      4.91709873     -9.71737969
  H     15.64017993      5.47147735    -14.93768582
  H     14.24467404      2.87253017    -11.33904472
  O     14.64313725      2.51718597    -10.52797623
  H     15.89184123      6.61015668    -15.93616261
  H     13.34318810      3.99561254    -13.57502841
  O     13.81106268      3.93740700    -12.73049769
  H     11.51315495      5.75909377    -11.49724478
  H     14.73967722      4.12504688    -12.92994767
          69
 Energy    -248.04183150975729     
  O     -6.65265117      2.27115937      0.28401377
  H     -5.74679027      2.59701245      0.16312242
  H      0.53585235      0.90822503      3.47531399
  O     -6.64393814      2.67575384      3.07862206
  H     -6.86516113      2.46003985      1.20550925
  H     -1.00634499      3.93983585     -0.96653387
  O     -1.77904378     -1.82729433      2.97041552
  H     -7.24903339      3.06313590      3.70516171
  H     -0.12767328      4.03144557      0.31154330
  O     -3.22297254     -1.42318102      0.61471849
  H     -5.79839443      3.15052181      3.17570248
  H     -3.45114265      2.41176748      0.36282155
  O     -4.78021243     -0.20850915     -2.38679656
  H     -2.37790242     -1.47332471      3.63907862
  H     -3.79180399      3.92886353      0.36202574
  O     -5.76189143     -0.37512541      0.20492567
  H     -2.28107400     -1.83234195      2.14405008
  H     -0.70148715      0.90517087      0.65831270
  O     -2.39819715     -1.70297088     -2.07278953
  H     -4.15383665     -1.16973216      0.54169813
  H      0.48087054      0.03326320      1.15591885
  O     -4.09517910      2.58127933     -2.68149317
  H     -2.90897080     -1.61230021     -0.27876620
  H      0.96406868      2.20243915      0.87689912
  O      0.72256520     -0.86410365      2.74928159
  H     -4.43621171      0.68671374     -2.50339272
  H      2.15013505      3.18212771      1.04294038
  O     -0.62387555      0.32708145     -2.16383126
  H     -4.01099535     -0.79081562     -2.41169817
  H     -2.75119427      1.05052985      4.25637723
  O     -3.61214790     -0.54478006      4.70608785
  H     -5.48424224     -0.42746545     -0.72157711
  H     -1.45735796      1.87701182      3.91807608
  O      0.31901441      1.81781512      3.71753616
  H     -6.15544859      0.50462971      0.28789787
  H     -5.76765479     -0.27704627      2.13649971
  O     -0.86203760      4.44488366     -0.15822441
  H     -2.05861274     -2.44771106     -2.56139656
  H     -6.04452625      0.88869270      3.10904433
  O     -4.03710562      3.07977999     -0.02273585
  H     -1.74289935     -0.98675941     -2.15596597
  H     -2.43794927      1.40277003      2.06505558
  O      0.21536077      0.65112250      0.46290713
  H     -4.04295033      2.80647461     -1.73761853
  H     -2.72449513      0.29891852      0.98849528
  O      1.21931959      3.07431446      1.22445681
  H     -5.03979624      2.57551484     -2.88414194
  H     -3.09652842      6.30423633      1.04920693
  O     -2.42117191      1.84838236      3.82562372
  H      1.34164026     -1.52532828      3.04535107
  H     -2.19193179      5.08545972      0.75667512
  O     -5.67868001     -0.00367531      3.05622294
  H     -0.16823625     -1.24527957      2.85837593
  H     -6.96254245      2.14857195     -1.63864631
  O     -2.40264701      1.20068888      1.11954125
  H     -0.19269905      0.37917653     -1.29959658
  H     -6.59777363      1.07326754     -2.66940473
  O     -3.01211507      5.36670857      1.20140411
  H     -0.85435707      1.23409982     -2.39637462
  H     -3.58095017      3.22874393      3.59897811
  O     -6.82098905      2.00527028     -2.58460829
  H     -4.38135658     -0.39646423      4.12574540
  H     -3.80801048      4.47080520      2.71189600
  O     -4.24056475      3.89183403      3.34878362
  H     -3.95341816     -0.83935522      5.54598020
  H     -2.35140410      2.88968766     -2.77577206
  O     -1.39522770      3.03017232     -2.66828266
  H      0.64840993      2.36998417      2.99937552
  H     -1.10427566      3.50003837     -3.44706666
          69
 Energy    -248.04179717918402     
  O     16.49813074      4.79586689    -13.32452714
  H     16.57358768      4.73247362    -14.28956819
  H     18.86510713      7.29931837    -15.42274138
  O     14.56377961     12.08419976    -11.43145064
  H     17.38668468      4.78816281    -12.94801181
  H     14.57667629     11.03276382    -14.78531370
  O     16.88720774     11.48055660    -13.05722995
  H     13.99796763     11.81743506    -12.17573327
  H     15.59918680     10.20467324    -15.63550937
  O     10.96191344      7.99595690    -15.58765192
  H     14.24585176     12.93291287    -11.13375026
  H     16.18931932      6.60876879    -13.42036708
  O     18.04770729      6.78673913    -10.33168175
  H     16.19724076     11.82711307    -12.47941763
  H     16.09655404      7.87466578    -14.34088704
  O     12.68719180      6.44523223    -13.93620815
  H     16.49965388     11.45648516    -13.94082928
  H     14.76563096      6.16929759    -10.64532985
  O     13.16974465     11.00608105    -13.54476883
  H     11.37801389      7.89165782    -16.45275483
  H     15.06026206      7.52291483     -9.94810702
  O     13.09220076     10.54408337    -17.22542363
  H     11.39889552      7.36438980    -15.00304064
  H     19.71182305      4.54990447    -11.83775465
  O     16.62047021      5.02464383    -16.02967247
  H     18.07431651      7.67238444    -10.71408650
  H     18.72040525      5.67295456    -11.43673930
  O     16.11752096      8.51913961    -16.02228493
  H     17.11919034      6.62307920    -10.10963146
  H     14.93670836      4.71851621    -12.48472210
  O     14.22226867      6.52190827    -16.33170669
  H     13.01712086      5.73550174    -13.37184850
  H     13.87934526      4.00411968    -11.61600312
  O     18.53158278      7.17433751    -16.32909008
  H     12.85632975      7.24866872    -13.42138509
  H     17.06774021      8.50846116    -12.42494566
  O     15.29046611     11.10170233    -15.43503522
  H     13.28227185     10.10322110    -13.20872769
  H     17.52980584      9.98504644    -12.30346110
  O     15.98575231      7.55119098    -13.43753344
  H     12.36364367     11.00838464    -14.07440538
  H     18.97739389      8.15867053    -13.16249846
  O     15.30036948      6.58964203     -9.96373157
  H     12.36363586     10.74607746    -16.62522595
  H     19.33973785      6.66417939    -13.25214024
  O     19.03743072      5.12841272    -12.18222825
  H     13.89426826     10.84732499    -16.78407431
  H     12.78976355      8.91546940    -17.78552654
  O     14.07037403      4.82892845    -12.05706435
  H     15.77642609      5.43597195    -16.26035467
  H     12.29089059      7.97043965    -18.90613221
  O     17.64701056      9.10280798    -11.92021144
  H     17.30658225      5.67227704    -16.23183553
  H     16.06494510      9.39487241    -10.73994557
  O     19.34072363      7.49057114    -13.75267223
  H     15.44290537      7.85691899    -16.23207220
  H     14.96066751     10.43665243    -10.51462605
  O     12.53280892      7.99696608    -17.98447919
  H     16.97768189      8.15239432    -16.26633497
  H     10.11303973     11.04487774    -15.33431546
  O     15.18707804      9.51136461    -10.35430815
  H     13.63872879      6.91854521    -16.99177625
  H     10.91668992      9.72233203    -15.31816806
  O     10.99546323     10.69170755    -15.26105643
  H     13.71562765      6.44990660    -15.51143524
  H     13.98133235      8.87670712    -11.61827197
  O     13.66961484      8.55047919    -12.47105574
  H     19.28249362      7.25254787    -16.91139578
  H     14.45998296      8.15609021    -12.87601368
          69
 Ord_Energy   -248.041733    
 O   -4.08557796      -4.34749365      0.827313185    
 H   -3.77743006      -3.58418822       1.33709109    
 H   -4.90901518      -4.06182146      0.415500313    
 O  -0.601338923     -0.769565403       2.24411154    
 H  -0.312911987      -1.49998653       1.66667008    
 H    6.33592997E-03 -0.748057246       2.97819066    
 O   -1.90291858      0.980554163      0.358483821    
 H   -1.41467500      0.614761293       1.10348094    
 H   -2.13004231      0.209775552     -0.190128550    
 O    1.04744673      0.923094869      -2.82241869    
 H    1.87163162       1.40085232      -2.77847242    
 H   0.359822601       1.51804113      -2.47926998    
 O   -4.93572140      0.446857274      -2.76577592    
 H   -5.50857496       1.17214680      -3.05094934    
 H   -4.07748127      0.613809645      -3.18504715    
 O   -3.65798211       3.65415549      -4.94617701    
 H   -3.50592732       4.26302004      -5.66348791    
 H   -3.32930565       4.08279896      -4.13483334    
 O  -0.391635150      -2.85326052      -4.44304180    
 H    1.22027500E-02  -3.52451825      -4.98615408    
 H   -1.17341161      -3.26171207      -4.02794170    
 O   -1.74805152      -4.85115576     -0.449659318    
 H   -2.60428739      -4.73230457      -1.97923998E-03
 H   -1.51121712      -5.76879835     -0.336450756    
 O   -2.61391616       1.24059129      -3.96713305    
 H   -1.94044292      0.767405272      -4.47633028    
 H   -2.92061377       2.00295281      -4.47519493    
 O    7.02565983E-02  -2.80198526      0.537268341    
 H  -0.532251179      -3.52393031      0.322768986    
 H   0.289035618      -2.40210772     -0.316316634    
 O   -2.47354054      -1.30140007     -0.967843235    
 H   -1.62546396      -1.52331769      -1.37157977    
 H   -3.17945981      -1.65633667      -1.52057934    
 O   0.163912445      -1.62485325      -1.98029780    
 H    7.89222792E-02  -2.10816026      -2.81223869    
 H   0.526787221     -0.757595599      -2.19784117    
 O   -5.15444040       4.04886055      -1.00286901    
 H   -5.65317583       4.54236650     -0.356693566    
 H   -4.99984169       3.16769838     -0.622837007    
 O   -5.67358160     -0.819744825       1.13751125    
 H   -5.46548128       3.76421809E-02  0.748493373    
 H   -4.84282398      -1.13880432       1.51686406    
 O   -3.14130378      -1.88873529       1.69887698    
 H   -2.93508697      -1.78262389      0.756574869    
 H   -2.37316632      -1.53520381       2.15857220    
 O   -4.63242149      -2.27458978      -2.44880891    
 H   -5.26972771      -2.58786583      -1.79405701    
 H   -4.87111330      -1.36017394      -2.66065669    
 O   -4.61707687       1.48574984     -0.183770746    
 H   -3.70330024       1.38928235      0.115353361    
 H   -4.69249153       1.05567026      -1.04950953    
 O   -1.11779892       2.35003781      -1.91350603    
 H   -1.34759331       1.96571708      -1.05604780    
 H   -1.69006407       1.94123924      -2.58265686    
 O  -0.489771038      -7.05366507E-02  -5.07174301    
 H   0.162860706      0.265949875      -4.44550037    
 H  -0.492969066      -1.03021276      -4.96339560    
 O   -2.80448151       4.57096481      -2.53522778    
 H   -2.13050795       3.95668483      -2.21783113    
 H   -3.56252050       4.47815561      -1.94339561    
 O   -6.04146433       2.87125015      -3.49627852    
 H   -5.87893391       3.37105560      -2.68666673    
 H   -5.35994864       3.16069531      -4.11578369    
 O   -6.33792305      -2.99897814     -0.340721160    
 H   -6.19204712      -2.19704556      0.193169594    
 H   -7.26956987      -3.19549465     -0.294068307    
 O   -2.44225907      -3.91220021      -3.07347965    
 H   -3.27752447      -3.43592310      -2.97696376    
 H   -2.21063399      -4.24893332      -2.19895840    
          69
 Energy    -248.04172276040549     
  O     -3.25399861      0.14016938      5.78864509
  H     -3.96859575     -0.49138940      5.93428975
  H     -0.86359835     -6.48013872      1.01609689
  O      2.71095740     -1.13982888      3.40892194
  H     -2.43905491     -0.34038558      5.98830876
  H      2.88512296     -2.37017071      4.85825831
  O     -2.12829263     -0.66247067      1.62398961
  H      3.09126399     -0.26586892      3.36795854
  H      3.10124934     -3.88228889      5.07663150
  O      0.86771021     -3.11837038      7.32602280
  H      1.74624122     -1.02669721      3.40007883
  H      0.22919352     -4.56240298      3.38374670
  O     -5.24739068     -1.94120203      5.80167895
  H     -2.80375178     -1.35774564      1.61710955
  H      0.32407814     -3.79019863      2.04665369
  O     -1.03428213     -1.53320891      6.01993139
  H     -2.53678917      0.08178751      2.08522117
  H     -1.79400478     -4.18752942      3.02164354
  O     -0.60133193     -5.28210594      6.14532174
  H      1.22954256     -3.10155961      8.20785203
  H     -2.90904840     -4.23709516      4.08718446
  O     -5.50853721     -0.96936030      3.27782912
  H      1.62196813     -3.09238485      6.70970107
  H      4.21577159     -5.87384773      3.90002430
  O     -0.94406619     -2.11815644     -0.48232904
  H     -6.09372213     -1.96911929      6.23990878
  H      3.42548881     -4.75986859      3.17256800
  O      0.72434788     -6.20935242      3.90492420
  H     -5.41392472     -1.63894086      4.89080589
  H     -3.97582525     -3.03389019      0.70735575
  O     -2.74711163     -6.22520922      1.06138675
  H     -0.36581155     -1.99339692      6.54269808
  H     -3.68211989     -3.26296744      2.20513955
  O      0.09795080     -6.43286276      1.08275056
  H     -0.64126383     -1.33192915      5.15944247
  H      2.63280310     -3.67261101      1.28156799
  O      2.86414649     -3.06304035      5.52866855
  H     -0.07715930     -4.62166551      6.61546620
  H      3.17667990     -2.67245124      2.32931801
  O     -0.06138236     -3.75940591      2.93198243
  H     -1.48828610     -4.90936661      6.09031018
  H     -0.72105629     -0.84564154      2.83557748
  O     -2.71791207     -4.44182234      3.16276951
  H     -5.16006787     -1.58016840      2.61265203
  H     -0.00919466     -2.11315935      3.34324032
  O      3.41736402     -5.35452014      3.94504207
  H     -4.97058407     -0.17294942      3.20457638
  H      0.72284178     -4.87136814      0.45097024
  O     -4.08110725     -2.63798308      1.58293250
  H     -0.84392395     -1.56122470     -1.25243122
  H      0.38492054     -3.40526107     -0.03466591
  O      3.33191957     -3.53974289      1.93691253
  H     -1.28414486     -1.54559095      0.22251878
  H     -3.67982308      2.07333971      3.31963654
  O     -0.03694457     -1.14555258      3.44529536
  H      0.27866896     -6.03841543      4.74919847
  H     -3.36425855      0.83601913      4.19131744
  O      1.05115845     -3.95900446      0.38797278
  H      1.66796314     -6.03478149      4.01865299
  H     -3.80049347     -3.14305263      5.85766417
  O     -3.50027110      1.13798521      3.27490959
  H     -3.37876861     -6.93444410      1.15616894
  H     -2.28100342     -2.88876011      5.83981847
  O     -2.94813404     -3.58646508      5.76417360
  H     -2.81014234     -5.68632233      1.86755072
  H     -2.99048837     -4.78844428     -0.22639652
  O     -3.19838545     -3.95509709     -0.66809864
  H      0.30528350     -6.52366180      2.02214707
  H     -2.37749051     -3.44990065     -0.70224804
          69
 Energy    -248.04146703705854     
  O     12.61962706     10.04393880    -11.60013937
  H     13.15601215      9.47294143    -12.16263705
  H     15.07544285     14.35372804     -8.31048483
  O     12.37450848      7.26271601    -14.63821662
  H     12.47267942     10.88601132    -12.04944276
  H     11.70882532     12.63645012     -9.12780370
  O     11.73336147     12.58695998    -12.41962131
  H     12.37485005      6.75134024    -15.44221538
  H     10.29234139     12.32395763     -9.64921934
  O     14.36716493     10.33619759     -9.49472332
  H     12.20329985      8.18940371    -14.89197139
  H     11.80079195     10.56564261     -7.57790099
  O     13.11808607      6.45433089    -10.66983994
  H     11.49203148     12.75933712    -11.49792653
  H     10.53849180     10.01725999     -8.24896831
  O     14.44293443     15.87668952    -11.46271492
  H     12.59971137     12.98215222    -12.58382380
  H     13.27730053      7.50647674     -9.05093606
  O      9.93346458      9.46558120    -11.76433144
  H     13.70557101     10.26950262    -10.19998109
  H     12.64427160      8.51729347     -8.05723678
  O     14.31888411     13.43255184    -12.78736770
  H     14.26039106      9.52656485     -8.97455052
  H     15.46850777     11.30839632    -10.49762578
  O     16.08835924     14.26135157     -9.73439815
  H     12.27172109      6.54713245    -11.14137179
  H     16.21977632     11.17691409    -11.83857124
  O     12.54436557     15.35045036     -9.59535282
  H     13.22200474      5.52558500    -10.47640146
  H     12.79823414     10.39586875    -15.05436038
  O     14.26538034      8.01370412    -12.71756173
  H     14.46280362     16.80633942    -11.67155569
  H     11.25619212     10.34648335    -14.85174524
  O     14.40639268     14.44756690     -7.60879212
  H     13.70898479     15.74264400    -10.83588311
  H     10.51037735     11.85748147    -13.42965363
  O     11.03781853     12.92476404     -9.76566121
  H      9.73867753      9.99394456    -12.54858930
  H      9.27367096     11.89033284    -14.36043229
  O     11.29240443      9.75472604     -7.71124797
  H     10.88529273      9.57500807    -11.60476845
  H      8.27551419     10.64257154     -9.22793147
  O     13.47163297      8.07128080     -8.29445567
  H     14.38752587     14.34050999    -12.46767249
  H      9.35811240     10.26785136    -10.26516475
  O     15.94089751     11.81780586    -11.17413607
  H     14.87192948     12.88926192    -12.20691297
  H     15.04103542     10.79534411    -14.25836624
  O     12.01034222      9.84508340    -15.17809729
  H     15.68663452     14.87084734    -10.36591458
  H     14.30586596     12.13850213    -14.16624412
  O      9.88288361     11.30027782    -13.92466288
  H     16.19769540     13.42240975    -10.20040207
  H     17.07762475      9.37062922    -13.48522577
  O      9.18787506     10.79056322     -9.46465331
  H     13.07990808     15.12818371     -8.82252277
  H     15.64369849      9.11343797    -12.96955670
  O     14.29778289     11.28858861    -14.62393239
  H     11.88757795     14.64834367     -9.67573790
  H     11.29612320      6.92542899    -13.10083136
  O     16.29475697      9.80949357    -13.16143880
  H     14.03013584      7.47827642    -11.94770259
  H     10.39780490      7.63646480    -12.06532388
  O     10.91000402      6.83338867    -12.22003060
  H     13.71586328      7.70127427    -13.44928671
  H     13.51722580     11.50646061     -8.43200276
  O     12.92605267     12.08861009     -7.93127241
  H     14.83988457     14.85994465     -6.86675957
  H     13.44270335     12.86128724     -7.67512022
          69
 Ord_Energy   -248.041443    
 O   -2.46692300       1.56904745       2.58717132    
 H   -2.25070810      0.626460195       2.50905108    
 H   -3.18830609       1.62978363       3.22384071    
 O   -3.75894761       2.42193961      0.229045883    
 H   -3.06212115       2.75880265     -0.346598953    
 H   -3.31646395       2.12284994       1.03703058    
 O   -3.74263301E-02  -1.83285141      -3.32709026    
 H   0.258854568      -2.17900443      -4.16458511    
 H  -0.839568496      -2.32819915      -3.08572102    
 O   -6.57664251      -3.21196842     -0.669572830    
 H   -7.35835934      -3.61377287      -1.04001486    
 H   -6.03705215      -2.90354633      -1.41930604    
 O   -1.22026193      -3.57797360       3.21360922    
 H  -0.610428989      -3.88240886       3.87931061    
 H  -0.883324862      -3.89537024       2.35470605    
 O   -4.64503145      0.133718356      -1.05377030    
 H   -4.37769461       1.00379205     -0.729923129    
 H   -5.25729084     -0.224430382     -0.393600464    
 O   -4.69537210      -1.26481807       3.13741851    
 H   -3.78867745      -1.24741197       2.79550838    
 H   -4.81023741     -0.443222463       3.62842751    
 O   -4.95909405      -2.19463062      -2.61238623    
 H   -4.06546307      -2.55527925      -2.66305208    
 H   -4.86552668      -1.29109454      -2.28038526    
 O   -4.46819258      -4.79212570      0.467613339    
 H   -5.22241068      -4.29268646      0.139085531    
 H   -4.37014389      -4.57621527       1.40637970    
 O  -0.321887344      0.600105584      -1.97388804    
 H  -0.212443039     -0.139527828      -2.58555794    
 H   0.395473361      0.540875375      -1.32574558    
 O   -6.30878782     -0.884679079      0.903472126    
 H   -6.52822351      -1.71165121      0.456662029    
 H   -5.78608704      -1.11110830       1.68673766    
 O   -2.24560261      -3.06821322      -2.31466293    
 H   -2.24851489      -3.95452714      -1.93024015    
 H   -2.23148036      -2.44096303      -1.57469285    
 O   -2.19603610     -0.980437756     -0.502236187    
 H   -1.55176294     -0.406188548     -0.931618333    
 H   -3.07269788     -0.609063745     -0.680476964    
 O  -0.157037854       2.27267599       1.16516805    
 H  -0.553493261       2.70343828      0.399121374    
 H  -0.882799387       2.11304641       1.78314066    
 O  -0.355397344      -4.31005287      0.796879172    
 H   0.164366513      -3.67853403      0.279805869    
 H  -0.961215734      -4.74840307      0.189324796    
 O   -4.87877226       1.42315388       4.08445454    
 H   -5.29007483       1.86141050       4.82415724    
 H   -5.40843153       1.64179218       3.29621291    
 O   -6.15572691       1.85379469       1.72528768    
 H   -6.39627123      0.979720354       1.39020360    
 H   -5.48639393       2.20202231       1.12304020    
 O   -4.05780935      -4.03704929       3.09508729    
 H   -3.10319400      -3.96085262       3.21762609    
 H   -4.41633272      -3.15612054       3.25973487    
 O   -1.46246111       3.02301693      -1.31176805    
 H   -1.25987911       3.69909382      -1.95381701    
 H   -1.10556626       2.18965960      -1.66172731    
 O   -2.06748104      -1.11615598       2.23587012    
 H   -2.04514980      -1.18435609       1.27044237    
 H   -1.68554747      -1.92191398       2.60458255    
 O    1.04995883      -2.40118194     -0.663350582    
 H   0.804445326      -2.25668287      -1.58352411    
 H    1.19743407      -1.52644145     -0.285417914    
 O    1.46399772      0.350362152      0.149157494    
 H    2.37263989      0.580466568      0.327108979    
 H   0.917356014      0.999747515      0.626181185    
 O   -2.30656528      -5.47039223     -0.938521624    
 H   -2.34479547      -6.40294981      -1.12972665    
 H   -3.10430288      -5.25599432     -0.417731017    
          69
 Energy    -248.04140895610988     
  O     -2.76141114     -0.36427791      2.84695496
  H     -3.08882864     -0.03439949      3.69327399
  H     -2.54407067     -4.05142203      5.66768053
  O     -2.80661144      3.30320071      4.46057321
  H     -2.44546519     -1.27108030      2.98152711
  H     -1.90318342     -2.68985744      7.69145613
  O      1.83751154     -1.16428493      2.69581645
  H     -3.29035546      4.09227487      4.22753739
  H     -3.27471896     -2.00081239      7.55535936
  O      3.17021552      1.29008592      3.20374672
  H     -1.96416561      3.34585495      3.97803253
  H     -0.71280216      0.31853713      6.96266422
  O      1.46036405     -1.80207348     -0.01463267
  H      1.79468108     -1.42703019      1.76849127
  H     -1.86160076     -0.34499148      7.77222434
  O     -1.60681260     -2.83474899      3.16586821
  H      1.10823794     -0.54284648      2.85003400
  H     -0.41585974     -4.69501674      7.02821232
  O     -1.08911779     -2.56242831      0.41513228
  H      2.70499471      1.85333113      2.57428859
  H     -0.27822156     -3.52276440      6.03597615
  O     -2.33005788      0.02947376      0.18335957
  H      2.89415375      0.38515899      3.00788498
  H     -1.44452904      2.35518361      7.30879470
  O     -0.30226524      3.35273899      3.28641638
  H      0.56404389     -2.16917204      0.09560353
  H     -1.92625192      3.37380645      6.26453160
  O      1.61323371      2.83633301      1.30489930
  H      1.90843296     -2.34900075     -0.65350915
  H     -4.32128291     -0.80908313      5.86661148
  O      0.67698585     -2.50016300      4.86549770
  H     -2.25069151     -3.31212301      3.71050788
  H     -5.55463220     -1.55728319      6.41136199
  O     -3.26394452     -3.91277653      5.03840690
  H     -0.81748422     -2.71505386      3.70710921
  H     -0.20689588      1.54466781      3.38832725
  O     -2.46978362     -2.01654444      8.08746857
  H     -1.60037971     -1.76755715      0.22129326
  H     -1.08983880      0.27681490      3.22887467
  O     -1.58386148      0.48081550      7.35259849
  H     -1.28406762     -2.79229105      1.33415492
  H      1.69849005      3.15633550      5.80640287
  O     -0.88916574     -3.95587148      6.65289098
  H     -3.11707937      0.28260293     -0.29259531
  H      0.28421981      3.64422546      6.23302296
  O     -1.33375188      3.27001571      7.01687451
  H     -2.57655304     -0.02701308      1.12218061
  H      3.83633024      1.79973717      6.27098470
  O     -4.63144548     -1.66760495      6.19469832
  H      0.31434404      3.33784219      2.54487889
  H      3.10779521      1.59657140      4.92018867
  O     -0.20772302      0.58243644      3.46834979
  H      0.20553562      3.58557308      4.08353240
  H      0.84591344     -0.00680194     -0.14741091
  O      1.00400863      3.79139054      5.60098453
  H      1.18075876      2.13361591      0.78710277
  H     -0.53940539      0.65454598     -0.01898137
  O      2.97209119      1.71712699      5.87750971
  H      2.05061059      3.40823131      0.67934180
  H     -2.77687809      0.60798819      6.02540214
  O      0.40408950      0.84796507     -0.07524019
  H      1.23121851     -2.28021090      4.10488937
  H     -3.37105265      1.60981817      5.00961423
  O     -3.43666153      0.69773875      5.31975994
  H      0.70317555     -1.70336913      5.41671355
  H      0.38593982      0.26399061      5.12181201
  O      0.75359470      0.02046634      5.98640119
  H     -3.80882417     -3.20494665      5.40452843
  H      1.55601801      0.54473392      6.09649091
          69
 Energy    -248.04131200898897     
  O     10.34154116     13.09374420    -11.14863083
  H     11.03811039     13.65454944    -10.77599075
  H      9.83552736     12.00059886     -9.92739371
  O     12.32506994      8.76228111    -16.39571794
  H     10.60136540     12.91586479    -12.05897531
  H     13.70665521     11.95208976    -11.48625338
  O     10.27754617      8.93596970    -10.47649825
  H     12.35517907      8.26796809    -17.21043221
  H     13.05025113     12.66995178    -12.69228064
  O     13.46357571      8.58782715    -13.81064371
  H     11.38594305      8.85682394    -16.15874267
  H     16.88176935      9.18004232    -11.06421982
  O     13.69458219     13.40754176     -7.71128502
  H     10.82138862      8.37286156     -9.91499455
  H     16.52617106      8.75535752     -9.60829583
  O     13.13277108     11.48724237    -15.80095781
  H     10.01051094      9.70161469     -9.95387249
  H     13.75287391      8.02251262    -12.10690506
  O     10.96000518      9.61464606    -13.01965564
  H     14.08154341      9.33408937    -13.82449514
  H     14.83309098      8.04464312    -10.96838520
  O     13.61135437      8.80491127     -7.38804912
  H     13.14593716      8.48115018    -14.71541894
  H     12.78789634      7.36741775     -9.93505494
  O     13.56222375     10.65384862    -10.32962611
  H     13.99803607     13.96800390     -7.00142079
  H     11.99821933      6.23722719     -9.23300203
  O     12.08998545     11.09107150     -7.98001217
  H     14.45831370     12.88179176     -8.00256161
  H     17.24857662     11.39381035    -11.86866986
  O     16.53744164     12.83061144    -11.15953543
  H     13.95901468     11.32249130    -15.33067291
  H     18.40387645     10.62843815    -12.55700985
  O      9.61402934     11.39544464     -9.19536635
  H     12.85428171     10.62417547    -16.12993815
  H     11.99300659     12.14356698    -14.48137257
  O     13.84310084     12.66157332    -12.13663867
  H     10.69190627      9.34881396    -12.12834397
  H     11.29000847     11.36332960    -13.35540790
  O     16.46633453      8.48952845    -10.53356400
  H     11.82882350      9.23347349    -13.19933366
  H     15.98928317     10.97405359     -8.29690317
  O     13.88323155      7.96748906    -11.15174688
  H     13.12888909      8.14531711     -7.90154958
  H     14.93876144     11.31711925     -9.36314713
  O     12.17245852      7.17475152     -9.20489485
  H     13.06734350      9.60283020     -7.42881886
  H     14.73115154     11.47805652    -13.28287545
  O     17.50120878     10.53963543    -12.26158981
  H     13.63072033      9.73137488    -10.60203269
  H     16.00479797     10.62159044    -13.43234263
  O     11.55388674     12.25559571    -13.62653482
  H     12.93448618     10.70911049     -9.59760085
  H     16.75560227      8.81049134     -7.03904247
  O     15.59132072     11.71706388     -8.76628317
  H     11.18772966     11.24596671     -8.28972663
  H     15.32653705      9.03094188     -7.58966599
  O     15.14417445     10.79690140    -13.83056980
  H     12.49230768     11.94794973     -7.79041542
  H     12.96982031     14.15269106     -9.33450839
  O     16.26939592      9.22333148     -7.74732831
  H     15.67966170     13.00428043    -11.56647636
  H     13.14988413     13.97344683    -10.85474560
  O     12.59742537     14.39971000    -10.18859905
  H     16.34690784     12.57294534    -10.24700557
  H      9.05953964      9.73034629    -15.61913107
  O      9.79338012      9.14100588    -15.46325161
  H      8.73663774     11.62658651     -8.90352329
  H     10.07010842      9.29440071    -14.54430971
          69
 Energy    -248.04130627817239     
  O     -0.77093526     -0.78102731      3.48649739
  H     -0.82103874     -0.56460014      2.54734532
  H     -0.14755739      4.21672573      2.36716761
  O     -0.10524377     -0.51716506      7.54328877
  H     -1.63986814     -0.55058450      3.85515085
  H     -0.67417886      3.59312270      4.61205012
  O     -6.46222693      0.77613935      2.51795613
  H     -0.59864229     -1.27164310      7.17561512
  H     -0.48499378      2.17409996      5.17837437
  O     -4.86663435     -1.54443254      2.57687143
  H      0.36731477     -0.84351898      8.30453398
  H      0.00822845      2.82306185      0.59152208
  O     -2.71289504     -2.56222483      0.98055352
  H     -6.29810063      1.17360581      3.37913800
  H     -1.48761694      3.10732099      0.80159333
  O     -1.29027817     -0.16755125      0.81323392
  H     -6.03330763     -0.09119626      2.52457523
  H     -1.44435309      0.83846190      7.55163160
  O     -1.59108418     -2.55813350      6.52685979
  H     -4.28993004     -1.02952442      3.16420962
  H     -1.83299889      2.11278056      6.77228696
  O     -4.38334289     -2.47582715      7.16450822
  H     -4.28211110     -1.91462353      1.90571187
  H      1.43238402      3.00952131      3.14055743
  O     -4.48450333     -3.40718051      4.64181953
  H     -2.19755215     -1.74895180      0.85211099
  H      1.62612882      1.64342647      3.82141017
  O     -2.96342171      2.02441762      1.03887153
  H     -2.74491057     -2.99552260      0.13068531
  H     -3.62161488     -0.04565025      5.13745876
  O      1.13257243      1.23036568      0.57293567
  H     -0.43217388      0.22668023      0.61023135
  H     -3.29778208      0.87279767      3.93648126
  O      0.19756707      4.49892833      3.23341106
  H     -1.92613278      0.56264212      0.86733776
  H     -5.93535478      1.47629129      0.97205334
  O     -1.08816103      2.93152144      5.18174257
  H     -1.58596710     -2.97659123      5.66022805
  H     -6.26759064      2.07112080     -0.40738369
  O     -0.61326872      3.51960916      0.83284270
  H     -2.51096672     -2.55648127      6.82006379
  H     -3.70847722      0.71466090      7.08566440
  O     -2.15824435      1.47481462      7.41909235
  H     -4.81696215     -3.06883819      7.77233121
  H     -4.52765876     -0.62797248      7.00480428
  O      1.85250701      2.14812928      3.02885472
  H     -4.51943910     -2.83996140      6.27010519
  H     -6.46851190      2.58014718      5.54434602
  O     -3.26076711     -0.04306213      4.24318533
  H     -4.87129663     -2.85745006      3.94855490
  H     -5.43741743      1.44267858      5.71274884
  O     -5.53919635      1.81615485      0.15154522
  H     -3.56131553     -3.51294610      4.37674357
  H     -1.28445768     -2.51858603      3.68591416
  O     -4.50430999      0.29349705      6.72040222
  H     -3.13051862      2.31478536      1.94684534
  H     -2.12612773     -3.37221855      2.76621484
  O     -5.80139863      2.08243539      5.07792958
  H     -3.82635749      1.97585041      0.60403971
  H      0.25325704      0.16571860      4.54411383
  O     -1.80127156     -3.33828542      3.67352662
  H      1.43974589      1.49667210      1.45825914
  H      0.59639231      0.35406611      6.03794041
  O      0.69671998      0.76087062      5.16992417
  H      1.91092966      1.14854835      0.02820846
  H     -4.22963726      2.67527468      4.19135571
  O     -3.40848739      2.66260494      3.68370383
  H      0.43574166      5.41802540      3.14687155
  H     -2.66190178      2.83057930      4.27691942
          69
 Energy    -248.04128857871399     
  O     11.67816122     10.88203822    -15.10669679
  H     12.11268478     11.69199316    -14.81596732
  H     18.27609576      8.41755967    -12.66079358
  O     15.55855966      7.02907335    -13.37727660
  H     12.28848602     10.45075069    -15.72099343
  H     15.84221760     12.61493518    -15.74833185
  O     16.68603133     11.08794197    -11.02290362
  H     16.08570771      7.40599130    -12.65859239
  H     15.00973881     12.38028981    -17.01641025
  O     17.14520897     11.62590552    -14.95118910
  H     14.73958955      6.71784996    -12.97362700
  H     15.38974919      8.69571878    -14.15297154
  O     13.27251129      6.79846868    -16.84054808
  H     17.42956381     11.36923836    -11.56869512
  H     14.70500777      9.58283373    -15.23657171
  O     14.67911749      8.09113598     -9.58036236
  H     15.86971399     11.24604649    -11.51964783
  H     10.98014523      9.77604904    -14.01163749
  O     13.20715148      6.40722053    -12.00417695
  H     16.57402799     10.86668471    -14.75344480
  H      9.70897360      9.24089660    -13.30638959
  O     14.32873597     11.20484678    -12.49269747
  H     17.77259583     11.70603606    -14.22525583
  H     12.30576620      6.44070589    -13.68122820
  O     17.64500566     10.21223454    -17.29828249
  H     12.81895668      6.22682154    -17.45444829
  H     11.40450042      7.55906149    -14.21098421
  O     18.33333021      7.78658101    -15.96434269
  H     12.77599767      6.75681865    -16.00298809
  H     19.76983108     11.79560326    -12.61756714
  O     16.00525614      6.40725056    -16.01492356
  H     13.94948703      8.47363877    -10.08164989
  H     18.96159879     10.52127032    -12.97184335
  O     18.84555587      8.83348124    -13.31877214
  H     15.02504004      8.81689765     -9.03895672
  H     16.87335978      9.23514220    -11.25973943
  O     15.04318452     12.90738538    -16.21166283
  H     13.05457462      7.35295849    -11.83675499
  H     16.17147935      8.01652391    -10.66891389
  O     15.29943510      9.60036695    -14.47464862
  H     13.40361266      6.02356217    -11.15119517
  H     16.19582530     10.71429811     -9.29158665
  O     10.64833642      9.10220492    -13.38979552
  H     14.64937904     10.61064380    -13.19013360
  H     16.45070262     10.65900679     -7.77779077
  O     11.91493184      6.78938705    -14.49147969
  H     13.91741188     11.94854377    -12.94793440
  H     15.36906828     11.15323878    -19.30199205
  O     18.88513872     11.47027786    -12.75821941
  H     17.63598880     10.80810943    -16.53610035
  H     16.14700407     10.64974949    -18.06324167
  O     16.84940629      8.27053834    -11.31218738
  H     17.89856901      9.35344430    -16.94003538
  H     13.28672107      9.85602903    -11.77356845
  O     15.84934894     10.36260751     -8.45648376
  H     17.50192676      7.28670800    -16.04376533
  H     11.95430982      9.13119277    -12.05902086
  O     15.27460278     10.95195739    -18.37520827
  H     19.02458042      7.21110028    -16.28389503
  H     13.84395567     13.09304641    -14.97263150
  O     12.75627098      9.08830146    -11.52136109
  H     15.12882104      6.49628505    -16.40332845
  H     12.92904528     14.03281679    -14.15332182
  O     13.20289838     13.12376531    -14.23939205
  H     15.87133783      6.47618203    -15.05715191
  H     14.10971098      9.98092813    -17.35893837
  O     13.58145931      9.56664474    -16.66396016
  H     18.62660105      8.45532764    -14.17902727
  H     13.48131655      8.62732080    -16.86469895
          69
 Energy    -248.04124678607150     
  O     11.83692047     11.37163071    -12.73797178
  H     12.15436394     10.72804056    -12.09039294
  H     18.52984546      9.29808870    -15.93180468
  O     16.13886800      7.73090991    -13.67599766
  H     12.30919673     12.19058965    -12.54452697
  H     13.95719489     13.44054159    -15.48357662
  O     17.85906862     10.61999980    -11.64042915
  H     17.06956483      7.89076145    -13.47567199
  H     15.33092717     13.78988627    -14.87530844
  O     17.00614688     13.26613966    -15.26253276
  H     15.73601877      8.58980577    -13.87074387
  H     14.12797257     10.18665730    -14.49842965
  O     12.63814465      7.59129978    -15.57530822
  H     18.31436113     11.18264225    -12.27974216
  H     15.15825398     10.70191884    -13.45138045
  O     14.79722646      8.15294365     -9.26751425
  H     16.93359535     10.90600063    -11.63479566
  H     18.45912448      5.50897227    -10.51577140
  O     15.19106357     11.33970140    -11.74760143
  H     17.70705694     12.91196173    -14.70415372
  H     17.17260691      6.20759969    -11.01112908
  O     17.33795142      8.71546259    -17.34523071
  H     16.79166402     12.56105508    -15.88747892
  H     13.56340915      6.63016902    -12.44309770
  O     15.40336903      6.34255418    -11.43039858
  H     11.84309861      7.23167411    -15.96223691
  H     12.84912004      7.23109190    -13.68060407
  O     15.95539596     11.06521379    -16.70316600
  H     12.48898343      8.54715171    -15.47672041
  H     19.11283351     11.17062349    -14.37971901
  O     15.38779553      7.15610141    -16.27401337
  H     14.61138884      7.88701485     -8.37070757
  H     19.96295050     12.33846524    -13.82829557
  O     19.09493084      9.64842151    -15.23476303
  H     15.71714670      8.47074801     -9.28113750
  H     18.45128458      9.05541820    -12.37660764
  O     14.37579436     13.90115032    -14.75004723
  H     14.73125702     12.18622926    -11.81770782
  H     18.70605872      7.53645238    -12.16907068
  O     15.06495618     10.18907581    -14.26389555
  H     14.52595055     10.67878468    -11.50400852
  H     17.65817582      9.51811057    -10.11697386
  O     18.11239812      6.34816597    -10.80744059
  H     16.62919010      8.13165085    -17.02097745
  H     17.80174872      8.00475104     -9.83384476
  O     12.86138577      7.22853183    -12.71633021
  H     17.70516789      8.29581337    -18.11868968
  H     13.27676904     12.57041599    -17.80027853
  O     19.09083004     11.95251266    -13.79866102
  H     15.59738194      6.87569017    -12.21986686
  H     14.35974129     11.82142441    -16.98851438
  O     18.72436939      8.24100663    -12.82749815
  H     15.10633339      6.94290321    -10.73419625
  H     13.65176336      9.08777542    -10.38465222
  O     17.41653067      8.82119720     -9.49304528
  H     16.45561873     10.34200613    -17.09668508
  H     13.02949589      8.71972709    -11.74804584
  O     13.46991820     12.21143728    -16.93790997
  H     15.72382498     10.76757913    -15.80770261
  H     13.42568853     14.42605809    -11.80924547
  O     13.22102324      9.46710101    -11.16054582
  H     14.43377530      7.26871489    -16.19561220
  H     13.85757378     13.75383392    -13.13633201
  O     13.58703159     13.57950666    -12.21548269
  H     15.71272420      7.17315705    -15.36187923
  H     12.08477764     10.70046991    -14.35207778
  O     12.41001657     10.28773089    -15.16810032
  H     19.07956466      9.01086261    -14.50797167
  H     12.61562734     10.98260772    -15.80547222
          69
 Energy    -248.04123053031810     
  O     13.69205945      4.05401201    -16.05387119
  H     13.92601199      3.86509410    -15.13407300
  H     19.80312554      6.02255403    -17.24213801
  O     17.92517713      6.73499346    -12.11578947
  H     13.25826315      4.91288420    -16.04008380
  H     18.88706328      9.43463252    -16.42803803
  O     18.80488735      6.70190743    -18.53062478
  H     18.69082467      6.87296893    -12.69210579
  H     17.56899172      9.57428931    -17.23710355
  O     16.00170066      6.04321852    -19.18478571
  H     17.20375805      7.26258126    -12.48896136
  H     17.49283079      7.63517021    -16.20543327
  O     13.90511477      6.19956928    -10.46606624
  H     18.73485250      7.61380774    -18.21102147
  H     16.02676875      7.19222765    -16.36659220
  O     14.47102864      3.92000469    -13.37122228
  H     17.91134476      6.44316694    -18.77972292
  H     12.94843735      6.78507377    -14.82465296
  O     15.91320334      8.06095601    -13.44152065
  H     15.98684878      5.22373341    -18.65452571
  H     11.73607100      6.90726812    -15.77023559
  O     17.89346510      4.49731479    -15.62865177
  H     15.86377384      5.78425481    -20.09201976
  H     16.62497753      4.34685353     -9.97176215
  O     13.80415316      3.32137803    -10.69399228
  H     13.74206142      5.24773639    -10.44598438
  H     16.85293723      3.50031231    -11.23401013
  O     19.46382026      9.99935747    -14.76180850
  H     14.81501997      6.30932789    -10.16505968
  H     20.03839997      6.75610745    -14.81830306
  O     15.96565134      3.89601062    -17.60539995
  H     14.12065118      3.60927860    -12.52734734
  H     19.80435674      8.18414251    -14.26774933
  O     20.28624257      5.70706722    -16.45804542
  H     15.43236080      3.97160578    -13.27091313
  H     17.47540738      5.02633161    -12.66678279
  O     18.38450873      9.06213195    -17.16400620
  H     15.06451408      7.62650654    -13.29487477
  H     17.52559079      4.09399244    -13.89509331
  O     16.81565823      7.06224648    -15.82522324
  H     16.26919111      7.69519429    -14.26696287
  H     17.23100761      6.45425438    -10.50428299
  O     12.68157417      6.77580568    -15.75925181
  H     18.80460436      4.68596987    -15.88177743
  H     17.12674426      6.71352540     -8.98602243
  O     16.48841870      3.46386220    -10.33899829
  H     17.44493830      5.35712021    -15.65546880
  H     14.99111729      7.17182679    -18.13590417
  O     19.84554433      7.25352350    -14.01562226
  H     14.75783502      3.27646946    -10.49768837
  H     13.93135774      7.40228057    -16.97989410
  O     17.21431197      4.15018997    -12.98167513
  H     13.38992608      2.60783215    -10.21699124
  H     13.55250644      6.60534889    -12.20377033
  O     16.71898083      6.23919486     -9.70633550
  H     18.54380567     10.23542752    -14.54438981
  H     13.91456948      5.64295301    -13.33715073
  O     14.67177735      7.79095860    -17.46365178
  H     20.01087416     10.72486727    -14.47321739
  H     16.38748337     10.53570650    -15.25749139
  O     13.59422816      6.54198118    -13.16897666
  H     16.67930302      3.91097511    -16.95630258
  H     16.42880904      9.75723615    -13.92824517
  O     16.82130203     10.50786515    -14.39672384
  H     15.13826155      3.86015961    -17.10211754
  H     15.33789959      9.43545276    -17.24820729
  O     15.81840121     10.26827464    -17.10626973
  H     21.13565114      5.40188245    -16.76613246
  H     15.38961957     10.92717127    -17.64677220
          69
 Energy    -248.04090949989768     
  O     15.02149152     10.42003710    -10.58475140
  H     15.02866111     11.18595255    -11.17201366
  H     18.82018886      6.79397871    -16.86751992
  O     15.39207560      5.09274894    -12.52630390
  H     15.95429285     10.22185688    -10.40320168
  H     16.03220728     10.31940117    -15.68729193
  O     15.03214924     12.34797697    -12.71033387
  H     14.71282133      5.12497469    -11.83871929
  H     15.55299489      8.89481778    -16.05586884
  O     17.05265648     11.07571153    -14.41757548
  H     14.93280426      5.03594923    -13.37337540
  H     15.12258662      8.30561108    -12.72841431
  O     10.71269315      7.62890080    -15.06161967
  H     14.93777777     13.29785332    -12.72367898
  H     15.82149684      6.91821182    -12.62314456
  O     17.44714295      7.02695799     -9.28080296
  H     14.40705596     11.99839123    -13.36662536
  H     14.69701384      8.62586882     -9.73820882
  O     12.23575312      6.77891526    -12.85690287
  H     16.53350946     11.56335831    -13.76925598
  H     15.63637514      7.45496690     -9.39161523
  O     13.43963908     11.01321196    -14.54890777
  H     17.62556711     10.48381607    -13.91165024
  H     18.54177418      5.86717159    -12.17843116
  O     13.01757524      8.95944852    -17.52819057
  H     11.08357353      7.29950609    -14.23226012
  H     17.17534517      5.18582006    -11.89379788
  O     15.92946217      7.18517212    -15.53044747
  H     11.12092153      7.10426722    -15.76108831
  H     13.04417427      5.04399103     -9.86932123
  O     13.76963469      5.53948247    -14.85649817
  H     17.66832683      6.48094240    -10.05527613
  H     13.81309178      6.35090716    -10.17823797
  O     18.57503066      6.54128638    -15.98073409
  H     17.89957823      6.64066476     -8.53551830
  H     17.48643853      8.70416639    -12.78528029
  O     15.35356557      9.83271473    -16.18063083
  H     12.43848504      6.27695240    -12.05960080
  H     18.97433917      8.42705602    -13.04916573
  O     15.95212063      7.83796276    -12.88474458
  H     12.62862501      7.65552226    -12.71812655
  H     19.32226966      6.59843852    -14.38576819
  O     14.70750018      7.68654244     -9.52838329
  H     12.57219665     10.86609481    -14.94600581
  H     20.59301661      6.43097920    -13.52327925
  O     17.98055333      5.51747813    -11.47594406
  H     14.09554888     10.61665253    -15.14231433
  H     17.67860856      8.84329126     -9.80590904
  O     13.39379878      5.56979868    -10.58349214
  H     13.86233331      9.32193547    -17.23216222
  H     18.04826827      9.64416464    -11.06388358
  O     18.35603139      9.13497107    -12.84013150
  H     12.33740463      9.47642813    -17.07957563
  H     12.61601599      7.26244559    -17.31416111
  O     19.67444523      6.68572950    -13.48358317
  H     15.19557540      6.56160278    -15.47222499
  H     12.02757493      5.97094071    -17.92806691
  O     17.64914773      9.72918177    -10.18770629
  H     16.04080915      7.51356934    -14.62449028
  H     10.23979277     10.61312699    -16.01327221
  O     12.30362267      6.36409566    -17.10443783
  H     13.23733812      5.97198931    -14.17212937
  H     10.88601172      9.31218534    -15.48030447
  O     11.07802010     10.21219171    -15.80023466
  H     13.27277439      5.64922591    -15.67745958
  H     13.43443227      9.78962286    -13.21148591
  O     13.52024691      9.14830988    -12.49460146
  H     17.62632557      6.73010887    -15.90357120
  H     13.93548706      9.59912629    -11.74555286
          69
 Energy    -248.04077704600491     
  O     17.62221874     11.03377547    -14.25652729
  H     17.67210945     10.75447292    -13.33638744
  H     14.50161382     12.45549308    -11.24310307
  O     15.01425672      6.77930722    -11.10440085
  H     16.82868620     11.57699620    -14.33834572
  H     14.39801461     10.01050642    -11.42588138
  O     11.74526443      8.70798114    -13.45761339
  H     14.06460149      6.62227630    -11.18538424
  H     14.86554219      8.52415415    -11.64015907
  O     13.42933157     11.16635687    -10.40881225
  H     15.42293502      6.45181285    -11.91855043
  H     17.94603596      9.67926846    -15.28881020
  O     13.56382219      5.89678281    -16.33355454
  H     11.45872366      7.99082947    -14.04436410
  H     18.73659001      9.00572395    -16.43783179
  O     16.00273704      5.99826201    -13.55076259
  H     12.46507178      9.17378445    -13.90284043
  H     11.20367254      3.83385971    -12.51691275
  O     14.02805959      9.95371926    -14.49520195
  H     13.60515633     10.71886823     -9.57006654
  H     12.00230550      5.14866422    -12.37499590
  O     14.25650564      3.90869223    -14.31364678
  H     12.53143596     10.93852036    -10.68279354
  H     18.40837630      7.93377537    -14.07309003
  O     14.03677864      9.52087887     -8.22623003
  H     13.85674939      5.15453954    -15.79304326
  H     17.66989720      6.89991077    -13.21557747
  O     16.30104249      8.37709250     -9.23485030
  H     14.23836215      6.58059801    -16.22360837
  H     10.09728015     10.59304895    -11.44085379
  O     11.73732430      8.19607608     -9.36421630
  H     15.51857546      5.19794556    -13.78560095
  H     11.16209284      9.68198329    -12.09208777
  O     15.15060810     12.93724391    -11.77064666
  H     15.79243061      6.65232160    -14.23386372
  H     12.16640267      7.35400787    -12.23474248
  O     14.89709964      9.41843092    -12.00354391
  H     14.38619300      9.72418241    -13.62057787
  H     12.03647595      7.08105890    -10.70891061
  O     18.08736542      8.83821246    -15.76041925
  H     14.30232044     10.86512139    -14.64781903
  H     11.24586436      5.69403703    -14.35733049
  O     11.87079981      4.36796538    -12.94080260
  H     13.42391109      4.01512869    -13.82667947
  H     11.99048825      6.33853450    -15.53218072
  O     18.34434091      7.58935848    -13.17369342
  H     14.36816375      2.97316345    -14.46585116
  H     17.71956471     11.37430511    -10.86286077
  O     10.94359296     10.18109792    -11.28638508
  H     14.15070885      9.70362948     -7.29702567
  H     18.47401192     12.65202164    -10.46727631
  O     12.28017037      6.67610026    -11.55468061
  H     14.86991231      9.12397857     -8.53474294
  H     14.94417907      8.59834145    -15.30422858
  O     11.24850728      6.47219286    -14.92220238
  H     15.93061344      7.66272110     -9.77536412
  H     16.35926450      8.15585152    -15.77255285
  O     17.59672418     12.29372057    -10.58030516
  H     16.92589842      8.83173611     -9.80697864
  H     15.14519081     12.71492403    -13.47437712
  O     15.46829964      7.83544280    -15.58449007
  H     12.49403092      8.57521325     -8.90088681
  H     15.08658420     13.35081977    -14.88372880
  O     15.19280473     12.52001119    -14.42877857
  H     11.35533011      8.91155904     -9.88889795
  H     16.63742767      9.67585132    -11.76515277
  O     17.59352057      9.71969560    -11.60592815
  H     16.00113591     12.82276038    -11.32418246
  H     17.98214306      8.96019913    -12.06494537
          69
 Energy    -248.04044784060213     
  O     10.03303157      6.30179039    -13.04238926
  H     10.38800089      7.17276547    -13.25400220
  H     16.02797389      5.36513300    -14.16094370
  O     13.06629222      5.49591077     -8.05389418
  H     10.52653348      5.67246039    -13.58230731
  H     13.40351838      4.99918876    -11.90844226
  O     16.97789175      7.96508206    -12.57991134
  H     13.29784319      5.34728885     -7.13986835
  H     14.41363222      5.95099719    -12.58750716
  O     17.24180250      3.97023472    -14.03922376
  H     13.84504043      5.88815045     -8.47811183
  H      9.64204103      5.80269287    -11.42347598
  O     12.80356917     11.04987575    -14.17664166
  H     16.38132487      8.31390757    -11.90371700
  H      8.53190040      5.32616260    -10.45959738
  O     11.03481622      7.31149027     -8.98962940
  H     17.07337919      8.65192632    -13.25374739
  H     17.45838028     10.30427851    -15.20388639
  O     13.13008058      6.90770469    -15.19433819
  H     17.75229816      4.49673332    -13.39640544
  H     16.04977578      9.67853158    -15.06879732
  O     15.54414691      2.89187752    -11.99623181
  H     17.86909222      3.58648721    -14.64537099
  H     11.98240909      8.00606769    -10.33792045
  O     15.20470200     11.14017098    -12.55307820
  H     12.27691470     10.26322571    -13.95556533
  H     12.89871717      7.31684860    -11.39152537
  O     16.94583643      4.41303399     -9.92566539
  H     12.18345707     11.74961689    -14.36538498
  H     18.01525934      6.43625626    -12.22244251
  O     15.19215217      6.50528524     -9.55526886
  H     10.40521335      6.73395546     -9.44169350
  H     17.98424622      5.17637843    -11.32355817
  O     15.48397052      6.15077024    -14.02893979
  H     11.66195047      6.72424740     -8.55060214
  H     15.24294690      9.89353842    -11.22493877
  O     13.83214809      5.85787522    -11.82199724
  H     12.59985689      6.10531530    -15.12154832
  H     14.22474619      8.82429589    -10.80722099
  O      9.46784120      5.49985537    -10.51474039
  H     14.00456331      6.66409011    -14.85306928
  H     13.89076564     10.02934369    -15.34946966
  O     16.86007452      9.90516931    -14.57819984
  H     16.09706021      3.11638562    -12.75469455
  H     14.00050664      8.55206779    -15.77699688
  O     12.55038001      8.17430788    -11.10249614
  H     15.96879922      3.31386430    -11.24077554
  H     12.16291805      4.27922284     -9.27955222
  O     18.36043536      5.53707909    -12.13631713
  H     14.36022275     11.18990100    -13.01768358
  H     10.87456075      4.31582797    -10.12302700
  O     15.15970152      9.06528137    -10.72993929
  H     15.84760838     10.87569936    -13.22172940
  H     12.14340869      8.06588716    -14.15749060
  O     14.47543266      9.39108008    -15.77930439
  H     16.38434580      5.17004980     -9.69353781
  H     11.91076768      8.56120390    -12.69215869
  O     11.67704344      3.80207335     -9.96130884
  H     17.30379729      4.07412831     -9.10844313
  H     12.10127989      4.03739722    -13.81203290
  O     11.60326185      8.65343227    -13.60866056
  H     15.34050521      7.44701064     -9.70439765
  H     11.33893160      3.85531122    -15.14192523
  O     11.68313962      4.51760500    -14.54735184
  H     14.72438454      6.19407384    -10.34935336
  H     12.39945623      3.31334568    -11.50977853
  O     12.84083958      3.31046895    -12.37374127
  H     16.03380668      6.81151486    -13.58415045
  H     13.76087243      3.03204463    -12.24971287
          69
 Energy    -248.04026232584280     
  O     -6.18639777      1.88410713      0.71971429
  H     -6.45175148      2.01603645      1.63794473
  H     -4.00514012     -1.02323752      4.05867556
  O     -4.72463351      2.60736849     -3.39544167
  H     -5.95735759      0.94676072      0.63352636
  H      0.73666045      2.22705028      2.92464733
  O     -6.48708288      2.07375470      3.50621599
  H     -3.93740426      2.89876048     -2.90642060
  H      0.80172434      0.70606935      3.17960027
  O     -1.40784360     -2.07715092      2.39433790
  H     -4.74246770      3.11647932     -4.20276525
  H     -0.40778052      4.29390854      0.47922579
  O     -2.95771622     -1.33739791      0.15876253
  H     -5.64292010      2.55872274      3.55377008
  H     -1.89110274      4.66058697      0.61692645
  O     -4.55586891     -0.26115530     -3.37316570
  H     -7.08605703      2.49910173      4.11322508
  H     -4.69884718      2.87101081      0.51596074
  O     -5.65856291     -0.84055629      0.48340782
  H     -1.98413281     -1.85871647      3.13691852
  H     -3.49815950      3.32404074     -0.37540405
  O     -2.27487802     -1.42620676     -2.56426983
  H     -1.95169043     -1.99372680      1.60012878
  H     -0.58874715      0.98375251      0.49318052
  O     -2.50435143      3.25701016     -1.93465428
  H     -2.70855586     -0.44926292      0.45959135
  H      0.69739730      0.16802624      0.74824671
  O      1.03803730     -0.94062847      2.20749493
  H     -2.66923220     -1.42641503     -0.75791813
  H      1.90477610      3.56470463      1.05706177
  O     -0.93148067      1.06268518     -2.30661851
  H     -5.38715016     -0.53691784     -2.96848154
  H      0.86549630      2.45102570      0.79122224
  O     -3.13962440     -1.19814212      4.47123612
  H     -4.59200497      0.70047520     -3.44014231
  H     -7.13602107      0.15597060     -2.01455804
  O      0.54734928      1.54683539      3.58121992
  H     -6.14152860     -0.98684020     -0.33852879
  H     -7.80611859     -1.20483823     -2.32790915
  O     -1.14641096      4.70615242      0.01281246
  H     -4.73700307     -1.09506919      0.32981442
  H     -1.19779881      1.45370169      3.94924050
  O     -3.84032634      3.32014166      0.52869787
  H     -3.10104258     -1.03555098     -2.90432904
  H     -2.42289786      0.50895044      4.23480299
  O      0.32556796      0.86023900      0.18797080
  H     -2.04366971     -2.14059316     -3.15145484
  H     -5.88390512      0.26521165      3.44806385
  O      1.01472572      3.28743416      1.26411250
  H     -1.95909111      2.47390468     -2.11296616
  H     -5.63686000     -0.80638757      2.36391680
  O     -6.99806555     -0.80910820     -2.01297060
  H     -1.94606237      3.87412066     -1.44264466
  H     -2.77369592      1.88088577      0.87983989
  O     -2.16359729      1.38219789      3.91684865
  H      0.17521621     -1.38552607      2.29387540
  H     -2.20010057      1.14280673      2.11515456
  O     -5.49884920     -0.60666826      3.29863314
  H      1.70402973     -1.59944208      2.38294262
  H     -6.33007033      2.24744480     -2.42500734
  O     -2.23449560      1.12851491      1.14921948
  H     -0.34317760      0.95966682     -1.54712534
  H     -6.87754980      2.04796027     -0.99197159
  O     -7.07896467      1.89761386     -1.92635177
  H     -1.32443447      0.19482571     -2.45710716
  H     -3.39061178      2.71137601      3.66912034
  O     -4.09137468      3.31807665      3.38810393
  H     -3.31335375     -1.65607828      5.28921913
  H     -3.94660957      3.48320910      2.44883783
          69
 Energy    -248.04020303085849     
  O      0.08608413      0.31706037      0.34967516
  H     -0.82491857      0.43115018      0.09184041
  H      7.53320321     -0.23037678      1.43105177
  O      5.56493373     -1.26474660     -0.90161611
  H      0.42541144     -0.44934170     -0.14616718
  H      7.08230482      2.79551868      3.06466460
  O      4.92577463     -0.18547825      3.62283187
  H      5.55892997     -2.16615856     -0.55592519
  H      6.34932357      2.70656315      4.41729025
  O      4.78581969     -1.86345362      7.18049294
  H      6.29707757     -0.78327693     -0.48028496
  H      1.57442260      1.32041731     -0.21080443
  O      7.57213512     -0.85899661      3.18417350
  H      4.53218495     -0.13904636      2.74084748
  H      2.76654722      1.09553141     -1.18108193
  O      3.43073144     -0.29051775     -2.32305418
  H      4.66479335     -1.02842808      4.01594419
  H      3.28241550     -2.64674309      4.45882696
  O      1.10196154      0.37811348      3.03213873
  H      4.84920754     -2.12584058      8.09450802
  H      4.37035301     -2.46920568      5.58045692
  O      6.58554851      2.82823718      1.22874408
  H      5.29825092     -1.04050511      7.10350819
  H      5.57716953     -3.23466091      3.49068735
  O      5.31130901     -3.79522580      0.36001765
  H      6.65855507     -0.56633160      3.33112193
  H      6.86895024     -2.58430858      2.94817297
  O      2.29365842      2.73474224      3.73124145
  H      8.08817304     -0.43273892      3.87750304
  H      1.97648619     -1.31040610     -1.55889097
  O      3.88829057     -0.26056982      1.10729443
  H      3.63502978     -0.21189424     -3.25154242
  H      1.73207831     -2.23331415     -0.34734970
  O      7.29703070      0.15745470      0.57809829
  H      4.22802538     -0.64440691     -1.89267722
  H      3.37940507      3.07720528      2.21190883
  O      7.22794016      2.77193607      4.01731090
  H      0.70700024      0.33069321      2.15292749
  H      3.36436099      2.79982860      0.69113226
  O      2.45798823      1.63573381     -0.44199597
  H      1.27911179     -0.52986537      3.30109657
  H      3.87941527      2.45541192      4.78383922
  O      4.22738333     -2.67718610      4.64336320
  H      5.62273127      2.94904130      1.30508178
  H      4.82613071      1.26827358      4.58190375
  O      6.26260839     -3.32444118      2.81455671
  H      6.91353738      3.58303343      0.74547209
  H      1.96415116     -2.67022005      2.68465590
  O      1.28046998     -1.69982288     -1.01522138
  H      5.62452605     -4.64481949      0.06263103
  H      0.86012989     -3.02522930      3.70714515
  O      3.90035375      3.16847144      1.40512430
  H      5.69790703     -3.64788392      1.24406111
  H      8.16822389      1.53818985      4.79950725
  O      4.72370078      2.09938290      5.07721167
  H      1.88297269      1.87618498      3.52867529
  H      9.41850378      1.08029484      5.58651503
  O      1.59856482     -2.43967262      3.55571374
  H      1.58887214      3.31008106      4.01811101
  H      3.10436626     -1.85247736      1.15188604
  O      8.57977043      0.77728113      5.24999238
  H      3.40015586      0.47612827      0.72457851
  H      3.56056253     -3.29468936      0.85630687
  O      2.78953089     -2.77046566      1.10369636
  H      4.57958329     -0.50780671      0.47883073
  H      5.63600850      1.12924994      6.42992960
  O      6.18879750      0.46676977      6.86535518
  H      7.07728545      1.08001828      0.75885779
  H      7.03866322      0.49460801      6.41086233
          69
 Energy    -248.03997077409969     
  O     12.27720835     11.75218369    -11.92890279
  H     12.59044272     11.60414087    -11.02317312
  H     13.51371989      8.07746331    -13.12101251
  O     14.10013045      8.10752007    -17.03749521
  H     12.72533542     12.53641364    -12.26859342
  H     15.54823128      8.03834970    -10.52113418
  O     10.61196693      9.69197250    -15.25813264
  H     14.11140918      7.76571031    -17.92726347
  H     16.54053025      8.81967490    -11.39926466
  O      8.69339198     10.71206410    -10.32717392
  H     13.35514401      7.67880432    -16.57938662
  H     10.91011899      7.57451095     -9.47477225
  O     13.91001181     13.81659724    -12.86178447
  H     10.03204820     10.06279535    -15.91931819
  H      9.71667471      7.25443607     -8.54828574
  O     16.32650685      8.39127186    -15.27572948
  H     11.49944137     10.04594290    -15.43681544
  H     14.74582169     12.20738624    -10.14965666
  O     14.93800582     12.60238215    -15.06011319
  H      8.08103200     11.38652783    -10.61191735
  H     14.94712358     13.10769071    -11.38984287
  O     16.47655860     10.47524434    -12.14257497
  H      9.15186824     10.41482173    -11.12820443
  H     11.36909871      7.88740649    -15.48898428
  O     13.08100659      7.43871139     -7.23123412
  H     14.30687631     13.42430846    -13.65967919
  H     12.39868660      7.02731819    -14.72952232
  O     13.24601820     10.42476349    -15.67645794
  H     13.83353697     14.75279353    -13.02447022
  H     13.20267812      8.26079843    -10.18998811
  O     13.92053364      9.81256567    -13.07617739
  H     16.26629419      7.69459609    -14.61085617
  H     13.80846392      8.07978070     -8.77344718
  O     13.31821338      7.12670878    -13.15172014
  H     15.61426844      8.23006094    -15.90583569
  H     12.11629078      7.36910430    -11.79190657
  O     16.31913025      7.92861374    -11.09354559
  H     14.29931964     11.98120416    -15.43249286
  H     11.11770090      8.52933609    -11.54567950
  O     10.61605432      7.57261595     -8.54800524
  H     15.76966287     12.11458738    -15.00793048
  H     16.51981315      5.57562776    -13.16946472
  O     15.41864358     12.57609555    -10.73726154
  H     16.22422188     11.25810015    -11.63021580
  H     16.17846760      6.89983455    -12.44311438
  O     11.99762574      7.16539287    -15.60038036
  H     16.85970770     10.75700947    -12.98065511
  H     10.95097911     10.65345803    -12.27325707
  O     13.97701164      8.45786148     -9.64838448
  H     13.02905795      7.86955212     -6.38043830
  H     10.31706165      9.80354853    -13.40717419
  O     11.59125755      7.80835334    -11.10909929
  H     12.17166802      7.39802101     -7.56561212
  H     10.76918627      9.52840024     -8.36089640
  O     16.02012473      6.38239855    -13.25565294
  H     13.58657509      9.74127032    -16.26708557
  H     10.04091957     10.68295754     -9.04630040
  O     10.32335159      9.93433691    -12.45228423
  H     13.55731376     10.19721131    -14.78481661
  H     16.92322730     10.00617287    -15.01159629
  O     10.80136763     10.48331374     -8.48302380
  H     13.34634166     10.45890601    -12.64657721
  H     18.09087283     11.00321135    -15.20053189
  O     17.21949398     10.91540872    -14.82343769
  H     14.81850683      9.97664485    -12.75992630
  H     13.67201388     10.27913801     -9.49550859
  O     13.28678502     11.16484945     -9.44596409
  H     14.17627878      6.68713639    -13.17752072
  H     12.43196021     11.05249710     -9.00278886
          69
 Energy    -248.03996177482168     
  O     12.53371493      2.50989921    -17.57347352
  H     12.34621899      3.30210563    -18.09383079
  H     11.66497857      0.50974316    -19.82865723
  O     16.17705138      4.46147438    -18.25917493
  H     11.73525980      2.28149860    -17.08088527
  H     18.13411806      2.08446048    -20.12754163
  O     12.09345210      4.79959533    -19.03734183
  H     15.61840673      4.73778678    -18.99666372
  H     16.59332047      2.02437005    -19.99875367
  O     14.97939388      1.84350983    -20.67608142
  H     16.76599457      3.79271900    -18.63067257
  H     15.36667795     -0.28259858    -16.93514751
  O     13.83212441      0.98144913    -14.72562129
  H     12.94231770      4.89266605    -19.48818521
  H     14.96099760     -1.74477464    -16.62949474
  O     10.58622810      3.85978753    -22.60601655
  H     12.01230608      5.43861052    -18.31800168
  H      9.28022875      4.04539006    -18.14770978
  O     14.41742559      4.60689240    -20.48584079
  H     14.43650117      1.26830066    -20.12099369
  H      9.87720812      4.97393154    -17.06060313
  O     10.18341576      1.91763485    -16.18061668
  H     14.61139749      1.81913411    -21.57195258
  H     16.06830367      1.78646833    -16.73809289
  O     11.03034705      1.05553723    -22.85242440
  H     13.97186995      0.26649764    -15.35692834
  H     16.94284495      1.31468732    -17.90996235
  O      9.87319829      3.47097289    -19.89272669
  H     14.33787572      1.73104403    -15.06474168
  H     15.33528566      3.75207759    -16.84641219
  O     13.31327044      0.36406470    -19.01230776
  H     10.18694725      3.86884088    -21.72690108
  H     14.02938673      2.91927082    -16.69600795
  O     10.77725084      0.72190607    -20.14682873
  H     10.65276539      2.92531188    -22.84010577
  H     11.47294260      2.05559071    -12.87101934
  O     17.41787241      2.18273861    -19.50614266
  H     14.04113283      4.81561449    -21.35096686
  H     12.39007503      1.70871853    -14.06886952
  O     14.60515864     -0.88097631    -16.82097461
  H     14.59966254      3.65580385    -20.49787717
  H     13.58864116      4.30144322    -15.21884347
  O      9.24848450      4.25743248    -17.20474213
  H      9.76815926      2.75729420    -16.43740532
  H     12.32080394      3.92544853    -14.43006712
  O     16.51609913      1.01189419    -17.09912536
  H     10.53776167      2.00987921    -15.28861927
  H     13.56722014      2.97729330    -23.17800023
  O     14.83458526      3.19736542    -16.22900288
  H     10.89957144      0.88366414    -21.90412456
  H     12.83613194      1.62520129    -23.07050853
  O     11.62077359      2.24022313    -13.79469917
  H     10.58237705      0.35652001    -23.32172667
  H      9.52867153      0.66479492    -17.29749514
  O     12.76358305      4.66069102    -14.87051222
  H     10.66575360      3.98437914    -19.66532885
  H      8.28643737     -0.09128722    -17.79249833
  O     13.71347723      2.02817290    -23.08232657
  H     10.14849825      2.54637393    -19.93153252
  H     12.16657992      4.57451479    -22.81828755
  O      9.20205413      0.07898038    -17.99938650
  H     13.03893550      1.14565532    -18.50377795
  H     13.08896706      5.48354368    -23.66272877
  O     13.09244603      4.84493527    -22.95471530
  H     13.69974382     -0.23698538    -18.36570015
  H     11.89869710      5.65521892    -16.01976065
  O     11.43162955      6.15604100    -16.71159948
  H     10.16237139      0.40774801    -19.46775416
  H     11.34405490      7.04965597    -16.39113674
          69
 Energy    -248.03987632727350     
  O     14.09323558      9.36593435    -15.88063371
  H     14.34704901      9.32108189    -16.81050460
  H     17.33689627      9.17929746    -16.19983490
  O     18.08687800      6.28461953    -11.84208649
  H     14.87963003      9.67584902    -15.41940633
  H     16.99900643      7.03732416    -16.09969056
  O     19.12680037      6.53751098    -17.82465616
  H     18.91989089      6.43416865    -12.30999532
  H     17.27678400      5.59640158    -15.54071026
  O     17.22147536      4.95641458    -19.24435075
  H     17.43527923      6.88538831    -12.23041456
  H     12.92423500      7.03788488    -14.01526229
  O     14.06502309      5.72928959     -9.64933567
  H     18.51045813      6.01480845    -18.35315754
  H     13.16054900      7.91311116    -15.26753549
  O     14.55065351      4.12989429    -13.48050883
  H     18.67885896      7.36908663    -17.62029738
  H     16.75612355      1.65181668    -10.00879622
  O     16.15688453      7.73923287    -13.18955693
  H     16.88177449      4.30401380    -18.60543329
  H     15.67695730      2.62079182    -10.55126614
  O     18.12801373      3.94305519    -15.42315386
  H     17.35697450      4.49056485    -20.06574080
  H     13.60760569      5.76264252    -15.81004370
  O     14.03462071      3.12900069    -10.88645242
  H     13.75413728      6.01352621     -8.79419385
  H     15.13686223      5.60522361    -15.95403593
  O     16.19541351      3.34217211    -17.32996051
  H     15.03107852      5.62690523     -9.57821312
  H     20.42298566      6.23830304    -14.26356169
  O     20.54333384      5.33269501    -15.87676340
  H     14.39911763      4.30250922    -14.41606001
  H     21.01067691      7.36210969    -13.40135704
  O     17.46925208      8.62397798    -16.97894323
  H     15.50345929      4.02669881    -13.34960543
  H     17.57710855      4.67282311    -12.47893040
  O     16.68269283      6.35547252    -15.49416633
  H     15.30233612      7.45892174    -12.83516934
  H     17.16490756      3.23782713    -12.05740510
  O     12.77794968      7.07514074    -14.96703153
  H     16.31636398      7.21287628    -13.98954128
  H     17.29713172      5.68550044    -10.25497584
  O     16.63635468      2.49610815    -10.43411706
  H     19.03384538      4.26183862    -15.50597259
  H     16.83354636      4.30612261     -9.74370113
  O     14.29379213      5.16378663    -16.14734237
  H     17.93876738      3.78556936    -14.48630670
  H     14.47855757      5.94058940    -17.93474361
  O     20.32848753      6.69417254    -13.41509040
  H     13.87955601      3.95822301    -10.41693607
  H     15.62015886      5.93044300    -18.97549217
  O     17.28498320      3.81523591    -12.82116069
  H     14.02789668      3.35313648    -11.82699014
  H     14.03472437      5.71777724    -12.72604825
  O     16.74543292      5.25438888     -9.58852951
  H     16.87927686      3.39919378    -16.64610598
  H     13.78766919      6.41235221    -11.37124573
  O     14.81793790      6.39838118    -18.71222620
  H     15.40571345      3.75441291    -16.96029267
  H     16.50617267      9.26535720    -14.00715233
  O     13.81643418      6.57129759    -12.32223590
  H     20.08038484      5.79580989    -16.59927656
  H     16.84165076     10.77138357    -14.11081546
  O     16.66242901      9.99372640    -14.63276891
  H     21.33893737      4.96323762    -16.25080174
  H     14.88327173      9.50158247    -19.31033739
  O     15.16689451      9.05499754    -18.51769409
  H     16.73898141      8.82314486    -17.58108701
  H     14.97562067      8.10738865    -18.64193990
          69
 Energy    -248.03986632310068     
  O     14.08046406      6.15487621    -17.58588665
  H     13.68977122      7.03874882    -17.52095990
  H     14.89341654      6.57188485    -11.27726125
  O     13.79629508      5.53065522    -12.25105274
  H     13.92960817      5.86096810    -18.48270122
  H     14.37809456      7.85917951    -14.33089904
  O     17.76803917      5.66373827    -10.90091423
  H     12.92641120      5.22097372    -11.97181617
  H     13.41635765      8.53714420    -13.30874324
  O     12.99376849      4.17974870    -15.72527944
  H     13.64433021      6.28325327    -12.84597006
  H     14.75019351     10.82808414    -15.23200566
  O     10.50912155      9.26050454    -12.92483535
  H     18.37187316      6.26793583    -11.34923224
  H     15.25574190      9.52780045    -15.83089748
  O     12.92299607      8.74105940    -17.46304644
  H     16.97109111      6.17706462    -10.71414476
  H     10.92545865      5.01236697    -12.69306862
  O     19.28411663      7.38605469    -12.65325479
  H     13.31367468      4.84738865    -16.34210077
  H     10.59382741      4.20311289    -11.41598037
  O     11.23392867      7.83044187    -15.29658564
  H     13.74916423      3.94157415    -15.17398597
  H     10.79994559      8.14688156    -11.49582142
  O     17.65409241      3.51293423    -12.56521228
  H     10.57079498      8.84495326    -13.79390875
  H     11.07640230      6.69019906    -11.04494901
  O     18.71760881      5.41188581    -14.42212483
  H     11.33611194      9.74595880    -12.80682206
  H     14.74357033      4.48986189    -13.34524882
  O     16.37021394      5.53986388    -15.99987958
  H     12.61656829      9.24727479    -18.21166088
  H     16.04658083      3.67577122    -13.51749729
  O     15.42612772      7.24062161    -10.82123576
  H     13.48548567      9.34067881    -16.94203660
  H     11.49724889      4.74919381    -14.86332318
  O     13.56417139      7.73452536    -13.82830692
  H     20.22065945      7.56393896    -12.65365921
  H     10.73016300      6.08146351    -14.76100784
  O     14.65653196     10.27095560    -16.00784945
  H     19.12462261      6.71928697    -13.34586716
  H     12.54617361      8.34924175    -10.10530010
  O     11.11655950      4.93090368    -11.73968268
  H     12.02977689      7.70843905    -14.75346623
  H     13.14519737      9.19684498     -8.95677298
  O     11.16169769      7.61091994    -10.77464079
  H     11.56719087      8.17558174    -16.12976695
  H     16.26860523      7.22156786    -15.37880142
  O     15.26613336      3.98894655    -13.98979366
  H     18.02828856      2.74287684    -12.14575065
  H     16.45636970      8.28326256    -14.23656480
  O     10.77888171      5.19295497    -14.38871380
  H     17.65807420      4.22533575    -11.90108927
  H     13.96760920     10.58710646    -12.60243724
  O     13.34203728      8.83672262     -9.81697516
  H     18.45250470      4.66844996    -13.86513582
  H     13.30079132      9.78295216    -11.44054760
  O     16.03814648      8.11308960    -15.09006475
  H     18.05469567      5.46319805    -15.12177574
  H     16.12211948     10.42546822    -13.00577002
  O     13.18786798     10.07515469    -12.35480184
  H     15.97263248      4.97560412    -15.31820038
  H     16.10332779     11.96575639    -13.07947692
  O     15.57954886     11.18937081    -13.26235043
  H     15.68202122      5.70666703    -16.65511190
  H     17.80461235      8.46266283    -12.55110454
  O     16.91860221      8.84819965    -12.55128682
  H     14.79723489      7.79730878    -10.34622986
  H     16.37759763      8.31999596    -11.94625332
          69
 Energy    -248.03969419243094     
  O     12.11154444     12.76296657    -12.63654047
  H     11.75078558     11.93882297    -12.29046221
  H     12.55375256      7.91988049    -14.32112277
  O     17.54645721     11.09545854    -11.94504426
  H     12.63644824     13.14724903    -11.92250716
  H     15.90283104     10.78616573    -12.59585459
  O     12.28131552      7.82556116    -12.59460110
  H     18.13277418     10.97325262    -12.70410967
  H     14.65496359     11.14921647    -13.47944251
  O     14.87172820      6.95521613    -11.53768456
  H     17.66288894     10.31523438    -11.38885625
  H     13.56422335      9.49387550    -16.12022941
  O     17.55934341      5.97034914    -11.40561741
  H     11.96059026      8.62054039    -12.15156533
  H     13.92807659     10.98496955    -15.91614102
  O     13.90255276     12.30928040    -14.66062740
  H     13.00672865      7.47378026    -12.06559181
  H     15.21233592      8.16340231    -10.11983086
  O     17.74388714      8.41262275    -15.29325570
  H     15.03200540      7.33653000    -12.41421527
  H     14.95430283      9.58083001     -9.58378584
  O     18.01918169      8.65528890    -10.54081289
  H     15.66072586      6.42493510    -11.37497121
  H     19.62547767      8.83400438    -11.37197602
  O     16.65777436     10.09097121    -17.28135238
  H     18.06859661      6.13285286    -12.21897787
  H     21.16795525      8.89281781    -11.41594316
  O     19.12585345      6.72903170    -13.49469436
  H     17.93328449      5.19073664    -11.00257398
  H     16.73273831     13.40202889    -15.01348643
  O     17.74656263     12.16664578    -15.65631937
  H     14.56251494     13.01286600    -14.67911135
  H     16.26974391     14.87653136    -15.08961559
  O     12.83674490      7.94156297    -15.25297703
  H     13.20156599     12.55657329    -14.03872133
  H     16.26323458     13.84458569    -12.77028770
  O     15.00861990     10.51286167    -12.84434549
  H     17.47726748      8.88805676    -16.08936003
  H     16.81965199     12.82677995    -11.75066478
  O     14.07878248     10.22008093    -16.48962109
  H     16.92012119      8.23294665    -14.81333485
  H     13.86092792     14.43318928     -9.98417805
  O     15.53267676      8.81529046     -9.48069947
  H     17.22501058      8.82028428    -10.00841519
  H     14.76769632     13.70492259    -11.00427043
  O     20.39244166      8.83882748    -11.96886903
  H     17.90938932      7.74629891    -10.84924715
  H     18.73747499      9.69158750    -14.48183789
  O     16.11861801     14.05475635    -14.63032273
  H     15.71959841     10.11575461    -17.01838739
  H     19.81875294      9.95747690    -13.40800118
  O     16.28153221     13.62461757    -11.83025103
  H     16.67466905     10.08380945    -18.23456820
  H     10.72240718     10.20038173    -10.63980443
  O     13.89888181     13.67725432    -10.56325465
  H     18.71202680      7.19433960    -14.23375895
  H     12.23987214     10.42449464    -10.83588080
  O     19.23677123     10.39603046    -14.03979028
  H     19.71272067      7.36789167    -13.07278889
  H     14.25591444     10.71026636    -11.22490043
  O     11.40916939     10.22880662    -11.30229070
  H     17.37494316     11.51680033    -16.26585542
  H     13.90007251     11.85395173    -10.24383877
  O     13.87621324     10.89492922    -10.35022817
  H     18.40378702     11.69317180    -15.13170242
  H     15.21746675      8.96335682    -13.62277695
  O     15.34967520      8.08823055    -14.02280031
  H     12.33279253      7.26949004    -15.70424158
  H     14.57060188      7.91810505    -14.56600743
          69
 Energy    -248.03967286394308     
  O     13.27178938     10.79578574    -15.88943095
  H     13.31061853     10.90847025    -14.93153342
  H     15.90676991      5.25328666    -16.03946503
  O     14.56602776      5.18526457    -17.21652876
  H     12.67584289     10.05094246    -16.03772507
  H     14.99564047      7.85066366     -9.96037496
  O     13.44588989      6.16919269    -12.11522647
  H     14.29044840      5.99929055    -17.65674621
  H     14.69617194      6.68226574    -10.93028593
  O     17.41538114      5.17441789    -10.18487503
  H     13.81482755      4.88358580    -16.69339164
  H     14.85320907      7.98890824    -14.39541224
  O     12.66852196      4.07765379    -15.29438341
  H     12.50996391      6.27495752    -11.91849685
  H     13.79986704      8.90805308    -13.72027704
  O     13.81882276      7.66901462    -18.34239214
  H     13.63928466      6.79947324    -12.82991375
  H     14.78062251     10.00035376    -16.63260356
  O     14.17589767      9.44232735     -9.67665223
  H     16.69468461      5.81421251    -10.09599972
  H     15.95503524      9.02941718    -16.31809659
  O     19.31010932      6.56437360    -11.87647334
  H     18.14406525      5.65219220    -10.59797916
  H     10.74045611      6.72139578    -12.94286124
  O     12.11407941      8.14455337    -16.14049989
  H     12.39875666      3.19363019    -15.53521938
  H      9.99528687      6.49488927    -11.60685743
  O     16.77226916      3.09236941    -11.79153959
  H     13.36917627      3.97830313    -14.62956156
  H     10.92437060      9.95557592    -10.85828099
  O     18.52610027      4.57922754    -13.54674639
  H     13.75907926      7.90408052    -19.26415063
  H     11.35339225      8.61424347    -11.48426599
  O     16.41264209      5.30254594    -15.21485362
  H     14.45451147      8.28694076    -17.93608375
  H     14.23668505      4.74636778    -12.83680861
  O     15.38782145      7.07122017    -10.37764099
  H     14.73906818     10.01613661    -10.21102465
  H     15.32726372      3.63059603    -12.81065058
  O     13.95596918      8.00830606    -14.03740737
  H     13.31013740      9.44635268    -10.10179082
  H     11.43705059      5.45074135    -14.80501476
  O     15.42370392      9.39772763    -17.03430038
  H     19.08898920      5.87433674    -12.52821649
  H     11.13461597      6.90799755    -15.19592019
  O     10.73312142      6.95697575    -11.99610694
  H     20.26142995      6.60506341    -11.83208717
  H     16.64090407      7.07826362    -15.00234126
  O     11.68281157      9.47556684    -11.18546524
  H     12.77977157      8.03844496    -15.44283885
  H     16.88287637      8.17844326    -13.92366469
  O     14.66513079      4.05829145    -13.36788358
  H     12.56427332      7.94371117    -16.97090522
  H     12.83499523     10.30143540    -12.41554556
  O     10.88682996      6.20903396    -14.57451901
  H     16.95852213      2.26465389    -11.35655174
  H     14.32403867     10.73382057    -12.57615826
  O     16.59493430      8.03137669    -14.83319904
  H     16.97553762      3.79832317    -11.15132821
  H     16.43647438      9.96830364    -11.79919226
  O     13.50284166     10.57106520    -13.05873595
  H     17.93609028      4.82076455    -14.27394746
  H     16.51006481     11.48352110    -11.50735926
  O     15.90223758     10.75298630    -11.59307944
  H     18.03310666      3.94245221    -13.01592041
  H     18.00733559      7.85880274    -12.01637369
  O     17.18021177      8.35290830    -12.08506995
  H     15.84545338      4.90395778    -14.54177870
  H     16.53915130      7.88157438    -11.53232963
          69
 Energy    -248.03966641591421     
  O     12.36338626     11.38318085    -14.96418952
  H     12.65601688     10.63052450    -15.49828554
  H     14.66456876      5.69639598    -15.16642236
  O     15.10525858      6.23556056    -13.43696305
  H     11.79445797     11.02130616    -14.27562759
  H     17.02140024     10.89136290    -15.80900047
  O     16.91276426     10.25433730    -10.55208883
  H     16.00638182      5.96223116    -13.23298693
  H     15.83250311     11.88085426    -15.78064501
  O     17.85237319      9.69844922    -14.68941585
  H     15.15966661      7.16797880    -13.70670464
  H     16.13452284      9.12370454    -14.46553832
  O     11.90128580      6.85531704    -16.16801988
  H     17.01923534      9.29133356    -10.63946257
  H     14.64520976      8.97686590    -14.95579453
  O     14.69558601      9.46809305     -8.88168378
  H     16.25025993     10.53672498    -11.20023151
  H     11.51089792     10.08359502    -12.15750957
  O     13.25120840      6.96630133    -11.53532145
  H     18.27027199     10.06552056    -13.89631400
  H     10.04779207     10.49718206    -12.43448174
  O     14.98233603     10.90096649    -12.44584983
  H     18.28052622      8.85934637    -14.89134750
  H     17.39777059      6.96202041    -11.46915342
  O     16.64811704      7.10086687    -17.03657309
  H     11.10939039      6.53222739    -16.58876358
  H     16.38971500      7.10064403    -10.29613149
  O     14.80608604      6.76471298     -9.19826605
  H     11.67707520      7.01401795    -15.23291714
  H     11.89172235      7.16976148    -12.84672078
  O     18.70047430      7.06683486    -15.33460653
  H     13.97348765      9.69357851     -9.48169967
  H     11.07642740      8.35431597    -13.40468091
  O     14.48772712      5.64678395    -16.11576640
  H     15.49246349      9.85212471     -9.26964974
  H     18.30827643     10.62057494    -11.66353825
  O     16.39808317     11.37156338    -16.37251147
  H     13.65862934      6.77950681    -10.68064691
  H     19.62168743     11.31363935    -12.05565734
  O     15.24493781      8.84160182    -14.21034625
  H     13.88120842      6.64690590    -12.19872763
  H     18.35819087      5.04258381    -12.86794603
  O     10.83997283     10.17311756    -12.85589782
  H     15.05141552     10.12126268    -13.01931327
  H     18.18742622      6.27729983    -13.77769839
  O     17.11937833      7.53830402    -10.75006205
  H     14.92779360     11.65906594    -13.03831065
  H     15.59741632      9.81853287    -19.02258218
  O     11.33915764      7.44466780    -13.58903279
  H     16.30167324      7.89079651    -17.46437540
  H     15.85202383     10.22843041    -17.55109093
  O     18.94047560     10.73615828    -12.38999523
  H     15.88528946      6.55519175    -16.79235978
  H     13.59928592     10.21058929    -11.55643411
  O     17.85795408      5.84883592    -12.97200711
  H     14.78886691      6.29428805     -8.36934688
  H     13.03521062      8.78230025    -11.27407077
  O     15.51803415      9.51292428    -18.12325889
  H     14.77312250      7.71407105     -8.98112842
  H     14.49734949     13.69213102    -14.57818364
  O     12.89208421      9.72526522    -11.10423988
  H     17.96116985      7.04279138    -15.97253087
  H     13.78738555     12.32212258    -14.70931128
  O     14.64671787     12.75130577    -14.54005005
  H     19.49792204      6.90861215    -15.83271032
  H     14.03120474      9.24451520    -17.05779051
  O     13.42257274      9.19586933    -16.30978407
  H     13.57764885      5.94731174    -16.21871678
  H     12.90301888      8.38513874    -16.38250928
          69
 Energy    -248.03960151338754     
  O     11.83543791     11.07439291    -14.37902803
  H     12.54301581     11.71105364    -14.52346176
  H     16.36142871     12.08713932    -17.28667889
  O     15.82478056      6.73460944    -13.05958584
  H     12.00241369     10.34844038    -14.99968857
  H     15.02822825      9.74603697    -13.76983870
  O     17.90567716     10.51374932    -12.38515483
  H     16.74823192      6.94017492    -12.87716006
  H     14.12068959      9.00896489    -14.79122547
  O     12.07769287      6.35634340    -15.05535999
  H     15.47438602      7.51082325    -13.53455967
  H     11.34389751     10.41685580    -12.86986970
  O     15.67716867      9.95995995     -8.85030865
  H     18.13722146     10.60122239    -11.45299724
  H     10.25001880     10.31164383    -11.77967105
  O     14.16040806      7.21052769    -10.93550924
  H     16.97962278     10.79214890    -12.46074914
  H     18.43975775      7.52130917    -10.92612005
  O     15.28130450     11.22566662    -12.64919983
  H     11.98056950      6.64983295    -14.13101006
  H     18.43052651      8.56845460     -9.79790566
  O     16.40850271      6.87371057    -17.06783827
  H     11.33353475      5.78942802    -15.24009607
  H     12.56468848      7.12435179    -11.90632028
  O     15.93091008      7.10583507     -8.74938412
  H     15.68657477      9.01000924     -8.67636640
  H     11.50843994      8.15200921    -12.35953451
  O     14.79787178      5.56351337    -15.35025714
  H     14.92737818     10.11094203     -9.43969440
  H     18.27533283      9.68085647    -15.38929163
  O     18.59849080      7.81920934    -15.64020343
  H     14.74817795      6.97882566    -11.67088275
  H     18.14025364     10.68787340    -14.23257256
  O     15.98150672     11.63828298    -16.53482514
  H     14.66761084      7.07000466    -10.12761148
  H     18.20622083      8.72649806    -12.65287868
  O     14.93264906      8.93368153    -14.27873330
  H     14.65586439     10.87501520    -11.99844837
  H     18.56707461      7.69324699    -13.73871833
  O     11.11819176      9.99928008    -12.01860919
  H     14.82345172     11.84626256    -13.22679887
  H     18.66346267     11.02877546     -8.94555806
  O     18.29990727      7.62849119     -9.97653361
  H     15.81618655      6.39533540    -16.45966758
  H     17.31072137     10.37461714     -9.31402611
  O     11.82730880      7.25562486    -12.51679611
  H     16.43482557      6.36389080    -17.87398208
  H     15.19338869      9.99316470    -17.23595407
  O     18.08724151     10.60651160    -15.19387365
  H     16.06289529      6.49575952     -8.02891607
  H     15.36847186      8.47070901    -17.40269047
  O     18.40231966      7.78742204    -12.79337855
  H     16.79199420      7.20512191     -9.19425270
  H     12.73668461     10.05660026    -11.11986889
  O     18.23917415     10.47277869     -9.59316906
  H     15.17743598      5.78840286    -14.48829001
  H     13.85389389      9.01031222    -10.90064393
  O     14.78884704      9.20909039    -17.62609901
  H     13.85684068      5.76617793    -15.28617059
  H     14.75740311     12.34716743    -15.40597179
  O     13.65073151      9.95508067    -10.82760835
  H     17.81758439      7.48724747    -16.11074576
  H     14.14368438     13.67043101    -14.89710246
  O     14.14874766     12.72732103    -14.75154169
  H     19.36022379      7.52323894    -16.13383705
  H     13.26705657      9.00369001    -16.67169429
  O     12.60780332      8.97330598    -15.96282238
  H     16.72779796     11.27125725    -16.02728894
  H     12.39091367      8.05046303    -15.78260690
          69
 Energy    -248.03955350013911     
  O     11.08917066     11.71172982    -15.37060301
  H     11.08487198     12.50916152    -14.81892854
  H     16.83218558     13.99257115    -17.81434259
  O     14.50244199      9.31102965    -10.53869133
  H     11.19592074     12.01372930    -16.28110151
  H     12.62889215     13.51125978    -11.46744246
  O     18.62810309     13.19099000    -13.10212262
  H     13.71749984      9.34482220    -11.10256339
  H     13.67230013     14.66792042    -11.42030041
  O     12.19011546     11.97275836    -10.65844014
  H     14.53069179     10.14627738    -10.06190149
  H     11.91475897     14.79034868    -15.28826497
  O     12.40917443      9.75415570    -12.39482637
  H     18.38989432     12.70947446    -13.91715401
  H     12.31466552     14.32644609    -16.69564704
  O     13.59959106     10.56335211    -14.86663708
  H     19.57679588     13.28018830    -13.09984540
  H     15.42702475     12.24149536    -12.84844282
  O     15.18933540     15.05110822    -10.42634135
  H     13.05235763     12.03272102    -10.22293441
  H     14.11789015     13.09850731    -12.87999035
  O      9.85574268     10.02718283    -13.56683693
  H     12.25276711     11.22520606    -11.26926156
  H     17.34652784     11.00759557    -15.13848472
  O     15.17056608     14.64442134    -15.12970018
  H     12.91292048      9.92624379    -13.20024420
  H     17.44761179     12.29226745    -16.00348459
  O     14.25049045     11.63286379    -17.51324221
  H     11.48957793      9.67165329    -12.67728720
  H     11.56270214     12.84142776    -18.73926192
  O     10.97895775     14.00215645    -13.80645954
  H     12.71914950     10.88366877    -15.10478061
  H     12.72144416     12.39172954    -17.81419520
  O     16.45091132     13.38715246    -17.18380381
  H     14.02973783     11.28654476    -14.37705835
  H     17.24387783      8.13755804    -11.69462784
  O     13.01441184     14.23880061    -11.98012102
  H     15.75254388     15.12683018    -11.21770627
  H     15.92828667      8.92262272    -11.47650441
  O     12.56172967     14.93545853    -15.99009298
  H     15.34926266     15.83271240     -9.90381087
  H     16.42910565      9.22208485    -13.87079321
  O     14.69524039     12.53053192    -13.40732600
  H     10.20686805     10.57055784    -14.29281375
  H     15.33589950      9.70905363    -14.84233945
  O     17.85089473     11.82423828    -15.26415368
  H      9.17016403      9.47822066    -13.93904087
  H     17.50807650     12.14733041    -12.09537413
  O     11.84208681     12.81157374    -17.82864254
  H     15.06918691     13.86231523    -14.56673255
  H     16.91509396     10.71454797    -11.87229625
  O     16.72617451      8.86394233    -12.03150032
  H     14.28104826     14.87115574    -15.43980591
  H      9.54502087     11.57424100    -12.39076312
  O     16.28702867      9.57949567    -14.75619253
  H     14.20250349     11.14659436    -16.68338006
  H     10.35515722     12.31321799    -11.31444715
  O     16.76504841     11.65638850    -11.72246706
  H     15.04547564     12.17904992    -17.46616108
  H     16.16620992     15.23656240    -13.57059161
  O      9.63825193     12.42746981    -11.95083666
  H     11.72654122     14.24101377    -13.23911759
  H     17.37913220     14.60727090    -12.85835232
  O     16.64170405     15.21694074    -12.73077994
  H     10.33591404     13.59338571    -13.20939738
  H     14.92441948     13.18483793     -9.77822501
  O     14.84778057     12.22391863     -9.81356267
  H     16.03463086     13.92671124    -16.48903203
  H     15.56091809     11.96323984    -10.41623578
          69
 Energy    -248.03913043943365     
  O     -7.20628148     -3.20758410      5.93690325
  H     -6.30084741     -2.93241124      6.12130613
  H     -4.46210978      0.70834811      1.82472888
  O     -9.96579324     -2.15995935      2.65370177
  H     -7.75380534     -2.41864138      6.05639099
  H     -6.67183042     -1.10963595      3.13263387
  O     -8.04452193     -4.12272670      3.53845839
  H    -10.40878162     -1.74086771      3.40034825
  H     -6.41738970     -0.07638969      4.27568139
  O     -5.71312728      0.83735400      0.47080277
  H     -9.38867976     -2.84300554      3.01363251
  H     -4.27316224     -2.00409652      5.41722547
  O     -5.98461559      0.36553335      6.15370087
  H     -7.74191392     -3.86197768      4.42717733
  H     -3.88038810     -2.39364681      6.86444574
  O     -5.34919025      5.26327640      1.54569654
  H     -8.26702181     -5.04872250      3.58355807
  H     -1.09572780      2.89955699      1.63687602
  O     -8.57010005     -0.76988220      5.84140122
  H     -6.53577273      1.14326655      0.87497628
  H     -2.39596701      3.37777597      2.33033149
  O     -3.88595259     -1.78779899      3.75922700
  H     -5.90950051     -0.02154177      0.07791061
  H     -9.05133522      4.30263813      5.65416055
  O     -4.32014239      3.26261426      0.02536867
  H     -6.90834093      0.12924151      6.30929470
  H     -8.46266121      3.94092616      4.28224648
  O    -11.15720196     -0.63350708      4.79217140
  H     -5.46071972     -0.42519749      6.34174204
  H    -10.14891319      2.45072863      4.11290265
  O     -6.65944336     -1.70850563     -0.34668677
  H     -5.45202232      6.06411457      1.03899175
  H     -9.79818544      1.60166361      2.88564080
  O     -3.80390404      0.73652959      2.53310633
  H     -5.01989287      4.58123393      0.93291326
  H     -6.25343508     -2.42050834      1.32309344
  O     -7.02111543     -0.31965184      3.56449098
  H     -9.52281851     -0.72762754      5.69958446
  H     -6.74731715     -3.22646793      2.57472126
  O     -4.60177329     -2.06859997      6.33308198
  H     -8.18144156     -0.66444952      4.95929844
  H     -8.88782175      0.11791991      0.80849705
  O     -2.03513942      2.74586547      1.68234894
  H     -3.72460663     -0.92228751      3.36194584
  H     -9.42417777     -1.27940579      1.19672415
  O     -9.26655487      3.88843334      4.82213719
  H     -4.54452890     -2.21510356      3.19425056
  H     -3.85763213      3.78189268      3.97585461
  O    -10.42908750      1.67364230      3.60836527
  H     -3.46223384      3.07290762      0.42529962
  H     -3.99266914      4.84247578      2.86596790
  O     -6.07520320     -2.61130125      2.25241695
  H     -4.80450297      2.42677566      0.02355034
  H     -4.57684917      1.75582923      3.83692086
  O     -9.03005108     -0.77245843      0.46940988
  H    -10.96005041      0.22157992      4.36599096
  H     -5.28584033      1.77774852      5.22012089
  O     -3.34659590      4.38240129      3.41647448
  H    -12.08469152     -0.62394768      5.01043489
  H     -7.79110214      2.37624902      2.24416621
  O     -4.98916833      2.33851190      4.49163271
  H     -7.56347867     -1.41581577     -0.12214566
  H     -7.76206688      0.84497772      2.50290636
  O     -8.08005780      1.52651562      1.88473288
  H     -6.70374937     -2.11551518     -1.20713687
  H     -6.53531644      4.34732798      2.62116978
  O     -7.00651167      3.72970581      3.19354610
  H     -3.08707520      1.30767096      2.22945803
  H     -6.33618901      3.23976979      3.69281769
          69
 Energy    -248.03897745124723     
  O     12.62638632     11.77052518    -15.49851085
  H     13.26847443     11.27003478    -16.02574721
  H     12.32245152     12.03350362    -18.80626940
  O     11.49385791      7.04321433    -14.19088260
  H     12.71867828     12.69275458    -15.76251801
  H     17.30498882      9.02847885    -18.21476497
  O     13.21048840     10.65201150    -13.09904730
  H     11.21661640      7.09897315    -15.11329779
  H     16.71737279      7.77395734    -18.90629939
  O     10.35009359     10.27966927    -15.81306375
  H     11.08341071      7.79646223    -13.74723642
  H     13.97809941     10.95072935    -17.91073588
  O     11.01562030      7.81983912    -16.95645433
  H     12.95430189     11.10170448    -13.92068161
  H     14.03490794      9.49987213    -17.28331297
  O     17.01257646     10.14325075    -16.75439692
  H     14.06408490     11.03612071    -12.86795751
  H     15.87681853      8.75121052    -14.10461020
  O     13.76471787      7.71402816    -16.82102147
  H     11.12568471     10.86053098    -15.76671153
  H     16.85645205      9.53532151    -15.02077583
  O     15.67649144     13.51431121    -15.39005955
  H     10.18028937     10.03405139    -14.89687050
  H     14.75505742      6.90519522    -17.99358270
  O     14.04959240      8.11242439    -14.10232070
  H     10.75196172      8.67127691    -16.57680156
  H     15.28685512      5.61162203    -18.65527324
  O     16.08892456     10.01585414    -20.96710372
  H     10.94819488      7.91919477    -17.91464813
  H     13.20551977     15.15444308    -16.48300609
  O     13.78627172      8.46202534    -20.27244876
  H     17.39222195     11.01182799    -16.93379421
  H     14.21970793     14.03016373    -16.14920101
  O     13.20640630     12.42972159    -18.79898066
  H     16.05779065     10.25008834    -16.89253625
  H     15.99077216     11.66486421    -20.10467906
  O     17.29078996      8.53756799    -19.04758757
  H     13.97669671      7.84089239    -15.88602051
  H     14.93761485     12.55932545    -19.42708679
  O     14.31605654     10.41756389    -17.17970928
  H     12.80066366      7.68036341    -16.89007876
  H     10.67226386      8.15731127    -20.47118660
  O     16.61878093      9.36784833    -14.09775078
  H     15.74243989     12.91782384    -14.63584670
  H     12.08556550      8.48637986    -19.93752960
  O     15.27020740      6.56065048    -18.74469885
  H     16.36540786     13.26553485    -16.01932027
  H     16.94768258     12.72354765    -18.22187788
  O     13.36230092     14.21920608    -16.57473847
  H     13.24477432      7.57626000    -14.04112250
  H     18.28323282     13.31776593    -17.71456853
  O     15.88830937     12.46315816    -19.57150556
  H     13.80923349      8.97938624    -13.75026539
  H     11.52459065      9.93448502    -12.92165338
  O     11.14055198      8.47250646    -19.70248768
  H     16.53002124      9.89638013    -21.80429366
  H     10.17441923      9.69401109    -12.21593504
  O     17.52227326     12.81405603    -17.43929903
  H     16.58841308      9.49722896    -20.31021760
  H     16.40677165     12.00665380    -12.36631372
  O     10.64275350      9.54385351    -13.03382432
  H     14.45344275      9.08779069    -20.57667652
  H     16.17862625     10.90133564    -13.42234132
  O     15.83255686     11.74650155    -13.08224954
  H     14.27684249      7.73923849    -19.86167562
  H     10.43928479     10.89450260    -17.72359267
  O     10.80675787     11.07800107    -18.59466741
  H     13.20419543     13.11567332    -18.11884896
  H     10.86426153     10.22286878    -19.03996400
          69
 Energy    -248.03888428454013     
  O     16.49680625      7.53515142    -10.54108462
  H     16.64656515      6.81874453     -9.91039692
  H     11.35144303      7.73634092    -14.79831432
  O     11.23076597      8.97829605    -11.62875364
  H     15.55284480      7.73404856    -10.49877902
  H     14.27138922      5.46346547    -13.62802660
  O     12.56009029      3.79728863    -11.82020808
  H     11.33980468      8.87537408    -12.58556661
  H     15.20407205      4.21799445    -13.71652465
  O     13.26891074      5.46188202    -16.28893258
  H     10.62998932      8.27704891    -11.35142193
  H     13.34766469      7.60884148    -13.77768493
  O      9.89295087      6.59229121    -10.71078992
  H     12.54654918      4.56749254    -11.23329384
  H     14.91072872      7.54850304    -13.89976456
  O     16.80039028      5.28705064     -8.87242513
  H     13.16434738      3.99365190    -12.55238872
  H     16.40369998      9.41036459    -11.40667998
  O     16.97789901      3.85958950    -13.34100496
  H     13.62006706      4.98854003    -15.52354347
  H     14.92844792      9.74951126    -11.46659587
  O     14.82935478      7.48296451    -17.18083608
  H     12.34424959      5.64991546    -16.08598483
  H     13.64613336      1.31915700    -10.03072245
  O     14.09224672      4.47055878     -8.35943739
  H     10.75386063      6.32198998    -10.34681738
  H     13.44951323      2.66523156    -10.76376869
  O     10.63314651      6.15249444    -15.47620456
  H      9.26229556      6.52729800     -9.99791280
  H     13.96138183      7.82456985    -11.77746165
  O     13.53616668      9.75606302    -15.97949760
  H     17.51178017      5.13106555     -8.25639708
  H     12.86217350      8.62304298    -11.03289825
  O     11.82025531      8.42938780    -14.31796550
  H     16.81017638      4.54625325     -9.50604347
  H     10.98135556      4.43959875    -12.69950855
  O     14.29264420      4.51429384    -13.82987958
  H     17.24164386      4.78799967    -13.19665875
  H     10.02172376      5.57582624    -12.30846968
  O     14.15101188      7.21910639    -13.40397680
  H     17.64298490      3.46592794    -13.89894251
  H     12.96486548      5.45590726     -9.29958922
  O     15.78859082     10.04940094    -11.78393091
  H     14.26488896      6.74365954    -16.89122186
  H     12.93811500      6.71190547    -10.22459435
  O     14.01861129      2.19087839    -10.13467800
  H     15.01521611      7.33969661    -18.10478109
  H     15.78099677      2.77113183    -10.50365123
  O     13.74021844      8.22587246    -10.91977666
  H     14.09047100      3.61536460     -8.80709919
  H     16.75640051      3.36888806    -11.55024840
  O     10.29303767      5.01868197    -13.04850942
  H     14.99825849      4.79862844     -8.41748169
  H     16.20328392     11.57121922    -14.54759706
  O     12.44790706      5.91872888     -9.97540052
  H     10.48508845      5.71202714    -14.61967764
  H     15.77701269     10.55379754    -13.46631632
  O     16.62782333      3.22308026    -10.60507330
  H      9.83053092      6.04903685    -15.98035584
  H     17.26568673      7.02492007    -13.65751137
  O     15.78529099     10.72280356    -14.42474928
  H     13.95707337      9.05075991    -16.48723218
  H     17.21153253      6.83803392    -12.11680728
  O     17.54257301      6.44581711    -12.93531860
  H     14.23950759     10.18061650    -15.47350796
  H     16.31120928      8.99558202    -14.82391493
  O     16.38198459      8.03697766    -14.92405246
  H     12.29764658      8.98079072    -14.95647437
  H     15.97043469      7.80726342    -15.76803577
          69
 Energy    -248.03854656093418     
  O     10.96174098      8.85307021    -12.74784607
  H     10.05385793      8.60974325    -12.58947461
  H     12.73374176     12.41512009    -12.87313943
  O     16.76998566      8.04082223    -14.71843460
  H     11.50609594      8.08635395    -12.49109431
  H     15.17106573     10.68766938    -13.68045193
  O     15.65737119     12.47663893    -13.20968673
  H     16.62753929      8.02296166    -15.67161649
  H     14.76104282      9.57663213    -12.70801132
  O     13.60470666      7.06918073    -16.31017824
  H     16.12015386      8.66092197    -14.35297224
  H     13.30392010      6.76976236    -11.56650475
  O     17.34653781      6.46659748     -9.27635732
  H     16.23306729     12.62546328    -13.96865703
  H     12.80020771      6.18535937    -12.90413147
  O     15.97185445      5.81324523    -13.25586376
  H     14.78809966     12.86224976    -13.37809055
  H     18.17671403      8.11934466    -13.63639981
  O     14.68526687      9.67006887    -10.88034589
  H     13.14068614      7.84188234    -15.95703315
  H     18.91778478      7.23830507    -12.60602932
  O     17.71485621     12.21722339    -15.12982235
  H     14.38719243      7.41183214    -16.75596991
  H     13.09013469      4.40227542    -14.72746283
  O     18.42792791      5.65453646    -11.85688000
  H     17.69172091      7.34620652     -9.51543642
  H     13.52073364      5.83967439    -15.10862763
  O     15.81891917     10.90675019    -16.88661983
  H     17.62554275      6.29458451     -8.38141445
  H     16.50678633     11.76424832    -11.76211066
  O     15.98006608      8.26590495    -17.38648944
  H     16.24723295      6.54206905    -13.82988346
  H     17.85886368     11.07272721    -11.80200548
  O     12.97633270     13.12848485    -13.49182616
  H     15.16295502      5.45444368    -13.64063713
  H     19.18186073      9.85326411    -13.15094799
  O     14.93630191      9.75314460    -13.64149368
  H     14.84374246      8.72299199    -10.76034079
  H     20.08907967     11.06743923    -12.86730591
  O     12.54435301      6.74560370    -12.16081245
  H     15.53775277     10.12181275    -10.84958326
  H     18.46669137      8.57022927    -11.15496760
  O     18.87213062      8.13775462    -12.96122628
  H     18.25271018     11.70475821    -14.50679955
  H     17.84185015      9.69540319    -10.32171912
  O     13.48249571      5.19695677    -14.37672235
  H     18.30671993     12.83073037    -15.56043197
  H     12.92442854     10.95336271    -15.82648036
  O     17.09261369     11.20523566    -11.23050638
  H     17.61401982      5.50777666    -12.35908646
  H     13.16076983     12.35102642    -15.24680351
  O     19.22086628     10.82468837    -13.18220020
  H     18.14940076      5.75158792    -10.93897209
  H     15.72883811      6.68653075    -10.19170362
  O     18.25442296      8.82787008    -10.24758612
  H     14.96043589     11.28456056    -16.64271107
  H     15.39331681      6.55887051    -11.69165557
  O     13.34701290     11.80257594    -16.01689166
  H     16.48009083     11.33177814    -16.33172931
  H     11.83170332     10.38216369    -12.06867481
  O     15.06514629      6.91576435    -10.85338741
  H     16.33221039      8.12986884    -18.26151409
  H     13.14543334     10.67435710    -11.32225888
  O     12.40750748     11.10014342    -11.77773454
  H     15.89796443      9.22992192    -17.26326187
  H     13.39384006      9.44840489    -14.55384981
  O     12.56092294      9.30177399    -15.02918704
  H     12.42464623     13.87569695    -13.27794345
  H     11.88792180      9.16926939    -14.35158740
          69
 Energy    -248.03842238590727     
  O     12.51733184      3.75588564    -20.18733796
  H     11.87943214      4.12508166    -20.79211941
  H     12.63565033      5.03788401    -14.97892740
  O     12.84428601      5.45944424    -18.12742238
  H     12.59356388      4.38167574    -19.44373599
  H     13.75213141     -1.74037583    -19.25980312
  O     18.30454042      4.23117834    -15.16836210
  H     12.41388015      5.33704127    -17.27328968
  H     12.90146482     -0.63266307    -18.60367904
  O     14.49106870      2.82248618    -12.46893555
  H     13.77774557      5.61914770    -17.93014068
  H     16.20723119      1.77311061    -17.38029949
  O     14.06528989      5.18601857    -14.00130475
  H     18.50702186      3.89348975    -16.05258199
  H     16.20643711      0.91065239    -18.65604644
  O     18.59688310      3.17190614    -17.73333941
  H     17.93214297      3.48740207    -14.67643076
  H     14.39919864     -3.28764314    -16.11360768
  O     13.50607978      0.88322877    -14.07568557
  H     14.30055315      2.65440282    -11.55013118
  H     14.15164898     -2.13665113    -17.11761914
  O     15.17631388      0.82446601    -20.13416417
  H     14.05512421      2.11781454    -12.98262028
  H     12.64391381      1.54807431    -17.95784593
  O     16.57890848      6.26628675    -14.92042454
  H     14.91661027      5.56396734    -14.24977888
  H     12.54213130      2.04521788    -19.40951623
  O     15.23177094     -1.94953486    -20.50722854
  H     14.24391109      4.43427437    -13.42256444
  H     15.41786425      3.91792833    -16.79398372
  O     15.84807870     -0.17441646    -15.32523009
  H     18.13157344      2.33431976    -17.83269997
  H     15.80683036      2.93876678    -15.63336570
  O     11.84641828      4.88822352    -15.53052663
  H     18.21317258      3.76620050    -18.39039123
  H     12.22518085      3.12835563    -16.07359791
  O     13.22129158     -1.53478798    -18.48009968
  H     14.27281273      0.44503108    -14.46627339
  H     13.61979528      2.54505647    -16.38334815
  O     16.64201297      1.01227617    -17.79812940
  H     13.04351208      1.29467015    -14.81847794
  H     16.58466866      4.46934725    -19.98912944
  O     14.77967722     -2.48495842    -16.45940395
  H     15.20044825     -0.08686293    -20.44785564
  H     17.74019784      5.48137858    -20.17942891
  O     12.72574749      1.25931429    -18.87834551
  H     14.32478484      0.94891690    -19.68718040
  H     16.27606948     -2.20061369    -17.62783302
  O     15.33465468      3.01167913    -16.47201728
  H     17.00441905      7.02741997    -14.53569136
  H     17.04904538     -0.95585256    -18.09578407
  O     12.67857699      2.31376965    -16.32104436
  H     17.25480025      5.56548642    -14.98035538
  H     16.05325605      2.43734336    -13.40903439
  O     17.27096299      4.97800366    -19.51955702
  H     15.47835751     -2.59890221    -21.15964551
  H     16.55173758      1.31218057    -14.35546358
  O     16.86444948     -1.87425402    -18.32184177
  H     15.88954113     -2.00264141    -19.79070894
  H     15.94327127      6.00355691    -16.63945527
  O     16.71063687      2.22543918    -14.08418131
  H     16.12290947      0.21255474    -16.16719234
  H     16.21283708      5.53098264    -18.11517552
  O     15.53621123      5.63266176    -17.43273611
  H     15.49335223     -1.04358547    -15.55323833
  H     14.38527194      3.72295701    -20.60915228
  O     15.32659837      3.54119763    -20.71232009
  H     11.10872035      5.26941945    -15.06256948
  H     15.40519298      2.58012630    -20.64479679
          69
 Energy    -248.03840439459350     
  O     14.12952216      7.72359951     -7.88481729
  H     14.03878003      7.73637415     -6.93629494
  H     12.04585574      6.48889404    -15.16771578
  O     12.94417055      4.96867918    -15.38122629
  H     13.24900200      7.52812701     -8.25479861
  H     16.49421543      8.10998925    -12.83004074
  O     16.31080735      5.46192944    -14.35284337
  H     13.68136820      5.05368137    -15.99892608
  H     15.08393462      8.01047159    -13.44029247
  O     10.32251102      6.85790794    -12.47073989
  H     13.28071712      4.46538564    -14.63114436
  H     13.29042549      8.56216125    -12.41212032
  O     17.09738815      3.96414968     -9.74117368
  H     16.28752217      6.39742094    -14.12092938
  H     12.82882813      7.60513649    -13.56178425
  O     12.80722388      5.53130436    -11.37612546
  H     16.04909200      5.39082096    -15.27994217
  H     11.35223231      7.77437980     -9.61492126
  O     16.95515719      7.57089089    -11.13430420
  H     10.89592298      6.15652242    -12.14762176
  H     12.05481410      6.42025534     -9.83736038
  O     14.28819591     10.66622938    -14.02695939
  H     10.60066906      7.02196839    -13.38386517
  H     17.63319088      4.46887630    -13.59865779
  O     16.23537054      2.29266094    -11.70618220
  H     16.37644843      4.60153309     -9.63556196
  H     17.64990639      3.24462051    -12.67371079
  O     15.32837303      8.13998829    -16.44459545
  H     17.85129006      4.48423033    -10.04261332
  H     15.28752829      6.46498764    -16.87978371
  O     12.89443293      9.56683223    -16.09985466
  H     13.21695468      4.82661337    -11.89668533
  H     15.59674772      5.26826385    -17.81669547
  O     11.63722931      7.32312879    -14.88403305
  H     13.03860950      6.35499678    -11.83803339
  H     14.86807635      3.25294558    -12.59914514
  O     16.00963462      8.20967337    -13.66112184
  H     17.76878737      7.05218612    -11.11172712
  H     14.99730127      4.52482471    -13.44802178
  O     13.46829339      7.71607989    -12.84505586
  H     16.28225399      7.00111758    -10.73413255
  H     19.98578063      5.65054636    -11.01440136
  O     11.84555103      7.07870212     -9.16310851
  H     15.07930877     10.14031365    -13.87628982
  H     18.81818926      5.04251788    -11.82549638
  O     18.21572452      3.93387029    -13.04045652
  H     13.81677218     10.67599881    -13.18093946
  H     10.40187347      8.28139821    -11.43639562
  O     15.27060046      5.49276999    -16.94991008
  H     16.52307990      2.83017716    -10.94635738
  H      9.70034518      9.40768665    -10.64267291
  O     14.34666486      3.93502389    -13.04011869
  H     16.29077303      1.38092106    -11.43270459
  H     14.85400904      6.47371732     -9.03292388
  O     19.03533950      5.64349744    -11.09017096
  H     15.70720824      8.26947891    -15.56614519
  H     14.34140960      5.71371483    -10.28713324
  O     10.55053346      9.00581283    -10.80261088
  H     14.49918927      8.63381551    -16.45197948
  H     14.82310033      8.96827071     -9.14678856
  O     15.13093236      5.91813847     -9.77299762
  H     13.33626302     10.02755941    -15.36427592
  H     15.84918554      8.99402921    -10.29740822
  O     15.09773556      9.46931772     -9.92509836
  H     12.54629203     10.24277756    -16.67587430
  H     12.17903717      9.89549172    -11.22402670
  O     13.03395132     10.14661636    -11.59266866
  H     11.97280337      8.04136606    -15.43299930
  H     13.72451383      9.99220216    -10.92732758
          69
 Energy    -248.03835545612992     
  O     13.57114714      9.12801179    -11.02062934
  H     13.59463571      9.82008467    -11.69374726
  H     18.65995255      4.76063794     -9.58117898
  O     13.60916593      9.99608672    -16.83594044
  H     14.24490804      9.28750450    -10.34647820
  H     12.08959912      6.43071278    -11.44373159
  O     16.43100103     11.01223687    -13.33575416
  H     13.33562640     10.83133958    -16.43596611
  H     12.52245798      7.71417812    -10.71850559
  O     14.32117539      4.27105345    -12.96698103
  H     13.31719704      9.30430217    -16.22958563
  H     18.90842058      8.10029986    -12.56634827
  O     15.52906440      8.80234941     -9.04723116
  H     16.75565729     11.05829523    -12.42723459
  H     18.73316383      8.32313107    -14.08437298
  O     15.93331817     12.60659822    -15.60635898
  H     15.48317698     10.82367818    -13.29698454
  H     14.18660852     12.62095095    -15.48050355
  O     15.54266110      7.42368159    -12.12936108
  H     14.71652039      4.35346220    -12.09063059
  H     12.78168096     13.27273337    -15.51713495
  O     13.67260768     10.54381472    -13.36121285
  H     15.05634280      4.26374334    -13.59233814
  H     12.66300877      7.46035446    -14.24026773
  O     17.28064911     10.81703143    -10.70232980
  H     15.05624151      8.00248963     -8.78092896
  H     14.02644835      7.78133486    -14.87905893
  O     18.59822529      5.13614732    -13.11843535
  H     16.34159853      8.49875651     -9.46659765
  H     16.39899490     10.35638110    -18.33909737
  O     16.55756458      4.49683821    -14.72929533
  H     16.16427873     11.97144445    -16.29537596
  H     15.31582702     10.17602090    -17.24977678
  O     18.30100929      5.33049075    -10.25631356
  H     16.24746063     12.21777034    -14.77811935
  H     11.42175676      5.33925029    -13.59700595
  O     12.19439953      6.81398332    -10.56635156
  H     14.79377297      7.97163221    -11.86545646
  H     12.91513037      5.29535490    -13.20825111
  O     19.21593985      7.80291467    -13.42854958
  H     15.53531889      7.31720675    -13.08787721
  H     13.56813050      6.11446959     -7.78731408
  O     13.23328546     12.44486203    -15.38058313
  H     13.45108311      9.71675781    -13.81536628
  H     13.28739338      6.47718370     -9.26461364
  O     13.14676337      8.15266906    -14.70466229
  H     13.40303184     11.26283446    -13.94497795
  H     15.05072406      5.41580963     -9.80517141
  O     16.25800569     10.37346480    -17.39627912
  H     16.69912063     10.80422579     -9.94062073
  H     15.54886771      5.91234451    -11.17843251
  O     12.14259317      5.88259637    -13.28696635
  H     17.67371524      9.93219407    -10.72428334
  H     17.06305628      7.89502936    -11.36387894
  O     13.99467140      6.36506108     -8.60232614
  H     18.59657312      5.07347450    -12.15825420
  H     18.17340436      7.21786749    -10.52304540
  O     15.58413167      5.15788037    -10.56734464
  H     18.90308649      6.03371474    -13.32209945
  H     16.36740227      7.77790255    -15.04114168
  O     17.84128225      8.07678252    -10.81014507
  H     17.31720167      4.67427655    -14.14389414
  H     16.01316050      6.24217042    -14.96591770
  O     15.65938682      7.13640837    -14.88882048
  H     16.85185068      3.86501742    -15.37940351
  H     17.19604979      9.56884691    -15.99632831
  O     17.46358864      9.20544493    -15.14312323
  H     17.34583214      5.15205966    -10.30161487
  H     17.15659481      9.83513806    -14.47240839
          69
 Energy    -248.03830211741257     
  O     10.79631968     11.58884994    -10.07968758
  H     10.14977269     11.82231555     -9.41946347
  H     12.78559134     14.00843245    -11.04467612
  O     14.79138821     11.05836135    -12.91747469
  H     11.46213338     12.30052541    -10.08819192
  H     11.52736746      8.03077221    -15.55972812
  O     15.32522365     12.32973733    -15.91499605
  H     15.58807895     11.54801882    -13.15872982
  H     10.14753705      8.56540770    -15.13688738
  O     17.44011231      9.15361468    -11.47120990
  H     14.04716482     11.54106399    -13.29605588
  H     16.11145722      9.66517547    -17.93421844
  O     10.89392388     10.87590361    -12.76476319
  H     15.39530126     11.47324143    -16.35671174
  H     16.37090085      9.41097558    -16.43139460
  O     11.60322503     11.20703731    -16.40946771
  H     14.42627320     12.38853201    -15.58275601
  H     14.18849242     14.70700634    -12.46736214
  O     13.14187349      8.92322098    -16.25790974
  H     17.15384171      8.36345402    -11.94718564
  H     13.11674474     15.72882973    -12.92160945
  O     15.35588132     12.84147417     -9.50392103
  H     16.68460515      9.45146388    -10.94960239
  H     18.04295261      9.48443565    -14.70824523
  O     12.71776853     12.47298802    -14.13654129
  H     11.25924875      9.98078720    -12.69936282
  H     17.27159580      8.15930327    -14.64747057
  O     14.30345889      8.50476706    -13.78736481
  H     10.74912718     11.17831472    -11.85934110
  H     16.29306098     13.83764603    -12.52849055
  O     18.80019079     10.56806330    -13.34119411
  H     11.96887397     11.78467031    -15.72764143
  H     15.75867417     13.87232033    -11.07283287
  O     12.67773238     13.50080198    -10.23212953
  H     10.72223181     10.96609532    -16.09571175
  H     11.34405207      7.95234552    -13.29263087
  O     10.75053167      7.82066150    -15.02571506
  H     13.99812621      9.11179504    -16.66232523
  H     12.77028114      8.28540395    -12.83819130
  O     15.71401843      9.74011240    -17.07007115
  H     12.60623490      9.72288201    -16.37563228
  H     16.38486607      6.15539414    -13.15271875
  O     13.25092413     14.80727497    -12.71774747
  H     15.80460044     12.91259933     -8.66527709
  H     15.67684068      7.50587555    -13.41922255
  O     17.53183762      8.86887597    -15.24719557
  H     15.30524557     11.89391872     -9.71466465
  H     12.23320209      8.76966342    -10.72967798
  O     15.77237209     14.36229310    -11.90368951
  H     12.04729553     11.97637473    -13.64184539
  H     11.91704530     10.01087956     -9.88012602
  O     11.85174015      8.27488433    -12.53397894
  H     12.83022910     13.33192887    -13.70682698
  H     16.52956991     12.58162233    -14.59089962
  O     16.53841707      7.09320411    -13.22938748
  H     14.55940571      9.39518535    -13.50599013
  H     17.67481633     11.99248936    -13.68034171
  O     12.52343740      9.26446793     -9.95224833
  H     13.88442791      8.59030896    -14.65518681
  H      9.75427293     10.57359294    -14.14610800
  O     16.95183777     12.63035296    -13.71915530
  H     19.72897279     10.58821628    -13.12661172
  H      8.38060406     10.53444864    -14.85436434
  O      9.30529156     10.33349434    -14.97359996
  H     18.35307010     10.09713121    -12.61423746
  H     14.94712871     10.55100466    -11.24335874
  O     15.07061709     10.24848016    -10.32944345
  H     13.56835605     13.31553026     -9.90960630
  H     14.23692510      9.82864432    -10.07399224
          69
 Energy    -248.03828284250426     
  O      9.74709459     11.71442104    -10.06440830
  H      9.98346689     11.54850802    -10.99335705
  H     13.44274648     12.37855437    -13.32233773
  O     12.75985117      9.84904291    -16.55842235
  H      8.81517372     11.91744969    -10.05008459
  H     15.23752988      7.81000900    -13.53194188
  O     11.60786073      7.16103558    -10.87785953
  H     12.51528294     10.77683240    -16.45644570
  H     16.26426248      6.66638507    -13.51183259
  O     13.99044385      8.85299384    -14.32097393
  H     11.94047415      9.35081329    -16.44058870
  H     13.96964113     14.42765473    -11.08664756
  O     11.84150902     12.52942290    -16.01845340
  H     11.30967912      7.80141646    -10.21823274
  H     13.18154073     15.73915462    -11.31487047
  O     11.45510286      8.63082394    -13.17433802
  H     12.56644160      7.09816563    -10.76261550
  H     14.89028630      7.51342180     -9.79608837
  O     15.51174663      7.94291091     -8.08595928
  H     13.16216769      8.70583019    -13.84177279
  H     14.99695188      7.36669475    -11.36179920
  O     13.52185988     10.13976851    -10.71121598
  H     13.73016214      9.17180201    -15.19720080
  H     17.94032738     11.43763103    -11.70266263
  O     13.32554072      9.38422061     -7.33450205
  H     11.96623835     13.30649802    -16.55780454
  H     16.90679595     11.01962340    -10.63314989
  O     15.37466536     13.60886935    -10.46331919
  H     12.15004569     12.75730155    -15.12587344
  H     10.03669984     11.23953365    -13.44721954
  O     11.25568007      9.45158292     -9.25916186
  H     11.44799998      8.04611720    -12.40283438
  H     11.30861531     11.86423719    -12.82239292
  O     12.66793095     12.95396820    -13.42170800
  H     11.18652452      9.51117231    -12.88258879
  H     13.34160147     12.41360087     -8.61187640
  O     15.84340916      7.31689351    -12.95518909
  H     14.71170811      8.39040376     -7.75517301
  H     13.96578474     11.20580130     -9.34119768
  O     13.11088387     14.78970033    -11.37209553
  H     15.82331683      7.38149570     -7.38119491
  H     14.59133422     10.36801782    -13.53258164
  O     14.39092556      7.51155178    -10.62153325
  H     13.86403265      9.23395054    -10.70159231
  H     15.56130481     11.20825731    -12.61403107
  O     17.00894388     11.45289281    -11.49884287
  H     13.84274840     10.55497450    -11.51883711
  H     10.17904548     11.67032031    -15.56689279
  O     10.56768286     11.27241182    -12.63700166
  H     13.58390955     10.30134283     -7.48547213
  H      9.63258156     10.23739304    -15.43958988
  O     14.11772806     11.83273858     -8.61382122
  H     12.50412459      9.27603352     -7.83244528
  H     16.35919334      9.54268746     -8.71628697
  O     14.68926303     11.18755847    -13.02812830
  H     16.01107692     13.02962961    -10.89601827
  H     15.86463638     10.99529875     -8.66301352
  O      9.48223873     11.14656000    -15.15037900
  H     15.02151579     13.09649632     -9.72428310
  H     11.14027569     12.84864785     -9.41515822
  O     16.57378219     10.43718631     -9.00635092
  H     11.99919728      9.71444168     -9.82528016
  H     12.16977415     13.89323105     -9.90382539
  O     11.91242650     13.35969869     -9.14293143
  H     10.59978487     10.14847480     -9.36818439
  H      9.96750020      7.65541681    -15.88548121
  O     10.38027535      8.49410630    -15.69715916
  H     12.75819138     13.66653310    -12.77742023
  H     10.72731462      8.43747450    -14.78993762
          69
 Energy    -248.03828080719899     
  O     12.44072799      9.63384320    -10.70065983
  H     12.88818893      8.84840461    -11.03927216
  H     13.54766051     13.32280790     -6.43351377
  O     10.72578586      6.20921838    -11.84743692
  H     12.97277555     10.00657015     -9.98602740
  H     11.10845150     12.89151857    -11.51058906
  O     11.77604004     11.50528674    -12.55297829
  H     10.30416993      5.38219348    -12.06285890
  H     10.25961103     13.36583997    -10.31773579
  O     14.08572791     10.70237974     -8.69921169
  H     10.60822055      6.79775104    -12.61661959
  H     11.25013641      9.57761081     -7.35878025
  O     15.46181303      7.75831973    -10.05949869
  H     11.96756381     10.82013288    -11.89356019
  H     10.89941517      8.33651636     -8.19981421
  O     13.11262374     15.10033451    -11.50133662
  H     12.61579793     11.94598482    -12.73013262
  H     10.24774456     11.72471721     -7.99465734
  O      8.55358283     10.33611884    -10.85171457
  H     14.18828981      9.89211550     -8.18422002
  H     11.60433288     12.00411790     -7.32311779
  O     14.25707990     12.77537449    -12.67539350
  H     13.74629984     11.39261348     -8.11618243
  H     14.37116340      7.78436020     -6.71805848
  O     14.61838757     14.21789302     -9.26007638
  H     15.04891080      7.82737268     -9.19151615
  H     13.13219022      8.27136807     -7.50434332
  O     10.16282664      8.23467792     -9.95207788
  H     14.78330715      7.40397357    -10.65183533
  H     15.17861822     11.47726342     -9.84768442
  O     15.07739635     10.23782224    -13.67672749
  H     12.88800473     15.98006949    -11.79089537
  H     16.31215470     11.21189980    -10.84953309
  O     13.24874269     12.97022040     -7.26791791
  H     12.27573767     14.65794443    -11.26654550
  H     11.54047704      8.14330275    -14.16189027
  O     10.89688533     13.66751845    -10.97455709
  H      8.98511939      9.54443702    -10.50144467
  H     10.16903437      8.79024307    -13.84613126
  O     11.45569892      8.63688883     -7.47168456
  H      8.75595245     10.36093983    -11.79331586
  H      9.08206289     11.09258505    -14.21845553
  O     10.89627953     11.35295207     -7.38477847
  H     13.93738316     13.65516256    -12.44189580
  H     10.30734976     10.92587866    -13.28796452
  O     14.10285126      8.17808224     -7.54355526
  H     14.77797485     12.47779718    -11.91360341
  H      8.18899225     12.77690083     -8.90081537
  O     15.75712443     11.91455687    -10.49234312
  H     15.19564754     13.55587940     -9.66143894
  H      8.81340156     11.69814110     -9.81369647
  O     10.62992037      7.94471767    -13.90930671
  H     14.12406231     14.61440589     -9.98846140
  H     13.79258642      7.86214215    -15.20366229
  O      9.47737268     10.50693934    -13.57772134
  H     10.92579811      8.79577194    -10.16496879
  H     13.98387091      9.00378669    -14.18252793
  O      9.02170898     12.45310566     -9.23436288
  H     10.24467729      7.45249344    -10.50974184
  H     17.75399962      9.22669559    -11.64268705
  O     13.42718822      8.23679259    -14.40606217
  H     15.71864427      9.99255274    -12.99783034
  H     16.39213410      8.91287837    -10.98268623
  O     16.86278681      9.55192654    -11.54705169
  H     14.83268389     11.15458459    -13.50358994
  H     13.46320967      7.46763066    -12.71470562
  O     13.37627827      7.19001134    -11.79298872
  H     13.68909994     13.49299656     -7.96068358
  H     12.53429146      6.72280141    -11.72248675
          69
 Energy    -248.03814683615511     
  O     11.60634362     10.47802556    -11.74116601
  H     12.10017142     11.06627179    -12.32413269
  H     19.17747949      5.66794217    -15.91486187
  O     13.92541692      7.49557741    -15.16070054
  H     10.93791931     10.05626353    -12.29484943
  H     15.57487890     13.08283954    -16.13463261
  O     17.82362768     10.98420314    -11.36672793
  H     14.14894926      7.44573822    -16.09748050
  H     16.07270702     11.68216068    -15.71585320
  O     17.39717714      8.41393454    -17.15014185
  H     14.65198064      7.97853459    -14.73442846
  H     16.46226602      9.37632844    -14.52862084
  O     12.06041869      9.57032662    -15.19409324
  H     16.87027771     10.96229180    -11.52911187
  H     15.70545223      9.36398938    -13.17541807
  O     15.83032223      7.42197431     -9.93823387
  H     17.99160969     10.28071591    -10.72710468
  H     19.18283082      8.16866250    -11.32410921
  O     13.26477393      6.41929409    -12.70714493
  H     17.75426471      7.58509172    -16.80218183
  H     19.57102034      8.75727212    -12.69709636
  O     15.14213088     10.54685688    -11.93581483
  H     16.50583206      8.21525646    -17.45962041
  H     10.33163267      6.23268947    -11.46911525
  O     14.65929537      7.94700014    -17.84750557
  H     12.63958945      8.79579511    -15.15312386
  H     11.48856667      6.43457066    -12.45948518
  O     15.66115309      5.23964203    -11.81018918
  H     11.25480865      9.35355917    -14.71065437
  H     18.82571152     10.76527550    -12.75308826
  O     17.42437900     10.56370220    -15.52781773
  H     14.98726542      7.87108520    -10.08117316
  H     20.16309397     11.07936998    -13.46622485
  O     18.30883656      6.06226424    -15.95207880
  H     15.79447285      6.62124274    -10.47392169
  H     16.91039433      7.35108818    -13.55134926
  O     15.27741496     12.23155786    -15.82273919
  H     14.02945680      5.91753159    -12.39927371
  H     18.25918686      6.94061876    -12.91500631
  O     15.96382874      8.81206989    -13.92425565
  H     13.45323067      6.69667045    -13.61540263
  H     17.36874382      8.23639469     -9.80736283
  O     19.53124190      7.93439009    -12.19488860
  H     14.60295701      9.90922782    -11.44928016
  H     18.52321974      8.62201367     -8.85699148
  O     10.54114456      6.59774112    -12.32579192
  H     14.54629669     11.01205705    -12.53951920
  H     14.20693866     11.08349241    -16.93393530
  O     19.38554047     10.52886384    -13.51625451
  H     14.37109713      7.62415261    -18.69714646
  H     12.94922402     10.22138218    -16.71388170
  O     17.46229312      6.58444436    -13.33576026
  H     14.31611833      8.85467665    -17.75987105
  H     13.34840836      7.89038047    -11.52009576
  O     18.23520202      8.67790962     -9.76428373
  H     16.34180532      5.64201700    -12.37796252
  H     12.73208675      9.23347065    -11.04613470
  O     13.64816622     10.41837878    -17.35276827
  H     15.91714708      4.33118777    -11.67380748
  H     14.00192572     11.95890351    -14.43588298
  O     13.44939821      8.60444486    -10.87758292
  H     17.52946739      9.84879895    -16.17815953
  H     12.90481409     10.89435730    -14.26438949
  O     13.37877207     11.59614123    -13.79419752
  H     18.17975411     10.56081329    -14.92659859
  H      8.95381980      9.03211200    -13.64014030
  O      9.89559291      8.97341894    -13.50193682
  H     18.01989646      6.15063181    -15.03129602
  H     10.06799047      8.10625662    -13.09653943
          69
 Energy    -248.03813775702909     
  O     15.18914251      9.61986790    -10.49639289
  H     14.92692771     10.27369432    -11.15931500
  H     14.66162979      4.26568142    -16.09642057
  O     13.50533657     10.97747584    -16.13930574
  H     14.37107735      9.19322753    -10.18980642
  H     16.52440187      4.29339703    -11.36799919
  O     17.10081800     10.75712155    -13.57770315
  H     13.11848208     10.35915938    -15.50696341
  H     17.84939411      5.07145137    -11.44259288
  O     12.94255036      5.04624572    -13.13273486
  H     13.60625629     11.80968806    -15.66072451
  H     12.54260479      7.79917539    -10.67845564
  O     16.60730290      7.52012269     -9.03837095
  H     17.58458435     10.55000656    -12.76674298
  H     13.31100661      7.34368527     -9.40701784
  O     16.67042923     12.65082565    -15.59630511
  H     16.17222593     10.85124762    -13.32504897
  H     18.40573865      7.68316664    -14.83610373
  O     15.51996151      7.33345085    -12.18736586
  H     13.50826486      4.81010434    -12.38358491
  H     19.81440366      7.06038650    -14.75405947
  O     14.44735722     11.09180746    -12.73062507
  H     13.48097261      4.91416672    -13.92072340
  H     15.12313394     13.16155667    -14.92420536
  O     18.17521704      7.07877688    -11.57891979
  H     16.21062709      8.32866718     -9.38636753
  H     14.02552013     14.17926817    -14.52754948
  O     18.01996360      9.92258308    -11.14285240
  H     17.31233523      7.29194043     -9.65194008
  H     12.35377884      8.63763471    -13.43426077
  O     17.25559257      4.69602195    -14.38253621
  H     16.52123577     12.03767007    -16.32581365
  H     13.55620838      8.61324803    -14.40352052
  O     14.76319445      4.86332034    -15.36103910
  H     17.02108914     12.10811593    -14.87564924
  H     15.76325259     10.55148029    -18.33182959
  O     17.44569270      4.22300972    -11.65467967
  H     15.26487298      7.43809156    -13.11172400
  H     15.00899693     10.61678468    -16.98444353
  O     13.02337443      8.11837492     -9.90492001
  H     15.29565841      8.13810265    -11.70616442
  H     10.73428236      7.10631586    -12.25645650
  O     18.94879070      7.04083428    -14.35144158
  H     13.85652200     10.44190238    -13.13935293
  H     12.09967096      6.48717791    -12.62955482
  O     14.23469353     13.24939744    -14.53482012
  H     14.30448940     11.92574359    -13.19471465
  H     14.34380047      5.72538700     -7.58841610
  O     12.88334833      9.19538762    -14.01560222
  H     17.23187606      7.13383784    -11.80796811
  H     15.22326192      6.49668121     -8.60020088
  O     15.88907918     10.50819461    -17.38754708
  H     18.63110732      7.04898759    -12.42900287
  H     15.00791089      5.76492197    -11.45592231
  O     11.66800091      7.29730026    -12.30461352
  H     17.13168208      9.94323470    -10.76625920
  H     14.56974899      5.10828803    -10.12842778
  O     14.38660290      6.00939938     -8.49757562
  H     18.24367478      8.98742918    -11.22768296
  H     14.83401680      6.66649314    -15.17082157
  O     14.77478468      4.91392388    -11.05047700
  H     17.86640798      5.43578541    -14.46256358
  H     15.72423262      7.96234057    -15.20506674
  O     14.89385545      7.58763152    -14.88578101
  H     17.33137693      4.39063293    -13.46670565
  H     16.90655696      9.36062752    -16.31912127
  O     17.26422569      8.88720317    -15.55725384
  H     15.66629916      4.73505148    -15.01540809
  H     17.25979409      9.52443039    -14.82421644
          69
 Energy    -248.03809720358544     
  O     -3.68753868      0.07361222      3.18550174
  H     -4.08710108      0.52584783      2.42392584
  H     -5.47266011     -2.36413763      1.81842405
  O      0.48141757      2.60035480      2.78840378
  H     -3.32521039      0.76051225      3.75467879
  H     -1.97271524      1.67127398     -0.26696831
  O     -2.41099475     -1.68169985      1.55629931
  H     -0.29743945      3.15014864      2.63245386
  H     -2.82109747      2.83077468     -0.90316361
  O     -4.32301430      0.67217126     -2.84329548
  H      0.31591691      2.12884457      3.61433734
  H     -7.44145398      2.01207475      1.60352241
  O     -1.73860960     -0.32689880     -3.02451930
  H     -3.14414697     -2.26149274      1.32694262
  H     -7.56748974      1.69758763      0.07871268
  O     -4.65435889      1.23786023      0.92018364
  H     -2.78357646     -1.04725935      2.19121144
  H      2.05695834      0.72515295      0.78871168
  O     -7.40913455      1.34767312      3.34032236
  H     -3.44273083      0.31295160     -3.02572364
  H      0.93804140      1.39468466      1.62144499
  O     -7.88415308      0.37833612     -1.10749703
  H     -4.72635260      0.06951312     -2.20647021
  H     -4.53101682      2.73098539      4.42735509
  O     -2.67673369      2.24195520      4.57846936
  H     -1.48942146     -0.25638775     -2.08933104
  H     -5.16790461      3.77105414      3.49404845
  O     -4.05136540      3.27885630     -2.21935383
  H     -1.25581495     -1.07369969     -3.36978941
  H     -2.79937979      4.37964719      2.37571580
  O     -5.41022921     -0.84204072     -0.72877893
  H     -5.47925407      1.73614457      0.86788172
  H     -2.10587384      3.35400978      1.45776968
  O     -5.00898248     -2.89847058      1.14813080
  H     -3.93947542      1.78419088      0.57193960
  H     -4.72347132      6.06657204      2.49674684
  O     -2.39793562      2.52197975     -0.09194447
  H     -8.11088478      1.44934564      3.97867200
  H     -4.86433492      4.92380279      1.46510425
  O     -7.22640096      2.33794438      0.72017167
  H     -6.67902689      1.91825736      3.64178736
  H     -6.69722686     -0.49519367      3.06543494
  O      1.14605506      0.63088427      1.05339385
  H     -7.08045055     -0.15653217     -1.01245886
  H     -5.24220363     -0.88617750      3.29574251
  O     -5.37581636      3.01702627      4.05913142
  H     -8.05874246      0.41908579     -2.04526759
  H      0.24537148      0.60808680      5.74283720
  O     -2.04287173      3.78238595      2.32491827
  H     -2.43241645      2.78203654      3.81160295
  H     -0.22387783      0.13893175      4.34695498
  O     -4.50354176      5.15186616      2.34060860
  H     -1.86591524      1.81207476      4.87827062
  H      0.45311777     -0.59732345      2.36165993
  O     -6.10165628     -1.25122384      3.03695385
  H     -3.88190010      3.75862420     -3.02582402
  H     -0.80986316     -1.44651387      2.58809280
  O     -0.24654872      0.88342637      4.97380886
  H     -4.21854701      2.35361264     -2.47578983
  H     -1.65573505     -0.60980358      0.26706809
  O     -0.06111235     -1.04470697      3.04543358
  H     -5.30267544     -1.66364184     -0.23747967
  H     -0.34315609      0.20719584      0.07603486
  O     -1.20074695      0.00756436     -0.32240826
  H     -5.09561686     -0.13944043     -0.13841582
  H     -5.09810890      4.06742335     -0.81696010
  O     -5.55256432      4.40696252     -0.03775516
  H     -5.31782679     -3.79416319      1.25473754
  H     -6.26728569      3.78445014      0.16028370
          69
 Energy    -248.03794293447686     
  O     13.45818582      8.90512882    -14.46399307
  H     13.55157100      8.09486497    -14.99895230
  H     15.64416907      9.48556069    -23.20184319
  O     13.52489995      9.54194039    -20.35162182
  H     12.55260736      8.93568731    -14.16757817
  H     18.54118154     14.08514963    -18.39153550
  O     14.55168477     10.52341029    -16.53948266
  H     13.64519609     10.39745790    -19.91939274
  H     19.77791438     14.72599363    -17.71781237
  O     17.42640576     13.96188691    -19.73397282
  H     14.17163036      9.51633326    -21.06768854
  H     14.44832290      4.77607852    -20.38619884
  O     16.59385920     14.21962668    -16.11425460
  H     15.17792833      9.87445273    -16.90173928
  H     14.73891435      6.08837773    -19.61722165
  O     14.34094914     11.86501845    -18.92721962
  H     14.03051334     10.06142701    -15.87492393
  H     15.50795251     14.43024305    -17.46808337
  O     16.35821634      8.72671965    -17.49145083
  H     16.57698246     14.25145832    -19.37818526
  H     14.50911115     15.33688002    -18.22505021
  O     13.76952287      6.74104582    -16.02166853
  H     17.27355510     13.07625637    -20.08939763
  H     16.57156341      5.25845742    -16.56306741
  O     15.92848956      9.41534454    -13.24713215
  H     16.59043248     13.39978171    -15.60399644
  H     16.32520782      4.38063049    -15.31543965
  O     16.61544580     11.60786476    -15.02120211
  H     17.48036818     14.28997358    -16.49201992
  H     18.72846241     10.36021606    -18.14526813
  O     16.86946422      7.17287452    -21.46862233
  H     14.33197601     11.43395874    -18.05987559
  H     17.92524696     10.38106727    -19.48666276
  O     15.69133390      9.47846894    -22.24970290
  H     14.44596294     12.80988980    -18.76138359
  H     18.19019800     11.41760042    -16.10924845
  O     19.04399502     14.13918947    -17.55898618
  H     17.06659983      9.11812421    -18.01456840
  H     19.04985046     12.33884402    -16.99874972
  O     15.15102929      5.36147952    -20.11830714
  H     16.75448673      8.37760413    -16.67907723
  H     15.04257950      7.83832841    -18.30760045
  O     14.99966270     14.52244035    -18.29417165
  H     13.77268526      6.95092997    -16.96547528
  H     13.85965381      8.16433089    -19.26057803
  O     16.16669205      5.24856789    -15.67629295
  H     14.53501319      6.17264810    -15.87010625
  H     18.85470481      8.15186220    -19.28549334
  O     18.47168966      9.82619637    -18.91369550
  H     15.85729707      9.35046582    -12.29765899
  H     19.87468065      7.04018981    -19.61100676
  O     18.90310574     11.41520622    -16.75933120
  H     15.04276100      9.24414060    -13.60519845
  H     17.83583399      5.97242252    -18.52176532
  O     14.22954396      7.47425656    -18.69123522
  H     15.89052978     11.34541256    -15.60748751
  H     16.54776775      5.19774452    -18.85908076
  O     18.94104488      7.21025017    -19.51296010
  H     16.56704653     10.99058001    -14.28468325
  H     16.96760069      6.87801483    -15.13266144
  O     17.21393029      5.32365415    -18.17174556
  H     17.63559000      7.17401166    -20.88200129
  H     16.93402110      8.25081494    -14.40195723
  O     17.33435546      7.77173309    -15.13663623
  H     16.27520355      6.49434426    -21.12517512
  H     16.39477582     10.76281700    -21.12041555
  O     16.66914582     11.32936414    -20.38868067
  H     16.12982346      8.64644267    -21.99681921
  H     15.87778086     11.48582846    -19.85289333
          69
 Energy    -248.03768760639770     
  O     11.44461955      8.79773926    -13.72354437
  H     11.74871906      8.50535472    -14.59676625
  H     20.06044034     11.25952656    -14.69516886
  O     16.94574366      6.73191414    -14.39559142
  H     11.80792817      9.67931535    -13.59626900
  H     15.58144127      7.90933843    -14.42615440
  O     17.01965908      9.88301903    -11.20765348
  H     17.61656305      7.31876613    -14.01945327
  H     14.11794230      8.23116935    -14.87574919
  O     15.07057945     11.18538492    -15.03247978
  H     16.56485842      6.23699816    -13.65746845
  H     10.80565933      6.15720416    -12.15060916
  O     13.63225108      5.31450547    -16.50846984
  H     17.22890583      9.43370861    -10.38002919
  H     11.57399990      7.34061396    -12.78128412
  O     15.30899659      6.88939887     -8.34408621
  H     16.06875283      9.77752950    -11.35447696
  H     18.59459293      7.02723725    -11.75151712
  O     15.81718882      5.60848443    -12.09658874
  H     15.81619443     11.29518501    -15.64397275
  H     18.11900740      7.00153777    -10.29119829
  O     14.36008225      9.53081748    -11.85679169
  H     15.05494380     10.24149857    -14.80514848
  H     14.42002119      5.05137771    -13.25721835
  O     16.40941017      8.88212201    -18.32412896
  H     13.27311202      4.53097639    -16.91581551
  H     12.93780112      5.47418587    -13.34166566
  O     17.22325462     11.03709717    -16.67206611
  H     13.65545949      5.14636168    -15.54862604
  H     17.19998839     11.29944044    -12.39935063
  O     16.16170195      6.51928854    -17.04623271
  H     15.14269937      6.04317722     -7.93562318
  H     16.46136063     11.74276790    -13.68476104
  O     19.26850749     10.72815305    -14.67088355
  H     14.71541268      6.93728153     -9.11080368
  H     18.97942323      9.15139432    -13.65751462
  O     14.85392722      8.53537394    -14.33041039
  H     15.17664087      6.11746852    -11.58394488
  H     18.05163369      8.96208257    -12.43731820
  O     11.68311244      6.49332992    -12.31349113
  H     16.67807531      5.75717206    -11.67716874
  H     18.06244888      8.48314275     -8.15728717
  O     18.24776901      6.44216286    -11.06635429
  H     13.77813954     10.26115916    -12.09052579
  H     16.76891604      7.81057760     -8.67334636
  O     13.63757617      5.01451758    -13.82106134
  H     14.53820264      9.07252583    -12.69582016
  H     14.14958446     10.53216294    -16.80628088
  O     17.27765166     11.85691724    -13.18608563
  H     16.34633630      8.01870737    -17.87811055
  H     14.71393381      9.57581630    -17.86505819
  O     18.61634513      8.48468366    -13.06270264
  H     16.70062498      8.70876958    -19.21539872
  H     14.00566335      8.01337721    -10.97580606
  O     17.57055003      8.28663056     -8.95049209
  H     18.00447088     10.83695317    -16.14355975
  H     13.04692651      6.81331705    -11.10993144
  O     13.88765216      9.89557896    -17.47816079
  H     17.07186310     10.28242658    -17.25592227
  H     13.57479330     11.44206418    -14.00221226
  O     13.85251781      7.10820791    -10.66750424
  H     15.32036244      6.05672992    -16.95826152
  H     12.43666738     12.24333713    -13.33799837
  O     12.83974421     11.37901690    -13.37072825
  H     16.56212299      6.50619986    -16.16559719
  H     12.92434321      7.03240660    -16.32374356
  O     12.69124676      7.91598012    -16.01581441
  H     18.61822995     11.22018104    -14.13684315
  H     13.02497712      8.56604008    -16.65298469
          69
 Energy    -248.03765554817960     
  O     19.53798288      9.36106482    -14.27644558
  H     20.37336415      8.95920853    -14.00427124
  H     19.88665982      4.24399465    -13.49955860
  O     21.17547398      7.00729410    -10.99713275
  H     19.17514243      8.77926869    -14.95411214
  H     15.30394301      8.17248264    -14.64766916
  O     15.47579780      8.54189011    -10.66553721
  H     20.52375925      7.59090644    -10.58145959
  H     16.38549443      9.04079674    -13.94192184
  O     13.48149149     10.28055571    -13.97788909
  H     20.95768220      6.10766039    -10.73248804
  H     18.65583572      6.14836865    -12.98692490
  O     11.69908856      8.11244176    -14.56538351
  H     14.72596225      9.13959129    -10.78476917
  H     17.78251848      5.85622331    -11.71642117
  O     17.70131345      5.11581345    -10.03386131
  H     16.16987042      8.83138274    -11.27440648
  H     14.14663394      6.53853035    -13.51295423
  O     14.15684212      6.25951242    -11.75128082
  H     14.32815781     10.00890581    -14.35390379
  H     13.29649449      7.11456049    -14.67417682
  O     20.35841823      4.32993558    -10.36209147
  H     12.82798371      9.65355364    -14.31287911
  H     16.36350687      7.85634406     -9.27451682
  O     15.55574765      3.92902687    -11.35306692
  H     10.82888751      8.01283796    -14.94094282
  H     16.61454449      7.61599872     -7.76702940
  O     17.00881149      2.82246561    -13.61800698
  H     11.61302538      7.96570552    -13.60581306
  H     20.69212504      6.51099420    -14.10028663
  O     21.80065080      7.83058418    -13.46206178
  H     18.62772770      4.85139891     -9.96419863
  H     19.42065055      6.38013168    -14.97700683
  O     19.68699467      3.54421628    -12.86275664
  H     17.54059287      5.85967926     -9.44061284
  H     12.98993451     11.00406040    -10.92892646
  O     15.87537979      8.94775876    -14.75614502
  H     14.58190321      5.40575751    -11.58329639
  H     13.38135217     10.28043005    -12.23929482
  O     17.80570610      6.32211294    -12.56101609
  H     14.68692294      6.94996081    -11.33515091
  H     18.69546250      8.95898487    -10.80033515
  O     14.15773454      6.73729633    -14.46259977
  H     20.15711271      3.98708632    -11.25226233
  H     18.51574958      8.30856381     -9.42070788
  O     16.97855492      7.45929044     -8.63469882
  H     20.92543299      3.68928632     -9.94130014
  H     15.57140045      5.64383852    -14.80870087
  O     19.97003848      5.91276890    -14.33569974
  H     16.27686253      4.21453058    -10.77445139
  H     16.85447502      5.63982341    -13.94517471
  O     13.29577451     10.16985500    -11.27484824
  H     15.97705289      3.44737675    -12.07311301
  H     17.33420624      8.04349281    -15.67392901
  O     19.18107907      8.66019072    -10.02348637
  H     16.78118526      3.60979296    -14.14101051
  H     17.52969089      6.54033692    -15.71038774
  O     16.45578062      5.25829552    -14.74438521
  H     16.75216115      2.06467194    -14.13816448
  H     12.16384840      8.60188007    -11.53042610
  O     18.00836056      7.37060356    -15.83932301
  H     21.63869430      7.56166655    -12.53824404
  H     12.48369244      7.11131802    -11.72797579
  O     11.79377126      7.77596386    -11.86481560
  H     22.73328315      8.00877130    -13.54083529
  H     17.63153448      8.04358495    -12.45911116
  O     17.56629599      9.01413426    -12.43354053
  H     18.80810229      3.21585073    -13.08681207
  H     18.26860468      9.33941465    -13.01703788
          69
 Energy    -248.03761763013810     
  O     16.40373211     10.46116190    -17.19656368
  H     16.85813584      9.85769304    -16.58257571
  H     17.28698447      5.46253343    -11.65058777
  O     15.46561452      5.49429310    -14.51229261
  H     15.89874934     11.06564170    -16.64186144
  H     20.34518002     10.80333431    -16.55713755
  O     17.32070340     14.14681651    -12.18608649
  H     15.92597135      5.75427466    -13.70513285
  H     21.87991338     10.61079720    -16.60878124
  O     19.94565990      8.84881431    -14.19459970
  H     14.68902017      6.05975365    -14.59708546
  H     17.32947271      7.80118461    -15.85654738
  O     15.87121430     11.23802704    -10.36793527
  H     16.39094062     13.88837955    -12.16274701
  H     18.30333660      8.69648442    -15.02160993
  O     15.11093349      9.19358476    -14.05175657
  H     17.73979149     13.67952185    -11.45183103
  H     15.93345400      9.01110842    -12.48493652
  O     18.00229333     12.36179829    -14.16020394
  H     20.44129021      9.33325487    -14.86656437
  H     16.77915534      7.92002293    -11.80158162
  O     19.32835660      6.16049376    -13.92701901
  H     19.71170952      9.45618302    -13.47924499
  H     15.53765792      7.35052302    -17.41337533
  O     13.39813776      7.37757872    -15.27088917
  H     15.99534073     10.35007145    -10.72881844
  H     15.20381757      8.85778089    -17.51628897
  O     19.54174204      5.50387715    -16.70938957
  H     15.37486482     11.74127399    -11.02536039
  H     18.64259763     12.46622470     -9.30675570
  O     16.85144006      6.26261579    -16.73277947
  H     15.93223620      8.93859582    -14.50371334
  H     17.44904939     11.95352155    -10.15081469
  O     17.17199825      6.16273414    -12.28869195
  H     14.41384019      8.61300245    -14.37950272
  H     18.03019346      9.86448646    -12.07560907
  O     21.06368916     10.16461002    -16.40021663
  H     18.29083235     11.64751948    -13.57746514
  H     18.82368654     11.08231657    -11.53948319
  O     17.42497405      8.65637804    -15.41592122
  H     17.85154008     13.12840860    -13.58905533
  H     14.81918535     12.60081037    -13.28297231
  O     16.53995364      8.85352252    -11.74603261
  H     19.68583958      7.05963258    -13.95112860
  H     13.84449841     13.38144465    -12.37878817
  O     14.80937420      7.97994530    -17.53388069
  H     19.42428382      5.81869789    -14.82313649
  H     19.27045819      8.27865198    -18.33999083
  O     18.34655882     12.33110931    -10.20269051
  H     13.80325243      7.57412422    -16.13446699
  H     20.42952488      8.65748657    -17.38766310
  O     18.78008379     10.44741787    -12.26494339
  H     12.47539739      7.20095185    -15.43202724
  H     15.19033973     10.91031564    -14.55662350
  O     14.68760013     12.93381126    -12.38176518
  H     19.77304878      6.35935845    -17.11724046
  H     16.29408605     12.00783936    -14.66173540
  O     19.99648909      7.91181504    -17.81714009
  H     20.07096190      4.84006720    -17.14241856
  H     18.15556336     11.52142949    -17.10771521
  O     15.36381750     11.81556474    -14.85874261
  H     16.40304310      5.85178016    -15.97590942
  H     18.69927738     12.13903886    -15.81270095
  O     18.96372320     11.83789868    -16.69518436
  H     17.72638676      5.86544298    -16.81158613
  H     17.26795623      9.59893053    -18.63944509
  O     17.77724998      8.98272569    -19.18299428
  H     17.95421085      6.13727181    -12.86936327
  H     17.12638383      8.44862881    -19.63668161
          69
 Energy    -248.03757405791475     
  O     13.37426990     11.91309850    -15.79414278
  H     14.31916970     12.08241772    -15.88626206
  H     12.21862158      6.39825573    -15.24726328
  O     14.84944947      6.45635711    -13.56860433
  H     13.20999072     11.03403163    -16.16304818
  H     19.14265821      5.49593283    -16.28241735
  O     18.56149673      8.35491921    -12.37417189
  H     15.00168540      7.28011255    -14.05754797
  H     17.91754237      6.43770047    -16.33049893
  O     17.12722211      9.86621182    -16.33765789
  H     14.47500778      6.73101004    -12.72186023
  H     16.58507860     13.28790394    -15.76030101
  O     11.07436556      7.87007219    -14.84383302
  H     18.21922319      7.48772814    -12.64104116
  H     16.05854993     12.38236846    -14.62397350
  O     16.80427262      9.10697740     -9.28329301
  H     18.96446228      8.24341595    -11.50522640
  H     15.88183823      9.22715936    -15.21526715
  O     14.06653788      7.82925822    -11.24918108
  H     17.96158898      9.64052076    -15.89586695
  H     14.33949462      9.13253170    -15.12577996
  O     16.10536435      9.57067790    -12.11429408
  H     16.92465871     10.79295829    -16.16364109
  H     12.90945600     11.90283779    -14.11341644
  O     13.95950091      6.94067881    -17.75826011
  H     11.37564650      8.30308150    -14.02380957
  H     12.13053614     12.54780058    -12.94277837
  O     15.36598770      6.63999890     -9.08736716
  H     10.12211164      7.84982780    -14.81047561
  H     18.25435866      6.26905155    -10.09350645
  O     16.75382544      7.26920942    -17.30915148
  H     16.23417296      8.34943402     -9.09423858
  H     17.58851954      5.56802120    -11.29892784
  O     12.93491019      5.81030539    -15.51930684
  H     16.48831064      9.47483414    -10.11546741
  H     12.30257018     10.05892657    -12.76278564
  O     18.61166827      6.07991195    -15.74738546
  H     14.77223541      8.44832199    -11.48507854
  H     12.65158729      8.69712869    -12.09476376
  O     16.22040010     12.42438054    -15.58300596
  H     14.36343878      7.37014196    -10.45388818
  H     19.16720937      8.79458041    -14.08419335
  O     15.15205954      8.98785417    -14.62743151
  H     15.69926759      9.46070558    -12.98947977
  H     19.22985036      7.89217654    -15.32330739
  O     12.75766869     11.85962314    -13.15185476
  H     16.99971367      9.20593080    -12.18633076
  H     16.58026251      5.98611482    -13.31119002
  O     17.55952251      5.64461544    -10.33628241
  H     13.63602078      6.50791455    -18.54416034
  H     17.94371653      5.83369710    -14.03457417
  O     12.02346779      9.13899602    -12.67990741
  H     13.60763800      6.44418957    -16.99729460
  H     19.89830308      8.15002309     -9.05822305
  O     19.29357712      8.81315031    -15.04214073
  H     16.11481347      6.20155115     -9.53064958
  H     18.41999180      8.39708331     -9.44857183
  O     17.53260640      5.89462011    -13.16253583
  H     15.11923077      6.08920752     -8.34969323
  H     15.89063042     11.41402293    -12.50311791
  O     19.22596543      7.90558910     -9.68795754
  H     15.81748223      7.13051061    -17.48953514
  H     14.61293040     12.16538334    -12.89677994
  O     15.57703447     12.21821002    -12.93383154
  H     16.86618570      8.21748287    -17.15501384
  H     12.23633136      8.81474439    -15.93827600
  O     12.97696795      9.22253478    -16.40711680
  H     13.59270785      5.85201522    -14.81213082
  H     13.33025828      8.54919887    -17.00212877
          69
 Energy    -248.03740970030032     
  O     18.51136699     13.92725508    -16.48643148
  H     18.66046276     14.82672879    -16.76446296
  H     20.36987108      9.54593945    -17.74441981
  O     19.13112426     12.14345316    -12.08167980
  H     19.38757468     13.53436883    -16.31421651
  H     17.81223895     10.61025145    -16.26876096
  O     20.83431906     12.61844920    -16.07822044
  H     18.44275585     12.45473051    -12.68414349
  H     17.06548807      9.70039975    -15.23510419
  O     17.15649004      7.25602237    -18.31692498
  H     18.86003506     11.26770358    -11.77579480
  H     18.90162112     11.20355110    -18.04430451
  O     16.08530914      8.42407031    -12.13677645
  H     21.10174821     12.34899939    -15.19066985
  H     18.06357708     12.40534109    -17.52395362
  O     15.69506583      8.57172086    -14.84810479
  H     20.86965390     11.83173502    -16.63611158
  H     20.66037535     10.10674348    -13.94141077
  O     19.42738312      5.28908428    -12.44021099
  H     16.94240712      6.82317305    -19.13926084
  H     19.30914296      9.73441730    -14.62461119
  O     14.62237401     11.99808306    -13.91149617
  H     16.69343154      8.11264108    -18.32415117
  H     17.05945502      6.51569748    -16.60929945
  O     16.81189911      5.79278007    -12.86134676
  H     16.95584824      8.79587773    -11.93669038
  H     18.02311528      6.49264155    -15.39714901
  O     15.94958795      9.68110288    -18.30262739
  H     15.42198487      9.07517013    -11.86435014
  H     19.06759236      8.70007304    -11.12647301
  O     19.81990711      7.21043238    -10.41102535
  H     16.11115978      7.76415314    -15.17693185
  H     19.13700418      9.33382836    -12.53222506
  O     20.61115246     10.46604424    -17.95141283
  H     15.75956344      8.55495318    -13.88263842
  H     22.18220783     11.89633190    -12.90736640
  O     17.81757440     10.29354175    -15.35770177
  H     19.56576665      4.34603914    -12.40630896
  H     20.63538052     11.96436608    -12.92770493
  O     17.99874626     11.51694659    -17.89690530
  H     18.46648234      5.42893493    -12.53359417
  H     14.37318728     11.02166880    -12.44915383
  O     20.06092970      9.37506329    -14.12619492
  H     15.50838365     12.37761426    -13.98025154
  H     13.86159524     10.95104852    -11.00120252
  O     17.10151427      6.34882276    -15.65915442
  H     14.43741174     11.57705522    -14.75783981
  H     19.94377904      7.67466340    -14.57507236
  O     18.65997438      9.37082408    -11.69185026
  H     16.72155237      5.83711183    -13.82123190
  H     19.80150047      6.21353434    -14.08836972
  O     21.42142959     11.74574825    -13.46142826
  H     16.48022993      6.63340805    -12.51611784
  H     13.17850871     10.01845235    -16.21563994
  O     14.28947435     10.43481260    -11.67880331
  H     16.60021546     10.39654860    -18.30887655
  H     14.57707680      9.61815020    -15.69244106
  O     19.76361671      6.76931582    -14.87453324
  H     15.25587766      9.95139817    -17.68955803
  H     17.64763105     13.32613233    -14.88191324
  O     14.09483369     10.28677650    -16.21155315
  H     19.75568547      6.51866628    -11.08629313
  H     17.49370071     11.84636182    -14.50397786
  O     17.33002708     12.74585732    -14.18052155
  H     19.69092578      6.77186605     -9.57291908
  H     18.94555701      7.68244999    -17.82605969
  O     19.81707849      7.92107830    -17.48733885
  H     21.24266294     10.42413827    -18.66530892
  H     19.92840724      7.43683587    -16.66038025
          69
 Energy    -248.03725128234424     
  O     -4.36203531      8.97340576    -13.70532848
  H     -3.49241309      8.72773251    -13.36641331
  H     -4.81149688     11.85657074     -7.52813637
  O     -6.49285421      7.13793627    -12.94517437
  H     -4.98087952      8.28822999    -13.42771555
  H     -7.94089901     13.33069031     -8.68295149
  O     -5.52249737      5.89634158    -10.57011956
  H     -6.89618635      6.76206988    -13.72516070
  H     -7.04652088     12.07070801     -8.74485970
  O     -5.15799858     11.31252462    -12.55784869
  H     -7.16221423      7.71120391    -12.53823656
  H     -6.02282119     10.02134219     -7.37697575
  O     -5.30687485      8.67411482     -6.33663206
  H     -5.87782566      6.11751842    -11.43930759
  H     -5.73988850     10.38220091     -8.84791199
  O     -5.13870341      5.17997868     -7.78017218
  H     -4.69097571      6.39044603    -10.51158306
  H     -1.65856385      9.45327854    -12.19281726
  O     -4.58789257      9.98933988    -10.14807178
  H     -4.48123058     11.99874116    -12.54408568
  H     -0.98499601      8.31003270    -12.98826616
  O     -3.34176984      7.58434052    -10.41198238
  H     -4.84506554     10.56372260    -13.08838301
  H     -3.80955326      6.39649605     -7.58243764
  O     -3.23053403     13.27021575    -11.98755299
  H     -6.03227240      8.03872387     -6.28303067
  H     -3.18649389      7.33982785     -8.63349701
  O     -7.31399715      6.75552878     -6.69165769
  H     -4.60424260      8.22766813     -6.82832735
  H     -6.86933135     11.38823015    -12.03910032
  O     -1.40279184      8.98443774     -6.83777689
  H     -5.32903257      5.19668785     -8.72671054
  H     -7.71144401     11.89622044    -10.84801104
  O     -4.00995011     12.33428887     -7.27182878
  H     -5.91089591      5.56094434     -7.34409395
  H     -8.18132951      9.66499910    -11.64763487
  O     -7.34786132     12.84540243     -9.25122990
  H     -3.76189871     10.32863178     -9.77365660
  H     -9.35811049      8.68640796    -11.85020311
  O     -6.18865454     10.69570264     -8.04694486
  H     -4.77138749     10.46691884    -10.96691512
  H     -2.01384979     11.82530657    -11.75274898
  O     -1.78487583      8.54635958    -12.52684046
  H     -3.89063194      8.38238997    -10.34766340
  H     -1.60555808     10.99437694    -10.52782087
  O     -3.26723803      7.19206192     -7.68039570
  H     -2.70164700      7.75944848    -11.11077012
  H     -2.75847187     11.45179116     -8.28816643
  O     -7.73614809     11.31100073    -11.61302670
  H     -3.01746480     14.11458148    -12.37581270
  H     -1.86238883     10.19525568     -8.19731825
  O     -8.41964062      8.72112801    -11.68303874
  H     -3.69372123     13.45683244    -11.15088543
  H     -6.83155188      6.87549520     -9.69901254
  O     -1.52475931     11.03649819    -11.49109691
  H     -7.48606276      7.03619170     -7.61015796
  H     -7.89396781      7.94533072     -9.99794849
  O     -2.24534917     10.82663372     -8.81819272
  H     -8.14745524      6.47246945     -6.32667661
  H     -4.09204844      9.90383154     -5.46213832
  O     -7.53376300      7.40093600     -9.29153985
  H     -0.57962647      8.58178635     -6.57381617
  H     -2.58033374     10.03315475     -5.66992619
  O     -3.34621972     10.50132436     -5.31679736
  H     -2.00985149      8.25903305     -7.06552058
  H     -4.28283659     13.42140331     -8.81143061
  O     -4.61210330     13.68366117     -9.68059724
  H     -3.71075471     11.88995559     -6.46510654
  H     -5.56193632     13.51858115     -9.65405764
          69
 Energy    -248.03720927398822     
  O     14.93152483     10.07820759    -11.04872813
  H     14.13316264      9.65142714    -10.70705296
  H     16.51616775      7.98718599     -7.84670587
  O     16.86400314      4.18996489    -11.95131293
  H     14.76359425     10.26761069    -11.98256227
  H     13.66429334      8.08086241     -5.83293056
  O     13.29576500      5.05663648    -10.93892840
  H     16.29064000      4.81935401    -12.40806032
  H     12.87340829      7.58086909     -7.05481329
  O     13.33722408      6.48206117     -8.55004901
  H     16.27519402      3.64530496    -11.41670880
  H     20.02914222      8.35988720     -7.30982523
  O     13.18232549      7.73035457    -14.29539137
  H     13.90080661      5.46987708    -11.57345368
  H     18.50552860      8.25703431     -7.53754875
  O     14.99764157      2.91846196    -10.18138909
  H     13.72527699      4.23092657    -10.68347083
  H     12.49911733      9.55933740     -9.24735162
  O     14.40714061     10.21511253    -13.75673113
  H     13.13690555      5.91230111     -9.30463320
  H     12.87328198      8.07477186     -9.44313956
  O     19.20633789      7.78570600    -10.68400673
  H     14.28861524      6.66451837     -8.62644291
  H     15.63265962      6.82030750    -12.38467791
  O     16.44452555      4.07774108     -8.21476659
  H     12.60865846      7.58313363    -13.52122661
  H     14.51954150      6.64244826    -13.45342143
  O     16.59206837      7.90814407    -11.41447539
  H     12.68550086      7.45041449    -15.05975639
  H     11.93594951      7.89700827    -11.36027397
  O     16.00325520      6.76811026     -8.98648663
  H     14.88400317      1.98768232    -10.00798853
  H     12.07171950      6.38951052    -11.66434505
  O     16.78466473      8.69230820     -7.23563083
  H     15.52214817      3.27884628     -9.44367958
  H     15.92975494      8.03356406     -5.81411117
  O     12.87842027      8.25641361     -6.36494890
  H     13.98254600      9.37996808    -14.00225023
  H     15.74948189      7.80167239     -4.29512115
  O     19.36306945      7.88811887     -7.80408228
  H     14.90032780     10.49600204    -14.52427292
  H     15.38835163     10.68117814     -9.31285764
  O     12.64662954      8.88314299     -9.92112356
  H     19.32614061      7.89325421     -9.73302497
  H     14.50618735     10.84668487     -8.06629685
  O     15.06753126      6.16366544    -12.82341766
  H     19.32911573      6.84342495    -10.86242992
  H     19.17576758      4.96695706     -9.16148316
  O     11.77472320      7.22803934    -12.03920708
  H     15.93439536      4.33777685     -7.43352708
  H     19.14955479      5.97385396     -7.99478519
  O     15.36845144      7.60434630     -5.14690353
  H     17.37643699      4.30660650     -8.08255967
  H     14.03797922      5.37341128     -6.95505460
  O     15.42502428     10.77907686     -8.35191108
  H     17.53933480      8.01002857    -11.24289641
  H     14.95971871      5.86121311     -5.82770102
  O     18.98063985      5.05137971     -8.21828795
  H     16.13855018      8.75190738    -11.28458995
  H     11.99548593     11.19440600     -7.28372438
  O     14.70800316      5.07600201     -6.33010147
  H     16.24190707      7.06898854     -9.87314966
  H     12.67512362      9.81145606     -7.12554848
  O     12.62295886     10.60346934     -7.69068952
  H     16.28464390      5.85332782     -8.86948094
  H     19.96063954      4.47869635    -11.53794200
  O     19.30680926      4.96204863    -11.03931577
  H     16.37748585      9.50842021     -7.56308447
  H     18.43869338      4.68354130    -11.38007854
          69
 Energy    -248.03713680571758     
  O     15.07293120     10.56639277    -10.75685024
  H     14.84397279     10.94601116    -11.61556899
  H     14.11471962      4.08740125    -14.64881858
  O     13.51547490     10.35464781    -16.70220498
  H     14.32456738     10.03214279    -10.45005218
  H     12.52066074      8.52131808    -10.72601971
  O     17.31941745     10.45848755    -14.10304941
  H     13.68511625     11.25956687    -16.41183043
  H     13.64413724      7.85189062     -9.91984854
  O     12.67836111      5.59886073    -11.71672406
  H     13.16489533      9.89199063    -15.93026459
  H     17.82224707      6.61880541    -14.77258210
  O     17.01837842      7.30919897     -8.54420585
  H     16.41941685     10.65259846    -13.80642875
  H     18.56198392      6.65096219    -13.43765962
  O     16.86090978     11.88022850    -16.48581547
  H     17.90343728     10.57123287    -13.34423806
  H     15.35046005     12.61905396    -15.98982894
  O     15.95737003      8.16976946    -11.97995118
  H     13.38411271      5.71456420    -11.06935382
  H     14.33439578     13.78022391    -15.85253230
  O     14.64647320     11.14892544    -13.42681582
  H     13.08381174      5.14367775    -12.46612955
  H     13.58303989      8.37784520    -14.34534700
  O     18.75605612      7.87052648    -12.06203765
  H     17.23709186      7.17617586     -7.62503405
  H     12.30919058      8.78379567    -13.56931082
  O     18.98362915     10.65082824    -11.78347463
  H     17.62698673      6.75169891     -9.06250345
  H     15.72083886      9.42458207    -18.80082706
  O     16.48733462      4.82518638    -12.13554897
  H     16.64676012     11.15205642    -17.08198914
  H     14.97980719      9.79257002    -17.49345854
  O     14.21708853      4.59504739    -13.84818873
  H     17.19585952     11.46468042    -15.67880273
  H     11.79015718      7.06433654    -12.04058767
  O     13.18979314      8.68877980    -10.04989083
  H     15.71509996      9.03015919    -11.61693279
  H     10.46026870      7.85614705    -12.02439494
  O     18.10507428      6.05253360    -14.04578903
  H     15.62036984      7.51111210    -11.36015891
  H     15.55335269      5.65667872    -10.77398250
  O     14.46687544     12.85739225    -15.65522923
  H     14.53613783     11.85069616    -14.07986866
  H     15.61593489      6.54144379     -9.49325380
  O     12.93456605      9.08954869    -14.23653331
  H     14.02869569     10.44473655    -13.67001092
  H     17.95385598      5.20580805    -10.78598960
  O     15.85087215      9.56873472    -17.86737987
  H     19.09914511      8.76749588    -12.00090907
  H     18.77721899      6.50095033    -10.83532891
  O     11.40022169      7.94950054    -12.15751400
  H     17.79038608      7.96684614    -12.06134477
  H     15.27249198      7.50176487    -13.48406793
  O     15.02410982      6.22341360    -10.18937905
  H     19.65334780     11.29589493    -11.57359002
  H     15.60666417      7.45891854    -14.98162638
  O     18.48795561      5.79303659    -10.23988241
  H     18.49360230     10.47681965    -10.95922425
  H     17.37899646      9.16458743     -9.21670102
  O     14.93133144      7.20078375    -14.34047548
  H     17.06701206      5.22275825    -12.80533193
  H     16.63090943     10.34878789     -9.86594722
  O     17.50708643     10.04594561     -9.58190056
  H     15.73405036      4.49125808    -12.63533627
  H     17.25168726      8.90851325    -15.15012850
  O     17.07217499      8.17027098    -15.75086948
  H     14.46705820      5.49739329    -14.11431318
  H     16.74114176      8.56216599    -16.56878817
          69
 Energy    -248.03713254863965     
  O     18.92129607     10.60788816     -7.98975195
  H     19.03146558     11.41620575     -7.49655809
  H     18.49430554      8.95286036     -7.10414438
  O     17.98934280      5.08749629     -9.87009728
  H     19.74116215     10.47424247     -8.49915913
  H     17.80211131     10.16749078     -9.37149375
  O     18.06542449      4.24452795    -13.53969017
  H     17.27733640      4.83750031    -10.47336243
  H     16.56064106      9.36847249     -9.89739742
  O     18.87780977      6.95947466    -13.55721348
  H     18.28805967      5.96764144    -10.15150367
  H     21.33654511      9.18637400     -9.45161897
  O     22.36864993      5.65763079    -11.54327244
  H     17.29001173      4.26752125    -12.95357852
  H     21.08041444     10.30409340    -10.47478733
  O     15.97644606      4.59518839    -11.79821438
  H     17.86548145      3.62282710    -14.23495868
  H     16.51542300      9.19967291    -14.98436728
  O     21.49375343      7.84261922    -13.18313208
  H     18.59151240      6.04197542    -13.63974138
  H     17.33187190      9.47455443    -13.69626245
  O     20.83521788      6.89583785     -6.83533062
  H     18.17792975      7.52513108    -13.90762566
  H     19.54059192      4.06760470    -12.27261001
  O     14.38004834      4.71200898     -7.58583976
  H     23.12868376      5.08756582    -11.62115570
  H     19.50312314      4.34103206    -10.76968363
  O     21.31360952      7.31990081     -9.53503358
  H     21.58484429      5.07926952    -11.53931901
  H     13.61194861      6.95814608    -11.52608402
  O     18.85206949      7.52761821    -10.78333630
  H     15.79146079      5.51807902    -12.03617915
  H     13.17491720      5.88707109    -10.52271811
  O     18.32148277      8.07092518     -6.75825818
  H     15.22480881      4.28875621    -11.27679463
  H     14.41008644      7.77545222     -9.79891202
  O     17.36406469      9.83558206    -10.16583107
  H     21.89376813      7.13238203    -12.66848273
  H     15.70824596      7.50632790     -8.98268589
  O     21.09433662     10.11878220     -9.52790215
  H     20.62479743      7.51290009    -13.45202363
  H     15.56386534      7.61750214    -11.43147062
  O     16.85190742      8.78637577    -14.19452913
  H     21.66273564      6.80001981     -6.37105497
  H     15.85369236      7.81339312    -12.95365963
  O     20.10785824      4.14600221    -11.49764659
  H     21.06378196      6.99096269     -7.77333024
  H     21.25454436      9.48624579    -12.65175468
  O     13.07401491      6.82272139    -10.73577859
  H     15.15533312      5.29792657     -7.58492667
  H     21.65463133     10.96724687    -12.83192535
  O     15.30214196      8.10409654     -9.62577630
  H     14.00431488      4.77266466     -6.71166653
  H     17.13550631      6.95215468     -7.38024780
  O     15.44343317      7.22689181    -12.30877808
  H     21.82656079      6.76518387    -10.13309566
  H     17.10780827      5.81335504     -8.44582847
  O     21.05015070     10.39447149    -12.36641656
  H     20.44115261      7.41709080     -9.94735522
  H     19.18263932     10.53578862    -12.61530644
  O     16.55226238      6.34149376     -7.85645098
  H     18.87718234      7.40404417    -11.74060370
  H     17.87348666     10.42243044    -11.79817980
  O     18.22159098     10.52615028    -12.69587834
  H     18.37056118      8.34151467    -10.59166319
  H     13.97430790      4.24550960     -9.21542943
  O     13.76106444      4.06011683    -10.14707719
  H     19.18571746      7.64003686     -6.68510872
  H     13.12848751      3.34623748    -10.14519797
          69
 Energy    -248.03694152325534     
  O     18.49037840      5.88091932    -10.55848178
  H     17.62841142      5.57488343    -10.24584024
  H     14.02381086      6.73127518    -17.27537774
  O     17.06583957     10.23472823    -13.50497835
  H     18.64919053      6.75009917    -10.17232709
  H     15.98784184      7.78308869    -14.90593263
  O     12.89630693      8.55882862    -12.13388677
  H     16.72394956      9.69262980    -14.22910552
  H     15.41496418      8.30169755    -16.24948583
  O     10.80435620      6.51436451    -15.56837551
  H     16.48096713     11.00133976    -13.44986625
  H     12.19032326      6.97883567    -12.70636701
  O     14.96418175     12.13120829    -13.16713688
  H     13.70830437      8.08994386    -11.88380868
  H     11.47553570      6.21273574    -13.85497851
  O     16.61972490      9.59778123    -10.77794679
  H     13.08670647      9.04405217    -12.94974544
  H     15.41572047      6.55510281    -10.89788803
  O     19.43455988      8.86602626    -12.66529655
  H     11.17127458      7.36925731    -15.85753421
  H     15.76838992      8.06340155    -11.13710313
  O     12.31412483      4.49690568    -10.72371296
  H      9.90181613      6.48356066    -15.87383523
  H     18.85322112      5.93409655    -12.23950973
  O     13.23008865      5.34720881    -16.55795713
  H     14.86109360     13.07835605    -13.13996170
  H     19.69009724      5.46616000    -13.45754094
  O     19.11716303      8.63386377     -9.97488799
  H     14.62997112     11.78523612    -12.31962486
  H     14.35787581      9.48652914    -14.77098335
  O     12.04792929      8.77261123    -16.41183845
  H     17.44777882      9.34567162    -10.35142656
  H     13.96027059     10.82797461    -14.11114915
  O     14.37943672      7.57264702    -17.61437418
  H     16.82745291      9.80954080    -11.69986517
  H     13.53875720     10.15003254    -11.15001627
  O     15.79353549      8.58835895    -15.40908055
  H     18.73880612      9.39765254    -13.07203119
  H     14.96095737     10.47805390    -10.64890832
  O     11.99372022      6.09569625    -13.04941098
  H     19.32671640      7.96455552    -12.99395080
  H     13.06951307      6.10899596     -8.00291117
  O     15.26683574      7.31105294    -11.47989158
  H     12.06446494      5.03163233    -11.48821160
  H     13.03571527      5.19145917     -9.23872966
  O     19.00753331      6.07636640    -13.19234052
  H     13.01643341      3.91202681    -11.03169847
  H     15.97538718      6.76298499    -12.99170545
  O     13.60336664      9.99327400    -14.43522943
  H     12.33815976      5.61282102    -16.30054818
  H     17.26553991      6.24154604    -13.69721844
  O     14.12029173     10.88107192    -10.90777983
  H     13.62283321      4.95808996    -15.76659824
  H     15.55988013      4.33771156    -10.54718751
  O     13.60525058      5.51297323     -8.51872297
  H     19.33927841      8.75286850    -10.91688737
  H     15.16739060      5.20124381     -9.31841902
  O     16.32779381      6.42576733    -13.83074623
  H     19.85303596      8.97132163     -9.47136748
  H     14.54975074      3.60350812    -12.59479576
  O     15.86566401      5.05339449     -9.97513845
  H     12.78824508      8.47280458    -16.95326284
  H     14.78642863      2.23067295    -11.92433350
  O     14.68323994      3.16084759    -11.73997929
  H     12.44107612      9.32179173    -15.72007446
  H     13.46510632      5.19105561    -13.64394697
  O     14.21091290      4.67190856    -13.98254463
  H     14.57170510      7.43729687    -18.53838960
  H     14.98649589      5.25169018    -14.00460671
          69
 Energy    -248.03678562353218     
  O     -1.38017423      4.01903915      2.67635868
  H     -1.10768481      3.14450513      2.97660505
  H      0.60362418      1.38358612      0.34515668
  O     -2.84605896      6.47522965     -0.32272605
  H     -2.19123585      3.93217000      2.15304816
  H     -0.51987944      4.12762002     -2.52944602
  O      4.57327640      5.58463671      0.75658714
  H     -2.57895762      7.10977104      0.35273909
  H     -0.89208353      2.62632228     -2.51465593
  O      2.26668773      6.65170834      1.91176454
  H     -2.03423110      6.20080867     -0.77734413
  H      1.15511879      8.00884682     -1.18355869
  O     -0.52463629      5.64609346     -1.53453789
  H      5.46743761      5.89502137      0.64318051
  H      1.43285387      8.39675631     -2.65724254
  O      1.95119447      2.50762951     -0.12312241
  H      4.16395604      5.58060376     -0.12793418
  H     -2.17166298      0.55691035     -2.03165974
  O      0.55199735      4.71811683      0.79269747
  H      3.12813805      6.33124091      1.61501164
  H     -2.85228079      1.83144863     -1.49574341
  O     -1.79428315      8.17106623      1.66861345
  H      2.18024160      6.46688689      2.85599043
  H      2.62236519      3.19665677      3.30657017
  O     -0.91078413      6.55249978      3.63844419
  H     -0.13817646      5.29811974     -0.71417390
  H      1.23721285      2.68763396      3.78207286
  O     -3.53818011      4.08752820      1.03539321
  H      0.06452491      6.34489759     -1.84408517
  H     -3.92325011      5.60367599     -3.17119495
  O      0.77427849      8.45187266      0.42457841
  H      2.17095955      2.66437412     -1.04782785
  H     -3.88058837      5.80468428     -1.64838587
  O     -0.21015428      0.95851091      0.65372117
  H      1.47924860      3.29590327      0.19016999
  H     -0.45459550      0.76094470      3.80466424
  O     -0.36002171      3.28363640     -2.97675023
  H      1.13306118      5.37684250      1.19326067
  H     -0.24684949      1.26966272      2.35888604
  O      1.34621218      7.65065545     -2.07090600
  H     -0.10492020      4.46240590      1.45392541
  H      2.72092553      2.75914007     -3.56473460
  O     -1.99788355      1.38100916     -1.58023912
  H     -2.23259187      8.91420464      2.07523563
  H      1.37736377      3.23231146     -2.95916813
  O      1.92932168      3.32877153      3.97123611
  H     -1.47906075      7.60490209      2.39683652
  H      2.14101048      6.09116497      5.39996482
  O     -4.28214433      5.26967406     -2.35195134
  H     -1.16643181      5.65073653      3.39282422
  H      1.77725911      4.97939234      4.38751803
  O     -0.25511879      1.54092735      3.29449834
  H     -0.04067214      6.46596000      4.04241283
  H      4.15420319      3.89542759      1.58376103
  O      2.34274546      3.23549521     -2.83068600
  H     -3.35580743      4.94496266      0.62629656
  H      3.23603925      2.72790519      1.20512041
  O      1.73479671      5.94046426      4.55143511
  H     -3.86754499      3.52597386      0.32795701
  H     -5.33650109      2.46308774     -1.35696121
  O      3.77775564      3.07675302      1.92629715
  H      1.33523873      7.91381106      1.00233757
  H     -4.39367715      3.61255190     -1.77683420
  O     -4.42024338      2.72898885     -1.36992168
  H     -0.10966033      8.42374425      0.80755705
  H      2.68949258      6.33415689     -1.82984576
  O      3.32595087      5.63354543     -1.64397824
  H     -0.86588638      1.11598927     -0.03315567
  H      3.00882180      4.84277025     -2.09670635
          69
 Energy    -248.03640688987278     
  O     19.10998430      8.09306179    -11.72610471
  H     18.37308127      8.11069153    -11.10258411
  H     17.28472749     13.24675110    -14.07968660
  O     16.87055423     10.91833079    -11.16782268
  H     18.97949876      7.29398439    -12.25037369
  H     12.45657884      9.57798915    -15.91816457
  O     11.57023060     10.22108947    -14.57068831
  H     16.78489673     10.02853885    -10.79689686
  H     12.56389073      8.89056938    -17.30220005
  O     15.79107751      6.79106496    -12.76380858
  H     17.53577827     10.86418987    -11.86913644
  H     15.43418871     10.54617580    -12.22342519
  O     13.25923229      6.83742100    -11.52848590
  H     11.46238621      9.66565624    -13.78868528
  H     13.97717669     10.12206224    -11.92629716
  O     18.37457943      5.85291666    -13.39566911
  H     11.98710408     11.04172753    -14.28373354
  H     15.21408759     11.88615466    -16.64258827
  O     13.38941853     12.40648499    -13.92627312
  H     15.53876703      7.33335100    -13.52524368
  H     13.93603462     11.01437873    -16.66833904
  O     17.53068853      9.38146219    -15.61858993
  H     16.62751612      6.36495457    -12.98690812
  H     13.77131331      8.14726739     -8.20945162
  O     16.53646619      8.25947160    -10.47124822
  H     13.50938937      7.12174959    -10.64142343
  H     13.58986976      8.95387348     -9.51729601
  O     17.09198003     11.83762757    -16.88652610
  H     14.08978933      6.68038282    -11.99648602
  H     15.77391315     13.78889630    -12.26210786
  O     19.16440634      7.17495326    -15.63910720
  H     18.66680724      6.26653288    -14.22641612
  H     14.96709923     13.52872790    -13.54263448
  O     18.00964230     12.83437344    -14.57370090
  H     18.73950302      4.97183594    -13.38323482
  H     16.09498114     12.41837269    -10.61803102
  O     13.08319119      9.26640782    -16.59700603
  H     13.64389441     12.35980688    -14.86188443
  H     16.04634233     13.67993359     -9.72541013
  O     14.60626667     10.27647242    -12.64110308
  H     13.86411394     11.68474596    -13.48401522
  H     13.74557487     13.01659117    -10.82170892
  O     14.26737831     11.89482904    -16.45639271
  H     16.65197636      9.07944868    -15.34716741
  H     12.87094579     12.85956459    -12.08208879
  O     14.06733109      8.20774778     -9.11392112
  H     17.40722736     10.17386182    -16.15569443
  H     18.95880109      9.62592346    -12.71045978
  O     15.81905808     13.84545608    -13.22356908
  H     16.27429483      7.78865250    -11.27625192
  H     18.27180290     10.04108208    -14.03287245
  O     15.59704610     13.23430005    -10.43927164
  H     15.78316794      8.20347894     -9.87146126
  H     10.43174427      8.07250292    -12.20859143
  O     12.85986754     12.77067268    -11.12124170
  H     17.48468926     12.28579945    -17.63054548
  H     11.96141401      7.86103295    -12.11495065
  O     18.63915111     10.39146985    -13.21063713
  H     17.43753993     12.27058505    -16.08301936
  H     12.05371863      9.68467950    -11.06898910
  O     11.26915311      8.51961979    -12.30451039
  H     20.00633982      7.40991622    -16.02144876
  H     12.65567373     11.07580802    -10.64402368
  O     12.72194340     10.11652487    -10.52121594
  H     18.60720965      7.96705448    -15.71206993
  H     14.84405487      9.20108222    -14.02385432
  O     15.04813831      8.57535940    -14.73675772
  H     18.37602811     12.14036865    -14.01420202
  H     14.38055639      8.69416094    -15.42281235
          69
 Energy    -248.03628708813244     
  O     20.29808903      9.71359683    -14.04558847
  H     20.61060615      8.79863779    -14.00808205
  H     17.23227544      9.38862723    -14.74014760
  O     21.33326140      5.81678817    -11.43768824
  H     20.01740145      9.91992461    -13.14213395
  H     17.50570372      7.84035379    -13.23684020
  O     15.65531827      8.02793945    -10.13195110
  H     20.95858062      4.95773087    -11.65410783
  H     17.26483814      6.30853208    -13.15120378
  O     12.70585803      9.93299074    -13.13470283
  H     21.23740848      6.32479220    -12.25680057
  H     14.20620497      7.58546895    -13.64296566
  O     18.54712729      9.24276438    -16.02271306
  H     16.02408040      8.82477168    -10.54120345
  H     14.53907055      7.31856237    -15.12964264
  O     11.67613757      8.00961204    -11.26125065
  H     16.39770445      7.43203601     -9.97063582
  H     18.72423552      6.84060963     -9.83836591
  O     17.65042403      3.93705019    -11.45054293
  H     13.18049652      9.39743373    -13.78220679
  H     17.94722400      6.69877905    -11.15945519
  O     14.07979047      6.75835434    -12.02267299
  H     12.21420995      9.30617592    -12.58865357
  H     19.91931336      4.19590361    -14.35148673
  O     20.00290592      3.46988675    -12.67150667
  H     19.21203760      9.47149281    -15.34620941
  H     20.40681788      4.04890702    -15.80826757
  O     15.86361138      5.06531830    -13.30618886
  H     18.69721790      9.82505948    -16.76241983
  H     13.57149414     11.00256345    -12.02788317
  O     20.53362048      6.97474668    -13.81697300
  H     10.82104861      7.79219938    -10.90125804
  H     13.73101437     12.40459797    -11.39541474
  O     16.66461449      9.30964447    -13.96369916
  H     12.16255992      8.48955281    -10.56576611
  H     20.78078968      7.01497049    -10.26833135
  O     17.89263265      7.00929121    -12.93348521
  H     17.72080047      4.69239707    -10.85129315
  H     20.98970999      7.87731907     -9.00279492
  O     14.28855320      8.01353131    -14.50913634
  H     16.95660233      4.16176488    -12.08503346
  H     19.69892687      9.21594792    -10.79471017
  O     17.92184992      6.46246665    -10.21793487
  H     14.65313068      7.18122898    -11.36585476
  H     18.50832786     10.10734229    -11.23499100
  O     19.92594053      4.62792839    -15.22117608
  H     13.17595594      7.00165336    -11.78929300
  H     15.00522295      5.36260717    -16.74844130
  O     14.02725477     11.50083788    -11.32632925
  H     19.14653195      3.60807559    -12.22765393
  H     16.25871106      6.06220772    -16.16834417
  O     20.36669238      7.68790717     -9.69938780
  H     20.30199911      2.60171731    -12.41307150
  H     18.23113496      7.35237702    -16.22859250
  O     19.43808410      9.91382289    -11.40500778
  H     15.17285308      5.52851668    -12.80929041
  H     18.59891579      5.86508489    -15.95775821
  O     15.32850894      5.83514592    -15.98631458
  H     15.64719230      5.16733334    -14.24046079
  H     14.08866040      8.86354422     -9.53585953
  O     17.92886874      6.44244688    -16.34010747
  H     19.62674042      7.02641917    -13.47260821
  H     13.48863074     10.20353571     -9.99192176
  O     13.26872129      9.37750565     -9.54325382
  H     20.53123392      6.23315018    -14.43143918
  H     15.79803160     10.84997293    -11.32656653
  O     16.59061539     10.30552636    -11.40749487
  H     15.81948011      8.93158462    -14.24248884
  H     16.64430953     10.04419288    -12.34010478
          69
 Energy    -248.03616487484243     
  O     13.71668701      8.88540636    -17.49951824
  H     13.05646732      8.96642003    -18.18239303
  H     21.46509337      7.85167709    -11.75881733
  O     16.29321135      7.05261256    -11.99410862
  H     13.29845798      9.17557336    -16.66914518
  H     17.60622715      8.61081105    -17.92537290
  O     18.71132539     12.01183856    -13.50267018
  H     16.19622647      6.10771807    -12.15643881
  H     19.01885954      8.15740094    -17.48196500
  O     20.50119639      8.41104143    -16.28610852
  H     16.49342123      7.45196035    -12.85565755
  H     16.24774375      7.63727886    -15.10430269
  O     13.70642041      5.63163915    -14.11674141
  H     18.93761938     12.93400459    -13.41888139
  H     16.87099036      9.00277888    -14.67802705
  O     14.74626065     11.28050259    -10.51695432
  H     18.29306902     11.74427091    -12.66214743
  H     13.18239263     10.22400826    -14.60444835
  O     14.18197818      8.78782768    -11.63984912
  H     21.32974767      8.05720733    -16.60286116
  H     12.39355544      8.90575403    -14.48562307
  O     16.71720384     10.77890541    -15.01890853
  H     20.14140939      7.75908405    -15.66017790
  H     19.08562184      8.35763517    -11.13682514
  O     17.74482359      4.58778699    -14.99631251
  H     14.12910637      5.99090344    -14.91042617
  H     17.59155426      7.99006556    -11.04262550
  O     19.31742379      6.81335392    -14.38069177
  H     14.39337445      5.13315324    -13.66046104
  H     11.28575434      7.22378068    -12.91992530
  O     15.99071104      4.40034897    -12.92835326
  H     14.50723682     10.36955261    -10.75651264
  H     12.67858747      6.83767390    -13.47563969
  O     20.61926364      7.97298373    -12.18159503
  H     14.35517110     11.44396260     -9.66246104
  H     20.04218990     10.74372515    -13.82439010
  O     18.23440820      7.87350574    -17.96193531
  H     14.90443132      8.14469504    -11.66738975
  H     20.61401749      9.68777716    -14.81183750
  O     16.85768484      8.05737803    -14.48361625
  H     13.41102515      8.36663416    -12.04025608
  H     16.61036146     11.29936048    -10.94267954
  O     12.65732587      9.59187026    -15.11094578
  H     15.91817783     10.92692790    -14.49488482
  H     17.79589852     10.30516203    -10.99950748
  O     18.25750688      8.60505314    -10.70864388
  H     17.43429897     11.25399190    -14.58079293
  H     17.54086957      6.32718582    -17.78420919
  O     12.14349130      7.57901465    -13.13580548
  H     17.51676170      4.77517234    -15.91437725
  H     17.11608426      5.00151107    -18.46240824
  O     20.69907925     10.04260303    -13.91908381
  H     18.41768662      5.24077608    -14.75920559
  H     14.47497969     11.56184036    -12.66171848
  O     17.51509689     11.19748242    -11.25454501
  H     18.46485481      7.27641065    -14.41964480
  H     14.43862918     10.07844896    -12.95921702
  O     17.07789359      5.48022679    -17.63939102
  H     19.74930826      7.07310226    -13.55720298
  H     16.53234228     10.32348532    -16.80722439
  O     14.45203207     10.94383020    -13.39687697
  H     16.60846167      4.42516810    -13.68106518
  H     15.46903786      9.64802726    -17.69274826
  O     16.39665151      9.90889818    -17.67006690
  H     16.09059817      3.54322188    -12.52318271
  H     14.61148373      7.45546033    -16.76440607
  O     15.06385246      6.78973380    -16.23098508
  H     20.69632737      8.76441400    -12.74579330
  H     15.66873681      6.29898350    -16.80211523
          69
 Energy    -248.03609538099477     
  O     13.41830673     12.12631027    -16.17644560
  H     13.79744428     11.35097364    -16.62373099
  H     13.71479212      6.63157678    -19.61583918
  O     11.41856947      7.72128014    -13.77274906
  H     14.15096345     12.70105836    -15.90366500
  H     12.99666861     12.85196659    -17.92965165
  O     13.48983597     11.13646838    -13.53523792
  H     11.21349878      7.62008690    -14.71116776
  H     12.12579305     12.37801950    -19.09783173
  O     10.98742559     10.77423377    -16.21770395
  H     11.07087377      8.58820067    -13.53027405
  H     17.14473204      9.09106220    -18.54976866
  O     11.21553734      7.98637159    -16.61990907
  H     13.45167826     11.50085436    -14.43008469
  H     16.39448689      7.89465485    -19.17287451
  O     17.07686067     10.07190753    -16.91171776
  H     14.32293369     11.44570756    -13.15772962
  H     14.13785457      9.85384533    -18.32986168
  O     13.89791365      7.34421008    -16.41903534
  H     11.78323793     11.32508440    -16.21352972
  H     14.18373633      9.02551329    -17.01996273
  O     15.61851575     13.40873892    -15.29944568
  H     10.70139990     10.72722735    -15.29727077
  H     15.99229384      8.92664647    -14.06722376
  O     13.51351731      9.71606726    -20.03746905
  H     11.17988692      8.94306343    -16.48050897
  H     16.93245009      9.61946946    -15.09736363
  O     14.11060943      8.37081726    -13.87288765
  H     10.86029235      7.83280201    -17.50357776
  H     14.86776269      6.67246973    -17.74676879
  O     15.93693642     10.57802617    -21.10660436
  H     17.34435194     10.99171379    -17.03485061
  H     15.74652896      5.55905766    -18.35633258
  O     12.94479578      7.03893154    -20.02465429
  H     16.12504024     10.04520484    -17.09585815
  H     15.79481355     12.10040129    -20.02992549
  O     12.88679235     12.92883785    -18.88583364
  H     14.08311827      7.59748804    -15.50409489
  H     14.69766118     12.91017338    -19.29438446
  O     16.89001394      8.69267752    -19.39214499
  H     12.94235682      7.43843737    -16.54649586
  H      9.78194387      7.40179860    -19.80971584
  O     14.36258240      9.89808571    -17.39156364
  H     15.90729572     12.98850538    -14.48026890
  H     11.31456938      7.47867419    -19.60926316
  O     16.73942379      9.52977288    -14.15423258
  H     16.32183969     13.27397366    -15.94793739
  H     16.80818767     12.86462322    -18.10458208
  O     15.33823855      6.39914506    -18.55255258
  H     14.19244581     10.17905961    -20.54237134
  H     18.20000005     13.35903344    -17.64109514
  O     15.65358592     12.78972233    -19.37003332
  H     12.75433770     10.28906452    -19.87777451
  H     11.73348699     10.76865834    -13.30024208
  O     10.46401699      7.86324216    -19.32921858
  H     13.24022655      7.97872267    -13.70481391
  H     10.32909823     10.97673364    -12.68972824
  O     17.45252399     12.83187829    -17.37264577
  H     13.97008019      9.32118066    -13.77137907
  H     16.67401869     12.01121509    -12.17020540
  O     10.79733581     10.52150491    -13.38537032
  H     16.34595054     10.49335393    -21.96326458
  H     16.43763343     11.03327901    -13.34776007
  O     16.13451837     11.86644703    -12.94232214
  H     16.32229494      9.88604997    -20.53821111
  H     10.88182835     10.79402424    -18.13285162
  O     11.02535203     10.69958112    -19.08391776
  H     13.19099799      7.97047869    -20.14059458
  H     10.73718250      9.80095975    -19.28971820
          69
 Energy    -248.03607882094474     
  O     12.41659569     10.58856251    -15.43462597
  H     12.75590951      9.85848532    -15.97465439
  H     21.09842143      8.42787208    -13.76658286
  O     16.12574717      6.69779908    -13.13739800
  H     13.11361544     11.25164672    -15.41638049
  H     14.66178114      8.83175454    -15.00691904
  O     17.15101331     10.74093387    -11.41471261
  H     16.88981644      7.08559500    -12.69027254
  H     15.61268086      8.23498160    -13.92219970
  O     17.00149414     10.69305272    -15.68478558
  H     15.39718320      6.68558234    -12.49788760
  H     11.60685914      9.67197328    -14.18681210
  O     14.06781533      9.35682377     -8.78063130
  H     16.30008040     10.97052056    -11.81278456
  H     10.26646060      9.16994005    -13.60509165
  O     13.95154685      6.88524656    -11.44404204
  H     17.01712144     10.72953866    -10.45863684
  H     17.18969562      8.58535108     -8.90230313
  O     14.73873264     11.17281385    -12.72231216
  H     17.66996049     11.00584602    -15.05500994
  H     17.67866683      7.68317958    -10.04970116
  O     16.79834671      6.57536294    -17.14275105
  H     16.44102695     10.06563486    -15.19821237
  H     11.99336253      7.30172228    -13.85245040
  O     14.83471160      6.58619752     -8.80944187
  H     13.55961476      9.47523450     -9.59387684
  H     12.90608812      6.44030159    -12.97509759
  O     18.66273437      8.27099052    -15.81864579
  H     14.19351115      8.40513679     -8.67960441
  H     18.30198016     11.18075178    -12.84437265
  O     14.69514260      6.00876754    -15.42232240
  H     13.64891265      7.80397923    -11.41961821
  H     19.40590667     10.45207708    -13.62799587
  O     20.18429522      8.65157036    -13.61554413
  H     14.19088760      6.64996321    -10.53924476
  H     18.89875718      8.22254170    -12.35241176
  O     15.29773342      9.05691665    -14.31726739
  H     14.64574547     11.85896963    -13.39003169
  H     17.73781000      9.02439966    -11.71427724
  O     11.21258701      9.08048071    -13.52187834
  H     14.88777765     10.35738252    -13.23218733
  H     15.64386969     10.10137715     -8.69841653
  O     17.29811558      7.66194216     -9.16186457
  H     16.98621402      5.84020061    -17.72206057
  H     16.67816018     10.94713800     -7.91701338
  O     12.49209341      6.47704241    -13.84783117
  H     16.04375992      6.30648429    -16.59487703
  H     16.37821132      8.35959675    -17.80940072
  O     18.79040957     11.19298530    -13.67860801
  H     15.75410134      6.89021325     -8.91896559
  H     16.41001628      9.84237642    -17.37059054
  O     18.09810001      8.13190678    -11.82133940
  H     14.84581421      5.90254770     -8.14554939
  H     12.25381863      9.37764274    -12.01484967
  O     16.57026698     10.40311042     -8.69240909
  H     18.18844480      9.10494351    -15.90680881
  H     13.53287831     10.20032310    -11.74900324
  O     15.96521863      9.22038842    -17.95843189
  H     18.09704945      7.59872411    -16.21594264
  H     14.79276850     13.24265983    -15.76189479
  O     12.96059820      9.51823073    -11.37138964
  H     13.82616698      6.02764280    -14.99206690
  H     15.54778147     11.92122387    -15.53178589
  O     14.73749944     12.40349539    -15.30982773
  H     15.32060303      6.10172609    -14.68782889
  H     13.90295691      7.53061108    -16.35330666
  O     13.71240482      8.44593031    -16.58683622
  H     19.69957251      8.42772432    -14.43065622
  H     14.41020547      8.74025997    -17.19261328
          69
 Energy    -248.03593866549897     
  O     16.88913953      7.12615766    -16.07896112
  H     16.06586681      6.80567111    -15.67880038
  H     19.54542128      4.08946385    -13.91925670
  O     20.43422829      6.23760388     -9.93196965
  H     17.34326024      6.35704852    -16.44596543
  H     17.18239035      3.20479515    -12.09518994
  O     16.20750645      9.82787186    -11.39232824
  H     21.25364490      6.15121502     -9.45284802
  H     18.23942161      4.29170363    -11.77979896
  O     14.84248356      9.93799648    -13.79267137
  H     20.21683345      7.18870235     -9.94561404
  H     16.70503884      8.88197639    -16.18366200
  O     18.06414374      4.70903733    -16.82684925
  H     17.12485709      9.78827019    -11.69376987
  H     16.21881868     10.08318529    -17.01980762
  O     12.30335888      7.65267291    -11.55394914
  H     15.67632429      9.96413475    -12.19082361
  H     17.29773777      6.87753385    -13.02993613
  O     17.88623067      5.30212535     -9.05853112
  H     14.09927355      9.34866384    -13.96471578
  H     17.80793910      7.20157465    -14.45034435
  O     14.78945816      7.70940184    -10.38855806
  H     15.37855969      9.93506388    -14.59347042
  H     12.50133369      7.90397719    -13.26890481
  O     19.68130570      5.21576200    -12.43390798
  H     18.54665558      4.33237064    -16.06877471
  H     11.86554938      8.31346988    -14.61718664
  O     16.13224747      7.08331477     -8.04157734
  H     18.50443966      4.39651367    -17.61268179
  H     16.89105113      9.85045641     -9.53763643
  O     15.86103283      6.03639083    -12.31209990
  H     13.15153127      7.67726804    -11.08159892
  H     16.95205857      8.79389193     -8.41880643
  O     19.21304786      3.56256575    -14.65802779
  H     11.63258012      7.54317731    -10.88521176
  H     16.40038176      2.65757974    -14.28379424
  O     17.41067514      3.89927595    -11.46512817
  H     18.77468832      5.61295906     -9.27353735
  H     16.66961921      1.24923554    -13.70410759
  O     16.52479903      9.83620403    -16.15014916
  H     17.64231872      4.68994176     -9.76358992
  H     19.01636681      9.11683242     -9.43275611
  O     18.07179618      7.18591332    -13.52357794
  H     15.27837530      8.48068624    -10.71644324
  H     19.57641698      9.18086340    -10.86420245
  O     12.69065565      8.06097364    -14.21108610
  H     15.15607324      7.47587518     -9.52669404
  H     18.61408978      8.76869073    -12.86863216
  O     17.37400135      9.59958425     -8.74056239
  H     20.06312140      5.54710076    -11.61123238
  H     18.78151744     10.27866253    -13.18979299
  O     16.91258585      2.16702379    -13.61652113
  H     19.22310252      5.96057249    -12.85136119
  H     15.04474263      6.05371894    -13.87667781
  O     19.75273180      8.82047013     -9.98498785
  H     15.93888429      6.83889156     -7.14086297
  H     13.91484362      6.73613583    -14.68557595
  O     18.80028152      9.63238416    -12.47257925
  H     16.77359797      6.43137458     -8.37778828
  H     16.42088152      3.94742943    -16.11556896
  O     14.66317148      6.13410389    -14.76571917
  H     16.30191559      5.26002502    -11.94343307
  H     15.18992410      4.42592142    -15.32313615
  O     15.69857208      3.63800636    -15.55578810
  H     15.48289514      6.55294298    -11.58939010
  H     18.02455886     12.20599768    -14.53636026
  O     18.40091855     11.33376295    -14.63990922
  H     18.54418329      2.97492463    -14.28609047
  H     17.78244485     10.84478369    -15.20137939
          69
 Energy    -248.03592121642237     
  O     12.43553049     11.22260313    -16.06726717
  H     11.78226249     10.89614331    -15.42635252
  H     17.90529768      9.20067782    -12.99082520
  O     15.17591704      7.64788017    -13.23652632
  H     12.80778266     12.04178442    -15.72382596
  H     16.65778952      9.42069854    -16.67546104
  O     16.28272617     11.56874800    -11.18175500
  H     14.88844349      8.37307999    -13.81265324
  H     17.42111417      9.91358152    -15.40888780
  O     16.55716166     12.84353005    -15.21931254
  H     15.74672189      8.04108992    -12.56094913
  H     13.77389838     10.13475982    -15.27044874
  O     13.22455837      7.59308867    -16.76334903
  H     15.45053852     11.65004323    -11.67201943
  H     15.32491097     10.03451977    -15.22490290
  O     12.46463945     10.03501581     -8.84352790
  H     16.97711040     11.92934257    -11.74623105
  H     11.06253174     10.12822318    -13.28551675
  O     12.64149879      7.36967632    -12.24869605
  H     16.62968739     12.02896016    -15.73558918
  H     10.92910485      9.09475999    -14.42292398
  O     13.95690821     11.56402672    -12.65652640
  H     15.62032372     13.06129816    -15.16391314
  H     16.34116767      7.21062760     -8.38780276
  O     17.35366526      6.98773336    -14.88374178
  H     12.90579067      8.24665305    -17.40355789
  H     15.08676820      7.59000054     -9.21108550
  O     13.38142368      7.39222025     -9.52316077
  H     14.18328056      7.59130348    -16.84622425
  H     10.75881957      6.65877899    -15.11049750
  O     16.11666391      7.68931566    -17.20202895
  H     12.04570910     10.35892494     -8.05091901
  H     12.08709685      7.36189321    -15.46114567
  O     18.29965566      9.55447341    -13.80092000
  H     13.39967658     10.30426436     -8.79859171
  H     17.61862797     12.59843497    -13.86405639
  O     16.86202958     10.20222650    -16.14572981
  H     12.11864180      7.22369768    -13.04633801
  H     18.90637016     12.98356038    -13.09777100
  O     14.51959953      9.87528881    -14.71605318
  H     13.56494002      7.36516296    -12.54394867
  H     16.67872403      9.80055565    -11.33640728
  O     10.83562819     10.03447926    -14.21882772
  H     13.21834874     11.12661992    -12.21288420
  H     16.73047031      8.42628533    -10.62133023
  O     16.01315160      7.83248360     -9.03146712
  H     14.24053081     10.95523287    -13.35744034
  H     15.53533686      9.68935903     -8.75937367
  O     11.39874293      7.28239538    -14.77662954
  H     16.58562545      7.01330094    -14.29441800
  H     15.57420672     11.03786121     -9.50964037
  O     18.19902344     12.34447396    -13.12394288
  H     17.92951938      7.69664695    -14.57771548
  H     11.98671998     10.08659630    -10.63358358
  O     16.90722089      8.86813878    -11.46122572
  H     13.05397474      7.23052661    -10.41757799
  H     12.19512582      9.09758400    -11.80797813
  O     15.13021035     10.56487276     -8.79426044
  H     12.94821134      8.20013255     -9.22137398
  H     13.77405634     12.84750746    -13.89477955
  O     11.94142700     10.00783585    -11.59429520
  H     16.58408789      7.32815785    -16.42826383
  H     13.41729328     14.23465498    -14.47841425
  O     13.75440182     13.37324400    -14.71267806
  H     16.40537934      7.18523337    -17.95883923
  H     11.74721171     10.02974411    -18.98652772
  O     12.37499532      9.69500957    -18.35168388
  H     18.45243672     10.48798594    -13.60736568
  H     12.37180535     10.32698735    -17.61355293
          69
 Energy    -248.03554093458484     
  O     -3.75008567     -0.79594223     -1.59477748
  H     -4.26599330     -1.01297700     -2.36763891
  H     -1.44968328     -3.71165166      2.07501489
  O     -2.06670897     -0.75985696      1.97600092
  H     -3.95171453     -1.48444331     -0.93575466
  H      3.95020670     -1.03819216      2.38129036
  O     -5.64751910     -2.95185180      2.57522637
  H     -1.94604511     -1.67715620      1.70221920
  H      2.46353521     -0.62922633      2.30967991
  O      2.17311706     -2.67786169      4.87176629
  H     -3.00475278     -0.62668432      2.16555371
  H     -3.59365237     -2.95552416      5.17948501
  O     -4.21677431     -2.81716382      0.13065000
  H     -4.98072868     -3.20305799      3.24008196
  H     -2.88910410     -3.88454817      4.18450125
  O      2.13611291     -3.80838209      1.37451184
  H     -6.46619123     -3.36071286      2.84178826
  H     -3.72360936     -0.30078678      5.75605418
  O     -2.83675194     -1.78848655      6.51809260
  H      2.04934232     -3.58462613      4.56602621
  H     -3.65310243      1.12368446      5.13797579
  O     -4.74215117     -0.28827761      2.67130488
  H      2.52535233     -2.19314752      4.11430658
  H     -1.83937729     -1.21048452     -1.73250622
  O     -0.69130137      0.83173951      0.17849242
  H     -3.36328517     -3.14654188      0.44698949
  H     -0.63486694     -0.52532465     -1.08508507
  O      0.28999619     -3.54658166     -0.76183197
  H     -4.81672883     -2.90500913      0.88013058
  H      0.76570407      0.74549711      2.85007839
  O     -0.71197863      0.54480128      3.97200912
  H      1.57224133     -3.66359321      0.60612616
  H      0.81872934      0.84115002      1.32009740
  O     -1.73479560     -3.41976635      1.19833129
  H      2.46457689     -2.94300801      1.65264573
  H     -3.64609885      2.21375356      1.01931263
  O      3.06362628     -1.37899691      2.46829879
  H     -2.80681480     -2.00440695      7.44682611
  H     -4.35639968      1.41578122      2.12511372
  O     -3.75715364     -3.54153994      4.43121179
  H     -1.91757777     -1.79753015      6.20076816
  H      1.74458336     -4.75253417      2.76042288
  O     -4.22906132      0.36067031      5.26770004
  H     -5.18187358     -1.14099503      2.59031535
  H      1.93734749     -6.02710829      3.62011502
  O     -0.88257670     -1.27609454     -1.64215979
  H     -4.64921189     -0.10390202      3.62052635
  H     -3.05369026      2.53278771      3.45246253
  O      1.36985362      0.68824066      2.09759352
  H     -1.16050018      0.27219515      0.81898444
  H     -2.64483675      3.47256541      4.61005594
  O     -3.90935316      2.25606405      1.94436945
  H     -1.37284852      1.39811443     -0.19932598
  H     -0.82304142     -3.21279048      4.29738660
  O      1.50094196     -5.18034660      3.60255743
  H      0.34616640     -4.16484198     -1.48612953
  H     -0.22930138     -4.54529279      3.78336792
  O     -2.61631341      2.56420300      4.32254202
  H     -0.07873425     -2.72320834     -1.12794308
  H     -0.42061924     -0.91218697      4.94680554
  O     -1.03590217     -4.01513175      3.80041147
  H     -1.18699459      0.04660886      3.28706785
  H      0.57027934     -2.05021076      5.34244677
  O     -0.35628999     -1.77348412      5.38478646
  H     -1.25765147      1.31461915      4.17112897
  H     -3.41408405      2.39712476     -1.53142727
  O     -3.15772233      1.83353320     -0.80519850
  H     -1.00759285     -3.55439472      0.57974425
  H     -3.40643241      0.92884205     -1.05426546
          69
 Energy    -248.03552929861905     
  O     17.64704821      8.04855863    -11.36606704
  H     18.25954923      7.77105848    -12.05880154
  H     16.59388446     10.87650218     -7.17192567
  O     19.22647725      7.43878760    -13.58629262
  H     18.03289937      8.79829291    -10.88914670
  H     14.68374335     10.37844298    -11.81099595
  O     12.13797870      8.85873069    -12.36370582
  H     18.59011830      7.56615067    -14.31430280
  H     13.76908218     10.24511544    -10.55451808
  O     15.38932064      7.10916530    -10.07979180
  H     19.75332299      6.67655366    -13.81035435
  H     18.15215472      9.76568956     -8.28953892
  O     18.41746869     10.33468004    -10.05597643
  H     12.06200253      9.00780634    -13.31468326
  H     17.35392207      8.74675044     -7.43124242
  O     20.11145964     11.81718011    -11.70570220
  H     12.67014708      9.60013254    -12.05097730
  H     16.30986867     11.11752379    -13.65990600
  O     16.19536503     12.04708689     -9.91650221
  H     16.19257231      7.37862609    -10.54840906
  H     16.87181232     12.54920116    -13.46350661
  O     17.48181936      8.01079466    -15.55948486
  H     15.64417790      7.00911425     -9.15369993
  H     15.37557916      7.92470144     -7.14649469
  O     13.90914187      6.62165638    -12.52047400
  H     19.09966470     10.82082757    -10.53576510
  H     16.08094925      6.64260298     -6.64155722
  O     14.79989723      7.92287055    -14.75836974
  H     17.63312884     10.90224615    -10.04463181
  H     16.53644377      9.08192497    -12.33462545
  O     12.55911512      9.64321898    -15.07564007
  H     20.99871570     12.16079326    -11.64815903
  H     15.50942018      9.02459377    -13.50134063
  O     15.86939162     11.52909845     -7.16977725
  H     20.07817173     11.25122160    -12.49820214
  H     19.37498140     10.43840673    -14.61233906
  O     14.02065775     10.84379289    -11.27144723
  H     16.02377903     11.99623991     -8.96722288
  H     19.79842654      9.24696654    -13.73263254
  O     17.77578625      9.61405777     -7.41211081
  H     15.39306725     11.75119552    -10.36391667
  H     18.18357066     11.30618811    -16.75097232
  O     16.45152550     11.96454811    -14.11119110
  H     16.53388183      7.90602087    -15.40131147
  H     17.47193240     11.28967694    -15.37775395
  O     16.07848695      7.28115293     -7.34997675
  H     17.62237274      8.93176173    -15.81145765
  H     13.95339737      8.16533545     -9.82033987
  O     15.88671694      9.60063799    -12.82347176
  H     13.22741660      7.29807437    -12.40761261
  H     12.50898405      8.51940881    -10.25877072
  O     19.91861541     10.19640928    -13.85305464
  H     14.41230992      6.60861094    -11.69824097
  H     18.53666595     12.89980987    -11.91991845
  O     18.07040555     10.78861780    -15.95801993
  H     14.52069842      7.31177798    -14.05770126
  H     17.15563392     13.03407011    -11.24868641
  O     13.20254515      8.75367700     -9.63649864
  H     14.02705126      8.44171550    -15.01227904
  H     14.55911417     12.07729786    -14.15155955
  O     17.65922625     13.28544791    -12.03360457
  H     12.91746476     10.48721017    -14.74791846
  H     13.59814721     11.80313552    -12.98935519
  O     13.63243174     11.88988864    -13.94876603
  H     11.96865268      9.85515880    -15.79374359
  H     14.61039478     10.06959561     -7.06224788
  O     14.17955948      9.20646626     -7.04211515
  H     16.01442234     12.10139088     -6.42061169
  H     13.67669113      9.12903831     -7.86423675
          69
 Energy    -248.03541809112670     
  O     15.18745533      9.91210950    -10.54228812
  H     14.76470279     10.37278214    -11.28131855
  H     12.77338507      8.64920733     -8.29893330
  O     16.47231148     10.62091961    -14.29204372
  H     14.49222050      9.54617232     -9.98124607
  H     18.02952547      5.98854028    -15.09913657
  O     13.38032336      5.06895670    -12.17801139
  H     17.25516786     10.74855020    -13.74488451
  H     19.15405225      6.43574540    -16.06779604
  O     18.20488424      7.83977267     -8.64354602
  H     15.69754590     10.73640023    -13.72292733
  H     13.78178758     12.82015237    -15.00570276
  O     14.79290171     11.93229544    -16.20498767
  H     12.82089411      5.79548539    -11.86101305
  H     13.16207320     14.06129013    -14.33707661
  O     16.11384697      7.59911910    -11.83095220
  H     13.75007250      5.38958884    -13.00722559
  H     12.93371750      8.99312579    -14.93424220
  O     14.11260824     10.91840669    -12.82183981
  H     18.12615237      8.69509928     -9.10230855
  H     13.44806238      7.93606204    -13.95322485
  O     18.63538496      7.93361051    -12.90884637
  H     18.70787395      8.00376426     -7.84939784
  H     14.58988386      8.92286151    -16.54842740
  O     18.79434939     10.63825786    -12.65881454
  H     14.33267201     11.13448898    -16.49240302
  H     13.40417521      8.93719533    -17.53914047
  O     17.08767219      4.82364365    -14.25169370
  H     15.52715983     11.61895114    -15.66069435
  H     12.15458890      8.04402792    -12.18377289
  O     17.83081518      3.99530853    -11.64135588
  H     15.96542448      6.82928135    -11.26506393
  H     12.48431017      7.84912046    -10.67909168
  O     13.32222410      8.49156975     -9.06249401
  H     15.80084532      8.38306763    -11.36282994
  H     15.45217803      6.21683526     -9.03117948
  O     18.47097111      6.76536107    -15.49046331
  H     13.75947475     11.73988278    -13.19165480
  H     16.37897483      7.28630048     -8.42186146
  O     13.29639554     13.12493134    -14.22062059
  H     13.61518237     10.18245464    -13.20498447
  H     16.25490081      4.63889089    -10.85415934
  O     12.89581950      8.72705638    -14.00735117
  H     18.65196667      7.54936783    -13.79281399
  H     14.74583670      5.02194810    -11.04221244
  O     13.70994660      9.30152212    -16.71157668
  H     17.74220832      7.80762819    -12.54847639
  H     18.85191002      6.68170928     -9.98838555
  O     12.10391647      7.41872161    -11.45447299
  H     18.84763025      9.67034257    -12.75025328
  H     19.17067726      6.79885640    -11.49191921
  O     15.46709774      6.97366368     -8.42681482
  H     19.66071944     10.98477590    -12.85790166
  H     15.25780586      6.99407440    -13.24603986
  O     15.54141141      5.18958708    -10.51353470
  H     16.22300286      5.24068957    -14.16186195
  H     15.26093377      7.17973165    -14.78114060
  O     19.15849160      6.17750124    -10.75274460
  H     17.32526137      4.48002607    -13.38102972
  H     16.90177537     10.20682797    -10.08394742
  O     14.86569638      6.65857898    -14.06981280
  H     18.36253693      4.73515890    -11.29517603
  H     18.23708565     10.45822328    -10.80653870
  O     17.86317984     10.18461328     -9.96282618
  H     18.27152911      3.19043903    -11.38235907
  H     16.33682335      9.14447713    -15.29578933
  O     16.17369253      8.36779170    -15.85483129
  H     14.05609502      7.92096671     -8.76870382
  H     16.99705922      7.86740809    -15.89333656
          69
 Energy    -248.03530171437967     
  O     13.80997900     14.44656968    -11.52827892
  H     14.38144886     14.52409189    -12.31074322
  H     12.86089162     12.09114257    -15.68898169
  O     14.46694865     10.55014608    -18.01483473
  H     13.17756097     15.15889918    -11.58027940
  H     13.92490348     12.16235508    -17.60543381
  O     14.83200906      8.57040802    -12.41845745
  H     13.84600877      9.90827022    -17.65014680
  H     13.18626236     13.48654398    -17.90926680
  O     18.01358183     14.60875419    -12.00113300
  H     15.24570161     10.49769583    -17.44173982
  H     18.48619094     12.98019933    -12.81772663
  O     12.90210778      8.97506692    -16.20214558
  H     14.53439767      7.69072297    -12.15444467
  H     18.08796417     11.48904146    -12.81411643
  O     13.69877892      6.02639277    -12.05117614
  H     14.04539435      9.13440616    -12.44215893
  H     12.99840836     11.19672311    -11.18327849
  O     13.92024221      5.65136295    -14.73218794
  H     18.60339742     15.31718692    -11.75804104
  H     13.42924668     12.66841247    -10.93886844
  O     15.25499727     11.77339781    -13.82912545
  H     17.44837791     14.43413556    -11.22693323
  H     15.97925922     10.91752063    -15.28259995
  O     12.44975729     10.06451927    -12.52496931
  H     13.73736836      8.62937199    -15.85277602
  H     17.22877067     10.99790924    -16.16444898
  O     15.31620902      8.08133581    -15.13050314
  H     12.76350890      9.83211374    -15.77672439
  H     11.85964155      7.59363840    -15.87548757
  O     18.38664304     12.44341533    -16.00035136
  H     13.82634901      5.23061172    -11.54257274
  H     10.76209257      6.55904009    -16.21953056
  O     12.78606068     11.48044227    -14.94704819
  H     13.80644587      5.78328783    -12.98859413
  H     14.89834234     11.46944603     -9.74688259
  O     13.64199468     13.01046376    -17.21952494
  H     13.05559446      5.88567835    -15.09290274
  H     15.71731203     10.94238259     -8.54025587
  O     18.58823378     12.15299287    -13.30502064
  H     14.52344479      6.35487051    -15.00836029
  H     16.51083236     14.65523661    -13.12067150
  O     13.41738211     11.78792598    -10.54434133
  H     15.43216260     12.72037014    -13.77161806
  H     15.79486565     14.57851754    -14.51129906
  O     16.43434930     10.47292406    -16.01309259
  H     15.72110754     11.35641038    -13.09382820
  H     16.54731347     10.79308872    -10.97585040
  O     11.41989364      6.78232594    -15.56647206
  H     12.34951102     10.55884062    -13.34702840
  H     16.22043864      9.69464708    -12.01274551
  O     15.79970994     11.38117744     -9.38212756
  H     11.93935973      9.24434739    -12.60368750
  H     11.25881648      7.27104994    -13.72162211
  O     15.65391549     14.54876481    -13.55241362
  H     15.21630939      8.26452808    -14.18505082
  H     12.04237819      6.98461775    -12.43033774
  O     16.75950459     10.48537272    -11.86672001
  H     15.87587491      8.78018821    -15.49294737
  H     15.36935733     14.30090463    -10.39056068
  O     11.36608087      7.56058461    -12.80714597
  H     19.25701551     12.58569006    -16.36204668
  H     16.18031171     13.19177723     -9.69593156
  O     16.24083192     14.09587754    -10.02977422
  H     18.49676853     12.33737021    -15.03772345
  H     16.82435884     13.59262291    -16.25977806
  O     16.07505127     14.19744710    -16.19684596
  H     13.63502241     11.55593493    -14.48077587
  H     15.31081204     13.76304614    -16.59486383
          69
 Energy    -248.03529902444248     
  O      0.44742569      0.98675593      3.09295803
  H     -0.07342189      1.72835569      3.43612512
  H     -5.60208664      2.30350250      5.57227620
  O      1.29977894      4.21690223      5.46287339
  H     -0.17222115      0.41018358      2.62569101
  H     -2.10223311      0.80575423      6.52788066
  O     -0.26654453     -4.43214410      5.87160151
  H      1.87192397      3.59129981      4.98319894
  H     -3.10946925      1.91359359      6.12834079
  O      1.56640086     -1.84325772      8.97628721
  H      1.70815229      5.07538308      5.39405429
  H     -4.61366302      0.27260564      2.65371905
  O      1.66997558     -3.08758519      4.37099155
  H     -0.41736722     -3.97085153      6.70356159
  H     -4.35861648     -0.75402847      3.77222168
  O     -1.53777387     -0.66860453      2.09075736
  H      0.51566286     -4.03562572      5.46112661
  H     -0.60990644      2.39143223      7.35103668
  O     -0.05839241     -3.10645015      2.23403280
  H      2.42843512     -2.20475535      9.16784133
  H      0.62675083      3.23623762      6.96910022
  O      2.71353686      2.33553147      4.09961407
  H      1.72301749     -1.01046070      8.50396023
  H     -3.93431280      2.93936969      3.67906142
  O      4.14208969      0.53635506      5.83038688
  H      1.18594980     -3.11274202      3.52989690
  H     -2.48516061      3.24311146      3.28198500
  O     -2.97505040     -1.87559314      4.18269060
  H      2.54870594     -2.71890240      4.21150909
  H      0.99406932     -1.55086187      4.96120648
  O     -3.58552675      1.05213967      1.19909757
  H     -2.00390543     -1.06561816      2.84092914
  H      0.61048657     -0.10500386      4.49885782
  O     -4.74184774      2.07981969      5.22726406
  H     -2.18498977     -0.10785555      1.64550585
  H     -2.38948999     -5.35905807      3.70562901
  O     -2.20328836      1.76260876      6.42724459
  H     -0.48826498     -2.27401339      2.00146864
  H     -1.42803795     -4.53088338      4.59323333
  O     -4.93136191     -0.01689175      3.51720554
  H     -0.74895846     -3.65359558      2.62917693
  H      1.46198028     -0.01583440      6.63983440
  O      0.29514097      2.59949641      7.61468441
  H      2.05924263      1.81165362      3.61716573
  H      1.39456348      1.19852411      7.60217276
  O     -3.37630238      3.14389637      2.91903067
  H      3.24299621      1.71634069      4.61435072
  H     -1.21532347     -3.35972876      9.06286605
  O      0.64739974     -0.69948372      5.25940866
  H      4.90838487      0.84426751      6.30839796
  H      0.02392380     -2.57712564      8.57304036
  O     -2.03223885     -4.48430364      3.82972303
  H      3.40690619      0.51070569      6.46617251
  H      4.10368206     -0.92703539      4.66018091
  O      1.90434021      0.40134750      7.39707582
  H     -2.61724242     -1.60188988      5.03834981
  H      4.37912526     -1.34223240      3.20967865
  O     -0.82493802     -2.95875764      8.29039341
  H     -2.76064479     -2.80943120      4.06483878
  H     -0.25623402      3.59346337      4.65486944
  O      4.03491944     -1.66646548      4.03990989
  H     -3.48777906      1.85068279      1.74846945
  H     -1.37271956      2.58268278      5.04111606
  O     -0.96133989      3.04305597      4.29411954
  H     -3.92570919      1.33894925      0.35604590
  H     -0.90514485     -0.88189922      6.03806299
  O     -1.74799007     -0.98616319      6.50925403
  H     -4.86204054      1.29435063      4.66321328
  H     -1.58364200     -1.63499883      7.20288406
          69
 Energy    -248.03515284107638     
  O     16.09430511      8.52675344    -15.76602600
  H     16.62437836      8.44631988    -14.96232564
  H     16.86823569      9.31795560    -17.11637247
  O     14.72480758     12.06088787    -15.40382127
  H     15.22138175      8.82488246    -15.48336529
  H     15.88956592     12.72413465    -11.30449441
  O     19.46108825     11.00317222    -10.61080708
  H     14.16045273     11.28493939    -15.31231877
  H     14.62449752     12.90231905    -10.43879626
  O     19.99888358     13.25706120    -12.27299727
  H     15.54893003     11.82489822    -14.95100286
  H     18.75181113     15.67972433    -13.80484983
  O     14.27898491      9.87803135    -12.19132566
  H     19.74714619     11.84064368    -10.99378060
  H     19.68311701     16.70671024    -13.12117205
  O     16.95988802     10.31133809     -9.66992283
  H     19.75416794     10.32447163    -11.23043906
  H     20.31540930     11.29173077    -14.86630008
  O     17.54437883      8.68202322    -13.32342772
  H     20.35980208     12.66400030    -12.94685796
  H     21.70628295     11.91180259    -14.55553230
  O     16.12337255     12.44232137    -17.85286455
  H     20.05574547     14.15264577    -12.62686530
  H     16.47597517      8.85993520    -10.42389663
  O     18.25365538     13.76460699    -16.68124653
  H     14.81548217      9.20121827    -11.76160074
  H     16.03344096      7.37502089    -10.37514648
  O     18.94143056     11.16416319    -15.95831768
  H     14.52382199     10.71428058    -11.77720997
  H     19.93731520     14.61725877    -16.39457615
  O     13.59455025      9.56652389    -14.78828913
  H     16.36136759     11.02317458     -9.92281463
  H     20.48872533     15.32426079    -15.14555725
  O     17.34153134      9.80480593    -17.81495242
  H     17.85301053     10.59372342     -9.91909714
  H     17.55893705     14.62114401    -15.24920505
  O     15.18802841     12.24247892    -10.83556303
  H     18.48577327      8.77644127    -13.13050914
  H     16.24140677     15.11500132    -14.59008174
  O     19.65920512     15.82610863    -13.48762616
  H     17.10507845      8.39557548    -12.51177695
  H     22.07315323     13.76257251    -15.67099833
  O     20.97995029     11.40199154    -14.16903273
  H     15.52977823     12.34834732    -17.09635045
  H     23.52941182     13.30468899    -15.86507763
  O     16.15892229      8.11227346    -10.96518554
  H     16.50135838     11.56385868    -17.98254998
  H     20.99269395      8.59584297    -12.61826353
  O     20.75590575     14.91294667    -15.97626331
  H     18.64859029     12.92127659    -16.41975183
  H     20.59380853      9.95345740    -13.23763613
  O     17.19971733     15.06701697    -14.46746760
  H     17.49260923     13.50879188    -17.22110612
  H     17.08803644     10.41818579    -13.67899332
  O     22.72284230     13.08906620    -15.40585843
  H     18.56023925     10.65728493    -16.68485533
  H     17.12620560     11.94799548    -13.32798450
  O     20.26421628      9.20516989    -12.71064089
  H     18.24696578     11.22515271    -15.28243157
  H     14.48411959     13.81203505    -15.03569073
  O     17.00781988     11.31051936    -14.04122555
  H     13.80684501      9.67447038    -13.84296572
  H     13.84231337     15.15536591    -15.41764547
  O     14.49968372     14.76452224    -14.84690229
  H     12.74350556      9.13938801    -14.83133082
  H     17.11988045     14.02054458    -12.97196825
  O     17.23051593     13.40492049    -12.23418058
  H     17.46628607      9.19459713    -18.53664265
  H     18.18333397     13.31466170    -12.09613377
          69
 Energy    -248.03506184463819     
  O     15.11640879      2.26436998    -14.23630064
  H     14.60090898      1.46193763    -14.24621809
  H     21.30135281      6.63533225    -15.56834535
  O     16.80146178      8.55946802    -12.84470128
  H     14.82970376      2.79282167    -15.00388666
  H     16.71793062      6.60068599    -17.17075734
  O     19.36572936      5.55152320    -17.81842527
  H     16.01875731      8.44216101    -13.40063356
  H     17.07457227      7.88545766    -17.94610745
  O     18.18371200      2.95897973    -17.96578563
  H     17.53051682      8.73187527    -13.45907688
  H     15.67310724      5.19098370    -15.75678735
  O     12.89378779      7.32496012    -10.59285038
  H     19.07695144      4.63430209    -17.89389794
  H     17.04795131      5.57487934    -15.12163459
  O     14.98983712      4.51039020    -12.54683116
  H     18.58828082      6.08661092    -18.03073677
  H     12.34129205      5.73348622    -14.81136610
  O     14.73187863      7.99095471    -14.61341866
  H     18.53701617      2.17310828    -18.37415997
  H     11.70007741      6.07145724    -16.16710663
  O     18.54628173      4.91440612    -14.22665900
  H     18.03318873      2.74307827    -17.02829915
  H     17.07685029      6.05204468    -10.24190274
  O     14.28368748      4.86416219     -9.92525941
  H     13.74552535      7.79461008    -10.53665706
  H     17.52088548      6.04582488     -8.76074786
  O     17.36503870      9.64476625    -17.32650196
  H     12.27823429      7.80693903    -10.04719240
  H     13.60924798      4.39953481    -16.18368598
  O     17.77319654      2.49511124    -15.32743286
  H     14.70864996      4.40949757    -11.62381198
  H     14.78673216      4.01680530    -17.16891680
  O     20.34934592      6.59620019    -15.54013972
  H     15.02710569      3.65076514    -12.98107962
  H     18.27195376      9.10704526    -15.70465807
  O     16.95067327      6.93543577    -18.05109932
  H     15.30058398      7.30001055    -14.98792111
  H     19.26165405      8.09604643    -15.09309568
  O     16.26552274      5.92886346    -15.56032584
  H     14.03653241      7.53200893    -14.12720906
  H     17.15477910      6.87292347    -12.30716594
  O     12.18500053      5.39137266    -15.70505736
  H     18.27920516      5.26031085    -13.36459315
  H     16.48525901      5.46024937    -12.25365707
  O     16.76799835      6.18541409     -9.32898032
  H     19.24559776      5.47966973    -14.57824957
  H     15.87008424      7.79719743     -9.90506277
  O     14.44191542      3.91421438    -16.26925772
  H     15.09815328      5.22934052     -9.55607408
  H     15.88748706      8.64799768    -11.19143436
  O     18.64451726      8.80256022    -14.86892994
  H     13.69593791      5.62019050    -10.04810635
  H     16.58670761      3.84447442    -18.48698521
  O     17.28134082      5.95912100    -12.01196657
  H     17.67548249     10.36927724    -17.86381129
  H     16.08683718      5.29047269    -18.64565971
  O     15.36140067      8.44674229    -10.40628166
  H     16.51145432      9.92079359    -16.95025980
  H     12.80962454      6.70911099    -12.34654871
  O     15.78679923      4.37378462    -18.60668790
  H     18.12770167      3.27714404    -14.87947997
  H     13.70392200      5.66706843    -13.05462783
  O     13.01209285      6.32890982    -13.20986982
  H     16.92924923      2.30492916    -14.90444066
  H     14.59498601     10.98754767    -15.66928055
  O     14.98880534     10.25601907    -16.13795068
  H     20.05649849      6.22778332    -16.39413781
  H     14.81381941      9.46674299    -15.59902994
          69
 Energy    -248.03496644932710     
  O     16.20622538     10.76520498    -16.93532315
  H     15.38006053     11.17890383    -16.66296775
  H     21.22501535      9.09411665    -16.78826869
  O     15.62495823      5.49986767    -13.82569411
  H     16.40246039     10.12366442    -16.23122030
  H     17.35387049      8.41779488    -14.85453671
  O     18.98698632     13.21329689    -11.45515438
  H     16.14093256      5.45256862    -13.00732716
  H     16.03661225      8.87922916    -14.16176079
  O     18.93456837      7.48831551    -14.65045224
  H     16.24664346      5.40956250    -14.55410155
  H     13.50114040     10.51628708    -15.58151266
  O     15.09303138      7.40715548    -16.93043235
  H     19.32439144     12.42982385    -10.98438658
  H     13.00903890     11.95790028    -15.83714746
  O     17.06634389     10.46826334     -9.02852457
  H     19.60285584     13.92227662    -11.29355599
  H     17.02028012      8.92213266    -10.04164031
  O     15.12529577      9.00057888    -12.55931515
  H     19.48867725      7.90088861    -15.32824283
  H     17.78726485      8.55019322    -11.33925053
  O     18.15282849     11.61448748    -13.61026998
  H     18.44946704      6.76810592    -15.07513140
  H     13.61180400      8.30285026    -16.20572074
  O     13.41235401      6.97987085    -13.38694188
  H     15.55460481      7.87122100    -16.21224578
  H     13.03663655      8.23559843    -14.79505905
  O     17.28861635      5.77079457    -16.18629049
  H     15.43591159      7.78667929    -17.74879875
  H     18.87515314     10.67783799     -9.70202683
  O     17.02642009      5.56787176    -11.43249879
  H     16.72274109     11.18107722     -9.59660835
  H     19.62280317     10.20563057    -10.96411950
  O     20.30238117      8.89525637    -16.65396965
  H     16.76279645     10.65153842     -8.14362056
  H     19.10234621      8.51899267    -13.14757835
  O     16.50591145      8.85205539    -15.00402285
  H     14.46581047      8.31461061    -12.72269570
  H     18.70152520     10.00266913    -12.91164722
  O     13.78531266     11.44739737    -15.62216420
  H     15.72766260      8.68560734    -11.87295376
  H     15.87105177     12.29978288    -11.54054502
  O     17.08140433      8.25948031    -10.74045115
  H     17.18719903     11.63425874    -13.55926475
  H     17.15768166     12.89659703    -10.93503642
  O     13.08354525      8.80602015    -15.57123715
  H     18.48325762     12.26085689    -12.97395539
  H     19.26897565      7.75518531    -17.77903581
  O     19.64457582     10.86259036    -10.25531187
  H     14.17191026      6.40917813    -13.60792088
  H     17.93089550      7.73381481    -18.53545457
  O     19.00644322      9.19827942    -12.46724925
  H     12.76083251      6.41844203    -12.97604538
  H     14.81835019     11.72777656    -14.03014003
  O     16.31906342     12.47790401    -10.70365963
  H     17.85945448      6.06858317    -16.91132911
  H     15.20706570     10.72928269    -12.92247007
  O     18.62278757      7.16189910    -18.18153939
  H     16.41821361      6.11061159    -16.43478872
  H     18.75477214     11.39494660    -15.33209546
  O     15.35963824     11.63404150    -13.23869205
  H     17.76819947      5.11975454    -11.03291778
  H     18.04268726     11.21451862    -16.67548748
  O     18.91427870     11.18480216    -16.26292186
  H     17.04499811      6.47354448    -11.08769636
  H     16.22287590      9.23770087    -19.81753621
  O     16.43381844      8.89359836    -18.95321591
  H     19.84265889      9.74715182    -16.54739113
  H     16.35632164      9.63463081    -18.32943589
          69
 Energy    -248.03483007190135     
  O     16.73364995      7.87487779    -12.77565444
  H     16.37535390      6.98343245    -12.86107204
  H     12.52996946      7.18233610    -16.58161488
  O     12.52487203     11.74675917    -10.00248880
  H     16.00495624      8.42532468    -12.44894988
  H     13.79869434     10.27348247    -14.66824523
  O     17.25909436      9.04894388    -15.17795531
  H     12.94670709     11.11610029     -9.39024166
  H     12.96268772      8.97523041    -14.75199015
  O     11.36302078     10.01132271    -11.99731724
  H     12.00071193     12.33811315     -9.46885916
  H     17.03659184     10.40493998     -7.19470969
  O     15.41998331      5.48436019    -12.95660314
  H     16.58343898      9.72214242    -15.33204280
  H     17.01281865     10.63660469     -8.72081887
  O     18.72925977      9.08430685    -11.42955949
  H     17.06473008      8.64261710    -14.31740531
  H     14.23467158     12.08752791    -10.80115651
  O     19.57053322     10.11125042    -13.97768439
  H     11.74361103     10.64167328    -11.37351328
  H     14.97358433     10.93881129    -11.48995585
  O     17.62898314     11.38290131    -10.23181526
  H     11.85698317     10.09512658    -12.82330040
  H     18.01389993      8.06216796     -9.94995157
  O     11.16435202      7.38455299    -11.36638973
  H     15.55835185      5.38160595    -12.00680429
  H     17.07033702      8.41321602     -8.79076832
  O     15.53983311      6.68827215    -15.66068761
  H     14.46322240      5.61007328    -13.06696899
  H     15.57279282     11.69883934    -14.87593142
  O     12.74723266      6.00324884    -13.29217043
  H     19.26392533      9.42138437    -12.15608206
  H     15.15433539     11.50281346    -16.35284138
  O     12.92616818      7.43163328    -15.75110547
  H     18.02663633      8.57541122    -11.86739460
  H     15.79751962      4.96716021     -9.50825871
  O     13.11910230      9.76061747    -14.21118020
  H     18.81798322      9.76769664    -14.48477356
  H     16.30354798      6.38461083     -9.85289002
  O     16.62710612     10.10654272     -8.00348957
  H     20.33945993     10.00952196    -14.53379996
  H     14.02310241      9.35239203    -12.68724667
  O     15.06684265     11.87033614    -11.23412838
  H     17.96148440     10.58783390    -10.67451091
  H     14.20233260      8.73567302    -11.24993243
  O     17.37293576      7.67921600     -9.33883212
  H     16.76314738     11.60620233    -10.60579950
  H     12.72451435      7.36801026    -10.35772287
  O     15.25574712     11.04181080    -15.52416069
  H     11.17145897      8.33365385    -11.58649759
  H     14.16995944      6.85170797    -10.01295201
  O     15.66261075      5.69682348    -10.10813165
  H     10.27171109      7.16653261    -11.11242753
  H     19.07401341     11.77300382    -13.14464843
  O     14.62119813      9.27674166    -11.93109790
  H     16.20969537      7.38106344    -15.64125629
  H     18.53070539     12.31302448    -11.80361300
  O     13.56982332      7.60502705     -9.95495168
  H     15.65682548      6.15891138    -14.86250124
  H     15.65054248     12.58642697    -12.83675262
  O     18.71674305     12.56086794    -12.71627598
  H     12.14873387      6.44306065    -12.67752182
  H     17.04812998     12.80259404    -13.44151893
  O     16.10968615     12.75315673    -13.67021447
  H     12.65132013      6.45464824    -14.13937562
  H     14.74031354     10.02568750     -8.24330693
  O     13.79998126      9.93796863     -8.43890643
  H     13.86305613      7.16824217    -15.79500224
  H     13.68958645      9.06550682     -8.84133408
          69
 Energy    -248.03476681173964     
  O     12.83548772     13.09904717    -13.90034111
  H     12.16678641     13.77091366    -13.79823859
  H     15.48198150     12.49078156    -16.81800574
  O     15.26841186      6.98181081    -13.75913707
  H     12.99233683     12.72295184    -13.01541135
  H     15.31918764      8.62645362    -14.45704632
  O     19.22938014     11.06587229    -12.94561707
  H     16.22471319      6.84296859    -13.76636175
  H     14.45784966      9.84920686    -14.89759221
  O     17.20139784      9.92111008    -16.80244365
  H     14.89999108      6.46976030    -14.49413775
  H     14.01138556     11.48761733    -11.19787116
  O     14.21720610      8.01592912    -11.47654286
  H     19.73344480     11.87543508    -12.95946228
  H     12.65727886     10.98710279    -11.72798944
  O     16.56205949     11.48791035    -13.32270853
  H     18.30342748     11.30801629    -13.12376331
  H     18.23652920      6.65813587    -12.23276035
  O     16.94402268      7.41011788    -18.02020927
  H     16.53838698      9.69337923    -16.13061148
  H     19.09152009      6.24221716    -11.02049844
  O     16.01337306      7.00858509     -9.63691413
  H     16.83421598     10.68812115    -17.25465787
  H     11.20246208      8.85061192    -12.10669311
  O     14.10800703      7.45032764    -18.18737512
  H     14.69952380      7.60629017    -10.74600109
  H     12.74363023      8.79079768    -12.02181065
  O     14.60392857      5.63613722    -16.02705809
  H     14.54826001      7.60140488    -12.28830157
  H     18.54480730      9.38070698    -15.60275616
  O     17.45945470      5.30735400    -16.40881687
  H     16.20328897     11.29201427    -12.44735178
  H     19.21899353      9.69067171    -14.24362275
  O     15.55248261     12.05206113    -17.68467004
  H     16.21924464     10.78343053    -13.89380544
  H     17.91195575      6.07021844    -14.76897451
  O     15.36233155      9.52492150    -14.80730115
  H     15.99303975      7.41561369    -18.18851921
  H     18.41658173      7.46408355    -14.29488331
  O     13.16465991     11.78944385    -11.55083540
  H     17.15216493      8.29387147    -17.69004082
  H     18.30455304      8.65137489    -10.91211462
  O     18.32759322      6.75709262    -11.27081488
  H     16.33000104      7.58304859     -8.94090502
  H     18.68707109     10.06220641    -11.39849740
  O     11.99709397      9.30254747    -12.37908787
  H     16.78432789      6.83234308    -10.19555001
  H     13.07239762     10.17694116    -16.72326138
  O     19.03625407      8.98272068    -14.87232519
  H     13.88494831      8.37007137    -17.96249878
  H     14.16757410     10.71933686    -17.66908244
  O     18.01882769      6.63128642    -13.99101430
  H     13.56226695      7.21750788    -18.93436363
  H     15.11775314      9.63935406    -11.14841594
  O     18.20271661      9.58882171    -10.71046796
  H     15.51553844      5.36976263    -16.20154782
  H     16.49196157     10.19712949    -10.72070038
  O     13.49671544     10.03158075    -17.57842340
  H     14.35734417      6.23155381    -16.74655986
  H     15.86879661     12.71485945    -14.54127549
  O     15.58269701     10.45800273    -10.92971925
  H     17.91790781      4.62975695    -16.89829675
  H     14.46860043     13.27463769    -14.81475362
  O     15.33966233     13.16265120    -15.21462280
  H     17.35651916      6.06661516    -17.01221930
  H     12.38508874      9.97659425    -14.10969613
  O     12.71100662     10.44663925    -14.88762314
  H     15.62737445     12.74476806    -18.33553987
  H     12.70885771     11.38476917    -14.65605472
          69
 Energy    -248.03475386043957     
  O     17.37516744      8.85927740    -15.16063365
  H     17.39350369      9.69925287    -15.63416306
  H     12.58485369     11.01433357    -10.54896163
  O     17.36840640     11.49694913    -16.11065795
  H     16.83911059      9.00495146    -14.36335618
  H     19.72280591      3.69157219    -11.17006236
  O     13.08791681      7.55552592    -10.92997167
  H     17.87022104     11.80502869    -15.33376421
  H     18.56455123      4.02029618    -12.14134586
  O     15.89705169      6.53709766    -15.51807250
  H     17.70918694     11.97129489    -16.86415820
  H     15.59528376      6.31663786    -11.89565588
  O     19.51055989      8.17014290    -13.54363238
  H     13.01036170      8.51523847    -10.90725811
  H     16.75246262      6.98494973    -11.10542145
  O     20.10003511     10.45786284    -12.18164447
  H     14.03539028      7.36810179    -10.86160801
  H     19.40499360      5.25567772    -14.77408015
  O     18.55757144      7.06447090    -11.12340243
  H     16.45492933      7.32650640    -15.48392189
  H     19.95962792      5.11703512    -13.34116139
  O     12.37524615      5.88064875    -12.94962839
  H     14.97914539      6.84981876    -15.53667129
  H     16.19740844     10.97695000    -12.55970335
  O     14.84061861     12.05312342    -14.77814944
  H     18.81885838      8.41980118    -14.17149698
  H     16.06058231     11.93435044    -11.37937916
  O     13.34330543      7.45962030    -15.13937581
  H     19.84370198      7.30346029    -13.81827219
  H     17.15810360      5.27569725    -15.75293119
  O     13.31856525      9.96567030    -13.84602951
  H     19.97750236      9.63794826    -12.69096359
  H     17.90498703      4.26427010    -16.64629430
  O     13.19205007     10.42045497    -10.98560819
  H     21.02336578     10.49503535    -11.94398458
  H     15.83433042      8.49828215    -12.33002572
  O     19.31377440      4.40537496    -11.65168569
  H     18.85077300      6.14526176    -11.15727618
  H     14.95286633      9.36067208    -13.28914570
  O     15.80081377      7.02201629    -11.26455822
  H     18.84236691      7.46496562    -11.95722213
  H     17.79252242     12.28875225    -13.22822219
  O     20.08968337      5.58209287    -14.17676661
  H     11.55696514      5.43137681    -12.75755367
  H     19.20335029     11.69365364    -13.29804872
  O     16.23455829     11.91877572    -12.32427764
  H     12.54037690      6.49479234    -12.21183317
  H     14.12404075      5.25517047    -13.13196266
  O     17.87843356      4.62397474    -15.76291913
  H     15.58440744     11.88408685    -15.36795744
  H     15.36672711      5.64630512    -13.98127520
  O     15.85061340      9.23573524    -12.95191819
  H     15.23876067     12.23503602    -13.91588654
  H     18.72203980     10.13835059    -10.83403096
  O     18.57500301     12.23065497    -13.79481069
  H     13.24588448      8.36205335    -14.80751603
  H     18.23163634      8.78043355    -10.33104834
  O     15.08384947      5.16939023    -13.18773016
  H     12.89424116      6.90300982    -14.49187604
  H     16.50381416     10.44984638     -9.90808622
  O     18.07431091      9.72895382    -10.24809669
  H     13.72721145     10.73863602    -14.26816701
  H     15.75163673     11.23443816     -8.81856011
  O     15.67727486     10.92988425     -9.71945803
  H     13.12848361     10.20133585    -12.93061520
  H     16.44769742      3.92976849    -13.07269984
  O     17.29725163      3.48649747    -13.20369243
  H     14.05844961     10.56359349    -10.57415687
  H     17.54005384      3.68814318    -14.11593963
          69
 Energy    -248.03457969516461     
  O     15.30778517     14.18202542    -14.66798649
  H     15.70291177     13.30857385    -14.50742157
  H     13.37417441     11.80068858    -15.43522176
  O     14.67657289      8.60420173    -17.40255172
  H     14.61915752     14.04341320    -15.33023030
  H     15.97073021     11.62254104    -18.06284188
  O     15.41463491      9.55038079    -11.33605231
  H     14.15858614      8.42849627    -16.60004747
  H     14.94434169     10.49173585    -17.76983148
  O     19.50529363     14.47444011    -14.33306601
  H     14.33079762      8.02395029    -18.07743633
  H     12.85429873     13.61055319    -17.22490536
  O     13.37394170      8.38200372    -14.96686665
  H     15.07839335      8.77626882    -10.86888629
  H     14.05848330     12.63609661    -17.17180338
  O     14.19942221      7.15053138    -10.43451593
  H     14.64095368     10.08391454    -11.57263088
  H     18.93594302     11.65866697    -12.85412688
  O     15.73880602      5.65479519    -12.11660761
  H     20.38994279     14.82880087    -14.31424351
  H     19.27471755     11.39030313    -14.34163989
  O     16.24508205     11.62836415    -14.28395272
  H     19.56582316     13.54906859    -14.03389431
  H     14.90430694     13.71544332    -11.40146368
  O     13.16344450     10.99614627    -12.11077457
  H     12.89833620      8.16136893    -14.15290687
  H     14.34780605     13.89108591    -12.82265359
  O     15.81969378      7.95574673    -13.64467797
  H     13.38960907      9.35249834    -15.00113886
  H     16.85527077      8.10410382    -15.17333464
  O     18.38183692     10.70886577    -15.81716038
  H     14.72615601      6.52058245    -10.95607604
  H     16.42622524      8.33189218    -16.63096982
  O     13.61748460     11.08341810    -14.84127593
  H     13.98249883      6.71637284     -9.61378155
  H     16.90789931     14.47668328    -11.39531226
  O     15.03129779     11.43606381    -17.94315421
  H     16.40980434      5.01210263    -12.33007592
  H     16.83012807     14.40073125     -9.84967041
  O     13.51657785     13.25049956    -16.64178129
  H     15.84807294      6.38156031    -12.75157233
  H     16.79489898     14.42529341    -15.93997095
  O     19.55184000     11.89062327    -13.56072171
  H     16.59844330     11.58207547    -13.38602573
  H     18.32582937     14.41584581    -15.78193025
  O     14.11565971     13.58137622    -11.94195097
  H     16.94286050     11.32047110    -14.87613221
  H     17.16174267     12.24272441    -11.27147990
  O     17.20168736      8.27194304    -16.06096863
  H     13.38482107     11.90746046    -11.87173465
  H     16.79585514     10.73673777    -11.46104242
  O     16.64216971     13.91219633    -10.64627810
  H     13.18368517     10.99643910    -13.07836444
  H     12.42642424      9.18388397    -12.18037721
  O     17.61662687     14.33249068    -16.43329522
  H     14.97400647      8.04673921    -14.10535172
  H     12.87285451      7.78672728    -11.73062586
  O     17.39216842     11.43920388    -11.75612868
  H     15.79644329      8.57713301    -12.90591579
  H     18.05233435     15.10066001    -13.33789792
  O     12.35433384      8.24606840    -12.40113714
  H     18.28371143     11.16277504    -16.66205040
  H     16.51916457     15.11389879    -13.51417239
  O     17.22460582     15.30300096    -12.88296286
  H     18.07104783      9.79820774    -15.93644234
  H     17.71524899     13.02695313    -17.56497993
  O     17.75433326     12.22053440    -18.11124162
  H     14.56509890     11.18957611    -14.65863311
  H     18.25464362     12.43902975    -18.89279752
          69
 Energy    -248.03445806269343     
  O     15.88487433     11.64493186    -12.89970579
  H     16.44507461     10.96177401    -12.51128987
  H     10.06678476      4.76127498    -10.38310307
  O     17.42052307     10.12911978     -7.30205748
  H     15.48742508     12.12070568    -12.16038237
  H     13.23368447      5.73206500    -13.74462435
  O     16.48196442      5.58962778    -10.89883188
  H     18.12670917     10.76904895     -7.34814589
  H     14.72018625      6.17663571    -13.74409971
  O     13.12266234      4.77599038     -9.82394408
  H     16.78104502     10.38656418     -7.98683471
  H     11.99128968     11.43251134    -11.69991178
  O     18.43088078      7.48089978    -10.11372832
  H     16.02642427      4.79877779    -11.20941097
  H     11.68470687     11.32103216    -10.18818932
  O     17.37254310      7.41108348     -7.39642547
  H     15.96978715      5.92639963    -10.14834169
  H     14.49344514      7.35714394     -8.82888270
  O     17.14193881      9.56482240    -11.43164680
  H     13.64346813      4.30957185    -10.48960161
  H     15.78413713      6.80180845     -8.16733593
  O     14.58884800     12.86396204    -10.63514095
  H     13.74146150      5.32324511     -9.32463645
  H     12.66631363     10.72062950    -13.84633545
  O      9.85440041      8.20076000    -10.59012594
  H     18.21380103      7.48248754     -9.17460083
  H     12.59644356      9.64943393    -12.72317943
  O     15.62477540     10.65157079     -9.30500492
  H     17.95585798      6.71940052    -10.47281290
  H     11.21681650      5.96377621    -12.32364503
  O     13.35363857      8.23424250    -11.92070382
  H     17.39319614      8.37723857     -7.28591958
  H     10.97287728      7.08467057    -13.36935315
  O     10.65586476      5.46980095    -10.62841487
  H     17.82953894      7.03903706     -6.64634389
  H      9.27647712      8.98164689    -14.03050457
  O     14.14004248      5.41251781    -13.84938024
  H     16.62605268      9.93019517    -10.70056775
  H     10.64844290      9.34087500    -13.41117575
  O     12.08401293     11.89197769    -10.85433357
  H     17.72975724      8.90809280    -11.03101841
  H     10.43526527     10.21128303     -8.23759839
  O     15.02403782      6.55644037     -8.70972165
  H     14.55632683     13.80939096    -10.51841545
  H     10.55587153      9.37096324     -9.53156794
  O     12.07900739     10.32642743    -13.18513064
  H     13.66688733     12.55804378    -10.71281413
  H     14.49917255      4.20504217    -12.64327205
  O     11.59023353      6.38987263    -13.10726274
  H     10.10506944      7.27119986    -10.51878787
  H     14.84165599      2.74955857    -12.24270377
  O      9.94119988      8.67166426    -13.42155649
  H      9.77599415      8.38817466    -11.53295017
  H     14.71103205     11.45629051    -14.20027521
  O     11.01923646     10.01402642     -8.96476321
  H     14.87761158     10.03887785     -9.25138505
  H     14.40275242     11.27814261    -15.69644445
  O     14.72023961      3.62692834    -11.89082312
  H     15.29585112     11.47613743     -9.68486808
  H     13.46010125      8.62029760    -10.21658173
  O     13.98777843     11.34072990    -14.84075565
  H     12.75953338      7.54443074    -12.24021442
  H     12.70094772      9.22254937     -9.00775587
  O     13.54239157      8.83424044     -9.27331204
  H     14.23937670      8.02437864    -12.24884500
  H     16.31289026      8.29281248    -12.51007630
  O     15.83513459      7.50788431    -12.80995115
  H     11.53473817      5.23452602    -10.27933198
  H     16.09574847      6.80169227    -12.19996204
          69
 Energy    -248.03444008328739     
  O     15.97602826     11.70314156    -15.76400724
  H     16.78018056     11.76804069    -15.23512291
  H     17.85840652      8.54940610    -16.70445859
  O     14.11392233      6.05750517    -15.81807613
  H     16.26372398     11.43919935    -16.64639996
  H     16.77862255      8.82155491    -14.58878551
  O     18.29720474      7.44998714    -11.81772365
  H     13.89968959      6.12997350    -14.87700671
  H     15.79433815      8.58778393    -15.77909735
  O     17.88422620      5.94726637    -18.34510631
  H     15.03658014      5.76931391    -15.84079951
  H     14.43086728     11.27187429    -15.05121008
  O     15.23310308      6.35841477    -18.66927863
  H     17.75503568      6.77565546    -12.25446300
  H     12.95497050     11.66910938    -14.81135522
  O     14.54094559      8.22285837     -9.93340920
  H     18.01203286      7.47332684    -10.89565145
  H     16.45412667      5.62091863     -9.83288648
  O     13.96484617      6.59819354    -13.07013907
  H     16.93433511      6.07415982    -18.52746741
  H     16.30875350      4.92297043    -11.19611141
  O     17.00261217      9.62200913    -12.94972767
  H     18.21189133      5.34774951    -19.00966388
  H     13.68778498      9.39317760    -15.74315741
  O     16.94156632      5.63617350    -15.67167266
  H     15.09645217      7.28846748    -18.91002355
  H     13.88886921      7.86454451    -16.12043941
  O     13.40099972      5.64387214    -10.47966278
  H     14.63232557      6.17603579    -17.94288693
  H     19.77625853      7.69723102    -12.86198148
  O     19.97817680      9.84426499    -15.41920415
  H     14.39023717      8.72284920    -10.74619601
  H     21.11893491      7.18391372    -13.39790837
  O     18.46294706      8.59411122    -17.46422664
  H     14.02023508      7.41477071    -10.02032273
  H     16.83224902      5.38878763    -13.86122456
  O     16.66425251      8.35885559    -15.42618815
  H     13.61974331      6.22217307    -12.25082545
  H     15.69715457      5.95627393    -12.98158106
  O     13.58546974     10.96747911    -14.67268239
  H     14.05011476      7.55162039    -12.92715822
  H     17.27675273      7.66533018     -8.42020169
  O     16.00959292      4.88836906    -10.27693849
  H     17.54994266     10.36146184    -13.24173198
  H     16.17423993      7.76492319     -9.50078605
  O     14.06394024      8.77916988    -16.38274348
  H     17.55860798      8.96176041    -12.51515559
  H     17.57735964     11.38695169    -18.86830410
  O     20.47364572      7.87829579    -13.50953379
  H     17.37036963      5.53967818    -16.52829199
  H     17.62550074     10.06086589    -18.08035600
  O     16.58952218      5.58309137    -12.94649194
  H     16.87981292      6.59413735    -15.52041883
  H     13.92731238      9.92488623    -13.15901331
  O     17.05661502      7.39917411     -9.30878194
  H     12.78868243      5.04778995    -10.05768828
  H     15.28736367      9.45402867    -12.61220141
  O     17.06597006     10.82724677    -18.28862405
  H     14.29244527      5.27249373    -10.35166124
  H     18.92252596     12.40915863    -13.94478933
  O     14.33064619      9.31447144    -12.53123122
  H     20.20892672      9.15194939    -14.78251865
  H     19.00773892     11.05415813    -14.68974230
  O     18.40227011     11.66170256    -14.22563963
  H     19.64091267      9.39704468    -16.20417694
  H     15.59132285      9.72307205    -18.93109855
  O     14.87851026      9.07998352    -19.00486426
  H     18.41823911      7.72516664    -17.87877426
  H     14.47363450      9.05815291    -18.12430688
          69
 Energy    -248.03438634161034     
  O     -2.72363926     11.75694543      7.79514149
  H     -2.41601860     10.89076799      8.09557171
  H     -0.16927919     13.19609650      6.59619407
  O     -2.69696433     14.81509099      5.23196216
  H     -3.68522185     11.77662024      7.87584500
  H     -5.33440058     13.36381107      5.05262627
  O     -3.17010104      8.62065322      5.93340992
  H     -2.03009973     14.50917012      5.86455991
  H     -5.49491130     13.39254686      6.57797230
  O     -6.24765247      9.81982724      3.25668646
  H     -3.55893953     14.51176969      5.53897263
  H      1.95496671     12.38836881      5.40099248
  O      0.31919446      9.53318843      6.59934811
  H     -3.02458051      9.48921032      5.52531008
  H      0.57884674     12.03950159      4.78766711
  O     -3.88039300     10.08186733      1.49048240
  H     -2.73851708      8.66130762      6.79665857
  H     -6.08077287      9.54368110      5.17483763
  O     -4.07080123     12.90549742      1.35505053
  H     -7.08770317      9.92743548      2.81577381
  H     -4.95106782      9.09776477      6.10872880
  O     -1.71062773      9.20300069      8.30921878
  H     -5.92697254     10.71437472      3.46691879
  H     -2.19811707     14.33388467      3.56598612
  O     -0.78053329      8.23724703      4.39919415
  H      0.65552947     10.39352662      6.32645215
  H     -2.02517776     14.97876457      2.17334689
  O     -1.24157434      9.65064570      1.92309174
  H      0.06090257      9.06303731      5.79211036
  H     -3.10640708     16.51529870      4.60593926
  O     -0.52957524     11.89443961      3.42188773
  H     -4.63496034      9.81840562      2.02668809
  H     -4.47179992     17.03666308      4.14993206
  O     -0.90710602     13.70127834      6.95706156
  H     -3.99741263     11.02194643      1.29338096
  H     -2.95813720     16.96345991      2.47623380
  O     -5.37322999     13.96649913      5.81452183
  H     -3.24201814     13.23712971      1.72838912
  H     -2.35490990     17.38645965      1.11429088
  O      1.07111636     12.10630749      5.62381639
  H     -4.62877327     13.68926499      1.23921612
  H     -6.14716495     11.68380633      8.41014229
  O     -5.78728335      9.58401655      6.09164100
  H     -1.44860272      8.67645401      9.05867064
  H     -5.67802035     11.01950865      7.09727727
  O     -1.91767287     14.14990689      2.65551400
  H     -0.91804533      9.31344026      7.74928122
  H     -5.66552298     15.58150147      2.35230498
  O     -3.52732911     17.22920335      4.10507422
  H     -1.64734909      8.13407071      4.81187875
  H     -4.48527922     15.85932274      1.40545651
  O     -2.71540640     16.64241327      1.58845075
  H     -0.94038926      8.64536409      3.54093897
  H     -7.00693892     16.43417270      4.43400776
  O     -5.55145400     11.79488476      7.67334456
  H     -0.88134160      9.26222260      1.12975304
  H     -5.95193178     15.38088373      4.82961068
  O     -5.30352023     15.35268563      1.48828247
  H     -2.19784254      9.75227503      1.77267208
  H     -1.94823947     11.44495945      4.55656512
  O     -6.15587889     16.07954118      4.18732239
  H     -0.69394107     11.15263558      2.82474959
  H     -2.64647222     11.52505848      5.95387016
  O     -2.75601475     11.23416805      5.03852958
  H     -0.91790489     12.69427744      3.03934005
  H     -4.23056139     11.80179395      4.25603124
  O     -5.01672903     12.18242314      3.83170037
  H     -1.47209937     13.06718380      7.42008640
  H     -4.74739211     12.49666203      2.95882525
          69
 Ord_Energy   -248.034225    
 O    5.16153002      0.522405326       8.59861946    
 H    5.81295872      0.434573054       9.30612850    
 H    5.45668936       1.24793768       8.02844620    
 O    4.48623753      -3.08563876       3.11943531    
 H    4.03497839      -2.35785866       2.66733074    
 H    5.42640400      -2.92158031       2.98912621    
 O    4.08156919      0.566875339       4.61843634    
 H    4.96076679      0.951953828       4.51765728    
 H    3.58903313       1.17502058       5.17873430    
 O    1.34395885     -0.467705756       6.10750341    
 H    1.61561227      -9.39688832E-02   6.95304966    
 H    1.97170222      -1.17964005       5.92844296    
 O   0.568473518       1.16766739       3.96928358    
 H   0.781486034      0.578327835       4.70693684    
 H   0.899964988       2.04331350       4.19766092    
 O    6.58138180       1.79035771       4.43438959    
 H    6.49767542       2.08362436       3.51835918    
 H    7.05846786      0.949352980       4.46546221    
 O    3.47428250     -0.641975224       2.15374660    
 H    2.68632865     -0.246377304       1.76425207    
 H    3.61935687     -0.179652765       2.99237299    
 O    8.31720829       2.06868672       8.34311199    
 H    8.81621265       1.46341133       7.78005457    
 H    8.08056831       1.55816913       9.12653828    
 O    8.26053429      -1.65984774       8.59005165    
 H    7.49130583      -1.87697160       8.04532909    
 H    8.85924911      -1.17413795       8.00881481    
 O    5.96435499      -1.61093748       6.95125914    
 H    5.17032099      -1.95510900       6.52019215    
 H    5.66432858     -0.887874663       7.51824713    
 O    9.59737873       5.14128394E-02   6.72085810    
 H    8.98491859     -0.210547373       6.01335955    
 H    10.4723616       5.03593013E-02   6.34064960    
 O    3.65405130      -2.02997184       5.52706861    
 H    3.86766553      -2.57303548       4.75471592    
 H    3.81635284      -1.11303508       5.25380325    
 O    7.33937740      0.205576897       10.3289261    
 H    7.55632305       2.67680008E-02   11.2394114    
 H    7.70825005     -0.525625944       9.80067062    
 O    1.87732542       3.71262717       4.37877035    
 H    1.47042751       4.54752016       4.59615517    
 H    2.38035822       3.43354988       5.16269207    
 O    1.29385996      0.903336287       1.39014983    
 H   0.532615840      0.844481409      0.820539773    
 H   0.959256291      0.944034755       2.30585408    
 O    6.00099325       2.63694906       6.98375607    
 H    6.82959175       2.62121463       7.48511457    
 H    6.23622084       2.42462587       6.06835508    
 O    7.65841389     -0.722047985       4.93109035    
 H    7.03778362      -1.05538595       5.59647369    
 H    7.57784986      -1.28120339       4.14753962    
 O    6.04628849     -0.175836533       1.23601174    
 H    6.12905264      0.779849291       1.32211864    
 H    5.11510897     -0.367986500       1.42209065    
 O    5.96201992       2.60977316       1.83255386    
 H    4.99553299       2.72205591       1.88669360    
 H    6.29031324       3.33158517       1.30309844    
 O    3.26897669       2.91032791       2.01154518    
 H    2.64741635       2.26214838       1.65938139    
 H    2.84732461       3.26284122       2.80481052    
 O    2.44378328      0.841059923       8.43818951    
 H    2.03784347      0.883801043       9.30035210    
 H    3.38270831      0.632377386       8.57956219    
 O    7.23549366      -2.16986918       2.60475850    
 H    6.86500454      -1.45322108       2.05707264    
 H    7.75341988      -2.72057438       2.02359653    
 O    3.26062989       2.66517997       6.45894861    
 H    2.87196040       2.14082813       7.17016268    
 H    4.19130421       2.80965877       6.67977810    
          69
 Ord_Energy   -248.034164    
 O    2.72071958       5.46772623       6.46355820    
 H    2.03353262       4.86269665       6.16383600    
 H    3.51086760       5.28886509       5.93455172    
 O    4.08522272       2.19069195       5.84166002    
 H    4.45452452       3.08493257       5.81258869    
 H    3.86541510       1.97047961       4.93019676    
 O    6.38135624       3.16563177       3.30568433    
 H    6.67238140       2.33019304       3.71364284    
 H    7.04085112       3.39884472       2.65757322    
 O    2.14535975     -0.984825850       5.26137877    
 H    2.04870272     -0.863876879       6.21657228    
 H    2.53598595      -1.86021113       5.15294600    
 O    6.10894728       2.26200032       9.41865253    
 H    5.19343281       2.54979753       9.54761600    
 H    6.29995728       1.65010273       10.1400557    
 O    4.77348804      -1.62169957       7.48770189    
 H    3.89415216      -1.26876557       7.68835974    
 H    5.34231663     -0.855376065       7.32446051    
 O    3.79382467       5.76583719       8.93758297    
 H    3.34945822       5.69862223       8.07302475    
 H    3.63453388       6.64832497       9.26092434    
 O    5.06915522      -1.84509158       10.2964649    
 H    4.13309574      -1.76732087       10.5189352    
 H    5.10241985      -1.89791679       9.33286572    
 O    3.86921072       1.81135964       2.99483895    
 H    4.18405294      0.896923006       3.00730419    
 H    4.65444565       2.37058544       2.94691491    
 O    2.21798396     -0.607029438       8.03413677    
 H    2.13885570     -0.849468172       8.96503639    
 H    2.10148501      0.353155613       7.98268986    
 O    3.46939778       3.13654351       9.82724094    
 H    2.91385770       2.77944565       9.11992836    
 H    3.54512429       4.08460331       9.66180706    
 O    4.11091805      -3.14899683       5.28555679    
 H    4.22750425      -4.08229017       5.44010162    
 H    4.42129183      -2.69480252       6.08809090    
 O   0.622991562       3.56767535       5.78049517    
 H  -0.263318747       3.85326004       5.57527256    
 H   0.839064717       2.85909963       5.14850044    
 O    2.31850195      -1.15542805       10.7824421    
 H    2.66614723     -0.325864732       11.1580906    
 H    1.70201766      -1.50848913       11.4180803    
 O    6.27809858       4.69447279       7.92056465    
 H    6.42282581       3.88973737       8.43291664    
 H    5.53776360       5.14569521       8.34608746    
 O    1.30811191       1.51983511       4.10950184    
 H    1.44159651      0.628884137       4.45644474    
 H    2.05909991       1.69656265       3.52768850    
 O    6.09924078      0.763272524       7.08558655    
 H    6.22348547       1.24745357       7.91175604    
 H    5.38898230       1.22377861       6.61299849    
 O    6.24258041      0.323165804       11.4560814    
 H    6.89151812       5.14332317E-02   12.0994596    
 H    5.90306997     -0.488783479       11.0392914    
 O    6.94564152      0.751685321       4.42958069    
 H    6.23087978      0.159588724       4.16274881    
 H    6.91566038      0.750588536       5.39585161    
 O    4.58500767     -0.759933352       3.83906198    
 H    4.73166895      -1.69558454       4.01401329    
 H    3.78575182     -0.574693084       4.35342216    
 O    5.19733477       4.66694021       5.40952492    
 H    5.74280596       4.71074963       6.21178436    
 H    5.72095585       4.29546356       4.69017267    
 O    3.48272753       1.09351671       11.7350035    
 H    3.40146232       1.88000178       11.1780910    
 H    4.42767525      0.907666862       11.7947283    
 O    2.07109976       2.10949373       7.67390299    
 H    2.81985855       2.10915756       7.05531359    
 H    1.38065183       2.60778451       7.22235727    
          69
 Energy    -248.03383010720844     
  O      0.96226895     -0.59602575      5.46143629
  H      1.43717790     -1.03787421      6.16110046
  H     -5.60584899     -1.26913555      2.11495941
  O      2.29573404      0.49443533     -2.32182492
  H      0.09331663     -1.03235866      5.39944738
  H     -2.21331340      2.93021015      2.04213935
  O     -1.44907024     -1.83251420      5.31661541
  H      1.37974499      0.66119257     -2.06496583
  H     -3.06249945      2.35929089      0.89047330
  O     -0.23824003      0.59802746     -0.98538716
  H      2.84019855      1.03377479     -1.73420232
  H     -0.33452210      2.40335836      3.70610526
  O      2.77149914     -2.07039004     -1.53087193
  H     -1.48027630     -2.65003070      4.80310148
  H      0.10752577      2.24421467      2.21459857
  O      3.98605249     -0.83292011      0.76646498
  H     -2.27760716     -1.37104106      5.13763545
  H     -2.43738990     -0.32413958      3.05020714
  O     -4.84291876      1.95017506      3.42822819
  H     -0.17029958     -0.36790820     -0.94532139
  H     -1.37493825      0.72392865      2.59210511
  O     -3.43571051     -3.56939125      1.84648114
  H      0.25688004      0.93840296     -0.22729962
  H      0.05013009     -2.30686884      0.20469986
  O      0.26257537      2.11448291      5.36732807
  H      3.22918042     -2.58016691     -2.19449919
  H      0.97050767     -2.29201138     -1.04768142
  O      3.80616783      1.69628121     -0.21072392
  H      2.63699822     -1.18036101     -1.90396776
  H      1.79215269     -0.60151126      3.72049622
  O     -5.42621566      0.21054235      1.20554250
  H      3.40491318     -0.89923754      1.53563305
  H      1.33441468     -1.35782257      2.46601102
  O     -5.61363607     -2.00851660      2.74919875
  H      3.60149594     -1.38753641      0.07595566
  H     -4.12451079      0.36666467      4.16039554
  O     -3.09306724      2.96714225      1.63713213
  H     -5.40619512      2.62991434      3.78841259
  H     -4.40386109     -1.12801830      3.89388531
  O     -0.65316276      2.39561119      2.79300719
  H     -4.21383616      2.39574091      2.83263295
  H      2.18443115      1.73887541      0.72296870
  O     -1.76519524     -0.13573966      2.38336880
  H     -4.23858221     -3.12127444      2.13461161
  H      1.59255956      0.74115980      1.74991660
  O      0.05812252     -2.18052029     -0.75653499
  H     -3.21233549     -3.20237358      0.97886010
  H     -1.44070143     -5.03180382      3.75009280
  O      1.99288058     -0.72201603      2.78622343
  H      0.52930538      1.18747813      5.45772308
  H     -2.22462556     -3.95097007      2.96485509
  O     -3.76918567     -0.52173724      4.29895877
  H      0.07163927      2.42303156      6.24985099
  H     -0.44053878     -3.01053173      2.50702371
  O      1.37056141      1.48900782      1.17644102
  H      4.61773796      2.19198067     -0.14965545
  H     -0.70880308     -1.53768616      2.10493511
  O     -1.48486716     -4.09433851      3.58626128
  H      3.98639230      0.80851018      0.14991186
  H     -1.82860691     -2.40180179     -0.78218799
  O     -0.09344376     -2.27907692      1.98412330
  H     -4.67893597      0.35386233      0.61248829
  H     -2.94960894     -1.38425799     -0.53797525
  O     -2.76315783     -2.32841816     -0.54784157
  H     -5.34243352      0.87045801      1.90576908
  H     -2.54795325      0.26388729      0.81827257
  O     -2.87161000      0.57250456     -0.04446381
  H     -6.51986857     -2.29359697      2.82893799
  H     -2.07401496      0.71590344     -0.57127234
          69
 Energy    -248.03369567581706     
  O     -1.80376449      1.57960667     -3.94556041
  H     -1.01024038      1.84187494     -3.46391846
  H     -1.42888853      3.08418771      1.09364854
  O     -2.69317257     -1.22846119      2.12580203
  H     -2.02323733      0.70680307     -3.58918813
  H     -1.16109274      2.62737856     -1.15084770
  O      0.33766186     -0.53090200     -0.47866208
  H     -3.33189869     -0.80253444      2.71209079
  H     -2.38580735      2.02277851     -0.41502436
  O     -2.59092256     -0.70258271     -2.55249348
  H     -1.83780395     -0.79654988      2.26566609
  H      2.61137366      0.55193306      1.91180430
  O     -3.63375441     -2.83437389      0.05260690
  H      0.00971312     -0.24167244      0.38556207
  H      2.04579688      1.78156713      2.65084307
  O     -1.24218115     -2.78908043     -1.24580130
  H     -0.14725628     -1.32763056     -0.72177761
  H      0.45156555      3.43413027      2.23209295
  O      0.24930527      1.88417910     -2.01473101
  H     -2.81445905     -0.26992027     -1.71415291
  H      1.59072234      4.36320825      2.70314804
  O     -0.44555332      0.32112554      2.07142633
  H     -2.09179535     -1.49101609     -2.31661935
  H     -4.31430879     -0.45541119     -3.10641477
  O      2.98505856      0.11001006      0.07244232
  H     -3.37443839     -2.38718006      0.87222595
  H     -5.11759558      0.79793102     -3.46365872
  O     -5.87884789      0.47935894      1.00254763
  H     -4.41888249     -2.38304682     -0.27344969
  H     -4.15753935      1.98311801      3.16425578
  O     -4.74755347      0.16296301      3.44563884
  H     -2.09215766     -2.87876667     -0.77822534
  H     -4.56951833      3.05872098      2.14469481
  O     -1.27465775      3.00912299      2.04771683
  H     -0.95969874     -3.67162757     -1.47018863
  H     -6.78450455     -2.05151520     -1.23794611
  O     -1.91706471      2.85273025     -0.59376504
  H      0.98149837      2.35198638     -1.58710749
  H     -5.84970666     -0.95471148     -1.79525452
  O      2.16705589      0.82542283      2.72428426
  H      0.22903328      1.00554401     -1.61317748
  H     -2.88908974     -0.11341245      0.61701496
  O      1.41627747      3.55165210      2.23290038
  H     -0.79467555      1.22210169      2.08280198
  H     -4.14918084      0.60954556      0.15316031
  O     -5.21846342     -0.11297542     -3.16598402
  H      0.45365856      0.36833323      2.42666796
  H     -3.49192459      3.58601455     -1.18311674
  O     -3.91473175      2.85118829      2.82081482
  H      3.61898649     -0.45747638     -0.35866244
  H     -4.48617547      3.35161300     -2.33569222
  O     -6.10137182     -1.43527806     -0.98615130
  H      2.10400977     -0.20461372     -0.18898935
  H     -3.42440167      2.24507107     -4.01872107
  O     -3.22359929      0.47008940     -0.07556197
  H     -6.12647872     -0.12010366      0.28676448
  H     -4.54622665      2.91429684     -4.84184194
  O     -4.41524551      3.71081620     -1.44346115
  H     -6.08641088      1.39631665      0.77507327
  H     -5.42113999      3.43595671     -0.09489628
  O     -4.36399335      2.50255659     -4.00110082
  H     -5.23719265      0.22172739      2.60516325
  H     -6.57738165      3.92825446      0.80563224
  O     -5.94401521      3.22372076      0.69989514
  H     -5.37467169     -0.09440502      4.11652968
  H      2.01677852      3.18310805      0.43676108
  O      2.28300731      2.85468146     -0.43039133
  H     -2.15110308      3.02953480      2.45597181
  H      2.68076465      1.98953559     -0.27055603
          69
 Energy    -248.03366423314196     
  O     -2.62452105      0.22452797      3.31491630
  H     -2.85939781      0.63191045      4.16089513
  H     -2.60198856     -2.96829812      4.38340566
  O     -2.69211366      3.82191267      5.51448845
  H     -2.77479090     -0.72320703      3.41335689
  H     -2.10819385     -2.76748712      6.90493061
  O      1.39846042     -1.54288629      2.50423512
  H     -3.03259116      4.68739475      5.72341659
  H     -3.36590184     -1.90919995      7.09119847
  O      3.51683176      0.28661131      2.87782183
  H     -2.39057865      3.85421058      4.58838443
  H     -0.25146126      0.04154955      7.03577121
  O     -0.26712585     -1.93312930      0.23412322
  H      0.91173712     -1.76493814      1.70380261
  H     -1.55502203     -0.58090390      7.59934900
  O     -2.69900983     -2.82616536      1.17503267
  H      0.95156145     -0.76898429      2.88452112
  H     -1.35609065     -4.79222820      5.63371404
  O     -2.49430152      1.76396482      1.05619629
  H      3.24088667      0.93963004      2.22324078
  H     -0.56981521     -3.50556795      5.28859403
  O     -1.80527157      3.80061280      2.97121694
  H      2.95147866     -0.48107698      2.72164397
  H     -0.54743323      2.11292376      7.26540959
  O      0.86376862      3.19327966      3.05602241
  H     -1.12679910     -2.24007359      0.56554967
  H     -1.05586380      3.33661570      6.48669984
  O      2.38342026      2.08758189      0.96154683
  H     -0.03717435     -2.50430068     -0.49533735
  H     -4.31368878     -0.29269542      5.91290381
  O      0.94463092     -2.81423316      4.95996447
  H     -3.44657854     -3.24583727      0.75540362
  H     -5.64132636     -1.03045794      6.19841791
  O     -3.24209151     -2.45395329      3.87055420
  H     -2.92864895     -2.76064461      2.11458983
  H      0.34994455      1.49175409      3.50350432
  O     -2.52301877     -2.13224648      7.50194511
  H     -3.29789474      1.70365973      0.54537051
  H     -0.83729051      0.48145596      3.57419426
  O     -1.12229215      0.26072834      7.39800200
  H     -2.60591929      1.17634785      1.82305961
  H      2.65772612      2.56897251      5.59362097
  O     -1.45993964     -3.85866311      5.47126361
  H     -2.10743153      3.24483766      2.24605564
  H      1.31617311      3.20507247      6.06128256
  O     -0.28148612      2.97910465      6.93517665
  H     -0.84039800      3.70465150      2.98778004
  H      4.60586854      0.87519452      5.80370786
  O     -4.74713253     -1.16325808      5.89415751
  H      1.48037081      2.96289830      2.35261106
  H      3.68094870      0.71831268      4.57503973
  O      0.10923498      0.58284059      3.72418400
  H      1.36102907      3.33481482      3.87816445
  H     -0.04230148     -0.04219921      0.11094070
  O      2.06990569      3.32100701      5.46296491
  H      1.57693079      1.65432928      0.62863885
  H     -0.77765664      1.28094676      0.39477475
  O      3.69734139      0.94133312      5.52289537
  H      2.79628124      2.51012144      0.21306034
  H     -2.47666171      0.84217655      6.38736387
  O      0.07257637      0.91517192      0.12205962
  H      1.16456030     -2.54983519      4.05728959
  H     -3.17719467      2.09400751      5.78187628
  O     -3.23169690      1.13220762      5.85160077
  H      1.11639483     -2.03117593      5.50033188
  H      0.80903822      0.06521375      5.28240356
  O      1.23906594     -0.27436240      6.08410040
  H     -3.88357616     -2.10498505      4.50258916
  H      2.13185747      0.08982858      6.07426284
          69
 Energy    -248.03364000285012     
  O     12.94702527     10.49315042    -15.68285673
  H     13.49799374      9.78191122    -16.04216858
  H     20.02741337      7.48720206    -14.03529093
  O     17.33645393      6.65042705    -13.72683592
  H     13.53682051     11.25242305    -15.62196646
  H     17.81304298     11.01419994    -16.77237373
  O     18.17700080     11.43469617    -11.77644156
  H     18.21703784      6.79806683    -13.36914821
  H     16.72233925     10.53756490    -17.74531014
  O     19.13788612     10.10376391    -15.76310672
  H     17.08779272      7.50626245    -14.11293460
  H     16.43948577      9.79605323    -14.04475366
  O     15.29237661      9.05588616     -9.53279865
  H     18.07594451     11.00640567    -10.91718438
  H     17.53865330      9.47127022    -15.09823752
  O     15.04226166      6.56618218    -12.26577704
  H     17.30281681     11.42241421    -12.18955860
  H     12.15736932      9.47882056    -14.50672915
  O     15.72852133     11.12575086    -13.04137181
  H     19.54386130     10.38857635    -14.93319405
  H     10.89890134      8.91625759    -13.80412979
  O     17.83031931      6.85663872    -17.31175972
  H     19.52751549      9.24300039    -15.96571395
  H     18.46853676      8.35396550    -10.17827206
  O     16.19788861      6.34906135     -9.73054099
  H     15.46894972      8.10652633     -9.50023204
  H     19.10111297      7.50596594    -11.31163806
  O     20.08097982      7.44523400    -15.95924604
  H     14.74487942      9.20295512    -10.31387258
  H     12.80993960      7.18886800    -14.41195563
  O     16.02402645      5.32342003    -15.81799348
  H     15.27360016      6.35190182    -11.35472663
  H     13.98016362      6.42123810    -13.78719444
  O     19.87907840      7.70397525    -13.10481364
  H     15.88244327      6.55752608    -12.74988053
  H     19.49452283     10.89940604    -12.69535721
  O     16.96875939     11.26939918    -17.16667048
  H     15.03349879     10.54341860    -12.70307296
  H     21.01449572     11.01001963    -12.96906708
  O     16.74364953      9.12817585    -14.67177700
  H     15.39855582     11.60718261    -13.81078924
  H     16.89601623      9.73331442     -9.42231164
  O     11.84519311      8.81667042    -13.86382410
  H     17.16461256      6.27978663    -16.91055585
  H     18.01821410     10.27539895     -8.50757750
  O     18.56963796      7.45237516    -10.51030374
  H     17.35224184      7.51864616    -17.82165593
  H     15.53577144      8.66437103    -17.84765466
  O     13.50882781      6.55664127    -14.62172645
  H     16.35352858      5.65455651     -9.09655124
  H     15.72158488      8.74991307    -19.38087155
  O     20.22896935     10.53266516    -13.22131469
  H     17.07246972      6.66142438    -10.02594253
  H     14.41828988      8.28604515    -12.16432323
  O     17.83545158      9.98931911     -9.39874417
  H     19.27299882      7.16990645    -16.43073219
  H     13.18490022      9.11169145    -12.57760602
  O     16.17511244      8.87564884    -18.55097970
  H     20.81409501      7.07388333    -16.44299842
  H     15.75229173     11.98654423    -16.10049828
  O     14.01058620      9.16073269    -12.08144617
  H     15.10511038      5.47430154    -15.58147544
  H     15.08023522     13.30579963    -15.66476134
  O     15.08986121     12.36677403    -15.49700312
  H     16.53684311      5.61692407    -15.05019357
  H     15.41693306      8.71178303    -15.78148107
  O     14.67474579      8.42499104    -16.33660135
  H     20.00618854      8.66081885    -13.05497518
  H     14.26686166      7.68591215    -15.86878136
          69
 Energy    -248.03355127624093     
  O     14.24148217     10.60597196    -15.78892589
  H     14.79051301     10.22263591    -15.09364901
  H     17.53193555      4.15605326    -14.69907683
  O     14.11537769      4.99851420    -16.24054849
  H     14.80688073     10.65105541    -16.56829936
  H     17.93665300      7.14262721    -15.63050602
  O     17.50398313      7.51533293    -12.24627780
  H     14.63085078      4.38822479    -16.78356252
  H     19.27182616      6.71979046    -16.26972478
  O     19.50039744      5.26528389    -17.33870829
  H     13.65673576      5.61464902    -16.82487216
  H     16.03420807      7.32067478    -16.73094721
  O     17.28159165      5.52302369    -18.88351146
  H     16.94994820      8.10938012    -12.76597966
  H     15.53771844      6.23530673    -15.76672710
  O     13.56666095      7.26850177    -10.10280308
  H     18.42636414      7.71883604    -12.45717866
  H     12.67957614      8.22770369    -14.56347952
  O     14.24167596      5.16009767    -13.53366414
  H     18.75437522      5.38298054    -17.95460870
  H     12.98905781      9.29993989    -15.62920727
  O     15.77493434      8.97445829    -13.95308450
  H     20.21441815      4.88158618    -17.83982007
  H     16.37331912      3.11718062     -9.96480897
  O     13.60577917      4.48837576    -10.89951557
  H     16.73450827      4.79106252    -18.57143961
  H     15.27250430      4.00840512    -10.58852754
  O     17.83722166      9.98239811    -15.75518166
  H     16.72393491      6.31108373    -18.86299912
  H     12.75307843      7.57819863    -16.91829563
  O     15.92089827      3.36937060    -17.57453186
  H     14.52420129      7.13380344     -9.98140827
  H     12.14779939      7.07566203    -18.25166738
  O     17.68555865      3.79290378    -15.58083769
  H     13.24637622      7.69223751     -9.31127530
  H     19.71107015      7.74754348    -14.11777777
  O     18.87808692      7.36648025    -15.67132768
  H     15.19424734      5.04921723    -13.40822744
  H     20.59804027      8.74396712    -13.35008385
  O     16.13138976      6.99071096    -15.82668171
  H     14.05177453      4.98203854    -14.46453235
  H     17.23076006      5.78583934    -12.82241346
  O     12.51260865      8.46906619    -15.48115608
  H     15.88310189      8.30834996    -14.65191605
  H     16.85991324      4.41639868    -12.20513811
  O     16.23585815      3.89173663    -10.50307971
  H     14.98111650      8.70368771    -13.46810557
  H     16.33333039      5.75860790     -9.95906854
  O     12.94953576      7.08316954    -17.73600871
  H     13.42603044      5.36636815    -10.54217465
  H     16.73047503      7.07964664    -10.63882640
  O     20.01175672      8.00073874    -13.22974591
  H     13.65916008      4.60955641    -11.85866994
  H     15.76219191      8.72276598    -18.37914279
  O     16.98995592      4.87581707    -13.04539715
  H     17.26665822      9.87459499    -14.98571461
  H     14.65451427      7.61844529    -18.30854954
  O     16.21846643      6.71451089     -9.90362725
  H     18.34557287      9.16213507    -15.81464487
  H     13.43257554      7.73407559    -11.92155286
  O     15.60084244      7.77160569    -18.43565769
  H     15.89909059      2.44920312    -17.82237775
  H     13.76580214      6.85780706    -13.14424630
  O     13.54072146      7.76275626    -12.87956750
  H     16.54654839      3.44802045    -16.82961892
  H     16.50185164     11.20820820    -18.40709749
  O     16.21578732     10.45534295    -17.89623329
  H     18.41073009      4.28663629    -15.97960166
  H     16.86196225     10.34224491    -17.17663254
          69
 Energy    -248.03354788080361     
  O     16.49006338     10.30352490    -17.39192406
  H     16.95171877      9.69651243    -16.78762536
  H     17.80663158      6.01837483    -10.98812624
  O     15.85378156      5.86828533    -13.89101195
  H     15.98263334     10.89686942    -16.82582322
  H     20.34109289     10.74931102    -16.75688777
  O     16.89642065     14.28101420    -12.73054616
  H     16.40948004      5.99360717    -13.11077522
  H     21.87270196     10.55079229    -16.84705274
  O     20.02966360      9.08373385    -14.18264838
  H     15.36895652      6.69308104    -14.00102636
  H     17.63137422      7.64922365    -15.87737746
  O     15.74976267      6.27315431    -18.41770379
  H     15.97844907     13.98347306    -12.70958410
  H     18.46903362      8.71045787    -15.09802599
  O     15.57413584     11.44050426    -10.73355675
  H     17.31007440     13.90811317    -11.94148733
  H     15.85659433      8.94499100    -12.78210835
  O     15.14344580      8.66472826    -14.46994165
  H     20.50193058      9.52071785    -14.90252905
  H     16.83541416      8.20767880    -11.83273890
  O     17.84308041     12.40954283    -14.50330324
  H     19.72821143      9.74575585    -13.54588430
  H     14.65452558      7.56744100    -17.54770941
  O     19.74574876      6.45008886    -13.42211534
  H     15.50050191      5.46588033    -18.85967375
  H     14.89466799      9.06486833    -17.37517677
  O     20.02293675      5.38487906    -16.05654585
  H     16.29186711      6.01926629    -17.64948537
  H     18.19175951     12.96165872     -9.66118659
  O     17.27767227      5.81077954    -16.23042577
  H     15.76137729     10.55800016    -11.07969597
  H     17.08807176     12.27683901    -10.50608204
  O     17.61844485      6.53240632    -11.76885892
  H     15.05175997     11.89623151    -11.40574851
  H     17.91093412     10.14427503    -12.29331465
  O     21.06764866     10.13365686    -16.55242878
  H     16.07631622      8.60418659    -14.74132127
  H     18.60869401     11.41716972    -11.75118116
  O     17.62801883      8.55518945    -15.54275792
  H     14.63758217      8.50044619    -15.28013582
  H     14.56145479     12.44217759    -13.68085446
  O     16.44043205      9.06926455    -12.02264424
  H     18.19035854     11.79452218    -13.84405676
  H     13.46196716     13.26845428    -12.98068739
  O     14.33391775      8.34281923    -17.06939730
  H     17.58530865     13.20579635    -14.01666969
  H     19.35271937      7.81404320    -18.12674942
  O     17.95886158     12.71324294    -10.55151038
  H     19.97077259      7.37112853    -13.61944742
  H     20.49692586      8.44050155    -17.29300426
  O     18.66353452     10.73691809    -12.43410064
  H     19.89033113      5.97101829    -14.24557610
  H     15.19534960     10.55394636    -14.78603626
  O     14.33886624     12.91149121    -12.86104197
  H     20.12555709      6.17535069    -16.61958593
  H     16.20112638     11.75436806    -14.85994554
  O     20.12598792      7.60101350    -17.58487198
  H     20.62685499      4.72816332    -16.39158895
  H     18.17318527     11.36964449    -17.37323287
  O     15.28822303     11.47971763    -15.04371906
  H     16.81328361      5.69332955    -15.38793036
  H     18.64262958     12.11695988    -16.12123910
  O     18.95284341     11.76123069    -16.96687843
  H     18.18751819      5.50346052    -16.13904979
  H     17.32609872      9.04878197    -18.69927875
  O     17.76780544      8.23828950    -18.97436707
  H     18.40627977      6.47600169    -12.34000554
  H     17.08576072      7.55561891    -18.94497812
          69
 Energy    -248.03347402933451     
  O     17.75794635     10.19461364    -17.89601283
  H     17.75192511      9.84215930    -16.99033536
  H     17.40919469      6.06299260    -15.80202251
  O     16.24846706      6.09525657    -12.80606491
  H     16.83301931     10.32595661    -18.13700872
  H     18.52956203      8.11788991    -11.73275164
  O     16.44376711     13.73373343    -12.64769345
  H     15.97449703      5.23498798    -12.49850566
  H     17.94276564      6.82608568    -12.34419042
  O     21.54442539      9.78518606    -14.12552532
  H     16.29825352      6.03814482    -13.77691536
  H     20.91123674      9.71807977    -17.36706188
  O     14.86944069      7.72451895    -16.97025480
  H     15.52485237     13.61042585    -12.91419931
  H     20.70603229     11.18659697    -16.95141578
  O     14.23398339     11.14108695    -11.36901203
  H     16.97363438     13.53872273    -13.43140890
  H     18.10766055      8.22685589    -15.53869317
  O     15.37660776      8.63662089    -11.96049083
  H     21.40912706      8.83241510    -14.06667057
  H     16.78375677      8.96195298    -15.13376911
  O     17.76817069     12.72950962    -14.93727422
  H     21.57263520     10.00024759    -15.06989757
  H     15.00324639     11.04864726    -17.18874107
  O     20.82040575      6.99538033    -13.89280457
  H     14.91436287      8.47129568    -17.57146722
  H     14.29428262     10.92392347    -18.55265597
  O     15.01869831      9.17345503    -14.64038330
  H     14.74276829      8.13909137    -16.10208785
  H     17.49489910     10.62745732    -10.86660808
  O     19.11922538      6.78796903    -16.09693220
  H     14.44297800     10.20838282    -11.50711317
  H     18.26911880     10.18307013    -12.12496555
  O     16.49776158      5.95526079    -15.50208533
  H     14.98729378     11.50815049    -10.88872806
  H     16.88219786     12.81296374     -9.62743686
  O     18.77062391      7.28271081    -12.15134369
  H     16.22636221      9.04214832    -11.72930814
  H     16.67775055     12.82064886    -11.16041150
  O     21.28469471     10.42562554    -16.82962058
  H     15.55985711      7.71059024    -12.16374999
  H     18.57447258     10.09449913    -14.24467662
  O     17.70363039      9.09211161    -15.39699933
  H     18.28994212     12.83408165    -15.74034938
  H     19.97370920     10.48730071    -13.70127931
  O     15.02201708     10.58051409    -18.04031936
  H     18.24317669     12.07585767    -14.39968762
  H     13.87253182     12.22532001    -12.67795846
  O     17.79891942      9.84764470    -11.34548877
  H     20.11222184      7.10069556    -13.23124425
  H     12.95870873     13.33457980    -13.24985259
  O     16.67433804     12.25194979    -10.36982142
  H     21.45644890      6.39185091    -13.51738229
  H     19.05935573      9.00400292    -18.33571961
  O     19.03019908     10.69224817    -13.63185130
  H     15.01893158     10.11961028    -14.83167558
  H     19.97193858      8.15045622    -19.24583494
  O     13.78597291     12.88283143    -13.39223699
  H     15.06063340      9.05121484    -13.68377823
  H     16.08952975     12.12820748    -15.37326574
  O     19.82776745      8.40994386    -18.33875895
  H     19.47732870      7.22641898    -16.87805029
  H     14.61499355     12.24353000    -14.89490304
  O     15.18807035     11.82287924    -15.54973266
  H     19.79522127      6.80756720    -15.40503351
  H     19.36077196     13.01837393    -18.12222331
  O     19.23674513     12.46252939    -17.35627401
  H     15.94058567      6.45182965    -16.11694882
  H     18.69161421     11.70940700    -17.63911977
          69
 Energy    -248.03313236149211     
  O     12.34353115     10.03510028    -11.35778362
  H     12.34422193      9.72081008    -12.27026309
  H     10.64968107     12.83333089     -8.84700396
  O     11.27585274     12.57664780    -11.86357714
  H     11.97521654     10.92645114    -11.38550111
  H     11.89244753      7.15147604     -6.98068580
  O     14.68529402      9.94961722     -9.96811023
  H     11.21921750     12.92711747    -10.96554019
  H     12.01839076      8.56778852     -7.58810067
  O     13.82592360      6.05861147    -11.81236491
  H     12.11239784     12.88685883    -12.24001989
  H     12.52523146     10.92185196     -7.57528597
  O     14.13364347     15.76653315    -11.42196844
  H     13.87129487      9.95513352    -10.49519987
  H     11.00097747     10.68013347     -7.62202366
  O      8.84840919     10.10047228    -10.53437673
  H     14.79696402      9.03789446     -9.66904684
  H     14.26222229      6.83350961    -10.12211225
  O     13.74391903     13.33733750    -12.78079813
  H     12.91466664      6.24576198    -12.09791245
  H     13.67944566      7.31661656     -8.77234373
  O     15.48896865     13.82821400     -9.73268586
  H     13.98751269      5.13720909    -12.00034431
  H     15.51505815     11.10097217    -11.07020331
  O     10.73484043      8.09154527    -10.22257245
  H     14.45693025     16.62847100    -11.67107989
  H     16.06307532     11.30280634    -12.50146903
  O     12.03366405     15.98922333     -9.69206684
  H     13.37549076     15.91001714    -10.83001869
  H     12.41885366     10.06321682    -14.41223838
  O     14.48772914      8.15191117    -13.61285052
  H      8.96697820     10.33542056    -11.46040107
  H     10.98881507      9.80249716    -13.87429832
  O     11.37465448     13.35758785     -9.20977130
  H      9.36488127      9.29266781    -10.39809569
  H     10.13437841     11.60340581    -12.79700697
  O     12.05418132      7.61673953     -7.79705333
  H     13.87794592     14.23131948    -12.44324930
  H      8.98162406     11.39736446    -13.80825171
  O     11.83708176     10.28363498     -7.35040542
  H     14.43390930     12.78646133    -12.38142292
  H      8.65492426     11.63961146     -7.79584502
  O     14.48298874      7.30111130     -9.30695831
  H     15.11900414     14.55917904    -10.23982538
  H      9.18975873     11.05937864     -9.12540014
  O     15.79707473     11.77729691    -11.70457069
  H     15.79725109     13.18852908    -10.38873498
  H     14.49975565     11.00975243    -14.69497992
  O     11.83802267      9.37454299    -14.04586780
  H     11.33046428      8.78938468    -10.53941042
  H     13.56983553     12.13685397    -14.23548646
  O      9.58331813     10.92968827    -13.23363173
  H     11.09304898      7.79682931     -9.37701229
  H     16.89435933      9.96870375    -14.57944248
  O      9.44194787     11.55791926     -8.32807053
  H     11.78287000     16.53391290     -8.95007797
  H     15.63494498      9.43946501    -13.85347264
  O     13.59478173     11.33599755    -14.77470440
  H     11.74009625     15.08986049     -9.47454762
  H     11.35701081      7.57971793    -13.24733029
  O     16.15094345     10.24257084    -14.04905272
  H     14.39628627      7.43672891    -12.97186944
  H     10.98815958      7.17987673    -11.80021793
  O     11.34581288      6.83831193    -12.63343769
  H     13.59473134      8.37056122    -13.89835993
  H     14.06992882     11.28651799     -8.91573345
  O     13.72425695     12.09045607     -8.50124466
  H     12.20432865     12.92532277     -8.95435021
  H     14.34420684     12.78863368     -8.75729202
          69
 Energy    -248.03310776913355     
  O     15.11007905     11.89872169    -12.41849392
  H     15.44058252     11.73843478    -13.31332644
  H     14.88666992      8.61312281    -16.95549303
  O     14.36272797      6.71661487    -14.52061006
  H     15.80572038     11.63530995    -11.80587805
  H     17.95825521      6.43750548    -15.30311440
  O     16.65951184      5.96385219    -11.14612651
  H     14.80115320      5.89587904    -14.26422207
  H     16.84799043      6.32443797    -16.35235525
  O     19.25204993      6.70159530    -11.60957831
  H     14.92257722      7.42973735    -14.17479258
  H     19.01905765      9.47331159    -12.69514340
  O     13.74657128     10.15734657    -16.59681468
  H     16.13832110      5.36953463    -10.59146875
  H     19.19114554      8.62578224    -11.45035897
  O     12.64081079      6.05096072     -9.84246138
  H     16.28632206      6.84798496    -11.01174806
  H     15.90647109      9.48136613    -13.93543092
  O     11.98338852      7.22734114    -13.31671755
  H     18.36648654      6.36466767    -11.39263384
  H     15.86054099      8.69830549    -12.57030213
  O     15.57835185      8.48144954    -10.78767839
  H     19.87626514      6.03309128    -11.33964756
  H     13.45127354     11.51222877    -12.16017048
  O     17.72923252      9.51173839    -16.30737304
  H     13.26566341     10.61461256    -17.28178565
  H     12.03610789     12.00239776    -11.76849959
  O     11.43773680      4.75377984    -12.09483273
  H     13.11530859      9.99791137    -15.87213507
  H     14.21538209      3.67887550    -11.32366692
  O     18.60634833      7.82989693    -14.16201290
  H     12.66631017      6.98692190    -10.07509617
  H     14.57385171      3.76538749    -12.81543545
  O     15.45635444      7.84197844    -16.84135447
  H     12.10439550      5.62379545    -10.52304449
  H     11.89991374      8.89705803    -14.15818979
  O     17.38923661      5.80004688    -15.75345197
  H     12.79663267      7.01073805    -13.80084230
  H     12.19049420     10.33807586    -13.69663280
  O     19.04084011      9.53644238    -11.73643898
  H     11.64485962      6.39398021    -12.96995097
  H     16.32117483      5.13002783    -12.84260971
  O     16.04562154      8.62373862    -13.51387983
  H     14.61399733      8.56793873    -10.80228217
  H     16.55972238      4.91793403    -14.37407644
  O     12.52730718     11.22981778    -12.03443011
  H     15.96736924      9.32287246    -10.52067539
  H     14.82982713      3.99900441     -8.82817544
  O     13.85969738      3.53031728    -12.20834323
  H     18.28436572      8.99317920    -15.71407365
  H     14.06722471      5.06204665     -9.65422224
  O     12.09931995      9.78530471    -14.48145500
  H     17.02290259      8.91199140    -16.58791519
  H     12.66199575      9.54558939    -11.25620968
  O     16.00585025      4.65647215    -13.62372237
  H     10.73905934      4.10985052    -12.17216779
  H     12.55387593      8.12115866    -11.84215200
  O     14.83094259      4.45667061     -9.66447179
  H     12.27687053      4.27371847    -12.21633652
  H     17.77537818     10.46212310    -10.94380162
  O     12.84538650      8.61792611    -11.06271845
  H     18.95751928      7.36668937    -13.39269457
  H     17.34619539     11.42095931     -9.80913622
  O     17.00730336     10.88531927    -10.52187054
  H     17.68866658      8.06617910    -13.94253392
  H     15.10288831     10.85591180    -15.52437507
  O     15.86650175     11.01565124    -14.95391626
  H     15.01951743      7.33517677    -16.14211437
  H     16.63316229     10.67123105    -15.43658753
          69
 Energy    -248.03307168852376     
  O     16.54739668      4.25784534    -15.86052909
  H     17.46747649      4.54149392    -15.78425821
  H     12.23601081      7.71012333    -15.17844169
  O     12.65230808     10.76123456    -10.68768135
  H     16.40932693      3.62654476    -15.14378921
  H     15.81898250      8.74195802    -13.03080301
  O     16.56626595      8.63549078    -14.69639043
  H     12.94606365     11.03371117    -11.56710437
  H     15.94357606      9.32790533    -11.58776721
  O     19.23196048      5.14612056    -15.33436611
  H     12.10596472      9.97714732    -10.82320288
  H     17.21286977      3.01373739    -13.16963444
  O     11.36921976      8.28190344    -11.28137947
  H     15.99700708      7.88598068    -14.92849592
  H     16.25350906      1.79988327    -13.22146923
  O     17.58725275      7.61884482     -9.25536873
  H     17.44170717      8.27646313    -14.50099068
  H     14.40697498     11.21016444     -8.12499414
  O     13.76580560      6.98427444    -11.06375303
  H     19.98251859      5.19486941    -15.92075258
  H     13.88433911     10.68191508     -9.48008312
  O     18.14438501     11.36507326    -12.58425957
  H     19.16806895      6.00904986    -14.88991637
  H     17.69080091      6.65951378    -10.85356592
  O     14.95981820      7.75661360     -8.63832283
  H     12.16251487      7.72824255    -11.18102464
  H     16.82808512      5.92575094    -11.92962728
  O     15.05584192      6.40829116    -15.04098987
  H     10.64426434      7.79756956    -10.89498073
  H     14.23193209     10.16910597    -12.82734728
  O     18.92783587      7.43323058    -13.87363021
  H     16.65504568      7.59358570     -8.97219437
  H     14.44476103     11.30471184    -13.82233519
  O     12.50353792      6.99514768    -15.78087068
  H     18.11463680      7.38056781     -8.49730922
  H     17.32572975      9.36976682     -9.93479056
  O     15.34275484      8.88989882    -12.20361897
  H     14.11846568      6.18545102    -11.47572693
  H     16.19776496     10.42567623     -9.76556641
  O     16.31214719      2.73199036    -13.41120344
  H     14.27905022      7.70990953    -11.45652966
  H     16.31734311     10.39945155    -14.81915637
  O     14.59872003     10.59091138     -8.82419610
  H     17.44382664     11.47289097    -13.23716588
  H     16.40371426     11.74934392    -15.56417362
  O     17.72625793      6.20494789    -11.70271969
  H     17.72771141     11.06800172    -11.76452290
  H     15.11540289      5.65513755    -13.40178147
  O     13.77413988     10.91047267    -13.25507654
  H     14.45948369      7.39537917     -9.38265893
  H     15.47300608      4.28606005    -12.76715610
  O     16.94599970     10.16924386    -10.32200221
  H     14.74560648      8.69726222     -8.59897313
  H     19.04407833      4.16423847    -13.69586656
  O     16.18102161     11.35818499    -14.72293021
  H     15.48656154      5.66533664    -15.48781994
  H     18.51896237      4.59290612    -12.31412183
  O     15.23520458      5.19637658    -12.55586558
  H     14.15625287      6.52924711    -15.37715593
  H     11.55832410      8.72825349    -13.14192162
  O     18.73969823      3.81727724    -12.84745668
  H     18.54790084      7.05795069    -13.06555761
  H     12.43609698      9.73344704    -13.90602909
  O     11.83578958      8.98734121    -14.02825989
  H     19.47311164      8.19521558    -13.62842423
  H     19.52565060     10.34546661    -12.96649509
  O     20.23468263      9.71129741    -13.16911542
  H     11.84459512      6.96930047    -16.46886880
  H     21.05373881     10.17194079    -13.01122179
          69
 Energy    -248.03293481982439     
  O     19.57682030     11.51019501    -19.50803927
  H     20.05590257     11.09764570    -20.22144646
  H     17.83070284     15.51841324    -19.38436105
  O     17.89965122     17.07568558    -14.91377201
  H     19.96745487     12.39338383    -19.37864306
  H     16.62303886     11.03037790    -12.26560331
  O     22.33133278     14.05502856    -16.79414842
  H     18.05600791     16.20931496    -15.32161056
  H     15.72414624     12.16209735    -12.79233587
  O     16.14551610     13.88560910    -13.36433507
  H     17.17715784     16.98187570    -14.27451073
  H     22.53910043     16.98158159    -14.92675194
  O     16.18031229     11.36966507    -16.90479687
  H     22.29165450     14.82690250    -16.20108179
  H     21.43114150     16.04256429    -14.42669788
  O     18.52396000     10.74617907    -12.10123866
  H     23.24485268     13.78312292    -16.82787317
  H     19.38493770     13.16450259    -13.90534803
  O     15.47663640      9.64714101    -14.79723365
  H     15.90354554     13.88899020    -14.30241044
  H     18.82671304     12.52370614    -12.61885469
  O     20.61096018     13.96505735    -19.06374825
  H     17.10284655     13.74952643    -13.30498616
  H     18.67521353      9.78234800    -15.30119267
  O     15.93882828     16.62168255    -13.04271581
  H     15.93405445     12.25868510    -16.60890543
  H     17.36903457      9.34733371    -14.61515139
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  H     15.83874672     10.74719696    -16.25170232
  H     15.39969992     15.59261796    -18.66705068
  O     16.80271158     12.19605323    -19.52366865
  H     18.53457457     10.25276028    -12.94122301
  H     15.70815086     16.72388383    -17.67592122
  O     18.56351308     15.88922175    -18.87219360
  H     18.97043137     10.20257965    -11.45781935
  H     19.32590919     16.48852940    -13.76840616
  O     15.73716623     11.21434527    -12.60159516
  H     15.48399853     10.21138769    -14.00293478
  H     19.64457527     15.12736089    -13.10859992
  O     22.16205921     16.11673739    -15.06353677
  H     14.77537539      9.01259634    -14.67776863
  H     17.15810288     18.90210244    -17.49249851
  O     18.89041953     13.36064288    -13.09541923
  H     21.22500106     14.08879872    -18.32997204
  H     17.48584947     17.76192523    -16.50412537
  O     18.32132002      9.42768892    -14.47612319
  H     20.01863889     14.72785266    -19.07345410
  H     19.21246460     10.92338109    -17.78229802
  O     15.09511535     15.99958154    -17.84552697
  H     15.56481800     16.88976642    -12.20760011
  H     17.96571310     11.03365840    -16.86992442
  O     20.03442128     15.97239391    -13.36424944
  H     15.92069973     15.65132048    -13.04656066
  H     18.49299379     15.02716377    -17.23780285
  O     17.25769694     17.95570736    -17.42930480
  H     19.80646420     12.08207495    -15.97363288
  H     19.02659112     14.10503208    -16.08722432
  O     18.91172084     10.82238257    -16.87102662
  H     20.98413801     13.12026028    -15.91378320
  H     15.98084243     14.81823181    -21.01928571
  O     18.33863878     14.73504068    -16.33084909
  H     16.47706885     11.83120085    -18.69050966
  H     16.45140140     13.83199751    -19.92525367
  O     16.32287068     14.77563327    -20.13041484
  H     17.72477754     11.92203305    -19.59720268
  H     16.68845682     14.17143288    -16.17173438
  O     15.74359549     13.96185629    -16.09748631
  H     18.22857702     16.70063497    -18.46900630
  H     15.29848121     14.63592762    -16.62753154
          69
 Energy    -248.03274069695499     
  O     -7.84321041     -2.13592006      6.15097790
  H     -6.95072133     -1.83906665      6.36090424
  H     -7.56646183     -1.68923400     -0.13008927
  O    -10.31410037     -2.03790949      2.57884947
  H     -8.41956728     -1.36519655      6.25377780
  H     -4.41630681      0.81298941      1.63011547
  O     -8.37733068     -3.58692005      3.96653188
  H     -9.71437978     -2.56573289      3.12211560
  H     -3.12884172      1.49038602      2.16825310
  O     -5.39652019      0.67379162      0.06154304
  H    -10.45211306     -1.20693169      3.04320801
  H     -7.02293755     -0.66554027      3.00487427
  O     -6.68049204      1.23407105      5.68331900
  H     -8.55501553     -4.48976989      4.21541925
  H     -7.11447215      0.50861509      4.03571117
  O     -5.15527833      5.34147945      0.88125392
  H     -8.19170571     -3.09796359      4.79007611
  H     -4.79850425     -1.13029511      5.68139985
  O    -10.40667954      1.24180674      0.63317927
  H     -5.67136556     -0.23186194     -0.12080996
  H     -4.58336615     -1.18910055      7.21493813
  O     -9.26666916      0.27149013      6.19454154
  H     -6.21276804      1.15214720      0.27398731
  H     -0.98190801      2.89527025      1.62166241
  O     -4.21385107     -1.27712269      4.07350742
  H     -6.10209351      1.89380907      5.27730474
  H     -2.30508680      3.53134469      2.11594277
  O     -4.04287829      3.15685349     -0.31627751
  H     -6.12105018      0.55020625      6.07628460
  H     -9.34514478      3.79268271      4.83439252
  O    -10.08796088      0.80518363      3.39283862
  H     -4.80706807      4.57431686      0.39216927
  H     -8.65705743      3.76512786      3.46284247
  O     -6.61638776     -1.89888135     -0.19837246
  H     -5.15558207      6.07645050      0.27372756
  H     -6.40592853     -2.29639914      1.61201785
  O     -3.90753776      0.98540617      2.43405418
  H    -11.23239466      1.65795226      0.39893821
  H     -7.01606944     -2.86231625      2.94673920
  O     -7.41693330      0.19858026      3.17268076
  H    -10.44401214      1.06572982      1.58716989
  H     -9.61757556     -1.72045530      0.93958844
  O     -5.23231665     -0.99660740      6.54424304
  H     -8.43127877      0.75351723      6.10085398
  H     -9.64492327     -0.48144070      0.04752353
  O     -1.92995905      2.80628771      1.58435980
  H     -9.75963878      0.44752515      5.38807915
  H     -3.86444095      4.17887469      3.55028170
  O     -9.41904561      3.42579928      3.95521470
  H     -4.85768900     -1.76973930      3.54601837
  H     -3.87985104      5.09644278      2.31806722
  O     -6.32159191     -2.30339253      2.57344181
  H     -3.99379712     -0.49593021      3.54977634
  H     -4.78146797      2.19898889      3.51127160
  O     -9.23156411     -1.34582899      0.13336720
  H     -3.22775147      3.01849973      0.18281793
  H     -5.88171991      3.30331175      3.54191087
  O     -3.29191012      4.70606970      2.97694131
  H     -4.47214513      2.29357659     -0.36197364
  H     -7.56527466      1.23744966      1.76056562
  O     -5.18127072      2.88712816      4.06373782
  H     -9.98497044      1.74673752      3.60423100
  H     -8.60981486      1.72622834      0.71724657
  O     -7.69322003      1.82729898      0.99817393
  H     -9.18337378      0.45899674      3.31909146
  H     -6.54419932      4.65739486      1.93006607
  O     -7.13595557      4.08371489      2.43216673
  H     -6.52405305     -2.52121082     -0.91497425
  H     -7.34174640      3.33574514      1.84961711
          69
 Energy    -248.03273640753534     
  O     13.20427267      5.46970214     -8.74188504
  H     12.51564736      5.86364643     -9.29196579
  H     11.79172992      8.18016449     -8.97351691
  O     17.77178362     11.25818810    -10.50388688
  H     13.98340370      5.40739156     -9.31236827
  H     18.53725542      4.68237750    -10.86789941
  O     11.41236203      6.94671880    -10.36343558
  H     18.21638104     10.86378656     -9.73307804
  H     18.91623938      6.12409960    -11.22058097
  O     16.37695918      9.76487676    -12.48364987
  H     18.40564155     11.85081739    -10.90206350
  H     16.19619485      5.02031026    -10.11524807
  O     18.79370861      7.85525412    -10.61715537
  H     10.56381960      6.70834896    -10.72698415
  H     15.57477807      5.90691239    -11.25903449
  O     20.21390861      7.81005971     -8.31803982
  H     11.97293741      7.20585108    -11.11594823
  H     16.71442740     11.18547517     -5.58130058
  O     17.61924330      4.13233550     -9.30941275
  H     16.78603225     10.23880842    -11.74634511
  H     16.32823257     11.10223003     -7.07661216
  O     12.98587317      7.73138238    -12.44032391
  H     15.48415131     10.11621411    -12.58296743
  H     18.62665338      7.81743669    -13.68502902
  O     15.76351567     11.86773988     -8.54087561
  H     17.89655173      8.02260273    -10.29747958
  H     17.98409314      9.13678240    -13.20500390
  O     13.66580375     10.51040401    -12.34437003
  H     18.88183108      8.23321275    -11.50322943
  H     16.28040118      8.07087729     -8.56092716
  O     14.13398094      9.98401482     -9.73714109
  H     21.14585571      7.66473545     -8.45956486
  H     15.87223665      7.23657605     -9.79852197
  O     12.14158779      8.79652741     -8.31603408
  H     19.79300399      7.81492634     -9.19742136
  H     19.39316316      9.50815092     -8.09616425
  O     18.87810961      5.22824070    -11.58523195
  H     17.56546427      3.27782292     -8.89037177
  H     18.28077363     10.38033223     -7.46039185
  O     15.43667998      5.56059205    -10.36691052
  H     17.83998272      4.77379356     -8.60995935
  H     13.46618911      6.39098296     -7.30908971
  O     16.72227138     10.60471066     -6.33738343
  H     13.84974527      7.34501683    -12.63051897
  H     13.15610418      6.59538872     -5.80694924
  O     18.82475521      8.66055069    -13.25912252
  H     13.10660755      8.68525443    -12.52028381
  H     16.40354232      6.61638730    -13.29111280
  O     16.19598126      8.10528463     -9.52333719
  H     15.05675923     11.31171162     -8.89882228
  H     15.96767124      7.91465628    -12.56786599
  O     18.90267254     10.33233481     -8.19552138
  H     16.45068064     11.85169976     -9.21786867
  H     18.96171113      6.56378738     -7.62367135
  O     13.57382359      7.00594899     -6.55968028
  H     13.77644010     10.38912609    -11.38311930
  H     17.52078814      6.57832387     -7.07926862
  O     15.71258108      6.99669346    -12.73475367
  H     13.16126798     11.30971399    -12.46712687
  H     15.30841666      7.62816681     -6.60934868
  O     18.20691516      5.99491329     -7.42936156
  H     13.40159037      9.62906450     -9.21286227
  H     16.34348804      8.80136841     -6.48960463
  O     16.23097155      7.87888959     -6.75335839
  H     14.85267031      9.33617076     -9.72311858
  H     18.34622475      5.61817915    -13.19565767
  O     17.99552797      5.99561487    -14.02333967
  H     12.56201669      8.25709025     -7.63558303
  H     18.25439826      5.40816535    -14.72749337
          69
 Energy    -248.03266882032949     
  O     18.08692901      9.21704516    -10.56764627
  H     18.75434660      9.56552882     -9.96286724
  H     19.63213201     10.74765037     -8.32798866
  O     14.52610836      9.77594528     -8.92212437
  H     17.37995326      9.86777488    -10.65778311
  H     18.64548532      9.04759963    -12.20154527
  O     19.85709195      3.45202779    -11.63574931
  H     13.84498242     10.22444930     -8.42645069
  H     18.23632418      8.45882708    -13.56313119
  O     21.08197991      7.51508847    -12.12996102
  H     15.31965153      9.78143727     -8.35671403
  H     20.97607685      6.01731825    -13.26687484
  O     16.74122571      9.97921836     -7.40037224
  H     19.99801169      2.51810041    -11.50658202
  H     20.54208386      4.55310533    -13.06829624
  O     18.31545616      5.25636796    -15.10081930
  H     18.94853977      3.55585743    -11.97134153
  H     16.79724196      4.50891296    -12.31785043
  O     20.96701197      6.39836226     -7.45122660
  H     20.33380927      7.92472198    -12.58566925
  H     17.60862879      4.25892649    -13.60585029
  O     18.64360752      7.87227564     -7.26502328
  H     21.51614479      8.24569054    -11.66656070
  H     15.41271587     10.74303326    -10.32274956
  O     17.78990636      6.67296098     -9.66115696
  H     17.35262023      9.25879431     -7.20058635
  H     15.67951935     10.54054677    -11.83885555
  O     18.49233329     12.17741137     -8.00146343
  H     17.28219283     10.76683600     -7.53525104
  H     14.54119155      8.79727981    -12.39680961
  O     18.26232984     12.58126902    -10.66305875
  H     19.19351000      5.29090421    -14.68058585
  H     15.61933853      8.74126574    -13.49397032
  O     20.01353553      9.92184507     -8.65332941
  H     18.44828680      4.93455111    -15.98831429
  H     21.29268679      9.87230355    -10.00684199
  O     18.92349773      8.97892281    -13.13021607
  H     20.84131050      6.11408927     -8.37045409
  H     21.33815469     10.49573711    -11.41054362
  O     20.67061818      5.23300670    -13.74111486
  H     21.90540079      6.53697822     -7.34685665
  H     12.96268070      7.60145619    -10.70770809
  O     17.41396964      3.89283948    -12.73419452
  H     18.19165898      7.40116744     -7.97914185
  H     14.12717883      8.43406529    -10.13208790
  O     15.99269453     11.00471650    -11.04675218
  H     19.44907084      7.36000294     -7.10253351
  H     17.27934189      6.66080523    -14.46091996
  O     15.04368241      9.34699836    -13.01039034
  H     18.65931725      6.27365785     -9.80384196
  H     16.55707922      6.87927185    -13.11228217
  O     21.77477381      9.84820563    -10.84493712
  H     17.83993678      7.57683444    -10.01300016
  H     19.66907663     10.61947115    -12.92802050
  O     13.88382383      7.81622876    -10.83875397
  H     18.66165713     12.99272747     -7.53764792
  H     20.39301697     11.90609924    -13.37496227
  O     16.83544960      7.32878238    -13.92361827
  H     18.41543555     12.40074027     -8.94704774
  H     16.59306178      6.15693389    -10.86010975
  O     20.07078160     11.44280458    -12.60493666
  H     18.89732748     12.26060958    -11.31428331
  H     15.17126982      6.51590973    -11.33632571
  O     15.96049141      6.02107548    -11.58243416
  H     17.40974116     12.18654650    -10.89529001
  H     20.65904143      6.36915631    -10.78215655
  O     20.37735676      5.73603911    -10.10598394
  H     19.65812054      9.20906755     -8.10585854
  H     20.25359907      4.88511887    -10.54564339
          69
 Energy    -248.03242549316255     
  O     11.57089971      9.85622629     -9.72469783
  H     12.45165371     10.03370589    -10.09706322
  H     17.24249106      9.98376364    -11.83092972
  O     12.90972208      9.32370636    -16.56725389
  H     10.96492384      9.88292496    -10.47602795
  H     17.31972744      7.77056800    -13.18574017
  O     12.51804755      7.04779840    -10.30805090
  H     13.04560405      9.46126919    -17.50094277
  H     15.95529766      8.47434689    -13.34008436
  O     14.44785554      8.81222825    -14.28131780
  H     12.28256596     10.00916769    -16.27352649
  H     11.62047115     15.13751773    -11.07403676
  O     11.04433371     11.09241724    -15.66500066
  H     13.47026302      7.20498600    -10.22867396
  H     11.98865578     13.76535757    -10.46669094
  O     12.24774634      8.00198226    -12.86248511
  H     12.09062323      7.79877949     -9.88466075
  H     15.77228844      7.87723160    -11.11092813
  O     15.59777400      8.98642100     -7.79758791
  H     14.06601644      8.93915735    -15.15935119
  H     14.78281381      8.85840699    -10.46744371
  O     14.04338050     10.46524986    -10.71311340
  H     13.72770963      8.47609822    -13.72324966
  H     17.24066838     13.30581697    -13.47800617
  O     12.91843549      9.68801001     -7.24213109
  H     10.26594533     10.58502707    -15.40413484
  H     16.93085465     12.20968924    -12.42680527
  O     14.96139621     14.30225098    -11.01134165
  H     11.23315345     11.67851862    -14.92061137
  H      9.80084762      9.81663030    -12.96161279
  O     11.68992987     12.36185782    -13.23487590
  H     11.66001222      8.74621280    -12.67795885
  H     10.82362234     10.90868759    -12.56012296
  O     17.45794674     10.86234360    -11.49803497
  H     12.34103448      7.51544131    -12.03225189
  H     14.96389023     13.20330822     -9.62001286
  O     16.70232694      8.34138676    -12.73398417
  H     14.69512099      9.19696575     -7.52237137
  H     15.66595544     12.11020347     -8.74906808
  O     12.06576745     14.31584323    -11.26589234
  H     15.51715775      8.44028662     -8.59091843
  H     15.05217367     11.93009422    -13.34566575
  O     15.16866165      7.97240047    -10.36759753
  H     14.11470433     10.81782691    -11.60777445
  H     14.39821753     10.55635309    -13.74925493
  O     16.53285106     12.90869196    -12.97855351
  H     14.34241647     11.15289212    -10.10309505
  H      9.65214490      8.59238892    -14.90712582
  O     10.42335655     10.07541399    -12.27103127
  H     12.63398848     10.42245461     -6.70030423
  H      8.16960013      9.03542652    -14.87889527
  O     14.81135765     12.49698054     -8.97151051
  H     12.32669618      9.68913847     -8.00697806
  H     16.64906510     10.25162386     -8.28892508
  O     14.23764023     11.41150163    -13.33019776
  H     14.03622119     14.36652555    -11.27713868
  H     17.91731155     11.10908122     -8.06239949
  O      9.04840070      9.30218053    -14.62373899
  H     15.45257760     13.92830215    -11.75234863
  H     11.70998488     11.78190097     -9.22870290
  O     17.17359656     10.99125445     -8.64724065
  H     11.71273619     13.10878618    -12.62539972
  H     12.95362216     12.62077160     -8.85621825
  O     12.01146443     12.68316559     -9.07298518
  H     12.60629078     12.05383742    -13.31606352
  H     11.63029300      7.98056593    -15.88384394
  O     10.99722473      7.52821609    -15.31449555
  H     17.37822814     10.83837541    -10.53646064
  H     11.42741937      7.47932386    -14.44824368
          69
 Energy    -248.03241724398362     
  O     -8.44500754     -3.80569559      5.33871891
  H     -7.71502751     -3.26520184      5.69140706
  H     -7.93166505      0.01779071      4.44105487
  O     -9.64776814     -1.46990543      1.98903250
  H     -8.50630869     -4.57969315      5.89288241
  H     -6.96374798     -1.25538343      6.43642424
  O     -8.05898180     -3.72705733      2.51901498
  H     -8.96919345     -1.09567093      2.57419201
  H     -5.97968634     -1.92452481      5.44910592
  O     -5.47355196      1.80848250      1.22518711
  H    -10.48872204     -1.35330288      2.44861895
  H     -1.23712818      3.11930760      3.35017802
  O     -5.47047566      5.54209792      3.50817586
  H     -8.18380464     -3.82965646      3.47089208
  H     -2.66496836      3.41562673      2.82559457
  O    -10.07750501     -1.49120636      5.69803029
  H     -8.72572337     -3.08973795      2.23288958
  H    -10.17745756      2.35457275      4.92161410
  O     -5.26694944     -1.50135580      3.80672828
  H     -6.38635222      2.02939947      1.43724804
  H     -8.89354794      3.13057751      5.22792856
  O     -3.83170989      4.05318772      1.68524919
  H     -5.52149431      0.98403351      0.71647729
  H    -10.17076916      1.86893286      2.70492332
  O    -11.75795541     -0.85239841      3.67596873
  H     -4.93356277      5.16037740      4.22646533
  H    -11.23978304      0.95850464      3.35464515
  O     -6.03977000     -0.56580305      0.01446649
  H     -5.49250445      6.48490642      3.65035156
  H     -6.52289757     -3.32853798      1.82108531
  O     -4.07740165      0.94487247      3.47309904
  H     -9.44854638     -0.86850314      6.07748280
  H     -5.21731526     -3.75932863      1.10898205
  O     -7.72730355     -0.20666232      3.52519693
  H     -9.59809605     -2.32138356      5.58018596
  H     -9.22436193     -0.57166513      0.51622558
  O     -6.54681224     -2.09542360      6.21549708
  H     -4.69564114     -0.73047824      3.67980921
  H     -9.44125319     -0.03901400     -0.92160247
  O     -2.16134798      3.00089702      3.55025114
  H     -5.23966656     -2.04056906      3.00675272
  H     -7.11895625      0.90480960      6.17134164
  O     -9.55454297      2.55675680      5.63426260
  H     -4.42366586      4.64156918      2.17031110
  H     -8.63478493      1.16097893      6.18094436
  O    -10.92110473      1.86842032      3.30689508
  H     -4.38072162      3.32638836      1.36082994
  H     -4.55121561      3.47479751      5.66031058
  O     -5.67204973     -3.00473950      1.47399537
  H    -12.66033409     -1.05536618      3.90642119
  H     -3.25897463      3.82614879      4.89699489
  O     -8.86529430      0.02373771     -0.16392804
  H    -11.21149937     -1.07088540      4.45297928
  H     -5.19366156      1.55187179      4.83944670
  O     -7.97205525      0.45454238      6.26254405
  H     -6.98528142     -0.46675618     -0.14931375
  H     -6.38272769      2.53864156      4.97256912
  O     -3.99977283      4.21564652      5.37891682
  H     -5.92065387     -1.41742111      0.45156086
  H     -8.03999609      1.18965071      2.49731393
  O     -5.78402426      1.96978003      5.48038611
  H     -3.30300184      1.51333181      3.55788796
  H     -8.51443500      1.45717087      1.05136334
  O     -8.27533380      1.89985668      1.87529392
  H     -4.55363002      1.24117798      2.68324562
  H     -6.89269870      4.35984638      3.73163054
  O     -7.47514753      3.63221443      3.98395137
  H     -6.88286948     -0.67439997      3.53908913
  H     -7.81167472      3.22567323      3.17627737
          69
 Energy    -248.03240290172494     
  O     21.16186322     11.96801892    -18.67711097
  H     21.48310664     12.77659108    -18.23842719
  H     20.55268869     18.66400977    -17.20021519
  O     16.21754467     17.94974616    -13.45803612
  H     21.85267110     11.67698757    -19.26560087
  H     15.41484823     12.06892477    -14.58311536
  O     22.16702463     14.41170000    -14.60790807
  H     15.83780891     18.75416774    -13.11518323
  H     16.77004581     11.74619874    -13.91453526
  O     14.16012330     13.47988712    -14.54211315
  H     16.56160567     18.16065521    -14.34576887
  H     20.19438384     16.75780069    -13.65696273
  O     16.99583631     12.23505476    -17.22026914
  H     22.97651048     14.36326899    -14.10685485
  H     20.74901789     17.32340187    -14.98399499
  O     18.57709024      9.48881979    -12.19041320
  H     21.78072969     15.29032020    -14.43761225
  H     18.75355748     12.38106242    -13.21525521
  O     21.79186313     14.28222920    -17.41071456
  H     13.21401614     13.43007291    -14.43591892
  H     18.23062304     11.23363296    -12.30193644
  O     19.28553351     15.69010849    -17.71181441
  H     14.48075140     14.15279259    -13.91411029
  H     17.24597099      9.87803844    -14.85220764
  O     15.18589189     15.34314635    -12.88462970
  H     16.71670019     11.83412542    -16.38498450
  H     18.63521908      9.74368084    -15.49752963
  O     19.84383038     12.84324560    -14.53344643
  H     16.54925031     13.09273636    -17.21297311
  H     17.44845765     16.56537095    -18.21719374
  O     18.74171434     13.44034611    -19.15535521
  H     18.48238992      8.65058931    -11.74704481
  H     16.10971381     16.14052501    -17.61196669
  O     20.08869792     18.08624841    -16.59845418
  H     18.45009222      9.30733549    -13.13783720
  H     18.24715488     15.79210925    -12.28983943
  O     16.18348929     11.48782203    -14.63829369
  H     22.02659042     14.32553811    -16.47575226
  H     17.78745487     17.08647369    -13.00868245
  O     20.98715805     16.80064930    -14.20905152
  H     21.01821914     14.84824763    -17.51758429
  H     16.94038897     18.00296355    -16.61202315
  O     18.05571754     12.14252119    -12.58636441
  H     18.89555166     15.45734599    -16.85428484
  H     18.26626934     18.48904571    -16.00345465
  O     18.03341517      9.31850738    -14.87388717
  H     19.09178087     14.96013140    -18.32017040
  H     17.41703305     14.30526151    -10.37739625
  O     16.57000727     16.89587714    -18.00589699
  H     15.87696686     15.02528811    -12.29084394
  H     17.61906080     13.58880175    -11.73309019
  O     18.52874646     16.47336010    -12.91383346
  H     15.43662324     16.24137562    -13.13206425
  H     20.10865730     11.22579829    -17.33307288
  O     17.31731742     18.45997760    -15.84574124
  H     20.69907504     13.28959886    -14.53132577
  H     18.63589293     11.46624255    -16.91313279
  O     17.39774173     14.44219861    -11.32097235
  H     19.83080744     12.19171903    -15.24855044
  H     18.71827078     14.16028334    -15.06094243
  O     19.47235985     11.07195775    -16.62411374
  H     19.52734805     12.87980161    -19.16813343
  H     18.27655433     15.54258216    -14.52078703
  O     18.19924457     14.94718381    -15.27505064
  H     18.07409221     12.94965846    -18.66022527
  H     15.09025585     14.30086064    -15.96781108
  O     15.76426185     14.64560774    -16.56435943
  H     19.85257444     17.29132949    -17.10437352
  H     16.56321606     14.77689026    -16.02873015
          69
 Energy    -248.03236554784766     
  O      3.83579118     -5.11443621      4.00641039
  H      3.89913631     -4.63680862      4.82968890
  H      1.12620347     -8.61671248     -3.04866392
  O      3.24208526     -3.67138978     -2.45876787
  H      3.43616163     -4.51073626      3.35868444
  H      2.94534059     -7.85117778     -1.40701129
  O     -0.66269989     -7.84363300     -0.55299688
  H      2.42381517     -4.17901539     -2.38506451
  H      4.25899938     -6.99582489     -1.27373686
  O      0.21212400     -2.67229415      2.58673952
  H      3.02038118     -2.86912523     -2.94835273
  H      0.25229142     -3.76191914     -3.41916595
  O      2.73500969     -3.59979221      1.98784255
  H     -1.15967080     -7.03236799     -0.71702929
  H     -0.80785331     -2.68203848     -3.17401916
  O      5.17166285     -5.63538489     -1.89544643
  H     -0.38331185     -7.80191332      0.37190931
  H      5.08600749     -2.98571520      0.06513768
  O      5.77990686     -6.00008161      2.14022433
  H      1.13125793     -2.94294948      2.42963408
  H      3.85730744     -2.95120333     -0.86139764
  O     -0.29002226     -1.60018027     -0.02344636
  H      0.21268492     -2.12515419      3.36830591
  H      2.72521801     -6.29273619      0.03324716
  O      4.63846823     -8.53858844      1.56329319
  H      2.46423389     -4.36596277      1.45691131
  H      1.59969177     -5.37034747     -0.48040683
  O      2.65950699     -7.71698683      3.49602589
  H      3.28852327     -3.07525919      1.39488223
  H      1.33703708     -1.82416004     -3.71921393
  O      0.87599476     -5.20275060     -2.23748024
  H      5.71560496     -5.19208739     -1.23305768
  H      2.30252302     -0.83630374     -4.41822640
  O      1.32690179     -7.98284060     -2.36532181
  H      4.57541385     -4.95644665     -2.23891750
  H     -1.86957971     -4.29122599     -1.25862982
  O      3.67643587     -7.62669203     -0.81940099
  H      5.50008870     -6.90399034      1.95207597
  H     -1.48372960     -5.03182695      0.04897487
  O     -0.04734236     -2.89994498     -3.72949400
  H      5.20896257     -5.69244269      2.85468385
  H     -0.79226540     -5.74586165      2.05119644
  O      4.24163275     -2.53862325     -0.07386073
  H      0.56379621     -1.22544876     -0.28311735
  H     -0.83612175     -4.19863609      2.15220563
  O      2.07664538     -5.63393119      0.31384101
  H     -0.18611741     -1.92435165      0.87677765
  H      0.95692278     -6.61351859      1.36343999
  O      2.18306517     -1.35079876     -3.62481464
  H      5.02990734     -9.40451600      1.48020115
  H      1.06015917     -7.49010802      2.61152397
  O     -1.51081465     -5.11921300     -0.91809953
  H      4.29256124     -8.30213539      0.68585799
  H      7.42446828     -4.06532117      0.29613219
  O     -1.29759658     -4.96388211      1.79026811
  H      3.02101605     -6.86816963      3.77715326
  H      6.25928792     -4.86105351      0.92942324
  O      0.42835349     -7.16978064      1.95474024
  H      3.31451989     -8.08930216      2.89282960
  H     -1.44470841     -2.14481238     -1.14509650
  O      6.48705360     -4.22574818      0.22703719
  H      1.04692505     -6.12947925     -2.44928303
  H     -2.85426302     -1.96560655     -1.76509232
  O     -2.06849280     -2.50291619     -1.80597537
  H      0.01645757     -5.15768428     -1.78691687
  H      2.97625739     -1.12680794     -0.49489703
  O      2.19688547     -0.66779626     -0.82959584
  H      0.60739592     -8.03543409     -1.70844512
  H      2.21940571     -0.77255708     -1.78906562
          69
 Energy    -248.03225750176432     
  O     13.99066700      8.55550556    -10.79076066
  H     13.67760578      9.25739961    -11.38095932
  H     16.08313990      4.10479430    -16.06274441
  O     12.45159307      9.92161821    -16.23364232
  H     13.51539144      7.75093318    -11.03366007
  H     16.90876130      6.21335236    -11.69131422
  O     15.93456838     11.10931447    -13.51073385
  H     12.20486677     10.69204095    -15.70698441
  H     16.94742186      5.22981992    -10.48844055
  O     14.79677867      4.61300670    -12.72898060
  H     12.38777897      9.16276717    -15.64007874
  H     19.01386065      8.39088552    -13.78311697
  O     17.63709014      7.75350019     -8.07674684
  H     15.06743900     10.78022847    -13.23614992
  H     18.28813461      8.47068776    -15.13080553
  O     14.71011036     12.71425504    -15.46707954
  H     16.43895414     11.28329563    -12.70752337
  H     13.07269934     12.52196329    -14.87304054
  O     16.22744884      7.74216593    -12.27882428
  H     15.61426198      4.69374245    -12.22424530
  H     11.64538247     13.00474063    -14.51485861
  O     13.32388159     10.28655603    -12.83958182
  H     15.07210303      4.54239816    -13.65105661
  H     12.52065625      7.34415636    -13.47794637
  O     18.62613851      9.10864934    -12.07525389
  H     18.27371770      7.57446907     -8.79322397
  H     13.59001283      7.71744131    -14.52345215
  O     17.34438202     11.43100360    -11.08848316
  H     18.14981751      7.95774957     -7.29901755
  H     14.70951921     10.62939124    -18.36817758
  O     18.28052901      5.25715683    -14.09244775
  H     14.81694999     12.14424700    -16.23865719
  H     13.96885461     10.30233533    -17.05074101
  O     15.98170672      4.71871814    -15.34172399
  H     15.25358177     12.31327811    -14.77421680
  H     12.08732484      5.68565930    -11.53723053
  O     17.26565548      5.35950337    -11.39400298
  H     15.88952819      7.57853560    -13.16897191
  H     13.47949761      5.65175263    -12.20270574
  O     18.89052512      7.91952141    -14.61744795
  H     15.49437355      8.05138119    -11.73375822
  H     16.03885657      4.85818616     -8.05492835
  O     12.20751556     12.23542339    -14.52810211
  H     13.09235910      9.49120547    -13.34282187
  H     16.69131858      6.19436502     -8.44723306
  O     12.70187498      7.95018089    -14.20487748
  H     12.85371080     11.01748878    -13.25834071
  H     19.18899964      7.87941581    -10.82683559
  O     14.81523427     10.61034529    -17.42071740
  H     17.77335012      8.65444210    -12.17688520
  H     18.80462068      6.40547325    -10.60669778
  O     12.76147379      6.24371845    -11.91662780
  H     18.40769069      9.99119655    -11.75800039
  H     15.82170498      8.03551430    -15.26945531
  O     16.32077778      5.37419894     -8.80620227
  H     16.87988935     10.87732671    -10.43480480
  H     15.52901989      6.48618235    -15.17628175
  O     19.22711509      7.15928107    -10.18085576
  H     17.59552713     12.23456809    -10.64162290
  H     15.27782523      9.35204516     -9.70068676
  O     15.25090409      7.36075812    -14.87767185
  H     18.56726477      6.16351101    -14.28443446
  H     16.56542030      9.10162521     -8.87995068
  O     16.07144011      9.78066425     -9.35413271
  H     18.12930541      5.19644449    -13.14284228
  H     16.20225931      9.88701318    -16.38342453
  O     16.74902562      9.52519003    -15.67463063
  H     16.86629567      4.84604082    -14.94859359
  H     16.57487043     10.07193386    -14.89385931
          69
 Energy    -248.03222041580068     
  O     -4.92612586      3.51006997     -2.65096714
  H     -5.28442768      3.35064204     -1.76787704
  H     -6.31749091      0.42494340      1.53763729
  O     -1.15119784      2.73574981     -3.99505499
  H     -4.58656721      2.65621716     -2.94872007
  H     -4.50058662      1.15411204      3.12011722
  O     -5.48533762      2.72080689      0.00441220
  H     -1.00138236      3.07219491     -4.87398616
  H     -4.49464611     -0.17380462      2.36808521
  O     -3.36411498     -0.93226011      1.18082763
  H     -1.55149210      3.46234480     -3.47940394
  H     -0.74556391      0.43037399      2.13167688
  O     -0.57484692     -1.07133686     -1.40363130
  H     -6.13188708      2.03534779      0.20804738
  H      0.42504693      1.34997663      2.47481148
  O     -3.36493188      1.16697585     -3.15692753
  H     -4.63902003      2.25487090     -0.08326039
  H     -1.07650323      3.74251767      0.26285932
  O     -5.15998619     -1.44210366     -0.81946067
  H     -3.27523562     -0.12883594      0.64138163
  H     -0.66799627      2.42752145      1.03651734
  O     -3.13619685     -1.57783691     -2.64334188
  H     -2.46893371     -1.23523208      1.37300591
  H      2.49951613     -2.67325630      2.27819883
  O      0.30536584      1.54716590     -1.95196299
  H     -1.42035035     -1.27705484     -1.81793838
  H      2.13465789     -1.95107977      0.95777786
  O     -0.67466735     -1.27639146      1.38338852
  H     -0.34188237     -0.16500037     -1.64934569
  H      2.39533156      1.10460900      1.09844114
  O      2.14298639     -1.69748848     -0.78052736
  H     -3.26267430      0.20745762     -3.17667697
  H      2.19853962     -0.01081293      2.12964461
  O     -6.88421395      0.39728071      0.74564639
  H     -2.58247813      1.56884864     -3.55507469
  H     -2.81143260      2.51484399      4.44908640
  O     -5.08479521      0.45401544      2.81251114
  H     -4.55311041     -1.47992007     -0.06390421
  H     -2.09438046      1.96109987      3.20575011
  O     -0.54328203      1.31257766      2.47315050
  H     -5.86242532     -0.85285248     -0.52745675
  H     -2.33067022      1.91655217     -0.19867424
  O     -0.78316555      2.82790184      0.16478412
  H     -3.26580837     -2.34591361     -3.19415850
  H     -3.18781927      1.29279603     -1.33703590
  O      2.01050503     -1.93585292      1.92404918
  H     -3.89651241     -1.54362242     -2.03513272
  H     -2.68938000      5.04197213      0.75670905
  O      2.14339215      0.94668927      2.01602313
  H     -0.04934856      2.04458278     -1.19708268
  H     -1.74401201      6.24169128      0.50291636
  O     -2.93730914      2.32206199      3.52190589
  H     -0.08218464      1.93493467     -2.74570533
  H     -3.32594155      4.35306201     -2.57731986
  O     -3.09290093      1.35283226     -0.37680614
  H      0.18225834     -1.59983556      1.68349516
  H     -2.23892274      4.93773221     -1.64124975
  O     -1.93219359      5.34972257      0.22518344
  H     -0.63132883     -1.21415690      0.41731754
  H     -4.59944233      3.85071129      1.17121262
  O     -2.39163700      4.60964738     -2.53259429
  H      2.49013138     -0.79947617     -0.86491771
  H     -3.61773964      3.65079146      2.35101220
  O     -3.91676523      4.29199619      1.69516412
  H      1.24199720     -1.66098359     -1.12686516
  H      1.93968281      1.29526577     -1.29566541
  O      2.76458175      1.08231943     -0.82802369
  H     -7.76761453      0.21068090      1.05296055
  H      3.45413253      1.59661132     -1.24069083
          69
 Energy    -248.03218074615285     
  O     -3.70112779      0.63782162      0.17511131
  H     -3.93423632     -0.30845139      0.16345753
  H      0.48291136     -5.89581853      1.74692843
  O     -3.57364779     -1.39556280      6.69330857
  H     -4.34095327      1.08125059     -0.37608461
  H      1.73370763      0.02207550      2.71473847
  O      0.36610835      1.27963017      2.20397470
  H     -2.62637703     -1.42688415      6.49334320
  H      2.22235890     -1.41899121      2.42997068
  O     -3.90277562      0.63822334      3.02927895
  H     -3.70147499     -0.60831841      7.21905398
  H      0.09715402     -2.57150063      1.54390305
  O      1.85883115     -1.65982894      5.56498701
  H     -0.26879952      0.74124688      2.70934085
  H     -1.22313721     -2.50044799      0.71857285
  O     -0.92575550     -1.75576831      5.84972878
  H      0.30543602      2.16823012      2.54656732
  H     -1.68117522     -3.77106159      2.43825644
  O      1.44841985     -4.42578941      4.98329888
  H     -3.91932552      0.74831831      2.07180269
  H     -3.10732870     -4.32305247      2.69089782
  O     -4.87019940     -1.68211875      4.19608182
  H     -3.01034687      0.31964248      3.22656785
  H      1.89875383     -2.93144303      0.39893484
  O     -0.90095430      0.67918890     -0.29608854
  H      2.56231141     -1.33845947      6.12237986
  H      2.04366964     -3.73310976      1.73157821
  O      2.10475552     -5.39839834      2.56094846
  H      2.01410947     -1.29053436      4.67652284
  H     -4.83622720     -2.95765178      3.08823507
  O     -0.37801697     -5.25703892     -1.28969509
  H      0.03403928     -1.64750970      5.85968561
  H     -5.63470477     -4.10179044      2.41644848
  O     -0.35653868     -6.04469316      1.29366151
  H     -1.09493581     -2.70023438      5.72422232
  H      0.99919633     -3.91416495     -1.40240370
  O      2.25474289     -0.70187515      3.07928444
  H      0.51955464     -4.55155323      5.21404320
  H      1.09244109     -2.39994135     -1.68444760
  O     -0.85829866     -2.43890212      1.60980224
  H      1.66092795     -3.51088996      5.20443268
  H     -1.24159016     -0.84715577      4.28557733
  O     -2.17036621     -4.50586714      2.83969952
  H     -4.50225577     -1.64232334      5.08671607
  H     -1.23953013     -1.12861062      2.75605634
  O      1.88077640     -2.85578200      1.36489323
  H     -4.65792527     -0.83414469      3.77933654
  H     -0.36424117     -0.38729669     -1.52181483
  O     -4.78493759     -3.66995071      2.42222775
  H     -1.84518841      0.71913387     -0.09585929
  H     -0.11427981     -0.58960677     -3.03484524
  O      1.58676006     -3.15119409     -1.33238259
  H     -0.42816163      0.91121245      0.51080804
  H     -1.35899475     -2.26522770     -1.50949691
  O     -1.34976700     -0.43268178      3.42159604
  H      2.87335741     -5.95847147      2.62943416
  H     -1.45307781     -3.76839073     -1.13764263
  O     -0.15179683     -1.05238278     -2.20247640
  H      1.90152024     -5.08608125      3.46109140
  H     -1.67960789     -4.54849853      4.51903869
  O     -1.86349175     -2.90642925     -0.99127190
  H     -0.46696405     -6.02277558     -1.85031830
  H     -1.96050015     -4.98018760      5.97970014
  O     -1.34768355     -4.49656378      5.43164035
  H     -0.36641755     -5.58172915     -0.37143027
  H     -4.43672644     -2.57516668      0.88809725
  O     -4.23542927     -2.01032175      0.13405835
  H     -1.04303036     -5.65663838      1.85068357
  H     -3.48820481     -2.41591048     -0.32792007
          69
 Energy    -248.03215473914577     
  O      2.89110905      0.31001162     -1.09703507
  H      3.67951424      0.61982321     -0.63042883
  H      1.70620747     -0.03395662      7.20795225
  O      4.65571701     -0.63711097      6.40475748
  H      2.22753629      1.00091058     -0.98246336
  H      1.80578618      3.80263187      6.80110473
  O      6.77639449     -1.72258236      4.81865286
  H      4.55738203     -0.08382642      5.61496931
  H      2.05509662      2.84815602      5.60915271
  O      6.87389369      3.14685155      1.18057800
  H      3.95106690     -0.34220305      7.00211435
  H      5.08879480      0.01787867      3.14260353
  O      1.89681999     -1.94994437      0.02019035
  H      7.52171558     -1.14123103      5.01650797
  H      6.00753138     -1.22117663      3.26214745
  O      4.91968462      1.19601984      0.61234958
  H      6.12270381     -1.54022721      5.50526991
  H      1.33708278     -1.86121765      5.99327173
  O      2.79845508     -2.59270220      5.37885071
  H      7.31238246      3.80267637      0.64569919
  H     -0.03447109     -1.87178854      6.71171875
  O      2.91452634     -1.83281300      2.63171002
  H      6.27491000      3.62527244      1.78240279
  H      3.35052683      1.31632902      4.12721451
  O      0.74091416     -0.33784095      3.62029942
  H      2.29634005     -1.18842720     -0.43773671
  H      4.71433200      1.86401413      4.58228434
  O      6.58610061      1.55217089      6.75462078
  H      1.82652496     -2.65264516     -0.62038996
  H      9.63231544      0.36450053      5.33336783
  O      0.86475257      2.17832661     -0.26267591
  H      5.16362417      0.45212814      1.17774409
  H      8.48866838      0.68979579      4.34240538
  O      2.45090140      0.43480928      7.60366931
  H      5.63667746      1.84100334      0.66825988
  H      2.14080399      2.78431075      0.93749347
  O      2.37981595      3.10691888      6.48921699
  H      3.52104751     -2.07493509      5.75428197
  H      3.54296061      2.26284210      1.31776926
  O      5.52699788     -0.67714826      2.61948865
  H      2.87989358     -2.51710757      4.41956809
  H      7.19206906      0.39361465      2.57991808
  O      0.57537022     -1.30656412      6.24466205
  H      2.58887756     -1.98320997      1.73423723
  H      7.66759630      1.81291994      2.22784518
  O      4.27866917      1.07770808      4.22766562
  H      3.82437709     -1.52312500      2.55083093
  H      0.02370493     -0.12891519      1.90695068
  O      8.68309686      0.38323126      5.24613044
  H      0.53534633     -0.65746606      4.50771637
  H      0.45006506     -0.79513791      0.58984454
  O      2.84372542      2.87096598      1.59444460
  H      1.50900638     -0.83909653      3.30934988
  H      5.67557589      2.91112308      6.01654292
  O      7.90145446      1.02660564      2.73550767
  H      6.01398841      0.78953565      6.89043678
  H      4.20622341      3.42838519      5.95177406
  O     -0.07080552     -0.06554068      0.94745852
  H      7.36947905      1.21227428      6.30273014
  H      1.24523236      1.35652858      3.85937059
  O      5.05125498      3.42997244      5.48489842
  H      0.45287815      1.41500977      0.18131779
  H      2.02522426      2.51143319      3.14854511
  O      1.70694501      2.19413315      4.00582145
  H      0.17712726      2.61343500     -0.75920168
  H      4.19766201      3.98353419      2.46649146
  O      5.04881099      4.29349927      2.79868392
  H      2.39086890      1.35271389      7.31264013
  H      5.06807422      4.11962194      3.74938715
          69
 Energy    -248.03214718645685     
  O     11.75661552     10.68069268    -14.89685442
  H     11.34661998     10.08736770    -14.25591246
  H     19.28412230      7.57824723    -14.68608291
  O     15.82500621      6.71970358    -13.06613836
  H     12.19517622     10.11403548    -15.54528415
  H     15.91556754      9.26609238    -14.97049738
  O     17.24493653     10.30897444    -11.44618285
  H     15.55626390      7.51507802    -13.55144894
  H     14.39868090      8.97052989    -15.07838052
  O     17.35422872      9.73593844    -15.99415880
  H     16.62793152      6.93939496    -12.57547529
  H     11.45703531      9.04891045    -12.19470502
  O     13.24102152      6.15038870    -16.21870778
  H     16.34880941     10.51376027    -11.75531223
  H      9.93816125      8.93381108    -12.45176434
  O     14.24235862      9.00239261     -8.62222593
  H     17.19727656     10.28054720    -10.48227424
  H     17.24467903      8.05457627     -8.81419773
  O     13.68848695      6.46484058    -11.39690612
  H     17.73924598      8.86136771    -16.15337914
  H     17.65041462      7.11997026     -9.96143666
  O     14.71669305     10.72890603    -12.39724840
  H     17.86376406     10.15660739    -15.29072218
  H     12.60719226      6.35312960    -12.94029550
  O     14.75169376      6.18212071     -8.79762362
  H     12.84823287      6.24733562    -15.33174163
  H     11.59408824      7.31121296    -13.58458723
  O     18.31038654      7.14058210    -16.28524522
  H     12.72788422      5.48545559    -16.67073436
  H     18.26102554     10.61187988    -12.91092521
  O     16.04528289      5.79623242    -15.67294652
  H     14.31335166      8.04177575     -8.55695393
  H     19.32890638     11.45251259    -13.63880673
  O     19.68115527      7.92952296    -13.87951552
  H     13.65956831      9.16811808     -9.37380025
  H     18.72338869      7.59304873    -12.38892579
  O     15.13889551      9.00535896    -14.45918477
  H     14.47713753      6.47691864    -11.96207682
  H     17.76125461      8.52728445    -11.60480096
  O     10.78752925      8.90776915    -12.88545680
  H     13.98582138      6.24408464    -10.50652425
  H     16.95841169     10.47209445     -7.91809993
  O     17.27996586      7.12457776     -9.06784981
  H     14.83767809     10.12698427    -13.14801117
  H     15.85349740      9.68391146     -8.65867587
  O     12.14619980      6.54195946    -13.76759609
  H     14.23236193     11.49692759    -12.73310085
  H     16.11822050      9.99730639    -17.33878062
  O     18.77160797     10.68348534    -13.73400099
  H     15.68787091      6.43494118     -8.89279277
  H     15.46346039     10.80374461    -18.46980659
  O     18.04794403      7.60809839    -11.69630263
  H     14.71972601      5.48898992     -8.14390453
  H     13.51221679      9.70625921    -11.51686243
  O     16.79088635      9.94742451     -8.69647930
  H     17.50248054      6.62683150    -16.10608016
  H     13.17760078      8.20471805    -11.21718222
  O     15.37423012     10.00155753    -17.96005897
  H     18.75954677      6.70195116    -17.00295265
  H     12.64266896     11.98398590    -14.11272065
  O     12.86728144      9.11576876    -11.10090857
  H     15.13436080      5.88500359    -15.97484823
  H     12.69699433     13.44658886    -13.63639413
  O     13.17230812     12.62166238    -13.60209577
  H     16.00783295      5.92091926    -14.71370690
  H     13.22409364      7.98405330    -16.57905727
  O     13.25466899      8.94662213    -16.51153829
  H     19.52237178      8.88130882    -13.89539013
  H     13.92620651      9.27626277    -17.12651934
          69
 Energy    -248.03201327867478     
  O     16.98366230     11.83774955    -13.04965268
  H     17.15903974     11.26610140    -12.28652354
  H     13.13969552      6.45418334    -14.62067864
  O     16.64949466      9.61276648     -6.92257525
  H     17.48680476     12.63439477    -12.89843358
  H     12.78267025     11.53649063    -10.85254913
  O     16.73150528      5.85401722    -11.43738151
  H     16.97274863     10.37442777     -6.44822189
  H     12.25991598     11.09476938     -9.47382562
  O     13.32444433      4.71857162    -10.86217309
  H     16.12109959      9.96121410     -7.65849186
  H     16.26482863      8.65455966    -15.95419381
  O     18.40389727      7.70133738    -10.01207905
  H     16.27786006      5.25125298    -12.03985632
  H     15.84891245      8.47244471    -14.47760653
  O     17.26971155      7.00623799     -7.45187156
  H     16.20098833      5.88095344    -10.62703257
  H     15.88997004      6.18832587     -8.45748060
  O     17.23223807     10.02458968    -10.95614086
  H     13.92431330      5.00632144    -10.16370237
  H     14.56663002      6.69290976     -9.07184623
  O     10.02260051      8.32577168    -10.75939163
  H     13.87513051      4.54547396    -11.63572360
  H     13.28165957     11.05588669    -13.25627875
  O     15.14988329     10.31266006     -9.12692968
  H     18.13678792      7.47508911     -9.11322554
  H     12.98499916      9.91808548    -12.25881778
  O     13.55861255      8.22138188    -11.96542981
  H     18.04972979      6.99517016    -10.56687986
  H     11.28451026      6.48916953    -13.00149281
  O     10.84504158      5.66064515    -11.40290384
  H     17.04608146      7.91933183     -7.20162205
  H     11.14611322      7.86057781    -13.72414031
  O     14.03349902      6.18798129    -14.87628985
  H     17.74624733      6.62927354     -6.71651867
  H      9.76889240     10.06907630    -13.86427762
  O     12.90005080     11.67571573     -9.90342399
  H     16.52022773     10.19377045    -10.32384678
  H     11.12045903     10.07268537    -13.11173634
  O     15.50416201      8.58763986    -15.38104863
  H     17.76644861      9.30023745    -10.59821268
  H     10.60841357      9.73560633     -7.99278804
  O     15.20181710      5.95983087     -9.09362356
  H     10.28872579      7.40945307    -10.90464972
  H     10.72358943      9.19345002     -9.43732635
  O     12.64981222     10.76801444    -12.58004297
  H     10.02611545      8.75266656    -11.62458874
  H     15.17001034      3.55828843    -13.59475293
  O     11.65688419      7.04121843    -13.70270874
  H     14.67937551      9.46754012     -9.13709042
  H     14.70115588      5.01919724    -13.78353886
  O     10.34795631      9.52507824    -13.33732976
  H     14.48202322     10.97002267     -9.36793240
  H     14.82833611     10.36903273    -14.86097163
  O     11.21494003      9.63508193     -8.72137822
  H     12.99868452      7.73474499    -12.58091139
  H     15.43809519     11.47497369    -13.97511420
  O     15.03994090      4.38104082    -13.13053535
  H     14.46580557      8.19089832    -12.29661173
  H     13.45084233      8.08482864    -10.22396075
  O     14.61925974     11.19310497    -14.40847170
  H     10.24161875      4.93248690    -11.27833631
  H     12.70800776      8.54293224     -8.93604742
  O     13.49146273      8.07872168     -9.25351977
  H     11.72728730      5.33417890    -11.15110035
  H     16.57108108      8.89893963    -12.21785023
  O     16.20982834      8.20169336    -12.78083339
  H     14.48324717      6.98817061    -15.17214636
  H     16.44480741      7.35661478    -12.37406825
          69
 Energy    -248.03196879196196     
  O     12.20707275     10.23636751    -11.54835999
  H     12.73629788     10.64470552    -12.24604073
  H      9.68045227     11.39737893     -8.47135333
  O     11.81841130      7.82885665    -14.58817436
  H     12.81126644      9.90691217    -10.87357673
  H     11.69964494      7.40640627     -9.26781349
  O     10.90552491     12.58689872    -11.16137449
  H     11.71317650      7.43267821    -15.44903501
  H     11.51058603      7.38032118    -10.78960708
  O     15.69891830      8.57436686    -11.69396114
  H     11.72205727      8.78982599    -14.70921773
  H     11.42557485      8.97982313     -7.58175385
  O     13.45998232     15.46184339     -9.10647682
  H     11.69119367     13.14757181    -11.20198981
  H     10.03275826      8.75050929     -8.18420865
  O      8.44456884      9.81061527    -11.42401891
  H     11.24638906     11.67867075    -11.22162837
  H     13.48981869      9.70535111     -8.76109794
  O     13.44453487     13.69592843    -11.27509665
  H     15.32360039      8.71468647    -10.81884886
  H     13.41185776      8.46117817     -9.69232525
  O     15.36547548     13.55247241     -8.08130476
  H     15.10460077      7.93983535    -12.12294955
  H     14.81453605     10.90639715     -9.93749752
  O     10.51688576      8.13724348    -12.14375043
  H     12.83345510     15.04977766     -8.48422134
  H     15.68360977     11.55221500    -11.04445864
  O     11.87036738     14.15807143     -7.33209945
  H     13.41898824     16.40233165     -8.95605977
  H     12.25042637     11.05953454    -14.47320038
  O     13.87326929     12.53960833     -6.05282080
  H      9.03549513      9.09062355    -11.68900753
  H     10.71742194     10.94257760    -14.33698638
  O     10.37110830     12.07215416     -8.48784461
  H      8.57735415     10.50099867    -12.08172505
  H      8.79105206     12.54556608    -13.66759341
  O     12.15810651      7.19328475    -10.09536632
  H     13.45359322     14.42891103    -10.64630659
  H      9.82592705     12.24973662    -12.55951530
  O     10.84273973      8.29306016     -7.92801846
  H     14.00376989     13.00924402    -10.88301157
  H      7.71881107      9.75849798     -8.35561447
  O     13.90984522      9.27594289     -9.52240738
  H     15.45094922     12.91899271     -8.80628372
  H      8.49283386      9.89157928     -9.68703890
  O     15.19256277     11.74267162    -10.23469652
  H     14.86287549     14.29575372     -8.43630120
  H     14.55219046     11.52682000    -13.33649575
  O     11.48631850     10.54191203    -14.75929966
  H     11.06954082      8.91306643    -11.94997254
  H     13.54315096     12.60750892    -12.87585010
  O      9.32588520     11.85041333    -13.29075139
  H     10.77675612      7.85825230    -13.02954623
  H     17.09483503     11.00983566    -13.14823283
  O      8.58443286      9.92841444     -8.71840105
  H     11.22463775     13.51688554     -7.65689345
  H     16.09848447     10.04892899    -12.44846034
  O     13.63142949     11.81058025    -13.41435355
  H     12.46482598     13.66418136     -6.75400381
  H     13.21280804      6.78225939    -11.77994468
  O     16.22996601     10.96766266    -12.75053948
  H     14.48646904     12.88533898     -6.72620827
  H     13.10713834      7.18786520    -13.27018720
  O     13.72523940      6.89958306    -12.58810568
  H     14.32362252     12.59083759     -5.21433326
  H     11.81229971     11.09844472     -7.89669162
  O     12.54083517     10.57063507     -7.53974954
  H     10.47583715     12.33497585     -9.41281606
  H     13.02323185     11.14406037     -6.93238535
          69
 Energy    -248.03183935214341     
  O     -8.22452943     -1.45004738      6.36013943
  H     -7.49075777     -0.90815184      6.66733671
  H     -3.00949880      1.90043032      2.47582920
  O     -9.28369276     -3.09028779      2.32443211
  H     -8.97138454     -0.85528843      6.19847354
  H     -6.94844775     -0.61940979      3.43607273
  O     -7.81384580     -3.56420991      4.74310241
  H     -8.84308989     -3.34082712      3.14471094
  H     -7.45677824      0.72657392      4.04979217
  O     -4.98404372      0.27657656      0.56288619
  H     -9.80081895     -2.30158933      2.53720175
  H     -5.27584590      0.00582432      6.37970027
  O     -7.20383344      2.05082817      5.38207072
  H     -7.88549359     -4.36632999      5.25293904
  H     -5.52585047      0.20762733      7.89509480
  O    -10.51034360      1.33222966      0.80632284
  H     -8.00382444     -2.82678693      5.35267676
  H     -1.31283055      3.68337711      1.53986650
  O    -10.33563373      0.23183407      5.64053115
  H     -4.87625619     -0.68262468      0.57967384
  H     -2.57425586      4.13111146      2.31562907
  O     -4.23894365     -0.36511727      5.06037485
  H     -5.93453462      0.43298326      0.48585594
  H     -9.67077798      3.32936878      3.23316069
  O     -4.50795797      3.06842258     -0.01266698
  H     -6.52517073      2.52120048      4.87664847
  H     -8.72669938      3.63635682      2.03222977
  O    -10.26668607     -0.53864425      2.95060569
  H     -6.76959078      1.50362934      6.04857745
  H     -5.54240404     -2.33175058      2.65636717
  O     -5.11439713     -2.54172005      0.84651364
  H    -11.21941553      1.57079015      0.21601572
  H     -6.42451209     -2.71003603      3.90112459
  O     -3.64322539      1.26510688      2.83172589
  H    -10.28942203      2.12763291      1.32544119
  H     -8.28430817     -2.59158078      0.93042083
  O     -7.55779449      0.11955040      3.30865901
  H    -10.25942298      1.18524303      5.52976737
  H     -7.87418370     -1.27030590      0.23576090
  O     -5.95470940      0.22612560      7.04421228
  H    -10.53345204     -0.10565250      4.75601530
  H     -9.90466428      3.68860697      5.74974266
  O     -2.22030015      3.45065259      1.71735124
  H     -4.70472227     -1.06480420      4.57952631
  H     -8.80160001      2.71711889      5.26497111
  O     -9.63500043      3.41827864      2.27208516
  H     -3.88917601      0.21987918      4.37762984
  H     -4.23907553      4.57268203      3.61740381
  O     -5.80726527     -2.05823363      3.54269440
  H     -3.69689151      3.28651900      0.46112874
  H     -3.79348217      6.04606733      3.59018910
  O     -7.69896625     -2.21551893      0.25389768
  H     -4.55054458      2.10358644     -0.01538252
  H     -4.83972243      2.49406468      3.43149135
  O     -9.70764187      3.02775498      5.09006868
  H    -10.51093053      0.04354031      2.22224515
  H     -6.01925254      3.32166089      2.85855802
  O     -3.48443761      5.15657578      3.43880716
  H     -9.33708932     -0.34567074      3.14971055
  H     -7.68781769      0.49196832      1.62599215
  O     -5.45365050      3.21416637      3.63705874
  H     -4.70714225     -3.26932605      0.38534210
  H     -8.73001842      0.88191107      0.53985296
  O     -7.79224379      0.69652242      0.67981493
  H     -6.04871906     -2.51130136      0.56487378
  H     -6.11292778      3.45161414      0.77552793
  O     -6.92513367      3.35482161      1.29613144
  H     -4.10417075      0.87681381      2.07447125
  H     -7.28232856      2.49407763      1.04335652
          69
 Energy    -248.03177377810135     
  O     16.33091736      9.90817964    -15.06450669
  H     16.49879050     10.83897644    -15.25501686
  H     13.08991168     11.03703356    -12.78842530
  O     14.78170895      6.58511101     -9.39344536
  H     15.49508687      9.65753918    -15.48412849
  H     12.70128068     11.08804028     -9.02632837
  O     16.90412560     12.61502192    -15.38366242
  H     15.12875982      7.45253484     -9.11283305
  H     13.34136704     10.87392112    -10.41783131
  O     12.49735075      7.89375194    -10.50938259
  H     14.85378118      6.00199396     -8.64341382
  H     15.61424207      7.76742084    -12.13048995
  O     13.94222541      8.96723798    -16.02180429
  H     17.76340824     12.52613580    -14.93103332
  H     15.37145972      6.60104933    -11.12916361
  O     18.21326115      7.90778280    -15.18857360
  H     17.03618069     13.19761304    -16.12612952
  H     16.87634508      6.75859476    -16.08630493
  O     20.24004129      9.57469587    -14.27749469
  H     13.17867688      7.34225207    -10.10742880
  H     15.44893660      6.29075575    -15.70468760
  O     18.19444725      6.30499510    -12.86551847
  H     12.64144494      8.78074402    -10.15797663
  H     18.37503513     13.14844338    -10.63273779
  O     11.70809554      7.46726122    -13.07026884
  H     13.98502460      8.18849014    -15.44752112
  H     17.90116324     11.72122916    -10.98949333
  O     15.61609857     13.04739716    -12.85553231
  H     14.10140239      8.64991489    -16.92194292
  H     15.27749614      7.15167061    -17.76789229
  O     12.28220185     10.10871227    -14.06168873
  H     18.16794454      7.37264724    -14.38404119
  H     14.50513574      7.19420171    -19.09715852
  O     13.61965027     11.36314060    -12.04497269
  H     17.53583334      8.60176788    -15.14081503
  H     15.93085121      9.66233947    -13.34653153
  O     13.23084494     10.47917796     -9.53437171
  H     21.06171767      9.44355817    -14.74532989
  H     14.89469297     10.07384846    -12.26792020
  O     15.66821229      6.80337198    -12.02421639
  H     19.58594897      8.99420996    -14.69927988
  H     18.88275196     12.32204989    -13.02228965
  O     16.10432739      6.28317861    -16.41415147
  H     17.29049507      6.41158822    -12.52381402
  H     19.54490788     11.31916908    -14.00981968
  O     18.04075103     12.61362621    -11.34835910
  H     18.35926877      5.36746550    -12.92792930
  H     16.89183646      9.86392902    -11.23686759
  O     14.74115106      7.72519807    -18.34136358
  H     10.83043446      7.09453072    -13.04997344
  H     18.34677033      9.50321286    -10.84050399
  O     15.64282203      9.48918974    -12.43992960
  H     11.97414949      7.60543966    -12.14374810
  H     14.67229959      6.63864255    -13.55881958
  O     19.13891126     12.19185703    -13.94433539
  H     16.40168778     12.98168421    -12.29917882
  H     13.22015915      6.85158120    -13.99672363
  O     17.58161792     10.03527955    -10.57701402
  H     15.93662949     12.99174309    -13.76344363
  H     19.91902912      8.92977808    -12.48827557
  O     14.11044451      6.70262932    -14.34276518
  H     11.97169953      9.26245316    -13.71747943
  H     19.18432579      7.68120630    -11.98395375
  O     19.57580485      8.51279283    -11.68877948
  H     12.79018659      9.88528203    -14.85267899
  H     14.84936706      9.65011442     -8.98361702
  O     15.60638091      9.08067012     -8.79429535
  H     14.23559636     12.04297635    -12.35620529
  H     16.36045196      9.44580579     -9.27488084
          69
 Energy    -248.03170328264181     
  O     -6.74654675     -4.11747397      5.05190471
  H     -6.04870406     -3.47492133      5.27796221
  H     -7.35291872     -0.33918064      4.49266506
  O     -7.73836666     -2.96133389      2.61775414
  H     -6.36720549     -4.98349268      5.17598898
  H     -4.91218429     -1.48466733      6.18504377
  O     -5.90958747      1.61228968      0.39996851
  H     -7.47702252     -3.51488336      3.36166562
  H     -4.54802252     -1.94548334      4.76749644
  O     -5.15467002      0.31223788      6.90263268
  H     -7.62238664     -2.05098525      2.93295409
  H     -2.96431481      4.22663840      2.82761387
  O     -6.26624623      5.55152470      2.77343740
  H     -6.01624577      0.82251758     -0.14334333
  H     -1.68478566      4.19046947      1.95548137
  O    -10.60005063      0.42754732      1.32502410
  H     -6.72089753      1.67542497      0.92671992
  H     -8.87562794      2.55582168      5.04709914
  O     -8.70555039     -2.75323114      6.52186551
  H     -5.08037461      0.98316476      6.20226291
  H     -8.96697021      1.22355155      5.81676443
  O     -4.39365279     -1.14879539      3.17963468
  H     -4.71261970      0.66784129      7.66938908
  H    -10.73894513      1.19679997      4.43475362
  O     -5.08377567      4.30752239      0.66247191
  H     -5.90273473      5.13804695      1.96983340
  H    -12.17795572      0.65855027      4.43808895
  O     -6.56295430     -0.81416794     -0.88258553
  H     -6.57545693      6.41762225      2.52224639
  H     -5.65983594     -2.00421727      0.33391264
  O     -3.96276210      1.44703902      2.38634557
  H    -11.29383673      0.77396580      0.76961966
  H     -6.16946341     -2.86207229      1.50644403
  O     -7.10790994     -0.44004375      3.56345029
  H    -10.92037412      0.49138226      2.24238473
  H     -9.49098362     -0.99887608      0.71552186
  O     -4.85877400     -2.26784286      5.62770097
  H     -9.56790057     -3.08258346      6.27730207
  H     -8.61304641     -2.21314036      1.11031592
  O     -2.57894967      3.86534009      2.00911560
  H     -8.06664923     -3.29939299      6.03992838
  H     -6.96988285     -0.03034651      6.63761425
  O     -9.50267931      1.92976991      5.42857118
  H     -4.06083657     -0.29283783      2.88241636
  H     -8.15175833     -1.04446608      6.44289730
  O    -11.40478062      0.74548002      3.88755859
  H     -4.60417245     -1.67716292      2.39459105
  H     -4.72230735      5.12591539      3.83447850
  O     -5.36505991     -2.56763988      1.05909461
  H     -4.16904351      4.20167740      0.95214771
  H     -4.26204406      3.89409398      4.63257868
  O     -8.83560507     -1.62162833      0.37948611
  H     -5.38896698      3.42494839      0.41432938
  H     -4.71476669      1.86967871      4.03072074
  O     -7.84099100     -0.15027839      6.24087618
  H     -7.40890222     -1.07364386     -0.47456108
  H     -5.97825918      2.52654227      4.65155756
  O     -3.94106043      4.70269913      4.21378520
  H     -6.61385293     -1.06938371     -1.80026830
  H     -8.98869363      1.27985552      1.69776948
  O     -5.10722930      2.16139334      4.86509552
  H     -4.62072872      1.47138293      1.67625392
  H     -7.77792214      0.81236559      2.54928936
  O     -8.11962655      1.54846523      2.01431756
  H     -3.35302513      2.17671425      2.22675894
  H     -7.76622014      2.78065199      3.26609069
  O     -7.49094318      3.33821682      4.01000832
  H     -6.16267434     -0.63377534      3.51253607
  H     -7.17437628      4.16814375      3.63374856
          69
 Energy    -248.03167478192512     
  O     13.95955274     13.19198939     -8.46377644
  H     13.84269089     12.24533531     -8.66584238
  H     12.51563815     13.04815097    -14.19332543
  O     14.23445930     12.49948426    -17.49650403
  H     13.65968688     13.32399722     -7.56860379
  H     12.17723548     13.58387515    -11.90865354
  O     17.52346183      9.18891355    -11.40158178
  H     13.72946963     12.97260352    -16.82306996
  H     10.74592155     13.17008861    -12.32470393
  O     15.31058841     16.18492084    -11.62612559
  H     14.25951235     11.59706273    -17.15197800
  H     18.67778674     14.10241499    -13.97427995
  O     14.35551240     10.55409698    -15.44947338
  H     17.89076122      9.84219000    -12.00915536
  H     20.08092181     14.13480140    -13.31903819
  O     16.07642025      7.65046091    -13.15856567
  H     17.01288189      8.57519334    -11.95023080
  H     14.78120095     10.27496575     -9.12157683
  O     17.48287619      7.97617429    -15.57714442
  H     16.16599052     15.78776538    -11.37968986
  H     13.61320735     10.53344686    -10.10450218
  O     15.72264714     12.13877264    -12.16126902
  H     15.41530631     17.12982480    -11.55783486
  H     15.96699964     12.85705879    -17.61806019
  O     17.07587309     10.74295462    -15.76894276
  H     13.91584077     11.36646307    -15.16047880
  H     17.22950020     13.03366086    -18.48958148
  O     17.60449975     14.45632684    -15.27673944
  H     13.99468454      9.82807938    -14.92838351
  H     17.10125022      9.53846504     -8.36286807
  O     13.33529353     10.79135456    -11.94182458
  H     15.16618094      7.90816622    -13.33786924
  H     16.97616106      9.70895627     -9.89419122
  O     13.15594556     13.07382511    -14.91285247
  H     16.53826700      7.67032883    -14.00828364
  H     17.39531189     14.19013953    -10.42819030
  O     11.66731995     12.98801960    -12.48797409
  H     18.39443518      7.74460582    -15.74174109
  H     18.17982474     14.55284408    -11.71619282
  O     19.18488114     13.83723061    -13.18496408
  H     17.42003495      8.93000774    -15.73518046
  H     17.83959033     11.06619695    -14.14789705
  O     13.86877614     10.58857850     -9.17446291
  H     16.51015866     11.72682234    -12.54152119
  H     18.57815875     12.07425636    -13.20850493
  O     16.93684741     12.92843469    -17.58803934
  H     15.95672368     12.41517243    -11.26607598
  H     13.83990537     15.13715720    -11.05421108
  O     16.66647190     10.05451251     -9.03571557
  H     16.12292332     10.64751722    -15.61020288
  H     13.38285629     14.12145139     -9.97977611
  O     17.62144591     14.92011562    -11.02099293
  H     17.17497447     11.44270780    -16.42331702
  H     12.64530326      8.07674129    -13.51264776
  O     18.11207997     11.22962436    -13.23392488
  H     16.75412714     14.48687376    -14.81485546
  H     13.33587601      9.34592788    -12.95609730
  O     13.13127188     14.52664869    -10.81911536
  H     17.43852843     14.00360024    -16.11084245
  H     16.70832636     11.88229877     -9.31199150
  O     13.40627862      8.64093295    -13.62255641
  H     14.19815166     11.21915555    -12.05979246
  H     15.71783085     13.05465142     -9.10057976
  O     16.53634943     12.80413377     -9.54827287
  H     12.66810638     11.46818808    -12.10992392
  H     15.44368155     13.57741699    -13.20059087
  O     15.28197158     14.36021078    -13.75003838
  H     13.89109817     13.61279973    -14.58361913
  H     15.22835575     15.10746754    -13.14285225
          69
 Energy    -248.03153202653897     
  O     12.34966596     12.50433361    -11.21011306
  H     11.81954563     11.71233506    -11.35602783
  H     12.25148325      9.48815263    -15.37097464
  O     20.16332619      7.56567651    -10.54026316
  H     12.86863707     12.32969966    -10.41434794
  H     15.95434436     10.32048276    -12.31408175
  O     17.53761348     10.20617213    -11.45928759
  H     19.22168270      7.42659882    -10.73731812
  H     14.79122719     11.19908011    -12.89038207
  O     11.61820321      8.66818444    -13.97298644
  H     20.20993594      7.77807007     -9.61176066
  H     13.72035901     11.44761235    -15.98940373
  O     13.63699762      6.62790826    -13.64091133
  H     18.20395467     10.40079477    -12.13125143
  H     14.21796434     12.50437586    -14.97359900
  O     14.20233634     12.89036099    -13.19519483
  H     17.53766096      9.24638880    -11.34093371
  H     14.43432652      6.71230604    -11.90936078
  O     17.56617606      9.45677971    -15.49404239
  H     11.40000289      9.09989150    -13.13824144
  H     14.45379177      7.67141815    -10.70915555
  O     17.56995773      7.43077113    -11.42426651
  H     12.17428562      7.90979155    -13.75677650
  H     20.80301468      8.10040770    -12.09387198
  O     16.95270857     12.00919562    -16.52897678
  H     14.20016465      7.25858126    -14.12056834
  H     21.92123985      8.11182055    -13.16140407
  O     18.55708131      7.22189273    -14.00679273
  H     13.69290676      5.79982805    -14.11252333
  H     17.10686228     13.80140853    -12.92096740
  O     18.07850735     13.00846546    -14.10381490
  H     14.91978953     13.43977235    -12.85610554
  H     16.72438971     15.13475433    -12.23571800
  O     12.72519221      9.84497342    -16.14381342
  H     13.49626783     12.86694710    -12.53232960
  H     16.48801373     13.05985177    -10.76669442
  O     15.07124174     10.29259522    -12.70740573
  H     17.43891712     10.29442436    -15.95785210
  H     16.90361009     11.60663483    -10.45668643
  O     14.34637777     12.17123948    -15.87309271
  H     16.67437685      9.11882419    -15.32816007
  H     14.03610012     12.00771771     -8.10390331
  O     14.89727678      6.89944178    -11.08389910
  H     16.65535891      7.15673322    -11.27145143
  H     14.92190917     11.99364213     -9.37160329
  O     21.01979442      8.37785872    -13.00107937
  H     17.79192879      7.26854616    -12.35352532
  H     18.72452590     10.13985276    -14.23670867
  O     16.50869854     14.20661776    -12.26677737
  H     16.00186940     12.07437093    -16.32449693
  H     20.00721099      9.90893133    -13.39613415
  O     16.43243033     12.36988467    -10.09468985
  H     17.07817618     12.41098506    -17.38436410
  H     10.49096549      9.54966441    -10.83574891
  O     14.04987152     11.73849533     -9.01791407
  H     18.24430799      7.86970623    -14.64997309
  H     12.02329351      9.59373514    -11.04184991
  O     19.30777837     10.54773144    -13.57863378
  H     19.45904813      7.48951535    -13.79101708
  H     14.15472431      9.66084520    -11.29803671
  O     11.17106791      9.85156357    -11.43343022
  H     17.69592130     12.76941767    -14.95677892
  H     13.83844693     10.08659711     -9.84493674
  O     13.69836915      9.38047239    -10.48850671
  H     18.65262081     12.26993122    -13.86272341
  H     14.99995228      9.25176735    -14.10607652
  O     14.96971805      8.68560450    -14.89611542
  H     12.18215704      9.65928797    -16.90521462
  H     14.28441108      9.05161260    -15.46926954
          69
 Energy    -248.03151022327521     
  O     14.41359646      3.28946826    -10.14582616
  H     14.24070267      2.34018695    -10.14202467
  H     16.47465770      5.27783460    -14.90094458
  O     13.20104112      4.22590734    -12.46239123
  H     13.92321422      3.65629094    -10.89753821
  H     13.46758341      9.22493624     -9.90061911
  O     16.80339686      3.35314133    -11.58297706
  H     13.94256947      4.39522004    -13.05596972
  H     13.20137336     10.55491737     -9.15653821
  O     18.51148798      7.38521988    -13.31020474
  H     12.62685275      5.00110880    -12.44679618
  H     14.57037535      7.45169341    -11.40085170
  O     12.29736467      8.34230460    -13.90256036
  H     17.23568968      4.19684059    -11.39301219
  H     15.85919817      8.15712947    -11.93680481
  O     12.76434558      1.50548346    -13.00701843
  H     16.02899382      3.31594634    -11.00281019
  H     13.52197700      6.86760725     -9.62696340
  O     14.10683804      0.52477552    -10.66772809
  H     18.05215562      6.94687202    -14.03537236
  H     12.48770601      7.12582689    -10.78970219
  O     17.15058904      9.49681937    -12.16150888
  H     18.39044225      6.81178496    -12.54055120
  H     14.04017171      1.38833564    -14.19749695
  O     16.49344713      9.39244668     -9.46800727
  H     12.49246840      9.16914506    -13.43554741
  H     14.65315664      0.90280209    -15.53307663
  O     15.58723552     10.54791535    -14.25311050
  H     13.09694743      8.13222539    -14.39882311
  H     11.73745973      7.11895320    -12.86145614
  O     14.97534527      7.88679976    -14.70850786
  H     13.05422011      1.08957547    -12.18558957
  H     10.54523404      6.34626291    -12.24205126
  O     16.94166060      5.99895035    -15.35649555
  H     12.74505663      2.45639721    -12.82871680
  H     16.69306117      6.32223999    -11.46391514
  O     13.76461799     10.14803543     -9.81057195
  H     14.08528261     -0.28295700    -10.16204713
  H     17.53102850      6.21815833    -10.17708909
  O     15.30150208      7.36970157    -12.02424216
  H     14.90961427      0.49177511    -11.21862219
  H     15.36448966      3.16186132    -14.39598573
  O     13.14319625      7.53944302    -10.21703303
  H     17.73676690      8.85961085    -12.59831439
  H     16.08241904      3.80621141    -13.18401189
  O     14.84145523      1.41492035    -14.75158826
  H     16.72469760     10.01535937    -12.85421730
  H     15.91637562      0.83281871    -13.22217465
  O     11.49484893      6.42707239    -12.21836108
  H     15.59293377      9.73656328     -9.50095275
  H     16.65520786      1.55278105    -12.07741080
  O     17.50978323      5.94450204    -11.10241818
  H     16.86829053      9.55252338    -10.34550239
  H     15.37240905      6.02930326     -8.58939638
  O     15.61370903      4.01056268    -14.00691570
  H     15.37539586      9.64176308    -14.53470571
  H     14.51021273      4.83105474     -9.08401787
  O     16.26360659      0.70495363    -12.33140496
  H     15.70694189     11.06365499    -15.04646308
  H     16.87043412      7.83022730     -8.80848097
  O     14.46647070      5.72360535     -8.71742452
  H     15.01158378      7.65835620    -13.76497451
  H     17.60064889      7.00517157     -7.72314906
  O     17.07744289      6.92379458     -8.51594575
  H     15.61198407      7.30210876    -15.13438315
  H     14.04562318     10.75209030    -13.08473285
  O     13.22464497     10.60542937    -12.60032157
  H     17.37698617      5.60972428    -16.11078695
  H     13.46021220     10.55478396    -11.66660075
          69
 Energy    -248.03147548992547     
  O     17.01029789      9.72448011    -11.25841894
  H     16.75090080      9.48394567    -10.35320892
  H     13.72994809     10.59596222     -9.01659808
  O     15.25712378      6.46721202     -8.65137040
  H     16.27730071      9.45117657    -11.82516580
  H     14.39598604      8.55165406     -5.93226864
  O     17.82928496     12.22773957    -10.56724001
  H     15.52890293      7.39558355     -8.72426802
  H     13.26597090      9.27757773     -5.16735406
  O     12.63068977      7.08986510     -7.82235405
  H     15.97991811      5.94100043     -9.02899369
  H     17.83604792      4.68228060    -12.81624685
  O     14.82093485      8.73581110    -12.59038874
  H     17.86346113     12.82362006    -11.31114111
  H     17.86876465      3.14041754    -12.68278516
  O     18.80024750      7.60808398    -10.94769965
  H     17.53931132     11.36540291    -10.91073577
  H     17.74889359      6.69811877    -13.82977024
  O     20.19945107      8.57108785     -8.66963440
  H     13.49327692      6.71785072     -8.05166308
  H     18.69276572      6.73890882    -12.59897830
  O     17.32289081      5.36683779     -9.97361758
  H     12.81026339      7.77865888     -7.17187255
  H     18.47430109     12.24896718     -5.66246292
  O     11.51692241      7.61587823    -10.21741408
  H     14.52634727      7.96613278    -12.08159286
  H     17.62165104     11.99293654     -6.93022486
  O     16.43790310     12.51453025     -8.06437849
  H     15.20139747      8.37612795    -13.40183563
  H     15.63136341      6.44984699    -14.27037914
  O     13.10997666      9.96505961    -10.56928301
  H     19.35228821      7.87279646    -10.20255631
  H     15.93407440      7.20638483    -15.58608688
  O     14.20349338     10.84081704     -8.20553554
  H     18.22606259      8.36203733    -11.14166941
  H     15.53697848      9.69589300     -8.55526668
  O     13.59724545      9.09711069     -6.04348153
  H     21.11471505      8.36574191     -8.49526429
  H     16.86847218      9.03194171     -8.06605732
  O     17.37526469      3.91547800    -12.42906685
  H     20.14275824      9.53789261     -8.77896543
  H     19.45838452     11.48373234     -7.94143271
  O     18.45794109      6.22173277    -13.38162050
  H     17.30076327      4.75375041    -10.71729886
  H     19.25168155     11.63572887     -9.45901603
  O     18.35264979     11.64290871     -6.38773206
  H     17.84464404      6.12323495    -10.27258956
  H     15.69059390      6.87785628     -6.69362319
  O     16.05091716      7.24884504    -14.64060235
  H     11.81597912      7.42494623     -9.30926006
  H     16.66436260      7.88279840     -6.05487522
  O     16.21787080      9.04707678     -8.77894696
  H     10.59006219      7.39845243    -10.25824196
  H     13.01157458      6.77686874    -10.94836357
  O     19.83914755     11.25004856     -8.79740475
  H     16.81127841     12.50214774     -8.95399973
  H     14.39168297      6.40017841    -10.35229919
  O     15.79860890      7.46816811     -5.93938437
  H     15.58638608     12.05877472     -8.11019302
  H     18.22536768      9.80589020     -6.50468359
  O     13.90407344      6.48894258    -11.17978532
  H     12.47358633      9.24381558    -10.48567549
  H     18.86245467      8.63594054     -7.30794729
  O     18.11690825      8.87439348     -6.74265536
  H     13.65100453      9.74769381    -11.33661066
  H     14.52258526      5.46624816    -12.60740914
  O     14.97473778      5.10242227    -13.38083043
  H     13.85377200     10.32486801     -7.46863798
  H     15.70243404      4.56580451    -13.04170215
          69
 Energy    -248.03143124486087     
  O     16.09753903     12.15425959    -11.07369154
  H     15.93342575     11.95150167    -12.00609249
  H     15.66041627      9.43231905     -8.29717235
  O     13.22045792     12.40946912    -13.27718207
  H     16.94663371     11.73956974    -10.87737070
  H     17.82513279      7.31818940    -13.91831258
  O     12.89201361      8.70862266     -9.81862352
  H     13.36938318     13.01643342    -12.54182938
  H     18.93996080      7.54021232    -12.86586203
  O     14.05318445      6.67818198     -8.22613128
  H     14.09439671     12.18527076    -13.61946860
  H     18.91016593      9.34792356     -9.60477280
  O     10.91198212     10.74035058    -10.21154086
  H     13.50495925      9.43695246     -9.64343543
  H     18.10644094      8.50077528     -8.60316392
  O     11.20204092     10.60175394    -13.09929300
  H     13.15515461      7.99089990     -9.23162840
  H     11.90638117     12.03193473     -9.34596625
  O     14.01983491     13.98258223    -11.02469714
  H     14.20228322      6.09123034     -8.98940174
  H     12.93581756     13.15453581     -9.61513150
  O     18.59845855     10.60008059    -13.87759337
  H     13.67391143      6.14194471     -7.53493857
  H     11.88073723      8.92002878    -12.76572722
  O     15.85935789     11.44928622    -13.76943588
  H     11.42437660      9.95808550     -9.97033322
  H     12.56154560      8.29053062    -11.51973067
  O     16.33538189      8.38289988    -10.96119477
  H     10.90889011     10.75365609    -11.17525516
  H     19.35401523      7.40905559    -10.38819339
  O     17.02790482      5.67076526    -11.43030519
  H     11.92180649     11.25228776    -13.18248022
  H     20.41793981      6.48847755    -11.02506432
  O     16.15323945      8.60246667     -8.20469853
  H     10.50284920     10.89475547    -13.67793206
  H     15.71315476      7.40947392    -13.80635474
  O     18.57121910      7.88280063    -13.68977358
  H     14.82174726     13.43920422    -10.94983741
  H     15.18112210      5.98791761    -13.77915158
  O     18.94650144      8.53801316     -9.07695503
  H     14.30228551     14.89276599    -10.97253759
  H     12.68409772      5.08297499    -13.44145646
  O     12.60577828     12.55976987     -8.93207324
  H     18.58616140      9.62632765    -13.88920249
  H     12.95017240      6.49840993    -12.88812963
  O     12.39256262      8.15748345    -12.46597240
  H     19.32705618     10.86933194    -14.43113823
  H     15.43108963      5.21032231    -10.66385715
  O     19.54124539      6.84093019    -11.15555582
  H     16.79666299     11.30916968    -13.94552591
  H     14.01892731      5.25914470    -11.26288805
  O     15.99831969      6.48725624    -13.89692789
  H     15.48177393     10.56007952    -13.66550830
  H     17.64024288      9.68848651    -11.07920647
  O     13.35916832      5.63136346    -13.04824274
  H     16.19966001      8.47964741    -10.00997624
  H     18.53833387     10.57214894    -11.96969258
  O     14.49310392      5.17732629    -10.42809799
  H     16.56004467      7.45638149    -11.10801278
  H     15.40907774      8.82975535    -12.36521427
  O     18.27363865     10.42339059    -11.05403114
  H     17.96035479      5.89789788    -11.32486236
  H     14.01851600      8.75399060    -13.04594451
  O     14.94606847      8.96321149    -13.20841707
  H     16.78187363      5.83262673    -12.35284546
  H     15.15397288     11.18158300     -9.78588729
  O     14.64825898     10.76010559     -9.08086776
  H     15.49868325      7.90712054     -8.05804036
  H     13.94076428     11.38135459     -8.84995076
          69
 Energy    -248.03117758930355     
  O     15.30575521     10.17142081     -8.97178556
  H     14.95681380     10.53273308     -9.79871056
  H     13.36142931      7.95491417     -9.88630839
  O     12.70203461      8.78101995    -15.89650009
  H     16.24619212     10.03911957     -9.13554663
  H     17.70603669      6.02107019    -16.22731613
  O     15.40207257      5.66070173     -8.72489391
  H     13.24367341      7.98052138    -15.90047352
  H     16.97356251      4.67013506    -16.29076823
  O     18.03325318      9.66800479     -9.82438007
  H     13.30619808      9.51714436    -16.05004761
  H     13.45915903     11.55834382    -14.52065999
  O     17.04153533      7.41116852    -13.25341604
  H     14.80357973      6.42421363     -8.82655390
  H     12.29761596     11.02592680    -13.66364759
  O     14.56372211     10.73930121    -11.62192026
  H     15.23540353      5.29471849     -7.86087097
  H     10.29469186      9.36457272    -13.90268594
  O     18.26754089      5.41135294    -11.83209387
  H     18.76138809      9.96340035     -9.28405512
  H     11.69554111      9.12590669    -14.51705744
  O     16.95360343      7.76392146    -16.01920123
  H     17.97584810      8.70216111     -9.70847365
  H     14.52222586     11.61262724    -16.84424911
  O     15.19650249      3.96646420    -16.14005467
  H     17.14290868      7.43639714    -14.21252846
  H     15.37009898     10.90309472    -15.76720855
  O     14.44320880      6.61661858    -15.62456759
  H     16.12697483      7.14618422    -13.07384977
  H     12.23575808      8.73224755    -12.28564271
  O     15.96551165      3.10265955    -13.68712593
  H     15.43924253     10.54568320    -11.97844584
  H     13.52195327      9.25515779    -11.60545021
  O     13.85033469      7.80801362     -9.06867158
  H     14.05859824     11.20631280    -12.30275772
  H     16.56229188      4.80496757    -11.44236221
  O     17.84225422      5.06901609    -16.15088629
  H     17.93488803      6.16831760    -12.34017898
  H     15.45168424      4.83130441    -10.37460556
  O     13.00470877     11.68365799    -13.67962219
  H     18.59036630      4.77791548    -12.48377160
  H     18.14334786      6.39774948    -10.23274945
  O     11.22748160      9.41215607    -13.71199109
  H     16.96754232      8.71659204    -15.88108122
  H     17.03401524      6.56307410     -9.17642274
  O     14.46468420     11.03605540    -16.08502252
  H     16.02887734      7.47186778    -15.97757757
  H     18.52439141      4.21031351    -14.77859546
  O     12.93648341      8.48545598    -11.67030632
  H     14.81514460      3.24493972    -16.63279945
  H     19.47780749      3.10679050    -14.26350575
  O     15.63058268      4.58765655    -11.29193032
  H     15.38504290      3.62764266    -15.24598725
  H     14.71477176      5.83323149    -12.28547413
  O     17.82872949      6.98030189     -9.52986350
  H     14.37274502      6.58094867    -14.65771181
  H     13.90050227      7.17803612    -12.40440757
  O     18.76826576      3.68474894    -13.99581767
  H     14.59190582      5.70853072    -15.91517166
  H     17.13740621      9.07140819    -12.69294355
  O     14.46394380      6.55215476    -12.87994275
  H     15.70618702      3.47309345    -12.83442727
  H     17.54030886     10.05064342    -11.57415566
  O     17.16848307     10.01406911    -12.46481878
  H     16.92851858      3.16376133    -13.72120518
  H     17.84721567     11.03183188    -15.41576104
  O     17.06205002     10.55176355    -15.16090008
  H     14.34111637      8.62709991     -8.90422120
  H     17.11053646     10.44569641    -14.19591486
          69
 Energy    -248.03103765201584     
  O     15.43423268      8.38070940     -9.82227614
  H     15.11430095      7.47027673     -9.80658159
  H     13.38230457      7.75625423    -15.81805747
  O     15.03636322      5.07830015    -15.67929387
  H     14.80802400      8.83821687    -10.40346634
  H     17.50606454     10.90559645    -14.40078747
  O     17.13047885     10.69335962    -10.37897983
  H     15.10550266      6.00475952    -15.93627184
  H     16.79663272     12.09328403    -13.72135710
  O     18.16009378      9.23924729    -13.89553237
  H     15.89978801      4.85816909    -15.30911059
  H     15.96535235      7.21234855    -12.81295977
  O     10.90497834     11.18782033    -13.84512799
  H     16.50254838     10.03156600    -10.06862132
  H     15.08188525      8.49633669    -12.68792176
  O     16.62686061      5.65804009    -12.04078304
  H     16.63996104     11.34171333    -10.89933133
  H     13.66359240      5.81500424    -10.96087089
  O     11.55645223      8.50744580    -13.09376688
  H     17.31868010      8.85685536    -13.60636928
  H     14.10321425      5.09919151     -9.66376423
  O     15.88622639     12.64546026    -12.04497344
  H     18.70121627      9.34285631    -13.10337377
  H     18.25565722      4.23670902    -14.40181507
  O     14.69692564     10.77331277    -15.72104377
  H     11.18155711     10.94942159    -14.74962800
  H     17.28186406      5.12697089    -13.59815052
  O     12.49273779      4.91182091    -14.80542363
  H     10.09994062     11.69189379    -13.92503764
  H     11.96767528      6.81025529    -12.34059170
  O     15.22071290      7.96386106    -15.91371436
  H     15.85546452      5.49597206    -11.48466858
  H     12.45633271      5.51902237    -13.01465196
  O     12.44416835      7.63513493    -15.61583677
  H     17.25904875      6.15333097    -11.49353452
  H     20.17180936     10.04090677    -11.05723431
  O     16.99643061     11.70795799    -14.58096376
  H     11.87006461      8.22670792    -13.96633875
  H     18.62360792     10.07211538    -11.00525245
  O     15.70876965      8.03124510    -13.25384241
  H     11.17025632      9.38206630    -13.21953455
  H     18.17343400      8.05467249    -15.38571377
  O     14.39585623      5.72039202    -10.32582811
  H     15.03664498     12.43826324    -12.46721027
  H     17.90830564      6.54905863    -15.56987583
  O     17.58992073      4.91358566    -14.49528916
  H     15.86214974     13.57494395    -11.82787163
  H     17.22840651      7.74169321    -10.13110337
  O     12.42447591      5.97854557    -12.16623857
  H     15.53518800     11.18890357    -15.46390703
  H     18.62324796      7.99704529    -10.73739252
  O     19.39030844      9.61131753    -11.39362549
  H     14.90297560      9.84750461    -15.89466076
  H     11.94757513      9.40526570    -16.18783188
  O     17.88610586      7.39513246    -16.03263698
  H     13.42131273      4.86510832    -15.09680372
  H     12.85367246     10.64813008    -16.22598302
  O     18.03284588      7.29835853    -10.43257379
  H     12.04949571      4.15138080    -15.17219230
  H     12.67020561     11.70906460    -13.40621074
  O     11.92765262     10.37069966    -16.21276194
  H     15.29354653      7.96995200    -14.94354641
  H     13.99152951     11.40329569    -14.16113609
  O     13.63093209     11.74311288    -13.32793139
  H     16.12984561      7.83640734    -16.22354820
  H     13.83786237     10.30012063    -12.20626382
  O     13.81048053      9.43830692    -11.77300953
  H     12.32390308      6.69230099    -15.44756902
  H     13.01227857      9.01075751    -12.11092553
          69
 Energy    -248.03102262532161     
  O     -0.64290542      5.43938493      2.63710835
  H     -1.51746996      5.04424016      2.51845160
  H      0.30062701      1.69165015      2.15031669
  O     -3.34539263      6.18430038     -0.16563031
  H     -0.14533605      5.25859234      1.82038617
  H     -1.15944794      3.87070692     -2.27463239
  O      4.55620435      5.81718158     -0.65815042
  H     -3.21377006      5.57798763      0.57458120
  H     -0.23315097      2.71935137     -2.73916823
  O      2.59489066      7.11031273      0.70189249
  H     -3.99859384      5.74153449     -0.72948910
  H      0.90004556      7.86534785     -1.93692046
  O     -1.09074821      5.49667161     -1.64878460
  H      3.90849118      6.35730124     -0.17145069
  H      0.11628979      6.65760859     -2.45530998
  O      1.94769855      2.48552471     -0.16472209
  H      5.31234230      6.37527578     -0.82120499
  H      3.62954082      3.85692806      2.72298775
  O      0.77036575      4.98828422      0.33055694
  H      2.02479304      7.81895437      0.37707171
  H      3.94001971      3.76327060      4.23662946
  O     -1.37946195      7.81102067      1.04192154
  H      2.44103002      7.00577228      1.65335613
  H     -5.07251049      3.74446352     -0.86342154
  O     -2.03631179      2.15789748      0.04094434
  H     -1.90492714      5.79334864     -1.22400881
  H     -4.59697565      4.01566684     -2.29955239
  O     -2.92876021      4.14366159      1.77117880
  H     -0.43543706      5.36058748     -0.94695001
  H     -2.78460350      2.93998543     -3.31389226
  O      0.71881685      8.91017146     -0.29639146
  H      1.83742144      2.38519719     -1.11884565
  H     -3.62479377      3.27822834     -4.55218402
  O      0.13190316      1.04892588      1.43647039
  H      1.35195272      1.87376360      0.28402815
  H      0.13826070      3.74813981      3.24299517
  O     -1.14125175      2.92314006     -2.48983684
  H      1.20852798      4.14317602      0.17282632
  H      1.56081287      3.20938841      3.46263234
  O      0.91471323      7.18058856     -2.61430137
  H      1.44946256      5.67443708      0.36157951
  H      2.00242101      3.49388890     -2.90400891
  O      3.25283978      3.98137401      3.61279866
  H     -1.15693853      7.17551651      1.72985913
  H      2.07926430      2.13541277     -3.64280148
  O     -4.96199232      4.44696985     -1.51472506
  H     -2.14242138      7.43933481      0.57920790
  H      1.01957099      6.25380954      3.29422118
  O     -3.69315564      3.07930606     -3.62086992
  H     -1.32537760      1.69158413      0.49722391
  H      2.43627873      5.68317156      3.49190632
  O      0.64979647      2.93361335      3.29625679
  H     -1.72599030      2.37115029     -0.84937545
  H      4.41845898      4.32885025      0.49954430
  O      1.62505535      2.59395564     -2.94147810
  H     -2.45349773      3.55097868      1.16748667
  H      3.46640157      3.12276852      0.62995720
  O      1.95313465      6.49612269      3.29227290
  H     -3.81389075      3.77153832      1.80416355
  H     -3.89552887      2.12099906      0.23575685
  O      4.15466622      3.61807289      1.09564772
  H      0.63161074      9.85968871     -0.29020923
  H     -5.29262145      1.50218488      0.42760110
  O     -4.81814982      2.32973330      0.45420535
  H     -0.06219091      8.55639452      0.16506271
  H      2.11126131      5.82633516     -2.73808402
  O      2.68143867      5.04437191     -2.69628350
  H      0.21829794      0.18026632      1.81991170
  H      3.38833748      5.25644220     -2.07777236
          69
 Energy    -248.03099277576447     
  O     16.58266201     10.54818169    -10.65252638
  H     17.41053974     10.10726357    -10.89174389
  H     12.72384422      9.84650901     -8.01649596
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  H     17.12516821      5.88809951    -13.60306107
  O     17.08617954     12.87411447     -9.36856053
  H     16.57436307      6.26469012     -6.83523819
  H     18.32347481      4.94372932    -13.85985938
  O     14.73396200      9.59731563    -12.44978613
  H     16.74615054      4.75612786     -6.61454160
  H     15.78048679      5.73768260     -8.84794684
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  H     16.87225366     12.07618169     -9.88518282
  H     15.57999774      7.15556561     -9.41177009
  O     20.67291847      9.84107956     -9.24632976
  H     17.08792706     13.60691396     -9.97799041
  H     18.48245097      7.55786343    -13.87427121
  O     18.23326653      6.54956784    -10.70771570
  H     14.50487462      8.69744724    -12.17587445
  H     18.70615822      8.87981852    -13.11952070
  O     11.72288078      7.95019918    -10.31467997
  H     15.10693197      9.53077479    -13.33733531
  H     17.20081726     10.95451148     -4.93493480
  O     15.38757898     12.01663974     -7.27297612
  H     19.58145674      9.45036831    -10.68438324
  H     16.49163047     11.07612717     -6.30219807
  O     12.53769700     10.62747974    -11.02148631
  H     18.64080146      8.27153770    -11.06358016
  H     16.90917115      8.94753196    -14.61162886
  O     12.84468155     11.70693703     -8.52621132
  H     20.12495161     10.45237299     -8.72135418
  H     16.01704491      9.44686096    -15.77465404
  O     12.86189249      8.89240900     -8.04460866
  H     21.57510535     10.13677252     -9.16334093
  H     16.18982271      8.56714782     -8.01091778
  O     18.06518631      5.73588274    -13.39663574
  H     17.34498088      6.38244090    -10.36253669
  H     15.93550467      9.45674655     -9.27839554
  O     15.66977601      6.22532134     -9.67531313
  H     18.25950657      6.17101722    -11.59525517
  H     18.46597379     12.05829444     -8.36214677
  O     18.47484151      8.51687615    -13.98506335
  H     10.87346919      7.55376442    -10.14122205
  H     18.52269097     11.17603323     -7.10138353
  O     17.21413675     10.62418792     -5.82961239
  H     12.09506439      8.20628667     -9.45103285
  H     14.53564216      6.59549913    -11.02463117
  O     15.98644969      9.08047448    -14.89542581
  H     14.51429173     11.87730230     -7.65786263
  H     13.14033658      7.22597994    -11.28773645
  O     15.55885388      8.77142707     -8.71490144
  H     15.91375422     12.44502584     -7.96015624
  H     19.15311739      6.99168514     -9.08933079
  O     19.04714687     11.48151637     -7.85103411
  H     12.11628177      9.77350742    -10.86331358
  H     19.98309283      8.19071828     -8.58036398
  O     13.97906283      6.99753654    -11.70770686
  H     13.28043397     10.43342876    -11.60747397
  H     17.35089727      8.82165463     -6.29043874
  O     19.47250092      7.42631315     -8.28792298
  H     12.77620221     11.38930901     -9.44371002
  H     18.13160828      7.80316764     -7.20126623
  O     17.30501206      7.95703711     -6.71513043
  H     12.15191139     12.35296240     -8.41294742
  H     14.87692761      6.48876719    -13.25909227
  O     15.49766319      6.38677989    -13.99313077
  H     13.81227366      8.78923028     -8.19932220
  H     15.54889273      7.25047026    -14.42011790
          69
 Energy    -248.03097834589849     
  O     20.19503374     11.96320099    -18.76622477
  H     20.64995483     11.54211492    -19.49145146
  H     15.62696117     10.35476239    -13.78289181
  O     16.17173131     17.80840245    -14.36862972
  H     20.82458343     12.59507303    -18.37545435
  H     21.40598411     16.25397172    -14.91605327
  O     22.04821299     14.39595067    -14.83775821
  H     16.40034762     17.75028208    -15.31333409
  H     20.23754221     17.03734222    -14.28620356
  O     15.29017247     13.37398333    -13.99324214
  H     15.80688243     18.67967637    -14.23457105
  H     16.95311622     13.03281835    -13.22848180
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  H     21.32793385     13.76920479    -14.65402438
  H     17.86179103     13.59311737    -12.11755144
  O     17.08127080     10.10800546    -12.88378650
  H     22.76999907     14.15420114    -14.26191348
  H     19.13188744      9.53011916    -15.21568053
  O     21.80073021     13.85810670    -17.64964153
  H     15.45909585     13.68005839    -14.89685895
  H     19.42207918      8.09731306    -14.74310130
  O     19.87775784     15.82486769    -17.99398576
  H     14.98315774     12.46125171    -14.05860121
  H     15.66022879     15.84212490    -19.60248273
  O     15.36594100     15.74271257    -12.53694037
  H     16.26143133     12.26411836    -16.72115631
  H     16.92887563     15.08562116    -19.14821764
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  H     15.85444625     11.00220539    -15.93091068
  H     18.41814173     16.19360255    -12.72221211
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  H     17.79894325     17.15076574    -13.77368100
  O     14.86497628     10.62207996    -14.32945580
  H     17.78179305      9.64065620    -13.36130806
  H     17.94323979     17.96579210    -17.03129605
  O     20.99624807     17.12582429    -14.88103258
  H     22.03862591     13.97955114    -16.72404278
  H     16.81305907     17.07100191    -17.61711054
  O     17.78155530     12.87314078    -12.75377077
  H     21.25705789     14.62838364    -17.87026536
  H     16.80667990     15.45231320    -11.61766695
  O     19.05248996      8.92906288    -14.45825680
  H     19.96466990     16.77314588    -17.85226382
  H     17.66638644     15.46577715    -10.32729951
  O     16.21566743     15.67596896    -18.84550061
  H     19.42161939     15.48032004    -17.20917873
  H     19.49770143     11.15499156    -17.26715698
  O     18.59842264     16.65566276    -13.54978885
  H     15.18967506     14.91954003    -13.01536950
  H     18.14035772     10.98695639    -16.52413712
  O     17.01545073     17.72034379    -16.93395249
  H     15.50019200     16.42457496    -13.20613412
  H     18.57536838     15.49723442    -15.00388567
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  H     19.68082994     12.02103394    -15.16926243
  H     19.04384395     14.07182764    -15.38805227
  O     19.10052655     10.86833529    -16.43658654
  H     19.21282198     12.70917431    -13.84559514
  H     18.94320846     14.79901227    -19.13770970
  O     18.59006162     14.85514167    -15.72481454
  H     20.25600065     19.24896063    -17.14411330
  H     18.77093567     13.29274737    -19.34309112
  O     18.35076769     14.13781658    -19.52842676
  H     20.29713033     18.00317893    -16.22799998
  H     15.89165473     14.62336724    -17.32309197
  O     16.06675606     14.12304773    -16.51936948
  H     14.18121859      9.97419133    -14.18697993
  H     16.96048470     14.38037327    -16.24424141
          69
 Energy    -248.03087658271033     
  O     -0.73930377      0.14536072      0.93285931
  H     -0.68750502     -0.81574524      0.94550683
  H     -3.17032256     -1.58293615      3.23937857
  O     -1.08420455      5.20934904     -0.93709154
  H     -0.38389746      0.46461679      1.77509936
  H     -3.02496423      4.07305925      4.50550252
  O     -2.17210458      4.36428222      1.50607377
  H     -1.21882746      5.95180443     -1.51910962
  H     -3.29319497      4.40294584      3.03313064
  O      2.52298597     -0.78872233      0.05268896
  H     -1.55546743      4.45179181     -1.32979109
  H     -0.92079080      0.91392282      4.33475049
  O     -3.17264610     -2.17852889     -0.00998449
  H     -1.87784822      4.83966819      0.72055904
  H     -1.85932057     -0.09218679      5.03663990
  O     -1.31810635     -1.52970637     -2.17123928
  H     -2.42559293      3.47859012      1.20708408
  H     -3.41449428      1.66188262      1.50159434
  O     -2.39203267      3.00193687     -1.81304339
  H      2.16804471      0.03343199     -0.31281528
  H     -2.19278589      1.17771015      0.69595958
  O      1.00968335      1.41801156     -0.77313997
  H      2.09958524     -1.49761415     -0.44506653
  H     -3.17243209      1.19656857      3.81267949
  O      0.96630409     -2.73804633     -1.36588610
  H     -3.40452607     -1.80144028      0.85751470
  H     -4.09883957      2.36420845      3.46299381
  O     -0.60383854     -2.72779880      0.95344178
  H     -3.92666951     -2.69453923     -0.28463172
  H     -1.29714730      3.71508305      6.44484414
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  H     -1.54549765      2.58211146      5.42690151
  O     -3.71236526     -1.28333215      2.50003156
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  H      0.96777352      4.02218811      1.29099691
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  H      0.04939765     -2.58936840      2.61988926
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  H      1.13726483     -1.78772336      3.36021315
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  H      1.14432103      2.30536081     -0.41042469
  H      1.26757720      0.72795559      3.11647084
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  H      1.22532079     -3.42270150     -1.97663326
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  H     -0.70359418      4.06983234      2.50718320
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  H     -1.51054289     -2.72508456      0.61911637
  H     -0.26334842      3.92178233      3.96810159
  O      0.40675277      1.15426196      3.20887436
  H     -0.01791894     -2.86488282      0.19800905
  H     -0.14591900      1.23985505     -3.77129157
  O      0.07028650      3.88924137      3.06349855
  H     -2.16864019     -2.63463427      5.35637246
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  H     -1.12892683     -2.08565191      4.35056395
  H      3.45416480     -0.62601041      3.05950121
  O      2.55141222     -0.55809596      2.76034816
  H     -3.98671721     -0.38506504      2.72334648
  H      2.57076927     -0.66832228      1.79299906
          69
 Energy    -248.03087040148415     
  O      1.12158888      4.54272866      4.31901114
  H      2.04507170      4.38220380      4.09094507
  H     -1.27713741      3.76023522      0.73902327
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  H      1.85115472      5.90466680      1.49835989
  O     -0.04545265      2.12608381      3.53272368
  H     -0.14806753     -1.57801147     -4.73754155
  H      2.39296458      5.13409116      0.28144426
  O      0.77333998      3.26337313     -3.65361220
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  H      1.14441685     -1.38797950      1.96185405
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  H      2.03014340     -0.29438437      2.62909009
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  H     -0.68457312      2.22244607      2.81627094
  H     -2.85551634     -1.01422347     -0.18834062
  O     -2.71744417     -0.16373915      2.65936016
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  H     -3.34500888     -2.45374835      0.08510217
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  H      2.81539312      0.67864528     -3.49700533
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  H      1.55688806      0.34605669     -4.31563503
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  H     -2.53959188      0.84362810     -1.68787668
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  H     -0.74059594      0.50003706     -3.30403542
  H     -2.95514357      1.24788043     -0.26431394
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  H      0.46664393      5.67027022      3.15317920
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  H     -2.04066299     -0.40196724      3.30559444
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  H     -2.72280549     -0.85713627      1.98861498
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  H     -0.26084395      1.05755538     -1.17350612
  H      1.08550963     -2.00459578     -1.19042770
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  H      1.02585246      1.28280194     -0.31815878
  H      3.40359084      0.59750343     -1.33475208
  O     -3.09957564      0.58209115     -0.94466034
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  H      4.59166871     -0.24591387     -1.85420605
  O      0.18880280      6.22636204      2.40399475
  H      2.74904461      1.74942943      0.70859963
  H      0.69006000      4.22831044     -0.58384653
  O      1.50024815     -1.95869222     -2.06164071
  H     -0.43699363     -0.91778680      5.30168996
  H      1.30974287      3.93543047     -1.97825390
  O      3.65965107     -0.08594009     -1.97826965
  H      0.22176996     -0.79397552      3.90516320
  H      0.16472365     -0.73304674      0.17591196
  O      1.53101037      4.11679470     -1.05822721
  H      4.56264308      4.36846332      3.38552516
  H     -0.77114955     -1.92742575      0.41140856
  O      0.16039857     -1.67750453      0.40052900
  H      3.40163803      4.57171074      2.38268730
  H     -1.13258714      1.64755894      0.78820326
  O     -1.83544543      2.04418758      1.32905533
  H     -0.56595231      5.09369634      1.09463760
  H     -2.25047786      1.32600444      1.83317810
          69
 Energy    -248.03077480542788     
  O     -2.29191066      5.09086189      4.12791750
  H     -1.75063254      4.79850555      3.38235141
  H     -3.15245322     -3.77512265      1.43776309
  O      1.10410389      0.42757237      0.88212515
  H     -1.98040208      4.58343850      4.88791582
  H     -0.69799783      2.12586923     -1.15296173
  O     -1.12869467     -0.42455830      3.73084654
  H      0.62406735     -0.39384543      1.03943543
  H      0.26455878      1.76652636     -2.31382707
  O     -4.05206326      1.31244782      0.47408384
  H      0.78541022      0.76705298      0.03634723
  H     -5.44810087      5.36001303      4.20953448
  O     -3.42153986     -2.46373608     -2.08523065
  H     -1.60822528      0.36141426      3.42215915
  H     -4.01136831      4.84911047      3.95337823
  O     -0.76603317     -1.71545341      1.27724806
  H     -0.87323902     -0.90269189      2.93100168
  H     -1.52980823      3.46777812      0.44174619
  O     -5.41560648     -0.15389690      5.07353344
  H     -4.39958991      0.45628183      0.77116920
  H     -2.70326476      2.67702392     -0.18202730
  O     -7.05467019      0.55963726      3.05460660
  H     -4.68626250      1.97113571      0.80243929
  H     -5.53978541      3.47922950      2.52380725
  O     -1.57875285      3.24566106      6.21098072
  H     -2.93247610     -1.71222447     -1.71545632
  H     -6.31085575      2.15191104      2.30140108
  O     -2.13602021     -0.35221350     -0.79849061
  H     -3.68679639     -2.20007490     -2.96290746
  H     -1.45525612      2.98552851      2.46191310
  O     -5.08867690     -0.92443746      1.66712326
  H     -1.28504209     -1.30617303      0.57134859
  H      0.02699758      3.39394948      2.29656897
  O     -2.44246255     -3.87618233      2.09847876
  H     -1.22666467     -2.52966027      1.51531053
  H     -2.69550632     -1.35303069      3.93262923
  O     -0.10283410      1.43565232     -1.49907747
  H     -4.90871830      0.64777396      5.26514324
  H     -3.22941937     -2.67764198      3.37029483
  O     -4.94998700      4.58771436      3.95491802
  H     -4.78085281     -0.82952036      4.80444982
  H      2.50589849      2.66741957      2.57439907
  O     -1.88463779      3.13588066     -0.39577518
  H     -7.96716099      0.36155152      3.24694293
  H      1.44491159      1.67416682      2.04752458
  O     -5.79558548      2.83540201      1.85297962
  H     -6.53831975      0.30854729      3.84248588
  H     -0.13775951      0.78654754      4.73452792
  O     -0.87621322      3.69969690      2.15018550
  H     -1.28809820      3.42529961      7.10112848
  H      0.78314421      1.93698692      4.30319244
  O     -3.50832815     -1.86247390      3.80501175
  H     -0.90259351      2.67153009      5.80849990
  H     -4.47650918      3.05932948      4.92082984
  O      1.58793264      2.42251352      2.65449127
  H     -1.41671607      0.18804134     -1.15099340
  H     -3.22185306      2.55969864      5.69206252
  O      0.23939624      1.62430039      5.03617250
  H     -2.78693650      0.25726448     -0.42834204
  H     -4.81106293     -2.53297245      0.70093131
  O     -4.02631248      2.26681077      5.24256650
  H     -5.87058850     -0.50768348      2.05044798
  H     -4.13497331     -3.13994419     -0.55091626
  O     -4.41741166     -3.34275723      0.35203795
  H     -4.53340433     -1.20752878      2.40794137
  H     -3.17286442      1.54372016      2.11027296
  O     -2.62174232      1.69343466      2.88636613
  H     -2.28443248     -4.81127719      2.19354117
  H     -3.19593699      1.88258816      3.63939325
          69
 Energy    -248.03076814748474     
  O     -1.12819425      4.19282662      1.02935962
  H     -0.88683507      3.94226298      1.93556512
  H      1.70254958      5.69419704      1.19476840
  O      2.29637430      2.71658799      3.16060470
  H     -0.50104547      4.88311732      0.78525845
  H     -3.42433666      1.73256082      1.84171368
  O     -1.68776641      1.20484262      4.28650028
  H      2.51355813      2.35436479      4.02860933
  H     -3.86338605      0.25812811      1.65475437
  O     -0.36106703      3.53684777      3.56130624
  H      2.04630344      1.97638273      2.59020247
  H     -0.11066797      8.49520723      3.30616075
  O      1.53793761      0.61148282      1.56617362
  H     -2.19335204      0.95478369      3.50406706
  H     -0.48360274      7.04169779      3.67719011
  O      2.49361255      1.66087626      5.71919105
  H     -0.89676845      0.64562118      4.32408019
  H     -2.42401158      2.25538141      5.60825719
  O      0.97199280      2.26624766     -1.71228446
  H      0.58181588      3.33847044      3.51410582
  H     -3.31661571      3.50997310      5.56616924
  O      3.21214098      4.94066064      1.92360218
  H     -0.82203982      2.73316917      3.83704305
  H     -0.94235714      5.03282780      4.25988141
  O     -3.70989710      3.44520610      1.82832039
  H      2.22094615      0.70684440      0.89091315
  H     -1.21184368      5.68785744      5.62643457
  O      2.28483507      6.08348840      4.36729092
  H      0.70183844      0.87859997      1.15601392
  H     -1.60471112      4.05503737      6.91724667
  O      0.71942661     -0.08890933      4.24290559
  H      2.18045008      2.53748458      6.01139157
  H     -1.17313318      4.87467121      8.15680180
  O      0.90096143      6.09163764      0.82246227
  H      3.19952835      1.41265145      6.30965999
  H      5.05902317      4.32563594     -0.95517945
  O     -3.11525490      0.80821308      1.87032097
  H      1.77169361      1.82298003     -1.40690814
  H      3.51021676      4.29834646     -0.93877230
  O      0.10739042      7.58344360      3.12853760
  H      0.26434073      1.93118049     -1.14789173
  H      1.50034935      4.02967454     -1.65281389
  O     -2.76110504      2.98201408      6.15108696
  H      2.92117573      4.12757867      2.36851361
  H      1.50447332      5.37799234     -0.86977850
  O     -1.32981459      5.82121719      4.67733474
  H      3.72994254      4.65759897      1.16318968
  H      4.05088378      0.72510444     -0.91675320
  O     -0.99776756      4.75121239      7.22802660
  H     -3.85919359      3.92608075      2.65084782
  H      3.78276167      2.16430610     -0.42994075
  O      4.31037044      3.92259598     -0.52381084
  H     -2.92533433      3.83944221      1.42221016
  H     -1.58767458      1.12873231      0.77739300
  O      1.99514383      4.85104531     -1.51106409
  H      2.77470457      5.78251335      3.59154423
  H     -0.89189122      2.48010004      0.50733340
  O      3.41203692      1.26834819     -0.46031670
  H      1.61928492      6.68738151      4.02123017
  H     -3.05807289      5.31858797      4.38286372
  O     -0.80616233      1.52361948      0.37469932
  H      1.05880697     -0.02427946      3.34114415
  H     -4.58459683      5.53980150      4.47432589
  O     -3.91945554      4.88123457      4.28718947
  H      1.32735181      0.40974970      4.80308916
  H      1.90489796      4.84970657      5.68141509
  O      1.66827265      4.14892230      6.30642092
  H      0.58880930      6.71465346      1.48896500
  H      0.79145894      4.35598412      6.64620682
          69
 Energy    -248.03062096631822     
  O     15.43423917     12.49849532     -9.94656630
  H     14.80539249     11.83819901     -9.62931743
  H     12.27107038     11.73844955    -13.90574589
  O     13.53773970     14.09918933    -16.04893450
  H     16.31451063     12.13847926     -9.76933849
  H     11.83025322     15.34461246    -12.59573093
  O     15.33267074      8.56126028    -12.84280759
  H     12.98570790     13.31292604    -15.95185264
  H     13.21981174     14.75279143    -12.85837931
  O     16.47400777     14.85400181    -11.28623097
  H     14.18540347     13.87698564    -16.72932143
  H     18.80665010     12.52767953    -13.40735414
  O     12.44694526     11.49510374    -15.66457119
  H     15.05163702      7.84288281    -13.42304105
  H     19.80892714     12.13413994    -14.52094349
  O     14.26265205      6.67644326    -14.62272445
  H     15.84920690      9.17833617    -13.37961830
  H     13.26028387      9.98350142     -8.58084287
  O     13.75393314      8.23398272    -16.77688467
  H     15.93594271     15.02081087    -12.06826557
  H     13.40706222      9.92656988    -10.11749050
  O     15.03826447     12.10236675    -12.67329195
  H     15.96117250     14.25896463    -10.72455955
  H     16.05058501     13.52312732    -18.50606741
  O     12.89145352      9.43959828    -11.74697651
  H     11.87092351     10.74406662    -15.85457500
  H     16.29145894     13.52478158    -16.97598966
  O     14.99434776     10.72991043    -16.51907739
  H     13.33886309     11.22721833    -15.93079622
  H     11.25005187      8.60642059    -15.19195315
  O     17.14470859     14.08772390    -15.57810964
  H     14.51160771      5.79518282    -14.88724900
  H     10.24028025      8.78956175    -16.34983556
  O     12.29719025     11.82955611    -12.94184041
  H     14.14233729      7.19391838    -15.43969133
  H     15.49750212      9.35404722     -9.81681767
  O     12.35374610     14.55526631    -12.47539372
  H     14.25338492      9.06161016    -16.80961572
  H     16.06194879      8.79289056    -11.13660906
  O     18.87915753     12.21951548    -14.33048366
  H     12.82604857      8.48628872    -16.69799603
  H     17.44689734     10.37737581     -9.96545070
  O     13.84061546     10.22241778     -9.29905703
  H     15.23675359     12.22319843    -11.73572736
  H     18.49615587     10.98737994     -9.00619200
  O     15.71323358     13.18264589    -17.68231219
  H     14.08717608     11.95051709    -12.75337402
  H     17.46772250     11.00253909    -14.34421234
  O     11.09651950      9.06738367    -16.03611597
  H     12.58536296     10.26657438    -12.15038219
  H     16.07178713     11.14912543    -13.69129160
  O     16.31544480      9.08124123    -10.24993121
  H     13.73580775      9.19840159    -12.15726705
  H     12.54466391      7.24941399    -13.97392572
  O     17.93253736     11.19277642     -9.74752739
  H     15.60366125     10.64755981    -15.77194689
  H     11.98572853      8.26493064    -12.96141649
  O     16.60582116     10.57738728    -14.26793271
  H     15.26936793     11.50307919    -17.02729455
  H     17.91981738     13.75890450    -11.63463778
  O     11.75258400      7.75188819    -13.74475715
  H     17.77655099     13.49557468    -15.15109444
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  H     16.55605447     14.41441717    -14.88934457
  H     14.42457125     14.55179921    -14.57294910
  O     14.92452456     14.63843707    -13.74463262
  H     12.16216181     12.76264125    -12.72570699
  H     15.04607783     13.73904274    -13.40039998
          69
 Energy    -248.03058433017151     
  O     -2.95209721     -0.87631535      1.72356763
  H     -2.60991313     -0.09061821      2.17294984
  H      3.83731821      2.13943908      5.53805174
  O     -1.61917806      3.24017519      0.95293564
  H     -2.57463856     -1.63412019      2.18584466
  H      3.57827355     -3.66148906      2.73917570
  O     -1.07400765      1.83227140      5.53188868
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  H      3.10436211     -2.38350467      2.00592131
  O      3.38742606     -1.09517004      0.86974306
  H     -2.45168112      3.33908222      0.47493890
  H     -1.79577087      2.07360543      2.30595209
  O     -1.73631022     -1.48905012     -0.76229425
  H     -1.83566317      2.00429360      6.07959728
  H     -0.86358002      0.91874517      2.74336817
  O     -3.42327848     -0.23256806     -2.62455243
  H     -1.40664669      1.65795401      4.63532997
  H      0.51009384     -2.74522750      0.45139170
  O     -4.59290736      0.56346358     -0.13911307
  H      3.46449925     -0.23329126      1.30223993
  H      1.29954039     -3.47968843      1.54773173
  O     -2.04986543      2.10542930     -2.45115288
  H      2.62480651     -1.02274923      0.28139441
  H     -0.02372975     -2.38905479      3.93526694
  O      0.76730622     -0.76360292     -0.20198763
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  O      0.64356417      0.12471751      2.41051862
  H     -2.30135315     -1.16669458     -1.47413186
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  H      0.66620676     -0.50372104      0.72794850
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  H      0.47430965      1.06161238     -0.65871054
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  H      1.47985931      0.60813949      2.37593117
  H     -4.73148445      3.69416134     -0.67323270
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  H     -0.88241085     -3.25513918      2.20774327
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  O     -3.94585635      3.16612271     -0.56299016
  H     -1.95971483     -3.86931858      3.13190533
  H      1.77103564      3.96402250      1.00276618
  O      2.38632483      3.46913344      0.42871584
  H      2.54353869      1.33514638      5.26480104
  H      2.93370306      4.11251026     -0.01295841
          69
 Energy    -248.03058119856638     
  O     -8.68072784     -1.19495796      6.20795726
  H     -7.93065305     -0.59096957      6.21774523
  H     -7.39179390     -2.05049561      0.24681516
  O    -10.32279820     -2.48615624      2.54065115
  H     -9.46866754     -0.63734941      6.21252992
  H     -4.21838893      0.39816891      1.94120082
  O     -8.56500154     -3.38811552      4.60522605
  H     -9.79592862     -2.89644594      3.23647365
  H     -2.88011906      1.01687686      2.43363079
  O     -5.22484353      0.23944745      0.40906740
  H    -10.51622085     -1.59287191      2.85475497
  H     -7.24980607     -0.60628285      3.14426672
  O     -6.58796541      0.81286973      5.67285503
  H     -8.61950382     -2.63120129      5.21609652
  H     -7.52377387      0.74513425      2.40653646
  O     -4.59403899      4.84801279      0.60402157
  H     -8.61084605     -4.17585372      5.14048494
  H     -0.65623709      2.28150601      1.88668109
  O    -10.19091870      1.08742877      0.67367927
  H     -5.53235910     -0.66741365      0.29718285
  H     -1.98833159      2.99299378      2.23044078
  O    -10.81386901      0.70803034      6.02639697
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  H     -8.80202557      5.37964003      4.23961092
  O     -4.64680043     -0.96135786      4.89349860
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  H     -7.99763618      4.34519363      3.44350909
  O     -3.59633455      2.47227882     -0.26085273
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  H     -7.16303855     -2.78155787      3.54935043
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  H     -6.43359914     -2.43242127      2.20078162
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  H     -4.27612321      4.00867536      0.22474959
  H     -9.50701507     -2.01665870      1.00540563
  O     -3.69503473      0.59430048      2.73076371
  H    -11.00389113      1.39503938      0.28135074
  H     -9.41033344     -0.70031608      0.21683919
  O     -7.67343160      0.25928636      3.22581873
  H    -10.39677458      0.85109656      1.59427429
  H     -8.76774487      3.18794390      5.46977219
  O     -1.60118002      2.22185389      1.77837554
  H    -11.49885170      0.89572302      6.66152259
  H     -7.97471821      2.04387722      6.15885446
  O     -8.65435589      4.44061565      4.14905483
  H    -10.14848180      1.41693849      6.10908339
  H     -3.49972829      4.62817247      2.19294983
  O     -6.46300800     -2.24975056      3.14777532
  H     -4.14230426     -0.47327144      4.22923775
  H     -3.64383530      3.84021196      3.50841486
  O     -9.04083138     -1.58603866      0.27181736
  H     -5.20587335     -1.55594408      4.37505634
  H     -5.50522032      2.19874734      4.78987377
  O     -8.82214619      2.50430242      6.15253633
  H     -2.81575994      2.33441551      0.29060497
  H     -4.58033045      1.91328579      3.59101493
  O     -2.99494419      4.26237983      2.93019659
  H     -4.12070690      1.66474412     -0.18650185
  H     -7.30149013      2.59052355      1.29228070
  O     -5.03086918      2.62590328      4.06995494
  H     -9.45718052      0.22586865      3.33563900
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  H    -10.73306311      0.44763885      4.17877744
  H     -6.10548738      3.50105274      2.93496580
  O     -6.64629923      3.96605054      2.27713567
  H     -6.31941124     -3.02532718     -0.29818109
  H     -6.02986620      4.39077080      1.66736882
          69
 Energy    -248.03055233300694     
  O     11.41183242      9.28426983    -15.08772139
  H     11.51521084     10.18183380    -14.75163618
  H     19.65190717     11.03964451    -14.30799666
  O     17.10144493      7.93440012    -13.94550518
  H     12.03212597      9.19937277    -15.82572268
  H     14.50650606     12.06226394    -16.38925416
  O     16.05752261     11.09901535    -11.24738644
  H     16.62330240      7.27153074    -13.42956005
  H     14.91420676     12.59100755    -15.02073959
  O     16.29046098     11.82401520    -14.00552546
  H     17.59726394      8.47484522    -13.31323474
  H     15.57318398      8.85652247    -14.24356520
  O     15.12092248      6.70417835    -17.19916061
  H     15.14174293     10.94088399    -11.51667107
  H     14.36779469      9.23763802    -15.16676509
  O     14.59624039      7.63560276     -9.09412143
  H     16.11139906     10.79835000    -10.33087969
  H     11.52485068      7.80674678    -14.19583638
  O     15.46371573      6.32128669    -12.40062390
  H     16.35534058     11.84248325    -13.04443658
  H     10.82262623      6.50513149    -13.74314143
  O     13.49589943     10.46448355    -12.23786668
  H     15.78191641     11.02359932    -14.21158026
  H     17.56365610      8.72597392     -9.21438687
  O     17.07712194      8.71723783    -16.59547867
  H     14.79725373      6.36562260    -16.34380615
  H     18.33465876      8.52297017    -10.52488407
  O     16.67755665      5.82589053     -9.92883757
  H     15.12733211      5.96447159    -17.80056057
  H     14.63749659      5.88434671    -14.02176186
  O     18.47662403     11.11130383    -15.65844411
  H     15.21898705      6.92007336     -9.27131208
  H     13.23109910      6.22438708    -14.53710221
  O     20.13251195     10.96545999    -13.46684681
  H     13.99234002      7.65341867     -9.84854485
  H     18.98063435     10.06266782    -12.45972382
  O     14.17449132     12.57476770    -15.64428329
  H     14.72525807      6.87183501    -12.10337376
  H     17.55129695     10.12671057    -11.81154676
  O     14.83040042      9.46428406    -14.35394925
  H     15.91604616      6.02111268    -11.60270795
  H     15.49565402      9.11242592     -8.80462105
  O     11.66006971      6.96124652    -13.73140358
  H     13.95254760     10.03418523    -12.98209041
  H     15.94887737     10.21345514     -7.81769251
  O     18.12343863      8.09526029     -9.68288120
  H     12.87072672     11.06669472    -12.65501529
  H     15.99416912     11.28507298    -18.24300877
  O     14.10107099      5.92167682    -14.82411323
  H     17.23482727      8.43540283    -15.68107097
  H     16.07824932     10.15788725    -17.19984710
  O     18.27822347      9.53660316    -12.05066867
  H     16.52979380      8.01373839    -16.96584320
  H     12.60455210      7.45286993    -12.19836964
  O     16.09039182      9.87663767     -8.69844615
  H     17.10282361      5.09833925     -9.48391197
  H     13.24218805      8.75560150    -11.66321709
  O     15.48352052     10.82388240    -17.58128993
  H     17.27061116      6.59484769     -9.84301405
  H     12.72503680     12.18907901    -14.70230263
  O     13.21693164      7.79668702    -11.53607248
  H     17.73297851     11.44690827    -15.13626105
  H     11.37093721     12.67364914    -14.14121117
  O     11.97537918     11.93596454    -14.13569637
  H     18.17280603     10.29521623    -16.06861998
  H     13.95930176      8.14896573    -17.09459027
  O     13.52047956      8.98153562    -16.87557998
  H     20.90706399     11.51382644    -13.55367448
  H     14.04720587      9.68258116    -17.28095977
          69
 Ord_Energy   -248.030441    
 O   -5.46957636      -7.54671049      0.549424648    
 H   -6.03666019      -6.85949516      0.159286544    
 H   -5.35211945      -8.20809841     -0.126283705    
 O   -7.59691811      -5.90606737       3.85898185    
 H   -6.70991135      -6.03708076       3.49350929    
 H   -8.20159912      -5.88198137       3.10822415    
 O   -3.79279375      -6.10794067       5.32930279    
 H   -4.16056299      -6.20834208       4.43472576    
 H   -3.17609859      -6.82495594       5.45441246    
 O   -9.27105618      -5.33298969       1.57718134    
 H   -9.22721672      -4.36248779       1.60474777    
 H   -10.1843920      -5.56088161       1.41963375    
 O   -8.13965702      -1.77742982       6.71573925    
 H   -8.70467663      -1.71056294       7.48080301    
 H   -7.32471228      -2.22320366       7.01234484    
 O   -7.12509298      -5.53769159     -0.316446573    
 H   -7.90081692      -5.56231642      0.257176667    
 H   -6.83981371      -4.61673975     -0.326601088    
 O   -1.97814977      -2.35557103       1.53709447    
 H   -2.38844061      -1.50403583       1.30067611    
 H   -1.24034727      -2.47976828      0.946127832    
 O   -2.74047518      0.971482337       3.77815151    
 H   -2.40119147       9.66530889E-02   4.04293060    
 H   -2.15774846       1.62215650       4.15887976    
 O   -5.97495270      -3.23142624       7.38561916    
 H   -6.20554495      -4.14796066       7.16982269    
 H   -5.06956100      -3.11914134       7.07892609    
 O   -5.43652534      -2.33040857       4.05577898    
 H   -5.42896748      -1.36642718       4.00793266    
 H   -6.34843779      -2.61573029       4.19183397    
 O   -6.42550993      -2.80077004      0.303412378    
 H   -7.22662926      -2.79147553      0.846295595    
 H   -5.70727158      -3.16338611      0.843979836    
 O   -5.46336508      0.416636378       3.73624635    
 H   -5.61862278      0.291179687       2.78853035    
 H   -4.55191708      0.715893149       3.84297752    
 O   -1.89537680      -1.53809416       4.30835533    
 H   -1.83627725      -1.95806134       3.44209051    
 H   -2.34179759      -2.16178370       4.89596319    
 O   -3.19705749       3.59984897E-02   1.10552537    
 H   -3.02661157      0.503025830       1.93385458    
 H   -4.14592361       9.70112905E-02  0.944282055    
 O   -8.04468632      -3.22405028       4.34926128    
 H   -7.90526915      -4.18016815       4.38337469    
 H   -8.21620560      -2.87548876       5.23211575    
 O   -8.80627060      -2.62498307       1.83032167    
 H   -8.56585217      -2.78940916       2.75736785    
 H   -8.94269276      -1.67373037       1.75681305    
 O   -4.38350725      -3.68144631       1.95708835    
 H   -3.50830269      -3.33031058       1.75370896    
 H   -4.72808361      -3.17188334       2.70769429    
 O   -6.08318090     -0.101272292       1.04890180    
 H   -6.11619186     -0.997742534      0.686166286    
 H   -7.00086975      0.134937122       1.23327434    
 O   -6.41118956      -5.82159662       6.47131824    
 H   -6.95070934      -6.00798130       5.69429255    
 H   -5.50346661      -6.00993633       6.20004416    
 O   -8.09305096      0.244490787       4.61475515    
 H   -8.13551617     -0.373554915       5.35227203    
 H   -7.15323400      0.425121367       4.46667528    
 O   -4.98097563      -6.19820881       2.86468601    
 H   -5.08820915      -6.79207134       2.10791612    
 H   -4.73626328      -5.33236361       2.50577235    
 O   -3.53680658      -3.29231977       5.79852676    
 H   -4.23541784      -2.96383739       5.20985937    
 H   -3.51639533      -4.25011730       5.68255615    
 O   -8.78345776      0.191201225       1.98351228    
 H   -9.41796970      0.878742099       1.79919612    
 H   -8.61424637      0.216825321       2.94291925    
          69
 Energy    -248.03039521736588     
  O      2.03013501      0.08798316      4.42711536
  H      1.61235144      0.94492080      4.57215725
  H     -2.94414188      3.55241154      0.78742588
  O      0.62374764     -0.21264557     -3.09841457
  H      1.41318169     -0.57776064      4.75782377
  H      0.48178284      2.56198413      1.36249314
  O     -2.03752457     -0.68295724      6.05808328
  H     -0.06616419      0.18470293     -2.55165275
  H      0.27448911      2.89124014      2.87604283
  O     -1.04679946      0.75534633     -0.99258577
  H      0.65317043     -1.14209543     -2.83822034
  H     -2.42018045      1.87378828     -0.90626666
  O      0.84867161     -2.78803738     -1.84128720
  H     -2.93409919     -0.93352040      5.79043710
  H     -3.49928850      2.70545350     -1.63688050
  O      2.96205417     -1.61640247     -0.62087059
  H     -1.99234646      0.27128180      5.92764935
  H     -2.64247507      0.65748218      2.05693162
  O     -3.94091285      3.63027443      4.03563164
  H     -1.20341121     -0.15190027     -0.69637378
  H     -1.28371816      1.42176532      2.22422582
  O      0.69850760      2.62829912      4.69851526
  H     -0.23044912      1.05407190     -0.56845928
  H     -0.58992220     -2.32939274     -0.77499793
  O      2.90993722      0.87594380     -2.07966123
  H      1.09149425     -3.63454297     -2.20636859
  H     -1.01873167     -2.01312361      0.69726136
  O     -5.24304147      1.08519665      3.64073056
  H      1.63742330     -2.44021847     -1.38689853
  H      1.10798278     -1.11005709      1.90373261
  O     -4.62293785     -1.10817549      5.17895802
  H      2.74394207     -1.35896413      0.28612649
  H      2.18434326     -0.35148581      2.68920220
  O     -2.70096261      3.94639211      1.63256497
  H      3.13593500     -0.79554917     -1.09662248
  H     -2.62367742      2.57498149      4.84913003
  O     -0.14836498      2.90903613      2.00844021
  H     -4.38693024      4.43995830      4.26854045
  H     -1.94312202      1.35456396      4.20543355
  O     -3.19571363      2.44507856     -0.77097913
  H     -3.53892495      3.77488563      3.16030942
  H      1.97862766      1.46279440     -0.56017863
  O     -1.79547749      0.65889141      2.52262196
  H      0.99214994      3.27353106      5.33700834
  H      1.60667718      0.77606117      0.78098744
  O     -1.28790456     -1.94429093     -0.23090833
  H     -0.22581327      2.41650078      4.91570382
  H      0.35464726     -2.68124369      5.71901770
  O      1.95141265     -0.65020960      1.79853298
  H      3.47286236      1.28128193     -2.73326974
  H     -0.65960018     -1.53492502      5.49629265
  O     -1.92413213      1.92584046      4.98990264
  H      2.13371717      0.52519861     -2.55187320
  H     -1.01639968     -0.91487724      2.47884228
  O      1.37991672      1.51383498      0.19393685
  H     -5.01073866      0.90379137      2.71945002
  H     -0.32246485     -2.01736325      3.30777021
  O      0.12944937     -1.97064456      5.12487215
  H     -4.90028020      1.96616550      3.82665566
  H     -4.40373926     -2.71816953      0.11048445
  O     -0.53848781     -1.75730419      2.40432201
  H     -4.86691660     -0.33132394      4.64839717
  H     -3.09580637     -1.98415217     -0.22752060
  O     -4.05359181     -1.86347646     -0.13020820
  H     -5.44406580     -1.46239217      5.50996371
  H     -4.01582561      1.25024542      0.41510620
  O     -4.19931434      0.59564087      1.09898756
  H     -1.76280823      3.74077508      1.75236132
  H     -4.24021312     -0.27093500      0.66923018
          69
 Energy    -248.03033380866216     
  O     16.40117713      9.19373560    -16.51097013
  H     16.75643405      8.97226339    -15.63917024
  H     17.47641632     10.10141897    -17.53868808
  O     15.11123656     12.69023202    -15.98283440
  H     15.49784667      9.49563968    -16.36044606
  H     15.51372433     12.75022432    -11.57332125
  O     19.00413797     10.98053783    -10.01844043
  H     15.81377009     12.36186790    -15.40038126
  H     14.13613697     12.86841775    -10.88558177
  O     19.71432982     13.09029518    -11.62987190
  H     14.50914212     11.94514657    -16.08835678
  H     20.39564862     15.70202869    -13.47194656
  O     13.93289732     10.19503687    -13.15134372
  H     19.28873649     11.78004424    -10.49101836
  H     18.92011923     15.73239181    -13.06927707
  O     16.29395247     10.11891009    -10.19355112
  H     19.54181018     10.92641422     -9.23155667
  H     20.50131069     11.55466978    -14.39544161
  O     17.27342167      8.93839694    -13.84081419
  H     20.16690516     12.56198351    -12.30332823
  H     21.76868770     12.19368596    -13.77450335
  O     17.05532477     13.33569757    -17.94802972
  H     19.83857410     14.01805568    -11.87726576
  H     15.77649973      8.80246691    -11.18945892
  O     18.93263566     14.33176405    -16.20145269
  H     14.33443541      9.42534201    -12.72933765
  H     15.26146653      7.35456174    -11.38531000
  O     19.33117262     11.63595819    -15.73170873
  H     14.14460910     10.94509467    -12.58359163
  H     20.39252638     15.20155804    -15.67722466
  O     13.78211899     10.22420699    -15.86032739
  H     15.75334633     10.88038527    -10.43877626
  H     21.36080362     16.39912305    -15.76712648
  O     18.10929931     10.63705981    -18.05068709
  H     17.19946229     10.43707249    -10.09623844
  H     17.86692547     15.01957423    -14.83037816
  O     14.73741789     12.24263082    -11.28193729
  H     16.65698326      8.56339459    -13.20091694
  H     16.44386212     15.49604043    -14.43555250
  O     19.81118354     15.62798452    -12.70919788
  H     18.12813276      9.03398852    -13.39290773
  H     23.64273529     13.98314440    -13.88960060
  O     21.02863384     11.60191839    -13.58380037
  H     16.29220641     13.17614426    -17.37700399
  H     22.33780462     14.29690286    -14.63646074
  O     15.44165643      8.16722922    -11.84895313
  H     17.41598244     12.45861977    -18.12881956
  H     19.38415461      9.83425513    -11.56285002
  O     21.17750379     15.60570785    -15.26990645
  H     18.28351134     14.20505615    -16.90788962
  H     20.20338191     10.08162678    -12.83863158
  O     17.34374795     15.37709108    -14.10003354
  H     19.20726298     13.43271568    -15.97123062
  H     16.98989472     10.72551947    -14.03948792
  O     22.85363454     13.57828812    -14.24238189
  H     18.51648514     11.63498133    -15.20366276
  H     17.03072859     12.19251116    -13.47618921
  O     19.57214760      9.47099698    -12.43521723
  H     19.09622895     11.24325093    -16.58060089
  H     14.80945200     14.38443341    -15.44612211
  O     17.02019785     11.66166512    -14.28044519
  H     13.80823499     10.21408479    -14.88620623
  H     14.26883618     15.78823689    -15.76321169
  O     14.79592020     15.30352737    -15.13274698
  H     12.94769686      9.84019240    -16.11516428
  H     17.91914887     13.30370237    -11.87149440
  O     17.00917985     13.45264791    -12.15969101
  H     18.38420460     10.10069501    -18.78923938
  H     17.03736514     14.17761233    -12.80126254
          69
 Energy    -248.03010513836702     
  O     12.12490924      5.32513495    -14.59728170
  H     12.55231171      6.15901646    -14.83348205
  H     14.82059126     11.52139670    -14.03870371
  O     17.21555420      6.23820132    -12.96835759
  H     12.74154572      4.62632095    -14.84870379
  H     16.61773466      8.53736262    -11.00899253
  O     15.70434590     10.28890828     -8.53891245
  H     16.71775820      5.96725186    -13.75414875
  H     16.47054516      7.74837658    -12.33157870
  O     18.80495092      8.28752233    -13.97216733
  H     17.91735077      6.83204516    -13.26969277
  H     11.72225579      5.06051601    -12.92572897
  O     14.18490174      3.33952589    -14.88538770
  H     15.15585758      9.48381229     -8.52611027
  H     10.70962675      4.59644575    -11.84996770
  O     14.44312468      7.89205449     -8.51266984
  H     15.59774761     10.70793397     -7.68845865
  H     17.51220753      7.72937722     -9.12840571
  O     15.66904528      5.24954032    -10.89615560
  H     18.42964961      8.09930466    -14.84813988
  H     17.16747920      9.24342326     -9.07822505
  O     13.56390588      8.92135713    -12.55264490
  H     18.48252936      9.16403630    -13.74434701
  H     14.66943201      3.82377484    -11.67713729
  O     16.72383355      6.13114748     -8.53547946
  H     14.17886118      3.25057554    -13.91547753
  H     13.16596226      3.71215408    -11.99476130
  O     15.13286699      9.48561683    -16.57164328
  H     14.20325805      2.45680916    -15.24452471
  H     18.37385292     10.61174873    -12.21760387
  O     15.69602751      5.67789932    -15.18533578
  H     13.92654849      7.53348995     -9.24650017
  H     16.97957858     10.00539575    -12.47587257
  O     15.55673975     11.31240056    -14.62594529
  H     15.14828058      7.25340772     -8.35261223
  H     19.11617967      9.17699404    -10.67563839
  O     16.15984747      8.53240960    -11.85909471
  H     16.27024908      5.52228198    -11.60457671
  H     19.76438078      8.89970717    -12.04811124
  O     11.61716986      4.85814767    -11.97818372
  H     14.88784354      5.82226223    -10.92820004
  H     16.36953005     11.68270779    -11.40644152
  O     17.71590407      8.58555630     -9.52674055
  H     13.37688365      9.86656500    -12.58113233
  H     15.62053951     11.36310211    -10.08783400
  O     14.02315007      3.30414978    -12.17120526
  H     14.49626600      8.83469569    -12.29321922
  H     14.09778198      8.25911119    -15.63026418
  O     17.54444152     10.76551940    -12.69211747
  H     17.03729510      5.42889945     -7.97174015
  H     13.60360458      8.08660552    -14.17033443
  O     19.65181540      9.57761857    -11.37498164
  H     16.39461860      5.71275058     -9.34966875
  H     13.26323060      7.53442144    -11.42669767
  O     15.57833649     11.88998377    -10.89546962
  H     15.29906643     10.17132269    -15.90026990
  H     12.63942584      6.13973925    -11.13733694
  O     13.70583607      7.62640796    -15.01490879
  H     14.94946314      9.94039139    -17.38955830
  H     12.91499814     12.45797001    -12.55825747
  O     13.29932360      6.77359266    -10.82999207
  H     15.26684082      4.81434524    -15.17936597
  H     14.20559861     11.84897964    -11.95665326
  O     13.52091068     11.72673140    -12.63954608
  H     14.99301270      6.34012883    -15.11083268
  H     16.89767148      6.89134943    -16.05527982
  O     17.37227411      7.70914402    -16.25258874
  H     16.34163220     11.26417002    -14.06582809
  H     16.68533874      8.35803596    -16.44741152
          69
 Energy    -248.03007112777527     
  O     16.66516408     10.12036014    -16.78613533
  H     16.68817914      9.44738388    -16.08874608
  H     17.16524192      6.69029422    -11.10883214
  O     14.36780747      6.03369741    -12.69135424
  H     16.00758124     10.77293777    -16.51901199
  H     19.98148898      8.88822096    -16.89606508
  O     19.38621133      7.14066034    -14.52311864
  H     14.58651960      5.91113488    -13.62701058
  H     21.03075911      7.96641698    -17.56165747
  O     13.55054705      7.35575749    -17.28341785
  H     15.19002849      5.91818086    -12.20222128
  H     17.66654332      7.79336007    -14.72227167
  O     18.54835474     10.65326927     -9.53641809
  H     19.70455636      7.73696277    -13.83120857
  H     16.18278853      7.42304373    -15.00958146
  O     15.70154559      9.40500728    -12.58991363
  H     19.80180394      7.38733364    -15.35915225
  H     14.09302545     10.97226366    -15.60545201
  O     19.12111905     11.33206416    -13.81198893
  H     12.88963220      7.09728843    -17.91921361
  H     14.06708589     12.40856411    -16.17946924
  O     18.15486927      4.81432665    -13.72896830
  H     14.34036312      7.62628821    -17.78949073
  H     17.86403643      9.12718176    -10.26678072
  O     13.08680934      8.39798639    -12.74073398
  H     19.22276758     11.02786675    -10.12219784
  H     16.86567768      8.80371576    -11.41604088
  O     17.14062246      4.33247698    -16.18107201
  H     18.06004809     11.39927171     -9.19386167
  H     13.29598159      8.75596079    -16.02169121
  O     15.06527707      6.01280210    -15.37192818
  H     14.76976955      9.16128144    -12.54729273
  H     13.12243333      9.07578733    -14.51365172
  O     16.88810414      5.78522168    -11.32417296
  H     16.06539297      8.98374737    -13.38524156
  H     20.00976614     11.66051296    -12.27611195
  O     20.24384907      7.95840695    -17.02377159
  H     18.19061112     11.60439766    -13.76188475
  H     21.26389311     12.03917761    -11.45600886
  O     16.77422895      8.15529808    -14.78992765
  H     19.16398752     10.40400335    -13.54831736
  H     20.28595856      9.59277128    -12.00919742
  O     14.63367775     11.76883517    -15.75719235
  H     17.71187754      5.06708115    -12.91203168
  H     19.05444252      8.66103242    -11.90553850
  O     17.57054745      8.42686813    -10.86547627
  H     18.70161695      5.57497047    -13.97849227
  H     17.79294737      5.70912745    -17.37584017
  O     13.24084855      9.47667980    -15.38282896
  H     13.48396068      7.50917068    -12.68794964
  H     18.74376079      6.89650334    -17.67622558
  O     20.46217291     11.52366712    -11.42598669
  H     12.31692918      8.39088825    -12.17907455
  H     15.85614283     12.01018844    -14.30882794
  O     19.80743559      8.89535742    -12.46794441
  H     17.51639072      4.42223267    -15.28631934
  H     16.15516866     11.11701849    -13.10064438
  O     17.96156293      6.43072608    -17.99263020
  H     17.21708936      3.41321543    -16.42166259
  H     19.43952770     10.89926719    -15.66643932
  O     16.46324316     11.90666850    -13.56656566
  H     15.68114352      5.37812342    -15.76022801
  H     18.45564420     10.44455702    -16.75348998
  O     19.39785077     10.47497564    -16.53075226
  H     14.49911967      6.36486975    -16.07074004
  H     16.10219694      8.89700429    -18.06238223
  O     15.80654938      8.09082214    -18.50535379
  H     16.97114775      5.28018541    -10.51798827
  H     16.54393477      7.46763851    -18.42922246
          69
 Energy    -248.02995586082591     
  O     11.43056155     10.56042402    -11.17697854
  H     12.02281146     11.04995904    -11.76046214
  H     17.53792382      7.60227375    -16.97091056
  O     13.49467991      7.46070749    -15.12864598
  H     10.80399276     10.10936455    -11.75792755
  H     14.39657398     12.12821969    -15.78346218
  O     17.89764020     10.43164797    -11.06155394
  H     13.77926851      6.97105945    -15.90948363
  H     14.82986251     13.57877939    -15.45343591
  O     17.65571687      9.31612033    -17.76414734
  H     14.23687710      8.03900392    -14.88695207
  H     15.50216512      9.45871877    -13.48921307
  O     11.87255099      9.66193796    -14.79909852
  H     18.03404664     11.08994682    -10.38555521
  H     15.99825625      9.64798852    -14.94594011
  O     13.60150370      6.10607014    -12.72503069
  H     16.95823764     10.47552132    -11.31420019
  H     11.92939851      8.74423600     -8.61401681
  O     15.29954728     10.24540440    -11.84298727
  H     17.51178355      9.97756345    -17.06549192
  H     11.97648398      9.34714669    -10.03885372
  O     14.81518951      9.08765083    -18.12961348
  H     18.33485764      9.66377605    -18.33639375
  H     11.93399959      6.49142247    -11.97525527
  O     16.01172291      4.82296350    -13.19050372
  H     12.35755962      8.83890837    -14.95958345
  H     11.46711466      7.34640340    -10.77986170
  O     17.11579244     10.96718594    -15.67811517
  H     11.10378548      9.42767279    -14.26564657
  H     18.58430761     10.18628061    -12.79066133
  O     14.72838134      6.31059650    -17.34406016
  H     14.36322792      5.52131433    -12.83725695
  H     18.61225602      9.00622509    -13.77293199
  O     17.30385974      6.75585144    -16.56704503
  H     13.47487157      6.54488441    -13.57847474
  H     17.62006258      7.23657008    -12.76736213
  O     14.91681771     12.67489195    -15.16184513
  H     14.99035450      9.42326066    -11.43361536
  H     16.82664471      7.77681199    -13.98452951
  O     15.57874612      9.01993072    -14.34637199
  H     14.53666523     10.72332767    -12.19424745
  H     17.72805204      8.49498310    -10.88106516
  O     12.24584410      8.58256506     -9.49851515
  H     15.77353873      9.19382314    -18.14863375
  H     16.50533337      7.55981354    -10.80610276
  O     11.15757732      6.91540437    -11.58557627
  H     14.66672201      8.14907314    -17.96787313
  H     13.89170977     10.37999116    -17.26102086
  O     18.74404330      9.95790017    -13.71586272
  H     16.57209059      4.20085687    -12.73090015
  H     12.77900329     10.60348898    -16.20177833
  O     17.54954548      7.18035971    -13.73388391
  H     16.58933773      5.55536620    -13.44586757
  H     14.27526647      7.20991184    -11.45045361
  O     17.44538535      7.58469094    -11.03044283
  H     17.72623629     10.77794391    -14.94751186
  H     13.86095293      8.02969127    -10.19916740
  O     13.46268849     11.05280583    -16.71237693
  H     16.49855632     11.66308984    -15.42409142
  H     13.78875735     12.01694564    -13.75674396
  O     14.60909294      7.81177161    -10.76963854
  H     15.65653782      6.38378877    -17.05858518
  H     12.78244884     10.84266951    -13.74156802
  O     13.24033332     11.48022167    -13.17247394
  H     14.65993793      5.50735619    -17.85262184
  H     10.30573159      8.13160984    -12.50495701
  O      9.90261539      8.90493529    -12.93938842
  H     17.57345772      6.80346528    -15.64318160
  H      8.96879707      8.72661015    -13.00944263
          69
 Energy    -248.02967845487899     
  O     16.68992203      7.51508183    -15.96537161
  H     17.17094575      6.81533467    -16.42596176
  H     19.52321835      4.36235012    -14.25612429
  O     20.33443077      6.18138598    -10.08239121
  H     15.89217357      7.11184013    -15.59061859
  H     17.26494669      3.11886302    -12.51489831
  O     15.67068688      9.68773242    -11.19960520
  H     21.15099116      6.14149246     -9.59244842
  H     18.27087481      4.21644870    -12.08832891
  O     14.47096637     10.08618235    -13.65992376
  H     20.05094139      7.11494613    -10.07850744
  H     15.86505294     10.43840947    -16.87111614
  O     17.95282810      5.27044212    -17.02831870
  H     15.25936519      8.86117841    -10.91656359
  H     16.40542970      9.25545227    -16.04088055
  O     12.03479128      7.81525087    -11.45164678
  H     15.22342765      9.93438871    -12.02295113
  H     17.69248635      7.50238410    -14.38829740
  O     17.84524825      5.02361854     -9.30180543
  H     15.00754187     10.16482447    -14.45620543
  H     18.17014570      8.26809844    -13.10942285
  O     14.50658517      7.22247342    -10.44074748
  H     13.77511196      9.45088470    -13.86532008
  H     11.64218857      8.18143796    -14.56788819
  O     19.63233711      5.30325113    -12.65172006
  H     18.46986444      4.82358206    -16.33362906
  H     12.26778766      7.95182997    -13.17340867
  O     16.00062307      6.64282555     -8.16754699
  H     18.38733304      5.08104892    -17.85557025
  H     16.71487362      8.40858518     -8.45100657
  O     15.95257472      5.98039178    -12.40061556
  H     11.53846636      8.29512947    -10.79339568
  H     16.57984711      9.57656318     -9.44916760
  O     19.20403790      3.91278739    -15.05002244
  H     12.87643651      7.57631815    -11.02894947
  H     16.45027820      2.82385482    -14.74656868
  O     17.47387125      3.74059573    -11.80716806
  H     17.64407388      4.44164030    -10.04466879
  H     16.79566376      1.36700444    -14.35972809
  O     16.17274059     10.19823369    -16.00034331
  H     18.71297522      5.40299457     -9.48996737
  H     18.73903956      8.90984570     -9.46220679
  O     18.06148439      7.39130901    -13.50494724
  H     14.99494707      6.73667148    -11.12259550
  H     19.23700752      9.16717496    -10.88702670
  O     12.47446445      8.05669421    -14.11906523
  H     14.91626776      7.00548795     -9.59414544
  H     18.20797638     10.54533882    -12.97327940
  O     17.10148126      9.25602438     -8.70325477
  H     19.15056682      6.07601277    -12.98584861
  H     17.34397771      9.82916330    -11.88874146
  O     17.00182844      2.27625316    -14.16008975
  H     20.01285800      5.56516817    -11.80420477
  H     13.77518439      6.82004702    -14.58895821
  O     19.46897627      8.71469935    -10.06690720
  H     15.83366909      6.32744504     -7.28359650
  H     14.96171595      6.10598258    -13.88327353
  O     18.21352008      9.83778956    -12.31645155
  H     16.66940600      6.04916467     -8.55431822
  H     15.13378635      4.65627045    -15.52390459
  O     14.54184670      6.25648055    -14.74434328
  H     16.67403147      6.55191537    -12.70046892
  H     16.36580437      4.34176599    -16.39239593
  O     15.67062267      3.92932591    -15.86563334
  H     16.35634340      5.13874678    -12.15382530
  H     17.34147372     11.22645626    -14.97359210
  O     17.91530404     11.70050536    -14.35441391
  H     18.57556520      3.24726413    -14.74491335
  H     17.53307050     12.57058668    -14.25666984
          69
 Energy    -248.02957971694184     
  O     10.62614979     12.97898254    -10.92465229
  H     10.53883050     12.18136274    -10.39691823
  H     16.55196849     10.24978873    -10.76645956
  O     13.19143983      7.68387936    -16.06043201
  H     10.61274980     12.68220644    -11.84490376
  H     15.23616684      8.07647372    -10.66551289
  O     10.70527838      8.43004485    -10.24952980
  H     13.17746334      6.89823270    -16.59938222
  H     14.39318047      7.59581777    -11.85893900
  O     13.92785565      8.40781707    -13.43725997
  H     12.26479296      7.95734584    -15.93247240
  H     14.12766078     15.99306160    -12.57224818
  O     13.89169637     10.44751196    -16.33134195
  H     11.35180331      7.82700218     -9.86088596
  H     13.62706878     15.05822165    -11.44144666
  O     11.29069628      9.19359480    -12.82886902
  H     10.74135583      9.23045768     -9.71351186
  H     13.47712946      6.99103519     -9.78163786
  O     13.30888730      9.18139236     -7.56277542
  H     14.49503540      9.17807708    -13.58042685
  H     12.77056008      5.93926040     -8.89120833
  O     13.52388825     11.04043643    -10.64001796
  H     13.75014470      8.02835214    -14.30685770
  H     17.01528471     12.23800988    -11.60806880
  O     11.40072916     10.88692959     -8.94000326
  H     14.54132555     10.59639274    -15.63345496
  H     18.31978265     11.54816979    -12.07442401
  O     16.25826226     13.63015684    -10.89698412
  H     13.76228506      9.49108861    -16.36838400
  H     11.02424983     10.91860133    -13.20735405
  O     13.58874582     12.49779306    -13.00973086
  H     11.01667137      8.87450640    -11.95829664
  H     10.96373591     11.82995507    -14.45778238
  O     15.96184752      9.71165252    -10.22368468
  H     12.21699155      8.94587284    -12.94971855
  H     14.14464688     12.27530433     -9.48439925
  O     14.66202957      7.35759246    -10.96166192
  H     13.18957724      8.32329781     -7.99126573
  H     14.93750810     12.25308070     -8.17723358
  O     14.20460675     15.10888256    -12.22594357
  H     12.58100570      9.72563410     -7.88104728
  H     14.77391625     11.39750563    -13.66535530
  O     12.80291538      6.87134482     -9.08763147
  H     13.54537463     11.53172778    -11.47133196
  H     16.19721473     10.87826345    -13.38562817
  O     17.38407812     11.40644101    -11.95728822
  H     14.29688652     10.46311273    -10.60279065
  H     11.15938797     11.90953555    -17.05453260
  O     10.96352066     11.84458873    -13.49258569
  H     12.13303763     10.92568948     -9.58337400
  H     12.27741409     11.16135552    -16.29232969
  O     14.49740031     12.85321484     -8.78962113
  H     11.44360743     11.68678196     -8.41786737
  H     14.82198950     10.03718795     -7.48013077
  O     15.41980926     10.72299872    -13.93189236
  H     15.69167957     14.21855601    -11.41015520
  H     16.13291748     10.38341911     -6.73445944
  O     11.34617595     11.44220070    -16.24473330
  H     15.77842743     13.45808634    -10.07710711
  H     11.93010698     14.11689183    -10.32742100
  O     15.64217662     10.56170287     -7.53211440
  H     12.65536821     12.37798149    -13.23234816
  H     13.22334157     14.15278378     -9.44958580
  O     12.67959065     14.66856753    -10.05691217
  H     13.75488275     13.43237251    -12.83840927
  H     10.76859799      9.61632895    -15.86305315
  O     10.73597026      8.70903737    -15.53668428
  H     16.02527024     10.01324455     -9.30864199
  H     10.75396875      8.77965070    -14.57131826
          69
 Energy    -248.02941140171603     
  O     21.21804309     11.85695245    -18.33900134
  H     21.38639230     12.79953891    -18.16120974
  H     18.50972502     17.68922893    -16.75812899
  O     15.95857359     17.19402975    -14.80668966
  H     21.93486961     11.55226373    -18.88932971
  H     14.59919133     10.30460550    -12.20560229
  O     21.53951427     16.02951278    -15.38621565
  H     15.66381655     17.24355840    -15.72439001
  H     15.43579439     10.15942060    -13.48598090
  O     15.99413104     13.19258583    -13.66567280
  H     16.92156947     17.20426089    -14.83931882
  H     18.72315637     16.49044751    -14.03004879
  O     17.56856388     10.65844389    -16.64068350
  H     22.16932057     16.66459162    -15.05319297
  H     18.59140286     15.97546437    -15.49157153
  O     16.68316575      9.12253789    -14.38137537
  H     20.66044387     16.40844668    -15.23219584
  H     19.24653642     13.14639606    -13.37623433
  O     21.57332074     14.51849822    -17.91367747
  H     15.65141481     13.99455384    -13.25210485
  H     17.72369440     12.98749649    -13.06803289
  O     19.21324511     15.51374576    -18.94140512
  H     15.50287772     12.42339765    -13.34222159
  H     19.55441090     10.31086088    -14.17820758
  O     15.36640286     15.71510368    -12.62959162
  H     18.47812579     10.79359599    -16.33643759
  H     18.86921456     11.04571562    -13.00537423
  O     20.32550185     13.54359282    -14.77104217
  H     17.15754363     10.06939058    -15.99827577
  H     15.48864025     14.11506751    -17.73025536
  O     18.46063513     11.77504069    -19.10398675
  H     17.50406491      9.45401195    -13.97134949
  H     15.98795800     14.48946782    -19.14186466
  O     18.23119405     17.75213240    -17.67748253
  H     16.74630182      8.17091055    -14.39442889
  H     15.38285725     16.40305943    -17.88912027
  O     14.87883786     10.77596263    -12.98694737
  H     20.83205253     14.92464463    -18.38814020
  H     14.73696347     17.80346644    -18.01809220
  O     18.82995724     16.75248944    -14.95870899
  H     21.67406033     15.02686995    -17.10295765
  H     17.30219373     15.81170649    -12.34818554
  O     18.61038680     12.91025045    -12.68461237
  H     18.56890070     15.10246513    -19.52942323
  H     18.48472836     14.83568367    -12.34334827
  O     18.97018622     10.17887562    -13.42064283
  H     18.86990793     16.36966727    -18.64309169
  H     20.65895439     11.12266632    -16.69532477
  O     15.39862024     14.77357064    -18.43329072
  H     14.72398707     16.15438544    -12.07942068
  H     20.36488385     11.87315718    -15.39262897
  O     15.42378646     17.32127248    -17.56587610
  H     15.47934307     16.26610682    -13.42581779
  H     18.66483584     14.74562220    -17.34707385
  O     18.26010572     15.76756136    -12.45437629
  H     19.63312887     13.79551844    -15.40534650
  H     17.57322358     14.01966109    -16.48798159
  O     20.24364297     11.01705102    -15.83075758
  H     20.96087846     14.26532102    -14.79299056
  H     17.21135059     13.71984847    -21.24241407
  O     18.41326392     14.49211123    -16.45072412
  H     19.40668523     11.79980540    -18.91414579
  H     17.72234746     13.11605059    -19.91275801
  O     17.34944359     13.91912852    -20.32040168
  H     18.05399119     11.29405937    -18.37326774
  H     15.96316711     13.10660122    -15.44729764
  O     16.08734345     13.00859758    -16.40244664
  H     17.26597193     17.69407818    -17.66821262
  H     16.52792529     12.15973068    -16.54100156
          69
 Energy    -248.02927530390525     
  O     12.13112533      4.91343440    -14.13121751
  H     12.81250555      4.24948785    -14.29151945
  H     14.93710928      6.13501298    -14.88442073
  O     17.30861173      6.00853579    -12.69020338
  H     12.47299418      5.73745645    -14.50462657
  H     18.09541541     10.26955914    -14.45642018
  O     16.62770543      9.81983514     -9.94784906
  H     16.81751012      5.79493032    -13.49642925
  H     17.08457844      9.91448340    -13.35523139
  O     19.06737408      8.99215692    -15.50728226
  H     18.19236231      6.31390800    -12.93824952
  H     15.83160049     10.98665770    -14.73025978
  O     14.41155182      3.14926940    -14.22279294
  H     15.92480512      9.45259064     -9.39149162
  H     14.37897143     11.22742737    -14.27979248
  O     14.79784961      8.36132772     -8.48535557
  H     16.57010118      9.36379676    -10.80148205
  H     16.70184848      7.70214420    -12.50040079
  O     15.79788411      5.39489115    -10.48432963
  H     19.63034935      9.17393791    -16.25500622
  H     15.41040984      8.58173286    -12.55740033
  O     13.60458387      8.65085101    -12.63301703
  H     18.29899868      8.49868789    -15.85014724
  H     10.80155677      4.65305852    -11.26200954
  O     19.67013175      7.25664971    -13.36577397
  H     14.37115964      3.17999628    -13.24972765
  H     11.77731098      4.95835935    -12.42296893
  O     16.93983381      6.41480702     -8.12138462
  H     14.48525240      2.23059053    -14.46598570
  H     19.32942622      9.00545352     -8.36010931
  O     14.47653049      9.05786381    -16.83168978
  H     14.17836592      7.92404823     -9.08438332
  H     18.03592158      9.01594405     -9.19191412
  O     15.70568196      5.54552187    -14.89388327
  H     15.41948192      7.67671419     -8.21014442
  H     13.27224825      3.80316275    -11.38894807
  O     17.44306126     10.65960793    -13.86510232
  H     16.40325707      5.56795054    -11.22041210
  H     14.77408659      3.98500008    -11.09851124
  O     14.92023934     11.02938431    -15.05137543
  H     16.24165845      5.65836141     -9.66964297
  H     16.76548676     11.74873500    -12.39808310
  O     16.36459179      8.60071502    -12.40663794
  H     13.49311969      9.59472120    -12.46415138
  H     16.39416536     11.39207998    -10.94067094
  O     11.69396484      4.92856374    -11.45267832
  H     13.45776357      8.14680945    -11.81976867
  H     13.69952325      7.82127369    -15.68028762
  O     18.68592731      8.43118729     -8.76726557
  H     20.17502569      7.74270009    -12.71654565
  H     13.46126295      7.75253112    -14.14715543
  O     14.13749438      3.40210515    -11.53463623
  H     19.52421456      7.86845323    -14.10207323
  H     12.74982983      6.28289212    -10.74272768
  O     16.19054209     12.00118187    -11.66422276
  H     17.62514216      7.07320230     -8.32635266
  H     14.27824212      6.40831198    -10.53456963
  O     13.47611626      7.22211414    -14.95831097
  H     17.21613672      5.96873137     -7.32482504
  H     13.05156018     12.13652288    -12.21821100
  O     13.44789690      6.90764801    -10.50963332
  H     14.60846281      9.80173403    -16.21570841
  H     14.53194050     11.69846266    -12.13977847
  O     13.65458918     11.44548802    -12.47831115
  H     14.13962496      9.42688685    -17.64332570
  H     16.11194255      8.12511201    -16.61906753
  O     16.91021166      7.63570503    -16.38523358
  H     15.35961894      4.65382131    -14.76343744
  H     16.61026669      6.82005892    -15.96516215
          69
 Ord_Energy   -248.029190    
 O   -3.02324867      -2.15288925      0.325650394    
 H   -2.12893248      -1.89783013      0.594550073    
 H   -3.59932971      -1.43617868      0.634020209    
 O  -0.651899278     -0.912063241      0.850919068    
 H  -0.926893830      -5.82678989E-02   1.21101522    
 H  -0.286528498     -0.725132883      -2.21863799E-02
 O   -7.78667974       2.47808242      -1.03047740    
 H   -7.59351730       3.42367959      -1.07775378    
 H   -7.99999380       2.18638587      -1.92625833    
 O   -6.08680677       1.38531411       2.90713120    
 H   -6.82552481       1.18078887       2.30706811    
 H   -6.42674255       1.30486822       3.79441047    
 O   -2.52992082      -1.52310967      -2.36466312    
 H   -2.67482758      -1.71119821      -1.42661119    
 H   -3.17183709      -2.06339741      -2.84665990    
 O   -4.65987730      -9.17885229E-02   1.01149642    
 H   -4.64717722      0.641488373      0.377899706    
 H   -5.03174925      0.271929324       1.82304144    
 O   -6.38393831       3.93057275      -3.87057137    
 H   -6.92109776       3.13336682      -3.94913411    
 H   -5.49420691       3.69203925      -4.16039848    
 O   -8.49416777E-02 -0.354497999      -1.92682660    
 H  -0.896496475     -0.814540505      -2.19937706    
 H   0.606457114     -0.645885825      -2.51557779    
 O   -7.99698639      0.671736538       1.07975805    
 H   -8.05957890       1.35047877      0.392639875    
 H   -7.79238033     -0.147636905      0.614864707    
 O   -4.71635294      -2.92368317      -3.29569793    
 H   -5.40949678      -2.26315427      -3.40879440    
 H   -4.89527416      -3.34796858      -2.44626808    
 O   -5.05805826      -3.77904534     -0.568630099    
 H   -4.28666401      -3.31028843     -0.205937967    
 H   -5.05459499      -4.65074205     -0.181407556    
 O   -1.40859103       1.72599733       1.68814909    
 H   -2.27389193       2.12696433       1.87739563    
 H  -0.780297577       2.18736792       2.23981237    
 O   -4.40896130       4.51621389     -0.111993901    
 H   -3.73574591       4.56509304     -0.811837912    
 H   -5.23322344       4.84687042     -0.486756474    
 O   -3.78314018       3.05445170      -4.53302097    
 H   -3.29801774       2.94530821      -5.34690475    
 H   -3.79837990       2.18611097      -4.09541559    
 O   -6.85154533       5.09995842      -1.47494531    
 H   -6.64233732       4.76343679      -2.36597228    
 H   -7.27106285       5.94813299      -1.59179592    
 O   -8.02781296       1.56782329      -3.69375753    
 H   -7.51381302      0.754819274      -3.55170727    
 H   -8.77319145       1.32994819      -4.23929548    
 O   -1.20711410       2.15964985      -1.12566042    
 H   -1.26497555       2.04277897     -0.169515505    
 H  -0.765268505       1.37345207      -1.46358395    
 O   -3.98778963      0.752984941      -3.07350135    
 H   -3.38505578       3.78358215E-02  -2.83687162    
 H   -4.24631357       1.20313799      -2.25325441    
 O   -6.44648838     -0.573025048      -3.08108759    
 H   -6.57659864     -0.838895321      -2.15922332    
 H   -5.58861876     -0.126031369      -3.13536453    
 O   -6.65686798      -1.42112064     -0.410590023    
 H   -6.32253122      -2.32529783     -0.443391889    
 H   -5.99670124     -0.927270830       9.86563936E-02
 O   -5.02470398       1.89843905     -0.832306087    
 H   -5.98210096       1.99423552     -0.907397509    
 H   -4.68249369       2.76507783     -0.577866793    
 O   -2.64565492       4.26324368      -2.14677143    
 H   -2.07065678       3.54829216      -1.82927346    
 H   -2.97942543       3.97824621      -3.00276923    
 O   -3.78037763       2.99528956       2.15820456    
 H   -4.60284901       2.57811046       2.43626189    
 H   -4.00857639       3.64298892       1.47682869    
          69
 Energy    -248.02898478473895     
  O     21.17509840     11.46040859    -18.15835831
  H     21.51533340     12.31230573    -17.83110772
  H     19.59397323     11.93885363    -19.21268532
  O     15.90897050     17.41997458    -14.24649141
  H     21.89185299     11.03889286    -18.62461181
  H     20.40792409     19.10591489    -16.70118090
  O     22.07864553     14.50872413    -14.38180933
  H     15.38487195     18.19443901    -14.05992981
  H     20.25185420     17.91356050    -15.72605701
  O     14.43713154     13.09820486    -15.13222842
  H     16.28623099     17.54997372    -15.13541508
  H     21.22855381     16.23930390    -14.33682833
  O     16.92409428     11.59086567    -17.52281965
  H     22.78383914     14.27411974    -13.78300902
  H     19.92977137     16.86302721    -13.77547467
  O     18.34086227     11.96326497    -12.11232747
  H     21.38326894     13.83814769    -14.27045020
  H     17.67226704     10.71686828    -13.44314355
  O     15.19809574     10.35805344    -15.63861277
  H     14.95271966     13.52415693    -15.83230801
  H     18.18030716     10.22339514    -14.81331568
  O     21.99588144     13.85192555    -17.18569925
  H     14.58627057     12.15295896    -15.24000810
  H     17.10235944     15.80724484    -19.31944831
  O     19.98403995     15.70623765    -17.61735185
  H     16.26619957     11.08249539    -17.03424877
  H     15.74453947     16.49955141    -19.59283712
  O     15.08925733     14.87609765    -13.16195461
  H     16.67122521     12.52060962    -17.42278235
  H     17.45758915     16.79907936    -13.47262590
  O     20.02918255     12.69482751    -14.22486787
  H     18.56119206     11.54150978    -11.28460211
  H     17.96268451     15.66238105    -12.54911166
  O     18.75871710     12.20034464    -19.61620034
  H     17.85988145     12.77683391    -11.89201046
  H     16.87837055     17.33198594    -17.44195751
  O     19.92433467     18.29677856    -16.56003456
  H     14.68788070      9.55283191    -15.62016622
  H     18.03808231     18.01516520    -16.66356009
  O     20.72872014     17.06247913    -14.28255819
  H     15.95869324     10.22192845    -15.04682838
  H     16.30602522     14.47115975    -12.08433477
  O     17.47588187     10.10570353    -14.16166061
  H     22.19365621     14.06560580    -16.26788538
  H     16.78970609     14.61860780    -10.62124969
  O     16.34931853     16.26056047    -18.89627772
  H     21.36796358     14.53155470    -17.47022603
  H     19.98346764     10.97917384    -16.84680101
  O     18.24979698     16.31637311    -13.19636139
  H     19.44193236     15.32925137    -16.90909494
  H     18.46384069     11.19832041    -16.65337453
  O     17.09915571     17.79864681    -16.62645347
  H     20.06785057     16.64469303    -17.41278344
  H     18.37089271     15.30317433    -14.76660361
  O     17.06644046     14.32982720    -11.48691252
  H     14.78677144     14.22598403    -13.81422624
  H     18.97747745     13.93110759    -15.11515903
  O     19.27640887     10.94555833    -16.18979357
  H     15.22695791     15.70742134    -13.62882121
  H     19.10897520     15.24546323    -19.16629018
  O     18.47807877     14.66861240    -15.48559901
  H     19.84887579     12.04210087    -14.91816018
  H     18.55297734     13.99886041    -19.88468163
  O     18.48634259     14.96329234    -19.85027377
  H     19.51420710     12.44233089    -13.44906851
  H     16.97335375     14.40395922    -16.43097930
  O     16.20410808     14.20264299    -16.98401676
  H     18.06775028     11.88187137    -19.02143415
  H     16.14974237     14.88894088    -17.65810180
          69
 Energy    -248.02894913959673     
  O      2.21734763     -0.34929466      4.21486805
  H      1.65467330     -0.70983942      3.51573661
  H      0.26650840      0.91375574     -0.32675808
  O      2.09880173      2.44243106      7.41100509
  H      1.96848863      0.57666688      4.33841741
  H     -3.25765696      3.34642949      2.88105892
  O     -1.19734664     -4.14174160      6.86526777
  H      1.21156060      2.57972314      7.76429700
  H     -2.66638745      1.93169764      2.67012831
  O     -2.17977462     -1.92910830      8.50540102
  H      2.49249480      1.75992067      7.96667502
  H     -1.94315116      2.28581649      4.82055051
  O      2.95487353     -4.57126359      4.75370809
  H     -0.24207824     -4.14651049      7.02673181
  H     -1.75701605      1.00565583      5.69249577
  O      0.42074884     -1.38848991      2.35640313
  H     -1.56563723     -3.47722800      7.45591042
  H     -1.84845812      0.46870791      1.21132061
  O      0.89406160     -4.06433404      3.08850519
  H     -1.41962711     -1.37019216      8.73434851
  H     -2.61535970     -0.38268116      2.24838997
  O      4.14743275     -2.02630895      5.42323446
  H     -2.68241758     -2.04887556      9.30735352
  H     -1.17663276      3.17278821      8.57356759
  O      2.71344366      0.30844810      9.27543948
  H      2.24747779     -4.41243524      4.10380003
  H     -1.04264517      2.36227113      7.26347621
  O      3.49883435     -2.23624635      8.11748525
  H      3.42882075     -5.34537119      4.46251204
  H     -0.72135086      2.93560199      2.54938611
  O     -2.16750540     -1.80543966      3.38257500
  H      0.34339533     -0.74680745      1.63969309
  H      0.70037821      2.66443633      3.07811183
  O     -0.05538762      0.68547672      0.54079719
  H     -0.46661020     -1.49689819      2.72606376
  H      0.96075447     -2.17336904      6.51199514
  O     -2.56220429      2.76191389      3.16993869
  H      0.01962780     -4.26828754      3.44118909
  H      1.25870069     -0.93481593      5.61811811
  O     -1.51215525      1.93896680      5.61185360
  H      0.83254740     -3.17621089      2.71371460
  H     -2.20073359     -5.26338050      4.10619349
  O     -2.64043117      0.45269239      1.76333454
  H      3.61164903     -1.38172350      4.94273043
  H     -1.55375978     -4.34760223      5.17015540
  O     -0.70079788      2.45168262      8.16963409
  H      3.85192259     -2.89188735      5.11560369
  H      0.32120364     -0.53409309      7.88130110
  O      0.18516898      2.76550943      2.26666072
  H      2.95219148      0.41609609     10.19389221
  H     -0.28486788      0.70019563      8.61877651
  O      0.66362066     -1.28043325      6.29466208
  H      1.77357084      0.06956075      9.25888709
  H      2.01769396     -4.19056294      6.30881783
  O     -1.71295728     -4.45111410      4.21499918
  H      3.35718198     -1.36194525      8.49191453
  H      2.21735784     -3.34860165      7.59408023
  O      0.01313071     -0.21093209      8.74481919
  H      3.84225386     -2.09615426      7.22045115
  H      0.28720495      2.04839637      5.05343358
  O      1.55046934     -3.81874894      7.06846445
  H     -2.11954712     -2.75597557      3.54478223
  H      1.68239534      2.33779251      5.64530220
  O      1.21551234      2.16877269      4.81408477
  H     -2.21702810     -1.39654756      4.25846991
  H     -1.03179725     -0.99018714      5.94608342
  O     -1.97638686     -0.75895531      5.92519037
  H      0.11115710      1.45413345      1.11591188
  H     -2.34101813     -1.12077225      6.73944805
          69
 Energy    -248.02892682495309     
  O     18.22186240     17.77694620    -14.42656813
  H     17.86043284     17.91128514    -15.31210741
  H     14.55061725     11.70702436    -13.99593295
  O     22.09250821     12.01463431    -15.64795043
  H     19.17478280     17.94739520    -14.46687923
  H     22.28149100     15.05210705    -15.64922122
  O     15.72322135     14.56392302    -13.80418470
  H     22.80657565     11.39696733    -15.51869559
  H     22.24805549     14.87207579    -14.11268507
  O     16.38203224     13.01065262    -18.02508712
  H     22.41385727     12.88885980    -15.35851164
  H     18.25776371     12.51952464    -13.29045002
  O     15.84977075     10.45610155    -13.31619484
  H     15.88226795     15.37220196    -13.30243587
  H     16.94224373     11.87718465    -12.78423248
  O     14.23095913     11.48559025    -17.06937767
  H     16.34956886     13.90957095    -13.46050694
  H     15.65588815     10.35756685    -16.41853570
  O     20.70938189     13.09589671    -17.90475362
  H     17.10364356     12.50917123    -17.61623876
  H     17.19357242     10.38911168    -16.32922476
  O     16.67513410     16.84064572    -12.41886409
  H     15.57445105     12.51176553    -17.85119149
  H     16.40751973     18.29580055    -17.42468084
  O     19.57876601     12.54571374    -14.46175222
  H     16.10098580     10.22264978    -14.22786552
  H     16.75388970     16.89136674    -16.87372038
  O     18.52162317     14.35789285    -19.41554246
  H     15.66123176      9.63765405    -12.86477289
  H     21.86589955     15.84732735    -11.85762021
  O     21.04457143     15.79804877    -16.85349622
  H     14.10084430     11.85193655    -16.17617134
  H     20.47547935     15.42589295    -12.37190998
  O     14.07979126     12.37817293    -14.50603111
  H     13.37291376     11.21694182    -17.38609159
  H     21.14802172     17.28671870    -15.44870529
  O     22.65144267     14.53352357    -14.92187590
  H     21.26376003     12.60404873    -17.28473927
  H     21.16820770     17.10322430    -13.91685982
  O     17.48481382     12.67288961    -12.72520113
  H     20.86903997     14.02408113    -17.69226935
  H     18.12062270     15.68055280    -11.89841013
  O     16.40754684      9.98761204    -15.93845049
  H     16.31051866     17.53864077    -11.88132266
  H     18.41440505     14.17565547    -11.98001561
  O     17.10252113     17.78982594    -17.01082477
  H     17.20306195     17.26716265    -13.11749146
  H     19.22061299     12.04267314    -17.39451134
  O     21.36448853     15.69814701    -12.65619238
  H     19.43858777     13.47545426    -14.70282261
  H     18.74502467     11.87966794    -15.95607512
  O     20.93210960     17.72490018    -14.61859517
  H     20.46405973     12.29792318    -14.75302631
  H     18.08800558     15.01971863    -15.79916335
  O     18.83391841     15.03402107    -11.84286942
  H     17.71795942     13.91530305    -19.11812915
  H     18.79534992     15.91033131    -14.77302167
  O     18.50781277     11.66033618    -16.86757813
  H     19.25544599     13.80575573    -19.12354083
  H     18.62072790     17.31316414    -18.16120903
  O     18.89674660     15.09430693    -15.27588311
  H     20.61671234     16.28971161    -17.57139138
  H     19.00080928     16.09046218    -19.02491488
  O     19.34911135     16.91289945    -18.64767696
  H     20.31794157     15.50740511    -16.27944162
  H     16.28206121     14.47700964    -17.01546959
  O     16.35826620     15.23588275    -16.42158152
  H     14.47474682     13.22141942    -14.25026496
  H     16.03444752     14.98197582    -15.54607719
          69
 Energy    -248.02890024420486     
  O     16.38618393     12.09431919    -15.87219527
  H     16.37268692     13.03803238    -16.00918227
  H     18.95820235      5.41758313    -12.53783925
  O     15.77634219      6.15625650    -13.78668842
  H     15.46296253     11.82217856    -15.72143998
  H     19.65162057      8.83837102    -19.17962838
  O     18.51859800      8.83049098    -11.90231122
  H     16.33021172      6.05139794    -13.00255159
  H     18.62629791      9.39296592    -18.17788252
  O     15.36962193      5.68381630    -18.21547830
  H     16.21438216      6.82772053    -14.33412870
  H     17.89551565      7.85722431    -15.55932265
  O     14.60046820     10.23803351     -9.92263663
  H     19.34446254      8.58680453    -12.33897795
  H     16.44419268      8.17082869    -16.07272194
  O     13.58081751      7.78287377    -13.36132921
  H     18.07488990      9.45153470    -12.49706558
  H     14.00668738     11.02563414    -14.29582082
  O     17.16354349     10.34621783    -13.79456125
  H     15.10993311      5.00552033    -18.83222354
  H     13.46283451     10.43848713    -15.60289755
  O     19.30712416      4.66562090    -15.71906055
  H     15.74438823      5.22015094    -17.44703285
  H     15.10688619      6.74168770     -9.76053540
  O     13.72921317      7.54993233    -10.47800385
  H     14.38473428     10.84670663     -9.22177189
  H     15.69341154      5.84508135     -8.64330652
  O     19.63048873      7.45062633    -15.93522423
  H     15.49458797      9.89768612     -9.73818599
  H     13.03811748      8.25402259    -15.01699737
  O     16.45283215      4.52248473    -15.99375404
  H     14.30332313      7.15055937    -13.49411332
  H     11.97848248      8.34402148    -16.13560067
  O     19.72459748      5.26452918    -13.10719138
  H     13.97318179      8.63902248    -13.13060827
  H     21.59050211      8.28880777    -13.54770947
  O     19.42259150      8.83938071    -18.25444853
  H     17.09979893      9.53112676    -14.31956166
  H     20.35529228      7.85200994    -14.36793164
  O     16.99784944      8.08236076    -15.28481686
  H     17.06501105     11.06828140    -14.42607019
  H     17.03104334      6.14852038    -10.81942430
  O     13.88652388     11.22221754    -15.23597308
  H     19.83834548      3.91697599    -15.97771992
  H     17.82831087      7.12025834    -11.73162478
  O     15.93622370      6.41584299     -9.36698780
  H     19.44538396      4.78988159    -14.76240133
  H     16.77012460      8.15961786     -9.34004194
  O     12.86408268      8.61218544    -15.90315025
  H     13.86069407      8.48194113    -10.26222878
  H     17.63620788      9.06098851    -10.25100598
  O     20.70318925      7.94878516    -13.46432523
  H     13.52110867      7.51765567    -11.41894424
  H     16.39299936      9.63027453    -17.93140008
  O     17.53549182      6.20194726    -11.64029031
  H     19.55435260      6.49580135    -16.05857465
  H     16.93097644     10.93411676    -17.31027208
  O     17.01230582      9.07799801     -9.51349032
  H     19.63843332      7.89274371    -16.79815329
  H     15.54076128     10.32643146    -12.98877955
  O     17.11442945     10.27274198    -17.98659129
  H     17.41467957      4.52667326    -15.92455666
  H     14.59293358     10.39224757    -11.74932375
  O     14.61546917     10.28596568    -12.70762643
  H     16.12554232      4.94103568    -15.18691523
  H     14.38831959      8.39075540    -16.96924681
  O     15.23767443      8.28469909    -17.41338273
  H     20.20498697      6.10105826    -13.11822330
  H     15.26456982      7.38794520    -17.78159578
          69
 Energy    -248.02883099740731     
  O     18.01453880      9.25017485    -11.47842958
  H     18.14700642      8.68868259    -10.70065036
  H     12.22247496      9.95474094    -13.37820157
  O     11.73775653      7.25146188    -11.74608654
  H     17.05660983      9.31169361    -11.62048223
  H     16.69945273      4.09126277     -7.55669969
  O     12.04874081      6.98775539    -14.56386580
  H     11.75020692      7.10166721    -12.70085745
  H     16.08822280      5.18608659     -8.44396920
  O     18.06927804      7.21875322    -13.41853533
  H     11.62844830      8.20316885    -11.62654007
  H     13.40859870      6.90208070    -11.25371633
  O     18.26980836      7.59310467     -9.26522040
  H     11.51865203      6.50331308    -15.19094944
  H     14.70826974      7.73533747    -11.44264286
  O     17.65865652     10.04396172     -8.01712285
  H     12.97124597      6.70973012    -14.70498385
  H     18.72945621      4.98009641    -11.07139092
  O     15.58817430      6.89823107     -8.67330230
  H     18.11947268      7.95194954    -12.78892146
  H     19.11506648      6.16508375    -11.97513183
  O     14.64391406      6.30018991    -14.93166262
  H     17.36910477      6.61772621    -13.12013391
  H     15.67917620     12.78850556    -11.65997601
  O     15.65498301     12.87525750    -13.47492410
  H     18.71319897      6.91410539     -9.79411970
  H     16.61748402     12.41220946    -10.49427245
  O     16.68563249      8.21599966    -15.58791869
  H     17.37733045      7.27393686     -9.07608874
  H     15.22393225      9.68402519    -12.79670452
  O     15.16194815     10.34182538    -14.48240025
  H     17.93907068     10.71260678     -8.65349114
  H     14.86073484      9.88326312    -11.28370940
  O     12.52338230      9.76643953    -14.27553981
  H     18.04070013      9.20889432     -8.32090689
  H     19.17553463     12.14004343    -10.48950138
  O     16.45367217      4.28728780     -8.45760365
  H     15.32379943      7.72290760     -8.25059669
  H     18.32909392     10.88101385    -10.78107528
  O     14.36427205      6.89397270    -11.10592242
  H     15.10113407      6.84785920     -9.51073186
  H     14.20700554     10.33858420     -9.18972325
  O     19.26588615      5.78228611    -11.10440894
  H     15.10292868      5.84987125    -14.21014665
  H     14.47759418     11.52085927    -10.18056316
  O     15.70265945     12.63048372    -10.70469723
  H     15.27133103      6.94562155    -15.27593153
  H     16.45869078      4.71618799    -12.14899332
  O     15.33010007      9.31680233    -11.90994121
  H     15.51825483     12.01144891    -13.89453447
  H     15.41858797      5.86885753    -12.08704771
  O     18.37300054     11.68798880    -10.24117907
  H     15.32537379     13.52032963    -14.09604235
  H     15.96385825      9.77072200     -7.77803965
  O     13.90318222     10.75629111    -10.00403782
  H     17.25457750      7.88516099    -14.87257457
  H     14.75184273      9.74028262     -6.81719695
  O     16.05484032      5.42185026    -12.66632922
  H     17.21186841      8.19934257    -16.38371399
  H     12.44161884     10.37606563    -10.96021369
  O     15.02571115      9.51683809     -7.70332904
  H     14.21115918     10.14959540    -14.53784544
  H     10.96541673     10.67634869    -11.28803667
  O     11.70244023     10.12356652    -11.53736871
  H     15.64990340      9.65966582    -14.95715978
  H     17.04068561      3.81109499    -10.04878922
  O     17.38265092      3.62744859    -10.94071422
  H     12.29942594      8.84222646    -14.44370667
  H     17.50586060      2.68362609    -11.00014044
          69
 Energy    -248.02867101531314     
  O     17.11954153      7.46053489    -12.37504162
  H     17.61044817      8.20973837    -12.01336611
  H     14.42158434     10.02269199    -17.85185022
  O     16.33081522     11.62273250    -12.01905211
  H     16.40257401      7.25434121    -11.76122674
  H     16.22887266      8.17335979    -13.78079677
  O     17.21731569      9.91438720    -16.35940879
  H     16.07284070     11.89627813    -11.13030535
  H     16.27431043      8.97879438    -15.12500706
  O     15.34468337      4.60270674    -14.91557660
  H     15.53302145     11.28583122    -12.45029891
  H     12.61992145      6.94731295    -14.36280328
  O     13.66636766     10.03017030     -9.24250833
  H     17.38621802     10.65716300    -15.76032689
  H     11.14673226      6.77681153    -13.92798454
  O     14.91513621      7.00829289    -10.77297661
  H     16.54182573     10.20158471    -16.98467748
  H     17.84973778      9.75699505     -9.68728537
  O     14.18447740     10.63973062    -13.47554353
  H     14.93643160      4.69856363    -14.03629528
  H     16.84570053     10.66329612     -8.94703184
  O     15.44822822      8.01679406     -8.22673257
  H     15.39862787      3.66635336    -15.08877497
  H     14.39443686      5.58360212    -11.86047096
  O     19.27499255      8.26643004    -15.39383509
  H     13.29412717      9.65700510    -10.05173494
  H     13.21701796      5.54898219    -12.83884401
  O     17.94459506      5.95392005    -14.55760290
  H     14.13510286      9.30935318     -8.80337349
  H     18.56912105     11.49508064    -14.25596514
  O     19.97759264     10.28671136    -13.74827675
  H     15.10414674      7.22594439     -9.85211248
  H     17.24778472     11.92399767    -13.60064878
  O     15.00358403     10.80102159    -17.85895039
  H     14.28630941      7.66972591    -11.09533613
  H     17.63505465     10.41309002    -11.68444782
  O     15.68698782      8.58951542    -14.46409994
  H     14.25243344     11.33818739    -14.14089685
  H     19.02573550      9.94095531    -12.17459485
  O     12.02937642      6.91403701    -13.59241260
  H     14.69140096      9.88982819    -13.82642262
  H     15.25510706     12.75912506     -8.84901848
  O     17.34621409      9.84168977     -8.86705165
  H     15.60117165      7.65472237     -7.35853497
  H     14.79498307     11.36030662     -9.32721182
  O     14.01053731      5.06575629    -12.58062674
  H     16.18999736      8.61942984     -8.41684358
  H     12.85816841      8.10452921    -18.42268936
  O     17.71008104     11.89276717    -14.45029876
  H     18.88899570      7.40548611    -15.18004272
  H     13.58496896      7.92178432    -17.08232424
  O     18.35166424      9.78646933    -11.50155678
  H     18.62211822      8.73334150    -15.93120876
  H     13.33938443      9.55622132    -12.31743008
  O     15.52076680     12.00880703     -9.37347199
  H     17.75835072      6.36189881    -13.69895797
  H     12.55434664      8.22272707    -12.31131417
  O     13.44432394      8.54480075    -17.81192223
  H     17.13953208      5.48024978    -14.78767979
  H     15.89073045     12.46743840    -15.24851946
  O     13.01978236      8.84592624    -11.74100797
  H     19.78388219      9.51548559    -14.31252357
  H     14.90650590     11.93206661    -16.30521331
  O     14.95340067     12.40080446    -15.46229187
  H     20.91365670     10.45109018    -13.82278497
  H     14.35961912      6.04041225    -15.56805121
  O     13.92412022      6.90026962    -15.62744391
  H     14.96714236     11.16355441    -18.74075074
  H     14.53859165      7.52945401    -15.21428044
          69
 Energy    -248.02866073114177     
  O     11.72824202     11.76187968    -12.12810227
  H     12.46559461     12.03156302    -12.68755199
  H     14.71430949      5.50933174    -16.43455014
  O     13.20637201      7.63619071    -14.76405206
  H     11.08728400     11.34143636    -12.71686662
  H     16.90572812      4.30510473    -15.91232950
  O     17.77177624     10.20166992    -10.88635270
  H     13.05385611      7.20339884    -13.91435753
  H     16.79594077      5.84322498    -15.98283458
  O     17.39782512      7.30159169    -16.78030836
  H     13.35086580      6.96991571    -15.45182994
  H     16.80167126     11.15102497    -15.53678959
  O     12.34345598     10.13198300    -15.36824064
  H     17.48961764      9.52581251    -10.25893984
  H     16.72539365     12.58447379    -16.10289327
  O     16.56377428      7.94223833     -9.55892897
  H     16.95795040     10.49011157    -11.32475187
  H     16.09810551      7.66513590    -13.35364697
  O     13.12279436      6.65195148    -12.17069862
  H     17.66870369      8.11065624    -16.33317983
  H     14.87381813      8.06826823    -14.24843569
  O     15.32864585     10.47445528    -12.19703246
  H     16.70133054      7.55877615    -17.39995137
  H     11.74346090     10.72052796    -10.72092177
  O     15.17976946      7.98251511    -18.40640698
  H     11.46512155     10.20141308    -14.97791093
  H     11.22528673     10.45360755     -9.28779962
  O     15.37830407      5.25602750    -12.96292837
  H     12.64833841      9.23173266    -15.16890239
  H     18.11699904      7.49609953    -12.37343003
  O     17.73050260      9.65331329    -15.14182948
  H     15.64586053      8.17758579     -9.77709378
  H     17.17655151      7.21900527    -11.17663408
  O     13.94362638      5.97107202    -16.78869057
  H     16.54554682      7.53260996     -8.69790873
  H     10.96078582      8.72782213    -11.22025705
  O     16.37104623      5.04256449    -15.62853969
  H     13.84371520      6.04258806    -12.39196069
  H     11.40828782      7.52266770    -12.06940423
  O     16.19227512     11.87807423    -15.74538064
  H     13.49620469      7.31732978    -11.57793458
  H     20.18901542      9.05193152    -12.62273263
  O     15.71697903      8.37057904    -13.88869962
  H     14.81417115     11.11450831    -12.70215009
  H     18.79784988      9.51573836    -12.12971625
  O     11.68775567     10.04921522    -10.01667237
  H     15.50000306      9.73880535    -12.80559162
  H     14.97864005     10.89285848    -16.86724344
  O     17.41117607      6.91673140    -12.06412963
  H     14.86776866      8.82716766    -18.03605360
  H     13.55869738     10.29872566    -16.76477835
  O     10.71799815      8.19168866    -11.98557253
  H     15.11075685      8.05917299    -19.35438435
  H     14.49788732      9.38950953    -11.06262623
  O     19.25843442      9.01703620    -12.82850302
  H     16.16612767      5.62077705    -12.53791166
  H     13.27914451      9.12970450    -10.15248043
  O     14.35172362     10.31569347    -17.31715389
  H     15.63545661      5.11075050    -13.88209199
  H     14.67570943     12.12601918    -14.56318594
  O     14.10294149      8.73583837    -10.46461110
  H     16.95079070      9.18347346    -14.79890760
  H     13.34495960     11.35263166    -14.48302376
  O     13.89700489     11.99446997    -14.00936763
  H     18.40415687      9.53679117    -14.46147437
  H      9.09984606     10.11336254    -13.93504488
  O     10.03744238     10.14114852    -13.76534747
  H     14.29189050      6.61019784    -17.42413187
  H     10.24223346      9.37774104    -13.19589611
          69
 Energy    -248.02865298870913     
  O     15.99355751      9.99769945    -16.82976294
  H     15.15125171     10.28055607    -16.46019596
  H     17.29669962      5.44518902    -12.12038668
  O     16.00137913      5.00881085    -13.21596553
  H     16.63910213     10.71342569    -16.71585877
  H     19.97017958      9.28106030    -17.07022629
  O     19.62303341      8.90053337    -14.20900394
  H     15.10325726      5.35743956    -13.19787901
  H     21.06899493     10.36964196    -17.10964731
  O     14.83418876      6.12304919    -17.53485380
  H     16.30268683      5.10124715    -14.13006356
  H     16.42505564      8.25973971    -14.18285595
  O     15.69478899     10.87929122    -10.43174468
  H     18.72183285      8.64853058    -14.46781437
  H     16.69537067      8.83980420    -15.61209693
  O     15.27959426      8.37185186    -12.81340443
  H     20.00631106      9.34707724    -14.97317557
  H     13.89340088     10.74859461    -14.57772758
  O     17.43041034     11.94220767    -13.50482191
  H     15.55414181      5.85637506    -16.93718911
  H     12.84988360     11.06271418    -15.66951080
  O     19.95303697      6.17749248    -13.68193999
  H     14.53501696      5.33112993    -17.97506150
  H     17.54647839      7.43108735    -10.89959636
  O     13.44173471      6.34962181    -13.30554264
  H     16.10894969     10.01828593    -10.30578028
  H     16.44935738      8.30990131    -11.50332615
  O     19.61799610      5.29264896    -16.22146877
  H     16.41780956     11.51964775    -10.40091342
  H     13.75379361      7.19564782    -16.40502158
  O     16.89431559      5.64949919    -15.80240905
  H     14.94604676      9.27355551    -12.89816039
  H     13.35464144      8.53121590    -15.70436040
  O     18.04946522      5.70726691    -11.56062699
  H     14.55158043      7.74484659    -12.89956017
  H     18.49813597     11.70717209    -11.05233166
  O     20.28717380     10.09667746    -16.63788512
  H     17.51063799     12.59531632    -12.80258307
  H     18.66975728     12.94426087    -10.14595420
  O     17.04288874      8.25371623    -14.92625555
  H     17.89757763     11.17282991    -13.14840171
  H     19.33362453      9.72040173    -12.64723235
  O     13.56169165     10.46711248    -15.44532908
  H     19.98206338      7.13746494    -13.79740039
  H     18.33905391      9.49815146    -11.47415483
  O     17.14823705      8.30707605    -10.83016618
  H     19.35698146      6.01230241    -12.94273690
  H     18.49095449      7.81204658    -18.07400523
  O     13.23181559      7.57611002    -15.68705187
  H     13.30259844      6.73333267    -14.19101828
  H     19.48477703      6.94646532    -17.25171620
  O     18.04915109     12.50487573    -10.72147343
  H     12.58640384      6.08344677    -12.98029615
  H     15.63952296     11.41685845    -13.36779491
  O     18.90628625     10.15817843    -11.89816234
  H     20.26439295      4.62708094    -16.43959136
  H     14.88905254     11.08931636    -12.07362225
  O     19.38036315      7.79672412    -17.69007322
  H     19.79103577      5.56216728    -15.30099952
  H     17.87733283     11.92921767    -15.33954531
  O     14.78736808     11.09884818    -13.03760608
  H     17.78786359      5.36661035    -16.03139742
  H     18.80202698     11.27525549    -16.40221510
  O     17.97803695     11.76522347    -16.28597584
  H     16.97239614      6.57484750    -15.51933581
  H     16.09115449      7.32612277    -18.40968983
  O     16.76368310      7.98968039    -18.59541108
  H     18.22600301      4.96838561    -10.98303105
  H     16.47240575      8.77707443    -18.11345863
          69
 Energy    -248.02864854104996     
  O     12.72294608     -9.63700744      8.20758904
  H     13.65758849     -9.51030946      8.41800608
  H     16.66569403     -2.21413765     10.19142105
  O     11.61600973    -10.18650564     10.79440747
  H     12.32403678     -9.94516205      9.03147951
  H     14.60945599     -4.30335296      9.45390561
  O     16.11296165     -8.53819955     11.90900934
  H     12.25188683     -9.85555324     11.45087409
  H     14.02484648     -5.53768523     10.19810508
  O     13.69855910     -4.35217855     13.80305214
  H     11.30708112    -11.02895013     11.11863001
  H     17.53584418     -5.36960309     10.15599863
  O     14.52602642     -3.16240605      7.98414148
  H     16.29998678     -7.58450886     11.89178025
  H     17.51045298     -4.15671414      9.20618534
  O     16.38556467     -4.07048431     13.90056003
  H     16.83357963     -8.94806281     12.38188899
  H     11.47257538     -1.57352981      8.73581995
  O     16.60021565     -5.83381329     11.75137709
  H     13.24342467     -5.15413468     13.51472982
  H     11.67507916     -3.05766819      9.11867785
  O     16.12538636     -2.04923850     11.84502045
  H     13.41559796     -3.65352538     13.19830702
  H     12.97347684     -8.34042800     12.92341774
  O     10.95067061     -4.63561967      9.21429063
  H     13.75625586     -2.68324979      8.32032542
  H     14.28762518     -9.01068954     12.47862401
  O      9.82995941     -5.89127910     11.54295470
  H     15.32399084     -2.73348311      8.31970885
  H     15.66866856     -8.85916469     10.10837247
  O     13.25765816     -7.08356785     10.16879653
  H     16.68086082     -3.93441724     14.79634403
  H     15.73255406     -8.20515995      8.69186224
  O     16.91150334     -2.32505498      9.25572221
  H     15.41895617     -4.19649293     13.93993494
  H     11.99892110     -8.02825010      7.79227873
  O     14.55218668     -4.73494450     10.31371022
  H     15.87803594     -5.43524883     11.23856469
  H     12.43414040     -6.58715852      7.41200273
  O     17.71955463     -5.09753617      9.24744428
  H     16.67965523     -5.29848122     12.55046611
  H     14.08407408     -4.78355817      7.15688137
  O     12.10956953     -2.18523798      9.09507955
  H     15.15847732     -2.04687982     11.81409521
  H     14.76124071     -6.16086366      7.13756293
  O     13.36235657     -9.19157188     12.67885653
  H     16.35538827     -2.65384202     12.55953394
  H     12.84233647     -2.26953235     10.89611593
  O     15.24064131     -8.82925778      9.24348518
  H     10.57649001     -4.97665985     10.03618661
  H     13.78578239     -3.42271395     11.24616324
  O     11.71772532     -7.09920079      7.82296283
  H     11.08270113     -5.39562261      8.63788415
  H     10.46702376     -8.79811720     10.24667849
  O     13.92088704     -5.71750096      6.97233188
  H      9.78884835     -6.70515047     11.00786724
  H     10.33219118     -7.79496851      9.08026731
  O     13.38282310     -2.61691495     11.61257057
  H      8.94684649     -5.72796828     11.86345143
  H     16.93495817     -6.24021311      8.17676449
  O      9.94302620     -8.05304151      9.92332813
  H     12.62318382     -7.05733516      9.44324398
  H     17.05744179     -7.09522113      6.89588813
  O     16.47587901     -6.89794024      7.62645696
  H     13.91792947     -7.74165854      9.91952271
  H     11.41906719     -6.29694405     12.51661269
  O     12.32476128     -6.56887791     12.70750340
  H     17.52156492     -1.62134463      9.04981325
  H     12.70745652     -6.77100221     11.83889164
          69
 Energy    -248.02860679408354     
  O     14.23495216     12.02891356    -14.89509831
  H     15.16201145     12.19182595    -14.70044718
  H     14.71756228      6.51371136    -17.12930970
  O     14.88505420      6.22380794    -14.01943054
  H     14.22043039     11.41153294    -15.64178784
  H     20.20726143      5.91852283    -14.62343193
  O     18.02590169      8.33582444    -11.25529986
  H     14.52690434      6.01664503    -14.89245077
  H     19.74893727      7.26179143    -13.99960987
  O     19.02712573     10.73268780    -15.13521058
  H     14.16336988      6.48250376    -13.42771693
  H     15.44515515      7.88469221    -14.39499239
  O     12.22463789      8.18002919    -16.63988972
  H     17.82223685      8.18786531    -10.32353927
  H     16.61508977      8.55762766    -15.15651548
  O     14.46892189      8.31169080     -8.95734731
  H     17.72736695      7.54863094    -11.73508962
  H     12.99686783     11.53601308    -13.75392945
  O     13.09515482      7.19004250    -12.16748377
  H     19.62982708     11.30751715    -15.60295781
  H     11.65737018     11.90363583    -13.07738780
  O     16.35651463     10.19239431    -12.39475628
  H     18.32338108     11.30049563    -14.78587034
  H     16.67031769      6.03370676     -9.56566701
  O     15.79538549      7.73076889    -17.82326290
  H     12.69208921      7.33847766    -16.64485063
  H     16.67407009      5.42721044    -10.98475144
  O     13.60277913      5.71821182     -9.83984601
  H     11.86715494      8.28938836    -15.74526606
  H     11.69194037      9.50215881    -13.74277976
  O     18.08183076      8.25841748    -16.19608139
  H     14.18994934      8.91043695     -9.66281971
  H     11.88033042      8.01992744    -13.37049865
  O     14.08977582      5.92461709    -16.67422827
  H     14.04644510      7.46414879     -9.14424801
  H     19.40970137      8.74950036    -12.42937954
  O     19.44215784      6.46825394    -14.47558920
  H     13.14402510      6.61538090    -11.39360653
  H     19.70202021      9.53025633    -13.73985885
  O     15.84236279      8.73991537    -14.60586144
  H     13.38053540      8.06778173    -11.87554487
  H     16.45028817      6.02679881    -13.16061997
  O     12.32773681     11.22634866    -13.11889948
  H     16.11852885      9.69898439    -13.19847934
  H     17.99954907      6.02333848    -13.30544600
  O     16.28138303      5.33574237    -10.10684911
  H     16.97325956      9.63303433    -11.90462839
  H     16.16572238      7.99641660     -8.74356007
  O     11.46081985      8.60564607    -14.01250698
  H     16.66943164      7.85666010    -17.43418999
  H     17.38011538      7.82855077     -7.79790754
  O     19.99768781      8.79076200    -13.19694701
  H     15.31893310      8.55779046    -17.66932258
  H     13.24490828     10.30582775    -11.80859996
  O     17.28125451      6.03177543    -12.66259728
  H     14.54385355      5.49406926     -9.95370845
  H     14.73830162      9.96306010    -11.61143660
  O     17.09893448      7.71858496     -8.70191179
  H     13.19432135      4.98124508     -9.39420774
  H     17.11131835     13.12383560    -13.47828984
  O     13.84833284      9.75173526    -11.29695067
  H     18.47207489      9.10757400    -15.95197479
  H     16.77968938     11.62380901    -13.28771267
  O     17.02756768     12.29674362    -13.94727323
  H     18.56239584      7.57341543    -15.71312779
  H     13.51452686      9.40886574    -16.74365243
  O     14.34433792      9.90756704    -16.67372696
  H     13.91307370      5.20147614    -17.27042783
  H     14.81727781      9.53039701    -15.91700077
          69
 Energy    -248.02853408601283     
  O     12.85333012      9.65980112    -11.51366693
  H     12.23501525      8.92405703    -11.43973917
  H     12.50725414     13.59150892     -7.80537918
  O     13.98333731      7.42248008    -14.31992668
  H     12.34006348     10.45324864    -11.72096970
  H      9.75010486     12.78261670     -9.91491092
  O     11.51925761     12.03110128    -12.05157233
  H     13.40001476      6.87964697    -13.77462626
  H     10.75977795     13.51710836     -9.01580194
  O     13.85478979     10.14876580     -9.01371650
  H     13.46341279      8.17220200    -14.63293894
  H     11.24866268      8.65707212     -8.10378324
  O     14.77262843      6.53035963    -10.79387707
  H     11.09551300     12.44129444    -11.28981373
  H     12.35266639      7.58999780     -8.27020163
  O     12.16575910     15.39635820    -10.85559718
  H     12.27860082     12.58165899    -12.28197732
  H     11.31906889     11.45153773     -7.61844153
  O      8.79854961      9.12245826    -11.87794067
  H     13.49728688      9.95569112     -9.89589823
  H     12.20360165     10.43745675     -8.34201739
  O     13.75614570     13.64502601    -12.40911125
  H     14.14590193      9.30073407     -8.65696864
  H     14.48165367      7.11531303     -9.18630322
  O     13.81354676     14.19059598     -8.82014674
  H     15.40136038      6.88816382    -11.43177238
  H     14.80497733      6.98035360     -7.67995248
  O     10.98276195      7.59468807    -11.09356409
  H     14.02858957      6.20728258    -11.31612254
  H     14.72199508     11.57958560     -9.75990406
  O     16.30834508      7.60267277    -12.95737697
  H     11.78423117     16.26149869    -10.98106119
  H     15.49255020     11.61463821    -11.07300772
  O     11.66985459     13.32039326     -7.38912002
  H     11.43942504     14.80641367    -10.59151996
  H     13.15418221     10.43812806    -15.01376231
  O     10.36148287     13.53607370     -9.89615134
  H      9.25749441      9.53136222    -12.63473950
  H     12.55227369      9.77401309    -16.26962976
  O     11.41111886      7.75439904     -8.40709149
  H      7.90593651      8.94110123    -12.15943629
  H     10.59620788     11.04561821    -13.27876136
  O     11.30649255     10.56617063     -7.99949692
  H     14.26546499     13.21088717    -11.70893255
  H     10.96595048     10.01955138    -14.36117071
  O     14.27795045      7.47271960     -8.30322293
  H     13.29157533     14.38432808    -11.99765358
  H      9.02408147     10.42790700    -10.47286825
  O     15.12313805     12.19409855    -10.39261849
  H     14.39958566     13.59098307     -9.29823063
  H      9.85363224     10.78045139     -9.20910930
  O     12.58169624      9.71139572    -15.31751687
  H     13.37962857     14.73314709     -9.49013639
  H     14.81775735     11.14046494    -13.78386442
  O     10.23419194     10.32243026    -13.81131615
  H     10.16237241      8.04129806    -11.33594384
  H     14.08824089     12.47892769    -13.92796087
  O      9.17301764     11.11145273     -9.81136247
  H     11.05896131      7.59333314    -10.12672911
  H     15.93121800      9.37511204    -12.51751229
  O     14.25461100     11.64749033    -14.38616285
  H     15.51427775      7.53493014    -13.52050587
  H     14.55657279      9.93687298    -12.09601416
  O     15.46137913     10.19606294    -12.33310666
  H     17.02729219      7.21144891    -13.44552693
  H     12.10789481      4.99856266    -12.53807406
  O     12.53244499      5.84768650    -12.44845687
  H     11.58804906     13.82402562     -6.58356311
  H     11.90654815      6.42738548    -11.98022207
          69
 Energy    -248.02852192012898     
  O     -1.27814153     -0.56181829     -2.25805192
  H     -0.73662067     -0.28534954     -2.99313417
  H     -1.97923089      0.98535202      6.68993050
  O     -3.63164380     -3.40095210      3.46938885
  H     -1.22186869      0.14014252     -1.58824505
  H     -1.22011333      2.34227293      3.04301172
  O     -0.85595484     -3.85880756      3.23168041
  H     -4.06154057     -2.64338514      3.04438880
  H     -1.93452456      1.73655284      4.31209339
  O     -3.97715565     -2.99792224     -0.22622707
  H     -3.87742931     -4.16216180      2.93010509
  H      1.45965735     -0.03963133      3.56031151
  O     -5.54273545      1.36422150     -1.50813686
  H     -0.49070562     -3.12913012      2.70657414
  H      1.27898692      0.94034947      2.37803396
  O      0.80058103     -0.40185788      5.21414951
  H     -1.80405161     -3.68743851      3.32523359
  H     -2.05666639      1.97320132     -0.42558482
  O     -4.07209842     -5.33876868      1.39814300
  H     -3.01386207     -2.95614490     -0.32285869
  H     -1.72298189      0.72638786      0.43949299
  O     -3.46844827      3.02261353     -0.51309024
  H     -4.16661931     -3.83237147      0.21864817
  H     -5.87147630      1.11007503      0.33281709
  O     -0.08788504     -1.75459185      1.67158627
  H     -5.05631665      0.55232906     -1.73799566
  H     -5.42640675      1.73103462      1.66946795
  O     -1.19802226     -2.85954570     -0.58560883
  H     -6.20746709      1.48475712     -2.18076655
  H     -2.28006338      0.59348991      2.52833485
  O     -1.41165657     -5.32301452      0.85627373
  H     -0.01942432      0.04866594      5.44412255
  H     -3.15102655     -0.55586018      1.92951812
  O     -1.81624824      0.70809753      5.79160176
  H      0.64703301     -1.33312647      5.41493350
  H     -4.57726098     -1.88704110      1.10418983
  O     -2.07512312      2.17551700      3.46147077
  H     -3.12827374     -5.44845590      1.18197610
  H     -5.24461259     -0.60680736      1.72931871
  O      1.66960728      0.09519991      2.62280984
  H     -4.47639640     -6.19797499      1.31440852
  H     -3.18557803     -0.76784320     -2.24600762
  O     -1.36627397      1.31669894     -0.24160646
  H     -3.76229944      3.19715702      0.38973710
  H     -4.21409527     -1.65880298     -1.51949726
  O     -5.89296920      0.97741774      1.28925888
  H     -4.19069366      2.53821396     -0.93478726
  H     -4.65543916      3.93922163      2.71485063
  O     -2.27733882     -0.14525606      1.90877101
  H     -0.88204909     -1.21858407      1.81924194
  H     -3.53733146      2.87469227      2.71377816
  O     -4.71454989     -1.39338654      1.92517655
  H      0.66107669     -1.20001198      1.92956770
  H     -1.72235560     -2.36016437      5.81434539
  O     -4.12807079     -0.86904019     -2.06865610
  H     -0.71428397     -2.49613289      0.17217568
  H     -3.04016120     -2.42001930      5.01621283
  O     -4.31061018      3.19761413      2.22315991
  H     -1.14482137     -2.18995608     -1.27700853
  H      0.44972429     -3.83074739      6.19761248
  O     -2.55476539     -1.89389613      5.66231620
  H     -1.06471939     -4.98721775      1.69369880
  H     -0.20003807     -3.48620821      4.83798683
  O      0.01638068     -3.13048813      5.71685611
  H     -1.23854400     -4.62960102      0.20659818
  H     -0.25579093      2.10530753      0.99141762
  O      0.18450089      2.46486306      1.77867560
  H     -2.16187431     -0.19956989      5.71653228
  H      0.65984269      3.24216134      1.49379985
          69
 Energy    -248.02850617628712     
  O      0.08188830     -1.56641257     -1.72741996
  H      0.55273845     -0.78169055     -2.04757310
  H     -1.74149842      0.87428601      3.11756489
  O      1.32122855      0.79187636     -2.45178897
  H      0.71001192     -2.07222720     -1.20273106
  H      0.29953564      0.99877515      2.77849274
  O      3.48308283      3.08205279      3.11718212
  H      2.20896635      1.04650356     -2.17746079
  H      0.43534737      0.33051559      4.15818929
  O      0.54100549      0.50691381      1.06055243
  H      0.72432926      1.42065937     -2.02189968
  H      2.88266069     -0.16557685      3.72286627
  O     -2.51105280     -1.20070697     -1.17158782
  H      3.44920005      2.11242018      3.18758301
  H      3.49503055      0.04061178      2.31898313
  O     -2.87820990      1.38289636     -0.06705076
  H      4.23845103      3.35953137      3.63042627
  H      1.99830950      4.18106967      3.11013581
  O      2.07347816     -2.83442020     -0.03316685
  H      0.27267451      1.13986729      0.38153772
  H      1.61960657      5.45345189      2.32924542
  O     -1.57262892     -1.43473580      1.46202997
  H     -0.10669792     -0.20884633      1.06930143
  H     -3.20651555      3.24092219      0.41759252
  O      3.87915874      1.53132255     -1.35108904
  H     -1.58356499     -1.33510001     -1.44450452
  H     -3.33242685      3.91721958      1.79754830
  O      3.45338519      3.61553448      0.31321086
  H     -3.04832430     -1.73246162     -1.75182776
  H     -1.38907815      4.55295385      0.77076909
  O      0.66869471     -2.73118177      2.45519088
  H     -2.78322226      1.18460637      0.87539596
  H     -0.06416964      4.48096400      1.59465240
  O     -2.62309324      0.82892162      2.71880039
  H     -2.87958445      0.53416265     -0.52758551
  H     -2.55065875      3.54521779      3.89763908
  O     -0.00719648      1.05174354      3.69639165
  H      2.54426790     -2.00178367      0.14343499
  H     -4.04012414      3.71551640      4.28593768
  O      3.49700545      0.38396969      3.22246368
  H      2.72215315     -3.45325753     -0.35931752
  H     -0.15089022      4.21652837      4.00345815
  O      1.29962278      4.84151620      3.00097832
  H     -1.97366915     -1.48870300      0.58538003
  H     -0.51525083      2.73784926      4.20307870
  O     -3.09920906      4.08410905      0.87512252
  H     -2.09106557     -0.79910076      1.97267102
  H      2.19271493     -0.03850168      0.72628906
  O     -0.42506292      4.63028600      0.71255565
  H      3.72395729      2.31483992     -0.79327662
  H      3.46681805      0.21797027     -0.12352458
  O     -3.46554367      3.37392721      3.60659521
  H      4.66101814      1.71244850     -1.86554281
  H     -0.28349802      3.16952022     -0.38467687
  O     -0.86442805      3.63623059      4.29409448
  H      2.99221984      4.45961921      0.25157579
  H     -1.28029599      2.02550672     -0.69026484
  O      3.09067686     -0.36440714      0.54774401
  H      3.50941733      3.40793748      1.25406220
  H      1.56835472     -1.71981367      5.30299821
  O     -0.36957579      2.31884279     -0.83339890
  H      1.16977336     -2.89534992      1.64803763
  H      1.22012181     -1.78089531      3.79742637
  O      1.49363970     -1.18450759      4.51789274
  H     -0.19513049     -2.40609309      2.16374625
  H      1.01565639      5.61917477      0.33513451
  O      1.90015121      6.01767075      0.41150087
  H     -3.09395157      1.60272936      3.05105644
  H      1.85381020      6.86740228     -0.01866115
          69
 Energy    -248.02827819329406     
  O     11.68396952     10.05301817    -14.54905511
  H     11.52038524      9.58625384    -13.72096867
  H     20.92632348      6.87629274    -13.14954356
  O     16.27565876      5.80929845    -12.13034105
  H     11.77527681      9.38864434    -15.24289264
  H     15.45805013      9.54459577    -16.67508618
  O     17.74153443     10.50509761    -12.15309168
  H     16.91164691      6.46883289    -11.81560426
  H     14.42632549     10.61865686    -16.25331205
  O     16.93480897      8.63879985    -15.99867619
  H     15.49777888      5.85234636    -11.55878409
  H     15.69980562      7.02827067    -13.39864160
  O     13.20637421      6.23840434    -15.12867023
  H     16.81365455     10.50227589    -12.42963204
  H     14.52942088      7.22056709    -14.39491053
  O     16.25244543      8.83588995     -9.30542075
  H     17.77441612     10.91293399    -11.27683890
  H     10.36012727      8.73511415    -11.69283421
  O     13.99639005      6.19935712    -10.60986282
  H     16.37652649      8.25610408    -15.30553285
  H     11.41865938      7.78020152    -12.29734342
  O     15.11571045     10.17225468    -12.92772883
  H     17.70202988      9.02603591    -15.55223110
  H     12.64074540      5.96881530    -12.00280648
  O     17.45619729      6.30479126    -17.29217740
  H     12.86277718      6.87239720    -15.77120703
  H     12.35676297      6.09200473    -13.52468948
  O     18.86822205      5.38204606    -14.99385204
  H     13.85676672      5.67091237    -15.57101299
  H     18.66320628     10.00232650    -13.69237336
  O     16.76933184      3.80942802    -13.91514086
  H     15.39044287      8.90462694     -9.73317983
  H     19.44767095      8.73834252    -14.08453432
  O     19.99852813      7.08566009    -13.21766218
  H     16.82688795      8.35179133     -9.91231767
  H     17.88138053      8.75041067    -11.66408973
  O     14.57986513      9.89525081    -16.87331956
  H     13.90459963      5.99601605     -9.68174979
  H     18.74999531      7.50765943    -11.91034431
  O     15.29657853      7.65988418    -14.00513624
  H     13.94478289      7.16742168    -10.68618569
  H     18.02953054     11.51438918     -8.70939258
  O     11.23847997      8.70912919    -12.06380856
  H     14.70071378     10.78603899    -13.54525188
  H     17.07782450     10.46198261     -9.30073441
  O     11.95451842      6.17383521    -12.64764504
  H     15.15673864      9.30528503    -13.36071399
  H     15.97478711      5.27578084    -16.64360188
  O     19.01381794      9.51690401    -14.45225133
  H     17.28917503      7.18549699    -16.91387362
  H     15.74505693      4.35970828    -15.43080437
  O     17.98292644      7.82097558    -11.41248730
  H     17.73007523      6.44045912    -18.19537842
  H     12.87224805      8.96133472    -11.13704671
  O     17.56199243     11.27855970     -9.50628595
  H     18.23662936      4.74547674    -14.63739491
  H     14.28121322      9.44307976    -11.51915621
  O     15.28936297      4.80006937    -16.15898155
  H     18.49209364      5.68157918    -15.83028256
  H     12.96558100     11.20091934    -14.71050852
  O     13.79479127      8.93464839    -10.85315160
  H     16.75279367      2.95977405    -13.48241478
  H     13.52085039     12.64127733    -14.86606969
  O     13.78036745     11.72529309    -14.82225091
  H     16.58583271      4.47804612    -13.23272241
  H     11.91036594      8.35919162    -17.59318188
  O     12.36738067      8.34066373    -16.75653612
  H     19.61830491      6.46280808    -13.86234723
  H     13.17668091      8.87266796    -16.86616672
          69
 Energy    -248.02818743729648     
  O     -9.77826703      0.66852720      3.87760953
  H     -9.48720212     -0.24010949      4.02437754
  H     -9.50163481      2.77682706      1.46336350
  O     -5.99684449      0.74950229      6.45896861
  H    -10.31200956      0.91497820      4.64811328
  H     -4.85255983     -0.13888086      2.73506952
  O     -8.89942021     -1.84017798      4.83016184
  H     -5.89836578     -0.17017193      6.16779175
  H     -3.85119296     -1.29137042      2.57540576
  O     -7.76547899      4.36275226      5.66024492
  H     -6.49393611      1.18321735      5.74969247
  H    -11.98060250      1.82992797      5.98966700
  O    -13.34407478      2.98620324      5.56134687
  H     -9.14130114     -1.52789013      5.72109907
  H    -10.56582272      2.02664190      6.60521787
  O     -7.35616483      1.92902589      4.34996432
  H     -9.28129911     -2.70903971      4.73269033
  H    -11.33180062      5.91727097      5.31049106
  O     -7.79523650      1.06018689      8.48744352
  H     -6.85150448      4.67332447      5.63884184
  H    -11.59807785      7.25838732      4.58484356
  O     -9.42959919      3.14709339      7.46290970
  H     -8.22267832      4.74433993      4.89647727
  H    -11.71667091      3.63065548      2.77029737
  O    -11.55796778      4.91008455      6.72531439
  H    -13.08452568      3.31777827      4.68245285
  H    -12.12780309      4.91915964      3.51379450
  O     -6.26694103      5.37764709      2.62147009
  H    -14.29223294      2.89103051      5.55330817
  H     -9.34046475      4.41118341      2.94801242
  O     -5.15082590      1.65240981      2.73130332
  H     -8.19845823      1.49409270      4.16939271
  H     -9.73288657      5.73658155      3.66269639
  O    -10.07990193      2.90387488      2.22857299
  H     -7.53854782      2.78332623      4.76013084
  H     -5.11431467      3.97803733      0.06296269
  O     -4.74955120     -1.09826251      2.83395979
  H     -7.38845825      0.91394552      9.33775953
  H     -5.87052666      4.26256294      1.38255309
  O    -11.14319309      1.38501924      6.16541845
  H     -7.09437166      0.95525007      7.82070805
  H     -9.00661676     -0.24297101      7.72173487
  O    -11.26080036      6.37646429      4.45427395
  H     -8.90098026      2.49684334      7.94133358
  H    -10.31800537     -0.10654524      6.93156197
  O    -12.44969067      4.05205110      3.23885934
  H     -8.81836377      3.61760676      6.87556970
  H     -6.97749296     -1.80220201      5.04395750
  O     -8.98209703      5.21482077      3.35190130
  H    -10.85274008      4.39467314      7.13556104
  H     -5.58904862     -1.57297499      4.40387891
  O     -5.67250850      3.57355877      0.72148799
  H    -12.24353006      4.27724926      6.47597243
  H     -4.57747296      1.89756372      5.80089644
  O     -9.64624716     -0.74651889      7.20516614
  H     -7.21386826      5.43412794      2.80831399
  H     -4.28261635      2.21124516      4.32416294
  O     -6.04281868     -1.68741080      5.25108152
  H     -5.81836957      5.32946089      3.47372946
  H     -7.34025352      2.82875300      0.37226812
  O     -4.12412231      2.52573558      5.22465571
  H     -5.97137067      1.74116672      3.24246966
  H     -8.05191626      1.57600014     -0.15078376
  O     -8.21308476      2.43118873      0.24330017
  H     -5.22614132      2.25840757      1.98634922
  H     -4.47830234      5.64839132      5.65197033
  O     -5.09657478      5.05586935      5.23309901
  H    -10.03469488      2.08557210      2.74132071
  H     -4.69506917      4.16891515      5.25435169
          69
 Energy    -248.02816520422505     
  O     10.92544133      9.31415607    -15.56460353
  H     11.05469953     10.12941930    -15.05873995
  H     19.32118070      8.91459329    -16.03970119
  O     15.92669139      7.68229643    -11.47605979
  H     11.17568269      8.58544567    -14.98650820
  H     16.66084430     10.91169272    -10.87021427
  O     16.21024316     11.80172337    -14.10084498
  H     16.31170957      7.47886502    -12.33768500
  H     17.68831185     10.30616455     -9.88908035
  O     11.97152044     10.12306956    -17.93690789
  H     16.39269051      8.46145049    -11.14969875
  H     15.33416140     10.79964403    -17.04630083
  O     13.99329954     10.16334746    -13.96960293
  H     16.93501635     11.17801827    -13.94760149
  H     16.60437469     11.66030127    -17.22248659
  O     14.03362506     14.52069697    -11.44337967
  H     16.07681480     11.86281929    -15.05653829
  H     11.67530228     12.30243497    -13.61891414
  O     13.33007582      8.48254012    -11.90055226
  H     11.56428129      9.77468788    -17.12334647
  H     12.14015627     12.18515025    -15.12557298
  O     17.21860674      8.64957886    -18.38273010
  H     11.31059176     10.06459092    -18.62153608
  H     11.37378465      6.42350851    -13.52259908
  O     13.04034605     11.04817189    -10.75473831
  H     14.76560633     10.74000229    -13.98281538
  H     12.30832381      7.56540984    -13.06752231
  O     18.50509260      7.21736178    -16.47042055
  H     13.21107183     10.71061262    -14.11850443
  H     13.94849330     12.41799028    -16.74460374
  O     16.84985910      7.51143192    -14.20619239
  H     13.16600887     14.13149257    -11.62762199
  H     12.61826594     11.80956369    -17.21702672
  O     19.48712830      9.84229612    -15.83076583
  H     14.09245209     15.30111085    -11.99044408
  H     17.63121757      9.05528654    -13.67587920
  O     17.25348111     10.15535467    -10.72485664
  H     14.17198224      8.08321120    -11.63647976
  H     17.97087433      9.96037894    -12.45984206
  O     15.72663615     11.65498216    -16.81994519
  H     13.56008415      9.13626811    -12.58071698
  H     15.14529146     13.07444748    -11.30881251
  O     11.74777925     11.71082489    -14.37512592
  H     17.60219505      9.53465983    -18.36914332
  H     15.78970324     12.16960142    -12.37934243
  O     11.87286398      7.17076789    -13.84218122
  H     16.26920643      8.77160499    -18.24489703
  H     14.48549519      8.59427005    -16.85046794
  O     12.99109487     12.51900610    -16.67766966
  H     13.02316576     10.10640338    -10.96259466
  H     13.70119119      9.47474791    -17.85315611
  O     18.07089244      9.87922613    -13.41555994
  H     13.94080092     11.34754944    -10.93730521
  H     12.06458642     12.30272808    -11.43944407
  O     15.57134562     12.21600008    -11.43684281
  H     18.95757954      6.47361675    -16.85918029
  H     10.82095178     13.22531527    -11.42715740
  O     14.59010536      9.19312947    -17.60333572
  H     18.01957304      7.65865256    -17.19077076
  H     18.96436794     11.77176269    -18.30561300
  O     11.64346931     13.06352246    -11.88236839
  H     15.95665833      7.52670962    -14.57712915
  H     18.78513014     10.81913233    -17.09971169
  O     18.31612859     11.25707710    -17.83273406
  H     17.44293453      7.29008621    -14.93570189
  H     13.49654463      7.31868121    -14.92522274
  O     14.27404659      7.78822562    -15.24442034
  H     19.15152253      9.96491452    -14.93288610
  H     14.20479220      8.67638863    -14.85334243
          69
 Energy    -248.02812410274242     
  O     11.25106988     13.51676453    -12.70460892
  H     11.03641293     12.70812954    -12.22792613
  H     15.16140425      8.39890418    -11.54112896
  O     11.16171508     10.85630979    -11.39327376
  H     11.28177599     13.27531598    -13.63909168
  H     13.76606053      7.64287004    -13.11540589
  O     13.57329976      8.57877992    -14.56407983
  H     12.11160929     10.94617902    -11.58066479
  H     13.95541193      6.27869570    -12.41059313
  O     13.72749615     13.18806489     -9.70128217
  H     11.05794448     11.14137041    -10.47280699
  H     15.12185059     13.80069686    -13.48296770
  O     15.08915167     10.78275167    -17.70633328
  H     14.33860398      9.13628272    -14.75523636
  H     14.76982432     14.82342376    -12.40305167
  O     11.09797657      9.91738997    -14.00601441
  H     13.05294329      8.49952008    -15.37635193
  H     11.65170473      9.04989514    -10.73712909
  O     12.90690990      9.30780794     -7.90556469
  H     13.57874365     13.97774202    -10.23759011
  H     12.66136895      7.90214792    -10.97715505
  O     13.84384879     11.24124358    -11.69445727
  H     14.63608665     13.19738481     -9.37467826
  H     17.44227771     11.10310830    -12.47554855
  O     11.52594997     11.66678599     -8.81046582
  H     15.40496350     10.56805070    -16.81467164
  H     18.50192855     10.07383833    -12.93679443
  O     17.16015130     12.55563694    -11.62615902
  H     15.87064685     10.87641981    -18.24540758
  H     11.82537219     12.12101567    -16.19035905
  O     14.20223060     12.34819345    -14.18546123
  H     11.97938409      9.51943554    -14.02613237
  H     11.36027634     11.49362897    -14.85777218
  O     15.64788900      9.14993216    -11.17953439
  H     10.92428504     10.16605639    -13.08900913
  H     16.89831376     12.98377618     -8.14297257
  O     13.90944106      7.21811071    -12.25178621
  H     12.63414970      8.87951057     -8.73619335
  H     16.09705408     11.78114649     -8.70194537
  O     15.51930200     14.42211946    -12.85700076
  H     12.61402818      8.73996055     -7.19729670
  H     16.44141839     10.22052824    -14.41850268
  O     12.09752589      8.30995444    -10.30975879
  H     14.46419181     10.53655667    -11.47457485
  H     15.21894145     11.09246226    -14.79765212
  O     17.56380077     10.24256046    -12.92108474
  H     13.87967938     11.90126203    -10.98769012
  H     12.16504771     11.56970747    -18.68717831
  O     11.62999938     12.32944086    -15.26901577
  H     11.94114552     10.91898580     -8.36406739
  H     13.36448318     11.15174147    -17.80548592
  O     16.35701180     12.70506318     -8.87625060
  H     12.24783664     12.28113436     -9.00515607
  H     15.65254388      9.71313239     -9.42848845
  O     15.72447977     10.30333844    -15.05717782
  H     16.65954494     13.26733390    -12.05136041
  H     14.66055646      9.89804668     -8.26129673
  O     12.40388184     11.30395752    -17.80253352
  H     16.97287960     12.61966224    -10.68351564
  H     12.40883506     14.63182633    -11.98177434
  O     15.53302712     10.16009852     -8.57932429
  H     13.33624196     12.43130508    -14.60166470
  H     12.68164259     16.05191212    -11.43804551
  O     13.07361654     15.18843150    -11.53867401
  H     14.05898211     11.99795675    -13.29179966
  H     11.89141967      9.58571371    -17.09633893
  O     11.70276784      8.78822193    -16.58571928
  H     16.34976848      9.39134623    -11.79755725
  H     11.12031269      9.07375995    -15.87102711
          69
 Energy    -248.02806076309250     
  O     15.08650603     11.66724582    -15.21903938
  H     15.09268219     11.19344296    -16.06277920
  H     15.06076432      4.66715656    -18.75979421
  O     14.03540660      6.60813093    -16.01573049
  H     14.35927005     11.29406935    -14.70734437
  H     18.71900440      8.15410014    -17.66240963
  O     18.55376179      7.03000633    -12.70151186
  H     14.25481630      6.10379035    -16.80558507
  H     17.69752074      8.80914444    -18.57998286
  O     18.65554379      6.77832379    -16.38414458
  H     14.84518401      7.09929511    -15.79806690
  H     16.52194213      8.50764072    -14.72761891
  O     15.96544398      8.00729315    -19.23752265
  H     17.98206645      7.81085214    -12.76816612
  H     15.99700912      8.81980497    -16.16408120
  O     15.12297617      7.50852783     -9.63048595
  H     19.33385634      7.23524583    -13.22933965
  H     13.44667367      9.70641420    -13.11038524
  O     14.31067123      6.05258438    -13.34478659
  H     17.85282111      7.24270199    -16.09506734
  H     12.29851525     10.72616057    -13.26383304
  O     16.89957420      9.16686556    -13.06064499
  H     19.35602294      7.02625226    -15.76957357
  H     16.47000906      2.82221314    -10.58479432
  O     17.02374616      4.57363668    -16.31012336
  H     15.77916269      7.12035388    -18.89436493
  H     15.58654261      4.07020230    -10.82791188
  O     14.10704982      5.02850623    -10.73697198
  H     15.85364914      7.95819249    -20.18465967
  H     12.95356474      8.11674165    -16.17946713
  O     19.37954979     10.10541610    -15.65206058
  H     16.00261982      7.12850564     -9.80836406
  H     12.65402713      9.42451887    -15.41054594
  O     15.33715038      5.41828241    -18.24122742
  H     15.12591212      7.79003587     -8.71968242
  H     20.13335341      8.74213877    -14.89571069
  O     18.51047969      8.99194613    -18.09985495
  H     14.00377986      6.13191782    -14.25674311
  H     21.43793968      7.96191326    -14.60482092
  O     16.31719417      8.11506450    -15.58488750
  H     15.20498447      5.68415520    -13.39711978
  H     16.80796746      4.37164660    -12.68922356
  O     13.02274618     10.31815609    -13.73331870
  H     17.10127048     10.08608735    -13.27698233
  H     17.49337368      5.62952392    -13.28272565
  O     16.47916447      3.70115797    -10.95319514
  H     16.01595957      9.10763757    -12.67604215
  H     17.27108528      5.35468878    -10.35744452
  O     12.63915863      9.02532306    -16.28868697
  H     16.88039644      4.53821950    -15.35692269
  H     17.98265071      6.56763009    -10.98459181
  O     20.48852837      7.90438616    -14.54396879
  H     17.73704214      5.21934854    -16.42578692
  H     14.11919707      9.62294010    -17.10061646
  O     16.85348143      4.92963149    -13.47575202
  H     13.97528735      5.30931906    -11.65367924
  H     15.27657907      9.34853785    -18.10615332
  O     17.47743535      6.28595605    -10.21034973
  H     14.29972355      5.83643469    -10.24631714
  H     14.54937443      8.30660195    -11.19363634
  O     15.01895485      9.88922746    -17.35131334
  H     18.74664811     10.68699868    -15.21870633
  H     14.30648737      7.68377592    -12.58916987
  O     14.35843810      8.52770507    -12.11420487
  H     19.03414220      9.89833840    -16.53208814
  H     17.76422355     12.54873837    -13.80569346
  O     17.51506769     11.67512132    -14.09387187
  H     15.94636819      5.07440196    -17.56157235
  H     16.64487034     11.75589250    -14.52567894
          69
 Energy    -248.02792506289899     
  O     14.56719661      9.78202828    -10.50891648
  H     14.41439388     10.32052929    -11.29847632
  H     13.26707761      8.71308429     -9.87072336
  O     13.01872017     10.28179129    -16.37160620
  H     15.32995168     10.12114953    -10.02455933
  H     18.55840812      7.77080259    -15.19730087
  O     16.80727747     10.94137102    -13.76805691
  H     13.89660886     10.14632404    -16.74390503
  H     19.96556735      7.13539406    -15.26339540
  O     16.78241679      7.60463273     -8.50246349
  H     12.89653101      9.60112502    -15.69716634
  H     14.42985373     12.84877401    -15.30904159
  O     16.35881520     12.65483662    -15.85241810
  H     15.88979659     10.84393614    -13.47694185
  H     13.23308643     11.90314776    -15.51060522
  O     15.81490848      7.69794740    -11.92754053
  H     17.37586763     10.86648974    -12.98763525
  H     13.80860447      7.97749587    -14.44049867
  O     14.14362420     10.77688778    -13.01702396
  H     17.35054136      6.97491198     -8.96961039
  H     12.61802594      7.90003753    -13.47271389
  O     18.60265388      7.75896825    -12.08679601
  H     15.94033525      7.15652240     -8.37154303
  H     15.70953529     10.67715331    -18.39807346
  O     18.30153367     10.48345366    -11.54827617
  H     16.59473647     12.12977542    -15.06748238
  H     15.94769970     11.29286983    -17.00116231
  O     17.18588167      5.06889772    -14.16404371
  H     16.91656751     13.42840620    -15.84244672
  H     11.57214732      5.93882095    -12.24250672
  O     16.82096419      3.94683330    -11.71794238
  H     15.45090137      6.88766615    -11.54933569
  H     13.04395080      6.09764330    -11.80995166
  O     12.66194401      7.99904464     -9.61809332
  H     15.42147099      8.43177026    -11.43969990
  H     13.63841015      6.87894058     -8.72429753
  O     19.12927762      7.08833793    -14.80672747
  H     13.85968289     11.52209905    -13.56529184
  H     13.89357558      5.88515601     -7.56274508
  O     13.56139334     12.62909478    -14.95690036
  H     13.71854716      9.98499768    -13.37370676
  H     15.26250640      4.76977618    -11.21849815
  O     13.01817405      8.45724266    -14.14978149
  H     18.85740127      7.50612232    -12.98087520
  H     14.49842198      5.52061500    -10.07344910
  O     15.76314056     10.46214177    -17.46944490
  H     17.63356167      7.72778094    -12.04357368
  H     18.58208460      6.47702273    -10.72316284
  O     12.26090967      6.58715874    -12.11113391
  H     17.89353010     10.49110877    -10.67415018
  H     17.84146463      5.14259654    -10.54818877
  O     14.26297175      6.21570211     -8.37692315
  H     18.58256460      9.56934754    -11.69447623
  H     15.55675239      7.42125391    -13.65256935
  O     14.53101177      5.37188704    -11.02898660
  H     16.44386766      5.63955171    -14.40420022
  H     16.04021628      7.80423628    -15.07290324
  O     18.27509311      5.84764146    -10.05577299
  H     17.96831273      5.58010913    -14.40039498
  H     17.11246994     10.71464107     -8.26607253
  O     15.42896178      7.22866861    -14.59660355
  H     16.98450584      4.30905225    -12.60700531
  H     16.91150700      9.29203160     -8.84038127
  O     16.91793321     10.24025142     -9.06965009
  H     17.05816228      3.02376832    -11.75061509
  H     16.87565235      9.37861631    -16.42432244
  O     17.32742854      8.99769715    -15.66154042
  H     12.34202761      7.62136259    -10.44483716
  H     17.22682476      9.64012850    -14.94191571
          69
 Energy    -248.02790363023757     
  O     15.48398818      4.44285916     -9.43213917
  H     15.61898200      5.24616993     -8.91595609
  H     17.45777873      4.59025381    -13.31899627
  O     12.97043051      4.20784582    -10.63313986
  H     14.57569401      4.45750943     -9.76505879
  H     13.74929641      9.98530477    -12.34773245
  O     17.41189107      4.09342818    -11.40947099
  H     12.82975098      3.25359308    -10.58251440
  H     14.06633393      9.50979010    -10.91324754
  O     19.36284770      7.13825516    -13.87379981
  H     13.24486478      4.39997947    -11.53937803
  H     15.54409135      7.45663431    -12.86580956
  O     12.02277499      6.84072439    -13.19198329
  H     16.69782709      4.18608381    -10.76138617
  H     15.13937184      6.05153868    -12.36654122
  O     13.02243716      1.39594267    -10.56637289
  H     17.94172787      4.89504266    -11.30824307
  H     14.57085448      7.55055916    -10.73547112
  O     15.46073509      1.60165070     -9.38488312
  H     20.21879652      7.34771423    -14.23631061
  H     14.53200687      7.65524654     -9.20097638
  O     17.80693405      9.31682745    -13.69359921
  H     18.84865536      7.96728537    -13.86423912
  H     15.43682819      1.77823646    -12.61251006
  O     16.93028553     10.53643390    -11.26118330
  H     12.58654705      6.07105400    -13.30841601
  H     13.95241055      1.72168354    -12.21658352
  O     14.05236633      4.71314273    -13.22917974
  H     11.73387894      6.81989080    -12.26636026
  H     11.88178397      5.75015645    -10.37380977
  O     15.38649776      8.27373639    -14.54072034
  H     13.85790819      1.38211709    -10.06510020
  H     12.34700285      7.19879544    -10.21456712
  O     17.56909603      4.93772380    -14.21140529
  H     12.48346299      0.68536011    -10.23089031
  H     18.80163371      6.87753402    -12.12221065
  O     14.25850730     10.20401470    -11.55977551
  H     15.54487110      2.54933926     -9.21223326
  H     17.34904134      6.77998229    -11.58421458
  O     15.57475460      6.86967522    -12.09860098
  H     16.09242956      1.40300788    -10.08762070
  H     17.34242433      2.36231038    -11.64912700
  O     14.05586554      7.91225024     -9.99806374
  H     16.96328737      9.06640699    -14.09655544
  H     17.88327913      0.96229643    -12.02524013
  O     14.55718610      2.06489322    -12.88639575
  H     17.58937493      9.75446054    -12.86188152
  H     16.16987447      5.35188234    -15.12745420
  O     11.58425276      6.66367772    -10.47549711
  H     17.10727017     11.45660230    -11.08084164
  H     15.30697309      5.24054844    -16.41255266
  O     18.28238836      6.67763699    -11.33416174
  H     15.96759564     10.46102569    -11.38718373
  H     15.90392859      7.03886300     -7.10534557
  O     17.10088795      1.42307733    -11.73463058
  H     14.38628468      5.00460886    -14.08738074
  H     16.49966654      7.49304159     -8.45925484
  O     15.33119641      5.62893942    -15.54226123
  H     14.25032217      3.76454812    -13.16482643
  H     17.36191271      9.23723425     -9.91435093
  O     15.83571978      6.91037538     -8.04768395
  H     14.50900500      8.66885238    -14.44897009
  H     18.02655008      7.85539456     -9.95537377
  O     17.60513097      8.48858420     -9.35696725
  H     15.29785652      7.44241765    -15.02319607
  H     12.17164090      9.76091468    -14.34960694
  O     12.87596525      9.28447842    -13.91907372
  H     18.22612233      5.64384820    -14.15190140
  H     12.51384255      8.41607293    -13.66346776
          69
 Energy    -248.02785988030735     
  O     11.99622465      6.72948998    -15.57930362
  H     12.76158487      6.90441858    -16.14325831
  H     17.53544672      6.45428955    -16.08914138
  O     17.09301900      7.10011516    -13.09481591
  H     11.61699037      7.58550014    -15.34955158
  H     18.36802060      9.75494238    -13.59830833
  O     14.79055000     10.63391714    -11.83914116
  H     16.66900371      6.44861827    -12.52238333
  H     18.62953535      8.92457442    -14.88535460
  O     15.10500978     11.07030610    -14.58326227
  H     17.26692158      7.89519934    -12.57268141
  H     13.24761430     10.49199167    -17.03547780
  O     16.21747327      5.05785456    -16.45500946
  H     14.04499138     10.03135679    -11.97365872
  H     13.61670587     10.98500343    -15.63016975
  O     13.73930586      7.33601666     -8.93564903
  H     14.91179671     11.06422586    -12.69586822
  H     14.73457692      7.89131632    -15.18924225
  O     15.67996852      5.32892567    -11.53757841
  H     15.87535138     11.35561232    -15.09020018
  H     15.65805671      7.82785707    -13.93416025
  O     12.84685828      8.79293537    -12.65616873
  H     15.13897409     10.10132671    -14.54161644
  H     11.61788320      4.16509787    -13.81897697
  O     16.43415304      9.04130609    -17.29218965
  H     16.40427795      4.26989468    -16.95855738
  H     12.15361559      5.50974060    -14.36525371
  O     16.47394586      6.42291843     -9.15034320
  H     15.84698227      4.76267072    -15.60365286
  H     18.22289546      9.41696844     -8.45545821
  O     17.37733605     11.51471122    -16.13277888
  H     13.10865027      7.09175733     -8.26194357
  H     16.79653782      9.38872586     -9.06030084
  O     17.94333225      7.22556278    -15.67787899
  H     13.42340548      6.94120497     -9.76403980
  H     14.11073525      4.41824413    -14.02642460
  O     18.68955246      9.80983684    -14.50726187
  H     16.07468669      5.56160093    -10.68416605
  H     15.42117546      4.49618473    -13.23161713
  O     12.86740715     10.74181263    -16.19528774
  H     14.77564743      5.66902639    -11.51335976
  H     16.55966182      9.93479787    -11.89388649
  O     14.90879911      8.29034677    -14.32876851
  H     13.57253330      8.55500872    -13.25948530
  H     17.69839534      9.40908097    -10.98668053
  O     12.28400583      4.83257383    -13.67679731
  H     12.10235704      9.02423305    -13.22298537
  H     14.55176284      9.07311265     -9.07088049
  O     17.70263376      9.04281409     -9.16144523
  H     16.70093062      9.93742405    -17.06319731
  H     14.93905051     10.25612398     -9.99586168
  O     15.06655485      4.31869614    -14.11161336
  H     17.01499450      8.46279636    -16.77674751
  H     12.92092943      7.24174137    -11.80401456
  O     17.44731088      9.55332667    -11.90834501
  H     15.57978599      6.71401265     -8.93084153
  H     12.69081004      5.74502333    -12.09472175
  O     15.11745912      9.85254447     -9.13611198
  H     17.01586695      7.22039449     -9.14113969
  H     10.17692984      9.68899268    -14.86374562
  O     13.03191419      6.35463265    -11.42855076
  H     17.93706547     12.20951936    -16.46711903
  H     11.65211019      9.86346846    -15.29271688
  O     11.04825810      9.31569274    -14.76082326
  H     17.93027071     10.96249614    -15.54932218
  H     15.04725496      7.91517690    -17.17943067
  O     14.44936637      7.21339737    -16.87757599
  H     17.74118858      7.11892073    -14.73456009
  H     14.98220048      6.40758733    -16.83530673
          69
 Energy    -248.02757699439678     
  O     10.51834533      2.86909295    -21.92105201
  H     11.09275028      3.61803815    -21.70813061
  H      9.45622015     -0.70669966    -21.92998854
  O     12.27378967      4.83548224    -21.18271360
  H     11.07902295      2.16590232    -22.27466031
  H     10.19238729     -2.32873104    -16.93869298
  O     10.47129371      5.80456699    -19.20050207
  H     12.88940454      4.90724560    -21.92229949
  H     10.76186295     -1.64528967    -18.20428459
  O     10.61431185      1.72584613    -19.35936439
  H     12.77906270      4.48187372    -20.43549525
  H     13.31061817      4.37288103    -18.28685789
  O     12.03136586      0.47995809    -16.14705130
  H     10.98174632      5.61651183    -19.99705247
  H     13.58704991      2.93060720    -18.77698180
  O     13.16463743      1.16353229    -18.56803025
  H      9.64066805      5.31114543    -19.26643453
  H     12.25174057      6.02068211    -16.59631702
  O     13.37274709      2.42602789    -24.65571611
  H      9.85490806      1.14710626    -19.22177772
  H     11.47118555      5.52546754    -17.84166273
  O      8.39774224      0.19026656    -18.53486708
  H     10.50648002      2.15790403    -20.21365677
  H     11.57851090      0.07985893    -22.62682701
  O     11.47655464     -1.89359855    -19.74287475
  H     11.52573542      1.30242575    -16.18003357
  H     12.92535371      0.70261442    -22.12839345
  O      8.06526498      0.08765820    -21.28370334
  H     11.43742630     -0.20778491    -16.47442776
  H     14.32105484     -1.20316077    -20.79873239
  O     14.15623876      4.64475587    -23.26460997
  H     12.27758608      1.25760316    -18.94948713
  H     14.95142848     -2.48908638    -20.24781106
  O     10.26962635     -1.14641475    -22.23581571
  H     13.01832184      0.85519547    -17.66503859
  H     15.03214797      3.47886702    -20.37389482
  O     10.30411864     -1.47973297    -17.35854762
  H     12.93383696      1.80615857    -24.05152296
  H     15.12430650      3.66370632    -21.89939940
  O     13.72397361      3.86400691    -18.99426834
  H     13.67578199      1.90202432    -25.39308173
  H      8.83587166      2.68765039    -16.79718804
  O     12.07880105      5.24962852    -17.12874562
  H      8.10843060      0.89813060    -17.94497485
  H      7.39543339      2.76113900    -16.23568541
  O     12.19266788      0.81448897    -22.75161263
  H      8.95937793     -0.41469439    -18.03088477
  H     11.10832745      3.70125282    -16.78454941
  O     14.13174337     -2.12890600    -20.57802639
  H     12.40511174     -2.04689625    -19.96380909
  H     10.64849628      2.57072596    -17.73862831
  O     15.44082867      3.11700866    -21.17119708
  H     11.04167670     -1.66373196    -20.57115910
  H     14.83528667      1.40196184    -21.14655735
  O      7.90265152      2.50080534    -17.00022291
  H      7.85111289      1.00196250    -21.50403502
  H     13.96035048      0.70193840    -20.07988345
  O     10.59705432      2.88413961    -16.82196681
  H      8.03384987      0.02948184    -20.31839365
  H      8.77245998      2.91780148    -21.95134174
  O     14.31738575      0.60316006    -20.97655469
  H     14.56009836      5.27683712    -23.85354560
  H      7.40752667      3.31892442    -22.56055332
  O      7.80838656      2.86775035    -21.82162829
  H     13.88064401      3.88757567    -23.80935742
  H      7.91626547      3.77837450    -20.12649216
  O      8.15205512      4.26107402    -19.32583937
  H      9.99673046     -1.88145569    -22.77922178
  H      7.96027043      3.67324749    -18.58753321
          69
 Energy    -248.02754246411723     
  O     -5.97036062      1.12748105     -0.32016879
  H     -5.29369066      1.81862942     -0.39308927
  H     -0.44959066      3.35638808      3.45727077
  O     -6.10030917      0.60826423     -3.11787859
  H     -6.20236679      0.91220178     -1.23138476
  H     -1.61938409      5.13880898     -0.22722636
  O     -5.78293125      2.05135797      2.39406656
  H     -6.79682190      0.58143513     -3.76799442
  H     -0.52424029      5.90053543     -1.00297112
  O     -0.25561852     -1.18554798      1.94836121
  H     -5.63089422     -0.24511042     -3.17400403
  H     -3.24866336      2.60857905     -0.19691026
  O     -2.32272059     -0.83926519      0.10466522
  H     -5.48959652      1.24887128      2.84269181
  H     -3.80737145      2.65229592     -1.64379175
  O     -4.64143604     -1.65195264     -3.18543202
  H     -6.04196553      1.78054973      1.50559180
  H      0.89257519      0.32174176     -0.81269723
  O     -4.97330326     -1.17748086      0.86465249
  H      0.30236790     -1.92089454      2.18786825
  H      1.08037281      1.30225032      0.35287965
  O     -2.08639500     -0.55113033     -2.61323243
  H      0.26209786     -0.63342985      1.33406783
  H      0.24976071      3.78659059      0.17500383
  O     -3.49198830      1.80025471     -3.20383975
  H     -3.21525764     -1.03205064      0.42073303
  H      0.66777226      3.29896195      1.59454468
  O      0.48269004      0.62084000     -2.65488882
  H     -1.68344876     -1.15796427      0.75361285
  H     -5.76165404     -3.96466765     -0.64466454
  O     -2.17596179     -0.06226312      3.79385010
  H     -3.70621595     -1.42670880     -3.10528783
  H     -5.19566043     -2.58826608     -0.25986784
  O      0.47023914      3.64556975      3.34436971
  H     -4.83582439     -2.29087128     -2.48527068
  H     -2.87828729      3.29909975      3.39563078
  O     -0.80200358      5.02572899     -0.74265801
  H     -5.35220520     -0.39750533      0.43226048
  H     -2.11362374      2.39488578      2.40503630
  O     -3.97114550      2.95877301     -0.74241653
  H     -4.98878179     -1.01428471      1.81565811
  H     -3.88011572     -0.32285970      3.65899428
  O      1.04677444      0.35910030      0.13864527
  H     -1.16880259     -0.28748779     -2.74808341
  H     -5.18410902     -0.78337345      4.35243287
  O      0.60800876      3.03555543      0.66408467
  H     -2.17830925     -0.71139660     -1.66151668
  H     -2.01551521      0.91929339      0.48772648
  O     -5.23842263     -3.23981877     -0.97705008
  H     -3.00220875      0.98318401     -3.02379289
  H     -1.03960128      2.14373324      0.58748957
  O     -2.13000406      2.69442990      3.32852229
  H     -4.40834287      1.52962348     -3.33647883
  H     -3.61207613      4.55967530      0.02279639
  O     -4.84305005     -0.41213195      3.54322034
  H      1.15306742      0.62520937     -3.33336517
  H     -3.52083935      5.05829148      1.46612162
  O     -1.95113703      1.85413810      0.71999450
  H      0.05380385      1.49531802     -2.68268567
  H     -4.95661501      4.84728627      3.60442552
  O     -3.18139136      5.22537295      0.58083951
  H     -2.09312430      0.90133827      3.76583275
  H     -4.93713716      3.53477635      2.79025323
  O     -4.39957312      4.30314186      3.05413903
  H     -1.47984225     -0.41700695      3.22938138
  H     -1.80928060      2.75566420     -3.02414949
  O     -0.90182151      2.95853730     -2.76581882
  H      0.89642740      3.50849128      4.18650854
  H     -0.94144838      3.67851494     -2.12625380
          69
 Energy    -248.02748897427239     
  O     13.75499724      8.84937668     -9.72483293
  H     13.16190426      8.85179066     -8.97840163
  H     13.62728592      6.65695706    -16.96847023
  O     14.71688192      5.33927300    -12.73243999
  H     14.13187246      7.95277057     -9.78303885
  H     17.55352473      6.48875620    -15.39983902
  O     15.61140010     12.14090583    -12.29745679
  H     15.23859925      6.14642146    -12.83325157
  H     17.25691884      5.03116751    -15.04631329
  O     17.69291229     11.78403632    -14.29198580
  H     15.02129513      4.74677112    -13.43062224
  H     15.88967484      9.66598225    -15.82113704
  O     11.02689673      8.21340659    -15.77313116
  H     14.81758081     12.00152632    -12.82906586
  H     16.36782557     11.08828023    -15.42957148
  O     17.54156381      7.06477726    -10.62664981
  H     16.34293170     12.14585101    -12.92504024
  H     15.24238760      8.36021924    -12.64228235
  O     12.62889621      6.81243808    -13.89235642
  H     18.05968241     11.01303635    -13.82669262
  H     16.50311315      7.64087824    -12.01958840
  O     13.58414652     11.24360933    -14.03641335
  H     18.42869028     12.35104917    -14.50867805
  H     14.69194458      5.84744784    -10.81847451
  O     13.43279201     10.28429753    -17.56711412
  H     11.41521963      7.65967797    -15.08389344
  H     15.86127780      6.51450484    -10.07430434
  O     15.51393989      4.12619075    -15.16809699
  H     11.45433968      7.95344972    -16.59841641
  H     17.62642878      9.04505594    -12.95787761
  O     16.23469086      7.91507763    -15.60019818
  H     17.90225499      7.88659774    -10.27089628
  H     18.59419968      9.66957496    -11.93695137
  O     14.06727120      6.24499162    -16.21418778
  H     18.18323497      6.74425980    -11.28064821
  H     18.86067421      6.23670532    -13.51924825
  O     17.95128617      5.69826552    -15.01488785
  H     12.85488911      7.63176329    -13.42577990
  H     19.31529918      7.59274202    -12.94818075
  O     15.63536194     10.60071411    -15.82513770
  H     13.12601577      6.12474019    -13.43178916
  H     17.60487740     10.04422684     -9.99724959
  O     16.07932137      7.91864583    -12.84409116
  H     14.28387991     11.01688758    -14.66736443
  H     19.02673976     10.04157492     -9.37527393
  O     14.89958971      6.40203822    -10.05791313
  H     12.75624059     11.24714554    -14.53183068
  H     12.42893609      7.65516621    -19.01537449
  O     18.44385590      9.55511396    -12.88576256
  H     14.25472556     10.47756761    -17.09785023
  H     12.99850786      8.64981238    -17.97542632
  O     19.23463773      6.65913068    -12.73153073
  H     12.72250334     10.64168064    -17.02002035
  H     15.82411377     11.18220208    -10.79251449
  O     18.49873063      9.65749956    -10.06877856
  H     15.37392184      3.29454367    -15.61423389
  H     15.22399386     10.07428735     -9.87409957
  O     12.67574047      7.73860767    -18.09844846
  H     14.99952106      4.79388538    -15.65183365
  H     10.50961632     11.35510626    -15.80141657
  O     16.01139232     10.60258070    -10.03852530
  H     16.20872253      7.87754039    -14.63179695
  H     11.16259359      9.95890995    -15.66142244
  O     11.34739303     10.91468538    -15.68732313
  H     15.50295906      7.36662725    -15.91272489
  H     13.51980663      9.83886018    -12.92274448
  O     13.55693129      8.97567541    -12.48935950
  H     13.54047884      6.46331335    -15.43093460
  H     13.48282736      9.07950833    -11.53268072
          69
 Energy    -248.02737772335149     
  O     10.41220448     10.91334177    -12.86985971
  H     11.19337800     10.96032625    -13.44531757
  H     18.90435885      8.07655105    -16.13067883
  O     14.48117073      6.53738130    -14.64097156
  H      9.79628571     11.55661179    -13.21028965
  H     15.28081155     11.02404820    -16.18300972
  O     16.87569183     11.46132177    -10.87410200
  H     14.28210526      6.30826025    -13.72079212
  H     14.19027072     10.33789392    -17.03771099
  O     18.40227353      9.24358514    -17.52932741
  H     13.73681950      7.06319641    -14.96114781
  H     16.32770229      9.26751886    -14.46441507
  O     12.35908433      8.22888478    -15.25879822
  H     16.70119262     10.63142161    -10.39547165
  H     15.43777047      8.00714667    -14.16070200
  O     13.82898526      6.17348129    -11.99770604
  H     17.04225327     12.12938089    -10.21442558
  H     10.59744604      9.63899292    -11.67768857
  O     14.62589761     10.64163286    -12.35721674
  H     18.83258079      9.51178017    -18.33603471
  H     10.03297710      8.87954844    -10.45440215
  O     16.24112401      7.69611189    -17.97150820
  H     17.62094954      8.71838248    -17.78397475
  H     18.40450318      7.80451140    -12.05209267
  O     16.26489482      5.16977677    -11.18420500
  H     12.47889493      9.12636013    -14.91915309
  H     16.93685035      7.96466135    -12.47660184
  O     16.96293346     10.59579860    -15.52919056
  H     11.85648714      7.74303911    -14.58781921
  H     10.99553069      7.53083999    -12.41880527
  O     16.72515947      5.74106112    -15.95885914
  H     13.78052472      7.01906105    -11.52924412
  H     12.06137937      6.46464918    -12.70601471
  O     18.96417987      7.47119329    -15.38111842
  H     14.60227476      5.70578985    -11.65317715
  H     17.97203441     11.19907397    -12.44092099
  O     14.36831917     11.11218675    -16.49285998
  H     15.09332698      9.96279246    -12.87125373
  H     18.96225765     10.22330717    -13.11788903
  O     15.94957334      8.72014924    -13.76267232
  H     15.30532548     11.12227426    -11.87166801
  H     19.54725644      8.11088044    -13.87999983
  O     10.75666104      8.89141282    -11.07555165
  H     16.36081995      6.94593777    -17.37556157
  H     20.77385814      8.38931211    -12.97896862
  O     17.50448280      7.57249380    -11.79539595
  H     15.31734256      7.96548650    -17.90132950
  H     15.31520585      8.83565865     -9.87727692
  O     11.29798026      6.91189223    -13.09419681
  H     16.78700883      5.96185369    -11.39050566
  H     16.73441074      8.46908142    -10.36113757
  O     18.44833906     11.02726001    -13.26198342
  H     16.64774812      4.80172141    -10.39146982
  H     12.92329404      8.58339505    -18.42756202
  O     19.82824624      8.49757529    -13.03016994
  H     17.52311949     10.87995751    -14.79023645
  H     13.05553378      8.41932769    -16.90035871
  O     16.24864824      9.05077449     -9.75966218
  H     17.53427637     10.23841249    -16.21949080
  H     12.60118998      8.73810227    -10.70141242
  O     13.55630934      8.59829620    -17.71300143
  H     16.79524063      4.78993946    -15.98713194
  H     13.88091062      9.38655666    -11.27123616
  O     13.56262297      8.65733573    -10.71917876
  H     15.91010656      5.94398710    -15.46937836
  H     13.23762072     11.08878855    -15.12098653
  O     12.73093010     10.86060049    -14.32758926
  H     18.24165197      6.84238014    -15.49205738
  H     13.35612553     10.88226720    -13.58865266
          69
 Energy    -248.02725822255377     
  O     -7.10585136     -1.64641596      6.35030912
  H     -7.62318845     -0.92661591      6.73216233
  H     -8.64372776     -1.79338388      0.29237663
  O    -10.46567555     -2.23514062      3.53078747
  H     -6.21745600     -1.30237588      6.20288240
  H     -3.94413995      1.25796318      1.88350159
  O     -8.12947249     -3.48250368      4.63716537
  H     -9.75719332     -2.76892030      3.90793718
  H     -4.78014896      0.39810758      0.89814768
  O     -6.37031468      0.39337979     -0.16796942
  H    -10.45746986     -1.41315746      4.04069949
  H     -7.30194170     -0.48504656      3.09730828
  O     -5.63861982      1.71892622      4.77159436
  H     -8.06641860     -4.34359005      5.04119341
  H     -6.94481889      0.85151751      3.82767893
  O     -4.88528857      4.45130451      0.80407535
  H     -7.79169245     -2.84174239      5.28926509
  H     -4.29940487     -0.98497656      4.88892611
  O    -11.09184331      1.39451102      0.97424212
  H     -6.75052909     -0.48935660     -0.23708563
  H     -3.74751008     -0.84400863      6.33017468
  O     -8.69303536      0.50730643      7.33468418
  H     -7.06840459      0.94836257      0.21044505
  H     -9.35606561      5.25605529      4.39535012
  O     -4.13468301     -1.53313348      3.28139441
  H     -5.16471435      0.97537691      5.16883821
  H     -8.47802176      4.36487787      3.48938408
  O     -4.47792733      2.32014921     -0.84456223
  H     -5.04148654      2.16450932      4.15956563
  H    -10.42158180      3.07972730      3.74053557
  O     -9.96766871      0.18715126      4.83856458
  H     -4.78410391      3.74442941      0.14232549
  H    -10.78156043      1.61087161      4.03816392
  O     -7.75835324     -2.08030950     -0.00266711
  H     -4.65660524      5.26815169      0.36806095
  H     -7.08773375     -2.26381931      1.71222763
  O     -3.91501046      0.46966353      1.32782464
  H    -11.85656254      1.71320416      0.50331550
  H     -7.25028752     -2.73235127      3.20417025
  O     -7.63545889      0.38984159      3.33533506
  H    -11.14510598      1.75986784      1.87636165
  H    -10.31494420     -1.69259553      1.82389294
  O     -4.48275572     -0.60993230      5.77078510
  H     -9.01733071      0.66862373      8.21625789
  H    -10.53599352     -0.44523485      0.93091196
  O     -9.08422393      4.35297881      4.25104921
  H     -8.36522108      1.35992555      6.99434624
  H     -8.25181056      3.33247356      5.60511056
  O    -11.02521633      2.37100562      3.49047853
  H     -3.90443586     -0.90185356      2.58765327
  H     -6.95689716      2.50827170      5.76327650
  O     -6.74016024     -2.16890235      2.60770347
  H     -5.00526212     -1.87651467      3.03339442
  H     -4.25569447      3.50846313      2.22466463
  O    -10.14009425     -1.32251672      0.94528490
  H     -3.82789516      1.79557032     -0.36485705
  H     -3.03713981      3.22739400      3.12839516
  O     -7.76027418      2.78284898      6.22703320
  H     -5.24836431      1.73417311     -0.87589546
  H     -9.27895563      1.71474870      0.92967525
  O     -3.90037295      2.89673507      2.88784372
  H     -9.68906726      0.24911987      5.75877206
  H     -8.14446437      1.31027681      1.91477325
  O     -8.33636026      1.81490380      1.10759492
  H     -9.15731318      0.24854255      4.30860131
  H     -7.80480044      3.43126148      1.65972641
  O     -7.47731612      4.24632462      2.06971297
  H     -7.89328281     -2.76354114     -0.65314260
  H     -6.63005215      4.42302304      1.65233851
          69
 Ord_Energy   -248.027237    
 O   0.113110602       8.58986473       2.15180492    
 H  -0.825974226       8.40933037       1.96996903    
 H   0.198624775       9.53847694       2.20912671    
 O   -3.68687201       3.64806128      0.566603005    
 H   -3.19627500       2.94124413      0.129878491    
 H   -3.33203506       4.47055244      0.203069985    
 O    2.71767640       1.43636715       4.52799368    
 H    3.17742014      0.638632178       4.77799225    
 H    1.86656237       1.42647898       5.00194740    
 O   -1.93581402       1.75191629     -0.633682907    
 H   -1.26707447       2.30646849      -1.07873893    
 H   -2.09965658       1.00758779      -1.20542085    
 O   -4.07416630       3.67131233       3.24379230    
 H   -3.95787668       3.63278699       2.27679014    
 H   -4.99629688       3.50010371       3.41511226    
 O    1.39610207       7.05544996       8.82968232E-02
 H    1.79447770       6.34344959      0.607535541    
 H   0.977759778       7.63961458      0.732238173    
 O   0.389519364       1.59265804       5.92180824    
 H   0.504292607       2.30902934       6.55836535    
 H  -0.410615057       1.80467010       5.42294502    
 O   -2.47337437       7.94494629       1.69460106    
 H   -2.66741800       7.38734674       2.46154547    
 H   -2.51808047       7.36035872      0.926146924    
 O   0.955070376       3.97916675       7.41463709    
 H    1.14916956       4.15245581       8.33131313    
 H    1.80426359       3.99682736       6.93621397    
 O    3.46692681       6.09464741       4.16928005    
 H    4.13071728       6.77858877       4.18605328    
 H    2.60593390       6.52806425       4.32346916    
 O   -2.60987568       6.03083658       3.72040176    
 H   -2.06162858       5.82473755       4.48932981    
 H   -3.20818925       5.28231430       3.59308386    
 O    2.53948951       2.49552846     -0.844721079    
 H    2.50123405       2.33595657      0.110438079    
 H    3.43130541       2.78419161      -1.02453089    
 O   -2.83273007E-03   3.26171947      -1.71795416    
 H    7.04707019E-03   4.21396446      -1.86370587    
 H   0.897287130       3.00436902      -1.47436273    
 O  -0.593433738       2.22766733       1.76826286    
 H   -1.05365431       1.90458012      0.984967530    
 H  -0.663825035       3.19659495       1.74838769    
 O   -1.66209245       2.58347154       4.27975225    
 H   -1.25705349       2.33149838       3.43658996    
 H   -2.56152534       2.85343218       4.05996704    
 O  -0.660420179       4.96146870       1.89162648    
 H   -1.18061340       5.38110781       2.58635712    
 H   0.274299204       5.17245579       2.01203156    
 O   -3.32789198E-02   6.10713434      -2.01701069    
 H   0.183992222       6.60513210      -2.80011034    
 H   0.509930015       6.46980333      -1.29417849    
 O    1.00597966       7.10553122       4.42468452    
 H   0.375596374       6.43368244       4.71301079    
 H   0.620211422       7.58815765       3.68335724    
 O  -0.669799209       5.00872517       5.37937212    
 H  -0.170018598       4.76396513       6.16774464    
 H  -0.935539305       4.17594147       4.96472836    
 O   -2.19545984       5.89228296     -0.220813379    
 H   -1.61091053       5.55118942      0.475434393    
 H   -1.62365782       6.02204227     -0.985585570    
 O    3.20625210       3.89850926       5.91829252    
 H    3.17279601       3.09488368       5.38558197    
 H    3.36986279       4.63148689       5.31136703    
 O    2.15244055       2.27460074       1.90905237    
 H    1.19181919       2.15262461       1.85634089    
 H    2.42640901       1.95327520       2.77606893    
 O    2.15403843       5.07321262       1.89575863    
 H    2.66753888       5.39255857       2.64720893    
 H    2.23585391       4.11109304       1.87791777    
          69
 Energy    -248.02723413693204     
  O     16.98302451     10.12077090    -10.32155145
  H     16.46854013      9.43173346     -9.87028473
  H     12.40783515      7.67589422     -9.52351611
  O     13.82209144      5.04884111     -8.32654392
  H     17.05355879     10.86558934     -9.71395632
  H     13.09707027      8.98590040     -7.57726730
  O     17.13073636     12.06067659     -8.33349777
  H     13.05350233      5.26157047     -8.86990929
  H     13.67676753      8.16562257     -6.40959938
  O     11.81849969      5.96973177    -10.08402946
  H     14.57820286      5.09621854     -8.92723883
  H     18.26116673      4.42885234    -11.79175755
  O     15.65942939      9.85162202    -12.73347837
  H     17.02128961     13.00620972     -8.29114278
  H     18.06028558      3.03958402    -12.41501960
  O     18.90221571      8.28166655    -11.05076469
  H     16.51120878     11.67539782     -7.68546468
  H     16.81766457      5.44763478    -10.10937973
  O     20.52446371      8.52832454     -8.76950984
  H     12.27580073      6.04784906    -10.94119111
  H     15.66836425      5.62293702    -11.11580275
  O     18.63332092      5.53274767    -10.36422030
  H     10.93544309      5.66350339    -10.27123377
  H     17.35864181      8.59131895     -5.70318732
  O     13.12069937      6.44950369    -12.40524600
  H     16.10162638     10.10130052    -11.90888859
  H     17.85736885      9.05644031     -4.31386151
  O     15.59803035     10.87033778     -6.47887083
  H     16.26076304      9.23387647    -13.16324146
  H     18.15524511      8.01725819    -12.67810249
  O     13.09258623      9.29502242    -12.12794538
  H     19.58702974      8.34429200    -10.37269253
  H     18.22033143      7.82274123    -14.20731824
  O     12.82190156      8.54100044     -9.40820583
  H     18.25241030      8.96176246    -10.81532404
  H     15.69284585      7.23330959     -9.55394949
  O     13.48602709      9.06605052     -6.69709648
  H     21.46158296      8.64504838     -8.63697254
  H     14.64191554      8.29221941     -9.13320921
  O     17.88553843      3.96672813    -12.55802091
  H     20.08127499      9.23418848     -8.26499708
  H     18.79980113     10.08424731     -6.52325660
  O     15.86135283      5.56843902    -10.17139813
  H     18.70008633      6.43940493    -10.69153427
  H     18.62157599     11.04816232     -7.70765126
  O     17.68102429      9.35956235     -5.20034734
  H     18.86396866      5.58027380     -9.42428883
  H     14.05195639      5.83787878     -6.81092940
  O     17.61315684      7.89363965    -13.47413081
  H     13.98285980      6.16093609    -12.72930715
  H     13.83019952      5.82667973     -5.28080361
  O     15.58942660      8.10991449     -9.15846348
  H     13.12815816      7.41519022    -12.41784494
  H     18.31993864      6.52611790     -7.34807679
  O     19.23211291     10.40775759     -7.32393047
  H     16.22472822     10.42622393     -5.89664287
  H     19.64297358      6.99320596     -7.99570637
  O     14.22052489      6.33246562     -5.98805834
  H     14.82591486     10.29076362     -6.54560492
  H     16.38556998      7.72462102     -7.56241969
  O     19.12968122      6.20782242     -7.76737312
  H     12.53126115      9.87860896    -12.63186757
  H     15.94553165      6.88893623     -6.35083210
  O     16.71170291      7.32863920     -6.74101370
  H     14.00981003      9.51898938    -12.36569348
  H     16.42571168      5.01525209    -12.95328771
  O     15.80028362      5.75472586    -12.97371360
  H     12.87997174      8.92541503    -10.29263120
  H     16.33337828      6.53104285    -13.18640629
          69
 Energy    -248.02716234873014     
  O     16.13957660      9.41389156    -16.76810555
  H     16.63810237      9.59268840    -15.96218537
  H     19.25861599      3.39564088    -14.93702538
  O     17.78012921      5.75804884    -11.65308625
  H     15.60688871      8.62939944    -16.58798485
  H     18.65460276      7.30460431    -17.71434051
  O     19.54149627      4.20048038    -17.93787283
  H     18.66217305      5.69838790    -12.03899716
  H     19.44052994      5.98666261    -17.43155082
  O     16.83971091      3.96177915    -18.31020249
  H     17.31505074      6.44678705    -12.15502627
  H     17.88694938      6.17277757    -15.92713886
  O     13.20471830      6.77191263    -11.05120620
  H     18.58552268      4.07753080    -18.07613025
  H     17.08742419      6.41228500    -14.60622831
  O     14.21935275      4.00407225    -13.93984063
  H     19.97485705      3.85250859    -18.71280807
  H     13.97564264      3.32181956    -10.44952770
  O     16.46748623      7.51309070    -13.24873934
  H     16.33517086      4.70615403    -18.66197559
  H     14.52324119      2.42693327     -9.30952482
  O     17.43947558      3.14743357    -14.72869903
  H     16.24878733      3.51407472    -17.69497959
  H     15.64160221      6.41925902    -16.11773442
  O     12.73747735      3.97637733    -11.51370442
  H     12.77169474      7.38826183    -10.46652974
  H     14.27518806      6.93564218    -15.62104325
  O     19.72465848      8.07069061    -14.64439590
  H     14.04931265      6.53241878    -10.62993811
  H     20.20999175      5.03816489    -13.84087695
  O     15.26173069      2.62841563    -16.26514144
  H     14.40444935      3.58341135    -14.78624162
  H     21.09434226      5.59751245    -12.70896371
  O     20.09617546      3.83757997    -15.13503854
  H     14.98314352      3.83134789    -13.36992212
  H     15.92648773      3.16299580    -11.42159789
  O     19.17792014      6.83151052    -17.04867834
  H     15.52872889      7.39052457    -13.43914193
  H     16.89551942      4.23076483    -12.00056119
  O     17.18754567      5.81830422    -15.36132195
  H     16.75028220      8.38187236    -13.56198004
  H     15.33257204      4.92748094     -9.74992117
  O     14.77752696      3.08610186     -9.94897979
  H     17.37054871      4.08662799    -14.97407512
  H     16.37295095      5.90644771    -10.32782240
  O     14.82970698      6.86419223    -16.40656945
  H     17.16860290      3.07977801    -13.80267108
  H     14.98935504      6.46182733    -18.14481456
  O     20.22979363      5.67573214    -13.10618784
  H     12.71765584      4.92628647    -11.34040335
  H     14.51699986      6.34614441    -19.61105392
  O     16.39019415      3.43401776    -12.22204905
  H     13.05156974      3.88349202    -12.42273943
  H     13.49559192      6.88227031    -12.89363328
  O     15.51100283      5.86509953     -9.89629751
  H     19.66915711      7.70541466    -15.54011743
  H     13.94315683      5.79046747    -13.89098623
  O     15.26979409      6.21010252    -19.04107991
  H     19.92379710      7.32574599    -14.06708269
  H     17.93693374     10.62497028    -14.05620680
  O     13.83106154      6.74864031    -13.78887202
  H     15.08001452      1.70295972    -16.41403567
  H     18.44828004      9.21610685    -14.44860859
  O     17.64770817      9.76316282    -14.34280360
  H     16.08309399      2.67132307    -15.74342470
  H     16.78987971      7.46098399    -19.06010712
  O     17.48484617      8.06864257    -18.78551751
  H     20.08329580      3.95656350    -16.09156029
  H     17.06001251      8.68528210    -18.16929233
          69
 Energy    -248.02710906852630     
  O     16.68981005      9.84448452    -15.14289164
  H     17.46596422      9.29008493    -14.97926957
  H     14.03170025     12.12995276    -12.93205259
  O     15.21154087      7.42185857     -8.96492726
  H     15.96629451      9.28362077    -15.45589470
  H     13.37044726     11.22394434    -10.82491530
  O     16.93815425     12.49305101    -15.65064555
  H     15.41107887      6.98080257     -8.14421743
  H     12.75930767     11.63052683     -9.46376918
  O     12.82692266      8.22796880    -10.31766489
  H     15.49904168      8.34803281     -8.86675017
  H     15.80110461      5.22086220    -14.47533761
  O     14.56842700      8.22883131    -15.80597170
  H     16.86306918     12.66290553    -16.58586610
  H     16.36289781      3.86864782    -14.96291197
  O     18.89132050      8.36211455    -14.42270818
  H     16.83748440     11.53225419    -15.53026389
  H     15.93553405      8.14621176    -11.90699316
  O     19.92163388     10.40947311    -12.70976397
  H     13.55118841      7.82885607     -9.82095426
  H     15.79188243      7.17639597    -10.69988963
  O     18.26761100      6.17227219    -12.89979627
  H     12.89731308      9.17580604    -10.15328152
  H     17.56496879      5.93205421    -15.96060885
  O     12.07096910      7.22689356    -12.73028439
  H     14.86856198      7.86973336    -16.65419662
  H     18.42961093      7.20901108    -15.92972602
  O     15.25088796     13.29518837    -13.48445930
  H     14.58553924      7.51335454    -15.15717564
  H     17.45306241     14.09493859    -10.77555727
  O     12.59133580      9.57659589    -14.31286777
  H     19.32763469      9.02444129    -13.87486257
  H     17.46360051     12.61375058    -11.21752093
  O     13.52525569     11.40957512    -12.52780074
  H     18.73762790      7.59061392    -13.85434580
  H     16.62184532      7.04491751    -17.59256369
  O     13.35656663     11.01088553     -9.87468506
  H     19.65390709     11.24636698    -13.13050404
  H     15.95503770      7.14860563    -18.97677762
  O     16.60543613      4.77412366    -14.78562975
  H     20.85884567     10.47438757    -12.54270860
  H     16.13188845      9.85259302    -13.43420103
  O     16.02566622      7.22079405    -11.63368956
  H     17.83710052      5.53683055    -13.48358644
  H     14.98387542     10.30726067    -12.49267113
  O     17.96445135      6.60837544    -16.52321819
  H     17.56321100      6.51415106    -12.33057022
  H     18.38502901     12.72315122    -14.47094436
  O     17.34147256     13.52490804    -11.53209267
  H     12.33155998      7.57414252    -11.85852327
  H     18.51735214     13.17858914    -13.00836400
  O     15.78834304      7.26090359    -18.04555008
  H     11.19747985      6.85835770    -12.62647986
  H     17.02937061     10.49395577    -11.47557808
  O     15.80969450      9.80964526    -12.52408402
  H     15.75354154     13.09981884    -14.28452091
  H     18.55936976     10.62089024    -11.34546001
  O     19.00107685     12.75438818    -13.72790528
  H     15.90759220     13.46813828    -12.79868780
  H     15.06685867      6.56050949    -12.99380472
  O     17.73160279     10.86118230    -10.91360522
  H     13.21791214      9.22724399    -14.96016624
  H     13.61170448      6.46473174    -13.48153740
  O     14.52147470      6.27734212    -13.74388903
  H     12.30646636      8.81211077    -13.79774450
  H     16.58927059     10.35894715     -9.47027427
  O     15.86832510     10.04733431     -8.90969589
  H     13.11634541     10.86662043    -13.21853285
  H     15.06096492     10.47969034     -9.21886647
          69
 Energy    -248.02706246569585     
  O     -5.18083031      3.89582436     -2.29762564
  H     -5.25832322      3.59887046     -1.37477665
  H     -6.03147198      0.87110348      2.27990841
  O     -2.75356906      3.31611692     -3.60111206
  H     -5.72235816      4.67835652     -2.37109628
  H     -3.91425718      1.22787499      3.41477108
  O     -5.32790833      2.86058088      0.22293339
  H     -3.56789525      3.55734990     -3.13061621
  H     -4.00687647     -0.07841171      2.60032813
  O     -2.98796757     -1.02830786      1.42303595
  H     -2.78546062      3.76438847     -4.44354872
  H     -0.39351684      0.75364344      2.11644913
  O     -0.24510349     -0.31797901     -1.52994724
  H     -5.99857213      2.38334206      0.72538430
  H      0.61897450      1.89396068      2.32487388
  O     -3.46767950      0.63640115     -3.01515157
  H     -4.63323633      2.20936469      0.03425644
  H     -2.02382390      3.70219422      0.80326644
  O     -4.36410603     -2.54304313     -0.46481982
  H     -3.39050299     -1.67984665      0.83319076
  H     -0.90192838      2.67087684      1.11456794
  O     -2.36236100     -1.81880766     -2.40341461
  H     -2.02863647     -1.14370515      1.40493042
  H      2.65730357     -0.74784659      0.37461140
  O     -0.43459566      2.52407006     -2.07007102
  H     -0.42728855      0.58694749     -1.80605339
  H      3.29136317     -1.48083618      1.58172340
  O     -0.23632085     -0.83432514      1.18189789
  H     -0.93827841     -0.89499081     -1.88379093
  H      2.26999326      2.24796405      0.65373591
  O      2.53226721     -0.28602256     -1.30547478
  H     -3.16086310      1.45583033     -3.41650023
  H      2.48384923      1.03743288      1.58110997
  O     -6.81979781      1.05403229      1.73560705
  H     -3.38898866      0.76837906     -2.05565413
  H     -5.32213280      0.79687419     -2.98779730
  O     -4.53658377      0.56898474      3.08704861
  H     -5.07727799     -1.88036233     -0.52072861
  H     -6.12879856      2.04346484     -2.66129732
  O     -0.30227294      1.64122342      2.48871711
  H     -4.78601082     -3.39799651     -0.45549474
  H     -2.34001340      2.73746259      4.74162307
  O     -1.35427405      3.13299083      0.39691014
  H     -3.01028357     -2.16842600     -1.78088373
  H     -1.72924205      2.18228850      3.43878751
  O      2.59399659     -0.87841363      1.33853992
  H     -2.79245322     -1.05752460     -2.81973966
  H     -6.53145003     -0.11798138      0.23439733
  O      2.24630534      1.97391370      1.57830777
  H     -0.71899131      2.82630011     -1.19116993
  H     -6.36153703     -0.04957135     -1.30132841
  O     -6.21277325      1.09011072     -2.74643539
  H     -1.11767128      2.81913653     -2.68063511
  H     -2.53498146      1.80447108     -0.05616785
  O     -2.55664993      2.48784491      3.84617355
  H     -0.27479841     -0.64490182      0.23124790
  H     -3.15998278      0.41627732      0.29310560
  O     -6.27657435     -0.63592588     -0.53658954
  H      0.69299199     -0.99934300      1.38032442
  H     -3.23698220      3.75538369      2.54959942
  O     -3.22010764      1.17115675     -0.30566423
  H      2.62657092      0.67127475     -1.38138604
  H     -4.17795162      3.89650362      1.33036399
  O     -3.41235757      4.29281750      1.76642925
  H      1.60177564     -0.45714573     -1.51270844
  H      1.33468738      2.58541426     -1.63669596
  O      2.23632951      2.56500623     -1.27807321
  H     -7.57548015      0.98633604      2.31212350
  H      2.70320749      3.29436933     -1.67932440
          69
 Energy    -248.02663869418018     
  O     14.19966977     12.48387601    -14.92825461
  H     15.15841289     12.50154000    -15.02347461
  H     12.87433492      6.56473649    -14.57548108
  O     13.89192391      7.12210066    -13.12773522
  H     13.88977521     11.76771776    -15.50091016
  H     16.31019464      9.90151368    -17.65232127
  O     17.84478686      8.48203391    -11.74589464
  H     14.33642894      7.78153260    -13.68520854
  H     17.43420087      9.47987878    -16.70226037
  O     17.71679059      8.03565836    -15.62974459
  H     13.57849888      7.59958755    -12.34995137
  H     16.05010593      8.66117240    -15.02935491
  O     11.11464735      9.06886741    -15.33649971
  H     17.75198384      8.52515504    -10.78683133
  H     14.68104837      9.41072551    -15.20598589
  O     15.70562288     10.69389627     -8.50653083
  H     17.45788313      9.29145758    -12.11039499
  H     12.33975488     13.31412446    -12.55266947
  O     13.30787221      8.67920530    -10.88502134
  H     17.48296479      7.09999087    -15.60779897
  H     13.32174234     12.52525541    -13.45172615
  O     16.59519351     10.66337183    -12.92274573
  H     18.47407751      8.14376397    -15.03626478
  H     11.93665226     10.81441386    -12.74330113
  O     14.75410146      6.51892427    -16.98331880
  H     10.18552901      9.18647598    -15.51536263
  H     12.01580405      9.41722740    -12.09622543
  O     15.18652452      6.88895905     -9.86542031
  H     11.25553755      9.33349795    -14.40944879
  H     19.16383772      8.29450862    -12.95734481
  O     16.77099723      5.43455633    -15.16695568
  H     15.02898790     10.86651567     -7.85616851
  H     20.61660464      8.35034698    -13.46391784
  O     12.46111087      6.53635325    -15.45011558
  H     15.32635338     10.95469316     -9.36172610
  H     16.88546433      6.93063298    -12.29247579
  O     17.03911124     10.25391236    -17.12982582
  H     13.86197453      8.04296396    -10.40910997
  H     15.46793524      6.42204029    -12.70094127
  O     15.26301665      8.97941360    -14.56783156
  H     13.79825002      9.51149156    -10.89425870
  H     16.79579055      9.34686275     -8.76581685
  O     12.81929139     12.49281460    -12.61688413
  H     16.91704516     11.30240187    -13.56809629
  H     17.91678907      8.42557894     -8.23016656
  O     11.59047760      9.91565740    -12.80436807
  H     16.03491661     10.05750882    -13.43586742
  H     14.84425258      7.98673467    -17.88479764
  O     19.71530685      8.24097619    -13.75439340
  H     15.39732190      6.07678065    -16.42164033
  H     14.69924522      8.66006874    -19.26907624
  O     16.37562126      6.13742532    -12.50505852
  H     13.90759871      6.46964279    -16.51234491
  H     14.01569840     11.70980349    -11.45521160
  O     17.34144697      8.56965368     -8.97699103
  H     15.57482658      6.40278947    -10.60044794
  H     15.40350429     11.05141583    -11.64143690
  O     14.82879116      8.84727647    -18.34359344
  H     15.91552605      7.38002559     -9.46729264
  H     17.64146898     12.90653101    -15.53066127
  O     14.68210106     11.17395386    -11.00744207
  H     16.66327985      5.59684391    -14.21541933
  H     17.03857150     11.54571015    -15.93852828
  O     17.04188652     12.22448863    -15.24005061
  H     17.10542295      4.54515910    -15.25289038
  H     12.61873399      9.80205147    -16.10022984
  O     13.46353424     10.20761854    -16.33656894
  H     11.90377790      7.32201145    -15.48460052
  H     13.80253039      9.77572437    -17.13132252
          69
 Energy    -248.02660113540219     
  O     12.85803955     10.84023972    -11.30398190
  H     12.79219829     11.78936920    -11.35610654
  H     15.48725778      7.24289881    -14.10729045
  O     10.87658324      5.27099411     -9.95991944
  H     12.77381211     10.49892477    -12.21433871
  H     14.01399643      6.09187394    -13.23609856
  O     16.86405266      4.95281676    -12.40957028
  H     10.29255037      5.78707901    -10.52816649
  H     12.52935286      6.54315790    -13.11171810
  O     14.14362177      5.04861385    -16.37519635
  H     11.23051573      4.56255782    -10.51553602
  H     11.79132345      8.19605986    -10.05660048
  O     14.64346868      2.77256990    -10.60474212
  H     16.74906941      4.02117517    -12.63652266
  H     11.60525480      9.61820276    -10.60498689
  O     15.43460037      8.87450746    -13.38076093
  H     16.40387868      5.09193439    -11.57009506
  H     18.12360968      6.34733500    -12.14459913
  O     11.40846266      5.14002606    -15.50380152
  H     14.49605075      5.29300660    -17.22709073
  H     18.17792049      7.40862027    -11.03245206
  O     17.09484043      7.81521446     -9.50108052
  H     14.64701904      5.54830906    -15.70933923
  H     12.39695045      6.23191200     -9.76740110
  O     14.21960450      2.64826450    -14.85461677
  H     15.19437572      2.52262431    -11.35764642
  H     13.23552124      6.60240341    -11.00371935
  O     11.46178162      2.61209194    -14.13070436
  H     15.06600268      3.54304296    -10.20708979
  H     16.65084126      1.52870676    -13.21540344
  O     12.30101423      3.62461489    -11.75657503
  H     15.27808363      8.85366944    -12.42883526
  H     15.46392256      2.40975514    -13.67243598
  O     15.45195987      6.30665925    -14.35025996
  H     16.35542323      9.14925175    -13.50841070
  H     16.23797327      6.10251360     -9.62105411
  O     13.24611440      6.08076529    -12.65506605
  H     12.29248090      5.14288064    -15.89186996
  H     14.75240026      5.77312267     -9.84413021
  O     11.11907284      8.84158038    -10.30238814
  H     11.31166954      4.27573666    -15.08647721
  H     18.36244957      8.55697297    -12.98933592
  O     18.55048235      7.17577538    -11.89157393
  H     17.40338300      8.27433984     -8.72351697
  H     18.91110364      9.57976047    -14.00173433
  O     13.15437804      6.76704329    -10.04802897
  H     16.35784730      8.33688367     -9.85978712
  H      9.97790559      7.84928395    -11.19169439
  O     16.15693933      2.31377966    -12.99470373
  H     13.28738732      2.51766042    -14.64315583
  H      8.55257007      7.38268928    -11.56969329
  O     15.64098643      5.39926183     -9.90507622
  H     14.24646080      3.39957122    -15.45943041
  H     14.23345912      9.71475530    -10.72536064
  O     18.11631693      9.31415027    -13.54820661
  H     10.81450536      1.91747836    -14.04332755
  H     14.24794905      8.22509140    -10.30588418
  O      9.47646628      7.17385339    -11.68343015
  H     11.68223126      2.90719708    -13.22982563
  H     13.67819547      9.41501872    -13.82047024
  O     14.81774528      8.96065369    -10.57137449
  H     12.62878861      4.45641966    -12.12977342
  H     12.19409763      8.94831263    -13.90127235
  O     12.76209098      9.71297012    -13.74025423
  H     13.05007847      3.21895585    -11.29616717
  H     10.48964968      7.26840841    -13.27006914
  O     11.18317266      7.36852771    -13.93435766
  H     16.03647731      5.82747146    -13.74630553
  H     11.12639555      6.62586405    -14.55621950
          69
 Energy    -248.02659057245205     
  O     13.36778284     13.61157890    -16.99113966
  H     14.12521116     13.08476451    -17.29629264
  H     14.85869216      9.20227275    -16.60776436
  O     18.06228235      7.66981769    -14.73587186
  H     12.86562951     13.84978449    -17.76632243
  H     18.08293237      8.57518250    -16.29919751
  O     14.39296748     11.09775519    -11.76378416
  H     18.48226227      8.10825799    -13.98693073
  H     18.69117325      9.83210876    -16.97474936
  O     17.63707777     15.47154727    -15.64514106
  H     17.20325793      7.36868331    -14.41623558
  H     15.64435532      8.87585877    -19.08201242
  O     15.36753805      7.39438490    -13.78939250
  H     14.00153063     10.97055959    -10.88662850
  H     16.56772727      9.28418456    -17.90616386
  O     13.37116310     10.38411015     -9.33143661
  H     13.80333484     10.68568235    -12.40885477
  H     17.80250492     14.52560879    -13.96951095
  O     14.27408204      7.90597998    -10.11842259
  H     16.66657648     15.44914076    -15.56470622
  H     18.15464246     13.14372551    -13.38911110
  O     16.06678843     11.51519969    -14.92411527
  H     17.88407473     16.39018802    -15.71508052
  H     13.23954750     13.01692337    -13.89164169
  O     12.75206856      9.94628572    -13.77753848
  H     14.52508550      7.17566833    -13.37508839
  H     12.71402972     12.90909626    -15.33041356
  O     16.33817689      9.07458693    -11.77924099
  H     15.15352713      7.98527243    -14.52842726
  H     18.05369756      9.17658184    -12.10871904
  O     18.70511969     11.48466845    -14.04652002
  H     13.28164726     10.49763048     -8.38936592
  H     19.53713936      8.92407755    -11.74592446
  O     14.67324135      9.27904716    -15.66582884
  H     13.63563470      9.45911194     -9.47086168
  H     11.97038492      6.99881408    -12.64672980
  O     18.04713580      9.12642888    -17.09471478
  H     13.70743960      7.66800506    -10.86351255
  H     12.65372128      8.35465537    -12.92514031
  O     15.68295840      9.41732456    -18.29936244
  H     15.11095217      8.18096419    -10.51285985
  H     15.95589646     13.66165590    -12.96476370
  O     17.69050668     13.96818597    -13.18979021
  H     15.65056017     12.16019426    -14.34145861
  H     14.83413026     12.68732890    -12.46429004
  O     12.55611763     12.60147806    -14.42942402
  H     16.99102813     11.44265249    -14.65215469
  H     17.29468469     13.00357655    -17.64381667
  O     18.96307928      9.19839505    -12.45610145
  H     12.48886827     10.85307689    -13.99404757
  H     18.04066428     14.09321863    -16.84041385
  O     12.79129868      7.47323402    -12.53962295
  H     13.32660097      9.66297889    -14.50356123
  H     15.81720734     11.97808189    -16.63783443
  O     15.02136128     13.41814373    -13.07192895
  H     16.02613821      8.49360465    -12.48864486
  H     15.58992792     11.25945115    -17.98673966
  O     18.17405527     13.33333094    -17.42154014
  H     15.76086318      9.85003704    -11.76982260
  H     14.36838158     14.80028486    -15.89426845
  O     15.60647201     12.13153050    -17.57313215
  H     19.20181580     11.39977087    -14.87089524
  H     14.88816708     14.72775092    -14.44462869
  O     14.96481991     15.22694935    -15.26794673
  H     18.89320625     10.71258861    -13.49866320
  H     19.26050188     12.07855811    -16.94870619
  O     19.80040896     11.33993697    -16.61210349
  H     15.19659362     10.03347990    -15.35049774
  H     20.66821401     11.43380996    -16.99509990
          69
 Energy    -248.02656064336699     
  O      1.51266421     -0.24271520      5.16316902
  H      1.07319644      0.62077957      5.06082864
  H     -1.74010277      4.32700281     -0.14638765
  O      1.53083249     -1.69854764     -2.66016450
  H      2.21989301     -0.11531967      5.79045981
  H     -2.85295791      1.06878868      5.35308404
  O     -0.96451502     -1.55049321      5.72004167
  H      2.26316491     -1.42009445     -2.08206258
  H     -2.33235323     -0.41468029      5.52385825
  O     -0.56160359     -0.65173638     -1.06956853
  H      1.85408172     -1.66027969     -3.55613495
  H     -0.44491355      2.77806600      1.48732104
  O      1.11162336     -3.90400545     -0.84209338
  H     -1.02845814     -2.14093724      4.96076958
  H      0.63908905      1.64582864      1.55321332
  O      3.15296318     -3.19138527      1.06987280
  H     -0.09460939     -1.13734172      5.65210696
  H     -1.87257280      0.63879306     -0.94514374
  O     -3.47315001      2.84321861      2.59404034
  H     -0.88379155     -1.45843461     -0.64013101
  H     -3.20802527      0.89496276     -0.19788597
  O     -3.78685518     -3.25577159      3.02896488
  H      0.05542521     -0.93454173     -1.75614616
  H     -1.05595858      0.80249124      2.50008639
  O      0.23650578      2.11407376      4.81453486
  H      1.83268720     -3.76355399     -0.21672478
  H     -2.02540958      0.16979747      3.54780215
  O      3.36838748     -1.00030302     -0.77115544
  H      1.26324136     -3.28156948     -1.56414982
  H     -1.18537507     -3.00666044      1.13402179
  O     -5.18420108     -0.82838590      3.78229456
  H      2.62651960     -2.74186378      1.75069788
  H     -0.48723931     -3.46494439     -0.18038949
  O     -1.74964784      3.58607259      0.45267468
  H      3.74078405     -3.78763094      1.52757584
  H      0.64536850     -2.25080203      2.89092905
  O     -3.02813677      0.14320764      5.14367627
  H     -3.84088859      2.03929319      2.21349532
  H      1.60556565     -1.27645954      3.62116080
  O      0.08427223      2.23556402      2.08408248
  H     -2.92792785      3.23121161      1.89742206
  H     -2.86505157      2.92099632      4.24878622
  O     -2.53478711      1.31502279     -0.74590746
  H     -4.32958625     -2.55955557      3.41396841
  H     -2.86643824      3.63328774      5.62196033
  O     -1.61617759      0.03895195      2.68142235
  H     -3.97194971     -3.21576416      2.07841889
  H      1.37726852     -0.49013573      1.48484766
  O     -1.26463696     -3.00705672      0.17366297
  H      0.29315439      2.27856072      3.86082035
  H      0.65281427     -0.08414917      0.16621942
  O      1.50474306     -1.81221674      2.82316933
  H     -0.63620348      2.42850358      5.07262905
  H     -1.26474807     -1.67862096      2.84446254
  O     -2.51491248      2.87877273      5.15673988
  H      2.81214352     -0.40235909     -0.25290970
  H     -2.04503197     -2.99807329      3.08890750
  O      1.34166967      0.18298523      0.79269369
  H      3.49559894     -1.77085234     -0.20373867
  H     -3.13833373     -2.82298115      0.08666133
  O     -1.15031286     -2.63056314      3.00556647
  H     -5.99333861     -0.77356385      4.28421560
  H     -4.10686093     -1.68748607      0.47282895
  O     -4.05778983     -2.63721479      0.32358460
  H     -4.47553447     -0.47587053      4.34802971
  H     -3.13917111      0.07017304      1.72850935
  O     -4.04433800      0.15823447      1.38791744
  H     -2.02538534      2.80566632     -0.06349786
  H     -4.61607127     -0.18258635      2.08832051
          69
 Energy    -248.02645601266778     
  O      5.13863921     -6.63913030     -4.82485283
  H      4.24889170     -6.31226504     -5.01078915
  H      4.66592137     -8.49575052     -1.54875991
  O      6.53545363     -4.53064899     -3.82476291
  H      5.05449940     -7.24045019     -4.07295186
  H      0.45266457     -4.14397340      2.78444257
  O      1.11531206     -6.92756442      1.74308754
  H      7.32078733     -4.32713137     -4.32511763
  H     -1.00232583     -4.39716767      3.23495304
  O      1.77012353     -5.61208786     -0.59496099
  H      6.11436977     -5.29403857     -4.25980051
  H      4.88320905     -3.58048019     -3.62451749
  O     -0.11313923     -8.50209990     -2.10247129
  H      1.42146641     -6.51101973      0.91970758
  H      3.88593435     -3.47219244     -2.45225965
  O     -0.68603810     -4.32970789     -0.28523845
  H      0.45548949     -6.32879143      2.10731706
  H      3.23319649     -9.32680663      0.08243254
  O      2.81803872     -1.83140076      1.02848785
  H      1.84625435     -6.16746238     -1.38089985
  H      4.47987781    -10.19758821      0.35295182
  O      3.83113286     -3.82882049     -0.67676572
  H      0.91864491     -5.15417265     -0.62280270
  H      0.87229329     -9.06094405     -0.52011889
  O      2.57914310     -5.35112641     -4.79140454
  H      0.71174181     -8.11942888     -2.45208530
  H      1.28078706     -8.53705545      0.86884060
  O      5.92558694     -5.54211608     -1.22240762
  H     -0.38441744     -9.17643853     -2.72155582
  H      3.06302409     -7.53434244     -2.62340582
  O      0.50066218     -1.94810702     -0.72929791
  H     -0.35758838     -3.43153924     -0.46016905
  H      2.24474336     -6.60050918     -3.55820963
  O      4.78384695     -7.87193560     -2.27662192
  H     -0.73170379     -4.42933442      0.67096442
  H      2.67221183     -4.24501115      3.05631082
  O     -0.36629315     -4.60881075      2.55520655
  H      2.57343158     -2.35094761      1.80974273
  H      2.31386326     -3.17479577      4.11364381
  O      3.96912187     -3.36010939     -3.41088090
  H      3.19325250     -1.01284619      1.34531691
  H     -0.45896295     -4.91939039     -3.92573410
  O      4.20407429     -9.34720499      0.02042188
  H      3.11109163     -4.47358318     -0.59664288
  H     -0.74267194     -4.21444793     -5.27118241
  O      1.49058638     -9.20808601      0.20408544
  H      3.60467754     -3.08813998     -0.10502449
  H      4.97039437     -7.76682484      0.86368267
  O      2.16799723     -7.23574817     -2.83394790
  H      3.05245678     -4.64087813     -4.33267834
  H      5.70389705     -6.47729804      0.44592850
  O      2.14079757     -3.44003193      3.21387075
  H      1.67025679     -5.04435088     -4.90493009
  H      2.27486922     -2.46477560     -3.47074263
  O     -0.04943817     -4.40748754     -4.64529829
  H      5.23934589     -4.91425250     -0.94906040
  H      0.83657576     -2.90794387     -3.80364825
  O      5.32557382     -6.93740583      1.20453854
  H      6.31295427     -5.17794285     -2.02687270
  H     -0.92847625     -6.72839503     -2.35362516
  O      1.34739940     -2.23180945     -3.34289887
  H      1.28006106     -1.80912736     -0.18278320
  H     -1.14032571     -5.30889121     -1.76870179
  O     -1.13510356     -5.81838491     -2.59143715
  H      0.80185511     -1.95628600     -1.65125773
  H      2.67344758     -6.29475181      2.56536843
  O      3.42028420     -5.72907005      2.80026819
  H      5.18948583     -7.07900357     -1.89628321
  H      4.17401830     -6.07594015      2.30336527
          69
 Energy    -248.02627423013126     
  O     18.35137846      8.58450139     -9.73506087
  H     17.56230572      9.02801116     -9.39933908
  H     17.17816803     11.56171988    -11.24130227
  O     14.91508057      8.77141377    -10.51669659
  H     18.22883004      7.64827414     -9.53600889
  H     19.50829114      9.47890831     -8.65142800
  O     18.53711693      3.01918982    -11.99966610
  H     15.14068179      9.49490322    -11.11308489
  H     19.35434578     10.77877713     -7.84653924
  O     20.92479441      6.66473282    -11.98764651
  H     15.19409261      9.06068388     -9.63758890
  H     18.90668997      8.82380418    -11.37196937
  O     16.20483566      9.55702922     -8.16707863
  H     18.63273359      2.08275064    -12.15279388
  H     19.64476264      9.76001356    -12.36078555
  O     22.88233968      7.60240927    -10.18591418
  H     17.58326136      3.19742140    -11.93146264
  H     19.07062334      4.36596214    -13.28008245
  O     17.04041444      7.24418901     -6.74518904
  H     21.69582291      6.94955620    -11.48180627
  H     20.00986639      5.58772208    -13.29678686
  O     21.48487122      6.18237070     -8.38004921
  H     20.39295938      7.45981666    -12.13209537
  H     15.80818017      4.62780373    -11.65833411
  O     19.91636493      7.62736186     -6.59913678
  H     16.66701129     10.37099258     -7.93029199
  H     15.00425075      3.35159441    -11.95083651
  O     17.52799569      5.99121511     -9.12768602
  H     16.46687371      8.86582277     -7.54424456
  H     15.03792238     11.53274905    -12.46164138
  O     17.79199780     11.88483591     -7.97025691
  H     22.42194946      7.11559595     -9.47693603
  H     15.84807321     10.37221036    -13.07348405
  O     17.86702327     11.91893334    -10.66769705
  H     23.80906210      7.39474073    -10.10132047
  H     16.47499392      8.50171433    -14.23387570
  O     19.97058221     10.05954259     -8.02581999
  H     16.57539725      6.69322745     -6.12026334
  H     15.88844256      9.28053523    -15.42099953
  O     19.25211713      8.88463212    -12.27718275
  H     17.16997643      6.70811224     -7.54732254
  H     22.26145784      9.38999070    -10.12790073
  O     19.30262125      5.15085796    -13.79005735
  H     20.95316466      6.62045719     -7.69989334
  H     21.33775667     10.26963691     -9.25634723
  O     15.89121570      3.67246372    -11.81049622
  H     20.90631027      5.56440551     -8.84085100
  H     18.04352038      6.44667102    -13.77064819
  O     15.73092863     10.90450705    -12.26855657
  H     18.96417629      7.50333936     -6.52444605
  H     18.10571933      7.86850365    -13.15508699
  O     15.99246710      9.30953836    -14.47357881
  H     20.03528996      8.53068640     -6.92193769
  H     20.88807781     12.02986566    -12.49435333
  O     21.86874690     10.26873999    -10.06465371
  H     16.92557327      6.07082059     -9.88073018
  H     20.95376712     11.05111997    -11.29628773
  O     17.50274994      7.21629309    -13.54516107
  H     18.30502818      5.49984611     -9.42830848
  H     15.47723026      7.17884174    -11.07491298
  O     20.36235976     11.42974802    -11.97327613
  H     17.81213716     11.95648383     -8.94326988
  H     16.47407015      6.65264675    -12.14638446
  O     15.94460380      6.38772236    -11.38154518
  H     17.66215799     12.76581071     -7.63084138
  H     19.41262191      4.10491022    -10.75395413
  O     19.76129967      4.82603473    -10.21586579
  H     18.70526005     11.80803656    -11.13236072
  H     20.15127794      5.46375149    -10.83206022
          69
 Energy    -248.02619845376438     
  O     14.76511923      9.59182989    -10.45766396
  H     14.40727044     10.16168678    -11.15181420
  H     18.23574470      3.11972069    -12.17146281
  O     13.75991329     10.29751496    -16.17307654
  H     14.03161213      9.12197901    -10.04158257
  H     12.41399428      7.63204293    -10.24273935
  O     16.71400482     10.90757531    -13.66620101
  H     13.20843502      9.75387976    -15.59662556
  H     12.00523952      8.14707066     -8.84173890
  O     13.23997741      4.79333161    -12.85700924
  H     13.63929985     11.19889125    -15.85298960
  H     17.81908303      7.96344206    -15.55625107
  O     17.52998656      7.12146559     -8.42150990
  H     17.42901338     10.78180699    -13.03207853
  H     18.67476691      7.61808527    -14.32586109
  O     16.17999111     13.23104960    -15.06899969
  H     16.65388030     10.14270750    -14.25651565
  H     14.42466298     13.09751344    -14.92250646
  O     15.96329892      7.57114146    -11.99863943
  H     13.96187802      4.75775877    -12.20567035
  H     12.96819967     13.61681004    -14.98085228
  O     14.09502019     10.97647481    -12.75617823
  H     12.94954857      3.89690683    -13.00325936
  H     13.22255575      9.50949770    -13.49505006
  O     18.66207378      8.01694846    -12.54351263
  H     17.81650782      6.96258649     -7.52520300
  H     13.42723021      8.10264478    -14.12001639
  O     18.69523169     10.65871850    -11.66253921
  H     16.60269224      6.83177200     -8.47039816
  H     12.04338402      7.74332255    -12.53560320
  O     17.17810699      5.09257530    -14.40387877
  H     16.79390809     13.32881541    -15.79297558
  H     12.23409774      6.26405491    -12.14643992
  O     17.78522066      3.94711152    -12.02628940
  H     16.46954483     12.44627442    -14.57571210
  H     15.01668013      5.66549477     -9.44407176
  O     12.76032472      7.95572527     -9.39163282
  H     16.89806242      7.74880482    -12.16946858
  H     14.18718264      6.81755313     -8.83952305
  O     18.50461398      7.36153381    -15.24491590
  H     15.60350163      8.27732623    -11.44911573
  H     16.16429412      4.49005236    -11.35734335
  O     13.49371978     12.84303296    -14.79673002
  H     15.02739254     10.92465508    -13.01761636
  H     15.59612026      5.92685825    -11.37472938
  O     12.76208848      8.77739614    -13.93049530
  H     13.71622921     11.67643856    -13.30093665
  H     18.65282656      5.33498243    -11.00563997
  O     11.92145011      7.11289938    -11.81327318
  H     18.94439146      7.37808717    -11.87043452
  H     18.53090767      6.38151731     -9.86042431
  O     14.96074586      6.26262262     -8.68601895
  H     18.85933411      8.90441503    -12.22348425
  H     15.18235215      7.05931759    -13.46726473
  O     15.37405159      5.00731497    -11.15588279
  H     19.37033054     11.28529461    -11.41819181
  H     14.14162037      6.02085047    -13.96743164
  O     19.05220382      6.13052431    -10.63347631
  H     18.24750412     10.38649573    -10.84000275
  H     16.42274065      9.80982529     -9.72580567
  O     14.72911975      6.72808942    -14.26278197
  H     17.75988573      5.77283805    -14.77570006
  H     17.49969850      8.89294978     -9.11084967
  O     17.36475758      9.76059598     -9.50974450
  H     16.29387060      5.46133305    -14.48106203
  H     15.68265545      8.09397748    -15.22537822
  O     16.08858801      8.92005202    -15.51472720
  H     17.62161946      4.33533414    -12.90583888
  H     15.36709325      9.44673647    -15.89008874
          69
 Energy    -248.02615667531228     
  O     -2.75850386      4.44271201      4.07205370
  H     -2.62422151      4.03426602      4.93528173
  H     -2.44848663     -3.08260102      3.03012984
  O     -2.73459694      2.74691054      1.90785766
  H     -1.91126864      4.84541399      3.84240885
  H     -1.21793887     -0.16805092      2.13367272
  O     -1.92246997      3.19361837      6.53700011
  H     -2.92209943      3.34650846      2.64416159
  H      0.01306221     -1.14084053      2.15494568
  O      2.05370176     -2.31341199      0.28660085
  H     -1.82947217      2.94235809      1.63190106
  H     -3.46736617     -1.24164747      2.44004553
  O      1.10626899      0.75759365     -1.78099537
  H     -2.06166249      3.52131773      7.42124190
  H     -4.65428952     -2.18225749      2.12693403
  O     -0.34690086     -1.41769524     -0.85340601
  H     -1.01147345      3.43427453      6.28514421
  H     -1.71991416      1.49260541      5.83298724
  O     -2.78350197      0.24950595      3.00377942
  H      1.74258824     -2.56408295      1.16506988
  H     -0.52844579      0.89310258      5.04270260
  O     -3.09210272     -1.42588020     -0.72179894
  H      1.25588404     -2.20157573     -0.25014919
  H      1.23356493     -2.32043388      3.65744351
  O     -0.59911462      2.82300976     -1.52058846
  H      1.91687493      0.63149776     -1.27682648
  H     -0.01470544     -3.05162328      3.08035403
  O      3.28296098      0.09987189      0.01167393
  H      0.57370105     -0.03633584     -1.62501179
  H      0.94115666      2.87966742      5.28616899
  O     -0.88560548     -1.98065574      5.86921023
  H     -0.34301147     -0.97899965      0.01103536
  H      0.44149233      4.25718491      4.78137578
  O     -1.77211342     -3.52003096      3.57106677
  H     -1.28396612     -1.57329342     -1.02895405
  H      0.89711277      0.81358283      1.77114391
  O     -0.36671095     -0.36159972      1.72561732
  H     -2.86720328      1.12247117      2.59382375
  H      2.33648929      1.09125745      1.28068136
  O     -3.70088430     -2.13377227      2.12669064
  H     -2.39414880      0.38599416      3.87823120
  H      0.82442419     -1.75401163      5.61749462
  O     -1.42912651      0.71082467      5.34745162
  H     -3.29166061     -1.72533536      0.16956355
  H      2.32698477     -1.93096777      5.95566725
  O      0.81529548     -2.61968433      2.83995841
  H     -3.11820305     -0.45602825     -0.69376878
  H      1.48227587      1.27824136      3.67080140
  O      0.55374238      3.71683018      5.57395432
  H      0.04118532      2.10091238     -1.65558755
  H      1.56310106      0.27407704      4.85632553
  O      1.64472510      1.42912346      1.86145322
  H     -0.66879616      3.28737615     -2.35038069
  H     -0.07690148      4.66391810      2.45283958
  O      1.72971866     -1.57122623      5.30513001
  H      4.19625779     -0.00624009     -0.23991132
  H      0.19784440      6.09167337      2.97274124
  O      1.25123834      1.15058477      4.60158591
  H      2.91677636     -0.79662922      0.11943172
  H     -3.08861719      1.87332166      0.23771796
  O     -0.10598308      5.22857726      3.24304975
  H     -1.21534377     -1.07396101      5.78938243
  H     -2.18918895      1.79944336     -0.99540354
  O     -2.93678693      1.36589497     -0.56853468
  H     -1.30894545     -2.49483562      5.17236852
  H      0.58346824      2.81152287      1.38463853
  O     -0.09025348      3.46192905      1.14054104
  H     -2.03231236     -4.43625684      3.63971310
  H     -0.25037976      3.35794687      0.19315050
          69
 Energy    -248.02612275510211     
  O      1.66107420     -2.04357739      7.54998146
  H      1.48701713     -2.26438150      6.61753386
  H     -3.32444607     -0.96243156      7.01606267
  O     -1.38626989      3.54509954      4.38905305
  H      2.59130610     -2.19666559      7.69558276
  H     -2.36537653     -3.86474047     11.09238007
  O     -3.09727199     -0.86793102     10.09936234
  H     -0.95148787      4.37704342      4.22160993
  H     -2.32690572     -2.47076225     10.45243935
  O     -2.68361801     -0.41422843      1.74503325
  H     -2.11026883      3.72939669      5.01388767
  H     -0.84596170     -3.79007424      9.02087581
  O     -0.43327657      1.08151132      5.37397326
  H     -2.41057930     -0.18786522     10.06815707
  H      0.35494853     -3.30513055      8.16609860
  O      1.02416596     -2.79095457      5.01247855
  H     -3.93795618     -0.40368799     10.00924504
  H     -5.65349078      1.14778014      4.70526680
  O     -4.57365790     -1.75411538      3.45202866
  H     -2.65095981     -0.41222544      0.79255296
  H     -4.25003551      1.30027252      5.31913580
  O     -3.39419224      2.41446259      8.51041952
  H     -2.84106099      0.50600562      2.02482567
  H     -1.43848711     -0.92485282      3.02753228
  O     -5.41915775      0.70685422      9.49769263
  H     -0.65183433      1.91775376      4.94413318
  H     -1.55441477     -1.75624824      4.32325267
  O     -6.64095206     -0.45244323      4.61635807
  H     -0.53858339      0.35800409      4.73897813
  H     -5.33672545     -1.35096890      7.36786303
  O     -2.66764123     -2.99176577      5.10082357
  H      0.47568864     -2.19486859      4.48679334
  H     -6.41124372     -0.68687140      6.48471932
  O     -3.53033818     -1.82250696      7.42090774
  H      0.49689310     -3.58941904      5.14425875
  H     -3.86749920      1.99438975      3.31563933
  O     -1.88140531     -3.33126271     10.46611796
  H     -3.98862131     -2.29987308      3.99434911
  H     -2.47962089      2.61981972      3.11006708
  O     -0.30961777     -3.99971454      8.24564856
  H     -4.00478033     -1.32160833      2.80485152
  H     -3.09173554      1.26450337      7.12650516
  O     -4.92582872      1.77113843      4.80621540
  H     -4.15680384      1.94565730      8.87587765
  H     -2.08249565      0.75726216      6.05524068
  O     -0.96725556     -1.15897918      3.83624261
  H     -2.62686249      2.15032806      9.03589640
  H     -0.63717763      0.95323253      9.19755173
  O     -6.15220961     -0.83169654      7.40181649
  H     -6.17362051      0.89836363     10.04834901
  H     -0.70810312      1.59450268     10.60473516
  O     -3.14141450      2.06705744      2.67992619
  H     -5.75233513      0.20141395      8.73407547
  H     -0.66088335     -5.86420031      5.73239418
  O     -2.97118129      0.62787067      6.40892259
  H     -5.92133550     -0.95113385      4.18730656
  H     -0.63259239     -4.64635551      6.68974038
  O     -1.24740424      1.24692336      9.89987921
  H     -7.44062015     -0.66658122      4.14382916
  H     -3.47992570      3.57516598      6.97550274
  O     -0.74953060     -4.91603642      5.75902217
  H     -2.96708023     -2.68740756      5.97044648
  H     -4.18038188      3.33393399      5.62543512
  O     -3.51963847      3.88842916      6.06318073
  H     -2.08720038     -3.74673551      5.25493804
  H      0.83302397     -0.41402920      7.87654360
  O      0.38105233      0.43485358      7.95125830
  H     -3.27776962     -1.73718217      8.34513619
  H      0.18970218      0.71861304      7.04714866
          69
 Energy    -248.02611603118925     
  O     -5.29642587      1.22970456    -13.53735140
  H     -6.19969878      1.30911724    -13.20716596
  H     -8.09406319      0.38447524     -4.58772188
  O     -7.65697025      1.17062404     -9.78597684
  H     -4.71716834      1.63084930    -12.87624393
  H     -6.28412270      5.32642355     -7.79714268
  O     -4.81092025      1.46487358     -4.04621869
  H     -7.92310016      1.21758978    -10.71242025
  H     -5.81399151      3.94315748     -8.31179612
  O     -2.68385880     -0.11193599     -3.61412945
  H     -7.23325306      0.30638889     -9.66891726
  H     -1.06530642      2.18405872     -6.60390527
  O     -1.21070341      2.34186967     -9.94226449
  H     -4.54363818      2.16930192     -4.65224114
  H     -2.24103429      3.13060609     -6.85496448
  O     -4.25208697      0.91612405     -7.74815067
  H     -5.67451418      1.15839894     -4.34657045
  H     -1.41756643     -0.24853587     -6.79733216
  O     -3.88963256     -0.87647342    -10.90529373
  H     -3.46308186      0.46148079     -3.73495915
  H     -2.71662774     -0.07330637     -7.61950960
  O     -8.01303836      0.96777084    -12.56413013
  H     -2.65659931     -0.34280435     -2.68934906
  H     -1.12707465      0.38506986    -10.15414270
  O     -6.30301523     -1.23325914     -9.58560614
  H     -0.47692543      2.87866822    -10.23240702
  H     -1.41378459     -0.76510383     -9.18688887
  O     -7.89632962      2.21376122     -7.14285347
  H     -1.30503972      2.50558832     -8.98841553
  H     -4.81523140      2.58447987    -10.25558433
  O     -0.69386038      0.73709805     -5.36975761
  H     -4.89196582      0.24846191     -7.46626718
  H     -6.24652449      2.25704340     -9.71363832
  O     -7.30732180      0.54695387     -5.10160219
  H     -4.66392813      1.46022405     -8.42904493
  H     -2.77284816      2.11824224    -10.93861441
  O     -6.09127410      4.43546325     -7.51747129
  H     -2.94518068     -0.91547397    -10.69176484
  H     -3.73132384      0.92326137    -11.16949723
  O     -1.41106977      2.82088057     -7.23991738
  H     -4.02385409     -1.20360836    -11.80368142
  H     -4.89445354     -0.48296237    -13.64769749
  O     -1.97901222     -0.68070357     -7.45182887
  H     -7.82504216      0.01387436    -12.48907489
  H     -4.33075662     -1.74480971    -14.34784024
  O     -1.28775175     -0.56521742    -10.12648465
  H     -8.76969610      1.05437940    -13.13807877
  H     -4.05746910      2.31109619     -6.63547956
  O     -5.44834654      2.78080455     -9.55271565
  H     -6.21833542     -1.38263956     -8.63492239
  H     -4.68245455      3.71838120     -6.48398067
  O     -3.61551451      1.87074809    -11.33968835
  H     -5.41026855     -1.12569143     -9.94746606
  H     -5.17543780     -1.57525626     -6.36637487
  O     -4.71799059     -1.43456835    -13.53417787
  H     -7.96006092      1.86367461     -8.04088402
  H     -6.44959169     -0.68641290     -6.20444600
  O     -3.99556409      3.13971283     -6.13192995
  H     -7.38295810      3.02814991     -7.19915220
  H     -3.35514905     -1.49608211     -4.84186888
  O     -5.90654314     -1.15806536     -6.84732916
  H     -1.36670867      0.47773735     -4.71967815
  H     -3.00408326     -1.78068156     -6.30223552
  O     -3.62094244     -2.02865329     -5.59958107
  H      0.15451424      0.58788986     -4.95879638
  H     -7.02499543     -1.66685278    -11.27772997
  O     -7.26282083     -1.61888486    -12.21416252
  H     -7.55934399      1.16516979     -5.81121559
  H     -6.44076395     -1.73983637    -12.70535965
          69
 Energy    -248.02558556509999     
  O     15.03258067      4.90037658     -9.30311771
  H     15.66800066      4.78518362    -10.02024257
  H     11.88179262      8.49353338    -14.11376705
  O     14.29439654      8.25440736    -16.40703631
  H     14.15185809      4.83400713     -9.70168266
  H     15.92740978     10.53074573    -11.97036597
  O     17.61951429      9.26826124    -14.53102965
  H     14.80010703      9.06682333    -16.53960183
  H     15.68909741      9.03146963    -12.29775057
  O     14.74958040     11.97011823    -11.98130660
  H     13.60136234      8.48312430    -15.77842161
  H     14.68084037      6.93597277    -12.89495089
  O     10.82610366      7.07364322    -13.77173869
  H     18.54158976      9.01321142    -14.40263773
  H     13.99253263      7.73536038    -11.73721102
  O     19.34659256      4.49025671    -12.52562399
  H     17.24910389      9.47672499    -13.66098547
  H     12.43421413      4.97093324    -11.48428403
  O     12.41107692      4.76742721    -13.41906279
  H     14.50707401     11.89753445    -12.92337570
  H     12.56466544      6.07887679    -10.41402180
  O     17.37896508      7.73197108    -10.41677980
  H     14.81728875     12.89996951    -11.78305163
  H     21.05745939      8.56410165    -14.17636778
  O     12.51176811     10.27068614    -11.37714870
  H     10.08654788      6.97154143    -13.17621422
  H     20.10206250      7.91839645    -13.14383847
  O     19.00389792      5.75074179    -14.90741340
  H     11.35223412      6.26540482    -13.67996143
  H     15.70107344      5.12642651    -12.82188467
  O     14.04094192     11.50935464    -14.54108647
  H     19.87062289      3.69980174    -12.62007896
  H     15.58740485      5.72090999    -14.26371191
  O     12.62386982      9.11388220    -14.14489215
  H     19.22091362      4.85681179    -13.41952681
  H     16.64922797     10.14010945    -15.74919350
  O     16.37890594      9.69034234    -12.11155193
  H     13.36889813      4.89716271    -13.52221506
  H     16.51301616     10.94080129    -17.06570822
  O     14.47002184      7.81963374    -12.57483365
  H     12.21519009      3.90425126    -13.77635734
  H     15.65394269      7.17468546    -15.86765441
  O     12.55276306      5.11944772    -10.54050518
  H     17.10848259      8.48669078    -10.95833862
  H     16.85692861      7.62795087    -15.03044660
  O     20.16572457      8.24850959    -14.05864198
  H     16.77011826      7.69998380     -9.66840889
  H     19.80327511      6.20875873    -11.77558747
  O     15.09060143      5.28509530    -13.55660417
  H     13.23349296     10.90694502    -11.45507821
  H     19.10600805      7.39418459    -11.07043260
  O     16.01038618     10.55646009    -16.35198656
  H     12.30934996     10.00194804    -12.27956172
  H     17.70271028      4.80459653    -11.76124626
  O     16.43222933      6.84109917    -15.39761678
  H     18.12026478      5.98430403    -15.21919424
  H     17.02417240      6.05708890    -11.14496928
  O     19.87727459      7.15534458    -11.60127962
  H     19.46872909      6.58602195    -14.77282466
  H     15.38125819      7.51172724     -7.52043066
  O     16.85681772      5.15669205    -11.45747756
  H     14.70663796     11.29398005    -15.20534824
  H     15.22706398      6.49787368     -8.68129249
  O     15.34161920      7.44421256     -8.47061469
  H     13.43862410     10.75342038    -14.50896878
  H     12.83530919      8.75748416    -10.42673349
  O     13.09710356      7.85733699    -10.18279882
  H     13.33470489      8.69683717    -13.63232199
  H     13.80362502      7.89861197     -9.52660433
          69
 Energy    -248.02554767083990     
  O     15.47212364     11.64087820    -13.09327833
  H     16.12744738     11.16769443    -12.56608811
  H     15.13620911      5.00606082    -13.67135879
  O     16.20542081      9.50411407     -7.61666045
  H     15.12030054     12.32277166    -12.50716706
  H     11.30208408     11.62103046    -11.41629495
  O     16.27767389      6.09068154     -9.69897639
  H     17.09994017      9.47486492     -7.97302919
  H     12.24278363     11.44697181    -12.63034534
  O     12.70791391      5.52419368     -9.47642271
  H     15.75658935     10.19975636     -8.11696734
  H     16.68339509      6.64952785    -15.03197119
  O     18.90287030      6.74801331     -9.19268023
  H     15.84255019      5.28289568     -9.99918142
  H     16.50573061      6.72995413    -13.50799487
  O     16.96812564     10.21453067    -11.08804337
  H     15.63092438      6.59054068     -9.17941311
  H     18.87438859      8.50209354     -9.08333709
  O     14.14600523     13.31504300    -11.14773280
  H     13.36419478      4.91781524     -9.84249741
  H     19.54535327      9.82026678     -8.63418835
  O      9.81954569      8.46166260    -12.03664803
  H     13.19912185      6.14681010     -8.92803765
  H     15.03718882      8.12586453     -7.87754342
  O     14.87674739     11.15333316     -9.50179167
  H     19.46408499      6.05942843     -9.54014545
  H     13.76286630      8.12552160     -8.73448702
  O     13.63728617      8.01983174    -12.06238827
  H     17.99107812      6.43661796     -9.31238186
  H     13.99536884     10.72965570    -13.65265958
  O     10.60527910      5.88603419    -11.14079887
  H     16.22782782     10.52577232    -10.54564521
  H     13.36183516      9.44485067    -13.08715396
  O     14.42310140      4.52976771    -13.22318750
  H     17.69080374     10.04276500    -10.47160935
  H     11.52065239      5.94158115    -12.75102377
  O     11.89327094     12.09974189    -12.00907390
  H     13.28702865     12.95586484    -11.43623223
  H     11.75766551      6.85315224    -13.99283803
  O     16.43690128      6.13194057    -14.26958995
  H     14.04881809     14.26195818    -11.10267676
  H     10.79614311      8.83014721    -15.42120964
  O     18.75361127      9.46566211     -9.03058433
  H     10.05308326      7.59027660    -11.69146886
  H     11.87019388      9.21494225    -14.37983212
  O     14.38316842      7.53604587     -8.28160464
  H     10.18964375      8.51760625    -12.92523033
  H      9.56993826     10.64201956     -9.76265551
  O     13.18754398     10.19714162    -13.67301656
  H     14.12064581     10.55575884     -9.59328436
  H     10.06579445      9.75281894    -10.93098060
  O     12.12128305      6.11411804    -13.48960329
  H     14.64368334     11.97440544     -9.95172450
  H     14.65312267      4.11634758    -11.58394007
  O     11.16473502      8.57604909    -14.57882005
  H     13.20777382      7.27629215    -12.49951758
  H     14.87699720      2.99176497    -10.54349013
  O     10.33054764     10.45037319    -10.30399958
  H     14.59019261      7.85713011    -12.06199160
  H     11.95664909      9.66839541     -9.85819208
  O     14.76782057      3.93432518    -10.63294306
  H     11.34103151      5.80408918    -10.50808203
  H     13.04392740      8.81795853    -10.59030399
  O     12.83454797      9.28265168     -9.76549873
  H      9.95412428      5.23801767    -10.88399853
  H     16.41339695      7.11721423    -11.19507683
  O     16.37059583      7.67744631    -11.98187993
  H     13.60326819      4.98725252    -13.44761695
  H     16.63358165      8.57091176    -11.72234935
          69
 Energy    -248.02537430276737     
  O     12.36040633     10.75783434    -15.23572722
  H     12.72583315     10.96556810    -14.36502580
  H     14.98461771      6.79758792    -10.63597545
  O     14.39430209      5.16020821    -17.18603418
  H     13.12730721     10.55832092    -15.78635815
  H     14.56837223      8.11117735    -13.89789424
  O     13.55777981      6.12169191    -11.52147409
  H     14.24717884      4.77609356    -18.04591981
  H     13.70111310      9.08186088    -13.06107955
  O     17.44982871      5.16948700    -11.28155693
  H     13.90015005      5.99974428    -17.16326488
  H     15.28519720     10.28877997    -17.24656732
  O     13.14730259      4.15775440    -14.79824330
  H     12.63402771      5.90570862    -11.35603373
  H     15.28543306      9.36230941    -16.00975614
  O     13.08697049      7.51307428    -17.00248483
  H     13.56979256      6.86270996    -12.14831754
  H     10.20441167      5.05784845    -10.97082773
  O     14.77223096      9.69529038     -9.50922818
  H     18.19820599      5.64848732    -11.65260782
  H     10.73438147      5.53684935    -12.34681761
  O     19.43793391      6.88262548    -12.56867786
  H     16.95638305      5.82139076    -10.76438290
  H     10.71772924      8.47207273    -12.84817113
  O     11.42459926      8.21042955    -14.73394799
  H     13.88706846      4.11865359    -14.18079407
  H     10.62729172      7.55083120    -11.61758468
  O     19.13606812      5.56836057    -14.93650349
  H     13.52912994      4.39553577    -15.65088105
  H     16.13647102      4.62773059    -12.43683587
  O     16.41132026      5.63394361    -15.32536873
  H     12.39256727      7.66713697    -16.35288698
  H     14.66166787      5.06186676    -12.49803758
  O     15.77826210      7.25708706    -10.32666147
  H     13.62007680      8.31777356    -17.01029849
  H     10.88650859      6.35595650    -14.45013176
  O     13.79124385      8.15731959    -13.32919734
  H     13.83818998      9.82039321     -9.71798079
  H     11.61175482      4.98356002    -14.34766381
  O     14.71095933      9.81763989    -16.64787908
  H     15.25436579     10.28265422    -10.10267812
  H     11.47045286     10.75600661     -9.87857825
  O     10.77597731      5.69770081    -11.38483218
  H     20.35562938      6.88913859    -12.30908541
  H     11.55797604      9.59553380    -10.89419972
  O     10.67219296      8.47769644    -11.88670910
  H     19.39145439      6.43059318    -13.42876924
  H     16.28614143      7.41003662    -15.06650446
  O     15.35216900      4.61021746    -13.00392648
  H     11.50605859      9.13887100    -14.99904967
  H     16.58833869      8.48579933    -13.97994125
  O     10.83173771      5.47937371    -14.05444147
  H     12.24430184      8.02842159    -14.24595968
  H     14.48865838     11.06013650    -12.38144423
  O     12.08530725     10.25326379    -10.40678682
  H     19.51058606      4.80074087    -15.36159457
  H     13.03973370     10.79998265    -11.88095913
  O     16.14361095      8.33630736    -14.82496463
  H     18.18834961      5.55402908    -15.14669605
  H     16.87893209     11.73089045    -11.55572172
  O     13.58760867     10.87455503    -12.67453652
  H     15.79850752      5.42707960    -16.04208764
  H     16.65946286     10.23796433    -11.89048270
  O     16.20538840     11.06138652    -11.64564656
  H     16.04150429      5.26335620    -14.50876318
  H     18.07701041      8.10490130    -12.36337348
  O     17.24694343      8.59037683    -12.27649794
  H     15.46525015      8.05675195     -9.88076430
  H     16.70256202      8.09986903    -11.64135315
          69
 Energy    -248.02529014628004     
  O    -12.28640407     -0.59692551      1.07017913
  H    -12.98264050     -1.08529479      0.63869168
  H     -9.39192553      6.97711600      2.70735815
  O    -10.03157266      6.59687635      0.97422781
  H    -11.53564934     -0.57220870      0.44939116
  H     -9.76396315      0.49889110     -0.24632655
  O     -9.39625392      0.20712881      4.71383364
  H    -10.38968244      7.14571661      0.28283734
  H     -9.34794673     -0.96189746     -0.02471682
  O    -11.82984911      3.58011731      6.58271587
  H    -10.76455375      6.03881383      1.29989623
  H    -11.52549532      2.20043756      3.45032494
  O     -6.42424065      6.19856156      4.30446691
  H    -10.02501551      0.93784044      4.62964924
  H    -10.37856762      3.01112910      4.08205214
  O    -10.48387100      7.52762249      5.84964875
  H     -9.77947949     -0.54441222      4.23826398
  H     -6.97945228      1.33332395      2.82094041
  O     -7.49539970      1.21299358      6.44589168
  H    -12.37709823      3.04133293      7.14783432
  H     -8.22492726      0.55013067      3.33971115
  O     -8.10855527     -1.68081615      1.25735301
  H    -11.61831912      3.04195185      5.80010446
  H    -12.09549739      4.09658016      1.84912697
  O    -10.41007741     -1.67683223      2.99821808
  H     -6.56416247      5.49021474      4.94491622
  H    -12.17557382      5.23562884      2.90746553
  O     -5.58559211      5.14971444      1.95264947
  H     -7.29852857      6.56239613      4.10962936
  H     -7.26824171      2.93344893      6.07970658
  O    -11.90087170      2.15001563      1.67297495
  H    -10.43577933      8.45381270      6.07092867
  H     -7.95180638      4.31825490      6.23896356
  O     -9.11015691      6.80503986      3.61333829
  H     -9.96572714      7.40519721      5.03540722
  H     -8.70183443      5.29213347      0.87799714
  O    -10.02669183     -0.41287331     -0.43697853
  H     -8.16923587      0.77292192      5.90384193
  H     -7.23990082      4.80409693      1.17546429
  O    -11.07001659      2.36026654      4.28625142
  H     -7.11573451      0.53483991      6.99871230
  H    -12.34210249      4.97605293      5.34098939
  O     -7.65993620      0.69395765      2.56836683
  H     -7.33420535     -2.23201827      1.18096875
  H    -11.87914284      6.40494124      5.06956677
  O    -11.97025606      5.04211152      1.98073720
  H     -7.82434517     -0.85931380      1.69367429
  H     -5.71088284      3.44217467      2.83366962
  O     -7.24575141      3.84918984      5.76315602
  H     -9.67141835     -1.85232007      2.40213721
  H     -6.14108423      3.02410614      4.25010255
  O     -8.13768545      4.51327188      0.97224497
  H    -11.12585367     -1.35079752      2.43948838
  H     -8.73226835      1.56060873      1.36340739
  O    -12.37939053      5.67820417      4.68118595
  H     -4.76395007      5.52627651      1.64966053
  H     -8.87668175      2.90204068      0.60981656
  O     -5.92605222      2.67589494      3.37870153
  H     -5.81347077      5.59854338      2.78668541
  H     -8.66252490      4.04241765      2.74262166
  O     -9.27825003      2.03026471      0.71688517
  H    -10.99662484      2.17441908      1.32364336
  H     -8.33393098      3.89337846      4.27122971
  O     -9.04282425      4.03091206      3.62919267
  H    -12.22773211      1.26300407      1.48166266
  H     -9.72393864      5.96412260      6.68506878
  O     -9.41103383      5.07710158      6.89698086
  H     -9.21956219      5.84821646      3.73331826
  H    -10.20274574      4.52415727      6.90075864
          69
 Energy    -248.02518462465497     
  O     10.91548613      9.13176036    -12.82342089
  H      9.98761407      8.92305388    -12.75948831
  H     12.97811584     12.62481443    -12.94115223
  O     16.58258259      7.97326431    -14.63867627
  H     11.40139070      8.33008209    -12.55725917
  H     15.41725391     10.78697751    -13.46950509
  O     16.75075505     10.49498775     -9.32704192
  H     16.42848408      7.99220019    -15.58983670
  H     14.84424423      9.76469377    -12.47113524
  O     16.00542450     12.53570727    -13.31654412
  H     16.02118575      8.65303200    -14.23483502
  H     13.12406161      6.92035915    -11.64832172
  O     13.46943187      7.19556493    -16.27340945
  H     17.18268031     11.01398700    -10.03001564
  H     12.57688409      6.32601092    -12.95980661
  O     15.77748048      5.69446947    -13.26323648
  H     16.89925169     10.95744090     -8.50705434
  H     17.99861750      8.12541352    -13.61557470
  O     14.38214222      9.75945765    -10.69095984
  H     16.53112234     12.59474627    -14.12327947
  H     18.83540076      7.24169599    -12.67137819
  O     17.96645962     12.10884241    -15.30822174
  H     15.13970814     12.93951338    -13.45986834
  H     12.79161225      4.51798724    -14.76784180
  O     18.31911697      5.61459658    -11.91509418
  H     13.12986651      8.00691150    -15.86883785
  H     13.31408886      5.93415062    -15.11204368
  O     15.95842467     10.85243620    -16.95418675
  H     14.26858741      7.45675625    -16.74424980
  H     17.15804065     12.16448901    -11.96808708
  O     15.92028486      8.19761973    -17.34565740
  H     16.06161238      6.44801448    -13.80170745
  H     18.52043996     11.45707167    -11.98215764
  O     13.34235270     13.30576465    -13.53539815
  H     14.95340899      5.38173681    -13.65592857
  H     19.29269207      9.76324164    -13.26627030
  O     15.08320152      9.88451382    -13.39887368
  H     14.43086016      8.79330398    -10.70596728
  H     20.49602206     10.72326762    -13.36688804
  O     12.35254740      6.91315684    -12.22678438
  H     15.12668034     10.06783324    -10.15935345
  H     17.83677374      8.17870681    -11.19108386
  O     18.70959539      8.15679977    -12.95619255
  H     18.52071978     11.58826419    -14.70670403
  H     17.31540813      8.78955441     -9.87162871
  O     13.23616927      5.27548068    -14.39755590
  H     18.54761375     12.72394821    -15.75104115
  H     13.14917286     11.09264148    -15.80620408
  O     17.85293154     11.81774770    -11.38965091
  H     17.48116386      5.44174615    -12.36670300
  H     13.44895134     12.50081187    -15.28937067
  O     19.54541249     10.68655709    -13.44304407
  H     18.07831896      6.03720556    -11.08368580
  H     15.76643490      7.31066529    -10.60340798
  O     17.46238194      7.95280907    -10.32968359
  H     15.13370306     11.29339512    -16.70008383
  H     15.14527202      6.53773581    -11.76562827
  O     13.57700615     11.92545853    -16.05131299
  H     16.66213831     11.25322297    -16.43462493
  H     11.78273001     10.69281759    -12.16869940
  O     14.91335918      7.04471467    -10.97459407
  H     16.33165397      7.99163447    -18.18014121
  H     13.05213273     10.90255202    -11.33708520
  O     12.39536868     11.37420681    -11.86656161
  H     15.90977778      9.16992199    -17.26908248
  H     13.54360878      9.64402454    -14.38564924
  O     12.74734427      9.51085417    -14.92112147
  H     12.85451169     14.10648298    -13.36315902
  H     12.01605862      9.41198212    -14.30021277
          69
 Energy    -248.02510775329512     
  O     16.44450680     10.18434958    -10.13045213
  H     16.44348371     10.92136530     -9.50867671
  H     14.16540265      7.30635276     -6.60049530
  O     14.28230650      4.75323027     -8.67874096
  H     16.39917407      9.37768744     -9.58909365
  H     19.12106875      4.95827144    -13.76925572
  O     16.52912936     11.99098567     -7.98285740
  H     13.43123000      4.95506728     -9.08637777
  H     18.70297988      5.75008370    -12.50937408
  O     11.95455641      5.59512128    -10.06288468
  H     14.94858075      4.97760774     -9.34227146
  H     17.04891020      5.85105191    -10.56461439
  O     18.79835631      9.07987771    -11.11166821
  H     16.27988270     12.90084225     -7.84680749
  H     15.79098958      5.89158445    -11.45756050
  O     20.47177551      9.17987616     -8.85193842
  H     16.07954962     11.47020022     -7.29181053
  H     18.56095544      8.79039674    -12.91565660
  O     18.79895645      6.29164308    -10.81689126
  H     12.34573948      5.83768001    -10.92220490
  H     18.46844313      7.54039690    -13.81786525
  O     13.15603717      6.51900565    -12.28803791
  H     11.08010980      5.26149147    -10.24372470
  H     17.73009903      8.22752767     -5.55283588
  O     15.49224385     10.41627141     -6.05164922
  H     17.99704877      9.54733719    -10.83612043
  H     18.17817032      8.87156994     -4.22028440
  O     14.30464616      9.04140192    -11.58538350
  H     19.44381426      9.18427392    -10.40110943
  H     15.38311676      9.12153740    -14.93686597
  O     12.68188818      8.24510325     -9.26274800
  H     19.93555905      9.73235521     -8.25498755
  H     16.56839963      8.75151097    -14.01192463
  O     14.05458811      8.20884663     -6.92097863
  H     21.36905441      9.49658113     -8.78735979
  H     15.37976317      8.01257061     -8.18183687
  O     18.51222663      5.62138044    -13.45451880
  H     18.74164120      7.24857768    -10.95276223
  H     15.98987474      7.20040887     -9.38133994
  O     16.08356151      5.79737342    -10.54387544
  H     19.18763465      6.16949177     -9.93927890
  H     18.18654350     11.17455909     -7.50294919
  O     18.27343453      8.48440926    -13.78761651
  H     13.47201728      7.39478724    -12.02657697
  H     18.61223319     10.15567190     -6.42424621
  O     17.83907520      9.07403977     -5.08833229
  H     13.88332477      6.12457925    -12.78391773
  H     14.54261958      4.94460701     -5.55670988
  O     15.59771330      8.73812847    -14.09050622
  H     16.22746841      9.99646496     -5.58999653
  H     14.68134303      5.21238858     -7.07313736
  O     16.16329540      7.90059208     -8.73758149
  H     14.89137808      9.69971244     -6.30069422
  H     16.60175769      5.72857319    -13.49641766
  O     18.92636526     10.63426261     -7.20150464
  H     14.66260901      9.03159409    -12.48312400
  H     15.62733997      6.91051929    -13.67795093
  O     14.89518051      5.56461534     -6.18909904
  H     14.97176520      9.51176020    -11.06752710
  H     19.06228049      6.46096511     -7.57893645
  O     15.68368761      5.99578340    -13.36812554
  H     12.34773210      7.37463293     -9.51252961
  H     20.04355645      7.36782025     -8.35796351
  O     19.74818283      6.45330456     -8.25723123
  H     13.13683381      8.59795591    -10.03578249
  H     17.13728418      7.24610255     -7.39538875
  O     17.43776786      6.80229916     -6.58569354
  H     13.44057626      8.21093056     -7.67306193
  H     16.68935374      6.25715405     -6.31477387
          69
 Energy    -248.02505027768845     
  O     18.88604290      9.61464578    -14.93897980
  H     19.36808381      8.77723137    -15.00555786
  H     20.70414812      7.03989627    -14.13165184
  O     21.90649581      6.88503889    -12.81244038
  H     18.00621051      9.43587530    -15.28662404
  H     18.65710995      4.00897849    -14.45334090
  O     16.26882862      8.15913867     -9.49807427
  H     21.57610959      7.48429775    -12.12615362
  H     19.68590790      5.14590343    -14.70251970
  O     12.99831448     10.11910288    -11.50837696
  H     21.75541639      5.99193929    -12.48379161
  H     15.62017603      9.75381405    -12.96469680
  O     16.25057128      8.79431845    -15.89764136
  H     15.87411424      7.39799494     -9.95044611
  H     15.26881729      9.60599359    -14.46462154
  O     11.55523155      7.70929870    -12.06599108
  H     15.53035777      8.70145481     -9.19192302
  H     18.06698955      6.47378380    -12.18049529
  O     18.74086805      5.38225547    -10.86898209
  H     12.36944270      9.41546215    -11.71206254
  H     17.51740093      7.90318621    -12.52214434
  O     14.82961417      6.17023922    -10.80375962
  H     13.58485347     10.18159837    -12.27295180
  H     14.21730443      8.08373474    -13.36398226
  O     20.97886622      4.24685729    -12.06981403
  H     16.11110613      8.83937257    -16.84101301
  H     14.53835588      6.67712464    -13.90510719
  O     16.44353860      4.03575485    -11.69572577
  H     16.19557175      7.85542283    -15.65565131
  H     19.10147123      7.50882171     -8.07105198
  O     16.77754575      3.56994606    -14.34754436
  H     10.78164668      7.45424326    -12.56221219
  H     17.95849117      7.75481302     -9.08127415
  O     19.90045593      7.04178143    -14.67578011
  H     12.32632898      7.40096488    -12.57130653
  H     13.63278439     10.28588669     -8.40821458
  O     19.59298592      4.23214092    -14.40052186
  H     19.58101676      5.01088037    -11.17099289
  H     13.62284233      9.85802861     -9.89398701
  O     14.88157686      9.76101535    -13.59518166
  H     18.91771872      6.00553073    -10.15558935
  H     20.10597351      8.31040679    -10.28468082
  O     17.74987769      7.04399603    -12.89264791
  H     14.59307035      6.50419067    -11.67884319
  H     20.28620180      9.31853846    -11.44413751
  O     13.95265121      7.15398939    -13.30414183
  H     14.04833887      6.29896612    -10.24648102
  H     19.77915909     11.50231321    -12.54686881
  O     18.89330177      7.50334773     -9.00241880
  H     20.51574857      4.16316465    -12.92375758
  H     19.23680301     10.31685157    -13.38093214
  O     13.92592364      9.60184374     -9.00442755
  H     21.52398801      3.47083119    -11.97495536
  H     16.20944250      5.26950471    -14.90425374
  O     20.72020313      8.60112631    -10.96715194
  H     17.28416244      4.34433375    -11.33076887
  H     16.65026181      6.51846766    -14.12964555
  O     19.37062048     10.64413271    -12.47250887
  H     15.78704322      4.65161005    -11.34616605
  H     12.08010332      7.24967348    -10.25747246
  O     16.06597940      6.22107771    -14.84839992
  H     16.50768653      2.67968681    -14.55596839
  H     12.94446480      7.89733152     -9.16053344
  O     12.58693797      7.05233817     -9.45913326
  H     16.62913432      3.69098747    -13.39147301
  H     17.77371589      9.99976459    -11.88390688
  O     16.94043216      9.51282364    -11.83554569
  H     19.15915297      7.06934242    -14.05210809
  H     16.79455869      9.18348819    -10.94033475
          69
 Energy    -248.02500997001866     
  O     -1.21462997      0.19457702      0.56321135
  H     -2.05318635      0.60135489      0.81649985
  H     -3.07869986     -1.75321318      2.81270872
  O     -1.97054146      5.06402815     -1.00218910
  H     -1.36121641     -0.74684524      0.41159435
  H     -4.00394702      4.78768395      4.31997396
  O     -2.34293978      4.12352101      1.58448204
  H     -2.16405975      5.77640145     -1.60486293
  H     -3.06695512      4.22142719      3.22891221
  O      1.88476395     -0.92254496     -0.66308526
  H     -2.14388563      4.23277601     -1.48165359
  H     -0.16318966      0.43737677      5.76362253
  O     -3.97988239     -2.49919656      1.24080728
  H     -1.42746336      3.90450102      1.81406833
  H     -0.09005953      0.94965823      4.30517635
  O     -0.94255369     -0.57106307     -3.12809927
  H     -2.31570147      4.55397142      0.72103446
  H     -3.39360149      1.36439505      2.43014948
  O     -4.66147156     -0.20591402     -0.28163382
  H      1.52025706     -0.08713485     -0.97809915
  H     -3.13763738      2.46799481      1.37941460
  O     -2.20810921      2.66205807     -2.18739458
  H      1.40999910     -1.61559507     -1.13807203
  H     -2.21957926      1.21746534      4.62897291
  O      0.25912168      1.34860050     -1.42294798
  H     -4.37258610     -3.36429324      1.32846881
  H     -3.34408872      2.22085494      4.33478088
  O      0.18917108     -2.76036567     -2.06530369
  H     -3.12609071     -2.62420269      0.78950577
  H     -1.48794371      4.13818413      4.82017272
  O     -1.48482821     -2.60037506      0.17511984
  H     -0.44969939      0.14725208     -2.71033087
  H     -0.45381130      3.06210433      5.18656922
  O     -2.44458999     -1.43131502      3.46533917
  H     -1.87702061     -0.34692947     -3.03538385
  H     -0.10746704      4.42582567     -0.68315983
  O     -3.33797063      4.12439684      4.15759032
  H     -4.39668065      0.49828700      0.32626785
  H      0.68175054      3.86440845      0.51153558
  O     -0.46761043      1.13033963      5.18300297
  H     -4.55484343     -1.02721954      0.21302100
  H      0.66934981     -2.21919214      2.48658368
  O     -3.44731866      1.55934700      1.48500123
  H     -1.34747404      2.26155269     -2.01699995
  H     -0.81434886     -2.22758031      2.98536999
  O     -3.10595442      1.28889578      4.24741602
  H     -2.79558003      1.93003473     -2.40652346
  H      1.25247431      0.19251248      2.50747131
  O     -0.54044417      3.98637258      4.91924379
  H     -0.26752012      0.95732476     -0.70549096
  H     -0.15626478      0.54100406      1.97558338
  O      0.65586654      3.88370026     -0.45496366
  H      0.54379841      2.22729550     -1.13089355
  H      0.46214927      2.59899412      2.38139959
  O     -0.13908183     -2.74155412      2.51683984
  H     -0.24192098     -2.02330343     -2.53683921
  H      0.13874871      3.85631416      3.22007325
  O      0.50073841      0.78238775      2.64465108
  H      0.43134246     -3.40724169     -2.72184326
  H     -4.34043147      0.17554090     -3.37088666
  O      0.28518488      3.54705113      2.31471915
  H     -0.94725009     -2.77089292      0.96680363
  H     -4.01443090      0.06579962     -1.86475232
  O     -3.63492513      0.27373696     -2.73670272
  H     -0.94046596     -2.76936109     -0.60146510
  H      3.18364051     -1.49594169      2.16434569
  O      2.29047316     -1.20437614      2.00457226
  H     -2.80212630     -0.60130716      3.79643352
  H      2.19011270     -1.12533878      1.03858907
          69
 Energy    -248.02500380375696     
  O     -1.29885721     -0.91454906      0.77339274
  H     -1.70994381     -1.06473020      1.64139916
  H     -2.38260883      4.73234460      4.26183975
  O     -5.01507501     -3.41944570      4.20781362
  H     -1.25263570      0.04602178      0.68571862
  H     -1.83459479      2.98140164      5.64823334
  O     -4.68576297     -2.21088328      1.67249070
  H     -4.23974283     -3.99457299      4.21146191
  H     -1.11711551      1.72462049      5.08091744
  O     -2.83565065     -2.90738285     -0.36192385
  H     -5.10975664     -3.11935443      3.29490664
  H     -3.52302447      3.80113906      2.44958219
  O     -1.42505797      1.77464123      1.18910678
  H     -4.23041366     -2.57697612      0.90542349
  H     -2.32440469      4.68112391      2.03448047
  O      0.77596952     -2.63510991      1.34466833
  H     -3.98348796     -1.88223175      2.25775311
  H     -0.84641523      0.83705102      8.61495343
  O      0.81761721     -1.26553622      3.88635654
  H     -2.88150983     -2.89318569     -1.31442716
  H     -1.64866596      1.17430765      7.34992072
  O     -1.25208102     -2.72120896      5.06042583
  H     -2.30173104     -2.13969517     -0.09443731
  H     -0.20624781      4.40302430      4.21477148
  O     -2.60517239     -4.97120225      4.01960411
  H     -1.10906663      2.67053624      1.02357965
  H      0.47355413      3.12475506      3.68861577
  O     -4.02814131      2.03485993      2.14431435
  H     -2.34603153      1.84949391      1.48103209
  H     -2.11573563     -1.74363340      3.80654397
  O     -0.61720822      4.46627899      1.13770909
  H      0.13230283     -1.96347996      1.06198517
  H     -2.99412637     -0.47280030      3.62945024
  O     -1.90166108      4.74253248      5.10907648
  H      1.49403108     -2.61078657      0.71669882
  H     -5.43814925     -0.62154853      1.13678897
  O     -1.73840107      2.02733153      5.76030557
  H      0.20112886     -1.79609974      4.41106638
  H     -6.66567326      0.20142793      0.71993436
  O     -3.05915631      4.62378220      2.65734049
  H      0.96318848     -1.76958684      3.07878312
  H     -3.50957622     -1.64223117      6.91681122
  O     -1.65937415      0.63604583      8.15694858
  H     -1.67134085     -2.42861944      5.88548151
  H     -2.29478862     -0.99015277      7.62406181
  O      0.46663421      4.08840009      3.59871439
  H     -1.63344084     -3.57514062      4.82755385
  H     -5.97715903     -1.39877292      6.44203116
  O     -2.58916148     -1.20973331      3.15539097
  H     -2.20369784     -4.83119119      3.14374655
  H     -5.12211829     -2.09674370      5.36010381
  O     -5.72368292      0.26248974      0.86031310
  H     -2.50001718     -5.89668304      4.22488567
  H     -0.59541777     -3.96649411      1.60080379
  O     -2.60928130     -1.80959664      7.21707603
  H     -4.06060984      1.66059875      3.03667150
  H     -1.95641355     -4.08218585      0.89624110
  O     -5.15212210     -1.33663644      5.96761862
  H     -4.64963488      1.51959933      1.61287536
  H      0.30308026      0.43784759      3.75868061
  O     -1.43375390     -4.44427096      1.62122082
  H     -0.14201626      4.39381893      1.98550674
  H     -0.52642308      1.38356745      2.83030004
  O     -0.06888845      1.32824757      3.67801435
  H     -0.12497426      5.07609567      0.59572004
  H     -3.22249554      1.19261912      5.12475853
  O     -3.90644222      0.76759940      4.58873800
  H     -2.17253425      5.53159015      5.57007269
  H     -4.38445201      0.13199003      5.13617306
          69
 Energy    -248.02469345196619     
  O     11.76246351      9.68249152     -9.96696352
  H     12.60639835     10.08205610    -10.23448503
  H     17.43175422     10.17612963    -12.27812241
  O     12.39876770      8.90026664    -16.06474386
  H     11.08094934      9.97021518    -10.59803403
  H     17.34090883      8.00729645    -13.72966262
  O     12.75693972      7.79022187    -11.90483561
  H     12.35862107      8.77569601    -17.00876762
  H     15.96762413      8.69987175    -13.56840484
  O     14.25062517      8.94894276    -14.02305231
  H     11.80681224      9.64560266    -15.85380884
  H     11.66802635     15.11310313    -10.88354915
  O     13.39069354     12.23770753     -6.96474505
  H     13.61134222      7.61174058    -11.48796094
  H     11.90487992     13.67183063    -10.38109620
  O     10.66684650     10.84680495    -15.34334276
  H     12.27036876      8.32529021    -11.26576073
  H     15.95822082      8.10490102    -11.54384680
  O     15.92588511      8.79648291     -8.21307873
  H     13.70426934      8.91228450    -14.81961907
  H     14.97439610      8.99074706    -10.74335903
  O     14.23031311     10.66219171    -10.69836215
  H     13.71585049      8.59441237    -13.29837603
  H     17.07532656     13.58196600    -13.63647780
  O     13.29518303      9.42471679     -7.52829534
  H     13.60504444     12.68960288     -6.15331136
  H     16.92816142     12.40015490    -12.64476866
  O     14.98080023     14.19896329    -10.87246223
  H     14.14684518     12.35977019     -7.56659777
  H      9.55680766     10.10462146    -12.46072955
  O     11.53069633     12.54928837    -13.24595687
  H      9.94495619     10.35560677    -14.92978100
  H     10.51809330     11.30369898    -12.30188194
  O     17.62335228     11.02848475    -11.86927568
  H     10.90416636     11.54861063    -14.72375847
  H     15.31557825     13.16924116     -9.49467961
  O     16.84359017      8.59033569    -13.16129376
  H     15.03821236      8.98309583     -7.87407150
  H     16.20896908     12.02880634     -8.86432915
  O     12.10975032     14.29572194    -11.10085981
  H     15.78816023      8.30091607     -9.03047330
  H     14.92835163     12.13974739    -13.40512216
  O     15.30198972      8.08035178    -10.83890382
  H     14.19836029     11.11175411    -11.55153300
  H     14.24566946     10.74491984    -13.66693665
  O     16.44217215     13.11089367    -13.10231742
  H     14.56678527     11.28316590    -10.04221361
  H      9.56945267      8.41602843    -13.94439574
  O     10.05642798     10.61136961    -11.81065326
  H     13.25262804     10.33696521     -7.21661939
  H      8.04974639      8.69742405    -14.03076402
  O     15.35713350     12.47864022     -8.81430189
  H     12.65366844      9.36157920     -8.24586276
  H     17.00903368     10.04822694     -8.68954238
  O     14.10838179     11.63658910    -13.32178152
  H     14.03736865     14.26382132    -11.06685053
  H     18.37577825     10.75165494     -8.51206981
  O      8.89705041      9.12001466    -13.92230912
  H     15.42936755     13.94264980    -11.68629079
  H     11.42402513     11.59856577     -9.33118046
  O     17.57065425     10.77266280     -9.02248376
  H     11.59359199     13.25759398    -12.59442505
  H     12.12071200     12.50128899     -8.30210362
  O     11.59464503     12.51958232     -9.11191438
  H     12.43716561     12.21804339    -13.33919711
  H     11.47920073      7.71992672    -14.79836663
  O     10.96695635      7.35733360    -14.06589259
  H     17.62390524     10.89341892    -10.91376663
  H     11.55082717      7.36586565    -13.29573777
          69
 Energy    -248.02463471789446     
  O     11.87500311      8.22839855    -15.28565286
  H     12.63227844      8.01822338    -15.85045984
  H     18.75511552      9.61902322    -15.54596956
  O     16.99404953      7.43738700    -12.64828234
  H     11.81162375      9.18950021    -15.26235353
  H     14.51254039     10.90350216    -17.32931169
  O     15.93081700     11.76549992    -12.15609897
  H     16.36889422      7.14346385    -11.97395405
  H     14.85520663     11.69889462    -16.06406951
  O     16.31945500     11.47710281    -14.89791962
  H     17.39273575      8.26987856    -12.35921072
  H     14.97648625      8.47581921    -15.12177962
  O     15.67134179      5.69122375    -15.64870916
  H     15.92522920     11.90162489    -11.20076562
  H     15.89146758      8.32827094    -13.85825304
  O     14.15979579      9.60219429     -8.90333531
  H     15.07312482     11.36756647    -12.36738321
  H     10.89160042      6.22654215    -13.08217586
  O     15.11054483      6.66120281    -10.81584338
  H     16.05287176     10.55054904    -14.76827199
  H     11.73068720      7.26426195    -13.86377423
  O     13.59790902     10.42850510    -12.92715950
  H     16.28871069     11.87341866    -14.02006677
  H     18.08196183      9.74752882    -10.33114326
  O     16.25451218      7.68411179     -8.46871971
  H     16.59808704      5.84642325    -15.43979854
  H     17.21163363     10.49216642     -9.30648450
  O     17.94245115     10.74975206    -16.94289163
  H     15.21731467      5.50638382    -14.81172259
  H     14.61032917      5.61341281    -12.38674915
  O     18.33776351      6.39650996    -14.74496185
  H     13.60230070      9.20990892     -9.58736763
  H     13.36415152      5.76919263    -13.25868352
  O     19.04149374      9.19587419    -14.73059668
  H     14.77429634      8.90892030     -8.63181694
  H     17.40739544     10.56830307    -12.26952091
  O     14.14266460     11.52596153    -16.69409833
  H     14.35938147      7.26314408    -10.92031852
  H     18.51566734      9.79741325    -13.06851093
  O     15.37625968      8.95139009    -14.38341809
  H     15.51191604      6.86778854     -9.96267663
  H     15.58759327     12.42424092     -8.69321456
  O     11.70347141      6.72568638    -13.05223009
  H     12.94496307     10.75676733    -13.55626423
  H     15.12014111     11.03604094     -9.19045145
  O     17.78180723      9.72040029     -9.41310109
  H     14.17084985      9.82562522    -13.42877867
  H     15.86529762      9.55208881    -19.17758956
  O     14.25674168      5.40303184    -13.25853634
  H     16.63435566      7.32293269     -7.67260907
  H     16.54695110      9.93660628    -17.84852506
  O     18.11629851      9.91629966    -12.19412963
  H     16.87472302      8.36088653     -8.79502389
  H     12.40952694      7.80408593    -11.70542026
  O     15.75996612     11.75374645     -9.34871262
  H     18.55566005     11.42132201    -17.23287147
  H     13.12835743      9.16867920    -11.72119938
  O     15.71822691      9.61605616    -18.23631951
  H     17.43517657     11.13343039    -16.20503308
  H     11.27146126     11.71420760    -15.33265769
  O     12.94040457      8.40087944    -11.16217025
  H     18.95159069      5.70821938    -14.49890091
  H     12.69512268     11.27004895    -15.74291092
  O     11.96342288     11.09181242    -15.12593875
  H     17.88023600      6.66557128    -13.92738047
  H     14.75299404      6.94528809    -16.42726504
  O     14.25618623      7.75302729    -16.64235106
  H     18.88604047      8.25096530    -14.85428439
  H     14.76480216      8.26875738    -17.27685729
          69
 Energy    -248.02459035654260     
  O     17.08739619      7.40215845    -13.14139576
  H     17.64395285      7.64791200    -13.89789275
  H     12.56885086     11.10966092    -15.28952495
  O     11.72884155     11.28907951    -11.89307154
  H     17.49863476      7.77319870    -12.34585531
  H     14.76069911      7.65283206     -8.77481806
  O     18.50533890      8.41631050    -15.21588812
  H     11.44403556     10.51723587    -12.41758268
  H     15.73199699      8.83436878     -8.55813124
  O     11.19478215      9.15350962    -13.45542234
  H     10.95698922     11.62042452    -11.44282474
  H     14.38658702      9.70339604    -12.04484524
  O     18.06355082      8.51381461    -10.79052035
  H     17.98358336      8.78238171    -15.94000169
  H     13.18196202     10.35229816    -11.30019244
  O     19.34893126     10.78162984    -11.84706408
  H     19.10708357      9.12469927    -14.95346076
  H     18.05925611      5.94871468     -8.23388473
  O     16.20688235     10.30481882     -9.72087476
  H     11.58419548      8.28886614    -13.27815362
  H     16.90779647      6.92078153     -8.59151626
  O     12.37805102      6.63256615    -12.77676597
  H     11.48213668      9.42445961    -14.33607109
  H     15.81735671     11.29347756    -13.45829408
  O     16.89092373      9.75575966    -17.16467714
  H     18.12754910      7.78125034    -10.16581275
  H     16.61444575     12.32681122    -14.27554324
  O     14.57040971      6.62232215    -14.64019369
  H     17.40619196      9.12361539    -10.42352789
  H     16.35803387      6.17159673    -11.90347922
  O     14.52877633      8.92323126    -16.10003564
  H     18.71077472     11.44662510    -11.56375803
  H     16.56086850      5.80112827    -10.42253053
  O     12.19054316     10.39099473    -15.82908438
  H     19.05544263      9.94585983    -11.46147255
  H     16.01314508      8.86203560    -13.33492459
  O     15.51596747      7.94436121     -8.25021653
  H     16.56657137     11.14412778    -10.03168513
  H     15.02345014      9.42611345    -14.37696105
  O     13.95673308      9.79128044    -11.18031109
  H     15.36807616     10.18308683    -10.19206118
  H     19.82217789     10.74196378    -13.50685158
  O     17.65589244      6.41624956     -8.95963851
  H     12.75567759      6.75947215    -11.89135804
  H     20.96059536     10.86050561    -14.54622938
  O     16.00446230     12.24200159    -13.52727488
  H     11.85221342      5.83656043    -12.73407643
  H     18.58964623     11.65552009    -15.24755514
  O     15.92334910      5.76026408    -11.14634792
  H     16.90034089      9.61278144    -18.10775929
  H     17.44151863     11.33210376    -16.21306176
  O     15.37863467      9.57229682    -13.49202683
  H     16.01905306      9.46522216    -16.84738829
  H     13.78091004      8.07831908    -10.64744268
  O     20.02620172     10.69342001    -14.45782044
  H     15.39542930      6.66881776    -14.14668212
  H     14.46704636      6.65888361    -10.66140394
  O     17.76811507     12.01136934    -15.61011205
  H     13.86189570      6.57188595    -13.98599130
  H     16.76709466     12.53003922    -11.95273129
  O     13.67319435      7.14996432    -10.39058561
  H     13.66190259      9.34769202    -16.10324787
  H     17.31775167     13.48783979    -10.87119102
  O     17.22417346     12.56532447    -11.09484495
  H     14.45349905      8.03761444    -15.71090393
  H     12.75897438     12.09571268    -13.31565496
  O     13.20949203     12.26179250    -14.15304381
  H     11.62393486     10.80132137    -16.47704429
  H     14.14074695     12.41100190    -13.94872607
          69
 Energy    -248.02453922327527     
  O     15.82383635      6.36655810    -13.25887867
  H     15.15172852      6.50916805    -12.57860348
  H     19.27925849      8.30102266    -15.03289896
  O     17.91752422     10.22643504    -11.39169099
  H     16.67314787      6.65335343    -12.89285856
  H     15.87285952     11.60852031    -16.00053607
  O     17.67181372     11.38036973    -15.74027997
  H     17.07250546     10.54651532    -11.74217967
  H     14.65461711     10.79372024    -16.52047467
  O     12.49178428      6.95935078    -15.99211098
  H     17.82479168     10.11408620    -10.43786352
  H     15.11118057      8.90664115    -15.20059991
  O     14.91962988      9.02335078     -8.42519195
  H     18.25314167     11.43689261    -14.97405994
  H     15.64320490      7.97355894    -14.05989530
  O     13.88146880      7.03985374    -11.36737347
  H     17.83841060     10.50036766    -16.10426868
  H     10.94979031     10.95041156    -12.81791644
  O     15.55329361     10.87277421    -12.59210955
  H     12.32312682      7.23122132    -15.07193724
  H     12.40919606     11.21088928    -13.24818990
  O     16.18180760      7.07654117    -17.85108498
  H     11.68429644      6.56944077    -16.31565531
  H     17.75023990      7.74836343     -9.19430815
  O     15.05879975      6.20096811     -8.97451733
  H     14.40509912      9.37239209     -9.16553702
  H     17.90301803      6.92247690    -10.48479377
  O     17.85135843      8.61082576    -16.18286692
  H     14.85252992      8.06210155     -8.48215680
  H     12.01656353      8.71445767    -13.26972353
  O     15.04025359      5.64162472    -15.86016488
  H     14.18309337      6.61907122    -10.55235394
  H     12.63718257      7.39935545    -12.73540227
  O     19.84744308      8.31868350    -14.24993634
  H     13.86120125      7.98958509    -11.18267304
  H     20.18092351     11.70416633    -13.17853938
  O     14.90978944     11.62746287    -16.10818749
  H     15.00678556     11.56569546    -12.97586945
  H     19.00561967     10.83517442    -12.68521374
  O     15.67029627      8.87170600    -14.41441987
  H     15.63799104     10.18410030    -13.27334269
  H     18.82297238      7.60183868    -12.92596922
  O     11.82592712     10.57156958    -12.80907899
  H     16.32690574      6.54572116    -18.62900483
  H     17.99171791      8.42492245    -11.93656139
  O     17.61897865      6.86653365     -9.56250441
  H     15.83677004      6.48042584    -17.16090004
  H     16.60064021      9.46998084     -8.53777133
  O     12.12026797      7.77495992    -13.45937902
  H     15.99647267      6.35454424     -9.19195381
  H     17.90068887      9.97477427     -7.86731130
  O     19.50304832     11.10161018    -13.47555555
  H     15.02791802      5.42784987     -8.41797541
  H     12.91609683     10.05747378    -11.30712522
  O     18.14874945      7.51985394    -12.23653522
  H     17.18964732      8.72728078    -15.48455319
  H     14.44364636     10.15455543    -11.37099252
  O     17.55248189      9.61909192     -8.68048777
  H     17.43119247      8.06389535    -16.85572164
  H     14.02580356     12.15190503    -14.76821439
  O     13.71755972      9.78725764    -10.84553905
  H     15.35765314      5.73719043    -14.95203872
  H     13.52662740     13.37740665    -13.96708324
  O     13.58677955     12.42639776    -13.94044230
  H     14.13156047      5.96743478    -15.86665270
  H     13.55668639      8.34544800    -16.65199364
  O     14.27974758      8.94895207    -16.86904496
  H     19.91384039      9.25307204    -14.01969837
  H     14.92767908      8.42345144    -17.35705846
          69
 Energy    -248.02451793202522     
  O     11.40145239     10.89368569    -10.02265307
  H     10.85799163     11.43283897    -10.62070746
  H     18.48420099      9.26219634    -11.73744984
  O     13.27615640      9.06009129    -17.37833445
  H     11.25957892      9.96141216    -10.22870774
  H     15.14920544      7.97477420    -13.50761190
  O     11.35899373      8.20860963    -10.85327793
  H     13.72287137      8.91880178    -18.20860115
  H     16.30098527      8.14221326    -12.49416217
  O     14.15393050      8.99119142    -14.70948118
  H     12.90037088      9.95807454    -17.40891696
  H     12.48653245     14.47764379    -12.06054295
  O     12.73835955     12.68688913     -8.40106003
  H     10.82440302      7.48057328    -10.54798963
  H     11.66431743     15.64334765    -12.65662194
  O     12.03354398     11.48554633    -17.34275745
  H     12.29066129      7.95457412    -10.70753257
  H     14.44906162      7.42991344    -11.33914368
  O     11.58590593      8.70889870    -13.63910093
  H     14.40075061      9.90986740    -14.53266007
  H     14.44849698      8.27400064    -10.06372181
  O     13.78261373     11.11002028    -11.45268388
  H     13.95262205      8.93284469    -15.65136971
  H     16.88048918     12.62490716    -11.99931380
  O     16.35627578     13.89740061    -10.63291810
  H     12.25002023     12.85557866     -7.59924678
  H     16.29023428     11.92996033    -13.25209975
  O     10.14466198     12.49104218    -11.83443242
  H     12.25137902     11.99497221     -8.88085470
  H     10.73061773     10.23852118    -13.97762885
  O     12.27937733     12.88958612    -14.88003018
  H     12.20298875     12.10454802    -16.62157294
  H      9.83298628     10.92080451    -15.04684846
  O     17.54881690      9.44724984    -11.73105369
  H     11.10011745     11.24718440    -17.27420209
  H     14.68039046     12.33725991     -8.33417430
  O     15.58861382      7.54905292    -12.75957946
  H     11.53026519      8.47920647    -12.70501936
  H     15.96772995     12.76127298     -9.07777393
  O     11.82373828     14.70568406    -12.73255418
  H     12.51996250      8.76762944    -13.88538679
  H     14.29511589     11.38818235    -13.09753629
  O     13.93284466      7.61053212    -10.53983144
  H     12.91521395     10.95502600    -11.05947036
  H     13.88533029     12.12822847    -14.39508134
  O     17.05757542     11.94933861    -12.66350278
  H     14.42361438     10.61272532    -10.92667613
  H      9.82323884      9.53779125    -16.67579643
  O     10.28200623     11.06649622    -14.20592108
  H     15.40096828     14.02094463    -10.74929776
  H      8.60916412     10.28321935    -17.28387611
  O     15.62199037     12.14488705     -8.42119555
  H     16.74244649     14.76887451    -10.57855133
  H     16.33507928      9.62754312    -10.33150470
  O     14.60341889     11.62849090    -13.98713615
  H     10.04459116     11.98351032    -12.65313327
  H     15.69188452     10.51347407     -9.20480536
  O      9.42001555     10.41643783    -16.80145636
  H     10.58263389     13.30867850    -12.09239961
  H     13.24381150     13.66103718     -9.93547815
  O     15.54968227      9.75101387     -9.78233857
  H     11.60433180     12.23713129    -14.63754793
  H     13.72433873     12.87871785    -11.16068114
  O     13.59490520     13.78168709    -10.82743846
  H     12.15149936     13.63127583    -14.27796708
  H     11.63886159      8.27189912    -16.73712488
  O     10.79070075      8.12883119    -16.29798958
  H     17.43636687     10.33831840    -12.10601949
  H     10.98187859      8.14704228    -15.35041211
          69
 Energy    -248.02443607082654     
  O      1.74066086      3.53621953      4.69416486
  H      0.81139172      3.78898771      4.68832820
  H      1.16921004      2.62591729     10.76740322
  O      3.66976291      5.68329363      7.71416194
  H      1.82973596      2.78414559      5.29399146
  H      5.03553835      3.53609300      4.75404158
  O      4.43761345      1.46432238      2.32000757
  H      4.02735768      6.41738956      8.20582712
  H      5.14119546      2.25425081      3.89402132
  O     -0.34884302      2.51204509      2.26000595
  H      2.77216708      5.94413305      7.43144682
  H      5.47783346      1.90367636      6.26894426
  O     -0.98651615      4.24548007      4.27642635
  H      3.85444891      0.81292877      2.75188859
  H      6.38032043      1.36289487      7.40508818
  O      4.02070855      5.06044915      4.97036713
  H      4.96044857      0.98469774      1.68318093
  H     -1.26359679      1.47824179      6.38572178
  O      2.82512611     -0.26134512      3.61618025
  H     -0.24884908      1.65516958      2.69264280
  H      0.23949824      1.07584576      6.48203499
  O     -0.24118851      4.26509563      8.06402577
  H      0.53256550      2.75607490      1.94659416
  H      0.89821517      6.43163047      5.97841532
  O      2.63825489      6.07975017      2.72652435
  H     -0.64917588      5.13634583      4.11845174
  H      0.63150465      5.61390690      7.27852515
  O      3.44110158      2.98165316      8.44081410
  H     -0.85687740      3.70601944      3.47975096
  H      2.49330970      0.82084773      6.39153786
  O      2.34085622      3.34122691      2.00628624
  H      3.18624070      4.56759695      4.89698862
  H      2.35939546      2.12258068      7.22621388
  O      1.11909992      2.42166365      9.83599555
  H      4.05612751      5.37657628      5.87968373
  H      1.62684691     -1.21629203      8.61391093
  O      5.41050215      2.64532645      4.73309166
  H      3.13435279     -0.48973486      4.50330048
  H      2.29179609     -2.58732186      8.81366831
  O      5.46961133      1.49029436      7.15315146
  H      1.86645756     -0.17355394      3.66142554
  H     -0.25624205      0.00885260      8.09920588
  O     -0.65737628      0.72736941      6.34603938
  H      0.12107500      3.62088795      8.68162166
  H      0.48221295      0.69382962      9.26512082
  O      1.20312681      6.28851298      6.87924604
  H     -0.96209236      3.82803367      7.59624873
  H      1.15870124      6.50648573      3.57910721
  O      1.92666395      1.58675847      6.55074018
  H      2.56127399      5.24124367      2.25219619
  H      0.06952694      7.56658816      3.85047127
  O      2.41175985     -1.74248268      8.38833046
  H      3.28973093      5.91837637      3.42242773
  H     -1.82161010      3.51913096      5.60328477
  O      0.21462610     -0.16819083      8.92293065
  H      4.20211227      2.49211600      8.10143419
  H     -3.13374729      3.24391115      6.37904118
  O      0.35490115      6.69023208      4.09608381
  H      3.55526069      3.91278412      8.20581654
  H     -0.31464048      0.22097156      4.64629237
  O     -2.19758782      3.06360436      6.37837530
  H      2.12911859      3.36462666      2.95405600
  H     -0.53870951     -0.73486682      3.45757466
  O     -0.04163228      0.03240128      3.73424333
  H      3.09565110      2.74587149      1.93276372
  H      4.38075810      0.00873994      6.61945744
  O      3.66871453     -0.54511288      6.27668713
  H      1.99726384      2.60633225      9.46491885
  H      3.29161231     -1.04324014      7.01889870
          69
 Energy    -248.02436573625909     
  O     12.05592356      9.81804820    -15.71677881
  H     12.28209681     10.67725279    -15.34119088
  H     16.12523853     12.02060751    -15.81402841
  O     16.97539170      7.11353979    -13.33827013
  H     11.74791338      9.25569114    -14.99487934
  H     15.96692684      8.43458412    -14.06675411
  O     16.38122310     10.97886487    -11.00888760
  H     17.48371799      7.67407140    -12.73429903
  H     15.03543990      8.94577842    -15.21512425
  O     17.52106385     10.93621685    -15.10654451
  H     16.22548498      6.76364779    -12.83757285
  H     10.44123048      7.48748044    -13.73799720
  O     14.71532005      5.95259865    -16.63630726
  H     16.11967476     10.80704292    -10.09546533
  H     11.93212313      7.15726654    -13.98674754
  O     13.72100242      8.30254740     -8.91235584
  H     15.57206488     11.04457344    -11.53271764
  H     17.80788801      8.11340816     -9.92698386
  O     14.68715079      6.43634338    -11.93324246
  H     16.81524779     10.36117437    -14.77337880
  H     16.93125101      8.64283587     -8.77425288
  O     14.15792995     10.84301206    -12.68436383
  H     17.91872345     10.44316346    -15.83232020
  H     13.71756087      5.84714692    -15.00545797
  O     18.12873419      9.16687704    -17.30150031
  H     14.46743167      6.88358690    -16.78209036
  H     13.72571266      5.93581738    -13.45721503
  O     15.39899365      5.98585505     -9.27045868
  H     14.39286633      5.45963250    -17.38687044
  H     18.09606726     11.52293690    -12.04276681
  O     17.35817390      6.88224388    -16.07852216
  H     14.15810142      7.44286299     -8.94305341
  H     18.48202052     11.33416391    -13.51512457
  O     15.31895099     12.24438147    -16.29753879
  H     13.31834422      8.43008077     -9.78244357
  H     18.74467931      9.54476923    -11.99859381
  O     15.47491703      9.19832581    -14.39486078
  H     14.13643313      7.22428055    -11.82016279
  H     17.37800358      9.48135182    -11.36778861
  O     11.31287559      7.87439934    -13.75751430
  H     14.92117965      6.13821792    -11.04546128
  H     15.57037059     10.53028998     -7.58234429
  O     17.36119860      7.84744447     -9.11274280
  H     14.62234654     10.23420283    -13.28302344
  H     14.93702512      9.50424441     -8.55273051
  O     13.14928153      5.94250418    -14.23326252
  H     13.71486827     11.48067782    -13.25478065
  H     16.65878718      9.91819733    -18.05697838
  O     18.85373008     11.38385341    -12.62433577
  H     17.86187450      8.33686803    -16.86540224
  H     15.92108248     10.43429519    -19.31413322
  O     18.12907648      8.91461017    -11.60441164
  H     19.01614549      9.03100204    -17.62325231
  H     13.32521765      9.46053129    -11.88398772
  O     15.70104134     10.09338800     -8.41948945
  H     16.15880061      6.59252060     -9.20238468
  H     12.27176243      8.38641314    -12.23851632
  O     15.82047013     10.29084317    -18.37620666
  H     15.58939327      5.24083668     -8.70748070
  H     12.65453018     13.20458671    -14.86935333
  O     12.94299654      8.62263804    -11.58685695
  H     17.37542993      6.87098939    -15.11100793
  H     13.85557651     12.35169256    -15.33847360
  O     13.05531069     12.34377818    -14.78319013
  H     16.53438924      6.44536788    -16.32459494
  H     14.64338521      9.19156988    -17.44871389
  O     14.17854509      8.59620475    -16.85007556
  H     15.36515718     11.70993808    -17.09767387
  H     13.36920274      9.03430262    -16.54189861
          69
 Energy    -248.02431751703421     
  O     14.05275837     11.58255774    -11.43045701
  H     14.35092644     11.13039420    -10.63379820
  H     16.80420620     10.08174577    -16.29723654
  O     15.93250850      7.28199966    -15.39128541
  H     14.83754544     11.64582309    -11.99367244
  H     16.66588532      5.94221433    -14.44903068
  O     13.99701621      5.24770377    -11.21480374
  H     14.97535834      7.40868416    -15.45258326
  H     16.30478842      4.59390571    -13.81494825
  O     18.69411877      6.99140995    -10.15870267
  H     16.38696640      7.95871176    -15.91044496
  H     18.14823714      8.80709267    -10.05494663
  O     15.71221035     11.24015914    -15.71709363
  H     13.06570353      5.22584021    -11.48100828
  H     18.27434790     10.19737232    -10.73490082
  O     11.52241494      5.50311884    -12.40543897
  H     14.20231174      6.18450391    -11.07554990
  H     16.06493109      8.17959006    -13.81472685
  O     13.18452714      7.47700801    -15.15508068
  H     17.98622668      6.34756335    -10.34103129
  H     17.22861439      8.23305602    -12.81776372
  O     14.49345737      7.95249394    -11.01274734
  H     19.27939935      6.58339585     -9.52559619
  H     11.25352806     11.61416715    -12.87882121
  O     19.31442833      9.56654814    -14.36420002
  H     15.92335910     11.44561916    -14.79768231
  H     12.67590928     11.22284020    -12.41158059
  O     12.58983318      4.70734874    -15.01744086
  H     14.77897286     10.98162076    -15.73108376
  H     14.44739530      4.25383033    -12.61420128
  O     18.86914639      7.20920718    -12.96232749
  H     11.58199795      6.46853378    -12.45416542
  H     14.73206610      2.80651020    -13.07026821
  O     17.40931734      9.35647512    -16.54321237
  H     11.66121332      5.19268015    -13.30668913
  H     13.05226350      9.35964039    -15.58056027
  O     17.00109093      5.25961817    -13.84655305
  H     12.92075821      6.55485468    -15.25537388
  H     12.67603807     10.58890377    -14.72832699
  O     17.81109755      9.71103034    -10.04245514
  H     12.88386148      7.74258121    -14.27306052
  H     15.88315747      5.13139299    -10.83406110
  O     16.32738019      8.54439147    -12.95967872
  H     14.63552530      8.59727981    -10.31043918
  H     16.93258860      5.23180853    -11.94805299
  O     11.93601686     10.95769263    -12.98759389
  H     15.16484288      8.13473377    -11.68772364
  H     19.76508773     11.79250726    -12.14444623
  O     14.65042291      3.70237257    -13.39033013
  H     18.71504823      9.52478475    -15.11792220
  H     19.18486544     10.63832940    -12.99357187
  O     13.10977867     10.32176315    -15.54785435
  H     19.30506807      8.68570314    -13.96317765
  H     12.00279503      9.14277946    -12.72602348
  O     16.83139100      5.20993503    -10.98706986
  H     13.33875282      4.31456645    -14.54286642
  H     12.99454544      8.18125544    -12.01983147
  O     19.04018189     11.17523043    -12.19363420
  H     12.29849423      4.06036773    -15.65582754
  H     16.15877607      9.97005685     -9.55130616
  O     12.24852060      8.21366517    -12.63517325
  H     18.98021715      7.09133480    -12.01046878
  H     15.19907309     10.22328945     -8.36542497
  O     15.21970040     10.04004697     -9.30066682
  H     18.40159525      6.43474710    -13.30148302
  H     16.26829602     10.36748126    -12.98014398
  O     16.33781959     11.33465074    -12.97761794
  H     17.69484828      9.52679795    -17.43659582
  H     17.24051547     11.52033402    -12.69642146
          69
 Ord_Energy   -248.024307    
 O    7.10197401       4.70850754       11.7764587    
 H    7.79900742       5.15222740       12.2514734    
 H    6.80540991       5.31672239       11.0748034    
 O    7.75337267      -9.50995535E-02   10.6312742    
 H    6.89790964     -0.484478176       10.8931799    
 H    8.41766071     -0.479790270       11.1960011    
 O    1.56047308       3.02916074       6.27672195    
 H    2.14422846       2.80753422       5.54172897    
 H    2.06169009       3.61311412       6.86111593    
 O   0.413120687       1.03695190       7.72642708    
 H  -0.522858739       1.18816805       7.82862854    
 H   0.750038326       1.73735404       7.13822222    
 O    6.05159855       6.18328619       9.75124073    
 H    5.11515999       6.30476046       9.95002365    
 H    6.08261204       5.56937218       9.00412369    
 O    3.40883541     -0.417944193       5.28210783    
 H    4.06423426      -1.05877995       4.97710752    
 H    2.72897267     -0.880366385       5.79656410    
 O    2.65698075       1.77604342       9.20616722    
 H    2.76371908       2.69935083       8.93218231    
 H    1.81688845       1.46486950       8.84860706    
 O    3.13763547       4.32023716       8.25886059    
 H    3.04688597       4.96106768       8.97549629    
 H    4.08685684       4.23615503       8.08823967    
 O    5.88882065       4.01183701       7.97004509    
 H    6.19219017       3.39720440       8.65458775    
 H    6.00691462       3.58154774       7.11453962    
 O    5.74140167      -2.97253370       7.30211449    
 H    5.62255812      -2.84011269       6.35510254    
 H    6.37369347      -2.29220366       7.57091141    
 O    4.27664804       1.65817273       11.4132433    
 H    5.09017229       1.93488717       10.9664555    
 H    3.58970976       1.64818716       10.7309580    
 O    5.27718496     -0.976272821       11.2350283    
 H    4.72971201      -1.44015312       10.5903940    
 H    4.81326437     -0.156650648       11.4533377    
 O    1.67268217      -1.44944251       7.07946014    
 H    2.21326423      -1.73629856       7.82618761    
 H    1.16438603     -0.681465507       7.36963224    
 O    3.26514959       6.01373243       10.4852037    
 H    3.56345224       5.40978861       11.1891241    
 H    2.70458746       6.66421938       10.8993034    
 O    7.14805603     -0.577294290       7.92518950    
 H    7.49703264     -0.447940916       8.81394672    
 H    6.27989006     -0.149250656       7.90734863    
 O    6.67658472       2.46129823       10.1555653    
 H    7.18631506       1.65946436       10.3266382    
 H    6.96296740       3.14800334       10.7741060    
 O    5.74018955       2.35282922       5.74499035    
 H    5.40760279       1.78144014       6.45310593    
 H    5.00551319       2.44015527       5.12476730    
 O    4.29707098       4.31939220       12.3424282    
 H    4.16861773       3.37495327       12.1828642    
 H    5.25187922       4.45699978       12.3405352    
 O    3.34565282       2.10360932       4.24918604    
 H    3.15243721       2.11050153       3.31504917    
 H    3.31543350       1.17397523       4.53757572    
 O    5.54145908      -2.04199052       4.55280828    
 H    5.83755159      -2.54924822       3.80190015    
 H    6.20340300      -1.34245622       4.70106983    
 O    4.58380365      0.579361320       7.62054539    
 H    4.14180946      0.210064247       6.84092569    
 H    3.92880821       1.04921579       8.15475941    
 O    3.81183219      -1.88714457       8.94935226    
 H    4.39929199      -2.46571493       8.43770885    
 H    4.02450800     -0.999145865       8.63834095    
 O    7.25201941      -2.80580204E-02   5.19120312    
 H    6.89061069      0.865963459       5.19905376    
 H    7.44339943     -0.235594407       6.11731243    
          69
 Ord_Energy   -248.024292    
 O   -5.41691685       3.72792506       3.64926553    
 H   -4.73675728       3.05702639       3.47489285    
 H   -6.04509497       3.72880816       2.91995740    
 O  -0.288999587       8.56812000       1.86403775    
 H   -1.18450975       8.89574528       2.06152010    
 H   0.226413414       9.32877445       1.60559964    
 O   -2.50216794       2.42764854      0.362233728    
 H   -3.17791080       3.11420512      0.242359564    
 H   -2.72237277       1.71527708     -0.234123364    
 O   -1.35781884       5.17075491       2.78151560    
 H  -0.722596824       5.76428556       3.20528984    
 H  -0.962621927       4.84634638       1.96366024    
 O   -3.90743113       5.87086010       2.71681046    
 H   -4.42603636       5.19087315       3.16740322    
 H   -2.96542001       5.63883448       2.76411057    
 O   -6.89500856       4.26313782       1.26847839    
 H   -6.06807280       4.31212568      0.763761640    
 H   -7.52603436       3.80202198      0.720745742    
 O   -4.30759859       4.54694939      0.238959193    
 H   -4.10285330       5.22325897     -0.421321154    
 H   -4.11233377       4.94841623       1.09762871    
 O  -0.289331704       4.20652294      0.413865000    
 H  -0.922674358       3.48432040      0.325961411    
 H   0.516969442       3.85567713      0.824685454    
 O   -7.09923935       6.95840645       2.40511990    
 H   -6.46678686       7.42794037       1.84469843    
 H   -7.15334415       6.06661129       2.04508424    
 O   -4.82185888       7.88984585      0.998094320    
 H   -4.48140430       7.23549366       1.62853312    
 H   -4.48956537       7.61968088      0.133917794    
 O   -3.90281224       8.03449726       4.58348274    
 H   -4.82182503       8.04646206       4.87484217    
 H   -3.83849669       7.25939989       4.00850916    
 O   0.400825232       6.85737514       4.04284811    
 H  -0.221619204       7.05753374       4.76211643    
 H   0.288717717       7.52861214       3.35880470    
 O   -5.27567244       5.11751413       6.03111362    
 H   -5.42905474       4.51741457       5.28736401    
 H   -5.76150036       5.92247820       5.82099199    
 O   -1.56874335       7.17366838       5.90116501    
 H   -2.36222529       7.60626602       5.56089067    
 H   -1.87915397       6.35722351       6.31104612    
 O   -2.82798600       9.38364983       2.37950063    
 H   -3.15021157       9.12524796       3.25330186    
 H   -3.51724195       9.09263039       1.77050769    
 O   -3.30125237       2.09408665       3.14715266    
 H   -2.90847039       2.10604167       2.26838470    
 H   -2.59990573       2.33226705       3.76916265    
 O   -1.37388659       3.30131197       4.82554245    
 H   -1.81293583       3.73147607       5.57072306    
 H   -1.38230991       3.94229984       4.09772444    
 O   -6.62277889       7.47756529       5.05877113    
 H   -7.37427282       7.93293810       5.42927837    
 H   -6.84248257       7.29023790       4.12965107    
 O   -3.57253981       6.74409771      -1.29331100    
 H   -2.65955734       6.80100775     -0.952389300    
 H   -3.54771113       7.03577900      -2.19998574    
 O   -2.71690750       4.74304247       6.86721468    
 H   -3.64218426       4.89199734       6.60433245    
 H   -2.73322248       4.49048901       7.78709650    
 O   -1.09885585       6.79581547     -0.268316269    
 H  -0.780735195       7.36003447      0.445537448    
 H  -0.714928389       5.91949797     -0.127062470    
 O    1.35873151       4.17851686       4.38450527    
 H   0.546107113       3.76692295       4.70308065    
 H    1.19280839       5.13057423       4.36754417    
 O    1.86621392       3.32413316       1.82170713    
 H    1.73683500       3.59926486       2.74491119    
 H    2.75521970       2.98399734       1.77212763    
          69
 Energy    -248.02423671657215     
  O     12.14112413     12.79157657    -14.50756822
  H     11.60934719     13.56916988    -14.35860046
  H     14.40106560      6.26814202    -15.14274024
  O     17.47080401      6.49042380    -14.07701461
  H     12.76244571     12.74411740    -13.76453875
  H     16.33794169     10.38295461    -14.34862598
  O     18.84273723     10.64139317    -12.65915905
  H     16.66615330      5.97902022    -13.93151904
  H     17.85787505     10.54045627    -14.23513017
  O     18.09948028     13.13763415    -13.82227922
  H     17.34415532      6.95948810    -14.91208026
  H     16.02278713      8.94947980    -19.70959000
  O     14.93385226      5.18188156    -13.73435800
  H     18.93172995      9.69669038    -12.48959889
  H     14.95052483      8.86357695    -18.59615492
  O     15.48089975     10.25348417     -9.13033612
  H     18.34986128     10.99931245    -11.90210107
  H     14.28740159      9.59417438    -13.62757894
  O     13.95127750      6.67469293    -11.71478179
  H     17.65936441     12.66005988    -14.53110993
  H     15.38143554      9.47246560    -12.51422420
  O     14.00244000     12.46072377    -12.45748448
  H     18.61370529     12.45522626    -13.36894897
  H     13.82555881     11.11692242    -16.58177913
  O     13.34069103      8.56363712    -17.96709196
  H     14.77167520      4.25663012    -13.57254060
  H     12.56973521     11.59908088    -15.80205466
  O     16.02986491      8.42218516    -11.16544028
  H     14.54394371      5.67235563    -12.98799903
  H     18.26484238      7.35257562    -12.80972426
  O     16.78107463      8.11034668    -16.27440374
  H     14.60698707     10.44481271     -9.51718317
  H     19.32975059      7.32726705    -11.68807697
  O     14.24537174      7.00398311    -15.74739398
  H     15.36146399     10.20266051     -8.18620780
  H     12.09935011      8.76891089    -12.79183960
  O     17.13924114     10.51908554    -14.88005723
  H     13.17740398      7.24690849    -11.67854919
  H     10.91848280      8.51161852    -11.83004916
  O     15.88840929      9.06043292    -18.77270396
  H     14.70019959      7.22512315    -11.44336940
  H     16.92828171     13.80928374    -12.66978545
  O     15.05160031     10.03079447    -13.23016621
  H     14.42082989     11.63076239    -12.73497181
  H     16.43595273     14.95743855    -11.76079472
  O     12.92278822     10.86971718    -16.33031708
  H     14.71639632     13.08541525    -12.28243418
  H     16.74071316     11.31730426    -10.04773363
  O     18.64173987      7.86506099    -12.07123608
  H     13.02941172      9.35467063    -17.50655028
  H     16.95455865     12.56780217    -10.93019124
  O     11.86230258      8.65018972    -11.85573120
  H     13.47685780      7.89297876    -17.28545242
  H     15.73914651     10.70211205    -17.75760957
  O     16.28236985     14.04211951    -11.98041642
  H     16.96268448      8.25818978    -11.34952966
  H     16.17279286     11.15989755    -16.35743606
  O     17.37818639     11.75884740    -10.62071609
  H     15.95736173      8.98504226    -10.38390821
  H     13.30628097     11.44419059    -11.03220277
  O     15.55161811     11.35337398    -17.07026517
  H     16.61947133      8.35143150    -17.19532982
  H     12.67291650     10.04693240    -10.83348361
  O     13.13807433     10.75656834    -10.37419783
  H     16.97587688      8.93422174    -15.80660129
  H     12.73884468      9.62521704    -15.06027343
  O     12.79844765      8.91879080    -14.40099185
  H     15.11154281      7.40117836    -15.91798172
  H     13.23322834      8.16814124    -14.82927401
          69
 Energy    -248.02407106773404     
  O     17.21953633      9.96385647    -14.92392253
  H     16.96447194     10.86806848    -15.13899416
  H     19.79049280      5.61648741    -14.57020257
  O     13.98936403      7.44498789    -10.26254480
  H     16.99515786      9.83815900    -13.98524057
  H     15.67441127      7.06170089    -10.99991691
  O     16.17370619     12.55048478    -14.88502568
  H     13.55805454      7.39592586    -11.13389362
  H     16.03987109      6.51845792    -12.40852572
  O     15.44570118      8.00302710    -15.76170596
  H     13.46473037      6.91614204     -9.66640869
  H     20.61624193      6.58701143    -16.84364359
  O     19.63905284      8.87617427    -14.32150041
  H     15.46027099     12.17378699    -14.34199909
  H     19.12938314      6.61999176    -16.41476853
  O     20.30560781     11.13447040    -12.90591810
  H     15.78802204     13.25248785    -15.40239216
  H     17.15297372     14.21505591    -10.03695299
  O     19.16713190      7.27318753    -11.98648632
  H     14.58629178      8.40277184    -15.58035593
  H     17.30766055     13.33209402    -11.29850098
  O     13.04238292      7.19899522    -12.80502175
  H     16.10248891      8.68091104    -15.54636848
  H     16.72247083      6.82810670    -16.60121127
  O     13.09918760      9.30527495    -14.78561396
  H     19.89940352      8.19593013    -14.95414199
  H     17.27897750      5.42964141    -16.25619388
  O     14.35618641     11.22393356    -13.27942640
  H     18.80928614      9.25727367    -14.64711971
  H     16.67689502     10.07371896    -11.55402942
  O     14.09464845     12.53700634    -10.94000545
  H     20.16249550     10.33588107    -13.44002588
  H     16.34804606      8.68856624    -12.15930311
  O     19.41725715      5.12222294    -13.83027397
  H     21.20604854     11.41000298    -13.06341223
  H     18.84536025     12.36008559    -12.87837489
  O     16.39953588      6.97029983    -11.63158815
  H     18.22447680      7.15517829    -11.79870702
  H     17.54300235     12.86308164    -13.56179061
  O     20.04103112      6.77050625    -16.10590345
  H     19.24437515      7.84146159    -12.76535782
  H     18.03778234     10.36457719     -9.96940423
  O     16.82808211     13.42259116    -10.45584664
  H     13.68881392      6.59612733    -13.19770446
  H     17.11945544     11.63969187     -9.97562853
  O     17.46021510      6.22911995    -16.76719385
  H     12.95060366      7.92463581    -13.43217358
  H     15.82607190      5.17092668    -14.22696383
  O     16.40755242      9.62859370    -12.36873668
  H     13.46228094     10.04055701    -14.26368726
  H     15.36331562      6.61079767    -14.58118294
  O     18.11699239     12.98769936    -12.79778640
  H     12.28809042      9.62048473    -15.17725301
  H     19.55877283      8.79980353    -10.83690913
  O     17.12286357     10.67632400     -9.91048498
  H     14.10994642     11.77235002    -12.51908305
  H     19.92677100     10.24202165    -11.22626308
  O     15.27428276      5.90321303    -13.92629457
  H     15.01237679     10.59707839    -12.93880889
  H     15.35119367     10.27799661     -9.46391183
  O     19.62001617      9.69898948    -10.49068099
  H     14.93984800     12.95739805    -10.74486265
  H     14.20425018      9.28625129     -9.72432386
  O     14.38694271     10.19764380     -9.47239414
  H     14.05540329     11.75131624    -10.37139692
  H     17.96278868      4.38879134    -14.44584247
  O     17.15128801      4.08298002    -14.89043638
  H     19.40998462      5.73125799    -13.08081949
  H     17.21409927      3.13456205    -14.96027633
          69
 Energy    -248.02406505582405     
  O     15.88211415     13.61649992    -11.78043569
  H     16.52703261     13.92337347    -11.11863253
  H     13.99987791      9.51345688     -7.20362065
  O     16.89544092     13.05796249     -7.54099684
  H     15.52237974     14.39747101    -12.19280084
  H     19.52643080     10.29036810    -10.94472375
  O     15.98505809      7.35660386     -4.74221308
  H     16.85772613     12.25884753     -8.09293459
  H     18.63289634     11.28847014    -11.76822494
  O     13.40109284     10.96079011     -8.12935058
  H     16.04942946     13.13136041     -7.08651149
  H     19.83712055     10.28748602     -7.67972227
  O     20.30956996     13.25677171     -9.62520261
  H     15.32813871      7.70285802     -5.36033985
  H     19.57244583      8.82552097     -7.25525429
  O     19.46397437     12.13359792     -7.15032752
  H     15.87822846      7.87361566     -3.93537641
  H     17.32436201     14.09045325     -9.01829649
  O     20.01582953      8.58158438    -10.51145502
  H     13.65458318     11.73146466     -7.60900457
  H     18.59886192     14.17336674     -9.86397255
  O     16.73705827      8.32632682     -8.28807540
  H     13.71783074     11.11703949     -9.02797208
  H     19.27168946      9.28535346     -2.24874014
  O     15.54696094     10.76817586     -4.94712978
  H     21.13279115     13.52173184    -10.02701215
  H     18.57154994     10.21382736     -3.25523395
  O     14.64680928     11.32726931    -10.68179162
  H     19.96679451     12.51218889    -10.15152666
  H     16.17526519      8.78413336    -11.94093589
  O     14.43687080     12.91036197     -6.22214847
  H     18.57639231     12.52288759     -7.18868544
  H     15.10604242      8.76844392    -13.05680497
  O     14.54497822      8.88544587     -6.70761444
  H     19.94214076     12.55096398     -7.87645696
  H     16.15636130     11.02539468     -9.73561623
  O     19.18197685     11.19157469    -10.97547257
  H     20.79705122      8.06442842    -10.68724972
  H     17.71860079     11.01406866     -9.81333298
  O     20.01098122      9.37015161     -7.92125974
  H     20.03739460      8.81102640     -9.56401222
  H     18.84259715     11.30638136     -5.61584028
  O     17.65989894     14.38920552     -9.87502213
  H     17.34199106      8.17600551     -7.55079941
  H     17.42405945     10.92105961     -5.07066844
  O     18.47647451      9.79543069     -2.38381334
  H     16.86920870      9.24472187     -8.57152210
  H     17.61047979      7.71609248     -5.52317677
  O     15.56781806      9.34619314    -12.45513589
  H     15.53265161     10.35602281     -4.07458591
  H     18.39316242      9.03923324     -5.59612134
  O     16.96546612     10.91173320     -9.21818854
  H     15.23333871     10.09855190     -5.57499237
  H     18.22568098      8.01280576    -10.93983354
  O     18.37447685     10.78018530     -4.95620460
  H     14.94316541     12.15742121    -11.07898805
  H     16.99636062      7.83474735    -10.04536682
  O     18.33932580      8.15561918     -5.98532654
  H     14.82011488     10.62394573    -11.32296070
  H     16.74774190      9.43131893     -2.39895154
  O     17.27471947      7.85892331    -10.97195215
  H     14.78974780     12.19148413     -5.66872681
  H     15.37549403      9.20264335     -1.72185060
  O     15.80217916      9.28054465     -2.57091226
  H     13.90736820     13.46307151     -5.65331598
  H     16.86738466     12.26864038    -12.70124788
  O     17.37250361     11.49494715    -12.98232190
  H     15.23675028      8.59478714     -7.31942066
  H     16.76375224     10.74664847    -12.93621110
          69
 Energy    -248.02361204637833     
  O      1.79633262     -1.20374554     -2.66454307
  H      1.63557795     -2.11960212     -2.40471883
  H     -2.36156276      3.01280250      0.09247594
  O     -0.08774929     -1.08897136      4.92492555
  H      1.02055988     -0.70981949     -2.37002708
  H     -2.39925855      0.18208153      3.99352446
  O     -0.34006001      0.02939698     -1.19942338
  H     -0.95220069     -0.71698001      5.15879539
  H     -2.57395417      0.97910035      5.30361025
  O      1.37250413     -3.74975614     -1.38365908
  H     -0.31305019     -1.77610856      4.29080796
  H      0.71202220      1.79989067      1.48316893
  O      3.11707703     -2.76931999      0.45293113
  H      0.33771673      0.25959313     -0.54901707
  H      0.22308430      2.19148399      2.91167611
  O     -3.72550281      3.06173435      3.27040819
  H     -0.65495108     -0.85679717     -0.97038255
  H     -2.52518123      2.07638612     -2.33030251
  O     -3.63816983     -3.37721993      2.61857517
  H      1.62397043     -4.62358005     -1.67046744
  H     -1.66875517      1.18898132     -1.39890734
  O      0.34271292      1.79682871      4.63973175
  H      2.01560218     -3.47836998     -0.70437346
  H     -1.28167771      0.93832178      2.09936554
  O      3.80155493     -0.39831995     -1.00589917
  H      3.51341334     -1.99812424      0.02752605
  H     -2.62836552      0.31776044      1.60136785
  O     -5.65410367      1.05985938      2.43619701
  H      2.72849530     -2.45075199      1.27702244
  H     -0.24249173     -3.08117711     -0.80071810
  O     -4.76851972     -1.25841678      3.85455214
  H     -4.42310665      2.43204812      3.06192776
  H     -0.96062586     -2.59895070      0.49471751
  O     -2.26876163      3.45607246      0.94156633
  H     -3.27768468      3.26751787      2.43630513
  H      1.52976385     -1.25419446      3.45244471
  O     -2.59704884      0.08571234      4.93894230
  H     -4.08618490     -2.63779868      3.06890893
  H      0.73479214     -1.98432253      2.37049319
  O      0.00925130      2.24947024      1.96781913
  H     -4.04922375     -4.17812762      2.93243250
  H     -2.75705297      2.95882292      4.68633166
  O     -2.44747795      1.77001049     -1.43036438
  H      0.29999444      0.84969589      4.81401353
  H     -2.43443307      3.47203759      6.11057443
  O     -1.89046029      0.19705927      2.21082810
  H     -0.46350141      2.18004217      5.01109059
  H      2.51185190      0.34751628      0.12344802
  O     -0.99710976     -2.57685856     -0.47068822
  H      4.56776235     -0.04762527     -1.45120857
  H      1.69884485     -0.18027087      1.33152766
  O      1.59675275     -1.57919953      2.55035166
  H      3.16144744     -0.65199275     -1.69495994
  H     -1.30792762     -1.43444459      2.28872340
  O     -2.21730225      2.79018192      5.48153726
  H     -5.14420118      0.83775442      1.63742209
  H     -1.86039501     -2.86529740      2.51077617
  O      1.71952247      0.50587283      0.65070424
  H     -6.52435574      1.31825137      2.14250527
  H     -3.83359945     -2.77205845      0.79530899
  O     -1.04746161     -2.37099403      2.34562218
  H     -4.09428222     -0.85565725      4.41952561
  H     -2.88746020     -2.50946899     -0.39094302
  O     -3.78079164     -2.33842070     -0.06538905
  H     -5.19683692     -0.51935417      3.40655381
  H     -4.01560237     -0.59730104      0.14154743
  O     -4.03350661      0.34303174      0.37759032
  H     -1.39824034      3.19329166      1.27551980
  H     -3.60070174      0.84483119     -0.32330037
          69
 Energy    -248.02359597051020     
  O     13.90123739     10.35339396    -15.90188607
  H     13.42787228     11.18212848    -15.94677830
  H     20.66877690      7.02574435    -15.10090132
  O     14.13627604      3.49629915    -15.81594460
  H     14.77248661     10.55198401    -15.52621397
  H     16.70288063      7.64597422    -17.19398497
  O     18.28645204      7.11026771    -12.41758307
  H     13.49372677      2.83635610    -16.06479778
  H     16.97150497      7.31714818    -18.66394917
  O     16.28380286      5.82160203    -19.45390106
  H     13.80303162      4.35169184    -16.14275374
  H     15.96023535      7.32862363    -14.96715451
  O     14.37216693      6.81926049     -9.85502027
  H     18.94435511      7.19824011    -13.11671912
  H     15.11454392      6.53401869    -16.02765327
  O     14.67361727      4.58338712    -13.27954809
  H     17.50020984      7.58532561    -12.73122299
  H     12.83189543      7.76635669    -14.09467053
  O     16.05455481      8.31345634    -13.41540614
  H     15.34294301      6.02366926    -19.49620508
  H     12.98746743      8.80427881    -15.24077082
  O     18.10025947      5.05436686    -15.47450704
  H     16.37008759      5.06718205    -18.85300363
  H     16.11007436      3.64763299    -10.23695649
  O     14.41739371      4.01650491    -10.53193550
  H     15.34491060      6.76900306     -9.86162574
  H     17.28861502      2.85786348     -9.61581915
  O     18.34485883      9.42184735    -16.01265456
  H     14.12400156      7.23040049     -9.03135754
  H     12.99595610      6.66325496    -16.08444166
  O     16.51198172      3.79385606    -17.50312251
  H     14.46615858      4.13586553    -14.10837217
  H     13.39551263      6.22728226    -17.54222967
  O     19.75974240      7.17811620    -14.85340452
  H     15.63599715      4.56408415    -13.18217323
  H     17.74442631      5.38186161    -12.65895914
  O     17.05579168      8.02853821    -18.01291983
  H     15.18500060      8.05732483    -13.07851838
  H     17.43301214      4.03115058    -11.97249566
  O     16.00557295      6.80542760    -15.77609603
  H     16.03867395      9.22439661    -13.72848816
  H     17.20611000      5.51320108     -9.90225054
  O     12.55521394      7.97736914    -14.99608853
  H     17.33379965      5.62812630    -15.64104292
  H     17.60673894      6.78700997    -10.67339117
  O     17.08131260      3.60039421    -10.17602638
  H     17.94498716      4.64403029    -14.61315878
  H     12.95183800      6.89329186    -20.01611362
  O     13.43564063      5.97786869    -16.61007405
  H     14.24813331      4.90747884    -10.20225616
  H     13.83736030      7.70558080    -19.04095201
  O     17.43868446      4.47818547    -12.82727400
  H     14.35450514      4.08161232    -11.49513704
  H     14.00039239      6.23055192    -12.87933225
  O     17.07484419      6.46919970     -9.93279749
  H     18.02368120      9.04117594    -16.84360148
  H     13.82038896      7.10039780    -11.61143656
  O     13.52696735      6.80824856    -19.26077304
  H     18.86945015      8.73160094    -15.59188370
  H     16.76961994     11.56653367    -14.37330620
  O     13.73722680      7.11249438    -12.57323446
  H     15.75276047      3.59447919    -16.94422583
  H     17.11556922     10.31821013    -15.21956097
  O     16.39514980     10.77112605    -14.74214780
  H     17.21509014      4.05497791    -16.89618271
  H     15.47227179      8.92332746    -18.37539861
  O     14.54485797      9.18620918    -18.46588163
  H     19.25677869      6.40515833    -15.16074771
  H     14.29371835      9.58985797    -17.62857310
          69
 Energy    -248.02356536825130     
  O     15.09177307     11.69152981    -10.54167368
  H     15.03634225     12.26495163     -9.78239020
  H     14.30400178      7.76755375    -14.51269862
  O     12.82177238      5.89220907    -12.57758863
  H     15.47111570     10.84887080    -10.23069595
  H     16.61781789      5.41735713    -15.87140147
  O     17.59396264     10.36314954    -14.32663071
  H     13.37780913      5.12334557    -12.75303566
  H     15.34276653      6.10020743    -15.31279085
  O     17.14994988      8.53273552    -12.28245030
  H     13.41093948      6.66363101    -12.56541701
  H     17.20912605      5.82319274    -13.80759130
  O     16.23995987     12.37843017    -13.07968767
  H     17.27205218     11.14626553    -13.85683631
  H     18.69998990      6.19439188    -13.71042775
  O     12.31773104      7.03279917    -10.06254568
  H     16.89954500     10.11266877    -14.95256018
  H     15.36609759      8.24378888    -12.55228310
  O     15.50561078      9.80126082    -16.09822862
  H     17.50442681      7.67600329    -12.55530596
  H     13.98892986      8.97086318    -12.57138354
  O     13.91184524     11.67404475    -14.65707220
  H     17.37697528      9.17406276    -12.96757566
  H     11.58993499      8.58297875    -10.46263300
  O     17.87523592      5.84715365    -17.15247425
  H     15.45851273     12.30487969    -13.64141724
  H     10.39649736      9.53868036    -10.29700998
  O     11.65062522      6.47262649    -15.04556959
  H     15.93472224     12.21416212    -12.17876157
  H     14.62877605      2.96290573    -13.45870531
  O     16.17307237      5.17961701    -11.12470345
  H     13.21235913      6.97992396     -9.70412388
  H     15.14912474      4.32745130    -13.96391589
  O     14.19072256      7.48102429    -15.43363693
  H     12.33241219      6.49947238    -10.86816023
  H     15.44218346      6.19763000     -9.89102187
  O     15.97630216      5.38627892    -15.15024372
  H     15.02371151      8.96857485    -15.98301447
  H     15.24082484      6.34894070     -8.37012779
  O     17.90666358      6.04523848    -13.17649200
  H     14.93965831     10.49132310    -15.73072573
  H     19.88016635      7.54208850    -15.26653835
  O     14.43770878      8.14691012    -12.79856053
  H     13.56346361     11.26421753    -13.84673664
  H     19.26632243      6.25227214    -15.83534421
  O     11.22181432      9.43243817    -10.76135444
  H     13.23609197     12.26872201    -14.97377844
  H     16.62813881      9.05905918    -10.63442266
  O     14.69462222      3.88578491    -13.22690429
  H     17.74882260      6.79784182    -17.32453023
  H     15.69454036      8.50070675     -9.54781019
  O     15.02928242      6.75441156     -9.20787436
  H     18.07525934      5.44129654    -17.99179404
  H     18.42656305      8.89019167    -16.99351000
  O     19.78882396      6.59556792    -15.10014696
  H     11.92491811      6.22564021    -14.14770669
  H     16.89722928      9.03519211    -17.15631670
  O     16.11791467      9.31188914     -9.85089129
  H     10.73503552      6.73160233    -14.97729979
  H     20.44737599     10.04159570    -15.77405502
  O     17.66219420      8.53317703    -17.46365065
  H     16.92600790      5.44520698    -11.66818987
  H     19.05707345      9.80783791    -15.14056865
  O     19.74163258      9.40421613    -15.70148220
  H     15.63235421      4.63117175    -11.70416659
  H     13.77672746     11.00316431    -11.61245031
  O     13.18089155     10.58511237    -12.24915362
  H     13.28214326      7.15839506    -15.50284864
  H     12.42171270     10.23928700    -11.75603206
          69
 Energy    -248.02345477548738     
  O     10.91482387      8.33851435    -13.54084056
  H     11.46199226      7.85278378    -12.89611790
  H     11.45855386     13.36631971    -15.35752223
  O     16.87448458      8.02298969    -14.21464969
  H     10.02290503      8.01636903    -13.44272772
  H     14.03769659      9.25955564    -14.78774235
  O     16.73465721     11.84013498    -11.84579160
  H     17.58314652      8.60900885    -13.91825159
  H     14.60240085     10.13449669    -13.61575336
  O     14.62476259     13.35009909    -15.33190371
  H     16.10223463      8.60475283    -14.28908065
  H     13.13914804      7.47978231    -11.26486242
  O     14.79844926      6.28774363    -15.26956213
  H     16.75031247     12.64291250    -12.37862660
  H     13.02830385      6.25618349    -12.19952808
  O     16.39805792      8.93609471     -8.40906485
  H     15.82356026     11.51010150    -11.84164770
  H     20.76092151      8.90397005    -10.69981690
  O     16.28519030      6.56812100    -11.92445770
  H     15.30725686     13.64901098    -14.71949364
  H     19.30405687      8.39484765    -10.59125067
  O     14.27162441     10.67679154    -11.93916104
  H     15.05715380     12.71237772    -15.91185882
  H     14.08734597      4.04503887    -13.11180036
  O     18.15282367      7.24923799     -9.95743870
  H     14.10039488      6.91978787    -15.49244829
  H     14.38160232      5.37737234    -13.84469942
  O     15.74811237     11.06141539    -16.66905408
  H     15.60090720      6.79514369    -15.09953589
  H     17.43567478     13.31483516    -14.28149110
  O     18.12910473     11.98595597    -15.19726964
  H     16.32672740      9.07852424     -7.46929563
  H     17.41144108     14.74728754    -13.69304433
  O     12.01426992     12.60853055    -15.19245701
  H     16.93033893      9.67034285     -8.76541609
  H     17.82576043     10.63335566    -12.71061418
  O     14.80124387      9.77065470    -14.48758582
  H     16.54911033      7.03808972    -12.72855930
  H     19.06405654      9.73778538    -12.48532538
  O     12.53391037      7.00810545    -11.85083775
  H     15.64700160      5.89530176    -12.18965961
  H     17.53516046     11.29935524    -10.28150602
  O     19.86015118      9.12396551    -10.92077222
  H     13.33921391     10.85055066    -12.13664718
  H     18.71795520     10.36706018     -9.95302659
  O     14.20400027      4.98072052    -12.97251633
  H     14.33257222      9.87571301    -11.40073228
  H     12.37114650     11.26922466    -16.46705580
  O     16.91598063     13.93361794    -13.73680851
  H     17.57831283      7.69122681     -9.32067905
  H     13.64855702     10.85510916    -17.20145611
  O     18.46389905     10.06444439    -13.16695575
  H     17.56495877      6.87458330    -10.62780523
  H     15.11813701      8.55041715     -9.70181667
  O     17.96806588     10.82659324     -9.55692383
  H     16.06583163     10.39759937    -17.27771407
  H     15.22619492      7.74877624    -11.01788444
  O     12.73373351     10.59763654    -17.06167817
  H     15.43154718     10.59398513    -15.87362018
  H     11.76430810     11.53488921    -13.66014726
  O     14.64280571      8.33416483    -10.51352121
  H     18.38148640     11.27154341    -14.59512652
  H     11.37131789     10.13719207    -13.11355100
  O     11.74176621     10.99183439    -12.86222172
  H     17.44089343     11.63284412    -15.77024632
  H     12.06122890      8.23998133    -14.97903017
  O     12.78884415      8.24488759    -15.61487705
  H     12.93182115     12.93438442    -15.17617648
  H     12.64391042      8.97967194    -16.22907950
          69
 Energy    -248.02334856438733     
  O     17.24873091      7.86539224    -15.73302011
  H     16.47949287      7.29915450    -15.57321679
  H     19.61873065      3.97171055    -15.07084723
  O     20.58593389      6.27039572     -9.93296711
  H     17.84769594      7.36777412    -16.30334426
  H     17.94602147      3.40724779    -13.07230057
  O     14.97461739      9.56423051    -10.09637548
  H     19.91392279      6.93519060     -9.69410875
  H     17.17419125      4.55630206    -12.35171022
  O     13.28273586      9.91251150    -15.35510934
  H     21.35551439      6.45368607     -9.40155068
  H     15.17965448     10.22143447    -15.48028906
  O     18.87021945      6.11254703    -17.18514372
  H     15.88926272      9.62875934    -10.40656939
  H     16.57652840      9.56981014    -15.58612854
  O     12.93564570      7.79436893    -12.30534156
  H     14.44558946     10.00835344    -10.76813359
  H     18.86433764      7.16212323    -12.98368803
  O     18.48501719      4.32841150     -9.54284452
  H     13.01788819      8.98252090    -15.28330567
  H     17.93725499      7.87161576    -14.03247132
  O     14.67518466      6.85553733    -10.28803473
  H     12.65674191     10.32989245    -15.94283082
  H     12.65640140      7.37528571    -13.92386162
  O     19.97829443      5.76726263    -12.61018420
  H     19.40226286      5.66814741    -16.50020368
  H     11.77381835      6.75209923    -15.03717847
  O     16.61285430      5.98239545     -8.46959651
  H     19.41657895      6.17083712    -17.96397172
  H     17.61278390      3.20757641    -15.38862401
  O     16.08580608      5.99700450    -12.51091193
  H     13.38581824      7.34234219    -11.58170271
  H     18.16484749      1.79883684    -15.06238629
  O     20.15085117      4.76283428    -15.22122008
  H     13.25279398      8.70678181    -12.28897770
  H     14.72701201     10.91821602    -12.65663042
  O     17.90441228      3.92616985    -12.25991506
  H     19.28751590      4.85877793     -9.61885013
  H     13.55756319     10.40865568    -13.50348315
  O     16.12257173     10.39825867    -15.38132119
  H     18.27591446      4.02960125    -10.43826943
  H     17.82385632      7.44649235     -8.98528852
  O     18.13150436      7.78358055    -13.09022784
  H     15.23918740      6.45433369     -9.61548273
  H     18.24749077      8.66273606     -9.85385701
  O     12.57139024      7.25281973    -14.88942582
  H     14.74295506      7.81464191    -10.15134561
  H     17.78028601      9.03627592    -11.87647708
  O     18.18046714      2.70769139    -14.77492211
  H     20.34069673      5.96531624    -11.73753264
  H     17.28230336     10.48593232    -11.75902073
  O     13.86009370     10.49537644    -12.59144253
  H     19.29884509      5.08944419    -12.47432690
  H     14.25686661      6.46141402    -15.12207085
  O     18.58333847      7.96122057     -9.28192464
  H     16.51119950      5.78570007     -7.54169983
  H     15.40041311      6.01954156    -14.16731937
  O     17.54455604      9.72143417    -11.23216396
  H     17.24006323      5.32923288     -8.82626320
  H     16.10338791      4.84553332    -16.04544055
  O     15.16003230      6.12855949    -15.10035235
  H     16.77263155      6.66674965    -12.64054455
  H     17.40999617      4.87500701    -16.86503042
  O     16.76316412      4.27902861    -16.46813238
  H     15.56099454      6.26924388    -11.74709592
  H     16.64319622     12.55408116    -13.13463276
  O     16.44793356     11.63079394    -12.99802307
  H     20.27051018      5.16824737    -14.35215029
  H     16.42439519     11.21403036    -13.87862698
          69
 Energy    -248.02333987277655     
  O     -3.32247355      1.83980617      1.54037049
  H     -2.39460290      1.72224442      1.26849348
  H     -2.55698845     -6.79122582      0.42470896
  O     -2.27404183     -0.68271737      6.42096844
  H     -3.54537437      2.75130913      1.37277005
  H      2.75560411     -2.98629070      1.95372790
  O     -3.07523199      0.24186052      3.86388861
  H     -2.60037720     -0.23501056      5.62892512
  H      3.57455887     -1.71400008      2.22754232
  O      2.53972640     -3.28947104      5.12732600
  H     -1.36276878     -0.94002612      6.22981865
  H     -0.78401109     -1.70667978      0.68776057
  O     -3.62647309     -2.96418755      6.93777643
  H     -3.55773590     -0.55131088      3.58733936
  H     -0.52084648     -1.46438036      2.20033001
  O      0.13499474     -1.86561507      5.44542655
  H     -3.24857767      0.91063226      3.19047692
  H     -2.48421169     -4.71328018      1.96418587
  O      0.67818946     -5.41771783      4.42716707
  H      3.31517549     -3.48383295      5.64758155
  H     -1.86624222     -3.30056796      2.12609505
  O     -5.81538184     -2.82160509      5.19768788
  H      2.85442090     -3.02247059      4.24670517
  H      1.31056669     -4.61431707      1.12283904
  O     -0.73387795      1.31013049      0.91162269
  H     -3.54001096     -3.18730094      7.86092351
  H      0.76876029     -3.15962427      1.17970446
  O      0.64696013     -6.10274245      1.73318506
  H     -3.18208451     -2.10551149      6.81274430
  H     -3.85064770     -2.72252868      2.76344026
  O     -1.76663330     -4.23768206     -1.27885932
  H     -0.48712413     -2.59484559      5.30253546
  H     -5.03772125     -2.27766716      3.66792001
  O     -2.07877855     -6.02957799      0.74122776
  H      1.01285166     -2.26519508      5.44678655
  H      1.19849166     -3.34895584     -0.83641461
  O      3.30761711     -2.54311157      2.61725682
  H     -0.15382568     -5.05018091      4.75169897
  H      1.50387306     -3.35102041     -2.35286683
  O     -0.65972658     -2.15188903      1.53488476
  H      1.35677139     -4.78315524      4.68283698
  H     -0.03302407     -0.65487665      4.09163420
  O     -2.53019105     -3.90649732      2.49025495
  H     -5.10744273     -2.90776601      5.85413801
  H     -1.29420604      0.04929696      3.54335884
  O      1.50999561     -3.70000614      0.86641388
  H     -6.61422533     -2.64980161      5.69032778
  H     -1.58514203     -1.08109238     -1.27181060
  O     -4.45945542     -1.99319960      2.94758422
  H     -0.63156318      0.65743510      0.20661694
  H     -0.08887230     -1.48527768     -1.32659097
  O      0.85425588     -3.08523689     -1.70752296
  H     -0.39716207      0.90413275      1.72118577
  H     -3.69242490     -1.41217347     -0.83518013
  O     -0.36064475     -0.12563026      3.35163766
  H      0.64387017     -5.96204123      2.69279795
  H     -3.82065785     -1.67680501     -2.35280427
  O     -0.70451774     -0.84404382     -0.94897152
  H     -0.27195193     -6.19210428      1.45810555
  H     -2.38248511     -3.78270803      5.71917455
  O     -3.24583256     -1.81141511     -1.60410622
  H     -0.88130005     -3.92800530     -1.50141003
  H     -2.03110246     -3.99815212      4.21573975
  O     -1.66274067     -3.98108736      5.11122072
  H     -2.34893245     -3.47421210     -1.37680312
  H     -4.08507075      0.25386993      0.80191194
  O     -4.36991205     -0.62349284      0.52139154
  H     -1.97310096     -5.42833867     -0.01793081
  H     -4.52068503     -1.12908574      1.33173929
          69
 Energy    -248.02311113284895     
  O     11.01180971      8.81467886    -14.00363713
  H     11.00467992      9.57243993    -13.40623863
  H     18.09493730      9.40189732    -16.90404114
  O     17.60963026      8.58030191    -13.99850856
  H     11.32402746      9.15533379    -14.85073995
  H     19.10861391     10.91101269    -15.54846623
  O     15.91166310     11.85404057    -11.45946610
  H     18.12923906      8.63614637    -14.81006841
  H     18.89937213     11.52565559    -14.14840183
  O     15.02727860     13.46168262    -13.57042500
  H     16.77498299      9.04287843    -14.17210338
  H     13.41989629     12.65358825    -14.35687456
  O     14.41470162      6.48018089    -14.61725937
  H     15.21149140     11.21176261    -11.65377168
  H     12.11901051     11.97882047    -13.88685299
  O     15.52020745      8.34089328     -9.02878256
  H     16.14497228     11.70115292    -10.53529492
  H     15.62887902     10.75225710    -14.91004414
  O     16.38629882      6.68876697    -12.42743933
  H     15.05504824     14.38758985    -13.33887063
  H     14.93820812      9.38796207    -15.18695444
  O     13.94788028     10.05953846    -12.13410488
  H     15.37654648     12.97765844    -12.80525543
  H     11.64058054      7.33089181    -13.36504050
  O     16.56680807      9.93474509    -17.56716450
  H     15.12535828      6.38233433    -13.97443725
  H     11.37415002      5.85465945    -12.98452467
  O     17.84088666      6.97177547    -10.00256135
  H     13.59443045      6.41493348    -14.11273328
  H     18.10512275     10.04972561     -9.50108522
  O     16.31430046     12.17757000    -15.76702871
  H     16.29392393      7.79654527     -9.22293548
  H     18.81725959      9.97025815    -10.85555174
  O     18.90219048      9.16660458    -16.41166234
  H     14.84332180      8.04126766     -9.64905076
  H     17.53785165     11.18583386    -12.19257177
  O     18.93449445     11.74211136    -15.08975194
  H     16.90149556      6.63201870    -11.61262917
  H     18.14673420      9.97168284    -12.94937200
  O     12.62520486     12.21280355    -14.67602443
  H     16.87784201      7.29930117    -12.99713948
  H     16.38818335     11.19667088     -7.97234114
  O     15.28271755      9.95596370    -14.48504221
  H     14.34742060     10.00849868    -13.01721816
  H     16.05487744     10.00412327     -8.89865508
  O     12.05066499      6.52622013    -13.00091234
  H     13.96002984      9.16923782    -11.76004618
  H     14.35362633      7.63990611    -15.99778242
  O     18.75428347      9.53492606     -9.99486169
  H     16.37648041     10.78737986    -17.15586470
  H     13.52953994      8.85555514    -16.56853812
  O     18.37069200     10.78728563    -12.47659303
  H     15.81441712      9.35936680    -17.37298862
  H     13.27241418      7.07720172    -11.71427641
  O     16.46611940     10.88727663     -8.87093189
  H     18.24859309      7.85591224    -10.03405569
  H     14.82296979      7.16793618    -11.65588372
  O     14.38653460      8.40957418    -16.58754700
  H     18.46093592      6.40095633     -9.55642549
  H     12.34624315     10.74527620    -12.19388679
  O     14.00712697      7.46590410    -11.22418070
  H     17.26257033     12.13606548    -15.56040253
  H     11.11415358     11.38864733    -11.50907406
  O     11.45116996     11.09675775    -12.35154645
  H     15.91692266     12.79072021    -15.13907736
  H     11.61152394     10.39020875    -17.05135547
  O     12.11973966     10.07122578    -16.30920529
  H     19.50041225      8.76875583    -17.03784827
  H     12.37085397     10.85568957    -15.79060553
          69
 Energy    -248.02305276306959     
  O     13.74305331     13.55208815    -15.09503622
  H     13.18209623     14.23087147    -15.46357224
  H     14.88818098      7.31838895    -15.54434891
  O     16.36507102      6.32207671    -13.03488596
  H     13.62650860     12.76554317    -15.65318248
  H     18.24073270     10.34442728    -14.04877761
  O     19.29494154     11.23063414    -12.83609783
  H     15.53611816      5.84543197    -13.16876696
  H     16.70179344     10.16136643    -14.07656735
  O     18.17354782     13.78279768    -13.60316662
  H     16.63279071      6.62406131    -13.91163039
  H     15.48886395      8.46274320    -18.32077627
  O     13.66558531      5.32505083    -13.48099106
  H     20.18776450     11.09713396    -12.52976920
  H     16.72284915      8.14885321    -19.20017841
  O     15.66847646     10.11194123     -9.35137041
  H     18.73470712     11.31104706    -12.04272991
  H     14.98678500     11.24587531    -12.83434535
  O     12.77581541      7.12437200    -11.66751981
  H     18.65268519     12.95508679    -13.48870854
  H     15.21267723      9.71401664    -12.52389996
  O     14.31792939     12.89268594    -12.39000119
  H     17.67591204     13.71394143    -14.43185667
  H     14.59692726     11.08903054    -16.67174801
  O     13.76683011      8.61431537    -17.98862696
  H     13.26800916      5.91654240    -12.81636375
  H     13.33791477     10.62811376    -15.86104966
  O     15.27923017      8.29237973    -11.45980485
  H     13.31370045      4.45389970    -13.32081375
  H     10.58919197      9.89705145    -12.29563801
  O     16.71330190      7.55543833    -15.61411083
  H     14.82122553     10.44718589     -9.69730741
  H     11.92981226      9.62474665    -13.01279448
  O     13.92964681      7.18038241    -15.55945420
  H     15.56928995     10.04307301     -8.40555647
  H     16.78599709     15.03332026    -11.07025521
  O     17.51746515      9.98106874    -14.57160570
  H     12.17173863      7.86868249    -11.75783678
  H     17.18436548     14.12043847    -12.25788378
  O     16.46253051      8.44150170    -18.33110196
  H     13.64163192      7.52460443    -11.49538932
  H     17.00686619     11.11227134    -10.21823289
  O     15.21817500     10.39098720    -13.21723407
  H     15.06367008     13.42590129    -12.08178395
  H     17.25820991     12.50970060    -10.83543565
  O     13.64059163     11.21308680    -16.57140327
  H     14.08321697     13.19154683    -13.27735930
  H     16.87183200     10.65147364    -16.10413859
  O     11.49375090      9.63435842    -12.14403407
  H     13.65971207      8.03896547    -17.21768688
  H     16.53107298     10.18568910    -17.53310970
  O     16.60026293     14.19297644    -11.47918539
  H     13.52886303      9.50179146    -17.69958979
  H     13.58429546     11.81517302    -11.06054978
  O     17.64588753     11.63380930    -10.71744462
  H     15.66305889      8.65403175    -10.65477375
  H     12.70302392     10.55928303    -10.93545784
  O     16.41864250     10.91902384    -16.91823660
  H     15.85352580      7.62535492    -11.86413153
  H     15.63233612     13.65312633    -15.57904769
  O     13.36885820     11.07927726    -10.47108592
  H     17.07578561      8.35709038    -15.20778191
  H     16.58230933     12.72909105    -16.35729976
  O     16.55564165     13.53638869    -15.82862110
  H     16.76141489      7.70185345    -16.56635270
  H     13.19025659      8.65486540    -14.81689033
  O     12.97142155      9.52901229    -14.46607120
  H     13.74990372      6.45819273    -14.94495040
  H     13.77830402      9.85703017    -14.03691692
          69
 Energy    -248.02294726614014     
  O     -3.34772546      3.15337895     -1.27087108
  H     -2.76820008      2.54610593     -0.78046288
  H     -5.82589664      1.78986681      3.37422105
  O     -1.22163554      1.97270807     -2.95658742
  H     -4.06394598      2.60914512     -1.62051642
  H      2.29908447      2.16883294      1.43526598
  O     -4.31990303      4.12245163      1.25952611
  H     -1.92816573      2.57535806     -2.70399979
  H      1.18179387      1.11504391      1.62609708
  O     -1.34102773     -1.42989081      3.10208819
  H     -0.47195789      2.22890922     -2.40307301
  H      0.10457697      3.81553755     -0.98970119
  O     -0.16905676     -0.45565520     -0.88274499
  H     -4.12838842      3.81506637      0.36512582
  H      0.82276058      2.67663839     -0.22106364
  O     -3.01212771     -0.17016517     -2.99619229
  H     -4.64991112      3.36101459      1.75184881
  H      3.23377725     -0.75967358     -0.18438266
  O     -3.00937227     -2.16410096      0.88369802
  H     -0.51350011     -1.18116896      2.65696440
  H      3.82520383      0.15132991      0.90086089
  O     -1.97089983     -2.44292798     -1.58303253
  H     -1.10259083     -2.04890034      3.78862508
  H      3.89066087      2.18659167     -0.02872314
  O      0.88051592     -0.73155890      1.65577828
  H     -0.71819316     -1.19751314     -1.16782822
  H      4.87051068      2.59177953      1.09981596
  O      2.39556107     -0.48194766     -1.91411467
  H     -0.76910336      0.25655105     -0.61892543
  H     -4.41719997      0.61044377     -2.42300332
  O     -2.78859993      0.96829741      3.70294452
  H     -2.27756807      0.45972291     -3.04677187
  H     -5.89325976      1.05177738     -2.60071881
  O     -5.14380552      1.80178295      2.70839924
  H     -2.67248232     -0.97822515     -2.59761803
  H     -1.31815707      3.72673561      2.41909054
  O      1.34375475      2.06217522      1.52040328
  H     -3.65394078     -1.44496799      0.81836586
  H     -0.15996388      2.67929951      2.28886668
  O      0.67103972      3.03855856     -1.10269485
  H     -2.46801030     -1.97491887      1.65867086
  H     -4.88962018      0.68614565      1.26757146
  O      3.46793769     -0.73310330      0.75253293
  H     -1.98038035     -3.35384568     -1.86248302
  H     -4.87074284      0.45477505     -0.28121901
  O      4.09097811      2.07462898      0.91887889
  H     -2.37139405     -2.41487857     -0.69445267
  H     -2.78903463      0.83755431      0.49452024
  O     -5.14631346      1.11392092     -2.01243186
  H      0.46708168     -0.71766607      0.77961830
  H     -1.71703274      1.80991612      1.08788992
  O     -1.08749335      2.79729431      2.53750577
  H      1.82653232     -0.87075679      1.50203747
  H     -1.41158010      5.26057129      0.20798872
  O     -4.52854720      0.13337037      0.56250429
  H      1.47203643     -0.41876098     -1.61931089
  H     -2.03157800      4.56801548     -1.01378414
  O     -1.97574525      1.32012726      0.29687084
  H      2.38907821     -0.98678558     -2.72373905
  H     -2.92194581      5.00407445      1.80149798
  O     -1.22887294      5.00496165     -0.70414962
  H     -2.15097420      1.64986604      3.44386907
  H     -2.20123672      6.18500177      2.50018297
  O     -2.04771422      5.37765308      2.01749693
  H     -2.34775499      0.12403821      3.55514718
  H      2.40560352      2.66049540     -1.61183690
  O      3.26535709      2.21711478     -1.65437028
  H     -4.32298490      1.49484010      3.13724631
  H      3.06160049      1.29876507     -1.87216119
          69
 Energy    -248.02268361934165     
  O     15.90763302      8.37521112    -15.95542185
  H     16.51724385      8.26297337    -15.21298855
  H     12.60392514      8.61400353    -14.67854209
  O     14.37689318     11.71032082    -15.02921474
  H     15.04172806      8.55011775    -15.56889700
  H     17.05336127      9.33966183    -18.72230858
  O     20.84040845     10.19333666    -10.89059713
  H     13.88249063     10.88538072    -14.97492508
  H     16.49259453      9.31020777    -17.28060474
  O     20.69736612     12.47787917    -12.34448263
  H     15.23999713     11.52266378    -14.62752571
  H     18.32715345     16.06785752    -12.90926688
  O     14.23832913      9.38270751    -12.04882008
  H     20.87856188     11.06502675    -11.32351428
  H     18.61893263     17.23935630    -11.95975360
  O     18.05297155     10.35263322    -10.38545655
  H     21.63477319     10.11125899    -10.36954656
  H     19.98009459     11.42476914    -15.44898965
  O     17.56277020      8.42879530    -13.69423011
  H     20.72516314     12.10831152    -13.23793885
  H     21.13850141     12.42126053    -15.28381734
  O     15.19203118     12.20110253    -17.67423187
  H     20.97370907     13.40358600    -12.41773811
  H     17.10242596      8.97593895    -10.75689084
  O     18.39453448     14.19676551    -16.16897477
  H     15.00600176      8.92533488    -11.67711763
  H     16.67624062      7.53320090    -10.38129794
  O     21.28923123     15.04233287    -12.97132709
  H     14.29824901     10.28405844    -11.73535455
  H     15.68517159     13.85614304    -17.59651271
  O     18.34338221     11.43820885    -16.18335876
  H     17.88538100     11.21013498    -10.79752896
  H     15.60161651     15.30986995    -18.12238395
  O     13.44661837      9.05917882    -14.64437995
  H     19.00857853     10.22328792    -10.43761238
  H     17.74607936     14.58898841    -14.44909998
  O     16.85030396      9.89437337    -17.97450090
  H     18.51752098      8.59564542    -13.65893687
  H     16.32251378     14.75829417    -13.88417106
  O     19.03571578     16.63688432    -12.57073427
  H     17.27118913      8.19495580    -12.80547749
  H     20.16856732     14.37973640    -15.94398488
  O     20.81665443     11.56394016    -14.97960985
  H     14.82511303     12.01086599    -16.79942319
  H     21.56621951     14.74900745    -16.48665805
  O     16.57993393      8.20621665    -11.04938242
  H     15.72070983     11.43023202    -17.90862834
  H     20.47558428      9.37090270    -12.60358155
  O     15.95554753     14.77568109    -17.41673062
  H     18.36379530     13.23044367    -16.23760250
  H     20.56063465      9.83872660    -14.06921333
  O     17.25833100     14.78493482    -13.63837233
  H     17.62594773     14.52673033    -16.65177960
  H     17.03469629     10.16766174    -13.78506533
  O     21.12130129     14.31279060    -15.76396521
  H     21.31237439     14.92356966    -13.92817881
  H     17.21602917     11.61518677    -13.21141981
  O     20.20959881      9.14218572    -13.50234775
  H     20.57434459     15.66997854    -12.79239290
  H     14.48432510     13.59068928    -14.79750453
  O     16.82266112     11.09991586    -13.92729013
  H     17.94088590     10.91387710    -16.88484524
  H     15.06352364     14.72013347    -15.66679676
  O     14.77537534     14.51172835    -14.76965575
  H     17.78823435     11.32734499    -15.39669088
  H     17.64667891     13.48005050    -12.42114581
  O     17.94288207     12.68279515    -11.96119479
  H     13.69839912      9.11028828    -13.70591830
  H     18.90592866     12.65693311    -12.05466972
          69
 Ord_Energy   -248.022659    
 O   -5.74156284      -5.57173252       5.06869698    
 H   -4.95952511      -6.01235437       4.71316814    
 H   -6.45080709      -5.73283815       4.43127823    
 O   -7.48502493      -8.50226593      -2.37821651    
 H   -7.22364426      -9.16695404      -1.73019230    
 H   -7.93657589      -7.80157995      -1.88919127    
 O   -1.37034106      -7.69362450      -1.44103014    
 H   -2.06215644      -8.35836029      -1.30250573    
 H  -0.685622454      -8.12717152      -1.94422662    
 O   -3.94856715      -7.17905807       1.17856979    
 H   -3.61414957      -6.48948336      0.587828755    
 H   -4.90846825      -7.23339033       1.07500410    
 O   -3.66210556      -9.16061974     -0.781836689    
 H   -4.46469975      -9.68924236     -0.700196564    
 H   -3.67505836      -8.55788422      -2.31901109E-02
 O   -8.30627632      -6.31462049     -0.740551591    
 H   -8.90000916      -5.92581654      -8.68282393E-02
 H   -7.75964975      -5.58695221      -1.07345414    
 O   -6.53412342      -2.12256336       2.84308934    
 H   -6.13176966      -2.26938415       3.70699120    
 H   -6.30326128      -2.89967990       2.31099272    
 O   -4.92231369      -7.54454136      -2.83064675    
 H   -5.83612823      -7.86192799      -2.80492711    
 H   -4.42869139      -8.09606075      -2.21484876    
 O   -5.08015490      -1.07079148      0.653070569    
 H   -4.33998871      -1.69303536      0.670286119    
 H   -5.53252602      -1.18780684       1.49909961    
 O   -7.12079334      -1.50864434      -1.06458294    
 H   -7.28491926     -0.741497874      -1.60570884    
 H   -6.35509682      -1.29697299     -0.499321461    
 O   -6.62583160      -4.22603130      -1.35183275    
 H   -5.86189175      -4.39794731      -1.91752291    
 H   -6.81945848      -3.27974796      -1.38121462    
 O   -6.70307255      -7.73149681       1.02446437    
 H   -6.97250795      -7.29306555       1.84150362    
 H   -7.19920349      -7.28306818      0.324195802    
 O   -9.69200611      -4.96486521       1.35700548    
 H   -9.38906002      -4.04348469       1.26503789    
 H   -10.6245718      -4.92568398       1.55254424    
 O   -4.39092255      -4.93995285      -2.85165286    
 H   -4.08965778      -4.66091347      -3.71167016    
 H   -4.58518791      -5.89551067      -2.91193438    
 O   -5.77905035      -4.35097742       1.31647563    
 H   -6.12514353      -4.33239365      0.414760739    
 H   -4.87515879      -4.01303053       1.26673639    
 O   -8.74100399      -2.42975092       1.15219772    
 H   -8.33637524      -2.07798934      0.351327002    
 H   -8.12847424      -2.20870829       1.86758935    
 O   -3.38702536      -6.60487366       3.81263018    
 H   -2.74814677      -7.23314333       4.14108801    
 H   -3.55820847      -6.84324932       2.88707900    
 O   -3.26058173      -3.19507217      0.985304236    
 H   -2.88440943      -3.89726949      0.440130502    
 H   -2.98956513      -3.34255958       1.90523505    
 O   -2.90285921      -3.77627087       3.62510467    
 H   -3.58960986      -3.38422179       4.17781734    
 H   -2.98778152      -4.73122835       3.73498559    
 O   -5.17663956      -2.92051482       5.18512535    
 H   -5.42649269      -3.86155534       5.22006178    
 H   -5.15262794      -2.60856748       6.08576536    
 O   -7.45878506      -5.85249949       2.88823652    
 H   -8.32053185      -5.59770870       2.53871655    
 H   -6.80959225      -5.33508205       2.38205504    
 O   -2.73173785      -5.41627693     -0.625994980    
 H   -3.26867557      -5.18735790      -1.39586902    
 H   -2.12442636      -6.11474895     -0.908875942    
 O   -6.29515362      -10.1247473     -0.254178107    
 H   -6.45558071      -9.34402752      0.303681731    
 H   -6.67969275      -10.8701439      0.200469777    
          69
 Ord_Energy   -248.022537    
 O   -7.75737000      -2.69404578       3.31353188    
 H   -8.07086086      -2.28273559       2.49468446    
 H   -7.78803205      -3.65444231       3.18417382    
 O   -4.55042171      -7.03034258      0.821330369    
 H   -4.67108297      -6.94355392       1.77601039    
 H   -3.60022020      -7.03964472      0.637905777    
 O   -5.47380114      -6.75122261       6.17203188    
 H   -5.48456335      -7.48847485       6.77569437    
 H   -6.38973475      -6.42580223       6.10469294    
 O   -1.50805807      -4.19918728       1.62412655    
 H  -0.643507421      -3.99653149       1.97606397    
 H   -2.12403631      -4.13331509       2.37123251    
 O   -1.92224562      -6.65257549      0.170843467    
 H   -2.00028992      -6.37935066     -0.750860333    
 H   -1.70634687      -5.85581255      0.672041297    
 O   -7.90073061      -5.60735559       5.76969910    
 H   -8.01471615      -5.64732981       4.80976582    
 H   -7.75941420      -4.67472076       5.97449493    
 O   -4.51674080      -4.03568125       6.13309765    
 H   -5.35660744      -3.55994081       6.13125038    
 H   -4.74276400      -4.96084642       6.29032612    
 O   -5.39146328      -4.38816786      0.411928147    
 H   -6.33146286      -4.59736204      0.330807954    
 H   -4.94801712      -5.24093485      0.498344153    
 O   -2.06126881      -3.31410933      -1.06733024    
 H   -2.89290237      -2.82646990      -1.14635003    
 H   -1.91847229      -3.48798347     -0.129488096    
 O   -4.65372086      -2.31315279      -1.25885451    
 H   -4.91113997      -3.08658099     -0.730155230    
 H   -4.96954155      -1.53465962     -0.784868896    
 O   -3.36002135      -3.92783713       3.65205264    
 H   -3.60700512      -3.92297411       4.58885670    
 H   -3.93531561      -3.28010941       3.21931553    
 O   -5.19429302      -2.40199804       2.29815364    
 H   -5.22410583      -3.11547923       1.64047682    
 H   -6.04186440      -2.43552542       2.76283479    
 O   -5.64675188     -0.362151325      0.513810873    
 H   -5.39406395     -0.980545998       1.22107482    
 H   -5.36890364      0.506530821      0.793124497    
 O   -5.01135349      -5.98705006      -3.24701262    
 H   -4.97578287      -6.46685314      -4.07230711    
 H   -4.09226179      -5.85639429      -2.96726179    
 O   -4.97551823      -6.25897360       3.44598579    
 H   -4.39888954      -5.48448086       3.48497534    
 H   -5.07781982      -6.57250834       4.35310698    
 O   -2.33748364      -5.57786512      -2.50256658    
 H   -2.22251296      -4.72839355      -2.03877735    
 H   -1.59108877      -5.66803026      -3.09033608    
 O   -7.64763689      -5.43310356       2.96993232    
 H   -7.89179897      -5.51581955       2.03747082    
 H   -6.73020124      -5.72594547       3.05579495    
 O   -8.77227402      -3.27485180      -1.46186268    
 H   -9.52427006      -3.15755939      -2.03652644    
 H   -7.99192953      -3.36828709      -2.03678727    
 O   -6.50918722      -3.56062651      -2.93148637    
 H   -6.06541014      -4.40101004      -3.09500504    
 H   -5.84247971      -2.99394512      -2.52021718    
 O   -8.01657104      -5.37842941      0.241751224    
 H   -7.62707615      -6.08799362     -0.294554621    
 H   -8.42368889      -4.73678732     -0.351346403    
 O   -6.53374910      -7.21597481      -1.12460792    
 H   -5.85851049      -7.32979107     -0.438881576    
 H   -6.06592274      -6.84613991      -1.88177252    
 O   -8.24876785      -1.61685693      0.826529980    
 H   -7.47523642      -1.09053612      0.594226897    
 H   -8.46665001      -2.13674879       4.35571596E-02
 O   -7.14888954      -2.83777618       5.98018646    
 H   -7.40692472      -2.67669225       5.05685806    
 H   -7.54212761      -2.14002252       6.49868155    
          69
 Energy    -248.02238361686875     
  O     -4.53729935      4.53964294      1.96914277
  H     -4.63308355      4.90212496      1.07891981
  H     -3.83421252      2.59378016     -1.82406581
  O     -3.30819786     -2.29652169      1.72012767
  H     -3.84770739      5.06635449      2.39102622
  H     -1.35052359     -2.50052269     -0.94684674
  O     -0.92297275      3.12137499     -2.94381694
  H     -2.51966965     -2.76236087      1.41834695
  H     -2.71124516     -2.05970799     -1.50646319
  O     -3.66062102      0.92903623     -0.93897697
  H     -3.81355905     -2.11020022      0.91901521
  H     -0.51720561      3.25204383      3.83734791
  O      1.95301765      0.43062293      3.71995169
  H     -0.92716195      2.19812427     -2.63933095
  H     -0.69165055      3.54597014      2.34164453
  O      1.75252712      4.37855813      1.47416897
  H     -0.65811319      3.10160384     -3.86070792
  H     -2.81638012      6.18575036     -0.20750519
  O     -1.02385785      2.73157170      0.78012795
  H     -2.72956376      0.84122523     -1.18426735
  H     -2.00549078      6.37015493      1.08609636
  O     -0.58006110      1.59862345      4.58385381
  H     -3.69849595      1.28209126     -0.03676207
  H     -3.99759318      2.83503622      1.79161743
  O     -4.47214695     -1.67730561     -0.82654125
  H      2.63275607      0.29044821      4.37532151
  H     -2.63501146      2.31442850      1.27143461
  O     -2.34123469     -0.04412994      2.99514502
  H      2.33573830      1.00373563      3.03742529
  H     -2.21962509      6.64056768      3.67727691
  O      0.09684520     -1.04058689      2.20620358
  H      1.28939182      4.59590375      0.65373786
  H     -1.62080241      5.32664998      3.12902916
  O     -3.67861079      3.47155457     -2.19505431
  H      1.08939799      4.40291509      2.17667248
  H     -0.27837077      0.61394431     -1.24292473
  O     -1.76458377     -2.05384414     -1.69559592
  H     -0.40350100      2.00832054      0.63111316
  H     -1.21829329     -0.37219344     -1.97857436
  O     -0.47859124      3.96764927      3.18796371
  H     -0.74575020      3.45777342      0.20654771
  H     -5.20811769      6.02705433     -1.17005272
  O     -1.92961469      6.37557171      0.12411237
  H     -1.25174583      1.02206565      4.19673087
  H     -4.25315383      4.81467880     -1.25868354
  O     -3.51334070      2.02796161      1.57029053
  H      0.27016201      1.18961118      4.38792980
  H      0.56917947      0.03104218      0.83021915
  O     -2.26770646      6.02867861      2.94717680
  H     -5.33760850     -1.81758991     -1.20139646
  H      1.62480149      1.13090583      0.53766052
  O     -0.98654603      0.56553144     -1.89961407
  H     -4.29035448     -0.72389303     -0.89083093
  H     -0.27109971     -4.00424254      0.93836987
  O     -4.51955216      5.56551905     -0.69913405
  H     -2.77701678     -0.85199990      2.68461301
  H     -0.35576941     -2.49721976      1.26887679
  O      0.82153051      0.71976964      0.19868753
  H     -2.81502248      0.69054009      2.58089554
  H      2.55416069      2.86950513      1.56822362
  O     -0.74518912     -3.20362490      0.72751446
  H      0.76892859     -0.69506416      2.80541969
  H      3.84411993      2.06131079      1.29169869
  O      2.94624166      1.97745291      1.60163977
  H     -0.75724168     -0.67403747      2.48707466
  H     -0.21546608      4.32326732     -1.60805959
  O      0.04276462      4.74188723     -0.77895719
  H     -2.77072443      3.45952642     -2.51865858
  H     -0.62701959      5.40894846     -0.55122554
          69
 Energy    -248.02228694288030     
  O     -2.79741355     -2.76787467      7.71970464
  H     -2.88272900     -2.60164458      8.65447288
  H     -1.80953035     -4.45460389     -0.78984036
  O      1.77302098      0.30885458      3.48884321
  H     -3.32609631     -2.08908058      7.26320673
  H      2.67451249     -2.39007835      2.17395879
  O     -3.14702716      0.08893699      3.95753485
  H      2.31493564     -0.47775556      3.36139425
  H      4.03525775     -2.27596629      2.89870641
  O      1.72422613     -4.06768117      4.69320309
  H      0.99570047      0.01152436      3.98291793
  H      0.18351981     -2.21916756      1.60867209
  O     -4.06391804     -4.65675610      5.95001513
  H     -3.53396499     -0.62773777      3.42785101
  H     -0.51070164     -1.57319725      2.85732233
  O     -0.70608104     -3.18451056      5.89506945
  H     -3.19784836      0.88035711      3.42588121
  H     -2.41538769     -4.55754432      1.25889618
  O      0.68731042     -6.27921867      3.54529093
  H      1.03513131     -3.64813231      5.22305765
  H     -1.78930186     -3.38107789      2.05753696
  O     -5.80899702     -2.96872022      4.73634524
  H      2.18440691     -3.37184923      4.20930250
  H      1.42605609     -3.70444708      0.73227058
  O      0.69350666      1.84698792      1.49548412
  H     -3.33318990     -5.03050195      5.43944982
  H      1.53242484     -2.37692384     -0.10192472
  O      0.72113910     -5.30353375      0.85330388
  H     -3.65584610     -4.14821623      6.66132189
  H     -4.94790355     -2.29680794      3.21833235
  O     -1.66109686     -2.85425754     -1.40259076
  H     -1.31006810     -3.03422948      6.63271526
  H     -3.74722665     -2.75354708      2.36514764
  O     -1.88279592     -5.31412824     -0.33456157
  H     -1.09445637     -3.89839729      5.36929793
  H      0.44800192     -0.74610756     -1.30344220
  O      3.09396713     -2.18722942      3.02811894
  H      1.12575222     -5.50888587      3.95202569
  H      1.32072211     -1.33068340     -2.44124728
  O     -0.66730484     -2.01356413      2.01319513
  H      1.18047905     -7.04945152      3.81539363
  H     -0.61016992     -1.60346424      5.05621921
  O     -2.50794079     -4.03397137      2.06378294
  H     -6.70089554     -3.28843199      4.84252793
  H     -1.43603328     -0.43929902      4.42028468
  O      1.71202575     -2.77652586      0.75783014
  H     -5.22180160     -3.63857874      5.13159940
  H     -0.06076384      1.03296803      0.09128772
  O     -4.31559252     -1.99220250      2.55509981
  H      1.11296453      1.30672256      2.18513576
  H     -1.33238213      0.26457453     -0.35549579
  O      0.88315991     -1.55791522     -1.62557727
  H      1.02413478      2.73221535      1.62499902
  H     -3.43642686     -1.14412423      0.93814537
  O     -0.54717212     -0.80325568      4.51656742
  H      0.66922506     -5.69675920      1.73298448
  H     -1.90221200     -1.20546574      0.97667999
  O     -0.45989914      0.55120893     -0.64876538
  H     -0.14349366     -5.41991532      0.44200652
  H     -4.96220787     -1.62272872      5.80789099
  O     -2.65190322     -0.90388689      0.43629380
  H     -2.12910342     -2.18397849     -0.88856452
  H     -3.92475577     -0.51144348      5.58908347
  O     -4.33600083     -1.05341313      6.27328351
  H     -0.78713654     -2.48746208     -1.58221513
  H     -2.13017749     -4.88046956      3.57479831
  O     -1.81256242     -5.28555506      4.39601172
  H     -2.29158256     -5.91837553     -0.94750841
  H     -1.01751232     -5.77776010      4.15942808
          69
 Energy    -248.02223262280228     
  O     16.43198121      9.58239813    -16.35674869
  H     15.74687769     10.25178662    -16.23919757
  H     19.43794646      7.11283528    -16.94510084
  O     14.48653847      5.99097996    -12.07281111
  H     16.47949940      9.08026565    -15.53284664
  H     17.60059125      7.72973208    -14.10370095
  O     19.35033523      7.21084773    -14.03383381
  H     14.59783464      5.76322726    -13.00699645
  H     16.15036336      7.18446690    -14.27359381
  O     13.35156954      6.86860796    -16.63404405
  H     14.27454318      6.93280011    -12.06864147
  H     14.26468659     12.30575448    -16.12166550
  O     17.19724398     10.38690607     -9.94449118
  H     19.74931286      7.37582494    -14.89812755
  H     14.99856883     11.65370768    -14.92256896
  O     18.72281358     10.92913112    -13.55754239
  H     19.80235422      7.75432552    -13.37591122
  H     17.11939652      7.96559086    -12.10760571
  O     18.31455863      4.70930596    -13.28906592
  H     12.50614106      6.59605932    -16.97988235
  H     17.32998969      6.99158467    -10.93637933
  O     14.30480498      8.77773752    -12.60612181
  H     13.19539136      7.68303976    -16.12240351
  H     13.29668753      8.96173054    -14.18448109
  O     17.11822947      4.01478242    -15.60225560
  H     17.28969889      9.48039337    -10.26938897
  H     13.40643079      9.93548159    -15.36980496
  O     15.11932676      5.77933346    -14.77397264
  H     18.00476202     10.85240942    -10.19221448
  H     19.26729005     11.61533322    -11.95572998
  O     16.79138413      5.23516755    -10.89175132
  H     19.04727149     10.12213045    -13.14133284
  H     20.07203123     12.40749844    -10.90250274
  O     20.17703363      7.67328326    -16.64083918
  H     18.92159239     10.83308557    -14.50149676
  H     20.11917657      9.71533568    -11.44333830
  O     16.66595276      7.95755201    -13.99679064
  H     17.84717843      4.83929825    -12.45640121
  H     19.17901046      8.49064083    -11.54960753
  O     14.45879984     11.46686172    -15.71317558
  H     18.76916569      5.53921340    -13.48967823
  H     15.67151817     10.87194176    -10.58505020
  O     17.49415713      7.89972181    -11.22059950
  H     14.41889909      9.55063524    -12.03953628
  H     14.29911826     11.58162882    -10.47757426
  O     13.03794608      9.08309050    -15.10705930
  H     15.12243664      8.68007817    -13.11229494
  H     17.81837986      5.35055054    -16.78547093
  O     19.55968921     11.61293904    -11.02850346
  H     17.19169700      3.08130493    -15.78009232
  H     17.30000805      6.52633251    -17.64696950
  O     19.97118532      8.89951280    -11.93280412
  H     17.58269808      4.18163288    -14.76146471
  H     16.93979067     11.50560932    -13.53638037
  O     14.85325189     11.08101485    -11.06989323
  H     14.49918823      6.05824566    -15.45986805
  H     15.64770011     11.63944861    -12.68119022
  O     18.10450154      6.10943996    -17.30392010
  H     15.71465080      5.11753667    -15.14775289
  H     18.18577524     10.13860168    -16.39294481
  O     16.02204308     11.80487348    -13.55428694
  H     15.91732619      5.45259002    -11.26581994
  H     19.57452490      9.48439880    -16.40361054
  O     19.11562689     10.30193577    -16.17879060
  H     16.64276932      4.62498986    -10.17482459
  H     16.03082485      8.25558439    -17.57471104
  O     15.80144181      7.43628813    -18.03600621
  H     20.93192690      7.44636940    -17.17634149
  H     14.92941487      7.19790647    -17.70312628
          69
 Energy    -248.02222802057298     
  O     20.99987580     11.35163422    -17.91253075
  H     21.25851831     12.28985014    -17.85807803
  H     17.81770232     11.67231792    -18.13345494
  O     16.53794113     18.15401225    -14.55398632
  H     21.70223953     10.89562010    -18.36754978
  H     14.61316212     12.48973502    -13.24395531
  O     22.48386861     14.85200464    -15.11984785
  H     16.15250566     19.02372959    -14.49423975
  H     15.72759317     11.97238451    -12.30297928
  O     14.07101966     14.07430172    -14.04017653
  H     16.68271861     17.97455330    -15.50097240
  H     20.37342166     17.14887974    -15.07769235
  O     17.01698897     11.24790861    -16.49218495
  H     23.34914776     15.06003426    -14.77867283
  H     20.57564946     16.84427439    -16.58385145
  O     17.39551401     12.24939639    -11.38070176
  H     22.04231010     15.70012030    -15.31040047
  H     17.53681051      9.96324466    -13.51333035
  O     15.88288478      9.67882034    -14.44492183
  H     13.20292739     14.46755342    -14.05302967
  H     18.92590271     10.53677468    -13.82523953
  O     21.59156455     13.96784013    -17.66104927
  H     14.67742837     14.72983748    -13.64806741
  H     16.42569703     15.13949458    -18.97945324
  O     19.44218649     15.89917313    -17.88461867
  H     16.58107532     10.62365743    -15.89997113
  H     15.65028412     14.81852154    -17.69057185
  O     15.88614018     15.79576108    -13.09966014
  H     16.54782145     12.09117389    -16.40365065
  H     18.84758844     16.40242462    -13.14650219
  O     20.22194389     13.50903622    -14.10031259
  H     17.46891221     11.91044252    -10.49160196
  H     18.18743466     17.55929531    -13.96777916
  O     18.37736857     12.01731946    -18.84106146
  H     17.80386087     11.58464952    -11.96410940
  H     16.47865841     16.92061669    -17.56880531
  O     15.00148369     11.68840988    -12.87131136
  H     15.30561680      8.92256019    -14.38885497
  H     17.94271503     17.33743393    -17.45218421
  O     21.04637588     17.04386920    -15.76602777
  H     15.48555628     10.37964793    -13.89574551
  H     18.02425615     13.95157995    -11.86689900
  O     18.32327606     10.33936367    -13.09782179
  H     22.01240739     14.23015156    -16.83287753
  H     19.10253429     14.30604137    -12.88696396
  O     15.74926000     15.48448220    -18.38440601
  H     20.92176260     14.63633086    -17.84388899
  H     20.18064115     11.13222618    -16.24681076
  O     18.98862591     17.02768192    -13.86906963
  H     19.00861407     15.47709833    -17.12476228
  H     18.70586756     11.25123672    -15.80646762
  O     17.06399052     17.56275415    -17.13747722
  H     19.01153146     15.53310466    -18.66861915
  H     18.95993066     14.25374739    -15.19433174
  O     18.42187689     14.70385690    -12.32360515
  H     16.74255131     15.43780286    -12.83466844
  H     18.36414988     15.65874359    -15.08079386
  O     19.61340715     11.20316203    -15.46990759
  H     16.05111000     16.62072523    -13.57226022
  H     18.13208373     13.59816068    -19.51494403
  O     18.31640560     14.84803697    -15.60185256
  H     21.05904126     13.89274351    -14.38943255
  H     18.04550123     14.44180616    -20.80800858
  O     18.02746540     14.50443885    -19.85675436
  H     20.11443047     12.64976297    -14.53259064
  H     15.20526287     13.83392166    -15.49322250
  O     15.85628538     13.71921299    -16.19520397
  H     19.27311160     11.72966559    -18.62898967
  H     16.67301543     14.16466320    -15.92194408
          69
 Energy    -248.02205135715533     
  O     -6.06493892     -2.31276625      5.75730532
  H     -6.91011090     -2.04873246      6.13666370
  H     -7.34835850      0.62957666      2.78395456
  O     -5.63366712      0.53543291      0.30209658
  H     -5.40918423     -1.70957039      6.13001553
  H     -3.42081790     -0.39986009      7.18289064
  O     -6.11026873      1.50915805      5.82557846
  H     -5.73349578     -0.42223589      0.30382593
  H     -3.69701690     -0.24435346      5.66793323
  O     -6.88882335      5.10982465      0.47580212
  H     -6.49490494      0.88710012      0.58129976
  H     -3.41308286      4.55978136      1.18466702
  O    -10.45842667      0.32580651      0.64877186
  H     -6.43621559      1.06514190      5.02358216
  H     -2.06959928      4.33454291      0.44683808
  O     -8.61828647     -1.36883433      6.84547365
  H     -5.40475439      0.95589838      6.18382884
  H     -9.40742592      2.26587256      5.23685334
  O     -3.18091811     -0.19943464      4.03020858
  H     -7.25028838      5.68353359     -0.19455548
  H     -9.20737432      3.11307413      3.95154383
  O     -5.32250282      3.20648174     -0.71480494
  H     -6.40074778      4.40818308      0.00922751
  H    -10.60804804     -0.22715352      3.60429432
  O     -9.22197410     -1.41261976      4.08607602
  H    -11.18806182      0.48190572      0.05684410
  H    -10.79031137      1.30271531      3.65193060
  O     -6.35243491     -2.25959776      0.63439885
  H    -10.80440596      0.41135782      1.55757705
  H     -5.60072930     -2.24806750      3.96318983
  O     -3.88937827      1.75031446      2.14019416
  H     -9.04632757     -1.70385878      7.63005928
  H     -5.60608679     -2.21036919      2.37008581
  O     -7.02294444      0.22807882      3.59945910
  H     -8.66860103     -0.40143994      6.89325791
  H     -9.49964831     -1.31000786      0.98164931
  O     -4.12173512     -0.30311614      6.54460264
  H     -3.76359628     -0.88458283      3.66907604
  H     -9.10564115     -1.99794203      2.30006962
  O     -2.90898818      3.92752558      0.64112637
  H     -3.26701326      0.54376411      3.42049650
  H     -7.67418953      1.55193533      6.59124500
  O     -9.86108366      2.62449475      4.46746625
  H     -4.43421730      3.43899513     -0.41511244
  H     -8.74065310      2.09073599      7.57644760
  O    -11.12579630      0.49751461      3.23068878
  H     -5.41249031      2.25909573     -0.55660794
  H     -5.37229893      5.52021248      1.61141475
  O     -5.20934384     -1.84984378      3.17062310
  H     -8.47210094     -0.81908295      3.92596353
  H     -4.80528023      4.88838366      2.89559070
  O     -8.95259061     -2.01590344      1.34590161
  H     -9.18689125     -1.60457337      5.02844115
  H     -5.53413339      2.87566909      4.68556561
  O     -8.59648862      1.44874229      6.88495396
  H     -7.29999329     -2.19133018      0.84978917
  H     -4.87499502      2.77032377      3.28924992
  O     -4.57361083      5.45968222      2.15032877
  H     -6.26529152     -2.97833213      0.01380464
  H     -8.07640916      2.29696628      1.74718972
  O     -5.36526608      3.36788508      3.87366684
  H     -4.45467118      1.26780144      1.52088262
  H     -8.86337005      1.14148090      1.02519778
  O     -7.98922504      1.44623334      1.29725517
  H     -3.41455159      2.41660959      1.62841587
  H     -7.03372647      3.65403766      3.19678074
  O     -7.88200470      3.79670222      2.75157210
  H     -6.34297138     -0.42159324      3.37413205
  H     -7.68943345      4.36313755      1.99303418
          69
 Energy    -248.02198474929281     
  O     12.72405794      3.15406657    -10.18064104
  H     12.42559138      3.45124829    -11.05093081
  H     17.10756646      5.37294600    -12.84185060
  O     18.18315294      6.57381443    -10.26118493
  H     12.34628013      3.77651281     -9.54784001
  H     10.60807610      8.24834996    -15.88655436
  O     13.84834362      8.52413784    -12.64236594
  H     17.71228315      5.87486379     -9.78308437
  H     11.79745337      7.49223674    -15.27141748
  O     17.35719085      9.11121456    -10.01191601
  H     18.20331944      6.31778044    -11.18982696
  H     13.30815510      5.55608930    -11.65014979
  O     14.28142199      6.20144547     -8.60418679
  H     13.39659034      9.00985165    -11.94191228
  H     13.99168258      6.94608467    -11.77096216
  O     16.64004220      4.70120055     -8.92300075
  H     14.80042568      8.69898205    -12.59120728
  H     14.41293921      2.67979886    -10.18438718
  O     13.54923290      7.25366184    -15.03639385
  H     18.04883928      9.63668361     -9.61928195
  H     15.45211906      1.54405967    -10.04530847
  O     15.85927610      4.34440860    -16.68013544
  H     17.68124121      8.19057601    -10.02943332
  H     13.31562243      9.36830532     -9.83967580
  O     11.63130624      5.21991951     -8.51071213
  H     14.26500830      6.16030588     -9.57469998
  H     12.20330276     10.40041398    -10.15093815
  O     16.15854333      8.30380984    -15.49231255
  H     13.42290478      5.86212214     -8.32873512
  H     11.44698575      7.97769487    -10.33831554
  O     17.82531370      6.22138764    -15.92735672
  H     15.86578297      5.20441518     -8.63686899
  H     10.62738206      6.97731292    -11.19095727
  O     17.71131436      6.10048084    -13.05509107
  H     16.29038327      3.89025516     -9.30805583
  H     16.88440921      8.96572381    -11.81592588
  O     10.83413973      7.60506878    -15.22017930
  H     13.75400200      6.32265501    -14.87365134
  H     16.96011095      7.76698694    -12.78859392
  O     14.05813775      6.08358666    -11.34431734
  H     13.59410015      7.71967912    -14.18565563
  H     14.61619476      8.00842853     -8.68726765
  O     15.36122969      2.46942557    -10.25505455
  H     15.94599452      4.16106798    -17.61240090
  H     15.62315780      9.02637449     -9.27904615
  O     12.54249230      9.54738821    -10.40733847
  H     16.58744904      4.94245969    -16.45498168
  H     10.30096424      6.84867226    -13.73114723
  O     10.93698252      7.15992885    -10.29631825
  H     11.35359291      5.91030289     -9.13917661
  H      9.14531012      6.11705477    -13.01534951
  O     16.59124922      8.65659760    -12.68192971
  H     10.94800196      5.16310957     -7.84829311
  H     15.28428986      4.95935555    -11.93386961
  O     14.71584080      8.92932528     -8.96681428
  H     15.24164815      7.99845028    -15.48746792
  H     15.78440183      3.51444586    -11.74558086
  O     10.06028606      6.37156653    -12.91909133
  H     16.33454078      8.63715061    -14.60333734
  H     12.66523872      4.40766908    -13.38513906
  O     15.80332839      4.25728509    -12.35962297
  H     17.24605434      7.00132079    -15.84457232
  H     11.37691165      5.05074411    -12.77228034
  O     12.11870276      4.46197937    -12.58897460
  H     18.62239154      6.51510129    -16.36096273
  H     14.61767519      4.37828448    -15.36693928
  O     14.11840672      4.54416882    -14.55535601
  H     17.87442440      6.05223296    -14.00292182
  H     14.73322509      4.36964937    -13.82793051
          69
 Energy    -248.02196954672502     
  O     -0.33141126      1.72640893      8.67261320
  H      0.31732238      1.00372059      8.75354460
  H     -4.92994296     -2.16575156      4.62420868
  O      1.29565079     -0.43264618      8.73587348
  H      0.15929575      2.54337222      8.70059421
  H     -1.13794660      0.57565413      4.73594799
  O     -1.88230095     -3.17617196      3.13905585
  H      0.82070271     -1.03559905      9.32542039
  H     -1.92027014      0.60068021      3.40916842
  O     -3.71778831      0.53485150      3.09096551
  H      1.34959695     -0.87993323      7.88247265
  H     -1.84758265     -0.48040142      7.11234461
  O     -3.60507758     -5.00656686      9.24659470
  H     -1.77277962     -3.94781357      3.70869209
  H     -1.09481915      0.88000907      7.23317552
  O     -4.24217229     -2.40988160     10.09673794
  H     -1.05761668     -2.67965760      3.18934350
  H     -3.06607646     -1.86826285      8.68110396
  O     -0.53628148     -2.02082568     10.12299583
  H     -3.99457399     -0.37071033      2.90582156
  H     -2.53997764     -2.66450479      7.47196650
  O     -3.50209974     -4.07872282      6.68365938
  H     -4.03315514      0.72227334      3.98474032
  H     -0.98075255     -4.98795682      5.57902275
  O     -2.89082933      1.17444323      9.83273273
  H     -4.06290371     -5.84024132      9.31944473
  H     -1.47268387     -6.21576234      4.76927045
  O     -4.17353723      0.65401256      5.89695099
  H     -3.62637367     -4.75458279      8.30647134
  H     -4.77329519     -2.64298054      2.06603101
  O      0.50169503     -1.60871706      3.37362924
  H     -4.97257038     -2.12974287      9.52313241
  H     -3.48346268     -2.57953714      2.91960364
  O     -4.98417052     -2.01339459      5.57677887
  H     -4.07708694     -3.34669782      9.92945897
  H      0.33680344     -3.40445581      6.63666796
  O     -1.02595128      0.56192550      3.77872926
  H     -1.07724955     -2.00184303      9.31841450
  H     -0.12212483     -4.49635612      7.65663948
  O     -1.48057295      0.26006845      6.60092221
  H     -1.09487736     -1.65353928     10.81772798
  H      0.80181753     -1.68228644      5.23569585
  O     -2.37188013     -1.88109070      8.01054964
  H     -4.05741007     -3.41832141      6.24555256
  H     -0.03560683     -0.99443630      6.32040249
  O     -1.67049059     -5.30430256      4.96352906
  H     -2.95164480     -4.51703556      6.02295139
  H     -2.87315539     -0.98973144     12.63822567
  O     -4.39934026     -2.25262302      2.85110734
  H     -2.76446922      0.53529228     10.54417764
  H     -3.27549364     -1.49142114     11.22922230
  O      0.05662996     -4.32307153      6.72174661
  H     -2.01161629      1.40530590      9.51071173
  H     -4.38597350      1.25958732      8.94423399
  O      0.70066116     -1.60509749      6.19345033
  H     -4.60075419      0.98127928      6.69802113
  H     -5.72745610      2.00448856      8.74371246
  O     -2.63306359     -0.94459173     11.71654158
  H     -3.22816179      0.61654940      6.09308700
  H     -5.81851421     -1.73686909      7.32714604
  O     -5.20795315      1.27230532      8.42224346
  H     -0.01505239     -0.78291793      3.43197682
  H     -5.83461478     -0.52163955      8.28480695
  O     -5.98250786     -1.47545826      8.24096826
  H      1.14325777     -1.48498706      2.67944610
  H     -1.65125460     -4.89125800      9.42935859
  O     -0.70202027     -4.73699068      9.36638887
  H     -4.68271189     -1.10301452      5.70736381
  H     -0.53896466     -3.89455985      9.81020476
          69
 Energy    -248.02167650791807     
  O      1.13990125      1.07468863      4.92380177
  H      1.73858578      1.25698707      5.64420585
  H     -6.23477518     -1.20776769      4.97852327
  O      1.52792000     -0.62012157     -2.93629092
  H      0.58441217      0.32671968      5.20695188
  H     -1.59907718      1.64564010      1.90550965
  O     -0.51384935     -0.95303566      5.66927057
  H      1.63523345     -1.47753440     -2.50842314
  H     -0.64745303      2.43724450      0.96871763
  O     -0.65824189      0.30337263     -1.49663072
  H      0.66703454     -0.29317778     -2.63502934
  H     -3.13734944      1.17934292      5.39008229
  O      1.75832007     -2.88253029     -1.12707811
  H     -0.63983000     -1.83737962      5.30938097
  H     -3.84190016     -0.20012280      5.16971567
  O      3.24884783     -1.00341423      0.19182547
  H     -1.39647588     -0.55517652      5.69626404
  H     -2.70230052      1.80519855     -0.01722745
  O     -4.14175104      2.68239252      2.60376957
  H     -0.10284065      0.80302426     -0.88255882
  H     -3.36357541      0.43512888     -0.25273392
  O     -3.61432389     -2.87851771      3.26729287
  H     -1.54856229      0.67293698     -1.42829938
  H     -2.22408007      0.14548141      3.59468555
  O     -0.71732630      3.12508023      4.16521297
  H      2.27866465     -3.67165561     -1.25331466
  H     -1.11336638     -0.53825230      2.72705851
  O      3.02178980      1.22788545     -1.60511998
  H      2.30701080     -2.26836180     -0.60714482
  H     -0.82745284     -1.30720333     -0.71786672
  O     -5.42184069      0.22822311      2.27018179
  H      3.33789837     -0.24521920     -0.39879163
  H     -0.04398193     -2.61877381     -0.60911748
  O     -5.36540285     -1.07595755      4.61150435
  H      2.93111956     -0.64069424      1.02842521
  H      1.28664488     -0.64054091      2.34864262
  O     -1.48632005      2.49536555      1.44455622
  H     -3.94848320      2.86603894      3.53115311
  H      1.74321176      0.53799655      3.23460138
  O     -2.98550571      0.23117806      5.28311753
  H     -3.31786208      2.85323878      2.13463181
  H     -3.33798989      3.74156024      5.88601454
  O     -3.09903755      1.24839071     -0.69777175
  H     -4.25629259     -2.37643619      3.78479268
  H     -2.26649615      3.12510382      4.95184964
  O     -1.82963013      0.10901302      2.71454888
  H     -3.62667278     -2.49173312      2.38497053
  H      1.69152291      1.78216962     -0.36467470
  O     -0.84409675     -2.17884351     -0.29311823
  H     -0.84972271      3.06665775      3.21192312
  H      1.26590474      1.23743053      1.01829992
  O      1.84936154      0.14997084      2.35863736
  H     -0.06233151      2.45480456      4.39649621
  H     -2.06199483     -3.26940669      3.95941479
  O     -3.17353850      3.01480369      5.29171622
  H      2.54026314      0.60755591     -2.18154204
  H     -1.12455054     -4.32033502      4.60060681
  O      0.96134985      1.76721028      0.26674404
  H      3.63050142      1.70551229     -2.16181316
  H     -0.27055781     -2.55692992      2.93200366
  O     -1.15752639     -3.42041841      4.28773613
  H     -4.93276481     -0.26442058      1.60460723
  H     -0.27052635     -2.09187305      1.42706383
  O      0.06420908     -1.89633161      2.31337273
  H     -5.03048976      1.11426428      2.31311514
  H     -2.84771601     -0.73804037      1.52792795
  O     -3.32722640     -1.24914636      0.85368201
  H     -5.47951228     -0.58028284      3.77865512
  H     -2.65265073     -1.72812142      0.35696610
          69
 Energy    -248.02157731947045     
  O     10.03015594      7.44725329    -10.58447359
  H     10.86447889      7.86128062    -10.84113349
  H     11.05438966      8.41341144    -13.87684135
  O     12.47858321      8.57950016    -11.24909867
  H      9.45753893      8.15189251    -10.26060048
  H     10.86777927      3.49015365    -11.25233542
  O     11.72189587      6.56031157    -14.22050261
  H     12.80824165      7.71445392    -11.52962529
  H     11.36030504      4.35147411    -10.09959707
  O     10.58428455     10.02826945     -7.85152107
  H     12.69900130      8.66766253    -10.31138884
  H     14.20898966      3.80930881     -8.23247631
  O      5.90951141      6.19563019    -10.70411649
  H     12.13698982      6.25303775    -15.02279416
  H     15.22081408      4.24224010     -7.14568768
  O      7.63331860      6.30760221     -6.82817636
  H     12.32115228      6.32478380    -13.49281800
  H      8.14154140     10.79453408    -13.04275301
  O     13.62267318      2.57528820     -9.33483279
  H      9.89447276      9.97579928     -8.53436875
  H      9.27420824      9.75824183    -12.87153994
  O     13.17565874      5.92393259    -11.94796038
  H     10.52682043     10.90311614     -7.47440296
  H     11.58680197      5.80707823     -7.71855547
  O      9.33756609      5.94733577    -12.82602690
  H      5.05312221      5.87185044    -10.97108732
  H     13.01453801      5.60751618     -7.15026341
  O      7.73056925      4.65876943     -9.14918592
  H      6.27773024      6.67070461    -11.46984653
  H      9.53461847      4.94875364     -8.94024828
  O     14.71496654      6.53444378     -9.74584449
  H      8.47556367      6.76163261     -6.64928849
  H     10.33890026      6.14008450     -9.47221469
  O     10.86182837      9.23489582    -13.41224509
  H      7.23357316      6.13777513     -5.97886068
  H      7.79385760      6.92412365    -12.96623491
  O     11.67968748      3.81717027    -10.84284619
  H     13.63263459      1.63320887     -9.48259830
  H      7.41425647      8.39695435    -12.71782574
  O     14.49733016      4.55741164     -7.68140515
  H     12.94638834      2.93262340     -9.93247162
  H     10.77429642      7.14065677     -6.41312705
  O      8.40537979     10.03465475    -12.52984976
  H     12.65444299      5.16532602    -11.65060167
  H     10.12757156      8.48983770     -6.77938361
  O     12.24319224      6.18367856     -7.10936601
  H     13.84812069      6.07063416    -11.26554829
  H     12.71662261      7.71316092     -8.01166850
  O     10.42018641      5.33235720     -8.94133288
  H     10.08442791      6.06907129    -13.42303837
  H     12.20885659      9.13954583     -8.27358557
  O      7.04639318      7.50797221    -12.77188508
  H      9.54563885      6.45368524    -12.02533019
  H      6.91332229      7.58391024     -8.03960025
  O      9.95463096      7.64747549     -6.34374425
  H      7.64281739      5.10507518     -8.29532101
  H      6.26947143      7.53347637     -9.43364226
  O     12.90635450      8.51734891     -8.51631046
  H      7.12939079      5.13195602     -9.74020675
  H      8.53960163      3.63424706    -10.78234951
  O      6.62181199      8.14143763     -8.77140504
  H     14.74408032      5.85910119     -9.05687174
  H      9.03944964      4.25471916    -12.09765632
  O      9.04085197      3.43618558    -11.58005507
  H     14.33020594      7.31309678     -9.32852274
  H      7.83627300      9.23766921     -9.39452315
  O      8.61960815      9.69929593     -9.73624503
  H     11.49072272      9.24441669    -12.67670930
  H      8.46802670      9.92985848    -10.66107416
          69
 Ord_Energy   -248.021484    
 O  -0.672396362      0.918047428      -3.82165003    
 H   0.152601197       1.43120468      -3.85223699    
 H  -0.627087355      0.362984031      -3.03582072    
 O    1.72659731       2.22471261      -3.86514688    
 H    2.28510404       2.83152676      -4.36475897    
 H    1.81973040       2.48372293      -2.93877935    
 O    3.60582042       3.96166396      -5.03500175    
 H    2.99091887       4.70972633      -4.98369122    
 H    3.67605305       3.68155956      -5.95609379    
 O   -2.22879362       3.03830576      -4.53449917    
 H   -1.76555777       2.22901011      -4.26751423    
 H   -2.86240911       2.78303123      -5.21561813    
 O  -0.560958743       2.06106067     -0.331256926    
 H  -0.844124794       1.99915552      0.578493118    
 H  -0.473803073       1.15148425     -0.657053173    
 O   -2.01889420      0.367456436      -7.83978510    
 H   -1.27815247       9.55880992E-03  -7.33366203    
 H   -1.62636137      0.853635550      -8.57532597    
 O   -3.74824286       2.16478109      -6.73729515    
 H   -3.17587709       1.46350324      -7.09663010    
 H   -4.64782143       1.86730850      -6.84400463    
 O    3.70506668       2.74373531      -7.54992867    
 H    3.96439910       3.02517986      -8.42358494    
 H    2.76230454       2.51114678      -7.59678459    
 O    5.44563580       2.49795604      -3.63369226    
 H    6.24347830       2.99738097      -3.47530770    
 H    4.82011652       3.10388756      -4.06659555    
 O    1.85435271       3.23478270      -1.25057018    
 H    1.07373607       2.84802508     -0.833718061    
 H    1.61612856       4.14028168      -1.48883021    
 O    2.63535619     -0.281009704      -4.83890867    
 H    3.49897552     -0.111441739      -5.23950672    
 H    2.36177540      0.561881185      -4.44759464    
 O    2.34032416     -0.736053586      -2.07204056    
 H    2.49997258     -0.824196815      -3.01963830    
 H    2.97053266      -7.03316331E-02  -1.75886762    
 O   0.739853919       5.69659090      -2.07393813    
 H  -0.112897754       5.22581482      -2.10199499    
 H   0.589986265       6.50906610      -1.59728944    
 O   -2.21668506       4.05721045      -8.26338959    
 H   -1.58392644       4.35228205      -7.59432602    
 H   -2.87531495       3.53818250      -7.78505182    
 O  -0.224471644     -0.473814517      -1.40440488    
 H   0.723572493     -0.594182968      -1.60538292    
 H  -0.567800343      -1.33188093      -1.17196178    
 O    1.62173843       5.77562332      -4.79338026    
 H   0.903811932       5.36975050      -5.29916239    
 H    1.32143152       5.81241512      -3.87726164    
 O  -0.306545466       4.27336264      -6.18123960    
 H  -0.932723165       3.88398433      -5.55501223    
 H   0.195359409       3.54662442      -6.57294941    
 O    3.99618530       1.38550782      -1.40145087    
 H    3.37833667       2.09993768      -1.19951522    
 H    4.53760147       1.70559454      -2.13328338    
 O   0.229708135     -0.172130018      -6.19942856    
 H    1.10447991     -0.430264413      -5.87617683    
 H  -0.243722036      0.125505686      -5.40911484    
 O    4.97910976      0.734066784      -5.87313843    
 H    5.26786709       1.24879205      -5.10860348    
 H    4.64530420       1.37395966      -6.51330662    
 O   -1.50935519       4.19064474      -2.07547760    
 H   -1.87241042       3.86267209      -2.90895391    
 H   -1.33159804       3.41940284      -1.52505958    
 O    1.03379321       2.14629793      -7.54562664    
 H   0.495174557       2.17282438      -8.34756851    
 H   0.793798745       1.33856630      -7.07105780    
 O  -0.795618773       2.22470856      -9.66199780    
 H  -0.842097521       2.33697939      -10.6070585    
 H   -1.33001614       2.93601298      -9.26377583    
          69
 Energy    -248.02138962282737     
  O     16.50607239     10.67498390    -13.05596559
  H     16.52269409     10.54746931    -12.09376792
  H     14.57554520      4.75942901    -13.50078340
  O     16.23653797      5.10215854    -16.17408090
  H     17.20418133     10.12542196    -13.43680638
  H     12.93076754      9.19452546    -10.42998777
  O     12.32080633      7.82947726    -13.19823373
  H     16.75606164      4.51359288    -16.71811575
  H     12.54067854      8.08172858    -11.43225865
  O     12.43148755      5.70091668     -9.38742136
  H     16.57561930      5.99607337    -16.33381336
  H     15.29602154      9.35511069    -13.51071170
  O     13.35777302      5.32463950    -16.31003834
  H     11.77264398      8.28210918    -13.85271607
  H     15.49148558      7.83472612    -13.43423383
  O     17.07931585      7.72635688    -16.71301162
  H     13.23386265      8.10974702    -13.36871456
  H     17.89950860      8.38421060    -14.98835600
  O     13.34420222     11.00333745    -10.51165930
  H     13.30399683      5.50986465     -9.02186584
  H     17.85408970      8.00599711    -13.50529541
  O     15.16534338      5.03400576     -8.79636552
  H     12.45991013      6.62000152     -9.68607841
  H     11.70132393      9.97945228    -15.42855910
  O     14.64525901      8.98514096    -16.45198523
  H     13.07340174      5.16657209    -15.39889374
  H     11.47454096      8.60128273    -16.06653596
  O     12.04560117      3.78317774    -11.25837855
  H     14.31234532      5.19479569    -16.32473844
  H     13.75676547     10.57611666    -16.07207006
  O     14.87816195      3.40363423    -10.95355120
  H     16.25260852      8.23685317    -16.70454691
  H     13.17995130     11.97209219    -16.38712763
  O     15.51568608      4.52282738    -13.47756016
  H     17.61546604      8.08729270    -17.41580132
  H     12.56869987      6.07076426    -13.42662172
  O     12.84384110      8.23776378    -10.52605915
  H     12.95105091     11.73864702    -10.04883452
  H     12.44620460      4.63153042    -12.84631019
  O     14.89737054      8.51516893    -13.77603796
  H     13.48952427     11.29796866    -11.42845026
  H     12.01117487      7.40054975    -18.24300866
  O     18.17227834      8.68656418    -14.11673194
  H     15.14183496      4.41318064     -9.54657403
  H     12.70003443      6.73201165    -17.02941349
  O     11.19776593      9.16247685    -15.33101796
  H     15.59362011      4.58093245     -8.07543625
  H     14.91665689     11.58809612    -13.10556393
  O     13.15165262     11.26163365    -15.74984099
  H     14.68718433      8.76315741    -15.50636583
  H     13.60916785     11.65238146    -13.92351570
  O     12.80611679      5.14457657    -13.58006523
  H     13.90009623      8.50338813    -16.83675340
  H     16.40538527      5.95966200    -12.79930495
  O     12.41803087      7.58763380    -17.40155200
  H     12.10219627      4.48068906    -10.58003727
  H     16.39310723      7.04138671    -11.67868062
  O     13.96978760     11.78228038    -13.04047764
  H     11.30791805      3.22775065    -11.02203500
  H     15.22627966     10.54679709    -10.27118497
  O     16.73759792      6.83401716    -12.55933785
  H     15.24358341      3.66134242    -11.80930814
  H     16.06884371      9.26446601    -10.18137368
  O     16.12483308     10.20977668    -10.37214290
  H     13.92070671      3.37017562    -11.07490976
  H     15.49796156      6.66708193     -9.60350707
  O     15.51745276      7.45438723    -10.16089914
  H     15.83890442      4.60404151    -14.38205400
  H     14.59609018      7.70659736    -10.31771915
          69
 Energy    -248.02135045712885     
  O     -3.53726249      1.35375479      2.10499330
  H     -3.88776379      2.23869274      2.15373262
  H     -1.79661207     -3.90049514     -1.04372122
  O     -2.37010397     -0.97143751      6.41932253
  H     -3.06943680      1.19171029      2.94525434
  H     -1.12676698     -5.62002467      0.51350239
  O      0.25475640     -0.25496104      3.52050272
  H     -2.98490387     -1.70556306      6.32244362
  H     -2.35115139     -4.81003030      0.96474585
  O     -2.16015443      0.87419849      4.33375517
  H     -1.48611366     -1.35016602      6.32297535
  H      2.91760025     -1.44625301      2.37067958
  O      2.34751933     -3.70640762      4.82812816
  H      1.04236381      0.06296417      3.06621184
  H      2.43641940     -2.79744415      1.83186806
  O     -3.97247178     -3.38753789      5.96052670
  H     -0.17463856     -0.87792850      2.91292868
  H     -1.67888853     -2.53131373      1.92798674
  O      0.11353460     -2.12181983      5.55201865
  H     -2.35607303      0.32631380      5.10504314
  H     -1.29183992     -1.25244979      1.11652188
  O      0.45894318     -5.73937614      4.05941268
  H     -1.26442763      0.63002986      4.06446474
  H     -3.73670772     -3.52307119      2.68727751
  O     -5.29751032     -2.86840874      3.56156028
  H      2.60138377     -3.22206747      4.02218330
  H     -2.39266938     -4.01635241      3.27920466
  O     -1.87228721      0.21306475      0.13487720
  H      3.15487839     -3.89089140      5.30107761
  H      1.20089685     -3.05660739     -0.28173729
  O      0.65161796     -5.97540138      1.22670554
  H     -3.14168297     -3.78135521      5.63993531
  H      0.41946131     -2.88166005      1.03783616
  O     -1.71054162     -3.12556036     -1.61893301
  H     -4.18623490     -3.82804499      6.77953791
  H      1.09728050     -2.41399537     -2.80133792
  O     -1.93929633     -5.21570813      0.18979441
  H      0.90777440     -2.66291706      5.46214496
  H     -0.11573751     -2.55434732     -1.84943277
  O      2.96239161     -2.39483282      2.53661690
  H      0.20563802     -1.41197897      4.89925045
  H      1.92226896      0.28466154      1.03814681
  O     -0.95328850     -1.93137498      1.71411451
  H      0.52695758     -5.89453382      3.10919559
  H      3.01893947      1.09521545      1.76527341
  O     -2.85023163     -3.81426682      2.45030509
  H      1.17085763     -5.12906179      4.29097531
  H     -0.04466646      0.32335048     -0.23927462
  O      1.16309175     -3.35586062      0.63457368
  H     -6.11756483     -3.35801877      3.57520744
  H      0.94367930     -0.61321398     -0.95311332
  O      0.81271984     -2.25793000     -1.90558350
  H     -4.90078387     -2.97450115      4.44025335
  H     -4.31406932     -1.31504612     -0.18163429
  O      2.44394092      0.34075167      1.85910625
  H     -2.51478488     -0.24406033     -0.42317944
  H     -4.56743818     -1.18185455     -1.69971069
  O      0.89783939      0.15362853     -0.36944379
  H     -2.38037617      0.70554895      0.79304323
  H     -1.07055338     -3.42387053      5.11418030
  O     -3.88578475     -1.35437092     -1.05529724
  H      1.25055512     -6.55031276      0.75635300
  H     -0.97499652     -4.89480003      4.65250498
  O     -1.60505309     -4.20183912      4.89955109
  H      0.89241299     -5.06371359      0.98770121
  H     -4.53453245     -0.18338735      1.73732350
  O     -4.94182658     -1.00020732      1.41886701
  H     -2.49311325     -2.58526544     -1.46793589
  H     -5.10348838     -1.54825957      2.19375727
          69
 Energy    -248.02124138798297     
  O     15.94068610     10.94435966    -16.44224425
  H     16.74544721     10.57571634    -16.82533374
  H     15.11323597      4.79817198    -17.22422671
  O     13.94910494      5.91118061    -16.56302648
  H     16.22479987     11.36906621    -15.62361075
  H     19.19215735      5.72614436    -15.53417513
  O     17.81627247      7.45631751    -11.88470226
  H     13.82486262      6.85588671    -16.69076055
  H     19.98419729      6.59122594    -16.53204892
  O     19.69782310      7.18552826    -18.31881021
  H     13.90277941      5.76374470    -15.60607542
  H     17.68148152      8.64423765    -16.56084230
  O     17.35999837      6.04553199    -19.00778046
  H     18.67510537      7.57075274    -12.30801283
  H     18.77401963      8.65383596    -17.65643335
  O     13.25623651      8.18830119    -10.76268137
  H     17.24943473      8.15764541    -12.24461150
  H     16.66555501      8.23658918    -14.59308988
  O     14.05214012      5.73750861    -13.80012823
  H     20.31760127      7.11903398    -19.03987094
  H     15.79875892      7.87869857    -15.81350712
  O     16.23543011      9.27366786    -13.12015070
  H     18.89349103      6.70680085    -18.59401283
  H     14.70285243      9.63590890    -16.38014379
  O     17.46042608      5.07313081    -15.38621805
  H     16.88990315      5.32772458    -18.56968146
  H     13.79849101      8.80623012    -15.43786542
  O     12.76817355      5.39280161    -11.39850846
  H     16.73376473      6.78266864    -19.05148815
  H     15.60312064      3.58429548    -10.07877319
  O     19.24753240     10.29360086    -14.77767126
  H     14.14330402      7.91202727    -10.47121035
  H     15.79264390      4.51862915    -11.29575129
  O     15.82661501      4.19145845    -17.49372941
  H     12.87314857      8.68053614    -10.04124575
  H     21.03695366      7.87749979    -13.11738277
  O     19.95882868      6.31030443    -15.60998581
  H     13.46636709      5.52069446    -13.06007459
  H     20.10355535      7.32992052    -14.22028032
  O     18.14283713      9.21953703    -17.19344976
  H     14.94963506      5.53845543    -13.50632949
  H     17.06397509      5.89893227    -12.45184081
  O     16.65870239      7.71504444    -15.40611507
  H     15.28880226      9.11872932    -13.23846941
  H     16.98531984      4.90611073    -13.64460960
  O     14.19211653      8.81182965    -16.32014887
  H     16.43374041     10.19339932    -13.33306447
  H     15.56792469      6.23080417     -9.97973637
  O     15.29858231      4.40075063    -10.46621833
  H     16.97981350      4.62193547    -16.08996987
  H     16.50908643      7.34299032    -10.47078604
  O     20.14312222      7.92309003    -13.44839371
  H     17.17844596      6.00234414    -15.41774210
  H     13.33328810      8.52991888    -12.62009089
  O     16.62027037      5.09954971    -12.77073548
  H     12.78040777      6.31260887    -11.10631630
  H     13.77220481      7.52060342    -13.68860037
  O     15.68407319      7.18946481     -9.99477970
  H     13.52044122      4.96778868    -10.96601279
  H     17.95598352     11.31728478    -14.22711202
  O     13.61471325      8.46621107    -13.54196344
  H     19.04545669      9.98128948    -15.66794874
  H     17.36609980     12.61593234    -13.61800930
  O     17.12659743     11.76823489    -13.98140792
  H     19.57764064      9.52953756    -14.28929838
  H     15.08750392      8.53719440    -18.19231447
  O     15.81779428      8.35470949    -18.79085631
  H     15.40697448      3.38803258    -17.78878125
  H     16.57570783      8.82115663    -18.41903333
          69
 Energy    -248.02121198229690     
  O     11.53865695     10.45767465    -11.76904224
  H     10.75150996     10.63811900    -11.26212913
  H     14.94274112     10.78918075    -14.56486863
  O     16.16835117      7.03538884    -14.28899593
  H     12.03674239      9.77952637    -11.27676724
  H     13.87812667      9.17066728    -13.64557249
  O     18.07572780     12.12340542    -11.81184310
  H     15.66477151      6.60188420    -14.98726618
  H     15.04839962      9.75446941    -12.76989241
  O     12.51432364      6.41398750    -14.15890230
  H     15.67146137      7.83771178    -14.04902305
  H     12.89613342      7.58619784    -10.86938608
  O     18.29582487      8.40417226     -8.80369334
  H     17.98159311     11.98464167    -12.77117450
  H     13.82369263      8.57397114    -10.15009841
  O     15.89200646      6.26414666    -11.64980208
  H     18.20922102     13.05824067    -11.67908250
  H     19.52027454      7.42242502    -12.10488121
  O     15.61428431     10.80363310    -11.36454312
  H     13.10483269      6.24946725    -14.90356659
  H     20.88083588      7.64648794    -12.80363187
  O     18.60262332      6.49307283    -10.93543699
  H     12.24631282      7.34102266    -14.22405828
  H     12.87982194      6.00166872    -12.53186663
  O     14.47491922      8.65157336    -17.26166126
  H     18.74307947      9.02582733     -9.40703940
  H     12.58436230      5.09281352    -11.31462595
  O     14.39477766      6.15192252    -16.27878534
  H     18.72808093      8.47986801     -7.95779808
  H     17.79705990     10.62686831    -14.51470312
  O     17.03315783      9.75478897    -17.07145361
  H     14.96890930      5.99336668    -11.57350689
  H     16.70142809     11.72749124    -14.63501064
  O     14.82427243     11.71444155    -14.83207366
  H     16.03890193      6.46303091    -12.58621471
  H     18.93407513      8.60213163    -14.08433680
  O     14.83723933      9.25500501    -13.57027897
  H     16.47469545     11.23260448    -11.44092925
  H     17.55821751      8.13043266    -14.59052227
  O     12.94065564      8.48839409    -10.52915980
  H     15.70846077     10.04792074    -10.76887642
  H     19.74446055      9.41611171    -11.38634350
  O     20.02040913      8.03694672    -12.67180389
  H     18.54197708      7.00225256    -10.11803300
  H     19.06462070     10.75906681    -11.03203386
  O     13.10337449      5.84106284    -11.59686833
  H     17.69482900      6.25258911    -11.16352448
  H     12.34348274     11.46732389    -16.95523758
  O     17.62963610     11.57488888    -14.41613949
  H     15.35889953      9.04688163    -17.25618992
  H     13.48914340     11.26721243    -15.93500075
  O     18.23456168      8.81263735    -14.71368811
  H     13.85154160      9.35849153    -17.06874362
  H     15.79729367      7.73035217    -10.53803762
  O     19.48731577      9.98143203    -10.64736137
  H     14.39206647      7.04211626    -16.67750124
  H     16.53446273      8.46021990     -9.39110408
  O     12.75899972     10.81796916    -16.39371984
  H     14.43705556      5.52868262    -16.99846014
  H     12.79779716     11.86218466    -12.24447201
  O     15.72345302      8.46715872     -9.91408813
  H     17.22805060     10.68813162    -16.99047978
  H     14.29401248     11.95005874    -11.95116313
  O     13.58629936     12.37367026    -12.45912676
  H     17.55234758      9.33376308    -16.37104922
  H     11.75730448      9.67664497    -13.42505979
  O     12.08528897      9.16878720    -14.17923284
  H     14.37770696     12.13257085    -14.07890656
  H     12.15666144      9.75775695    -14.94036521
          69
 Energy    -248.02110258817402     
  O     15.69468106      5.03641375    -12.35996967
  H     16.47043402      4.90509046    -11.80080695
  H     18.25127489      7.51138493    -15.25817152
  O     15.06068870     11.87548425    -12.90896197
  H     15.93561177      4.82686195    -13.27613496
  H     14.69322616      7.98079410    -16.26695775
  O     17.84265599     11.03286589    -13.14531675
  H     15.98596174     11.70642087    -13.11973733
  H     15.87100915      8.98805395    -16.17999864
  O     10.69038152      7.54072661    -15.78530873
  H     14.54945969     11.63296276    -13.69174174
  H     15.70706283      6.81798941    -12.86609417
  O     17.11067962      7.24016251     -9.31731995
  H     17.77817833     10.39504679    -12.41387444
  H     14.84131852      8.11238283    -13.03892592
  O     12.30455002      6.56578955    -13.68472318
  H     18.54308914     11.64016526    -12.91913733
  H     13.84637169      6.84815934    -10.19794308
  O     13.50269938     10.68970896    -15.00197319
  H     11.05104075      7.06091814    -16.54101872
  H     14.18111846      8.33484016     -9.91449562
  O     12.83159056      9.04830257    -18.33548028
  H     11.09355930      7.14039790    -15.00401310
  H     18.50283377      5.53825052    -11.35898130
  O     16.33827312      4.89749649    -14.98703784
  H     17.39310653      6.37881964     -9.64323314
  H     18.62823788      4.25104265    -10.50785088
  O     17.28667143      8.98135771    -14.98995749
  H     16.14103411      7.22777863     -9.31323692
  H     14.09034912      5.13982084    -11.66689805
  O     14.05008675      6.30671398    -15.87885834
  H     12.45419814      6.00367746    -12.91632757
  H     12.93354096      4.57116167    -10.81090778
  O     18.65894179      6.63058030    -15.21162441
  H     12.51565092      7.46340845    -13.38168439
  H     16.79249654      8.56021927    -11.93505959
  O     14.97657286      8.87146794    -16.52170442
  H     14.06273134     10.11651612    -15.54474554
  H     17.43598877      8.47347312    -10.52580639
  O     15.73301890      7.75039939    -13.11318936
  H     12.63144375     10.68065669    -15.41894750
  H     18.74117776      7.64020047    -12.12326595
  O     14.35378266      7.43323512     -9.62468882
  H     13.67622595      9.09069374    -17.86578422
  H     19.02672045      6.72781856    -13.34417947
  O     18.00856473      4.91607823    -10.79537805
  H     12.21061802      9.55472465    -17.79730953
  H     12.39686372      7.34738634    -18.22756318
  O     13.20209655      5.33319267    -11.31859951
  H     15.59371424      5.35443725    -15.40292503
  H     11.95460225      5.97187586    -18.78557989
  O     17.41880729      9.00191688    -11.33924429
  H     17.12507898      5.42992405    -15.14985083
  H     14.74124282     10.87244467    -11.43380112
  O     19.13680463      6.80340241    -12.38823696
  H     17.57194309      9.77583886    -14.52399946
  H     15.59817224      9.82451851    -10.71858404
  O     12.17767428      6.43082815    -17.98068404
  H     16.69358784      8.50909288    -14.37997524
  H     10.24912112     10.62880655    -16.41657398
  O     14.69007084     10.12961813    -10.80974621
  H     13.46402491      6.19290580    -16.63820246
  H     10.88684405      9.25892212    -16.08611264
  O     11.08597906     10.17900610    -16.33635543
  H     13.48227242      6.34322979    -15.09623263
  H     13.25844535      9.61440524    -13.57604998
  O     13.23145627      8.96958424    -12.85531948
  H     19.31128774      6.59041317    -15.90705678
  H     13.59979641      9.39715805    -12.07115779
          69
 Energy    -248.02089194586654     
  O     11.09901910     10.86029722    -11.72078888
  H     10.54612631     10.40739467    -12.36996273
  H     17.61047141      6.24192132    -15.13253360
  O     13.65024461      7.27305447    -15.03331153
  H     11.86703838     11.18750331    -12.20605428
  H     14.22319970     12.12891301    -16.09946260
  O     18.02070326     10.06999957    -11.71748338
  H     14.37790889      7.79012687    -14.64965514
  H     14.84475679     13.50524004    -15.75211785
  O     12.04522759      9.53603040    -15.06250455
  H     14.00441579      6.88951187    -15.84378208
  H     15.58883737      9.12955170    -13.17747289
  O     16.06475559      6.43478675     -9.94885001
  H     17.06849282     10.20048459    -11.61191590
  H     16.10237311      9.26111657    -14.64101314
  O     13.10883197      6.24165952    -12.52907852
  H     18.20419409      9.17604097    -11.40728524
  H     10.92847411      9.33366301     -8.93737534
  O     15.21186747     10.10829858    -11.71521426
  H     12.52165410      8.69607433    -15.11333316
  H     11.26693301      9.74995300    -10.39009907
  O     15.29719081      9.30542494    -17.84563671
  H     11.19248977      9.36468980    -14.64477948
  H     11.35876665      6.73055902    -12.04670827
  O     15.47185641      4.72388888    -12.19247687
  H     15.83316523      5.71662421    -10.54972128
  H     10.74485128      7.69235325    -11.00428880
  O     16.72339826     10.52729893    -15.72767882
  H     15.30982309      7.03875415     -9.96685527
  H     18.64667316     10.59197871    -13.28070281
  O     15.15390430      6.45178370    -17.25164971
  H     13.81438311      5.59927062    -12.38687913
  H     19.68565620     11.43921751    -14.03371933
  O     17.64204885      6.26022667    -16.10096110
  H     13.20751817      6.55294528    -13.44053326
  H     17.83247558      6.72780788    -12.59352606
  O     14.79277816     12.59916515    -15.46096626
  H     14.73452303      9.44106863    -11.20311317
  H     16.75642993      7.25220439    -13.57926196
  O     15.75607054      8.63534924    -13.99031668
  H     14.55595283     10.62239908    -12.20673376
  H     17.60636627      7.05344679    -10.48585085
  O     11.34533801      9.02940637     -9.73853261
  H     15.91837828      9.66730767    -17.19838641
  H     19.14713147      7.09115553    -10.35280646
  O     10.54572482      7.19457563    -11.80704347
  H     15.25086066      8.35806440    -17.68170285
  H     13.91219065     10.44375521    -17.47829605
  O     18.94151855     10.85884244    -14.16845864
  H     16.11334083      5.27827761    -12.66734271
  H     12.72204319     10.55209945    -16.49482026
  O     17.28782644      6.47268660    -13.34842133
  H     15.69853647      3.81668060    -12.38138583
  H     13.57013019      7.45828839    -11.22533300
  O     18.42720521      7.33519143    -10.92843805
  H     17.55527954     10.69210847    -15.25872316
  H     13.02099232      8.37493997    -10.10030815
  O     13.28691098     11.06964682    -17.08288754
  H     16.15773034     11.30088726    -15.60648109
  H     13.85375693     11.90992837    -13.96699544
  O     13.83415097      8.03772752    -10.49640262
  H     15.09470754      5.85536019    -17.99384377
  H     12.92524113     10.67975349    -13.94292246
  O     13.35562557     11.33533804    -13.37360543
  H     16.04105599      6.33761070    -16.87108949
  H      9.96764978      8.36626245    -12.96453462
  O      9.73082571      9.10920451    -13.54810356
  H     18.35919122      6.85081489    -16.32510678
  H      8.80668561      9.01172862    -13.76039593
          69
 Energy    -248.02076328671279     
  O     17.68929830      9.77829320    -10.83559684
  H     18.41439174      9.13917723    -10.90298921
  H     14.69584227      8.75142128     -6.03811188
  O     14.04681534      5.67966492     -7.81047634
  H     17.92312605     10.43743752    -10.16897375
  H     18.47551922      4.68838286    -12.09407993
  O     18.22482911     11.49638542     -8.69027950
  H     13.33203509      6.01173425     -8.36455468
  H     18.75359291      3.66859376    -13.22057485
  O     12.40400864      6.83133316     -9.90745332
  H     14.75457501      5.47957710     -8.43768077
  H     15.34926396      5.93257663    -10.67674218
  O     15.57173998      9.19609796    -12.51495234
  H     18.59297083     12.37517347     -8.73860662
  H     16.07948149      6.63972287     -9.52810942
  O     19.58634341      7.77561173    -10.98330178
  H     17.52455636     11.52495332     -8.01347964
  H     18.96370333      6.24824345    -13.59715006
  O     21.33758305      7.97719907     -8.80411038
  H     11.51912394      6.66199728    -10.22103717
  H     19.41006153      7.51344065    -12.84498768
  O     18.52344281      5.21679062    -10.41613521
  H     12.99025104      6.75474350    -10.67928241
  H     16.94460267      8.38192605    -15.68165462
  O     16.39050463     11.56440031     -6.70761734
  H     15.93291377      8.89586093    -13.35841260
  H     17.67243834      7.84121671    -14.42754488
  O     13.65576543     10.73337563    -11.24113056
  H     16.32694407      9.44825690    -11.96330480
  H     15.34347189      8.66145007     -8.91808991
  O     13.59036598      9.20806875     -8.95230660
  H     20.28570369      7.88847298    -10.32726194
  H     16.72072370      8.84359523     -9.63461421
  O     14.49303157      9.64265567     -6.34509814
  H     19.17674481      6.91893130    -10.79714191
  H     18.97943302      8.83773455     -6.94702675
  O     18.37627473      4.52745978    -13.04843816
  H     20.79705008      8.55080735     -8.23017333
  H     19.19732553     10.16414123     -7.71456358
  O     15.91142699      5.76370975     -9.91095431
  H     22.24850655      8.12966643     -8.56975602
  H     14.71616982      6.46049788     -6.37380963
  O     19.11290314      7.19649617    -13.70733640
  H     17.57411220      5.31185127    -10.24548670
  H     14.82355666      6.47909667     -4.83459153
  O     16.80156389      8.09537758    -14.78375609
  H     18.96325472      5.25970776     -9.55460066
  H     14.65205005      6.19674505    -12.65775443
  O     16.24207861      8.31364737     -8.98622328
  H     16.37856083     12.07471635     -5.90188502
  H     14.64353202      7.61697078    -12.05699547
  O     19.66004680      9.43651795     -7.28450311
  H     15.72608295     10.86657417     -6.58152084
  H     20.30958899      6.43769529     -8.17814440
  O     15.12229700      6.92648916     -5.62209521
  H     14.29298541     10.25121331    -11.79165627
  H     18.94073886      6.29400661     -7.48725418
  O     14.25791265      6.73641483    -11.95607529
  H     13.60509028     11.61407217    -11.60358144
  H     17.20742282      7.84894875     -7.56946447
  O     19.61005728      5.80318869     -7.98301038
  H     13.08912706      8.42736501     -9.21705362
  H     16.94850716      7.25832956     -6.18583925
  O     17.66144407      7.51677187     -6.77919998
  H     13.55424978      9.82971286     -9.69365700
  H     16.61245119      5.10414217    -13.60429897
  O     15.79907414      5.54599437    -13.87627190
  H     14.02657550      9.54060347     -7.18623369
  H     16.08045762      6.36063159    -14.31173570
          69
 Energy    -248.02074706128150     
  O     13.62896202      5.86974315    -17.14209260
  H     13.10223688      5.32294861    -16.54755377
  H     15.27075491      5.66596006    -16.46832555
  O     13.99362779      5.34124486    -11.87783468
  H     13.18455666      6.72188588    -17.21926171
  H     15.43869029      6.13471808    -11.09132426
  O     18.33164258      4.99539245    -11.39192456
  H     13.16602596      5.35321683    -11.38540075
  H     15.77869570      7.42764069    -10.30839248
  O     12.60433067      3.90888113    -15.22449705
  H     13.88590409      6.01352626    -12.57250459
  H     14.33691464      7.69860665    -14.15444274
  O     10.78786676      9.95652450    -13.26951578
  H     18.89108903      5.60179996    -11.89149153
  H     12.79089092      7.43499733    -14.18518375
  O     12.41665654      8.48313117    -17.25877407
  H     17.62179777      5.53532147    -11.01819876
  H     13.81094729     10.36479140    -14.83398494
  O     14.89044949      8.96282739     -9.94409782
  H     13.45827076      3.77387671    -14.78363593
  H     14.80521100      9.46830891    -15.58804731
  O     19.63328297      6.78080870    -13.25711843
  H     12.38833096      3.08114914    -15.64962775
  H     11.10551484      5.71298037    -11.86254481
  O     11.10526612      7.74873699    -14.92613931
  H     11.47479441     10.61260067    -13.42521312
  H     10.72920722      5.55104310    -10.36932406
  O     17.62028060      3.01520780    -13.10257618
  H     11.08556476      9.47863177    -12.48434668
  H     12.01186715      7.74403433    -11.07838434
  O     18.60485731      4.96684923    -14.98559858
  H     12.98750592      9.08879005    -16.75147653
  H     12.94219778      8.18387630    -12.21348058
  O     16.02150500      5.54919263    -15.86688483
  H     12.20803891      8.92217581    -18.07879697
  H     14.69539828      4.23229923    -13.09288561
  O     16.17364639      6.66907213    -10.76226010
  H     15.30350536      9.66884201    -10.45538804
  H     15.88683826      3.39248227    -13.62776853
  O     13.59069657      7.35470743    -13.65014161
  H     14.00317656      8.85520476    -10.30869309
  H     11.37398514      4.78956335    -14.05910721
  O     14.01734191     10.01799814    -15.71026731
  H     19.30578249      6.16791492    -13.94040749
  H     10.73384915      6.18461485    -14.05346714
  O     11.37470192      5.94007224    -10.95277013
  H     20.56096409      6.91533867    -13.42995806
  H     16.04745978      7.27484142    -15.33803241
  O     12.47187010      8.51632996    -11.43106670
  H     10.87962416      8.55791536    -14.44536660
  H     16.49395893      8.24641619    -14.20208241
  O     15.03729275      3.77736356    -13.87708670
  H     11.39966561      8.00523870    -15.80888095
  H     14.50334717     10.90260880    -12.66954801
  O     10.80521443      5.36854207    -13.53787538
  H     17.86074135      3.67472089    -12.42662910
  H     13.19311913     10.17087651    -12.38357816
  O     15.91866260      8.16117914    -14.97252220
  H     18.02035257      2.19136537    -12.83745922
  H     16.70125456      9.92453708    -12.16682499
  O     13.59558852     10.80549675    -12.98648468
  H     18.36525036      4.19733590    -14.45523437
  H     16.83855459     11.38378367    -11.67989743
  O     16.19993435     10.69795272    -11.86032868
  H     17.80243752      5.20729804    -15.46871165
  H     18.25136036      7.91830444    -12.85093713
  O     17.40930322      8.33230119    -12.62274299
  H     15.70800431      4.96650017    -15.16258493
  H     16.96550413      7.73579748    -12.00173943
          69
 Energy    -248.02070105985317     
  O     12.57847547     12.15206733    -14.29997453
  H     13.50648227     12.40259751    -14.44649058
  H     18.41911016     11.55086329    -16.75287539
  O     19.00140687      9.33103110    -12.00749674
  H     12.09318130     12.96325892    -14.16708830
  H     12.92856452     10.18476540    -17.06030289
  O     15.55111212     10.43142130    -11.66951819
  H     18.93633344      9.32082416    -12.97333811
  H     12.54866386     11.34833967    -16.10714071
  O     13.79150262      8.20377355    -14.34849864
  H     18.70127953     10.20183383    -11.72505989
  H     16.81321188      9.70763674    -14.53362286
  O     14.52575263      6.05534080    -12.79689808
  H     15.72257531     10.27372500    -12.61123237
  H     15.29675483      9.28839871    -14.48909441
  O     18.12154812      6.92662318    -11.19348087
  H     16.27344355     10.99521502    -11.37165119
  H     14.03208434     12.19302941    -17.57421426
  O     15.22028160     12.61090391    -14.94714494
  H     14.02654804      7.39006248    -13.88278493
  H     14.47830095     13.45161207    -18.35662473
  O     17.87888578      6.96386097    -16.12040275
  H     13.37275083      8.79095734    -13.70516111
  H     12.50320596      8.67370461    -11.15423865
  O     15.46786940      7.77111283    -10.78801865
  H     13.68351445      5.68347555    -12.49987612
  H     13.55713062      7.83370100    -10.41842784
  O     17.13317951     11.22162615    -17.80179414
  H     14.84193717      6.62615596    -12.08018799
  H     18.87812657     10.05484204    -15.28313239
  O     17.14216531      5.98305587    -13.72518671
  H     18.77519874      6.50804717    -10.64026125
  H     18.48620082      8.52968146    -15.32569127
  O     19.13379899     11.67747197    -16.10007308
  H     18.47939573      7.79830220    -11.44367034
  H     16.91924101     13.01181074    -14.20468529
  O     12.76291346     11.13537093    -17.02258980
  H     15.49055011     11.68493161    -14.82897763
  H     18.33832675     12.57128323    -14.60657733
  O     15.91528961     10.01834795    -14.36473241
  H     15.16579151     12.77426389    -15.89746358
  H     18.28683008     12.56537429    -10.77264836
  O     14.77721040     12.80184701    -17.72668272
  H     18.38788571      6.29603556    -16.57245872
  H     17.92073346     12.31634039    -12.25389240
  O     12.60619206      7.91246755    -10.56944008
  H     17.59668568      6.57332601    -15.27314730
  H     13.75086882     10.29271788    -12.05033430
  O     18.58430067      9.30146348    -14.75411889
  H     16.37150565      7.43065410    -10.78432047
  H     12.65281380     10.78758870    -13.02219965
  O     17.82535220     12.94149747    -13.87802599
  H     15.53483633      8.70457025    -11.03324357
  H     16.66026806      8.00317374    -17.16143888
  O     17.92384257     11.91414275    -11.36661695
  H     16.80909417     10.30808541    -17.80603888
  H     15.22926976      8.49739909    -17.49985430
  O     12.89492101     10.05786762    -12.43894615
  H     16.35696942     11.78526300    -17.88660161
  H     12.13415738      6.32946492    -11.27200874
  O     16.16411079      8.64899010    -17.67820710
  H     17.56870357      6.25126254    -12.90297375
  H     11.55382253      4.91051675    -11.14831997
  O     12.06491485      5.47139634    -11.72538392
  H     16.21049474      5.85312895    -13.50224561
  H     13.46591614      8.24322704    -16.05460116
  O     13.37344370      8.36427659    -17.01558310
  H     19.89203775     11.99962128    -16.57900688
  H     12.81139495      7.66006802    -17.32934309
          69
 Energy    -248.02068374353425     
  O     -1.26290516      3.20279712      2.79447262
  H     -1.85931362      2.83408302      2.12921545
  H      0.49328151      1.12664454     -0.01779744
  O     -2.27974723      5.20067708     -0.18773334
  H     -0.63908068      2.51067940      3.04724448
  H      0.26040229      4.82941771     -2.36041546
  O      4.02672410      7.00595144      1.10247423
  H     -2.59514422      5.88606493      0.41580969
  H     -0.29463633      3.69897988     -3.26648977
  O      1.38386558      7.08592169      2.02448096
  H     -1.34366801      5.07493550      0.02145377
  H     -0.01505205      7.18105631     -1.30769819
  O      2.24192019      3.58748350     -0.56848879
  H      3.72162076      6.82734409      0.19398218
  H      0.10688799      7.28455000     -2.84360232
  O      0.25599844      4.72849695      0.93904595
  H      4.78401527      7.58041066      1.03318477
  H     -3.33327814      1.20747371     -2.77328738
  O     -2.77541596      7.20133561      1.67448201
  H      2.32257060      7.11668174      1.79986271
  H     -2.95344148     -0.02350579     -3.63251063
  O     -0.82001290      1.62551524     -1.24480093
  H      1.31043851      6.88115399      2.96537156
  H      1.74188993      2.95203024      3.75283018
  O     -1.63306758      5.81017334      3.68902097
  H      1.57720144      3.97255178      0.02979852
  H      2.80049652      3.92104606      3.17556573
  O     -2.76317777      2.54032359      0.53252478
  H      1.78164916      3.51149197     -1.41534839
  H     -3.04557405      5.00906943     -1.78811097
  O     -0.45817139      8.02404254      0.17270056
  H      0.62151083      5.53071777      1.33431598
  H     -4.04589276      5.59725209     -2.80925296
  O      1.25149626      1.14847320      0.58156314
  H     -0.16054342      4.21492481      1.64295258
  H     -2.01142716      2.42532378     -4.11244975
  O      0.31030362      3.88079635     -2.53221035
  H     -2.36839287      6.74007340      2.43097431
  H     -2.38384444      3.88493854     -3.80045510
  O      0.30620951      6.71882142     -2.10116457
  H     -3.50655342      7.70333296      2.02306717
  H      0.91581169      0.52358984      3.67162011
  O     -2.60569443      0.78285024     -3.26207994
  H     -0.44610752      2.42946945     -1.63213757
  H      0.98996206      1.23080920      2.29739390
  O      2.14852600      3.81465741      3.88387045
  H     -1.33285268      1.19744709     -1.94142480
  H      1.35619905      6.37810512      5.49361077
  O     -3.53127214      4.81944762     -2.60825513
  H     -1.61292376      4.86477317      3.48311101
  H      1.43226157      5.27564648      4.40913974
  O     -1.73674294      3.33772911     -4.26544480
  H     -0.78450363      6.00061635      4.10527453
  H      3.49261312      3.88102427      0.90787693
  O      0.79473171      1.36587773      3.24207816
  H     -2.73063133      3.48818693      0.33675873
  H      4.04922058      5.14136418      1.58976402
  O      1.03809184      6.14134413      4.62718644
  H     -2.07716488      2.14027644     -0.02336730
  H     -4.04649195      2.20941827     -0.88849720
  O      3.86371235      4.20571282      1.73613169
  H      0.22817227      7.84749348      0.83239694
  H     -4.26454824      3.10827309     -2.11399433
  O     -4.40029408      2.20960119     -1.78729925
  H     -1.29207548      7.87987134      0.63368682
  H      2.91249537      5.30385588     -1.12512580
  O      3.00076123      6.25292105     -1.27737889
  H      1.81863120      1.84062617      0.22391868
  H      2.13897142      6.53315570     -1.60821679
          69
 Energy    -248.02058155503124     
  O     11.55626308     10.25583297    -14.80542387
  H     11.28100943      9.84247302    -13.97815578
  H     14.87688849     11.42202087    -17.06771599
  O     16.09269841      6.66453173    -13.44854943
  H     12.07424047     11.03690400    -14.57603164
  H     15.79409748      9.45090753    -14.80795400
  O     17.13284743     10.43082157    -11.47961989
  H     16.92304165      6.95419174    -13.05177110
  H     14.37925582      8.87884009    -15.13562833
  O     17.21644052     10.35222015    -15.42914002
  H     15.68485262      7.46053994    -13.82830584
  H     10.06336131      8.88322165    -11.90729389
  O     12.78841681      6.00466203    -15.98772396
  H     16.24196986     10.64145933    -11.79095629
  H     11.60435517      8.93461789    -11.80307287
  O     14.56062127      8.65492009     -8.49221590
  H     17.09450947     10.34698897    -10.51818289
  H     18.06902400      7.29320250    -10.40669949
  O     14.13496449      6.45075163    -11.53207381
  H     17.30250876      9.67175681    -16.11803768
  H     17.64127156      8.09288771     -9.16195626
  O     14.55447388     10.76270551    -12.45489762
  H     17.99618542     10.34579375    -14.86588159
  H     12.72025688      6.28337579    -12.73184568
  O     16.87095163      8.45515104    -17.32596224
  H     12.27155090      5.29116684    -16.35207913
  H     11.54368087      7.18180086    -13.15991902
  O     15.37912005      5.95969742     -9.05456241
  H     12.51820026      6.09729002    -15.05652500
  H     19.87715593     11.08350089    -13.24011113
  O     15.68592863      6.14426919    -16.21984727
  H     13.95681845      8.85604003     -9.21960366
  H     18.51632542     10.59710903    -12.70035271
  O     15.09609405     11.94412710    -16.28688949
  H     14.72979660      7.70604271     -8.54549335
  H     18.90904242      8.35955961    -12.72392191
  O     15.03031069      8.98790849    -14.43254740
  H     14.84775537      6.43819662    -12.18832288
  H     17.68873394      8.70468483    -11.89176307
  O     10.86360497      8.84418359    -12.42535695
  H     14.51092986      6.15729448    -10.69395756
  H     16.07897817      9.49190333     -8.61025202
  O     17.76042257      7.19549348     -9.49706699
  H     14.68806209     10.07522176    -13.12927381
  H     17.18857454     10.34392653     -7.94885431
  O     12.04801448      6.40166325    -13.41604106
  H     14.13410296     11.49428948    -12.92136879
  H     14.18625847      9.97712954    -19.16999258
  O     19.18057531     10.44988165    -13.39412513
  H     16.49312786      7.62192471    -17.00910528
  H     14.00238294      9.50664459    -17.70833947
  O     18.23140916      7.95312974    -12.17821452
  H     16.16783509      8.91088186    -17.80379955
  H     13.63158348      9.65953550    -11.37806642
  O     16.97068068      9.86204899     -8.74211117
  H     15.48675244      5.18328314     -8.51187826
  H     13.51504256      8.11451491    -11.15348668
  O     14.60394336      9.97718668    -18.31285023
  H     16.27050097      6.31896215     -9.21270835
  H     13.06570062     13.38848010    -14.36482035
  O     13.14211909      8.97353117    -10.90132840
  H     14.72985958      6.02151146    -16.21466146
  H     13.95117602     12.31063689    -15.03009729
  O     13.32695479     12.47403422    -14.29924411
  H     15.94683431      6.11525136    -15.29063685
  H     12.43769726      9.23934834    -15.92977927
  O     13.07313183      8.73267984    -16.45946287
  H     15.92260829     11.56175730    -15.96028391
  H     12.88013413      7.79141603    -16.37135701
          69
 Energy    -248.02056414265206     
  O     13.05200494     11.78464936    -10.47177164
  H     13.18552778     12.57799472    -11.01248830
  H     15.63600974     12.87064699    -17.64888872
  O     10.97385721     10.78523306    -14.74805781
  H     12.09516822     11.67393061    -10.45076352
  H     13.78437965     14.68006444    -11.71046772
  O     13.91232562      9.50524985    -11.91393224
  H     10.93420490     11.64818644    -14.31410269
  H     13.82541835     13.52281624    -12.74947524
  O     18.43787135     13.92897453    -13.29255024
  H     10.85274977     10.12753038    -14.04752872
  H     11.58815410     15.43593479    -16.21802230
  O     10.26131399     11.76040050    -11.19802319
  H     13.67342317     10.28584231    -11.39539529
  H     12.85163004     14.73218621    -15.67996665
  O     10.98546008      9.26216814    -12.42269742
  H     13.80932962      9.73262084    -12.85223566
  H     14.81611168     13.23823891    -14.54642697
  O     13.66864513     10.19791207    -14.56241097
  H     17.97652254     13.24397999    -12.77874646
  H     14.43864219     11.75686337    -14.19708641
  O     15.16926626     15.58795555    -10.85282467
  H     19.30665826     14.02247152    -12.90963247
  H     17.40852469     12.72340003    -16.22817454
  O     14.63245330     14.78243062    -15.55027661
  H     10.37414109     12.33184541    -11.97398468
  H     18.16810483     12.87496085    -14.89372015
  O     14.52316017     11.61019047    -17.83681181
  H      9.42193255     11.99619336    -10.80939978
  H     11.84381677     12.98710141    -16.74276052
  O     10.95969430     13.31980343    -13.44120630
  H     10.67517470     10.01028393    -11.89632624
  H     11.44776471     11.53125683    -16.45755377
  O     16.25496973     13.60412139    -17.46867049
  H     11.89848356      9.11254070    -12.15430068
  H     16.99670785      8.50781242    -11.73539316
  O     13.24858786     13.99831108    -12.13011230
  H     14.06589513      9.75024151    -15.31878869
  H     15.68310533      9.26223546    -12.03936361
  O     11.88793243     14.64484282    -15.77628002
  H     12.73876998     10.37544162    -14.75550925
  H     17.03999319      9.51364968    -14.10455585
  O     14.81612377     12.57456728    -13.84628550
  H     15.36825438     14.74448740    -10.40843934
  H     17.47375185     10.53500038    -15.19993433
  O     17.92905641     12.23894569    -15.57641208
  H     15.16493190     16.26072890    -10.17724208
  H     15.89504055      9.23217333    -16.13622474
  O     11.89052204     12.09390936    -17.10433018
  H     15.17613173     15.22998582    -14.88288492
  H     15.18618147      8.22241086    -17.07717828
  O     16.64327341      9.26738290    -12.19146795
  H     15.21097328     14.49441333    -16.26939649
  H     16.93054282     11.08524148    -12.05113723
  O     17.15121480      9.63245501    -15.05253347
  H     13.58418406     11.75016347    -17.64725746
  H     16.16087652     12.24139583    -12.73921722
  O     15.09507336      9.08085072    -16.67439775
  H     14.73591542     10.71757779    -17.54246201
  H     15.90663129     15.76518001    -12.62305534
  O     16.85710181     12.04625465    -12.09074524
  H     11.06756672     13.80356437    -14.26940081
  H     17.04388342     15.19711112    -13.49107312
  O     16.23003255     15.71565546    -13.53015443
  H     11.71956052     13.60108409    -12.90708349
  H     16.09457368     12.68841305    -10.53682760
  O     15.56404942     13.08860596     -9.83273629
  H     16.61192480     13.87692971    -18.30925654
  H     14.76487831     12.55327644     -9.77154420
          69
 Energy    -248.02050292497313     
  O     14.72128780      9.45063319    -11.63482777
  H     13.93013240      9.79431647    -11.19570764
  H     12.30549662      7.63423170     -7.54507543
  O     20.04526674      7.01003722     -8.86480052
  H     15.41419237      9.39421945    -10.96175367
  H     11.81901719      6.85055038     -9.73330413
  O     17.59936119      5.15606402    -11.57415860
  H     19.64075455      7.28663989     -9.70634493
  H     11.92087547      5.36762292    -10.12080198
  O     14.91627633      4.94646671    -10.99376146
  H     20.98998447      7.04097180     -8.99208993
  H     13.74645239      7.91398641     -5.66224108
  O     18.35418261      8.14487979    -13.73925179
  H     17.93405625      6.03759073    -11.35479201
  H     14.30032423      9.07215095     -6.49339524
  O     18.23209152      4.79526317     -8.77502860
  H     17.59295689      5.11449208    -12.53911757
  H     12.79153748      6.75303977    -11.78339069
  O     15.88442699      9.54164820    -14.12564619
  H     15.85880513      4.93657558    -11.20594748
  H     13.92835613      7.79046549    -12.06156582
  O     18.29372250      8.83112376     -7.50383196
  H     14.48413741      5.58471380    -11.58059820
  H     17.88848509      8.21636163    -10.63485824
  O     16.23183389      5.30168522     -6.97099183
  H     17.57421977      8.68523904    -13.91810787
  H     18.61884897      7.96041963    -11.99737652
  O     16.56921969      8.96921153     -9.63263248
  H     18.14214316      7.25745463    -14.05399800
  H     16.53618972      5.90090861    -14.50864592
  O     15.01427971      6.82786694     -8.93711507
  H     18.91958330      5.47060113     -8.71389236
  H     17.58661853      4.95728857    -15.13994078
  O     12.57935344      7.98488944     -8.40025070
  H     18.04649936      4.69726779     -9.71597603
  H     11.60877593      6.52191026     -5.27475849
  O     11.66217424      6.23348385    -10.45883669
  H     15.73346319     10.38806590    -14.53871750
  H     12.71848566      5.93064838     -6.18045951
  O     14.49432911      8.52409202     -5.73315115
  H     15.46012715      9.57862762    -13.25186211
  H     13.68223167      4.09234167    -10.04827256
  O     13.56755794      6.93641504    -12.33276396
  H     18.97067904      8.23128980     -7.84158080
  H     12.72086105      2.91191499     -9.78765691
  O     18.60282570      7.72196616    -11.05940699
  H     17.91376781      8.39634156     -6.73115600
  H     11.55931960     10.30860102    -10.38521154
  O     17.40531049      5.48429372    -14.36640282
  H     16.95408695      5.03300304     -7.55998718
  H     12.44443858      9.40890629     -9.50841952
  O     12.30539301      6.76115190     -5.87898675
  H     16.58278113      5.94900652     -6.34758618
  H     17.23646372      7.55607269     -4.42549616
  O     12.92644675      3.80142566     -9.50960545
  H     16.01884596      8.20841645     -9.39110486
  H     16.10210018      7.89191127     -5.42227930
  O     12.46965813     10.09582454    -10.19321044
  H     17.16337357      9.11150823     -8.88140726
  H     13.30759642      4.25654594     -7.70376723
  O     16.98185006      7.48319188     -5.34181892
  H     14.96511185      6.20133003     -9.66975711
  H     14.49506425      4.67377770     -6.80093832
  O     13.53415556      4.56240894     -6.81723015
  H     15.42016668      6.35485141     -8.19840445
  H     14.43157068      6.76376744    -13.96441462
  O     15.08443966      6.85199048    -14.67212030
  H     13.44386641      7.58603875     -8.59096456
  H     15.32696254      7.78642654    -14.67046239
          69
 Energy    -248.02050187901125     
  O     -6.91964912      1.88415385      0.77970849
  H     -7.33779329      1.30773018      0.12704320
  H     -4.08677820     -0.34913755      3.24166410
  O     -4.43660452      2.97219418     -2.92683600
  H     -6.61903345      2.67485760      0.30105685
  H      0.56962009      2.07705504      1.51990420
  O     -3.44632108     -1.23766546      1.82053981
  H     -4.75192114      3.24685864     -3.78466451
  H     -0.45009776      0.93539191      1.69405484
  O     -1.35350140     -0.34036714     -1.77361730
  H     -4.76580066      2.06833832     -2.78351641
  H     -1.64130099      2.61899672      1.15061216
  O     -5.26789218      0.45858045     -2.20698798
  H     -3.77505179     -2.03979248      1.39664497
  H     -2.82771383      3.64906856      1.01154562
  O     -4.47187376     -3.25636189      0.17381644
  H     -3.71954337     -0.50281663      1.24631072
  H      1.03306396     -0.78902896      0.55231442
  O     -3.66726577     -1.88018616     -2.01098504
  H     -0.47480966     -0.48763198     -2.14626935
  H      2.08276979      0.32128035      0.34408978
  O     -1.80081064      2.41523401     -2.02424399
  H     -1.55609518      0.59734862     -1.89536822
  H      2.84975877      2.83062801      0.49838460
  O     -0.81980753     -0.73222030      0.95920612
  H     -6.19838368      0.30108654     -2.00277999
  H      1.73517171      2.35108640     -0.46035142
  O      1.34177660     -0.50935963     -2.52998555
  H     -4.81574215      0.54038564     -1.35110335
  H     -7.57661043     -0.76428293     -0.63631793
  O     -7.06160981     -0.36223050      2.64590587
  H     -4.16910695     -2.81335630     -0.64007128
  H     -8.71019145     -0.13125619     -1.48322338
  O     -4.54170946      0.20474995      3.89735227
  H     -4.32549746     -4.19016933      0.05053421
  H     -6.20067278     -2.48546652      0.34144555
  O     -0.28060314      1.86015047      1.92256117
  H     -2.80937806     -1.43534559     -1.96552531
  H     -7.03912922     -1.56810272      1.27350725
  O     -2.38109313      2.90524947      0.59257716
  H     -4.29219981     -1.19791835     -2.28288138
  H     -5.12091697      1.24120383      0.59652199
  O      1.88125741     -0.59867069      0.12892714
  H     -2.61320310      2.66567890     -2.47708581
  H     -3.61202202      1.60677572      0.43334606
  O      2.10508281      2.23912979      0.43343140
  H     -1.93292169      2.65915608     -1.09451821
  H     -4.51963871      4.13944185      2.25691916
  O     -7.83173338      0.02627345     -1.14931735
  H     -1.63630530     -1.02196852      1.38263444
  H     -4.04955874      5.61391849      2.19540789
  O     -7.02656833     -1.99380315      0.40307060
  H     -1.03631948     -0.59653945      0.02522420
  H     -5.14025038      4.39198877      0.10437475
  O     -4.26145515      0.89778289      0.32417226
  H      1.90572295     -1.06994772     -3.05494675
  H     -5.23594230      3.74692033     -1.30517631
  O     -4.08539780      4.80508704      1.69263318
  H      1.61750403     -0.61845943     -1.60147690
  H     -6.06814634      2.55564330      2.39976667
  O     -5.74468998      3.96771818     -0.51663602
  H     -7.17036053      0.45455767      2.14598633
  H     -5.00900949      1.98264376      3.36246376
  O     -5.36225179      2.80761745      3.00701879
  H     -6.27898186     -0.22747244      3.19363185
  H      0.07994165      2.46340083     -2.14833020
  O      1.03118343      2.31256067     -2.07171493
  H     -4.17040280     -0.01862269      4.74742242
  H      1.18543211      1.41438474     -2.39014211
          69
 Energy    -248.02033122438570     
  O     -3.43566572      0.05305203      0.39052043
  H     -3.53578293     -0.72373574     -0.17171595
  H      2.39828956      0.34651890      4.94648562
  O     -4.83383085     -3.13477927      6.34917468
  H     -3.92151200     -0.15583624      1.19977687
  H     -0.51164846     -1.59562108      1.03632601
  O     -0.12520230      1.09585125      3.19151542
  H     -5.14841615     -3.65559264      7.08355897
  H     -1.09827054     -1.52188919      2.49411278
  O     -4.59596696     -0.99624076      2.69230590
  H     -4.80392715     -3.73097402      5.57748091
  H     -1.21290146     -4.99070423      1.05290913
  O      0.77254389     -2.65055560      5.68136245
  H     -0.87852641      0.58282432      3.52161654
  H     -1.33022492     -3.64060569      1.78295792
  O     -4.53767438     -4.73685821      4.19604288
  H     -0.35252175      1.31947706      2.28274228
  H      1.16738516     -2.11966827      2.20202398
  O     -2.06472897     -2.72355938      5.73739789
  H     -4.56454093     -1.91063265      2.37798565
  H      2.24169775     -1.46670661      3.08494508
  O      1.06559494     -5.20108812      4.78963707
  H     -5.20253336     -0.95659127      3.44361178
  H     -3.42842403     -3.95659692      1.63739046
  O     -1.16305248      1.51082262      0.51385155
  H     -0.17114810     -2.53280635      5.84937180
  H     -4.35025244     -3.21389964      0.67546617
  O      1.82050175     -4.82413741      2.03805700
  H      1.10152272     -1.81963587      5.32018845
  H      3.50584934     -1.34554000     -0.51992871
  O      0.21635360     -5.29107597     -0.12349393
  H     -4.63381663     -4.40521337      3.29501759
  H      2.63616360     -1.33971965      0.74883738
  O      1.84637553     -0.26760682      4.46981806
  H     -3.63182136     -5.06528793      4.27275840
  H     -2.98261934     -0.74215450      3.43842227
  O     -0.59765390     -2.06826196      1.87468944
  H     -1.95196063     -3.55603953      5.25399414
  H     -2.06811945     -1.37040341      4.52549941
  O     -1.73256260     -4.52249711      1.71470010
  H     -2.95503371     -2.75014421      6.10469366
  H     -0.30857157      0.08211616     -0.29982021
  O      2.12747198     -2.05793778      2.33199703
  H      1.60838369     -5.68038646      5.41039188
  H      0.97679281     -0.78391523     -0.50241627
  O     -4.30871208     -3.55543700      1.57766235
  H      1.03861999     -4.27782102      5.10034029
  H     -0.75013771     -2.29785627     -1.25881082
  O      2.72531271     -0.95293227     -0.13716543
  H     -2.01301084      1.03352074      0.48289180
  H     -0.70572821     -3.83217414     -1.06212292
  O     -2.08963791     -0.72462265      3.80789621
  H     -1.32324950      2.37546775      0.14495807
  H     -6.41189735     -0.34997224      5.63853618
  O      0.00956322     -0.79456989     -0.54831792
  H      1.55500445     -5.07295094      2.93130979
  H     -5.68091607     -1.70036744      5.55809185
  O     -1.23130984     -3.11859032     -1.43917638
  H      2.10447624     -3.90310524      2.11134792
  H     -1.71809312     -4.98567688      3.40882021
  O     -6.07123166     -0.99393644      5.02220266
  H      0.83272606     -5.13355865      0.61414795
  H     -0.80754501     -5.33175741      4.59936797
  O     -1.72466443     -5.14567661      4.36563879
  H      0.52804573     -6.07081181     -0.57512165
  H     -2.91415627     -2.73813648     -1.16138141
  O     -3.82656299     -2.44486769     -0.98882003
  H      1.18038053      0.26518163      3.99931235
  H     -4.29206898     -2.50666171     -1.81898025
          69
 Energy    -248.02025472410477     
  O      1.55601255      1.70283505      4.14899121
  H      0.92419713      2.43158028      4.18386571
  H     -4.10915133      2.63868753      0.25887237
  O      0.98537204      0.53786198     -2.52716316
  H      1.18240542      0.98488210      4.67457696
  H     -2.95485538     -0.49776835      5.33178340
  O      0.34041088     -0.62951083      5.32412246
  H      0.03304657      0.42094140     -2.42892170
  H     -2.26964496      0.34250562      4.22699797
  O     -1.53199059      0.37719395     -1.08626103
  H      1.36409606     -0.31724910     -2.28774056
  H     -0.53339753      2.79533625      0.93687852
  O      1.88110062     -2.00986817     -1.49491659
  H     -0.58792458     -0.34644907      5.39715567
  H     -0.87096304      3.36757544      2.35573700
  O      3.69958628     -0.89902442      0.19594891
  H      0.56173961     -1.07517145      6.13770331
  H     -3.17352819      0.98275645     -1.17480347
  O     -5.04002781      2.90698350      3.51080458
  H     -1.31736345     -0.50748684     -0.76062529
  H     -4.43997498      1.31805352     -1.99890300
  O     -2.57814550     -3.15184287      3.25601597
  H     -0.88579167      0.96916605     -0.67929778
  H     -2.91771630      0.20965923      1.96491273
  O     -0.36749623      3.81130167      4.08656511
  H      2.26779113     -2.71991432     -2.00144347
  H     -1.86509793      1.36201136      2.11810681
  O     -5.51190198      0.08089339      3.54982347
  H      2.58137387     -1.66488914     -0.91453502
  H      0.26238397     -2.13657096     -0.56138902
  O     -4.28497407     -1.72616390      5.11174063
  H      3.14229349     -0.42148329      0.83178425
  H     -0.36704385     -1.99731739      0.85383105
  O     -3.97915987      3.19985474      1.03159006
  H      4.55460622     -0.47732570      0.22266136
  H      1.20520752     -0.33656409      2.01042594
  O     -2.25818998      0.15338659      5.17933096
  H     -5.76071003      3.52516709      3.60417727
  H      1.89250163      0.90709463      2.60935831
  O     -1.25352074      3.00378547      1.54739101
  H     -4.69855348      3.01546037      2.60526964
  H     -3.51692240      2.97557557      4.60532577
  O     -4.09175104      1.30024144     -1.11153864
  H     -1.75263234     -2.65974904      3.21228132
  H     -2.59137162      1.99404604      5.35057368
  O     -2.12293876      0.48926288      2.43841676
  H     -3.13779638     -2.69578767      3.89652249
  H      0.95880902      1.62441106     -0.99606501
  O     -0.57530091     -2.06373650     -0.08663083
  H     -0.17161045      4.68831190      4.40600731
  H      1.13196109      1.40713841      0.53065943
  O      1.86473683      0.34139109      1.82257136
  H     -1.20647395      3.54079871      4.50156073
  H     -0.89071759     -0.74334584      2.52352289
  O     -2.69995350      2.92503836      5.11793283
  H     -5.25622683     -0.14438035      2.64295672
  H      0.10715891     -1.30325659      3.57386288
  O      0.65518448      1.92869306     -0.12991304
  H     -5.40873307      1.03665863      3.62034502
  H     -3.10381629     -3.10817307      1.48727510
  O     -0.20460398     -1.41888197      2.66676246
  H     -4.79829460     -1.09952020      4.56776136
  H     -2.37672274     -2.74479349      0.17954758
  O     -3.25393362     -2.84890835      0.56555406
  H     -4.91151869     -2.20181583      5.64962325
  H     -4.44175837      0.11143422      0.28773230
  O     -4.39098188     -0.42783754      1.08444185
  H     -3.02121286      3.27460153      1.14613182
  H     -4.07632471     -1.31035082      0.83402436
          69
 Energy    -248.02025379017761     
  O     15.09499468     10.27072704    -15.29086311
  H     15.75061118      9.57596408    -15.13080270
  H     16.72825616      5.27802823    -16.20155922
  O     15.40147308      4.99760054    -13.10784167
  H     14.26475258      9.78855278    -15.40383852
  H     18.36204558      4.91029562    -11.31451354
  O     18.63814441     13.30210709    -11.23965893
  H     15.57374967      5.05154898    -14.06009720
  H     18.02818288      6.38898488    -11.58877597
  O     19.52088848      8.34090320    -14.87068408
  H     16.25151833      5.14094643    -12.67776845
  H     18.46488055     10.43101315    -16.94695634
  O     14.66766561      7.15880218    -17.64782495
  H     18.49926902     12.98642746    -12.14362717
  H     19.65579528     10.15428473    -17.89552487
  O     18.04172881     10.20943690     -9.29248829
  H     17.80617097     13.11708887    -10.78645403
  H     17.69236034      8.14805831    -14.70417911
  O     15.41820854      8.40276182    -12.23865410
  H     19.70656593      8.89574596    -14.10083326
  H     16.48276659      7.22052703    -15.00452942
  O     18.02793337     11.77882153    -13.52234888
  H     19.50877766      8.88635392    -15.66721346
  H     17.90633405      8.71287235    -10.26554258
  O     19.38247377      5.60965414    -14.53582169
  H     15.58798059      7.42227914    -17.82839741
  H     16.92380329      8.16045429    -11.33154028
  O     13.32466178      6.73809222    -13.04229182
  H     14.24510767      7.05324406    -18.49643367
  H     13.59273828      7.89165122    -16.21917939
  O     18.39029303      5.14024158    -16.98943526
  H     18.89323804     10.60960442     -9.50779036
  H     13.17679704      7.76312809    -14.73069423
  O     15.91596370      5.55004614    -15.75492530
  H     17.37610777     10.86965235     -9.52136589
  H     19.85776801     12.18075632    -10.66363538
  O     18.03677079      5.50407476    -11.98820773
  H     14.59818065      7.90666360    -12.34046893
  H     21.20569190     11.78750691    -10.01109631
  O     19.07948956      9.74151013    -17.25795773
  H     15.90624602      8.27269904    -13.06908344
  H     20.02903379     10.23243154    -11.79439975
  O     16.73573759      8.06469131    -14.61255213
  H     17.13283228     11.57200356    -13.22064411
  H     18.99593560      9.09496022    -11.99397432
  O     17.82381342      8.06910064    -10.98440967
  H     18.58702186     11.05251762    -13.21542730
  H     15.43900920     12.61504900     -9.76734080
  O     13.13689572      8.34504095    -15.49863309
  H     18.93809482      5.51134639    -13.68639664
  H     15.83068060     11.90429334    -11.07895388
  O     20.41117953     11.42588345    -10.39359022
  H     19.57508707      6.55453323    -14.63089277
  H     17.79284414      6.80111379    -17.77071377
  O     19.58881485      9.69691540    -12.46612870
  H     14.01760368      6.05288613    -13.03492720
  H     17.90760325      8.34080220    -17.81847094
  O     16.17725373     12.22677988    -10.23107029
  H     12.54596285      6.34408126    -12.65811019
  H     15.15444769     11.06480155    -13.58197541
  O     17.33178193      7.60265980    -18.04826690
  H     18.81054844      5.25072817    -16.11667262
  H     15.37848900     10.19661308    -12.34800359
  O     15.41845057     11.11543576    -12.65338765
  H     18.83186901      4.41240272    -17.41781318
  H     17.70946175     11.78111489    -15.35473804
  O     17.38653953     11.56111020    -16.23956264
  H     15.35641949      5.96853299    -16.42189703
  H     16.48480178     11.24015713    -16.10579990
          69
 Energy    -248.02017097745795     
  O     14.12097129     14.54001296    -12.93253864
  H     15.00249214     14.60086423    -13.32828185
  H     12.53542841     12.55951740    -14.70856446
  O     14.17990615     10.68405980    -18.01771100
  H     13.51641399     14.54350052    -13.68219248
  H     14.47171189     12.49984510    -17.47712135
  O     14.56182641      8.67280381    -12.13987823
  H     13.55526439     10.26392416    -17.40316941
  H     15.55036051     13.52825920    -17.06308362
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  H     12.10159270     14.88356418    -15.86554847
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  H     13.91003496      9.37986612    -12.02977120
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  H     19.14068704     14.81569649    -11.80149571
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  H     13.76808029     11.94255636    -11.10123293
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  H     12.58439903     10.29574183    -15.46281643
  H     15.67898514     10.09174638    -16.96835959
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  H     12.87867156      6.14242261    -12.56004478
  H     11.33114874      8.39563056    -15.20737211
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  H     11.50846197      6.98603368    -14.62243995
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  H     15.87507724     11.32107272    -11.41168612
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  H     15.93908022      9.82207876    -11.81222224
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  H     15.86468621     11.25328805    -13.41735574
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  H     12.52501833     11.03439817    -12.71003380
  H     16.97168043     14.25569297    -15.03614789
  O     10.92686050      7.75716993    -14.60707280
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  H      9.83726016      8.38544187    -11.68314492
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  H     14.73097635      8.25904265    -13.90010725
  H     10.73254661      8.26429566    -12.93829991
  O     16.59770363     14.26519946    -14.14657311
  H     15.37223855      8.48602596    -15.30793661
  H     15.90972587     13.38087036    -10.25146240
  O     10.73406390      8.48922327    -11.99089890
  H     17.93538525     10.76192564    -16.08760291
  H     16.90278748     13.40555324     -9.08176778
  O     16.78235999     13.70606540     -9.97969881
  H     18.70781723     11.45460893    -14.93792015
  H     18.00901702     14.20041809    -17.38926348
  O     17.42825370     13.77089379    -16.76746706
  H     13.74695348     11.68400653    -14.31613900
  H     17.87154963     12.94726974    -16.49169784
          69
 Energy    -248.02014074795301     
  O     -1.14766617      0.26634918      1.12111785
  H     -1.12912808     -0.69242879      1.02261458
  H     -2.76496663     -1.60166493      4.06141772
  O     -1.71732389      5.16673407     -0.84873564
  H     -0.50939490      0.50789189      1.80622864
  H     -3.75163622      5.10975547      4.52149861
  O     -2.36528061      4.22161723      1.69739834
  H     -1.83432128      5.91204794     -1.43105927
  H     -2.95498756      4.41663670      3.39305869
  O      1.87087517     -0.68739770     -0.77247727
  H     -1.98580841      4.37233671     -1.34625616
  H     -0.29141181      0.90978830      4.35922594
  O     -3.82234878     -2.52284272      1.15431163
  H     -2.73992719      3.34894957      1.51049216
  H     -0.99229477     -0.13649613      5.24039022
  O     -0.84891951     -1.41108021     -1.87102032
  H     -2.21109924      4.65610371      0.84915361
  H     -2.64835797      1.12477731      1.27862460
  O     -3.55177764     -1.20857238     -1.38362621
  H      1.41549325      0.14481417     -0.96034866
  H     -3.60441174      1.58480117      2.39889693
  O     -2.33805774      2.83196713     -2.04829793
  H      1.31659231     -1.35648827     -1.18177228
  H     -2.59883251      1.25824106      4.52611931
  O     -0.05202346      1.34866768     -1.16564990
  H     -4.43049525     -3.24787954      1.27510159
  H     -3.57978359      2.43711489      4.38831421
  O     -1.05184241     -2.51869661      0.67120478
  H     -3.77339202     -2.05779445      2.00797985
  H     -0.63784420      2.71630532      5.40352569
  O     -1.14529346     -1.99223325      4.95705427
  H     -0.57266378     -0.48919994     -1.90239425
  H     -1.46635206      3.96707806      5.07618372
  O     -3.54759358     -1.31893745      3.57079656
  H     -1.81987478     -1.38222801     -1.84326558
  H      0.81641906      3.86990147      0.74053700
  O     -3.23698570      4.33237762      4.31934046
  H     -3.74758857     -1.62831719     -0.53674955
  H      0.03303898      4.39599331     -0.47379069
  O     -0.92675371      0.81324283      5.08556206
  H     -3.95975820     -0.33571927     -1.34738118
  H      0.06655808     -2.57135349      2.10685821
  O     -3.43876753      1.66110489      1.45073869
  H     -1.58849274      2.24469829     -1.89030337
  H      1.33554171     -1.86991388      2.63353580
  O     -3.48775902      1.49247817      4.21715878
  H     -3.13289665      2.33996818     -1.81005723
  H      1.52532616      0.66016244      2.59123895
  O     -0.56278430      3.66188854      5.22242100
  H     -0.46747669      0.97431774     -0.37274145
  H      0.76950892      2.05026564      2.72530809
  O      0.74644484      3.79772283     -0.21967625
  H      0.32388492      2.20385253     -0.90491212
  H     -0.58973341      3.93614013      2.23070818
  O      0.58121041     -2.40077250      2.90911361
  H     -0.93699687     -2.27181266     -0.25773352
  H      0.18980725      3.86793024      3.54884134
  O      0.73756996      1.10454476      2.92603516
  H     -1.99484588     -2.67248871      0.81549373
  H     -4.27882749      1.52535839     -0.09132070
  O      0.29938510      3.80580576      2.58840381
  H     -1.02920180     -2.69021401      5.59613911
  H     -5.50552987      1.66957095     -1.02533305
  O     -4.58283112      1.42821419     -1.01040963
  H     -0.49470132     -2.14989793      4.24933766
  H      3.58111433     -0.74682938      1.91143232
  O      2.63642153     -0.63205703      1.84863460
  H     -3.71168048     -0.40678071      3.83412842
  H      2.41142015     -0.68408762      0.90372961
          69
 Energy    -248.02011378502573     
  O     18.51437699      9.22251191     -9.86330984
  H     17.98222188      9.37043849    -10.66809328
  H     12.61663617      9.47349528     -6.84543128
  O     16.44736883      3.34646893    -11.01344780
  H     19.34562767      9.67052184     -9.99335376
  H     17.76526820      6.04691563     -4.58392436
  O     13.74976759      5.63149942    -12.25501327
  H     16.52874305      4.07333492    -11.64636744
  H     16.95372659      5.57765738     -5.80359556
  O     12.99715964      7.49086367    -10.37457702
  H     15.50499493      3.26422051    -10.82506201
  H     14.21788631     10.38555757    -10.76467629
  O     16.67639404      7.83986107    -14.33149653
  H     13.58082320      4.82830116    -11.74686594
  H     13.73348321      8.96897563    -11.09596576
  O     13.63437549      3.44242288    -10.44556540
  H     14.71419147      5.69556848    -12.32903339
  H     16.70770519      6.41132339    -13.11643298
  O     16.94220702      9.50635048    -12.02265053
  H     13.70155215      7.40856409     -9.71199124
  H     16.87259553      6.17929903    -11.58628641
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  H     13.16812399      6.81964211    -11.04784932
  H     13.97016376      8.75443668    -13.12238591
  O     13.84392601      4.72579298     -8.04027955
  H     16.89709347      7.93160398    -15.25405811
  H     13.72574684      7.25239513    -13.40888993
  O     15.07110699      7.10045573     -8.67788538
  H     15.71014944      7.94607576    -14.26053454
  H     13.02570890      8.54450976     -4.46982524
  O     15.63715346      8.33885343     -6.24056790
  H     13.66702939      3.86054416     -9.56771568
  H     14.01927999      8.34309978     -5.63795639
  O     12.40722204      9.90806562     -7.68137416
  H     13.06242445      2.68325366    -10.36546650
  H     11.51194270      7.73964021     -9.49845312
  O     17.29071964      6.36685272     -5.34608421
  H     16.98761466      9.00673545    -12.84519389
  H      9.97892093      7.93865239     -9.42537629
  O     14.18533841      9.73546799    -11.47769174
  H     16.00138082      9.60760901    -11.82440855
  H     15.92543971     10.60086148     -8.36831913
  O     16.52606346      5.78933896    -12.40278406
  H     17.88559388      5.88245608     -9.51204395
  H     17.31177883      9.93008332     -8.54911043
  O     14.02038680      8.07833784    -13.81145124
  H     18.00535420      7.43721108     -9.80837858
  H     15.45305330      4.24872158     -7.11326290
  O     13.07433472      8.35255345     -5.40248515
  H     14.35281181      5.51265003     -8.28760797
  H     16.93995448      4.11074082     -7.52061888
  O     10.76955400      7.91540643     -8.89320119
  H     13.07563719      5.07030768     -7.56288722
  H     11.35320682      6.69803024     -7.50492289
  O     16.67803835     10.23293528     -7.88869165
  H     15.24323506      7.55109011     -7.84213878
  H     12.24186501      6.85457060     -6.26592307
  O     16.35195790      4.22388986     -6.76349949
  H     15.91700798      6.96921819     -9.12538468
  H     14.11163248     12.18846895     -8.99061236
  O     11.84198676      6.19274493     -6.84418238
  H     16.09053305      9.05512011     -6.70964253
  H     13.60609621     10.78459332     -8.59086978
  O     14.27966847     11.25718547     -9.11259306
  H     16.28774378      7.71359118     -5.88923602
  H     17.54034054      3.73115670     -9.71536282
  O     18.11762095      4.07044490     -9.00718341
  H     11.75132720      9.34122986     -8.10435903
  H     18.89010271      3.51179891     -8.99085644
          69
 Energy    -248.01984192409677     
  O     13.01772648      6.55839944    -16.20339701
  H     12.60311507      6.46685366    -17.05695047
  H     10.79915712      5.69737604     -9.93389477
  O     11.86056791      9.31266319    -10.45322855
  H     12.50061620      7.22168429    -15.71174907
  H     16.94958949      4.93409434    -13.43046128
  O     15.78069662      6.11130193    -10.69944641
  H     11.42061778      8.46672482    -10.30677902
  H     16.77946534      6.04291737    -14.47804549
  O     14.35138033      2.08901716    -10.76807953
  H     12.52681668      9.37088463     -9.75752851
  H     14.71970014      8.67537806    -12.41079839
  O     13.85586105      9.16406843     -8.40803373
  H     15.36846998      6.75927396    -11.29396396
  H     14.91672758      7.47626427    -13.38123628
  O     12.23770441     10.55047780    -12.85476129
  H     15.80332446      5.29132269    -11.20824390
  H     11.87247168      9.14458991    -14.17997405
  O     15.55038699      3.98433663    -12.47146298
  H     14.50794451      1.15310649    -10.67214283
  H     11.62080385      7.66683015    -13.88696786
  O     12.11726728      2.62057470    -12.21305844
  H     13.53608791      2.18576851    -11.29421248
  H     17.18280714      7.17153454    -10.36498891
  O     15.02599207     10.48839278    -12.52979048
  H     13.83432439      9.68365742     -7.60879371
  H     18.52535067      7.55447359     -9.70065864
  O     12.97191533      3.63867012     -8.76781055
  H     14.62455627      9.47091402     -8.92228657
  H     17.24371689     10.27775056    -15.26064054
  O     10.59251651      3.83134557    -10.05934733
  H     12.07126755     10.10382938    -12.00452714
  H     17.25669974      9.22315489    -14.12704724
  O     11.18625785      6.58177712     -9.91932684
  H     11.65633470     11.30676033    -12.87834295
  H     13.81447053      7.29376865     -8.53753432
  O     17.43969845      5.60042621    -13.92534265
  H     15.27424702      3.25714895    -11.89983424
  H     14.49301026      6.23373035     -9.43443771
  O     14.58344118      7.72626129    -12.50843795
  H     14.79713547      4.17926188    -13.04628513
  H     16.65845762      9.33592513    -10.03635487
  O     11.67394954      8.30743323    -14.61228071
  H     12.36877368      3.21727556    -12.92975237
  H     15.68764805     10.26448627    -10.81463204
  O     17.83935658      7.88305973    -10.27647175
  H     11.49725279      3.09531476    -11.64655656
  H     18.03136482      7.23468523    -13.37293992
  O     16.67376314      9.75841972    -14.70016803
  H     14.09817399     10.64020501    -12.75526940
  H     18.14555516      8.16480195    -12.14957790
  O     13.76379239      6.36948550     -8.81234370
  H     15.53403211     10.38518508    -13.34534070
  H     12.94657526      7.04363403    -12.43539563
  O     15.92626746      9.95530344     -9.93049483
  H     13.58397104      3.15688816     -9.33738073
  H     11.70991627      6.53868299    -11.63754648
  O     18.15507903      8.16022144    -13.11217674
  H     13.32988833      4.52792626     -8.64817760
  H     15.77777520      8.12528171    -15.22215440
  O     12.10552684      6.56599396    -12.51525544
  H     11.40530510      3.70686146     -9.53488527
  H     14.67732073      7.06756640    -15.62045744
  O     15.48218897      7.21374159    -15.10772164
  H      9.91285661      3.30910695     -9.64070657
  H     12.76755108      5.22249617    -13.40714956
  O     13.20204452      4.57291025    -13.98466314
  H     12.05551958      6.49055617     -9.50050916
  H     13.20687527      4.98366342    -14.85331182
          69
 Energy    -248.01980371884730     
  O     14.61200802      6.94951089    -14.05644146
  H     14.07562422      6.70602181    -13.29121046
  H     17.52544574     12.08988260    -15.39764077
  O     18.10740619      8.66660084    -11.77853209
  H     14.74677008      7.90780031    -13.99091204
  H     14.39739870     10.11690957    -14.25748107
  O     19.07466532     10.95667621    -15.63029552
  H     18.21757845      8.13546129    -10.98040691
  H     15.82738535      9.56978740    -14.65019471
  O     11.54899046      8.85349132    -15.54466427
  H     17.36706119      9.26776158    -11.60981029
  H     12.27103437     10.79960091    -12.88272964
  O     15.39591694      7.20278426     -8.97505732
  H     19.89553558     11.14537269    -16.07613249
  H     11.33121324     11.24697028    -11.74560594
  O     13.16175836      6.62178542    -11.73403826
  H     19.26990710     10.92408889    -14.67578833
  H     17.35233702      5.53476194    -12.36448128
  O     16.00880216     10.44442102    -11.51887560
  H     11.26265610      8.44475811    -14.71351375
  H     17.61606689      5.67171811    -10.85190605
  O     14.99523654      9.39999331    -17.38924940
  H     12.10933972      8.20715916    -15.98777828
  H     11.16934192      8.83251030    -12.56054792
  O     14.74168225      4.77554147    -10.35751790
  H     15.07419344      6.35710574     -9.31293704
  H     11.61812191      7.36507332    -12.55395741
  O     17.19104015      8.91455641    -15.77801330
  H     14.81303046      7.87897242     -9.34115034
  H     18.75871350     11.58304236    -12.63201523
  O     13.52990861      7.07704448    -16.59069605
  H     13.58817391      5.90004072    -11.25597185
  H     19.07687970     10.07469925    -12.52808518
  O     16.77946167     12.58213914    -15.03340818
  H     13.42384092      7.44417982    -11.29480431
  H     16.44887457      6.79742952    -13.87304457
  O     15.16790218      9.62459011    -13.94678943
  H     16.38325213     11.32436405    -11.64327916
  H     17.63395622      7.50668951    -13.13256561
  O     11.93243958     10.55285231    -12.00651888
  H     15.68679035     10.16372754    -12.39274536
  H     17.11876610      7.13519422     -9.26837288
  O     17.18268408      5.11644349    -11.51285371
  H     14.42589971      8.63594041    -17.24211200
  H     18.55555989      6.91397583     -8.73500123
  O     10.99557738      7.97589990    -12.96852005
  H     15.84377247      9.17008666    -16.98409076
  H     14.27701452     12.48509626    -17.44017441
  O     19.35927555     10.89757129    -12.94976251
  H     14.63966077      3.87474162    -10.06292336
  H     14.65041629     11.05254832    -16.99281722
  O     17.41422070      6.86219779    -13.82284213
  H     15.59489908      4.82520116    -10.82443337
  H     13.12319213      9.57643811    -10.88841525
  O     18.04654580      7.00488955     -9.53569434
  H     17.43180987      8.15497642    -15.23294913
  H     14.64971794      9.55719066    -10.74395064
  O     14.50500578     11.96270573    -16.67546099
  H     17.92532298      9.54163838    -15.76966247
  H     17.02681318     12.76949133    -13.31398925
  O     13.84904333      9.06427611    -10.51083110
  H     13.45461554      6.22174361    -17.00619705
  H     17.33264864     13.71151885    -12.12507546
  O     17.26508559     12.79261842    -12.36930908
  H     13.91964931      6.92814106    -15.71304858
  H     12.34486928     10.29659493    -15.00735032
  O     12.85361316     11.01607891    -14.59329963
  H     16.01851030     12.40325551    -15.59747648
  H     13.28604505     11.51120833    -15.29804328
          69
 Energy    -248.01970210882516     
  O     15.60087546      4.77919334    -15.82667266
  H     15.76385012      5.72607934    -15.93777253
  H     15.77466218     10.50778611    -17.66184007
  O     19.10389414      6.99235600    -10.06512979
  H     14.67084805      4.71343429    -15.57719201
  H     16.70965285      9.14874751    -11.35136691
  O     13.33330554     10.61632746    -10.27008247
  H     19.71109875      6.49302265     -9.52380954
  H     15.62433774      9.68472707    -12.33251367
  O     19.64820788      9.92738135    -13.94787383
  H     18.91086628      6.43306403    -10.83204731
  H     12.18660312      4.35484340    -14.66093300
  O     17.07192677      3.55948501    -13.89599631
  H     12.68400619     11.27670082    -10.04263838
  H     13.47758942      4.52836356    -13.82409212
  O     12.86791700      8.02109945    -11.39129080
  H     13.78354469     10.93093195    -11.07332120
  H     14.89652479      8.31868884     -8.70555921
  O     18.69116434     11.39653330    -11.66114834
  H     19.10504871      9.12135653    -13.97279292
  H     14.63680146      9.76077245     -9.15602719
  O     14.11674368      6.62309541     -9.17253107
  H     20.53696907      9.66799369    -14.17666549
  H     16.61466177      5.99912123    -11.55429535
  O     15.79996442      7.55224437    -15.70633435
  H     16.60396140      3.99358097    -14.63246660
  H     15.67654870      7.22288665    -11.64686270
  O     18.25697740      5.60430347    -12.34973095
  H     17.41223971      2.73684107    -14.23772610
  H     17.00279969     13.82333082    -12.76615179
  O     17.58348375     11.41691140    -15.25792125
  H     13.12656714      7.46175569    -10.65048673
  H     17.51571575     12.40469563    -12.41542271
  O     15.75346039     10.13423314    -16.78507406
  H     12.92077848      8.92126492    -11.04749003
  H     18.22655968      8.59396319     -9.86774679
  O     16.18803093      8.92900523    -12.13688611
  H     18.43748205     10.77736704    -10.96270398
  H     16.95355468      9.36316125     -9.35311696
  O     12.99836808      4.85173433    -14.60853305
  H     19.12296957     10.87752577    -12.35025316
  H     14.23347031     11.00129646    -13.40624751
  O     15.28181104      9.20320026     -8.70300113
  H     13.91828076      5.80297883     -8.72835677
  H     15.34086150     11.88229223    -12.71353044
  O     15.72931535      6.30937332    -11.33144216
  H     14.76703901      6.41415434     -9.86576098
  H     13.21679376      6.69942883    -14.28808940
  O     16.85345033     12.89729220    -12.93517200
  H     15.79202021      8.38566420    -16.19306604
  H     13.29721705      7.72443295    -13.12358782
  O     17.74177665      9.42970589     -9.91370242
  H     15.06384180      7.58752299    -15.07682581
  H     15.38881171      3.71648543    -12.91947705
  O     14.63775863     11.24057000    -12.55776579
  H     18.22911182      6.35425232    -12.96361368
  H     14.84516524      4.88604249    -12.09361669
  O     13.52271269      7.58403049    -14.05545044
  H     17.95746444      4.83262981    -12.84667481
  H     13.44014735      9.35615868    -14.67010365
  O     14.57546556      4.07212947    -12.54175821
  H     18.35310126     10.95292033    -14.90755467
  H     14.25572407     10.28127506    -15.60176375
  O     13.61221450     10.28382463    -14.88333213
  H     17.29134865     12.00500075    -14.55096722
  H     17.29485794      7.66186051    -14.68082036
  O     17.88597006      7.84458686    -13.93912150
  H     16.42334233     10.60861541    -16.26067096
  H     17.32280938      8.28252265    -13.27910068
          69
 Energy    -248.01960120688699     
  O     12.05179879      9.64050925    -10.87616950
  H     11.50876829     10.39828037    -11.12721060
  H     15.65484034     14.45110567     -7.43953744
  O     11.66009054      7.53881296    -12.65010337
  H     11.94493875      8.95951780    -11.55245022
  H     10.93678721     12.68345846    -10.13637762
  O      8.60626184     10.47296654    -12.77806037
  H     11.15975012      7.96376372    -13.35958048
  H     11.90719301     12.71524436     -8.91038601
  O     14.54520107     10.34747883    -10.13388923
  H     11.02707274      7.21491797    -11.99155715
  H     11.71548938      8.62963901     -7.85490796
  O     15.68557834      7.78180258    -10.40948726
  H      8.41482824      9.95646979    -11.98396893
  H     11.82643737      8.65085386     -9.39454369
  O     12.16259325     15.15188329    -10.98485229
  H      9.09024515      9.90049885    -13.38625028
  H     11.69883146     10.24578394     -5.79186126
  O      8.21283297      9.24447205    -10.23447628
  H     13.66301005     10.09560825    -10.45531575
  H     12.26264015     10.73018021     -7.14814039
  O     12.48124907     13.28591881    -13.12400024
  H     15.07233284      9.54092908    -10.14602162
  H     13.38751602      5.45377646     -9.36793541
  O     14.90799809     14.44633959    -10.55357936
  H     16.55596456      7.43075853    -10.24038730
  H     13.09326465      6.88332441     -8.88480179
  O      9.95564271      7.00614081    -10.53493467
  H     15.05642516      7.21353371     -9.93170187
  H     14.81414174     11.55436415    -11.46281173
  O     14.42483172      7.94802322    -12.98776395
  H     11.78415866     14.54561407    -10.32648250
  H     15.01685389     11.55152492    -12.99154238
  O     14.96442179     13.94720989     -7.86063144
  H     11.72462170     15.99092877    -10.86625355
  H     10.99729805      9.78676363    -14.68775887
  O     11.15979993     13.16828819     -9.32325668
  H      8.66854068      9.84623287     -9.62123310
  H     10.04223339      8.84819751    -15.46052863
  O     11.78035845      8.05793856     -8.62763616
  H      7.32006086      9.15828536     -9.90745224
  H      9.86364372     11.50304029    -12.09584198
  O     11.62068220     10.12667061     -6.73460297
  H     13.31979300     12.90172677    -12.82501492
  H     11.20286310     12.31685507    -12.27204260
  O     13.80846360      6.28161271     -9.14788809
  H     12.33164064     14.05924778    -12.56701223
  H      9.82628264     11.80163114     -8.69085015
  O     14.86642877     12.13395244    -12.23652044
  H     14.02345915     14.79000329    -10.73034195
  H     10.08762024     10.58771840     -7.80095592
  O     10.33778215      9.07720215    -14.58298630
  H     15.04325345     13.72354172    -11.17858620
  H     12.21619362     11.88230825    -14.41381140
  O     10.63440125     11.86407951    -11.63635949
  H      9.28671975      7.70252337    -10.49969596
  H     13.15365450     10.70829724    -14.73032773
  O      9.47422924     10.93530334     -8.45927615
  H     10.50815862      7.16732921     -9.75960835
  H     15.57498421     10.04763275    -15.00777637
  O     12.23781514     11.00358943    -14.81062541
  H     14.85420262      7.82845403    -12.13302863
  H     14.76961984      9.39383043    -13.85900214
  O     14.93313627     10.23256648    -14.32741206
  H     13.50399076      7.67198682    -12.88651589
  H     13.88785567     12.54355870     -7.87113990
  O     13.32717595     11.78334017     -8.08560442
  H     15.01768876     14.15742186     -8.80894514
  H     13.80724353     11.26731775     -8.74781501
          69
 Energy    -248.01932486130306     
  O      1.09523596     -0.30089594      4.17057525
  H      1.10128348      0.65485042      4.29792503
  H     -3.31272082     -0.60641546      5.81770819
  O     -4.16545575     -0.78480176     -2.40074035
  H      0.84380839     -0.45487594      3.24865587
  H     -3.29660985      3.91581674      3.11721131
  O     -0.30275290     -2.09201999      5.60377143
  H     -3.76634424     -1.66295588     -2.42201255
  H     -3.22193859      3.28265704      1.72626206
  O     -6.47372084     -1.09695879     -0.99070077
  H     -3.48249365     -0.18807948     -2.06682779
  H     -1.31812246     -0.69280650      6.54721901
  O     -3.13374559     -3.44862118     -1.95190950
  H      0.22474778     -1.45362996      5.09045481
  H     -1.81310142      0.77290254      6.46775319
  O     -1.83999661     -1.91477364      0.00874621
  H      0.30792320     -2.53739494      6.18626316
  H      0.22822612      3.07696486      2.78966306
  O     -4.25089062      3.41882496      4.73556078
  H     -5.68153791     -0.91471058     -1.52728757
  H     -1.05563794      3.58678580      2.07768834
  O     -2.49516291     -3.27261853      4.31530300
  H     -7.22829781     -0.88797490     -1.53464956
  H     -4.46818449      1.04240688      1.18499574
  O      0.83495159      2.53395738      4.54198383
  H     -3.90556244     -3.59916259     -1.37647295
  H     -3.10390591      1.26868891      1.85380297
  O     -2.18820001      0.65740954     -0.99853905
  H     -3.04223748     -4.22160362     -2.50159259
  H     -1.45173538     -0.00270728      2.76209353
  O     -5.53660085      1.09735476      4.09536679
  H     -1.97705130     -1.02622400     -0.35404312
  H     -2.72476687     -0.14102875      3.69294192
  O     -3.84925337     -0.89940402      5.06483567
  H     -2.11828205     -2.53488406     -0.67580795
  H     -5.80651271     -2.82739651     -0.47784658
  O     -2.82129325      3.96644562      2.28028889
  H     -4.87408652      3.99476658      5.17008611
  H     -4.83302058     -3.30288357      0.61520903
  O     -1.97645558     -0.07948902      6.89468643
  H     -4.74476463      2.61786182      4.48409463
  H      0.16832484      0.11643816      1.08262591
  O     -0.15808794      3.25536473      1.92632717
  H     -1.70507640     -2.88297867      4.72286861
  H     -0.54187382     -1.25547217      1.13231935
  O     -3.65724334      1.56048973      1.11255796
  H     -2.54584294     -4.17326398      4.62805321
  H     -2.57375574      2.75586966      5.24709312
  O     -2.17861808      0.47073234      3.18350883
  H     -0.07064493      2.52052068      4.89782309
  H     -1.85224833      1.63892681      4.47798853
  O     -5.23248588     -3.56213571     -0.22611269
  H      1.33769008      3.12939389      5.09235180
  H      0.14646254      2.22519118      0.61206126
  O     -0.04494839     -0.62338620      1.66800453
  H     -1.30726316      1.02454878     -0.86024150
  H      1.09763548      1.85534141     -0.55232349
  O     -1.76928391      2.22383000      5.24935739
  H     -2.75332403      1.04959509     -0.31396835
  H     -3.10556832     -2.19050119      1.28675812
  O      0.32678033      1.55822142     -0.07714541
  H     -5.05861919      0.38398711      4.54158968
  H     -3.37478445     -2.75861640      2.70206187
  O     -3.80730392     -2.39460687      1.92260458
  H     -5.77832230      0.73142530      3.23676756
  H     -5.07079330     -1.00265865      1.80392526
  O     -5.68092359     -0.28262034      1.58944234
  H     -3.61242064     -1.81761992      4.90210414
  H     -6.08221539     -0.51103080      0.74190961
          69
 Energy    -248.01930572377415     
  O     -2.10859375     -0.90014511     -2.19273390
  H     -2.08118819     -0.10267775     -1.63472535
  H     -1.32034389     -4.68099507      0.43498168
  O     -0.01607598      2.15052323      3.04159494
  H     -1.68537431     -0.67660862     -3.01744605
  H     -1.97434308      1.05238399      6.60196029
  O     -3.51038947     -3.62526200      3.99896706
  H     -0.94827655      2.23380436      3.28087701
  H     -2.37989729      1.00853148      5.11292848
  O     -0.81926367     -4.13344247      3.40892651
  H      0.30796479      1.36890889      3.50361304
  H     -2.72904123      1.14524881      3.00486569
  O     -4.25767210     -3.39430168      0.22366496
  H     -3.19784940     -3.23013366      4.82597536
  H     -3.56886168      2.38772779      3.35892518
  O     -6.41122141      0.67147914     -0.85709059
  H     -4.01087510     -2.93922284      3.53250432
  H     -1.31051654      1.68406124     -0.26707762
  O      0.34072092     -0.34310249      4.43290432
  H     -1.74495171     -3.96219388      3.63453022
  H     -2.36516256      0.71306137      0.34448725
  O     -4.01298586     -5.53475049      2.05411894
  H     -0.82448047     -4.70206489      2.62602396
  H     -5.97588664      1.27306750      2.26820111
  O     -4.50823925      2.66008566     -0.16350984
  H     -3.31642544     -3.21268655      0.08160288
  H     -6.45318842      0.50322254      1.02384341
  O     -0.39267560     -1.72171431      2.08257794
  H     -4.30381747     -4.21885478      0.72179391
  H     -1.87371572     -0.73643821      1.95858565
  O     -1.54184175     -2.86912860     -0.24440142
  H     -7.17513126      0.71443672     -1.42601050
  H     -3.43135645     -0.72636932      2.05739938
  O     -1.29880545     -5.42940850      1.04558003
  H     -5.87572532     -0.08024095     -1.16701274
  H     -5.46395349     -1.06620821      2.32682240
  O     -1.99606334      0.48404270      5.83542886
  H      0.58759599     -1.18684032      4.83259984
  H     -4.78670641     -2.28671272      1.59713151
  O     -2.79869525      1.87891845      3.63701311
  H     -0.43338935     -0.04476955      4.93007739
  H     -3.97762887     -1.23273260     -1.95936951
  O     -2.12042546      1.19010035     -0.46279155
  H     -4.55491959     -6.26044022      2.35359124
  H     -4.81258902     -2.17689144     -1.07670122
  O     -6.34044974      0.42856338      1.98064873
  H     -3.88219462     -4.95063893      2.81990011
  H     -4.83579713      2.95819128      1.51829208
  O     -2.65845497     -0.18049029      1.86499373
  H     -3.65240062      2.25830671     -0.36137488
  H     -5.57578577      3.80940220      2.57581660
  O     -4.82772629     -1.79026248      2.42624005
  H     -5.17386049      2.04416176     -0.49618490
  H     -1.33049200     -2.57615440      6.07303127
  O     -4.87665374     -1.40705622     -1.65672976
  H     -0.01983274     -1.14456832      2.76125754
  H     -2.30141241     -1.38640539      6.03628617
  O     -5.06905733      3.00963912      2.46338035
  H     -0.51681282     -2.57987307      2.51210823
  H      0.13710073     -3.48689912      4.76265920
  O     -2.26765029     -2.34983467      6.08755804
  H     -1.63499121     -2.25372740     -0.98268381
  H      1.14773761     -3.53988470      5.93060933
  O      0.51412233     -2.97334485      5.49797213
  H     -1.04288995     -2.40794080      0.44253809
  H      0.15153597      2.39712265      1.29091059
  O      0.14078874      2.50627731      0.32517856
  H     -2.21840201     -5.61748583      1.27197701
  H      0.72466198      3.23622251      0.13785906
          69
 Ord_Energy   -248.019302    
 O   0.866965473       4.07736254       6.78418493    
 H    1.01371050       3.45800972       6.05528927    
 H   0.681886792       3.54573870       7.56571579    
 O    3.06119657      0.815738857       6.59272528    
 H    2.49578047       1.29885125       5.97480536    
 H    2.77948713     -0.106521361       6.63578701    
 O    1.80991518       1.46775898E-02   3.18075967    
 H    2.69597197     -0.353589475       3.34431720    
 H    1.61050475     -0.156570494       2.26405740    
 O    3.11525559      -1.98028576       9.58545971    
 H    2.74885941      -2.14785457       10.4500837    
 H    3.80745506      -1.31275439       9.71136665    
 O    6.28872585       3.50428176       5.90649796    
 H    7.20152664       3.41924167       6.20786810    
 H    5.76603746       3.73323870       6.68917847    
 O    6.25364685     -0.931910455       7.29566526    
 H    6.09025574     -0.264411926       6.60983372    
 H    5.78743553     -0.640110135       8.09052658    
 O    2.94897938       5.79341269       6.74511337    
 H    2.15454435       5.23033047       6.79067373    
 H    2.64684248       6.69701290       6.72205830    
 O    8.52192593      0.542277277       8.20375919    
 H    7.88725138      -8.02515671E-02   7.82855797    
 H    8.21974087      0.707099855       9.10578156    
 O   0.341158748     -0.930492938       5.47467041    
 H   0.760900378     -0.654769599       4.65183496    
 H    1.00688446      -1.43946052       5.95836353    
 O    5.00337696       5.59532195E-02   9.65514088    
 H    5.77290964      0.430544198       10.1012545    
 H    4.38274097      0.784045458       9.50480938    
 O    4.77430582       4.20522404       8.16929531    
 H    4.18358278       4.85007763       7.76015997    
 H    4.21801758       3.48734093       8.50284290    
 O    4.93990946      -2.85779095       5.81507778    
 H    5.37268257      -3.70758820       5.82621193    
 H    5.47378588      -2.26560163       6.37144852    
 O   0.412841171       2.35318661       9.05738735    
 H   -1.61328092E-02   1.74460840       8.42912483    
 H  -0.226084873       2.53004026       9.74292374    
 O    7.29296064       1.30451393       10.6833696    
 H    7.23733282       2.20517993       10.3147440    
 H    7.68132257       1.38527906       11.5501213    
 O    3.86219740       4.16857672       4.54515457    
 H    3.57457209       4.83590794       5.18087292    
 H    4.76871538       3.95633459       4.79761553    
 O  -0.839188159      0.852127910       7.17877769    
 H   -1.60640490       1.16854656       6.70737457    
 H  -0.422136366      0.204430699       6.58735657    
 O    5.51980543      0.905544937       5.40113020    
 H    4.63936234      0.909951150       5.81018686    
 H    5.86612988       1.80164385       5.48715401    
 O    8.77375317       3.04297543       7.14494610    
 H    9.68317795       3.21535850       6.91657591    
 H    8.73253727       2.12085080       7.45488167    
 O    4.29650164     -0.957250357       3.72995734    
 H    4.82523012     -0.246658564       4.11987209    
 H    4.48207664      -1.72861218       4.27654505    
 O    2.50883818      -1.91986430       6.89808655    
 H    2.62610984      -1.99840236       7.85600948    
 H    3.27193356      -2.34536481       6.48910141    
 O    1.77150869       2.38142347       4.72501993    
 H    1.73639834       1.68610513       4.05788565    
 H    2.52321196       2.96315670       4.52538490    
 O    7.21064472       3.71683860       9.46386337    
 H    6.35983086       4.00258541       9.10395908    
 H    7.80740976       3.64167833       8.70923138    
 O    3.20516539       2.05215883       8.97359276    
 H    2.27693796       2.18895626       9.19523430    
 H    3.19364786       1.62332487       8.10085773    
          69
 Energy    -248.01925147470058     
  O     14.36258692      9.86742954    -10.77737312
  H     14.23477330     10.45926391    -11.52865069
  H     17.95605187      5.40523346    -11.30025381
  O     13.72391021     10.73853731    -16.60472010
  H     13.52716952      9.40839733    -10.59734873
  H     12.01220779      7.79563826    -11.02641120
  O     16.97628973     10.66243266    -13.32281782
  H     13.27798758     10.14399142    -15.98898541
  H     12.77382683      7.63069976     -9.67536072
  O     13.17603863      5.01492785    -12.87878004
  H     13.73308796     11.60572203    -16.17970374
  H     18.55179274      7.55764732    -14.89454192
  O     16.81853251     12.49951983    -15.46642999
  H     17.33700055     10.46113710    -12.44802976
  H     19.96974850      6.94124521    -14.90638970
  O     15.57647862      7.63071384    -12.09774259
  H     16.02440346     10.79576223    -13.22445158
  H     15.16060457     13.04013741    -15.25720949
  O     14.18331663     11.13090164    -13.17545137
  H     13.72145351      4.96558045    -12.08161950
  H     14.01649865     14.08323328    -15.19897429
  O     18.32930719      7.24886274    -11.81041830
  H     13.75733142      4.81177578    -13.62045716
  H     12.29980765      8.51457675    -13.89938197
  O     17.94816561      9.82876875    -10.84952344
  H     16.79153505     11.87010550    -16.19738518
  H     13.62646717      8.46813189    -14.67831212
  O     17.47245986      4.51085571    -14.10700021
  H     17.05708823     11.98275665    -14.68435680
  H     16.36743078     10.42516847    -18.32969879
  O     14.99113661      4.68326497    -15.07238699
  H     15.31264263      7.57976701    -13.02502492
  H     15.36859437     10.45776857    -17.14943193
  O     17.55306750      4.52806237    -11.33502106
  H     15.18943868      8.42457250    -11.71122028
  H     10.65484367      6.87155631    -12.87822469
  O     12.26755239      8.24975436    -10.21304857
  H     13.68515174     10.42304718    -13.61072954
  H     12.12109510      6.38571243    -12.83697748
  O     19.09950699      6.84405067    -14.52750647
  H     14.10303670     11.91540631    -13.72967563
  H     14.15400868      6.76540599     -7.54185776
  O     14.20181890     13.15153145    -15.12418692
  H     17.37549277      7.38525794    -11.92777843
  H     14.92325312      7.69929568     -8.49535009
  O     12.87769286      9.04591009    -14.45877044
  H     18.69707480      7.11263548    -12.69169551
  H     15.14864233      6.13302845    -11.23708812
  O     16.31315898     10.39378922    -17.37834212
  H     17.40971235      9.66275741    -10.07030716
  H     14.68394392      5.71441075     -9.83780297
  O     11.55269642      7.17342736    -12.76287807
  H     18.28221975      8.95835628    -11.11195563
  H     15.03663923      6.50245741    -15.02067851
  O     14.28564063      6.96970281     -8.46517910
  H     18.08255671      5.22497059    -14.32086724
  H     15.88188458      7.82943008    -15.10466407
  O     14.90213524      5.35808829    -10.70584721
  H     17.52025523      4.39043111    -13.14681266
  H     15.99754498      9.97104790     -8.05464046
  O     15.03697090      7.44975201    -14.83237492
  H     15.89356269      4.55455357    -14.72477773
  H     15.38149952      9.59665618     -9.42367065
  O     15.94807059      9.26928047     -8.70014101
  H     14.86963049      4.04426360    -15.76875175
  H     17.11970084      9.31393109    -16.13106609
  O     17.39788542      8.83242824    -15.34154409
  H     16.65032183      4.64427823    -11.01208660
  H     17.30752276      9.44175693    -14.59191627
          69
 Energy    -248.01891732020687     
  O     -3.51005848      0.23845572      1.19228501
  H     -3.15800175     -0.20434664      0.40679414
  H     -4.62530839     -1.60293495      3.62139414
  O     -0.80237390      2.91702461      1.49062584
  H     -3.60719627      1.17485667      0.98237507
  H      2.27784123     -0.34964916      1.72254233
  O      0.62378864     -0.16455337      4.75068832
  H     -1.71413215      3.14484553      1.27483972
  H      3.18640796      0.31175976      2.77989776
  O      1.25338526     -3.24410179     -0.13701609
  H     -0.85754857      2.09070087      1.99311488
  H     -0.46652077     -3.58655120     -0.24063974
  O     -2.39707467     -1.11723427     -0.99886915
  H     -0.11911418      0.11859760      4.19893599
  H     -1.64546823     -4.54857132     -0.51602487
  O     -3.48794011      0.57911737     -2.92395557
  H      0.68601589     -1.11972454      4.62998647
  H     -2.03104949      0.33482174      2.34239872
  O     -2.50780176      2.96970766     -1.88105263
  H      1.71517894     -2.71611608     -0.79992986
  H     -0.53638262     -0.03371798      2.19273288
  O      0.24510120      2.65670782     -1.11050551
  H      1.83941457     -3.34435663      0.63022847
  H     -2.42697194     -2.72877744      2.79215716
  O      2.43092335     -1.43662679     -2.02495536
  H     -2.19684128     -2.02679064     -0.74959172
  H     -1.57443952     -3.36593485      1.67569552
  O      0.03392622     -0.02635037     -1.59676604
  H     -1.55141315     -0.71706587     -1.25780587
  H      2.18187785      2.71462828      2.78382307
  O      0.62202872     -0.71036240      1.03937902
  H     -3.85715573      0.12598316     -3.67776144
  H      0.98934915      3.28229487      1.97001899
  O     -4.03196113     -1.86057728      2.91995858
  H     -3.21689170     -0.11286596     -2.30198505
  H      2.01834894     -3.08524241      2.91194018
  O      3.19691537     -0.29054394      2.02744367
  H     -2.82160720      2.17788550     -2.34170789
  H      3.04863108     -2.18686346      2.20067798
  O     -1.43590184     -3.66846688     -0.21287728
  H     -1.54566155      2.92186869     -1.84507099
  H     -0.17861521     -3.02641402      3.62327514
  O     -1.16070579      0.47807959      2.73182969
  H      1.17551550      2.90481731     -1.05135671
  H      0.53645952     -3.62048451      4.85707473
  O     -1.57122739     -3.14166781      2.61190887
  H     -0.11372045      2.74381918     -0.21480504
  H      3.13137947      1.74903135      4.94022471
  O      1.95304108      3.27954911      2.03627400
  H      2.95449787     -0.77597062     -1.53433576
  H      1.93716346      0.91201651      4.42501781
  O      2.65288884     -3.06800470      2.18328595
  H      2.93927923     -1.67249376     -2.79606470
  H      3.51916914      1.37821100     -0.63268581
  O      0.62472047     -2.96292926      4.17156405
  H      0.16447226      0.93167384     -1.55159504
  H      3.71037829      0.18880494      0.33000312
  O      2.66983659      1.49126491      4.14695013
  H      0.84637210     -0.44602706     -1.90474061
  H     -4.19385349      3.68060406      0.69950930
  O      3.72777242      0.43713834     -0.60503054
  H      0.77007998     -1.64978968      0.88184148
  H     -3.20984646      3.04840893     -0.31437755
  O     -3.50487993      3.02744808      0.61480093
  H      0.42289044     -0.33593775      0.17188737
  H      2.65705151      3.22709621      0.45714024
  O      2.94296852      3.17197823     -0.47370956
  H     -3.99257389     -1.10421209      2.31398680
  H      3.48813379      3.93657839     -0.63878263
          69
 Energy    -248.01888166400335     
  O     14.58548987     12.99162339    -10.02415162
  H     14.01171653     12.27709467     -9.71968449
  H     12.38667872     11.12968564    -14.34858046
  O     13.36083504     13.48024278    -16.34485017
  H     15.46497906     12.79777500     -9.67049889
  H     11.76095537     14.83547972    -13.85353614
  O     15.56295272      8.81885826    -12.32306736
  H     13.07745479     12.55671344    -16.28105868
  H     12.00749386     13.98029859    -15.09959681
  O     15.63475112     15.32538247    -11.47003882
  H     14.15810016     13.45251159    -16.88823559
  H     18.56529273     13.07585423    -12.88672249
  O     12.92257082     10.72050741    -15.99630266
  H     15.52750206      7.99211292    -12.81969686
  H     19.80391072     12.62789761    -13.70177543
  O     15.20552229      6.56320925    -13.94466469
  H     16.05707216      9.45423033    -12.85981315
  H     12.55606012     10.32028845     -8.71628058
  O     14.95151875      7.73557749    -16.37433090
  H     15.29731229     15.29776842    -12.37423210
  H     12.99119723     10.12912820    -10.18587107
  O     14.70703732     12.26212800    -12.69813422
  H     15.08377106     14.72777179    -10.95066448
  H     16.23663256     13.27124109    -18.43459602
  O     12.85752604      9.39332980    -11.80374951
  H     12.52044843      9.86369866    -16.18496787
  H     16.44425354     13.41526567    -16.90648620
  O     15.65925051     10.46133245    -16.34515041
  H     13.87964707     10.60351243    -16.08761957
  H     12.12802959      7.78171258    -15.34125624
  O     17.24399240     14.11959421    -15.55875634
  H     15.63735393      5.71638030    -14.01533850
  H     11.36876270      7.60208168    -16.67843000
  O     12.16352696     11.47312841    -13.47027719
  H     15.19316995      6.95055376    -14.83863666
  H     15.04663694      9.92205318     -9.44558961
  O     11.47516571     14.03529880    -14.29233709
  H     15.30040049      8.63152628    -16.47397839
  H     15.92102149      9.32800474    -10.56675609
  O     18.85167099     12.65703876    -13.72036270
  H     13.99834666      7.80114286    -16.50978814
  H     16.83650419     11.21573593     -9.41494016
  O     13.21915887     10.57529239     -9.35278376
  H     14.70627505     12.49475042    -11.76073347
  H     17.59976985     12.09984391     -8.40015049
  O     15.88927777     12.99677371    -17.59037821
  H     13.81138674     11.99234726    -12.93964765
  H     17.54277422     11.35403499    -13.79768621
  O     12.08824044      8.07495712    -16.26942233
  H     12.51767334     10.10475548    -12.36702964
  H     16.03685270     11.38401313    -13.41625996
  O     15.96063229      9.73386329     -9.69053466
  H     13.79208085      9.25744934    -12.02317234
  H     13.33311637      6.90777687    -13.69170328
  O     17.16213836     12.11790895     -9.24728466
  H     16.09531201     10.58069711    -15.48878387
  H     12.42375293      7.92190237    -12.97162104
  O     16.72898573     10.83690575    -13.82250010
  H     15.80975471     11.26383725    -16.85919220
  H     17.23084744     14.38864647    -11.46196699
  O     12.44300117      7.28246762    -13.69369527
  H     17.86170629     13.66204684    -14.97666627
  H     17.77591716     13.16572682    -10.68909661
  O     17.94344245     13.73489618    -11.44920939
  H     16.51730546     14.42567090    -14.99946075
  H     14.30443481     14.37764501    -14.90234320
  O     14.85109030     14.60098751    -14.14037504
  H     11.77127841     12.34486909    -13.61317629
  H     14.85898332     13.79273336    -13.60370196
          69
 Energy    -248.01884777886005     
  O     13.42886466     12.13264165    -14.25096501
  H     14.24049192     12.46880839    -13.85103059
  H     12.83938088      7.31805774    -16.03087553
  O     14.84727946      6.23602117    -14.12192993
  H     13.69194554     11.72906995    -15.08781335
  H     19.95024182      5.76617311    -15.41106902
  O     18.26764290      8.33398836    -11.71413485
  H     14.31857979      6.17710650    -14.92576986
  H     19.58426238      7.11018979    -14.72978369
  O     19.06181191     10.45687822    -15.97495315
  H     14.24754185      6.28047001    -13.35913232
  H     16.02811844     11.58692235    -16.13050716
  O     12.25402254      8.82323748    -15.34731398
  H     18.23987697      8.13523415    -10.76978491
  H     16.59744578     12.35979623    -14.92219640
  O     15.12056468      7.90334854     -8.94822928
  H     17.90510835      7.55887732    -12.16869120
  H     15.34584045      7.95075320    -14.36616314
  O     13.38891489      6.54865282    -11.87767995
  H     19.70332997     10.93161933    -16.49772064
  H     16.42880441      8.59104494    -15.26400559
  O     16.33978776     10.18682769    -12.36224391
  H     18.28938165     11.04214490    -15.88694455
  H     12.46385456     11.01163975    -13.32598867
  O     15.05367214      8.35137754    -17.96315801
  H     12.81381032      9.48069988    -15.77680186
  H     11.13465569     10.62215173    -12.63505289
  O     14.44632432      5.20895268     -9.61543442
  H     12.09557015      9.15792450    -14.45758238
  H     17.44661320      5.85396023     -9.89554690
  O     17.58653977      8.14061970    -16.60371111
  H     14.66416103      8.44020920     -9.60900073
  H     17.20602577      5.30141964    -11.31635228
  O     13.29776780      6.56307148    -16.44219025
  H     14.78196726      7.00515846     -9.05601933
  H     19.47044487      8.66927716    -13.12382240
  O     19.21393456      6.31862191    -15.16310100
  H     13.65276344      6.01211603    -11.11994282
  H     19.66446661      9.35236205    -14.51073204
  O     16.83457553     11.97967542    -15.77738669
  H     13.55505298      7.46601462    -11.62381175
  H     16.48695610      6.01390440    -13.42404122
  O     15.75632200      8.79354954    -14.60008094
  H     16.10858648      9.75190765    -13.19911417
  H     18.00162514      5.96579601    -13.76093801
  O     11.99887917     10.29015075    -12.86584247
  H     17.06918364      9.66490283    -12.00434578
  H     16.85559989      7.75991903     -8.98394802
  O     17.05294805      5.11790293    -10.37948026
  H     15.95570050      8.19781686    -17.65269127
  H     18.19493146      7.71132995     -8.20947645
  O     19.96036465      8.62056338    -13.95575952
  H     14.51414015      7.66419080    -17.55348985
  H     14.78867124      9.59714755    -11.53226031
  O     17.37231424      6.01154391    -13.03184483
  H     14.19926089      4.42532391     -9.13258391
  H     13.24544415      9.62002043    -11.66981673
  O     17.80927377      7.57847688     -9.07081471
  H     15.36877075      5.08402369     -9.90218959
  H     16.15582326     11.87658132    -12.79271463
  O     13.97238654      9.23204801    -11.16602108
  H     18.09233419      7.40519215    -16.23540526
  H     16.28315508     13.39983658    -12.54180466
  O     15.98726069     12.75445588    -13.17808450
  H     18.14670914      8.92500696    -16.52621379
  H     14.56352576      9.91813854    -17.10647734
  O     14.43228879     10.47101313    -16.32267378
  H     12.62480274      6.02645555    -16.85332854
  H     14.82294517      9.94897843    -15.60141013
          69
 Energy    -248.01872023582476     
  O     10.49898128     10.06094840    -12.61912490
  H     11.24679400     10.56174046    -12.97057422
  H     14.88573491     13.36364709    -15.61408305
  O     14.21988743      6.92468006    -15.02600607
  H     10.20526015      9.48449852    -13.33532823
  H     16.16193386      9.41075837    -14.14938587
  O     17.15746151     10.64128074    -10.40482502
  H     13.56001292      7.59168719    -15.26274464
  H     15.26069555      8.12853776    -14.15731499
  O     12.47186090      8.99087727    -15.50648978
  H     13.95752310      6.52937004    -14.18204212
  H     10.23256224      8.57776885     -9.82300135
  O     13.63105704      6.01105538    -12.49247882
  H     16.94535711      9.73757876    -10.10965539
  H     10.73033700      9.05431444    -11.20844384
  O     14.69927022     10.35792272    -11.77033511
  H     17.44573468     11.12089288     -9.63261392
  H     16.88172010      7.58817687    -12.67053934
  O     16.83752902      9.18119133    -17.08527797
  H     12.62920157      9.69790491    -14.86455705
  H     18.35740228      7.22106992    -12.40732311
  O     15.98430239      4.64128963    -12.08844167
  H     11.58021667      8.66104353    -15.33788992
  H     11.77266785      6.12138595    -12.61529155
  O     16.84564356     10.94132400    -14.95308285
  H     14.37371690      5.41230690    -12.33198819
  H     10.77487107      6.97211552    -11.81051829
  O     16.44365998      6.36978636    -16.51073164
  H     13.68736752      6.71363206    -11.82947717
  H     19.09378266      9.72841304    -12.93141646
  O     18.85462828      7.62874046    -15.70771543
  H     15.07481884      9.74040592    -12.42028815
  H     18.16952143     10.59971393    -12.04680934
  O     14.63986393     12.46067832    -15.43119688
  H     15.45020627     10.67697735    -11.25757354
  H     19.55031851      7.84772166    -14.12782373
  O     15.81608445      8.69214198    -13.60545702
  H     15.96928778      9.56540885    -17.28585015
  H     20.78600312      7.79665167    -13.19774192
  O     10.87060325      8.39297689    -10.50678687
  H     16.68242073      8.23288983    -16.99715759
  H     16.83313661      7.60574971    -10.51601311
  O     17.45349407      6.99272103    -12.16204623
  H     16.58563271      5.40249933    -12.12122412
  H     15.47021429      7.95317761     -9.88024550
  O     10.85676794      6.43000394    -12.60496003
  H     16.36809622      4.02831872    -11.46613968
  H     13.60263831      9.76414607    -16.83954603
  O     18.60682083     10.56062440    -12.90628439
  H     17.56566228     10.87762990    -14.30718935
  H     14.33698654     11.10871161    -16.81175290
  O     19.85245230      7.98912834    -13.21224812
  H     17.02767239     10.38174768    -15.72166143
  H     13.94903353      8.91150768    -10.94352327
  O     16.42122970      8.09046694     -9.78745644
  H     15.62935317      6.47933240    -15.99230050
  H     12.71447021      8.14929881    -10.41205110
  O     14.30070934     10.26578153    -17.27942932
  H     16.28662318      5.64513124    -17.11088634
  H     13.37525623     11.69711966    -14.29409628
  O     13.66202478      8.06327511    -10.57614677
  H     18.55997634      8.37525757    -16.23960559
  H     13.47031259     10.92696988    -12.95748067
  O     12.88289004     11.11225449    -13.70455842
  H     18.14963546      6.97777303    -15.82200865
  H     10.28527413      7.39454477    -13.93781042
  O     10.00239251      8.04262518    -14.60846883
  H     15.46040980     11.98589186    -15.20734097
  H      9.19652204      7.70939688    -14.99295839
          69
 Energy    -248.01859667481244     
  O     -1.27393962      2.90997933     -3.85676532
  H     -1.92944610      3.42695010     -3.35478243
  H     -0.62715916      1.07796663      2.23043538
  O     -5.25308154      2.78076144     -0.85149861
  H     -1.11781055      3.38631589     -4.66834871
  H     -0.67206855      2.91409349      0.96985483
  O     -3.55740754     -0.20290081      1.37924642
  H     -4.36166584      2.40318538     -0.77633458
  H     -1.18345315      4.11843588      0.09496293
  O      0.04355174     -0.71944582     -1.03138538
  H     -5.80398075      2.17332804     -0.33367955
  H      2.03152844     -0.08613137      2.72202323
  O     -2.85212068      0.66012194     -3.33672865
  H     -2.69761628     -0.52382172      1.68436022
  H      2.15286770     -1.24884778      1.72689909
  O     -3.92162137     -1.98161455     -0.86271000
  H     -3.35102386      0.40896125      0.65098128
  H      2.52415315      1.78249193      1.58196505
  O     -1.91312074     -1.89175236     -2.64539505
  H     -0.58808987     -1.16482948     -1.60858598
  H      3.07655402      2.31514158      2.92514301
  O      0.52679748      1.90046578     -1.87297428
  H      0.17235439      0.18016787     -1.36461405
  H     -4.69103600      0.86405248     -3.30234553
  O     -0.82466141     -0.66477462      1.67405672
  H     -2.22198990      1.30737476     -3.67684814
  H     -5.63656439      1.71305665     -2.43506232
  O      2.56254530     -1.39252921     -0.16021872
  H     -2.43067545     -0.20603825     -3.27694547
  H     -2.28477749      2.33210105      2.90656751
  O     -6.25366775      0.63043134      0.57362099
  H     -4.82432419     -1.80067608     -1.15604972
  H     -3.49804278      1.47035405      2.54148779
  O     -0.45050349      1.99366773      2.49182954
  H     -3.81857365     -1.52162406     -0.02202134
  H     -7.28536166     -1.53210880     -2.03365146
  O     -0.78638795      3.23997454      0.06615355
  H     -2.64164403     -1.97082062     -2.00061414
  H     -6.23418551     -0.41492816     -2.24536875
  O      1.76139178     -1.00079478      2.57409957
  H     -1.88377263     -2.71110384     -3.13149127
  H     -2.13634411      2.10780329     -0.46890555
  O      2.34701433      1.83910529      2.53757851
  H      0.14895355      2.42655322     -1.14851950
  H     -2.77622540      1.17501053     -1.56364564
  O     -5.62309810      0.99501288     -3.07936126
  H      0.08458933      2.21804300     -2.66718896
  H     -2.12369168      6.53477366      0.19314985
  O     -3.24822041      2.35029754      2.84101500
  H     -0.00726509     -0.91610921      2.12832986
  H     -2.96343490      5.26347337      0.48373259
  O     -6.49056389     -1.15513471     -1.66651547
  H     -0.61735919     -0.67779980      0.73015083
  H     -2.81696776      4.85244413     -1.68131018
  O     -2.83861400      1.46996128     -0.64696283
  H      2.94295605     -2.12186567     -0.64258664
  H     -3.99443553      3.95742834     -2.09023552
  O     -2.22993536      5.62073466     -0.05283506
  H      1.66447984     -1.25984264     -0.50916366
  H     -3.92418211      3.74233128      1.89585387
  O     -3.14879836      4.29631416     -2.39882404
  H     -5.48604413      0.28619842      1.04432631
  H     -4.76882030      3.97243475      0.62156370
  O     -4.21344145      4.42156341      1.26803061
  H     -6.46060510     -0.03171031     -0.09803993
  H      2.86929175      0.49219774     -0.19192602
  O      2.77220329      1.45160858     -0.13413465
  H      0.50049469      2.04603260      2.64946720
  H      2.14375395      1.69456134     -0.82434466
          69
 Energy    -248.01858201631677     
  O     11.54160278      9.21547918    -16.08774319
  H     11.19497821      8.93229112    -15.23317630
  H     15.59776112     11.78190841    -16.23484740
  O     16.08313571      7.54134759    -12.66654936
  H     11.70615889     10.16486003    -16.03128827
  H     15.23868839      8.63056560    -13.83046432
  O     16.75536033     11.19519350    -14.75524577
  H     16.62339115      8.10083688    -12.09499818
  H     14.52930914      8.83273654    -15.21290818
  O     14.41979203      5.52834489    -15.72027312
  H     15.29890092      7.28369148    -12.16376200
  H      9.78678199      7.68224494    -13.56581083
  O     13.91655257     10.00063682     -9.49404096
  H     16.50380432     11.83358656    -14.06982455
  H     11.28137795      7.30331080    -13.68822475
  O     13.71823002      7.05041743    -11.32902661
  H     16.10764836     10.47469081    -14.68358950
  H     17.49826671      8.04580058     -9.71152890
  O     13.25735086     11.28957003    -13.41288539
  H     14.50968369      4.66071281    -16.10513450
  H     18.03924543      6.83167614     -8.94050586
  O     17.65816994      9.01062229    -16.42467375
  H     15.32197700      5.85126885    -15.54131686
  H     13.15945713      5.84009068    -14.32663974
  O     14.57951788      7.33129859     -8.66603170
  H     13.21947598      9.87102212    -10.14969648
  H     12.97142326      6.21925356    -12.83355596
  O     16.83691769      6.59776614    -15.16890069
  H     14.10152379      9.13040612     -9.12112463
  H     15.86472616     12.26927307    -11.81585645
  O     18.85383449      9.83282455    -13.44090699
  H     13.94894087      7.00123211    -10.39375380
  H     14.75821226     12.29226024    -12.88195163
  O     14.90829179     11.76580743    -16.90838900
  H     13.23857836      7.88289491    -11.45321490
  H     17.17173069     10.01284207    -10.76891783
  O     14.81648069      9.27922232    -14.40833057
  H     12.82512044     11.65638021    -14.19294277
  H     18.18910307      9.45155502    -11.81612006
  O     10.66368086      8.05416025    -13.61665467
  H     13.79461120     10.54800996    -13.73878020
  H     16.37140580     11.95874693     -9.40916305
  O     17.28055371      7.40501953     -9.01525615
  H     17.52291504      9.83354839    -15.94117351
  H     15.31721226     10.94308183     -9.90787885
  O     12.49832559      6.06551525    -13.66252664
  H     17.09094326      9.09351624    -17.20246315
  H     14.96430919      8.88560570    -17.86536003
  O     15.65806963     12.59648458    -12.69932298
  H     14.36673646      6.92477083     -7.83013498
  H     15.49885067      9.19159822    -19.28616975
  O     17.64473381      9.21840978    -11.05033534
  H     15.54940005      7.32819919     -8.74346823
  H     11.56377815      8.97914490    -12.24845884
  O     16.14092808     11.40267152    -10.14943128
  H     17.16129293      7.38720763    -15.62205538
  H     12.55128685     10.15575364    -12.21569521
  O     15.60967403      9.41634532    -18.36629518
  H     16.71454498      6.84358671    -14.24099902
  H     13.25087516     11.91991822    -16.34765661
  O     12.22404531      9.40983913    -11.69112313
  H     19.12502908      9.23594469    -14.13848488
  H     11.93492331     12.73032015    -16.37010980
  O     12.34942507     11.96464708    -15.98152068
  H     18.20473079     10.42188661    -13.85116161
  H     13.94459061      7.13194611    -16.51254695
  O     13.88205840      8.05278841    -16.79215067
  H     15.14820582     11.04969294    -17.50964246
  H     12.98907104      8.38491974    -16.60816202
          69
 Energy    -248.01852966460632     
  O      0.05262585     -8.22685081      0.24840196
  H      0.21068782     -7.37022928      0.68819223
  H      0.53134684     -5.03707690      0.95941047
  O      6.76363033     -4.50725898     -1.13725995
  H     -0.87929848     -8.40863347      0.32868234
  H      1.98125011     -4.29361985      3.48830181
  O      7.25386720     -5.04878578      1.47947034
  H      6.24252571     -3.74604725     -1.42481083
  H      3.40890577     -4.72148177      3.14660511
  O      3.80809498     -7.54093551      2.73765037
  H      6.56672412     -5.21841457     -1.75744055
  H      2.79853459     -6.60053020     -2.86559570
  O      2.26113323     -9.49778054      1.57437878
  H      8.14204428     -4.76219552      1.67740656
  H      4.25394236     -6.18393314     -3.16953184
  O      1.10637570     -2.59768414      3.03572719
  H      7.10099317     -4.84976147      0.53832424
  H      3.43906640    -10.90736709     -1.44140182
  O      6.06831596     -6.70511330     -2.84495801
  H      3.20812275     -8.26482146      2.49864590
  H      3.07179568     -9.41113851     -1.31243348
  O      0.91577216     -3.30604739      0.39343190
  H      3.29971380     -6.84179554      3.16398898
  H      6.78595741     -6.87100182      1.73820861
  O      2.85233359     -3.26077580     -3.61296594
  H      2.78010162     -9.83453758      0.83538872
  H      5.64303057     -7.76707889      2.26075187
  O      1.35373737     -1.61656566     -1.73807231
  H      1.44979555     -9.14923236      1.18377323
  H      5.28752205     -9.18342399     -0.81057793
  O      4.84442666     -3.87494607      2.37894654
  H      0.28636027     -2.26263028      3.38916261
  H      6.27550756     -8.38443827      0.11158980
  O      0.61128162     -5.88227540      1.42030680
  H      0.94457292     -2.79874554      2.09734801
  H      3.62122179     -0.79766023      0.55210397
  O      2.53839057     -5.07441003      3.38581262
  H      6.11271604     -7.40339736     -2.16934376
  H      3.83754540      0.44485472     -0.33610002
  O      3.33401799     -5.91457362     -3.28157893
  H      6.65740627     -6.96857418     -3.54818745
  H      1.27576008     -8.01570727     -1.15493211
  O      3.63782276    -10.11336949     -0.95066406
  H      0.80062521     -2.69007559     -0.34042562
  H      2.69148549     -7.42399234     -1.00852744
  O      6.47555205     -7.78502687      1.77010165
  H      1.83131661     -3.61850772      0.30172178
  H      4.27961820     -2.69897915     -2.57454973
  O      5.97400924     -8.50448825     -0.80367808
  H      2.96226516     -4.21993033     -3.48713404
  H      4.58928653     -1.74566564     -1.38474129
  O      3.66039773     -0.49184651     -0.37085496
  H      2.69876791     -3.12756960     -4.54501660
  H      2.72116159     -1.64253355      2.58260753
  O      2.10854071     -7.89445417     -1.62809067
  H      1.76748203     -2.18514502     -2.39920007
  H      4.16775765     -2.11148501      2.39473911
  O      4.90992991     -2.52309915     -1.86230409
  H      2.07975679     -1.15466773     -1.29963387
  H      3.65844967     -5.03948409     -0.09534877
  O      3.57137178     -1.37231674      2.21567514
  H      4.37259881     -3.91191752      1.53085632
  H      3.99496936     -3.62794005     -0.68598621
  O      3.49525342     -4.08946920     -0.00407585
  H      5.71277396     -4.25886949      2.21520557
  H      3.82088341     -6.97098366      1.00858875
  O      3.92231107     -6.75215437      0.07228547
  H      1.26843891     -5.73602485      2.11078692
  H      4.71611811     -7.21050517     -0.22445353
          69
 Energy    -248.01848187794945     
  O     15.49748810     11.93153437    -14.03114724
  H     15.61509971     11.36669364    -14.80808647
  H     18.67217041      5.52901611    -12.10970706
  O     14.21567725      6.18445094    -13.88743311
  H     16.23966677     11.74643890    -13.44556180
  H     20.02285132      9.44756908    -13.10590085
  O     16.42938737      6.94459681     -9.88511771
  H     14.20986710      6.24878951    -14.85336216
  H     18.60927368      9.85763232    -12.65332386
  O     13.10562543      9.22225028    -16.99278861
  H     13.44135498      6.65010676    -13.54202340
  H     15.23660165      7.71786242    -13.73224832
  O     12.36755884      7.94525087     -9.02203380
  H     16.14183652      6.33530049    -10.58216923
  H     15.59250416      9.07214743    -14.38919362
  O     12.17201851      7.63497403    -12.67321244
  H     15.83886900      6.80573967     -9.13495071
  H     13.87268350     11.81083168    -13.39209295
  O     15.90534451      9.37501359    -11.06563013
  H     12.60824916      9.35523840    -16.16519353
  H     12.59352778     12.59318168    -13.01779221
  O     17.07026524      7.72470792    -16.90427261
  H     12.52815632      9.48094079    -17.70534579
  H     14.32000183      4.65009531    -10.68285746
  O     11.27493749      5.87587884    -10.69035300
  H     12.57252821      8.66327267     -9.63570268
  H     13.91868131      5.12050307     -9.26865321
  O     18.44212682      6.97846052    -14.70258404
  H     11.85158270      7.30318200     -9.52531366
  H     11.84857231      8.86527159    -14.02799114
  O     14.40359145      6.70863659    -16.57047606
  H     12.56664249      8.32316277    -12.11866956
  H     12.18999374     10.36667769    -14.13291842
  O     18.36500727      4.86770163    -12.75635599
  H     11.74964033      7.00814018    -12.07295372
  H     18.19284040      6.95774437    -10.49720776
  O     19.17007287      9.09556846    -12.85728492
  H     15.81214868      9.08428606    -11.99305205
  H     19.06330780      7.68194903    -11.55619943
  O     15.66041226      8.56921071    -13.57143944
  H     16.12146128      8.58885753    -10.54922991
  H     16.56391258      4.89149216    -12.20458189
  O     12.96813124     11.71650562    -13.04524458
  H     17.55630309      7.42539004    -16.11503637
  H     15.16597709      5.43480771    -12.60919774
  O     13.59867350      4.63618831    -10.03931866
  H     17.62904460      7.53940868    -17.65413880
  H     13.69367608      7.06957440     -8.30173988
  O     11.86945970      9.61186221    -14.64122267
  H     12.08046023      5.36151684    -10.50048934
  H     14.34206638      6.44142685     -7.04493342
  O     18.99234613      6.87302458    -11.03504858
  H     10.53822837      5.27836630    -10.59778948
  H     13.01240957     10.46567687    -11.65067293
  O     15.69093765      5.11242320    -11.86026059
  H     18.56247637      7.71670374    -14.09317288
  H     14.12626068      9.63367500    -10.97731224
  O     14.41862248      6.49627657     -7.99336239
  H     18.37505746      6.18989383    -14.15251470
  H     16.94022706     10.65119513    -11.59884082
  O     13.16526463      9.72051935    -11.05721082
  H     13.88280118      7.49238151    -16.78577870
  H     17.76728938     11.95182647    -11.45376937
  O     17.54023925     11.25907762    -12.06914764
  H     15.32201641      6.95401736    -16.73862895
  H     16.22514563      9.31430953    -16.40224037
  O     15.63742070      9.99456445    -16.04810268
  H     18.96665707      4.12985217    -12.70289067
  H     14.76487036      9.81980169    -16.42655016
          69
 Energy    -248.01843683019706     
  O     10.50324015     10.92604155     -9.32236225
  H      9.75678579     11.01578799     -8.73542185
  H     15.40512413     14.43651714    -13.74223331
  O     13.15437706     10.48277493    -17.03483758
  H     11.29986203     11.07589802     -8.78492588
  H     16.73261506      8.85904236    -12.57575791
  O     11.31054234      8.60937284    -10.86554399
  H     13.35213931     11.43183270    -16.93494333
  H     16.83619639     10.33228829    -12.97275891
  O     13.67373533      9.38713113    -14.52341532
  H     13.32724386     10.26055942    -17.94560426
  H     15.12375639      6.83744243    -13.13072907
  O     13.50361681     13.14115865    -16.63906343
  H     12.24501455      8.54621923    -10.62677959
  H     14.64547824      8.26221356    -13.48183666
  O     11.23104516      9.90511339    -13.29211144
  H     10.94501367      9.29823837    -10.29724963
  H     14.73646020     15.41949905    -11.47383963
  O     14.10044762      8.77246849    -10.41981849
  H     12.83663278      9.55529389    -14.06588900
  H     13.24682702     15.10607518    -11.68931617
  O     13.94464928     11.33145927    -11.50019696
  H     13.54089340      9.63426636    -15.44781418
  H     17.85911618     10.28767952    -10.98208956
  O     12.83522788     11.38710084     -7.96621653
  H     12.62881834     13.48855044    -16.42376967
  H     19.00743224     10.46061195     -9.95741674
  O     17.12005408     13.35390904    -10.61045635
  H     14.08668792     13.46960544    -15.94229015
  H     11.84170417     13.64442118    -12.62182003
  O     11.37231876     12.19490719    -11.69132304
  H     11.17491818      9.28027666    -12.55506592
  H     11.73278002     14.31647238    -14.00349218
  O     14.77080038     13.93056106    -14.26535643
  H     11.19863722     10.77559771    -12.87258442
  H     14.33987282     12.43000098    -10.20486688
  O     17.28675230      9.63941213    -12.46756352
  H     14.58165336      8.34085688    -11.13727671
  H     14.24616771     13.91931073     -9.82684150
  O     15.16770271      7.74686756    -12.84480823
  H     14.73396982      9.17750962     -9.81089726
  H     15.31683873     12.23927483    -14.02966925
  O     13.90782695     15.26460156    -11.00424643
  H     14.56163949     11.37164518    -12.24058290
  H     14.89458817     10.73301216    -14.15496310
  O     18.10268809     10.70300458    -10.13480444
  H     13.94399924     10.42824941    -11.15787370
  H     10.73419302     12.88205975    -15.64608913
  O     12.22607496     14.34157189    -13.17420162
  H     13.30081871     12.13772853     -8.36185987
  H     10.17246154     14.26073419    -16.06364898
  O     14.51496999     13.05517017     -9.48131760
  H     13.50947937     10.71890551     -7.82634746
  H     16.56012481     10.42354624     -9.12166034
  O     15.54130949     11.33708359    -13.76526915
  H     16.30117411     13.31053508    -10.10090860
  H     15.35857556     11.31905046     -8.82355950
  O     10.91442847     13.83912838    -15.63804620
  H     17.55370867     12.50278795    -10.48454799
  H     16.76890511     14.55549077    -11.83050327
  O     15.66426581     10.40749331     -8.75689843
  H     10.93397753     11.87694896    -10.89335425
  H     17.08836379     15.92971971    -12.46416784
  O     16.43199410     15.23868954    -12.43714306
  H     12.29696401     11.90281861    -11.62519266
  H     11.38564992     10.81959230    -16.29131812
  O     10.64569212     11.12853726    -15.75519146
  H     13.90190346     14.06431042    -13.85895877
  H     10.68584499     10.61703727    -14.93622609
          69
 Energy    -248.01835297102548     
  O     15.23081510     11.54647016    -15.10813564
  H     15.85292022     11.43669422    -14.37607589
  H     14.21676110      6.27518310     -7.79703332
  O     16.45399557      7.10495314    -12.07440552
  H     14.42879636     11.90348317    -14.70664543
  H     13.33164713     11.92036383    -10.38206485
  O     11.87667342      7.08653096    -12.31559819
  H     15.73274552      6.51276978    -11.82278698
  H     14.58848664     12.71288805    -10.82410981
  O     12.69291587     10.71903411     -9.06486430
  H     16.54235436      7.07506113    -13.03765892
  H     14.83264655      9.30026844    -10.61574409
  O     18.43878721      9.07622707    -11.71601364
  H     12.07210448      7.94965232    -12.71151834
  H     15.37748557      8.49934078    -11.81418454
  O     13.38174936      6.49329985    -16.31971313
  H     11.64994697      6.49645734    -13.04453010
  H     13.12550622      4.43374229    -13.89926000
  O     16.67513353      7.29368091    -14.83940564
  H     12.31906147      9.86475518     -9.34611471
  H     14.12677976      4.55276693    -12.73720167
  O     12.72669493      9.50003920    -13.26975225
  H     12.08882247     11.07932162     -8.42003610
  H     18.30502661      8.12703979    -14.61239623
  O     17.39565613     10.45401333     -9.39686613
  H     18.89720971      8.94421368    -12.55866410
  H     19.45573815      8.98519902    -15.15760309
  O     15.63913894      4.83128785    -15.66515458
  H     17.82305648      8.33201623    -11.65459107
  H     12.45608715      7.60545614     -9.26444870
  O     15.05739566      9.21844200     -8.74501459
  H     14.15267155      5.91476160    -16.27397528
  H     11.68994145      7.82442812    -10.57935264
  O     14.05516266      6.68368213     -8.64351193
  H     13.71253323      7.38518939    -16.14893426
  H     13.38345852      6.24938247    -11.66019276
  O     13.66744101     12.53370063    -11.04698480
  H     15.94136977      7.89227736    -15.04173960
  H     14.15376161      5.93775678    -10.35587660
  O     14.82949698      9.26138775    -11.57778278
  H     16.43282741      6.42268084    -15.17884251
  H     10.85860259      5.05722965    -15.03078396
  O     14.00317633      4.15512427    -13.60877444
  H     13.43911276      9.44498873    -12.61078807
  H     12.17669793      5.84188181    -15.23258877
  O     19.11418211      8.59658059    -14.35602021
  H     12.60141609     10.43796808    -13.45442584
  H     16.98751503     13.66282685    -10.87150238
  O     11.84352496      8.20608258     -9.70583400
  H     17.17492829     11.33288426     -9.72727339
  H     16.60624818     12.30981137    -11.51717484
  O     14.14585335      5.76829030    -11.30577857
  H     17.87804967     10.00986358    -10.10652096
  H     13.81740574      8.98639259    -14.67768268
  O     11.60938297      5.41551353    -14.56505290
  H     15.11171225      4.53064056    -14.90314909
  H     14.81013522      9.81187667    -15.49764315
  O     16.49171471     12.86111412    -10.72336415
  H     15.99680482      4.05017373    -16.07818648
  H     12.22352723     12.97553401    -13.82342868
  O     14.47880019      8.91073430    -15.37818343
  H     15.91178724      9.66323637     -8.85774603
  H     13.13633893     12.42862678    -12.70122129
  O     12.85219455     12.28751450    -13.62219968
  H     14.35864284      9.87994794     -8.66834452
  H     17.40868726     10.44402904    -12.53326442
  O     16.65015299     11.00933953    -12.72501651
  H     14.50593894      7.54607006     -8.62920469
  H     15.89279285     10.52025756    -12.36879073
          69
 Energy    -248.01819920747187     
  O     12.02854330      9.48647552    -10.28997229
  H     11.57557136      8.91324547     -9.67705198
  H     11.22827658      8.40233242    -16.28165847
  O     14.94103269     11.42522568    -12.87432007
  H     12.06597064     10.36915886     -9.87848219
  H     13.37519810     12.68008879    -16.42962412
  O     15.08784712     14.58068956    -15.07350250
  H     15.54290408     12.17702375    -12.78516149
  H     11.85384285     12.89618813    -16.32452612
  O     15.69229749      7.92731148    -12.55105706
  H     14.98063467     10.87750405    -12.08217431
  H     17.34517937     12.85669210    -16.15650928
  O     11.60247333      9.84747232    -13.04257779
  H     15.67944189     14.26487411    -15.76863912
  H     17.57315470     13.73122395    -17.41100474
  O     10.47330764     11.86379727    -17.08117449
  H     14.20450574     14.29829066    -15.33482452
  H     12.32587431     13.54984846    -11.89596810
  O     14.64095363     11.66103595    -17.30095720
  H     16.41630482      8.29412068    -13.07182105
  H     11.81332530     14.83577113    -11.20729309
  O     15.24448174     11.75292684     -8.88888043
  H     14.94375897      7.82212862    -13.15292695
  H     18.00192524     11.24309401    -14.42294027
  O     12.48010812     12.47695044    -13.30169641
  H     11.63539449      9.66561462    -12.09559309
  H     17.64380018     12.68208386    -13.96129482
  O     15.11615953     10.01748839    -15.19462016
  H     11.83158148     10.78141751    -13.14981978
  H     15.28352031     13.37159039     -9.91091776
  O     12.41131109     11.92934725     -9.21187745
  H      9.81229799     12.15108078    -17.70575468
  H     14.24362867     14.20396440    -10.68258876
  O     11.92735833      7.86864661    -16.70333185
  H     11.10790497     11.31346000    -17.57689862
  H     12.94327194      7.82638496    -15.12665315
  O     12.69805586     13.18513349    -15.95633054
  H     15.41856834     12.22915758    -17.35434319
  H     12.78099003      8.65097011    -13.82663767
  O     16.89679469     13.28749344    -16.90633145
  H     14.82549122     11.02728211    -16.58940891
  H     16.77504713      9.50038083    -14.78154057
  O     12.35117457     14.06015954    -11.06921607
  H     15.85094914     11.53671335     -8.18500044
  H     18.12187046      8.76182271    -14.94729084
  O     18.01595195     12.16673715    -14.69169835
  H     15.21909681     10.98365055     -9.48245611
  H     13.21938658     10.71986478    -18.05753457
  O     15.18946423     14.11991082    -10.51279299
  H     12.48219353     12.76958107    -14.22255670
  H     12.37826581      9.43791121    -17.80301724
  O     13.38991873      8.06968278    -14.30544142
  H     13.36946176     12.13255604    -13.12086158
  H     15.99171730     14.11139828    -13.57629647
  O     17.60536730      9.27418464    -14.32836273
  H     14.50754551      9.29042454    -15.01118092
  H     16.15244199     13.96764505    -12.02336902
  O     12.36679034     10.29929290    -18.23602109
  H     15.08839928     10.58900711    -14.41059310
  H     10.16831431     10.37106948    -15.88356627
  O     16.50405181     13.67571480    -12.87676720
  H     13.33702708     11.94512635     -8.93797941
  H     10.52534104      9.64244971    -14.55966991
  O     10.17039224      9.50964341    -15.44897985
  H     12.29036256     12.70032770     -9.78083567
  H     13.89972026      9.51610963    -10.54779523
  O     14.84132145      9.69549474    -10.66437774
  H     11.49251626      7.13485986    -17.13037591
  H     15.20381200      8.99428283    -11.22719826
          69
 Energy    -248.01815923611798     
  O     13.75122526     11.98788614    -16.35816479
  H     14.23301697     12.00554281    -15.52530565
  H     15.42761649      5.47219556    -18.01414760
  O     14.76135334      7.25526868    -13.03714179
  H     12.82323811     11.87556350    -16.11289111
  H     17.52747666      8.44625458    -11.71105881
  O     15.99084100     11.30826142    -11.14253658
  H     14.95230510      7.91913514    -13.71862857
  H     18.11255470      9.48247709    -12.70416445
  O     17.75767637     11.06754937    -13.65927196
  H     15.16618116      7.58192255    -12.22295025
  H     17.65212803      9.12855551    -16.72575265
  O     13.53857558      8.27432197    -17.07287068
  H     16.90561100     11.48917281    -11.36375313
  H     18.27846915      8.46053284    -15.45628442
  O     11.59176801     11.51760144    -10.11309609
  H     15.50435176     11.40561245    -11.97510111
  H     14.62036454      8.88748109    -15.70118214
  O     12.16509692      8.27130622    -12.83554546
  H     17.92555861     10.57869963    -14.47990680
  H     16.11838535      9.13206970    -15.30108906
  O     14.77856899     11.45819136    -13.64614076
  H     16.87290912     11.43027691    -13.76161411
  H     10.34851632     12.02509464    -15.28984163
  O     16.24372345      5.83551778    -15.00070306
  H     14.09119234      7.51216904    -17.29254442
  H     11.43717861     11.42092330    -14.37335456
  O     11.71630602      8.61693732    -10.09719828
  H     13.76830195      8.98514926    -17.68610304
  H     13.90279215      7.80740585     -7.93403486
  O     18.77316632      6.97481108    -14.41045343
  H     11.05849165     12.09590521     -9.57495480
  H     13.17755583      8.36664803     -9.18256392
  O     15.45050839      6.30226300    -17.54580615
  H     12.47338040     11.48102106     -9.69970007
  H     12.01991460      8.41793890    -16.03981009
  O     18.25509492      8.60467273    -12.32434194
  H     11.77823200      8.26265570    -13.72390309
  H     11.14595648      9.56943184    -15.51246466
  O     17.88341100      9.27325636    -15.79611590
  H     13.01447877      7.81365346    -12.88589278
  H     15.88633090      9.45337137    -10.90585014
  O     15.20698036      9.14653796    -14.98026506
  H     13.86495345     11.43746203    -13.32696187
  H     15.32162792      8.32133605    -10.02418753
  O     11.15771147     11.51961299    -15.29934807
  H     14.92556674     10.60929830    -14.09699501
  H     14.13394253     10.27879732     -8.80073967
  O     14.02519949      8.35867398     -8.70190243
  H     15.69021434      6.12557440    -14.26475274
  H     14.78755027     11.36385058     -9.68485206
  O     11.31240238      8.62548923    -15.41374499
  H     17.13967495      6.12900188    -14.79171228
  H     16.39664195      7.88221010    -18.11026628
  O     15.88255319      8.49381909    -10.79066235
  H     11.76700716      8.38094480    -11.03424793
  H     16.09283474      9.37070147    -18.40022688
  O     14.06724533     11.20624985     -9.06133312
  H     11.49169596      9.55398156    -10.06947338
  H     11.93007055     11.31260718    -11.89732956
  O     16.81043169      8.74473925    -18.24269854
  H     19.63932575      6.58462128    -14.33115478
  H     12.20931112     10.07127945    -12.79451590
  O     12.18117235     11.04083113    -12.78850454
  H     18.62483877      7.49851143    -13.60163315
  H     14.31017254     10.95546281    -19.29378281
  O     14.51803103     10.47882416    -18.49428602
  H     15.73480642      6.10162385    -16.63581909
  H     14.29903278     11.07041577    -17.75295492
          69
 Energy    -248.01802587963113     
  O      9.53694442      6.53520365    -10.35990745
  H      8.59085636      6.65277981    -10.22101782
  H     12.47928695      4.91571478     -9.94300007
  O     10.89421113      8.94219225    -10.14070805
  H      9.96266279      7.39119262    -10.21818980
  H     14.61139802      5.54472291     -7.29418098
  O     12.52562442      8.08567351    -13.27723439
  H     10.91863586      8.97990032     -9.17421434
  H     14.75087085      5.93374289     -5.80412294
  O      8.35920137      9.05167688     -6.78602599
  H     11.76062547      8.62304118    -10.42521318
  H     12.32794210      5.94702658     -6.64994628
  O      6.38116347      5.59164442    -12.38057416
  H     13.21235998      8.22406880    -13.92521406
  H     11.24031235      5.38858441     -7.60594714
  O      7.00225125      4.61787615     -8.16615252
  H     12.96993073      8.07689291    -12.41466590
  H     10.69135052      3.70787220     -9.58898455
  O     15.24636957      4.71739248     -8.70499630
  H      7.88853634      9.61594158     -6.17859235
  H     10.36053439      5.22028291     -9.53925673
  O     13.40740755      7.84288159    -10.67818954
  H      7.99137208      9.22438181     -7.67145517
  H      8.83432278      7.12562672    -13.39753814
  O     10.43253054      6.27414010    -13.03617557
  H      5.67585514      5.42587160    -13.00000337
  H      8.17529872      8.37000832    -12.77604995
  O      7.67178356      3.56193508    -10.76522669
  H      6.93288635      6.29565427    -12.76758665
  H      9.52635423      6.05443576     -6.55075390
  O      8.81937298      9.86685468    -11.69212955
  H      6.40361088      4.15464119     -7.58596796
  H      8.43443272      7.14178281     -6.63231325
  O     13.22811728      5.06133078    -10.53750120
  H      7.60248625      5.12791159     -7.59280452
  H     11.17763949      7.76739328     -7.22131737
  O     14.20250259      6.05642720     -6.57486875
  H     14.59345470      4.78549959     -9.42059491
  H     10.18626233      8.94863416     -7.09193943
  O     11.38558514      5.98155080     -6.85272232
  H     16.06543038      4.45897526     -9.11931524
  H      6.44123046      6.41484249    -10.74500648
  O     10.89735695      4.52643737     -9.12253706
  H     13.69554647      8.13685317     -9.80201184
  H      6.67728286      6.06697839     -9.24729763
  O      7.98310660      7.57184657    -13.28093904
  H     13.37963779      6.87599759    -10.65594695
  H     11.31625512      3.33686230    -12.14857588
  O      8.57271716      6.18713971     -6.62259477
  H     10.14838766      6.31567901    -12.11176612
  H     11.38290401      4.65784927    -12.93761972
  O     11.07087156      8.71385685     -7.39846667
  H     11.14194046      6.92267237    -13.15843257
  H     10.05285724      1.51191196    -10.84115710
  O      6.71087802      6.78389151     -9.89379167
  H      7.46199727      3.86777635     -9.87389668
  H      9.23560253      2.82267537    -10.90487321
  O     11.91626067      3.90482965    -12.64734282
  H      7.26807765      4.19007192    -11.37521322
  H      7.00146667      8.50728943     -9.47849051
  O     10.13957232      2.46077573    -10.87520616
  H      9.04371377     10.66823761    -12.15964720
  H      7.77190560      9.69323650    -10.08238381
  O      7.35667997      9.38433648     -9.27000053
  H      9.61719290      9.60376133    -11.20300562
  H     14.07385061      7.74698751     -7.50731337
  O     13.84889652      8.52044336     -8.03807715
  H     12.96075577      4.65686667    -11.37497799
  H     12.97359275      8.79306432     -7.73423515
          69
 Energy    -248.01802073330754     
  O     12.65978870      5.33848735    -15.03705034
  H     13.37779205      4.71775976    -15.21387223
  H     14.72235125     10.68042055    -14.74894788
  O     17.22944311      6.02375008    -12.49969184
  H     13.04312620      6.22104948    -15.12241116
  H     16.60291372      8.51486575    -10.71192699
  O     14.99596525     10.39900890     -8.97136736
  H     16.96395158      5.97604305    -13.42699152
  H     16.60673261      7.59952113    -11.96742672
  O     19.56745656      9.35124934    -14.38084478
  H     18.14072604      6.35658474    -12.46237950
  H     10.85648636      4.29708281    -12.63443963
  O     14.93520533      3.58172941    -15.08389499
  H     14.66514176     10.98685303     -8.29604802
  H     11.99209495      4.92337422    -13.47908716
  O     13.81823036      7.96232967     -8.63656102
  H     14.48033379      9.57616244     -8.89635342
  H     16.90821354      7.86668156     -8.62099330
  O     15.46870976      5.11708238    -10.58933871
  H     18.92273375      8.97900932    -15.00916574
  H     16.55532017      9.37294001     -8.83925330
  O     13.62842205      8.73254423    -12.31764232
  H     20.30087337      9.67149952    -14.89898994
  H     13.36732024      3.62484122    -12.41010675
  O     19.61211129      7.29084871    -12.39581462
  H     14.76987283      3.42209444    -14.13752586
  H     14.75417097      3.73845456    -11.75101505
  O     16.09160639      6.26297977     -8.18097952
  H     15.08335712      2.72964527    -15.48495960
  H     18.21643339     10.26329057    -13.41258980
  O     16.26205506      6.05209041    -15.10160598
  H     13.38606271      7.46854844     -9.34582699
  H     17.04482345      9.74236217    -12.54679377
  O     15.47663911     10.20248668    -15.11405694
  H     14.50640199      7.37363407     -8.30432638
  H     18.96315893      8.71671809     -9.55982491
  O     16.26954364      8.43383801    -11.61287479
  H     16.12218335      5.38223635    -11.25514371
  H     20.41711165      9.19695422     -9.44558214
  O     11.74212455      4.64553603    -12.57947101
  H     14.65562351      5.62171709    -10.74199807
  H     16.18123145     11.51650379    -11.94017880
  O     17.23718139      8.70288946     -8.97898785
  H     13.44778634      9.62783890    -12.62636383
  H     15.30339885     11.32143749    -10.67028729
  O     14.27219284      3.29123915    -12.45659967
  H     14.55719123      8.70462615    -12.03615835
  H     14.53938418      8.57273900    -15.16894526
  O     17.36191306     10.51325811    -13.04255200
  H     19.77051959      7.73486728    -11.55072514
  H     13.83885951      7.96410949    -13.96074219
  O     19.83881363      8.64815144     -9.96943876
  H     19.69129826      7.97017360    -13.07553502
  H     12.48409973      5.87696684    -11.40732802
  O     15.37800537     11.81784913    -11.49364559
  H     16.32238239      5.61330523     -7.52223751
  H     13.13075973      7.29283801    -11.43186661
  O     14.09127637      7.77000918    -14.87399232
  H     15.92367433      5.77666053     -9.00660551
  H     14.13186643     11.62615389    -12.69218098
  O     13.03161932      6.48803293    -10.90026557
  H     15.92267080      5.15493780    -15.20950167
  H     12.83668486     12.04337250    -13.43204181
  O     13.48995302     11.35194120    -13.37278462
  H     15.48633757      6.62495796    -15.00665418
  H     16.84998679      9.01920584    -15.92674584
  O     17.58946798      8.40286718    -15.98330422
  H     16.17918438     10.33290762    -14.45969585
  H     17.23375838      7.52676937    -15.78393124
          69
 Energy    -248.01791454288673     
  O     -1.76422550     -3.19409827     -0.22970643
  H     -1.78788016     -2.22960161     -0.30967779
  H     -0.38639039     -7.91340185      0.91690819
  O     -1.74742457     -0.06173071      6.62046373
  H     -2.67653787     -3.48958050     -0.12697045
  H      3.78785392     -1.77992774      5.04202190
  O      2.32723916     -1.09872232      2.27289528
  H     -2.31678732     -0.73124637      7.01968198
  H      2.81067298     -1.70750210      3.84582967
  O     -2.93984228     -0.08649214      2.34296661
  H     -0.93895396     -0.52347638      6.36438079
  H     -0.94865720     -3.55723198      1.40836632
  O     -3.54728952     -2.17472995      7.36086730
  H      2.35436048     -1.78978663      1.59933777
  H     -0.11271422     -4.32584744      2.50876656
  O      0.30035540     -1.71374344      5.56802044
  H      1.39321184     -0.89780505      2.42551100
  H     -2.00638871     -4.00303434      3.35636426
  O     -0.09193397     -6.08991671      5.78199364
  H     -3.11320371      0.45666452      3.12182236
  H     -2.40162791     -4.18101903      4.83332480
  O     -4.93495802     -1.22708336      5.22140420
  H     -3.45644147     -0.89940098      2.44673256
  H      3.04567666     -3.80261241      3.69427356
  O     -1.94969630     -0.43985117     -0.23262281
  H     -4.09723180     -1.90530875      6.60359376
  H      2.97590750     -4.13124386      2.18572974
  O      0.67214083     -5.87647756      3.14256870
  H     -4.13237161     -2.25350533      8.10956012
  H     -4.55368889     -2.88318976      1.87779876
  O     -3.21111365     -6.05564711      1.78013527
  H      0.01211950     -1.38823648      4.70094314
  H     -3.85134496     -3.08004273      3.23209713
  O     -0.59359085     -6.98923687      1.03164053
  H      1.23828995     -1.91082541      5.46688519
  H      1.83492824     -3.85765443      0.14917214
  O      2.97823446     -2.14935512      4.69838790
  H     -0.57386452     -5.30491853      6.08506684
  H      3.23783762     -3.32209124     -0.19218300
  O     -0.65646639     -3.54884721      2.32946390
  H      0.18814232     -6.54753777      6.57081799
  H     -0.42495380     -1.89511671      2.75885123
  O     -2.73481808     -4.27965228      3.93526440
  H     -4.55213916     -0.35305298      5.07502231
  H     -1.20912440     -0.56157202      2.78795375
  O      3.02354296     -4.53217411      3.06365574
  H     -4.93380943     -1.66298316      4.36000029
  H     -0.30040813     -4.23138400     -0.61923017
  O     -4.38058938     -2.44843401      2.72028757
  H     -1.37494995      0.28524060     -0.46677100
  H      0.15375523     -5.60345982     -0.09086588
  O      2.58261043     -3.34576074      0.50140089
  H     -2.33861905     -0.20524148      0.62426474
  H     -2.73577656      0.78457258      5.44666792
  O     -0.36214041     -0.95958941      3.01450710
  H      1.56696905     -5.50486967      3.14783112
  H     -3.55039180      2.05100428      5.09391162
  O      0.47961706     -4.79066626     -0.49438734
  H      0.39686289     -6.00368413      4.06087939
  H     -2.16469499     -3.28286309      6.81699633
  O     -3.37940187      1.15500680      4.81651318
  H     -2.35609837     -6.41138588      1.51005181
  H     -0.79953879     -3.06541761      6.10639430
  O     -1.44017044     -3.74133101      6.37387465
  H     -3.08211017     -5.63985257      2.64319937
  H     -5.08298868     -4.38974354     -0.20116914
  O     -4.39213629     -4.07334597      0.37446869
  H     -0.10312903     -6.68849476      1.81767124
  H     -4.03409672     -4.85087702      0.84148450
          69
 Energy    -248.01772114518096     
  O     14.04956928      9.24882858    -10.46099034
  H     13.95680170      9.90057761    -11.17088325
  H     17.10826069      4.32666333    -11.62321699
  O     12.95658841     10.60551229    -16.44583087
  H     14.69126264      9.57193096     -9.81672845
  H     12.28684249      6.80888697    -11.34456351
  O     16.61352676     11.22377085    -13.18238641
  H     12.25493458     10.38977808    -17.05561456
  H     12.94477758      7.81390321    -10.37286293
  O     14.10492470      5.01268841    -13.88605558
  H     13.04301841      9.85020123    -15.84292092
  H     13.10567577     12.12790410    -15.25509623
  O     16.37586033      7.01415115     -8.44405971
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  H     14.21716942     13.05262391    -14.72398605
  O     16.10874539     13.21727862    -15.00487999
  H     17.10705752     11.03506328    -12.37194892
  H     14.20100361      8.11076821    -14.70897713
  O     15.78655102      7.53771505    -11.84343533
  H     14.74250460      5.59396396    -14.31794403
  H     12.77236936      7.94623278    -14.13403866
  O     13.89209239     10.68171774    -12.78608931
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  H     15.87172786     11.99060981    -16.47675725
  O     18.56367831      7.80533165    -11.46869496
  H     15.62215714      6.42495063     -8.56796348
  H     14.77006652     11.02731266    -16.95101750
  O     17.83874102     10.43671145    -10.86895818
  H     17.15690923      6.53739517     -8.74921152
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  H     16.69637850     13.96448138    -14.92966549
  H     11.13791500      6.12275876    -13.47072539
  O     18.07342758      4.31747297    -11.70566943
  H     16.38714966     12.57455878    -14.32991409
  H     13.59121548      4.85980084     -8.28378344
  O     12.52689685      6.94148892    -10.42128160
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  H     13.48157341      5.88529570     -9.43799283
  O     13.33039094     12.72289685    -14.52832120
  H     16.69474402      7.74858029    -11.59259570
  H     14.92220585      4.76009036    -10.54052657
  O     13.35997653      8.56691301    -14.58489447
  H     13.60233957     11.47854726    -13.25350336
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  H     18.52718770      5.16653652    -10.25244525
  O     11.96213753      6.54209450    -13.23610008
  H     18.67468457      7.32620384    -12.29884835
  H     19.44887132      5.40209819     -9.03065271
  O     14.10310984      5.31986942     -8.94314113
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  O     15.36125668      4.82900731    -11.39601657
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  H     16.30164478      7.96211045    -14.91754191
  O     18.72222538      5.77835392     -9.52005211
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  H     16.17456271     10.10009401     -7.79618326
  O     15.87441000      7.17641516    -14.53206894
  H     19.06376967      6.32727142    -14.59344224
  H     16.25178592      8.74660069     -8.54236100
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  O     16.99843017      9.43990208    -15.33909895
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  H     16.62624112      9.97280128    -16.05571894
          69
 Energy    -248.01755024177569     
  O      2.44795732     -0.76172337      5.02891426
  H      2.14752278     -1.00852978      4.14335010
  H     -1.81740946     -1.69103933      3.53044523
  O      2.64781856      2.01446384      5.44051136
  H      2.56584147      0.19561707      5.06438640
  H      2.05792044      0.89974992      0.24671759
  O     -2.06304701     -4.58351159      6.02719492
  H      2.25041408      1.97045923      6.32757631
  H      1.51872572      1.22377128      1.66290937
  O     -2.16388442     -1.37814990      9.04811198
  H      3.46208676      2.50329266      5.53418959
  H     -2.00395711      3.25932367      2.52608750
  O      2.57408072     -4.77522113      6.30133403
  H     -2.72924528     -3.99067200      6.39357455
  H     -1.54240872      1.79193881      2.38383531
  O      1.36932198     -1.65961572      2.65691523
  H     -1.27672706     -4.45804465      6.57647441
  H     -2.13472656      2.05567962      4.69826840
  O      1.48265552     -4.20952880      3.89795955
  H     -1.87445208     -0.50347406      8.75400384
  H     -2.56187434      0.71692021      5.31270762
  O      3.76996244     -2.26852024      7.00257789
  H     -1.40164242     -1.79588482      9.46271104
  H     -1.46728063     -0.47701861      1.69150647
  O      1.59855700      1.70633762      7.92470626
  H      2.22784240     -4.58465259      5.40979536
  H     -0.40142518      0.42036449      1.03221668
  O      2.00981212     -1.02122278      8.67620218
  H      3.02531742     -5.61328260      6.24717000
  H      1.69864607      2.30531582      3.84167730
  O      0.27534656     -2.65003695     10.02257244
  H      1.53705435     -0.98595547      1.98613126
  H      0.35909979      2.51527463      3.08539316
  O     -1.40363343     -2.04497723      2.72900586
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  H      0.15171939     -2.23568469      6.72401256
  O      1.53380988      0.54747719      0.96022402
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  H      0.94262395     -1.15074057      5.89855461
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  H      1.60887113     -3.38999113      3.40450736
  H     -1.65189579     -5.55767499      3.06171790
  O     -2.45405429      1.65620516      5.51554517
  H      3.49198326     -3.17116100      6.80679299
  H     -1.60768631     -4.72190597      4.36338514
  O     -1.32218650      0.40321561      1.32070761
  H      3.46510753     -1.74118587      6.25016302
  H     -1.59648613      1.31419972      7.06385083
  O      1.30116634      2.33989084      2.96417844
  H      1.93596176      0.92761633      8.38227248
  H     -0.63220701      0.13510493      7.28422077
  O      0.16010822     -1.30936212      6.44562785
  H      0.63489716      1.62674079      7.95582011
  H     -3.19071443     -2.15697176      7.86944816
  O     -1.27920482     -4.76935430      3.44720177
  H      1.34388410     -0.97379794      7.97815591
  H     -4.62666017     -2.51802281      7.42441455
  O     -1.06256143      0.87203112      7.74145461
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  O     -3.71495234     -2.54698104      7.14709546
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  H      0.26019426     -3.65204203      8.41434278
  O      0.20730165     -3.89583652      7.48235998
  H      0.47409990     -2.83757304     10.93633790
  H     -2.92564463     -1.60712221      5.74880931
  O     -2.33018278     -1.14157191      5.14845089
  H     -1.42675722     -3.00484734      2.82321316
  H     -1.45021889     -1.20013725      5.54697255
          69
 Energy    -248.01739052963603     
  O     11.18012314      9.70157564    -16.10512857
  H     11.33066951      8.93639124    -15.54218523
  H     17.45617315      7.63915350    -14.65231002
  O     15.31840578      7.39762216    -11.59366533
  H     11.05066272     10.46195394    -15.51791441
  H     18.57359917     10.52765055    -14.27968937
  O     15.84231001     12.03205179    -13.60669193
  H     15.88409507      7.36897258    -12.37622960
  H     18.90185870      9.66786492    -15.50826161
  O     12.75485996     10.80105848    -18.02554876
  H     15.67086751      8.10101893    -11.03572859
  H     15.78441804     10.30169429    -10.16047690
  O     13.60461249     10.43299233    -13.84044405
  H     16.04979704     12.03607252    -14.55059910
  H     16.84267265      9.60630850     -9.27299150
  O     13.84628789     13.44607306    -12.28383539
  H     16.46885308     11.42284964    -13.19291054
  H     17.37805980     11.39116674    -16.01872845
  O     12.67881083      6.92034334    -11.90194972
  H     12.18308550     10.37493475    -17.36253455
  H     16.08086906     10.91517466    -16.71640586
  O     12.73630348     14.32752009    -14.79810473
  H     12.22265247     10.91997915    -18.80796944
  H     11.07782605     11.99145897    -13.51616020
  O     17.52431211      8.37695874    -18.36672959
  H     12.85837798     10.97110850    -14.13289447
  H     11.66129990     12.78626226    -14.69949051
  O     12.52085695      9.72155809    -11.38385213
  H     14.36401465     11.01865583    -13.72140142
  H     13.73823214     10.80464612    -10.51476116
  O     18.74142741      7.79142080    -15.99750219
  H     14.64268123     13.04900784    -12.66751228
  H     14.29913207     12.21268354    -10.78487433
  O     16.76427680      7.73062250    -13.98618036
  H     13.43028315     13.89356348    -13.03114728
  H     12.04774176      7.13260094    -13.61918703
  O     18.79253512     10.58129786    -15.21914176
  H     12.44465309      6.24392346    -11.27154146
  H     11.23100117      6.48393348    -14.75492569
  O     16.47142479      9.61113424    -10.15114767
  H     13.63843082      7.06642551    -11.80629901
  H     13.58834926     12.32892773    -17.20865737
  O     16.49806833     11.68115517    -16.30141607
  H     13.26925501     13.92987551    -15.51030894
  H     14.97851474     12.71840056    -16.66170190
  O     11.28339700     11.93090475    -14.46157138
  H     12.49822203     15.20332510    -15.09040684
  H     17.34821001      9.95513337    -11.75605016
  O     14.46003480     11.40678944    -10.28308299
  H     17.81163535      8.81827288    -19.16251278
  H     17.29630332      9.27076161    -13.14030634
  O     11.79438696      7.22724162    -14.55105816
  H     16.65588569      8.75386808    -18.15091951
  H     14.88721911      8.96031953    -16.73458338
  O     14.06999905     13.03193967    -16.75694714
  H     12.93441968      9.94910045    -12.23205342
  H     14.36272137      9.91929463    -17.82706263
  O     17.58037583     10.07683991    -12.68472449
  H     12.43124506      8.76472198    -11.39263168
  H     12.09318919     12.69758113    -11.78593504
  O     15.16017382      9.48266663    -17.50311271
  H     19.49613754      7.22632543    -16.14221458
  H     11.49781417     11.32061532    -11.45181584
  O     11.25931501     12.21092392    -11.74259723
  H     18.33576110      7.94646415    -16.86772008
  H     14.11390128      9.03442091    -14.73116924
  O     14.33485170      8.21656349    -15.20802008
  H     15.92757862      7.84603311    -14.46009626
  H     13.54203953      7.67347729    -15.15027394
          69
 Energy    -248.01711483913837     
  O     10.81074270     12.13416385    -13.28193889
  H     10.71423555     12.70633758    -14.05383413
  H     12.08503147     10.59048374    -10.87901745
  O     13.73520471     10.72415794    -17.49843718
  H     11.09927379     11.28081477    -13.63829991
  H     13.44991056     12.49803624    -11.70529207
  O     10.99453709      8.04815289    -12.20323490
  H     12.76824317     10.73811481    -17.37786368
  H     12.31087064     13.00138003    -12.61669887
  O     14.41882090     10.07417435    -14.85465429
  H     13.89786136     10.48016516    -18.40521894
  H     16.13341550      9.24639722    -11.95944978
  O     13.54389620     12.32888140     -8.25580347
  H     10.96371012      8.87399703    -11.68764209
  H     16.75844396     10.64142890    -11.62522461
  O     13.69733452     13.31555973    -16.22635633
  H     10.16817747      7.59566982    -12.05449733
  H     15.94044994      7.47604529    -13.79496821
  O     11.66912213      9.70074111    -14.37905188
  H     14.70333282     10.92982881    -14.50039134
  H     15.10029391      8.77216627    -13.88963042
  O     13.63617003      7.95850171     -8.59231701
  H     14.28124400     10.19582787    -15.80301126
  H     13.69495754     14.32974072    -10.75313366
  O     13.79943258     11.06325275    -10.73014313
  H     12.92222304     11.62455753     -8.02193121
  H     13.75644448     13.92514560     -9.26603168
  O     11.84268568     10.14987929     -8.14016021
  H     14.38202268     12.16746310     -7.80379501
  H     14.19859593      7.56270142    -11.93602158
  O     16.60278421     13.35593582     -9.86540436
  H     13.80995505     12.53183466    -16.77715031
  H     12.68529303      7.49709965    -11.62799578
  O     11.12487060     10.46173251    -10.95287923
  H     14.31560626     13.20696929    -15.49210978
  H     18.28980411     12.55217104    -12.34972777
  O     13.17471014     13.24406393    -12.26252872
  H     11.46224022      9.01688997    -13.73184319
  H     17.12149912     12.71879068    -11.34842647
  O     16.30324451      9.87661324    -11.24937860
  H     12.63071238      9.77535579    -14.44296023
  H     16.21297512     10.93629304     -7.75909728
  O     15.45866575      8.11237609    -13.27227894
  H     13.54199130      7.13517591     -8.11889528
  H     16.68191551     11.86590038     -6.61225478
  O     14.10402679     14.55874827     -9.90953632
  H     13.62976073      7.73508944     -9.53941253
  H     16.00861092     12.54454701    -13.42544325
  O     13.56020650      7.35763629    -11.24432935
  H     14.64325825     10.62153616    -10.87034090
  H     14.49942613     12.90736316    -13.37900236
  O     17.38746662     12.29236020    -12.18581492
  H     13.81686625     11.47851893     -9.85543965
  H     11.97645416     13.52705303    -15.88275293
  O     16.19491388     11.85367060     -7.43134061
  H     12.42563742      9.38825290     -8.26035001
  H     10.68063783     14.35014862    -16.06176052
  O     15.20370159     12.57091438    -13.95514852
  H     11.36189302     10.24648381     -8.97026047
  H     15.27404295      8.88822946     -8.46056656
  O     11.01345095     13.51705396    -15.73846912
  H     15.79513818     13.88959471     -9.90333831
  H     16.29725391      9.48120731     -9.45075269
  O     16.09930125      9.38584474     -8.50891058
  H     16.57537684     12.88906718     -9.02348113
  H     11.13720257     10.35010485    -16.04219199
  O     11.10207703     10.86788098    -16.85927731
  H     10.81019342     11.14143078    -11.55992038
  H     10.91028925     11.77286235    -16.58356273
          69
 Energy    -248.01694941876582     
  O     13.20210806     11.99494991     -8.26910632
  H     12.84820528     12.10539807     -7.38955683
  H     10.16348834     13.73442914    -13.04868063
  O     10.96638191     11.34494775    -14.89367983
  H     12.47090984     12.15502239     -8.88692797
  H     13.67373776     14.56010592    -11.47614910
  O     13.45860668      9.34242616     -9.43688078
  H     11.00335930     12.19907997    -14.44071359
  H     13.51435189     13.18722334    -12.17017613
  O     18.35204387     12.32871374    -13.00010199
  H     11.01070523     11.54115339    -15.83738914
  H     11.88780726     14.36670647    -15.16463488
  O     11.36138047     12.32325417    -10.30630897
  H     13.43855363     10.17725745     -8.95669337
  H     12.08991244     13.77366363    -16.56598305
  O     11.55062264      9.79764672    -11.46472575
  H     12.73561042      9.38056666    -10.07735657
  H     13.93246063     11.11299109    -13.17601071
  O     12.99885262      9.75343197    -13.84758710
  H     19.24650580     12.26570255    -12.67664094
  H     15.17450839     11.62843858    -12.37438701
  O     15.28235629     15.34092350    -10.99532040
  H     17.78199405     11.88524301    -12.34583647
  H     16.42111438     12.08498601    -15.41751056
  O      9.23233750     10.45014406    -12.81581771
  H     11.45612557     11.44734831    -10.71151165
  H     17.55436511     11.56073050    -14.52963872
  O     14.94509938     13.32580577    -15.22488093
  H     11.94806461     12.93230252    -10.78152995
  H     11.17388925     12.11102336    -18.42911676
  O     14.01643093     11.37501064    -17.16149350
  H     12.13263039      9.65296109    -12.22327696
  H     12.38116621     11.82932781    -17.50030396
  O     10.94097630     13.86028580    -13.60475038
  H     10.65738278      9.86404874    -11.83255806
  H     15.01065723      8.87032070    -10.12297605
  O     13.01639584     13.92917517    -11.78888582
  H     13.68131104      9.47718722    -14.47132669
  H     16.12703724      7.82130500    -10.25768181
  O     12.49297622     14.36342589    -15.91761312
  H     12.31606797     10.24285932    -14.33157815
  H     15.60075269      8.47217982    -15.85113531
  O     14.41467712     11.90388375    -12.90306289
  H     15.78975568     15.10734908    -11.79366447
  H     15.87012021      9.93447617    -15.42755639
  O     16.96503489     11.30537024    -15.24949561
  H     15.52158310     16.23640915    -10.77255834
  H     16.32127143     11.78984027    -10.57036852
  O     11.47121420     12.17850086    -17.52635387
  H      8.96372718     11.30477127    -12.45949700
  H     16.41823191     10.29296969    -11.04372731
  O     15.87430214      8.69708622    -10.53556426
  H      9.69730191     10.64905061    -13.64018103
  H      8.36595244     13.48265680    -11.07423532
  O     15.16664070      9.28357696    -15.60105169
  H     14.74694696     12.81644462    -14.42268852
  H      9.77505289     12.84815931    -11.04214212
  O     16.58641461     11.21033902    -11.30142232
  H     14.14178339     13.81139067    -15.46613453
  H     16.08689921     14.35603300    -14.01281049
  O      9.03769144     13.09063035    -11.62653113
  H     14.37177735     12.08111738    -16.60767623
  H     17.29391098     13.90574800    -13.16868032
  O     16.61816852     14.59131585    -13.24322130
  H     14.36224118     10.55745738    -16.78583423
  H     15.50174654     13.80146543     -9.84747555
  O     15.65347538     12.94577236     -9.42887912
  H     11.68372602     13.99704046    -12.99787688
  H     14.83071636     12.68800419     -8.99596210
          69
 Energy    -248.01683465233751     
  O     12.75395330      8.22485528    -16.91714631
  H     12.22373861      8.32277512    -17.70261845
  H     11.05187508      5.63518356     -9.93965786
  O     11.67659846      9.31202647    -10.66281223
  H     12.13809194      8.27972199    -16.16561547
  H     17.02458155      4.52728544    -12.94882744
  O     15.87863294      6.92101661    -10.92335447
  H     11.38281867      8.40167616    -10.53750255
  H     16.72484481      4.69234803    -14.44435677
  O     14.95152421      2.51465548     -9.43697235
  H     12.26699064      9.50403283     -9.92386653
  H     14.54501830      7.47194667    -13.92279920
  O     13.59999059      9.63288239     -8.57776340
  H     16.01057632      5.96508487    -10.99628718
  H     14.36878643      8.60742423    -12.88096379
  O     12.05841768     10.56020124    -13.03208328
  H     15.29872316      7.15692328    -11.66603977
  H     11.27082555      7.58903543    -14.12514115
  O     15.83875160      4.22823486    -11.47247077
  H     14.44346524      3.11816539     -8.86524472
  H     11.45897487      9.12106681    -14.15078273
  O     12.61274243      2.49122879    -11.11620752
  H     15.33784748      1.85448544     -8.86832324
  H     17.38710962      9.91758289    -15.25440197
  O     14.85408972     10.38273857    -12.83364015
  H     13.69075186     10.22571120     -7.83709796
  H     17.10354971      8.79997531    -14.22150152
  O     13.38463074      4.23129162     -8.03842244
  H     14.38812721      9.75389421     -9.13844078
  H     14.57687875      6.84042804     -9.57943261
  O     10.91674505      3.83654215     -9.47181058
  H     11.89680219     10.12367826    -12.17508483
  H     13.75244103      7.76767507     -8.65219599
  O     11.36807087      6.50802098    -10.20457461
  H     11.48083598     11.31899063    -13.06363445
  H     15.95951643      8.78258547    -10.38953166
  O     17.39542228      4.86679925    -13.77392521
  H     15.05798062      4.20773432    -12.04545616
  H     15.48519908     10.05622098    -11.12716858
  O     14.27695477      7.65574506    -13.01287494
  H     15.67083956      3.60144240    -10.75880164
  H     17.70839989      6.63777383    -13.49292296
  O     11.19945425      8.36697852    -14.69347499
  H     12.90307032      2.93076806    -11.92632060
  H     17.31547925      7.49002307    -12.29113636
  O     16.68181409      9.44232067    -14.82338827
  H     13.41219952      2.33573708    -10.59856026
  H     12.73491916      6.82573518    -12.92400799
  O     13.85222342      6.85192025     -8.94129956
  H     13.94265435     10.59862323    -13.07363642
  H     11.60806795      6.31345509    -12.00091217
  O     15.71276587      9.70546154    -10.25455825
  H     15.38460273     10.24829481    -13.62929471
  H     14.23715728      7.67548292    -16.19119525
  O     17.69302644      7.55274525    -13.17273505
  H     12.48653180      4.09528336     -8.36441673
  H     15.62396118      8.08149875    -15.58252551
  O     11.92486832      6.29007494    -12.91326600
  H     13.59281044      5.15869133     -8.21517194
  H     15.10359399      5.58632984    -15.66316969
  O     15.00918387      7.34801213    -15.70227173
  H     10.15566700      3.29820122     -9.27259135
  H     15.10524847      4.23207615    -16.40895344
  O     15.13274148      4.62228926    -15.53886012
  H     11.45810518      3.33303296    -10.10631932
  H     12.96142835      4.80549786    -13.15291537
  O     13.62085600      4.09860630    -13.19953809
  H     12.23811455      6.60873428     -9.79191577
  H     14.06941427      4.18351208    -14.04937662
          69
 Energy    -248.01658089719109     
  O     15.53092339     10.52434500    -16.60429918
  H     14.71435766     10.73665446    -16.13959876
  H     18.18525589      6.61062309    -11.65180743
  O     16.15555011      5.10801783    -13.72890921
  H     16.23945717     11.11574520    -16.30438477
  H     16.08075387      8.48689078    -14.00457613
  O     17.19477635     13.55863004    -10.60149703
  H     16.50793362      5.30571820    -14.60514604
  H     16.11335728      9.16460446    -15.41565176
  O     19.20424499      9.33680803    -15.11809178
  H     16.88812566      5.25378934    -13.11858357
  H     12.29894299     10.92490596    -15.37603477
  O     15.02057680      6.96379981    -17.48644735
  H     17.43755639     14.43878984    -10.32852605
  H     13.15325430      9.63872478    -15.24639039
  O     17.14077802      9.82155624     -8.85583615
  H     17.92588584     12.96835513    -10.34319185
  H     17.50244571      8.63979663    -10.22447525
  O     15.23615912      8.34019598    -12.36711736
  H     19.28945106      9.09477755    -16.05196397
  H     16.73546431      8.19881370    -11.50042649
  O     16.98902797     12.06866457    -12.97521341
  H     18.28574393      9.10546112    -14.89798315
  H     13.84366275      7.60343875    -16.24415042
  O     19.68754156      6.43854698    -14.58152704
  H     15.38887996      7.63118532    -18.07856998
  H     13.35769498      7.31422298    -14.80476805
  O     13.71760050      6.20169584    -13.29415715
  H     15.78235598      6.48689587    -17.13628648
  H     19.24188981     11.19251826    -10.85144911
  O     17.37924085      6.22499848    -16.05508530
  H     16.94138097      9.67561048     -7.93496191
  H     18.52388507     11.00886545     -9.50240329
  O     18.43077287      5.78055105    -12.09244094
  H     16.42500158     10.37760544     -9.21345283
  H     19.27920258      9.91706194    -13.33332512
  O     16.59500767      8.58409632    -14.81334725
  H     14.57992517      7.66614890    -12.58188420
  H     18.56929282      9.41748557    -12.03568819
  O     13.15184644     10.60354616    -15.09618449
  H     14.82835730      9.21677564    -12.39892586
  H     14.83985369     11.31951699    -10.77375226
  O     17.60245211      8.17395868    -11.06375247
  H     17.04044386     12.72513978    -12.26990519
  H     15.81319643     12.30834261    -10.10376916
  O     13.30658777      7.95713418    -15.52009314
  H     17.65896433     11.39791828    -12.77678868
  H     18.01320158      8.67493224    -18.16246244
  O     19.03500271     11.64265246    -10.02140662
  H     19.36053242      6.23844170    -13.69489459
  H     18.42897029      7.47146520    -17.32299815
  O     18.98973650     10.18312317    -12.45183964
  H     19.75157408      7.39772540    -14.64135114
  H     13.94115831     10.93586525    -13.44255163
  O     15.30170312     11.50403954     -9.94682788
  H     14.56113757      5.74089698    -13.45611679
  H     15.31590518     11.35934202    -12.84143898
  O     18.74971511      8.31911284    -17.64979423
  H     13.10071874      5.54637665    -12.98028325
  H     18.38500515     11.19109821    -15.58352298
  O     14.45941728     10.95784606    -12.62857060
  H     17.03033385      7.04339325    -15.66333326
  H     17.46175236     12.09902139    -14.74984746
  O     17.70138376     11.86493182    -15.65803951
  H     18.24833094      6.10158941    -15.64429706
  H     15.96970340      9.70804709    -18.08961188
  O     16.27745093      9.15974702    -18.83264876
  H     18.85262559      5.23281665    -11.43447077
  H     16.08148192      9.64254513    -19.63135169
          69
 Ord_Energy   -248.016556    
 O   -4.23407650      -3.50582075      0.293090701    
 H   -4.03461838      -3.19545674       1.18355024    
 H   -4.97443104      -4.12452841      0.392866045    
 O   -1.55297911      -2.46240115       3.56494379    
 H  -0.951373041      -2.13448763       4.22800684    
 H   -1.37221384      -3.41525412       3.48894644    
 O   -1.00877500      -6.81251144       1.00750363    
 H  -0.984737694      -6.27589941      0.197344020    
 H  -0.342418551      -7.48792648      0.905484855    
 O   -4.60279655      -7.18148327      -1.41451252    
 H   -4.28710604      -6.34153032      -1.77128279    
 H   -5.48690891      -7.32943201      -1.76671374    
 O   -8.60563183      -7.71498966       6.45184666E-02
 H   -9.16625118      -7.03080845      0.448386401    
 H   -7.89313459      -7.86174822      0.704098344    
 O   -6.61353493      -6.67935801       4.42233992    
 H   -7.32045221      -6.05272150       4.18295765    
 H   -6.85068035      -7.05713224       5.26456070    
 O   -6.51076603      -5.01034641      0.635116458    
 H   -6.90788794      -4.99196720     -0.244944736    
 H   -6.54729223      -5.91328430      0.968003809    
 O   -7.53422165      -4.81444836      -1.98705852    
 H   -7.50130749      -5.74418163      -2.24849844    
 H   -6.91847229      -4.32559204      -2.54601240    
 O   -5.79127169      -1.68310380      -1.20455384    
 H   -5.19996929      -2.17595243     -0.619225740    
 H   -6.57759905      -1.47943878     -0.685472727    
 O   -8.49859905      -4.94826794       3.57275915    
 H   -8.04951668      -4.13226938       3.31551719    
 H   -9.06425762      -5.19175482       2.82917166    
 O   -4.21762085      -2.91213202       3.02834463    
 H   -3.33557534      -2.59173822       3.26148081    
 H   -4.22163057      -3.86333942       3.21636391    
 O   -6.46352434      -7.65573215       1.78984034    
 H   -5.51787376      -7.73831654       1.60501921    
 H   -6.55269146      -7.44723701       2.72819638    
 O   -5.65345669      -3.24123979      -3.39117694    
 H   -5.73632860      -2.75506878      -4.20673275    
 H   -5.71478939      -2.59131122      -2.66563535    
 O   -4.16529799      -5.66292048       3.41718078    
 H   -4.07421684      -6.17975140       2.60372758    
 H   -4.94527864      -5.99667025       3.87521172    
 O   -9.51275253      -3.58191466     -0.453675091    
 H   -8.91172791      -3.96854472      -1.10590899    
 H   -9.10644150      -2.75373340     -0.173435926    
 O   -10.0965786      -5.58193970       1.28567696    
 H   -9.91937542      -4.84462881      0.674941599    
 H   -11.0454998      -5.64606285       1.36383939    
 O   -3.78831816      -7.31074953       1.17032802    
 H   -2.82649994      -7.25205803       1.16098964    
 H   -4.07026291      -7.28727913      0.241178676    
 O   -8.05071449      -1.31619489      0.513935745    
 H   -8.38186646     -0.494311571      0.867127359    
 H   -7.67313099      -1.81087303       1.26186728    
 O   -3.54167104      -4.63594484      -2.09520125    
 H   -4.15219402      -4.19632483      -2.69706368    
 H   -3.67476606      -4.21935749      -1.22759783    
 O  -0.972259045      -5.30080128      -1.28195059    
 H  -0.431003898      -4.53755856      -1.47250748    
 H   -1.83851612      -5.11140633      -1.67410040    
 O   -6.92541790      -2.93438005       2.40047789    
 H   -6.02982855      -2.76403761       2.72268319    
 H   -6.85313416      -3.68684435       1.79007769    
 O   -7.32754564      -7.55890989      -2.30260730    
 H   -7.60015154      -8.25409412      -2.89475799    
 H   -7.83084774      -7.67853880      -1.47578537    
 O   -1.36332083      -5.20036793       3.36358213    
 H   -2.28283358      -5.42410898       3.55962229    
 H   -1.13762760      -5.70832109       2.57572937    
          69
 Energy    -248.01644770997342     
  O     -5.79442061      0.48545648      0.73926653
  H     -5.53476618      1.37875717      0.47061009
  H     -0.47806034      4.84479080      1.56347313
  O     -5.76497556      0.86806462     -3.35918609
  H     -6.39494739      0.14917966      0.06326118
  H     -4.99335895      3.21895061     -0.94625822
  O     -4.66525993      0.40779474      3.34097972
  H     -5.01813121      0.29396306     -3.56714100
  H     -3.92061362      2.68108692      0.04457164
  O     -0.61261960     -0.34960840      2.27818586
  H     -6.32225696      0.37984742     -2.74122171
  H      1.99178770      1.74955347     -2.24988766
  O     -1.68652828     -0.55318487     -0.29256086
  H     -5.18738570      0.48230176      2.53172879
  H      1.19564754      1.50064850     -0.94990113
  O     -3.51060472     -0.85111600     -3.82622584
  H     -4.47568888      1.30752977      3.63185552
  H     -1.31168661      3.76092909     -2.10093484
  O     -4.03470566     -1.67966704      0.57812056
  H     -1.27368948     -0.95342463      2.63924578
  H      0.04020079      3.26289540     -1.54331180
  O     -1.30983834      0.45612703     -2.78918461
  H     -0.89001440      0.52680522      2.58630675
  H     -4.47189085     -1.95719183     -2.55670731
  O     -5.17184428      3.42171790     -2.77847920
  H     -2.52172665     -0.99563035     -0.08820572
  H     -4.64005109     -2.30613418     -1.05632124
  O      1.27485422      1.29578361      0.79295978
  H     -1.17408170     -0.54976016      0.52640981
  H     -1.83024246      2.27030590      1.98849831
  O      0.78518212      3.57929168      2.46073280
  H     -2.69981569     -0.40663074     -3.53185495
  H     -2.26069637      2.45425734      3.46761588
  O     -1.21182266      5.20767924      1.05639521
  H     -3.32645984     -1.19284415     -4.69879728
  H     -3.54850972     -0.92027384      3.32338981
  O     -4.84281300      2.97692725     -0.02438246
  H     -3.70233680     -1.86161690      1.46521800
  H     -3.12955541     -2.28634137      3.91900507
  O      1.10691075      1.71614600     -1.89538097
  H     -4.62675905     -0.91576442      0.65114732
  H     -1.69244334      2.71417329     -0.28363986
  O     -0.70410664      3.84403588     -1.34909644
  H     -1.44287749      0.00880569     -1.93815191
  H     -2.07601492      1.22190191     -0.01011546
  O     -5.07197948     -2.36430622     -1.92050034
  H     -0.44708391      0.87820654     -2.70384285
  H     -2.94635249      4.93813447      1.67544185
  O     -1.52066307      2.19806676      2.90617632
  H     -5.71493389      4.02383541     -3.27997569
  H     -4.28807152      4.25799717      1.28121737
  O     -2.96086358     -1.68854245      3.19556072
  H     -5.43887015      2.51880425     -3.02990168
  H     -8.01686480     -1.13275223     -1.52612100
  O     -2.25763837      2.13409018      0.24379702
  H      0.83005269      0.61943190      1.31547502
  H     -6.49249984     -1.38608979     -1.62802529
  O     -3.81992755      4.68630315      2.00843473
  H      1.22622529      2.10941045      1.31142673
  H     -3.91192980      3.67938402      3.39085199
  O     -7.16738522     -0.70819594     -1.44135759
  H     -0.02422364      3.12144756      2.74814616
  H     -4.16915570      3.50094579      4.90667368
  O     -3.88573307      3.03647345      4.12451914
  H      1.25173758      3.83515972      3.25286051
  H     -2.19308362      2.16897614     -3.20406190
  O     -2.39851960      3.10227177     -3.33651145
  H     -1.03969192      4.92329610      0.14827825
  H     -3.34396619      3.21196918     -3.17822426
          69
 Ord_Energy   -248.016357    
 O    2.52178240     -0.697377026      -1.34251225    
 H    2.45397592     -0.784621716     -0.374245286    
 H    3.38902307      -1.00690460      -1.58838010    
 O   -6.03573656     -0.471124440      -2.79817462    
 H   -5.93414259      -2.54884101E-02  -1.93803132    
 H   -6.97290611     -0.549382687      -2.95659208    
 O   -3.72736406     -0.906874537      0.752056718    
 H   -3.71014595      -1.85947824      0.601002872    
 H   -3.00236678     -0.679219007       1.35148764    
 O  -0.873363435      -3.44430423      0.358706236    
 H   -1.81394458      -3.59474707      0.209011286    
 H  -0.553403795      -2.93932605     -0.401455283    
 O    1.03875422       1.69154990      -1.80721343    
 H    1.68385220      0.977176487      -1.75020969    
 H   0.533169448       1.54798913      -2.62120438    
 O   -2.86513424       2.79607916      -4.43133211    
 H   -3.06653380       3.38465190      -5.15352631    
 H   -3.38198757       1.98261261      -4.57281303    
 O   -4.25301933      -2.66951632      -2.52670169    
 H   -3.49037957      -2.35147142      -3.02240491    
 H   -4.92827129      -1.98444664      -2.61400890    
 O    2.07112980     -0.771142244       1.32596076    
 H    1.50987196      -1.38605094       1.81152844    
 H    1.57251370       5.90031818E-02   1.29702830    
 O   -2.63606787       2.94412661      -1.65311146    
 H   -2.77894902       2.97398853      -2.60701656    
 H   -1.81105244       3.41698360      -1.46441507    
 O   -8.30669031E-02  -1.73439872      -1.71344280    
 H  -0.650526106     -0.990152717      -1.46413291    
 H   0.828672588      -1.42378688      -1.66494834    
 O   -4.11529112      0.414785504      -4.67216873    
 H   -4.82769585      0.163801491      -4.06948233    
 H   -3.43099952     -0.257557124      -4.56966066    
 O   -5.69492579      0.655112088     -0.374518096    
 H   -5.41466093       1.54400516     -0.129578888    
 H   -5.10792351       5.96005395E-02  0.114172056    
 O   -4.48067379       3.12225819      0.333666235    
 H   -3.84130168       3.10383940     -0.400116622    
 H   -4.87411451       3.99162579      0.333260268    
 O    5.39976805E-02  -2.34652948       2.63702559    
 H  -0.271883756      -2.79801702       1.83653080    
 H   0.175492495      -3.01758122       3.30278206    
 O   -1.55997074      -6.56194985E-02   2.21944618    
 H  -0.938463807      0.432135493       1.66662836    
 H   -1.06822789     -0.835483253       2.53027415    
 O   -2.56171250       2.62253189       2.40340114    
 H   -3.28516865       2.71058774       1.77089703    
 H   -2.37250996       1.68026674       2.49037790    
 O   -2.02786636      -1.22787654      -3.65273786    
 H   -2.26365042     -0.643129945      -2.90901470    
 H   -1.26137614      -1.70995367      -3.31888580    
 O   -3.67824149      -3.60733128      -5.43382093E-02
 H   -3.89946342      -3.33297276     -0.962324023    
 H   -4.24932098      -4.34074354      0.157896042    
 O   -2.17265177      0.176625192      -1.32491457    
 H   -2.29248548       1.13146663      -1.38824379    
 H   -2.76661873     -0.157656401     -0.641850471    
 O  -0.245460555       4.12436056      -1.08355999    
 H   0.367001802       3.42666292      -1.35332084    
 H  -0.186735421       4.19338751     -0.122239769    
 O   0.388724625       1.39240766      0.887041211    
 H   0.287730694       2.28076887       1.24925709    
 H   0.500028014       1.48727369      -6.85562864E-02
 O  -0.286557972       3.96060324       1.77465200    
 H   -2.20369999E-04   4.50969601       2.49919057    
 H   -1.13438118       3.56071711       2.04065990    
 O  -0.461986095       1.25216901      -4.09256887    
 H   -1.17769778       1.87209773      -4.27905369    
 H  -0.864265144      0.378807157      -4.12975073    
          69
 Energy    -248.01632609319893     
  O     -4.51242959     -1.73463636      1.00329260
  H     -4.28911499     -1.46183922      0.09703289
  H     -4.24556516      5.05084469     -2.85266859
  O     -1.20087270      4.64622133     -2.02757080
  H     -5.36947916     -2.14847039      0.95267543
  H     -0.35988294     -1.85890407     -1.86808017
  O     -3.55163238      2.01403931     -1.13571552
  H     -0.87826694      3.74065035     -2.08609995
  H     -0.65578814     -1.04363758     -0.59033145
  O      1.12120873     -0.68182432      3.51811357
  H     -0.86428811      5.02608552     -1.20329702
  H     -1.58556381      2.75792875      6.71457206
  O      1.78585288      5.28267361      1.97852740
  H     -3.60103402      2.12791197     -0.17870486
  H     -1.44462414      1.97693989      5.38568739
  O     -0.88789056      3.12866881      1.54665226
  H     -3.81350339      2.85728724     -1.52634601
  H     -2.70656978      7.28743628      2.68982839
  O     -1.31600863      0.44429077      4.59086070
  H      1.61940768      0.15560194      3.49424726
  H     -2.68482685      5.76023545      2.92055695
  O     -3.69317038     -0.79312187     -1.43677088
  H      1.65562893     -1.30751206      3.99946571
  H     -2.59597267      2.79287832      1.64048449
  O     -2.83918306     -0.00392167      2.28742599
  H      2.34454923      4.58888258      1.60744697
  H     -4.00775615      3.41154084      1.35769008
  O     -0.37499351     -0.64227119      1.16337611
  H      1.42868776      4.91107640      2.79617471
  H     -3.40506447      3.68184512      3.37697381
  O      2.36683435      1.70280021      3.43030186
  H     -0.78600928      4.00549696      1.14910245
  H     -2.56275353      3.91544531      4.64204583
  O     -3.90144032      4.66388259     -2.05259161
  H     -0.25601183      2.55048814      1.10450372
  H     -0.80212355      0.77868170     -2.05367719
  O     -0.82936433     -1.09371739     -1.54475226
  H     -1.93319125      0.23636776      3.87613871
  H     -1.80384773      1.87387247     -1.66600271
  O     -1.48606307      2.87040008      5.77345618
  H     -0.47895185      0.04022041      4.33785748
  H     -0.09079992      3.53171105      4.70017408
  O     -2.54849567      6.45476327      2.25199182
  H     -3.76471045      0.17079183     -1.42813135
  H     -0.06276276      3.47976131      3.16178218
  O     -3.55149717      2.60981115      1.66012220
  H     -2.75730136     -0.98441746     -1.56806857
  H     -3.89647959      5.62325474      1.11511229
  O     -3.06131612      4.37235641      3.95360501
  H     -3.21152217      0.86952399      2.11018355
  H     -4.33225356      5.01189961     -0.24431738
  O     -0.89029223      1.73533029     -1.95735348
  H     -3.46186236     -0.65919590      1.93986392
  H      0.38422100      1.72610595     -0.69625988
  O      0.47592772      3.69460457      3.93805797
  H      0.18088406     -0.79892376      1.93785983
  H      0.59037854      0.76423074      0.49905962
  O     -4.48430779      4.97546671      0.70864703
  H     -1.25316151     -0.41093070      1.50094618
  H      2.38444185      2.44899901      0.58601875
  O      0.92479710      1.57532764      0.09248729
  H      1.75753789      2.39060731      3.73337306
  H      3.85600658      2.86422193      0.35573922
  O      3.13193161      2.93699625      0.97230915
  H      2.80617103      2.07375894      2.65694166
  H     -1.15532193      6.06141885      1.06962386
  O     -0.49410735      5.65026000      0.49730679
  H     -2.93044596      4.73340425     -2.09775901
  H      0.35763027      5.66905659      0.96170165
          69
 Energy    -248.01619938581501     
  O     12.18744221      9.78028933    -15.19089235
  H     12.85378823      9.36196933    -15.74882422
  H     21.15435074      8.79375628    -14.18619680
  O     16.68059321      6.54029174    -13.20937970
  H     12.49816731     10.68079842    -15.03827569
  H     14.88486336     10.47249554    -16.94829167
  O     17.22814911     10.66166842    -11.42280753
  H     15.95501118      6.49995566    -12.57160875
  H     16.01456992     11.48548328    -16.59419085
  O     17.81375891     11.81613383    -16.11788936
  H     17.40936958      6.99591255    -12.76501169
  H     16.27096981      8.03759358    -14.09132113
  O     13.59351314      5.95506490    -16.07627758
  H     17.02239761     10.56897687    -10.48469752
  H     17.02566599      9.02507061    -15.01101378
  O     13.79230472      9.81155420     -8.70717651
  H     16.38502020     10.75171671    -11.88995396
  H     11.52174045      8.90742882    -13.86668478
  O     14.67737115      6.75607417    -11.28928897
  H     18.24430812     12.56761078    -16.51845284
  H     10.26638088      8.42914877    -13.09507330
  O     14.92144150     10.69736668    -12.94642535
  H     18.11267446     11.78521908    -15.19113926
  H     17.57338549      7.49950446    -10.33908702
  O     17.00425869      7.53969247    -17.61090093
  H     13.35844540      5.99049754    -15.13169085
  H     16.76265235      8.23492299     -9.26595500
  O     18.58289572      9.12179937    -16.07834119
  H     13.02795445      5.29911984    -16.47541465
  H     13.50998237      6.17604539    -12.68950644
  O     16.43208415      5.50740137    -15.83104699
  H     13.52468178      9.61523216     -9.61983534
  H     12.27570622      6.85973677    -13.31165115
  O     20.26392918      9.02949937    -13.93932040
  H     13.18602607      9.33316159     -8.14684139
  H     18.29096863     11.35216982    -12.79765889
  O     15.07258090     11.40532072    -16.79276934
  H     14.19386172      7.59254788    -11.27695696
  H     19.43495756     10.77127664    -13.64515978
  O     16.18880187      8.88347157    -14.55361916
  H     15.38735535      6.85236287    -10.63700597
  H     18.04469505      9.02326065    -11.75541641
  O     11.21924823      8.41246146    -13.08325680
  H     14.44976623     11.33935764    -13.48934253
  H     19.21857456      8.37530205    -12.51865803
  O     16.86218990      7.37811912     -9.69710865
  H     15.35403724     10.07244674    -13.54979946
  H     16.81574631     10.45821958     -7.93425057
  O     12.93007836      6.16593979    -13.46048743
  H     16.92008093      6.75072657    -17.05065779
  H     15.53212270     10.04101568     -8.68976753
  O     18.80347656     11.49948115    -13.60321998
  H     16.12173261      7.91881309    -17.63502716
  H     12.47611212      8.96839050    -11.85146079
  O     18.50580221      8.18368293    -11.89777810
  H     18.39206723     10.04185090    -16.30005925
  H     13.81796677      9.75484719    -11.89349743
  O     16.50108345     10.09280853     -8.75717528
  H     18.12967529      8.54974632    -16.71697294
  H     13.21398852     13.18071793    -14.89850457
  O     13.25537085      9.20147878    -11.33229274
  H     15.47147817      5.51737276    -15.91989549
  H     14.06121350     12.05889339    -15.55120151
  O     13.49953345     12.27869900    -14.78517669
  H     16.60784970      5.72346104    -14.90572668
  H     14.04856795      7.68163228    -16.57367501
  O     14.38445047      8.58755006    -16.61806575
  H     19.72256126      8.96243185    -14.74553944
  H     15.00865722      8.67003268    -15.87869963
          69
 Energy    -248.01607056333114     
  O     -5.27153215      4.35127788      1.71942720
  H     -6.17566544      4.54524521      1.95198335
  H     -0.40109276      2.78593313      4.59265203
  O     -3.62381681     -2.13521568      0.07204221
  H     -4.71286542      4.79656399      2.38107336
  H     -2.86243884      5.03156584     -3.31573608
  O      0.12439346      4.27668801     -1.60574140
  H     -4.27422217     -2.79533670     -0.15184940
  H     -2.99757186      4.97228649     -1.77438222
  O     -2.73717928      1.89324530     -1.72666286
  H     -3.38925227     -1.67983490     -0.75660238
  H     -0.13900539     -1.69363980     -1.05304612
  O     -0.45808577     -0.18458473      5.24515329
  H     -0.75544676      4.42292739     -1.97545164
  H      0.70133996     -1.80906909     -2.34794326
  O      2.03686669      4.09577278      1.97849301
  H      0.22431487      3.32114357     -1.52205789
  H     -2.00840987      3.35360694      3.45278489
  O     -1.61580626      3.32679932      1.69028155
  H     -2.73669079      2.77005510     -2.12844375
  H     -2.61270421      2.53076084      4.61987054
  O     -3.14996540      0.79778070      4.76996791
  H     -3.23850286      1.96249045     -0.90004367
  H     -1.55856368      5.08787650      1.52230183
  O     -2.75020668     -0.86348679     -2.16522368
  H     -0.07121694      0.69774869      5.10626601
  H     -0.68477935      6.27268327      1.08824490
  O     -3.32604356     -0.19983059      2.09211548
  H     -0.03177419     -0.55668042      6.01232336
  H     -4.49830858      2.76914638      1.12949105
  O     -0.55899793     -0.50908277      2.46371940
  H      2.13556555      4.46016256      2.85639475
  H     -3.84547662      1.33125645      1.28079054
  O      0.43548568      2.30014397      4.52913715
  H      1.73249000      4.82190484      1.41455269
  H     -2.86150774      5.97894586      2.89075513
  O     -2.55493341      4.56701170     -2.54222855
  H     -0.83938591      2.77179644      1.56022104
  H     -3.12443264      4.92164043      3.98540127
  O      0.10187807     -1.23547325     -1.87872821
  H     -2.37379912      2.89618470      1.27465724
  H     -0.98899490      1.60925727     -1.29417679
  O     -2.15818888      3.36024086      4.41066119
  H     -3.39085285      0.40155986      3.92324389
  H      0.14042226      0.56606190     -1.44586460
  O     -1.55252357      6.05663424      1.44396718
  H     -2.33828967      0.35453583      5.04547625
  H     -4.32638369      5.23721166      0.24457317
  O     -3.91003518      2.11999221      0.72358004
  H     -1.80349568     -1.03192793     -2.24034591
  H     -2.95416258      5.93574202      0.23461317
  O     -3.55727954      5.58951243      3.43552946
  H     -2.84336547      0.09882429     -2.13615219
  H      1.30021792      2.54287811      1.56947269
  O     -0.04622157      1.45936563     -1.13059888
  H     -2.36639305     -0.25805437      2.20653548
  H      0.53882160      1.63626253      0.54071314
  O     -3.67573436      5.64156686     -0.33897716
  H     -3.55932628     -0.89726966      1.46611408
  H     -1.73295665     -2.46979706      0.34965224
  O      0.70830538      1.77998009      1.48482794
  H     -0.47602276     -0.53457727      3.42533738
  H     -0.60744939     -1.82815377      1.18138078
  O     -0.77355656     -2.38940137      0.41131115
  H     -0.04754213      0.24866010      2.15027858
  H      1.52817036      6.72301064     -0.22738765
  O      1.03242315      6.04434117      0.22302835
  H      0.63776650      2.23859934      3.59178167
  H      0.72262753      5.42270222     -0.46169425
          69
 Ord_Energy   -248.015900    
 O    4.36806631      0.558870137      -1.42408645    
 H    3.86087561     -0.259958535      -1.34142339    
 H    4.70402527      0.744051695     -0.539619148    
 O    2.38284683      -3.03127241       1.48490345    
 H    2.47746754      -3.95890331       1.68363917    
 H    1.43139768      -2.82803655       1.53871620    
 O  -0.636346936       3.43598819      -4.58342743    
 H   0.281602293       3.74835825      -4.68427181    
 H   -1.04603672       3.49963021      -5.44202900    
 O    2.70012808       2.29271555      -2.72911382    
 H    1.86598146       1.81352723      -2.82178640    
 H    3.35441184       1.68871880      -2.34888959    
 O   -1.90639031       1.47525549       2.33295274    
 H   -1.83932829       1.34376490       1.38049150    
 H   -1.21447349       2.11427689       2.54961395    
 O    2.49834752      -1.45032299     -0.846867561    
 H    2.59035420      -2.13017893     -0.169573590    
 H    2.11904097     -0.684204102     -0.388045639    
 O   -1.36891842     -0.815871477       3.66843748    
 H   -1.95492995     -0.969727993       4.40432405    
 H   -1.67903709      -7.53141986E-03   3.22176242    
 O  -0.241919920      -2.34546876       1.56631136    
 H  -0.685979664      -1.91390765       2.30617595    
 H  -0.761522174      -2.14855170      0.778189123    
 O    1.94030082       4.27585411      -4.57680988    
 H    1.96987975       5.07514572      -4.03650999    
 H    2.37990975       3.58666158      -4.05864716    
 O  -0.485726982       3.80900884      -7.19602481E-02
 H  -0.769099772       4.37330103     -0.808144748    
 H  -0.831447065       2.92673349     -0.250904471    
 O   -1.10567260       1.05464864     -0.420450330    
 H   -1.47341299      0.173131689     -0.567292392    
 H  -0.212182596      0.920263827      -5.92733212E-02
 O    5.06771994       1.05703330       1.32415712    
 H    4.58686876      0.373845845       1.82536221    
 H    5.95756626       1.07211196       1.66660702    
 O   0.308303058      -1.55157042      -2.57999825    
 H    1.13625026      -1.62566209      -2.08470154    
 H   0.292329401     -0.656017363      -2.94169164    
 O    1.38964987      0.657334566      0.596688509    
 H    1.25354016      0.334091485       1.49675453    
 H    1.94198024       1.44249415      0.696306288    
 O   -1.70492399      -1.64373887     -0.798139989    
 H   -1.00419235      -1.70083582      -1.47442436    
 H   -2.44835186      -2.14237761      -1.12595177    
 O   0.408919394       3.13589787       2.54335451    
 H    1.08709196E-02   3.53224754       1.75518763    
 H    1.35687864       3.13192487       2.34378600    
 O    1.15217733      0.448106378       3.41653323    
 H   0.898146272       1.37199414       3.29940343    
 H   0.349895328      -3.50020416E-02   3.64999866    
 O    1.75662124       6.33003855      -2.58737898    
 H    2.19087267       7.14673424      -2.35546160    
 H    2.00437546       5.67830133      -1.90953016    
 O    2.94741845       2.88204527       1.42082465    
 H    2.90615368       3.45299578      0.641102195    
 H    3.77523971       2.38608670       1.39945352    
 O   0.111441180       1.23362947      -3.01574588    
 H  -0.242885545       1.92662346      -3.58836675    
 H  -0.383010775       1.26608944      -2.18827581    
 O    2.18217063       4.22927237     -0.861945629    
 H    2.39939332       3.55143619      -1.52130699    
 H    1.26715994       4.07992840     -0.582588911    
 O  -0.909814119       5.24622869      -2.36076760    
 H  -0.110060729       5.77120018      -2.48904824    
 H  -0.954192698       4.65282488      -3.12054682    
 O    3.60355139     -0.756256819       2.72198844    
 H    2.83647752     -0.335515797       3.13296938    
 H    3.27906179      -1.58010960       2.33870769    
          69
 Energy    -248.01584120696089     
  O     15.25611965     10.23963189    -16.15585421
  H     15.77525286      9.71276786    -16.78960427
  H     20.04806216      4.40745360    -17.28254551
  O     13.03112879      3.82906648    -15.94356244
  H     14.98780420     11.03068884    -16.61670202
  H     17.64062879      6.78618782    -16.02652529
  O     17.95575201      6.58776743    -12.15512453
  H     12.12118744      3.60538352    -16.12386019
  H     18.89735066      7.54266902    -15.50207508
  O     16.79685235      4.47977143    -18.75287940
  H     13.20959343      4.66955728    -16.40136059
  H     15.31400634      6.06302037    -16.13638425
  O     13.65817161      6.90609537    -10.10042019
  H     18.64503153      7.07940807    -12.61119750
  H     16.35910567      5.06972156    -15.54531038
  O     13.95312278      4.47763263    -13.35481692
  H     17.12349423      6.96009437    -12.49490558
  H     13.06990296      8.08302908    -14.60157013
  O     15.77171865      7.59261236    -13.36292083
  H     17.62911954      4.45576527    -18.27142822
  H     13.85788616      9.00794433    -15.58087644
  O     17.14366824      3.38345860    -15.34794849
  H     16.23308269      3.79959470    -18.35330412
  H     15.03167740      3.52468219    -10.23622183
  O     13.42025607      4.08461805    -10.63196388
  H     13.40248677      7.41403532     -9.33476393
  H     16.06855871      2.61607673     -9.53087007
  O     19.39882078      8.39935589    -13.92280539
  H     14.61331162      6.73811072    -10.01491678
  H     14.16983219      6.42769918    -17.91602587
  O     15.29802746      2.66802963    -17.28754268
  H     13.68444170      4.15455796    -14.22371013
  H     13.46605790      6.99316201    -16.61865766
  O     19.15005493      4.53755324    -16.98898315
  H     14.91047677      4.38459569    -13.27791156
  H     17.27597644      4.91422865    -12.54846942
  O     18.52154497      7.10855841    -16.27778288
  H     15.86145342      7.05282746    -14.16254002
  H     16.58683007      3.71352461    -11.85677150
  O     16.09942017      5.99880947    -15.57977889
  H     14.84853584      7.53341194    -13.09437779
  H     16.29007803      5.24299759     -9.82029323
  O     13.17631733      8.32653100    -15.52853937
  H     17.97645093      3.66255090    -15.74884421
  H     16.98818431      6.43067646    -10.50236777
  O     15.98495652      3.36212221    -10.11793485
  H     17.18276451      3.51266315    -14.39007359
  H     15.91725967      5.89439692    -19.14969758
  O     13.74135784      6.18771294    -17.08600642
  H     13.45537729      4.10952296    -11.59894572
  H     15.19522529      6.71985428    -20.24225030
  O     16.78685010      4.09756258    -12.71926705
  H     13.33781707      5.00528601    -10.35467459
  H     13.31015451      6.19805710    -13.09983092
  O     16.29742934      6.20737194     -9.86675171
  H     18.64786868      9.02045590    -13.96322159
  H     13.14753096      7.15925337    -11.90292535
  O     15.38008993      6.69321924    -19.30743420
  H     20.17677472      8.92477335    -13.75561272
  H     16.60038230     10.20136872    -14.78582188
  O     13.11529096      7.11889622    -12.86782428
  H     15.94585702      2.73061110    -16.57000016
  H     16.61115786      9.15525453    -13.68402519
  O     17.13752274      9.88054991    -14.05285411
  H     14.45952944      2.92681849    -16.89026860
  H     16.29987231      8.05481890    -18.39555085
  O     16.73974790      8.70830531    -17.83750973
  H     19.05529625      5.48233160    -16.78094824
  H     17.48092720      8.25435960    -17.41897180
          69
 Energy    -248.01568296135275     
  O     16.18938302      6.26016672    -13.05449743
  H     16.47070499      6.36542947    -13.97188212
  H     15.78556711      7.97245284    -18.50339618
  O     18.95156256     10.08898648    -10.97190503
  H     15.23099596      6.15170615    -13.08142226
  H     16.35019066     11.18428250    -12.77633806
  O     18.47139760     12.89682863    -14.07507814
  H     19.37492633     10.26422285    -11.82080167
  H     16.31937816      9.64402047    -12.48271490
  O     13.31584800      6.24569165    -13.21717887
  H     18.32049807      9.36902971    -11.10834724
  H     15.71584995     10.84488798    -17.23656272
  O     15.15413401     11.20846640     -9.19059800
  H     18.03690819     12.96261814    -14.93731439
  H     14.48017383     10.95738882    -16.30606836
  O     12.90537529      8.33191148    -11.54061727
  H     17.79222453     13.06211164    -13.41060375
  H     16.15310707      8.30584602    -10.65617031
  O     14.17462612      8.59735367    -18.21027650
  H     12.72309379      5.53851177    -12.97774436
  H     16.66168487      7.54494704    -11.92254356
  O     14.76396580      8.55471242     -9.42464331
  H     13.13731263      6.98322868    -12.60688392
  H     11.40297615     11.01316018    -12.93777663
  O     16.76695548      7.07998813    -15.72598643
  H     14.64853981     11.76523002     -9.79400176
  H     12.83582824     10.72040327    -13.44269347
  O     14.00822862      7.57669561    -15.57832854
  H     16.06943527     11.51280914     -9.24467935
  H     16.99222901     12.71647051    -11.20556676
  O     18.09320900      9.34797415    -14.84976008
  H     12.70412596      9.22719986    -11.83054384
  H     15.58234095     12.96963158    -11.80061154
  O     16.71558527      7.68167222    -18.50790133
  H     13.50230706      8.40978891    -10.78523729
  H     19.53531647     11.59130673    -13.71996105
  O     16.14374523     10.32019666    -13.15209541
  H     14.23972682      9.54238671    -18.01841523
  H     20.97433433     11.01863014    -13.68414990
  O     14.81015393     11.18350591    -17.18580431
  H     13.92025878      8.17775605    -17.37743607
  H     18.42468734     12.54981566     -9.08835355
  O     16.80630706      8.32483252    -11.36521786
  H     14.88865893      9.51032239     -9.28215864
  H     18.26029375     11.37222159    -10.08206064
  O     12.31347540     10.96190789    -12.65668750
  H     14.71702429      8.14935053     -8.56290964
  H     17.36140269      9.39332936    -17.92478627
  O     16.51336137     12.86942539    -12.03202773
  H     17.30856034      7.80871110    -15.38781323
  H     17.77920985      9.93027503    -16.53915852
  O     20.06369054     10.79807358    -13.50974188
  H     16.83807582      7.11753648    -16.68762470
  H     13.26890148     12.15908521    -11.69193645
  O     17.79344853     12.11368713     -9.65345422
  H     14.96012396      7.40117928    -15.61408942
  H     13.24340701     13.53673894    -10.99511534
  O     17.50700534     10.20535491    -17.42680046
  H     13.66109826      7.05360943    -14.84542289
  H     16.23632657     12.78654384    -16.69030360
  O     13.80171924     12.78341014    -11.17486107
  H     17.38199790      9.73165325    -14.31608368
  H     17.53869946     12.07336211    -16.99035992
  O     17.18526795     12.86125728    -16.55454925
  H     18.91047647      9.69501576    -14.47404713
  H     13.86959326      9.28305742    -15.00637255
  O     13.92166199     10.19140418    -14.67868843
  H     16.86142106      7.23694825    -19.33815415
  H     14.73048442     10.24982223    -14.14498854
          69
 Energy    -248.01557523700927     
  O     11.08597695     11.17894402    -15.21144068
  H     11.01898196     12.08982142    -14.88944904
  H     17.31956828     13.53253488    -17.74806412
  O     14.30489070      8.72046032    -10.26932803
  H     11.50231936     11.22665346    -16.08179623
  H     13.41109587     15.17685737    -11.93978917
  O     18.40792150     13.34289363    -12.64075102
  H     13.50636000      9.10508337    -10.66513749
  H     12.49449745     13.93887363    -11.69620642
  O     12.01807381     12.58422996    -10.57130445
  H     14.06575801      8.48476636     -9.37642948
  H     11.98646582     14.18879629    -15.77402099
  O     12.21525920      9.95846630    -11.55638066
  H     18.27267029     12.75340790    -13.40629444
  H     12.68246861     13.33740056    -16.85127284
  O     13.43957441     10.38273350    -13.97088441
  H     19.34949025     13.44072000    -12.52898584
  H     15.24187185     12.48445928    -12.56614905
  O     14.87097228     15.93878013    -11.10074009
  H     12.12928278     11.66967933    -10.86592125
  H     14.00815664     13.36169979    -12.95296380
  O      9.78121915     10.25992463    -12.81669404
  H     12.83462883     12.83405437    -10.11189601
  H     17.72332805     12.12842940    -15.56720825
  O     15.27757923     14.31847721    -15.40435676
  H     11.29636261      9.89906192    -11.85299395
  H     17.27534900     10.99274754    -14.62061016
  O     15.22435281     10.72784779    -17.02251853
  H     12.73470107     10.05002218    -12.36955588
  H     13.56145285     11.20825779    -17.31859788
  O     10.88184920     13.78738907    -14.17847257
  H     12.62124815     10.56392700    -14.44932463
  H     12.48122368     11.30959840    -18.41696288
  O     16.96512646     12.97729714    -17.05931138
  H     13.85328980     11.24119977    -13.78293656
  H     15.78745671      8.98451381    -11.16871564
  O     12.79250484     14.57170915    -12.36726699
  H     14.99368530     16.82455519    -10.77030276
  H     17.28007452      8.61883460    -11.33329313
  O     12.71397666     14.19392990    -16.40616422
  H     15.51611392     15.81733665    -11.82014913
  H     16.31142850      9.34393938    -13.56074809
  O     14.63284511     12.70217712    -13.28271236
  H     10.09976828     10.42172006    -13.71459632
  H     15.06972896      9.78523731    -14.33579979
  O     17.90604338     11.71856569    -14.71312232
  H      9.51217107     11.12317228    -12.47940967
  H     17.16950226     12.46242596    -11.59460500
  O     12.66441300     11.53434067    -17.50823150
  H     15.15663765     13.66829707    -14.69512731
  H     16.53630826     11.05856816    -11.34282716
  O     16.60157959      9.20861115    -11.65307068
  H     14.40329438     14.42984059    -15.80510828
  H     10.33821274     12.85154316    -11.25945423
  O     16.02056236      9.62112159    -14.43739576
  H     15.54589362     10.21798988    -16.27102828
  H      8.86799464     13.31429192    -11.19912014
  O     16.39741201     12.00724773    -11.23213707
  H     15.84952014     11.45455107    -17.13939750
  H     17.25704380     14.82134966    -12.99343656
  O      9.52271960     12.93476567    -11.78046691
  H     10.20939750     13.57523689    -13.52059280
  H     16.17289452     15.26656862    -13.99959606
  O     16.58688380     15.49621039    -13.15782887
  H     11.60171029     14.17634373    -13.65859077
  H     14.66353637     14.31227853    -10.03364769
  O     14.48650442     13.42109914     -9.70938112
  H     16.37831407     13.53497555    -16.51802733
  H     15.17812453     12.86693317    -10.09564934
          69
 Energy    -248.01556440808164     
  O     -5.62839778      3.16049211      2.35161854
  H     -5.65115470      3.55519080      1.45978821
  H      0.42063085     -1.72860765     -0.14199317
  O     -1.76445532     -2.12559868      2.79425000
  H     -6.52790292      2.95743033      2.59143634
  H     -1.33020214      3.46014307      3.03315017
  O     -1.69391953      3.58378361     -2.18770486
  H     -2.11332159     -2.07554719      1.88633507
  H     -1.52105490      2.53262242      4.23975809
  O     -3.28935051      0.58169646     -0.80446896
  H     -2.11566559     -2.92538276      3.17698132
  H     -3.95694514      7.27997300      0.92104251
  O      1.12974331      5.92174788      1.20750114
  H     -1.24718885      2.73192468     -2.11784167
  H     -3.62415876      5.97267368      1.67735998
  O     -1.23971331      3.30815225      1.29430684
  H     -2.63153231      3.37504517     -2.27693514
  H     -2.69345683      2.29437032      1.49542630
  O     -1.62513345      0.58606799      3.63715569
  H     -3.37547277      0.89064036      0.11047317
  H     -4.16484882      2.10181774      1.99367128
  O     -2.50275897     -1.98053059      0.16689230
  H     -2.36412885      0.71338198     -1.06228767
  H     -2.98172987      4.57082887      3.60524594
  O      1.08056872      0.77788998      2.81537816
  H      0.33466447      5.89694243      0.65795694
  H     -4.41502384      4.43236407      3.05589215
  O      2.38397451      3.12930573      3.41957169
  H      0.85129564      5.81196469      2.12454700
  H     -0.00901773      1.34517397     -0.92313033
  O     -4.41952320      2.67309654     -2.16619343
  H     -0.44710540      2.84225943      0.99948729
  H     -0.37957443      0.00245125     -1.56250746
  O      0.07538373     -1.76746959     -1.05250952
  H     -1.29569692      4.11260134      0.76496770
  H     -0.15835633      4.68725510      4.12217429
  O     -1.45749920      3.46189750      3.99815660
  H     -2.27376651      0.91737231      2.99870708
  H      0.57692340      5.89632814      4.73948032
  O     -3.65529065      6.38365380      0.79495803
  H     -1.65238230     -0.37335429      3.53135396
  H     -5.08564978      3.80232696     -0.82902715
  O     -3.36697740      1.63293908      1.72114749
  H     -2.95105648     -1.20402671     -0.18893976
  H     -4.82196808      5.05452407      0.05481918
  O     -3.69555819      5.06429477      3.18506687
  H     -1.67330206     -2.03910350     -0.32448166
  H      1.09613723      1.48826583      1.17000302
  O     -0.62477176      0.93617168     -1.55023901
  H      1.55600969      1.54132741      3.17476991
  H      1.73303620      2.66063099      0.36547273
  O      0.57889650      5.30528762      3.99023476
  H      0.18106480      0.78274250      3.16831458
  H      0.00608840     -1.98087637      2.05041855
  O     -5.41560978      4.30455684     -0.07368754
  H      1.85387886      3.87922352      3.71321032
  H      1.08517221     -0.89485027      2.00756672
  O      1.02063576      2.00928260      0.35709221
  H      2.74293303      3.39279390      2.56294987
  H      3.72330143      4.32783433      0.28567403
  O      0.79604170     -1.70599797      1.56882038
  H     -4.10244132      1.86942148     -1.71964829
  H      2.34027073      4.74223224      0.84739770
  O      2.95059092      3.99111021      0.72987271
  H     -4.88912448      2.38700308     -2.94595344
  H     -2.06805205      5.92722380     -0.05264243
  O     -1.21816660      5.54836538     -0.31094300
  H      0.60546588     -2.40898712     -1.51781217
  H     -1.36098448      4.95347378     -1.06408013
          69
 Energy    -248.01545617155253     
  O     12.38604117     13.09396371    -11.90790574
  H     12.21102885     12.23135483    -11.48867888
  H     18.01087022     12.88798533    -17.14877201
  O     20.20192113      8.16152672    -11.22985547
  H     11.65648719     13.66471386    -11.68176248
  H     12.81013176      9.06187729    -15.23081260
  O     17.61399686     11.35680494    -12.35332130
  H     20.89631228      7.75577752    -10.71653165
  H     13.61990559      8.02481555    -14.44559031
  O     11.66155544      8.29995150    -12.09259705
  H     20.63759784      8.70380971    -11.90949513
  H     15.11518438      9.57409454    -13.34943130
  O     16.31928373      6.99175263    -11.58000189
  H     17.55159702     12.29569984    -12.14060483
  H     14.55108764     11.03902846    -13.40877468
  O     13.87127423      7.49888239    -10.44245164
  H     16.73129389     11.07120402    -12.63643841
  H     13.41510602     11.22725784    -15.64403622
  O     18.62466693      6.72184769    -13.20438524
  H     12.00303538      8.33781099    -13.00326675
  H     12.89474772     10.85701903    -17.05192481
  O     13.63879819     12.35658828    -14.31064599
  H     10.85952467      7.78464203    -12.12360050
  H     21.99492102      9.41252204    -13.91056908
  O     17.79938250      8.44342945    -15.21254500
  H     16.78736500      7.75325023    -11.21033629
  H     20.61613369     10.07559669    -13.77703781
  O     17.68030508      9.26138041    -10.53039702
  H     15.45754525      6.96360517    -11.13995061
  H     16.62089558     13.39481787    -15.09185291
  O     16.24819001     10.30444156    -16.75687562
  H     13.09821408      7.65995305    -10.99729118
  H     16.38086370     13.95165164    -13.66416061
  O     17.76226943     12.49165296    -16.31779915
  H     14.17844971      8.37093462    -10.16946709
  H     16.26974924     13.77536283    -11.34731212
  O     12.71958184      8.35612078    -14.58138998
  H     17.82672494      6.57085833    -12.68023776
  H     17.45493910     14.77080204    -11.41185671
  O     15.09523085     10.42834857    -12.89905067
  H     19.24942908      7.12081260    -12.58842517
  H     14.96311126     12.18083915    -10.23779922
  O     13.40005000     10.52268885    -16.31451423
  H     14.41912857     12.92533088    -14.41730198
  H     14.04968820     13.18807166    -10.96950241
  O     21.30255830      9.60105234    -13.28151776
  H     13.13091940     12.68112148    -13.55752944
  H     18.85149363     11.45785253    -15.19077289
  O     15.94912921     13.76479181    -14.50608309
  H     18.30400359      9.24316747    -15.01699458
  H     18.66580328     11.01784187    -13.72185109
  O     17.04547431     14.04405058    -11.87281980
  H     18.15642257      7.75944233    -14.62504430
  H     11.92527698      9.89190172    -11.19046344
  O     14.90287754     13.09818013    -10.52708729
  H     17.71112637     10.02093386    -11.13078487
  H     13.01234491     10.50507453    -10.28301392
  O     19.17393982     10.83600911    -14.52822254
  H     18.55613382      8.85996035    -10.59525755
  H     14.92438174     10.25618658    -11.14338889
  O     12.16995647     10.69463995    -10.71017627
  H     16.66611128      9.52771938    -16.36547367
  H     15.87208800      9.89169789     -9.98514301
  O     14.97596449     10.19531650    -10.17311724
  H     15.29844722     10.23814977    -16.60708534
  H     16.17953410      8.06022122    -14.51490056
  O     15.36887109      7.90702178    -14.01185497
  H     17.18762587     11.73253365    -16.52979489
  H     15.63637522      7.49877779    -13.17662295
          69
 Energy    -248.01505261638226     
  O      6.71528977     -2.41285551     -3.09481824
  H      6.63197962     -1.90750994     -3.91311611
  H     10.73679298     -1.34848305     -1.12926226
  O      7.69562736     -2.24669340      1.06940098
  H      6.86110886     -1.74677228     -2.40349008
  H     11.32275082     -2.50833865     -7.95775705
  O      7.16529480     -0.53216821     -1.16358571
  H      7.38446126     -2.95329466      0.47409139
  H     10.97153643     -3.82202336     -7.23042103
  O      8.15957870     -2.10454406     -7.33804394
  H      7.23133930     -2.35709944      1.89441039
  H     10.60807446     -5.20054598     -1.67966592
  O      7.05590509     -4.12352575     -0.79928522
  H      7.36347127     -0.94283829     -0.31389146
  H      9.42512744     -4.64589824     -2.52055258
  O     14.05396047     -2.76936741     -6.29168649
  H      7.82248911      0.15883853     -1.30754158
  H      7.97766517     -3.51168472     -3.76002976
  O      6.81426394     -0.77850680     -5.39223303
  H      8.87619923     -1.65014843     -7.79839806
  H      9.44818097     -3.26152870     -4.16023208
  O     12.46441444     -5.43874857     -1.88347051
  H      8.47390350     -3.00254026     -7.18248813
  H     13.41397920     -3.54038945     -4.74582074
  O      9.32362007     -4.64099313     -6.67004252
  H      6.77926250     -3.65736235     -1.59895264
  H     12.07222545     -3.18343440     -4.07121968
  O     10.67486005     -2.05896506     -4.19758699
  H      7.88773141     -4.56282432     -1.01768185
  H     12.14036285     -2.98490108      0.17406770
  O     10.25691424     -2.64220917     -0.00370799
  H     13.23201603     -2.96238275     -6.77914853
  H     12.95715186     -4.05538529     -0.55013316
  O     11.04710979     -0.70987203     -1.78876454
  H     14.77695665     -2.97385620     -6.87821416
  H     10.63634004     -0.25724751     -9.10057289
  O     11.71192770     -3.28618539     -7.53728700
  H      7.27542779     -1.25959083     -6.10172433
  H     10.73788900     -0.48523913     -7.57098015
  O      9.70594059     -4.86305750     -1.61999963
  H      6.04976335     -0.37059854     -5.79215588
  H     10.43207741      0.52390350     -5.49308251
  O      8.77327947     -3.95635054     -4.08377000
  H     12.66052048     -4.88658872     -2.65992936
  H     11.97685874      0.12666029     -5.54982818
  O     12.88235520     -3.70348897     -3.95712022
  H     12.97038972     -6.24155001     -1.98120440
  H      9.94597235      0.64783639     -1.78589582
  O     13.04476704     -3.22575172     -0.06599784
  H      9.00118069     -5.50483219     -6.91514246
  H      9.57063062      2.09388677     -1.38212192
  O     10.48419251     -0.90208733     -8.41575979
  H      9.09399525     -4.51261055     -5.73421288
  H     13.50433764     -2.29791894     -2.85358965
  O     11.12101217      0.06210937     -5.99649140
  H     10.69618271     -1.55392504     -3.37356166
  H     13.62396015     -2.02684177     -1.35684085
  O      9.23352531      1.31056152     -1.80925871
  H     10.78093190     -1.42771638     -4.91881588
  H     13.85018861     -1.06896311     -5.34612717
  O     13.65613581     -1.58487031     -2.21863878
  H     10.04994997     -3.41052301     -0.55542781
  H     13.75128876     -0.52647240     -3.90757468
  O     13.59612290     -0.29311107     -4.82970262
  H      9.46052333     -2.44739395      0.50413992
  H      8.20990692      0.42456435     -4.81084285
  O      8.96712236      0.99468346     -4.63049204
  H     11.99378695     -0.86040915     -1.90959090
  H      8.96179724      1.17506728     -3.68352352
          69
 Energy    -248.01493118684238     
  O     11.12301809      9.05523871    -13.41481009
  H     11.22045002      9.82801620    -12.84755185
  H     16.54361180      8.55891895    -16.41323311
  O     16.83546769      8.30744082    -14.69954793
  H     11.50090839      9.30835536    -14.26859390
  H     13.99197252     12.96923294    -13.38248121
  O     16.63057565      9.83921942    -10.68634950
  H     16.54179013      7.52325105    -14.21379050
  H     13.06991979     12.85305510    -14.60202736
  O     15.74545151     12.52565792    -13.04964830
  H     17.45517232      8.78368873    -14.13231517
  H     15.11695814     10.86731332    -13.64964436
  O     13.61342021      7.74793184    -17.09160008
  H     15.67807583      9.91364246    -10.84327081
  H     15.47004920      9.43198131    -14.17617671
  O     16.62206279      7.22027946     -9.84203986
  H     16.76445236      8.96486428    -10.29445636
  H     11.57422082      7.41848203    -13.02636657
  O     15.99015427      6.20217049    -13.16074619
  H     16.04712663     12.62831804    -12.13588549
  H     11.07799310      5.97895730    -12.76343838
  O     13.91796622      9.77127057    -11.28050664
  H     16.53206052     12.55141931    -13.60701322
  H     19.46467901      8.54039030    -12.46796076
  O     17.97409549     12.06710470    -14.67811028
  H     13.68201773      7.06413271    -16.40700848
  H     20.81889579      8.08740117    -11.90165536
  O     18.29041551      5.67966041    -11.61587413
  H     14.51159906      8.04148250    -17.27979908
  H     13.07304166      6.12709866    -14.29538599
  O     16.15111272     11.54771263    -16.59404312
  H     15.73081566      7.00417593    -10.14662811
  H     14.58490979      5.90229540    -14.42806826
  O     16.30030153      8.80152810    -17.32377496
  H     17.21580931      6.63668204    -10.32868420
  H     16.60787540     12.91303307     -9.59530241
  O     13.06073908     12.96839344    -13.64518010
  H     16.77518943      5.89963194    -12.68900078
  H     16.80320941     11.61259591    -10.39298133
  O     14.75749458      9.99120405    -13.84519124
  H     15.35811786      6.49741879    -12.48909766
  H     17.71589209      9.91965615    -12.17319383
  O     11.86727267      6.50867597    -12.83957755
  H     13.13816420     10.33513676    -11.24292070
  H     18.26655402     10.66197181    -13.44536994
  O     19.97182423      7.75991545    -12.19409534
  H     14.16559595      9.74613280    -12.21986974
  H     12.85977102     12.62694273    -17.17410315
  O     13.77499546      5.99292034    -14.94353181
  H     17.35748620     11.87801832    -15.40972046
  H     13.01798691     11.41002382    -16.23332499
  O     16.74631553     12.57821425    -10.47767866
  H     18.61970696     12.68265541    -15.01487801
  H     14.00670614      7.95996701    -11.14354480
  O     18.31875190      9.84919443    -12.92812550
  H     18.93137954      6.37879909    -11.83019561
  H     13.32292956      6.69670724    -11.68808054
  O     13.36576146     12.29691325    -16.43583343
  H     18.79169174      4.88530818    -11.45084320
  H     11.06220647     11.95630760    -11.40888346
  O     14.11975851      7.00301219    -11.23596004
  H     15.23484353     11.84690348    -16.56248423
  H     12.14504673     11.98776197    -12.50951209
  O     11.70283356     11.41290791    -11.85970383
  H     16.14066042     10.65038402    -16.95040847
  H     12.87426882      9.08099428    -16.21466082
  O     12.65162642      9.81534326    -15.62250003
  H     16.93727016      8.38333501    -17.89817506
  H     13.36055858      9.86299491    -14.96208568
          69
 Energy    -248.01478817872288     
  O     17.51417467     10.44529996    -17.13284745
  H     17.29391926      9.73214385    -17.74479086
  H     19.09789250      5.29456365    -12.73027664
  O     15.16112361      6.64587778    -13.02970455
  H     16.69477023     10.91714592    -16.93843141
  H     17.95545852      6.79666469    -17.89942730
  O     19.03373642      8.57467097    -12.23136167
  H     15.74710627      6.71081452    -12.26494223
  H     17.85777809      5.34334418    -17.33240379
  O     16.67976346      4.06159149    -16.97400731
  H     15.72617020      6.71498017    -13.81497309
  H     15.88995436      7.28142362    -15.91687683
  O     13.86767951      4.83681926    -16.81931486
  H     19.68960292      7.88015486    -12.36965530
  H     17.26887770      6.60081015    -15.83218026
  O     13.96104450      9.12230835    -13.08717506
  H     18.78611370      8.88667723    -13.11360543
  H     14.98619650     12.68157579    -16.04074093
  O     18.13495854      9.28270528    -14.77149353
  H     16.81498133      3.72729847    -16.07726262
  H     15.50844741     11.57040692    -15.10499297
  O     16.93725037      3.20934835    -14.26223520
  H     15.74352136      4.28155078    -17.03507882
  H     16.25509768      9.14579200     -8.39974280
  O     13.39957768      9.41525865    -10.39839237
  H     13.14666024      4.30916102    -17.15226140
  H     16.46110073      9.60838200     -9.86109638
  O     20.16193404      7.30407340    -15.52994252
  H     13.94290673      4.63827673    -15.86842629
  H     13.95563917     10.28431222    -16.00342944
  O     14.29842676      4.27675618    -14.20994727
  H     14.30698688      8.21802109    -13.08029463
  H     13.48580184      9.34462786    -14.87738997
  O     18.25067010      4.86828782    -12.55236688
  H     13.64175775      9.29748917    -12.19199055
  H     20.52222643      6.64623090    -13.96916835
  O     18.38279031      6.15897823    -17.31471949
  H     18.05987344      9.78886746    -15.59524633
  H     21.53621741      6.13713243    -12.91608894
  O     16.61503019      7.08002607    -15.30928822
  H     17.58735919      8.49012069    -14.89017890
  H     16.64264266      7.51126246    -10.33096546
  O     15.20930525     11.75418111    -16.01103949
  H     17.19991201      2.32586437    -14.01581073
  H     17.71870365      7.54470782    -11.43650255
  O     15.96326400      8.99031321     -9.29440487
  H     17.41110962      3.81241007    -13.66342233
  H     18.11135622      9.97163002    -11.32184047
  O     13.47677196      9.46376868    -15.83694727
  H     12.72008839      9.13955030     -9.78746366
  H     16.91631142     10.82266535    -11.79219287
  O     20.62159217      6.37660815    -13.03793117
  H     14.24399607      9.25047208     -9.95359630
  H     16.66116597      8.15051901    -19.66631674
  O     17.05027371      6.97870006    -11.02302119
  H     19.68336396      6.82295652    -16.22029549
  H     16.00642144      7.90876582    -18.28536164
  O     17.38810741     10.52790653    -11.00337854
  H     19.67104530      8.12153899    -15.39750581
  H     15.35493316     10.23542112    -13.35809455
  O     16.84086698      8.14110486    -18.72925845
  H     15.14153720      3.80697155    -14.17312908
  H     16.80545777     10.30619125    -13.93238020
  O     16.09459110     10.83443539    -13.54555845
  H     14.43169888      5.07660050    -13.68314332
  H     14.25791484      6.60320830    -17.13882895
  O     14.65801198      7.47559037    -17.24540306
  H     17.80278218      5.43276104    -11.91161834
  H     14.11985711      8.14302525    -16.79153344
          69
 Ord_Energy   -248.014435    
 O   -5.60903263       8.42290592       1.24272537    
 H   -4.66304827       8.48133469       1.42786992    
 H   -5.68567753       8.00996113      0.373013735    
 O   -3.78520107       2.21858907       4.49638987    
 H   -4.74019861       2.12785339       4.59555817    
 H   -3.37852502       2.48002553       5.33178377    
 O   -2.85610747       7.95927715       1.81021047    
 H   -2.87480211       7.41915464       1.00605476    
 H   -1.92514324       8.11333275       2.01014709    
 O  -0.523335993       3.99224949       1.09394813    
 H  -0.201148316       4.76782799      0.613319933    
 H   -1.40471113       3.81033778      0.738115311    
 O   -7.03862384E-02   7.96938515       2.27969480    
 H    1.19116902E-02   7.12911510       2.76332927    
 H   0.583248556       8.56034946       2.64386535    
 O   -5.24317455      0.963900745       1.49011612    
 H   -4.33301973      0.763774872       1.76077187    
 H   -5.71577120       1.22002017       2.28672314    
 O   -5.21304178       2.24630952     -0.861280084    
 H   -5.26777601       1.61145282      -1.56982982    
 H   -5.27046251       1.74316776      -2.75225900E-02
 O   -2.12588811       3.10881448       6.52672052    
 H   -1.85474336       2.89414620       7.41499567    
 H   -1.34220195       2.98848033       5.95804644    
 O  -0.109156050       6.41930819     -0.159914643    
 H   -1.01546323       6.54164982     -0.472327113    
 H    9.99348983E-03   7.05738211      0.553706408    
 O   -8.87804013E-03   2.93287396       4.82568312    
 H   0.197734803       3.81336117       4.49039745    
 H    1.97392404E-02   2.35206771       4.05534363    
 O   -1.94542789       5.77026129       5.43876219    
 H   -2.16204357       4.95371294       5.90159702    
 H   -2.77024508       6.14424324       5.10099649    
 O   -6.69201994       4.47022057       2.54019952    
 H   -5.72533655       4.39199018       2.50388932    
 H   -6.87735796       5.36933136       2.83920741    
 O   -4.07859945       6.74239111       3.96752810    
 H   -5.02199316       6.92669487       3.90432620    
 H   -3.63956165       7.23232746       3.25475860    
 O   -6.62483549       4.63613987     -0.305340528    
 H   -6.79408693       4.55660725      0.640991569    
 H   -6.20318174       3.80910730     -0.571147501    
 O   -6.81687212       7.17878008       3.31225467    
 H   -6.45795298       7.65937233       2.54351497    
 H   -7.45958185       7.75287724       3.71974277    
 O   -3.09728956       3.81075692      0.144701362    
 H   -3.72813058       3.23439693     -0.298841804    
 H   -3.42941189       3.95418262       1.04614830    
 O    1.38844401E-02   1.60667706       2.30673361    
 H  -0.104421489       2.44222736       1.82280731    
 H   0.748001218       1.15588737       1.89679217    
 O   -6.75057620E-02   5.50479937       3.47747970    
 H  -0.382796437       4.95932293       2.74463367    
 H  -0.772864759       5.59774590       4.13954020    
 O   -2.69447732      0.631404936       2.48552275    
 H   -1.77118528      0.874740839       2.36291194    
 H   -2.98402381       1.10372818       3.27937984    
 O   -5.65124464       6.99400711      -1.20513368    
 H   -6.02441406       6.14446878     -0.907469809    
 H   -6.09442663       7.22041130      -2.01822686    
 O   -2.94846821       6.48304749     -0.548094630    
 H   -2.99456644       5.53231287     -0.367770553    
 H   -3.80909014       6.72715425     -0.908388734    
 O   -3.93633485       4.28891897       2.67687392    
 H   -3.87846851       5.12414026       3.15822196    
 H   -3.77910256       3.56849551       3.30215168    
 O   -6.56318426       2.06679130       3.90893650    
 H   -6.74589109       2.91040182       3.46322298    
 H   -7.40534019       1.72014105       4.19323969    
          69
 Energy    -248.01427925861489     
  O     13.32762996     11.73810177    -16.56406572
  H     13.03057664     11.41535622    -15.70368007
  H     17.28002405      6.16150996    -17.87313925
  O     16.03791523      7.45549521    -12.95488432
  H     14.02291685     12.36818909    -16.35189757
  H     17.73899623     10.13038384    -11.64496317
  O     14.68372440     11.36857313    -11.32299486
  H     15.72179456      8.07756033    -13.62937122
  H     17.81840993     11.56280351    -12.21814869
  O     15.43756283     12.73228967    -14.72337500
  H     16.22655796      7.98320485    -12.16743699
  H     17.03176268     10.51530323    -16.83163989
  O     14.16813466      7.48106205    -16.96047696
  H     15.33281961     12.05117197    -11.53340868
  H     17.88809473     10.52646578    -15.51873397
  O     11.14671839      9.19694720     -9.76529695
  H     14.16404787     11.21818258    -12.12247597
  H     14.76358229      8.57004237    -15.60424187
  O     13.32018192      6.80280868    -12.62252386
  H     16.04641507     12.12821431    -15.17828875
  H     15.83322381      9.67274265    -15.30041615
  O     13.39798575     10.91625547    -13.82029284
  H     14.70407621     12.19870859    -14.38727815
  H     15.25780319      7.61554087     -7.82545699
  O     17.96102651      7.22653416    -15.00217797
  H     15.05766705      7.17440617    -17.18710521
  H     14.30060300      7.61950846     -9.04134978
  O     12.92128043      6.94726981     -9.85413894
  H     13.95059383      8.21269779    -17.55309208
  H     13.12111008      6.47078824    -15.84797716
  O     19.23500609      9.74000373    -14.53152376
  H     10.39297335      9.44231565     -9.23626827
  H     11.82968705      5.67391281    -15.60947558
  O     16.85739427      6.90319408    -17.44858869
  H     11.90190912      9.71749664     -9.43787737
  H     16.28826106     13.09611024    -13.20041720
  O     18.26328031     10.70753526    -12.21605729
  H     13.02825313      6.42838482    -13.46504850
  H     16.89858865     14.02234381    -12.12151128
  O     17.07618552     10.85471388    -15.92494190
  H     14.27689800      6.91917780    -12.68925548
  H     15.74677069      9.90909309    -11.00041849
  O     15.12058961      9.14486832    -14.91643618
  H     12.69466342     10.40703164    -13.38650283
  H     16.04409037      8.77047501     -9.99890448
  O     15.02628160      8.10613977     -8.60898018
  H     14.01321691     10.26047546    -14.18790410
  H     14.01001070      9.75542821     -8.70850886
  O     12.62045391      5.98526947    -15.17533373
  H     17.38064587      7.12623513    -14.23592907
  H     13.82366138     10.89882287     -9.72777798
  O     16.67774596     13.11378506    -12.30966330
  H     18.47381579      8.02795230    -14.84190235
  H     16.81024723      8.68808987    -18.13086399
  O     16.36814324      9.19319240    -10.80390658
  H     13.03073588      6.76485335    -10.79773552
  H     15.72350711      9.72152280    -18.49892101
  O     13.41371903     10.47001696     -8.96455761
  H     12.20279906      7.58841416     -9.78917962
  H     11.46965893      9.24879909    -11.62489427
  O     16.66721745      9.62408897    -18.32188120
  H     20.17561951      9.89218767    -14.56429163
  H     12.29605551      8.37459608    -12.59047024
  O     11.80063108      9.20289946    -12.52927728
  H     18.92705818     10.06680511    -13.66633286
  H     13.27444570     10.02974966    -19.23648442
  O     13.79709355      9.82311313    -18.46569822
  H     17.26938966      6.99347720    -16.57012939
  H     13.60812411     10.51530386    -17.80907946
          69
 Energy    -248.01415965438304     
  O      1.90608594     -0.57025673      6.60017267
  H      2.68381908     -0.72585950      6.04750380
  H      3.21609537      1.39516957      1.29837898
  O     -1.60784643      1.86526352      6.60369730
  H      1.53483189      0.27674172      6.31655319
  H      1.03440727      1.40736418      2.35089400
  O      0.68921757     -5.26472468      3.43043365
  H     -2.13393744      2.50871681      7.07058514
  H      0.38154948      0.03027961      2.62912824
  O     -3.08282991     -2.28760423      7.13064349
  H     -1.52880861      1.09092433      7.18955930
  H      3.97697218     -0.74786067      1.26532142
  O      2.75734619     -4.36481350      7.85946381
  H      0.54923163     -5.30462207      4.38681963
  H      5.21191519     -0.02084276      0.70913677
  O      3.96887402     -0.88303893      4.74107143
  H     -0.06921688     -4.80108494      3.05834285
  H     -1.47488051      0.89729393      3.52550438
  O      4.04519219     -3.53928381      5.65383762
  H     -2.98064851     -2.26039296      6.17024967
  H     -2.13438503      1.11823493      4.90059394
  O      0.93854780     -2.27089811      8.53547627
  H     -2.54466928     -3.02666257      7.43909869
  H      3.34349442      2.01417493      3.46551116
  O     -1.38549829     -0.34724262      8.13969646
  H      3.34971443     -4.88675599      8.39369537
  H      2.74661868      1.97199894      4.87825757
  O     -1.15100766     -4.07311424      8.25717631
  H      3.27849410     -4.03900905      7.10230718
  H      0.84934112     -1.71360600      5.69257927
  O      3.28838226     -2.07377250      2.25086180
  H      3.97638102      0.08022318      4.63626086
  H      0.49910382     -3.22027181      5.48943176
  O      2.63794326      2.08969848      1.65750989
  H      3.74646889     -1.24829485      3.87515540
  H      3.75261217     -5.51161185      2.79044545
  O      0.31360822      0.97494426      2.82520477
  H      4.16520936     -2.60796556      5.42737661
  H      2.38285339     -4.92677119      3.20265496
  O      4.26824257      0.06497514      0.82165541
  H      3.84291128     -3.99462721      4.82772245
  H     -2.41786444     -1.09714752      4.23379957
  O     -2.25610961      0.67980412      4.04948676
  H      1.58991139     -2.98266153      8.47918034
  H     -1.39942055     -2.12113734      4.78362203
  O      3.56410172      1.82314631      4.38468628
  H      1.29363794     -1.57916560      7.95672636
  H     -1.91679489     -3.14662577      3.06055314
  O      0.35842131     -2.33338453      5.13955374
  H     -0.64725445     -0.86990986      8.45886284
  H     -2.23292657     -3.97461936      1.79574648
  O      3.33488114     -4.73049636      3.14388248
  H     -2.05118742     -0.97913167      7.82561622
  H      1.34606849     -4.89548671      6.73934298
  O     -2.29488639     -2.04026139      4.42112554
  H     -1.37954568     -4.40563410      9.12224420
  H     -0.18744155     -4.81585294      6.84067804
  O     -1.51731553     -3.68531538      2.35575150
  H     -0.47001648     -3.39176385      8.39171834
  H      0.70576212      1.46371852      4.54885404
  O      0.53632036     -4.95166524      6.21498855
  H      3.42229830     -3.00632839      2.45860171
  H      0.09187648      1.93195721      5.89088168
  O      0.92894779      1.74037789      5.44994922
  H      2.32850806     -1.94327884      2.22133316
  H     -0.11002444     -2.36124497      2.13121412
  O      0.57816779     -1.78268980      2.47592504
  H      2.72522859      2.84522930      1.08172085
  H      0.59689347     -1.96280988      3.43062922
          69
 Energy    -248.01388523472031     
  O     -2.56501859      1.10029168      1.22216284
  H     -2.91504563      0.70263900      2.03134747
  H      0.77786494     -3.60188969     -1.53462639
  O     -3.73189326     -1.61932336      5.90386200
  H     -2.94846485      0.59513627      0.49771544
  H     -0.70013811     -5.21470573     -0.52040719
  O     -0.24204853     -0.82518722      3.55417858
  H     -4.26600611     -2.42005835      5.84750923
  H     -0.33080411     -6.08681427      0.70883209
  O     -3.12061981     -0.50050321      3.47223320
  H     -2.82092634     -1.91998837      6.02739588
  H      1.54327232     -1.70492462      3.95391445
  O      1.26451021     -4.07074152      6.04633670
  H     -0.36445651     -1.48712260      2.85145880
  H      2.21501487     -2.91871433      3.28455981
  O     -5.10942243     -4.11746186      5.41943731
  H     -0.02707937      0.00469514      3.10898052
  H     -1.36484726     -3.22402099      1.65169648
  O     -1.07716786     -2.56870651      5.62218387
  H     -3.45520525     -0.77621408      4.33839959
  H     -0.75242877     -2.15869976      0.70126600
  O     -0.02741261     -6.02745802      4.40378776
  H     -2.16029284     -0.57461148      3.51940447
  H     -2.68414334     -4.61578329      2.67873674
  O     -6.46587654     -3.15160635      3.25428907
  H      1.88490210     -4.15703934      6.76484667
  H     -2.27462346     -4.97189291      1.19237007
  O      0.07427947      1.36866523      1.86413330
  H      1.68135643     -3.49490523      5.37953800
  H      0.96583441     -3.44398579      1.65032862
  O      1.02208374     -6.53460138      1.96503064
  H     -5.70113148     -4.58896611      6.00018597
  H      1.68566785     -4.80496982      1.80924625
  O     -0.04911100     -4.00270746     -1.86145600
  H     -5.64006827     -3.81461666      4.66280217
  H     -3.96548525     -1.60484571      2.31564661
  O     -1.07163120     -5.76396338      0.18081308
  H     -0.74277401     -1.91538292      4.99358405
  H     -3.87568804     -3.00540340      1.62713948
  O      2.17311823     -2.41524820      4.11130474
  H     -0.31132945     -3.06967066      5.92994802
  H      1.97340416     -1.84636926     -0.67400498
  O     -0.64494802     -2.58748843      1.56010497
  H     -0.94679022     -5.73643009      4.45434075
  H      2.25710103     -3.17729622      0.05656186
  O     -2.77656436     -4.35908929      1.75102372
  H      0.46620218     -5.44854595      4.99745126
  H      0.95570505      0.35666950      0.40768476
  O      1.83810283     -3.85367893      1.75765148
  H     -7.30458079     -2.76846559      3.01014581
  H      0.34857212     -0.52111556     -0.69302226
  O     -4.39648409     -2.18753467      1.67257916
  H     -5.81484198     -2.79598975      2.62957743
  H     -2.10469277     -1.38272722     -1.01499523
  O      2.13738159     -2.78941983     -0.81984698
  H      0.30918929      2.28950446      1.94652505
  H     -0.97854354     -2.40832560     -1.42551302
  O      1.19102423     -0.19609685     -0.34392687
  H     -0.85030791      1.34241902      1.55970939
  H     -2.03364172     -3.93919760      4.83492730
  O     -1.15865459     -1.56637271     -0.98704539
  H      0.63595334     -6.40566217      2.85043081
  H     -3.41406983     -4.63620931      4.83232272
  O     -2.51583065     -4.70249481      4.48580500
  H      1.48121564     -7.36986157      1.98428518
  H     -4.60024298     -0.62154006     -1.15035824
  O     -3.82661171     -0.79283979     -0.61966359
  H      0.13355534     -4.32594982     -2.73984149
  H     -4.11865456     -1.31690978      0.14519963
          69
 Energy    -248.01387338834044     
  O     -0.37541196     14.77784442      7.29815022
  H     -0.28185881     13.85037322      7.58507322
  H     -0.12768673     13.33514708      4.40486969
  O     -4.31439535      7.96049962      6.14388330
  H      0.25663539     15.28840009      7.79566266
  H     -5.16728212     13.56359125      5.24201143
  O     -3.06119382     14.61485245      3.23663332
  H     -4.29069346      7.06003801      6.45987603
  H     -4.41368271     14.64228502      6.04715232
  O     -4.92140120     10.38950151      7.49198142
  H     -3.39266714      8.23209037      6.00583066
  H      0.22167078     11.47459563      3.29806129
  O      0.61825013     10.06584753      6.24658529
  H     -2.20277579     14.48479794      3.66252800
  H      0.84643508     11.25897467      4.69347662
  O     -4.70131965      8.46049729      3.28824512
  H     -3.72667852     14.60293948      3.93973660
  H     -3.71257529     11.32463520      8.31621800
  O     -5.65467307     10.98649960      2.51101879
  H     -4.81186932      9.49094225      7.16216856
  H     -3.28366680     11.91714891      9.67308134
  O     -0.35103630     12.16564558      7.95742698
  H     -5.16726875     10.91350412      6.71553482
  H     -3.27147684     13.12420952      2.17738599
  O     -1.80323188      8.95795787      5.45028872
  H      1.28518306      9.43837995      6.51663465
  H     -3.94493283     12.76143834      0.83306578
  O     -2.08944303      8.14293192      2.76452095
  H     -0.17204956      9.55261359      6.01766666
  H     -3.87985375     15.63043536      2.01881867
  O     -1.33330565     10.83310080      2.40515039
  H     -5.14334721      9.27585271      3.01543247
  H     -4.10916544     16.92471806      1.20615332
  O     -0.82467866     13.95349440      4.66981288
  H     -4.82029609      8.36551259      4.23955313
  H     -4.99150609     14.59194798      0.27048624
  O     -4.96646663     14.51081844      5.26334504
  H     -6.37839392     11.54028027      2.19173613
  H     -6.02024518     13.44908506      0.34062208
  O      0.82323224     11.86740872      3.94595898
  H     -4.84179881     11.39805783      2.18272664
  H     -2.31043345     14.72207921      7.38611644
  O     -3.05140097     11.89239216      8.74757611
  H     -1.25590755     11.94379324      8.21573519
  H     -3.24769193     13.60761638      7.87154215
  O     -3.42424631     12.39365100      1.56136340
  H     -0.02018526     11.44496647      7.41075634
  H     -7.20023244     13.72512837      2.18326974
  O     -4.48967232     16.07288525      1.40343436
  H     -2.06901438      9.88995131      5.38154399
  H     -8.36128576     13.03247778      1.43286642
  O     -5.19141109     13.71296290     -0.07768884
  H     -1.78336204      8.60573091      4.54940771
  H     -6.00213920     15.58889704      2.49661417
  O     -3.23524087     14.45077743      7.40305817
  H     -1.92853784      7.37872055      2.21847470
  H     -6.16950646     15.00991964      3.91585490
  O     -7.42849193     12.96513738      1.61798298
  H     -3.05628939      8.22112194      2.86839436
  H     -2.07583050     11.32440339      4.00343853
  O     -6.61972131     15.11477302      3.06691555
  H     -1.55953678      9.89631371      2.36043355
  H     -1.93031775     12.41533223      5.07301631
  O     -2.38417191     11.58578643      4.88387950
  H     -2.01339920     11.32958143      1.92544399
  H     -4.16030815     11.71654687      5.06574966
  O     -5.12791079     11.76909462      5.11445580
  H     -0.58586620     14.33188775      5.52416405
  H     -5.45633251     11.47991142      4.25458664
          69
 Energy    -248.01372361579956     
  O     16.26594303     11.01352396     -9.90190121
  H     16.43196946     11.41072207     -9.05058790
  H     14.09752001      8.20052750    -14.01463217
  O     11.99120949      6.28724113    -12.13251258
  H     16.66232367     10.12294830     -9.87397180
  H     15.38580570      5.84462259    -16.20329699
  O     17.50595187     10.23036950    -14.34584055
  H     12.53779021      5.60257328    -12.53452527
  H     14.40498391      6.57757696    -15.24332035
  O     17.77268641      8.11977291    -12.55700605
  H     12.48825497      6.61568358    -11.36820790
  H     16.52019711      5.81233561    -14.43164882
  O     16.67766914     12.12448067    -12.40530534
  H     16.69181793     10.13017028    -14.85860530
  H     18.04350727      5.82417854    -14.69812785
  O     13.61006343      7.38461850    -10.19276908
  H     17.32913284     10.92096306    -13.69573771
  H     14.53072470      7.97146532    -11.74998720
  O     15.13314482     10.12470285    -15.90073273
  H     17.77747590      8.83757404    -13.20419753
  H     15.88438305      8.23662975    -12.45625681
  O     14.29626895     11.93320406    -14.01899189
  H     17.71522266      7.28919944    -13.04798648
  H     14.42541102     10.45970818     -9.99035821
  O     16.50351672      6.29644080    -17.52918593
  H     16.53033012     11.72438182    -11.53369794
  H     13.12413186     10.35249416    -10.81377745
  O     11.10698883      8.39264365    -13.53708516
  H     17.09430627     12.96950255    -12.25099840
  H     14.14077262      4.78746683    -14.09761355
  O     16.06247811      4.82015640    -11.67761785
  H     14.36870880      6.99249367     -9.74519133
  H     13.50198966      3.47714246    -13.58914514
  O     13.59949430      8.11543028    -14.84973639
  H     13.55359673      8.32147278     -9.95125603
  H     16.04348347      5.64109467    -10.14940951
  O     14.90715280      5.75875484    -15.36642435
  H     14.57528700      9.37853451    -15.63666562
  H     16.14469339      5.51123182     -8.61193190
  O     17.38307518      5.78210861    -13.99527990
  H     14.82380874     10.87717950    -15.37564136
  H     19.92199127      5.92282974    -16.48507518
  O     14.92993375      8.31031299    -12.55906114
  H     15.04696715     12.05504536    -13.42567654
  H     19.07372079      7.19592072    -16.25383637
  O     13.52365004     10.11894825     -9.96654738
  H     13.60595072     11.51211944    -13.49185820
  H     16.92058718      7.74639915     -9.58849971
  O     13.75073627      4.35754886    -13.31749467
  H     16.45346706      7.22562403    -17.78539195
  H     17.64280468      8.38950051    -10.79039728
  O     15.97958045      6.13647058     -9.31237728
  H     17.39983511      6.16536109    -17.19596330
  H     16.30558333      9.60473723    -18.84458202
  O     19.06301576      6.22314661    -16.20135844
  H     10.22128185      8.21233060    -13.83924576
  H     15.98559135      9.54660348    -17.33434002
  O     17.34283445      8.56078310     -9.88490872
  H     11.38598453      7.61959284    -13.01066837
  H     18.16747040      9.04157480    -17.10058975
  O     16.51276898      9.13519505    -18.04070650
  H     15.22745740      4.61499085    -12.11494452
  H     18.58294392      9.44012326    -15.67717687
  O     18.86140106      8.91739577    -16.44012893
  H     16.66858797      5.06280903    -12.38873793
  H     11.82358302      9.92978230    -12.81893577
  O     12.18704659     10.74852627    -12.44875036
  H     12.67081871      8.19754607    -14.61435401
  H     11.44223102     11.32885567    -12.30076875
          69
 Energy    -248.01358623054685     
  O     12.80505288      4.95640750    -15.12141566
  H     13.54992980      4.34911341    -15.21062502
  H     15.56681987      6.37038905    -15.03434329
  O     17.42278612      6.08344176    -12.43831410
  H     13.15533351      5.84021340    -15.29659541
  H     16.39368719     11.25503172    -13.89310291
  O     14.23237889     10.57209028     -9.39883585
  H     18.34126340      6.38197784    -12.40756508
  H     14.89896640     11.41623206    -13.54886772
  O     19.60690183      9.05358191    -14.49123977
  H     17.16019053      5.94929554    -13.36073917
  H     16.39984837      8.73150871    -11.11396174
  O     15.13001293      3.28256519    -14.88755817
  H     13.86698780      9.68419331     -9.22875044
  H     16.65497810      7.68696048    -12.23253223
  O     13.44578156      8.03773358     -8.89339673
  H     14.01867428     11.10603105     -8.63698182
  H     12.11476174      4.66170762    -13.55675291
  O     15.51976497      5.28626181    -10.60310397
  H     19.03290342      8.63882682    -15.15362201
  H     10.97450311      4.08589898    -12.68131360
  O     13.63863653      8.64930240    -12.83161799
  H     19.81529715      8.37124139    -13.84513783
  H     15.98142308      9.74631037     -9.29615254
  O     19.92919103      7.27178812    -12.18635788
  H     14.93769567      3.19521699    -13.93689331
  H     16.52099814      8.33780282     -8.91283091
  O     15.90055997      6.69127991     -8.28243492
  H     15.33880902      2.40996531    -15.20942487
  H     13.49478714      3.52255124    -12.28415659
  O     15.41052401      9.64023568    -16.41219437
  H     13.16144550      7.49994385     -9.64555448
  H     14.85946309      3.76050606    -11.60768857
  O     16.34631757      5.80240437    -14.95061722
  H     14.19179357      7.56229222     -8.50863692
  H     18.51892412     10.17207177    -13.62757039
  O     15.51306054     11.34740431    -14.28601279
  H     16.21694431      5.51880062    -11.23488739
  H     17.27227804      9.86980764    -12.75977603
  O     16.21544931      8.52541272    -12.03925858
  H     14.70593962      5.74218830    -10.86619964
  H     18.88458325     10.06722358    -11.47485728
  O     11.84935465      4.46192515    -12.64052707
  H     13.38690834      9.56494566    -12.67545623
  H     18.47943008      9.43065791    -10.13420068
  O     16.74600937      9.16216237     -9.36504976
  H     14.58068826      8.59928978    -12.59316886
  H     14.47903623      8.16213909    -15.80705256
  O     14.40913632      3.21272555    -12.26136770
  H     20.81621457      7.00256066    -11.96213477
  H     13.83800313      7.85896317    -14.43964098
  O     17.86793646     10.58189893    -13.03555524
  H     19.72467815      8.04620643    -11.63240646
  H     13.17685780      7.25875195    -11.81559596
  O     19.20625766      9.49397466    -10.76572347
  H     15.81920152      6.11450883     -9.06152024
  H     12.54800437      5.84087530    -11.64656911
  O     14.09970662      7.44969556    -15.27644650
  H     16.20443945      6.14251555     -7.56422797
  H     12.97485024     12.06657344    -11.97176973
  O     13.07138556      6.51790374    -11.20097904
  H     15.43313676     10.26357948    -15.66512501
  H     13.86458240     11.12442200    -11.13499774
  O     13.59990251     11.34817128    -12.04053317
  H     15.32476224     10.16672660    -17.20289334
  H     17.36556875      7.11077745    -15.87413267
  O     17.74463740      7.93462633    -16.20416620
  H     16.03258737      4.89225783    -15.01918087
  H     17.00242440      8.53916003    -16.32185214
          69
 Energy    -248.01356498135519     
  O     11.20118082     10.54087991    -11.60195149
  H     10.63354736     10.02900572    -12.19245120
  H     17.66513840      6.56893094    -15.17683752
  O     13.79653293      7.41775981    -15.01868032
  H     11.80920306     11.02257621    -12.17603492
  H     14.30866597     11.93514885    -16.16926938
  O     17.73320490     10.33156111    -11.27460463
  H     14.52112849      8.01541260    -14.77624347
  H     14.62985180     13.43003228    -15.91691869
  O     17.95357568      9.12097857    -17.28043276
  H     14.11642002      6.87446557    -15.74903156
  H     15.59255246      9.47653805    -13.34486386
  O     11.92441513      9.42560874    -15.11311273
  H     16.79149964     10.51801308    -11.40333860
  H     16.29826757      9.66558206    -14.70772616
  O     13.52098792      6.11097042    -12.60672680
  H     17.76222809      9.41398800    -10.98542709
  H     11.61328635      9.01638065     -8.85147181
  O     15.02427405     10.34315026    -11.85861099
  H     17.73092589      9.86331822    -16.69325929
  H     11.72337995      9.46401336    -10.32781370
  O     15.20617341      8.77768067    -18.07917568
  H     18.67539953      9.41529207    -17.83044128
  H     11.81339612      6.48904343    -12.00379397
  O     15.76418054      4.55320953    -12.92847123
  H     12.51616126      8.65822258    -15.11519942
  H     11.25729377      7.41265862    -10.90207285
  O     17.15056363     11.05534936    -15.53790738
  H     11.13666081      9.17187695    -14.61795750
  H     18.47798648     11.14738667    -12.64988160
  O     15.06476442      6.06825026    -17.09907009
  H     14.20608917      5.42970485    -12.64486272
  H     19.45347783     12.23190729    -13.13404063
  O     17.56445198      6.52550116    -16.13554030
  H     13.53878091      6.55487620    -13.46687902
  H     17.47559533      7.02179911    -12.37805637
  O     14.76067400     12.55416391    -15.56339482
  H     14.69769322      9.54662210    -11.41934524
  H     16.82461946      7.60165825    -13.64336361
  O     15.84911795      9.01591757    -14.15461446
  H     14.29552726     10.74950140    -12.34636930
  H     16.23808839      7.65406621    -10.52946186
  O     11.97941743      8.76794759     -9.69586734
  H     16.14635724      8.92444020    -17.92282265
  H     17.46139501      7.06944458     -9.79527416
  O     11.00198894      6.90583570    -11.68186206
  H     15.05605385      7.85000583    -17.86518728
  H     14.06347923     10.05386639    -17.48172707
  O     18.78941757     11.62037128    -13.44011970
  H     16.34778411      5.30560864    -13.11397702
  H     12.83705527     10.28418185    -16.55534751
  O     17.32609683      6.84022587    -13.31354232
  H     16.15974614      3.80076683    -13.36101340
  H     14.14233272      7.24842646    -11.34956658
  O     17.20419246      7.56148761    -10.57147437
  H     17.75030986     11.31341268    -14.82012287
  H     13.64278588      8.14990446    -10.18939237
  O     13.51101322     10.73774829    -17.07552612
  H     16.39598980     11.65693021    -15.54313157
  H     13.65555788     11.92784033    -14.11615684
  O     14.43319171      7.87876535    -10.67409769
  H     15.02733229      5.26605208    -17.61203919
  H     12.69556910     10.71875087    -14.08403460
  O     13.09769673     11.40437571    -13.52942094
  H     15.97592000      6.14925404    -16.76389671
  H     10.21698985      7.99874408    -12.79379192
  O      9.84966019      8.71246994    -13.34570775
  H     17.80201744      7.39609725    -16.48117950
  H      8.92400613      8.51925369    -13.46658655
          69
 Energy    -248.01345473448322     
  O      0.88622382     -0.01981978      2.88198776
  H      1.36003701     -0.27472674      2.07708321
  H     -1.69550455      0.86521317      7.07546512
  O     -2.94566034      1.08361100     -3.24793247
  H     -0.05636033      0.01249738      2.65672069
  H      0.71955682      3.10773876      1.65842517
  O     -0.28979102     -1.57086691      4.91326568
  H     -2.82312433      1.73055035     -3.93857910
  H     -0.51673991      3.03266547      0.73113619
  O     -4.36285534      0.60809759     -0.90079900
  H     -2.07417680      0.95714965     -2.84239978
  H     -3.06454826      1.57075357     -0.10463236
  O     -0.03232780     -1.96468498     -1.01188477
  H      0.28429429     -1.10943728      4.28723066
  H     -1.57133909      1.57081670     -0.43851983
  O     -2.93789443      3.29056296      2.62555454
  H     -0.73964215     -0.87987176      5.41361337
  H     -2.43560483      0.03766341      2.87873457
  O     -4.26211445     -2.61880867      3.71399249
  H     -4.05110100      0.78829236     -1.79726299
  H     -1.97111803      0.69073664      1.53452182
  O      1.37110951      2.61639439      3.33615871
  H     -4.22005853     -0.33901397     -0.73962027
  H     -3.22260952     -2.32035143      0.17863328
  O     -0.58984573      0.69811047     -1.75746397
  H     -0.02818601     -2.69620133     -1.62419082
  H     -4.75013577     -2.21817993      0.33719596
  O     -5.36308107      2.06199912      3.43558257
  H     -0.57871302     -2.23814500     -0.25552004
  H      1.42505526     -1.14091013     -0.07157884
  O     -3.63432091      0.02205961      4.26559476
  H     -2.78490343      2.95750647      1.73510840
  H      2.09313605      0.24387828     -0.08229781
  O     -1.68201322      0.62541932      6.15323142
  H     -3.81077836      2.96609535      2.88299689
  H     -1.75813555      3.02165261      3.97648338
  O      0.42631794      3.21747649      0.74400549
  H     -3.40900889     -3.06536051      3.73305782
  H     -0.24947001      2.84696405      4.27246053
  O     -2.21108798      1.91622960      0.19945076
  H     -4.08783250     -1.70563733      3.98553495
  H      2.52129804      2.41958898     -1.51136966
  O     -1.78181787     -0.00955603      2.16947490
  H      1.26832300      1.65405094      3.22912921
  H      1.40844738      2.41587304     -0.43385529
  O     -4.02525190     -2.03906157     -0.27586992
  H      2.23543977      2.76384992      3.71082384
  H     -1.11502264     -2.92709188      4.17337975
  O      2.01287477     -0.56701052      0.43469186
  H      0.27765595      1.11520959     -1.68022207
  H     -1.28245664     -4.46150801      4.12165339
  O     -1.12509172      2.78484830      4.66980931
  H     -0.46718182     -0.23497034     -1.53735494
  H     -1.55534101     -3.08372650      1.91967845
  O      1.86704710      1.86568151     -1.09503467
  H     -6.13176687      2.49842160      3.79162311
  H     -1.69858650     -1.61872189      1.47381881
  O     -1.57801744     -3.65131655      3.71523068
  H     -5.66201791      1.54749191      2.66260375
  H     -6.76607691     -2.87600377      1.80736135
  O     -1.60140601     -2.52405103      1.13671168
  H     -4.24538476      0.75218150      4.10574670
  H     -5.42228591     -2.44986513      2.44544497
  O     -6.03408857     -2.27364233      1.70808583
  H     -3.06256679      0.25147833      5.00965173
  H     -6.12794753     -0.39321943      1.47614198
  O     -6.05734168      0.55824171      1.33002210
  H     -1.45012329      1.43157842      5.65465400
  H     -5.57968204      0.66871681      0.49708181
          69
 Energy    -248.01311396096938     
  O     17.23120065      7.97072064    -15.79745726
  H     16.46940889      7.39055830    -15.64930201
  H     19.63805558      3.94339756    -15.08269306
  O     20.54956437      6.07240538     -9.91704286
  H     17.86727666      7.46553084    -16.31867504
  H     18.71992700      4.51158217    -12.43827797
  O     15.02683168      9.37895013    -10.04741939
  H     19.89483637      6.74735440     -9.65861481
  H     18.01471263      3.32403172    -13.13518079
  O     13.28438118      9.99608478    -15.25561306
  H     21.33342776      6.23575567     -9.40014364
  H     16.57326681      9.66405194    -15.55891195
  O     18.94285020      6.19222645    -17.12682623
  H     15.94104486      9.47179304    -10.35073608
  H     15.18136421     10.31264087    -15.39259140
  O     12.99416585      7.71807202    -12.31020401
  H     14.49474929      9.85862396    -10.69196292
  H     17.23663645      7.04115965    -12.88126322
  O     18.43879791      4.14816497     -9.57218699
  H     12.65232625     10.44085732    -15.81609009
  H     17.80681890      7.88532508    -14.04506126
  O     14.74936754      6.67547800    -10.33472919
  H     13.02161542      9.06309925    -15.22770212
  H     11.78116557      6.82001585    -15.07418147
  O     19.96177154      5.84477712    -12.64224593
  H     19.50115211      6.25453937    -17.89699938
  H     12.68276411      7.38524948    -13.94557894
  O     16.60892138      5.80845519     -8.44640124
  H     19.45323294      5.71414944    -16.44844312
  H     17.63125942      3.21203891    -15.45672460
  O     16.00005853      5.75886320    -12.61956700
  H     13.31477356      8.62772260    -12.25386438
  H     18.16256109      1.78055538    -15.20686846
  O     20.17383984      4.73666465    -15.20244611
  H     13.44741950      7.23067400    -11.61250344
  H     14.77690583     10.85327843    -12.53568095
  O     18.00783167      3.86238993    -12.33428253
  H     18.23808302      3.87186393    -10.47624732
  H     13.58991854     10.39517055    -13.38869003
  O     16.12624288     10.48081825    -15.29826019
  H     19.24658977      4.67364971     -9.63022792
  H     17.81979449      7.28995189     -8.94745004
  O     17.93455652      7.67184450    -13.11242091
  H     14.80963334      7.63255656    -10.18230434
  H     18.27138755      8.50609105     -9.80534408
  O     12.57913429      7.31647001    -14.91453878
  H     15.28241895      6.27022270     -9.63974475
  H     17.76201058      8.92420084    -11.84213726
  O     18.18180727      2.66973295    -14.86374306
  H     20.29441868      5.94141197    -11.74133381
  H     17.34297392     10.39139815    -11.66433102
  O     13.90774689     10.43399394    -12.47854898
  H     19.34705195      6.57614410    -12.80161268
  H     15.39219956      6.00434768    -14.27262400
  O     18.58935480      7.79366064     -9.23663781
  H     16.49657201      5.59332547     -7.52401559
  H     14.26401834      6.53006781    -15.20255028
  O     17.60103258      9.60388589    -11.17016669
  H     17.22529809      5.15135181     -8.81473659
  H     17.48222664      4.94603037    -16.86837264
  O     15.16708265      6.19703514    -15.19656073
  H     15.55474255      6.02094303    -11.80266728
  H     16.14051907      4.90745768    -16.11207646
  O     16.81918039      4.34456293    -16.50809297
  H     16.59129437      5.01594551    -12.43912861
  H     16.45788208     11.20970821    -13.75815753
  O     16.49811674     11.58025949    -12.85768592
  H     20.25775841      5.13674774    -14.32608684
  H     16.68259638     12.51119263    -12.95086707
          69
 Energy    -248.01310002390042     
  O     -7.84904194     -2.61975918      6.21770796
  H     -8.45557511     -1.87053195      6.13933292
  H     -6.01928137     -2.47038515     -0.59344270
  O    -10.05191037     -3.18035080      2.37609286
  H     -7.01749001     -2.27187200      6.56057920
  H     -2.69963414      1.16162345      2.85418263
  O     -8.02850613     -4.13991529      4.02681316
  H    -10.67890233     -3.88549189      2.23038482
  H     -4.05816966      0.60341951      2.35408494
  O     -5.10268090      0.59229953      0.84192086
  H     -9.37162365     -3.53177463      2.97109419
  H     -7.25613100      0.60442443      3.19238923
  O     -6.18353164      1.03208602      6.33206135
  H     -7.98402275     -3.61988443      4.85165685
  H     -6.74674883     -0.80400773      3.62444696
  O     -4.47070098      5.10291536      1.28340433
  H     -7.82062830     -5.04091666      4.25941230
  H     -4.75659857     -1.87759709      7.75338305
  O    -10.06893062      0.97880331      1.23407070
  H     -5.92761792      1.02882680      1.10637614
  H     -4.79336293     -1.57750944      6.23473208
  O     -9.37121968     -0.35710865      5.55557779
  H     -5.35262646     -0.28058159      0.52114653
  H     -0.51030699      2.48912061      2.29125815
  O     -4.02334080     -1.58737979      4.68846953
  H     -5.83695874      0.24133952      6.76234356
  H     -1.83474904      3.16984350      2.71503066
  O     -3.46600343      2.80638344      0.21218522
  H     -6.48714275      0.73363266      5.45954331
  H     -6.05710120     -2.34547117      1.99577861
  O    -10.92082214     -0.58900762      3.26988412
  H     -4.44954823      5.81015238      0.64470713
  H     -6.69644130     -3.07283392      3.22415986
  O     -6.18343688     -1.95200009      0.18949036
  H     -4.14900675      4.30451248      0.82790533
  H     -9.22271508     -0.62559483      0.57757877
  O     -3.49739695      0.69716258      3.13698482
  H    -10.80992208      1.43008225      0.83903085
  H     -9.26280834     -2.09716563      1.03405304
  O     -7.15386532      0.00888824      3.94599912
  H    -10.41633025      0.48593176      1.99935531
  H     -7.78801352      1.59247869      7.02089217
  O     -5.31583760     -1.54346864      7.05746948
  H     -9.31709936      0.36539954      6.19561951
  H     -8.83660669      2.69502964      7.22952683
  O     -1.45810390      2.41256657      2.23048642
  H     -8.63381031     -0.23020428      4.93718609
  H     -3.40186530      3.94807984      4.07824245
  O     -6.05130152     -2.40702600      2.95911472
  H     -4.63817370     -2.00803140      4.07210418
  H     -3.33022732      4.81261501      2.80442751
  O     -8.82849831     -1.49147189      0.42074486
  H     -3.72369852     -0.78755505      4.23668356
  H     -4.28708706      1.99638083      4.17031473
  O     -8.72040411      1.74778036      7.24130913
  H     -4.02987820      2.02557032      0.29287206
  H     -5.12232985      2.27258562      5.43585677
  O     -2.78602450      4.41476936      3.49596060
  H     -2.68843699      2.62948631      0.75615684
  H     -7.22479197      2.56380453      2.15372120
  O     -4.66611793      2.70840408      4.70634047
  H    -10.52461459     -0.46988347      4.14464142
  H     -8.35839334      1.61852130      1.57021677
  O     -7.42050955      1.69037086      1.77889736
  H    -10.72436717     -1.49847950      3.01748938
  H     -5.89244441      4.44245993      2.34326933
  O     -6.48428590      3.95005960      2.92583082
  H     -7.13912410     -1.76028783      0.20759244
  H     -5.91721824      3.57078346      3.61145875
          69
 Energy    -248.01304873689946     
  O     12.78856225     11.68563053    -15.74023414
  H     13.33742535     11.14430485    -16.32821818
  H     13.60514847      7.78745804    -20.11043988
  O     11.39777202      7.13666203    -13.99294502
  H     12.93431087     12.60464238    -15.99079206
  H     12.91781527     13.35698265    -18.33117714
  O     13.47116955     10.61748222    -13.33696237
  H     11.09621099      7.21646770    -14.90644557
  H     11.83008694     12.36036276    -18.82598350
  O     10.37076450     10.42098714    -15.59640815
  H     11.08786072      7.93278404    -13.54304658
  H     17.13171458      8.79666258    -18.34727580
  O     10.89357325      7.92548486    -16.73782247
  H     13.20474857     11.03792567    -14.17035677
  H     16.33021600      7.92607858    -19.33311414
  O     16.99025024      9.70457377    -16.70651035
  H     14.34983840     10.96599774    -13.14974151
  H     14.25304317     10.32240633    -18.26197218
  O     13.61050057      7.46102209    -16.82743139
  H     11.19595613     10.92245703    -15.69725550
  H     14.01597192      9.17532950    -17.22461253
  O     15.97185820     13.19307310    -15.76622413
  H     10.30093098     10.23430247    -14.65382667
  H     15.89946854      8.41323014    -14.02225858
  O     14.20292249     10.85446497    -19.99677381
  H     10.69510022      8.78575813    -16.33999026
  H     16.90033683      9.10025145    -14.98235825
  O     14.04295111      7.93173385    -14.12590293
  H     10.64908486      8.00529171    -17.66880345
  H     14.44806543      6.90288397    -18.28512996
  O     17.04738611     11.13397494    -20.19005616
  H     17.44425623     10.52649477    -16.92503336
  H     14.95084932      5.77715056    -19.21602222
  O     12.95070631      8.42084983    -20.42429885
  H     16.04782740      9.87262863    -16.86807654
  H     13.52151171     15.07958033    -16.46153525
  O     12.62963924     12.84091838    -19.09080525
  H     13.88507673      7.54243700    -15.90383706
  H     14.48305212     13.86965522    -16.37373561
  O     17.03018966      8.58782188    -19.28612862
  H     12.64628276      7.55109301    -16.84194189
  H      9.82558647      8.26957468    -20.11273902
  O     14.32905050     10.08359277    -17.32860264
  H     16.04168297     12.62611631    -14.98899106
  H     11.33247797      8.47469755    -19.83029472
  O     16.68842457      8.96888884    -14.04664480
  H     16.61101709     12.87191776    -16.41255293
  H     17.54572893     11.92283619    -18.61049645
  O     14.87312798      6.72527151    -19.14167688
  H     15.11450738     11.11896616    -20.15115418
  H     18.69891464     12.59503840    -17.83603769
  O     13.60497660     14.15644585    -16.68402334
  H     13.67468485     11.64056488    -19.77841519
  H     11.78977727     10.06529021    -12.88958794
  O     10.44335399      8.53591821    -19.43717693
  H     13.19542469      7.48482225    -13.98218460
  H     10.53642120      9.97384037    -11.99277879
  O     17.83567603     12.20199641    -17.72750229
  H     13.89152674      8.85223931    -13.87298835
  H     16.71316380     11.82439980    -12.65656295
  O     10.87452273      9.74172752    -12.85424088
  H     17.42176848     11.19820522    -21.06495291
  H     16.41030793     10.62441684    -13.58222342
  O     16.15269546     11.54073986    -13.37453429
  H     17.05629555     10.18874066    -19.94757683
  H     10.20342448     11.05224108    -17.45910908
  O     10.45229303     11.22599138    -18.37359984
  H     13.37845024      9.28887565    -20.39430968
  H     10.42055027     10.36698224    -18.81171205
          69
 Ord_Energy   -248.013031    
 O    6.60930777     -0.992469490       7.43043184    
 H    7.11757851      -1.78683257       7.22115755    
 H    7.03461170     -0.277586162       6.93769169    
 O   0.355499536      0.136305705       4.67690754    
 H   0.777747989       1.00322282       4.79477215    
 H  -0.581751287      0.294775456       4.59601021    
 O    4.07382917      0.991724968       5.81777096    
 H    4.43231344       1.12541497       6.70453501    
 H    4.79477692       1.13076937       5.19311333    
 O    2.07564878     -0.657241762       6.82570171    
 H    2.81704712     -0.194801167       6.40204477    
 H    1.35080481     -0.597437322       6.19409132    
 O    2.39836454       1.49332428       8.68186283    
 H    2.10263872      0.723872185       8.17906284    
 H    3.34545946       1.35329866       8.82449627    
 O    6.15242672       1.58424652       4.06381035    
 H    5.90238953       2.46245360       3.75262547    
 H    5.99073601      0.934927762       3.36644483    
 O    1.85810268       2.42858052       5.06410885    
 H    2.66028547       1.91890097       5.26549816    
 H    1.79848254       3.07458329       5.77647638    
 O    9.36330128     -0.939329982       5.00824022    
 H    9.09358978      -1.71809816       5.51121950    
 H    9.04338646      -1.08304989       4.10891962    
 O    6.96315289      -3.55471754       3.99175429    
 H    7.44395447      -2.98591924       3.37920642    
 H    6.03241491      -3.30626202       3.90567374    
 O    4.42127275      -2.37086964       3.85047865    
 H    3.54563403      -2.13367891       3.51399660    
 H    4.35431719      -2.40858245       4.81625271    
 O    8.18425465      -1.47612095       2.42043090    
 H    7.31238842      -1.07110214       2.28311253    
 H    8.59388828      -1.53882539       1.56082535    
 O    2.08431578      -1.28809130       2.86608434    
 H    2.39513302     -0.625437915       2.23787284    
 H    1.45438206     -0.841884971       3.44363141    
 O    8.12075996      -3.12601304       6.40893602    
 H    8.42157269      -3.94755864       6.78727150    
 H    7.65885019      -3.35255384       5.58165932    
 O    7.01278877       3.08993530       7.72027969    
 H    7.44170189       2.43023968       7.14679193    
 H    7.70833826       3.52145576       8.21005249    
 O    2.30477738       3.89927554       7.42349577    
 H    1.84759331       4.53406525       7.96846771    
 H    2.30049133       3.05702972       7.91335964    
 O    7.93200207       1.13229322       6.06431961    
 H    8.58229160      0.490895987       5.74362373    
 H    7.34620571       1.32336259       5.31569862    
 O    5.61797667     -0.455038041       2.29641390    
 H    4.89656830      -9.81849134E-02   1.76413286    
 H    5.22958231      -1.12719202       2.88049269    
 O    2.97710896       2.91789913       2.54043555    
 H    3.74483347       3.44528913       2.79264188    
 H    2.46039391       2.81563115       3.35032630    
 O    5.27671146       4.20058775       3.57304358    
 H    5.11293697       4.31315756       4.52743387    
 H    5.73485088       4.98280048       3.27815533    
 O    4.89701271       4.38016510       6.24461079    
 H    4.05462313       4.22771788       6.68914604    
 H    5.58818054       3.99261212       6.79455948    
 O    4.26667547      -2.42713523       6.58543825    
 H    4.99372816      -1.89312708       6.92843390    
 H    3.44654059      -1.98977172       6.84634972    
 O    3.32689047      0.648016572       1.11436427    
 H    3.18740296       1.48353660       1.59466171    
 H    3.01715589      0.787472427      0.223400995    
 O    5.14775944       1.11993062       8.45761299    
 H    5.78579760       1.83971584       8.37700939    
 H    5.63231659      0.295886517       8.30556107    
          69
 Energy    -248.01264960842872     
  O     -1.36582518      5.06077756      2.11547114
  H     -2.04358253      4.48193579      1.74098400
  H      0.60346284      1.74521010      2.32004744
  O     -3.19786064      5.37903826     -1.30381015
  H     -0.62471417      5.05072046      1.48465723
  H      0.00847106      3.45826490     -2.53549615
  O      4.31877058      6.89127589      0.58661006
  H     -3.05346670      4.69671867     -0.63287105
  H      1.32603925      2.66269075     -2.48377038
  O      1.75859817      7.57425547      1.15588573
  H     -4.02043165      5.13412125     -1.74548940
  H      0.81679003      7.92624928     -1.88467492
  O     -0.55664239      5.14799491     -2.16603379
  H      3.42759237      7.21896845      0.80359773
  H      0.56214016      6.57918513     -2.56968327
  O      2.58441181      2.99308997      0.51462779
  H      4.90569722      7.64171142      0.63097375
  H     -2.97449049      0.05459226     -2.41651019
  O      0.70495006      5.07545460      0.32704160
  H      1.17040616      8.13729122      0.63687669
  H     -2.41207020      0.69156951     -1.13773405
  O     -2.13216936      7.32737010      0.39715190
  H      1.34295140      7.40930531      2.01584705
  H      2.89986704      4.72022369      3.66283052
  O     -1.03165082      1.55428841     -0.38854587
  H     -1.50184107      5.27157738     -2.01482121
  H      2.75247596      4.70490569      5.20364943
  O     -2.91806304      3.33286719      0.60295535
  H     -0.13100384      5.13825989     -1.29418136
  H     -5.48979319      3.39586143     -1.67929728
  O     -0.08579173      8.89988878     -0.44995080
  H      2.82154725      2.87419030     -0.41458939
  H     -6.00765987      3.93187176     -3.02288127
  O      0.84016488      1.08169303      1.64568499
  H      2.06809135      2.23288909      0.80674380
  H     -0.41798440      3.67794339      3.08346359
  O      0.36745322      2.56046777     -2.47812088
  H      1.36066039      4.37006952      0.39055684
  H      0.93412922      3.54760810      3.80787663
  O      1.21836604      7.28475542     -2.48046561
  H      1.15205230      5.91039355      0.51531085
  H      3.26521835      4.03096800     -2.14055210
  O     -3.22690074      0.35774904     -1.54754528
  H     -1.96186347      6.72546342      1.12842358
  H      3.86473149      2.75148597     -2.77068195
  O      2.25353250      4.73471712      4.39199411
  H     -2.59993988      6.79770826     -0.26331410
  H     -0.26706080      6.27467410      3.19085962
  O     -5.52767107      4.18594896     -2.23812407
  H     -0.41185357      1.30280397      0.30511350
  H      1.10502399      6.13769903      3.87537825
  O      0.22476895      3.03347432      3.40067808
  H     -0.51750358      1.88988385     -1.14087075
  H      4.19374569      5.40399135      1.75072470
  O      3.16232171      3.06258901     -2.20691636
  H     -2.22032671      2.74493570      0.27565179
  H      3.55752619      4.00134433      1.67455139
  O      0.50959011      6.77768649      3.46282722
  H     -3.75738154      2.90674661      0.39711675
  H     -4.53224939      1.34392661     -0.91774615
  O      3.93635201      4.64629860      2.28870561
  H     -0.39184134      9.79944555     -0.52762730
  H     -5.79527649      1.42798859     -0.02704089
  O     -5.16837849      1.95904466     -0.51175730
  H     -0.85165099      8.36858477     -0.16774367
  H      2.70984421      6.30782859     -2.14125699
  O      3.43064445      5.71415337     -1.88386717
  H      1.04632165      0.27535285      2.11052174
  H      3.82931016      6.09302519     -1.09349057
          69
 Energy    -248.01260314344950     
  O     16.26471501     12.00332405    -14.28991421
  H     15.40927919     11.63277851    -14.54399208
  H     19.30278349      7.72969041    -16.91181831
  O     14.31210195      6.49969973    -16.11023310
  H     16.87289155     11.83587962    -15.01916867
  H     17.13031069     10.63001686    -16.60832810
  O     18.50726296      6.28502325    -12.54851181
  H     14.53535275      6.17306062    -16.98877436
  H     18.59848989     10.46062488    -16.97740761
  O     19.22695697      9.06923247    -18.20083170
  H     15.12644189      6.92857246    -15.79764392
  H     17.45578307      7.53362809    -15.66112517
  O     16.75648100      8.23734832    -18.94513321
  H     19.32260827      6.63973601    -12.91898623
  H     16.62542918      8.06675459    -14.44639307
  O     14.55134486      4.69623794    -14.05559093
  H     17.87468334      7.02016049    -12.56759419
  H     15.55405601      2.48971234    -11.88967194
  O     16.64067949      8.28437321    -12.69012379
  H     18.36711172      8.76364713    -18.54530766
  H     16.77868264      1.75389572    -11.29888224
  O     17.61963679      4.74332466    -16.67777231
  H     19.78898339      9.21390436    -18.95723664
  H     13.45443916      7.65931939    -14.85610075
  O     13.87133783      2.59569092    -12.42376801
  H     16.40135333      7.34849289    -18.82624377
  H     13.54638611      7.81521307    -13.32131084
  O     19.30344852     10.07615646    -13.94804364
  H     16.18844555      8.82725958    -18.43027684
  H     20.14782581      8.57798911    -13.89258383
  O     15.71091934      5.61262659    -18.40162501
  H     14.34827755      5.21271659    -14.84556348
  H     21.49231996      7.82601303    -13.73004530
  O     19.14451603      7.04677855    -16.24732850
  H     15.50848024      4.54907167    -14.05599727
  H     17.15219296      3.51026492    -13.22088318
  O     18.02049175     10.91561685    -16.35367889
  H     16.73541665      9.17317191    -12.32948828
  H     17.74993794      4.91110844    -13.48950013
  O     16.58385156      7.83843687    -15.38465824
  H     15.82403294      7.87518444    -12.37400108
  H     17.32882161      5.61659831    -11.11112089
  O     16.50061113      2.58045216    -11.68448080
  H     17.50448248      4.40899143    -15.77994522
  H     16.50321641      4.35208521    -10.86677020
  O     13.28881748      8.27385102    -14.12845866
  H     18.26457847      5.46048815    -16.60517693
  H     13.58866959      9.92285372    -14.64178698
  O     20.56620738      7.69705307    -13.91481766
  H     13.97456661      3.31858072    -13.06521005
  H     12.94022750     11.25996696    -15.06203990
  O     17.28467402      4.17319632    -13.90973594
  H     13.00585143      2.70634611    -12.03816581
  H     14.44194916      5.98722237    -12.73646393
  O     16.53610137      5.29475411    -10.66425054
  H     18.88078661     10.36926209    -14.76576254
  H     15.10005652      6.23853021    -11.38102730
  O     13.77480800     10.80018066    -15.01992506
  H     18.73105392     10.36750116    -13.22995953
  H     16.87477531     11.37853169    -12.80022209
  O     14.51285602      6.64888476    -12.03377708
  H     15.56213331      4.95331473    -19.07416718
  H     17.32569052     11.52801025    -11.32525096
  O     17.27918197     10.90891940    -12.04797428
  H     16.38663913      5.24922611    -17.80017480
  H     15.90557921      9.10475692    -16.40740982
  O     15.55081111      9.81272220    -16.97189436
  H     19.72687384      7.21895220    -15.49698432
  H     14.82257865     10.20364677    -16.47760888
          69
 Ord_Energy   -248.012421    
 O   -9.76629543      -1.59229541       6.28256369    
 H   -9.66035366      -2.53387856       6.46487093    
 H   -8.99369240      -1.15753877       6.66419888    
 O   -4.74269915      -4.32444477       2.13117433    
 H   -4.41578150      -4.99917650       1.54089916    
 H   -5.60399103      -4.03835440       1.77954161    
 O   -6.07479858      -1.91980743       5.21291876    
 H   -6.52772808      -1.63525856       4.40404844    
 H   -5.95899010      -2.87355995       5.13723898    
 O   -8.65662575       2.02789712       1.26120973    
 H   -9.15410805       2.10108709       2.08504796    
 H   -9.05935097       1.32298362      0.738074958    
 O   -9.97384930     -0.641266644       3.74098825    
 H   -9.98200893     -0.998013139       4.64213991    
 H   -10.0402889      0.319158852       3.80180931    
 O   -3.51032972      -1.71141589       2.04150224    
 H   -3.86526394      -2.60711312       2.07527184    
 H   -3.89535928      -1.29379153       1.26200891    
 O   -5.87554598      -4.66792393       4.71284008    
 H   -6.78948498      -4.85493183       4.43527269    
 H   -5.34575081      -4.62559175       3.90965986    
 O   -10.6981936      -1.95685422       1.43374610    
 H   -10.5707073      -1.50637877       2.28151202    
 H   -10.3635349      -1.35048330      0.762648582    
 O   -9.80461788       2.14526081       3.86587763    
 H   -9.00498104       2.09100819       4.42133188    
 H   -10.3716593       2.80096006       4.26208830    
 O   -9.51724625     -0.130722344     -0.403444111    
 H   -9.89164162       6.34854734E-02  -1.25931025    
 H   -8.67768764     -0.595592380     -0.568401814    
 O   -7.16357899      -3.37150049       1.30657911    
 H   -8.00275612      -3.84338307       1.36559606    
 H   -7.23866034      -2.59332538       1.88260651    
 O   -4.75688362     -0.212306783      -7.43922591E-02
 H   -5.23117542      0.330634832      0.581085503    
 H   -4.22491884      0.386430740     -0.592705488    
 O   -7.31034327     -0.397944123       7.08741856    
 H   -6.83116627     -0.984791696       6.47586536    
 H   -6.86211777     -0.451926440       7.92733908    
 O   -7.18978405      -1.48650479     -0.780297995    
 H   -6.33104801      -1.06055188     -0.669613063    
 H   -7.18298244      -2.23908114     -0.174335718    
 O   -9.73424530      -4.44932508       1.66829133    
 H   -10.1371613      -3.56635904       1.57810259    
 H   -10.2757301      -5.05133247       1.16567183    
 O   -6.72203112      -4.95587111       7.32606697    
 H   -6.07347965      -5.33018303       7.91642141    
 H   -6.30604315      -4.93792725       6.44870901    
 O   -6.15971518       1.15095675       1.79888594    
 H   -5.77795076       1.58574533       2.57029510    
 H   -7.00674915       1.57210946       1.58369517    
 O   -7.58194017       1.86052716       5.36797857    
 H   -6.69872665       1.99246240       5.00230789    
 H   -7.50991344       1.14049697       6.00600338    
 O   -8.49078083      -5.09240007       4.13684034    
 H   -9.02091980      -4.86403418       3.36488700    
 H   -8.98355293      -4.82439137       4.92087650    
 O   -9.35510731      -4.36162901       6.77384329    
 H   -9.92628098      -4.90977812       7.30670309    
 H   -8.44384956      -4.56421328       7.04562950    
 O   -3.91526079     -0.314857304       4.39754915    
 H   -3.66439939     -0.758210957       3.57369089    
 H   -4.56372690     -0.897491992       4.81196737    
 O   -7.36667633      -1.15181661       2.91309810    
 H   -6.96681786     -0.361006528       2.53117800    
 H   -8.27618408     -0.945970356       3.16962385    
 O   -5.02072716       2.11231995       4.17073488    
 H   -4.56425476       1.25771844       4.28714895    
 H   -4.37734222       2.79530096       4.33698940    
          69
 Energy    -248.01238132534121     
  O     14.46207960      6.61084080    -13.92051659
  H     14.93092292      7.41826587    -14.18778826
  H     18.18925750      5.90617000    -15.76264373
  O     18.14186182      7.81361308    -11.59482998
  H     13.85573627      6.87709022    -13.21680898
  H     16.47692347      9.06126954    -15.09143450
  O     18.11015745      9.61588708    -15.82344926
  H     17.65458188      7.08469754    -12.00726686
  H     14.98780728      9.50653587    -15.01283913
  O     11.58706191      8.84683697    -16.21107315
  H     18.01697565      7.72163298    -10.64239405
  H     13.26449497     11.29889318    -14.21227680
  O     14.86646537      8.57536360     -8.93613830
  H     18.66670229      9.06242611    -15.24955770
  H     12.68548297     12.45559765    -13.37136221
  O     12.91737936      7.68223069    -11.86583719
  H     18.08493181     10.48386870    -15.39487714
  H     16.53145241      5.88425424     -9.66952886
  O     16.74831271     10.07738219    -12.34011406
  H     11.39180269      8.89937683    -15.25781475
  H     16.26804778      5.24743059    -11.05084541
  O     15.29248966      7.51588810    -18.36461049
  H     10.75531417      8.93754595    -16.66821234
  H     11.66337950     10.03478994    -13.38521745
  O     13.45997096      6.15736933     -9.58971865
  H     14.28631295      7.81079563     -9.04220427
  H     11.69347419      8.55694097    -12.95114900
  O     17.71142657      7.03490933    -17.00548995
  H     14.59510274      9.21277093     -9.60836382
  H     19.16743732      8.00140674    -13.18196773
  O     13.45924426      6.74353612    -16.54666422
  H     13.40642809      8.48856836    -11.64653040
  H     19.30317160      7.04985424    -14.38067858
  O     18.52634889      5.39274699    -15.00659629
  H     12.97555945      7.10439777    -11.09507294
  H     15.95107581      5.89931846    -13.19198142
  O     15.66068729      8.96140933    -14.58550005
  H     16.30082393      9.69547398    -13.11255950
  H     17.39505369      5.44507953    -13.52465968
  O     12.90565958     11.52757005    -13.33859822
  H     17.30390978      9.36868040    -11.98868382
  H     16.49875146      7.93542152     -8.89318287
  O     15.95894657      5.26242338    -10.13517250
  H     14.62931950      7.20300435    -17.72336432
  H     17.75455253      7.56560407     -8.06846233
  O     11.25824298      9.17554071    -13.55360499
  H     15.04645480      7.15798743    -19.21333789
  H     16.66302871     10.16988272    -17.20189431
  O     19.44880897      7.96302631    -14.10499685
  H     14.32279091      5.75706130     -9.80137635
  H     15.61841106      9.32259216    -17.95097414
  O     16.80077645      5.65898794    -12.79494606
  H     12.98449465      5.52479254     -9.05857614
  H     13.73573352     10.67263318    -11.85830673
  O     17.35532087      7.47320922     -8.92913436
  H     16.89197165      7.10477282    -17.51024903
  H     15.14775438     10.14772614    -11.53015715
  O     15.79088467     10.21014263    -17.60682051
  H     17.95864282      7.93915205    -16.77882810
  H     18.43622702     12.52560532    -13.82512028
  O     14.22049698     10.09822566    -11.25391992
  H     13.76046183      6.53385836    -15.65293104
  H     17.53615446     11.34067463    -13.43708734
  O     17.89325627     11.83268912    -14.19312594
  H     12.75159714      7.39236060    -16.44787989
  H     13.02606653     10.04059506    -16.08272404
  O     13.75495533     10.61319691    -15.80899642
  H     19.03926794      4.67569328    -15.36994846
  H     14.41239445     10.62398449    -16.52124994
          69
 Energy    -248.01232565781942     
  O     19.85337229     14.67111144    -13.79970646
  H     19.11714232     14.04765010    -13.89304874
  H     18.85979588     17.65406792    -14.49667513
  O     18.09341045     11.44319541    -16.33244327
  H     20.38963401     14.36902554    -13.05465532
  H     15.30911825      9.61770754    -12.64688581
  O     17.81542937     11.38668736    -11.73948694
  H     17.52998511     10.67053264    -16.20308096
  H     16.76495294     10.06412713    -12.33586857
  O     16.79048581     15.32865639    -16.28800310
  H     17.97380278     11.99171570    -15.53983138
  H     14.88375829     13.11538631    -14.91790899
  O     21.07028862     13.71811596    -16.16949494
  H     17.64413793     12.20597258    -11.25636257
  H     15.61057335     14.46433140    -15.27442086
  O     20.59464369      8.16681904    -12.28269000
  H     18.76753749     11.28059520    -11.87522399
  H     19.20509137      7.61663709    -15.64135750
  O     16.91195137     13.83898935    -10.71200399
  H     17.32250644     15.93758697    -15.76117372
  H     18.43711530      6.48740993    -16.36677660
  O     21.30431892     13.47731781    -11.77389125
  H     17.41001446     14.83884264    -16.84234552
  H     20.56944911     10.00716471    -12.34439424
  O     18.10636731      7.30360147    -12.90840696
  H     20.75745488     14.14747317    -15.36172019
  H     20.52570497     11.05009239    -13.49230429
  O     14.46258463     12.93291800    -11.97964461
  H     20.35213320     13.81804164    -16.80553337
  H     17.69072735     12.32366920    -13.28737428
  O     20.73848276      8.32133901    -15.16172971
  H     21.01949025      7.54497880    -11.69832143
  H     16.87254814     13.30225335    -14.18358890
  O     18.36142156     16.84518860    -14.41875938
  H     19.68880289      7.83921204    -12.43056542
  H     13.89275714     11.32765671    -12.31665278
  O     16.23541511      9.37082483    -12.75632645
  H     16.98847514     14.25963532     -9.85934005
  H     12.78248212     10.24792735    -12.30327585
  O     15.18403184     13.96580818    -14.55903155
  H     16.83776065     14.55516988    -11.36711291
  H     15.07568539     10.72402172    -15.55932303
  O     18.32198038      7.22999657    -15.77996985
  H     21.09095809     12.54947826    -11.96157970
  H     14.05576737     11.02553028    -14.45542837
  O     20.45626007     10.94783784    -12.53145025
  H     22.21256676     13.48340904    -11.48092322
  H     21.02581265     11.96713877    -15.60444839
  O     17.73933264     12.89512971    -14.06349505
  H     17.38902763      7.93348674    -12.75305794
  H     19.77525897     11.08929923    -15.70224784
  O     13.64851421     10.44477898    -12.64917888
  H     18.10282281      7.12947940    -13.85729872
  H     16.40833394      9.37984912    -14.58826556
  O     14.46644219     11.40150892    -15.24404869
  H     14.59354666     13.37249318    -12.82966668
  H     17.02246317      8.57712039    -15.75298261
  O     20.66078390     11.12026212    -15.31408418
  H     15.20723652     13.19485736    -11.42747993
  H     17.09064294     16.22855861    -13.15726419
  O     16.48290058      9.35257002    -15.55361436
  H     20.85808430      9.26770786    -15.31850442
  H     15.85766035     15.31967180    -13.26801625
  O     16.45521487     15.72786797    -12.63100600
  H     20.84486725      8.20012273    -14.21068465
  H     18.60266503     13.59107579    -18.72434742
  O     18.63726983     13.70605629    -17.77747795
  H     18.99516277     16.14193506    -14.19108171
  H     18.41770827     12.84356902    -17.38552911
          69
 Energy    -248.01216315347028     
  O     -3.62144729      1.59181457      1.79264371
  H     -3.73880366      0.98217616      2.53753717
  H     -0.55914168     -3.63495856     -0.99953481
  O     -3.66151620     -1.55213744      6.33885299
  H     -4.41064668      2.12669538      1.76156990
  H     -1.22605097     -4.89596991      0.68894825
  O     -0.77952150     -0.19474894      3.93966144
  H     -2.70971770     -1.74875280      6.33361002
  H      0.25133453     -5.30977849      0.57905621
  O     -3.53228827     -0.39640780      3.72434099
  H     -3.86076905     -1.19517373      7.20099581
  H      2.28790855     -0.48291268      3.59054618
  O      1.68117286     -2.99553874      5.74817582
  H     -0.07075050      0.43636675      3.77586490
  H      2.52168028     -1.83095904      2.89120553
  O     -4.56959059     -4.01141584      5.16092984
  H     -0.68222737     -0.87595707      3.25292685
  H     -1.19186552     -2.69527546      1.84546326
  O     -0.97606457     -2.07713479      5.92946958
  H     -2.57758172     -0.23315814      3.77094181
  H     -0.99664971     -1.25298992      1.25679899
  O      0.72324277     -5.34518961      4.36384818
  H     -3.77906397     -0.74018069      4.58970125
  H     -3.10545060     -3.57024831      1.85833728
  O     -6.16019596     -3.73250510      2.95583565
  H      2.01694442     -2.40396167      5.05116095
  H     -2.20181623     -4.30540380      2.89519147
  O     -1.76452622      0.17105191      0.31189197
  H      2.37947459     -3.08167675      6.39217880
  H      2.09201230     -2.25141696      0.41201294
  O      1.82738197     -5.30999052      1.73167664
  H     -4.41325945     -3.19408653      5.64760500
  H      1.04921318     -2.38356599      1.53342360
  O     -0.63104115     -2.78104580     -1.45413701
  H     -3.69032508     -4.38169985      5.00560704
  H     -4.06484752     -1.56585701      2.33008043
  O     -0.52550631     -5.09557978      0.05154103
  H     -0.08774644     -2.43862815      6.03916763
  H     -5.07575132     -2.70685200      2.02082051
  O      2.57188178     -1.39038693      3.75013261
  H     -0.88156489     -1.35346577      5.29142052
  H      2.13351352     -1.42747448     -2.07655795
  O     -0.63130070     -1.90910766      1.86560780
  H      1.14712493     -4.60160004      4.80971826
  H      0.85279946     -1.89298376     -1.34617317
  O     -2.31196180     -4.11065587      1.95392713
  H      1.10829136     -5.39326106      3.48028801
  H      1.34087841      1.05787861      2.09208760
  O      1.96496025     -2.60690424      1.29935409
  H     -6.76541919     -4.46609916      2.89273678
  H      1.88895553      2.04387506      3.14757030
  O     -4.34072177     -2.19386175      1.65069949
  H     -5.64528023     -3.87800102      3.76856535
  H     -0.01361257      0.72222831      0.30910470
  O      1.70584077     -1.43553766     -1.22501042
  H     -2.29950774     -0.39183556     -0.26103785
  H      1.31316641      0.11515243     -0.16437356
  O      1.49924979      1.17994859      3.04584819
  H     -2.37939056      0.74321929      0.79251299
  H     -3.74787721     -1.95877127     -0.02587326
  O      0.94571521      0.79214124      0.41541018
  H      1.96175511     -4.36239913      1.56137667
  H     -4.03197181     -1.87011506     -1.54033010
  O     -3.33601028     -1.79821961     -0.89182802
  H      2.62341067     -5.75566061      1.45197626
  H     -1.61650299     -3.64517923      5.06977021
  O     -1.84557614     -4.48447628      4.65206510
  H     -1.54546488     -2.50246551     -1.35069036
  H     -1.00718022     -4.96210470      4.55961289
          69
 Energy    -248.01193191500408     
  O     17.27199875      7.59556234    -12.87155775
  H     17.92470597      7.77993662    -12.18144451
  H     13.27257140     10.50959035    -13.97730544
  O     13.98060304     12.67891923     -9.83732393
  H     17.63375849      7.86564310    -13.72500227
  H     12.34372835     11.79812924    -12.33289307
  O     17.98942962      8.63106907    -15.38898198
  H     14.51807865     11.88255007     -9.71404180
  H     13.51872427     12.59883434    -12.93434256
  O     11.69316677     11.43483328    -10.58016750
  H     14.35661484     13.13569837    -10.59936990
  H     15.84506630      8.01895900     -7.58514489
  O     14.89270628      6.22946215    -12.37032025
  H     18.38739398      8.14902258    -16.10965083
  H     16.50032865      7.98573116     -6.18812812
  O     18.96466324      8.28357299    -10.77393364
  H     17.12769171      8.95053224    -15.70922574
  H     14.98506057      9.45642749     -9.46716323
  O     20.80470879     10.02714074    -11.97400127
  H     12.46702610     11.91523467    -10.23441559
  H     15.43698690     10.14191057    -10.78440451
  O     17.87658745      9.99762920     -8.82891986
  H     10.92214058     11.84788139    -10.20004425
  H     17.62516395      6.84350108     -8.31946578
  O     12.33073103      8.66773603    -10.24457278
  H     15.03020297      5.85845090    -11.49037612
  H     18.36788423      6.85222927     -9.67587992
  O     15.57619099      9.54456891    -16.25058048
  H     15.73737246      6.62719111    -12.62028894
  H     17.88377167     12.18561017    -11.83660891
  O     12.58971222      7.52624865    -12.86353700
  H     18.57312756      8.88649263    -10.12558710
  H     16.77421956     11.37055270    -12.57740431
  O     13.65653558      9.67709762    -14.29622810
  H     19.70010107      8.76576720    -11.17263161
  H     15.28157285      4.50704874     -9.37327025
  O     12.81114733     11.98174422    -13.15745073
  H     20.31929063     10.29938111    -12.77391323
  H     16.33543543      5.62532272     -9.55181330
  O     16.69805034      8.04068229     -7.11970934
  H     21.73273936     10.12825324    -12.16601207
  H     15.02643146      9.85197619    -13.10427209
  O     15.36038591     10.26913046     -9.82741175
  H     17.00795313     10.21797216     -9.20214294
  H     16.28137653      9.07710833    -12.60413124
  O     17.87216803      6.28747080     -9.06948877
  H     17.68052223      9.42699970     -8.07875307
  H     18.83708965     10.11572295    -14.58016158
  O     17.27310602     12.20183331    -12.58969778
  H     12.08633540      9.59591203    -10.34434758
  H     18.59272494     11.38497613    -13.72386467
  O     15.41011387      5.38106867     -9.73221086
  H     12.36947020      8.30069198    -11.13590494
  H     13.59717520      8.09580078     -9.15771282
  O     15.77669901      9.89379772    -12.49947662
  H     15.31403204     10.14142437    -16.94723924
  H     14.68584225      6.99092316     -9.09229422
  O     19.28168654     10.80494596    -14.07260486
  H     14.85662106      9.56732343    -15.59898637
  H     19.79547124     11.34227412    -10.94044698
  O     14.42649584      7.84365885     -8.72058501
  H     11.94589546      6.89208308    -13.16828450
  H     18.75748771     11.35506209     -9.80677274
  O     19.09974625     11.87911178    -10.54257281
  H     13.41671017      7.03385567    -12.70632436
  H     15.83250308     13.24013804    -12.45189085
  O     14.98248012     13.69507677    -12.33103884
  H     13.20072491      8.94528507    -13.86163338
  H     15.12646788     14.60601555    -12.57527480
          69
 Energy    -248.01186826695101     
  O     16.66298552      9.27292577    -16.49639894
  H     15.73676080      9.52804007    -16.41544883
  H     17.80814716     10.12897202    -17.49139307
  O     15.10319704     12.69298757    -16.23904315
  H     16.98171002      9.14502675    -15.59257588
  H     15.30471388     12.83903091    -11.63229924
  O     18.74759442     11.02653121    -10.50089738
  H     14.56069827     11.89754933    -16.29137848
  H     13.92222330     12.84958161    -10.94329339
  O     19.49044489     13.41894338    -11.92900038
  H     15.78221391     12.49216269    -15.57771338
  H     20.40539596     11.86159686    -14.51551584
  O     13.99736715     10.20047587    -13.29591222
  H     19.03728814     11.90746114    -10.76245739
  H     21.64598629     12.35585667    -13.71063668
  O     16.11712765     10.20822488    -10.20294782
  H     19.18498622     10.41887671    -11.10944375
  H     15.79384179      8.90339231    -11.25025975
  O     17.44990290      9.25387980    -13.79521192
  H     19.81263856     14.27579277    -12.23145822
  H     15.38861132      7.43304185    -11.53001514
  O     16.84028200     12.97042169    -18.49451339
  H     19.92450747     12.77478823    -12.50488773
  H     16.51733452     15.72503111    -17.24133605
  O     19.09454598     15.01948637    -15.58992753
  H     14.12048517     10.95866019    -12.71225386
  H     17.29133746     14.69523382    -18.06972659
  O     19.26111384     12.23931624    -15.81426930
  H     14.43288604      9.45893246    -12.85819581
  H     20.39843503     16.58495430    -13.16133205
  O     13.95425052     10.15613378    -16.00452250
  H     17.03379001     10.52109993    -10.22276631
  H     20.04480364     15.49815198    -14.20192562
  O     18.46341237     10.65713169    -17.98228617
  H     15.56399211     10.94957352    -10.47522357
  H     16.02253011     15.65853642    -14.72643194
  O     14.54416328     12.28233262    -11.39216821
  H     16.83895136      8.83566012    -13.17453463
  H     17.53558130     15.41520560    -14.57981079
  O     20.91702277     11.72066828    -13.70442191
  H     18.32669642      9.24227479    -13.39202289
  H     23.34652791     14.22241088    -14.30309198
  O     15.59667219      8.25893401    -11.95640345
  H     16.18642316     12.83178367    -17.79701227
  H     22.02324815     14.56790222    -13.60371800
  O     17.38042732     15.55741169    -17.63491803
  H     17.41992925     12.20186014    -18.45449569
  H     20.67258771      8.80009348    -12.41366112
  O     20.53683829     15.66665349    -13.37866439
  H     18.59033511     15.32625903    -16.35903138
  H     20.40326456     10.21151538    -12.98638245
  O     16.73362404     15.60405188    -14.07597858
  H     19.22835131     14.07104896    -15.71791803
  H     17.03395831     11.03071956    -14.07244915
  O     22.66413759     13.85500260    -13.74600441
  H     19.12657838     11.73086024    -16.62251111
  H     16.89258047     12.50514006    -13.55431743
  O     19.98252332      9.44035292    -12.56762378
  H     18.44010994     12.16100112    -15.30257118
  H     13.98595375     15.71763968    -16.45146656
  O     16.98034102     11.95683765    -14.34274219
  H     13.93940314     10.17522165    -15.03020753
  H     14.85824834     14.46345176    -16.22072076
  O     14.85549383     15.43510533    -16.18110443
  H     13.16022910      9.70773404    -16.28230165
  H     17.66507264     13.60091355    -11.95303315
  O     16.72906983     13.69556101    -12.17116838
  H     18.84799704     10.07922872    -18.63540380
  H     16.65298160     14.44741042    -12.78113757
          69
 Energy    -248.01167669132133     
  O     11.72922634     11.82867276    -15.62421184
  H     10.99080028     12.29490184    -15.24130405
  H     15.06864524     10.98330700    -12.52685593
  O     13.37663638      9.90473050    -19.80775849
  H     11.96482599     11.11372240    -15.00637675
  H     17.51767603      9.94575461    -15.36279632
  O     11.54860859      7.37841115    -16.41846090
  H     12.89354352      9.88942088    -20.62933904
  H     17.18167170      8.66890798    -14.49997517
  O     14.23485412      8.42508006    -10.07354542
  H     12.71508736      9.89796716    -19.09034027
  H     16.93287940      6.70070469     -9.83299808
  O     14.47639251     12.07465125    -16.15946840
  H     11.41599765      7.27495532    -15.46891745
  H     15.61073277      7.36979276    -10.28544020
  O     17.88562885     11.41098659    -18.62820078
  H     12.27983978      6.79028369    -16.64108609
  H     14.01642487      5.02627908    -17.39592036
  O     15.22720733     11.86425534    -18.91906509
  H     14.31005310      9.14027325    -10.72053505
  H     14.30638214      6.53779384    -17.54096994
  O     14.22281436      5.10398422    -11.58272520
  H     13.42139222      7.94828810    -10.27726902
  H     15.69802094      8.81140040    -12.78577387
  O     11.68346743      9.82671332    -17.73413440
  H     13.52972764     12.22564058    -16.04563769
  H     16.43805236      7.55946053    -12.25988625
  O     14.70219743      9.33431974    -16.02129244
  H     14.58513299     11.10904509    -16.15791066
  H     11.53374653      6.17942927    -10.17720278
  O     14.83478092      7.92829560    -18.45561030
  H     16.94816221     11.59725971    -18.81805303
  H     12.81024771      6.00174745    -11.03321893
  O     14.61874056     10.17809154    -12.23741695
  H     18.39829538     11.87905018    -19.28163145
  H     14.36178624      6.09519712    -15.12010162
  O     17.39910868      8.98594500    -15.38732331
  H     14.60526344     11.23015846    -19.29734781
  H     15.04753065      6.86902985    -13.93809693
  O     16.31979337      6.75908692    -10.56031191
  H     14.87787367     12.09597344    -18.05062476
  H     17.57079559      8.58763630    -17.21407520
  O     13.95969397      5.86013040    -16.93577483
  H     15.00978183      5.49690877    -11.18464553
  H     17.69021286      9.51505382    -18.43227204
  O     16.23866969      8.05721789    -13.06216123
  H     14.28762410      5.29813436    -12.52795419
  H     13.35367906      9.50491937    -14.83489674
  O     12.09403688      6.62343066    -10.80847657
  H     11.56769406      8.98254919    -17.27253944
  H     12.26047795      8.90910846    -13.90630209
  O     14.36482267      6.22395427    -14.16400925
  H     11.58617950     10.52428463    -17.07923174
  H     12.70290870      6.83587615    -13.78653670
  O     17.45353105      8.61623199    -18.17386240
  H     15.62029022      9.17962728    -15.76342144
  H     11.72285937      7.04483905    -12.61571027
  O     12.68482879      9.73594633    -14.17116897
  H     14.58249700      8.89287304    -16.87012411
  H     17.74274043     11.69969668    -16.75772813
  O     11.83552502      7.20686593    -13.55949550
  H     14.38065611      8.53666523    -19.04990181
  H     16.46568647     12.02179001    -15.98019778
  O     17.38871352     11.76572272    -15.86065466
  H     15.78323512      8.13543571    -18.46358045
  H     15.12680429     12.42778043    -14.27746842
  O     15.74442318     12.34777564    -13.54044077
  H     13.86095052     10.06514057    -12.82774831
  H     16.60571187     12.27052094    -13.96405093
          69
 Energy    -248.01152721270159     
  O     -6.86700697      1.27045242     -0.14951760
  H     -6.20153210      1.97358838     -0.18423386
  H     -0.48116999      2.03543808      4.12388475
  O     -4.65952024      2.51775125     -4.20625169
  H     -7.23859670      1.31357150      0.74025045
  H     -1.47144773      3.88542516      3.00216533
  O     -7.49520604      1.36699879      2.60769628
  H     -5.36245583      1.97509526     -3.81019472
  H     -1.43786142      3.83661343      1.46062497
  O     -1.54321994     -1.28725259      2.62588768
  H     -5.06045172      2.97175003     -4.94207122
  H     -4.37939222      2.44875841      0.58851169
  O     -3.19061739     -1.20701237      0.44824354
  H     -8.33091732      1.50168498      3.04683783
  H     -4.77080204      3.93385600      0.51107863
  O     -5.91890519     -1.36080270     -0.01052961
  H     -6.89580068      2.06532620      2.92704966
  H     -0.21968187      0.94979143      0.41881331
  O     -2.68578004     -0.31246209     -2.13387721
  H     -2.19876860     -1.31698281      3.33408271
  H     -0.31958307     -0.40057071      1.17889647
  O     -3.01317947      2.46308024     -2.02235989
  H     -2.06185042     -1.42818427      1.81961109
  H     -1.97332918      2.05582815      0.73974344
  O      0.29536503      0.65961012      3.41271750
  H     -2.90466212     -0.92405543     -0.43081037
  H     -1.65007823      2.54231852     -0.68580847
  O      0.00736664     -0.80614086     -2.04422556
  H     -4.14069005     -1.36823580      0.37984977
  H     -4.93653986     -2.27055614     -3.35544878
  O     -3.74107725     -1.15022018      4.44080041
  H     -6.25294108     -0.45229938     -0.06061002
  H     -4.18998375     -1.16345998     -2.57687618
  O     -1.00264795      2.76924227      4.49495670
  H     -5.74488777     -1.62444006     -0.92267584
  H     -3.56102002      0.70637630      4.53566291
  O     -1.76049512      4.35343350      2.21013704
  H     -1.74261937     -0.50805618     -2.22972687
  H     -2.68553212      2.01086919      4.49966914
  O     -4.81315798      3.10654570      0.01904566
  H     -2.79142230      0.64863139     -2.12107018
  H     -6.45698142     -0.20541873      2.83448575
  O      0.22946866      0.10254835      0.56753840
  H     -3.66049695      2.74960814     -1.36238763
  H     -5.97043346     -1.32550554      1.90524085
  O     -1.26120087      2.42249555      0.19019784
  H     -3.45741355      2.56134816     -2.87726410
  H     -3.37717409      0.42541475      1.28380522
  O     -5.05556605     -1.59061493     -2.69738543
  H      0.72003156      0.71749820      2.55173040
  H     -3.47866853      1.41933687      2.49589783
  O     -3.56380757      1.64854111      4.32431643
  H     -0.33404560     -0.07045200      3.31603317
  H     -3.41670174      4.90080522      2.03626494
  O     -5.90380537     -0.99643818      2.80960652
  H      0.19997606     -0.53866997     -1.13133332
  H     -4.39620755      6.09196506      1.93291847
  O     -3.40704549      1.35570802      1.53707529
  H      0.84515933     -0.81500463     -2.49959158
  H     -6.78692004      1.04638736     -2.06217248
  O     -4.35279085      5.13979654      1.91378187
  H     -3.93353904     -1.76291851      5.14579603
  H     -6.09416574      0.00029221     -2.95462017
  O     -6.49451168      0.87833058     -2.96611713
  H     -4.52299175     -1.14052449      3.85849049
  H     -5.00823002      2.71514544      3.92502334
  O     -5.73766937      3.20570681      3.52117587
  H     -0.50330658      3.11878710      5.22845805
  H     -5.33302931      3.91872271      3.01384760
          69
 Ord_Energy   -248.011276    
 O  -0.922706485       4.49366045      -2.61478400    
 H  -0.703654706       4.45153952      -1.67198372    
 H  -0.792508781       5.40117884      -2.87825370    
 O   -2.46874499      -2.38074207      -3.79107356    
 H   -2.35353184      -2.00343776      -2.90610027    
 H   -1.89688945      -3.15757799      -3.82493067    
 O   -5.57675982      -1.15196550      0.527112067    
 H   -5.76999712     -0.588056684     -0.229593635    
 H   -4.96123457     -0.667870283       1.09671164    
 O   -1.37792003       1.88470018      -3.36537528    
 H   -1.23675716       2.83276844      -3.23606658    
 H   -2.13171315       1.63925254      -2.81106162    
 O   -1.57699013      -1.74312413       2.76290035    
 H   -1.91665578      -2.34896660       2.08099270    
 H   -1.48872173      -2.25242710       3.56427836    
 O  -0.256937951       4.12938643       9.14502293E-02
 H    2.63043004E-03   4.72738647      0.787518024    
 H   0.440326691       3.45103073       2.89254300E-02
 O    1.08117974      0.837258995      -2.60828710    
 H    1.43609953      0.497181743      -3.43831706    
 H   0.217879191       1.22114611      -2.82337737    
 O   0.739682317      -1.38343680      -1.01988482    
 H   0.902276993     -0.629443944      -1.60840988    
 H   0.586327374     -0.998907089     -0.144032553    
 O   -3.66973042      0.129148155       2.08349013    
 H   -3.01149154     -0.473697335       2.44729042    
 H   -3.16764665      0.855782628       1.69419122    
 O   -1.05189802E-02   2.59989593E-02   1.22844958    
 H  -0.415943235     -0.577086866       1.86338186    
 H  -0.703987181      0.659264863      0.988860011    
 O    1.56886292     -0.462602705      -5.06374884    
 H    1.96266758     -0.224158779      -5.89787149    
 H   0.601034403     -0.421205103      -5.18279266    
 O    1.56309009      -2.76513934      -3.44454551    
 H    1.47260487      -2.36812162      -2.57116771    
 H    1.65133023      -2.02847314      -4.06388807    
 O   -5.14056206      -2.33562040      -2.88647652    
 H   -4.29792356      -2.42002535      -3.35111761    
 H   -5.07807493      -2.89416242      -2.10220337    
 O  -0.548426032      -4.45576906      -3.62026691    
 H   0.248006284      -3.89498401      -3.64727163    
 H  -0.350591689      -5.24057293      -4.12436104    
 O   -1.11474061     -0.276535779      -5.15984440    
 H   -1.31469464      0.519104481      -4.64801311    
 H   -1.64889801     -0.990170002      -4.78930616    
 O  -0.357651412      -4.12666941     -0.778692961    
 H  -0.476022750      -4.36681175      -1.70622945    
 H   0.164324671      -3.31645632     -0.785302401    
 O    1.49780381       2.07948446      -9.37404186E-02
 H    1.18742251       1.36984336      0.482337177    
 H    1.50419199       1.71487737     -0.989057600    
 O   -2.48143101      -3.28860450      0.713266432    
 H   -1.78629041      -3.74092984      0.209853768    
 H   -3.34557414      -3.56577325      0.383962095    
 O   -5.04764700      -3.64067316     -0.304453433    
 H   -5.75086546      -4.23684978      -6.12125695E-02
 H   -5.28613329      -2.76219440       5.09126782E-02
 O   -3.34579730       1.06608045      -1.62269270    
 H   -2.93388844      0.200483188      -1.46690083    
 H   -4.27906466      0.896855772      -1.79473853    
 O   -5.93162775      0.123053961      -2.03489089    
 H   -6.73968744      0.393106341      -2.46198559    
 H   -5.68838453     -0.741726756      -2.41280985    
 O   -2.07002306      -1.30579877      -1.25614500    
 H   -1.10530841      -1.29157007      -1.24139845    
 H   -2.34344625      -1.90307295     -0.549625993    
 O   -2.00457835       1.92093098      0.632484913    
 H   -1.53802812       2.75064492      0.487501830    
 H   -2.51778388       1.73705697     -0.168281645    
          69
 Energy    -248.01127349902106     
  O     15.54172215     10.19685058    -15.78159544
  H     14.88193838      9.78058182    -16.32996621
  H     18.65463590     10.16421393    -17.00262410
  O     20.96912984      8.46367935    -14.13469013
  H     16.34745711     10.28063893    -16.32259573
  H     18.18762528     12.46039749     -9.55974562
  O     19.46917023     13.83315286    -10.11232262
  H     21.69172860      7.89442717    -13.88009323
  H     18.21697920     10.92124352     -9.56213112
  O     15.18109323     13.89468360    -12.71056777
  H     21.14205851      9.33308316    -13.72896629
  H     21.47689720     17.84358103    -12.97878535
  O     19.50587549      9.49459651     -9.73705084
  H     20.06576258     14.58925631    -10.10657282
  H     21.05308780     16.76014313    -11.97540468
  O     15.61468180     11.33343559    -11.45104918
  H     18.90897530     13.93489849    -10.89747325
  H     20.57189210     12.39737334    -10.28691250
  O     20.34280723      9.36934320    -16.69391756
  H     15.29149187     13.60261880    -13.63335231
  H     20.70310009     10.87012625    -10.06296466
  O     21.88197354     13.34505007    -14.18647000
  H     14.43288178     14.48475293    -12.69384013
  H     16.19081432      9.70207856    -14.08805835
  O     21.51910812     15.82732827    -10.43769562
  H     19.26459636      9.06666965    -10.57738376
  H     16.20125913     10.16234384    -12.59064447
  O     21.22784026     10.91467407    -13.04771702
  H     19.46900003      8.81819126     -9.06568142
  H     20.31876381     12.54542181    -16.51147662
  O     15.69065900     13.00661597    -15.22568958
  H     15.36476150     12.20142669    -11.78441836
  H     21.02118841     11.19071763    -16.65138912
  O     17.83903782     10.66222071    -17.13738015
  H     16.25335312     11.48225572    -10.73766170
  H     19.03034739     14.77439271    -13.57265336
  O     17.62169057     11.68012592     -9.55372390
  H     20.51857321      8.99627195    -15.81667181
  H     20.04954513     15.89597836    -13.87880368
  O     20.83823349     17.14874296    -12.83638642
  H     20.69693178      8.75132405    -17.33012224
  H     22.46277297     12.93015475    -11.10100136
  O     21.16720254     11.64272411    -10.41098036
  H     21.85753962     12.95677416    -15.07340037
  H     22.64872486     13.62072823    -12.47342094
  O     16.66179405      9.61726205    -13.25161822
  H     21.15428857     13.98158133    -14.15789206
  H     18.02344521      8.67626633    -12.50752724
  O     21.19087157     12.13480560    -16.55743970
  H     22.05414639     15.10972182    -10.82416752
  H     19.47635990      8.26960493    -12.84636028
  O     19.65991891     15.08776396    -14.23883179
  H     21.99902811     16.15040708     -9.67929603
  H     19.45571033     11.26030034    -13.40073081
  O     22.81856362     13.71992771    -11.52698364
  H     21.50871610     11.72627687    -13.49243637
  H     17.94134879     10.86980447    -13.50743649
  O     18.85330787      8.36187092    -12.11941842
  H     21.22986870     11.09660178    -12.09771740
  H     18.88601231     13.96942713    -15.55075213
  O     18.58240030     11.57566635    -13.65961859
  H     15.53561829     12.07031765    -15.40253471
  H     18.55063824     12.51522322    -15.16161472
  O     18.53862328     13.14085108    -15.90734493
  H     16.57350463     13.19973026    -15.55946194
  H     16.99063410     14.06038831    -12.40355191
  O     17.94786014     13.94212670    -12.39048394
  H     18.05641001     11.58312246    -16.94719030
  H     18.12234329     13.05705117    -12.74536955
          69
 Energy    -248.01117708785051     
  O     11.86708126      9.56979548    -15.38682040
  H     12.37082677      8.87828283    -15.83835807
  H     16.23697617      5.23133243    -15.35170360
  O     15.78374431      6.44383971    -12.62601396
  H     12.39158917     10.37482667    -15.46187179
  H     14.94455156     10.96121817    -16.75193866
  O     16.74393883     10.40222191    -11.29870489
  H     15.76652058      5.69823019    -13.24418440
  H     16.42163573     10.55845102    -16.65071804
  O     17.48247715     10.29273516    -15.16226007
  H     15.02226777      6.40000565    -12.03503393
  H     15.47765872      7.71490903    -13.80649313
  O     12.97998359      5.03253500    -15.46276364
  H     17.19940745      9.57347570    -11.50195269
  H     14.70564371      8.13888131    -15.11349078
  O     14.84419452      9.71822218     -9.42082138
  H     16.16048656     10.23492257    -10.54473978
  H      9.78328671      8.74326280    -13.17558595
  O     13.63550349      6.65708996    -10.90324645
  H     17.63150944     10.98402523    -14.50087447
  H     11.09464536      8.96668882    -13.96760496
  O     14.58122142     10.57840514    -13.06191305
  H     16.78366550      9.71481690    -14.82789075
  H     18.04752299      7.34072662    -10.24574998
  O     17.03649224      6.75413088    -16.21989726
  H     12.62066404      5.34991267    -14.61360705
  H     18.76174557      6.61189889     -9.09863447
  O     15.28341018      6.98107460     -8.63361050
  H     12.41707370      4.31879824    -15.75033325
  H     12.52693811      6.06823388    -12.32249204
  O     19.02019593      8.03142658    -14.49542928
  H     14.01663347      9.65953802     -9.91424854
  H     11.50764938      6.85013732    -13.17252957
  O     15.72218788      4.70988553    -14.72158328
  H     14.98995916      8.84012938     -9.04904485
  H     17.55991329     11.60411208    -12.36073748
  O     15.65515922     10.53275705    -17.24155756
  H     13.34697783      7.57243955    -11.03783518
  H     18.60247951     12.65681853    -12.77235057
  O     15.39683131      8.39835280    -14.48849055
  H     14.12963505      6.64580587    -10.07410269
  H     17.20353928      7.35668072    -12.12459038
  O     10.72192887      8.57775514    -13.15545204
  H     15.32124522     10.67573424    -12.44845832
  H     18.47043973      7.98238022    -12.75055383
  O     17.92032560      6.98228699     -9.35290215
  H     14.77420183      9.77961399    -13.57641975
  H     15.60884005      8.08107255    -19.26187517
  O     12.02555503      6.03613619    -13.14659580
  H     16.61103872      7.33298240    -15.57341416
  H     15.59487477      8.96566350    -17.99265294
  O     17.89981606     12.11076122    -13.11603568
  H     16.70446994      7.06627212    -17.06972952
  H     13.34298029      9.79745212    -11.95512180
  O     17.95081997      7.94588071    -11.93619039
  H     16.22761057      6.94337111     -8.86440614
  H     11.97201398      9.09735118    -11.86563528
  O     15.54307742      8.04553006    -18.31169709
  H     15.20766445      6.66564353     -7.73652409
  H     13.62918379     12.68324867    -15.39274084
  O     12.77680046      9.28032933    -11.36503735
  H     18.65479006      7.40597479    -15.13000847
  H     14.05368337     11.46718493    -14.54360484
  O     13.73178814     11.73473222    -15.42043171
  H     18.70528052      8.89606748    -14.79388774
  H     14.13935280      7.63326591    -17.15789784
  O     13.54479366      7.59456564    -16.39781285
  H     14.81051118      4.71961384    -15.03837616
  H     13.34856153      6.66945381    -16.19915227
          69
 Energy    -248.01115716952899     
  O     12.98145543     14.35692650    -16.60410957
  H     13.68774431     13.77963258    -16.94343280
  H     14.63061104      9.70333456    -16.58175392
  O     18.59736136      8.68780675    -15.50854931
  H     12.51447477     14.69871967    -17.36175200
  H     18.14736301      9.83275322    -16.94799553
  O     14.41677227     10.56183038    -11.47811139
  H     19.28021846      8.02139698    -15.49663984
  H     17.97637414     11.32123002    -17.38420849
  O     17.58746288     15.07556492    -14.90802118
  H     17.78686744      8.26344297    -15.18229954
  H     15.09984323      9.75700342    -19.17330965
  O     16.18510169      7.76058190    -14.49110112
  H     14.07136327      9.98587837    -10.78571734
  H     16.15674635     10.18291023    -18.12089388
  O     13.50239990      8.49988697     -9.79399696
  H     13.80933659     10.49318083    -12.22990929
  H     17.90872848     14.04816939    -13.36214147
  O     15.64919938      7.04555183    -10.63930483
  H     16.62967680     15.24693945    -14.89357696
  H     18.26928395     12.60756965    -12.95091496
  O     15.74588410     11.90925140    -14.66744152
  H     18.00951552     15.92388620    -15.02289513
  H     12.49241334     13.63321733    -13.55357799
  O     12.68829614     10.29657091    -13.64896816
  H     15.65245890      7.06865443    -14.07938973
  H     12.37787859     13.37196187    -15.05668891
  O     16.75763324      9.19449561    -12.13196895
  H     15.56797710      8.36699065    -14.92889442
  H     14.09718367      5.19940852    -13.24919416
  O     18.22657813     10.89837170    -13.74940561
  H     13.26229471      8.35197437     -8.88366004
  H     13.71582029      6.65452784    -12.88866937
  O     14.54019426      9.63936809    -15.62354416
  H     14.27457112      7.93592039     -9.97908835
  H     14.09666296     14.30920487    -12.25813033
  O     17.77558604     10.40540442    -17.62751875
  H     15.32095260      6.55373134    -11.40237821
  H     13.16062032     15.40245247    -11.68576426
  O     15.19875807     10.13782735    -18.30590100
  H     16.22422514      7.73099363    -11.00500171
  H     16.95270247     13.17109994    -17.31251458
  O     17.95856603     13.45319908    -12.60182518
  H     15.43457544     12.40562007    -13.90252779
  H     17.91868330     13.74514353    -16.28086058
  O     12.23629828     12.96058443    -14.19606035
  H     16.65530720     11.64628315    -14.47347384
  H     16.25718301     13.22111663    -12.11554947
  O     14.46611684      6.06149150    -13.07652243
  H     12.42900405     11.21224326    -13.83159192
  H     15.07442808     12.23965830    -11.72554714
  O     13.40065402     14.95200982    -12.49045286
  H     13.20234175      9.99504597    -14.40997607
  H     15.33159374     12.52904468    -16.32892723
  O     17.87200740     13.12777066    -17.02004840
  H     16.55724719      8.69331469    -12.93541651
  H     15.00973427     11.90446726    -17.71457452
  O     15.29543754     13.10614588    -12.09113740
  H     15.96218758      9.70085377    -11.91134696
  H     12.38320652      8.62440695    -12.85416117
  O     15.05473958     12.74079322    -17.23535880
  H     18.55290296     10.26546915    -14.39764670
  H     12.64751380      8.00945742    -11.46477447
  O     12.48271092      7.78339503    -12.38833859
  H     17.82114842     10.36437748    -13.04943187
  H     14.26100839     15.26355363    -15.50298169
  O     14.89198246     15.54737961    -14.83154294
  H     14.95337904     10.43656676    -15.25323096
  H     14.41029056     15.48696993    -13.99722617
          69
 Energy    -248.01111950455578     
  O     15.42263507     11.04525068    -10.30335493
  H     16.05594929     10.43879285     -9.90150589
  H     16.98707782      4.49969221    -14.38334098
  O     14.24919562      8.04779764    -15.35250431
  H     15.76822888     11.23536025    -11.18688596
  H     19.07283127      8.06382299    -11.91748646
  O     19.12572138      6.48272156    -12.76113559
  H     14.86490901      8.26264886    -14.63266441
  H     18.99431167      9.55020926    -12.33526184
  O     14.43787865     12.19004316    -14.73673737
  H     14.16066060      7.08661069    -15.33674113
  H     15.96876137      8.06670657    -12.53384614
  O     12.76367881      5.27982302    -12.09538796
  H     18.71402357      5.62065726    -12.63341977
  H     16.13028772      9.48316631    -13.16135130
  O     11.90698885      8.39013058    -13.95834371
  H     18.86286992      6.75839423    -13.64981776
  H     13.72510807     10.83058748    -10.34967474
  O     15.57974984      7.35570369    -10.91186183
  H     14.15699153     13.06438578    -14.99325914
  H     12.33023682     11.13222735     -9.74712595
  O     18.23594910      9.92569752    -16.42118455
  H     13.70115913     11.79773600    -14.23348871
  H     12.11075641     10.21274978    -13.56116170
  O     11.19679249      5.67213428    -14.50996427
  H     12.76611288      6.15821049    -11.69037012
  H     12.52940967     11.01579487    -12.31279677
  O     17.88467858      7.41319925    -15.10049759
  H     12.01644454      5.27216442    -12.70315719
  H     17.99760523      3.13087347    -12.43087570
  O     15.55952362     10.23966365    -16.48501318
  H     12.70279409      8.36526755    -14.51263434
  H     16.86775207      4.15942266    -12.19541657
  O     16.57283383      4.90592321    -15.15532094
  H     11.43723154      7.56918621    -14.14147453
  H     13.83181032      5.30650867    -13.80453894
  O     18.96904460      8.96516997    -11.57349914
  H     14.66317349      7.66398397    -10.94810368
  H     14.83730173      5.08522860    -14.96676304
  O     16.04244220      8.54540718    -13.36909255
  H     16.08248426      7.92114374    -10.31321759
  H     14.47855560      4.58528127    -11.52886384
  O     12.76982176     10.66362001    -10.45097669
  H     18.57890271     10.03416262    -17.30406917
  H     15.58744204      5.56065327    -11.13039351
  O     12.46554645     11.06408136    -13.27416783
  H     17.27088459     10.05368569    -16.47800759
  H     19.75572758     11.34152559    -13.94094391
  O     17.68466605      3.99070056    -12.69842272
  H     10.62557371      5.13370025    -15.05170693
  H     18.75772956     10.51020268    -14.77486340
  O     13.92059576      5.32935879    -14.76503952
  H     12.10730058      5.48457909    -14.79699397
  H     12.58998427      8.14549749    -12.25644346
  O     15.42660962      4.63442429    -11.36559087
  H     17.26030345      7.78369564    -14.45642281
  H     12.77370034      8.86473476    -10.90810993
  O     18.94399688     10.84237195    -13.88265082
  H     18.11405316      8.14123508    -15.68495837
  H     17.92005331      9.06690497    -10.21809970
  O     12.89708468      8.01426627    -11.34811627
  H     15.05473483      9.44117754    -16.27807920
  H     17.76574743      8.92254152     -8.68483367
  O     17.27468877      9.07871739     -9.48651550
  H     15.14752414     10.94975934    -15.97833360
  H     17.26630399     11.30369735    -13.24285011
  O     16.36240934     11.30283288    -12.90339292
  H     17.04681738      5.73559833    -15.29692670
  H     15.78194685     11.69793199    -13.56681533
          69
 Energy    -248.01098582639227     
  O     15.78891389      9.88584678    -16.13790190
  H     15.84269301      9.68914389    -17.08217369
  H     17.95886628      8.69206717    -18.34385072
  O     13.67203364      3.56248202    -16.13032059
  H     15.00923198      9.42759870    -15.80349200
  H     17.05655818      5.05924855    -15.42348119
  O     17.31178176      6.13510463    -12.08083794
  H     13.78763786      4.49913026    -16.36948689
  H     17.50581354      5.90525603    -16.61933114
  O     18.96189854      5.65624975    -17.77573830
  H     12.82164047      3.29180668    -16.46758798
  H     14.01911168      7.90780651    -14.22456123
  O     17.05446720      4.29934615    -19.33139438
  H     18.11522604      6.41146781    -12.54588666
  H     12.83800987      8.78383855    -14.70410158
  O     13.92741430      6.80014438    -10.19543536
  H     16.55561995      6.57603665    -12.48384317
  H     14.81169346      3.26073258    -10.13462027
  O     14.31174734      4.18876790    -13.45048142
  H     18.41722608      5.20965938    -18.43457605
  H     15.56101619      2.22969800     -9.25599410
  O     17.76190514      3.37210736    -14.98319859
  H     18.97339603      6.60835862    -17.96643364
  H     13.91969641      6.93512848    -16.16652976
  O     13.36891129      4.04153482    -10.79713039
  H     16.74057858      3.72747306    -18.60765720
  H     15.20273918      6.08704545    -16.36726327
  O     16.20870353      2.79941829    -17.23743608
  H     17.15936937      3.74027553    -20.09678818
  H     19.10025772      7.52806299    -14.11036660
  O     20.17747785      4.73457349    -15.49968547
  H     13.58817892      7.40891672     -9.54523388
  H     19.79170180      6.14756794    -14.19818828
  O     18.75629036      8.34496584    -17.92607684
  H     14.78491870      6.48017585     -9.85988768
  H     17.06145340      4.38445929    -12.27401738
  O     16.87953073      5.88922768    -15.88269049
  H     14.09455912      3.86036339    -14.32986986
  H     16.53817587      3.12088847    -11.54248995
  O     13.63282596      8.34814104    -15.00140100
  H     15.17043091      3.82560471    -13.19197712
  H     16.23629586      4.78633416     -9.47012112
  O     15.69473184      2.95011506     -9.86569623
  H     18.66591608      3.70729054    -15.04379750
  H     16.82850057      5.94619447    -10.29814129
  O     14.27147546      6.16836438    -16.63358580
  H     17.54132286      3.25542048    -14.04938443
  H     15.90913730      5.82263575    -19.32672169
  O     19.48500593      6.81696984    -13.57686416
  H     13.51776816      4.03060585    -11.75266959
  H     14.84169798      6.42382621    -18.38795380
  O     16.80887155      3.45610137    -12.40501417
  H     13.38206297      4.97232261    -10.54223855
  H     14.50398372      5.97685012    -13.17184528
  O     16.32339165      5.74657285     -9.49634475
  H     16.79752251      2.86664145    -16.47250688
  H     14.35903008      6.97879282    -11.99589469
  O     15.34284227      6.59228278    -19.19703494
  H     15.31780550      2.93400341    -16.89504383
  H     17.50473412      7.55132376    -15.33399791
  O     14.65101243      6.89928391    -12.91378430
  H     19.83393617      5.05811085    -16.35061179
  H     17.23408650      9.06647215    -15.41555348
  O     17.92190778      8.41648348    -15.21296982
  H     21.08988992      4.49685512    -15.64477788
  H     15.87847439      8.24963180    -19.05616384
  O     16.19216411      9.15529445    -18.88822041
  H     18.63649834      8.49884313    -16.97901272
  H     15.98315806      9.66641426    -19.66576605
          69
 Energy    -248.01095857054059     
  O     14.38084335      9.08247970     -9.30334306
  H     15.17108917      9.60615153     -9.53515600
  H     14.06740251      4.99025600    -16.13499276
  O     16.50158105      5.08177687    -13.42237322
  H     14.04831349      9.43085238     -8.48125086
  H     17.45455041      7.41949957    -18.01303469
  O     16.27664835     12.15136012    -12.34968456
  H     15.94547000      4.85987423    -12.66500251
  H     16.56896288      7.63839750    -16.76304519
  O     17.57021260     10.58489988    -14.44596994
  H     17.38181775      5.33754909    -13.11599659
  H     15.19267027     10.19928720    -15.94392591
  O     11.58393466      8.39406205    -13.69402523
  H     15.37254009     11.99555002    -12.66647572
  H     14.67038271     11.29588629    -14.99425199
  O     17.67877716      8.06343496    -11.23427548
  H     16.42460895     13.09307108    -12.40307818
  H     15.87821471      6.83886371    -13.38686368
  O     12.62170849      5.69677207    -13.34634583
  H     17.33183564     11.04702374    -13.63528331
  H     16.45190375      8.06540526    -12.65093569
  O     13.78181899     11.40063378    -13.30793641
  H     16.90573650     10.87262860    -15.08244308
  H     15.26662896      6.05364896    -10.35374844
  O     12.42612734     10.59743084    -16.80927199
  H     11.23563058      9.26659861    -13.91167742
  H     15.22130470      7.37084105     -9.53793285
  O     15.78915439      4.91117211    -16.09629466
  H     12.26581864      8.55840830    -13.02333441
  H     19.92568864      5.89264908    -12.86792208
  O     15.28524842      8.42731343    -15.88276881
  H     18.30208764      7.47534714    -11.67447991
  H     18.99204014      6.88590860    -13.60466191
  O     13.09659484      5.06284727    -16.09451265
  H     17.10124534      7.50545673    -10.68628129
  H     14.07093840      4.02169079    -11.12799640
  O     17.31317759      7.11991618    -17.11836458
  H     12.76080316      5.41733362    -14.26008527
  H     13.76517705      5.15198777    -12.13490667
  O     15.08047760     11.15974344    -15.85911053
  H     12.11413857      6.51415670    -13.39127934
  H     18.39821851      7.73732416    -15.65328779
  O     15.74354813      7.78410800    -13.24497322
  H     13.77866662     10.56976816    -12.80918816
  H     18.41810664      8.94954986    -14.68543712
  O     15.80323625      6.65581090     -9.82395517
  H     12.88249881     11.49964996    -13.64133861
  H     12.23011277      7.98632079    -15.35568324
  O     19.03402172      6.22850029    -12.88386804
  H     13.33627014     10.89714562    -16.68816598
  H     12.68683947      6.85864093    -16.31990170
  O     14.43619542      4.81282721    -11.51668194
  H     12.45747137      9.63152162    -16.82497196
  H     16.52132386     11.04326791    -10.85978473
  O     18.77824929      8.06284856    -14.82961604
  H     16.08242982      4.86654693    -15.17475511
  H     17.12098623      9.65731740    -10.51997128
  O     12.61356715      7.81710799    -16.22900051
  H     16.37207770      5.54445162    -16.52975936
  H     11.55314032     11.00447954    -15.35113588
  O     16.57976393     10.37740258    -10.16460263
  H     14.36322114      8.17491803    -16.02271885
  H     10.41911740     11.70549946    -14.56669489
  O     11.18236593     11.14414193    -14.46096014
  H     15.49665882      8.27538664    -14.94956448
  H     14.35978450      8.47937056    -12.39808074
  O     13.63296792      8.97125046    -11.98676464
  H     12.74492464      4.31065833    -16.56287455
  H     13.78841153      8.99304142    -11.03549305
          69
 Energy    -248.01094253259677     
  O     14.42661467     13.39398718    -10.46903066
  H     13.86325752     12.69279322    -10.11645715
  H     12.37668296     11.12266994    -14.41123398
  O     13.10377518     13.28868217    -16.45383077
  H     15.28378418     13.30525296    -10.03165390
  H     12.71035790     14.70064641    -13.47493587
  O     15.51983984      8.76921746    -11.94859416
  H     12.78792461     12.37575808    -16.45120741
  H     12.47724469     14.04045939    -14.86927890
  O     16.55687073     15.66198502    -12.75955378
  H     13.99203813     13.23769748    -16.82176503
  H     18.71457825     12.82586013    -12.94490280
  O     12.70977274     10.48276478    -16.05372342
  H     15.40080338      7.90436873    -12.36047691
  H     19.81986343     12.36885992    -13.92987350
  O     14.96345088      6.44493640    -13.41460858
  H     16.04617287      9.29887221    -12.56454353
  H     12.36649925     10.99271653     -8.82214648
  O     14.73680385      7.45469708    -15.92373996
  H     16.59643141     15.22430376    -13.61877782
  H     12.88291683     10.55429345    -10.21203611
  O     14.93837383     12.39250456    -13.06810208
  H     15.61796812     15.74909686    -12.55581644
  H     16.26662494     13.20169201    -18.01064801
  O     12.84450929      9.58888767    -11.67343226
  H     12.31535705      9.60305474    -16.09331818
  H     16.16680213     13.18458138    -16.46588980
  O     15.49886418     10.17096927    -16.18300363
  H     13.66869234     10.35715298    -16.09492461
  H     11.91794068      7.62733312    -14.94462401
  O     16.64077863     13.70790514    -14.85542000
  H     15.33685264      5.56828183    -13.44339369
  H     11.16009853      7.29931999    -16.25360238
  O     12.33139462     11.50262401    -13.52282882
  H     14.96058283      6.78025112    -14.32953368
  H     14.88160808     10.44398044     -9.37479138
  O     12.09958226     14.15802115    -13.98395077
  H     15.09109548      8.32916077    -16.13001775
  H     15.80856708      9.64441063    -10.31223927
  O     18.88060930     12.33751476    -13.77390826
  H     13.78435088      7.51067129    -16.07145606
  H     16.61436677     11.77295136     -9.41202398
  O     13.06919469     11.13203076     -9.45139156
  H     14.87325906     12.74167212    -12.17228780
  H     17.26733224     12.80383341     -8.46041235
  O     15.83603659     12.76613625    -17.27960440
  H     14.04727078     12.12004509    -13.32250732
  H     17.61421088     10.95287233    -13.72777341
  O     11.88682237      7.80584875    -15.90160535
  H     12.61192900     10.26572451    -12.32983097
  H     16.11037888     11.13957126    -13.42655060
  O     15.80775585     10.23599085     -9.54858992
  H     13.77118638      9.34315129    -11.80866131
  H     13.93607606     14.85626029    -11.42163121
  O     16.89892571     12.70128774     -9.33412406
  H     15.99120783     10.23550998    -15.35290344
  H     13.30108187     16.25475631    -11.57908121
  O     16.77179408     10.48398301    -13.70412836
  H     15.67400820     10.98282150    -16.67503167
  H     13.09889944      6.88596207    -13.21132475
  O     13.78175323     15.57869725    -12.05213555
  H     17.47587006     13.29698218    -14.59451408
  H     12.26807561      8.04725786    -12.63711026
  O     12.22895869      7.30292866    -13.25061246
  H     15.96463214     13.34347355    -14.26329726
  H     17.67538914     14.49915264    -11.89558805
  O     18.22905078     13.75858513    -11.60630655
  H     12.07927755     12.43453716    -13.61295335
  H     17.82926309     13.39980789    -10.80672086
          69
 Energy    -248.01081007784637     
  O     -3.55955245     -1.81977859      0.54453159
  H     -2.71472834     -2.10705263      0.15125887
  H     -0.73502621     -1.22833200     -3.81035082
  O     -1.87871277      4.11571180     -2.28477365
  H     -4.13499694     -2.57942854      0.54736847
  H      0.50273471      3.89563963      4.23987379
  O     -3.66987374      0.78801867     -0.56162953
  H     -1.73497964      4.39485145     -3.18627725
  H     -0.43208985      2.65338597      4.51562774
  O      1.91457913     -0.27117532      3.63190987
  H     -1.63472888      3.17602345     -2.24071079
  H     -3.75044521      5.54033683      1.43117700
  O      1.78128834      5.20198499      1.12314662
  H     -3.61871758      1.27533296      0.27480863
  H     -2.75824479      5.96601198      2.53195581
  O     -0.95004092      3.12529332      1.63005933
  H     -3.73563701     -0.14193386     -0.31563399
  H     -4.12548115      2.85859578      1.78866268
  O     -0.53220669      0.87583501      4.58277717
  H      2.55892261     -0.75401862      4.14233007
  H     -2.60511456      2.54813127      1.77680789
  O     -2.37816520     -0.28615050      2.65697354
  H      2.34782977      0.54876918      3.33421319
  H     -2.71383124      5.70769147      5.14024181
  O      0.14040572     -0.92511724      1.57047376
  H      2.16566172      4.45997026      0.64018619
  H     -1.69687195      4.86847869      4.35486540
  O      3.03727806      2.04106705      2.78803902
  H      0.93064636      5.39352794      0.70662041
  H     -2.16971406      1.16000715     -1.49372880
  O     -4.51737602      3.38182987     -1.36983448
  H     -0.91228846      3.95138334      1.12950771
  H     -0.65097346      1.41566258     -1.26325576
  O     -0.60273112     -1.10465689     -2.87341164
  H     -0.72559916      3.31360516      2.55033806
  H      2.64138140      5.25708955      4.16904156
  O     -0.41404544      3.59958988      4.30536100
  H     -1.21906929      0.41509338      4.08716593
  H      2.00045944      4.87062607      2.81472975
  O     -2.95288393      6.05803399      1.58780935
  H      0.30012102      0.44580290      4.35066916
  H     -6.08907955      4.50523970      1.18326238
  O     -3.48299182      2.14334699      1.85614440
  H     -2.80857830      0.56733754      2.50360018
  H     -5.00269681      4.02734608      0.19092587
  O     -2.36495677      5.56568146      4.26392165
  H     -2.84363340     -0.91055112      2.08647978
  H     -0.01335353      2.00265283      0.69272586
  O     -1.35093571      1.43522108     -1.93350875
  H      0.80860401     -0.83035630      2.26085377
  H      0.43469243      0.52230138      0.54163577
  O      2.15033800      4.56819395      3.72943300
  H     -0.71006867     -0.68911555      1.96951387
  H     -0.89985416     -2.04471829     -1.31354977
  O     -5.16282666      4.29001611      1.11475392
  H      3.08974980      2.24204075      1.84621503
  H     -0.53781236     -2.01944826      0.19662328
  O      0.47218280      1.38937862      0.11745153
  H      2.80276415      2.87335789      3.21675200
  H      2.00296894      2.23448275     -0.03157470
  O     -1.13471713     -2.41525131     -0.45205485
  H     -3.68847536      3.73692245     -1.71246596
  H      3.34973589      2.53088037     -0.73337864
  O      2.81872972      2.76162574      0.02430059
  H     -4.37563123      2.43226066     -1.26096684
  H     -1.16677347      5.05351211     -0.78111420
  O     -0.82589495      5.39266097      0.05418972
  H     -0.86103824     -0.19034086     -2.68534595
  H     -1.57642750      5.76237349      0.54985236
          69
 Energy    -248.01070187859281     
  O     12.84145907     11.88241976    -15.27107043
  H     13.76008586     12.11964798    -15.43630823
  H     16.64123859      9.63199227    -17.26318299
  O     14.42809327      7.00253300    -12.96868794
  H     12.70606139     11.02175816    -15.69387334
  H     14.33673600      9.16152474    -15.30032785
  O     17.94972022      9.28047320    -12.40346859
  H     15.29540226      6.65977598    -12.72848545
  H     15.86337463      8.80687577    -15.27333535
  O     17.42542187      8.39822984    -16.16808342
  H     14.61407435      7.73074305    -13.58281437
  H     12.09704331     11.79661833    -13.70996912
  O     12.21916801      7.06286952    -14.67496892
  H     17.26820340      9.93267306    -12.61764628
  H     10.99154747     12.31269152    -12.76094040
  O     15.55100627     10.14604444     -9.06824816
  H     18.09153554      9.32775361    -11.44962720
  H     17.00365182      6.49840536    -10.78492573
  O     13.04444451      8.18872972    -10.91519458
  H     18.22650651      8.68776964    -15.70715080
  H     17.40502268      7.54203104     -9.72603849
  O     15.85888456     10.99428393    -13.09925218
  H     17.33477852      7.44891695    -16.02202525
  H     11.58790201      8.55380094    -12.08087430
  O     14.32214997      6.19863180    -16.52709715
  H     12.94392528      6.81908041    -14.08215602
  H     11.18660600      9.77086762    -12.92018210
  O     14.54987897      7.48615400     -8.65323535
  H     11.64296593      7.61625598    -14.12367723
  H     19.08794324      9.26539728    -13.78611868
  O     16.79150438      5.76125022    -15.43362280
  H     14.96946358     10.55187029     -9.72378349
  H     20.47833540      9.27527510    -14.44948857
  O     15.99610508     10.23149057    -17.66725123
  H     15.12590112      9.31921823     -8.80658059
  H     17.14575067      6.24650456    -13.60071757
  O     15.09284831      8.99861116    -14.72342754
  H     13.53025215      7.72218628    -11.61259580
  H     17.44303007      7.47093287    -12.68611572
  O     11.69288777     11.67064301    -12.83310017
  H     13.41701689      7.89019353    -10.07766223
  H     17.19304266      9.71021171     -9.41049842
  O     16.87612832      6.74539550     -9.86061738
  H     15.21005108     11.06355046    -12.38684143
  H     18.67572835      9.68415231     -8.96647016
  O     11.08450935      8.81432976    -12.86417940
  H     15.54322774     10.27265201    -13.66998016
  H     14.84447068      9.05270092    -18.25018981
  O     19.54736734      9.19750860    -14.63891451
  H     14.30564186      6.84926955    -17.24013312
  H     14.07538403      8.34569737    -19.39236489
  O     17.16377763      6.54422566    -12.68293836
  H     13.52180208      6.34676023    -16.01058646
  H     13.09387487     11.26284445    -11.67485473
  O     18.07192137      9.34476220     -9.62114991
  H     15.35097189      7.13160309     -9.07878419
  H     13.57050580      9.91620004    -11.10284945
  O     14.19436799      8.35413956    -18.44654407
  H     14.39433669      6.95804874     -7.87500517
  H     15.83121928     11.93206785    -14.67874364
  O     13.82578178     10.84580747    -11.20299052
  H     15.88491468      5.87076954    -15.77210974
  H     16.14989718     13.10558343    -15.62657669
  O     15.68479607     12.27336216    -15.57568408
  H     17.10437417      4.92420040    -15.76802341
  H     12.43633878      8.52073144    -15.76702083
  O     12.74435709      9.29584873    -16.25772086
  H     15.86833216     10.94740240    -17.03511437
  H     13.08031026      8.98952830    -17.10933681
          69
 Energy    -248.01067161498170     
  O     12.16691204     11.11980807    -15.38674458
  H     12.76370109     11.80215242    -15.05777733
  H     18.74154668      9.24060445    -14.33349705
  O     15.44798075      6.59337530    -13.43110656
  H     11.69938974     10.75771532    -14.62479955
  H     16.48328022     11.62073477    -16.13010162
  O     17.02660450     10.39811926    -11.45142413
  H     14.67058276      6.61158623    -12.85546257
  H     17.23323734     11.96026657    -14.83275429
  O     12.80121006      6.61067854    -16.55429174
  H     16.20577771      6.87922524    -12.90479669
  H     14.36299986      9.11489747    -15.20664401
  O     13.62060050      9.10189210     -8.70634573
  H     16.90532502     10.17830092    -10.51612156
  H     15.13936392      8.23408339    -14.17255133
  O     13.23224611      6.90524450    -11.83019487
  H     16.16674588     10.69120463    -11.78596273
  H     10.99815126      8.85863262    -13.62191024
  O     14.60710727     11.03564512    -12.58049752
  H     13.73669456      6.36132138    -16.44578062
  H      9.80612971      9.78652651    -13.28712001
  O     16.18479706      9.88073442    -16.83641773
  H     12.41036292      5.96046119    -17.13211550
  H     17.37831940      6.94466504    -10.42712025
  O     14.30785817      6.38011402     -9.36397838
  H     13.02981599      9.42781903     -8.03172814
  H     17.86121758      6.11377549     -9.21809034
  O     17.70355457      7.60508647    -16.95573039
  H     13.21821534      9.32817001     -9.56104168
  H     11.98078670      7.00714579    -14.89535264
  O     15.41183046      6.03076107    -16.12953246
  H     13.54270812      6.54606691    -10.98622521
  H     12.10720179      6.95457624    -13.34646348
  O     18.81937876      8.28029293    -14.38706254
  H     13.06455809      7.84305579    -11.66976921
  H     18.02040815     10.87851450    -12.85533864
  O     16.55930930     12.29137536    -15.43963572
  H     14.40935090     11.84803834    -13.05989326
  H     19.28758070     11.52288897    -13.45344150
  O     14.97926318      9.14025755    -14.46320176
  H     14.73608022     10.34883944    -13.25727879
  H     17.33803591      8.60832089    -11.81322535
  O     10.75885328      9.74316227    -13.28726114
  H     15.28985827      9.76026647    -17.18772808
  H     18.12432794      7.75610484    -12.83360591
  O     17.15630442      6.68219509     -9.51794793
  H     16.07228674      9.70332589    -15.88862332
  H     16.74837322      8.49593195     -8.98738472
  O     11.57023459      7.29766515    -14.07304126
  H     15.27293865      6.37606417     -9.38471197
  H     15.50427940      9.38415578     -8.80929596
  O     18.47398260     11.08240550    -13.69054275
  H     14.05740441      7.23724797     -8.99664625
  H     11.91094576      9.72061476    -11.82593873
  O     17.58477850      7.69886325    -12.03082103
  H     18.22022853      7.49414751    -17.75035204
  H     13.37289276     10.17940707    -11.63961179
  O     16.45645116      9.41566957     -8.96510545
  H     17.21171135      8.43742094    -17.05499997
  H     14.03309815     13.98460501    -14.51994151
  O     12.67490933      9.63766376    -11.24175664
  H     15.47863472      6.06633466    -15.16350737
  H     14.99991959     12.82249476    -14.84448261
  O     14.13424034     13.03896648    -14.45346712
  H     16.20104352      6.46864991    -16.46512200
  H     13.10974959      8.43691354    -16.90713859
  O     13.50572909      9.31563673    -16.93252145
  H     18.50251740      8.01712186    -15.25862805
  H     12.91229186      9.94456199    -16.49273225
          69
 Energy    -248.01063949341307     
  O     -3.56758588      4.84103360      4.24796508
  H     -3.12085233      4.74458165      3.38759145
  H     -2.24507992      3.19245546     -1.34863919
  O      0.81715545      2.09976821     -0.41674784
  H     -3.49765378      5.75913414      4.49544078
  H     -5.54240520      2.45373209      3.68335142
  O     -0.97982482     -0.00702071      2.68357916
  H      1.52699044      2.40747270     -0.97440100
  H     -5.11396143      3.91526883      3.62711068
  O     -4.71684750      0.65531444     -0.04681799
  H     -0.01537228      2.33461616     -0.86722024
  H     -3.74818820      5.21015497     -1.24868724
  O     -2.70674826     -2.82766074     -2.24809026
  H     -0.48079941      0.49825894      3.33587285
  H     -4.28746212      4.07980536     -0.33866913
  O     -0.17636500     -0.47617387      0.10935786
  H     -1.68622800      0.58465675      2.37140891
  H     -1.43649750      4.10782983      1.87526217
  O     -6.79257276     -0.17854795      3.27994948
  H     -4.99484228     -0.13717667      0.43166056
  H     -2.66634541      4.49714934      0.96750766
  O     -2.42690133      2.45963992      5.32646116
  H     -3.99694826      0.38811578     -0.63507476
  H     -5.46501081      2.32997359      0.17981079
  O     -2.48463512     -0.12142410     -1.48172188
  H     -1.96792098     -3.01749322     -1.64064825
  H     -5.71185700      3.29334182      1.37287960
  O     -5.23136244     -1.59827046      1.49023333
  H     -2.53387210     -3.30854705     -3.05302166
  H     -3.54060205     -1.06650280      3.92102748
  O     -2.34248279     -3.96467253      1.92929912
  H     -0.39575053     -0.38783050      1.04841494
  H     -2.23639585     -1.19717173      3.12866319
  O     -1.56235517      2.56226854     -1.60660367
  H      0.30518661      0.32658670     -0.12479283
  H      0.47780416      2.93388555      1.26840886
  O     -5.73325164      3.28348368      3.23897429
  H     -6.42111943     -0.75143819      2.59035590
  H      0.26180461      2.90562925      2.81055314
  O     -3.47485458      4.48086999     -0.69889739
  H     -7.52346149      0.28642143      2.87829046
  H     -0.80186628      2.10347076      4.79272249
  O     -2.38259460      4.32383518      1.87268834
  H     -2.80342853      3.31309655      5.07749161
  H      0.68624631      1.91134989      5.16794187
  O     -5.59604373      3.25930007      0.41340037
  H     -3.12317690      1.80939356      5.17019218
  H     -5.28524953      0.38172370      4.03533067
  O     -3.05202052     -1.67192314      3.35238205
  H     -1.71816964     -0.24171734     -0.90293776
  H     -3.97945857      1.02287304      3.45280797
  O      0.17569147      3.45481748      2.02234291
  H     -2.64464341     -0.98032404     -1.89122100
  H     -3.94618132     -3.40591922     -0.89298616
  O      0.07600936      1.87538123      4.43645352
  H     -5.11140113     -2.34383025      0.88426817
  H     -3.72000742     -3.92407306      0.53938113
  O     -4.40435503      0.71193130      4.26904411
  H     -4.47446078     -1.61410595      2.08958080
  H     -1.19989644     -3.46032477      0.45799458
  O     -4.40808478     -3.66513071     -0.08636357
  H     -2.60048967     -3.23175044      2.50959591
  H     -0.42562905     -2.28994262     -0.19875176
  O     -0.78715763     -3.17176693     -0.36485743
  H     -2.20771953     -4.72169156      2.49539952
  H     -3.63036807      1.33845001      1.23921589
  O     -3.05988499      1.57579610      1.98114643
  H     -1.99238146      1.70595030     -1.72580606
  H     -2.89322618      2.52480886      1.94469145
          69
 Energy    -248.01059751747954     
  O     13.79328536      6.69937053     -7.88101741
  H     13.60987856      6.52078823     -6.96311692
  H     15.28945409      8.17223309    -13.11784767
  O     13.53937609      5.64300831    -15.92314302
  H     12.98457322      6.48624242     -8.38205815
  H     13.00956438      7.82235453    -13.59728609
  O     16.84731087      6.02376826    -14.63377470
  H     14.29777740      5.97925777    -16.41762224
  H     13.25539649      8.54528881    -12.23033825
  O     10.56751622      6.47843842    -12.90746256
  H     13.89072211      5.01686126    -15.28010916
  H     12.12713337      5.67499261    -10.31115254
  O     17.30014604      3.61095459    -10.21744087
  H     16.63034508      6.22156128    -15.55233571
  H     11.18433569      6.80243942     -9.84915187
  O     16.93483226      7.42072028    -10.66945524
  H     16.70457030      6.83716300    -14.12925769
  H     18.14723021      5.00957252    -13.87930033
  O     13.04272760     11.47349761    -13.20038531
  H     11.23886645      5.82536294    -12.68733528
  H     18.14502745      3.64461983    -13.17604443
  O     16.73403388      2.41375512    -12.59219708
  H     10.86738547      6.88967690    -13.73169147
  H     13.66182442      4.79984726    -12.54711659
  O     15.58751523      9.21763529    -15.82579195
  H     16.52029093      4.14556797    -10.00985858
  H     13.30393451      6.25012861    -12.16025487
  O     12.91643804     10.22876405    -15.62827381
  H     18.01897275      4.24405636    -10.32929330
  H     15.75146494      7.74417606    -16.73046763
  O     11.91344559      7.64772557    -15.03268439
  H     17.78946771      6.97450663    -10.71994630
  H     16.18760105      6.95573296    -17.99181384
  O     16.24362111      8.32032178    -13.21538132
  H     16.30073908      6.71926147    -10.46220057
  H     15.40735803      3.48333193    -13.41056071
  O     13.59075561      7.86374576    -12.82642185
  H     12.85357525     10.94307340    -12.41018475
  H     15.54395496      4.88253039    -14.02785149
  O     11.74814005      6.08902619     -9.52576792
  H     13.64959336     12.15318762    -12.91555987
  H     19.06150840      5.27365586    -11.84211076
  O     18.68834767      4.42652745    -13.32731088
  H     16.91430136      2.77108111    -11.70408230
  H     20.10403084      5.74734751    -10.80417645
  O     13.14888490      5.32321534    -11.91529558
  H     16.84058156      1.46812937    -12.53310849
  H     10.33083250      7.60781802    -11.59097732
  O     15.83552272      6.85127396    -17.11256689
  H     14.70628022      9.60395615    -15.75951882
  H      9.40018838      8.42176133    -10.66084845
  O     14.89053963      4.21842847    -13.76296689
  H     15.90490227      9.08702193    -14.92228634
  H     14.76076325      5.73550799     -9.13289326
  O     19.16646187      5.69209218    -10.96858346
  H     12.93378429     10.68133889    -14.76717512
  H     14.48181061      5.28094101    -10.59342139
  O     10.31140079      8.17740799    -10.80063845
  H     12.56603893     10.85457287    -16.25763700
  H     14.41851298      8.22120455     -8.84455320
  O     15.17096622      5.36184583     -9.92312130
  H     12.18344852      8.50103950    -15.39093294
  H     15.52988393      8.57974670     -9.84931177
  O     14.68675568      8.88326191     -9.49414911
  H     12.44380870      6.94851479    -15.44930886
  H     11.81757219      9.30394734    -10.85381808
  O     12.63078407      9.77795647    -11.06728072
  H     16.61856298      8.12811936    -12.34641181
  H     13.32406002      9.52790452    -10.43536265
          69
 Energy    -248.01051223086660     
  O     15.38941746      3.49755809     -9.60208595
  H     15.11963811      4.09254992     -8.89218745
  H     17.56480269      6.90273445    -15.33547687
  O     19.05904453      8.23089503    -12.13624881
  H     14.66589587      3.51298990    -10.24355269
  H     13.13437872      7.46104133    -13.78075795
  O     13.69159061      8.40268635    -12.38525755
  H     18.81477836      7.80078122    -12.96361402
  H     13.49783322      7.31870896    -15.27739713
  O     17.50437817     10.39482095    -11.78593399
  H     19.02261891      7.55160166    -11.44605329
  H     14.48096848      5.62147712    -11.23719944
  O     16.28906791      7.13433215     -9.00740068
  H     13.31889596      8.89267334    -11.64496760
  H     15.77588221      5.97068733    -11.99022473
  O     18.71026775      6.31673033    -10.18054173
  H     14.21930350      7.68698021    -11.99403145
  H     16.95009330      3.60907731    -10.39682739
  O     10.49160071      6.23776408    -13.64523745
  H     18.11369622      9.63622172    -11.85534962
  H     18.27553231      2.89235635    -10.74153023
  O     15.31079680      4.13136327    -16.74034787
  H     18.04690774     11.17865786    -11.76806287
  H     12.55907611     10.27447516     -9.57779833
  O     14.42646304      5.44654779     -7.71933638
  H     15.91462083      6.88738691     -9.86840337
  H     13.95994850      9.65012869     -9.78735496
  O     14.76142032      8.19867788    -16.21894288
  H     15.78935452      6.61915690     -8.36469420
  H     11.94434248      6.39402492     -9.80076988
  O     16.85820385      6.37968034    -16.99558844
  H     17.97884666      6.63484563     -9.63451077
  H     12.64668849      7.70797460     -9.37418005
  O     17.72998000      7.15879842    -14.41973544
  H     18.50181283      5.39708363    -10.37884925
  H     16.46958173      9.76477330    -13.21498171
  O     12.98385823      6.91222575    -14.56557054
  H     11.33242708      6.46142111    -14.07650382
  H     15.12429894      9.02731037    -13.34126554
  O     15.11932760      6.33167502    -11.38101973
  H      9.80643476      6.54696638    -14.23207439
  H     16.28706569     10.02346396    -10.37058351
  O     17.78439713      3.69571117    -10.89172402
  H     14.86302311      4.13596262    -15.88025141
  H     15.98199357      8.92195681     -9.32740068
  O     13.00358917      9.49884568     -9.90783310
  H     15.04802010      3.32047055    -17.16818395
  H     10.15140647      4.95147835    -10.78887753
  O     12.52036600      6.78221590     -9.13244783
  H     13.71745576      5.91132804     -8.19943207
  H     10.74963929      5.72135163    -11.98608472
  O     15.93250031      9.24513081    -13.82610302
  H     14.11735366      5.32564730     -6.82561318
  H     17.22798276      5.65225320    -13.56005671
  O     15.67172885      9.77095164     -9.67250739
  H     15.18772768      8.72370921    -15.52851374
  H     17.23119356      4.49299737    -12.47852828
  O     10.94290290      5.38997409    -11.09277733
  H     15.45247460      7.63528370    -16.58617642
  H     12.52219746      4.42974448    -11.37254204
  O     16.71086241      4.94121206    -13.15692728
  H     16.34187441      5.55780023    -16.93716544
  H     13.57633844      4.04635559    -12.45551959
  O     13.41086840      4.07796855    -11.50365705
  H     17.29873618      6.36806505    -17.84159733
  H     15.11533851      4.57659164    -13.85560460
  O     14.21917165      4.42244174    -14.19723469
  H     17.09915008      7.86506158    -14.21475038
  H     13.79677970      5.28443803    -14.32652465
          69
 Energy    -248.01043716070330     
  O     10.63558491     10.35036459    -12.34337542
  H     11.33118012     10.85859196    -12.77743105
  H     18.77204973      7.88895712    -15.64108017
  O     13.81888682      7.24452387    -14.98717471
  H     10.23660429      9.80298256    -13.03158610
  H     15.79634247     11.89011455    -15.29026055
  O     16.94284367     10.82368386    -10.15147180
  H     13.59272973      6.82557301    -14.14435264
  H     15.14704410     13.19635614    -15.80153810
  O     18.50541521      9.37677095    -16.92352772
  H     13.14894142      7.90991031    -15.18641690
  H     15.02297996      8.40142061    -14.25732437
  O     12.12714644      9.36791288    -15.49209422
  H     16.86330400      9.86451295     -9.99430697
  H     16.10667476      9.54156451    -14.31676867
  O     13.50172166      6.07442914    -12.50871817
  H     17.17576050     11.22178773     -9.31743996
  H     10.90866506      9.27760624    -10.97186411
  O     14.63848088     10.51643269    -11.74604672
  H     19.18695938      9.55172248    -17.56822008
  H     10.45974022      8.78243235     -9.57659989
  O     16.22199711      8.34618079    -18.11219575
  H     17.74565303      9.01269508    -17.40655552
  H     18.18672565      7.30169777    -13.34808907
  O     16.01350302      5.20364651    -13.30223246
  H     12.38456706     10.05007389    -14.85512072
  H     16.88102709      7.98244756    -12.90248536
  O     17.22350363     10.90059473    -14.95075065
  H     11.25932282      9.04550653    -15.21789803
  H     10.77135401      7.21384579    -11.63696288
  O     16.12436586      6.25460056    -16.09804770
  H     13.67199511      6.74158219    -11.82895487
  H     11.64631278      6.30292252    -12.51451127
  O     18.61993486      7.11990424    -15.08262571
  H     14.33927341      5.62408722    -12.68920259
  H     18.00511949     10.65576243    -11.72623984
  O     14.94981964     12.30115868    -15.53662933
  H     15.02188455      9.96467057    -12.44906419
  H     18.39964153      9.38898582    -12.49323808
  O     15.61581443      8.95149741    -13.73179484
  H     15.36848282     10.79732773    -11.18219000
  H     15.65231136      7.94855489    -10.08287612
  O     11.03936834      8.57910153    -10.30579728
  H     15.98778071      8.13668864    -19.01288165
  H     17.03062543      7.75789105    -10.77149640
  O     17.65646048      7.50671632    -12.56247198
  H     15.51813036      8.92737965    -17.77074782
  H     13.48651917      9.73121298    -16.74214682
  O     10.76519284      6.69475882    -12.45083759
  H     16.12142545      5.27664423    -14.25661936
  H     14.53431834     10.85150501    -16.72321919
  O     18.41399727     10.35138020    -12.54615878
  H     16.65377661      5.81921194    -12.92703133
  H     12.87304215      8.19471377    -10.33902563
  O     16.59568937      8.13784615     -9.99711188
  H     17.70807692     10.81971556    -14.11401293
  H     14.03945181      8.96727762    -10.97387144
  O     14.31783406     10.01237019    -17.14574423
  H     17.73798578     10.45690868    -15.63615817
  H     13.52886311     11.83024585    -14.32787686
  O     13.79889826      8.10830514    -10.59849601
  H     16.21940283      6.80454474    -16.88352374
  H     13.46990743     11.15378781    -12.94576941
  O     12.92790450     11.39305291    -13.71307864
  H     15.26232562      6.51268450    -15.73582997
  H      8.92833522      8.14267149    -14.58540484
  O      9.79401149      8.41852680    -14.29751159
  H     17.80148712      6.72559536    -15.41725267
  H     10.12070191      7.73180416    -13.68783086
          69
 Energy    -248.01024383959219     
  O     12.88155867      7.76408758    -15.47355063
  H     12.56444221      8.58334268    -15.07585145
  H     11.14968166      4.65376562    -10.10646239
  O     11.15023626      9.42738568    -10.04455349
  H     13.83164080      7.72388184    -15.30292959
  H     12.25623828      6.65780828     -8.78107988
  O     15.92922455      5.01642496    -10.59104067
  H     10.88476487      8.94167938    -10.84291447
  H     12.12298004      8.18638184     -8.98201186
  O     12.25879325      2.48791363    -12.09824680
  H     10.36652809      9.85947023     -9.71303661
  H     12.55594205      4.63553954    -14.49801170
  O     15.29329045      7.15120115     -9.03355698
  H     16.89321602      5.05212203    -10.63416522
  H     12.84567168      3.62377987    -13.32944994
  O     18.26588895      8.29348249    -14.19929807
  H     15.65507433      5.77104506    -10.04511350
  H     12.99851324      5.73422817    -12.57932651
  O     13.15143118     10.54668772    -11.80980342
  H     12.87293866      2.59887503    -11.36144395
  H     12.59983793      5.98098416    -11.09451959
  O     15.78586120      5.09217512    -13.42488361
  H     11.41103921      2.84127383    -11.79957080
  H     12.34139881     10.30934850    -13.34109991
  O      9.90881701      3.87485843    -11.24374882
  H     14.36828382      7.31924546     -8.79070957
  H     11.52577062     10.84537082    -14.54180291
  O     17.61220562      8.25880890    -11.54122607
  H     15.71062303      8.00775842     -9.09538449
  H     19.48045249      5.38594587    -10.59999204
  O     14.00959125      3.17800052     -9.92039812
  H     18.09425281      8.36795471    -13.24333861
  H     18.70959444      5.48479802    -11.93908572
  O     11.91052032      5.04538884     -9.65757350
  H     18.86343479      9.00014559    -14.42758164
  H     14.22454787      7.67880592    -11.87104336
  O     12.63090929      7.50988969     -8.51937523
  H     12.56449054     10.29716333    -11.08660925
  H     15.07656612      8.23147218    -13.02919055
  O     13.20212720      4.36992755    -13.83402037
  H     13.84306834      9.86934053    -11.84250503
  H     18.57918721      6.38260612    -14.00987901
  O     12.88610985      6.41771263    -11.90634943
  H     14.93451774      4.71534459    -13.68955032
  H     17.62481474      5.20126637    -13.74736587
  O     11.83046882     10.04325349    -14.12645158
  H     15.78080786      5.12093248    -12.45893351
  H     11.51694026      7.50640199    -12.29869970
  O     18.62499060      5.57835454    -10.97343207
  H      9.04929571      3.51076119    -11.04984083
  H     10.98216406      8.73700412    -13.08309808
  O     14.86151722      8.37072766    -12.09696456
  H      9.79047160      4.48737939    -11.99171858
  H     15.63553146      6.68122258    -14.28687383
  O     18.55224564      5.47337646    -13.68756897
  H     17.88545933      7.39822067    -11.20390019
  H     16.47918183      7.90343404    -14.71597282
  O     10.74097264      8.07787522    -12.42028620
  H     16.64516760      8.25829608    -11.58736992
  H     11.88236650      6.36088232    -15.57678575
  O     15.57557043      7.56810082    -14.67476391
  H     14.37885510      2.58231905     -9.27289729
  H     11.15128337      5.34841799    -16.49103832
  O     11.35358956      5.54157437    -15.57967403
  H     14.72699258      3.77908506    -10.18321217
  H      9.84635261      6.53434570    -12.97870131
  O      9.65966255      5.63720026    -13.28562255
  H     12.59826080      4.36756968     -9.61854978
  H     10.14434338      5.54497704    -14.11494529
          69
 Energy    -248.01014911249337     
  O     -2.93992551      1.46433775      2.12499646
  H     -3.44974604      2.18409442      1.76340853
  H     -1.73626780     -3.75362930     -0.54699144
  O     -2.65755402     -1.07985851      6.65002963
  H     -2.42454304      1.10268556      1.38408946
  H     -1.23318723     -5.82873250      0.19585414
  O      1.99039770     -0.20864346      2.31497921
  H     -2.82444274     -0.83401920      5.72364236
  H     -1.68263404     -7.29349048      0.41013147
  O     -2.95240869     -0.53748247      3.97428209
  H     -2.96751581     -0.35460320      7.18608688
  H      3.16729019     -2.94975568      2.53800718
  O      2.19164503     -3.69181753      5.39570492
  H      2.61973278     -0.84992243      2.66584156
  H      4.50408054     -2.51068230      3.18369144
  O     -3.72162256     -3.74704290      6.54151544
  H      1.23972902     -0.22035755      2.92532937
  H     -0.17664520     -2.11539734      2.75219882
  O     -0.23106329     -2.44725615      6.17270765
  H     -3.03854210      0.21707187      3.37295308
  H      0.60756795     -3.16834822      1.90818606
  O      1.17830172     -6.17348322      5.00669494
  H     -3.34228633     -1.30834577      3.54005124
  H     -1.36415235     -4.13864619      2.69822475
  O     -5.77113690     -3.52189706      4.72161881
  H      1.49193666     -3.13484336      5.76034412
  H     -1.94462116     -5.50347095      2.27146145
  O     -1.56130721      0.25484196      0.09110390
  H      2.65629331     -3.17062439      4.73109296
  H      2.05154002     -3.66637055      0.42892820
  O      1.23860755     -6.22254302      2.13735578
  H     -3.40049990     -2.84793024      6.68264769
  H      1.96858177     -4.75058912      1.56977048
  O     -1.12486201     -4.43765987     -0.85462244
  H     -2.94377534     -4.27660268      6.32712185
  H     -3.40042727     -3.56834419      2.82668825
  O     -1.29959175     -6.54278119      0.85542129
  H     -0.96530111     -1.92584923      6.52039954
  H     -4.75178829     -3.02260668      3.33659772
  O      3.55832783     -2.39625806      3.23758438
  H     -0.60457631     -3.31640616      5.96266167
  H      1.27656727     -2.01948298     -0.88169763
  O     -0.27328925     -2.85637040      2.14026864
  H      1.60667090     -5.30836371      5.14178869
  H      1.74959325     -2.94748966     -2.02214203
  O     -2.04418979     -4.79547935      2.91796648
  H      1.67045702     -6.80522135      5.52500014
  H     -1.11386559     -0.56841977      3.89780418
  O      2.26214774     -3.85069870      1.35124133
  H     -6.56874267     -3.91972962      5.05861400
  H     -0.06702015     -1.32434312      4.74582702
  O     -4.01188111     -2.82241972      2.74549309
  H     -5.09442117     -3.65279268      5.40761336
  H      1.65738358      0.45442052     -0.70276530
  O      1.34332916     -2.94815731     -1.15824642
  H     -1.96541018     -0.62474917      0.09590622
  H      1.53674601     -0.27062810      0.65511846
  O     -0.17199410     -0.77731256      3.95545488
  H     -0.62009544      0.10807378     -0.04323245
  H     -1.63459252     -2.48796987      0.99425977
  O      1.27094337     -0.30989205     -0.28164369
  H      0.38200903     -6.43739374      1.74915505
  H     -3.17269706     -2.45541819      1.09266685
  O     -2.44126787     -2.35859515      0.46944359
  H      1.14329619     -6.28147954      3.09604612
  H     -1.67498740     -4.93123477      4.65181011
  O     -1.32305114     -4.95126528      5.55490671
  H     -0.29123923     -3.98233123     -1.01660656
  H     -0.52855312     -5.49543010      5.50399817
          69
 Energy    -248.01001349858547     
  O     17.10277522      9.60258320    -10.82355971
  H     16.62255004      9.03664947    -10.19619758
  H     13.44811166      8.90409852     -6.42061458
  O     13.85482689      5.55545997     -7.54364711
  H     17.11957540     10.47756064    -10.41874831
  H     18.77898621      4.49381425    -11.19343159
  O     17.04873728     11.87720256     -9.16536302
  H     13.17405936      5.62340151     -8.22148131
  H     19.29266575      3.25872382    -11.96511864
  O     12.34845752      5.90193722    -10.01481141
  H     14.65352105      5.31381422     -8.03382799
  H     16.88038590      5.31616467     -9.53618550
  O     15.47091604      8.35828293    -12.71054077
  H     17.06161411     12.82770327     -9.23767374
  H     15.48840745      5.39913970    -10.23762879
  O     19.38643555      8.02661803    -10.91706252
  H     16.38467331     11.65861348     -8.48552479
  H     19.49516644      7.16117746    -12.54208611
  O     20.72701920      8.67125013     -8.53067593
  H     13.05594278      5.82241412    -10.67676278
  H     19.31189266      5.69189850    -12.98313054
  O     18.65403870      5.58010896     -9.78179592
  H     11.57902129      5.47756956    -10.38616147
  H     17.92213201      6.94665093    -14.20659422
  O     15.44046300     11.07590582     -7.15136915
  H     16.08227500      8.84779343    -12.14234261
  H     17.21257975      7.20085325    -15.55844661
  O     13.11408095      9.65358573    -12.04300569
  H     15.98730434      7.97513603    -13.43083941
  H     15.77500538      7.12543013     -9.15084509
  O     12.98926184      8.59275038     -9.50749925
  H     19.95117386      8.27421985    -10.17387786
  H     14.75832188      8.30965311     -9.16669279
  O     13.09417022      9.65326826     -6.91417305
  H     18.63678157      8.63828750    -10.92330410
  H     18.20270254      9.73790997     -7.09397980
  O     18.80113722      4.06992053    -12.06764680
  H     21.60321323      8.93281096     -8.26129152
  H     18.31929533     10.91149539     -8.09277087
  O     15.92787443      5.32888987     -9.37876451
  H     20.11069612      9.34032103     -8.18014588
  H     14.20849995      6.72528147     -6.27641707
  O     19.36397628      6.59600125    -13.31624053
  H     18.85337098      6.40574628    -10.24568336
  H     14.12240721      7.06264676     -4.77244905
  O     17.05120325      7.05390819    -14.63036165
  H     18.80276435      5.77267780     -8.84451614
  H     14.76922801      6.76132215    -11.98064813
  O     15.69494994      8.08525634     -9.08224128
  H     15.95965297     10.38163359     -6.73460816
  H     15.01863965      5.27498027    -12.31802466
  O     18.83724421     10.30788560     -7.54733313
  H     14.52960037     10.75126195     -7.10223098
  H     18.29633669      7.20795718     -6.94882073
  O     14.42856764      7.40035871     -5.61042337
  H     12.93376840     10.40335905    -12.60416981
  H     19.68482256      7.31523500     -7.60892019
  O     14.52185162      5.86226878    -11.72847717
  H     13.91585816      9.23730226    -12.39661867
  H     16.47271964      8.44059273     -7.52521273
  O     19.02132677      6.68243853     -7.30454420
  H     12.95407458      9.04835802    -10.36089434
  H     16.12459220      8.14064737     -6.06562142
  O     16.81707566      8.52108842     -6.62020394
  H     12.63732165      7.70503220     -9.64710239
  H     17.10055975      4.29970227    -12.94320864
  O     16.27767635      4.57430965    -13.36607091
  H     12.91566946      9.32302759     -7.80557491
  H     16.50608580      5.33403108    -13.91647465
          69
 Energy    -248.00999697616061     
  O     14.20502027      9.68747214    -10.50029344
  H     14.93607787      9.91831294     -9.91320772
  H     16.63793272      4.21999619    -13.37681900
  O     13.82224853     10.52258724    -16.47309632
  H     14.15474464     10.32596882    -11.22390090
  H     12.21465956      7.32736866    -10.88509706
  O     16.83814983     11.30367448    -13.23809827
  H     13.69248245     11.38564973    -16.06056734
  H     13.00857960      8.38843235    -10.10109428
  O     13.20405409      4.79248826    -13.18669851
  H     13.46750595      9.88020600    -15.84534639
  H     14.77447559     13.02426060    -15.19588785
  O     16.87519300      7.16001380     -8.83731654
  H     17.30377906     11.24416024    -12.39204413
  H     13.46453665     13.84365728    -15.10158156
  O     16.47693403     12.79884758    -15.54612401
  H     15.89545532     11.18464441    -13.06481657
  H     13.97073908      8.24130684    -14.51634841
  O     15.53422141      7.60838791    -11.84642688
  H     13.85893603      4.61843801    -13.87142543
  H     12.59384729      8.23793064    -13.80857250
  O     14.05999112     11.03943702    -12.92117196
  H     13.69238237      4.74957289    -12.35173370
  H     15.50993132     10.38901181    -16.97372273
  O     18.24301551      8.25912678    -12.19420479
  H     17.36386507      6.65692569     -9.49657316
  H     16.53799776     10.34722029    -18.12689023
  O     18.10698831     10.72480578    -10.89061396
  H     16.02827528      6.71404578     -8.70806633
  H     10.77425309      6.78634738    -12.86436075
  O     15.50188107      4.61062732    -14.91983062
  H     16.75750896     12.40507239    -14.70607025
  H     12.19627261      6.18493693    -12.94039853
  O     17.00875467      4.17516539    -12.48900214
  H     16.59922044     12.10578000    -16.20519251
  H     13.79536428      5.77600547     -7.67494612
  O     12.54698893      7.54215418    -10.00662274
  H     15.02589331      8.29081630    -11.39208373
  H     13.57992869      6.57938352     -8.97984513
  O     13.82739724     12.97195164    -14.97241978
  H     16.45856123      7.89132867    -11.85233620
  H     14.61509524      5.14659403    -10.06401551
  O     13.18950078      8.78358570    -14.33606777
  H     13.87582500     11.78876376    -13.50095363
  H     15.10813721      5.94042708    -11.28755405
  O     16.46214390     10.40100826    -17.17790686
  H     13.74304072     10.25110410    -13.38613282
  H     18.05501034      5.18546111    -11.52890258
  O     11.69631457      6.99522602    -12.73432135
  H     18.26927995      8.30682792    -13.15585259
  H     19.29884121      5.31905261    -10.62195842
  O     14.22583185      6.04568104     -8.48135613
  H     18.51434571      7.37979416    -11.89845750
  H     16.24702163      7.92688832    -14.77962624
  O     14.87522929      5.04734743    -10.98578758
  H     18.30729901      9.85978583    -11.27732809
  H     15.46297044      7.33803393    -13.58299671
  O     18.54189808      5.79798588    -10.94996618
  H     17.58449577     10.53656016    -10.10266277
  H     16.62876876      8.89912207     -8.77418347
  O     15.53623633      7.31302947    -14.55067209
  H     15.53790260      5.58250225    -14.89236004
  H     16.49242584     10.14449202     -7.86795580
  O     16.41787121      9.84971564     -8.77193214
  H     15.60145176      4.35753293    -15.83389862
  H     17.33838885      9.51582863    -15.75315261
  O     17.54350028      9.17199428    -14.87441337
  H     16.25235146      4.29286545    -11.89414688
  H     17.34122551      9.90079781    -14.26671300
          69
 Energy    -248.00995218238222     
  O     15.51368571     11.42660644    -15.24595187
  H     14.91199774     10.97203504    -15.83088923
  H     18.87436190     11.55976512     -8.35805985
  O     17.48106010     15.35805912    -16.51697007
  H     16.24760300     11.75284259    -15.79523229
  H     19.94199294     17.86068471    -11.72196510
  O     21.51550485     10.72876370    -15.61732358
  H     18.24308372     15.36608058    -17.11077128
  H     19.49834529     19.20770407    -12.34487154
  O     19.17058198     14.42616411    -10.44662583
  H     17.78742489     15.78859186    -15.70605379
  H     22.26745768     14.38513079    -11.32808241
  O     20.75894599     11.00659587    -10.83105820
  H     22.35811788     10.29357116    -15.72841588
  H     20.80507723     13.90732697    -11.17336487
  O     16.70881409     11.74764422    -11.13036641
  H     21.68441206     11.52949538    -15.09013458
  H     17.10645200     10.66349859    -12.50044939
  O     20.15569086     12.27418474    -17.62929777
  H     19.01613673     13.64239260     -9.90291441
  H     16.69989946     10.51336908    -13.98130039
  O     20.94858652     15.43765523    -15.28920305
  H     18.45315628     14.46568932    -11.09237760
  H     20.12308887     14.01118841    -17.86040624
  O     20.44308748     16.91857034    -10.35390960
  H     20.59938055     10.51516888    -11.64935161
  H     20.30586736     15.25819321    -18.75692513
  O     21.64070550     13.01767200    -14.14828102
  H     21.26705347     11.79264152    -11.06306745
  H     21.94265587     16.61982590    -14.22321180
  O     15.40615988     14.26271353    -14.51185117
  H     16.68709536     12.64848277    -11.46833963
  H     21.44966887     17.72604018    -13.27408340
  O     18.80231090     11.92270033     -9.23613950
  H     17.35343277     11.75070269    -10.41055762
  H     18.12995245     15.70116502    -13.46381387
  O     19.74087288     18.31178538    -12.56219612
  H     19.24056289     12.21942949    -17.31912243
  H     18.88723743     17.05401051    -13.58877837
  O     21.68089120     13.63355025    -11.47962373
  H     20.65998704     11.69065526    -17.05117318
  H     22.84540661     16.46858712    -12.05464862
  O     17.38931918     10.28530156    -13.34843982
  H     20.73561996     15.35008555    -16.22597997
  H     23.93140067     16.34642550    -10.95759302
  O     20.00443546     14.97744089    -17.89689953
  H     20.12513536     15.68284015    -14.84224907
  H     19.16868615      9.65602680    -13.32737472
  O     22.22905383     17.20970145    -13.51363969
  H     19.95000444     16.09289253    -10.25172000
  H     20.48983746      9.92632755    -14.09763363
  O     18.57369397     16.28811143    -14.08760070
  H     21.36699288     16.66521759    -10.46902706
  H     18.60966656     11.72125001    -13.62394726
  O     23.05565229     16.05634585    -11.19727281
  H     21.48727932     13.86137690    -14.59669351
  H     19.84021528     12.64944399    -13.93112727
  O     20.12843278      9.72136129    -13.22898986
  H     21.75935082     13.20768983    -13.20724553
  H     17.51983178     13.53633844    -16.54692877
  O     18.87827212     12.60656001    -13.90443967
  H     15.81446662     14.66657280    -15.28392324
  H     18.14936757     12.57209924    -15.53153171
  O     17.68619407     12.59787691    -16.38395672
  H     15.30005747     13.32580048    -14.72069429
  H     17.88599737     13.69071197    -12.97638189
  O     17.28589555     14.30325524    -12.51641444
  H     19.50479427     11.51077266     -9.77340895
  H     16.49959566     14.37493640    -13.07737674
          69
 Energy    -248.00985802479175     
  O     15.60758049     12.52456341    -13.96258525
  H     15.11074952     12.17174579    -14.71370157
  H     11.27776379      8.90462334    -15.40560660
  O     12.91881255      7.39561923    -13.45699766
  H     16.50458527     12.18488846    -14.05073948
  H     15.34734577      8.21091361    -14.89391386
  O     17.52736027      6.96689626    -12.78274483
  H     12.22237171      7.43213355    -14.12287885
  H     15.61743373      9.18707228    -13.69355395
  O     17.42321149      8.27004627    -17.53158093
  H     13.58455153      8.04224379    -13.74063444
  H     14.13611644     13.31840736    -11.29935652
  O     11.60364011     10.52436786    -14.99049251
  H     16.71399292      6.50922829    -13.03698871
  H     14.76329942     12.47420685    -12.43086043
  O     15.96551377      7.80294253     -8.89659647
  H     17.75928011      6.63932893    -11.90328267
  H     16.15805638      5.09880230    -10.57718468
  O     12.75488905      8.39105244    -10.89315214
  H     18.11786277      7.93928458    -18.09551792
  H     15.20186808      4.94276715    -11.77640293
  O     16.76148736      9.54791006    -12.27491572
  H     17.82768195      8.42879406    -16.65911202
  H     12.08319848     10.03557042    -11.70555057
  O     13.39311842      7.44917006    -17.33401939
  H     12.41953732     10.86695249    -15.37450806
  H     12.71255512     11.40435590    -12.02918756
  O     13.58530694      6.24814634     -9.24495723
  H     11.66871362     10.66317512    -14.03374877
  H     18.24787189      7.98582034    -14.31494964
  O     15.62308214      6.66364728    -16.00332954
  H     15.71459171      8.67065126     -9.23800316
  H     18.41617378      9.48023037    -14.70258155
  O     11.18834922      7.95400812    -15.60764669
  H     15.14481713      7.29528065     -8.85769560
  H     15.35141751      5.77044593    -14.42972815
  O     14.98714077      8.94764402    -14.38346533
  H     12.74735045      7.99578651    -11.77771290
  H     14.28930504      6.14164550    -13.38712203
  O     14.28539079     12.42060462    -11.58481378
  H     12.90749467      7.66569631    -10.27537508
  H     18.40904350      5.87400869     -9.50760630
  O     15.27078816      4.80982118    -10.82138227
  H     17.04215331      8.62311388    -12.30636169
  H     17.16596151      6.78462037     -9.65139846
  O     11.98245315     10.81796682    -12.25972112
  H     16.15265597      9.67139638    -11.53591634
  H     15.14128086      9.91918641    -19.15649776
  O     18.42933888      8.58064356    -15.05241312
  H     13.73974662      8.28232192    -17.67212987
  H     15.90350501      9.22946227    -18.00729975
  O     15.12033369      5.65796942    -13.49670588
  H     12.60717949      7.65264755    -16.81096017
  H     14.72709572     10.90867661    -10.60900535
  O     17.73463311      6.14889515    -10.12267540
  H     14.11991723      5.67507804     -9.82330206
  H     14.14843552      9.47007663    -10.50136527
  O     15.07425665      9.67776199    -18.23520170
  H     13.11220156      5.67304597     -8.64952774
  H     17.70206440     10.66981358    -13.18438571
  O     14.92366628     10.01551660    -10.29816146
  H     14.78758738      6.80812304    -16.47782082
  H     18.90102219     11.62258122    -13.41257760
  O     18.17884056     11.18728093    -13.85983108
  H     16.31916628      7.01190343    -16.56850844
  H     14.48533426     10.79168980    -16.79738119
  O     14.22341039     11.08081079    -15.91684614
  H     10.26633265      7.79521247    -15.78838593
  H     14.44756098     10.33766326    -15.33206401
          69
 Energy    -248.00937409094803     
  O     14.00442110     11.73416043    -15.95090319
  H     14.69009925     12.18691112    -16.45781064
  H     20.48724326      7.72711608    -14.04697659
  O     18.86211126      7.48292854    -10.75990879
  H     14.44035307     10.99980301    -15.48984688
  H     17.14193018     13.04140379    -15.66938343
  O     16.31639323     10.32418314    -12.34820201
  H     19.07952240      7.33571311     -9.84264733
  H     16.91000587     13.18672345    -14.14745414
  O     12.74383344      9.44989825    -17.09490177
  H     17.90099932      7.62054241    -10.79800757
  H     14.67450330      7.86884082    -19.07341943
  O     15.95892263      6.15462296    -13.51375868
  H     15.78102380     10.09721903    -13.12484727
  H     14.10897224      8.68517451    -17.88758359
  O     13.25206653      6.14223665    -13.08786957
  H     16.33060430      9.52791930    -11.80676562
  H     14.01426852      9.15307517    -14.47271719
  O     18.60169718      5.67785418    -13.00028368
  H     13.03575296     10.33462604    -16.83818034
  H     15.42674385      8.88782958    -15.03591878
  O     12.81936282     12.58641022    -13.64690793
  H     12.44805234      9.02556400    -16.27911480
  H     17.66261722      9.78556581    -17.35345881
  O     18.57456900      8.86244224    -15.97835513
  H     16.00638320      6.57381752    -14.38513185
  H     16.33240658      9.58843655    -18.11999169
  O     16.17012513      7.77731943    -11.19701225
  H     16.85057597      5.82432717    -13.32838684
  H     13.26690208      7.42228199    -11.63868788
  O     16.19720126     12.73878165    -17.33446833
  H     14.21045970      6.06704976    -13.23558890
  H     13.03894133      8.92466238    -11.39045941
  O     20.39708506      7.08254352    -14.77398169
  H     12.92022042      5.25241939    -12.99716569
  H     19.85969176      9.62495072    -13.08868833
  O     17.59703350     13.07854954    -14.82172032
  H     18.80205339      6.16978980    -12.19456886
  H     19.89673639      8.51181454    -12.00815792
  O     14.91815633      8.28444877    -18.25061488
  H     19.19271628      6.03399070    -13.67488001
  H     14.67871824     12.93053905    -12.99463839
  O     14.89774343      9.53515135    -14.55258186
  H     12.39161968     13.43283617    -13.75505761
  H     15.88646135     12.13930970    -12.47539669
  O     17.02173456     10.23271394    -17.92119346
  H     13.19312794     12.35152536    -14.51393045
  H     17.85630203     10.52688528    -13.29367874
  O     13.45289837      8.13849798    -11.01788875
  H     18.57000529      9.53941922    -15.28413661
  H     18.40835341     11.57701252    -14.27494947
  O     20.38000011      8.87892387    -12.75829415
  H     19.24768474      8.21847108    -15.72712260
  H     12.03797303      9.01380929    -13.74530100
  O     15.62055390     13.00505276    -12.81661617
  H     16.13243205      7.25770715    -12.01225211
  H     12.55039342      7.57696019    -14.05522848
  O     18.58132651     10.69678704    -13.91031911
  H     15.25012192      7.93497867    -10.94087492
  H     11.18833483     10.50654189    -11.84062267
  O     12.32850990      8.42758196    -14.45695488
  H     16.40492672     13.32607729    -18.05612819
  H     12.28430139     11.09243229    -12.75241281
  O     11.95707023     10.26991877    -12.35572132
  H     16.53783743     11.85958397    -17.58095470
  H     17.07791181      7.90881233    -15.95293039
  O     16.20238769      7.49660997    -15.89758058
  H     21.27908689      6.80490069    -15.00640386
  H     15.76516637      7.61665828    -16.74959981
          69
 Energy    -248.00926976900058     
  O     -5.27135660      4.20026362      1.58201493
  H     -4.72402133      4.65801991      2.24544763
  H     -0.11706589      2.89728554      4.37384884
  O     -3.59409261     -2.23213368      0.27385495
  H     -6.18076179      4.36635713      1.81424452
  H     -2.93169472      4.70764156     -1.88041200
  O      0.18003571      4.00164332     -1.71231589
  H     -3.34245785     -1.84215064     -0.58277756
  H     -2.82099338      4.72452822     -3.42371175
  O     -2.57389201      1.62403210     -1.73981340
  H     -4.27190741     -2.87774895      0.09310726
  H      0.72531405     -2.23839375     -2.19160773
  O     -0.21636106      0.00860963      5.30955590
  H     -0.68214114      4.10788317     -2.13463399
  H     -0.09578544     -2.01380811     -0.89947034
  O      1.92028024      4.13813465      2.16614980
  H      0.33209209      3.05210667     -1.64010060
  H     -2.31992773      2.72131871      4.51254650
  O     -1.46872814      3.28734096      1.55148987
  H     -2.59986926      2.47691630     -2.18913745
  H     -1.75487033      3.48295068      3.28461921
  O     -2.89543058      1.01645576      4.76120862
  H     -3.07541605      1.73322826     -0.91779265
  H     -1.24262860      6.53113291      1.07891710
  O     -2.67629255     -1.14588318     -2.03959801
  H      0.19947093     -0.30202972      6.10960440
  H     -1.86033175      7.92330675      1.34575459
  O     -3.18148645     -0.20309263      2.17723274
  H      0.19467280      0.86196908      5.09152978
  H     -4.41662773      2.65945536      1.04297260
  O     -0.43922085     -0.67204342      2.59080311
  H      1.77979627      3.28738221      1.73123329
  H     -3.66813618      1.28614718      1.27007240
  O      0.71833019      2.40842617      4.30910707
  H      1.78059320      3.95825275      3.10023738
  H     -3.03414554      6.07100044      2.72233232
  O     -2.50722613      4.27580186     -2.64316889
  H     -1.11808669      4.06093980      1.09458420
  H     -3.02388094      4.93946704      3.78281949
  O      0.15739771     -1.61262261     -1.75036755
  H     -2.27075494      2.97736635      1.11456156
  H     -0.79882602      1.31514777     -1.34797559
  O     -1.85302643      3.52890923      4.24923388
  H     -2.09840048      0.56467424      5.06317194
  H      0.29072791      0.23086849     -1.46710494
  O     -2.06118653      6.99094645      1.33491868
  H     -3.16908523      0.56145038      3.95509463
  H     -3.14383673      6.04979206      0.09381232
  O     -3.77769064      2.03877648      0.67131199
  H     -1.73687166     -1.35354891     -2.10887058
  H     -4.28400400      5.01733221      0.12403346
  O     -3.60444241      5.51227893      3.26467416
  H     -2.73286539     -0.18047767     -2.06114756
  H      0.66843661      1.39098399      0.51902325
  O      0.14647797      1.15114819     -1.21425180
  H     -2.23059577     -0.32750941      2.30683034
  H     -0.11825862      2.20765603      1.54907102
  O     -3.63395918      5.42749789     -0.45750229
  H     -3.46035947     -0.92003235      1.59289731
  H     -0.55459159     -2.04306928      1.35874336
  O      0.66086119      1.63353976      1.45545937
  H     -0.31831214     -0.59091015      3.54479230
  H     -1.71709224     -2.64564620      0.55040427
  O     -0.75434869     -2.61375272      0.60416257
  H      0.01806576      0.07373605      2.17963294
  H      0.17106951      5.03713816     -0.27836869
  O      0.03947625      5.45184571      0.58825324
  H      0.80133653      2.12131868      3.39143975
  H      0.75585621      5.15351423      1.16527118
          69
 Energy    -248.00910016271087     
  O     -1.32534453     -3.01552394     -0.10684180
  H     -1.07380080     -2.07871027     -0.09173661
  H     -1.71334505     -7.08878543      2.16598664
  O     -1.36770810      0.03264590      7.06077356
  H     -2.28846224     -3.04198419     -0.15696379
  H      2.04599619     -3.04000395      3.69909260
  O     -1.37588983      0.03402926      2.82953395
  H     -2.17580402     -0.44470459      7.28667240
  H      2.56102086     -4.41701764      3.22577321
  O      2.00604523     -4.26065069      6.50310812
  H     -0.70983832     -0.64395718      6.85252641
  H     -1.09981073     -3.65039236      1.56295043
  O     -3.81878739     -1.45315906      7.25434291
  H     -2.19322855     -0.47314388      2.71154874
  H     -0.70667282     -4.78686403      2.58454788
  O      0.24828695     -2.09041387      6.17045759
  H     -1.55044963      0.69249174      3.51271950
  H     -2.97460428     -3.73548976      4.89058791
  O     -0.33525925     -5.69036586      5.64441966
  H      2.75008676     -4.49561766      7.05050320
  H     -2.43708696     -3.80924461      3.44499879
  O     -4.35210417     -0.05512980      4.97265901
  H      2.34459563     -4.13488705      5.59836282
  H      1.90810088     -5.04906973      1.15729086
  O     -0.46630738     -0.40502617      0.17723267
  H     -4.08324711     -1.00298853      6.43235106
  H      2.88287801     -6.21096563      1.45562413
  O     -0.22323246     -6.47727671      3.01440536
  H     -4.55432745     -1.37648745      7.85629720
  H     -3.94005688     -1.76857865      1.69569274
  O     -4.30353081     -5.12097078      1.75614549
  H      0.37634705     -1.94331378      5.22498974
  H     -3.62741178     -2.20899661      3.13929346
  O     -2.54186898     -7.28797904      1.70366136
  H      0.89074299     -2.76123731      6.43490340
  H      1.74435275     -2.97532277      0.24384868
  O      2.65367291     -3.75402527      3.92216007
  H      0.47037744     -5.30962125      6.01403983
  H      0.46106085     -3.69484740     -0.20430665
  O     -0.94701435     -3.85643448      2.49550563
  H     -1.05925742     -5.15846347      5.99478373
  H     -0.03665083     -1.07385917      3.23241516
  O     -3.25154694     -3.73500947      3.96756021
  H     -3.68631722      0.64315061      4.95153245
  H      0.07833515     -2.60780045      3.08200253
  O      2.22148802     -5.65202803      1.85552439
  H     -4.32120212     -0.47221463      4.10237636
  H      2.97591157     -0.91926022      1.30554849
  O     -3.73372848     -1.42813075      2.57298332
  H      0.48290677     -0.52075926      0.30201958
  H      1.64436426     -1.42201116      1.90036507
  O      1.38973528     -3.84341537      0.01554001
  H     -0.80489535     -0.08534995      1.02424215
  H     -1.96573480      2.58098317      5.25166707
  O      0.57305135     -1.81687343      3.35667763
  H      0.67208515     -6.33849023      2.68274310
  H     -1.74153538      1.13871867      5.76963558
  O      2.12465919     -1.28103862      1.06978182
  H     -0.23831419     -6.28623263      3.96621089
  H     -1.31740949     -3.06802826      6.38387138
  O     -2.04139594      1.66335032      5.00527080
  H     -3.74491951     -5.90600290      1.67181923
  H     -2.77169883     -2.96206834      6.87724166
  O     -2.12922757     -3.58032631      6.50548116
  H     -4.12198041     -4.76041777      2.63370057
  H     -4.83301404     -2.92842904     -0.46984407
  O     -4.12969895     -2.95112015      0.17306598
  H     -2.66077189     -8.23188551      1.77938251
  H     -4.24394913     -3.77228984      0.68719362
          69
 Energy    -248.00906798557673     
  O     -7.14479112     -1.80074334      6.39254370
  H     -6.27401263     -1.40009841      6.48571766
  H     -6.80137377     -0.53599050      3.32058550
  O     -9.70725281     -2.36693203      2.78085754
  H     -7.79112994     -1.12116033      6.63301285
  H     -4.23273115     -0.55194785      5.57927137
  O     -7.64323552     -3.53730669      4.39862981
  H     -9.99469656     -1.62369920      3.32787757
  H     -3.90318082     -0.62659329      7.09085213
  O     -5.74642687      0.61785369      0.07172411
  H     -9.06911275     -2.84985904      3.31892122
  H     -1.72183574      3.68193213      0.05200926
  O     -5.95909872      1.77302335      5.50076835
  H     -7.49763843     -2.93317606      5.15069219
  H     -2.64641990      4.13141285      1.20738111
  O     -9.01762083      0.21534496      6.83436248
  H     -7.68706776     -4.41810406      4.76018026
  H     -9.53942091      3.36743322      3.52667066
  O     -3.76386416     -0.70967102      3.92060897
  H     -5.82315379     -0.33198693     -0.08049567
  H     -8.17408673      4.01297144      3.23781438
  O     -5.28075385      3.42006878     -0.45217456
  H     -6.60048461      0.89694865      0.42469144
  H    -11.34887257      2.33457570      1.86218301
  O     -9.99748688      0.01818275      4.22431623
  H     -6.68598101      2.15205205      6.01042392
  H     -9.85729768      1.93745427      1.93333279
  O     -6.35738353     -2.14106707      0.00822285
  H     -5.52409261      1.08048126      6.01393399
  H     -6.03053888     -2.19945035      1.85176067
  O     -3.65521520      1.23614018      1.83609264
  H     -9.55036484      0.09101322      6.03652903
  H     -6.46534426     -2.69744527      3.27367178
  O     -7.29793645      0.26418614      3.53323197
  H     -8.81356484      1.15665986      6.84907516
  H     -8.82262722     -0.28045550      0.61126424
  O     -4.60633920     -0.44453278      6.47377777
  H     -3.57045697     -0.04147777      3.25275140
  H     -9.20401866     -1.65553344      1.22336199
  O     -2.54488856      3.48202947      0.49003920
  H     -4.42189430     -1.29440821      3.51784519
  H     -8.44911893      3.69726264      7.09979838
  O     -8.79759473      3.81839615      3.94750354
  H     -5.40231350      2.46439350     -0.51262338
  H     -8.46627373      3.30793261      5.60440030
  O    -10.62904016      2.18062082      2.46950118
  H     -4.34622885      3.53980905     -0.24416908
  H     -3.68493862      4.51362597      3.04729442
  O     -5.90917052     -2.06472763      2.79919893
  H    -10.39067103      0.74305805      3.72634279
  H     -3.39689079      6.00308279      2.78730133
  O     -8.84191432     -1.22468587      0.43204162
  H     -9.04197498      0.06134663      4.05764797
  H     -4.40739339      2.45650339      2.95033260
  O     -8.24893885      2.98592680      6.49709991
  H     -7.29437626     -1.88044252      0.08952338
  H     -5.15446619      2.75387762      4.27861229
  O     -3.07166324      5.12481096      2.60614743
  H     -6.31311722     -2.81958102     -0.65935063
  H     -7.88054835      1.03140582      2.10842429
  O     -4.79089145      3.16711320      3.48419480
  H     -3.12829020      1.88388110      1.35159486
  H     -7.79932667      2.39087529      1.37279890
  O     -8.18311169      1.50330810      1.31263281
  H     -4.36572795      0.96082737      1.23937731
  H     -6.18757525      3.66542723      2.43142014
  O     -6.87057264      3.88115902      1.77945278
  H     -6.81443234      0.75352490      4.20950346
  H     -6.40279560      3.91444634      0.93220280
          69
 Energy    -248.00900652346064     
  O     -3.45547828     -0.70135733      1.35814963
  H     -3.05229279     -0.58419100      0.48729697
  H     -3.76996865     -2.54503729      1.27092339
  O     -0.28458748      1.82100302      2.55743311
  H     -2.74363982     -0.70868286      2.01684364
  H      2.63567590      0.09996294      2.51731741
  O      2.35782435     -3.51168386     -0.51909552
  H     -1.09845995      2.33207795      2.67948191
  H      1.85386975     -0.82897789      1.53521008
  O     -2.48687930     -0.37678493     -1.30871844
  H     -0.06132345      1.91259083      1.62050769
  H     -1.13571366     -3.62935916     -0.74322784
  O     -3.73616233      2.03095276     -0.98320000
  H      1.42758207     -3.77749671     -0.52904891
  H     -0.73148874     -4.25404735      0.62149002
  O     -4.86583499      1.62890306      1.62749235
  H      2.61454617     -3.54128572      0.40931174
  H     -0.87222639      0.13004463      3.06367291
  O     -1.84728326      4.03538533     -0.26151413
  H     -2.96116219      0.46834392     -1.32277951
  H     -0.75428394     -1.42019767      3.42005343
  O      0.32663671      2.39749806     -0.13424490
  H     -1.56148052     -0.19503320     -1.51959363
  H     -2.67849746     -2.11188410     -1.57741975
  O      2.62355558     -1.39785597     -2.24984663
  H     -3.12350903      2.76432991     -0.84429591
  H     -3.03218066     -3.30976023     -2.48752733
  O      0.26232010      0.02344887     -1.58351394
  H     -4.25949815      1.97778784     -0.17413739
  H     -1.86336656     -5.62505210      2.48946054
  O      0.25051651     -1.25298154      0.78732814
  H     -4.44222233      0.75389033      1.60074528
  H     -2.41236775     -4.31879585      1.86935037
  O     -3.70140481     -3.48013404      1.03582151
  H     -5.74568233      1.49807620      1.97105158
  H      3.52511683     -3.70984692      2.84442416
  O      2.70459642     -0.70000591      1.98226965
  H     -1.03384006      3.50149518     -0.25578567
  H      2.87487751     -2.41442980      2.30828757
  O     -0.38343004     -3.82272430     -0.16978140
  H     -1.61666471      4.88196720     -0.63500676
  H      1.01419259     -3.17132312      3.24268474
  O     -1.31202154     -0.73044126      3.02974560
  H      1.25062124      2.61853413      0.06006758
  H     -0.45377251     -3.63795480      3.21933258
  O     -2.70011390     -3.08341420     -1.62261293
  H      0.32722921      1.64994143     -0.74453590
  H      2.52080777      2.13592492      4.17233424
  O     -1.60460154     -4.75630174      2.19295618
  H      2.56892488     -2.16069065     -1.64788064
  H      1.38476976      1.84328292      3.16521443
  O      2.76833639     -3.38043048      2.36533423
  H      3.08042265     -1.70185808     -3.03006458
  H      3.55824927     -0.17753459     -1.07302374
  O      0.14345896     -2.98846504      3.61314512
  H      0.25043725     -0.38666290     -0.70143439
  H      3.64454101     -0.09191078      0.45640795
  O      2.33983039      1.74656363      3.32080699
  H      1.03046256     -0.36078122     -2.02042660
  H     -3.42668461      2.73719693      2.24113502
  O      3.92639352      0.34976740     -0.35565570
  H     -0.35222384     -1.09612740      1.52384116
  H     -2.41234061      3.65008996      1.53556329
  O     -2.61404116      3.23700449      2.38535734
  H      0.11061528     -2.16191480      0.49138794
  H      3.35774191      1.99242899      0.19522554
  O      2.90997164      2.74110950      0.61933917
  H     -3.51217840     -3.48289542      0.08956155
  H      2.90186943      2.54572664      1.56215093
          69
 Energy    -248.00873651244007     
  O     16.82001989     12.16675296    -16.26378039
  H     16.35605912     12.14408431    -15.41261936
  H     16.13721797      5.39050966    -13.58427125
  O     15.30436916      5.46782191    -15.08294478
  H     16.59916737     13.00485798    -16.66492304
  H     22.30784518      9.81779808    -15.39556845
  O     16.96810213     12.97122230    -10.17209418
  H     14.65626513      6.16185480    -15.25076792
  H     21.13682560      9.33303985    -14.50894241
  O     20.54883117      8.58126667    -13.03529904
  H     15.77073995      5.33342608    -15.91822373
  H     18.39314191      9.70893679    -14.66750669
  O     15.11223803      9.91627961    -10.01044210
  H     17.49111099     12.76701980    -10.96170197
  H     17.77330311      9.05411738    -15.91693142
  O     15.29815905      9.28841597    -14.07717068
  H     16.04853556     12.91336271    -10.45578646
  H     16.29916896      7.06293503    -11.99681344
  O     18.18425746     11.85510004    -12.41101798
  H     20.00219733      8.90416218    -12.30955497
  H     15.77976783      8.41479750    -12.54917647
  O     18.90576926      6.56613592    -14.03558599
  H     20.13580280      7.75116974    -13.31339192
  H     15.88167991      7.02274812    -17.85724663
  O     13.68005111      7.74098156    -15.63791631
  H     15.36601770      9.15287164    -10.54557094
  H     14.78977617      7.88887512    -17.20401381
  O     19.13153523      5.95994826    -16.78612483
  H     15.88262632     10.11271678     -9.46329346
  H     17.90449210     10.84890606     -7.91454928
  O     16.64625281      5.33331840    -17.56345283
  H     16.18025941      9.09249506    -14.43174475
  H     17.41627924     11.56919755     -9.19421649
  O     16.64551095      5.40945589    -12.75230592
  H     15.28875948     10.23891934    -13.91230304
  H     18.35018171      9.74197290    -10.27324110
  O     21.35666420      9.76062271    -15.35649914
  H     18.71472812     11.85963022    -13.22009173
  H     17.75985121      8.85064449    -11.39183630
  O     17.84893146      8.96863304    -14.95591623
  H     18.32027276     10.99469000    -11.99030309
  H     13.50458697     12.51020739    -10.87208724
  O     16.16051395      7.99004320    -11.76789361
  H     18.49187995      7.37669932    -14.37335893
  H     14.55671190     11.37981417    -10.79975655
  O     15.49569852      7.90887283    -17.85989599
  H     18.22269320      6.09462507    -13.54614553
  H     19.23979156      8.96955761    -17.75485415
  O     17.59607982     10.69547615     -8.80337187
  H     14.17682748      8.33717412    -15.05190055
  H     20.50736943      8.89831498    -16.86972839
  O     18.52278595      9.39847262    -11.15911343
  H     12.75496912      7.93461857    -15.51184806
  H     16.59504339     11.95554931    -13.24154321
  O     14.34866358     12.23442419    -11.21931371
  H     19.17897790      6.03093210    -15.82490150
  H     15.11034405     12.20130310    -12.93120737
  O     20.04312398      8.45779730    -17.59091870
  H     19.51780406      6.77466673    -17.13860015
  H     18.67763096     11.74212661    -15.56679585
  O     15.71897463     12.00652522    -13.65523267
  H     16.68589346      4.63684123    -18.21276538
  H     20.04704904     11.04421379    -15.20023588
  O     19.27826743     11.51323839    -14.85008007
  H     17.56680766      5.53808110    -17.31569867
  H     16.76075916      9.13248679    -17.79780292
  O     17.50948906      9.71836664    -17.59921434
  H     16.57504235      4.54105822    -12.36550933
  H     17.15515602     10.55972733    -17.29113452
          69
 Energy    -248.00871514853506     
  O     16.82469704     10.37540236    -15.10180789
  H     16.23217108     11.11785719    -14.92470465
  H     12.42724550      7.79922953     -7.74870946
  O     15.47187478      6.44297373    -11.34134145
  H     17.28987514     10.21257758    -14.27410087
  H     14.47523050     12.54145111    -11.14116458
  O     11.46630503      8.48467585    -12.72848064
  H     14.51783996      6.34542833    -11.21339570
  H     16.01254235     12.42861991    -11.33031758
  O     13.10757894     12.04483271     -9.89752001
  H     15.66122248      6.21105732    -12.26146926
  H     14.94304222      9.49019369    -10.78817794
  O     13.01719862      6.50672804    -16.23450218
  H     12.11227171      9.07910129    -13.14071322
  H     15.19428541      8.20225808    -11.59983406
  O     15.93281712      6.08358938    -14.06527525
  H     11.09446982      7.94041550    -13.43255347
  H     11.47777510      5.33822642    -13.65683956
  O     13.48511914     10.03467252    -13.68816590
  H     12.64110354     12.76947612     -9.48849879
  H     12.26318731      5.23675824    -12.33514145
  O     17.25901967      9.85797876     -8.36301997
  H     12.43559057     11.38323861    -10.14112905
  H     17.63551222      6.68059886    -13.93590026
  O     14.06424441      4.18323656    -14.88985717
  H     13.40634715      5.67209541    -15.94597097
  H     19.00365048      6.99914096    -14.56340810
  O     14.55944313      9.85453415     -8.97361987
  H     13.69885203      7.17851742    -16.10074691
  H     11.57192880      9.33214141     -9.72954699
  O     17.65457839      7.78106879    -10.06182311
  H     15.58950174      6.87727670    -14.50388549
  H     11.24438167      9.55568249    -11.21381369
  O     12.55543863      8.01315497     -8.66921877
  H     15.39299200      5.34132421    -14.36254106
  H     12.31705017      7.24499309    -11.66999170
  O     15.19703996     12.74612058    -11.74488087
  H     14.06221252      9.78177663    -12.94847304
  H     12.60717094      6.92285369    -10.18904010
  O     15.10602735      9.16208975    -11.67968813
  H     13.81197240     10.88267751    -14.01062163
  H     11.51356513      6.69195611    -15.36073011
  O     12.06508407      4.76133209    -13.15219757
  H     17.42955895      9.06077580     -8.89728633
  H      9.96703222      6.64367792    -15.34771458
  O     18.45019097      7.19153430    -13.81007787
  H     17.86093831      9.82972880     -7.62453996
  H     17.49150699     11.14500287     -9.81764284
  O     11.35091202     10.01702540    -10.37143223
  H     14.05925998      3.25761006    -15.11695066
  H     17.78177464     10.98445717    -11.31740675
  O     12.70185194      6.57600601    -11.08439969
  H     13.36236650      4.31535458    -14.22693090
  H     14.32371131      8.84209497    -14.80989715
  O     10.73077558      6.71237752    -14.78127863
  H     15.46701911      9.95541488     -8.65886709
  H     15.70957422      8.94939650    -15.44070750
  O     17.49355945     11.62461309    -10.65297367
  H     14.18104633     10.72559509     -9.15421714
  H     14.72717405     13.19798674    -14.81497536
  O     14.96291781      8.34317820    -15.33633293
  H     17.94432264      8.25500487    -10.84943245
  H     15.02345175     12.55798805    -13.43665328
  O     14.88156225     12.36331863    -14.38188930
  H     16.95987865      7.18211268    -10.36512572
  H     18.06280002      8.69514666    -12.96692257
  O     17.77895959      9.48266471    -12.47701183
  H     13.31957417      8.61349239     -8.71522220
  H     16.83489732      9.39354617    -12.27248849
          69
 Energy    -248.00869046780289     
  O     14.15062859     10.09145636    -11.07594137
  H     14.14043340     10.58885258    -11.90331710
  H     16.45778705      3.20143934    -10.63559018
  O     14.61378628     10.50312866    -17.17534197
  H     13.39157204      9.48985677    -11.06439698
  H     11.90366221      7.94281766    -11.98241189
  O     17.32337210     10.76000287    -13.23769637
  H     14.15943455      9.91386341    -16.56044413
  H     12.75890705      7.27743047    -10.88556865
  O     13.28976678      5.44503136    -13.45600678
  H     14.53929359     11.38838473    -16.79656314
  H     18.92070668      7.38000399    -14.05936432
  O     15.11791429      7.29188380     -8.29100428
  H     17.67811153     10.71636566    -12.34299879
  H     19.13364675      7.15513841    -12.55678489
  O     17.41288194     12.33771488    -15.57941328
  H     17.51568932      9.92747329    -13.69283683
  H     15.74509563     12.86218298    -15.69894605
  O     15.78601505      7.95336615    -11.92843908
  H     13.49479774      5.45695275    -12.51501157
  H     14.61232223     13.89569796    -15.91965590
  O     14.60496684     11.16810738    -13.58184814
  H     12.56128259      6.06825021    -13.57776756
  H     14.27612793      8.26721929    -14.88594948
  O     18.42226148      7.90270002    -11.04114961
  H     14.50470196      7.17675195     -7.56780585
  H     13.94038803      9.72501738    -14.45509062
  O     18.18218022     10.63597968    -10.50511772
  H     14.72389495      6.84976826     -9.05679529
  H     17.58802572      9.89917344    -18.19466074
  O     17.24758332      4.91165750    -13.15097026
  H     17.53419653     11.63309590    -16.22812172
  H     16.33004215     10.16021357    -17.33030316
  O     16.35259037      4.14465051    -10.72552354
  H     17.52969238     11.91804663    -14.71617418
  H     10.69163040      7.75292293    -14.28563230
  O     12.26889697      8.07921826    -11.09850059
  H     16.70326667      7.95298847    -11.62325585
  H     12.17826960      8.17918122    -14.27603554
  O     19.28409331      6.75130979    -13.42412591
  H     15.34631010      8.75697499    -11.62532288
  H     14.88053821      5.24893680    -10.64326488
  O     14.77742680     12.97664440    -15.72923169
  H     15.55465133     11.03379387    -13.43741115
  H     14.80680228      6.70004362    -11.16641289
  O     13.62356632      8.97381441    -14.97832606
  H     14.52305332     11.88042401    -14.22685118
  H     17.28719054      5.39267674     -9.58808564
  O     17.29553459     10.03873166    -17.29791182
  H     18.26918669      7.32625962    -10.27722851
  H     16.85513466      6.52910977     -8.64535457
  O     11.51043527      7.65136844    -13.80703835
  H     18.51936211      8.81216675    -10.73706889
  H     15.60861366      7.28626650    -13.53113478
  O     14.29048308      6.01263672    -10.71218242
  H     17.41811259     10.44598639     -9.93075755
  H     14.68565804      6.27109288    -14.24692601
  O     17.62144092      6.15175411     -9.09347216
  H     18.71783182     11.27988250    -10.04962443
  H     15.27677428     10.15753594     -9.67874298
  O     15.42423660      6.88037513    -14.39657240
  H     18.06488917      5.42557936    -13.23784359
  H     15.78937597      9.09335767     -8.69856864
  O     15.99859374      9.95988888     -9.06218507
  H     16.61969180      5.34737280    -13.73283579
  H     16.92043423      7.91136623    -14.91826949
  O     17.64720895      8.54687592    -14.94218499
  H     16.70617941      4.38263745    -11.60266367
  H     17.60098482      8.99537947    -15.79644339
          69
 Energy    -248.00855109992685     
  O      1.10143975     -0.60271760      5.42887034
  H      1.67736728     -0.61901234      6.18886981
  H     -0.88072475      3.12084375      1.42002950
  O      1.98918638     -1.53290742     -2.26347928
  H      0.83002345      0.32432021      5.30289229
  H     -2.97154924      1.27948516      5.02852083
  O     -1.58298525     -1.59717805      5.33403335
  H      1.72819656     -2.43321322     -2.02986508
  H     -2.78893937     -0.27036002      5.02269506
  O     -0.11071348     -0.08479102     -0.91007318
  H      1.24656042     -0.97063139     -2.01060577
  H     -0.53916426      1.22527477      2.23183302
  O      1.26850360     -4.04163575     -1.07542758
  H     -0.68173775     -1.28275684      5.48049978
  H      0.93116406      1.43777040      1.79998588
  O      2.91208021     -3.26497194      0.94340048
  H     -1.52712534     -2.16072320      4.55538402
  H     -1.31782008      1.19969962     -1.15962681
  O     -3.32843390      4.13792355      3.00655975
  H     -0.51195118     -0.94325158     -0.70892927
  H     -2.08603486      2.08753891     -2.16307855
  O     -3.65318743     -3.76151500      2.27655383
  H      0.56536896      0.06428979     -0.23521615
  H     -2.50738170      0.10794157      1.56395189
  O      0.26400315      1.92744127      4.97891131
  H      1.85955713     -3.84707333     -0.32587678
  H     -2.34552705      0.21217210      3.10655126
  O      3.98515786     -1.01163791     -0.48439941
  H      1.41962852     -4.95052474     -1.32002676
  H     -1.02695379     -2.72006376      0.70367186
  O     -4.81411182      1.69354265      2.54786116
  H      2.48903289     -2.88862882      1.72617571
  H     -0.29721948     -3.20534434     -0.57643583
  O     -1.61964953      3.59060868      1.00647913
  H      3.43029738     -2.55283423      0.54795487
  H      0.54381409     -2.25911414      2.81499352
  O     -3.29303132      0.45989886      4.63311289
  H     -3.73446642      4.98422762      2.83807102
  H      1.43411686     -1.46508776      3.79787203
  O      0.17870482      1.87870080      2.21451332
  H     -2.71397132      3.97257350      2.26808080
  H     -2.67249425      3.46911618      4.56313611
  O     -2.02241680      1.86566600     -1.23732964
  H     -3.85215869     -3.32577027      1.42941730
  H     -2.65386881      3.57317917      6.10395202
  O     -1.86933463      0.02600048      2.28482785
  H     -4.49258230     -3.99935243      2.65970113
  H      2.71988194     -0.12890209      0.56566508
  O     -1.00059076     -2.62583858     -0.25694443
  H      0.33176907      2.01829520      4.01715556
  H      1.75082954     -0.56454901      1.69740652
  O      1.42808656     -1.88233352      2.92722022
  H     -0.57059898      2.34361533      5.21887147
  H     -1.44773243     -1.67173770      2.48269670
  O     -2.35552511      3.03710670      5.37271096
  H      4.81409742     -0.77092267     -0.88819593
  H     -2.05543445     -3.11421345      2.55262960
  O      1.92053794      0.12632067      1.04025465
  H      3.35299349     -1.17390782     -1.20769164
  H     -3.96020747     -1.45673579      0.00654249
  O     -1.22571466     -2.61241688      2.58761660
  H     -4.41784587      2.56429436      2.66761708
  H     -2.92287104     -2.53374687     -0.36930494
  O     -3.83962042     -2.41129961     -0.09212682
  H     -4.51087581      1.17202981      3.30269558
  H     -3.36915602      0.96446584     -0.24979148
  O     -3.83737084      0.36104688      0.33902801
  H     -1.80025934      3.11384714      0.18863725
  H     -4.29919960      0.87915333      1.01623689
          69
 Energy    -248.00829423792783     
  O     15.75821127      5.02463760    -16.38445691
  H     14.79916307      5.05129695    -16.27749688
  H     17.16736612      4.45599816    -13.06477142
  O     17.89471886      5.91727847     -9.74574411
  H     16.04574674      5.94648064    -16.35581041
  H     18.66501383     10.72456653    -14.55167783
  O     14.86368370     11.38519988    -10.33146917
  H     17.84786968      5.60688106    -10.65919476
  H     17.35160262     11.44632761    -14.18858847
  O     19.80471148      9.59383900    -13.52196215
  H     17.92671606      6.88261632     -9.77882353
  H     16.48784487     10.84257854    -17.72924766
  O     16.62799046      3.32786397    -14.45101669
  H     15.37849322     11.38710120     -9.52569726
  H     16.99300854     10.71510254    -16.27029028
  O     13.05460496      9.24637906     -9.93020564
  H     14.19016215     10.70228112    -10.20361996
  H     16.16442858      9.57306530    -12.54810425
  O     15.52406234      5.42345546     -8.53120078
  H     20.75456491      9.67014309    -13.48469010
  H     16.84101138      8.20391817    -12.87367072
  O     13.77405732      7.52987975    -11.92378717
  H     19.45848453      9.99468597    -12.70452418
  H     13.25963416      4.65978597    -14.81990044
  O     18.59940115     10.74901297    -11.37279733
  H     16.39365192      3.92242384    -15.18650513
  H     12.22706219      4.81314960    -15.96239721
  O     15.20556897      8.27369147     -8.26653707
  H     17.06825115      2.57452026    -14.83509047
  H     14.89582047      5.08695932    -10.26599866
  O     16.24193857      7.75131161    -15.90276359
  H     12.11172124      9.28779973     -9.79216184
  H     15.63644754      5.13729111    -11.62718450
  O     17.30319821      5.16928001    -12.42827782
  H     13.20559761      8.62163002    -10.65956614
  H     15.56045699     11.51954884    -11.97925176
  O     17.94535052     11.24725068    -14.92413380
  H     16.42129027      5.55195010     -8.89160340
  H     15.36132189     11.19929321    -13.50112593
  O     16.36051419     10.35655774    -16.91950195
  H     15.60733823      4.82186700     -7.79603043
  H     16.98267366      8.65807416    -10.68857195
  O     16.19184608      8.63862504    -12.30705945
  H     13.96395842      6.61899288    -11.66287822
  H     16.73750428      8.65818033     -9.16804971
  O     13.00738106      5.20927059    -15.58412143
  H     14.64158063      7.95242391    -12.04517953
  H     13.62148983      7.69439209    -13.74432926
  O     14.76035108      5.05596200    -11.22063764
  H     17.80146157     11.16331616    -11.71558592
  H     13.35394501      6.97164876    -15.08184624
  O     16.02718670     11.38196588    -12.81698282
  H     18.30781444     10.11474031    -10.70123460
  H     14.06672882      4.08470938    -12.65604732
  O     17.43556255      8.72964942     -9.83462381
  H     14.41043071      8.55981777     -8.73070917
  H     14.81257976      3.40642711    -13.81520050
  O     13.69211175      7.79324630    -14.70366134
  H     15.19559125      7.30801208     -8.28127792
  H     14.91485123     10.57922547    -15.64046595
  O     13.93653244      3.69610453    -13.53102312
  H     16.32161583      8.58682793    -16.37895890
  H     13.98596545      9.68371042    -14.80593568
  O     14.37419330     10.56697276    -14.84111211
  H     15.39152923      7.77751095    -15.44001075
  H     18.75822386      8.08622396    -13.84726445
  O     18.08611287      7.39454758    -13.88833071
  H     17.64785839      5.91805324    -12.93485145
  H     17.55121126      7.52372119    -14.68599252
          69
 Energy    -248.00826445900469     
  O     12.82304532     11.75023472    -13.22829635
  H     12.18054742     11.17837720    -12.78022871
  H     17.85992686     12.46712406    -14.27762393
  O     20.10708809      7.80009180    -11.28981026
  H     13.04721046     12.43720443    -12.58942153
  H     12.86085719      7.75396649    -14.34420794
  O     17.26256259     10.74210176    -11.61947342
  H     19.30681511      8.01161818    -10.79317625
  H     12.42742449      7.28172004    -15.75201665
  O     12.93495369      7.83824817    -12.56284688
  H     19.89369168      7.01653588    -11.81225018
  H     15.70079883     10.30203998    -12.30502489
  O     16.71697964      6.52286303    -12.33626953
  H     17.90804672     10.80499633    -12.33817643
  H     14.29906432     10.65472669    -12.94876584
  O     14.36096637      6.37081067    -10.75509225
  H     17.45008730      9.94301427    -11.11136989
  H     13.32110994      9.76175334    -15.63299860
  O     19.28445661      5.77838854    -13.15896747
  H     13.58487035      8.55496108    -12.55749243
  H     13.21678419     11.15442728    -14.95964886
  O     17.75165576      9.38321795    -15.77431089
  H     13.27905950      7.18643746    -11.93524494
  H     14.59963419      9.23169764     -9.12013551
  O     17.48602395      8.30323792    -10.32868244
  H     17.56182523      6.13856047    -12.60297514
  H     14.91402847      8.36924240     -7.87996675
  O     16.03092373     11.42367376    -16.67971888
  H     16.36466266      6.97667575    -13.11380497
  H     20.86404382      8.90757938    -12.41214595
  O     19.89497618      7.68944489    -14.98819755
  H     15.18139414      6.25522945    -11.25383192
  H     22.12619290      9.63346632    -12.93890164
  O     17.09128765     13.00693825    -14.50395544
  H     14.56956175      6.97414012    -10.03261896
  H     16.35745581     13.33716976    -12.86107235
  O     13.03273487      7.86037930    -15.29576739
  H     19.48322308      6.40739475    -13.87589979
  H     16.57076480     12.48310402    -11.60765064
  O     14.85249768      9.94070805    -12.60308832
  H     19.70396648      4.95417975    -13.39045386
  H     14.54146577     13.35527710    -11.27941812
  O     13.60214635     10.68038165    -15.70855191
  H     17.25790093     10.08160307    -16.22305940
  H     13.36875367     14.13020985    -10.62691739
  O     15.07801513      8.44317844     -8.81747105
  H     17.08211295      8.82256430    -15.35618130
  H     18.56074217     10.39777939    -14.48719899
  O     21.21278133      9.45131430    -13.14133343
  H     16.76251300      8.34480824     -9.69260506
  H     19.80222820     10.56871791    -13.57275690
  O     16.09806095     13.26035465    -11.93172879
  H     17.20538457      7.68918471    -11.02416715
  H     11.97216744     10.18655956    -10.85390437
  O     13.62681571     13.27114334    -10.94819292
  H     15.89339822     11.83603852    -17.52891832
  H     11.68495384      9.12641551    -11.91930202
  O     18.94514949     10.95287320    -13.79351625
  H     15.15231018     11.16133624    -16.35328119
  H     14.15768944     10.29325374    -10.87070893
  O     11.40646212      9.99957375    -11.61212639
  H     20.44948418      8.30397423    -14.49090919
  H     13.71428246     11.54795960    -10.11818989
  O     13.79710187     10.59010163    -10.02405444
  H     19.21943830      8.22657183    -15.42091587
  H     15.49194576      8.78682675    -13.86589206
  O     15.72106751      8.05353376    -14.45634668
  H     16.68489367     12.56670757    -15.25867249
  H     14.90343874      7.82840763    -14.91581967
          69
 Energy    -248.00824923364164     
  O      1.61039813      0.12377724      5.16785101
  H      0.83524467     -0.40308072      5.43221669
  H     -1.57196822      3.23813249      1.30305527
  O      1.27358051     -0.94904811     -2.82987456
  H      2.26528101      0.00741427      5.85116385
  H     -2.49821206      0.58283305      4.54113809
  O     -0.64881274     -1.26386955      5.80915514
  H      0.54171359     -0.41490556     -2.48770805
  H     -3.58121479     -0.17856204      5.33091638
  O     -0.63416994      0.45366505     -1.35429125
  H      1.13037879     -1.83440708     -2.47466562
  H      0.63217862      2.85172648      1.19769960
  O      0.85901197     -3.33840984     -1.24878451
  H     -1.04945922     -2.00544601      5.34588892
  H      0.27603625      3.33722099      2.61474764
  O      2.71186912     -2.06587792      0.29298508
  H     -1.35896574     -0.60886277      5.86827915
  H     -3.49193203      2.49544482     -1.84722648
  O     -4.23145656      3.18464552      3.22730931
  H     -0.03534227      0.83006276     -0.69430255
  H     -2.85549364      2.30929604     -0.44453879
  O      0.12463145      2.41620658      4.27539636
  H     -1.41053248      1.02124785     -1.42768999
  H     -1.44903265     -0.07373938      2.60404447
  O      3.24831632      0.21873622     -1.36423679
  H      1.52213906     -2.94440265     -0.65353729
  H     -1.99861995      1.32988287      2.18800658
  O     -4.99644588      0.36896694      2.65724066
  H      1.15280289     -4.22610776     -1.43479493
  H     -0.80690382     -2.61697113     -0.74072620
  O     -4.71950206     -1.51627066      4.53616078
  H      2.42399733     -1.66423651      1.12361928
  H     -1.22634549     -1.13820882     -0.76301175
  O     -2.45301354      2.88064916      1.10963182
  H      3.05787197     -1.33791409     -0.23771289
  H      1.71947099     -0.37830069      3.36226951
  O     -2.83888865      0.42500951      5.43778402
  H     -4.91733009      3.82398535      3.40209592
  H      0.73519062     -1.11119373      2.41300354
  O      0.13132516      3.52518286      1.67819817
  H     -3.60934050      3.23626632      3.97390004
  H     -2.64919893      2.28175154      5.60343904
  O     -3.03507255      1.86732604     -1.29538671
  H     -0.47454843      1.84865896      3.76326573
  H     -1.50392711      3.13983369      5.05541423
  O     -1.68127779      0.80445565      2.93016416
  H      0.75248822      1.80844606      4.67944900
  H      2.06727998      1.07543254     -0.15564411
  O     -1.49284360     -2.01076562     -0.43350711
  H      2.60734456     -0.17208554     -1.98498217
  H      1.41278233      0.67012071      1.18585499
  O      1.59125775     -0.65761095      2.44891230
  H      3.98289693      0.53070833     -1.88521544
  H     -3.22789323     -2.54283661      4.31883137
  O     -2.43985184      3.17374430      5.29115069
  H     -4.76301292      1.28891767      2.81537055
  H     -2.61706446     -3.95986486      4.35717640
  O      1.34037142      1.28691596      0.44362078
  H     -4.60772709      0.10986862      1.80771837
  H     -1.43681505     -2.30199976      2.82604961
  O     -2.40120926     -3.04105059      4.21608442
  H     -5.58427590     -1.72712191      4.87707061
  H     -1.16562894     -1.94062035      1.31669720
  O     -0.90949284     -1.75671000      2.23097573
  H     -4.85252631     -0.86173983      3.82431716
  H     -3.66522478      0.31456325     -0.35895397
  O     -3.81875379     -0.40684649      0.26355158
  H     -3.06489949      3.13532311      1.81134911
  H     -3.19452163     -1.09897182      0.02043879
          69
 Energy    -248.00817451060999     
  O     12.71571247      9.91355376    -11.80689961
  H     12.26864424      9.18441887    -11.36170535
  H     16.88190380      7.56225795    -14.18661707
  O     13.70168641      7.21762028    -13.99107330
  H     12.04134020     10.58227821    -11.98463042
  H     14.04946920     14.58116971     -7.04126620
  O     10.75866797     11.87579865    -12.16747770
  H     13.46763949      6.89079350    -13.11332907
  H     14.10181213     14.36527356     -8.57189755
  O     14.61967722     10.37304865     -9.90316896
  H     13.00149071      7.81742922    -14.27438920
  H      9.80360788     11.61177906     -9.21463851
  O     15.70611510      7.97253592    -10.77219811
  H     10.59080444     12.07214716    -11.23531856
  H     11.29552742     12.00423650     -9.04910967
  O     12.47968722     15.89269104    -11.48293523
  H     11.39410349     12.52849708    -12.49015815
  H     11.95999342      9.95471268     -7.76025767
  O      8.82850859      8.25505392    -11.03359593
  H     13.90279709     10.28974924    -10.55263743
  H     11.64039878      8.76724412     -6.82677966
  O     12.82151326     13.53024926    -12.96014202
  H     15.15821360      9.58214225    -10.03967751
  H     15.08518846     11.88849005    -10.90230272
  O     14.77047108     14.82153749    -10.11418329
  H     16.07378410      8.01603019    -11.66311537
  H     15.30050249     11.92890055    -12.40954205
  O     11.46497101      7.90437408    -10.23691493
  H     14.96450772      7.35979856    -10.84548540
  H     12.08716705      9.93756476    -15.07848884
  O     11.28079298     14.93887658     -9.24152505
  H     12.20053007     16.78553160    -11.66584842
  H     11.48902460      8.83094005    -15.96854258
  O     16.26731331      8.00896913    -13.61152090
  H     11.97417001     15.59269136    -10.70598103
  H      9.86981138     10.48149804    -12.92512599
  O     13.62277284     14.12099455     -7.75915160
  H      9.04904108      8.73257730    -11.85496369
  H     10.27237980      9.32028838    -13.85410823
  O     10.46280907     12.27800089     -9.45559468
  H      8.05957914      7.72422105    -11.22113332
  H      8.80417648      9.48396312     -9.55292670
  O     11.46408802      9.12142116     -7.69494399
  H     13.60095183     13.18442407    -12.50521568
  H      9.68988797      9.67017818     -8.30653193
  O     15.15939294     12.50354069    -11.64484628
  H     12.66192551     14.40589370    -12.58538870
  H     13.75818723     11.16673418    -14.69314632
  O     11.71009238      9.04055711    -15.06358408
  H     15.05457234     14.08591811    -10.67338286
  H     12.75432264     12.30858244    -14.54774327
  O      9.60383152      9.59709718    -13.21674068
  H     14.10800301     15.30320274    -10.62442432
  H     15.53057560      9.69905939    -13.59747259
  O      8.96187522     10.06718946     -8.80028963
  H     10.53814537      7.93397546    -10.51081634
  H     14.19599671     10.16532679    -12.96232728
  O     12.92029943     11.50136268    -15.04631502
  H     11.51553005      8.27388294     -9.34620381
  H     13.28374090      5.38527218    -11.03829717
  O     14.95006912     10.46160211    -13.49513230
  H     10.81468476     14.09639969     -9.33178024
  H     12.66895317      6.79350916    -10.87039434
  O     13.38901159      6.29827193    -11.29473217
  H     11.99287540     14.76891389     -8.61339792
  H     13.54758669     11.07892411     -8.69069559
  O     12.84344559     11.45501996     -8.13998062
  H     15.37875866      7.67011659    -13.82777638
  H     13.12251022     12.34535022     -7.89244663
          69
 Energy    -248.00814111337576     
  O     15.65336467     10.01273153    -14.75587673
  H     14.89070537      9.49958400    -15.00948696
  H     17.51297497     11.69952968    -16.60002759
  O     19.02044176     14.64969285    -16.64174665
  H     15.96642893      9.64318181    -13.91116450
  H     20.34411234     16.69578486    -11.28161719
  O     21.75371023      9.14107586    -14.52772462
  H     19.83304208     14.19695621    -16.89674060
  H     20.21566956     18.02495399    -12.06613403
  O     18.71176152     13.58003623    -10.10368744
  H     19.13854807     14.93399914    -15.72564523
  H     20.36383913     12.78076012    -10.55176845
  O     19.61464665     10.05513592    -10.29158429
  H     22.58375020      8.67067896    -14.54058226
  H     21.88864336     12.99250176    -10.44002314
  O     17.07972226     11.13242967    -10.53565179
  H     21.91549085      9.97898811    -14.05971911
  H     17.52539021      8.73726352    -12.52596151
  O     20.62459626     10.63347909    -16.72680452
  H     18.30833895     13.68320755    -10.97970748
  H     16.62603628      9.67308295    -11.69001378
  O     21.92648772     14.04221203    -14.56187290
  H     18.19709655     12.89011144     -9.67751165
  H     21.92162480     13.21652631    -17.98771890
  O     20.39296945     15.81052486     -9.78813749
  H     20.31805049     10.71151957    -10.35875404
  H     21.16469227     12.25440336    -17.04134337
  O     21.86817584     11.59704584    -13.31374762
  H     19.67617695      9.50728529    -11.08501810
  H     22.14216237     16.29864241    -12.45748754
  O     15.61338014     12.87842229    -14.39736412
  H     17.96325871     10.74829750    -10.40277506
  H     22.74024908     15.13581314    -13.27080362
  O     17.88134993     10.88683322    -16.22825402
  H     17.15988941     11.78907566    -11.23431161
  H     19.68098648     15.86346770    -13.32984022
  O     20.39369916     17.09409420    -12.16935119
  H     19.66093528     10.57148814    -16.67596458
  H     18.75728406     14.61141253    -13.44416507
  O     21.21665633     12.36558691    -10.73671161
  H     20.98074092     10.02693439    -16.06783518
  H     23.00498104     14.90293328    -10.94342803
  O     16.61793566      9.05229347    -12.43002093
  H     21.88151765     13.81361716    -15.49869769
  H     23.75737836     14.60592624     -9.62231432
  O     21.42376009     13.18355973    -17.17516194
  H     21.05357073     14.38352828    -14.31536808
  H     20.18149187      8.67009612    -13.40073782
  O     22.89357006     15.69420661    -12.49737892
  H     19.74260335     15.09625658     -9.75328394
  H     19.17065943      9.77818600    -13.11214030
  O     19.43540607     15.12330632    -13.90056985
  H     21.25837141     15.39087291     -9.70836089
  H     18.78990571     11.34384898    -14.68547987
  O     22.92627422     14.47691284    -10.07078176
  H     21.68711074     11.80356549    -12.38562292
  H     20.06513543     11.57187336    -13.78555150
  O     19.41423110      8.87438189    -12.85696485
  H     22.03256741     12.43783923    -13.76259288
  H     16.26501261     13.63945792    -17.78760063
  O     19.10400042     11.48514417    -13.78272900
  H     15.89872843     13.14573968    -15.27997772
  H     17.52271485     13.86321375    -16.91389037
  O     16.71681823     13.32416666    -17.00977799
  H     15.51261485     11.91945068    -14.44562326
  H     18.18890204     12.67599337    -12.97420004
  O     17.60834411     13.36200519    -12.60299648
  H     17.14690166     10.44636390    -15.77984065
  H     16.79710761     13.33112057    -13.13022560
          69
 Energy    -248.00807869098790     
  O     14.54658600     12.11818153    -13.20330853
  H     15.33443812     12.16087084    -12.64870390
  H     18.18845013      6.18665945    -11.46511807
  O     14.73531670      6.15087570    -14.15384980
  H     14.82012217     11.66831057    -14.01506466
  H     19.09694749     10.30694448    -13.23621716
  O     19.81431989      8.80372076    -12.59052761
  H     15.20884904      6.97749648    -13.96879368
  H     18.42372210     10.81768908    -14.52979074
  O     13.37264332      9.24602470    -16.76031822
  H     15.00633133      5.52679587    -13.46832122
  H     16.16900754      8.75604467    -12.74548976
  O     13.96883594      6.14294406    -10.11776816
  H     19.45528701      8.47223894    -11.75916825
  H     15.84440075      9.21333759    -14.20021601
  O     12.32154868      6.93784945    -13.08310993
  H     19.52361241      8.17421650    -13.26483322
  H     13.06314440     11.49380344    -12.62061626
  O     16.14930897      9.29309783    -10.99349510
  H     12.82221473      9.49325218    -17.49841379
  H     11.65888699     11.73690870    -12.01454488
  O     17.80854458      7.64255758    -17.14936633
  H     12.79696160      9.24123279    -15.97328170
  H     13.56527515      2.17194026    -12.76480284
  O     11.67267604      4.83859113    -11.30839603
  H     13.82653726      7.08302348    -10.27804537
  H     14.20288205      3.40677402    -12.10140761
  O     18.44248733      7.13807893    -14.39843345
  H     13.13291107      5.71542800    -10.34400341
  H     11.89533339      8.40653087    -14.06801269
  O     15.20414584      7.05091420    -16.75846792
  H     13.11269489      6.59828649    -13.52761444
  H     11.92720250      9.92834230    -13.83447761
  O     18.03755952      5.49562278    -12.12212995
  H     11.97641495      6.22614988    -12.53193271
  H     18.42553251      7.65408434     -9.42100933
  O     18.58978917     11.04442176    -13.61098808
  H     15.19001794      9.16511972    -10.99259518
  H     17.52554061      8.26234561    -10.51765980
  O     16.12655161      8.46308881    -13.66337984
  H     16.34382288     10.22918608    -11.13586299
  H     15.06162573      5.19249282    -11.23130304
  O     12.25226631     11.05157035    -12.30850233
  H     18.12253684      7.13220990    -17.89090324
  H     16.40605242      4.84244286    -11.95786572
  O     13.37426213      2.90409453    -12.18530070
  H     16.86842824      7.41245228    -17.03084048
  H     18.49970908     10.79760714    -17.05335891
  O     11.87260804      9.25901967    -14.52578430
  H     10.89214813      4.47086885    -10.90291788
  H     17.97341023      9.39618079    -16.67630894
  O     18.32688455      7.73420710    -10.36654004
  H     12.20193469      4.08770364    -11.63042795
  H     13.11131443      8.10421730    -11.86307625
  O     15.46005594      4.64095943    -11.92097159
  H     17.65410749      7.62444279    -14.10821544
  H     12.99943403      9.57537776    -11.44134821
  O     17.97090345     10.32937111    -16.41115705
  H     18.40416911      7.14981978    -15.35882730
  H     17.52962992     11.63140621    -12.40071046
  O     13.44160987      8.74655828    -11.21891002
  H     15.00843967      6.57550215    -15.93928799
  H     17.36713168     12.56845892    -11.17991318
  O     16.91924196     11.89747654    -11.68758171
  H     14.53855997      7.74568784    -16.82789985
  H     16.23291856     10.59436890    -15.82931799
  O     15.38875973     10.58203516    -15.36114669
  H     18.25818976      5.89397787    -12.97352961
  H     14.72636191     10.17844868    -15.93722098
          69
 Energy    -248.00801258508051     
  O     15.40926093      8.49186426    -15.46072705
  H     16.19226637      8.37039587    -14.90654491
  H     16.21003035     12.53388759     -9.48936753
  O     14.26377968     11.90742175    -14.58443220
  H     14.70645907      8.76679804    -14.86035391
  H     18.45878123     16.30082460    -13.74198105
  O     20.22027545     11.53795062    -12.50383434
  H     13.80448429     11.14673764    -14.21216623
  H     18.86796233     17.78020862    -13.78982082
  O     15.14416358      9.65593260    -11.28468554
  H     15.20588985     11.71737145    -14.45774518
  H     19.80529246     11.06832093    -16.33317539
  O     18.83373000     10.22715163    -10.30346352
  H     20.78102043     12.10207486    -13.05392480
  H     21.05664808     11.60991698    -15.58761370
  O     17.60089768      8.56708331    -13.70898756
  H     20.20392020     10.68178564    -12.95072725
  H     18.01383170      8.73864240    -10.69830460
  O     14.46964256     12.13549316    -17.36916659
  H     15.82350927      8.98935893    -11.12917892
  H     17.63308687      7.27063179    -10.38337990
  O     17.95606618     14.22244280    -16.62075534
  H     15.48849782     10.46779143    -10.89320264
  H     14.99809311     13.77827456    -17.50362552
  O     18.03291280     11.44690217    -16.63025969
  H     18.09958004     10.82181052    -10.10031035
  H     14.87921519     15.17581041    -18.15671247
  O     13.53430979      9.42841878    -13.46931951
  H     19.40870481     10.70457922    -10.91237372
  H     19.63486549     14.83889655    -16.05537896
  O     16.04855818      9.79137450    -17.76323327
  H     18.54704918      8.67249802    -13.87589744
  H     20.12564260     15.78075270    -14.93063173
  O     16.50501139     11.88970194    -10.12775075
  H     17.51292304      8.27018634    -12.79454080
  H     17.59175170     14.66644046    -14.86246681
  O     19.22551623     16.89593686    -13.76186005
  H     14.27536895     12.02766982    -16.42730586
  H     16.30039864     14.94986749    -14.06649092
  O     20.68212492     10.82427783    -16.00446877
  H     14.96268952     11.34762373    -17.62395687
  H     21.23609694     13.75403958    -14.79693634
  O     17.44989717      7.99420428    -10.97590684
  H     18.01708338     13.26232199    -16.72272344
  H     22.62103403     13.20232274    -14.39728470
  O     15.30638022     14.70152862    -17.44874212
  H     17.10097167     14.48276220    -16.98623768
  H     21.05218158      8.48944988    -13.92796004
  O     20.40349388     15.06141203    -15.51426497
  H     17.45227630     10.89185342    -17.16371516
  H     20.47376455      9.64327513    -14.78450506
  O     17.26575272     14.94097160    -13.99410161
  H     17.66842303     11.41853676    -15.73189807
  H     17.07766630     10.33466975    -13.88642637
  O     21.69236141     12.98574952    -14.40850788
  H     14.08900692      9.51115376    -12.67319923
  H     17.23340702     11.81833322    -13.41342346
  O     20.31803611      9.09411900    -13.99406716
  H     12.71892716      9.01942708    -13.19185557
  H     14.35966939     13.79052970    -14.51854713
  O     16.91619420     11.25556986    -14.12918361
  H     16.02209666      9.16424858    -18.48075481
  H     14.74495892     14.83630800    -15.57896550
  O     14.61840434     14.71555555    -14.62953870
  H     15.79309067      9.30507080    -16.95872600
  H     17.74401929     13.74979877    -12.76465161
  O     17.87472424     12.99673824    -12.17099315
  H     16.93240312     12.38519998    -10.84874971
  H     18.75860704     12.62649596    -12.30063604
          69
 Energy    -248.00797903873706     
  O     11.55450586      9.46278748    -15.53629180
  H     11.23584598      8.97999870    -14.76502984
  H     16.38482001      5.77532454    -14.58167606
  O     16.16620555      6.83466859    -13.05825920
  H     12.15628874      8.86893958    -16.00664688
  H     14.28667293     11.50408050    -16.44747576
  O     16.06172694     10.57288861    -11.30571169
  H     15.74076795      7.49979200    -13.62404210
  H     15.80824194     11.28761649    -16.32086655
  O     16.96452145     10.89009025    -14.97704826
  H     16.88469576      7.30128562    -12.61694976
  H     15.70021083      9.50053995    -14.80831399
  O     13.55576580      5.17555291    -15.92668658
  H     15.31178613     10.68825194    -11.90708744
  H     14.55124957      8.53886475    -15.29368468
  O     14.59918060      9.43336728     -9.26262815
  H     15.68031855     10.24416231    -10.47991856
  H     11.28288391      8.36115588    -12.44449908
  O     14.07648107      6.47686867    -11.33398782
  H     17.74507408     10.32473805    -14.93393016
  H      9.83613337      8.00387723    -12.84933637
  O     13.81751882     10.63813693    -12.94556275
  H     17.05894805     11.54642056    -14.27234640
  H     18.88798128      6.61839532     -9.65136436
  O     17.60965500      7.69909031    -16.57074401
  H     13.15911783      5.34773166    -15.05332631
  H     18.12263743      7.64880803    -10.49458764
  O     15.46433566      6.72205749     -8.87647383
  H     13.13810719      4.38889400    -16.26675040
  H     12.97053695      5.86597559    -12.72649857
  O     18.97751959      8.96916960    -14.63827870
  H     14.88817086      8.54387638     -9.02496101
  H     11.78911032      6.48472865    -13.49476924
  O     16.37554305      5.46992682    -15.49939660
  H     13.76942471      9.31817172     -9.74072605
  H     16.92231921     11.94157562    -12.12137747
  O     15.07318984     11.26601681    -16.95125671
  H     14.82949091      6.54714099    -11.94132861
  H     17.23471892     13.41854218    -12.41339707
  O     15.05675177      8.83618337    -14.52710608
  H     14.45431512      6.42639781    -10.44871019
  H     18.39728202      8.81516753    -12.84479216
  O     10.73051742      8.04636186    -13.17934021
  H     14.20069596      9.91909934    -13.47486987
  H     17.36884557      9.35542432    -11.79350017
  O     18.04228654      7.05218203     -9.73339856
  H     13.44275723     11.24720949    -13.59044782
  H     15.38950545      9.81143460    -17.85285410
  O     12.44831958      5.78201177    -13.53463691
  H     17.20674920      6.86889408    -16.27390664
  H     15.71651771      9.08807195    -19.18095611
  O     17.28373121     12.54417996    -12.79100197
  H     16.98312475      8.10911307    -17.17533979
  H     12.96403184      9.51722160    -11.81245336
  O     18.01040071      8.65343471    -11.97556431
  H     16.39339291      6.80800105     -9.15159972
  H     13.10789846      8.03890082    -11.31048218
  O     15.58232348      8.94165689    -18.24841304
  H     15.46555588      6.25444987     -8.04524345
  H     12.28364501     11.02202145    -15.39854576
  O     12.55191741      8.83197763    -11.26458281
  H     18.52079497      8.45708336    -15.33205402
  H     12.17491077     12.56291344    -15.48587893
  O     12.77951647     11.85406412    -15.28339236
  H     19.89506392      9.01583370    -14.89366163
  H     13.56499594      6.91060096    -16.53879382
  O     13.54436255      7.86705931    -16.67352794
  H     15.45258968      5.26983024    -15.69285188
  H     14.19525711      8.10070114    -17.34785794
          69
 Energy    -248.00796862074023     
  O     19.49949694      6.97949342    -13.52755253
  H     19.04702236      6.14564733    -13.33335821
  H     13.65223253      4.53461529    -14.03827671
  O     14.22108720      4.42460978    -15.81628634
  H     20.02875815      6.81464376    -14.30588754
  H     13.28892482      9.64912955    -11.36821026
  O     12.93725912      9.45428206    -13.07846194
  H     13.69908774      5.20594095    -16.07683462
  H     14.19914080     10.39777132    -10.36067439
  O     11.47642805      8.06383914     -9.48528033
  H     14.02193178      3.73970512    -16.44929169
  H     15.10559869      7.99665081    -14.66326182
  O     12.79421079      6.65435392    -16.31914487
  H     12.44327186      8.68257595    -13.39200941
  H     14.49138694      8.48311530    -13.33623033
  O     16.86581316      5.52718309    -15.60961612
  H     13.12977791     10.04013871    -13.82065738
  H     17.15718501      5.05343204    -12.62273614
  O     15.71463991     11.51119424    -10.46119188
  H     11.97638034      7.35660271     -9.06025109
  H     18.09304576      3.82302461    -12.69421565
  O     13.08308820      5.80960989     -8.67791369
  H     12.12616216      8.73720897     -9.72761937
  H     13.84823212     11.94989609    -15.44548931
  O     17.37378597      8.19245827    -16.19861245
  H     13.40322303      7.39312222    -16.46499150
  H     14.82167880     11.25257630    -14.46328055
  O     10.04835792      6.86549340    -11.46096824
  H     12.27357776      6.87411313    -15.53715793
  H     11.04773563      7.00530801    -13.01942133
  O     11.82908157      4.70147990    -10.81874288
  H     15.99273189      5.12861569    -15.70853066
  H     12.33930795      6.30737097    -13.50077898
  O     13.39779013      4.80213769    -13.14651820
  H     17.25393504      5.13252104    -14.82118823
  H     15.64978051      8.59815627    -16.51904623
  O     13.57020515      9.67149225    -10.44040091
  H     16.31111454     10.74642869    -10.36071830
  H     14.50252752      9.56307897    -16.07096427
  O     15.20291013      7.94566716    -13.70481598
  H     16.02356583     12.18277852     -9.85908432
  H     16.79319262     10.70079125    -13.32762702
  O     17.94109138      4.68687434    -13.06797499
  H     12.66679355      5.34043578     -9.42330032
  H     15.93065115     11.54218047    -12.36727759
  O     14.07057504     11.10379172    -15.06666726
  H     12.98561088      5.25066103     -7.91181154
  H     15.54816577      6.30572834    -11.21086632
  O     11.74054656      7.04342992    -13.69143882
  H     17.27300033      7.24031717    -16.03340830
  H     15.56281668      6.54954692    -12.73581031
  O     14.69124479      8.67363050    -16.39452358
  H     17.71985598      8.57036419    -15.38735986
  H     16.84856857      8.60485975    -13.39047003
  O     16.10705007     11.37996837    -13.30176032
  H      9.11374034      6.96749784    -11.30322043
  H     18.39184026      8.35466588    -13.27884575
  O     15.71850242      5.87211209    -12.05725841
  H     10.50785670      7.36283837    -10.76051749
  H     16.63990627      8.50387066    -10.13566337
  O     17.70291401      9.03299978    -13.22537963
  H     12.33568318      4.57544508    -11.63201816
  H     17.47399519      9.09980030    -11.30337783
  O     17.19782249      9.24916232    -10.39069550
  H     11.11510743      5.30991981    -11.04553124
  H     14.50292109      6.81467584     -9.33307049
  O     15.08839185      7.38649664     -9.84566853
  H     14.21017496      5.08486798    -12.70399453
  H     14.56477242      8.16952174    -10.07106854
          69
 Energy    -248.00788517771664     
  O      9.06368927     -0.27571565     -0.20160585
  H      9.90138426      0.18230828     -0.37117669
  H     10.98969161      2.42893223      2.08744363
  O      7.53465991      2.48315441      4.58290433
  H      8.65118152     -0.44715884     -1.05840324
  H      6.51532342      1.06236245      3.68788536
  O      9.97152650      5.41474599      1.81072448
  H      7.78395735      2.47006216      5.50391964
  H      6.93306126     -0.18211392      2.87859342
  O      6.11095303      4.83405176     -1.32078363
  H      8.31335154      2.19164120      4.07746886
  H     10.43323234      2.45732479     -1.88983723
  O      5.12118552      4.44880876      1.32597544
  H      9.11529585      5.20203093      2.22384363
  H      9.67880688      3.80453867     -1.93598168
  O      9.86845762      0.90596567     -5.83738392
  H     10.26012836      6.23900198      2.19368812
  H     11.97094228      0.99962749     -1.24564470
  O      5.30473868      1.78063162      0.90834991
  H      5.69605984      4.80529590     -0.45070922
  H     11.50212284      1.88548587     -0.00365005
  O      5.58985694      0.58653867     -1.54782802
  H      7.05957658      4.91700511     -1.15160004
  H     11.33653414      1.87474550     -5.06435067
  O     12.89348523      0.37390605     -2.75495658
  H      5.09322425      3.48411800      1.19475655
  H     11.35299864      2.77788741     -3.82145938
  O      8.78971053      4.62689823     -0.59503630
  H      4.26868040      4.70310555      1.67042092
  H      4.85299993      3.22635450     -3.70030446
  O     10.51418532     -1.03949058     -3.80706159
  H      9.15835969      1.29704047     -5.30026878
  H      5.76643904      3.64248411     -2.52410054
  O     11.51048036      2.95616827      1.46681480
  H      9.52590819      0.81786963     -6.72295270
  H      7.96341061      0.35217443     -3.15940714
  O      6.17891032      0.38023566      3.09424442
  H      5.30585921      1.26331775      0.08951439
  H      8.84124774     -0.89755759     -3.06463369
  O     10.06065464      3.11485178     -2.49428905
  H      5.48925180      1.19665675      1.65892131
  H      7.22681075      2.37249620     -3.83837451
  O     11.21938642      1.29728747     -0.71925171
  H      5.53342299      1.35194446     -2.13481408
  H      8.74772164      2.42446278     -3.48607094
  O     11.93015761      2.29402322     -4.42893313
  H      6.28485156      0.02643836     -1.90981019
  H      7.44327431      4.06960305      3.51752059
  O      5.60310041      2.94443791     -3.18337087
  H     13.79834957      0.13542318     -2.93684851
  H      6.73017580      4.74007332      2.32736808
  O      8.01987055     -0.51048111     -2.72589990
  H     12.65528164      1.07467349     -3.38822361
  H      7.09371476      2.13670987      0.65364415
  O      8.08534891      1.98100581     -4.03845464
  H      8.52096347      3.77092013     -0.22029784
  H      8.35054727      1.38331387      0.15531304
  O      7.53036878      4.77467374      2.86530488
  H      9.25638197      5.08198220      0.11454696
  H      8.98290607      1.95671244      2.07832935
  O      8.04505138      2.22516901      0.51719744
  H     10.37360442     -0.48618629     -4.58639451
  H      9.32411620      0.64317613      2.81194154
  O      9.45498495      1.59942451      2.84810971
  H     11.31495799     -0.70151763     -3.39198096
  H      8.73750779     -0.86199853      1.41469650
  O      8.59560816     -1.03412617      2.36262776
  H     11.12617895      3.83891150      1.51993036
  H      8.82374577     -1.94763300      2.51230146
          69
 Energy    -248.00779148078848     
  O     15.88193487     11.09128885    -15.65375544
  H     16.34901499     11.01014692    -14.80931139
  H     12.50460611      8.18131396     -8.88321213
  O     11.62447857      7.73945211    -12.32496387
  H     15.03022721     11.48626086    -15.43803268
  H     15.04524498     12.85835337    -11.81639441
  O     13.36071994     10.85478174    -10.18768168
  H     11.30464330      6.94773775    -12.78244742
  H     13.73227546     12.18551699    -11.40042206
  O     19.58896493      9.45607649    -13.25780327
  H     12.01445951      8.32660628    -12.98708001
  H     14.48615961      9.86390005    -11.31915412
  O     13.61278025      4.94250298    -14.35347925
  H     13.83624015     10.71113526     -9.35853531
  H     14.81409724      8.38193984    -11.63556991
  O     16.73454036      6.70733074    -13.19345979
  H     12.54801246     10.33594094    -10.13687206
  H     16.29553265      9.61942065    -16.46601071
  O     13.11171906      9.38081062    -14.00230006
  H     20.50560264      9.66380963    -13.41226690
  H     16.57191552      8.82730687    -17.76790788
  O     17.01384397     10.32934709     -9.51515113
  H     19.32076555      8.82938393    -13.95484719
  H     17.95421681      8.06369025    -15.72544997
  O     15.27171717      4.62408736    -12.03010284
  H     14.18303333      4.67712648    -13.62255196
  H     18.01544105      7.22771422    -14.42857681
  O     14.85904220     10.07988767     -7.94951053
  H     14.01216642      5.74010086    -14.72661734
  H     10.24644338      9.17300301     -9.81405448
  O     18.01491105      8.29302237    -11.16811479
  H     16.41276883      5.88285182    -12.80990375
  H     11.25214460      8.58631960    -10.83124007
  O     13.31464878      7.76447887     -8.56352448
  H     16.03265713      7.01601836    -13.78403807
  H     13.14943357      7.00074425    -11.50744135
  O     14.12653283     12.74302925    -12.08540673
  H     13.78515839      9.38657897    -13.30255676
  H     13.81831716      7.02586009    -10.10304480
  O     14.92857029      9.28580965    -11.95482449
  H     13.06539179     10.28658849    -14.32784759
  H     10.42929750      4.88492642    -14.14466942
  O     16.52759903      8.74140853    -16.81958355
  H     17.34818762      9.60292982    -10.06132630
  H     11.92198278      5.20962766    -13.95395507
  O     18.55892747      7.73264438    -15.05085371
  H     17.02506534     11.12524700    -10.05688824
  H     17.00766770     12.00810812    -12.04263416
  O     11.17770523      9.08349005     -9.99803890
  H     14.79460815      5.35772927    -11.60126604
  H     17.56806527     13.29400453    -11.39067630
  O     13.96230418      6.78730601    -11.03092836
  H     15.39923833      3.95197368    -11.36642525
  H     14.13575047      8.09033420    -14.82456790
  O     11.02459309      5.45961381    -13.67248609
  H     15.05807877     10.42733830     -7.08480071
  H     15.32702280      7.78717017    -15.77228065
  O     16.88269673     12.63541201    -11.30881757
  H     15.68453560     10.12568280     -8.46710254
  H     13.66248898     12.37561357    -13.72721834
  O     14.77068131      7.40822270    -15.08051434
  H     17.51414201      7.72223712    -11.76480715
  H     12.84418273     12.80116350    -14.96714426
  O     13.40395711     12.10819939    -14.62779787
  H     18.73302408      8.64038902    -11.71022670
  H     16.43585390     10.07557891    -12.73473121
  O     17.05647231     10.67394064    -13.17659662
  H     13.88299635      8.48525689     -8.26281551
  H     17.92618948     10.25510882    -13.19092992
          69
 Energy    -248.00767275085357     
  O      2.02559464      1.28305347      4.05713455
  H      2.77517654      1.54929292      4.58413817
  H     -1.62374449      2.68048249      0.85985497
  O     -0.49466512     -0.45086744     -2.85430097
  H      1.53296209      0.62983766      4.58601520
  H     -2.14283489      1.62854417      5.53397640
  O      0.55813579     -0.48251517      5.49187724
  H     -0.27629545     -1.34722169     -2.56958724
  H     -2.77737012      0.24398466      5.88445563
  O      0.36551430     -2.91596233     -1.65640457
  H     -1.22718623     -0.16490948     -2.29439363
  H     -0.07618095      4.69507076      0.43747171
  O      2.47276988     -1.36659475     -0.91773160
  H      0.36324999     -1.40031274      5.27310321
  H      0.44674454      3.23547650      0.46676237
  O     -4.25024448      2.48425470      2.94263613
  H     -0.29340855     -0.06917250      5.69513606
  H     -2.48637572      0.82166400     -0.37763388
  O     -2.95510032     -2.80594688      4.71522660
  H      0.69031821     -3.71274303     -2.06684193
  H     -3.52471281      0.16063564     -1.30660613
  O      0.02363691      3.30955292      3.63382388
  H      1.14585299     -2.42506723     -1.34113315
  H     -1.72697299      0.35356428      3.83584275
  O      1.88629091      0.83220633     -2.65545574
  H      2.44126062     -0.62649920     -1.53714688
  H     -0.91931761     -0.41913744      2.74199369
  O     -5.29700606      0.00425472      3.64875896
  H      2.51352598     -0.97166279     -0.03732753
  H     -2.02174945     -1.47625531     -0.27084786
  O     -4.34537790     -0.69914154      6.06278345
  H     -3.66954219      2.83617711      3.62800193
  H     -1.05782094     -2.65981953     -0.50748701
  O     -2.28454691      1.98108743      0.92917597
  H     -3.70273458      2.42069622      2.15043880
  H      1.43956756     -0.73429931      1.75748000
  O     -1.95299490      0.68774161      5.64714452
  H     -3.42757401     -2.20035573      5.29784383
  H      2.22393770      0.42377626      2.40202419
  O     -0.19662839      3.85206537      0.86476816
  H     -3.24470014     -2.58282170      3.82006265
  H     -2.40893332      4.16823711      5.42193692
  O     -2.61005695      0.11811273     -1.03618878
  H      0.00432514      3.53782190      2.69610968
  H     -1.48141298      3.37510590      4.47014646
  O     -1.65254488      0.19155934      2.88789583
  H      0.70426385      2.63559637      3.74334223
  H      1.64889061      1.73946704     -1.03787903
  O     -1.71957878     -2.31456633      0.10637833
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  H      1.70740653      1.33113142      0.45167031
  O      2.11656988     -0.06435115      1.57676392
  H      2.20843293      1.09481729     -3.51303906
  H     -1.24309947     -3.02862565      4.70973872
  O     -2.33928617      3.35276375      4.93306630
  H     -4.92181579     -0.61694736      3.01358931
  H     -0.02794682     -3.94309286      4.99670439
  O      1.49644018      2.06322400     -0.14305085
  H     -5.00993931      0.88979665      3.37920228
  H      0.01646780     -2.39823828      2.94652622
  O     -0.27500748     -3.10045955      4.62586618
  H     -4.76541576     -0.42879364      5.22461927
  H     -0.52116944     -2.10294331      1.49633777
  O      0.11918663     -1.83488899      2.16887359
  H     -5.03490271     -0.73349557      6.71933708
  H     -2.96920128     -0.99834418      2.45279849
  O     -3.55928054     -1.72201511      2.18774425
  H     -2.00875775      1.39643357      1.65433261
  H     -3.11805912     -2.14372799      1.44253918
          69
 Energy    -248.00761311912612     
  O     -1.86554167      0.58387405     -3.61670160
  H     -1.10874847      0.11265208     -3.24629505
  H     -8.38407245     -3.59410400     -0.14043081
  O     -5.37892289     -5.27662164     -0.66904373
  H     -2.52634415      0.61659110     -2.91206202
  H     -2.12605480     -5.96790816      1.06557655
  O     -5.81739278     -1.91274718      1.45901008
  H     -4.62109983     -4.69952355     -0.85609989
  H     -0.68897979     -6.46116212      1.34511807
  O     -1.96370807     -5.92004822     -6.06733712
  H     -6.14445040     -4.70054981     -0.54537816
  H     -1.63624832     -2.48353836      0.96371232
  O     -3.95260291     -3.44614536      2.92913813
  H     -6.36707442     -2.53297817      0.96615406
  H     -1.30600033     -3.95619022      1.33272345
  O      0.12550954     -1.01446307     -2.37370010
  H     -5.18636422     -2.43753673      1.96572054
  H     -2.65706488     -0.07151718     -5.01494314
  O     -1.10225327     -5.39531457     -1.95862951
  H     -1.13176304     -6.01752173     -6.52604076
  H     -3.18616143      0.11355336     -6.45703589
  O     -3.89482536      0.11523515     -1.71195086
  H     -2.11126318     -4.96509801     -5.99431396
  H     -1.02078151     -3.30537298     -4.30656690
  O     -5.95791870      0.43000881      0.13522696
  H     -3.08231800     -3.26689217      2.52860096
  H     -0.47415889     -4.08872640     -3.08566740
  O     -1.94642933     -1.46493053     -0.53395759
  H     -3.84685099     -3.34161150      3.87128816
  H     -6.67548487     -1.15321830     -2.62514320
  O     -2.49885166     -3.23837665     -5.47741411
  H      0.01941788     -1.85335182     -2.86002406
  H     -6.91181989     -0.54514140     -1.22636449
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  H     -4.67939543     -0.85586550     -4.56030259
  O     -1.19375375     -5.85493002      0.80875246
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  H     -5.13968778     -2.14607987     -3.85657938
  O     -1.57193992     -3.10594523      1.70140965
  H     -1.03989339     -5.67575965     -1.03765874
  H     -2.86748839     -2.92392570     -1.12531779
  O     -3.18921129     -0.48776090     -5.71720341
  H     -4.35754354     -0.37043519     -2.40919423
  H     -2.50193584     -4.32698606     -1.66881312
  O     -0.31132116     -3.32252654     -3.65280477
  H     -4.55942238      0.35279238     -1.05360157
  H     -3.55154161     -6.93672589     -3.45176067
  O     -7.23603113     -1.21501710     -1.84138849
  H     -5.86249771     -0.37409024      0.67853034
  H     -2.39757611     -6.71304969     -4.45772110
  O     -5.22956824     -1.18152878     -3.83831930
  H     -6.28563100      1.11596487      0.70976311
  H     -3.95091195     -5.16819886      2.10648049
  O     -3.24545963     -3.73664793     -1.47939632
  H     -1.17266534     -1.31327614     -1.09246615
  H     -4.43910812     -5.88319214      0.83456241
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  H     -3.26283606     -3.51768972     -4.95100031
  H     -4.12206859     -3.75709432     -3.00361131
  O     -4.63114395     -3.86469786     -3.82366563
  H     -2.65478148     -2.31204398     -5.69394375
  H     -5.45326715     -6.17713232     -2.22053019
  O     -5.41188766     -6.49666110     -3.13778123
  H     -7.40807156     -2.69614852     -0.93381351
  H     -6.12028035     -7.12604839     -3.24445742
          69
 Energy    -248.00749609821344     
  O     14.99265365      5.20937905    -16.19219443
  H     15.13755560      6.15206840    -16.35170015
  H     17.67518451     11.52811841    -14.51785585
  O     18.39108899      6.03092178    -10.55013831
  H     14.10821674      5.13253251    -15.81294377
  H     16.20975001     10.92156706    -16.30072950
  O     14.20178751     10.96636832     -9.59967726
  H     19.09871294      5.46381768    -10.25392058
  H     15.37771409     11.30262526    -17.54992415
  O     16.52686330      4.12843197    -14.25073968
  H     18.41518787      6.02321889    -11.52464698
  H     16.99716422      8.92379371    -11.40420905
  O     12.93724048      8.39639024     -9.77020148
  H     14.49094415     11.18692779    -10.50047327
  H     15.95346902      9.84036040    -12.12666802
  O     15.72844147      5.20907572     -9.88587109
  H     13.80031472     11.75516325     -9.24311229
  H     11.84583755      4.51251662    -14.54758187
  O     14.10494244      7.47305573    -12.05319408
  H     16.73443913      3.22507432    -14.47578578
  H     13.13897439      4.90621400    -13.80522631
  O     19.41235234     10.80449187    -11.54499955
  H     16.04781271      4.50233234    -15.01172573
  H     15.66949734      8.45792924     -8.18969578
  O     14.62967565      6.89242228     -8.05938785
  H     13.41075317      7.87612990     -9.10733734
  H     15.52965886      9.89587631     -8.73178526
  O     15.22912360      8.00076996    -16.18416137
  H     13.26231158      9.30118843     -9.68347228
  H     15.19144025      4.60251945    -13.00411767
  O     18.37342161      5.99072701    -13.23608761
  H     15.27698349      4.92518469    -10.68817513
  H     14.36340885      5.75234402    -12.31882274
  O     17.64744395     11.00719252    -15.32794955
  H     16.62502593      5.46070377    -10.14042523
  H     18.27902501     11.87277376    -12.35011728
  O     15.36762845     10.76301152    -16.76450660
  H     13.60645420      7.76029544    -11.27521341
  H     17.98539803     13.33020608    -12.77120731
  O     16.37430201      8.97093665    -12.13959734
  H     14.95121180      7.94048031    -12.04940007
  H     18.34432147      7.84256212    -10.14401871
  O     12.60663786      5.08606310    -14.59711685
  H     20.22375859     10.44801132    -11.89984876
  H     17.57107204      8.97631088     -9.38369380
  O     16.16749458      9.26343534     -8.37944127
  H     19.05665717     10.11810851    -10.95820749
  H     14.58630501     11.26474178    -12.94162629
  O     14.41600949      4.79167682    -12.45946386
  H     15.00667129      6.26663071     -8.70283261
  H     15.91929696     11.90966666    -12.40783858
  O     17.65142652     12.43862363    -12.83312494
  H     14.43306252      6.38998554     -7.27335382
  H     13.36823213      7.85998836    -13.59511699
  O     18.22961967      8.79844561    -10.07449018
  H     14.46225446      7.99802585    -15.59206372
  H     12.63796280      7.07815630    -14.68597711
  O     15.11303504     11.44718093    -12.14675991
  H     15.27051614      8.88752036    -16.56172727
  H     13.31442421      9.86593053    -14.44174831
  O     13.00845194      7.94556106    -14.49302246
  H     17.80049376      5.30980799    -13.61067747
  H     14.22941425     10.81974677    -15.23119091
  O     13.74781602     10.72668870    -14.39991876
  H     18.20773830      6.78907147    -13.75428443
  H     16.76623119      8.10634885    -15.14436897
  O     17.50004729      8.30524830    -14.54736635
  H     17.77448073     10.08438847    -15.06591141
  H     17.10262753      8.55006802    -13.69653477
          69
 Energy    -248.00724430034938     
  O     12.48399095      9.73814697    -10.99026494
  H     13.09603061      9.19945039    -11.50505060
  H      9.44668809     12.14130606     -9.19061245
  O     11.62225727      6.62648984    -13.31166410
  H     12.89143091      9.91575428    -10.13095719
  H     10.92822614      8.06820884     -7.81832800
  O     11.27015228     11.98406855    -11.91125721
  H     11.39055732      5.88012212    -13.85698962
  H     11.02580908      7.31137772     -9.16001572
  O     13.55775041     10.23136709     -8.50677022
  H     11.40773458      7.43011826    -13.82148665
  H      9.39190970      9.92268435     -7.72471400
  O     15.68145466      8.28561941    -10.38323683
  H     11.73891879     11.18471895    -11.62075250
  H     10.65186417     10.32827299     -6.95044493
  O     13.26014904     13.96790323    -11.98617195
  H     11.92902186     12.67486388    -12.04627328
  H     14.36938890      6.99133718     -7.36755771
  O      8.41129637      9.47554866    -11.21072111
  H     13.72781223      9.33862068     -8.18236208
  H     13.10088591      7.37982405     -8.16176994
  O     10.56124108      7.72894531    -10.93443345
  H     12.88682617     10.65545319     -7.95589148
  H     14.80834058     11.47371842     -8.66428133
  O     12.29166011     14.62218454     -9.54508452
  H     15.17914975      7.97060464     -9.62330794
  H     16.02089687     11.90027016     -9.48063495
  O     14.87485732     11.76614757    -12.79706810
  H     15.17789574      8.03109936    -11.16881038
  H     12.06303492      9.43632344    -14.61366052
  O     13.86072756     13.83377268     -7.32327693
  H     13.32630372     14.77060286    -12.49718529
  H     10.55771390      9.60916671    -14.27759643
  O     10.23789177     12.66364027     -9.37589222
  H     12.99089146     14.23500401    -11.08952737
  H      8.88549714     11.53881743    -13.99527661
  O     11.39272397      7.34727123     -8.26846317
  H      9.06261647      8.76829238    -11.10133758
  H     10.03341283     11.35381230    -12.97297578
  O     10.10682859      9.56717743     -7.18340085
  H      8.62935559      9.91031066    -12.04232937
  H      7.24378030     10.88820946     -8.64802195
  O     14.06227583      7.53024091     -8.09130266
  H     11.17908842      8.47522534    -10.88973975
  H      8.20293119     10.33929456     -9.73111187
  O     15.43849750     12.20286797     -8.77787559
  H     10.83275454      7.20494649    -11.69673593
  H     14.38416310     10.09294027    -15.36298120
  O     11.21628477      8.97320971    -14.58181364
  H     11.47983091     14.11470119     -9.41777661
  H     14.21766952     10.67232416    -13.94012645
  O      9.38638960     10.87831078    -13.52330749
  H     12.83761420     14.45660489     -8.76612038
  H     17.64270979     10.64602037    -11.04834851
  O      8.16228517     10.84565450     -8.89984498
  H     15.50573073     11.47057905    -12.12896063
  H     16.36071176      9.88177794    -10.65821528
  O     13.88644581      9.99324686    -14.55557784
  H     14.41580358     12.53344191    -12.43682820
  H     14.07539546      8.58762709    -13.34043119
  O     16.71008972     10.76174766    -10.88566257
  H     14.50545338     13.31625137     -7.84031267
  H     13.28434152      7.36669142    -12.80500231
  O     14.01049641      7.96939849    -12.60027813
  H     14.35723727     14.31878147     -6.67013764
  H     11.23712384     12.16398537     -7.92552069
  O     11.77680759     11.87815961     -7.17271348
  H     10.53695938     12.40182076    -10.25728038
  H     12.44327492     12.56362109     -7.04364194
          69
 Energy    -248.00709365181172     
  O     11.06093506     10.81489775    -15.42087995
  H     11.39746786     10.81959534    -16.32564800
  H     13.33682154     14.68029624    -12.38538122
  O     13.73507940      9.81968346     -9.80564029
  H     10.97406079     11.74292041    -15.16147329
  H     12.56947714     12.95873738    -17.24025321
  O     18.35781042     12.83487238    -12.74197007
  H     13.81412893     10.76132500     -9.61859857
  H     12.00119361     13.83977924    -16.12501086
  O     11.55811397     12.70558342    -10.93646675
  H     12.90186289      9.70523267    -10.28318493
  H     13.93706216     11.11423284    -13.61532044
  O     11.44384004      9.93232004    -11.42206780
  H     19.28846646     13.01069847    -12.63599788
  H     15.07179636     11.79404992    -12.78414395
  O     12.94203944      9.63246654    -13.75675509
  H     18.23164799     12.50855352    -13.65238382
  H     17.03464881     12.59260369    -15.53628900
  O     14.62136395     15.31394524    -11.18428808
  H     12.32622097     12.66221840    -10.35360066
  H     17.54167728     11.13474848    -15.43988715
  O      9.35738956     10.11709146    -13.22127657
  H     11.88874963     13.19940803    -11.70172925
  H     12.20347146     10.90006253    -18.81502421
  O     15.28534377     13.37546447    -15.62737233
  H     10.64980577      9.79919770    -11.96019230
  H     13.26328383     10.96463083    -17.68846097
  O     14.91722413     10.94064529    -17.17654703
  H     11.47753834     10.88278450    -11.24573513
  H     15.17325476      9.10843232    -10.49258251
  O     10.75490588     13.50677802    -14.62698874
  H     12.47556235      9.63802098    -12.91006595
  H     16.42252425      8.20986995    -10.33941649
  O     12.82379948     14.09445156    -12.95343991
  H     12.31423862      9.95281345    -14.41866178
  H     14.55254061      8.76526361    -13.77988859
  O     12.75650517     13.74779159    -16.71687716
  H     15.27946677     15.16557937    -11.88750454
  H     15.69629932      8.53125643    -12.76979552
  O     14.42380579     11.93767334    -13.48485171
  H     14.74972692     16.20697617    -10.87534200
  H     17.37311357      8.69786819    -16.18345090
  O     17.77555876     12.05018407    -15.23836510
  H      9.81201708     10.21443716    -14.06833047
  H     16.40338934      9.07676655    -15.03957379
  O     12.32755186     11.13602483    -17.89990240
  H      9.09814976     11.01001225    -12.96360688
  H     16.35706897     10.64178067    -11.26899054
  O     16.00913326      8.84446448    -10.91860144
  H     15.01754561     12.80504464    -14.88680175
  H     17.06346466     11.95303235    -11.77430276
  O     15.48098975      8.50199123    -13.70846357
  H     14.46494784     13.68321705    -16.03971737
  H      8.39829933     13.27689126    -11.85388145
  O     16.88623884      9.42733638    -15.80939878
  H     15.55053089     10.33002449    -16.78203991
  H      9.86571033     12.82760480    -11.70941020
  O     16.24653269     11.59093808    -11.40869045
  H     15.09408001     11.79783722    -16.77247055
  H     17.07047952     14.22301685    -13.05761384
  O      9.11958384     12.86895757    -12.32794181
  H     10.02774358     13.39268123    -14.00507649
  H     15.98329674     14.53013368    -14.10845005
  O     16.32110562     14.80067647    -13.24752112
  H     11.49725389     13.82683684    -14.09022316
  H     14.28653353     13.66893022    -10.13514102
  O     14.19336956     12.73739661     -9.90126829
  H     13.39525743     13.33542213    -13.15282966
  H     14.93609475     12.31270485    -10.35654215
          69
 Energy    -248.00682348403288     
  O     18.64762298      8.72691518    -12.34057206
  H     18.96392142      7.95085196    -11.85688553
  H     13.86468354     10.45092405    -12.72863178
  O     12.45764099      7.91563844    -10.63958346
  H     18.26228750      8.41135815    -13.16918021
  H     18.57689915      3.62630965    -12.10096012
  O     18.84263249     11.16248107    -10.98430445
  H     12.31048771      8.48401714    -11.40464029
  H     17.34750891      3.90992561    -11.20962551
  O     12.24714663      9.55767102    -13.00708780
  H     12.75682672      8.49552950     -9.92463020
  H     15.27617809      7.40566436    -11.28890527
  O     17.27665506      7.78868787    -14.57003972
  H     18.14224746     11.72040360    -11.34802339
  H     13.85538010      6.87233880    -11.03551778
  O     19.27239691      6.46518642    -10.88760979
  H     18.91126172     10.39093540    -11.56257680
  H     21.00229520      4.19086190    -12.98869002
  O     19.51669103      7.58184884     -8.32497226
  H     11.39029128      9.84497348    -13.31147602
  H     19.71290772      4.86907572    -13.51301036
  O     16.84786434      5.30920050    -10.07615899
  H     12.63179991      9.02120553    -13.72356056
  H     17.93510937      4.75804587    -14.83172431
  O     13.54557111      8.21314116    -14.98117557
  H     16.87218714      8.59142440    -14.92001529
  H     18.33256350      6.24712289    -14.87548008
  O     16.68296867     12.64520318    -12.01514738
  H     16.54109286      7.20621655    -14.32798995
  H     17.05511416      8.89712442    -11.49972295
  O     15.75166897     10.06689875    -15.22034989
  H     19.71281150      5.82666423    -11.46235393
  H     16.22469358      9.04160877    -10.17865041
  O     14.79441902     10.70584491    -12.69373681
  H     18.41545362      6.08168338    -10.65102291
  H     18.83696488     10.68087654     -9.34467739
  O     17.66651789      3.35374822    -11.93303480
  H     19.60986333      7.23710284     -9.22405747
  H     19.24318121     10.99972666     -7.88691604
  O     14.74497088      6.59454468    -11.29605555
  H     19.40571468      8.53768114     -8.39918077
  H     17.10062362      9.62664062     -8.28546605
  O     20.16747503      4.55628732    -12.70975808
  H     16.86616047      5.60951946     -9.16008120
  H     16.47144212      8.22852413     -8.03130085
  O     18.69567662      5.35286888    -14.84325550
  H     16.04494020      5.67378533    -10.47701580
  H     14.93242926      6.20303977    -13.02641509
  O     16.16094881      8.92897436    -11.13506698
  H     14.24125516      8.81227245    -15.27573729
  H     15.45697841      5.23585516    -14.13267280
  O     18.79458229     10.35493001     -8.42696087
  H     13.99654713      7.40155690    -14.70956638
  H     17.17520298      6.14209825     -6.67871773
  O     16.27987395      9.11986576     -8.35134817
  H     16.28216256     13.48026641    -11.78486279
  H     18.05355751      6.86438812     -7.73346672
  O     15.12095401      6.12585993    -13.97345027
  H     15.94947662     12.05470522    -12.24386777
  H     14.46651993      9.46375005     -8.45887294
  O     17.15097713      6.54878717     -7.54066534
  H     15.96396933     10.86172187    -15.70320431
  H     13.16738781      9.97700576     -7.82673587
  O     13.51614623      9.56579028     -8.61441411
  H     15.45408785     10.34819829    -14.33929348
  H     16.15404960      2.82878704    -14.67961722
  O     16.42384978      3.67039600    -14.32251543
  H     15.23454716     10.07441930    -12.10271893
  H     16.81118754      3.49434714    -13.44612909
          69
 Energy    -248.00671728954316     
  O     -1.00612199     -2.16102012      0.11430737
  H     -1.00962246     -1.23367594      0.39466035
  H     -3.02678732     -5.33827989      1.79793616
  O     -2.86617860     -1.22694056      7.55402492
  H     -1.92036260     -2.40688643     -0.07489973
  H      0.07290775     -6.31344451      1.18075674
  O      1.55709658     -0.37581446      2.66202094
  H     -3.42807128     -2.01152082      7.56015349
  H     -0.19820591     -7.30430949      0.02443074
  O     -2.84647127     -0.02817231      3.30300382
  H     -1.96497465     -1.54818280      7.41858014
  H      2.61167507     -1.71634140      3.63198925
  O      2.08452966     -3.59162808      6.34325971
  H      1.43113310     -0.95967593      1.91224072
  H      2.99884426     -3.12854621      3.16840455
  O     -4.53267886     -3.53023924      7.09706675
  H      0.84326155     -0.59217262      3.28534017
  H     -0.66448136     -3.02441812      1.67874937
  O     -0.43127749     -2.36504657      6.72799496
  H     -3.26142215      0.28402367      4.11716507
  H      0.04544018     -4.14390097      2.52608079
  O      0.42647661     -5.65968405      5.28292975
  H     -3.35007123     -0.80232667      3.01158958
  H     -2.00353992     -4.12205771      3.14982308
  O     -5.46369980     -1.92686670      5.09833092
  H      2.84988410     -3.67926622      6.90540450
  H     -2.66693321     -4.64170037      4.43552802
  O     -0.97854319      0.36280230      1.21328935
  H      2.39676549     -3.20850694      5.50452677
  H      3.85204193     -4.37492827      1.18545614
  O      0.93124038     -5.79440093      2.62324544
  H     -4.91723870     -3.02445474      6.35918584
  H      2.37124450     -4.05676612      0.88036287
  O     -3.00033666     -5.45133576      0.83804909
  H     -5.26377464     -3.87043584      7.60590782
  H     -4.19722403     -2.45895917      1.61933619
  O     -0.36561601     -6.41165720      0.31721196
  H     -0.46427115     -1.88331876      5.88615596
  H     -3.80719970     -3.11062220      2.96313670
  O      2.90716141     -2.57546847      3.95373275
  H      0.45475774     -2.74123202      6.77790156
  H     -0.49762467     -2.04109546      3.71822291
  O     -0.51491572     -3.36121182      2.57254322
  H     -0.45951168     -5.47884804      5.61872703
  H     -1.34490118     -0.76853921      3.99453861
  O     -2.81844079     -4.52227150      3.49056858
  H      1.01237832     -5.02156474      5.70954619
  H      0.40656305     -3.28896569     -0.34135552
  O      3.01446366     -4.18341398      1.60036323
  H     -5.12430497     -1.04965859      5.31560185
  H      0.57639301     -4.81852489     -0.27829842
  O     -4.23667375     -2.33345970      2.57390983
  H     -5.22201295     -2.07978715      4.17633166
  H     -3.56964936     -0.07157483      6.45005301
  O     -0.53860472     -1.23279599      4.25426208
  H     -0.15365914      0.54773096      1.67024752
  H     -4.33871438      1.25486013      6.24455002
  O      1.07110868     -3.99008708     -0.30848793
  H     -1.66813381      0.37418186      1.89249966
  H     -1.51730880     -3.81501741      6.37540802
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  H      1.78892390     -5.39210307      2.44231865
  H     -2.94432673     -4.36492597      6.56702466
  O     -2.08510239     -4.57456364      6.17940152
  H      0.79016417     -5.83484893      3.58234097
  H     -4.26678216     -3.08715471     -0.88853479
  O     -3.68213199     -3.03162284     -0.13752421
  H     -2.13523203     -5.82281338      0.62745077
  H     -3.48749627     -3.94591634      0.14049481
          69
 Energy    -248.00669016678316     
  O      1.27798663      1.94622974      3.12887216
  H      1.99830887      2.48270213      3.44925891
  H     -5.26415097      1.77814579      2.02552595
  O     -0.87755088     -2.19080751     -3.27688362
  H      0.96916330      1.41157691      3.88333368
  H     -2.10968830      1.26265027      7.58824115
  O      0.31397199      0.48411627      5.20378818
  H     -0.32416683     -2.83588711     -2.81943634
  H     -2.60663634      0.75131214      6.21509438
  O     -2.49144859     -1.35500026     -1.12737747
  H     -1.59901753     -1.98457739     -2.66623581
  H     -3.40403488      2.34617745      0.40002036
  O      0.89558307     -3.70812653     -1.57606205
  H     -0.40883519      0.84239204      5.73378094
  H     -2.01491452      2.08399732     -0.25678258
  O      2.07827469     -1.26961351     -1.29344474
  H      0.18945485     -0.47201961      5.19032368
  H     -3.45655760     -0.57515391      1.60865967
  O     -5.36677811      1.76272180      3.85554320
  H     -1.91720753     -0.57929970     -1.04929517
  H     -4.71298915     -0.06677764      0.89848808
  O     -3.03554342     -2.74269029      4.71540301
  H     -3.21242507     -1.21793054     -0.49946490
  H     -2.62580430     -0.07912434      3.65217963
  O     -1.41266945      2.72851984      2.72292610
  H      1.54497138     -4.36623268     -1.80844265
  H     -1.93889765      0.96772519      2.73730719
  O      0.55175192      0.12274857     -3.29034906
  H      1.37879844     -2.87411507     -1.43574381
  H     -0.49667135     -3.69391752     -0.31983649
  O     -3.68189541     -0.19509139      5.22096516
  H      1.72026845     -0.73611184     -2.01382282
  H     -1.70269551     -2.73553276     -0.26111641
  O     -5.20174403      1.75254609      1.05732819
  H      1.91377307     -0.76525764     -0.48594020
  H      0.73976420     -0.59546671      1.42080456
  O     -1.97869887      1.35754554      6.64817532
  H     -6.13886194      2.04126674      4.34223523
  H      1.31513232      0.82106528      1.63924372
  O     -2.52983230      2.72367574      0.25448534
  H     -4.62325806      2.30270260      4.18229643
  H     -2.56691855      3.13086346      4.04118488
  O     -4.16925104     -0.85406898      1.01265032
  H     -2.08188935     -2.73140645      4.85169017
  H     -2.77509803      2.70816947      5.50484941
  O     -2.22852396      0.04769434      2.78239469
  H     -3.19006981     -3.07128227      3.81710548
  H     -0.35131646      0.76745044     -1.77863185
  O     -1.23516354     -3.42217837      0.23837504
  H     -0.45656459      2.61392320      2.74151695
  H     -0.13613946      0.65925896     -0.24727927
  O      1.15034786      0.15345377      0.96333033
  H     -1.71056914      2.86018582      1.80915067
  H     -0.09448612     -2.25103655      3.94857959
  O     -3.21521426      3.13644448      4.76170669
  H      0.03359058     -0.69479191     -3.40266380
  H      0.47213098     -3.03573429      5.15435665
  O     -0.79892012      0.84672121     -0.92668898
  H      0.70750008      0.47447724     -4.16222861
  H     -0.58540317     -2.43753386      1.58969220
  O     -0.14384223     -2.34696200      4.91587974
  H     -4.42745450      0.17740186      4.74131525
  H     -0.99147989     -1.17866018      2.42773441
  O     -0.27478488     -1.81053403      2.25642664
  H     -3.62563972     -1.15469255      5.07853972
  H     -3.90291255     -2.65212289      1.66912577
  O     -3.47017749     -3.42299746      2.05772969
  H     -5.93845349      2.25887182      0.72266450
  H     -2.74846549     -3.64553612      1.45807201
          69
 Energy    -248.00668957686901     
  O      4.64803710     -3.83307627      3.38278474
  H      4.35930513     -4.18086309      2.52971495
  H      2.37267334     -4.18177147      5.00260903
  O     -0.35951047     -7.33035371      2.42103101
  H      3.86852230     -3.43089507      3.78147460
  H      0.38282453     -3.95374420      2.01775883
  O      0.35767369     -6.60085772      6.16436817
  H     -0.58707070     -8.21532182      2.73562276
  H      1.53174587     -3.32493530      2.83131772
  O      3.87310734     -8.24869892     -1.44020492
  H      0.55263770     -7.15400879      2.69472047
  H     -0.21728324     -7.26883008      0.63403763
  O     -1.72157598     -4.73143174     -0.50896019
  H     -0.14212007     -5.87303474      5.78224171
  H     -0.79139977     -6.44115233     -0.52905671
  O     -0.78105197     -4.16094212      4.96002171
  H      1.28319194     -6.31462461      6.14232581
  H     -1.03104369     -5.71933215      2.40154934
  O      5.67598789     -5.83487813      4.95702657
  H      4.38762223     -7.98412921     -0.65543596
  H     -1.59985209     -4.68434363      1.40127820
  O      1.53819351     -9.43557280     -0.33735946
  H      4.49745010     -8.57086497     -2.08423780
  H      1.58840422    -10.43214665      1.07082373
  O      5.47479744     -8.20672963      3.31716112
  H     -2.39208674     -4.42091459     -1.11138251
  H      1.71688801    -11.87564190      1.60834609
  O      0.87537633     -9.24131762      5.73212426
  H     -0.90424946     -4.24619602     -0.72207025
  H      2.74481059     -6.41585604      2.34834754
  O      2.23283416     -5.96659357     -1.20563967
  H     -1.51302302     -3.71186634      5.37744947
  H      2.63475744     -7.76248855      3.15630559
  O      1.96962570     -3.39315415      4.61041293
  H     -1.05247463     -4.33478191      4.04444376
  H      0.07860767    -10.35344115      2.84495125
  O      1.23588278     -3.50779501      1.92940808
  H      6.49335978     -5.57386397      5.37365102
  H     -0.18018631     -9.75056615      4.23825291
  O     -0.14729279     -7.12740739     -0.32227553
  H      5.40856232     -5.09764544      4.38064437
  H      2.59625578    -10.03047297      3.14258099
  O     -1.26257496     -4.78129788      2.29922533
  H      0.87132828     -8.74907671     -0.45546755
  H      2.34208475     -9.40434943      4.53903814
  O      1.62062369    -10.96780289      1.88361431
  H      2.34795388     -9.10257661     -0.74400827
  H      4.77029938     -6.43066114      0.91737573
  O      2.26539897     -6.87501599      3.04628544
  H      5.56338819     -7.47255866      3.93620718
  H      5.33350968     -7.68824759      1.60977191
  O     -0.58185491     -9.88336711      3.36959001
  H      4.72279662     -8.73622366      3.61189994
  H      3.07124731     -5.38497097      0.27672949
  O      2.97443915     -9.44123983      3.80950629
  H      0.81515786     -9.67504790      6.57972761
  H      2.62872014     -4.49886565      1.45138698
  O      5.13423419     -7.30398796      0.74310062
  H      0.62249541     -8.31352628      5.88062903
  H      2.66402769     -6.20363450      4.65800534
  O      3.35070822     -5.07104634      1.14854739
  H      2.81178102     -6.68807929     -1.47995327
  H      3.89064138     -5.90191938      5.54726500
  O      2.92917747     -5.84540110      5.52105364
  H      1.40926270     -6.37932462     -0.90390877
  H      1.32310351     -4.25301132     -1.17359985
  O      0.70748484     -3.56611588     -0.88669496
  H      1.03191472     -3.47278413      4.82798646
  H      0.98068874     -3.31893708      0.00603166
          69
 Energy    -248.00654574890495     
  O     12.66858785     10.61875036    -15.61721734
  H     13.24503482     10.01469672    -16.09918642
  H     15.64794959      5.51634337    -14.70579061
  O     15.71453364      6.38359444    -13.01692269
  H     13.19828153     11.40709944    -15.44632607
  H     19.31172295      7.62889983    -13.96177082
  O     17.28191662     10.46693843    -11.25938829
  H     14.87137786      6.47948580    -12.55314171
  H     20.44507723      7.02233117    -13.10523655
  O     18.77005824     10.86658599    -15.80508413
  H     16.38916425      6.72956356    -12.41782208
  H     15.68974660     10.45775150    -17.01316472
  O     13.03177950      6.52745334    -16.36021076
  H     17.09190436     10.81514547    -10.37703571
  H     17.01438297     11.09337696    -16.49638174
  O     14.30190957      9.58244156     -9.02827937
  H     16.54047307     10.71026632    -11.83127148
  H     15.84496899      7.88242657    -13.98159589
  O     13.47938393      6.94318659    -11.47837429
  H     19.45664949     11.41720721    -16.17372881
  H     16.98155301      8.55856803    -14.77811253
  O     15.21596924     10.87145136    -13.03842938
  H     18.93731684     10.81669155    -14.84631005
  H     11.65249977     10.03833169    -14.34385397
  O     16.92349585      6.98840412    -17.32704758
  H     12.64100543      6.66509291    -15.47880969
  H     10.25432905     10.03542675    -13.67704868
  O     15.48230872      6.97860056     -9.44922132
  H     12.38483293      6.05284618    -16.87581715
  H     12.40590135      6.78472495    -13.05633041
  O     18.63613332      8.08181824    -15.53201472
  H     13.79175227      9.70056147     -9.84012712
  H     11.60848622      7.86896124    -13.80536996
  O     15.53645724      5.29692384    -15.63961336
  H     14.66530024      8.68992658     -9.06969247
  H     18.64969930     10.58652615    -12.46943954
  O     19.65372886      7.55256205    -13.05391792
  H     13.35024658      7.90316231    -11.52505470
  H     19.59405108      9.53364691    -13.06345620
  O     16.12458853     11.29469698    -16.81337195
  H     14.01948773      6.79186497    -10.69361021
  H     17.37658773      8.65654278    -11.21973170
  O     16.08316123      8.69199052    -14.45378271
  H     15.00090338     11.58857397    -13.64528808
  H     18.28969691      7.53785065    -11.76299548
  O     11.13576705      9.68090939    -13.59905555
  H     15.52542284     10.12597727    -13.57675109
  H     16.32095215     11.90309657     -8.08037732
  O     11.99550654      6.98982006    -13.90467330
  H     16.52686433      6.28478643    -16.78788061
  H     15.63712582     10.72514470     -8.79828466
  O     19.29471683     10.44259567    -13.17596457
  H     16.20852456      7.61035117    -17.48609846
  H     12.36275064      9.76929417    -12.18761116
  O     17.48549469      7.69380727    -11.25246218
  H     16.24768810      7.19427177    -10.00624168
  H     13.85860372     10.15058411    -12.08246504
  O     16.43580795     11.28038510     -8.79228940
  H     15.79866619      6.38951789     -8.76837015
  H     14.57160449     13.61586325    -15.25973700
  O     13.13784307      9.70259106    -11.61684896
  H     18.79602270      8.99573857    -15.79944182
  H     15.15749200     12.26851349    -15.75265356
  O     14.56382562     12.67711464    -15.09623574
  H     18.14245036      7.63981970    -16.24020913
  H     14.02465659      8.03957836    -16.77882364
  O     14.60668995      8.81192393    -16.77605713
  H     14.64647693      5.58875128    -15.87265856
  H     15.10460471      8.76001960    -15.94378773
          69
 Energy    -248.00629691914367     
  O     14.09528426      9.26082056    -10.65984904
  H     13.90940645      9.86115889    -11.39707017
  H     12.85835499      6.69964791    -10.09405843
  O     16.55817559     11.01849698    -13.31638175
  H     13.34472670      8.66169144    -10.57165455
  H     18.95471107      8.57514123    -14.71362933
  O     14.10436419      4.77415252    -14.05064864
  H     15.62079161     10.92695385    -13.09519098
  H     19.30457306      7.15149047    -14.23650334
  O     16.48300747      7.09934108     -8.15363341
  H     17.04400062     11.08534289    -12.48667631
  H     13.96724354     13.11742390    -14.55184577
  O     15.49258263     12.68211405    -15.38666946
  H     13.40983036      5.41495552    -13.80789063
  H     12.96654458     14.08250246    -13.88969394
  O     15.96139097      7.54739582    -11.86704682
  H     13.69041736      4.09676919    -14.57796321
  H     13.96113192      9.34776523    -15.70252138
  O     13.78881635     10.72527545    -12.91385849
  H     16.61239985      7.09211649     -7.20821961
  H     14.38221206      8.17025542    -14.81384200
  O     18.60022941      8.39518937    -11.58288056
  H     16.43573189      8.03528589     -8.41835007
  H     15.27450087     10.18008979    -17.86682280
  O     18.01338950     10.93545491    -10.87205976
  H     15.32548393     11.97572228    -16.02217753
  H     15.94611375      9.91641804    -16.49930046
  O     18.38845049      5.55105677    -14.23887199
  H     16.02724101     12.27766075    -14.69081020
  H     12.57502020      7.54900655    -13.86310528
  O     18.16454127      4.20063425    -11.70845013
  H     15.78186320      6.64013225    -11.58735744
  H     12.28234927      6.96485902    -12.44746539
  O     12.18603043      7.22117928    -10.57027913
  H     15.33322085      8.12950808    -11.42153033
  H     14.92933314      6.28824954     -8.89041746
  O     19.54366567      8.08479102    -14.13018834
  H     13.46139948     11.58517605    -13.21394696
  H     14.59267503      5.32155353    -10.04626476
  O     13.16851675     13.15738236    -13.99853311
  H     13.66153453     10.09085468    -13.63204304
  H     16.35746044      4.45072667    -11.63545085
  O     13.67913463      8.82014327    -14.94448988
  H     19.03081568      8.30743491    -12.44621463
  H     15.00722828      4.63449131    -12.40409493
  O     15.14353292     10.26383543    -16.92549872
  H     17.68278707      8.10014936    -11.68452726
  H     17.86619858      6.41886980     -9.26558148
  O     12.39220075      6.73605977    -13.37901829
  H     18.33657605     10.04232248    -11.08979003
  H     18.75050509      6.96329800    -10.40649231
  O     14.19424385      5.88032261     -9.36397289
  H     18.78002921     11.46259733    -10.66119005
  H     15.26409979      6.14501086    -14.51423453
  O     15.45173758      4.77988709    -11.56030432
  H     18.34192125      5.06680745    -13.40521523
  H     15.88418891      7.21596492    -13.57254795
  O     18.54386616      6.16375666     -9.90305205
  H     17.50416814      5.89753705    -14.39669970
  H     15.41394410      9.63433570     -9.47645234
  O     15.80564124      6.94489303    -14.50335272
  H     18.36015579      4.87381303    -11.03072803
  H     16.84886538     10.19369055     -9.51585234
  O     16.24335886      9.67280131     -8.97750648
  H     18.71875051      3.44848523    -11.51852163
  H     16.79928167      8.39878268    -15.14442805
  O     17.18386345      9.25486759    -15.37587242
  H     11.37463566      7.14420277    -10.07521869
  H     17.03744416      9.84745578    -14.62118674
          69
 Energy    -248.00627553862782     
  O     13.79384689     11.76361608    -11.14230356
  H     13.48361443     11.20684602    -10.41357764
  H     10.61539363      9.35852327    -10.62292180
  O     15.55284749     10.83427845     -7.97646859
  H     14.71518620     11.95281175    -10.94499809
  H     13.88098224     10.23190691    -14.49612453
  O     17.80640542      7.69013084    -11.36870286
  H     15.90033186     11.30588945     -8.74049816
  H     15.22399870      9.74129824    -13.95838927
  O     15.67419954      4.80799617    -11.18165271
  H     14.62298830     10.66192254     -8.18061362
  H     17.34875544     11.14135789    -10.29038405
  O     18.47020908      9.91529874     -9.81887922
  H     17.74286191      7.04941480    -12.08796552
  H     17.09685553     12.58266863    -10.77965624
  O     17.29244501      8.80513344     -7.46471224
  H     17.29528863      7.33671420    -10.62451970
  H     16.70833251      7.35116623     -8.52651542
  O     10.86392399      5.26355663    -11.05336492
  H     16.20580821      5.10734716    -11.92991564
  H     15.35504380      6.96800055     -9.15598258
  O     13.06278224     10.11820976     -8.99423579
  H     15.93278173      5.34794955    -10.42582982
  H     11.52260513      9.92471925    -12.86858319
  O     13.67290464      7.86034507    -11.93430630
  H     18.23357524      9.55402122     -8.95530078
  H     12.10398779      8.69216088    -12.15826273
  O     13.22719100      3.90874396    -11.86904624
  H     18.45466738      9.16287700    -10.42637869
  H     13.07444528      5.10774965    -13.27655336
  O     15.30609593      7.00245733    -14.91550034
  H     17.56988722      8.81897415     -6.55256944
  H     12.07282576      6.13186072    -13.87493468
  O     10.48760210      9.41628157     -9.66712676
  H     16.62484375      9.50747626     -7.56527596
  H      9.55436622      6.84981762    -13.96560618
  O     14.65724474      9.71898764    -14.74302642
  H     11.66189073      4.76491859    -11.27013326
  H     10.56840738      7.65107930    -13.11449455
  O     16.64950567     11.77555588    -10.53613238
  H     10.59544189      5.71590239    -11.86175272
  H     10.47590798      6.26105493     -8.08342740
  O     16.30668819      6.78559832     -9.19721721
  H     13.37767716      9.20541765     -9.04169689
  H     10.85851302      6.15717283     -9.57988393
  O     11.26779954      9.11662548    -12.40673382
  H     12.10455927     10.05638755     -9.11196133
  H     16.54512767      6.29149269    -13.95322705
  O     13.00120598      5.86843546    -13.86795373
  H     13.62228226      7.19882493    -12.63378620
  H     17.76752043      5.34515242    -13.94206950
  O     10.34519131      6.76211898    -13.44015871
  H     14.42653523      8.43854780    -12.11210915
  H     12.99442809     11.53328638    -12.68902614
  O     10.94354297      6.71008165     -8.78237824
  H     14.09595418      4.21897064    -11.55634282
  H     12.24794936     12.18366200    -13.87468638
  O     17.19334432      5.85145856    -13.37373390
  H     13.27992679      2.95783818    -11.91939832
  H     12.75719853      7.08461207     -8.98958495
  O     12.52997814     11.34283711    -13.52388212
  H     14.47533437      6.54184275    -14.73729317
  H     13.61825516      7.47028660    -10.22906539
  O     13.63396523      7.38048162     -9.26206395
  H     15.08226119      7.93979715    -14.99636736
  H     16.62361149      8.89059143    -12.01127432
  O     15.92149748      9.50339221    -12.26877828
  H     10.52066669      8.50808171     -9.34067712
  H     16.03068960     10.29375839    -11.73300583
          69
 Energy    -248.00584316126623     
  O     -5.89980988      0.35873441      1.40841645
  H     -5.51025806      1.23589736      1.29003770
  H      1.14427173      2.64690290      2.19473019
  O     -7.01982105      2.10900101     -2.47346541
  H     -5.69620740      0.07258782      2.30790897
  H     -0.44137689      4.25628994      2.69159269
  O     -4.99368915     -0.47604978      3.91783946
  H     -7.57230145      2.77437287     -2.87647721
  H     -1.95255088      4.62728810      2.67037472
  O      0.41394598     -0.49797748      0.24998916
  H     -6.17890639      2.54238999     -2.25184864
  H     -4.67170310      2.95089559     -0.01641228
  O     -2.10418789     -0.39922643     -1.01044889
  H     -4.46702049      0.30258052      4.17550995
  H     -3.70778843      2.30506283      0.99296507
  O     -5.59956951     -0.10328190     -3.63701832
  H     -5.45201041     -0.76954439      4.70054247
  H     -0.78235973      4.25074581      0.66201555
  O     -4.43795310     -1.53898697     -0.04550477
  H      0.20000141     -0.97971961      1.05829131
  H      0.15822873      3.26112639     -0.10506443
  O     -3.15657372      0.96092390     -3.21936205
  H     -0.37121046     -0.57017544     -0.30880641
  H     -7.09591617     -2.87822034     -1.99202235
  O     -4.50964694      3.06417490     -1.87625905
  H     -2.87953034     -0.88625026     -0.69701067
  H     -7.04033759     -1.43310695     -1.43474164
  O      1.48223649      2.01827996      0.35687512
  H     -2.37219232      0.05140196     -1.82113764
  H     -1.44528514      1.13258655      2.48881148
  O     -0.50007034     -1.79422059      2.63644651
  H     -6.19135361      0.60817086     -3.36181088
  H     -0.80698935     -0.05193462      3.24908018
  O      0.77210375      2.92809228      3.03857676
  H     -5.87336877     -0.88371615     -3.13918417
  H     -3.58904107     -2.09420858      1.53922511
  O     -1.10007542      4.83267616      2.27303999
  H     -4.91891387     -0.84876518      0.43445665
  H     -3.75925276     -1.61446480      2.99238298
  O     -4.57234864      2.74416780      0.92031240
  H     -5.05851042     -1.89998363     -0.68868750
  H     -2.07797497      0.90294471      0.24839661
  O     -0.65869697      3.77016308     -0.17518667
  H     -3.99052430      0.50702156     -3.43736036
  H     -1.61236854      2.36791706      0.51228614
  O     -6.51596485     -2.13202614     -1.86823123
  H     -2.72738099      1.17028927     -4.04522673
  H     -4.38381980      4.88158458      3.40329527
  O     -1.09196855      0.86309325      3.35128428
  H     -4.01744595      2.33523692     -2.27625490
  H     -4.16693775      3.76005172      2.36404304
  O     -3.17888977     -2.12237193      2.41271551
  H     -3.90667594      3.82287081     -1.88168505
  H     -7.58097979      0.76286722     -1.22954678
  O     -2.11505710      1.63018437      0.88329872
  H      2.38360902      1.95526773      0.05159781
  H     -7.21298627      0.13498307      0.13414392
  O     -3.80024859      4.16391386      3.16746268
  H      1.11837181      1.11615422      0.32662514
  H     -3.59063431      2.55042277      4.17902796
  O     -7.71743164     -0.01692826     -0.67778089
  H     -0.12925478     -2.54322206      3.09501988
  H     -2.58174222      1.38352284      4.24742607
  O     -3.47122551      1.65610636      4.51701664
  H     -1.45482095     -1.96619905      2.54543016
  H     -1.83654884      4.53281727     -1.27421961
  O     -2.54878028      4.94909990     -1.78757843
  H      0.20509043      2.19584762      3.31757108
  H     -2.36568292      5.88499254     -1.77455355
          69
 Energy    -248.00583622449682     
  O     -1.22516372      4.29851329     -2.17730650
  H     -1.29013189      3.73048259     -1.39491953
  H     -1.43267729      0.84374361      2.97720839
  O      3.12759226      1.83938806      4.16580493
  H     -1.55649389      5.15986295     -1.89954396
  H      0.30770667      5.25976888      0.82957144
  O     -1.43833474      2.78303307      0.20426302
  H      2.73625073      0.94774615      4.12065213
  H     -0.53397407      5.83879596      1.98338697
  O      0.94019087      0.95981657     -2.05250601
  H      3.81209835      1.81088829      4.82802719
  H     -3.55691959      2.37889137     -2.81478080
  O      0.24969693     -0.34372106      0.40074742
  H     -1.96239238      1.98683888      0.06197578
  H     -2.22374417      3.07811635     -3.13191733
  O      0.88241542      3.23105616      3.31945176
  H     -1.93270037      3.30661082      0.84833518
  H     -1.18012791     -0.96910182     -0.60793243
  O      1.55169185      3.64908608     -2.05860155
  H      0.25268152      0.65835780     -2.65856393
  H     -1.77156106     -0.78941530     -2.02521509
  O     -4.27008946      4.79664873     -0.06858255
  H      0.72004787      0.57160992     -1.19732123
  H     -3.17102642      3.00013357      2.61875704
  O      3.32926040      1.62609712      1.29106074
  H      1.11660445     -0.72639120      0.58564634
  H     -2.42452832      4.34897489      2.87094161
  O      1.89404964     -0.54253662      3.77123309
  H     -0.04355132      0.06892263      1.22265674
  H     -3.93073448      0.61892277      3.32156299
  O     -2.17925028      6.59386127     -0.82669874
  H      1.66965979      2.84956965      3.72916659
  H     -3.39676381      0.94677446      1.90453535
  O     -0.47468004      0.75404081      2.91315463
  H      1.08738941      3.37317834      2.38264849
  H     -1.84526450      0.88413333     -3.58046359
  O     -0.30461124      5.96872065      1.05611467
  H      1.45049652      2.68658040     -2.14333962
  H     -1.28918228     -0.20667872     -4.52449941
  O     -2.78221205      2.33032709     -3.38607508
  H      0.68943897      4.01219851     -2.29655627
  H     -4.00686949      1.29369947     -0.40939305
  O     -1.98999362     -1.07150897     -1.12771294
  H     -3.65003746      5.46749490     -0.37873884
  H     -3.03234683      0.05815970     -0.31189414
  O     -3.02994410      3.89169583      2.27457881
  H     -3.97475764      4.55669913      0.82022070
  H     -4.68808413      3.37936281     -0.99341496
  O     -3.28086141      1.13691091      2.85403042
  H      3.39877593      1.81146044      2.23544733
  H     -5.81052852      2.57783858     -1.69258193
  O     -1.28933534      0.08531997     -3.61715485
  H      2.66989863      2.23614912      0.94215073
  H      0.30787144      3.09007268      0.49245110
  O     -3.44426093      0.78238436      0.18470113
  H      2.24847807     -0.89963404      2.94659194
  H      1.49874900      3.64347803     -0.31181827
  O     -4.88744203      2.54537756     -1.45534511
  H      0.99169490     -0.25934114      3.56968568
  H      3.09410449     -0.10103792      1.10154053
  O      1.18887240      3.48342673      0.59374715
  H     -2.13808893      7.52235656     -1.03969981
  H      3.52090608     -1.50880907      0.61922509
  O      2.86272898     -1.04740888      1.13157295
  H     -1.50518766      6.43291946     -0.14294126
  H     -0.88061535      5.62930985      4.55677936
  O     -0.98815597      5.15536205      3.73638517
  H     -0.09660884      1.62833189      3.07117049
  H     -0.29708990      4.47085545      3.70962888
          69
 Energy    -248.00560577401086     
  O     -5.94398190      0.27880038     -0.28272987
  H     -5.55219217      1.16191274     -0.34776191
  H     -0.91440737      3.70482885      4.97213646
  O     -4.57409464      1.41835759     -4.52020123
  H     -6.06934768      0.11877706      0.66171623
  H     -1.18020137      4.46323631      1.00770235
  O     -5.89788372     -0.11501242      2.51190417
  H     -5.21416560      0.88690358     -4.01372485
  H     -1.37047101      4.51148071      2.53782269
  O      0.18107994     -0.92863994      0.67185952
  H     -4.94532493      1.54016688     -5.39003882
  H     -4.74600108      3.42031969      0.35917669
  O     -2.00435480     -0.75422879     -1.00518143
  H     -5.49690363      0.71729123      2.82001277
  H     -3.79240655      2.28270598     -0.04233816
  O     -2.48299918     -0.34014916     -3.73774090
  H     -6.61341816     -0.31129241      3.11130670
  H     -0.49364305      3.66893070     -1.22615927
  O     -4.40988289     -2.03982510     -0.50046524
  H      0.71353208     -0.20943381      0.31569356
  H      0.42145339      2.75215865     -0.37560943
  O     -3.65106942      3.44914411     -2.80937639
  H     -0.53963870     -1.03312516      0.03323857
  H     -4.45618942     -3.38120127     -3.45395136
  O      1.39923672      1.20033514     -0.85293433
  H     -2.80422884     -1.24146177     -0.76959788
  H     -4.34420928     -2.46585553     -2.21379867
  O     -0.08434922      1.15813229     -3.15219072
  H     -2.07671387     -0.53446225     -1.94159889
  H     -1.70532608      0.38126366      3.25431218
  O     -1.16834865     -1.37054835      2.98732097
  H     -2.99861176     -1.15529119     -3.68375677
  H     -2.09786155      1.43107423      2.19197860
  O     -0.80650661      3.62165576      4.02790021
  H     -3.10479021      0.33534105     -4.03861550
  H     -2.96408883     -1.84902043      2.47096387
  O     -1.75474303      4.80892133      1.70032711
  H     -4.95760957     -1.24160734     -0.47705145
  H     -4.45430671     -1.41194758      2.39719697
  O     -4.62486960      2.71713140     -0.28985385
  H     -4.19902442     -2.25121380      0.42133730
  H     -2.10423203      0.78519474     -0.07942284
  O     -0.27159686      3.42260340     -0.31770456
  H     -4.01934746      2.80736144     -3.42876621
  H     -1.56064922      2.23491455      0.15542889
  O     -4.32982068     -2.47433069     -3.18699997
  H     -4.05613989      3.26471104     -1.95191348
  H     -3.48465526      4.67741439      1.75558155
  O     -2.01614033      1.28747329      3.14780788
  H      2.32346417      1.18599624     -1.08955281
  H     -4.81896765      5.41498440      2.00903567
  O     -3.83352812     -2.10699399      2.14404465
  H      0.90045484      1.09455147     -1.68310699
  H     -5.66923723     -1.06214618     -3.15225772
  O     -2.24205002      1.60198007      0.41764629
  H     -0.40340261      2.06884090     -3.20747389
  H     -6.23688742     -0.05258178     -2.12303775
  O     -4.45033928      4.55790225      1.81418585
  H     -0.79620021      0.60165581     -3.48681534
  H     -3.74484356      1.85542815      3.41157758
  O     -6.14948939     -0.22921184     -3.06906492
  H     -0.63159277     -1.22558159      2.18739379
  H     -4.65530551      2.98751638      2.89098920
  O     -4.66782908      2.13833973      3.34731783
  H     -0.67674155     -1.97243866      3.53986012
  H     -1.97832342      3.74094799     -2.92897578
  O     -1.01069923      3.84437909     -2.98927544
  H     -1.17779621      2.75593921      3.79285513
  H     -0.84765947      4.59980747     -3.54704287
          69
 Energy    -248.00556022594185     
  O     12.87832032      9.94202087    -11.38580008
  H     12.35392549      9.14171317    -11.27156758
  H     14.29801377     14.65685678     -8.06573960
  O     12.79696525      7.13392262    -13.51041645
  H     12.32327500     10.60749658    -11.81132857
  H     10.12955326     12.65655480    -10.07405693
  O     11.44148630     12.02348727    -12.52784244
  H     12.19687742      7.21244061    -12.76112348
  H     11.41555027     13.07594876     -9.33528990
  O     14.12545530     10.76414918     -9.10067988
  H     12.56249010      7.83196991    -14.13615806
  H     11.20798515      8.93286473     -7.97598560
  O     14.19500533      6.78160722    -10.27416431
  H     11.17932529     12.45102515    -11.70247935
  H     12.55605909      8.18012536     -8.06150252
  O     12.47965726     15.21249073    -11.29200576
  H     12.24179673     12.47273463    -12.82976980
  H      9.98653665     10.66913133     -6.55903589
  O      9.00254560      8.84433413    -11.69122415
  H     13.62294043     10.47330946     -9.87859602
  H     11.08920825     11.23550548     -7.48250185
  O     13.81928339     13.37836020    -13.00858703
  H     14.38314367      9.96148835     -8.63197693
  H     14.47687309      7.67115330     -8.80111928
  O     14.85197405     14.69797351     -9.75295201
  H     14.72185863      6.82110190    -11.08194167
  H     15.03533231      7.75805437     -7.36046852
  O     11.39447416      7.59533675    -10.98699731
  H     13.27547282      6.81575791    -10.55649830
  H     15.11390284     11.80591727    -10.26966607
  O     15.41496337      7.01305983    -12.82551875
  H     12.03453244     16.05007109    -11.39582859
  H     15.75687752     11.46459280    -11.61486742
  O     13.87502615     14.57312170     -7.19383457
  H     11.84545763     14.61302056    -10.86562104
  H     12.89962301      9.92201013    -15.16129551
  O     10.86703793     13.28565250    -10.10390363
  H      9.30453550      9.26961053    -12.51517981
  H     12.27186381      9.09074810    -16.30158596
  O     11.63397111      8.14783521     -8.34166701
  H      8.12600650      8.50832382    -11.85923464
  H     10.41393616     10.86364007    -13.45031268
  O     10.42410860     10.53133199     -7.39564153
  H     14.42788185     13.00318280    -12.35547657
  H     10.68903488      9.72859589    -14.44677789
  O     14.49273406      8.21825485     -7.99479232
  H     13.41593590     14.14571957    -12.58420109
  H      9.09882257     10.37054600    -10.47571869
  O     15.51016309     12.21182969    -11.05451827
  H     15.24788684     13.94210722    -10.20218709
  H      9.49705279     10.82120909     -9.05184719
  O     12.25536091      9.21883681    -15.35641482
  H     14.09094118     14.95923905    -10.28622532
  H     14.68926425     10.63296119    -14.09390192
  O     10.01837389     10.07256761    -13.84567314
  H     10.52307750      7.91586091    -11.25732412
  H     14.03147197     11.99007861    -14.37635005
  O      9.17605148     11.14209914     -9.90412690
  H     11.43239361      7.71562952    -10.02264745
  H     15.61239684      8.90116867    -12.68419912
  O     14.11990173     11.09609424    -14.72478580
  H     14.49475410      7.01366462    -13.14856226
  H     14.50838194      9.84225626    -12.17016355
  O     15.38964264      9.83240685    -12.57760022
  H     15.88086353      6.34400337    -13.31944394
  H     13.00549287     11.85436426     -8.27343564
  O     12.33376047     12.42987380     -7.87729498
  H     14.40362361     15.09050906     -6.59306373
  H     12.80037212     13.19441241     -7.51196557
          69
 Energy    -248.00550409523049     
  O     21.39367870     11.81103296    -18.05149068
  H     22.07367963     11.47619712    -18.62957863
  H     18.24322250     11.93749591    -18.72437443
  O     15.58245338     17.07953418    -15.76486414
  H     21.68364565     12.69386639    -17.75809982
  H     14.21694318      9.75185337    -12.93185432
  O     21.97645601     14.89926456    -14.40344306
  H     15.59098835     16.61362227    -16.61529422
  H     15.70610408     10.17942138    -12.94951645
  O     15.32484066     12.88284243    -14.09893360
  H     15.17423198     17.92746986    -15.92906781
  H     21.15428421     16.60339781    -14.91618796
  O     17.29831677     11.03639096    -17.34546631
  H     21.32561544     14.19728230    -14.23671099
  H     19.79769073     17.33048934    -14.86585185
  O     17.30765170     10.31702824    -12.25917887
  H     22.64932015     14.81257308    -13.73245316
  H     16.91744042     13.00316087    -13.20154522
  O     16.38485906      9.08166326    -15.63773345
  H     15.51909410     13.00052623    -15.04027969
  H     17.63293648     13.96804280    -12.23948807
  O     22.05946750     14.27172831    -17.20123796
  H     15.04058405     11.97246019    -13.95601365
  H     19.29810523      9.64466283    -14.85492094
  O     19.97114194     16.08639482    -17.64769068
  H     16.78691128     11.83346450    -17.14978411
  H     19.53283049      8.28743099    -14.15614888
  O     14.88235029     15.54275318    -13.39979824
  H     16.88326091     10.30297874    -16.86954075
  H     14.90787552     15.81202076    -18.92731058
  O     20.03607774     12.96521028    -14.15868525
  H     17.55995616     11.24868703    -12.22979391
  H     16.40624389     15.56838568    -18.63111361
  O     18.81060754     12.55145837    -19.20781347
  H     17.93865612      9.87567851    -12.84245523
  H     17.78911891     16.56263720    -13.43276507
  O     14.87871804     10.18400517    -13.46503978
  H     17.19705610      8.89245721    -15.15265159
  H     17.20581396     17.05038290    -14.79100862
  O     20.67192010     17.35794349    -15.27634078
  H     15.75766852      9.39848903    -14.97637927
  H     16.24155608     15.71545523    -12.32839223
  O     17.71255168     13.10249545    -12.65661461
  H     22.18820587     14.48158307    -16.26946331
  H     16.94454925     16.17808286    -11.02645820
  O     18.91846541      9.01462021    -14.22048577
  H     21.42847959     14.92831938    -17.52651766
  H     20.38883216     11.13959967    -16.68660931
  O     15.53631464     15.72458840    -18.21589420
  H     20.27221268     16.72129228    -16.98296671
  H     18.86265226     10.99553051    -16.46776772
  O     18.02748765     16.85743484    -14.32081938
  H     19.41801069     15.46121876    -17.15425518
  H     18.32434007     15.35146823    -15.28919998
  O     17.10247066     15.76874736    -11.87289927
  H     14.88804573     14.60149813    -13.62746905
  H     19.05265658     13.98642512    -15.33647164
  O     19.72044720     10.93140646    -16.02079729
  H     14.98642725     16.02500723    -14.22788803
  H     18.67340848     15.66919228    -18.93101364
  O     18.45894887     14.56216567    -15.83193710
  H     19.97262635     12.20062068    -14.74769983
  H     18.19732291     14.26308928    -19.35120449
  O     17.92015995     15.18989785    -19.29907053
  H     19.26858162     12.95890295    -13.56874358
  H     15.73622841     14.09005588    -17.26171328
  O     16.12124972     13.44509830    -16.66028347
  H     19.70805952     12.33965958    -18.92969554
  H     16.98194531     13.81343803    -16.39834582
          69
 Energy    -248.00533573858112     
  O     12.24466172      7.43392908    -10.39562733
  H     12.70287530      8.11211618     -9.88345181
  H     15.14957566      8.07662781    -16.96307222
  O     16.71415484      5.11599345    -13.54977395
  H     12.81061051      6.64979114    -10.38644205
  H     18.87468999      6.87077955    -15.31343477
  O     13.87087164     11.22263080    -11.39451294
  H     17.07796151      5.24691909    -14.43362309
  H     18.39373165      8.20844219    -14.76279043
  O     16.45513847     11.99668672    -12.30266016
  H     16.37315531      5.97107890    -13.24788068
  H     15.87978882     10.36867648    -14.80207582
  O     11.95921854      8.90000021    -16.15739592
  H     14.74674995     11.53200208    -11.65947470
  H     15.75428219     11.70157030    -14.07524187
  O     16.48249138      5.58852804     -9.11781176
  H     13.34918489     11.17288321    -12.20329439
  H     15.86470797      7.78910074    -11.55506719
  O     13.09461337      6.55189054    -15.10282243
  H     16.92764603     12.77797765    -12.02672698
  H     14.69441297      7.75363687    -12.60114666
  O     12.79662277     10.66009716    -14.00292034
  H     16.99485240     11.23530611    -12.02461751
  H     14.86796307      5.28070468    -10.14216550
  O     14.49300354      9.75529775    -17.20152161
  H     12.25902275      8.01850855    -15.88366735
  H     14.63032556      6.00771206    -11.45920592
  O     17.60596525      5.63729482    -16.19446033
  H     11.12031886      8.77449638    -16.59550119
  H     17.78544294      5.16770962    -12.00291199
  O     16.65112563      8.79284671    -14.60521313
  H     16.80493998      5.08922828     -8.37289078
  H     18.74301344      6.23676867    -11.44001948
  O     15.39111884      7.23322571    -16.55178002
  H     17.14504842      5.49517082     -9.82782823
  H     13.78571447      4.46318880    -12.64903429
  O     19.16255792      7.61989172    -14.78103636
  H     13.29437408      5.67868823    -14.73765461
  H     14.93866129      4.44518454    -13.64924628
  O     15.39674402     11.21005088    -14.82389247
  H     13.01448622      7.12196888    -14.32126605
  H     18.52131398      9.21118365    -11.67393500
  O     15.59575750      7.44623175    -12.41736072
  H     12.35401933     10.21313858    -14.73383098
  H     17.33762165      9.38828878    -10.71021245
  O     14.20441471      5.41171583    -10.83030976
  H     13.68161005     10.89236885    -14.32519972
  H     20.61429511      7.84266424    -11.96880885
  O     18.20712209      5.47446685    -11.18933841
  H     13.57532062      9.58021511    -16.95577540
  H     19.56384134      7.66191660    -13.08633705
  O     13.97460329      4.39717938    -13.59081103
  H     14.80610257     10.43190829    -16.59020780
  H     15.33997856      8.69852434     -9.51081284
  O     17.85227604      9.84417822    -11.39063763
  H     16.83288844      6.17162993    -16.44334952
  H     16.25202251      7.42487796     -9.41858976
  O     19.67748295      7.74695066    -12.12325017
  H     17.75628536      5.02486276    -16.91026581
  H     13.45058130     10.08287255     -8.49316288
  O     16.16572314      8.30021354     -9.81645230
  H     16.38355249      8.43029018    -13.75045349
  H     13.75605433     10.18404012    -10.00609247
  O     13.74979518      9.57664522     -9.24399745
  H     16.21769639      8.25406664    -15.28157313
  H     12.89403433      9.06131285    -13.14222975
  O     13.02011607      8.13648926    -12.89996166
  H     14.60663920      6.91118876    -16.08604885
  H     12.58551842      7.95183016    -12.05508411
          69
 Energy    -248.00507624664132     
  O     16.21915861      3.97991052     -9.15103692
  H     16.21120810      4.92452397     -8.94977936
  H     17.61079173      7.41060619    -15.24885711
  O     18.44812541      8.72139412    -11.90542885
  H     15.33631328      3.78257034     -9.48735059
  H     12.88714479      6.78104544    -14.09172514
  O     13.41386175      7.84953491    -12.76076009
  H     18.32163667      8.25578903    -12.74188690
  H     12.73036802      6.47959156    -15.61368013
  O     13.18321659      7.17884859    -17.25469300
  H     18.72105840      8.06159910    -11.25620904
  H     15.69641265      5.63623501    -12.28221239
  O     16.37216757     10.40156331    -11.47743718
  H     14.02704610      7.20117844    -12.37372759
  H     14.58267064      5.22503885    -11.27527701
  O     16.26691380      6.84831145     -9.33046041
  H     12.85652786      8.14685064    -12.03406958
  H     17.52909256      4.04338464    -10.48678954
  O     18.93719993      6.78821744     -9.90678353
  H     13.83263608      7.88028823    -17.06547163
  H     18.60066146      5.09583466    -10.80852679
  O     11.22993964      4.54651519    -12.90931034
  H     12.65468702      7.48122863    -17.98797474
  H     11.35072798      8.70986594     -9.99342679
  O     15.35094943      5.29289067    -17.18462719
  H     17.14659151      9.81582478    -11.56573155
  H     11.85673523      7.28084807    -10.28096826
  O     15.14072945      8.95530947    -16.67584197
  H     16.71153624     11.27143761    -11.28168661
  H     14.64238371      8.86352268    -13.56636210
  O     17.34221977      7.14753247    -17.06067119
  H     15.79699606      7.67291411     -9.14947415
  H     15.73959366      9.85910933    -13.15431381
  O     17.52141280      7.52241941    -14.29393954
  H     15.91147281      6.54595425    -10.17928824
  H     13.89059745      8.88827577     -9.73461074
  O     12.67060121      6.08905080    -14.73350359
  H     18.00988715      6.83949753     -9.61433675
  H     15.20531259      9.59910006    -10.15200454
  O     15.02916406      5.98260803    -11.67515806
  H     19.47549748      6.81536050     -9.11979083
  H     10.58450200      5.15592704     -9.90911553
  O     18.15496007      4.32166698    -11.17090111
  H     11.58423140      5.10332537    -13.61647180
  H     11.23154806      5.21693914    -11.31347835
  O     12.09982081      8.21893261    -10.32425851
  H     11.74457576      3.73113951    -12.94501824
  H     17.40794776      4.65184472    -12.72870941
  O     15.40975871      9.34813513    -13.90351033
  H     15.15098770      4.70111808    -16.44999204
  H     17.19134282      5.81944504    -13.76336581
  O     14.76177144      9.15168226     -9.41962012
  H     14.55880200      5.82850634    -17.31844703
  H     12.88068601      4.34297756    -10.32589918
  O     11.33109082      5.50837369    -10.38822568
  H     15.95753859      8.48372255    -16.88105787
  H     13.52512071      3.28381355    -11.26675524
  O     16.85620432      4.96344338    -13.46366038
  H     15.21862047      9.24204012    -15.75597176
  H     13.74324953      2.94227012    -13.59010671
  O     13.68836107      3.84389879    -10.49568310
  H     17.96722922      7.01847850    -17.76878095
  H     13.24238398      1.54921917    -13.14594087
  O     13.20820683      2.47623013    -12.92475200
  H     16.69423208      6.42297999    -17.12125527
  H     15.42385209      4.31778981    -14.29292968
  O     14.59180226      4.03569017    -14.70452534
  H     16.77652880      8.12562910    -14.15880566
  H     13.97455461      4.78222371    -14.68695909
          69
 Energy    -248.00505374596742     
  O     -1.49984940      3.98015957      2.32232436
  H     -1.00138726      3.44498818      2.95018295
  H      0.02474890      2.82169865     -3.44758600
  O     -2.75594997      5.31258968     -0.94556286
  H     -1.92973797      3.38746763      1.68927543
  H      1.20180640      8.88532225     -2.07206480
  O      3.76561350      7.27445059      1.25730722
  H     -2.77001696      5.83212099     -0.12878830
  H      1.13341946      8.01406387     -0.79537340
  O      1.13290044      7.78797629      0.95473977
  H     -1.89947049      5.48439673     -1.36123860
  H     -1.77515489      0.80294404     -3.28269577
  O     -0.14424505      5.56959285     -1.86133399
  H      3.92492103      6.53113103      1.84938883
  H     -1.30262030      0.43755032     -1.86716627
  O      2.91103569      3.56124264      0.70167097
  H      3.87971931      6.94323683      0.35315936
  H      0.93719301      4.45290334      4.07548508
  O      0.59289009      5.02566311      0.70396258
  H      0.65306168      7.88181456      1.78607440
  H      2.16863800      5.28981120      3.69766784
  O     -2.45042103      6.46992407      1.58782800
  H      2.08078166      7.70069427      1.15257954
  H     -3.41370637      4.27856885     -2.42215559
  O     -0.24741654      1.49633554     -0.66344548
  H      0.09948882      5.31693276     -0.95527227
  H     -3.96158220      2.84499682     -2.58504510
  O     -2.61371138      2.74885582      0.14402038
  H      0.25359682      6.43509911     -2.01459063
  H     -1.66936687      2.38836303     -5.33675791
  O      1.30954322      1.48857723      1.69164182
  H      2.08259326      4.06912940      0.70591940
  H     -2.22121693      2.84975196     -3.96790497
  O      0.66561997      3.14937928     -2.80499139
  H      3.18595521      3.50548888     -0.21995265
  H      0.69320077      2.16038448      3.16595114
  O      1.22055963      7.98289393     -1.76505073
  H      0.76877896      5.95868454      0.88638552
  H      0.26612450      1.98644789      4.64322904
  O     -1.96414463      0.21912467     -2.53724741
  H     -0.10595591      4.72509220      1.29790588
  H      3.90127691      3.19002308     -2.68951030
  O      1.26025399      5.35961635      4.01558845
  H     -1.85341263      7.04552056      2.07432893
  H      2.39622603      3.39793456     -2.41449715
  O     -3.54290114      3.57036906     -3.06545693
  H     -2.27026154      5.59381313      1.96112525
  H     -0.43173579      8.04905700      4.10131406
  O     -1.50158979      2.35393973     -4.39875802
  H      0.15069384      2.05333328     -1.34436624
  H      0.23254636      6.74790639      3.60552058
  O      0.32124820      2.62491446      3.93769558
  H     -1.04612182      1.95466616     -0.36352481
  H      4.61915419      4.50000610      3.28292020
  O      3.28734562      3.61719959     -2.09682152
  H     -2.68461759      3.63106966     -0.25111152
  H      3.61795173      4.37637183      2.11106075
  O     -0.27778026      7.52611945      3.31879286
  H     -3.28149626      2.19882442     -0.28154840
  H     -5.00241000      0.62336354     -1.50233330
  O      3.86281834      4.91899577      2.87992589
  H      2.00478454      2.08679313      1.38759796
  H     -3.51353650      0.76782882     -1.90569387
  O     -4.28046491      1.24414737     -1.53960301
  H      0.75189172      1.34236805      0.91630847
  H      3.51545772      5.51871731     -1.70329248
  O      3.65223857      6.42349378     -1.40250102
  H      0.36293046      4.03584593     -2.55142031
  H      2.87914664      6.92587162     -1.68548551
          69
 Energy    -248.00501306087102     
  O     11.93223417     10.32997606    -14.55750485
  H     12.60035398     11.02320407    -14.58425761
  H     15.44642022     10.35439082    -17.12937055
  O     15.46899665      6.17424353    -12.87424019
  H     12.26756532      9.61845200    -15.12071294
  H     16.03803398      8.95893559    -14.43876116
  O     17.59840662      9.82484904    -14.90998352
  H     15.39207467      7.02074014    -13.34262124
  H     14.91072225      9.27177471    -13.43249748
  O     12.10567898      5.72776255    -15.24353164
  H     14.89084120      6.25498074    -12.10697314
  H     11.13135575      9.64516247    -13.17743560
  O     14.77640979     10.07202981     -8.72277938
  H     18.16777665      9.05928059    -15.05607753
  H      9.80003503      9.44085214    -12.41604173
  O     13.75097160      6.82229249    -10.74497387
  H     17.95974973     10.34244626    -14.17748924
  H     18.21417484      7.60042658    -11.19234888
  O     14.65675178     10.70375658    -12.33402728
  H     11.96180858      5.95488986    -14.30691284
  H     19.02169891      7.92845610     -9.91666458
  O     16.64783661      6.77568810    -16.77070591
  H     11.39585931      5.14353002    -15.49491451
  H     11.30917762      7.39692906    -12.59059784
  O     15.78458417      7.35603294     -8.95020622
  H     14.42403023     10.48732403     -7.93949577
  H     12.36993073      6.44713655    -11.99252130
  O     18.84197644      7.36405135    -15.34595292
  H     14.02015623      9.89678170     -9.30784692
  H     18.97235634     12.12498470    -12.56640903
  O     14.91369646      5.10660667    -15.39924986
  H     13.42770161      7.73277133    -10.74667931
  H     17.95180750     11.16451930    -11.93695952
  O     15.72309348     11.05862619    -16.53192108
  H     14.44031468      6.80779676    -10.06556526
  H     18.46582126      6.89530124    -13.54310942
  O     15.20239913      8.62492831    -14.08698023
  H     15.50709739     10.77339279    -11.88263719
  H     17.26868337      6.38113162    -12.70846973
  O     10.72514826      9.21076034    -12.40552055
  H     14.60318886     11.34766288    -13.05192976
  H     17.34199873      9.67398001    -10.55768611
  O     18.18804330      8.09013405    -10.35043169
  H     16.11461758      7.42189010    -17.24363630
  H     16.22357999     10.50723102     -9.89578564
  O     11.70715420      6.52383552    -12.69023222
  H     16.03418695      6.14745457    -16.36046253
  H     14.48008375      8.62381311    -18.83753858
  O     18.42608180     11.36619536    -12.75720158
  H     16.62667197      7.48473540     -9.40382898
  H     14.17876613      8.54388976    -17.32282879
  O     18.17687729      6.71035001    -12.64300939
  H     15.48314848      8.24152960     -8.71456161
  H     12.03188400      9.45535486    -11.10332973
  O     16.87106852     10.51971845    -10.61102453
  H     18.07027502      7.10687711    -15.88534841
  H     13.47047442      9.98681793    -11.28263598
  O     14.87225861      8.74148001    -17.97599713
  H     19.61402420      7.04580002    -15.80506010
  H     14.07750692     13.11649754    -14.83975749
  O     12.88222310      9.53490420    -10.65545603
  H     15.14990425      5.29380628    -14.47985941
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  O     14.16061367     12.18895744    -14.63597037
  H     13.95491821      5.19456772    -15.43055901
  H     13.89797733      8.30254085    -15.26706198
  O     13.17333009      8.21875188    -15.90810624
  H     16.48113792     10.70400689    -16.04453670
  H     12.76051062      7.35842319    -15.76295022
          69
 Energy    -248.00484517230970     
  O     -5.25252633      1.76434882     -4.18647751
  H     -5.84616080      1.99147779     -4.89654178
  H      0.39677748      2.55964098      4.41166360
  O     -6.33546821      1.75014632      0.64872214
  H     -5.59258449      2.19967872     -3.38255823
  H     -0.39042268      3.95475144      2.35404983
  O     -1.09437688     -1.88273990      2.11900252
  H     -7.09774046      1.55787397      1.18950722
  H     -0.14126872      4.12793148      0.84692127
  O     -2.28153953     -0.92094596     -0.22907573
  H     -5.79859938      2.38917301      1.14964431
  H     -3.03079201      2.99757226     -0.61097765
  O     -4.78573005     -0.74922744     -2.91323286
  H     -0.87725130     -2.76282701      2.41283790
  H     -3.28671057      4.51189887     -0.54418851
  O     -5.03511593     -0.60989487     -0.17651420
  H     -1.83724558     -1.57301207      2.67110114
  H      1.54369570      0.37488590     -1.21413402
  O     -1.92247497     -0.40984294     -2.91177445
  H     -3.24234534     -0.89866152     -0.10467033
  H      2.87553027      0.45507103     -0.43583390
  O     -2.61408038      2.36004789     -3.38410359
  H     -1.87940487     -1.35130503      0.53451175
  H      1.01166847      2.23550679     -0.39339906
  O      0.64179446      0.36755367      2.16496403
  H     -5.04310603      0.03781824     -3.40869862
  H      0.28164279      3.07520143     -1.46994484
  O      0.80694846      0.26527814     -2.79243660
  H     -3.83652899     -0.84335598     -3.05950211
  H     -2.54498483      1.80119613      1.98952097
  O     -3.17980760     -0.90451673      3.47001246
  H     -5.42739707      0.24077197      0.05944159
  H     -1.92309339      2.10571293      3.36144344
  O     -0.10451172      2.54419684      3.60101287
  H     -5.06454178     -0.69524960     -1.14111971
  H     -6.06410174     -2.57934432      2.20056245
  O     -0.55692716      4.54812284      1.61150113
  H     -1.99725325     -0.64532731     -1.97346103
  H     -5.42535429     -1.45616416      1.37005406
  O     -3.36639290      3.74849790     -1.12691650
  H     -2.16313525      0.52279766     -2.99319869
  H     -2.08168078      0.83264633      0.04367459
  O      1.93725758      0.60627873     -0.35408959
  H     -3.44531759      2.16038056     -3.83164318
  H     -1.19951705      2.12499462      0.04150960
  O      0.37670063      2.95265995     -0.51719001
  H     -2.84653085      2.91278901     -2.62233638
  H     -2.14432091      5.19631744      1.26716209
  O     -2.74234055      1.82257244      2.93889612
  H      1.10148577      0.37381352      1.31730277
  H     -3.05266771      6.44559558      1.21102463
  O     -5.55240939     -1.77771872      2.27667751
  H      0.08681478     -0.42207490      2.17011268
  H     -5.09875301      3.36000038     -1.61886896
  O     -2.07821115      1.77787162      0.24153814
  H     -0.06035963     -0.14678219     -2.90146255
  H     -6.26021398      2.53076079     -1.06974175
  O     -3.03038100      5.51299702      1.01524282
  H      0.69542903      1.16999760     -3.10875074
  H     -4.15343051      2.92251419      2.54340224
  O     -5.94266184      2.96036218     -1.87258894
  H     -4.04732296     -1.19255992      3.15508917
  H     -4.29782139      4.22541378      1.74010478
  O     -4.79710257      3.47210919      2.07389853
  H     -3.14077974      0.05612854      3.37211803
  H      0.28623388      3.60715796     -4.02386897
  O      0.05066117      2.97875812     -3.34613433
  H      0.20064384      1.76702445      3.09812538
  H     -0.89448323      2.78283982     -3.46344598
          69
 Energy    -248.00476382778817     
  O     14.02358563     11.67494879    -12.63305179
  H     14.70496393     11.52906309    -13.29974794
  H     19.10038625      5.96882838    -13.58260146
  O     15.45787529      6.60772943    -14.79749260
  H     14.46732676     11.60506761    -11.77991043
  H     18.18242494     10.46595835    -11.91055968
  O     15.73836393      5.96220976    -10.39122294
  H     15.67405198      5.80292158    -14.30930461
  H     17.31031295     11.33806005    -12.84526967
  O     18.77060695      8.67608837    -11.95770078
  H     15.73329445      7.33451394    -14.21698841
  H     17.07638263      8.49680190    -12.63132564
  O     14.53057486     10.06171643    -16.39075559
  H     15.39649198      6.86839489    -10.39780744
  H     15.59443701      8.49913127    -12.17273276
  O     11.41760822      6.34758921     -9.79739477
  H     15.01446533      5.39972594    -10.08857802
  H     10.91141944     11.29633112    -12.95751935
  O     12.82202433      6.59508128    -13.83000508
  H     18.74382468      7.94899191    -11.32257019
  H     12.43353991     11.03815786    -12.84379515
  O     14.72454604      8.52295298    -10.58911442
  H     19.24028665      8.35406900    -12.73995455
  H     13.26295534      4.15381741    -11.68129185
  O     18.06434439      9.12885295    -15.81839694
  H     13.68681454      9.72197967    -16.05740347
  H     14.25003915      4.10129784    -12.85459350
  O     19.76080427      7.62537292    -14.34171363
  H     14.96129461      9.32102180    -16.83143335
  H     12.26635575      8.12979896    -14.87593160
  O     16.02926119      7.73934081    -17.20886401
  H     11.63084087      7.04581921    -10.43692468
  H     11.90964288      9.58495748    -14.53222438
  O     18.77702513      5.23561587    -13.04567543
  H     10.46677466      6.34627022     -9.71874250
  H     17.50941908      6.17567759    -10.32343089
  O     17.66925279     11.28469473    -11.95083741
  H     13.68685349      6.67447314    -14.25392282
  H     18.85662366      6.02969394     -9.58165006
  O     16.16501046      8.47800334    -12.95079560
  H     12.80707628      5.70363465    -13.45308967
  H     15.92397820      5.12791286    -12.11057907
  O     11.56558993     10.60364736    -12.93039785
  H     14.94698927      9.43342320    -10.35760507
  H     17.04358214      4.69364898    -13.07441441
  O     13.30725961      4.14243858    -12.64391887
  H     13.80854572      8.49559369    -10.90074875
  H     12.69647777      5.14458385     -9.71739519
  O     12.21519884      9.01748478    -15.24962978
  H     17.56032700      9.84741253    -15.42267399
  H     13.21917416      3.80717831     -9.14151617
  O     18.46281830      6.35317526    -10.38814220
  H     17.45044153      8.66851947    -16.40573638
  H     11.88302742      9.03822701    -12.03790221
  O     16.08660446      4.64728346    -12.93326019
  H     20.62055512      7.65116077    -14.75382780
  H     12.41826444      7.63050509    -12.43678025
  O     13.42409295      4.50036002     -9.76381707
  H     19.16489873      8.14490499    -14.91029607
  H     16.35222052     11.25274446    -10.80546803
  O     12.20630619      8.20141571    -11.68167093
  H     15.90549718      7.14624661    -17.94488452
  H     15.65910120     11.78979094     -9.53036380
  O     15.54618956     11.18872619    -10.26180243
  H     15.78893940      7.24562074    -16.40514890
  H     15.57691556     10.70538691    -15.14420373
  O     16.15599529     10.83384104    -14.37435231
  H     18.81332283      5.54506806    -12.13234271
  H     16.10788283     10.00762861    -13.86675550
          69
 Energy    -248.00466448755779     
  O     -7.55818722     -3.59948486      5.32076905
  H     -6.96741291     -3.10015632      5.89480921
  H     -4.23408492      1.06113121      2.71972896
  O     -8.57371549     -2.67228835      1.85251506
  H     -8.38809549     -3.09966607      5.30313009
  H     -6.25983278     -1.27268636      3.13012907
  O     -6.89433196     -4.64159427      2.94888549
  H     -8.13195679     -1.96704948      2.35197002
  H     -7.24458387     -0.47183652      4.05270747
  O     -4.92066740      1.11415705      0.98908637
  H     -8.12218487     -3.48599880      2.10595767
  H     -5.58160958     -1.86665569      7.68265168
  O     -7.65860285      0.21506913      5.74427653
  H     -6.84553635     -5.59170882      2.99882488
  H     -5.23685003     -1.60164630      6.19530036
  O     -5.71672204      5.34110560      2.24997204
  H     -7.12998417     -4.32184015      3.84159534
  H     -1.41613070      3.69927633      3.83210437
  O     -9.70539675     -1.85624835      5.25886428
  H     -4.75280031      0.24658661      0.60156093
  H     -2.94044806      3.91560848      4.00491121
  O     -4.07959113     -1.34728602      4.94149012
  H     -5.87911527      1.23785641      0.97647054
  H     -9.08120168      1.49207977      5.04261608
  O     -3.83635392      3.72772172      1.13722320
  H     -7.16424505     -0.44545562      6.24908285
  H     -8.98046386      2.69457918      4.09122471
  O    -11.01274529     -1.71606240      2.68651210
  H     -7.06585317      0.97532096      5.63746206
  H    -10.67346622      0.09484435      2.17112409
  O     -4.81967675     -1.55220442      0.00242497
  H     -5.79433655      6.16984262      1.78519712
  H    -10.21741261      1.37808324      2.88737376
  O     -3.87064360      1.10716329      3.61406633
  H     -5.05454375      4.80854551      1.77398498
  H     -4.85167289     -2.33240995      1.71480180
  O     -7.05495870     -0.72584498      3.14249827
  H     -9.25615697     -1.02772659      5.45488682
  H     -5.55091838     -3.36983258      2.65459448
  O     -5.97049109     -1.74563231      6.82072695
  H    -10.23893730     -1.70387991      4.47020200
  H     -7.69570619     -0.37083869     -0.02916635
  O     -2.26692805      3.41012890      3.51466953
  H     -3.90140930     -0.47462851      4.56702848
  H     -7.95735117     -1.85462302      0.26706438
  O     -9.60690625      2.06848479      4.47938113
  H     -4.23194752     -1.92273873      4.17956590
  H     -4.86974147      5.03391411      3.97108855
  O    -10.31801558      0.97619971      2.01128926
  H     -3.16528760      3.63240467      1.82482914
  H     -4.92925152      3.94427964      5.05894227
  O     -4.98298904     -2.58852624      2.63601527
  H     -4.15331919      2.83524327      0.94667384
  H     -6.51662206      2.67176312      4.37207985
  O     -7.49137753     -1.26125507     -0.33750066
  H    -10.23081967     -2.15748625      2.31527315
  H     -5.23509424      1.82662853      4.60473782
  O     -4.37412220      4.65084600      4.70598128
  H    -11.76959639     -2.24501906      2.44599658
  H     -8.69286913      1.16441204      1.37008962
  O     -5.96137060      2.27534594      5.06075012
  H     -4.38111784     -1.86345131     -0.78512942
  H     -7.42677352      0.50185746      1.94817123
  O     -7.72617519      1.13985820      1.27797060
  H     -5.77089580     -1.50233487     -0.20278895
  H     -7.58659362      2.70919242      2.33578770
  O     -7.51832564      3.35950266      3.04612486
  H     -3.20148507      1.80328782      3.60886810
  H     -7.00357530      4.10559636      2.71368839
          69
 Ord_Energy   -248.004639    
 O  -0.506369352      -1.47124934       6.00850677    
 H  -0.869978905     -0.581442833       6.10856533    
 H  -0.110554516      -1.67905819       6.86829710    
 O    2.88168144       1.92667150       1.34641349    
 H    3.82232094       2.09133673       1.20188344    
 H    2.80695891       1.00466156       1.63210380    
 O   0.668612957       1.46346784       4.01392555    
 H   -8.88087042E-03   1.65387166       3.35427213    
 H    1.28937840       2.20087886       3.98280191    
 O    1.87811577     -0.872182965       4.65100384    
 H    1.47178185      -3.66845205E-02   4.36506224    
 H    1.19222474      -1.30258501       5.17358208    
 O   -1.35751665       1.25867403       5.91224146    
 H  -0.568737328       1.33446598       5.35178328    
 H   -2.10194016       1.17571306       5.30202913    
 O    3.97752643      0.349370122       5.94753599    
 H    3.27861834     -0.156246379       5.50743723    
 H    4.81970787       5.83383292E-02   5.57844210    
 O   -1.38588440       2.55459023       2.36351299    
 H   -1.05508423       3.40286231       2.68314648    
 H  -0.888941884       2.30559325       1.56790960    
 O    2.33228493       3.63046813       3.45948768    
 H    2.49425912       3.13640642       2.64191222    
 H    1.53517759       4.16468620       3.35676050    
 O  -0.223671705       4.82810354       3.59380841    
 H  -0.306659102       4.54428720       4.52341890    
 H  -0.489865929       5.74291420       3.55915141    
 O   0.222923204       1.58141863      0.423164606    
 H   0.146565884      0.623137712      0.519628584    
 H    1.15101266       1.79483044      0.584214926    
 O    3.91651082       3.10803628       5.63398361    
 H    3.91975594       2.14118505       5.71322489    
 H    3.39770627       3.34386587       4.84930992    
 O    5.47985554     -0.565063536       2.06610131    
 H    4.54211378     -0.778541803       1.96747541    
 H    5.60142660      0.302376747       1.66136193    
 O    5.66003561       2.20791459       1.30719316    
 H    5.86131096       2.40784979       2.23907518    
 H    6.31121540       2.66325593      0.780590534    
 O    2.03046608       3.56255507       7.59681368    
 H    2.36126304       4.12289143       8.29543877    
 H    2.74702954       3.48216438       6.94569111    
 O   -1.40051007      -1.31664383       3.29446006    
 H   -2.07833099     -0.639308751       3.40485168    
 H   -1.10319257      -1.54080141       4.18534946    
 O    8.24334323E-02  -1.21317160       1.01567030    
 H  -0.244890556      -1.89805627      0.438107729    
 H  -0.434950590      -1.27426088       1.83846569    
 O   -3.11744452      0.945678353       3.70085645    
 H   -2.58954692       1.56258273       3.16347766    
 H   -4.03274870       1.10288405       3.48541856    
 O    2.27501798      0.700928748       8.16435146    
 H    2.96586418      0.534823179       7.50866270    
 H    2.05221629       1.63255918       8.07357407    
 O    6.36911249     -0.247574478       4.60760307    
 H    6.07143402     -0.448339373       3.70200062    
 H    7.10673285     -0.822917402       4.79053402    
 O   0.825339198      -1.62577379       8.38900185    
 H    1.31611454     -0.786730647       8.36794758    
 H   0.999230444      -2.01081014       9.24319172    
 O  -0.384541661       3.91612935       6.14179420    
 H  -0.855159640       3.07811117       6.23325109    
 H   0.412736356       3.83494115       6.68061733    
 O    2.68006897     -0.810458124       2.02227759    
 H    1.86360443      -1.03815162       1.56094885    
 H    2.49480653     -0.959854186       2.96092057    
 O    6.18498659       2.53865623       3.95648146    
 H    5.53143358       2.89556909       4.56922340    
 H    6.37510061       1.64301538       4.26391172    
          69
 Energy    -248.00457963105319     
  O     15.95709469      8.95625020    -16.42580000
  H     16.18468562      8.68881992    -15.52455422
  H     17.26947353      9.58855124    -17.39510198
  O     15.43531858     12.60799928    -15.80364549
  H     15.11949837      9.42780013    -16.35119930
  H     16.24512345     12.86943148    -11.93626663
  O     18.64405072     10.22100767     -9.99411280
  H     14.72191326     11.98366809    -15.98395400
  H     15.02223597     13.57041447    -12.51973746
  O     20.37012336     11.62131850    -11.59580668
  H     16.10080369     12.11755147    -15.29292429
  H     19.21423221     16.00965408    -12.99780433
  O     13.69823604     10.82878076    -13.25237325
  H     19.28309748     10.77519367    -10.47260640
  H     19.66947217     16.82443449    -11.77978844
  O     15.81668831     10.53550107    -10.30967547
  H     19.01013407     10.07712176     -9.12432879
  H     20.50943328      9.89095901    -14.31930434
  O     16.53029648      8.61342604    -13.69064264
  H     20.61365200     10.94030121    -12.23469065
  H     21.84571913      9.36963350    -13.74384154
  O     17.44456127     12.78605035    -17.74419022
  H     20.84500710     12.42889431    -11.85436680
  H     14.99077031      9.25435050    -11.12341059
  O     21.41966643     13.83627764    -12.65431565
  H     13.83163409     10.03222450    -12.72361885
  H     14.13820697      7.96056529    -11.13811147
  O     19.57116928     10.58364407    -15.64828487
  H     14.22009995     11.51941953    -12.82622644
  H     18.39503385     14.04632617    -17.02389430
  O     13.59189590     10.53156590    -15.92974145
  H     15.58797481     11.39013689    -10.69435275
  H     19.12259354     15.40091694    -17.19726429
  O     18.00863953      9.96898322    -17.90326979
  H     16.77527356     10.51611510    -10.19860001
  H     18.21376910     15.04546194    -14.86432609
  O     15.27522398     12.85039475    -11.93132179
  H     17.33847067      8.40419421    -13.19770961
  H     16.92084278     15.15636205    -14.00384780
  O     19.99455308     16.26953735    -12.48512300
  H     15.79821234      8.52846534    -13.06883365
  H     20.49438401     12.23143221    -15.47058468
  O     20.95034297      9.59618221    -13.50477946
  H     16.65342118     12.77372719    -17.18822463
  H     20.26270838     13.72135985    -15.74249437
  O     14.52154479      8.62540995    -11.70261176
  H     17.67993268     11.86178045    -17.88471697
  H     18.70144855      8.86056168    -11.37308274
  O     18.87352214     14.74793237    -16.54820500
  H     21.30855928     13.61107472    -13.59057740
  H     19.57971401      8.63214909    -12.61872465
  O     17.88436309     15.18109437    -13.96494596
  H     21.04564372     14.71832146    -12.53907611
  H     16.95118708     10.35773157    -14.01982069
  O     20.84336507     13.10928311    -15.27594905
  H     19.24813381     10.29338537    -16.50809810
  H     17.51231977     11.74999467    -13.54171734
  O     18.78166104      8.32460756    -12.17098780
  H     18.77674013     10.86208772    -15.16565372
  H     15.15012250     14.00964719    -14.76410306
  O     17.26914320     11.22249204    -14.31304810
  H     13.58462819     10.61179519    -14.95743159
  H     14.37384605     15.29963214    -14.40793442
  O     15.07998156     14.73000641    -14.11344955
  H     12.69326137     10.36531607    -16.19982363
  H     18.13332137     13.72124996    -12.83353001
  O     17.99435515     12.93316039    -12.29107905
  H     18.09290930      9.44365802    -18.69432866
  H     18.85697303     12.58132301    -12.04211242
          69
 Energy    -248.00454592400268     
  O     -9.94976715      1.21944543      3.16868463
  H    -10.11820950      2.04271488      2.68925878
  H     -4.05190262     -1.25306847      4.26914221
  O     -8.84150089     -1.40197535      6.01038165
  H     -9.67475799      0.56216599      2.51739861
  H    -10.37917154      1.04047645      4.87454283
  O     -8.23789830      4.42413324      5.36832980
  H     -8.81325513     -2.11529123      6.64360164
  H    -10.10971929      0.04892607      6.01163727
  O    -12.71971948      2.62687651      5.29924472
  H     -8.07373482     -0.83253333      6.19529715
  H    -11.67882380      5.69140639      5.12323144
  O     -7.51081674      2.03976244      4.24715134
  H     -7.91354443      3.59511083      4.98480349
  H    -12.22195932      5.35824214      3.72354501
  O     -6.89012461      2.50901553      7.82307383
  H     -8.75378307      4.15294246      6.13387519
  H    -12.85742131      3.27929748      3.67828433
  O     -9.58110692      3.06521097      7.39857578
  H    -12.11234628      1.91569403      5.53672467
  H    -13.77696757      3.68173071      2.50241421
  O    -11.68223260      4.76669213      6.86998479
  H    -12.49953658      3.36266227      5.88489914
  H     -8.23613635     -0.89663003      2.00381099
  O     -6.59557178      5.93523433      2.29247656
  H     -8.32037436      1.71638281      3.83241976
  H     -9.03518711     -1.17171082      0.70827889
  O     -4.23520904      1.87743694      3.97661109
  H     -6.92922991      2.36355646      3.54628955
  H     -7.97982897     -1.58342777      4.22598444
  O    -10.30096265      3.55669098      1.74830612
  H     -6.17708439      2.99873338      7.39777459
  H     -6.56885777     -1.27742788      3.67195065
  O     -4.84797041     -0.73390846      4.34094427
  H     -6.80281357      1.61625443      7.46243285
  H    -10.07618801      6.02618508      3.42934254
  O    -10.51854334      0.90090442      5.82487623
  H     -8.67208072      2.89226103      7.68644272
  H     -8.85817342      5.26264570      3.96103886
  O    -11.72437721      6.02130023      4.21772135
  H     -9.87830253      2.29025071      6.90051559
  H     -6.11013417      4.10610283      2.19776145
  O    -12.88605436      3.76175307      2.83272406
  H    -10.93903636      4.21346569      7.16271108
  H     -6.61849156      2.80561280      1.52178548
  O     -8.75675224     -0.47512786      1.29662934
  H    -12.01704634      5.20244943      7.65041962
  H     -5.94242181     -0.17307785      5.76605785
  O     -7.46127218     -1.54079045      3.41472912
  H     -6.46442229      6.59379949      1.61482131
  H     -6.98670925      0.93267333      5.54728460
  O     -9.19906150      5.71092620      3.17072949
  H     -7.54144828      5.95172755      2.51596090
  H     -3.86071216      3.85422282      6.77774240
  O     -6.00157791      3.14786935      2.18742840
  H     -4.68402151      2.34032403      3.25663429
  H     -4.96082445      4.37670068      5.83086728
  O     -6.69633126      0.25850915      6.18491841
  H     -4.34321432      2.42640088      4.76354365
  H     -8.82594336      2.69905163      0.79853994
  O     -4.62272844      3.57838370      6.27323225
  H    -11.23991395      3.63584220      1.96433152
  H     -8.21706495      1.28394425      0.70999562
  O     -8.01829494      2.21877990      0.57666331
  H     -9.86452629      4.30821178      2.17299629
  H     -6.67915506      5.38113404      5.30622225
  O     -5.79798386      5.69700098      5.05556198
  H     -4.59522285      0.18924475      4.15671224
  H     -5.87118927      5.90990919      4.11923542
          69
 Energy    -248.00441666034476     
  O     11.19358592     11.26065116    -11.97778780
  H     12.05155491     11.54680387    -12.31275569
  H     19.24541473      5.60803164    -15.50835545
  O     13.82228666      7.83457084    -15.39719219
  H     10.68274132     10.97655019    -12.74684958
  H     15.90301572     13.42000406    -15.41507133
  O     17.61188760      9.79861292    -10.52028356
  H     14.14862776      7.91099856    -16.30231215
  H     15.26430370     12.07615297    -15.84247969
  O     17.54474023      8.45461468    -16.91522736
  H     14.56197593      8.09376321    -14.82462317
  H     16.49443447      9.17177945    -14.21056817
  O     12.38835020     10.19763539    -15.22399263
  H     16.69306081      9.91982198    -10.81549727
  H     15.59852881      9.03100426    -12.94814944
  O     14.99361356      5.86011644    -10.08296734
  H     17.65690226     10.12849316     -9.62580016
  H     10.96628932      9.95905468    -10.83137501
  O     12.73666943      6.52853120    -13.20294290
  H     17.92480401      7.66862676    -16.49883514
  H     10.32548788      9.39529992     -9.53838392
  O     15.06968433      9.97301142    -11.47264305
  H     17.69448337      9.18973940    -16.30678601
  H     10.32574111      8.05176668    -11.82214959
  O     15.03362455      8.48499586    -17.84621906
  H     12.78537620      9.31626743    -15.27440361
  H     10.99713308      7.17710660    -12.90763823
  O     14.62739034      4.58316136    -12.42784619
  H     11.46187377     10.09690520    -14.97657921
  H     18.71571423     10.23545691    -11.91880499
  O     17.59313384     10.41753236    -14.91082528
  H     15.89627782      6.20963531    -10.12713531
  H     20.07160115      9.98881756    -12.59583917
  O     18.52221398      6.22863908    -15.54719406
  H     14.40198738      6.61902123    -10.16146636
  H     16.17064237      5.49088950    -13.09333439
  O     15.72478327     12.53282746    -15.11383602
  H     13.30248868      5.77110203    -13.00626302
  H     16.53600750      6.95485736    -13.45862019
  O     15.88055266      8.58110771    -13.75318319
  H     13.04880699      6.90255004    -14.03873086
  H     17.48753210      6.61717010    -11.54029654
  O     10.83273425      9.14901986    -10.30669410
  H     14.59475304     10.61352194    -12.01970210
  H     17.63423528      7.84808507    -10.61423005
  O     10.20795724      7.70012728    -12.71334901
  H     14.43733506      9.30102722    -11.17800475
  H     14.63709278     10.30730888    -17.37330347
  O     19.24064409     10.44652014    -12.70531256
  H     15.96351391      8.44603298    -17.55366022
  H     13.54371367     10.91740072    -16.48286979
  O     16.91117605      6.07616391    -13.29050255
  H     15.01407134      8.16150066    -18.74234839
  H     13.10307730      7.51919474    -11.69321080
  O     17.52182953      6.89164556    -10.61440861
  H     14.75127991      4.95473090    -11.53426616
  H     12.45827837      8.34602389    -10.54507951
  O     14.34613982     11.13701806    -16.97694713
  H     14.55348599      3.63815925    -12.32659278
  H     14.43783585     12.06873402    -13.75840750
  O     13.29395971      7.98507354    -10.86655046
  H     18.22517458     10.50607090    -14.18277163
  H     13.26428445     11.08878113    -13.92318985
  O     13.74625160     11.61261838    -13.26474414
  H     17.05158118     11.21518383    -14.94333113
  H      8.94063032     10.01475619    -14.48985142
  O      9.83120979      9.95722065    -14.15555303
  H     18.00133073      6.08165564    -14.74249202
  H      9.90640752      9.10376781    -13.69152953
          69
 Energy    -248.00438800848431     
  O     11.59558406      9.35370978    -14.65595311
  H     11.85531625     10.28122167    -14.60876226
  H     16.56638910      6.33243650    -14.59613509
  O     16.35256986      7.02560302    -12.95012649
  H     12.12879124      8.94654486    -15.35116019
  H     18.96117180      8.01294133    -14.45536127
  O     17.05767121     11.15116670    -12.39387887
  H     15.83813306      7.72272930    -13.38954993
  H     18.32527551      7.01704901    -15.46386694
  O     16.71205710     11.08186201    -15.19487856
  H     15.85508912      6.76914316    -12.16545342
  H     14.31350172     11.20295771    -17.19172265
  O     13.77527610      5.36951131    -15.49885083
  H     17.31262766     11.24273045    -11.46707584
  H     15.22350474     11.63779642    -16.03288360
  O     15.36206442      9.56514575     -8.79097641
  H     16.08962924     11.14316415    -12.38660076
  H     15.66014534      9.61065679    -14.70618867
  O     14.74084740      6.55586986    -10.75709229
  H     17.42576231     10.72942569    -15.74319590
  H     14.43997783      8.67201533    -14.93848194
  O     14.24622502     10.89382533    -12.49789276
  H     17.04000695     11.24559391    -14.30212431
  H     10.33377602      7.88203777    -12.18746282
  O     15.98787231      8.28327116    -17.33783911
  H     13.35480687      4.56198513    -15.78280295
  H     11.35686772      8.48763948    -13.17709425
  O     16.68516742      7.01504469     -8.78186078
  H     13.53544715      5.49276816    -14.56263130
  H     18.78094916      8.46332499    -10.89298639
  O     18.43514248      9.80447553    -16.95182522
  H     15.74021178      8.68813652     -8.64976710
  H     18.39509263      9.41330682     -9.75175100
  O     16.55614241      6.11858754    -15.54188776
  H     14.56673946      9.42793215     -9.32040375
  H     12.37039548      6.49988255    -12.76123417
  O     18.99555414      7.70403833    -15.37152081
  H     15.38323369      6.56753531    -10.03649059
  H     13.63378116      5.86580590    -12.16347872
  O     14.35460558     11.78826422    -16.43777443
  H     14.26833563      7.40038846    -10.71554825
  H     18.06778402      9.55356423    -12.68447966
  O     15.04389771      9.00951351    -14.26651493
  H     13.63597283     11.44927116    -12.99603629
  H     17.77801507      8.03815194    -12.75375124
  O     11.26828380      7.98484798    -12.34750927
  H     14.45630824     10.15251149    -13.09102549
  H     16.66817259     10.61761869     -9.30579584
  O     18.64831014      8.50043408     -9.93736741
  H     16.76442054      8.85000439    -17.38083706
  H     17.64809824     11.76188087     -8.95487488
  O     13.04158894      5.82577117    -12.92416493
  H     16.24395158      7.54109279    -16.77090378
  H     12.54537999      8.66298726    -11.14291094
  O     18.49629848      8.69180675    -12.76122710
  H     17.04563328      6.50104122     -8.06435040
  H     13.65308397      9.72794171    -11.25049517
  O     17.46538820     11.09018358     -9.60651406
  H     17.43517985      7.47098755     -9.20401138
  H     12.03449403     12.85815541    -14.53846917
  O     13.33833758      8.99398709    -10.70286448
  H     18.72636918      9.04294739    -16.41726986
  H     13.16669687     12.01819929    -15.17383789
  O     12.53936480     12.05649161    -14.43037633
  H     19.14619283     10.00941158    -17.55206778
  H     13.43804484      7.09682600    -16.13091729
  O     13.44499828      8.03982081    -16.34571447
  H     15.69547814      5.70440123    -15.67588251
  H     14.25482835      8.19330204    -16.85720599
          69
 Energy    -248.00438439293734     
  O     18.61246226     11.46649097    -18.49370475
  H     17.70858604     11.59408430    -18.14935147
  H     17.10586625      4.95226888    -10.69872027
  O     15.88764945      5.99642388    -13.49974605
  H     18.70235629     12.03729680    -19.25171919
  H     20.96530533      8.31284613    -15.99679557
  O     17.61239714     12.17452311    -12.19953202
  H     16.49549737      6.15984341    -14.22950367
  H     20.92151701      9.80279716    -15.59213832
  O     21.30039371      8.31025878    -12.72022939
  H     15.34294875      6.78924207    -13.40701614
  H     18.02951118      8.50923349    -14.97887079
  O     16.10420875      7.92762843    -17.14806540
  H     18.09543323     12.72567612    -12.82787934
  H     17.02618049      9.69444181    -14.94253980
  O     13.49797050     10.80803177    -11.72732447
  H     18.13794782     11.36601722    -12.11378338
  H     15.73025169     11.10180149    -16.88188645
  O     14.76410244      8.53367312    -12.89403190
  H     22.19476358      8.27775821    -12.39234599
  H     16.22696776     12.56091647    -16.80377535
  O     19.00699053     13.41939865    -14.33830966
  H     21.35556949      8.53210739    -13.66792269
  H     17.63591522      8.88763646    -11.37261178
  O     19.42633098      6.17958416    -13.06632667
  H     16.60463929      7.36374969    -16.54660705
  H     17.00353586      7.55615300    -10.88588355
  O     15.23919911      9.95540604    -15.22395909
  H     15.65221654      8.57034830    -16.59075253
  H     16.41704351     11.57166693    -10.74143146
  O     18.05758659      6.70042377    -15.33538316
  H     12.70663535     11.02610211    -11.24278525
  H     16.14051032     10.11207316    -10.33216270
  O     17.31250151      5.74276261    -11.18994197
  H     14.24621629     10.90866237    -11.11037745
  H     19.82445712      9.33884701    -12.25764012
  O     21.30052876      8.94844898    -15.35217857
  H     14.14547931      9.18220115    -12.53625939
  H     18.58696791      9.63890419    -13.13631001
  O     17.93832869      9.44383235    -14.75425079
  H     15.50919522      8.52301942    -12.27473272
  H     15.99079096     12.14959286    -13.07369249
  O     16.19354821     11.77985830    -17.37864534
  H     19.71222757     14.06221836    -14.32912357
  H     14.47239771     11.84623426    -12.98831376
  O     16.83456245      8.49990929    -10.99122148
  H     19.31229640     12.67900113    -14.88799955
  H     20.54857949      6.50784181    -17.77060919
  O     15.78250484     11.00975046    -10.28059970
  H     20.08995544      6.83813106    -12.82937611
  H     19.53774434      7.68280747    -17.77967575
  O     18.95123553      9.74650454    -12.24272633
  H     18.86911693      6.03102404    -12.29343794
  H     15.82963038     13.41662111    -14.83027621
  O     15.16210665     12.17870230    -13.57460656
  H     15.01046481      9.33138870    -14.51904385
  H     17.28603276     13.79420949    -15.15276923
  O     20.09753858      7.12827476    -17.20451635
  H     15.18601601     10.82384367    -14.79760632
  H     19.05539617     10.60009356    -15.53832920
  O     16.39295290     13.79892957    -15.51691788
  H     18.53710303      6.45451824    -14.52582463
  H     19.43073778     11.36275486    -16.83540117
  O     19.68224153     11.24020329    -15.91056411
  H     18.72224158      6.72095356    -16.03683984
  H     18.48109917      9.59638707    -18.65361630
  O     18.39398841      8.63806704    -18.60115959
  H     16.76169211      5.72752374    -11.99403033
  H     17.51722218      8.45463823    -18.23477868
          69
 Ord_Energy   -248.004181    
 O   -1.90043664       7.97956371       1.33764589    
 H   -2.54726529       8.60690784      0.986575127    
 H   -1.07869148       8.47577763       1.41696703    
 O   -5.63023806       4.16618347       5.13760042    
 H   -5.81708956       3.70862079       5.95315027    
 H   -5.06040382       3.57714581       4.61111021    
 O    1.78299320       8.23060131       2.76000261    
 H    1.31982768       8.93542957       2.27225280    
 H    2.62442517       8.59077072       3.03028655    
 O   -4.15873909       2.58029342       3.49795079    
 H   -3.33195853       2.92140508       3.13311076    
 H   -4.72721815       2.41103268       2.73553228    
 O   -5.85054016       6.54212999       2.05052423    
 H   -5.38699102       6.65806055       2.89096069    
 H   -6.54570961       5.89152241       2.22549295    
 O   -2.22111011       10.4294806       3.96227121    
 H   -3.09929681       10.1186419       4.20929575    
 H   -1.59183455       9.74732590       4.23714256    
 O   -2.14502692       3.94414067       2.07552028    
 H   -1.38513064       3.97516870       1.48207247    
 H   -2.90710115       4.23940468       1.55495536    
 O   -2.19062042       6.11404276     -0.709893882    
 H   -1.49664533       5.45089483     -0.616216183    
 H   -2.04790878       6.74672556       1.23317996E-02
 O   -5.49312067       9.31130981       1.72534037    
 H   -5.32103491       9.49284458       2.65664577    
 H   -5.75176382       8.38081455       1.68828762    
 O   -7.37231874       4.37183285       2.82044053    
 H   -6.92959166       4.28009558       3.67350626    
 H   -6.99649811       3.68301606       2.25802016    
 O   0.290552676       9.88262653       1.22474539    
 H   0.405986309       9.68924522      0.284344524    
 H  -0.353875786       10.5955658       1.31647897    
 O   0.592282832       8.85996151      -1.34012699    
 H  -0.338665634       8.79508972      -1.61884069    
 H    1.09087276       9.12011051      -2.10989451    
 O   -2.02910304       8.63631916      -1.97691691    
 H   -2.59338593       9.15631580      -1.38726354    
 H   -2.20108533       7.70922136      -1.76578915    
 O   -4.83992052       9.45117855       4.53384256    
 H   -5.41383696       9.77209759       5.22534943    
 H   -4.78591728       8.48702240       4.64379025    
 O   -4.32178593       4.83719826      0.504825175    
 H   -3.69977880       5.29572535      -7.42845088E-02
 H   -4.82739639       5.50740671      0.988265097    
 O   -4.60999393       6.72115231       4.57681465    
 H   -4.97433043       5.88188839       4.88380432    
 H   -3.69739079       6.55796957       4.29147100    
 O   -1.79025030       11.6944971       1.65211689    
 H   -1.82975364       12.6368809       1.78677130    
 H   -1.96665394       11.2757750       2.51713061    
 O  -0.474828631       8.33727264       4.57175541    
 H   0.349496514       8.23501778       4.08380556    
 H  -0.989162624       7.54187393       4.37912941    
 O   -2.12864184       6.32461405       3.52180696    
 H   -2.04084134       5.43871546       3.15014696    
 H   -2.08848500       6.93948030       2.77254534    
 O   -5.79491282       2.61602116       1.16018760    
 H   -6.02117872       2.06549668      0.415171921    
 H   -5.28328609       3.36543560      0.809492469    
 O    1.26544392       6.64749718      0.420918196    
 H    1.08484852       7.35216427     -0.212725326    
 H    1.50459719       7.07526636       1.25186777    
 O   -3.41593480       9.95768452      0.100343242    
 H   -2.94214272       10.6699781      0.547330976    
 H   -4.23701620       9.80095482      0.593536079    
 O  -0.124097131       4.35027742      0.122638412    
 H   0.420864880       5.14376783      0.273470253    
 H   0.434976310       3.71436906     -0.315731436    
          69
 Energy    -248.00415731236993     
  O      1.33240218     -0.28607032      3.80884919
  H      0.67645813     -0.96089188      4.05590798
  H     -2.54554413      3.58273322      0.64526738
  O     -1.47505543     -1.54547736     -3.58453519
  H      2.02656805     -0.33267778      4.46151869
  H     -2.78491318      2.95951409      4.52905642
  O     -2.59396579     -0.27767554     -1.33881861
  H     -1.35231187     -2.42501364     -3.20648027
  H     -2.49636094      1.62160747      5.21074749
  O     -0.88710635     -3.90207467     -2.02436767
  H     -2.01680271     -1.06346863     -2.94390571
  H     -0.56768362      2.81143190      1.49987773
  O      1.33678705     -2.43788263     -1.41240854
  H     -3.23047094      0.26193282     -0.85509842
  H     -0.59736951      2.35236654      0.02779502
  O     -4.21613069      3.43208861      3.44553957
  H     -1.71907853      0.07367004     -1.11831287
  H     -3.49271588      0.82580930      1.14112281
  O     -3.43884767     -2.72543732      4.54659015
  H     -0.61719399     -4.77090905     -2.31008332
  H     -4.05448934      2.08748343      0.43800948
  O     -0.22537657      1.97618778      3.09268039
  H     -0.07675202     -3.43607849     -1.75113854
  H     -1.60635126      0.91720720      2.49738708
  O      0.91805951     -0.28658308     -3.26800488
  H      1.48497856     -2.00006336     -0.56495201
  H     -2.76501890      0.19709122      3.22662213
  O     -5.98319033      1.07316995      3.78198202
  H      1.35853230     -1.73584115     -2.07480063
  H     -2.34199894     -3.39497744     -0.94405450
  O     -3.58381052      0.03582593      4.86050171
  H     -4.00501014      3.59444487      2.51842999
  H     -2.90047039     -1.97341873     -0.72989613
  O     -3.49546696      3.80436250      0.67191630
  H     -4.84273671      2.70095331      3.45946257
  H      0.41057331     -1.38464568      1.12038471
  O     -2.09717456      2.47709405      5.01179871
  H     -3.78306350     -3.50357077      4.97736438
  H      1.52235880     -0.63441100      1.86290686
  O     -0.91925000      3.03726095      0.62702518
  H     -3.77594451     -2.74481949      3.63352633
  H      0.35536134      0.58018724     -1.69217262
  O     -4.14556018      1.12770013      0.48730407
  H     -0.78210432      2.23319607      3.84603578
  H      0.45191014      0.28523615     -0.17460529
  O     -2.34076265      0.30303660      2.36503859
  H      0.37779373      1.28580024      3.39075394
  H     -0.67527337     -2.36417989      3.27091486
  O     -2.94370508     -2.88053983     -0.39056357
  H      0.07251066     -0.70871303     -3.50381575
  H     -1.43607179     -2.39471776      4.58256489
  O      1.24685901     -0.90822866      0.98271076
  H      1.31547415      0.01296101     -4.08075539
  H     -1.70975904     -2.46577766      0.89315816
  O     -0.04343748      0.78630201     -0.83765495
  H     -6.14848924      0.55312655      2.98120449
  H     -1.61132249     -1.23453387      1.82925520
  O     -0.55589604     -2.24482044      4.22525095
  H     -6.83435866      1.24980953      4.17708656
  H     -5.10563181     -1.93442175      1.82192428
  O     -1.14474949     -2.03590627      1.54277073
  H     -4.46574476      0.34317695      4.61354583
  H     -4.03165443     -2.83722594      1.17951596
  O     -4.48350809     -2.64517602      2.01116926
  H     -3.60352977     -0.92981331      4.88644862
  H     -5.50661618      0.17919229      0.98302756
  O     -6.19236063     -0.37307994      1.40033264
  H     -3.59095471      4.65462993      0.25255056
  H     -6.86968567     -0.51785757      0.74434940
          69
 Energy    -248.00406626785875     
  O     12.32945339      8.06567634    -15.45096520
  H     12.46585055      9.01962827    -15.48969160
  H     20.52130755      8.34580807    -15.09753923
  O     18.05241940      7.10110975    -13.54155745
  H     13.12545228      7.66160330    -15.82093747
  H     15.88515134     11.11238517    -16.64392524
  O     17.15284512     11.21539669    -12.67840645
  H     18.53282714      7.75832315    -13.01979663
  H     15.33398143     10.02929268    -17.60347648
  O     17.34971902     11.24719772    -15.50783942
  H     17.40171515      7.61393616    -14.04815779
  H     16.79947151      9.45646881    -15.26092359
  O     14.79094925      9.23287843     -9.35203281
  H     17.18231080     11.29352877    -11.71316551
  H     15.68457950      9.11358622    -14.26207788
  O     15.98776467      6.20962133    -11.89119337
  H     16.25456978     10.91044247    -12.87115195
  H     11.97245818      7.22093753    -13.98391618
  O     14.63442095     10.14500150    -13.23870915
  H     17.41388251     11.42337764    -14.56013875
  H     11.01647600      6.37576229    -13.10621377
  O     18.55807723      8.60400719    -17.66594513
  H     18.23930588     11.24820999    -15.88247486
  H     19.96198759      8.91295722     -9.30096407
  O     16.81926179      7.18875748     -9.45872671
  H     14.37302681      8.83454401    -10.13254392
  H     19.25194883      9.02375633    -10.66905265
  O     19.78749813     10.84895132    -16.81794681
  H     14.09719003      9.36838571     -8.71091376
  H     13.42959273      5.59160735    -13.67921659
  O     19.60468782      6.74056158    -15.77845309
  H     16.28534961      6.39545275    -10.98780690
  H     14.89190519      5.41117622    -13.24804944
  O     20.73103354      9.20056721    -14.70314539
  H     16.74060950      6.41018892    -12.46252016
  H     18.54376544      9.98934952    -12.55851770
  O     15.09989973     10.84168757    -17.14052243
  H     14.25616528      9.45384466    -12.67875307
  H     19.85737559      9.37725288    -13.15455518
  O     16.32457174      8.71442950    -14.86768818
  H     13.97768568     10.41836456    -13.89134054
  H     16.25479242     10.43846092     -9.72528830
  O     11.90333086      6.72192013    -13.14941051
  H     17.64027492      8.44106168    -17.91081896
  H     17.78480341     10.30702576     -9.71536586
  O     19.10445458      8.88603556     -9.71747384
  H     18.84105910      7.87549896    -17.09859740
  H     15.39137113      7.66912965    -17.66169672
  O     14.28565737      5.27176525    -13.98701605
  H     17.65195263      7.67599469     -9.49767704
  H     15.46333342      7.98326574    -19.17206514
  O     19.24770934      9.34458678    -12.40271675
  H     16.14544243      7.84913388     -9.25701089
  H     14.61798304      7.38809378    -11.76523247
  O     17.06776371     10.91285380     -9.93887872
  H     19.36284117     10.06603519    -17.21678549
  H     13.10689822      7.58362499    -12.06450365
  O     15.78620856      8.26591058    -18.31959812
  H     20.23367166     11.31314631    -17.52060435
  H     13.72779319     10.85444073    -16.08132437
  O     13.87573978      8.00252152    -11.65774292
  H     19.96937977      5.86372109    -15.86907918
  H     12.45155257     11.57813239    -15.58998439
  O     13.00497614     10.81877203    -15.42877672
  H     19.05635502      6.73200211    -14.97652683
  H     15.35526081      7.52870827    -15.72874806
  O     14.80101325      6.87276349    -16.18118719
  H     20.53612855      9.85360271    -15.38681575
  H     14.64920263      6.16982884    -15.53351253
          69
 Energy    -248.00406462039965     
  O     11.48623833      7.83197473    -15.08965296
  H     12.12982516      7.57810531    -15.76864264
  H     17.46133520      6.64912488    -15.28774061
  O     17.12603642      7.03400875    -13.53229432
  H     11.57598057      8.78385681    -14.98242541
  H     17.65321513     11.77932351    -13.21290631
  O     15.47490125      9.96641461    -10.94484019
  H     17.50134641      7.75711124    -13.01332556
  H     19.14101910     12.20128935    -13.25542701
  O     14.78493374     10.93414058    -15.32134823
  H     16.62962001      6.47078094    -12.92224470
  H     15.66631202      7.86312545    -14.20849157
  O     15.16285705      4.83755836    -16.56587767
  H     15.36646320      9.36758704    -10.19224754
  H     14.45075236      7.83506982    -15.19572076
  O     14.92269899      7.91117452     -9.18135203
  H     14.68007712      9.83899394    -11.48274334
  H     10.83640908      5.29032802    -13.35133029
  O     15.52452396      5.58887306    -11.78557996
  H     15.66544117     11.19842666    -15.63098893
  H     11.56424394      6.52373541    -13.92980237
  O     13.29149878      9.36259323    -12.51127318
  H     14.87440439     10.01388144    -15.02465798
  H     18.71084443      8.07687613    -10.74002758
  O     17.67374692      8.86850703    -17.59880242
  H     15.12163416      3.99379053    -17.00760658
  H     19.97513178      7.40326515    -10.18227180
  O     16.92579778      5.83728831     -9.35726577
  H     14.83011236      4.69692283    -15.66031097
  H     14.71599633      4.77927355    -13.28101295
  O     17.37897254     11.23534058    -16.06246945
  H     15.59592512      7.22341042     -9.12004211
  H     13.29923113      4.93419197    -13.86749474
  O     17.42837283      6.54230876    -16.24858353
  H     14.19180085      7.51661123     -9.67381279
  H     15.75106246     11.45888520    -12.07335564
  O     18.55094140     11.47560438    -13.44301741
  H     14.71689175      6.08204767    -11.58051241
  H     15.41621586     11.73741392    -13.56087372
  O     14.85806170      8.32062862    -14.46771458
  H     16.02113162      5.52515638    -10.96091147
  H     18.27965999      9.90995359    -12.46365649
  O     11.66541656      5.76160426    -13.33232311
  H     12.69426266      9.91665100    -13.02262478
  H     17.08679591      9.44102026    -11.58120328
  O     19.02378875      7.40477062    -10.11390943
  H     13.82928171      8.89099011    -13.17026937
  H     14.73433799     10.03394965    -17.22426976
  O     14.18088300      4.59422208    -14.06291807
  H     17.61393289      8.02575174    -17.11478754
  H     15.83010192      9.18432947    -17.87916541
  O     15.96514381     12.02847141    -12.82464937
  H     18.29441404      8.73158315    -18.30975113
  H     13.09707826      7.82950020    -11.56334372
  O     17.94394739      9.17024826    -11.94358892
  H     17.71021004      6.36470263     -9.58696003
  H     12.54201447      6.42249963    -11.79749037
  O     14.87463896      9.33050959    -17.86513765
  H     17.18001786      5.25999545     -8.64208223
  H     12.98094422     10.90030072    -14.99172646
  O     13.12232749      6.92688944    -11.21367611
  H     17.92989083     11.24318469    -15.27144428
  H     11.54336671     11.45487553    -14.91859024
  O     12.07971441     10.69923578    -14.69101708
  H     17.60159409     10.43589466    -16.55733767
  H     14.11689868      6.36164715    -16.82920377
  O     13.62038732      7.18075164    -16.71783751
  H     16.71781368      5.91350009    -16.42096726
  H     14.03134619      7.86953811    -17.26225077
          69
 Energy    -248.00390399022854     
  O     14.29373961      8.63250640    -17.57929501
  H     14.80999522      8.18269260    -18.24184766
  H     15.27849190     10.34696620    -11.42708104
  O     11.58186393      8.94704440    -11.62696519
  H     14.50264783      9.58243958    -17.65234849
  H     14.96491819      8.04508595    -13.39036247
  O     14.39061699      9.04696415    -14.80567590
  H     11.23950043      9.24282215    -10.77480246
  H     15.73459818      8.39355584    -12.10705212
  O     12.50020494     12.11831737     -9.42845021
  H     12.10008650      8.14962303    -11.44858256
  H     13.07090763     15.07409073    -11.36491781
  O     14.70331367     11.31015279    -17.52070958
  H     14.41117607      8.76180697    -15.72780929
  H     13.84856338     16.15456883    -12.15239469
  O     11.65851366      9.49660954    -14.37866646
  H     14.82417460      9.91149235    -14.76975959
  H     14.03063281      7.06112684    -11.54279312
  O     13.44368807      8.40554613     -8.61089152
  H     11.93302434     11.40614825     -9.11214351
  H     13.18777300      5.86473240    -11.03714383
  O     13.61644247     10.91438462    -11.65415077
  H     12.96159649     11.75642932    -10.20099172
  H     16.96628013     12.68482299    -12.19737733
  O     11.11290352      9.72584783     -8.90640079
  H     15.05772676     11.52887693    -16.64844513
  H     18.34311317     12.37677146    -12.83548947
  O     16.06949392     13.66211053    -11.11650214
  H     13.81556668     11.68728809    -17.56837143
  H     11.29036431     11.30348634    -14.71193384
  O     13.48562002     12.90348845    -13.55391085
  H     12.60994390      9.34587430    -14.48144040
  H     11.42800099     12.28609862    -15.88992973
  O     16.18712091     10.01758314    -11.32554300
  H     11.44012165      9.24885096    -13.47254737
  H     15.51413845     11.59083325     -8.56386632
  O     15.26455539      7.67432388    -12.54875464
  H     14.30485017      8.83685081     -8.55292385
  H     14.26106888     12.44984460     -8.77290902
  O     13.79467506     15.21487883    -11.99963808
  H     13.48831772      7.78843966     -9.35251448
  H     14.80092221     12.12972454    -14.43617950
  O     13.28826648      6.80958802    -10.96321556
  H     12.92949225     10.24854874    -11.77954183
  H     16.27970157     11.73493386    -14.23865703
  O     17.44427840     12.06473491    -12.78081439
  H     13.53509421     11.58720603    -12.34502727
  H     11.43308006     12.25806323    -18.46348393
  O     11.26991161     12.24415810    -14.93864912
  H     10.47473226      9.43191870     -8.26237647
  H     11.70404486     11.00814259    -17.59413017
  O     15.22440943     12.49554379     -8.72729155
  H     11.94412032      9.25097012     -8.71681183
  H     16.14915579      9.77945794     -9.58018406
  O     15.52144314     11.60558077    -14.81935321
  H     15.82895089     13.29463549    -10.25339250
  H     16.78738291      9.38763493     -8.22650867
  O     11.91221905     11.95443001    -17.69691230
  H     15.34762740     14.24094834    -11.38180521
  H     11.98257077     13.75754622     -9.91000920
  O     15.98008999      9.70330837     -8.62514553
  H     13.52739900     13.76445781    -13.12412216
  H     10.82278520     14.66865827    -10.34616651
  O     11.77373965     14.63145881    -10.27845603
  H     12.64418929     12.80915463    -14.02637415
  H     12.39618344      8.91270228    -17.39350610
  O     11.53081410      9.29819499    -17.20637733
  H     16.75264814     10.62841236    -11.81136579
  H     11.41397228      9.24509141    -16.24800431
          69
 Energy    -248.00386884231165     
  O     13.20849443      5.08437467    -10.84279728
  H     13.50150958      5.50885568    -10.02692517
  H     11.99229592      8.60807473    -14.27482055
  O     14.75328824      9.66950176    -16.17212687
  H     14.02114969      4.72759182    -11.22788223
  H     16.76623834      9.76886637    -11.11477412
  O     18.08410780      9.08711849    -13.88739265
  H     14.41407149     10.03283686    -16.98656884
  H     17.44178915      8.89804177    -12.21297735
  O     16.15246812     11.44720779    -11.14924004
  H     13.98380097      9.45699698    -15.61698283
  H     13.89450917      8.40259814    -11.46427126
  O     10.70577226      7.33179483    -13.86832620
  H     18.91523709      8.61851087    -13.73792096
  H     15.29919290      8.57840572    -12.06834881
  O     18.12595889      3.68516480    -13.18697002
  H     17.55758761      8.52902706    -14.47839005
  H     19.89316679      6.79955667    -12.60143904
  O     12.25560232      5.12991622    -13.58555644
  H     16.12796081     11.51869963    -12.11179779
  H     21.14507791      7.42724134    -13.25867854
  O     16.80675070      6.42605340    -10.12980502
  H     15.23901704     11.52636305    -10.85038655
  H     14.62361227      6.88182769    -13.30032892
  O     13.30881603     11.52579066    -10.55184846
  H      9.84469330      7.12961438    -14.22441936
  H     15.25156759      5.47681178    -13.26557308
  O     18.58963906      5.64152870    -15.02181410
  H     11.20425207      6.49472252    -13.84422896
  H     16.89446216     10.58550395    -13.96710510
  O     13.37178815     11.69571839    -13.26536413
  H     18.48788554      2.85890207    -13.49561712
  H     15.66096519     10.73845937    -14.84770001
  O     12.76975408      9.17405881    -14.34307667
  H     18.25243091      4.33209920    -13.90398771
  H     15.95403237      8.19659350    -15.94180911
  O     16.96480211      8.85696599    -11.37331981
  H     13.12805524      5.40508183    -13.90040234
  H     15.91150197      6.95594586    -15.01953464
  O     14.38955654      8.34104872    -12.28897208
  H     12.39304520      4.91976152    -12.65454555
  H     18.92548964      4.90639641    -11.91994303
  O     20.20015833      7.34076836    -13.35095165
  H     16.89046195      7.30750127    -10.52670651
  H     18.50057306      5.91794964    -10.83655115
  O     14.85782343      6.12758929    -13.86210510
  H     16.06176138      6.47277036     -9.51962924
  H     11.84727270      6.48147160    -11.02414339
  O     16.08828315     11.11008919    -14.06532314
  H     12.92173404     12.31474209    -10.18041998
  H     11.00659433      7.38067648    -11.95309822
  O     16.50335545      7.50226573    -15.56076286
  H     13.24940566     11.61499754    -11.51951023
  H     16.54403683      4.04720099    -12.28364887
  O     19.22505048      5.68179255    -11.42927140
  H     19.22831411      6.21948241    -14.58580514
  H     16.17335110      5.14672757    -11.25488900
  O     11.30783941      7.28283177    -11.04306035
  H     17.90667154      6.22233573    -15.37936821
  H     14.17322449      6.57514616     -7.76004020
  O     15.79778421      4.48296416    -11.85332927
  H     12.95862721     10.93010082    -13.68569465
  H     13.96814302      7.47847916     -8.99734873
  O     14.35641440      6.63965192     -8.69421844
  H     14.29982471     11.65596374    -13.52843632
  H     12.33789110      8.41830598    -10.16679023
  O     13.14202232      8.82108404     -9.79841827
  H     13.35642475      8.92709225    -13.60981441
  H     13.13483831      9.76856956     -9.98051078
          69
 Energy    -248.00385123060710     
  O     17.07353154      8.13107613    -15.73732143
  H     16.63800602      8.89166668    -16.15076706
  H     16.84436142     11.32554360    -10.57426383
  O     15.37156102     11.06396016    -14.00863971
  H     16.78130704      7.36615105    -16.22765223
  H     19.35494774     16.59345753    -15.66352819
  O     21.36607248     10.81437698    -11.70259199
  H     15.33257633     10.74567564    -14.91750010
  H     18.46286958     16.22026103    -14.46076338
  O     21.13022281     13.31356639    -12.93588260
  H     16.32215728     11.20627205    -13.85956035
  H     20.33705053     11.88297981    -15.89135307
  O     15.55979440     10.09923063    -11.39734523
  H     21.38032310     11.73596829    -11.99264010
  H     21.42640985     11.11359946    -15.10328459
  O     19.64371601      9.99635245     -9.78867221
  H     21.54475531     10.29016714    -12.49178572
  H     17.07176991      8.89999427    -11.35439062
  O     19.00907798      8.69093021    -13.82978657
  H     21.40669098     14.22474057    -13.09529090
  H     18.49339237      8.86625996    -10.75204485
  O     17.58145509     14.27970118    -16.85335070
  H     21.10720190     12.87804221    -13.80042679
  H     15.85923752     13.54594924    -17.17634685
  O     21.67925332     15.92432610    -13.74155771
  H     15.38075831     10.36995898    -12.31110436
  H     14.69070278     13.38547479    -16.20324204
  O     18.59841856     11.73910162    -16.44729642
  H     14.72174594      9.83678768    -11.02278334
  H     20.51545524     15.44256460    -17.11306591
  O     16.05092316     10.52666414    -16.73352904
  H     20.13327979      9.80558212     -8.99324013
  H     20.04823909     16.43679355    -18.20324191
  O     17.57196334     11.87077683    -10.25379467
  H     20.29321209     10.28337399    -10.45557907
  H     17.57518512     14.45949676    -13.45082640
  O     19.26474334     16.69842010    -14.70814236
  H     18.64403719      8.45407207    -12.96361326
  H     16.19678385     14.64371203    -14.14017474
  O     21.17749982     11.98919948    -15.42331324
  H     18.36360439      8.44454880    -14.50720759
  H     21.93888820     15.05605157    -15.45288791
  O     17.90279293      8.41045632    -11.36636151
  H     17.44711555     14.50781299    -15.92134419
  H     21.71845120     13.66745454    -16.08941395
  O     15.02159469     13.07738090    -17.05405850
  H     18.26917029     14.86820874    -17.18723946
  H     22.13171372      8.71802883    -14.45839514
  O     19.75041642     15.94885885    -17.44052679
  H     22.15018877     16.67481260    -13.39025984
  H     20.67323375      9.11116347    -14.12110050
  O     17.12003871     14.91975163    -14.17248170
  H     20.80085676     16.24536044    -14.01516418
  H     18.30083516     11.98480143    -13.16990607
  O     21.81739480     14.60553429    -16.29778583
  H     18.39364791     11.61874488    -15.50570411
  H     18.47276360     10.46973613    -13.62323092
  O     21.57925243      9.45605299    -14.21443093
  H     18.28737926     12.62479574    -16.68439262
  H     14.77357216     12.78062207    -14.08496551
  O     18.03809537     11.31105536    -13.80745129
  H     15.54532387     11.31525980    -16.97802771
  H     13.72900039     13.87763384    -13.77818801
  O     14.54546039     13.71098336    -14.24305856
  H     16.97391482     10.81742919    -16.75983474
  H     18.19599018     13.05991361    -11.41445712
  O     18.46692877     13.53474449    -12.21460405
  H     18.27109089     11.25674115     -9.99344473
  H     19.42896473     13.50959820    -12.30457705
          69
 Energy    -248.00366031783904     
  O     17.36974252     11.19675946    -15.52399889
  H     17.32090215     10.58576284    -16.26704545
  H     18.93232200      5.21079919    -16.19699483
  O     14.24133272      7.11719627    -16.01696444
  H     16.49288340     11.19749071    -15.11996050
  H     18.91811295      8.69173418    -17.45892543
  O     17.87833524      6.40052087    -11.74724738
  H     14.24411960      6.31997088    -16.55956977
  H     19.76540581      7.41020822    -17.52168754
  O     19.40446918      5.57827069    -17.94860165
  H     15.15238265      7.21686551    -15.69398109
  H     17.42431713      6.61585419    -15.25223826
  O     16.90385713      6.33982036    -18.62154065
  H     18.71758445      6.09480782    -12.10817806
  H     17.12659511      7.91345264    -14.43761579
  O     13.66185878      6.95668838    -13.35648953
  H     17.76324804      7.28819812    -12.12288709
  H     14.72871358     10.47567754    -13.52359478
  O     17.45371241      8.81557828    -12.91244100
  H     18.51000343      5.79896498    -18.26799045
  H     14.28374058     11.84902298    -14.05830008
  O     15.99485239      3.97414111    -15.06764564
  H     19.84014753      5.10315820    -18.65065238
  H     13.24184433      5.59307167    -10.40499499
  O     11.91712038      6.30353109    -11.33107310
  H     16.16667979      5.84336859    -18.24485604
  H     13.85020460      4.66511861     -9.32731601
  O     20.46957381      8.34736182    -14.52406678
  H     16.78104289      7.26526348    -18.38221387
  H     14.15171014      8.85693820    -16.65689407
  O     14.84390204      4.77005801    -17.38151097
  H     13.67980333      7.01282444    -14.32060279
  H     14.39596297     10.24876227    -16.05358963
  O     18.51303563      5.12509839    -15.33085676
  H     14.34275771      6.31597810    -13.10255302
  H     20.35375344      6.84279057    -13.70245709
  O     19.77323890      8.32338300    -17.20929056
  H     18.03947882      9.57171525    -13.03391874
  H     21.11847736      5.66844723    -13.04674626
  O     16.86968734      7.40482196    -15.21707373
  H     16.57537066      9.12012355    -12.65209724
  H     15.07280333      4.94476511    -11.64045835
  O     14.76902891     11.06112187    -14.29543593
  H     15.74223117      4.23664965    -14.17420771
  H     16.38009685      5.48331836    -12.26898850
  O     14.07846268      5.26266467    -10.03444724
  H     16.92486348      4.22660377    -15.15732454
  H     16.56204185      7.21954506    -10.44466631
  O     14.38106268      9.76854341    -16.88903121
  H     12.40897570      6.57577715    -12.12353472
  H     15.15115384      6.87509326     -9.96464306
  O     20.24632709      5.96285017    -13.29429365
  H     11.12801708      6.83820862    -11.30977374
  H     14.34088684      8.49527519    -12.65916100
  O     15.52828984      5.07452482    -12.48116104
  H     20.28418932      8.35607383    -15.47480809
  H     15.07335666      8.83218637    -11.35317372
  O     15.74405202      7.61929083    -10.12652734
  H     20.17927155      9.20182204    -14.18934221
  H     18.64689452     11.02459320    -14.37008635
  O     14.79731948      9.21532550    -12.19924934
  H     14.38223911      4.04477863    -17.79282393
  H     19.66770230     11.62192115    -13.36952950
  O     19.25406371     10.80706175    -13.63918159
  H     15.23062129      4.42668399    -16.55477953
  H     17.03482961      8.45233966    -16.64442984
  O     16.98055935      9.02089931    -17.43112530
  H     19.17333764      5.31569877    -14.65278555
  H     16.07486448      9.36535632    -17.44239177
          69
 Energy    -248.00359662420669     
  O     11.72515050      9.91146878    -15.92042329
  H     11.45331416      9.56714984    -15.06158452
  H     15.85486001     10.85954032    -17.66180049
  O     16.36426253      6.35044488    -12.94060073
  H     12.31367345     10.65762221    -15.75324183
  H     15.70845338      7.55696508    -15.78951572
  O     17.12422515     10.60534353    -12.87542643
  H     15.67244666      6.49032324    -12.28121123
  H     15.50236880      6.93742982    -14.38851728
  O     14.53155699     10.08171851     -9.43448783
  H     17.09364405      6.95654226    -12.74609059
  H     11.52287076      7.79201207    -13.56447158
  O     14.22925805      6.88636780    -11.23661567
  H     16.22984323     10.35457107    -13.15270328
  H     10.06912691      8.28935190    -13.39465195
  O     14.68194591      9.82514761    -13.81284333
  H     17.06204543     10.94760963    -11.97531491
  H     18.16199834      8.29886181    -10.63092187
  O     17.00199674      8.13014632    -16.87755374
  H     14.75622599      9.20615913     -9.09706799
  H     17.63634274      9.49702306     -9.82075028
  O     15.52684603      7.44276573     -8.81908333
  H     13.89059648      9.93890009    -10.14438113
  H     13.41752715      6.66386064    -14.27219989
  O     19.04659422      6.38144168    -16.04121493
  H     14.62528938      6.92662223    -10.35680947
  H     13.16038434      6.38944363    -12.78125689
  O     17.70655267      4.47845225    -14.50666638
  H     13.79632624      7.74182636    -11.36812477
  H     17.83088290     10.49973754    -14.57324430
  O     20.19369677      8.38543111    -14.67482711
  H     14.75210869      9.01180978    -14.32750383
  H     18.97161079      9.73517472    -15.26781610
  O     16.02707370     11.48666444    -16.94702596
  H     14.34442949     10.52355885    -14.38988285
  H     19.11169599      8.15459895    -13.14466922
  O     15.03110714      7.34267741    -15.13139684
  H     16.56703205      8.49602154    -17.65736473
  H     17.95440583      9.02458876    -12.60896946
  O     10.97323945      8.58817502    -13.45354752
  H     17.38230096      8.87482984    -16.38945185
  H     15.99472879     10.90296086     -9.88953772
  O     17.81781196      8.55078732     -9.76430731
  H     15.67796740      7.00772897     -7.98447264
  H     17.03679729     12.01738530     -9.62841238
  O     12.71664024      6.48782169    -13.63366190
  H     16.39155342      7.76878082     -9.12763496
  H     14.63482856      9.03373565    -18.35426964
  O     18.16798458     10.24184107    -15.44286357
  H     18.32630839      6.84933638    -16.48336581
  H     15.26266889      9.36083882    -19.73316724
  O     18.40121195      8.17265814    -12.49312888
  H     18.64204209      5.64711818    -15.55870589
  H     13.63325416      9.61075045    -12.39487718
  O     16.86618166     11.24468236    -10.16013014
  H     17.25587081      3.63831625    -14.54328790
  H     12.17386620      9.21744690    -12.11898938
  O     15.41626444      9.41697659    -18.79454016
  H     17.20249118      5.02515545    -13.88489302
  H     14.57685738     11.78436493    -16.04423672
  O     13.01448860      9.39348967    -11.68068160
  H     19.85945566      7.61897725    -15.17714610
  H     13.66628667     12.78836022    -15.29907304
  O     13.79369341     11.85888868    -15.46966320
  H     21.14417867      8.36552139    -14.74051099
  H     12.74258897      8.84115760    -16.94539579
  O     13.42959286      8.29713114    -17.35884785
  H     16.84043372     11.19896426    -16.51634890
  H     13.83615937      7.80282544    -16.64032838
          69
 Energy    -248.00345857325470     
  O     16.54604065     10.44131873    -14.53880904
  H     17.19480436      9.76922963    -14.79691698
  H     13.13121173     11.16373629     -8.41260534
  O     15.15572891      6.68412711     -9.11608449
  H     15.70095671     10.14336579    -14.90034573
  H     16.83052618      4.70442859    -15.14630751
  O     12.79457705      8.03386973     -9.99910651
  H     15.52662148      7.53371364     -8.81390312
  H     18.18737689      4.05706131    -15.46240323
  O     14.30728187      9.08413293    -15.46243704
  H     15.34530874      6.04211723     -8.43797426
  H     15.74546246      8.00079702    -11.84775831
  O     18.38146987      8.47001843    -15.20338249
  H     12.97432989      8.90268558     -9.62003598
  H     15.61801887      6.77702877    -10.89808982
  O     20.43603124     10.13886783    -14.21018648
  H     13.50528382      7.46217879     -9.68527561
  H     18.54301262     13.28075366    -10.41686057
  O     18.20678054      6.64838247    -13.10936834
  H     14.89017509      8.73970863    -16.15542657
  H     18.01878793     11.85402276    -10.70075752
  O     11.73072906      7.76206136    -12.47391074
  H     14.17433277      8.33804547    -14.86206693
  H     17.05422932      7.96185063    -16.48768354
  O     15.57118087     13.40352364    -12.28681658
  H     19.18056796      8.97970684    -15.02115943
  H     15.97912906      6.87134077    -16.66609160
  O     12.48753297     10.28336234    -13.62673412
  H     18.31069776      7.81261872    -14.49567027
  H     14.99649982     10.30582375    -11.80762731
  O     13.67751979     11.55490805    -11.52519517
  H     21.27076705     10.46947972    -14.53059001
  H     16.07787716     10.00622695    -12.88105806
  O     13.60681857     10.58533566     -9.00338806
  H     19.86556609     10.91336758    -14.06036836
  H     17.82906630     11.67555655    -14.04849581
  O     17.69868636      4.49663738    -14.77004830
  H     17.38201103      6.73018536    -12.61046353
  H     18.48575019     12.38809746    -12.83871241
  O     15.79054114      7.03192234    -11.81185436
  H     18.14101274      5.82966040    -13.61972763
  H     18.60869507      9.62149168    -10.74289484
  O     18.02152664     12.76902186    -11.02981973
  H     10.82473779      7.48183857    -12.37416634
  H     17.11437833      9.99420379    -10.90229885
  O     16.22931447      7.75864371    -16.94859100
  H     12.09555935      7.85387454    -11.57522688
  H     14.61820559      6.77890070    -13.12728629
  O     15.75688734      9.74759540    -12.00593783
  H     16.39349966     13.24055829    -11.80291304
  H     13.11752439      6.99980895    -13.43522624
  O     18.63231980     12.13029919    -13.75613239
  H     15.83638292     13.61814489    -13.17978774
  H     19.28977768      7.89541646    -12.18374501
  O     17.89235840     10.13471252    -10.34001359
  H     13.02921992     10.02451494    -14.38264695
  H     20.05820281      9.17125820    -12.56880097
  O     13.96127404      6.76253164    -13.83945937
  H     12.13461281      9.46165398    -13.26304357
  H     16.76832695      9.51533363     -8.95854669
  O     19.69873363      8.68957195    -11.81481571
  H     13.18471390     11.21774666    -12.28878786
  H     15.27617588      9.73429910     -8.58857214
  O     16.03318079      9.15139379     -8.44844556
  H     14.24893031     12.28118784    -11.81297806
  H     14.55109529      4.81349210    -16.31390192
  O     15.19966651      5.28984234    -15.80078586
  H     13.59248508     11.00805806     -9.87996238
  H     14.70870209      5.76578752    -15.10987494
          69
 Energy    -248.00320312410162     
  O      1.95373250      0.84470510      3.16220870
  H      1.46819271      0.24932085      3.76490683
  H     -4.12495608     -0.79182428      4.83140852
  O     -1.75616626     -2.01012168     -3.20084350
  H      2.82081366      0.97212997      3.53593803
  H     -4.18812456      4.16934170     -0.15601451
  O      0.41610072     -0.75703305      4.65856363
  H     -1.53548015     -2.83513331     -2.75001722
  H     -2.93559848      3.37647547      0.29513356
  O     -2.79953473     -0.51563451     -1.01760355
  H     -2.29933405     -1.50671283     -2.58001551
  H     -1.44709974      1.85471585      5.66136812
  O     -0.79355248     -4.15963558     -1.54671639
  H     -0.22530044     -0.22368885      5.15255866
  H     -2.33528307      0.61155736      5.78076736
  O      1.31624631     -2.47353352     -1.22528088
  H     -0.08068194     -1.33856785      4.07200919
  H     -0.87436413      2.96689655      1.04627399
  O     -3.92017657      3.65875153      3.31708882
  H     -3.44333744     -0.01635924     -0.50639028
  H     -0.91532746      2.33623658     -0.35507848
  O     -4.54510003     -2.42336777      4.31708632
  H     -1.96023496     -0.03372707     -0.96864248
  H     -3.64453744      0.65231839      1.53281937
  O     -0.31598928      2.43910082      2.69737036
  H     -0.49493685     -5.04092287     -1.75345819
  H     -4.36475229      1.72548737      0.67531783
  O      0.58035384     -0.61757793     -3.29404028
  H      0.00350779     -3.62106726     -1.39212450
  H     -1.63888093      1.14912271      2.69007063
  O     -5.83304298      1.51454528      3.33913910
  H      1.35772341     -1.93029268     -0.42740738
  H     -2.75381410      0.42033432      3.52136021
  O     -3.91427255      0.14815373      4.94836052
  H      1.24479559     -1.85515344     -1.96287416
  H     -1.99050562     -3.52118871     -0.26592373
  O     -3.89383211      3.48869183      0.44255704
  H     -3.86527147      3.72920191      2.35631165
  H     -2.58687797     -2.10266544     -0.15719944
  O     -1.42640216      0.92110909      5.89883557
  H     -4.64288675      3.04219761      3.48103415
  H      0.35663130     -1.20930591      1.47700364
  O     -1.27089499      3.06527693      0.16929517
  H     -4.16415414     -3.28635014      4.45854200
  H      1.50008103     -0.17929503      1.62364630
  O     -4.42319866      0.80496027      0.96762488
  H     -4.70407822     -2.35158734      3.36135934
  H     -2.48155301      3.65317069      4.33522468
  O     -2.33204714      0.47831265      2.65293949
  H     -0.61335482      2.91109437      3.48621035
  H     -1.59992179      4.41519736      5.35067559
  O     -2.51371423     -2.94969638      0.30848098
  H      0.51612473      1.99232946      2.89656274
  H      0.05723350      0.40599240     -1.82155665
  O      1.03119693     -0.72251985      0.98043439
  H     -0.25756747     -1.10736198     -3.37947170
  H      0.17388027      0.26870192     -0.27809812
  O     -1.65122422      3.61037190      4.84184794
  H      0.87872913     -0.42095060     -4.17747086
  H     -1.49216774     -2.44641209      1.78274174
  O     -0.31165416      0.71693860     -0.98573781
  H     -5.47761546      1.20902918      2.49113487
  H     -1.51292893     -1.09716790      2.52255273
  O     -1.00750134     -1.91970298      2.43008374
  H     -6.77111663      1.33820561      3.32130597
  H     -4.87014017     -1.16079967      1.27683424
  O     -4.85480156     -2.06499827      1.60431111
  H     -4.65391817      0.64252077      4.57967301
  H     -4.12639338     -2.50507162      1.14393434
          69
 Energy    -248.00306826056010     
  O     16.11209743     10.36102000    -15.24972865
  H     16.83416210      9.73468317    -15.39646216
  H     14.52319368     11.86465468    -11.51697642
  O     15.02991491      7.43976241     -9.16222343
  H     15.29115785      9.87255588    -15.40609162
  H     16.67500853      4.41048760    -15.00205146
  O     16.39200340     13.02292939    -14.77976343
  H     15.17376669      7.00950804     -8.32375937
  H     17.56990849      3.21419575    -14.63206312
  O     12.72414221      8.72441658    -10.24055498
  H     15.40164886      8.33692042     -9.08661722
  H     15.81617260      7.92032649    -12.12472961
  O     13.99030818      8.67387250    -15.62508420
  H     16.03854334     13.54822596    -15.49297626
  H     15.51148872      6.98458062    -10.92859202
  O     17.98784438      8.33353165    -15.51915556
  H     16.24320035     12.09065265    -15.01512091
  H     18.94895548     13.09927335    -10.38577626
  O     20.10594849      9.98266261    -14.74967781
  H     13.42284688      8.21508379     -9.81261772
  H     18.43768009     11.75967577    -10.96756187
  O     18.00872104      6.55264535    -13.39293489
  H     13.11262287      9.57821053    -10.46805099
  H     16.75312475      7.66630329    -16.68556272
  O     11.46312467      7.77093731    -12.42775590
  H     14.50597514      8.25853599    -16.32770208
  H     16.26683604      7.31542591    -18.10816489
  O     15.75471444     13.05356018    -11.98827077
  H     13.87108801      7.98439920    -14.95430553
  H     16.10316686      9.90016326    -13.47839597
  O     12.60600163     10.15692600    -13.53546445
  H     18.78159740      8.86682473    -15.38213000
  H     15.31568391     10.08742929    -12.15121885
  O     14.01806126     11.05578825    -11.33572270
  H     17.95636936      7.69763460    -14.78828769
  H     18.18385546     12.64439280    -14.27129797
  O     17.54793059      4.16682557    -14.64940622
  H     19.72538002     10.82531833    -14.44459178
  H     18.93922367     12.50751252    -12.94263978
  O     15.70483789      6.98920103    -11.87277031
  H     20.96081079     10.18779059    -15.11957947
  H     17.44558063      9.91390072    -11.52598724
  O     18.47610913     12.71977288    -11.12173274
  H     17.97683732      5.67533564    -13.80147192
  H     18.88144187      9.45289023    -11.22804403
  O     15.98247885      7.37410227    -17.19919018
  H     17.24241317      6.61131618    -12.80741626
  H     14.37255356      6.67689045    -13.06525263
  O     16.04288182      9.60340018    -12.56442133
  H     11.86404720      8.05546395    -11.58623914
  H     12.85641180      6.89142885    -13.31611595
  O     18.99993043     12.30567464    -13.88441789
  H     10.55508399      7.54912705    -12.24114975
  H     19.32311743      7.66461156    -12.62030201
  O     18.17710974     10.02859589    -10.89956002
  H     15.88923399     13.13355437    -12.94077968
  H     20.06017500      8.92394646    -13.10645196
  O     13.68301648      6.63608991    -13.74365187
  H     16.64036914     13.03889219    -11.60620376
  H     16.78922412     10.02729464     -9.65978556
  O     19.86520602      8.40596460    -12.31690621
  H     12.99767367      9.83851467    -14.35595648
  H     15.32970171     10.53366821     -9.74838797
  O     15.92977742     10.00311471     -9.21523120
  H     12.08385827      9.41321845    -13.20721206
  H     15.39929097      5.80481873    -16.23938370
  O     15.15843670      5.10408801    -15.62205976
  H     13.46180200     10.87357795    -12.11111516
  H     14.55629774      5.50867445    -14.98405184
          69
 Energy    -248.00282975619086     
  O     17.05217757     10.06934284    -15.07384340
  H     17.70750116      9.35449523    -15.06240222
  H     17.54190283      3.38941688    -14.61668945
  O     14.27233678      7.86035680     -9.27922818
  H     16.24177466      9.69401570    -15.44455979
  H     15.69822841      8.03758983    -12.02270873
  O     12.28051374      9.11406089    -10.90459896
  H     14.20949682      7.50760718     -8.39572555
  H     15.10132280      7.22552974    -10.84645714
  O     14.73884777      8.72189457    -15.81141119
  H     14.66604796      8.74779361     -9.20088645
  H     18.01884157      5.47450333    -16.10003108
  O     18.91854398      8.05342445    -14.76540295
  H     12.85456815      8.61730228    -10.30981863
  H     18.52751396      6.91836235    -16.16077540
  O     20.82160136      9.62716742    -13.44395747
  H     12.75504496      9.92683491    -11.12144777
  H     18.71458368     13.30761695    -10.86552886
  O     17.97300238      6.37654588    -12.75367917
  H     15.00450189      8.18220364    -16.56671948
  H     18.09100855     11.90285382    -11.03476630
  O     11.42944512      8.13623434    -13.26988879
  H     14.46907224      8.09384888    -15.12559328
  H     16.60706116      6.66836846    -17.41010396
  O     15.49995722     13.46660445    -12.14288949
  H     19.68402065      8.51900149    -14.40816608
  H     15.68600410      6.77072093    -18.64820233
  O     12.94285989     10.35421051    -14.28773686
  H     18.56892202      7.49808184    -14.05268152
  H     16.39945487      9.85168187    -13.42701451
  O     13.87789943     11.27323112    -11.89186768
  H     20.25660751     10.40706998    -13.58955894
  H     15.28180278     10.21788337    -12.38900035
  O     17.42915876      4.33599692    -14.63754400
  H     21.71456015      9.88951690    -13.65007719
  H     18.31961290     11.29649579    -14.37119719
  O     15.49157693      7.13689237    -11.72336915
  H     17.84902820      5.60294132    -13.31903288
  H     18.72833040     12.12750039    -13.12512569
  O     18.14150162      6.21710466    -16.70368379
  H     17.11805862      6.55039259    -12.33626016
  H     17.21714924     10.03439942    -11.27719397
  O     18.13530011     12.79400963    -11.42320572
  H     11.65908612      8.44386553    -12.37405021
  H     18.51612410      9.55953435    -10.60488115
  O     15.69717383      6.86225146    -17.69935023
  H     10.49538394      7.94711597    -13.26826538
  H     14.35769393      6.86240479    -13.11840262
  O     16.06189294      9.67019458    -12.54110734
  H     15.53678222     14.15804945    -12.80046697
  H     12.95052516      7.17716613    -13.71177332
  O     19.07633234     11.66462594    -13.89544044
  H     16.41764056     13.28731606    -11.89149870
  H     19.13917836      7.51080972    -11.64680588
  O     17.82820380     10.23679878    -10.55017682
  H     13.53575355      9.96026114    -14.93936904
  H     20.11184931      8.67511986    -11.92768183
  O     13.82749285      6.83669151    -13.92671781
  H     12.31291819      9.65874515    -14.05989220
  H     16.22343522     10.37103568     -9.59549477
  O     19.59759121      8.25028174    -11.22939105
  H     13.49666963     11.06363505    -12.76160633
  H     14.82629718     10.85759107    -10.04337097
  O     15.28853156     10.38205186     -9.34613061
  H     14.34349185     12.11859840    -11.97151618
  H     15.11107846      5.51518619    -16.42007640
  O     14.98617247      4.97535901    -15.63072737
  H     16.52213069      4.50296046    -14.95193462
  H     14.48306144      5.52732082    -15.01524162
          69
 Energy    -248.00268660830690     
  O     17.35952236      3.92549871    -14.88868760
  H     17.04971911      4.78895459    -15.19138831
  H     17.02516378     10.86462241    -15.69676933
  O     19.07768862      8.31363134     -9.77288624
  H     16.57517862      3.45007831    -14.58752093
  H     15.23021620      8.48638609    -18.04799084
  O     13.03620516     11.34960393    -11.12727980
  H     19.99793322      8.22053844     -9.53718484
  H     15.96637299      9.05463578    -16.80817227
  O     17.68328177      8.39425376    -13.72051154
  H     18.90922340      7.64728965    -10.45529815
  H     15.15340298      8.70915544    -11.70015979
  O     19.02323345      3.97571281    -12.74266721
  H     12.54010171     10.52435084    -11.07201803
  H     14.39992223      8.38750729    -13.00199688
  O     11.91170411      8.67121974    -10.94856256
  H     13.70650244     11.28959101    -10.43415052
  H     15.59367634      2.85203320    -12.71439545
  O     12.67655529      7.63395096    -13.33139705
  H     18.09671933      7.77783617    -13.10112414
  H     14.65905660      1.93484172    -13.54218304
  O     18.24225711     11.09821298    -12.76372411
  H     16.80444372      8.59278075    -13.35422980
  H     15.91993152     10.78820405     -9.49378283
  O     14.51842928      8.21166190     -9.98191843
  H     19.81836049      3.47752517    -12.91069629
  H     15.09932485     11.25124519     -8.26577513
  O     16.29446172      6.51189764    -15.33475408
  H     18.49546617      3.94922467    -13.56111123
  H     15.24259048      5.85441560    -11.87170481
  O     18.35570418      6.52199560    -11.79706910
  H     11.01933648      8.42791442    -10.71706890
  H     15.33410247      6.63411598    -10.52888354
  O     17.20575822      9.98482880    -16.05200775
  H     12.08953203      8.28651579    -11.82500904
  H     13.79340148     11.50359719    -12.78850682
  O     15.25710860      8.45049492    -17.09548020
  H     12.71362582      8.16461464    -14.14291148
  H     14.77522684     10.44527010    -13.27399890
  O     15.20840946      8.78960959    -12.66039815
  H     13.13113879      6.79317266    -13.47564785
  H     17.71870679     10.84790613    -11.04328791
  O     15.08809607      2.78576954    -13.54485168
  H     17.73890986     11.62211242    -13.39793086
  H     18.00636250      9.78943822     -9.95384642
  O     15.02071945     10.82567877     -9.11468364
  H     18.23971875     10.19588656    -13.10165705
  H     16.45353495     13.30399722    -14.88294675
  O     15.74136056      5.92747419    -11.04631506
  H     14.74815767      9.03736161     -9.53575653
  H     15.70214306     12.08382758    -14.29764788
  O     14.33647938     11.26264265    -13.55199438
  H     13.58024619      8.28269925    -10.20586596
  H     15.04910432      5.86030155    -14.18470720
  O     17.43247505     10.53428453    -10.17528037
  H     16.85807118      7.10200506    -14.81817095
  H     14.48872850      4.54872321    -13.57291665
  O     16.54044125     12.37272531    -14.69837891
  H     15.89206582      7.05429029    -16.02465564
  H     17.49932520      3.40259906    -11.67222375
  O     14.41962785      5.51054388    -13.53749177
  H     18.71312877      5.67851178    -12.10000425
  H     16.29501434      4.12031061    -11.03128323
  O     16.60463192      3.25775556    -11.34077163
  H     17.44940753      6.34991088    -11.49950970
  H     13.83926205      9.09301496    -15.99839923
  O     13.15701139      9.35418500    -15.36830142
  H     17.55781961      9.46610653    -15.31827519
  H     13.48132943     10.13700969    -14.90555474
          69
 Energy    -248.00268582497449     
  O     -0.95723528     12.22717487      8.00945322
  H     -1.16708965     11.34371722      8.33675680
  H     -0.10507754     11.26281002      5.06266424
  O     -6.02862108      9.33812860      6.37060225
  H     -1.74761846     12.77149976      8.10786208
  H     -4.33192632     14.20365914      5.12895604
  O     -1.36150931     14.31424353      4.04143858
  H     -6.58102467     10.12269709      6.27827756
  H     -3.51548805     14.69049308      6.35483528
  O     -4.05681841     10.38814598      8.08002706
  H     -5.43863822      9.53481674      7.11177115
  H      1.01077881      9.22758386      3.93690016
  O     -7.25834450     11.96316119      6.21005036
  H     -0.91420603     13.59685387      4.51319590
  H     -0.39987506      9.70560625      3.51682284
  O     -1.53090055      8.35689392      6.16788280
  H     -2.17183194     14.51637855      4.53102367
  H     -6.22730379     12.54593182      7.74929583
  O     -4.34574837      9.54996751      2.01868737
  H     -3.75248401     10.77840438      7.24577170
  H     -5.07708172     11.83581811      8.47685477
  O     -4.63360930     12.29621009      1.86321499
  H     -3.27638299      9.98021979      8.47068026
  H     -1.70011445     13.26631141      2.58536987
  O     -1.49711142      9.46440602      8.64879758
  H     -8.11330470     12.28187607      5.93226019
  H     -1.90214616     13.43087709      1.05957088
  O     -3.91810004      8.74829577      4.70496592
  H     -6.61389588     12.28769873      5.55785537
  H     -0.66518538     17.11611496      2.61426585
  O     -1.49854537     10.05825802      2.22912911
  H     -0.88188992      8.69877424      5.54066273
  H     -1.20397527     15.71266701      2.97751504
  O     -0.47210986     12.10762673      5.34675553
  H     -2.36466416      8.30266877      5.68253031
  H     -1.71788024     15.36874930     -0.73362177
  O     -3.69862521     14.87349436      5.42520818
  H     -4.80437225      9.10074210      1.31250002
  H     -1.78648495     15.61504681      0.79012520
  O      0.19662150      9.58731280      4.27862878
  H     -4.56911233     10.49162329      1.93728178
  H     -3.14599925     14.72080511      8.82294672
  O     -5.52799191     12.69001311      8.39639706
  H     -3.66961229     12.38227201      1.88672455
  H     -4.07888471     13.63974350      8.23505367
  O     -1.88488449     12.77879887      1.77050374
  H     -4.93944949     13.13348424      1.48396668
  H     -4.79131355     15.44794653      1.72484833
  O     -1.28258846     16.44331311      2.33902139
  H     -1.48153424      9.03066393      7.77605901
  H     -4.06700638     14.93971281      0.47699963
  O     -2.09591880     15.03427966      0.07603829
  H     -1.06212620      8.87350662      9.25696434
  H     -3.21111428     16.66042931      2.85667825
  O     -3.22645134     14.09321789      8.10814959
  H     -4.73549443      8.84707873      5.21910658
  H     -4.06341104     16.07193744      3.98821568
  O     -4.89405104     14.85729924      0.96391524
  H     -4.13361345      8.91367336      3.77999643
  H     -3.30483952     10.39648233      5.20143489
  O     -4.12163869     16.48542858      3.11720322
  H     -2.39995342      9.73973610      2.11518719
  H     -2.26762981     11.54304714      5.46445591
  O     -3.19125772     11.28796983      5.56081454
  H     -1.52188071     10.99744530      1.99757243
  H     -4.52250146     12.21199330      4.94772053
  O     -5.23558440     12.73638934      4.54648722
  H     -0.48816507     12.14205899      6.31681292
  H     -5.15114740     12.62380424      3.59213258
          69
 Energy    -248.00267086677155     
  O     13.81911172     11.40401310     -8.91540898
  H     13.99587359     11.40949858     -7.97844176
  H     16.52248881     14.22960076    -17.88744249
  O     10.89910946     10.74345565    -15.28507848
  H     14.43132347     12.04505576     -9.32102613
  H     13.09910207     13.31259241    -12.75189747
  O     14.37849883      9.04611222    -10.51772766
  H     11.26636554     10.93178055    -16.15790790
  H     13.14193761     14.60533616    -11.91613862
  O     11.58407667     11.94195520    -10.52046766
  H     10.77478310     11.59753425    -14.84703539
  H     11.77528050     13.24700205    -16.91041747
  O     11.76302992      9.30924265    -11.56477390
  H     14.32119298      9.79507822     -9.91378146
  H     11.09543711     13.88396963    -15.67711866
  O     13.09418114      9.72757913    -13.95173398
  H     13.46813608      8.89938262    -10.80886992
  H     13.74146406     11.40713131    -13.85599739
  O     14.73502245     15.54986264    -11.47888348
  H     12.26103574     11.76253052     -9.85500380
  H     14.94250544     12.18998716    -13.24825316
  O      9.48611458      9.50313247    -13.11699162
  H     11.92674495     12.66469163    -11.06643352
  H     17.23998575     12.99488546    -15.68908091
  O     14.24279157     14.29564721    -15.62411454
  H     10.93189138      9.17616000    -12.04360729
  H     17.40173503     11.62088939    -15.04675427
  O     14.91728381     11.08854094    -17.13582349
  H     11.71400295     10.19837792    -11.18854896
  H     12.09960960     11.24451592    -18.50939541
  O     10.46937611     13.20379985    -13.95811034
  H     12.68603123      9.52992784    -13.09543395
  H     13.19491374     11.32705708    -17.42376578
  O     16.30023891     13.57748862    -17.22859872
  H     12.36487803      9.96957107    -14.53668141
  H     14.77206990      9.30557047    -13.43797193
  O     12.54658471     13.91551684    -12.22838523
  H     15.29049804     15.42616194    -12.26849064
  H     15.35549500      9.04036333    -12.04533421
  O     11.64354029     14.08369152    -16.44610045
  H     14.87252400     16.44731010    -11.18723837
  H     17.41339498      9.12964088    -15.67279850
  O     14.11519396     12.28884844    -13.73525327
  H      9.84255165      9.78671861    -13.96889313
  H     16.49041011      9.51226263    -14.49848825
  O     17.51496986     12.56549773    -14.86903378
  H      9.17692949     10.30898026    -12.68468608
  H     16.32923497     10.87238687    -12.48902321
  O     12.25571665     11.50451967    -17.60486159
  H     14.22291169     13.53060544    -15.02808082
  H     17.03417848     12.10036779    -13.14782244
  O     15.61271767      9.21573478    -12.96296040
  H     13.34031915     14.40219344    -15.95254103
  H      8.38173986     12.28484389    -11.17059617
  O     16.85677227      9.83013997    -15.33958294
  H     15.45214252     10.56413663    -16.53102143
  H      9.89550492     11.98540805    -11.21756657
  O     16.53536719     11.81015238    -12.37239768
  H     15.42597506     11.89365036    -17.29590719
  H     16.78690766     14.39012255    -13.96316210
  O      9.08786722     12.02188113    -11.75608834
  H      9.81709189     12.88352981    -13.32350344
  H     15.46343562     15.00442161    -14.43486690
  O     16.15731415     15.08793830    -13.76410105
  H     11.17251878     13.59228541    -13.41837291
  H     15.23896902     13.98921317    -10.50311771
  O     15.47435099     13.12026367    -10.15975554
  H     15.53359338     13.92144400    -16.73561294
  H     15.95140391     12.67077834    -10.87154378
          69
 Energy    -248.00265584846488     
  O     14.28648121      8.17117244     -9.81380888
  H     13.86591765      9.01912256    -10.01936720
  H     13.85413062      7.08857113    -17.07489293
  O     17.13750521      5.17351428    -13.67570910
  H     15.21437279      8.37845625     -9.62503821
  H     17.62469913      8.48792339    -15.82317020
  O     13.31720546     10.54941875    -10.91782298
  H     16.39677430      4.64275127    -13.35455284
  H     18.18307116      7.09414130    -16.08258396
  O     15.62919864     11.67680103    -12.31339499
  H     17.11303543      5.17574312    -14.64063259
  H     14.74335714     11.38645357    -13.95671779
  O     11.36354430      7.68127370    -15.14313239
  H     12.71692990     10.38702825    -11.65600793
  H     14.88271842     10.31365817    -15.06403936
  O     18.00591478      6.05612950     -9.71244838
  H     14.09844328     10.95630109    -11.31062603
  H     15.21172949      7.62449544    -12.75228657
  O     13.30618582      5.65691589    -14.26989000
  H     15.93166030     12.50859962    -11.95538063
  H     16.49254905      6.84094862    -13.19976623
  O     12.15450508      9.73917530    -13.42645261
  H     16.36826732     11.05342335    -12.22090835
  H     14.83453706      6.29342367    -10.05845101
  O     12.75146870     10.88087067    -17.02082463
  H     11.79188753      6.85849901    -14.88124389
  H     16.21703620      5.62157404    -10.11267985
  O     17.04274507      5.50038391    -16.47102090
  H     11.65092721      7.84602408    -16.04881111
  H     19.47205890      7.02072091    -12.56307858
  O     15.80461681      8.87470136    -15.50496767
  H     18.49371353      6.10734172    -10.55311012
  H     18.60242896      5.74946619    -12.71315419
  O     14.52335809      6.60660518    -16.57339137
  H     18.57695244      5.61480712     -9.08927607
  H     14.69282951      3.07617611    -12.25930951
  O     18.44747635      7.98024039    -15.81392877
  H     13.72506086      4.90533926    -13.83750414
  H     14.95226676      4.51212177    -11.75436358
  O     14.31353230     11.03129045    -14.74349063
  H     13.30190023      6.34488887    -13.58378503
  H     17.04428949      9.01311382    -12.34098994
  O     16.12371504      7.72033442    -13.05722738
  H     11.73639470      9.10997112    -14.03261207
  H     18.45834369      9.58111704    -12.49402775
  O     15.28969841      5.49618735    -10.35255600
  H     12.83762491     10.20321689    -13.92805672
  H     19.35457728      8.41518774    -14.36617983
  O     19.22464664      6.19897351    -12.12427249
  H     12.11735002     11.59410859    -17.04158676
  H     20.67834937      8.92123112    -13.75284573
  O     14.86729421      3.96504764    -12.55730698
  H     13.31361972     11.05157285    -16.24897546
  H     17.40599761      7.83718089     -9.49565414
  O     17.60720015      9.76166674    -12.08070342
  H     17.20229712      4.91024768    -17.20349980
  H     17.30744285      9.15891093    -10.28039993
  O     19.79158285      8.65041070    -13.52895374
  H     16.15118450      5.86651316    -16.59710538
  H     12.64541846      9.18785378    -17.51389664
  O     16.98079981      8.70428421     -9.49489763
  H     15.33211449      8.18140981    -15.98123858
  H     12.08818212      8.18699087    -18.55103322
  O     12.54664679      8.24153683    -17.71613298
  H     15.95448464      8.51532751    -14.61551952
  H     13.00849087      8.34017848    -12.67449437
  O     13.47489417      7.55784221    -12.35090285
  H     14.09197329      6.25081605    -15.78082907
  H     13.67573591      7.70668247    -11.41686478
          69
 Energy    -248.00237094103016     
  O      3.68155230      1.25326475      6.72044682
  H      4.34256722      1.40188103      6.02070072
  H      2.25377497     -0.21778130      3.75148819
  O      1.80494417      3.70017745      0.10612410
  H      4.14792768      0.88433680      7.46570173
  H      2.91826269      3.84006748      1.51529155
  O     -1.00911749      3.95953916      0.11969299
  H      0.86753896      3.91600304      0.02371884
  H      3.83258174      2.78816865      2.21501189
  O     -0.50504960     -1.95224814      1.34019980
  H      2.04964885      3.12909879     -0.63891743
  H      2.84728287     -2.30409396      0.18156506
  O      4.76422124      0.33453321     -0.61853431
  H     -1.56629387      4.62584340     -0.27328010
  H      2.16553425     -1.32034336     -0.77504974
  O      0.54239266     -0.33904920     -0.72578316
  H     -1.28064504      3.10359909     -0.26207115
  H     -3.56724564      1.39075951      4.05846508
  O      1.24878291      3.30479444      4.15571031
  H      0.27035426     -2.51994189      1.40040130
  H     -2.28315532      1.70783184      3.25345979
  O     -1.03909905      2.81781911      2.70952163
  H     -0.57036642     -1.53634885      2.21612424
  H      0.22273359      1.60041115      1.87443027
  O      5.42477238      1.86712708      4.72086911
  H      4.21043722     -0.46732084     -0.59504081
  H      1.40106844      2.11063985      1.01288029
  O      4.85113071      4.65281341      4.42750609
  H      5.51431014      0.13411284     -1.17287903
  H     -0.97102806      0.94201004     -1.09570312
  O      2.79326550      3.98394592      6.32400943
  H      0.74680708      0.30822174     -0.03091322
  H     -2.22466002      0.97045238     -0.22944382
  O      2.52715769     -0.46630282      2.85886112
  H      0.05127061     -1.01826799     -0.24374286
  H      3.96961318      0.51434398      2.39247787
  O      3.39423452      3.64329628      2.33356710
  H      1.62536931      3.64124583      4.98158335
  H      4.80458889      0.92679609      1.15965184
  O      3.01781007     -1.72724150     -0.57304921
  H      1.94577441      3.38633615      3.49157713
  H      3.29398229      1.31100605     -1.36948694
  O     -2.89033626      0.99418455      3.51696479
  H     -1.06207286      3.34611508      1.90193469
  H      1.81660525      0.99772296     -1.66646593
  O      1.02012861      1.31826571      1.41154723
  H     -0.30480864      3.12263489      3.26337034
  H      2.41469838     -3.67292089      2.41367934
  O     -1.68277274      1.52383701     -0.81291389
  H      5.39631022      2.83111596      4.67048661
  H      2.31628723     -2.13737459      2.25730582
  O      4.62983079      1.15116419      2.08148146
  H      5.31581385      1.55210680      3.81493608
  H     -2.18981595     -0.97185808      1.03904747
  O      2.46251784      1.71120905     -1.65577441
  H      4.33920635      4.41692766      3.63477379
  H     -2.98567397      0.09202260      1.82205398
  O      2.15955213     -2.98447875      1.80501535
  H      5.34326816      5.44093535      4.21263778
  H     -1.49326779     -0.21500835      3.87443834
  O     -2.83892243     -0.26521654      0.93786019
  H      3.53371346      4.33032726      5.80920862
  H     -0.04111028     -0.33947787      4.39036334
  O     -0.69827764     -0.76046880      3.82469567
  H      3.07186888      3.11005433      6.62453680
  H      1.30284939      1.53515961      4.77662330
  O      1.44205595      0.64918062      5.13914976
  H      1.98038753      0.07927011      2.27162730
  H      2.14079683      0.74361697      5.79893605
          69
 Energy    -248.00236339888642     
  O     12.65680625      9.92004613    -11.68230030
  H     12.07622646     10.65394959    -11.91707187
  H     14.12589143      9.31598814    -12.65308084
  O     13.25299855      6.97616559    -14.11576791
  H     12.10957567      9.24430602    -11.26350295
  H     14.35998308     14.22680961     -8.35748451
  O     10.97200850     12.10668200    -12.15231235
  H     13.01804774      6.67889797    -13.22767265
  H     14.25298386     14.43460177     -6.82810034
  O     14.61289677     10.30476224     -9.84638747
  H     12.64099541      7.68431459    -14.35676342
  H     11.37764897     12.16217540     -9.03076796
  O     15.27747841      7.70176103    -10.53537798
  H     11.68877693     12.69356973    -12.42697502
  H      9.86199840     11.91167404     -9.25056368
  O     13.03944791     15.92472454    -11.32675722
  H     10.77390516     12.30982234    -11.22759561
  H     11.81470925     10.02729512     -7.77719487
  O      8.63059463      8.69753834    -11.18375695
  H     13.87450238     10.26007067    -10.47648668
  H     11.34403802      8.88001911     -6.85808675
  O     13.22638357     13.54978359    -12.80924793
  H     14.99003783      9.41510812     -9.85380000
  H     15.85207203     12.00333496    -12.31858939
  O     15.14422982     14.62613947     -9.85908678
  H     14.55058136      7.07778228    -10.63922319
  H     15.29145366     11.66479835    -10.90623225
  O     11.15405375      8.00338947    -10.26004622
  H     15.38756332      8.07039785    -11.42289716
  H     11.61987902      9.25579012    -15.97962487
  O     11.64401040     15.08541641     -9.15619036
  H     12.85700951     16.84089794    -11.51619765
  H     12.39044697     10.07886352    -14.93234944
  O     14.88954496      8.89647061    -13.07672173
  H     12.46927949     15.67279350    -10.57791745
  H      9.97167501     10.83496908    -12.97627219
  O     13.81709043     14.02869355     -7.57260681
  H      7.81657769      8.25973304    -11.41627226
  H     10.32068512      9.67006327    -13.91774452
  O     10.58628350     12.52043049     -9.45396211
  H      8.94257837      9.15700705    -11.98535902
  H      9.54393995      9.96878733     -8.39894132
  O     11.23800629      9.24661645     -7.73265164
  H     13.97139845     13.13725711    -12.34980125
  H      8.68409778      9.89182742     -9.67556530
  O     15.45945568     12.38842857    -11.52514851
  H     13.13237067     14.43302011    -12.43143811
  H     13.27237290     12.29778673    -14.26621396
  O     11.80287627      9.31191565    -15.04385129
  H     14.55550876     15.17564615    -10.39080119
  H     14.41665993     11.36853776    -14.66559501
  O      9.64464017      9.98519592    -13.30631134
  H     15.40265072     13.88783004    -10.42685600
  H     15.84108110     10.21934230    -13.63609224
  O      8.87262107     10.44214449     -8.90542671
  H     10.25042334      8.15105731    -10.57156539
  H     17.01402052     10.89489558    -14.39068070
  O     13.46966141     11.50601311    -14.78163151
  H     11.21774131      8.36357376     -9.36624074
  H     12.66312054      5.27972721    -11.09249081
  O     16.21200907     11.07857328    -13.90926541
  H     12.30286168     14.84155649     -8.49515230
  H     12.23167093      6.75201112    -10.91835235
  O     12.89323032      6.17443532    -11.33275157
  H     11.10338186     14.29334329     -9.28122649
  H     13.54356071     11.06159875     -8.63988608
  O     12.84486311     11.45622278     -8.09657517
  H     14.52312804      8.15079031    -13.57147920
  H     13.17524358     12.31170701     -7.79434458
          69
 Energy    -248.00235246420488     
  O     17.56716156      9.64635965    -14.74186377
  H     17.68579307     10.60475162    -14.83223805
  H     12.02656320     11.92432791    -10.18920677
  O     14.00427231      7.60028842     -9.46621863
  H     16.81862647      9.36624152    -15.28241340
  H     18.36941144      4.64042995    -13.36062951
  O     17.91111933     12.34224136    -14.61274777
  H     13.96099602      6.83495640     -8.89906543
  H     16.98496814      4.48033718    -12.71188349
  O     12.43346358      8.68564682    -11.64403703
  H     14.70598314      7.43039613    -10.11763987
  H     16.78136411      7.10094945    -11.30068150
  O     15.28794922      8.63178148    -16.04195409
  H     17.20222763     12.85580614    -14.20915963
  H     15.83960912      8.21775040    -11.81873559
  O     19.39627732      7.94237014    -13.62312091
  H     18.66840259     12.43557020    -14.01915821
  H     19.40966729      5.06233687    -15.71114048
  O     20.41907217      9.94658287    -11.93866716
  H     12.84522435      8.22885298    -10.90236452
  H     18.08925398      5.72551671    -15.24630370
  O     18.56387484      6.75915020    -11.26058608
  H     12.35831889      9.60401058    -11.35629335
  H     18.53356900     12.98532367    -11.51704302
  O     15.96925359     13.78820495    -13.02207865
  H     14.92585092      8.87597677    -16.88971332
  H     17.53424540     12.36030665    -10.52084489
  O     13.42006555      9.26241487    -14.21114144
  H     14.59168772      8.80426717    -15.38225687
  H     16.02765082      6.94014471    -15.74295892
  O     14.15998519     11.67305317    -13.01560320
  H     19.41208587      7.12247139    -14.13167612
  H     15.92141296      5.76664417    -14.74594713
  O     12.67138184     11.41984538    -10.67708706
  H     18.77356366      8.53671826    -14.06954399
  H     16.73121586      9.80600166    -13.14154311
  O     17.93002844      4.41228821    -12.53062465
  H     20.13006605      9.61881526    -11.07993760
  H     15.44408781     10.44852535    -12.55623574
  O     15.85287121      7.32237978    -11.44958274
  H     20.21172783      9.25106980    -12.57693625
  H     20.15301990     11.59249410    -12.39833482
  O     18.99947535      5.50529961    -14.97350970
  H     18.42592504      5.83871268    -11.52583386
  H     20.81010554     12.95366419    -12.71796732
  O     17.70427666     13.15038211    -11.04975406
  H     18.86003879      7.22261315    -12.05918645
  H     16.87700921     10.36958788    -10.77722535
  O     16.42323016      6.09367216    -15.50355333
  H     15.87464499     14.73593794    -13.06376725
  H     17.90036035     10.03854254     -9.66142312
  O     16.19068354      9.87400735    -12.34448984
  H     16.54973125     13.59701295    -12.26272690
  H     14.27690055      4.97668505    -13.00829140
  O     19.96651013     12.51461880    -12.64921459
  H     13.60487160     10.18374658    -13.98194562
  H     15.33415063      6.00078766    -12.54070786
  O     17.17587278     10.63082046     -9.89129877
  H     13.03666101      8.88579793    -13.40836787
  H     19.80527701      8.46302872     -8.80264096
  O     15.19281122      5.22464616    -13.10754023
  H     13.61305509     11.71457739    -12.21876498
  H     19.04742102      7.97501292    -10.05810708
  O     19.29946163      8.76633864     -9.55254893
  H     14.70730956     12.46809681    -13.04650262
  H     15.45437039     10.50731320     -9.18395254
  O     14.51458443     10.37376096     -9.00280519
  H     13.33430096     11.11187683    -10.03254056
  H     14.36192832      9.42106364     -9.03137353
          69
 Energy    -248.00234054580318     
  O     20.87947495     12.73778474    -18.37934713
  H     21.58177631     12.38003021    -18.91757749
  H     14.86364738     13.34360046    -13.99385912
  O     17.42673431     17.23084926    -13.59377877
  H     21.27007390     13.47484004    -17.87906014
  H     21.72592695     15.91484418    -13.96123626
  O     21.91075279     13.12544393    -13.01105513
  H     18.31220596     17.04584738    -13.25908883
  H     23.22244132     16.24184984    -14.15510747
  O     16.06503659     14.79322997    -13.67930062
  H     17.57973178     17.72671560    -14.40747223
  H     18.49779307     12.72643806    -13.37554771
  O     16.74617887     12.65216965    -17.74573260
  H     22.29716070     13.90800820    -13.42497272
  H     17.32948737     12.06881086    -12.59760953
  O     16.27303003     10.60022456    -12.91983760
  H     21.36320335     13.44979386    -12.28529101
  H     17.64074502     10.17404458    -15.97214723
  O     14.61714533     11.24281568    -16.62489607
  H     16.42646936     15.68607617    -13.57607204
  H     16.09633707     10.20675751    -15.95571746
  O     21.95032536     14.91490982    -17.08527608
  H     16.70440626     14.18526371    -13.28480703
  H     17.16477923     17.19439644    -18.57809557
  O     19.74100257     12.63436199    -14.62789739
  H     17.50190599     12.15307335    -17.40344146
  H     16.40725420     16.60406275    -17.36825239
  O     18.54600296     13.96222317    -19.47070816
  H     15.95225076     12.15962238    -17.50392369
  H     19.97519108     15.54716762    -12.56183233
  O     20.12364652     17.01790063    -17.40150310
  H     16.54479104     10.28842185    -13.80213675
  H     19.62224730     15.80627833    -14.06375524
  O     14.50728961     12.47134913    -14.20387939
  H     16.07433253      9.82422216    -12.40310499
  H     18.09875401     19.57802378    -16.01537443
  O     22.55849859     15.57973284    -14.33319686
  H     14.50366463     11.73267569    -15.79043742
  H     17.56560111     18.27746321    -16.66146197
  O     17.87267106     12.86474721    -12.64633706
  H     13.74752855     10.97578584    -16.90929204
  H     19.08443014     13.70115775    -11.64815913
  O     16.86779204      9.88569381    -15.47147498
  H     22.23556462     15.03074690    -16.17178741
  H     19.68643127     14.27238911    -10.34355389
  O     16.60557153     17.43332172    -17.82897606
  H     21.48396974     15.73139979    -17.31146713
  H     19.64157501     11.57995585    -17.45001445
  O     20.06424200     16.18221557    -13.28507481
  H     20.57129082     12.68832833    -14.13553258
  H     19.24843543     11.63131956    -15.97390319
  O     18.20115418     18.62962865    -16.01151030
  H     19.58521763     13.49121723    -15.05502278
  H     18.13980991     15.11242813    -15.87800944
  O     19.83311666     14.20299165    -11.28337279
  H     17.82358164     13.52526079    -19.00194939
  H     19.54277930     15.61147063    -16.29460821
  O     18.98348016     11.25104684    -16.82683540
  H     19.35938124     13.54322478    -19.16396824
  H     18.54686106     15.66114709    -19.68141094
  O     19.07498841     15.07946539    -15.64046702
  H     19.65847527     16.93462879    -18.24560335
  H     18.67401041     16.86539383    -20.64519498
  O     18.58775606     16.63410826    -19.72470167
  H     19.61288750     17.64331773    -16.87157015
  H     16.14017090     14.91185287    -15.49951180
  O     16.40243242     15.05902173    -16.41812330
  H     14.99280110     11.84583275    -13.65151473
  H     16.45497346     14.20474330    -16.86776308
          69
 Energy    -248.00228773337261     
  O     10.10374849     12.42871033     -9.96944951
  H      9.24895806     12.75039772     -9.69169345
  H     16.26764295      9.77399617    -12.27948506
  O     11.40352152      8.47853519    -16.20278402
  H     10.09072461     12.41107901    -10.94059230
  H     13.70180348      7.63533810    -12.70584526
  O     11.31715454      9.81764000    -10.01964466
  H     10.49980169      8.59960338    -15.88532666
  H     14.30111374      6.28484448    -12.25014544
  O     12.94142347      8.63051209    -13.94812857
  H     11.67835421      9.34011505    -16.54331208
  H     13.47109761     14.48787938    -10.55867096
  O     12.31029006     11.14539286    -16.72633961
  H     10.82373449     10.60515489     -9.76746473
  H     14.04345082     15.72066442    -11.29725044
  O     10.57582990      9.27310169    -12.60677140
  H     12.18686438     10.14058587    -10.31307843
  H     12.39134071      8.36348087     -9.44799788
  O     14.68795099      9.10152143     -7.42324457
  H     12.45437522      8.40772653    -14.75571164
  H     13.49066691      7.55512371    -10.17028771
  O     13.69506414     10.84499879    -10.86967335
  H     13.42645278      9.44521194    -14.13440415
  H     16.57296287     11.83277774    -12.92154250
  O     14.10543744     11.75885615     -8.26949263
  H     12.66468817     11.55555016    -17.51179824
  H     17.60190424     11.18806824    -13.88259844
  O     16.27760005     13.04035059    -11.75407766
  H     13.02622549     11.13768425    -16.07020276
  H     10.40131990     11.11027276    -12.62224830
  O     12.99112656     12.69616208    -12.88326795
  H     10.73605292      9.30379520    -11.65383268
  H     10.05006148     12.20685520    -13.63580411
  O     15.94287946      9.31879148    -11.49297986
  H     11.41781883      9.05242862    -13.02910376
  H     17.08527647     11.40258586     -9.05669052
  O     14.17231092      7.19115547    -11.98045438
  H     14.16429001      8.59389355     -8.06656064
  H     15.91673359     12.32649284     -8.72498727
  O     13.95837282     14.77301373    -11.35287397
  H     14.65369606      8.61610221     -6.60288374
  H     15.09600896     11.03274955    -14.43626973
  O     13.16258073      7.80087628     -9.29806654
  H     13.57092330     11.51115080    -11.55515059
  H     13.73965552     11.69263276    -14.08526765
  O     16.71274739     11.09860598    -13.55088213
  H     14.50906214     10.36047473    -11.05730958
  H     10.65453565     11.70227404    -15.88759475
  O     10.29062926     12.06797198    -12.70822381
  H     13.99749204     11.49381895     -9.19634126
  H      9.41769174     10.97308275    -15.33665495
  O     16.77607737     12.31348446     -9.16198089
  H     14.27180365     10.93618656     -7.79488391
  H     16.37917554      9.34416310     -8.35575939
  O     14.16068950     11.04440645    -14.67287275
  H     16.53939626     12.79973715    -10.85086509
  H     16.79829012      9.39132489     -9.83254148
  O      9.83712636     11.84122201    -15.39409205
  H     15.57855492     13.69326811    -11.65925384
  H     11.69352799     13.38841370     -9.43859959
  O     17.12348713      9.54655130     -8.93524415
  H     13.26380811     13.51565238    -12.45040591
  H     13.05406072     13.19017204     -8.73374999
  O     12.53598583     13.81930447     -9.25632629
  H     12.03229739     12.60670905    -12.80997470
  H      8.13074508      8.71592605    -14.71705715
  O      8.97101058      9.14728944    -14.85007466
  H     15.47101084      8.51867239    -11.75576372
  H      9.43262126      9.13106637    -13.99475310
          69
 Energy    -248.00212838211203     
  O     15.91168322      9.27177120    -16.48344616
  H     16.35588524      8.99089633    -15.67198217
  H     12.50788701      9.93030456    -15.74716232
  O     14.74181729     12.72845195    -15.42817225
  H     15.02414447      9.54467276    -16.22303792
  H     17.47885448     10.39641010    -18.97978545
  O     20.03978308     10.07391575    -10.47868427
  H     15.52011508     12.35037324    -14.98731253
  H     16.79378973     10.26977290    -17.59975567
  O     20.54737759     12.40973850    -11.80409184
  H     14.14959872     11.98726797    -15.59434307
  H     20.28201945     16.32014590    -14.11969698
  O     13.75507046     10.37429643    -12.84105831
  H     20.29584745     10.93314390    -10.85701950
  H     19.06274027     16.04132402    -13.22316046
  O     17.26106683     10.62968076    -10.49032851
  H     20.72478579      9.83062553     -9.86138350
  H     20.36068167     11.47813362    -14.99748027
  O     17.11453623      8.85394168    -13.96614536
  H     20.71245097     12.06024860    -12.69332464
  H     21.64445779     12.18996778    -14.50250422
  O     16.28161983     13.52983458    -17.67178920
  H     21.03120911     13.24121086    -11.72635108
  H     16.21128693      9.42510545    -11.11712326
  O     18.43736205     14.40188054    -16.20744938
  H     14.35253480      9.77208125    -12.37522953
  H     15.50122079      8.06331639    -10.90625186
  O     21.84540819     14.86643906    -11.90496459
  H     13.95619911     11.24791938    -12.50766977
  H     19.91093821     15.37296845    -16.10063308
  O     18.91168062     11.68618239    -16.01314922
  H     17.30856515     11.51368318    -10.87723193
  H     20.93407302     16.38563030    -16.66223786
  O     13.38255861     10.25027759    -15.54263664
  H     18.17865374     10.35507433    -10.36705988
  H     17.78440380     14.87898698    -14.52197319
  O     17.31890383     10.86496464    -18.16513376
  H     16.62548224      8.65205248    -13.16012130
  H     16.51684537     15.25452346    -13.71359142
  O     19.98422418     16.33118919    -13.20092739
  H     18.05827282      8.87158944    -13.74081086
  H     22.36366299     14.20961373    -13.67682724
  O     21.06645094     11.43075966    -14.33606418
  H     15.64594911     13.32540677    -16.97320645
  H     21.89784586     14.50857851    -15.10805776
  O     15.64302125      8.75746448    -11.54396678
  H     16.60283403     12.67187577    -17.97620317
  H     19.85051878      9.31907466    -12.26152398
  O     20.74227316     15.83818663    -15.90519954
  H     17.66635067     14.31567059    -16.78553102
  H     20.30183926      9.80025806    -13.65109756
  O     17.47435848     15.13737876    -13.64321570
  H     18.76534838     13.49739505    -16.10636064
  H     16.91305187     10.65411098    -14.01917996
  O     22.36822214     13.85649418    -14.57450318
  H     22.37545405     15.42351403    -11.34204521
  H     17.21796248     12.03302107    -13.33417951
  O     19.73531382      9.15825078    -13.20497761
  H     21.15999663     15.43582584    -12.30009194
  H     14.64060776     14.31132636    -14.56135967
  O     16.89298473     11.61288580    -14.14072581
  H     18.20613941     11.65079029    -15.34887794
  H     14.08875519     15.73777225    -14.40392836
  O     14.74076513     15.13404364    -14.05621985
  H     18.52268610     11.36142398    -16.83410492
  H     18.77180889     12.84709768    -11.86326528
  O     17.81604043     12.98157379    -11.92735039
  H     13.47000776     10.22800134    -14.57351875
  H     17.67716379     13.80353901    -12.41798341
          69
 Energy    -248.00177159708755     
  O     15.14197255     12.47601450    -14.76978072
  H     16.08333093     12.28564171    -14.71332191
  H     12.58924514      7.67711606    -16.60354027
  O     14.00624214      6.88919519    -13.93168100
  H     14.81573110     11.96529267    -15.52614733
  H     18.24581444      4.03450363    -14.39140284
  O     17.82390725      7.80389038    -11.46397150
  H     14.55983110      7.60344801    -14.28797957
  H     17.58655880      5.28222473    -15.02362269
  O     18.12008604      8.99211011    -15.82892753
  H     13.45220622      7.30004147    -13.25529577
  H     16.37493799      8.82485685    -15.18577677
  O     11.80622738      9.38424313    -16.48986198
  H     17.17310787      7.11891584    -11.66568326
  H     15.02822126      9.57373706    -15.36495384
  O     14.99429141      8.66335471     -8.94051501
  H     17.87706766      7.89483108    -10.50168739
  H     13.91118103     12.36800754    -13.54106832
  O     12.74300062      8.19720711    -11.81085134
  H     18.58981153      8.47411363    -15.15265860
  H     12.79376880     13.11283798    -12.77547068
  O     16.63829147     10.03654779    -12.51423367
  H     18.13418100      9.90781672    -15.52218332
  H     12.21048967     10.76158852    -13.54978875
  O     15.21348102      6.68983426    -18.24967069
  H     11.75581268      9.57286790    -15.53477109
  H     11.93698464      9.29590501    -13.15057200
  O     14.12769307      6.24743270    -10.25240630
  H     10.95469221      9.60395390    -16.85824190
  H     18.86922631      7.64788829    -12.97534769
  O     17.31877243      6.24071927    -16.45257709
  H     14.66032808      7.83454594     -9.30523713
  H     18.91995529      6.50419147    -13.98560189
  O     13.09714808      6.85652958    -16.58928286
  H     14.70528498      9.35927546     -9.54417354
  H     15.28097733      6.14208522    -12.91184069
  O     17.83459838      4.86784271    -14.17721793
  H     13.27474672      8.96539269    -11.55254862
  H     16.61909910      5.37645703    -12.85193086
  O     15.51049534      8.97313234    -14.78254617
  H     13.00321245      7.48814584    -11.21126743
  H     16.73517498      8.40744531     -8.73439996
  O     13.18962017     12.25379029    -12.89714333
  H     16.14375527      9.66598733    -13.26232983
  H     18.04250269      8.44255488     -7.92111721
  O     11.79102422      9.94529404    -13.84876095
  H     17.10611078      9.30306605    -12.09036599
  H     17.01774835      9.26335578    -17.54480131
  O     19.17814225      7.42497554    -13.86454649
  H     14.42936213      6.72703208    -17.67290969
  H     15.91753028      8.43468047    -18.24296062
  O     15.96692749      5.82907158    -12.30218804
  H     14.96368240      6.19423890    -19.02471560
  H     13.86174180     11.12402421    -11.55952281
  O     17.68346913      8.19411511     -8.76799464
  H     14.81841846      6.01780007    -10.89465411
  H     15.17408762     10.32328320    -11.49909525
  O     16.23995001      9.33614052    -18.10730255
  H     13.88848149      5.43647680     -9.80969707
  H     18.60639449     12.07161596    -14.16212149
  O     14.30063164     10.40515173    -11.08875022
  H     16.58955011      6.29905057    -17.08258186
  H     17.54292176     11.06357899    -13.66824634
  O     17.89579572     11.50764210    -14.45882024
  H     17.70302616      7.12233936    -16.40703804
  H     13.43993188     10.25791075    -16.76826504
  O     14.30899533     10.66470603    -16.67084119
  H     13.32572122      6.70184191    -15.66321117
  H     14.91907316     10.26422528    -17.30872316
          69
 Energy    -248.00169818464340     
  O     11.38994280     10.60580225    -11.98489134
  H     10.96529515     10.41654010    -12.83032547
  H     17.82373321      8.68051121    -16.42523739
  O     13.72808059      7.66562597    -15.41204756
  H     12.24885022     10.99102984    -12.20006645
  H     17.29671894     11.46246047    -12.81208086
  O     17.04631665      9.37279740     -9.76664908
  H     14.21503813      7.57707259    -16.24453268
  H     16.89747242     11.49802070    -14.28333265
  O     17.03428167     10.12267270    -15.66525720
  H     13.36439618      8.55969338    -15.38149063
  H     15.09518969      8.13475648    -14.32008574
  O     12.96969897     10.35266372    -15.27236250
  H     17.42833136      8.48816766     -9.70204115
  H     15.58077790      8.66941094    -12.93159317
  O     15.86447723      5.44261545    -10.74573730
  H     17.61269342      9.86031110    -10.37897509
  H     11.20418929      9.13939147    -11.02958172
  O     13.17866262      5.78598289    -13.51913738
  H     16.63764680      9.60596443    -14.94434211
  H     10.44717037      8.40581756     -9.89824553
  O     14.84649284      9.10203597    -11.35560674
  H     16.31277139     10.38254116    -16.25323934
  H     18.81625084      7.38004150    -11.53428417
  O     14.78849091     10.64562686    -17.30262162
  H     13.35554732     10.68033701    -14.44534579
  H     18.71795278      7.24996122    -13.06675710
  O     15.76120295      4.51394853    -13.46227604
  H     12.03148948     10.19024602    -15.11071612
  H     11.40217134      6.58347935    -13.39681744
  O     15.27517916      7.82206004    -17.67149542
  H     15.00114847      5.86198907    -10.63504959
  H     10.70864657      7.46138669    -12.33434855
  O     18.04876333      7.81901678    -16.81610822
  H     15.85659086      5.04694522    -11.62483990
  H     19.48504744     10.86996671    -11.75980041
  O     16.67325733     11.87411684    -13.42438158
  H     13.96360208      5.22609453    -13.51991598
  H     18.80070665      9.53855313    -12.13275445
  O     15.87033383      8.41923714    -13.81775343
  H     13.31455192      6.42186208    -14.23943943
  H     16.97330315      7.10951047    -14.07582461
  O     11.04087584      8.26608347    -10.63102611
  H     15.55994455      9.22250604    -10.71236288
  H     17.84116883      6.67115369    -15.26463092
  O     19.07437843      7.80397512    -12.36423048
  H     14.35581537      8.30433483    -11.12587170
  H     18.50854911      6.21189841     -9.24196269
  O     10.68640824      7.21655278    -13.26861516
  H     14.08929374     10.60764357    -16.62786936
  H     17.29590056      6.24347506    -10.20020949
  O     18.63021672     10.46088570    -11.87332847
  H     14.58075717     11.38286951    -17.87102469
  H     13.27871286      6.43324547    -11.81558099
  O     17.56568691      6.40050965    -14.38168885
  H     15.99270119      3.63207681    -13.74463258
  H     12.57312755      7.22224220    -10.67853144
  O     18.10069870      6.72367844     -9.93519679
  H     16.43411551      5.10875058    -13.83251904
  H     14.87985763     11.62624438    -13.06332968
  O     13.39453182      6.77417673    -10.91603101
  H     15.13179848      8.77487277    -17.74049381
  H     14.23030208     10.48427421    -12.27142285
  O     14.02395687     11.21957856    -12.86955570
  H     16.21600270      7.70707385    -17.49241254
  H      9.52344329      9.68320777    -14.87863122
  O     10.39980359      9.62013780    -14.50861395
  H     18.83732708      7.95347446    -17.33608775
  H     10.48485487      8.72209931    -14.14092960
          69
 Energy    -248.00164860724846     
  O      2.01195234     -0.79188142      4.12187599
  H      2.39873897      0.05014149      3.85475018
  H     -0.05728959      1.15196773      1.20208605
  O      2.61943018      2.81604470      5.97578230
  H      1.31961069     -1.01898196      3.48548043
  H     -1.78730367      1.49048532      5.08522019
  O     -2.42461200     -3.33592597      7.31949808
  H      1.75818610      3.25543768      5.97925060
  H     -2.02312659      1.96344891      3.64447768
  O     -0.52959328     -0.32500090      9.71661042
  H      2.54771193      2.17273938      6.68756490
  H     -2.93644033      0.17849375      2.67603870
  O      1.95998134     -4.58058639      5.81508988
  H     -1.47732653     -3.41487940      7.50441130
  H     -2.14619173      0.88275102      1.56484117
  O     -0.14483487     -1.52921393      2.53844243
  H     -2.71755338     -2.54365011      7.78227826
  H     -0.61796526      3.06830202      5.67975884
  O      0.08186492     -3.99060816      3.95516743
  H      0.07850067     -1.03693892      9.94969399
  H     -0.55396631      4.22649079      6.69606756
  O      3.43454869     -2.13196382      6.13579309
  H     -0.00411822      0.31792934      9.22579719
  H     -0.05044818      2.19629194      3.19784085
  O      3.05916235     -0.80128779      8.55038527
  H      1.32316627     -4.38407880      5.10352742
  H      1.44573823      2.11414027      2.79045222
  O      1.46574868     -2.36284495     10.04523160
  H      2.30494240     -5.45180772      5.64058170
  H      0.34645029     -1.73504824      6.73669810
  O     -2.66994878     -1.37344772      3.76078118
  H     -0.20083254     -0.95815712      1.76262732
  H      0.90244059     -0.89263630      5.53356894
  O     -0.47249998      0.49417904      0.61374743
  H     -0.99900258     -1.44846087      2.98689500
  H     -3.29434479     -4.73565235      4.63766496
  O     -1.51469732      2.16332897      4.44395399
  H      0.11270353     -3.23971976      3.35015050
  H     -2.63579241     -3.78895345      5.67036838
  O     -2.79631001      1.03977165      2.25957366
  H     -0.84445900     -4.08527991      4.20934789
  H      0.81024988      0.46104891      7.29688082
  O     -0.09512663      3.44084253      6.40917835
  H      3.09109559     -1.66557441      5.36220542
  H      0.61935526      1.98093554      7.52233211
  O      0.55025774      2.19555608      2.44222997
  H      3.07239035     -3.02269853      6.06360711
  H     -2.12237697     -0.66120518      9.06983838
  O      0.29582739     -0.88328864      6.28524077
  H      3.24949992     -1.23269072      7.70240435
  H     -3.65302128     -0.65053955      9.28742437
  O     -2.67669503     -4.01459056      4.72308100
  H      2.53697910     -0.01459735      8.36169017
  H      0.92921714     -3.85437992      7.15029696
  O      1.07129080      1.20261122      7.86877448
  H      1.89488634     -2.69716190     10.82742474
  H      0.74370966     -3.12025807      8.52586043
  O     -2.97823126     -0.84010149      8.64120141
  H      2.12314523     -1.82211115      9.56859438
  H      3.01365300      2.15844084      4.41487011
  O      0.32153437     -3.32382734      7.68174741
  H     -2.79406833     -2.30034606      3.99852829
  H      3.98594006      1.94813430      3.22898466
  O      3.11095332      1.73682149      3.54318467
  H     -2.61834641     -0.88514993      4.59480714
  H     -2.64040202     -0.13692706      6.93837312
  O     -2.22432914      0.07285018      6.09549720
  H     -0.28553591      0.76519217     -0.28043184
  H     -1.32912026     -0.30250939      6.13706507
          69
 Energy    -248.00162065538561     
  O     20.99046438     12.12744659    -18.55257605
  H     21.35525310     12.93854522    -18.15452814
  H     21.44732437     18.88896519    -17.04960495
  O     15.64701240     17.20822719    -14.96652572
  H     21.64697928     11.79812543    -19.16010255
  H     15.25383184     12.68018566    -13.49841608
  O     22.21642076     14.67580116    -14.58146246
  H     15.09596946     17.98693180    -14.96393518
  H     16.56522467     11.99169764    -13.08677126
  O     17.01313179     11.43220052    -17.16384009
  H     15.75556514     16.95253677    -15.89955013
  H     19.96752107     17.00971606    -13.77939683
  O     18.79897324      9.88478857    -11.76537633
  H     23.05604666     14.71484756    -14.13151662
  H     20.93998820     17.56045311    -14.84329352
  O     15.90896170      9.74127723    -15.20409050
  H     21.74912969     15.50537188    -14.37235142
  H     18.88466954     12.65509457    -13.02045841
  O     21.86239259     14.40722864    -17.41118892
  H     16.58166752     10.74005452    -16.64900925
  H     18.41592087     11.59997905    -11.98484119
  O     19.75079013     16.22307773    -17.74791504
  H     16.65207276     12.26922478    -16.83176126
  H     17.68993980      9.27625523    -14.68914930
  O     15.12450277     14.66031572    -13.68620013
  H     19.12121639      9.14679127    -11.25637091
  H     19.11175073      9.73022039    -15.06674990
  O     20.05251055     12.92648675    -14.33759701
  H     18.77499810      9.58450858    -12.69060575
  H     16.47498805     16.18725012    -18.25976463
  O     18.31020376     12.95428388    -19.18248781
  H     15.15434371      9.16486697    -15.12009251
  H     15.80558075     15.34009426    -17.17836173
  O     20.88686032     18.39285316    -16.45846736
  H     15.77410419     10.47378603    -14.57587086
  H     17.80263486     16.15902610    -12.85042026
  O     15.69303358     11.82451988    -13.46935588
  H     22.07175990     14.50823397    -16.47555383
  H     17.27054906     17.03929644    -14.01454513
  O     20.88531803     16.97659790    -14.07230144
  H     21.21144720     15.09210184    -17.61664703
  H     17.01836118     14.94533502    -10.73836222
  O     18.22153629     12.48078856    -12.33694704
  H     19.34528249     15.76867439    -16.99256945
  H     17.56017926     14.00901253    -11.84421729
  O     18.61440423      9.21861582    -14.41700737
  H     19.13539301     16.11844513    -18.48236713
  H     20.20232610     11.30237226    -17.08629162
  O     15.87143330     16.24709975    -17.51172621
  H     15.74245331     14.73042741    -12.94585004
  H     18.73563950     11.19810934    -16.60982648
  O     18.07662394     16.73494340    -13.57660549
  H     15.13093582     15.53086196    -14.10383560
  H     19.13229991     14.19479644    -15.20887752
  O     17.13015433     14.86732248    -11.68223102
  H     20.89251686     13.40001328    -14.38719456
  H     18.47383904     15.57104651    -14.91874045
  O     19.65339308     11.06542350    -16.32898187
  H     20.02778242     12.23849342    -15.01835887
  H     17.91328683     14.62817528    -19.46873018
  O     18.62160842     14.91074268    -15.60857662
  H     19.22776856     12.68539531    -19.05443566
  H     17.59565876     15.70406802    -20.53067634
  O     17.75314249     15.58079940    -19.59848792
  H     17.78285543     12.36411319    -18.62990702
  H     15.73310642     13.94081746    -15.33299328
  O     16.17847420     13.83943572    -16.18180328
  H     20.47673207     17.69828190    -16.99866824
  H     17.06576882     14.21440407    -16.05675079
          69
 Energy    -248.00158246447310     
  O     20.94179904     11.66682764    -18.75458893
  H     21.26728641     12.54934350    -18.49930746
  H     17.81642024     12.54751290    -18.81523806
  O     16.64440011     17.64482734    -13.21717439
  H     21.59286701     11.28924411    -19.33914608
  H     20.02102664     18.53625367    -17.83334628
  O     22.42334662     14.55035223    -15.29398542
  H     16.29477705     18.44323502    -12.83196862
  H     19.49836146     17.09823726    -17.63068167
  O     14.04469040     13.67389505    -14.16879947
  H     16.77766557     17.82272855    -14.16678396
  H     14.62614673     11.93542730    -13.82695124
  O     16.88166847     11.72335221    -17.39670044
  H     22.02641688     15.42819859    -15.14330650
  H     15.15510158     10.61141564    -14.43784655
  O     17.35585674     11.05869603    -12.18553937
  H     23.30847142     14.58256534    -14.94173312
  H     20.73966791     17.32933039    -15.65892308
  O     15.80604916      9.57455749    -15.91571512
  H     13.18709506     14.04605545    -13.98393910
  H     20.50350847     16.77515502    -14.23084105
  O     21.59560137     14.16984877    -17.96749357
  H     14.68930167     14.14332580    -13.60585812
  H     18.08965738     12.76971758    -12.19986827
  O     18.98406307     15.43889513    -18.14051801
  H     16.43728349     12.51343164    -17.05559132
  H     19.14907114     13.39478585    -13.10502583
  O     15.95970893     14.92192202    -12.78603444
  H     16.42334607     10.96266667    -17.02013368
  H     18.74891246     10.00963624    -15.12052491
  O     20.19305285     13.01051201    -14.54313671
  H     16.49827454     11.09329255    -12.64687231
  H     18.05640079     10.05025360    -13.73095076
  O     18.46452686     13.03796019    -19.33849311
  H     17.21857635     10.54073977    -11.39604509
  H     15.85313172     15.55861302    -17.41183368
  O     19.72878041     17.91936942    -17.16605678
  H     16.63849870      9.45335538    -15.42304411
  H     17.00281105     16.13052322    -18.24269274
  O     15.05363510     11.09766582    -13.61096304
  H     15.49512893      8.70446437    -16.15092751
  H     18.30679677     16.85010249    -13.03644183
  O     21.17664275     16.89774627    -14.91572728
  H     21.94985362     14.31850232    -17.08185185
  H     18.94396137     15.46046833    -12.72928067
  O     18.48999979     13.61803255    -12.43097399
  H     20.79494867     14.70215757    -18.03708520
  H     16.68820477     17.51011046    -16.49698643
  O     18.14775045      9.52803341    -14.53660092
  H     18.73540500     15.22850510    -17.22557300
  H     18.04863682     18.15089385    -16.18891547
  O     16.16509203     16.37076457    -17.83480799
  H     18.77903480     14.65618996    -18.67503483
  H     18.56277245     11.39856789    -16.74978491
  O     19.08919219     16.30224657    -13.18033904
  H     16.81152699     14.48445743    -12.66542600
  H     20.02844627     11.19848853    -17.20361542
  O     17.16679638     18.01836297    -15.82613080
  H     16.13532791     15.86393343    -12.89917554
  H     18.45686822     15.50532857    -14.87140828
  O     19.44825268     11.16559867    -16.43329142
  H     20.03336949     12.30577440    -15.18706838
  H     18.95654612     14.11397541    -15.27816513
  O     18.34981507     14.81948647    -15.53902363
  H     21.02319539     13.44884370    -14.76791672
  H     15.14099832     13.91530288    -15.63478938
  O     15.80128489     14.01979305    -16.32988605
  H     19.26948362     12.50714339    -19.31560238
  H     16.62613991     14.31260559    -15.91356246
          69
 Energy    -248.00153795411762     
  O     -1.05293541     -3.67286100     -4.21832890
  H     -1.17426942     -2.71481531     -4.17998374
  H      2.16700233     -3.85429643     -4.54764726
  O      0.07913698      1.26163454      1.74713434
  H     -0.21961233     -3.83200160     -4.68913150
  H     -3.47834317     -1.12838628     -2.11876144
  O      0.81173532     -0.47033828      3.69732765
  H      0.85614977      1.56062345      1.26123001
  H     -4.23349038      0.11943734     -2.63540056
  O      0.87877021     -2.69377798      1.98515730
  H     -0.57637352      0.97665573      1.09722881
  H      2.80357167     -0.83607446     -4.29491357
  O      3.09016464     -3.65691149     -2.82354176
  H      0.48595815      0.17026068      3.03856150
  H      3.47052546     -1.89469003     -3.39362418
  O      0.44586353     -0.94666332     -1.55734950
  H      0.41566226     -0.23495580      4.53156801
  H     -1.72659808     -1.63351929      0.58235964
  O      0.50086392     -3.64963628     -1.88384742
  H      0.80866877     -2.03706757      2.68917451
  H     -0.77177228     -2.64718949      1.22498742
  O      3.79865233     -4.80692986     -0.28265335
  H      1.70600085     -2.49727399      1.52132233
  H      0.55667579     -5.54546115      0.63098530
  O     -1.15312451     -5.18083997     -0.20321341
  H      2.17753334     -3.62548640     -2.49655857
  H      1.24302213     -4.49844709      1.51080475
  O     -2.71832220     -5.15124022     -2.61429732
  H      3.56837060     -4.10173286     -2.11632528
  H      2.61162550     -0.14744692      3.08657111
  O     -0.99523022     -0.85576804     -3.88761721
  H      0.44809288     -1.91413924     -1.53137679
  H      3.54487543     -0.80168781      2.05151882
  O      1.48961517     -3.72033712     -5.22207540
  H      1.34990119     -0.65304649     -1.39157939
  H     -2.30423623      0.20005238     -0.84267089
  O     -3.36037285     -0.22910857     -2.47677696
  H     -0.03152436     -3.70570711     -2.68806277
  H     -0.84482507     -0.24084425     -0.62816573
  O      3.49621899     -0.95754790     -3.63635933
  H      0.07883448     -4.21379566     -1.22693175
  H      3.32728123     -0.28904106     -1.98910286
  O     -1.63033426     -2.57403286      0.78250287
  H      4.44347836     -5.44001247      0.02313592
  H      3.05429527      0.63827044     -0.70988413
  O      1.41498370     -5.29771173      0.99444868
  H      2.95079350     -5.06177336      0.12273023
  H      3.64150677     -3.05953801      0.43476442
  O      3.38791007      0.01911626      2.53770955
  H     -1.73373041     -5.32648652     -0.95998159
  H      3.30042927     -1.57869941      0.08402285
  O     -1.63111035      0.09373068     -0.16349961
  H     -1.44441515     -4.35978481      0.21974870
  H      3.13475699      2.75360087      0.87430518
  O      3.04487159     -0.25783555     -1.06293172
  H     -2.16584936     -4.69763575     -3.27350751
  H      3.02296794      1.29398133      1.37233554
  O      3.35372836     -2.22005058      0.80922501
  H     -3.19809054     -5.83211452     -3.07923371
  H     -3.36300284     -3.55115868     -1.81381245
  O      2.72145595      1.91547832      0.68415984
  H     -1.85684541     -0.54843601     -3.58188518
  H     -2.93733580     -2.71382711     -0.59143775
  O     -3.49281487     -2.69958711     -1.38131250
  H     -0.42302568     -0.83283818     -3.10371613
  H      0.43794234     -0.77659730     -5.01982024
  O      1.27613584     -0.86688998     -5.50008467
  H      1.52635411     -2.78174695     -5.44735846
  H      1.20121108     -0.32650845     -6.28332121
          69
 Energy    -248.00150386049356     
  O     16.76491771     11.87052588    -10.54367628
  H     16.39656209     11.91689159    -11.43551150
  H     15.59457447      7.71746862     -8.33293888
  O     13.34889086     12.60489344    -11.97154499
  H     17.54655300     11.31098126    -10.63354179
  H     18.97345264      7.43291256    -13.12495253
  O     12.91675366      8.99997138     -9.35933892
  H     14.20386552     12.46330380    -12.39358979
  H     18.04877224      7.17922766    -14.32863248
  O     14.06429197      6.62271230     -8.37418824
  H     13.50822983     12.79290087    -11.03949084
  H     19.08597979      8.78968790     -9.89251467
  O     11.07541500     11.16977926     -9.37612125
  H     13.19280355      8.16916176     -8.95497478
  H     18.18441882      8.05739786     -8.88283479
  O     11.01241784     11.27478104    -12.25001768
  H     13.65087928      9.62130547     -9.24623120
  H     12.33570428     12.38612267     -9.10415990
  O     18.36600883     10.55458764    -14.04336539
  H     14.13800902      6.13390615     -9.21440450
  H     12.92439590     13.72164332     -8.58861528
  O     16.81367467      5.82276791    -14.80589793
  H     13.79975025      5.99286792     -7.70951786
  H     11.57763175      9.53339358    -12.13920317
  O     15.80873481     11.69983532    -13.19436515
  H     11.55646104     10.34150374     -9.24480777
  H     12.35288816      8.77071884    -11.02688867
  O     16.32483098      8.26060842    -11.31668907
  H     10.87618371     11.21051147    -10.31992550
  H     20.22654766      5.90293143    -11.39991955
  O     16.77168341      5.55522478    -12.00859859
  H     10.43900441     11.74515144    -12.84847126
  H     19.28645210      6.88999136    -10.67651565
  O     16.29431524      8.35706974     -8.51757921
  H     11.85066027     11.77196146    -12.21417566
  H     14.49502610      7.84310323    -14.27987794
  O     18.64417081      7.83086304    -13.93877085
  H     18.42602608      9.58306131    -14.08079304
  H     13.69578630      6.54379774    -14.12875214
  O     19.03494073      7.99868198     -9.33542634
  H     18.98533243     10.88565771    -14.68922989
  H     11.55693830      5.69592267    -12.93073977
  O     13.14567845     12.92358985     -9.06087348
  H     15.92601843      6.22480823    -14.83400780
  H     12.19403161      7.03720734    -12.50309732
  O     12.04685177      8.71208902    -11.94511384
  H     16.87696970      5.23782910    -15.55547843
  H     13.63940633      5.56352607    -11.45264251
  O     19.38580353      6.34622053    -11.47743716
  H     16.66686670     11.47184971    -13.56953585
  H     15.14073623      5.31708958    -11.16529677
  O     14.39145513      6.95663122    -14.65343612
  H     15.29261996     10.87915102    -13.24091183
  H     17.83305622      9.33803534    -11.36031610
  O     12.39488340      6.12705641    -12.78146568
  H     16.45512802      7.34187245    -11.58236574
  H     18.74241930     10.25690939    -12.18544944
  O     14.27024107      5.37192492    -10.74901332
  H     16.25705004      8.27449112    -10.35316651
  H     15.17209213      8.94095019    -12.45599721
  O     18.60807029      9.91906531    -11.29301274
  H     17.69772534      5.66959907    -11.75435143
  H     13.66057963      9.16905625    -12.73354696
  O     14.54090608      9.27578645    -13.11295674
  H     16.75607135      5.52764041    -12.97445725
  H     15.64769389     11.15500184     -9.43021783
  O     14.96996575     10.80905494     -8.82701963
  H     15.90100623      9.23775631     -8.43685367
  H     14.36689775     11.54940767     -8.69135591
          69
 Energy    -248.00145296382911     
  O     12.39037355     12.24637992    -12.67076835
  H     12.36590801     11.85277464    -11.79109879
  H     18.78378260     14.10279194    -15.84830451
  O     20.81322200      7.34037363    -11.83393807
  H     12.45939085     11.50604982    -13.28726014
  H     12.52163964      9.55157125    -13.74878814
  O     18.35031782     10.93326734    -12.00433302
  H     21.71889265      7.17636844    -11.58706268
  H     13.67272109      9.60047608    -14.74801372
  O     12.40550641      8.74122049    -12.14779186
  H     20.83776319      7.67470771    -12.74683575
  H     15.56175379     10.29449797    -13.55952814
  O     16.60567974      7.04265338    -13.17818585
  H     17.47401885     10.94965813    -12.42356391
  H     15.42511945     11.82572024    -13.29111564
  O     14.42359084      6.81629946    -11.40861019
  H     18.32033614     11.63144085    -11.34163888
  H     13.31125641     11.36202778    -15.66680537
  O     14.56478371     13.38791389    -13.82122028
  H     12.42746831      9.37066962    -11.41669537
  H     13.02261907     12.34598889    -16.81738240
  O     17.65634070      9.52042713    -16.22034901
  H     13.05150727      8.05782488    -11.93408411
  H     16.81371953      8.32303584    -10.21611797
  O     18.28318487      8.24663234    -11.33682818
  H     17.22924448      7.45461948    -12.56014411
  H     15.75253949      9.37997076     -9.84032878
  O     16.51962474     12.06464913    -16.69225878
  H     15.83077967      6.80048645    -12.65597807
  H     20.35411029      9.22254346    -14.50840706
  O     18.28325758      6.88108143    -15.39577807
  H     14.12746787      6.05735179    -10.91208867
  H     19.88543724      7.77874837    -14.78842619
  O     18.40335225     13.43289598    -15.28537346
  H     14.91479340      7.38417009    -10.78635384
  H     16.14288273     14.06686721    -13.14875989
  O     12.83651321     10.03696931    -14.52667734
  H     13.77774321     13.15597839    -13.30245009
  H     17.60383311     13.95069563    -13.60537869
  O     15.78808859     11.00112614    -12.94471927
  H     14.35006249     13.15213848    -14.73046417
  H     17.90780647     13.75462298     -9.81497422
  O     13.70265357     12.06663844    -16.20859180
  H     17.89561305      8.58793105    -16.15628355
  H     17.34184584     13.53393373    -11.23674338
  O     15.92583691      8.43136586     -9.84633534
  H     18.27679124      9.99482638    -15.64642590
  H     13.59099902     11.00540001    -10.09741253
  O     20.59986515      8.29567630    -14.39710950
  H     19.16916278      7.86160308    -11.39060787
  H     12.25255844     10.96042294     -9.32603750
  O     17.05521151     14.16131968    -12.84084240
  H     18.37463490      9.19059208    -11.52663719
  H     19.16718879     10.88351700    -13.61243285
  O     17.51000462     13.09854231    -10.38043256
  H     16.84545115     11.15602643    -16.73015533
  H     19.24763474     11.80127429    -14.84266564
  O     12.63887256     10.83575206    -10.18912824
  H     15.56011718     12.01446976    -16.61418905
  H     15.40933697     11.04714901    -11.19962989
  O     19.42569450     10.90048658    -14.54554447
  H     18.30283872      6.00817056    -15.78079138
  H     16.02647221     11.87910752    -10.06894648
  O     15.36102594     11.20433053    -10.24285037
  H     17.69733471      6.83069532    -14.62320403
  H     15.69708832      8.24817180    -14.22152713
  O     15.35814155      8.96215369    -14.77721955
  H     17.68883152     13.01391431    -15.79797163
  H     16.08161189      9.21180146    -15.36732369
          69
 Energy    -248.00125076540940     
  O     -2.07833381      4.25105202      4.35717469
  H     -1.86588357      4.27712231      3.41556521
  H     -3.73794171      4.17802474      4.81860571
  O     -1.89465833     -0.33773353      3.50927923
  H     -1.62903684      3.45932778      4.68124608
  H     -2.25732960      4.05778654      0.16786832
  O     -4.38388683      0.53287231     -0.11508675
  H     -2.47553949     -1.09211916      3.65821900
  H     -3.67794216      3.88675166     -0.41821105
  O     -2.02889566     -2.56234955     -1.17610203
  H     -2.44301552      0.36014990      3.11403065
  H     -5.49740893      3.26080301      3.59819217
  O     -0.15463956     -0.34199587      1.39209694
  H     -4.74412113      1.41333588     -0.27552933
  H     -6.09261229      1.92815670      3.01188165
  O     -5.09010516     -0.70952992      5.70451922
  H     -3.51031671      0.46166081     -0.52895749
  H     -0.54628142      3.15489588      1.88335225
  O     -6.43715014      0.22786149      3.34908086
  H     -1.28311010     -2.81481936     -0.61844677
  H     -2.05863905      2.85414438      1.89180596
  O     -1.77441136      0.21256929     -0.89578286
  H     -1.98418397     -1.59886342     -1.23969437
  H     -6.21605170      3.55442937     -0.32752527
  O     -5.25141045     -1.57188371      1.44675928
  H      0.03559170     -1.26004779      1.16258115
  H     -5.58093231      3.12090709      1.01033347
  O     -2.32227741     -3.99276245      2.10670376
  H     -0.76265099     -0.38574074      2.14707786
  H     -4.33898997     -2.03363652      2.96517210
  O     -1.25316858      2.50922724     -2.25927528
  H     -4.50782627      0.05713715      5.84810062
  H     -4.27578244     -1.88124405      4.50766393
  O     -4.65051913      3.97457993      5.09593190
  H     -5.47812902     -0.92045417      6.54975047
  H      0.60951984      1.17243321      2.04749827
  O     -2.77082301      4.11247813     -0.65095890
  H     -6.07605718     -0.09767729      4.18259144
  H      1.79130856      2.12589100      2.31864107
  O     -5.72832620      2.79933502      2.78276670
  H     -6.19494036     -0.42555324      2.68113051
  H     -0.09698366      1.96795165      4.29920599
  O     -1.40890794      3.55534399      1.72490054
  H     -1.18199320      0.14036422     -0.13745668
  H     -1.16697627      0.92458301      4.55972102
  O     -5.42495368      3.17999760      0.05294967
  H     -1.50660003      0.98058120     -1.42181675
  H     -3.96312794      2.33284195      5.78990070
  O     -3.83500215     -2.29030424      3.75262103
  H     -5.04176615     -2.36925626      0.94425548
  H     -2.60373316      1.60439392      5.84117054
  O      0.85897099      2.00466450      2.48210029
  H     -4.99643189     -0.83308284      0.87451029
  H     -3.47373009     -3.29634781     -0.52395190
  O     -0.81210031      1.75674755      4.90995080
  H     -2.98219298     -4.06224492      1.40516802
  H     -4.57882361     -4.37353461     -0.63445073
  O     -3.54076087      1.50044069      6.03574166
  H     -2.76696659     -3.52668208      2.82632476
  H     -0.83144147     -3.43533962      1.37921109
  O     -4.20139909     -3.72943107     -0.04156616
  H     -0.99727148      2.96489962     -3.05595921
  H      0.59124998     -3.78729775      0.88718683
  O     -0.07351429     -3.10423308      0.86366283
  H     -1.79624889      3.13583705     -1.75082086
  H     -3.57579971      1.15653305      1.39052552
  O     -3.29241252      1.58109246      2.21066590
  H     -4.92875251      4.68382572      5.66932149
  H     -4.07843507      2.01122167      2.56823285
          69
 Energy    -248.00121683877393     
  O     17.05145841     10.13605276     -7.73571626
  H     16.93090162      9.25271413     -7.36917329
  H     15.00772849      6.71076210    -13.73455118
  O     16.47349401      6.11265065    -10.69930614
  H     16.19746562     10.39571988     -8.11146224
  H     11.38688503     11.34802384    -11.15348390
  O     13.15583229      4.74107843    -10.20161738
  H     16.17413819      5.32051807    -11.16138808
  H     10.72103163     10.94547283     -9.81815321
  O     18.54964543      7.25611120     -9.22770707
  H     15.84355201      6.26831572     -9.97985278
  H     19.43832171     10.57223964     -9.80926306
  O     16.92837555      7.33814637     -7.04119306
  H     13.63220151      5.25834907     -9.54098327
  H     18.13121491     10.14404097     -9.09934587
  O     16.28131121     10.52248755    -11.40119437
  H     13.81791785      4.42880718    -10.83097953
  H     14.07792263      7.23484689     -8.61558536
  O     13.15370349     12.94663627     -9.09199761
  H     18.67174520      8.14668586     -9.57753224
  H     15.38550573      6.74494560     -7.93063536
  O      9.59924473      7.79735361    -11.02477041
  H     17.96277808      6.79616974     -9.84460896
  H     12.54922246      9.72862894    -12.25164268
  O     14.71803045     10.71073235     -9.13361846
  H     17.34176606      6.96841317     -6.26536338
  H     12.91914335     11.06590368    -12.92671928
  O     13.20930111      8.15775208    -11.69435495
  H     17.57677610      7.26745738     -7.76537510
  H     11.22788719      7.26773800    -13.72913714
  O     10.74332678      5.20623211    -11.31225378
  H     17.17056107     10.42596074    -11.03963056
  H     11.38136367      5.97232755    -12.87750246
  O     14.54215117      5.90858343    -14.00527338
  H     15.68966381     10.59848723    -10.63611527
  H      9.61594897      9.28728240    -14.24147742
  O     11.05179796     11.70056735    -10.31873196
  H     13.11850961     13.88687294     -9.24335683
  H     10.86319723      9.55148244    -13.36743982
  O     18.64406747     10.05722331     -9.92479450
  H     12.36092085     12.57546302     -9.51583606
  H      9.95402641      8.77809916     -9.64412222
  O     14.70739224      6.50017852     -8.57263188
  H      9.95423900      6.90038861    -11.06322334
  H      9.54913640      9.31838390     -8.25030023
  O     12.16707336     10.52608549    -12.64776017
  H      9.70597738      8.17353056    -11.90611768
  H     14.93789548      4.66775691    -12.85131651
  O     11.82224049      6.53266502    -13.53105377
  H     14.08353262      9.99103436     -9.02684159
  H     15.44955235      3.24693899    -12.50866217
  O     10.21741921      8.87254282    -13.62847733
  H     14.22765644     11.54382171     -9.07671216
  H     15.04586974     12.24149592    -13.89629528
  O     10.24431756      9.33877876     -8.90232615
  H     12.72869513      7.52495040    -12.24011493
  H     15.22409901     11.42493942    -12.60921122
  O     15.16466274      4.06807251    -12.11760625
  H     14.13205338      8.12875301    -11.98224554
  H     12.02817329      8.82168680     -8.83228096
  O     14.55800048     11.79839137    -13.20642030
  H     10.22782511      4.41110347    -11.20584397
  H     12.98990060      8.38406009     -9.96997108
  O     12.93891204      8.56541668     -9.01732247
  H     11.59162435      5.05051563    -10.85894878
  H     16.15475434      7.40084202    -11.93125307
  O     15.80984856      8.03389169    -12.57859837
  H     13.59861813      6.11780632    -14.00173321
  H     16.04961528      8.91660686    -12.26790870
          69
 Energy    -248.00115550211342     
  O      1.85013029      0.94772373      4.82054790
  H      2.55451474      1.01833597      5.45955227
  H     -3.59840804      3.18146053      1.37456040
  O      0.75033083     -0.47159430     -3.38034749
  H      1.18677402      0.34160281      5.19834436
  H     -3.01600387     -0.18445963      7.47192502
  O     -0.07930195     -0.77626483      5.61635420
  H      0.45000437     -1.23410535     -3.86982505
  H     -3.18829813     -0.59371987      5.98637833
  O     -0.88015497      0.04691524     -1.17022645
  H      0.07819358     -0.30509271     -2.70134918
  H      0.12627601      2.51917383      1.00387185
  O      2.27586058     -1.99468573      0.05734718
  H     -0.91771869     -0.53635975      6.03101347
  H     -1.31276834      3.14032321      1.20415611
  O     -4.58341191      2.95105360      3.03247839
  H     -0.30432354     -1.26858656      4.81912389
  H     -3.57976418      1.40067345     -2.26997265
  O     -2.87202513     -3.54016228      3.27602421
  H     -0.86147424     -0.81720659     -0.73457327
  H     -2.44667226      0.86688998     -1.35971076
  O     -0.14305811      2.99410408      4.40458673
  H     -0.20627284      0.58233123     -0.72818772
  H     -1.39133812      1.29474456      2.15272247
  O      2.91969843      0.12214900     -1.81566703
  H      2.60464805     -1.37399839     -0.60324051
  H     -2.29213188      0.93982268      3.34712250
  O     -5.48161413      0.20659208      3.01852694
  H      2.28881349     -1.51128361      0.89384890
  H      0.49014880     -2.36455559      0.01500373
  O     -4.06133284     -1.39414978      4.77725187
  H     -5.06502046      3.70332189      3.36908973
  H     -0.57691224     -2.22119928      1.11861679
  O     -2.99153999      3.33071403      0.63853733
  H     -3.92578512      2.71931215      3.71086629
  H      0.91356393     -0.92844260      2.56882275
  O     -2.63860042     -0.07410659      6.60391727
  H     -2.98285165     -4.45784669      3.50965999
  H      1.86706082      0.14143377      3.13356993
  O     -0.50811066      2.84083147      1.65489729
  H     -3.06706346     -3.46448265      2.32465615
  H     -2.69695171      1.43343269      5.51390685
  O     -3.32541533      1.28393496     -1.35829304
  H      0.58389597      2.38506053      4.57497798
  H     -1.78878672      2.45862759      4.75475515
  O     -1.92972363      0.58455612      2.52549803
  H     -0.19337372      3.08079912      3.44094354
  H      1.39219169      0.75997962      0.90625630
  O     -0.46633422     -2.34445137      0.16741529
  H      3.70277899      0.35283247     -2.30845894
  H      1.90790497      1.06726479     -0.52288966
  O      1.65897931     -0.36043594      2.33499764
  H      2.22760754     -0.08561072     -2.46642684
  H     -1.38977690     -2.46247375      3.16101818
  O     -2.67834949      2.07110379      4.79129677
  H     -5.12789696     -0.08343034      2.16697683
  H     -1.17989837     -0.94713377      2.83968686
  O      1.23496501      1.31033618      0.12394102
  H     -5.32267869      1.15732323      3.04266542
  H     -2.27980725     -3.01737724      0.25845181
  O     -0.71816691     -1.79220152      2.97824048
  H     -3.76103143     -2.15345756      4.26789557
  H     -3.53122329     -2.19232578      0.61735540
  O     -3.16788138     -3.09056689      0.62874041
  H     -4.62984557     -0.86388301      4.19930775
  H     -3.87886331      0.14146971      0.00555042
  O     -3.89630183     -0.41178915      0.79489556
  H     -3.22118908      2.69766847     -0.05139979
  H     -3.22589409     -0.05018442      1.39432771
          69
 Energy    -248.00109052164737     
  O     15.79322723     11.78578408    -16.17773483
  H     15.00732502     11.28094316    -15.91825327
  H     19.78657616      6.08686543    -16.68318970
  O     18.50480034      7.70753827    -11.94862218
  H     16.03639140     11.47182740    -17.05537274
  H     18.84641700      8.17748436    -17.94748010
  O     18.91596052      6.37775026    -18.41971998
  H     19.28884150      7.70972190    -12.50975467
  H     18.04021077      8.61195703    -16.71933702
  O     16.21336065      5.91294739    -18.23781468
  H     17.90005779      8.35812197    -12.34158313
  H     17.18856458      6.88696697    -15.30669465
  O     14.13256323      8.47136614    -10.30770235
  H     19.24902357      5.89735921    -19.17314746
  H     16.97016877      8.31758385    -14.70044704
  O     14.58052282      5.93581984    -13.54693508
  H     17.96590460      6.17253032    -18.35928264
  H     13.95021223      9.39774289    -16.20453614
  O     16.80353933      9.37389130    -13.23406595
  H     15.80588157      5.32734140    -17.58970302
  H     13.73281472      9.61633672    -14.69145540
  O     17.57684797      5.02939603    -14.96572975
  H     15.72257637      6.74187632    -18.15662296
  H     15.11671349      5.06720281    -10.09797110
  O     13.66685506      5.70003883    -10.85977378
  H     13.80779983      9.03988936     -9.61450278
  H     15.91719812      4.14819832     -9.14122146
  O     19.79014490     10.16781869    -15.22085585
  H     15.05864247      8.26376123    -10.09063662
  H     21.49203080      8.00555039    -13.69860547
  O     15.15478496      4.45415471    -15.97822836
  H     14.58750515      5.48678227    -14.39900010
  H     20.30563770      8.75012980    -14.34884513
  O     20.03811107      5.78312100    -15.80247373
  H     15.44425574      5.77326348    -13.14051226
  H     17.60848849      6.17192649    -12.16480665
  O     18.57730341      8.95974211    -17.45070174
  H     17.02222378     10.27035834    -13.51698997
  H     16.80361780      5.04987833    -11.45112288
  O     17.00247605      7.80800288    -15.51981959
  H     15.84335732      9.27447231    -13.18310195
  H     16.55848118      6.70043439     -9.60226244
  O     13.72606934     10.06641289    -15.54530176
  H     18.49891969      5.15737955    -15.22916852
  H     17.41705173      7.74697643    -10.34046499
  O     16.01111750      4.85180272     -9.77689330
  H     17.52955667      5.01391307    -13.99983144
  H     16.76998968     10.75756627    -19.47026807
  O     20.56618916      7.91867560    -13.91452644
  H     13.77354324      5.67893279    -11.81971406
  H     17.36244335      9.99372549    -18.26127961
  O     17.07774229      5.37562815    -12.31586411
  H     13.65236680      6.63560716    -10.61989618
  H     14.01797907      8.69108308    -12.15314193
  O     16.67579483      7.65038352     -9.73048458
  H     19.49245367      9.87714764    -16.09293884
  H     14.23226936      7.72930437    -13.35058661
  O     16.57393187     10.46059377    -18.58556889
  H     19.12549704     10.78862807    -14.89905455
  H     16.98496937     11.86243984    -14.97792737
  O     14.13951914      8.66283477    -13.11069242
  H     14.97426100      3.51728932    -16.00482887
  H     17.72116558     12.68716130    -13.89263322
  O     17.65294772     11.81410260    -14.26844709
  H     16.06709990      4.55478760    -15.64836894
  H     15.42612146      9.07595772    -17.92565355
  O     15.03442767      8.34113289    -17.43635234
  H     20.23777295      6.55857388    -15.26341219
  H     15.64792863      8.14002164    -16.71183927
          69
 Energy    -248.00097935858912     
  O     13.76889570      8.86083790    -17.71907312
  H     12.84635018      9.17316282    -17.67726926
  H     12.87064577     13.02609843    -13.54525635
  O     11.16611599      9.38615693    -11.84601285
  H     13.80996472      8.20993088    -18.41377299
  H     15.23808390      9.68262939    -11.68379736
  O     14.00940320      8.93720711    -14.92527270
  H     11.41699010      8.55886435    -11.41588332
  H     16.71286880      9.86645354    -12.10900513
  O     13.14201838     13.10841451     -7.94619763
  H     10.69548573      9.94567985    -11.21338794
  H     14.19046631      7.75452207    -13.51194340
  O     14.62087615     11.58305045    -17.40173192
  H     14.44087711      9.78956580    -14.77500325
  H     15.13971539      7.77453753    -12.31372741
  O     11.37628184      9.82418655    -14.56899569
  H     14.01507169      8.78275728    -15.87867586
  H     13.11440671      7.11858270    -11.49286845
  O     13.29305879      8.63324025     -8.55535128
  H     13.52946952     13.72349814     -7.32923345
  H     12.12908199      6.19171666    -10.74191033
  O     13.69319999     10.57970397    -11.58061529
  H     13.87692596     12.62777262     -8.36504272
  H     17.03305318     12.07993702    -12.40103732
  O     11.56165834     10.70769966     -7.92418772
  H     14.48180560     10.64874466    -17.60159431
  H     18.33859204     11.69603137    -13.14385673
  O     16.02802352     13.16469724    -11.48652926
  H     14.89397155     11.62052037    -16.47560243
  H     11.59032452     11.65506603    -14.71971765
  O     10.04730123     11.20705316    -10.07666737
  H     11.13899768      9.64789248    -13.64946593
  H     11.87564187     12.73824107    -15.78074628
  O     13.48953566     13.08949944    -12.79911067
  H     12.27348207      9.47823260    -14.67870533
  H     14.38437475     11.27560651    -10.02012330
  O     16.11673297      9.26798429    -11.64508002
  H     13.02021407      8.06724864     -9.28772665
  H     15.47274697     10.89017473     -9.00121659
  O     14.37841436      7.30509884    -12.67634028
  H     14.25107419      8.71064743     -8.61470115
  H     16.01758450     11.44423609    -14.14965598
  O     12.41655993      7.09814232    -10.81342743
  H     12.84380050     10.13032079    -11.65660289
  H     14.61100513     12.09147843    -14.11455698
  O     17.45438720     11.39540182    -12.95299381
  H     13.60854748     11.41759322    -12.05335732
  H     13.05153898     12.34552435    -17.61563056
  O     11.82951307     12.58557320    -14.83048540
  H     12.08877086     11.49809245     -7.76190435
  H     12.08268672     13.32563513    -18.32011902
  O     14.96711888     11.63994134     -9.33528053
  H     12.17989077      9.97593407     -8.07152729
  H     16.22753981      9.08400288     -9.87640469
  O     15.17258136     11.48854071    -14.61444440
  H     15.20709489     13.35101528    -11.96026485
  H     16.86766971      8.62630460     -8.54359956
  O     12.12628841     12.64758299    -17.65181956
  H     15.76495280     12.74463290    -10.65711476
  H     12.30667796     13.41380725     -9.65929452
  O     16.13697154      9.11801237     -8.90853089
  H      9.14649166     11.39344175     -9.82664032
  H     11.25661954     12.67576563    -10.50176304
  O     11.95772659     13.33646774    -10.55485902
  H     10.53389832     10.99806057     -9.25746318
  H     11.41183208     10.86528567    -17.55374423
  O     11.29164797      9.92138681    -17.38789827
  H     12.95537618     13.30092008    -12.01605681
  H     11.11138528      9.83795482    -16.44130216
          69
 Energy    -248.00089351922946     
  O     16.09292494     10.22438082    -15.22507768
  H     16.13861138     11.13244492    -14.89411703
  H     18.82685786      4.30921403    -15.59462557
  O     14.38996348      7.76035218     -9.72651020
  H     16.99010942      9.87062127    -15.30846249
  H     15.50439814      7.01656083    -11.05214343
  O     13.88154697      8.64555971    -15.45651095
  H     14.78275434      8.62008689     -9.49519104
  H     15.29729152      6.55036247    -12.52594943
  O     18.52562162      8.98228854    -15.18269983
  H     14.19457546      7.32256541     -8.90163178
  H     18.14270655      7.77459316    -16.56917959
  O     20.46612517     10.68029885    -14.09467842
  H     14.64261113      9.24702042    -15.42737657
  H     16.92652489      7.09679756    -17.25328351
  O     18.36784362      6.93961698    -13.28492570
  H     13.16689354      9.07237474    -14.97019666
  H     17.66642291     11.93505730    -11.08743851
  O     12.51010448      7.78097175    -11.90436562
  H     18.44708686      8.30016492    -14.49892874
  H     16.55753685     12.98204875    -10.88444428
  O     15.96751763     12.63791375    -13.87593738
  H     19.24758545      9.56400031    -14.91567007
  H     14.54127785      7.59262535    -16.78001913
  O     11.95653302      9.75609327    -13.65733830
  H     21.34563263     10.93775719    -14.35984510
  H     14.53382409      7.03376162    -18.21733122
  O     13.86163368     11.41158320    -12.39650759
  H     19.97682152     11.50206490    -13.92062716
  H     15.85695651      8.58076626    -12.36116208
  O     14.76451798     12.71265631    -10.15111062
  H     17.58780257      6.84686461    -12.72066824
  H     16.02370080      9.67664116    -13.46457290
  O     18.20047218      4.96509247    -15.29978346
  H     18.37610556      6.17738452    -13.87740678
  H     18.61673055     13.02431582    -12.75587956
  O     15.96383914      6.83298956    -11.88127346
  H     13.06902809      7.83190778    -11.12019550
  H     18.24155266     13.11952476    -14.23124883
  O     17.86855713      6.99473724    -17.07033840
  H     12.91869044      7.12275679    -12.48387626
  H     18.66712399      9.73038108    -10.98682691
  O     17.36868622     12.81202179    -11.37585393
  H     16.50957322     12.68988876    -13.07646587
  H     17.18713156      9.97373693    -11.37760539
  O     15.01198071      7.00459590    -17.39166705
  H     15.09038521     12.40339644    -13.54662972
  H     13.99801174      7.14829328    -14.33810435
  O     15.87291405      9.53190831    -12.52258165
  H     12.09384815      9.06674904    -12.98083699
  H     14.41198404      5.65901441    -14.33379400
  O     18.98316895     12.94141984    -13.64861835
  H     11.01477641      9.82950365    -13.78740980
  H     19.54375223      8.10012849    -12.31723015
  O     17.86395930     10.19686595    -10.72008162
  H     13.10835834     10.99345628    -12.82723095
  H     20.23257310      9.45289786    -12.60199387
  O     14.03580235      6.35930561    -13.78110890
  H     14.54584082     10.72493018    -12.33589852
  H     16.47763012     10.10714608     -9.48094788
  O     19.96218693      8.85963498    -11.89103874
  H     14.33182717     12.31341281    -10.92491000
  H     15.24745254     11.01077027     -9.31219371
  O     15.58193123     10.12926422     -9.11474371
  H     14.15918170     13.36225083     -9.80232890
  H     15.23205934      5.40105267    -16.30244644
  O     15.33996522      4.77003254    -15.57961382
  H     18.14757030      5.64076085    -16.00024920
  H     16.29026390      4.71090249    -15.42312384
          69
 Energy    -248.00084600769853     
  O     11.80222002      3.78046591    -10.94064498
  H     11.70037197      3.91807406     -9.99124912
  H     17.32101341      5.88851125    -17.34417907
  O     17.78289515      3.99382712    -11.37788910
  H     12.47158589      4.42575779    -11.20465671
  H     17.12033158      6.00637600    -13.36758490
  O     15.02852771      8.29422579    -11.34908779
  H     17.14986087      3.34789945    -11.04580143
  H     17.13030722      5.38453686    -14.78376482
  O     14.48539548      9.31094211    -15.56578987
  H     17.53887607      4.20008817    -12.28925085
  H     14.32206213      5.32738885    -10.66912270
  O     18.60907081      6.29244520    -10.21668911
  H     14.88785294      8.55431311    -10.43007194
  H     14.19869024      5.15433081    -12.23128057
  O     14.80036506      4.53855838     -9.10423056
  H     14.67783470      7.39610719    -11.43109818
  H     14.07017624      2.59884148    -12.61248143
  O     15.86673532      2.19707796    -10.19321615
  H     14.46915735     10.08243734    -16.12700910
  H     12.98705103      2.39884710    -11.53929310
  O     13.07909430      9.35892346    -13.08150494
  H     15.41954446      9.14881969    -15.34454418
  H     15.25693836      7.97903607     -8.46108268
  O     14.36683440      6.63243772    -16.47837177
  H     19.52497955      6.21922297     -9.96124643
  H     14.72615579      9.36359661     -8.00817826
  O     12.11577368      4.60726718     -8.24681559
  H     18.34949312      5.42628034    -10.58063650
  H     11.79456761      7.41274411     -9.83758969
  O     17.07584684      8.62272319    -15.04739604
  H     15.14851593      3.67369745     -9.35698469
  H     12.87947757      7.74810619     -8.78563159
  O     17.01578767      6.11476173    -16.47036170
  H     13.92671180      4.42492658     -8.70784081
  H     17.95486601      7.24849333    -11.70634244
  O     17.00926149      5.17382952    -13.84913796
  H     16.14213022      1.34483995     -9.86660139
  H     16.61386786      7.92394383    -12.07062292
  O     13.94121015      5.70150326    -11.47633103
  H     15.12970144      2.03965854    -10.81051542
  H     17.19768949      6.63104689     -8.98509191
  O     13.79350748      2.00711475    -11.89748569
  H     13.46462250      9.36533492    -13.96492620
  H     15.90490870      5.89521417     -8.57189305
  O     14.55863355      8.64321127     -8.60965235
  H     13.81359740      9.15466228    -12.48636973
  H     12.01133607      8.17377250    -12.24387833
  O     12.08898136      7.21656097     -8.93840024
  H     14.25411908      7.54409016    -16.17931353
  H     12.44757988      6.81370818    -11.66112799
  O     17.43196745      7.56982418    -12.45025996
  H     13.64168229      6.11956457    -16.10429123
  H     13.88480826      4.32563914    -14.30689221
  O     16.41623874      6.70346167     -8.42497357
  H     12.05953425      5.55976699     -8.45096713
  H     15.38152030      4.42826216    -13.82117289
  O     11.69234239      7.41486447    -11.73236020
  H     11.64762946      4.47332017     -7.42767460
  H     10.91179256      6.07493878    -12.77408541
  O     14.50813896      4.06600361    -13.61715869
  H     17.31784962      8.37362223    -14.14581072
  H     10.88494216      4.56650464    -12.49291274
  O     10.81484597      5.21368693    -13.20420746
  H     17.21222756      7.83356972    -15.58570758
  H     11.82771102      5.03237529    -14.61182449
  O     12.44761680      4.87162406    -15.34462838
  H     16.05218677      6.25281307    -16.53246866
  H     11.98629485      4.31787558    -15.97011577
          69
 Energy    -248.00082540858324     
  O     16.66189071     10.14200402    -16.76437586
  H     17.14332339      9.52176726    -16.18789608
  H     18.77545299      5.90169347    -12.50195655
  O     15.85995975      5.86519371    -13.86280818
  H     16.06554178     10.61097426    -16.16639473
  H     20.50479748     10.87443940    -16.28112243
  O     16.57837899     13.62919471    -11.81520744
  H     16.37624649      5.71115962    -14.66691548
  H     22.03703039     10.85431481    -16.49672133
  O     20.46615015      8.91205184    -13.95519412
  H     16.48524564      5.75888264    -13.13688209
  H     18.79582213      8.54623489    -14.76618783
  O     16.19299145      6.34544535    -18.49316883
  H     16.99844415     13.16346463    -11.08121120
  H     17.77993002      7.52420622    -15.36672477
  O     15.64339554     10.24120954    -10.74291866
  H     15.69775912     13.24248156    -11.90181478
  H     17.27246598      8.49334895    -13.23276491
  O     17.67488890     12.14734822    -13.86289946
  H     20.87833389      9.40970753    -14.67312432
  H     17.47505107      7.60569237    -11.98826338
  O     20.14766575      6.17209299    -13.53132267
  H     20.18382870      9.54328921    -13.28130040
  H     14.45107059      8.01045782    -16.16683547
  O     14.34193588      8.09294608    -14.26040195
  H     15.71040968      5.87072378    -19.16404696
  H     15.26518642      8.87104167    -17.13640867
  O     20.28036774      5.45626324    -16.29073330
  H     15.55137432      6.91690400    -18.03283670
  H     18.45145316     11.41258326    -10.64182959
  O     17.52211478      5.82456650    -16.08428369
  H     16.34762532     10.74569158    -10.31725303
  H     18.46225974     11.97643995     -9.20433522
  O     17.98569297      5.83415218    -11.93472711
  H     16.08785646      9.56598800    -11.27382202
  H     18.49565384      9.78177365    -12.06122285
  O     21.30076474     10.31597321    -16.21984657
  H     17.37310946     12.82260316    -13.23881062
  H     18.68964900     11.14754194    -12.76078044
  O     17.87119493      8.41891758    -15.01360276
  H     16.89787978     11.61494281    -14.07992150
  H     13.33975870     12.18367901    -11.76353052
  O     17.24058917      8.50009900    -12.26605915
  H     20.38451867      7.10789715    -13.59548676
  H     14.64009802     11.35233631    -11.61512322
  O     14.68422254      8.10112349    -17.09855695
  H     20.25270043      5.81831745    -14.42212678
  H     20.81866497      8.68660532    -17.10812595
  O     17.90126138     11.83688955     -9.96302237
  H     14.89125585      7.31259229    -14.06979765
  H     19.65828816      8.10538605    -17.95130502
  O     19.08979452     10.54678187    -12.11274417
  H     13.50865541      7.94499722    -13.81931244
  H     14.99101075      9.87592989    -14.34153350
  O     14.19257604     12.02690866    -12.15932313
  H     20.86382584      4.84776756    -16.73486246
  H     14.77864350     11.29747869    -13.76620807
  O     20.45589878      7.86598652    -17.45685331
  H     20.40088901      6.32522262    -16.71815893
  H     18.66504731     12.04226115    -15.42092550
  O     15.24519838     10.80193376    -14.45152679
  H     18.44556719      5.56855247    -16.20302447
  H     18.25973926     11.31082331    -16.69600721
  O     19.00859684     11.74700487    -16.27581727
  H     17.11906507      5.90456221    -16.95812558
  H     17.46715259      7.76334893    -18.77540009
  O     18.05938974      8.52191846    -18.70341867
  H     18.20371869      5.22990173    -11.23088944
  H     17.56144204      9.19515644    -18.22621483
          69
 Energy    -248.00078937943812     
  O     15.55054444      9.47359814    -16.09253445
  H     16.25570171      9.14798235    -15.51142827
  H     16.37977871     10.30494067    -17.41478508
  O     14.67529408     12.82043888    -15.20685964
  H     14.89023617      9.83129745    -15.49218225
  H     15.92887472     12.11106880    -11.63546110
  O     19.62943025      9.86088161    -10.99115790
  H     15.57672209     12.52172533    -15.01086433
  H     14.72536338     11.76402653    -10.73807961
  O     19.99955064     12.39660834    -11.98177168
  H     14.10789841     12.15153594    -14.80998444
  H     20.29404235     16.57845945    -13.70672411
  O     16.91215100      9.12331565    -11.51446941
  H     19.79809757     10.78189866    -11.24936599
  H     18.99145648     16.19930747    -12.97997857
  O     17.49600798      9.07508054    -14.20068952
  H     20.22292128      9.66458419    -10.27005778
  H     20.18938945     11.93694220    -15.37082437
  O     15.39266890     13.20296505    -17.88405633
  H     20.20213899     12.18762588    -12.90616252
  H     21.39395303     12.56038625    -14.59970848
  O     18.66288236     14.97973148    -16.24394450
  H     20.54515690     13.15477843    -11.73648785
  H     15.98028497     14.81964576    -17.75758365
  O     21.51076016     14.69533892    -11.57821332
  H     16.34930601      9.89296080    -11.37474671
  H     16.04635526     16.27417946    -18.28206718
  O     18.77241049     12.23777683    -16.56409723
  H     17.80165478      9.37066804    -11.22783990
  H     20.13424370     15.85580670    -15.83183567
  O     13.83917900     10.52385445    -13.83174448
  H     17.20430679      8.94945979    -13.28628426
  H     21.20825307     16.92068212    -16.15677354
  O     16.87282953     10.77671115    -18.10933650
  H     18.46112716      9.00906161    -14.19635422
  H     17.95681938     15.12399850    -14.48957389
  O     15.21447890     11.46589931    -11.50196597
  H     14.99174319     13.04114007    -17.01851223
  H     16.57862683     15.54131660    -13.95764721
  O     19.90571485     16.47299346    -12.82863770
  H     15.89235739     12.40499240    -18.09134788
  H     22.20882493     14.28904036    -13.36664556
  O     20.75866737     11.82899754    -14.59920572
  H     17.89561734     15.30467825    -16.73347005
  H     21.93094657     14.84833237    -14.77042927
  O     16.31154084     15.71470974    -17.55738437
  H     18.75772164     14.03883631    -16.44749884
  H     20.13350091      9.27260892    -12.82732782
  O     20.92612139     16.30334928    -15.48697790
  H     22.01598132     15.12050051    -10.89097025
  H     20.54346042     10.02327056    -14.11209065
  O     17.47849360     15.32338479    -13.67417532
  H     20.92010785     15.37308491    -11.95484835
  H     17.24733326     10.87426697    -14.33019047
  O     22.29857369     14.08642498    -14.30534817
  H     18.21007110     12.14196549    -15.77647810
  H     17.28551915     12.25060933    -13.58164064
  O     20.21150366      9.17663908    -13.78347902
  H     18.31474773     11.73839030    -17.24881739
  H     14.78511788     14.67833574    -14.96061252
  O     17.16020497     11.83173848    -14.44005521
  H     14.32881897     10.80218560    -13.04308279
  H     15.38425687     15.80186236    -15.81808093
  O     15.06475518     15.60405057    -14.92960655
  H     13.17793353      9.90453107    -13.53075033
  H     18.26205534     12.90281305    -11.85971421
  O     17.33616513     13.14792673    -11.99465390
  H     16.93395910     10.17758251    -18.84887575
  H     17.33352358     13.97978942    -12.49186572
          69
 Energy    -248.00074048714842     
  O     15.93523911      8.91165947    -15.89624422
  H     16.54733356      8.88859290    -15.14723223
  H     16.72272137      9.61966780    -17.26177877
  O     14.46635734     12.35405433    -15.61456265
  H     15.08672038      9.19647263    -15.53797534
  H     15.84737518     13.09440187    -11.30346471
  O     19.49532347     12.66857315    -11.73730720
  H     15.30900035     12.20579903    -15.15805713
  H     14.81148490     13.11919232    -10.15722730
  O     14.48613688     10.15892923    -12.09007348
  H     13.92423926     11.59689999    -15.36737809
  H     20.39102089     15.84390709    -14.01599800
  O     17.72224668     11.00510008    -10.29080549
  H     19.85415786     12.48988604    -12.61480770
  H     18.95016718     16.19385146    -13.61066905
  O     17.61663695      9.22304619    -13.68078290
  H     19.97257266     13.43335771    -11.37895701
  H     19.91114257     12.02011284    -15.07543803
  O     15.56705386     12.39986450    -18.19419164
  H     15.13711373      9.54006962    -11.73887622
  H     20.91328144     13.09278619    -14.61906496
  O     18.71539356     14.55150497    -16.76182314
  H     14.66756387     11.00069394    -11.65456578
  H     17.13931563      9.45068125    -10.75325688
  O     20.64434391     15.01938243    -10.98879193
  H     16.93194724     11.55919878    -10.28295243
  H     16.79937033      7.97063070    -10.44158564
  O     18.60508347     11.84102396    -16.30975064
  H     18.41081591     11.51326917    -10.73990925
  H     16.11202210     14.03029164    -18.33202500
  O     13.52929989      9.88045030    -14.62463179
  H     17.32033312      8.91120989    -12.81677121
  H     16.12762624     15.37745493    -19.09484639
  O     17.20728108     10.07036502    -17.97774104
  H     18.58167298      9.28165071    -13.65184584
  H     20.31745490     14.80673930    -16.01786959
  O     15.31278714     12.53158823    -10.71678286
  H     15.08593706     12.34521975    -17.35637149
  H     21.82846569     15.13244140    -16.02350418
  O     19.86585995     16.23941725    -13.30921505
  H     16.10777882     11.60354119    -18.24082696
  H     17.87805041     15.19706044    -15.19301420
  O     20.53339979     12.24409831    -14.36655741
  H     17.99854119     14.81048273    -17.35449317
  H     16.44099614     15.54426073    -14.78859241
  O     16.71349517      8.64734339    -11.10662055
  H     18.67482235     13.58568808    -16.68987665
  H     20.94188396      9.43161533    -12.75761914
  O     16.40278591     14.95999399    -18.28332902
  H     20.86764258     15.65694711    -10.31671715
  H     20.57761104     10.48107970    -13.81333784
  O     21.11705900     14.82986000    -15.46438456
  H     20.37641203     15.53235481    -11.77072718
  H     17.01401667     10.94018612    -13.94433497
  O     17.35264591     15.54296315    -14.46047272
  H     17.93575614     11.87153029    -15.60656133
  H     16.90026753     12.45989878    -13.55504534
  O     20.36711290      9.58746359    -13.50431539
  H     18.28001840     11.21150987    -16.96279295
  H     14.63839282     14.26083732    -15.66011735
  O     16.81600668     11.82624101    -14.27652338
  H     13.84869296      9.98475152    -13.71049288
  H     15.34248387     15.20819562    -16.64653382
  O     14.96668056     15.16418127    -15.75880751
  H     12.69701077      9.41848368    -14.57005451
  H     17.94171444     13.52672891    -12.08756614
  O     17.05405148     13.81577099    -12.34319376
  H     17.42498567      9.40324326    -18.62255110
  H     17.14373429     14.49054326    -13.02957060
          69
 Energy    -248.00066154872351     
  O     10.67128080      8.36505987    -13.19318943
  H     11.39922784      8.98897358    -13.29536900
  H     15.52838057      4.82009204    -14.02269936
  O     17.49391883      6.60041736    -12.35646167
  H     10.80235825      7.69468641    -13.87428615
  H     12.76427722      5.52300307    -12.42646373
  O     15.70154250      3.12608655    -13.47836601
  H     17.98715149      7.17407002    -12.95733442
  H     14.24292638      5.90220128    -12.66339394
  O     15.94213865      6.13772711     -8.78125301
  H     17.07765066      7.18022564    -11.70289148
  H     10.04666199      7.89217763    -11.63298937
  O     15.37917908     11.36175451    -13.78127074
  H     16.08225890      3.32676563    -12.61495574
  H      8.83393181      7.94154550    -10.67556737
  O     11.90536173      7.99401771     -8.99792686
  H     14.84673558      2.71294923    -13.30551887
  H     19.26393088      8.58214765    -14.70451625
  O     13.85736753      7.65326921    -15.22136074
  H     16.41401984      6.24562563     -7.95870224
  H     17.72182218      8.70444055    -14.68123327
  O     13.11763327      2.14056972    -12.67373626
  H     16.10661743      6.94206244     -9.30221694
  H     13.52072645      7.69617911    -11.48445819
  O     17.40293640     10.20217397    -12.07785664
  H     14.53844458     10.89071783    -13.65398534
  H     13.03278365      8.55747873    -10.29024227
  O     14.21456293      2.90100032    -10.30988689
  H     15.15920239     12.27504038    -13.94670092
  H     16.43636426      4.81167440    -10.11069110
  O     13.25197800      5.42806021     -9.36023491
  H     11.09017949      7.90312398     -9.50988905
  H     17.06006817      4.96646836    -11.48976125
  O     15.45160108      5.78502390    -14.02072388
  H     12.27568469      7.10611694     -8.92711962
  H     15.33790942      8.44255825    -10.64139587
  O     13.50472134      6.01454399    -12.05187931
  H     13.00027968      7.22497891    -15.32562580
  H     16.74858003      9.02867185    -10.88347115
  O      9.71535693      7.58945202    -10.76925346
  H     14.44737860      6.97476264    -14.85638415
  H     15.44713735      8.70327027    -15.57469022
  O     18.50276927      8.49795643    -14.13682183
  H     13.45177101      2.35422970    -11.78376351
  H     15.98185647     10.03430249    -15.00937248
  O     13.61287516      8.56526022    -11.06359884
  H     12.89934062      1.21189869    -12.66917589
  H     11.33715571      4.95860595     -9.99223640
  O     16.61163760      4.32241190    -10.92472942
  H     17.91671601      9.72080610    -12.73760929
  H     10.22081670      5.80470807    -10.63402146
  O     16.27846127      8.29168547    -10.46647380
  H     16.72797602     10.68011415    -12.57562260
  H     13.34744185      9.42253735    -12.58019278
  O     16.24926982      9.22844202    -15.47000499
  H     13.76479316      3.59953247     -9.82164117
  H     13.43115424      9.03335333    -14.09013385
  O     10.60979939      4.91883890    -10.62076332
  H     15.08447010      3.26589190    -10.52066220
  H     11.34949843      5.57801879    -14.46987989
  O     13.18574683      9.74593579    -13.48093180
  H     14.10609375      5.65852674     -8.97211545
  H     10.75877878      6.03687940    -15.82107378
  O     11.31153432      6.32011351    -15.09641836
  H     13.35176527      5.60385047    -10.31098923
  H     12.01363873      3.57197638    -13.09935964
  O     11.49956491      4.38839047    -13.14837077
  H     16.21117030      6.12424182    -13.52843745
  H     11.04575356      4.49140550    -12.29670953
          69
 Energy    -248.00050507980598     
  O      3.94072943     -4.22335009      4.80064940
  H      4.89387845     -4.30099331      4.97596783
  H      4.20235740     -4.47163684      2.92515320
  O     10.08938960     -2.06532475      4.81114739
  H      3.50565183     -4.85734265      5.36613618
  H      4.23632652     -0.99870000      2.05734637
  O      8.34372448     -4.24454318      7.40228491
  H      9.46339535     -1.86808226      5.52014693
  H      5.38305958     -1.31783618      1.04167425
  O      6.67999533     -1.82926315      3.83678855
  H     10.32995496     -1.21455982      4.42199720
  H      7.50221139     -1.19111777      6.78375267
  O      5.91490125     -0.56484073      6.21446523
  H      8.40877617     -4.79420775      8.17823262
  H      8.39852084     -2.34789680      7.30039842
  O      6.77008370     -0.77942241     -0.07479154
  H      9.05815886     -4.52061465      6.79937015
  H     11.09907964     -2.07037441      1.78220890
  O      6.63341566      2.16162888      5.96201177
  H      5.98464635     -1.84836640      3.16471685
  H     12.57042925     -1.70276520      1.55633429
  O      7.87651477      0.18167481      2.34087655
  H      6.36182078     -1.31472800      4.59274567
  H      4.19197239      0.84883573      3.15123340
  O      6.67638215     -4.25982806      5.10923080
  H      4.99223195     -0.80871245      6.04762922
  H      2.68724035      0.90061410      2.78688324
  O     10.16308162     -4.81722892      5.47973459
  H      5.99558616      0.39582206      6.17582492
  H      7.77522338     -5.16729759      3.91405255
  O      5.69050624      1.67766895      3.35705701
  H      7.19677113     -1.65683257     -0.03583295
  H      7.88856191     -5.72546838      2.48610792
  O      4.50652821     -4.43500600      2.01150097
  H      6.82766782     -0.48108183     -0.97772371
  H      9.68103614      1.00499273      5.15615117
  O      4.81398407     -1.69729852      1.72369637
  H      6.58271068      2.89900031      6.56379477
  H      9.07720410      0.30694191      6.40266241
  O      8.42080453     -1.44779703      6.95500695
  H      7.56647663      1.88066731      5.94065311
  H      9.37815487     -4.11396173      2.55972344
  O     11.70683689     -1.32044175      1.69529387
  H      7.59608759     -0.56410758      2.89283003
  H      9.76597615     -2.76697313      3.17709292
  O      3.39370004      0.30446491      3.01938995
  H      7.61297365     -0.03630063      1.43863819
  H      3.54306737     -2.33429004      5.07048363
  O      8.40808014     -5.52608426      3.27539440
  H      7.15877344     -4.23365792      5.94398965
  H      3.33569233     -0.89113585      4.52740020
  O      9.14470227      1.15425139      5.94480529
  H      6.79314755     -3.40490357      4.66427600
  H      7.48187746     -4.02056170      0.39984825
  O      9.75149287     -3.25083727      2.33870662
  H     10.34911529     -3.90586590      5.21185697
  H      8.59522556     -3.09917137      0.93189801
  O      3.48572831     -1.40672858      5.32939051
  H      9.74725102     -5.23975178      4.71881109
  H     10.99473537     -0.03944007      2.85248331
  O      7.91002597     -3.16991650      0.25260122
  H      6.46768936      1.27768084      2.94669368
  H      9.53711195      0.42179309      3.04462708
  O     10.39694702      0.37521707      3.48985716
  H      5.97738186      1.97312183      4.23000220
  H      6.43674739     -6.35810475      0.43659236
  O      6.70481215     -5.65603048      1.02332161
  H      4.54555210     -3.49260797      1.79424202
  H      5.88833010     -5.26255900      1.38143778
          69
 Energy    -248.00043260086537     
  O     -3.14503380      0.11751416      1.88209565
  H     -3.89982534      0.14309190      2.48046965
  H      0.11619710     -5.67526268      0.95235995
  O     -3.98301110     -1.05444543      6.07263530
  H     -2.35972058      0.07514794      2.44680327
  H      2.33815188     -0.54829288      3.53351856
  O     -0.84533296     -0.20592613      3.38330294
  H     -4.35139663     -1.94337895      6.14473175
  H      2.61301560     -1.98653683      3.05526111
  O      1.35766141     -2.71244294      5.87347077
  H     -3.02275627     -1.16377459      6.08225291
  H     -1.21282835     -3.20501148      2.22175098
  O     -4.85130003     -3.78372962      5.81766933
  H     -0.05180702      0.32840622      3.26375188
  H     -0.65078897     -2.46365330      1.00599636
  O     -1.25894118     -1.64480840      5.68380559
  H     -0.71004679     -1.02317502      2.87482424
  H     -3.34010603     -4.32147149      1.95660136
  O      0.27164739     -5.13624097      4.76702807
  H      1.82108690     -2.22870798      5.16693230
  H     -2.54293548     -4.48646845      3.29491634
  O     -5.84605389     -2.69757900      3.37108542
  H      1.94807825     -2.73229042      6.62241410
  H      2.18020922     -2.73549000      0.69075693
  O     -1.68966026      0.68170990     -0.45719579
  H     -3.94254245     -4.04733675      5.59186183
  H      1.16900789     -2.85755638      1.84954688
  O      1.59626825     -5.67023404      2.24470838
  H     -5.17280240     -4.42058601      6.45052871
  H     -5.57078378     -4.39970054      0.74212663
  O     -0.78152175     -3.00985379     -0.80637351
  H     -1.14726128     -1.06029272      4.91911584
  H     -5.31224015     -3.40289416      1.89894030
  O     -0.66841146     -5.48138088      0.42754979
  H     -0.37782282     -1.97859254      5.89255848
  H      0.83519888     -2.39684898     -1.06412297
  O      2.59984762     -1.42484754      3.84101751
  H      0.69950685     -5.36936580      3.93557691
  H      2.11360621     -2.15808059     -1.90286257
  O     -0.58964592     -2.51176371      1.96872109
  H      0.74008779     -4.36733613      5.11683993
  H      1.43184669      0.82347303      1.83084897
  O     -2.47925881     -4.54150511      2.33318753
  H     -5.59677291     -3.11088456      4.20678107
  H      1.93333747      1.90657189      2.81709909
  O      2.08973457     -3.04208987      1.60086081
  H     -5.69741254     -1.75054385      3.48307037
  H      0.08964935      0.55944440     -0.05762512
  O     -4.91230894     -3.81926061      1.11415712
  H     -2.10160120     -0.04315693     -0.93317443
  H      1.32500986     -0.35591594     -0.25334698
  O      1.74683759     -2.05505067     -1.02884813
  H     -2.20794861      0.74557118      0.35766389
  H     -5.75142315      0.72068336      4.12753297
  O      1.60051269      1.01473820      2.77272863
  H      2.35598908     -6.24440762      2.18077124
  H     -4.71100587     -0.28037961      4.68195451
  O      1.00252770      0.41234686      0.22890831
  H      1.89875163     -4.77951861      2.00214375
  H     -1.99032217     -3.27290014      5.25720622
  O     -5.15798460      0.01971175      3.87026780
  H     -1.68490059     -2.67697012     -0.70678659
  H     -1.43255137     -4.69088809      5.01960161
  O     -2.25789722     -4.18584772      5.07905924
  H     -0.75587220     -3.92740874     -0.49032202
  H     -3.19156307     -1.25144628      0.56676958
  O     -3.22123100     -1.91422291     -0.13737112
  H     -1.36547054     -5.31455592      1.07865509
  H     -3.86113478     -2.57204861      0.15977443
          69
 Energy    -248.00030127138703     
  O     12.67122548     11.41793485    -15.70298676
  H     12.66220042     11.27252785    -14.73989568
  H     16.12574954      5.28111024    -15.09005861
  O     15.90050393      6.94551574    -12.74820576
  H     11.99584892     12.06617622    -15.88404455
  H     18.57284627      4.77861575    -15.75313583
  O     18.95817661     11.89837518    -12.98494813
  H     16.86053704      7.01401783    -12.84213871
  H     17.84476406      6.09633967    -16.10854018
  O     17.18856708      9.83852579    -16.56526419
  H     15.58117448      6.37063846    -13.45649418
  H     15.76690677      9.96585609    -14.09176993
  O     12.62435762      6.75729209    -14.28863554
  H     19.52942565     12.66133312    -12.98263934
  H     15.68440431      8.42354833    -13.81468672
  O     16.54990355     11.19465328     -8.92531461
  H     18.97599703     11.52451662    -12.08541861
  H     12.29803788     10.00758685    -12.74438684
  O     14.40529397      8.26664945    -10.89003040
  H     16.73488401     10.67855802    -16.71017281
  H     13.30402137     11.11062689    -12.38019879
  O     16.21207755     11.61923095    -13.50355440
  H     16.67127832      9.42363873    -15.85665289
  H     18.82715639      7.61965687    -11.50459729
  O     17.31290151      7.17442340    -17.35874877
  H     13.34689947      6.13383775    -14.40863947
  H     19.57422967      7.40116563    -10.17547898
  O     16.48345957      8.49058582     -9.03149709
  H     12.75965207      7.44708969    -14.95437903
  H     11.01987961      7.96056091    -11.83527284
  O     14.50246546      6.69070884    -17.49000052
  H     16.50962165     10.22283505     -8.85386451
  H     12.11801513      7.65101194    -12.87947563
  O     15.17917572      5.45777972    -15.00655116
  H     16.47128456     11.54033125     -8.04047348
  H     19.17406616     10.36317404    -14.05119109
  O     18.01854295      5.46313371    -15.38732902
  H     13.48736678      8.20924665    -11.18033021
  H     18.60778218      9.71258447    -15.33015285
  O     15.54670516      9.10660960    -14.47815345
  H     14.92570031      7.73825278    -11.51458393
  H     18.54254468      6.54363010    -13.92852686
  O     12.62238151     10.87353773    -13.01975065
  H     17.14989217     11.76493879    -13.32714985
  H     18.83145068      8.05171778    -13.69328472
  O     18.86096696      7.89507506    -10.57465100
  H     15.76378621     11.52037549    -12.65276340
  H     18.90597277      9.80204258    -10.54199515
  O     11.88625169      8.22815577    -12.13058858
  H     17.39549108      8.13090008    -17.24254317
  H     18.11827467     11.00322349     -9.97200043
  O     19.14433144      9.53618641    -14.54666545
  H     16.38137293      7.01578124    -17.55421512
  H     14.70059263     10.06579760    -11.11069639
  O     18.61412247      7.21823963    -13.24292234
  H     17.24179534      8.17181417     -9.53537620
  H     15.34547863     11.26875279    -10.40017594
  O     18.85339362     10.76538181    -10.55010847
  H     15.69992923      8.30471897     -9.56807701
  H     15.76723758     12.08459586    -15.28660424
  O     14.83184426     11.02305281    -11.17830304
  H     13.94008395      6.38029776    -18.19508170
  H     14.55486061     11.88735383    -16.19070340
  O     15.50223885     12.06008098    -16.21674624
  H     14.07639883      7.48208980    -17.11900362
  H     12.99662516      9.63157062    -16.15047964
  O     13.40388373      8.76018724    -16.09636195
  H     14.91646398      5.81467295    -15.86578291
  H     14.17173028      8.87850440    -15.51144315
          69
 Energy    -248.00022209189680     
  O     17.53505454      7.74631505    -12.67748200
  H     18.04826950      7.94878110    -11.88458676
  H     16.26817271      7.76801588     -6.23546075
  O     11.98832816     10.73620226    -11.79280823
  H     16.91904545      8.49116104    -12.78571185
  H     13.92538128      8.76179932    -10.47667065
  O     18.72444034      8.30989632    -15.08381695
  H     12.77092480     10.46391674    -11.28580005
  H     14.76417185      9.65028702    -11.44395467
  O     15.33959726      6.08196088    -12.24946364
  H     11.45187201     11.26442467    -11.20620205
  H     18.49844933      7.08072316     -9.46163955
  O     18.73965236      8.68140969    -10.37423298
  H     19.23266859      7.58161635    -15.43189272
  H     17.60719176      6.79685470     -8.24620086
  O     20.02824475     10.97149276    -11.34366406
  H     18.33503370      8.00651779    -14.24693210
  H     16.45240796     12.47039534    -12.19557174
  O     16.55880328      9.87072014     -9.08521285
  H     16.11479992      6.63133541    -12.43411991
  H     16.55372920     12.57774930    -13.75492872
  O     11.49612731      7.94419503    -12.35305505
  H     15.63315758      5.43993280    -11.58925741
  H     16.71463680      3.70822985     -9.98956334
  O     16.86011678     10.09922873    -16.33863468
  H     17.97622113      9.09586418     -9.94419326
  H     17.05329022      5.19580026     -9.73624894
  O     13.47176351      6.89996885    -14.19454806
  H     19.30878252      9.40396514    -10.66598651
  H     15.26865163      9.54000090    -13.76667553
  O     14.36271491      9.35506567    -15.33729411
  H     20.86684215     11.39648806    -11.18591457
  H     15.91554532     10.65768117    -12.91729286
  O     16.33023632      7.78284910     -7.18682791
  H     19.91423826     10.92256151    -12.30992275
  H     19.40191840      9.96786279    -14.40640443
  O     14.25175782      9.66137194    -10.62080413
  H     15.70973370      9.84115505     -9.54853475
  H     19.01070233     11.45891924    -14.41598215
  O     18.09411449      6.36236232     -8.95744068
  H     16.48408106      9.25748865     -8.34326835
  H     17.32468437     11.64858216    -15.71245357
  O     15.94126751     12.44400150    -13.01952338
  H     12.07007459      7.68437944    -13.08399323
  H     17.76025670     13.11678167    -15.93776517
  O     16.37985867      4.59394514    -10.10272602
  H     11.54678250      8.90592955    -12.28854968
  H     14.00704719      6.71001347    -11.10225590
  O     15.73832180      9.70734499    -12.93987314
  H     17.45848944      9.41563575    -16.01417410
  H     12.55529886      7.26818302    -11.05297754
  O     19.60082954     10.81890567    -13.99908805
  H     15.96346324      9.80709586    -16.12384611
  H     18.34346235     11.79645239    -10.92062532
  O     17.64858931     12.45147012    -15.26405086
  H     14.12886637      6.56442320    -13.56484355
  H     17.12106425     11.46876777    -10.05217788
  O     13.32727468      7.05690740    -10.50834924
  H     13.18618147      6.14722574    -14.70911681
  H     12.82154507     11.39739112    -13.36650570
  O     17.43769679     12.07217634    -10.73477438
  H     13.92454671      8.54822055    -15.04436993
  H     14.16883800     12.04144939    -13.75040522
  O     13.38707773     11.60973822    -14.11919352
  H     13.86856708     10.12816572    -15.01712548
  H     15.14024299      5.37587804     -8.79955286
  O     14.60827692      6.00147317     -8.29394231
  H     15.64924613      7.17212455     -7.52185355
  H     13.99732987      6.38533721     -8.93882028
          69
 Energy    -248.00017417973464     
  O     16.18348975      5.09114769    -13.80718836
  H     15.33414503      5.29920071    -13.39871296
  H     19.48964178     11.34395025    -17.58621297
  O     17.00393169     13.30470532    -11.02400390
  H     16.11704098      5.40088021    -14.71725674
  H     16.39307484      8.34527604    -13.75773723
  O     19.57218019      9.09944383    -14.82874913
  H     17.84042708     12.97694478    -10.66866990
  H     16.61336370      9.30999050    -14.96893166
  O     17.38322264     10.03914855     -9.22577886
  H     16.31522319     12.87435303    -10.50251585
  H     13.87500604     10.32933498    -14.00535678
  O     15.47156845      8.16863915    -12.17767979
  H     18.66023205      8.78566514    -14.70731646
  H     14.52591352     10.51428029    -15.38216169
  O     16.99705851     11.77397452    -13.29861144
  H     19.54827134      9.69134617    -15.58996140
  H     18.29665297      7.14525401    -11.50041204
  O     19.81738209      6.31988234    -15.02650070
  H     17.60322168      9.23026647     -9.70352526
  H     17.03683456      8.02307760    -11.40303878
  O     13.70472978      6.11278307    -12.82176631
  H     18.10807925     10.65401028     -9.39694840
  H     14.21922458      6.96444705    -15.75728619
  O     18.54248791      5.85346281    -17.37445931
  H     15.04123921      9.03394206    -12.15416338
  H     13.53885986      8.23830983    -15.18531006
  O     16.04555620      6.55990351    -16.31820234
  H     14.79862052      7.48728093    -12.29443030
  H     19.39422914     11.30792736    -11.00109892
  O     18.55824452      5.57504764    -12.55240216
  H     16.97268029     12.47637734    -12.63191981
  H     20.25224089     12.08873709     -9.97812703
  O     19.00145733     10.70144479    -17.07872070
  H     17.71139929     11.18132500    -13.03034267
  H     19.48671705      9.86050097    -13.18293559
  O     16.89749630      8.47670090    -14.57062164
  H     19.95205549      7.27517751    -14.96675505
  H     18.75324452      9.39049611    -11.89819734
  O     13.83389401     10.02858669    -14.92247724
  H     19.45846700      6.04836110    -14.17356358
  H     15.89950446     10.95791376     -9.44969294
  O     17.96165109      7.96261575    -11.11402742
  H     13.51555410      6.51034059    -13.69290830
  H     14.68751127     11.68607598     -8.82209734
  O     13.47755404      7.27210779    -15.22469822
  H     12.89374128      5.72126785    -12.51133285
  H     17.52684852      8.63790555    -18.53668061
  O     19.35304041     11.86851292    -10.20692895
  H     18.90717543      5.08688243    -17.80867983
  H     18.61458583      7.59559722    -18.20870641
  O     19.13307224     10.16567828    -12.33749828
  H     19.03749453      5.96986150    -16.54373201
  H     15.39683343     11.12769129    -12.66167170
  O     15.15074382     11.54947608     -9.64415516
  H     16.81744379      6.21830083    -16.78818931
  H     14.58755957     11.06077180    -11.35300025
  O     18.48584320      8.49739530    -18.52226528
  H     16.38232318      7.21805081    -15.68657181
  H     16.60620336     11.39490488    -15.02896123
  O     14.58380626     10.77127900    -12.27427917
  H     18.84439303      4.75963558    -12.14678556
  H     17.28178770     10.94398098    -16.34666676
  O     16.44128827     10.93735025    -15.86860737
  H     17.70083456      5.38707279    -12.97402609
  H     15.68657084      8.10291028    -17.51779150
  O     15.78447594      8.91136803    -18.03545991
  H     18.88782280      9.91751083    -17.64781329
  H     15.75326498      9.63641820    -17.40435819
          69
 Energy    -248.00016634850536     
  O     16.78010389     12.94571444    -16.35315287
  H     16.83756347     13.71399553    -16.91437188
  H     16.64053924      7.54601581    -18.38632250
  O     15.47387004      7.10704498    -13.36822402
  H     15.90015659     12.96944572    -15.93499664
  H     14.56764690      9.88916566    -14.72391704
  O     18.52712643     12.09915080    -14.23894551
  H     14.87981269      6.40433550    -13.65048507
  H     15.38321309      8.72466581    -14.06080249
  O     18.39042266      6.98805068    -18.49540157
  H     15.26367235      7.35239969    -12.45327526
  H     13.37758707     10.96817396    -11.92454585
  O     13.15795031      8.35907574    -17.61941717
  H     18.01724531     12.45960460    -14.97316746
  H     12.50338339      9.77214686    -12.36435695
  O     17.53734033      9.39482841    -10.60451242
  H     17.88314447     11.88790223    -13.54900535
  H     18.82168614      7.54477277    -13.05870985
  O     11.36758201      9.19104885    -13.78615042
  H     18.74398444      7.49975312    -17.75096547
  H     19.59524289      8.87814092    -13.05407456
  O     14.24269919     12.67706404    -12.34460209
  H     18.61368221      6.07670540    -18.31367567
  H     13.06190745      9.80071888    -16.38666509
  O     14.96937041      8.12904655    -10.92962924
  H     14.08699145      8.14689089    -17.80846852
  H     12.37279938     10.10997117    -15.02757035
  O     13.97915633      5.06742208    -14.65232945
  H     12.70356812      8.34984937    -18.45877483
  H     19.56005406      9.04305531    -15.66085220
  O     16.04193709      5.55431301    -16.34002816
  H     18.11429744      8.94081403    -11.24516408
  H     18.23593375      9.18944985    -16.44369190
  O     15.82879122      7.91255967    -18.00879128
  H     18.01031993      9.41405313     -9.77701312
  H     18.23203564      7.29067654    -15.09233328
  O     15.43817209      9.62984285    -14.39745161
  H     11.60389866      8.36358411    -14.24342683
  H     17.11325024      6.82783622    -14.08495788
  O     13.12276290     10.07002405    -11.68747745
  H     10.42780518      9.15782657    -13.62753394
  H     19.71486603     10.84167720    -14.30503672
  O     19.12156192      8.25930038    -12.48473667
  H     14.24056558     13.35588809    -11.67411907
  H     21.21114961     10.44696265    -14.26908214
  O     13.04650711     10.42107874    -15.64750437
  H     15.11204412     12.24166379    -12.29963068
  H     16.80834427     11.12572205    -16.76271666
  O     18.95386099      8.57074372    -16.24398539
  H     15.79534075      8.56702161    -10.69486935
  H     16.33274860      9.96685096    -15.85483632
  O     17.95390295      6.57691187    -14.50073011
  H     14.31831845      8.82485754    -11.10840880
  H     16.16963585     10.64602353    -13.12391066
  O     20.33037504     10.08644692    -14.32408083
  H     13.93377822      4.14529350    -14.41492589
  H     16.89328758     10.67494670    -11.74485344
  O     16.74822900     10.16584396    -16.70946369
  H     14.68805791      5.15578362    -15.31494857
  H     14.25030124     12.91645162    -14.22554109
  O     16.55286615     11.23456215    -12.45378671
  H     16.79315271      5.75050983    -15.76415267
  H     13.81394401     12.10104833    -15.45522480
  O     14.33818794     12.86704693    -15.18524643
  H     15.93022640      6.33169391    -16.89979291
  H     12.67880488      6.32386858    -15.04533291
  O     12.11370806      7.06956093    -15.28247863
  H     16.09031767      8.75938184    -17.61687788
  H     12.45018437      7.40695183    -16.12147810
          69
 Energy    -248.00015870547830     
  O      0.27336135      7.96943453     -2.60242901
  H      0.72617625      7.53033451     -1.87059440
  H     -1.93739267     10.18414779     -2.95040267
  O     -1.91122269     10.22920255      0.35793193
  H      0.75458890      7.78282672     -3.41802044
  H      2.93619646     12.63940853     -6.76084562
  O      0.65869712     10.41837657     -5.46232843
  H     -2.77583572     10.13297828      0.74841764
  H      3.67723073     11.57163741     -5.92547793
  O      1.38072515     10.45059092     -1.90897992
  H     -1.99488961      9.97242300     -0.57764805
  H      1.13272468      9.90422766      1.23932617
  O      3.54909492     13.46463251     -0.53135651
  H      0.99542730      9.52024239     -5.37347460
  H     -0.31619069      9.45269127      0.97589834
  O     -1.53310585     11.45815780     -4.28935724
  H      1.41794876     10.98554436     -5.64616355
  H      4.13607484      8.72696530     -3.95529643
  O      4.76437690     10.18875481      0.74393614
  H      0.86552135      9.67383804     -2.15454154
  H      4.77424718      7.34877846     -4.19004025
  O      5.41975896      6.28672044     -2.81165754
  H      0.93992946     11.23795836     -2.25049934
  H      5.80019968     12.14381799     -2.30837226
  O     -0.45638442     12.65612413      0.02383895
  H      3.33294134     13.55349653     -1.46699162
  H      4.61492074     12.58961544     -3.21604706
  O      4.23366743      7.80343621     -0.75428370
  H      4.47533283     13.19567389     -0.49367878
  H     -0.48181421     12.55641364     -3.18612273
  O      2.88080719     13.29856995     -3.36563999
  H     -0.77139288     11.06522508     -4.75437294
  H     -0.09973511     12.94512997     -1.71540414
  O     -2.01347627      9.52406317     -2.25095176
  H     -2.15586809     11.72919523     -4.95849983
  H      2.99734612     10.09895854     -2.41697400
  O      2.87406781     12.11994872     -5.96283404
  H      3.86269639     10.52594824      0.81518711
  H      4.44916152     10.56455187     -2.75385742
  O      0.56328824      9.12576704      1.20679419
  H      4.68840060      9.29520080      0.38882121
  H      5.00636064      9.70553400     -5.45686499
  O      4.31755669      8.06780672     -4.64670494
  H      6.25603832      5.90874270     -2.55005062
  H      5.45263535     11.06862597     -4.85826816
  O      5.40952060     12.03731786     -3.18610697
  H      5.06722877      6.72206687     -2.02002064
  H      2.62107871     12.19160160      0.31038546
  O      0.22796106     12.89493139     -2.62703675
  H      0.38727220     12.41382235      0.42094599
  H      1.84733963     10.98157203     -0.26123026
  O      3.89376471      9.79023280     -2.60978840
  H     -1.03409109     11.89600657      0.17115125
  H      2.60067625      7.80375538     -4.98180734
  O      5.12990538     10.64007440     -5.66304351
  H      3.33956479      7.50153417     -0.55089371
  H      1.46930329      7.08166930     -5.74605534
  O      2.14011714     11.39025976      0.56979677
  H      4.14299390      8.52884569     -1.39409676
  H      1.18792806      7.77938428      0.31139791
  O      1.63567681      7.73849508     -5.07395418
  H      1.95105930     13.27697708     -3.09501266
  H      1.34566127      6.24377041      0.21573636
  O      1.53548225      7.05791414     -0.24411849
  H      2.87758703     12.98163243     -4.27821471
  H      6.88759218     12.44729896      0.03528216
  O      6.12962075     12.20098398     -0.48794953
  H     -1.33520842      8.85844020     -2.43013307
  H      5.71148890     11.44550140     -0.03760454
          69
 Energy    -248.00009724474424     
  O     16.53194197     11.08233575     -9.12775610
  H     17.05093097     11.42983424     -8.40787030
  H     14.06792846      6.36519265    -15.62262295
  O     12.34112726      6.20702463    -12.02959714
  H     16.98915473     10.28153762     -9.44260842
  H     14.51078757      8.23141306    -11.82635239
  O     17.06056982     10.28298919    -15.14686616
  H     12.94997017      5.64545392    -12.52287479
  H     15.70569527      8.70710620    -12.70189741
  O     17.52867148      8.80914100    -12.84660254
  H     12.85083293      6.59144328    -11.30169282
  H     14.78486569     10.36450024     -9.01711387
  O     16.24289786     12.69966522    -13.97982715
  H     16.24444418     10.01461687    -15.59103824
  H     13.39640743     10.70168470     -9.57623661
  O     14.00825744      7.51801914    -10.23131094
  H     16.88853162     11.15924409    -14.77818194
  H     14.41392525      4.85332546    -14.40055472
  O     14.66014258      9.58296569    -16.49523747
  H     17.44585569      9.38551756    -13.61863168
  H     13.99904875      3.61355818    -13.58073915
  O     13.78052349     11.82476225    -15.18127225
  H     17.89822845      7.97374183    -13.15881550
  H     13.46324366      9.92533317    -12.81984381
  O     10.99732789      8.13770459    -13.36414947
  H     16.01454054     12.59188056    -13.03905658
  H     11.95102636      9.76004004    -13.07472246
  O     16.60156557      5.29605457    -12.15192862
  H     16.60719242     13.57614837    -14.07205114
  H     16.55589731      5.91358154    -10.55241077
  O     13.34150337      7.80055548    -14.87559033
  H     14.81558915      7.09241311     -9.91813105
  H     16.71673926      5.62929357     -9.03877658
  O     14.61657362      5.63663555    -15.95495426
  H     13.91105883      8.36058298     -9.76163326
  H     19.39525139      6.10570678    -13.94509729
  O     14.74452047      8.64819020    -12.66670002
  H     14.14770904      8.94290460    -15.97902459
  H     18.36368960      6.84088664    -14.82692549
  O     13.88926160     10.01539552     -9.11175811
  H     14.32372818     10.45034730    -16.22714946
  H     17.33410072      7.98336668     -9.85763043
  O     14.23139935      4.53575876    -13.49897502
  H     14.56345288     12.22847643    -14.78674812
  H     17.71818014      8.89981522    -11.03947826
  O     12.63903907     10.42273670    -12.93954266
  H     13.29353512     11.42321468    -14.45037540
  H     15.74607723      7.53233102    -18.79426151
  O     16.48475295      6.31002860     -9.66433345
  H     10.07193048      7.92100338    -13.43083914
  H     15.43020983      8.28692264    -17.48628856
  O     18.48734471      6.39846069    -13.96874219
  H     11.41551934      7.42922945    -12.83949770
  H     15.95367232     12.00304306    -10.65492734
  O     17.68773130      8.85436250    -10.07351251
  H     15.79428486      5.02693314    -12.60686152
  H     14.57245767     12.42394358    -11.17924444
  O     15.86982356      7.49917842    -17.84878677
  H     17.21773157      5.59469994    -12.83116672
  H     17.45172475      7.65756406    -16.85171253
  O     15.51194488     12.43276702    -11.39751011
  H     12.43244480      7.88172923    -14.56856687
  H     17.96542089      8.77715378    -15.92930428
  O     18.14474722      7.87206350    -16.21477237
  H     13.90080710      7.99259376    -14.10580700
  H     12.61962200     11.51120726    -11.56316385
  O     12.75308344     12.06600995    -10.77517776
  H     15.14784194      6.03582130    -16.64925854
  H     12.00783415     12.65836269    -10.72421034
          69
 Energy    -248.00006310886636     
  O     15.78378365      8.49887608    -17.09140960
  H     16.54566009      8.84263851    -16.61395583
  H     15.03160180      2.64048772    -15.64452837
  O     13.88309483      5.32164181    -15.39244583
  H     15.04264252      8.48530593    -16.46768214
  H     18.97862648      2.93690557    -16.44914102
  O     18.33384182      5.68406843    -12.16069020
  H     13.76551353      4.43880722    -15.76011609
  H     18.22320109      2.76886577    -15.12221708
  O     18.47286277      3.10837360    -18.26648446
  H     14.82824807      5.51695515    -15.49346920
  H     18.53260128      4.94759075    -17.96951894
  O     15.82803074      3.64560232    -18.46891809
  H     19.06504202      5.41649307    -12.72945726
  H     17.59119335      6.14907511    -18.25535081
  O     14.92471641      7.84685668     -9.84749975
  H     17.91130812      6.43640669    -12.60359021
  H     17.24401398      5.67793330    -16.19222833
  O     13.99173071      5.21534105    -12.60935898
  H     17.50862202      3.21224476    -18.36394411
  H     16.81819368      6.28533991    -14.82244689
  O     17.03922371      7.61179288    -13.59689036
  H     18.77391217      2.60442021    -19.01756955
  H     13.89227596      8.30344310    -14.34221244
  O     16.42731620      2.96796111    -14.57555733
  H     15.21832417      3.33140241    -17.79141467
  H     13.54892562      7.22765443    -15.38789135
  O     13.30073804      5.36083016     -9.95010546
  H     15.68931408      4.59646666    -18.56409845
  H     14.75758788      4.42305173     -9.36889816
  O     19.80913257      7.25504560    -15.84309339
  H     14.30669680      7.12319125     -9.70457355
  H     15.50787621      3.45187769     -8.42933160
  O     14.28854046      2.65872884    -16.27267761
  H     15.80376230      7.45916867     -9.72080502
  H     19.87682443      4.26359421    -14.60790589
  O     19.09472120      2.96059612    -15.49170429
  H     14.81413817      4.73154172    -12.44771326
  H     21.17453056      4.73599562    -13.91769730
  O     18.35407225      5.86650274    -17.73371124
  H     13.82738995      5.18836066    -13.56076317
  H     16.13787766      3.68568488    -11.01093835
  O     16.65345842      5.56074764    -15.44040723
  H     16.17825090      7.86599182    -13.23809402
  H     17.05539646      4.43315463    -12.01912874
  O     13.71319999      8.17322514    -15.28191987
  H     17.36231640      8.32398294    -14.16191729
  H     16.84161750      5.50751448     -9.35895639
  O     15.60062152      3.96207430     -9.23009969
  H     16.56082732      3.87434005    -14.90163572
  H     17.78016005      6.15993489    -10.38782742
  O     20.27335394      4.99229915    -14.09928198
  H     16.37332882      3.04315478    -13.61384535
  H     14.66119925      8.16411138    -11.61422986
  O     16.32044025      3.80407596    -11.95003145
  H     12.36062866      5.41119686     -9.79596092
  H     14.30251224      7.04931181    -12.60587513
  O     17.27229645      6.33907847     -9.58641170
  H     13.42293050      5.31761549    -10.91393682
  H     18.52128186     10.15858213    -15.52968835
  O     14.52195440      7.98980715    -12.55634074
  H     19.41327623      6.79962836    -16.60089616
  H     18.77471651      8.63470050    -15.65145350
  O     18.08391983      9.31165177    -15.52920976
  H     20.01072521      6.56572747    -15.20066203
  H     15.59679321      6.84637051    -19.71134951
  O     15.87403534      6.49302271    -18.87015439
  H     13.85852386      1.80939052    -16.21783030
  H     15.78904100      7.22092339    -18.22663325
          69
 Energy    -247.99986643722801     
  O     14.73855112      5.14032507    -13.99825010
  H     15.04989537      6.03663095    -13.79482655
  H     19.40990676      6.43013958    -15.74222962
  O     15.54165676     10.76793342    -10.48822675
  H     15.09584859      4.59189873    -13.28993412
  H     16.87605723     10.29177092    -14.69448781
  O     18.03663161     10.77827741    -11.90735344
  H     16.43242846     10.87446042    -10.84464601
  H     16.37222116     11.72459481    -14.96985692
  O     12.27338857     10.60869357    -16.68322125
  H     14.95759506     11.15148543    -11.15427224
  H     16.28011751      7.74092719    -12.54974342
  O     14.22795284      6.06684052    -10.46827437
  H     17.62602551     10.97418882    -12.76697335
  H     14.89180428      8.16309912    -13.16721612
  O     12.66567044      8.02082528    -15.63587887
  H     18.78495174     11.36368148    -11.82229090
  H     11.89637599      6.55801252    -12.59142140
  O     14.27794639     11.62941994    -12.85443817
  H     12.21766022      9.69996649    -16.36041628
  H     12.75621709      6.70471927    -11.31404830
  O     15.40183077     12.44756594    -16.27987967
  H     12.99553321     10.61051692    -17.32360386
  H     16.32010772      3.35687861    -11.31042904
  O     16.05787478      5.48539903    -16.48853899
  H     14.86652030      5.44644827    -10.83676087
  H     16.87938297      4.62138199    -12.00141603
  O     16.98912924      8.63761604    -15.43016394
  H     14.73273947      6.78768643    -10.07344268
  H     12.97930447      5.34490166    -14.21982894
  O     14.95505256      7.91537310    -17.21517265
  H     12.92807373      8.46346090    -14.81251102
  H     11.57959688      4.77075187    -14.53444603
  O     18.56917962      6.36152726    -15.29528275
  H     12.30334180      7.17117891    -15.36162004
  H     17.07610283      8.05430908    -10.53875825
  O     16.72014748     11.14833006    -14.27335966
  H     13.71114812     12.08242002    -13.49201910
  H     17.89494783      8.93924088    -11.51859681
  O     15.69010141      7.63258923    -13.30395545
  H     15.10423618     11.43934813    -13.32121988
  H     18.39241276      5.77035383    -13.46238903
  O     12.05971764      7.13306581    -11.83574417
  H     15.22520354     11.81357252    -16.98617209
  H     18.20844082      6.40963361    -12.06755450
  O     16.05927284      4.17374088    -11.72701927
  H     14.54127460     12.67288397    -15.90546160
  H     14.79565135     10.47585511    -19.18433065
  O     12.04265004      5.58008596    -14.33363329
  H     16.96039711      5.61211827    -16.17461581
  H     14.82475601      9.52531052    -17.96859406
  O     17.64436518      8.02797943    -11.32087875
  H     15.55537797      5.22094476    -15.70633691
  H     15.63680642      8.38352724     -8.41044879
  O     18.25873013      5.56187976    -12.53030480
  H     16.36822228      8.50194697    -16.15718872
  H     15.51246904      9.18838685     -9.72356109
  O     14.67659671     10.44730805    -18.23800295
  H     16.54294291      8.26652608    -14.64932877
  H     12.54086614     11.93071421    -15.57054456
  O     15.67745053      8.30019603     -9.35991539
  H     15.32625927      7.02599123    -17.12238022
  H     12.14645185     13.35147388    -15.10532086
  O     12.81784147     12.68063958    -15.01416781
  H     14.14109451      7.92969684    -16.68981541
  H     13.51227333      9.94652214    -12.93012543
  O     13.37705987      9.03826073    -13.21715129
  H     18.13988695      7.22858386    -15.37849950
  H     12.83165115      8.53620462    -12.59144268
          69
 Energy    -247.99982026876202     
  O     15.31470678     10.35181033    -10.65474981
  H     14.49410628      9.84113175    -10.60687951
  H     15.93189200      7.73710387     -7.65652630
  O     17.53163430      4.71558242    -12.09098703
  H     15.35396760     10.71629975    -11.54939619
  H     12.98784378      7.65303111     -5.94753523
  O     13.86850322      4.72024378    -11.99815405
  H     16.96160085      5.35064915    -12.53891197
  H     11.95827143      6.98614973     -6.87406041
  O     13.07123624      6.24536331     -9.90334496
  H     16.94634654      4.04224087    -11.72132705
  H     19.32278790      8.09577328     -6.31794587
  O     13.48801684      8.62150858    -13.33346225
  H     14.48112664      5.36052315    -12.38571351
  H     17.91245064      7.97556484     -6.93658473
  O     15.72994812      2.92388044    -10.81888064
  H     14.41899238      4.01211072    -11.64021733
  H     12.54439017      9.35127955     -9.86063358
  O     15.23107068     10.86057703    -13.38320486
  H     13.22266453      5.66682142    -10.66538374
  H     12.89072014      7.94916862    -10.40838611
  O     19.39364835      7.95237489     -9.82704717
  H     13.94309405      6.43062493     -9.52068415
  H     16.14950245      7.22473345    -12.27914282
  O     16.15787536      4.02235513     -8.38120867
  H     13.19502790      8.73902026    -12.41450334
  H     14.94126329      7.32220176    -13.22474838
  O     16.93149201      8.12114901    -10.97006686
  H     12.70924362      8.40247058    -13.84020441
  H     15.20153687      7.58255725     -5.66269444
  O     15.61671078      6.68382772     -9.02594550
  H     15.76499664      1.97295760    -10.75974722
  H     14.86130067      7.29189030     -4.18139098
  O     16.16342516      8.34429781     -6.93584344
  H     15.86493420      3.26624345     -9.91741692
  H     11.02273046      4.77595552     -7.92991508
  O     12.23646915      7.84097597     -6.52256966
  H     14.62940582     10.11225260    -13.51034754
  H     12.17452156      5.60945671     -8.54215684
  O     18.83337354      7.67957793     -7.02324022
  H     15.93326986     10.74294214    -14.02018283
  H     15.25761571     10.69983709     -8.80923321
  O     12.88043578      8.88990182    -10.63972455
  H     19.28187809      7.93312628     -8.86879634
  H     14.04875473     10.51160996     -7.88294708
  O     15.64051940      6.72509741    -12.93777077
  H     19.60995881      7.04713069    -10.08876014
  H     19.07766049      4.96999530     -8.74657071
  O     14.58491560      7.11240106     -5.07630127
  H     15.54074616      4.13478539     -7.64305677
  H     18.75820678      5.81954180     -7.50061892
  O     11.78147923      5.30730489     -7.70439665
  H     17.05661530      4.23927098     -8.08919642
  H     13.40064376      4.72683554     -6.83964414
  O     15.00664841     10.62611810     -7.87821453
  H     17.83546196      8.16581748    -10.62716450
  H     14.42901986      5.38638823     -5.91004781
  O     18.66726959      4.93438671     -7.87242708
  H     16.49679261      8.97170065    -10.82555698
  H     11.51086305     10.58596753     -7.85555389
  O     14.28183173      4.61065641     -6.46411484
  H     16.13679460      7.08098776     -9.73795693
  H     12.19169001      9.22989455     -7.55546189
  O     12.20238034     10.00006815     -8.15213879
  H     15.90534275      5.77311622     -8.88438435
  H     20.43985882      4.79037857    -10.91987545
  O     19.68862254      5.21909022    -10.51830678
  H     15.81766330      9.21489698     -7.18171361
  H     18.92984011      5.05575448    -11.10579016
          69
 Energy    -247.99972439460186     
  O     11.68901825     10.45408248    -11.62482166
  H     11.00332439     10.00888547    -12.13725169
  H     15.83869172      5.71563614    -16.43815788
  O     13.79471796      7.25891632    -14.78686958
  H     12.17293440     10.99915002    -12.25682065
  H     17.70404130      6.91207498    -16.31315009
  O     17.97847021     10.64580557    -11.66039284
  H     14.55518174      7.83158591    -14.60084282
  H     17.59221795      6.22240802    -14.92892515
  O     17.90198637      8.53300853    -17.28845758
  H     14.06821190      6.63808503    -15.47278635
  H     14.38553220     11.62820147    -16.57249036
  O     12.03520410      9.36077410    -15.10246648
  H     17.01192493     10.68702169    -11.67790951
  H     14.78725779     13.12419240    -16.51869734
  O     15.89976607      7.32179089     -9.79525740
  H     18.19781365      9.76720883    -11.33157841
  H     15.70071015      9.35035692    -13.31627459
  O     13.17413363      6.35089608    -12.28596506
  H     17.69791538      9.33871636    -16.78371259
  H     16.35643590      9.41773238    -14.71922205
  O     15.21731767     10.43135283    -11.97747247
  H     18.62909504      8.75028662    -17.86659525
  H     11.39860239      6.41739886    -12.04897781
  O     15.13966472      8.20810264    -18.04346781
  H     12.58825220      8.56927252    -15.02757448
  H     10.21845259      6.30371153    -11.07178864
  O     15.64739991      5.16545251    -11.69071813
  H     11.24048488      9.20082174    -14.58043910
  H     18.62270800     11.34486562    -13.12297404
  O     17.15954386     10.67105257    -15.77403376
  H     15.75524345      6.50398012    -10.28666834
  H     19.46367771     12.45845639    -13.77057219
  O     14.91740256      5.63761505    -16.74603276
  H     15.09461010      7.84340473     -9.90753932
  H     17.92644194      7.12060428    -12.35831816
  O     17.44498914      6.09131134    -15.87332486
  H     13.94289455      5.82425273    -12.03787827
  H     16.91126825      7.48226230    -13.46626857
  O     14.88378360     12.29403230    -16.06017901
  H     13.33319209      6.64866266    -13.19461299
  H     17.50614765      7.80113026    -10.31589911
  O     15.93340796      8.82022737    -14.09100002
  H     14.69128964      9.83544322    -11.42773928
  H     19.03109668      7.77884993    -10.06085522
  O     10.45141120      6.60372067    -11.94738468
  H     14.59889090     10.89970689    -12.55590730
  H     14.05058871      9.60013207    -17.61617217
  O     18.90522897     11.71465518    -13.97776149
  H     16.08520166      8.33769585    -17.90493638
  H     12.87892906      9.99794252    -16.67658950
  O     17.42516962      6.74787173    -13.09430973
  H     14.95798144      7.31762981    -17.72311513
  H     13.37900769      7.87168041    -11.21552580
  O     18.37420358      7.96275797    -10.72736842
  H     16.27296814      5.65999748    -12.24673992
  H     12.83452703      9.27344222    -10.84535593
  O     13.52755640     10.35049192    -17.29818709
  H     15.96762619      4.26800769    -11.64854114
  H     13.88566388     11.89197869    -14.46146590
  O     13.54455672      8.64180838    -10.65595491
  H     17.80659426     11.07673660    -15.17589039
  H     12.91253897     10.72271866    -14.22879080
  O     13.37149811     11.44706992    -13.77786084
  H     16.42889494     11.28966912    -15.89569284
  H     10.04490059      8.07349774    -12.83294750
  O      9.90982869      8.91967663    -13.29261092
  H     14.83696457      4.78858614    -17.17111402
  H      8.96975214      9.01655287    -13.42161137
          69
 Energy    -247.99971225282133     
  O     16.27511835     11.47102104    -12.67871057
  H     16.88136610     10.73824431    -12.50790439
  H     12.49222137      7.68971373    -12.41692682
  O     18.21905101      7.85434433     -8.37343777
  H     15.94165372     11.76071685    -11.82219436
  H     14.33335621     11.85982838     -9.35555323
  O     14.96257338      5.16165779    -11.39461393
  H     17.72410450      8.65517787     -8.58536059
  H     13.95756417     11.75536925    -10.83927323
  O     11.71118039      6.05812901     -9.78503756
  H     18.73729711      7.65469612     -9.16385783
  H     14.66343119      8.09713486    -14.28938106
  O     17.64730619      5.01043932    -10.54245739
  H     14.12288338      4.87724442    -11.77329813
  H     14.00414837      9.40379420    -14.76792193
  O     16.96109929      5.50922147     -7.80059587
  H     14.75601486      5.48984690    -10.50677574
  H     18.76089988      6.32972617    -10.85800385
  O     17.67472663      9.10693994    -11.96908785
  H     12.55303215      5.97042608     -9.32057705
  H     20.21702018      6.77888279    -11.12298825
  O     11.27991871     10.88728806     -9.36802447
  H     11.80110557      5.52889055    -10.58599786
  H     14.32208720      6.98952355     -8.61790910
  O     16.62742663      9.90121676     -9.52291560
  H     17.46323759      5.02172692     -9.59474454
  H     15.18641524      5.74072497     -8.35427759
  O     13.50942667      8.69214755    -11.23368257
  H     16.78542297      4.92508751    -10.96947273
  H     11.65861996     10.65351082    -12.25360826
  O     10.16744757      8.31795123     -9.77930723
  H     17.30990898      5.13493296     -6.99604729
  H     12.94396220     11.29695079    -12.84838726
  O     12.09707492      7.31677172    -13.22019114
  H     17.39564818      6.37289862     -7.91997976
  H     10.80429648      8.67704369    -12.89923393
  O     14.70800965     11.88081075    -10.24642598
  H     16.96291630      8.53966379    -12.30642573
  H     10.18201398      9.05377611    -11.55167698
  O     13.97365035      8.44558100    -14.87150326
  H     18.38042461      8.51011142    -11.69342060
  H     12.55053783     11.21712859     -8.26454420
  O     19.34979316      7.10485206    -10.89757023
  H     11.52131089     11.14933452    -10.26304766
  H     13.18555754     11.81442243     -6.98127147
  O     14.37226728      6.03575444     -8.78060409
  H     10.89843565     10.00198371     -9.43948741
  H     12.16893242      5.62724047    -12.73538818
  O     12.44832893     11.17445073    -12.02713437
  H     16.05491402     10.64995667     -9.73004090
  H     11.82407555      4.12092410    -12.81723549
  O     10.40333094      9.41420825    -12.41990097
  H     17.00907669      9.61214317    -10.36462062
  H     14.94064999     11.35144868    -13.78518906
  O     13.38830753     11.33446438     -7.77913729
  H     13.17457936      9.56525353    -11.47004225
  H     14.15291274     11.91431459    -14.99258063
  O     12.29197991      4.76755642    -12.29569659
  H     13.68333678      8.69963781    -10.28584784
  H     13.93983686      9.54776895     -8.12131242
  O     14.10394934     11.28271664    -14.27924514
  H     10.74131233      7.53287202     -9.77559646
  H     15.20270649      9.04853791     -8.85009053
  O     14.32511067      8.77224155     -8.54415121
  H      9.34760200      8.05096725     -9.37015726
  H     15.46783423      6.66108237    -12.37228528
  O     15.54605913      7.56884650    -12.69022926
  H     12.64486198      7.64106875    -13.95065546
  H     14.87239290      8.06112815    -12.19549770
          69
 Energy    -247.99960875726123     
  O     14.58220397     13.01428947    -16.23883982
  H     15.51044137     13.01187124    -16.49984399
  H     12.99616859     15.57502392    -15.36455610
  O     17.30202604      9.17321918    -11.35361655
  H     14.37843285     12.10201295    -15.99258987
  H     12.96981303     14.35089820    -13.11728687
  O     16.01851538     16.49103400    -11.06683463
  H     17.77953109      9.82538895    -11.88025451
  H     12.93056699     12.98231932    -12.41119806
  O     14.46056895     10.40370708    -15.26220440
  H     17.33135840      8.33364733    -11.83637967
  H     20.73219073     13.71709072    -12.27955868
  O     16.93402824      6.91020899    -12.88164218
  H     15.94268606     17.39228345    -10.76302636
  H     19.27390574     13.93863028    -11.82181084
  O     17.02687305      7.61292665    -15.65204819
  H     15.29665019     15.99217729    -10.65054348
  H     17.78195127     13.34583202    -16.12152723
  O     16.00618668     12.59383595    -12.57798489
  H     14.20193444      9.47479134    -15.34581006
  H     17.78417600     13.02891619    -17.63624265
  O     14.55022253      9.30352115    -11.19301226
  H     15.42656584     10.41081025    -15.24454744
  H     15.10200310      7.51738790    -15.48679240
  O     17.30031736     10.34489126    -15.41116376
  H     15.99219166      6.74511531    -12.75275520
  H     14.04449598      7.36956198    -14.37563442
  O     18.35492820     14.35634916    -14.85047076
  H     17.04288292      7.07724004    -13.82594203
  H     16.54711181      9.81103991     -9.56957109
  O     13.54880952     11.31040369    -12.82612564
  H     17.57663848      7.26734134    -16.35080485
  H     15.97405086     11.16311161     -9.12233792
  O     13.54178199     15.03447660    -14.80011771
  H     17.18127410      8.57177110    -15.62346477
  H     17.62282467     15.36352778    -10.76532891
  O     12.83816316     13.93343964    -12.25808635
  H     15.13661450     12.19769257    -12.71598890
  H     17.61745101     13.95924788    -10.17118583
  O     19.82561468     13.55033050    -12.52361170
  H     15.99924115     13.48310581    -12.95271282
  H     17.46384920     11.68688764    -12.85694527
  O     17.38861276     12.77510205    -16.80668714
  H     14.63313682      9.58834075    -10.27356307
  H     18.99066250     11.87219241    -12.83950837
  O     14.17286198      7.68131570    -15.28048265
  H     15.47708307      9.25968682    -11.47684639
  H     13.54623756     14.56134619    -10.82332347
  O     15.89256103     10.21068010     -8.98156867
  H     17.73164259     10.57917837    -14.57685149
  H     13.30166484     15.02620826     -9.36796475
  O     18.19283569     14.60450180    -10.60347628
  H     17.37687156     11.11622508    -15.98704537
  H     13.51071956      6.33139015    -12.02497713
  O     18.30320440     11.21487391    -12.99077681
  H     17.58123635     14.77076120    -14.44289478
  H     14.12179824      7.74860944    -12.00017358
  O     13.98226998     14.91669032    -10.02666453
  H     18.93444106     14.10201127    -14.12339810
  H     16.06820063     12.73308384    -10.77216613
  O     14.06430873      6.93023981    -12.52009417
  H     13.77670850     10.60162403    -12.20902216
  H     15.32878841     13.54889337     -9.70242504
  O     16.05754185     12.93013591     -9.82273294
  H     13.74560683     10.98060984    -13.71466051
  H     16.02134874     15.76587753    -12.77167707
  O     16.04219001     15.23348263    -13.57623795
  H     13.86985108     14.29837068    -15.34963627
  H     15.17850790     15.29960086    -14.00407190
          69
 Ord_Energy   -247.999542    
 O    1.09800863      -6.09854221       4.13574362    
 H   0.275937915      -5.59452486       4.16684246    
 H    1.11392069      -6.52145720       3.26655221    
 O  -0.434802353      -3.88399744      -2.73794031    
 H  -0.601549149      -4.78619814      -2.41125607    
 H   -1.06139898      -3.72444558      -3.43882155    
 O    1.61327899      -7.67604303      -1.23558843    
 H    2.31669617      -7.02673435      -1.42319560    
 H    1.87058866      -8.48976803      -1.65968108    
 O    2.24032974      0.767741203       1.77457106    
 H    2.05645537      0.880583346      0.834385872    
 H    1.37902594      0.684242249       2.20212579    
 O  -0.398456544      0.414872289       2.81318617    
 H  -0.874149561       1.01048863       3.38576961    
 H  -0.389252186     -0.451664746       3.25808024    
 O    5.27443838      -2.04091692      0.314161211    
 H    4.57435894      -1.78170550     -0.301977128    
 H    5.07062387      -1.58469200       1.13813591    
 O    5.63243914      -4.70256567      -2.10334193E-02
 H    5.55898666      -3.73591590       7.72533789E-02
 H    6.54695082      -4.88896418     -0.213995114    
 O    3.52885222      -5.22718716       1.68473125    
 H    4.34416723      -5.12346029       1.17783821    
 H    3.72146702      -5.10095644       2.62152743    
 O    2.91587877      -1.53311622      -1.06456065    
 H    2.56205201      -2.00249982     -0.293983519    
 H    2.44132018     -0.695531547      -1.12386763    
 O    3.47692394      -4.86906862       4.47777557    
 H    3.94907188      -5.22646189       5.22432280    
 H    2.61800122      -5.33031940       4.43811655    
 O    2.53702164      -2.31532788       3.77819300    
 H    3.25805545      -1.73373282       3.50455952    
 H    2.92606926      -3.14273238       4.08847284    
 O   -1.31986678      -4.61633873       3.80385256    
 H   -1.35254705      -4.88300323       2.86968827    
 H   -2.16721034      -4.84135389       4.18074083    
 O    1.92878878      -3.00716949       1.09397578    
 H    2.46496344      -3.80952525       1.13071704    
 H    1.98368692      -2.63168359       1.98038995    
 O    1.41016209      0.828899443     -0.952263355    
 H   0.546121836      0.487834811     -0.656464398    
 H    1.23413694       1.53791332      -1.56399047    
 O   -1.12282205      -5.37161493       1.17017746    
 H  -0.987924278      -4.51219797      0.742757976    
 H  -0.261582494      -5.81186056       1.23477542    
 O    1.28817344      -6.77637148       1.39494431    
 H    2.10518837      -6.25882483       1.46178365    
 H    1.35223031      -7.24906111      0.556498826    
 O  -0.848190904      -6.30334806      -1.58187485    
 H   -3.62397693E-02  -6.82397127      -1.52127993    
 H   -1.13598967      -6.14144373     -0.676149428    
 O  -0.202542678      -1.98032570       4.01601410    
 H  -0.601888299      -2.85399318       3.94780517    
 H   0.755302131      -2.11174583       4.06286097    
 O  -0.555910885      -2.96192694      -8.66160765E-02
 H   0.332646996      -2.97836614      0.301410019    
 H  -0.479228735      -3.19092226      -1.02239871    
 O  -0.867778778     -0.181436345       8.38472024E-02
 H  -0.887844205      -1.14642811       2.93083303E-02
 H  -0.827943385       3.53761390E-02   1.02421033    
 O    2.40111637      -3.62057185      -2.87963843    
 H    2.60989976      -2.83912897      -2.35084224    
 H    1.43870652      -3.67623878      -2.91191816    
 O    3.51703072      -5.83434677      -1.72041464    
 H    3.15098429      -5.07143641      -2.19538569    
 H    4.26894569      -5.50328588      -1.22211874    
 O    4.41372156     -0.566024303       2.65148473    
 H    3.66070390      -4.62887585E-02   2.31290579    
 H    5.00864220       5.56764305E-02   3.06294179    
          69
 Energy    -247.99930821916121     
  O     12.15500763     10.17218377    -15.32080080
  H     12.88169015     10.76911332    -15.52793607
  H     19.04779347      7.84762710    -14.00260479
  O     15.94562909      6.77003299    -12.62108406
  H     12.36436113      9.33960336    -15.76998393
  H     14.52474230     12.45912223    -16.55984855
  O     17.64303358     10.80521130    -12.40881931
  H     15.61767834      7.39774441    -13.28520946
  H     15.23331044     11.15644297    -16.13542368
  O     16.63664649      9.99258853    -16.27767627
  H     15.34792532      6.85701365    -11.86895399
  H     14.30847193      8.31198851    -14.97071376
  O     12.85210362      5.35358033    -14.91433521
  H     17.72319223     11.01945045    -11.47062880
  H     15.69691103      8.98627381    -15.00272889
  O     15.13965921     10.43840776     -8.93333065
  H     16.71589680     10.94412899    -12.64901598
  H     10.33869965      9.65861227    -12.80547606
  O     14.08994407      7.39512820    -10.63538080
  H     16.83794688      9.09222401    -16.56878254
  H     11.57242120      9.75240665    -13.73108578
  O     14.99250816     11.05195473    -13.18754266
  H     17.43623200     10.34414259    -15.86352676
  H     18.32274151      8.11169296    -10.33939477
  O     17.12349469      7.25035962    -16.56937313
  H     12.30217006      4.57625675    -14.95996007
  H     18.11117111      9.33130476     -9.42659797
  O     15.71192372      7.68475039     -8.36548298
  H     12.63153935      5.80342789    -14.07846486
  H     11.84364364      7.62635619    -12.76811607
  O     15.74425469      5.38817436    -15.05249096
  H     15.23549654      9.53257968     -8.61315329
  H     12.83275478      6.81070419    -11.91555188
  O     19.22120620      8.01937965    -14.93761413
  H     14.43880687     10.41535506     -9.59760694
  H     19.54882130     11.58396521    -14.90780894
  O     14.52521329     11.77626142    -15.89362512
  H     14.58025493      7.37010192     -9.80452926
  H     18.52323519     10.93075612    -13.95219182
  O     15.02349116      8.63322382    -14.40695219
  H     13.88665979      8.32639070    -10.80307029
  H     18.09239131      8.95796895    -12.30734736
  O     11.26864746      9.45252160    -12.85598690
  H     14.80186350     11.59133284    -13.96226726
  H     17.54230443      7.50663885    -12.33845114
  O     18.11478527      8.36672657     -9.43090843
  H     14.91877675     10.13619944    -13.50704655
  H     16.72386158     11.00405970     -9.38358132
  O     12.24328990      6.75313327    -12.67810052
  H     17.94280948      7.41601425    -16.08160354
  H     17.95097056     11.88737445     -9.05523916
  O     18.88773044     10.89883486    -14.85290579
  H     16.64363232      6.56849993    -16.07288559
  H     15.79822708      7.26407612    -17.80542356
  O     18.35085509      8.03047140    -12.22578302
  H     15.83103475      7.20008245     -7.55338528
  H     15.10910412      6.90308336    -19.12955403
  O     17.64107235     11.20495215     -9.64446904
  H     16.60075943      7.84439866     -8.73093538
  H     13.97041353     10.55108431    -11.77173696
  O     14.96905328      7.35514915    -18.30127578
  H     14.78776143      5.27550806    -15.09388110
  H     12.57769058      9.92148032    -11.60528926
  O     13.40380137     10.09245538    -11.13536250
  H     15.92357781      5.64855761    -14.13877556
  H     12.93100813      6.89171955    -15.91936140
  O     13.12082479      7.76484007    -16.28614585
  H     19.31395797      8.97654668    -14.99593196
  H     13.69580169      7.63803522    -17.05452522
          69
 Energy    -247.99915855328692     
  O     12.41163375     12.52865723    -14.48104928
  H     13.28325979     12.88654450    -14.27407127
  H     16.88114885     11.37177206    -15.97655197
  O     14.85653000      6.69783326    -13.57538866
  H     12.07131323     12.11392244    -13.67812870
  H     14.92147171      8.47892012    -14.06807004
  O     17.69649469      9.73591738    -11.59754275
  H     14.24591674      6.89965804    -12.85124909
  H     15.90292898      9.48411731    -14.74729661
  O     17.51444856      9.68518080    -15.52410646
  H     15.74845133      6.69897166    -13.20288182
  H     10.41055228     11.33915287    -11.99356773
  O     11.89452996      7.90447307    -15.73556172
  H     17.66694913      9.64065163    -10.63687563
  H     11.18908836     10.16960344    -12.63987249
  O     14.72370111      9.21783315     -8.53982141
  H     17.00859945     10.36654595    -11.85191725
  H     17.09685633      6.48811320    -10.62052678
  O     13.30198339      7.54341217    -11.47309947
  H     17.23833830      9.06859406    -16.22195895
  H     17.18222889      7.33636580     -9.33789952
  O     15.55826921     11.28653083    -12.41736282
  H     18.23479000      9.30053915    -15.01511149
  H     11.35876770      8.24011832    -14.03212863
  O     16.19770886      8.21712454    -17.39325130
  H     12.18635501      8.80024294    -15.95661829
  H     11.78502617      8.00605691    -12.56081209
  O     14.21776575      6.43482992     -9.06135082
  H     12.62270452      7.32909382    -15.99225879
  H     20.31542533      8.97439617    -13.48755158
  O     14.30513119      6.36444036    -16.24250406
  H     14.43200378      8.29893102     -8.57578358
  H     18.91671910      9.22244038    -12.88317091
  O     16.30405180     12.09791889    -16.25048502
  H     14.24093715      9.68004457     -9.23939978
  H     17.24830340      7.98761752    -12.07527568
  O     15.04803991      9.40579847    -14.29847838
  H     13.41475727      8.48545340    -11.28198726
  H     18.13872455      7.15101126    -12.97197609
  O     11.27990086     11.07216792    -12.28090418
  H     13.50293677      7.07294393    -10.65507324
  H     17.83854931      9.51436291     -8.08307693
  O     16.87006072      6.49004588     -9.68256004
  H     15.48221746     12.13099146    -12.87694043
  H     16.44419730      9.27290463     -8.71001512
  O     11.18605290      8.51390374    -13.11981140
  H     15.31351305     10.60903541    -13.06992284
  H     14.08487001     10.53074279    -17.47791155
  O     19.38953070      8.77830066    -13.60745386
  H     15.54045505      7.58788810    -17.07228800
  H     14.31157267     10.82486715    -18.97925520
  O     17.35362566      7.08757949    -12.42108718
  H     15.70771827      8.95481695    -17.77979049
  H     12.71889424     10.61964980    -11.21828302
  O     17.40296190      9.19762555     -8.86966663
  H     15.16537881      6.35925158     -9.27252144
  H     14.26223043     10.70707710    -11.30265453
  O     14.76350741     10.58588213    -18.17437885
  H     13.99705558      5.69215721     -8.50602737
  H     15.55641614     12.97801585    -14.93750112
  O     13.53489030     10.28002017    -10.82913319
  H     14.24932500      5.44460969    -16.49173480
  H     15.38083591     14.34026514    -14.22900722
  O     15.15275271     13.41659839    -14.16658796
  H     14.49845187      6.38176076    -15.28992750
  H     12.75275318     11.18139796    -15.60289580
  O     13.11750752     10.39713794    -16.03590185
  H     15.80100568     11.74551018    -16.99355392
  H     13.77304131     10.03257722    -15.42242890
          69
 Energy    -247.99905885169954     
  O     11.82700901      9.97934970    -14.26507377
  H     12.40382850      9.87584675    -15.03233793
  H     17.80469209     11.66230681    -14.98958480
  O     17.09714958      7.18625438    -14.07670932
  H     12.10334848     10.79944290    -13.84028092
  H     16.07768247      8.68003658    -14.25310428
  O     16.92419959     10.47456386    -10.56339476
  H     16.48063961      6.67819529    -13.53154749
  H     16.43177255     10.18636597    -14.25152662
  O     13.88274299      7.04482814    -16.97239166
  H     17.66461318      7.69030172    -13.47827755
  H     11.52672513      8.49507012    -13.41896501
  O     15.07270620      6.93530081     -8.96325201
  H     16.93272921      9.94950501     -9.75407930
  H     10.48788435      7.48669201    -12.87116542
  O     15.19130199      5.95664002    -12.48036932
  H     16.02956646     10.44399946    -10.93320226
  H     18.16487460      7.66088114     -9.60432030
  O     14.51737229     10.32751394    -11.90011534
  H     13.65790291      6.65716035    -16.10732612
  H     18.69348579      7.65744889    -11.05405819
  O     17.10096629     12.39303188    -16.53750441
  H     13.49198019      6.48296017    -17.63620820
  H     12.57175027      6.55783823    -14.02870976
  O     16.73113860      5.03223950    -10.34303319
  H     14.44047760      7.23191810     -9.63208343
  H     13.95098774      5.88519841    -13.88317506
  O     16.35884270     10.07658249    -17.69216926
  H     15.53026641      6.17424830     -9.34145174
  H     17.57453431     11.99996019    -11.29992202
  O     16.76076963      7.45911550    -16.87531068
  H     15.69409532      5.49276346    -11.79955968
  H     18.48029158     13.24140953    -11.35227241
  O     17.95799193     11.17475366    -14.17092091
  H     14.66597758      6.62924952    -12.02357722
  H     17.93956023      9.44944381    -11.74469466
  O     15.69033331      9.56472132    -14.24129143
  H     13.98675428     11.09156374    -12.15325818
  H     18.57487339      9.65001340    -13.11784382
  O     11.42435431      7.64057599    -12.96246763
  H     14.91061026     10.00041472    -12.72536635
  H     16.29218921      8.09497926     -8.54617322
  O     18.51348272      7.08619000    -10.29746233
  H     16.91525347     11.56349547    -17.01567525
  H     17.16723457      8.78817346     -7.47365547
  O     13.26158544      6.10049473    -14.52428663
  H     17.48972270     12.99222213    -17.16877470
  H     14.07650940     11.64348810    -15.97764283
  O     17.88369474     12.71523596    -11.87902725
  H     17.43032458      5.71038122    -10.36250697
  H     15.29123901     12.57632586    -15.83499423
  O     18.48078488      9.00012447    -12.41006890
  H     17.14964293      4.21069427    -10.10132990
  H     13.87046824      8.73592018    -11.34489551
  O     17.04436697      8.70030640     -8.41478297
  H     15.42279446     10.04454138    -17.46960887
  H     12.75697912      7.71157120    -11.66423047
  O     14.37271237     12.46426649    -15.56408037
  H     16.68819474      9.19361103    -17.46734872
  H     12.66603942     13.19580532    -12.96590389
  O     13.57456871      7.83220059    -11.16548461
  H     15.83435976      7.20120251    -16.95242074
  H     13.56484949     12.47675173    -13.99683304
  O     13.05195260     12.35038947    -13.17870925
  H     17.01079919      7.26528218    -15.96268139
  H     13.75054477      8.84211596    -16.61140741
  O     13.84291158      9.73944196    -16.26395184
  H     17.94832191     11.81483187    -13.44362591
  H     14.50537556      9.68725852    -15.55274837
          69
 Energy    -247.99835113424388     
  O     11.88953301      6.36024202    -11.97855828
  H     12.27692800      5.51264188    -12.23748369
  H     18.04087039      6.26509864    -13.34825329
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  H     12.49244602      6.73185759    -11.32182034
  H     14.28340509      8.35553784    -11.96086056
  O     17.25619552      9.20882922    -12.82973786
  H     16.43055757      9.90652754    -15.77683237
  H     15.42137516      9.05420051    -12.77277855
  O     16.03876017     12.67607447    -14.33588694
  H     16.89304886     11.20258022    -15.06078697
  H     14.88082015     10.11562321     -9.57181674
  O     13.88876276      7.52175565    -10.39301242
  H     17.33254221      9.58233128    -13.71682192
  H     13.47954240     10.69542113     -9.85929200
  O     14.95653630      9.15255619    -16.62577218
  H     17.34682195      8.24863565    -12.89261359
  H     14.00738917      4.41070385    -13.30210634
  O     13.78872142     11.42358810    -15.62368120
  H     15.90509054     12.51005846    -13.38612412
  H     13.21727511      3.13592485    -12.97219233
  O     17.03258621      5.20527682    -16.33696001
  H     16.30684295     13.58761206    -14.41846359
  H     13.16295605      9.91542865    -13.15406992
  O     10.95858573      7.95774371    -13.92990634
  H     14.77071860      7.18524898    -10.19524899
  H     11.70461168      9.68285825    -13.57823798
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  H     16.92096148      6.69517551    -10.98815153
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  H     14.46078095      8.48223199    -16.13452860
  H     17.06813034      6.29588783     -9.50687621
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  H     14.50824448      9.99230564    -16.44440571
  H     20.15815889      5.90519917    -14.78819331
  O     14.49014213      8.80903598    -12.78909614
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  H     19.18608808      6.99794201    -15.29110626
  O     13.94730775     10.03531567     -9.33427876
  H     13.18768388     11.15741424    -14.91673870
  H     16.71011861      8.99577933     -9.90753156
  O     13.27066899      4.06717034    -12.77292619
  H     16.88985038      5.92316044    -16.96628117
  H     16.99488778      9.79075857    -11.16195128
  O     12.33814890     10.38049826    -13.37160553
  H     17.85021794      5.41850031    -15.87122203
  H     16.53796983      7.55857781    -18.95464268
  O     16.64975274      6.92910121    -10.08586958
  H     10.06892962      7.70055525    -14.15409257
  H     16.04562553      8.12407122    -17.60537470
  O     19.24943568      6.19118530    -14.74846247
  H     11.23839555      7.38368410    -13.19133724
  H     15.99619371     11.55089667    -11.12520624
  O     16.66462559      9.89318641    -10.25508236
  H     12.60478501      7.51556206    -14.82692225
  H     14.63304216     12.18167192    -11.47981939
  O     16.69479840      7.52756127    -18.01406116
  H     13.94866861      7.90091949    -14.19102128
  H     18.25884919      8.04718605    -17.04727980
  O     15.57136712     12.18823685    -11.70861123
  H     15.79685901      5.16623722    -15.04617400
  H     18.47980011      9.14127351    -15.99852680
  O     18.87189201      8.33513561    -16.35884238
  H     14.57830411      6.01420708    -14.58648204
  H     12.51337404     11.43750681    -11.93988040
  O     12.79174013     11.93922151    -11.15588341
  H     16.51276036      6.04189947    -13.21108293
  H     12.11253874     12.58733627    -10.98708204
          69
 Energy    -247.99807721961145     
  O     17.50193202     11.31942587    -14.32942026
  H     16.66355803     11.79369090    -14.26862587
  H     11.95373453      6.97035542     -8.60501921
  O     15.73939041      6.45230862    -11.30643503
  H     17.67452303     10.95497159    -13.45360825
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  O     11.93405957      8.26835765    -13.47252343
  H     14.79533633      6.26800439    -11.39818262
  H     15.42924756     12.37918618    -10.89264681
  O     12.40089511     11.56336217    -10.01800459
  H     16.12939347      6.25138758    -12.16986459
  H     14.69910175      9.35722566    -10.83676223
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  H     15.33290582      8.17894352    -11.60211173
  O     16.44498959      5.97169063    -13.93565022
  H     11.49948334      7.90406197    -14.25675572
  H     17.78766403     10.08922087    -15.52190054
  O     14.11695960      9.84177152    -14.10266931
  H     11.76696171     12.16824711     -9.64153507
  H     18.48905631      9.58906553    -16.80894471
  O     16.44076134      9.73540816     -7.93963574
  H     11.89027038     10.86525326    -10.46705214
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  H     11.28867504      9.09775490    -11.97415506
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  H     14.29520067     10.78016099    -14.23151374
  H     11.86520230      6.73219294    -16.02081445
  O     17.93220023      9.30904278    -16.08798426
  H     16.85801705      9.03924082     -8.47946133
  H     10.49617350      7.16126627    -16.57942293
  O     18.57816021      7.85675147    -13.69909726
  H     16.87480876      9.72511847     -7.09111634
  H     16.76803372     11.15612753     -9.22840196
  O     11.11143710      9.42886178    -11.08232130
  H     13.74685959      3.57055589    -13.71173784
  H     17.39969231     11.17209282    -10.62751906
  O     12.99525955      6.20834040    -11.92970967
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  O     11.01191500      7.13178688    -15.77874473
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  O     16.87452109     11.70249359    -10.01514642
  H     13.47461246     10.26706304     -9.24761924
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  O     15.50166216      7.97674992    -15.62540983
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          69
 Energy    -247.99797005963251     
  O     -5.41912161     -0.92056574      1.83016133
  H     -4.80890566     -1.47043445      2.34242732
  H     -2.98178575     -0.98102364     -0.11281003
  O      3.22501608      0.59878904     -1.39206232
  H     -5.93039045     -1.52675582      1.29641706
  H      0.27716087     -2.52078862     -1.32506599
  O      1.25202629     -4.06331933     -1.14750881
  H      3.07368377      0.00233327     -2.14727533
  H     -1.11795898     -1.81369571     -1.21101860
  O      0.50938562      0.78248915     -0.64738659
  H      3.88025643      1.23220951     -1.67191207
  H     -2.58284845      1.36835175     -0.78462589
  O      2.89258182     -3.55731437      1.05708476
  H      1.76960783     -4.07762328     -1.96303479
  H     -1.12071425      1.44867419     -1.26214739
  O      0.13122370     -3.62711063     -4.77258967
  H      1.86651556     -3.95172076     -0.41097731
  H      1.80327429     -0.84663433     -3.84367129
  O     -3.35267019      0.60439889      0.77652955
  H      0.27397908     -0.11348843     -0.94065390
  H      2.78428421     -1.98282443     -3.51239171
  O     -3.43458265     -2.07708983     -3.24712065
  H      1.42460315      0.91512423     -0.92047255
  H     -3.49987809     -2.89178405      4.01029210
  O     -2.06757325     -3.71834773      1.32214922
  H      3.07773691     -2.60070362      1.03766602
  H     -2.95139978     -2.90389637      2.56690819
  O     -0.04163176     -0.90613764     -4.13667173
  H      3.63349582     -3.97325946      1.48863667
  H     -1.72594080     -4.93664531     -1.82107371
  O     -1.94593512      0.10625150      3.21161456
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  H     -0.42800103     -4.85841244     -0.99721248
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  H     -2.92122110     -5.08217775     -4.05100483
  O     -0.20445531     -1.70415616     -1.50415609
  H     -4.19972473      0.23831878      1.06966414
  H     -2.73122397     -3.64246223     -3.52447456
  O     -2.03502407      1.56491014     -1.55408750
  H     -2.78888778      0.60906211      1.55897419
  H      3.11793566     -4.47743366     -4.12698785
  O      2.68464649     -1.02449411     -3.48702609
  H     -3.17140951     -1.22310783     -3.60818848
  H      1.69506829     -3.86849565     -4.09629955
  O     -3.37892241     -2.34338723      3.23889258
  H     -3.34624766     -1.99285076     -2.28648050
  H      2.42100302     -0.50673653      1.50586430
  O     -1.36931621     -5.07216302     -0.93549026
  H     -1.92347028     -4.32234530      0.57864435
  H      3.27868634     -0.38081644      0.22662531
  O     -2.30324421     -4.51422357     -3.59761458
  H     -1.18949438     -3.44482997      1.63694168
  H     -2.34318440      0.92593377     -3.14701515
  O      2.54840126     -3.90201294     -3.62413571
  H     -0.10833939     -1.22399471     -3.22126951
  H     -2.89852451      1.17940951     -4.56626511
  O      3.19150825     -0.87266475      1.05268648
  H     -0.81528657     -0.34853701     -4.27162787
  H      0.51206414      0.32985768      1.10885372
  O     -2.47478856      0.52057930     -4.02301755
  H     -2.16501800      0.58611533      4.00806738
  H     -0.19584111      0.11003268      2.47398374
  O      0.62726769     -0.04145081      1.99646799
  H     -2.38387139     -0.75585666      3.27823093
  H      0.45405223     -1.88975611      2.10572621
  O      0.34724417     -2.84804222      2.16504432
  H     -2.62498614     -2.48745535      0.10973209
  H      1.19088248     -3.22147021      1.88759573
          69
 Energy    -247.99796342659047     
  O     13.58838222      6.65314894    -10.29989129
  H     12.86721887      7.28684355    -10.41430378
  H     14.92532645      8.08639289    -17.25655732
  O     18.15946841      6.11668885    -13.48626808
  H     14.23633741      7.08501594     -9.72720534
  H     19.38738229     10.85130863    -14.89226272
  O     11.65277119      8.60192361    -11.06674407
  H     17.61582198      5.32886970    -13.60306581
  H     18.76882967     10.07710078    -13.70564282
  O     13.56888166     10.76887927    -11.53086322
  H     18.29189479      6.53210737    -14.35341773
  H     13.44269565     10.91436099    -13.30788809
  O     12.10510747      6.98560127    -16.14124970
  H     11.59210150      8.55211325    -12.03531742
  H     14.35141243     10.51251732    -14.49578672
  O     17.53412684      6.31864342     -9.53408146
  H     10.77062761      8.78383664    -10.75056143
  H     16.78615327      7.27902261    -13.02770347
  O     14.56811308      5.52317459    -15.40063685
  H     12.96488800     10.09449531    -11.20253775
  H     15.23271268      7.38256285    -12.91320608
  O     11.86069962      8.47238453    -13.83212423
  H     14.45253901     10.51159550    -11.23487769
  H     14.93549472      5.11923211    -10.76594208
  O     12.57862230     11.01742722    -16.85555926
  H     12.42923013      7.53924546    -16.86286961
  H     15.79707263      4.48064178    -11.88448670
  O     18.35198463      7.53842402    -15.79759498
  H     12.77515965      6.30384912    -16.02195101
  H     20.44405266      6.81948520    -11.35454302
  O     15.97901861      9.84581628    -14.76838967
  H     17.02758766      5.66339008    -10.03784168
  H     19.12202260      6.71912253    -12.15096918
  O     15.62399076      7.82762647    -16.64402210
  H     18.26152155      6.60505051    -10.09642505
  H     16.30933801      3.14778614    -14.01777654
  O     18.74538152     10.18131479    -14.67413229
  H     14.20952043      5.83884181    -14.55474936
  H     15.67028284      4.49016651    -14.43574039
  O     13.44121538     10.74748914    -14.26202853
  H     14.98897594      6.28049869    -15.83218939
  H     15.95073179      9.21799545     -9.99031450
  O     16.05425480      7.88816177    -12.87653297
  H     11.77497640      7.97640350    -14.65999024
  H     16.08506452      9.04106478    -11.51635040
  O     15.78116317      4.69589919    -10.94555878
  H     12.37618831      9.26784582    -14.02576592
  H     17.89205116      9.94939601    -11.49124433
  O     19.54889452      7.14788978    -11.38874789
  H     12.06481719     11.81078468    -16.98239199
  H     19.05516526      8.95734664    -11.70061877
  O     16.25282090      4.07058942    -13.78142330
  H     12.83790077     11.01442663    -15.91987132
  H     16.31725389      7.34867172     -8.93339965
  O     16.10255145      9.70554893    -10.80927529
  H     18.55284700      8.43790235    -15.50892546
  H     15.56719852      8.00121955     -7.74571557
  O     18.71366174      9.81606081    -11.98012788
  H     17.50368111      7.57978713    -16.25671747
  H     13.14318641      8.74592057    -19.01110617
  O     15.55993860      7.91625278     -8.69495042
  H     15.98953353      9.17149605    -14.06975911
  H     13.06831029      9.54992600    -17.69172530
  O     13.33256658      8.69672636    -18.07761147
  H     16.88640366     10.16520937    -14.83458545
  H     13.02453936      7.19973604    -13.31524229
  O     13.66506964      6.53320965    -13.03061211
  H     15.71422655      8.56585211    -16.02357518
  H     13.60604183      6.47130467    -12.06775144
          69
 Energy    -247.99787728395631     
  O     16.27731341      3.59631263    -15.25168905
  H     16.07448850      4.51480971    -15.47013923
  H     15.86250197      9.16249365    -16.33527144
  O     13.35034149     11.79524618    -11.17037843
  H     15.46760466      3.23330208    -14.87174572
  H     14.49146125      8.42355046    -12.50051657
  O     17.52706874      7.49567691    -13.71591265
  H     14.08373027     11.90295389    -10.55194228
  H     15.60364577      8.30196347    -11.42377993
  O     18.26019950      3.07188339    -13.45350132
  H     12.87474038     11.00383552    -10.89081214
  H     14.64777505      2.56587198    -12.99132921
  O     12.16212139      9.33236612    -10.36611695
  H     17.85951373      6.75078338    -13.19489814
  H     13.41629493      2.00265859    -13.74233384
  O     16.09363278      7.57836578     -9.81664853
  H     16.74219792      7.84427678    -13.26057691
  H     16.31975774     11.58803369     -9.78899800
  O     12.71070421      7.97241091    -12.67072063
  H     18.89737518      2.46984967    -13.82855413
  H     15.79102072     12.60847407     -8.75558395
  O     14.44654140      9.36603157     -8.63591945
  H     17.60839977      3.26049764    -14.15213760
  H     15.01474604      5.40935157    -11.81509229
  O     15.60965553      6.34055987    -15.39083322
  H     12.30554362      8.80108804    -11.16754316
  H     15.68643081      5.97188566    -10.52197678
  O     18.27451625      5.47585483    -11.98939045
  H     11.25924501      9.18134780    -10.09711381
  H     13.50256613     13.03753177    -14.05949712
  O     17.28894919      9.69369652    -15.47009066
  H     16.98234436      7.92563683     -9.94523788
  H     13.60482698     12.08487224    -12.84341907
  O     15.04848543      8.77710530    -16.70615240
  H     15.57805088      8.19549230     -9.27449422
  H     18.14749817     10.16768854    -10.72734258
  O     15.42511391      8.59009452    -12.32817031
  H     12.71528848      8.51047062    -13.47980210
  H     17.33685744     11.11798208    -11.64527808
  O     14.00765132      2.74901096    -13.70279695
  H     12.95103335      7.06500325    -12.90010101
  H     15.96676313     10.21589723    -12.87972365
  O     15.52016813     11.89437641     -9.32668150
  H     13.62529754      9.31959313     -9.14152196
  H     15.57656275     11.59093542    -13.45449280
  O     15.63447982      5.20094558    -11.10402146
  H     14.79029820     10.25984770     -8.76081752
  H     14.43806853      5.84040034    -14.06842925
  O     13.83279440     12.18609558    -13.78647276
  H     16.36232846      6.67368659    -14.88293383
  H     13.75631121      4.59256781    -13.45683375
  O     17.66237530     10.99791785    -10.74088149
  H     15.31800764      7.07338353    -15.94604109
  H     15.83085225      3.37106943    -11.37353249
  O     16.33703890     11.05083467    -13.20784050
  H     18.45871312      4.65714699    -12.46659128
  H     16.79519107      2.55747724    -12.25596650
  O     13.88578797      5.54106321    -13.33200713
  H     17.38162134      5.36900012    -11.62890790
  H     13.31888630     10.50892356    -14.53234175
  O     15.94107720      2.51360764    -11.80970461
  H     17.61499703      8.91836742    -14.99551761
  H     13.71419839      9.35295371    -15.48497219
  O     13.09219818      9.60771510    -14.79321167
  H     17.04333656     10.32164013    -14.77660620
  H     18.81033891      7.27945070    -11.04350022
  O     18.62642924      8.22691519    -11.05964420
  H     15.04705103      8.97920183    -17.63817783
  H     18.41121304      8.38262619    -11.98624153
          69
 Energy    -247.99784904832583     
  O     12.69801987     11.65056693    -14.99271759
  H     12.75178806     10.72186959    -15.26218465
  H     19.25488850      7.35461510    -13.88433814
  O     15.08534882      6.63035114    -12.61612264
  H     12.28035254     11.65507317    -14.12479671
  H     16.65689715      9.98439113    -17.02742517
  O     18.44909219     10.39344940    -12.24435293
  H     15.90607232      6.31830306    -12.21681320
  H     15.70239930     11.19039421    -16.84606924
  O     17.72823731      8.84666628    -16.08037900
  H     15.31480840      7.35591687    -13.21806116
  H     16.23943868      8.69801431    -14.97112482
  O     11.23559714      7.15739827    -14.64901407
  H     18.20652433      9.79513802    -11.52170957
  H     14.68009861      8.79064934    -14.83189151
  O     15.13423217      9.37164513     -9.03078687
  H     17.62976312     10.80814888    -12.54024551
  H     12.51585563     11.34582704    -11.87234082
  O     13.45712023      8.03849769    -10.93652866
  H     18.46141534      9.05724930    -15.48739246
  H     11.18595122     12.13061149    -11.81500769
  O     15.93081148     11.19142437    -13.22283562
  H     17.83237386      7.91881027    -16.32962592
  H     17.56332081      7.69428430    -10.64251769
  O     15.26987875      6.14669234    -16.92045592
  H     10.36036111      6.85786611    -14.87892815
  H     16.79526817      8.76855415     -9.83029736
  O     17.89378177      6.07626611    -16.44100846
  H     11.15121967      7.65965277    -13.81870017
  H     11.86585856      8.35384347    -11.79703172
  O     13.61785382      5.55838023    -14.78023993
  H     14.85587810     10.05455036     -9.66202053
  H     11.18951475      9.60002819    -12.40863068
  O     18.86980658      6.47451575    -13.78964750
  H     15.08209745      9.76594918     -8.16331556
  H     19.32850326      9.62410839    -13.47355763
  O     15.92687704     10.46664128    -17.44175006
  H     13.94049008      8.19114753    -10.11799301
  H     20.66554303      9.47339825    -14.23893258
  O     15.50973416      8.72256148    -14.33915068
  H     14.00999057      7.47228859    -11.49702777
  H     17.90330160      5.19228950    -11.09511235
  O     11.66579276     11.48079733    -12.32285644
  H     15.80664525     10.29122378    -13.56379380
  H     18.06592341      6.13651320    -12.31005928
  O     17.60625859      8.60358806    -10.32282200
  H     15.76740630     11.77908551    -13.96950898
  H     13.95155884      8.60778956    -19.09413813
  O     11.15623123      8.63724113    -12.39098163
  H     14.88193899      6.89152275    -17.39078201
  H     14.83031510      9.24498704    -17.98989261
  O     19.77047500      9.14916242    -14.20189945
  H     14.65974812      5.90399297    -16.20792451
  H     14.76613051     10.98388724    -11.88810172
  O     17.55638284      5.98622291    -11.49250205
  H     16.93312689      6.03224505    -16.60472868
  H     13.87847278      9.82110504    -11.32767070
  O     14.20519740      8.52106113    -18.17957256
  H     18.30608606      5.50292501    -17.08099621
  H     15.15699965     13.45687160    -15.85032108
  O     14.09417751     10.76064801    -11.22674460
  H     12.76010880      5.99142336    -14.70450343
  H     14.24883837     12.28850052    -15.39369521
  O     15.17171192     12.54254183    -15.58046471
  H     14.10208535      5.78789516    -13.97607131
  H     13.32523620      8.79683514    -16.60420045
  O     13.06880549      8.98998828    -15.69282625
  H     18.52400693      6.23741909    -14.65872759
  H     12.41526223      8.33526176    -15.41689362
          69
 Energy    -247.99775283062073     
  O     12.83264782     11.27948797    -15.21412251
  H     12.86868329     10.62027722    -15.91585102
  H     16.56490786     10.56812489    -16.81073818
  O     17.60783166      9.27507583    -11.76790204
  H     13.67149732     11.75602193    -15.22002105
  H     14.20981703      8.23707386    -14.42573565
  O     19.56053740     10.12705308    -15.99330646
  H     16.99116275      9.94138237    -12.10289072
  H     15.57381989      7.89130238    -13.77272423
  O     12.64722817      7.39454128    -14.98579427
  H     17.54439067      9.27021429    -10.80452166
  H     11.91155439     11.17838315    -13.74891078
  O     14.55085740      9.46131506     -8.72679408
  H     20.44045919     10.40753433    -16.23080920
  H     10.78690725     11.80534131    -12.89031628
  O     12.77463294      7.51295663    -11.25984781
  H     19.62500151      9.72478429    -15.10916506
  H     16.39705885      6.37613746    -10.78381473
  O     15.62869036     10.84999165    -12.88312284
  H     13.05681991      6.65171941    -14.52028697
  H     16.71235042      7.20409647     -9.52118598
  O     13.77202271      6.69821993     -8.77456071
  H     11.92459979      7.71280605    -14.42260657
  H     11.33643432      7.94037896    -12.40074475
  O     18.16755584      7.73630447    -16.75504629
  H     14.16809638      8.58327674     -8.60715510
  H     10.90367734      9.26475493    -13.05901068
  O     13.94561552      5.79037377    -13.14882576
  H     14.12420793      9.83833798     -9.50845723
  H     19.43522230      7.87505883    -13.85590071
  O     18.61611994      6.23877832    -14.54535814
  H     12.97465907      7.16950874    -10.38095801
  H     19.03003552      9.03674804    -12.92693788
  O     17.05527528     11.34900940    -16.51906487
  H     13.08964172      8.42753265    -11.27563143
  H     16.99359602      7.66157567    -12.31895927
  O     15.10567432      8.56715281    -14.27676974
  H     15.40089997     10.07693500    -13.42601659
  H     17.32189619      6.49446020    -13.29137580
  O     11.42274271     11.09523138    -12.91015360
  H     15.58369618     11.60993746    -13.47394374
  H     17.67977404      9.27373584     -8.25411359
  O     16.26676890      6.40421837     -9.82923121
  H     13.56407974      6.00995485     -8.14892661
  H     16.26416897      9.24191403     -8.88245796
  O     10.84060352      8.30585746    -13.14694573
  H     14.65344007      6.49543880     -9.13648646
  H     15.57801758      8.83177595    -15.99796338
  O     19.64348577      8.78969265    -13.63196339
  H     17.28194942      8.04389425    -16.98776981
  H     14.74300957      9.00780459    -17.26988561
  O     16.65979505      6.81892513    -12.66519484
  H     18.69743183      8.53493460    -16.63800720
  H     14.26695030     10.50809037    -11.72683105
  O     17.19702509      9.00163985     -9.02960638
  H     13.51422232      6.32415535    -12.46402079
  H     12.72591345     10.59048665    -11.67983532
  O     15.65272276      8.96887978    -16.95543707
  H     14.88785887      5.88476548    -12.98130783
  H     15.40484607     13.62970948    -15.11130255
  O     13.49366328     10.23526205    -11.21433147
  H     19.09536804      5.44995849    -14.78424820
  H     15.97826137     12.26101282    -15.55117578
  O     15.31883261     12.69030858    -14.97553819
  H     18.42084401      6.71085972    -15.37507451
  H     12.14789583      8.94246249    -17.76030266
  O     12.83665660      9.08888730    -17.11705095
  H     17.94720706     11.04027605    -16.32044318
  H     12.72275808      8.41049651    -16.42793090
          69
 Energy    -247.99753872244980     
  O     17.37508807     10.91049898    -17.64465074
  H     17.33179265     10.23243195    -16.95130084
  H     17.95467121      6.08880571    -16.62195670
  O     16.88352195      5.50349338    -13.64015404
  H     16.48090834     11.25738910    -17.73678545
  H     18.98006490      7.54648904    -12.36132441
  O     16.40390372     12.89640968    -11.35885229
  H     16.75616579      4.57706183    -13.45277206
  H     18.53899035      6.36273751    -13.24095334
  O     20.74356011     10.37796144    -15.69969463
  H     16.91185035      5.58724278    -14.61061677
  H     17.92962363      9.42279600    -14.93534140
  O     15.27701195      6.73523855    -18.13861322
  H     15.46427256     12.79640879    -11.55499815
  H     17.98384159      8.27434048    -15.99466697
  O     14.50371743      9.82616040    -10.87004552
  H     16.83938640     12.98052342    -12.21771298
  H     14.17673131     12.50155596    -17.74966182
  O     15.69963396      7.69010009    -12.29817364
  H     21.03936266      9.53091335    -15.33777513
  H     14.67489048     11.86000659    -16.43532857
  O     17.31324447     12.76283632    -14.00600737
  H     20.47767412     10.18571607    -16.60814330
  H     17.80029536      9.53611294    -10.81688092
  O     21.18535613      7.73541711    -14.76025616
  H     14.74281481      6.30996557    -18.80484819
  H     18.37231247      9.50978744    -12.25893610
  O     14.93341820      8.96175119    -14.64863590
  H     14.79016116      7.53511146    -17.88315916
  H     14.11610926      9.89865611    -17.46231414
  O     19.37839140      7.27587618    -16.88281422
  H     14.74095293      8.99980790    -11.30900418
  H     14.09199248      8.88647949    -16.30724062
  O     17.10877888      5.74533629    -16.30924581
  H     15.28105582     10.08377000    -10.35823086
  H     16.83484380     11.59130982    -10.28573934
  O     19.29948393      6.91173201    -13.01620672
  H     15.97946977      6.86835951    -12.72096130
  H     17.17148370     11.09937933     -8.85761782
  O     17.45155839      9.00667408    -15.66541974
  H     16.51629469      8.13050712    -12.01926393
  H     18.30034850     11.27532520    -13.73427867
  O     14.70943022     11.78948227    -17.40434641
  H     17.86833144     12.94624657    -14.77751100
  H     19.53977075     10.51608958    -14.30360549
  O     18.08185065      8.94529539    -11.52514424
  H     16.45922698     12.43655763    -14.32109643
  H     12.89228031     12.41098027    -11.73355420
  O     13.93506939      8.97572993    -17.25815584
  H     22.00204021      7.29334995    -14.54367630
  H     13.93275404     11.26806736    -11.67638330
  O     16.95730708     10.79643361     -9.73569101
  H     20.52927144      7.44549535    -14.09997483
  H     18.88783657     10.15461774    -18.24578873
  O     18.79508331     10.44480482    -13.69276479
  H     15.03277679      8.51440130    -13.80051221
  H     20.09809367      9.94142791    -19.18252635
  O     13.72956441     12.12689983    -12.09010061
  H     15.79737737      8.88334006    -15.08373771
  H     14.32654056     11.96838822    -13.83909398
  O     19.74962809      9.71224649    -18.32454149
  H     20.06839262      7.34070036    -16.20963158
  H     14.82517327     10.73386751    -14.61918770
  O     14.77783469     11.70227782    -14.64977651
  H     19.53430983      7.99210644    -17.51043816
  H     18.42566554     12.21101475    -16.77575185
  O     18.98748388     12.75071486    -16.20219704
  H     16.44204709      6.05372333    -16.93941240
  H     19.75731294     12.20484291    -16.01327276
          69
 Energy    -247.99734473513490     
  O     16.97549839     10.37879440    -15.73078599
  H     17.93374818     10.42672129    -15.87329808
  H     17.78002356      4.73268417    -10.71605817
  O     16.09041763     12.86769940    -10.77002146
  H     16.82088360      9.51319084    -15.31687740
  H     19.77930085      9.46936086    -15.09782472
  O     19.43155034      8.31383818    -13.63483565
  H     16.80644783     12.53267881    -10.21526844
  H     19.73782084      9.22590350    -16.60661807
  O     15.06492389      6.83858801    -18.30529142
  H     16.30001376     12.56683629    -11.66453175
  H     16.14851147      7.88646094    -13.78354920
  O     15.79491787      9.67804470     -8.90694512
  H     18.52749628      8.17279959    -13.96002978
  H     16.65268216      7.18459043    -15.06566227
  O     14.78583246      7.66892692    -12.59841209
  H     19.79538517      7.43055453    -13.50881560
  H     13.92454270     10.36552194    -14.59949038
  O     16.68615247     11.35302095    -13.08243568
  H     15.72020264      7.55996457    -18.30980353
  H     14.97664432     10.48756040    -15.72067353
  O     19.88718788      5.55419695    -13.32267670
  H     14.91023128      6.59975952    -19.21482684
  H     16.29653644      8.26369766     -9.88726910
  O     13.59702412      5.93680529    -14.44352704
  H     15.05476781     10.19578872     -9.24635431
  H     15.92643101      7.59775206    -11.24706399
  O     18.84673202      5.60178533    -16.00650768
  H     16.54642560     10.28293831     -8.88116982
  H     13.43162979      8.65748402    -16.12566783
  O     16.02940325      5.65567483    -15.94248902
  H     14.40526751      8.55795501    -12.64874423
  H     13.72237299      7.50683798    -17.12361817
  O     18.14866962      5.45884149    -11.21374023
  H     14.27124238      7.06913137    -13.15228440
  H     18.29916298     10.80599766    -10.13423767
  O     19.67353694      9.92519282    -15.94381165
  H     17.28513223     10.77916435    -12.58443983
  H     18.90436536     11.54769618     -8.92105623
  O     16.81664936      7.93275067    -14.47905435
  H     16.85879951     11.20543438    -14.01920904
  H     17.74394781      8.97382024    -11.19491587
  O     14.06065352     10.24535972    -15.54805672
  H     19.25831008      5.49531383    -12.58277695
  H     18.88286534      9.27010807    -12.20297128
  O     16.62599341      7.67361628    -10.58095176
  H     20.65467739      5.04746614    -13.06931712
  H     13.19296215     11.98051336     -9.67925695
  O     13.18412658      7.75110266    -16.36192793
  H     13.37133870      6.59857074    -15.12539122
  H     14.60152352     12.05063172    -10.31649259
  O     18.08449794     11.37778970     -9.37764063
  H     12.84904622      5.35111965    -14.36762900
  H     20.14860738      7.32602776    -18.30718704
  O     18.32331061      9.67484365    -11.52709482
  H     17.89572106      5.43353757    -15.97700802
  H     19.31046692      6.90774445    -17.07763677
  O     13.85895744     11.45335649    -10.11256940
  H     19.17322180      5.51697739    -15.10318704
  H     13.83724092     10.68015609    -11.83818613
  O     19.51178225      7.64918407    -17.67521421
  H     15.71279043      5.96790252    -16.80189473
  H     15.01488616     10.70505661    -12.83169477
  O     14.12595106     10.34315396    -12.69436692
  H     15.24916646      5.57282330    -15.38086425
  H     16.88209228      9.43085716    -17.46470054
  O     16.95063224      8.74492464    -18.13670921
  H     17.64823674      6.24329909    -10.93900681
  H     17.84351498      8.38301357    -18.05867476
          69
 Energy    -247.99731022954660     
  O     -0.43255540      0.62598290     -1.67467105
  H      0.14742662      1.38723707     -1.77056969
  H      1.08014500      0.62719844      3.16462953
  O      1.27818159      3.01318124     -1.52094265
  H      0.12110132     -0.09261599     -1.33195646
  H      5.41639606     -1.72582922      2.64222731
  O      4.84797344      1.38390159      2.60724839
  H      1.19330808      3.72940069     -2.14581755
  H      4.70760623     -0.35337126      2.57814149
  O      1.10752395      0.97816786      1.46133262
  H      0.69210077      3.22537448     -0.77248670
  H      4.91410408      4.08713888      4.79390744
  O     -2.75558232      0.20412927     -0.34243085
  H      4.70978005      2.02969899      3.30952614
  H      3.91083557      3.98031616      3.61892692
  O     -2.58410180      2.17567200      1.63647425
  H      4.49374271      1.78362770      1.80401292
  H     -2.44870558      3.75292760      4.38069436
  O      1.12230962     -1.18809908     -0.31981672
  H      1.00787071      0.22451555      0.86497506
  H     -2.55920049      3.69830581      2.85131660
  O     -1.86966874     -1.40651295      1.88220221
  H      0.51743904      1.68343466      1.16784993
  H      0.83451977      3.83481150      3.85623495
  O      3.27382320      2.25436589      0.36849580
  H     -3.42997055     -0.05938696     -0.96294298
  H     -0.47619032      4.48525399      3.34519671
  O      0.29642727     -3.00549345      1.64448578
  H     -1.95075245      0.37901415     -0.86186973
  H      1.47767116      1.88589404      4.86599700
  O     -1.74516825      0.64095517      3.82846536
  H     -2.27999819      1.64799510      2.39045171
  H      2.57639354      2.98584668      5.03388477
  O      1.01007137      0.36981766      4.09774223
  H     -2.80014928      1.54828820      0.93527895
  H     -1.79956096      2.73670339      6.31360480
  O      4.58952387     -1.30650397      2.41643021
  H      0.90290444     -1.91591280      0.27423295
  H     -3.30756963      2.41427336      6.43726124
  O      4.25700645      3.51689514      4.40364446
  H      2.08727811     -1.11644834     -0.37475882
  H      0.43968545      3.10908229      6.44971529
  O     -2.25879354      4.25648155      3.57970757
  H     -1.91547085     -0.78733561      2.62216434
  H      0.01366098      3.86220568      7.72162197
  O      0.46654695      4.37938450      3.14807684
  H     -2.19872657     -0.93206048      1.10997021
  H      3.84762796      0.32283845     -0.20804532
  O      1.64325909      2.78994227      5.17639458
  H      2.81161062      2.55434693     -0.42374103
  H      4.11760220     -0.94344039      0.62776561
  O     -2.58896031      2.46749801      5.81253670
  H      2.60522072      1.75931636      0.87099733
  H      0.04649233      3.75443038      1.51272519
  O     -0.30358608      3.25638920      7.05703641
  H     -0.50854809     -2.47004948      1.76986224
  H     -1.14728138      2.97687738      0.90684974
  O      3.80081063     -0.63776995     -0.23319953
  H      0.01593288     -3.91601648      1.60363102
  H      2.96706837     -1.88213050      3.22744033
  O     -0.26079183      3.30982586      0.70999457
  H     -0.80055859      0.51750244      3.99995439
  H      1.55242075     -2.46133204      2.98506984
  O      2.12781220     -2.08239421      3.66111247
  H     -2.09377902      1.16958362      4.55624393
  H      2.17471687      4.64863996      2.42967642
  O      3.10469857      4.55331122      2.18032680
  H      1.39136201     -0.51720181      4.14792791
  H      3.14049203      3.89699142      1.47573183
          69
 Energy    -247.99723650954323     
  O     13.20298463     15.00192267    -11.16130724
  H     12.90089916     14.07959373    -11.08108636
  H     12.85438486     12.39194480    -15.43535100
  O     15.52507052     10.79906654    -18.40163379
  H     12.57063137     15.53702746    -10.68806761
  H     14.80655582     13.65400629    -16.93618415
  O     14.60337103      9.32944035    -11.90448878
  H     15.57177748     11.71962985    -18.09143618
  H     16.34560392     13.51542644    -16.80099358
  O     18.11293673     14.74064379    -11.32759063
  H     15.59640449     10.83490077    -19.35137280
  H     13.51057874     14.58379176    -15.23994182
  O     14.27961324      9.61844594    -16.28450500
  H     14.98031232     10.00403619    -11.32742869
  H     12.58883774     14.75849447    -16.47062402
  O     13.74432590      6.66868944    -12.15011698
  H     13.72595962      9.64758535    -12.16379118
  H     18.07365140     11.71751127    -12.56745630
  O     15.24271961      6.11210288    -14.35598125
  H     18.21609751     13.78006744    -11.44748492
  H     17.36444070     11.75731339    -11.20688729
  O     14.99961409     12.46103847    -13.41420706
  H     18.90734820     15.05063081    -10.90023373
  H     13.45824158     12.03556261    -10.59385881
  O     12.07317852     10.24483422    -12.68344247
  H     14.72452738      9.95657190    -17.07499511
  H     12.23632274     11.66660391    -11.44235469
  O     16.05049874      8.82404283    -14.24998914
  H     14.95758450      9.38104360    -15.63764258
  H     13.28324677      8.08977418    -15.98462854
  O     17.33947036     11.30948667    -14.26552474
  H     14.11568054      7.51718330    -11.87084691
  H     13.68857091      6.76274335    -15.32454202
  O     12.87050795     11.55000016    -14.96542125
  H     12.85093601      6.87200758    -12.45338768
  H     17.30684322     14.90991905    -14.43783918
  O     15.59805035     13.33084978    -17.38140559
  H     15.63258192      5.24242966    -14.34302830
  H     17.37026434     15.29699571    -12.94079039
  O     13.18232172     14.14529814    -16.04441498
  H     14.74150583      6.20874550    -13.52594163
  H     15.26366577     11.97460816    -11.68816328
  O     18.16907823     12.03512341    -11.66025718
  H     14.27147248     12.05121591    -13.89905648
  H     15.55518640     12.55096577    -10.27800544
  O     12.59124869     12.35625870    -10.86689958
  H     14.86127045     13.41324873    -13.47944031
  H     13.87067523     15.22540840    -12.86355188
  O     12.92195656      7.27567561    -15.60760383
  H     11.69359374      9.38355437    -12.89860506
  H     15.17056052     15.42633029    -13.74006583
  O     16.91137866     15.48335294    -13.76980382
  H     12.22101195     10.71034788    -13.52045493
  H     10.50439827      7.19325089    -13.55189723
  O     15.43275165     11.72166355    -10.76491598
  H     15.58476276      9.03077270    -13.42589013
  H     11.84468948      7.50964791    -14.25773603
  O     14.23862875     15.15327244    -13.75306879
  H     15.96159013      7.87062344    -14.36954000
  H     16.47121050     14.59903374    -10.33164291
  O     11.34280186      7.63087577    -13.43116116
  H     17.10689026     10.37876831    -14.36691160
  H     14.92154671     14.69038662    -10.27633057
  O     15.69002120     14.27965588     -9.86271037
  H     16.52131282     11.75360494    -13.98737823
  H     17.79898827     12.72942099    -15.23968063
  O     17.89582396     13.59241743    -15.67606465
  H     13.31025131     10.89332714    -15.52726406
  H     18.74486073     13.58473440    -16.11208156
          69
 Energy    -247.99716156907095     
  O     12.48896880     11.35494464    -16.35590552
  H     11.89939203     10.99603248    -15.66726732
  H     18.20936683      8.86206464    -12.38453196
  O     15.18848301      7.95248545    -13.61998991
  H     12.44021332     12.30575236    -16.29756219
  H     16.68107248     10.74050299    -17.00063275
  O     16.38734097     11.17898427    -10.74371908
  H     14.99883086      8.80734456    -14.03761597
  H     17.72938455     10.35529701    -15.94397781
  O     16.93184081     12.85468191    -13.97786608
  H     15.75990467      8.11211420    -12.85634102
  H     13.98326512     10.62512273    -15.44818738
  O     13.27320302      7.39917677    -16.71152086
  H     15.71161820     11.46642459    -11.37596707
  H     15.53901246     10.53683669    -15.37989727
  O     12.29273203     10.09294497     -9.03965020
  H     17.23227867     11.52204573    -11.05717695
  H     11.34215851     10.38250414    -13.48870968
  O     12.71701282      7.63463127    -12.48861350
  H     16.97367148     12.33932802    -14.79527170
  H     11.01799122      9.29167447    -14.54186428
  O     14.49055155     11.84297528    -12.64024284
  H     16.05197932     12.73187151    -13.60484435
  H     15.75299348      6.63572230     -8.46914158
  O     16.13775658      7.50446297    -16.18698739
  H     13.15547570      8.07849485    -17.38712066
  H     14.60533476      7.26912973     -9.29178491
  O     12.92001279      7.35779065     -9.72071531
  H     14.22463642      7.29818260    -16.59620985
  H     10.61028580      6.80600736    -15.15657164
  O     18.65718054      8.75336934    -15.61258188
  H     11.81492809     10.44870393     -8.29554785
  H     11.99580792      7.38820231    -15.52032901
  O     18.85015726      9.27848891    -12.97548559
  H     13.24078781     10.17726710     -8.83103024
  H     18.13828826     12.37092473    -12.81593100
  O     17.08827576     11.04120797    -16.17298026
  H     12.12452307      7.45381265    -13.22735123
  H     19.38374631     12.66205541    -11.94356488
  O     14.72263937     10.34485543    -14.89855518
  H     13.61162741      7.64271223    -12.86017654
  H     16.56483527      9.41381818    -11.14397806
  O     11.04467877     10.24640286    -14.39768129
  H     13.67428153     11.48868757    -12.26359902
  H     16.39428287      7.97746865    -10.59520284
  O     15.54924976      7.35143954     -9.06469743
  H     14.62382989     11.31584810    -13.44257585
  H     15.25866488      9.21441647     -8.59916734
  O     11.26434921      7.44225092    -14.87970993
  H     15.80673636      7.50008018    -15.27627028
  H     15.50099498     10.60511019     -9.22007737
  O     18.71546734     12.00583076    -12.12112679
  H     17.05610480      7.79000153    -16.10002744
  H     14.88527400      9.66713006    -18.37417865
  O     16.69645948      8.47952677    -11.36154918
  H     12.78535736      7.32551499    -10.67836680
  H     15.89125806      8.84962051    -17.54389776
  O     14.96455747     10.13288680     -8.56879778
  H     12.56427971      8.20633254     -9.43090813
  H     12.15489989     10.35918971    -10.87621764
  O     15.81237802      9.62542751    -18.11614815
  H     19.52350870      8.54080740    -15.94981989
  H     12.46696811      9.41577166    -12.05571843
  O     12.25726011     10.33526642    -11.83570838
  H     18.75622665      8.88901571    -14.65301842
  H     12.39510490      9.79433971    -19.20167600
  O     12.96873136      9.63158096    -18.45709602
  H     18.91656163     10.19725245    -12.68845563
  H     12.73670233     10.28130446    -17.77369623
          69
 Energy    -247.99713658861120     
  O     11.84269779      9.73773333    -15.55818236
  H     12.30818216      9.38680410    -16.32601732
  H     19.39586926      9.37313243    -14.86547680
  O     16.77451084      6.28515533    -13.06002658
  H     12.30959970     10.53736179    -15.28498274
  H     16.31682210     12.31299004    -15.98689900
  O     16.84772589     10.56762016    -11.43988074
  H     17.39477560      6.88540402    -12.62455106
  H     15.57523067     11.08806648    -16.56581766
  O     18.08736165     12.66837917    -15.54684411
  H     16.05452234      6.12737168    -12.43270734
  H     14.56706624      7.56046230    -14.82178396
  O     13.14011493      6.51463063    -15.40205826
  H     16.02400360     10.47374896    -11.93959948
  H     15.93191759      7.46629666    -14.08677389
  O     13.97941208      8.43676746     -8.97601665
  H     16.62325097     10.50691340    -10.50332111
  H     11.37570766      8.55526095    -14.38201768
  O     14.46183907      5.82199025    -11.48881897
  H     18.61776689     13.43503704    -15.74604730
  H     10.27065140      7.66659953    -13.75781763
  O     14.56562385     10.11591632    -12.91051865
  H     18.30790142     12.40378818    -14.63580079
  H     17.98363683      7.70762381    -10.12836839
  O     15.43218711      5.96349514     -8.86836552
  H     13.55408852      5.73708382    -14.99848773
  H     17.22454021      8.45544547     -9.01454677
  O     18.52969800      9.93243227    -16.29069964
  H     12.43383925      6.81365790    -14.81556472
  H     19.28296272     10.91292621    -13.33249902
  O     14.52501438      4.60609255    -14.00788115
  H     14.34582208      7.55450221     -8.83607117
  H     18.11393400     11.43548019    -12.47477481
  O     19.89007511      9.21092369    -14.04258249
  H     13.51019549      8.40067474     -9.81971810
  H     17.81022537      9.04265838    -11.75116919
  O     15.44189412     11.98274160    -16.22515129
  H     14.76109761      5.74021886    -10.57499093
  H     18.96845130      8.48343552    -12.60625659
  O     15.34322046      8.07110837    -14.55940900
  H     13.94872535      6.63967984    -11.54355782
  H     16.10489300     10.57706082     -7.98448522
  O     11.21348825      7.80881052    -13.77587261
  H     14.87292832      9.43776200    -13.53239000
  H     15.32671870      9.53796256     -8.82720733
  O     17.56599415      7.58808030     -9.26578243
  H     14.12200101     10.80107553    -13.42414712
  H     15.78657841      8.88961763    -16.07775337
  O     18.78375682     11.70968178    -13.11565376
  H     15.61191682      5.33241807     -8.17713974
  H     15.04475505      8.98335139    -17.41114056
  O     18.35352799      8.25458960    -11.89816753
  H     16.25071325      6.47459587     -9.00377526
  H     13.54532803      8.93185309    -12.00021030
  O     16.15519100     10.04761634     -8.77562512
  H     17.69505229      9.62745340    -16.66588361
  H     12.29910839      8.05789481    -12.25822915
  O     15.83489150      9.29593736    -16.95782047
  H     18.42722491     10.88462749    -16.16578352
  H     12.98397837     12.84255441    -14.47338126
  O     13.00748242      8.21983506    -11.62416515
  H     15.46184978      4.81211844    -14.08444549
  H     14.07628695     12.03411690    -15.22003612
  O     13.31324961     11.95986627    -14.61671187
  H     14.31619502      4.84401716    -13.09210170
  H     12.85391468      7.84532046    -18.36542922
  O     13.25157236      8.20898287    -17.57787232
  H     20.78420061      9.00249495    -14.30084689
  H     13.21505240      7.51058070    -16.90197941
          69
 Energy    -247.99700961314403     
  O     -5.65986915     -0.54536670      0.43961403
  H     -5.94000698     -1.30306709     -0.06882411
  H     -0.98465992      0.70228043     -0.27274995
  O     -2.86409225      4.04613690      5.33518370
  H     -4.78691483     -0.77176464      0.80102721
  H     -4.50576119      5.86959457      1.84784275
  O     -6.63928291      4.40876814     -0.19060896
  H     -3.34419460      3.45631148      5.92984329
  H     -5.24433826      5.54219763      0.52937897
  O     -1.10858965      0.95492767     -2.01482979
  H     -2.09206754      3.55382707      5.03619222
  H     -3.92410597      0.00973948      2.90803547
  O     -3.14072378     -0.93209433      1.57579390
  H     -7.07520025      4.61248636     -1.01454163
  H     -3.76060072      0.49023714      4.37197727
  O     -4.16761565      2.87494510      2.20084315
  H     -6.14110558      3.58602799     -0.33320555
  H     -6.97090654      1.69404162      4.72988422
  O     -4.63474716      5.22542700      3.59047876
  H     -1.74177734      1.69414287     -2.02150934
  H     -6.90263913      3.13962684      5.25059557
  O     -5.11421947      2.14449749     -0.24209005
  H     -0.89518195      0.77934932     -2.92641611
  H     -1.53137438      4.00664278      1.00371189
  O     -4.34490532      2.14976897      6.90267677
  H     -2.47436999     -0.36649901      1.16111918
  H     -2.48166411      3.13587690      1.84466918
  O     -2.90867457      2.99387046     -1.80315080
  H     -2.69090109     -1.37435928      2.31221871
  H     -7.51582094      4.41595383      3.70161315
  O     -6.92769313      0.84716758      2.79883246
  H     -4.42360754      3.67412460      2.67840410
  H     -7.96210610      5.43262516      4.78468366
  O     -1.04813040      0.71057380      0.69309806
  H     -4.23194679      2.12319694      2.80419097
  H     -1.90043720      1.12417675      5.19444138
  O     -4.46272724      5.97846275      0.88780954
  H     -3.98126922      4.93173417      4.24398515
  H     -3.04964593      0.98021576      6.23190746
  O     -4.34028270      0.53688319      3.60347747
  H     -5.50610672      5.19069674      4.00355012
  H     -0.26876156      1.54103193      3.88290654
  O     -6.66915011      2.22767771      5.47039694
  H     -5.35625343      1.21617456     -0.15238706
  H     -1.04589551      2.72865906      3.31722652
  O     -1.54480881      3.27873094      1.63498921
  H     -4.76912235      2.42088509      0.62326563
  H     -7.44551923      3.82760142      1.42157837
  O     -7.25889727      4.83579976      4.54485162
  H     -4.58740151      2.25133367      7.81959002
  H     -7.49260312      2.59315809      2.36718130
  O     -2.47223948      0.48117051      5.63930732
  H     -5.17614567      2.12499927      6.39739209
  H     -0.84522170     -1.18164115      3.55093094
  O     -0.86017397      2.25844497      4.14301977
  H     -3.69200585      2.67685018     -1.33515297
  H     -1.97201925     -1.10148776      4.58251740
  O     -7.76936594      3.51456695      2.27377507
  H     -2.63003682      3.79921534     -1.35125844
  H      1.38147293     -0.13115638      2.66247642
  O     -1.67290065     -1.60416817      3.81466539
  H     -6.86220609      0.33749327      1.98620958
  H      0.01063358      0.23535273      2.04864791
  O      0.47217074      0.05144065      2.88515253
  H     -6.05330245      0.72934538      3.20351975
  H     -1.66540034      6.06273137     -0.57779170
  O     -2.10666130      5.28026002     -0.25868765
  H     -1.20590889      1.62764291      0.95852187
  H     -2.94288577      5.57633191      0.14394836
          69
 Energy    -247.99686591035967     
  O     11.92484959     10.54364564    -13.30560805
  H     11.31293173     10.01477546    -12.76165340
  H     14.64716652      5.68462332    -13.07794933
  O     10.34640698      5.58044073    -10.32508059
  H     11.48817488     11.37017087    -13.49114735
  H     12.45984955      5.60242404    -13.10392849
  O     16.88733826      5.85149136    -11.14345394
  H     10.85512234      4.75849503    -10.38361977
  H     12.80170763      4.77669715    -11.81528774
  O     15.18722457      3.64175958    -15.12655475
  H     10.98914715      6.25416269    -10.08146409
  H      9.96856754      8.14680779    -12.11832328
  O     14.21952951      3.73364036     -8.72408909
  H     17.51213141      6.58406285    -11.13516055
  H     11.14396064      8.46891584    -11.17800417
  O     15.37257245      8.52488094    -14.03194870
  H     16.48748137      5.82643852    -12.02494468
  H     19.10844071      8.37923676    -10.36841723
  O     12.36172880      3.27747029    -14.83296797
  H     15.37507763      4.45431588    -14.62639372
  H     17.59158140      8.63204204    -10.54297862
  O     16.06772781      9.04733981     -9.82216700
  H     15.76944208      3.64269571    -15.88186006
  H     12.71925255      6.84019072    -11.23815968
  O     15.23143150      2.07410079    -12.71414308
  H     14.97408441      3.48464388     -9.29185318
  H     13.33804009      7.21720183     -9.88789239
  O     12.39194795      1.63149273    -12.68026393
  H     14.32152018      3.25801649     -7.90425173
  H     16.62701221      4.04840456    -10.65501154
  O     12.17459036      3.52031349    -10.64641870
  H     16.30259814      8.79070001    -14.02412078
  H     15.94946390      2.76684190    -11.21281742
  O     15.49208921      5.83235463    -13.53305401
  H     14.97443822      8.88902473    -13.22898975
  H     14.62113513      5.62038682     -8.89836302
  O     13.07118634      5.52841657    -12.35781156
  H     11.93772032      4.14495916    -14.85458116
  H     15.56289181      6.27712236     -9.91863306
  O     10.48170398      8.87636169    -11.75038689
  H     13.29169415      3.41960358    -15.05174942
  H     18.23713822      8.83501653    -12.74380071
  O     18.38771983      8.28543829    -10.98593816
  H     15.42787487      9.38776958    -10.46177973
  H     18.77550324      9.64417973    -13.93520691
  O     12.62756053      7.46079441    -10.49610934
  H     15.65602554      8.27736272     -9.41095449
  H      9.56349178      6.08119060    -11.81830308
  O     16.23084590      3.20709446    -10.39683120
  H     14.30680699      1.80666475    -12.65717965
  H      8.30652581      6.28847544    -12.69555490
  O     14.89938904      6.47773360     -9.24108440
  H     15.31521966      2.52296781    -13.56335564
  H     13.42151325     10.06918422    -12.26212275
  O     18.04111431      9.10418216    -13.65361083
  H     12.31152648      2.20245626    -13.46635375
  H     13.56435867      8.85030463    -11.32844951
  O      9.24265113      6.46618793    -12.65339879
  H     11.97138634      0.80399481    -12.89745554
  H     13.63195404      8.30935290    -14.81759824
  O     14.06653953      9.55478362    -11.75975666
  H     12.86471561      3.47703617     -9.97177620
  H     12.34365886      9.07022566    -14.49905611
  O     12.67314089      8.26863679    -14.92186119
  H     12.24907215      2.75740018    -11.23434731
  H     11.76834518      6.73435223    -14.72563851
  O     11.34905130      5.89670747    -14.47138805
  H     15.50603429      6.76136687    -13.80041526
  H     10.55224369      6.10399749    -13.96765453
          69
 Energy    -247.99671241680724     
  O     -4.43696889      8.25255537     -5.73831816
  H     -5.30578172      7.90464926     -5.49110621
  H     -7.49805258     11.59577999     -8.31677016
  O     -3.43650434      6.16456086    -10.50475445
  H     -3.75790032      7.76049834     -5.26332579
  H     -2.89053129      5.78576371     -4.91133727
  O     -2.36254275      9.66027259     -8.82957575
  H     -3.80992033      6.37683605     -9.63268200
  H     -1.82374234      6.54552810     -4.08998024
  O     -7.02979959      7.27234117     -5.51174720
  H     -2.59363673      5.74539681    -10.30701839
  H     -5.72054117      3.37619993     -9.96258345
  O     -4.22151881      8.81936102    -10.83461240
  H     -2.03161199      8.88004340     -8.35335370
  H     -5.75714055      1.84427401     -9.74538911
  O     -4.75008744     10.37612361     -7.44993168
  H     -1.60412797     10.21729252     -8.98744672
  H     -3.91955549      4.75822874     -7.79321357
  O     -3.93947349      4.40664135     -5.07447420
  H     -7.01503087      6.35821361     -5.20345931
  H     -4.21865617      3.32012970     -8.28455671
  O     -7.05016835      6.96110277     -8.24960374
  H     -7.08432057      7.21649538     -6.47998716
  H     -1.64158586      7.17038580     -6.61182610
  O     -7.60855606      3.67493560     -7.47757083
  H     -3.60944896      9.20261001    -10.19465278
  H     -1.31968766      6.61753542     -8.01415171
  O     -8.98538832      9.08070568     -6.55487883
  H     -3.90945223      7.91257348    -10.95345030
  H    -11.49321666      7.51736136     -7.71801925
  O     -1.32502151      4.93452846     -8.98717684
  H     -3.94493406     10.27932053     -7.97004305
  H    -10.04355521      7.96232139     -7.48179197
  O     -7.29192332     10.66477046     -8.29571944
  H     -4.66637103      9.71319210     -6.74908536
  H     -6.47882670      5.30634600    -11.26432020
  O     -2.34430918      6.59177420     -4.88748752
  H     -3.75862773      4.02439998     -5.94355994
  H     -4.94851919      5.20696870    -11.01500253
  O     -5.64890517      2.67454301     -9.28943561
  H     -4.90065179      4.44321969     -4.99780692
  H     -7.64001160      7.37297167    -11.17302088
  O     -3.57386882      3.84887186     -7.79920464
  H     -7.00774784      7.65061541     -8.92378746
  H     -8.30176057      6.69814696    -12.39252383
  O     -1.40301655      7.43463829     -7.50815019
  H     -7.73334989      6.33478432     -8.51504165
  H     -7.10209313      4.19419477     -5.89830813
  O    -10.59418310      7.33528421     -7.97877099
  H     -8.24144818      4.13261823     -8.04609158
  H     -7.29490011      3.98303423     -4.38110936
  O     -5.76369977      4.69043023    -11.07271897
  H     -6.95776106      3.27673223     -8.06771810
  H     -4.24309189      7.08496124     -7.28576513
  O     -7.95691216      6.52228153    -11.52034477
  H     -8.42093447      9.63162745     -7.11108949
  H     -5.40689529      6.49995785     -8.10971606
  O     -6.80600478      4.49543080     -5.02036458
  H     -8.39143115      8.57733526     -5.98413405
  H     -7.13467194      9.52299064     -9.75755365
  O     -4.45289368      6.42993605     -7.95897477
  H     -0.58833592      4.33376004     -9.06485159
  H     -5.96485176      8.85391892    -10.54883704
  O     -6.91082477      8.78668402    -10.34027794
  H     -2.04272300      4.44009888     -8.55650457
  H     -8.88570538      5.65434723    -10.05112485
  O     -9.12391001      5.34904376     -9.16744349
  H     -6.37162289     10.59100937     -7.98184687
  H     -9.73165961      6.00349406     -8.78515433
          69
 Energy    -247.99671048660457     
  O     12.25227431      2.13760108    -10.14489124
  H     11.82992460      1.45554339     -9.62967747
  H     17.13497332      5.77212690    -16.42965891
  O     18.15974944      5.47277791    -10.63025981
  H     12.12459212      2.97304172     -9.66015037
  H     17.16595343      6.57536161    -13.13238294
  O     14.20550582      8.69739255    -12.28510017
  H     17.96329575      5.35434602    -11.56897188
  H     17.68535120      5.61665576    -14.23209854
  O     14.94531666      8.65069411    -16.77193383
  H     17.64156983      4.81981968    -10.14462699
  H     11.39435049      7.28569772    -14.26140826
  O     18.10907308      8.10392685    -10.13997656
  H     14.12019825      7.80380384    -11.90490047
  H     10.58418413      5.98218363    -14.35046170
  O     14.57560211      5.62525046     -8.72932647
  H     13.74143006      9.29118531    -11.70036098
  H     14.21446443      5.96549541    -10.46024585
  O     16.54659439      3.66183720     -9.16068339
  H     14.93094038      9.33288110    -17.43775288
  H     14.30061139      5.47558845    -11.94475429
  O     13.16722868      7.82304939    -14.76217724
  H     15.80589052      8.71496205    -16.32015112
  H     14.02767741      2.28609037    -10.70233510
  O     15.50993799      5.83697028    -17.03718185
  H     18.99199342      8.40991095     -9.94992263
  H     14.92556752      2.97819559    -11.76297806
  O     11.94668747      4.56584358     -8.95853570
  H     18.16851583      7.13788361    -10.26831948
  H     17.36629608      8.39892068    -11.84925263
  O     17.33889967      8.59905359    -15.49034907
  H     15.27206075      4.95688478     -8.76865438
  H     16.00253738      8.56257440    -12.57192373
  O     18.02033547      5.85744974    -16.03079603
  H     14.99538274      6.47705261     -8.54270036
  H     15.92285852      8.75701433     -7.81521412
  O     17.36119488      5.64703402    -13.32334195
  H     16.91680500      3.01196218     -8.56966837
  H     16.62450280      8.14550393     -9.03858940
  O     10.62569407      6.83136389    -13.89406210
  H     15.99403003      3.17724431     -9.80214782
  H     10.86739234      6.39696893    -12.12549859
  O     13.98132180      6.18485764    -11.37168896
  H     13.69814091      8.18391052    -15.48401173
  H     12.16291705      6.08230525    -11.34821571
  O     14.94466784      2.46941714    -10.94052818
  H     13.52141884      8.19117650    -13.94306646
  H     15.84910340      4.66845151    -13.20170909
  O     16.93855855      8.36573262    -12.71316009
  H     14.81491367      5.42483786    -16.50599843
  H     14.45766444      4.42953331    -13.86485275
  O     15.83458386      8.07990516     -8.48217173
  H     15.26151705      6.76611861    -17.11377042
  H     11.03027992      4.28887154    -11.98477727
  O     11.19864101      6.00863735    -11.30299039
  H     11.52893763      5.14068814     -9.61325217
  H     11.45658331      2.83303071    -11.74606710
  O     14.98397637      4.25467656    -13.07333502
  H     12.80136653      4.96339261     -8.74529955
  H     10.93877011      3.78896676    -14.07458931
  O     11.06306540      3.41673664    -12.40228936
  H     17.72286203      7.73845906    -15.69951086
  H     10.24189669      3.62025503    -15.44682631
  O     10.88636402      4.14522347    -14.98106915
  H     17.28559160      8.64115488    -14.52627121
  H     12.61480234      4.68586986    -15.26165658
  O     13.49408488      5.08469658    -15.25013777
  H     18.63449533      5.44235611    -16.62971936
  H     13.37292679      6.02194684    -15.03873537
          69
 Energy    -247.99670295986451     
  O     16.46046630      4.00998741    -15.09255248
  H     15.89780235      4.71144922    -15.44237672
  H     14.60555421      9.29410137    -16.30511495
  O     19.22260354      9.24912256    -10.69662105
  H     15.87635605      3.45576325    -14.56072166
  H     14.71366774      8.40223360    -12.21281886
  O     13.22649224     11.52460843    -10.48148360
  H     19.43987755      8.72928828    -11.48926171
  H     16.09091501      8.42088044    -11.49444866
  O     17.14161447      7.73426707    -14.42915164
  H     20.04452401      9.39921562    -10.23570091
  H     15.18311144      2.55464808    -12.49533180
  O     12.60550050      8.91430494     -9.52421010
  H     14.03794306     11.73381361    -10.00173537
  H     14.10419814      1.89772310    -13.38834344
  O     16.92656013      7.76491470    -10.02176670
  H     12.92327967     10.67721531    -10.13445252
  H     16.34977483     11.81272397     -9.76521998
  O     12.99477567      7.76747075    -11.95098105
  H     17.55068400      6.90823867    -14.13351028
  H     15.92247172     12.63967266     -8.52974883
  O     15.23138210      9.17266371     -8.44463519
  H     16.61516350      8.06814664    -13.68478854
  H     15.58511022      5.52563123    -11.78209901
  O     14.89650396      6.42445331    -15.45177542
  H     12.70959861      8.44982380    -10.37289835
  H     16.56038273      6.15361690    -10.72749127
  O     18.18933216      5.36884535    -13.39004287
  H     11.80229980      8.58635435     -9.12831160
  H     12.71377569     12.83271863    -13.29074827
  O     16.14294975      9.97966543    -15.81806446
  H     17.75531540      8.25054624    -10.10904937
  H     13.14901411     11.86603033    -12.16317670
  O     13.77022495      8.82359908    -16.47764319
  H     16.36976865      8.22040984     -9.37063121
  H     18.11309408     10.80689863    -10.99674233
  O     15.63791209      8.66005058    -12.31333673
  H     12.68904160      8.29536356    -12.70709210
  H     17.06408730     11.54067916    -11.88241370
  O     14.62601810      2.68860203    -13.28166454
  H     13.22723499      6.88301964    -12.26212918
  H     15.76212871     10.34254164    -12.92487735
  O     15.66116782     11.90892714     -9.08338552
  H     14.31597187      9.03064889     -8.71652094
  H     14.99758790     11.63312874    -13.28968697
  O     16.37642547      5.36206117    -11.25144424
  H     15.39787340     10.11719844     -8.55787906
  H     14.32508005      5.79913976    -13.83710322
  O     13.17665641     12.01573576    -13.12647384
  H     15.71170286      6.87047328    -15.18065626
  H     14.11183264      4.48800921    -13.04379619
  O     17.50933277     11.55745646    -11.02450483
  H     14.37053998      7.10402967    -15.88867799
  H     16.33879194      3.58421242    -10.99894856
  O     15.87470163     11.22973869    -13.30156158
  H     17.74927794      4.79535043    -14.03438005
  H     17.02090804      2.23261986    -10.71977847
  O     14.10041741      5.44924832    -12.96236230
  H     17.64736898      5.33152911    -12.58967253
  H     12.65081282     10.32030019    -13.80130699
  O     16.22675239      2.62214646    -11.07650324
  H     16.67036715      9.22623603    -15.52338688
  H     12.83340806      9.23176577    -14.89049575
  O     12.44370401      9.40442580    -14.02515327
  H     16.09486679     10.56752751    -15.05206352
  H     19.43382152      6.82986800    -12.98525150
  O     19.63751530      7.77428220    -12.95400089
  H     13.50407469      9.05238199    -17.36426148
  H     19.04799337      8.15680487    -13.61253606
          69
 Ord_Energy   -247.996613    
 O   -7.34908247      0.517768502       1.75847006    
 H   -8.24688244      0.252440006       1.52750182    
 H   -6.78741598     -0.244059354       1.55758989    
 O   -12.3284321      -2.86797428       4.74811268    
 H   -13.2630062      -3.03801918       4.84383965    
 H   -11.9690218      -3.59152126       4.20972347    
 O   -7.75438166      -2.41657710       3.71302867    
 H   -8.13183308      -1.66940296       4.19565201    
 H   -7.47638988      -3.07724571       4.35899210    
 O   -9.53463745      -5.54773617       5.58256197    
 H   -10.0410166      -5.21668768       4.82943058    
 H   -9.18791771      -6.40621662       5.29979420    
 O   -5.65819216      -4.17575455      0.269567847    
 H   -6.45171785      -4.71618366      0.371080160    
 H   -4.99611664      -4.56137037      0.855534911    
 O   -3.63148141      -2.22388673       3.15800786    
 H   -2.92583632      -1.64770818       2.87249851    
 H   -4.40886497      -2.00544810       2.61215973    
 O   -3.86163235      -4.94382238       2.44159818    
 H   -3.00514555      -5.36544228       2.43781757    
 H   -3.72600293      -4.04162931       2.76932406    
 O   -6.05672693      -2.61231542       7.42476463    
 H   -5.65364361      -2.02388334       6.76112795    
 H   -5.46353912      -2.63597035       8.17076683    
 O   -11.0813370     -0.552981496       3.59347415    
 H   -10.3401632     -0.355977744       4.18563414    
 H   -11.5637808      -1.28248787       3.99715352    
 O   -9.99910641     -0.466851860       1.13229585    
 H   -10.5694666      -1.16582005E-03  0.526741266    
 H   -10.4429264     -0.456497639       2.00123763    
 O   -7.03444910      -4.37843084       5.51187420    
 H   -7.91418314      -4.73557281       5.70249271    
 H   -6.71769476      -3.88143420       6.27553749    
 O   -9.39822102      -3.15600252       1.70327497    
 H   -9.65690327      -2.31649089       1.30768216    
 H   -8.83424854      -2.92170763       2.45868754    
 O   -8.02568436      -5.50942183       1.17557299    
 H   -8.48496914      -4.66058397       1.26337337    
 H   -7.46775150      -5.62947083       1.96003747    
 O   -10.5627632      -3.33188677       7.00873137    
 H   -11.2093353      -3.06703615       6.34456730    
 H   -10.2348690      -4.19061327       6.71385860    
 O   -4.98954153      -1.06420743       5.45998144    
 H   -5.45789766     -0.321100563       5.05923843    
 H   -4.49376822      -1.48991811       4.75250340    
 O   -8.44888115      -7.70801878       4.23650122    
 H   -9.04066467      -7.69634199       3.47444820    
 H   -7.62891579      -7.29534531       3.93533278    
 O   -8.65909863      -1.38638401       7.53492355    
 H   -7.80839729      -1.82849610       7.62704849    
 H   -9.33207989      -2.08003545       7.45452881    
 O   -5.90174150      -1.86018288       1.74140835    
 H   -5.88888359      -2.59868383       1.11604035    
 H   -6.54435158      -2.06518388       2.43852520    
 O   -11.0079460      -4.78545523       3.25263929    
 H   -10.9007521      -5.65287495       2.84479308    
 H   -10.5227871      -4.16467094       2.68835616    
 O   -6.35151863      -5.94282389       3.36755013    
 H   -6.52633190      -5.40883589       4.15745878    
 H   -5.45919991      -5.71738005       3.08223796    
 O   -10.1108999      -7.14115286       1.92886209    
 H   -9.37416458      -6.63517141       1.54497039    
 H   -10.4245119      -7.72996140       1.24716473    
 O   -8.78891659     -0.235938385       5.09668112    
 H   -8.75788116     -0.555271864       6.01271439    
 H   -8.03916454      0.350407690       4.94972324    
 O   -6.45073986       1.10079944       4.25962973    
 H   -6.76666737      0.954655707       3.34989095    
 H   -6.24765301       2.02978420       4.33335876    
          69
 Energy    -247.99651916766567     
  O     15.96593560      5.09321555    -12.38102966
  H     16.14839230      4.73437203    -13.25913906
  H     17.98718189      5.36825273    -15.06682533
  O     14.53759714     11.48810989    -12.35890202
  H     16.76815525      5.00365733    -11.84907909
  H     16.13168662     11.00539425    -15.23908468
  O     17.09775007     11.64560848    -13.72607657
  H     15.37669908     11.66045715    -12.80191502
  H     15.98987917      9.58834773    -15.83558197
  O     11.16530120      7.51775478    -16.34790144
  H     14.00103306     10.98642543    -12.98847705
  H     15.56395573      8.37791947    -12.02546547
  O     17.16006647      7.00279400     -9.12366837
  H     17.56171516     10.93478175    -13.25467538
  H     16.01466143      6.96669520    -12.52986982
  O     12.90112681      7.06110970    -14.16700955
  H     17.69141807     12.39276874    -13.74114753
  H     14.45491731      7.89696890     -9.83089441
  O     13.34030321      9.83820651    -14.30555000
  H     11.62371725      7.25605038    -15.53709599
  H     13.92062111      6.50889676    -10.22051033
  O     13.65242693      9.85529299    -17.79473838
  H     11.76485970      7.29498857    -17.07039266
  H     18.80836153      5.78530268    -11.49748792
  O     16.35813636      4.21896344    -15.01913866
  H     17.57028612      6.32142005     -9.66658882
  H     18.98763330      4.50282666    -10.64742822
  O     16.41264760      7.92335700    -15.45508477
  H     16.20135785      6.87721287     -9.18835012
  H     12.85232132      4.74319295    -11.60610641
  O     14.52596716      5.95466815    -16.10547027
  H     13.12065284      7.99795639    -14.06325639
  H     14.25216516      5.29096208    -11.97389678
  O     18.55580746      6.14513029    -15.04742986
  H     12.96743403      6.63322068    -13.30578355
  H     18.17822977      9.65349251    -11.34577806
  O     15.60865062     10.48083405    -15.85586024
  H     14.12299912     10.02739333    -14.84251652
  H     17.50321618      8.90172951    -12.50834335
  O     16.00893119      7.90727625    -12.74293027
  H     12.57725770     10.07667501    -14.84737769
  H     19.29228859      7.87472249    -12.50184943
  O     14.40880411      6.97561097     -9.53514803
  H     14.38260936     10.19029330    -17.25812004
  H     19.27186180      6.66175935    -13.46644763
  O     18.33861361      5.13584670    -10.94159473
  H     12.84321183     10.13800770    -17.35059257
  H     17.56254378      8.65699281     -9.34882617
  O     13.32715021      5.54530432    -11.81249801
  H     16.34038484      3.36343715    -15.44082253
  H     17.98776276     10.01944922     -8.74842379
  O     18.21438025      9.52869943    -12.30409788
  H     15.69689633      4.76811489    -15.47382705
  H     13.24405028      7.05852180    -19.21374539
  O     19.49789135      6.93665111    -12.56451759
  H     16.24673245      7.95876784    -14.49934503
  H     13.48337188      8.15497554    -18.15016860
  O     17.68437162      9.60399793     -9.55053052
  H     15.79343423      7.27406813    -15.81069033
  H     15.88933129      9.64087985    -10.19203015
  O     13.30247795      7.20551731    -18.27358691
  H     14.14917961      6.27167365    -16.93623693
  H     14.79616837     10.23850332    -11.12826601
  O     15.04239795      9.45486588    -10.61582597
  H     13.95270059      6.28271527    -15.39533159
  H     11.11842258      9.27638747    -16.26851348
  O     11.29318485     10.23234782    -16.20280692
  H     17.97476273      6.87238689    -15.30844313
  H     10.45055578     10.67432600    -16.25558941
          69
 Energy    -247.99648980501661     
  O     -0.18867842      5.40384236      3.93896159
  H     -0.08455345      6.32863964      3.73078101
  H     -2.35327234     -2.08168996      4.44976788
  O     -1.87473325      3.62298078      2.44526365
  H      0.52917074      4.93121230      3.47710564
  H     -0.45313898     -1.16540740      2.22610008
  O      0.12184313      4.01749959      6.34961520
  H     -1.48460459      4.29924734      3.00928101
  H     -1.28831080      0.12427342      2.54894403
  O      0.63894184     -3.18887657      0.12166547
  H     -1.22451104      3.45157453      1.74719696
  H     -4.08604975     -0.81542856      3.09020873
  O     -1.32271761     -0.02003145     -1.89629767
  H     -0.02345273      4.57411853      5.56995081
  H     -3.09575613     -0.11393774      4.02269976
  O     -2.78309902     -1.39462838      0.07269509
  H     -0.28599500      4.47244718      7.08246399
  H      1.01173529      1.48187613      4.65278664
  O     -1.90229215      1.23424672      3.86767420
  H      0.64137391     -3.09394988      1.08174103
  H      0.35176226      2.33076447      5.79522415
  O     -4.88212490     -0.13285217      1.42635786
  H     -0.21703683     -3.57763117     -0.10849005
  H      1.22619428     -2.23849299      3.34154527
  O     -2.00772530      2.55385916     -1.48685946
  H     -1.88765496     -0.54960531     -1.31726395
  H     -0.23553203     -2.74336925      3.54837782
  O      1.30331652     -1.10588991     -1.44911380
  H     -0.43532246     -0.38987670     -1.82405920
  H     -2.47398309     -4.35362387     -1.17739722
  O      0.50662110     -1.21434408      6.11633519
  H     -3.61904369     -1.06836222      0.42466954
  H     -2.34226655     -3.10847386     -0.28634979
  O     -1.63082174     -2.64329307      4.78057721
  H     -2.10218625     -1.07432168      0.68516821
  H      0.42115591      0.35425406      1.04268581
  O     -0.91693866     -0.41124439      1.83648159
  H     -1.97018461      2.08140031      3.40984449
  H      1.43400240      0.18159379     -0.10852965
  O     -3.57504671     -0.94684547      3.89563261
  H     -1.15259625      1.30308424      4.47414602
  H      3.33526842     -1.79908637      4.72479993
  O      0.37669768      1.45713361      5.38135140
  H     -5.82665556     -0.03463380      1.34059253
  H      1.89417364     -1.35252681      5.07742497
  O      0.44812801     -2.58105788      2.88394609
  H     -4.49509433      0.73932280      1.22912798
  H      2.46378149      0.36924940      3.59824414
  O     -1.95796261     -3.98171253     -0.46657729
  H     -1.74624853      1.63452409     -1.67747601
  H      1.93779805      1.03778174      2.31275950
  O      1.22743099      0.73319898      0.65438515
  H     -2.26657517      2.94338338     -2.31760411
  H      1.18806966      3.80859218      1.71734796
  O      2.55725553     -1.38290267      4.36318806
  H      1.92802700     -1.39762923     -2.10693170
  H      1.97464362      3.12014142      2.85448944
  O      2.18557848      1.21779394      3.23132930
  H      1.09442645     -1.88249054     -0.89725641
  H     -3.26705304      2.81261951      1.42600248
  O      1.63661420      3.97342799      2.55796137
  H     -0.28769365     -1.64700324      5.78247711
  H     -3.23011179      2.33086200     -0.03077947
  O     -3.72941589      2.25200295      0.79123740
  H      0.37608091     -0.26044080      6.00635455
  H     -0.65602304      3.09482101     -0.31991877
  O     -0.01342924      3.17421624      0.39598893
  H     -2.04434307     -3.39773163      5.19288288
  H      0.46567727      2.33212701      0.41534256
          69
 Energy    -247.99644761016020     
  O      1.76034097      0.04263172      3.29373174
  H      2.63238101     -0.15075067      3.62904914
  H     -2.36908933      0.90530419      3.23225571
  O     -3.09022575     -1.84358824     -3.09377800
  H      1.73687859     -0.28770540      2.37761173
  H     -0.97363922      3.45123623     -0.15802756
  O     -0.44167058     -0.13529437      5.12192563
  H     -2.27186067     -1.39469075     -2.82297578
  H      0.32515410      2.99038671      0.51748932
  O     -4.67061032     -1.06116021     -0.86411766
  H     -3.11176737     -1.82227286     -4.04724176
  H     -2.01423985      0.44337218     -1.07915645
  O     -2.37684162     -4.00142358     -1.27953528
  H      0.27121759     -0.02102256      4.47920863
  H     -3.46941760      0.27430414     -0.59618868
  O     -0.19254419     -2.69567452     -0.18925798
  H     -1.14275642      0.48344758      4.89405488
  H     -1.86527088      0.55508354      1.03322880
  O     -2.84716333      3.30470776      0.77605667
  H     -4.38536334     -1.74754580     -0.24097852
  H     -0.62195514      1.01445931      1.84484286
  O     -3.97080249     -1.33556813      4.71134968
  H     -4.32038916     -1.31835351     -1.72528440
  H     -4.54823257     -2.87549606      1.61913515
  O      0.72385048      2.36794597      2.13450726
  H     -2.96627071     -3.83634907     -0.53158854
  H     -3.01713351     -2.76330207      1.43225122
  O     -0.84763755     -0.66138943     -1.97959375
  H     -2.69258130     -3.43089587     -1.98969734
  H      1.61728279     -0.06710181     -0.02539911
  O     -4.95058844      2.41661713      2.54705449
  H     -0.54065312     -2.62224560      0.71155991
  H      1.18903848     -1.49601168      0.35584939
  O     -2.86986797      1.21001334      4.00695794
  H     -0.79877283     -3.29916471     -0.64287029
  H     -1.86177528      3.64195713      2.38806548
  O     -0.07139592      3.18091650     -0.34803973
  H     -3.62666432      3.16723437      1.32883155
  H     -1.91981554      2.95978132      3.75751764
  O     -2.69366038      0.84527980     -0.52275633
  H     -2.81248571      2.51517279      0.21587734
  H      0.74856123      1.89730181     -1.18213407
  O     -1.37127424      0.40810681      1.85127786
  H     -3.64703520     -0.43853753      4.56407624
  H      1.94586883      1.47559876     -2.06396576
  O     -3.84073727     -2.97615905      0.97050785
  H     -3.19183310     -1.87016987      4.90690931
  H     -1.09666040     -3.22615496      5.69340746
  O      1.68331670     -0.72929119      0.67203592
  H      0.10610134      2.86442011      2.69442083
  H     -1.03308663     -1.76884710      5.16875428
  O     -1.42557714      3.61358320      3.25201044
  H      1.20950086      1.73683754      2.67578223
  H     -1.39953453     -2.53536697      3.17298719
  O      1.22665044      1.12916624     -1.54219097
  H     -0.10086936     -0.04937965     -1.99228389
  H     -1.37463475     -1.34391823      2.16767069
  O     -1.45994032     -2.63547224      5.03976450
  H     -0.61955123     -1.36356284     -1.35181274
  H     -6.46722630     -2.70486538      3.35534646
  O     -1.44218174     -2.30850301      2.23774180
  H     -5.69887793      2.94297521      2.81696709
  H     -5.14367210     -1.93842962      3.60100116
  O     -5.75888729     -2.24693423      2.91114773
  H     -5.30963306      1.62641545      2.10442584
  H     -5.62964352     -0.16509450      0.50739132
  O     -5.87562095      0.15458752      1.38406704
  H     -3.65100051      1.65337758      3.64815010
  H     -5.93345169     -0.63385592      1.93816734
          69
 Energy    -247.99643165513447     
  O     14.17634381     13.37835341    -10.14131426
  H     13.76734932     12.57793487     -9.78693036
  H     12.67085774     14.31415191    -14.25865882
  O     13.78091233     12.55963830    -16.98948115
  H     15.09285558     13.38854699     -9.83429519
  H     18.40864924     13.48776770    -13.16233797
  O     15.79674411      8.98578387    -11.89219861
  H     13.29503479     11.79929827    -16.64150743
  H     19.75285367     13.05376123    -13.79802307
  O     15.38777802     15.84008770    -12.79104484
  H     14.57076508     12.18739584    -17.39841275
  H     12.60380520     10.61519395     -8.52997942
  O     12.88931058     10.22917593    -15.73658297
  H     15.73435337      8.23411783    -12.49243072
  H     13.06225372     10.36015557     -9.98461635
  O     15.39984272      7.26435201    -14.11571371
  H     16.27764178      9.67008322    -12.38284740
  H     16.74421530     11.38323968    -18.52215605
  O     14.71706109     12.41879124    -12.78120400
  H     15.14882953     15.48561225    -13.65725369
  H     16.68717369     12.07872776    -17.14044361
  O     13.03446296      9.49634792    -11.51726818
  H     14.56213453     15.87966919    -12.29530882
  H     11.79157882      7.60477409    -14.78897037
  O     15.65864303      9.60383385    -15.57681827
  H     12.34872352      9.43014916    -15.81821072
  H     10.57972875      7.52100480    -15.73515288
  O     17.14094842     13.39502889    -16.10096931
  H     13.81215758      9.95369812    -15.66392110
  H     15.12924929     10.50640825     -9.22344628
  O     12.22747205     11.38988917    -13.34084137
  H     15.86061982      6.53200805    -14.51782826
  H     16.07491680      9.82864251    -10.22953437
  O     11.95250933     14.11751093    -13.64759682
  H     15.48864620      8.01685003    -14.72390590
  H     16.68914645     12.06890867     -9.51358607
  O     18.80997854     12.92978785    -13.85509329
  H     14.62805550     12.81597141    -11.90855373
  H     17.40033337     13.19859359     -8.73266555
  O     13.22965980     10.89818648     -9.19138306
  H     13.86141670     12.01752723    -12.98932862
  H     17.64253114     11.50941208    -13.60430555
  O     16.31908793     11.34729278    -17.66976306
  H     12.67786828     10.13305784    -12.15610546
  H     16.13884173     11.52625877    -13.21437034
  O     11.44540387      7.90969245    -15.64467871
  H     13.97980556      9.38299740    -11.69250767
  H     13.31559714     14.77375769    -10.82706287
  O     16.05729995     10.43445336     -9.47759026
  H     16.11018731     10.08139875    -14.86508876
  H     12.50390403     16.08462618    -10.70186913
  O     16.86804262     13.02613910     -9.50528081
  H     15.89482108     10.06395716    -16.39258750
  H     13.58028937      7.14803246    -13.54707894
  O     16.87346074     10.94489026    -13.47148305
  H     17.77178523     13.29206632    -15.37820590
  H     12.65077753      7.91036283    -12.58306670
  O     12.91605273     15.50070740    -11.33368526
  H     16.36113614     13.81901186    -15.72352856
  H     16.84702466     14.93111211    -12.19347163
  O     12.65841603      7.23755728    -13.27392106
  H     11.94594131     12.30956464    -13.45300575
  H     17.36147126     13.93039910    -11.11586845
  O     17.58567013     14.35361250    -11.95127105
  H     12.35456091     10.99931846    -14.21815883
  H     14.26669202     13.68308100    -15.71548895
  O     14.60337053     14.19210361    -14.96042280
  H     12.15132780     14.63028496    -12.85385312
  H     14.68243195     13.58318817    -14.21039815
          69
 Energy    -247.99638298775830     
  O     14.43850198      8.66031757    -17.62854304
  H     13.47562185      8.80686142    -17.66923332
  H     16.65059578     10.60741532    -11.77340365
  O     11.27206130      9.28059125    -11.96362076
  H     14.63911267      7.96076818    -18.24351813
  H     14.69731756      8.03290176    -13.38619795
  O     14.43638472      9.08583740    -14.85651915
  H     11.62381410      8.48384181    -11.54435933
  H     15.47999840      8.25675245    -12.08975413
  O     14.84228199     11.50125019    -17.47014031
  H     10.77931112      9.79391072    -11.31018342
  H     12.54382869     14.49173001    -11.17278267
  O     11.65341993      9.48550136    -14.71296841
  H     14.84856098      9.95585937    -14.76410182
  H     12.80637387     15.89235406    -11.77746863
  O     13.35489715      8.13704319     -8.45026769
  H     14.52908248      8.82749133    -15.78229659
  H     13.48768856      7.21970382    -11.56279262
  O     13.53623752     10.88960719    -11.71724509
  H     14.85994726     10.54650711    -17.61242677
  H     12.48590733      6.13651366    -11.09569960
  O     11.80703381     10.37563469     -8.05677833
  H     15.17786222     11.64414038    -16.57555669
  H     16.64470628     12.80437092    -11.96107874
  O     15.53467479     13.68357024    -10.91133073
  H     11.37246755      9.35648666    -13.79826144
  H     18.08117128     12.66813812    -12.51705554
  O     10.11071968     10.99170579    -10.05565493
  H     12.61196367      9.35158982    -14.72342417
  H     11.31957154     11.27674710    -15.06713714
  O     13.33086985     12.89743905    -13.61505464
  H     13.17491585      7.72451785     -9.30423428
  H     11.54136964     12.29079819    -16.20670018
  O     16.09328829      9.92300945    -11.38607267
  H     14.21818633      8.56026037     -8.52341598
  H     13.77165978     11.55084582    -10.07137355
  O     14.86697944      7.64578686    -12.51560204
  H     12.77774703     10.30522433    -11.83248068
  H     14.65308086     11.26637359     -8.83437606
  O     13.12029298     14.99237784    -11.77778559
  H     13.45634291     11.60115523    -12.36697118
  H     16.21207986     11.84739818    -14.08366794
  O     12.70203288      7.06142833    -11.00858894
  H     12.52144664     11.00291462     -8.20609333
  H     14.73881495     12.17502786    -14.39905105
  O     17.22592577     12.24651566    -12.50852349
  H     12.23250788      9.50574291     -8.10197968
  H     13.17808748     11.96775276    -17.80401732
  O     11.31533286     12.22283408    -15.27076860
  H     14.82245654     14.24580749    -11.23922486
  H     12.14455147     12.66389818    -18.71973978
  O     14.02346229     11.90098164     -9.19885817
  H     15.14166001     13.15699170    -10.20552245
  H     15.99298340      9.74666196     -9.62343534
  O     15.50766900     11.67590406    -14.71731308
  H      9.20472311     11.05795191     -9.76467497
  H     16.57155888      9.55251391     -8.20020881
  O     12.22533325     12.09823348    -17.95679585
  H     10.63871098     10.73125255     -9.27847159
  H     12.49582715     13.03177860     -9.55380743
  O     15.76778451      9.74215377     -8.67740295
  H     13.20902553     13.71084427    -13.11412783
  H     11.13035300     12.68689307    -10.16981108
  O     11.75558416     13.40996910    -10.04499636
  H     12.55947283     12.75708119    -14.18636667
  H     11.79797478     10.23539763    -17.76557959
  O     11.80382126      9.29892209    -17.52872979
  H     15.17848859     10.19499017    -11.56970258
  H     11.56718226      9.26188562    -16.59176137
          69
 Energy    -247.99634604605882     
  O     -2.87907341     -5.21332230     -4.31912743
  H     -2.18163048     -5.40821413     -4.95708368
  H      4.44777143     -1.68866808      1.33968096
  O     -3.81532010     -2.76718923     -5.08875830
  H     -2.49755277     -5.39602631     -3.45082323
  H      2.15275486     -4.41985664     -2.93388029
  O     -0.63542695     -5.28339409     -6.11557140
  H     -3.54586081     -3.64418310     -4.76079737
  H      3.35727633     -3.52266139     -2.53612832
  O     -2.07068903      0.72597475     -1.01572485
  H     -4.72567153     -2.84682767     -5.36101767
  H      0.92622786      2.41221787     -1.35749415
  O     -1.45669781     -5.29318976     -1.86341465
  H     -0.86817352     -4.38021814     -6.39601539
  H      1.04314614      0.88439734     -1.57625119
  O     -0.34746291     -1.22844252      1.95348443
  H     -0.39304228     -5.76541197     -6.90105816
  H      0.80626576     -2.91723024     -0.36403211
  O      4.06905112     -1.71366365     -2.13573928
  H     -1.15908338      1.03721145     -1.06004180
  H      0.64997281     -1.61501527     -1.20088141
  O      0.47061352     -4.43027911     -3.66886777
  H     -2.24725400      0.22099813     -1.81888314
  H     -3.43678284     -1.71510003      1.52706211
  O     -1.26574536     -3.74583383      2.70301573
  H     -1.03375886     -5.56752168     -1.03807691
  H     -2.93111948     -3.11756307      1.93531298
  O     -0.06525993     -1.75083074     -4.21035717
  H     -1.92978081     -4.47814576     -1.63736316
  H     -2.58924428      0.31762274      0.58801641
  O      2.15299662     -4.04377611      0.16121748
  H     -0.15608132     -1.52295357      1.04809045
  H     -3.26490787      0.81746135      1.88594009
  O      3.79973512     -1.70286350      0.63974667
  H     -1.16117664     -0.70842305      1.90712650
  H      1.56021493      0.76606005      0.54564612
  O      2.96824265     -4.39503443     -2.41254947
  H      4.05326005     -1.71942343     -1.16471566
  H      1.20307648     -0.21904089      1.67011815
  O      0.68909747      1.56832307     -0.98024798
  H      4.96066563     -1.49622412     -2.39735075
  H      0.67085833     -5.15127440      0.55477126
  O      0.20169690     -2.19212631     -0.57313613
  H     -0.15748792     -4.75772876     -3.00823422
  H     -0.64953626     -5.00375466      1.32351684
  O     -3.59826192     -2.66022922      1.40807610
  H      0.22123589     -4.82474652     -4.51391241
  H      2.45715707     -0.89343422     -2.45483585
  O     -2.78093384      0.08493864      1.51467801
  H     -1.11770553     -3.95583469      3.62239130
  H      1.06777372     -0.88909077     -3.18795392
  O      1.95049058      0.19691901      1.21942162
  H     -0.86160438     -2.87692711      2.54824255
  H     -2.94535539     -2.84280282     -0.24649334
  O     -0.22540015     -5.50639952      0.61880871
  H     -0.92560906     -1.51017303     -3.83564559
  H     -1.51676977     -2.63774174     -0.85205488
  O      1.56935878     -0.51704828     -2.44674292
  H      0.10778367     -2.67710545     -3.98407908
  H     -0.81263772     -2.22613738     -5.91541062
  O     -2.43450352     -2.86463109     -1.06671966
  H      2.74215770     -3.35173346      0.47812206
  H     -2.26038802     -2.63956511     -6.21453878
  O     -1.35993477     -2.69346037     -6.56030801
  H      2.47901817     -4.30579696     -0.71550457
  H     -3.09902624     -1.53700040     -3.84028043
  O     -2.56426417     -1.13842135     -3.14313594
  H      3.15399158     -1.00334446      0.84523778
  H     -2.60584155     -1.75835609     -2.39575260
          69
 Energy    -247.99624448898606     
  O     -1.82075663      5.04049677      3.71853144
  H     -1.15961805      4.76988276      4.37273673
  H     -2.54688769     -3.19629263      4.21423395
  O     -1.69345011      3.06495956      1.80157095
  H     -2.52753449      5.45350725      4.20939651
  H     -1.31330251     -0.20189683      2.62066333
  O      0.20291852      4.08993422      5.42364710
  H     -1.77340983      3.83549218      2.38041425
  H     -0.49953562     -1.54341282      2.51927678
  O      0.38185766     -3.66374313      0.62115706
  H     -0.76655974      2.98727659      1.53728738
  H     -3.73761623      0.02253563      2.66635668
  O      0.07365534     -0.28082477     -1.85818755
  H      0.67950975      4.55152451      6.10862196
  H     -3.86099628     -0.48616132      1.22125398
  O     -2.29439034     -0.70759248     -0.22153133
  H      0.84651514      3.89789179      4.71581980
  H     -0.24555990      2.22678370      5.53175588
  O     -2.35249266      0.98343213      3.47653088
  H      0.39877088     -3.57573178      1.58369570
  H      0.47241934      1.03876175      4.85787836
  O      0.12856561      2.44104085     -1.82259742
  H     -0.54961205     -3.69043831      0.37118347
  H      0.97314328     -2.72280299      3.92330343
  O      2.04052465     -1.91348634     -0.60594570
  H      0.77041409     -0.85099178     -1.51128432
  H     -0.48714691     -3.23901390      3.93564900
  O     -0.34331719     -1.34432376      6.39559412
  H     -0.73755466     -0.54035170     -1.40648634
  H     -2.92337058     -3.88110270     -0.67701277
  O     -3.36703211     -3.11369217      2.71792459
  H     -1.73291038     -0.72615551      0.57079809
  H     -2.45188225     -2.49619488     -0.18385108
  O     -1.98883734     -3.25548655      5.01137569
  H     -2.45124065      0.22410900     -0.44176575
  H      2.15557053      2.43251257      3.71639686
  O     -0.75322828     -0.74138371      2.04646099
  H     -2.19343105      1.74069068      2.89222703
  H      1.64962669      3.31082272      2.55309251
  O     -4.24979629     -0.56925746      2.09690331
  H     -1.76291307      1.09398111      4.23309884
  H      0.80664613     -0.15518673      1.55293135
  O     -0.32328228      1.28260335      5.35330829
  H      0.17606094      1.47041117     -1.89091169
  H      2.01627222     -0.52609284      0.66925777
  O      0.25409974     -3.02218774      3.35396315
  H      0.34034719      2.78807637     -2.68495718
  H      1.22634999     -1.76564270      5.78730453
  O     -2.40231018     -3.44984542     -0.00358377
  H      2.75897769     -2.38588870     -1.01728704
  H      2.63888600     -2.39602534      5.89344010
  O      1.91461019      3.33855139      3.48109116
  H      1.46939937     -2.58158830     -0.18522513
  H      2.05518588      0.36502000      3.08422122
  O      1.71693023      0.10434104      1.33306285
  H     -0.49549415     -0.41939466      6.16038844
  H      2.22505161     -0.27282405      4.48458940
  O      2.04305643     -1.95999632      5.29051702
  H     -1.03176820     -1.87055386      5.97056210
  H     -1.69418350      2.23934787     -1.16456848
  O      2.07679178      0.56566493      4.03151618
  H     -3.04560060     -3.38866619      1.85362957
  H     -2.37374628      2.41793209      0.19899932
  O     -2.46626545      1.96954374     -0.65324134
  H     -3.78647349     -2.25174616      2.57664194
  H      1.27788645      1.83696561      0.99420891
  O      0.94061277      2.73591590      0.86890234
  H     -2.35375030     -3.95833513      5.54288944
  H      0.73082462      2.80237391     -0.07113334
          69
 Energy    -247.99619638259759     
  O     13.80390521      9.48332481    -16.70000317
  H     14.14737618      9.57746461    -17.58447686
  H     17.10489508      9.40870288    -11.14191324
  O     11.71456916      7.37003161    -10.70759996
  H     13.24514677     10.26415898    -16.53372752
  H     17.11601434      7.24678511    -12.58540324
  O     14.73001191      8.78531587    -14.15169964
  H     12.64549925      7.33549035    -10.44437737
  H     15.94319323      8.17620025    -12.96408594
  O     12.09922438     11.53999329    -16.17509974
  H     11.36407655      8.19157088    -10.34832770
  H     12.35801261     15.53473516    -11.51636349
  O     12.18428447      8.33869053    -13.23300982
  H     14.56128253      8.95682736    -15.08711199
  H     12.30993017     14.11334723    -10.90844434
  O     14.67410962      8.43953160     -7.57657687
  H     13.86794479      8.57210988    -13.75882881
  H     15.19263239      7.56336390    -10.88230374
  O     13.87015143     10.40411292    -10.72939069
  H     11.21241175     11.16960397    -16.08685711
  H     14.25817778      8.68579802    -10.41096166
  O     12.44183951     10.13888867     -7.60812451
  H     12.22727994     12.09516200    -15.39483342
  H     17.94673379     12.79689074    -12.45925846
  O     15.23362520     13.87030467    -10.48137162
  H     11.70014659      9.17183272    -13.16139766
  H     17.26771841     11.68776396    -11.61509021
  O     11.16354564     10.28940614    -10.25631826
  H     12.00602842      7.84998339    -12.41821244
  H     10.14066024     10.52433384    -13.80043586
  O     12.43947068     12.72160308    -13.64405346
  H     13.82706293      8.89364496     -7.46279071
  H     11.22276760     11.43938565    -13.17571786
  O     17.37930174     10.22959974    -10.71726987
  H     14.62569618      8.00093810     -8.43671099
  H     14.74882089     12.83255144     -9.15990329
  O     16.52303853      7.90648295    -12.23300892
  H     14.17985580     10.78745794    -11.55833521
  H     15.15345740     11.63001021     -8.25677441
  O     12.69441830     14.64884264    -11.62575596
  H     14.11137210     11.00964261    -10.01782901
  H     15.63213293     11.75676339    -12.97176767
  O     14.47030475      7.74808454    -10.27389434
  H     12.99949366     10.91188677     -7.75315792
  H     14.87863043     10.51544199    -13.58567505
  O     17.09949285     12.47808886    -12.16140504
  H     11.80700683     10.13792863     -8.33286358
  H     10.19855312      9.31118560    -15.75753938
  O     10.64144286     10.68722234    -12.99151837
  H     14.49006717     14.19948892    -11.00015442
  H      8.83053427      9.98539935    -16.02024592
  O     14.39782828     12.14615220     -8.56748886
  H     15.87875851     13.50651894    -11.09907046
  H     15.89480247      9.63094305     -7.78494902
  O     14.76597290     11.38633181    -13.18304173
  H     12.11661529     10.28476995    -10.44682427
  H     17.13877860     10.40205184     -7.27994738
  O      9.67209278     10.11356714    -15.59136363
  H     10.73836579     10.40240858    -11.11680515
  H     11.42492747     12.18233855     -9.79895504
  O     16.49840254     10.36958567     -7.98588986
  H     12.45376448     13.48040333    -13.04958122
  H     12.62040693     12.84128791     -9.09082274
  O     11.83398593     13.03589549     -9.61415925
  H     13.29092759     12.27248588    -13.52433732
  H     12.21171042      8.37277132    -16.31778103
  O     11.41019318      8.03785828    -15.89964839
  H     17.08648019     10.19651134     -9.79850297
  H     11.63848748      7.93311123    -14.96436078
          69
 Energy    -247.99612694938955     
  O     15.49385002     10.65877629    -15.98285008
  H     14.57582573     10.59454065    -15.68419474
  H     18.40872983      6.92248642    -11.42472228
  O     16.34665134      5.10890632    -13.33333940
  H     15.96211577     11.22436203    -15.35363683
  H     19.54313042      8.66683547    -17.80455857
  O     16.96434267     13.92562949    -11.82504818
  H     16.63928959      5.25083351    -14.24085701
  H     21.00570330      9.08475841    -18.03392916
  O     19.58298017      8.91208738    -14.83634824
  H     17.08655851      5.36780500    -12.77015796
  H     16.36735326      8.39342041    -13.85834290
  O     14.76952589      6.69519484    -17.01591765
  H     17.12229003     14.86464908    -11.78473166
  H     16.31099883      9.17632980    -15.19516481
  O     17.41564179     10.66408030     -9.07215634
  H     17.74244914     13.49085509    -11.43017486
  H     12.04640889     10.51788804    -15.24736729
  O     15.49165576      8.37019618    -12.21270184
  H     19.87448637      9.10659941    -15.73853007
  H     12.95683666      9.29935539    -14.94643247
  O     16.69581004     11.88562867    -13.75847559
  H     18.62426332      8.77639482    -14.85875939
  H     17.76698077      9.19775628    -10.17623833
  O     19.68652111      6.11821232    -14.44435715
  H     15.03704253      7.45818763    -17.54298301
  H     16.97989463      8.47842475    -11.30651474
  O     13.93310146      6.10574879    -12.68240038
  H     15.58667142      6.25629323    -16.75309077
  H     13.66826036      7.25035068    -15.70546616
  O     17.34112752      6.05694939    -15.87209316
  H     17.30692549     10.70666181     -8.12566540
  H     13.32754564      7.06036748    -14.20745409
  O     18.57951668      6.03309504    -11.77297746
  H     16.65135235     11.12590516     -9.46144829
  H     19.12943131     11.81685934    -11.48831424
  O     20.25045799      9.24717975    -17.47481247
  H     14.87664623      7.62969634    -12.27912517
  H     18.59279273     11.89671817    -10.05351617
  O     16.79557384      8.49346521    -14.71745705
  H     14.99165693      9.19501264    -12.27955235
  H     19.32031119     10.01038863    -13.45687055
  O     12.91432581     10.27488836    -14.93846134
  H     16.74595592     12.70545712    -13.25115057
  H     18.58698727      9.78236908    -12.11115853
  O     17.85849744      8.56812390    -10.90211845
  H     17.44996540     11.34930056    -13.47356554
  H     14.86945534     11.62085745    -10.96249742
  O     13.15861794      7.62269544    -14.97064823
  H     19.42597621      6.03670423    -13.51955038
  H     15.82990966     12.79882820    -10.73840483
  O     18.96627051     12.43548644    -10.76082043
  H     19.85079997      7.06205019    -14.57912599
  H     17.34275546      8.15451125    -18.28415016
  O     18.88870073     10.46770244    -12.72178878
  H     14.76570069      5.66082727    -12.92662391
  H     17.94415251      6.97063475    -17.50313341
  O     15.41200121     12.05258584    -10.29033601
  H     13.41153577      5.47163063    -12.19861684
  H     13.72886520     10.72051878    -13.32579207
  O     18.14910174      7.63642561    -18.16925248
  H     17.05774497      6.91260712    -15.50823584
  H     15.16396181     11.21753542    -13.00855746
  O     14.36168865     10.84802966    -12.60858556
  H     18.22356932      5.90496207    -15.49920010
  H     15.67246829      9.74440071    -17.53422165
  O     15.71400459      9.11594147    -18.27243713
  H     19.00723067      5.54633046    -11.07171142
  H     15.40413927      9.58126836    -19.04598987
          69
 Energy    -247.99553700110559     
  O     18.79648764      9.42263946    -11.92152629
  H     18.15100263     10.10394245    -12.15784965
  H     13.82468367      5.64777654    -11.21183172
  O     12.92987338      8.33322550    -12.46534843
  H     18.44387354      8.98953122    -11.13362927
  H     15.98084061      7.50236107    -12.71746912
  O     11.66888657      3.99380780    -12.38076109
  H     12.68582801      9.26576988    -12.42553575
  H     16.14608731      8.13907266    -11.31259632
  O     12.94254879      9.64470797    -16.61080805
  H     13.89326976      8.30341672    -12.35114199
  H     19.53360120      7.93291195    -14.63233697
  O     16.36465320      8.82308324    -15.75397482
  H     11.96849155      4.68919582    -11.77923643
  H     18.78989094      8.46313563    -13.38577798
  O     14.18072414      7.00335847     -8.59105432
  H     12.42624320      3.40792900    -12.49882166
  H     12.07940524     11.80198379    -12.41606314
  O     14.14304113      2.66368637    -13.01684238
  H     12.65281486      8.86353886    -16.11440733
  H     13.35958418     11.25923420    -11.73222093
  O     16.46972775     10.79175340    -12.66821574
  H     13.25557591      9.31740011    -17.45194760
  H     14.82502966     10.75823735     -9.86493497
  O     11.10958313      4.92753084    -14.86342909
  H     15.85186359      9.53181812    -15.34729764
  H     15.40819594     11.31349017    -11.18935382
  O     13.76731876      3.95207848    -15.37131896
  H     17.16894896      8.71485775    -15.23403323
  H     12.52121828      7.72691252    -14.11125012
  O     14.92954381      6.49844823    -15.72442506
  H     13.59969311      6.69879918     -9.30020877
  H     11.84980579      6.61831401    -14.98227267
  O     12.97347622      6.01951494    -10.94210820
  H     14.95426216      6.42846591     -8.63370337
  H     14.00985555     10.54154893    -15.44551239
  O     15.63503342      8.18647027    -12.13079518
  H     14.07198737      3.08708554    -13.89205256
  H     13.93131807     10.97006181    -13.97491244
  O     18.68136403      7.94940009    -14.20468321
  H     14.30836236      1.73779111    -13.17233975
  H     15.16881149      9.82911126     -7.59323807
  O     12.73479345     11.11157624    -12.46508967
  H     15.98168391     11.06761544    -13.45333839
  H     14.74642175      8.65324814     -8.50520488
  O     14.65669814     11.37789433    -10.58422852
  H     16.18770862      9.87460798    -12.52036276
  H     16.07915618      6.13765346    -14.39269817
  O     12.38976383      7.41710248    -15.01908188
  H     11.22468542      4.60516321    -13.95153312
  H     17.47108215      6.59254305    -13.85418243
  O     14.55174842     10.84988967    -14.70446938
  H     10.25973444      4.61487734    -15.16146878
  H     16.69090190      8.68975682     -9.30483706
  O     15.21943999      9.50453918     -8.48903505
  H     14.27318854      4.73398073    -15.62737546
  H     17.15758938      7.23426929     -9.58792743
  O     16.67891795      6.08523151    -13.63340907
  H     12.84310322      4.23040924    -15.35046035
  H     16.17772909      5.13801276    -10.06161820
  O     17.27076768      8.15333985     -9.86269507
  H     14.04417383      6.80452570    -15.48347869
  H     16.97800210      4.76335456     -8.79301915
  O     16.54281204      5.48986030     -9.23177999
  H     15.45118973      7.29961060    -15.88646257
  H     15.03540376      3.91816074    -12.01049989
  O     15.43705385      4.70103895    -11.61273554
  H     12.84189393      6.83293958    -11.45034632
  H     15.93954257      5.14204838    -12.31391516
          69
 Energy    -247.99545473469590     
  O      9.78707115     10.22237910    -11.87115966
  H      8.94386932     10.08056273    -11.45009607
  H     12.16769523     11.91096352    -18.06662779
  O     14.58515575     10.66141731    -12.52276506
  H     10.45982760     10.22052048    -11.16650714
  H     13.89625026     14.66156661    -15.15154912
  O     17.03454915     13.34855392    -13.37441877
  H     14.19103701      9.88681159    -12.09807222
  H     14.79859947     13.41668116    -15.18136292
  O     15.55594050      7.47313643    -12.98771717
  H     15.44998212     10.83542726    -12.13003369
  H     18.05392898     11.25376999    -15.54953913
  O     11.00276539     11.87831138    -13.76451753
  H     16.23935181     13.79820988    -13.68118176
  H     18.90183744     12.32096801    -16.28819354
  O     12.55400517     15.18509324    -16.35356467
  H     17.49165415     13.04779464    -14.17033278
  H     13.13854989     12.94577975    -10.74675586
  O     15.36915162     12.08991090    -16.31763182
  H     15.28939887      7.88482077    -13.81547047
  H     12.63333032     13.45574614     -9.37842885
  O     13.21835802     12.97797842    -12.50579236
  H     16.40216174      7.87640989    -12.75520047
  H     17.86904049      9.32328736    -14.23938501
  O     14.79829055      9.60819733    -15.04139394
  H     10.48989384     11.37266493    -13.12181778
  H     16.69899452      9.48529902    -15.23074322
  O     17.97438567      8.91667656    -12.41132698
  H     11.71735247     12.31748619    -13.28377067
  H     14.87496887     12.28844288     -9.35381688
  O     11.80827691     10.19166648    -10.06387355
  H     12.19532478     16.03735019    -16.58559844
  H     15.79083320     11.66254067     -8.29300589
  O     11.41417939     11.31142663    -17.91891757
  H     11.79509947     14.58837656    -16.22122575
  H     11.84595925     10.29426638    -16.40519930
  O     14.52788162     14.15910160    -14.62169224
  H     16.32878590     12.18469527    -16.26379410
  H     11.77248149     10.64204797    -14.90472046
  O     18.11370032     12.20243546    -15.76567194
  H     15.14932579     11.22776366    -15.94463159
  H     13.21717705     13.88685805    -17.64861238
  O     13.13835397     12.75956543     -9.79199860
  H     13.63302695     13.52421718    -13.18598596
  H     14.20675914     12.71024056    -17.59334753
  O     17.64972489      9.62158550    -15.13112443
  H     13.68573003     12.12561582    -12.52471127
  H     10.68313310      8.85384585    -12.91696667
  O     15.78623301     12.00953317     -9.18239829
  H     14.79245653     10.00460619    -14.15521708
  H     11.54626742      8.70755175    -14.18625150
  O     12.09631728      9.97649353    -15.52922578
  H     13.87269507      9.59325869    -15.32229393
  H     16.73797211     11.61590076    -10.65764819
  O     13.47015088     13.07504076    -18.10392706
  H     17.72481701      9.77889337    -12.03660586
  H     17.12207888     12.10381794    -12.10597353
  O     11.34591810      8.29284072    -13.33818722
  H     18.72667796      8.60617418    -11.91406439
  H     10.67908736     12.67961080    -16.74768767
  O     17.08021898     11.33370440    -11.51740731
  H     12.42871849      9.52572086    -10.39266878
  H     10.59045918     12.90050708    -15.22779859
  O     10.55977351     13.36269555    -16.07718676
  H     12.31099111     10.99640248     -9.89923933
  H     14.15923578      7.89527077    -11.86599174
  O     13.40435629      8.38559737    -11.51213666
  H     11.08725559     11.06285532    -18.77918257
  H     12.67499424      8.25492402    -12.13972253
          69
 Ord_Energy   -247.995392    
 O   -2.29708552       5.69158745       2.95438075    
 H   -1.62373042       5.18735790       2.47120857    
 H   -2.70533705       6.31409407       2.34227872    
 O   -3.53129244       1.24456155       3.54334879    
 H   -3.37074637       1.56052756       4.44099045    
 H   -3.70791197       2.04087925       3.01729608    
 O   -5.78770828       3.23389316       5.82589865    
 H   -4.91721964       2.85139203       5.98895550    
 H   -5.66894627       4.19124413       5.86042213    
 O   -3.78156328       4.62289524     -0.221783906    
 H   -2.97155881       4.27644444     -0.613833547    
 H   -3.88325882       4.15526199      0.622809291    
 O   -5.46458817      0.669514894      -2.68432498E-02
 H   -5.70491886      0.548673868      0.909001827    
 H   -5.89964437      -2.73413900E-02 -0.512205958    
 O   -5.24471807       6.04079676       5.80467224    
 H   -5.42100286       6.29042768       4.87984705    
 H   -5.66881037       6.69733477       6.35094404    
 O  -0.502252042       4.09196043       1.68163061    
 H  -0.723093212       3.82373428      0.782621026    
 H  -0.364045024       3.28642368       2.20057154    
 O   -6.82502794       4.23671532       2.26610160    
 H   -6.81853104       3.93150425       1.34626567    
 H   -7.22382212       3.55250907       2.81673837    
 O   0.103807382       4.36668062       6.19158983    
 H   0.621768177       4.52722502       5.39007235    
 H  -0.747432172       4.80806446       6.07852411    
 O   -1.39925778       3.29539776     -0.897596240    
 H   -1.83334720       2.45070338     -0.674051821    
 H  -0.886157274       3.14257789      -1.68610024    
 O   -2.64294577       1.03158224     -0.167842284    
 H   -2.27464938      0.551256776      0.583235562    
 H   -3.59962177      0.907167673     -0.139842346    
 O  -0.340856433       1.71860123       6.12538815    
 H  -0.132402107       2.66622233       6.23310614    
 H   0.199616656       1.24557912       6.75199223    
 O   -3.86762977       7.06971264       1.05540824    
 H   -3.81203079       7.81772423      0.466338277    
 H   -3.87286925       6.27330542      0.498277336    
 O   -3.04405427       2.47171688       5.97603893    
 H   -2.87671638       3.41667581       5.84001780    
 H   -2.18278313       2.08250785       6.17030144    
 O   -7.60642672       2.24303293       4.08939981    
 H   -8.42541885       2.08945584       4.55255413    
 H   -6.96659517       2.56705070       4.74981737    
 O   -6.34985495       3.37272310     -0.303967714    
 H   -6.08345509       2.44475532     -0.275662512    
 H   -5.54818296       3.86536717     -0.518992662    
 O   -2.55751061       5.20348883       5.61909199    
 H   -3.42339277       5.57262468       5.82996559    
 H   -2.39378428       5.43256283       4.69122887    
 O    1.50502241       4.30640602       3.74332237    
 H    1.03381014       4.65007687       2.97642612    
 H    1.37242377       3.35326290       3.66801834    
 O    6.56697601E-02   1.81431448       3.29185057    
 H  -0.121735640       1.73423004       4.23623705    
 H  -0.380782515       1.07254672       2.86662674    
 O   -6.02343893      0.407613814       2.60914016    
 H   -5.16910028      0.568326831       3.03281665    
 H   -6.65627241      0.953772664       3.09053302    
 O   -5.76375723       6.60343695       3.20488691    
 H   -5.17558432       6.87706518       2.49368739    
 H   -6.27008200       5.85362720       2.85801601    
 O   -1.65281820     -0.169870466       2.21368241    
 H   -1.70587027      -1.09756601       2.42885137    
 H   -2.34475017      0.281456232       2.73123932    
 O   -4.09213638       3.61553192       2.34645963    
 H   -5.02593517       3.84912181       2.43667459    
 H   -3.55856180       4.33828163       2.70142293    
          69
 Energy    -247.99527718932103     
  O      1.11700162      1.92343932      6.81862382
  H      0.27941167      2.31956562      7.08837206
  H      2.89049876     -3.13118308      6.31520050
  O     -0.92765447      4.27872492      5.18932611
  H      1.83776833      2.41937547      7.22488272
  H      0.31461721      5.26932130      8.10411995
  O     -1.45579163      2.88149991      7.52649637
  H     -0.35686660      4.83784492      4.63928319
  H      0.09296617      5.15355297      6.57729312
  O      3.38360087      3.15470927      7.83293269
  H     -1.09306391      3.47748160      4.67851109
  H      4.43651825     -0.30132910      8.12250697
  O      4.62694792      2.89089224      1.46294898
  H     -1.23193376      3.39449433      8.31303468
  H      3.28713850     -0.66448059      9.09894716
  O      2.79945939      3.74107055      3.31030439
  H     -1.44631454      3.48325479      6.76713892
  H      7.17204846      3.57854963      5.64601835
  O     -0.35522542      4.36254291      9.63272711
  H      3.94873980      2.38942878      7.65497023
  H      5.63391925      3.70036989      5.55851242
  O      5.72317998      1.27865120      3.38715001
  H      3.56875195      3.78914854      7.12943213
  H      1.33393202      1.70834887      5.09175293
  O      2.57626694      6.94190425      5.98237547
  H      5.07429567      2.27594407      2.06917154
  H      0.47717210      1.47498912      3.84026358
  O     -1.86527974      0.40945086      6.26992847
  H      4.91904634      2.65967892      0.58598363
  H     -2.09405241      1.55442606      3.28378442
  O      0.95076489      5.76104015      3.84074044
  H      3.40282520      3.52179158      2.58635268
  H     -1.60673793      1.18379783      4.70422392
  O      2.71847352     -2.19633580      6.38913992
  H      2.30262634      2.94122606      3.52740773
  H      2.83744173      0.42386238      4.45241676
  O      0.62011721      5.59896314      7.25225795
  H      0.40306246      3.79534947      9.86243793
  H      3.30607316     -0.86308575      5.18700779
  O      3.95264335     -1.04262161      8.51247654
  H     -0.64986385      4.77335139     10.44051939
  H      4.48995888      0.69148059      6.20481042
  O      6.37087860      3.06664552      5.56950342
  H      6.03456639      1.86402301      4.08775193
  H      5.62451102      1.66768525      6.59005786
  O      1.39093292      1.49710449      4.14571814
  H      5.05377424      0.71028808      3.78966904
  H      3.72647635      5.52824698      5.71642344
  O     -1.39848891      1.71576251      3.91576922
  H      2.59551327      7.85659622      6.24910466
  H      3.67763407      4.30902161      4.76468382
  O      3.61775565     -0.04781630      4.77594183
  H      1.88891184      6.50580397      6.51984791
  H      0.79227277      0.21220042      7.15039794
  O      4.97201649      1.06046137      6.96021981
  H     -1.89139792      1.19852261      6.83070693
  H      1.16312061     -1.28720017      6.98245471
  O      4.11335159      4.65803873      5.55727115
  H     -1.18341025     -0.15741910      6.64932726
  H      2.44328336      3.00656580      9.41617694
  O      0.53705330     -0.68918298      7.40798793
  H      1.46491282      6.32585135      4.42722349
  H      1.72005018      1.81374526     10.07816031
  O      1.77891542      2.77644402     10.08089948
  H      1.57607114      5.09714811      3.51557545
  H      1.12801877     -0.34059434      9.09549488
  O      1.60251373     -0.08852488      9.90435888
  H      3.20854603     -1.87816006      7.16963205
  H      1.23325694     -0.61402297     10.61096279
          69
 Energy    -247.99525292888598     
  O     -2.16747520      3.94562307      3.36898677
  H     -2.93039281      4.45766455      3.66287068
  H     -3.45515379      1.65129595     -1.53322428
  O      0.79790654      4.19692674      0.71169946
  H     -2.15434304      3.98275057      2.40088647
  H     -6.61236635      3.44504341      2.11288689
  O     -1.14111902     -0.21585005      2.83259370
  H      1.42969490      4.87693865      0.49286138
  H     -5.76046335      4.20079021      1.04687576
  O     -4.59144095     -1.45703613     -1.00901356
  H      0.81202683      4.10011142      1.68152392
  H      1.22641839      2.31174487      0.54620601
  O     -2.13660374     -2.45760415     -0.49536933
  H     -1.11049092     -0.10048670      1.87165451
  H      0.66036051      0.88245634      0.35348337
  O     -4.29889899      1.54687221      1.41601929
  H     -0.28604121      0.08302503      3.16496392
  H     -4.78328925      5.90655946      4.64460040
  O     -6.67077029      3.33069680      4.02588178
  H     -4.74056044     -0.66207635     -1.53591144
  H     -5.30749219      4.57714211      4.06054348
  O     -7.94964725     -0.52459872      0.72448279
  H     -5.02184513     -1.31078074     -0.16039166
  H     -2.26573894      3.41529847     -0.00524559
  O     -3.07059611      1.40874337      3.92610304
  H     -1.95639611     -3.23219261     -1.02073126
  H     -1.05429238      4.24069045      0.50437724
  O     -4.97927789      0.98112472     -2.43330618
  H     -3.01657446     -2.13337870     -0.76092097
  H     -4.45590099      5.56800395      2.05301167
  O     -5.42462499     -0.92498892      1.78816388
  H     -3.89753828      1.58382495      2.29334670
  H     -3.61951494      5.13350832      0.82782690
  O     -2.84082925      1.86286004     -0.82129972
  H     -5.00362891      2.20642641      1.36212477
  H     -5.83950581      0.09154927      3.59583078
  O     -6.32852257      3.42813999      1.19227462
  H     -6.37197438      2.40977635      4.13075738
  H     -4.78478730      0.93679658      4.32542168
  O      1.41093860      1.37915188      0.70883055
  H     -7.52590804      3.38649895      4.44524486
  H      0.85738712      2.80563738      3.54420045
  O     -4.59305393      5.22989372      3.99861640
  H     -7.12626003     -0.76538714      1.17685512
  H     -0.31001335      3.82705736      3.55771632
  O     -2.01329976      4.14933119      0.57116288
  H     -8.42868910     -1.34096801      0.60190540
  H      1.47439120      1.07022413      2.42407663
  O     -4.49043473      5.45591000      1.09590786
  H     -2.39024483      0.78930033      3.62603544
  H      2.18125707      0.59514437      3.71798257
  O     -5.74047835      0.78939914      4.24965967
  H     -2.69211055      2.29609422      3.86251572
  H     -2.70925882     -2.47709132      1.36349497
  O      0.63625886      3.73124779      3.38382520
  H     -5.74560860      1.24950590     -1.89267542
  H     -2.38380865     -1.66172165      2.61949341
  O      1.36148142      0.95094004      3.38556044
  H     -5.24063688      1.07840140     -3.34470237
  H     -1.25077028     -0.85266694     -0.21360550
  O     -3.05275804     -2.24167124      2.23407435
  H     -5.05826798     -0.04744684      1.59601621
  H     -1.56238194      0.66524059     -0.34647414
  O     -0.94651529      0.02768524      0.04041618
  H     -4.67439531     -1.48749548      2.03148446
  H     -7.45922070      0.89148879     -0.35132606
  O     -7.04299389      1.61858041     -0.83401508
  H     -3.33982089      1.70568718     -0.00118962
  H     -6.90916986      2.32764978     -0.19224531
          69
 Ord_Energy   -247.995239    
 O    1.19199812       1.44780946       4.48119688    
 H    1.95550597       1.05794311       4.93640947    
 H   0.840146661      0.746268868       3.92160249    
 O    2.40201235      -1.07429385       9.85039806    
 H    1.83670998      -1.17203474       10.6123848    
 H    1.84126186     -0.759635329       9.12132359    
 O    4.69294834       1.36882496       2.80917549    
 H    5.47011185       1.22210002       2.25488520    
 H    5.01127577       1.43809044       3.72034693    
 O   0.129790321       2.38453650       6.83830786    
 H   0.402075589       2.12582469       5.94150829    
 H  -0.646658361       2.93016958       6.74592972    
 O    6.61961269      -2.27963090       7.60926104    
 H    7.21645784      -2.68083763       8.23609638    
 H    5.71784782      -2.49421597       7.90688610    
 O    7.79664993      0.437349290       4.21116829    
 H    7.68492317      0.586374879       3.26434422    
 H    7.18535757       1.03966439       4.65218496    
 O    3.24136949      0.208489075       5.88295078    
 H    3.51015472     -0.670344830       5.58562613    
 H    4.03786087      0.746981978       5.92870092    
 O    7.01336527      0.556249082       1.45545363    
 H    6.73963642     -0.374424726       1.54750359    
 H    7.48879862      0.625716448      0.632592678    
 O    2.49934340      -3.92919636       6.27914190    
 H    3.07877111      -3.38796997       5.71178579    
 H    2.61536694      -4.83592844       6.00596094    
 O    4.01819515      -2.24763322       4.80856514    
 H    4.98426008      -2.20195270       4.83994007    
 H    3.73943424      -1.91290355       3.94507289    
 O    3.33642650      -1.05731821       2.43607450    
 H    2.37975287     -0.998305261       2.54454064    
 H    3.70095730     -0.166585147       2.54983377    
 O    4.20931625       1.15171623       9.37676907    
 H    3.61549115      0.443656802       9.64397240    
 H    3.66530871       1.82862532       8.94766331    
 O    1.12618864     -0.130347475       7.62587166    
 H   0.635145068      0.694218218       7.53276348    
 H    1.95105493      -5.37783001E-03   7.12841082    
 O    2.74162674       3.04799771       7.93267488    
 H    1.84176683       2.93081427       7.61078167    
 H    3.21991301       3.50915623       7.23311806    
 O    4.20435381       4.21929836       5.75652885    
 H    3.71603537       4.04141188       4.93328333    
 H    4.49444723       5.12694740       5.71833754    
 O    6.05982876      -1.93771553       1.98211348    
 H    5.10327244      -1.80973709       2.00832796    
 H    6.33337784      -2.15504837       2.88259864    
 O    2.92082143       3.43178463       3.49363494    
 H    3.54298925       2.83113122       3.06059504    
 H    2.18123794       2.86859322       3.75664449    
 O   0.574697971     -0.949213088       3.14909101    
 H   0.517031670      -1.38581133       4.01877785    
 H  -0.169111595      -1.25624001       2.63749051    
 O    5.59469175       1.79648292       5.46087837    
 H    5.25618362       2.68215179       5.63777876    
 H    5.92382622       1.41521382       6.29517412    
 O   0.477000624      -2.04978704       5.62913942    
 H    1.04976392      -2.78772783       5.87183857    
 H   0.555557549      -1.41320372       6.35082293    
 O    6.74186945      -2.04274178       4.80826473    
 H    7.17803335      -1.19424284       4.63584995    
 H    6.82301235      -2.20538998       5.75710773    
 O    6.28859091      0.584174097       7.69945812    
 H    5.60877085      0.768326938       8.36718845    
 H    6.45430231     -0.363396853       7.71302080    
 O    4.08686924      -2.84321976       8.40664291    
 H    3.47910905      -3.27060604       7.79250717    
 H    3.55088687      -2.26905584       8.96724415    
          69
 Energy    -247.99510899638247     
  O     16.85517042      9.14085131    -10.45146580
  H     16.06747011      8.77305703    -10.87258198
  H     12.60932444      8.75292184     -5.66679494
  O     14.44038133      6.28330286     -4.86112216
  H     17.54572335      8.46377280    -10.51186586
  H     17.14862848      4.39779739    -11.19736816
  O     11.93509320      7.02892585     -5.98485658
  H     14.76967005      7.10813926     -4.48364781
  H     16.86188347      2.96013114    -10.70153484
  O     14.54792351      7.84101224    -11.32954372
  H     13.54040907      6.46696007     -5.16224028
  H     15.27275651      6.14459074     -6.43306414
  O     18.86719575      7.24051068    -10.40731204
  H     12.03582341      6.88098299     -6.94147034
  H     15.60526982      7.21078423     -7.52011426
  O     20.64059440      8.94489305     -9.03282092
  H     11.07705945      6.68789701     -5.74621543
  H     18.28301555      6.15387911    -11.83479313
  O     18.02983312      5.48150392     -8.41935426
  H     13.78123916      8.33907534    -11.02272495
  H     17.15943720      5.99671411    -12.89193005
  O     12.22186072      6.70682278     -8.67082805
  H     14.58261711      7.02564254    -10.80677190
  H     18.26475628     12.37304045     -6.21556462
  O     15.32187181     12.60680442     -8.06846060
  H     18.58859670      6.63753766     -9.70166502
  H     17.67520303     10.95716765     -6.40562631
  O     12.37326670      9.17522237    -10.12713448
  H     19.60183465      7.75631558    -10.05500244
  H     15.29451908      7.33431165    -12.91701481
  O     13.43650167     10.58708674     -8.06791427
  H     21.51938223      9.26942008     -9.20874107
  H     15.68963881      7.61345388    -14.37563687
  O     13.05972798      9.60264267     -5.57151108
  H     20.03348272      9.69945833     -9.13447333
  H     14.88305818      9.46041473     -7.99276632
  O     16.78772863      3.87796145    -10.45567239
  H     17.74055658      4.79382551     -9.03127790
  H     16.12158445      9.01478499     -8.83131489
  O     15.65016674      6.26613422     -7.31390137
  H     17.23111563      5.73862463     -7.93302074
  H     18.40096489     11.26443721     -8.50967837
  O     17.79195166      5.50250732    -12.35224460
  H     12.18517742      7.52283107     -9.18373289
  H     18.03181941     10.44546742     -9.77488779
  O     17.73269469     11.84202273     -6.80326047
  H     12.90858372      6.16611637     -9.07981676
  H     16.19178335      9.00650410     -4.64505005
  O     15.83599344      7.00882668    -13.65243022
  H     15.59787696     13.17734583     -8.78312780
  H     15.68628343      9.11630155     -3.19063774
  O     15.68572549      8.92724083     -7.97275600
  H     16.13186212     12.37045470     -7.59439417
  H     14.91397250      5.76245891     -8.84957763
  O     18.76097403     10.89128991     -9.32193295
  H     11.61185365      9.62689257    -10.48192502
  H     15.21608545      4.89050034    -10.07890939
  O     15.41706683      8.87785578     -4.07455514
  H     12.71904469      9.73077350     -9.40670953
  H     19.03902879      6.74335912     -7.28103275
  O     14.59722460      5.54806015     -9.74103151
  H     14.00730827     11.36781751     -8.05881512
  H     19.89026298      8.00129972     -7.54093361
  O     19.36091876      7.55374953     -6.86893557
  H     13.22612928     10.34324367     -7.15218269
  H     16.79091286      9.15829496     -6.64729704
  O     17.43548223      9.26305904     -5.92834396
  H     13.83160820      9.43539568     -5.01842340
  H     18.16217363      8.65496652     -6.12822353
          69
 Energy    -247.99507850964790     
  O      9.86538572     11.51628243    -10.48461790
  H      9.75307885     11.38846361    -11.43317791
  H     13.16060033     12.01861591    -13.37027398
  O     13.27793996      7.78833870    -16.33489792
  H     10.25608098     12.39188580    -10.35105594
  H     16.25109103     10.09682370     -9.12864298
  O     11.47403760      7.77433318    -10.33065385
  H     12.32033811      7.73059983    -16.16033610
  H     15.77818763      9.23450184    -10.30724932
  O     13.66650147      8.44719611    -13.62126251
  H     13.48671702      7.10005067    -16.95977536
  H     13.97204297     14.43095350    -11.51338586
  O     12.63686519     13.56113991     -7.48187467
  H     11.08355578      8.36716311     -9.67827459
  H     13.40842254     15.73172531    -12.13649929
  O     13.00368993     10.64578890    -16.32551761
  H     12.42150100      7.96119559    -10.34627136
  H     13.87153287      9.56787513    -10.81935328
  O     10.98849809      8.42810953    -12.95113366
  H     12.72483307      8.46090824    -13.38667495
  H     14.10896002      8.42148978    -11.83230329
  O     13.39120544     11.32291613    -10.61895989
  H     13.71107271      8.10047300    -14.51962989
  H     16.74830131     10.86284414    -11.39788095
  O     12.69671556     10.85329906     -8.02820149
  H     12.58468769     12.59480932     -7.57079996
  H     17.71731193     11.44907971    -12.45085276
  O     15.27676427     13.43855806    -10.88012210
  H     12.21320034     13.78546665     -6.65649607
  H      9.91665713     10.95293421    -14.24195354
  O     10.25537490      9.68462306     -8.56581007
  H     13.19129140      9.70672461    -16.45373477
  H     10.84694142     11.58825832    -13.19777744
  O     12.36381521     12.42191094    -12.99632535
  H     13.61227817     10.93946489    -15.63776515
  H     15.55869683     12.44918492     -7.84307361
  O     16.48684698      9.83103415    -10.02404702
  H     10.61492660      9.31904312    -12.96725472
  H     14.51741225     13.58178446     -7.88231559
  O     13.16530533     14.85326830    -11.85721773
  H     11.03720421      8.13566057    -12.03005097
  H     14.30163093     10.13645214    -13.79744122
  O     14.14607309      8.64064701    -10.89104787
  H     14.09915823     11.97850013    -10.63106611
  H     15.36397968     11.20129878    -13.41263481
  O     16.81037308     11.47127669    -12.15647457
  H     12.77738205     11.59818987    -11.30969221
  H      9.90009611     11.18856313    -16.84248197
  O     10.04766870     11.04424360    -13.29091004
  H     12.90336942     11.04101034     -8.95900190
  H     11.23428246     10.76904848    -16.18638542
  O     15.40908796     13.34541505     -8.16859789
  H     11.85445965     10.38173388     -8.03550399
  H     14.43874044     10.55835987     -7.58035907
  O     14.57462123     11.05526472    -13.94497160
  H     15.46322437     13.46685584     -9.92853063
  H     15.58462148     10.07534656     -6.66478270
  O     10.26605964     10.70427973    -16.10699178
  H     15.92974845     12.87842538    -11.31639859
  H     11.79445240     14.33609594    -10.59549815
  O     15.40155514     10.57841802     -7.45485598
  H      9.41681031      9.44905336     -8.17924984
  H     11.66472506     13.90551342     -9.12609939
  O     11.19209235     13.92338643     -9.96623920
  H     10.06963097     10.33894068     -9.26654883
  H     10.36244753      8.78351011    -15.92253415
  O     10.64979403      7.89666829    -15.67187763
  H     12.57851469     13.32842302    -12.74695993
  H     10.65852302      7.89889976    -14.70365961
          69
 Energy    -247.99498717822487     
  O     15.44551324     11.06069413    -14.65892500
  H     16.24911675     10.74076754    -14.22174568
  H     14.07495007      4.84362062    -16.68510160
  O     12.90937486      5.78395835    -15.82992070
  H     15.66845363     11.12723120    -15.59335696
  H     19.30345668      6.12137419    -17.24620588
  O     18.42177877      7.35625268    -12.35461237
  H     13.27527505      5.83348883    -14.93333509
  H     18.65303012      5.38171285    -16.06191196
  O     18.62717507      6.85100746    -18.90208264
  H     12.56564901      6.66612269    -16.00048027
  H     18.54225127      8.46477381    -17.96555487
  O     15.96107665      6.39402547    -18.70254966
  H     19.21720298      7.15480570    -12.86223897
  H     17.81012322      8.60448335    -16.62319167
  O     14.29261205      8.87600901    -10.79279830
  H     18.09678715      8.19772092    -12.70810156
  H     15.84124360      7.95624753    -16.11220284
  O     14.10366327      6.32333919    -13.41583148
  H     18.92775091      6.60377113    -19.77207170
  H     16.73330559      6.81909354    -15.52792931
  O     17.58232563      9.59324014    -13.71103189
  H     17.67350991      6.65235129    -18.86783940
  H     13.96372839      9.15898222    -12.62323804
  O     16.99214121      4.98397532    -15.45019393
  H     15.45482860      7.15718560    -18.39309448
  H     14.38498752      9.83909759    -13.95959109
  O     13.41033334      6.29182426    -10.69710748
  H     15.58293587      5.62974765    -18.25228763
  H     16.22924946      5.88990984     -9.91675086
  O     19.98929951      9.68215922    -15.04950837
  H     13.91017957      7.98805724    -10.67543614
  H     16.17445994      4.49354098     -9.24956387
  O     14.80233686      4.33675952    -17.08922401
  H     13.92239366      9.42770851    -10.10765418
  H     12.79503614      8.82860237    -14.99871015
  O     19.47783304      5.79397234    -16.35733308
  H     14.99430441      6.00574409    -13.21868453
  H     11.53550177      9.10888946    -15.84697347
  O     18.31077801      9.10746228    -17.28421643
  H     14.15371946      7.28169208    -13.53410227
  H     21.43904461      6.64549253    -14.04873993
  O     16.59214900      7.77335048    -15.53327003
  H     18.44944302      9.78801042    -14.09842564
  H     20.20591942      6.55128103    -14.97540713
  O     13.84764107      9.12619120    -13.58052351
  H     17.15476107      8.94936389    -14.30000197
  H     17.25303278      5.98407775    -12.61601609
  O     15.86955426      4.98776864    -10.00535404
  H     16.82598691      4.87941368    -14.50333864
  H     16.36530557      4.98097076    -11.83763104
  O     12.36381083      8.63601965    -15.84862122
  H     16.23544686      4.64519955    -15.94416759
  H     16.07461228      8.12252209    -10.34310602
  O     20.56058070      6.99203240    -14.18257726
  H     14.11552024      5.73160261    -10.35029177
  H     17.46210155      7.55938932    -10.74422237
  O     16.60580137      5.27136753    -12.72547377
  H     13.45538915      6.19125134    -11.65874358
  H     16.40368823     11.66393565    -18.01486729
  O     16.78764177      7.54203715    -10.05215050
  H     19.59564282      9.55929399    -15.92306688
  H     17.03995394     10.37382025    -17.45015605
  O     16.23022652     10.91176647    -17.45449171
  H     20.30105770      8.81056856    -14.77393175
  H     15.06439844      9.43720194    -17.53012388
  O     14.67416132      8.55778101    -17.44317294
  H     14.43410899      3.50259389    -17.36750498
  H     13.82812771      8.65112073    -16.98799757
          69
 Energy    -247.99496565399991     
  O     17.38279497      8.82297424    -14.80401760
  H     17.63120997      9.74769620    -14.93965041
  H     18.58541958      3.87233520    -12.37832233
  O     14.63168245      7.63491577     -8.81165626
  H     16.89815367      8.79950315    -13.96335357
  H     15.86271108      6.05763477    -11.46583165
  O     12.49259743      7.77452494    -10.68681111
  H     15.25121931      7.23676909     -9.44751888
  H     17.17557109      6.70432131    -10.90083060
  O     15.82454060      6.65059578    -15.37339406
  H     14.74690755      7.16972011     -7.98712997
  H     19.25696826      5.05881636    -15.08278664
  O     19.76576310      7.92175530    -13.79991244
  H     12.34704428      8.72355578    -10.77841562
  H     19.94634476      4.85554059    -13.71853024
  O     20.39059021     10.44433035    -12.96440873
  H     13.14498656      7.67097130     -9.98350861
  H     16.28059838     11.90188231    -12.13487605
  O     18.91963225      6.88277715    -11.32267631
  H     16.44005817      7.39546838    -15.30745805
  H     15.76863911     13.21927186    -12.75884397
  O     12.43049605      6.12882458    -12.81769643
  H     14.93849109      7.04186684    -15.35363569
  H     16.92218652      5.30066242    -15.78716347
  O     13.41806844      7.88456634    -14.86871978
  H     18.94556040      8.19420042    -14.23721095
  H     17.48123108      4.26152231    -16.78180564
  O     13.80659246     10.29857907    -13.33904048
  H     19.99276091      7.04491872    -14.13966517
  H     15.89443226      8.04383387    -11.88853618
  O     12.42976394     10.61267347    -10.91774136
  H     20.28288496      9.53611023    -13.29742344
  H     15.09489312      9.13027304    -12.70961101
  O     19.41468001      4.18302966    -11.97272289
  H     21.28393232     10.70578979    -13.17520521
  H     17.43516529     11.81044544    -14.04265161
  O     16.22136404      6.61725774    -10.76211402
  H     19.16497348      5.95151284    -11.40192821
  H     18.88500369     11.26752993    -13.95171901
  O     20.03135819      5.31147015    -14.56489038
  H     19.17269070      7.28807214    -12.16397563
  H     17.77466066     10.55163398    -10.55466354
  O     15.89587243     12.29056731    -12.93913523
  H     11.60435756      5.65307888    -12.82797265
  H     16.58360255     10.09979504    -11.41191950
  O     17.56963918      4.58292587    -15.88786179
  H     12.41373286      6.70760279    -12.03450838
  H     14.16774464      5.50056018    -12.88502967
  O     15.97354121      8.81375384    -12.46206006
  H     13.46107205      8.77058780    -14.48883522
  H     15.41383806      5.82639492    -13.74500370
  O     18.15754175     11.43924433    -14.56277822
  H     12.96792910      7.33331304    -14.21683337
  H     19.78213675      9.97101231    -11.22259677
  O     16.89444342     10.82444217    -10.84608016
  H     14.44433995     11.02324866    -13.36481988
  H     19.26024168      8.69134223    -10.53929066
  O     15.12133340      5.36330877    -12.94740782
  H     13.24254804     10.45461542    -12.56920014
  H     15.43220113     10.66556870     -9.72207411
  O     19.33632618      9.64614798    -10.42886172
  H     13.19152394     10.63483328    -10.30904022
  H     14.65582953      9.52591132     -9.02479640
  O     14.58529376     10.44492142     -9.31165222
  H     11.77376458     11.20731023    -10.56498213
  H     16.36212823      3.97188815    -13.07021462
  O     17.15493206      3.46831392    -13.29706377
  H     19.81948442      3.42498145    -11.55972814
  H     17.31762750      3.66939870    -14.22761375
          69
 Energy    -247.99491686589704     
  O     17.21450349      7.74870616    -13.95474877
  H     17.53727689      8.09852537    -14.79458810
  H     11.12697147     11.64953367    -15.40639237
  O     12.50369483     11.60954533    -10.91121110
  H     17.79292321      8.09550851    -13.25916340
  H     18.01439816      7.96564821     -7.59162846
  O     18.10806187      9.15677565    -16.20707194
  H     11.95282735     12.08618361    -10.29640851
  H     17.50178811      8.57504979     -8.91408971
  O     11.08847911      9.84915608    -12.38503869
  H     11.92745812     10.97802566    -11.38141514
  H     13.80417599     10.33805414    -10.62860287
  O     15.44031698      5.84113139    -13.04810107
  H     18.50582259      8.98829390    -17.05664563
  H     14.65757282      9.55847010    -11.66462514
  O     18.71738547      8.91340884    -11.96564491
  H     17.31863247      9.70419600    -16.36772271
  H     18.58137320      5.81676528    -10.94694284
  O     17.06149414      9.98452237     -9.93119016
  H     11.17597090     10.15590859    -13.29617178
  H     18.74640068      6.86015771     -9.82634163
  O     11.61755274      7.04603989    -12.29106961
  H     11.23241845      8.89534320    -12.38851770
  H     15.83841832     11.05093424    -13.46784339
  O     15.89045781     10.71192330    -16.37442407
  H     14.94871936      6.28816706    -12.34407174
  H     17.20745551     11.68613011    -13.79571273
  O     13.18066581      6.72203150    -14.66287368
  H     16.08012936      6.47155657    -13.41336994
  H     17.37010053      3.60549785    -11.64053566
  O     13.62905901      9.23411410    -15.65676684
  H     19.03421684      8.08659359    -11.57141302
  H     16.60574558      4.88563572    -12.04013803
  O     11.68761801     11.08564299    -14.88000215
  H     18.15068666      9.32525210    -11.30093439
  H     15.86148442      8.84212451    -13.52600123
  O     17.70548105      7.73792952     -8.46519941
  H     17.22512450     10.90870280    -10.16418862
  H     14.50821355      9.36116350    -14.07057814
  O     14.45394856      9.63123241    -10.71682808
  H     16.12471099      9.82660559    -10.11941255
  H     18.74611742     10.35315689    -14.80099280
  O     19.13675808      6.54903267    -10.65331566
  H     12.40724208      6.94868260    -11.73136894
  H     18.92965784     10.27471096    -13.27483884
  O     16.27819091     11.90289322    -13.61588987
  H     10.97891058      6.41100181    -11.97536602
  H     14.49206284      6.46050123    -10.22662920
  O     17.22911540      4.51619583    -11.39376006
  H     15.92791736     11.32755798    -15.63664356
  H     14.08960214      7.87638252    -10.72650203
  O     15.11553457      9.42171484    -13.32245370
  H     15.08300261     10.19102804    -16.25158444
  H     18.07081269     13.07013645    -11.17785133
  O     18.79339595     10.89500283    -14.00412232
  H     12.54625744      6.79495812    -13.93881024
  H     16.89471573     12.39790968    -11.89119438
  O     13.95126535      6.93085061    -10.87751820
  H     13.95201085      6.28457953    -14.28410532
  H     14.44114007     12.54067532    -13.49992568
  O     17.31303457     12.50836339    -11.02567212
  H     13.40826065      8.31453323    -15.44336774
  H     13.25309097     12.35035822    -12.52332185
  O     13.47937061     12.54959509    -13.44121482
  H     12.85417512      9.78658106    -15.49353151
  H     16.40068158      6.40836469     -8.88823001
  O     15.79196700      5.74859873     -9.24324424
  H     12.32767017     11.66578637    -14.42896003
  H     16.31067125      5.21320497     -9.85682581
          69
 Energy    -247.99486546960205     
  O     17.01958913      9.72745637    -10.87231713
  H     16.48487339     10.53029038    -10.87168633
  H     13.60232087      8.16531164     -7.13538580
  O     14.09417623      5.05213177     -8.17850302
  H     16.66095603      9.15494561    -10.17349658
  H     20.54552575      4.08544088    -11.70207006
  O     15.11570066     11.75112562    -10.64092877
  H     13.52181860      5.09577747     -8.95304378
  H     19.67074113      5.13307882    -10.97840503
  O     12.89915357      5.30779138    -10.78294494
  H     14.98949855      5.00287799     -8.54225423
  H     17.39598915      5.52340258     -9.62282237
  O     15.87395678      8.22342569    -12.91935988
  H     14.94666680     12.67546391    -10.80052642
  H     16.12097968      5.38578403    -10.52171878
  O     19.51237431      8.73243440    -10.40537547
  H     15.06417734     11.61781089     -9.67738671
  H     20.00966423      7.98208137    -12.06149788
  O     19.83952461      9.66452232     -7.71893402
  H     13.70967283      5.37246264    -11.31448416
  H     20.15761881      6.53560303    -12.58431648
  O     19.13821265      6.08142816     -9.57031900
  H     12.29905274      4.75055837    -11.27278863
  H     17.13577601      9.46297116     -6.26088193
  O     15.08410109     11.19326018     -7.98796613
  H     16.33067162      8.74773225    -12.24634737
  H     17.35228326     10.83155136     -5.57699371
  O     13.59659692      9.61598576    -11.91252322
  H     16.53212538      8.00503585    -13.59087470
  H     18.26155052      7.63901199    -15.47860407
  O     12.33872518      8.02130533    -10.02987788
  H     18.67486079      9.15369255    -10.65378706
  H     18.75429083      7.49131572    -14.01916096
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  H     15.10694399      8.26776185     -8.72842211
  O     19.90466307      4.77604962    -11.85166235
  H     19.02088304      9.99922662     -7.32169703
  H     16.03767475      7.10546964     -9.24380720
  O     16.44214615      5.37571603     -9.60894336
  H     20.54568332     10.21952350     -7.39430061
  H     13.51766050      6.29109393     -5.32912470
  O     20.06647774      7.45384776    -12.86824576
  H     19.21774173      6.97495805     -9.93307263
  H     14.03881227      6.04217002     -6.76395707
  O     17.44832111     10.37220195     -6.40872667
  H     19.25148448      6.17846314     -8.61434640
  H     15.98274640      5.16129537    -12.62959830
  O     17.97854108      7.39786886    -14.60067719
  H     15.89942618     10.97316001     -7.52770832
  H     15.38667392      6.55963240    -12.35674224
  O     16.00615454      8.04057614     -9.00268497
  H     14.48423231     10.44398101     -7.85182364
  H     18.41403982      7.03441589     -6.58889655
  O     14.05652808      6.67001474     -6.01789373
  H     14.03003476     10.38352704    -11.52182292
  H     19.62925899      7.79234263     -7.13473911
  O     15.29769047      5.62414800    -12.12517086
  H     14.28069792      9.14863624    -12.40804379
  H     16.53726358      7.85083501     -7.30398576
  O     19.29919493      6.90424431     -6.95291778
  H     12.44803699      7.11015336    -10.32134215
  H     15.83136932      7.35311793     -6.03233156
  O     16.65026155      7.75517121     -6.34434419
  H     12.69434980      8.58354339    -10.73507407
  H     17.66308816      5.58785671    -13.98703089
  O     17.52019129      4.77834571    -13.48010200
  H     13.03551834      8.56433375     -8.54463074
  H     18.31590282      4.66295551    -12.94693485
          69
 Energy    -247.99479810415923     
  O     -1.09014187      4.25505785      2.75391706
  H     -0.62626939      3.54141533      3.21062223
  H     -0.36569576      8.37107864      0.28424666
  O     -2.47924681      5.99987086     -0.59498495
  H     -1.81214169      3.88766878      2.22708685
  H      1.60916121      1.42069178      1.01115390
  O      4.10064002      6.25795413      0.47976443
  H     -2.49292929      6.78192079     -0.02744372
  H      0.10963881      1.19145430      0.80065386
  O      2.02420141      6.81474790      2.11195776
  H     -1.60141621      5.97441981     -0.99464068
  H     -0.04851024      4.34414853     -2.42427275
  O      0.21646311      5.91128067     -1.51046868
  H      4.43625764      5.45209075      0.88870512
  H     -0.90207815      3.32367016     -3.23861418
  O      2.73576293      2.64634539      0.14951622
  H      3.84961525      6.02508942     -0.42520423
  H     -3.03227400      1.64435231     -2.90246852
  O      0.87068293      4.60886405      0.77502989
  H      2.20065939      6.16106625      2.80865081
  H     -2.47243498      1.13155096     -1.56687428
  O     -2.12478794      8.20531372      1.08148486
  H      2.80941236      6.80405811      1.53986128
  H      1.97314670      3.86996130      3.74630856
  O     -1.07144960      1.85319187     -0.49769356
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  H      3.33811450      4.27079755      3.14561804
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  H     -2.79748845      3.24670644     -4.95171770
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  H     -3.12593201      3.73972504     -3.52162248
  O     -0.11015684      3.41685065     -2.69301369
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  H      0.73590391      1.83809031      2.98958959
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  H     -2.62729075      8.94098981      1.41997914
  H      0.67458268      1.76851627      4.53454724
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  H     -1.67049461      7.79705283      1.84195896
  H      2.82328597      2.19560826     -3.40136207
  O     -4.13344205      4.64744977     -2.43327106
  H     -0.66007117      2.37103450     -1.20114149
  H      1.59928914      2.89047363     -2.76049488
  O     -2.54064871      3.15617592     -4.03796888
  H     -1.67228740      2.45095466     -0.03036389
  H      5.41336855      3.21726568      1.89440899
  O      0.67717356      2.37583881      3.79947433
  H      0.24913911      7.06720766      2.82448610
  H      4.02996256      3.25794637      1.20325334
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  H     -0.89089571      6.05389644      3.04443920
  H     -5.88226162      2.10386908     -0.54655823
  O      4.61593012      3.73448835      1.81527847
  H     -2.76221092      4.44979622      0.32880646
  H     -4.49329441      1.94130293     -1.21248135
  O     -5.05345778      2.54959708     -0.69753928
  H     -3.70833174      3.22384682      0.41880998
  H      3.05942622      4.58741707     -2.31862282
  O      3.08544511      5.50662293     -2.03012409
  H      1.06026813      7.93198061      0.66330950
  H      2.16723429      5.79663846     -2.02662497
          69
 Energy    -247.99428348753725     
  O     -1.10274505      3.70663942      2.78307043
  H     -0.66621116      2.88641873      3.04463390
  H     -0.54717869      8.35096820      0.86938934
  O     -2.77033999      6.08801747     -0.13200244
  H     -1.80300384      3.49515269      2.15002803
  H      1.84653398      1.75014732      0.39994833
  O      4.35937677      5.73095052      0.64204810
  H     -1.92349939      6.12067434     -0.59940375
  H      0.37289635      1.42376977      0.11043979
  O      2.16907311      6.99836989      1.89623301
  H     -2.69785889      6.72907768      0.58573791
  H     -1.05300133      4.00371502     -3.40779418
  O     -0.19884196      6.14939259     -1.18395359
  H      4.93057262      6.05119991     -0.05276722
  H     -0.21942337      4.86662255     -2.41073631
  O      2.89970373      3.37333554     -0.04956331
  H      3.91374022      4.94639896      0.28687291
  H     -3.05204058      2.17795568     -3.23954943
  O      0.77499530      4.76047187      0.97443567
  H      2.15247278      6.81543505      2.84528834
  H     -2.37581283      1.48116166     -2.04803978
  O     -2.11778139      7.89593589      1.92052591
  H      3.00586134      6.67235737      1.53985744
  H      3.10257650      3.43208528      3.61010558
  O     -0.96860721      2.13007146     -0.92786121
  H      0.12486745      5.57252363     -0.47449251
  H      1.71793031      2.84432826      3.96294024
  O     -0.93301791      6.29949351      3.75243703
  H     -0.01468211      7.04844524     -0.87626233
  H     -4.74193463      4.20088560     -1.71139683
  O     -2.86849899      3.43924876      0.68992057
  H      2.10496570      3.80249321      0.30845901
  H     -3.91094119      5.48263891     -1.49302799
  O      0.25002020      8.38975777      0.32659971
  H      2.78440318      3.27397751     -1.00582173
  H     -3.34324879      4.33760110     -3.45390269
  O      1.10913308      1.21073913      0.70192582
  H      0.15601785      4.38988285      1.61419245
  H     -3.08102544      4.14415432     -4.96605405
  O     -0.23514561      4.02744872     -2.89637724
  H      1.17555855      5.54785147      1.36908893
  H      0.43090244      0.64089711      3.74781993
  O     -3.18048809      1.48126435     -2.58378438
  H     -1.69708320      7.34794109      2.60742592
  H      0.74263755      1.32759065      2.39654664
  O      2.32041942      3.56814324      4.16324211
  H     -2.62499727      8.56283459      2.37570269
  H      1.46933047      3.44355928     -2.89008522
  O     -4.35412777      4.95560380     -2.17115675
  H     -0.66057210      2.77251498     -1.58085828
  H      2.55859386      2.49200884     -3.41191096
  O     -2.76737974      3.89250032     -4.10154060
  H     -1.58446429      2.59418867     -0.34379898
  H      1.98051058      5.22716987      4.44712685
  O      0.50543153      1.49282917      3.32667114
  H     -1.07694883      5.37074111      3.52123735
  H      2.16689913      6.43509429      5.39583911
  O      2.36886174      3.12146470     -2.72041428
  H     -0.03820218      6.34478529      4.10672024
  H      4.76195741      4.20041682      2.12929834
  O      1.81771191      6.18352372      4.54537399
  H     -3.67398063      3.06295529      0.31571787
  H      3.95277588      3.06035949      1.54563296
  O      4.42624658      3.32513969      2.34580211
  H     -2.85834043      4.37677883      0.44531277
  H     -5.80498610      1.95149834     -0.76006927
  O     -5.02107086      2.48625125     -0.84792594
  H      0.96429248      8.05829257      0.88788721
  H     -4.43825132      2.03340804     -1.48378675
          69
 Energy    -247.99425293680576     
  O     -5.98267638      2.12600716      1.12628797
  H     -6.22364807      2.23717841      2.05334390
  H      0.56297076      3.21555813      2.18229444
  O     -3.99285990      1.56385046     -1.79092237
  H     -5.36069786      2.83382754      0.91125858
  H     -1.88365414      3.82465286     -1.61251893
  O     -6.29609859      2.39733898      3.90958244
  H     -3.36591358      2.00432590     -2.37631353
  H     -1.11138004      4.27925770     -0.35717311
  O     -0.99965075     -1.36399409      2.85509661
  H     -3.55803057      1.50832289     -0.92833156
  H     -0.81656762      1.23621577      0.10561322
  O     -2.83189158     -1.54272743      0.76386057
  H     -5.55899019      3.02867175      3.81504554
  H      0.56338506      0.71231164      0.60070356
  O     -4.51960108     -1.06424412     -2.59137971
  H     -6.94040597      2.80686639      4.47991385
  H      1.42484168      4.15643603     -0.07829071
  O     -5.45977303     -0.64672121      1.01422246
  H     -1.61513515     -1.55499559      2.13408355
  H      0.53066241      2.90364236      0.07655922
  O     -2.14224204     -2.08393347     -1.92773069
  H     -1.54067894     -1.03373188      3.58273823
  H     -7.92409483     -1.43878082     -1.50730035
  O      1.19569651      0.03263127      2.18153686
  H     -3.78375976     -1.37251416      0.80932077
  H     -7.07177772     -0.14970610     -1.41431290
  O     -0.65563837      0.29732292     -2.62344575
  H     -2.60665507     -1.80258922     -0.13834593
  H     -1.28293646      2.39305261      3.23560892
  O     -2.69546251     -0.16894097      4.77398838
  H     -4.32953004     -0.13948304     -2.37542521
  H     -2.33168881      1.38910246      3.81739326
  O      0.45426448      2.69269115      2.98583062
  H     -5.39761530     -1.24029392     -2.23614715
  H     -5.36868030     -0.52765810      2.91423354
  O     -1.97255398      4.31925717     -0.78900218
  H     -5.52545069      0.31972005      1.00799545
  H     -5.63900260      0.62168586      3.91455671
  O      0.12565812      1.18332641     -0.11992786
  H     -6.04870807     -0.95683608      0.31640126
  H     -2.51600439      1.59725054      1.50406201
  O      0.62297692      3.83847541      0.32995941
  H     -1.96638155     -2.92615416     -2.33883964
  H     -2.63366521      0.26083000      0.71438582
  O     -7.05542194     -1.11600484     -1.28536419
  H     -3.01882147     -1.79259307     -2.24145213
  H     -4.83323059      5.08522461      0.10475227
  O     -2.22029231      2.14943490      3.23440247
  H      1.96891635     -0.48157540      2.39553066
  H     -3.49712275      4.32394929      0.10011145
  O     -5.21911758     -0.24347778      3.82437195
  H      0.42302261     -0.49737757      2.45131774
  H     -6.76635902      1.84913865     -0.54040104
  O     -2.54892748      1.21942963      0.61506031
  H     -1.12500581     -0.52593957     -2.44746916
  H     -5.86909857      1.67136100     -1.75381943
  O     -4.35760340      4.38601212      0.54761033
  H     -0.22799098      0.54007422     -1.78944071
  H     -3.46547423      3.42897560      3.41509023
  O     -6.78982112      1.58132491     -1.46964241
  H     -3.61335350     -0.26035732      4.46049072
  H     -4.24870325      4.33850044      2.45904528
  O     -4.22105415      4.03480366      3.37425830
  H     -2.71463248     -0.28097378      5.72045783
  H     -1.38358575      1.82905659     -3.03952602
  O     -1.82850438      2.68666529     -3.16486195
  H      0.80918522      1.81644752      2.78728631
  H     -1.68765879      2.93850894     -4.07347192
          69
 Energy    -247.99420826782367     
  O     11.74540860      9.46144652    -11.81850436
  H     11.87012312      8.78535719    -11.14345037
  H     15.85635601      7.07219245    -15.22725443
  O     14.59505695      4.42852828    -15.58634940
  H     12.46238995     10.09764511    -11.70131304
  H     14.47090753      4.08484036    -12.33516020
  O     15.06797432     11.59505422    -14.13468385
  H     15.32595053      5.06240148    -15.66867502
  H     14.86507968      3.73890636    -13.78346329
  O     14.16514776      8.79086188     -8.50578021
  H     14.59650774      3.90539829    -16.38435118
  H     12.90645013      7.92105242     -9.32556394
  O     17.46618552     10.25297806     -9.37540278
  H     14.35198038     11.28919752    -14.70467603
  H     11.49610326      7.30091578     -9.20567204
  O     11.34135568      8.69458896    -14.41182345
  H     14.71840246     11.56170508    -13.23386870
  H     12.77719299     10.49867102    -16.55989995
  O     17.64114523     10.90799307    -14.62537100
  H     15.02445670      8.36520543     -8.40023279
  H     12.39727630      9.76900912    -15.25206672
  O     14.09422490     11.02355352    -11.56556203
  H     14.35072674      9.73059793     -8.61763569
  H     13.23485214      5.54024763    -14.74392518
  O     15.94092937      6.37750901    -10.83374471
  H     17.84571135     10.18378302    -10.26103642
  H     13.45731237      6.99504759    -14.30611996
  O     18.55719920      8.43351941    -15.65045460
  H     17.34526532      9.34763109     -9.06193570
  H     14.25640478      8.96888681    -15.04989779
  O     17.30058834      5.31375250    -13.00212332
  H     11.58290816      7.76255841    -14.40502440
  H     15.03008633      8.53098658    -13.75877354
  O     16.53591252      6.43336063    -15.50154219
  H     11.39066903      8.98798897    -13.48708666
  H     12.91460724      6.13771515    -10.93694086
  O     15.12637671      3.61231801    -12.86274134
  H     16.70421611     11.12071662    -14.46448998
  H     13.12837749      5.81997782    -12.43984534
  O     12.21670390      7.43940158     -9.81571957
  H     18.05581713     11.72956697    -14.87909672
  H     17.20131371      6.99847467     -7.96073999
  O     13.10564412     10.27273848    -15.69429771
  H     14.58745145     10.19921813    -11.70502931
  H     16.51904094      7.10113996     -9.34407762
  O     12.85371405      6.24276539    -14.20541319
  H     14.35180125     11.33741028    -10.69090769
  H     15.16329336     12.18721204     -8.35449668
  O     14.73381733      8.24205933    -14.63417657
  H     15.04817829      6.04435098    -11.00377121
  H     15.97471368     11.10877269     -9.11266054
  O     13.40592232      5.57146554    -11.54659930
  H     16.51048097      6.02604297    -11.53148984
  H     19.10600712      7.67442427    -13.93895885
  O     16.76283157      7.60703858     -8.54985074
  H     19.21777657      8.65780965    -16.30241683
  H     18.69739598      6.61539734    -12.89799503
  O     15.07938981     11.46878510     -8.97507833
  H     18.18024965      9.27152333    -15.33975138
  H     16.53051001      9.17805992    -12.06855105
  O     19.20284451      7.43035460    -13.01041090
  H     17.07330687      5.70854248    -13.85445680
  H     15.64723469      7.98750450    -11.62029782
  O     15.63528452      8.81708303    -12.11190929
  H     16.68195634      4.57633001    -12.88913294
  H     18.13605013     10.30176169    -12.86865759
  O     18.23428351      9.80662668    -12.04757968
  H     17.30074619      6.97396964    -15.72551992
  H     18.66775528      8.96820996    -12.27328197
          69
 Energy    -247.99405389863136     
  O     13.48032516     12.05609162    -16.16647570
  H     13.75471676     11.31699341    -16.73433709
  H     12.74895065      7.33526830    -18.62276572
  O     11.59223903      7.67892048    -13.44978472
  H     14.28181053     12.54939581    -15.92518582
  H     13.34326350     13.05784389    -17.88845793
  O     13.86964310     10.87769963    -13.62070907
  H     11.16293610      7.64492850    -14.31514031
  H     12.75882464     12.94566901    -19.31136860
  O     10.92825239     10.94345744    -15.71694860
  H     11.37617906      8.55373560    -13.10619161
  H     17.27490956      9.11517284    -18.91096044
  O     10.68592435      8.15790380    -16.09780225
  H     13.73942831     11.29596712    -14.48225454
  H     17.39351897      7.84119884    -19.76152832
  O     16.96364919      9.87395092    -17.29387305
  H     14.76108356     11.11025122    -13.33205411
  H     13.96079006     10.01903578    -18.63538391
  O     13.31545318      7.55582291    -16.76626277
  H     11.75063207     11.41822409    -15.89971740
  H     13.91177386      9.11077754    -17.37249278
  O     15.86916913     13.08786752    -15.42611212
  H     10.85642627     10.88408268    -14.75595887
  H     10.89387022     11.60149428    -19.62180435
  O     13.37080475      9.91042775    -20.35704986
  H     10.77008154      9.11527671    -15.98382935
  H     10.92214657     12.41858508    -20.93642536
  O     14.23650157      8.10748535    -14.19288994
  H     10.20131765      8.01896132    -16.92028205
  H     16.10062486      8.52943957    -14.46549565
  O     15.89194429     10.51027208    -21.40608730
  H     17.30953344     10.77603233    -17.31823580
  H     16.97681389      9.24560426    -15.53129625
  O     12.25144215      7.50229778    -19.43263341
  H     16.00646655      9.93484371    -17.43667320
  H     15.99925683     12.06173174    -20.27031245
  O     13.48611782     13.32419808    -18.80240781
  H     13.77683005      7.60441842    -15.91843052
  H     15.16511218     13.01688778    -19.37400545
  O     17.29739225      8.78858276    -19.82410754
  H     12.38047661      7.69711394    -16.55473346
  H      9.07188071      7.46863155    -19.17970542
  O     14.23752345      9.95601657    -17.71255921
  H     16.21284879     12.61799432    -14.65650049
  H     10.57849022      7.80363320    -19.04799256
  O     11.48109782     11.97735546    -20.30266871
  H     16.53728972     12.99886050    -16.11774383
  H     17.14217416     12.68849895    -18.29688721
  O     16.88882492      9.07410318    -14.58405772
  H     14.17718555     10.13514580    -20.83820429
  H     18.53074018     13.01694122    -17.69300238
  O     16.06863714     12.76055449    -19.61231488
  H     12.74250135     10.63806427    -20.45422983
  H     12.19584548     10.67254593    -13.03321146
  O      9.68911286      8.03233947    -18.72199605
  H     13.40561486      7.75382613    -13.84293379
  H     10.98426873     10.99443710    -12.12787781
  O     17.70891908     12.57024744    -17.51108587
  H     14.17012964      9.05948808    -14.03956308
  H     17.19690397     11.46027127    -12.50286465
  O     11.24147504     10.52495491    -12.91752596
  H     16.27872480     10.54432025    -22.27723308
  H     16.78699930     10.55755784    -13.69309815
  O     16.59058040     11.39553514    -13.23505565
  H     16.42187334      9.87979374    -20.88732409
  H     10.15780618     10.95992097    -17.45937187
  O      9.95440002     10.84813509    -18.39585305
  H     12.66005182      8.27329855    -19.85016073
  H      9.77840415      9.90833551    -18.53090515
          69
 Energy    -247.99403291339951     
  O     -3.89784682     -1.65234534      0.16665004
  H     -4.29338426     -1.15921940     -0.54773560
  H      3.97543724     -1.02798064      3.14653009
  O     -3.04371547     -1.41705210      7.26713581
  H     -3.02559595     -1.94487170     -0.14689897
  H     -0.65061899     -2.26106433      2.58375313
  O      0.97965412      0.39165883      2.11426169
  H     -3.23448537     -1.02568566      8.11566294
  H      0.41428008     -3.13695444      1.84091552
  O     -3.77148613     -1.41064935      2.97624195
  H     -3.61957470     -0.97671769      6.61886479
  H     -1.27219804     -4.50242152      2.74772491
  O      2.01004261     -2.51172758      5.07807662
  H      0.21851306      0.09774563      2.63194933
  H     -1.43228758     -6.02160426      2.54137149
  O     -3.56127165     -4.13248178      6.40005551
  H      1.73489831     -0.11843170      2.43062584
  H      1.88889117     -2.81424563      0.25706177
  O     -0.64762571     -2.08698264      5.95462912
  H     -3.86486715     -1.37461198      2.01723635
  H      2.53709022     -2.55113145      1.65497717
  O      1.84866790     -5.34933560      5.00513520
  H     -3.88476784     -2.33868010      3.23596482
  H     -4.09817440     -4.09218962      4.63950524
  O      1.71335734     -5.74274270      2.31598836
  H      1.17224067     -2.24381997      5.47522698
  H     -3.30257703     -4.56348304      3.40899661
  O     -2.28716193     -5.36659549     -0.34499659
  H      2.01583916     -3.47723052      5.08371587
  H      1.63759191     -2.05123187     -2.16434129
  O     -0.61965203     -6.92462997      1.10202712
  H     -3.45223960     -3.25700617      6.78910255
  H      1.16827969     -1.03396805     -1.09387044
  O      3.09971689     -1.33297938      2.92552934
  H     -2.67296578     -4.50782645      6.34840742
  H     -0.93541594     -1.18289778      4.41679256
  O     -0.52114352     -3.06920228      2.07093103
  H     -1.38510568     -1.78545422      6.49888265
  H     -2.04629554     -0.91065220      3.35799635
  O     -1.69557504     -5.29523832      3.11532978
  H     -0.75182778     -3.04542345      5.85900722
  H      0.92694794      1.51726559     -0.82074831
  O      2.09229005     -3.21565116      1.11103513
  H      2.49712628     -5.95797349      5.34920376
  H      0.97311163      0.57444724      0.39575183
  O     -4.08628804     -4.05846335      3.67308782
  H      1.78766166     -5.52054805      4.04834408
  H     -0.59822747     -2.40877193     -0.92613148
  O      1.22095061     -1.98295778     -1.30935479
  H      0.97397184     -6.15969594      1.85762971
  H     -1.17807232     -2.82017998      0.43867902
  O     -1.10282774     -0.80813318      3.54058712
  H      1.94763297     -4.95552773      1.80732235
  H     -5.57040245     -0.06685374      5.28296156
  O      1.01087810      0.60020581     -0.57713135
  H     -3.14106699     -5.18402266      0.07356940
  H     -4.39123918     -0.62340250      4.47213445
  O     -1.41949517     -2.65295553     -0.48670306
  H     -1.94038035     -4.50189233     -0.59218393
  H      0.07266738     -5.10689780      5.64931415
  O     -4.64876114     -0.30421485      5.35149799
  H     -0.71939812     -7.83196426      0.82704312
  H     -1.21067453     -5.07617551      4.81625015
  O     -0.85815224     -4.85813701      5.69274167
  H     -1.19443873     -6.39377322      0.52042927
  H     -4.63289788     -4.36267590      1.84630086
  O     -4.61104072     -4.39283761      0.88168822
  H      2.72932979     -1.73389391      3.73353609
  H     -4.52734108     -3.47500554      0.59864023
          69
 Energy    -247.99391058143712     
  O     12.11011236     10.69235325    -15.83928883
  H     11.73888866     10.34326550    -15.01904553
  H     20.72636568      6.65864722    -13.61882428
  O     16.03432755      6.30671166    -13.83128039
  H     12.74490832     11.37708852    -15.59681208
  H     15.88017124     11.07015221    -17.75856692
  O     17.46490852     10.14789936    -11.97946123
  H     15.17938007      6.23842815    -13.38564279
  H     17.01758197     11.52905428    -16.82516487
  O     18.76849122     10.88607148    -16.45803342
  H     16.64260412      6.65754268    -13.16471995
  H     15.71696989      7.75983319    -14.79277251
  O     12.44542250      6.26823749    -16.47755015
  H     16.68490980     10.40089055    -12.49276781
  H     16.37375077      8.59719144    -15.92648621
  O     14.72046628      9.02802926     -9.47441438
  H     17.32899603     10.45876568    -11.07308125
  H     11.17708211      8.48952173    -13.67670267
  O     13.82759682      6.55212580    -12.16286167
  H     18.97423552     10.57678334    -15.55688443
  H     10.14061975      9.54590513    -13.22662450
  O     15.23746614     10.62399705    -13.53751844
  H     19.52855668     11.37816157    -16.75691314
  H     11.83789170      6.55710053    -14.78550277
  O     17.61024585      8.48049010    -17.29532022
  H     12.86092695      5.59253452    -17.00752510
  H     12.28235719      6.52438214    -13.30008269
  O     15.79576077      6.42366111    -10.10135912
  H     12.79159385      7.11394106    -16.80046371
  H     18.75032915     10.09932440    -13.27697763
  O     18.26879270      6.27323193    -15.61898053
  H     15.04429945      8.12423761     -9.56261551
  H     19.62599468      8.99704656    -13.90737978
  O     19.89161806      7.11889425    -13.61654312
  H     14.16071574      9.18513892    -10.24698816
  H     18.54045577      7.22397293    -12.31483069
  O     16.11262372     11.72935275    -17.09460095
  H     14.36489778      6.33622540    -11.39166121
  H     17.59048747      8.35700310    -11.85064106
  O     15.63560566      8.57550914    -15.30526551
  H     13.67332770      7.50811985    -12.11181376
  H     16.03467664     10.20674536     -9.35667736
  O     11.04955794      9.43939612    -13.49454304
  H     15.39009854      9.92250082    -14.18961723
  H     16.72450832     11.40203226     -8.67466836
  O     11.58359517      6.82749784    -13.89193688
  H     14.90059561     11.38452434    -14.02481703
  H     15.19201040      9.55300004    -19.76088240
  O     19.33239326      9.90728172    -14.02530459
  H     16.96539669      8.73455421    -17.96799556
  H     14.71516572      9.23529554    -18.32387723
  O     17.70951191      7.39507170    -11.85491313
  H     18.11860644      9.27591224    -17.08339788
  H     14.03734344      9.81232699    -12.46163579
  O     16.79713748     10.80807044     -9.41606171
  H     16.15006159      5.77447372     -9.49878941
  H     12.53709026      9.43723835    -12.37518273
  O     15.47982675      9.52376505    -18.85235801
  H     16.53745407      6.72883670    -10.64978675
  H     14.90565149     12.29725341    -15.97472439
  O     13.39202048      9.30802930    -11.94668099
  H     18.07765314      6.93325033    -16.29814926
  H     14.18893704     13.49980873    -15.31555083
  O     14.24760761     12.54834201    -15.30134855
  H     17.43943727      6.10051339    -15.15479641
  H     12.94955648      9.43907747    -16.75255115
  O     13.55288224      8.75762078    -17.08606664
  H     19.37960848      6.77887975    -14.37226632
  H     14.23779579      8.64774878    -16.40843230
          69
 Energy    -247.99385746169793     
  O     16.33434946      9.95752970    -15.12601917
  H     17.26406136      9.70358050    -15.06389632
  H     19.30279549      5.98424332    -15.27333651
  O     14.01798880      6.88763350     -9.81695680
  H     15.82147784      9.16772006    -15.35136976
  H     16.03774713      7.97619319    -11.88379063
  O     15.11145800     12.35598626    -14.71134914
  H     14.19752049      7.80540092     -9.53738266
  H     15.62665305      6.89040455    -10.86713136
  O     14.90113720      7.66114127    -15.61274550
  H     13.96004621      6.36839424     -9.01939284
  H     19.25257728      8.09399251    -15.96964491
  O     18.94427912      9.20764496    -14.59741058
  H     15.54715582     11.52478598    -14.97020669
  H     20.07256979      7.59587949    -17.18034824
  O     19.56974174     11.54073191    -13.22237699
  H     14.90314497     12.82126016    -15.51762899
  H     16.53322460     13.48948761     -9.47413149
  O     18.84568908      7.35789308    -12.53786498
  H     15.44299204      7.27617870    -16.31770275
  H     16.62366450     12.05909848    -10.05464627
  O     12.61984308      6.48631054    -12.20851416
  H     14.91188736      7.01115780    -14.89861992
  H     17.60129091      6.72099164    -17.11135103
  O     12.70183193      8.69461167    -14.10011908
  H     19.24473321     10.04199370    -14.21428518
  H     16.71487030      5.54334446    -16.66895934
  O     13.38554157     11.04296702    -12.85455827
  H     18.88713476      8.56893585    -13.87024699
  H     14.89622554     10.06525905    -12.37045914
  O     13.62501924     11.69698761    -10.15143381
  H     20.25865586     12.19415574    -13.31183987
  H     16.08290766      9.75385331    -13.29613695
  O     19.12241545      5.44457174    -14.49383684
  H     18.73831089     12.03045943    -13.09171168
  H     16.49695153     12.81652264    -13.47172056
  O     16.23007453      7.06872919    -11.59644762
  H     17.99368532      7.18621038    -12.11633069
  H     16.87501573     13.00311176    -11.98405060
  O     19.33259881      7.37642772    -16.61952284
  H     19.02826469      6.60512531    -13.11982105
  H     18.04973172     10.11044490    -10.24054140
  O     16.25263668     12.94626271    -10.20662020
  H     11.74251709      6.17292996    -11.99981291
  H     16.66131272     10.15873008    -10.91358127
  O     16.71383699      6.35135507    -17.19774190
  H     13.05867024      6.66614389    -11.36174729
  H     15.52721781      6.09693093    -12.93032547
  O     15.76143190      9.63701791    -12.39484483
  H     13.34163042      8.39796769    -14.75935367
  H     14.05985041      5.76523873    -13.23531105
  O     17.24510281     12.89181795    -12.86868335
  H     12.62320803      7.97612384    -13.46198870
  H     19.50084410      8.79589075    -11.46131143
  O     17.12972692     10.36590593    -10.09034584
  H     13.02903719     10.27502103    -13.32714312
  H     19.69400419     10.30382544    -11.72225890
  O     14.95296696      5.67571654    -13.58766306
  H     13.84290110     11.59488305    -13.50040845
  H     15.59910891      9.60437839     -9.22331570
  O     19.61466583      9.64769733    -11.01933744
  H     13.38796965     11.54108835    -11.07631287
  H     14.17110392     10.14659571     -9.37600463
  O     14.67275503      9.36748573     -9.09416257
  H     14.40830417     12.25886133    -10.17283467
  H     16.38017897      3.31792935    -15.30894465
  O     16.63206962      4.23558843    -15.24031813
  H     18.32865790      4.93937849    -14.70728398
  H     15.99062454      4.65754579    -14.64552438
          69
 Energy    -247.99337529486695     
  O     -2.29540970     -1.62303893     -0.57068148
  H     -2.89168724     -1.50931134     -1.30693753
  H     -0.14006449     -6.39020220      1.28032577
  O     -3.05812378     -0.72247765      6.85916445
  H     -2.85055054     -1.67896319      0.22527694
  H      1.91978852     -2.47339288      4.60106296
  O     -1.79403418     -0.15577007      3.10368555
  H     -3.79189634     -1.33885393      6.73925712
  H      2.75717329     -3.72804143      4.26141705
  O      1.00396779     -4.15571620      7.07166702
  H     -2.25421134     -1.23599452      6.70314591
  H     -0.09863581     -2.88347900      3.01412528
  O     -5.02423502     -2.63076995      6.07233358
  H     -2.29912218      0.39469197      3.71455335
  H     -0.09608161     -4.43517675      2.78463897
  O     -0.87851001     -2.33285140      6.07769926
  H     -2.41786419     -0.77040470      2.69237297
  H     -3.31576742     -5.12704244      2.12578706
  O     -0.51516030     -5.95719487      5.44953924
  H      1.52269122     -4.25908165      7.86451191
  H     -2.23545784     -4.10449468      2.60506945
  O     -5.23697389     -0.79051001      3.84666109
  H      1.60966985     -3.85283448      6.37067070
  H      4.01242115     -5.17327968      2.56821742
  O     -0.44925992      0.18335940      0.65010689
  H     -5.71933947     -3.10455818      6.52209391
  H      2.92454253     -4.21522784      2.02760037
  O      0.65324800     -6.04851289      2.96421927
  H     -4.33389288     -3.28200478      5.86367703
  H     -3.60052306     -2.71707463      2.06823876
  O     -3.28866169     -6.54112692      1.06177884
  H     -0.28123778     -2.92051712      6.55987479
  H     -4.35533635     -1.40509487      2.40530563
  O     -0.62652579     -6.36413339      0.44517234
  H     -0.35591332     -1.93148155      5.37516350
  H      2.35963451     -2.20581725      0.98169341
  O      2.43369664     -3.18726999      4.99384171
  H      0.00647913     -5.45231498      6.08550106
  H      1.57982311     -3.33458571      0.28378830
  O     -0.55867570     -3.60863852      2.58198123
  H     -1.40000156     -5.57592041      5.47486596
  H     -0.26803518     -0.86535999      3.61264025
  O     -3.17571657     -4.33691356      2.66662498
  H     -5.25968917     -1.43751405      4.56282708
  H      1.18622810     -1.00126657      3.11071346
  O      3.17459502     -4.77362070      2.78623413
  H     -4.76500381     -0.02731247      4.20068510
  H      2.61748231      0.28482106      1.41694101
  O     -3.68779339     -1.78600708      1.81615272
  H     -0.94143309      0.27123465      1.47752566
  H      1.17032821     -0.19259418      1.13755221
  O      2.39258398     -3.14672349      0.77163281
  H     -0.99710036     -0.37787800      0.08857402
  H     -0.35310203     -3.56536751      0.81107877
  O      0.57549071     -1.31297251      3.79260826
  H      1.57574873     -5.77016651      3.00883976
  H     -0.90384297     -2.98156229     -0.49366638
  O      2.01310603     -0.43828266      1.56181098
  H      0.30479437     -6.14580248      3.86414740
  H     -3.55296971      2.02615884      5.32306702
  O     -0.23197408     -3.58063260     -0.15203406
  H     -2.35656644     -6.55119656      0.78411411
  H     -3.26700617      0.55197397      5.70540077
  O     -3.41276912      1.15806855      4.95604155
  H     -3.61506333     -7.42546706      0.92179991
  H     -2.19258421     -3.57132276      5.52669339
  O     -2.88692485     -4.23183057      5.39465878
  H     -0.45224701     -5.49845472      0.05560208
  H     -3.04642714     -4.31099322      4.44110268
          69
 Energy    -247.99332085987112     
  O     -7.78349865     -2.35781830      5.86768871
  H     -8.14446000     -1.62007674      6.37401800
  H     -3.34432098      1.00921307      0.95062963
  O    -10.98575702     -1.57956622      2.91844332
  H     -6.82863892     -2.23285492      5.81876975
  H     -7.45799119     -0.51584390      2.95842007
  O     -9.02098056     -3.50660673      3.75479757
  H    -10.41413645     -2.31055177      3.17930939
  H     -6.94314792      0.44743879      4.07830708
  O     -6.23428543      0.63058606     -0.25804985
  H    -10.83287295     -0.89065884      3.57993438
  H     -4.76910467     -1.96804286      4.57414956
  O     -5.64018059      0.73964313      5.40375951
  H     -8.61534574     -3.11472962      4.54973350
  H     -4.27508146     -2.47139491      5.95331321
  O     -4.34222020      4.87918164      0.92818286
  H     -9.18648273     -4.42376478      3.95511356
  H     -1.47978276      3.00430747      1.87499903
  O    -10.56812050      2.53744824      1.12874145
  H     -6.82558217     -0.10924646     -0.44051577
  H     -2.90723295      2.70632344      2.37480512
  O     -8.99936251     -0.14781035      7.23025026
  H     -6.77628701      1.28093598      0.20981655
  H     -8.06160991      5.13103821      5.14918833
  O     -4.60087360     -1.87127197      2.86848487
  H     -5.02140981      1.20576727      4.82527498
  H     -7.37289934      4.19488390      4.13738890
  O    -10.06993786      0.39296517      4.67970079
  H     -5.30924099     -0.15666449      5.54071055
  H    -10.42868571      2.11653512      4.18167929
  O     -8.16775341     -1.45826280     -0.44560803
  H     -3.60259325      4.26584564      1.04901581
  H     -9.66236141      3.45594189      4.14447241
  O     -4.00757867      0.39298964      1.26741060
  H     -4.45341540      4.96950716     -0.01621524
  H     -7.87657475     -2.68730696      2.57242214
  O     -7.60261649      0.34092490      3.38230033
  H    -11.20836112      3.10653706      0.71103967
  H     -7.56519139     -1.98870986      1.20373731
  O     -4.95201175     -1.94932687      5.53201986
  H    -10.59611477      2.73539205      2.08260410
  H    -10.64092275     -0.75744329      1.36052710
  O     -2.38773519      2.94008563      1.58775598
  H     -8.51867944      0.69397963      7.12967032
  H    -10.49776129      0.65555141      0.73616798
  O     -8.04156262      4.22757288      4.84038093
  H     -9.37652323     -0.14622570      8.10573989
  H     -7.80923830      2.84534014      6.16434427
  O    -10.43131686      2.99961625      3.78488454
  H     -4.26234480     -1.16466219      2.30632352
  H     -6.82697370      1.67593020      6.36682363
  O     -7.24461559     -2.12649169      2.10430497
  H     -5.49015531     -2.06594402      2.53741990
  H     -4.34741985      1.42760269      2.74196916
  O    -10.33973864     -0.27956619      0.57269677
  H     -9.22420891      0.36490362      4.20585329
  H     -4.97526607      2.76011379      3.26655186
  O     -7.60129269      2.11237100      6.75371654
  H     -9.86800934      0.18054385      5.59782088
  H     -8.73385538      2.39743391      1.19436645
  O     -4.28532340      2.10228948      3.43608128
  H     -8.97219385     -1.00863642     -0.12397244
  H     -7.78018195      1.55702347      2.09285677
  O     -7.80536425      2.23446476      1.39816289
  H     -8.42675954     -1.97793541     -1.20111840
  H     -6.81034501      3.42615863      2.21042455
  O     -6.23722189      3.99025423      2.75443652
  H     -4.77000838      0.45222661      0.66696388
  H     -5.63496418      4.44548492      2.15084107
          69
 Energy    -247.99328721418581     
  O     -1.68000973     -7.18818432      2.65168872
  H     -1.41591738     -6.55770783      1.96510464
  H      1.38281360     -3.51974124      0.93460912
  O      0.19031324     -5.19858593     -1.78656954
  H     -2.00816330     -7.96923387      2.18976505
  H     -0.27105782     -8.51999904     -1.08974108
  O     -1.07810995     -0.92059620      2.49072960
  H      1.14420712     -5.06724391     -1.70308594
  H      0.61159126     -8.27559679      0.15414755
  O      3.67879145     -7.22608842     -1.14690512
  H     -0.13778080     -4.47808278     -2.33892131
  H     -0.54753415     -2.75044822     -4.29676946
  O      1.60927537     -4.56319516      3.95076742
  H     -1.11410121     -0.07438939      2.92669781
  H      0.31609468     -2.55488517     -3.02533488
  O      1.73567561     -2.11565176     -2.11632117
  H     -1.94816290     -1.06268799      2.07260565
  H     -2.67817972     -3.35722105     -1.01035972
  O     -0.81582848     -3.63397562      3.14495066
  H      4.33614696     -7.90972533     -1.04708401
  H     -1.75065259     -2.58418024     -1.99459534
  O      0.26524213     -2.14324751      0.31677459
  H      3.08156271     -7.31707412     -0.38689445
  H     -3.64817289     -5.73611080     -0.63287049
  O     -2.40900505     -9.30598794      0.97603752
  H      0.71539203     -4.21598077      3.78484556
  H     -4.17231345     -4.59252957      0.32196572
  O     -3.35710373     -1.54298396      1.21150320
  H      1.91793958     -4.16295218      4.75951320
  H      2.79138271     -4.39823326     -0.48358394
  O     -4.87907102     -3.89709517      1.90504073
  H      2.30757226     -2.88818482     -2.01020082
  H      3.32059665     -5.46784024     -1.47187177
  O      2.02326426     -4.20913689      1.15971842
  H      1.35197772     -1.95116053     -1.24404431
  H     -2.81946292     -5.92359001      3.44483404
  O     -0.03246927     -8.88479481     -0.22859199
  H     -0.88769235     -4.08059484      2.28710485
  H     -2.42302766     -4.47215243      3.70406636
  O     -0.51460882     -2.93760929     -3.36305585
  H     -0.90721144     -2.68551650      2.99238088
  H     -0.73494529     -7.73888209     -3.45946715
  O     -2.16002415     -2.54542581     -1.12280455
  H     -0.01549562     -1.57797991      1.04549778
  H     -0.52926121     -6.72144405     -2.31323514
  O     -3.58248356     -4.79366620     -0.41533391
  H     -0.54717540     -2.38494162     -0.15014545
  H      1.63335329     -7.33185522      1.83553313
  O      2.91190315     -4.59220523     -1.42561804
  H     -1.52323384     -9.23724142      0.57286861
  H      1.81086544     -6.11263303      0.91764354
  O     -3.18919318     -5.05958244      3.67193757
  H     -2.57799950    -10.23362328      1.11470856
  H      1.23475304     -6.46674029      3.80528305
  O     -0.96403725     -7.55756332     -2.55150815
  H     -3.93182774     -2.27025537      1.47737384
  H      0.05681527     -7.36756967      3.36896267
  O      1.82261123     -7.07707253      0.92004333
  H     -3.03452122     -1.76021819      0.32552920
  H     -3.19447883     -8.09482931     -0.30101191
  O      1.01283727     -7.36016429      3.51679030
  H     -5.77662997     -3.92444490      2.22528298
  H     -2.63427116     -7.51693011     -1.61010414
  O     -3.37341675     -7.44669453     -0.99272133
  H     -4.32662905     -4.33290826      2.57847842
  H     -2.00832880     -5.04729883      0.44638187
  O     -1.11213643     -5.16240601      0.79194799
  H      2.04140778     -4.27843706      2.12139855
  H     -0.54175015     -5.20887704      0.01700672
          69
 Energy    -247.99319823019431     
  O     -2.42324059     11.59646813      7.80018588
  H     -2.16272613     10.67279378      7.90834655
  H     -0.03709537     13.26175636      6.61458538
  O     -4.81255202      8.44456177      3.19517834
  H     -3.35916293     11.68789870      8.01903506
  H     -5.27506705     13.20059439      5.15628608
  O     -2.64306059     14.85057557      5.23539125
  H     -5.66050856      8.82924955      3.44387484
  H     -5.26669721     13.34907449      6.69629889
  O     -3.44029277      8.73893010      5.65621520
  H     -4.33210132      8.32594329      4.02525819
  H      2.12373408     12.49371424      5.46888204
  O     -7.03388989     10.02555227      4.16148295
  H     -1.96183969     14.53947136      5.84885785
  H      0.72136712     12.30303465      4.84063940
  O      0.16984423      9.52758745      5.55893461
  H     -3.48779364     14.49017965      5.53113394
  H     -6.41098526      9.80125280      5.93261531
  O     -3.06529184     10.04606061      1.74307256
  H     -3.14744202      9.59031719      5.29715719
  H     -5.03582181      9.32187111      6.42408383
  O     -4.16437287     12.72162527      1.46528692
  H     -2.82683282      8.54943672      6.37457491
  H     -2.27029006     14.40399675      3.52249183
  O     -1.44705227      8.92897849      7.64976464
  H     -7.82867673     10.25939970      3.68959603
  H     -2.26055666     15.00781135      2.09701379
  O     -0.60128871      9.61997181      2.71406319
  H     -6.40375886     10.75650668      4.03233864
  H     -3.20818679     16.51076198      4.57919351
  O     -0.38303287     12.25593878      3.51093376
  H      0.62073297     10.37602897      5.65634727
  H     -4.62832609     16.90726743      4.15820209
  O     -0.82014034     13.71261841      6.95012132
  H     -0.11650265      9.47281394      4.63984098
  H     -3.25305981     16.92188758      2.40028116
  O     -5.24118833     13.85223161      5.87494820
  H     -3.73245917      9.48089218      2.16032917
  H     -2.76035929     17.36047115      0.99917867
  O      1.24140849     12.18352393      5.65664601
  H     -3.49701979     10.87149826      1.50070931
  H     -5.70340228     12.05603875      8.87559757
  O     -5.83682571      9.78250075      6.70795300
  H     -3.36155949     13.13323020      1.81626616
  H     -5.48679420     11.20844890      7.59754681
  O     -2.06327475     14.20589062      2.59552232
  H     -4.77168116     13.46161619      1.31758311
  H     -5.86168307     15.34397239      2.41330108
  O     -3.70338095     17.16981310      4.07206609
  H     -1.00628253      8.32980207      8.24572157
  H     -4.76523217     15.67578509      1.39087424
  O     -3.06021487     16.60618726      1.49858492
  H     -0.82596434      9.10693719      6.91908505
  H     -7.10026485     16.18805779      4.57249748
  O     -5.20580224     12.01807648      8.06297012
  H     -0.14821465      9.03864338      2.10912704
  H     -5.96260897     15.20062945      4.90659516
  O     -5.53988142     15.11673563      1.53319384
  H     -1.50412991      9.73105044      2.36201033
  H     -1.91106606     11.66239528      4.54831137
  O     -6.25051306     15.87547280      4.27079781
  H     -0.41486430     11.41364886      3.03750992
  H     -2.55461262     11.54522637      5.95614306
  O     -2.69137866     11.35264195      5.01908386
  H     -0.88100064     12.92687596      3.02507160
  H     -4.28376890     11.66643148      4.30349728
  O     -5.12096861     11.96053449      3.91285479
  H     -1.32841485     13.03433294      7.41603716
  H     -4.90986879     12.24023852      3.01259029
          69
 Ord_Energy   -247.993103    
 O   -3.38470864       7.35598850       1.86986125    
 H   -2.62152982       7.93248606       2.05568576    
 H   -4.11412096       7.93018484       1.65029156    
 O    3.27896476       3.57331371       3.98770380    
 H    3.24924946       4.17912388       3.22665191    
 H    4.19945431       3.38579631       4.15449238    
 O   -1.16028833       8.85634804       2.36500120    
 H  -0.522822201       8.92890835       1.64240360    
 H  -0.644019723       8.60084057       3.13666964    
 O    1.06316543       1.89679122       3.33929729    
 H   0.365200132       2.53518152       3.55489874    
 H    1.88755250       2.31390476       3.61539459    
 O   -1.32050824      0.508432806       4.22631454    
 H   -1.51407945      0.951454341       5.06257153    
 H  -0.413307786      0.742795825       3.99512982    
 O   0.790540695       2.51304936      0.581950426    
 H   0.927342534       2.19456005       1.48302805    
 H  -0.162229598       2.51979184      0.432850182    
 O  -0.920052350       3.74745178       3.84126639    
 H   -1.73192787       3.29890466       3.57642245    
 H  -0.995622933       4.00599384       4.76685286    
 O    2.60734439       7.98700142       2.42040610    
 H    2.07819963       8.36012363       1.70285010    
 H    2.03990746       8.01063633       3.20031619    
 O    1.73792195       5.18816900       5.77589560    
 H    1.56034005       6.01011801       5.30708075    
 H    2.29706788       4.65094709       5.20180321    
 O   -3.48983192       6.22483873       4.52659845    
 H   -3.53600121       6.47439814       3.59849381    
 H   -3.75621557       5.29744244       4.60724688    
 O   0.388620198       6.59151220      -1.01202393    
 H    1.02936435       5.87247944     -0.949668884    
 H  -0.444793165       6.23807144     -0.674438298    
 O   0.505976439       7.51455402       4.35111523    
 H  -0.182798758       7.42092609       5.02294397    
 H   0.315310478       6.87502956       3.64403963    
 O   -1.61079824       7.11965227       6.17306566    
 H   -2.33240891       6.83923578       5.57779551    
 H   -1.98363876       7.74596024       6.78713655    
 O   -4.04083252       3.52179551       4.87355995    
 H   -3.56134319       3.02812815       5.54763365    
 H   -3.91246295       3.01596642       4.05814600    
 O    2.23573613       4.44457579     -0.618408740    
 H    1.72335768       3.72084188     -0.212130308    
 H    2.75141597       4.05597973      -1.32007873    
 O   -2.01367617       2.84046054      0.163362250    
 H   -1.98496890       3.81005383      0.235033289    
 H   -2.44386268       2.63708496     -0.663787961    
 O   -2.13653111       2.06696177       6.57854462    
 H   -1.61573696       2.87715316       6.70599270    
 H   -2.29267287       1.70610249       7.44829607    
 O    2.98911858       5.31890821       1.92812288    
 H    2.87623620       5.10393095      0.993853509    
 H    2.99473262       6.28251123       2.03848958    
 O   0.855962753       8.89147663      0.360139072    
 H    1.03305244       9.59254265     -0.261854202    
 H   0.706454575       8.08456993     -0.162911683    
 O   -1.76638663       5.54810476      0.484759033    
 H   -1.02930772       5.60274982       1.11574817    
 H   -2.45532393       6.12151241      0.841609836    
 O   -2.97750473       2.14204311       2.73701262    
 H   -2.69029331       2.26733446       1.82582223    
 H   -2.46098709       1.41867590       3.12566233    
 O   0.203725994       5.64223099       2.36269140    
 H    1.12704360       5.43697357       2.18031931    
 H  -0.175384283       4.92204285       2.89232779    
 O  -0.765909195       4.45441675       6.56058598    
 H   0.181252867       4.59418488       6.40282631    
 H   -1.15795350       5.33578634       6.58211279    
          69
 Energy    -247.99307157119927     
  O     10.01690124     12.05352634    -10.05454958
  H     10.22947552     11.87070254    -10.98607672
  H     13.85875053     12.49195042    -13.28057488
  O     12.93574131     10.06903004    -16.56631876
  H      9.09699042     12.30411802    -10.02553916
  H     15.40436376      8.20729447    -13.31249706
  O     11.52799671      7.37495912    -10.87412486
  H     12.10563634      9.58860256    -16.44917401
  H     16.59872258      8.52822234    -12.38525294
  O     14.08666321      9.27839789    -14.20805665
  H     12.70651404     11.00364634    -16.49680392
  H     14.22022153     14.56280223    -11.24597274
  O     12.12243460     12.77832181    -16.02897963
  H     12.47002881      7.20285585    -10.73352956
  H     13.52603542     15.93317200    -11.44681154
  O     11.52400816      8.85469461    -13.17013956
  H     11.28271522      8.03025078    -10.20833094
  H     14.77604043      7.44547718     -9.67386353
  O     15.43927959      7.91029437     -7.97618724
  H     13.84738462      9.51460562    -15.11562590
  H     14.96092852      7.41403433    -11.23555568
  O     13.69323975     10.13804332    -10.76019811
  H     13.25589383      9.05365186    -13.76655691
  H     18.39529349     10.29419302    -11.79091805
  O     13.43094697      9.62004886     -7.31630459
  H     12.47769397     12.93356036    -15.13904484
  H     17.25028837     10.14487585    -10.76083508
  O     15.54951567     13.47228053    -10.91066665
  H     12.29528559     13.56822107    -16.53569921
  H     11.59629101     12.04031894    -12.81909969
  O     11.38621011      9.70833947     -9.25750546
  H     11.27975597      9.73988353    -12.87161680
  H     10.26961698     11.54209941    -13.44419110
  O     13.06111046     13.01680298    -13.42621578
  H     11.47319744      8.26120376    -12.40709002
  H     14.23908480     11.21423276     -9.43306102
  O     15.98774186      7.82775815    -12.64172353
  H     15.67317758      7.33070929     -7.25616964
  H     13.74866031     12.51572234     -8.76386440
  O     13.37575360     14.99185547    -11.47602702
  H     14.69289677      8.45583012     -7.66851310
  H     14.86702981     10.63295448    -13.43836994
  O     14.30975726      7.43516977    -10.51807276
  H     13.94122007      9.20299827    -10.71154389
  H     16.07957377     10.96729009    -12.52816135
  O     17.45644326     10.14664156    -11.71247708
  H     14.15464403     10.51788942    -11.51341688
  H     10.42653748     11.97819037    -15.57182356
  O     10.79239088     11.54120747    -12.62750239
  H     12.61099373      9.55661894     -7.82505277
  H      9.83640010     10.56276300    -15.44122470
  O     14.48835205     11.88835022     -8.77922791
  H     13.78246972     10.49522929     -7.51518893
  H     16.14967729     10.85986670     -8.81663140
  O     15.24160358     11.31944931    -12.86150772
  H     15.32042411     12.99555354    -10.10195826
  H     16.43571816      9.35317302     -8.69093067
  O      9.72184542     11.47486335    -15.14426242
  H     15.59130997     12.80458110    -11.60386320
  H     11.50749398     13.06517507     -9.42980565
  O     16.76460186     10.16909876     -9.08965979
  H     10.78226008     10.44957238     -9.37654903
  H     12.53363992     14.09244251     -9.95165851
  O     12.32902794     13.51891388     -9.20440846
  H     12.13164698      9.88736953     -9.85215865
  H     10.08198575      7.97001599    -15.93829592
  O     10.51033765      8.79336930    -15.71927359
  H     13.09759110     13.76924030    -12.82070204
  H     10.83759169      8.70450721    -14.80732696
          69
 Energy    -247.99304882792796     
  O     18.56831718      9.89123787    -10.71806949
  H     19.12647413     10.18687961     -9.98984178
  H     12.35513900      8.93544511     -9.41100898
  O     13.32236661      5.97946769     -9.90361403
  H     17.79096467      9.47118122    -10.31726713
  H     19.57455719      3.95732117    -13.22065266
  O     11.72811636      8.08546983    -10.96391361
  H     13.49368090      6.25888656     -8.99613628
  H     18.52032516      4.59420475    -12.30419821
  O     17.32371324      9.98726456    -13.17386114
  H     12.70156449      6.62300103    -10.26996770
  H     15.59199606      6.77356174    -12.03057775
  O     19.81690154      7.54312771    -11.62668187
  H     10.84550810      8.05117055    -11.32264413
  H     14.83631968      6.15962772    -10.78404308
  O     20.49537689      7.54293801     -8.83079146
  H     12.30098421      8.44020926    -11.66703335
  H     17.44394643      9.31055802     -6.78483483
  O     18.17614312      5.39583821    -10.73321588
  H     17.76086464     10.09118122    -12.31597299
  H     17.17838267     10.82236622     -7.00966935
  O     13.37564043      9.05641373    -12.88312061
  H     17.96205006      9.51800840    -13.73157114
  H     19.49989054      7.95074438    -13.47336748
  O     15.83218028     11.94701366     -7.49889265
  H     19.39232022      8.36340051    -11.33385782
  H     18.65137979      7.48230882    -14.67053999
  O     15.01490972     11.40412152    -12.67459721
  H     19.22973594      6.81700136    -11.37609583
  H     16.47981718      8.39079060     -8.81407450
  O     14.79807607     10.92815296     -9.87287608
  H     20.50295076      7.50518356     -9.79502353
  H     16.08070947      7.89394793    -10.23359885
  O     12.83834053      9.29964363     -8.65777656
  H     20.43502420      8.47937592     -8.60284177
  H     20.64984768     10.99094046     -8.05019926
  O     18.69230308      4.32173041    -13.21959097
  H     18.32537042      5.40073824     -9.78187592
  H     19.29592209     10.29184590     -7.77172540
  O     15.70123705      6.39788191    -11.14747849
  H     17.26106725      5.68834926    -10.87254285
  H     17.22003816      6.90839630     -7.37186380
  O     17.87419971     10.17290923     -6.83496195
  H     13.78785015      9.92555199    -12.81952859
  H     15.72492988      7.35834886     -7.14768550
  O     19.11232404      8.24745480    -14.30846962
  H     14.06066573      8.47930109    -13.24518292
  H     16.22497152      7.07676993    -14.15351026
  O     16.34244056      8.67353944     -9.72719118
  H     15.45740833     11.69357140     -8.35621300
  H     16.26703888      8.44639542    -13.42670442
  O     20.06367026     10.31277280     -8.37316567
  H     15.11503899     12.34304814     -7.00912367
  H     19.32871886      6.42748377     -8.19191180
  O     16.64390276      7.65690246     -7.17037148
  H     15.84668191     10.96299136    -12.91669724
  H     19.04463136      5.14902438     -7.36827441
  O     15.71077649      7.67328030    -13.59509228
  H     14.97484474     12.20685306    -13.18870259
  H     13.30227128      6.98185427     -6.58123242
  O     18.63436604      5.78871298     -7.94498892
  H     15.32844933     10.11558221     -9.83762842
  H     13.52501958      7.97841362     -7.74110230
  O     13.87431623      7.17107467     -7.32114955
  H     14.81830902     11.22173800    -10.78957046
  H     17.87522699      5.35231423    -14.39441909
  O     17.46052930      5.98302903    -15.00760827
  H     13.43360358      9.96205958     -9.03082297
  H     17.35364574      5.52779519    -15.83887054
          69
 Energy    -247.99298916863575     
  O     -0.93084054      3.77507270      2.73956764
  H     -0.44683250      2.94374727      2.62256336
  H     -0.61584687      8.32310232      0.25784892
  O     -2.58225751      5.95681147     -0.53208065
  H     -1.75269999      3.68834875      2.23596490
  H      1.31281176      1.76139749      1.50683370
  O      4.44932712      6.35590772      0.18873048
  H     -1.71845296      5.93538871     -0.96036332
  H     -0.13243659      1.43064058      1.15673570
  O      2.11165705      7.24784192      1.44917963
  H     -2.53863234      6.66143923      0.12831690
  H     -1.02356904      3.22131173     -3.11934493
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  H      5.21506127      6.81980866     -0.13997838
  H     -0.16693709      4.26863962     -2.34669948
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  H      3.97016595      6.02159179     -0.58984942
  H     -3.18764222      1.55994610     -2.74563824
  O      0.85143784      4.81841156      0.83154852
  H      2.12498487      7.24084791      2.41472071
  H     -2.62453487      1.06802572     -1.40484594
  O     -2.11127103      7.89795294      1.41307267
  H      2.99480122      7.03067482      1.12320690
  H      3.29501688      4.22603201      3.37150888
  O     -1.21626524      1.80386382     -0.37295136
  H      0.34461162      5.41656099     -0.71418392
  H      2.16902352      3.47941327      4.11571728
  O     -0.89038415      6.49736441      3.38337458
  H      0.12064823      6.82829487     -1.30371835
  H     -4.73000554      3.97067904     -1.73140680
  O     -2.99024690      3.59471709      0.88161536
  H      1.99203282      3.44217096      0.52507105
  H     -3.77951529      5.18617308     -1.75457110
  O      0.17601180      8.29746572     -0.29278245
  H      2.61311430      2.52440543     -0.55233681
  H     -3.25831212      3.64461961     -3.39525706
  O      0.46229291      1.54681996      1.91091851
  H      0.23436865      4.51158754      1.50694857
  H     -2.93653477      3.12602686     -4.81730245
  O     -0.22732424      3.33252528     -2.58365956
  H      1.26635736      5.63232992      1.14753210
  H      1.48541717      2.81254823     -2.57851286
  O     -3.40851970      1.03019470     -1.97026970
  H     -1.67791978      7.41236302      2.13799537
  H      2.71635155      2.04636634     -3.11604139
  O      2.61615418      4.32071874      4.06040796
  H     -2.67538729      8.55057845      1.81912939
  H      2.10708905      5.95417899      4.21410163
  O     -4.26703842      4.57621024     -2.32378623
  H     -0.78262060      2.30250436     -1.07652624
  H      2.15513290      7.28321863      5.00627384
  O     -2.67530606      3.05172332     -3.90329924
  H     -1.81053322      2.42460683      0.07325777
  H      4.52403293      4.86934889      1.41035755
  O      2.43762779      2.66818732     -2.44857612
  H     -0.94601139      5.53429460      3.31717083
  H      3.88043824      3.47486047      1.40832833
  O      1.82349300      6.88693003      4.20542082
  H     -0.01591205      6.69260539      3.73870707
  H     -6.00060760      2.07888668     -0.34822308
  O      4.36637230      4.09848579      1.96694645
  H     -3.82064010      3.22258873      0.56095751
  H     -4.62839625      1.90077793     -1.04336861
  O     -5.17863984      2.52363419     -0.53518269
  H     -2.86422331      4.43433115      0.41664118
  H      2.94101173      4.49930690     -2.15529183
  O      2.97525343      5.43535594     -1.92308567
  H      0.89870048      8.07440557      0.31184556
  H      2.06167236      5.73936620     -1.94394782
          69
 Energy    -247.99297147407333     
  O     14.53224077     14.22625165    -12.20204080
  H     15.16873564     14.33125353    -12.92674244
  H     12.45283712     12.33570346    -13.69958008
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  H     13.67206299     14.28393336    -12.62986912
  H     13.32920997     12.92820182    -16.88503888
  O     15.36638201      8.25147275    -12.75575375
  H     12.63157766     10.63204972    -16.99772766
  H     14.42555088     13.99735958    -16.68974710
  O     18.74201380     14.26194184    -12.80788902
  H     12.49186945     11.07690691    -18.47080478
  H     12.74475623     14.07727153    -14.88856453
  O     12.26266272      9.57211336    -15.58946894
  H     15.08898308      7.35087488    -12.53665436
  H     11.56241365     14.74658000    -14.14975472
  O     14.01562928      5.89523460    -12.30845872
  H     14.73562960      8.83681655    -12.31295103
  H     18.97534798     12.61120916    -13.79417148
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  H     19.46362969     14.85461488    -12.61424757
  H     18.41271507     11.19069928    -13.70190490
  O     15.45067651     11.63239574    -14.37247260
  H     18.20605268     14.20310439    -11.99827164
  H     14.69102670     11.11114704    -10.89988007
  O     13.41925479      9.83014014    -11.49449553
  H     13.06057511      9.02592333    -15.53719743
  H     15.00960777     12.55045310    -11.37412677
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  H     12.33557453     10.23361229    -14.88459452
  H     14.79717129     10.62876273    -17.28784833
  O     17.76314409     12.14701665    -16.85530984
  H     13.24778466      6.34342218    -11.93174147
  H     15.55051153     10.81255266    -15.95470902
  O     12.80836231     11.44074209    -13.65577129
  H     13.76224398      5.65520388    -13.20832278
  H     11.31660394      8.15049481    -14.71723548
  O     13.52927727     13.75459401    -16.42912006
  H     13.49186690      5.04988361    -15.75644475
  H     11.74121321      6.68263624    -14.54734196
  O     12.29929141     14.15483086    -14.02518447
  H     13.82930478      6.49514076    -15.32407855
  H     17.23998037     14.34773877    -13.90611464
  O     18.85678512     11.80185440    -14.30421852
  H     15.76819557     12.54292505    -14.41342177
  H     16.38776232     14.50520760    -15.21178445
  O     15.38478177     11.78212984    -10.91979358
  H     16.04719467     11.16037206    -13.77663738
  H     16.66440695     10.86006032    -11.88454326
  O     15.57043050     10.32760488    -16.79671484
  H     13.07760456     10.39768173    -12.20142798
  H     16.73182624      9.48911803    -12.60672242
  O     11.14725965      7.35753147    -14.19367474
  H     12.80100430      9.09540670    -11.39376346
  H     11.01591037      7.27557048    -11.01093197
  O     16.34465278     14.31478006    -14.26696088
  H     14.97442899      8.18424010    -14.52390935
  H     11.46138864      7.50641112    -12.47434563
  O     17.14294509     10.36363659    -12.56471606
  H     15.11366594      8.72784993    -15.98418619
  H     16.16997164     14.51855687    -11.02829627
  O     11.75383475      7.55465041    -11.54690855
  H     17.17952040     11.39225539    -16.99496747
  H     16.71434395     13.22393410    -10.46747563
  O     16.98591168     14.12056618    -10.69962137
  H     18.20781404     12.00048486    -16.00677615
  H     16.60231754     14.94659623    -17.73395720
  O     16.27225866     14.37814064    -17.04396507
  H     13.74419695     11.51115735    -13.90625913
  H     16.83882209     13.58400022    -17.03728401
          69
 Energy    -247.99287258584869     
  O     17.80735738      8.52287170    -13.10178709
  H     18.16416457      8.52764893    -12.20188374
  H     12.34497724     11.16702352    -14.42996637
  O     12.07503557     11.42091005    -10.88195291
  H     16.96947578      9.01142329    -13.04944446
  H     15.29083872      7.08545885     -8.26643661
  O     11.05731939      9.21606446    -12.45395047
  H     12.79645668     10.78736964    -10.72631766
  H     15.57888764      7.32323812     -6.76547901
  O     16.38316326      6.06547221    -13.19317137
  H     11.86921041     11.81602998    -10.03882672
  H     13.59468323      8.66355489    -10.84555190
  O     18.59711807      8.92270004    -10.46389190
  H     11.28344485      9.51821457    -13.34155496
  H     14.53842552      9.66670673    -11.52931897
  O     19.87905102     11.38403848    -10.99358374
  H     11.20102011      9.98248154    -11.88557081
  H     18.44581986      7.28426524     -9.58722573
  O     16.28753193      9.85031105     -9.19625035
  H     16.96589604      6.83367268    -13.18614327
  H     17.45535200      6.83137338     -8.49552279
  O     12.72144853      7.19205932    -11.54449363
  H     16.51255250      5.61083835    -12.35064586
  H     16.29562071     12.55293970    -12.25948248
  O     16.89827151      9.42658161    -15.86265994
  H     17.77562658      9.24128613    -10.05966771
  H     16.43301944     12.55555562    -13.82697843
  O     13.84847875      6.32777306    -14.01589635
  H     19.17449538      9.69203844    -10.53720782
  H     16.89084014      3.92911939    -10.51497544
  O     14.21086902      8.81603741    -15.25470776
  H     20.71973306     11.80345622    -10.83391963
  H     17.23309679      5.39072648    -10.14454089
  O     11.96540389     10.42236184    -14.93197197
  H     19.80470147     11.25400836    -11.95647493
  H     14.96188467      9.54734190    -13.77758228
  O     15.88911593      7.53469819     -7.64169450
  H     15.46718576      9.75345586     -9.70273894
  H     15.53798341     10.81617883    -13.06010029
  O     14.03219215      9.51380427    -10.71527111
  H     16.22760390      9.18032726     -8.50414614
  H     18.97567079      9.98055834    -13.52333474
  O     18.10261525      6.50323741     -9.13275368
  H     13.10687299      6.85438250    -12.36253483
  H     18.89291122     11.35989040    -14.19458074
  O     15.80364416     12.58390794    -13.09563182
  H     12.02301356      7.80629724    -11.81785925
  H     17.25965244     11.14262012    -15.57632056
  O     16.64284102      4.83437423    -10.68381354
  H     17.33728073      8.88936118    -15.19660491
  H     17.66319027     12.53639410    -16.10854130
  O     15.42274101      9.85900338    -12.98816888
  H     15.96253022      9.18282699    -15.82344571
  H     18.08197887     12.02146745    -10.76353533
  O     19.43357245     10.82748843    -13.59954767
  H     14.77689941      6.19924905    -13.74606287
  H     16.80177015     11.51350842    -10.08584165
  O     17.50629603     12.04471856    -15.30632680
  H     13.56568797      5.51757575    -14.43208324
  H     12.67693247     12.19829300    -12.50237299
  O     17.12954867     12.16819789    -10.71374955
  H     14.00813042      7.93791885    -14.90473169
  H     13.94297852     12.59578218    -13.30157137
  O     13.00496470     12.38350631    -13.39166788
  H     13.39345361      9.33247715    -15.24907482
  H     15.06541346      5.65488339     -9.95752218
  O     14.40844416      6.18383172     -9.48788391
  H     11.33966593     10.79695694    -15.54638165
  H     13.73773504      6.42915001    -10.13660077
          69
 Energy    -247.99285061098070     
  O     12.69553413      4.98398291    -14.34142078
  H     12.97026386      5.79968696    -14.77585831
  H     19.22062242      9.88290650    -12.35482589
  O     17.25596805      6.31005887    -12.66526871
  H     13.42278611      4.35882812    -14.45792106
  H     16.55022122      7.92759424    -12.48397213
  O     15.78337389      9.97544505     -9.92164481
  H     16.91712980      6.05031306    -13.53077120
  H     16.36613240      9.41110352    -12.96506199
  O     20.05285598      8.47971982    -15.11031859
  H     18.21954672      6.38331828    -12.72092180
  H     11.22265336      4.17994264    -11.64679398
  O     15.01093721      3.29938912    -14.28612073
  H     14.91735009      9.73975173     -9.56407650
  H     12.21217511      4.79071160    -12.66725782
  O     13.17535030      9.22522570     -9.17881527
  H     15.90323830      9.46211528    -10.73890585
  H     17.09241167      7.14165163     -9.51009251
  O     15.90064979      5.84671395    -10.31582823
  H     19.22236311      8.21290197    -15.54408806
  H     17.02578621      8.66847182     -9.29642568
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  H     20.71612644      8.52716733    -15.79320548
  H     13.79841407      3.80687951    -11.51394773
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  H     14.99608758      3.35016191    -13.31351458
  H     15.21865747      4.18768070    -11.05532594
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  H     15.16572290      2.38628563    -14.51183538
  H     17.47227386     10.87869979    -13.72566152
  O     16.12341745      5.71847689    -15.12550872
  H     13.14524459      8.35552406     -9.61245156
  H     16.11873551     11.49797333    -13.24166469
  O     19.02893895     10.30409406    -13.20133975
  H     12.73128975      9.12922283     -8.34017138
  H     18.98558739      8.47612898    -10.27720512
  O     16.03996342      8.73790223    -12.35681931
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  H     20.39444232      9.09857744    -10.21565408
  O     12.06455624      4.62122470    -11.71912963
  H     15.03800826      6.26768445    -10.42362876
  H     15.62644987     12.99369707    -11.21216728
  O     17.63113052      7.91643675     -9.30662844
  H     13.00624490      9.43878277    -12.52120443
  H     15.60867430     11.47648978    -10.92475935
  O     14.72707220      3.55601974    -11.59402954
  H     14.32958726      8.64662494    -12.70644813
  H     14.37207261      8.15897952    -15.69441252
  O     16.53236897     10.99046373    -13.94992499
  H     19.97987971      7.46085572    -12.08738311
  H     13.59558900      7.82120200    -14.41646462
  O     19.70513582      8.83857382    -10.82192135
  H     20.08119790      7.31169766    -13.61823423
  H     12.76645721      6.11679180    -10.89349818
  O     15.38230596     12.15056531    -11.58726828
  H     15.84502275     10.17515066    -15.38677506
  H     13.23860549      7.46387089    -11.48082807
  O     13.91489622      7.43668059    -15.24771263
  H     15.31612784     10.26988682    -16.83317309
  H     13.53439981     11.46036882    -11.57518680
  O     13.24808423      6.92389799    -10.67546773
  H     15.82267701      4.81968439    -14.94207391
  H     12.77286029     10.48831973    -10.65089612
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  H     15.33467551      6.27946971    -15.15788375
  H     16.99342137      8.43735233    -16.28407038
  O     17.69158878      7.77596542    -16.21505693
  H     19.44407562      9.74876459    -13.87438399
  H     17.25647640      6.96136322    -15.93098592
          69
 Energy    -247.99276122757647     
  O     -1.70921158     -2.76972121     -0.22127548
  H     -1.24993534     -1.91802729     -0.18122124
  H      2.05360326     -4.94301616      4.10115966
  O     -1.18225127      0.04315795      7.11237761
  H     -2.65679063     -2.59708850     -0.18493730
  H     -1.22137456     -3.53435877      1.37317668
  O     -1.24359048      0.11776831      2.83671513
  H     -2.01753714     -0.39132564      7.32704240
  H     -0.73200797     -4.72375685      2.28270228
  O     -3.72009358     -1.28730673      7.28518456
  H     -0.54956641     -0.66623178      6.94448425
  H     -2.99769014     -3.65215026      4.72389489
  O      0.33423957     -2.17712589      6.21363670
  H     -2.09645788     -0.32987017      2.73199971
  H     -2.44447188     -3.75113422      3.28289741
  O     -0.67509985     -5.69655444      5.33795567
  H     -1.35773776      0.77559850      3.53346182
  H      2.24902899     -5.58560234      1.86906731
  O     -4.18683603      0.20607403      5.06238645
  H     -3.97076313     -0.78410376      6.48977077
  H      3.03882786     -6.74293734      2.53318805
  O     -0.29151113     -0.45727424      0.20529371
  H     -4.43449576     -1.18999023      7.90906273
  H     -4.04319572     -1.42450727      1.79533470
  O     -0.47775534     -6.52725104      2.74811896
  H      0.34025945     -1.94619403      5.27257538
  H     -3.60106614     -2.03470055      3.13921588
  O     -4.33172310     -4.82867446      1.45683874
  H      0.98428065     -2.88008522      6.29231111
  H      1.99061791     -3.63392364      0.58696873
  O     -2.34535854     -6.79828472      0.77129880
  H      0.16278502     -5.21960794      5.26254810
  H      1.15277176     -4.81361715      0.01360540
  O      1.74919098     -4.29186545      4.74865184
  H     -1.28728757     -5.10169602      5.78411708
  H     -0.02774281     -1.10475672      3.28288039
  O     -0.98424917     -3.79347411      2.27402665
  H     -3.47294859      0.85443568      5.03358339
  H     -0.00979357     -2.63181243      3.05148966
  O     -3.26293583     -3.66780297      3.79690615
  H     -4.18239520     -0.22738818      4.19887009
  H      2.95956428     -1.35395802      1.28718119
  O      2.32022614     -6.13297218      2.67398651
  H      0.59480201     -0.80010577      0.37197369
  H      1.65578171     -1.77274182      2.00031334
  O     -3.70515025     -1.19398610      2.66778875
  H     -0.60055243     -0.09151694      1.04434728
  H     -1.09281951     -5.79836130     -0.37352557
  O      1.94424522     -4.59324442      0.52758354
  H      0.48344279     -6.55854764      2.67161822
  H     -0.90284529     -4.32746303     -0.77205747
  O      0.50176375     -1.90123503      3.43970595
  H     -0.67660713     -6.35046480      3.68140807
  H     -1.59935440      2.64628442      5.32048683
  O      2.10644140     -1.75819009      1.14200289
  H     -3.70029038     -5.51085342      1.19866152
  H     -1.48129494      1.18739751      5.82513265
  O     -0.45105353     -5.18326010     -0.74442983
  H     -4.11137903     -4.57746923      2.36402315
  H     -1.33821913     -3.03027969      6.34575024
  O     -1.74565275      1.73894965      5.06708563
  H     -2.56797745     -7.70700458      0.58232859
  H     -2.80311659     -2.82714958      6.76967797
  O     -2.20034458     -3.46618677      6.36778844
  H     -1.70491994     -6.81651606      1.50283565
  H     -5.21447646     -2.35316505     -0.36926080
  O     -4.47352040     -2.42185384      0.22629991
  H      1.51826286     -3.50906936      4.23784609
  H     -4.50486111     -3.31459537      0.61749970
          69
 Energy    -247.99261381092069     
  O     -1.65602944      3.67802373      2.66619871
  H     -1.22113930      2.92677903      3.08783278
  H      0.76737506      1.34469386      0.69984258
  O     -3.04294150      5.66023915     -0.66611868
  H     -2.11852648      3.35144540      1.88132729
  H      0.50162261      4.58788370     -2.10433778
  O      3.95151990      6.09658593      1.13451020
  H     -2.16115267      5.77114930     -1.05917715
  H      0.81670634      3.13268333     -1.72515797
  O      1.59614684      7.19613559      2.28337949
  H     -3.08206454      6.31828319      0.03685142
  H      0.73084452      8.44861737     -0.88750352
  O     -0.46818601      5.90361787     -1.42956965
  H      4.86604953      6.35986590      1.08342793
  H      1.14653286      8.91013273     -2.30732465
  O      0.23948862      5.05035197      1.08203684
  H      3.62542446      6.03338253      0.21711634
  H     -1.22417975     -0.14577367     -3.46081121
  O     -2.64648039      7.61807834      1.39312412
  H      1.46342814      6.97394519      3.21426013
  H     -1.34492054      1.40056074     -3.43684326
  O     -0.25686307      1.86900770     -0.73450150
  H      2.46780035      6.88444600      2.00776025
  H      1.00006395      3.00139776      4.31874810
  O     -1.75365491      6.28475605      3.58730112
  H     -0.19282726      5.62513126     -0.53942886
  H      2.06667311      3.72460048      3.48376763
  O     -2.67365450      3.04277024      0.19709114
  H     -0.00765143      6.72696161     -1.63039046
  H     -3.72275170      3.27641700     -2.70195438
  O     -0.06410508      8.69032943      0.62863058
  H      0.59532415      5.82571658      1.53762073
  H     -3.42388423      4.73853771     -2.34512318
  O      1.27410290      1.22012012      1.51391175
  H     -0.40221201      4.62782700      1.66677544
  H     -1.77121168      3.49325694     -3.80127492
  O      1.10143851      3.85144491     -2.30405711
  H     -3.29938019      8.25323515      1.67826617
  H     -0.23061531      3.32840566     -3.64126117
  O      1.13815375      8.15658048     -1.72386490
  H     -2.33912810      7.16270947      2.19701079
  H     -0.32777028      0.75611756      4.22427453
  O     -1.55413680      0.58359432     -2.94415335
  H     -0.60461926      1.30804541     -1.43733341
  H      0.35112445      1.35892689      2.96922135
  O      1.59572734      3.75932901      4.32727423
  H     -1.01476837      2.35217525     -0.37819454
  H      1.11780343      5.37285876      4.70814151
  O     -3.37559618      4.09909747     -3.06561873
  H     -1.83688220      5.34229686      3.38050552
  H      1.07058116      6.54198768      5.72170062
  O     -1.01147152      2.95225228     -4.06350128
  H     -0.92899994      6.37476890      4.07674771
  H      3.25729203      4.36998232      1.53723101
  O     -0.15979233      1.57697743      3.77069871
  H     -3.20517798      2.47158571     -0.36941258
  H      1.76382392      4.06012976      1.36391597
  O      0.86052097      6.30593199      4.82241470
  H     -2.84054409      3.95400218     -0.08691837
  H     -4.65770897      0.92285385     -1.95276237
  O      2.59706714      3.68499162      1.68821657
  H      0.52708610      8.29455565      1.28505698
  H     -3.14495061      1.08800863     -2.22451334
  O     -3.91794533      1.50902775     -1.81457584
  H     -0.94989246      8.36676226      0.82914056
  H      2.45220319      5.15440746     -1.71424924
  O      2.91488442      5.91819489     -1.34868411
  H      1.91862738      1.94024432      1.53489157
  H      2.38000056      6.69484539     -1.55554288
          69
 Energy    -247.99261070293093     
  O     -3.54310060     -0.01172010     -0.23251644
  H     -4.01011068     -0.81341139     -0.49439866
  H      0.72324840     -5.24153720     -1.67757672
  O     -3.42042105     -0.91188147      7.15683776
  H     -3.71028459      0.08477577      0.71485067
  H     -0.80424622     -6.18037397      0.17752320
  O      0.76936729      0.16252012      1.19378765
  H     -3.56926548     -0.71601336      8.07794157
  H     -1.54451827     -7.49367589      0.51561773
  O     -3.91657477     -0.32201442      2.53855933
  H     -3.73938504     -1.82073842      7.00589846
  H      2.23741167     -1.89480254      3.28000975
  O      1.38885107     -2.41435215      4.72082602
  H      0.11939929      0.22282758      1.90860239
  H      3.55266612     -1.35480190      2.67397368
  O     -4.23499017     -3.40450255      6.45368535
  H      1.47988320     -0.38494007      1.54489005
  H     -1.09250993     -1.78200757      2.23998954
  O     -1.16516566     -1.54670800      5.58900577
  H     -4.36720747     -0.10133620      3.36630929
  H     -1.17525287     -2.06256946      0.72995774
  O      0.71020452     -5.15783598      5.24514637
  H     -4.13978467     -1.24181979      2.34794816
  H     -2.04606488     -3.87095656      2.07333760
  O     -6.12300673     -2.83922034      4.37970379
  H      1.26761770     -3.34825259      4.92867572
  H     -2.23532159     -5.40247893      1.90136548
  O     -0.97800632     -0.89514317     -0.69136003
  H      0.62378091     -1.96682741      5.10324145
  H      0.44677291     -3.27468057      1.33166372
  O      0.91074368     -5.98059057      2.68164420
  H     -3.46812290     -3.81165860      6.02756762
  H      1.96245587     -3.06051300      1.43951364
  O      0.14300264     -5.08327038     -0.93653344
  H     -4.91295725     -3.31903289      5.77185135
  H     -4.06057968     -3.65739622      2.15713339
  O     -1.24893182     -6.66707914      0.88980488
  H     -1.45339496     -2.44529346      5.37215435
  H     -4.81073377     -2.91408137      1.02693978
  O      2.68348169     -1.67136490      2.44301447
  H     -1.82959335     -1.19427823      6.19303134
  H     -2.16038538     -0.13429994      2.93851031
  O     -1.12344091     -2.49771875      1.59144033
  H      0.80628634     -5.51919621      4.34589534
  H     -1.17694133     -0.56650129      4.06007021
  O     -2.56384478     -4.63510776      2.38072418
  H      1.16179372     -5.75554477      5.83485787
  H     -1.59169007     -2.40223313     -1.47338368
  O      1.30043341     -3.68022481      1.11121600
  H     -5.71225937     -2.92091537      3.50342920
  H     -1.36261611     -3.92489931     -1.42720817
  O     -4.76010997     -3.01045961      1.98674281
  H     -7.03360880     -3.10606522      4.27933374
  H     -5.60554265     -1.02612378      4.86559290
  O     -1.22161352     -0.22251295      3.15845538
  H     -0.30171643     -0.44288159     -0.16723809
  H     -4.57523430     -0.28365575      5.73451293
  O     -2.03076378     -3.25735618     -1.60621894
  H     -1.81612173     -0.42009841     -0.57718574
  H     -2.17777632     -4.41370357      4.14904950
  O     -5.16604866     -0.17409513      4.97977271
  H      0.18943068     -6.37863592      2.18301761
  H     -1.06602666     -4.60517398      5.21576106
  O     -1.92985304     -4.20345735      5.05948521
  H      1.17668543     -5.20191310      2.17313697
  H     -3.68465703     -2.95887603     -1.09167192
  O     -4.57039845     -2.68736514     -0.79236387
  H      0.65014534     -4.55858083     -0.29340590
  H     -5.15871890     -2.82020103     -1.53145320
          69
 Energy    -247.99257605155782     
  O     21.11875694     12.09644908    -18.26787798
  H     21.36188624     12.91827095    -17.80507118
  H     17.92178459     12.24600453    -18.76576477
  O     17.44058931     18.18612819    -14.08864539
  H     21.88414029     11.82419827    -18.76675676
  H     14.91298181     12.63658508    -13.87028421
  O     21.51983523     14.77007166    -14.10925265
  H     17.31418533     19.10954396    -13.88926142
  H     16.15515905     11.99647613    -13.20064580
  O     14.16031486     14.30511663    -14.31391110
  H     17.46097662     18.11133013    -15.06098950
  H     18.44177583     12.40941616    -12.96831960
  O     16.94792379     11.62417654    -17.28617840
  H     22.25657368     14.97122398    -13.53708137
  H     17.86028002     11.38688789    -11.96415322
  O     18.13594817      9.63331480    -11.84475380
  H     20.79620410     15.36313285    -13.84786989
  H     17.31294498      9.22474696    -14.88522142
  O     15.64559941      9.84162030    -15.55310272
  H     13.25134734     14.58228983    -14.23786268
  H     18.78761235      9.56833554    -15.14080173
  O     21.67238797     14.40309138    -16.96372949
  H     14.69924191     14.98396788    -13.87003985
  H     16.56887935     15.98934541    -18.96868450
  O     19.51918161     16.00871846    -17.63889609
  H     16.45237602     10.93653670    -16.82426916
  H     15.75344768     15.51239187    -17.76135921
  O     15.76009343     16.10045683    -13.07720235
  H     16.50733040     12.46056349    -17.07714193
  H     18.82387415     15.78100430    -12.60440580
  O     19.64994997     12.63950466    -14.23120050
  H     18.14691704      8.81486568    -11.35715995
  H     18.76825596     17.02890479    -13.52986767
  O     18.52852517     12.68875514    -19.37317126
  H     18.20174227      9.38707905    -12.78365921
  H     16.88604993     17.45695287    -17.25242367
  O     15.36834021     11.79952756    -13.72379569
  H     14.84887908      9.31985827    -15.58766507
  H     18.40086438     17.48452097    -17.05291022
  O     17.77068308     12.29875700    -12.27732539
  H     15.50440973     10.53092143    -14.87737092
  H     17.72215018     14.89320276    -10.46447222
  O     18.20423265      9.09302740    -14.53731540
  H     21.73158595     14.54679035    -16.01343995
  H     17.71242581     13.92466553    -11.66938409
  O     15.93873995     16.29113557    -18.30279034
  H     21.02935610     15.05198799    -17.28555114
  H     20.11995244     11.18264750    -17.00887522
  O     19.28355121     16.23750009    -13.32281528
  H     19.04155376     15.50941917    -16.95905622
  H     18.60677286     11.16135397    -16.67031778
  O     17.58438544     17.89162979    -16.74128452
  H     19.08137050     15.81926736    -18.47947724
  H     18.67660167     13.87530195    -15.18263204
  O     17.72632179     14.86488217    -11.41774310
  H     16.36199574     15.68738233    -12.44609433
  H     18.44067674     15.33670504    -14.79403345
  O     19.48164966     10.90783818    -16.33926402
  H     16.23386424     16.85367360    -13.44912613
  H     18.19787908     14.33610893    -19.79336869
  O     18.26200571     14.69249190    -15.48803456
  H     20.43952435     13.19160178    -14.20599703
  H     18.19554664     15.43214373    -20.88420897
  O     18.07607265     15.28987703    -19.94919800
  H     19.72944218     11.98783967    -14.94231156
  H     15.15539617     14.11736010    -15.87597649
  O     15.82087434     14.06415059    -16.57191322
  H     19.41972343     12.47340339    -19.07380340
  H     16.65762204     14.34856427    -16.17141595
          69
 Energy    -247.99255896471047     
  O      4.10425758      1.71717822      1.46216920
  H      4.20165983      0.78839633      1.21351393
  H      0.04365124      0.04624009      3.97867057
  O      1.30789816      1.47400210      1.66960035
  H      4.14917802      2.23253893      0.64533096
  H      3.30932226     -1.31551855      1.11072761
  O     -2.59534809      0.92008667     -0.14133289
  H      2.25738471      1.61585918      1.57408628
  H      4.68199034     -1.60029919      0.45908250
  O     -2.28674369      2.63055266      2.10022030
  H      1.18311073      0.93726622      2.46269612
  H      3.97280937      2.65676824      3.04931589
  O      0.05719394      0.17779524     -0.42558700
  H     -1.66122445      0.73306625     -0.33471492
  H      3.18520849      2.77938528      4.38242632
  O     -2.44216877     -1.23998976      1.74654532
  H     -3.02030178      1.08836664     -0.97856693
  H     -3.02625624      3.41701288      3.64500763
  O      2.18406973      5.04203204      0.12569534
  H     -2.54426603      2.11526263      1.32691123
  H     -2.59492068      4.34398189      4.81101980
  O      3.82698395      2.97493498     -1.03341079
  H     -1.53759196      3.17739656      1.81930120
  H      0.28156524      5.01539415      2.74776797
  O     -0.31785534     -2.44369677      0.58693079
  H      0.49444639      0.64006035      0.30717521
  H      1.48900061      5.77049557      3.31048797
  O     -1.16139699      5.36820584      5.49623161
  H     -0.00347362     -0.75314186     -0.17395865
  H      2.62528344      1.60456291      6.44621610
  O     -1.69920481      0.49058698      3.82841798
  H     -2.68990079     -0.56625154      1.10138452
  H      1.30556392      2.22071429      5.93149502
  O      1.00000533     -0.09669363      3.92855842
  H     -2.24526826     -0.75987955      2.56235564
  H     -3.47437163      1.39543355      6.77737796
  O      4.00549845     -0.93422772      0.54564459
  H      2.74766091      4.38538051     -0.29976711
  H     -3.03977317      2.34307017      5.63069259
  O      3.76123394      3.25829077      3.77613010
  H      2.63689354      5.31289112      0.93530379
  H     -1.02616542      2.35730149      6.46283437
  O     -3.24770365      3.68190450      4.54778189
  H      3.36795505      2.15714919     -1.29559559
  H     -0.47284798      3.76249922      6.17415138
  O      0.55333588      5.60337572      3.46553195
  H      4.41539219      3.19845594     -1.75007990
  H      1.72314324      0.43465299     -1.33572410
  O      2.13444923      1.79352955      5.64988429
  H     -1.09858918     -2.10030896      1.05765039
  H      3.12494459     -0.03318928     -0.90355719
  O     -2.76241995      1.57981997      6.17167940
  H     -0.58091495     -3.26567687      0.18183134
  H      0.64053671      4.37420306      0.78139662
  O     -0.21116880      2.87156961      6.43942490
  H     -0.52512957      5.50262781      4.76964077
  H      0.46279023      3.03556940      1.51967160
  O      2.66373360      0.55932349     -1.51145289
  H     -1.26766845      6.21130032      5.92762994
  H      1.23979466     -2.20998772      1.60765746
  O      0.02065457      3.87755866      1.33448327
  H     -1.83615345      1.25695599      3.25285471
  H      1.72097870     -1.39079896      2.82383463
  O      2.03095354     -1.93434751      2.08669551
  H     -2.09313761      0.71425292      4.68049756
  H      4.00596540      6.27458127      2.94360962
  O      3.29200545      5.69178715      2.70033834
  H      1.41932499      0.48686417      4.57419496
  H      3.47882886      4.83204274      3.11907145
          69
 Energy    -247.99255248909947     
  O     17.17012697     11.05100696    -13.14707844
  H     16.63912958     10.38563175    -12.68005851
  H     11.24136241      8.27782838    -10.14780117
  O     15.02331427      6.53181730    -11.78152741
  H     16.57031850     11.78675571    -13.32164909
  H     16.12255557     12.16203215    -10.40854453
  O     11.74524300      8.94776408    -13.64386428
  H     14.06938459      6.47474855    -11.92312567
  H     14.60593798     11.89534028    -10.31051842
  O     13.57903275     10.37632022    -10.03885110
  H     15.44674810      6.33415508    -12.62741255
  H     14.77117879      9.70205071    -11.27864499
  O     18.33954716      8.41436425    -10.33887620
  H     11.50129616      8.39575797    -14.40262089
  H     15.26930745      8.36475933    -11.89888605
  O     13.80028866      6.97710341    -17.01124704
  H     12.49072286      9.49911556    -13.91750465
  H     17.96308121     10.19100141    -14.42585645
  O     16.15667751      6.24341431    -14.27222701
  H     13.63956516      9.73951054     -9.31465681
  H     19.00982180     10.01025024    -15.55481561
  O     14.04759213     10.38570488    -14.18772595
  H     12.69311985     10.29825172    -10.41416678
  H     11.30500429      4.01618995    -13.93086366
  O     14.38146988      4.49618039    -15.59847134
  H     19.19360095      8.15300762    -10.00137052
  H     12.08407820      5.26017986    -13.45078619
  O     13.74767577      8.29322539     -8.17898797
  H     18.31824295      8.12831907    -11.26800317
  H     18.46559801      8.24616754    -13.69412316
  O     15.96239009      7.24407968     -9.28776323
  H     14.06330892      6.11070766    -16.68024364
  H     17.68284041      6.97836900    -13.35683643
  O     11.55026966      7.42848138     -9.80734171
  H     14.47545123      7.59261812    -16.69740764
  H     10.24639244     10.44486528    -11.21896873
  O     15.25700565     12.52868031    -10.63939753
  H     15.66065425      5.54956781    -14.72251623
  H     11.20527014      9.59562629    -12.08320496
  O     15.27685741      9.32230548    -12.00943675
  H     15.96421359      7.06623618    -14.74523408
  H     12.16139400      7.36616959    -12.77152350
  O     18.29519158      9.57186118    -15.10099165
  H     14.45077053      9.93918667    -13.42396962
  H     11.99041971      6.71238701    -11.36980076
  O     11.98014838      4.63771454    -14.19153428
  H     14.23645816     11.32189550    -14.05877952
  H     11.38644289      6.25207088    -15.28000706
  O     18.30156043      7.61706176    -12.98213807
  H     13.54376521      4.49340585    -15.10830762
  H     12.16683160      7.17846034    -16.22081819
  O     11.03158871      9.90483582    -11.17782584
  H     14.46641106      3.63599275    -16.00295018
  H     17.91968885     10.31617456    -10.22220208
  O     12.29351851      6.54711423    -12.27499043
  H     13.80609876      8.26973869     -7.22788992
  H     17.81283482     11.34123774    -11.34382846
  O     11.38702516      7.14152598    -15.64581023
  H     14.57000531      7.89742858     -8.52135233
  H     15.10619560      9.29180688    -15.26631096
  O     17.75839461     11.25346106    -10.38366258
  H     15.64799064      6.82300022    -10.10103257
  H     16.58262259      8.97067027    -15.63158717
  O     15.68056874      8.63025473    -15.67472509
  H     16.78581234      7.68285305     -9.53167549
  H     15.07378092     12.83579432    -12.33715771
  O     15.05258926     12.90931413    -13.30991874
  H     12.26308588      7.63357730     -9.18940503
  H     14.96478045     13.83641489    -13.51201681
          69
 Energy    -247.99242465285326     
  O     15.00327093      9.28257348    -10.30068104
  H     14.75293456      9.97168452    -10.93239552
  H     16.76947434      3.66284131    -13.59523418
  O     14.11737813     11.66462857    -15.74697048
  H     14.20188061      8.81683427    -10.02392688
  H     12.50907140      7.52920816    -10.73062156
  O     17.37526886     10.36346793    -12.65585665
  H     14.20277065     12.37091944    -15.09393925
  H     13.40889627      6.85620831     -9.64301836
  O     12.65334584      5.35410562    -13.59733159
  H     13.61856935     10.96124383    -15.31369125
  H     18.28855732      7.36964453    -15.07255549
  O     17.35871286      6.65631897     -9.46111426
  H     16.42609517     10.54084049    -12.58390456
  H     18.52212431      6.35018937    -13.93940703
  O     17.36121756     12.75664865    -14.19608211
  H     17.65987743     10.04522783    -11.79250450
  H     15.75433603     13.35222950    -13.82131114
  O     15.49203632      7.22978132    -12.29039361
  H     13.24735045      4.96495789    -12.94024279
  H     14.69963732     14.43112770    -13.46792542
  O     14.62844528     11.00876661    -12.37453145
  H     13.11343445      5.31152560    -14.44361660
  H     13.79378290      8.93553104    -14.50862596
  O     17.65913436      9.48102949     -9.91143118
  H     17.55933104      7.59876960     -9.48742431
  H     12.54452276      8.95378855    -13.59695996
  O     16.66754564      4.33039622    -15.15403209
  H     17.73413225      6.30351113    -10.27934061
  H     16.76094585     11.64717400    -17.53098991
  O     14.21013623      5.54310369    -15.98382124
  H     17.28264357     12.37349282    -15.07924586
  H     15.75000891     11.43935744    -16.37815864
  O     16.84103743      3.40067356    -12.65733616
  H     17.57056384     12.01829456    -13.60911955
  H     12.01374945      6.81102605    -12.93115987
  O     12.89439352      7.64477445     -9.85310014
  H     15.32134401      7.85934543    -11.58119770
  H     10.76333012      7.59251053    -12.46748787
  O     18.45625931      6.43567396    -14.89876181
  H     15.07058503      6.38924846    -12.06486328
  H     14.80252850      5.24721482     -8.22336311
  O     14.80786576     13.50080976    -13.64326370
  H     14.61029536     11.92497160    -12.67428522
  H     15.73926556      6.00884378     -9.18652284
  O     13.10741266      9.51522934    -14.14378581
  H     14.06874028     10.50060458    -12.97908446
  H     14.62706030      4.81282199    -10.73481304
  O     16.69179427     11.38116314    -16.61794006
  H     17.88869141     10.10773393     -9.22923293
  H     15.31000747      4.12925145    -11.96450378
  O     11.71587361      7.63785090    -12.51067046
  H     16.68504296      9.44561790     -9.94386784
  H     17.72419739      5.02657646    -12.23984986
  O     14.85271833      5.61529590     -9.10184217
  H     17.29941641      5.06479149    -15.19851151
  H     17.18935349      6.47710836    -12.21517277
  O     14.54676033      4.65294988    -11.68436167
  H     15.83316456      4.65364986    -15.50955921
  H     15.25548376      7.59312270    -13.98048736
  O     17.99126123      5.94477553    -12.10020789
  H     14.54841584      6.40762478    -15.69165614
  H     15.99065205      8.28747155    -15.14702691
  O     15.15920313      7.85938908    -14.90926942
  H     13.91898002      5.65053291    -16.88587796
  H     17.61123475      9.51155986    -14.27243538
  O     17.59436014      9.14482717    -15.16853167
  H     17.23144231      2.53175089    -12.64137506
  H     17.39587287      9.87845362    -15.76362165
          69
 Energy    -247.99241219602379     
  O     -7.11539795      1.68697535     -0.33719444
  H     -6.75631955      1.78884892      0.55420143
  H     -7.31471764     -0.28943564      4.10296585
  O     -4.14479006      2.92429900     -3.34451919
  H     -6.89559989      2.52778683     -0.76796690
  H     -3.53428047     -0.98790812      3.20872859
  O     -5.59474403      2.05606056      2.04283971
  H     -4.13483269      3.21208165     -4.25396943
  H     -4.70600583     -0.34541081      3.96523910
  O     -3.27152549     -1.64356158      1.50411499
  H     -3.21946398      2.76765675     -3.09002646
  H     -0.60048625      0.73833082      1.39850587
  O     -1.40247404     -0.43200022     -2.12766339
  H     -5.94647067      1.46400851      2.71705328
  H     -0.88589015      1.60499997      2.66479836
  O     -5.25331909      0.64371324     -2.11746835
  H     -4.96665469      1.53159917      1.52100676
  H     -1.60002520      2.70016077      0.85014269
  O     -5.22101942     -2.88314974     -0.11456295
  H     -3.45048573     -0.77402624      1.10845497
  H     -2.86530889      3.62357729      0.62765384
  O     -3.91161713     -1.76678977     -2.19371479
  H     -3.88621569     -2.24849374      1.07450612
  H      1.04866885     -0.93432329      0.19960297
  O     -1.65587118      2.38507906     -2.38323011
  H     -0.52543096     -0.60297805     -2.49470849
  H      2.06605553      0.20868921      0.05682931
  O     -0.78778264     -0.86712789      0.57103385
  H     -1.56954968      0.51276009     -2.24319061
  H      2.44614898      2.67379344      0.86479427
  O      1.32128119     -0.66554849     -2.83711361
  H     -6.00338693      0.95571357     -1.59256646
  H      1.05240023      2.01417700      0.95020844
  O     -6.56080922     -0.09289729      3.55378921
  H     -4.93194122      1.39437644     -2.63270751
  H     -1.58410643      1.56703378      5.08831214
  O     -3.74696193     -0.43724659      3.97491325
  H     -4.73865139     -2.54554483     -0.89123513
  H     -2.51625646      0.81758514      4.12565380
  O     -0.48532355      1.61991553      1.78324813
  H     -5.47351694     -3.77977880     -0.31757259
  H     -7.20009926     -0.24145788      0.37972215
  O     -2.21826930      3.05373276      0.19455044
  H     -4.46513653     -0.98270977     -2.32267922
  H     -6.44559085     -1.58890674      0.56402517
  O      1.90817819     -0.71205769     -0.18584544
  H     -3.00301432     -1.44202688     -2.21055970
  H     -3.21793846      1.52071492      0.24251805
  O      1.84453668      2.10187216      0.39443840
  H     -1.83248789      2.70563380     -1.48554494
  H     -4.27102524      0.67928568     -0.53281809
  O     -1.80615676      1.48069484      4.16492543
  H     -0.69550209      2.41296232     -2.50292806
  H     -4.61698596      5.14624533      1.79744147
  O     -7.01377552     -0.94672576      1.00787644
  H     -1.04193706     -0.71630024     -0.35100159
  H     -4.90840151      3.63793087      1.62068289
  O     -3.83265792      0.78078323      0.32151321
  H     -1.53377757     -1.31693186      0.98734422
  H     -5.37100073      4.24382577     -0.53313561
  O     -4.45439427      4.40155845      1.22396309
  H      1.61666440     -0.76507670     -1.91405502
  H     -5.26820088      3.76174929     -1.99599019
  O     -5.89659269      3.98718929     -1.29950627
  H      1.87652972     -1.22932055     -3.36822662
  H      1.37231007      2.22682053     -1.47464490
  O      1.07040273      2.16457761     -2.38949977
  H     -6.74737896     -0.47329750      2.67634937
  H      1.25493596      1.25831963     -2.66583731
          69
 Energy    -247.99235428627148     
  O     11.77589085     10.26059484    -15.10763676
  H     12.39465047     10.95381035    -15.36362596
  H     20.20685818      9.14047333    -15.42064054
  O     16.22847412      7.02981532    -12.98420916
  H     12.05407902      9.46064271    -15.57658496
  H     16.94940625     11.78449986    -15.68199343
  O     17.09688850     11.04329675    -11.87355777
  H     17.04650473      7.47570046    -12.73319533
  H     16.59065633     10.66052918    -16.65948399
  O     12.68628975      5.51539203    -14.78356140
  H     15.78008394      7.62803346    -13.60486333
  H     14.93385616      9.61055033    -14.24107507
  O     15.60986622     10.70278356     -9.55201345
  H     16.74392445     11.02289447    -10.97375576
  H     14.27589243      8.53771200    -15.18422815
  O     14.40015984      7.49077268    -10.95462514
  H     16.31577224     11.10917766    -12.44429491
  H     11.23768490      9.79021633    -13.53140482
  O     14.74401595     11.10622413    -13.26254680
  H     12.48552278      5.95610087    -13.93751031
  H     10.05362279      9.68036860    -12.54232847
  O     16.53568448      6.18573546    -17.44051194
  H     12.07467318      4.78864173    -14.86605736
  H     18.60271405      8.04493811    -10.67047608
  O     16.05375769      7.96671424     -8.72344899
  H     15.76297057      9.83169037     -9.16706616
  H     19.47767410      7.82152278     -9.42817149
  O     17.19656283      8.75633546    -16.44637444
  H     14.73906076     10.65330878     -9.96586243
  H     12.87402106      6.97642454    -11.88323696
  O     15.51805943      5.32234040    -15.09465505
  H     15.04628816      7.26606319    -11.63998152
  H     11.68822562      7.70208268    -12.55967202
  O     19.41254380      9.25515095    -14.90545619
  H     14.89147229      7.55911561    -10.12738813
  H     18.76825171     11.06684290    -14.53834362
  O     16.31715421     11.53783044    -16.37434605
  H     14.12611779     10.85267642    -12.56227629
  H     17.95245206     11.76043183    -13.44198553
  O     15.08234520      8.78150231    -14.71393109
  H     14.29365845     11.64176745    -13.92480172
  H     17.95371835      9.50759732    -12.14884714
  O     10.97845157      9.47400455    -12.64715127
  H     17.04743484      5.47769538    -17.82184385
  H     18.87212915      8.79260870    -13.17505905
  O     18.58050187      7.75282315     -9.74506029
  H     16.18087096      5.84925737    -16.59674338
  H     14.56643207      8.08374990    -19.17791178
  O     12.15220518      6.85774828    -12.51473084
  H     16.03949226      7.63181310     -7.83055415
  H     15.06108824      6.99896364    -18.20879166
  O     18.23228190     11.84884470    -14.36174095
  H     16.96340098      7.85743787     -9.05005490
  H     13.68535417      9.17612030    -11.10374246
  O     18.41218013      8.67272704    -12.33627661
  H     17.09368574      7.90661581    -16.88885157
  H     12.41316212      9.93412868    -11.55168407
  O     14.27145025      7.47735967    -18.50175638
  H     16.46324913      8.80783076    -15.81176299
  H     14.67099987     11.98136323    -15.96768205
  O     13.29089009     10.05886689    -11.16955210
  H     15.86205879      5.75224838    -14.30030157
  H     13.64096632     13.13132829    -15.92624493
  O     13.78903340     12.23411848    -15.63909187
  H     14.55841001      5.30546096    -14.99306355
  H     13.26710698      7.79932838    -17.04541743
  O     12.85791182      7.94539979    -16.18087148
  H     18.66417607      9.05583103    -15.49370461
  H     12.71673727      7.08051097    -15.77546044
          69
 Energy    -247.99235073465044     
  O     16.75590420      8.27839714    -16.01211450
  H     15.82702763      8.06515075    -15.85794514
  H     17.47163950      6.54906432    -13.71031459
  O     18.46567506      2.54186292    -12.30707573
  H     17.05677233      7.66477333    -16.69210326
  H     22.34466178      5.03265020    -15.28653904
  O     20.32570817      7.13552012    -13.22448159
  H     18.19146446      2.41066901    -13.22822803
  H     21.43036513      4.37266546    -14.23157355
  O     15.05615016      2.71288394    -15.79064740
  H     17.66166492      2.57213236    -11.77486099
  H     15.81186553      5.47426081    -17.37586776
  O     18.86690974      4.79055656    -15.95781699
  H     20.06801595      6.52267873    -12.52315906
  H     14.60830535      5.88063346    -16.50292333
  O     13.93571528      4.30649497     -9.30219400
  H     20.76517578      6.58780626    -13.88376222
  H     11.48772966      6.02666779    -10.34779177
  O     17.78346993      2.34198367    -14.97642143
  H     15.02016557      3.55615915    -16.27810133
  H     12.90589740      5.44930366    -10.12790090
  O     15.93944633      7.84472965    -11.55746526
  H     14.46170831      2.11212045    -16.23118123
  H     18.65680365      5.37581392    -10.86503720
  O     21.20618368      3.35016116    -12.78925750
  H     19.79864207      4.87087354    -15.71802468
  H     19.05266288      4.14912022    -11.74399688
  O     17.13106032      5.83654015    -10.03218654
  H     18.35509850      5.08474744    -15.18841279
  H     15.01150122      3.58184709    -14.16552011
  O     17.48731620      6.18587269    -17.84396267
  H     14.57841296      3.79613967     -9.81013892
  H     15.99103353      4.63240546    -13.57213867
  O     17.47620823      5.58321391    -13.69378389
  H     14.44636432      4.80278582     -8.65000228
  H     18.76035384      8.10547406    -13.47279900
  O     21.45544735      5.03698805    -14.94141261
  H     18.22458373      3.05613968    -15.45273725
  H     17.55472716      8.47804340    -14.42277404
  O     14.99884037      5.13794604    -16.97874209
  H     16.87020731      2.34939414    -15.28655622
  H     13.25417876      6.43473196    -12.17149979
  O     12.40717677      6.16843967    -10.55653134
  H     16.60386974      8.18392139    -12.17335388
  H     14.23263285      5.63732362    -13.08156216
  O     19.28710008      5.06736550    -11.53141200
  H     15.24337434      7.43179446    -12.08586462
  H     15.67323386      3.55039520    -11.78587906
  O     15.15438046      4.16570368    -13.41189152
  H     20.45821939      2.74176891    -12.74335926
  H     16.45689146      4.18975421    -10.61163022
  O     17.82419715      8.34965073    -13.50040642
  H     20.97994485      4.03741003    -12.15127772
  H     15.59916236      6.39271666     -6.84025358
  O     13.85181260      6.51566435    -12.92522658
  H     16.73204043      5.91075038     -9.15746234
  H     15.05378371      6.87597597     -8.20770393
  O     16.08268022      3.35545258    -10.92959625
  H     16.74416970      6.53958420    -10.57448151
  H     14.86819816      8.15445696    -10.03844002
  O     15.50842876      6.14221650     -7.75523356
  H     17.93188406      6.21291311    -18.68702643
  H     13.51321881      7.51482622     -9.69068802
  O     14.25767142      7.99316094     -9.30545758
  H     18.04533005      5.65940117    -17.24578260
  H     13.93533162      7.15304236    -14.58935511
  O     14.06113897      7.41705109    -15.51517386
  H     18.08898732      5.33715634    -12.99028451
  H     13.31245181      7.96208426    -15.74670503
          69
 Energy    -247.99230267766768     
  O     15.16498108      8.53360401    -14.73479580
  H     15.70102189      7.73459876    -14.81922684
  H     17.32236416      5.26870328    -11.90130654
  O     15.34337401     10.21565942     -8.26651604
  H     14.27339381      8.23469914    -14.50989830
  H     15.54727058      8.73684599     -9.40315489
  O     15.96895321     11.01291068    -15.72576058
  H     15.67641065     10.41820899     -7.39677649
  H     15.73000982      8.67260428    -10.93757324
  O     12.71357335     10.25042874     -9.35759482
  H     15.49986773     11.00416234     -8.81822487
  H     16.69872272      5.57115870    -14.08884490
  O     12.82216241      7.36088590    -13.89456787
  H     15.57290457     10.16310932    -15.48476039
  H     15.59317483      5.66339174    -15.15361906
  O     18.82669614      7.61568120    -14.74079687
  H     15.59337732     11.67304333    -15.13170913
  H     17.77797960     12.29594336    -12.26766030
  O     17.78714435      6.52540827    -10.84338565
  H     12.95893593     10.68567379    -10.18263018
  H     16.53202648     13.08160893    -12.71941393
  O     11.20327137      8.19079437    -10.22889452
  H     13.52537173     10.20549411     -8.83844651
  H     13.37476118      4.25855745    -15.56003586
  O     14.90366993     12.89359661    -13.83520819
  H     13.04968605      7.15062303    -12.97558764
  H     13.89705854      4.65883978    -14.15677710
  O     11.62998964      9.61458226    -12.71102253
  H     12.98132377      6.55819889    -14.40536124
  H     15.65873226      9.26341657    -13.18921664
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  H     18.69453853      8.46935541    -15.17303170
  H     19.07267980     10.75653632    -16.29491886
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  H     18.43095038      7.13877979    -11.21787743
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  O     16.43717008      6.04980110    -14.88841275
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  H     10.42063698      8.05564710     -9.70199658
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  H     14.36679686     12.39742929    -13.19819373
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  H     14.39945628     13.67128291    -14.06549531
  H     20.59273339      7.98404418    -12.14380362
  O     18.47676002     10.64932693    -12.81551169
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  H     19.39467793      7.90094052    -13.12220268
  O     13.41021380      6.75311123    -11.21792411
  H     11.91887757      8.90241070    -13.29674253
  H     14.74577302     12.20873826    -10.51729267
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  H     14.44270748     10.71692856    -12.00908042
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  H     12.90179299     10.77387747    -12.27302826
  H     15.18615009      4.36798714    -12.39051579
  O     14.22407830      4.36946631    -12.47622260
  H     17.65796967      3.86999968    -12.47143280
  H     13.90406658      5.09657874    -11.92496514
          69
 Energy    -247.99220034454117     
  O     -7.23212317     -2.87957495      6.42459797
  H     -6.44943841     -2.34372317      6.60093307
  H     -6.45636455      0.23912665      4.56783887
  O     -6.81592316     -4.50250399      4.26135434
  H     -7.94382922     -2.27266640      6.18423740
  H     -4.35016095     -1.31796852      5.94783233
  O     -5.63073240      0.57904264      0.56010483
  H     -6.99315746     -4.00548094      5.07837397
  H     -4.17550232     -1.63157695      7.45348092
  O     -5.96228393      1.10841430      6.18661424
  H     -6.87365202     -5.42470430      4.49427595
  H     -1.31584563      3.34247105      1.24393177
  O     -5.87785901      5.19128956      1.08829078
  H     -6.44380565      0.93257329      0.94759811
  H     -2.63191025      3.78545786      1.92976908
  O     -9.09923903     -1.00223671      5.36968373
  H     -5.82846589     -0.33283140      0.31844659
  H     -9.10703169      2.64871497      5.56210333
  O     -3.70431094     -1.20799032      4.34782185
  H     -6.85054733      1.20293600      6.55435073
  H     -8.69674552      3.50467162      4.33592585
  O     -4.62953398      3.12785778     -0.18693414
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  H    -10.40947006      2.13801424      3.71169329
  O    -10.96268195     -1.13740170      3.27080954
  H     -6.09505391      5.88524624      0.47165530
  H     -9.84873421      1.54231001      2.42999774
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  H     -5.48376584      4.46729728      0.56955465
  H     -5.92620138     -2.45204610      1.93770992
  O     -3.68748047      0.99870023      2.57039500
  H     -9.83537372     -1.16920704      4.76961576
  H     -6.06498936     -3.24226449      3.28292646
  O     -6.95059749     -0.19951078      3.86515320
  H     -8.35190577     -0.76041811      4.79959510
  H     -8.77508924     -0.22063490      1.20358496
  O     -4.81171380     -1.33794595      6.80675835
  H     -3.54736937     -0.42463406      3.80644114
  H     -9.66821557     -1.31981297      1.79887119
  O     -2.22650912      3.09425013      1.37534571
  H     -4.25392042     -1.78648548      3.79946568
  H     -8.93853146      0.45043658      6.40714532
  O     -9.45396836      3.20135848      4.85319978
  H     -3.74039520      3.10608459      0.18885915
  H     -9.16855010      1.27811265      7.69357713
  O    -10.62899541      1.52543037      2.99464458
  H     -4.97269432      2.22973567     -0.09920703
  H     -4.03964098      4.27440156      3.54386498
  O     -5.66653041     -2.46327624      2.86549895
  H    -10.94853823     -0.16474279      3.19560148
  H     -4.37487845      5.15594359      2.32767207
  O     -9.01866862     -1.15030344      1.10737374
  H    -11.86940670     -1.40855891      3.15551841
  H     -4.51018377      2.15797610      3.71709979
  O     -8.66777441      1.25441664      6.88173606
  H     -7.52384375     -1.84563091      0.51851477
  H     -5.21296142      2.32271884      5.09003327
  O     -3.64315202      4.85882931      2.88238125
  H     -6.70319510     -2.64951376     -0.51928924
  H     -7.77977115      2.27357682      2.19369027
  O     -4.93319801      2.80421589      4.30039125
  H     -3.05693386      1.60748338      2.16498389
  H     -7.65939894      0.78748308      2.60645039
  O     -7.96354898      1.37309510      1.89148811
  H     -4.33662848      0.77625792      1.88908012
  H     -6.90888379      4.35631938      2.40662376
  O     -7.23862702      3.74593907      3.07773323
  H     -6.45394466     -0.97187430      3.56219310
  H     -6.45835584      3.42598115      3.55467315
          69
 Energy    -247.99215297892039     
  O     13.96736922      3.41365350    -16.19903720
  H     14.70862508      2.92200403    -16.57036693
  H     18.86637075      5.38041840    -17.53909284
  O     17.49822060      5.99802721    -11.69953282
  H     13.99476149      4.28149016    -16.62405115
  H     17.55592532      5.97500749    -15.99307617
  O     17.80370829      4.34518280    -18.51459155
  H     18.43581278      6.01393149    -11.92611961
  H     16.64539546      6.39532827    -14.79178312
  O     13.15271027      6.79423573    -10.45829628
  H     17.06246934      6.63643585    -12.28392651
  H     11.86650462      7.99067796    -15.77105938
  O     13.94996225      4.20754720    -13.56159976
  H     17.16930302      4.97373334    -18.88146515
  H     12.96741286      7.52302095    -14.80546087
  O     16.21803448      7.61398479    -13.50767685
  H     17.29307479      3.61659759    -18.14270945
  H     14.11433224      3.29953512    -10.20968319
  O     17.39595601      3.19269777    -14.76550600
  H     12.76757192      7.34139020     -9.77938479
  H     14.81435633      2.33457208     -9.22144006
  O     12.73063789      3.99208770    -11.03786246
  H     14.03291733      6.52667652    -10.13725730
  H     15.24100741      5.93744307    -16.49905040
  O     19.54633963      7.94750525    -14.79196583
  H     13.90622719      3.85426386    -14.46136652
  H     13.86560536      6.66909722    -16.67194345
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  H     14.79881657      3.94857080    -13.18118913
  H     20.11005106      5.40380841    -13.41433506
  O     19.96325145      4.37609662    -14.81160492
  H     15.25880494      7.51496621    -13.43760486
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  H     16.42649039      8.36506479    -14.07732162
  H     15.97160104      3.20426085    -11.41344137
  O     16.74457758      5.76378645    -15.51571932
  H     17.10925726      4.08080175    -15.03444761
  H     16.78886906      4.35806597    -12.05199608
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  H     17.09139855      3.08503461    -13.85517434
  H     15.45764783      4.89996042     -9.55908669
  O     14.97697101      3.04627411     -9.83393451
  H     12.68608723      4.92692172    -10.80369666
  H     16.31838381      5.98093641    -10.24515413
  O     14.47302254      6.03842486    -17.08242490
  H     12.97882365      3.96898668    -11.97307740
  H     15.35044538      6.31981399    -18.56028081
  O     20.11879585      6.06521117    -12.69890565
  H     19.64159712      7.33699839    -15.53290202
  H     15.49689019      6.57760863    -20.07983015
  O     16.35880766      3.51108851    -12.24178401
  H     19.75127453      7.43380578    -14.00212163
  H     13.34402467      6.98916976    -12.28396672
  O     15.56886140      5.85456874     -9.64828899
  H     16.61051063      1.30132685    -17.28833544
  H     13.67527421      5.96007507    -13.39894369
  O     15.99504784      6.46800493    -19.27410822
  H     16.81855610      2.43960434    -16.26328854
  H     17.50016926     10.37192022    -15.27652258
  O     13.55651878      6.90688898    -13.22163057
  H     19.87903712      4.89602311    -15.62030299
  H     18.16489774      8.98629663    -15.09787137
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  H     19.17668959      3.81580902    -14.77694945
  H     17.13228681      7.76517194    -18.41421613
  O     17.83099820      8.23208070    -17.93803161
  H     18.88419128      6.91552466    -17.38282953
  H     17.42808386      8.67249689    -17.18178397
          69
 Energy    -247.99189114167567     
  O     -2.07348982      3.62788101     -2.04600723
  H     -1.92338854      4.35443089     -2.64615244
  H     -4.10939419      0.30925567      0.06745700
  O     -0.26038262      0.86497886      1.75509129
  H     -1.73433710      3.90895967     -1.17792554
  H     -5.84172773      2.76843753     -0.07154615
  O     -4.50511482     -2.82846674      1.36247314
  H      0.43343623      1.40848548      1.36310851
  H     -6.35002667      3.39447510      1.27849823
  O     -1.81454267     -2.86404821      1.21162971
  H     -0.68915259      0.40197098      1.01892458
  H     -0.84755755      2.11682218     -2.02150224
  O     -4.34151155      0.99707418      1.70450385
  H     -4.74157246     -2.30557773      2.14165954
  H     -0.55176478      0.70503543     -1.45438521
  O     -6.17551130      4.65396829      2.65964434
  H     -5.12691306     -2.56631827      0.67401770
  H     -3.07423107      4.21167417      3.16384086
  O     -7.61024144      0.03878765      3.85717607
  H     -2.78877625     -2.88743030      1.23239694
  H     -3.70743241      4.17581428      4.54307917
  O     -2.29160834      2.60729993      2.42734778
  H     -1.52014471     -3.76491493      1.10841435
  H     -4.49970888      1.70854803     -1.41211583
  O     -6.31313974     -1.71089582     -0.54370043
  H     -4.61227264      0.29229902      2.30514256
  H     -3.84438788      3.06849824     -1.67166162
  O     -5.09211915     -1.08097386      3.44218099
  H     -5.11946731      1.52566568      1.47639934
  H     -3.08053236      2.20959297      4.17504904
  O     -3.08576136     -0.67708662      5.37019175
  H     -5.27229082      4.77486703      2.99874202
  H     -3.40586116      1.17099670      5.25795758
  O     -4.07687518     -0.02740835     -0.84266776
  H     -6.61097516      5.49919217      2.73562920
  H     -0.14572556      3.78285685      0.40048089
  O     -6.37809942      2.60822221      0.72166561
  H     -7.21311433      0.90409280      4.06881439
  H     -1.51920521      3.72963213      1.09341628
  O     -0.13538177      1.49742891     -1.81922873
  H     -8.35371124     -0.07556006      4.44229426
  H      0.89874168      2.18397955     -0.59299983
  O     -3.66390288      4.71193856      3.74387196
  H     -3.04487029      2.08768494      2.10324623
  H      2.24716459      2.71305848     -0.04235000
  O     -4.68167907      2.65810263     -1.42783287
  H     -1.51302513      2.04614888      2.30966200
  H     -6.39904491      3.13911672      3.83806137
  O     -3.59092357      2.07774398      4.98413603
  H     -6.93326094     -2.10626715     -1.15010039
  H     -5.41172460      2.24373437      4.62398431
  O     -1.02360556      4.18578597      0.40281376
  H     -6.81787217     -1.07687164     -0.00276685
  H     -1.44878644     -1.80772060      2.74817381
  O      1.33368871      2.57225955      0.18905299
  H     -4.50548878     -0.98048862      4.20202719
  H     -0.79956438     -0.43567501      2.99076656
  O     -6.34263139      2.34740381      4.38379274
  H     -5.98135709     -0.80030467      3.69423001
  H     -1.44907822     -1.41284209      0.08397702
  O     -1.27402109     -1.15087076      3.43327236
  H     -2.39759009     -0.85549986      4.70229375
  H     -2.33467473     -0.37875223     -0.64008907
  O     -1.42353214     -0.55877787     -0.36501555
  H     -2.83680392     -1.15478141      6.15661468
  H     -7.71833890      0.04409946      1.93416440
  O     -7.61878061      0.12001563      0.97855520
  H     -4.80767930     -0.65249831     -0.91465209
  H     -7.33329236      1.02950949      0.81241784
          69
 Energy    -247.99185564976403     
  O     13.56158620      1.40968263     -8.59103669
  H     12.79656859      1.66813574     -9.13176264
  H     10.84183320      4.17485249    -13.48444411
  O     11.55779488      2.24970612    -10.26445873
  H     13.22803584      0.84457513     -7.89850719
  H     11.40707867      7.99120171    -14.23290527
  O     13.30834126      3.25467901    -16.11452808
  H     11.67946682      3.21076713    -10.25082340
  H     10.24671860      8.97776119    -14.49838164
  O     17.22190143      2.72781659    -10.37442718
  H     10.65499940      2.10029563    -10.57778978
  H     12.48448239      5.88400556    -13.58393144
  O     11.82749829      4.97097097    -10.41326152
  H     12.62160260      2.63535671    -15.84832490
  H     13.07713024      4.48535678    -13.29753444
  O      9.10971643      2.20562809    -11.48697208
  H     13.89183624      3.31905612    -15.34423787
  H     15.11429637      4.32421276     -8.68881468
  O     13.05989876      1.29862498    -12.45250245
  H     16.68929049      2.99492087     -9.60246681
  H     14.81060346      2.83758289     -8.36724686
  O     14.48430903      3.41572892    -13.60652555
  H     18.10851717      2.57506036    -10.05886402
  H     12.05346720      1.30673731    -13.96525360
  O     15.15056992      7.32684929    -12.98436734
  H     11.02714500      5.47869491    -10.23378535
  H     11.25163492      0.56539756    -15.05351367
  O      8.93518234      6.14906175    -12.87932600
  H     12.01730049      5.06777837    -11.36018975
  H     14.35294876      6.68717192     -9.81831876
  O     12.94832162      7.31252742    -14.61518867
  H      8.15790204      2.15591320    -11.51256304
  H     13.44794679      5.43964280     -9.82377533
  O     10.05711516      3.64042241    -13.68251118
  H      9.37157373      2.73732586    -12.25537634
  H     15.95267849      1.32011132    -10.81425672
  O     10.53973934      8.28993541    -13.90630309
  H     13.84599235      0.94511951    -12.00892675
  H     14.72249394      0.84308062    -10.02653311
  O     12.33441891      5.06867584    -13.09117390
  H     12.48650912      1.62959262    -11.74851979
  H     16.54645972      4.15849481    -11.38886600
  O     15.51898998      3.49199553     -8.40801589
  H     15.07759996      3.87004281    -12.99363465
  H     15.40303488      5.13654391    -11.04170159
  O     11.48848004      1.43683442    -14.74520752
  H     14.10913069      2.64872288    -13.15364510
  H      8.76096496      6.65188408     -9.73500824
  O     14.35145269      5.73807096     -9.64351777
  H     15.57682290      6.50675960    -12.70946245
  H      9.24592598      6.38861039    -11.18241581
  O     15.19826109      0.72089184    -10.85824642
  H     14.85645085      7.75472958    -12.17015242
  H     13.14084069      8.44265747    -10.77199277
  O     15.96999870      4.83484767    -11.76588216
  H      9.17359649      5.30569317    -13.28241406
  H     14.32380025      9.24105223    -10.17809617
  O      9.54380003      6.56200717    -10.27072499
  H      9.43511986      6.83517660    -13.34110820
  H     13.74639971      5.93005484    -17.73373387
  O     14.08604319      8.39289064    -10.54355220
  H     13.09388753      6.85952480    -15.45909960
  H     13.23450818      4.92684569    -16.68903129
  O     13.26113334      5.87190148    -16.91493818
  H     13.78959881      7.37821830    -14.13925851
  H     10.80858838      7.91900698    -10.75968500
  O     11.44956440      8.48542504    -11.20486332
  H     10.38771128      2.88478868    -14.18326092
  H     11.15388789      8.53348662    -12.12209392
          69
 Energy    -247.99176663679754     
  O     11.38110956      7.18156756    -13.67390867
  H     11.99239940      6.77906071    -14.30632388
  H     18.12230217      7.86551309    -15.62174226
  O     17.05443221      7.65326727    -12.83461620
  H     11.19294058      8.06568082    -14.00867534
  H     13.38407169      8.68760496    -17.04455114
  O     15.41599482     11.81651606    -13.33388465
  H     17.42551351      8.54162468    -12.92970299
  H     13.62052203     10.10408152    -16.54453940
  O     15.26059718     10.65044745    -15.81372971
  H     16.75657717      7.54976156    -11.92203015
  H     15.48128551      8.15652296    -13.59002195
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  H     14.58863317     11.41038351    -13.03564043
  H     14.24511677      7.73492408    -14.43390546
  O     15.22621138     10.68095443     -8.94786857
  H     15.41912342     11.67795146    -14.29097838
  H     11.77867341      6.84126741    -12.02995644
  O     15.95202823      7.44358609    -10.32840709
  H     15.84286805     10.41872651    -16.54781455
  H     11.32151562      6.21425673    -10.69140301
  O     13.13884564     10.30708050    -12.79171276
  H     15.14246304      9.84638726    -15.28323054
  H     17.78644006     11.51678555    -10.69763195
  O     17.43955307      9.14233557     -8.65740495
  H     15.14923658      3.41034003    -14.06013628
  H     18.26447467     10.20177843    -10.06255356
  O     16.84770610      9.58682200    -17.86312619
  H     14.98792961      4.68783374    -13.20392364
  H     13.67337632      5.69367475    -11.48376356
  O     16.99162420      6.28536262    -15.18910863
  H     15.44652932     11.38705360     -9.56818527
  H     15.14887012      5.91062688    -11.12607269
  O     18.40353058      8.76497333    -15.82734947
  H     14.53750759     10.14581798     -9.36385315
  H     18.26722835     10.42080874    -12.50153087
  O     12.91644877      9.48686901    -16.78914772
  H     16.54088118      7.88114199     -9.70167296
  H     17.07843791     10.73448699    -13.43232707
  O     14.69676187      8.49051067    -14.04153356
  H     15.14665435      7.97946304    -10.36898100
  H     15.95026995     12.41842716    -11.74207912
  O     12.06171679      6.63524194    -11.12059450
  H     12.34067348     10.32808073    -13.33052879
  H     16.20765933     13.56766244    -10.74458307
  O     18.46052147     10.82862263    -10.76859953
  H     13.69221181      9.61255586    -13.19090599
  H     15.81272306      7.01150500    -16.49650299
  O     14.56136940      5.35646822    -11.65422968
  H     17.75279730      9.09922469     -7.75798732
  H     15.64946681      8.09057392    -17.56790654
  O     17.88700989     10.21396750    -13.36989740
  H     16.65146249      9.71665331     -8.65568451
  H     13.36377302      9.49220414    -11.19001095
  O     16.20900123     12.61690409    -10.82711538
  H     17.33657877      9.87506961    -18.62841843
  H     12.98734997      8.15335497    -10.52842537
  O     15.17319284      7.37883614    -17.12547399
  H     17.50232300      9.31356256    -17.19360187
  H     11.71024069      9.69116377    -15.50646117
  O     13.55699475      8.92680319    -10.42885241
  H     16.50566723      5.47993056    -14.97788948
  H     10.32987787     10.23148924    -15.07361558
  O     11.12471773      9.82304593    -14.74049406
  H     17.09901143      6.72082784    -14.32793609
  H     13.92094802      6.53352044    -16.08762165
  O     13.44784905      6.24191233    -15.29598943
  H     18.34487801      9.27813205    -15.01112425
  H     13.95601690      5.50870138    -14.92308502
          69
 Energy    -247.99165271386295     
  O     15.33609724      9.70928901    -15.90874211
  H     15.96373934      9.77757237    -15.17956702
  H     19.34223019      3.75655546    -15.53811036
  O     13.94265156      3.48657798    -15.85219231
  H     14.63538233      9.11286021    -15.62005731
  H     17.87267367      7.79518039    -17.53939555
  O     18.20054023      5.56492682    -11.80609474
  H     14.53349609      2.85237461    -16.27636790
  H     18.95760047      6.67733183    -17.65177807
  O     19.23177650      5.00824381    -18.43350735
  H     14.07733512      4.31886840    -16.32186829
  H     17.62873394      6.38375453    -15.94174129
  O     16.58458885      4.30684477    -18.53900164
  H     19.02171111      5.66424182    -12.30301059
  H     16.83639189      6.35649707    -14.59974962
  O     13.97879543      7.08444541    -10.23985880
  H     17.57966656      6.20239993    -12.19310009
  H     12.36724458      8.03433416    -15.44961748
  O     14.46400239      3.97929912    -13.21772643
  H     18.29600838      4.75020194    -18.50450579
  H     13.36720551      7.37342864    -14.47443480
  O     16.45083215      7.23691538    -13.07621776
  H     19.61869862      4.86711729    -19.29374786
  H     14.51889840      3.27833132    -11.50568504
  O     17.60289509      3.18406749    -15.16578592
  H     15.88284477      4.89227015    -18.23421319
  H     14.28680875      2.33834795    -10.30237833
  O     19.43080381      8.41758333    -14.66241560
  H     16.38163976      3.44069962    -18.16255669
  H     15.54503696      5.92716391    -16.44378683
  O     16.05368087      1.96367703    -17.03075746
  H     13.78224778      7.59135090     -9.45711743
  H     14.15462424      6.58872012    -16.56733475
  O     20.09039944      4.32521145    -15.76488378
  H     14.75995411      6.54730719    -10.02486186
  H     20.31322647      5.37624213    -14.35990078
  O     18.64525774      7.40444356    -17.10127698
  H     14.19362901      3.74521321    -14.11846621
  H     21.32540713      5.88992437    -13.31639494
  O     17.00186208      5.86849957    -15.41660555
  H     15.41439148      3.82018820    -13.16507572
  H     16.56785304      2.83121627    -11.75030987
  O     13.27223054      7.74188516    -15.36872632
  H     15.49776790      7.14167645    -12.96299180
  H     17.55061973      3.94823600    -12.20420344
  O     14.91142965      2.95318300    -10.67854085
  H     16.65752376      8.16850909    -13.22672485
  H     15.74595127      4.53978255     -9.97905582
  O     14.75852156      5.98009886    -17.01218447
  H     17.38131915      4.12077345    -15.29441987
  H     16.93133222      5.47489625    -10.31346987
  O     20.40490022      5.93087559    -13.56582400
  H     17.50473811      3.00077902    -14.22150093
  H     13.67866038      6.84138312    -11.96373458
  O     17.11134178      3.13076934    -12.48622318
  H     19.26532898      8.15800006    -15.58107047
  H     13.90995604      5.69282445    -12.99976819
  O     16.11643936      5.41348897     -9.80158690
  H     19.79103228      7.63648292    -14.22854064
  H     17.52868500     10.58415459    -13.35309980
  O     13.72758364      6.63941642    -12.91031292
  H     16.25946243      1.03951412    -17.14144920
  H     18.09737990      9.35487964    -14.10544630
  O     17.27614384      9.77376669    -13.78658393
  H     16.65833396      2.31064208    -16.35030611
  H     15.67690911      7.53726186    -18.00957713
  O     16.26652204      8.29219804    -18.09279777
  H     19.95194019      4.55980651    -16.68966285
  H     15.97032999      8.91617519    -17.41137295
          69
 Energy    -247.99159687830627     
  O     12.64692358     11.49325473    -13.99604699
  H     13.39820872     12.08022893    -13.85591025
  H     19.11240581      9.19546821    -14.60194466
  O     15.91712326      6.68292760    -13.66729517
  H     12.83694127     11.00145729    -14.80767722
  H     14.74543930      9.49211442    -14.89210568
  O     17.45426024      9.83711424    -10.48997510
  H     15.18931626      6.49068035    -13.05964478
  H     15.54009551      8.38752491    -14.10728395
  O     17.46760957     12.29966714    -14.34056627
  H     16.68754441      6.91015402    -13.12916914
  H     10.62558346     10.08279819    -12.05348231
  O     12.61133700      7.19876370    -16.30949588
  H     17.00980954      9.44901666     -9.72867363
  H     11.91278293     10.40994130    -12.84268425
  O     13.81212067      6.42256221    -11.88730658
  H     16.75311396     10.25710533    -11.01421375
  H     17.47236336      6.51315395    -10.61437811
  O     15.35817525     10.75571496    -11.97027372
  H     17.61084197     11.60071257    -14.98696835
  H     16.59544542      6.91200062     -9.40922936
  O     16.92445600      8.27231164    -17.90640723
  H     18.03928791     12.06695723    -13.59330792
  H     11.70091787      8.15319024    -13.27775505
  O     14.82708270      4.53102996    -10.19750985
  H     12.33546282      7.19936308    -15.37406937
  H     12.53003416      6.86833248    -13.10428208
  O     17.80568851      9.76018883    -15.67102962
  H     11.91478813      6.77293171    -16.80153564
  H     18.68280181     10.85451422    -11.56539510
  O     15.40499260      6.62286389    -16.41629514
  H     14.06017053      5.70995182    -11.28089163
  H     19.47819515     10.48484360    -12.82248883
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  O     15.47441729      9.33668088    -14.27818639
  H     15.20384488     11.66264019    -12.25429598
  H     18.71847560      7.90195257    -12.70951614
  O     11.50107802      9.75801058    -12.24717660
  H     15.42540099     10.23776005    -12.78904115
  H     15.33625593      8.51495595     -7.85871221
  O     16.99976997      6.15573659     -9.85292252
  H     17.36916608      7.75315857    -18.57060042
  H     14.89208615      8.60833681     -9.33377258
  O     11.93808666      7.32812421    -13.71594213
  H     16.38414759      7.65173356    -17.38242703
  H     15.62507172     11.19092323    -18.44115943
  O     19.10999371     11.23605993    -12.34216565
  H     15.03660164      3.60815375    -10.08434619
  H     15.75810400      9.67780871    -18.20966638
  O     18.03723927      7.60794627    -12.09295075
  H     15.65642154      5.01722560    -10.04854963
  H     14.30259933      9.62988920    -11.08829566
  O     15.65608646      8.45154039     -8.75552001
  H     17.00160966      9.64961068    -15.13865086
  H     12.84022195      9.18629381    -11.04140527
  O     15.11991179     10.40590290    -18.23977965
  H     17.63692634      9.29454026    -16.49765183
  H     15.03744468     14.03116268    -13.33774335
  O     13.70867791      8.98720873    -10.67020592
  H     14.44747069      6.74244603    -16.42793736
  H     15.87911734     12.83760409    -13.83936301
  O     15.01529307     13.08622933    -13.46261736
  H     15.64901392      6.49059554    -15.49008500
  H     13.95590669     10.11968569    -16.89860916
  O     13.44331735      9.86995306    -16.11684436
  H     20.57568239      8.74127005    -14.38477680
  H     13.07884246      8.99026520    -16.27610542
          69
 Energy    -247.99150799804715     
  O     17.75998258      6.43956420    -13.92907457
  H     17.55129655      7.17852373    -14.51172501
  H     18.44429311     11.25939673    -14.72491765
  O     18.86474804     10.44227343    -11.57481640
  H     17.96823777      6.82579812    -13.06433785
  H     14.92002928     11.03167685    -16.28953045
  O     17.55862284     12.61773990    -15.65235568
  H     19.68895967     10.81440381    -11.27351237
  H     15.57363458     10.57325313    -17.64772575
  O     15.63953597      4.81628484    -14.04838987
  H     18.88473809     10.46339137    -12.54910434
  H     14.23445593      9.25223544    -13.05053243
  O     14.46898698      9.64079025     -9.69006262
  H     16.94634618     12.03962747    -16.14045736
  H     15.03540363      7.99998850    -12.59313879
  O     14.67264696      6.31373295    -11.87295950
  H     17.84053048     13.29620549    -16.26030418
  H     12.34843350     10.44482343    -16.24298812
  O     12.52193180      9.87857617    -13.14862965
  H     15.86948288      3.90023764    -14.17399278
  H     11.03755317     10.28435608    -17.03843186
  O     13.48118616      7.99511311    -18.09064270
  H     16.47563016      5.31960350    -14.00922463
  H     18.45004738      8.59042822    -11.44431926
  O     15.97903313      7.22359846     -9.66596255
  H     15.01548418      8.85277491     -9.57847738
  H     17.50113115      7.56355521    -10.79414507
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  H     15.00546088     10.26565765    -10.19432450
  H     11.78443829      6.93153716    -12.93972640
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  H     11.84602653      7.49114418    -11.49210211
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  H     14.96819505      5.70673433    -12.56144183
  H     16.20579218     12.83298128    -14.26204890
  O     15.75738226     10.87059937    -16.74456306
  H     12.25422781      9.08603847    -13.63745181
  H     15.63434834     12.27145996    -12.94069994
  O     15.12134445      8.87374210    -12.99401558
  H     12.23455474      9.76752227    -12.23424484
  H     17.05984230     10.94053226    -11.43765804
  O     11.76717577      9.79339011    -16.66715521
  H     13.81309623      7.43434501    -17.37866637
  H     15.82840442     10.24826998    -12.05663375
  O     18.16292757      7.67071225    -11.48654503
  H     12.83468264      8.58579754    -17.68382537
  H     15.48141549      9.57579506    -20.06103973
  O     11.97788254      6.69560070    -12.02400850
  H     15.49915996      6.80925129    -10.40460276
  H     14.59470868      9.10552448    -18.89270023
  O     15.39589813     12.74798215    -13.74640005
  H     16.03819306      6.56855087     -8.97472135
  H     11.32536603      9.47436346     -9.86926257
  O     16.10586650     11.03012193    -11.55476537
  H     16.35889522      9.40529126    -15.84975441
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  H     13.06611070     10.94072322    -14.45722742
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  H     15.20065601      7.43321695    -15.63623760
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  H     14.78444099      6.00415423    -15.23981945
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  H     11.71314511      8.28919879    -15.43593370
          69
 Energy    -247.99135260696812     
  O      2.15463248     -1.67347772      4.11941615
  H      2.15054417     -0.71251637      4.00643433
  H      0.65414340     -0.05095518      0.51326059
  O      3.35937303      1.68783663      6.29418982
  H      1.57844370     -2.04711925      3.43908438
  H     -2.05508383      2.99094886      1.95417305
  O     -2.50751423     -3.72058915      7.25209801
  H      3.98326699      1.21098026      6.84115061
  H     -1.80933090      1.46359405      1.98911696
  O     -0.79160804     -0.30194259      9.30659176
  H      2.49612003      1.54445254      6.70811003
  H     -1.20537305      0.94715027      5.11375826
  O      2.02218972     -4.78645527      6.44034705
  H     -2.82271186     -2.87238324      7.58164581
  H     -0.91234346      2.03636400      4.06241218
  O      0.29035571     -2.61617769      2.33743515
  H     -1.61951201     -3.83721516      7.62099725
  H     -2.37947444     -0.84344897      1.98176446
  O      0.36234811     -4.76793515      4.21449023
  H     -0.28116238      0.26692026      8.71863870
  H     -1.45163932     -0.42548013      0.82464359
  O      3.83674436     -2.53019878      6.06561275
  H     -0.15845435     -0.92738054      9.67939947
  H      1.57571115      1.34358711      2.14837501
  O      2.98760407     -0.93628504      8.25763129
  H      1.51491018     -4.84322765      5.61491598
  H      0.26081180      1.88580657      1.57001654
  O      1.29938715     -2.12309763     10.06261420
  H      2.71045779     -4.12779481      6.30453256
  H      0.25075924     -2.43756934      6.79276134
  O     -2.29541351     -2.13432353      3.33454618
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  H      0.89627617     -1.84689878      5.48355040
  O      0.29723535     -0.87509999      0.13575667
  H     -0.59330126     -2.43270321      2.68755136
  H     -2.52794995     -4.28242844      5.61731375
  O     -1.47567275      2.32173382      2.30853124
  H      0.44188888     -4.18954886      3.44729060
  H     -3.03772735     -5.34808112      4.61939707
  O     -0.59467098      1.66707230      4.89637615
  H     -0.58142980     -4.79748679      4.41292189
  H      0.32081364      1.36113435      6.56807593
  O     -2.19171411     -0.12341126      1.36545261
  H      3.31474566     -2.24181051      5.29677840
  H      0.65996687     -0.09930840      6.88793478
  O      1.07868680      1.43592869      1.32456507
  H      4.71536011     -2.72022947      5.74529104
  H     -2.33595978     -0.79578072      8.61677096
  O      0.28054507     -1.67303196      6.20472290
  H      3.28835156     -1.49069740      7.52370322
  H     -3.87912076     -0.78781295      8.70564881
  O     -2.47694731     -4.58018948      4.69114931
  H      2.37559117     -0.29289372      7.88569005
  H      0.82454397     -4.25058687      7.59609840
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  H      1.70803116     -2.30195160     10.90556120
  H      0.53286902     -3.33135633      8.83409581
  O     -3.15068593     -1.05566640      8.15182554
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  H      1.10554380      1.26540824      4.26362730
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  H     -2.46194479     -3.01383127      3.69750037
  H      2.61183691      1.37380222      4.62973352
  O      1.99948996      1.07457440      3.94473248
  H     -2.33683529     -1.52588205      4.08598564
  H     -2.64836573     -0.62085597      6.39504611
  O     -2.11931673     -0.54486847      5.59267354
  H      0.57327166     -0.90384164     -0.77611375
  H     -1.29946760     -1.03395423      5.77472892
          69
 Energy    -247.99118274343220     
  O     16.84682500     10.13395421    -11.32654064
  H     16.08290878      9.76601871    -11.79319181
  H     13.38461297     10.64777720     -9.37061870
  O     14.69085492      5.73411978     -6.58518619
  H     17.58907522      9.52027614    -11.42025321
  H     12.94078861     10.28970842     -5.55165473
  O     17.34700674     12.70891582    -10.65627174
  H     14.76120799      5.01169191     -5.96769276
  H     13.54677528     10.16458255     -6.96838418
  O     12.49278797      7.34455238     -7.46038478
  H     15.10510870      6.50880140     -6.16320019
  H     15.33931252      5.97200600     -8.31253785
  O     14.69934258      8.95945462    -12.56841402
  H     17.14106086     11.80624387    -10.95691266
  H     15.73714118      7.27223844     -9.05627378
  O     18.92459867      8.32996710    -11.33914837
  H     17.31737782     13.26972601    -11.42684670
  H     19.53752713      7.57836970    -14.39372616
  O     19.99204479      9.23537686     -8.84965881
  H     12.70976327      8.14487471     -6.96807928
  H     18.96674037      8.25566019    -13.14250327
  O     17.64355233      5.98180422    -11.08876609
  H     13.14700259      6.68982695     -7.18843910
  H     17.07842604     12.35180617     -7.07381682
  O     11.61687642      7.52794401    -10.02744523
  H     15.11321143      8.71343041    -13.40543437
  H     17.86309948     12.67663912     -5.77752888
  O     15.86220497     12.74776866     -8.22434097
  H     14.45355577      8.13036314    -12.13127563
  H     16.09347304      8.11054385    -15.71209267
  O     12.63473457     10.06631640    -10.89488341
  H     18.50581888      7.45929407    -11.21884710
  H     17.12794177      8.10889249    -14.56392733
  O     13.93073182     10.74732910     -8.57866113
  H     19.35572925      8.56951240    -10.51237754
  H     16.37688949      9.42928193     -9.72468539
  O     13.43530387      9.70384644     -6.11902880
  H     20.91396265      9.10291022     -8.64138496
  H     16.68612147      9.14706794     -8.21540140
  O     15.62093145      6.31619472     -9.16709285
  H     19.85552125     10.19776614     -8.92083879
  H     18.81471165     12.23592682     -9.55272755
  O     18.84237385      8.16353905    -14.10030446
  H     17.03035287      5.96919938    -10.34289948
  H     19.00167608     12.06091178     -8.03644713
  O     17.83620584     12.08263776     -6.52215764
  H     17.11658747      5.75293745    -11.86735853
  H     16.51589618      8.42840951     -5.91712744
  O     16.18056688      8.02611693    -14.76604231
  H     11.91530001      7.45971018     -9.10313740
  H     15.00072961      8.67781720     -5.69050253
  O     16.03122680      9.02977636     -8.91560932
  H     10.70879706      7.23737757    -10.04316964
  H     14.49927513      6.40841937    -10.57803142
  O     19.41987210     11.88326048     -8.88845607
  H     16.28558488     12.83930315     -9.08717706
  H     13.05952221      6.80850333    -10.97327768
  O     15.70821797      8.03149091     -5.56894174
  H     15.10737616     12.15802479     -8.35171722
  H     17.90465432     10.25265121     -6.67022480
  O     13.92352254      6.58224387    -11.33744981
  H     12.20209332      9.24044382    -10.64170056
  H     18.66419834      9.14673941     -7.45522560
  O     17.90180310      9.30909153     -6.88604364
  H     13.27715136      9.82900743    -11.57496382
  H     15.92121375      6.32837174    -13.81839365
  O     15.83780331      5.59505058    -13.19873842
  H     14.65097181     10.10406784     -8.67288124
  H     15.06185544      5.79656722    -12.65819162
          69
 Energy    -247.99096419329410     
  O     16.56206549      9.59424146    -16.66585571
  H     16.72924854      9.39312962    -15.73538903
  H     17.85957335     10.37485290    -17.54152794
  O     15.46765873     13.16670225    -16.34455394
  H     15.66450775      9.94540629    -16.70134793
  H     15.44415349     13.32985756    -12.08949701
  O     17.93170542     10.22394988    -10.51868808
  H     14.86261263     12.44408056    -16.54598207
  H     14.09182067     13.48274028    -11.36502441
  O     19.34272659     12.56243081    -11.34601851
  H     16.11428054     12.80463137    -15.71729768
  H     19.30210725     16.03786638    -13.26637536
  O     13.65427185     10.96971894    -13.83497204
  H     18.37761480     11.07448963    -10.62047707
  H     20.55246486     15.27644746    -13.72189824
  O     15.46249705     10.19429245    -11.73506516
  H     18.45326507      9.60108125    -11.03931963
  H     20.45216983     11.13993162    -14.10011455
  O     17.04627612      9.44994245    -13.88524958
  H     19.99366988     13.20576269    -11.03742949
  H     21.54413245     11.55490810    -13.08179969
  O     17.74848697     13.59201332    -17.92828552
  H     19.78989172     12.02397787    -12.01243861
  H     18.64229617     14.86867392    -17.15361795
  O     21.27810588     14.53537130    -10.90133644
  H     13.81865374     11.81653705    -13.40041948
  H     19.15360393     16.32237983    -17.27590148
  O     19.75769898     11.78836364    -15.61808164
  H     14.06294175     10.33065737    -13.24117054
  H     20.68766025     13.34250218    -15.33191840
  O     13.96033848     10.80399816    -16.52532242
  H     16.26168118     10.16354823    -11.18609004
  H     20.54859840     14.79868775    -15.76360356
  O     18.59209849     10.84017920    -17.98408835
  H     15.14825332     11.10578492    -11.68930919
  H     16.72161412     15.91358753    -14.48608676
  O     14.56784338     12.92641197    -11.97639594
  H     16.43446427      9.62149973    -13.15449846
  H     18.15010775     15.75795235    -15.04467822
  O     20.20318455     15.82126756    -13.00231109
  H     17.85870724      9.11203808    -13.48875953
  H     22.30210393     13.55639202    -12.24631819
  O     20.78858668     10.96330982    -13.20959216
  H     16.88066270     13.50446359    -17.51180504
  H     22.26159915     13.52315538    -13.78765452
  O     19.09521309     15.58480077    -16.67398101
  H     18.07256851     12.69153276    -18.04558375
  H     19.99696689      9.47307148    -12.72646086
  O     21.05103767     14.22491444    -15.17097327
  H     21.62246929     15.12055306    -10.23288509
  H     19.96005324      7.95534478    -12.43003450
  O     17.65221866     15.86071558    -14.22324758
  H     20.87998163     15.09624322    -11.59320884
  H     17.16130707     11.22172287    -14.28901246
  O     22.57161995     13.03614244    -13.01313069
  H     19.57220697     11.40315710    -16.48132667
  H     17.21382834     12.69132287    -13.74568394
  O     19.41040574      8.73174481    -12.49605903
  H     18.89067335     12.01930806    -15.24894179
  H     15.12208892     14.78514368    -15.60935405
  O     17.27583682     12.14806052    -14.54056748
  H     13.80718872     10.83072876    -15.56349629
  H     14.30881008     16.08698400    -15.51158135
  O     15.07166634     15.64065509    -15.15352072
  H     13.15111394     10.49509344    -16.92350280
  H     17.36199368     14.58960611    -12.93619631
  O     17.11369925     13.84792201    -12.36716603
  H     18.84153131     10.30656380    -18.73357958
  H     17.90968246     13.48824443    -11.95078116
          69
 Energy    -247.99074261517296     
  O     11.67622738     10.91075014    -14.79651193
  H     12.28350993     11.00780516    -14.04650803
  H     16.12124490      5.20767938    -14.90752566
  O     14.64851059      5.54836482    -17.65082082
  H     11.84567746     11.65226954    -15.37267559
  H     15.42153600      7.83323354    -10.03214473
  O     13.77995294      5.82735730    -11.84629211
  H     14.57760000      5.45959330    -18.59719399
  H     15.12614406      6.55885372    -10.86898393
  O     18.18260961      5.60345711    -10.61993817
  H     14.30258793      6.42958074    -17.42304470
  H     14.57220692      8.14914733    -13.87889353
  O     13.27216055      4.11805449    -15.56601013
  H     12.86908685      5.53478414    -11.72800375
  H     13.67304914      9.05348578    -12.98866095
  O     13.82390650      7.99908827    -16.79148454
  H     13.73993085      6.65930385    -12.34512303
  H     10.47307658      4.53739712    -11.54753469
  O     14.60753577      9.37033951     -9.56008499
  H     18.76019591      6.20608021    -11.10203025
  H     10.99546442      5.21631557    -12.83943685
  O     19.58433882      7.31919725    -12.49649064
  H     17.37458334      6.10233920    -10.43128644
  H     10.70825821      8.14419157    -12.98880013
  O     11.57085642      8.16271624    -14.88787183
  H     13.96022542      4.02489200    -14.89517896
  H     10.71273469      7.09175703    -11.86862541
  O     17.67962665      3.51334044    -12.27231650
  H     13.70059716      4.51123973    -16.33501504
  H     16.06591669      3.92390725    -13.10914284
  O     18.93132141      5.28734482    -14.15704213
  H     13.01234734      8.08447462    -16.27994267
  H     14.77976106      4.78617762    -12.94480685
  O     16.58025335      5.68431466    -15.61686215
  H     14.54308160      8.31153623    -16.22777821
  H     11.10896014      6.29396826    -14.84086524
  O     15.83982381      7.09837077    -10.50306833
  H     13.66740242      9.45850789     -9.75922456
  H     11.78778121      4.90089357    -14.94399690
  O     13.80509560      8.14655450    -13.28969747
  H     15.05580946     10.03881717    -10.09119670
  H     11.24005401     10.21124710     -9.83744103
  O     11.03142826      5.24158011    -11.86373173
  H     20.51964664      7.49649239    -12.54307896
  H     11.43715166      9.16523967    -10.95726047
  O     10.65709263      8.04215456    -12.03369980
  H     19.39935836      6.61552995    -13.14526408
  H     16.28328060      7.40721509    -15.18038838
  O     15.31446842      4.29736895    -13.58592608
  H     11.46180178      9.12135932    -14.97411526
  H     16.50689018      8.51984352    -14.12113747
  O     11.05130086      5.38150970    -14.53596021
  H     12.34492705      8.03329934    -14.31596702
  H     14.25053098     11.03599025    -12.25920088
  O     11.89644339      9.83199072    -10.41628136
  H     17.97418371      2.69155495    -11.88929759
  H     12.82250714     10.62720630    -11.78235036
  O     16.00108589      8.29489792    -14.91287194
  H     17.84695054      4.20889490    -11.61111092
  H     16.59865162     11.70973736    -11.37941271
  O     13.35526228     10.83859070    -12.56262264
  H     18.60698727      4.57229574    -13.59559717
  H     16.45800931     10.25170336    -11.87221789
  O     15.96110832     11.01902715    -11.54182932
  H     18.23461339      5.44241248    -14.80902610
  H     18.06423833      8.33389436    -12.43241336
  O     17.16953467      8.69399142    -12.37898458
  H     16.05550764      5.56109906    -16.41694103
  H     16.67194001      8.11059066    -11.78629189
          69
 Energy    -247.99059110251622     
  O     12.41374622      8.04522717    -16.97037819
  H     13.29785196      8.41526524    -16.85597503
  H     14.28155499      5.62539263    -15.96632611
  O     18.61285718      5.90310838    -12.04084350
  H     12.54504811      7.10952459    -17.17026535
  H     20.41099455      9.77043713     -8.91671329
  O     17.23943633      9.31743130     -9.30481829
  H     19.33404799      6.54290574    -11.99302701
  H     19.03283588      9.24386461     -9.34204397
  O     19.30748271      9.64618847    -13.86132546
  H     18.27817132      5.95786846    -12.94623825
  H     17.10352170      9.77262078    -12.27523653
  O     12.81089848      5.20151306    -17.05136815
  H     16.37554893      9.73657223     -9.21738835
  H     17.65350615     10.31920594    -10.96502475
  O     13.12711592      8.11106434    -10.13978725
  H     17.06535698      8.40136450     -9.57427748
  H     16.66520529      7.69261922    -13.32673270
  O     13.32149482      5.90712225    -12.98545522
  H     18.79359104     10.16843122    -13.23088244
  H     16.26557181      7.79108874    -11.83585222
  O     14.96748258     11.66677227    -11.83370903
  H     19.81542931      9.03414101    -13.31549523
  H      9.70516485      8.42535048    -15.34142705
  O     17.45594062      6.50396110    -14.53838291
  H     12.20334174      5.11793726    -16.29390989
  H     11.16736088      8.10344977    -15.72904661
  O     14.15340703      5.62609541    -10.28567556
  H     12.61048661      4.48641972    -17.64849881
  H     17.37043348      6.37051557    -10.85505446
  O     20.59958209      7.96412544    -11.92980176
  H     13.61605503      8.90090454     -9.88196739
  H     15.90697611      6.27012902    -10.27444447
  O     14.85979793      6.00023518    -15.29167402
  H     12.66019742      8.31961909    -10.96002935
  H     10.84122850      6.11879100    -14.84377311
  O     19.97930222      9.20489802     -9.55243916
  H     13.64787434      5.65815383    -12.11388188
  H     11.91169907      5.30214551    -14.09809663
  O     17.54883987     10.54718596    -11.89531013
  H     12.92649926      6.78621022    -12.89053075
  H     14.68844030     10.92410033    -10.27519362
  O     16.20545504      8.24688897    -12.68463784
  H     15.92021744     11.51847763    -11.90926773
  H     14.22195952     11.05831364     -8.80826764
  O     10.50192380      8.00868637    -15.02406170
  H     14.57975669     11.19532980    -12.58259238
  H     15.00350357      7.75415302    -15.87898781
  O     16.69143101      6.82765242    -10.33337145
  H     16.60614699      6.16580836    -14.85643899
  H     16.02983973      8.84318550    -16.25257118
  O     11.26717215      5.25245514    -14.81715974
  H     17.73257942      7.19359811    -15.15451594
  H     11.44062949      8.33889436    -13.43636066
  O     14.62121052     10.45127929     -9.42677886
  H     13.76159123      6.51070428    -10.15427194
  H     12.81240335      8.98954976    -13.13188149
  O     15.08410851      8.65925220    -16.21644048
  H     13.75792951      5.04843859     -9.63838048
  H     14.89569104      9.23702088    -13.31842914
  O     12.11857315      8.42608766    -12.75578219
  H     20.40142542      8.41127865    -11.08956176
  H     14.42584417      9.60412184    -14.72701375
  O     14.24959576      9.78305311    -13.79624388
  H     21.52384496      7.72789696    -11.89923983
  H     18.44746587      9.18715477    -15.30426747
  O     17.95956671      8.83319362    -16.06968014
  H     14.37642603      5.95825989    -14.45332978
  H     18.50976203      8.98805860    -16.83345397
          69
 Ord_Energy   -247.990402    
 O   -8.36824036       2.99534845     -0.919257998    
 H   -7.97443867       2.35658050     -0.314568758    
 H   -8.41877079       2.55249333      -1.77538097    
 O   -7.92711878       5.45888424       1.79412472    
 H   -7.66464901       5.59924269      0.871054828    
 H   -8.85280514       5.68775988       1.83583367    
 O   -5.50923920       2.29031372      -3.46429658    
 H   -5.21225929       2.21141028      -2.54439759    
 H   -4.82646465       1.88610494      -4.01276827    
 O   -1.98615122       1.32626569     -0.688287616    
 H   -1.78630364      0.382547081     -0.716818631    
 H   -1.72942519       1.66968572      0.177258521    
 O   -1.54384124       2.49807715       1.79777372    
 H   -2.39703727       2.29067349       2.21934915    
 H  -0.886410952       2.47096825       2.48774743    
 O   -6.74895477       1.15102601      0.609863758    
 H   -6.00061083       1.46059656       7.21525475E-02
 H   -6.38525152      0.506951034       1.23176146    
 O   -5.31292057     -0.585852742       2.25741410    
 H   -4.85853243      -1.08370018       1.55387127    
 H   -5.56962490      -1.21907234       2.92250514    
 O   -8.13141251       1.59607983      -3.38576579    
 H   -7.20138073       1.86281621      -3.49650145    
 H   -8.57307243       1.77363288      -4.21151161    
 O   -3.33109784       1.12434244      -4.78519630    
 H   -2.72574615       1.66982543      -4.24754047    
 H   -3.02266955       1.17602718      -5.68564558    
 O   -3.93688464       1.84258735       2.90460134    
 H   -4.30433559      0.967999578       2.72882509    
 H   -4.69869804       2.43291950       2.96147776    
 O   -4.79886436       4.55145979      0.521568835    
 H   -5.51025915       4.95500612       6.35873014E-03
 H   -5.21030045       4.19038439       1.31620681    
 O   -1.79365170       2.60553503      -3.17087245    
 H   -1.97333920       3.53902340      -3.00523949    
 H   -1.74813831       2.18230700      -2.30269742    
 O   -2.10194659       4.86267567      0.209318757    
 H   -3.05446124       4.88369083      0.392558128    
 H   -1.76332331       4.13730907      0.743159652    
 O   -4.64066267       2.12879157     -0.849405766    
 H   -4.62708855       3.00815535     -0.446150035    
 H   -3.74273539       1.77635014     -0.801749229    
 O   -7.52023172     -0.509536922      -1.60900152    
 H   -7.35972786      -1.03241699E-02 -0.800051391    
 H   -7.82204819      0.131163165      -2.26537919    
 O   -3.14434981      -1.26971233      -3.25033259    
 H   -3.25154710     -0.489568681      -3.80665207    
 H   -4.02828360      -1.57276523      -3.00518012    
 O   -1.63519585      -1.41752899      -1.03093565    
 H   -2.11446714      -1.38643527      -1.88082027    
 H  -0.870818317      -1.97083557      -1.16349435    
 O   -5.24197340       5.09799910      -2.93956065    
 H   -4.29538155       5.20730066      -2.78867769    
 H   -5.35425568       4.19295835      -3.25496912    
 O   -6.32636356       3.31250381       2.51359034    
 H   -6.63461161       2.60517478       1.93407023    
 H   -6.94547319       4.05050755       2.40685391    
 O   -5.57033014      -2.27287459      -2.19436646    
 H   -5.98329401      -3.09192634      -2.45562482    
 H   -6.29011250      -1.64149690      -2.01937628    
 O   -2.39922452       5.27378798      -2.45342517    
 H   -2.23221636       5.14850950      -1.50221753    
 H   -1.92587876       6.06161070      -2.70909214    
 O   -7.04213047       5.40612555     -0.870575190    
 H   -7.55736732       4.58538008     -0.929108739    
 H   -6.49054432       5.44609118      -1.66555893    
 O   -4.13012695      -1.91460156      0.239674896    
 H   -3.22438288      -1.78920877      -6.66416585E-02
 H   -4.65110111      -2.09661627     -0.552197695    
          69
 Energy    -247.99027747096278     
  O     12.56915462     10.00961170    -14.85753893
  H     12.26977461      9.13736427    -15.16681273
  H     19.85894391      7.64974504    -16.03935451
  O     15.32287291      6.41457258    -14.66290931
  H     12.77914490     10.52727144    -15.64551045
  H     16.33499560     12.42956467    -15.40322401
  O     17.94871415      8.68916644    -11.53254761
  H     14.95765304      6.24122228    -15.53727030
  H     14.97388693     12.51689838    -14.67042774
  O     18.17550175     11.91494872    -15.27235992
  H     15.25356122      7.37474812    -14.53241076
  H     14.30440547      9.41293837    -14.59447144
  O     11.93393372      7.47838776    -15.59004747
  H     17.85476148      7.95405157    -12.15548823
  H     15.40179584      9.46906877    -13.50341785
  O     15.03466110      8.29886542     -8.38331368
  H     17.90264332      8.30358707    -10.64917808
  H     11.42646793      8.00572280    -12.61311560
  O     14.19144752      5.83480413    -12.21148896
  H     18.82346832     12.57980696    -15.49129043
  H     11.81067213      9.39328647    -13.15747434
  O     15.57371052     10.09947269    -11.83048038
  H     18.56509345     11.37361675    -14.56348436
  H     16.91519985      5.94346954    -10.30425887
  O     14.94812933      8.92757582    -17.86156939
  H     12.58966436      7.04623781    -16.15017923
  H     17.16209100      5.61613824    -11.78679299
  O     17.19253929      9.46872513    -16.24509069
  H     11.79585106      6.90663259    -14.82485222
  H     11.00992287      5.43650285    -12.80046038
  O     14.07171714      6.45344563    -17.18064042
  H     14.49714259      8.27777626     -9.19185407
  H     12.47040906      5.93105958    -12.72273734
  O     19.27447285      7.91273767    -15.33307623
  H     14.61001075      8.92433072     -7.80176974
  H     19.48674662      9.40326914    -14.08958835
  O     15.39505173     12.58435358    -15.54072567
  H     14.95071578      5.54041172    -11.68787023
  H     18.91744669      9.78478921    -12.71637658
  O     15.19221928      9.10634682    -14.37377624
  H     14.52915504      5.97512682    -13.10831461
  H     18.41408782      6.88776086    -14.01030937
  O     11.60101342      8.91739549    -12.34577428
  H     14.93969480      9.50087924    -11.41027010
  H     16.95967218      6.40433364    -13.85195575
  O     16.62270437      5.37160618    -11.02338233
  H     16.45114785      9.73252239    -11.66112130
  H     18.00529357      7.15101236     -8.32607524
  O     11.59719847      6.12576822    -13.10093708
  H     14.43174868      9.72696153    -17.70097454
  H     16.62881276      7.68999310     -8.78192051
  O     19.30386412     10.15912369    -13.51844199
  H     15.81935357      9.10319583    -17.48298848
  H     13.18682537     11.97314743    -17.68391915
  O     17.78248486      6.55042075    -13.36347042
  H     17.54192223     10.35716303    -16.09985955
  H     14.28560413     11.81558670    -16.60525288
  O     17.48171581      7.34568687     -9.09903401
  H     16.48596947      9.35248486    -15.58979460
  H     12.95839916      8.58539056    -11.23143032
  O     13.60271181     11.33553921    -17.10981871
  H     14.37619744      7.33075691    -17.47630036
  H     13.96726950      7.41075313    -11.26100497
  O     13.76580139      8.24573656    -10.81874007
  H     14.00206184      5.90992765    -17.96061153
  H     13.36366845     11.45908325    -13.54910247
  O     14.03116941     12.04868397    -13.18463018
  H     18.53528544      8.39370610    -15.74328361
  H     14.57917311     11.50168718    -12.60495039
          69
 Energy    -247.98994864303478     
  O     -2.13980042      2.31367265      1.61291603
  H     -1.32787362      2.01907859      1.16641608
  H     -2.57637315     -3.64246604     -0.88449059
  O     -2.68820803     -0.47314072      6.10792461
  H     -2.25457943      3.22915361      1.37398108
  H     -1.08119244     -6.19516374      1.33574595
  O      2.14575921      0.50694343      2.29430888
  H     -2.75874993     -0.08619991      5.22397934
  H     -2.32131874     -7.08759464      1.07276668
  O     -2.71864053      0.33821222      3.40198199
  H     -1.78117166     -0.79074627      6.19550510
  H      2.80053814     -1.29894839      2.52327381
  O      2.25449653     -3.09737679      5.24882081
  H      1.38200778      0.32570832      2.87115266
  H      2.71899366     -2.76577819      2.04002558
  O     -4.31985531     -2.59973910      6.39229304
  H      2.63602562      1.21510818      2.70633651
  H     -0.56798602     -1.76409605      0.98425532
  O     -0.19299816     -1.89633008      5.90528270
  H     -3.18711521     -0.35798644      2.92517670
  H     -0.22962055     -1.56827840      2.49246879
  O      0.45071077     -5.25801957      4.61794531
  H     -2.61912043      1.09077116      2.79919967
  H     -1.64792009     -3.38378755      2.31627110
  O     -5.94277636     -2.01602741      4.16440441
  H      2.53333020     -2.77913506      4.37224028
  H     -2.37787510     -4.74411713      2.10318425
  O      0.11539056      1.33447545      0.40504391
  H      3.05257586     -3.29390531      5.73277569
  H      0.95482789     -3.23768627      1.25055271
  O      0.48876567     -6.01629879      1.95309644
  H     -4.55789011     -2.71337974      7.30885034
  H      1.46159714     -3.64707404     -0.13996148
  O     -1.96100136     -4.34829417     -1.11317431
  H     -3.77423638     -1.79270860      6.34033091
  H     -4.83625171     -1.84287882      2.75227183
  O     -2.00742110     -6.18933416      1.02623885
  H     -0.81307385     -2.61575516      5.71370464
  H     -3.54633223     -2.58606806      2.32247367
  O      2.98207556     -2.20913251      2.78474334
  H      0.69281903     -2.27342346      5.82292233
  H     -0.38486633     -3.79354639     -1.58346788
  O     -0.42027938     -2.23075208      1.81747602
  H     -0.38992843     -4.95252139      4.97827961
  H      0.71514168     -3.61145057     -2.65856469
  O     -2.41243702     -3.91434392      2.59279710
  H      1.09969618     -4.58197456      4.84616135
  H     -0.02685603     -0.77814079      4.52604159
  O      1.67136354     -3.71198990      0.79824283
  H     -5.43224594     -2.27484115      4.94626790
  H     -0.95153904      0.05753197      3.59290558
  O     -4.09136056     -1.80575772      2.13664428
  H     -6.67005807     -1.49020402      4.48967759
  H     -1.74108627     -1.28327577     -0.74467680
  O      0.46252762     -3.35143380     -1.77687697
  H     -0.15986500      0.54624492     -0.08312044
  H     -0.31583293     -1.75190554     -1.17459648
  O     -0.03962275     -0.23724833      3.72475183
  H      0.88665718      1.07736767      0.92204015
  H     -3.75426114     -1.84049987      0.38915192
  O     -0.80030059     -1.06808671     -0.69366320
  H      0.50351667     -5.82421171      2.90276297
  H     -4.22806035     -1.66871900     -1.06925868
  O     -3.48277403     -1.93981433     -0.53842952
  H      1.03050704     -5.34094073      1.52816584
  H     -2.82942885     -3.64063266      5.73123565
  O     -2.01251357     -3.93579217      5.31493098
  H     -2.02774235     -5.01836420     -0.42076258
  H     -2.19090136     -3.96621174      4.36257073
          69
 Energy    -247.98981151163451     
  O     -2.58582664     -0.59734835     -3.46242548
  H     -1.82066064     -0.28243078     -2.95362077
  H     -1.09117999      0.42643338      6.46194167
  O      0.26251868     -1.59855082      3.94221984
  H     -2.43732243     -0.33516433     -4.36778116
  H     -0.71427064      3.72611100      0.72606128
  O     -4.55045241     -0.45881722     -1.39110109
  H      0.62524202     -1.28957765      3.09943530
  H     -0.03253445      3.05652618      1.93321152
  O     -2.22846280     -3.28254309     -2.38818006
  H     -0.04526422     -0.83152026      4.43558535
  H     -1.90896745      1.00646069     -0.87801515
  O     -0.18374370     -2.40749554     -0.70450099
  H     -4.40511202     -1.33118603     -0.99274643
  H     -3.44102237      0.80784707     -0.74601176
  O     -3.18917247      3.50621692      3.00605827
  H     -4.06327457     -0.46935322     -2.22415974
  H     -2.35417139      0.67305660      1.18202830
  O     -4.17742122     -2.67330532      4.06723991
  H     -2.93311754     -3.33748537     -1.72959816
  H     -1.44561053      0.92114376      2.41151673
  O     -0.54764903      0.13893902     -1.71018821
  H     -2.40848386     -2.47972775     -2.89079455
  H     -4.79291954     -3.02000907      0.43199607
  O     -5.47568621      1.77692408      3.17900835
  H     -0.72742024     -2.45847250      0.09699123
  H     -3.28330559     -2.75827370      0.35600078
  O     -3.54374548      0.05599070      4.28431205
  H     -0.70944289     -2.85580959     -1.38183285
  H      1.34854994     -0.05442383      0.91147697
  O     -2.58023822      3.99618097      0.26375121
  H     -3.98734594      2.96548496      3.03734168
  H      0.96275473     -1.51413514      0.68250445
  O     -1.08401597      0.45354668      5.50841226
  H     -3.08278204      3.78513123      2.08757324
  H     -1.61458001      2.78302587      3.40632327
  O      0.12473687      3.36073390      1.02736371
  H     -4.01625977     -1.73889023      4.25539405
  H     -0.72272015      1.82578565      4.25655453
  O     -2.70590870      1.36886165     -0.46571523
  H     -3.31123500     -3.09689796      4.09486038
  H      1.01788164      2.18919280      0.14556829
  O     -2.03274354      0.27426819      1.99978213
  H      0.19125333      0.66234232     -1.37423105
  H      2.35164112      1.77962062     -0.52270922
  O     -4.06770601     -2.91163749     -0.19414449
  H     -0.41616869     -0.75810637     -1.36630565
  H     -1.06076442     -4.45560082      4.11139840
  O      1.21262689     -0.88919227      1.37295642
  H     -6.33907872      2.10293957      3.41931315
  H     -0.81865406     -2.93243586      3.97815737
  O     -0.75693986      2.32525638      3.43381602
  H     -5.60596830      1.17708041      2.42310144
  H     -1.77654372     -2.93034168      2.21466406
  O      1.46922356      1.47163429     -0.33398046
  H     -4.28307456      0.65709627      4.13757012
  H     -1.86635751     -1.47718537      1.66080108
  O     -1.49183320     -3.63361795      3.89447073
  H     -3.05386759      0.05715022      3.44586142
  H     -6.66119427     -3.24804608      2.21771252
  O     -1.90645376     -2.41250340      1.41244022
  H     -2.68289674      3.08121772     -0.05036987
  H     -5.27999397     -2.76816814      2.71876323
  O     -5.89040645     -2.74939792      1.96014098
  H     -2.94220316      4.56277375     -0.41251739
  H     -5.54776178     -0.04453722      0.23603194
  O     -5.82463381     -0.00766759      1.15788521
  H     -1.99843838      0.30262397      5.21682502
  H     -5.89686333     -0.92573406      1.44994487
          69
 Energy    -247.98979987207957     
  O    -12.51320579     -0.30757644      1.37652113
  H    -13.26549594     -0.70763846      0.94896709
  H     -9.06618529      6.75297106      2.63639702
  O     -9.80724396      6.61704166      0.96223327
  H    -11.76342762     -0.38382019      0.75858302
  H     -9.89587381      0.48699349      0.01848650
  O     -9.57252709      0.66811190      4.89285747
  H    -10.05166264      7.27654998      0.31899120
  H     -9.61246576     -0.98312842      0.35256413
  O     -5.85817375      6.46642893      3.47424180
  H    -10.61114663      6.09675196      1.14952589
  H    -11.39638930      2.79660539      3.66692254
  O    -10.39020070      7.09285692      5.63603987
  H    -10.14437706      1.44295621      4.84604608
  H    -10.13137400      3.45129129      4.27085414
  O     -5.24612448      4.40521863      5.40117238
  H    -10.04153148     -0.06603583      4.46720898
  H     -6.96656429      1.35352095      2.93238708
  O     -7.79379115      0.96357989      6.96984512
  H     -5.65337676      5.87897669      4.21224152
  H     -8.26291287      0.76020823      3.58159706
  O     -8.44289352     -1.70146378      1.71552494
  H     -6.79699937      6.68442078      3.54338575
  H    -12.01869394      4.21621749      1.57674304
  O    -10.73992190     -1.29643624      3.40669538
  H    -10.36528799      7.99204812      5.95305979
  H    -12.25420451      5.43657755      2.48765891
  O     -5.44112240      4.96285701      1.25653135
  H     -9.76342631      7.03742100      4.89567505
  H     -7.55959926      2.71872396      6.85686343
  O    -11.76540463      2.35651510      1.96544994
  H     -6.01552697      4.19164345      5.95665346
  H     -8.38840587      4.04041101      6.94308906
  O     -8.68864068      6.64351962      3.51917297
  H     -4.48260378      4.38494671      5.97265825
  H     -8.63463777      5.20785546      0.51988442
  O    -10.23647416     -0.41016369     -0.10970350
  H     -8.44058327      0.76489738      6.27312938
  H     -7.18261854      4.66980641      0.57864678
  O    -11.00250725      3.09131215      4.50239288
  H     -7.93263347      0.31137307      7.65197536
  H    -12.08170618      4.71621858      4.46668809
  O     -7.67734917      0.71066072      2.81262444
  H     -7.74189747     -2.34761386      1.69062359
  H    -11.87364707      6.20515075      4.77309310
  O    -11.97995686      5.17940595      1.59509070
  H     -8.05728733     -0.88549635      2.07698541
  H     -5.72645426      3.47351534      2.35758300
  O     -7.53134783      3.67164727      6.68264220
  H    -10.01755455     -1.60117690      2.84358793
  H     -5.61485822      3.28900252      3.88933255
  O     -8.09092452      4.42516406      0.36941676
  H    -11.43679245     -1.00467067      2.80606678
  H     -8.68991940      1.59495821      1.51840024
  O    -12.44763762      5.59325926      4.29785424
  H     -4.69313872      5.26256349      0.74734791
  H     -8.84259043      2.86122158      0.61881536
  O     -5.97345380      2.88919831      3.08643949
  H     -5.54709375      5.58329773      1.99987395
  H     -7.70946444      3.58301257      3.51654511
  O     -9.26089006      2.02460062      0.86993193
  H    -10.88195102      2.28927230      1.57007819
  H     -8.15675094      3.86049073      4.96970001
  O     -8.42563780      3.95257469      4.04409164
  H    -12.19667994      1.51043929      1.80222945
  H    -10.23139087      5.46073308      6.58291698
  O    -10.09784828      4.56090267      6.90910716
  H     -8.61839299      5.68786577      3.66975996
  H    -10.60217067      3.98929659      6.32052710
          69
 Energy    -247.98979355900070     
  O     15.09798745     10.13000403    -13.76853475
  H     15.39338183     10.29483911    -14.68289084
  H     18.81895803     11.66674863    -10.29175551
  O     17.42169388     15.69701070    -16.62820920
  H     14.29344225      9.62217513    -13.82995454
  H     21.49079602     16.80463276    -12.97128377
  O     20.40928766      9.75689381    -15.85784259
  H     18.04960784     15.04991739    -17.00109625
  H     19.95097497     16.74108296    -13.01662817
  O     19.47342053     13.31412370    -10.57579159
  H     17.21178649     16.31402222    -17.32334175
  H     20.91282454     12.51099028    -11.45995529
  O     20.90620191      9.48614086    -11.25529791
  H     20.84950347     10.52252425    -15.45953698
  H     21.57515644     11.12118766    -11.63368861
  O     18.60337114     10.95967640    -17.48640568
  H     20.24036898      9.14483170    -15.13329941
  H     17.80532923     10.20051854    -11.91333803
  O     20.96997116     14.69880207    -15.33167232
  H     18.76462039     13.63357140    -11.15536754
  H     16.73042784      9.90838860    -13.02963029
  O     20.98175354     15.63057517    -10.11311322
  H     19.96804124     14.09119055    -10.28712357
  H     19.03395688     12.86747066    -17.37452383
  O     21.20977575     12.06646610    -14.58209658
  H     20.63397628      8.97866561    -12.02978239
  H     19.94863635     14.00440711    -16.82070457
  O     15.05992076     12.98210297    -12.99615253
  H     20.09113581      9.76953031    -10.82411318
  H     23.11320650     15.39875943    -13.10779058
  O     16.00338313     10.78169626    -16.24967050
  H     19.23767599     10.49071259    -16.91630656
  H     23.84204779     16.36793466    -14.06921297
  O     18.46878530     10.76109619    -10.26144430
  H     18.74080985     10.62625039    -18.37030669
  H     18.19324254     15.95960089    -14.92160724
  O     20.69745875     16.97730941    -12.44984910
  H     20.19640894     15.07540350    -14.88912524
  H     18.21836202     15.33481807    -13.49384251
  O     21.66563396     12.05725918    -11.86163387
  H     21.73738638     15.15776698    -14.96718500
  H     22.52595412     14.84887215    -11.00725599
  O     17.67323575      9.88524284    -12.81700719
  H     20.82501274     16.15919425    -10.91679872
  H     22.79436978     13.52630121    -11.73947515
  O     19.19733259     13.81752521    -17.39799912
  H     21.04979998     16.24662837     -9.38861126
  H     19.43217129      7.30015633    -13.56063133
  O     22.99106367     15.98372601    -13.87747289
  H     21.45275504     12.04680457    -13.64608462
  H     18.92660463      8.74378695    -13.32932989
  O     18.71309504     15.89043774    -14.11163786
  H     21.24748620     12.98754699    -14.87249635
  H     18.18008280     11.35405482    -13.82991292
  O     23.11157528     14.43571554    -11.65301784
  H     14.95858792     12.02794778    -13.07308928
  H     19.38792620     12.13979293    -14.40438600
  O     19.71167785      8.21256762    -13.54763932
  H     15.29855575     13.26819963    -13.89087461
  H     16.48308945     14.24957641    -15.92795340
  O     18.44236867     12.19636071    -14.22256291
  H     15.87774936     11.73636808    -16.14558603
  H     17.03779866     13.01515161    -15.17123248
  O     16.22362192     13.42494272    -15.50355982
  H     16.86715033     10.69995129    -16.67095930
  H     16.62093950     13.76983156    -12.38695662
  O     17.55931278     14.00132181    -12.39222998
  H     18.08525838     10.64886998     -9.39482013
  H     17.96433220     13.37743648    -13.01724784
          69
 Energy    -247.98971200849485     
  O     16.61433417      8.97264484    -14.48566495
  H     16.76551317      8.04180741    -14.71765418
  H     20.03893944      4.55176441    -16.69339787
  O     13.92150296      7.12278783    -17.38712839
  H     17.06241676      9.10645811    -13.64210241
  H     19.07730978      8.47242904    -16.63848824
  O     18.01788080      4.94568242    -12.96944749
  H     13.04883999      7.19952063    -17.76361956
  H     19.84147751      7.14954135    -16.99571744
  O     20.05017947      5.75580774    -18.18364484
  H     13.87989561      7.51416811    -16.49608121
  H     17.60529911      5.88500167    -14.44852348
  O     17.45858250      5.67279435    -18.87212418
  H     17.53959421      4.10886390    -13.04044297
  H     18.15395007      6.75423490    -15.61819211
  O     12.68332439      4.58140851    -11.00222927
  H     18.96721515      4.78437118    -13.01927313
  H     14.78183357      8.62940692    -14.73128494
  O     14.17209902      4.18254237    -14.46544764
  H     20.60729181      5.60510400    -18.94206620
  H     13.83769991      7.57976990    -14.12742803
  O     16.49857051      6.62485590    -11.47699560
  H     19.12783859      5.68823718    -18.49241354
  H     15.86538417      4.87200124    -10.68786866
  O     17.42428226      2.88808711    -15.76769451
  H     17.09361958      6.56835247    -18.94450578
  H     14.53581108      4.11161155    -10.65266355
  O     12.23757518      2.82154872    -13.04675713
  H     16.85155180      5.20338021    -18.29258085
  H     14.96132288      5.61934656    -17.08119435
  O     20.13543335      7.66677938    -13.51709611
  H     11.95759811      4.63436337    -10.38602126
  H     16.23744025      5.49718534    -16.21353927
  O     19.97580683      4.04620795    -15.87636544
  H     12.43972136      3.91492882    -11.66752534
  H     21.49441507      4.34525080    -13.14486784
  O     19.58565830      7.73790905    -16.27299740
  H     14.16429248      4.98844607    -13.92809667
  H     20.54370411      4.55745501    -14.34988682
  O     17.34472187      6.41558148    -15.21376252
  H     14.56453952      4.40898713    -15.31600109
  H     15.50012677      3.23323689    -13.60671734
  O     13.95299674      8.16047777    -14.89134290
  H     17.07146773      6.01080857    -11.96470704
  H     16.03090940      3.04692239    -12.18132249
  O     15.49215219      3.98317483    -10.66191805
  H     16.95821488      7.47006880    -11.51637750
  H     16.71253177      8.76496809    -18.11913692
  O     15.60085094      4.98051723    -16.73772502
  H     17.07452668      2.65295171    -14.90016048
  H     15.42704396      7.91957672    -18.27950310
  O     20.74941922      4.85812222    -13.44426282
  H     16.74431869      3.42136741    -16.19360330
  H     14.88468476      6.52234199    -12.30698852
  O     16.23212482      2.84425246    -13.10737243
  H     12.29691186      1.87976726    -13.18917930
  H     13.47731547      5.90204884    -12.10263845
  O     16.26058780      8.15004673    -18.70835946
  H     12.85861530      3.22708820    -13.67368633
  H     18.87596503      8.44207872    -12.58104586
  O     14.03211513      6.36842655    -12.73973135
  H     20.05472512      7.78310297    -14.47361862
  H     18.53233369      9.53551679    -11.54435220
  O     18.13964010      8.88760938    -12.12317569
  H     20.43608725      6.75872340    -13.39496606
  H     17.80345583     10.74714520    -16.94758962
  O     17.72067398      9.80045749    -16.86328155
  H     19.11916498      3.59556567    -15.88412105
  H     17.29778922      9.62944305    -16.00489265
          69
 Energy    -247.98964664524789     
  O     19.87000359     10.03847412     -8.86502230
  H     19.64444004      9.33843609     -8.24039123
  H     18.59294222     11.07632675     -9.71632694
  O     18.66042455      6.11356002    -10.75086029
  H     20.82454398     10.18588271     -8.83913473
  H     22.89524434      9.42965899     -9.19649539
  O     19.76707129      7.39825207    -14.41255942
  H     19.06735421      6.96841315    -10.97069917
  H     23.30235299     10.83637644     -8.69355789
  O     23.20247861      7.75330259     -9.21118122
  H     17.97095050      6.32051711    -10.10864850
  H     18.94044563      9.40419723    -12.68129142
  O     17.43792360      5.97618028    -13.25000956
  H     19.39164862      8.28782355    -14.35248657
  H     18.98786013     10.77255686    -13.37092777
  O     21.91515222      8.14426359    -12.81691392
  H     19.04525012      6.80035739    -14.18994042
  H     13.46933759      7.93827312    -12.17220256
  O     21.26239058      6.30718931     -7.88847248
  H     23.30377561      7.19933969     -9.99113717
  H     14.54736926      8.03744033    -13.26454584
  O     14.60588319      5.90921841     -9.86186199
  H     22.58023571      7.28025890     -8.63784626
  H     16.21058468      9.09355532    -11.52299592
  O     23.00418369      5.92550585    -11.43932954
  H     17.87454032      5.93027000    -12.38747365
  H     16.69900271     10.16633918    -10.50165734
  O     19.68084047      8.54828773    -11.22881034
  H     16.58306476      5.54088033    -13.13698616
  H     16.71089737      7.65956430    -13.29714210
  O     18.91400333      7.84861974     -7.32556865
  H     21.27513679      7.81340967    -13.46663199
  H     17.04269861      9.15501967    -13.50145066
  O     17.94807429     11.43428977    -10.34227555
  H     22.36217059      7.37969547    -12.43556530
  H     22.12922857      9.98059242    -12.36365741
  O     22.63214713     10.36852134     -9.18408146
  H     20.43795440      6.77019215     -7.69633416
  H     22.29407480     10.73575294    -11.02528976
  O     18.69892580      9.86313098    -13.50169176
  H     21.06193559      5.66132665     -8.57506996
  H     16.06277676      6.65899992     -9.14252683
  O     13.73078082      7.57402148    -13.02659980
  H     14.08972642      6.71839524     -9.97527378
  H     16.66888395      8.03307087     -9.51128845
  O     16.13089914      9.38951452    -10.60556804
  H     14.69282348      5.52737740    -10.74326835
  H     14.40433727      8.94105669    -10.36702520
  O     16.32873358      8.54797748    -13.26408823
  H     23.65516092      5.28720294    -11.72202373
  H     12.95472149      9.13931151     -9.87118142
  O     22.02620438     10.84546107    -11.94562435
  H     22.27474112      5.42393461    -11.04262292
  H     19.97971801     13.11690747    -12.79089388
  O     16.82933090      7.23097731     -8.99237297
  H     20.54083927      8.47175504    -11.66503290
  H     20.58520223     11.78703946    -12.28758187
  O     13.52267693      8.53200151    -10.33808435
  H     19.77533050      9.11336403    -10.45311640
  H     20.03083072      5.09387917    -10.44518917
  O     19.74779742     12.24699360    -12.47759459
  H     18.61146034      7.89027540     -6.42113986
  H     20.61400090      3.69279119    -10.14640230
  O     20.84854929      4.61411081    -10.22522095
  H     18.14355662      7.60146120     -7.86409630
  H     14.34711188      5.94098035    -12.84539272
  O     14.79776719      5.09954954    -12.64998700
  H     18.46966893     11.79561720    -11.06798169
  H     14.26222097      4.40911241    -13.03259501
          69
 Energy    -247.98963556162263     
  O     -0.48600246     -1.11075870      4.93418624
  H     -0.63305441     -1.81076060      5.56459979
  H      4.47198749      2.60819545      0.41320480
  O      4.21447992     -0.66958874     -2.24719959
  H      0.47148088     -0.92952164      4.93582799
  H      0.39188389      4.61533683      0.67329098
  O     -0.77904953     -0.97764872      2.12446233
  H      3.57702910     -0.31329799     -2.87821203
  H      0.09159274      6.13062948      0.57910415
  O     -1.63927199      1.65054762      2.41080544
  H      3.78586472     -1.43991209     -1.85070671
  H      2.10954767     -2.00791585      0.62023463
  O     -0.93035334      1.72402144      5.04640863
  H      0.12102372     -1.24207270      1.86638941
  H      2.37531325     -1.02556212      1.79593830
  O      1.35665213      2.74609927     -2.79322511
  H     -0.83082594     -1.13605893      3.07418379
  H      0.63198348      0.65991368     -0.44158733
  O     -1.02921410      3.69096633     -1.82752280
  H     -1.53661234      1.80756060      3.36062336
  H      1.32345602      1.80824108     -1.23625668
  O      2.87268195      3.01385263      2.98214676
  H     -1.33985601      0.74125471      2.25930614
  H     -1.01939921     -0.67981593      0.30868002
  O      2.08480332      0.36808463     -3.92451243
  H     -0.87284436      0.76273040      5.13021075
  H     -1.61259848      0.43873509     -0.58462013
  O      2.12119802     -0.34181037      4.96485790
  H     -0.04495720      2.05541287      5.23661466
  H      0.86400523      2.48287516      0.83910564
  O      0.61117392     -1.62081315     -2.48258492
  H      0.45456746      3.05942708     -2.62706834
  H     -0.22178965      2.65807928      1.93040955
  O      4.55791516      3.51471845      0.75835457
  H      1.95861920      3.39814618     -2.40340034
  H      4.30045133      0.42375520     -0.83125722
  O      0.34956779      5.37130056      0.06297282
  H     -1.60236550      3.14233511     -1.27932886
  H      3.08011178      1.05231794     -0.13089440
  O      1.72559213     -1.63141546      1.42040830
  H     -0.67264169      4.37183862     -1.24330530
  H      3.37130265      4.28904713     -0.57827175
  O      1.32862563      1.32551100     -0.39834253
  H      2.01909559      3.07918122      2.52599484
  H      2.00839727      4.97446699     -0.82408439
  O     -0.98092672     -0.29005865     -0.57623205
  H      3.53733722      3.30214659      2.34525815
  H      3.26327746      1.15296358      2.78612533
  O      0.55420717      3.07827680      1.53968125
  H      1.83889089      1.24893934     -3.59584563
  H      3.91136501      0.34537695      1.66467696
  O      4.04543273      0.97463999     -0.07930421
  H      2.12952861      0.43664880     -4.87526444
  H      2.68217225     -3.65993435     -1.19487772
  O      2.75473521      4.55387328     -1.26970812
  H      2.69037613     -0.34216113      4.18595017
  H      1.87009954     -2.39821937     -1.57402037
  O      3.52396083      0.25442484      2.54617015
  H      2.08960113      0.57561201      5.26459052
  H      2.26791622      2.74320942      4.64448721
  O      2.62709741     -2.71879667     -1.05033408
  H     -0.04890015     -1.19853108     -1.91731283
  H      2.22199745      3.00074551      6.16654822
  O      1.84812876      2.46128438      5.47389078
  H      1.01174765     -0.92668771     -3.02111192
  H     -2.37861475      1.95623970      0.79977604
  O     -2.63631172      1.99215110     -0.13641557
  H      5.47944476      3.75011725      0.68066520
  H     -3.59069964      2.00621450     -0.15591825
          69
 Energy    -247.98957869879055     
  O     10.65817109      9.63216020    -11.18161635
  H     10.68230207      8.68470175    -10.95651702
  H     16.39085748     11.22244864    -13.39508617
  O     14.30960879      7.30915673    -15.58396572
  H     10.11128012     10.05796516    -10.52737278
  H     17.15978725      8.28678476    -14.38171921
  O     18.41510166     11.16704468    -16.05937764
  H     15.00209033      7.59237014    -14.96403021
  H     16.59707176      7.04471068    -13.67032405
  O     12.83258730      9.52906944    -14.85419725
  H     14.77247619      7.15274892    -16.41442262
  H     11.87857014      6.86476081    -10.81754257
  O     13.15486350      5.56793100    -13.75647442
  H     17.80111958     11.43795670    -15.35238382
  H     10.63014368      6.53038794    -11.64553007
  O     16.09014749      9.88817851    -12.02573133
  H     18.96939484     11.91884779    -16.24908198
  H     17.61779456      6.78637426    -10.67583693
  O     16.18265129      9.97733153    -17.39639755
  H     13.26769205     10.27601881    -15.28440666
  H     18.94388847      6.07585997    -10.30760161
  O     15.12573237      3.80046091    -12.94141719
  H     13.26598609      8.73064070    -15.18688172
  H      9.63310077      5.67838080    -13.90709104
  O     18.90686792      8.68850946    -14.88867933
  H     13.49985863      6.10625611    -14.48265549
  H     10.32758649      7.05008162    -13.73414199
  O     16.22086918      7.11488807    -17.64269013
  H     12.19540718      5.67451920    -13.73938577
  H     18.89624749      8.18020855    -11.75506040
  O     18.19526685      6.22599013    -15.99920088
  H     15.13677315     10.01278110    -11.91679003
  H     18.16087104      9.52236516    -11.92690119
  O     16.53341969     11.74304588    -14.19346016
  H     16.18218675      9.17280566    -12.67865758
  H     17.77706604      5.61906450    -12.58970961
  O     16.37191974      7.94870897    -13.93464115
  H     17.03857030     10.29360111    -17.08144146
  H     16.60810898      4.77707713    -13.20895384
  O     10.91442036      6.94339892    -10.82111239
  H     16.24948551      9.02189182    -17.50635223
  H     16.17984378      8.48280255    -10.63193929
  O     18.45175046      6.43690422    -11.04016630
  H     14.76213477      3.13324807    -12.36478475
  H     15.29865647      7.23512040    -10.53388947
  O     10.40376500      6.09925836    -13.53561270
  H     14.37156973      4.32342699    -13.25579302
  H     14.12363965     12.21843446    -16.62456567
  O     18.97480273      9.05896995    -12.14900188
  H     18.87711684      9.54850921    -15.32453228
  H     14.97444900     10.92449367    -16.59946683
  O     17.30943156      5.41328890    -13.40894519
  H     19.08998275      8.84256529    -13.94967308
  H     13.57323237      7.94455621    -11.66047876
  O     16.14934223      7.59804392    -10.25069354
  H     16.93082015      6.75452917    -17.08150003
  H     13.58258129      6.48687986    -12.19170065
  O     14.37562498     11.48390212    -16.07095723
  H     16.29189020      6.67558565    -18.48593912
  H     12.44905107      9.84805798    -11.71142787
  O     13.67255543      7.02007568    -11.39158393
  H     17.94191099      5.76753446    -15.18765401
  H     13.16929622      9.68973251    -13.07472498
  O     13.31602451      9.72906076    -12.11830670
  H     18.63351235      7.03697572    -15.70361690
  H     10.30237219      9.19357130    -13.03873375
  O     10.30893169      8.78271784    -13.91167897
  H     15.71174375     11.71004141    -14.69943473
  H     11.10953138      9.10278967    -14.35034441
          69
 Energy    -247.98942356128813     
  O     16.15621697     11.61905782    -16.25117970
  H     15.34381987     11.27179922    -15.85279262
  H     16.77473190      4.49495490    -15.92957810
  O     13.82333679      5.82910794    -15.70982024
  H     16.18304271     11.25028624    -17.14024857
  H     18.55705284      8.02594622    -18.30977731
  O     18.45341875      7.55900498    -11.88749335
  H     14.49501240      5.20069001    -16.00086181
  H     17.88712462      8.36784844    -16.93933996
  O     18.49609461      6.68221656    -19.46110535
  H     13.89470802      6.58826674    -16.30060208
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  H     19.16450481      7.32558779    -12.49438110
  H     16.92877274      8.35366455    -14.79516262
  O     14.49365746      9.05442450     -9.88630225
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  H     13.94201302      9.51453102    -15.84430524
  O     14.22208028      6.50204136    -13.08080351
  H     18.76320270      6.22921610    -20.25563047
  H     13.94376492      9.97210735    -14.36678509
  O     17.02734556      9.37941159    -13.29487586
  H     17.58968841      6.38493967    -19.27006052
  H     14.87169982      5.44021233     -9.86317425
  O     17.88239628      5.28470463    -14.74968658
  H     15.99600476      5.28688141    -18.02906831
  H     15.57774816      4.33526665     -9.03923144
  O     13.49828711      6.39213046    -10.37246869
  H     15.43614358      6.68701737    -18.33319328
  H     21.04218753      6.70557155    -14.14313563
  O     19.90170711      9.34092398    -15.40347887
  H     14.35014198      9.64515888     -9.15175964
  H     20.04510290      7.80179688    -14.57266286
  O     16.06189017      4.18295437    -16.51001620
  H     15.36280769      8.63850962     -9.74628102
  H     17.30809258      6.17873163    -12.09601103
  O     18.39344179      8.74142570    -17.67704644
  H     13.99418515      6.23408854    -13.98199847
  H     16.42142904      5.10923620    -11.41378886
  O     16.85239827      7.77340273    -15.56392310
  H     15.08705027      6.12585950    -12.87432285
  H     16.57305079      6.76094679     -9.46862563
  O     13.93828432     10.29272751    -15.27817954
  H     17.37607106     10.21648259    -13.62548328
  H     17.52808352      7.70580470    -10.22624421
  O     15.73310530      5.02178083     -9.68150919
  H     16.08865072      9.47364637    -13.08353292
  H     16.26496177     10.28919304    -19.58256947
  O     20.11732948      6.93897420    -14.12673484
  H     18.72351455      5.73925416    -14.61295881
  H     17.02986447      9.65564355    -18.39750456
  O     16.71757453      5.43077483    -12.27391565
  H     17.46843968      5.18538723    -13.87822057
  H     14.30901525      9.31714523    -11.73231037
  O     16.83634667      7.68581073     -9.55307155
  H     13.54325246      6.36709975    -11.33899658
  H     14.25441462      8.28019623    -12.87959006
  O     16.18927871     10.06968326    -18.65756822
  H     13.65707348      7.31253983    -10.13002857
  H     17.50891290     11.61656702    -15.20994248
  O     14.34529739      9.22754661    -12.69226757
  H     19.55726465      9.20605692    -16.29712970
  H     18.47581500     12.42168922    -14.30775879
  O     18.22939367     11.53553036    -14.55704491
  H     19.44718514     10.12372063    -15.07120545
  H     14.99980178      8.83471464    -17.77874012
  O     14.68865488      8.13329324    -17.19271011
  H     16.08935088      3.22921807    -16.49025762
  H     15.41141591      7.98332726    -16.55894615
          69
 Energy    -247.98933324859610     
  O     -2.87411196     -0.45993591      2.45466091
  H     -2.78723925      0.24282312      3.11206948
  H     -4.62907630     -2.79472271      0.65022454
  O     -0.20395552      3.45675726      2.21428232
  H     -2.03337976     -0.51187962      1.98363781
  H     -4.05932435      3.54815432     -0.55586033
  O     -0.51085221     -0.40950787      0.96978592
  H     -1.07088479      3.82660448      2.42516840
  H     -3.86345702      2.26543201      0.27108709
  O     -4.50861614      1.45754003     -2.82028631
  H      0.04381823      2.92753375      2.98130895
  H     -6.28257191      0.83111695      1.09228989
  O     -1.75445761      0.77389065     -2.38103908
  H     -0.59807993      0.48833486      0.62208834
  H     -7.28235478      0.34309635      2.15573779
  O     -4.56957798      0.70641413      0.57586456
  H     -0.88241315     -1.00743156      0.30373660
  H     -5.58232577      2.43899251      4.11084687
  O     -6.83476909     -0.57929629      3.70668245
  H     -3.55880805      1.31308597     -2.73392981
  H     -4.41434093      1.53728177      4.54901726
  O     -8.12104832     -0.48102901     -0.94159916
  H     -4.91622372      0.62625374     -2.53977650
  H     -3.89177884      4.18087183      2.98129475
  O     -2.57575782      1.67613090      4.19710217
  H     -1.36215769      1.26897159     -1.64451398
  H     -3.14062715      3.72936033      1.72233539
  O     -5.56072204      3.69656692     -1.68544627
  H     -1.09941112      0.76807775     -3.07636397
  H     -6.26762329      4.86300829      3.70653330
  O     -5.47505875     -0.83784727     -1.59320626
  H     -4.76246387      0.14573659     -0.18690580
  H     -6.14998285      4.00489955      2.42750902
  O     -4.38216490     -3.02111188     -0.26416249
  H     -4.01362891      0.22013058      1.19848684
  H     -5.66428397     -1.80385978      2.73132220
  O     -3.45966974      3.12532044      0.06714050
  H     -7.36042328     -0.87447997      4.44525609
  H     -4.15222030     -1.74590331      2.47166981
  O     -7.22483178      0.82917577      1.32455373
  H     -6.29735529      0.16767560      4.02881711
  H      0.81608908      1.95280100      5.22230531
  O     -5.37653343      1.56930915      4.47416575
  H     -8.92459310     -0.09652320     -1.28257137
  H      0.57506808      0.93600686      4.08204964
  O     -3.01118316      3.95831502      2.65504822
  H     -7.92716822     -0.01111044     -0.11434388
  H      1.55364250     -1.30566150      3.24575632
  O     -5.75206069      4.17104789      3.30037890
  H     -2.70402000      2.46830043      3.65406138
  H      0.58205962     -0.50779368      2.35949509
  O     -4.94791877     -2.26583496      2.28310847
  H     -1.64376796      1.66456278      4.44531557
  H     -2.02817696     -1.02419864     -1.53709864
  O      0.22588603      1.74006158      4.50408752
  H     -5.76844355      4.32280239     -2.37374216
  H     -2.71255245     -2.19393842     -0.77109977
  O      1.09418442     -0.47259541      3.18452679
  H     -5.23835246      2.89226610     -2.13133762
  H     -0.46554518      2.61643934      0.61613269
  O     -1.86411662     -1.77402054     -0.95302352
  H     -6.43213171     -0.78885684     -1.44951402
  H     -1.80050040      2.51438238     -0.13125753
  O     -0.90254036      2.14980263     -0.11097738
  H     -5.17189762     -1.68633481     -1.24730210
  H     -7.16308386      2.65767135      1.02733888
  O     -6.88784422      3.57614370      0.89965253
  H     -4.47421529     -3.96675060     -0.34548777
  H     -6.50239519      3.62557864      0.01757935
          69
 Energy    -247.98922458569260     
  O     15.75591563     12.14551590    -15.11729512
  H     15.87706502     11.80684265    -16.01431322
  H     19.34356089      6.22279701    -13.91506523
  O     14.82538564      7.03742710    -15.78896319
  H     16.60845744     12.06289818    -14.67742336
  H     18.96411972      9.60231919    -16.91778132
  O     18.03932173      7.53115742    -11.01572616
  H     14.44219172      6.69334346    -14.97349080
  H     17.66918128     10.45617732    -16.78241317
  O     19.33462852      8.33112918    -18.11766514
  H     15.63591785      7.49726639    -15.51834750
  H     16.99480179      8.71121582    -14.03051651
  O     16.86732972      8.79066540    -19.51378309
  H     17.58390661      6.85351048    -11.53989094
  H     17.59104674      8.87749972    -15.45165290
  O     14.02245627      7.98132558     -9.83209156
  H     17.61231183      7.52478772    -10.15000117
  H     14.24665567     11.53209391    -14.46391326
  O     14.17693110      6.51049889    -13.12445778
  H     18.59647799      8.49852615    -18.71875535
  H     12.75437384     11.79832111    -14.15879239
  O     16.98584378      9.65379803    -12.46248382
  H     19.25027826      7.40827323    -17.85024035
  H     16.17308480      4.86765980    -10.85203906
  O     18.76385984      5.62835920    -17.25707126
  H     16.63323164      8.71228968    -20.43465850
  H     16.03386257      5.50772183     -9.45823450
  O     13.17008262      5.38723776    -10.73399929
  H     16.55000118      7.98023387    -19.07443655
  H     13.51972585      9.98123124    -15.75455626
  O     16.19704313      6.52951893    -18.18286359
  H     13.57963546      7.15685133    -10.06748165
  H     14.00756936      8.62773321    -16.32245518
  O     18.64246014      6.00108305    -14.54393358
  H     14.03613135      8.51298224    -10.63933396
  H     19.63115217      7.13183685    -11.86159099
  O     18.48927748     10.20705040    -16.32934505
  H     13.70258710      6.06049477    -12.41519467
  H     21.07526817      6.61638300    -11.96499157
  O     17.12479609      8.26036366    -14.87413358
  H     14.17969403      7.45298112    -12.89903438
  H     15.88252105      5.88269740    -12.81742254
  O     13.41588250     11.11147428    -14.17821161
  H     17.49270528      9.04471859    -11.90828394
  H     17.33331008      5.49794224    -13.25747031
  O     15.72298614      4.77291120    -10.00070142
  H     17.56576684     10.34285787    -12.80980199
  H     15.55991347      7.60714824     -9.09982369
  O     13.78661621      9.53631602    -16.56674508
  H     18.77005198      5.66357924    -16.28633574
  H     16.43455192      7.52047399     -7.82699156
  O     20.30826748      6.83457705    -12.48886686
  H     19.20785979      4.82066914    -17.50360452
  H     16.32207383     10.15770160    -18.33524618
  O     16.74132416      5.56965761    -12.49973958
  H     14.03696937      5.06487739    -10.42857347
  H     15.23550897     10.28370419    -17.24833332
  O     16.41602479      7.29595738     -8.75320200
  H     12.52340413      4.74122502    -10.46407981
  H     15.23026395      9.41287931    -12.33355517
  O     16.06837094     10.67384200    -17.55998384
  H     17.01549223      6.12349344    -17.87232496
  H     13.86860642      9.83724765    -12.93277689
  O     14.28828530      9.18756304    -12.35586785
  H     15.61260628      6.58986627    -17.41559205
  H     18.55796440     11.09665339    -14.80787125
  O     18.38725456     11.56297708    -13.97048384
  H     18.12173298      6.81019648    -14.67307460
  H     19.07746580     12.21398554    -13.87375018
          69
 Energy    -247.98910003480381     
  O     11.20792750      8.68054219    -13.17576221
  H     11.48000386      8.61455684    -14.10448887
  H     14.38638197     11.77061924    -15.04469403
  O     16.67829641      6.78442826    -14.87348570
  H     11.51714685      9.54087382    -12.87510745
  H     13.90374201      8.62654709    -14.79640371
  O     17.12434534      9.61018872    -11.12762727
  H     16.37357039      6.17642821    -14.18572941
  H     15.29908412      7.95915705    -14.53871665
  O     16.04412459     10.92080603    -15.38002247
  H     17.32822187      7.36644578    -14.45444612
  H     11.49355956      7.09587116    -12.57136224
  O     13.24657592      6.20192955    -16.71721548
  H     16.16585562      9.60592885    -11.26408649
  H     10.88885857      5.76161199    -12.07487478
  O     15.54969599      6.17400274     -8.73929967
  H     17.33378674      8.98589881    -10.42196050
  H     18.26482757      6.58214886    -10.81936914
  O     15.84835916      5.39542932    -12.62149412
  H     16.96483756     10.98021845    -15.10555447
  H     18.57672553      6.84188021    -12.30224016
  O     14.45196244      9.47332142    -11.74464813
  H     15.65842242     10.13907509    -14.95451605
  H     14.32186105      4.94408415    -13.70760545
  O     15.17068899      9.78455148    -17.80657802
  H     13.36353112      5.69265533    -15.90006700
  H     12.85070221      5.37903867    -13.60714995
  O     15.91130722      7.01837885    -17.49104293
  H     14.12635915      6.38158032    -17.06566183
  H     17.89448545     12.70579307    -11.55463467
  O     18.75969037     11.02684209    -14.50663502
  H     14.94788604      6.38593932     -9.47199649
  H     17.88430301     11.16662587    -11.58936827
  O     13.43815579     11.92150488    -14.93551914
  H     15.37182212      5.26594226     -8.50679087
  H     17.86792265      8.80412853    -12.62385052
  O     14.74114150      8.71471386    -14.32189141
  H     16.73736565      5.49846195    -12.25178016
  H     18.63228481      9.23572879    -13.88531613
  O     11.71509173      6.19782467    -12.26417984
  H     15.25724868      5.89572071    -12.04370746
  H     18.33860100      7.67486790     -8.48552751
  O     18.34939427      6.14469760    -11.67492164
  H     14.57423581      9.16376357    -12.65801817
  H     16.99738856      7.10960802     -9.01024109
  O     13.50613830      5.01853932    -14.21626196
  H     13.75823834     10.14058272    -11.79499382
  H     12.23414203     10.97272580    -18.22230658
  O     18.28614477     11.95406118    -11.99206019
  H     15.60189117     10.22433608    -17.06081938
  H     13.53974559     10.36992028    -17.64943947
  O     18.32784309      8.45873927    -13.40256886
  H     15.41748631      8.85353455    -17.75618400
  H     13.21607328      6.56055549    -11.30846576
  O     17.78344143      7.62607864     -9.25949480
  H     16.25465411      6.88206318    -16.59201296
  H     14.15695631      7.78330725    -11.14059686
  O     12.64841088     10.68637455    -17.41332826
  H     16.45991086      6.49813412    -18.07345394
  H     12.75962031     11.49626951    -13.37198062
  O     14.06499485      6.84142004    -10.94218763
  H     18.64838455     11.44202849    -13.63312745
  H     11.91347775     11.97750756    -12.17315302
  O     12.40841625     11.23228124    -12.50267984
  H     19.48492886     11.47278625    -14.93610381
  H     12.30550904      9.22186968    -16.33101617
  O     12.30175754      8.51135170    -15.67983824
  H     13.04119101     11.61752236    -15.76050516
  H     12.52912054      7.68123512    -16.12765424
          69
 Energy    -247.98882240497915     
  O     17.93505963      8.69187215    -10.44895770
  H     17.18678142      9.25942135    -10.67280154
  H     18.31559292     12.03293808    -10.41436941
  O     14.00045613      8.43939269    -10.08613246
  H     17.58827768      7.80715842    -10.27751696
  H     18.56683606      9.74696125     -7.58029899
  O     19.14825851      3.49060102    -12.33603282
  H     13.06129239      8.45836633     -9.92236799
  H     18.72928039      8.92306908     -8.86914962
  O     21.29292799      7.21828838    -11.99792293
  H     14.43270209      8.62787060     -9.23230484
  H     19.86951820     10.31072211    -12.19769754
  O     15.28794971      9.06261084     -7.81968883
  H     18.96623968      2.55511433    -12.33695739
  H     19.05853063      9.07928961    -11.75741724
  O     18.63102577      6.12896902    -15.40585187
  H     18.34739729      3.93568479    -12.66855083
  H     20.35370156      4.55888904    -13.41531833
  O     22.84075764      8.04910657     -9.78634069
  H     21.94315290      7.49099139    -11.33932978
  H     21.06566198      5.93042802    -13.32304032
  O     17.04303475      7.00949207     -7.24088127
  H     20.78969669      8.01009975    -12.23528738
  H     17.46088581      5.38241426    -14.08860135
  O     20.92139257      6.85428941     -8.30253225
  H     15.79591010      8.29419309     -7.51921089
  H     16.39197223      5.48600180    -12.96896160
  O     17.08795874      6.10532395     -9.88990107
  H     15.85141524      9.82553119     -7.65486849
  H     15.06941112      9.77735371    -10.85426747
  O     17.29246274     11.11087955     -7.40020371
  H     19.43907593      5.84378174    -14.94298594
  H     15.73178802      9.98759301    -12.22921423
  O     17.47676286     12.04600259     -9.93860896
  H     18.70300721      5.81113102    -16.30215573
  H     16.49668558      8.96469277    -14.16168411
  O     19.09312825      9.04034866     -7.97627102
  H     22.23165763      7.57536942     -9.19014670
  H     15.01351914      9.21273901    -14.53107751
  O     19.65803374      9.40393466    -12.44799213
  H     23.72533554      7.85624878     -9.48755677
  H     20.59615031      9.99051603     -8.71972221
  O     20.73964458      5.26651476    -13.94616313
  H     17.00734635      6.55541278     -8.09568155
  H     21.89136903      9.68479270     -9.49520315
  O     17.06101753      4.90641379    -13.34911749
  H     17.82684328      7.56673161     -7.27982736
  H     14.81922852      7.21714398    -11.32661211
  O     15.76634978     10.27123872    -11.30614690
  H     20.29477174      7.54181295     -8.04598657
  H     15.47339172      7.50586643    -12.67946801
  O     15.59278278      9.01423490    -13.80068335
  H     20.44863969      6.25122233     -8.89165591
  H     18.33810742      7.90400233    -14.97326667
  O     21.26815461     10.39049359     -9.28476369
  H     17.96845235      5.79172725    -10.14455663
  H     18.72094106      9.03583038    -13.97935283
  O     15.36049896      6.81131415    -12.01681752
  H     16.52870505      6.13411283    -10.67528770
  H     20.58244243     12.66940010    -11.38696409
  O     18.09963113      8.79194073    -14.67877790
  H     17.36081153     11.50603257     -8.28812177
  H     20.54582299     11.40645126    -10.49185179
  O     20.07003557     11.88901361    -11.19262508
  H     17.21596660     11.83270192     -6.78210413
  H     20.21235045      6.09561356    -11.00634641
  O     19.71193422      5.46869106    -10.46513349
  H     16.83296608     11.58196960    -10.49041663
  H     19.60017747      4.67300624    -11.00104134
          69
 Energy    -247.98842061418003     
  O     14.68186525      9.97344870    -10.67922724
  H     15.49464731     10.27869022    -10.25738256
  H     17.56380869      4.34164296    -11.99367472
  O     12.87837083     10.35491738    -16.49431967
  H     14.54867199     10.47277002    -11.49766785
  H     12.44292237      7.77746396    -10.60367696
  O     16.93350335     10.72942230    -14.18750724
  H     12.96846436     11.22244688    -16.08039976
  H     13.43771381      8.82278648    -10.04862142
  O     13.40259208      5.22936210    -12.93112189
  H     12.84915097      9.71499053    -15.77108472
  H     14.50683490     12.73231194    -15.63022812
  O     17.03654848      7.84712397     -8.49111229
  H     17.56391343     10.64779458    -13.45895179
  H     13.36825466     13.72524781    -15.28978210
  O     16.04283147     12.29946816    -16.32941164
  H     16.05543310     10.80014380    -13.79104956
  H     13.84173536      8.00894649    -14.41271995
  O     15.80201902      7.66310870    -11.82457503
  H     14.02090410      5.58632803    -13.58183375
  H     12.55549452      8.25022728    -13.58510461
  O     14.29228361     10.96614442    -13.20152056
  H     13.91862307      5.08602695    -12.12520996
  H     14.31259832     10.14821992    -17.49813493
  O     18.56078742      7.47429003    -11.96397817
  H     17.64287013      7.16595058     -8.80451275
  H     14.99702465      9.96622700    -18.87328958
  O     18.52305781     10.29082036    -11.98033281
  H     16.18447153      7.41489388     -8.35731113
  H     10.77801646      6.95507164    -12.35937870
  O     17.64519461      5.26070215    -13.45310262
  H     16.52734575     11.85260714    -15.62029770
  H     12.23342995      6.44781572    -12.50699948
  O     17.52240943      3.93149632    -11.10935332
  H     15.87194858     11.62379093    -16.99749566
  H     14.07869976      6.31429421     -7.44012543
  O     12.91237578      8.04605161     -9.80598249
  H     15.48559927      6.87899561    -11.35736150
  H     13.88006059      7.07786065     -8.77279592
  O     13.63439960     12.81458301    -15.20248866
  H     15.39381386      8.43890144    -11.42338527
  H     15.85629792      4.69629563    -10.68653051
  O     13.14261511      8.65072626    -14.23828432
  H     14.00915636     11.69661139    -13.76500133
  H     14.87853742      5.49616716     -9.75405651
  O     15.17549407     10.09862496    -17.94640065
  H     13.88204439     10.16404390    -13.55707810
  H     18.40476358      5.14018662    -10.05988210
  O     11.68982557      7.22333490    -12.27763720
  H     17.60229609      7.61944909    -11.89739372
  H     19.61785726      5.54841129     -9.19501125
  O     14.50385444      6.52302843     -8.26727101
  H     18.81820084      7.03619950    -11.14543288
  H     15.76640256      7.32747260    -15.02061671
  O     15.03852086      5.20673150    -10.66166544
  H     18.73484557      9.34956934    -12.03612607
  H     15.50134701      7.13121268    -13.49207955
  O     18.81447325      5.88216643     -9.58834005
  H     18.11078914     10.40944713    -11.11692788
  H     17.14772661      9.49393044     -9.07386231
  O     15.31398648      6.76338194    -14.37122534
  H     18.12321401      6.04222633    -13.14085914
  H     17.42592136     10.97638836     -8.73117192
  O     17.15329317     10.39709625     -9.43811889
  H     16.89058116      5.59766305    -13.94741905
  H     16.11000909      9.01162020    -16.70448436
  O     16.50153357      8.58001753    -15.93651162
  H     17.62206104      2.99175334    -11.23539442
  H     16.76354786      9.29157318    -15.33532851
          69
 Ord_Energy   -247.988297    
 O    7.01625776       2.82409644       1.91197383    
 H    6.62070751       3.67670417       2.14119935    
 H    6.29706907       2.20595241       1.73946488    
 O    5.95589876      0.589454055      -1.61189258    
 H    5.45838690       1.17991424      -2.19317150    
 H    6.85973358      0.655624807      -1.92690885    
 O    2.22416186       2.85043430      -2.31454515    
 H    2.20580316       3.82207274      -2.41556478    
 H    1.38215542       2.52484202      -2.61954165    
 O    7.87327194       2.43846369      -3.16169333    
 H    7.95909452       2.64653826      -2.21685839    
 H    6.93385839       2.47683048      -3.37132001    
 O    3.35428786       5.58474207       1.37203991    
 H    3.29813862       6.17672348      0.608501256    
 H    3.21657729       4.68491077       1.04911304    
 O    3.32722831       7.43405151     -0.723345757    
 H    3.34624624       8.21431160     -0.155849263    
 H    4.20039463       7.37586260      -1.13970709    
 O    4.89865208       2.69372654      -3.22141957    
 H    3.94422245       2.61023760      -3.09464884    
 H    5.18667889       3.33260703      -2.54791093    
 O    5.85555983       7.47346020       4.21803474    
 H    6.29768801       7.75091457       5.01541090    
 H    6.08452606       8.12083340       3.52643061    
 O    6.77173281       6.80295610      -4.39898682    
 H    7.12418270       7.38033772      -5.07038450    
 H    7.49597406       6.21151781      -4.12454605    
 O    9.51337242       5.68616772     -0.736471713    
 H    10.3645382       5.99460983     -0.436011910    
 H    8.84274673       6.22133875     -0.279843748    
 O    8.11021614       3.26320362     -0.519583583    
 H    7.86321926       3.04452014      0.391975611    
 H    8.70116806       4.02584410     -0.499393135    
 O    3.44551086       3.10144615      0.202010915    
 H    3.87788224       2.29371595      0.507604301    
 H    2.95135784       2.90079045     -0.603669763    
 O    2.39125943       5.50151348      -2.62183714    
 H    3.04493642       5.56533861      -3.33479714    
 H    2.56754017       6.22271442      -2.00838256    
 O    6.34704828       9.08600807       2.08150673    
 H    6.80936337       8.51207447       1.45724082    
 H    5.49322844       9.29747295       1.68422234    
 O    5.60882616       4.32170343      -1.13164270    
 H    4.90880919       3.97078967     -0.567001045    
 H    6.45633984       3.96102571     -0.837648928    
 O    5.03454161      0.938456059      0.941471100    
 H    4.88395452       9.45959613E-02   1.36002052    
 H    5.40361071      0.752732813       6.05199486E-02
 O    3.15942383       7.66505480       3.24139214    
 H    3.98028016       7.57706404       3.74102974    
 H    3.08219814       6.85686731       2.71439910    
 O    5.82386684       6.96282530      -1.77212358    
 H    5.71196413       6.01067257      -1.61255407    
 H    6.12984037       7.06009054      -2.68086433    
 O    8.68786144       5.15190220      -3.46995759    
 H    8.51487732       4.20164633      -3.48555636    
 H    9.03888321       5.35638952      -2.59578824    
 O    4.37784290       5.26214123      -4.55757856    
 H    4.65406752       4.35764217      -4.37814569    
 H    5.18692732       5.78674841      -4.59787512    
 O    3.60827994       9.45580959       1.23778653    
 H    3.12518239       10.2700691       1.35374463    
 H    3.37524939       8.88183689       1.98977661    
 O    7.42110300       7.00067139      0.459244788    
 H    6.87070608       7.09065962     -0.333650887    
 H    6.96077538       6.40149641       1.06449139    
 O    5.97591352       5.42178488       2.29063416    
 H    6.00646782       5.99938869       3.06383038    
 H    5.06791210       5.46092367       1.95748591    
          69
 Energy    -247.98829297507467     
  O     18.23241628      7.31981571    -16.25298424
  H     18.83926157      6.60061758    -16.09849941
  H     17.97568150      8.88007607    -17.13768481
  O     14.57788214     10.63919509    -11.56798001
  H     17.61345977      7.31448781    -15.50589225
  H     15.03528924     10.16985457    -18.90027686
  O     17.55530345     15.67263833    -14.69203247
  H     14.31000239     10.10804564    -10.80858531
  H     16.22217342     10.24698269    -17.90671311
  O     16.34468950      7.56074575    -14.24516254
  H     13.95134869     10.44710358    -12.28036079
  H     16.88561244     13.90169197    -12.19886120
  O     13.85433106      8.75437253     -9.62123161
  H     17.66384652     15.14275406    -13.88160205
  H     18.19477842     13.26019605    -12.70629818
  O     16.06482419      7.42335534    -10.48309564
  H     18.04778674     16.47852684    -14.56275950
  H     12.59814544     13.27525260    -14.32540019
  O     15.95900054     11.90888945    -14.34944530
  H     15.76745074      6.96463688    -13.75222597
  H     13.16657991     12.62234161    -15.59496603
  O     12.81855915     10.02513759    -13.65759491
  H     15.78295140      8.19890701    -14.71218630
  H     14.35877852      5.14731484    -12.62827841
  O     17.10054054      9.42172343    -12.28530632
  H     13.71470330      8.71368354     -8.67945390
  H     13.89552426      6.61072040    -12.43499986
  O     18.56056988     11.55409790    -13.39753963
  H     14.66364936      8.24621383     -9.81083239
  H     13.68235909     15.09976972    -13.98746914
  O     14.90286290      9.57294106    -15.40333357
  H     15.69717396      6.83201380    -11.15222795
  H     12.51322293     15.50410064    -13.05422618
  O     17.80489470      9.76354005    -17.49365572
  H     16.60834803      8.06048296    -10.96345300
  H     16.93568031     13.48155422    -16.88536945
  O     15.28807420     10.49704616    -18.04168895
  H     16.89564651     11.81429953    -14.13823269
  H     17.82051057     14.39899205    -16.02376064
  O     17.77897897     14.10959084    -12.50625446
  H     15.57460812     12.40731811    -13.61750571
  H     14.34947310     13.78577331    -12.32440503
  O     12.53554377     12.48848562    -14.88205300
  H     12.54010606     10.88246934    -14.00935879
  H     14.86157980     12.42695636    -11.71636408
  O     14.67344443      6.04660237    -12.59498821
  H     13.45241245      9.69147875    -14.30829307
  H     15.37250337     12.62831232    -15.83502495
  O     13.08568072     14.77821096    -13.28627491
  H     16.27689398      9.88991017    -12.08933113
  H     15.00966157     12.19142350    -17.27556592
  O     17.85171031     13.67224155    -16.66047609
  H     16.90694809      8.77896275    -12.98263409
  H     12.52191247      8.50253752    -12.60077836
  O     15.13358802     13.29337395    -12.05192744
  H     18.99134539     11.37287181    -14.24219748
  H     12.86357162      8.08514338    -11.15103105
  O     14.99767698     12.94669474    -16.67443904
  H     18.24902553     10.72749205    -13.00340935
  H     15.71831785     15.58670874    -15.07277028
  O     12.63376310      7.73680147    -12.02134180
  H     14.91788385      9.75308815    -16.35007698
  H     14.79619508     14.68646104    -15.92307096
  O     14.79246116     15.40848128    -15.28191766
  H     15.28895612     10.35297222    -14.97467693
  H     18.93397794     12.35408784    -16.30295693
  O     19.47205032     11.57532432    -16.07103027
  H     18.41041873     10.35705956    -17.03544475
  H     20.35451306     11.74701890    -16.39027354
          69
 Energy    -247.98820967700303     
  O     -3.27743215      3.14587883     -1.41874969
  H     -2.76553786      2.57005656     -0.82597877
  H     -5.92111931      1.66415873      3.24195098
  O     -1.60343847      2.12486259     -3.72515400
  H     -3.98968747      2.59438808     -1.76509290
  H      2.26490234      1.98523407      1.96358266
  O     -4.37162725      4.00581796      1.16562648
  H     -2.00944687      2.67051942     -3.04444567
  H      1.08568955      1.00493527      1.72629259
  O     -1.27497431     -1.52223979      2.96625389
  H     -0.73537739      1.86548971     -3.38944721
  H      0.28884755      3.77481469     -0.64208191
  O     -1.02137233     -0.70878354     -0.97774761
  H     -4.18045530      3.74124049      0.25886381
  H      1.02967259      2.74367007      0.26884214
  O     -2.99112320     -0.18308601     -3.11826316
  H     -4.70412424      3.22530058      1.62583545
  H      3.40225543     -0.38458943     -0.53430903
  O     -2.73334187     -2.16110968      0.56021808
  H     -0.50205120     -1.25658987      2.44175577
  H      3.72365805      0.15217533      0.87232010
  O      0.69126118      1.01373099     -2.39381645
  H     -0.96373103     -2.17089183      3.59404709
  H      4.06724154      2.30385048      0.70813529
  O      0.75330397     -0.73904681      1.24260382
  H     -1.55882496     -1.40292565     -0.56499159
  H      4.88197331      2.24219021      2.02393181
  O      3.35134212      0.33038893     -2.31508111
  H     -1.33539381      0.12233622     -0.58239432
  H     -4.41695488      0.56404694     -2.50625286
  O     -2.91142801      0.74372330      3.64316423
  H     -2.52336204      0.57434237     -3.50371073
  H     -5.88409754      1.03602401     -2.66381124
  O     -5.21871797      1.66180376      2.59726755
  H     -2.36794506     -0.57981397     -2.50305844
  H     -1.41368977      3.62615176      2.55731364
  O      1.30241606      1.92862216      1.91859518
  H     -3.47908175     -1.54540840      0.54084689
  H     -0.26626872      2.55134446      2.54811262
  O      0.97765950      3.09570786     -0.62882590
  H     -2.33815418     -2.06801895      1.43561063
  H     -4.94548365      0.52589635      1.16806527
  O      3.33961393     -0.59974279      0.40488122
  H      0.75787986      1.75063386     -1.76459074
  H     -4.87025590      0.36252969     -0.38471565
  O      4.09400020      1.91338513      1.60074322
  H      0.14883262      0.32505786     -1.98801785
  H     -2.90719888      0.90850195      0.52711649
  O     -5.12667983      1.08629772     -2.08723677
  H      0.22987074     -0.79265696      0.43388325
  H     -1.81710222      1.84242878      1.15686880
  O     -1.21283636      2.69176569      2.68984735
  H      1.68349966     -0.83147091      0.98363188
  H     -1.40490320      5.11655145      0.30351674
  O     -4.53196782      0.02314857      0.45429720
  H      2.40941766      0.53015519     -2.44868755
  H     -1.92121963      4.47520119     -0.99581080
  O     -2.10022812      1.41071185      0.34214875
  H      3.67458119     -0.02837166     -3.13761560
  H     -3.00173640      4.88090840      1.79569948
  O     -1.13399688      4.84993224     -0.58355398
  H     -2.28839088      1.46514058      3.47071006
  H     -2.32753035      6.07835007      2.51282828
  O     -2.14353549      5.25939034      2.06108051
  H     -2.42377952     -0.06927867      3.46974550
  H      2.83715156      3.10298085     -0.92460773
  O      3.75944388      2.81043386     -0.93388077
  H     -4.42325879      1.31961781      3.04636683
  H      3.77580022      2.02926601     -1.50068517
          69
 Energy    -247.98800053858858     
  O     13.08036072      5.97087890    -10.55061866
  H     13.74748145      5.37189764    -10.90419096
  H     14.54730433      5.39317147    -14.14785241
  O     16.21662627      9.86348865    -15.97936388
  H     13.57266950      6.65648711    -10.07653692
  H     16.87940102      5.94519230    -14.02063164
  O     17.08881439      9.13233042    -13.43825328
  H     15.52729672      9.19093621    -16.08262067
  H     18.13365378      6.45226677    -14.76751714
  O     14.83103455     12.17603677    -15.28181567
  H     15.77580508     10.70839104    -15.82222612
  H     14.69308853      8.24939239    -11.45919618
  O     14.68711703      8.03070401     -9.60597078
  H     16.84998132      9.46369388    -14.31352723
  H     15.46292846      8.70868639    -12.73962439
  O     14.12801827      8.05167530    -16.20918480
  H     17.38380551      8.21960928    -13.55937233
  H     15.27485709     10.78851004    -10.00618268
  O     12.66704164     10.28038453    -15.48213986
  H     15.00259708     12.23854077    -14.32495679
  H     13.78838786     11.20443352    -10.02628049
  O     15.82539999      5.76988298    -16.84461095
  H     14.82318181     13.06781922    -15.61875075
  H     15.31503397      4.41004189    -12.55801401
  O     11.13910205      7.00818906    -12.15571055
  H     15.63380148      7.97639166     -9.42913655
  H     15.29622455      3.39856697    -11.39404535
  O     17.49181977      6.08171244    -11.13416954
  H     14.44367830      8.95624541     -9.44921339
  H     13.08453027      9.31399593    -12.63300111
  O     13.28571896      6.59912786    -13.95820566
  H     13.82088660      7.46064230    -15.50903559
  H     11.62790203      8.84421473    -12.52101991
  O     15.36022318      4.88276533    -14.28914784
  H     13.54711919      8.82489970    -16.13910974
  H     17.57963753      7.44206665    -10.06921979
  O     17.69293507      6.45627853    -13.90883814
  H     13.29859457     11.00682670    -15.41718209
  H     18.11554246      8.06058129     -8.75598427
  O     14.60943298      8.40817410    -12.40757311
  H     12.38212426     10.09237314    -14.57933354
  H     19.28445294      6.07058931    -17.05198731
  O     14.45020478     10.73612748     -9.50462849
  H     15.28074845      6.56695939    -16.84052391
  H     18.64541340      7.46490059    -16.85022258
  O     15.25196277      4.33175539    -11.59168205
  H     16.74376574      6.06172292    -16.88353795
  H     17.18411707      9.86362948    -10.41622600
  O     12.16688946      9.62029782    -12.71292525
  H     10.30150279      6.59946222    -11.95625726
  H     17.07302116     10.13136800    -11.91406560
  O     17.50650230      8.21026135     -9.47415578
  H     11.78896606      6.62965100    -11.53500850
  H     15.84007993     11.80944278    -12.05790190
  O     18.60491006      6.53450695    -16.56961769
  H     16.73797639      5.48040995    -11.14645208
  H     14.36286982     12.26041723    -12.15754552
  O     16.89048679     10.53030863    -11.05002548
  H     17.74700851      6.19535643    -12.05884774
  H     18.98591052      9.92316710    -17.60033030
  O     15.21214006     12.28067526    -12.61702503
  H     12.41264248      6.59243326    -13.55416749
  H     17.71007430      9.48041549    -16.86042933
  O     18.53075781      9.15522638    -17.26599320
  H     13.81752069      7.19224089    -13.40143057
  H     12.38235533     11.15400967    -11.84505947
  O     12.67471398     11.95481101    -11.37779976
  H     15.54846659      4.97343929    -15.23450337
  H     11.90785496     12.51195906    -11.27470287
          69
 Energy    -247.98797092955965     
  O     11.92615616      6.15899791    -12.73564116
  H     12.39815639      5.40206316    -13.10064467
  H     14.49708089      6.37262515    -15.56998478
  O     16.97680747     10.22507030    -12.21362306
  H     12.46563168      6.45354811    -11.98689535
  H     17.35790669      7.22106858    -14.11060410
  O     17.61637885      9.01438748    -14.55594086
  H     17.37146183      9.81006861    -12.99453053
  H     17.98518341      5.89822880    -14.60213919
  O     16.05915936     12.83791599    -12.73256300
  H     16.73543094     11.12823050    -12.46015435
  H     15.45177190      9.19639420    -12.56253763
  O     13.81962390      6.95769957    -10.89422315
  H     18.35019405      8.85046505    -15.16522736
  H     14.41179460      8.09852463    -12.13461911
  O     15.47994318      9.76507719    -16.24881659
  H     16.86784967      9.30745386    -15.09236969
  H     13.57505189      9.69772570     -9.48379474
  O     14.35621620     11.76761321    -14.74164133
  H     15.63037776     12.82510624    -11.85797443
  H     15.05836539      9.43052571     -9.16493629
  O     16.89521896      5.80389108    -17.71647862
  H     16.53702590     13.66081294    -12.79468535
  H     13.58024860      3.18609154    -13.94357350
  O     11.06591773      8.21763238    -14.24579488
  H     13.98890172      7.55035925    -10.14898738
  H     14.14690371      4.53263843    -14.44506389
  O     15.69638694      5.21985602    -11.88857542
  H     14.55999893      6.34611345    -11.02332014
  H     13.28606727      9.84483068    -12.91827039
  O     13.68085180      7.92924049    -15.27188771
  H     15.14900840     10.57156612    -15.82713635
  H     11.84038392      9.76940237    -13.43528108
  O     15.06010058      5.58448799    -15.57644624
  H     14.81246437      9.08848373    -16.06646799
  H     19.59234503      4.71538137    -16.33990798
  O     17.28948349      6.25964748    -14.03781280
  H     14.91557713     12.21558912    -14.09493980
  H     18.32259763      5.50438321    -16.74474638
  O     14.65878822      8.72154258    -12.83270216
  H     13.60080012     11.42966716    -14.24671161
  H     17.50289506     10.22606154     -9.02175868
  O     14.18167349      9.02768293     -9.14630777
  H     16.86767926      6.73473260    -17.97123928
  H     16.87828104     10.22353353    -10.43611789
  O     13.69697850      4.10113015    -13.70006826
  H     16.14819799      5.65995066    -17.12026723
  H     16.94813748      9.09077377    -19.05034967
  O     12.47363375     10.36691210    -13.01974845
  H     11.31105347      7.46337897    -13.67678187
  H     16.46712414      9.09698007    -17.58401426
  O     19.05742117      5.46862413    -16.10548300
  H     10.18002426      8.05235629    -14.55533147
  H     14.10084968     12.12016749    -10.26023734
  O     16.68260123     10.35046495     -9.49215064
  H     15.05285015      4.72480757    -12.41041388
  H     15.56651886     11.87623158     -9.84616956
  O     17.02840827      8.62508537    -18.22136104
  H     16.33636918      5.56704718    -12.52286394
  H     19.42936611      7.33795500    -16.41767377
  O     14.98286993     12.51323507    -10.27738870
  H     12.73179655      8.01898396    -15.13234358
  H     18.69118832      8.42131265    -17.22797697
  O     19.35949140      8.29297838    -16.54236314
  H     14.09415191      8.14603014    -14.41937414
  H     11.66770111     11.32760678    -10.03129208
  O     12.53311360     11.09320972    -10.35795025
  H     15.83199884      5.79467078    -15.02907919
  H     12.42691432     10.87482549    -11.29816906
          69
 Ord_Energy   -247.987823    
 O   -3.53425789       10.4801006       2.13651896    
 H   -4.06419039       11.0054502       1.52345049    
 H   -2.93003702       9.96729851       1.58611166    
 O   -2.02451515       8.83227730      0.344163716    
 H   -2.31099844       7.93619585      0.587737679    
 H   -1.07819986       8.79781723      0.230532870    
 O   -6.41890001       7.92129326      -1.13156807    
 H   -5.62528038       8.43482208      -1.34765494    
 H   -6.29116344       6.99498129      -1.36894333    
 O   -5.64179897       7.26248980       1.42790854    
 H   -5.93752003       7.64296627      0.592608213    
 H   -5.50254297       7.96283865       2.07895923    
 O   -9.08335400       7.34154177       2.39375567    
 H   -8.47904968       6.61090040       2.59313631    
 H   -8.77023220       8.08580685       2.92278671    
 O   -7.11414909       5.45956373       2.81762409    
 H   -6.56581211       6.08038950       2.30812740    
 H   -6.50676203       4.97959709       3.39214921    
 O   -8.90265369       5.21741247      -2.73980904    
 H   -9.22925949       5.06773901      -3.62334108    
 H   -9.42832947       5.94973040      -2.37107682    
 O   -10.4219341       7.10995770      -1.51833022    
 H   -10.8327999       6.70751810     -0.743887067    
 H   -9.90910053       7.84863281      -1.16282260    
 O   -3.06720138       6.39294577       1.02569926    
 H   -3.98278856       6.67450142       1.18360591    
 H   -3.12537050       5.69960499      0.358614922    
 O   -5.21059608       11.7288380      0.219089925    
 H   -6.05967522       11.4611673      0.613796413    
 H   -5.30053234       12.6460972      -2.50667892E-02
 O   -7.75727940       9.43190765       3.80852437    
 H   -7.96729755       9.83617973       4.64691019    
 H   -6.80924320       9.21331692       3.83690119    
 O   -4.71562195       3.04158854       1.46186554    
 H   -5.64105654       3.06925797       1.17583394    
 H   -4.21965694       3.41439891      0.726296544    
 O   -7.29457092       3.69491935      0.686350882    
 H   -7.34009409       4.28211212       1.45338845    
 H   -8.19790840       3.57522297      0.361412436    
 O   -4.24836016       9.53915310      -1.32939839    
 H   -4.57429981       10.3374023     -0.892107606    
 H   -3.43516254       9.30271530     -0.868285060    
 O   -7.52902031       10.8925791       1.33214593    
 H   -8.03900814       10.3013515      0.761615455    
 H   -7.61485720       10.5297775       2.22018957    
 O   -3.54965353       6.54468203       3.88090730    
 H   -3.14165807       6.44935179       3.01204348    
 H   -3.99938369       5.70480967       4.03704453    
 O   -6.36676216       5.12196350      -1.51294124    
 H   -6.64788485       4.65518188     -0.710956514    
 H   -7.14837027       5.14075279      -2.08054185    
 O   -8.75585365       8.80787659      -5.88791110E-02
 H   -8.84262562       8.26737309      0.737361968    
 H   -7.94633627       8.52138424     -0.512306452    
 O   -11.0804615       5.95488358       1.02599370    
 H   -11.8897295       5.92296934       1.53096449    
 H   -10.4432373       6.45641375       1.55905712    
 O   -9.81011486       3.77574086     -0.375610143    
 H   -10.2946596       4.45125103      0.115181670    
 H   -9.59392548       4.16737509      -1.23064184    
 O   -4.96204662       4.05753279       3.98186517    
 H   -4.87146521       3.35306096       4.61809397    
 H   -4.78917027       3.66652250       3.10662413    
 O   -3.73273396       4.43740988     -0.902997851    
 H   -4.61652851       4.69120359      -1.21509480    
 H   -3.29949021       4.01104593      -1.63872063    
 O   -5.09838533       8.84462833       3.64162493    
 H   -4.51981688       9.49595261       3.21450734    
 H   -4.55652285       8.07956314       3.88370919    
          69
 Energy    -247.98780445630200     
  O     15.08907829      3.21348961    -11.66284321
  H     15.77340882      3.68034305    -12.16232687
  H     13.49294696      9.27052497    -12.89551083
  O     15.14322150     10.57913572    -15.23241892
  H     14.26123134      3.33691966    -12.14382802
  H     15.47871397      9.62272925     -9.97326665
  O     17.79084637      9.52355985    -12.44063313
  H     15.68439842     11.18543141    -14.70994224
  H     15.30157369      8.53535747    -11.06440280
  O     14.35929819     11.02824250     -9.47091272
  H     14.35143758     10.40725052    -14.70924876
  H     13.65876593      7.17101907    -11.69964498
  O     10.97644649      8.18201721    -14.04234554
  H     17.13974784      9.41599378    -11.73269993
  H     14.58431143      7.32085138    -12.94298627
  O     19.54103012      5.39717925    -13.83724867
  H     18.49103588      8.88195754    -12.25284454
  H     11.83489946      3.25336040    -12.94719847
  O     12.55785178      5.82681106    -14.63095098
  H     14.41870627     11.48870226    -10.32829193
  H     12.51885203      4.52804132    -13.49509203
  O     17.07120211      6.38307505    -10.34858269
  H     14.38489090     11.69986311     -8.79465279
  H     15.83621546      7.16226035    -14.68538716
  O     11.87348580     10.05931432    -10.60666229
  H     10.11174762      8.26449463    -14.43610427
  H     15.83793908      5.83830449    -13.87889391
  O     18.91951179      6.93826196    -15.99279841
  H     10.83621173      7.95661826    -13.10408127
  H     17.61915720     12.55968202    -13.58940771
  O     14.47900593     12.04738340    -11.97832667
  H     19.36921526      5.91809302    -14.64082161
  H     17.32499674     11.13530456    -13.06650847
  O     13.01748771      9.98904567    -13.34364220
  H     20.29298918      4.84087909    -14.02278672
  H     16.32126343      9.23385227    -15.22275237
  O     15.94655267      8.93246554    -10.45649897
  H     12.06187952      6.64388828    -14.50654436
  H     17.27826482      8.82768910    -14.07569071
  O     14.20641219      7.79633657    -12.19164120
  H     13.49269263      6.06748510    -14.69835711
  H     19.54626027      6.72609428    -12.44128969
  O     12.54379948      3.86833234    -12.77886851
  H     16.44532716      5.81090501     -9.88762511
  H     18.75212626      6.97933232    -11.14536052
  O     15.26670962      6.45215216    -14.36156235
  H     16.72178701      7.28238368    -10.27217686
  H     11.04306755      8.47061194    -10.97273678
  O     16.91220572     11.94433794    -13.41257168
  H     12.14053040     10.22621298    -11.51724460
  H     11.33822949      6.95881748    -11.04932824
  O     16.96341725      8.56256217    -14.95051580
  H     12.62964236     10.32225639    -10.07016061
  H     17.01260116      5.49297340    -11.96288548
  O     19.37224796      7.38874985    -11.76253148
  H     18.23759885      7.56569394    -15.70252772
  H     17.85756555      4.98390921    -13.16086581
  O     10.75351548      7.64583014    -11.39082754
  H     18.92064142      6.97215947    -16.94584206
  H     15.06545099      4.05187719    -10.13618135
  O     16.97364981      4.96627166    -12.77459904
  H     15.32809965     12.12476226    -12.43101433
  H     15.01468530      4.11916742     -8.58903785
  O     15.02993136      4.65969376     -9.37451781
  H     13.92702038     11.48647069    -12.53702381
  H     13.50453661      5.50309874    -10.16803455
  O     12.82575736      5.82087480    -10.77470076
  H     12.25357991      9.55791333    -13.74688722
  H     12.67378199      5.11254770    -11.41606287
          69
 Energy    -247.98775359145174     
  O     -5.64383318      1.31312409     -0.32054923
  H     -4.98949926      1.59604993     -0.97666098
  H     -2.28613925     -0.92107193      5.00937522
  O     -5.51603059      0.66918259     -4.26026937
  H     -5.51924831      1.83921230      0.47779057
  H      0.58639285      2.21247795      2.96003187
  O     -5.19265195      2.55060596      2.15683500
  H     -5.14625921     -0.21132664     -4.37859685
  H      1.73997047      1.38408655      2.36728174
  O     -0.44203874     -1.55486911      2.04745951
  H     -6.27581730      0.54877153     -3.66921374
  H     -0.37608069      4.06688829      0.00950391
  O     -2.31766373     -1.32521152     -0.02958818
  H     -5.85090866      3.04232257      2.64172081
  H     -1.50428268      3.01045533     -0.02135447
  O     -4.25568730     -1.98955954     -3.94687003
  H     -4.38406665      3.09094452      2.16011724
  H      1.54498839      0.65661583     -0.02065182
  O     -5.06248170     -1.28615910      0.36718442
  H     -0.96883313     -1.29409447      2.81240635
  H      1.39983079      2.15254351     -0.41992193
  O     -2.37144104     -0.48719263     -2.67462121
  H     -1.06064708     -1.61522905      1.30672964
  H      2.15020220      4.49448891      0.45304335
  O     -3.90242239      1.82122821     -2.38386445
  H     -2.24864649     -1.17966551     -0.98278843
  H      1.49937534      3.36498774      1.28767245
  O      1.90568522     -0.32783700      1.50951668
  H     -3.26120698     -1.38950652      0.17119050
  H     -5.48912500     -2.38997419     -2.65609176
  O     -0.18021028      1.07161835     -3.15062593
  H     -3.51860895     -1.51396931     -3.52578061
  H     -6.57199729     -3.35475958     -2.12648310
  O     -2.11881073     -0.56263302      4.14222279
  H     -3.88457010     -2.46781350     -4.68416056
  H     -1.28631118      1.62445511      2.16465381
  O      1.49588013      2.27841258      2.63578909
  H     -5.27853857     -0.37151692      0.12447543
  H     -1.49507338      1.11673091      3.60791545
  O     -1.30599850      3.94073705     -0.22063669
  H     -5.45833841     -1.84193542     -0.31323846
  H     -4.74242631     -0.66117093      2.11818594
  O      1.19261426      1.25067924     -0.69733253
  H     -2.94774120      0.26674382     -2.48046437
  H     -4.71859607      0.77333650      2.69233064
  O      1.44940166      3.84843305      0.44238331
  H     -1.52121036     -0.09892959     -2.92579118
  H     -1.82797617      0.41380569      0.28542491
  O     -6.13346610     -2.52699812     -1.94366351
  H     -3.24853447      2.47018181     -2.66490576
  H     -0.52762296      1.20117515     -0.01472030
  O     -1.21975640      1.88654574      3.09656119
  H     -4.45121139      1.56861695     -3.14440077
  H     -7.10808428     -0.80898392     -2.09947422
  O     -4.45970628     -0.13737569      2.87815626
  H      1.07290956     -0.78891094      1.71809478
  H     -6.93666766      0.60484819     -1.52272488
  O     -1.40538739      1.27475566      0.38481324
  H      2.60833697     -0.95545484      1.65507385
  H     -2.41606773      4.20012177      1.39029082
  O     -7.35449581      0.11202549     -2.24228728
  H      0.40801260      1.09152521     -2.38370405
  H     -2.28423192      3.35258942      2.67059977
  O     -2.87426159      3.96207242      2.20381820
  H     -0.61731780      1.93136207     -3.17154065
  H     -1.69548716      4.34951274     -3.42445581
  O     -1.72485156      3.54490819     -2.91263008
  H     -2.98668385     -0.45073148      3.71239769
  H     -1.57975882      3.79533891     -1.98494934
          69
 Energy    -247.98770859270456     
  O     14.64099356      9.10077783    -10.20245643
  H     14.75092713      9.93037268    -10.68645722
  H     15.31570157      3.94754718    -12.84048585
  O     14.42536434     12.03783686    -15.40467841
  H     15.37339588      8.99839315     -9.58240550
  H     12.00291760      7.67144034    -11.02339884
  O     17.60002384     10.48955886    -12.56247253
  H     14.56456834     12.68711573    -14.70388581
  H     13.10175116      8.15272451    -10.06089396
  O     12.23745320      5.83364181    -14.12121813
  H     13.90229401     11.32933713    -15.00897455
  H     19.51072110      6.63138719    -14.97837588
  O     16.41071133      5.81928777     -9.30073179
  H     17.96289078      9.86661272    -11.91635876
  H     18.37537621      7.66085312    -14.79390408
  O     17.70875123     12.89951369    -14.00085380
  H     16.67840201     10.65877402    -12.32752931
  H     16.15794845     13.50860634    -13.45128619
  O     15.18751290      7.22830257    -12.23396962
  H     12.72431754      5.34104976    -13.44142562
  H     15.17330644     14.59467557    -12.95103887
  O     14.91018122     11.13030840    -12.02925347
  H     12.68799648      5.65841022    -14.94489429
  H     12.60539333      9.35905606    -13.54839934
  O     17.63953467      6.04262546    -12.01678247
  H     15.49061251      5.53517931     -9.37526359
  H     13.90302712      9.22077164    -14.38293396
  O     18.44385175      8.56553664    -10.81946908
  H     16.84163190      5.64078990    -10.14268992
  H     16.93666731     11.87281816    -17.35037862
  O     16.10040123      5.57273512    -15.40437723
  H     17.59194064     12.54995070    -14.89244763
  H     15.98602891     11.71358952    -16.14099238
  O     16.17516085      3.79033276    -13.25560328
  H     17.86665379     12.12846898    -13.43745164
  H     10.46473676      8.17720589    -12.93360345
  O     12.38897826      7.50393837    -10.15674373
  H     14.98016486      7.89800114    -11.57140118
  H     11.66954872      7.29269127    -13.32290328
  O     18.63837434      6.74439207    -14.60796251
  H     15.12896742      7.61650930    -13.11591432
  H     13.12093795      4.80400247     -8.63969293
  O     15.23538293     13.67277167    -13.18413761
  H     14.33411412     10.69832060    -12.67748041
  H     13.11474427      6.01485201     -9.60434252
  O     13.32650970      9.86402310    -13.94183156
  H     14.95442425     12.06212477    -12.27491866
  H     14.28690885      5.68615577    -12.18750429
  O     16.90120062     11.57610179    -16.44500261
  H     16.77471701      6.47939214    -12.09857073
  H     13.64525382      4.72079902    -11.17971613
  O     11.41009015      8.09182624    -12.83183343
  H     18.09105398      6.19939813    -12.85642564
  H     15.98730980      8.56030516    -14.98689956
  O     13.59334163      5.19950847     -9.36720235
  H     18.31991529      7.67533956    -11.16770112
  H     15.34607938      7.15961882    -15.14918432
  O     13.83504492      4.82883262    -12.11833751
  H     17.98529472      8.58087838     -9.97039457
  H     16.65397329      7.43822912     -8.71353108
  O     15.15903917      8.07311386    -14.88453663
  H     16.03651264      4.84856720    -14.76576158
  H     16.99556487      8.45971084     -7.59916568
  O     16.77589535      8.38669664     -8.52376419
  H     17.01121957      5.88127153    -15.32679300
  H     17.49868524     10.02101041    -15.63480530
  O     17.66175630      9.29815663    -15.01632041
  H     16.79652058      4.33702771    -12.76251261
  H     17.69105107      9.69366468    -14.13073709
          69
 Energy    -247.98769561854033     
  O     17.53179814     10.02805085    -14.73980887
  H     17.49676435     10.98145613    -14.89875887
  H     14.20563672     11.94229838    -13.16068687
  O     14.40236852      7.53335994     -8.94864897
  H     17.00200031      9.57695314    -15.40913121
  H     13.21224052     10.75804594    -10.01618632
  O     17.43638058     12.75097229    -14.81520189
  H     14.54384290      6.81414347     -8.33916385
  H     11.79635382     11.35343887    -10.20744679
  O     12.48210145      8.00220799    -10.99732050
  H     15.09191816      7.46510249     -9.63295477
  H     18.28857764      4.05559311    -12.86866091
  O     15.93011268      8.45118698    -16.39852051
  H     16.64648619     13.04056799    -14.34386628
  H     16.99511929      4.68728054    -12.35678344
  O     19.12398055      8.06112336    -13.72146392
  H     18.17400550     12.87513509    -14.20227337
  H     17.14075370      7.27657995    -10.96379374
  O     20.15888950     10.28425621    -12.22215557
  H     13.03858939      7.76150345    -10.24639981
  H     16.11076462      8.31374850    -11.48672238
  O     18.89909830      6.89772789    -11.23181753
  H     12.35846769      8.95630013    -10.93406587
  H     18.01683974     13.22950195    -11.72700580
  O     12.85139977      6.66420551    -13.32436042
  H     15.69887970      8.51644034    -17.32092092
  H     17.16972808     12.53226548    -10.64884543
  O     15.21616761     13.48411963    -13.09724815
  H     15.11141973      8.60021153    -15.89105145
  H     16.86205975      6.99466310    -15.53622900
  O     13.73440603      8.88298031    -14.89852526
  H     18.65405807      7.33098161    -14.15140330
  H     16.65300876      6.09743880    -14.30633940
  O     13.78227442     11.07472126    -13.10110060
  H     18.67989680      8.84741584    -14.07409239
  H     16.68158585      9.87787572    -13.15585893
  O     12.47463263     10.84814894    -10.64715942
  H     19.99010791      9.98114627    -11.32251440
  H     15.28777825     10.21631353    -12.57083372
  O     17.89389052      4.44392446    -12.08876425
  H     20.00080077      9.52055290    -12.78957266
  H     19.73485044     11.93662849    -12.64566866
  O     16.20095373      7.49564696    -10.97457900
  H     18.68146102      5.97253396    -11.40929605
  H     20.30965759     13.34542475    -12.90350362
  O     17.18355868     13.29402255    -11.24267040
  H     19.02905671      7.32019809    -12.09600412
  H     16.82664021     10.50518374    -10.83274400
  O     17.31436681      6.37091211    -14.95466096
  H     12.03698964      6.22069598    -13.54806922
  H     17.89924815     10.26829973     -9.74432170
  O     16.14709320      9.83492287    -12.35254362
  H     12.69280662      7.12824466    -12.48281295
  H     14.55261208      5.83684970    -13.14124469
  O     19.49201908     12.85838745    -12.84033963
  H     14.90382449     14.38516107    -13.11920667
  H     15.68267239      6.29492340    -12.21204487
  O     17.12562462     10.80091938     -9.95779026
  H     15.87452675     13.43518398    -12.38044907
  H     20.03740593      8.94920782     -8.97702989
  O     15.46543110      5.64593833    -12.89777498
  H     13.66482342      9.66963774    -14.34270557
  H     19.29231043      8.26329607    -10.14284892
  O     19.43220933      9.11500044     -9.69599013
  H     13.40900302      8.14012555    -14.37644475
  H     15.44163929     10.58751189     -9.18772686
  O     14.52657776     10.37971898     -8.95739825
  H     13.25483260     11.06327368    -12.29112418
  H     14.49857824      9.42886931     -8.79319240
          69
 Energy    -247.98757111100502     
  O     11.76390917     11.76094128    -11.90395331
  H     11.41063328     10.86505272    -11.96383253
  H     21.01628659      8.05019530    -15.79064471
  O     19.61767082      8.70434605    -11.48429923
  H     12.22553632     11.79165893    -11.05716796
  H     17.34111551     12.71249747    -15.04990548
  O     17.13407193     11.09849771    -11.19325751
  H     18.85751535      8.58285209    -10.90601656
  H     18.16685102     12.46471790    -13.77121413
  O     12.47328023      7.59145054    -13.97940312
  H     19.69900196      7.88041526    -11.98078505
  H     13.32716169      7.89800746    -16.97026850
  O     16.82194439      6.72583561    -12.65643624
  H     17.85443294     11.11889495    -11.83733527
  H     13.17937484      8.12562079    -15.44766631
  O     14.07848603      6.45361564    -12.00187832
  H     17.10795040     10.20207950    -10.83192470
  H     15.79600970     10.65026418    -12.36973913
  O     19.58142143      6.34708740    -13.12329656
  H     13.03778608      7.07085483    -13.38934182
  H     14.54170698     10.95675667    -13.25019067
  O     13.55077700     12.32371106    -13.91155314
  H     11.90827746      8.10744779    -13.39580771
  H     14.07393421     10.27038128    -16.32668695
  O     18.24873175      9.65575105    -15.56241577
  H     17.73616073      6.46602955    -12.81863997
  H     13.98404134     11.61200354    -15.55289065
  O     16.84028012      8.43165673    -10.44474725
  H     16.54187475      7.25007973    -13.42205170
  H     16.17563072     13.87436702    -13.41805629
  O     16.96559611     11.87133849    -16.69631268
  H     15.01911960      6.35410502    -12.19910163
  H     15.44015183     15.21937048    -13.21212622
  O     20.21192351      7.73533170    -15.38546839
  H     14.01925155      7.19542684    -11.38925366
  H     15.26866564     13.56415479    -11.28361370
  O     17.51635270     13.05718099    -14.16505305
  H     19.82612163      6.78956085    -13.95428263
  H     16.04895716     12.41858606    -10.61935127
  O     13.67172199      8.40625730    -16.24122926
  H     20.12269625      5.56458418    -13.05714425
  H     14.04192809     12.09335861     -9.81490797
  O     15.07396163     10.24665657    -12.86932129
  H     14.08457527     13.08082387    -13.63838280
  H     13.08755007     11.82670035     -8.62750438
  O     14.38912176     11.18148466    -16.31848573
  H     12.83875091     12.21146115    -13.26410266
  H     18.83605414     10.44470928    -13.97688351
  O     15.37497484     14.28328513    -13.04255617
  H     17.91637264     10.40925515    -16.06492035
  H     19.42512704     10.16779917    -12.57532486
  O     15.30885051     13.02869744    -10.48320471
  H     17.46683646      9.16174371    -15.27194698
  H     10.68142742      8.42252156    -11.22403944
  O     13.33343426     11.50658808     -9.49106304
  H     15.91441990      8.51995988    -10.20022074
  H     12.14213959      8.90533421    -11.32464562
  O     19.08212209     10.87205022    -13.14590200
  H     16.84998958      7.82464223    -11.20125410
  H     14.28529841      9.38784990    -11.50707044
  O     11.27375215      8.95331804    -11.75291540
  H     16.03048374     11.61830047    -16.58683277
  H     13.72446925      9.81368831    -10.13035602
  O     13.91178687      9.04012916    -10.67997999
  H     17.03066752     12.32607704    -17.53157536
  H     15.65616782      9.07181941    -14.03834401
  O     15.98108574      8.40863774    -14.66859895
  H     19.54816736      8.42727856    -15.53732359
  H     15.27359652      8.28041947    -15.31091837
          69
 Energy    -247.98748321214430     
  O     16.74833429      9.60270085    -10.81284445
  H     15.97917324      9.21896346    -11.25395185
  H     13.26505134      9.93808825     -7.13443284
  O     15.28387917      5.95524411     -6.31278882
  H     17.39139263      8.89525860    -10.65856100
  H     13.83874592      8.68509108     -5.10535000
  O     17.16053874     12.19116417    -10.14537985
  H     15.35885157      6.53008410     -5.54230369
  H     12.78567475      8.02749724     -6.00137307
  O     12.43848747      6.30431369     -6.67535952
  H     14.34452933      5.96224432     -6.53095944
  H     17.00686035      4.68213919    -10.85422907
  O     14.45636982      8.32449760    -11.75819254
  H     17.20449896     12.74520479    -10.92015507
  H     16.46429255      3.33003498    -10.32338942
  O     18.44304133      7.58677791    -10.01134009
  H     17.00628956     11.28182878    -10.45718100
  H     18.14145016      6.39543488    -11.45009087
  O     20.44974054      9.00002251     -8.67977061
  H     12.22270495      6.50208096     -7.60318452
  H     17.21152578      6.15558374    -12.66835485
  O     17.50235880      5.83246101     -7.97678323
  H     11.77240605      5.69677209     -6.36454563
  H     17.70524686     11.98336588     -5.09649279
  O     12.06909051      6.87464024     -9.29436616
  H     13.69731612      8.81680012    -11.42354234
  H     17.41151061     10.71486485     -5.93515397
  O     15.43690289     12.22125030     -7.85039575
  H     14.57649862      7.57821394    -11.14950863
  H     15.37952813      7.55504365    -13.14836680
  O     12.33084796      9.55669126    -10.34821602
  H     18.06477508      7.05679910     -9.29589827
  H     15.61683530      7.05442794    -14.58047322
  O     13.45668836     10.32940029     -8.00037416
  H     19.21129006      8.04151794     -9.64288819
  H     14.87464055      9.19088131     -8.19686800
  O     13.11063074      8.88775897     -5.70409687
  H     21.36732299      9.18383283     -8.86185758
  H     16.10430954      9.07398619     -9.12709915
  O     16.55701930      4.25213944    -10.10347662
  H     20.01354932      9.85915930     -8.53756613
  H     18.71419709     11.52920575     -7.46407330
  O     17.76491604      5.70722164    -12.01406732
  H     17.30642177      5.13160618     -8.60967576
  H     18.57004766     11.70948254     -8.98110796
  O     17.54209844     11.67787231     -5.98478942
  H     16.73956241      5.88026200     -7.37955887
  H     16.09469908      8.38018192     -4.80888228
  O     16.01038627      7.08215331    -13.71175195
  H     11.98988463      7.76208216     -9.66049862
  H     15.77972422      7.88559521     -3.37724408
  O     15.68097223      8.68161671     -8.35405311
  H     12.96143536      6.57914735     -9.52983383
  H     15.14786916      7.01572019     -9.14117521
  O     19.15713931     11.35357747     -8.30310864
  H     15.95233001     12.30881650     -8.66147972
  H     15.31579468      5.63566975     -9.86130721
  O     15.40711472      7.97898680     -4.24995159
  H     16.08754885     12.12881992     -7.14412358
  H     18.83847449      6.73014145     -7.00909399
  O     14.75557683      6.41636650     -9.79184772
  H     11.61421452     10.14535112    -10.57050387
  H     19.83926268      7.89312088     -7.23026163
  O     19.34439171      7.41739376     -6.55176738
  H     12.70554827      9.88042269     -9.50966892
  H     16.65365855      8.83739038     -6.85590175
  O     17.17692220      8.98364601     -6.05343093
  H     14.07066768     11.07147584     -7.89211540
  H     17.98690164      8.45907138     -6.13347164
          69
 Energy    -247.98745214356120     
  O      1.23289297     -0.33757003      5.18290499
  H      0.44576435     -0.88848665      5.34194215
  H     -5.27416154     -0.35354897      3.06369176
  O      1.64190450     -1.01450866     -2.71339905
  H      1.83003510     -0.49357493      5.91056357
  H     -1.15903824      3.49287396      1.27228450
  O     -1.01660807     -1.83203673      5.35831549
  H      0.97068984     -0.40957246     -2.36771632
  H     -1.63010456      4.88517330      0.78910956
  O     -0.18776098      0.41598210     -1.12388399
  H      1.31533327     -1.89746533     -2.50146412
  H     -2.51731145      0.28071888      4.01060132
  O      0.65686345     -3.43543154     -1.50010201
  H     -1.11179869     -2.28857861      4.51684690
  H     -2.80732274      1.08352662      5.28983993
  O      2.55943648     -2.79776500      0.34554875
  H     -1.72363219     -1.16928919      5.36992269
  H      0.77598001      1.95504420      1.56171521
  O     -3.71097334      3.14766337      2.97567777
  H      0.48576680      0.56166139     -0.44696513
  H      0.20654035      2.49262870      2.92117858
  O     -3.71576102     -3.29891379      2.81388572
  H     -0.66396149     -0.38460574     -0.86203162
  H     -1.56334661      1.65348767     -1.27263768
  O      0.25603271      2.32907042      4.65147362
  H      0.75017243     -4.34303291     -1.77734706
  H     -2.27671998      2.82458083     -0.54959930
  O      3.66531374     -0.49725715     -0.96862188
  H      1.33050332     -3.28064194     -0.81358220
  H     -1.17158888      1.05136188      2.20006400
  O     -5.37135692      1.08232939      1.79555369
  H      2.26951280     -2.45909649      1.20208872
  H     -2.39627319      0.30968006      1.57890698
  O     -5.01979524     -1.05452383      3.67467025
  H      3.08357205     -2.09140900     -0.05238456
  H     -0.84960624     -2.54498973     -0.84711456
  O     -1.91943066      3.98468436      0.91434039
  H     -4.30041442      2.47367001      2.61794559
  H     -1.37399850     -2.20694064      0.56234610
  O     -2.85030890      0.19542498      4.91783064
  H     -3.18394537      3.47450177      2.23607493
  H      0.55365872     -1.89607423      2.53011563
  O      0.04763248      2.44385008      1.96487303
  H     -4.24489732     -2.53666029      3.10491651
  H      1.48981888     -1.09143623      3.46632468
  O     -2.41543095      2.10376214     -1.17564040
  H     -4.24497243     -4.07179054      2.98994420
  H     -2.79352094      3.58718012      5.97440368
  O     -1.79702789      0.33016932      2.33594315
  H      0.53690225      1.44499895      4.91662832
  H     -2.92675551      3.04336484      4.53222013
  O     -1.47143299     -1.97897375     -0.37085428
  H     -0.62264665      2.48527058      5.01887076
  H      2.55882827      0.40052884      0.25879674
  O      1.42620425     -1.48172275      2.58589989
  H      4.49455304     -0.29054003     -1.39042059
  H      1.68545429     -0.07431848      1.44777234
  O     -2.47102900      2.91191534      5.38396606
  H      3.01791317     -0.65647092     -1.67902695
  H     -2.07926503     -2.78062324      2.55294219
  O      1.82474609      0.65778656      0.82968180
  H     -4.79335330      0.64964776      1.14425292
  H     -1.39497000     -1.37807063      2.46609331
  O     -1.22352923     -2.33478395      2.44626687
  H     -6.17634730      1.30910776      1.33539780
  H     -3.03102121     -0.78921808     -0.17404898
  O     -3.50709583     -0.00508571      0.11926347
  H     -4.38027188     -0.64752168      4.27518330
  H     -3.20934859      0.74305342     -0.42561125
          69
 Energy    -247.98740413449457     
  O      6.52128258      7.33799799     21.14938574
  H      6.44742769      7.35070532     20.17677992
  H      1.45315105     10.58747492     21.51236197
  O      2.88143679     10.86689360     17.68760910
  H      7.31638453      6.85603421     21.35972476
  H      0.85103559      8.65042943     17.59856535
  O      2.57171641      5.18871243     19.11673084
  H      2.07657924     10.45671737     17.34959669
  H      0.12853215      9.95135202     17.14185314
  O     -0.37682266     12.90053594     21.36489770
  H      3.28965151     10.20870353     18.27264285
  H      1.58583382      8.22186102     22.33463726
  O      6.63488407     10.04726619     17.55771605
  H      3.07106181      5.45645437     19.91087634
  H      2.77621186      8.60630647     23.22829542
  O      3.88884144      6.06314647     21.30825792
  H      2.33299194      4.27429217     19.23915243
  H     -0.45583919      9.56999918     20.99596236
  O     -1.84078768     10.75509926     20.56230625
  H     -0.12032515     13.35521977     20.55265453
  H      0.62305444      8.61160201     20.40986468
  O      5.86074623     11.90658741     19.74915274
  H      0.43140112     12.47606297     21.68426739
  H     -0.20914752     12.14564372     18.20307273
  O      3.81646127      8.97664877     19.43654115
  H      6.03439779     10.12078650     16.79981499
  H     -1.13923749     11.07847807     18.80357097
  O      6.08505359      7.57051099     18.51937725
  H      6.36246335     10.71207681     18.19740550
  H      3.03704479     12.09253098     18.88628999
  O      5.41222742      9.85037343     21.64905813
  H      4.78159071      6.42017164     21.32754988
  H      2.78648204     12.23912525     20.42268618
  O      1.96200895     11.37030995     21.77029940
  H      3.34808757      6.64609823     21.86277980
  H      1.59173805      6.76602790     19.04518874
  O      0.73437449      9.25405880     16.84931723
  H     -1.41702627     11.55840116     20.91466143
  H      2.24746261      8.14633533     19.22129593
  O      2.36813330      7.86251325     22.77190513
  H     -2.75362060     10.78009471     20.83607618
  H      4.36897626     10.13047372     23.01637870
  O      0.39140414      9.14806248     21.18143345
  H      4.96180102     12.26985399     19.71346634
  H      4.12046176     10.46269770     24.50970393
  O     -0.65384312     11.31430527     18.00370014
  H      6.45339262     12.65509969     19.77564734
  H      4.14043162      9.36889249     15.35697689
  O      3.16973593     12.68138757     19.64944756
  H      4.53389462      8.45961863     19.04619185
  H      4.04852291     10.59059432     16.25750890
  O      1.39672073      7.71046038     19.05370590
  H      4.12642752      9.26112499     20.30209206
  H      1.60970727     13.52344435     19.11704108
  O      3.67751065     10.26881311     23.68828452
  H      6.38999616      8.38966029     18.09941076
  H      0.76845766     14.57795400     18.36903786
  O      4.63753538     10.14668443     15.63175234
  H      5.53313375      7.07245152     17.89830578
  H      1.93496506      8.46125868     15.74679792
  O      0.70451422     13.76785778     18.86957584
  H      5.90768431      9.02967358     21.51918533
  H      2.31078777      7.74665704     14.43437910
  O      2.65956028      8.01180474     15.28255684
  H      5.72019801     10.51185878     21.01636198
  H      3.59804877      5.88438800     17.65140983
  O      4.18885400      6.33049414     17.03233504
  H      2.50195888     11.11182305     22.52648220
  H      3.63764931      6.84834011     16.43356197
          69
 Energy    -247.98739098002329     
  O     13.07016137      4.45214210    -10.81165798
  H     13.72906230      4.18389896    -11.46643265
  H     17.32144270      9.04113952    -11.13632009
  O     15.56487397     10.12365571    -15.11191538
  H     13.55789174      4.89962711    -10.11160389
  H     14.13938647      7.95091182    -11.29251518
  O     18.35094072      8.30789829    -14.00755020
  H     14.81046092     10.27879532    -14.52644440
  H     15.53746516      7.98888818    -11.95458415
  O     17.29743753     10.92706251    -11.03980362
  H     16.30668917     10.58002653    -14.70307058
  H     11.56101302      5.07613105    -11.37597742
  O     10.94992446      9.34974183    -13.38797148
  H     17.58254169      8.02961126    -14.52619990
  H     10.04051164      4.83942767    -11.52029403
  O     17.28294472      3.24402644    -14.15973178
  H     18.98869819      7.58000255    -14.03499116
  H     19.57238581      5.40592277    -13.39929928
  O     11.42136183      6.78469275    -14.11769812
  H     17.87242083     11.49986771    -10.53698754
  H     19.20950664      5.66096699    -14.87789774
  O     16.83644761      5.52662731    -10.70322404
  H     17.51899202     11.06169279    -11.97508656
  H     14.45455975      5.31031519    -13.75697210
  O     14.45941598     10.78312681    -10.46343697
  H     10.16720923      9.67493527    -13.82432438
  H     14.23406301      6.79466023    -13.44322400
  O     17.78767785      5.29638279    -16.11844938
  H     11.10885429      8.45109026    -13.73050899
  H     18.24413138     10.06469616    -13.87612756
  O     13.58284828     10.27532426    -13.13342112
  H     17.93712857      3.47050751    -13.48669328
  H     18.60791035     11.51260015    -14.28261839
  O     17.29563301      8.13605320    -11.46779682
  H     17.41682219      3.87139403    -14.88077694
  H     15.43549866      6.96677359    -15.12208724
  O     14.59523271      7.89759399    -12.14205013
  H     11.13287579      6.26303022    -13.35734853
  H     15.89114093      8.39471794    -15.53777206
  O     10.73057429      5.47423453    -11.69262829
  H     12.33007433      6.50972404    -14.29476988
  H     18.22917524      4.65449228    -11.47934261
  O     19.74984266      5.98986218    -14.14705387
  H     16.16157568      5.58200607    -10.01526427
  H     19.46183447      3.72907590    -11.41925363
  O     14.16339451      6.13922199    -14.15696599
  H     17.06428669      6.44164869    -10.92463380
  H     10.97937443      8.66144053    -11.57311145
  O     18.01612756     11.00087017    -13.73624035
  H     15.40550559     10.90809405    -10.59590487
  H     10.88166655      7.22989709    -11.01804665
  O     16.16272697      7.46484469    -15.52302231
  H     14.07230486     10.81475478    -11.34873867
  H     15.82884745      3.64596519    -13.17047709
  O     18.93247911      4.25422358    -12.01512417
  H     17.85040698      5.14596926    -17.05885815
  H     15.74401624      4.61999864    -11.97454288
  O     11.08027466      8.14135187    -10.76728024
  H     17.20045929      6.06057441    -16.00105849
  H     14.59375057      5.78001060     -7.98126281
  O     15.20622889      4.09187639    -12.57909089
  H     13.96450412      9.43685963    -12.82974191
  H     14.27908983      6.80878465     -9.08959715
  O     14.67278867      5.93521097     -8.91937858
  H     12.64395490     10.09812357    -13.27310865
  H     13.84992095      9.21860924     -9.73833138
  O     13.52792790      8.31586134     -9.60104237
  H     17.72755600      8.14400061    -12.33424536
  H     12.60444709      8.28197479     -9.89855515
          69
 Energy    -247.98735813231355     
  O     -2.14535613      4.24764400      0.86290506
  H     -1.20504701      4.08665288      0.74252344
  H     -5.98874940     -1.19908422      3.07492311
  O     -2.68819267      2.72534342      3.17842188
  H     -2.35058816      3.92743676      1.75320743
  H     -3.39433233     -1.26778348      3.21091518
  O     -0.38892335     -0.36419950      4.84359280
  H     -2.18606536      2.70698570      3.99969372
  H     -2.15551601     -2.02636823      2.64128666
  O     -1.62095217     -3.10456666      1.31748647
  H     -2.29711725      2.03725206      2.61667456
  H      1.06546375      1.36014605      0.60634548
  O     -0.90754660     -0.71944087     -2.59815695
  H     -0.60339641      0.53523571      5.11787049
  H      1.38209378      0.36093089      1.75886718
  O     -3.44969299     -0.43633752     -1.77351869
  H     -1.15231926     -0.70030759      4.35008480
  H     -4.54194444     -1.83315035      1.04800544
  O     -5.01223374      1.63562548      2.01177187
  H     -0.99332182     -2.69266002      0.70673000
  H     -3.30725793     -2.62957968      0.58021177
  O     -3.30382525      2.02188689     -0.32647550
  H     -1.13266177     -3.77199620      1.81562930
  H      1.76123829     -2.67046780      4.42313833
  O     -0.73593487      1.97984516     -1.63874529
  H     -0.89077160     -0.96039969     -3.52053596
  H      0.43138429     -2.09500286      4.95398713
  O      0.28528346     -1.90819531     -0.34876990
  H     -1.84697507     -0.66822940     -2.33969271
  H      0.27688148     -4.11009975      3.61990102
  O     -1.73539892      0.70213428      1.52466168
  H     -3.62253693      0.43777211     -1.40760948
  H     -0.03131171     -5.58758949      3.27524274
  O     -5.13957682     -0.99136467      2.69450633
  H     -3.73893817     -1.07606315     -1.10494856
  H      1.39913617     -3.99846881      1.74597283
  O     -2.43276353     -1.34145422      3.26799833
  H     -4.72203003      1.79552997      1.10719033
  H      1.52587303     -2.97354698      0.60169631
  O      0.99589538      0.43823783      0.87460914
  H     -4.37145521      2.10201096      2.56621980
  H     -0.59973658      2.97326234      6.01503846
  O     -4.10028545     -2.17804819      0.26400332
  H     -2.79642957      1.43824941      0.26376376
  H     -0.13087770      2.71157493      4.56381545
  O      0.88985088     -2.92050796      4.75491416
  H     -3.07262098      2.92162994     -0.05240715
  H      1.52368760      2.11433456      3.32550023
  O      0.03462388     -4.71536736      2.89627481
  H     -0.64324420      1.09494671     -2.01135022
  H      0.87093152      3.09980693      2.32947595
  O      2.02884459     -3.42469070      1.29169791
  H     -1.66362494      2.05650852     -1.38501629
  H      2.89348270     -2.58070266      2.54935776
  O     -0.77664252      2.44315356      5.24202695
  H      0.60140896     -1.09223903      0.06761587
  H      4.16759351     -2.45150283      3.41912395
  O      1.03742381      2.94961528      3.26451263
  H     -0.09626868     -1.63484198     -1.19177764
  H      1.13550924      0.03457090      3.93909111
  O      3.27048928     -2.14104662      3.33294956
  H     -0.80943821      0.58231364      1.28802954
  H      2.51909134     -0.47111952      3.44032895
  O      1.92793687      0.29222313      3.44415682
  H     -1.99704716     -0.04568649      2.07627143
  H      0.17293758      2.82601335     -0.44644175
  O      0.65800412      3.23214454      0.29719245
  H     -5.16124672     -0.04742733      2.45792407
  H      1.26929217      3.85749712     -0.08643078
          69
 Energy    -247.98733845382020     
  O     16.20929225     10.52827385    -10.02051883
  H     15.45968429     10.15702551    -10.50786955
  H     12.70898286      7.26796970     -4.39808359
  O     16.21890969     12.72248305     -8.42777757
  H     16.99210440     10.01862356    -10.27318326
  H     18.16647547      3.69153891    -11.89826943
  O     12.89937239      5.64676392     -7.50443009
  H     16.07011208     13.51824759     -8.93176372
  H     17.36489043      4.95442191    -12.25831007
  O     14.19234169      9.20749792    -11.30973412
  H     16.18714416     11.98001526     -9.05648923
  H     15.49906031      6.97340468     -8.25237700
  O     18.26560481      8.81925655    -10.65529374
  H     12.37415569      6.02741709     -8.22455739
  H     14.54541250      5.75081095     -8.10872366
  O     20.10674220      9.99265214     -8.89946338
  H     12.77723310      6.21899223     -6.74016383
  H     17.77180924     10.85802690     -3.95642521
  O     18.00114956      6.29127597     -9.48886255
  H     13.42950872      9.47815467    -10.78295129
  H     17.50108851      9.89553259     -5.13769125
  O     11.79061517      6.85895061     -9.74082621
  H     14.25503574      8.24656918    -11.20237122
  H     17.23279010      8.61545737    -12.22873326
  O     14.98395283     11.60245017     -6.10168812
  H     18.14595349      7.94035697    -10.26685705
  H     15.74173810      8.87653745    -12.53781904
  O     12.12274299      9.72671483     -9.45416758
  H     18.98695406      9.23831658    -10.16839743
  H     14.81281553      9.03094774     -7.59649363
  O     13.24561162      9.67934387     -6.94692789
  H     20.96853175     10.38708117     -9.00520085
  H     15.91170569      9.33815832     -8.64451734
  O     13.11880286      7.47013464     -5.23530984
  H     19.59196153     10.59383875     -8.33239196
  H     17.87305109     12.11974455     -7.72235838
  O     18.04758849      4.60889459    -11.66415666
  H     17.15761857      6.07512624     -9.07135029
  H     18.33109497     11.40755914     -6.44303121
  O     15.43007849      6.01718605     -8.40715899
  H     18.12492826      5.65876542    -10.21060915
  H     16.34771641      7.00122049     -5.39366621
  O     17.45096021     10.82543785     -4.85367148
  H     11.79924194      7.81980347     -9.66422349
  H     15.66108882      5.92819227     -6.24414596
  O     16.53647699      8.45034646    -12.87896081
  H     12.53750777      6.63536282    -10.31184131
  H     14.77212459      6.20050928    -10.17107643
  O     15.65289734      8.71660975     -7.95534657
  H     15.33081574     12.07439959     -6.86935627
  H     14.84688401      6.08314885    -11.72112638
  O     18.61522850     11.64049153     -7.33493089
  H     15.75648735     11.37111165     -5.57204300
  H     19.88260349      8.32794399     -7.95004775
  O     15.61418613      6.37041296     -5.39157296
  H     12.48424177      9.73656599     -8.55190961
  H     19.14785476      6.98912329     -8.16806790
  O     14.32442623      6.43789463    -10.99333303
  H     11.36562654     10.30753758     -9.45017020
  H     16.86865379      8.52612576     -6.63924156
  O     19.58638147      7.52960078     -7.49658138
  H     13.11829941      8.98402943     -6.28796968
  H     18.31009576      8.02198402     -6.36214802
  O     17.50510040      8.34443673     -5.93103334
  H     13.76392110     10.39951821     -6.55274308
  H     15.69189547      5.64355614    -14.07290340
  O     16.02828106      5.81172931    -13.19652226
  H     14.01201224      7.08366181     -5.20862623
  H     16.26002536      6.75783069    -13.16124759
          69
 Ord_Energy   -247.987305    
 O   -2.46133828      -1.19133115       2.85266399    
 H   -1.90387440     -0.600250721       2.33165812    
 H   -2.32014966      -2.08408737       2.51009512    
 O   -2.69949865       3.85964370      -6.06100783E-02
 H   -3.27473569       3.19161963      0.336535454    
 H   -1.86610782       3.81269622      0.423624605    
 O  -0.401426196      0.172235996      -1.42761481    
 H   -1.12029576      0.370915562      -2.04404569    
 H  -0.737909973      0.318768233     -0.531079769    
 O   -2.54141164      0.854811072      -3.11543822    
 H   -2.41469574       1.81166923      -3.10113502    
 H   -3.25705791      0.654991031      -2.49189329    
 O   -5.55772734      -2.77716780      -3.62655401    
 H   -5.14612246      -3.43689585      -3.03751516    
 H   -5.90099669      -3.25667119      -4.37661743    
 O   -4.31650257      -4.43302011      -1.92753911    
 H   -4.58962917      -4.63199282      -1.01815057    
 H   -3.51163244      -4.93163300      -2.12935400    
 O  -0.218691483      -4.78689814     -0.131705597    
 H   -7.14231431E-02  -3.95347834     -0.612609982    
 H   0.642442703      -5.12629557       9.94651467E-02
 O   -2.28865027      -3.60785007       1.45577002    
 H   -1.56286323      -4.12793255       1.09255600    
 H   -2.59226727      -3.05113721      0.722356319    
 O   -4.86966133      -4.63602924      0.716366529    
 H   -5.40884542      -3.84461546      0.869536042    
 H   -4.03235769      -4.47551346       1.16626859    
 O  -0.127143696      -2.52361870      -1.65474057    
 H   -4.94364984E-02  -1.56072116      -1.59478664    
 H  -0.267513216      -2.75949979      -2.58172488    
 O   -1.84474754      -5.47134304      -2.43859625    
 H   -1.29340374      -5.39420748      -1.65053785    
 H   -1.47827578      -4.86025238      -3.09000421    
 O   -9.36956108E-02   3.33153582       1.04768634    
 H   0.218835875       3.22267222      0.131702945    
 H   0.570687771       3.83555174       1.50909877    
 O  -0.903778493      -3.37495351      -4.18868017    
 H   -1.65140355      -2.76265740      -4.31157064    
 H  -0.473842680      -3.45750260      -5.03556585    
 O   -5.01613426     -0.302482963       2.74151969    
 H   -4.11574364     -0.662638783       2.84047961    
 H   -5.39639759     -0.275191963       3.61575603    
 O   -1.33975792      0.795487225       1.13006258    
 H   -2.26698852       1.06785262       1.07179487    
 H  -0.834369540       1.60675025       1.26774442    
 O   -4.37252569       2.66971793E-02  -1.26229405    
 H   -3.85064912     -0.767870665      -1.06392062    
 H   -5.27461529     -0.262481272      -1.44194090    
 O   -6.81812096      -1.18409979      -1.73569942    
 H   -6.45486212      -1.75794291      -2.42966318    
 H   -7.71351862     -0.974197924      -1.98944747    
 O   -2.88533473      -2.23479462     -0.913115799    
 H   -1.97152507      -2.29444456      -1.21578145    
 H   -3.36553550      -2.98683214      -1.28682017    
 O   0.489106297       2.85375738      -1.57295108    
 H  -0.262861192       3.19542956      -2.07244110    
 H   0.392829120       1.89193106      -1.59626472    
 O   -2.06532383       3.59612226      -2.68789554    
 H   -2.29866958       4.39002323      -3.16157794    
 H   -2.35623431       3.72378755      -1.76668382    
 O   -2.95967627      -1.63186979      -4.40343237    
 H   -3.84915447      -1.89200187      -4.14255810    
 H   -2.81537724     -0.736745536      -4.06856155    
 O   -4.02703714       1.60328555      0.939239442    
 H   -4.20358992       1.11314869      0.121714219    
 H   -4.44906569       1.09678888       1.64402854    
 O   -6.22079086      -2.22705388      0.953055263    
 H   -6.46954155      -1.82778215      0.113594808    
 H   -5.85153294      -1.52561939       1.50285912    
          69
 Energy    -247.98717019992574     
  O     14.72749470     10.16990050    -10.63788356
  H     14.47152955     10.63914608    -11.44388565
  H     12.37902536      8.13809948    -10.21276475
  O     13.24339500      9.84743550    -16.57486652
  H     15.51709613     10.58154417    -10.26532992
  H     18.11852338      7.12959878    -14.92921599
  O     16.54374309     10.51983185    -14.26055459
  H     13.67103779     10.67617724    -16.32469607
  H     18.22661247      5.76726597    -14.22121553
  O     13.16952719      5.35948042    -12.26032530
  H     12.95868921      9.42782039    -15.75418413
  H     15.54486027     11.64123726    -15.32561954
  O     17.19919649      8.33321986     -8.55268998
  H     15.71782360     10.50708761    -13.76046159
  H     15.05918861     12.92720685    -16.03000507
  O     15.86040506      7.84116767    -11.71840792
  H     17.24206265     10.66714375    -13.60497846
  H     13.56584362      7.93946477    -14.10483613
  O     13.97521136     10.99988314    -13.13800328
  H     13.72085810      5.63857205    -13.00002077
  H     12.30004798      8.29258684    -13.29070999
  O     18.62875333      7.98744010    -11.98835615
  H     13.76223978      5.30508006    -11.49623474
  H     14.98320308      8.34838744    -18.83882073
  O     18.27787588     10.71552038    -12.17060258
  H     16.37093112      7.91374189     -8.29114721
  H     14.44539788      8.93400013    -17.52032449
  O     16.81000516      4.49481236    -13.78526256
  H     17.77379285      7.63536776     -8.88925944
  H     12.02800208      6.64410185    -11.93755574
  O     17.45224012      4.45861393    -10.97878186
  H     16.81841316      7.95396252    -11.78671525
  H     10.59181842      7.19536555    -11.76461481
  O     12.90276204      8.46152946     -9.47228681
  H     15.48478362      8.63727469    -11.32397897
  H     14.30174069      7.00610540     -7.02184399
  O     18.68698262      6.60437753    -14.34795155
  H     14.00666738     11.59561713    -13.89439938
  H     13.97460448      7.61189529     -8.40800890
  O     14.75525638     12.10875429    -15.64619552
  H     13.51999741     10.19477294    -13.42825278
  H     14.88621843      5.95608261     -9.33543787
  O     12.87716397      8.60733761    -13.99864557
  H     18.89280957      7.43829308    -11.24151709
  H     15.37076758      6.41646202    -10.72157121
  O     15.19574575      8.46008172    -17.91664938
  H     18.76396923      7.48479839    -12.80598848
  H     18.44904679      5.62108594    -10.15659456
  O     11.50779370      7.45807864    -11.81232996
  H     17.95982428     10.91479546    -11.28328006
  H     19.70083099      5.96499886     -9.31544912
  O     14.65225052      7.12912761     -7.89965430
  H     18.55753279      9.78834847    -12.13177955
  H     15.29767035      7.10692154    -13.17905976
  O     15.06490829      5.63873419    -10.22802007
  H     16.14453874      5.18935104    -13.89839797
  H     15.56505350      7.12574635    -14.70755625
  O     18.93081864      6.34965070     -9.72571111
  H     16.51569120      3.75080830    -14.30668372
  H     17.44803793     11.47103455     -8.81508420
  O     15.03034396      6.69931321    -14.02108625
  H     17.34023142      4.38355103    -11.93284594
  H     17.23541484      9.97582632     -9.14710947
  O     17.17456847     10.87836692     -9.51006320
  H     16.58040401      4.70439420    -10.63608890
  H     16.71487309      8.96907847    -15.23273296
  O     16.70742027      8.10623216    -15.66980364
  H     13.47338526      9.15688664     -9.83228921
  H     16.27825000      8.21244783    -16.53103221
          69
 Energy    -247.98682276967045     
  O     13.25714052     13.48340769    -10.04731715
  H     12.78282566     12.63696185    -10.11721946
  H     12.67940788     12.46170463    -14.43783442
  O     14.79749889     12.04167808    -18.09209426
  H     13.01770769     13.86287173     -9.20498486
  H     15.05744410     14.51459982    -16.11694820
  O     15.81249230      9.68911785    -11.20553450
  H     14.59111990     12.85803996    -17.60186096
  H     13.52948960     14.31533932    -16.03552946
  O     16.00150662     16.19657474    -12.70412745
  H     14.55948697     12.19835082    -19.00172338
  H     12.60700300     14.58332678    -13.87137366
  O     14.20432525     10.08902261    -16.16281834
  H     15.88801645     10.58635557    -10.85165140
  H     11.33762819     14.62918965    -14.75523180
  O     16.88360606      7.23457923    -11.80806753
  H     14.92189778      9.62611330    -11.57878284
  H     19.11000297     13.16636268    -14.07546435
  O     16.18787137      6.71970690    -14.40621459
  H     16.20779169     15.77251874    -13.55491242
  H     18.74095552     12.02237068    -13.12647788
  O     15.58967893     12.60789333    -13.44023088
  H     16.21184851     17.12214449    -12.80137600
  H     11.29045662     10.56805179     -9.90264166
  O     13.23327272      9.64465722    -12.30243171
  H     14.30208161     10.68148046    -16.91878426
  H     12.42831329     10.46824719    -10.92760785
  O     16.80945937      9.21477444    -15.59371002
  H     15.09995583      9.79495841    -15.94066630
  H     16.58903992     11.71704217    -17.51396002
  O     18.81052650     13.55304028    -15.95066636
  H     17.60275370      7.03337900    -11.21425182
  H     17.34212790     10.65258167    -16.69226201
  O     13.10541008     11.64244041    -14.16096501
  H     16.49655330      8.06391025    -11.48400008
  H     14.39417049      7.40382031    -14.40856662
  O     14.28355781     14.25221246    -16.63341666
  H     16.45503875      6.86271105    -13.48189367
  H     13.60925776      8.53062832    -15.10288740
  O     12.20597199     14.24118711    -14.69140499
  H     16.36664876      5.80422139    -14.60530580
  H     18.21286225     13.89582577    -11.86209142
  O     19.10181769     12.91794032    -13.14401226
  H     14.71301730     12.28955956    -13.68874318
  H     17.15521873     15.01341569    -11.65922078
  O     12.03607254     11.04748750    -10.25484081
  H     15.63581639     12.61295101    -12.47497413
  H     17.05297882     10.15662292    -12.57629972
  O     17.44136581     11.51821555    -17.10839084
  H     13.12565426     10.41540202    -12.88091434
  H     16.86543808     11.34949132    -13.51503684
  O     13.55568177      7.88080606    -14.39113507
  H     13.26742564      8.88626250    -12.90201316
  H     14.24955736     15.49242645    -12.43130603
  O     17.62659054     14.30516434    -11.20748833
  H     16.67965310      8.29673635    -15.33015035
  H     13.31740965     14.57113496    -11.60254700
  O     17.45883491     10.60457501    -13.32794925
  H     17.12213917      9.67737934    -14.80051493
  H     14.98693541     12.81592811    -10.32523761
  O     13.36862611     15.09929810    -12.40804481
  H     19.54019942     13.78619599    -16.51813092
  H     16.49301923     13.07552799    -10.68332848
  O     15.79908790     12.39815660    -10.63328040
  H     18.35847209     12.80100401    -16.37384463
  H     16.17868387     13.93922885    -14.40759692
  O     16.47427575     14.69921282    -14.93784522
  H     13.40382073     11.15084971    -14.94113012
  H     17.31811572     14.44506314    -15.33026330
          69
 Energy    -247.98681391998318     
  O     18.75373451      7.79096698    -10.68969089
  H     18.48568163      6.92624867    -10.34397024
  H     13.78157271     11.58391355    -12.15234954
  O     12.36486399      8.72027896    -12.51137523
  H     18.82216685      7.69117408    -11.64900502
  H     15.13915538      2.25362329    -10.64176829
  O     13.34728210      9.95746756    -14.88017932
  H     12.60701436      9.12494853    -13.35492205
  H     15.05111090      3.78310807    -10.74892607
  O     18.56821764      7.30765705    -13.41064878
  H     12.46962056      9.41066011    -11.84479430
  H     15.12676772      7.76168457    -11.76127662
  O     17.87057457      5.31617025     -9.82362075
  H     12.88455855     10.07611900    -15.70546277
  H     13.65422038      7.53958168    -12.20725533
  O     17.59668475      6.79674688     -7.44833220
  H     14.17260084      9.48614865    -15.09061432
  H     18.94291061      5.44989306    -12.77586326
  O     15.04265879      5.39983655     -9.95181943
  H     18.59718569      8.15230047    -13.87574158
  H     18.11549050      4.15054464    -12.81137157
  O     15.66696726      8.65220621    -15.42723900
  H     17.70395532      6.92457525    -13.62321081
  H     17.85272360     10.28358291     -8.17655280
  O     17.72573232     12.53718896    -10.42096157
  H     18.24776818      4.93282249    -10.62945156
  H     17.32693524     11.50137414     -8.96605773
  O     18.17692846      9.84019655    -14.63920012
  H     16.90910507      5.29069436     -9.91848947
  H     17.12329732      8.55723774    -10.87668284
  O     16.80158218     11.12512023    -12.66184500
  H     17.82285853      6.16471618     -8.14484959
  H     15.81678566      9.19912593    -10.29456597
  O     14.20344628     11.87746482    -12.96946755
  H     18.18667063      7.55052993     -7.56663577
  H     19.17973623      8.64306924     -9.17941986
  O     15.18285140      2.97334315    -11.26676844
  H     14.88403239      5.90287298     -9.14540164
  H     20.16880245      9.17135709     -8.11636006
  O     14.48717396      7.08278237    -12.02568466
  H     14.77210180      5.96444711    -10.69280943
  H     15.54709911     10.12679101     -8.53177536
  O     18.80655442      4.61125147    -12.31945014
  H     16.51619483      9.08141980    -15.27452395
  H     14.74413203      8.78388847     -8.40162230
  O     17.09384391     10.87070581     -8.26949867
  H     15.76601597      7.74814438    -15.10061036
  H     15.44838639      6.46495707    -13.38359242
  O     16.26691012      8.93818927    -11.10867501
  H     17.59736819     13.47167114    -10.56788442
  H     16.17365710      5.25933745    -14.04047545
  O     19.24601561      8.98554569     -8.27186574
  H     17.46040890     12.10267081    -11.24523144
  H     14.49940303      6.85007233     -6.81290086
  O     14.77801329      9.63103589     -8.86103228
  H     18.72515560     10.43565704    -15.14357025
  H     15.87750437      7.00168060     -7.50009378
  O     16.07608809      6.21733008    -14.07981733
  H     17.73810123     10.37427961    -13.95453542
  H     13.58250562     10.39194037     -9.95609691
  O     14.91569851      7.07269479     -7.64186018
  H     16.62809484     10.32999985    -12.13466377
  H     12.32800763     11.27631386    -10.09301775
  O     12.96850902     10.78184028    -10.59944899
  H     15.93235757     11.50960490    -12.85002901
  H     16.43360189      2.71577397    -14.18684588
  O     16.50900495      3.46891496    -13.60661989
  H     13.86324343     11.30124468    -13.66683087
  H     16.01091193      3.25338010    -12.79946150
          69
 Energy    -247.98673822895140     
  O     12.69587145     11.29695497    -14.85398598
  H     13.20527905     11.14527892    -15.65852157
  H     20.40541684      7.39959475    -14.01809957
  O     15.77341682      6.60227789    -13.20082976
  H     13.16681456     11.98447043    -14.36761322
  H     15.51000344     12.18528770    -16.20224478
  O     17.42678624      9.90708405    -10.99360226
  H     14.98624369      6.49307338    -12.64841375
  H     16.88328196     12.45715320    -15.52454063
  O     18.62529676     11.80450383    -15.33131507
  H     15.75728727      7.52327681    -13.50046462
  H     14.95101105      8.66468325    -14.85294961
  O     14.27960261      7.04572977    -15.66135779
  H     17.25872929      9.78707561    -10.05093408
  H     16.39017889      9.23080533    -14.82334755
  O     14.08994517      8.63432485     -8.64875609
  H     16.61927430     10.27915451    -11.37759267
  H     11.72196210     10.25466254    -13.87464183
  O     13.48139871      6.59924576    -11.63346564
  H     19.36277182     12.32856758    -15.63344237
  H     10.30378097      9.97952250    -13.32175793
  O     15.13295839     10.81768706    -12.21168883
  H     18.85198527     11.49006650    -14.43739991
  H     17.52084882      6.66245684    -10.08392708
  O     15.60852830      8.66806675    -17.51722095
  H     13.40429070      7.03922603    -15.24365518
  H     17.07647095      7.45281772     -8.84047759
  O     14.46035484      5.82074903     -9.11608712
  H     14.85167497      6.55792261    -15.05875805
  H     11.68292957      7.93009894    -13.85006441
  O     17.89859420      9.13849677    -15.86495372
  H     14.08107712      7.67077681     -8.70449849
  H     12.43025413      6.73422553    -13.23493998
  O     19.63979832      7.96324531    -13.94165922
  H     13.62264369      8.95136346     -9.43309590
  H     19.56133512      9.77311248    -13.26342331
  O     15.97543174     12.77490845    -15.59494040
  H     13.73195719      6.20462109    -10.78941159
  H     18.70271896     10.51119999    -12.21871085
  O     15.57460965      9.16317060    -14.30940045
  H     13.34872235      7.54369539    -11.46386776
  H     17.25511875      6.93151948    -12.28139799
  O     11.20870964      9.68232806    -13.27649439
  H     14.89354317     11.69907397    -12.52080474
  H     17.79927738      8.20009982    -11.54689373
  O     17.07776613      6.57005836     -9.23197645
  H     15.25262548     10.26443957    -13.00147750
  H     15.74756587      9.12101893     -8.42758771
  O     12.06006210      7.06789368    -14.06266407
  H     15.12246578      7.97915864    -17.04203083
  H     16.85879136      9.67705314     -7.50451587
  O     19.28422310     10.65213143    -12.97735956
  H     16.48124110      8.71925765    -17.10686442
  H     13.99952064     11.33114601    -18.03076108
  O     18.02948320      7.30207385    -11.82988598
  H     14.35575702      5.05951809     -8.55180141
  H     14.79178489     10.20428358    -17.33728610
  O     16.70686196      9.27694001     -8.35627068
  H     15.41550110      6.00297919     -9.16791326
  H     12.32143536      9.47483787    -11.78844066
  O     14.35808933     11.06161460    -17.18852488
  H     18.50838306      8.64050723    -15.30579762
  H     13.78138501      9.87903413    -11.47614932
  O     13.04766429      9.32651065    -11.17026153
  H     18.18615138     10.06076716    -15.83146285
  H     14.99255487     13.11394883    -14.23281374
  O     14.36947426     13.18083724    -13.48507252
  H     19.12379279      7.63091736    -13.18748965
  H     14.24917153     14.10862753    -13.30516795
          69
 Ord_Energy   -247.986710    
 O   -6.32954597      -2.96928048       8.26816940    
 H   -6.85145044      -2.31064367       8.71846485    
 H   -5.60462332      -3.21609664       8.87077236    
 O   -6.83914137      -10.4151802       4.51591206    
 H   -7.54150105      -9.74851418       4.62752676    
 H   -7.20192194      -11.1124249       3.97682071    
 O   -5.94647455      -6.34109545       10.1501055    
 H   -6.20242167      -6.08453178       9.25502586    
 H   -6.60188627      -6.98561335       10.4440365    
 O   -1.21837735      -8.24235535       5.71391106    
 H   -1.95715916      -8.62128067       6.21089554    
 H   -1.55876195      -8.07702923       4.82801771    
 O   -5.09648323      -8.22703934       3.91078758    
 H   -5.59522772      -9.03891087       4.05308390    
 H   -5.68479300      -7.50217819       4.15556765    
 O   -3.50484371      -8.86252117       7.18353176    
 H   -4.34658098      -9.32588005       7.08684587    
 H   -3.44803691      -8.56805706       8.10354233    
 O  -0.141805664      -6.45368338       7.48495817    
 H   0.810080409      -6.48689985       7.45157719    
 H  -0.458536208      -7.08835602       6.82002115    
 O   -4.12919235      -6.22308159       6.62846279    
 H   -3.74213982      -5.85436440       5.82442808    
 H   -3.92681551      -7.16780376       6.65898466    
 O   -6.03961515      -10.0026131       7.18236256    
 H   -6.69585943      -9.31702423       7.37077856    
 H   -6.25095081      -10.3328886       6.30096388    
 O   -6.90812778      -6.10679579       4.59469271    
 H   -6.49679232      -5.36512661       4.13145924    
 H   -6.89478540      -5.87243891       5.52982664    
 O   -2.99537277      -5.13773632       4.32436609    
 H   -3.77660966      -4.76615000       3.89475298    
 H   -2.74678469      -5.94018316       3.84789968    
 O   -5.48213768      -9.94281197       9.97103977    
 H   -5.59360743      -10.1661882       9.03671074    
 H   -4.68232250      -9.40821552       10.0277481    
 O   -7.98312902      -8.03750038       7.76826572    
 H   -8.06917572      -8.19136810       8.71701336    
 H   -7.58606529      -7.16224813       7.65907001    
 O   -2.35434866      -3.28322840       6.37781668    
 H   -2.33187413      -3.90470958       5.63659620    
 H   -2.15742922      -3.80218768       7.16257334    
 O   -7.70377541      -8.50150585       10.5565062    
 H   -8.22801304      -8.86737347       11.2633495    
 H   -6.94026899      -9.09448910       10.4311686    
 O   -2.35147452      -5.33250284       8.58302116    
 H   -3.00249958      -5.60736370       7.91928482    
 H   -1.49431229      -5.67530346       8.28458881    
 O   -6.61181402      -5.61504889       7.44053030    
 H   -5.70218229      -5.81442022       7.15620565    
 H   -6.65366983      -4.67447567       7.65698051    
 O   -2.54811883      -7.66427088       3.23461080    
 H   -2.34982586      -8.03459454       2.37907887    
 H   -3.46204162      -7.92538881       3.45225859    
 O   -3.54708409      -7.74661636       9.74737835    
 H   -2.91867352      -7.03803921       9.57018566    
 H   -4.38283348      -7.29496479       9.93516350    
 O   -8.56814384      -8.38103485       5.01329851    
 H   -8.14963818      -7.56625462       4.70537949    
 H   -8.58832073      -8.31200027       5.97707891    
 O   -5.45338726      -3.94642830       3.54351044    
 H   -5.33105707      -3.39670515       4.34112215    
 H   -5.61760187      -3.34899569       2.81903553    
 O   -4.42453194      -3.96002460       9.91996193    
 H   -4.90067291      -4.72380495       10.2702827    
 H   -3.59947777      -4.30823851       9.55662918    
 O   -4.97567272      -2.57401609       5.79561567    
 H   -5.47254705      -2.59674096       6.61967754    
 H   -4.04593229      -2.70220399       6.03723288    
          69
 Energy    -247.98664346496037     
  O     17.95719178     10.39364340    -14.49463162
  H     17.20960149     10.98672390    -14.63739975
  H     15.99708348     12.58470109    -11.64374996
  O     15.15770422      6.73936350    -10.62194262
  H     17.97599059     10.19798366    -13.55002564
  H     14.59406493      9.81391119    -10.88824344
  O     11.95160175      8.41360406    -13.39633724
  H     14.19040563      6.71804849    -10.60887405
  H     15.04268644      8.39725586    -11.30911278
  O     12.81314976     12.54770522    -10.96171794
  H     15.42458134      6.30127920    -11.44290170
  H     18.13091374      8.90567634    -15.35425213
  O     13.52360605      5.92582560    -16.74264874
  H     12.72849473      8.83638270    -13.78894873
  H     18.87240039      8.00354426    -16.37148679
  O     15.60851302      5.69413563    -13.16117112
  H     11.69540215      7.69060570    -13.98200110
  H     12.42338160      5.17031952    -13.61736618
  O     14.32855199      9.57352994    -14.23189692
  H     12.27720394     13.32576799    -10.83096747
  H     12.68874342      5.39368687    -12.12499465
  O     16.30579593     10.58700649     -8.08163070
  H     12.21692948     11.84816148    -11.28466745
  H     17.39618938      6.39290610    -13.00834852
  O     13.82196956     10.53950455     -9.31198973
  H     13.93620623      5.21065318    -17.22051267
  H     18.27923433      7.20676120    -13.97223494
  O     17.09287890      8.25162201     -9.20666213
  H     14.24849914      6.43733777    -16.34693714
  H     11.13604726      9.94287892    -10.79412976
  O     11.60809344      8.93490440     -9.18881664
  H     15.55384164      6.25358999    -13.94723131
  H     11.35726806      9.81125161    -12.31018610
  O     15.32581930     12.83986207    -12.29306944
  H     14.74629194      5.25804474    -13.09102247
  H     12.30096504      7.46088163    -11.83234717
  O     14.99773272      9.31677258    -11.60743965
  H     14.57872236      9.50888507    -13.29601348
  H     12.05414540      7.50077809    -10.30992709
  O     18.16542496      8.00766646    -15.73259868
  H     14.67284543     10.41632722    -14.54967508
  H     12.14727822      6.06432568    -15.67149721
  O     12.97197111      4.86792265    -12.88413726
  H     16.59235620      9.71283121     -8.40406723
  H     10.64464753      5.82992907    -15.38921185
  O     18.14989692      6.99528685    -13.03947978
  H     16.69043087     10.70195286     -7.21711638
  H     16.96982244     11.56770138     -9.62050459
  O     11.20009918     10.45639849    -11.60813432
  H     14.64198513     10.66088053     -8.81609798
  H     17.64140380     11.12325248    -10.92647646
  O     12.41160963      6.95054631    -11.01657515
  H     13.57296898     11.37259976     -9.73433964
  H     15.07358327      8.16535666    -15.06092660
  O     11.45388879      6.14347002    -14.99368244
  H     17.57420483      8.55084928     -9.98658059
  H     16.38548270      7.55910958    -15.64588149
  O     17.22131029     11.87921828    -10.49725076
  H     16.44960585      7.60920051     -9.53557545
  H     15.52306695     12.71961551    -15.41183146
  O     15.46248830      7.36429732    -15.44102833
  H     12.42163633      9.46664639     -9.14220853
  H     15.52294670     12.34753340    -13.90814301
  O     15.62280949     11.98786122    -14.80972772
  H     11.21477866      8.95397189     -8.32033968
  H     17.99667125      8.54734323    -12.19045005
  O     17.77512459      9.40701675    -11.79815378
  H     14.46938302     12.77432581    -11.85704895
  H     16.80723516      9.45353336    -11.75213113
          69
 Energy    -247.98652661837943     
  O     19.65334910      9.23778032    -15.18442398
  H     19.95710659      8.32220938    -15.09139041
  H     17.85798942      3.24218395    -12.85890255
  O     20.82035832      7.21416567    -11.92253751
  H     18.81802356      9.17379557    -15.65974341
  H     16.18394774      9.60816882    -13.71046315
  O     16.06314141      8.90369354    -10.01268581
  H     20.63908616      8.15991853    -11.96236679
  H     16.03254304      9.26596178    -15.21693209
  O     13.53986511     11.02820172    -13.22786063
  H     20.78158345      6.91837799    -12.84313031
  H     17.49177561      7.73055934    -12.92982707
  O     17.16911503      8.60794327    -16.53745277
  H     15.57704056      8.12581812    -10.32507584
  H     17.96130505      6.39607735    -12.30392792
  O     11.84154991      8.74734909    -12.87027967
  H     15.41461732      9.62223905    -10.00975954
  H     14.50139024      6.46072594    -14.02055225
  O     18.80207955      5.72393115    -10.81974085
  H     14.23573020     10.56755514    -13.72428879
  H     14.56734135      8.01316525    -13.98800225
  O     14.43946644      6.85303957    -10.94290193
  H     13.42788353     11.87954196    -13.64425104
  H     17.29518424      7.94588048     -9.09854179
  O     16.08873830      4.60016064    -10.62361438
  H     17.25007544      7.63804149    -16.53359967
  H     17.82248609      7.29654709     -7.80770992
  O     16.00923978      2.90540812    -12.70554916
  H     17.08219532      8.86280695    -17.45318823
  H     19.86724257      3.32646792    -15.91168971
  O     20.05519856      6.59200610    -14.52954364
  H     12.24575939      9.60792477    -13.03740977
  H     19.20007812      3.86799686    -14.62755731
  O     18.76143336      3.57669949    -12.93532121
  H     12.45768442      8.10490369    -13.25093417
  H     13.81067668     10.80460569    -11.30630660
  O     15.53942324      9.53564887    -14.43252958
  H     18.53738153      6.21966445    -10.02940690
  H     13.24522484      9.88469273    -10.21038090
  O     17.61534403      6.79170426    -13.11532419
  H     19.60137573      6.17018096    -11.14363344
  H     20.62737584     10.71968597    -12.51369883
  O     14.05417686      7.25097532    -13.68848615
  H     14.34969960      6.96082117    -11.90043885
  H     19.95662237      9.78515480    -13.54985686
  O     17.91823881      7.28575770     -8.75673714
  H     13.63242632      7.21522047    -10.55521146
  H     16.41554370      5.72879124    -13.90188852
  O     19.42694029      4.08994463    -15.54826552
  H     15.49709188      5.36463112    -10.65764070
  H     15.73431437      4.33404988    -13.89490899
  O     13.91291393     10.56205784    -10.37819103
  H     16.98342341      4.94296532    -10.52985008
  H     18.07292180      5.29505470    -16.34992806
  O     20.05535276      9.96132312    -12.59591813
  H     15.54933201      2.09392292    -12.51109126
  H     16.63809005      5.56941523    -15.90136489
  O     15.73597906      5.18860846    -14.34014450
  H     15.96056020      3.45938545    -11.90398975
  H     11.29795409      8.15617946     -9.75526579
  O     17.32152701      5.87491269    -16.51455936
  H     19.17736179      6.67228281    -14.12427357
  H     11.90510295      8.43866250    -11.15136942
  O     12.12269187      8.29604289    -10.21205883
  H     20.05348578      5.74149871    -14.98173309
  H     18.25976064      9.72796183    -12.33543830
  O     17.33131374      9.46987002    -12.39252752
  H     18.90560046      4.13562446    -12.16560532
  H     16.97771920      9.35531929    -11.50017293
          69
 Energy    -247.98635443278246     
  O     13.61826098      6.18543730    -11.04789872
  H     14.00945770      5.61096988    -11.71598256
  H     14.01492494      6.72030119    -15.02863189
  O     17.45755867     10.63289250    -13.00112573
  H     14.26027247      6.25525232    -10.32992830
  H     17.43415003      6.75795824    -16.45128608
  O     16.97489084      9.73715474    -15.59539829
  H     17.44660700     10.46203924    -13.95290348
  H     16.21373990      6.59186141    -15.51838112
  O     15.86185726     12.85676615    -12.35519820
  H     16.97336559     11.45394274    -12.84125992
  H     16.22744005      7.73066919    -12.57487917
  O     15.56821038      6.52418764     -9.01543577
  H     17.06619791      8.77786841    -15.50740789
  H     16.29434381      9.27883016    -12.73354909
  O     14.18529428     10.13128820    -15.85298021
  H     16.02745842      9.92084417    -15.66309041
  H     15.35736784      8.39000957     -9.38101912
  O     13.67616165     12.05366272    -14.00615954
  H     16.15157573     13.73056157    -12.10689797
  H     15.39260628      8.95900066    -10.80811695
  O     14.71829354      6.61248699    -18.08456162
  H     15.36489105     12.49824748    -11.59708128
  H     14.75003118      3.64154426    -13.21518777
  O     11.79810649      8.02422196    -11.82919486
  H     15.67389279      6.12013747     -8.15879436
  H     14.66024125      4.97544235    -13.99276006
  O     17.18186433      6.15915769    -12.87344509
  H     16.45462299      6.55653248     -9.42074282
  H     18.19930562      7.69731330    -10.29381150
  O     13.48318730      8.13669092    -14.08642169
  H     13.85795249      9.39081216    -15.32395039
  H     17.86313506      6.46451469    -11.16312411
  O     14.45610239      5.96499684    -15.44507377
  H     14.01194558     10.92350056    -15.32314626
  H     17.52150668      7.71384781    -18.43648286
  O     17.12859264      6.90590473    -15.54768255
  H     13.11048018     11.64320333    -13.34138117
  H     18.25511819      6.44367309    -18.93192325
  O     15.69586678      8.53710168    -12.56776748
  H     14.43029077     12.41604466    -13.52489042
  H     18.14790169      9.95094608    -11.31228639
  O     15.36918474      9.21731204     -9.87405122
  H     14.48988408      7.52873932    -18.28521728
  H     17.29153143      9.58952986    -10.09201959
  O     14.84175993      4.58644854    -13.11973128
  H     15.66006245      6.53135306    -18.27955952
  H     13.66516518      9.90852878    -19.00950886
  O     17.95723410      6.76070913    -10.24879591
  H     10.95488750      7.59222256    -11.71814527
  H     14.20027243      9.73426479    -17.56966497
  O     17.59242735      6.74919830    -18.31903436
  H     12.46779233      7.40260036    -11.48938701
  H     14.72183858     10.89591182    -10.07370866
  O     18.19098615      9.54060553    -10.43981453
  H     17.38512862      6.37864873    -13.79302827
  H     13.51885618     11.47199761    -10.83581984
  O     14.29830971      9.42370291    -18.48640330
  H     16.46575885      5.51133006    -12.89321029
  H     17.26554646      9.69820410    -17.49267061
  O     14.35345348     11.72096037    -10.42151143
  H     14.27307590      8.30532898    -13.54459447
  H     16.21197298      9.51155781    -18.59395556
  O     17.15710999      9.42697242    -18.41402111
  H     12.74837033      8.07509915    -13.46853312
  H     12.00723984      9.86678662    -11.82774384
  O     12.07324617     10.83039481    -11.90124606
  H     14.42580932      6.09518512    -16.40438741
  H     11.19604050     11.17430905    -11.74319935
          69
 Energy    -247.98632799347203     
  O     12.16009512      8.15795079    -16.75119011
  H     11.27496785      8.03025651    -16.38584237
  H     13.91041941     11.51746663    -15.11346767
  O     11.35388382      9.49010894    -10.45262347
  H     12.18082444      9.06803877    -17.07072372
  H     16.54467166      8.16255514    -12.00792860
  O     13.46621676      7.85034660    -14.35711510
  H     12.17974236      9.38994773     -9.96208651
  H     17.37632697      9.37130913    -12.49791770
  O     14.75658471     14.29124808     -9.21841541
  H     11.26096975     10.43830675    -10.59997694
  H     15.33046784      5.94864414    -12.50854788
  O     12.05094268     10.95539586    -17.47686109
  H     12.73467446      8.19535697    -13.82537366
  H     14.73839043      7.13291178    -13.28350140
  O     11.24129666      9.00270173    -13.14912350
  H     13.14086582      7.82966971    -15.26882074
  H     13.90924693     14.62932121    -10.91113263
  O     13.99080662      9.84980161     -9.45105562
  H     14.09115975     13.63125507     -8.95047987
  H     12.73142259     13.94582948    -11.62868718
  O     14.21211984     11.17987822    -11.87891872
  H     14.83738134     14.91199073     -8.49973311
  H     18.38792918     10.36258688    -14.65126083
  O     12.90475181     12.38261446     -8.75895194
  H     12.26015223     11.33626834    -18.32651358
  H     17.47914792     11.32916130    -13.84929855
  O     17.02949104     12.91380227    -13.32158794
  H     12.53204080     11.47649697    -16.81375027
  H     11.81050928     11.95833148    -14.40144385
  O     11.75757455     12.28409422    -11.36058435
  H     11.24491927      9.00911411    -12.18202795
  H     10.34578056     11.50222624    -14.62389813
  O     13.34786248     12.25424129    -15.40153612
  H     11.20409636      9.92682906    -13.43221176
  H     16.59831971     11.74571505    -10.10571998
  O     17.11074385      8.88806810    -11.70804757
  H     14.91321019      9.77227443     -9.18464820
  H     15.92248616     13.15690104    -10.09474383
  O     15.44611597      6.88186970    -12.67058916
  H     14.03273367     10.17247647    -10.36521009
  H     15.82109069     10.15332343    -14.41037131
  O     13.43705861     14.59193852    -11.75132164
  H     14.45831035     10.81588969    -12.73675988
  H     14.47245286      9.34012137    -14.45139181
  O     17.61783844     10.39481324    -14.09076487
  H     14.96189216     11.69346403    -11.55114434
  H     10.28812260     10.86886897    -16.68770884
  O     11.00286832     11.69607855    -13.94019438
  H     13.27342403     11.49026526     -8.80955205
  H      9.43111576      9.86805469    -15.89151577
  O     16.37364947     12.51021858    -10.65247689
  H     12.30453708     12.45555696     -9.51174124
  H     17.51614727      9.75502646     -8.73236151
  O     14.85906125     10.22520294    -14.42395675
  H     16.27837755     13.41680379    -13.65566829
  H     16.95844994      9.60085388    -10.16845179
  O      9.53492818     10.80815214    -16.08592753
  H     16.92082201     12.86876591    -12.36069143
  H     14.24079774     14.48742781    -13.29503278
  O     16.83331486     10.06682771     -9.31930364
  H     12.63347320     11.89538725    -11.53229597
  H     14.81146251     15.27975211    -14.49133971
  O     14.68873194     14.39539182    -14.15452802
  H     11.27524767     12.19747927    -12.19403883
  H     10.18463404      8.31084716    -14.43875994
  O      9.71062834      8.07144554    -15.25297114
  H     13.76582749     13.05733102    -15.06962698
  H      9.07574879      7.40134969    -15.01313107
          69
 Energy    -247.98619462631584     
  O     -1.23201122     -0.09722793     -1.84710293
  H     -1.11256544      0.44047660     -1.04664560
  H     -1.82054937     -4.61398596     -0.26306691
  O      0.20599630      1.92155828      2.96543051
  H     -0.61163451      0.23075035     -2.49352883
  H     -2.66529804      0.05500865      7.03554350
  O     -4.36839641     -3.69732964      3.15044209
  H     -0.62125449      1.81820682      3.46270776
  H     -2.42101463      0.28817690      5.52955036
  O     -1.73471684     -4.65748482      2.89594438
  H      0.67433223      2.65219951      3.36235277
  H     -2.37267037      0.68765953      3.45247821
  O     -4.36793129     -2.61922766     -0.64114500
  H     -4.17319904     -3.50219970      4.07895759
  H     -2.96526949      2.05207870      3.88822899
  O     -5.29068347      2.09829475     -0.90790385
  H     -4.66572240     -2.86697732      2.74985541
  H      0.91108866      0.09558150      3.16409964
  O      0.04189169     -1.70724915      5.65081995
  H     -2.63092260     -4.30784304      3.00432822
  H      0.80498290     -1.11019424      4.13321920
  O     -4.87191101     -5.03170888      0.77610568
  H     -1.70901783     -5.06376384      2.01782962
  H     -0.50052391      1.60659372      1.17804683
  O     -3.19981188      3.27855964      0.58354675
  H     -3.39977368     -2.66792759     -0.67199460
  H     -1.71416628      0.68589981      0.99729801
  O     -0.59278027     -2.37542974      1.76985631
  H     -4.66889220     -3.47689816     -0.31884552
  H     -5.41229679      1.79344334      2.28641761
  O     -1.59057243     -2.71363063     -0.75208081
  H     -5.88905034      2.44282105     -1.56521344
  H     -5.77945436      1.50756090      0.81951299
  O     -2.05403677     -5.39144807      0.25913449
  H     -4.88271470      1.30127685     -1.29155890
  H     -1.85718763     -1.16455787      2.07088616
  O     -2.45275508     -0.39288564      6.21982537
  H     -0.18265770     -2.64586098      5.64007799
  H     -3.38166518     -0.78650351      2.01669379
  O     -2.29477424      1.39497745      4.11528884
  H     -0.76390257     -1.24864767      5.91540993
  H     -5.45361808     -0.54040559      1.76822065
  O      1.08216574     -0.84805124      3.24100219
  H     -5.58283796     -5.66475998      0.83842756
  H     -4.91489228     -1.71943358      0.87096093
  O     -1.14388252      1.31265624      0.52312143
  H     -4.75778433     -4.65438947      1.66459344
  H     -3.13596606     -0.08841478     -1.97862356
  O     -5.88936458      1.17672136      1.72061599
  H     -2.44704904      2.68473507      0.47250357
  H     -4.31996403     -0.99272052     -1.57198505
  O     -2.49085861     -0.43727599      2.13850617
  H     -3.89051380      2.95389277     -0.00947932
  H     -3.82312206      3.26490913      2.20371947
  O     -5.03539362     -1.41374349      1.78039012
  H      0.10215497     -1.90370136      2.25373734
  H     -4.60313411      3.97367944      3.33750573
  O     -4.09619868     -0.10850731     -1.88928693
  H     -0.84897671     -3.16331883      2.26411276
  H     -2.60921056     -3.54612199      5.75108218
  O     -4.20949166      3.14113284      3.09020881
  H     -1.38070988     -1.91929241     -1.25549828
  H     -3.19354571     -2.12589599      5.82242485
  O     -3.42526366     -3.04354455      5.63642940
  H     -1.16456023     -2.59828011      0.11216703
  H     -1.11041329     -4.59085907      4.56001241
  O     -0.90142791     -4.40783817      5.49175549
  H     -3.01841362     -5.39703347      0.30832593
  H     -0.55377651     -5.21713228      5.85763256
          69
 Energy    -247.98609605151734     
  O      0.00934325     -2.96614622      2.19287475
  H      0.61653859     -2.38785783      2.64539506
  H     -0.29382186     -7.96228127      1.68116200
  O     -0.48270448     -6.60524146     -5.56647902
  H      0.53670043     -3.70903037      1.84374504
  H     -5.10955720     -6.63649029     -0.93195398
  O      0.84722365     -8.07437145     -1.10599610
  H     -0.39393764     -6.29613740     -6.46394869
  H     -5.65117938     -6.96833813      0.47701232
  O     -6.04472095     -6.05952057      2.06184456
  H      0.39071390     -6.49987450     -5.14790483
  H      2.10817882     -7.46162698     -4.07183698
  O     -0.65267913     -9.23694140     -4.41261676
  H     -0.08246412     -8.10968438     -1.37729607
  H      2.04778108     -6.03465199     -3.49888149
  O     -3.64573183     -9.42897650     -0.41232519
  H      0.87043817     -8.06592547     -0.14230577
  H     -2.55410182     -8.70377296      0.92107486
  O     -2.24362411     -5.62036930      0.23198503
  H     -6.89971776     -5.98178577      2.47710632
  H     -2.59336688     -7.79196153      2.19574476
  O     -2.14083496     -5.86717739     -3.41761696
  H     -5.71708997     -5.15243905      1.92664217
  H     -4.23906076     -1.70708830     -1.21759706
  O     -4.94000281     -3.60003301      1.73736623
  H      0.26806047     -9.37848813     -4.15774409
  H     -3.12647855     -2.59445392     -0.61188621
  O      2.00294466     -9.21985819     -3.31146834
  H     -0.65530927     -8.42903229     -4.94235499
  H     -2.40016850     -4.82446996      1.87892983
  O     -3.59610250     -6.86617990      3.31207703
  H     -4.31714136     -8.72099718     -0.40203400
  H     -1.61302217     -3.83824600      2.75609174
  O      0.66664563     -7.80653267      1.67893304
  H     -4.11465080    -10.25699151     -0.46152409
  H      1.43254239     -6.33545982     -1.50060377
  O     -5.35498689     -7.36856899     -0.34972948
  H     -2.12804588     -6.52503372      0.54278282
  H      1.09563850     -4.88551064     -1.98046862
  O      1.93211209     -6.54305312     -4.31069572
  H     -2.99633085     -5.61495528     -0.37305798
  H     -0.62126712     -3.43345396     -1.84703293
  O     -2.01967705     -8.14452374      1.49649173
  H     -2.00615388     -6.66305021     -2.88104751
  H     -0.93987072     -4.53617094     -2.88155743
  O     -4.07797996     -2.55365981     -0.80873076
  H     -1.69160699     -6.03688468     -4.25504120
  H      1.13158950     -5.95584523      1.38520295
  O     -2.41865611     -4.36613644      2.73389671
  H     -4.09070487     -3.69706469      2.18997692
  H      1.61943092     -5.08571072      0.20753237
  O      1.80704962     -5.45566761     -1.64489956
  H     -4.74767286     -3.18062779      0.89152469
  H     -1.59299090     -3.97781435     -0.13738280
  O     -0.25240636     -3.92169838     -2.59342492
  H      1.67177120     -8.87646749     -2.46340620
  H     -0.93081326     -2.77676238      0.56047468
  O      1.35523415     -5.05218908      1.13621100
  H      2.70403888     -9.83262904     -3.10633554
  H     -1.46881872     -8.74403989     -2.90169792
  O     -1.44249967     -3.02151874     -0.21903272
  H     -4.48066323     -6.69200710      2.96674481
  H     -2.39679019     -8.76388455     -1.62428906
  O     -1.71576722     -8.26856468     -2.09201797
  H     -3.16855130     -6.00121536      3.37301988
  H     -4.29707338     -4.28893085     -1.54666709
  O     -4.24009858     -5.23369952     -1.73309381
  H      1.02350425     -8.27808701      2.42732144
  H     -3.60425141     -5.36086309     -2.45241303
          69
 Energy    -247.98574413697196     
  O     12.01785658      6.14836617    -12.13889624
  H     12.67592096      5.55939447    -12.52473339
  H     18.43893204      6.14442467    -14.00748228
  O     17.12554881     10.17348671    -15.09052446
  H     12.43576258      6.53822805    -11.35722130
  H     14.17866757      8.10667892    -11.80056556
  O     17.20372574      8.78149729    -12.69275570
  H     16.33560840      9.86612669    -15.55550159
  H     15.40251893      8.62891673    -12.62083647
  O     16.24186813     12.62672817    -14.07500473
  H     16.93589265     11.07393173    -14.79724573
  H     14.65884319      9.97469794     -9.55031826
  O     13.50839251      7.44980463    -10.19097718
  H     17.27020841      9.30730627    -13.50092619
  H     13.36405523     10.77283577     -9.81426857
  O     14.80247388      9.34521470    -16.50067679
  H     17.42669073      7.87137993    -12.93143611
  H     14.61624687      4.78859010    -13.98135425
  O     13.85717549     11.63306311    -15.33718575
  H     16.10074384     12.42035350    -13.13363294
  H     14.00309869      3.52012689    -13.36335309
  O     10.88712782      8.03415384    -13.73312333
  H     16.62041990     13.50104434    -14.11078537
  H     13.25915965      9.81821158    -12.93622857
  O     16.22280462      5.23623382    -11.33500836
  H     14.31448231      7.11701446     -9.77839978
  H     11.78577109      9.71987641    -13.35618167
  O     13.38932463      7.54964303    -14.94316573
  H     13.38277756      8.34250458     -9.83322423
  H     16.21172909      6.25804839     -9.94778045
  O     15.41802717      5.77241531    -15.35612275
  H     14.25174574      8.71425542    -16.01557987
  H     16.39006194      6.43086214     -8.42021312
  O     17.58876293      6.16939179    -13.54457481
  H     14.44999661     10.21914117    -16.27603840
  H     20.82775805      6.41605674    -15.04018593
  O     14.44650982      8.50384765    -12.63855707
  H     14.60236319     12.07680407    -14.91339264
  H     19.54723373      7.07394324    -15.58726084
  O     13.71793557     10.01694537     -9.33216502
  H     13.30880975     11.28359545    -14.62356005
  H     16.40932384      8.72470591     -9.68665181
  O     14.14806538      4.45091933    -13.20289891
  H      9.96474955      7.83999738    -13.87416544
  H     16.85253144      9.36232056    -11.00238886
  O     12.48063418     10.35598826    -13.15195787
  H     11.22525405      7.35363434    -13.12163443
  H     16.09112688      7.19250309    -18.58011526
  O     16.09499891      6.88096223     -9.20720782
  H     15.44652922      4.91423696    -11.80477652
  H     15.73765572      8.07198041    -17.36108007
  O     19.87678529      6.36062875    -15.01362345
  H     16.84081203      5.50629874    -12.02942557
  H     16.04587282     11.28117706    -10.96100706
  O     16.45842967      9.57440683    -10.14267236
  H     12.44394983      7.63841263    -14.78672430
  H     14.79422635     12.12962265    -11.28968329
  O     16.24991816      7.29555848    -17.64469231
  H     13.81177091      7.83012644    -14.11313188
  H     17.95934514      7.91509951    -17.00501519
  O     15.73078524     12.01847039    -11.49610598
  H     15.80980174      6.06783747    -16.18599874
  H     18.32074360      9.04730782    -16.03196105
  O     18.69863953      8.30827176    -16.52615911
  H     14.63965198      6.33995460    -15.23598704
  H     12.65286361     11.54342959    -11.83507265
  O     12.91278767     12.11242253    -11.09117965
  H     16.89393332      6.03326562    -14.20051693
  H     12.27546127     12.82022773    -11.04649420
          69
 Energy    -247.98567020956466     
  O     -2.96026518      0.32015451      3.40046221
  H     -3.01140130      1.28537138      3.37652880
  H     -4.62354205      1.46691760     -1.61293650
  O     -0.85037100     -0.37127980      1.75030076
  H     -2.17176183      0.06144675      2.90510440
  H     -8.13988828      4.42215660      1.04769174
  O     -5.12393356     -1.69125076     -1.90396806
  H     -1.09143185     -0.12274381      0.84528942
  H     -7.39023229      3.24781155      0.38288591
  O     -2.34962093     -2.31540949     -1.60155392
  H     -0.17142787      0.25451192      2.02817255
  H     -1.15962782      3.23174632      0.18151171
  O     -4.82205009      0.44163918      1.35712652
  H     -4.18347821     -1.90422764     -1.88281930
  H     -0.61790317      1.91785590     -0.42026094
  O     -5.96501971      2.51891623      2.85835413
  H     -5.46748548     -1.91598102     -1.02859097
  H     -3.54170080      4.54819341      0.33997539
  O     -8.32038690     -0.61876955      1.17826248
  H     -2.32031197     -2.55366218     -0.65654188
  H     -3.29974861      3.09623320     -0.13483296
  O     -3.23677738      3.10481009      3.08895752
  H     -1.89093534     -3.00643734     -2.07212165
  H     -5.17947807      6.53333157      0.55688560
  O     -6.08396692      0.74803475     -2.54329767
  H     -4.13461424      0.25466868      2.00991458
  H     -5.79884610      5.12981088      0.45677104
  O     -5.97260321     -1.96894212      0.75231001
  H     -5.38573878      1.11197269      1.76529156
  H     -5.76657639     -0.91868622      4.20327417
  O     -4.49924263     -3.45191624      2.62177240
  H     -5.06928305      2.83301334      3.04711685
  H     -4.22120837     -0.80690548      4.17718272
  O     -3.95665709      1.62572653     -0.93677402
  H     -6.38510626      3.15483329      2.26842954
  H     -0.15253238      2.72528635      3.64058886
  O     -7.26603970      4.08311186      0.86957475
  H     -7.56408103     -1.20567483      1.00961383
  H     -0.49364511      2.86351090      5.13143428
  O     -0.35651893      2.70322703      0.07726133
  H     -9.10506045     -1.15727636      1.10855798
  H      0.45408157      2.22586426      1.51732420
  O     -2.92277727      3.80799139      0.40277909
  H     -3.09220148      3.36033522      2.16674987
  H      1.78759822      1.90922753      2.23516068
  O     -4.98699244      5.63464729      0.29995898
  H     -2.41147084      3.27788963      3.56241208
  H     -6.85148501      1.04189258      3.61053069
  O     -4.95022372     -1.42691052      4.31213718
  H     -6.30324068      0.79279305     -3.46976673
  H     -7.67690201     -0.08611669      2.97007432
  O     -0.73874835      3.17895571      4.26400605
  H     -5.76334224     -0.15652713     -2.37193399
  H     -1.69363495     -2.08722094      1.47189141
  O      0.84059945      1.85270486      2.33190433
  H     -5.55573746     -2.61329236      1.33644796
  H     -2.93711279     -3.00988095      1.64400466
  O     -7.20270662      0.15568425      3.77299564
  H     -5.55024977     -1.11603224      0.94890153
  H     -2.37381479      0.77567186     -0.98105561
  O     -2.20821161     -2.78769089      1.05267663
  H     -4.66832875     -2.75812147      3.28672975
  H     -1.69532554     -0.57798921     -1.26374769
  O     -1.53430383      0.29971473     -0.89759857
  H     -4.59180474     -4.28882581      3.06804800
  H     -7.91249440      0.92602550      0.16428453
  O     -7.62385977      1.69926682     -0.33561350
  H     -4.27512446      1.18413288     -0.13296555
  H     -7.15307113      1.37168932     -1.11123362
          69
 Energy    -247.98561923596975     
  O      0.57609818     -7.37617973     -5.04714266
  H      1.14312920     -7.83290598     -4.41208080
  H      3.01881209     -8.80901786     -2.66575876
  O      2.29961064     -5.67263131     -6.28766054
  H     -0.00719252     -6.81219640     -4.52273971
  H      3.78569624     -4.06142521      3.96512818
  O      3.76760038     -6.79099124      2.18938171
  H      2.31213279     -5.75014874     -7.23768719
  H      3.67734935     -5.12431863      2.84751157
  O      2.57772372     -5.11586210     -0.79319608
  H      1.65355849     -6.32291260     -5.95880056
  H      1.65207865     -4.25050541     -5.15836662
  O      1.27441647     -7.97455827      1.16334599
  H      2.91225157     -7.08753175      1.85651234
  H      2.19565058     -3.62710498     -3.85818070
  O      1.44221193     -3.67416922      1.28192428
  H      4.31489885     -6.58692121      1.41315514
  H      4.09919358     -9.75730920     -0.87249817
  O      4.67257113     -1.66166035     -1.17834404
  H      1.90194652     -5.75441900     -1.04149952
  H      4.56334499    -10.75207620     -1.96112446
  O      3.67678595     -3.68571806     -2.83155368
  H      2.21591051     -4.57683253     -0.07638903
  H      2.73157507     -9.17780446      0.90672060
  O     -0.55163021     -5.43260640     -3.28135034
  H      0.98136776     -7.69716258      0.28274416
  H      4.14210085     -8.88526631      1.38306803
  O      4.08319183     -6.12735403     -4.10936406
  H      0.49796546     -7.97023815      1.71982958
  H      1.23238593     -7.51685983     -1.88728134
  O      1.91712201     -1.55975361     -0.30748993
  H      2.10599533     -3.74417422      1.97656948
  H      0.09164490     -6.48008551     -1.99453826
  O      2.43951288     -8.12138972     -3.01573191
  H      1.58195258     -2.83747008      0.80532231
  H      4.78329827     -3.49523041      1.62431225
  O      3.60118955     -4.17356225      3.03606031
  H      4.94259956     -2.23931316     -0.44170649
  H      5.44069518     -4.28227933      0.48201348
  O      1.38721320     -3.75004050     -4.37813331
  H      5.29328018     -0.93862272     -1.20208827
  H     -2.89597927     -3.38968066     -1.45736205
  O      4.28600915     -9.85013779     -1.82235683
  H      3.24133962     -4.14995800     -2.09886416
  H     -1.64903659     -4.08298821     -0.85810974
  O      3.64609773     -9.47495059      0.80935926
  H      4.10913729     -2.92163165     -2.43397365
  H      5.43606111     -8.33255316     -2.20193438
  O      0.59267134     -7.01295219     -1.35891529
  H      0.12754043     -4.84300526     -3.64232493
  H      5.40580354     -7.04267879     -3.04950957
  O      5.30624072     -3.38707540      0.82253729
  H     -1.19874193     -4.86500235     -2.84509280
  H      0.53605219     -2.42658669     -3.23377410
  O     -2.00604306     -3.66467495     -1.66075584
  H      4.08224012     -5.26046816     -3.67856110
  H     -0.59693078     -2.44447278     -2.19257472
  O      5.85762785     -7.47184829     -2.31158167
  H      3.63110512     -6.00451214     -4.95278118
  H     -0.08340174     -4.52150983      0.80245979
  O      0.19701862     -1.96548014     -2.45791863
  H      2.81685373     -1.47374225     -0.63964009
  H     -0.40151384     -5.76897713     -0.04654150
  O     -0.80902353     -5.01746664      0.39209926
  H      1.33374258     -1.61587399     -1.07900483
  H      4.21485969     -5.72985959     -0.39267518
  O      5.08721764     -6.02875611     -0.09332747
  H      3.01282802     -7.41625153     -3.35043516
  H      5.48071346     -6.52200585     -0.82492254
          69
 Energy    -247.98558383664545     
  O     14.90593150     12.04865550    -12.04955127
  H     15.65795160     11.75724296    -11.52190727
  H     19.18633304      4.62844917    -13.53661691
  O     14.60917836      6.60987942    -14.77421087
  H     15.15045281     11.87016775    -12.96922289
  H     18.83113134      9.34717490    -13.15503595
  O     16.13171106      5.76417579    -10.83466963
  H     15.03210475      7.35477951    -14.31549616
  H     18.70371071     10.75396169    -13.72623043
  O     13.72439203     10.45828869    -16.45962793
  H     14.98281381      5.81481949    -14.37074486
  H     15.77075445      8.59220260    -12.48369999
  O     11.99847107      6.27012857     -9.89506452
  H     16.03229071      6.71585442    -10.70472158
  H     15.76716170      9.51809054    -13.75169601
  O     12.28367134      7.35062293    -13.48728024
  H     15.48273041      5.34385205    -10.25643407
  H     13.24247164     11.61579699    -11.90173715
  O     15.64363402      8.52168939    -10.68360388
  H     13.24584273     10.91229280    -17.14773001
  H     11.79318185     12.00133578    -11.51623423
  O     18.07914065      8.73594777    -16.81434622
  H     13.08175489     10.26982130    -15.75045632
  H     13.71596116      3.77063361    -11.19270112
  O     11.19193222      5.03978875    -12.36450438
  H     12.26946431      7.15943984    -10.15731482
  H     14.28216917      3.84055498    -12.62601456
  O     18.38712369      7.73104804    -14.15038542
  H     11.57574046      5.88134658    -10.67144860
  H     12.01938012      9.03787652    -14.14805560
  O     15.44138463      8.21721884    -16.90082547
  H     13.04503627      7.03017405    -13.99200456
  H     12.08377488     10.47973221    -13.59681846
  O     18.49927781      4.91859480    -14.13368691
  H     11.80425395      6.57344379    -13.17564098
  H     15.95991490      5.04380360    -12.43564631
  O     18.79572490     10.27632692    -12.89451005
  H     14.68505908      8.66154866    -10.69849737
  H     16.72636031      4.55666877    -13.68306012
  O     15.87124844      8.61030444    -13.44373276
  H     16.09133072      9.36482572    -10.54755364
  H     13.29613346      5.15290564     -9.51121391
  O     12.32246202     11.29560260    -11.87718581
  H     18.49190184      8.28872231    -17.54834939
  H     13.92156943      4.09190829     -8.57630796
  O     13.48546106      3.63181818    -12.12007774
  H     17.12541523      8.53854970    -16.86744000
  H     18.76002896     11.83260502    -16.13679545
  O     12.06015075      9.96746781    -14.41307319
  H     10.46881888      4.45772079    -12.57993195
  H     18.24972444     10.37442375    -16.07398034
  O     15.84214708      4.61975740    -13.30228716
  H     11.99775332      4.49120292    -12.34073277
  H     12.76036512      8.19535824    -11.92706073
  O     14.01218596      4.49784153     -9.43384123
  H     17.49293470      7.95663236    -13.84946871
  H     12.62759825      9.57744843    -11.24343929
  O     18.26409270     11.22098078    -15.59805862
  H     18.41488359      7.98557577    -15.08049637
  H     17.76688925     10.68555969    -11.50420313
  O     12.91154486      8.66746213    -11.09454356
  H     15.11693820      7.53056613    -16.30175909
  H     17.73159673     11.25964405    -10.07189779
  O     17.17727471     10.90245406    -10.76118688
  H     14.81631466      8.94865641    -16.83277877
  H     16.51932874     11.30437925    -14.97283987
  O     15.64803821     11.19432208    -14.57356841
  H     18.51723252      5.88723822    -14.09831226
  H     15.01344747     11.02434100    -15.28215692
          69
 Energy    -247.98558284168672     
  O     18.11552903      9.76458344    -12.81682361
  H     17.18343055     10.03776339    -12.79117401
  H     12.32329558     10.43996272    -16.29993784
  O     11.62016817     10.78393009    -11.31790288
  H     18.45094318      9.88664904    -11.91640229
  H     16.82634495      8.41671604     -6.35508041
  O     11.68120207      8.70695136    -13.26663989
  H     11.95729211     11.40992749    -11.98561848
  H     15.91419905      7.83879891     -7.46171521
  O     17.01174776      7.24506792    -11.86184080
  H     10.89161291     11.21365995    -10.87872145
  H     13.17590010     10.10698085    -10.62231995
  O     18.77835403     10.33444226    -10.18567105
  H     11.91477741      9.22861848    -14.04386830
  H     14.08431610      8.83268971    -10.46678950
  O     19.48181769     13.04406674    -10.60317252
  H     11.55462713      9.34442461    -12.55376557
  H     18.71254385      8.50125257     -9.68532223
  O     16.26431872     10.70013501     -9.02160860
  H     17.49356208      7.20780556    -11.02089078
  H     17.80234080      7.79746357     -8.67885256
  O     12.83414483      6.30874897    -12.80296541
  H     17.39113124      7.99531864    -12.33259134
  H     15.94458936     13.26922005    -13.65188009
  O     17.41315322     10.44135897    -15.56199321
  H     19.17439932     11.21323806    -10.21075766
  H     15.75286176     13.25256831    -12.09252985
  O     15.36036445      6.55560466    -14.14726123
  H     17.89042214     10.45354192     -9.81457466
  H     14.96319885     10.14843011    -11.93923246
  O     14.99506617      9.10815748    -15.09871598
  H     20.19476137     13.64945623    -10.42074229
  H     15.38029563     11.35746089    -12.82203179
  O     12.61424232     10.37508409    -15.39405691
  H     19.47050428     12.90201841    -11.56729635
  H     18.97312113     11.47410164    -13.15611471
  O     16.61742308      8.48646763     -7.28315994
  H     15.45488941     10.43443764     -9.48209899
  H     18.63816270     12.80264748    -13.84413378
  O     14.06618598      9.79806886    -10.41364030
  H     16.38767472     10.05145220     -8.31738746
  H     17.25282936     12.18027389    -15.32079506
  O     18.32903841      7.63992624     -9.47050258
  H     12.39742952      7.15854220    -12.99352331
  H     17.28825328     13.63205069    -15.85336973
  O     15.30150045     13.13858111    -12.94432952
  H     12.18773117      5.62565583    -12.95866656
  H     15.36311657      7.13458118    -11.10789751
  O     15.45340432     10.39777066    -12.73129186
  H     17.88185547     10.05509289    -14.81355648
  H     13.87732698      6.73585330    -11.36860025
  O     19.24575894     12.39804373    -13.21400076
  H     16.58175591      9.95055645    -15.61732493
  H     17.56436512     13.23738858    -10.50171455
  O     17.20030921     13.11615864    -15.05612940
  H     14.50524889      6.36365592    -13.74222042
  H     16.40912331     12.42137363     -9.90714337
  O     14.48612928      7.07561043    -10.70074969
  H     15.99456656      6.60634240    -13.42179298
  H     12.65110409     11.78241213    -14.07009868
  O     16.60447675     13.14361283    -10.51643567
  H     15.11546934      9.56264981    -14.24880762
  H     13.49453713     12.74355542    -13.18824351
  O     12.62221931     12.33764517    -13.28122473
  H     15.12371363      8.16638884    -14.91888425
  H     14.50443669      5.73802109     -7.77693141
  O     14.73936275      6.63775896     -7.98962385
  H     13.46889530      9.91013680    -15.40575005
  H     14.60892158      6.72947970     -8.94714082
          69
 Energy    -247.98556341286661     
  O     16.95107479     11.56000471    -15.00404749
  H     16.10592003     11.99749083    -14.84948187
  H     13.13290376      8.31730796     -8.28725854
  O     15.39392369      6.75965400    -11.33923598
  H     17.23398280     11.21707463    -14.14571382
  H     14.27704565     12.18858833    -11.04108059
  O     11.69199654      8.24692111    -13.32193012
  H     15.67908339      6.51368915    -12.23060669
  H     15.71916184     12.67722809    -11.25503995
  O     13.74946924     10.66793904    -10.01142172
  H     14.43080769      6.66792929    -11.28609872
  H     14.53711113      9.84928708    -11.42310794
  O     13.44763850      5.79217708    -16.42299147
  H     12.24537436      8.89593453    -13.77333398
  H     15.13657567      8.47657900    -11.85411797
  O     16.12919791      6.27480101    -13.94199066
  H     11.41497809      7.60764337    -13.99065020
  H     17.24622157     10.19730967    -16.04731808
  O     13.66236528      9.94932587    -14.42258427
  H     13.13285874     10.00989152     -9.67176508
  H     17.88940536      9.57750456    -17.31153294
  O     16.20042740     10.37630060     -8.74343488
  H     14.55811250     10.59948777     -9.47951407
  H     12.44987705      5.30004657    -12.29052917
  O     14.60470959      3.99956199    -14.47746215
  H     14.00184549      6.58237964    -16.35471717
  H     11.83777942      5.10314402    -13.68975334
  O     14.68289486      8.29911644     -7.41539111
  H     13.89577884      5.10650867    -15.91336300
  H     18.16740336      8.43578281    -14.97191665
  O     16.80694136      7.59994416     -9.17782725
  H     15.72867937      6.89988029    -14.56374505
  H     17.72888943      7.34406087    -13.98342384
  O     12.35884639      8.43834003     -8.86347049
  H     15.73772939      5.41306174    -14.13460871
  H     12.30916404      7.38380371    -11.92503978
  O     14.82085297     12.76353046    -11.59487210
  H     13.77565441     10.90043314    -14.52494513
  H     12.47306485      7.30752398    -10.37986841
  O     15.02600585      9.39665921    -12.12264749
  H     14.15496610      9.71857059    -13.61802406
  H     10.35009879      5.94927762    -15.68777860
  O     17.41583712      9.35882278    -16.51376452
  H     16.71700203     10.99975887     -9.26937442
  H     11.89446394      6.03745075    -15.66408095
  O     12.41033665      4.68495444    -13.03352751
  H     16.51831963      9.49039337     -8.96661373
  H     18.22623139     12.67551667    -10.56796027
  O     18.34521603      8.07935289    -14.09233834
  H     13.83698541      4.18791008    -13.90741103
  H     17.63530370     11.45217707    -11.30935453
  O     12.65951482      6.83872447    -11.20031151
  H     14.71069955      3.05254131    -14.49284746
  H     14.51012823      8.71059163    -15.43478122
  O     11.09275162      6.13465083    -15.11989342
  H     15.34712613      7.77880592     -7.88634913
  H     15.83769469      8.44334491    -16.19573697
  O     17.46748650     12.09864306    -10.60082084
  H     15.05000762      9.19023863     -7.43268811
  H     14.53948544     12.74202934    -13.32827653
  O     15.04557936      8.01720124    -15.84544333
  H     16.34434706      7.24845603     -9.95735513
  H     14.01621367     13.49593747    -14.57093557
  O     14.41609369     12.67655558    -14.29181567
  H     17.64465580      7.14657755     -9.13168123
  H     18.01011948      9.49838652    -13.02006446
  O     17.59014372     10.24848265    -12.57639773
  H     11.59207836      8.45151658     -8.29559984
  H     16.67001589      9.98444666    -12.42029340
          69
 Energy    -247.98545918335026     
  O     16.55844795     10.93512773    -15.92874242
  H     17.26842932     11.46285183    -15.54753765
  H     16.80091250      6.69774998    -10.66176671
  O     16.97740322     11.44255338     -9.54141104
  H     16.66822028     10.04048480    -15.56883750
  H     20.15487624      9.26364358    -15.13476397
  O     19.48421536      7.93813664    -14.06313307
  H     17.66706951     10.86006044     -9.19787526
  H     19.86948956      9.46716107    -16.61382555
  O     14.62268025      8.23197554    -18.68014144
  H     17.15425550     11.53128646    -10.48763335
  H     16.26974603      8.17537193    -14.24233723
  O     16.47650241      7.69234099     -9.17102544
  H     18.61317358      8.14456777    -14.44158235
  H     16.60125866      7.76186253    -15.68225824
  O     15.02161597      7.61451063    -13.05286737
  H     19.46429319      6.98790825    -13.90115235
  H     14.03619779     10.72357102    -14.03594031
  O     17.40214553     11.06636218    -12.32456954
  H     15.42186748      8.78814825    -18.64286268
  H     14.77195217     11.01467495    -15.35692643
  O     18.63524352      5.31565478    -13.54513782
  H     14.35517286      8.19526874    -19.59416725
  H     13.16506254      9.51949338    -15.95901421
  O     13.34891435      6.54038165    -15.00039771
  H     15.77759648      8.35050004     -9.27072974
  H     13.39532270      8.69205866    -17.25643101
  O     18.29949228      5.82914587    -16.47000786
  H     17.25250871      8.18594440     -8.88061354
  H     18.92700008      9.14964826     -9.85225446
  O     15.62049649      6.47635442    -16.72629052
  H     14.77171902      8.51262362    -12.79377496
  H     19.68895317      9.26873511     -8.51189323
  O     17.00422745      6.47160842    -11.58133331
  H     14.35186601      7.25436621    -13.64767495
  H     18.08315338      7.98086068    -11.50109195
  O     20.14666025      9.94416522    -15.82318334
  H     17.86014381     10.24955901    -12.08111667
  H     19.19383173      8.54934884    -12.39445140
  O     16.87693707      8.35488443    -14.97230048
  H     17.88218528     11.44663336    -13.06913730
  H     14.06666962     10.26602878     -8.83553652
  O     13.89968169     10.82827683    -14.98469188
  H     18.05099142      5.64376445    -12.84179565
  H     15.46571449     10.55704402     -9.43006729
  O     12.87753069      8.73071041    -16.44457031
  H     18.96254045      4.47020411    -13.24685308
  H     19.77913996      7.77078853    -18.51410058
  O     18.82817231      9.36957439     -8.90974372
  H     13.09721486      7.33697237    -15.50620248
  H     18.94807661      7.28283666    -17.31291504
  O     18.71979927      8.70627974    -11.56741666
  H     12.57733332      5.98336622    -14.95513503
  H     14.55369153     10.17267673    -11.35153520
  O     14.69530291      9.96315384     -9.48580630
  H     17.34626893      5.86558035    -16.63906805
  H     15.62432714     10.59402775    -12.38519440
  O     19.21246819      8.07572959    -17.80891462
  H     18.39164162      5.59580079    -15.54077828
  H     19.34033028     11.30119864    -15.06570968
  O     14.72488132     10.24520284    -12.29865208
  H     15.28285545      6.99352722    -17.46981022
  H     19.29306698     12.81136054    -14.73436353
  O     18.82163142     11.99111541    -14.61447406
  H     14.87564109      6.34381815    -16.12735723
  H     16.79160556     10.22647189    -17.62177175
  O     16.89298414      9.63952740    -18.38371877
  H     16.25188781      6.78839025    -12.10534604
  H     17.69700370      9.12816269    -18.23248991
          69
 Energy    -247.98527142969132     
  O     13.03029752     12.11413977    -17.10799304
  H     13.77404158     11.91156132    -17.68760170
  H     16.10258139     11.09284019    -17.02608222
  O     18.38919284     12.26304948    -14.61602390
  H     13.41117034     12.28888260    -16.23668646
  H     15.59217767      8.52766822    -13.98658654
  O     14.53110646      4.77212009    -14.96721237
  H     18.83246187     12.96112026    -15.09134107
  H     14.79819900      7.71102424    -12.92544059
  O     14.46470013      8.86298995     -9.81235834
  H     17.74362317     11.87126740    -15.22716184
  H     11.87012280     10.81543407    -17.27836611
  O     14.14653400      6.02824429    -12.55009541
  H     14.40960073      5.53139178    -15.55943327
  H     10.50250690     10.30320350    -17.79063063
  O     12.93442592     10.25243478    -13.23776133
  H     14.22245695      4.00981903    -15.45051640
  H     17.47470290      8.22579247    -11.10145600
  O     13.66745183      8.82807094    -18.57583151
  H     14.77585758      7.94912881     -9.81160303
  H     17.00009351      6.78729606    -10.89142647
  O     15.38009075      6.15936690    -10.15102658
  H     15.20008916      9.39533768    -10.13909829
  H     11.61278937      7.47262452    -13.57918545
  O     16.54873289      8.38455622    -15.48995360
  H     13.21457281      6.29542230    -12.56855771
  H     11.62519534      7.79714894    -12.06278405
  O     14.22154009      7.14292137    -16.37234765
  H     14.32001699      5.50154983    -13.34187593
  H     17.04958893     12.62175650    -13.20410942
  O     18.94548769     10.24813990    -12.73105259
  H     13.72944274      9.69421722    -13.20604036
  H     16.27542564     11.87313304    -12.10345425
  O     16.39070525     11.09325444    -16.10405001
  H     12.47870768     10.10343234    -12.40138987
  H     19.38585475      6.98162747    -13.99472171
  O     15.09049514      8.59985562    -13.16516460
  H     12.79625049      9.14674092    -18.30843989
  H     18.32029706      7.39910221    -12.95683862
  O     11.33154530     10.01565723    -17.41811940
  H     13.89643394      8.13244200    -17.94594549
  H     17.47266748     10.18967054    -11.73607864
  O     17.69420577      7.31064047    -11.30966965
  H     14.91506967      6.01816809    -10.99510807
  H     16.07647246      9.54457987    -11.98792816
  O     11.63776488      7.07231283    -12.70026973
  H     15.21448439      5.39114641     -9.61123192
  H     15.49206857     11.22835766    -19.53106566
  O     16.23104459     12.63366097    -12.69396843
  H     17.35209849      8.11181971    -15.02720317
  H     14.72526007     10.20449766    -18.66088143
  O     18.67744463      7.60145996    -13.84019166
  H     16.61816250      9.32093304    -15.72177745
  H     11.38057784      9.54540554    -10.11703712
  O     16.60180196     10.03575244    -11.33546091
  H     13.50409287      7.58439298    -15.89381722
  H     12.83552862      9.12336480    -10.42182786
  O     15.23900546     11.03213923    -18.63329903
  H     15.05816773      7.55794260    -16.11557189
  H     13.71740319     11.57230424    -14.14791468
  O     11.95734480      9.25870757    -10.81998078
  H     18.89553994     10.93176127    -13.41139649
  H     14.92238541     12.50812921    -13.93049343
  O     14.31351534     12.18027799    -14.60812871
  H     19.01401023      9.40385895    -13.19188928
  H     12.31078764      9.16419950    -14.53808641
  O     12.05099218      8.47923964    -15.17126749
  H     15.64937783     11.42752929    -15.57648670
  H     11.67762453      8.94280272    -15.93102212
          69
 Energy    -247.98506998298811     
  O     11.91013737     11.21553330    -11.21594053
  H     12.62769904     11.45769653    -11.81389762
  H     17.16385868      7.02849033    -17.09590513
  O     13.25027673      7.40041195    -15.04116778
  H     11.20097670     10.87316965    -11.77532529
  H     14.66111679     12.11070281    -15.99352225
  O     17.56376682      8.78846026    -17.69353537
  H     13.39010636      6.90371941    -15.85574306
  H     15.30863566     13.49286279    -15.71327401
  O     12.12360986      9.90749953    -14.69926964
  H     14.07588868      7.88820450    -14.88293985
  H     15.60678062      9.03201435    -13.56737453
  O     16.50330593      6.13130040    -10.24937241
  H     17.54572167      9.47041640    -17.00113283
  H     16.06478138      9.29205548    -15.01728982
  O     13.20223043      6.40688701    -12.45344036
  H     18.25144099      9.03863305    -18.30582012
  H     11.92022429      9.55997229     -8.49062193
  O     15.81168701      9.85984101    -11.93538287
  H     12.39438167      8.99281084    -14.86005752
  H     12.10847796     10.01975858     -9.95801498
  O     14.71227415      8.95783697    -18.10273654
  H     11.32455960      9.87774081    -14.15929089
  H     11.59658823      7.09693829    -11.72658002
  O     15.43404518      4.68149575    -12.53981521
  H     16.16589485      5.48848838    -10.88373192
  H     11.25675294      8.07451872    -10.57962145
  O     17.26058953     10.58131623    -15.65429344
  H     15.78432143      6.76707153    -10.13058887
  H     17.53317627     10.51548161    -12.63284826
  O     14.15152666      6.20538619    -17.40027109
  H     13.86086404      5.70117297    -12.44492698
  H     18.73331409      9.59119824    -12.80079681
  O     16.80274542      6.18819195    -16.78436422
  H     13.14137055      6.71277180    -13.36970377
  H     17.60255244      6.77423663    -13.26756397
  O     15.30318526     12.58322764    -15.42851397
  H     15.33305151      9.25867316    -11.34555117
  H     16.48978986      7.13272261    -14.25113437
  O     15.57346246      8.67409726    -14.46388755
  H     15.16503262     10.49428258    -12.27926820
  H     17.37533480      8.54955004    -11.79824229
  O     12.18097768      9.25719207     -9.35590527
  H     15.67561044      8.92157376    -18.08801355
  H     17.69140361      7.20524484    -11.14731548
  O     10.89404675      7.65588026    -11.37024958
  H     14.41688929      8.05357978    -17.94849697
  H     13.91834596     10.38506363    -17.32948863
  O     18.35773704     10.41582843    -13.12712023
  H     15.58981008      3.77023070    -12.77545123
  H     12.92119108     10.73968878    -16.19550175
  O     17.06082687      6.39999690    -13.97495489
  H     16.01714952      5.21925451    -13.10124873
  H     13.96337028      7.48244913    -11.18913114
  O     18.03505212      7.84650263    -11.78823349
  H     17.76938595     10.56632057    -14.82981670
  H     13.68776666      8.41896747     -9.97955087
  O     13.55554058     11.12102686    -16.81494962
  H     16.66613991     11.34175887    -15.61884882
  H     14.42116323     11.95976327    -13.85517244
  O     14.39121576      8.01267991    -10.50096817
  H     15.09870206      6.11621680    -17.19116784
  H     13.34050009     10.86532354    -13.71665094
  O     13.94161740     11.43022804    -13.20732745
  H     13.94218437      5.52097802    -18.02995678
  H     10.28043304      8.96192150    -12.35113351
  O     10.03990061      9.76905363    -12.84090480
  H     17.05817687      6.10886489    -15.85709748
  H      9.08846291      9.78749032    -12.89570532
          69
 Ord_Energy   -247.985031    
 O   -5.06073141       5.15466499      -2.37977862    
 H   -5.23143768       5.40149403      -3.28515124    
 H   -4.55249739       5.88529301      -1.98169529    
 O   -1.71638632       7.74538851       3.24754477    
 H   -1.85076904       8.53545666       2.70179558    
 H   -2.57750678       7.31608152       3.33555198    
 O   -3.51812387       2.88632178      -1.53546524    
 H   -4.06339645       3.58782220      -1.91436493    
 H   -2.78728938       3.34051228      -1.09539688    
 O  -0.322036862       6.54024792       1.09744656    
 H   0.277846932       5.92286015       1.53948057    
 H  -0.821973085       6.96996403       1.80428100    
 O   -4.79321527       1.95643628      0.710392952    
 H   -4.20267391       1.42365670       1.25318503    
 H   -4.35426569       2.13632059     -0.135912463    
 O   -1.95175517       4.41530418      0.247980043    
 H   -1.39256406       5.18394423      0.410629362    
 H   -2.85548782       4.66929293      0.485761553    
 O   -7.39299536       2.89158082       1.05081558    
 H   -7.36982155       3.08230734       1.99499679    
 H   -6.57597828       2.40354323      0.870488644    
 O   -4.54044390       4.68997049       1.27031100    
 H   -5.29534674       5.03199673      0.773651600    
 H   -4.61225033       3.72692847       1.23230064    
 O   -3.02835488      0.775141180       2.57877183    
 H   -2.60056925      -7.33487532E-02   2.65768862    
 H   -2.32343531       1.44336069       2.52699971    
 O   -1.09572101       8.27429199     -0.882043421    
 H  -0.697262883       7.64910078     -0.253501803    
 H  -0.408836037       8.51952457      -1.49685204    
 O   0.924251199       4.71793413       2.74903202    
 H   0.352696925       3.94410682       2.67234230    
 H   0.675144732       5.14356279       3.57876539    
 O   -6.84261131       6.17963600       4.06971073    
 H   -6.96604347       5.21878099       4.00421429    
 H   -7.37214661       6.47606468       4.80655050    
 O   -7.05907726       3.41731071       3.91103911    
 H   -7.64889431       2.83897901       4.38951015    
 H   -6.16018343       3.06830549       4.04763126    
 O   -3.72948718       7.16670990      -1.14727914    
 H   -4.15397596       7.58214951     -0.385585338    
 H   -2.83525705       7.52351665      -1.18051648    
 O   -2.30441546       9.63444710       1.36825013    
 H   -3.23715115       9.40088749       1.26086009    
 H   -1.87513113       9.36865425      0.546402335    
 O  -0.278305799       6.15077400       4.96460962    
 H   0.142680973       6.61477518       5.68399954    
 H  -0.704711914       6.82453728       4.40760279    
 O   -4.78901577       8.31274509       1.21777761    
 H   -4.49730253       7.73197460       1.92810786    
 H   -5.75200081       8.20913029       1.20305610    
 O   -4.16243362       6.36372757       3.31546879    
 H   -4.24065638       5.73488998       2.57619095    
 H   -5.04128504       6.42493296       3.71100879    
 O   -6.84880877       5.28086710     -0.194466099    
 H   -6.39628458       5.16227674      -1.03810954    
 H   -7.16047716       4.41757822      0.119527459    
 O   -1.32500434       2.91218519       2.49077272    
 H   -1.72459102       3.43973064       3.19655681    
 H   -1.51773465       3.36547565       1.65607345    
 O   -4.54360437       2.48531151       4.31605005    
 H   -3.83925366       3.09416199       4.57008266    
 H   -4.11978674       1.79757726       3.78919268    
 O   -7.36909389       7.45129013       1.45966268    
 H   -7.31643152       6.72513914      0.819606185    
 H   -7.33556557       7.03817987       2.32876611    
 O   -2.49961615       4.44738722       4.55542040    
 H   -3.10734439       5.11132050       4.20310545    
 H   -1.72661626       4.93231773       4.87035847    
          69
 Ord_Energy   -247.984940    
 O    6.90194654      -6.09407997       1.19336331    
 H    7.25423002      -6.13487768      0.292368263    
 H    7.64456415      -5.84886408       1.75791204    
 O    1.04448366      -3.50994039      0.513831973    
 H    1.33016896      -2.98363304       1.26855195    
 H    1.56500816      -4.32500124      0.515037596    
 O    8.05748081      -2.60388470       2.55806899    
 H    7.53278685      -2.13485622       3.21640420    
 H    7.86702538      -2.17756152       1.71319747    
 O    5.29570341      -5.67542887      -3.76630521    
 H    5.99445820      -5.02255011      -3.63598967    
 H    4.48576880      -5.26477289      -3.43501377    
 O    5.25683737      -2.72991610      -1.03891194    
 H    5.11363602      -3.19376993     -0.199414343    
 H    4.61506319      -2.00731516      -1.13478041    
 O    3.02817178      0.271496564       1.25732481    
 H    2.58430552     -0.424688280       1.76698804    
 H    2.58620715       1.09119320       1.46831512    
 O    1.83753896      -1.79155910       2.68934846    
 H    2.66916466      -2.16751599       3.03544354    
 H    1.20340228      -1.82400382       3.40072918    
 O    6.32390594      -1.05136669       4.17328072    
 H    6.16247606     -0.490766495       3.39200926    
 H    6.53512621     -0.465918034       4.89495134    
 O    9.43224621      -2.42116976      -1.54852712    
 H    9.70011616      -3.21103239      -1.04447711    
 H    10.2242241      -2.06377149      -1.94097102    
 O    3.35215735     -0.859330714      -1.30187464    
 H    3.17350674     -0.404778242     -0.469213724    
 H    2.52799368      -1.27996027      -1.57805097    
 O    9.16572666      -5.03913212       2.48867369    
 H    9.65855598      -5.20612335       3.28678894    
 H    8.78524971      -4.14432764       2.56968951    
 O    4.17443323      -2.77046537       3.49474263    
 H    4.90929461      -2.23601913       3.81620240    
 H    4.50852728      -3.29315996       2.75178361    
 O    7.21174622      -3.83068275      -2.66972637    
 H    8.00422192      -3.31322908      -2.48356605    
 H    6.50565672      -3.42824888      -2.14293647    
 O    5.96325302      -7.95269251      -2.44417381    
 H    5.67079449      -7.18907166      -2.97357607    
 H    5.96136045      -8.70818710      -3.02565885    
 O    7.41450500      -1.32335150      0.102611981    
 H    6.65949059      -1.76702118     -0.304977238    
 H    8.17618752      -1.54876113     -0.446189493    
 O    5.86643696      0.295800954       1.87404490    
 H    4.95028210      0.280801445       1.57502294    
 H    6.40565538     -0.111042820       1.18334556    
 O    9.99158096      -4.71986866     -0.225624308    
 H    9.43604851      -5.38155127     -0.659502923    
 H    9.83611393      -4.82803059      0.720478833    
 O    4.88716650      -4.20462513       1.22453737    
 H    5.63054228      -4.82116556       1.28346276    
 H    4.12182713      -4.70992613      0.916047752    
 O    2.82143712      -5.64577198       5.18478602E-02
 H    3.36270237      -6.44772911      0.111678779    
 H    2.91618657      -5.31750631     -0.852633297    
 O    7.91972446      -6.22075033      -1.39673316    
 H    7.38849258      -6.93619537      -1.76621830    
 H    7.65820646      -5.41405296      -1.86406136    
 O    4.71706915      -7.62839508      0.130945012    
 H    5.44579744      -7.26089716      0.646702528    
 H    5.08710337      -7.83243704     -0.736825824    
 O    3.26884675      -4.29142046      -2.39238071    
 H    2.49253821      -3.71944809      -2.43664289    
 H    3.96467495      -3.76133800      -1.98119318    
 O    1.12790346      -2.48717666      -1.97874963    
 H   0.256213546      -2.40078592      -2.35374069    
 H    1.01655877      -2.83876467      -1.07584918    
          69
 Energy    -247.98489764952532     
  O     11.72152551     10.70207120    -14.52200289
  H     11.91108184     10.18415169    -15.31981755
  H     19.49757460      7.55103608    -14.66518173
  O     16.78535254      6.84899634    -12.69362709
  H     12.32429605     11.45117252    -14.55133608
  H     14.81807717     11.61331587    -18.15389599
  O     17.70881447     10.96935823    -11.93120455
  H     16.06178412      6.82900543    -12.05469145
  H     15.37519669     10.84572588    -16.92902561
  O     16.54431770      9.85290440    -16.17586527
  H     17.51366846      7.34794507    -12.29597123
  H     15.90906843      8.10730719    -13.64695205
  O     13.55017633      6.68388208    -16.14884839
  H     16.80196850     11.11691350    -12.23383557
  H     14.40825773      8.28867419    -13.94779663
  O     15.06640244      9.87097062     -8.61666076
  H     17.69652089     11.11107990    -10.97573347
  H     10.34850302      9.06211625    -12.23869307
  O     14.54931283      7.09170726    -11.03013359
  H     17.34653554     10.19714072    -15.75782156
  H     11.38173708      9.70441145    -13.20064806
  O     15.08103940     11.16197186    -12.84382700
  H     16.05159867      9.40422735    -15.47172384
  H     18.60324232      8.20553873    -10.01651933
  O     16.32592670      7.12928624    -16.97537468
  H     13.33106085      6.69399185    -15.20397487
  H     18.10776726      9.24151378     -9.00088646
  O     15.87517116      7.09772140     -8.55940777
  H     13.15004552      5.89523864    -16.50986394
  H     12.32588061      7.69493000    -13.15308888
  O     18.24196022      6.43508314    -15.06760265
  H     15.23962495      8.93491132     -8.46053282
  H     13.50966226      6.84813723    -12.63174935
  O     20.13653460      8.20638181    -14.32876803
  H     14.44535593      9.90418818     -9.35710245
  H     19.26228844      9.86946249    -14.58622604
  O     14.61411136     11.35798655    -17.25817150
  H     14.93943706      6.93882163    -10.15992209
  H     18.46221710     10.89795239    -13.75776204
  O     15.26620163      8.71761710    -14.03523141
  H     14.25906038      8.01550372    -11.02684404
  H     18.47999306      9.32152316    -11.89122165
  O     11.27429432      9.07310577    -12.46417014
  H     15.16267476     10.30392775    -13.29130068
  H     19.45095859      8.33642081    -12.60072939
  O     18.24404378      8.29405676     -9.12324972
  H     14.69753232     11.76950277    -13.48597515
  H     16.57102547     10.71239804     -8.91850748
  O     13.03041993      7.09553441    -13.43380324
  H     16.46704583      8.08154665    -16.89486025
  H     17.63746302     11.73503399     -8.46067600
  O     18.68646100     10.64198250    -14.65977856
  H     15.41694520      6.96959953    -16.69632388
  H     14.06477325     10.33166033    -11.57328244
  O     18.87835567      8.44027519    -11.83082698
  H     16.76217212      7.45157081     -8.75324057
  H     12.71720788      9.58000366    -11.38310136
  O     17.45924864     11.06219632     -9.11242202
  H     15.97339586      6.50133585     -7.82219134
  H     13.75240926     13.57948097    -15.05212813
  O     13.57860564      9.74205049    -10.97988152
  H     17.70154720      6.36281712    -14.27041470
  H     14.09924997     12.24905455    -15.75492224
  O     13.82782477     12.63902819    -14.90846301
  H     17.62496720      6.58015257    -15.79806419
  H     13.29800699      9.91048427    -17.03763856
  O     12.58884150      9.33200376    -16.73514238
  H     20.99590311      7.93972086    -14.64238724
  H     12.95930856      8.44578833    -16.65064348
          69
 Energy    -247.98485494421675     
  O     11.85098045     10.74262615    -14.15315782
  H     12.31977726     11.57562976    -14.27743929
  H     18.84940783      8.37794451    -14.45201677
  O     16.41252279      7.05247211    -13.72447426
  H     12.16806442     10.16180186    -14.85905453
  H     14.93073523     11.42665852    -17.26879831
  O     17.37220190     11.91820705    -11.30811087
  H     15.93476023      6.94884550    -12.89041748
  H     16.01294360     11.98420760    -16.33702256
  O     17.42110241     11.13457821    -15.50172094
  H     17.27454433      7.44698644    -13.53844681
  H     15.73400967      8.64720866    -14.23552702
  O     12.62648884      6.37241804    -15.58344707
  H     16.53635414     11.93054038    -11.79691665
  H     14.58656717      9.37972254    -14.99167393
  O     14.84854545      6.94833502    -11.44293511
  H     17.23814715     11.29553016    -10.58383174
  H     11.67522773      9.87303828    -12.66448539
  O     14.99503943     11.54098127    -12.69818482
  H     18.01457013     11.32479248    -14.76498734
  H     10.73455107      9.48304753    -11.50006896
  O     16.50400163      7.69141804    -18.03433265
  H     16.73789882     10.53535164    -15.15944910
  H     17.90199260      8.61811049    -10.41075710
  O     16.74413545      5.93813200     -9.74203710
  H     12.56900516      6.49680636    -14.61771893
  H     18.65645828      8.03606539    -11.63573130
  O     18.58933823      8.67258197    -16.24749241
  H     11.93866070      5.75739742    -15.82201320
  H     13.30876342      6.70832299    -12.41804026
  O     15.40588813      6.15999123    -16.13701503
  H     14.69776318      7.86822454    -11.19129963
  H     12.09845417      7.63955401    -12.59519642
  O     18.81058939      8.47025150    -13.48766435
  H     15.42002277      6.54195272    -10.77570134
  H     19.95695639     11.72842737    -13.12290090
  O     15.12744397     12.16604116    -16.68404387
  H     15.16585825     10.79778882    -13.29856537
  H     18.54448807     11.55501115    -12.51226139
  O     15.39595213      9.51619581    -14.48499229
  H     14.49290885     12.18002148    -13.21537938
  H     15.75311473      9.74042380     -9.88176428
  O     11.60528793      9.33099750    -11.85751981
  H     16.10048001      7.10513608    -17.36700417
  H     16.60155148      9.63975285     -8.59825880
  O     18.42094785      7.86385849    -10.71656134
  H     16.89491363      7.12497603    -18.69486370
  H     14.45607293      9.84338803    -19.18863892
  O     12.50637247      6.83775557    -12.94200884
  H     17.18653956      5.11294354     -9.56210468
  H     15.35247450      9.07561093    -18.19413208
  O     19.12401761     11.28101760    -13.24502936
  H     17.42958304      6.54557350    -10.07073037
  H     13.27198002      9.50708148    -11.01535286
  O     16.65518825      9.82308525     -9.53376792
  H     18.30511034      9.59119482    -16.14363546
  H     14.47093347     10.36189009    -11.44393971
  O     14.65947176      9.75254109    -18.26046304
  H     17.94995781      8.28343623    -16.85249724
  H     14.08316982     12.72608016    -15.38538826
  O     14.20982087      9.65197093    -10.83819926
  H     15.81705941      6.35829854    -15.28286146
  H     13.33506366     13.92238335    -14.75667259
  O     13.54533423     13.00229962    -14.62202971
  H     14.45620902      6.12233957    -15.97648970
  H     12.88940278      8.14925186    -15.98291866
  O     13.07702901      9.09595534    -16.03099489
  H     18.94847033      9.41205174    -13.32398136
  H     13.50605582      9.27884827    -16.87573507
          69
 Energy    -247.98473508076455     
  O      4.03931447     -0.05709432      1.19631181
  H      3.37507607     -0.62696746      0.77788886
  H     -0.13502920      4.54199118     -0.80698536
  O      0.30416874      2.08617581     -2.71382579
  H      4.39270451      0.48260632      0.47855446
  H      0.28544249     -1.81938923     -2.56131954
  O      0.47135704      0.78600921     -0.20983951
  H      0.08419970      2.97397540     -2.40148760
  H      1.36049011     -2.76305955     -3.14744216
  O     -1.39869347     -1.37191431     -2.46503740
  H     -0.52039430      1.71753275     -3.05622616
  H     -0.12859683     -2.61298198      2.31350398
  O     -2.76916413      2.56369016     -1.01422462
  H      0.47439642      1.21841699     -1.07151193
  H      0.55210378     -1.40306416      2.96599322
  O     -2.30015747      1.16207408     -3.29157133
  H      1.14697327      0.09600901     -0.20551818
  H      0.51398120      3.86981795      1.23394561
  O      0.30046200      2.14216863      2.13087356
  H     -1.69106844     -1.28498466     -1.54816402
  H      1.78209421      4.32421664      0.50024083
  O      3.38028165     -1.63688534      3.48408912
  H     -1.73575109     -0.57809209     -2.89913643
  H      2.96696132      1.56793329      3.74901167
  O      2.68545938      0.34608192      5.20671355
  H     -2.80752086      2.33226284     -0.07920680
  H      3.33014089      1.22868300      2.28609331
  O      0.14035446      0.05874954      4.00766047
  H     -2.13039851      3.28278418     -1.10398591
  H     -1.94430886     -2.08863257      1.26148934
  O      4.52926887      1.54012835     -1.06774744
  H     -2.93854676      1.42882781     -3.94745061
  H     -2.55821994     -3.46645640      1.60462430
  O     -0.69781842      4.46044216     -1.59878469
  H     -2.55041842      1.60613408     -2.46056880
  H     -2.75112453      0.99416557      2.41785567
  O      1.23355277     -2.03881506     -2.54017571
  H      0.33944629      1.69140919      1.27053140
  H     -1.67129982      1.96589132      1.91281685
  O      0.73063494     -2.19060506      2.43130445
  H      1.21834490      2.19079343      2.43861832
  H      1.88725728      1.13905009     -2.88617209
  O      0.83333645      4.50365104      0.58349516
  H      2.57496277     -2.04667843      3.14527137
  H      2.23903583     -0.35542671     -2.75164360
  O      2.96825756      1.92594273      2.85410123
  H      3.79536672     -1.19492858      2.73155055
  H     -2.56387390     -1.31221037      3.17679892
  O     -1.97134161     -2.79104864      1.93473929
  H      2.99994678     -0.41292482      4.68233052
  H     -1.72039401     -0.28265322      3.92794426
  O     -2.54588603      1.61709540      1.70361034
  H      3.08080791      0.27086101      6.07061121
  H      1.49870213     -1.86525031      0.80745303
  O      2.62384661      0.52763528     -2.74683050
  H      0.13376376      0.80040577      3.38705062
  H      1.74976102     -1.88870425     -0.75908924
  O     -2.60843472     -0.43712806      3.57681351
  H      0.91332537      0.17895094      4.57241552
  H      3.42708741      3.19660680      1.46276657
  O      2.02201468     -1.49897128      0.08016912
  H      3.86693554      1.17385186     -1.67891018
  H      3.80968342      2.99114860     -0.01451860
  O      3.45180923      3.63815658      0.60443966
  H      5.30936380      1.71693983     -1.58774617
  H     -2.31126308      0.02642641      0.66791006
  O     -1.83286919     -0.67115325      0.20431398
  H     -0.83618278      5.34381100     -1.92878582
  H     -0.97791931     -0.26184814      0.00454102
          69
 Energy    -247.98473145741718     
  O     17.35754171     10.52491960    -17.75877864
  H     16.55557112     11.01925872    -17.55830953
  H     18.31016682      6.21610250    -12.81903661
  O     15.48325821      5.87689340    -14.15930421
  H     18.11486977     10.99379838    -17.37301011
  H     17.08225403      7.88620653    -15.85353434
  O     17.93714830     14.17480383    -11.92051259
  H     16.01501437      5.81662815    -14.96663459
  H     17.19981605      9.35424069    -16.36668066
  O     19.81916475      9.07809349    -14.76269192
  H     16.11178436      5.95128995    -13.43310300
  H     14.98211571     11.84753108    -15.91751743
  O     15.54152144      6.97602356    -18.69884228
  H     18.10388727     13.77867716    -12.78740230
  H     14.33660799     12.24234987    -17.26116913
  O     16.54408811     11.27620037    -10.19583784
  H     16.99197414     14.05394471    -11.76928523
  H     17.19385991      7.95582577    -11.72248921
  O     15.28206961      9.43596344    -13.74463867
  H     19.80087898      9.58182586    -13.93657853
  H     16.31911507      9.07838230    -12.33014953
  O     18.10933067     12.47523426    -14.15413607
  H     18.89023266      8.99025902    -15.03245565
  H     13.83589497      8.38727866    -16.35647641
  O     19.62029071      6.38472941    -13.97950847
  H     15.01694663      7.64241227    -18.22075082
  H     14.32384237      9.68396686    -17.05173131
  O     13.45084402      7.56877804    -14.66878862
  H     14.96369514      6.58563305    -19.34888168
  H     19.83651626     12.72785790     -9.74244619
  O     16.98911968      6.11668308    -16.46172761
  H     16.62597679     10.38432170    -10.55736901
  H     18.82448028     13.08699286    -10.85775015
  O     17.56518433      6.18706497    -12.19371197
  H     17.44732909     11.59652707    -10.08007523
  H     18.42987902      9.89346506    -12.16875460
  O     17.18365080      8.80374882    -15.57169200
  H     14.53103604      8.86362099    -13.93989142
  H     19.34279593     11.06039531    -11.71370037
  O     14.86596720     11.56853700    -16.83978411
  H     15.97242749      9.21542308    -14.39230751
  H     15.63547845     12.50142436    -11.05981007
  O     16.99072580      8.89637006    -11.65619377
  H     18.43376499     11.76322149    -13.58433662
  H     14.54344626     13.59613011    -11.03097747
  O     14.12047033      8.75458125    -17.20256507
  H     17.15415589     12.35741253    -14.23501117
  H     19.96859383      7.63129053    -16.44928302
  O     19.20647716     12.34926622    -10.34915247
  H     19.67013040      6.02133354    -14.86658840
  H     19.22554655      7.32811520    -17.76252413
  O     19.14999440     10.47388373    -12.45535184
  H     19.82172437      7.32373537    -14.09657057
  H     15.23593240     11.17408831    -13.94996166
  O     15.23200233     13.22323951    -11.57520161
  H     14.13640202      6.90158421    -14.47728195
  H     15.17819814     12.59468113    -13.33043988
  O     19.60359341      6.91109664    -16.96960401
  H     12.61503145      7.18689162    -14.41623655
  H     19.07138007     12.01446768    -15.66167193
  O     15.30471521     12.11927526    -14.16080755
  H     16.48428809      6.27914176    -17.27014345
  H     19.87785714     10.74457103    -15.95681146
  O     19.49508861     11.52090401    -16.37892467
  H     17.92439445      6.24519594    -16.67407663
  H     17.95317374      9.04317366    -18.70662931
  O     18.16136938      8.13834857    -18.97795188
  H     17.76102440      5.49142530    -11.57051813
  H     17.30337440      7.70681393    -19.06509947
          69
 Energy    -247.98467339626831     
  O     14.27192747     11.92170104    -13.69992761
  H     14.84933111     11.48537791    -14.33638451
  H     15.13124699      6.31320284    -15.86105618
  O     14.89155863      6.23414853    -14.10333847
  H     14.82032627     12.11087978    -12.92918341
  H     18.53170683      5.73223381    -11.55962167
  O     15.54656097      7.00797560     -9.98166938
  H     15.15411936      5.60315658    -13.42229777
  H     18.74416795      5.63145102    -13.08400058
  O     18.72802716      8.70609540    -12.43252438
  H     15.28974636      7.07845372    -13.83698553
  H     18.33657168     10.47886540    -12.94472645
  O     14.21696674      9.17884087    -16.79144234
  H     15.48601368      7.94422177    -10.22282913
  H     17.46283961     11.10827396    -14.05632849
  O     12.82327830      6.74094486     -9.73467263
  H     14.64079008      6.76935353     -9.73534953
  H     16.97324498      8.50676471    -12.94271278
  O     12.29493790      6.87598896    -13.31829853
  H     18.67305949      8.23083749    -11.59385773
  H     15.58902801      8.90438388    -12.38214639
  O     15.02606104      9.58552086    -10.82213501
  H     19.10945438      8.10062322    -13.08337526
  H     11.13903912     11.82733647    -13.34382001
  O     17.67372251      7.97344064    -16.13554677
  H     13.38157643      9.12488941    -16.30273036
  H     12.63137664     11.42977633    -13.44029518
  O     11.58340397      4.83087816    -11.50248823
  H     14.49885637      8.27069211    -16.94414003
  H     13.97899707      2.19644706    -11.47590290
  O     19.42329242      6.85448481    -14.40081044
  H     12.56647491      7.57469926    -10.14818454
  H     14.45504551      3.64421314    -11.68817936
  O     15.33915209      6.50579757    -16.79128558
  H     12.36047995      6.05480383    -10.22985603
  H     11.93830582      8.19006092    -14.63411101
  O     18.41066123      5.14779788    -12.31868539
  H     13.16972474      6.61293095    -13.63609263
  H     11.78784693      9.71800277    -14.61680893
  O     17.92513139     11.30534719    -13.23183250
  H     11.96136231      6.14920027    -12.77886049
  H     17.34525464      7.00155221    -10.01322847
  O     16.02931516      8.51170209    -13.14687440
  H     15.30097870     10.50368055    -10.92852415
  H     18.71422867      7.01896523     -9.30153080
  O     11.73712144     11.09038926    -13.25487925
  H     14.07838119      9.51051547    -11.01261727
  H     15.62371054      5.59275151    -11.22276568
  O     13.66401202      3.08340172    -11.62763719
  H     17.30010442      8.84663887    -15.97700088
  H     16.68168054      4.81943672    -12.05793813
  O     11.94902549      8.96992154    -15.20311814
  H     16.94516473      7.43454529    -16.47042862
  H     12.07668338      9.76508433    -11.99377893
  O     18.30375494      7.05844886    -10.16206076
  H     10.75811273      4.37568630    -11.35662065
  H     12.40824698      8.26688326    -12.13736006
  O     15.73866225      4.85795988    -11.83950772
  H     12.27672072      4.15030082    -11.55093040
  H     16.77161938     11.88560279    -12.05849769
  O     12.42619731      9.00546053    -11.51072042
  H     20.24009136      6.68802699    -14.86423824
  H     16.30210271     12.91642018    -11.00297384
  O     16.03295054     12.13169744    -11.47251557
  H     18.80311030      7.22358848    -15.05478549
  H     15.45519206     10.02927721    -15.89286486
  O     16.12008920     10.30188365    -15.23894377
  H     15.07048027      5.74397349    -17.29791648
  H     16.02941957      9.68212355    -14.49736215
          69
 Energy    -247.98465599946417     
  O     14.33078203      9.53833186    -16.06259162
  H     14.60139300      9.14478407    -16.89794474
  H     21.22137211      4.41175074    -16.29180093
  O     13.74980361      3.35802764    -16.15791902
  H     15.14590843      9.77186928    -15.60280998
  H     16.89427995      8.27442133    -17.34292774
  O     18.10322486      6.00937333    -11.89546602
  H     12.89732898      3.02800294    -16.43050227
  H     17.51109757      8.99786377    -16.10724467
  O     19.20253820      6.28227077    -17.81068345
  H     13.74566405      4.31949349    -16.32117618
  H     17.12096806      6.78991131    -15.94298301
  O     16.88164875      5.46088340    -19.26632490
  H     18.93920126      6.10443020    -12.37260737
  H     17.11672331      5.29813002    -15.47496683
  O     14.08551077      5.75909773     -9.72256135
  H     17.50091159      6.67867939    -12.24811461
  H     12.97408157      7.46764999    -13.87595402
  O     14.42399740      4.00247340    -13.45923699
  H     18.50370559      5.93556209    -18.37845927
  H     13.16626746      8.44329300    -15.08247158
  O     16.26744296      7.65987301    -13.17018982
  H     18.87275912      7.13561722    -17.49557611
  H     16.53533010      1.49779954     -9.97064417
  O     17.95270538      3.64172608    -15.47436909
  H     16.60208563      4.71481719    -18.70608817
  H     15.50505454      2.51476448    -10.52065691
  O     13.89055673      3.11854946    -10.83895615
  H     16.87785434      5.14078500    -20.16499206
  H     13.46540297      6.56924368    -15.84088452
  O     16.21699875      3.39209180    -17.63057485
  H     13.79498247      6.11054564     -8.88536956
  H     14.93223328      6.04249627    -15.99781657
  O     20.46310443      4.84946281    -15.91394593
  H     15.04094517      5.58808212     -9.64017418
  H     20.41595756      5.78572170    -14.31661173
  O     17.69886966      8.36362196    -16.80918064
  H     14.19126130      3.69208854    -14.34136300
  H     21.05909534      6.91357291    -13.50032239
  O     16.65694536      6.14190030    -15.39735037
  H     15.37300586      3.86139218    -13.33847631
  H     17.49126180      4.41924640    -12.52419212
  O     12.65562981      7.68568359    -14.76012339
  H     15.40319095      7.40291919    -12.82124980
  H     17.01025268      3.01787063    -12.06668797
  O     16.45741793      2.33472700    -10.41962074
  H     16.42119050      7.09264193    -13.94340431
  H     17.29840309      5.47787283    -10.29893001
  O     14.04607042      6.01911827    -16.38891770
  H     18.87184158      3.92343188    -15.55342601
  H     16.75490891      4.14053295     -9.75810882
  O     20.35309299      6.27100548    -13.48160467
  H     17.76166258      3.47601819    -14.54001873
  H     14.78561109      7.13409868    -17.65531549
  O     17.14938170      3.57171598    -12.84457732
  H     13.78954838      3.96543831    -10.38687776
  H     15.87744842      7.01284359    -18.71609866
  O     16.72348489      5.09525734     -9.62238314
  H     13.90955855      3.32934983    -11.78286908
  H     13.99927564      5.69425592    -12.84077241
  O     15.39292709      7.66426591    -18.19225181
  H     16.87129834      3.34065016    -16.91949270
  H     13.83952985      6.38573097    -11.46606911
  O     13.86929515      6.55494790    -12.41565073
  H     15.36271520      3.25347072    -17.20664433
  H     16.62003695      9.18559849    -14.00524304
  O     16.80258867      9.91139510    -14.62651986
  H     20.05462281      5.37440204    -16.62704970
  H     17.04033498     10.67211870    -14.10313281
          69
 Energy    -247.98465290257604     
  O     16.96165192      7.65595157    -11.84518406
  H     16.11558962      7.66330098    -12.31593090
  H     16.72103614      6.79243626    -16.83663313
  O     16.18679934      1.64030723    -12.79882070
  H     17.65776899      7.65584890    -12.51538537
  H     17.74571220      1.22117662    -12.15005180
  O     20.78555965      5.48705221    -13.29838616
  H     16.22934333      1.97387579    -13.70019218
  H     18.71701516      0.33356482    -11.33218389
  O     14.77108285      4.11453534    -16.49505331
  H     15.68346179      2.28029576    -12.27947417
  H     14.16129592      8.07572237    -10.05896486
  O     19.08211723      4.42913386    -16.87566244
  H     20.37392108      4.94541643    -12.61067439
  H     13.32634419      6.77983091    -10.09480364
  O     13.43991051      5.02970394     -9.33798310
  H     21.02574313      4.86800203    -13.99816212
  H     18.53763064      4.27967744    -11.02526309
  O     19.45113803      1.55785279    -14.59086020
  H     14.11232190      3.94584124    -17.16239182
  H     19.07684805      2.92013386    -11.59012499
  O     17.13138133      5.22172197    -10.39568388
  H     15.13880546      5.00088493    -16.67718515
  H     15.72453100      4.91686962    -13.71641240
  O     18.58763419      7.08756065    -16.72354967
  H     18.38987767      3.80983170    -16.62602777
  H     14.55873367      4.60381034    -14.68084917
  O     17.50257130      4.79001250    -13.69461371
  H     19.87813673      4.13946715    -16.40963127
  H     19.58880967      6.74761961    -13.70284512
  O     21.22430088      3.48210601    -15.30487077
  H     13.88440391      4.49440368    -10.01503499
  H     18.75006123      7.36197984    -14.87184850
  O     15.78450247      6.56751247    -16.83129895
  H     12.74722722      4.48587097     -8.97093229
  H     14.43287148      6.61489956    -13.32354308
  O     18.67507125      1.11402527    -11.87775199
  H     18.59468964      1.78701120    -14.97337901
  H     13.96148881      7.60626511    -12.20799906
  O     13.42456002      7.64519370    -10.51065100
  H     19.28177674      1.31782769    -13.67208144
  H     15.73932126      4.19851234    -10.99678115
  O     19.17252459      3.87875103    -11.63758991
  H     16.80922285      5.45534989     -9.51391858
  H     14.69978000      4.14438989    -12.15308031
  O     14.75571498      4.89307234    -13.78306990
  H     17.11456708      6.02881965    -10.92777549
  H     16.23803209      3.09052824    -15.93351993
  O     18.78611756      7.25291288    -13.91374627
  H     19.03593049      7.54626464    -17.42939727
  H     17.28404704      3.51464169    -14.87508914
  O     14.44396040      7.54128551    -13.04515972
  H     18.80054863      6.14194001    -16.82178832
  H     14.97044906      5.75906460     -8.37877133
  O     14.93454093      3.75039226    -11.29951565
  H     18.05091469      4.39110473    -13.00664031
  H     15.85068435      7.02617802     -8.42686476
  O     17.03517040      2.79247737    -15.47725015
  H     17.89175132      5.65260195    -13.88311465
  H     16.24078756      9.50198643     -9.23549067
  O     15.84025092      6.10350367     -8.13969758
  H     22.05464096      3.09713683    -15.57273434
  H     16.38342348      8.37939661    -10.28595682
  O     15.91545888      8.63769888     -9.47452430
  H     20.65649268      2.74711530    -15.01120845
  H     14.46629758      8.37650056    -14.63315893
  O     14.53356868      8.67732155    -15.55361555
  H     15.32405953      7.32948336    -16.45126719
  H     13.97795954      9.44939745    -15.61962332
          69
 Energy    -247.98459345430371     
  O      0.72298042     -0.59976437      1.42734488
  H      0.50933634      0.25623451      1.81321494
  H      1.70475531      2.57338481     -1.21103317
  O      2.59657301      1.74818890      4.11074395
  H      1.00159810     -0.44714949      0.51241820
  H      2.31247223     -0.87037878     -1.48911801
  O      0.36774540      1.94291456      2.62699903
  H      3.05954518      0.91126077      4.22831982
  H      1.50925703      0.44592704     -1.70502596
  O      7.31245191     -1.67061310      1.66354962
  H      3.25763299      2.44776501      4.04605893
  H      4.37862081      0.46206349      0.85307520
  O      5.72820050      4.26911216     -0.70487960
  H     -0.35782290      2.26075695      3.15656409
  H      4.95763040      1.81271911      1.34942884
  O      2.56696507     -2.35097160      2.42288758
  H      1.14328616      1.87607073      3.21521390
  H      1.30609278      2.62133509      1.20003731
  O      6.29463313      2.35189139      2.54798776
  H      7.89889216     -2.41836759      1.59079676
  H      2.73519306      2.30436084      0.67582154
  O      3.89985961     -1.78617229     -1.61126229
  H      7.51757318     -1.07462462      0.91933770
  H     -0.21385196     -2.21041079      0.35589630
  O      3.82467847      4.83172213      1.27168663
  H      5.32761042      3.62754930     -1.30394303
  H      0.29845237     -1.97836153     -1.04730641
  O      7.68501261      0.01398180     -0.41214778
  H      6.53864151      3.84748056     -0.39484513
  H      3.30841243     -1.47015131      3.79970097
  O      2.43552171     -3.79405007      0.07004846
  H      1.87860099     -1.71478673      2.16879236
  H      3.57486549     -1.29058671      5.30695794
  O      1.71213764      2.29319190     -2.14398608
  H      2.55291387     -3.03506914      1.73696029
  H      5.52067005     -0.39243991      4.03094023
  O      1.47198684     -0.42785463     -1.30346763
  H      6.37775591      1.52836582      3.05361100
  H      6.78306434     -0.66682594      3.17493814
  O      4.29477154      1.42150468      0.76875682
  H      5.74096741      2.95875451      3.05365217
  H      4.16324533      4.34618263      2.88655389
  O      1.94298753      2.84110283      0.50972691
  H      4.58718173     -1.38856451     -2.15582494
  H      4.43591615      4.69387398      4.37146534
  O     -0.09611832     -2.66115389     -0.48732091
  H      4.19286528     -1.64130021     -0.69739342
  H      7.38517993      2.63574242      1.21761393
  O      3.73271908     -0.89136134      4.45370013
  H      3.06938025      4.31939253      0.95896204
  H      8.73851294      3.12386049      0.64898344
  O      6.39441456     -0.04899941      3.80729061
  H      4.50999887      4.74079775      0.59370769
  H      5.47417133      0.65330956     -2.53943990
  O      4.38191037      3.96623225      3.75801115
  H      7.16011279     -0.07068215     -1.21650649
  H      6.32170752     -0.04931243     -3.62541317
  O      7.90031020      2.74291774      0.39801185
  H      7.78070522      0.95766268     -0.23377744
  H      4.49515578      1.78531142     -0.97983320
  O      5.99119652     -0.14721513     -2.73569739
  H      1.51810857     -3.58026558     -0.15482940
  H      3.58275098      2.12704200     -2.18320880
  O      4.50345815      1.99341819     -1.92826702
  H      2.96608432     -3.38379778     -0.62004988
  H      3.98358679     -1.70004319      1.52354286
  O      4.64765827     -1.27702843      0.96438212
  H      1.11134028      2.86674156     -2.61201889
  H      5.52791194     -1.53177287      1.26476209
          69
 Energy    -247.98448980372393     
  O     13.59613747      8.07648708     -9.84478444
  H     13.06004528      8.06463685     -9.05639345
  H     18.76413060      6.37879362    -16.38131245
  O     14.52605024      5.24748390    -14.24199717
  H     13.56117852      7.18010301    -10.22410387
  H     16.78331097     10.31689877    -15.10404958
  O     16.66529189     11.27454084    -10.69781712
  H     14.86686352      6.11780465    -13.97842416
  H     16.34395048     11.78380381    -15.32274686
  O     18.62590800     10.58451158    -12.72758122
  H     14.92012627      4.62669127    -13.61682949
  H     16.31548868      7.71217153    -12.78320783
  O     11.79887240     10.88727800    -15.70363933
  H     17.42472881     11.13050585    -11.27502222
  H     14.84357550      8.22070721    -12.93870921
  O     12.32449764      8.29948193    -14.63987707
  H     15.95046619     11.54533726    -11.28782071
  H     12.89055829      5.66051366    -11.83366280
  O     14.80141006     11.67081868    -12.80225641
  H     18.05942384     10.87819872    -13.46035092
  H     14.27520980      5.17300591    -11.34491525
  O     15.06527967     12.54666311    -16.32652748
  H     19.46578911     11.02327567    -12.84042608
  H     16.06661185      3.30314258    -11.64048707
  O     15.25658706      5.68096553    -16.88987121
  H     11.81300016      9.99252561    -15.34165740
  H     16.58953642      4.55557092    -12.37766757
  O     16.48981790      8.64023991    -15.66519386
  H     12.29113248     10.84542337    -16.53330065
  H     12.81148460      5.44932700    -13.91428393
  O     14.02445321      8.15110607    -16.90038128
  H     12.70022260      8.70868959    -13.84497124
  H     11.34164964      4.97351140    -13.82395254
  O     17.94409676      6.28701050    -15.90093833
  H     11.99986709      7.43904888    -14.35225357
  H     17.44127311      8.09988042    -11.07587214
  O     16.83600302     11.20479109    -14.72229354
  H     14.14712620     12.21700389    -13.25633988
  H     18.25100679      8.78030373    -12.21450023
  O     15.52458302      7.66462868    -13.33683960
  H     15.50015123     11.48715915    -13.44518414
  H     17.96090622      5.61255907    -14.04347540
  O     13.48874446      5.66352451    -11.07775934
  H     14.63320991     11.93991520    -16.94045245
  H     18.08798806      6.24274842    -12.63858823
  O     15.78333327      4.11365148    -12.05467650
  H     14.36840411     12.85632155    -15.73504889
  H     13.42839705     10.63336391    -18.85931449
  O     11.92892016      5.68397810    -13.57695500
  H     16.20894222      5.74778057    -16.75923597
  H     13.77197023      9.72465336    -17.65775818
  O     17.89280436      7.93505484    -11.92048089
  H     14.92247418      5.37805533    -16.03322643
  H     15.47423255      8.44507596     -9.70817322
  O     17.93814640      5.40618873    -13.10229727
  H     15.71742979      8.57697263    -16.24082380
  H     16.45525239      9.61274068     -9.96355339
  O     13.59355782     10.64400610    -17.91978861
  H     16.17977525      8.31981965    -14.80188965
  H     12.45909714     12.24883816    -14.82953043
  O     16.40963217      8.66253201     -9.77580838
  H     14.36982396      7.25467820    -17.02280673
  H     12.31698225     13.70475018    -14.32359926
  O     12.94179144     12.99210174    -14.42538758
  H     13.44622421      8.14701558    -16.12447409
  H     13.93589797     10.15178315    -12.41363510
  O     13.51136419      9.28391758    -12.36137577
  H     17.54849474      7.17296936    -15.86141398
  H     13.47409061      9.00418805    -11.43823768
          69
 Energy    -247.98436421287192     
  O     -1.42875207     -2.30536910     -1.48773343
  H     -1.57907655     -2.23491532     -2.42639343
  H      0.06468447     -6.44864473      1.96996135
  O     -3.02485731     -0.42544862      6.62259966
  H     -2.22300647     -2.72142278     -1.10525798
  H      2.90701629     -3.32617808      4.36412178
  O      1.74083731     -0.24776982      1.59044467
  H     -2.28551185     -1.04380881      6.57516539
  H      1.88233574     -2.19941171      4.63427731
  O     -2.09007760     -0.25465505      2.58461005
  H     -3.82148601     -0.96524563      6.71336338
  H     -0.12406143     -4.34821648      3.04057794
  O      0.80809551     -4.58014479      6.27238754
  H      0.95106669     -0.20023079      1.01999416
  H     -1.58979429     -3.85992549      2.88117439
  O     -5.29075961     -2.14686197      6.50059776
  H      2.22087552      0.56666884      1.46784823
  H     -3.31765600     -5.11044133      2.40248665
  O     -0.98421939     -2.35814247      6.07358772
  H     -1.31941268     -0.56034694      3.07607292
  H     -3.69376332     -3.63379015      2.74646407
  O     -5.66497532     -0.84986257      3.98298593
  H     -2.59516317      0.31311396      3.18282941
  H      4.25721860     -4.89095230      2.82072101
  O     -0.56864363     -0.19857955      0.22177331
  H      1.12456653     -4.92878404      7.10215653
  H      3.18109002     -3.93743037      2.24521449
  O      0.91283182     -5.70064959      3.61995608
  H      1.48673282     -3.96135331      5.94579630
  H     -4.84148480     -1.71350862      2.62616905
  O     -3.06282422     -6.11958429      0.87098143
  H     -5.88698075     -2.51123022      7.14862484
  H     -3.39930989     -1.48341189      2.13574906
  O     -0.36562406     -6.49086561      1.10837881
  H     -4.66285749     -2.85464020      6.26574177
  H      1.87554214     -3.26796955      0.56762041
  O      2.47984728     -2.81914617      5.06765883
  H     -0.43547620     -3.12966957      6.26279237
  H      2.43743981     -1.96151187      1.16955358
  O     -0.66896237     -3.61084484      2.73129222
  H     -0.54690459     -1.89705878      5.34696686
  H      0.00303944     -2.15378860      3.34800718
  O     -3.28843724     -4.44171423      3.09721777
  H     -5.09701265     -0.08057342      4.11039962
  H      0.86868186     -0.88113512      3.08206611
  O      3.39754965     -4.51914845      2.99716587
  H     -5.65583907     -1.31677959      4.82845960
  H     -0.16513572     -3.72321457      0.97679320
  O     -4.16382749     -2.06581356      2.03134771
  H     -0.88361000     -0.86825726     -0.39670898
  H     -0.27426834     -3.41186886     -0.53821486
  O      2.64720249     -2.88908685      1.01181588
  H     -1.22662405     -0.13364945      0.92706421
  H     -3.70971741      2.03523719      4.74316646
  O      0.33201282     -1.32956097      3.74928143
  H      0.79522804     -5.51581880      4.56027485
  H     -3.34864443      0.62923233      5.28205039
  O      0.22696364     -3.91843835      0.11163105
  H      1.80562111     -5.40398805      3.39230455
  H     -2.54911776     -3.40194657      5.89536647
  O     -3.58910571      1.12715060      4.47957961
  H     -2.11226886     -6.31422173      0.94277778
  H     -3.38743219     -4.22127942      4.89541162
  O     -3.36947306     -3.90305860      5.80838668
  H     -3.48818246     -6.92766011      0.59626536
  H     -3.39718558     -4.40557920      0.03226007
  O     -3.51344500     -3.50487265     -0.29122612
  H     -0.04964717     -5.72006000      0.61552430
  H     -3.86992328     -2.98664421      0.44351260
          69
 Energy    -247.98428689270202     
  O     12.98972730     12.52166308    -14.92299175
  H     13.71594950     13.09352428    -15.19538723
  H     18.48775414     11.44318184    -14.62961025
  O     18.19180325      6.90631977    -13.59963357
  H     12.97418975     11.81840484    -15.58457557
  H     17.19609921      9.00442753    -19.61232948
  O     18.69565297     11.43942700    -11.04231207
  H     18.20215175      7.23733461    -14.50518172
  H     16.03168644      8.76969559    -18.62090314
  O     16.68480409     13.92000962    -13.52963675
  H     17.37226277      6.40441141    -13.49929623
  H     15.73531863     10.92305205    -12.70418151
  O     15.63832977      5.68701493    -13.25484217
  H     18.91298775     11.93653251    -11.83850499
  H     16.65455726      9.65683262    -12.64022538
  O     14.62621305      7.33958820    -11.36178728
  H     18.63445388     10.51070750    -11.31223791
  H     14.47767727     10.83220161    -16.92237393
  O     12.46772546     12.01014392    -12.30664166
  H     16.20401815     13.94148667    -14.36542842
  H     13.67514113      9.91204496    -15.97265802
  O     14.48033012      8.11940664    -18.16916529
  H     16.11401867     13.47324580    -12.88962766
  H     17.52717491      8.52629722    -10.93018989
  O     16.29972711      8.66246158     -9.43182488
  H     15.44593509      4.79806631    -12.96850497
  H     18.16312768      8.11302167    -12.31056763
  O     17.79378060      8.23620044    -16.15143055
  H     15.25489981      6.28272885    -12.58601838
  H     12.51687180     10.05914736    -12.10549506
  O     15.37191179      6.82278501    -15.80548088
  H     13.88806831      7.93196550    -11.56775765
  H     12.94958776      8.96600011    -13.08445067
  O     17.90754545     10.80698266    -15.06158896
  H     15.12263626      7.76601587    -10.65654591
  H     15.46593079     12.10782467    -10.87678361
  O     16.90721606      9.18551879    -18.72213758
  H     11.64815869     12.43825224    -12.07337207
  H     14.20196956     12.26781695    -11.80084644
  O     16.04204164     10.15301771    -13.19943112
  H     12.61079117     12.18422584    -13.25496774
  H     18.28318163     13.28125951    -13.51658438
  O     13.59841308     10.46211819    -16.77022161
  H     13.98075929      8.86396145    -17.80970587
  H     19.81508646     13.47034151    -13.65845205
  O     18.00854739      8.84907079    -11.69987080
  H     14.64434991      7.52021131    -17.42845543
  H     16.67194531     12.05528198     -8.68983593
  O     12.64465948      9.10778634    -12.17568143
  H     16.30708738      9.63062626     -9.38336282
  H     17.34846491     11.52943353     -9.98072830
  O     15.16276594     12.36698074    -11.75449745
  H     16.43006519      8.34377599     -8.54139733
  H     16.49346517     10.82993873    -17.84105340
  O     19.13960784     12.81417805    -13.51090938
  H     17.94667906      9.09258188    -15.72701672
  H     16.86262892     11.30217315    -16.42558845
  O     16.53995399     11.47556302     -9.43555332
  H     17.64414231      8.44291160    -17.08184512
  H     15.22767004     14.52551487    -16.66351810
  O     16.26454374     11.48118832    -17.16745556
  H     16.22225345      7.27748938    -15.89562552
  H     15.65314790     13.05033535    -16.51093962
  O     15.30983576     13.81892855    -16.02689362
  H     15.41832512      6.30172020    -14.99334823
  H     14.40092629      8.12401859    -14.98222247
  O     14.01493072      8.90736100    -14.57161334
  H     17.20973028     10.60106731    -14.41933420
  H     14.72194939      9.33263199    -14.06215137
          69
 Energy    -247.98426429767153     
  O     14.83538149      4.90120126    -16.00581016
  H     14.68110166      5.85854684    -16.00153032
  H     17.74788043      6.28598362    -13.71696300
  O     19.05605100      6.24480251    -10.79134429
  H     14.75420537      4.62841271    -16.91653303
  H     17.84282559     10.69768582    -15.66462044
  O     14.77410499     11.24553373     -9.43281171
  H     19.86124895      5.75748443    -10.63766655
  H     17.14363039     11.88184834    -14.97450989
  O     19.08985829      9.36066206    -15.17581126
  H     18.72016898      5.96294463    -11.66095101
  H     15.61507308     10.66102734    -16.33502058
  O     15.83003543      3.82871306    -13.67112218
  H     14.87970769     11.38262309    -10.38877163
  H     14.52358322     10.76015668    -17.42534158
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  O     16.70111567      5.69681227     -9.24535351
  H     19.76457158      8.86972430    -15.63720644
  H     15.88503820      9.82345088    -12.18266732
  O     13.95330333      7.53091382    -11.52513779
  H     18.37257757      8.73397022    -14.97711773
  H     16.64686698      8.97728446     -8.13654223
  O     19.22848155     10.83913153    -12.71969604
  H     15.75251426      2.87918573    -13.72839647
  H     16.34181773     10.31933414     -8.82291878
  O     15.67449730      7.49045518     -7.53695084
  H     15.46278067      4.18701674    -14.49556931
  H     15.14953278      4.55042326    -12.02395723
  O     14.47626000      7.63792501    -15.78891407
  H     14.21865195      8.21846509     -8.48420876
  H     14.47670231      5.75508340    -11.32622237
  O     18.06231115      5.52744625    -13.20803448
  H     13.89601814      9.56231292     -9.16209350
  H     18.08724794     12.08596622    -13.02434088
  O     17.10110413     11.30951609    -15.74984505
  H     16.07127114      5.33442572     -9.88612601
  H     17.77389726     13.59410742    -13.18274179
  O     14.75998365     10.29628199    -16.62648240
  H     17.51982901      5.85612501     -9.72599273
  H     18.82117638      8.08014835    -10.65955919
  O     16.23835615      8.92517567    -12.16926793
  H     13.69851424      7.86528332    -10.65257211
  H     18.14800283      9.27140358     -9.88406922
  O     17.06479409      9.73338763     -8.56911819
  H     14.80776788      7.93651765    -11.73109621
  H     14.50867229     11.32057915    -12.82167151
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  H     19.31406173     10.29771005    -13.51336609
  H     15.88776069     12.01272558    -12.52713952
  O     17.39741558     12.72447546    -13.28577328
  H     19.10291656     10.22997568    -11.97860339
  H     13.01488075      7.81134796    -12.94046436
  O     18.58306013      9.01383168    -10.71249448
  H     16.04279306      6.81594237     -8.13722990
  H     11.67271425      7.70324223    -13.70185068
  O     15.16661907     11.50523903    -12.13364396
  H     15.64640145      7.09704660     -6.66952408
  H     13.04108252      9.87057110    -13.94423289
  O     12.56768246      8.02262797    -13.77939352
  H     13.79566626      7.72060910    -15.10574787
  H     13.84384668     10.66805148    -14.98459744
  O     13.45003886     10.72934574    -14.10626545
  H     14.56784497      8.51073234    -16.19301316
  H     16.17514158      7.65800775    -15.01440825
  O     16.98429895      7.77290225    -14.50488347
  H     17.38043412      4.85342026    -13.31364275
  H     16.72302530      8.20198480    -13.67398823
          69
 Energy    -247.98424839453295     
  O      1.31171372      1.04941337      4.66571877
  H      0.82056667      1.87911668      4.71058555
  H     -3.57213291      2.97194004      0.30771393
  O      1.14740386      0.00937465     -2.87917377
  H      0.74159371      0.37671806      5.05519287
  H     -3.93258806     -0.16972431      4.46187664
  O     -0.46058905     -1.13135855      5.43964603
  H      0.31731982      0.22758612     -2.43590053
  H     -2.52965538     -0.00399651      3.87301457
  O     -0.96190913      0.55667505     -1.03877273
  H      1.37546536     -0.87786305     -2.57412260
  H     -0.13960890      2.83117995      1.39424781
  O      1.85955936     -2.39365447     -1.47118745
  H     -1.39266302     -0.88503203      5.32341332
  H     -0.57790839      3.28912179      2.82888206
  O      3.46049821     -0.69545937     -0.08143429
  H     -0.41840988     -1.67787086      6.22114688
  H     -2.57351360      1.30438321     -1.15202461
  O     -4.85711787      3.24972402      3.45754991
  H     -0.92971546     -0.35198397     -0.70793737
  H     -3.75476538      1.78362487     -2.02601433
  O     -2.78496710     -2.93892063      3.15760951
  H     -0.31601108      1.06151316     -0.52599950
  H     -2.66895211      0.32583009      1.79062399
  O     -0.25818524      3.42336415      4.65403889
  H      2.34158935     -3.16235637     -1.76425517
  H     -1.56646607      1.37216884      2.18080315
  O      2.94821145      1.65405598     -1.66628712
  H      2.47997330     -1.85083910     -0.95225943
  H      0.23525062     -2.28905940     -0.59225747
  O     -5.33249428      0.42231877      3.51387928
  H      3.12382976     -0.46768023      0.79547532
  H     -0.35759026     -2.08566204      0.82812114
  O     -3.51065043      3.49340893      1.11541934
  H      3.46973683      0.12748712     -0.58541582
  H      1.36223812     -0.66634115      2.25791848
  O     -2.99620895     -0.32231570      4.66356841
  H     -5.50268251      3.94888322      3.51816115
  H      1.94417368      0.48471630      3.08160969
  O     -0.89711194      3.07757706      1.94274513
  H     -4.42224633      3.34566538      2.59163100
  H     -3.47601888      2.85321193      4.64725629
  O     -3.46714958      1.68621275     -1.12178206
  H     -1.85704565     -2.73289908      2.99664477
  H     -2.85784341      1.57206243      5.22874253
  O     -1.85008336      0.45745859      2.28960407
  H     -3.09404617     -2.23008234      3.73007789
  H      1.72971625      1.99833107     -0.29094960
  O     -0.57309545     -2.06474923     -0.11267087
  H     -0.06246686      4.20392007      5.16560265
  H      1.40151374      1.28209602      1.04518774
  O      2.01273821      0.04473652      2.22084282
  H     -1.15414206      3.13561155      4.90749653
  H     -0.76383775     -0.89597698      2.44870898
  O     -2.74652822      2.52746471      5.19175624
  H      3.46130013      2.18445419     -2.26940295
  H     -0.10040671     -1.64762144      3.62348278
  O      1.05847536      1.91437725      0.39674821
  H      2.34536548      1.11192532     -2.20627870
  H     -3.28107803     -2.86098032      1.33749322
  O     -0.20165350     -1.66293073      2.66334421
  H     -5.10870273      0.19194543      2.60077706
  H     -2.44867331     -2.53936120      0.07899053
  O     -3.35221055     -2.57891801      0.41421113
  H     -5.31801004      1.38710202      3.53893378
  H     -4.15240883      0.50894423      0.18456474
  O     -4.23435591     -0.05895516      0.95873540
  H     -2.57490947      3.48641527      1.36342901
  H     -4.02705007     -0.96676435      0.68604596
          69
 Energy    -247.98385538805883     
  O      9.36030715    -11.34420670     -1.65438913
  H      8.53547050    -11.66265807     -2.05293843
  H      6.66607920     -9.96893304      3.41158601
  O      5.17933065     -8.95796275      2.66595738
  H      9.61856416    -10.55501572     -2.14523186
  H      5.61369279     -9.78729859     -1.00126387
  O      7.95148400    -15.38550510     -0.58047497
  H      4.59275350     -8.36682057      3.13021602
  H      5.13081361     -9.60383238     -2.46174106
  O      7.61462795     -7.59210749     -2.02740101
  H      4.68823692     -9.78423344      2.51123307
  H      6.24821976     -9.01490112     -4.27172464
  O      4.69688846    -15.37289039      2.05839734
  H      8.79957892    -14.93393131     -0.71120285
  H      5.07028057     -8.05158697     -4.56285174
  O      6.56430081    -13.20945729      4.31148515
  H      7.77711955    -15.35408862      0.36365520
  H      9.00133400     -8.42361249     -2.70047468
  O      6.64676151     -8.92535931      0.27403300
  H      7.30031111     -7.90994324     -1.17112936
  H     10.40182996     -8.39519027     -3.36012645
  O      7.55559853    -10.10314199     -4.70073267
  H      6.87748554     -7.70968406     -2.63965449
  H      4.83763698    -14.46824846     -1.29934903
  O      6.24480675    -12.65902696      0.84601224
  H      5.65227855    -15.45892647      2.12618762
  H      3.80873063    -13.47723496     -0.63427567
  O     10.27034338    -13.88086144     -0.74020492
  H      4.51251324    -15.09448790      1.14875597
  H      7.24321241    -14.25955144      3.09928299
  O      6.20678066    -14.77586879     -2.53653246
  H      6.81824660    -12.28929648      4.15075454
  H      8.49228584    -14.32731315      2.20137994
  O      7.36486476    -10.61606709      3.56539120
  H      5.60129758    -13.24011209      4.31868898
  H      9.51049701    -12.33833138      1.69734465
  O      5.13866045    -10.22386698     -1.72110412
  H      6.12939449     -8.78836781      1.07777605
  H     10.48828370    -12.84267507      2.77879943
  O      5.57531181     -8.44512414     -3.85692473
  H      7.34481308     -9.55279302      0.49932070
  H      3.73868231    -11.22180868     -1.02688291
  O      9.68619866     -8.97651924     -3.11790444
  H      8.37378399     -9.75004098     -4.33029373
  H      3.23966657    -11.58801404      0.38245910
  O      4.37249304    -14.25158268     -0.48283865
  H      7.36371653    -10.90395305     -4.19304034
  H      4.00704429    -14.26031647      3.22907978
  O      7.59086448    -14.66267415      2.28395164
  H      6.66051639    -13.33354691      1.40039600
  H      3.08641262    -13.96012212      4.43472829
  O      9.97837469    -13.12281634      2.02149469
  H      5.63871451    -13.13444050      0.26405303
  H      3.82144352    -12.05770677      2.78160527
  O      3.14105120    -11.81466628     -0.55022813
  H     10.09801014    -13.02435489     -1.15275049
  H      4.89642991    -11.77532542      1.71606030
  O      3.72979887    -13.56500664      3.85283818
  H     10.40285678    -13.69711977      0.19720639
  H      7.61825238    -11.60444290      0.82317637
  O      4.10778284    -11.39937498      2.13581053
  H      6.84300970    -15.04667597     -1.84803245
  H      8.84874831    -11.08433761      0.02092419
  O      8.41841358    -11.05443376      0.88883316
  H      6.22103334    -15.45170727     -3.20875908
  H      6.26331335    -11.53532462     -2.37479795
  O      6.95096836    -12.07890870     -2.78400592
  H      7.86038053    -10.65461742      2.74016276
  H      6.66542230    -12.99958306     -2.75874070
          69
 Energy    -247.98379605412322     
  O     14.11047753      6.26748514    -14.01944836
  H     14.05774665      6.46084767    -14.96747390
  H     18.55334730      4.89620169    -12.80462573
  O     16.61485020      6.37846399    -10.27413017
  H     13.40927687      6.75244705    -13.56458557
  H     17.52397421     10.60493893    -14.61860966
  O     18.84511624      8.14243305    -13.27540385
  H     16.02853220      6.10800458     -9.55614303
  H     18.51048324      9.97783198    -13.61267492
  O     13.64919766      9.93966842    -16.55845503
  H     16.46072456      7.32096460    -10.43112738
  H     15.43325288      7.45824175    -13.76354201
  O     12.57393735      7.25295299     -8.85444122
  H     19.10130722      7.51844273    -12.58618696
  H     16.08207930      8.75454261    -14.33361977
  O     12.26879736      7.72890112    -12.50121098
  H     17.88776641      8.02980891    -13.38616482
  H     14.78499702     11.74765785    -11.97738834
  O     16.08872781      8.99322951    -11.00312655
  H     13.08327468     10.41669798    -17.15887152
  H     13.52821538     12.64274536    -11.99497252
  O     16.98263218      7.47749246    -17.31380966
  H     13.23788523      9.99736538    -15.67702405
  H     14.12094841      4.13201265    -11.16854468
  O     11.26207780      5.68269520    -10.87432480
  H     11.99570804      6.76504038     -9.45412467
  H     13.88117783      4.47092571     -9.68871793
  O     18.58855347      6.36381426    -15.48344601
  H     12.78778628      8.08072777     -9.30471556
  H     12.38894077      9.23978922    -13.61265532
  O     14.23284893      7.11983727    -16.61174425
  H     12.67554995      8.26665918    -11.80752931
  H     13.04361420     10.62901566    -13.41349395
  O     18.07345707      4.46844664    -13.52309298
  H     11.79976850      7.01992729    -12.04272180
  H     19.77802078      5.77383959    -10.68736811
  O     18.03847669     10.79542922    -13.82253132
  H     16.03694543      8.69704571    -11.92820169
  H     18.28827923      6.13674901    -10.87471026
  O     16.06297061      8.16337294    -13.57092781
  H     16.40089991      9.90300657    -11.04130761
  H     15.00824899      5.15112159    -12.95269765
  O     13.81744124     11.73406991    -12.04253190
  H     17.35795905      7.32596608    -18.17674049
  H     15.87955989      5.28329338    -11.66497959
  O     13.44527499      4.12655730    -10.47670536
  H     17.56011889      7.01948660    -16.67566014
  H     14.73366876      5.40741868     -7.43579593
  O     12.63693236     10.05309185    -14.07070587
  H     12.01080541      5.06516486    -10.78614286
  H     13.95144031      6.25310840     -8.46831329
  O     19.14297152      6.07464243    -11.33257357
  H     10.46816490      5.15527405    -10.86336762
  H     14.34896948      9.14462356    -10.58351425
  O     15.51231822      4.64850417    -12.29426849
  H     18.37807139      5.59406574    -14.93549179
  H     13.33262992     10.24656746    -10.89224085
  O     14.70194609      5.64174989     -8.35950995
  H     18.89895177      7.03196202    -14.86159710
  H     17.12439701     11.41484515    -12.50464965
  O     13.40744888      9.36342673    -10.51498766
  H     15.15198682      7.12059156    -16.90848178
  H     17.14876028     12.34129036    -11.26843425
  O     16.61142088     11.70009185    -11.72615535
  H     13.94034281      8.03693997    -16.67505323
  H     15.45241230      9.98142667    -16.12944360
  O     16.35827149      9.79183380    -15.85262920
  H     17.17197963      4.35972115    -13.19456247
  H     16.66632703      9.06688662    -16.41460342
          69
 Energy    -247.98374626050918     
  O     13.62168177     12.49996328    -12.69810866
  H     13.32579350     12.36510361    -11.78831046
  H     17.65948713     13.98669647    -15.75311156
  O     20.51731121      7.08930020    -12.34078936
  H     12.95794761     12.06717744    -13.25088904
  H     12.93316211     10.38463241    -15.25504308
  O     18.18346502     10.80717665    -11.97557824
  H     21.37015542      6.78350707    -12.04424208
  H     14.16529038      9.48139216    -15.44358219
  O     12.30348283      9.29482847    -11.64834387
  H     20.68061388      7.72231489    -13.06308686
  H     15.45200019      9.75146191    -13.25980833
  O     16.32378134      6.74115161    -12.57271412
  H     17.27552231     10.69456247    -12.30313218
  H     14.92383052     11.13416725    -12.77136800
  O     14.11434825      7.19059630    -10.82773209
  H     18.15552894     11.57097498    -11.38845279
  H     16.91044410      8.19343628     -9.78241761
  O     18.57409428      5.78964099    -14.01263876
  H     12.45401377     10.00030298    -11.00724838
  H     15.92457713      9.26979937     -9.28958104
  O     17.64971735      9.27880451    -16.07824225
  H     12.92784660      8.59102881    -11.43786715
  H     20.40431678      9.61169585    -14.53818519
  O     18.25104582      8.16862126    -11.10456632
  H     16.97807702      7.25229247    -12.07341827
  H     20.43389624      8.21590245    -15.19936097
  O     15.97974043     11.50675377    -16.60343509
  H     15.51419328      6.75662505    -12.04852324
  H     15.23958368     13.49322921    -12.78571966
  O     19.34157082      7.06136934    -16.28449282
  H     13.68313432      6.48580939    -10.34952948
  H     16.58371812     13.61342464    -13.55023110
  O     17.44676100     13.24859646    -15.18743236
  H     14.77524884      7.57269345    -10.22301833
  H     17.85244723     13.79769867    -10.03049300
  O     13.66535406     10.20115026    -15.85330299
  H     17.72600903      5.95131546    -13.58035420
  H     16.97464170     13.37885817    -11.23725322
  O     15.54854192     10.42574948    -12.57560026
  H     19.25016082      6.07913816    -13.38693540
  H     13.82974611     11.44093193     -9.83986958
  O     16.07446069      8.31607549     -9.31214345
  H     18.19436833      8.51159059    -16.29059979
  H     12.49605719     11.99046371     -9.27918755
  O     20.81188510      8.73866277    -14.48052630
  H     18.19483873      9.86857215    -15.53841554
  H     18.92692761     10.95781051    -13.59641028
  O     16.15629316     13.78443645    -12.70135461
  H     19.07405187      7.76214679    -11.40308706
  H     18.72179079     11.87676542    -14.81133542
  O     17.42438983     13.04951589    -10.43612872
  H     18.29505705      9.09922057    -11.36557619
  H     10.78403584     10.76465072    -14.00839647
  O     12.90211423     11.62929227    -10.06271927
  H     16.54014034     10.72218107    -16.65243707
  H     11.89903995     10.15928914    -13.12368711
  O     19.16342547     11.06632223    -14.52958745
  H     15.09076073     11.17715424    -16.40801228
  H     15.52753680     10.68092338    -10.77646378
  O     11.72604568     10.77080692    -13.86152127
  H     19.56794438      6.43876721    -16.96962716
  H     16.19069912     11.74553647     -9.87531046
  O     15.54643049     11.02685659     -9.86895209
  H     19.02230394      6.54236717    -15.52430845
  H     15.74428093      7.78024281    -13.95825268
  O     15.47235205      8.49387218    -14.54859618
  H     16.85750767     12.66675176    -15.70312740
  H     16.23350487      8.71711900    -15.10410617
          69
 Energy    -247.98353211288006     
  O     15.29233545     12.62189546    -14.64011936
  H     16.21636635     12.36919529    -14.55082630
  H     12.62857429      7.90656648    -16.59709151
  O     14.09724560      6.90140829    -14.01713708
  H     14.96169488     12.14654728    -15.41720150
  H     17.33959734      5.30595024    -15.04238400
  O     17.73151923      7.89113975    -11.36791344
  H     14.69330281      6.44165511    -13.41433586
  H     17.89797593      3.99791251    -14.43787923
  O     18.13172159      9.01968558    -15.66887502
  H     14.59025308      7.67730023    -14.33119670
  H     16.36401170      8.93691778    -15.11413731
  O     11.89811505      9.63979663    -16.46826992
  H     17.83358343      7.96158354    -10.40865118
  H     15.05107668      9.73847086    -15.32231705
  O     14.95619025      8.67634822     -8.88473348
  H     17.30633893      8.70690284    -11.66748062
  H     14.05376356     12.51428874    -13.41765952
  O     12.70794748      8.19362387    -12.00619532
  H     18.18295290      9.91589609    -15.31242757
  H     12.95240344     13.28293792    -12.65336414
  O     16.41875543     10.10781740    -12.36594499
  H     18.54580672      8.44070983    -15.00559900
  H     12.28720352     10.98406091    -13.49602686
  O     15.21787858      6.95218477    -18.30170245
  H     11.05702570      9.86710931    -16.85589514
  H     11.95502201      9.51350812    -13.15728549
  O     13.95635515      6.33949470    -10.23851402
  H     11.82934209      9.83495935    -15.51587678
  H     18.69367862      6.40526458    -13.89752347
  O     17.23085572      6.32760389    -16.45168801
  H     14.64565800      9.39360733     -9.45137014
  H     18.72400701      7.53475899    -12.86265457
  O     13.10488374      7.06791808    -16.63279165
  H     14.59131444      7.86471826     -9.25841028
  H     16.55592471      6.59179479    -11.81894137
  O     17.51475317      4.83969030    -14.20525905
  H     12.89652548      7.58232394    -11.28496423
  H     16.44984455      5.39135577    -12.78247254
  O     15.48949263      9.10513695    -14.74056322
  H     13.10387083      7.77470343    -12.78538969
  H     17.96800017      8.41518833     -7.77881655
  O     13.32394127     12.41388637    -12.78127118
  H     15.68844593     10.28928116    -11.76184920
  H     16.69647695      8.42978243     -8.64695647
  O     11.83530215     10.19820494    -13.82646247
  H     16.01732511      9.74527229    -13.17135325
  H     15.99767340      8.65801688    -18.19166348
  O     19.02098619      7.29983521    -13.75332988
  H     14.96478297      6.49808702    -19.10068322
  H     17.10733846      9.40830774    -17.42256948
  O     15.95265370      5.89881940    -12.12799871
  H     14.43153861      6.97423616    -17.72708986
  H     13.77890867     11.19484659    -11.44667889
  O     17.64936571      8.23442931     -8.65829288
  H     14.65769186      6.10136883    -10.86689944
  H     13.57487352      9.66561933    -11.31598391
  O     16.35316102      9.53805764    -18.00630537
  H     13.69348273      5.53061118     -9.80576728
  H     17.50821078     11.05917077    -13.42836476
  O     14.06125809     10.41790813    -10.94739346
  H     17.65459742      7.18587586    -16.35019596
  H     18.68476866     11.98120618    -13.82101226
  O     17.96159172     11.47373996    -14.18263095
  H     16.53393591      6.44929669    -17.10860666
  H     13.54380052     10.50591077    -16.72852528
  O     14.41654791     10.89898915    -16.60942583
  H     13.34659146      6.85243596    -15.72198410
  H     15.03529126     10.49223791    -17.23518319
          69
 Energy    -247.98343241069514     
  O     12.94255168     11.56450480    -16.28510626
  H     12.22885055     12.09068766    -16.63403420
  H     17.65225053      5.23672424    -11.58834242
  O     14.86218009      7.08658916    -12.72789608
  H     12.73319371     11.39246106    -15.34780407
  H     18.10808545     10.94006146    -18.20941120
  O     18.34542459     12.50537117    -12.11799506
  H     15.17239160      7.80600951    -13.30591499
  H     16.96812876     11.00447018    -17.16814862
  O     18.28715154      9.03596255    -15.19144357
  H     15.64987219      6.64359090    -12.38591905
  H     15.74689901     10.04537058    -14.08469411
  O     12.04702119      6.92327381    -15.87325925
  H     18.83654135     13.31053920    -11.97923307
  H     15.02813588      9.10986717    -15.11511238
  O     15.06775683     11.08063703     -8.76985387
  H     18.13998758     12.14486588    -11.23656481
  H     12.87453400     11.27881301    -12.95147010
  O     16.07027884     11.79251807    -13.58205027
  H     18.26185720      9.50120839    -16.03478717
  H     12.29790930      9.98544962    -13.56556499
  O     18.16452158      6.33215977    -14.48996664
  H     17.36452441      8.98736260    -14.89755753
  H     18.43451476      9.08311904    -11.57392718
  O     15.12782477      9.11312432    -10.75903130
  H     12.77986620      6.32932974    -15.62551329
  H     17.77731244      7.75238838    -11.13313302
  O     16.51568136      5.61299653    -16.67741740
  H     11.38100893      6.38461634    -16.29049557
  H     13.03036965      7.71953868    -13.01411194
  O     14.20016871      5.52291726    -15.05419797
  H     14.99274550     10.28542108     -9.32228805
  H     12.00611821      7.75270782    -14.15293642
  O     17.35332028      6.07158983    -11.93812484
  H     14.68193367     10.85598830     -7.92638041
  H     19.10155170      9.66941196    -13.67722304
  O     17.63938246     10.41939528    -17.56297737
  H     16.88974928     12.05668058    -13.14479758
  H     19.17233636     10.85731195    -12.68429827
  O     15.63413229      9.12643042    -14.36220100
  H     15.36860592     11.88162485    -12.92440655
  H     16.88558051     11.33492421     -9.31956395
  O     12.41768083     10.93303718    -13.72565484
  H     18.40302865      7.23199937    -14.74945174
  H     17.89562251     10.35827972     -9.96223866
  O     17.85112984      8.68609516    -10.90685814
  H     17.63865565      5.98784924    -15.22213275
  H     16.70441286      8.77852009    -17.86697631
  O     12.24235029      8.18147892    -13.32064765
  H     14.80056306      8.37598464    -11.28316128
  H     15.27648687      8.33278223    -17.51550149
  O     19.38358187      9.92238703    -12.78739094
  H     16.09445189      9.05697324    -10.81560193
  H     14.22205760     11.97793380    -10.69768236
  O     17.74156988     11.29129282     -9.76196532
  H     16.41353140      6.47109625    -17.12748022
  H     14.44689450     10.67205668    -11.44237674
  O     16.12161148      8.01097431    -17.86084394
  H     16.74037156      4.97663862    -17.35118860
  H     14.81909628     11.93971074    -16.44517789
  O     14.15000880     11.58721033    -11.57040486
  H     14.45998096      5.92689032    -14.21797310
  H     15.93739437     12.05759240    -15.40227622
  O     15.77700515     11.99877413    -16.35425760
  H     14.99133968      5.50219956    -15.60783825
  H     13.46705093      9.83170912    -16.57630341
  O     13.86343933      8.95144602    -16.55703287
  H     17.70119644      6.13749732    -12.84714928
  H     13.16338999      8.31059466    -16.38025962
          69
 Energy    -247.98342877250451     
  O     11.80694565     10.66105901    -14.71253196
  H     11.57359765     10.30001131    -13.84857123
  H     15.89172688     12.23956163    -16.04091916
  O     15.77630737      6.90125436    -13.19384850
  H     12.23261351     11.51290140    -14.55863270
  H     15.45234586      8.49878528    -14.03378400
  O     17.01262727     10.65247060    -11.20771632
  H     16.52017950      7.20325186    -12.65562094
  H     14.64269212      9.25293132    -15.13286449
  O     17.23290252     11.14871830    -15.36467925
  H     15.14145800      6.49990146    -12.59025053
  H     10.25671825      9.19291839    -12.03047128
  O     13.08770564      6.36828413    -15.77992744
  H     16.61419500     10.45911910    -10.35034834
  H     11.51625047      8.48112022    -12.57457344
  O     14.81808047     11.40168665    -12.69707744
  H     16.29037289     11.00265677    -11.75193534
  H     16.61763965      7.27426278    -10.25037478
  O     17.26221288      9.74709558    -17.76440289
  H     17.87733307     11.27633785    -14.66074195
  H     15.62676606      8.04964393     -9.36867489
  O     14.02047055      5.85534844    -11.25880849
  H     16.61385973     10.46999408    -15.05158655
  H     12.51103059      6.74037703    -13.97528226
  O     18.12089560      7.47060433    -16.57164768
  H     12.66271696      5.65913842    -16.25524234
  H     12.76378805      6.56705734    -12.45122677
  O     15.76824401      6.05117323    -15.79921964
  H     14.04782744      6.21704844    -15.85169579
  H     19.72548019     11.54766429    -12.82511729
  O     19.12296496      8.25710070    -13.96001078
  H     14.35062795     12.08920168    -13.18485738
  H     18.35193065     10.98807513    -12.40207257
  O     15.06664443     12.57634194    -16.41689509
  H     14.91271030     10.64974210    -13.30219110
  H     17.53021502      8.85096475    -11.46335923
  O     15.31895917      9.35815360    -14.45217037
  H     17.39718299     10.33201106    -17.00481767
  H     18.37945464      7.92567562    -12.36870456
  O     11.16916339      9.33824625    -12.26715282
  H     16.37595038      9.94718636    -18.08676376
  H     15.21032798     10.26331009     -8.15394828
  O     15.82029348      7.16948194     -9.71429670
  H     13.99061160      4.94989970    -10.95980018
  H     14.55818587     10.02067398     -9.53693303
  O     12.18467553      6.98386740    -13.10182107
  H     14.59273086      6.33269417    -10.63173921
  H     14.06486792      9.95849208    -17.67176776
  O     18.95943027     11.08272995    -13.15310751
  H     18.80133826      7.07714377    -17.11309797
  H     14.03380852     10.50615770    -19.11738632
  O     17.78831062      7.92996249    -11.59987658
  H     17.80787379      8.25722520    -17.05120118
  H     12.50251775      9.95558966    -11.07553801
  O     15.37038225      9.88456676     -9.01395397
  H     16.53605665      6.48884730    -16.18351368
  H     13.76897366     10.77291711    -11.35157040
  O     14.55470863     10.49572200    -18.31873707
  H     15.84534163      6.21276593    -14.84658530
  H     13.93944341     12.94001295    -15.16552488
  O     13.27607395     10.33385463    -10.64371906
  H     18.76848608      8.03147226    -14.82830494
  H     13.06501111     13.97143258    -14.41151399
  O     13.34561464     13.06077825    -14.40166838
  H     19.14732321      9.21881731    -13.90351314
  H     13.09799866      8.16167024    -16.22750745
  O     13.27664421      9.09909065    -16.36663113
  H     14.85520383     11.98511671    -17.14878741
  H     12.66806967      9.62121871    -15.81854696
          69
 Energy    -247.98337792473805     
  O     15.66441769     10.87044995    -10.49654595
  H     14.86091818     10.39898315    -10.76004824
  H     15.24635386      8.65217719     -7.64676430
  O     16.35406811      4.83594606     -7.50795726
  H     16.33552778     10.65582476    -11.15811830
  H     16.66477677      6.31591008    -14.12674383
  O     15.74897893     12.78237878     -8.58355018
  H     16.74610359      4.04480474     -7.14865090
  H     17.71497508      5.36079161    -14.72128622
  O     13.73686943      5.94503897     -7.26453597
  H     16.65031637      5.57598135     -6.94794339
  H     16.38324906      5.61232394     -9.22684214
  O     13.59830278      9.37818788    -11.49264302
  H     15.65054934     12.13611237     -9.30481782
  H     16.33512132      7.11486325     -9.59187955
  O     17.47488252      9.93907698    -12.37824932
  H     15.14735199     13.49861946     -8.76900096
  H     17.74127597     11.10230763     -6.18501240
  O     19.56063943     11.30008153    -11.10836654
  H     13.99040669      6.84680160     -7.03133623
  H     19.04250888     11.43454887     -5.41325736
  O     18.17607158      7.32227898    -11.75838066
  H     14.55929595      5.44609485     -7.33412772
  H     15.15183166     10.30173297    -14.65002008
  O     11.99490883      6.21423575     -9.30920022
  H     13.91906776      9.59303742    -12.37727287
  H     16.00140351      9.84337065    -13.44499395
  O     16.00119108     11.08951762     -6.30460097
  H     13.70622513      8.41885941    -11.40465356
  H     16.29125751      9.51812665     -9.42243085
  O     12.49318607      9.01409452     -8.83124712
  H     17.68326531      9.01421132    -12.17608060
  H     17.32236626      8.78978648     -8.48226795
  O     14.54393804      8.70124489     -6.97831442
  H     18.23063923     10.46348432    -12.08350714
  H     17.64652332     12.64351341     -8.76194902
  O     17.61611434      6.11462141    -14.14658978
  H     20.29441112     11.83923847    -11.39194057
  H     18.76190793     11.97683905     -7.94735145
  O     16.32068902      6.22076687     -9.97160922
  H     19.21473895     11.70485477    -10.29298651
  H     17.70607533      7.55329221     -6.48673511
  O     18.71324658     11.13057595     -6.25464082
  H     17.57986309      6.84738969    -11.16457589
  H     16.24329177      7.65103597     -5.99672726
  O     15.13330742      9.75141564    -13.87074492
  H     18.12214194      6.87470299    -12.61541166
  H     14.75698474      6.39896775    -10.86396685
  O     16.46325356      8.71538515     -8.91903751
  H     12.58836618      6.03038237     -8.55827188
  H     13.21027384      6.38096300    -10.71595521
  O     18.56302814     12.34770994     -8.81578626
  H     11.20560666      5.69812886     -9.17093766
  H     19.92025490      9.54610682    -10.35861523
  O     16.99076476      7.05192949     -6.06717349
  H     15.80058344     11.70280630     -7.02378282
  H     19.43734624      8.10436269    -10.59709242
  O     13.92876966      6.61993243    -11.31432703
  H     15.40480568     10.33953285     -6.41038755
  H     18.94667709      9.47543784     -7.05128339
  O     19.92295174      8.66231247     -9.97435565
  H     12.16876654      8.11473595     -8.96793468
  H     19.34851970      8.60059840     -8.29571978
  O     18.82480039      8.61905916     -7.47960024
  H     12.74148138      9.32155402     -9.71047923
  H     14.97727652      7.83107789    -14.01390710
  O     14.98633826      6.87037047    -13.93156931
  H     13.74224572      8.91216268     -7.48091674
  H     14.54300942      6.67248317    -13.09616259
          69
 Ord_Energy   -247.983353    
 O   -5.31282616      -6.23592901       5.26402998    
 H   -4.53041649      -5.84593868       5.67150116    
 H   -5.09138727      -6.37192011       4.33377171    
 O   -3.71623874      -1.47500181      -2.89486405E-02
 H   -3.04739475     -0.815180182     -0.263992876    
 H   -3.22685504      -2.22429085      0.341452032    
 O   -6.85553026      -2.14802837       5.97316504    
 H   -7.45921850      -1.91280401       6.67152500    
 H   -7.13310623      -3.02263641       5.63893175    
 O   -2.35679126      -3.42394352       1.34922493    
 H   -2.17580390      -4.36813354       1.41603982    
 H   -1.70471072      -2.96936893       1.90262568    
 O   -8.15418911      -2.30518627       1.19825852    
 H   -8.40924168      -3.15631008       1.57272995    
 H   -7.70658112      -1.84105420       1.91887188    
 O   -3.00567389      -4.89896154       6.38210964    
 H   -2.31728768      -4.83441925       5.69562435    
 H   -2.57809043      -5.22586060       7.16944504    
 O   -1.05194128       1.58856440       3.31132197    
 H   -1.55878294      0.947287738       3.82782531    
 H   -1.69785810       2.03069091       2.74505758    
 O   0.449911267      -1.03217000E-02   1.70078778    
 H    1.33269823      0.323536038       1.56439853    
 H    6.10810006E-04  0.618532956       2.29449058    
 O   -7.48670053      -4.53776407       4.95847273    
 H   -6.78334475      -5.18336582       5.12205601    
 H   -7.80251932      -4.68857718       4.06134176    
 O   -1.19201887      -4.65613985       4.38928032    
 H   -1.37979448      -5.21557426       3.62595105    
 H  -0.885236502      -3.81078124       4.03795385    
 O   -8.41492462      -4.99628925       2.26006937    
 H   -7.76953173      -5.30257702       1.60528767    
 H   -9.19040489      -5.54375935       2.15260267    
 O   -5.99592876      -3.17199373     -0.332577050    
 H   -5.27269554      -2.53579450     -0.344481617    
 H   -6.75332832      -2.74180222       9.16025490E-02
 O   -4.56499386      -3.35369349       3.08784533    
 H   -3.80391502      -3.27368093       2.49821711    
 H   -4.29198742      -3.08228922       3.97411680    
 O  -0.698613882      -2.14164209       3.13384676    
 H   -1.36894679      -1.59834743       3.57564950    
 H  -0.150671065      -1.52789962       2.62927365    
 O   -4.07432795      -2.41372538       5.69947672    
 H   -5.00927591      -2.31647205       5.92451334    
 H   -3.74925900      -3.23724985       6.08588266    
 O   -6.47513056      -5.71422195      0.342819571    
 H   -6.60739326      -6.21263933     -0.458667874    
 H   -6.24099302      -4.80601597       7.04732165E-02
 O   -3.10077453       2.37255931       1.50233817    
 H   -3.68807745       1.63720143       1.74932027    
 H   -3.66317797       3.11092162       1.28369784    
 O   -4.72482443      -6.02402925       2.50315833    
 H   -4.75300741      -5.09523773       2.78707743    
 H   -5.30388784      -6.07735729       1.73381126    
 O   -2.67956972     -0.538098395       4.21737003    
 H   -3.31108427     -0.334613293       3.51346922    
 H   -3.14056039      -1.09086442       4.86209345    
 O   -1.73760748      0.451441020     -0.173659965    
 H  -0.955396235      0.227249384      0.343819529    
 H   -2.12843084       1.21567023      0.267430335    
 O   -4.48669195       9.61768478E-02   2.13851571    
 H   -5.29347324     -0.257047057       2.53519225    
 H   -4.27262068     -0.461899042       1.37629533    
 O   -2.02775764      -6.13260698       2.07551789    
 H   -2.98483682      -6.21525192       2.22831440    
 H   -1.73030353      -6.96129560       1.70990372    
 O   -6.51173210      -1.38383448       3.26765966    
 H   -5.92184544      -2.13228369       3.08189106    
 H   -6.74671268      -1.46302450       4.19880915    
          69
 Energy    -247.98334175094152     
  O     12.89600012      6.94031217     -8.13361214
  H     12.21954830      6.63010272     -8.76170780
  H     12.80369666      8.50927176    -17.10309324
  O     13.12317279      5.83995058    -14.95265951
  H     12.49449579      6.92739324     -7.26875546
  H     16.29526102      8.44670228    -11.51129397
  O     16.99736128      6.91898472    -14.38398567
  H     13.28768440      6.57173115    -15.56321903
  H     15.15023195      8.13962852    -12.50339071
  O     15.87952493     10.70256620    -14.15606837
  H     13.93442082      5.33034342    -14.83264473
  H     13.75036788      6.37337592    -11.99601962
  O     10.70060729      5.48239963    -13.57157219
  H     16.74219588      7.47826795    -13.63659221
  H     13.43408210      6.80933596    -13.43573252
  O     17.53828569      4.33793214     -9.92450737
  H     16.82550652      7.44918857    -15.17350673
  H     11.16400339      5.22344416    -10.39975684
  O     11.43602334      3.76933224    -11.62539035
  H     16.38725442     11.45606254    -13.86672699
  H     10.69881536      6.67997660    -10.58679770
  O     16.61366229      7.94740382     -9.82785880
  H     15.98210344     10.01589796    -13.47422566
  H     18.44196935      6.15750940    -13.51942154
  O     13.12070318     10.09217386    -14.37692225
  H     11.46245600      5.60186638    -14.15535857
  H     18.62332923      4.80547806    -12.81354028
  O     17.49346834      3.26746298    -12.43549363
  H     10.51316528      6.33680614    -13.16442124
  H     14.54501855      4.54192925    -12.35418603
  O     16.16248038      8.74526734    -16.26762764
  H     18.14609275      5.08687491     -9.95258170
  H     13.22005447      4.21084227    -11.57634391
  O     13.33829152      8.24276995    -16.35916137
  H     16.72789961      4.67925372     -9.52464450
  H     16.16263408      4.01041292    -13.54122597
  O     16.00017972      8.59566827    -12.41866412
  H     11.11895186      4.31680946    -12.36708465
  H     16.01293648      5.41897321    -14.13886399
  O     13.65759155      7.14974118    -12.56090522
  H     10.95618877      2.94681619    -11.66089781
  H     20.00793471      6.88103706    -10.12052952
  O     11.08350753      6.07010545     -9.94578692
  H     17.52629781      7.64687921     -9.92732946
  H     19.11655916      6.41289535    -11.29351548
  O     19.00106815      5.69015962    -12.88375384
  H     16.10274463      7.15728357     -9.59840144
  H     10.86436180      8.49404261    -11.87192387
  O     14.08823051      4.62858434    -11.50656477
  H     14.01615025     10.44933200    -14.31058191
  H      9.33396616      8.34613173    -12.01626580
  O     15.51847047      4.60837451    -13.94283839
  H     12.79912641     10.00615478    -13.47146899
  H     14.41016126      6.01729176     -8.71022096
  O     19.10206749      6.71485830    -10.36755375
  H     17.45299873      3.58745608    -11.51648044
  H     14.77455566      5.22563591     -9.99219057
  O     10.14734871      7.84822859    -11.98661746
  H     17.83386265      2.37739459    -12.39824448
  H     13.58826440      8.54318673     -8.91881511
  O     15.15070358      5.64064315     -9.20038037
  H     16.15689142      9.51310096    -15.68219630
  H     14.91658975      9.04430738     -9.49722550
  O     13.98364749      9.26961045     -9.41801515
  H     15.23307349      8.54544082    -16.43397232
  H     12.80670186      8.56031225    -12.03807810
  O     12.40038006      9.37882408    -11.70575452
  H     13.19005174      8.90266819    -15.65786027
  H     12.87526399      9.55865500    -10.88326748
          69
 Energy    -247.98332046605088     
  O     15.73903134     12.68290732    -12.43430478
  H     14.82088102     12.83442959    -12.68593215
  H     13.15660775      6.61597952    -16.47328569
  O     14.48277220      6.81631217    -13.78645527
  H     15.73716703     11.82950534    -11.97739273
  H     18.36826237      6.31241014    -14.20506672
  O     16.61031655      7.96942207    -10.21488576
  H     13.59113833      7.10688274    -13.56079747
  H     19.29352369      5.31934261    -13.46640267
  O     18.32168564      9.77786574    -14.54075628
  H     14.96690048      7.62619890    -14.01161435
  H     15.17845155      9.94827122    -14.70775870
  O     14.64534009     11.59907273    -15.53884735
  H     16.46529100      7.19377134    -10.77713362
  H     16.57017732      9.32737502    -14.39565714
  O     12.21840323      8.64839582     -9.70601193
  H     15.97646109      7.89706207     -9.49040630
  H     13.55707909     12.23580780    -14.31397601
  O     11.95053799      7.96842312    -13.36445219
  H     18.53729666      9.50281002    -13.63430429
  H     12.51360196     13.29164327    -13.88054816
  O     15.42479794     10.04479716    -11.59498528
  H     18.11901780     10.72011866    -14.54575941
  H     14.12237477      6.09687029     -9.51642234
  O     15.99198051      7.35641443    -17.60147996
  H     14.52177897     10.99276918    -16.28645222
  H     14.69646766      5.39423823    -10.76184954
  O     11.50440481      6.27890116    -11.18523868
  H     15.56603939     11.88349747    -15.49489914
  H     11.90237415      8.08165039    -15.16923958
  O     18.09154876      7.23480773    -15.65954886
  H     11.83606359      7.87459489    -10.13761288
  H     11.05049728      8.18361100    -16.45012579
  O     13.93154605      6.04482234    -16.41183277
  H     12.28443241      9.32354580    -10.39318832
  H     18.12566290      8.47383922    -11.35495382
  O     18.55944504      5.91407052    -13.33691040
  H     12.18892589      8.79781161    -12.92489875
  H     18.76737361      7.62580069    -12.46185882
  O     15.62245370      9.24324830    -14.22453685
  H     11.67067875      7.35377558    -12.67323903
  H     15.53043808      6.08552501    -12.57188401
  O     13.05558759     12.57862735    -13.55298248
  H     15.53916158      9.74179338    -12.50809858
  H     16.99801248      5.66828083    -12.33581291
  O     13.90325761      5.46834739    -10.21536402
  H     15.84363841      9.38257169    -11.03285848
  H     14.33091547      7.75154623     -7.50027803
  O     11.95016663      8.11715910    -16.13851473
  H     16.17420221      7.01592706    -18.47425245
  H     13.65827290      8.09810967     -8.84817575
  O     18.70456302      8.52847431    -12.12371729
  H     15.28403545      6.80188051    -17.22827488
  H     14.86071664      8.89780909    -17.39854815
  O     16.14751967      5.77110068    -11.89228221
  H     12.36026275      5.92176677    -10.88597844
  H     13.41011183      9.10718274    -16.91239713
  O     14.43317779      7.66864489     -8.44469341
  H     10.84614728      5.62280933    -10.97235445
  H     13.65846315     10.14966354    -11.75677636
  O     14.18548394      9.57131317    -17.25233119
  H     18.30301683      8.15072529    -15.43076372
  H     12.66340529     11.08612524    -12.46963271
  O     12.72082056     10.25643849    -11.98208216
  H     17.39407712      7.27312877    -16.32360923
  H     17.74648964     13.21970265    -14.85446793
  O     17.26050070     12.41841938    -14.67719355
  H     14.20046307      6.10569604    -15.48390677
  H     16.78424267     12.55962041    -13.83906995
          69
 Energy    -247.98328350541138     
  O     14.15451053     12.38712895    -14.16804896
  H     15.09646658     12.43870290    -13.97924819
  H     19.86455418      5.33402774    -14.91894827
  O     14.92706771      6.53100856    -14.56121736
  H     14.07976033     11.95392273    -15.03209085
  H     16.48100281      9.37430291    -14.96731948
  O     17.60152503      8.01489803    -11.24896233
  H     15.62681628      6.13254509    -14.02799156
  H     14.99134124      9.71061017    -15.24548195
  O     18.14899569     10.15681581    -15.23116898
  H     15.16846535      7.46618511    -14.65893231
  H     12.90818093     11.68515888    -13.18796931
  O     12.16297217      8.79534158    -16.80789738
  H     17.30350765      7.70990289    -10.38361099
  H     11.50525364     11.89277682    -12.57305873
  O     14.32028923      8.83623007     -8.43620248
  H     17.01570699      8.74348390    -11.50044436
  H     15.60673571      5.37661661    -11.51391305
  O     13.24562523      7.06939345    -12.40537891
  H     17.84772746     10.94615087    -14.76357938
  H     15.37134451      5.96154291    -10.11431172
  O     15.88531983     10.00653322    -12.11493377
  H     18.64737032      9.63269081    -14.58012632
  H     11.85253446      9.64356391    -13.67627136
  O     16.41157975      7.76943433    -18.53436639
  H     11.31583563      8.77755783    -17.24529221
  H     12.11201160      8.12941522    -13.52363912
  O     18.45433089      7.59949449    -16.61549016
  H     11.98429027      8.75822246    -15.85061057
  H     19.44109804      7.62923825    -13.76561730
  O     14.22869210      6.88122877    -17.23119835
  H     13.94466789      9.08850960     -9.29535851
  H     18.87484355      8.39587829    -12.56214071
  O     19.16479137      5.91021116    -14.62333684
  H     13.64297633      9.01782436     -7.78964283
  H     17.18623269      6.54109424    -12.30172160
  O     15.57609718      9.17093304    -14.69884498
  H     13.65670700      6.48515528    -11.75167988
  H     17.73523995      5.65406173    -13.43647967
  O     12.19639902     11.24608242    -12.68906027
  H     13.72873867      6.88630340    -13.22364285
  H     16.71140351      6.75778194     -8.05949164
  O     14.92347002      5.52305796    -10.84666838
  H     15.07026432      9.89897620    -11.61068454
  H     15.66256236      7.72107774     -8.66371642
  O     11.76897973      8.79673309    -14.13040382
  H     15.70196776      9.66447095    -13.00483669
  H     16.49860960      9.58170976    -18.07197908
  O     19.33734662      8.51677792    -13.40196221
  H     16.40753430      7.41371880    -19.41875626
  H     17.19316706     10.50986838    -17.05228990
  O     16.98609339      5.75955556    -12.83680517
  H     15.61661044      7.42588730    -18.08824509
  H     12.92852975     10.09735795    -11.45623728
  O     16.37052929      7.09208430     -8.88517160
  H     18.47746406      8.50736006    -16.29545016
  H     13.33844096      8.59147510    -11.44913199
  O     16.49342334     10.47946613    -17.71182631
  H     17.77663250      7.57331170    -17.30268198
  H     16.66073109     11.43857470    -12.87182401
  O     13.42121574      9.42775374    -10.96495887
  H     14.43279477      6.57556217    -16.33629991
  H     17.46924912     12.75383486    -12.95029744
  O     16.99570493     12.11805461    -13.48203700
  H     13.47744404      7.47996976    -17.14391361
  H     13.42221147     10.18260787    -16.71904856
  O     14.09037918     10.81317843    -16.42517891
  H     18.88813982      6.43382209    -15.39683980
  H     14.86007164     10.75942543    -17.01208099
          69
 Energy    -247.98317930822392     
  O     15.48039097     10.55049653    -16.51258007
  H     14.63377332     10.70854688    -16.07621217
  H     19.00752579     10.90750506    -16.73996879
  O     15.03002264      5.18999721    -13.87443780
  H     15.34991489      9.90552124    -17.21997497
  H     17.56269537      8.65616288    -14.75672899
  O     18.13558820     13.44712844    -10.84832884
  H     15.94111305      5.26101214    -13.56261818
  H     16.31380345      9.43231733    -15.28032389
  O     19.48977184      8.72357226    -14.73600659
  H     15.00637497      5.59944137    -14.75016678
  H     12.33716758     11.29818283    -15.14164051
  O     14.96920717      6.93099774    -16.07799435
  H     18.38885229     14.31517534    -10.54414538
  H     12.97741415      9.91577553    -14.86575895
  O     17.74753205      9.81974742     -9.21800074
  H     18.78277086     12.82171811    -10.48447594
  H     16.87453466      8.11924646    -11.60533907
  O     15.29967076      8.54725648    -12.29445741
  H     19.67472000      9.29888067    -15.48996764
  H     18.33237953      8.61758503    -11.77638886
  O     17.42710112     12.11465575    -13.24418648
  H     19.57280708      9.24704491    -13.92896614
  H     13.46115972      7.74245331    -15.33168704
  O     18.68496327      6.27459993    -15.66906041
  H     15.01815950      7.25889471    -16.98266223
  H     12.75568445      7.70824113    -13.96981131
  O     13.24909336      6.63949335    -12.46621756
  H     15.63591050      7.43688708    -15.58884054
  H     20.54514549     11.30881165     -9.32587862
  O     17.70440655      5.56644879    -12.98162228
  H     16.99428254     10.38628324     -9.44620170
  H     19.09071666     10.82669302     -9.56520270
  O     19.62313785     10.22959295    -17.07398656
  H     17.69821435      9.04235662     -9.78429485
  H     18.57300685     10.78593252    -12.74722980
  O     16.60350703      8.72372481    -14.69054302
  H     14.57384179      7.91248044    -12.29208941
  H     19.59368757     10.55146544    -11.60876077
  O     13.16482450     10.86971196    -14.94036370
  H     15.70785257      8.54390310    -13.17685115
  H     15.39230597     11.63813684    -10.86585656
  O     17.79937919      7.89939700    -11.40960422
  H     16.51718660     11.82299736    -13.08850251
  H     16.53947033     12.44485968    -10.24437870
  O     12.80185574      8.20366714    -14.79581190
  H     17.65519505     12.71641182    -12.52509391
  H     18.60845685      8.68062997    -17.66320281
  O     19.79370300     11.41469935     -9.90208116
  H     19.16097096      7.04642753    -15.32544836
  H     18.21915490      7.25847112    -17.17571481
  O     19.22611652     10.15686004    -12.40631204
  H     18.27967891      5.88650478    -14.88786153
  H     14.96642556     10.28424173    -12.44015706
  O     15.90515567     11.74402200    -10.05505679
  H     13.84282287      6.02324558    -12.93425356
  H     14.22347731     11.24638396    -13.38955204
  O     18.02359724      7.93525836    -17.83992439
  H     12.74656125      6.12377617    -11.84250763
  H     16.97026485     11.58884487    -16.30250680
  O     14.84898187     11.22248036    -12.65731212
  H     18.21687263      4.88194421    -12.55587787
  H     17.76071203     12.10466719    -15.08352665
  O     17.82897871     11.94461803    -16.03334568
  H     17.79518845      6.35528569    -12.42501827
  H     16.40459341      8.25221072    -18.26834782
  O     15.45859828      8.45140824    -18.40834775
  H     20.28689525     10.68488143    -17.58410952
  H     15.28833453      8.34322563    -19.33943053
          69
 Energy    -247.98306648532665     
  O     16.17857059      6.89601636    -13.21971651
  H     16.95546291      7.18101397    -12.72077477
  H     21.00633253      8.29545828    -14.04585558
  O     17.37276420     10.58518544    -11.20755595
  H     15.45619850      6.77213128    -12.58872457
  H     16.52311569     12.14012735    -18.46393969
  O     17.24883001     10.95563160    -15.54366347
  H     16.53448047     10.83493324    -11.61732850
  H     16.48364949     11.48245212    -17.07579793
  O     12.90165783      5.64915830    -15.68241647
  H     17.21568662     10.53606157    -10.25612115
  H     14.60120137      9.00344724    -14.95144706
  O     14.20491817      9.18234841     -8.75360017
  H     17.86630870     11.16867056    -14.82925133
  H     15.70734963      8.43754149    -14.01980808
  O     14.06247472      6.79225086    -11.43576967
  H     16.60067471     10.33135887    -15.18654419
  H     12.03542442      8.89800545    -14.45455954
  O     14.98469208     11.19120313    -12.55558194
  H     12.33435571      5.03463341    -16.14028368
  H     10.67801733      9.40492705    -13.92032862
  O     16.80506369      7.18820145    -17.70557520
  H     12.55846997      5.72759138    -14.77468516
  H     17.36596465      8.33426575     -8.86885148
  O     14.97105797      6.41768919     -8.82975624
  H     13.70394615      9.33058430     -9.56523515
  H     17.84578242      7.48059952    -10.06037866
  O     18.71912559      8.62906304    -16.19024478
  H     14.32558249      8.22690195     -8.68070425
  H     11.64132651      7.08264287    -13.27608468
  O     15.74152704      5.71980968    -15.71136906
  H     13.79206775      7.72089305    -11.39976664
  H     12.68376509      6.23139609    -12.53241621
  O     20.09853167      8.52591724    -13.86817994
  H     14.33192914      6.54144978    -10.54357376
  H     18.55611389     11.10214466    -12.59409672
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  H     14.91263849     12.03208286    -13.00113499
  H     19.51659541     10.36158525    -13.54309823
  O     15.35442713      9.25208410    -14.40217127
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  H     18.98315082      8.09302442    -12.46723886
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  H     17.96099460      8.90480390    -11.62879717
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  H     16.43506923      6.62576276    -17.00104356
  H     15.80405329      9.86794897     -8.57217069
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  H     15.89877509      6.69445386     -8.94237658
  H     16.84498244     10.62150836     -7.70855484
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  H     14.96770075      5.70802694     -8.19376242
  H     15.42860834      8.50224865    -17.88802724
  O     18.28114053      8.00863776    -11.80916038
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  H     15.08022437     10.00861223    -17.97498858
  O     16.73890112     10.13686072     -8.52260339
  H     18.13220761      8.08823207    -16.73100210
  H     12.48745199      9.33632748    -12.08853860
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  H     14.78499432      5.59610600    -15.71021287
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  H     15.97509628      6.03194785    -14.82636980
  H     13.01994234      7.50742413    -15.87617948
  O     13.07556863      8.47085881    -15.84124730
  H     19.62674203      8.47884509    -14.71954201
  H     13.54091595      8.75840734    -16.64398858
          69
 Energy    -247.98302016969257     
  O     -3.32336626      3.22391730     -4.65461303
  H     -4.05250996      3.63104756     -5.11481673
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  O      0.91419007      4.84027331      0.21170413
  H     -3.13567249      3.78139246     -3.87913871
  H      0.16711143     -0.47134214     -3.96467325
  O     -0.80888365     -0.99759010     -0.65079034
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  H      1.52711420     -0.27603787     -3.21818644
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  H      1.21818660      5.30013680      1.00544395
  H     -1.57168410      2.97882443     -5.31188936
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  H     -0.59924568      1.82196461     -5.60012695
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  H     -0.30450466     -0.67837195      0.10636336
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  H      4.25023449      3.76814743     -3.90876571
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  H      3.26405953      2.87618403      2.68873414
  H      0.22938845      5.54972746     -1.26853217
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  H      0.62847549      4.73044440     -3.37786569
  H     -0.05807671      6.83549499     -2.07678933
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  H     -0.20385545      3.40596385      2.95761670
  O     -3.29545359     -0.16554514     -1.29524401
  H      2.34461483      1.26414090      4.47779481
  H      0.75432717      4.47130542      3.51990392
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  H      1.43974550      2.29733807      3.76887750
  H      2.58768599      4.17531229     -0.33417183
  O      0.59053402     -0.49300729     -3.09706786
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  H      3.62353808      3.70040904     -1.39846649
  O     -0.65125980      2.78239469     -5.52915471
  H      1.35530792      0.54114227      0.77489003
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  O      3.65846168      3.38550836     -3.26543149
  H      1.50183962      1.54476003     -1.02619659
  H      3.42655604      1.37322951     -3.31174300
  O     -0.12649530      5.88414172     -2.10900832
  H      2.80961839      2.04569267     -0.38302199
  H     -3.21284744      0.23113428     -3.14561582
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  H     -1.88299883      5.13923386     -2.33576941
  H     -3.26730492      1.38508037     -4.18723668
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  H     -2.68611594      3.93439060     -1.79964713
  H     -2.81281914      1.59021717     -0.93628591
  O      3.18384161      0.47790688     -3.05383358
  H     -1.02757286     -0.66328580     -6.20821461
  H     -1.47747284      2.27840740     -1.31106492
  O     -3.08861141      0.44226820     -4.07831172
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  H     -1.37813292      2.69852217      0.65150661
  O     -2.32903637      2.42120896     -0.86410521
  H     -3.94729555     -0.73584544     -0.89728661
  H     -0.22960166      1.90356467      1.32393555
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  H     -2.42194660     -0.51824187     -1.04357718
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  O      1.94289341      5.75711573      2.65362776
  H      0.16393247      1.16019839     -2.50437623
  H      2.63332610      5.06926275      2.61963975
          69
 Energy    -247.98281737046705     
  O      1.99455020     -1.36096611      1.49757512
  H      1.45750256     -2.10240743      1.18378513
  H      6.76495445      0.80508273     -0.22473578
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  H      2.88758558     -1.48050420      1.14070206
  H      3.20888476     -4.73768456     -0.27352422
  O      8.46050883     -0.68098734     -2.28674622
  H      1.40927631     -0.17570667      0.19995147
  H      3.09078847     -5.48894079     -1.60856937
  O      4.31562376      1.58483431      1.56457962
  H      1.94259122      0.87067612     -0.79317895
  H      5.67222490     -1.90218743     -2.62848225
  O     -0.11125675     -1.60477126     -2.01908527
  H      9.16261209     -0.24764748     -2.76550797
  H      7.20718994     -1.98554873     -2.73094195
  O      4.45544086     -6.24755581     -2.74206782
  H      7.87110214      0.02066974     -1.95907642
  H      3.63224025      2.57260706     -1.34400831
  O      0.56220937     -3.33122148      0.21288739
  H      5.18608645      1.16750974      1.62209828
  H      3.90953606      1.66311059     -0.11805090
  O      8.06616377     -4.00709117      0.98738214
  H      3.80567294      1.20091800      2.28738552
  H      6.27677334     -4.51573054      3.94547714
  O      6.39719101     -4.80932326     -1.21227542
  H     -0.96384074     -1.31423497     -2.33094332
  H      5.87997460     -3.12528300      3.40198478
  O      2.28674410     -2.77163850     -2.85763041
  H      0.29365724     -0.84972484     -1.55581615
  H      8.60962648     -2.31425876      0.68601050
  O      6.53916183     -0.11574657      1.43087925
  H      4.46779599     -7.05589757     -3.24723303
  H      8.80738780     -1.24932867     -0.42277442
  O      6.74386009      1.12900409     -1.13550517
  H      4.45401649     -5.51337729     -3.38293105
  H      6.03910435     -0.90715374      3.11551598
  O      2.61912396     -4.87838093     -1.02945814
  H      1.13337443     -4.00694608     -0.17356702
  H      4.67458022     -0.99373686      3.81316791
  O      6.40232720     -2.51130304     -2.81296663
  H      0.18462492     -2.84815974     -0.53204763
  H      5.02499504     -4.41791951      1.69708971
  O      3.73756247      1.66166606     -1.07842928
  H      7.61525828     -4.40612696      0.23330044
  H      5.27898683     -4.61641511      0.16746060
  O      6.08398797     -4.04012268      3.14156128
  H      7.45899296     -4.06322873      1.73420298
  H      2.40453733      0.22558228      4.28720601
  O      8.74790980     -1.36744103      0.53071756
  H      5.86886140     -5.43815649     -1.71846573
  H      2.54327866     -0.50560287      2.93102327
  O      5.52997023     -1.43344411      3.74467932
  H      6.45375368     -4.00435506     -1.74808866
  H      4.44738422     -1.51490354     -0.50740079
  O      4.59653728     -4.43254426      0.83191375
  H      1.40562789     -2.40131961     -2.72363514
  H      4.58330610     -2.66821727      0.54769015
  O      3.02692384      0.01502626      3.59584527
  H      2.39067664     -3.48118357     -2.20656376
  H      3.65894782     -3.52501405     -3.99231784
  O      4.52483861     -1.71028170      0.43496215
  H      7.39272824     -0.52762374      1.22076187
  H      5.20405529     -3.48643742     -3.95271170
  O      4.45124846     -4.00522683     -4.26597666
  H      5.84285952     -0.70888964      1.10204524
  H      3.44672338     -1.46887694     -2.46259092
  O      4.21451462     -0.93776576     -2.20263436
  H      5.82519660      1.35158473     -1.30195815
  H      3.92248495     -0.04927599     -1.97572496
          69
 Energy    -247.98279313025495     
  O     20.05554661      9.12291890     -8.17157923
  H     20.46170558      8.35451031     -8.59859694
  H     17.10874830      8.48879267     -9.51553167
  O     17.26173238      5.28644118    -11.48382161
  H     19.52238421      8.75876092     -7.45670081
  H     20.28013787      6.09078126     -8.85838098
  O     15.80452021      8.09374504    -14.62591645
  H     17.89872954      4.99720494    -12.14611670
  H     21.01480683      6.27310337    -10.23278921
  O     16.01353902     10.10944054    -12.58373352
  H     17.59539490      6.13785226    -11.15342047
  H     17.66002154      7.71758106    -14.49820786
  O     14.99484820      6.44641752    -12.58019218
  H     15.23015671      8.03770187    -15.38541318
  H     18.83507119      8.29531262    -13.69297364
  O     18.77366499      9.64141666    -12.37954166
  H     15.47056845      7.45376040    -13.97400298
  H     12.55952623      7.05825864     -8.81810835
  O     19.26242360      5.21524704     -7.67429848
  H     15.93682803      9.61531221    -13.40917662
  H     11.29597729      7.76338839     -9.36825643
  O     14.01767219      3.75396043     -8.87087122
  H     15.38349372      9.68232546    -11.98569221
  H     16.30263089      6.20469856     -7.77497275
  O     21.43122642      5.44872884    -11.78871613
  H     14.79728159      7.16961471    -11.96465590
  H     16.11482963      7.75082297     -7.81655878
  O     18.27402584      7.61328266    -10.55662764
  H     15.76375302      5.97380638    -12.23044011
  H     15.04373903      8.65419081    -10.16995311
  O     18.55791642      7.59594212     -6.18196314
  H     17.84146464      9.89752370    -12.44481354
  H     13.56301209      8.29137221    -10.47348890
  O     16.39870005      8.95711816     -9.05014506
  H     19.17218592     10.17622827    -11.68074149
  H     20.31673267     11.67957542     -9.95595009
  O     20.65737107      6.74356667     -9.46862385
  H     18.40711818      4.90762010     -7.99937637
  H     19.76352465     10.36232846     -9.37131495
  O     18.57772299      7.54992466    -14.25111283
  H     19.07653631      5.93969960     -7.06385262
  H     16.88048718      4.82463628     -9.74234557
  O     12.15795706      7.44258498     -9.61858313
  H     13.62869625      2.88616668     -8.80248259
  H     15.80888697      4.27643345     -8.77396021
  O     16.08291142      6.97642124     -7.23202954
  H     13.66742489      4.15632588     -9.68562669
  H     13.53588293      5.31059195     -7.84447510
  O     14.39687572      8.55112788    -10.88339902
  H     20.69669266      5.26504395    -12.39151781
  H     14.24841279      6.54833693     -7.27122388
  O     19.63545062     11.02292702    -10.07538357
  H     22.22287250      5.41603717    -12.32112052
  H     17.78723013     11.45637507    -10.07349862
  O     16.66467994      4.72220222     -8.80531447
  H     19.10593254      7.34523454    -10.14175714
  H     16.54088553     11.31005527    -10.97726410
  O     13.38248831      6.21295446     -7.53763878
  H     18.47988267      8.26224302    -11.24114716
  H     19.02484875      5.93854973    -13.80905633
  O     16.82045387     11.47695698    -10.07052907
  H     17.63872846      7.41704031     -6.43923246
  H     19.20656684      4.47562572    -14.28449915
  O     19.23116460      5.03326696    -13.51143048
  H     18.55906307      7.69630652     -5.23286140
  H     13.63156331      5.42943197    -11.68947971
  O     13.01893071      5.08983424    -11.02580362
  H     16.50458178      9.89913086     -9.23967589
  H     12.59185221      5.86552181    -10.64065272
          69
 Energy    -247.98265916386336     
  O     13.44285335     10.41939880    -15.83733365
  H     13.38160374     10.32210048    -14.86892655
  H     15.77259667      4.33456716    -15.19061118
  O     16.54399452      5.96535622    -12.71369296
  H     12.68892076     10.93615688    -16.10886220
  H     20.07550103      8.67590020    -14.12209212
  O     19.78263201     10.59206375    -14.13975733
  H     16.53760058      6.64096426    -13.41057778
  H     19.73265141      7.47344422    -13.21563326
  O     19.28825843      8.64824163    -18.27781402
  H     16.19991924      5.16694360    -13.12834809
  H     16.36542759      9.58290997    -17.67208452
  O     13.20364010      5.88046506    -14.01623488
  H     18.83981971     10.49655164    -13.91630012
  H     17.43403836      8.79800426    -18.46163777
  O     17.31793741     10.78622382     -9.43475090
  H     20.16573273     11.15836443    -13.47476767
  H     15.60649596      7.73094288    -15.19960187
  O     15.23058828      7.53584525    -10.88673284
  H     19.29335055      9.49030131    -17.78704154
  H     17.14959651      7.48558073    -15.34959838
  O     17.11179257     10.23283044    -13.77918109
  H     20.01771183      8.68088330    -18.89004438
  H     14.02830269     10.29873118    -12.59424928
  O     16.50461369      4.97202407    -16.63725911
  H     13.86072622      5.17971014    -14.09276270
  H     12.98257186      9.19058458    -12.79604748
  O     17.41687089      7.98553371     -9.26738367
  H     13.37294349      6.48283373    -14.75520979
  H     18.58972105      7.43841697    -10.84533861
  O     18.58215588      6.81305113    -16.23247322
  H     17.45794230      9.83747578     -9.28966250
  H     18.16845211      6.50469042    -11.98563444
  O     15.36373519      4.02080865    -14.36357455
  H     17.45575273     11.20654457     -8.58940843
  H     11.77712934      7.28242443    -11.60157594
  O     20.02055255      7.71422112    -14.10779968
  H     14.29021725      7.50647889    -11.10166338
  H     12.81810739      6.87386902    -12.67184801
  O     16.48145270      8.90154046    -18.34601770
  H     15.67061883      6.93545070    -11.50807642
  H     19.39550487     10.88834141    -15.95833350
  O     16.45630540      7.79116530    -14.74744789
  H     16.92324354      9.33160871    -14.08675758
  H     18.10135705     11.12182079    -16.77353807
  O     13.30223715     10.02104207    -13.16782035
  H     16.60204633     10.36147246    -12.97086571
  H     15.54238647      7.48313206    -18.44072272
  O     18.91901487      7.00747571    -11.63860107
  H     15.98288845      5.45480128    -17.28847632
  H     14.67769328      6.51028438    -19.28211006
  O     12.63999412      7.49838077    -11.94438529
  H     17.32158283      5.47778859    -16.52439823
  H     16.09685076     10.63017257    -10.78339312
  O     19.04463092     10.93573844    -16.85730727
  H     17.51553617      7.30725022     -8.60307160
  H     15.44273088      9.33643901    -11.32136331
  O     14.98880893      6.68062979    -18.39769851
  H     16.59349118      7.78639544     -9.74438739
  H     16.52224546     10.75753380    -15.43448182
  O     15.54592208     10.28218696    -11.49735321
  H     18.86227011      7.36315230    -16.97290580
  H     15.24088475     10.88196796    -16.26427020
  O     16.20258872     10.91159299    -16.33535502
  H     19.16297645      7.02949534    -15.48475779
  H     13.71665097      8.58702623    -16.08161439
  O     13.94477539      7.65186117    -16.01253278
  H     15.36185651      3.06860727    -14.40668542
  H     14.17747123      7.32352708    -16.89096108
          69
 Energy    -247.98261959450548     
  O     17.13085753     10.70993684    -10.03078621
  H     17.85827537     10.17187493    -10.37946230
  H     13.51808434      9.99026295     -7.02094012
  O     14.04929039      5.07610844     -7.70102149
  H     16.42287032     10.62771168    -10.68617517
  H     16.59119819      6.35302769    -13.94095329
  O     12.17919229      7.19348478     -8.25783190
  H     14.43665893      5.61413785     -6.98674174
  H     17.99988405      5.90911921    -14.39649932
  O     15.28353965     10.00842843    -11.98366181
  H     13.91734144      4.20214729     -7.34433865
  H     14.95746543      5.71591574     -9.20371488
  O     19.03565391      9.05655138    -11.12889597
  H     12.61954549      7.87113855     -7.72501381
  H     15.55343796      7.12841678     -9.41160931
  O     21.11572048      9.01161476     -9.24120740
  H     12.68119225      6.38362628     -8.11545947
  H     17.49928326      8.37261391    -13.71628290
  O     17.95519572      6.49390242    -10.92201813
  H     14.84162082      9.15056043    -11.92697659
  H     18.17596313      9.37538304    -12.78724943
  O     11.63594353      8.38628666    -10.60056027
  H     16.00391574      9.88311537    -12.61900432
  H     18.00264880     10.98626766     -5.07206782
  O     16.21240358     11.82818719     -7.57346120
  H     19.86004328      9.04686102    -10.62965051
  H     17.27323199     11.02508956     -6.43657513
  O     13.13745494     10.80456397    -10.29751662
  H     18.64157643      8.17635047    -11.03282467
  H     16.55283818      8.31478472     -7.86884989
  O     13.38914703     11.73844718     -7.76903826
  H     20.64156175      9.74978269     -8.81765488
  H     16.36362037      9.32404893     -9.04339819
  O     13.76208517      9.06350490     -6.92532874
  H     22.04613167      9.20972173     -9.18399424
  H     18.83108504     11.19134217     -8.82252779
  O     17.53815212      6.40435340    -13.72449629
  H     17.07702627      6.32196948    -10.55466276
  H     19.13916940     10.86185738     -7.35910888
  O     15.38535926      6.28117504     -9.85700514
  H     17.87855932      6.35971717    -11.87556362
  H     15.99215524      7.02507022     -5.92843766
  O     17.50747359      9.30777708    -13.48250867
  H     10.70483426      8.31783276    -10.79226086
  H     14.55404531      7.58169392     -5.95473213
  O     17.96330307     10.56352242     -5.92601141
  H     11.78449398      7.92841062     -9.75266110
  H     14.42422854      7.00393380    -11.18287494
  O     15.94863661      8.59465957     -8.57218298
  H     15.24810951     11.86367261     -7.57733583
  H     13.10171704      7.75833275    -11.51151695
  O     19.55354941     10.98243919     -8.22355984
  H     16.47417472     11.60780454     -8.47598389
  H     18.95005784      6.61361428     -9.23263985
  O     15.06405399      6.77043568     -5.83337923
  H     12.56537581     10.03394496    -10.40038890
  H     20.04165576      7.53509532     -8.65323359
  O     13.96277700      7.50864791    -11.86874667
  H     13.84594437     10.69893318    -10.94401265
  H     17.83675860      8.70166277     -6.22197345
  O     19.34978843      6.90946248     -8.40610046
  H     13.28530799     11.44303504     -8.69209508
  H     18.28682145      7.45909233     -7.08068585
  O     17.59320443      7.81016583     -6.50049994
  H     12.76773605     12.44904871     -7.63680507
  H     14.47125992      6.82884114    -13.43257611
  O     14.86767022      6.46977005    -14.24337353
  H     14.50351069      8.93078645     -7.53705073
  H     14.32260964      6.77859568    -14.96277871
          69
 Energy    -247.98247393789660     
  O     16.73585420     10.71494359    -10.90162458
  H     16.96886266      9.80645633    -10.66786757
  H     13.84918065      8.48946215    -14.73641827
  O     16.21318899      6.14765190     -7.20931805
  H     16.20471157     11.05221870    -10.17135879
  H     12.36986005     11.66560689    -10.18641266
  O     15.66358620      6.26045416    -11.75496252
  H     17.09490212      6.11519621     -7.60218340
  H     11.97893345     11.01815022     -8.83973587
  O     11.07001505      6.24240034    -11.75076158
  H     15.94089422      7.07258010     -7.25449626
  H     14.44204645     11.32107340    -13.98495306
  O     17.05997242      4.32237365    -10.29873132
  H     15.51022336      6.87556681    -12.48455742
  H     13.29524267     10.58528519    -14.69771449
  O     14.86027861      4.13586621     -8.45733845
  H     14.81087715      6.10026957    -11.32793271
  H     18.14010278      5.34031820     -9.36701574
  O     17.12190222      8.03108916    -10.12909999
  H     10.57367778      5.43094670    -11.83638972
  H     19.48989076      5.72205510     -8.70987991
  O     15.21472264     11.52059852     -8.59972377
  H     11.88762346      6.01232091    -11.28260634
  H     13.21940265      6.47611017     -9.70958862
  O      9.81157617      8.49186395    -10.42304450
  H     16.33641905      4.07093333     -9.71148837
  H     13.76442387      5.02891041     -9.68292217
  O     15.56768976      8.81604444     -7.95556289
  H     16.66068572      4.90610913    -10.95992913
  H     11.07946063     11.06005849    -12.20059317
  O     13.36424050      8.95327474    -11.49280156
  H     15.28516274      4.85704227     -7.95858496
  H     12.47226311     11.50389007    -12.74055481
  O     13.13502733      8.72901659    -15.35129966
  H     14.64305210      3.45750676     -7.82352739
  H     11.56825642      8.27379361    -14.44406563
  O     12.60193598     11.63031075     -9.24742188
  H     16.59853700      7.46045150    -10.70850634
  H     11.00538519      7.45033515    -13.25465338
  O     13.50435285     11.38830494    -14.20672422
  H     17.77185471      7.46046873     -9.70110428
  H      8.77815762     10.45072517    -13.21057111
  O     18.58818067      6.01020329     -8.81876078
  H     15.42689349     12.33075866     -8.14393853
  H      9.94087184      9.42670314    -13.22758982
  O     13.33795826      5.67970996    -10.25331210
  H     14.27337779     11.57759488     -8.84402234
  H     10.25379091      9.60602061     -7.50792204
  O     11.95302215     11.37026426    -11.93332931
  H      9.61407459      9.09258133    -11.15258972
  H     10.44853296      9.20319469     -8.99035574
  O     10.76832479      8.09180001    -13.93573043
  H     10.23702697      7.72227344    -10.81904764
  H     17.01035239     11.31168562    -13.94399775
  O      9.52966413     10.14459900    -12.71100764
  H     16.10631392      8.54496900     -8.71460993
  H     16.41556231     10.89086423    -12.58174783
  O     10.89722516      9.57882889     -8.21037476
  H     15.47563697      9.77488929     -8.02480489
  H     12.36881304      8.50322857     -8.48592313
  O     16.25560459     10.88947399    -13.54330824
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  H     13.92096318      8.29117019     -8.43422227
  O     13.09781308      7.97442393     -8.83049792
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  H     15.61878962      9.12929213    -13.56640458
  O     15.06837871      8.34454417    -13.45662891
  H     13.40423791      8.42975844    -16.21607216
  H     14.44982241      8.54852134    -12.72937078
          69
 Energy    -247.98244843731658     
  O      0.62240677     -0.07268899      3.32589743
  H      0.94835281      0.82193372      3.47662035
  H     -3.48348209      1.00278895      6.22705216
  O     -2.07082750     -1.05800574     -3.63304885
  H      1.12235961     -0.45481953      2.58886489
  H     -0.36098535      3.21219870      1.02627650
  O     -0.95040768     -1.26204289      5.31502901
  H     -1.30251092     -0.75515586     -3.11981797
  H      0.89721784      2.94189185      1.87033516
  O     -4.03655382     -0.48739182     -1.69004978
  H     -1.86494414     -0.90773336     -4.55206967
  H     -1.28308393      0.59877971     -0.90825901
  O     -2.03891283     -3.53487261     -2.11947493
  H     -0.29438751     -0.89692041      4.70444656
  H     -2.81865249      0.53476630     -0.80083848
  O     -0.04986941     -2.66776960     -0.38006737
  H     -1.60465060     -0.56702240      5.44293947
  H     -1.83752668      0.19968804      1.23270568
  O      1.21079834      2.66251611      3.69721034
  H     -3.98454494     -1.29233843     -1.15161252
  H     -1.01033285     -0.05350925      2.54498126
  O     -0.05475105     -0.34119480     -1.89381004
  H     -3.50419874     -0.64329827     -2.47922943
  H     -4.65978551     -2.45705281      0.52695410
  O     -5.11380441      2.63510004      1.65459452
  H     -2.78137362     -3.43188318     -1.51147001
  H     -3.18094658     -2.87581540      0.57528806
  O     -4.32449188      0.34364816      3.12065248
  H     -2.12284178     -2.81961633     -2.76089625
  H      1.93236051     -0.27425712      0.45409080
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  O     -2.03363641      0.93319891     -0.40274289
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  O     -1.86629216     -0.18887058      2.11646892
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  H     -5.80654425      3.27638052      1.79019890
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  H     -1.75034330     -3.33093817      2.60986925
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  H     -4.61043461      1.17020780      2.71060054
  H     -1.84334534     -1.94818087      1.91660394
  O     -1.60850523     -3.74703480      4.34916046
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  O     -1.81448863     -2.90138141      1.74651852
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  H     -5.31788814     -0.96366038      2.32024892
  O     -5.84261307     -1.54608771      1.74718272
  H     -3.27359770      3.12803108      1.41853219
  H     -5.38617029      0.39188524     -0.76637100
  O     -5.95178974      0.70087882     -0.04578444
  H     -3.54609682      0.62585027      4.72968778
  H     -6.10827692     -0.07680968      0.50364401
          69
 Energy    -247.98238920787549     
  O      0.95471435     -1.05790697      4.93497637
  H      0.00748537     -1.26129258      4.93044604
  H     -2.06138896     -0.54941590      5.38398584
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  H     -1.91429787      1.36395494     -0.73561669
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  O     -3.31332357      2.20817287      3.80135625
  H     -0.04107328      0.30477899     -0.55624784
  H     -1.46091166      0.32028695      2.19238768
  O     -4.23563299     -3.93253537      2.35496015
  H      2.21226903     -2.68998628     -1.43624513
  H     -2.65802327     -0.50976889      1.66065247
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  H      2.07495936     -3.75592790     -2.54789402
  H     -0.12218323     -2.89863204     -1.48296378
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  H      1.09779762     -2.01825620      1.99751160
  O     -4.68651470     -1.70216505      4.02135639
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  H      1.71604954     -1.24773157      3.17233665
  O     -1.88484567     -1.33425235      4.84650222
  H     -2.63818139      2.30042853      3.12210732
  H     -2.76171773      1.55944756      5.30369471
  O     -0.80854077      2.04678731      2.19336135
  H     -4.81771601     -4.66990068      2.19074234
  H     -2.75330044      1.50521323      6.85260550
  O     -2.50728306      1.93608937     -0.22420169
  H     -3.99869066     -3.56609063      1.48405181
  H      1.93602823      0.99311303      0.10893870
  O     -1.86740754     -0.55465581      2.21342823
  H     -0.63364348      1.62014771      5.34053117
  H      1.42663523      0.09938851      1.27005545
  O     -0.92380382     -2.69281794     -0.98674212
  H      0.59230617      0.85181281      4.83173288
  H     -1.83497128     -3.26890020      4.34526921
  O      1.81622979     -1.40812723      2.22825132
  H      3.89309931      1.36246635     -1.59415922
  H     -2.63751749     -4.11965065      3.34315307
  O     -2.35316194      1.12525525      6.07555031
  H      2.67102800      0.47442224     -1.93615539
  H     -0.78443762     -3.45115923      2.38707403
  O      1.19646045      0.85763308      0.71449412
  H     -6.42153886      0.79191256      3.05605688
  H     -0.95186178     -2.02903745      1.81104962
  O     -1.78336721     -4.05742612      3.79338130
  H     -5.27185929     -0.21016560      3.33441279
  H     -3.86651608     -1.87201501      0.03955707
  O     -0.44089957     -2.84857733      1.71467155
  H     -4.62262340     -2.48024971      3.45052865
  H     -2.77478051     -2.83241057     -0.49875731
  O     -3.61038458     -2.80351775     -0.01856178
  H     -3.84538981     -1.64777006      4.48482325
  H     -4.71291701      0.16854693      1.26673275
  O     -4.10452756     -0.13439072      0.58232300
  H     -1.92490811     -1.05543471      3.91571417
  H     -3.66275175      0.64679480      0.21557686
          69
 Energy    -247.98237022058524     
  O     18.84900197      8.56548588    -11.77168319
  H     18.89783496      7.79845028    -11.18745564
  H     14.53981302     10.77493010    -13.41608707
  O     12.25323282      7.27784528    -11.47250161
  H     18.72518708      8.23576880    -12.67616501
  H     12.55871234      9.68071882    -13.57860399
  O     19.52282661     11.20328275    -11.36577025
  H     12.14819539      7.45199568    -12.41744361
  H     12.67188161     10.38077289    -12.20960206
  O     12.24480899      7.93246741    -14.23210528
  H     12.25189019      8.14170819    -11.04154446
  H     15.95112470      2.63992211     -9.69409399
  O     18.20143203      7.57473663    -14.20861073
  H     18.76540425     11.69057618    -11.70986576
  H     16.46753052      4.05746902     -9.39737717
  O     18.67645242      6.36443869    -10.08722843
  H     19.37340446     10.27091330    -11.58701512
  H     15.29878928      7.40751330    -11.43602902
  O     18.55854891      8.38487671     -8.02189072
  H     11.61111669      7.67218002    -14.89534267
  H     13.92059895      6.68519648    -11.35498100
  O     16.12255108      5.79067710     -9.02101996
  H     13.10625237      7.58086688    -14.51889465
  H     17.59556234     11.65491185     -8.97712979
  O     14.67670755      7.03525482    -15.03249176
  H     17.67993924      8.16185961    -14.76815753
  H     16.80298420     12.18279247    -10.19119870
  O     17.07249563     12.54776398    -12.06425278
  H     17.61532303      6.84450011    -13.96721360
  H     17.09358015      8.87784881    -11.44939902
  O     16.36760170      9.26817418    -15.59435759
  H     18.79056479      5.62171359    -10.69173998
  H     15.84587103      9.30933727    -10.57973024
  O     15.50692013     10.71861386    -13.42037169
  H     17.81074988      6.21971541     -9.67939258
  H     19.51686547     11.09783335     -9.64356614
  O     12.81037300     10.51239659    -13.15601365
  H     18.85919557      7.75325674     -8.68439561
  H     20.06823287     11.49792614     -8.25403938
  O     16.71186989      3.20660963     -9.79667614
  H     18.89611974      9.25452948     -8.27203386
  H     15.51530368     10.64942508     -9.03999283
  O     14.87654775      6.54288484    -11.32006211
  H     15.97310747      6.46447005     -8.34938554
  H     15.23734014      9.24838186     -8.38810127
  O     16.71016937     11.89978430     -9.27314983
  H     15.60263585      6.03445219     -9.80398319
  H     15.85289182      5.80292859    -12.64046745
  O     16.13160689      8.97134261    -11.43791741
  H     15.24835064      7.76053202    -15.31331735
  H     17.10331113      4.95126120    -12.93873771
  O     19.37098855     11.01007228     -8.68409930
  H     15.24477609      6.40461622    -14.57435382
  H     15.94788301      7.97513598     -6.29797961
  O     14.94457550      9.86433082     -9.07013236
  H     16.97829949     13.42459394    -12.42905069
  H     16.95267368      8.16847850     -7.46193720
  O     16.44619026      5.52166261    -13.35360767
  H     16.50544759     11.96571912    -12.59521325
  H     13.35987979      9.90517252     -9.88444211
  O     16.01481264      8.00378040     -7.24863558
  H     16.46583325      9.81066542    -16.37250231
  H     11.88777426     10.35475915     -9.79200025
  O     12.51296112      9.91038586    -10.35994470
  H     16.07429764      9.85410876    -14.87699192
  H     19.00499105      3.41631305    -12.05648674
  O     18.37102985      4.07716903    -11.78934564
  H     15.73642354     10.05201092    -12.75309341
  H     17.80630679      3.66858183    -11.11023074
          69
 Energy    -247.98231757995907     
  O     14.10949812     10.67355983     -8.67034445
  H     14.22510948     10.57677478     -7.72904097
  H     17.00255743     15.38211721    -16.72984988
  O     11.38328695     11.29517415    -15.38158158
  H     14.72278499     11.37291736     -8.95964172
  H     13.19748251     14.14101515    -10.87939340
  O     14.87731060      8.81906149    -10.69950201
  H     11.23796411     12.00238984    -14.73429870
  H     12.44606858     12.75964736    -10.99718899
  O     12.00317219     11.08137165    -10.47900038
  H     11.62633684     11.72780982    -16.20993019
  H     11.60451704     14.45325423    -14.86352457
  O     12.63173256      9.13560962    -12.42650891
  H     14.10183264      8.76084509    -11.27020708
  H     12.20963074     14.22943874    -16.26213079
  O     13.88999425     10.31452604    -14.62090011
  H     14.61077557      9.35461183     -9.94161727
  H     15.45913921     12.37430800    -12.69518003
  O     14.50674778     15.16685846    -10.01921320
  H     12.23885085     10.43239958    -11.15749810
  H     13.96108455     12.78969376    -12.48958680
  O     10.19151178      9.29662065    -13.87784609
  H     12.60838160     10.92951620     -9.74221439
  H     17.47559487     13.19960312    -15.36808832
  O     14.75371986     14.79932101    -14.52346625
  H     11.75910482      8.98884363    -12.81014359
  H     17.25684559     11.68873090    -15.18986771
  O     15.04682984     12.47196738    -17.55923127
  H     13.17805850      9.45864112    -13.15707686
  H     12.07174165     12.91046053    -18.44035026
  O     10.86941737     13.30784656    -13.52661847
  H     14.18123790     11.06548890    -14.07506543
  H     13.32101680     12.65885307    -17.56533855
  O     16.64784671     14.54192631    -16.45223426
  H     13.04054787     10.57771677    -14.99714174
  H     16.45030663      9.42599337    -11.22443097
  O     12.70905234     13.56107302    -11.47424157
  H     14.46480922     15.99212866     -9.54443669
  H     17.96644930      9.17172278    -11.25196228
  O     12.19860372     14.84337266    -15.51812187
  H     15.11717706     15.29997675    -10.76745589
  H     16.53964822      9.46377483    -16.25335473
  O     14.59067482     12.40647056    -13.11511213
  H      9.59869788      8.73670169    -14.37285521
  H     15.38877423     10.21845368    -15.54990233
  O     17.67004988     12.45949004    -14.78122977
  H     10.54892739      9.94830596    -14.50433652
  H     17.47067354     12.51438409    -13.02808712
  O     12.35448796     12.77523148    -17.53972384
  H     14.72081324     13.91492727    -14.13107367
  H     17.29990743     11.52933959    -11.84397690
  O     17.30357972      9.82279298    -11.46624013
  H     13.86631597     14.96970449    -14.87033686
  H     10.24349464     11.30089316    -11.31961045
  O     16.20662008     10.33688732    -16.06234039
  H     15.45778967     11.69371392    -17.16432667
  H      9.61920650     10.61572491    -12.54732782
  O     17.18521629     12.45877966    -12.10113272
  H     15.60775665     13.21689176    -17.30998849
  H     16.70670226     14.41013880    -12.11346477
  O      9.55964080     11.40355375    -11.99389264
  H     10.22862323     12.76250990    -13.04826651
  H     15.72628250     15.24416678    -12.97044763
  O     16.20154426     15.23125445    -12.12827520
  H     11.53332473     13.54448900    -12.86355101
  H     15.34101084     13.53674450     -9.59253348
  O     15.73457889     12.65572801     -9.55586334
  H     15.97154466     14.72944829    -15.77728795
  H     16.33410844     12.59895076    -10.30711002
          69
 Energy    -247.98194250953554     
  O      8.60529394     -7.81528874      2.16920129
  H      7.69290044     -7.51003763      2.11656544
  H      9.60171031     -9.76778687      4.83022635
  O      5.23030267     -9.15606658      3.25907496
  H      8.65526754     -8.47954438      2.86756407
  H      2.57240117    -10.05108750      1.88156081
  O      6.90187422    -10.90473550     -2.83181140
  H      5.34003050     -8.24502378      2.96514009
  H      3.45269838     -9.72207719      3.09240028
  O      9.88353888     -8.29325978     -0.15553155
  H      5.69726994     -9.68796832      2.59611176
  H      3.65221598    -12.88489783      2.24745933
  O      6.58206210    -10.59728219      1.31295919
  H      7.06702339    -10.24384007     -2.14143278
  H      2.97191047    -11.89422763      3.19632421
  O      4.53440464     -9.31477079     -3.20126103
  H      7.70021900    -11.44583854     -2.85873269
  H      7.71240957    -13.28525395      1.98462547
  O      3.23802723    -10.32102881      0.02919734
  H      9.49792127     -8.08377753      0.71548579
  H      6.54884165    -13.90452072      2.78070036
  O      5.63957317    -13.49649814      4.39069548
  H     10.49346563     -7.59166875     -0.36514242
  H      9.91384758    -11.53454996     -0.90152375
  O      5.85393845     -6.83532939      1.79774051
  H      7.38491807    -11.03509597      1.62732765
  H     10.20549854    -10.17965600     -0.19623704
  O      2.74320829    -11.26722200     -2.61121759
  H      5.95640409    -11.28967093      1.06917415
  H      8.19459878     -8.72990606     -0.72435287
  O      4.80941250     -8.01617605     -0.52220482
  H      5.38385627     -9.77236801     -3.25530764
  H      7.10810698     -9.61509900     -0.04510720
  O      8.99690634     -9.90607038      4.10595890
  H      4.60027701     -8.69423055     -2.46720908
  H      9.07944941    -11.29647473      2.84699497
  O      2.61197645    -10.12932697      2.84167693
  H      3.71692849    -11.08361230      0.37674799
  H      9.44626846    -11.68771291      1.37482781
  O      3.34821945    -12.78544331      3.15702138
  H      2.89466596    -10.60633799     -0.82675239
  H      6.01820254    -10.24520411      4.54842235
  O      6.94470491    -13.87143404      1.89987014
  H      4.76562665    -13.25025853      4.03653594
  H      6.31203035    -11.74528999      4.81487190
  O     10.23814109    -11.13729241     -0.08446391
  H      5.48178003    -14.10418003      5.10888390
  H      6.53884252    -13.96238074     -1.34243303
  O      7.30784389     -9.09030315     -0.83703217
  H      5.63176300     -5.90926441      1.86058866
  H      7.28490767    -14.25113427     -0.01417366
  O      8.88045400    -11.91147922      2.13086246
  H      5.43280790     -7.16415151      0.98723682
  H      5.49913743    -13.16118480      1.09984069
  O      6.63416477    -10.85228884      4.98201252
  H      3.31793683    -10.54440285     -2.92269999
  H      4.83896395    -12.77274447     -0.26402109
  O      7.40266191    -14.17346163     -0.96780635
  H      1.98625871    -11.29010671     -3.19020407
  H      5.69585254    -12.17047513     -2.31584613
  O      4.78420125    -12.64725093      0.69435329
  H      5.70698501     -8.34583309     -0.68905288
  H      4.18877800    -12.49726469     -2.30304144
  O      5.04907295    -12.82773754     -2.01712496
  H      4.26438666     -8.77590171     -0.27138397
  H      9.70138928    -13.09025921     -2.87822321
  O      9.13437429    -12.56036555     -2.32324540
  H      8.16745331    -10.24152342      4.49236828
  H      8.58475369    -13.18229267     -1.81378415
          69
 Energy    -247.98169250634371     
  O     12.06360744      9.79554507    -14.94320716
  H     12.38136329     10.70025378    -14.83763823
  H     19.56073923      9.38381114    -15.27323058
  O     16.74215059      7.06732108    -13.44496001
  H     12.61116416      9.37623715    -15.61846407
  H     14.91112178     13.35334634    -17.27264043
  O     17.26890169     10.95305691    -11.50642967
  H     16.11177095      6.94803348    -12.72152624
  H     15.59526362     12.53819682    -16.16031562
  O     16.89826670     11.49404026    -15.62069725
  H     17.51133774      7.51521661    -13.06706521
  H     16.01659743      8.53702667    -14.19007724
  O     13.44548195      5.67879656    -15.63415094
  H     17.17807135     10.80994382    -10.55627035
  H     14.92011743      8.98527336    -15.19260424
  O     14.26586711      9.68126026     -8.37982156
  H     16.37665530     11.07744773    -11.85749718
  H     11.60007777      8.92605617    -13.52301748
  O     15.03359504      6.99598786    -11.24101894
  H     17.54700692     11.79179612    -14.96556469
  H     10.42039061      8.42238120    -12.65771217
  O     14.70178407     11.03286203    -12.62573254
  H     16.45743033     10.71539750    -15.24950170
  H     17.27159906      8.45137715     -9.42135236
  O     16.41026182      7.72699591    -17.75643207
  H     13.30127964      5.79835977    -14.67805780
  H     17.98396999      7.81821349    -10.62400739
  O     18.47195727      9.41468695    -16.65590733
  H     12.87052289      4.97065519    -15.91103021
  H     13.71705011      6.25699951    -12.35922446
  O     16.28469116      5.79463971    -15.87403022
  H     13.83566374      9.05236113     -7.80518000
  H     12.40182222      6.86672494    -12.89139774
  O     20.11432235      9.48553759    -14.47905466
  H     13.86737258      9.55732154     -9.25654015
  H     19.36637905     11.19753551    -13.88814748
  O     14.79019158     13.03653123    -16.38195270
  H     14.49951488      7.79069867    -11.11379806
  H     18.35046430     11.72775984    -12.85143577
  O     15.55290377      9.30847508    -14.54011376
  H     15.81651369      7.09942372    -10.67988850
  H     19.26918035      8.85360404    -12.96267651
  O     11.37218321      8.43962665    -12.71009154
  H     14.97977460     10.37085042    -13.28005865
  H     18.18362474      9.42891092    -12.01585045
  O     17.37236131      7.62160463     -9.90242005
  H     14.14250667     11.65399880    -13.10536961
  H     15.96333070     10.09509502     -8.59885731
  O     13.02020518      6.13623839    -13.01671842
  H     16.43699543      6.99440559    -17.11330375
  H     17.28688134     10.63880267     -8.01253641
  O     18.79027403     11.94446318    -13.68451117
  H     16.59068821      7.34633324    -18.61235592
  H     12.61385148      9.01214417    -11.45959723
  O     18.67194033      8.62307827    -12.23983841
  H     17.98423764     10.23010351    -16.47614601
  H     13.84100475      9.95755897    -11.49336271
  O     16.90315364     10.25018192     -8.79458214
  H     17.82668608      8.81042095    -17.03894048
  H     13.63334706     12.69634383    -15.13486437
  O     13.38878605      9.29005942    -10.95648512
  H     16.55386568      6.14145896    -15.01125321
  H     12.45493499     13.19349645    -14.26738097
  O     13.03092961     12.44722335    -14.41195131
  H     15.34387178      5.59542161    -15.79230158
  H     13.66235939      7.40591282    -16.27536729
  O     13.88851147      8.30793755    -16.54482314
  H     21.01881655      9.38439568    -14.76360065
  H     14.67299870      8.23270571    -17.10347705
          69
 Energy    -247.98142635800997     
  O     16.76395975     11.96789855    -10.28494229
  H     17.39118266     12.51403145     -9.81913485
  H     13.81141403      7.61659203    -13.76788882
  O     12.80550030      6.27532592    -10.88196222
  H     17.24051441     11.16209194    -10.55446486
  H     15.30547120      4.90004122    -15.37332891
  O     16.21263427     10.03612992    -15.76862812
  H     13.36564959      5.55604929    -11.19383351
  H     14.18484662      5.65363503    -14.57913937
  O     17.35480112      8.84319559    -13.58089869
  H     13.39416970      6.89815218    -10.43146014
  H     16.42091410      5.81381178    -14.02507022
  O     15.19406175     12.55341688    -15.03913169
  H     15.37368911      9.59448003    -15.96023808
  H     17.56104626      5.82402374    -15.00925114
  O     14.64896204      8.12701275     -9.93898415
  H     15.98070638     10.94994075    -15.55914474
  H     14.73771705      8.46287470    -11.72067035
  O     13.73696208      8.78101662    -16.51800947
  H     17.06563671      9.29695545    -14.38632026
  H     15.63590810      8.82252387    -12.94396298
  O     12.74057602     11.10104974    -15.42729200
  H     17.45104699      7.90535782    -13.79034912
  H     15.19611203     11.20234284     -9.56249740
  O     16.58972160      5.22253470    -16.74886349
  H     15.17050424     12.64471651    -14.06968537
  H     13.67808030     11.26241232     -9.80302388
  O     11.07757290      7.50670776    -12.55553551
  H     15.37008968     13.42202981    -15.39087372
  H     14.61749865      4.36466491    -12.86633703
  O     17.12115415      5.39952390    -11.35701574
  H     15.54276181      7.87097601     -9.68247308
  H     14.38567948      3.29250756    -11.77841042
  O     13.21697200      7.10897104    -14.34405978
  H     14.50360630      9.03756261     -9.63879057
  H     13.23921865      9.70760227    -12.76154958
  O     14.81772335      4.91952573    -14.54034164
  H     13.47947151      8.14385496    -15.83918467
  H     11.75903701      9.27815044    -12.69908226
  O     17.34625550      6.08529845    -14.10832162
  H     13.29229605      9.61058855    -16.28966962
  H     17.30115634      6.62980286    -10.15472939
  O     14.72540301      8.67678080    -12.66346204
  H     13.50714467     11.67766398    -15.31898455
  H     17.78277848      7.03738864     -8.74160052
  O     14.36222877     10.77236990     -9.33199604
  H     12.49880827     10.80872201    -14.53948705
  H     17.84250370      8.90571712    -10.48161547
  O     14.57054638      4.22030660    -11.90611878
  H     16.41826278      6.11784490    -17.09102613
  H     17.88432200      9.43202185    -11.93730521
  O     12.33187785     10.04908897    -12.78796753
  H     16.87243557      4.69860870    -17.49318932
  H     16.56740650      8.50505388    -17.19603259
  O     17.32576203      7.36186632     -9.51289133
  H     10.19066399      7.19020364    -12.41032738
  H     15.15574614      7.99935165    -17.43021016
  O     17.99783185      9.69495230    -11.01341091
  H     11.64902273      7.05536048    -11.90627145
  H     15.68993493     12.53541068    -11.69970404
  O     16.08475763      7.76128690    -17.57021664
  H     16.26690645      4.95847846    -11.44294751
  H     14.17478387     12.68415172    -11.93017598
  O     15.03187780     12.78368350    -12.36073584
  H     17.41877684      5.58751023    -12.25519011
  H     12.38194139     11.41908583    -11.68231950
  O     12.56098230     12.15886825    -11.07666053
  H     12.35665768      7.13453959    -13.91037917
  H     11.74658342     12.64646717    -10.98707863
          69
 Energy    -247.98131700652780     
  O     15.42287236     11.60201624    -11.82321566
  H     15.08231704     11.82408878    -10.94913732
  H     12.10642108      7.64345133    -10.51020290
  O     18.55736412      8.47421345     -7.74042515
  H     16.21169258     11.06587934    -11.67543441
  H     12.32098941      6.05633323    -15.17403993
  O     15.85430601      5.55650189    -11.11817938
  H     19.05912792      8.45511178     -8.56472635
  H     13.18651729      7.08247670    -14.41026603
  O     12.58105349      4.87178635     -9.60389786
  H     17.89571945      9.16985781     -7.84920106
  H     14.92497853      8.27811068    -13.89711161
  O     18.47274592      5.74183279    -10.13024980
  H     15.53413253      5.72309750    -10.21893824
  H     14.01535611      9.39363841    -14.44509306
  O     17.59527294      5.95203495     -7.40089928
  H     15.13535485      5.12106696    -11.59136276
  H     19.27877691      7.27183901    -10.36539434
  O     17.47961692      9.79098484    -11.01988702
  H     13.37350427      5.13193174     -9.11703900
  H     20.57143257      8.06422799    -10.67455325
  O     14.60073537     12.26160098     -9.11334045
  H     12.86904995      4.70401783    -10.50910189
  H     14.67855468      6.89068656     -8.33342538
  O     10.80886327      9.94364833     -9.58237829
  H     17.64943521      5.56775405    -10.60516801
  H     15.83514806      5.90254295     -8.03475076
  O     16.45817224     10.21280825     -8.44839111
  H     18.25106559      5.66237439     -9.19416488
  H     12.29012790     10.70823641    -12.88081536
  O     13.60118281      8.62159488    -10.96229854
  H     17.92870136      6.86626448     -7.43826237
  H     11.29128375      9.53758929    -12.58489346
  O     11.27637632      7.23357882    -10.22406506
  H     17.95620847      5.55977187     -6.61025685
  H     11.25061227      7.31617093    -13.38872670
  O     12.61410707      6.30128596    -14.29960151
  H     18.31514761      9.31818990    -10.91654236
  H     10.66459854      7.54227748    -11.98496350
  O     14.21221809      8.45431023    -14.52961898
  H     17.13575999      9.92042558    -10.12456290
  H     12.07063079     11.11796060     -6.98103657
  O     19.67036575      8.16396300    -10.37997521
  H     14.51254413     13.19296477     -8.92228263
  H     11.87272181     10.58810996     -8.42161316
  O     14.99560175      5.99235220     -8.50294186
  H     13.85410667     11.81968175     -8.67930686
  H     13.40526666      3.65981343    -12.71275299
  O     11.72940401     10.31571601    -12.20248409
  H     10.78121080      8.97913886     -9.64193700
  H     13.19919749      5.16031050    -13.00274563
  O     10.65100234      7.88271081    -12.89073185
  H     11.00778849     10.25017310    -10.47809071
  H     13.84221267     11.95554131    -14.53541273
  O     12.53920675     10.90439682     -7.78321748
  H     16.00973243     11.05570322     -8.57929594
  H     14.38097136     11.38067924    -13.20489967
  O     13.53899635      4.53180127    -12.34690404
  H     15.74534057      9.56447194     -8.34512153
  H     13.99955703      8.64724473     -9.27340089
  O     13.75579668     11.22025264    -13.93458164
  H     14.35052034      8.42665900    -11.53615260
  H     13.59249916      9.29045030     -7.93166089
  O     14.19351406      8.64644748     -8.32056472
  H     13.04890921      9.28009173    -11.40324474
  H     15.98410902      7.12133247    -11.99943258
  O     15.90445162      7.98754981    -12.42166081
  H     11.53306834      6.36144953     -9.89846917
  H     16.50652044      8.59525088    -11.97326285
          69
 Energy    -247.98105671743050     
  O     10.45858747     10.96986033    -10.94284597
  H      9.65605131     11.07275858    -10.43851548
  H     11.72198578     10.90948467    -17.50578573
  O     14.60992472     10.79708246    -12.92805401
  H     11.19148696     11.24719400    -10.36404413
  H     14.16524340     14.30130413    -15.77549746
  O     17.32729559     13.77079505    -13.86878167
  H     14.33393291     10.06758585    -12.36215276
  H     14.98919359     13.03825767    -15.43706803
  O     15.61528099      7.31318138    -12.93872902
  H     15.54913770     10.95662535    -12.75517576
  H     14.02192045     13.83611865    -11.09492745
  O     11.31621847     12.05182904    -13.37520146
  H     16.51704197     13.96207781    -14.36425571
  H     14.23630505     14.87399380     -9.96810509
  O     12.63553125     14.47496123    -16.84407408
  H     18.00728667     14.31175528    -14.26398689
  H     17.06506646      8.98676882    -15.25173968
  O     14.96608227     11.27562694    -15.66323488
  H     15.07763705      7.42882076    -13.73317315
  H     15.70473035      8.57126921    -15.85179580
  O     14.61964496      9.88729869     -8.93722652
  H     16.43467442      7.79778402    -13.09819628
  H     15.68037175     12.69979068     -9.97003504
  O     13.69815977     13.34979462    -12.75837392
  H     10.92704890     11.73209589    -12.55168818
  H     15.81042755     11.22611065     -9.55248341
  O     17.89935115      8.94081806    -13.52733412
  H     12.07498870     12.59990044    -13.13511536
  H     11.48792939      9.81594415    -15.61357628
  O     12.53973852     11.75170508     -9.40597460
  H     12.30193454     15.21711744    -17.34111693
  H     11.83721064     10.47763030    -14.26797425
  O     10.88255856     10.49499022    -17.23162339
  H     11.86009432     14.02145391    -16.46736612
  H     13.33518966      8.52921212    -15.05299609
  O     14.87954328     13.97742779    -15.21365440
  H     15.61832107     10.61319755    -15.93066801
  H     13.57017721      7.14098950    -15.67592501
  O     14.20830540     13.93755089    -10.14569928
  H     14.69456854     11.03114312    -14.76871096
  H     13.06835849     12.73322164    -17.63055713
  O     16.51293132      9.06693117    -16.03984058
  H     14.76600974      9.25113806     -8.24252199
  H     13.82756504     11.51525350    -17.08013342
  O     16.29174256     11.95376887     -9.96624144
  H     14.40508171      9.38154318     -9.74199677
  H     10.98969636      9.31289598    -11.72962222
  O     11.91450967      9.65050705    -14.76300716
  H     14.06915654     13.72673657    -13.56564606
  H     11.45942163      8.79575229    -13.10600454
  O     14.01555718      7.86280575    -15.23693597
  H     14.00215273     12.42714658    -12.72420219
  H     17.05257660     11.59606580    -11.52580213
  O     13.19210014     11.78571123    -17.75841966
  H     17.74995859      9.81339065    -13.12642912
  H     17.36509778     12.21511718    -12.93279314
  O     11.40496888      8.56090793    -12.17118261
  H     18.81470132      8.72233693    -13.37044764
  H     10.47992944     12.20186746    -16.36973294
  O     17.27739825     11.38406084    -12.44531082
  H     13.19858304     11.09518557     -9.14719284
  H     10.69981433     12.75079771    -14.95216616
  O     10.54798072     13.02282547    -15.86832208
  H     13.03298747     12.56360312     -9.57282135
  H     14.55828914      8.06157696    -11.74620121
  O     13.97462590      8.63941856    -11.23253044
  H     10.47284476     10.15140577    -18.02033471
  H     13.06017434      8.49409760    -11.51460253
          69
 Energy    -247.98104366305830     
  O     -3.92022159     -1.12962115      1.28839677
  H     -4.20164333     -0.25757003      0.96832136
  H     -2.27635892     -2.37155310      3.80325537
  O     -0.80202172      2.77489010      1.88970409
  H     -3.64620150     -1.61805436      0.50188984
  H      2.92720678     -1.55518622      2.22818398
  O     -0.64363976     -1.33013373      4.29595174
  H     -1.53370379      3.30000629      1.54451054
  H      2.38733850     -0.40055409      3.13215662
  O      2.25336241     -3.26045425     -0.66808392
  H     -1.15475517      1.88565821      2.04886060
  H     -0.27166978     -2.55900623      0.28631756
  O     -2.27842928      0.37759254     -1.84440120
  H      0.11471288     -0.83962205      4.63374166
  H     -0.87569229     -3.96476434      0.58731251
  O     -4.11642117      1.32685865      0.13545722
  H     -1.03934824     -0.74576613      3.63134753
  H     -0.95531097     -0.20151328      1.67928538
  O     -1.61063260      3.19833619     -1.70698350
  H      1.30827760     -3.45026653     -0.62932936
  H     -2.48317979     -0.14558583      1.92849836
  O      0.86383295      2.59398723     -0.39887489
  H      2.58134036     -3.36749432      0.23369035
  H     -2.09413887     -2.73294318     -0.86021640
  O      3.00661098     -0.94284292     -1.90059917
  H     -1.31582929      0.29460865     -1.91538282
  H     -3.38158322     -2.94842530     -1.68669046
  O      0.47682866      0.24268553     -1.77943721
  H     -2.59300395     -0.52440995     -1.71079255
  H     -1.93130334     -5.71475342      2.22893810
  O      0.29381368     -0.92861348      0.74795091
  H     -3.50302206      1.07216156     -0.56773258
  H     -2.09723638     -4.19943527      2.50192794
  O     -2.90266341     -2.88596525      3.28090591
  H     -3.86265719      2.22022921      0.38862650
  H      2.02437899      3.23368248      3.20670296
  O      2.64702292     -0.63040277      2.23172105
  H     -1.90122428      2.30457766     -1.92729183
  H      0.56344548      2.78808853      3.04970967
  O     -0.58283755     -3.38154321     -0.12508201
  H     -0.69211767      3.11953086     -1.41742434
  H      3.68508121     -3.99711459      2.45884528
  O     -1.63875160      0.20010673      2.24006488
  H      0.34439485      2.64140550      0.41497736
  H      2.21206822     -3.52186601      2.54320492
  O     -2.93132490     -2.31986264     -1.12716307
  H      1.73159777      2.22784896     -0.16856834
  H     -0.00722550     -4.17080827      2.93753172
  O     -1.53433546     -4.86429662      2.06377452
  H      2.77241826     -1.78760387     -1.47758942
  H      0.25180020     -2.84150734      3.67412698
  O      1.35706431      2.67228627      3.59569596
  H      3.61216485     -1.15049725     -2.60737410
  H      1.54709025      1.12789567      4.39855244
  O      3.05873521     -3.38866707      2.07676123
  H      0.64936990      1.11082647     -1.38251946
  H      2.15685657      0.34931998      5.58688256
  O      0.69159332     -3.62101029      3.30988080
  H      1.33027403     -0.14943211     -2.00102816
  H      3.25390628      0.50624284     -0.58846361
  O      1.69697443      0.23573058      4.75886091
  H      1.12523461     -0.82427420      1.22736412
  H      3.08721284      0.62065227      0.93027653
  O      3.15508314      1.14939967      0.12375665
  H      0.38637430     -0.50901827     -0.11723356
  H     -2.52103787      3.78167449     -0.32427170
  O     -2.95496346      3.95940039      0.53001544
  H     -3.36251067     -2.26719257      2.69749007
  H     -3.40779873      4.79345027      0.44052764
          69
 Energy    -247.98102746800072     
  O     14.95628262     10.17546299    -16.15967001
  H     14.21833458     10.07600004    -15.53974091
  H     18.41370281      5.22037595    -12.66924591
  O     16.83651546      5.14764075    -13.44625671
  H     14.75801171      9.66474784    -16.95305315
  H     18.33096844     11.03710705    -16.83456859
  O     17.44072997     13.16820781    -10.60952261
  H     16.28195303      5.84427747    -13.07739143
  H     19.44267341     11.07375957    -17.91201015
  O     19.48046451      9.11590698    -14.93985174
  H     16.95302587      5.36494843    -14.37917996
  H     16.32126747      8.27432261    -13.96986740
  O     14.58763700      6.35158430    -16.47440206
  H     17.56158019     14.07110727    -10.32532978
  H     16.17473045      9.15940585    -15.24552924
  O     17.85252609      9.53448701     -9.01333247
  H     18.25071101     12.68862452    -10.37278587
  H     13.62938191      9.93551352    -13.39542547
  O     15.45131349      7.53241925    -12.48720303
  H     18.53225518      8.94439265    -14.81725504
  H     13.04953473      8.71311012    -14.14275431
  O     17.17847777     11.74054381    -13.05440654
  H     19.54089874      9.60725065    -15.76745732
  H     18.53663687      6.98356504    -11.50832791
  O     19.91957442      6.32248462    -14.97184828
  H     14.51406684      7.02476889    -17.16279869
  H     17.12553849      7.62498379    -11.57592400
  O     13.34164100      6.78221360    -14.10114337
  H     15.51809436      6.09777184    -16.45876558
  H     19.64456028     11.01240620    -10.97012395
  O     17.40997006      6.25205660    -16.07500114
  H     18.53550382     10.17574369     -9.23803520
  H     20.58942884     11.61448269     -9.90308482
  O     19.27085909      5.46024269    -12.27315614
  H     17.93089552      8.82797433     -9.66699196
  H     19.55327012      9.73946578    -13.24935368
  O     18.97523389     10.48987662    -17.32103399
  H     15.26294989      8.45319546    -12.24035107
  H     18.84775158      9.20832295    -11.96916404
  O     16.78013937      8.58502890    -14.75746887
  H     14.66741760      7.21071152    -12.95583865
  H     16.08558983     11.91568697     -9.85226411
  O     13.13621977      9.67250289    -14.18463920
  H     17.89740130     11.11976260    -12.87402363
  H     16.29636652     10.50381303     -9.29084998
  O     18.02628508      7.76573020    -11.26036024
  H     17.18241354     12.37042186    -12.32308336
  H     17.63785660      7.48722364    -17.64656333
  O     19.67249005     11.54634849    -10.15678130
  H     19.95235007      7.28903906    -14.95517430
  H     18.00788547      8.96469143    -17.94403953
  O     19.28321471      9.98310216    -12.35382066
  H     19.87430203      6.04203037    -14.05071131
  H     15.68746845     10.69744105    -12.57828567
  O     15.61506927     11.10660342     -9.62354527
  H     12.63236405      6.15289553    -13.99967214
  H     15.06009191     10.46219347    -11.18996367
  O     17.45063737      8.23024887    -18.23052854
  H     13.75461212      6.60426809    -14.96475189
  H     16.29366699     11.41546193    -16.07220396
  O     15.01353891     10.18262844    -12.11617918
  H     18.33645026      6.12774072    -15.81762469
  H     17.18226449     11.94065630    -14.93220748
  O     17.13526527     11.85910091    -15.89288124
  H     17.13168748      7.08704569    -15.66307374
  H     15.72831070      8.39750044    -18.42332094
  O     14.75633801      8.45649388    -18.37857902
  H     19.61462741      4.67202491    -11.86024854
  H     14.44085741      8.54120131    -19.27402369
          69
 Energy    -247.98091650448066     
  O     11.78466697     13.07764737    -13.83935418
  H     11.85927671     12.19580763    -13.44049868
  H     17.96527152     12.64741193    -14.93777867
  O     19.11278349      7.28388779    -10.13300601
  H     10.91306929     13.12141078    -14.22446249
  H     12.87843574      9.19820775    -16.21704465
  O     16.91031179     10.27660755    -11.63902535
  H     19.09899021      7.16029343     -9.18779307
  H     12.88837543      9.20180887    -17.76171216
  O     12.14223800      8.59727915    -14.73696934
  H     18.18310659      7.32947532    -10.41183537
  H     15.63405762     10.56218139    -12.91582270
  O     16.21528434      6.69526000    -13.74498570
  H     16.80612108      9.34893448    -11.39237040
  H     14.90967803     11.49487945    -13.95289147
  O     13.49772247      6.64496882    -13.12219965
  H     17.73413099     10.34584199    -12.13845006
  H     14.45604770     11.13087630    -16.98959488
  O     14.43535607     13.17242918    -14.56329524
  H     12.00580753      9.28207901    -14.06868039
  H     14.77152380     12.41954785    -16.18972725
  O     18.25520282      9.41596693    -15.70223340
  H     12.58348362      7.87722363    -14.26973780
  H     13.59573992      7.67507810    -11.40439603
  O     16.56872807      7.56145650    -11.10439008
  H     15.93321564      7.36208505    -14.39012174
  H     13.60810662      8.87534852    -10.41516094
  O     17.75599823     11.99427167    -16.72908475
  H     17.16094320      6.57496529    -13.91418423
  H     21.48853047      7.86564797    -12.16563787
  O     18.89373857      6.95050529    -14.34939152
  H     13.16824827      5.75723296    -12.99540518
  H     20.10385748      7.79617917    -11.48001336
  O     18.08995249     12.83850145    -14.00031570
  H     14.44156803      6.55494578    -13.32863990
  H     16.48289389     15.01560211    -12.38160096
  O     13.37889791      9.49469132    -16.99830240
  H     13.49928854     13.26001263    -14.33112139
  H     16.90125464     13.69149035    -13.06091116
  O     14.97474210     10.58956130    -13.62117615
  H     14.95322607     13.65324518    -13.90606090
  H     15.46217485     12.96559698    -11.20435360
  O     15.05698730     11.88209358    -16.94306576
  H     17.33231029      9.12254128    -15.67961020
  H     15.93164350     11.56122392    -10.81201300
  O     13.93949032      7.98101812    -10.55685817
  H     18.23611238     10.26694647    -16.15758798
  H     13.83585869     11.28967423    -10.25755737
  O     20.56916321      8.09064485    -12.28212693
  H     15.66622911      7.66323496    -10.76670631
  H     12.70217131     10.95052903     -9.26275195
  O     16.17101293     14.14037950    -12.59641715
  H     16.49466302      7.23160772    -12.00997969
  H     18.86014002     10.00294509    -14.08581807
  O     15.26373398     12.23363224    -10.61063798
  H     16.79185901     11.93130695    -16.85267466
  H     19.75962033      9.67464101    -12.87005036
  O     13.07852118     10.69719376    -10.10123280
  H     18.09583125     12.47386716    -17.47996211
  H     13.25839497     10.51671301    -13.08787239
  O     19.17442743     10.34810752    -13.23661954
  H     18.82056558      7.70055909    -14.95350158
  H     12.39928638     10.61988107    -11.81573424
  O     12.34039035     10.57604841    -12.77780647
  H     19.50859482      7.23284635    -13.66246913
  H     15.37344175      9.38238712    -14.80837295
  O     15.58936330      8.71305475    -15.47867702
  H     18.59281354     12.09358250    -13.64769909
  H     14.92615568      8.81698016    -16.16852892
          69
 Energy    -247.98086158650204     
  O     16.45290859     11.43002217    -16.20032670
  H     15.62724219     11.03694295    -15.88026451
  H     16.04590376      4.26805016    -16.31247996
  O     13.54924197      5.79853855    -15.72889044
  H     16.91925634     10.76680956    -16.72439171
  H     19.99260801      6.46326873    -15.51107141
  O     18.65107324      7.37516448    -12.17932694
  H     14.04166660      5.08750612    -16.15778418
  H     19.42839329      6.26899153    -16.95160918
  O     18.76320628      6.94912147    -18.65494048
  H     13.64086550      6.56036946    -16.31222296
  H     18.36039629      8.65638609    -17.92403023
  O     16.15555606      6.11708591    -18.63315127
  H     19.42112801      7.37129805    -12.75874214
  H     17.55126869      8.73629588    -16.62879434
  O     14.76029576      8.77745132     -9.84050617
  H     18.08315945      8.09445920    -12.50042348
  H     16.77158716      6.81721046    -15.39002848
  O     14.27814997      6.38875904    -13.12787156
  H     19.16294198      6.71528683    -19.48867412
  H     16.72021699      8.23115255    -14.69728177
  O     17.00491075      9.25927118    -13.22072907
  H     17.84834543      6.61702232    -18.68288891
  H     13.86071512      9.46021180    -15.70406474
  O     17.16841293      4.98708042    -15.22226083
  H     15.89959269      5.29542870    -18.19410964
  H     14.08833016      9.94359102    -14.26549586
  O     13.75716099      6.12556369    -10.37858320
  H     15.51995696      6.77272027    -18.32824436
  H     15.18067440      5.18299319     -9.99242080
  O     19.86234358      9.97288075    -15.27214692
  H     14.66389173      9.31084975     -9.05606283
  H     15.96389260      4.05433221     -9.27701956
  O     15.37725039      3.97822731    -16.96040034
  H     15.64583424      8.37459000     -9.79787356
  H     21.61000676      7.66678049    -14.03430966
  O     19.57598446      5.82820660    -16.10633270
  H     13.97204034      6.13506613    -14.00976967
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  H     15.21045569      8.00515701    -16.60292860
          69
 Energy    -247.98063519252725     
  O     -6.08249953      1.38212595      0.60668823
  H     -5.37930761      1.99511887      0.33929912
  H      1.77885186      2.39669782      4.19535154
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  H     -1.53073353      4.86504201     -0.41753988
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  H     -3.41595494     -0.56818993      3.94102359
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  H     -6.61402671     -0.31313198     -1.80470619
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  H     -7.69037920      0.56569811     -2.48694699
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  H     -4.10118739      3.40068444      3.36778879
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  H     -3.80571689      4.70014520      4.14732254
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  H     -1.83240204      3.78242929     -2.64712959
          69
 Energy    -247.98031710211609     
  O      9.54368529    -14.00591265      0.91900215
  H      9.10512099    -13.46944710      0.24035911
  H      9.08326668    -11.61438663     -0.69270174
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  H      7.85352579     -9.77383325     -2.93865751
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  H      7.81772179    -11.65703640      4.47130588
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  H      6.20957080     -9.80503816      3.56255258
  H      8.24729634    -12.38678181      5.76438323
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  H      4.98530695    -11.04115767      1.08620698
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  H     10.29950816    -12.86620119      2.32431070
  H      4.35959875     -9.79373242      1.74678827
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  H      8.68396220     -5.36249310      3.69606396
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  H      8.66509545     -6.74512900      3.00062471
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  H      9.58113765     -5.51837715      1.36606313
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  H      9.56176883     -5.61633262     -0.16853815
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  H      8.14278172    -14.31691259      2.20030450
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  H      8.70826849     -7.62086015     -2.68998559
  H      7.68395740    -13.76420250      3.56447048
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  H      5.12777683     -9.45713603     -0.35871840
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  H      8.30676259     -9.15656756      3.24338875
  H      6.06894104     -9.51267753     -1.62388125
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  H      9.75894125     -8.90207081      2.71220930
  H      7.34974452     -6.09727474     -1.27131505
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  H      8.37146339     -7.12888643     -0.76648196
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  H      7.10547544    -12.03035811      0.57914460
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  H      7.83858750    -11.79835962     -1.56315915
  H      6.65513826    -12.85474593      1.81836539
          69
 Energy    -247.98012343385614     
  O     16.14774033      8.45079654    -15.47965863
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  H     14.04930899     10.88017711    -14.55505840
  H     15.72749097     12.46923972     -9.66982690
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  H     18.21360419     16.10781991    -13.45483852
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  H     18.94087018     17.27020936    -12.74237710
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  H     20.50049781     10.57915540    -12.26554063
  H     20.04853051     11.41143087    -16.15140643
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  H     15.81727281      9.12062706    -11.30329547
  H     21.25992937     12.09835443    -15.47612230
  O     17.82545609     14.47374555    -16.65418104
  H     15.04643932     10.42275330    -11.19995498
  H     15.07720322     13.57312208    -17.78071399
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  H     19.38939347     15.34345933    -16.17746512
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  H     17.24969724     14.92374660    -14.97358105
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  H     21.27713376     14.44592952    -15.22608689
  O     20.90235991     11.23946412    -15.73218853
  H     18.04554825     13.53448872    -16.73386064
  H     22.72538180     14.02643821    -14.87836990
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  H     16.98314039     14.59845942    -17.10998394
  H     21.53717476      8.82624911    -13.83610407
  O     20.17265498     15.68706681    -15.72487351
  H     20.78617751     13.71081575    -13.24458138
  H     20.86640131     10.05204695    -14.50396369
  O     16.83153583     15.20195324    -14.14609260
  H     19.92833572     14.77881873    -12.55640119
  H     17.42164645     10.56929003    -13.92565200
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  H     17.85531362     11.09268334    -17.18037902
  H     17.31215469     12.05299153    -13.45942941
  O     20.79983050      9.42565684    -13.76076435
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  H     14.22815262     13.58672152    -14.84160222
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  H     14.18952361      9.22381207    -13.05843334
  H     14.50068105     14.64725492    -15.92145200
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  H     13.00698084      8.60563471    -13.83942205
  H     17.14933504     14.02079313    -12.82809987
  O     17.47251200     13.36006139    -12.19875963
  H     16.83387158      9.10184073    -18.48661248
  H     18.43661544     13.42440628    -12.19992483
          69
 Energy    -247.98006816197125     
  O     12.13138845      9.63397134    -15.42123564
  H     12.70371715      9.09927275    -15.98882734
  H     19.30799425      8.83739500    -15.16178262
  O     16.82147854      6.28535113    -13.52342209
  H     12.59808865     10.46699735    -15.28480543
  H     16.58377191      8.83610082    -15.21939617
  O     17.02822013     10.36487556    -11.49466282
  H     16.11554648      6.12759737    -12.88310798
  H     16.02489740      7.74669948    -14.28812964
  O     16.24567603     11.75994899    -15.89359407
  H     17.48054675      6.83377066    -13.07385883
  H     10.42316125      7.71883621    -13.60148775
  O     14.18885451      5.35166400    -16.48362282
  H     16.16900724     10.40741648    -11.93973616
  H     11.60491579      8.51100362    -14.20788856
  O     13.68029062      8.97358104     -8.84034207
  H     16.84575732     10.19504031    -10.56279642
  H     17.64316679      7.19989743    -10.66933028
  O     14.79513211      6.24141421    -11.60852919
  H     16.59383121     11.37775231    -16.70455831
  H     16.78800812      7.77700797     -9.53468554
  O     14.67061550     10.29982506    -12.93029993
  H     16.93469418     11.66623390    -15.21827204
  H     12.58398191      6.38319846    -13.85141356
  O     17.17985858     10.37055782    -18.26157276
  H     13.88173513      5.41814704    -15.56109564
  H     13.76867079      5.70794100    -13.13151517
  O     18.08949803      8.51201341    -16.36942687
  H     13.84301072      4.53266943    -16.82753352
  H     17.84609871     11.15024478    -13.03864287
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  H     13.40157196      8.82989319     -9.75932239
  H     18.85494151     10.67738355    -14.09550027
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  H     13.14392199      8.38938132     -8.30975430
  H     17.97489498      8.85798826    -11.96490058
  O     15.80456581      8.58978291    -14.70639909
  H     15.50838464      6.37535956    -10.96613288
  H     19.10399866      8.34678870    -12.88389701
  O     11.36841336      7.83240460    -13.55032424
  H     14.23079263      7.02266662    -11.54059599
  H     16.62467864      9.88400592     -8.02449121
  O     16.95756296      6.96723464    -10.03045222
  H     15.08011957      9.68780825    -13.56432453
  H     15.39132912      9.38737658     -8.81384120
  O     13.26549747      5.70804034    -13.95480136
  H     14.27769878     11.00041978    -13.46216286
  H     13.86927836      9.97027063    -19.34750641
  O     18.16320920     11.32871417    -13.93279275
  H     16.29922341     10.11618392    -18.58774186
  H     14.40707226      9.05225309    -18.23671401
  O     18.48694351      8.06892572    -12.19620119
  H     17.63627044     10.78100402    -18.99144789
  H     12.42280639      8.29042911    -12.10108231
  O     16.34963199      9.54292845     -8.87170676
  H     17.82601783      9.06779822    -17.11218337
  H     13.66161812      9.20718325    -11.96385191
  O     14.67551739      9.61835343    -18.97924313
  H     17.74270414      7.61471018    -16.49523740
  H     14.61833286     11.90850418    -15.34787212
  O     13.13579502      8.53787857    -11.50021506
  H     17.07175594      5.90945854    -15.32805089
  H     13.48089687     12.89557010    -14.99886278
  O     13.72387553     11.97449896    -14.96423104
  H     16.12350949      5.71456766    -16.50997210
  H     14.63776564      8.31564482    -16.05670366
  O     14.03099936      8.10932879    -16.78332795
  H     20.79027492      9.00297210    -14.75090617
  H     13.98950994      7.14607908    -16.82715762
          69
 Energy    -247.97983914583943     
  O     14.26004335     11.69589548    -14.53926795
  H     14.78767498     12.20264073    -13.90981124
  H     16.44033798      7.95912153    -11.03029751
  O     17.10808416     10.38458386    -12.91524713
  H     14.88025199     11.11756677    -14.99923123
  H     14.74249057      8.31795920    -12.12073676
  O     10.86940229      7.89505238    -13.60905808
  H     16.83899345     11.30200230    -12.78430202
  H     13.42091953      7.50229689    -12.29024098
  O     18.67406094      6.03561187    -14.95922054
  H     16.75333262     10.11062673    -13.77416230
  H     13.01362108      4.97608402    -14.31350758
  O     12.00084172      6.18964376    -15.42448266
  H     11.17876421      8.80745573    -13.56193216
  H     14.47581456      4.71212030    -13.87268640
  O     16.85418239      6.27314708    -11.54236441
  H     11.07912420      7.50412702    -12.74899609
  H     19.64206758      8.41477411    -12.98885216
  O     13.64565970      8.22715381     -9.46684899
  H     18.70275155      6.87696677    -15.43077383
  H     18.83054756      9.71921112    -13.16963412
  O     18.78734544      8.72571725    -16.03129381
  H     19.09695498      6.19654061    -14.10682818
  H     13.66052827      7.10620353    -15.64248797
  O     14.98853240     11.50603702    -10.29216974
  H     11.54639129      6.80252226    -14.82021326
  H     14.33592803      7.75731576    -14.42536955
  O     12.30716587     10.59126166    -10.34355784
  H     11.35959925      5.92576233    -16.07902877
  H     15.53259680     12.48162769    -11.65098515
  O     12.41708827     10.26387774    -13.06605914
  H     16.51902895      6.03622454    -12.41934376
  H     16.17567456     13.75333964    -12.25692907
  O     16.06233248      8.84348056    -10.91757842
  H     16.25085177      5.90104966    -10.88267128
  H     15.58243094      8.95130636    -15.54593178
  O     14.05884479      8.06402104    -12.74949524
  H     14.51994088      8.42842154     -9.82547912
  H     17.04425598      9.40557571    -15.78427706
  O     13.55699450      4.46407168    -13.70326021
  H     13.12733532      9.03173628     -9.60469610
  H     18.58890433      6.50086576    -11.91625279
  O     19.60461230      9.23781302    -13.49235619
  H     19.16919538      8.95098469    -15.16354026
  H     20.08499116      6.19493000    -11.68889995
  O     14.47717990      7.53358871    -15.36166807
  H     19.42565593      8.98834074    -16.68961449
  H     12.46120343      7.25492509    -10.53807352
  O     15.89509226     12.86710966    -12.46824621
  H     15.42948320     10.64962176    -10.29248233
  H     12.18398811      5.86668864    -11.18249512
  O     16.18980950      9.69771375    -15.44172270
  H     14.04385535     11.31159488    -10.24145393
  H     16.99318391      5.60236890    -14.50488732
  O     19.48345058      6.67556145    -12.25235997
  H     12.26746859     10.52695928    -11.31336103
  H     15.59885053      6.25481320    -14.65519172
  O     12.01426830      6.81354557    -11.27255948
  H     11.48746802     10.98830233    -10.06022814
  H     14.23987254      4.98663534    -10.15315838
  O     16.09197779      5.59334075    -14.15156683
  H     12.91403958     10.86966815    -13.63370725
  H     14.43828543      6.31028441     -9.38945106
  O     14.91077811      5.55242304     -9.74779391
  H     12.98830725      9.48644412    -12.97487971
  H     12.47824542      3.29884152    -10.98427468
  O     12.86832873      4.15546324    -11.13245603
  H     16.47807392      9.40487852    -11.59155454
  H     13.12491302      4.19329995    -12.07284992
          69
 Energy    -247.97980688757588     
  O     14.23675049     14.48071229    -12.84149244
  H     15.08226630     14.55887303    -13.30470621
  H     12.37740387     12.60751420    -14.55235893
  O     13.80489345     10.85093277    -17.72319529
  H     13.56971085     14.52012285    -13.53628295
  H     14.08678249     12.60165654    -17.34212946
  O     14.54407152      8.53812801    -12.28378507
  H     13.10556489     10.38077929    -17.25558281
  H     15.29190959     13.51045246    -17.02904595
  O     18.66411983     13.87368834    -12.33030451
  H     14.62869176     10.43601574    -17.43527116
  H     13.19939849     14.10251829    -15.86290261
  O     12.13641287      9.46494079    -15.77942648
  H     14.15577718      7.72035928    -11.94985266
  H     11.95819809     14.97861455    -15.57118234
  O     13.03362594      6.26364399    -11.62828657
  H     13.90166078      9.24141541    -12.10504788
  H     18.87028963     12.14842747    -13.10884988
  O     12.59421372      5.99582331    -14.29394225
  H     19.34252152     14.50330533    -12.10028861
  H     18.05147440     10.86071923    -12.97224265
  O     15.37628121     11.62365333    -14.34406445
  H     18.11869123     13.74912641    -11.53386631
  H     13.95456711     11.80638750    -11.09819374
  O     12.69411844     10.56598834    -11.75036644
  H     12.92219314      8.93894511    -15.56879014
  H     14.47664433     13.15466982    -11.66454116
  O     14.41887704      8.02395781    -15.04375214
  H     12.20457371     10.28210884    -15.26315862
  H     15.75735879     10.51111942    -15.66903784
  O     18.64951887     11.12618893    -16.20884014
  H     13.09305765      5.43418158    -11.16306165
  H     17.00634647     10.08974200    -16.44470944
  O     12.61606334     11.71668369    -14.27152270
  H     12.88062860      6.05163748    -12.56695761
  H     10.90443834      8.41485663    -15.05661934
  O     14.33126983     13.48935278    -17.03802365
  H     11.76329528      6.46430189    -14.44535402
  H      9.52978249      7.70982891    -15.01625769
  O     12.55531115     14.35090172    -15.17438682
  H     13.28160354      6.54195529    -14.69939910
  H     15.97224712     11.13781831    -11.58955027
  O     18.73984197     11.27965119    -13.50688873
  H     15.72878449     12.52177177    -14.34589494
  H     15.95073807      9.65755189    -12.06087976
  O     14.69355164     12.42609035    -11.06019093
  H     15.75415931     11.18401333    -13.57147126
  H     17.37965371     14.11788980    -13.65719072
  O     16.07706628      9.87241778    -16.32809305
  H     12.54584393     11.01361334    -12.59586077
  H     16.94256654     14.10540544    -15.15734714
  O     10.36515580      7.77508416    -14.56091228
  H     12.01119290      9.88401342    -11.66764795
  H     10.71480320      8.19321074    -12.71156189
  O     16.48249953     10.46636941    -12.06319377
  H     14.54192648      8.22935182    -14.10585380
  H     11.62002021      7.61602301    -11.61267601
  O     16.62040110     14.17905614    -14.25078482
  H     15.09903897      8.50056508    -15.53617709
  H     16.17080189     13.17895431    -10.37211657
  O     11.04693122      8.36358676    -11.82134864
  H     19.47630743     10.75084821    -16.50007441
  H     17.12794869     13.44683827     -9.20233306
  O     17.05711203     13.50739326    -10.15177904
  H     18.68736019     11.15749534    -15.23515474
  H     17.75972142     12.65498700    -16.70749419
  O     17.29439181     13.48773432    -16.88293878
  H     13.58461049     11.68014007    -14.31584527
  H     17.71288692     13.87839559    -17.64688033
          69
 Ord_Energy   -247.979752    
 O   -1.18426621       8.52258682     -0.654709876    
 H   -1.91314554       8.78118992      -6.10987507E-02
 H  -0.907837689       9.31226635      -1.11173844    
 O  -0.656070530       5.39559317       5.80722284    
 H   -6.10061102E-02   5.51064539       5.05662584    
 H   -1.08598852       6.24646521       5.96041584    
 O   -5.57440567       6.47227859       3.33385396    
 H   -4.67087936       6.12229061       3.27931285    
 H   -5.71017933       7.00220776       2.54039788    
 O   -4.71950912       6.77743578       6.00120878    
 H   -4.91241121       5.87836885       6.29180479    
 H   -5.13410950       6.85563660       5.13167620    
 O   -1.92888618       7.88125515       3.36755562    
 H   -1.93151546       8.07253170       4.31114721    
 H   -2.31335115       6.99238777       3.28729105    
 O   -5.12511063       3.96499085       6.44093800    
 H   -4.22077417       3.79251838       6.12296724    
 H   -5.23063231       3.47511482       7.25224781    
 O   -4.44864130       2.04207087       2.38973403    
 H   -3.64027238       1.79440022       2.85308528    
 H   -4.96829748       2.61380744       2.97589278    
 O   -3.28885818       4.04078436      0.884148359    
 H   -3.90945435       4.58664894      0.383895010    
 H   -3.75710511       3.28509235       1.26079571    
 O  -0.100586548       7.02440357       1.48735118    
 H  -0.689254463       7.38276291       2.16968441    
 H  -0.280648172       7.54428005      0.694555402    
 O   -3.13138509       9.09122849       1.13315344    
 H   -2.78845119       8.79352283       1.98657370    
 H   -4.02737665       8.74196815       1.06159270    
 O  -0.720230281       4.56064272      0.108231783    
 H   -1.63142395       4.32632542      0.351166904    
 H  -0.516869962       5.38458347      0.570289135    
 O   -1.92343962       1.56282830       3.63619876    
 H   -1.24270689       2.08148217       3.16958928    
 H   -1.55587745      0.694307208       3.77731466    
 O   -5.44332117E-02   3.09044814       2.43080568    
 H  -0.194106996       3.42670894       1.53622329    
 H   0.370921791       3.81282139       2.90655065    
 O   -2.64881730       3.61200452       5.38723373    
 H   -1.88203073       4.15723753       5.62601805    
 H   -2.34415364       2.84632587       4.88554811    
 O   -4.79010677       5.81026793     -0.658052981    
 H   -3.99335718       5.90420103      -1.20114553    
 H   -5.39957333       5.16308975      -1.04271233    
 O   -6.90885353       2.67042470       1.17271054    
 H   -6.10912275       2.15714693       1.34607065    
 H   -7.05689430       3.13043284       2.00598979    
 O   -3.03271914       5.41647673       3.22726464    
 H   -3.04614973       4.91154623       2.40326476    
 H   -2.90374112       4.80275297       3.95903850    
 O   -2.28843093       6.12952137      -1.77088845    
 H   -1.93853688       6.99117804      -1.51080358    
 H   -1.68633354       5.48930597      -1.37370217    
 O   -5.68087626       7.84323835      0.881323636    
 H   -6.43654680       8.23835659      0.454068571    
 H   -5.38261175       7.11493158      0.307056516    
 O   -2.19559646       7.79503632       6.16396141    
 H   -2.16040230       8.41668129       6.88594294    
 H   -3.10590100       7.44900131       6.13920927    
 O   -6.18519926       3.78780651       3.79725599    
 H   -6.10757542       4.72463703       3.56730556    
 H   -5.99362469       3.74531341       4.74158049    
 O    1.06226730       5.51327848       3.49876332    
 H   0.745506406       6.06211090       2.76342916    
 H    2.00559878       5.65148401       3.55149269    
 O   -6.59821844       3.87386918      -1.29657567    
 H   -6.78074360       3.44732738     -0.442993402    
 H   -6.97419310       3.30414438      -1.96216619    
          69
 Energy    -247.97971012916526     
  O     14.91993318     12.49033481    -13.95667979
  H     15.77200868     12.42789913    -14.40623942
  H     12.05839854      7.89909145    -14.83203365
  O     14.39276727      6.96082405    -13.11773697
  H     14.25796862     12.13586177    -14.56091975
  H     18.17949020      3.63279811    -14.75962843
  O     18.62903307      7.56582001    -12.05168472
  H     13.99410175      7.59409084    -12.50907137
  H     18.47756400      5.14636947    -14.60631691
  O     18.79994384      7.93426628    -16.93624587
  H     14.87335834      7.49132041    -13.77371059
  H     16.56391552     10.21554353    -17.26530855
  O     12.83365639     11.27127418    -15.55155493
  H     18.66888304      7.80393412    -11.11725124
  H     17.61965912     10.99483541    -16.46089271
  O     16.14895438      9.90551595     -9.30573325
  H     17.93155385      6.89801996    -12.13156938
  H     15.42867203      8.94760170    -15.60257768
  O     13.32316522      9.06268837    -11.59518374
  H     19.43635051      7.91391637    -17.64695665
  H     16.11842613      7.57542607    -15.45523388
  O     17.55561868      9.72913084    -13.36931074
  H     18.35826672      8.79969270    -16.99177240
  H     16.30997880      5.91132911    -10.46975287
  O     14.01195979      7.27066578    -17.50846166
  H     12.40105927     10.67679293    -14.91910186
  H     16.94960352      6.84699542     -9.42610536
  O     14.03710002      7.93700952     -9.13895088
  H     12.14924218     11.82958059    -15.91484474
  H     12.19550197      9.37413878    -12.94351995
  O     16.58076211      6.22331379    -16.55593572
  H     15.93298976     10.36997554    -10.12566575
  H     10.73574630      9.51026213    -13.41998958
  O     12.44461630      7.08865679    -15.17869485
  H     15.38833714      9.34283191     -9.11785207
  H     19.40075127      6.99054430    -13.70361172
  O     17.76381102      4.48243739    -14.63893799
  H     13.42132881      8.67914540    -10.71446697
  H     19.35285441      7.14211408    -15.25507520
  O     17.51812384     10.32118658    -17.14324947
  H     14.05004553      9.69509415    -11.70603656
  H     16.94703100      5.08585904    -13.03453230
  O     15.83929461      8.35685813    -14.95855311
  H     16.97411267      9.24877723    -13.98046239
  H     15.79011115      6.01359603    -12.57204633
  O     16.16443712      6.31509143     -9.60416494
  H     18.03309566      9.05714124    -12.86805691
  H     17.58228652      8.90147772     -9.31691794
  O     11.64015877      9.53271000    -13.72507772
  H     14.80432786      6.75422819    -17.32199003
  H     18.86864629      8.41754094     -8.60644910
  O     19.53697536      6.52323636    -14.53768542
  H     13.40892750      7.12527544    -16.76415603
  H     14.04790562     10.35053541    -16.65250898
  O     16.62658362      5.61053193    -12.29225531
  H     13.57238120      7.63093979     -8.36473872
  H     14.42367289      8.99487155    -17.34913247
  O     18.29437142      8.23750263     -9.34583576
  H     14.74759909      7.29277694     -9.31064806
  H     15.17943065     11.49690960    -12.47695935
  O     14.76914862      9.85319879    -17.05318089
  H     16.88491337      5.51420139    -15.97593575
  H     16.21041375     10.36743525    -12.30337973
  O     15.45266325     10.78929944    -11.87605564
  H     17.36565252      6.72160839    -16.82509435
  H     17.71055505     11.24614892    -14.28423635
  O     17.62807584     12.02629713    -14.85968912
  H     13.04844670      6.79852880    -14.48276896
  H     18.30910983     12.63816237    -14.59034681
          69
 Energy    -247.97963560344203     
  O     -1.17007640      0.92885049      3.89869383
  H     -1.53598030      0.40527708      4.60698398
  H     -2.43926760      5.63499629      0.32781883
  O     -3.73483636      1.25513203     -2.25732191
  H     -1.57253314      1.81442792      3.96431323
  H     -1.12371537      4.59698655     -1.14546737
  O     -1.99082693      3.06917490     -3.62822636
  H     -3.78965458      1.64959509     -1.37836135
  H     -2.25492517      4.23491285     -2.10543970
  O     -4.42543330      4.25143395      2.32179615
  H     -3.22273932      1.87160166     -2.79563704
  H      1.85402302      3.53219944      4.25675514
  O     -0.37144267     -0.19410584     -1.16291402
  H     -1.98295859      3.28139424     -4.55838888
  H      2.30319102      4.73905910      5.11465618
  O      0.41425155      1.98907479     -2.78500823
  H     -1.12180350      2.68414335     -3.42453889
  H      1.27820870      2.30916388      1.31760398
  O      1.58944424      1.80795863      4.11149444
  H     -5.25281648      4.67539680      2.53178411
  H     -0.24165074      2.15625334      1.06509897
  O     -2.51256174     -1.17676794     -2.52626134
  H     -3.84066589      4.93852030      1.95101686
  H     -2.95280754      3.29598160     -0.23505350
  O      2.69369711      1.15262988      1.61320936
  H     -0.78612978      0.11572492     -0.34498557
  H     -3.92260645      3.06114405      0.94698756
  O      2.20923888     -0.69424454     -0.45923192
  H     -1.05706601     -0.64764525     -1.67422233
  H     -1.54568037      4.03800958      3.54676414
  O      3.47008862      4.85813153      1.78785474
  H      1.37632334      1.92275781     -2.68899533
  H     -3.03516254      3.65168520      3.46021038
  O     -2.58054996      5.90779080      1.24406984
  H      0.05970629      1.26378167     -2.25207292
  H     -1.45907628      0.76536947      2.06946180
  O     -2.08897340      4.58831841     -1.22383174
  H      2.05930255      1.46034668      3.34089661
  H     -2.26042283      1.41338088      0.87962163
  O      1.98377087      4.49751961      4.24941130
  H      0.69145607      1.46110382      4.05920347
  H      0.00464180      4.24435275      2.03862998
  O      0.47598545      2.80100607      1.10400318
  H     -3.10692007     -1.83436600     -2.87548976
  H      0.49464939      5.04447296      3.25503858
  O     -3.44262867      2.61033321      0.24249943
  H     -3.03100372     -0.35713089     -2.44824390
  H      1.26259110      5.80440195     -0.20560566
  O     -2.20156511      3.41734639      3.88589261
  H      2.52474843      0.42875603      0.99675840
  H      0.84194235      6.17073759      1.22477695
  O     -1.49732052      0.86296278      1.10986825
  H      3.38649236      1.69616945      1.21305852
  H      0.68475764      3.78531134     -0.34066768
  O     -0.19790647      5.02376426      2.58142762
  H      2.43510943     -1.60923406     -0.60475603
  H      0.66389759      3.63482234     -1.86046263
  O      1.49513756      6.36844096      0.54543729
  H      1.28034277     -0.58846585     -0.72877706
  H      5.35876319      2.96008428      0.17506782
  O      0.65434334      4.29988169     -1.16304960
  H      3.07894885      4.74205803      2.65989389
  H      4.10227953      3.63387743      0.76868396
  O      4.41127915      2.87457259      0.24155662
  H      2.89236767      5.47533384      1.31612593
  H      3.47753413      2.17690773     -1.32869430
  O      3.01361287      1.62905333     -1.97262973
  H     -1.74847994      5.75340971      1.70855405
  H      2.86695595      0.78458944     -1.52836894
          69
 Energy    -247.97954180508725     
  O     12.09827576     12.93699616    -12.34470432
  H     11.27419075     13.41224878    -12.28269012
  H     20.71781830      6.21257285    -14.64091900
  O     20.05217571      8.39439581    -10.26419837
  H     11.92554462     12.02561827    -12.04542288
  H     18.19362812     13.03260135    -16.79122036
  O     17.65411143     11.62999107    -11.83658170
  H     20.37672036      8.76111753    -11.10635567
  H     17.31006319     11.85861529    -16.31136798
  O     12.35147155      8.26075816    -13.43096116
  H     20.78177555      8.43145532     -9.65124219
  H     13.79191391     10.45514298    -15.27894742
  O     16.52021622      7.11542558    -11.68791645
  H     17.46957332     12.56113345    -11.66582550
  H     13.28567362      9.05649256    -14.90159336
  O     13.79267219      7.45343077    -11.25916394
  H     16.84941496     11.27081353    -12.24584755
  H     15.56929480      9.69311494    -13.28387616
  O     19.14925997      6.19405638    -11.88026314
  H     11.63696176      7.64583501    -13.58231874
  H     14.82667684     11.06627017    -13.37097825
  O     13.79150339     12.10047088    -14.44688739
  H     12.89046266      7.88243342    -12.71362053
  H     20.79075419      8.46256602    -13.30783323
  O     18.33736692      8.75632408    -15.32482805
  H     16.32062049      7.40764858    -12.59075117
  H     20.45333688      9.95952720    -13.18517149
  O     17.39601580      9.37276633    -10.18463899
  H     16.79187737      7.89757566    -11.18702470
  H     16.63138142     13.49647665    -14.88342528
  O     16.46510841     10.37458295    -16.72900920
  H     13.91127911      8.23367935    -10.70786730
  H     16.20478219     14.02631729    -13.48622445
  O     20.17241497      6.90951044    -14.28662629
  H     14.68747592      7.10548401    -11.37497331
  H     15.79762016     13.84183966    -11.21320801
  O     17.86148757     12.60168665    -16.00747921
  H     18.19288196      6.32649558    -11.82298717
  H     16.79426149     15.02410300    -11.14901859
  O     13.89286113      9.51624878    -15.49727799
  H     19.52534439      6.79829924    -11.22881835
  H     13.58927232     13.09313261    -11.17138525
  O     15.38128805     10.51141586    -12.80871031
  H     14.48894147     12.77209277    -14.51733670
  H     14.42012549     12.12393287    -10.30120796
  O     20.88260813      9.22671109    -12.72558713
  H     13.13126549     12.44457628    -13.83371825
  H     18.88629430     11.69403408    -14.71997926
  O     15.88292917     13.83033125    -14.37358759
  H     18.65068321      9.55160714    -14.86956437
  H     18.72628668     11.29538443    -13.23271932
  O     16.61100181     14.20764255    -11.60567470
  H     18.96132501      8.05362105    -15.10403900
  H     12.68073190     10.23449380    -10.90526059
  O     14.37285697     13.03471255    -10.60975847
  H     18.27972964      9.00770500    -10.04595182
  H     12.01593033      9.69076656    -12.18974165
  O     19.21023096     11.08516100    -14.04507108
  H     17.53901050     10.18937105    -10.68400754
  H     15.40160697      9.84141183     -9.85818070
  O     11.95122064     10.38112816    -11.51799703
  H     15.58586850     10.06226702    -16.49294718
  H     14.76596814     10.23127869    -11.19261884
  O     14.56012358     10.09987500    -10.24983560
  H     17.09025069      9.69973958    -16.43067518
  H     15.23464012      8.45706130    -14.75796158
  O     15.93176283      8.13697476    -14.17126296
  H     19.79136473      6.57321455    -13.45535648
  H     16.78305681      8.29816948    -14.60413616
          69
 Energy    -247.97943089769274     
  O     15.22103897     12.80768137    -13.79114658
  H     14.39660611     12.90341553    -13.29841330
  H     16.72862535      9.43477044    -17.08375685
  O     13.92090589      6.87448240    -12.94422782
  H     15.74116633     12.15111234    -13.30967814
  H     14.50808317      8.31257167    -13.88653870
  O     17.16556971      8.30180620    -15.67048806
  H     13.58494019      7.34004454    -12.16594472
  H     14.23760265      9.52152892    -14.84495759
  O     13.16349963     10.41867308    -16.06434156
  H     13.15789461      6.57504246    -13.45525852
  H     12.19753792     13.49462999    -12.06145107
  O     15.88724709      9.48594237     -9.06158152
  H     17.78719641      8.17622708    -14.93982550
  H     12.28737333     12.16821693    -12.85539735
  O     12.90025981      8.27588766    -10.80988099
  H     16.33776600      8.59367158    -15.25611474
  H     16.61035636      5.88525163    -11.34627985
  O     16.28621036     10.57182647    -12.47056343
  H     13.77339600     11.14878879    -16.24076081
  H     17.21427296      7.05166913    -10.54336835
  O     13.58524083      6.46236901    -16.54556288
  H     13.21561355      9.82865995    -16.82559036
  H     11.45085740      8.39760644    -12.08180295
  O     14.53705566      6.97544464     -8.91246396
  H     15.23473474     10.06802738     -9.47384454
  H     11.09776504      7.81604772    -13.46926798
  O     16.31810255      5.71052280    -16.07672910
  H     15.41414830      8.67393544     -8.84117067
  H     17.74824302      6.92763387    -13.23312786
  O     11.74442904      6.33098000    -14.57195969
  H     13.32539219      7.80561692    -10.08194038
  H     18.36844424      8.10226334    -12.46352623
  O     16.22247174      9.96389266    -17.71529523
  H     13.24658365      9.17988717    -10.80079088
  H     16.39427765      5.45762539    -14.14225445
  O     14.91068151      9.07916529    -14.31418280
  H     15.85785360     10.00329923    -13.13053887
  H     15.48389197      6.06643081    -13.06471216
  O     12.78747113     12.77956575    -12.28188598
  H     16.95139405     10.04724432    -12.01782992
  H     18.76593005      9.20494474    -10.30671640
  O     16.66356756      6.26618430    -10.46007545
  H     13.66765219      7.20222927    -17.15995815
  H     17.23651187      9.15613469    -10.09526687
  O     10.90068257      8.53880625    -12.86262497
  H     14.47813793      6.13008231    -16.39693596
  H     14.73902925      9.13652843    -18.11782764
  O     18.39857557      7.64139522    -13.30656544
  H     14.40449950      6.35387468     -8.20181238
  H     13.63965213      8.78332082    -19.14909594
  O     16.35955304      5.67040808    -13.20332661
  H     15.26445502      6.62798845     -9.45898483
  H     13.56404437     11.52329672    -11.14153790
  O     17.95060120      8.92778194    -10.71900993
  H     16.66965476      6.61556610    -16.02462084
  H     14.86175733     10.72715231    -11.36295939
  O     13.86265532      8.72453646    -18.22390824
  H     16.86578226      5.24012640    -16.70078345
  H     15.24743477     12.53865754    -15.49743089
  O     14.09307856     10.80320878    -10.77833435
  H     12.34507457      6.38416224    -15.33717918
  H     15.20269109     13.16920351    -16.90608130
  O     15.18656715     12.33307484    -16.44755003
  H     11.16352514      5.59181476    -14.73192692
  H     11.21739746     10.19674570    -13.51588828
  O     11.51981059     11.04452946    -13.87148628
  H     16.01861319     10.79926059    -17.27649425
  H     11.97776055     10.84536775    -14.69714690
          69
 Energy    -247.97928123843900     
  O     14.46140735      9.76621005    -10.57208084
  H     15.18927984     10.11721055    -10.04572319
  H     17.07884402      4.60138623    -13.03324277
  O     13.23542069     10.55547306    -16.46841297
  H     14.32016803     10.33491147    -11.34215201
  H     12.34456904      7.44866226    -10.88493933
  O     16.82889533     11.02403133    -13.63064071
  H     13.15454876     11.38881158    -15.98802637
  H     13.18809614      8.53556676    -10.17703050
  O     13.57865012      4.70913828    -12.77996383
  H     13.04812118      9.85838198    -15.82619930
  H     18.68996278      8.40464066    -15.08486520
  O     16.65669914      7.57978031     -8.46132043
  H     17.37188884     10.77872774    -12.86759450
  H     20.21335391      8.39709447    -14.88600056
  O     16.08041296     12.78760284    -15.68810887
  H     15.90231188     10.95967127    -13.36446026
  H     14.41536210     13.00417083    -15.18359746
  O     15.69304954      7.63887350    -11.95075095
  H     14.23930507      4.54529653    -13.46260860
  H     13.13074187     13.82395857    -14.90579821
  O     14.08210052     10.91918222    -13.02798470
  H     14.07592575      4.73710495    -11.95092402
  H     13.87913636      8.16236382    -14.58776234
  O     18.43671779      7.35724110    -12.07878804
  H     17.14913765      6.94035646     -8.97486659
  H     12.56033713      8.10487238    -13.78868877
  O     18.22007431     10.11208530    -11.45814619
  H     15.78647144      7.18250999     -8.31374768
  H     14.80367848     10.56385095    -17.24817966
  O     15.82981600      4.59128734    -14.55690218
  H     16.50350592     12.31556747    -14.95679465
  H     15.64278547     10.67564764    -18.54286137
  O     17.52123184      4.74541598    -12.18811008
  H     16.07451419     12.17000533    -16.42952837
  H     10.97505740      6.47474617    -12.72415722
  O     12.64219897      7.75122480    -10.01984043
  H     15.33787752      8.38960855    -11.46171105
  H     12.45933809      6.04625615    -12.72512279
  O     19.40793973      7.97599792    -14.59417298
  H     16.66097111      7.68032583    -11.94264819
  H     13.60134555      6.02724500     -7.54283868
  O     13.49023907     12.94174332    -14.88371764
  H     13.79399811     11.68475355    -13.53947316
  H     13.52810848      6.84480369     -8.85752976
  O     13.08756829      8.67288186    -14.36341781
  H     13.71501675     10.13590645    -13.46340836
  H     14.85733613      5.44158046     -9.75244576
  O     15.71124569     10.64554458    -17.59252119
  H     18.83271711      7.55074906    -12.94173980
  H     15.35100218      6.09011154    -11.06874437
  O     11.86351229      6.81150744    -12.63521312
  H     18.25037233      6.40657767    -12.07491048
  H     16.09189678      7.92193955    -15.06336882
  O     14.12681657      6.34667089     -8.27060311
  H     18.44680288      9.17848776    -11.55784967
  H     15.53036567      7.41425324    -13.69383622
  O     15.25635153      5.24128736    -10.60558838
  H     17.80523108     10.20358302    -10.59250225
  H     16.74880440      9.30501531     -8.75404812
  O     15.47182277      7.30256874    -14.65697405
  H     15.72530079      5.54669212    -14.70495599
  H     16.97551020     10.74583021     -8.23556542
  O     16.75017923     10.24340637     -9.01397200
  H     16.01744293      4.20121053    -15.40682146
  H     16.76227516      9.64598981    -16.43578370
  O     17.18282949      9.23362355    -15.67210098
  H     16.81367014      4.71406495    -11.53009607
  H     17.10384692      9.86318504    -14.93732351
          69
 Energy    -247.97918032412673     
  O     12.11744009      7.82993857    -14.15027162
  H     11.81282055      8.72391802    -14.35011674
  H     17.63442909      7.13923158    -14.37714438
  O     16.94813362      7.73392262    -12.78865107
  H     12.63366641      7.58451834    -14.93253405
  H     19.14440829      8.46483445    -14.89954217
  O     16.15929342     11.83763198    -12.34565779
  H     17.50699506      8.43654116    -12.43316217
  H     19.30934567      9.94242797    -15.29231886
  O     16.32586007     11.50453896    -15.13801386
  H     16.32523705      8.17351466    -13.39070811
  H     14.10075189     10.55239574    -17.24038202
  O     15.52209445      5.22444062    -15.62695178
  H     16.15442039     12.00500808    -11.39526800
  H     14.64216117     11.50368822    -16.15552511
  O     14.06693409      9.74702748     -9.22121382
  H     15.27506142     11.48486716    -12.53041059
  H     14.77260746      8.51225561    -15.07966476
  O     15.09593020      6.65097874    -11.11232084
  H     16.36060392     11.87297667    -14.24649022
  H     14.62422171      9.54083982    -13.91459048
  O     13.67721896     10.70777901    -12.83537763
  H     16.07137111     10.57509593    -15.01857783
  H     17.15996346     10.48790838     -9.36090961
  O     17.22758482      8.74104079    -17.41436776
  H     15.49943565      4.31519217    -15.91471270
  H     18.10536305      9.73964197    -10.30909318
  O     16.00020150      7.71257038     -8.66497018
  H     15.01325148      5.26486293    -14.79681010
  H     13.20621583      6.12156967    -13.55099299
  O     18.58343502     11.09692123    -16.62053018
  H     13.50019941      9.35601548     -9.89589249
  H     14.32193330      5.75109881    -12.55432660
  O     17.81184633      6.93437742    -15.30694021
  H     14.64001992      9.03047700     -8.91806705
  H     18.85255789      9.86393897    -12.95484034
  O     19.46718908      9.31303430    -14.57784531
  H     15.80532717      6.97778936    -11.68896241
  H     17.67358528     10.66267656    -12.30166573
  O     13.83125460     11.21214368    -16.58904655
  H     15.37560538      6.85153320    -10.21154946
  H     15.60717729     12.51308867     -8.89103988
  O     15.26329004      9.05507211    -14.45256326
  H     12.95179128     10.83445265    -13.45949325
  H     15.11681171     11.15395541     -9.43940284
  O     17.69330396      9.68689157     -9.43636809
  H     13.42491736      9.98163425    -12.24654776
  H     15.65360260      8.97544410    -18.02831601
  O     13.94837925      5.52460927    -13.41707868
  H     17.43785116      8.11849291    -16.70611807
  H     14.71256200      9.06692115    -19.25665552
  O     18.37306733     10.01914345    -12.12774635
  H     17.77526186      9.52144311    -17.26780283
  H     13.69382170      7.79457787    -11.35121281
  O     15.80357404     11.83783366     -9.53511700
  H     16.29583992      7.33634376     -7.84042514
  H     12.55195146      8.14850101    -12.33671116
  O     14.72664063      9.10419691    -18.30438121
  H     16.67782780      8.35783939     -8.93759505
  H     12.46864653     10.82939810    -15.54887488
  O     12.96593696      8.41478741    -11.50529693
  H     17.79471588     11.35757400    -16.11364489
  H     11.01548278     11.13175816    -15.11540571
  O     11.78342076     10.61268566    -14.89134367
  H     18.94830845     11.89255257    -16.99804659
  H     14.07867104      7.90522641    -17.06678445
  O     13.86635862      7.40675184    -16.26757138
  H     17.16418001      6.25261015    -15.52315088
  H     14.44520224      6.63421289    -16.22745769
          69
 Energy    -247.97898045456265     
  O     13.91544853      3.92666386    -14.21465724
  H     13.86756343      3.07630809    -14.64452465
  H     15.20860219     11.07395253    -13.89571149
  O     17.05016525     11.29955163    -14.21225263
  H     14.84791171      4.06756352    -13.97944943
  H     15.26708954      8.02330884     -9.08965810
  O     18.08582630      8.93758101    -10.92046775
  H     17.43920342     10.41193669    -14.13084276
  H     15.45913808      8.07417132    -10.62399965
  O     13.89879598      8.63553694     -8.11888622
  H     17.54040502     11.75402940    -14.89224751
  H     15.18588781      7.96207907    -12.86212913
  O     12.10618776      9.39933524    -14.42385790
  H     17.36235836      8.52993472    -10.42134759
  H     14.59328568      9.35530635    -12.55523410
  O     19.21969913      4.29592559    -13.46584857
  H     18.88014306      8.42606247    -10.72567541
  H     19.73600047      6.31476100    -10.50620759
  O     13.08035643      6.63691477    -14.53891106
  H     13.39391508      9.20084769     -8.72783874
  H     20.93725577      7.10997360     -9.93951519
  O     16.04866179      5.14177723    -10.68873441
  H     13.27558882      8.33087605     -7.46495403
  H     16.11763576      6.23898099    -14.05254230
  O     12.60009941     10.23095941     -9.94260451
  H     12.88304414      9.95425307    -14.26645107
  H     14.89847322      7.03720130    -14.58293783
  O     20.05891750      6.87511591    -13.41298199
  H     12.42969475      8.53284415    -14.69429719
  H     17.11986913     11.58341242    -12.28970417
  O     14.37896082     12.17671117    -11.05670960
  H     19.86695225      3.74289379    -13.89444309
  H     17.42827975     10.69449949    -11.07109578
  O     14.32411247     10.90307127    -13.54771446
  H     19.54779793      5.21143025    -13.52430836
  H     17.23925307      8.19656811    -14.01547713
  O     15.87216908      7.76943022     -9.80015711
  H     13.23438229      5.68664261    -14.61203324
  H     17.93838684      8.79739224    -12.74517964
  O     14.76433187      8.48831071    -12.17009652
  H     12.76550825      6.76907842    -13.63208689
  H     17.88717357      4.83996819    -10.52715462
  O     20.22603985      7.15451799    -10.57259645
  H     16.00828220      6.02664270    -10.30054888
  H     19.00330384      4.47503783    -11.52879587
  O     15.82890526      7.11908257    -14.33329549
  H     15.13485485      4.83358354    -10.78054443
  H      9.87747525      9.58043189    -12.12856141
  O     16.99666691     11.51734941    -11.33517029
  H     11.96402653     10.00538499    -10.63079897
  H     11.20351402      9.43123519    -12.90892772
  O     17.95762633      8.77167450    -13.71452085
  H     13.18031682     10.90885524    -10.30965724
  H     17.39558633      4.41077764    -13.49881287
  O     18.84699743      4.81903404    -10.64152777
  H     19.43259038      7.56383745    -13.66804325
  H     16.33064264      4.79902025    -12.42958687
  O     10.80271953      9.37596868    -12.02339442
  H     20.26403719      7.03703303    -12.48302838
  H     13.46193272      4.17474426    -12.28272684
  O     16.45959857      4.60827013    -13.37174260
  H     15.32367019     11.93988954    -11.03778359
  H     12.98454005      5.34421579    -11.40967705
  O     13.45967686      4.50189239    -11.37682328
  H     14.31540857     13.07117023    -10.73170492
  H     11.68965759      7.70667579    -11.77203791
  O     12.40305336      7.06168055    -11.83136938
  H     14.22101391     11.46144924    -12.76483226
  H     13.22148272      7.58018583    -11.80876355
          69
 Energy    -247.97892305956339     
  O     -3.16669773     12.91368353      8.31335813
  H     -4.01841702     13.29800486      8.07205360
  H     -1.83543058     13.47107740      7.26373082
  O     -4.32373404      8.67192502      4.90432726
  H     -3.27211335     11.95976263      8.22862068
  H     -5.36658028     14.42163579      5.65881708
  O     -2.35486962     14.92385586      4.33907568
  H     -4.04936919      9.04729573      5.75038007
  H     -5.24227032     13.63443361      4.33600418
  O     -3.52095669     10.19437704      7.24401082
  H     -5.25662964      8.90341205      4.81839761
  H      0.33172694     11.34631246      5.27928064
  O     -6.83156846      9.99149890      4.69125687
  H     -3.29476626     14.80316280      4.52831106
  H      1.53394235     11.46787381      6.24379738
  O     -0.97604903      9.26830984      7.33079061
  H     -1.86786507     14.64837731      5.12800404
  H     -5.31932597     10.70891028      7.37070624
  O     -3.32493487      9.25030695      2.25045209
  H     -2.67990971      9.77323908      7.47891539
  H     -6.54724145     10.71122317      6.43857902
  O     -3.85715415     11.89715664      1.36573158
  H     -3.31092198     10.75420757      6.47926704
  H     -1.50001209     13.83104965      1.47212653
  O     -1.54513345      7.79612881      5.03113086
  H     -6.31831561     10.71676306      4.29325314
  H     -1.81011196     13.78471941      2.98590816
  O     -0.71235745      8.68141450      2.41090452
  H     -7.60611284      9.86720670      4.14918328
  H     -3.70921198     16.71655363      2.27954824
  O     -0.39659071     11.14101115      3.66169550
  H     -1.06148082      8.68093880      6.56375773
  H     -2.46368089     16.28877200      3.06377374
  O     -1.26398937     13.62944780      6.49616538
  H     -0.39994606      9.98853901      7.05413967
  H     -1.38263755     15.67098540     -0.41835579
  O     -5.14372228     14.51652428      4.72457376
  H     -3.60968923     10.09608286      1.88286258
  H     -2.13280101     15.86259482      0.92280753
  O      0.58072461     11.49710905      6.20717391
  H     -3.74461097      9.13900010      3.11226501
  H     -5.97465817     12.87216562      7.31857994
  O     -6.16554002     11.14788228      7.20894257
  H     -4.25618483     12.61783394      0.85708522
  H     -6.33279320     14.19871608      8.03000464
  O     -1.52655312     13.24142473      2.23598575
  H     -3.01587726     12.25189832      1.68549580
  H     -3.74077504     14.62159515      0.11534365
  O     -2.74610751     16.78129117      2.28006976
  H     -1.15625815      7.98230178      4.16918547
  H     -5.00745414     14.87821941      0.94967729
  O     -1.88946739     15.20805573      0.24300209
  H     -2.49872744      7.86236499      4.90496086
  H     -5.45636508     15.56153231      3.27579049
  O     -5.74464808     13.81716534      7.38275774
  H     -1.66347023      8.83748498      2.25781541
  H     -6.31634501     16.55457377      2.46561421
  O     -4.63406971     14.29330525      0.27966977
  H     -0.39881395      8.14205159      1.69080156
  H     -2.37078990     12.44946724      5.54235861
  O     -5.51251298     16.04103506      2.43366833
  H     -0.65196807     11.85370751      3.05918733
  H     -2.05762430     11.30924214      4.55461834
  O     -2.76838042     11.70331281      5.07511870
  H     -0.41148597     10.30602594      3.17617492
  H     -4.85838806     11.94345386      2.83852129
  O     -5.15590584     11.93828469      3.75852908
  H     -0.54625554     12.98447597      6.52244639
  H     -4.35403482     11.80369718      4.28836296
          69
 Energy    -247.97884503205890     
  O     -7.31204111     -3.06687515      5.62085834
  H     -6.79704666     -2.29233584      5.86765291
  H     -3.08841333      2.17242609      3.02359389
  O     -6.68525071     -4.49071649      3.37770761
  H     -8.17072206     -2.71707800      5.34948397
  H     -6.64764824     -1.03335585      2.98004976
  O     -5.09802008      1.22147260      0.74204811
  H     -6.84994570     -4.06988599      4.24010626
  H     -7.45214691      0.27895514      2.69842015
  O     -6.25504971     -0.28612147      5.84786919
  H     -6.47212887     -5.40365979      3.55170428
  H     -1.49600684      4.25747393      2.94878199
  O     -6.16132066      5.50467764      2.35054088
  H     -5.13225660      0.35203017      0.32854634
  H     -2.96196913      4.31019047      3.44591203
  O    -10.01147097      0.70593846      0.45471345
  H     -6.01406035      1.43417096      0.98220693
  H     -9.53432147      1.64966723      5.44055459
  O     -9.49922076     -1.57845343      4.52120382
  H     -5.33823713     -0.53756845      5.65579837
  H     -9.19756507      2.74629877      4.40201847
  O     -3.91738527     -0.95846037      4.63374596
  H     -6.68066723     -0.25153649      4.97341760
  H    -10.73079120     -0.43762811      3.40644903
  O     -4.45786639      3.99566023      0.85166037
  H     -5.60413978      4.97959307      1.74833030
  H    -10.69666316      1.08911995      3.52484206
  O     -9.02966839     -3.29743018      2.21242941
  H     -6.34655577      6.32795334      1.90689360
  H     -5.31045426     -2.05075179      1.54791794
  O     -5.60289346     -1.42705221     -0.17960335
  H    -10.69810644      0.98801046     -0.14285896
  H     -5.71427699     -3.06889956      2.66876184
  O     -3.68321158      1.42218207      3.14323058
  H    -10.43189766      0.56742988      1.32337445
  H     -8.88888015     -0.83143070      0.16752388
  O     -7.31122810     -0.42841140      3.33786290
  H     -8.77884404     -1.18893424      3.99369100
  H     -8.57202919     -2.19742708      0.82066098
  O     -2.36205436      3.88629688      2.80606894
  H     -9.55638077     -1.02687430      5.31097227
  H     -9.02737186      0.26865876      7.59846546
  O     -9.90714838      2.17571078      4.72469794
  H     -3.65085174     -0.14402820      4.18586003
  H     -7.92120630      0.07802104      6.53986535
  O    -10.97520733      0.36677702      2.94018125
  H     -4.28027535     -1.51098206      3.92815414
  H     -4.94746618      5.24412916      3.83143654
  O     -5.31801693     -2.20400228      2.50127484
  H     -4.64342315      3.07052696      0.64699062
  H     -4.71434283      4.11461239      4.85108248
  O     -8.26662465     -1.56627831      0.15332310
  H     -3.64330449      3.99328264      1.37010334
  H     -4.91567928      2.04878403      4.31272083
  O     -8.87050017      0.23983431      6.65712443
  H     -8.28203599     -3.81507811      2.53625084
  H     -5.77576673      1.60951914      5.50998147
  O     -4.29496585      4.88486100      4.44622347
  H     -9.41064859     -2.87753309      2.99083021
  H     -8.49336220      1.48132161      1.12660617
  O     -5.54175469      2.37508975      4.97781098
  H     -5.37029009     -1.83554094     -1.00882771
  H     -7.79133997      2.37741884      2.21863823
  O     -7.65453524      1.68455416      1.55872202
  H     -6.57573678     -1.46386035     -0.11092310
  H     -7.29672684      4.30204288      3.19829715
  O     -7.68068776      3.52474065      3.62319945
  H     -4.13906180      1.28322327      2.30102311
  H     -6.96816995      3.11820944      4.13863666
          69
 Energy    -247.97878337860777     
  O     10.87387386      9.17949303    -10.88203795
  H     10.18401538      9.81724430    -10.71697441
  H     14.93943646      7.94542548    -13.96179029
  O     17.52491646      6.23187615    -12.93639408
  H     11.04917434      9.19917141    -11.84095433
  H     13.98096858      6.35814678    -13.10636067
  O     15.12589114      4.76706024    -15.70088762
  H     17.51737119      5.33214162    -13.28210272
  H     12.44146102      6.25540116    -13.00992025
  O     15.94680360      3.46755706    -11.15855789
  H     17.24137878      6.17765996    -12.01025843
  H     10.88767517      5.96076229     -9.85661155
  O     16.21727413     10.44183684    -10.12939043
  H     15.19798309      4.91265317    -16.64203334
  H     10.51614790      7.33307860    -10.49486032
  O     12.19105275      4.82968916     -9.00943656
  H     15.10754030      5.64661685    -15.28527784
  H     18.32906308      7.91030974    -12.71796334
  O     14.39654781      9.47685764    -13.19075863
  H     16.28188092      3.45135386    -12.06282583
  H     18.53053097      8.70438749    -11.41881927
  O     12.22193888      4.41715720    -15.48726567
  H     16.30325719      4.26865756    -10.75526337
  H     13.46909808      6.14541407     -9.42193423
  O     18.02709077      8.49986605     -9.56725338
  H     16.41094258     10.74250310    -11.02540145
  H     13.72830420      6.55705507    -10.88661004
  O     11.28400611      3.02593099    -13.26192883
  H     15.28470520     10.18638287    -10.13230849
  H     17.38058495      2.88641962    -14.27025836
  O     13.19853883      3.62698875    -11.25595005
  H     12.04806337      4.23267980     -8.28009758
  H     16.26246982      3.91581492    -14.54277779
  O     15.23031019      7.06257672    -14.22866331
  H     12.50376976      4.29139546     -9.75803727
  H     17.21131578      6.86181350     -9.94683306
  O     13.25920942      6.09404792    -12.52314669
  H     14.13646840      9.41825678    -12.26052952
  H     15.76947819      6.33172858    -10.13150698
  O     10.24627039      6.41013877    -10.41873267
  H     15.18491915     10.03432513    -13.21232061
  H     17.48232946     10.12243930    -12.80226942
  O     18.53731956      8.79111859    -12.38037286
  H     13.18224492      4.38305775    -15.50807509
  H     17.28929801     11.55581925    -13.35312694
  O     14.01373325      6.71970829     -9.97216967
  H     11.93703314      3.81385206    -14.78277174
  H      9.60677071      5.51182490    -11.75183589
  O     16.91912322      3.62971039    -13.88844959
  H     18.56530349      8.75309076     -8.82208252
  H      8.38208720      4.93067760    -12.49882674
  O     16.69951192      6.12357045    -10.30128420
  H     17.36326437      9.20313672     -9.68611171
  H     12.68711073      9.45408446    -10.50404324
  O     16.83453736     10.84095803    -12.91614577
  H     10.56333823      3.60650609    -12.98672755
  H     13.83269265      8.48030501    -10.17103692
  O      9.32814047      5.03469387    -12.55385556
  H     11.91304463      3.02005807    -12.52979559
  H     12.48958861      9.33591585    -13.60739075
  O     13.64838894      9.38626854    -10.46035585
  H     13.17011655      4.43429282    -11.79219119
  H     11.35557886      8.30697990    -13.87668176
  O     11.54454194      9.17847113    -13.49950105
  H     14.13820618      3.41551617    -11.16087534
  H     10.34610387      6.08460097    -13.71777296
  O     11.05933301      6.52736060    -14.19488811
  H     16.07108847      6.88077316    -13.78440651
  H     11.44247224      5.86693757    -14.79304828
          69
 Ord_Energy   -247.978653    
 O   -5.10016346       6.75246429      -1.98972762    
 H   -5.19153929       7.17281199      -2.84103036    
 H   -4.19969225       6.95277691      -1.67409182    
 O  -0.547536969       5.61016083       3.08238769    
 H  -0.242390215       6.42890882       2.66418862    
 H   -1.45828760       5.77040339       3.36496735    
 O   -5.23118162       3.91407037      -1.60902429    
 H   -5.24476004       4.85613537      -1.82206213    
 H   -4.35689068       3.74953055      -1.23078096    
 O  -0.262148201       4.13790798      0.767664552    
 H  -0.141637787       3.21676660       1.02452195    
 H  -0.361582100       4.64513636       1.58919263    
 O   -6.63559294       3.61655951      0.732714117    
 H   -6.47160530       2.74641538       1.11102068    
 H   -6.25023174       3.63563681     -0.157323435    
 O   -2.94725060       3.79817510       4.59506996E-02
 H   -2.00992703       3.98103213      0.178836346    
 H   -3.44193435       4.51062536      0.479301035    
 O   -7.97370100       5.88598490       1.63355970    
 H   -7.76610088       5.83244419       2.57318187    
 H   -7.68745041       5.03881741       1.26170063    
 O   -4.63263941       5.44972324       1.47594559    
 H   -5.00937176       6.27816391       1.15581131    
 H   -5.32759905       4.78568506       1.37061429    
 O   -5.86136150       1.25688601       2.09555697    
 H   -6.07380581      0.329935789       2.02247071    
 H   -4.89594269       1.33146060       2.01948309    
 O    8.52411985E-03   6.28014326     -0.927946031    
 H   -1.90038001E-03   5.46343231     -0.401793510    
 H   0.683144093       6.16769934      -1.59302437    
 O  -0.387519687       1.52145445       1.84224403    
 H   -1.35673618       1.48555183       1.88465083    
 H   -8.66908506E-02  0.631570876       1.67573452    
 O   -5.29055166       7.52824926       4.78225994    
 H   -5.98034430       6.85704470       4.65599871    
 H   -5.46102333       7.94338655       5.62443781    
 O   -7.18913698       5.52410126       4.42038584    
 H   -7.96966696       5.37164307       4.94837761    
 H   -6.72663975       4.66894770       4.36330652    
 O   -2.65293908       7.35143948      -1.00287616    
 H   -2.58108902       8.03081131     -0.320623279    
 H   -1.77974534       6.94956636      -1.07025337    
 O    2.83483397E-02   7.80299711       1.53739870    
 H   0.149241194       7.41652822      0.662221611    
 H  -0.760708988       8.35664177       1.46787918    
 O  -0.353630304       3.05861259       4.33264589    
 H  -0.250900477       3.96475458       4.00861025    
 H  -0.177315101       2.48789525       3.57671309    
 O   -2.33933640       9.29044724       1.05879641    
 H   -3.14789677       9.18061066       1.58893514    
 H   -2.26963019       10.2228098      0.868202865    
 O   -3.23661017       5.88614273       3.76536322    
 H   -3.70001006       5.73785925       2.92544842    
 H   -3.78388548       6.50483274       4.25959206    
 O   -6.15735197       7.60746861      0.491995394    
 H   -5.96430159       7.35976076     -0.420057684    
 H   -6.90659189       7.07816458      0.807168603    
 O   -3.16080093       1.84376681       1.98825037    
 H   -3.15194607       2.32880497       2.82802916    
 H   -3.14510918       2.49364352       1.26894212    
 O   -5.90718603       3.13593149       4.28658581    
 H   -4.96406317       3.09784293       4.49542665    
 H   -6.04945612       2.46381903       3.61130095    
 O   -4.67870808       8.98085976       2.36374736    
 H   -5.28390312       8.62107944       1.69786918    
 H   -4.90775061       8.55895042       3.19790864    
 O   -3.10592508       3.21034694       4.41202927    
 H   -3.18687701       4.16368580       4.26029634    
 H   -2.16509986       3.05084443       4.57250786    
          69
 Energy    -247.97856733292048     
  O     10.15466441     11.79487990    -12.09333778
  H     10.03246821     10.94370951    -11.65647442
  H     10.69448963      9.31193093     -9.88758293
  O     15.20837720      9.12839884    -17.56219406
  H     10.34816150     11.62031009    -13.02185181
  H     12.40168183     12.40552239    -14.11541480
  O     12.21016348      8.66429662    -12.13897187
  H     15.61374564      8.60694085    -18.24943277
  H     13.29115731     12.17545541    -12.87681690
  O     15.34053309      9.48518501    -14.74741102
  H     14.24532686      9.01484476    -17.65402714
  H     16.80128688     11.83906630    -11.66741481
  O     12.83547061     11.94052016     -9.10092297
  H     12.70219741      9.49258850    -12.00811264
  H     16.51218198     10.32160110    -11.38466647
  O     14.57474573     11.92887014    -17.32095439
  H     11.35778881      8.77625653    -11.70089940
  H     15.89596621      8.85598504    -13.02542046
  O     12.59418255      8.96097524    -14.80317463
  H     15.47339218     10.44317598    -14.69594075
  H     15.53500678      8.29993487    -11.61047776
  O     14.09360017      7.61467653    -10.45237654
  H     15.45432868      9.24818322    -15.67673701
  H     13.09895749     14.30658640    -12.59604512
  O     13.63699628     10.97381938    -11.59316890
  H     12.23162913     12.63174008     -9.40433601
  H     12.37959119     14.63989982    -11.28723375
  O     12.12500982      9.26135620     -8.85821890
  H     13.70446029     12.33049850     -8.93822694
  H     16.73033227     13.88280900    -12.16842692
  O     15.71467119     14.67888124    -11.02685503
  H     15.00483246     12.17964622    -16.49277686
  H     18.12843433     13.73270769    -12.81806712
  O     10.01343719      9.33647641    -10.58399691
  H     14.89514101     11.04027546    -17.51721725
  H     11.16343016     11.60884302    -15.73257411
  O     13.14903783     12.77161646    -13.62785563
  H     13.53955000      9.16607324    -14.77566787
  H     11.56514940     10.48603530    -14.76716675
  O     16.40745230     11.22134689    -11.03888564
  H     12.36288631      8.66574657    -13.91291449
  H     16.12363141     12.66001950     -8.16952718
  O     16.21578130      8.75552527    -12.11881013
  H     13.39482027      7.83090825    -11.09238898
  H     15.88811694     12.12216883     -9.60028770
  O     13.10356987     14.92754384    -11.85418200
  H     14.04996978      6.67100420    -10.31173522
  H     16.24999345     12.66199738    -14.14289310
  O     17.27917948     13.30809063    -12.73421407
  H     14.59757689     10.97910227    -11.49855871
  H     14.72328780     12.52682356    -14.37772911
  O     11.09092866     11.32917475    -14.81085307
  H     13.27675260     11.29752900    -10.75686104
  H     11.55933390     12.45958038    -18.17001860
  O     15.52737866     12.70940712     -8.91270152
  H     12.88119724      8.77218992     -9.19789522
  H     12.81704263     11.96549353    -17.42158168
  O     15.59119958     12.26613402    -14.72403913
  H     12.40034150     10.18771734     -8.79157217
  H     10.69067533     13.04567038    -10.99837768
  O     11.84972467     11.86735522    -17.48138665
  H     14.80862934     14.87182782    -11.31273096
  H     10.25732615     14.15998937    -10.01821159
  O     11.01662831     13.67320899    -10.32814470
  H     15.63469972     14.17374591    -10.21108630
  H     12.14221252      9.93527632    -17.69542136
  O     12.48358982      9.04064983    -17.57909019
  H      9.23336863      8.92390443    -10.22322370
  H     12.38969316      8.85580079    -16.63268594
          69
 Energy    -247.97851953574209     
  O     11.41013442      9.83737616    -11.97401178
  H     11.62341902     10.07851476    -12.88641429
  H     15.36886253      8.39145707    -16.54775118
  O     16.25194783      7.88582438    -15.00911741
  H     11.83969217     10.50249699    -11.42531188
  H     19.02291375     11.23259027    -13.81682849
  O     17.66635999      9.83834476    -11.00476630
  H     15.81674676      7.17241463    -14.52156134
  H     18.67424632     11.08165786    -15.30175049
  O     16.14889865     12.51582038    -14.01173055
  H     17.07288362      8.06780532    -14.53392110
  H     14.33277886     12.91801866    -13.51441171
  O     12.15508593      8.35289449    -16.25137103
  H     18.00483616      9.33468655    -10.25039584
  H     12.95066557     12.27755906    -13.78174733
  O     16.90338768      6.17343303    -10.02758319
  H     16.70119787      9.84995709    -10.93633038
  H     15.42589263      9.30740974    -14.26440865
  O     15.23572101      5.93121042    -13.32201520
  H     16.57543797     12.51280776    -14.87914445
  H     15.45223611     10.83974358    -13.91635563
  O     14.91461164      9.82852375    -11.05247634
  H     16.85885595     12.49547706    -13.35662339
  H     11.53622263      8.13777789    -11.71911227
  O     17.57727055     12.23527489    -16.40855872
  H     12.31490588      7.69613846    -15.54975370
  H     10.86002894      6.83405899    -11.22927593
  O     17.98806036      5.69965325    -12.65295198
  H     11.46684661      7.99522894    -16.80605807
  H     12.22395393      6.75027980    -13.38651456
  O     15.97198621     11.03094905    -18.21329809
  H     15.98692584      6.40868334    -10.22291866
  H     13.49710540      6.20661391    -14.05790348
  O     14.81170476      8.79695096    -17.22562586
  H     17.29914390      5.91124677    -10.86735605
  H     18.13332773     11.35288134    -11.75135877
  O     19.15883076     10.66000140    -14.58253542
  H     16.14049665      5.64002933    -13.15641686
  H     18.83803196     12.72742956    -11.68700169
  O     13.41806060     12.89679369    -13.20530549
  H     14.93673357      6.34411950    -12.49767853
  H     18.13387997      8.79093462    -12.47282326
  O     14.99129011     10.00453504    -13.75943732
  H     14.30415738     10.51684172    -10.76492473
  H     18.81071693      9.05973325    -13.83272620
  O     11.65727085      7.17523953    -11.62508773
  H     14.90299719      9.84562488    -12.02369254
  H     17.88020011      7.42876649     -9.26769005
  O     12.63073105      6.58682242    -14.24641130
  H     17.00724915     11.79535973    -17.06326226
  H     18.70017391      7.98370454     -8.08885227
  O     18.33773994     12.15518959    -12.26276627
  H     18.04824749     12.92017975    -16.87675785
  H     14.57447120      8.05658754    -10.89419814
  O     18.41892954      8.35953765    -13.28996119
  H     18.23897078      6.60785775    -12.89075104
  H     13.42717071      7.03428336    -11.05124159
  O     18.40688345      8.19145371     -8.97113797
  H     18.71831719      5.14006477    -12.90524213
  H     12.74651722     12.54628583    -10.09954979
  O     14.38291424      7.10877489    -10.93819961
  H     15.73038623     11.09099918    -19.13319685
  H     13.15997437     12.30881417    -11.57080381
  O     13.01440912     11.86864920    -10.71389041
  H     15.53549813     10.22949992    -17.87576700
  H     12.16787845      9.93075359    -15.19063285
  O     12.39588684     10.55739486    -14.49489256
  H     13.89928900      8.65857161    -16.94750911
  H     13.30526361     10.33133575    -14.24156617
          69
 Energy    -247.97840213361252     
  O     15.75179797      8.75917363    -15.94233771
  H     16.04007936      7.85497563    -15.73574613
  H     20.00357344      4.67143412    -16.13485529
  O     13.48338235      5.33400423    -17.56472812
  H     16.16055309      9.32279307    -15.27545483
  H     18.32006256      7.84532720    -17.73689108
  O     18.50237267      5.84470069    -13.30897707
  H     12.62924440      5.18484835    -17.96058657
  H     19.44885984      6.78178491    -17.48529027
  O     20.33671285      5.27870653    -17.97130086
  H     13.37310073      6.05732138    -16.92143738
  H     17.32301086      6.09335088    -14.70136956
  O     18.09104522      4.02204471    -18.70043283
  H     18.07320175      5.20456505    -12.71766231
  H     17.54514772      6.49671961    -16.16842549
  O     12.74496221      6.59633359    -10.53483276
  H     19.00753218      5.32749904    -13.95731613
  H     14.01199301      8.00047945    -15.89343459
  O     14.57672688      4.07090358    -13.18574034
  H     21.07944985      5.04184234    -18.51851816
  H     13.41841807      7.11113857    -14.79881826
  O     16.51085401      7.69920948    -12.32065811
  H     19.56055855      4.79974634    -18.31898836
  H     16.38332971      4.37220185     -8.33650986
  O     13.54946983      4.00143967    -10.54773313
  H     17.32292727      4.59579114    -18.84056469
  H     15.88447797      5.45134701     -9.32761479
  O     19.33823160      8.36662532    -14.45774983
  H     17.86829828      3.42429416    -17.97765358
  H     14.58966376      4.27205187    -16.49576209
  O     17.57256486      2.55896068    -16.28984148
  H     11.88481107      6.72529383    -10.14558720
  H     15.83581205      4.82486994    -15.77984717
  O     19.60789205      4.35404274    -15.31568269
  H     12.93482031      5.64110330    -10.49407152
  H     16.21395014      4.03481336    -12.31254679
  O     18.89660029      7.45711188    -17.06881501
  H     14.33157240      5.00753186    -13.16090398
  H     16.81573147      4.19023429    -10.90120590
  O     16.85877480      6.25137598    -15.53336226
  H     14.75391249      3.87546680    -14.11346614
  H     15.88165430      7.39052397    -10.56609305
  O     13.33469704      7.33100581    -15.73677177
  H     17.22405120      7.08919559    -12.54408440
  H     14.51069341      7.08491903     -9.92565610
  O     16.03077575      4.49518914     -9.21338956
  H     16.71405108      8.53794939    -12.75331918
  H     16.15939906      6.72753070    -18.89335659
  O     15.29656023      4.02418665    -15.88868805
  H     14.36146334      4.00872039    -10.02435679
  H     15.10220325      5.65607173    -18.55072911
  O     17.04791867      4.14197823    -11.83563870
  H     13.82065750      3.82106561    -11.45800149
  H     14.83376363      7.13479889    -12.84296927
  O     15.45911191      7.10357545     -9.74597656
  H     19.28860216      8.11508644    -15.39145132
  H     13.43370219      6.82863888    -12.24317919
  O     15.96561067      5.78593581    -18.96009868
  H     19.26038024      7.54482041    -13.95932117
  H     18.05968296      9.46677203    -14.08313516
  O     13.95478847      6.79174331    -13.05559192
  H     16.71258563      2.98374892    -16.13457248
  H     17.51133152     10.82023292    -13.56204676
  O     17.24497887      9.95483929    -13.85964097
  H     17.47062922      1.63979947    -16.05574188
  H     16.52600627      9.28818818    -19.07600325
  O     16.71115884      8.53984438    -18.51446168
  H     18.95717413      3.69206897    -15.58259547
  H     16.31456372      8.73200873    -17.64790492
          69
 Energy    -247.97831203173371     
  O      7.99165244     -8.10760981      2.95355422
  H      7.05580151     -8.27936233      3.10116582
  H      9.62142980    -10.27658541      5.24824075
  O      5.24170919     -9.16683716      3.11835196
  H      8.46540398     -8.74953421      3.49757517
  H      2.72247139    -10.69836814      1.69732689
  O      6.91836187    -10.44131836     -2.85990934
  H      4.76871166     -8.42980551      2.70258250
  H      3.53381641    -10.17903157      2.89895741
  O      8.99120099     -7.55868525      0.48476567
  H      5.64519503     -9.69083395      2.40764374
  H      3.98384101    -13.45964954      1.91806751
  O      6.47146738    -10.66109481      1.17226661
  H      6.88858791     -9.78978321     -2.14325647
  H      3.26831400    -12.53660274      2.91060895
  O      4.26456452     -9.55931601     -3.47609338
  H      7.82055674    -10.78377969     -2.85920907
  H      8.06376178    -13.14242486      1.72773115
  O      3.86487954     -7.26206847      1.70737872
  H      8.65393646     -7.71118777      1.38610255
  H      7.01900568    -13.98707141      2.47471239
  O      3.14616277    -11.00588539     -0.21729951
  H      9.42136405     -6.70799121      0.49273231
  H      9.92135561    -10.52632224     -0.82532231
  O      6.02438518    -13.76386442      4.08520913
  H      7.33804044    -10.94737414      1.49288367
  H      9.82172433     -9.25656894      0.07224451
  O      2.94071619    -11.85822013     -2.92659151
  H      5.98354697    -11.44947558      0.91154538
  H      7.51177659     -8.17697887     -0.42430183
  O      4.03726677     -8.40434429     -0.83725920
  H      5.20469136     -9.78148463     -3.46912849
  H      6.68003891     -9.42628466     -0.05037941
  O      9.09464657    -10.25684253      4.45448991
  H      4.11913922     -8.98407354     -2.71438359
  H      9.12784916    -11.20421287      2.85556055
  O      2.82576573    -10.78392358      2.65272929
  H      3.84605225     -7.54873741      0.78170844
  H      9.47407067    -11.14286317      1.32980168
  O      3.66973213    -13.41452628      2.82837382
  H      3.10132387     -6.70236791      1.82697369
  H      5.95710984    -10.43211706      4.39710739
  O      7.41977665    -13.85775201      1.60531607
  H      3.76656287    -11.67487796      0.09842127
  H      6.32328910    -11.93549086      4.58310239
  O     10.14106555    -10.16613009      0.04237217
  H      2.88340741    -11.30323139     -1.09787276
  H      7.21320435    -13.63982243     -1.66557342
  O      6.77290196     -8.72414453     -0.71399213
  H      5.12783385    -13.67384380      3.71417438
  H      7.93754621    -13.93327037     -0.32848693
  O      8.95150269    -11.61136100      1.99925475
  H      5.96580008    -14.40545923      4.78878678
  H      5.88826894    -13.39467631      0.79260388
  O      6.55428104    -11.03836196      4.85241118
  H      3.34793812    -11.02401579     -3.22421083
  H      5.23679064    -13.00068978     -0.57101693
  O      8.08361590    -13.70463562     -1.25288890
  H      2.23697712    -12.05811514     -3.53758781
  H      6.01893377    -11.99291584     -2.50185692
  O      5.10408253    -12.99357126      0.38813679
  H      5.00671394     -8.41693194     -0.81240025
  H      4.64294032    -12.68395365     -2.61873338
  O      5.54509734    -12.81454665     -2.30247459
  H      3.73240596     -9.28934800     -0.58789463
  H     10.12897370    -11.92115900     -2.91333466
  O      9.43615361    -11.59627941     -2.34333969
  H      8.19821491    -10.55498277      4.69776221
  H      9.03391527    -12.37680607     -1.92262720
          69
 Ord_Energy   -247.978226    
 O   -3.84597683      0.166152582       3.64079714    
 H   -3.14616990      0.798435032       3.50442266    
 H   -4.43626213      0.541323721       4.32074261    
 O   -8.25577831     -0.632443726       3.15175128    
 H   -8.33638000      0.202628434       3.62801242    
 H   -7.45616531     -0.600152433       2.60161901    
 O   -4.16753817      -4.61136389       3.07708311    
 H   -4.05799580      -3.82082963       3.62866092    
 H   -4.01173449      -5.38033056       3.63982844    
 O   -5.75770283      -3.38785768       8.80404377    
 H   -5.65480661      -3.58197117       9.73184872    
 H   -6.59221172      -3.80592775       8.52160931    
 O   -4.25463295      -2.36906958       4.70473146    
 H   -5.20330858      -2.23759818       4.83007145    
 H   -3.92105889      -1.53094935       4.36200428    
 O   -6.27018166     -0.926327348       7.46698380    
 H   -6.00838947      -1.64616454       8.05171871    
 H   -6.57228422      -1.35909367       6.65275526    
 O   -9.58682156      -2.51744199       6.51871347    
 H   -10.1247110      -3.11523390       5.98447084    
 H   -8.76194096      -2.39989638       6.02770758    
 O   -4.18285418      -6.59297037       5.07135677    
 H   -3.51389623      -7.20036459       5.37775183    
 H   -4.21422434      -5.86597824       5.71947575    
 O   -10.7360992      -4.40007830       4.75820780    
 H   -11.6445713      -4.62667704       4.57833099    
 H   -10.4116354      -3.91106176       3.97959399    
 O   -8.06225681      -4.45890427       7.90764523    
 H   -8.67933846      -3.76654196       7.63967848    
 H   -8.12957096      -5.13191605       7.21883392    
 O   -7.83298254      -4.49052286       1.25157571    
 H   -7.00233746      -4.10896254      0.943117023    
 H   -7.71890068      -5.45436573       1.27608418    
 O   -4.19029522      -4.40555334       6.67116594    
 H   -4.06867838      -3.62872458       6.11120415    
 H   -4.67924833      -4.10165691       7.44496012    
 O   -9.73372841      -3.00349045       2.67380977    
 H   -9.32795048      -2.13383961       2.78276610    
 H   -9.19592094      -3.48079062       2.02835512    
 O   -6.70352364      -7.77639627       4.23269033    
 H   -5.86366892      -7.42501688       4.55151415    
 H   -7.38621664      -7.38602781       4.79410648    
 O   -6.88601637      -4.50535488       3.86382556    
 H   -7.35176373      -4.45741034       3.01835656    
 H   -5.96263885      -4.67951870       3.65304542    
 O   -5.87394857     -0.799302578       1.83855498    
 H   -5.61133909      -1.64837778       1.46528745    
 H   -5.12463188     -0.470196187       2.34921980    
 O   -8.88908195      0.123832233       7.18523502    
 H   -8.01584625     -0.125847816       7.51598740    
 H   -9.36063004     -0.709805429       7.05741739    
 O   -5.55420685       1.02355468       5.54268026    
 H   -6.44456244       1.30686760       5.30231047    
 H   -5.65363884      0.460055739       6.32120419    
 O   -8.47578430      -5.99280596       5.55588675    
 H   -7.84591961      -5.52061749       4.98856735    
 H   -9.33760262      -5.62360382       5.32779837    
 O   -5.21016550      -3.42888165      0.811888993    
 H   -4.67165661      -3.57610607       3.75721715E-02
 H   -4.78470850      -3.90968633       1.54101932    
 O   -8.31046104       1.54796517       4.94615555    
 H   -8.75311947       2.39248490       4.94117212    
 H   -8.59831333       1.08544886       5.75393867    
 O   -7.38429356      -7.17678261       1.61238742    
 H   -7.13097811      -7.40799522       2.52091527    
 H   -7.61921930      -8.00025845       1.19229972    
 O   -7.09862900      -2.15059590       5.12577343    
 H   -7.47197008      -1.56674922       4.45014095    
 H   -7.06688929      -3.04191041       4.74724245    
          69
 Energy    -247.97813661089560     
  O     17.10063031     10.91020705    -14.40140331
  H     16.63998838     10.65826932    -15.21989941
  H     14.21293114      4.79878708    -16.61333795
  O     12.77259387      5.56975366    -15.57772966
  H     17.33471978     11.82876893    -14.49826890
  H     19.43051214      4.02856414    -15.83408762
  O     17.72776646      6.29900501    -11.48466648
  H     13.06812575      5.50825884    -14.65307565
  H     19.90793039      2.76117253    -15.08287220
  O     19.34977506      4.95845258    -17.28708916
  H     11.87256542      5.25395185    -15.59807482
  H     20.90336369      8.12099883    -17.34483710
  O     16.87548285      5.34105627    -18.70934486
  H     17.30304068      6.41782069    -10.62191697
  H     20.08124279      7.81284126    -16.07005827
  O     13.83919289      8.07405611     -9.95559152
  H     17.65627281      7.14034226    -11.95380486
  H     16.93032108      7.14797177    -15.98610861
  O     13.73694644      5.63997977    -12.99657376
  H     18.54326904      5.00901514    -17.81344321
  H     16.64400480      5.91726535    -15.05264915
  O     17.30281792      8.54426910    -13.10659804
  H     19.69675306      5.85785419    -17.23162161
  H     14.58889833      3.22730608     -8.92235215
  O     16.66047093      4.07848828    -14.76705926
  H     16.16897461      5.00220911    -18.13078383
  H     14.00511812      4.39173179     -9.75938506
  O     12.73382287      5.47170979    -10.34141816
  H     16.68963984      5.01773388    -19.58679272
  H     13.46109432      7.38284557    -15.58442913
  O     19.94127142      7.96091358    -14.37242002
  H     13.56146111      8.89908890     -9.56496958
  H     14.94263505      7.64789205    -15.28538365
  O     15.01643122      4.41152808    -16.97698434
  H     14.03348429      8.26008658    -10.88903191
  H     19.28099984      5.67126303    -12.40447889
  O     19.37167662      3.54400212    -14.99048717
  H     14.00927286      6.55847276    -12.87062431
  H     19.77982216      4.83025018    -13.61196815
  O     20.11358048      7.68601182    -17.03643071
  H     14.49481800      5.09879088    -12.73534844
  H     16.62235590      4.95725094    -11.92214039
  O     16.57729767      6.87616214    -15.12862937
  H     17.11419332      7.92929211    -13.83618883
  H     15.64676373      3.95885583    -11.24564538
  O     14.82282572      3.90736787     -9.54797921
  H     17.26811968      9.44363479    -13.46884430
  H     15.39637925      7.06163347     -9.39310760
  O     14.07711249      8.08444151    -15.34773147
  H     16.40598203      3.98750334    -13.83920263
  H     15.75999383      5.58013253     -9.19462752
  O     20.00757850      5.56621998    -13.03243638
  H     17.58439818      3.80455110    -14.83654402
  H     15.03239853      9.46670108    -16.28987398
  O     15.97723417      4.25527048    -12.10181808
  H     12.96586468      6.37232992    -10.08001194
  H     16.34181107      9.33352522    -17.08912343
  O     16.14052433      6.46549588     -9.24658510
  H     12.86229466      5.45022912    -11.29877256
  H     14.20655658      8.47824724    -13.52303102
  O     15.78966406      9.96986656    -16.61469777
  H     19.21338198      8.38653396    -13.91398283
  H     15.47709857      8.47123664    -12.64737361
  O     14.51800342      8.35763105    -12.61544104
  H     20.08218969      7.12081022    -13.90768560
  H     17.18446013      7.07334926    -18.12697927
  O     17.39237886      7.86532613    -17.61389955
  H     15.54802666      4.14285710    -16.21330857
  H     18.35299754      7.89965460    -17.50763174
          69
 Energy    -247.97813282950301     
  O     15.75147658      5.65273137    -16.62747916
  H     15.73347109      6.61829359    -16.61187448
  H     17.18927017     12.20272688    -13.85134690
  O     18.83109992      7.82714811    -10.84878780
  H     14.84581896      5.38210475    -16.42998985
  H     15.92593147     11.50252842    -15.71197923
  O     14.40414233     10.14583141     -9.01439533
  H     18.16844860      7.89162647    -10.14833105
  H     14.95278745     11.82469555    -16.87166229
  O     19.36193388     10.03631752    -14.61519036
  H     18.57464286      7.08055873    -11.40155792
  H     16.23888433      8.59942784    -11.08646505
  O     17.29311704      4.13799639    -14.97281919
  H     14.17287772     10.80607381     -8.36553188
  H     15.45725631      9.70528327    -11.85737095
  O     12.97523632      7.65958670     -9.37226553
  H     14.38478324     10.58906527     -9.87912041
  H     12.48264396      4.41260543    -15.92403539
  O     13.62338871      7.26848265    -12.01861245
  H     18.68514453      9.34626086    -14.49335793
  H     13.63976717      4.50741598    -14.90402360
  O     18.99067764     10.45131086    -11.82049189
  H     20.06758376      9.64587534    -15.12319345
  H     16.10256744      7.40152383     -9.02856369
  O     15.14743712      5.82400631     -8.81644429
  H     16.81737898      4.70720302    -15.60465534
  H     15.89200114      8.93561181     -9.04688461
  O     15.35696417      8.38487935    -16.11385472
  H     17.83278065      3.54647583    -15.49047134
  H     16.20968387      5.45916746    -11.87971317
  O     17.72709404      5.91271417    -12.80604452
  H     13.60279475      7.00821650     -9.03482611
  H     14.70823629      5.85938435    -11.72912276
  O     17.30145796     11.97890381    -14.78262659
  H     13.36368583      8.52339049     -9.18564919
  H     17.46715214     13.15807204    -11.56980711
  O     15.13819857     11.18558729    -16.18905225
  H     13.21076443      7.40219033    -11.15424353
  H     17.75856726     11.66184270    -11.82647883
  O     15.87300797      8.83864136    -11.94749184
  H     14.40563484      7.84097216    -12.04365364
  H     14.10203701     11.09908771    -12.36869902
  O     13.15925121      4.99822243    -15.59434953
  H     18.98950069      9.55980825    -11.44511173
  H     15.37666161     11.75886948    -11.71150495
  O     16.52080963      8.23834051     -9.27204352
  H     19.30421194     10.35580259    -12.72755006
  H     12.96978784      6.81433070    -15.05989425
  O     15.37151906      5.20170103    -11.46940287
  H     15.24546143      5.07780682     -8.23100644
  H     13.19262968      7.51295185    -13.71112996
  O     17.09557194     12.36634818    -11.95064892
  H     15.24506381      5.48515766     -9.72314378
  H     15.60659552      3.67805381    -14.18103500
  O     14.57018395     11.25507874    -11.53310324
  H     15.30753857      9.33200600    -16.29048896
  H     14.84696052      4.05293992    -12.90317768
  O     13.09210353      7.68449271    -14.66022286
  H     14.56163295      8.15636693    -15.60856826
  H     13.16499012      9.64371768    -14.17382399
  O     14.72559049      3.68241311    -13.78579818
  H     17.62621442      6.73181728    -13.31326380
  H     13.98842522     10.81936748    -14.71962432
  O     13.48725356     10.52333284    -13.94931112
  H     17.72325151      5.21050745    -13.46870118
  H     16.67777810      8.28219383    -14.89903858
  O     17.32563270      8.28920043    -14.18252979
  H     18.07376007     11.40054940    -14.82327475
  H     16.85766136      8.57557882    -13.38239331
          69
 Energy    -247.97812605234685     
  O      1.71067591      0.86367866      3.37522512
  H      0.92953734      1.44267715      3.40368721
  H     -3.37215289     -2.21822115      4.55383455
  O     -3.47002309      0.41526370     -3.08288164
  H      2.43967761      1.37073250      3.72434455
  H     -2.32397895     -0.40608422      5.83705444
  O      0.50109857     -1.20668535      4.99559885
  H     -2.91199790      1.02816371     -2.57352928
  H     -1.92932262      1.06391120      5.99131152
  O     -4.43389970     -0.76147325     -0.68570567
  H     -3.80319979      0.90226797     -3.83185151
  H     -1.41893062      3.36549627      0.17858613
  O     -1.39631394     -1.55411782     -2.63695450
  H      0.98992214     -0.56085277      4.47531204
  H     -2.49037383      2.89082498      1.14384701
  O      0.51590170      0.35827156     -1.64005404
  H     -0.17978943     -0.71426413      5.47765906
  H     -3.95531848      0.62988155      0.38967507
  O     -4.69178168      1.89941510      3.48884171
  H     -4.29894251     -0.41081869     -1.57374695
  H     -2.94907847      0.72657702      1.56466850
  O     -2.94539668     -3.81962404      3.96915951
  H     -3.73936136     -1.42332221     -0.54705266
  H     -2.50491053     -0.49360950      3.46561710
  O     -0.61875428      2.27675669      3.35918381
  H     -2.08966705     -0.96691492     -2.96112498
  H     -1.44845520      0.59264401      3.06470459
  O     -1.83852895      1.84372751     -1.39476969
  H     -0.68138184     -0.97717443     -2.33934874
  H     -2.03979489     -2.44454615     -1.21994170
  O     -6.08271042     -0.54023251      3.86354018
  H      1.28787770      0.56434013     -2.16077350
  H     -1.73327562     -2.55754378      0.30184441
  O     -3.51258132     -1.28140186      4.76109083
  H      0.83631577      0.11831079     -0.75212489
  H      1.54728483      0.08059499      1.64899695
  O     -1.61468161      0.16983106      6.15950921
  H     -5.24796494      1.13366408      3.68169269
  H      0.74144292     -1.09581648      1.06495130
  O     -1.69624772      3.44142317      1.09548479
  H     -4.42417387      1.79235597      2.56909603
  H     -3.42965629      2.41337213      4.61378514
  O     -3.48420177      1.25765704      0.95223517
  H     -3.24106211     -4.00895815      3.07081301
  H     -2.98541657      3.44023773      5.67851260
  O     -1.98183011     -0.13951360      2.73268659
  H     -1.98061282     -3.86164229      3.96684445
  H      0.12452575     -2.77179595      4.38601159
  O     -2.42109829     -2.69531413     -0.36672053
  H     -1.24577261      2.51225375      4.05549091
  H      0.52808997     -4.26218871      4.28849446
  O      1.31373395     -0.35466260      0.82182274
  H     -0.87951667      2.76220682      2.56314294
  H     -1.08332559     -1.47660707      2.01565140
  O     -2.68677860      2.68296546      5.18180949
  H     -0.99451268      1.37119463     -1.43375851
  H     -0.35692729     -2.81092946      2.32745727
  O     -0.09563827     -3.62123836      3.95947319
  H     -2.26787782      1.59628619     -0.56600260
  H     -3.43171383     -3.73840869      0.65696808
  O     -0.59733214     -2.21273471      1.60989246
  H     -5.99546808     -1.02807960      3.02473051
  H     -4.24295518     -5.02210323      0.93826357
  O     -3.99232049     -4.18200002      1.31531592
  H     -6.94571696     -0.74561267      4.21258509
  H     -5.22608474     -2.73542197      1.57033602
  O     -5.72012490     -1.90680839      1.55757629
  H     -4.43157505     -1.06861789      4.56610923
  H     -5.46933388     -1.46903283      0.73475752
          69
 Energy    -247.97808815162202     
  O     11.61172377     10.31423001    -11.30277716
  H     12.12497764     10.91385106    -11.85678817
  H     18.90485126      5.46225213    -15.94344964
  O     13.70782500      7.45037828    -14.96253093
  H     10.90873947      9.96935774    -11.86682124
  H     16.02243983     11.57536571    -15.28766783
  O     17.78807749     10.57176149    -10.88111339
  H     14.47273862      7.85102537    -14.51945328
  H     15.59611987     13.02329415    -15.61695991
  O     17.18794772      8.37170802    -16.96863762
  H     13.91199126      7.45344535    -15.90513974
  H     15.63426646      9.05734470    -12.89891212
  O     11.95017452      9.61213948    -14.81965272
  H     18.28182155     10.52547878    -11.70737607
  H     16.35309329      9.12585668    -14.26811783
  O     15.57281688      6.72535526     -9.80186804
  H     16.84860745     10.56524483    -11.11843904
  H     18.81941087      7.63426594    -11.22073609
  O     12.99923661      6.24357974    -12.58321953
  H     16.28484206      8.21422165    -17.26708630
  H     18.51193687      6.91090867    -12.54623921
  O     15.14248304     10.19610933    -11.59793354
  H     17.53544937      7.51427503    -16.68516055
  H     10.07604727      6.11671014    -11.31870705
  O     14.41801210      8.04262595    -17.62648723
  H     12.48863554      8.80795713    -14.83897488
  H     11.23365118      6.34602153    -12.30300315
  O     15.23565724      4.80492049    -11.64253270
  H     11.14281778      9.40865198    -14.33337026
  H     20.23641668     10.21547798    -13.32109513
  O     17.31389706     10.38691698    -15.19222762
  H     16.37586252      7.25126953     -9.70270762
  H     19.28711491      9.06493818    -12.92059590
  O     18.07478558      5.93275861    -15.95903441
  H     14.83158347      7.33902939     -9.88702933
  H     16.63991646      6.94948250    -13.46355128
  O     15.25688756     12.17220373    -15.35085638
  H     13.71320112      5.65311311    -12.31348992
  H     16.48315906      5.53964105    -12.83617696
  O     15.86113371      8.53859180    -13.68096470
  H     13.20930470      6.56446075    -13.47194606
  H     17.92062881      9.08785422     -9.97737975
  O     19.13914481      7.51156061    -12.12311592
  H     14.57623523      9.55956177    -11.14095400
  H     18.45312466      8.29885965     -8.75930514
  O     10.29841124      6.54877639    -12.14011729
  H     14.56310113     10.73374920    -12.15576752
  H     14.12347824     11.13833982    -16.51236106
  O     19.31564787      9.96896346    -13.28169109
  H     14.11954959      8.95776618    -17.47545124
  H     12.83698607     10.31439745    -16.31625571
  O     17.06776716      6.08320791    -13.37555493
  H     14.10210134      7.78851240    -18.48952327
  H     12.68580582      8.96967358    -10.72542929
  O     17.99084652      8.19818697     -9.58753085
  H     15.39638977      5.45114390    -10.92880873
  H     13.21360530      7.62994792    -11.30430707
  O     13.53092953     10.52132990    -16.95748794
  H     15.29066806      3.93798347    -11.25017902
  H     14.01191919     11.85738215    -13.95430420
  O     13.37460790      8.29590470    -10.62335491
  H     18.07220655     10.29110942    -14.60205878
  H     12.87676987     10.82675709    -13.82507466
  O     13.39502687     11.47093257    -13.32035472
  H     17.37775246      9.72424255    -15.90095734
  H      9.90590024      8.13490957    -12.78506906
  O      9.78229532      9.03845223    -13.12339949
  H     17.72654831      5.88519852    -15.05513519
  H      8.84424638      9.16473308    -13.23989241
          69
 Energy    -247.97788866291623     
  O     21.59198347     11.93807429    -17.89753571
  H     21.84919153     12.06939180    -18.80746820
  H     15.74551295     10.33376175    -12.99627237
  O     16.27625830     17.83245802    -14.51332377
  H     21.75991230     12.78008364    -17.44989063
  H     21.27382372     16.31083421    -15.93631537
  O     15.48011639     13.23902956    -13.66801021
  H     16.37423416     17.71285949    -15.47476253
  H     20.30561589     17.15406666    -15.06673625
  O     16.92647980     11.71877899    -17.39301103
  H     15.84340082     18.67351024    -14.38932140
  H     17.20983686     13.03961218    -13.03261071
  O     17.41779230     10.18004378    -12.52135177
  H     15.44022786     13.46432208    -14.60885170
  H     18.25002257     13.74053009    -12.13064161
  O     15.98130540      9.61936434    -15.88631134
  H     15.13407907     12.34369551    -13.57023249
  H     18.96827476      9.61482881    -15.42335093
  O     21.52304635     14.40185125    -16.49060649
  H     16.48441182     12.48339789    -17.00139823
  H     19.10456142      8.16577719    -14.90578721
  O     19.33705899     15.08655385    -18.13293936
  H     16.51672511     10.93848072    -16.99065933
  H     14.77022569     15.54424341    -19.34490613
  O     15.76410764     15.79866953    -12.53893678
  H     17.78264637     11.06978256    -12.42947382
  H     16.11072367     14.82957665    -19.05438926
  O     19.96352185     12.93379789    -14.65412853
  H     17.90883836      9.74826745    -13.23244592
  H     18.80031726     16.49364977    -13.02905294
  O     19.40711862     17.89106613    -18.00579201
  H     16.79614637      9.24038091    -15.53447203
  H     18.02080124     17.39157152    -14.02767882
  O     14.86741218     10.51119921    -13.38082597
  H     15.47682981      9.90526197    -15.11524122
  H     17.58363786     17.70397227    -17.50290578
  O     20.88726978     17.18873691    -15.83834228
  H     21.10124430     13.94446028    -15.74818548
  H     16.28686427     16.88521724    -17.74438615
  O     18.08441965     12.93214839    -12.62990762
  H     20.82241263     14.61161125    -17.12752250
  H     17.31083954     15.65146480    -11.77718761
  O     18.58521525      8.96069387    -14.81457023
  H     19.39796995     16.03300136    -18.31233489
  H     18.29517314     15.79511461    -10.58692387
  O     15.46708518     15.46818175    -18.69870480
  H     18.86502340     15.01386788    -17.28797051
  H     20.16958555     11.18399596    -17.07199422
  O     18.86428051     16.94079401    -13.88243664
  H     15.51729790     14.94032621    -12.90996329
  H     18.60610655     11.25203373    -16.90016394
  O     16.69452009     17.54055626    -17.16558371
  H     15.79327573     16.42820845    -13.26940331
  H     18.40613235     15.60229767    -15.06091223
  O     18.23885546     15.52933185    -11.50081043
  H     19.79519429     12.16386382    -15.21585641
  H     18.78234375     14.11937462    -15.28819708
  O     19.42993687     10.93709595    -16.49994510
  H     19.40979903     12.84850459    -13.86589924
  H     18.13431459     14.06872668    -19.11840676
  O     18.22115121     14.83539954    -15.61550361
  H     19.81535853     18.60307399    -18.49058028
  H     17.22152357     12.83894507    -18.90645563
  O     17.33248925     13.63493052    -19.44262901
  H     19.96837294     17.72305490    -17.22693274
  H     15.43753021     14.51946831    -17.05603332
  O     15.72551275     14.01864246    -16.28531982
  H     14.23186519     10.04131204    -12.84759632
  H     16.59115120     14.38074051    -16.03152917
          69
 Energy    -247.97778536514369     
  O      1.01021836     -0.80744875     14.84602292
  H      1.66713807     -0.13225041     15.05505989
  H     -4.02669935      1.01712053     18.70795938
  O     -5.19847291      0.60615076     17.44267906
  H      1.05196149     -1.44418491     15.56925602
  H     -3.84762694      4.81052814     18.56603694
  O     -2.06772719      4.48742733     18.07769860
  H     -4.57802665      0.27671340     16.77741858
  H     -4.76105036      4.25854192     19.66860398
  O      1.35583487      1.51023955     19.82742954
  H     -5.52183042      1.45842555     17.12451923
  H      2.07468268      1.88148773     15.89029876
  O      2.69340077     -0.29302387     18.14932456
  H     -2.31180815      3.86159051     17.38038160
  H      3.48708378      1.68017816     15.29110748
  O     -2.93139209     -0.01370469     15.89640452
  H     -1.24554272      4.90880557     17.80420849
  H      1.77729201     -1.66529010     17.63048318
  O     -1.27494972     -0.04936718     13.61397474
  H      0.93923008      1.33748414     20.68008826
  H      1.61809226     -3.19343206     17.43153738
  O     -1.84676428     -0.78018562     20.46619360
  H      0.62211482      1.51790488     19.19202629
  H     -0.35129374      1.93651369     17.31292756
  O     -5.73537646      3.31422159     16.66788321
  H      2.34187450      0.30298435     18.82383300
  H     -0.84377914      0.54801049     17.84633581
  O     -1.55887584      3.71006243     20.75631849
  H      2.85384275      0.25117053     17.36786600
  H     -1.13960557      1.85078758     13.77394944
  O      0.69367057      2.92484262     16.10796914
  H     -2.46001693     -0.08311310     15.05733312
  H     -1.85009614      2.92471487     14.62141709
  O     -3.36318010      1.29063699     19.35861851
  H     -2.42819829     -0.53426131     16.53895920
  H     -2.96075147      1.85513857     16.08244831
  O     -4.77704980      4.69397756     18.80838080
  H     -0.44669153     -0.34627884     14.03227898
  H     -3.98022757      3.02420977     16.11616815
  O      2.78449374      1.23024903     15.75285943
  H     -1.34952013     -0.52047176     12.78837550
  H     -0.47110167     -1.71635320     17.62658953
  O      1.21079352     -2.35422597     17.23672602
  H     -1.29256196     -0.23204658     21.03195678
  H     -1.45247486     -1.23287438     18.74596560
  O     -0.77065865      1.48932283     18.05846278
  H     -2.54795181     -0.17987805     20.17400384
  H     -3.98572271      2.41953485     20.53406990
  O     -1.07850963      2.77184309     14.05690006
  H     -6.46183807      3.77476730     16.25729578
  H     -4.86969092      2.71415557     21.77041764
  O     -3.04084226      2.81823756     16.03447785
  H     -5.48349120      3.83025692     17.45447969
  H     -0.45834282      1.54821302     22.85992515
  O     -1.28592076     -1.22678864     17.79113777
  H     -2.45903011      3.66633568     21.10233242
  H     -0.88063561      2.16123521     21.50874975
  O     -4.26964243      3.11992475     21.15085029
  H     -1.66673975      3.88626870     19.80977120
  H      0.26355219      4.28309372     20.41565032
  O     -0.49615756      1.37152134     21.92284876
  H      0.69987064      3.80542572     16.50120815
  H      1.40961055      3.40817432     19.90049161
  O      1.10940518      4.32551363     19.95211140
  H      0.12389241      2.93809212     15.32289083
  H      0.85003616      5.04347686     18.38803126
  O      0.57635411      5.35269256     17.50525199
  H     -2.53920055      1.48844606     18.89588220
  H      0.93673464      6.22766999     17.39119487
          69
 Ord_Energy   -247.977783    
 O   -1.66497529       3.61384726       5.93192768    
 H   -2.63411069       3.59478760       5.91939020    
 H   -1.40733671       4.11090136       6.71763849    
 O   -3.63298249       3.87342000       9.14285946    
 H   -4.06892300       4.52403784       9.68821812    
 H   -2.74379158       4.21652222       8.95592308    
 O   -4.35848093       3.27956057       6.37299061    
 H   -4.54442501       2.33916593       6.24965525    
 H   -4.29023218       3.42422891       7.32426167    
 O   -2.07171059      -4.72063351       3.96187449    
 H   -2.24548221      -4.19244242       3.17316651    
 H   -2.45369577      -4.21837091       4.69670343    
 O  -0.132280305      -2.81196761       6.99713182    
 H   0.182197437      -3.40943527       6.30743456    
 H   0.200343713      -1.92654419       6.77831173    
 O   0.509913206      -4.40366554       4.75568533    
 H    1.04052913      -5.18645620       4.63139725    
 H  -0.390357077      -4.62419748       4.45603752    
 O  -0.339549810       6.42741621E-02   3.74769020    
 H   -1.27981830     -0.136710703       3.83538890    
 H    5.77508099E-02 -0.698180258       3.30112672    
 O   -4.82339859      -1.92947602       7.57619715    
 H   -5.63510704      -2.34984732       7.84633207    
 H   -4.29864216      -1.78190267       8.38460159    
 O   -3.53451706E-02  0.535156965       10.1027164    
 H  -0.958967686      0.822007358       10.1220980    
 H   -6.96956217E-02 -0.418093771       9.97296715    
 O   -4.31872606      0.449682713       6.06339502    
 H   -4.65480757     -0.300367922       6.56765223    
 H   -3.41443872      0.598104477       6.38489532    
 O   -2.36778283      -2.68839550       1.96640766    
 H   -2.82375884      -2.52564406       1.14451480    
 H   -2.66824865      -2.00735807       2.59079838    
 O   0.526775897       2.65776730       4.47040749    
 H   0.221363544       1.83922410       4.05704975    
 H  -0.255183578       3.08212543       4.84932566    
 O   0.786755562       2.81366324       8.75748730    
 H   0.599638641       2.00400901       9.25435734    
 H    1.34982502       2.56398320       8.01624393    
 O   0.612641275     -0.294598579       6.31119347    
 H   0.328750163     -0.190123886       5.38970375    
 H    1.27957046      0.381966829       6.47652149    
 O  -0.521665156      -2.31235147       9.67499733    
 H  -0.106270887      -2.97532129       10.2217684    
 H  -0.348918229      -2.56521654       8.75374794    
 O   -2.97292161     -0.935711682       4.02678537    
 H   -3.56562138     -0.325547665       4.48067188    
 H   -2.82401800      -1.64954519       4.66611385    
 O   0.407223970      -2.35088372       2.68702722    
 H  -0.460299492      -2.55143547       2.31267595    
 H   0.561924875      -3.01615453       3.36752057    
 O   -2.70441723       1.24106944       9.57430935    
 H   -2.35161209       1.13536477       8.67584991    
 H   -3.12628722       2.10588837       9.58945656    
 O   -1.77745748       1.01122308       6.98460817    
 H   -1.65702689       1.89783978       6.61804867    
 H  -0.946360469      0.537912726       6.86767197    
 O    2.23433256       1.99101770       6.45693254    
 H    1.68097603       2.29919004       5.71543264    
 H    3.14108944       2.15264845       6.21186590    
 O   -3.25484204      -1.46881008       9.70003510    
 H   -3.16532421     -0.508280098       9.78122520    
 H   -2.36050987      -1.82440054       9.76003933    
 O   -2.74761176      -2.90609980       5.96643209    
 H   -1.91125107      -2.83885932       6.44525337    
 H   -3.46518826      -2.65110254       6.55933666    
 O   -1.05941033       4.72241974       8.48305702    
 H  -0.623715520       5.55884457       8.62242794    
 H  -0.388288856       4.02952957       8.63240528    
          69
 Energy    -247.97771544939980     
  O     12.87848790     11.46009398    -14.72673181
  H     13.23050615     11.51706895    -13.82854353
  H     15.29772278      5.92620242    -16.00353467
  O     13.59132331      5.83690371    -16.64307325
  H     13.61116129     11.15842892    -15.28122336
  H     15.55892227      7.63829006     -9.85681486
  O     13.73369082      6.22970086    -12.01421795
  H     13.08618785      6.59844740    -16.32568681
  H     15.09876064      6.55903099    -10.86475399
  O     18.03279956      5.15568080    -10.59757004
  H     13.19608203      5.07543638    -16.20327638
  H     14.01046782      9.41910311    -13.00119918
  O     12.60026122      3.75516054    -14.82860303
  H     12.83529766      6.01951533    -12.29558036
  H     14.96633309      8.56633332    -13.88562577
  O     10.59014455     10.04385627    -14.60701289
  H     13.93246361      7.07563311    -12.44747719
  H     15.67784330      9.84061036    -15.75017910
  O     14.87407167      9.18086039     -9.25553981
  H     18.67966211      5.70490331    -11.05544143
  H     15.08411533     10.20222832    -17.11442864
  O     19.62524928      6.74915643    -12.41474665
  H     17.28596026      5.73489314    -10.38744439
  H     10.80447439      7.59109253    -12.47226406
  O     12.21096603      7.86322605    -15.27652927
  H     13.44712059      3.79717033    -14.35324136
  H     10.64654202      9.04244684    -12.97454285
  O     17.31684427      3.22811072    -12.34526036
  H     12.44186452      2.83451181    -15.02225650
  H     14.58035087      4.87639376    -12.83764809
  O     18.49393626      5.07249603    -14.22361529
  H      9.86563840     10.54050826    -14.97631374
  H     15.69594879      3.78340022    -12.99638480
  O     16.03946024      5.88752630    -15.38268672
  H     11.38169523     10.61007981    -14.67117026
  H     11.58104934      6.59307397    -14.11684767
  O     15.87592178      6.90904276    -10.40947495
  H     15.40140146      9.84473947     -9.71552455
  H     11.55645926      5.08774370    -13.85002323
  O     14.14023548      8.54469287    -13.38614029
  H     13.96265425      9.31373966     -9.54537043
  H     11.73288276      9.26793871    -10.92170098
  O     15.06780139     10.44927888    -16.19187634
  H     19.27191170      6.17750542    -13.12057551
  H     11.61808876     10.12684314     -9.64640570
  O     10.77628849      8.50844347    -12.17981728
  H     20.56909743      6.79114272    -12.54061719
  H     16.44403096      7.61084671    -15.01934026
  O     14.93436460      4.19215559    -13.42521190
  H     11.55767763      8.57209683    -15.26076738
  H     16.97503811      8.54632737    -13.88605165
  O     11.34311694      5.93618215    -13.44410401
  H     12.91365012      8.14518760    -14.67166713
  H     13.29784483     10.74944498    -11.45421579
  O     12.24746470      9.78297280    -10.27591425
  H     17.62046891      2.37171255    -12.05732945
  H     14.78060300     11.10122125    -11.78487990
  O     16.54213010      8.53659982    -14.74978432
  H     17.56649891      3.86470419    -11.65094731
  H     17.15249376     11.45793136    -10.85672874
  O     13.88835310     11.06429562    -12.15205167
  H     17.76869261      5.35212625    -14.79643874
  H     16.89643577     10.05311448    -11.44658458
  O     16.46464953     10.82316901    -11.04162474
  H     18.15234944      4.33764949    -13.69911255
  H     18.30594728      7.99178342    -12.18097646
  O     17.47282128      8.47298046    -12.09402980
  H     15.72101232      5.32090005    -14.66704008
  H     16.88534446      7.91411309    -11.56379585
          69
 Energy    -247.97756676161379     
  O     14.15337971     13.50249296    -13.84444818
  H     14.72439839     12.71541331    -13.83056106
  H     15.15730805     11.08307725    -17.69304331
  O     15.46787048      9.24151887    -17.97297695
  H     13.54429058     13.37575161    -14.58287726
  H     13.52590354     12.49337975    -16.68220031
  O     15.34727667      8.49724879    -11.78086037
  H     15.44505559      8.78057188    -18.80829714
  H     12.08412263     13.06477840    -16.72888551
  O     14.03551795      7.97994171    -15.99942698
  H     14.90157168      8.74027656    -17.36246051
  H     17.88070523     13.13037434    -12.43445483
  O     14.27705758      5.97729691    -11.23898924
  H     15.93486889      9.19525681    -11.46132700
  H     18.50767231     12.11613080    -13.42258756
  O     15.15739731      4.80388878    -13.52477720
  H     14.46963207      8.89162890    -11.87771127
  H     12.98110816     11.30516402    -11.56153446
  O     15.62242635     11.18829018    -13.81694147
  H     13.62242330      8.77191884    -15.62414850
  H     13.30450351     12.67738579    -12.20836417
  O     12.75396570      9.53849740    -12.17375914
  H     14.76787892      7.74994874    -15.40659938
  H     16.98214904      9.02701078    -16.78141078
  O     16.09747223      7.37854591    -14.23633844
  H     13.35355205      6.21519287    -11.38401303
  H     17.21709715      8.36234656    -15.40809068
  O     18.04503301     11.47319803    -15.12252667
  H     14.76157966      6.81536997    -11.26293760
  H     13.03073391      6.58653705    -15.16927985
  O     13.22005066     10.29288870    -14.78544990
  H     15.52354971      3.93362190    -13.39487486
  H     13.50021368      5.41880681    -14.28522089
  O     14.95089451     12.00532559    -17.49812169
  H     14.88098625      5.12836582    -12.64823534
  H     15.15609372     13.04399325     -8.94525896
  O     12.74586412     12.71576343    -16.13892533
  H     16.42843457     11.27731453    -14.34282671
  H     14.53928017     12.63970261    -10.30781881
  O     18.51647860     12.40614610    -12.49996165
  H     15.90137304     11.02316386    -12.90794182
  H     15.49635313     14.57577444    -14.79089527
  O     13.21641440     12.22157738    -11.36454049
  H     12.78231961      9.76785707    -13.11445112
  H     16.77487203     14.99594931    -14.08883683
  O     17.61700760      8.95361613    -16.05954091
  H     12.29350374      8.69231868    -12.10685566
  H     16.29931844     11.41939993    -10.62787406
  O     12.72082876      5.93483475    -14.52816626
  H     15.94060969      6.44002573    -14.07417747
  H     17.50004460     11.23756047    -11.59112621
  O     15.37410398     12.85511621     -9.85368839
  H     15.90663287      7.83197494    -13.40286441
  H     12.00544803      6.57367103    -13.05676750
  O     16.38022728     14.92361810    -14.96390405
  H     17.93413689     12.09045233    -15.85413726
  H     10.85081433      6.55398002    -12.02783743
  O     16.72487629     10.78833470    -11.22084119
  H     18.03300469     10.57180380    -15.48073801
  H     15.55047865     14.18670916    -12.61563435
  O     11.71486656      6.92138321    -12.19462872
  H     12.87769624     11.05568936    -15.26431134
  H     16.15635684     13.96172757    -11.23488796
  O     16.36440469     14.30907522    -12.11173221
  H     14.11652141     10.52919571    -14.49346085
  H     17.90858610     13.95781904    -17.61665982
  O     17.35767323     13.44236421    -17.03335050
  H     15.79064198     12.47445429    -17.42556242
  H     17.05869433     14.04063604    -16.32595934
          69
 Energy    -247.97745611574928     
  O      3.46142970      1.61825134     -0.22989651
  H      3.06407322      1.11619771      0.50292301
  H     -0.04950840      2.05601193     -0.25405770
  O     -1.60116093     -2.24636222      0.38628914
  H      4.40752184      1.53572252     -0.13626380
  H      1.94127398      0.95421505      2.55735390
  O     -2.40362909      1.88361704      1.76082272
  H     -2.29480682     -1.57473710      0.41228150
  H      1.61452442     -0.42591514      1.92678694
  O     -0.81197309     -3.59922166      4.05127709
  H     -1.96288474     -3.03602677      0.81254236
  H      1.31394058      4.36099133      1.90189824
  O     -2.91491115      3.18781917     -0.82964593
  H     -2.28208352      2.77804478      2.11442758
  H      1.47747005      5.21916224      3.17899414
  O      0.37531300      2.29469787     -3.84961695
  H     -1.60538165      1.65678070      1.25276765
  H      1.47963702     -0.05027738     -2.18381545
  O     -1.83714476      4.42655934      2.50859027
  H     -0.33161672     -2.94448732      3.51842192
  H      2.58263775      0.96274955     -1.78477605
  O     -4.61322834     -2.05516718      2.58029989
  H     -0.15640831     -4.08310222      4.54713767
  H     -4.73118675      0.70534796     -2.55426473
  O      1.28522764      1.90871900      3.87325603
  H     -2.89459754      2.90433818      0.09037750
  H     -3.19024576      0.61675845     -2.45298412
  O     -3.67481685     -0.31008012      0.63496110
  H     -3.34502076      2.46208810     -1.29897715
  H     -0.25213170     -0.84384137      2.92345619
  O     -1.68745821      0.39687036     -3.24959874
  H      1.04456684      1.71121876     -3.44631794
  H     -0.37939256     -1.77658470      1.68088290
  O     -0.17748975      1.28931971      0.32125296
  H      0.72711838      2.58165479     -4.68760767
  H      2.51330482      3.26731271      0.09592717
  O      2.08094243      0.40415797      1.76923167
  H     -0.87941520      4.51668334      2.62842962
  H      1.20852576      3.97834929     -0.33581789
  O      0.93396081      4.54431921      2.77993642
  H     -2.13570620      5.24872168      2.12568514
  H     -1.17379998      3.51135051     -1.26742518
  O      2.05713718      0.64480335     -2.52839189
  H     -4.36723520     -1.43575098      1.87448681
  H     -0.03358454      3.18744799     -2.28203842
  O     -4.00445047      0.77569280     -1.94098691
  H     -5.56667963     -2.05812039      2.62091912
  H     -3.46844808     -3.58529331      2.24266605
  O      0.18280540     -1.56152982      2.43862026
  H      1.10848704      2.81761242      3.60476246
  H     -2.12221696     -4.14641131      2.74080466
  O      1.91630978      3.98865723      0.32431639
  H      0.43016389      1.48747248      4.03801917
  H     -1.67934184      0.97418267      3.23721942
  O     -0.21289558      3.50285432     -1.38720366
  H     -3.87114239     -0.01157214     -0.26248947
  H     -1.73695166     -0.16846124      4.28970062
  O     -2.73763705     -4.16695554      1.99685023
  H     -3.32195854      0.45716679      1.10744761
  H     -0.09820259     -0.10367265     -0.82878381
  O     -1.14523997      0.46724777      3.85976318
  H     -1.13290912     -0.17596995     -2.70191747
  H     -0.48858097     -1.58113596     -0.93315564
  O     -0.01974761     -0.88077817     -1.40378499
  H     -1.09768490      1.08197712     -3.58341829
  H     -3.44716634     -1.73124286      4.06549355
  O     -2.74793266     -1.58097910      4.71359159
  H      0.62854309      1.13044477      0.82741218
  H     -2.15614504     -2.34051946      4.64392128
          69
 Energy    -247.97742118533554     
  O     18.12100571      8.85625556    -10.75495655
  H     17.81012818      8.02882706    -10.36518294
  H     18.30372631     12.01083170    -10.56284365
  O     14.24443084      9.62236879    -10.86492368
  H     17.39311172      9.26255751    -11.24202335
  H     18.96351019     10.48125462     -8.17775876
  O     19.75294007      3.13105931    -11.50856865
  H     14.75743724      9.83198118    -10.06295786
  H     18.54532982     10.12507057     -9.61783676
  O     21.39003598      7.05836902    -12.02462094
  H     13.36081760      9.94902514    -10.72001214
  H     19.98647531      9.91339611    -13.07176117
  O     15.79636764     10.20837467     -8.73520953
  H     19.89269218      2.19564652    -11.39244788
  H     19.23357419      8.94381273    -12.12071620
  O     17.96114906      5.42924062    -14.64512074
  H     18.83789592      3.24413831    -11.82560115
  H     20.34165413      4.24723368    -12.97250066
  O     22.78076466      8.58474405    -10.10125742
  H     21.98765483      7.52379053    -11.42694806
  H     20.90685316      5.66509572    -13.16866780
  O     16.83290198      8.07779724     -7.34137486
  H     20.84680212      7.73753039    -12.45076465
  H     17.37950701      4.25102280    -13.23470296
  O     20.94668437      7.47302569     -8.22332553
  H     16.60717358     10.71968767     -8.78472191
  H     16.61293360      4.02969303    -11.90887879
  O     19.42148936      9.24493239     -6.84830434
  H     16.02684293      9.43615819     -8.19452303
  H     15.53653097     10.20077714    -12.03954713
  O     17.47454956      6.45662169     -9.53920671
  H     17.92983497      5.08372838    -15.53419470
  H     16.51440479      9.68496355    -13.14609235
  O     18.16946844     12.29217041    -11.47586648
  H     18.87580297      5.30657898    -14.33273397
  H     21.15525327     11.21106372    -11.16579427
  O     18.73374358     10.87581257     -9.02896165
  H     23.69913613      8.79776995     -9.95943653
  H     20.53440580     10.95457444     -9.77818327
  O     19.68701601      9.00137609    -12.97857754
  H     22.30124065      9.43054624    -10.16609712
  H     15.78185769      7.50271972    -12.74518524
  O     20.44055175      4.95193554    -13.62436976
  H     17.03400398      7.41989894     -8.02129267
  H     14.73827010      8.00621280    -11.70627461
  O     17.28990061      3.65153515    -12.48414822
  H     17.68601732      8.42403411     -7.05331426
  H     18.08703062      8.37974130    -13.68565421
  O     16.39056545     10.35761317    -12.46460099
  H     21.64237470      7.84270397     -8.78068435
  H     17.36183890      7.14590021    -14.22895467
  O     21.34995731     10.86863075    -10.28472668
  H     20.61464537      6.70437506     -8.70280295
  H     20.70242530     12.41963452    -13.42925744
  O     15.07714625      7.21909699    -12.14975529
  H     19.79768391      9.34722676     -5.97816674
  H     19.60878688     12.02054394    -12.40761357
  O     17.20539878      8.03794260    -13.89274569
  H     19.97276719      8.59174627     -7.31589873
  H     15.24541776      5.74484345    -11.30957277
  O     20.42892553     11.72130164    -12.84131672
  H     18.34047293      6.05918448     -9.70765406
  H     14.63820344      4.64198301    -10.40283349
  O     15.45321313      4.94243355    -10.79527082
  H     16.80220730      5.87764590     -9.91579394
  H     19.97941800      4.64312633    -10.44532238
  O     20.02117977      5.53934051    -10.08999541
  H     17.48576335     11.71571742    -11.84676549
  H     20.45052815      6.07875835    -10.76925355
          69
 Energy    -247.97730479833660     
  O      0.84362473     -0.72399493     -1.97417232
  H      0.73856079     -0.05749526     -2.64807307
  H      0.21133236     -5.39048794     -2.87985538
  O     -1.46522063     -2.33624661      3.99152085
  H      1.78438435     -0.71812738     -1.72201591
  H      2.79035241     -5.05633569     -0.48300201
  O     -1.41290302     -4.76267430     -0.25462320
  H     -1.86028419     -2.50000838      3.11487963
  H      3.52445752     -3.91331943     -1.26870337
  O      4.54932943     -5.31991405      2.48900608
  H     -2.18841532     -2.21600512      4.60044315
  H      0.18606004     -5.56659423      2.43386628
  O      3.61880503     -1.16379939      1.61239092
  H     -0.86750385     -4.28915437     -0.89920460
  H     -0.41256029     -5.59275394      1.00335339
  O     -0.63244136     -8.49299714      0.45693302
  H     -1.81298509     -5.50872140     -0.71646075
  H      5.00656957     -2.36009420      1.34133730
  O      2.70877279     -6.42271481      0.74305048
  H      3.92720441     -5.74563151      1.87708303
  H      5.30637138     -3.85870132      1.56258130
  O     -2.33029875     -2.72137580      1.46460236
  H      5.09948383     -6.01690819      2.84027796
  H      0.96289187     -3.70655955      2.67470260
  O     -0.38726989     -1.00591431      0.54255666
  H      2.89188736     -1.79507868      1.49714949
  H     -0.11476933     -3.58103121      3.78415670
  O      1.52444494     -2.94306755      1.17213957
  H      3.53460464     -0.84641093      2.51808877
  H      3.71266199     -4.11872048      3.77408257
  O      2.94344620     -0.84447972      4.30579975
  H     -0.38081022     -7.71288990      0.98138044
  H      2.26727531     -3.85129711      4.21824082
  O      0.21421941     -6.35127197     -2.96159490
  H     -0.69768243     -9.22379270      1.06636376
  H      1.32548104     -7.42508062     -1.92595729
  O      2.66114281     -4.25512535     -1.00599850
  H      1.83987909     -6.26811436      1.13857779
  H      0.97283077     -8.35888195     -0.75812545
  O      0.06361623     -6.12745489      1.65671768
  H      2.55211299     -7.05663701      0.02614232
  H     -2.92802374     -7.67214298     -1.76235538
  O      5.58361206     -3.08399049      1.05943759
  H     -1.78121615     -2.02519699      1.07243205
  H     -1.68680334     -7.74992429     -0.84340363
  O      0.60929585     -4.13769705      3.47164540
  H     -2.17037877     -3.49823685      0.91558654
  H      5.87843199     -3.21954750     -2.11941600
  O      3.18143309     -3.56517528      4.35677926
  H      0.02367048     -0.68847246     -0.26876950
  H      5.39075822     -3.07611022     -0.65400172
  O      1.71816769     -7.98967535     -1.24334432
  H     -0.04360252     -0.53003101      1.31493865
  H     -0.24021888     -0.89893562      3.50070317
  O     -2.14352054     -7.19793441     -1.49824484
  H      1.89554547     -3.36227884      0.38586994
  H      1.22348526     -0.41684216      3.52017864
  O      5.10725064     -3.04868313     -1.58677565
  H      0.81287254     -2.34991163      0.89448312
  H      1.15431517     -3.85495884     -1.81426706
  O      0.37425046     -0.28115941      3.08455276
  H      3.06418702     -1.80840749      4.37569930
  H      0.33273710     -2.60854962     -2.18891711
  O      0.28104512     -3.56826935     -2.12744687
  H      3.31079781     -0.46427787      5.09901713
  H      4.03625048     -1.44311510     -1.45132174
  O      3.42807415     -0.75392533     -1.16047712
  H     -0.64580120     -6.64046347     -2.63431134
  H      3.53327250     -0.70532654     -0.20046713
          69
 Energy    -247.97715429703410     
  O     19.87623068     11.13961385    -10.78644234
  H     19.46745192     11.10400689     -9.90769760
  H     18.79891212     11.14800176    -12.27030068
  O     18.60115779      6.89557994     -9.26745939
  H     20.83161647     11.20435677    -10.67291197
  H     22.60177126     10.09670159     -9.87944137
  O     19.82824706      5.13229921    -12.27052880
  H     18.03884275      6.28390618     -9.76416051
  H     23.34779056     11.40418474    -10.23561194
  O     22.39374792      8.77861210     -8.76263075
  H     19.06430234      7.43546439     -9.93293997
  H     19.31960364      7.80354295    -12.83435878
  O     17.19668393      5.35873042    -11.05323538
  H     19.67362559      5.78664162    -12.96688418
  H     19.58071338      8.14212618    -14.30679432
  O     22.16246999      6.94600033    -11.93439480
  H     18.95704758      4.99304038    -11.87535500
  H     20.52249054      4.82548432    -10.51410809
  O     19.97573024      8.31059802     -7.30607452
  H     22.74483199      7.89255630     -8.91256986
  H     20.01762516      5.53029594     -9.26037797
  O     14.19145398      7.64970221     -9.37205701
  H     21.60532840      8.66712236     -8.21823631
  H     14.82270465      6.48265821    -13.07511066
  O     23.15866129      6.12622043     -9.42139696
  H     16.99937287      5.98347566    -11.76817546
  H     13.57596972      7.18312745    -12.52384342
  O     19.82513967      8.37104113    -11.15410744
  H     16.33754378      5.04385160    -10.74730562
  H     16.80437364     10.11248641    -12.35909418
  O     18.65561399     10.66147406     -8.38275484
  H     22.64119424      6.67132285    -11.14204229
  H     16.34688371      9.46045282    -11.00744358
  O     18.24788963     10.89374348    -13.02466932
  H     21.52703338      6.24806239    -12.13018466
  H     16.40266097      7.98593310    -12.71887426
  O     22.66158703     10.81394289    -10.53568855
  H     19.82836224      7.99576416     -6.41676124
  H     17.44226782      7.19400344    -13.54599430
  O     19.24200893      7.44552580    -13.73300422
  H     19.44306254      7.74913530     -7.89097336
  H     22.55224605     10.02194654    -12.27460688
  O     20.72138123      4.95300566     -9.57681509
  H     14.26591151      6.71880111     -9.61273713
  H     22.46005306      8.58021953    -12.81136723
  O     13.92906127      6.31213752    -12.74515343
  H     13.77973565      8.08660226    -10.12856776
  H     17.23781274      8.23011495     -9.20998711
  O     16.10685639      9.59060000    -11.93503296
  H     23.84852111      5.52548671     -9.15309244
  H     15.72390698      8.53902069     -9.16029191
  O     16.58522951      7.11839852    -13.10830202
  H     22.31963450      5.63293357     -9.38134272
  H     14.34055901      9.29161309    -11.92419854
  O     22.39354327      9.50773572    -13.07515032
  H     19.83798298      9.33308179    -11.07274437
  H     12.85386398      9.70306530    -12.00329544
  O     16.59749876      8.94926515     -9.25109685
  H     20.72782686      8.06432231    -11.30649530
  H     20.59808486     10.18555770    -15.61091821
  O     13.43021224      8.96694959    -11.81519228
  H     17.81867214     10.23335421     -8.61124570
  H     21.07118886      9.76450183    -14.20074977
  O     20.29509056      9.81349725    -14.78714756
  H     19.15113715     10.00258204     -7.88409764
  H     14.20878816      5.36699819    -11.29453873
  O     14.47332251      4.96701024    -10.44587764
  H     18.86085474     10.58330544    -13.69957607
  H     13.88289679      4.23440710    -10.29170887
          69
 Energy    -247.97712807273615     
  O     -3.70613335     -2.94236948      0.00204776
  H     -3.38987312     -3.51950969      0.70732884
  H     -3.13399520    -10.01627810     -4.38807663
  O      3.25297877     -6.55409453     -2.44362479
  H     -4.52259601     -3.34869845     -0.32481976
  H      3.46436125     -4.31243309      2.56000731
  O      0.13398434     -7.47368484      2.05911863
  H      3.20027811     -5.73055300     -1.92550340
  H      3.01332111     -5.70520682      2.06160492
  O     -5.28603476     -7.51937220     -3.15391870
  H      3.91691132     -6.41891157     -3.11404302
  H     -3.81981209     -8.70960334      1.61347709
  O      2.91621898     -8.40275161     -0.30262968
  H      0.04808413     -6.53158762      1.84882148
  H     -4.81444305     -9.89380951      1.60567282
  O     -2.45082682     -9.32904528     -0.98149328
  H      1.05726877     -7.60294699      2.30152272
  H     -3.24869730     -5.64789897     -2.24221435
  O     -2.97197527     -6.53100483     -0.71521227
  H     -4.81847017     -6.70461679     -3.36889577
  H     -3.06936780     -4.30570282     -2.97111007
  O      0.43144079     -6.76302110     -2.48622565
  H     -4.68046046     -8.23373620     -3.38845657
  H     -5.20001449     -4.57609649     -1.99766492
  O      3.01568542     -7.51474809      2.23452563
  H      3.14318238     -7.83739110     -1.05073125
  H     -5.91998295     -5.26818738     -0.83442672
  O     -5.67655562     -7.14227936     -0.45174871
  H      1.99278319     -8.65984449     -0.43369717
  H      0.06068128     -4.56950990      0.50010739
  O     -2.69485949     -7.71642753      2.51194041
  H     -2.78179704     -9.46309142     -1.87913439
  H      1.03904662     -4.60131000      1.70331180
  O     -3.19411896     -9.38313112     -3.67810026
  H     -3.17697572     -9.45127845     -0.35708265
  H     -0.66425586     -3.75433462     -1.62811426
  O      2.92017065     -4.75107340      1.91020170
  H     -3.92394030     -6.64698724     -0.56848056
  H      0.07434370     -5.12858528     -1.73491103
  O     -4.41226332     -9.23550838      1.04524779
  H     -2.61525261     -7.42015413     -0.81797096
  H      1.92396778     -4.14417473     -1.09164732
  O     -3.48486123     -5.17242573     -3.05654146
  H      0.29050001     -7.41577470     -1.78476623
  H      2.96863335     -4.41725349      0.01241820
  O     -5.73319995     -4.40020131     -1.21558878
  H      1.38387426     -6.72283459     -2.63587877
  H     -2.70073802     -5.50779974      0.76802258
  O      0.12217889     -4.75429583      1.44980569
  H      3.53863081     -8.11230091      2.76223622
  H     -1.70838540     -4.79837054      1.71855747
  O      0.05992219     -4.28026560     -1.26952223
  H      3.04622938     -7.84832138      1.31845321
  H     -2.70028618     -2.80172482     -1.38533459
  O      2.86027106     -4.33647433     -0.94208216
  H     -5.43954403     -7.91422645      0.07477180
  H     -2.15463318     -1.92846480     -2.54184688
  O     -2.64155422     -5.02468102      1.60780908
  H     -5.67925084     -7.40613478     -1.38676527
  H     -0.72559248     -9.04270505     -0.65377018
  O     -2.16525945     -2.81881280     -2.20121585
  H     -2.83982073     -6.76929131      2.38574529
  H      0.07216817     -8.24910892      0.41702741
  O      0.13084080     -8.63406703     -0.46849616
  H     -1.73656753     -7.82176542      2.48610073
  H     -0.94121881     -7.02286490     -3.67747268
  O     -1.75983210     -7.15147264     -4.17577001
  H     -2.63300027     -8.62456010     -3.92530231
  H     -2.31614111     -6.38927213     -3.97486685
          69
 Energy    -247.97711534207036     
  O     13.49518562      7.94546519     -9.20100116
  H     12.90978186      7.92262822     -8.44930272
  H     15.17867908     11.89219710    -14.39581122
  O     16.27503660      5.38665045    -13.81093000
  H     13.91654486      8.82494140     -9.20572213
  H     15.69768405      7.01455619    -13.22930118
  O     13.72083666     11.96962407    -11.44703723
  H     15.75453179      4.82934917    -13.21491647
  H     14.51306348      7.89118945    -12.71906037
  O     15.97887248     12.84965154    -13.04458017
  H     15.85765840      5.36313896    -14.68079163
  H     14.72126314      6.56271675     -9.65752944
  O     12.38559337      6.37240373    -15.40243410
  H     13.19139618     11.46927278    -12.07976079
  H     16.20288946      6.17326536     -9.92116581
  O     17.99436776      6.77664915    -10.08153959
  H     14.46440104     12.32819354    -11.94613915
  H     18.81355028      7.32616081    -13.18864104
  O     12.33741903      5.37956512    -12.85815811
  H     16.30769502     13.73971020    -12.95164014
  H     17.91500499      6.05872973    -13.17674680
  O     12.61891631     10.25397419    -13.46447336
  H     16.72300598     12.25350266    -12.84597314
  H     14.70429531      3.20372752    -11.52644340
  O     13.49487988      9.82485588    -17.03893842
  H     12.28825837      5.95654693    -14.53143018
  H     14.90815699      4.69540687    -11.16910315
  O     15.00560454      5.53532013    -16.34816806
  H     13.23686206      6.07736629    -15.73598898
  H     18.47930253     10.49662102    -13.07911058
  O     16.56142270      9.03214259    -15.26167866
  H     18.27554375      6.63638995    -11.00406620
  H     17.58423161     10.47968796    -11.84149794
  O     14.81559716     11.20553360    -14.96931939
  H     18.73984535      6.56020245     -9.52851991
  H     18.21395321      9.01571570    -14.64872264
  O     15.41502761      7.92339007    -13.06284177
  H     13.08168070      4.86158884    -12.53311283
  H     19.74799154      9.06682552    -14.84055934
  O     15.29499897      5.84957092     -9.96217944
  H     12.44028636      6.26220504    -12.47182891
  H     16.28941802      8.74488818    -11.67151880
  O     18.62369164      6.51465070    -12.70323703
  H     12.05227335      9.82937786    -14.12129881
  H     17.26308180      8.43000750    -10.51474135
  O     14.72422046      4.07941466    -11.90265571
  H     13.39985501     10.55567598    -13.94943453
  H     14.63135497      8.61395219    -17.45337004
  O     17.96011851     11.07242089    -12.50919991
  H     13.88458197     10.46786620    -16.43141167
  H     15.70916979      8.17826038    -18.47345788
  O     19.06550734      8.97064857    -14.18055766
  H     12.67861299      9.52281113    -16.62030298
  H     15.50611478      9.98662207     -9.89846608
  O     16.77030218      9.14560091    -10.93283176
  H     14.93313000      4.84064326    -16.99981418
  H     14.31187904     10.95144812    -10.06062205
  O     15.35520021      7.97928371    -17.61059799
  H     15.14525719      6.36206972    -16.83648318
  H     11.68116078      7.93723021    -15.48163853
  O     14.70815767     10.30764783     -9.45632536
  H     16.09477132      8.64295855    -14.50266026
  H     10.38979042      8.75083954    -15.73750143
  O     11.31731843      8.84021049    -15.53680377
  H     16.21839746      8.62851478    -16.06604277
  H     12.71597114      8.81258265    -12.32849572
  O     12.88531617      7.94415362    -11.93920045
  H     15.50840522     10.53731203    -15.06141831
  H     13.00601619      8.03816767    -10.98609680
          69
 Energy    -247.97694900193758     
  O     -7.53096991     -3.04918555      6.15934182
  H     -8.18583398     -2.35887037      5.99599989
  H     -6.60803265     -0.95171191      3.42945792
  O     -7.29280427     -4.42672421      3.80773330
  H     -6.72720618     -2.60706427      6.45761511
  H     -4.46731290     -2.08247929      7.52729679
  O     -5.21177700      0.74465020      0.73277421
  H     -7.40097221     -4.01346868      4.68172947
  H     -4.59887476     -1.66580634      6.04267494
  O     -6.31824359      0.70398642      6.30645058
  H     -7.36426553     -5.36656447      3.94947378
  H     -0.85725841      3.08048008      2.24018275
  O     -5.21313353      5.30965486      1.82895626
  H     -6.02528855      1.16099152      1.06182077
  H     -2.20130297      3.57466117      2.82995379
  O     -9.25432795     -0.94627997      5.27999540
  H     -5.48454618     -0.10670312      0.37572951
  H     -8.66435055      3.35264175      4.15103113
  O     -3.89338802     -1.52014489      4.47410415
  H     -5.86649793     -0.05221614      6.70108296
  H     -9.33784061      2.43680721      5.19402397
  O     -4.00236725      3.29415925      0.44855985
  H     -6.52447593      0.43433802      5.39579491
  H    -10.46545959      0.45160834      2.47368505
  O    -10.72264007     -1.42012962      3.01370507
  H     -4.83337085      4.60484336      1.27421674
  H    -10.03719673      1.86975313      2.92559726
  O     -6.47118909     -1.72661575      0.03730941
  H     -5.31302126      6.07500478      1.26925483
  H     -5.98116843     -2.30320796      1.74387687
  O     -3.59609172      0.89161721      3.03354987
  H     -9.35789897     -0.19904846      5.87997793
  H     -6.33566276     -3.18151133      2.99329102
  O     -7.06766202     -0.19545665      3.81733094
  H     -8.50457283     -0.71803166      4.70493558
  H     -9.30873416     -0.17858104      0.73807555
  O     -5.07401077     -1.71014799      6.89347256
  H     -4.45711549     -1.97272992      3.83101924
  H     -9.52331918     -1.48518212      1.46936498
  O     -1.79530075      2.91267281      2.24159702
  H     -3.65839191     -0.68296100      4.05456683
  H     -7.97548146      1.23559667      6.73390948
  O     -9.47241457      2.85734335      4.33740652
  H     -4.40223164      2.41812591      0.37558611
  H     -9.08641525      1.75553450      7.67597009
  O    -10.12325500      1.29221040      2.14931443
  H     -3.16288175      3.16190690      0.90653808
  H     -3.73594823      4.01827562      4.35772790
  O     -5.82447751     -2.41660252      2.68788655
  H    -10.27925242     -1.33616302      3.87346202
  H     -3.86877815      5.02405632      3.19981373
  O     -9.03848600     -1.10131992      0.72781398
  H    -11.52328037     -1.91505205      3.16755836
  H     -4.43562168      1.96866133      4.24821825
  O     -8.92640459      1.42930124      6.79406743
  H     -7.39809527     -1.51651233      0.24917620
  H     -5.25793505      2.03130235      5.55789500
  O     -3.22737723      4.62259580      3.79931168
  H     -6.48273349     -2.22438377     -0.77597216
  H     -7.26069003      2.56391825      2.39777943
  O     -4.83756258      2.57893559      4.88438098
  H     -4.14371016      0.76168065      2.24677844
  H     -8.40460717      1.65554520      1.86263686
  O     -7.44566039      1.78221749      1.85960533
  H     -2.86376053      1.46319559      2.77082888
  H     -6.44606158      4.50516456      2.97632933
  O     -6.90762222      3.89237767      3.56321257
  H     -7.21238404      0.46031684      3.12559835
  H     -6.22188843      3.46149284      4.09387266
          69
 Energy    -247.97674124069044     
  O     17.71192539      9.77938104    -14.83155291
  H     17.23074960      9.71852262    -13.98979166
  H     17.55574911      2.97717744    -12.50267203
  O     17.16532426      3.86045944    -16.16667285
  H     17.93094764     10.70040513    -14.95063072
  H     14.07608309      5.57729365    -11.23224646
  O     15.09762434      5.63609334     -9.77346618
  H     17.75444025      4.59232972    -16.38878172
  H     12.96125282      6.24926656    -12.11261712
  O     15.49220342      2.80936708     -9.63702173
  H     17.39409251      3.56016995    -15.27830262
  H     14.82697773      6.50147312    -13.05704356
  O     14.49795074      4.08201334    -16.34166382
  H     16.03301472      5.65481315    -10.02416403
  H     15.05907495      6.98901937    -14.51408960
  O     14.23599853      6.87736669    -16.14709923
  H     14.92621619      6.46151368     -9.30337078
  H     19.04133824      8.37925273    -14.76010548
  O     18.75507631      6.08975172    -16.92961073
  H     14.86224985      2.35576923    -10.21536247
  H     19.08812862      6.97424135    -14.12831693
  O     14.79948496      8.22913976     -8.74761894
  H     15.19427478      3.72286778     -9.55156025
  H     12.85458857      7.77340813    -15.49218122
  O     17.97815247      2.80846728    -10.66613939
  H     14.17109698      3.52477135    -17.04311254
  H     11.96474231      9.01980643    -15.61410709
  O     16.60861747      7.98949740    -16.82316729
  H     15.46980165      3.99560194    -16.34305678
  H     11.98502443      7.95643648    -13.34031025
  O     13.85883121      1.59868707    -11.53501507
  H     14.28090663      5.92411314    -16.28983002
  H     11.00224760      7.83959844    -12.15225677
  O     17.27055525      3.23905840    -13.38697828
  H     15.03839953      7.28351479    -16.51351373
  H     14.09767791      4.13940202    -13.07751213
  O     13.63758150      5.56113464    -12.09628983
  H     19.44080519      6.04639177    -17.59101668
  H     14.35182239      3.59482073    -14.51617304
  O     15.42777538      7.00266432    -13.62314325
  H     19.12274240      6.58758441    -16.17774605
  H     13.19672595      8.89698552    -11.52076321
  O     19.52403116      7.54443624    -14.77986119
  H     14.51640532      8.70324462     -7.97080184
  H     14.61185555      9.53083202    -11.58755008
  O     12.15101031      8.27460339    -15.04836765
  H     14.40437061      8.68098216     -9.51506630
  H     17.07110586      6.34166170    -13.42340151
  O     11.92362275      7.76458040    -12.38825396
  H     18.53380281      2.16203292    -10.23971642
  H     17.79101694      4.97659330    -13.33094198
  O     14.44648266      3.38709953    -13.57966148
  H     17.09531701      2.73468995    -10.25849218
  H     16.75880697      9.10026029    -11.69804569
  O     13.85265140      9.38424289    -11.00893250
  H     16.95226551      8.63675963    -16.19533182
  H     15.94602107      8.52892528    -12.89869090
  O     17.92116795      5.92741526    -13.21561475
  H     17.31423443      7.34494216    -16.95731438
  H     17.66930956      7.53429615    -10.12609649
  O     16.29335620      9.34792848    -12.51171070
  H     13.13853538      1.01076432    -11.74720518
  H     16.57367924      8.42881641     -9.52670860
  O     17.33801753      8.44091806    -10.11535670
  H     14.01676373      2.12867179    -12.33140203
  H     18.01825799      4.71598821    -10.39113170
  O     17.81266984      5.65357788    -10.48122885
  H     16.30280946      3.23773502    -13.38463501
  H     17.91578491      5.84729562    -11.42533206
          69
 Energy    -247.97671239767666     
  O     16.93903878     10.54402192    -11.98090499
  H     17.46612323      9.75383871    -11.81562277
  H     13.56947003     12.05705245    -10.67127637
  O     15.00379898      5.23984502    -11.00039756
  H     16.77852042     10.93811989    -11.11404069
  H     14.70325609      9.30569310    -14.75342996
  O     11.48586839      5.69236119    -10.06211277
  H     14.27853960      4.89961110    -11.53789045
  H     15.03927136      7.93868639    -14.16174787
  O     17.55330081      5.99640918     -9.95258787
  H     14.60654942      5.55002663    -10.17346699
  H     19.15621333      7.85274853    -11.92154440
  O     16.46227696      6.61202483     -7.42131392
  H     11.81693249      5.26070350    -10.85875131
  H     18.09689976      7.35898928    -10.91460800
  O     16.43531150     11.61356197     -9.41810835
  H     12.22911031      5.72802109     -9.44828213
  H     13.58976517      7.03412654     -8.54829256
  O     10.11365293     10.34375158    -10.21706573
  H     16.79919531      5.55052267    -10.35814534
  H     14.71578890      6.10155325     -8.07064034
  O     15.93507441      9.18490953     -8.00508265
  H     17.28688255      6.17452549     -9.04141447
  H     13.77252614     11.34928595    -13.03580743
  O     13.59089978      8.78470910    -11.37617079
  H     16.80117976      6.53586440     -6.53382244
  H     12.23879428     11.29759803    -12.67381704
  O      9.56213911      7.57124906    -10.47799884
  H     16.34668375      7.56460635     -7.59809701
  H     10.72221958      7.91951701    -13.43288035
  O     12.43787610      7.28864295    -13.43164812
  H     16.89643806     12.36433041     -9.05339728
  H      9.66704396      8.02998715    -12.31906913
  O     13.84571943     12.26661531     -9.76827476
  H     15.50203505     11.87871104     -9.51194756
  H      9.82056541     11.50971402    -13.51890945
  O     14.51451488      8.36639491    -14.85627706
  H     10.19235690     10.65299659    -11.12590474
  H     10.22595124     10.05938798    -13.16659026
  O     18.29957170      8.06175582    -11.55745254
  H      9.94100913      9.39435736    -10.26439107
  H     11.11157766     10.87827111     -8.93480584
  O     13.89252927      6.11245605     -8.57297957
  H     16.22927647      9.98134201     -8.45912822
  H     11.24081593     11.45582724     -7.50335672
  O     13.13179946     11.36604881    -12.31251589
  H     14.98897566      9.11187869     -8.19362652
  H     12.56384622      5.60054424    -12.91367042
  O      9.89071440      8.35601615    -13.19983724
  H     13.46210571      9.69205954    -11.68386235
  H     12.36381868      4.08114290    -13.12611742
  O     10.44670866     10.99600781    -13.01575813
  H     14.43115922      8.46333855    -11.73037301
  H     15.72129577     11.66463842    -14.65508521
  O     11.74688881     11.10570288     -8.23089639
  H      8.76755947      7.20455255    -10.09759821
  H     15.89451987     10.86306649    -13.34574094
  O     12.65760963      4.72910004    -12.49132476
  H     10.27001817      6.92832522    -10.30068829
  H     13.32436528      8.78690592     -9.63995152
  O     15.27370890     11.05719420    -14.07186059
  H     12.68377883      7.75743647    -12.62045454
  H     12.70579353      9.52427187     -8.41444321
  O     13.24647108      8.77018327     -8.67228748
  H     13.04641754      7.61882359    -14.10855624
  H     15.51465110      6.61940857    -12.06055248
  O     15.75165890      7.41268621    -12.56009338
  H     13.14077709     11.95264508     -9.19018385
  H     16.65185260      7.64723205    -12.30850469
          69
 Ord_Energy   -247.976669    
 O   -1.56278777       5.73973846       6.22408581    
 H   -1.36520755       5.60030985       7.15938377    
 H   -2.22844195       6.44184828       6.17602921    
 O   -4.04675293       1.67097950       9.22703838    
 H   -4.54154634       1.40029252       9.99687099    
 H   -4.43408203       2.51129150       8.92559910    
 O    2.16553521       1.79860747       7.26138735    
 H    1.29723227       1.62131810       6.87060881    
 H    2.00374413       1.88390207       8.20865059    
 O   -5.03584671      0.434508175       6.75307608    
 H   -4.74072790      0.732778013       7.61873341    
 H   -4.24125862      0.442013800       6.20016336    
 O   -1.36014307       2.42281103       8.84065723    
 H   -1.09450305       2.21341324       7.93270350    
 H   -2.24353957       2.06416368       8.98796749    
 O   -6.48468781       2.01717019       4.94684362    
 H   -6.07971954       1.42756963       5.59650564    
 H   -6.77191448       2.80886316       5.42091465    
 O   -5.76447153       6.49075413       4.75432539    
 H   -5.25968266       5.90403891       4.16669464    
 H   -6.28666067       7.05778027       4.19116020    
 O   -1.62821925       4.06196499       2.56453371    
 H   -1.16664553       4.38510847       1.79354429    
 H  -0.983683944       4.07246733       3.29024100    
 O    9.53441933E-02   4.21058559       4.73480368    
 H   0.989720285       4.28464174       5.09001541    
 H  -0.449434936       4.84882927       5.22409964    
 O   -4.89066792       4.04419279       8.18111420    
 H   -4.43541527       3.91852903       7.33264971    
 H   -4.57621622       4.87559795       8.55617142    
 O   -2.80362105       1.07862711       5.21782923    
 H   -2.82405257       1.04898620       4.25104523    
 H   -3.08117151       1.97245395       5.47117376    
 O    1.46714902       5.06668186       8.77678013    
 H    1.83791041       4.93120861       7.89725494    
 H    1.53339815       4.21333027       9.22507858    
 O   -1.25129187       5.20968676       8.94120216    
 H  -0.291127741       5.33809328       8.95886517    
 H   -1.39208400       4.25252867       8.94859791    
 O   -3.46913528       3.73891878       5.83286476    
 H   -2.77252436       4.39352989       5.97426701    
 H   -3.90671468       3.98112655       5.00739670    
 O  -0.441855371       1.87830162       6.27333879    
 H   -1.19199419       1.40744901       5.88313055    
 H  -0.283821732       2.65126872       5.71672821    
 O   -5.62757587       2.37106276       2.45852876    
 H   -6.31068802       2.11263466       1.84705460    
 H   -5.96560240       2.18176985       3.35556960    
 O    1.20896029       2.42242694       9.88474846    
 H    1.27756345       2.03750467       10.7546968    
 H   0.275450885       2.35829568       9.62275124    
 O   -4.31389380       4.65815067       3.30153751    
 H   -3.39904189       4.56205559       3.00847673    
 H   -4.81593943       3.91714096       2.93192053    
 O   -3.70976806       6.41698027       9.14092350    
 H   -3.81102252       6.94061136       9.93190765    
 H   -2.80505681       6.06008434       9.15507030    
 O   -3.66970634       7.44164658       6.43304348    
 H   -3.84259868       7.20913601       7.35332108    
 H   -4.44334030       7.17082548       5.92282915    
 O    2.52193284       4.26380539       6.17309284    
 H    3.42800665       4.43855524       5.93176889    
 H    2.49694467       3.35850739       6.53212357    
 O   -7.01568890       4.39732218       6.31587124    
 H   -6.67454863       5.15901136       5.83286333    
 H   -6.44396925       4.29934978       7.08756638    
 O   -2.92656517       1.45679796       2.49734068    
 H   -3.85905528       1.68509722       2.38576627    
 H   -2.43729639       2.28509378       2.42915869    
          69
 Ord_Energy   -247.976639    
 O   -10.2606621      -1.90619981       3.50430965    
 H   -10.8905067      -2.41957831       4.00409365    
 H   -10.7617512      -1.47798002       2.78679729    
 O   -4.33219814      0.617967427       1.45072508    
 H   -4.49885273       1.01498818      0.587587059    
 H   -4.72247410       1.21677494       2.10938001    
 O   -5.26566792       1.90560472     -0.917599499    
 H   -6.02611542       2.39355206     -0.557549238    
 H   -4.77681541       2.52340221      -1.45701396    
 O   -7.56696463       4.30645847       2.67966652    
 H   -7.53382254       5.18628788       3.04521394    
 H   -8.45059776       3.95194888       2.88530016    
 O   -6.16880846      -4.56101322     -0.785477996    
 H   -6.09095049      -5.49509859     -0.958608210    
 H   -5.81923342      -4.42661810      0.111371338    
 O   -11.7502356       2.29606152       1.13130736    
 H   -12.5971193       2.70859528      0.978370428    
 H   -11.1901665       2.53047109      0.370535523    
 O   -5.63812780       2.22491717       3.22956824    
 H   -6.25294733       2.94729924       3.05994105    
 H   -5.98833513       1.74554932       3.99062419    
 O   -5.55200768      -1.65726948       4.68707037    
 H   -6.26815796      -2.15470457       4.26678562    
 H   -4.80307007      -1.71403825       4.08271313    
 O   -9.98666859       3.18519592       3.21367002    
 H   -10.6249952       2.97152519       2.52252531    
 H   -9.78250599       2.34192824       3.64217877    
 O   -9.93422699     -0.877236903     -0.694812655    
 H   -9.96848679     -0.294903487      -1.46357465    
 H   -9.17259598      -1.45929360     -0.827182949    
 O   -11.5412912     -0.569971681       1.51577473    
 H   -11.6801367      0.383280486       1.46537733    
 H   -11.1365423     -0.823517084      0.673144102    
 O   -7.53671265      -2.79308391       3.08749938    
 H   -7.22559547      -2.14652753       2.43214965    
 H   -8.47382641      -2.61656809       3.21727991    
 O   -9.15810299      0.640052795       3.93908358    
 H   -9.53739834     -0.247143030       3.94661140    
 H   -8.33604908      0.615728557       4.44589376    
 O   -6.73009205      0.666245162       5.33737898    
 H   -6.27182770     -0.171381235       5.14258289    
 H   -6.60596561      0.838286936       6.26690245    
 O   -7.50128651       3.09728718      0.157125264    
 H   -7.90474081       2.27598786      0.486615628    
 H   -7.44790077       3.67920470      0.925041795    
 O   -9.59935093      0.925366879      -2.85212803    
 H   -9.82906437      0.822096467      -3.77154469    
 H   -8.64830875      0.724722385      -2.77615619    
 O   -6.62934780     -0.946341395       1.26584888    
 H   -5.78586340     -0.488735616       1.34148002    
 H   -7.31185341     -0.259518206       1.25762773    
 O   -7.47211885      -2.15273690      -1.04871464    
 H   -7.09140253      -3.03877091      -1.10747659    
 H   -7.10983992      -1.76666212     -0.236998796    
 O   -7.02178001      0.209889263      -2.48395133    
 H   -6.36595154      0.704044759      -1.98148954    
 H   -7.07931089     -0.668628156      -2.08152127    
 O   -3.57361889      -1.78982925       2.60366440    
 H   -2.62877011      -1.90699387       2.67238474    
 H   -3.71263385     -0.930110693       2.17455363    
 O   -10.1273384       2.96324587     -0.968195260    
 H   -9.23677540       3.19609499     -0.678425312    
 H   -10.0081587       2.32818937      -1.68613625    
 O   -8.62916851      0.843906701       1.17586005    
 H   -9.22662544      0.312494755      0.634971261    
 H   -8.92117119      0.818679988       2.09620452    
 O   -5.31987715      -4.04523468       1.79514015    
 H   -6.12014580      -3.83778238       2.29509783    
 H   -4.69878531      -3.33591223       1.99424851    
          69
 Energy    -247.97646327214841     
  O     12.01849297      9.86242923    -11.29495871
  H     11.96798194      9.63655233    -12.23250035
  H     14.14857747     14.00236836     -6.36887835
  O      8.76866891     10.59242409    -13.10808333
  H     11.43917139     10.62577814    -11.17945657
  H     10.17539700     11.96914500     -9.56680595
  O     14.16379632     10.10119469     -9.64128437
  H      8.49938176      9.96168127    -12.41733241
  H     11.02145580     11.56785222     -8.31083297
  O     15.15640715      7.49409845     -9.60625199
  H      7.99586618     10.76871109    -13.63847887
  H     11.93813382      9.54707285     -6.85505871
  O     12.40661863     15.53251370    -10.57946406
  H     13.44257149      9.96023167    -10.27717775
  H     11.51822259      8.68581714     -5.64203840
  O      8.26612171      8.79322282    -11.11743571
  H     14.63843926      9.26501968     -9.56791421
  H     12.08193709      6.96104849     -9.16745345
  O     12.61225844     13.33015166    -12.30174078
  H     14.32670823      7.21012532     -9.18220511
  H     12.40712651      7.44506928     -7.74920431
  O     14.73338291     14.26861129     -9.46722738
  H     15.85017018      6.94800818     -9.24712280
  H     14.75981617     11.47111687    -10.63909263
  O     10.75502830      7.60044992    -10.35795964
  H     11.91198390     15.18854410     -9.81437356
  H     15.25529235     11.65461862    -12.08309448
  O     11.24552059     14.47273906     -8.35144093
  H     12.17036767     16.45176429    -10.66950356
  H     11.80847992     10.10070390    -14.27863823
  O     14.72444042      8.02422574    -12.41220782
  H      8.99002964      8.16006862    -11.19334632
  H     10.36616962      9.76669055    -13.79999520
  O     13.66111770     13.58662552     -7.07482650
  H      8.26516776      9.02305339    -10.18114308
  H     11.07842863     12.56756593    -11.74838734
  O     10.13884132     11.83345411     -8.60686446
  H     12.52621309     14.17469629    -11.84120068
  H      9.77825628     11.72088222    -12.00983003
  O     11.52088008      8.70803123     -6.59596162
  H     13.40707610     12.90687685    -11.94574178
  H      9.47740784     10.09860195     -8.49358515
  O     12.75821703      6.92145015     -8.47907189
  H     14.97478334     13.59190002    -10.11323204
  H      9.92031120      8.86935662     -7.69773528
  O     14.96293197     12.14485941    -11.30457320
  H     14.05853362     14.81303610     -9.89125172
  H     12.78180387     12.20301633    -13.85939847
  O     11.23790327      9.38572766    -13.95442713
  H     11.26538808      8.34767686    -10.70927229
  H     13.82241667     11.11895076    -14.20638186
  O     10.35539901     12.08185718    -11.32546749
  H     10.21597720      7.99295205     -9.65591259
  H     15.18099234      9.54978769    -13.10353298
  O      9.35169379      9.14085186     -8.42835811
  H     10.69015997     13.68459515     -8.37612904
  H     16.17284602     10.26077931    -14.05135561
  O     12.94717948     11.45255727    -14.44296736
  H     11.99763652     14.24600202     -7.79032386
  H     11.61971352      6.87172687    -12.12176313
  O     15.42768755     10.41545061    -13.47664218
  H     14.93434009      7.77029783    -11.50727439
  H     11.78109960      7.68669899    -13.42171504
  O     12.17702748      6.97349150    -12.89878618
  H     13.89126253      7.58303930    -12.62998183
  H     13.01362087     11.87533853     -7.28090197
  O     12.64798327     11.02843854     -7.56483577
  H     14.12105088     13.81133427     -7.90419278
  H     13.22455681     10.69486493     -8.26885124
          69
 Energy    -247.97645142991951     
  O     17.46357735      9.57781432    -14.87860265
  H     17.49813582     10.53787449    -15.00598553
  H     14.45014730     12.04289662    -13.08538374
  O     14.47430811      7.64907649     -8.93335424
  H     16.80391027      9.19955543    -15.47285520
  H     13.58431353     11.06839963     -9.80178984
  O     17.59830137     12.29586102    -14.89633662
  H     14.49082594      6.90871877     -8.33284497
  H     12.29553157     11.91921954     -9.90975489
  O     12.35028505      8.48110803    -10.65146206
  H     15.08702376      7.43797198     -9.65930562
  H     17.01599558      6.97134439    -11.16441927
  O     15.45767275      8.30304464    -16.31499552
  H     16.85618890     12.72186979    -14.45211367
  H     16.00663710      8.05506783    -11.58202974
  O     19.58776344      8.20291594    -13.88376010
  H     18.37420177     12.48500264    -14.35204379
  H     19.26633142      4.65300812    -14.52861811
  O     20.51668070     10.26581777    -12.26481756
  H     12.99302829      8.14021146    -10.01773945
  H     18.05355816      5.59993846    -14.39448851
  O     18.82719554      6.84246884    -11.59984843
  H     12.38988759      9.44179616    -10.57759528
  H     18.33627022     13.11916236    -11.90162374
  O     12.17818145      7.25945672    -13.06170527
  H     15.17757846      8.33531887    -17.22545652
  H     17.48307043     12.38812492    -10.84807394
  O     15.56069574     13.48889065    -13.22609559
  H     14.69985585      8.59855364    -15.77794165
  H     16.15011212      6.72252817    -15.45514802
  O     13.41757241      9.14708801    -14.76985940
  H     19.51932154      7.27234405    -14.12977918
  H     15.77535272      5.81095199    -14.26855731
  O     13.96483273     11.21981499    -12.93732548
  H     18.85702717      8.67185850    -14.31685306
  H     16.64476465      9.56127807    -13.26225268
  O     12.83062870     11.28632641    -10.38052462
  H     20.30840501      9.89892667    -11.39967379
  H     15.36013211     10.11336885    -12.58459872
  O     16.09185540      7.23060428    -11.07778286
  H     20.33359606      9.56209128    -12.90356779
  H     20.04715225     11.85670910    -12.78343843
  O     18.95569158      5.42551365    -14.06596830
  H     18.87531764      6.03206885    -12.11866683
  H     20.54493764     13.24801229    -13.23243675
  O     17.52004005     13.18758653    -11.38936388
  H     19.01963158      7.52062493    -12.26693276
  H     16.98795476     10.30450195    -10.99415807
  O     16.46968011      5.98876338    -14.92054616
  H     11.30385435      6.89001390    -13.15448510
  H     18.12647007     10.10394140     -9.96259687
  O     16.16362608      9.60165920    -12.42581685
  H     12.20611783      7.69385996    -12.19095087
  H     13.73360772      6.16914530    -13.01410321
  O     19.75466633     12.73792737    -13.07597263
  H     15.34371484     14.41375033    -13.30834147
  H     15.06082036      6.16234570    -12.23403467
  O     17.36762792     10.65784163    -10.17419810
  H     16.22160954     13.41739061    -12.51315126
  H     20.13136900      8.62462786     -9.13596643
  O     14.57618009      5.70650428    -12.93402681
  H     13.52557165      9.92748989    -14.21145739
  H     19.35138678      8.07138198    -10.34722266
  O     19.58800161      8.88584553     -9.87592458
  H     12.96078683      8.48986717    -14.23006884
  H     15.79264308     10.59299680     -9.20827829
  O     14.90024326     10.46534162     -8.85955864
  H     13.50923423     11.30038330    -12.08915303
  H     14.79017092      9.51358569     -8.74180986
          69
 Energy    -247.97617544559449     
  O      3.59548756      1.30710322     -0.35991644
  H      3.15229113      0.44887184     -0.45500938
  H     -1.07259026      5.58712518     -1.33249121
  O     -0.31956437      2.16760121     -2.05361431
  H      3.33795794      1.81672193     -1.13655893
  H      1.10381122     -3.51588368     -2.75413983
  O      0.01342915      0.45681977      0.17482450
  H     -0.61253865      3.03429576     -1.73979661
  H      0.09273136     -2.53517200     -2.13309160
  O     -1.57843948     -1.99394509     -1.91253715
  H     -1.09965347      1.67443031     -2.34177283
  H      1.85880653     -2.38857260      2.29056704
  O     -3.49581236      1.27266662     -0.03873029
  H     -0.15574206      1.05527418     -0.56204509
  H      2.37584423     -1.03023293      2.79463477
  O     -2.60559579      0.64997465     -2.48481705
  H      0.79475144     -0.06503116     -0.05674325
  H     -4.53744785     -0.75068126      2.65583734
  O      0.20600167      2.01981829      2.39594081
  H     -1.69434530     -2.03244735     -0.95368501
  H     -3.14792088     -0.08125826      2.78906319
  O      4.86613719      0.03062068      1.85014643
  H     -1.91367573     -1.13096251     -2.18059507
  H     -1.65734355      3.90858782      0.44701802
  O      4.27660530      1.88234829      3.74803340
  H     -3.70467769      0.66156711      0.67600323
  H     -1.29994727      3.02855993      1.65782334
  O      1.91175678      0.33476890      3.93166414
  H     -3.05071837      2.02649953      0.37567550
  H      3.26784594      2.84610586      2.43422922
  O      2.35785005      2.74007389     -2.45526676
  H     -3.32975107      0.71003774     -3.10204552
  H      2.98566759      2.40410992      0.98230062
  O     -0.79565696      4.73764099     -1.00004104
  H     -2.97046248      0.85746534     -1.60313946
  H     -0.45997559     -2.71160857      1.86741344
  O      1.03058254     -2.79136364     -2.13945355
  H      0.08267364      1.42018793      1.64128250
  H     -0.05189525     -4.11316877      2.37254149
  O      2.58587602     -1.76002596      2.19373581
  H      1.01162238      2.51929695      2.20394766
  H     -1.38335092     -0.14635111      4.19739510
  O     -3.75783519     -0.51344332      2.16214913
  H      4.28804226     -0.73696874      1.93440008
  H     -1.27749937      1.19943595      3.44871470
  O     -2.03823925      3.32469237      1.11456988
  H      4.62413559      0.45906663      1.01808357
  H     -0.08859100     -2.10019981      4.03464979
  O      2.70337056      3.02321343      1.67287433
  H      4.60195939      1.21863667      3.11258746
  H      0.62035649     -0.87954549      4.64625050
  O      0.16940748     -3.18737106      2.43516225
  H      5.00798923      2.10495287      4.31708329
  H      2.37779784     -1.42680797      0.43350894
  O     -1.90862162      0.55896764      3.78983659
  H      1.27995482      0.90121572      3.46952476
  H      1.89340464     -1.71437991     -1.04464593
  O     -0.18342193     -1.41301636      4.70438680
  H      2.70919458      0.86293299      4.05568388
  H      2.17074010      4.28713078      0.38107549
  O      2.23193372     -1.03846342     -0.44044057
  H      1.43046072      2.45691666     -2.38814033
  H      2.16422047      4.15872975     -1.15583115
  O      1.84464754      4.70489492     -0.42662412
  H      2.56138777      2.79441639     -3.38572540
  H     -2.38124406     -1.41026711      1.32902184
  O     -1.56933819     -1.70729789      0.89895115
  H      0.14002708      4.82456131     -0.74356606
  H     -1.07627169     -0.90933195      0.65424359
          69
 Energy    -247.97616912982124     
  O     14.56258661     11.48685858    -15.08676795
  H     15.31855235     11.76260529    -14.55544332
  H     17.39960921      9.61946037    -16.58778714
  O     18.33073565      7.77346173    -11.65616985
  H     14.85425874     11.49520354    -16.00710406
  H     16.51246107      8.94156926    -14.48824132
  O     19.04234062      7.77753738    -18.39179900
  H     18.14408965      7.04936841    -12.27303721
  H     15.66867366      8.33956334    -15.65784115
  O     16.56840697      6.87369781    -18.83509304
  H     18.02892805      7.45445712    -10.79701402
  H     13.33415542     10.38722479    -14.57642163
  O     14.51643865      6.35341509    -10.38296299
  H     18.15723133      7.44146608    -18.63365783
  H     11.81991040     10.11984278    -14.38545016
  O     14.87496768      5.82347820    -14.00585381
  H     19.62552906      7.57206257    -19.11647334
  H     17.27562471      4.81809886    -10.48747556
  O     16.42566236      9.46170401    -12.72612615
  H     15.85751069      7.52995629    -18.84761606
  H     17.55538020      4.54191195    -11.97257745
  O     18.64061094      6.85774564    -15.76044906
  H     16.32752031      6.22069668    -18.16563838
  H     13.37769109      8.39019977    -15.42818186
  O     14.60309916      3.92619190    -11.95941315
  H     14.25796979      7.02115772    -11.03249292
  H     14.00547993      6.96640846    -15.45424987
  O     18.98588584     11.22052034    -14.89671226
  H     14.39053673      5.50272264    -10.81940075
  H     19.53369324      8.48282645    -13.01686664
  O     16.29472266      5.22040437    -16.55359124
  H     14.68181848      5.07520133    -13.42482001
  H     19.65560828      8.09200229    -14.50268116
  O     17.89669137     10.11041650    -17.26279874
  H     14.62496024      6.61846248    -13.51033146
  H     18.18353329      5.95932677    -14.22470229
  O     16.55841352      8.59539248    -15.38828120
  H     16.62987140     10.39935097    -12.82543623
  H     16.75283997      5.80896202    -13.64419805
  O     12.67767644      9.70737394    -14.33586990
  H     17.16163265      9.01101665    -12.29012838
  H     17.10022603      6.53397777     -8.52231343
  O     17.19867963      4.13903217    -11.16875889
  H     18.96570769      7.06962348    -16.64389034
  H     16.14616713      6.49113797     -9.73888632
  O     13.90285034      7.77753792    -15.96157310
  H     17.88418004      7.45017574    -15.60652993
  H     15.57444124     12.08502009    -18.41212431
  O     19.86885127      8.78553662    -13.86951930
  H     14.23370594      3.05603260    -11.83619127
  H     16.42082911     11.01453673    -17.68669323
  O     17.69078586      5.73151495    -13.42599373
  H     15.52736325      3.88674098    -11.65413254
  H     13.46512940      8.61752501    -13.02582474
  O     17.08349255      6.48138948     -9.47426765
  H     19.38456917     10.43126544    -14.50139415
  H     14.92248857      8.60351591    -12.51966411
  O     15.52527451     11.38409102    -17.76635792
  H     18.75734072     10.97703200    -15.80162352
  H     17.07905654     12.91850943    -13.05485816
  O     14.10570795      8.08017236    -12.54629651
  H     15.76082611      5.29252314    -15.75621736
  H     17.66921781     11.84922728    -14.00777845
  O     16.87791082     12.09701096    -13.49401332
  H     17.16234213      5.56405650    -16.31165451
  H     14.77502798      9.66416448    -18.32843097
  O     14.54256173      8.75113751    -18.52860754
  H     18.38320049      9.44492147    -17.76280766
  H     14.18932926      8.38098903    -17.70828758
          69
 Energy    -247.97597554890734     
  O     11.75863365     11.34688102    -13.76730657
  H     12.08403376     10.85402469    -14.53508230
  H     15.66707945     12.31128323    -15.86148174
  O     16.08886070      6.91858515    -14.18500600
  H     12.40297335     12.03971153    -13.58754413
  H     15.46727150      8.63462269    -14.17184387
  O     17.66599635     10.24095450    -11.50472638
  H     15.42367551      6.69725042    -13.51788360
  H     14.32444807      9.59073501    -14.64086464
  O     16.90494400     10.93649267    -15.78172456
  H     16.90439112      7.15408041    -13.71807598
  H     10.16339723      9.43427235    -11.80784753
  O     15.06177146      7.84446162     -8.82691016
  H     16.78151539     10.62422826    -11.58684282
  H     11.26172057     10.11487951    -12.66105543
  O     14.20851825      6.63336515    -12.21661294
  H     17.73956376      9.90525516    -10.60243199
  H     18.22225946      6.83270630    -11.22154197
  O     15.07335384     11.10197016    -11.96665458
  H     17.64608325     11.16844674    -15.20039750
  H     17.26806897      6.04120868    -10.28901855
  O     15.45506971      5.43333367    -10.00035275
  H     16.29317672     10.42603363    -15.22726208
  H     12.80370572      7.01872257    -13.51326783
  O     18.46545057      8.70868597    -16.67789985
  H     14.47638220      8.32305533     -9.43073645
  H     11.66060755      8.03076693    -13.39520413
  O     16.23494167      6.94826538    -16.90827484
  H     15.89631179      8.32764170     -8.81081704
  H     19.50339078     10.41633132    -14.10980054
  O     20.22230719      8.66705338    -14.61925122
  H     14.01936325      7.48442583    -11.79536827
  H     18.55944997     10.97972397    -13.03361325
  O     14.87218212     12.86232534    -15.81826232
  H     14.57762380      6.07158922    -11.52396220
  H     19.02389596      8.01826456    -13.37648798
  O     15.16992329      9.55193198    -14.17373059
  H     14.68958743     11.93441351    -12.26375112
  H     18.01938730      8.66793499    -12.38797248
  O     11.06719965      9.34410132    -12.09696713
  H     15.11344354     10.53358145    -12.75496288
  H     18.31800602      9.00513344     -8.26984738
  O     18.09513105      6.53752531    -10.30943494
  H     15.23188424      4.70405841     -9.42815880
  H     17.93877839      8.03470020     -9.41494984
  O     12.15327265      7.50177641    -14.03618004
  H     15.28308552      6.25056478     -9.49627857
  H     15.61250320     10.01821626    -17.20154801
  O     18.90615213     11.14964443    -13.91919310
  H     17.79954126      8.03504270    -16.85932460
  H     15.31328525      8.53032788    -17.40087201
  O     18.27394117      7.82882284    -12.79876768
  H     17.97548506      9.52015958    -16.49356837
  H     12.66061530      9.14209746    -11.17960899
  O     17.74016639      8.90421889     -9.02184366
  H     16.15160731      6.85297576    -15.94374275
  H     14.06360067      9.80884935    -11.16660088
  O     14.92396203      9.41121708    -17.48856020
  H     16.10767399      6.08066911    -17.28338537
  H     13.76351939     14.19613333    -13.14152072
  O     13.57025815      9.02990326    -10.87555675
  H     19.66135131      8.62507123    -15.41486535
  H     14.24227745     13.17517507    -14.19790929
  O     13.85862357     13.26183039    -13.30822419
  H     21.11464160      8.48263234    -14.89849537
  H     12.56270437      8.76827639    -15.28457962
  O     12.82898068      9.61906214    -15.66833790
  H     14.33616855     12.61005731    -16.56856891
  H     13.41438249      9.46849320    -16.42285825
          69
 Energy    -247.97577662345063     
  O      1.27593866      1.03149537      4.25844796
  H      1.95993606      1.32766248      4.85289552
  H     -3.39263497     -0.16672747      5.79122035
  O     -0.31367234     -0.68161151      5.58741173
  H      0.74026944      0.38078113      4.75113581
  H     -2.08533790      3.43453102      0.81874785
  O     -1.77774083     -0.23757982     -1.21668947
  H     -1.14312683     -0.30538593      5.91846558
  H     -0.69597776      2.79442315      0.51055621
  O      1.32900741     -2.15920490     -0.52566520
  H     -0.49804623     -1.60200306      5.37597884
  H     -3.39972875      0.49611201      1.07044828
  O     -5.06830033      2.66579796      3.00592783
  H     -1.12951873      0.32209399     -0.76292630
  H     -4.01499501      1.63211939      0.21980635
  O     -3.49915870     -3.47377157      3.79290503
  H     -2.63558947      0.05336806     -0.87990193
  H     -2.02026951      0.95012774      2.94062938
  O     -1.09467817      2.41671927      3.60009333
  H      1.26155702     -1.59015643     -1.30283191
  H     -1.82819215     -0.53659332      2.52307725
  O      0.62294652     -0.29579485     -2.61702735
  H      1.59558645     -1.57941167      0.19688528
  H     -0.40232594     -2.82897878     -0.32941330
  O     -6.56728288      0.19491430      3.05759158
  H     -4.53711017      2.72177824      3.80963443
  H     -1.62573074     -1.94057211     -0.57057296
  O     -4.32797978     -0.88141974      4.34636134
  H     -5.59089287      1.85731401      3.06203893
  H      0.69731127     -0.83300550      1.93525385
  O     -4.01166232      3.42826336      0.63827371
  H     -3.62738977     -3.55019782      2.84089167
  H      1.56122182      0.28157625      2.52436724
  O     -2.77517998      0.35445227      6.32244575
  H     -3.89023574     -2.62651189      4.05164251
  H     -3.13317326      3.78482476      5.64279564
  O     -1.15902565      3.41567758      1.08767661
  H     -0.23420216      2.03864566      3.81417828
  H     -2.43229905      2.82780460      4.65099077
  O     -3.87783010      0.67787240      0.24441907
  H     -1.03996290      2.85477177      2.73588163
  H      0.71923716      0.87958065      0.44864919
  O     -2.47188210      0.18373760      2.56628108
  H      0.63338634     -0.24064284     -3.56938690
  H      0.70095660      1.10322919     -1.08574471
  O     -1.35966248     -2.79007375     -0.18795854
  H     -0.31051724     -0.35442834     -2.35454920
  H     -1.89318197     -3.46774280      4.42823512
  O      1.39923502     -0.20312304      1.70639815
  H     -6.31334401     -0.36965536      2.30537017
  H     -0.67247084     -4.17352788      5.06872320
  O     -3.23809716      2.95567584      5.18241458
  H     -7.51161898      0.11028975      3.15801083
  H     -0.92926994     -2.33475660      1.53800502
  O      0.28816221      1.38012281     -0.26163871
  H     -3.68579003     -0.49020898      3.73385896
  H     -0.68813188     -2.48010688      3.08879883
  O     -0.95219423     -3.36005565      4.65874072
  H     -5.19123477     -0.55708893      4.06604687
  H     -2.95621325     -3.36775258      0.49218990
  O     -0.65530425     -1.87266712      2.33963798
  H     -4.40063620      3.21259521      1.50638085
  H     -4.12299603     -4.37045154      0.51864509
  O     -3.80271547     -3.56559244      0.92199185
  H     -4.50116254      4.17100228      0.29565675
  H     -5.11258848     -0.60661346      0.58063317
  O     -5.65417939     -1.30507233      0.97764255
  H     -2.96071995      1.27034295      6.08612219
  H     -5.09878345     -2.09154050      0.98631197
          69
 Energy    -247.97573743887295     
  O     10.86469075     10.79951993    -12.28327332
  H     11.39024185     10.25959580    -11.67451307
  H     13.08055778      9.73684289    -10.11439128
  O     14.12558579      5.64958409    -14.47310330
  H      9.97384051     10.79040312    -11.94018030
  H     19.60523323      4.04746751    -12.16984489
  O     16.10673069     11.78482800    -14.54546141
  H     14.50869655      6.49418569    -14.75442720
  H     18.09346121      4.25925912    -12.42628076
  O     14.38913164     10.84347745     -9.29111224
  H     14.67960444      4.95892079    -14.85518976
  H     13.77102665     10.73644495    -16.87181082
  O     11.92247234      9.66358226    -14.62763644
  H     15.37696850     11.39898100    -15.04485013
  H     13.26348135     10.20971633    -15.50861762
  O     18.62828833     10.86623562    -14.27391252
  H     15.82431257     11.83043619    -13.62207797
  H     12.43945421      6.43749589    -14.15929917
  O     15.80434878      7.14527246    -10.79427225
  H     15.17769169     10.28770772     -9.15485811
  H     11.64503141      6.80048816    -12.89670967
  O     18.26867813      5.37708057    -15.21255278
  H     14.31884272     11.41327081     -8.52972152
  H     14.89459017      8.86416352    -15.57176823
  O     16.47974902      3.59548155    -12.49165682
  H     11.81000345      8.72601006    -14.41637831
  H     16.18973581      8.14376183    -15.04691408
  O     16.05936238      3.79458562    -15.31945897
  H     11.51511268     10.15296150    -13.90262286
  H     11.09905970      6.31220093    -10.39878594
  O     14.18719009      5.09631794    -11.73763352
  H     17.74091717     11.23385955    -14.44056494
  H     12.07295093      7.45430907    -10.76122659
  O     12.59472367      9.19025759    -10.74363095
  H     19.25374798     11.46110371    -14.67837115
  H     16.35203506      8.44976101     -9.58087392
  O     18.97260107      4.67004231    -12.51735751
  H     15.32226615      6.32836211    -10.96770368
  H     17.30935800      9.63675197     -9.78937542
  O     14.06495227     10.45217663    -16.01081519
  H     15.40413171      7.80340296    -11.38458457
  H     15.21156659     11.38949089    -10.96951579
  O     11.71719267      6.99259109    -13.83732730
  H     18.65721441      5.12675085    -14.36460680
  H     16.56718211     10.98870695    -11.62059177
  O     15.22687251      8.08122910    -15.11488798
  H     18.22130517      6.34112051    -15.20780737
  H     18.64736103      6.44611647    -12.11081167
  O     11.85076530      6.52737386    -10.94587800
  H     16.28105331      3.51455848    -13.43350954
  H     17.40198447      7.18493483    -11.56727249
  O     16.61957387      9.30147931     -9.20591535
  H     15.69129721      3.97862604    -12.08778453
  H     15.01869148      9.79667068    -12.41140875
  O     15.69956965     11.38107560    -11.80079247
  H     16.84286585      4.37075273    -15.37406836
  H     14.76044324      8.64378264    -13.43746367
  O     18.25258107      7.32068212    -12.01108981
  H     16.12680495      3.16807382    -16.03469380
  H     18.31845884      9.12594456    -11.64302205
  O     14.63921969      8.91516205    -12.52090080
  H     14.16780526      5.30227031    -12.68536156
  H     18.47524359     10.44954496    -12.40050791
  O     18.19133063     10.08166713    -11.55378699
  H     13.36545864      5.44794968    -11.37507722
  H     18.02962867      7.84328280    -13.73705903
  O     17.95488554      8.14824485    -14.65389306
  H     13.20382197      9.05245909    -11.48805996
  H     18.27355596      9.05851623    -14.65830650
          69
 Ord_Energy   -247.975662    
 O   -5.41129541      -4.96656752       10.7602196    
 H   -4.75111580      -5.66784668       10.9016132    
 H   -5.69147015      -4.67378664       11.6235943    
 O   -7.50236511      -7.47668648       3.03594494    
 H   -7.99847364      -7.56673574       2.22756863    
 H   -8.11256409      -7.10916805       3.70229578    
 O   -5.57755041      -8.80371952       9.66057777    
 H   -6.27684498      -9.44818878       9.49526119    
 H   -5.89517450      -7.96324110       9.30641365    
 O   -1.60556591      -6.66823816       4.74945164    
 H   -2.04907274      -6.00793695       4.20573092    
 H   -2.26133823      -7.36232471       4.90871429    
 O   -5.53333473      -5.67944670       4.05350161    
 H   -6.13833523      -6.28058434       3.60513020    
 H   -6.01844931      -5.32129383       4.80810118    
 O   -3.67587399      -8.34363079       5.51459980    
 H   -3.54110193      -8.86881828       6.31544018    
 H   -4.57315254      -8.53441334       5.21218634    
 O  -0.243816644      -5.98383617       6.98243284    
 H  -0.670570612      -6.26024294       6.15028095    
 H   0.696487904      -5.99250078       6.82748508    
 O   -4.07600832      -6.20873499       7.26980209    
 H   -3.53474712      -5.41452265       7.17308140    
 H   -3.95137858      -6.78097153       6.50189018    
 O   -6.33185911      -9.06604958       5.04212856    
 H   -6.69649601      -8.68110752       4.23668194    
 H   -6.88118410      -8.73291016       5.76594114    
 O   -7.08853912      -4.65878916       6.18963194    
 H   -6.95960379      -5.09839821       7.03560591    
 H   -6.60184479      -3.82084584       6.24340439    
 O   -2.88725257      -2.63364291       5.00458574    
 H   -2.96655369      -3.33319902       4.33659458    
 H   -2.54460406      -1.86169732       4.56053877    
 O   -5.62684727      -11.1671190       6.81026173    
 H   -4.76817560      -10.8765125       7.14111137    
 H   -5.83075047      -10.5952444       6.05748653    
 O   -7.99256134      -8.18538380       7.15104151    
 H   -8.00732422      -8.98516941       7.69061852    
 H   -7.54251242      -7.50264645       7.66723013    
 O   -2.29469585      -4.07286787       7.33299875    
 H   -1.48807430      -4.59638977       7.25420094    
 H   -2.37958694      -3.52775788       6.53936577    
 O   -7.53215218      -10.5568295       8.64170837    
 H   -6.88607454      -10.8870926       7.99073362    
 H   -8.04221630      -11.3068886       8.93392563    
 O   -1.98781228      -7.40490150       8.74552441    
 H   -2.76825905      -7.01451921       8.32301998    
 H   -1.23613465      -7.01136065       8.28939438    
 O   -6.42946911      -6.29593945       8.52861500    
 H   -6.29211855      -5.77018833       9.32684231    
 H   -5.58854914      -6.26638651       8.03768921    
 O   -3.15692592      -4.76110840       3.26263070    
 H   -3.12426376      -4.82236576       2.31168056    
 H   -4.02863884      -5.10368490       3.53784204    
 O   -3.47227740      -9.66445923       7.98724031    
 H   -4.21158457      -9.42059422       8.56306362    
 H   -2.74067521      -9.10549259       8.27915764    
 O   -8.93779278      -6.47099304       5.09609032    
 H   -8.44735527      -5.69497728       5.40260315    
 H   -8.84925938      -7.11970758       5.80639076    
 O   -5.45138216      -2.50758362       6.44938564    
 H   -5.14114714      -2.56763983       7.36630869    
 H   -4.65915918      -2.45320654       5.90702581    
 O   -3.72138476      -7.09516096       10.9699526    
 H   -2.95995235      -7.17412996       10.3814602    
 H   -4.30623245      -7.82707453       10.7342978    
 O   -4.34419298      -2.97343636       8.95255756    
 H   -3.53180861      -3.33942246       8.57812500    
 H   -4.66337729      -3.61671352       9.59450626    
          69
 Energy    -247.97558847110804     
  O     16.17048953     10.66814842    -15.16548635
  H     17.01998643     10.28067726    -15.41362115
  H     14.58316799     10.02349552    -12.13565709
  O     15.49740689      6.37838404    -11.30006250
  H     16.23420883     11.63016544    -15.16912698
  H     13.53486551      9.92052704    -10.25568474
  O     16.15727074     13.42917807    -14.80942847
  H     15.05426042      6.62699518    -12.12529135
  H     13.06602436     10.12517374     -8.79621938
  O     12.86991213      6.91763699    -10.34753490
  H     16.16762289      5.73740425    -11.55958729
  H     17.92396076      4.03533377    -12.67814891
  O     14.34745191      8.68526814    -15.68947102
  H     15.75069418     14.15815349    -15.26861144
  H     16.98088477      4.85610939    -13.59353093
  O     18.43350410      9.04654887    -15.56210491
  H     15.67113528     13.31391187    -13.97082526
  H     17.68144497     13.47042128    -10.10774601
  O     20.18741323     10.93068297    -14.43743267
  H     12.99826465      7.77236875     -9.91730424
  H     17.57763294     12.03614308    -10.68020629
  O     18.11718474      7.53864689    -13.28444788
  H     13.75725193      6.57495479    -10.51579553
  H     17.30550858      7.94161895    -16.52548355
  O     11.54165127      6.96747232    -12.71027639
  H     14.92436766      8.14875990    -16.24481712
  H     16.85948465      7.21903487    -17.81055954
  O     15.02095214     12.97381177    -12.41204645
  H     14.86777043      9.48050467    -15.50013700
  H     16.24460515      9.99524021    -13.47264023
  O     12.16027627      9.48604508    -13.93761041
  H     19.12316649      9.68019703    -15.32646119
  H     16.77440752      9.87085558    -11.99754529
  O     13.75439415     10.47590657    -11.91885858
  H     18.35986636      8.44822362    -14.80079663
  H     17.85098606     13.19014717    -14.01619560
  O     13.50810676      9.50928054     -9.37437885
  H     21.02429352     11.31550226    -14.68475179
  H     18.30393905     12.97205024    -12.56532194
  O     17.44865105      4.85898219    -12.73836618
  H     19.63709923     11.65805500    -14.09530102
  H     18.64329725      9.97717556    -10.94563660
  O     17.41655213     12.97638995    -10.87881852
  H     17.34127167      8.04239466    -12.99633085
  H     17.35703829      9.66342161    -10.07273738
  O     16.63085344      7.34920617    -16.89260453
  H     17.96488597      6.61287040    -13.06740057
  H     14.23478091      7.46920048    -14.31613802
  O     16.20596829      9.46364631    -12.66583784
  H     11.93476665      6.95387311    -11.81883860
  H     13.21640095      6.67830094    -13.45614284
  O     18.60069724     12.90285494    -13.48067195
  H     10.76417667      6.41719147    -12.67701028
  H     19.41030179      8.56737426    -12.41163892
  O     17.83768782     10.35068354    -10.55910861
  H     14.50356161     12.18470515    -12.20818436
  H     20.11874613      9.87348382    -12.79339796
  O     14.14261582      6.71074194    -13.72391962
  H     15.75811364     12.99915403    -11.78832617
  H     16.03399090      7.73206926    -10.10042995
  O     19.90063234      9.31368784    -12.03959107
  H     12.73109936      9.24438865    -14.67658498
  H     15.32067799      8.83252091     -9.29779365
  O     16.19128777      8.46431267     -9.48912136
  H     11.82821602      8.65705585    -13.56873284
  H     15.28486582      5.58629607    -14.60515937
  O     16.05172432      5.18063729    -15.03710685
  H     13.11525281     10.22221537    -12.59986939
  H     16.33178104      5.81443907    -15.70657405
          69
 Energy    -247.97547695774983     
  O     12.34739206      4.34605272    -12.38172069
  H     13.20312911      4.12657837    -12.77215350
  H     16.13585939      8.72894508    -10.66061360
  O     16.58659742     10.31430270    -14.78303885
  H     12.52688987      4.55133253    -11.45678825
  H     14.92835628      7.65205378    -11.86996184
  O     18.26142948      7.98412367    -12.71037787
  H     16.71936987      9.42503933    -15.13545093
  H     13.38852893      7.66649310    -11.74821470
  O     15.72252456     10.57981770    -11.13680173
  H     15.68138558     10.34223819    -14.44468030
  H     11.17755216      5.30630660    -13.23081471
  O     11.57072526      9.91709524    -14.50621522
  H     18.49748111      8.91908599    -12.66567546
  H      9.77571662      5.31507719    -13.87920964
  O     17.46905086      3.03026596    -14.13114524
  H     19.05015777      7.42916906    -12.65966297
  H     20.98803853      5.68839398    -12.38567959
  O     12.06142177      7.43505250    -15.49027056
  H     15.12496619     10.59792351    -11.90032978
  H     19.49809088      5.30198164    -12.21955004
  O     15.77476413      5.09437248    -10.68717018
  H     16.60062740     10.76121875    -11.49073046
  H     14.71205936      5.47367180    -14.39158171
  O     13.63326330     10.02068195     -9.35251344
  H     11.00811966     10.39796677    -15.10721900
  H     14.31806633      6.87396401    -13.92327658
  O     18.70347520      5.23887196    -15.11409749
  H     11.76705825      9.06225435    -14.93203393
  H     17.64082734     10.69530547    -13.46546053
  O     14.12617497     10.24545221    -13.40644741
  H     17.88964855      3.79353836    -14.56658615
  H     18.75297635     11.54009207    -12.79652129
  O     16.36923364      7.80125098    -10.77945995
  H     17.73121773      2.25478783    -14.61938653
  H     16.15805853      7.12818743    -15.10826864
  O     14.11230861      7.70450943    -12.38418046
  H     12.94531680      7.05026582    -15.43276700
  H     17.38735955      7.65598313    -14.30374211
  O     10.52634789      5.87004760    -13.68473512
  H     11.49444767      6.85276036    -14.96768780
  H     17.48518824      4.40866704    -11.18033314
  O     20.10592603      5.92754370    -12.65556790
  H     16.03210982      6.02329253    -10.59949632
  H     18.03332787      3.64666426    -12.40467576
  O     14.54943262      6.36727213    -14.71822608
  H     14.90475230      5.02382721    -10.27506360
  H     10.88171365      8.97195801    -12.93865994
  O     18.17527346     10.79540809    -12.65455509
  H     13.44417606     10.73923334     -8.75315619
  H     10.49070372      7.49673910    -12.73128803
  O     17.03350815      7.53198647    -15.19706008
  H     14.37536056     10.32018137     -9.89792815
  H     15.79039839      3.59365856    -13.58579423
  O     18.30057533      4.17074243    -11.63877005
  H     19.30249639      5.51240739    -14.40973948
  H     15.30816176      4.44464696    -12.38523121
  O     10.61183389      8.33568039    -12.26669467
  H     18.16190866      6.01170301    -15.32232222
  H     12.79526857      6.09395191     -9.84622085
  O     15.02461379      4.05682069    -13.22537079
  H     13.25642662     10.35733552    -13.80677452
  H     12.71585980      4.85555014     -8.92430239
  O     13.09511144      5.17419552     -9.73950199
  H     14.13405493      9.33087593    -13.08351698
  H     12.71896257      8.53466879     -9.87081869
  O     12.31155042      7.73706134    -10.23636992
  H     17.08724916      7.79164514    -11.43213399
  H     11.60435136      8.00310739    -10.84485520
          69
 Energy    -247.97545521302311     
  O     10.94267037     12.34115634     -9.35988293
  H     11.83345602     12.72319645     -9.38517645
  H     16.51934855      8.57095350    -11.05658362
  O     12.99034699      8.19262813    -16.73169499
  H     10.42133063     12.94086567     -8.83114071
  H     14.36728219      8.05621868    -10.92666193
  O     10.52957559      9.95434629    -10.62132792
  H     13.23781271      7.66057815    -17.48323541
  H     14.64867194      7.67221616    -12.38649626
  O     13.78147508      8.26121944    -14.01952455
  H     13.06383220      9.12273330    -17.01098360
  H     13.87314592     14.09167148    -12.82547424
  O     13.48521175     13.42378394     -9.55474987
  H     10.63650670     10.81679461    -10.18423313
  H     12.51411161     13.35164365    -12.96527632
  O     12.99949944     10.83673047    -17.40924531
  H      9.75853095      9.54313104    -10.23887513
  H     12.29355082      9.39787564    -10.24595376
  O     11.52459701      9.74781496    -13.24794825
  H     13.57170189      8.09168827    -14.94660085
  H     13.64066848      9.98305904    -10.74246546
  O     14.11543540     10.85051743     -7.97367397
  H     13.01878446      8.73532021    -13.65658545
  H     17.83822316      9.97476381    -12.23682401
  O     14.38047562     11.22251715    -11.80356130
  H     14.44101682     13.28283784     -9.57085678
  H     18.94697465     10.08966732    -13.31165722
  O     17.29383193     13.14338922    -12.56615696
  H     13.26692545     13.68166061    -10.46327355
  H     12.73559234     12.33084408    -14.78094408
  O     14.38576308     12.41623151    -15.53300641
  H     12.09745366     11.15261381    -17.27683871
  H     11.22330143     12.18834497    -15.06760501
  O     17.25473923      9.17137465    -10.86223893
  H     13.56618896     11.44035007    -16.91108555
  H     16.52384253     11.97185042     -9.44983565
  O     15.02853917      7.64584601    -11.50043984
  H     11.67397285     10.65298945    -13.55450060
  H     15.58365845     12.01181567    -10.67276689
  O     13.14133882     13.70960073    -12.32192265
  H     11.12790107      9.80506257    -12.37116870
  H     16.46390392     10.25158974    -13.89808437
  O     13.24799194      9.33800495    -10.13114603
  H     13.80484818     11.71193286     -8.26397780
  H     15.07735426      9.52822915    -14.15466019
  O     18.09039657     10.42614481    -13.06469608
  H     13.76414766     10.22246773     -8.62318032
  H      9.52203905     11.72883471    -17.05066130
  O     11.86429409     12.30949178    -14.35643931
  H     14.81509041     10.94138801    -12.61784486
  H     10.24583820     10.58338174    -16.30157417
  O     16.12855619     12.57025431    -10.09468250
  H     13.90206248     12.03900978    -11.99362232
  H     15.85010664     10.55762020     -8.10774298
  O     15.55396271     10.36873374    -14.19812182
  H     17.64820824     12.27715099    -12.79823552
  H     17.25523558     10.32432737     -7.50718890
  O     10.31933830     11.51604952    -16.57400508
  H     17.01979975     13.07377060    -11.64107621
  H     15.69242469     15.37169429    -14.08891365
  O     16.79517282     10.47973381     -8.32758032
  H     14.75045426     13.21398699    -15.13344459
  H     16.09464717     14.02503980    -13.44281185
  O     15.36744706     14.49845245    -13.88679612
  H     14.85529183     11.67033560    -15.12530849
  H     11.18656710      8.53068182    -16.10336870
  O     10.41810952      8.94679220    -15.69388654
  H     17.11377457      9.52223952     -9.97719403
  H     10.67646726      9.11131193    -14.77570000
          69
 Energy    -247.97532155020701     
  O     -1.22953761     -1.48394905     -0.80281642
  H     -1.40335126     -0.94387727     -1.56858265
  H     -0.47729537     -6.43217484      1.45065690
  O     -3.29761282     -0.57112928      7.26838234
  H     -2.06325734     -1.94340527     -0.58906104
  H      2.78605131     -2.36501833      3.31646487
  O     -2.13380680     -0.38556268      3.41419802
  H     -3.99032263     -1.24302692      7.27896710
  H      3.00197618     -3.86199027      3.63039271
  O      1.09635818     -2.99771704      6.13222535
  H     -2.53195450     -1.00756864      6.86621117
  H     -0.34824079     -2.71528315      2.33088229
  O     -5.11810879     -2.72543531      6.75052954
  H     -2.60012436      0.26625556      3.95219826
  H     -0.17693810     -4.25120459      2.69531803
  O     -1.41456602     -1.88891608      5.69861923
  H     -2.81781055     -0.93848644      3.00660271
  H     -3.52389502     -5.03101655      2.22757754
  O     -0.35611275     -5.41894796      5.57499398
  H      1.62021050     -2.87575576      6.91984070
  H     -2.38224486     -4.16494476      2.79863083
  O     -5.66347427     -0.96243114      4.53277514
  H      1.71362947     -2.98545992      5.37957238
  H      3.98709696     -5.98813943      2.46305491
  O     -0.04250695     -0.90786071      1.70017725
  H     -5.71022875     -3.25669376      7.27676864
  H      3.10132771     -4.91202251      1.78551927
  O      0.49226562     -5.92803485      3.01306183
  H     -4.42594432     -3.32352574      6.42276508
  H     -3.98245172     -2.86294498      2.69790762
  O     -3.53499325     -5.66699195      0.46530360
  H     -0.49667517     -2.17215766      5.79395678
  H     -4.84537002     -1.62489909      3.08394968
  O     -0.93113132     -6.45729288      0.59714244
  H     -1.51857237     -1.41504192      4.86408921
  H      2.77672551     -2.90355744      0.82728132
  O      2.75859284     -3.01640167      4.02708648
  H      0.15779619     -4.64996741      5.85150998
  H      1.84316001     -3.90588150      0.11504528
  O     -0.78819955     -3.56947049      2.38048490
  H     -1.27937991     -5.18533915      5.72224654
  H      3.11461502     -0.44042644      1.63283144
  O     -3.27125834     -4.50543126      2.99517124
  H     -5.57226248     -1.55963088      5.28589742
  H      1.69938225     -1.05103449      1.76502657
  O      3.23426024     -5.42164305      2.60622867
  H     -5.14325933     -0.17932939      4.74938048
  H     -0.33115743     -3.92670506      0.60597925
  O     -4.20713047     -1.95853108      2.43715528
  H     -0.73276096     -0.57969326      2.29389080
  H     -0.30498835     -3.17759327     -0.72550291
  O      2.72431172     -3.81008031      0.50093895
  H     -0.44279463     -1.03666153      0.82917191
  H     -3.91141682      2.01743117      5.45475996
  O      2.64959652     -1.25636885      1.79852944
  H      1.45412984     -5.87921347      2.96389322
  H     -3.58419641      0.60817738      6.00442459
  O      0.03583243     -3.96671054     -0.29057730
  H      0.22657047     -5.89693119      3.94485032
  H     -2.43639952     -3.38388989      5.70169048
  O     -3.74246908      1.11763387      5.18932901
  H     -2.62592431     -6.01456346      0.49470531
  H     -3.18652088     -4.39257122      4.78567936
  O     -3.00453770     -4.16990938      5.71089078
  H     -4.06814831     -6.33148749      0.03741836
  H     -3.50763493     -3.76523633     -0.01369566
  O     -3.46756739     -2.80803332     -0.11946222
  H     -0.50623107     -5.77970122      0.05524451
  H     -3.83412480     -2.42818183      0.69166367
          69
 Energy    -247.97503039670377     
  O     15.70791751      9.17543504    -15.29938878
  H     16.18761301      9.63125760    -16.01434382
  H     17.17689058     11.99406778    -10.45726751
  O     17.91945379     14.89137790    -16.45518506
  H     15.30253468      8.40388024    -15.68473868
  H     19.72417243     16.00248797    -11.13577222
  O     21.51843000      9.71774145    -14.94885311
  H     18.73471968     14.57922488    -16.86509670
  H     19.68351738     17.53407306    -10.94084694
  O     19.45618351     14.31250570    -10.59041409
  H     18.18982793     15.47955982    -15.73952866
  H     21.67739430     12.55887476    -11.98188618
  O     16.02775424     12.03697690    -12.02219256
  H     20.97953575      9.45625135    -14.17878024
  H     22.48107737     13.30320370    -10.87537046
  O     20.28539122     10.51428877    -10.26396485
  H     22.15684531      9.02277980    -15.08227780
  H     16.84519014     10.49434082    -12.63126195
  O     19.74377925     11.27352896    -16.57326426
  H     20.29183559     13.84655916    -10.72925550
  H     16.77178240      9.50331492    -13.83206137
  O     21.36947518     14.75499666    -14.93388139
  H     18.86149944     13.67198012    -10.17100104
  H     20.69448024     13.82480188    -18.33838232
  O     21.37830316     12.25617131    -13.71660263
  H     15.39271133     11.92820712    -12.74655785
  H     20.21774201     12.87753463    -17.21261535
  O     14.64533238     11.69502348    -14.38023620
  H     16.49541441     12.85933242    -12.22443530
  H     22.20747105     15.78526480    -13.55210629
  O     17.01880824     10.65600983    -17.15114261
  H     20.61995076     10.12493603     -9.45892110
  H     21.63632725     16.51317185    -12.31767222
  O     17.91984437     12.17065286     -9.86714934
  H     20.85022010     11.28198148    -10.45499358
  H     19.86099290     15.68568998    -14.45445384
  O     19.89480717     16.85301480    -11.57452329
  H     20.38940075     10.65082901    -16.21938342
  H     19.25852762     16.58834929    -13.36000300
  O     21.71933433     12.72629248    -11.02896213
  H     19.27498750     11.61802165    -15.79366248
  H     23.34697265     15.18335619    -11.54416182
  O     17.34634373      9.83242896    -13.12838800
  H     21.17265627     14.54131265    -15.85357254
  H     24.57456353     14.91687046    -10.65410159
  O     20.39864920     13.80700157    -17.43159945
  H     21.46721547     13.90371716    -14.48316370
  H     20.18466213      9.55271311    -11.90246073
  O     22.45408110     16.17995106    -12.70659491
  H     21.69466304     11.44839779    -14.13634060
  H     19.05594154      9.23523361    -12.88849920
  O     19.05172348     16.15196643    -14.19533251
  H     20.41112847     12.20434833    -13.77378493
  H     18.23360412     11.26378422    -13.85484488
  O     23.72043854     14.56721837    -10.89068352
  H     14.82710212     10.79843814    -14.68617509
  H     18.26991531     12.81810061    -13.78863968
  O     20.01200238      9.15503766    -12.76412383
  H     15.02388746     12.27490323    -15.05300992
  H     15.17895003     13.57898333    -17.13283947
  O     18.67960618     12.04763129    -14.20001047
  H     16.63100129     11.53238159    -17.02126002
  H     16.55568699     13.79860315    -16.47734002
  O     15.82227356     13.16591379    -16.56097298
  H     17.97521303     10.77330241    -17.11715409
  H     17.98479317     14.90407074    -13.33305108
  O     17.69184635     14.17969662    -12.76684517
  H     18.57585669     11.48100524    -10.02522781
  H     18.28478448     14.19009002    -12.00227396
          69
 Energy    -247.97500004351855     
  O     13.26893949      5.31889897    -14.81848023
  H     13.43500156      4.62284173    -14.17181882
  H     19.41510040      8.76477211    -12.10124534
  O     16.60597811      6.80142207    -11.45401086
  H     12.79207580      6.00692307    -14.33640949
  H     16.23208755     12.00990820    -14.35552822
  O     15.92346157     10.96605715    -10.93257087
  H     16.43494655      7.63511006    -11.92064041
  H     17.56378738     11.28059082    -14.61360387
  O     18.03290923      9.55693737    -14.97460206
  H     17.09421646      7.02406366    -10.65268237
  H     15.32927476      8.98475454    -13.44278697
  O     16.44057687      3.24606768    -13.89886877
  H     16.74727668     11.45637759    -11.02341321
  H     16.83672815      9.26713059    -13.57563799
  O     11.64533799      9.48241430    -11.34069429
  H     15.97091031     10.27435619    -11.61093903
  H     15.57882260      9.84120509     -9.48999973
  O     14.01943845      5.89846560    -11.22717490
  H     17.71019063      9.19348143    -15.81226655
  H     16.31984150      8.64996620     -8.88075632
  O     14.36476425     11.60383471    -14.74616674
  H     18.70187307      8.94877951    -14.63817828
  H     13.37318165      2.94380370    -12.20555888
  O     13.10578182      7.76449872     -9.50429570
  H     15.59587828      3.30403483    -13.42782263
  H     13.94958012      4.36933003    -12.06231219
  O     19.59395785      7.62266153    -13.69759184
  H     16.30422626      2.61528153    -14.60251160
  H     18.93887974     12.73780553    -11.65062838
  O     17.55582434      5.76282765    -13.78418869
  H     12.25627820     10.20188458    -11.57973372
  H     17.99381140     12.06361764    -12.67145382
  O     19.28055209      9.25144461    -11.28072214
  H     10.82405769      9.89502678    -11.08701242
  H     18.68192861      7.57477823     -8.65731675
  O     17.18334898     12.07779696    -14.21596510
  H     13.62952529      6.44376161    -10.52600687
  H     18.52429479      8.39467867     -9.96020116
  O     16.14684721      9.05174385    -12.93481053
  H     14.94984305      6.15720481    -11.28382828
  H     14.23475602     11.39300167    -11.54715155
  O     15.46569506      9.09524332     -8.88586627
  H     13.93485247     12.02079449    -15.48934836
  H     13.66049395     11.59926390    -12.95893021
  O     13.94656708      3.57750833    -12.62906634
  H     14.23659289     10.64649827    -14.85485069
  H     14.77288837      6.09127521    -15.44111427
  O     18.42852964     11.94788431    -11.80744108
  H     13.90192378      8.23263016     -9.20854878
  H     16.24085214      6.36522929    -14.99623196
  O     18.04533086      7.84660335     -9.31253387
  H     12.58065718      8.40230994     -9.99929474
  H     12.05728051      8.09790885    -12.49723946
  O     13.40733990     11.41685782    -12.04711830
  H     18.93136605      6.91523120    -13.77119599
  H     13.02884570      6.89890698    -12.43895669
  O     15.55311903      6.63704643    -15.61736742
  H     20.43916086      7.22538667    -13.89345053
  H     14.58764688      8.16991144    -15.18149578
  O     12.48008396      7.42080195    -13.04154706
  H     17.24003263      6.05721123    -12.91532769
  H     13.41071618      8.42230821    -14.20305153
  O     14.06217652      8.86614258    -14.76546260
  H     17.30036879      4.83373704    -13.86703091
  H     16.46285056      7.65517270    -16.77720553
  O     17.00269254      8.33589572    -17.21113596
  H     19.03995516     10.15681693    -11.51333535
  H     16.80221417      8.28199331    -18.14157004
          69
 Ord_Energy   -247.974991    
 O    1.11059630       5.43046808       1.51884639    
 H   0.200393349       5.15465689       1.68997884    
 H    1.22081304       5.32944727      0.565496027    
 O   -2.20500803       7.02695227       4.49465990    
 H   -1.43959618       7.29269123       3.96633887    
 H   -2.98345017       7.26516342       3.97886777    
 O   0.862166941       4.79160976      -1.24559283    
 H   -2.42026504E-02   5.16652441      -1.40507305    
 H    1.38313186       4.97528601      -2.02210736    
 O   -2.17145872       4.99401426       6.23083782    
 H   -1.80826044       5.31382275       7.05261374    
 H   -2.22350311       5.76154995       5.63191032    
 O  -0.309564978       2.56625533      -2.06343993E-03
 H   0.206883594       3.22284579     -0.487956882    
 H   0.296425343       2.00424743      0.497983187    
 O   -1.20828521     -0.273803800       2.35637903    
 H   -1.55476606      0.153794512       3.15163493    
 H  -0.345716059      0.117458478       2.17938995    
 O   -4.62400627       1.48936248       2.29868269    
 H   -4.33539200      0.746879816       1.75398982    
 H   -4.50618458       2.28576803       1.75971317    
 O   -4.39219332       7.58595228       2.74437761    
 H   -5.00028610       8.31816006       2.79875231    
 H   -4.92241907       6.77245808       2.81790853    
 O   -4.20477295       3.84332013      0.921953499    
 H   -3.30944967       4.02629328       1.23806214    
 H   -4.17382002       3.88411140      -4.13823910E-02
 O   -3.76697087       3.79443240      -1.84204030    
 H   -4.33683634       3.71576047      -2.60214591    
 H   -3.35763502       2.92049336      -1.70082474    
 O   -5.70636225       5.23197699       2.80586696    
 H   -5.90599394       4.52958965       3.43344760    
 H   -5.27474260       4.79212236       2.05928087    
 O    1.27172410       1.00528312       1.68999183    
 H    2.07801247      0.503350019       1.60763085    
 H    1.46659756       1.75891972       2.27628469    
 O  -0.943481028       3.43593907       4.26039934    
 H   -1.45540762       2.61489511       4.27183199    
 H   -1.27539575       3.98762727       4.97947693    
 O   -1.57697260       4.32042456       1.74453068    
 H   -1.17921376       3.66564798       1.15141761    
 H   -1.41236031       4.05052519       2.65957141    
 O   -3.89016080       2.69753003       6.18764400    
 H   -3.41583467       3.53648329       6.24902582    
 H   -4.67816687       2.86243010       5.65541363    
 O    1.62766778       3.20374990       3.19865155    
 H    1.67879307       4.00819683       2.66722775    
 H   0.813801885       3.28201246       3.71658278    
 O  -0.234270915       7.69707155       2.63167143    
 H   0.465178907       7.10075665       2.34164190    
 H  -0.898010135       7.66082668       1.93014932    
 O   -2.56417704       1.47301424      -1.21449983    
 H   -1.73026037       1.78387451     -0.833670974    
 H   -2.88240266      0.777157545     -0.628757954    
 O   -6.06317282       2.80049133       4.29628849    
 H   -6.89874935       2.38473487       4.49785137    
 H   -5.64273167       2.25444388       3.61220407    
 O   -3.35455990     -0.472364277      0.730678082    
 H   -3.55133033      -1.38906527      0.557219684    
 H   -2.54555535     -0.457649738       1.27472472    
 O   -2.60298347       1.22957110       4.26634789    
 H   -3.27282214       1.31408012       3.57457042    
 H   -3.00751376       1.59283900       5.06876898    
 O   -1.65679908       5.71526432      -1.53547525    
 H   -1.94695187       6.27285051     -0.800416470    
 H   -2.37927437       5.10171843      -1.71316934    
 O   -2.35797668       6.91104555      0.896405816    
 H   -3.10903597       7.21383429       1.42210174    
 H   -2.10306191       6.05191422       1.26315224    
          69
 Energy    -247.97490710168046     
  O     15.73799632      8.91614718    -14.37597589
  H     16.27790310      9.19816483    -15.13632245
  H     16.78875862     10.78141653    -16.44010732
  O     17.08156284     15.01055096    -16.55071646
  H     15.19992149      8.19025336    -14.68078619
  H     18.81058176     12.06746199     -9.42423413
  O     19.91795781     10.82681466    -16.76871981
  H     17.84202196     14.52470020    -16.92056322
  H     19.03327560     10.55332255     -9.60737707
  O     19.43766024     13.53136611    -10.33116889
  H     16.73183225     15.55074626    -17.25473826
  H     21.37627622     16.65425283    -13.02657213
  O     15.13330402     12.76741700    -11.78223493
  H     20.64278544     10.42704334    -17.24443277
  H     19.83455681     16.68879640    -13.09992984
  O     19.80646125      9.42852831    -11.02140140
  H     20.27072228     11.09438601    -15.90468339
  H     20.61400388     12.42315645    -11.18010468
  O     15.98057279     10.68696729    -10.01028062
  H     18.75252571     13.79493817    -10.96314590
  H     20.90831778     10.92392418    -11.38254729
  O     20.91784845     14.42369105    -15.23685414
  H     19.95127247     14.32094231    -10.12356634
  H     16.74872029      9.24311428    -12.91616852
  O     21.06125877     15.79347233    -10.10770577
  H     15.38530866     12.13416087    -11.09997654
  H     16.75120272      9.92036028    -11.50277199
  O     20.61457012     11.84078210    -14.28464837
  H     15.87187154     13.38306038    -11.86481278
  H     19.38402776     12.67499861    -17.30849480
  O     14.32638481     11.54344317    -14.13629295
  H     18.96652855      9.43022336    -11.50994066
  H     19.95633627     13.99052747    -16.75480055
  O     17.19882454      9.90266143    -16.44883721
  H     20.05295374      8.51383620    -10.90725458
  H     22.97441036     15.11077728    -12.99935112
  O     18.48679360     11.19895972     -9.14496536
  H     16.83791105     10.91083782     -9.60574345
  H     23.77415692     16.06275523    -13.92248255
  O     20.58547908     16.90937811    -12.53484636
  H     15.41518906     10.37646158     -9.30825701
  H     19.44064475     15.29603790    -14.58967712
  O     21.24588577     11.80586364    -11.57993687
  H     20.88981583     13.52627863    -14.87449008
  H     18.00655054     15.67285612    -14.99626241
  O     17.31629010      9.60775899    -12.22303938
  H     21.67561969     14.86996812    -14.84072360
  H     22.36982776     14.65569092    -10.94406872
  O     19.28595149     13.63187201    -17.35426102
  H     21.17831596     16.46781740     -9.44429675
  H     22.49329907     13.24498105    -11.55870897
  O     22.90233392     15.71247624    -13.76226660
  H     20.83240660     16.24987205    -10.93756501
  H     17.69215871     11.09450076    -13.25365642
  O     18.65192032     15.77048517    -14.28641779
  H     19.65507683     11.86711823    -14.13083893
  H     17.36147073     11.99472926    -14.49973262
  O     22.88784483     14.12598176    -11.56392341
  H     21.00971642     11.79049183    -13.40613944
  H     15.42476536     12.25851616    -15.32784490
  O     17.96906006     11.86859447    -13.75829079
  H     14.53353229     11.96925458    -13.28961863
  H     16.32080125     13.33998638    -16.05666550
  O     16.22030457     12.40264349    -15.86498366
  H     14.65617117     10.64075533    -14.08709849
  H     17.70900169     13.31061379    -12.76962482
  O     17.59340512     14.13605998    -12.27312096
  H     18.13889318     10.06798111    -16.57840757
  H     17.88251279     14.83309216    -12.87454289
          69
 Ord_Energy   -247.974884    
 O    3.25972176      -3.69263506       8.05651760    
 H    2.67983365      -3.17974901       7.48271322    
 H    2.82643270      -3.74464107       8.92268944    
 O    1.30192065     -0.166473463       8.03424549    
 H   0.956887066     -0.495548636       8.87399673    
 H    1.36371696     -0.912385225       7.42294359    
 O    3.07537460       3.42898440       5.82561302    
 H    2.25078893       2.94140291       6.00219154    
 H    2.84291863       4.35166168       5.77149963    
 O    2.95361733       4.90315594E-02   11.5384502    
 H    3.33584094      0.410178214       10.7270288    
 H    3.52935338     -0.685210347       11.7872887    
 O    1.98829663      -4.26464462       4.34948111    
 H    2.81900311      -4.55722284       4.76749325    
 H    1.45978117      -5.04476023       4.20494986    
 O    2.20075965      -3.44946980       10.5591440    
 H    1.56811070      -2.72141123       10.5931835    
 H    2.95247269      -3.16756439       11.0954161    
 O    6.73009253      -3.66515446       4.86489916    
 H    6.32757950      -3.11102080       4.17398453    
 H    7.42935276      -4.16205645       4.44702148    
 O    2.77702403      -2.20107126       2.55372190    
 H    2.20181561      -1.47274411       2.81413198    
 H    2.46323752      -2.97359371       3.04151320    
 O    3.81490731       1.25654399       4.23992968    
 H    4.05752993      0.603752196       4.91386890    
 H    3.61954999       2.08101916       4.70337009    
 O    6.82939911      -1.67297006       6.90405941    
 H    7.12491035     -0.844343483       6.49260521    
 H    6.93960476      -2.38370800       6.26154280    
 O    1.35330892     -0.106823519       3.98908329    
 H    2.18380451      0.393171579       3.98751330    
 H    1.41974699     -0.747023582       4.70800972    
 O    7.22326660      0.700858295       5.65982533    
 H    6.99892092      0.777920663       4.72832537    
 H    6.60694075       1.27261901       6.14575911    
 O    6.14373493      0.734488249       2.90237689    
 H    5.29315472       1.03194487       3.26849794    
 H    6.37711525       1.34857404       2.21084738    
 O    1.87445056      -2.09256530       6.10269165    
 H    1.75746608      -2.84995985       5.51409054    
 H    2.77580667      -1.75168073       5.96074581    
 O    5.42173958      -1.96701598       3.16743422    
 H    5.75237894      -1.08883500       2.93915319    
 H    4.52936983      -2.06501055       2.79957128    
 O    4.35442019      -1.12203372       5.63283539    
 H    5.12454414      -1.18873858       6.20842552    
 H    4.64034224      -1.45408893       4.77052450    
 O    4.24736595      -4.86942816       5.69444466    
 H    5.12108755      -4.52234077       5.48319483    
 H    4.04420233      -4.59684467       6.59968948    
 O    5.22985268      -2.01584506       9.07573032    
 H    4.58680391      -2.63251567       8.69717693    
 H    5.93661404      -1.90669620       8.42411232    
 O    4.57045460      -2.29315805       11.7255774    
 H    4.92771626      -2.19426727       10.8261938    
 H    5.28409243      -2.61461377       12.2703600    
 O   0.642488062      -1.03913951       10.6222448    
 H  -0.109549537     -0.839272261       11.1733618    
 H    1.41357648     -0.599322677       11.0249710    
 O    3.91250253      0.472222954       8.90704918    
 H    3.03562737      0.291648388       8.54225445    
 H    4.37897491     -0.373276204       8.95870590    
 O    5.29554796       2.08958006       7.08131647    
 H    4.61194944       2.67548418       6.73969841    
 H    4.87072706       1.58172238       7.78606749    
 O   0.889011979       1.85021901       6.13083410    
 H   0.786358118       1.30158973       5.34557962    
 H   0.944445491       1.23657882       6.87646818    
          69
 Energy    -247.97488117774532     
  O     13.54136033      7.06637846    -14.33733959
  H     14.30584783      7.66340420    -14.31156615
  H     17.13063182      6.09644017    -15.11249785
  O     17.63790891     11.76650112    -12.00877927
  H     13.68275555      6.44412448    -15.06066326
  H     14.99460848     12.53080178    -17.16232933
  O     17.16303505      7.96530127    -17.87159512
  H     17.60750113     12.66632440    -11.69526796
  H     15.51947393     11.26387697    -16.44738351
  O     11.89373375      9.31803636    -14.34289985
  H     16.71770306     11.44885904    -12.04206036
  H     15.57738981      9.35255886    -13.30970631
  O     16.10625908      7.90050391     -9.68190006
  H     17.15406270      7.23564473    -17.22515936
  H     16.33112117      8.02245272    -13.69136896
  O     13.53895038      6.26672666    -11.72493007
  H     17.77463959      7.71531714    -18.55871671
  H     19.41394666      8.95410946    -13.37846976
  O     15.15042764     10.72984097    -12.16934630
  H     11.44766069      9.33527856    -13.48811378
  H     20.58176261      8.04318264    -12.92821729
  O     14.30775194      7.51209403    -18.08751153
  H     12.39226845      8.48824278    -14.36337073
  H     11.77831106      6.31102950    -11.32992891
  O     16.19033158      5.57516022    -11.00150061
  H     15.30203686      8.41167271     -9.81399868
  H     10.35978439      5.71538036    -11.36642970
  O     16.79321359     10.07252136    -16.09929840
  H     16.85327422      8.45951856     -9.94711281
  H     18.23890703     10.37121649    -14.90214189
  O     14.17067801      5.38920012    -16.46854144
  H     14.40152665      5.89946043    -11.50278141
  H     18.48104286     10.96870526    -13.49402272
  O     16.94641947      5.96682289    -16.05156149
  H     13.53917800      6.47349801    -12.67281106
  H     18.22570635      7.04152439    -13.12071546
  O     14.73544405     11.82335164    -16.57788267
  H     14.62768606     10.16073119    -11.59016797
  H     17.04851226      6.18779792    -12.53189665
  O     15.70697487      8.69256414    -14.00229401
  H     14.54324787     11.15163422    -12.79904856
  H     18.11366507     10.22843673    -10.98176247
  O     19.63963600      8.16586724    -12.85095837
  H     15.22808859      7.79176800    -18.13544493
  H     18.79920969      8.88774024    -11.27422955
  O     10.83813159      6.52669868    -11.21687586
  H     13.79259343      8.26897422    -17.76891211
  H     12.41521911      9.57562189    -16.21168391
  O     18.86756931     10.39712968    -14.17060327
  H     16.19704418      6.39015432    -10.46394653
  H     13.45887702     10.43889219    -16.94667500
  O     17.39027886      6.60313621    -13.33324961
  H     16.47051787      4.86470008    -10.43108962
  H     13.65616926      8.01251572    -11.06100910
  O     18.25546923      9.34467459    -10.62219649
  H     16.99281719      9.42867329    -16.79125765
  H     12.69998865      9.20248123    -10.93282958
  O     12.90881136      9.65155938    -17.03630172
  H     16.36382089      9.57681162    -15.38354299
  H     13.86243481     11.83586612    -14.90396591
  O     13.60674533      8.92813464    -10.75224837
  H     14.16705405      6.12244367    -17.11368062
  H     12.87679480     10.89338954    -14.17671866
  O     13.45575992     11.65726129    -14.04740209
  H     13.75956067      4.64334489    -16.89545480
  H     10.16155422      9.67892199    -11.26283740
  O     10.90258451      9.22305221    -11.65399759
  H     16.04050203      5.64023793    -16.11644239
  H     10.77036224      8.27351698    -11.48680204
          69
 Energy    -247.97461803796278     
  O     18.35164968      8.85612600    -10.74442591
  H     17.62477963      9.21095718    -11.27144989
  H     17.42376878     11.23107169    -12.38997696
  O     14.04202006      9.05367549     -8.90980796
  H     18.01133886      8.11854045    -10.22185631
  H     19.07604348     11.29734002     -8.95019503
  O     18.83920070      2.80074114    -10.95353458
  H     13.60846341      8.70352718     -8.13621715
  H     19.20977713      9.92778874     -9.63666497
  O     21.28951203      6.29554259    -11.67064317
  H     14.82608220      9.52719496     -8.58273336
  H     20.26840873      9.23712525    -13.11305663
  O     16.26120023     10.31230452     -7.99706151
  H     18.71366103      1.88734178    -10.71201901
  H     19.43853727      8.48734895    -12.06210034
  O     18.06296655      4.67856492    -14.62929759
  H     18.01283425      3.09863303    -11.37495020
  H     20.73615257      4.81138767    -12.68295380
  O     22.72598926      7.70295531     -9.69025114
  H     21.90567945      6.72410531    -11.06357477
  H     19.89384469      3.55201335    -12.38906873
  O     20.85162413      6.95965084     -7.86642453
  H     20.87893055      7.00468133    -12.18587210
  H     16.27420746      4.58915910    -11.94693418
  O     18.47021244      8.53417170     -7.28127288
  H     16.69253069     11.04611400     -8.45028522
  H     17.02386587      3.99809295    -13.15380677
  O     17.44333347      6.74227407     -9.24645273
  H     16.95867031      9.77844383     -7.60038086
  H     16.71449984      8.91818278    -13.20443684
  O     17.64092839     12.43239991     -9.39403986
  H     18.88897531      4.48883746    -14.14811149
  H     15.55518627      9.38789471    -12.29250129
  O     18.03636048     11.89163232    -12.04080588
  H     18.14661648      4.27562549    -15.48924526
  H     22.25111149      9.44732923    -10.30922258
  O     19.60759635     10.49223073     -8.95213890
  H     22.08760318      7.50031398     -8.98289937
  H     21.19164221     10.47000345     -9.86835193
  O     19.92559648      8.36318723    -12.89451731
  H     23.59329079      7.54465098     -9.32596000
  H     13.17827629      8.61179350    -11.87985358
  O     20.23345978      4.10273534    -13.10535088
  H     20.12851279      7.46237008     -7.47589659
  H     14.03084275      8.73716892    -10.59349827
  O     16.68161825      3.77817310    -12.27824730
  H     20.44437617      6.21354900     -8.32698690
  H     18.40177224      7.61881165    -13.54648303
  O     16.41726622      9.64687406    -12.64252128
  H     18.04157710      7.92176608     -7.89745953
  H     17.63662597      6.42211726    -14.15671761
  O     21.87703742     10.30712106    -10.53222033
  H     18.94001080      9.20411123     -7.80148375
  H     21.27674798     11.63428913    -13.34999716
  O     14.06745842      8.53220365    -11.54528000
  H     18.17969101      6.12363099     -9.36485440
  H     21.17631055     10.82871384    -12.03310407
  O     17.51360175      7.27597255    -13.72358731
  H     16.79458986      6.53885151     -9.93320206
  H     15.17330114      7.00881649    -11.54447546
  O     20.70195135     11.05775580    -12.85369040
  H     17.75223123     12.28729695    -10.35033287
  H     16.50381417      6.69028378    -12.26297978
  O     15.91141962      6.38800537    -11.55918637
  H     17.48507607     13.36530909     -9.27472934
  H     19.39952709      4.27832002     -9.99266024
  O     19.65819933      5.15576558     -9.68596808
  H     18.91654910     11.64038035    -12.34543584
  H     20.18878509      5.55059682    -10.39259630
          69
 Energy    -247.97459661780425     
  O     -8.10043065     -1.32382202      6.58326024
  H     -8.88199435     -0.76490383      6.49573130
  H     -7.32255972      0.72733154      4.12957428
  O     -9.21739746     -3.17427478      2.71486377
  H     -7.36136013     -0.74923197      6.81404654
  H     -5.13005364      0.15531857      6.40193359
  O     -7.58497609     -3.50698959      5.05826650
  H     -8.70477250     -3.39443562      3.50117393
  H     -5.33106511      0.40774681      7.91649447
  O     -5.09008635      0.19817162      0.55244248
  H     -9.72903752     -2.39047126      2.95682477
  H     -1.56656407      3.80321171      1.16945699
  O     -7.13255411      2.09709404      5.38758625
  H     -7.80942215     -2.74690645      5.62532366
  H     -2.77510363      4.23586116      2.03333016
  O    -10.47964996      0.25002605      6.16091440
  H     -7.60056266     -4.27955853      5.61673385
  H    -10.12035616      4.47893792      2.07704351
  O     -4.11126518     -0.18705095      5.05881163
  H     -4.94286320     -0.75378674      0.61261247
  H     -8.83648986      3.63556324      1.96869445
  O     -4.81649454      2.99719253     -0.13068215
  H     -6.04977219      0.31140631      0.51366593
  H    -10.55850688      0.47685971      2.05489523
  O    -10.15590185     -0.65237101      3.51101154
  H     -6.51208775      2.60521418      4.84660659
  H    -10.40256475      1.96596380      1.67736742
  O     -5.11462611     -2.60948674      0.98994434
  H     -6.63630727      1.61840254      6.06280907
  H     -6.22342869     -2.69620106      4.11659504
  O     -3.72445797      1.35927878      2.71980052
  H    -10.30410464      1.13855105      5.80127991
  H     -5.41321402     -2.35420066      2.81363901
  O     -7.43891528      0.06012776      3.44333560
  H    -11.21934377      0.33664814      6.75609598
  H     -8.29259678     -2.74432472      1.24046353
  O     -5.79563178      0.35567076      7.08589877
  H     -3.84001862      0.38569475      4.33140846
  H     -7.95083875     -1.46516403      0.44007863
  O     -2.44446821      3.54318704      1.43555327
  H     -4.53448787     -0.94885591      4.63626729
  H     -9.86515987      3.00368398      4.19121786
  O     -9.71704678      3.66582283      2.37432792
  H     -3.99329798      3.27488480      0.28760520
  H     -8.85801757      2.54493890      5.26159077
  O    -10.48788938      1.08167641      1.30240359
  H     -4.80211664      2.03183332     -0.10575982
  H     -4.38683332      4.67694444      3.39113174
  O     -5.61714477     -2.06270286      3.71069087
  H     -9.20885670     -0.44598594      3.51002446
  H     -3.83631958      6.10063657      3.59644258
  O     -7.73518171     -2.39867901      0.52594105
  H    -10.45924583     -0.44249438      4.40138994
  H     -4.94003515      2.58324425      3.28408281
  O     -9.80595167      2.63771279      5.07983294
  H     -6.06482950     -2.61664614      0.76483452
  H     -6.18680349      3.32835635      2.74416624
  O     -3.64214716      5.26404119      3.18275296
  H     -4.71200212     -3.33511272      0.52160268
  H     -8.83346466      0.67684093      0.77365022
  O     -5.56465195      3.29637167      3.48358461
  H     -4.19122688      0.90897051      2.00130549
  H     -7.67740485      0.33303914      1.74884498
  O     -7.87957493      0.50883929      0.81343649
  H     -3.12998068      1.99820411      2.30701718
  H     -7.49657476      2.31266995      1.03818301
  O     -7.20915374      3.21845157      1.21661302
  H     -6.79258241     -0.64313662      3.58448764
  H     -6.41563960      3.34242282      0.67420612
          69
 Energy    -247.97453877882123     
  O     11.20641611      9.77103747    -11.83922827
  H     11.63447696     10.38520979    -12.44817037
  H     15.69368072      4.85467049    -16.43542212
  O     13.97227719      6.95178743    -14.75033485
  H     10.66585791      9.19098252    -12.38849114
  H     18.51701642      7.60302192    -15.92497083
  O     17.48840998     11.37915716    -10.77149886
  H     13.27304833      7.57236544    -14.99743125
  H     17.59951613      6.41708197    -15.60352990
  O     18.32850842      9.02403938    -17.25940002
  H     13.78990267      6.66553611    -13.84476561
  H     15.55825071     11.62113832    -15.71132881
  O     12.07143062      8.89997205    -15.17478403
  H     17.63124145     10.47252309    -10.44127754
  H     14.79244448     12.85156876    -16.24579688
  O     15.43053268      7.48966429     -9.15428054
  H     17.83783059     11.97364656    -10.11364592
  H     16.13454854      9.44928850    -14.51909519
  O     13.51280990      6.34759778    -12.09748488
  H     18.93263064      9.12093837    -17.98997889
  H     15.13315742      8.27578210    -14.23329142
  O     14.99788085     10.63643652    -11.85772301
  H     17.49470902      8.67116537    -17.62383318
  H     17.09387109      8.10543559    -12.99554275
  O     15.96868641      8.02096424    -18.02069918
  H     12.37336483      9.65401256    -14.64769526
  H     18.26187220      7.27517971    -13.53100977
  O     16.09204910      5.79879381    -11.38551893
  H     11.25500270      8.58513151    -14.76909060
  H     11.82837883      5.80701902    -12.37488461
  O     17.07780152     10.73589401    -15.46406647
  H     15.15874415      7.25348697     -8.27073763
  H     10.70925885      4.75319080    -12.33460700
  O     15.90855445      5.76775756    -16.26177395
  H     14.66951000      7.92457695     -9.57278877
  H     18.66421710      9.57061155    -13.05859024
  O     18.38845195      6.88221055    -15.29740081
  H     14.39346231      5.99938936    -11.89487842
  H     18.32770369     10.92723196    -12.41654340
  O     14.66999944     11.99221579    -15.84948677
  H     13.43725749      7.18946731    -11.62793799
  H     17.94719245      8.30204533    -10.93565286
  O     15.72713867      8.91516198    -13.82480416
  H     15.29137478     10.02286345    -12.55156144
  H     17.01640523      8.35366765     -9.69988274
  O     17.90710773      7.65712903    -12.71464336
  H     15.78937960     11.02194672    -11.46655204
  H     13.10127529      9.33162868    -16.71732579
  O     10.89536604      5.65190711    -12.59346766
  H     15.18593375      8.55603392    -17.82249258
  H     14.09397112     10.48199815    -16.91103095
  O     18.64249211     10.51753610    -13.23221796
  H     15.87723979      7.19373184    -17.53386510
  H     14.04447010      9.41348126    -10.96298821
  O     17.77542438      8.78187461    -10.11439464
  H     16.79212488      6.26632834    -11.85512210
  H     12.55840746      9.03220305    -10.87811017
  O     13.83199057      9.62787240    -17.27346123
  H     15.98199826      6.25984015    -10.54355423
  H     13.45017617     11.53676543    -14.45522013
  O     13.44304502      8.73528885    -10.62108368
  H     17.67482922     10.79523559    -14.70230815
  H     13.62710669     11.06703690    -13.00559252
  O     12.97404642     11.13623013    -13.71663458
  H     17.53554806     10.22258051    -16.14282315
  H     10.19209973      7.10748981    -13.28600717
  O      9.89515292      7.96029308    -13.64757333
  H     15.18229862      6.12839580    -15.72547015
  H      8.95946838      7.88059217    -13.81371632
          69
 Energy    -247.97448658594413     
  O     15.13232115      9.73444167    -16.51046603
  H     15.29814485      9.18263249    -17.28229143
  H     21.20190119      3.79542093    -15.98066538
  O     13.62477418      3.66608180    -16.36681850
  H     14.42523177      9.30563596    -16.01451408
  H     18.10274069      8.62440575    -16.20413554
  O     18.03025844      5.83031359    -11.87124898
  H     13.74282215      4.61899072    -16.53107944
  H     17.49559468      7.99692086    -17.49561013
  O     19.50997376      5.70920381    -17.83632111
  H     12.77835189      3.42271042    -16.73361912
  H     17.10941664      5.19358683    -15.46934982
  O     17.14839589      5.18386925    -19.38758082
  H     18.86382476      5.88429821    -12.35775987
  H     17.32630525      6.66043026    -15.96347745
  O     13.82199264      6.19300578    -10.07051587
  H     17.46985024      6.53671779    -12.22573525
  H     13.23549596      7.84780652    -14.17189545
  O     14.20880750      4.21006238    -13.63691188
  H     18.80461493      5.44470529    -18.43763485
  H     12.20874810      8.71755726    -14.93082521
  O     16.38783188      7.59446430    -13.18381780
  H     19.25188718      6.58724341    -17.51883781
  H     14.90327387      2.72844933    -10.57533171
  O     17.75500970      3.45672449    -15.40315218
  H     16.76579133      4.50446322    -18.80398199
  H     15.78390023      1.63808166     -9.91643851
  O     13.38765987      3.50618077    -11.03146148
  H     17.15656510      4.81428253    -20.26697966
  H     13.73823394      6.97408389    -16.09146881
  O     16.16495951      3.31871292    -17.67256373
  H     13.53057729      6.61556472     -9.26708810
  H     15.10017410      6.21111525    -16.14782690
  O     20.41318005      4.27882785    -15.75039884
  H     14.74131631      5.90788076     -9.91825253
  H     20.35793770      6.97164682    -13.97547739
  O     18.24999091      7.95732433    -16.89141490
  H     14.01156450      3.90744868    -14.53024701
  H     20.30462396      5.47892262    -14.32311593
  O     16.73660720      6.08257434    -15.46028953
  H     15.12854772      3.98308741    -13.44050289
  H     17.25561522      4.32237371    -12.49932766
  O     13.05889698      8.29296166    -15.01745035
  H     15.46274175      7.46341014    -12.94784455
  H     16.56610830      3.01229089    -12.03555483
  O     15.82257088      2.45355428    -10.40818526
  H     16.53310881      7.05932050    -13.98071628
  H     16.26780838      4.25237856     -9.80892702
  O     14.23138014      6.29960674    -16.57463929
  H     18.70670782      3.61288632    -15.44614020
  H     17.02846089      5.48356356    -10.33874513
  O     20.17177678      6.11089940    -13.60328462
  H     17.50657242      3.32440114    -14.47763814
  H     16.34176745      6.85149331    -18.90812174
  O     16.81117631      3.52210314    -12.81701768
  H     13.50647423      3.66055961    -11.97891411
  H     15.22449753      7.14575387    -17.90814477
  O     16.32977302      5.21159463     -9.72820028
  H     13.36439298      4.38296236    -10.62886215
  H     13.85831387      5.92512222    -13.15063028
  O     15.91101930      7.57664707    -18.43602308
  H     16.76379482      3.23672405    -16.91634122
  H     13.65747026      6.71814661    -11.83532394
  O     13.70811576      6.81416089    -12.79480839
  H     15.27678411      3.30215128    -17.30054476
  H     17.11963377      9.09709272    -14.15755179
  O     17.42620661      9.63250777    -14.89923881
  H     20.14320900      4.77874323    -16.54331226
  H     16.63230386      9.83212119    -15.41830662
          69
 Energy    -247.97447693699456     
  O     15.18263419     10.18265518    -16.19036127
  H     14.36331440     10.32049280    -15.69443406
  H     17.87107613      5.08209568    -12.73746913
  O     16.52727972      4.84091393    -13.83499649
  H     14.97752821      9.70165158    -17.00084290
  H     18.65412799     10.93458590    -16.73587094
  O     17.55229833     13.22102669    -10.64215762
  H     15.62413089      5.17318643    -13.78511369
  H     19.85768146     10.92637800    -17.71004955
  O     19.57861443      8.94802482    -14.75836665
  H     16.86266053      5.13136194    -14.69183394
  H     16.40302259      8.28007568    -13.93205233
  O     14.74547524      6.35403453    -16.66669897
  H     18.28572745     12.66302041    -10.33633373
  H     16.30230917      9.08816897    -15.25949126
  O     17.42320851      9.59741861     -9.03356276
  H     17.75250574     14.11281198    -10.36835388
  H     13.57224270     10.67177127    -13.68933911
  O     15.37887976      7.98027473    -12.45372139
  H     18.61973601      8.79889891    -14.70862422
  H     12.26582402     11.11508695    -14.36849305
  O     17.31235496     11.75060291    -13.06201950
  H     19.71487787      9.43405014    -15.57967666
  H     18.15289458      6.88044726    -11.41612701
  O     19.87993529      6.13011609    -14.73579382
  H     14.66905463      7.07861971    -17.29855651
  H     16.88363160      7.76569605    -11.52698150
  O     13.96833294      6.17191091    -14.05617421
  H     15.68038219      6.11265973    -16.66763466
  H     19.53944705     10.85126916    -10.79872481
  O     17.54299180      6.22068636    -16.16417923
  H     18.18676025     10.16631477     -9.17761887
  H     20.44412462     11.35328815     -9.64847305
  O     18.67136725      5.29603731    -12.22499101
  H     17.53827538      8.85048404     -9.63570117
  H     19.53300297      9.57204867    -13.06538687
  O     19.31107328     10.36058104    -17.17174722
  H     15.02841257      8.88010728    -12.39351850
  H     18.72234892      9.08598747    -11.82629846
  O     16.86477965      8.48693918    -14.75316295
  H     14.75134688      7.42302589    -12.93103941
  H     16.00533984     12.13496442    -10.00159444
  O     13.04998064     10.58949299    -14.50436018
  H     17.94098214     11.05638055    -12.82206540
  H     15.99759348     10.70280042     -9.45573989
  O     17.77527109      7.72706926    -11.14890821
  H     17.34150362     12.39517372    -12.34418478
  H     17.81129393      7.48182359    -17.64374340
  O     19.55555424     11.39641359     -9.99212349
  H     19.96273846      7.09334920    -14.70996136
  H     18.26678356      8.93965553    -17.90069976
  O     19.20873539      9.83876342    -12.19509361
  H     19.61981851      5.85975709    -13.84728017
  H     15.61470721     11.03054848    -12.75751931
  O     15.42121478     11.39024436     -9.82139574
  H     13.09813845      5.78531916    -14.00327470
  H     14.83744553     10.90267618    -11.43454195
  O     17.67842235      8.24411824    -18.21937704
  H     14.16640758      6.28177558    -15.00274935
  H     16.58032318     11.36355863    -16.09028200
  O     14.79610974     10.68417625    -12.37750623
  H     18.43123817      6.04652868    -15.81829760
  H     17.43437913     11.90267508    -14.93135319
  O     17.41942087     11.80271952    -15.89155467
  H     17.22912476      7.00945052    -15.68971795
  H     15.96926440      8.47149380    -18.46694089
  O     14.99831413      8.56131903    -18.46360802
  H     18.94706079      4.48774728    -11.79972353
  H     14.72537212      8.64937326    -19.37250315
          69
 Energy    -247.97443893113817     
  O     14.41125981     11.98277626    -13.95068761
  H     13.59072137     11.75263514    -13.49801622
  H     13.71407683      4.71603734    -16.17972030
  O     15.03588758      6.43834630    -13.75881446
  H     15.11910492     11.61595130    -13.40478937
  H     20.34251664      6.36216665    -15.12692601
  O     18.46296611      8.86912726    -11.76702445
  H     14.47398878      6.59336457    -12.98717599
  H     19.65361413      7.69620100    -14.73904769
  O     18.11056806     10.71973836    -16.36722066
  H     15.20224696      7.30713584    -14.15991611
  H     14.93447575     11.54500679    -15.58426765
  O     12.34502964      7.97179051    -15.89033610
  H     18.16503337      8.01809454    -12.12095356
  H     14.70818149     10.74291271    -16.92736068
  O     15.43108708      8.55063185     -8.72113265
  H     18.46050962      8.77847529    -10.80618898
  H     16.47356531      8.39571914    -15.49044855
  O     13.52246049      7.12863648    -11.56804537
  H     18.53924599     11.42532319    -16.84579022
  H     15.44558561      9.53175182    -15.36352170
  O     16.25783312     10.28413252    -12.61897665
  H     17.16261187     10.93448349    -16.35389597
  H     11.94623230     10.19745061    -12.77096393
  O     15.23793568      7.36550035    -18.07241516
  H     12.70214466      8.58770867    -16.53930308
  H     11.35471964     11.51173820    -12.20596123
  O     14.69688208      5.83825495     -9.36523585
  H     12.81396529      7.14153520    -16.03149297
  H     17.50144720      5.84778777    -11.05372049
  O     17.68932889      7.95658857    -16.81612090
  H     15.08206129      7.65485288     -8.80266067
  H     17.71119086      6.55161943     -9.69758541
  O     14.01428793      5.62142447    -16.17128546
  H     14.94694452      9.08306762     -9.36701806
  H     12.16741390      7.92348017    -12.73015665
  O     19.49013912      6.77241355    -15.00715232
  H     13.74101419      8.04451163    -11.34090092
  H     11.88813635      8.35737175    -14.19579617
  O     15.37401367     11.12067918    -16.33869699
  H     13.80059908      6.59330796    -10.81482263
  H     19.31434663      9.38182486    -13.36738103
  O     15.80367584      8.76473442    -14.90053978
  H     16.10408642      9.73247362    -13.39950810
  H     19.10330670      9.94926713    -14.80416718
  O     12.17589821     11.07844116    -12.42067510
  H     17.06587179      9.93965823    -12.21897972
  H     16.77819301      6.31688537    -13.17864393
  O     17.31200209      5.77518768    -10.10904182
  H     16.14325720      7.50348021    -17.76420413
  H     18.28066952      6.35453516    -13.59533405
  O     11.70575729      8.57458701    -13.26961163
  H     14.85955375      6.68584748    -17.50000378
  H     18.56315273      8.55524492     -8.23417395
  O     19.65529840      9.36554372    -14.27216003
  H     14.49284935      5.10259843     -8.79438881
  H     17.16229989      8.48143270     -8.88721434
  O     17.68198227      6.37976152    -12.83980560
  H     15.62476121      5.73131225     -9.64165115
  H     13.19692043      9.70999633    -18.73613437
  O     18.11228757      8.33041394     -9.04332660
  H     18.33761557      7.44684038    -16.31413271
  H     14.24040184      8.79663761    -18.04870875
  O     13.66651884      9.57342398    -17.91733073
  H     17.97199320      8.88155644    -16.80084177
  H     13.43618811     10.29564983    -11.25654912
  O     14.16532973      9.77588206    -10.89803429
  H     14.38455970      5.78539610    -15.28795272
  H     14.93351417      9.96710985    -11.45633320
          69
 Energy    -247.97434272137730     
  O     14.25759884      9.71021582     -9.77589027
  H     14.39883616      9.17172942     -9.00134862
  H     16.09453239     15.58985519    -17.29541405
  O     11.21657910     11.39030415    -14.72213691
  H     14.80983196     10.50590562     -9.66692760
  H     13.49718330     13.89156271    -10.66734499
  O     15.07984406      8.78748205    -12.36378380
  H     11.11286995     12.18468049    -14.17676331
  H     12.58046616     12.62304084    -10.88501620
  O     18.55926730     13.99442606    -13.06977954
  H     11.41441256     11.70157568    -15.61458966
  H     11.55744545     14.58121517    -14.58001765
  O     11.88141534     11.02731634    -10.47992592
  H     14.50249982      9.22506858    -13.00557147
  H     12.05409183     14.16073607    -15.97839691
  O     13.79248985     10.37079018    -14.26958806
  H     14.78059779      9.06084746    -11.48906279
  H     15.64772001     12.33230671    -12.62380360
  O     15.00498282     14.65525086     -9.87860721
  H     18.29895019     13.65879568    -13.94790770
  H     14.18180967     12.84458746    -12.39348457
  O     10.35737009      9.82760901    -12.63282015
  H     19.46382602     14.28605075    -13.14172261
  H     17.29019815     13.63081275    -16.00486967
  O     14.73018814     14.92609735    -14.48550995
  H     11.44952638     10.54448666    -11.19576772
  H     17.23078141     12.17984549    -15.48499801
  O     14.72745539     12.29684073    -17.40850001
  H     12.63847792     10.49590350    -10.20082498
  H     11.66620947     12.59440141    -17.98133925
  O     10.85119469     13.64146553    -13.11296579
  H     14.16193987     11.16041864    -13.83880654
  H     13.00227537     12.43288557    -17.22243717
  O     16.05911249     14.74896113    -16.84841550
  H     12.88424937     10.60047267    -14.48928265
  H     16.66692219      9.09073974    -12.98733464
  O     12.90545650     13.44504056    -11.28392536
  H     15.03410202     15.36522167     -9.24285961
  H     18.11499539      8.65637408    -13.32587552
  O     12.12149378     14.85746258    -15.31503041
  H     15.47178557     14.97282419    -10.67243025
  H     16.78319478     10.11183374    -15.01577684
  O     14.81766390     12.55409294    -13.06241598
  H     10.16525929      8.92527440    -12.87467042
  H     15.31717282     10.46590685    -15.27130670
  O     17.73534512     13.00046684    -15.42480631
  H     10.61897957     10.28396221    -13.44944991
  H     17.84489018     12.51572853    -12.25540819
  O     12.04531661     12.56903580    -17.10662437
  H     14.81409205     14.05263070    -14.07477837
  H     17.48904209     10.99963755    -12.42537054
  O     17.50955142      9.39090218    -13.37678254
  H     13.80331294     15.02006317    -14.75165425
  H      9.86049643     12.07227787    -10.66860516
  O     16.21049692     10.59375781    -15.62440484
  H     15.28471371     11.65147952    -16.95849193
  H      9.30116947     11.31101238    -11.85072938
  O     17.28925804     11.79917552    -11.92255444
  H     15.18459083     13.14404606    -17.33327538
  H     17.09028887     15.05239109    -12.42338894
  O      9.21660446     12.15003564    -11.37927475
  H     10.12083300     13.29565800    -12.58397617
  H     15.70551698     15.47459386    -12.94533965
  O     16.26214728     15.46823886    -12.15545349
  H     11.60357408     13.70644865    -12.50604540
  H     15.54574631     12.84569940     -9.56839234
  O     15.79931581     11.91658917     -9.60016707
  H     15.58993496     14.89425026    -16.00715959
  H     16.42734490     11.84087968    -10.33343080
          69
 Ord_Energy   -247.974304    
 O    1.63043153       3.36024547      -1.90571284    
 H    1.38455713       2.89868379      -2.71698403    
 H    1.05451691       2.99600101      -1.22223318    
 O    3.37042189       3.26611924       1.89575362    
 H    2.50309539       3.70596409       1.90862226    
 H    3.87881970       3.64893794       2.60686803    
 O    5.11311626       2.29421377      -3.44226241    
 H    5.48654699       1.42220807      -3.26307797    
 H    4.91509867       2.67959595      -2.57993460    
 O    3.24823999       1.86400676      -5.39415884    
 H    3.51579285       2.30402327      -6.19673300    
 H    3.90482068       2.09964275      -4.71473932    
 O   -1.64187908       3.88122439       2.78118610    
 H   -1.64235282       2.92870641       2.93985677    
 H   -2.39351273       4.03995085       2.19775963    
 O  -0.144923463       2.35898733      0.112116747    
 H   0.297681719       2.94457412      0.742587388    
 H  -0.822080731       2.89716959     -0.326725513    
 O    4.11638832       2.99228716     -0.859972060    
 H    3.26276684       3.19377947      -1.27667415    
 H    4.00905132       3.18490887       7.83475712E-02
 O  -0.226121500     -0.367864072     -0.438040972    
 H  -0.118084803      0.589795947     -0.330013603    
 H   -2.03021802E-02 -0.754754901      0.421781838    
 O    1.74296856     -0.468136013      -2.38647914    
 H    2.50835562     -0.214697033      -1.85028303    
 H    1.02014422     -0.606623769      -1.76273179    
 O   -3.85398507       3.88488746      0.870968819    
 H   -3.91032147       2.91433191      0.810513318    
 H   -4.74113655       4.20519686       1.00999260    
 O    2.73365855      0.471708477       1.65851665    
 H    2.94780517       1.39414859       1.83746326    
 H    3.19731212      0.245539293      0.840965629    
 O   -1.43189776       1.08179832       2.34303927    
 H  -0.839103222      0.336907238       2.49611020    
 H   -1.05665112       1.54819870       1.58253098    
 O   0.437338352       5.63177586     -0.635716140    
 H  -0.456577331       5.31084251     -0.825811088    
 H    1.00192881       5.12845850      -1.23427379    
 O   -2.69403934     -0.154881015      -1.62444961    
 H   -1.83349276     -0.351829767      -1.21890664    
 H   -3.01146126     -0.968913794      -2.00854993    
 O   -1.83586538       2.21005917      -3.03763843    
 H   -2.17135382       1.37861955      -2.68286610    
 H  -0.992933273       2.01579452      -3.46636939    
 O    3.97073698      0.217041105     -0.845846117    
 H    4.04769993       1.18283534     -0.863519192    
 H    4.67082119     -0.122905262      -1.41613686    
 O   -3.72746825       1.18289459      0.706932127    
 H   -3.04489374      0.975893319       1.35953903    
 H   -3.48201251      0.721876323     -0.103390761    
 O   0.524010539     -0.965427101       2.20457697    
 H   0.760000944      -1.72394383       2.73087096    
 H    1.34134698     -0.450458109       2.06865215    
 O    3.56881285     -0.855741382      -4.50491714    
 H    3.43904805      -1.99424494E-02  -4.97047043    
 H    2.84916520     -0.907688618      -3.86103296    
 O   0.836368799       1.65718055      -3.95507503    
 H    1.10020363      0.890222073      -3.42511034    
 H    1.54725015       1.78920221      -4.59520245    
 O    5.74591541     -0.467516243      -2.91855836    
 H    6.48096323      -1.03990591      -3.11910796    
 H    5.02812529     -0.701031864      -3.53451538    
 O   -1.88212168       4.12956047      -1.10239458    
 H   -2.67168856       4.10972118     -0.548541129    
 H   -2.00323367       3.54701900      -1.86842644    
 O   0.876628578       4.35643768       1.75347281    
 H   0.762389183       4.95170832      0.995518804    
 H    3.61567698E-02   4.32022095       2.23304152    
          69
 Energy    -247.97428545705452     
  O     17.52143952      9.48949005    -10.56786086
  H     17.47367553     10.40392188    -10.26502304
  H     13.61602767      9.44663309    -10.75471841
  O     13.56730601      5.16143516     -8.37467145
  H     16.96707361      8.96218626     -9.97153362
  H     18.77903209      3.68922932    -12.35785601
  O     17.19241439     11.98930064     -9.38743267
  H     12.96700824      5.72684947     -8.87335334
  H     18.61278805      4.78003779    -11.27815551
  O     11.98855793      6.89066420    -10.03034158
  H     14.36335112      5.08038091     -8.91753866
  H     16.81491097      5.31370665     -9.74096257
  O     16.51862560      8.68831010    -12.98908411
  H     17.20290597     12.91648771     -9.60667686
  H     15.81525996      5.50871194    -10.90607326
  O     19.78481891      7.94609568    -10.28313642
  H     16.31386404     11.79540058     -9.01166779
  H     20.10494225      7.34959239    -12.03000691
  O     20.28602539      8.61519263     -7.58917171
  H     12.41895522      6.71818731    -10.88713907
  H     19.60004810      6.11234670    -12.79568764
  O     18.63717088      5.48231602     -9.61144173
  H     11.05955770      6.70931497    -10.14880648
  H     16.06066959      9.17432303     -5.94719655
  O     13.29072203      6.68107601    -12.40636095
  H     16.91589118      9.00198736    -12.16341499
  H     15.73745140     10.32066345     -4.96123548
  O     14.85063227     11.25243941     -8.25624306
  H     17.20869071      8.70536353    -13.66801982
  H     19.16291657      8.72184029    -15.45220492
  O     13.94245348      9.45825065    -12.61039067
  H     19.03850712      8.54218186    -10.44423973
  H     19.20814464      8.00087908    -14.09259653
  O     13.47025433      9.28315881     -9.81298846
  H     20.10934849      8.16212444     -9.40013917
  H     14.97133567      8.41157110     -9.27895280
  O     18.53507204      4.60302387    -12.23066983
  H     19.64244580      9.33149065     -7.44571612
  H     15.76655100      7.07121403     -9.38886753
  O     15.87278342      5.37060677     -9.95110331
  H     21.07948799      8.86468599     -7.12250082
  H     18.16346654     11.14482222     -7.95880323
  O     20.02271419      6.97055905    -12.91560117
  H     19.01979159      6.31517030     -9.92252953
  H     17.68184625     10.46927122     -6.66846803
  O     15.98837742     10.14113555     -5.86356718
  H     18.66846423      5.54710774     -8.64548281
  H     14.18211017      4.86515881     -5.28519511
  O     18.65002999      8.55326694    -14.66732109
  H     13.42009892      7.61878803    -12.59801837
  H     13.97985423      5.45379972     -6.69147109
  O     15.80840831      7.98056792     -9.06299761
  H     14.13790224      6.25896040    -12.59349109
  H     16.86180413      5.44073396    -12.70275114
  O     18.46185809     10.60040175     -7.22116613
  H     15.10648395     10.84596744     -7.41811501
  H     16.24836722      6.86157595    -12.81246928
  O     14.29770178      5.66196334     -5.79574704
  H     14.26118738     10.63582628     -8.70720620
  H     17.89314066      6.62281027     -6.66232891
  O     16.03029575      5.92907439    -12.67214665
  H     13.67033090     10.10051809    -13.26081983
  H     19.30895737      7.02676324     -7.10358830
  O     18.72649653      6.26474856     -6.99440511
  H     14.86995016      9.23701678    -12.80539586
  H     16.10226644      7.66163622     -7.32546642
  O     16.23966288      7.49418207     -6.38068548
  H     12.85722356      8.53809258     -9.75840857
  H     15.57063852      6.85271498     -6.09920315
          69
 Ord_Energy   -247.974091    
 O   -4.93270493      -1.31658781       4.89901686    
 H   -5.62465572      -1.88658035       4.57236195    
 H   -5.35746098     -0.480215728       5.15837669    
 O   -3.32655072       1.72936046       6.73385477    
 H   -3.44184518       1.64244068       7.68545723    
 H   -4.17436695       1.50015759       6.33131266    
 O   -6.90236807       1.24239051       8.27184391    
 H   -6.62042809       2.08645558       8.64334869    
 H   -6.45714474      0.556590021       8.78873158    
 O   -2.98603272      0.139497221       3.39407468    
 H   -3.63538241     -0.455001801       3.78732967    
 H   -2.22788525      0.119048387       3.99348593    
 O   -3.66909504       2.81075144       3.23011613    
 H   -3.44348288       1.86862409       3.20909929    
 H   -2.84037113       3.29389000       3.30821943    
 O   -1.16592860     -0.820856512       7.97369003    
 H   -1.01031280     -0.591411531       7.04634714    
 H   -1.03482890       5.42618986E-03   8.45562363    
 O   -3.89506006      -1.78161705       11.7614517    
 H   -3.04170060      -1.91277039       11.3087835    
 H   -4.08054209      -2.58512044       12.2393923    
 O   -5.15611315     -0.546618879       9.57185841    
 H   -4.75646734      -1.00911033       8.81509495    
 H   -4.89506865      -1.03134394       10.3625946    
 O  -0.925438344       1.64379668       9.43346977    
 H  -0.594530821       1.29493284       10.2714663    
 H   -1.88402569       1.74174547       9.52971745    
 O   -5.66114712       3.67535830       9.21006203    
 H   -5.48564816       4.11008072       8.35621929    
 H   -6.08609915       4.32273149       9.76623249    
 O   -3.69501233       1.76345813       9.61781979    
 H   -4.32631874       2.49207640       9.54283047    
 H   -4.19662857      0.932487607       9.60443878    
 O   -1.16318083      0.387773007       5.51180935    
 H   -1.92222703      0.843578339       5.90568018    
 H  -0.490633309       1.06374478       5.34725666    
 O   -3.85201144      -1.68782675       7.52295017    
 H   -4.10419083      -1.63788295       6.59396315    
 H   -2.92007613      -1.44544506       7.58642149    
 O   -1.35183287       4.36264896       3.90269184    
 H   -1.74103963       4.44868279       4.78950882    
 H   -1.21112251       5.24810362       3.57591391    
 O    2.93424092E-02   3.68897676       7.86436987    
 H  -0.252425432       2.94738936       8.42550755    
 H   0.692992926       4.16672230       8.35580921    
 O   -3.04338217      0.864382029       12.3257303    
 H   -3.35322237       1.32240427       11.5365810    
 H   -3.42607927      -2.28877701E-02   12.2791634    
 O   -5.94071054       3.55681849       4.42259550    
 H   -6.54821014       3.88840342       3.76727843    
 H   -5.12029743       3.31582665       3.95123267    
 O  -0.382018298      0.460805684       11.9048901    
 H   -1.30065465      0.637452960       12.1771679    
 H   0.160965979      0.545099258       12.6836910    
 O   -5.08151102       4.81052732       6.82977676    
 H   -5.43717957       4.44787169       6.00863218    
 H   -4.12178612       4.82948351       6.71868896    
 O   -5.88444185       1.09354830       5.74706411    
 H   -6.04288816       1.91669142       5.26955175    
 H   -6.34335756       1.13725042       6.60003996    
 O   -2.34441376       4.29234457       6.47434378    
 H   -1.54378808       4.24526644       7.01112843    
 H   -2.71899533       3.39648271       6.47645617    
 O   0.491284221       2.57962728       5.21417427    
 H   -1.40890405E-02   3.17031646       4.64150810    
 H   0.451695710       2.96861935       6.09599447    
 O   -1.44881296      -1.88494873       10.5831223    
 H   -1.32367611      -1.71968186       9.63957787    
 H  -0.928568780      -1.21391690       11.0405397    
          69
 Energy    -247.97408681768889     
  O     12.00197796      8.07559950    -10.85702603
  H     12.75247480      8.54329215    -10.46226396
  H     14.80425273      6.25181080    -15.50141221
  O     15.96832264      5.55214327    -12.22275453
  H     12.06505335      8.22325184    -11.80878944
  H     18.37611087      8.58580310    -13.12676784
  O     13.90556250     11.72643325    -13.02594802
  H     16.62868060      5.43576600    -12.91607053
  H     18.54263956      7.06344513    -13.27010961
  O     16.51150421     12.19055287    -12.34450428
  H     15.20194594      5.00500320    -12.43659675
  H     15.79171948      8.28436292    -15.96152681
  O     12.37147811      6.77691513    -17.38173790
  H     13.24900269     11.36192510    -12.43425400
  H     16.43037218      9.54932840    -15.33545392
  O     15.89103468      6.61355538     -9.63522258
  H     13.68991973     11.38089790    -13.90467080
  H     15.02914699      8.57505180    -11.62047946
  O     13.16023915      5.99453789    -14.78209776
  H     16.69565283     13.12485381    -12.39511952
  H     15.52485330      7.33736811    -12.42383280
  O     13.38520105     10.41130824    -15.44988034
  H     15.57174614     12.07767821    -12.57235886
  H     13.93122135      5.84967274     -9.82643712
  O     14.84095629      9.12457018    -18.66345368
  H     13.14990046      6.51782827    -17.88930125
  H     12.63826852      6.42426947    -10.45316945
  O     17.75921103      5.65239771    -14.36858288
  H     12.50239511      6.41333214    -16.49636249
  H     13.29109316      4.70275126    -11.76835590
  O     17.16231830      9.84658903    -13.70724818
  H     15.94796555      6.12540054    -10.46962034
  H     13.22791805      3.33792621    -12.49492185
  O     15.64923119      6.42076810    -15.94329370
  H     16.71025497      7.12541664     -9.60388035
  H     16.72143963     11.18352703    -10.71291579
  O     18.77703643      7.81001083    -12.70912309
  H     13.18082485      5.32326557    -14.09024031
  H     17.28822096      9.91287023    -10.01750122
  O     15.84900713      9.24527056    -16.04529546
  H     12.91101585      6.82902025    -14.35674328
  H     19.05468660      8.17027736     -9.57727405
  O     15.26456844      8.26348053    -12.50568604
  H     12.85009259     10.23471129    -16.23318786
  H     18.44747072      8.03027848    -10.98924386
  O     13.13937877      5.60581642    -10.31362267
  H     14.26207757     10.04348193    -15.63604045
  H     15.14477275      9.70189697     -9.81039742
  O     13.50227243      4.24436866    -12.60349016
  H     15.31618582      9.32394802    -17.84436583
  H     14.87807106      8.17943639     -9.65690499
  O     16.66064385     10.64012641     -9.91866735
  H     13.92333764      9.37472908    -18.49940974
  H     14.94554091      7.38297361    -18.76329126
  O     18.23188564      8.21469511    -10.05884462
  H     18.31611283      5.04089543    -14.84392699
  H     15.18152922      6.03603624    -19.49038834
  O     14.47390387      9.01415656     -9.93432207
  H     17.05884573      5.93058424    -14.98291673
  H     11.31499092      9.65960035    -18.24081595
  O     14.93594030      6.41481848    -18.65111879
  H     17.09054321     10.72188613    -13.30869792
  H     12.12672429      8.50306461    -17.61092031
  O     12.12065871      9.46397368    -17.77001983
  H     16.48024203      9.29880723    -13.28313127
  H     13.64632918      8.38351284    -13.20935768
  O     12.75322660      8.43235637    -13.58709181
  H     15.49786906      6.31397467    -16.89162956
  H     12.79396703      9.12638775    -14.25557067
          69
 Energy    -247.97382053266682     
  O     12.28965559     11.96595043    -11.19803508
  H     11.82220087     11.13374516    -11.33778630
  H     18.39210759     12.49634525    -13.99995516
  O     19.70592240      7.45885266    -10.82064971
  H     12.88214779     11.79902252    -10.45508015
  H     12.37883632      9.05624580    -17.01704426
  O     17.57331939     10.61555918    -11.61933424
  H     18.74139824      7.55784589    -10.82840665
  H     12.54927314      8.98332775    -15.48197741
  O     12.10300720      8.19928687    -14.01339513
  H     19.89280474      6.77443475    -10.18251897
  H     16.00095411     10.57680476    -12.57021011
  O     16.60465088      6.85744233    -13.63720907
  H     18.21897227     10.70491125    -12.33311887
  H     14.67082463     11.18993260    -13.11889628
  O     13.93614053      6.58993784    -12.62458237
  H     17.50304905      9.67766029    -11.40310387
  H     13.64098789     11.14271044    -16.14724701
  O     13.78967284     12.75272030    -13.36500539
  H     12.71767728      7.54107624    -13.65843811
  H     13.89560572     12.30922827    -15.15958726
  O     17.84412331      9.81107599    -15.95015345
  H     11.71973385      8.63098994    -13.24334593
  H     20.50994110      8.20971857    -12.21281366
  O     16.98737529      7.91037981    -11.12611567
  H     17.49072249      6.84068854    -14.02552601
  H     21.81879894      8.47110594    -12.99305435
  O     16.72336619     12.29655408    -16.71535016
  H     16.09603967      7.45196144    -14.20929573
  H     16.63201538     13.92420355    -13.09578248
  O     19.02471658      7.38689342    -14.87823182
  H     14.82624565      6.44358183    -12.96873490
  H     16.10334990     15.25629670    -12.51367169
  O     17.72574747     13.16345214    -14.20201921
  H     14.04290457      7.19490648    -11.88236566
  H     16.07845111     13.25259694    -10.92919461
  O     12.90461785      9.38817991    -16.29453006
  H     14.45293539     13.38512814    -13.06012286
  H     16.78924581     11.91934019    -10.63796531
  O     15.14254500     10.36256050    -12.95879622
  H     13.17867415     12.58411926    -12.63223208
  H     14.90870434     11.68248556     -9.52678904
  O     14.12466361     11.96943440    -16.03530578
  H     17.59311611     10.64897474    -16.35803705
  H     14.11418007     11.33647429     -8.24534920
  O     20.87526153      8.60879488    -13.02051806
  H     17.00239711      9.38870483    -15.72174964
  H     18.79369235     10.43598397    -14.53412027
  O     15.96691637     14.31272671    -12.49869080
  H     16.10735831      8.11722345    -10.79800075
  H     19.93924325     10.15266016    -13.52856450
  O     16.17717381     12.56684522    -10.25865887
  H     16.87203190      7.51734645    -12.00695531
  H     10.91118847      8.67985681    -10.86097737
  O     14.18357649     11.13372664     -9.17414070
  H     15.78234765     12.16816515    -16.49700751
  H     12.38812165      9.01836967    -11.14661890
  O     19.27280670     10.80490734    -13.77656608
  H     16.74919501     12.79875231    -17.52541157
  H     14.49911217      9.35348121    -11.64385250
  O     11.47688152      9.22698405    -11.40232861
  H     18.74872821      8.13773367    -15.41866436
  H     14.24286391      9.55812335    -10.13216204
  O     14.24755795      8.88655066    -10.82856461
  H     19.72370748      7.72172755    -14.30480091
  H     15.28179124      9.37006496    -14.40928104
  O     15.40336621      8.78916641    -15.17743765
  H     17.38686420     12.94075547    -15.07856437
  H     14.60747924      8.88094379    -15.71148574
          69
 Energy    -247.97372309252393     
  O     18.26091512      7.47306648    -15.48046336
  H     18.09138037      8.13810197    -16.16745491
  H     18.57878097     10.08895189    -17.20125617
  O     15.37720749     10.91892249    -14.71616504
  H     18.10118241      6.62719013    -15.89067229
  H     16.94592882     11.84039032    -10.42388956
  O     20.65526032     11.48214706    -10.85114276
  H     15.31408676     11.04359209    -15.66873042
  H     15.83974809     11.43158809    -11.40794953
  O     20.85419805     13.79379881    -12.41543238
  H     16.32856919     10.86057334    -14.52724389
  H     18.94086061     16.32176700    -16.04995887
  O     15.03192502      9.89517114    -12.18474287
  H     20.80844040     12.36340153    -11.21646974
  H     17.89701563     16.05747235    -14.95151233
  O     18.33169378     10.92632030     -9.57571430
  H     21.05235744     10.87058471    -11.48232374
  H     20.81569666     11.96354900    -15.27391298
  O     19.31683648      8.55670366    -13.19856082
  H     20.90961496     14.71579665    -12.69516353
  H     21.66494360     11.36335847    -14.12479479
  O     15.77409798     11.45925116    -17.47905707
  H     21.09912093     13.25765238    -13.18545294
  H     16.61401529      9.01220427    -11.54196508
  O     17.52911934     13.57745819    -17.10829947
  H     15.05954417     10.14760378    -13.12201897
  H     17.75559030      9.40535393    -10.58228242
  O     20.89587314     16.32756479    -13.62274256
  H     14.13310892      9.63190344    -12.00084840
  H     20.39213349     15.07786553    -17.04137380
  O     19.40440107     11.60013670    -16.34087391
  H     18.51411116     10.87700227     -8.64094596
  H     20.00750227     15.77047119    -18.36822123
  O     17.87771757      9.44759370    -17.37573066
  H     19.17812776     11.12652980    -10.01384739
  H     17.34791104     14.19168501    -14.06278601
  O     16.30806066     12.20006676    -11.05602008
  H     18.69142039      8.46809294    -12.46347753
  H     15.86222109     14.39517723    -14.34080260
  O     18.67405084     16.59221421    -15.16332927
  H     18.96462773      8.08911891    -13.97090449
  H     21.55024349     15.30142321    -15.12174388
  O     21.49225282     12.17696174    -14.61384512
  H     16.37324156     12.22218619    -17.42164928
  H     21.77040617     13.82940848    -15.51796074
  O     17.47041409      8.72387920    -11.20366246
  H     15.19131586     11.62912095    -18.21536834
  H     22.40096820      9.23433610    -12.91605225
  O     19.63877721     15.35721114    -17.59199736
  H     17.19521510     13.93866363    -16.27256362
  H     20.86643403      9.33123463    -13.08031572
  O     16.73636749     14.62550197    -14.67848820
  H     18.19201650     14.20223116    -17.42856591
  H     18.16686009     11.65289729    -13.58674264
  O     21.65904371     14.71646996    -15.88180647
  H     21.20704546     17.18829018    -13.35561974
  H     18.46341990     10.10494451    -13.69665307
  O     21.68021465      9.85606144    -12.97862938
  H     20.06287166     16.46907888    -14.10726368
  H     14.81660983     12.52618209    -13.85205394
  O     18.02789102     10.85536135    -14.11661141
  H     18.91124087     11.26251390    -15.57456081
  H     15.04696259     13.19042283    -12.48835390
  O     14.65959402     13.34175663    -13.35614171
  H     18.87015946     12.32667462    -16.68367135
  H     17.59595075     13.00028027    -12.08227573
  O     18.17371135     13.25184538    -12.81563385
  H     17.08057190      9.97957109    -17.47504583
  H     19.05899126     13.46794625    -12.50054769
          69
 Energy    -247.97359217295292     
  O     10.07743717     12.51490811    -10.70021682
  H     10.65804431     13.18955807    -10.31743218
  H     12.43099727     10.63018694    -10.31467536
  O     12.86803418      9.75543491    -17.47086243
  H     10.19055898     12.58698573    -11.65580737
  H     12.50980840     13.22325671    -12.74971585
  O     11.55756738      8.05666399    -11.41685719
  H     11.95823631      9.81955571    -17.12718321
  H     13.61424799     12.57875443    -11.87861636
  O     13.97183800      9.79144280    -14.89672351
  H     12.82948345      9.22362931    -18.26068341
  H     15.02007714      9.41264860    -13.44993739
  O     13.58983130     13.09202369     -7.60630569
  H     10.86284774      7.45124518    -11.17044310
  H     16.20446041     10.15794192    -12.79616120
  O     13.08673029     12.59207461    -16.98113890
  H     11.47263173      8.83651352    -10.83778797
  H     14.84977663      8.20185211    -11.42310655
  O     11.46999244      9.76386038    -13.67289090
  H     14.20627491     10.73042246    -14.84592393
  H     13.41426335      7.76050810    -11.04497139
  O     14.80672977      8.36982000     -8.15474561
  H     13.70765432      9.62635530    -15.81016769
  H     18.03246812     11.90391291    -13.50698428
  O     14.03486750     11.13863238    -10.93408247
  H     13.32020552     12.15967332     -7.52386401
  H     16.87161989     12.48044686    -12.66138022
  O     12.90765909     10.46759455     -7.56596611
  H     13.43470068     13.50040926     -6.75865926
  H     10.73733641     12.77044353    -14.30507529
  O     16.19657497     13.71719896    -11.64214203
  H     13.11991622     11.67581594    -17.28253055
  H     11.12072952     11.54665804    -13.43561425
  O     11.56137158     10.34172706     -9.99647774
  H     13.74384777     12.66784900    -16.27701415
  H     15.10835278     12.77774728     -8.57351107
  O     13.39448865     13.37697565    -12.38617807
  H     12.35923117      9.72501392    -14.05278314
  H     16.25494474     11.73783387     -8.80129648
  O     15.53474493      9.48186950    -12.63260939
  H     11.44425633      9.12886752    -12.94873669
  H     14.26105578     12.86134068    -13.95743458
  O     14.33309217      7.73998573    -10.75058957
  H     14.71513158      7.56333355     -7.65344413
  H     15.63605656     12.27988990    -14.36400007
  O     17.11579176     11.76953730    -13.28156368
  H     14.64111822      8.13840574     -9.08576103
  H     10.09531410     13.68396769    -16.63728867
  O     10.98387537     12.50508949    -13.41126010
  H     14.65190724     11.52874509    -10.30008462
  H     11.43930976     12.93238717    -16.47584449
  O     15.77106657     12.47168861     -9.20691638
  H     14.52783053     10.51366472    -11.47945001
  H     16.21887180      9.53056505     -8.13665341
  O     14.74459148     12.45535142    -14.68946420
  H     13.55815312      9.76676218     -7.68481695
  H     17.74122624      9.74046515     -8.08359127
  O     10.52400912     12.98729699    -16.14771378
  H     12.28817470     10.37556406     -8.30385199
  H     12.64166565     13.87220448     -9.10247044
  O     16.91324108     10.20578061     -8.17283480
  H     15.28916142     13.91025936    -11.90162286
  H     12.65747190     14.12126900    -10.62930047
  O     12.11949534     14.21717874     -9.83670483
  H     16.14840933     13.38547604    -10.73279549
  H     10.62698841      9.88969755    -15.36013165
  O     10.45263569     10.12255805    -16.28234789
  H     10.93610448     11.05592984    -10.18924636
  H     10.29462342     11.07505606    -16.28540839
          69
 Energy    -247.97348919733651     
  O    -10.12481666      1.42540798      3.17161521
  H    -10.35437962      2.33431740      2.92886572
  H    -11.45925892      4.28276342      2.74551312
  O     -6.07441956      0.93991937      5.87976159
  H    -10.52582304      1.23476425      4.02882813
  H    -10.53339653      1.54127780      6.35098581
  O     -7.10346215     -1.17760307      4.38438174
  H     -6.62629922      0.83105630      6.66751748
  H    -10.51329541      0.07676784      5.84041948
  O     -7.83198573      4.13785926      6.06611514
  H     -6.63178798      1.36844870      5.21027590
  H    -10.66475701      6.18393370      4.98668313
  O    -13.07985941      2.78746879      5.63387418
  H     -6.58546191     -0.59232835      4.95515098
  H    -12.12001088      5.73808118      4.74731573
  O     -7.66021634      2.31091736      4.06038203
  H     -6.86840626     -0.92558125      3.48590868
  H    -13.13966406      3.87252677      4.27037949
  O     -7.99886568      0.52427746      7.81266359
  H     -7.79319570      3.45518871      5.37537818
  H    -13.95832135      4.64571242      3.20794139
  O     -9.75384697      2.75139643      7.49038454
  H     -6.93484380      4.47347317      6.16322236
  H     -9.19644843      0.75055242      1.70775745
  O    -11.92189088      4.54452761      7.59209930
  H    -12.49384768      2.01934919      5.63519692
  H     -8.61025655      1.59799465      0.57626666
  O     -6.19993467      6.23818134      3.45232073
  H    -12.81128608      3.32191510      6.39155706
  H     -7.05806246      0.09339079      1.44977044
  O     -4.47425762      1.86574304      2.16682308
  H     -7.29511569      2.80702898      3.31723087
  H     -6.03299660     -1.04031250      1.22155035
  O    -10.54470028      4.09913138      2.49579416
  H     -8.48674452      1.91097532      3.76150153
  H     -8.17934873      6.12616922      3.78093111
  O    -10.97845975      0.91906562      5.75728974
  H     -8.47596002     -0.16562649      7.33541652
  H     -8.69771153      5.23680071      4.91071565
  O    -11.53083950      6.12419451      5.40828579
  H     -8.61137682      1.26698698      7.88769185
  H     -6.29094764      4.66902701      2.42551572
  O    -13.08707753      4.56389889      3.58573884
  H    -10.49008280      3.35102483      7.66315061
  H     -5.69334698      3.28526753      1.98772147
  O     -8.56242766      0.71955759      0.97900750
  H     -9.06141084      3.28496623      7.07440886
  H     -8.57646044     -1.30922632      5.35459529
  O     -6.20734436     -0.27133026      1.75880633
  H    -11.75024429      5.16832998      6.86420217
  H     -9.49327258     -2.24215606      6.17405262
  O     -8.99157159      5.78923256      4.17082037
  H    -12.34541971      5.04184374      8.28662661
  H     -4.74212804      2.04296272      5.37510779
  O     -6.49499002      3.82311022      2.00894497
  H     -5.80612352      5.91105396      4.27727494
  H     -4.20781295      2.43775417      3.98776374
  O     -9.31069964     -1.32363676      5.99284395
  H     -5.74049754      7.04388543      3.22715552
  H     -7.93119974      3.64387906      0.81847814
  O     -4.23110512      2.72184797      4.90786250
  H     -5.06743895      1.10306617      2.06485495
  H     -9.46024775      3.71570085      0.93506335
  O     -8.74859640      3.42730672      0.34963284
  H     -3.72347043      1.70281492      1.60045189
  H     -4.77609286      4.24960579      5.45328727
  O     -5.15122842      5.09509905      5.76292781
  H     -9.98926199      4.68293976      3.02892969
  H     -4.59728639      5.39601725      6.47818250
          69
 Energy    -247.97345041220649     
  O     15.05461533     12.12480810    -16.87945330
  H     14.74180461     12.69240030    -17.57923128
  H     15.92560597      6.43012688    -13.96016260
  O     16.49398299      7.65913419    -12.79386385
  H     14.27735986     11.90722661    -16.33450653
  H     16.10185832      7.98979150    -17.17998518
  O     16.94628643     12.90765346    -14.87906004
  H     16.26053478      7.83081161    -11.87555040
  H     16.67495220      6.59701269    -17.56275504
  O     20.06010458      7.96084044    -18.05484377
  H     16.07292563      8.35335672    -13.32658574
  H     14.45991179      9.24894220    -14.72495227
  O     13.22149349      7.32438829    -17.78851997
  H     16.44999131     12.65744701    -14.08673954
  H     15.86128034      9.56890472    -15.28553762
  O     17.13161618     10.65287204    -10.91289802
  H     16.34398833     12.75273129    -15.61506994
  H     13.16800085      8.07812980    -12.29725848
  O     13.05100110      6.57895780    -13.54260342
  H     19.78236428      8.62441999    -17.40314067
  H     14.00677409      8.77068090    -11.20221434
  O     12.67437162     11.45727531    -12.51073761
  H     21.00089600      8.07794582    -18.16203771
  H     19.42258284      9.35723547    -12.94630690
  O     18.40118926      5.35211879    -15.21571061
  H     14.16677938      7.13406873    -17.67446713
  H     19.47345268     10.87540019    -13.18884965
  O     15.63082961      8.53333808    -10.27558228
  H     13.05098898      7.27422211    -18.72530794
  H     12.88791899      8.23887215    -16.29169299
  O     18.31110904      5.86743575    -18.04322522
  H     16.57487370     11.16201288    -11.51647934
  H     12.72197214      7.95885419    -14.77826171
  O     15.51470113      5.86338335    -14.63280899
  H     17.96466203     10.49793198    -11.38053073
  H     19.35691535     10.51699639    -15.69639947
  O     15.89808464      7.04272972    -17.20480063
  H     12.50160377      5.81581290    -13.38027912
  H     19.06621834      9.01703369    -15.38253169
  O     15.36184124      9.47697753    -14.46517973
  H     13.87835918      6.24537808    -13.92645612
  H     18.95779333      6.94916340    -14.45599333
  O     13.23660020      8.88428664    -11.77430135
  H     11.98245684     11.78626553    -11.94346699
  H     18.13103793      7.83205583    -13.51860228
  O     19.38427628     10.20964810    -12.49691086
  H     12.82603867     10.52989432    -12.25410700
  H     20.08398329     12.80616010    -14.70490635
  O     12.82571748      8.66662860    -15.42498057
  H     18.42392924      5.41603807    -16.17820732
  H     18.59128675     12.40581853    -14.78058334
  O     19.13562714      9.66796920    -16.09892671
  H     17.47078452      5.26053886    -14.98289174
  H     17.44889937      9.83232529    -16.75130122
  O     18.93456630      7.83035030    -14.05911174
  H     16.18702091      9.32112295    -10.42728329
  H     16.09351927     10.58041440    -17.06701191
  O     19.49854984     12.05429237    -14.72740628
  H     15.79151352      8.25047611     -9.38017206
  H     14.51318787     11.86474970    -12.62019913
  O     16.51544744      9.71640919    -16.97886885
  H     18.95080743      6.59853352    -18.09471777
  H     15.45804374     10.96133770    -13.42254081
  O     15.43945892     11.75277301    -12.86207629
  H     18.53146533      5.25772132    -18.74257160
  H     12.68837577     10.50196870    -15.50638500
  O     12.86248738     11.44690664    -15.39048675
  H     15.61515868      6.30467677    -15.48772270
  H     12.75947991     11.59969661    -14.44400012
          69
 Energy    -247.97337103685177     
  O     -2.74638549      4.51936291      4.57566286
  H     -3.19956275      5.29168971      4.90192710
  H     -1.15883155     -3.79534898      1.52162691
  O     -2.87409158      3.03924673      2.17463792
  H     -1.88670497      4.82017974      4.22546323
  H      0.03262745     -0.99381658      2.21343285
  O     -1.40090457      2.26820892      5.70080513
  H     -3.00439656      3.59813531      2.94951061
  H     -1.12681392      0.03139425      2.43830483
  O      1.92917404     -2.45036720      0.35232584
  H     -1.97106634      3.20015163      1.86097743
  H     -3.78861929     -1.42060452      1.61030039
  O      0.11482426      0.65913561     -1.89027413
  H     -1.99921962      2.98363753      5.45409206
  H     -3.20977457     -0.94228944      2.94780297
  O     -1.49879632     -1.20480405     -0.56092769
  H     -0.51032681      2.64076119      5.63852016
  H      1.15214162     -2.01407038      3.86567292
  O     -2.40387443      0.68203617      3.53796726
  H      1.78751058     -2.43463038      1.30948170
  H      0.19188826     -2.86762000      2.94780021
  O     -4.19643019     -0.64978950     -0.13366993
  H      1.20908896     -2.98918999      0.00499249
  H     -0.80883509     -4.31106285     -1.07526297
  O     -1.16614370      2.99397774     -1.46246269
  H     -0.46425898     -0.03785363     -1.55264797
  H     -0.91679275     -2.87202431     -0.52002157
  O      2.61872754     -0.05165142     -0.70798311
  H      1.00007686      0.44785581     -1.57148519
  H      1.58752363      2.72761600      4.93997563
  O     -0.95180955     -0.33975430      6.51914828
  H     -2.45413017     -1.07557247     -0.51964826
  H      1.73201263      3.79615283      6.05102208
  O     -1.33937590     -3.59438649      2.44720176
  H     -1.13677028     -0.86842214      0.27437716
  H      0.81850845      0.89130050      1.54644280
  O     -0.45080205     -0.25766844      1.81280915
  H     -2.68761394      1.43171422      2.99505247
  H      2.08592596      1.09696457      0.69816748
  O     -3.45743964     -1.73710368      2.45883254
  H     -1.99724625      1.07631155      4.31752719
  H      2.00474966     -1.41183775      6.13887282
  O      0.99641543     -2.32251439      2.96674346
  H     -5.03043134     -0.81232526     -0.56583896
  H      0.60380650     -0.83462322      5.84013748
  O     -0.53269116     -3.75051388     -0.35487764
  H     -4.03068580      0.30829675     -0.19880297
  H      2.03296349      0.50479176      4.48312935
  O      1.12813611      3.45589439      5.39665629
  H     -0.67692969      2.17196646     -1.64834259
  H      2.11511389      1.37341503      3.18941821
  O      1.57971805      1.48261978      1.42198160
  H     -1.13479789      3.51800961     -2.25840525
  H     -0.21343399      4.65831714      2.66732595
  O      1.45444543     -1.07407027      5.43600874
  H      3.47159881     -0.13789069     -1.12497920
  H      0.29505684      4.58024732      4.12740668
  O      2.25018695      1.38112287      4.14649453
  H      2.39828534     -0.92783566     -0.34269464
  H     -3.51464842      2.39300290      0.57727488
  O     -0.30727375      5.05795352      3.54237783
  H     -1.77912439     -0.80354587      6.40106378
  H     -2.82863423      2.29868841     -0.79299792
  O     -3.58673001      1.97577100     -0.29206158
  H     -1.14969199      0.59990677      6.38625595
  H     -0.56900809      3.47072580      0.23850269
  O     -0.30038545      3.52627312      1.16470674
  H     -2.11137862     -3.00985554      2.45869496
  H      0.42110788      2.89120025      1.27330395
          69
 Energy    -247.97333639386812     
  O     -4.88127831     -1.21442249      0.96463251
  H     -5.64418991     -0.83619725      0.53628929
  H      3.54373059      0.44632820      3.34682668
  O     -2.77982810     -2.75392096      7.57860320
  H     -4.09742902     -0.87851730      0.49293587
  H     -0.59026842     -1.81124355      2.71153343
  O      0.16203877      1.06208293      2.65290328
  H     -3.47147121     -2.23395605      7.13398794
  H      0.72760589     -2.15412588      1.93434273
  O     -3.99195062     -1.83408192      3.54181311
  H     -2.97539190     -2.73387372      8.51171964
  H     -0.53018737     -4.12772251      2.47753389
  O      2.21541783     -2.14581940      5.18013894
  H      1.04294201      0.80576204      2.95132012
  H     -0.46927036     -5.46772357      1.72302861
  O     -2.81897984     -5.13688502      5.93444887
  H     -0.46055071      0.54044148      3.17793643
  H      2.05653349     -1.55272314      0.43627145
  O     -0.48571629     -2.45727155      5.97756971
  H     -4.36360144     -1.55272592      2.69680971
  H      2.65841554     -2.68369610      1.34612723
  O      2.66286571     -4.71390992      4.44302347
  H     -3.79210628     -2.77926211      3.46697723
  H     -2.52147211     -4.76809745      2.95651576
  O     -2.62377421     -0.54733174     -0.34601306
  H      1.32650115     -2.08340845      5.55236108
  H     -3.38678487     -4.79980267      4.22380958
  O      2.66833868     -4.44109247      1.56566587
  H      2.35643957     -1.35790351      4.64292305
  H      0.51783527     -0.41153581     -0.71087430
  O      0.36427434     -5.41162328     -0.00066330
  H     -2.88116812     -4.40202663      6.55560890
  H      0.24327710     -1.89539451     -1.02580900
  O      2.70383297     -0.00582047      3.35491086
  H     -1.87421106     -5.30926357      5.83256516
  H     -2.34637405     -1.07223251      3.80858687
  O     -0.17696252     -2.43988054      2.10741825
  H     -1.19481776     -2.48122396      6.63177957
  H     -1.10244580     -1.32375056      4.70986385
  O     -0.78998465     -5.06228468      2.53451053
  H     -0.35667757     -3.37169439      5.68683405
  H     -0.24101196      1.98538327     -0.31253170
  O      2.44255704     -1.73972933      1.30399133
  H      2.57080176     -3.77594764      4.69173930
  H     -0.17720297      1.10741344      0.95918383
  O     -3.39681488     -4.53042901      3.29398002
  H      3.47588557     -5.02080654      4.83671946
  H     -0.89294792     -2.79133291      0.52033880
  O      0.94757422     -1.24323194     -0.95483045
  H     -2.17826644     -1.38679403     -0.50555131
  H     -2.13241888     -3.46384900     -0.13047577
  O     -1.42734391     -0.81330336      3.95454981
  H     -1.92219608      0.10312405     -0.21845232
  H     -4.49494634     -1.50352386      5.22877601
  O     -0.36798788      1.09506916      0.00431970
  H      1.94431770     -4.87219272      1.09913512
  H     -5.30846715     -0.67166455      6.23438541
  O     -1.25053824     -3.10859404     -0.32601141
  H      2.58678808     -4.66143217      2.50219979
  H     -0.35554825     -5.22295885      4.26215775
  O     -4.65097226     -1.35983927      6.17602064
  H     -0.17286227     -4.64647667     -0.25861641
  H      0.92029237     -5.12020314      5.09389260
  O     -0.04121178     -5.12115098      5.17318276
  H      0.40528823     -5.98429983     -0.76294878
  H     -3.77675531     -4.22344669      1.42587088
  O     -3.75830414     -3.84556339      0.53754246
  H      2.69894591     -0.60467228      2.58592310
  H     -4.27610580     -3.03370895      0.59684229
          69
 Energy    -247.97306037865906     
  O      0.51779034      8.04598855     -2.21114613
  H      1.04123424      7.99991517     -3.01619576
  H     -1.06559638      8.87974593     -1.75988280
  O     -1.14644350     10.30224946      1.08262343
  H      0.91671843      7.45193233     -1.56032883
  H      2.80630546     11.85280421     -6.28890975
  O      0.37762571     10.49624988     -5.20906768
  H     -1.39096985     10.03647020      0.17800193
  H      2.10093727     12.93685044     -7.13851630
  O      1.71770516     10.44882873     -1.35182058
  H     -1.94205865     10.24387630      1.60628884
  H      2.53269510     14.41267453      1.84879135
  O      3.68508010     14.11209515     -1.06688729
  H      0.88288501     11.21199074     -5.61303507
  H      2.80686106     13.87990384      0.42315420
  O     -1.69628723     11.29073554     -3.68397309
  H      1.01316607      9.80202542     -4.99704746
  H      0.35412353      9.22436642      1.46476639
  O      5.39377999     10.57792166     -0.01252556
  H      1.24233604     11.21787333     -1.68966159
  H      1.86428888      9.43047113      1.63770244
  O      3.14082631      5.99749459     -4.40511787
  H      1.17879120      9.67126988     -1.54233539
  H      4.11473826     12.32135072     -3.58420260
  O     -0.26102906     12.94537814      0.36433717
  H      4.58206870     13.76023712     -1.12036408
  H      5.52004066     12.17901714     -2.95131246
  O      3.92136849      6.70725079     -1.87682202
  H      3.30668162     14.01084373     -1.94827895
  H      0.02403110     12.87318711     -1.36498140
  O      2.60113863     13.33258383     -3.60397751
  H     -2.42074826     11.55524549     -4.24412650
  H     -0.45503741     12.30033464     -2.74226764
  O     -1.70991039      9.53359219     -1.45656709
  H     -0.99529073     10.94921359     -4.26919895
  H      4.47087253     10.24094801     -2.82726527
  O      2.10018243     12.52360809     -6.27930059
  H      5.11556534     10.00105187     -0.73158564
  H      3.25157578      9.86569496     -1.94824952
  O      2.34737240     13.68601369      1.26009501
  H      4.60250556     10.70093501      0.53103313
  H      4.48980292     10.94582544     -5.24046363
  O      1.18512388      8.74585830      1.57940106
  H      3.46926984      6.12023038     -3.49734898
  H      3.52420221      9.80077580     -5.63061041
  O      4.92807976     11.79363837     -3.60838607
  H      3.61910333      5.25593951     -4.76514952
  H      2.41733578     10.77854184      0.29027380
  O      0.30211727     12.66769270     -2.27119310
  H     -0.49963239     12.07611195      0.70938270
  H      2.72440766     11.86595563      1.34209949
  O      4.05227728      9.50350814     -2.36181047
  H      0.57131972     13.20251138      0.78002850
  H      2.61481937      7.67133804     -4.63095579
  O      3.97512923     10.58012571     -5.97377495
  H      4.11863328      7.64647719     -1.98402439
  H      2.95129619      8.91456278     -3.76528469
  O      2.86937788     10.93483335      1.13463609
  H      3.26025290      6.65256890     -1.17570894
  H      1.44885443      5.86593377      0.35693458
  O      2.38092784      8.60047467     -4.47963774
  H      2.41519285     13.23175138     -4.54509301
  H      1.55076338      7.39485189      0.55503831
  O      1.71076520      6.67294956     -0.07883851
  H      1.76837837     13.14030393     -3.14598219
  H      5.98933179     12.02886670     -0.78001630
  O      6.21898248     12.80817405     -1.31765228
  H     -1.82410623     10.14479724     -2.19416916
  H      7.10110111     13.06791799     -1.06689712
          69
 Energy    -247.97292691973632     
  O     14.23112025      4.92776270     -9.64072372
  H     13.49541951      4.65374052    -10.20170772
  H     13.94079298      8.35934207    -13.90028808
  O     17.54194977      9.58960977    -14.03032933
  H     15.04464490      4.67004203    -10.09218302
  H     17.04836329      9.42787909    -12.27035231
  O     15.65541265     11.87889419    -11.06712493
  H     17.09319073      8.83600370    -14.43992427
  H     16.37011937     10.24868893    -11.13414412
  O     11.36560205      6.86626364    -14.51732569
  H     18.45373528      9.32175162    -13.85388210
  H     13.72310085      8.06966193    -11.55403917
  O     19.10441128      4.54740926    -12.45995100
  H     15.80805103     12.08971968    -11.99730118
  H     15.17854352      8.47920559    -11.90816977
  O     12.85830867      4.48708605    -13.87712806
  H     14.70509137     11.73259186    -10.97753967
  H     12.33841165      4.22519305    -12.23256756
  O     17.09990819      7.26149728     -9.71676456
  H     11.21963580      6.92809766    -13.55582914
  H     11.52645263      3.42931967    -11.18379844
  O     12.86679619     11.18891071    -11.11428522
  H     10.50317965      6.87061905    -14.92428251
  H     20.90806565      8.81570944    -13.34155013
  O     18.83053990      6.21760848    -14.60642808
  H     19.67112086      3.81716499    -12.69404811
  H     19.87875439      8.04790949    -12.47922413
  O     16.13282062     11.97229102    -13.92233901
  H     18.96504025      5.06493487    -13.27253673
  H     15.83913558      5.18760399    -12.48336724
  O     13.42608340     11.08096992    -13.77337700
  H     12.37273190      5.23306842    -14.24903419
  H     14.92744311      6.38957568    -12.79480664
  O     13.64930921      8.48169651    -14.81889049
  H     13.76916965      4.79088265    -13.75355991
  H     15.38822957      7.77569174    -15.30730618
  O     16.66634428      9.36242365    -11.38680833
  H     16.32592642      7.29413145     -9.14370998
  H     16.01228635      6.65344918    -14.47529083
  O     14.41448426      7.97662205    -12.21880327
  H     17.01180507      8.03233200    -10.29984947
  H     18.87150875      7.12076214    -10.47141038
  O     12.05018254      4.21747297    -11.30235413
  H     12.99988475     11.11797670    -12.07715126
  H     19.52671541      6.12073765    -11.44637177
  O     20.00536225      8.50932719    -13.32787230
  H     12.18365873     11.84217616    -10.98286252
  H     11.46255367      7.46615852    -11.17663310
  O     15.32138375      5.59425272    -13.18778677
  H     17.99854551      6.54579806    -14.96709077
  H     11.32527228      5.96888440    -11.52651743
  O     16.23579304      7.36272654    -15.09840075
  H     19.31488305      6.99745533    -14.30758712
  H     16.89691200      5.62056132    -10.52423943
  O     19.60013162      7.01738658    -11.09515732
  H     16.66280765     11.16502063    -14.02536546
  H     17.56496401      4.53483624    -11.40608621
  O     11.06549131      6.85465463    -11.80966003
  H     16.52366154     12.62924314    -14.49335456
  H     14.40154466      7.21235649     -7.49267334
  O     16.74518677      4.76345264    -10.95087980
  H     13.40148737     10.24946482    -14.26425427
  H     14.35640056      6.44045474     -8.83332931
  O     14.51003702      7.31809906     -8.43466485
  H     14.30981745     11.44274511    -13.91353328
  H     12.71978736      9.48144109    -10.35706258
  O     12.61486370      8.53743607    -10.17594053
  H     12.84014777      7.96067265    -14.89496945
  H     13.24600096      8.27270578     -9.49440319
          69
 Energy    -247.97283417451024     
  O     15.49990969     13.69105762     -9.24132015
  H     15.12171748     12.79744966     -9.14833398
  H     12.91794580     10.70085296    -12.09358807
  O     12.21144946     11.72666120    -16.31276386
  H     15.68005360     14.00751644     -8.36051851
  H     11.14504928     11.91574284    -10.61514295
  O     17.81687115     10.62830730    -12.07679796
  H     12.61886461     12.51500541    -15.91588831
  H     12.41980967     12.70890157    -10.98797228
  O     14.13021002     15.70169152    -13.12749501
  H     11.32299301     11.97248020    -16.55812192
  H     16.86673395     14.16664039    -16.22591422
  O     13.41318270      9.44531536    -15.14250640
  H     17.09137295     10.18539027    -11.61230308
  H     17.60898255     13.18263202    -15.29972387
  O     18.07537327      8.00623055    -13.21637303
  H     17.71110587     11.56558257    -11.86680415
  H     13.51410535     11.32257439     -9.68706674
  O     17.08907469      7.28694493    -15.64597915
  H     15.09349766     15.72417028    -13.17874722
  H     14.84241890     10.53276186     -9.63610741
  O     15.02585115     12.42882881    -13.45258774
  H     13.83408508     15.24920758    -13.92630785
  H     13.71692151     11.56772365    -17.55604084
  O     15.62538743      9.36103124    -10.86223340
  H     12.86751570     10.13150798    -15.54585015
  H     15.10275065     10.89237573    -17.55468955
  O     15.91506122      9.71075054    -16.38441787
  H     14.28712906      9.53075916    -15.55236115
  H     15.40212241      6.99278513    -14.78876117
  O     15.45069399     14.12729618    -17.45653313
  H     17.46245559      7.53002770    -12.64113177
  H     14.06201961      7.69758668    -14.49928476
  O     13.65144037     10.23206802    -12.51440928
  H     18.17234607      8.88546584    -12.83183945
  H     17.21794080     15.08291269    -14.08006215
  O     12.03717643     11.81318855    -10.93400805
  H     17.52087284      7.57283030    -14.82056173
  H     17.57474957     16.33782783    -13.24985788
  O     17.49759997     14.12184397    -15.49681160
  H     17.67651104      6.66248806    -16.06259787
  H     17.63627353     11.05225315    -13.91733180
  O     14.34714830     11.24443757     -9.20808810
  H     14.55198775     11.66486326    -13.10030760
  H     16.40607139     11.81534886    -14.39424339
  O     14.59215676     11.60762365    -17.95880917
  H     15.58300798     12.77635499    -12.74405870
  H     13.98433161     14.20932403    -10.33385470
  O     14.63860068      6.98751110    -14.19628998
  H     15.73398147      8.41289634    -10.99993324
  H     13.49709009     14.77909632    -11.68804800
  O     17.02312176     15.55996172    -13.25325581
  H     14.92303050      9.63676761    -11.47393636
  H     15.81048935      5.85525244    -11.46281881
  O     17.23981873     11.43172029    -14.71074666
  H     16.33222751      8.84531133    -16.30037850
  H     15.38358342      6.80258339    -12.60907048
  O     13.23593264     14.22336530    -10.94045142
  H     16.44852047     10.31839024    -15.85012594
  H     16.51932445     13.48981076    -10.75078886
  O     15.92533305      6.73858101    -11.80224900
  H     15.42180541     14.65256136    -18.25184299
  H     17.06797100     14.13238598    -12.06486649
  O     16.94203030     13.29570681    -11.59799854
  H     15.21040718     13.21864626    -17.71184720
  H     14.13615047     13.39040225    -14.62274908
  O     13.62688141     13.87139156    -15.29683976
  H     13.40736884      9.92311073    -13.39652119
  H     14.23616908     14.08168539    -16.01605274
          69
 Energy    -247.97265968722331     
  O      1.76801650      0.84550066      4.94484573
  H      2.43113317      0.91598789      5.62668554
  H     -2.05765768      3.37918172      0.81585971
  O      0.88777836     -0.76146482     -3.20346828
  H      1.03302609      0.32734114      5.31957252
  H     -3.39698781      0.16982228      7.31495530
  O     -0.33082252     -0.68496391      5.72907485
  H      0.52835309     -1.49815478     -3.69264833
  H     -3.50696320     -0.24341918      5.82670182
  O     -0.76407293     -0.04143702     -1.06549235
  H      0.21216147     -0.51394108     -2.55332344
  H     -0.11162803      3.02054111      2.28236421
  O      2.16316746     -2.36104279      0.31793003
  H     -1.18259585     -0.39564343      6.07953454
  H      0.34076868      2.35870893      0.94411989
  O     -4.48169683      2.99871836      2.86985777
  H     -0.53051614     -1.19297105      4.93436034
  H     -2.27410420      0.87720562     -1.35152878
  O     -3.27187495     -3.24350891      3.33539311
  H     -0.82901212     -0.89461127     -0.61308255
  H     -3.29442481      1.47278125     -2.35023380
  O      0.22497018      3.10256420      4.02411024
  H     -0.06089468      0.44239069     -0.61046817
  H     -1.38388002      1.32928625      1.93124250
  O      3.05857714     -0.36619367     -1.57728887
  H      2.20102152     -1.86247426      1.14473987
  H     -2.62895623      0.39240408      1.76171822
  O     -5.82169003      0.70137315      2.63271819
  H      2.57033947     -1.79122573     -0.34500421
  H      0.35548158     -2.54856990      0.21374041
  O     -4.44169605     -0.93283249      4.54931476
  H     -3.81208687      2.91589945      3.55994812
  H     -0.72534794     -2.26760985      1.27589873
  O     -2.99130163      3.43717437      0.56753554
  H     -4.01171661      3.24230596      2.05825824
  H      1.84623120     -0.09513285      3.32835270
  O     -2.92377269      0.17295154      6.48760511
  H     -3.46324233     -4.13809414      3.60405067
  H      0.83623408     -1.11036754      2.76377799
  O     -0.40222566      2.78566920      1.38685008
  H     -3.38638904     -3.20599736      2.36856549
  H     -2.25545649      1.59058542      3.84661151
  O     -3.12898666      1.33492316     -1.42107034
  H      0.79635116      2.40118294      4.35742556
  H     -2.58097944      1.63755111      5.35353021
  O     -1.87637688      0.59917587      2.32977250
  H     -0.65871758      2.91702805      4.37144453
  H      2.10458484      0.69716682     -0.33078724
  O     -0.59884504     -2.43231332      0.33311953
  H      2.36827659     -0.51279557     -2.24623990
  H      1.51618664      0.48229573      1.08703617
  O      1.64559772     -0.62898718      2.54883729
  H      3.87169049     -0.20604140     -2.04898633
  H     -1.64951122     -2.35424577      3.28827354
  O     -2.38579965      2.19585023      4.59242019
  H     -5.38667305      1.56852606      2.74101532
  H     -1.25458929     -0.89746670      2.88365523
  O      1.44147332      1.02479940      0.28805820
  H     -6.76126559      0.85711355      2.66460220
  H     -3.66778907     -1.99177596      0.60286626
  O     -0.89731700     -1.77190188      3.12203391
  H     -4.93713066     -0.41860708      3.90098295
  H     -2.45365721     -2.91251610      0.34571338
  O     -3.36563823     -2.91067236      0.66212063
  H     -4.13187196     -1.73184495      4.10717825
  H     -3.92559964      0.36166609     -0.04815376
  O     -4.03681313     -0.21651515      0.71689920
  H     -3.09296895      2.83719970     -0.17854111
  H     -4.75692039      0.11956374      1.26730359
          69
 Energy    -247.97263347135805     
  O     17.79180019      8.17344190    -12.52114348
  H     16.94490173      8.50713871    -12.18239202
  H     13.62450787     10.45874343    -13.91607789
  O     11.47460074      7.59931412    -10.46311568
  H     17.58180935      7.49025222    -13.16910348
  H     11.98534604     10.56988341    -12.37828024
  O     18.92060318     10.60926394    -13.04172180
  H     11.30619635      7.61987858    -11.42340311
  H     11.24699790     11.24663578    -13.55951992
  O     11.22956847      7.79118126    -13.14735460
  H     10.69254144      7.24479633    -10.04936598
  H     18.10494276      5.17313710     -9.98384474
  O     16.88509284      6.21434810    -14.29399214
  H     18.58295145      9.70762879    -12.90674019
  H     16.83271690      4.79503237     -9.25507694
  O     18.46461116      7.07425286    -10.03127289
  H     19.66867848     10.54028762    -13.62913230
  H     14.52508546      7.59782667    -11.17147572
  O     18.96712757      9.37160728     -8.47997133
  H     11.78243949      7.23411422    -13.70796672
  H     13.19891517      6.99777816    -10.61996347
  O     15.95534911      6.55630972     -8.73612382
  H     11.43215637      8.70907800    -13.36798965
  H     16.24697422     13.84366287    -10.51925827
  O     12.91093919      6.05991760    -14.67072879
  H     17.38972123      5.48746288    -14.65154892
  H     16.34668446     12.68857662    -11.54603621
  O     16.50515620     12.15029227    -13.18505250
  H     16.16150496      5.81793349    -13.78100634
  H     15.04384025      9.49539347    -12.52849903
  O     14.89564921      7.97222626    -15.42697064
  H     18.73933489      7.81152876     -9.47112939
  H     15.19876831      9.66807338    -10.98474501
  O     14.57052194     10.32617724    -14.05774409
  H     18.31897713      7.43772024    -10.91433189
  H     17.94544724     11.93063826    -10.29194409
  O     11.87865843     10.56451679    -13.34790970
  H     18.91030415     10.10487965     -9.11859722
  H     18.89163660     11.14949012    -11.22230247
  O     17.51573648      4.42356188     -9.82618434
  H     19.65039989      9.60187789     -7.85612790
  H     15.21720102     10.30152719     -8.93757182
  O     14.11559721      6.78585911    -10.83441554
  H     16.78037177      6.76878377     -9.19763987
  H     15.27288977     11.56787379     -9.86467618
  O     16.34098511     12.89797621    -10.59384121
  H     15.25864208      6.57299775     -9.40673052
  H     14.53064178      5.64474821    -12.12029156
  O     15.35183491      9.06151863    -11.72165048
  H     12.54311870      5.36266100    -15.20858921
  H     15.24959812      4.32757660    -12.56780801
  O     18.71986843     11.35519408    -10.29552448
  H     13.52658694      5.63797709    -14.04792500
  H     17.11444427      9.33416129     -7.97384191
  O     14.75999240     10.78006974     -9.64665109
  H     17.33733650     11.66886002    -13.26644605
  H     15.97262600      8.30651558     -8.00821254
  O     14.77225430      5.10641289    -12.88912084
  H     15.82426757     11.58920339    -13.58067340
  H     13.03258146     10.56882725    -10.23443817
  O     16.15882677      9.24576739     -7.87816437
  H     14.14720835      7.37855376    -15.28820983
  H     11.94865603      9.47788947    -10.42957570
  O     12.19299072     10.37797707    -10.67467890
  H     15.67418614      7.45796760    -15.18450569
  H     16.41778570      2.17791954    -11.76627916
  O     16.35785867      3.11536598    -11.92863726
  H     14.68325084      9.55913869    -14.63905433
  H     16.81373697      3.54490216    -11.18419708
          69
 Energy    -247.97262570696279     
  O     -2.26237142      5.12152807      3.71437616
  H     -2.20362711      4.76240579      2.81178715
  H     -4.26240134     -3.70124568      0.86095952
  O     -0.14366194      2.23112198      0.39988713
  H     -2.04673802      6.04860816      3.65333865
  H     -4.01456186      3.03521453      5.27771879
  O     -1.40997197     -0.27175999      2.41420229
  H      0.27977191      1.98353440      1.23252569
  H     -3.85619719      4.37072247      4.54553267
  O     -5.94697633      1.42292685      1.65875991
  H     -0.41939797      1.40365014     -0.01057822
  H     -4.26823932      5.46698209     -1.15983981
  O     -4.34420442     -1.98603747     -1.81355061
  H     -0.59378741      0.16126734      2.69130964
  H     -4.42862312      3.99087226     -0.75281055
  O     -1.29900563     -0.33248499     -0.35069500
  H     -2.09243892      0.42000806      2.38773497
  H     -5.97450321      3.04777516      4.40806845
  O     -4.05531788     -1.04437182      5.87677368
  H     -6.32117405      1.84819065      2.44113599
  H     -7.51826149      3.05358316      4.33847807
  O     -6.40172674     -0.22755953      4.81752870
  H     -5.96205733      0.46618206      1.80535333
  H     -1.39965845      3.42775753      0.88155774
  O     -0.66571462      2.94486143      4.69397536
  H     -3.48269929     -2.39715367     -1.66804054
  H     -2.69417790      4.26803521      0.56399455
  O     -3.36357131      0.67916120     -1.87494168
  H     -4.16476508     -1.04307039     -1.91122359
  H     -5.63134609      2.12775677     -0.00136429
  O     -5.77219883     -1.26815137      2.26733284
  H     -1.34194473     -0.35766248      0.61611881
  H     -4.69052049      1.81550398     -1.18622434
  O     -3.34774096     -3.80479115      1.15035898
  H     -1.34793744     -1.25367951     -0.63618736
  H     -3.46817739     -1.82836592      4.26637945
  O     -4.51022276      3.81111325      4.97928682
  H     -4.94079881     -0.76091054      5.58316591
  H     -2.55219502     -1.48825815      3.05766419
  O     -3.85270469      4.76998951     -0.66082226
  H     -4.16346370     -1.44979315      6.73273198
  H      0.30201681      1.99698002      3.61404675
  O     -6.74870714      2.53917623      4.10895732
  H     -6.56326233      0.71097246      4.66384461
  H      1.65432633      1.30455181      3.32484820
  O     -2.13046527      3.92650017      1.27361622
  H     -6.37450237     -0.64532358      3.94585993
  H     -3.14239683      1.53567208      4.24881236
  O     -5.29933389      2.47898898     -0.83845620
  H     -1.37882700      2.38844922      5.03776911
  H     -3.27536830      0.62425261      5.50408725
  O     -3.29048722     -2.04644707      3.34381067
  H     -1.09261129      3.76789761      4.42916211
  H     -5.43576931     -2.63003766     -0.61636295
  O      0.76644718      1.40651327      2.99356296
  H     -2.95032268      1.08032041     -2.63705930
  H     -6.62412611     -3.56289704     -0.28265230
  O     -2.98649589      1.49286612      5.20554531
  H     -2.64143324      0.39475005     -1.29152502
  H     -2.29599590     -3.34752352     -0.16548032
  O     -5.92971865     -3.04410896      0.11404618
  H     -5.95822848     -1.86984743      1.53631401
  H     -1.30365834     -3.77111982     -1.27395094
  O     -1.81837249     -3.03471639     -0.95528688
  H     -4.89611649     -1.50669575      2.60172091
  H     -2.91542647      2.47381160      2.02695898
  O     -3.29009648      1.67924564      2.42983157
  H     -3.27817625     -3.32507913      1.98647910
  H     -4.19868955      1.59602619      2.11720756
          69
 Ord_Energy   -247.972473    
 O    3.98151135       1.82699537       9.16541862    
 H    3.15423608       1.37557328       8.96546078    
 H    4.26183844       2.32134151       8.38441944    
 O    4.49749231      -1.83608341       9.31405354    
 H    4.95823812      -1.20069599       9.88157845    
 H    3.61868095      -1.92847395       9.69947147    
 O    6.57592392       1.19746923       6.76049423    
 H    6.99299860       1.17235601       7.63375568    
 H    5.84617805      0.560615420       6.77054024    
 O    4.49931479     -0.689784586       6.71116114    
 H    4.95742369      -1.35034418       6.17468214    
 H    4.42687845      -1.06183863       7.60048056    
 O   0.560127258       2.54429770       10.3593235    
 H  -0.295739055       2.72256279       10.7413578    
 H    1.05533803       2.02478623       11.0175295    
 O    7.76708841      0.923784673       9.27927303    
 H    8.29718876      0.145740837       9.06501007    
 H    7.07359695      0.626661658       9.88590527    
 O    3.72763443       5.97625351       10.1032276    
 H    3.39952397       6.84138680       10.3319073    
 H    3.01921916       5.52827740       9.60620594    
 O    7.27857828       3.64301753       10.1154203    
 H    6.46518850       3.52571011       10.6201239    
 H    7.56633520       2.76312470       9.84407902    
 O    4.57625198       3.56687784       11.2466688    
 H    4.32152319       4.46893358       11.0189247    
 H    4.27508831       3.01230502       10.5110283    
 O    1.48768556      0.460842788       8.73815918    
 H   0.996586740       1.20686090       9.10183430    
 H    1.53682947      0.532192409       7.77301788    
 O    1.93759716      -1.55625451       10.4677057    
 H    1.20151258      -2.16236258       10.5003624    
 H    1.72235429     -0.888421476       9.79037952    
 O    1.92466652      0.886377811       12.0570488    
 H    2.76715732       1.06997705       12.4890013    
 H    1.99549055       1.16291002E-03   11.6809397    
 O    6.76823616      -3.07068038       8.19169617    
 H    6.55446529      -3.06196117       7.25051212    
 H    5.96523333      -2.78338623       8.64594650    
 O    8.28093719     -0.801770985       5.74725485    
 H    7.79659796       1.66595392E-02   5.92433071    
 H    8.70000744      -1.03195381       6.58563423    
 O    5.53737783      0.250584364       10.7695847    
 H    5.00353146      0.791631341       10.1631708    
 H    5.30459785      0.536994636       11.6591606    
 O    8.97539711      -1.49477923       8.45690346    
 H    8.20938492      -2.09570003       8.42760563    
 H    9.71115780      -2.00307393       8.78782845    
 O    1.81245947       4.57521772       8.78963089    
 H    1.89084280       4.22824144       7.89344645    
 H    1.38311934       3.89258695       9.31983471    
 O    4.87469912       3.32411623       6.95037413    
 H    5.56240892       2.67881274       6.74073696    
 H    5.28826380       4.08804131       7.38114452    
 O    2.33314276       3.54805994       6.14349127    
 H    3.28541970       3.52217889       6.35110712    
 H    2.23463011       4.10621357       5.37595797    
 O    5.95520973       5.35554743       8.37280464    
 H    6.55245781       4.85008144       8.94547653    
 H    5.26462841       5.70646620       8.94643402    
 O    4.51127005       1.56038034       13.0655622    
 H    4.55450344       2.37068939       12.5260239    
 H    4.85166311       1.78264797       13.9279203    
 O    2.06746650      0.694277108       6.12469006    
 H    2.93952775      0.280035138       6.18375349    
 H    2.19376826       1.64369607       6.00521469    
 O    6.20713615      -2.53125167       5.42865229    
 H    6.98688459      -1.94702387       5.43662834    
 H    6.23712063      -3.02235770       4.61247540    
          69
 Ord_Energy   -247.972412    
 O   -4.34863997      -3.93710208       5.36931181    
 H   -3.44081092      -3.62673545       5.29147673    
 H   -4.77430439      -3.43424034       6.08006716    
 O   -8.14151573       2.62976623       4.52541399    
 H   -7.91070795       1.80664217       4.98917580    
 H   -7.51019716       3.28143191       4.84707355    
 O   -1.73706007      -2.87166309       4.86527872    
 H  -0.945333719      -3.39710426       4.79054117    
 H   -1.87805438      -2.44426751       4.00041342    
 O   -10.4611893       1.04538953       4.15884972    
 H   -9.77728844       1.72202516       4.23520756    
 H   -10.3865700      0.672708333       3.27230287    
 O   -5.76699352       3.94857526       5.58088732    
 H   -5.65947723       4.82732058       5.93439627    
 H   -5.71005487       3.33398700       6.33563852    
 O   -6.74353123       1.91313124       2.18676233    
 H   -5.85309792       2.15068793       2.46622372    
 H   -7.32124329       2.22200179       2.89840770    
 O   -4.36637640       2.31221080       3.75057983    
 H   -4.77976894       2.94708896       4.34942293    
 H   -4.67826700       1.43184507       4.01514435    
 O   -10.3139019     -0.501221538       1.71765780    
 H   -10.9441519     -0.477783173       1.00262439    
 H   -10.5500298      -1.26186562       2.27814746    
 O   -5.75205421      -4.37515736       3.15283513    
 H   -5.68849754      -5.28807306       2.88887811    
 H   -5.24464178      -4.27855253       3.98132920    
 O   -2.25101423      -1.45306146       2.61827803    
 H   -3.16134381      -1.55755305       2.30858898    
 H   -2.13708210     -0.523255467       2.84677100    
 O   -7.93432379      -2.73463821       3.78373861    
 H   -7.75889349      -1.97627950       3.20930886    
 H   -7.26419353      -3.39827871       3.58178759    
 O   -7.50565147     -0.687259138       1.89102101    
 H   -7.20592165      0.232200503       1.96617222    
 H   -8.44571686     -0.643553972       1.67934537    
 O   -4.06722164     -0.135360077       8.23655415    
 H   -3.45422268     -0.222962707       7.48803329    
 H   -3.56855750     -0.345185995       9.02300549    
 O   -10.7178192      -2.52879572       3.48827410    
 H   -9.79023361      -2.79129362       3.57384515    
 H   -10.9473934      -2.12476444       4.33427763    
 O   -10.9582891     -0.989175797       5.90292788    
 H   -10.7822771     -0.216591105       5.33592033    
 H   -11.7238703     -0.772322416       6.42816830    
 O   -2.53425837     -0.449940830       5.97214699    
 H   -2.18631935      -1.31632411       5.72008228    
 H   -2.20719790      0.182767823       5.31960917    
 O   -5.64462519      -2.43062615       7.28423834    
 H   -5.29015207      -1.62336147       7.67008972    
 H   -6.59165239      -2.29528427       7.15703964    
 O   -4.98413563     -0.285442442       4.49971485    
 H   -4.21906805     -0.507417500       5.04195499    
 H   -4.99217606     -0.882126510       3.74108887    
 O   -4.99684191      -1.85541523       2.16523814    
 H   -5.19744492      -2.77051163       2.40400767    
 H   -5.82645893      -1.45869482       1.86486673    
 O   -1.87659442       1.20257998       3.75485945    
 H   -1.17722237       1.79870129       3.49982023    
 H   -2.70832062       1.70269334       3.69054341    
 O   -5.73225927       2.04653788       7.50024939    
 H   -5.09742546       1.42165899       7.86753941    
 H   -6.38319540       1.49134612       7.04554892    
 O   -8.37831116      -2.02443433       6.42925692    
 H   -8.18428516      -2.34490371       5.53430223    
 H   -9.30519199      -1.75354469       6.41720104    
 O   -7.25524807      0.424452841       5.85952425    
 H   -6.47366476      0.125611022       5.37155151    
 H   -7.72945404     -0.369629383       6.12967205    
          69
 Energy    -247.97232521681099     
  O     16.33716271     13.15647826    -16.24592477
  H     16.29741881     13.96346468    -16.75183040
  H     15.03219705      7.94458639    -18.01557635
  O     16.19418297      7.13305482    -13.87753129
  H     15.47770967     13.06790217    -15.79531519
  H     14.70892081      9.88976250    -14.68988758
  O     18.13744603     12.54213088    -14.11034291
  H     15.79811206      6.45787552    -14.43573082
  H     15.75170594      8.81779093    -14.21111881
  O     18.54936910      6.71327476    -17.84917318
  H     15.79754472      7.13922801    -12.99141663
  H     13.21958730     10.31718855    -12.07399941
  O     17.48768764      9.40444514    -10.60605321
  H     17.56311064     12.82093845    -14.83316598
  H     12.60116833      9.03709771    -12.68878667
  O     11.75174989      8.31408744    -14.24444273
  H     17.55550762     12.23960147    -13.40062747
  H     19.37762337      8.23851821    -12.93044224
  O     13.77584474     12.21088255    -12.20194132
  H     18.86493543      7.52385898    -17.42940732
  H     19.80550350      9.70816555    -12.98495183
  O     18.52546400      4.77688241    -15.70475692
  H     18.66444036      6.00562616    -17.20288445
  H     13.49391860      9.75192169    -16.49300527
  O     15.27901115      7.68827317    -11.41521781
  H     18.23641629      9.24782703    -11.20926197
  H     12.52200215      9.65248864    -15.27521160
  O     15.95242963      6.42416492    -18.53444862
  H     17.84274295      9.38532582     -9.72126333
  H     19.62645235      9.66775541    -15.77204310
  O     15.69319095      5.20731009    -15.95213294
  H     12.29717987      7.66996371    -14.73089418
  H     18.31816319      9.52423211    -16.57492284
  O     14.64894002      8.69474370    -17.54318144
  H     10.86372164      7.96685396    -14.23042353
  H     18.98156784      7.76775947    -15.02702141
  O     15.61102355      9.76110710    -14.37374200
  H     13.57609768     12.77971842    -11.46234509
  H     17.91439076      7.13099348    -14.09566451
  O     13.12320818      9.36723055    -11.94762971
  H     14.71834970     11.98039986    -12.13035453
  H     19.49137449     11.50152406    -14.35108747
  O     19.50520738      9.02106920    -12.37866244
  H     19.11116765      4.06795686    -15.45228999
  H     21.02959452     11.37979590    -14.46011703
  O     13.13842976     10.23604403    -15.73585597
  H     18.73688007      5.53309616    -15.12986140
  H     16.67016618     11.36956044    -16.79614646
  O     19.12746077      9.05429670    -16.32669162
  H     15.98658225      8.23403334    -11.05370538
  H     16.43973675     10.16992530    -15.86474946
  O     18.85682759      7.10656945    -14.33154714
  H     14.50910447      8.26738203    -11.52273834
  H     16.11472799     10.76690854    -13.02444683
  O     20.22461540     10.86866661    -14.45885296
  H     15.88571793      5.97391983    -19.37240165
  H     16.74258123     10.76279790    -11.60602950
  O     16.73875461     10.40853486    -16.75808243
  H     16.90044044      6.57733042    -18.37008792
  H     13.84633344     12.71921196    -14.04133177
  O     16.36420685     11.34021468    -12.28011798
  H     16.59186457      4.89104510    -15.79780416
  H     13.56611587     11.97161993    -15.35221044
  O     13.96213873     12.78001270    -14.99674575
  H     15.71302880      5.57959896    -16.84459330
  H     13.97192990      6.05338564    -15.77689998
  O     13.36479162      6.80067973    -15.80490613
  H     15.38528561      9.30100443    -17.37921091
  H     13.78397498      7.44859254    -16.38708763
          69
 Energy    -247.97229286380716     
  O     13.33168818     12.01199444     -9.01984243
  H     12.46021393     12.17712944     -9.40789900
  H     10.18045271     13.72064640    -13.54038417
  O     10.68169051     11.29603649    -15.41863939
  H     13.89288131     12.74110123     -9.30437070
  H     17.00751166     11.16164567    -16.68090441
  O     13.80048621      9.48763220     -9.91677489
  H     10.97021961     11.42485123    -16.33173728
  H     15.95365592     12.27586269    -16.63570706
  O     17.60596678     12.84962457    -13.89235192
  H     10.80679758     12.14711365    -14.97527892
  H     13.44710769     12.79839647    -12.67905055
  O     11.06232580     12.24857985    -10.65649492
  H     13.84614709      8.87432468     -9.18712984
  H     12.32619029     13.08710834    -11.63405109
  O     11.50485095      9.68957968    -11.65025881
  H     13.67394488     10.37304039     -9.53196893
  H     12.49928668     13.40070246    -16.92392826
  O     12.40728220      9.50835263    -14.23105297
  H     16.83445801     13.20524793    -14.35773563
  H     12.08729420     14.17803926    -15.66263795
  O     14.86809165     14.12761447    -10.32132052
  H     17.37895752     12.81039959    -12.95828714
  H     13.58795756     10.81654416    -13.85472606
  O      9.14139560     10.55678936    -13.15336410
  H     10.25628681     12.61743678    -11.03617265
  H     14.85134133     10.98235671    -12.98132471
  O     15.23472772     13.35376086    -15.28390668
  H     11.15441855     11.34962887    -11.00895150
  H     18.08463113     11.41275513    -14.77664435
  O     13.96092016     10.17548405    -17.60048260
  H     11.84727992      9.55537292    -12.54767764
  H     19.18338166     10.59747546    -15.49622427
  O     10.96291292     13.77610606    -14.10188810
  H     12.23265168      9.47544802    -11.05540773
  H     12.63585123     11.22287564    -17.80213267
  O     16.29311675     11.55955031    -17.18992054
  H     12.94071357      8.93263505    -14.79293205
  H     11.63821240     11.88063668    -18.78561093
  O     13.00215941     13.50620860    -12.18674602
  H     11.81952873     10.04423685    -14.78249686
  H     15.19315538      9.78073855    -11.12713851
  O     12.77915624     14.10874091    -16.33027039
  H     14.21752276     14.01293695    -11.03652657
  H     16.33068388     10.79885850    -11.44836263
  O     14.21935206     11.46802911    -13.52480145
  H     14.84338650     15.04861806    -10.07383356
  H     17.06520226      9.32300687    -14.64912053
  O     18.25121611     10.60604372    -15.29569522
  H      9.54804819     10.67080951    -14.02370451
  H     16.27674769      9.06104169    -13.35070598
  O     11.87710327     11.83288226    -17.86435593
  H      9.78256671     10.07701507    -12.61661011
  H     14.32493873      7.11861679    -15.95584009
  O     15.85819294     10.02596536    -11.78358639
  H     14.45520362     13.76094374    -15.68562387
  H     15.03173034      8.27265671    -15.20578877
  O     16.39754699      8.74657098    -14.25505009
  H     14.89714801     12.63332695    -14.73117068
  H     16.28798279     13.10015217    -10.77504988
  O     14.23388922      8.03583956    -15.71293652
  H     14.04764065      9.39861339    -17.03962669
  H     17.75024456     12.69207810    -10.49312309
  O     17.00052691     12.50462846    -11.05425825
  H     14.80700885     10.64525596    -17.53987313
  H      7.97798675     13.37052554    -12.11672737
  O      8.88242568     13.09962831    -12.24796556
  H     11.71715068     13.82074037    -13.49821087
  H      8.85832777     12.18016862    -12.57105150
          69
 Energy    -247.97206135538960     
  O      1.28331131      2.26568864      3.18035286
  H      0.48073631      2.40327556      3.70836521
  H      1.68484500     -3.49777491      2.44108364
  O      0.80628966      3.33228437      0.75304002
  H      1.66817080      1.44474456      3.49771540
  H     -1.51783542     -3.61548119      3.78883799
  O     -1.15561922     -0.47539769      4.49883097
  H      1.18244069      4.20812245      0.73407126
  H     -0.01369751     -3.38510971      4.07943137
  O      2.06899302     -3.36608873     -2.05049008
  H      1.03238958      2.94900315      1.62091887
  H     -3.88233262      0.91346338      3.57520271
  O     -1.13975700     -1.09036717     -3.74589151
  H     -1.13220361     -1.43900651      4.60224003
  H     -3.15028100     -0.17537365      4.37219127
  O      1.60995119     -0.83482875     -2.91918533
  H     -1.26821920     -0.30417645      3.54910321
  H     -2.48777409     -0.67387094     -0.67991019
  O     -3.41818777      2.67467095      2.87566679
  H      2.77485118     -3.75936882     -2.55675979
  H     -2.38299433     -2.12949813     -0.12227164
  O     -2.77913041     -4.28459875      2.55012476
  H      1.98769602     -2.44356696     -2.35352210
  H     -1.12241583     -3.68229271     -1.67313244
  O     -1.50988431      0.65719692     -1.58779295
  H     -1.09093447     -1.97555901     -3.34217338
  H      0.19263489     -3.60340015     -2.46283830
  O      1.19152736      1.06478232     -0.88764761
  H     -1.52888098     -1.20343629     -4.60891819
  H     -1.49867141      0.88947777      1.50298687
  O     -4.33261672     -2.11935313      2.20333477
  H      0.73766349     -0.84123920     -3.33188770
  H     -1.99325863     -0.55843985      1.27981317
  O      1.79373181     -3.43092752      3.40337882
  H      1.60293414     -0.09617216     -2.29647417
  H      1.32207625     -2.33729956      0.80391862
  O     -0.90238236     -3.18368069      4.39435214
  H     -4.06713114      3.37448711      2.85154876
  H      1.68690059     -3.43237852     -0.22997963
  O     -3.98957624      0.02914388      3.94532313
  H     -2.97123791      2.68207904      2.01485524
  H      1.87310228     -1.52040603      3.93988941
  O     -2.90864987     -1.31647169     -0.09499002
  H     -3.38851967     -3.52587375      2.48044616
  H      0.78353911     -0.49199208      4.27993175
  O     -0.76318874     -3.50465566     -2.55202826
  H     -3.31246166     -5.04469190      2.76710194
  H      0.25877317     -0.46285018      1.36107368
  O     -1.37731057     -0.02152230      1.79501496
  H     -1.50167981      0.15886539     -2.41532227
  H      1.58304918     -0.55356938      2.12239871
  O      1.34677381     -3.29796030      0.66316129
  H     -0.57917100      0.78230612     -1.35241348
  H     -1.90633388      2.56104983      4.09075957
  O      1.69609466     -0.57199440      3.96988499
  H      1.17827360      1.93300656     -0.46860205
  H     -1.14629879      1.40852674      4.77178641
  O      1.20330855     -0.64824134      1.24050353
  H      1.32434518      0.43099718     -0.16585848
  H     -1.86527517     -3.98545322      0.96521182
  O     -1.09391783      2.35147185      4.56564103
  H     -4.31401997     -1.37344011      2.81964415
  H     -0.47131905     -3.57852823      0.41143320
  O     -1.40684513     -3.65578117      0.18176385
  H     -4.08202438     -1.77320043      1.33791656
  H     -0.98817415      2.87287103      0.61023398
  O     -1.86590495      2.46755563      0.57544058
  H      2.41923720     -4.10696914      3.65420826
  H     -1.92242787      1.97310778     -0.25305857
          69
 Energy    -247.97197440876829     
  O     17.00654004     10.73399397    -10.86132787
  H     16.70577047     10.09305714    -10.19521223
  H     17.42977084      6.04602726    -13.94252437
  O     16.94671277     12.65634384     -8.89042662
  H     17.83793388     10.37533113    -11.19807958
  H     15.77850807      6.06384380     -9.09101625
  O     12.70145048      6.91793385     -8.20305197
  H     16.95351069     12.07591579     -9.66959908
  H     15.41248538      6.40705822    -10.58714541
  O     14.87405315      9.75301232    -12.39688060
  H     16.85539031     13.54912249     -9.21421018
  H     18.94983846      9.09781560    -13.35733445
  O     19.29103910      9.30712840    -11.52611798
  H     13.42047473      6.40658646     -7.82327363
  H     18.67539217      7.81466113    -14.16206048
  O     20.76699185      9.72381531     -9.16677453
  H     12.94344382      7.84932462     -8.07469054
  H     17.59341308      8.41653951     -6.32054035
  O     18.60746140      6.62819290    -11.09431264
  H     15.17714068      9.65931285    -13.30899212
  H     16.96104763      9.16555645     -7.50695098
  O     11.74358780      7.21243061    -10.72808056
  H     15.59574649     10.17560282    -11.91236726
  H     16.97215279      9.15533415    -14.68021434
  O     15.27986060     11.33718001     -6.91999293
  H     19.89637065      9.52588139    -10.80713594
  H     15.98638787      9.66821629    -15.75787574
  O     12.63062227      9.97999181    -10.66267600
  H     19.01586310      8.39056609    -11.37263354
  H     16.20194301      7.98001355     -9.41832314
  O     13.64297110      9.51280564     -8.16477943
  H     21.66055965     10.00707981     -8.99257976
  H     15.23759645      9.07959344     -8.85237744
  O     18.38881118      5.93892392    -13.80724824
  H     20.18375175     10.28364894     -8.62359964
  H     18.42604619     11.78905952     -8.03098022
  O     16.13862063      6.22764507     -9.97066809
  H     18.61605646      6.28794501    -11.99707522
  H     18.52343875     10.53774490     -7.13898778
  O     18.60727302      8.77691051    -14.20177079
  H     17.74022256      6.41222413    -10.72020989
  H     15.22371946      7.27378611     -7.08398883
  O     17.25723061      9.27808575     -6.58894907
  H     10.87262377      6.83970525    -10.83332727
  H     16.32641074      6.24134738     -6.91407654
  O     16.02817338      9.24499579    -14.90466132
  H     12.02012295      7.02939774     -9.81224115
  H     14.51418878      7.99677099    -11.97686079
  O     16.15604056      8.88544963     -9.09091763
  H     15.77345792     11.88097373     -7.54612785
  H     13.37878726      7.02669408    -11.54602041
  O     19.05319611     11.16112846     -7.65393689
  H     15.92546265     10.72357902     -6.54686105
  H     19.40341071      6.83918418     -9.42499412
  O     15.41731641      6.34510003     -7.23163221
  H     12.19514335      9.12767588    -10.78632301
  H     20.10571275      7.98976489     -8.68231300
  O     14.30026596      7.06358533    -11.83063537
  H     13.31997635     10.02820420    -11.33786062
  H     18.68506243      6.72539321     -7.18754721
  O     19.67229513      7.13927007     -8.54678208
  H     13.24214091      9.84120085     -8.98506957
  H     18.62655220      6.06890335     -5.78826546
  O     18.10482620      6.55130824     -6.42392256
  H     14.04507998     10.25033653     -7.68435072
  H     15.74515350      7.37198480    -14.54518665
  O     15.75747159      6.48310330    -14.16876222
  H     18.66191968      5.19716422    -14.34000246
  H     15.18666536      6.52260477    -13.39034098
          69
 Energy    -247.97172659055030     
  O     15.21140611      9.25173049    -16.65892745
  H     14.49559980      8.75854058    -16.24603202
  H     16.97900085      2.72860465    -15.98008259
  O     13.85960506      3.01890941    -16.13642062
  H     15.74095051      9.62697037    -15.94306108
  H     21.34118854      4.18221834    -14.52974843
  O     17.17184621      6.18185904    -11.50050463
  H     14.77517847      2.77702304    -16.37317623
  H     20.34869428      4.70722273    -15.59502888
  O     19.95205179      5.02791867    -17.25040176
  H     13.29849939      2.31060149    -16.43942813
  H     18.02700116      6.92443823    -16.61666414
  O     17.87752439      3.81415592    -18.82870944
  H     17.04097087      5.26219574    -11.77253649
  H     18.11446119      7.91613335    -17.79766106
  O     14.62247432      6.30509373    -10.33298918
  H     16.89392437      6.74069184    -12.24310056
  H     16.04550359      5.76026523    -16.15697982
  O     14.07005273      3.93726024    -13.47048410
  H     19.31451212      4.52888517    -17.77435134
  H     17.19936550      5.08192174    -15.34342995
  O     16.17323344      7.62441386    -13.63306974
  H     19.66188630      5.94944354    -17.30511036
  H     12.14332185      7.94950709    -15.61345844
  O     17.87779591      3.51416841    -14.61398986
  H     18.07476279      3.42793698    -19.67849391
  H     13.14977379      7.33213988    -14.61853759
  O     14.27178279      3.42018102    -10.54621372
  H     17.27202114      4.55809294    -18.99680108
  H     14.08292980      4.73408909    -16.74097132
  O     19.20988037      8.95684860    -14.82336644
  H     15.54827803      6.30577370    -10.62622172
  H     13.84156329      6.26878947    -16.55851358
  O     16.42464906      2.53554591    -16.74949738
  H     14.59774039      6.79992993     -9.51730175
  H     19.89548483      6.01687197    -13.55762934
  O     20.45910799      4.52573744    -14.64350468
  H     13.86305979      4.87979252    -13.44609281
  H     18.96553594      6.52218338    -12.42668359
  O     18.64471330      7.47290412    -17.12602939
  H     13.92582090      3.61890828    -14.36916207
  H     16.08047708      3.28215541    -11.41681897
  O     16.85264623      5.92772742    -15.65398811
  H     16.39646414      8.53821801    -13.84147508
  H     15.73463762      3.71636085    -12.82184064
  O     13.03447594      7.61520941    -15.53999592
  H     16.48168993      7.06883589    -14.36533298
  H     16.32956650      6.77792678    -19.19714134
  O     14.39720406      5.61197709    -16.99436641
  H     17.52903554      3.41954940    -13.71761353
  H     15.40644709      5.74366293    -18.53339496
  O     19.59769187      6.80836975    -13.09296439
  H     18.81160958      3.75196068    -14.55068420
  H     14.58017081      7.07693432    -13.26371157
  O     16.49710770      3.55764795    -12.24105948
  H     14.30731003      4.35939963    -10.32661437
  H     13.74818161      6.60824959    -12.06357107
  O     16.10579827      5.83973228    -19.19413662
  H     13.95182715      3.39768190    -11.45628667
  H     17.75624686      9.80771494    -14.64484844
  O     13.70977317      6.71680758    -13.02026088
  H     19.16268999      8.50793447    -15.67789855
  H     16.95246457     11.02864555    -14.13056328
  O     16.85620703     10.16926975    -14.53003491
  H     19.39890356      8.26962637    -14.16792253
  H     16.12910705      8.84676300    -18.08886035
  O     16.70067123      8.59931594    -18.83761065
  H     16.89846238      2.89536614    -17.50885587
  H     16.69410016      9.33565267    -19.44303048
          69
 Energy    -247.97170762174267     
  O     12.96510218     12.56282970    -10.49297069
  H     12.00139158     12.59610345    -10.43973362
  H     16.60911058     14.25844580    -18.61585724
  O     10.94515233     11.93264755    -14.70986811
  H     13.20609625     13.32532365    -11.03817768
  H     14.28027435     15.26049876    -11.80177945
  O     13.42249496     10.03448582    -11.59253354
  H     10.98226442     12.19198358    -15.63895169
  H     14.02086801     14.07976590    -12.76951486
  O     18.61879425     13.22431862    -13.96847738
  H     11.00377307     12.74897007    -14.19222867
  H     11.71266804     14.99924526    -14.87831602
  O     11.04760154      8.61578432    -11.68400742
  H     14.33186992      9.75741368    -11.41410098
  H     11.90488704     14.43761311    -16.29746544
  O     13.29705509     10.56496411    -14.30815836
  H     13.28338652     10.89628013    -11.17618578
  H     14.19920447     12.13052498    -14.07231076
  O     15.93544440     15.76546874    -11.07643325
  H     18.10187792     14.04660895    -13.87980520
  H     14.87525783     13.47806335    -14.53534554
  O      9.56967406     10.81953701    -12.48790157
  H     19.53691106     13.47860420    -13.99847477
  H     16.71216712     11.46090893    -16.10224988
  O     14.97451836     14.98323870    -15.54938050
  H     11.91733737      9.03551381    -11.58875127
  H     17.75649330     12.44206981    -15.48680266
  O     13.92301226     12.04842278    -17.82493916
  H     11.18096840      7.68778878    -11.51095914
  H     12.29900838     12.56002298    -17.52032080
  O     11.06793454     14.27444033    -13.16121627
  H     12.42826713     10.95513950    -14.47716231
  H     10.90727764     12.89029796    -18.11174989
  O     16.04868892     13.91967238    -17.92372873
  H     13.32441721     10.29781138    -13.37909788
  H     16.66459648      9.24290567    -10.52023533
  O     13.58336033     14.71237866    -12.17764309
  H     15.93756005     14.90318073    -10.62381251
  H     16.45086042     10.28259741    -11.63294052
  O     12.22631058     15.11208538    -15.68621888
  H     16.14238623     16.42340593    -10.41815775
  H     15.43500265      9.23257808    -16.29066637
  O     14.76874771     12.85936987    -13.79973922
  H      9.99191365      9.98585051    -12.23518445
  H     14.57290560     10.21414319    -15.46836401
  O     17.31888560     12.18321820    -16.30595660
  H      9.92194222     11.05985357    -13.35374339
  H     16.07538350     12.21999665    -12.79636786
  O     11.40814851     12.88689517    -17.30067447
  H     14.02026003     15.13850606    -15.61674119
  H     17.60778249     12.25979485    -12.72582653
  O     16.08972801      9.46738728    -11.24797636
  H     15.30197576     14.74436571    -16.42468643
  H      9.42979886     13.03552362    -10.23986736
  O     15.27691206     10.16086990    -16.13658790
  H     14.59807373     12.72097044    -17.97953542
  H      9.89137988     12.09625773    -11.37857981
  O     16.83147883     11.91475306    -12.27050901
  H     14.36302270     11.34028299    -17.34072554
  H     16.70036169     15.60942913    -12.82980800
  O     10.15375415     12.86201086    -10.83511907
  H     10.60604757     13.92290198    -12.39072311
  H     16.32930731     15.42111625    -14.32665766
  O     17.06730899     15.42223143    -13.70171165
  H     11.93591459     14.55002406    -12.82817331
  H     16.20533926     12.73321573    -10.70912706
  O     15.77118468     13.25082245    -10.01668377
  H     16.59240072     13.31320178    -17.38651975
  H     14.87221429     12.91000467     -9.94735003
          69
 Energy    -247.97151574594366     
  O     16.41857266     10.71087217    -10.85884480
  H     17.34180993     10.42558967    -10.90340754
  H     13.27488628      9.95631318     -7.19201443
  O     14.56819674      5.17911413     -7.20776045
  H     15.90743453     10.23354892    -11.52655462
  H     15.54890576      7.19249816     -9.35253864
  O     16.64239719     13.27716931     -9.98785448
  H     14.60858223      4.37029390     -6.70536147
  H     15.26173953      5.75748601     -8.82696891
  O     12.35617750      6.84804434     -7.99066847
  H     14.94636471      5.87975945     -6.64612254
  H     18.29458659      7.84016122    -12.38950610
  O     14.76003401      9.32576671    -12.56150773
  H     16.42056762     13.90547243    -10.66943915
  H     18.89098514      9.25091244    -12.32044551
  O     19.14192276     10.10261066    -10.68588285
  H     16.49029889     12.39019253    -10.36099030
  H     18.06041041     11.57578449     -5.70046780
  O     17.75356247      6.39387904    -11.25616218
  H     12.69403069      7.65339711     -7.57398157
  H     17.04031800     11.55499888     -6.86237677
  O     11.60999007      7.53703085    -10.49287006
  H     12.97717621      6.15349842     -7.74555960
  H     16.76062403      8.94509372    -15.56939003
  O     15.62951513     12.29307640     -7.55551539
  H     14.50779111      8.43242714    -12.28731759
  H     17.27737630      8.73771309    -14.12460928
  O     12.78621393     10.14369921    -10.61354032
  H     15.24817319      9.22021532    -13.38794143
  H     16.44762227      8.79622288     -8.28453528
  O     12.96730382     11.52512873     -8.26239667
  H     19.27193102     10.86221971    -10.09934241
  H     15.87898452      9.58907806     -9.50565420
  O     13.68390398      9.10396509     -7.00996424
  H     19.30967761      9.30467002    -10.17030612
  H     18.38258360     12.75634366     -9.29649097
  O     15.56374749      6.25342328     -9.59603513
  H     17.04629312      6.27892284    -10.60414148
  H     18.81797017     11.90814519     -8.09120928
  O     18.53211736      8.60010113    -12.93629521
  H     17.34441584      6.14327071    -12.09778451
  H     14.89712351      7.99439668     -6.00439419
  O     17.89877751     11.20283435     -6.56358694
  H     10.69267472      7.31226466    -10.62301637
  H     16.39822623      7.65285430     -6.16255192
  O     16.48219669      8.71130363    -14.68853703
  H     11.84443568      7.25036885     -9.59162958
  H     13.08435262      6.92807760    -11.47700497
  O     15.68727798      8.88443064     -8.87644961
  H     14.72403751     12.01696743     -7.73765172
  H     14.49348276      6.47778602    -11.03747125
  O     19.11335142     12.22706372     -8.95297563
  H     15.92229817     12.76851977     -8.34421727
  H     20.22494597      7.13699096     -9.31834054
  O     15.55674823      7.30771985     -5.83753251
  H     12.31877132      9.30037417    -10.55968637
  H     18.85711481      7.11738185    -10.02978056
  O     13.97104884      6.74239692    -11.80887539
  H     13.41294764     10.04453174    -11.33897800
  H     18.44673213      8.18912807     -7.81427242
  O     19.38697652      7.59229946     -9.36768274
  H     12.92249482     11.06347383     -9.11854231
  H     17.97969821      9.40772501     -6.93291628
  O     17.80666869      8.48130844     -7.15415042
  H     12.23026142     12.12982438     -8.24205276
  H     15.31463015      6.16267478    -13.05183696
  O     16.16534888      6.07175023    -13.50193277
  H     14.36092152      9.01267147     -7.70071100
  H     16.24215811      6.85273158    -14.06211662
          69
 Ord_Energy   -247.971451    
 O   -3.99433947     -0.356449872       6.88612413    
 H   -4.58671474     -0.138302416       7.60095501    
 H   -4.14805269      0.301431715       6.18458843    
 O   -3.53977251      -2.59094501       5.28508425    
 H   -3.83888173      -1.89050210       5.87990093    
 H   -4.19898129      -2.72384095       4.59142876    
 O   -1.14579284       2.54023600       1.31412327    
 H  -0.230560362       2.22287464       1.42433572    
 H   -1.09551930       3.37683272      0.859598517    
 O    3.67880607     -0.446864337       3.73440552    
 H    3.01956654     -0.918578565       4.25988436    
 H    3.51844239      0.484849781       3.92912173    
 O   -1.23610985      -1.93523872      0.202334046    
 H  -0.489278764      -1.81951976     -0.400502205    
 H   -1.75794041      -1.11774790      0.190357372    
 O   -2.88211346      -3.78827548       1.57908225    
 H   -2.40641689      -3.20698762      0.971060812    
 H   -2.20746565      -4.29031467       2.05069137    
 O   -5.08042145      -3.00362253       2.95265436    
 H   -5.81549692      -3.56468153       2.72166753    
 H   -4.31802464      -3.30888200       2.42648602    
 O   0.140597448      -2.37568665       2.49651742    
 H   -2.56452393E-02  -3.30540156       2.70403361    
 H  -0.328135878      -2.18729234       1.66619396    
 O    1.16297996      -1.47323179      -1.10956192    
 H    1.58154392      -1.06556094      -1.86368191    
 H    1.72911036      -1.27247918     -0.348193914    
 O    1.34452796       1.64412796       1.79100108    
 H    1.66916203      0.765936315       1.55948615    
 H    1.79503715       1.89106727       2.60715342    
 O   -4.33499193       1.36693728       4.82224274    
 H   -3.47285271       1.75483835       4.61970329    
 H   -4.59240484      0.897292078       4.01813841    
 O    2.58368516       2.14207935       4.32997751    
 H    1.84425986       1.84234214       4.88557625    
 H    2.92690921       2.93381429       4.73628521    
 O   -1.95097518     -0.904830396       3.70962667    
 H   -1.27142799      -1.41571641       3.25882697    
 H   -2.39558315      -1.50319338       4.32432318    
 O    1.27824950      -1.43764567       4.94090271    
 H   0.890501916      -1.75077891       4.11494112    
 H   0.934239268     -0.546385944       5.10002041    
 O   -2.70176244      0.355753601      0.350026250    
 H   -2.21150303       1.13484526      0.640121996    
 H   -3.44291902      0.251192361      0.959581017    
 O  -0.706042588      -4.94138002       3.08000016    
 H  -0.965972304      -4.80556107       4.00981855    
 H  -0.359785140      -5.82650471       3.01107597    
 O   0.377070636       1.15040874       5.62678099    
 H   -9.63023528E-02  0.756010532       6.37410355    
 H  -0.304751247       1.52102065       5.04749107    
 O   -4.41336155     -0.285060644       2.51322579    
 H   -4.86044407      -1.13825071       2.55627036    
 H   -3.51741862     -0.462819517       2.83971739    
 O   0.288305372      -2.74174070       7.14547825    
 H   0.723192871      -2.32566500       6.38151884    
 H   0.977978110      -2.96198106       7.76716900    
 O    2.34541988     -0.994580746       1.37286735    
 H    2.98243403     -0.831755936       2.08340931    
 H    1.65238583      -1.54433382       1.76165771    
 O   -1.13725579     -0.243872523       7.44147587    
 H   -2.08761311     -0.301405907       7.29096508    
 H  -0.801204979      -1.14772391       7.45916128    
 O   -1.43476927      -4.35460806       5.58995771    
 H   -2.24034524      -3.81931543       5.55245638    
 H  -0.843661606      -3.90068841       6.20219755    
 O   -1.69743395       1.82607579       3.96706986    
 H   -1.76050484      0.860094547       3.88379145    
 H   -1.56141114       2.17262197       3.07677484    
          69
 Energy    -247.97133371553065     
  O     -6.32573547      1.91601559      1.08176235
  H     -5.41402638      1.66544036      0.85049437
  H     -1.08561888      1.24591897      2.80216721
  O     -4.38167295      3.92347908     -1.85274518
  H     -6.42658926      2.83847568      0.80834896
  H     -1.96291262      3.76331565      0.13614608
  O     -2.23339163     -2.46353925      0.07758197
  H     -3.44947600      4.17782452     -1.81907529
  H     -2.79096409      4.02722238      1.45158010
  O     -1.28723352      1.33903520     -2.46669952
  H     -4.38044712      3.01065988     -2.15849335
  H      1.15715349      0.07574076     -0.66011939
  O     -4.01978346      1.03848692     -2.22422623
  H     -1.94923694     -3.36662626     -0.03434244
  H      2.16276149      1.12801943     -0.18234739
  O     -4.14183734     -1.81461325     -1.71648633
  H     -2.90529186     -2.28824987     -0.60611104
  H      2.44329872      2.81561644      1.82551821
  O     -1.58595109      4.01668027     -1.61183445
  H     -1.10674810      0.82087651     -1.66764188
  H      1.07854411      2.15154130      1.54977148
  O     -0.64422050     -0.13889359     -0.18485945
  H     -0.42992586      1.50219809     -2.87905433
  H     -5.91489288      0.92492912     -1.99409598
  O      1.40724975      1.85729436     -3.12923040
  H     -3.93975360      1.08278484     -1.25518741
  H     -6.78710188      1.25647427     -0.76521550
  O     -6.31596443     -0.96743784      1.59999860
  H     -3.11558187      1.11381002     -2.55926896
  H     -2.90197868      0.07724051      3.35004517
  O     -3.59750675     -1.03662788      2.07569281
  H     -4.08337366     -0.91083055     -2.04581143
  H     -3.31314190      1.46895664      3.83805917
  O     -0.53556088      1.55279498      2.06882265
  H     -5.07260650     -1.96174686     -1.50663169
  H     -7.65004100     -2.32316121     -1.42560535
  O     -2.15354841      3.43795761      1.02504763
  H     -0.65690130      4.25804460     -1.48402332
  H     -6.97209477     -0.93528856     -1.31630676
  O      2.01214492      0.47314500     -0.87615591
  H     -1.55938013      3.10650440     -1.93902793
  H     -3.18735420      1.98544556      0.72132521
  O      1.88002835      2.49797560      1.12386725
  H     -1.12371890     -0.96380235     -0.04747150
  H     -3.58342096      0.49341548      1.04438370
  O     -6.79087156      0.79065829     -1.60859187
  H     -0.65504261      0.36204527      0.64238641
  H     -4.50610612      4.09313754      2.84927297
  O     -2.56643442      0.86257847      3.80727157
  H      2.02739977      1.72983527     -3.84175959
  H     -4.91170698      4.81707050      1.54842987
  O     -6.90339786     -1.86814614     -1.04520037
  H      1.71574283      1.31045729     -2.38392436
  H     -6.76185678      5.18945843     -0.20026311
  O     -3.76886081      1.25282817      0.47779359
  H     -6.54759661     -0.03688154      1.50698457
  H     -5.52906157      4.35244213     -0.61510594
  O     -4.22061038      4.76789816      2.22052635
  H     -6.56558658     -1.38430515      0.76524424
  H     -5.68279825      2.29119561      4.38806174
  O     -6.15732716      4.52071171      0.11043524
  H     -4.55523561     -1.14330736      1.97267633
  H     -5.61674074      2.19216467      2.85436589
  O     -5.10537255      2.43241967      3.63975144
  H     -3.15603153     -1.65993517      1.48719538
  H      1.40265652      3.61240896     -0.41900999
  O      1.13305109      4.04232804     -1.23927676
  H     -1.01482466      2.31383916      1.70261601
  H      1.31978299      3.40642692     -1.94139167
          69
 Energy    -247.97121652468422     
  O     13.82129615      3.07310532    -12.49601945
  H     14.41082807      2.53990394    -13.02273176
  H      7.98217459      6.90487147    -11.49802486
  O     13.28365426      2.21802380     -7.92352716
  H     12.99261165      2.56653477    -12.40061673
  H     11.97932846      6.11159653    -10.81270403
  O      9.06570044      3.09027071    -12.96011198
  H     12.60455000      2.75005021     -7.46923272
  H     12.54091287      4.88322153    -10.05205662
  O     14.68964332      8.59255391    -10.80302921
  H     13.75195438      1.73400563     -7.24866473
  H     13.65833645      7.43244539     -6.00347473
  O     11.15875665      6.32881520     -7.64183442
  H      8.30704158      2.65379013    -13.34035490
  H     12.66461240      7.04362483     -7.12299550
  O     11.50947018      1.76793540    -12.17950686
  H      9.32028906      3.79698231    -13.57510534
  H     11.94049014      1.36512516     -9.00204879
  O     14.11853412      4.02278418     -9.88178349
  H     15.50545809      8.94279262    -11.14949842
  H     10.40883188      1.46383423     -9.07442703
  O     12.43821176      5.25003445    -13.78535819
  H     14.92433299      7.83637988    -10.23309930
  H     13.20433332      8.96483278     -8.05199006
  O     10.12881040      8.64160202    -11.47750877
  H     11.36414853      6.04423330     -8.54435689
  H     13.59211447      9.39325159     -9.47682386
  O      8.37919514      7.24740163    -13.29747901
  H     10.38876267      6.91214163     -7.70077854
  H     14.86698527      5.63738387     -9.37035944
  O      9.06602798      2.57705708     -8.25506261
  H     11.36513699      1.46942765    -11.26854283
  H     14.66111533      6.75932692     -8.31654424
  O      8.16973021      6.80554733    -10.55380687
  H     10.67652189      2.13825834    -12.48703337
  H      9.17222546      3.82349055    -11.27421493
  O     11.74670632      5.41728361    -10.18323372
  H     14.11480652      3.63902713    -10.76911713
  H     10.18213388      4.59634203    -10.36921760
  O     13.53124881      7.45012558     -6.94831559
  H     13.91627062      3.32735936     -9.24186543
  H     11.69740513      7.91184561    -11.89054245
  O     11.17700623      1.09523361     -9.52630403
  H     12.53689560      6.03505782    -13.22714986
  H     13.24907015      7.84997621    -11.66866482
  O     13.01128436      9.61436191     -8.73886107
  H     12.94981564      4.54789717    -13.36939077
  H     10.46083375      3.26978296     -7.19170413
  O     15.13242896      6.53449806     -9.12860797
  H      9.54633590      7.98030400    -11.07703599
  H     11.20577732      4.60289715     -6.98107989
  O      9.28070812      4.24058719    -10.41083303
  H     10.22668678      9.33532131    -10.81347385
  H     11.37115754     10.08766578     -9.03621314
  O     12.48962142      7.37010498    -12.02042552
  H      9.01603722      7.91231404    -13.00746840
  H     10.32023295     11.22343223     -9.03718985
  O     11.27173366      3.65067509     -6.83102238
  H      8.89450323      6.56433174    -13.74248294
  H     10.82866993      5.18128452    -14.33450264
  O     10.44409985     10.30151791     -9.24520077
  H      8.15475176      2.44594299     -8.00704843
  H      9.88046693      5.24186242    -15.55533917
  O      9.89306070      5.14193058    -14.60688440
  H      9.06763233      3.19655258     -9.00504843
  H      8.58835926      7.64394525     -8.90595848
  O      9.06544172      8.01587363     -8.15194399
  H      8.47458331      5.89582707    -10.43761387
  H      9.44857471      8.84731857     -8.45735543
          69
 Energy    -247.97106907728045     
  O     15.19608583      5.91185793     -8.17845743
  H     14.26638841      5.71098744     -8.38855760
  H     12.28332935      6.37810758    -14.97176065
  O     13.46131374      5.60824783    -16.08620971
  H     15.31337326      5.72152854     -7.25146171
  H     16.75833062      8.72164620    -12.49581586
  O     16.85751668      7.01615985    -15.30292853
  H     13.95980470      6.25550830    -16.60078856
  H     15.37308864      8.23395575    -13.02805478
  O     15.05211048     11.07669493    -14.13669209
  H     14.11694843      5.01213970    -15.70718152
  H     13.59020318      7.91675725    -11.87360863
  O     10.58899484      5.95231177    -11.91426141
  H     16.68150004      7.66763181    -14.60979676
  H     13.19202084      7.21218333    -13.20678452
  O     16.49739872      4.57855729    -10.33865372
  H     16.33143592      7.26523340    -16.07333153
  H     12.03627952      6.14453291     -9.03646784
  O     12.16913200      3.71802463    -11.10986580
  H     15.51089372     10.28359815    -13.81030230
  H     12.44929785      4.74799714     -9.53741763
  O     17.77613955      8.49530262    -11.01959156
  H     15.66430629     11.80356650    -14.05922929
  H     19.43063098      4.97488838    -14.91313742
  O     12.49832851     10.66275832    -12.89693818
  H     10.91989069      6.22450061    -12.78083103
  H     18.13894688      5.80566331    -14.78661016
  O     13.76396333      9.74438665    -16.28906508
  H     11.02256278      5.11512122    -11.70752660
  H     14.86295267      4.48124333    -13.10726590
  O     11.25179312      9.50264988    -14.98780923
  H     15.77468387      4.53448172    -10.97791796
  H     14.27673390      5.63499698    -12.26388580
  O     11.79165793      6.84501923    -14.28005563
  H     16.12414926      4.99489523     -9.55245220
  H     14.58186706      8.41330699    -16.99628295
  O     16.16459792      8.74677276    -13.25726074
  H     12.99291496      3.98295498    -11.55514570
  H     15.12552307      7.75909884    -18.28935432
  O     13.91982385      7.35275301    -12.58602323
  H     12.09976027      2.77123165    -11.19756602
  H     16.62349258      4.11617162    -14.60089639
  O     12.62814868      5.40485728     -8.85368339
  H     18.04964869      7.58357063    -11.23469916
  H     15.94830871      5.43933064    -14.88219938
  O     18.63277914      5.06495566    -14.39743064
  H     18.54220355      8.93352962    -10.65997333
  H     17.81672499      5.42180986    -11.18813942
  O     14.43371504      4.67859634    -12.26598465
  H     13.36714839     10.91689117    -13.23006530
  H     18.55314794      5.60204049    -12.54684700
  O     15.05159736      7.63464819    -17.34710270
  H     12.64896599     10.20546234    -12.05805004
  H     10.05732332      7.73265485     -9.35789885
  O     15.75212455      4.50452000    -14.71441066
  H     14.22940763     10.28217866    -15.63664649
  H     10.72901343      6.98684784    -10.53710328
  O     18.43335049      5.99100997    -11.67492266
  H     12.86029484      9.65728129    -15.96188574
  H     15.35662182      7.60307150     -8.96711734
  O     10.90500319      7.50015055     -9.72681899
  H     11.62788697      9.93410865    -14.19801960
  H     16.19644690      8.47116893     -9.92743731
  O     15.37191730      8.45110107     -9.42887349
  H     10.42417093      9.93763546    -15.17313620
  H     12.29162297      8.62224758    -10.22309965
  O     13.01842517      9.10213587    -10.63957527
  H     11.53633590      7.71361716    -14.61524103
  H     13.82523960      8.95603926    -10.12059936
          69
 Energy    -247.97098707672399     
  O     15.52208128     11.20527045    -16.32477979
  H     14.80526970     11.38776193    -15.70544064
  H     17.40282244      7.18950059    -10.87839685
  O     15.62195104      5.33539539    -13.65651236
  H     16.31446072     11.68839600    -16.04033904
  H     19.17074888     10.28410800    -17.70118291
  O     19.00668202     11.92701161    -10.24840833
  H     15.86311187      5.55261853    -14.56825215
  H     20.47318843     11.10458924    -17.52839231
  O     19.29691433      8.46026647    -15.50815541
  H     16.31575264      5.68445868    -13.08657953
  H     17.44917641      8.82061616    -15.22675101
  O     13.94824774      7.80491295    -17.43751773
  H     19.56768011     12.56836244     -9.82178153
  H     16.16723154      9.64681783    -15.56620552
  O     17.52865581      8.15045116     -9.22985357
  H     19.44333256     11.06106452    -10.15609649
  H     12.64432557     11.90057674    -14.51584513
  O     15.19177092      8.50171455    -12.71856000
  H     19.58070883      9.28201781    -15.92965830
  H     13.19547885     10.46246854    -14.64797306
  O     17.95044358     11.33969140    -12.79536311
  H     19.42877138      8.53997281    -14.55271771
  H     13.14989783      8.50700002    -15.97244827
  O     13.23673534      6.61254641    -13.31085094
  H     14.43351606      8.44707094    -17.96859660
  H     12.83292356      8.06651586    -14.53299741
  O     18.62900917      6.67663275    -17.47338324
  H     14.59690868      7.14805938    -17.15502799
  H     19.24387198      8.87766652     -9.72167452
  O     16.09853687      6.36412370    -16.23974706
  H     17.08498707      9.00443883     -9.37865674
  H     19.90682004      9.12024397    -11.08470940
  O     17.28180275      6.99295399    -11.81574520
  H     17.27665625      7.86183604     -8.35652435
  H     18.54521660      8.12607667    -12.51663957
  O     19.72775968     10.75060922    -17.05092257
  H     15.59702201      8.62174177    -13.59274765
  H     18.69801987      9.65328646    -12.82638431
  O     16.49210749      8.85890239    -15.11319479
  H     14.42980547      7.92072802    -12.83027734
  H     17.28603095     11.19946155     -9.77100117
  O     13.44393131     11.38503274    -14.44989417
  H     18.35918711     11.68693204    -11.99255417
  H     15.92853882     10.89873911    -10.42796333
  O     12.83520066      8.83265185    -15.11605456
  H     16.99697362     11.31349552    -12.63117645
  H     17.21470746      9.43658394    -18.76444263
  O     19.94811671      9.37771804    -10.15388825
  H     14.02618273      6.06027169    -13.45452496
  H     18.24121117      8.32504567    -18.43095151
  O     19.16650430      8.80527842    -12.81700539
  H     12.59200495      6.05967533    -12.87814588
  H     15.18247726     10.17143900    -12.26604720
  O     16.49750173     10.64799047     -9.69008557
  H     19.33056937      6.06238469    -17.67459631
  H     14.60013954     11.44574557    -12.87346261
  O     18.15868259      9.25447013    -18.67486847
  H     18.93936719      7.22333857    -16.72988558
  H     18.57732867     11.80687012    -15.97370730
  O     15.21910473     11.14063045    -12.20195128
  H     16.91036280      6.28224972    -16.75355618
  H     18.00372794     11.97279863    -14.53936157
  O     17.87218485     12.22352360    -15.46384481
  H     16.13315825      7.25036893    -15.84603338
  H     15.41182296     10.45077792    -17.89962323
  O     15.41372693      9.92528644    -18.71918678
  H     16.51269870      7.52060906    -12.08407755
  H     14.98433036     10.45455479    -19.38703074
          69
 Energy    -247.97095522886428     
  O     -4.45904023      0.37356096      3.27117613
  H     -3.76207531     -0.27777885      3.10411821
  H     -2.77927765      1.48634484     -1.69184733
  O      0.20304191      2.84810038      2.44369468
  H     -4.02613839      1.20939306      3.48296630
  H     -5.08587944      4.56680369      1.43944208
  O     -2.44051756     -1.38039839      2.63913692
  H      0.49463845      1.99946331      2.08881571
  H     -4.97565197      4.15772841     -0.03990408
  O     -4.57679640     -1.10170633     -2.55562164
  H     -0.52152561      3.15135569      1.87886036
  H      1.75594573     -0.14414948      1.38820032
  O     -2.75410012     -2.81382527     -1.11372116
  H     -1.78290436     -1.12504954      3.30272020
  H      0.24493321     -0.24747261      1.09363098
  O     -4.73228770      0.73111235      0.52394394
  H     -2.03957236     -1.19300295      1.78066664
  H     -5.97053818      4.60526072      3.77628450
  O     -7.95252043      1.46480211     -0.52946892
  H     -3.91863532     -1.66908177     -2.13807334
  H     -4.94407929      3.53299968      3.36799121
  O     -3.28180008      2.86938724      3.53496336
  H     -5.37107951     -1.17448773     -2.00825901
  H     -2.90580998      3.99578740      0.84736412
  O     -4.09382844      1.51295627     -3.07386687
  H     -2.53524720     -3.66620546     -1.48165904
  H     -2.16866447      2.72359425      0.35508673
  O     -6.56957150     -1.01566119     -0.59620407
  H     -3.28417191     -2.98436521     -0.31331902
  H     -6.16509487     -0.20732877      3.33579908
  O     -6.87811714     -2.69655050      1.64845477
  H     -4.74281568      0.71023006      1.48802196
  H     -7.49086758      0.38656881      2.84730494
  O     -2.43864809      1.32361653     -0.80509779
  H     -5.12417577      1.55345945      0.19901154
  H     -0.41242358      2.67447943      4.05605471
  O     -4.55132089      4.69120144      0.64923619
  H     -7.65132401      0.54931876     -0.60763749
  H     -0.38144916      2.92251234      5.58509137
  O      0.90178730      0.17305170      1.67205075
  H     -7.99944593      1.65603283      0.41514041
  H     -0.62292296      0.57856124      4.54552368
  O     -5.82671417      3.88491303      3.16559622
  H     -2.89632052      3.02158207      2.65893542
  H      0.13122567     -0.15302839      3.42145062
  O     -2.16037385      3.40659037      1.03808508
  H     -2.54133527      2.77804803      4.14735256
  H     -8.71075532      2.59540970      2.57529457
  O     -7.08255431     -0.43937652      3.12781747
  H     -4.05485625      1.66406322     -4.01407942
  H     -7.17933269      2.75536785      2.56907216
  O     -0.87115654      2.48250546      4.89556940
  H     -4.28014611      0.56421480     -2.94852464
  H     -5.02885971     -3.03888592      1.39860765
  O     -0.44952301     -0.29657565      4.17983713
  H     -5.88164595     -0.46575102     -0.18730625
  H     -3.59574961     -2.66067063      1.86364945
  O     -7.90306253      2.18211017      2.27500317
  H     -6.78240008     -1.69389793      0.05480875
  H     -1.56018996     -1.60829839     -0.33289147
  O     -4.09275238     -3.16176517      1.20371578
  H     -7.00034137     -1.91339021      2.21472829
  H     -1.49879669     -0.06754816     -0.24450340
  O     -1.14305139     -0.88073524      0.14498081
  H     -7.50229942     -3.35199850      1.94766141
  H     -6.55084967      2.45659421     -1.04175714
  O     -5.66557284      2.84916276     -1.08468804
  H     -3.20755142      1.02107894     -0.29218123
  H     -5.20246991      2.46202503     -1.83736660
          69
 Energy    -247.97091573343147     
  O     -3.20502635      3.84126206      2.84122849
  H     -3.05433529      3.75925102      1.88863999
  H     -3.83863888      0.81758910      0.17525616
  O     -0.53545976      0.40322490      2.75488489
  H     -3.07810070      2.95942864      3.22595147
  H     -6.38001442      3.24965950      1.87478547
  O     -4.45776582     -2.38500564     -0.28174049
  H      0.07573735      1.14349224      2.84623883
  H     -5.98043700      3.46483855      0.39590675
  O     -1.82342041     -2.65234569      0.27296373
  H     -0.69638345      0.29137933      1.80603967
  H     -0.17921148      1.77883596     -0.05248518
  O     -4.66520708      0.66591578      1.71885747
  H     -4.98363741     -2.32958863      0.52963015
  H      0.43002561      2.77747986      0.94922673
  O     -5.88576296      3.90447334      3.56698205
  H     -4.86377349     -1.76441757     -0.89618249
  H     -3.01839405      2.68330461     -0.25266240
  O     -8.16437147     -0.38592949      2.64226660
  H     -2.76819105     -2.57153657      0.04870859
  H     -1.69664701      3.40426503      0.08135903
  O     -2.95585176      1.26781635      3.72779911
  H     -1.53218709     -3.49155949     -0.07347959
  H     -5.05609095      5.06180395     -1.44398928
  O     -5.73819492     -0.31995832     -1.83623805
  H     -5.33468040      1.33003177      1.50928750
  H     -4.13998662      4.40234536     -0.40024211
  O     -5.83887505     -1.84491870      2.05074043
  H     -5.09336886     -0.19643179      1.80258403
  H     -3.90029331      0.67402769      5.09570907
  O     -4.33360632     -2.20036984      4.26673123
  H     -4.94336160      3.96878470      3.34095108
  H     -4.17694854      0.42415876      6.59708082
  O     -3.51575844      1.01279285     -0.71964650
  H     -6.13909319      4.75071948      3.92787889
  H     -1.60325160      4.54197884      3.36822162
  O     -6.37368946      2.82681222      1.00855113
  H     -8.99719072     -0.61879749      3.04412199
  H     -0.67323997      5.74043339      3.61063586
  O     -0.01957739      2.71983710      0.09818605
  H     -7.72277813      0.22753287      3.25579145
  H      0.44316951      3.50282878      3.11614717
  O     -2.65818814      3.50598266      0.11093291
  H     -3.56968433      0.99317945      3.02612264
  H      1.88900106      2.95423667      3.09779086
  O     -5.05636098      4.67158386     -0.57347247
  H     -2.07925315      0.94885626      3.47615059
  H     -6.55496775      2.18328805      4.16127936
  O     -4.53955767      0.29602640      5.72422075
  H     -6.17632560     -0.45254186     -2.67259086
  H     -6.12707323      0.89593234      4.88787204
  O     -0.68993343      4.78678908      3.58203273
  H     -6.42611134     -0.04280596     -1.20540766
  H     -1.25530376     -1.34659605      3.13763325
  O      1.00240843      2.77565648      2.79468290
  H     -6.71234354     -1.51641211      2.29084651
  H     -1.82092703     -2.40167167      2.17875188
  O     -6.83424639      1.28166941      4.35501507
  H     -5.35961316     -2.06224008      2.86720286
  H     -1.14158579     -0.93293342      0.04506682
  O     -1.80757878     -2.13627221      3.10646372
  H     -3.42237273     -2.21296735      3.93493324
  H     -1.84732819      0.37548331     -0.33721467
  O     -1.01857337      0.02504270      0.01906813
  H     -4.40149094     -1.45110627      4.86704918
  H     -7.29655929      1.44767029      0.23772999
  O     -7.58821846      0.56272293     -0.02466679
  H     -4.18100637      0.64073743     -1.30841067
  H     -7.88952101      0.15032340      0.79269903
          69
 Energy    -247.97079722381619     
  O     13.11482860     11.73806388    -10.50876120
  H     13.15648277     12.60820702    -10.93091083
  H     15.88545625     13.04165738    -17.78477526
  O     10.80966159     12.22300589    -15.18259799
  H     12.22358849     11.66488526    -10.14556819
  H     14.15749030     14.61113041    -11.40661766
  O     13.18094113      9.54250148    -12.25194457
  H     10.99066869     12.97987643    -14.60672328
  H     13.79134105     13.63472529    -12.55693233
  O     10.38182282     11.63442005     -9.88205288
  H     10.07083302     11.74398996    -14.78678749
  H     12.89874894     16.68865398    -15.88452525
  O     10.35337442      9.54162376    -11.84007943
  H     13.18847076     10.32055453    -11.67494959
  H     13.80349609     15.50348774    -15.48222442
  O     12.94336610     10.52125196    -14.81741581
  H     13.07648369      9.85089265    -13.16530144
  H     14.67261628     13.29018614    -14.52288354
  O     15.85242372     14.94846672    -10.63645955
  H     10.03721780     12.23320498    -10.56906153
  H     13.88504406     11.94511623    -14.28034388
  O      8.87168960     10.88630986    -13.67871769
  H      9.85376386     11.77774381     -9.10144578
  H     16.94263571     11.86219274    -16.27845264
  O     15.43003427     14.78263314    -15.31589490
  H     10.32248946     10.12635620    -11.07231654
  H     16.97455846     11.18428412    -14.88318405
  O     14.43652579     12.28618226    -18.27529164
  H     11.28834259      9.35465520    -11.98958590
  H     12.38111042     14.35442123    -16.79909557
  O     11.31755818     14.49422677    -13.58503696
  H     13.41610232     10.22155542    -15.60403876
  H     11.60502773     13.03271786    -16.68767465
  O     16.68837001     13.42089701    -17.37914866
  H     12.16646812     11.03672446    -15.07478041
  H     16.14092437      8.23966311    -11.78986620
  O     13.41664399     14.16562536    -11.83299109
  H     15.92114893     14.00788888    -10.38939516
  H     14.94061227      9.07892254    -12.25914176
  O     12.87826799     15.78000247    -15.59368150
  H     16.14528420     15.45436409     -9.88356150
  H     15.47067087     10.15685172    -16.48328788
  O     14.39008582     12.65011266    -13.85737521
  H      9.39106044     10.33079439    -13.06997202
  H     14.88519089      8.93819950    -17.23684742
  O     16.84650125     11.01650089    -15.82259909
  H      8.06591071     10.41276067    -13.86595841
  H     16.56480702     10.60251505    -12.74678591
  O     12.19694649     13.53097046    -17.26520202
  H     16.05321943     14.79209493    -14.57300326
  H     15.88289044     11.91553954    -13.23079407
  O     15.90734194      9.00897570    -12.30304109
  H     15.89380927     14.40680546    -16.07596862
  H      9.96109397     13.71703319    -12.48510549
  O     14.65849128      9.79306782    -16.88060264
  H     13.61632071     12.72032173    -17.99576902
  H      9.09828591     12.44084273    -12.56572018
  O     16.73200112     11.53629889    -12.95008942
  H     14.40448164     11.38589747    -17.93295764
  H     16.75368720     14.72546942    -12.30733168
  O      9.42485726     13.11418988    -11.95554950
  H     11.72351532     15.03336445    -14.27476353
  H     17.24591431     13.48019667    -13.06323651
  O     17.10401453     14.42945424    -13.15708854
  H     11.98105144     14.43985275    -12.88102836
  H     16.27732933     11.90402007    -11.05126448
  O     15.90031064     12.26472733    -10.24062653
  H     17.27451615     13.66169878    -18.09084806
  H     14.99196345     11.93800258    -10.19422608
          69
 Energy    -247.97071901357049     
  O     14.96959942     13.93778719    -15.48168531
  H     14.82529664     13.49440104    -16.32623839
  H     14.96408599     10.84010305    -15.03121386
  O     17.94277867      8.90406660    -16.53389290
  H     15.37691449     13.26762607    -14.90598866
  H     17.91339104     10.66464721    -16.89736045
  O     14.74063409      9.77539187    -11.61784048
  H     18.45821651      8.72396445    -15.73927498
  H     16.92286701     11.80087524    -17.21254356
  O     18.34228869     15.50942718    -13.62981615
  H     17.09736684      8.45620488    -16.39765737
  H     14.64938928     11.40257518    -16.97978193
  O     15.43070648      7.90434039    -15.69915559
  H     15.40360003      9.30835614    -12.14521190
  H     14.62877744     11.87972640    -18.45206848
  O     13.29722912      7.64820305    -10.63500585
  H     15.12666889     10.61752182    -11.34111880
  H     18.35479753     14.01822041    -12.43080715
  O     15.07434906      6.00443283    -12.17360446
  H     19.02535664     16.17169479    -13.69749586
  H     18.63108503     12.53929291    -12.69509644
  O     16.00654263     11.84718747    -14.02503379
  H     18.26526206     15.09808088    -14.50835641
  H     13.13322073     13.67105556    -12.77939879
  O     12.59510160     10.46275911    -13.36415105
  H     14.79217503      7.22437718    -15.44916743
  H     13.32921493     13.52383479    -14.29618355
  O     16.48491415      8.14974121    -13.12224542
  H     14.95115760      8.74485669    -15.74209083
  H     18.18635200      8.47371804    -13.49484727
  O     18.75962904     11.44925835    -14.23790653
  H     13.05983923      7.73437981     -9.71545113
  H     19.68956110      8.10813993    -13.45836562
  O     14.27469300     10.39704932    -15.55273400
  H     13.80149646      8.44584706    -10.87045320
  H     12.91404910      6.69863803    -14.15824755
  O     17.82102044     11.63081645    -16.90654343
  H     14.45686508      6.40497429    -11.54834644
  H     13.02006428      5.41099864    -15.00945751
  O     15.00867652     12.06334727    -17.59652240
  H     14.57560031      5.87709683    -12.99082107
  H     13.77703604     15.16746551    -10.78414338
  O     18.32136464     13.14947489    -12.01240243
  H     15.83966595     11.99671048    -13.08641340
  H     14.65476502     15.06679824    -12.05625794
  O     12.79680607     13.21059547    -13.55851448
  H     16.95593208     11.70270606    -14.12082525
  H     16.83046220     14.38533177    -16.00065726
  O     19.05771699      8.69436839    -13.86615076
  H     12.53009712     11.42807093    -13.40278548
  H     18.00682615     13.50522293    -16.42986725
  O     13.53751425      6.11491257    -14.62717129
  H     13.31340396     10.25865211    -12.74871504
  H     15.24310562     13.06413262    -11.19444945
  O     14.14370907     14.54767902    -11.40883915
  H     16.14026189      7.35077317    -12.69577789
  H     16.72716325     12.60579655    -11.38895886
  O     17.79288841     14.36803913    -16.05535736
  H     16.15478497      8.12733322    -14.03151047
  H     12.24190454      7.63291217    -12.24416425
  O     15.81600713     12.29136237    -11.27534330
  H     18.96193627     10.51745906    -14.07955891
  H     11.98253306      8.70386620    -13.31430071
  O     11.95270822      7.75027762    -13.15778142
  H     18.61229161     11.55045667    -15.18761992
  H     16.49560376     15.78373424    -13.38843443
  O     15.53011443     15.77106458    -13.37597798
  H     13.51694240     10.34521488    -14.95668592
  H     15.25986774     15.32682336    -14.18919912
          69
 Energy    -247.97068814366236     
  O     17.66862446     11.15640440    -14.53044563
  H     16.91135337     11.74985425    -14.46851997
  H     18.20102540      7.54249706    -10.30925410
  O     15.44489798      6.65216239    -11.52436525
  H     17.91954094     10.95237633    -13.61954214
  H     14.36311946     12.17072127    -11.17336774
  O     12.19797983      8.45395386    -13.61496728
  H     14.49080339      6.62658947    -11.38083886
  H     15.80250275     12.56661198    -10.81324201
  O     13.28725865     10.72551756    -10.82555359
  H     15.61243252      6.33996689    -12.42440778
  H     15.47220942      8.44139267    -11.81847904
  O     19.48038838      7.95951074    -11.69668474
  H     12.86113192      9.11799459    -13.85798363
  H     14.76817997      9.81977441    -11.54805933
  O     12.67329396      6.85475901    -15.92440559
  H     12.17809273      7.82636043    -14.34610826
  H     17.77483474      9.77227336    -15.57236176
  O     15.86906274      5.95944342    -14.16651480
  H     13.19846731     10.14445542    -10.06013019
  H     18.43391164      9.14891937    -16.82532187
  O     14.27315844     10.13275296    -14.35959433
  H     12.43411989     10.71811309    -11.28165661
  H     12.22941651      5.35438146    -11.67649722
  O     15.85455192      9.37918299     -8.66269055
  H     20.38514947      7.66660089    -11.63265580
  H     12.07335995      3.86369493    -11.34353125
  O     13.56819485      4.52459324    -14.45687848
  H     19.12772341      7.59667501    -12.52962046
  H     17.64210642      6.52610175    -14.03616538
  O     13.27490130      8.69188900     -8.92055321
  H     12.25735201      6.81719624    -16.78258534
  H     18.32497064      7.70607613    -14.75033408
  O     17.44280482      7.39521669     -9.73361105
  H     13.55624635      7.23605457    -16.06196433
  H      9.94143318     10.41621585    -12.18358317
  O     15.08645275     12.76037704    -11.42919156
  H     15.64238973      6.69289914    -14.75203181
  H     11.17553057      9.69306252    -12.74964683
  O     15.46017162      9.37731562    -12.05746835
  H     15.15760142      5.30825895    -14.26194341
  H     12.80434708      7.62435540    -10.41689791
  O     17.83154607      8.96168684    -16.11024403
  H     14.78010561      9.82508969    -13.58944255
  H     12.51824156      7.59880207    -11.95994719
  O     12.09496725      4.47981471    -12.07233724
  H     14.47067614     11.07215035    -14.43766621
  H     17.58059509     11.31052922    -10.44728517
  O     18.43382606      7.07985507    -14.02515918
  H     16.46721216      8.68935234     -8.96175429
  H     17.84496140     12.22673428     -9.23076998
  O     10.89504038     10.42258391    -12.17511138
  H     16.24075259     10.22019156     -8.92578622
  H     14.83356263      8.84534532    -15.45612790
  O     12.69911878      7.04952276    -11.18495345
  H     13.03732618      4.42441635    -13.65425076
  H     16.08166669      8.30025639    -16.17084485
  O     17.15235349     11.77872875     -9.71014164
  H     13.12873082      5.19991459    -14.98614505
  H     15.10465119     13.60688857    -14.46509780
  O     15.17034193      8.07790623    -15.94346329
  H     14.21942881      8.89430581     -8.78047627
  H     15.24390207     12.78771278    -13.16239478
  O     15.30168889     12.73515315    -14.13369808
  H     12.88536138      8.59938102     -8.05544264
  H     17.12828014      9.98082741    -11.94047995
  O     18.02921741     10.33637126    -11.86462344
  H     16.77044163      6.98272820    -10.29497496
  H     18.62180357      9.57939612    -11.77468787
          69
 Energy    -247.97063655758146     
  O      1.41541601      4.66556138      3.61278770
  H      2.18243162      4.58550363      3.03389164
  H      2.93010382      4.43902436      0.86138236
  O     -0.07314067     -0.23206285     -3.95469041
  H      1.08558499      3.76620177      3.73927325
  H     -0.75507165      5.37715104      1.04716000
  O      0.47916186      1.99410877      3.53688209
  H     -0.24120860     -0.66145812     -4.78993817
  H     -1.11652775      3.88082054      0.86208622
  O      1.26358129      4.43996749     -3.29496470
  H      0.37245489     -0.88699760     -3.38942839
  H      1.51702347     -1.50151279      1.70107654
  O     -3.89754910      0.90984843      1.96819565
  H      0.30932829      1.14406850      3.95871087
  H      2.43102119     -0.37763012      2.26662480
  O      2.77859034      1.51391307      2.00581161
  H     -0.26659816      2.15953385      2.94109300
  H     -2.70604294     -1.94208921      0.22590782
  O     -1.96506637      1.06039903     -2.29209810
  H      1.50605310      3.51112851     -3.46131327
  H     -2.79113517     -3.45443459      0.54379277
  O     -2.44606988     -1.07298347      3.08902886
  H      1.47050351      4.92693469     -4.08770309
  H     -0.53749112      4.01422933     -2.68578670
  O     -0.22076372      0.77896678     -0.17897657
  H     -3.42173390      0.20514317      2.44623655
  H     -1.29422157      4.13171138     -1.35431014
  O      2.28874361      1.76521448     -0.71415160
  H     -4.71998132      1.05222670      2.42834450
  H      2.13911111      1.63306157     -2.57513866
  O      0.08290454     -0.69330646      4.35596924
  H      3.21282845      2.37489248      1.96742662
  H      1.22247937      1.14038748     -3.71864580
  O      3.48054424      4.25841448      1.64153811
  H      1.97150993      1.65831804      2.52279160
  H     -3.05354334      0.02642477     -1.16846224
  O     -0.81690309      4.66978275      0.38912202
  H     -1.40711463      0.64627379     -2.96211776
  H     -3.69382956      0.05549990      0.24373269
  O      1.98543335     -1.20320743      2.49285231
  H     -1.83130931      2.02066605     -2.34084349
  H      0.24845046      5.83006158      2.93985961
  O     -2.27949639     -2.66892292      0.71656834
  H     -1.59414672     -0.96545580      3.52874618
  H     -0.66572004      7.05861458      3.09012262
  O     -1.33700394      3.72712409     -2.23103525
  H     -2.32192772     -1.71924617      2.38302946
  H      2.17967934     -2.19690292     -2.31140103
  O      1.87755252      1.80956969     -3.48964016
  H     -0.82909965      0.87114802     -0.92507076
  H      0.95617660     -2.00776534     -1.40317468
  O     -3.43998864     -0.53019331     -0.47999039
  H      0.63273240      1.14991259     -0.43832300
  H      0.88622451      4.58043240     -0.16756012
  O     -0.37986617      6.39964569      2.46393604
  H      2.12678405      2.71978403     -0.69016994
  H      1.70208291      4.64391339     -1.48485636
  O      1.25108065     -1.97624914     -2.32642053
  H      2.55897381      1.52476340      0.18224429
  H      0.13093770     -0.89608501      0.17645627
  O      1.78105659      4.50402830     -0.53289727
  H      0.31371143     -1.08953330      5.19230404
  H     -0.49304400     -2.28087909      0.45656137
  O      0.34727407     -1.83628180      0.28944130
  H      0.78140623     -0.94348113      3.72488788
  H     -1.05894581      1.72620213      1.03811880
  O     -1.51194020      2.31495935      1.66237772
  H      4.27577301      4.77562708      1.53986509
  H     -2.39722839      1.95612771      1.79365858
          69
 Energy    -247.97046909694652     
  O     14.36715850      9.66418278    -16.22456428
  H     15.07258684      9.17159363    -15.77688748
  H     20.74418457      7.50003672    -13.67823395
  O     16.95053852      6.66568044    -12.98418811
  H     14.66836614     10.58072818    -16.24932281
  H     18.19274167     10.28387473    -16.95457259
  O     17.94369228     10.69043265    -11.63590486
  H     17.56361930      7.01761471    -12.32547198
  H     17.02945704      9.84707513    -17.86769580
  O     19.16643702      9.43304409    -15.63918891
  H     16.80960421      7.36923804    -13.63870886
  H     16.38612501      9.54738149    -14.18113954
  O     15.55726780      5.90038693    -16.74740026
  H     17.59250399     10.81814127    -10.74545860
  H     17.44389955      8.94275313    -15.13676977
  O     14.14531991      9.94554923     -9.93085268
  H     17.21742812     10.89371585    -12.24411862
  H     12.84174849      9.23379525    -15.51541270
  O     14.37560703      6.91610675    -12.13652443
  H     19.52703290      9.92094183    -14.88845201
  H     11.29559160      9.14728953    -15.46374905
  O     15.85860724     11.10213397    -13.37308760
  H     19.61905047      8.57971764    -15.66994950
  H     16.96943365      8.92027084     -8.86461620
  O     14.45564449      7.16202527     -9.33263854
  H     15.20760721      5.15418678    -17.22977642
  H     17.66082893      7.79577403     -9.65026181
  O     20.32148376      6.89575193    -15.45372174
  H     14.89677139      6.11279261    -16.06588379
  H     12.99967697      7.20018681    -14.94996818
  O     17.99136301      5.54545609    -15.30280936
  H     14.11047436      9.02014653     -9.65620331
  H     13.84849022      6.48080915    -13.89982285
  O     20.86614460      7.93253734    -12.82393368
  H     13.85648860      9.95541080    -10.85174465
  H     19.40666646     10.76195584    -12.67220937
  O     17.46648787     10.62522946    -17.49306341
  H     14.32088400      6.87794770    -11.17458859
  H     20.67962343     11.47499873    -13.17888788
  O     16.59125676      8.76937245    -14.71643701
  H     15.29994998      6.73988275    -12.37143939
  H     18.37483310      8.87586996    -11.37654855
  O     12.08682198      8.93463529    -14.97657616
  H     15.01714741     10.67384015    -13.15456325
  H     19.48517754      7.83334929    -11.66886331
  O     17.01731996      7.96034745     -8.94729139
  H     15.76929521     11.55962541    -14.21872987
  H     15.70289678     10.57592264     -9.45325034
  O     13.65317785      6.50012589    -14.84561532
  H     14.16043473      6.61161526     -8.61254239
  H     16.52718776     11.44775148     -8.47627797
  O     20.14403392     10.69486107    -13.30097232
  H     15.39504269      7.36178883     -9.16757535
  H     15.93758087      7.49887113    -17.79458137
  O     18.63839191      7.95983691    -11.21703837
  H     19.50564209      6.36372036    -15.42954238
  H     15.19873183      8.82942736    -17.76530970
  O     16.60869093     10.80792357     -9.17840113
  H     20.94669469      6.41518056    -15.98940598
  H     13.95420799      8.64987818    -12.50356607
  O     15.92777240      8.37265952    -18.20360290
  H     17.22055043      5.64378595    -15.87450107
  H     12.97902371      9.45913196    -13.37663062
  O     13.65340147      9.55180073    -12.69429230
  H     17.66982754      5.72783272    -14.40885669
  H     16.40790860     11.63070713    -16.56713168
  O     15.74263003     12.10300532    -16.03139306
  H     20.79823306      8.87973687    -12.99583831
  H     15.65112186     12.97212520    -16.41147418
          69
 Ord_Energy   -247.970276    
 O   0.258930951       8.21949577       1.75433111    
 H   0.165839776       8.27457809       2.71377468    
 H   0.865664899       7.48831034       1.58796763    
 O   -2.24372578       7.57901478      0.870574594    
 H   -1.35959899       7.92731237       1.05374110    
 H   -2.25185966       7.15284491       1.15954003E-03
 O   -6.49011731E-02   8.13172054       4.61820793    
 H   -6.06422797E-02   8.89399910       5.19265938    
 H  -0.856140673       7.61750603       4.84679890    
 O   -4.86857271       7.30667114       1.69558239    
 H   -5.20790768       6.83946180      0.924301207    
 H   -3.97057390       7.57448149       1.45082366    
 O   0.465009183      0.970553160       4.72883177    
 H   0.832045078       1.86155701       4.80992842    
 H  -0.339485437      0.970588923       5.26308250    
 O   -1.80115473       3.39527893     -0.478222042    
 H   -1.10998428       3.64691710      0.144606963    
 H   -1.70432675       2.44191790     -0.603305399    
 O   -1.45259607       4.03601217       5.85600519    
 H   -1.77089477       3.13695526       5.98606205    
 H  -0.570809960       3.94703603       5.46867085    
 O    7.81157911E-02   3.78984046       1.71954131    
 H  -0.618052483       4.37840891       2.06288862    
 H  -0.184907153       2.87551546       1.89716768    
 O   -1.50822163      0.591159165     -0.245354995    
 H   -1.00963259     -0.118415087     -0.642648876    
 H   -1.16287923      0.707544744      0.656615078    
 O   -5.43629217       5.74425220     -0.669416845    
 H   -6.18921709       5.63601398      -1.24525881    
 H   -5.21466017       4.86134005     -0.329231173    
 O    1.91991019       5.88296223       1.46951151    
 H    2.61180162       5.71749926      0.832793832    
 H    1.34268653       5.10421801       1.46030688    
 O   -2.63320875       6.02602434      -1.37082851    
 H   -3.59376311       5.98495531      -1.27978992    
 H   -2.31388259       5.12433147      -1.24875748    
 O    2.07605386       6.24531174       4.33788538    
 H    2.17470074       6.21416235       3.37831640    
 H    1.40879011       6.92085934       4.51168776    
 O   -1.85106099       5.44040680       2.54940104    
 H   -2.00543475       6.16963816       1.93238366    
 H   -1.87305069       5.80831480       3.44219303    
 O    1.00658965       3.73750663       4.51426029    
 H   0.761698484       3.70913768       3.58364582    
 H    1.47801244       4.57630110       4.62593269    
 O   -4.17009687      0.609631419      0.919457018    
 H   -3.36578035      0.441850156      0.414856285    
 H   -4.46863317       1.48526835      0.640029252    
 O  -0.801466644       1.23561823       2.32894635    
 H  -0.242700264       1.00799894       3.08644199    
 H   -1.69874251       1.33051813       2.67743874    
 O   -3.37301755       1.40752757       3.43420887    
 H   -3.68614006       2.32362676       3.42538095    
 H   -3.74747014      0.978010416       2.65174460    
 O   -4.48632908       3.40452838      0.406940073    
 H   -3.56528926       3.42902350      0.110070109    
 H   -4.48429728       3.62627792       1.34953654    
 O   -4.14638710       4.03095102       3.09126711    
 H   -3.30542469       4.45055389       2.85207152    
 H   -4.62717438       4.70522499       3.58324456    
 O   -2.24153090       6.50304556       5.08349466    
 H   -2.03431106       5.64015961       5.48148108    
 H   -3.19233298       6.54876614       4.92754841    
 O   -4.97858858       6.45992470       4.25895977    
 H   -4.97125292       6.81295395       3.34944987    
 H   -5.75287342       6.81633759       4.68555593    
 O   -2.16116261       1.24649870       5.89934731    
 H   -2.63577056      0.699030757       6.51996613    
 H   -2.65526509       1.21263647       5.06332111    
          69
 Energy    -247.96981544815770     
  O     15.34413623     10.64657678     -9.95532272
  H     15.93467722      9.94636642     -9.65508182
  H     19.00481411      9.13827565    -11.87858209
  O     14.29836650      8.38779986    -15.47338282
  H     15.74803897     11.01395626    -10.75419361
  H     16.68715401      8.24066468    -13.59294477
  O     15.45440779      4.80833120    -12.41719465
  H     14.69651314      7.50768854    -15.43702833
  H     15.26548942      8.73731872    -13.90299957
  O     19.59457264      6.15295791    -12.95928545
  H     13.46001803      8.31864787    -14.99730500
  H     12.23497786     10.94744610     -9.81311696
  O     14.47260049     12.32536616    -14.31799302
  H     15.39971488      5.59125910    -11.85172737
  H     13.65251414     10.48189489    -10.22232907
  O     11.24600242      5.24478027    -10.84172113
  H     14.58423919      4.38210177    -12.41484076
  H     13.61444602      5.45360140    -15.18769993
  O     12.09698115      7.88426539    -13.85015938
  H     20.50488859      5.88255176    -13.04814366
  H     12.34114925      5.03644370    -15.95070152
  O     15.27556514      7.18277506    -11.02400663
  H     19.08897846      5.36295224    -12.69971765
  H     12.61134158     10.63105426    -12.29745105
  O     18.42894130      9.79176974    -15.81811598
  H     14.06661555     13.16886711    -14.49866411
  H     12.27631287      9.80602026    -13.55546573
  O     17.79066108      7.27532461    -14.78631978
  H     13.76794711     11.74285982    -13.98180319
  H     17.12453415      4.23081609    -12.32912252
  O     15.86183156     10.60314464    -16.11863593
  H     11.63870884      6.13174118    -10.84784461
  H     18.10950954      3.08687000    -12.04252964
  O     18.90558108      8.38087184    -11.28292454
  H     10.70140115      5.20243835    -10.05998762
  H     16.28573467      6.24176870    -15.11512108
  O     15.92961618      8.69669845    -13.20416817
  H     12.23138759      7.75655868    -12.90038403
  H     15.42036403      5.44647017    -14.12909217
  O     12.70419149     10.39062244    -10.42829765
  H     12.09360800      7.00284325    -14.24305141
  H     12.28254653      4.26789491    -11.98048896
  O     12.65203630      5.35673856    -15.10672011
  H     15.84352057      7.48937738    -10.30751251
  H     12.65561726      4.28392706    -13.47805549
  O     12.59623252     10.66628092    -13.26256072
  H     15.48130132      7.74675438    -11.78648169
  H     18.16905170     10.97601892    -12.82208264
  O     18.06896140      4.00643133    -12.29134437
  H     17.52188169     10.12546266    -15.94246692
  H     18.88112157     10.31068727    -14.01016825
  O     15.41551101      5.83048378    -15.01857977
  H     18.93890529     10.10642058    -16.55965910
  H     12.49843360      8.58578301    -10.77745364
  O     12.89981491      3.89915520    -12.62873376
  H     18.49477577      6.91693592    -14.23095525
  H     13.50230811      7.43133022    -11.00147100
  O     18.97225799     10.49737185    -13.06895441
  H     18.11626938      8.07963247    -15.21202346
  H     17.51974260      8.31006890     -8.48422729
  O     12.56746784      7.67233668    -11.08091388
  H     15.27616409      9.83505703    -16.06339031
  H     17.76487584      8.44396888    -10.00583184
  O     17.07559455      8.45132986     -9.31533907
  H     15.43928812     11.28491795    -15.58308360
  H     15.78375301     11.83152792    -13.05176380
  O     16.35734379     11.33270602    -12.45877795
  H     19.17910016      7.60372656    -11.78039607
  H     16.23400252     10.39924462    -12.69618277
          69
 Energy    -247.96980414938514     
  O     -8.15069768     -1.51623382      6.61837577
  H     -7.33769337     -1.05461182      6.85686063
  H     -7.59262508      0.29640327      2.58910617
  O     -9.53408779     -2.94572127      2.67677633
  H     -8.86053457     -0.86380394      6.63396645
  H     -5.08469945     -0.31766481      6.39469176
  O     -7.87872940     -3.62382620      4.92758750
  H     -9.01701948     -3.30076238      3.40892522
  H     -5.15410468     -0.17157123      7.93412899
  O     -5.22955047      0.00898035      0.57418918
  H     -9.97571063     -2.16631636      3.04063394
  H     -1.49148882      3.36532103      1.10813109
  O     -6.91465704      1.78122328      5.54112324
  H     -8.02124465     -2.88724263      5.54943708
  H     -2.66983571      3.89750697      1.95742515
  O    -10.33371320      0.38902708      6.48951653
  H     -7.93836156     -4.42730231      5.43731252
  H     -9.78781523      4.59597474      2.44010219
  O     -4.17045252     -0.63108461      4.95987023
  H     -5.17455544     -0.95411564      0.55821191
  H     -8.56296503      3.68334844      2.24751208
  O     -4.80313404      2.76699801     -0.16534711
  H     -6.17312016      0.21896819      0.57607294
  H    -10.56464826      0.65905439      2.40921679
  O    -10.22013120     -0.49518679      3.82790494
  H     -7.12885813      1.16027325      4.82495285
  H    -10.28202516      2.13243544      2.03754322
  O     -5.54629811     -2.79952835      0.78040675
  H     -6.49042341      1.25817204      6.23094676
  H     -6.50170498     -2.88200161      3.95538902
  O     -3.74566070      1.07193669      2.71231303
  H    -11.01598319      0.53045463      7.14028987
  H     -5.72559788     -2.58129481      2.62332937
  O     -7.47669500      0.01916297      3.50555289
  H    -10.09410570      1.26636427      6.14103181
  H     -8.66503153     -2.44640631      1.19510556
  O     -5.68318710     -0.13378217      7.14237488
  H     -3.88421841     -0.01668338      4.27382418
  H     -8.24475047     -1.17016960      0.42062410
  O     -2.39055838      3.17818353      1.36476154
  H     -4.67050099     -1.31666507      4.49355744
  H     -9.54896045      3.10859967      4.52979185
  O     -9.42635371      3.74650721      2.68532028
  H     -3.95410671      2.99329201      0.23348249
  H     -8.55545655      2.53747556      5.55674407
  O    -10.46197641      1.26265129      1.65995387
  H     -4.84709353      1.80304265     -0.13430084
  H     -3.69801196      5.90188927      3.27047417
  O     -5.86794925     -2.28823566      3.53147772
  H     -9.26091393     -0.36250184      3.77995505
  H     -4.13026793      4.43563707      3.45781396
  O     -8.11102390     -2.11995057      0.46815435
  H    -10.46383084     -0.27524198      4.73359838
  H     -5.83932202      2.76966771      4.51105332
  O     -9.49177535      2.74756861      5.42065411
  H     -5.28425449     -3.53558893      0.23518754
  H     -4.77725998      2.36235331      3.45586688
  O     -3.42297987      5.00329742      3.10923477
  H     -6.49205477     -2.63393844      0.60205383
  H     -7.55773530      1.72011424      0.98649397
  O     -5.29878147      3.10909547      3.78612658
  H     -4.26108248      0.65293785      2.00852770
  H     -8.87742740      0.91828820      0.99089923
  O     -7.92133970      0.83446705      0.84391473
  H     -3.13216814      1.67766733      2.27809194
  H     -6.40638567      3.30101565      2.35677998
  O     -6.90495624      3.34120305      1.52820500
  H     -6.91771457     -0.76866431      3.50194290
  H     -6.23807150      3.31066066      0.82638640
          69
 Energy    -247.96964082036951     
  O     -2.99586087      1.68799090      1.99593452
  H     -3.28414930      2.59164444      1.90247428
  H      4.22038064     -3.32151455      2.42280714
  O     -1.90727572     -2.52420423      7.95245695
  H     -2.19785469      1.58996515      1.44512907
  H     -0.35765906     -1.80806426      2.74818646
  O      2.30602337     -0.48009122      2.79969671
  H     -2.49496274     -1.89747536      7.49198712
  H      0.21227054     -2.76009433      1.65085928
  O     -2.67491404     -0.18457281      4.02848369
  H     -1.83458256     -2.22287239      8.85371466
  H     -1.76952564     -3.61879250      2.18498365
  O      1.92435071     -4.64200964      4.65614998
  H      2.72492043     -1.34645599      2.85828827
  H     -1.90682707     -5.05888900      1.69002911
  O     -3.48995290     -4.59487080      6.72494962
  H      1.54779819     -0.50250353      3.39971908
  H      1.34223703     -3.23132454      0.03269460
  O     -0.16909308     -3.18805453      5.86417531
  H     -2.79097700      0.54487465      3.40609009
  H      0.93604640     -4.58098641      0.74401712
  O      0.58843656     -6.75087113      3.67703041
  H     -3.12737565     -0.95083142      3.64784473
  H     -3.67156130     -3.15334079      2.70426371
  O     -5.32889290     -3.02801531      5.48395548
  H      1.35301178     -4.05856194      5.17206749
  H     -4.63264078     -2.62848854      3.80973784
  O     -0.88493637      1.19727589      0.38880787
  H      2.45606798     -4.08271044      4.07693788
  H      1.28248557     -1.08696593     -0.67325703
  O     -0.25318322     -6.05932815      1.10269042
  H     -2.95499529     -4.00611880      7.27143612
  H     -0.05736686     -1.75231539     -1.03762433
  O      3.32564541     -3.15155786      2.70736725
  H     -2.88376755     -4.98372423      6.07979307
  H     -0.91348718     -0.53765208      4.26406627
  O     -0.59590497     -2.36164914      1.99532762
  H     -0.63873066     -2.93732430      6.66981942
  H     -0.02789811     -1.65704751      4.88747060
  O     -2.35485273     -4.39491116      2.22283377
  H     -0.70413015     -3.87804248      5.44746423
  H      2.58463269      1.03838995      0.06199100
  O      1.51445288     -3.81203336      0.79275297
  H      1.12588068     -6.01057772      4.01662280
  H      2.04079555      0.14877584      1.20300363
  O     -4.14056118     -2.37042707      3.01972814
  H      0.94972516     -7.54813608      4.05521064
  H     -1.39597149     -1.67637763      0.49416725
  O      0.89797152     -1.90008198     -1.02679766
  H     -4.72897726     -3.65256510      5.92934391
  H     -2.71281754     -1.18010399     -0.13669608
  O     -0.01724566     -0.90225877      4.28276477
  H     -6.21664850     -3.27429425      5.72948351
  H     -3.27305887     -0.54145808      5.74654005
  O      1.86870517      0.45286320      0.29431133
  H     -1.22285331      0.37596468      0.00453691
  H     -4.32113910     -1.55300845      6.24074829
  O     -1.78275768     -1.35765959     -0.33512874
  H      0.07220768      1.09183706      0.40134243
  H     -2.00025016     -4.97881699      3.89473758
  O     -3.61653333     -0.96758758      6.54356243
  H     -0.29016513     -6.83525729      0.54757418
  H     -0.95334452     -5.93348804      4.50056879
  O     -1.64646153     -5.30678019      4.73398962
  H      0.05378281     -6.35309349      1.97580141
  H     -4.36395483     -1.25027955      1.49064307
  O     -4.23523059     -0.64562538      0.74831118
  H      2.74156846     -3.41989671      1.97606925
  H     -3.96746026      0.19484117      1.13878924
          69
 Ord_Energy   -247.969574    
 O   -4.77224493       5.71878004       2.25354671    
 H   -4.53572178       4.93375683       2.77220106    
 H   -5.20190430       5.38417339       1.45796430    
 O   -6.26045609       4.36996508      0.290755033    
 H   -6.02930117       3.45809412      0.543156326    
 H   -6.29381371       4.38985491     -0.661932528    
 O   -4.95759726       8.45197010       5.39333391    
 H   -4.77621937       9.38606834       5.45523024    
 H   -4.22211838       8.05763817       4.89071655    
 O   -8.35476971       5.12370825       2.09678221    
 H   -7.99542379       5.84105349       2.63175917    
 H   -7.69098043       4.92753553       1.42235827    
 O   -5.02485466       3.64909124       8.45516396    
 H   -4.89803982       4.57335663       8.21026707    
 H   -4.35043859       3.14583683       7.98238277    
 O   -7.58746195      0.349858373       2.44303989    
 H   -8.03839779       1.16668963       2.71359205    
 H   -8.24148369     -0.198733404       2.01593471    
 O   -7.48923111       2.63747883       8.92182636    
 H   -7.56743670       2.47415209       9.85805702    
 H   -6.60276461       3.01480341       8.77872276    
 O   -3.66372943      0.510625422       5.12609529    
 H   -3.40641236      0.664179325       4.21132517    
 H   -4.52980852       7.95613378E-02   5.08411455    
 O   -7.13318539       5.26764107       6.03069544    
 H   -7.99419355       5.06328583       6.42143250    
 H   -7.22909260       5.82632780       5.24894238    
 O   -5.60051441       1.84164298       1.04430318    
 H   -6.24294901       1.26447058       1.47359061    
 H   -4.74367666       1.61678576       1.42642605    
 O   -2.76440740       4.87704611       5.86021137    
 H   -3.45079517       5.35402060       6.35091496    
 H   -2.65695906       4.02450418       6.30240440    
 O   -4.07219553       3.58947158       3.81066394    
 H   -3.57126141       4.03936434       4.50336552    
 H   -4.86797285       3.22045994       4.22318363    
 O   -2.93860388       2.30900431       7.02759886    
 H   -3.22799563       1.67488050       6.34777355    
 H   -2.29026151       1.85261941       7.55849886    
 O   -6.22003222     -0.540274978       4.86853361    
 H   -6.79152203     -0.198617533       5.56908846    
 H   -6.64667654     -0.303779751       4.03713846    
 O   -10.1212540       2.06673717       5.54969978    
 H   -9.67931938       2.33683658       4.72692013    
 H   -11.0087833       1.80763233       5.31608963    
 O   -9.28978443       4.19154501       7.30005312    
 H   -9.69904804       3.51991057       6.74150848    
 H   -8.75230408       3.70842028       7.94190311    
 O   -3.03134894       7.09702730       4.02217484    
 H   -2.72191668       6.36921215       4.57531214    
 H   -3.50577354       6.69687939       3.28067231    
 O   -6.79620123       6.88747263       3.79683018    
 H   -6.34619188       7.55883884       4.32363033    
 H   -6.10354424       6.48811436       3.24876022    
 O   -4.84720707       6.19653511       7.16993427    
 H   -4.81181622       7.08106899       6.78961611    
 H   -5.67997837       5.82483101       6.83492422    
 O   -7.75209999      0.967220247       6.68200159    
 H   -8.62269783       1.21885264       6.34773207    
 H   -7.64337778       1.42331731       7.52675438    
 O   -6.37736511       2.84631133       5.05421925    
 H   -6.60611677       3.68728209       5.47975397    
 H   -6.66702700       2.13303089       5.63403797    
 O   -3.13962150       1.45426202       2.42838669    
 H   -3.39331722       2.26848912       2.89989781    
 H   -2.25983238       1.59663367       2.08762455    
 O   -8.56869411       2.73841953       3.39444017    
 H   -8.62650967       3.56671572       2.89772844    
 H   -7.75804424       2.79319024       3.92391706    
          69
 Energy    -247.96951711943586     
  O     11.64118134     10.35344042    -14.90834714
  H     11.26760926     11.03759210    -14.34282571
  H     16.28756094      7.83026176    -14.28389806
  O     13.10842119      7.62308937    -11.34198664
  H     12.58307778     10.33564091    -14.67277062
  H     19.49806525      9.44219287    -15.44887744
  O     15.99522967     12.31720027    -14.53774788
  H     12.93021079      6.90216644    -10.74415014
  H     19.02455492     10.62047607    -14.57470372
  O     12.10335117     10.34946036    -17.61623534
  H     14.07239660      7.76806351    -11.32359579
  H     16.16823900     11.36494799    -10.59820774
  O     14.21371215     10.26501347    -13.96703863
  H     16.64248867     11.87322076    -13.97148096
  H     17.33370529     10.91498861     -9.68629100
  O     13.86914812     13.64008539    -13.24637023
  H     15.39058289     12.85008103    -14.00482482
  H     16.03791982     12.06451070    -16.27693392
  O     15.76735660      8.16821988    -11.30516392
  H     11.33030216     10.10498525    -18.11895504
  H     16.91527806     11.71233105    -17.51146183
  O     13.42827360     14.91186700    -15.61789034
  H     11.84211620     10.34043195    -16.68020068
  H     14.57326619     12.97705715    -11.57528706
  O     17.50136265      8.53025575    -17.86097663
  H     14.83749885     10.94764403    -14.23776400
  H     14.08053337     11.68652074    -10.90498113
  O     12.91275814     10.39280603    -11.55598940
  H     14.50704305      9.42036946    -14.32982709
  H     11.82039414      8.42496838    -14.30300270
  O     19.01367165      7.61577655    -15.79024039
  H     13.02058014     13.19754270    -13.12825061
  H     12.45185094      7.58352784    -13.16668096
  O     17.09997445      7.98028335    -13.77591644
  H     13.75302410     14.19729913    -14.03236720
  H     12.91487618     12.13501159    -17.61508836
  O     19.51647253     10.40524523    -15.37707085
  H     16.12014101      8.99254966    -10.95130106
  H     14.37082822     12.62246777    -17.54051815
  O     16.89354538     10.72150333    -10.50971093
  H     16.28733974      7.97610732    -12.09685130
  H     17.47817454      9.74389797    -13.41249267
  O     16.00434886     11.82151975    -17.21536282
  H     13.38527443     14.22353906    -16.30298577
  H     17.58515886     10.73152084    -12.22976001
  O     14.76888817     12.36473859    -10.85588341
  H     13.50345236     15.74001284    -16.08402632
  H     13.84305441      9.56872146    -17.66953235
  O     12.24731339      7.58238279    -14.11093041
  H     17.88548963      9.40392441    -18.01096850
  H     15.21552234     10.20022073    -17.37633547
  O     13.45274115     12.92661792    -17.51253660
  H     16.54528641      8.65535224    -17.86275624
  H     10.68183322     12.67909473    -12.24823306
  O     17.73533186     10.64829871    -13.17930882
  H     13.45096870     10.36392731    -12.36554771
  H     11.76600123     11.57539002    -12.24533145
  O     14.76566028      9.34962682    -17.49419554
  H     12.81960749      9.47297150    -11.28561113
  H     19.35570549     11.56496226    -18.33147958
  O     11.33510893     12.25135358    -12.79644554
  H     19.56015370      6.88922218    -16.07679460
  H     19.00102602     10.97122153    -16.94643025
  O     18.65029913     11.15850973    -17.83591729
  H     18.44740936      7.85684990    -16.54566512
  H     13.87671931      7.57945235    -14.91414318
  O     14.77521870      7.82246074    -15.18148508
  H     17.82762863      7.74287356    -14.36271250
  H     14.74040847      8.25435705    -16.04659913
          69
 Energy    -247.96950768565625     
  O     14.86201463      4.56909460    -10.52321251
  H     15.21760324      5.29837821    -10.00091136
  H     13.37031828     12.03380299    -13.24860100
  O     14.34736672      9.18745438    -16.47629321
  H     15.51503829      4.36446444    -11.20272674
  H     13.43108871      8.71399053    -13.57622169
  O     17.95405078      9.13189145    -14.45398036
  H     13.81214599      9.23884764    -17.26407700
  H     11.97199901      8.52562963    -14.06426617
  O     15.79029979     12.08094595    -11.24404950
  H     13.73501845      9.12961512    -15.72276240
  H     16.51652014     10.53774593    -11.73070834
  O     10.62403422      7.41468873    -13.50607839
  H     18.64147641      8.63741841    -13.99119251
  H     17.17429820      9.65122306    -12.86095048
  O     16.49778981      3.95268476    -12.77130925
  H     17.37206492      8.46857316    -14.85472530
  H     14.13842966      8.08383476    -11.47656640
  O     11.94938624      5.07201199    -13.65474482
  H     15.51772195     12.47991476    -12.08081199
  H     15.34508809      8.60728093    -12.28277556
  O     17.96895411      7.55715851    -10.68706948
  H     14.97745398     11.82734690    -10.78992955
  H     11.87609420      3.64971880    -10.39992139
  O     13.24037825     11.14626187    -10.23361380
  H      9.71564053      7.32256915    -13.78007255
  H     13.15578972      4.43517872    -10.76683083
  O     18.12679890      5.45975274    -14.33474995
  H     11.04711206      6.54474907    -13.62919661
  H     19.03688466      7.37691888    -12.04585929
  O     14.92031673     12.92843014    -13.82208694
  H     16.62249181      3.03840882    -13.01432402
  H     20.48024421      7.42987658    -12.59956037
  O     12.67174088     11.49056522    -12.86120383
  H     17.14999700      4.46259410    -13.28310405
  H     14.62464957      6.51314110    -13.24259971
  O     12.78452012      9.02008096    -14.23114324
  H     12.87069106      5.26994414    -13.87399207
  H     15.20519850      5.08834819    -13.49182542
  O     16.75743641      9.63836930    -11.99063276
  H     11.97211673      4.71302937    -12.75825752
  H     16.91497109     10.56549887    -15.14431860
  O     14.54690093      8.06494368    -12.34967552
  H     17.57129703      8.36785073    -11.04235357
  H     15.54716960     10.51471128    -15.85201173
  O     12.19363958      4.38869994    -10.91169480
  H     17.30123108      7.19231232    -10.09895644
  H     15.64575043      7.85215098    -16.06787287
  O     19.56551191      7.38765222    -12.86465457
  H     12.67027000     11.71363689     -9.72038789
  H     15.65097910      6.69630508    -15.05433029
  O     14.64243192      5.77420547    -13.87100184
  H     12.96833432     11.24812637    -11.16371901
  H     11.61591249      6.17223947    -10.73046614
  O     16.16053082     11.10917057    -15.40240018
  H     18.70024296      6.07058732    -13.85326849
  H     11.08221107      7.32516141    -11.60166130
  O     16.23231684      7.24400277    -15.60295029
  H     17.60990691      6.00017993    -14.94366171
  H     15.83207442      6.81897389     -8.07388694
  O     11.40911744      7.11628433    -10.71965549
  H     15.01651390     13.78757000    -14.22410815
  H     14.98612864      7.41076631     -9.22009494
  O     15.72458687      6.81034389     -9.02224948
  H     15.39262806     12.29869747    -14.39499244
  H     12.74802798      7.98020403     -9.97648366
  O     13.59328324      8.39643087     -9.74213292
  H     12.62586018     10.68876269    -13.39652205
  H     13.49027659      9.35241568     -9.83203591
          69
 Ord_Energy   -247.969315    
 O   -5.50772524       1.45608985      -2.14141726    
 H   -5.86912346       2.11095524      -1.53221464    
 H   -6.24824667      0.963023186      -2.51480532    
 O   -4.51534843      -3.32968426       5.48366547    
 H   -3.97075176      -3.97089386       5.01088333    
 H   -3.95127892      -2.55917048       5.62538958    
 O   -6.30398798     -0.744882822      0.465385705    
 H   -5.48196173     -0.504546762       2.39954405E-02
 H   -6.45331192      -1.68788397      0.308851302    
 O   -2.86530757      -4.90460110       3.70613098    
 H   -2.25207996      -4.14829159       3.66976643    
 H   -2.33241224      -5.68814945       3.80787754    
 O   -6.20764017      -2.68815112      -2.57579923    
 H   -6.72113228      -1.89418447      -2.76477814    
 H   -6.53063822      -3.04321384      -1.73733556    
 O   -4.72362947      -3.75499725       1.93123913    
 H   -4.10017490      -4.29905272       2.42829299    
 H   -5.36800528      -3.42568231       2.57516170    
 O   -7.65580702     -0.223785907      -3.04849434    
 H   -8.25432777     -0.100321099      -3.78098464    
 H   -8.18701649     -0.155374855      -2.23613858    
 O   -2.78923535      -1.03363609       5.57357311    
 H   -2.48821759     -0.458210737       6.27203321    
 H   -3.20537376     -0.465908915       4.90286112    
 O   -8.67682457      -3.62127900       2.21081161    
 H   -7.98855972      -3.39684367       2.86038184    
 H   -9.13965130      -4.38268232       2.55244255    
 O   -4.01065779       2.01016045       1.16995096    
 H   -3.73341441       1.34559238      0.527674437    
 H   -3.93594027       1.59324646       2.03579593    
 O   -3.96114349      0.286721528       3.47588968    
 H   -4.92663956      0.211600304       3.47145629    
 H   -3.62903285     -0.346616864       2.82049632    
 O   -1.42549336      -2.60617924       3.59749484    
 H   -1.72134459      -2.06541157       4.34051800    
 H   -1.79248762      -2.18533492       2.80760646    
 O   -10.0638676      -1.19549942       1.52192259    
 H   -9.64628029      -2.01882720       1.80169630    
 H   -9.84456253     -0.531984389       2.18756914    
 O   -3.05510831      -1.52138793       1.57095337    
 H   -3.64911175      -2.28520393       1.58440506    
 H   -3.17064142      -1.08180213      0.721110344    
 O   -6.60478687      -2.82721567       3.80331373    
 H   -6.63499546      -1.86884201       3.67124462    
 H   -5.96955347      -3.01200414       4.51071262    
 O   -6.11888218       3.28425336       2.69323005E-03
 H   -5.37977219       2.87357068      0.484467059    
 H   -5.88075876       4.19933176     -0.127052337    
 O   -8.63622475       2.36057091      0.880079865    
 H   -8.79739857       1.64592350      0.249612287    
 H   -7.78623390       2.74367285      0.629970670    
 O   -9.17481804       1.02721632       3.16360879    
 H   -9.71679497       1.53636909       3.75976157    
 H   -9.00981236       1.58818030       2.38313150    
 O   -6.65652227     -0.155903101       3.13027930    
 H   -6.54290581     -0.299545169       2.17758560    
 H   -7.50265741      0.290573835       3.25342131    
 O   -3.79498482     -0.119989961     -0.769830406    
 H   -3.59356952     -0.895062566      -1.31752920    
 H   -4.30411291      0.486716598      -1.33183897    
 O   -8.75901794      -3.62713784E-02 -0.586649418    
 H   -7.86952400     -0.193885401     -0.233250320    
 H   -9.36363220     -0.485516876       2.11521797E-02
 O   -3.52055097      -2.35413051      -2.26120996    
 H   -3.02391052      -2.87805724      -2.88301921    
 H   -4.46003389      -2.52435327      -2.44849277    
 O   -6.78074074      -3.46205425       9.54064578E-02
 H   -5.99348021      -3.73378563      0.590078235    
 H   -7.53441048      -3.59859681      0.682725847    
          69
 Energy    -247.96926809858502     
  O     -7.50161157     -3.23447854      5.38608648
  H     -8.05185367     -2.66892851      5.94279045
  H     -4.09943847      1.18685717      1.57345275
  O     -8.81295275     -2.71994172      3.04128264
  H     -6.59844305     -2.90416522      5.45717813
  H     -8.05171709     -1.05220016      3.41846200
  O     -5.26280364      1.21914393      0.17127398
  H     -9.66465991     -2.45375929      3.42056778
  H     -8.79077166      0.24353939      3.79538886
  O     -6.11846374      0.33068838      5.68236734
  H     -8.30067553     -3.09341785      3.77318332
  H     -4.71135074     -1.95177675      4.44062154
  O     -5.48553029      5.57092874      1.90129200
  H     -5.33578958      0.26990837      0.01034289
  H     -4.08880452     -2.62337848      5.68772001
  O     -9.91043887      0.98867141      0.81710672
  H     -6.06760588      1.46255834      0.65439393
  H     -2.30679574      3.91569384      2.52069782
  O     -9.35718968     -1.53518623      6.83115439
  H     -5.60438182     -0.48053286      5.77162916
  H     -0.96392189      3.64193581      1.79953401
  O     -4.46157355     -1.45100940      2.79863295
  H     -6.73591757      0.16763718      4.95032908
  H     -9.66619431      3.99730251      5.29507072
  O     -4.22742788      3.85413200      0.21088334
  H     -5.57470246      6.42278689      1.48254298
  H     -8.48851212      3.49936824      4.43192618
  O    -10.94415466     -1.65724585      4.44363251
  H     -5.08308665      4.97593647      1.24298200
  H    -10.21439742      1.84961286      3.98354215
  O     -5.73492473     -1.55075151      0.20204760
  H     -9.03402852      1.36479922      1.00683439
  H    -10.44576147      1.07440893      2.64217886
  O     -3.51426341      1.15791108      2.34465777
  H    -10.22457533      1.40672245      0.01896128
  H     -8.60039557     -2.08901876      1.37378313
  O     -7.91011166     -0.12358664      3.64065024
  H     -9.67309601     -1.75292696      7.70497595
  H     -9.02160208     -0.81884442      0.60031967
  O     -4.85358849     -2.14080682      5.38633058
  H     -9.11875329     -0.59336548      6.85206114
  H     -7.62193543      0.90698008      6.58042302
  O     -1.88413187      3.39451089      1.81458255
  H     -4.01050598     -0.60064636      2.71267409
  H     -8.82202298      1.81640100      6.24524263
  O     -9.28540674      3.21271953      4.90636061
  H     -4.92389146     -1.58801956      1.96455767
  H     -3.81665383      3.98949078      4.15236267
  O    -10.49633485      1.00755457      3.60499046
  H     -3.35499634      3.71086056      0.59882882
  H     -4.05522387      5.15795789      3.17958899
  O     -8.41357449     -1.56308171      0.58039801
  H     -4.57742616      2.97660181      0.01013413
  H     -4.39526569      1.96267731      3.72684667
  O     -8.54505939      1.08866956      6.81061015
  H    -10.50129192     -1.66599271      5.30228751
  H     -5.21902916      1.74262416      5.01864156
  O     -3.36765929      4.70741461      3.68456914
  H    -10.99391509     -0.72714602      4.18786743
  H     -7.32704919      2.57026866      2.25522789
  O     -4.84257180      2.42663396      4.44890439
  H     -6.70269487     -1.56011494      0.31107548
  H     -7.49475289      1.02964900      2.34348803
  O     -7.45037754      1.77494773      1.72325042
  H     -5.52299777     -2.26552604     -0.39289716
  H     -6.25511161      3.36161254      3.90094381
  O     -6.98939725      3.85843921      3.50643670
  H     -2.80750526      1.79152919      2.17298170
  H     -6.59184726      4.55669813      2.97093621
          69
 Energy    -247.96924491064701     
  O     13.17305700     12.14941213    -14.01929358
  H     13.80334689     12.79664473    -14.35826136
  H     17.32466650     11.61685853    -15.40226969
  O     19.53719328      7.62791577    -11.41534506
  H     13.07553885     12.34199138    -13.07495943
  H     12.66799290      9.10198565    -15.88955047
  O     16.93355666     10.72533642    -11.91976634
  H     18.76795015      7.94193319    -10.92256817
  H     13.94198104      9.18511759    -16.78154095
  O     11.46733698     10.10459013    -14.76148133
  H     19.27414178      6.78070443    -11.79646531
  H     14.30824001     10.62584335    -13.75394567
  O     16.04167864      6.52031623    -12.28817712
  H     16.11834301     10.46444934    -12.37939668
  H     14.93125307      9.18142992    -13.90625481
  O     13.69997348      6.77086655    -10.75897136
  H     17.09964257     10.01467271    -11.28910951
  H     14.28825290      7.76245283     -9.45191605
  O     18.54351490      5.37814952    -12.89474155
  H     10.61471023     10.40987094    -15.06256410
  H     14.52822871      8.05589473     -7.95169627
  O     17.40714337      8.58588560    -16.10384036
  H     11.98909026     10.89759218    -14.55510396
  H     20.25017835      8.56207798    -12.70606947
  O     17.01363627      8.38402726    -10.42499338
  H     15.71987445      6.83823479    -13.14476542
  H     21.51198155      9.19013925    -13.34442028
  O     15.44292642     10.13434604    -17.50909971
  H     16.84229305      6.01182821    -12.46493137
  H     15.36230273     14.90315960    -14.63253215
  O     19.35844765      6.88019873    -15.00684827
  H     13.12060920      7.28431928    -11.33575364
  H     15.56059725     13.78534739    -13.57896081
  O     16.64583325     11.99246474    -15.97809272
  H     14.46848388      6.52633516    -11.29338835
  H     14.97873986     13.13894552    -11.57081109
  O     13.33872709      8.57414469    -16.33770504
  H     18.85133231      4.48001779    -12.98092570
  H     16.35009346     12.47695195    -11.83089285
  O     14.75261027      9.90597011    -13.29164978
  H     18.81504373      5.84724191    -13.70412159
  H     12.58901919     13.34807503    -10.78197712
  O     14.66753843      8.40811007     -8.82693483
  H     16.81956269      9.03045079    -16.72576222
  H     13.10031659     11.89040100    -10.78564372
  O     20.59361702      8.99455604    -13.50906588
  H     17.72294507      9.26237089    -15.48541865
  H     17.89869316     10.61152855    -13.44838624
  O     15.28298209     13.96307259    -14.49660697
  H     16.32442644      8.45973396     -9.75511452
  H     19.20870127     10.09961565    -14.08556421
  O     15.85375633     13.29909260    -11.94595988
  H     16.66689528      7.77641515    -11.09624988
  H     11.86419171      9.03272918    -13.07479694
  O     13.13717968     12.73663239    -11.26670041
  H     15.82942316     10.86028295    -16.98617745
  H     13.29427138      9.10993947    -12.54441173
  O     18.35838462     10.50624436    -14.29362636
  H     15.51050775     10.39185005    -18.42518908
  H     12.59657220      9.77249999    -10.75086039
  O     12.40963620      8.77691364    -12.32533792
  H     18.70260111      7.34456841    -15.54284193
  H     13.57466734      9.80289180     -9.55948520
  O     12.95490217     10.34586178    -10.05964906
  H     19.90117416      7.57057825    -14.60536016
  H     14.50089042      7.72276927    -15.29021490
  O     15.25509194      7.56018330    -14.70424117
  H     16.23648937     12.71945256    -15.49510535
  H     16.05407499      7.78906900    -15.19827881
          69
 Ord_Energy   -247.969177    
 O   -13.9014864      -4.93384600       8.89175415    
 H   -13.3750381      -5.14869404       9.66973972    
 H   -13.5384207      -4.10593033       8.54819870    
 O   -12.0375643      -5.34739256       11.0326633    
 H   -12.1951628      -5.37688684       11.9728861    
 H   -11.6591749      -4.47159052       10.8438768    
 O   -9.56562901      -1.23136723       1.66045499    
 H   -10.2734890      -1.50153029       2.26246786    
 H   -9.41320610      -1.98594260       1.07896197    
 O   -10.6164169      -4.78780890       2.33370090    
 H   -10.8946514      -3.95828605       2.74978828    
 H   -10.1127396      -4.54270649       1.54757965    
 O   -8.44075680      -5.08734655       4.10898781    
 H   -8.36987019      -5.94121265       4.55129576    
 H   -9.20138645      -5.12151480       3.51306677    
 O   -11.7241707      -5.50633478       6.04016924    
 H   -11.7010689      -5.95652771       5.18523073    
 H   -12.4926023      -5.86735439       6.50234985    
 O   -6.90508270      -3.66502571       2.23113990    
 H   -6.89801979      -2.77955222       2.61529255    
 H   -7.26822567      -4.24347258       2.91616535    
 O   -14.1627874      -6.67784071       6.85552168    
 H   -14.1950865      -6.10414982       7.63924217    
 H   -13.7132711      -7.49720240       7.09713793    
 O   -13.2591343      -3.36810374       5.17645931    
 H   -13.9480591      -3.92956281       4.80601645    
 H   -12.6084290      -3.99561453       5.53116989    
 O   -12.1644001      -6.72787809       3.55465817    
 H   -13.0714407      -6.41043329       3.64698410    
 H   -11.6866789      -6.10710907       2.98570371    
 O   -14.7323675      -5.71652794       4.35478497    
 H   -15.6264668      -5.90704727       4.08306313    
 H   -14.6268835      -6.09104872       5.24768782    
 O   -7.44099188      -1.08089387       3.36191583    
 H   -8.17791748      -1.02808368       2.72689128    
 H   -7.00130177     -0.235247210       3.34666276    
 O   -8.35476780      -7.51708651       5.51602030    
 H   -9.21238613      -7.95871973       5.38009739    
 H   -7.68768501      -8.19792175       5.50219202    
 O   -8.89594650      -3.73284817      0.374927372    
 H   -8.58662796      -3.93066192     -0.504704773    
 H   -8.11448765      -3.73528194      0.956888855    
 O   -11.0518847      -7.34060574       9.26825714    
 H   -10.3900604      -6.85173798       8.76066875    
 H   -11.3799257      -6.72553062       9.93479538    
 O   -8.91491604      -2.58225894       5.25009584    
 H   -8.33863354      -1.99451494       4.74559879    
 H   -8.70520973      -3.48507428       4.96767235    
 O   -12.4657860      -8.81620884       7.51103592    
 H   -12.6460695      -9.67760181       7.87841797    
 H   -11.9577913      -8.32525253       8.18311501    
 O   -12.6537743      -2.62955904       7.84570169    
 H   -12.9991550      -2.63171554       6.94564342    
 H   -11.7041779      -2.80542278       7.77364349    
 O   -10.8128300      -8.60009003       5.15574551    
 H   -11.3838215      -8.71076870       5.92553234    
 H   -11.3280697      -8.11769009       4.49516916    
 O   -11.1540632      -2.85298777       10.3107977    
 H   -10.4510803      -2.88325167       9.64659309    
 H   -11.9062433      -2.49931741       9.82280445    
 O   -9.45767403      -5.84642506       7.52385712    
 H   -10.2636461      -5.69399309       7.00128031    
 H   -8.89850903      -6.40724564       6.97549677    
 O   -9.80640984      -3.10791445       7.85611725    
 H   -9.45685005      -2.76142859       7.02554750    
 H   -9.57885456      -4.04830122       7.85821342    
 O   -11.1938725      -2.39352202       3.62733245    
 H   -10.4712992      -2.39558816       4.27174282    
 H   -12.0104847      -2.56946468       4.11144304    
          69
 Energy    -247.96915342154335     
  O     14.38020850      8.28937513     -9.72913220
  H     15.14699257      8.88221709     -9.82871760
  H     16.80603468      7.60151635    -16.71937789
  O     16.65008486      5.65669813    -12.89269000
  H     14.05874505      8.40011901     -8.83861237
  H     15.24623557     10.45472032    -15.93836840
  O     15.71700800     12.33975497    -11.78486577
  H     15.95352345      5.61964755    -12.21571464
  H     14.52817975     11.42296463    -14.94753747
  O     17.28170546     12.07860996    -14.17489625
  H     17.50378457      5.77208126    -12.46537965
  H     16.28931475      7.37266222    -13.33164272
  O     11.59981547      8.51611614    -13.86792447
  H     14.90711666     12.17815288    -12.29715874
  H     16.92375466      8.79342958    -13.52901768
  O     12.51895374      5.87491495    -13.15532675
  H     15.59239678     13.17444307    -11.33807066
  H     13.78855962      5.81416242    -11.82746124
  O     13.55703063     11.60344005    -13.32357740
  H     16.81671239     12.27066158    -13.35143057
  H     14.46156091      6.57320193    -10.64925249
  O     12.43000179     10.63943029    -16.84071894
  H     16.59874775     11.96880009    -14.84901727
  H     19.95322166      5.73176951    -11.98684624
  O     15.94670208      4.99282662    -15.49855825
  H     11.21847481      9.38454238    -14.03770436
  H     19.36414999      6.65985606    -13.07809498
  O     15.45234531      8.62864825    -16.14665235
  H     12.35688856      8.67047109    -13.28075219
  H     18.76152283      9.68777630    -12.72186321
  O     13.27509570      5.12597994    -15.84511025
  H     12.76672519      5.53649939    -14.02413940
  H     18.17443507     10.59711412    -13.86203279
  O     17.51625285      6.95582884    -16.87212312
  H     11.99838407      6.66647492    -13.33164668
  H     18.79299742      7.09037984    -15.44890408
  O     15.01620941     11.38227268    -15.78197631
  H     13.62976585     10.72284960    -12.92009765
  H     19.16090307      8.22023806    -14.46864404
  O     16.09372529      8.29992681    -13.52309050
  H     12.66282747     11.66021047    -13.67961398
  H     19.74721114      9.11224143    -10.40979450
  O     14.54532483      5.80358508    -11.22129303
  H     13.31725626     10.99260863    -16.69943760
  H     19.08086829      8.03820746    -11.29550709
  O     19.30497484      6.41554679    -12.13487871
  H     12.52121420      9.67822612    -16.87381885
  H     12.35647214      8.07263602    -15.47235013
  O     18.50377836      9.71100630    -13.65031517
  H     16.21831206      5.11457899    -14.57766874
  H     12.90659190      6.89103057    -16.29515163
  O     19.34677226      7.29463433    -14.68720859
  H     16.52995675      5.54914566    -16.02654931
  H     16.24827078     10.77615528    -10.75271326
  O     18.99202937      8.94840585    -10.97072285
  H     14.54156790      8.33357992    -16.28209989
  H     17.29303081      9.66220311    -10.46667472
  O     12.79857812      7.85092346    -16.30516481
  H     15.65402536      8.47769560    -15.20988720
  H     11.46594659     11.07922307    -15.45055956
  O     16.43027782     10.00358817    -10.20466964
  H     12.97314569      4.30373137    -16.22167363
  H     10.24869219     11.74012150    -14.76088108
  O     11.04716928     11.24945569    -14.58707347
  H     14.24019112      5.04714421    -15.73884453
  H     14.60228809      8.79298193    -12.73002302
  O     13.78411778      9.10258104    -12.31266382
  H     17.75260817      7.02343574    -17.79406270
  H     13.82974817      8.84316658    -11.38558206
          69
 Energy    -247.96882333095169     
  O     15.09520068     12.74739519    -13.39934079
  H     15.56353062     12.04407078    -12.93194712
  H     13.10077863      6.10018262    -14.91476083
  O     13.79384624      7.10156690    -13.59433512
  H     14.23313418     12.81585361    -12.96954179
  H     16.06295817     11.31246079    -17.04282014
  O     17.68260687      8.21927894    -11.59434975
  H     13.23716720      7.49504139    -12.91077866
  H     16.97353700     10.05617422    -16.97525576
  O     17.65683395      8.92324461    -15.68352839
  H     14.27704806      7.83577741    -14.00485696
  H     14.51446568      9.70182975    -15.10789049
  O     13.17199231     10.46275703    -16.08156374
  H     17.23618778      7.51999510    -12.09426112
  H     15.99000852      9.16496146    -15.00198328
  O     14.43701690      8.64331171     -8.65764852
  H     17.53480933      8.03295643    -10.65907595
  H     12.18112656     11.88332775    -12.70828313
  O     12.30547970      8.41838684    -11.68869816
  H     18.29091875      9.14122180    -14.98535184
  H     11.82987826     13.20911783    -11.99061559
  O     15.95961021     10.35565786    -12.17476104
  H     17.62796108      7.96013547    -15.74762965
  H     15.78113835      5.60582523    -11.27635704
  O     15.02223341      6.53978150    -17.12767181
  H     13.66759012     11.29000093    -16.16400356
  H     16.00800743      6.13164754     -9.84796322
  O     12.91864617      6.45851661     -9.76424653
  H     13.35335771      9.94533374    -16.87729498
  H     19.83315413     10.06953799    -13.15067217
  O     17.25098208      6.13429035    -15.68881977
  H     13.83146302      7.93305701     -8.90219975
  H     18.84424817      8.95129230    -12.78412484
  O     12.84042466      5.61503505    -15.71485140
  H     14.17851696      9.40694157     -9.19132559
  H     15.40892317      6.45007407    -13.15341859
  O     16.39749071     10.56910206    -17.55931112
  H     12.78029724      9.16940466    -11.30443925
  H     16.72610209      6.07736576    -13.86523576
  O     15.14917334      9.25539054    -14.53500369
  H     12.34704061      7.71677896    -11.02577018
  H     17.35802043      7.54238993     -8.13059518
  O     12.54027412     12.59243380    -12.14354727
  H     15.60663079      9.99630294    -13.00400621
  H     16.05945337      8.03204953     -8.81451193
  O     15.42577112      5.57437681    -10.37927073
  H     16.62101158      9.71915149    -11.88142565
  H     14.09623160      9.10150794    -19.21405940
  O     19.31459714      9.36223534    -13.52646620
  H     14.75110168      7.36797189    -17.53784302
  H     15.06648200      9.59051591    -18.11015459
  O     16.33205324      6.20143250    -12.99381857
  H     14.22616178      6.15455152    -16.73324730
  H     13.28747306     11.33913489    -10.91982083
  O     16.91407048      7.59172912     -8.97273639
  H     13.77571339      6.07831780    -10.02730172
  H     14.56709192     10.48902220    -11.08269050
  O     14.26441016      9.06214894    -18.27612230
  H     12.44424233      5.77115157     -9.30423301
  H     15.07978790     12.68450752    -15.13384646
  O     13.74308715     10.56262152    -10.57588875
  H     16.44437599      6.23975380    -16.22774093
  H     14.96980031     13.50799920    -16.43576278
  O     14.99013418     12.61525043    -16.10095956
  H     17.78372255      5.47040127    -16.11837854
  H     11.76268060      9.67531216    -13.15382210
  O     11.68974717     10.50535401    -13.63807702
  H     12.26738659      4.91130919    -15.42286545
  H     12.09981016     10.38277809    -14.50371049
          69
 Energy    -247.96872098226078     
  O     11.51277751     11.72264682    -12.65546561
  H     12.28466825     11.93239914    -13.19745001
  H     18.78948928      4.97624103    -15.99465554
  O     14.01303476      7.01145794    -14.64861576
  H     10.98892021     11.11002724    -13.18533200
  H     16.53231002     12.86500815    -16.31595525
  O     17.55107683      9.86749175    -10.85625790
  H     14.78166979      7.56660411    -14.43072180
  H     16.82566420     11.50196831    -15.64827475
  O     18.50335771      8.33943086    -16.96826485
  H     13.76496823      6.57773852    -13.82696786
  H     16.65994207      9.12719391    -14.46911842
  O     12.80741798      9.40062461    -15.50162582
  H     17.26488869      9.20801595    -10.21298126
  H     16.79295444      7.88063944    -13.56663843
  O     13.76584274      7.84036516     -9.49962688
  H     16.73721439     10.23129153    -11.23164169
  H     16.36671172      6.64724764    -10.57142814
  O     15.16043212     10.39213062    -12.17677389
  H     17.75172457      8.24494106    -17.56818809
  H     16.96255678      6.22245553    -11.92737856
  O     16.11613840      7.96529499    -18.46131272
  H     18.60956458      7.47714523    -16.54919704
  H     12.13577375      7.28942353    -12.20312314
  O     13.56517923      5.99819144    -11.94968254
  H     11.89668397      9.46662676    -15.18807921
  H     11.91698589      8.72919056    -11.71207535
  O     17.97943121     10.26562125    -15.12976451
  H     13.13560532      8.53558353    -15.22043122
  H     20.23303782      9.70300292    -12.49841514
  O     15.82728531      5.90669863    -16.52975683
  H     13.34225435      8.66578060     -9.77699686
  H     18.74875972      9.61348471    -12.06640778
  O     18.38912983      5.77909700    -15.67170628
  H     13.54841142      7.19631641    -10.17890139
  H     18.39593800      6.44207083    -13.96917618
  O     16.11354473     12.08127703    -15.96899974
  H     15.46465339      9.63369348    -12.69515317
  H     18.78672895      7.62443132    -13.01526490
  O     16.15297929      8.50114734    -13.93811255
  H     14.74911376     10.98819666    -12.81696275
  H     15.48698303      7.92387676     -9.18783713
  O     16.19271337      6.11103018    -11.35506119
  H     15.96205390      7.93067037    -19.40143442
  H     16.67494147      7.67909056     -8.23061234
  O     11.51534521      8.02290542    -12.23915441
  H     15.59741990      8.71634159    -18.12052060
  H     15.18034338     10.78246163    -17.03236497
  O     19.37102409      9.42155661    -12.79285340
  H     14.52420933      6.02858162    -11.77541433
  H     13.97841679      9.82441085    -16.86459634
  O     18.23913769      6.83339252    -13.09861152
  H     13.28805877      5.10013228    -11.78107437
  H     12.23891482     10.74195541    -11.26482563
  O     16.45835053      7.87319857     -9.13889356
  H     18.52568008     10.09083845    -14.35407332
  H     13.66125482     10.15668910    -11.19112506
  O     14.73252127     10.02951494    -17.43372319
  H     18.24438276      9.64121470    -15.82521004
  H     13.51931849     10.89457546    -14.67791328
  O     12.77518872     10.08023458    -10.80606401
  H     15.84431625      6.55991882    -17.24182233
  H     14.60909703     11.98171555    -14.83307285
  O     13.88360845     11.69286980    -14.26699337
  H     15.11119698      6.16992286    -15.93876270
  H      9.43386564      9.30708915    -14.28845090
  O     10.35467618      9.52224602    -14.16908798
  H     17.45511213      5.75951268    -15.95084176
  H     10.70096344      8.91570135    -13.48873028
          69
 Energy    -247.96860708514072     
  O     17.49430507      9.25560627    -14.73448685
  H     17.65987472     10.20250972    -14.79164961
  H     14.34645096     10.52120906    -11.13742361
  O     14.49678767      7.48992414     -9.20103771
  H     17.08199046      9.10770342    -13.86539678
  H     18.78053901      2.61102058    -13.29220934
  O     17.94292317     12.02027839    -14.34920624
  H     15.05351394      7.02393281     -9.84748482
  H     17.63365336      3.50848744    -13.81652981
  O     12.48937788      8.25856114    -11.05959916
  H     14.53144824      6.98321086     -8.39363143
  H     15.43784086      6.02542427    -11.98113764
  O     15.46241983      7.56868635    -15.56389299
  H     18.49069025     11.78874558    -13.57578092
  H     16.88050246      6.12095630    -11.38750644
  O     19.55928345      7.55506522    -14.05177896
  H     18.46224965     12.61157841    -14.88734247
  H     18.41013183      5.35730971    -16.08449907
  O     21.18763664      9.01795815    -12.42330460
  H     12.86692215      9.08712905    -11.38059791
  H     19.10604673      4.62608570    -14.91928856
  O     18.57395816      5.91690719    -11.96248098
  H     13.06615262      7.96337794    -10.34420555
  H     16.18318576      6.20131441    -16.45877099
  O     11.97017896      6.72882490    -13.20648621
  H     16.21253692      8.15543989    -15.39469458
  H     16.42385352      5.41055215    -17.76281782
  O     15.31217012     12.45829382    -13.41507716
  H     14.66799192      8.07781821    -15.34486391
  H     16.14908045      7.97412118    -11.97238179
  O     13.29049495      8.90865889    -14.52677299
  H     18.88474299      8.17541231    -14.36015697
  H     15.46843063      9.34356416    -12.27628685
  O     14.02513713     10.45417680    -12.05335214
  H     19.55720618      6.80026091    -14.65834665
  H     18.87737730     10.96590044    -11.47654947
  O     18.53076399      3.51956900    -13.43676689
  H     20.68315691      8.47317922    -13.05209874
  H     20.10226209     10.58024802    -12.32111303
  O     15.95057247      6.32788433    -11.21724032
  H     22.10974843      8.90066476    -12.63659990
  H     18.47369645      9.26704225    -10.08294241
  O     19.23232988      5.31790781    -15.58048513
  H     18.61928586      5.03442845    -12.35204397
  H     17.31940072      9.59902427    -11.04619896
  O     16.63956357      5.42950152    -16.83373426
  H     18.86924207      6.52779144    -12.65194998
  H     13.63957379      5.97635794    -13.43687503
  O     16.29184296      8.84603250    -12.36005308
  H     11.06484554      6.43235437    -13.22868231
  H     14.93208309      6.39488853    -14.18612553
  O     19.40907518     11.24538238    -12.23401048
  H     12.08522014      7.23253692    -12.37955851
  H     20.32474058      8.28095370    -10.84316053
  O     17.82893819      9.95485271    -10.30319890
  H     16.20938177     12.31831657    -13.75018077
  H     19.35361803      7.11110100    -10.63573319
  O     14.57740695      5.76984063    -13.53877614
  H     15.19875649     13.40490232    -13.35949667
  H     16.09471057     10.30907920     -9.63621963
  O     19.69772421      7.90651274    -10.21149829
  H     13.45032401      9.51651496    -13.79801656
  H     14.92300952      9.37364960     -9.29275422
  O     15.13066485     10.27582301     -9.56565244
  H     12.71852815      8.21688993    -14.17021230
  H     15.47708904      4.26702073    -14.16973614
  O     16.10548001      3.69494288    -14.63032531
  H     14.39623562     11.20671527    -12.53752762
  H     16.25938386      4.12803731    -15.47950587
          69
 Energy    -247.96854120157334     
  O     -3.78410299     -0.40756844      2.60716597
  H     -3.68219604      0.33092619      3.22187989
  H     -7.25206361      1.85917535      0.69787840
  O      0.06803676      3.09815708      3.88230351
  H     -2.91170101     -0.80906662      2.49115263
  H      2.42967159      1.60565559      2.36539128
  O     -1.36009091     -1.53653408      1.91627982
  H     -0.68862199      3.53567108      3.47035790
  H      1.03785774      2.03632782      2.88710724
  O     -3.73230538      0.75806996     -2.27514331
  H     -0.29012941      2.57669801      4.61112821
  H     -5.60011731      3.57435118      2.93916576
  O     -1.71547745     -0.93813424     -1.59169558
  H     -1.01658958     -0.81171259      1.37125588
  H     -5.09963054      2.41386676      3.81699359
  O     -4.05064480      1.35411823      0.48666536
  H     -1.78136646     -2.16613094      1.31916746
  H     -3.10196940      4.41917877      2.44602994
  O     -7.98649032      1.42456090      2.39559727
  H     -3.00238381      0.12916104     -2.17176615
  H     -2.00990277      3.65039604      1.67640386
  O     -3.33793811      1.84401339      4.14588932
  H     -4.56916101      0.27672434     -2.20134397
  H     -5.11129481      5.93234249      2.14517488
  O     -3.25198028      3.44335636     -2.37581751
  H     -2.08750009     -1.67762973     -1.09615907
  H     -4.96474137      4.83907106      1.06344809
  O     -6.06202285     -0.41634581     -1.46809891
  H     -1.11070237     -0.47888336     -0.99539503
  H     -6.27578190     -1.85127813      1.14849784
  O     -1.87881105      2.89634076      0.03948485
  H     -3.94115845      0.95089435     -0.38590550
  H     -4.86489687     -1.42403298      1.59529917
  O     -6.68888031      1.99744413     -0.07171790
  H     -3.95466642      0.67855277      1.16880767
  H     -0.92230866      0.99940831      6.61457137
  O      1.51258547      1.34605047      2.38983935
  H     -8.76798096      1.81098024      2.78284121
  H     -0.66624208      0.50414385      5.17060076
  O     -5.89319777      2.78709625      3.41398154
  H     -7.22740068      1.87083675      2.81296631
  H      0.75542377     -0.00922710      3.53214675
  O     -2.28168912      3.92400824      2.56442836
  H     -2.95624238      2.53103784      3.58099845
  H     -0.35358487     -1.06799234      3.42406937
  O     -4.80851036      5.03898946      2.00338331
  H     -2.66019787      1.61398360      4.79347589
  H     -7.95045989     -0.37548853      1.90734859
  O     -5.34060044     -1.91795131      0.91063875
  H     -3.09415647      3.73179691     -3.27082532
  H     -8.68079851     -1.34171572      0.96432554
  O     -1.10157258      1.19696227      5.69949512
  H     -3.44158277      2.48903541     -2.42072066
  H     -3.83528965     -2.68333904      0.29263439
  O      0.16282412     -0.55761369      4.06150272
  H     -6.46558044      0.37847111     -1.09406897
  H     -3.01057111     -3.89071719     -0.20236779
  O     -7.94188441     -1.28220657      1.56706069
  H     -5.82799356     -0.96889456     -0.71218690
  H      0.39028699      0.81812983      1.00006032
  O     -2.94099574     -2.97182232      0.04532376
  H     -2.10166000      3.25990044     -0.82425397
  H     -0.82133834      1.40065664      0.24037851
  O     -0.34041841      0.58014713      0.41494819
  H     -2.67131898      2.39792638      0.30520874
  H     -5.93233870      3.65612776     -0.54287855
  O     -5.31378792      4.39811169     -0.58819560
  H     -5.78083235      1.82404519      0.22649367
  H     -4.63608790      4.14591629     -1.22608394
          69
 Energy    -247.96853174973737     
  O     14.79774139      6.57683857     -8.64981078
  H     15.66125785      6.39932647     -9.04263652
  H     15.89791747     10.40085960    -13.83053754
  O     15.12685154      6.24973790    -16.37885603
  H     14.68647382      7.53340627     -8.69438061
  H     13.65261126      8.45966139    -12.01617073
  O     18.13533455      8.22591010    -14.36041684
  H     14.81944562      5.72092020    -17.11078047
  H     14.98512251      8.72427481    -12.78866851
  O     11.45405226      5.59901780    -13.20085437
  H     14.33690425      6.52505321    -15.88171447
  H     12.74411426      4.68844066    -10.22365832
  O     18.97136717      5.59599985    -12.16056316
  H     17.75794932      7.33551314    -14.29859173
  H     13.29668914      5.70648622     -9.18921119
  O     13.24020912      3.80018106    -11.85293266
  H     18.98196073      8.20864804    -13.89938935
  H     21.35282860      8.15857992    -12.91805027
  O     16.94157256      9.28169477    -10.48917733
  H     11.97991061      4.89112740    -12.80773527
  H     20.21573075      8.44681781    -11.90920463
  O     11.48892235     10.88885558    -12.74926661
  H     11.13123663      6.12113635    -12.45700134
  H     15.91075694      5.75298856    -11.36804617
  O     15.14008678     10.87986197    -15.49509568
  H     18.44164993      5.44711331    -12.95277120
  H     14.85041991      6.43539649    -12.25798681
  O     12.48226795      9.90566831    -15.09856998
  H     19.57201178      6.31975194    -12.37638613
  H     17.19127726      8.62912815    -15.93500364
  O     13.03495404      7.11656227    -14.85650726
  H     14.01940438      4.37391141    -11.95687883
  H     16.00225050      7.92877440    -16.61967836
  O     16.32080699      9.89540070    -13.12596641
  H     13.54360248      2.90216918    -11.95596545
  H     16.41337086      5.76644345    -15.06036749
  O     14.29640128      8.06953440    -12.62054047
  H     16.14521828      9.39852581     -9.95619750
  H     16.36346028      5.59181667    -13.52810387
  O     12.48212587      5.32914538     -9.55263427
  H     16.73490534      9.60326909    -11.37798037
  H     18.73655674      9.28500870    -10.35634074
  O     20.42630025      8.00706166    -12.75092366
  H     11.80553665     10.55412143    -13.60560142
  H     19.94405948      8.90734773     -9.48699446
  O     15.28092670      5.58515942    -12.08126252
  H     10.77769588     11.49088362    -12.94969382
  H     11.34970891      6.39276461    -10.25531100
  O     16.46667574      8.77236130    -16.55903096
  H     15.59110059     10.15220360    -15.96041144
  H      9.88982435      6.89421119    -10.38568184
  O     16.97004317      5.70639301    -14.27451377
  H     15.29984151     11.67158331    -16.00235844
  H     17.13076922      7.39238009    -10.35859447
  O     19.69666416      9.14597532    -10.37775554
  H     12.54731889      8.94536783    -15.16773903
  H     17.87821919      6.09943915    -10.78913141
  O     10.76576096      7.00116010    -10.74650836
  H     13.36594060     10.25246341    -15.27352789
  H     14.25587644     10.00969650     -8.35083109
  O     17.16004772      6.43489816    -10.23281576
  H     12.38136737      6.53961267    -14.43588239
  H     13.75736072      9.39269440     -9.67619890
  O     14.51265340      9.43140879     -9.06507316
  H     13.51789919      7.51991517    -14.11874685
  H     11.82631359      8.47164403    -10.79204560
  O     12.46462024      9.19436137    -10.86300839
  H     16.99563464      9.34227427    -13.54917781
  H     12.09831293      9.85565263    -11.47017392
          69
 Energy    -247.96851486045045     
  O     -2.85738045      5.15924177      4.39839306
  H     -2.42751400      4.88834964      3.56716777
  H     -2.21820574     -5.03296164      2.56214185
  O      1.06169219      1.47276255     -0.03513403
  H     -2.57875935      6.05418509      4.57277592
  H     -1.59025285      1.82279151     -1.59553943
  O     -1.48227657     -0.38175167      2.93262312
  H      1.87030559      1.57995280     -0.52916739
  H     -1.56837151      3.30486762     -1.14083137
  O     -4.67535487      1.16028665     -0.00194843
  H      0.36270156      1.92955421     -0.53872310
  H     -5.27636849      3.19802602      3.75181820
  O     -3.87064781     -2.28953605     -1.77476073
  H     -0.91294211     -0.01262025      3.61705668
  H     -4.57965717      4.55622773      3.70938307
  O     -0.58396533     -0.77318768      0.33251857
  H     -2.02428777      0.36177455      2.61794126
  H     -2.73078718      5.53174247     -0.98054804
  O     -5.73003452     -1.10774252      4.46173607
  H     -5.01044038      0.29415132      0.26131545
  H     -3.51756833      4.47219037     -0.17224894
  O     -7.33069661     -0.97801466      2.26072948
  H     -3.93753669      0.96941451     -0.59887099
  H     -0.87370108      3.79451980      2.17766790
  O     -2.27390334      2.60575656      5.53636055
  H     -3.08650413     -2.70488172     -1.36799912
  H     -1.92612287      4.46234744      1.20748435
  O     -2.52435610      0.19407186     -1.46066513
  H     -4.11248442     -2.82748114     -2.52314113
  H     -5.09033892      2.98197375      0.26885789
  O     -5.20285980     -1.53082727      0.59860120
  H     -0.84317260     -0.71430215      1.26240765
  H     -5.16064072      3.98804993      1.45185813
  O     -2.47493331     -4.43834825      1.86185334
  H      0.09545786     -0.10111108      0.19618594
  H     -4.28047597     -1.83118077      3.51108892
  O     -1.00468117      2.56505906     -1.39587506
  H     -6.37414900     -1.05333609      3.73413153
  H     -2.84813097     -1.54607428      2.95858396
  O     -5.28507156      4.04709021      3.29260053
  H     -6.18513078     -1.49699332      5.20425581
  H      0.80050822      2.28968469      1.65951367
  O     -2.62928347      4.72173061     -0.48823067
  H     -6.69300603     -1.23116554      1.57367980
  H      0.44872291      2.23240239      3.17566410
  O     -1.75242471      4.20161942      2.11917005
  H     -7.90588481     -0.32708338      1.86518608
  H     -0.84546454      1.73179955      5.05229265
  O     -4.99788955      3.91478382      0.50016825
  H     -2.41052416      3.52824248      5.28888878
  H      0.50535075      1.11787755      5.48523738
  O     -3.62706185     -2.11317323      2.85997844
  H     -3.11204846      2.16636231      5.33928457
  H     -5.02102994      0.64546973      4.51027682
  O      0.55927138      2.82682818      2.42396558
  H     -1.87171964     -0.12912136     -0.82135570
  H     -4.09246831      1.53231092      3.63477387
  O     -0.07419888      1.22654302      4.73616029
  H     -2.99523298     -0.58815687     -1.77167849
  H     -1.90053820     -3.73984477      0.27797168
  O     -4.62498239      1.52031921      4.44571020
  H     -4.83374574     -1.86364432     -0.22869243
  H     -1.16597055     -2.47483058     -0.23940203
  O     -1.69841757     -3.23040364     -0.51953908
  H     -4.59137985     -1.77474975      1.30771392
  H     -3.61473333      1.57657446      1.40847444
  O     -3.03868396      1.68012783      2.17583921
  H     -2.92103811     -3.69278721      2.29268302
  H     -2.65841634      2.56671330      2.15404723
          69
 Energy    -247.96851263720055     
  O    -11.76102964     -0.45538468      0.66728797
  H    -12.39776524     -1.00670576      0.21969856
  H    -11.98350109      1.36232960      1.17081602
  O    -10.50598931      6.92848501      2.02396568
  H    -11.07825092     -0.22832390      0.00982847
  H     -9.06501236      5.53511009      4.28433013
  O     -8.78838797      0.30647901      4.24949301
  H    -10.96223480      7.62934737      1.56723247
  H     -9.65519515      6.81703452      3.66364506
  O    -12.28448397      2.16057464      6.30319633
  H    -11.15779234      6.21545088      2.16604343
  H     -9.55155505      1.20608999     -0.67442224
  O     -6.38530527      6.53018330      4.49251729
  H     -9.56015726      0.89016560      4.20006911
  H     -8.94206672     -0.20890464     -0.67157640
  O    -10.54240033      6.00159325      6.78423950
  H     -9.02975933     -0.47089381      3.72458208
  H    -11.28710690      2.07962665      3.11781747
  O     -5.61256819      3.90898406      5.53575541
  H    -12.80829979      1.37284684      6.42120066
  H    -10.24015945      2.84317026      3.95919311
  O     -7.72096013      2.23395557      6.03311663
  H    -11.81745872      2.06423673      5.45380541
  H     -6.77325081      1.95004470      2.22272174
  O     -7.55328292     -0.98795203      0.38508960
  H     -6.15657472      5.72517060      4.97158660
  H     -7.80227593      0.92990171      2.81050913
  O     -9.61419904     -1.50976694      2.33971258
  H     -7.34291434      6.63886747      4.57341587
  H    -12.24731722      4.05772338      2.10890298
  O     -5.93432231      6.13738552      1.84019885
  H    -10.59036086      6.76447039      7.35498412
  H    -12.45270445      4.85073630      3.43644237
  O    -11.80590891      2.27449313      1.43005324
  H    -10.05184879      6.27521226      5.99127397
  H     -9.15548046      5.88344805      1.21291248
  O     -9.20335696      6.48249753      4.44839265
  H     -6.30072491      3.28267581      5.81788531
  H     -7.62978545      5.66502832      1.09498239
  O     -9.71402169      0.29562865     -0.95818814
  H     -4.86169528      3.76250811      6.10589357
  H    -12.73109793      3.92674352      5.65885797
  O    -10.86699795      2.10673008      3.98727934
  H     -7.98725067      1.43010516      5.56827356
  H    -12.04611807      5.28864529      5.78944193
  O     -7.35368900      1.20913982      2.00060862
  H     -8.45291977      2.52200749      6.60368240
  H     -5.91949228      4.33252174      2.32159801
  O    -12.22646265      4.93762025      2.49865412
  H     -6.71097376     -1.38369503      0.17778851
  H     -5.78555996      3.60065300      3.68269394
  O     -8.48408350      5.28808168      0.85747195
  H     -7.36784645     -0.20095048      0.92678490
  H     -8.60894304      2.17940461      1.00356375
  O    -12.68154088      4.80033574      5.25334463
  H     -8.92522415     -1.52368283      1.66409964
  H     -8.97271942      3.61112645      0.51530777
  O     -6.06728698      3.48836754      2.76559834
  H    -10.40936389     -1.20421095      1.88689410
  H     -7.99954648      3.81058146      3.31369192
  O     -9.23840742      2.68112576      0.47015709
  H     -5.27795817      6.72969167      1.48413593
  H     -8.38415701      3.34344424      4.73339521
  O     -8.70353580      3.84463150      3.96987426
  H     -6.05894648      6.38010622      2.77508745
  H    -10.04765883      4.21266123      7.23268670
  O     -9.87582729      3.26743311      7.32395823
  H    -10.93618694      2.49288087      1.05863517
  H    -10.71628453      2.83284427      7.13170393
          69
 Ord_Energy   -247.968475    
 O  -0.141684636       1.22234082       2.72089982    
 H   0.651194215       1.49019361       3.20484066    
 H  -0.706224382      0.757125020       3.35016966    
 O   -4.35335255       1.11641848       4.94001484    
 H   -5.14784288      0.800609171       5.36144876    
 H   -4.25365067       2.05312538       5.19565058    
 O   -1.52703750       4.38424301       6.81197739    
 H   -1.37214959       4.98698139       7.53468084    
 H   -1.16867352       4.80585146       6.01015139    
 O   -2.89454246       2.25575757     -0.397456139    
 H   -3.28469610       3.09750628     -0.663357615    
 H   -3.38574862       1.96994257      0.381584406    
 O   -1.55185699       5.48527861      0.760110378    
 H   -1.70399415       6.11965084       1.47402382    
 H  -0.602950573       5.35544968      0.642577648    
 O  -0.146225095       2.21245193       8.23670030E-02
 H   -8.55670422E-02   1.67994165      0.884914517    
 H   -1.07817805       2.19983149     -0.180951223    
 O   -1.84468377       3.46106577       2.71133804    
 H   -1.19873881       2.74567556       2.63542986    
 H   -1.75941086       4.02003574       1.92706430    
 O   -5.97197600E-02   2.01293302       6.20077753    
 H  -0.572444797       2.77605629       6.49308777    
 H  -0.689431727       1.38090420       5.83340788    
 O   -3.84459186       4.96285629     -0.635018468    
 H   -4.25942278       5.80754614     -0.847761929    
 H   -2.99346447       5.17374945     -0.219084933    
 O    1.93340266       2.16765141       4.36618185    
 H    2.72767901       1.76468384       4.70687485    
 H    1.28086579       2.16033864       5.08975267    
 O   -5.46277952       4.23745728       1.49603105    
 H   -5.17812634       3.35085869       1.75112176    
 H   -4.92292643       4.48344088      0.730159104    
 O  -0.655770719       5.29265642       4.42470837    
 H   -1.15940845       4.64078283       3.91268754    
 H   0.252360672       5.24280882       4.09281492    
 O   -7.08719826       6.47262859       1.00870502    
 H   -6.71783686       5.59478378       1.17985427    
 H   -6.55753136       6.83623362      0.287991494    
 O   -4.14967489       8.59148407       1.55588090    
 H   -4.88817883       8.51434803       2.17302108    
 H   -3.39019060       8.20425320       2.00962424    
 O   -4.66719294       5.69608545       3.72716284    
 H   -5.27537966       6.44551849       3.74909973    
 H   -4.92028856       5.16508055       2.95745826    
 O   -4.02327538       3.69004416       5.61335087    
 H   -3.22549057       3.95080590       6.08789968    
 H   -4.24842691       4.41577911       5.01649618    
 O   -6.38316774       7.87698364       3.22347188    
 H   -7.10726929       8.35054684       3.62281656    
 H   -6.74510574       7.40579128       2.45061660    
 O    1.08555627       4.57780552      0.457073212    
 H   0.685439527       3.70757103      0.272065550    
 H    1.69263494       4.75806713     -0.255775273    
 O   -2.30573750       6.99375153       2.98162127    
 H   -3.12229586       6.53784609       3.23794818    
 H   -1.62418342       6.64063454       3.56720233    
 O   -5.07724810       7.50683403     -0.769267559    
 H   -4.68738556       7.93157148       1.57926492E-02
 H   -5.12124491       8.17459297      -1.44847870    
 O   -1.75894141      0.149651706       4.82048893    
 H   -2.67539215      0.465480953       4.85725641    
 H   -1.78306997     -0.779422760       5.03960466    
 O    1.74052811       4.78468990       3.23679805    
 H    1.59533691       4.70335722       2.28561974    
 H    1.91480541       3.89498687       3.56907749    
 O   -4.10703707       1.94899416       2.22851968    
 H   -3.34267616       2.51248789       2.43161941    
 H   -4.32935810       1.51480496       3.05783081    
          69
 Energy    -247.96844592951877     
  O     10.70070452     12.35377008    -13.73610134
  H      9.74795872     12.31859413    -13.72256426
  H     15.29872163     11.32656311    -18.19121251
  O     17.57917179      9.35275086    -17.10607980
  H     10.97859072     12.04272356    -14.61564869
  H     12.52487814      8.66968197    -17.75784760
  O     15.93255126     10.11217486    -10.85423312
  H     18.27041111      8.82016300    -17.49040066
  H     13.68090699      9.68408821    -17.58108281
  O     16.68435486      8.32069630    -14.75868816
  H     17.29038619      8.89938395    -16.29493738
  H     18.44547263     11.37766664    -13.11394798
  O     16.63523737      7.71058528     -9.64743209
  H     15.96929642     11.05782518    -11.05639318
  H     18.28044319     12.32772882    -14.31106684
  O     18.73739527      7.16313993    -11.28021062
  H     15.08924148      9.78363757    -11.19430949
  H     12.83711568     10.83340133    -11.70226773
  O     15.25030119     11.66065520    -14.39124101
  H     15.74765547      8.55984270    -14.70820091
  H     11.91908915     11.86750695    -12.40220446
  O     13.56340698      9.06017439    -11.89740970
  H     17.14749257      8.79295610    -14.05034002
  H     17.40290228      6.35745294    -12.40766623
  O     17.99689006      9.54172275    -12.63681391
  H     15.87754455      7.21124821     -9.97468148
  H     16.61543168      6.75936181    -13.66443849
  O     17.50875685     11.97032016    -16.03869131
  H     16.44367944      8.63179832     -9.87775408
  H     13.58790054     14.60889207    -10.72793942
  O     14.06876583      9.21806340    -14.61002422
  H     19.49057375      6.80347773    -10.82022940
  H     13.41828504     13.30977622    -11.55119992
  O     15.14796207     10.37383065    -18.19326743
  H     18.05187767      7.33266803    -10.60809323
  H     14.27178274     12.82519173    -15.34313532
  O     12.88828311      9.31162462    -17.15407169
  H     15.45602694     11.94230195    -13.49124316
  H     13.33141020     14.05268307    -15.34193296
  O     18.41822946     12.31341733    -13.35590479
  H     16.07132395     11.70531186    -14.89958296
  H     15.55640151     13.39098751    -11.81570139
  O     12.61326646     11.76989248    -11.73673447
  H     13.65295726      9.05091213    -12.86194981
  H     16.94838370     12.79669317    -12.34113888
  O     16.60378070      6.15608099    -12.91112658
  H     13.74932016      8.16130204    -11.59803105
  H     11.96728155     10.84620086    -16.55120715
  O     13.83303225     14.19355731    -11.55105662
  H     18.45203191      8.79084823    -12.23638896
  H     12.36068523     12.30868991    -16.25364251
  O     13.81843453     13.45368519    -15.92535134
  H     17.27122105      9.75838121    -12.03193544
  H     14.07358113      5.65039646    -11.03841466
  O     16.11230331     12.60821329    -11.89031651
  H     17.02421955     12.48405399    -16.69760146
  H     15.21216485      6.32346229    -11.83835553
  O     11.63472992     11.67402808    -16.18711225
  H     17.66414037     11.09941044    -16.42664598
  H     11.70462249     14.02176796    -13.85257966
  O     14.51253981      6.48503081    -11.18063040
  H     13.57843898      9.15742787    -15.43764874
  H     12.91016110     14.67474685    -13.15776926
  O     12.37914879     14.70369710    -13.96380469
  H     14.41181480     10.12458234    -14.54565003
  H     14.98181579     13.37763396    -17.22814656
  O     15.69176398     13.16973787    -17.86135351
  H     15.97819178      9.97023981    -17.91165326
  H     15.72557734     13.89068837    -18.48433153
          69
 Energy    -247.96836277519935     
  O     15.03333946      8.82783915    -15.88781870
  H     14.16051979      8.42111854    -15.83886757
  H     20.36767230      4.48009681    -16.25160734
  O     13.96475045      2.80251796    -15.77154634
  H     15.51539552      8.52000872    -15.11225780
  H     17.84806596      6.78866398    -16.37464398
  O     19.71672416      5.15085335    -17.69805789
  H     14.79088031      2.59655736    -16.24870873
  H     17.86574917      7.97419378    -17.36250210
  O     17.48647990      4.00581579    -19.09883728
  H     13.37562490      2.06632492    -15.91202678
  H     15.88523426      5.45456105    -16.10115436
  O     13.52857033      6.74254101    -10.37284216
  H     19.00748693      4.72018384    -18.18963528
  H     17.13421721      4.72202858    -15.50269943
  O     14.53121595      3.97895841    -13.24370613
  H     19.39394572      6.03654713    -17.48015737
  H     11.71680575      7.57600319    -15.53320435
  O     16.31546702      7.45479605    -13.63118774
  H     17.60236625      3.70848512    -19.99803409
  H     12.89042874      7.07847719    -14.65101795
  O     18.03887110      3.07699119    -15.05953923
  H     16.88988613      4.77459656    -19.13659335
  H     15.93019090      4.11674422     -9.94665649
  O     14.23098546      3.95182971    -10.41715040
  H     14.48999719      6.90391694    -10.42041839
  H     17.16811301      3.96826414     -9.02439527
  O     18.83556258      8.28018011    -14.07383378
  H     13.18397177      7.31784349     -9.69571423
  H     13.95551418      4.48108351    -16.56023117
  O     16.28977736      2.41056566    -17.04879447
  H     14.19117322      4.88111091    -13.30493248
  H     13.57086376      5.99254285    -16.49457777
  O     20.61312050      4.09042761    -15.39254829
  H     14.31992091      3.53250454    -14.07218147
  H     19.97220268      5.20445622    -13.95104830
  O     18.42978498      7.44731927    -16.78484292
  H     17.16402147      7.92400904    -13.66169865
  H     18.75167340      5.17090686    -13.01444253
  O     16.70067385      5.57736009    -15.59984828
  H     16.43109236      6.69698909    -14.22547452
  H     17.28756368      3.99747497    -11.62640333
  O     12.62570039      7.28956617    -15.56347597
  H     17.83166979      3.22965351    -14.12705999
  H     16.33590593      4.01448610    -12.84285181
  O     16.87493736      4.33465043     -9.85382159
  H     18.96876412      3.30674521    -15.18392609
  H     16.43983656      7.11771640    -11.65565572
  O     14.18501828      5.36019193    -16.88717682
  H     13.83515476      4.82560532    -10.30890476
  H     16.60697234      6.16168021    -10.44601105
  O     19.50908516      5.70936067    -13.27159518
  H     14.23856350      3.78446693    -11.36935714
  H     15.98241530      7.01287965    -18.89697313
  O     17.26958090      3.98680740    -12.59052259
  H     18.85800956      8.17849645    -15.03368848
  H     15.10379760      5.84120523    -18.40985366
  O     16.19366397      6.98507525    -10.73377483
  H     19.18296220      7.44519461    -13.72127214
  H     14.60143921      7.04126131    -13.25706538
  O     15.75999428      6.09154437    -19.07486757
  H     16.65261639      2.89173373    -17.80151591
  H     13.48544783      6.74755427    -12.21295939
  O     13.70444930      6.68804963    -13.15134370
  H     16.95570345      2.48065182    -16.34802891
  H     15.88423029      8.83666488    -17.41937629
  O     16.39264764      8.75347465    -18.24555533
  H     21.51001660      3.77973521    -15.47644143
  H     16.37174140      9.60767333    -18.66857388
          69
 Energy    -247.96825275321265     
  O      1.87546247     -0.94198000      4.03354692
  H      2.06289909     -0.12224081      3.56515438
  H     -2.57691934     -0.86228550      4.76111145
  O      1.48313643      2.47625591      4.87866102
  H      1.15965561     -1.37368700      3.54605098
  H      0.10717670      0.60036005      0.07117150
  O     -2.20178639     -3.45429932      7.53976964
  H      0.58605265      2.50773964      5.23561134
  H      0.69984657      0.82788929      1.48106909
  O     -0.37492172     -0.39229526      9.92503765
  H      2.07788291      2.32402739      5.62147637
  H     -3.14179089      3.96894282      3.45093993
  O      1.93851841     -4.75938557      5.78850739
  H     -1.24203307     -3.48331741      7.66095226
  H     -2.46988326      2.59814105      3.27061105
  O     -0.27675750     -1.92184457      2.58909610
  H     -2.50638463     -2.68766432      8.03825793
  H     -1.58839850      1.67006640      6.09280703
  O     -0.10847377     -4.30968128      4.07124765
  H      0.39490659     -0.97120953      9.97237948
  H     -1.57422996      2.98104696      5.28515725
  O      3.57498534     -2.39863218      5.71235546
  H     -0.08995830      0.37740108      9.41367888
  H     -2.66571755      0.21243588      2.86459961
  O      3.05721037      1.96019349      7.24950945
  H      1.22541564     -4.62363043      5.13827223
  H     -1.66693327      0.85969942      1.88531861
  O      3.58601389     -0.80799219      7.97675725
  H      2.22895929     -5.66208242      5.69103419
  H      0.50013523     -1.69492527      6.83396103
  O      1.98775027     -2.01969723      9.76582023
  H     -0.19672908     -1.25760642      1.89463780
  H      0.96365412     -0.81722535      5.62503679
  O     -2.65005592     -1.37056468      3.93950056
  H     -1.09478763     -1.71729776      3.06699154
  H     -3.48565403     -4.66193356      4.94657000
  O     -0.02096860      0.39624228      0.99435284
  H     -0.06989929     -3.59502723      3.42327466
  H     -2.62950807     -3.80939341      5.91373810
  O     -2.42641513      3.42842149      3.77466256
  H     -1.01858636     -4.31281779      4.39210842
  H      0.54561388      0.60694830      7.50015988
  O     -1.12730254      2.51658942      6.00723064
  H      3.09944481     -1.89112774      5.04051899
  H     -0.10185423      2.00686099      7.48828564
  O     -2.45427755      1.03827266      2.41199536
  H      3.14002677     -3.25862712      5.73279837
  H     -1.95410624     -0.82558923      9.31627591
  O      0.41503445     -0.82775749      6.41846299
  H      2.18066740      1.84983742      7.65798644
  H     -3.48245839     -0.82663116      9.54600789
  O     -2.80534745     -3.99464768      4.97287833
  H      3.49778646      2.65484636      7.73390565
  H      1.11006908     -3.86462973      7.16810224
  O      0.49269200      1.44049089      7.99831141
  H      3.65753908     -1.36623668      7.18715450
  H      1.09784437     -2.99912398      8.47976323
  O     -2.81130373     -1.02274332      8.89803386
  H      3.52999471      0.10210509      7.67048284
  H      1.80719769      1.91496180      3.32007716
  O      0.56556741     -3.30073544      7.73246245
  H      2.51899616     -2.31734546     10.49905319
  H      2.89086255      1.84537003      2.21738433
  O      2.05423126      1.47452903      2.48502852
  H      2.58846072     -1.55235105      9.15575703
  H     -2.55665327     -0.31075661      7.17241020
  O     -2.19688253     -0.05261483      6.31591897
  H     -2.83509393     -2.27930949      4.20756290
  H     -1.28355850     -0.38355187      6.29929358
          69
 Energy    -247.96822125032236     
  O     13.05658993     11.08656468    -15.79523776
  H     13.31317585     11.87092470    -15.29459504
  H     14.67389513     10.01004227    -10.96837324
  O     17.01803182     10.42259164    -13.84680100
  H     12.83241197     10.41338215    -15.13973107
  H     19.01738847      6.62506295    -16.16964090
  O     12.81534359      5.83677718    -12.45392409
  H     16.22305025     10.60657894    -13.33161584
  H     17.73093308      7.34085054    -15.69786869
  O     18.00105998      7.01765762     -8.47069286
  H     17.74835324     10.32374407    -13.21838180
  H     14.17482270     14.14114463    -14.20074247
  O     16.40759163     12.39181115    -15.73183897
  H     13.27374533      6.04796118    -13.27345127
  H     15.06522863     13.02160738    -14.79302569
  O     15.97868946      7.36793986    -11.99782423
  H     13.47708897      5.42692393    -11.87462647
  H     13.43361466      8.42099114    -14.03571018
  O     14.60755973     11.00788632    -12.51558478
  H     18.30631956      6.44260022     -9.19454910
  H     12.46508646      8.88226662    -12.91957391
  O     18.68371372      7.22638248    -12.70666870
  H     18.61623804      6.90398458     -7.75108448
  H     14.85421416     10.52361889    -18.36026551
  O     18.89701631      9.93011582    -11.95516509
  H     16.80956067     11.78660516    -15.09135251
  H     14.33146940     10.64360509    -16.90952017
  O     16.55439283      4.77671805    -14.27932828
  H     16.09078476     11.83181303    -16.44972578
  H     11.30809578      8.07346168    -10.74705754
  O     17.05464251      3.57924847    -11.85624383
  H     15.65453963      8.08702435    -11.44434114
  H     12.32032420      7.26354906    -11.59471235
  O     14.61260494      9.25167611    -10.36782705
  H     15.69249627      6.54691299    -11.57437047
  H     14.96200957      7.63666215     -9.03590868
  O     18.35875029      6.63182183    -15.47960562
  H     14.01637414     10.38814268    -12.96784383
  H     16.16935462      6.82793515     -8.53199821
  O     14.27215148     13.19450566    -14.25389703
  H     14.47618355     11.86367366    -12.94261205
  H     15.62192711      4.43872978    -10.99478012
  O     12.89655193      9.16578154    -13.73510406
  H     18.71153810      7.01948481    -13.64659354
  H     15.00479634      5.48732815     -9.97973654
  O     15.11614676     10.43482939    -17.44787072
  H     17.74664366      7.31579442    -12.47152473
  H     18.91806954      6.07041597    -11.30323137
  O     12.14187320      8.13866376    -11.20519275
  H     19.04063916      9.00324719    -12.18717055
  H     18.26098285      4.73572606    -10.92317210
  O     15.22378900      6.76395786     -8.72956721
  H     18.45488973      9.91722925    -11.09407917
  H     15.12334923      7.17738393    -13.51828099
  O     14.89108368      5.04740707    -10.83615824
  H     17.26036973      5.26422168    -14.72274189
  H     15.20156195      7.52293857    -15.01976655
  O     18.76546165      5.47132818    -10.55840063
  H     15.77350785      5.32903098    -14.38621294
  H     17.66647427      8.74831340     -9.18199084
  O     14.66975225      7.04575318    -14.36851907
  H     17.17080139      2.64181628    -11.98833612
  H     16.47130343      9.59469017     -9.65833182
  O     17.43078829      9.58996155     -9.59350529
  H     16.90078540      3.96776735    -12.73525440
  H     16.04336202      9.14634474    -16.49527640
  O     16.46789401      8.60493221    -15.81885189
  H     13.74219694      8.86464215    -10.53635128
  H     16.71028297      9.20615428    -15.09566422
          69
 Energy    -247.96807738038569     
  O     14.77727718     10.48704316    -14.46780838
  H     15.42229034     10.36126154    -15.17537994
  H     16.41853828      4.67258626    -17.60124710
  O     13.46461089      4.13396275    -16.42392745
  H     15.30059609     10.63322333    -13.67121975
  H     18.88924763      6.20346518    -16.69645615
  O     18.41163111      6.15748100    -12.52550039
  H     12.59664311      3.78882726    -16.61742883
  H     18.89042940      7.54965231    -17.44345982
  O     17.66978736      8.50149673    -18.66186611
  H     13.39935187      5.10596755    -16.46901669
  H     16.63790503      8.77144070    -15.89694333
  O     15.18464721      7.24009960    -18.93573753
  H     19.07718226      6.60222955    -13.06261155
  H     17.19316458      9.51666360    -17.11422518
  O     14.58407100      5.35189452     -9.89163666
  H     17.64488575      6.75210090    -12.50025754
  H     16.12226779      7.36943144    -14.37141538
  O     14.54388429      4.31533316    -13.82877146
  H     17.96790088      8.74993932    -19.53370661
  H     15.20172248      7.00358448    -15.58042967
  O     16.21330589      7.75401177    -12.60673035
  H     16.80933296      8.06731968    -18.77528749
  H     13.10638560      7.86837194    -13.62487084
  O     17.58061969      5.00362662    -16.22325306
  H     14.67134083      7.24141415    -19.74028565
  H     13.54408377      9.15691890    -14.38801955
  O     14.36810021      2.91195363    -11.39808237
  H     15.36279070      6.30556995    -18.72171775
  H     16.03577936      2.35783112    -11.38848709
  O     18.60472788     10.05870895    -14.04531182
  H     15.54655681      5.24775991     -9.99808372
  H     17.17458952      1.33683298    -11.14736178
  O     15.65589977      4.67313483    -18.19765630
  H     14.42898594      5.52558763     -8.96699388
  H     13.23207246      7.47370689    -15.87848830
  O     19.38994539      7.02437853    -16.80976059
  H     14.19419832      4.14713105    -14.71134455
  H     13.94635987      7.27696171    -17.28590075
  O     16.87568929      9.65602792    -16.21633677
  H     15.50444462      4.20974521    -13.86568271
  H     21.06996991      7.64728214    -14.22189366
  O     16.11670811      7.14675203    -15.31240567
  H     15.32600713      7.42874544    -12.40489064
  H     19.87856637      7.43532777    -15.18003331
  O     12.97257379      8.37558307    -14.43310243
  H     16.26383073      8.69449348    -12.39733716
  H     17.74788329      4.66057863    -13.30786876
  O     17.00053440      2.22952204    -11.43187987
  H     17.09231677      5.78811380    -15.92192515
  H     17.31978688      3.19955434    -13.01772855
  O     13.54520753      6.82942108    -16.53554595
  H     17.61477666      4.41621744    -15.45846506
  H     17.28711008      3.93120586    -10.56333170
  O     20.11652578      7.63104102    -14.25659221
  H     14.29483565      3.65626350    -10.78803966
  H     17.77411964      5.34554915    -10.92378910
  O     17.33183478      3.87885888    -13.70201248
  H     14.28134391      3.29674599    -12.28164508
  H     13.96923008      5.79020449    -12.90220530
  O     17.24449832      4.85412447    -10.28340720
  H     18.09489794     10.02284290    -14.86699945
  H     13.89369061      6.20859115    -11.41906049
  O     13.76920839      6.53804429    -12.31871297
  H     19.16590921      9.27492534    -14.04810401
  H     16.84603094     11.12506456    -11.59528093
  O     16.62287821     10.48784689    -12.26731554
  H     14.92572436      4.31132807    -17.68176919
  H     17.40090130     10.40371279    -12.84983700
          69
 Energy    -247.96803411590784     
  O     -5.82302538      3.60953458     -1.98746019
  H     -5.47999729      2.75968517     -2.29293627
  H     -4.01906498     -0.21433714      2.66563799
  O     -2.30295996      2.79562415     -3.87061418
  H     -5.95035791      3.49259107     -1.03696141
  H     -0.48082700      2.60340728      1.65468842
  O     -5.69548594      2.84336490      0.72774881
  H     -2.34365060      3.01892985     -4.79644135
  H      0.81075900      2.08598302      2.32205488
  O     -2.90222884     -0.97392738      1.48365245
  H     -2.65620761      3.56227720     -3.38026427
  H     -1.48353895      4.12149449      0.06837745
  O     -0.74457602     -0.62455284     -1.18940081
  H     -4.83943301      2.43796384      0.51523995
  H     -0.80963016      2.91772827     -0.69545637
  O     -4.29506621      1.24247055     -2.48652127
  H     -6.26262341      2.09743272      0.95193946
  H      2.43772780     -1.18027427      0.46124092
  O     -3.13789351     -2.19103817     -1.03877737
  H     -1.95034872     -0.93239128      1.65286518
  H      3.10358884     -1.89290184      1.66466177
  O     -0.30657832      1.93865129     -2.14888784
  H     -3.02572358     -1.52470660      0.70136925
  H      2.60032440      0.74293358      1.63934141
  O     -0.22166255     -0.51286897      1.58445419
  H     -1.54697378     -1.15066331     -1.28399180
  H      2.42261936      1.87999350      0.62469843
  O      2.09670104     -0.88396674     -1.23769567
  H     -0.57425882     -0.55319259     -0.23876444
  H     -2.48926019      2.67795977      4.64038549
  O     -6.64704106      0.25832772      1.32497521
  H     -3.65266088      1.62734167     -3.09153741
  H     -1.72403050      2.34799237      3.34759625
  O     -4.59997945      0.40815061      3.12949796
  H     -3.91194850      1.33946435     -1.59963920
  H     -5.25866209     -0.14552550     -1.70678529
  O     -0.14800869      2.14584459      2.44357423
  H     -4.00960349     -1.76248168     -1.11672954
  H     -5.91291836     -0.48756619     -0.33857247
  O     -1.12152312      3.23141685      0.16319522
  H     -3.25301192     -3.09515627     -1.31877104
  H     -2.56000389      2.10624690      0.19155054
  O      2.49551292     -1.19655888      1.43350973
  H     -0.93582236      2.21800292     -2.82625898
  H     -3.17295386      0.72180217      0.60202866
  O      2.42636718      1.68953303      1.57085972
  H     -0.53584004      1.03469364     -1.88434997
  H     -2.25140806      6.57040327      0.35920317
  O     -2.61153463      2.49735008      3.71003027
  H     -0.20615364      0.39520010      1.91747675
  H     -3.01439653      5.31450102      0.84515462
  O     -5.49600972     -0.87522151     -1.11675997
  H      0.67819300     -0.85346443      1.64985006
  H     -3.07913036      5.18359273     -1.60537867
  O     -3.32572533      1.52679951      0.09461955
  H      2.30809633      0.05059063     -1.36156199
  H     -4.28467610      4.50640889     -2.29738238
  O     -2.45395073      5.66764543      0.12991561
  H      1.14718292     -0.95742721     -1.39897728
  H     -3.47683726      3.86236970      2.66334065
  O     -3.36946386      4.79536916     -2.43686408
  H     -5.96553417      0.30649877      2.01925497
  H     -4.67437294      4.03198815      1.70410256
  O     -3.91103814      4.49396026      2.07838423
  H     -7.42898485     -0.10102459      1.73623095
  H      1.42020895      2.03643396     -1.68128131
  O      2.32254098      1.96351499     -1.32879761
  H     -4.03562557      1.15337156      3.35993089
  H      2.86910093      2.54113266     -1.85647498
          69
 Ord_Energy   -247.968002    
 O   -3.80910230      -7.80299604E-02  -2.53096724    
 H   -4.33260775      0.449855149      -1.91538942    
 H   -3.37364721     -0.761859536      -2.01090336    
 O   -1.32987165       3.82188129      -2.75382090    
 H   -1.51977181       3.05670643      -3.31022143    
 H   -1.96017444       3.75929713      -2.02258778    
 O    2.33385754     -0.696067214      -3.42523026    
 H    1.70199907     -0.332420677      -4.06982327    
 H    3.05630088      -1.05971134      -3.93118477    
 O   -2.12570572       4.51557827       1.75504696    
 H   -2.56696415       4.29037380      0.923805058    
 H   -2.48639131       3.90717363       2.41116905    
 O    3.03146839       1.39514184      -1.50625396    
 H    2.76901174      0.756136715      -2.17948747    
 H    2.49452376       2.18919539      -1.63300991    
 O    2.85116363      0.617560267       1.08480167    
 H    2.93054509      0.883143067      0.151833564    
 H    3.73578668      0.609231412       1.44137263    
 O   -2.90457273      -1.12204003       1.44129610    
 H   -2.74119592      -1.55564880      0.593675673    
 H   -2.24799132      -1.45304775       2.06837869    
 O    1.06447458      -1.58823073       1.17637885    
 H   0.856411159      -1.74552929      0.247323826    
 H    1.72256160     -0.882628977       1.17927194    
 O   -1.63509178       1.29519379      0.777953327    
 H  -0.898498952       1.47736931       1.37514663    
 H   -2.09922147      0.510307908       1.09122598    
 O   0.517464995      0.341526270      -5.18785524    
 H   0.545419157      0.808344185      -6.01920795    
 H  -0.314892650      0.608351707      -4.76405191    
 O   -3.04900956       3.28454590     -0.558336437    
 H   -3.90143609       2.87171912     -0.737726390    
 H   -2.54217958       2.61503029      -7.24828467E-02
 O   0.686055958       1.99878144       2.23186135    
 H   0.718488336       2.91368580       1.92340672    
 H    1.44950438       1.54135060       1.85845745    
 O   0.513203084       4.56327057       1.13796842    
 H  -0.435599029       4.60476303       1.35647428    
 H   0.886103809       5.40491009       1.38751435    
 O   0.379720718      -1.65342593      -1.57063162    
 H   0.172585443     -0.705981135      -1.48294079    
 H    1.09022939      -1.66601562      -2.21912766    
 O   -4.80183697      0.904420137       1.83167529    
 H   -4.27619839       9.39565301E-02   1.78635788    
 H   -4.31755161       1.50600648       2.41030145    
 O   -3.22055650       2.56324148       3.58770299    
 H   -3.59093976       2.83498907       4.42432499    
 H   -2.48391199       1.96266890       3.79585552    
 O   -1.08406234      0.924684286       4.07059431    
 H  -0.353753895       1.34472203       3.59365058    
 H   -1.01439643      -1.58317294E-02   3.87138247    
 O  -0.193771482      0.956480801      -1.44150567    
 H  -0.772275746       1.02577150     -0.668685794    
 H   0.344418049       1.75694096      -1.44901478    
 O   -2.31317329      -2.18075705      -1.11273837    
 H   -1.37323558      -2.07105184      -1.32786024    
 H   -2.57463765      -3.02565098      -1.47348022    
 O   -5.31023073       1.60201454     -0.744586229    
 H   -6.24356747       1.75543392     -0.865643561    
 H   -5.18597889       1.35757494      0.189770848    
 O   -1.67412782       1.16261625      -3.75915861    
 H   -1.14318907       1.12052894      -2.94837093    
 H   -2.51849771      0.758764088      -3.51725388    
 O    1.06733966       3.43591380      -1.45745337    
 H   0.300875634       3.68437219      -1.99919045    
 H   0.938989460       3.85372472     -0.597874522    
 O  -0.786031246      -1.78039432       3.13555217    
 H  -0.578980505      -2.53809619       3.67587304    
 H   -9.50422511E-02  -1.72655594       2.45034742    
          69
 Energy    -247.96800129844627     
  O    -12.20662140      7.87497867     -0.21808578
  H    -12.34347807      7.18971436      0.44765434
  H    -10.63687942      7.60990389      3.71293427
  O     -5.68065573      9.22319483      1.45470323
  H    -11.99047677      7.43144163     -1.04862920
  H     -8.04948007      8.53856362      3.75100462
  O     -7.77926594      8.85812813     -1.89768324
  H     -6.34600263      9.36105409      2.13735888
  H     -7.21255944      9.64534476      4.42214580
  O     -6.27709910     10.96081004     -0.75709292
  H     -5.88171291      9.84037996      0.74033968
  H    -12.56263398     10.88596908      3.66468853
  O     -7.01493343      6.12919953     -1.71585772
  H     -7.12809351      9.52994255     -1.66556747
  H    -11.86581302      9.59730155      3.16620773
  O    -10.54000448      4.08514975      1.42460560
  H     -8.45890325      8.91715452     -1.20790764
  H     -8.85098803      6.88363903      2.80451588
  O     -9.65780187      9.04424504      0.14653252
  H     -5.63505124     11.57833992     -1.09730054
  H     -8.77588910      6.00574021      4.04118945
  O    -11.26049573      6.70696991     -2.57258945
  H     -7.10320474     11.45966197     -0.62705969
  H    -13.32874784      5.41950195      1.91921272
  O     -8.69713671      6.75086652      1.11383110
  H     -6.44031979      6.16439856     -0.94144397
  H    -11.81654569      5.24155997      1.65857219
  O    -10.21494435      9.12578546     -3.20745526
  H     -7.23760364      7.05214664     -1.90156422
  H    -11.61786871     11.24223172     -1.11867225
  O    -12.64321049     10.58360173      0.15700530
  H     -9.83026668      4.07698798      2.07779781
  H    -11.49335619     12.22977956     -2.29794007
  O    -11.51429083      7.93372078      3.47530353
  H    -10.13582781      4.22045512      0.55671656
  H     -6.92258647      6.59098692      0.95775980
  O     -7.67177624      9.42208798      3.61491582
  H    -10.57605585      8.76124777      0.05103939
  H     -5.65042214      7.43532445      1.07886880
  O    -12.01578843     10.53905514      2.96501771
  H     -9.62723011      9.79225806      0.75410467
  H     -8.90938394     11.99351822      0.56719137
  O     -8.88576338      6.92420036      3.77682849
  H    -10.88280479      7.55915043     -2.85689531
  H     -9.41388167     12.00495894     -0.89234689
  O    -12.52196471      5.90386637      1.76345003
  H    -11.69477102      6.33461401     -3.33576767
  H     -5.92748574      5.05056654      1.89689615
  O    -11.02765463     11.53827270     -1.83328202
  H     -8.98598555      7.62204695      0.80669933
  H     -5.41704555      3.61436146      2.07666307
  O     -5.95525293      6.53288302      0.91378553
  H     -9.01915542      6.11469247      0.46419481
  H     -8.54908556      3.34070889      4.14292527
  O     -8.65156698     12.21339087     -0.33856083
  H    -10.52570044      9.94106114     -2.79574837
  H     -7.65567107      4.12370751      3.15751710
  O     -6.06693516      4.23235632      2.40158438
  H     -9.27918643      9.05722009     -2.97071679
  H     -8.81448799     10.55863768      2.67243120
  O     -8.54214787      4.09423485      3.55785965
  H    -12.69101784      9.63221376     -0.01571608
  H    -10.30021788     10.98478599      2.47360746
  O     -9.41292880     11.05213411      2.09667194
  H    -12.50722445     10.66606624      1.10769793
  H     -8.57907825      5.32403143     -1.32487406
  O     -9.46286447      5.10068010     -0.99063795
  H    -11.91339158      7.23525964      2.94254526
  H    -10.09124759      5.57788077     -1.54501120
          69
 Energy    -247.96797358942416     
  O     12.33131949     12.64172381    -13.31564410
  H     11.56989676     13.19712586    -13.17148605
  H     17.69462272      6.79381985    -17.35179165
  O     15.87049226      7.08180077    -13.77607834
  H     12.52242153     12.20155496    -12.46800440
  H     14.70963756     13.22247142    -17.80492540
  O     19.08519942     11.43855961    -13.01886069
  H     16.82451509      7.19031122    -13.89163082
  H     14.79371618     12.73964969    -16.33927055
  O     16.82364633     10.52016076    -16.84339973
  H     15.54359696      6.56422184    -14.52750904
  H     15.51370866      8.72817332    -14.39761046
  O     17.71330640      8.90578206     -9.54662782
  H     19.46728290     12.28735522    -12.81298669
  H     14.40179463      9.78789971    -14.68889996
  O     14.47242028      7.67225903    -11.52972849
  H     18.11915936     11.55284637    -13.00648977
  H     13.71927357     10.96368873    -10.81653831
  O     16.35978024     11.52123016    -12.97644644
  H     16.31338019     10.12917173    -16.11652433
  H     12.43409829     10.30887219    -11.35483368
  O     16.93006717      8.08361904    -18.23119034
  H     16.28577124     11.25521552    -17.15585259
  H     11.33488805      8.00396368    -11.97252883
  O     15.97448883      6.69766830     -9.43474509
  H     18.17113112      8.82179049    -10.40368427
  H     12.86782833      8.20552286    -11.94481692
  O     14.13293616      7.60838351    -18.06868971
  H     18.36335104      9.20032401     -8.91467494
  H     18.44557337     10.23986602    -15.99199085
  O     15.21368037      5.82191912    -16.09494424
  H     14.88215734      7.24303272    -10.76656021
  H     19.23530434     10.54317962    -14.69605992
  O     17.99134175      6.03927593    -16.81006808
  H     14.97002757      7.40255173    -12.31690945
  H     18.46614372      6.85863768    -15.16727933
  O     14.79891165     12.44101157    -17.26607212
  H     16.05901083     11.18694468    -12.12167162
  H     18.79466540      8.31691527    -14.79063690
  O     15.35490649      9.63627004    -14.68463884
  H     16.07095838     10.86019293    -13.62511704
  H     18.88217336      8.21615232    -12.69951851
  O     12.81790773     11.15847342    -11.10284619
  H     15.98236208      7.90960449    -18.29550260
  H     19.10154985      9.68558908    -12.28256761
  O     12.02503480      8.62273103    -12.19647218
  H     17.00020942      8.96996094    -17.85323795
  H     12.81820186     10.03822957    -16.40148031
  O     19.16507806      9.92176351    -15.43003711
  H     16.61972339      7.42023051     -9.39783480
  H     13.70387416     10.85532892    -17.36299934
  O     18.54018537      7.45823926    -14.41490196
  H     16.47729055      5.89129907     -9.34206229
  H     15.09221535      9.35598953    -11.06550707
  O     18.94732207      8.79872953    -11.93323564
  H     13.79827461      8.47882123    -17.79232667
  H     16.21140321      9.91513720    -10.17953953
  O     13.18502230     10.04489510    -17.29530167
  H     13.55277456      7.30733851    -18.76360026
  H     15.39808376     12.75312377    -14.04332024
  O     15.44844656     10.18138039    -10.70497887
  H     16.13145561      5.74143632    -16.38645391
  H     13.91454817     13.11686763    -14.19641011
  O     14.76910671     13.17556215    -14.64174884
  H     14.77876595      6.39692634    -16.73724081
  H     12.31548520      9.51533279    -13.82504244
  O     12.57876432     10.09917222    -14.54741499
  H     18.55520697      5.50928754    -17.36683101
  H     12.44847151     11.00148833    -14.22796979
          69
 Energy    -247.96796570943476     
  O     11.93291264     11.84782239    -15.95766041
  H     11.12842408     12.28247881    -15.68768707
  H     13.58111983      9.78471436    -12.91666833
  O     14.66637757     10.11148091    -19.71028894
  H     12.07224618     11.10625738    -15.34223494
  H     17.06501956      8.25544089    -14.17753338
  O     11.79693445      7.56394277    -17.09428832
  H     14.34429640     10.17816059    -20.60560537
  H     17.86444961      9.55328045    -14.55110394
  O     13.36141803      8.21416669    -10.15055775
  H     13.88008090     10.15640875    -19.13426405
  H     14.60641352      5.40975851    -11.14527806
  O     14.75188627     12.12865946    -15.76736637
  H     12.44465068      6.86268032    -17.22695480
  H     14.60499948      6.77443735    -10.43845586
  O     17.25391021     10.89175642    -18.90903101
  H     11.48008516      7.44524016    -16.19044506
  H     14.04853320      4.90522426    -17.78499186
  O     18.40378763     11.28858559    -14.18655681
  H     13.67754063      8.83506858    -10.82878157
  H     14.51790767      6.37407567    -17.66281396
  O     13.31507005      4.43179311    -12.18691949
  H     13.24831923      8.71966810     -9.34957326
  H     15.30345857      8.36944547    -12.81181537
  O     12.50517293     10.05342129    -18.13650684
  H     13.80808791     12.28760310    -15.87343512
  H     15.77694031      7.00353396    -12.26997460
  O     14.97137411      9.34770806    -15.94270085
  H     14.87192630     11.17693920    -15.90979700
  H     11.99060983      5.75943998    -11.67469439
  O     15.33630337      7.74459709    -18.31059486
  H     17.70623533     11.16308037    -19.70541338
  H     12.02144901      7.15729691    -11.04110803
  O     14.24816166      9.77761405    -12.21663510
  H     16.34142084     10.68934674    -19.16642556
  H     14.14321943      5.77634908    -15.38571541
  O     17.48674079      8.73689497    -14.90352140
  H     19.24369356     11.66497183    -13.93862095
  H     14.70290000      6.48792801    -14.09656388
  O     15.19043897      6.10165992    -10.81044878
  H     18.14038495     11.70975810    -15.02532185
  H     17.85055190      9.25553047    -18.01205678
  O     13.99839313      5.67639539    -17.22604449
  H     13.21457232      3.49831692    -12.35440740
  H     17.89530526      8.44221200    -16.69310618
  O     15.80338870      7.57688359    -13.04972957
  H     13.57255134      4.84149840    -13.03001107
  H     13.42660547      9.48936372    -15.00254244
  O     11.47677926      6.57162012    -11.58113569
  H     12.19830677      9.19796131    -17.80106227
  H     12.15466849      8.84847926    -14.37026986
  O     14.03761279      5.87096277    -14.43122292
  H     12.24100766     10.71684893    -17.49075964
  H     11.31263170      7.02845329    -13.34340585
  O     17.89834801      8.35954883    -17.65743976
  H     15.83640964      9.16791774    -15.55044034
  H     12.39722018      6.71518611    -14.38124634
  O     12.64329495      9.67760453    -14.46241933
  H     14.93370521      8.84504596    -16.76270164
  H     16.49209687     12.48249875    -16.26922844
  O     11.55368471      7.17665377    -14.26883033
  H     15.08678874      8.43854654    -18.93025612
  H     17.44238296     11.90213890    -17.32731837
  O     17.42896609     12.35659479    -16.47707058
  H     16.28439647      7.84249431    -18.12636491
  H     15.37833449     12.06156333    -13.95404924
  O     15.80015351     11.82002570    -13.11927731
  H     14.83197757     10.53080925    -12.38985399
  H     16.73032808     11.67952698    -13.33098973
          69
 Energy    -247.96774131898644     
  O     14.07069139      5.04632036    -16.49491005
  H     14.73103952      4.47090571    -16.89618678
  H     19.42431611      5.04477737    -15.47974638
  O     17.95318484      6.54779127    -11.79091766
  H     14.07928074      4.85932745    -15.54617808
  H     19.07923575      7.93863436    -17.45946515
  O     20.01867861      6.45154687    -18.10774971
  H     18.80921283      6.74049925    -12.19092176
  H     17.92803945      7.93145681    -16.42270209
  O     17.35819338      5.84013919    -18.85678209
  H     17.34996489      7.23700773    -12.11104464
  H     15.95417791      7.19431438    -15.83043255
  O     13.60793100      6.49015550    -10.05910196
  H     20.84885379      6.38223987    -18.57039318
  H     16.70945394      7.42866347    -14.50165446
  O     14.28124607      4.73661501    -13.68169279
  H     20.16750321      6.11758638    -17.20412651
  H     12.94752695      8.29198293    -14.03809730
  O     16.25076879      8.32766326    -12.95081755
  H     16.93747484      6.69817370    -18.81203200
  H     11.73566896      8.84324779    -14.80661436
  O     17.69675585      4.41558489    -15.45385165
  H     18.29308291      5.99547080    -18.66094903
  H     16.36346029      2.16876000    -10.39102191
  O     13.28837170      3.86109038    -11.25785556
  H     13.25133860      6.81420158     -9.23652998
  H     16.33559011      3.30645071    -11.43834896
  O     19.23855083      9.53790458    -14.50682077
  H     14.54354210      6.27535006     -9.89369982
  H     14.22615536      6.79557047    -16.75189960
  O     16.26085713      3.61783249    -17.71972895
  H     15.21142935      4.58232262    -13.47439921
  H     13.80072749      8.14146382    -16.10518829
  O     20.22567954      5.58094855    -15.56268811
  H     13.78228591      4.33908500    -12.95262546
  H     21.08245997      7.55517591    -12.89015941
  O     18.45831307      8.50988826    -16.99505540
  H     16.29417782      9.22494656    -13.30451771
  H     19.88818468      8.14690170    -13.67111952
  O     16.78014185      7.00123281    -15.36371169
  H     15.32237062      8.07488534    -12.85705613
  H     17.32166734      4.99181199    -12.47776587
  O     12.68739586      8.77804676    -14.83648789
  H     17.25721099      3.97629995    -16.19068353
  H     17.28396277      4.09516621    -13.74847938
  O     15.94920130      3.00216454    -10.59828552
  H     17.35810839      5.32656973    -15.43636952
  H     16.16506078      4.75835048     -9.85823122
  O     14.45822670      7.73519614    -16.68901505
  H     14.10289660      3.44221817    -10.95040425
  H     16.89084651      6.05051329    -10.28938915
  O     20.23531658      7.33100131    -13.26824699
  H     13.23816881      4.70086339    -10.78534517
  H     13.87519172      6.42802336    -13.15041408
  O     16.94433103      4.18064418    -12.84751529
  H     19.12143369      9.28037332    -15.43167267
  H     13.57100490      7.11326893    -11.79304285
  O     16.18984055      5.71346255     -9.71724774
  H     18.45658485     10.05676972    -14.28907061
  H     16.35469255     11.66420639    -14.07333576
  O     13.69538274      7.28459715    -12.73508283
  H     16.62958491      4.38190607    -18.19759512
  H     16.38461214     10.56491525    -15.15913405
  O     16.62770781     10.76588392    -14.23791409
  H     16.18361706      2.90815527    -18.35167180
  H     15.46465782      9.32520289    -16.89048084
  O     16.11197393     10.03900448    -16.81463894
  H     20.26345017      6.13824180    -14.77714488
  H     16.96219015      9.65059929    -17.06197907
          69
 Energy    -247.96770023733751     
  O      4.40168680     -7.91886135      4.26496613
  H      5.14457331     -7.33684371      4.46886778
  H      4.35541078    -11.67346519      1.32160503
  O     -0.50340661     -3.61121665      3.22347473
  H      3.64806134     -7.31490070      4.18164424
  H      3.15202628    -10.66200939      3.04293255
  O      2.29424516     -3.34647122      3.73901106
  H     -0.27620161     -3.61728658      2.27474828
  H      3.16801128     -9.25339860      3.65952325
  O      5.02421351     -8.85412354     -1.63426115
  H     -1.24888016     -3.02598396      3.32640751
  H      0.25635606     -4.75059572      0.34730231
  O      0.19213197     -6.68849093      0.23845978
  H      1.33031342     -3.31643095      3.75002005
  H      1.25579118     -3.59022320      0.60980548
  O      6.05247504     -9.44491786      2.52113886
  H      2.55238916     -3.25156261      2.80971011
  H      5.87039134     -5.01000661      4.54735760
  O      2.42537834     -6.13527150      3.74556247
  H      5.48151939     -8.86798325     -2.47037210
  H      7.06090299     -5.79009402      5.15410574
  O      6.69240371     -7.99007407      0.28320974
  H      5.66170139     -8.53192495     -0.97025649
  H      3.98020988     -2.94283194      1.09714873
  O      1.66828455    -10.01252207      0.59639320
  H      1.03674702     -6.94192605     -0.15774406
  H      3.27845209     -4.30546981      1.02304943
  O      3.69808146     -6.01818415      1.26117506
  H     -0.34350069     -7.49222426      0.25930208
  H     -0.06637574     -6.47540516      2.06573185
  O     -0.23122465     -9.21486671      3.34163641
  H      5.50109914     -8.91980067      3.11450542
  H     -0.45302356     -5.50926591      3.21553806
  O      4.44665596    -11.80489863      2.28237967
  H      5.62655592    -10.30787094      2.46888943
  H      5.37080713     -3.08810421      3.46423551
  O      2.58501057     -9.90712771      3.25427349
  H      1.49939284     -6.33886615      3.56216087
  H      4.11437114     -3.32185999      4.31838655
  O      0.32318681     -3.83809134      0.65487021
  H      2.46955102     -5.17963031      3.87707297
  H     -1.86681505     -9.65984241      0.60149205
  O      6.34343378     -5.86088400      4.52939341
  H      6.78331661     -7.09934472      0.63515939
  H     -0.84855950     -9.28032719      1.70614703
  O      3.10825466     -3.35005956      1.04391205
  H      6.53165739     -8.55711656      1.05435891
  H      6.13363691     -3.73269242      1.55248792
  O     -0.20670104     -6.42218357      3.02251428
  H      0.71291842     -9.88846262      0.56248388
  H      6.57166068     -2.28124666      1.25071854
  O      5.07045923     -3.45279905      4.30609772
  H      1.93974105     -9.92699393      1.52167567
  H      3.10098887    -10.92792365     -0.15471963
  O     -1.02930889     -9.22943475      0.74934731
  H      3.25680198     -6.18218630      2.10440162
  H      4.42849296    -10.50924100     -0.81140499
  O      5.85612874     -2.80190709      1.60644144
  H      3.38119435     -6.66390344      0.61727755
  H      3.45300166     -8.03496688     -1.09495758
  O      4.00180511    -11.23189675     -0.33657218
  H      0.68265256     -9.48581415      3.49217487
  H      2.32622745     -8.55725561     -0.18170629
  O      2.67167221     -7.75492398     -0.60102967
  H     -0.26097081     -8.25288634      3.44012917
  H      6.50827423     -5.72144531      2.62865320
  O      6.36395612     -5.51104126      1.69756638
  H      4.68026149    -12.71950902      2.41468098
  H      5.44518324     -5.76122481      1.50554351
          69
 Energy    -247.96766164756241     
  O     10.45366957      8.34572130    -13.41845015
  H     11.27657429      8.79351839    -13.65652788
  H     15.40589926      4.23332555    -13.85984216
  O     13.43861373      5.73155648     -8.45563238
  H     10.49391502      7.49604280    -13.87271519
  H     12.93023124      5.32224181    -12.02315389
  O     17.27034155      6.70454509    -12.73538921
  H     13.68306577      4.83932208     -8.73554737
  H     14.36383559      5.50517476    -12.59325925
  O     15.24632748      2.58375801    -13.17472480
  H     14.24293869      6.25016885     -8.56860568
  H     10.44937058      8.42919090    -11.65987163
  O     16.07884942      6.99017685     -8.86929550
  H     17.68746811      7.19879589    -13.45255745
  H     10.00799573      9.13528041    -10.35513960
  O     14.84114833     10.95952957    -14.89790590
  H     16.82410933      7.35564172    -12.17536077
  H     18.84651150      8.35234352    -15.45074602
  O     13.61969446      6.86402449    -15.33309177
  H     15.82470202      2.48433040    -12.40708110
  H     17.30062988      8.35534431    -15.38354873
  O     12.68156155      2.11338009    -11.78728067
  H     14.36474187      2.34253225    -12.87016181
  H     13.51492684      7.34852386    -11.32717264
  O     16.95497488     10.29943148    -13.08409330
  H     16.47477902      7.40201600     -8.10398892
  H     12.48918461      8.42642989    -10.86855632
  O     16.74429225      2.53322857    -10.73828925
  H     16.13230615      7.64257366     -9.58740771
  H     17.03928847      5.64806638     -9.83965753
  O     14.22236293      3.52991862    -10.01670222
  H     14.15708836     10.39948671    -14.48999646
  H     17.56790058      5.59013498    -11.28873344
  O     15.36739731      5.17994152    -14.06144406
  H     14.40750563     11.75598767    -15.19199539
  H     15.12662002      8.65842495    -11.09477376
  O     13.81321438      5.65566814    -11.81475970
  H     12.74017874      6.47815187    -15.24537397
  H     16.41261058      9.33772403    -11.66944992
  O     10.60773149      8.47970410    -10.70051588
  H     14.24453061      6.22456124    -14.95693969
  H     15.02724480      7.96364466    -16.07486482
  O     18.11144430      8.32330180    -14.84465507
  H     13.16623807      2.53743408    -11.05775183
  H     15.45067386      9.43926328    -15.90083154
  O     13.38382162      8.30233512    -11.20441172
  H     12.38068837      1.26834999    -11.46226889
  H     11.81893354      5.79814654     -9.37845793
  O     17.50283852      5.08250126    -10.46882431
  H     17.49001357      9.73100692    -13.65131346
  H     10.78923254      6.69068292    -10.11009001
  O     16.09456690      8.65372240    -11.06245815
  H     16.26315848     10.65150050    -13.65776329
  H     13.25752063      8.90932589    -12.90583194
  O     15.76482867      8.57424443    -16.19396662
  H     17.09899432      3.43703656    -10.64268364
  H     13.33130401      8.35845503    -14.35852313
  O     11.04434673      5.77303725     -9.95805535
  H     17.40543334      1.93983341    -10.39396697
  H     11.08296899      5.32014653    -13.87756700
  O     13.12942862      9.14789663    -13.83432540
  H     14.19082332      4.32829925    -10.56819799
  H     10.42400463      5.35873584    -15.27482794
  O     11.01743421      5.83593352    -14.69972050
  H     15.10145156      3.14710859    -10.12936902
  H     11.64443700      3.61237336    -12.20444996
  O     11.30367647      4.50571367    -12.33566282
  H     16.12346170      5.62299178    -13.65180344
  H     11.08891705      4.88271241    -11.46542835
          69
 Energy    -247.96763758110859     
  O     -5.35179958      3.65002844     -1.91994378
  H     -6.13595013      4.11933450     -2.19009635
  H      0.59337677      1.08961639      3.48273702
  O     -1.02300603      2.00293352     -3.72831013
  H     -5.33772974      3.65952145     -0.94527133
  H      0.89411239      3.47823742     -0.43147128
  O     -5.12130116      3.52115731      0.77851187
  H     -1.59002645      2.63453547     -3.25325263
  H      1.69259954      4.06714880      0.75697240
  O     -2.07200584     -2.81443314      2.07050463
  H     -1.05240311      2.24965560     -4.64965144
  H      3.39189966     -1.52929330      1.42483728
  O     -0.26877360      0.02998198     -0.69043816
  H     -4.44027962      4.08688326      1.16359270
  H      1.93871886     -1.00971729      1.43840518
  O     -2.39062261     -0.27135506     -2.46762677
  H     -4.94266688      2.62010060      1.07109071
  H      2.68463678      0.62943363      2.69561900
  O     -3.24836498     -1.72963922     -0.10966004
  H     -2.50224028     -2.52506837      1.24526545
  H      2.65682960      2.15776607      2.82860911
  O      1.06895751      2.13984240     -1.72572223
  H     -2.38621255     -3.69564972      2.25230183
  H     -4.89673077      0.74639972     -0.82846021
  O      0.17937619     -1.22317143      1.73353585
  H     -0.98075897     -0.29693578     -1.25704512
  H     -5.08907737      1.74630839     -1.97475212
  O      3.45040780      1.56309120     -0.28333141
  H     -0.18442994     -0.53102621      0.08955110
  H     -0.31917830      3.73683605      1.63784003
  O     -2.93485235     -0.27613132      3.22085543
  H     -3.26344964      0.12399249     -2.31078523
  H     -1.71525767      4.10842313      2.23276005
  O     -0.35720028      0.98130922      3.32857775
  H     -1.91541449      0.35785451     -3.02223598
  H     -3.92906244      0.43310274      1.88465122
  O      0.84928527      4.12167554      0.28948953
  H     -3.01251405     -1.47955872     -1.00903055
  H     -3.47789399      1.22229887      0.63130238
  O      2.86436344     -0.74088397      1.32027821
  H     -3.68005301     -0.95384534      0.26980854
  H     -1.38946484      1.34816778     -0.16294648
  O      2.37740363      1.34463710      3.26561350
  H      0.70482830      1.34184448     -1.30843062
  H     -1.67916778      2.51680192      0.82855560
  O     -4.83618414      0.83482709     -1.78728691
  H      0.56172980      2.23142406     -2.53825428
  H     -1.80499202      5.05713038     -1.17520491
  O     -1.02356155      3.43510053      2.23130339
  H     -0.50106800     -1.88919919      1.89033961
  H     -0.57543244      5.25801698     -0.26453395
  O     -4.23702605      0.76279975      1.02717521
  H     -0.03722786     -0.45703881      2.28745780
  H     -2.40275726      3.05393843     -1.35151303
  O     -2.02308561      2.04115494      0.06224182
  H      2.74611370      1.72516649     -0.92413451
  H     -3.52104411      3.71737954     -2.19497189
  O     -1.44862833      5.61594530     -0.47216082
  H      3.25306026      0.72086019      0.14608537
  H     -2.52558480      5.49779588      0.90136642
  O     -2.56390265      3.61128104     -2.13075008
  H     -2.69787286     -1.18669153      3.01069517
  H     -3.26682295      6.12825822      2.10679490
  O     -3.05805302      5.29506459      1.69202730
  H     -2.10263903      0.16935590      3.42547133
  H      3.43575450      2.84307732      0.89750421
  O      3.27132252      3.52514915      1.57470866
  H     -0.66097597      1.84768174      3.02486516
  H      4.09205966      3.99416990      1.69974073
          69
 Energy    -247.96738897535488     
  O     -4.43256379      0.80523617      1.26083924
  H     -5.03659180      1.53595282      1.16214711
  H     -1.44428045     -4.93330438      0.59603347
  O     -3.11641232     -2.84246833      6.53086834
  H     -4.14788177      0.79879118      2.19297658
  H      2.23305280     -0.09179953      3.30814077
  O     -0.95698912     -0.08606050      3.89304245
  H     -3.28362634     -3.72512939      6.17953503
  H      2.31760531     -1.53323125      2.79574341
  O     -3.63712681      0.66974658      3.81205587
  H     -2.19836396     -2.63337543      6.30745049
  H     -1.71677311     -2.46765551      1.64759217
  O      2.13760669     -2.21501483      5.88317963
  H     -0.23948699      0.50856486      3.64508182
  H     -1.47836694     -1.07050995      0.98916784
  O     -3.51320482     -5.24848912      5.00723366
  H     -1.08258579     -0.67546198      3.13160578
  H     -3.38637460     -3.80496756      2.18698048
  O     -0.56531836     -2.32766957      5.49608050
  H     -4.10523873      0.02648540      4.35817380
  H     -1.98710306     -4.29942076      2.61885059
  O     -4.84458479     -3.35558777      3.26352705
  H     -2.69352659      0.49493900      3.92947476
  H      1.68986643     -2.23923975      0.57646389
  O     -2.15669449      0.14519480     -0.24149568
  H      2.36981554     -1.74973521      5.06083230
  H      0.53250984     -2.19733682      1.58862323
  O      1.19534439     -5.07847830      2.35462604
  H      2.85347113     -2.05111084      6.49059570
  H      2.16156408     -1.59192964     -1.90271168
  O     -0.59971285     -3.03942309     -1.58437926
  H     -2.59179276     -5.17372479      4.70641190
  H      0.79028290     -2.05681708     -1.35578532
  O     -0.67148567     -5.24185579      0.10169443
  H     -3.65263828     -6.16544831      5.23070862
  H      0.96403180      1.19923548      1.79908425
  O      2.62225225     -0.95181986      3.50498019
  H      0.36778330     -2.33676621      5.75399591
  H      1.42428066      2.30023040      2.77949359
  O     -1.18210071     -1.66476215      1.68896217
  H     -0.70763299     -1.50523070      5.00798284
  H     -0.38732123      0.73547059     -0.07084386
  O     -2.52358470     -4.06780060      1.84602613
  H     -4.93926526     -2.60689089      3.86729182
  H      0.98191178      0.08392001     -0.32585128
  O      1.44518965     -2.50266499      1.47180915
  H     -4.55261382     -4.08977870      3.81901107
  H     -3.89850433     -2.16567831     -0.69346031
  O      1.58761650     -1.53565925     -1.14413159
  H     -2.50808648     -0.53473187     -0.83109311
  H     -3.87054579     -2.25853613     -2.23290619
  O      1.16005262      1.38523119      2.73474302
  H     -2.91116726      0.49145958      0.25405213
  H     -4.29819594     -1.82013391      5.78798043
  O      0.55279554      0.81221063      0.13932351
  H      2.04965845     -5.47312197      2.51053745
  H     -5.70458583     -1.17860209      5.84862642
  O     -3.31721331     -2.10326353     -1.47132398
  H      1.36027310     -4.17030842      2.04711085
  H     -0.79154272     -3.84853082      4.56147340
  O     -4.96957485     -1.34631379      5.26453725
  H     -1.52320453     -2.76698989     -1.58813438
  H     -0.18970514     -4.90712158      3.58311784
  O     -0.98247935     -4.66695583      4.07847999
  H     -0.56557345     -3.86105115     -1.07228610
  H     -4.85930706     -1.02246374      0.96756949
  O     -4.93800255     -1.95545510      0.72864876
  H      0.01770032     -5.35808296      0.76409812
  H     -5.06999031     -2.44001467      1.55041587
          69
 Energy    -247.96737071084061     
  O     12.29099595     11.37275232    -15.37315003
  H     13.10995724     11.80034941    -15.64539375
  H     13.71525910      5.56932027    -14.04326892
  O     14.49741719      6.48470444    -12.65292402
  H     12.32390450     10.48332384    -15.75425150
  H     17.38291522      7.53489564    -13.07294015
  O     18.03943929     10.77836976    -13.16055599
  H     15.45362804      6.43573558    -12.53411011
  H     17.52948826      6.08723404    -13.48726236
  O     17.39652815      8.62676558    -14.89696214
  H     14.12809559      7.01730912    -11.93472122
  H     15.78444208     10.80249462    -16.80938184
  O     10.99967220      6.91947446    -14.96965705
  H     18.03098075     10.01604672    -13.75409304
  H     16.78247114      9.66414908    -16.48918887
  O     15.70244129     10.58334980     -9.40824643
  H     18.18134665     10.45691299    -12.26080622
  H     13.99854760      8.74584334    -14.98213301
  O     13.37585993      8.20952747    -10.81101456
  H     16.43239084      8.61911123    -14.77753563
  H     14.54408136      7.93661900    -13.77087796
  O     15.37632426     11.23832328    -13.45801597
  H     17.65351419      7.73894681    -15.17681361
  H     11.65199780     11.29156752    -13.75960646
  O     15.44213540      5.83310964    -16.59153711
  H     10.10189800      6.61306548    -15.06300913
  H     10.54062586     11.74998241    -12.78693267
  O     15.10302434      7.88142670     -8.63406499
  H     11.04923833      7.38816500    -14.11652285
  H     17.44120259      6.96165236    -10.86385386
  O     17.81396765      5.85659196    -15.36993656
  H     14.96532226     10.84956643     -9.97267209
  H     17.78535822      8.26084040    -10.11682418
  O     13.34716541      5.28861870    -14.89302762
  H     15.43986381      9.74722793     -9.00363646
  H     11.84802263      8.15081325    -11.96059866
  O     17.31970017      6.63989589    -12.72259422
  H     13.84853967      8.03226712     -9.98818573
  H     11.16530201      9.28929640    -12.73999182
  O     16.18312815      9.99847275    -17.16546587
  H     13.50990945      9.14769033    -11.00708715
  H     17.30772648     10.34284748    -10.06697188
  O     14.69576679      8.71851517    -14.31563341
  H     15.07727179     10.35359453    -13.72229257
  H     18.82952297     10.54100379     -9.88069161
  O     11.30082125     11.17872651    -12.85801375
  H     16.33127432     11.18848808    -13.30248258
  H     14.56794947      8.07851722    -19.12357155
  O     17.39625428      7.38411207     -9.99787404
  H     15.14116398      6.53555822    -17.17675278
  H     15.15751991      8.76745970    -17.86946486
  O     11.21612078      8.32813437    -12.66757457
  H     14.68220388      5.57819262    -16.04645136
  H     14.30418967     11.16078657    -12.03287162
  O     18.18162358     10.07804984    -10.40680671
  H     15.09762140      7.42828451     -7.79558879
  H     12.79692353     11.12541846    -11.72281785
  O     14.55642139      8.06250650    -18.17022578
  H     15.92200557      7.61889472     -9.09211632
  H     15.12902869     12.02730765    -15.01432584
  O     13.66427614     10.96165996    -11.33298663
  H     18.42638003      5.30671922    -15.84937295
  H     15.28126684     13.18494279    -16.02810345
  O     14.95842098     12.29187537    -15.93517248
  H     16.95507012      5.78836837    -15.82837832
  H     12.05823905      8.07463648    -15.93877544
  O     12.65890814      8.76881454    -16.24000444
  H     12.49037577      5.72493161    -14.95644607
  H     13.17539638      8.43984271    -16.98626560
          69
 Ord_Energy   -247.967300    
 O    6.50318670       3.00184488       1.40221965    
 H    6.99592066       3.81649065       1.57431531    
 H    5.73903370       2.97459650       1.98885155    
 O    3.95113635       1.00430739      0.391512930    
 H    4.81638718      0.970280588      -3.59017104E-02
 H    3.30522418      0.941526830     -0.322181463    
 O    1.31354976       6.04797697      0.224072367    
 H    1.81122744       6.61921740     -0.392987341    
 H   0.464938194       6.45985079      0.358085632    
 O    2.26436925       1.19044352      -1.88459647    
 H    2.10904241       2.13309526      -1.69538093    
 H    1.45634604      0.843359768      -2.25218821    
 O    5.64913845       7.23987150       1.46570420    
 H    5.52116013       7.50693321      0.543541849    
 H    4.86481333       6.74870777       1.74050701    
 O    5.52156496       8.02650738      -1.21033537    
 H    6.26958656       8.63586521      -1.20517635    
 H    5.77511120       7.26823950      -1.75718558    
 O    2.20613098       3.83403063      -1.29756331    
 H    1.74027300       4.49396324     -0.770781219    
 H    3.14651036       3.92903590      -1.08160114    
 O    9.87002659       7.25421143       1.98188102    
 H    10.7443037       7.27054882       2.36067200    
 H    9.97453880       7.38322783       1.02128541    
 O    5.03229380       4.20652485      -4.58616829    
 H    4.95272303       3.38564825      -4.06635427    
 H    5.28725576       3.94987011      -5.46777964    
 O    8.79368687       2.45543575      -2.02990890    
 H    8.79180717       3.38685393      -1.76006043    
 H    9.66443062       2.28457737      -2.37955761    
 O    6.50096083       1.45989132     -0.856289685    
 H    6.61380720       1.89059579       4.13152995E-03
 H    7.31580162       1.66200733      -1.33850789    
 O    3.53024387       5.48651075       1.82924855    
 H    2.67863369       5.67185307       1.41052473    
 H    3.52733684       4.56874037       2.13271499    
 O    2.76746106       7.43370914      -1.54260874    
 H    3.66021037       7.78300142      -1.44337487    
 H    2.76755095       6.88885164      -2.34402418    
 O    9.85716724       7.56315136     -0.717783868    
 H    9.48868465       6.73354578      -1.05006194    
 H    9.20977402       8.25097942     -0.915279627    
 O    4.80078936       4.41786766     -0.434627354    
 H    5.40397882       3.79364777      -1.58967301E-02
 H    4.41351795       4.93344212      0.284961700    
 O    3.86021399       2.75171638       2.48667932    
 H    3.81986928       2.12208652       1.74405897    
 H    3.62178040       2.26199555       3.26980829    
 O    7.70051241       9.13205242       1.84145010    
 H    8.45837116       8.57482243       2.05773497    
 H    6.92374182       8.55802917       1.89603746    
 O    6.13742733       5.65188456      -2.47638106    
 H    5.62427330       5.20936966      -1.78092945    
 H    5.85941982       5.25285244      -3.30882239    
 O    4.77063227       2.00228190      -3.04093194    
 H    5.39016199       1.82238686      -2.32168746    
 H    3.92805767       1.62128317      -2.77096343    
 O    2.69034743       5.52268076      -3.56744766    
 H    3.44583058       5.14006996      -4.02844191    
 H    2.42315006       4.85857058      -2.91976404    
 O    7.82930231       9.60814381     -0.839168906    
 H    7.98320436       10.5261669      -1.04704201    
 H    7.79118681       9.54201031      0.132131889    
 O    8.52490616       5.11743689      -1.21717441    
 H    7.73994684       5.32994127      -1.74382889    
 H    8.26395226       5.17164850     -0.287789762    
 O    7.76932669       5.44794703       1.49725068    
 H    8.53448486       5.95161057       1.79984522    
 H    7.01977825       6.06129599       1.48985076    
          69
 Energy    -247.96729815736512     
  O     -0.23685153      2.52443113     -1.72304203
  H      0.51276486      1.97384017     -1.45755844
  H     -1.52275620     -0.38349504      3.05479451
  O      0.17906595      5.06926112     -0.50760832
  H     -0.04352886      3.41631057     -1.41185494
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  O      0.95383030      1.69246274      1.89990840
  H      0.92909368      5.16244736      0.10985055
  H      0.56771462     -0.24628422      4.28487690
  O     -2.57459732      1.25918668     -1.28452269
  H      0.03054702      5.92992683     -0.88902496
  H      3.62187462     -0.55624148      2.38935489
  O     -3.14237935      2.06288892      1.33332321
  H      1.62733275      1.97034346      2.53240357
  H      5.07735325     -0.37426999      2.87641626
  O      1.74606549      0.89362461     -0.61963652
  H      0.31759256      2.41307804      1.80260648
  H      3.43863413      1.48731021      3.54577167
  O     -1.60880740     -1.02104537      0.15118980
  H     -3.06525959      1.22815518     -2.10114093
  H      2.35615400      1.58746798      4.65593423
  O      2.13543305      5.27109697      1.31376987
  H     -1.74161778      1.72849808     -1.47414237
  H     -3.58220217      3.06905635      2.93494981
  O      4.63295749      4.31567190      0.68440745
  H     -3.10320863      1.83219199      0.39631442
  H     -2.80995428      3.81505656      4.05296821
  O      0.92077865     -1.79949517     -0.45983655
  H     -2.90002621      1.26273750      1.82287340
  H      1.50774361      0.19044886      6.64034387
  O     -0.84146120      4.21147760      4.28038576
  H      1.47707263      1.16635334      0.27220707
  H      0.47989790      1.08835573      5.90332144
  O     -2.44117594     -0.22923075      2.78758324
  H      1.53699453     -0.04553274     -0.68828209
  H     -4.34092240      0.76833288      5.66083408
  O      0.23628588     -0.49057550      3.41279697
  H     -1.95309992     -0.29537216     -0.38411750
  H     -3.69433829      1.80952505      4.71664215
  O      4.29174189      0.10807798      2.63171078
  H     -1.97755355     -0.90187282      1.03407853
  H     -0.96046627      2.73066685      5.36164408
  O      2.81950581      2.09378532      3.97334534
  H      3.02943528      4.97105739      1.09036392
  H     -1.85056129      1.51454211      5.71548028
  O     -3.62548043      3.33678962      3.86274062
  H      2.03735087      5.15962960      2.26390618
  H      3.50129792      1.38868149     -0.22327685
  O      1.31521014      0.59401028      5.79894509
  H      4.54844906      3.36616855      0.49333163
  H      4.38829642      1.10004851      1.00217908
  O     -3.57560080      0.92833558      5.11525140
  H      5.39592192      4.61191028      0.19539376
  H     -1.73165288      3.14913659      1.40487022
  O     -0.99197759      1.91742267      5.88476425
  H      0.86522551     -2.51126871     -1.09165107
  H     -0.69771097      4.19972298      0.84947325
  O      4.32626440      1.64529461      0.20966942
  H      0.00551278     -1.56605051     -0.22149693
  H      1.96396840     -1.81010069      1.12806114
  O     -0.94771133      3.67349843      1.61783641
  H     -0.90161797      4.06056260      3.32375261
  H      1.59486941     -1.44138814      2.56868250
  O      2.34391818     -1.67663303      2.00456899
  H      0.06173785      4.52012995      4.41566134
  H      2.59530448      5.24989489      4.68312692
  O      1.98471604      4.72290660      4.17218415
  H     -2.91255915      0.01497170      3.59335393
  H      2.36493095      3.83025010      4.12658627
          69
 Energy    -247.96719927656437     
  O     16.55126630      9.52427016     -9.42375858
  H     16.93750236      8.68953566     -9.14151320
  H     13.57932839      7.14372800    -16.80290221
  O     15.52723937      8.74382692    -14.38214150
  H     17.08824114      9.81906953    -10.17234974
  H     16.37679135     11.84818687    -13.86075511
  O     16.71300596      8.43791106    -17.62567074
  H     14.89856650      8.68039608    -13.65323449
  H     15.05455975     12.55850749    -14.25065656
  O     13.70517493     12.50260251    -15.57717585
  H     15.81607597      7.84361428    -14.57354004
  H     18.19287890     10.19413674    -14.96546972
  O     18.27144289      7.69176383    -11.71117684
  H     16.24755713      7.59499890    -17.58214314
  H     16.86282508      9.87389621    -14.26310697
  O     15.71925359      6.44481825    -11.90518911
  H     16.03680437      9.11249103    -17.47350150
  H     17.31404535      6.29350082     -9.06423598
  O     18.13377989     10.46456437    -11.58179113
  H     13.03959516     12.03700721    -15.03803714
  H     18.52737390      6.80041233     -8.24881949
  O     12.05559307     11.11318033    -13.94277650
  H     13.26583260     13.24898076    -15.97570661
  H     18.19729947      8.81478169    -16.77418081
  O     16.22145524      5.99651394    -14.63339479
  H     18.31211434      8.65813033    -11.68336301
  H     19.69615745      9.18852035    -16.84024815
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  H     18.34879106      7.39640133    -10.79541577
  H     15.88301325      5.46830274    -10.40809015
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  H     16.54535400      6.94941601    -11.88826779
  H     15.80157462      4.18693284     -9.55746880
  O     12.93996670      7.83282105    -16.58780383
  H     14.98826478      7.07902847    -11.91804329
  H     14.92193342      9.62774241    -15.84177607
  O     15.65042621     12.38365278    -13.51230497
  H     18.04743828     10.49275968    -12.54518302
  H     14.35438990     10.94714249    -16.42327003
  O     17.58926969     10.51740853    -14.28760448
  H     17.86595148     11.34384625    -11.27774032
  H     15.18579777      5.22167508    -17.56372075
  O     17.94270355      7.02910380     -8.96652199
  H     11.84150124     10.18501599    -14.09118518
  H     15.50193863      5.93485201    -16.22899563
  O     18.97391994      9.04720364    -16.23403563
  H     12.52929727     11.14663864    -13.09989021
  H     18.75604604      7.15802813    -13.46616890
  O     16.12714827      5.08270875     -9.55004124
  H     17.17554292      6.18008040    -14.62321106
  H     18.95469120      7.61042860    -14.94325129
  O     14.63626490     10.05807556    -16.66367400
  H     15.94181863      5.93365684    -13.71201951
  H     14.52308338     11.48137500    -12.36055774
  O     15.13239752      6.06425034    -17.11987698
  H     12.11978243      8.06963866    -15.07332993
  H     14.08421540     11.28637184    -10.88451154
  O     18.77425294      6.84744733    -14.38153956
  H     10.83199627      7.86913216    -14.24171364
  H     16.20566136     12.62416420    -10.33212701
  O     13.86346820     11.05498737    -11.79505119
  H     13.76097608      9.25997370    -11.98944304
  H     16.45057373     12.91832194    -11.82669965
  O     16.89090374     12.86103815    -10.96833291
  H     12.96855195      8.24248215    -12.87224685
  H     15.44218488     10.83571413     -9.22154841
  O     14.87869821     11.63053661     -9.26600177
  H     13.39507216      8.66685128    -16.76938797
  H     14.61730024     11.83576998     -8.37307037
          69
 Energy    -247.96715895197207     
  O     -0.61394593      1.87145038     -3.10363340
  H     -1.12146257      2.64642450     -2.87724572
  H      1.66937442     -1.45968683     -3.39518660
  O     -0.27932850     -4.18927445     -5.45956507
  H     -0.36257068      1.96651694     -4.03979287
  H     -1.27529859     -5.93473412     -3.33780785
  O      0.00330565     -5.36372958     -1.96358380
  H      0.53077864     -4.23487600     -4.93684316
  H     -2.61309177     -5.40490735     -3.89116881
  O     -1.80499236     -3.38187760     -1.48224240
  H     -0.84571940     -4.91047241     -5.14677598
  H     -4.65737239     -3.70174576     -3.71074152
  O      2.10107283      1.32365244     -2.35269698
  H      0.07388903     -5.89820031     -1.17641970
  H     -3.23764231     -3.20272636     -4.06337705
  O     -0.41262807     -0.60270010     -6.53301818
  H     -0.58745119     -4.62225632     -1.74213392
  H      3.40324585      1.42264239     -5.30830229
  O      5.03314019     -2.07439064     -7.13576773
  H     -2.57315678     -3.57786346     -2.03310078
  H      3.12874643      1.11597035     -3.79998432
  O     -0.98087743     -0.87667497     -2.51529906
  H     -1.57780231     -2.46282303     -1.67292633
  H      4.75735229     -0.57543652     -4.32958146
  O      3.99931721     -3.08534409     -2.49885939
  H      2.01413976      0.37632132     -2.18056157
  H      5.29755432     -1.67061839     -5.25594507
  O      0.12494885      2.01655922     -5.70952185
  H      1.20358301      1.63223870     -2.52538500
  H      0.21860038     -1.02669777     -9.67359347
  O      2.74774551      2.23773806     -6.85212260
  H     -1.14089173     -1.03587465     -6.07283725
  H      0.22797448     -1.01061931     -8.12668550
  O      1.68889013     -1.47690671     -2.42511754
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  H      2.31612977     -2.08675937     -5.55746331
  O     -1.86431204     -5.97731376     -4.10176595
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  H      2.50742420     -0.60264382     -5.09333881
  O     -3.73187615     -3.85806629     -3.54247762
  H      4.38806125     -2.74649607     -6.85155960
  H     -1.64561273     -1.67024977     -4.01884559
  O      3.59830995      0.80948189     -4.59074769
  H     -0.97188123      0.07768464     -2.65785132
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  O      5.17359597     -1.44974025     -4.32631595
  H     -0.05731667     -1.13632383     -2.37597724
  H      3.85376310     -0.73458856     -7.85553077
  O      0.72158465     -1.30426543     -8.91169887
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  H      2.43974806     -0.57078503     -8.47805670
  O      1.86355722     -1.31875246     -5.18993144
  H      4.66052964     -3.35250873     -1.86622353
  H      2.41267326     -3.88743518     -6.91924923
  O     -1.98961173     -2.12174164     -4.80406852
  H     -0.16420209      1.17569254     -6.08910716
  H      2.83688117     -4.20499945     -5.44910847
  O      3.21073116     -0.08449020     -8.16192283
  H      0.99360078      2.19139947     -6.08949689
  H      2.69463899     -4.13936962     -3.31650641
  O      3.07705506     -3.70234985     -6.23595461
  H      2.91804437      1.43323471     -7.37523768
  H      1.37785046     -4.93430219     -3.14895657
  O      2.01400737     -4.62053127     -3.80563268
  H      3.13880264      2.96417565     -7.33002990
  H      0.85207027     -3.12963884     -8.36627499
  O      1.00914919     -3.98993220     -7.95915888
  H      2.45493238     -2.01468693     -2.20003960
  H      0.39460159     -4.06948825     -7.21540533
          69
 Energy    -247.96707606685607     
  O     -4.37489532      1.31397854      1.43987694
  H     -4.79552646      2.16078223      1.31989380
  H      2.80595547     -2.22086083      2.83139755
  O     -2.60207162     -1.39259405      7.59896289
  H     -3.41517950      1.47677477      1.47764574
  H     -0.88936551     -1.26311590      2.51194965
  O     -4.20884929     -0.50609202      3.58352653
  H     -2.21193126     -0.70145910      8.12845600
  H     -0.68799483     -1.17740522      0.97113586
  O      1.82608789     -3.26965249      5.66141889
  H     -1.90227774     -1.69901111      7.00141712
  H     -1.79794024     -4.67830535      1.07755813
  O     -0.79600461     -2.27270988      5.67442918
  H     -4.40284243      0.19293128      2.94797985
  H     -1.59632152     -3.24582476      1.65152660
  O      0.52529460     -5.40058555      4.18561557
  H     -4.33676101     -1.34493761      3.11701223
  H      1.03340814     -2.39975075      1.58718133
  O     -4.94967777     -4.19274890      4.79796042
  H      2.33331024     -2.79141078      4.98367429
  H      1.84899063     -3.70924180      1.39165688
  O     -1.67975486      1.55529047      1.64484968
  H      2.44515454     -3.51775305      6.34352492
  H     -3.78834942     -3.35996033      1.97805701
  O      1.40892116     -5.38368433      1.54481810
  H     -1.28786891     -3.00015598      5.26459403
  H     -4.90029889     -3.43049995      3.04580796
  O     -0.56253683     -3.40148624     -1.69000594
  H      0.12248051     -2.55915277      5.74394356
  H      1.87151896     -2.04681539     -0.26608635
  O     -0.87498174     -5.63976217     -0.19319053
  H     -0.40514931     -5.21862187      4.36438422
  H      2.48102300     -1.59805175     -1.61512913
  O      3.16121786     -1.94149720      3.69024916
  H      1.01808796     -4.75325236      4.70295790
  H     -1.15110865     -0.85174415      4.56728296
  O     -0.62633013     -1.76906799      1.73128090
  H     -5.59452245     -4.76884272      5.19834373
  H     -2.41965561     -0.32619863      3.84802152
  O     -2.16067633     -4.03260764      1.69405774
  H     -4.96470972     -3.35835169      5.30274021
  H     -1.27021639     -0.38818814     -1.00468815
  O      1.91262605     -2.74100503      1.36319150
  H     -1.43673755      1.07180540      2.44497345
  H      0.26201890     -0.41273935     -0.75908822
  O     -4.61762730     -2.94492781      2.26132692
  H     -1.20672495      1.14285916      0.91047094
  H     -3.27229219     -1.36206200     -1.17469511
  O      1.66256273     -1.64739163     -1.12828334
  H      1.10154374     -5.48936221      2.45815816
  H     -2.99754032     -1.20003980     -2.68638464
  O     -1.45328838     -0.26004490      3.86542835
  H      0.66408122     -5.59986002      0.97309972
  H     -4.13903013     -1.63431194      6.64150096
  O     -0.56584884     -0.02158262     -0.45181966
  H      0.22793080     -2.86002988     -1.58455682
  H     -4.70327091     -1.19056932      5.26947980
  O     -2.57332675     -1.38621337     -1.85272382
  H     -1.30181421     -2.78539809     -1.76612544
  H     -3.06730027     -4.42337357      4.67518409
  O     -4.85251593     -1.79475482      6.00829271
  H     -1.09963133     -6.38212385     -0.74734340
  H     -2.10148276     -4.31374030      3.47689528
  O     -2.13263106     -4.37943943      4.44281009
  H     -0.74485355     -4.87541630     -0.78312227
  H     -4.50704402     -0.30713336      0.47113995
  O     -4.46411604     -1.17458768      0.04965739
  H      3.55578013     -1.08485641      3.54794215
  H     -4.65969903     -1.82339954      0.73676686
          69
 Energy    -247.96704115530153     
  O     -1.31647332      4.99408237      3.80647445
  H     -1.15289127      4.29756209      4.46775873
  H     -2.18536953     -3.46137337      4.94085825
  O     -2.55177236      3.62807748      1.58431593
  H     -1.52487239      5.78797234      4.29184204
  H      0.03388106      2.43887395      2.26054403
  O     -0.61516685      2.95275905      5.46943668
  H     -1.93558704      2.88379368      1.67108651
  H     -0.90071424      1.35255010      2.88487915
  O      0.97275207     -3.46358804      2.34557940
  H     -2.30172424      4.23687017      2.28704828
  H     -2.80493713     -0.81271108      1.77799366
  O      0.29162030      0.15397595      0.04685068
  H     -1.08086124      2.13872662      5.22575824
  H     -3.84849906      0.18064287      2.32684328
  O     -2.02784647     -1.30750334      0.14316257
  H      0.32074045      2.73542857      5.41303017
  H     -2.20113976      0.10083096      3.87489961
  O     -4.54226736      1.60772176      1.45272639
  H      0.98405849     -3.51273120      3.30898178
  H     -0.75500060     -0.00057730      4.47634246
  O     -3.59224127      0.60930989     -1.09179891
  H      1.47341429     -2.67095828      2.11214954
  H     -0.00097419     -3.43423111      5.45255657
  O      0.71148533      2.38615741     -1.59641673
  H      0.52465769      0.76371857     -0.66199121
  H      1.44270327     -3.86283753      5.81222403
  O      2.07399338     -0.90998715      1.87613432
  H     -0.04847115      0.71163676      0.76837230
  H     -1.37067540     -4.72163317      0.67502827
  O     -2.97236506     -3.22202659      3.40334361
  H     -1.84770605     -2.22909686      0.36681042
  H     -0.52539465     -3.74257921      1.52316386
  O     -1.68930114     -3.54828931      5.77326228
  H     -1.17225317     -0.86348491      0.04551788
  H      4.70811336      1.41762705      2.21587821
  O     -0.58784791      1.72971176      2.05253321
  H     -4.37770610      1.32589331      0.54452413
  H      3.37462998      1.90462912      1.60174956
  O     -3.28283650     -0.56299675      2.57980315
  H     -4.01674632      2.40981280      1.57028550
  H      1.00077651     -1.51141614      4.82738706
  O     -1.53769605      0.56458339      4.40393194
  H     -3.08508224     -0.12681095     -0.71203632
  H      1.28054969     -0.72826025      3.52340810
  O      0.93645462     -3.32188657      5.21248987
  H     -4.14258660      0.23640525     -1.77644733
  H      1.63069379      1.09858074      4.61271303
  O     -1.38892518     -3.86248963      1.08823571
  H     -0.21419172      2.63834688     -1.42667109
  H      2.73397308      1.82536172      3.84764949
  O      3.76139314      1.32517792      2.28330346
  H      0.89037147      2.60426082     -2.50710871
  H      1.40209340      3.38551462      3.42513901
  O      0.95542013     -0.63351211      4.43015525
  H      2.75775142     -0.23980931      1.99656948
  H      0.32255540      4.44554458      3.03637284
  O      2.01643204      1.97569441      4.47709913
  H      1.50175388     -0.59290150      1.16259413
  H     -2.16623675      3.36491713     -0.26437872
  O      1.05892280      3.92290170      2.69602631
  H     -3.23823921     -2.31475259      3.20221848
  H     -2.48476876      2.15926949     -1.16795477
  O     -1.89872316      2.92129326     -1.07912372
  H     -2.49953036     -3.53616648      2.62401668
  H      2.02859452      3.49992799      1.18567850
  O      2.53811141      2.99253903      0.53744877
  H     -2.31540753     -3.38011932      6.47202724
  H      1.95138153      2.83466794     -0.21056827
          69
 Energy    -247.96699898469336     
  O     -0.38668295     -2.43050552      0.06987581
  H     -0.52224352     -1.47632212      0.16121245
  H     -3.71881338     -6.85922750      0.61314474
  O     -3.15209498     -0.71324379      6.95514010
  H     -1.25333401     -2.81129460     -0.13860220
  H      0.05508982     -7.21596364      0.22390862
  O      2.18569317     -0.64160513      2.95667829
  H     -2.28267777     -1.12761623      6.87251439
  H     -0.03883176     -6.69607510      1.66688005
  O     -2.63805643     -0.03296618      2.69077670
  H     -3.78434425     -1.44180742      6.99399341
  H      3.19334476     -3.49256867      3.91964946
  O      1.59510573     -3.50892060      6.79134483
  H      2.34590219      0.28677653      2.80789184
  H      2.82746618     -2.01073282      4.10702393
  O     -4.82748823     -3.00677086      6.65822892
  H      1.26585140     -0.71901701      3.26181609
  H     -0.43336466     -3.22012076      1.67868723
  O     -0.81197573     -2.13131264      6.34603657
  H     -3.15369041     -0.82195010      2.46475998
  H      0.05657217     -4.32805874      2.68245099
  O      0.10193653     -5.61595872      5.56731863
  H     -3.09946304      0.40247124      3.41833062
  H     -3.12641804     -5.22977941      2.52811228
  O     -5.67593000     -1.43263428      4.37852690
  H      2.13157718     -3.24784092      6.02136286
  H     -2.06558207     -4.20426543      2.99115575
  O     -0.96416556      0.26441778      0.48869411
  H      2.19037008     -3.57248755      7.53332770
  H      2.97785551     -3.95144002      1.78876944
  O      0.90604597     -5.91653387      2.96719062
  H     -4.06290604     -3.56402767      6.43786378
  H      4.16477838     -4.91000732      2.05431057
  O     -3.14998024     -6.15176081      0.90479632
  H     -5.36372796     -3.50906645      7.26664781
  H     -3.78933792     -3.09430663      2.60741521
  O     -0.56798752     -7.01398845      0.91772654
  H      0.01194401     -2.54523955      6.62964591
  H     -4.84327346     -2.00287958      2.87336630
  O      3.01134922     -2.82473959      4.59146504
  H     -0.62833889     -1.70968102      5.49384308
  H      2.30174999     -1.88302740      1.50250340
  O     -0.49972062     -3.54578447      2.58766766
  H      0.63771899     -4.97052556      6.04534557
  H      1.45560206     -2.60996989      0.43930297
  O     -2.92930706     -4.58570151      3.21846684
  H     -0.81477976     -5.38795662      5.75666125
  H     -0.37630877     -2.03705644      3.43330362
  O      3.32230756     -4.62833758      2.40043887
  H     -5.47630510     -2.00383617      5.13064920
  H     -1.13526265     -0.68128851      3.47223413
  O     -4.17628493     -2.29096302      2.23297801
  H     -5.25673256     -0.58616483      4.57477575
  H     -4.31366344      1.71880566      5.30108023
  O      2.31058273     -2.62836675      0.88822413
  H     -1.58457466      0.26171876      1.23443747
  H     -3.66399273      0.37257428      5.69884898
  O     -0.36160394     -1.14483983      3.81723142
  H     -1.31901649      0.88676721     -0.14254602
  H     -2.70645687     -4.45804651      4.97977023
  O     -4.01926203      0.88325716      4.94897494
  H      1.80629960     -5.58644510      2.85547278
  H     -1.93323570     -3.57135785      6.01989377
  O     -2.51879658     -4.33701808      5.92373758
  H      0.67546709     -5.90605358      3.90950004
  H     -3.04916887     -4.36915668      0.12958886
  O     -2.94225268     -3.43680507     -0.09277238
  H     -2.23969530     -6.49503787      0.88292216
  H     -3.47521547     -2.95225132      0.55089811
          69
 Energy    -247.96691824117434     
  O     10.12840938     12.99806793     -9.45024017
  H      9.45459525     13.41190332     -8.91810166
  H     11.42160501     13.41336862    -12.47283312
  O     12.78512120      8.56472219    -15.95881465
  H     10.89547168     12.84554486     -8.86816028
  H     14.46918537     13.55328775    -14.52058961
  O     10.24491440     10.27655774    -10.35527878
  H     12.99233831      9.41285824    -16.36789386
  H     14.39689169     12.01057646    -14.50258732
  O     13.31611725      8.51240341    -13.25353847
  H     11.82352656      8.55279140    -15.86312119
  H     17.42001296      9.94109982    -11.81789992
  O     14.59742125     14.27263057     -8.48295020
  H     10.03639962     11.17025306    -10.06033013
  H     18.28033911      9.66037801    -13.07298703
  O     13.15987746     11.24011904    -17.07138079
  H     11.06922428     10.04291500     -9.90579175
  H     13.12950484     14.82466740    -11.19595206
  O     10.95541464      9.97462304    -12.96214739
  H     12.49792534      8.97266826    -13.01484495
  H     14.52284505     15.09719876    -11.78070362
  O     14.37555983      8.06508678    -10.61800585
  H     13.24526718      8.34727060    -14.20570375
  H     13.29966393      9.19510635     -9.59882262
  O     13.73162163     11.77668256    -11.28472987
  H     14.39701284     14.64937402     -9.35918981
  H     13.09736182     10.64155507    -10.04874707
  O     12.36951178     12.46547328     -8.02344559
  H     14.73790475     15.00894125     -7.89391071
  H     10.86893427     12.29444439    -14.85255463
  O     17.21755656     13.03293709    -12.12547292
  H     13.59233345     11.45747264    -17.89417667
  H     12.27384571     12.70262866    -14.34633243
  O     11.73925341     13.73342476    -11.61727590
  H     13.50548069     11.85741404    -16.40746971
  H     15.15117358     12.05102081    -10.30663395
  O     14.02857552     12.80061015    -14.93155602
  H     10.62624737     10.04161453    -12.05395775
  H     15.67927764     12.88881591     -9.13639341
  O     17.59849890     10.23123540    -12.72777637
  H     11.12532775     10.87039747    -13.28074784
  H     15.86776845     10.47668540    -13.34494927
  O     14.00027268     15.18792763    -10.97693706
  H     15.21249206      8.54029861    -10.59454953
  H     14.43370298      9.85585226    -13.47598881
  O     12.85515528     10.01511749     -9.34883591
  H     14.06511391      8.09407193    -11.53296784
  H     10.11011102     10.57447228    -16.13528461
  O     11.36497765     12.54224250    -14.05925361
  H     14.08537122     11.45459243    -12.12242618
  H     11.25108989     11.38766972    -16.77081273
  O     15.93505481     12.19017372     -9.74899962
  H     13.07745385     12.46568876    -11.45297916
  H     16.53887255     10.52121872     -9.88422238
  O     14.94544820     10.67550539    -13.53966019
  H     12.62123485     11.56964642     -8.28742734
  H     17.17946744      9.21969230     -9.35027485
  O     10.36880723     11.47037888    -16.38686910
  H     13.14562376     13.02656704     -8.13173213
  H     15.99056521     15.45089529    -13.75306715
  O     16.84623943      9.63534716    -10.14221744
  H     16.87157611     12.86648669    -11.23833085
  H     16.14835684     14.11381389    -12.99439057
  O     15.50046516     14.70173339    -13.42194700
  H     17.50211688     12.17226248    -12.45099799
  H      9.29440858      8.24852046    -15.15178331
  O     10.01574253      8.85750231    -15.28601589
  H     11.08300292     13.51803812    -10.94234661
  H     10.26785399      9.18992379    -14.40698299
          69
 Energy    -247.96686679862964     
  O     -3.74411327     -5.36163265      3.09861328
  H     -2.93182364     -5.89523642      3.01200514
  H     -4.24653718     -7.80380092     -3.81175617
  O      1.81981707     -2.87688911     -3.16800536
  H     -3.88926434     -5.23045278      4.03093356
  H      3.91307834     -4.37257986      1.73355591
  O      0.74809554     -7.56428513     -0.17122510
  H      1.93457570     -2.67591881     -2.22168253
  H      3.31727906     -5.15209235      0.53536832
  O     -5.23057646     -8.57599989     -2.38599309
  H      2.17532908     -2.13657322     -3.65182084
  H     -3.54944520     -9.00415390     -1.63967336
  O      2.76982638     -5.60238623     -3.14737114
  H      0.18432952     -8.22854001      0.23917605
  H     -2.11461921     -9.13209762     -2.21537621
  O     -1.35511306     -8.82254783     -3.89501587
  H      0.63686647     -6.75529761      0.35061342
  H     -4.53567901     -3.69629858     -0.61038442
  O     -2.75829246     -6.34528858     -0.77954456
  H     -5.61944525     -7.77199590     -1.99837155
  H     -5.57690290     -2.82595391     -1.34955585
  O     -0.65257542     -4.15681378     -2.77964771
  H     -5.94876984     -9.19296843     -2.50090177
  H     -4.66260560     -6.53236217      1.85354640
  O     -6.25179486     -6.35244259     -1.20878835
  H      2.54926699     -4.66700430     -3.22664938
  H     -4.13163377     -6.89644985      0.46441760
  O      3.37111087     -6.46587913     -0.57880790
  H      1.92435532     -6.07001064     -3.17258417
  H      0.02435749     -4.59540707      0.87994265
  O     -1.26285075     -9.19268704      1.00441825
  H     -1.11987423     -9.39351886     -4.62099280
  H      1.39628390     -4.98798985      1.48162029
  O     -3.57914769     -7.39722266     -4.37890633
  H     -2.13360256     -8.30620022     -4.17611034
  H     -1.64774579     -3.34379168      0.21228270
  O      3.14962820     -4.42730556      1.16598022
  H     -2.96619585     -5.94199314     -1.63340389
  H     -0.76450161     -3.59456232     -1.04152349
  O     -2.61945607     -9.09800816     -1.39200863
  H     -2.52443208     -7.25948298     -0.97065652
  H      0.99411457     -2.56349960     -0.24978397
  O     -5.10170503     -3.65173602     -1.39865292
  H      0.12062851     -3.64733117     -3.05205946
  H      2.42271605     -3.04643584      0.07545924
  O     -4.87545950     -7.04243480      1.06390778
  H     -0.38020248     -5.08790661     -2.76918542
  H     -0.77899067     -6.25657832      2.32251436
  O      0.47983167     -5.27775776      1.39217723
  H     -5.94735834     -6.57857906     -0.31537540
  H     -1.49382057     -7.61572282      2.14698371
  O     -0.74495098     -3.28635349     -0.12362857
  H     -5.98951089     -5.43771121     -1.34987988
  H     -3.00643693     -4.87262801      0.20742227
  O      1.92290650     -2.44639784     -0.49153110
  H      2.61549719     -7.04713124     -0.43449696
  H     -3.50722468     -4.32737297      1.56207710
  O     -1.50720308     -6.79848900      2.65665345
  H      3.30015251     -6.16283121     -1.49657552
  H     -0.25448176     -7.48362473     -3.22417642
  O     -3.29372351     -4.06144602      0.65923820
  H     -1.27202551    -10.05465090      1.41410024
  H      0.38624545     -7.08060559     -1.86378523
  O      0.20966442     -6.77476597     -2.76567465
  H     -1.80404792     -9.26216307      0.20115896
  H     -2.41358498     -4.49115958     -3.11935223
  O     -3.28451811     -4.91318695     -3.15526396
  H     -3.51293176     -6.47533215     -4.09294313
  H     -3.92112492     -4.34698289     -2.70220862
          69
 Energy    -247.96679403017470     
  O     18.83523106      8.68967337     -7.38492086
  H     18.76898026      7.77968919     -7.07110657
  H     16.28404885      8.90533461     -9.35772625
  O     17.86983575      5.04062411    -10.20298593
  H     19.67886401      8.74360242     -7.85254904
  H     17.31362962      9.91851882    -12.88749915
  O     19.65756901      5.00882464    -13.08535611
  H     17.53885368      4.73820337    -11.05542025
  H     16.59915599      9.88971298    -14.26049727
  O     19.30422793      7.77106361    -13.26749548
  H     18.22942211      5.93089211    -10.34292035
  H     20.88322797      4.80231380    -11.85550467
  O     22.81538982      7.15067441    -10.78515727
  H     19.59363783      5.94380437    -13.32481876
  H     22.01013848      3.86573965    -11.38314793
  O     16.85186809      4.55301573    -12.71691491
  H     18.74745743      4.68958889    -13.07169691
  H     12.86014138      6.02344820    -11.60706582
  O     21.75175554      9.00117051    -12.73115086
  H     18.56042731      8.27842906    -13.60998271
  H     14.04504773      6.26364195    -12.56290817
  O     13.92991024      4.21057929     -9.10798202
  H     19.14442460      7.69907153    -12.31240162
  H     14.16751625      7.33523864     -9.65402392
  O     21.02271132      8.71811681     -9.22777658
  H     22.40984395      6.28385635    -10.94822482
  H     15.50434996      6.86673743     -9.03431354
  O     18.82608732      7.59503319    -10.55282543
  H     23.75046230      6.99784263    -10.66959545
  H     15.59153054      7.28836804    -11.43030201
  O     18.70496092      5.92459422     -6.64417604
  H     16.10232793      3.98383137    -12.50248427
  H     16.09359654      7.88287840    -12.78563496
  O     17.08013781      9.45238557     -9.36742731
  H     16.51181244      5.46103417    -12.69888683
  H     21.29538487     11.70685213    -11.08727463
  O     16.96646604      9.32941768    -13.58246624
  H     22.19365856      8.34716914    -12.17716780
  H     21.17399345     10.29422626    -11.71172448
  O     21.60152448      4.70934812    -11.20433617
  H     20.95186151      8.57305987    -13.06900088
  H     16.77341644      5.23486077     -8.88040792
  O     13.26964394      5.70331514    -12.42076841
  H     14.72396897      4.51096772     -8.64585815
  H     16.90956803      5.65201373     -7.41293102
  O     15.11234966      7.52732485     -9.62347427
  H     14.21903254      3.80398284     -9.93371038
  H     11.70080273      6.52345620     -9.27844037
  O     15.72260449      7.09614693    -12.36874458
  H     21.72628706      8.19344098     -9.62893541
  H     12.93465421      5.60643345     -9.47069936
  O     20.80673602     10.88950038    -11.03362422
  H     20.96045240      9.53688409     -9.74019635
  H     17.59492642     10.49389047    -10.75433099
  O     16.25389705      5.47841014     -8.09570388
  H     18.15051786      8.21623760    -10.25072230
  H     18.92570786     10.90748119    -11.41637928
  O     12.51492128      6.43557461     -9.76599457
  H     19.62807280      7.83874429    -10.07402752
  H     20.79459787      4.72009442     -9.34806011
  O     17.97929088     10.82650353    -11.57912956
  H     19.28579473      5.50245317     -7.30046132
  H     19.29093456      4.64018364     -9.18205600
  O     20.11304740      4.70309353     -8.67090709
  H     18.98231999      5.60038259     -5.79068455
  H     13.97772735      2.57788438    -12.17849245
  O     14.45789009      3.32419260    -11.82828752
  H     17.59780205      9.25954111     -8.57043488
  H     13.96838997      4.12270545    -12.09772293
          69
 Energy    -247.96646795767182     
  O     12.35462267      9.22470808    -14.80271381
  H     11.96421497      9.00564551    -13.94734273
  H     18.95476211      6.36252740    -14.85722961
  O     16.35172397      5.60293265    -12.11627307
  H     12.77525706     10.08660610    -14.70767983
  H     16.50997008      9.83851150    -15.69146221
  O     17.69754400      9.95216495    -11.63830109
  H     15.66467853      5.78077799    -11.45960791
  H     15.20935742      9.14722910    -16.17624776
  O     13.40207543      4.85360044    -14.95481612
  H     17.14802528      6.08703458    -11.85561979
  H     15.03768214      7.51240676    -14.41897564
  O     15.08398619      9.18315065     -8.29119718
  H     17.77238803     10.10502902    -10.68784819
  H     15.85498854      6.96799385    -13.20035768
  O     14.30281883      6.29157475    -10.39788548
  H     16.76498102     10.09912623    -11.85259538
  H     10.34088017      8.26985570    -12.14697275
  O     15.02599065     10.11574836    -12.42503448
  H     12.94058997      4.10327957    -15.31991474
  H     11.61817462      7.43122653    -12.39592683
  O     16.36665232      7.21691123    -17.40516111
  H     14.32486923      4.57475913    -14.80702460
  H     18.40168909      7.11845693     -9.75705236
  O     15.71791757      6.39195293     -7.98858857
  H     15.20185823      8.25437214     -8.05647453
  H     18.09663224      8.23621061     -8.74704016
  O     17.98765231      5.37040152    -16.17967432
  H     14.40117677      9.19916944     -8.97432620
  H     13.05056895      5.81788567    -11.76380109
  O     15.97272193      4.27149257    -14.49925913
  H     14.71427701      6.19455223     -9.52946146
  H     12.76249158      5.48967060    -13.25910977
  O     19.35035523      6.97695865    -14.22798477
  H     14.01988659      7.21491216    -10.45953267
  H     17.97322539      9.77090599    -13.60396159
  O     15.72125783      9.96057226    -16.24306321
  H     14.70335483     10.72778515    -13.09603003
  H     17.09143294      8.67752901    -14.21695876
  O     15.62415913      7.76245421    -13.69692229
  H     15.16336518      9.26263142    -12.86869970
  H     18.24684862      8.15717935    -11.63075607
  O     11.27676862      8.34135169    -12.31615753
  H     15.47508435      7.15288869    -17.03331565
  H     18.95480965      7.05372790    -12.46215335
  O     18.13302645      7.27643633     -8.84204515
  H     16.53939111      8.15660268    -17.49200091
  H     17.84388725     10.75438972     -8.17842836
  O     12.39119451      5.89102925    -12.46576223
  H     16.61670750      6.62968052     -8.28098799
  H     16.66994674      9.85163984     -8.62571121
  O     17.76873582      9.33773755    -14.44123867
  H     15.81601474      5.83981256     -7.21788826
  H     13.69229412      6.49835989    -15.69927960
  O     18.52616665      7.23152138    -11.61218162
  H     18.47448767      4.88422658    -16.84126857
  H     13.31730361      8.01330214    -15.61111168
  O     17.59136259     10.09873655     -8.82300965
  H     17.45121099      6.02641823    -16.65574346
  H     12.57556029      8.83047011    -11.02747888
  O     13.98690427      7.38902530    -15.93510184
  H     16.17718113      4.59449697    -13.60950252
  H     13.98061119      9.45221286    -11.14540866
  O     13.40140708      8.95798574    -10.54609900
  H     16.69333383      4.56597498    -15.06820684
  H     13.96748483     12.42859448    -14.97435179
  O     14.07924806     11.52962342    -14.67635579
  H     18.99861183      7.84589494    -14.46023975
  H     14.67967978     11.09684987    -15.30668682
          69
 Energy    -247.96634224440166     
  O     15.32767428     10.15559297     -8.93737479
  H     14.95877114     10.55246620     -9.73871119
  H     13.41421123      7.93045633     -9.89315166
  O     12.65547028      8.79393448    -15.83543150
  H     16.26834030     10.04898108     -9.11846599
  H     16.92608245      4.68791675    -16.31904238
  O     15.54703373      5.62264443     -8.84884855
  H     13.19212055      7.99032785    -15.83876470
  H     17.64652783      6.04323729    -16.21305350
  O     18.05803203      9.72503244     -9.80926061
  H     13.26282705      9.52685980    -15.99216326
  H     12.25138571     11.08303186    -13.61940541
  O     17.06986053      7.49841913    -13.12443933
  H     15.40485451      5.24774347     -7.98406844
  H     13.42187763     11.59712946    -14.47351580
  O     14.51414017     10.83907777    -11.54740894
  H     14.93086789      6.37454443     -8.93245137
  H     10.24164552      9.42240341    -13.86075381
  O     18.17817124      5.29482510    -11.89498465
  H     18.02729067      8.75309122     -9.74805764
  H     11.64407225      9.17213780    -14.46679926
  O     16.90124090      7.75244346    -15.89314890
  H     18.78546356     10.00882902     -9.26190339
  H     15.32400482     10.91499259    -15.72579788
  O     15.15752875      3.97256722    -16.12169983
  H     17.55687595      6.76139432    -12.73405168
  H     14.47035332     11.62049914    -16.80100508
  O     14.38269831      6.61092806    -15.55864414
  H     17.14234551      7.44780953    -14.08578154
  H     12.18679718      8.82084498    -12.23580391
  O     16.04993192      3.00388573    -13.75116643
  H     15.38621174     10.63764507    -11.90905576
  H     13.46251819      9.35578155    -11.54381863
  O     13.95036831      7.75096609     -9.11275651
  H     14.00607343     11.29264313    -12.23516740
  H     15.48628884      4.75812619    -10.49104782
  O     17.79604829      5.08981709    -16.19779114
  H     18.54703411      4.73670501    -12.59044180
  H     15.03289101      5.19383398    -11.90366521
  O     12.96311395     11.73571511    -13.63699095
  H     17.29505396      4.94674535    -11.69772084
  H     18.21823215      6.43395021    -10.36694883
  O     11.17396657      9.47687666    -13.66980279
  H     16.91422176      8.70816833    -15.77834265
  H     17.13544486      6.58750357     -9.29032621
  O     14.41678741     11.04793779    -16.03845035
  H     15.97581259      7.46136187    -15.86792948
  H     19.56400041      3.16718225    -14.38637627
  O     12.88792026      8.57916867    -11.61907874
  H     14.76245394      3.27044146    -16.63151322
  H     18.54463824      4.22366540    -14.87596994
  O     15.52999086      4.51384789    -11.42454156
  H     15.39467707      3.59217019    -15.25654625
  H     15.34589014      7.02934122    -12.82871542
  O     17.91905831      7.01521261     -9.65727028
  H     14.31238992      6.58939120    -14.59164133
  H     13.87390673      7.29838584    -12.37529251
  O     18.83036881      3.70559706    -14.10230616
  H     14.53862507      5.70162758    -15.84157825
  H     17.08300022      9.15761287    -12.62580463
  O     14.45230616      6.65644146    -12.80905342
  H     15.78892088      3.38012624    -12.90042432
  H     17.50602787     10.15736000    -11.53785152
  O     17.10439786     10.10539413    -12.41430905
  H     17.00963345      3.09072143    -13.80016245
  H     17.80387184     11.02767381    -15.38822849
  O     17.01408827     10.56216820    -15.12113901
  H     14.41866366      8.57728805     -8.92145064
  H     17.05747215     10.48699632    -14.15281597
          69
 Energy    -247.96633694632570     
  O     -3.77435866     -0.10893008      2.94817677
  H     -3.43420895      0.66153645      3.42050203
  H     -6.02096836     -2.53157556      1.40181084
  O      0.60388515      1.55243544      2.06162320
  H     -3.00355222     -0.61634135      2.66557597
  H     -2.90917519      2.55944370     -1.14153677
  O     -1.37515862     -1.52069654      2.30646094
  H      0.00112369      2.30156978      1.96614613
  H     -3.45846981      1.80128166      0.08628391
  O     -4.27726254      0.33706272     -2.72542903
  H      0.39844249      1.15221587      2.91508355
  H     -6.16763858      2.33974309      0.76479445
  O     -2.03527229     -0.48825049     -1.12506574
  H     -0.72105373     -1.20911266      1.66743831
  H     -7.17658357      3.12242318      1.63574311
  O     -4.91558832      1.08950702      0.75002192
  H     -1.97917890     -2.07732378      1.78920391
  H      1.29761439     -0.86350525      0.12891129
  O     -7.35499546      3.01030092      3.47236514
  H     -3.48763810     -0.08725838     -2.36725889
  H      0.54360595      0.27161830      0.85787449
  O     -8.50090809      0.87214916     -0.13612248
  H     -5.02512944     -0.04851548     -2.24939326
  H     -4.38948999      4.27642535      3.09351432
  O     -2.45142991      2.06393806      4.08900608
  H     -2.24051915      0.41356455     -0.83726028
  H     -4.01312426      3.12419096      4.04702446
  O     -3.96926476      3.04527535     -2.61526529
  H     -1.13302281     -0.63118159     -0.81618567
  H     -2.07681181      4.17815432      1.83623587
  O     -6.26236934     -0.63347406     -0.98609114
  H     -5.30648226      0.43035546      0.16167314
  H     -1.83463680      2.90014498      1.02252989
  O     -5.91343627     -2.93713520      0.52067402
  H     -4.59633546      0.63584154      1.54142920
  H     -3.55857331      6.28835319      1.78475019
  O     -2.63840565      2.11212113     -0.33112846
  H     -7.85401638      3.47653324      4.13757918
  H     -4.05950414      5.10878856      0.92254479
  O     -6.92000765      2.95405237      0.71987230
  H     -6.41655647      3.21712002      3.63326430
  H     -6.84352963     -1.01269051      2.88988086
  O      0.42403656     -0.54054683      0.33451022
  H     -9.32912131      1.12641581     -0.53551402
  H     -5.31411965     -1.18329775      3.05936377
  O     -4.75181708      3.66964335      3.75068504
  H     -8.02333943      1.69425641      0.06747564
  H     -0.02796668     -0.39169618      5.05797500
  O     -1.53030123      3.38396553      1.80679232
  H     -2.10783731      2.52653689      3.30929257
  H     -0.77296937     -0.56699464      3.71639449
  O     -3.57121030      5.33602225      1.73344357
  H     -1.75229101      1.46368006      4.37447711
  H     -7.82841423      1.18592880      3.03710367
  O     -6.12775892     -1.66456690      2.86529041
  H     -3.72232568      3.36390666     -3.47952270
  H     -8.31446240      0.42538014      1.78843201
  O     -0.42328680      0.09362816      4.33820493
  H     -4.14965589      2.09306189     -2.71390850
  H     -2.85012484     -1.91658490     -0.15194579
  O     -8.06701535      0.30923855      2.71231205
  H     -7.11557304     -0.23393634     -0.77398860
  H     -4.01492168     -2.74973538      0.45352588
  O     -3.06632833     -2.59286681      0.50431967
  H     -6.21422141     -1.48956323     -0.53834181
  H     -5.79761353      4.16786512     -0.13053896
  O     -5.02951677      4.65004390     -0.46580044
  H     -6.29316930     -3.80986183      0.56805346
  H     -4.72896860      4.16699962     -1.24415939
          69
 Energy    -247.96615291445639     
  O     11.61622808      8.84183243    -14.04903966
  H     12.04285702      8.81183428    -14.91785549
  H     19.21859831      9.95355169    -12.73541347
  O     16.69804371      6.53896797    -14.48608291
  H     11.77490289      9.73246179    -13.71906287
  H     14.19697543     11.79715725    -16.01311813
  O     16.59285104      9.24058454    -10.72694789
  H     16.05905064      5.92163616    -14.09995852
  H     15.10707529     11.97454740    -14.79048016
  O     16.67601059     11.11445371    -14.22872721
  H     17.29536136      6.78138209    -13.76755613
  H     14.47120988      8.79664729    -14.95563185
  O     13.52744718      6.16585768    -17.38456691
  H     15.71453073      9.45013848    -11.07635351
  H     15.68179656      8.02781081    -14.35529015
  O     12.87833921      7.75870781    -10.21567301
  H     17.15656482      9.99137670    -10.94901447
  H     12.52581842      6.77950347    -11.83809713
  O     14.89031591      5.00698436    -13.08579372
  H     17.40414979     10.96288447    -14.84500351
  H     12.19440979      7.36194176    -13.22291107
  O     14.08099847      9.62757756    -11.84950921
  H     16.14105264     10.30527685    -14.23503854
  H     16.92074944      4.31638618    -10.27921184
  O     16.74884603      9.57759860    -17.53774353
  H     13.12875949      5.70953624    -18.12090063
  H     16.19878023      5.68579302    -10.23661576
  O     18.88434114     10.27812721    -15.75161617
  H     13.28496690      5.66762638    -16.58450392
  H     12.44880892      5.42353276    -14.40986743
  O     16.31388292      6.88138612    -17.24031376
  H     12.17109016      8.15542489     -9.71272618
  H     13.68437678      4.57340924    -14.59463521
  O     19.52213494      9.23991934    -13.30974902
  H     13.24883963      8.45814503    -10.78173224
  H     18.30756516     12.21235076    -11.67844243
  O     14.21188562     12.14359380    -15.11265162
  H     15.40539532      4.92700711    -12.27430790
  H     17.53608183     11.32573942    -12.68618361
  O     15.12881427      8.81174789    -14.24871184
  H     14.13401236      5.58425302    -12.90267175
  H     17.49562550      7.90307191    -11.64848115
  O     12.53122577      6.56865203    -12.77757274
  H     14.39358730      9.21093561    -12.66843099
  H     17.70249085      6.37715255    -11.67701131
  O     16.61567099      5.03362934    -10.82833234
  H     13.52880954     10.36714380    -12.13063911
  H     14.55378256      7.17722364     -9.54216629
  O     12.90170772      4.88186105    -15.06839635
  H     17.52144938      9.76633674    -16.99631727
  H     15.95004587      7.81991158     -9.65099267
  O     18.08835298     11.30764370    -11.88492645
  H     16.62062849      8.61693098    -17.50328302
  H     15.28160173     10.43761572    -17.63439982
  O     17.98792081      7.19869148    -12.09425517
  H     19.67891050     10.63233346    -16.14299948
  H     14.30149180     11.23355276    -18.53068091
  O     15.49069931      7.01520219     -9.37534388
  H     19.16135777      9.81070451    -14.94442195
  H     11.88046920     12.22624684    -12.98521720
  O     14.40432922     10.86496646    -17.65796988
  H     16.55493589      6.68297738    -16.32481917
  H     13.04900686     11.74701062    -13.87395078
  O     12.45769181     11.48487316    -13.14563331
  H     15.41266397      6.55918120    -17.35304483
  H     13.53502050      9.43917073    -16.87655454
  O     13.21142276      8.73092541    -16.30600855
  H     19.16460353      8.42978566    -12.92472122
  H     13.30668769      7.89203064    -16.77476222
          69
 Ord_Energy   -247.965897    
 O   -8.97627735       1.07068908       3.24695086    
 H   -8.86684990      0.517773092       4.02950668    
 H   -8.68291473       1.96100414       3.48968983    
 O   -10.1921616       2.11008453      0.893506050    
 H   -9.82349014       1.53168344      0.216092855    
 H   -9.94835091       1.71016586       1.73724985    
 O   -8.22546005     -0.613105297       5.38455534    
 H   -7.64005995      -1.11698139       4.78946590    
 H   -8.69728374      -1.25025761       5.91363478    
 O   -3.62158418       1.71173239       2.77252650    
 H   -4.17283440       1.46748269       2.01432967    
 H   -3.85580802       2.61860776       3.01039743    
 O   -5.83106661       6.04632759       1.85355389    
 H   -6.75596285       6.19350195       2.09335589    
 H   -5.71340370       6.33291578      0.937908053    
 O   -6.50448751      -1.74599695       3.62454510    
 H   -6.78302097      -1.43272591       2.75326562    
 H   -5.64049864      -1.35355604       3.80232739    
 O   -3.77890182       4.37941360     -0.951816440    
 H   -3.97597742       3.51692820      -1.33301353    
 H   -3.19835615       4.22771358     -0.193031386    
 O   -6.62643290       3.42444849       1.25560403    
 H   -6.16110468       4.25900793       1.39568961    
 H   -7.18513775       3.31412959       2.03429055    
 O   -2.30764198       3.89025378       1.37504661    
 H   -2.76298714       4.34457254       2.09578681    
 H   -2.36104512       2.96349478       1.63081181    
 O   -8.00214386       3.60695100       3.70838475    
 H   -7.31033945       3.70947051       4.37437677    
 H   -8.28739452       4.49126530       3.44530463    
 O   -7.52210569     -0.405793697       1.36232269    
 H   -7.99564600     -0.303290099      0.526543021    
 H   -8.00693226      0.125976548       2.01127338    
 O   -7.28641415       2.01618242      -2.33940458    
 H   -6.32822037       1.91511512      -2.31251049    
 H   -7.46207666       2.93205595      -2.08325911    
 O   -6.00903749       1.09836233       5.93457842    
 H   -6.81654406      0.575969219       5.86162710    
 H   -5.31967831      0.580674708       5.50000620    
 O   -4.11272097     -0.379825830       4.42490911    
 H   -3.29710722     -0.784187973       4.70943499    
 H   -3.86989975      0.362232417       3.84444880    
 O   -5.49676514       6.42425680     -0.907731533    
 H   -4.83555746       5.70805788     -0.970881164    
 H   -5.19284344       7.13142443      -1.46937883    
 O   -4.19030094       4.45618820       3.45711756    
 H   -4.70509911       5.10920000       2.96211529    
 H   -4.69942951       4.26651525       4.25476980    
 O   -9.79803276       4.83581448      0.579779625    
 H   -10.0406113       3.90712714      0.712432861    
 H   -9.19475842       4.84202671     -0.173834726    
 O   -8.58206367       6.12371111       2.58731127    
 H   -9.12757874       6.84324408       2.89216948    
 H   -9.06451416       5.69630861       1.85400152    
 O   -7.59707642       4.51648855      -1.13445187    
 H   -6.96802759       5.24327850      -1.21038425    
 H   -7.35130453       4.04185390     -0.324666411    
 O   -4.47263718       1.73983538      -1.83126712    
 H   -4.71653175       1.42473638     -0.943571925    
 H   -3.86773753       1.09854484      -2.19597912    
 O   -5.91722965       3.76156259       5.59327745    
 H   -5.92334843       2.79965544       5.75161123    
 H   -5.92797518       4.18004608       6.45012856    
 O   -8.89419270      0.309403747     -0.974450707    
 H   -8.31919765      0.903149009      -1.48858392    
 H   -9.43177414     -0.162409961      -1.60533118    
 O   -5.32886028       1.12519729      0.683644116    
 H   -5.99907494      0.462814122      0.894827068    
 H   -5.75964165       1.98413908      0.828427494    
          69
 Energy    -247.96583456385861     
  O     17.48872625      8.59222861    -14.28906515
  H     16.65015916      9.07385347    -14.21349788
  H     17.65452728     12.28605512    -15.48416509
  O     16.90095193     11.26028558    -11.06652850
  H     18.14581096      9.15294337    -13.85975384
  H     12.83065813     12.00176243    -14.34628721
  O     14.63531013     12.64922471    -14.50591331
  H     16.04261942     10.81639977    -11.14553953
  H     12.07340682     10.78084011    -14.92543371
  O     12.45931969      6.84941698    -14.97731752
  H     17.31957318     10.90286343    -10.27342425
  H     14.95386953     10.87161344    -14.17095768
  O     16.84920535      7.44989443     -9.16686307
  H     15.21798489     13.04465452    -13.84439665
  H     14.83931504      9.76335463    -13.11371843
  O     16.69545212      6.38343502    -12.78950959
  H     15.11953400     12.64006355    -15.34200183
  H     12.01503513      8.35457249    -12.10422762
  O     14.53209235      9.90395503    -11.30218328
  H     11.92072906      6.13493219    -15.30972629
  H     12.29799972      7.25061145    -13.14683062
  O     15.09547663      9.57072643    -16.77294709
  H     13.38131788      6.54077652    -15.01606467
  H     19.68744903      9.29023476    -11.67817548
  O     18.76349912      6.17252530    -10.89382877
  H     17.48441806      6.89540925     -9.63621070
  H     19.34646318      9.13135991    -10.18760845
  O     16.20423451     12.10447325    -16.79335198
  H     16.00984902      7.33272239     -9.63196894
  H     15.64530667      6.37315744    -15.72680678
  O     16.93932557      7.43633422    -16.70595536
  H     17.40368503      6.15822340    -12.17358944
  H     15.56331891      5.96486678    -14.24505369
  O     18.24561803     12.43378603    -14.73734406
  H     17.01065546      7.15319744    -13.28492151
  H     16.69212132     12.75427591    -12.01864212
  O     12.05372692     11.44534390    -14.22018206
  H     13.58920292     10.10474395    -11.36369237
  H     16.68858686     14.29526379    -12.13275727
  O     15.12047487      9.93158000    -14.02047986
  H     14.61597274      8.96198395    -11.09432613
  H     18.22795987     10.71237400    -12.27594251
  O     12.29701810      7.43706773    -12.19981780
  H     14.95116611      9.58060669    -15.81289021
  H     18.86883839     11.14944465    -13.61039264
  O     19.78619128      8.69188879    -10.92612597
  H     15.67283415      8.81783302    -16.94739599
  H     17.56853766      9.01738474     -8.96430662
  O     15.04722390      6.01759720    -15.05996033
  H     19.44548198      5.54083458    -10.68221728
  H     18.24201862     10.04460385     -8.02349624
  O     16.56661555     13.49423730    -12.63630315
  H     19.19599272      7.04322585    -10.95622638
  H     13.83067765      7.12998945    -11.34186462
  O     18.92607799     10.48659394    -12.90700497
  H     16.21512976     12.49007282    -17.66612515
  H     15.34142573      6.85246450    -11.62976473
  O     18.06165993      9.85813302     -8.94080508
  H     15.84327343     11.20783315    -16.88970880
  H     11.05412031     10.60252084    -11.36897477
  O     14.72177793      7.17956125    -10.96326761
  H     17.27494148      7.83436491    -15.88328033
  H     11.85731029     10.69652563    -12.68807650
  O     11.81636123     10.25254204    -11.82147489
  H     17.69575843      7.10100051    -17.17983071
  H     13.13832209      9.49697751    -16.63041044
  O     12.30767656      9.44636841    -16.14471694
  H     17.72813434     12.92395520    -14.08594130
  H     12.29969519      8.56679229    -15.74451345
          69
 Energy    -247.96571956281912     
  O      1.80889646      0.02337016      3.04547682
  H      1.61469137      0.08689152      2.09366136
  H     -3.36855617      3.26889754      1.38901801
  O     -4.23814411     -0.37849561     -2.12264217
  H      2.75867429     -0.02583831      3.12388876
  H     -1.60823663      0.35177746      6.08708515
  O      0.40636874     -1.92839653      4.65365398
  H     -3.83508590     -1.24851279     -2.23267817
  H     -2.38920398     -0.86619019      5.58330707
  O     -2.84864927     -2.88966528     -1.93163750
  H     -3.49774067      0.24023314     -2.11715117
  H     -1.48202344      4.14265840      1.73753396
  O     -0.53050927     -1.39243757     -1.14498338
  H     -0.23305352     -1.45008845      5.20310285
  H     -0.30853228      3.33458176      2.32927686
  O     -3.93686701      2.54118902      4.18731722
  H      0.88040793     -1.27624950      4.12772293
  H     -2.64797116      1.17481227      1.39901454
  O     -3.50168174     -3.66522150      3.19945951
  H     -3.03908224     -3.73906289     -2.32174409
  H     -2.68738653      1.52566514     -0.11662545
  O     -0.01953862      2.06152217      3.59133985
  H     -3.18214465     -2.92255445     -1.01824735
  H     -1.13842561      0.76789243      2.89401470
  O     -1.76290878      1.09016808     -1.58794112
  H     -1.16396487     -1.93424229     -1.63013742
  H     -1.35306266     -0.61166202      2.16815347
  O     -5.77970185      0.49324826      3.12671867
  H     -0.59917353     -1.70472143     -0.22818594
  H      0.99076300      1.19683888      0.04630823
  O     -3.66027337     -1.05450775      4.19678884
  H     -4.56590015      1.89191481      3.85556564
  H      0.82499183     -0.30464699     -0.22046031
  O     -3.40943163      4.11055826      1.87912501
  H     -3.79330570      3.17011540      3.46850744
  H     -2.55388093      2.31965996      5.24817109
  O     -1.58149667     -0.61124603      6.04873909
  H     -2.59204579     -3.93574684      3.37291258
  H     -1.82680608      2.83888026      6.51003891
  O     -0.55401189      3.92289505      1.60053553
  H     -3.61373157     -2.81964688      3.65760445
  H     -0.01515443      3.24576508      0.10366939
  O     -3.13083929      1.68205665      0.72771639
  H     -0.45420403      2.10331570      4.45337963
  H      0.86326691      3.42628743     -1.15619478
  O     -1.79853636      0.16475095      2.53231588
  H      0.70813101      1.42726754      3.61679900
  H     -0.15254999     -4.85630830      3.65463952
  O      1.23373924      0.32549663      0.38308377
  H     -1.07568573      1.75334523     -1.44141146
  H     -0.25387803     -3.34424434      3.96861665
  O     -1.74726999      2.22390033      5.78555853
  H     -1.33380365      0.23203959     -1.45676176
  H     -0.80212119     -2.91150334      2.03533687
  O      0.29692406      2.80461342     -0.70669564
  H     -6.71904068      0.49558549      3.29704206
  H     -1.97750949     -2.39374493      1.16640440
  O     -0.65748576     -4.07227734      3.45965234
  H     -5.66952343      0.20876874      2.20518293
  H     -3.78204956     -3.12953503      1.53276599
  O     -1.04574399     -2.24205550      1.38508357
  H     -4.48922110     -0.61105513      3.98779893
  H     -4.22907396     -1.86259725      0.72233241
  O     -3.71626917     -2.67911599      0.67615190
  H     -2.98764829     -0.61829103      3.65041389
  H     -4.46053053      0.51035326      0.66391986
  O     -5.10601030     -0.19801375      0.51409097
  H     -3.99263245      4.68647405      1.39134190
  H     -5.07493241     -0.32644001     -0.44442398
          69
 Energy    -247.96562398864558     
  O     16.65226286     11.54770822    -11.41088860
  H     17.39703049     10.95913185    -11.58566789
  H     13.17248450     11.61668754     -9.85319975
  O     16.50563381      8.46715405     -8.16291917
  H     16.46910692     11.47116644    -10.46700348
  H     14.85121286     10.45876307    -14.35823906
  O     15.89034819      5.68133135    -11.74276020
  H     16.52816887      9.42935407     -8.24254726
  H     15.46895925      9.08022541    -14.06587714
  O     18.23561249      5.15343701    -10.43424242
  H     15.56276317      8.25721989     -8.22022241
  H     18.64277016      6.94816086    -10.02934601
  O     16.54100610      5.47147261     -8.13070075
  H     15.32763130      5.52037825    -12.51464057
  H     17.93486255      8.07568391     -9.23654869
  O     18.65315624      9.60878008    -11.88515016
  H     15.30561865      5.67745694    -10.97208367
  H     13.90132854      6.43589809     -9.14499819
  O     16.11032895     11.26234822     -8.62200537
  H     18.68739000      4.38077343    -10.76287040
  H     14.89591261      5.29406875     -8.98700273
  O     10.56564089      8.61253822    -10.19690987
  H     17.44375852      5.27237562    -10.98662612
  H     11.96841916     11.07602226    -12.04703761
  O     13.95795924      8.83811840    -11.23801868
  H     17.22140941      5.26209509     -8.78231017
  H     13.39124617     11.68842490    -12.32518141
  O     12.33780538      6.62294599    -11.46136693
  H     16.64585938      6.41068190     -7.94136007
  H     11.78640202      7.80699043    -14.40340270
  O     13.24962947      7.61439315    -15.52284651
  H     18.73869841      9.01983114    -11.11239271
  H     11.37372060      7.30444047    -13.00373797
  O     13.43027018     11.57427735     -8.92208567
  H     19.51572795      9.67030554    -12.28510595
  H     10.64083337      9.42118354    -13.07699264
  O     14.91640808      9.56091012    -14.69990903
  H     15.14342844     11.36382739     -8.68410415
  H      9.59190911     10.55172962    -12.94073149
  O     18.66646223      7.89412625     -9.84318223
  H     16.41707536     11.95462827     -8.04111241
  H     10.89739966      9.65474999     -7.20721223
  O     14.13981222      5.57514285     -9.52204787
  H     11.02715513      7.83631021    -10.53237103
  H     11.13044602      9.31293450     -8.69865132
  O     12.80226972     11.34486843    -11.64060583
  H     10.42695246      9.19189504    -10.95582759
  H     13.28525493      5.77182397    -12.98021337
  O     11.10795136      7.89207107    -13.72059523
  H     14.79786631      8.76814942    -11.70826998
  H     13.78579016      6.18613386    -14.36928537
  O     10.41379874     10.22893450    -12.58117817
  H     13.58640125      9.71369801    -11.39972275
  H     15.09095913     12.93814582    -13.75134217
  O     11.55331696      9.67314022     -7.89851886
  H     12.89858649      7.41785992    -11.48276067
  H     15.52524818     11.92544737    -12.66549577
  O     13.94289151      5.55920281    -13.65281960
  H     12.74420078      6.03840482    -10.80963404
  H     13.05781499      8.60145011     -8.18402394
  O     14.86244749     12.09942037    -13.35973656
  H     13.83307968      8.35303791    -15.27165463
  H     13.88578035      8.48098328     -9.48990275
  O     13.79332701      8.13066536     -8.58919527
  H     13.28135060      7.54857022    -16.47331714
  H     16.27483041      7.38377421    -12.34388026
  O     16.28987392      8.29620477    -12.66032241
  H     12.76719234     11.02441914     -8.48898022
  H     17.13733524      8.68866015    -12.42019331
          69
 Energy    -247.96558825885572     
  O     15.70466397     12.63571800     -9.18343540
  H     16.65182451     12.80262904     -9.08704598
  H     12.56330798     13.95068253    -12.82049904
  O     13.82724541     13.18073692    -15.97075304
  H     15.55376535     11.71527877     -8.93246588
  H     20.58569621     14.25168682    -13.57651038
  O     17.53732504      9.12972202    -12.40155454
  H     14.67004285     13.27146887    -16.43266243
  H     19.27850713     14.38698511    -12.75443132
  O     14.07674095     10.45315594    -15.25676465
  H     13.72974209     12.23891197    -15.78344042
  H     15.12043631      9.30402530     -8.09555680
  O     16.86207808      8.16200950    -14.90057877
  H     17.84255198      9.99537459    -12.71034622
  H     15.25020497      9.49245789     -9.62602498
  O     15.88308519     12.41612815    -11.97811118
  H     17.36938115      8.61898507    -13.20683426
  H     16.74658673     13.74223050    -17.86685012
  O     14.97843464      8.99331601    -11.30116005
  H     15.02575029     10.59752064    -15.38938220
  H     16.78964999     13.92635650    -16.32944970
  O     16.79512813     10.89710877    -15.71067310
  H     13.93749189      9.50053389    -15.32083745
  H     13.90784030      7.30533689    -14.30236897
  O     17.35260611     14.83837131    -14.97405095
  H     16.93872412      9.01870450    -15.34189091
  H     13.61233597      6.99136771    -15.78682911
  O     13.62057610     10.97036557    -12.58372607
  H     15.95489585      7.87536109    -15.05395863
  H     18.10231262      9.72284920    -10.67936126
  O     13.34191941     15.11879256    -14.15168902
  H     15.09755746     11.93102722    -12.26445201
  H     17.36922973      9.98330654     -9.35250268
  O     12.40360336     13.34376273    -12.08887551
  H     15.84471864     12.46029575    -11.01466945
  H     18.30008639     14.24877843    -10.72043652
  O     19.66778067     13.99667055    -13.55849543
  H     15.86116831      9.04708093    -11.69698733
  H     17.42123759     15.12556829    -11.66503547
  O     15.52827307      9.84778451     -8.76428606
  H     14.42294269      9.67270806    -11.71517607
  H     17.34866449     11.98813132    -12.85979450
  O     16.45360183     13.35709686    -17.04566176
  H     17.29079017     11.17916114    -14.92855391
  H     18.74078574     12.37139107    -13.44718445
  O     14.02383627      7.63099938    -15.21119906
  H     16.74414680     11.66597852    -16.29125512
  H     14.51184787     14.01356935     -9.68660001
  O     18.17683661     10.19088016     -9.83822390
  H     16.78274217     15.02520808    -14.21955131
  H     14.56436559     15.03797507    -10.83163714
  O     18.32915702     14.92530897    -11.40909125
  H     18.21171924     14.60134069    -14.60355313
  H     14.23906969      7.52562878    -12.06834131
  O     18.10231878     11.65435107    -13.37232478
  H     13.66883543     10.81702823    -13.53691926
  H     13.97882229      6.01048987    -12.09768804
  O     13.97780420     14.65885978    -10.16938924
  H     13.06296609     11.74475836    -12.41202700
  H     19.16832580     12.98536299     -8.76556008
  O     13.87132245      6.80887637    -12.60858528
  H     13.48919468     14.43362292    -14.82841357
  H     18.46991216     11.91593647     -9.63567937
  O     18.48426701     12.86541078     -9.42002611
  H     12.79912594     15.79146901    -14.55422921
  H     15.71762869     14.12410904    -12.44168778
  O     15.68202185     15.07956178    -12.61165533
  H     12.81190330     13.76410999    -11.31859145
  H     14.87258550     15.22935880    -13.11977579
          69
 Energy    -247.96548657613923     
  O     11.04519209      9.05089915    -12.69693225
  H     10.15850477      8.79553454    -12.45752465
  H     14.11148647     13.12828561    -13.95539485
  O     16.73624545      8.19605801    -14.70902858
  H     11.63774080      8.35576586    -12.35737995
  H     14.09987887      9.72998037    -14.06749201
  O     16.88237227     11.30294584     -9.63938591
  H     16.50739982      8.04800442    -15.63386850
  H     14.81986441     10.00799125    -12.70384411
  O     15.89809749     12.53116705    -14.00716474
  H     16.08144954      8.81356723    -14.34216560
  H     13.00428084      6.43784670    -12.54201682
  O     13.56180647      6.91054287    -15.96381530
  H     17.27922957     11.57065591    -10.48873817
  H     13.53290740      7.21585723    -11.32517318
  O     16.25925450      6.09523838    -13.00316898
  H     16.97913005     12.03862702     -9.04157343
  H     19.46441407      7.38657345    -11.82825978
  O     14.62745532     10.17000946    -10.91123208
  H     16.56811663     12.45725390    -14.69662089
  H     20.66725496      8.25922223    -11.40513616
  O     17.86708186     11.64796067    -15.82992686
  H     15.52888898     11.63813346    -13.91022894
  H     13.65500530      5.81853234    -14.64941101
  O     18.74284392      5.77604235    -11.85290963
  H     14.30115266      7.17526379    -16.52237520
  H     13.33145076      4.41849401    -14.07167480
  O     15.49317434     10.64213521    -17.18884504
  H     13.14340857      7.73429351    -15.67377302
  H     18.19029963     11.19134241    -12.61477605
  O     15.81030735      7.97110470    -17.34966972
  H     15.43638637      5.68142795    -13.29049367
  H     17.13508779     12.30165076    -12.62639594
  O     13.15041694     13.08851537    -14.04542392
  H     16.45454790      6.80267910    -13.63603016
  H     19.23010774      9.37570426    -13.17307525
  O     14.94924669      9.94083221    -13.65943145
  H     15.32492821     10.63219455    -10.43088509
  H     18.08201369      9.22591927    -14.18390665
  O     12.75652379      7.10104490    -11.88616241
  H     14.79002837      9.22421422    -10.78761552
  H     18.38380912      8.55630493    -10.36756481
  O     19.77588673      8.30457958    -11.74330859
  H     18.59344900     12.08693244    -16.26671083
  H     17.46536263      9.51238135     -9.58190902
  O     13.72458106      5.25895151    -13.85381507
  H     18.26236047     11.04712366    -15.17799910
  H     12.41567125     12.22469973    -16.98071573
  O     17.82581835     11.90559956    -12.07881298
  H     18.64494040      5.20572684    -11.09323390
  H     12.98747011     12.27776516    -15.54360141
  O     18.74729609      9.85266779    -13.85959614
  H     17.87195530      5.79403359    -12.28123699
  H     15.64346186      7.01035588    -11.50442674
  O     17.66573225      8.57815461     -9.72580877
  H     16.24339297     11.04652401    -16.73826070
  H     16.13541076      7.78290661    -10.26476903
  O     12.94768048     11.73980029    -16.35576317
  H     14.69152970     11.08168995    -16.88125796
  H     11.78764950     10.72830820    -12.13201301
  O     15.33424678      7.49032822    -10.72515338
  H     15.65408810      8.93325114    -17.36272478
  H     13.09483784     11.11281271    -11.43598848
  O     12.34438522     11.48552961    -11.91732921
  H     16.19264938      7.74186446    -18.19199122
  H     11.92262030      9.32148037    -14.30296675
  O     12.57643307      9.31452373    -15.01417513
  H     12.82106830     12.60345818    -13.27390217
  H     12.53667377     10.14833953    -15.49979318
          69
 Energy    -247.96542024310941     
  O      1.67267240      4.51622794     -0.46404606
  H      1.94930022      3.71525186      0.01482929
  H     -1.13587157      2.81609166      0.48073982
  O      0.02795120     -1.65387513     -1.06252285
  H      2.46858430      5.00549930     -0.65881086
  H      2.06863453      2.29064028      1.93940197
  O     -2.13926915      0.37114423      2.19841296
  H     -0.79799463     -1.70152484     -0.55822232
  H      2.21612326      1.32697946      0.73228381
  O      2.59662114     -3.16529119      1.35395786
  H      0.38166197     -2.55060477     -1.09243583
  H     -0.35546392      4.46982944      3.18326555
  O     -4.08003658      2.00502158      0.65078026
  H     -2.37698939      0.94254519      2.94417041
  H     -0.23740402      4.69282350      4.70830633
  O     -2.69006847      4.20966171     -2.53753876
  H     -1.60056013      0.91294084      1.59711223
  H     -0.07180824      2.63390671     -2.50763537
  O     -2.64748779      2.28783319      4.06882635
  H      2.07919783     -3.25111903      2.16421306
  H      0.54556308      3.92120315     -1.89894844
  O     -0.97589771     -4.05390726      1.42539242
  H      2.58362281     -2.22339732      1.13786345
  H     -5.19925317     -1.14392068     -1.50375829
  O      1.57601618      2.05867057      3.62263660
  H     -3.65030814      1.34900920      1.20784563
  H     -4.01281965     -0.19729664     -1.74077482
  O     -2.31813026     -1.79677153      0.44277834
  H     -3.89194971      1.73652859     -0.25911630
  H      1.37663587     -0.46700774      1.56228355
  O     -3.29161352      1.45483305     -2.06384206
  H     -1.73250435      4.05084838     -2.63123001
  H      1.26066023     -0.83647059      0.05970874
  O     -0.66002436      1.98128714      0.57697304
  H     -2.92765850      4.86321034     -3.18923395
  H      0.43514279      5.08078335      0.92286943
  O      2.12226305      2.25906035      0.97103746
  H     -1.90412972      2.90913858      4.09249029
  H     -1.08748198      5.00378730      1.16024887
  O     -0.45581957      4.03751622      4.04994313
  H     -3.43793257      2.81922376      4.14015190
  H     -3.10585187      3.53331167      0.53607786
  O     -0.06043809      3.59840337     -2.57634723
  H     -1.56334794     -3.35304633      1.11051125
  H     -2.55291291      4.32726227     -0.67137272
  O     -4.25647283     -1.06316360     -1.37949292
  H     -0.39085711     -4.26349389      0.68715809
  H      1.68421939     -3.93293949      0.05605122
  O      1.86722002     -0.48839178      0.72712545
  H      0.87485343      2.67491205      3.86457148
  H      1.47199045     -4.95012919     -1.09166097
  O     -0.24255159      5.17926996      1.60056649
  H      1.18802305      1.17339132      3.62913952
  H     -0.51558652     -0.30335435      2.91839819
  O     -2.43737271      4.18413908      0.27611589
  H     -3.03975762     -1.62622846     -0.17921739
  H      0.46799568     -1.42509431      3.36435506
  O      1.04801860     -4.24335574     -0.61311934
  H     -2.34384948     -1.10348182      1.11461036
  H     -0.58571152      1.25422930     -1.04792666
  O      0.40601637     -0.48832243      3.13545450
  H     -2.36601867      1.17112894     -2.10804964
  H     -0.30029487     -0.02582108     -1.86424044
  O     -0.57123878      0.89642467     -1.94992127
  H     -3.28547103      2.38142341     -2.32971790
  H      0.55607968     -3.84883782      4.20438249
  O      0.62419689     -3.25741075      3.45985283
  H      0.26030395      2.16634050      0.79892851
  H      0.00163632     -3.58049748      2.78327984
          69
 Energy    -247.96532730063575     
  O     14.12412156     12.51263168     -8.51815264
  H     14.10796889     11.56434836     -8.73910653
  H     12.56224145     14.39402773    -14.06918305
  O     14.29239307     12.69579578    -16.38823062
  H     13.83028495     12.58713646     -7.61363179
  H     12.30964945     14.04679805    -11.73096587
  O     16.91779523      9.20207647    -12.27975924
  H     13.81611070     13.38302281    -15.89880010
  H     10.84263692     13.97816024    -12.21686198
  O     15.65617518     16.24009362    -10.83908683
  H     13.82351581     11.87067346    -16.23483382
  H     18.88367012     14.17214406    -13.67357059
  O     13.60917538     10.03204925    -15.37304874
  H     17.34074036      9.96291407    -12.70256766
  H     20.30192446     14.04161134    -13.06720402
  O     16.27493291      7.57928178    -14.39105555
  H     16.79869730      8.53220442    -12.96879752
  H     15.34712906      9.72907184     -9.13890495
  O     16.04421524      9.42032331    -16.56525184
  H     16.50593722     15.77356276    -10.74333398
  H     14.11239600      9.56795421    -10.02641330
  O     15.71583165     12.61369126    -12.35826065
  H     15.78441651     17.11782554    -10.48958246
  H     16.00457298     12.41233346    -16.12176878
  O     14.10452027      9.16413511    -11.86813170
  H     13.50030220     10.61223708    -14.60463979
  H     16.85816753     11.15608631    -16.29792625
  O     17.82365130     14.59042162    -14.97362822
  H     13.40552742      9.14463085    -15.05407429
  H     17.93156489      9.20397023     -9.23224430
  O     13.31378262     11.50706265    -13.02639172
  H     15.33393411      7.38088856    -14.31295474
  H     17.17055173      9.46023068    -10.55300368
  O     13.12835809     14.64641189    -14.80669319
  H     16.35338550      8.13949615    -15.17403750
  H     17.61668877     13.97716175    -10.20528298
  O     11.73287409     13.72919713    -12.44906903
  H     15.86090346      9.17215212    -17.46897768
  H     18.45968527     14.49765271    -11.38926040
  O     19.38763432     13.81464557    -12.91887362
  H     15.19457989      9.69061754    -16.17634523
  H     17.64793449     11.65188485    -14.40453200
  O     14.39510173      9.88669823     -9.15954244
  H     16.46522772     12.21282084    -12.81717175
  H     18.56291630     12.16007911    -13.24891704
  O     16.90293704     12.06702586    -15.98653190
  H     15.95371126     12.63414869    -11.42364422
  H     14.15062090     15.10050295    -10.53675704
  O     17.22448605      9.71611450     -9.61599837
  H     15.06126717      9.21348364    -12.00430519
  H     13.62696427     13.84937447     -9.77981951
  O     17.93736380     14.78465775    -10.63116277
  H     13.72995990      9.99088617    -12.21011529
  H     12.77186248      6.86586650    -13.78002736
  O     17.95229330     11.45719482    -13.50493614
  H     17.01404630     14.92494544    -14.56257120
  H     13.58177321      8.02403575    -13.15355435
  O     13.39944489     14.50083930    -10.45355987
  H     17.56704153     13.81952801    -15.49443479
  H     16.95098973     11.57017514     -9.63132790
  O     13.41889878      7.53732449    -13.97979781
  H     14.16474586     11.92742372    -12.82659265
  H     15.85260739     12.57372526     -9.18482602
  O     16.66624453     12.49003530     -9.69892666
  H     12.63805472     12.17539133    -12.86558880
  H     15.56296229     14.27367055    -13.10738866
  O     15.53404190     15.17795012    -13.45491556
  H     13.94177989     14.97881326    -14.40231434
  H     15.54651348     15.74496253    -12.67585045
          69
 Ord_Energy   -247.965256    
 O    7.35541964      -1.77499628       5.31682873    
 H    8.28696156      -1.91919506       5.10656834    
 H    7.31240702     -0.956366539       5.83425188    
 O    1.69820774      -1.84576368       3.63706040    
 H    2.39998913      -1.61256444       3.01688242    
 H    1.24002683      -1.01195574       3.80738926    
 O    3.70751643      0.284423977       5.08397913    
 H    4.35679054      0.889997184       5.45416975    
 H    3.55654621     -0.454688519       5.68620396    
 O    2.79602432      -2.12233448       6.18649864    
 H    2.42286515      -2.20316577       5.29565525    
 H    3.61028957      -2.63546228       6.23823595    
 O    1.23582196     -0.858029366       8.10141850    
 H    1.72331798      -1.40249467       7.46660709    
 H    1.90547276     -0.398561478       8.62288761    
 O    5.61569118       2.29134822       5.57640934    
 H    4.95973158       2.99593854       5.64915609    
 H    5.90748549       2.25377727       4.65463829    
 O    1.06395996      0.866059482       4.40568781    
 H    1.97631562      0.724925518       4.70437527    
 H   0.529691815      0.963549674       5.20357609    
 O    9.76750851      0.918945253       5.61346292    
 H    10.0144701       3.02994698E-02   5.33050203    
 H    9.63939857       1.42693675       4.80277491    
 O    9.37625980     -0.512793005       2.22330403    
 H    9.44798756      0.435821384       2.38524938    
 H    8.42698479     -0.703176439       2.21130705    
 O    6.65132093     -0.860477626       2.76265669    
 H    5.70849133     -0.924974322       2.55790925    
 H    6.78994322      -1.23866582       3.64128160    
 O    9.19920349       2.22148967       3.10039139    
 H    9.51778984       3.05699801       2.76772332    
 H    8.23142242       2.23985600       3.02041268    
 O    3.94120240     -0.510701954       2.44490886    
 H    3.89752626      0.313020706       1.94583881    
 H    3.86917949     -0.251999736       3.37885070    
 O    10.0553102      -1.75685322       4.53705406    
 H    9.89783192      -1.37450910       3.65482974    
 H    10.8152876      -2.32682538       4.46021032    
 O    3.31439710      0.687563479       9.28664875    
 H    4.06145334      0.172284514       8.93447971    
 H    3.48828173      0.815722227       10.2156372    
 O  -0.176878557       1.10532236       6.91786146    
 H   -1.08040977       1.12659979       7.21964598    
 H   0.249065205      0.343700737       7.35327291    
 O    7.33093309      0.553578734       6.82229376    
 H    8.23379612      0.759957969       6.54060221    
 H    6.75446558       1.24463201       6.46517229    
 O    6.46225929       1.91260886       2.93203163    
 H    5.70615721       2.12715554       2.37093043    
 H    6.55307531      0.947925508       2.90391207    
 O    2.35934782       3.08794808       3.29792905    
 H    2.71440363       3.49142122       4.09882212    
 H    1.76087236       2.38738251       3.59218669    
 O    3.48106551       4.08947802       5.74002314    
 H    2.98358607       3.58331275       6.40923119    
 H    3.44110966       5.00488520       6.00348186    
 O    2.15834451       2.61969781       7.55291843    
 H    1.30949688       2.21319342       7.34121799    
 H    2.60320973       2.01193929       8.15690231    
 O    5.37740421      -3.16330099       6.61589718    
 H    6.09414816      -2.76221871       6.09723282    
 H    5.68506956      -4.02436972       6.88851547    
 O    4.09754372       2.18614483       1.45360363    
 H    3.45414400       2.54839921       2.09011531    
 H    3.86078858       2.53094554      0.597124159    
 O    5.35943222     -0.759009540       8.27872181    
 H    6.11832380     -0.294998556       7.89845324    
 H    5.32097483      -1.61934805       7.84939957    
          69
 Energy    -247.96508005423237     
  O      0.05961670     -2.45991188      5.52189746
  H     -0.01722093     -1.51288587      5.73633154
  H     -5.39051185     -0.21473528      2.16712935
  O      1.95302547     -1.04578173     -1.91327494
  H      0.45533075     -2.88231531      6.27987023
  H     -1.14197463      2.95682014      1.55263240
  O     -2.68622630     -2.77756663      4.75795245
  H      1.53236964     -1.90743768     -2.03022481
  H     -0.26389900      4.22539572      1.63133330
  O     -0.02728339      0.30776157     -0.36634382
  H      1.26476756     -0.45464717     -1.58194716
  H     -3.43235491      0.30990628      5.51653613
  O      0.73029215     -3.63835525     -1.72946523
  H     -1.77677541     -2.75411933      5.08121886
  H     -3.48811437     -1.16605460      4.96437049
  O      2.09099640     -3.75454895      0.62330010
  H     -2.62280839     -2.95631336      3.81274187
  H      1.05896966      0.80335341      2.97840392
  O     -2.73247382      3.27765781      4.07581027
  H      0.50398972      0.13754329      0.42582607
  H      0.30074060      2.15662530      3.14294120
  O     -4.89868363     -1.61328964      1.13331703
  H     -0.73116110      0.91759442     -0.12213356
  H     -2.56933122      0.01956453      3.50285730
  O     -0.18098318      0.19150459      5.99759738
  H      0.81841969     -4.44406654     -2.23119258
  H     -1.08212120      0.40569858      3.22093975
  O      3.66989073     -1.38516679      0.16586637
  H      1.20488091     -3.77322528     -0.88955114
  H     -0.78082208     -2.72397004     -1.15079913
  O     -4.53300882      2.87760072      1.86386306
  H      1.59187174     -3.56109331      1.42744311
  H     -0.89432092     -1.27973795     -0.61228349
  O     -5.45689132      0.55097177      2.75605675
  H      2.75609246     -3.05942881      0.54716967
  H     -0.38231635     -2.81094531      2.45031761
  O     -0.57990927      3.48344775      2.14171111
  H     -1.94258138      3.48455035      3.56499250
  H      0.47383141     -2.71990012      3.73672136
  O     -3.79999120     -0.25851873      4.83039085
  H     -3.43589280      3.17978169      3.42201842
  H     -2.61048819      2.33176028      5.56400747
  O      0.53712435      1.33824612      3.59461354
  H     -4.15633409     -2.13493751      1.44878439
  H     -2.84887653      2.26027878      7.08977456
  O     -1.88170246      0.04288611      2.82281215
  H     -4.58792807     -1.19719868      0.31582099
  H      1.23954582     -1.22460595      2.14481395
  O     -1.38764608     -2.10493120     -0.72800345
  H     -0.96169169      0.70162577      6.24204276
  H      2.42271039     -0.64873607      1.31805454
  O      0.52732136     -2.76389205      2.77331605
  H      0.21255010      0.66387165      5.25009471
  H     -1.95034292     -2.52553540      0.95330355
  O     -2.54149164      1.75237559      6.34338381
  H      3.14991220     -1.23445777     -0.64440205
  H     -2.07028342     -1.62607717      2.21192038
  O      1.61364038     -0.40657616      1.78509936
  H      4.58390470     -1.23337065     -0.05703706
  H     -3.20088994      0.41458245     -0.57498343
  O     -2.13957814     -2.54425011      1.90251745
  H     -4.92541877      2.03770783      2.17254987
  H     -2.90327601     -1.00583952     -1.08849442
  O     -3.60564518     -0.34689668     -1.00111563
  H     -5.25634092      3.43383159      1.58964758
  H     -2.17651864      1.06878863      1.42975011
  O     -2.27633275      1.73413072      0.72717824
  H     -5.03628930      0.27919998      3.58229149
  H     -3.09224517      2.20878569      0.94057893
          69
 Energy    -247.96507235553736     
  O     15.16846933      9.63832868    -10.99907726
  H     15.78443012      9.26725812    -10.35157934
  H     11.60150007      6.07811266    -10.55192520
  O     19.70768314      5.76622495     -9.53591033
  H     14.46453315     10.05563083    -10.48268617
  H     14.53623640      6.63860428     -5.62842870
  O     17.03221507      4.97223130    -12.29772606
  H     19.29611730      6.32902032    -10.21178784
  H     15.93446674      6.01012462     -5.40427153
  O     14.38539951      5.21297197    -11.61135293
  H     20.61626682      5.64492773     -9.80224821
  H     14.14849747      8.42148898    -11.88627573
  O     17.67128544      3.72749020     -9.84130126
  H     17.45340238      5.77708568    -11.96520709
  H     12.81536437      7.60708683    -11.85497238
  O     16.99667136      8.99923083    -13.08735121
  H     16.97029871      5.06379833    -13.25874894
  H     17.98455404      7.88532047    -12.03041648
  O     17.31391893      8.57192136     -6.46938684
  H     14.13542276      6.07586355    -11.97058419
  H     17.81847200      7.68166017    -10.51300312
  O     15.74129542      3.87611923     -7.89304688
  H     15.29268333      5.03127509    -11.89096938
  H     17.08604971      5.57297392    -15.79478097
  O     16.82383321      8.32450781     -9.19325433
  H     17.42491793      3.95896899    -10.74627570
  H     16.00987333      6.29373489    -14.96741152
  O     15.06647179      6.27266976     -9.12542492
  H     18.42133921      4.29764206     -9.63696926
  H     12.08656605      5.97160984     -5.31229724
  O     12.93687689      7.82119860     -8.24842965
  H     16.40164804      9.40323859    -12.44036531
  H     12.77355826      5.37131887     -6.56135309
  O     11.61718644      7.03928995    -10.63162636
  H     16.42233504      8.63175046    -13.76703610
  H     11.76355772      3.47625644    -10.87306482
  O     15.46594018      6.85025396     -5.48825774
  H     17.43439003      9.30024198     -5.86647246
  H     12.96316557      4.44836296    -10.86361714
  O     13.61672640      7.77490712    -12.37249291
  H     16.59607133      8.02156464     -6.10622416
  H     12.24130659     10.73893822     -9.37288757
  O     18.25138046      7.31202289    -11.29811778
  H     16.40420615      3.71139510     -8.58118762
  H     13.03891604      9.53623944     -8.84638428
  O     16.61612869      5.53796715    -14.96491846
  H     16.21509901      3.99917638     -7.06140951
  H     17.58234754      4.03650569     -4.88807315
  O     12.72744784      6.16114752     -5.99193013
  H     17.03711053      8.55981090     -8.28361266
  H     17.82976836      5.08164332     -6.00438900
  O     12.14545345      4.20848899    -10.39483944
  H     16.22093626      7.56475330     -9.14567615
  H     12.62015832      4.06727054     -8.54529754
  O     13.12539574     10.38564045     -9.30814417
  H     15.30881016      5.50831372     -8.58698501
  H     13.90188702      3.81439469     -7.72172787
  O     17.14437916      4.54589248     -5.56402005
  H     14.83343127      5.92888480     -9.99665166
  H     18.47981274      7.06834755     -6.75755360
  O     12.96124955      4.02857861     -7.64412903
  H     12.70327465      7.40802584     -7.40968801
  H     19.17279258      6.09584806     -7.74880446
  O     18.86847414      6.18866921     -6.83823108
  H     13.70355606      7.32160738     -8.56737791
  H     14.38766976      7.76701529    -13.96671071
  O     14.93697633      7.78463132    -14.76892875
  H     11.93551418      7.35961794     -9.77710878
  H     14.46048769      8.30711505    -15.40953642
          69
 Energy    -247.96499301104910     
  O     12.43066489      4.42681121    -12.27166486
  H     13.20446794      4.21362683    -12.80756412
  H     14.45986293      9.60183254    -12.24706674
  O     16.21871876     10.53126572    -14.66579018
  H     12.75876237      4.53130274    -11.37065212
  H     17.48256720      7.72418997    -11.51045493
  O     18.25225741      7.91714893    -13.12507917
  H     16.25665268      9.62816647    -15.01388890
  H     17.01996378      8.23656393    -10.09920110
  O     16.92280541      9.78097777     -9.09017509
  H     15.48164068     10.56532746    -14.04716779
  H     15.35494727      7.72411023    -11.52661007
  O     11.69011061     10.25994284    -13.28835877
  H     17.65138581      7.83296509    -13.88107438
  H     13.83117970      7.70894709    -11.23944326
  O     17.36235690      3.68569350    -15.03453761
  H     18.57283462      8.82624773    -13.15248101
  H      9.65418556      5.52738521    -13.24775473
  O     11.74786740      7.97499476    -14.74717201
  H     16.95783670     10.41094744     -9.83438433
  H     11.13982238      5.46768044    -12.82984792
  O     16.12445457      4.90735887    -11.06516517
  H     17.44549067     10.15193427     -8.38474963
  H     14.41164242      5.80776119    -14.24892890
  O     14.07426352      9.94844618     -9.36731492
  H     11.06557558     10.86853162    -13.67501702
  H     14.24819806      7.15097642    -13.51383195
  O     17.43040371      5.77608216    -16.92958372
  H     11.72700607      9.48603654    -13.87980134
  H     17.78345933     10.72265172    -13.93274578
  O     16.83678480     11.34462526    -11.26700577
  H     17.78988411      4.16219989    -14.29878727
  H     19.22806764     11.27643437    -13.86377375
  O     14.33431408     10.55237815    -12.39536077
  H     17.78374098      2.83152670    -15.08685310
  H     16.91371184      7.22706475    -15.96814177
  O     16.94924936      7.51057250    -10.73032440
  H     11.19679115      7.32032431    -14.29954565
  H     15.68751250      7.46407097    -15.05298341
  O     14.48756492      7.85787318    -11.93113990
  H     12.62036486      7.56245826    -14.80636415
  H     17.71649761      4.89993013    -12.18736123
  O     10.42648403      6.06879870    -13.10781824
  H     15.31964428      4.79931090    -10.54322057
  H     18.47152650      5.99783492    -12.97430399
  O     14.21648152      6.74149597    -14.39351087
  H     16.45513659      5.79075664    -10.84237540
  H     11.02548673      9.00729937    -11.92027417
  O     18.60230111     10.72479429    -13.40232387
  H     15.01296294      9.89615937     -9.14701046
  H     10.56719113      7.53285298    -11.93189249
  O     16.54178049      7.83597565    -15.31690223
  H     14.03363568     10.37465122    -10.22834021
  H     15.67082084      3.90087402    -14.13232809
  O     18.33648741      5.04410075    -12.91307557
  H     17.22503939      5.44788455    -17.80203695
  H     15.38330805      4.44360435    -12.71301061
  O     10.77519310      8.27369002    -11.34743989
  H     17.40381778      5.00768377    -16.34039336
  H     13.32429946      5.84711585     -9.62971673
  O     14.96169597      4.19050009    -13.54784433
  H     17.50890024     11.21034268    -11.94648369
  H     13.36386249      4.48774528     -8.89591999
  O     13.61664111      4.92207515     -9.70690780
  H     15.98131684     11.23039886    -11.70072053
  H     13.21689846      8.35012125     -9.41733373
  O     12.80728948      7.52449580     -9.71335539
  H     13.42396189     10.64014923    -12.70566298
  H     11.99613059      7.76263897    -10.18951358
          69
 Energy    -247.96484537624497     
  O     -7.26580039      3.73544945      0.07621288
  H     -6.99628470      3.05405927      0.71620790
  H     -6.86979551     -0.92571607      0.62682226
  O     -3.05821267      4.59103130     -2.35876744
  H     -8.04886020      4.14976661      0.43110134
  H     -0.71505815      0.21283223      1.54406877
  O     -6.28486314      1.81076038      1.74974405
  H     -2.24335690      4.14568788     -2.06932995
  H     -0.92636408      1.70644156      1.84770235
  O     -4.00922957     -1.40771920      0.32178068
  H     -2.79794484      5.24807248     -2.99949908
  H     -2.76132587      2.40088503      0.76347999
  O     -1.10013795      0.49228414     -2.17334986
  H     -5.73869339      2.07402674      2.50543855
  H     -2.44559490      3.70083611      1.55765259
  O     -4.57480784      2.23065452     -2.55246108
  H     -6.44749973      0.86012849      1.80107966
  H      1.88096248     -0.51438171      0.33112718
  O     -4.95506798     -2.12443675     -2.21384297
  H     -4.79478250     -1.36510570      0.88025153
  H      0.62267189     -1.33924066     -0.00687599
  O     -3.51204575     -0.19922882     -3.39474432
  H     -4.30055902     -1.74283962     -0.53853352
  H      2.77550950      1.26161430      2.00163882
  O     -0.90349237      3.21142933     -1.37941790
  H     -0.20740455      0.28682949     -2.47997445
  H      1.27805545      1.09830055      1.64687800
  O     -1.24124370     -0.97044770      0.21793391
  H     -1.10930567      1.43134442     -1.94741941
  H     -7.42183472      2.47684155     -1.37930242
  O      1.60424989     -0.06117108     -2.68561204
  H     -4.10781411      3.06643880     -2.65864401
  H     -6.39906320      1.94078601     -2.38058610
  O     -6.55655531     -0.96713593      1.55173299
  H     -4.39275522      1.93633596     -1.64653516
  H     -7.31162990      0.07411589     -1.41403178
  O     -0.39180018      0.94011818      2.09434004
  H     -4.95752552     -2.91634934     -2.74393516
  H     -6.54430503     -1.26816722     -1.55770742
  O     -2.04083988      2.94846447      1.11295282
  H     -4.44135388     -1.45764380     -2.70566179
  H     -3.95374704      0.44094726      0.08771869
  O      1.55462852     -1.22495573     -0.23652204
  H     -2.61904886     -0.05446628     -3.05454913
  H     -4.85654346      1.59624355      0.58969878
  O      2.17744011      1.12188301      1.27276109
  H     -3.95671888      0.65292090     -3.29228519
  H     -4.01878948      5.08034009      1.47524137
  O     -7.28095987      1.77222922     -2.02146597
  H      0.05409835      3.06667007     -1.35920785
  H     -3.33540315      5.86980229      2.62026969
  O     -7.21049624     -0.81049094     -1.03217137
  H     -1.21947178      3.16843134     -0.46504059
  H     -5.61309158      4.65849003     -0.16807598
  O     -4.06990493      1.39918050      0.06465792
  H     -1.23635661     -0.46307765     -0.60728170
  H     -4.24919114      4.92979296     -0.87477684
  O     -3.55279434      4.98937848      2.32730649
  H     -2.14715266     -1.27587332      0.34643736
  H     -3.72360999      2.22050663      3.90254399
  O     -4.75379696      5.08628269     -0.06853018
  H      2.12777316     -0.53263889     -3.32708194
  H     -4.20216300      3.53888214      3.27968709
  O     -4.51171403      2.69722368      3.64649667
  H      1.65822828     -0.56208096     -1.85127079
  H      1.80579381      1.67306960     -1.83432368
  O      1.71847167      2.42403789     -1.23463959
  H     -7.11881162     -1.58671733      2.00812660
  H      1.93821064      2.07823345     -0.35987044
          69
 Energy    -247.96472589741023     
  O      0.56062313     -3.63815854     -2.53892770
  H     -0.10048505     -3.19677537     -1.97660685
  H      0.92910407     -1.56712658      1.75430327
  O     -0.36159457      1.24199336      1.95920004
  H      0.26992494     -4.54110010     -2.63818265
  H      3.48559241      1.49461490      3.01319756
  O      4.37012712      2.15175761      1.55892792
  H      0.43391338      1.37283472      1.41676485
  H      2.67725312      0.22497746      3.32662118
  O     -0.06931850      0.46038018     -3.13217364
  H     -0.21643267      1.80103968      2.73054857
  H      1.01153137      3.02921604     -0.39590310
  O      3.81553490      1.25202081     -2.80454299
  H      4.37653742      3.11760782      1.46831955
  H      0.76659984      3.62953073     -1.77879630
  O     -2.51897669      0.05056933     -1.85494017
  H      4.85741608      1.77010048      0.81952945
  H     -1.47452972      1.80488623      0.58681537
  O     -1.27324046     -2.39159603     -0.95399379
  H      0.47457456      0.10952504     -2.40764389
  H     -1.14136818      2.74968954     -0.57342895
  O      2.60058683     -1.57582590      2.55871848
  H     -0.98493624      0.37070505     -2.84219513
  H      0.82507052      1.97906680     -3.38994676
  O      4.06697124      4.85516246      1.34074951
  H      3.06335081      1.82785416     -2.98020701
  H      1.29818365      3.13609706     -4.29748466
  O      4.28965928     -1.57242861      0.43020212
  H      3.71501247      0.47850002     -3.37321783
  H      4.06196470     -1.36786496     -5.10947651
  O      0.81821596      2.97785557      3.78949104
  H     -3.44199145      0.13174613     -2.07885359
  H      2.63083134     -1.33630251     -4.52064634
  O      0.11238659     -1.39290947      1.26787780
  H     -2.30784895      0.79774997     -1.26454314
  H      1.90343931      0.93706160     -0.18399783
  O      2.82020236      1.13242222      3.61664768
  H     -1.75173959     -1.60947150     -1.25432662
  H      2.72421620      1.84134314      0.80670806
  O      0.48177211      3.69801751     -0.86202689
  H     -0.92488585     -2.17417703     -0.07850487
  H      2.09561987     -1.18714396     -1.30853074
  O     -1.79202699      2.10085592     -0.27673128
  H      2.91714407     -2.24113357      3.16524935
  H      0.91909012     -0.90091101     -0.32727421
  O      1.41306007      2.75252607     -3.43111944
  H      3.23034163     -1.55948775      1.81623164
  H      0.90898181      4.62382617      0.80140932
  O      3.56805318     -1.16080239     -4.32056308
  H      4.41451498      5.73701656      1.43866776
  H      1.07343764      4.25323057      2.30316849
  O      1.86540375      1.71485169      0.38858500
  H      3.10270815      4.93489833      1.43802762
  H      0.48925068     -0.91749716     -4.23767022
  O      1.42499079     -0.53896000     -1.06762536
  H      4.00408332     -2.06885496     -0.34777826
  H      0.73204299     -2.42028894     -4.00427942
  O      1.33685540      4.88732609      1.62548513
  H      4.72793571     -0.78029466      0.09726153
  H      2.31283340     -3.07940814     -2.10744786
  O      0.93511937     -1.69288787     -4.60590481
  H      0.76035847      3.31156800      4.68060402
  H      3.41602761     -2.19193259     -2.74794839
  O      3.13366967     -2.60348398     -1.92043788
  H      1.54940843      2.33361138      3.78087804
  H      4.84652588      1.02160041     -1.42377502
  O      5.43070460      0.81553735     -0.67269469
  H     -0.21453604     -0.54271988      1.59580993
  H      6.32504664      0.87558498     -0.99886732
          69
 Energy    -247.96456364125982     
  O     -7.78958308     -2.40049496      7.23696456
  H     -7.81676662     -2.75236774      8.12351082
  H     -6.65381218     -0.29591749      4.26285233
  O     -8.23069658     -3.01052567      3.22178486
  H     -7.33430509     -1.54132217      7.29350024
  H     -6.89948539      0.86035982      7.21906302
  O     -6.33431369     -3.66965062      5.13213050
  H     -7.96191525     -2.12049582      3.49937964
  H     -5.84320149     -0.04176908      6.55751440
  O     -5.18030897      0.78294770      0.92972449
  H     -9.19093840     -3.03165472      3.30172783
  H     -3.13612530      4.81270461      1.52452936
  O     -7.69490360      2.53797735      6.73534545
  H     -6.78143912     -3.29969444      5.90276065
  H     -4.58248461      4.26202570      1.44486254
  O    -10.18559277     -1.38768842      6.04870140
  H     -6.99339005     -3.65206780      4.42426582
  H    -10.35554890      1.86971618      3.89724231
  O     -4.95880828     -0.10032285      4.97162965
  H     -6.12715711      0.59503390      0.92638732
  H    -11.53680928      2.74159553      3.40277467
  O     -5.83334902      3.49469434      0.51527702
  H     -4.74829273     -0.08032900      1.02627916
  H     -9.80511858     -0.25397338      1.51611085
  O    -10.98043979     -2.52496356      3.54128084
  H     -7.30040820      2.83665914      5.89770452
  H    -10.86370307      0.54244984      2.27833883
  O     -4.39987664     -1.76713746      1.41225477
  H     -7.69071077      3.28684167      7.32588861
  H     -4.83955535     -3.04623772      4.51533053
  O     -4.39256407      2.01765484      3.27269277
  H     -9.41622906     -1.84487418      6.41100936
  H     -3.30208397     -3.15443698      4.38263792
  O     -7.51632993     -0.39084923      3.84063034
  H    -10.47712286     -1.87991110      5.27135076
  H     -7.45946755     -2.81470449      1.52378821
  O     -6.50013802     -0.01461343      7.26840866
  H     -4.59071130      0.62051285      4.44495339
  H     -7.42595939     -1.59046109      0.60328654
  O     -3.89346503      4.58304110      2.05609451
  H     -4.53140942     -0.92360245      4.69913091
  H     -9.01152282      1.57261064      5.86528637
  O    -10.76313817      2.26898821      3.10705686
  H     -5.53855690      2.57491161      0.45546667
  H     -9.83574609      0.25374954      5.60536299
  O    -10.66858074     -0.33839319      1.93672083
  H     -6.72683536      3.46261996      0.87823515
  H     -4.95496857      5.48879410      3.24624582
  O     -4.04707853     -2.60053044      4.16505024
  H    -11.75788531     -3.01148560      3.28046118
  H     -5.90606982      6.65833973      3.54830938
  O     -7.02702549     -2.45610753      0.73637561
  H    -10.92358552     -1.75123870      2.95278610
  H     -5.90974310      2.76297167      4.01132313
  O     -9.53219614      1.08879858      5.21384780
  H     -5.24921935     -2.13777572      1.12807926
  H     -6.39018536      4.22149301      4.23556691
  O     -5.63744553      5.79824414      3.86268176
  H     -4.24567199     -2.09748848      2.30331829
  H     -8.10709960      1.25464218      1.32470862
  O     -6.65939714      3.29373150      4.31302895
  H     -4.01188066      2.85590194      2.99031787
  H     -7.75131460     -0.00571122      2.13525146
  O     -7.94814361      0.30510130      1.23495477
  H     -4.64935458      1.55080692      2.46187092
  H     -9.18256031      2.88426462      2.26474621
  O     -8.26211981      2.98586846      1.99136364
  H     -8.16521430      0.11052422      4.34885000
  H     -7.75326202      3.08207125      2.80877493
          69
 Energy    -247.96452593963892     
  O     17.17077139      9.38646841    -11.67388908
  H     17.40039486      8.90536220    -10.86722732
  H     13.51836141     10.31130843     -8.46022925
  O     17.54036828      3.74803568     -8.14067905
  H     16.83611666     10.25211506    -11.39774303
  H     14.11497534      9.12430980     -6.27139162
  O     15.67914253      4.42438708    -11.58844947
  H     18.14673164      3.01273537     -8.10420259
  H     14.48555515      7.63913804     -6.23185808
  O     13.71755197      6.33897534    -11.64869920
  H     17.79094410      4.28006792     -8.91533031
  H     13.98880880      9.04875848    -12.58522569
  O     18.94726410      5.58822875    -12.84219694
  H     15.95426660      4.31992411    -12.50824931
  H     15.53556457      8.85595729    -12.47629760
  O     14.76319011      3.77222951     -8.96144493
  H     16.44855802      4.77030822    -11.11458319
  H     18.46406212      5.41069246    -11.14275668
  O     18.62464122      8.29664724    -13.72628899
  H     14.34521311      5.60472486    -11.67529684
  H     17.92429571      6.26309474     -9.95010246
  O     17.52719513      8.34705848     -6.56136073
  H     14.06938932      7.04849489    -12.20653666
  H     16.58846303      3.97638031    -15.00305956
  O     14.14211152      5.84822721     -7.27549052
  H     18.94342787      6.50396209    -13.14792451
  H     16.44294956      5.42781620    -14.48599758
  O     17.51605845      7.91679399     -9.33760374
  H     18.28266654      5.13126436    -13.37226367
  H     12.18175709      9.05521223     -7.22126185
  O     14.83449228      7.55184647     -9.39441941
  H     15.64312370      3.61467162     -8.59576933
  H     11.82651917     10.34129943     -6.43430118
  O     14.06526334     10.22737501     -9.24982877
  H     14.90329982      3.84978242     -9.91257817
  H     10.59214546      6.75734855    -10.96622318
  O     14.83924787      8.51953454     -6.07111061
  H     19.26917999      8.91737809    -14.05637715
  H     12.13633815      6.78021653    -10.98814936
  O     14.74211498      8.54957455    -12.93407244
  H     18.15144728      8.74313293    -13.00366184
  H     15.52131425     12.41799219    -11.07361269
  O     18.00885521      5.36177659    -10.28925921
  H     16.58581939      8.50842982     -6.37147713
  H     15.28096410     11.22559652    -10.13366520
  O     16.64932654      4.51387289    -14.21822008
  H     18.02362645      8.84669417     -5.91831498
  H     12.45822133      6.77545953     -7.54649771
  O     12.52134262      9.92350459     -6.93498045
  H     14.14703144      5.09216845     -7.88318628
  H     11.61967722      7.34567381     -8.71766131
  O     11.35226780      7.18990132    -10.58400107
  H     14.96773343      5.75632446     -6.77344637
  H     12.02006469      8.92391065    -11.28633920
  O     15.93843288     11.63703723    -10.71778149
  H     16.55631956      7.77227229     -9.38363306
  H     13.01968764      9.97397148    -10.78584041
  O     11.80792740      7.45023223     -7.77607908
  H     17.69830529      8.14032199     -8.41745938
  H     17.11748039      6.44374433     -6.29182384
  O     12.59081259      9.64080762    -11.58544586
  H     14.60539774      7.00277560     -8.63393477
  H     17.05816820      4.97684527     -6.79663726
  O     16.63668618      5.61311157     -6.20404414
  H     14.45192747      7.13535594    -10.17600116
  H     17.10279113      7.54924457    -14.61230279
  O     16.25803397      7.12640543    -14.81235873
  H     14.36274324      9.30545055     -9.27207841
  H     15.60062752      7.62556117    -14.30954621
          69
 Energy    -247.96449475415506     
  O     12.09614213     11.33384455    -14.22993816
  H     12.77367614     12.01462140    -14.15867248
  H     18.88836943      8.51274218    -14.86368383
  O     15.70628263      6.52720155    -13.59848605
  H     12.39766791     10.73491123    -14.92881030
  H     16.52671303     11.58061427    -15.98853066
  O     17.43816206     10.39241789    -10.86709527
  H     16.60180592      6.27615092    -13.34125105
  H     15.35839514     11.70088567    -16.98079265
  O     17.62683793     10.12721435    -15.33784854
  H     15.17690564      6.60325531    -12.79265573
  H     14.56758740      9.26365084    -14.88592009
  O     12.35670835      6.88707337    -16.00036437
  H     17.51183443      9.42269832    -10.85704495
  H     15.42304297      8.25054425    -14.04731001
  O     15.41924952      9.47837409     -8.85663466
  H     16.64244202     10.64335069    -11.35899495
  H     10.16187341      9.95163146    -12.16706260
  O     14.09412648      7.00068969    -11.37720170
  H     18.16029944     10.46036838    -14.60536663
  H     11.39780018     10.33259922    -13.01846775
  O     15.19775173     11.09761474    -12.35295096
  H     16.80874380      9.77835834    -14.94557552
  H     17.98415513      7.03014056    -11.39857202
  O     16.51752850      8.65918401    -17.58163172
  H     12.22976021      6.93196937    -15.03497779
  H     17.09199532      7.23401126    -10.15155560
  O     15.63322201      6.76730358     -9.01832982
  H     11.65308950      6.34347802    -16.34378301
  H     11.61705359      8.00770360    -13.01974995
  O     15.19256919      6.53626893    -16.35767587
  H     14.63260907      9.62719544     -9.40070459
  H     12.66550125      6.93893301    -12.65834931
  O     19.42449094      8.16304720    -14.14503006
  H     16.14387839      9.92456028     -9.30804291
  H     18.60276106     10.67503415    -12.19320109
  O     15.78328447     12.14337440    -16.23616755
  H     14.54637373      6.71826287    -10.57359311
  H     19.81343947     11.42190697    -12.78966279
  O     15.29845195      9.18437131    -14.25974735
  H     13.87755555      7.93318641    -11.23127332
  H     18.81448624      6.71955590    -13.38420224
  O     11.06399732      9.70502893    -12.35131943
  H     14.94624535     11.89777322    -12.82743615
  H     18.92283082      5.21595609    -13.03207789
  O     17.72017322      7.67633043    -10.73466165
  H     15.22434224     10.38756657    -13.01493456
  H     14.54290544     10.56457375    -19.19274314
  O     12.01546088      7.18407631    -13.32745763
  H     16.10999363      7.87958012    -17.17264636
  H     15.33138865      9.78268639    -18.11120182
  O     19.16378784     10.75080873    -12.98262620
  H     17.05561802      9.08962818    -16.90884822
  H     12.53507070      9.71609512    -11.21342812
  O     18.37571318      5.98764077    -12.91501100
  H     15.63589970      6.33581713     -8.16859918
  H     13.98348251     10.25054590    -11.34908675
  O     14.63700283     10.45371385    -18.25122176
  H     15.55123800      7.72366208     -8.84743880
  H     14.86074668     12.80144158    -14.90264135
  O     13.41510967      9.66987719    -10.82128243
  H     14.22883650      6.56371488    -16.36476616
  H     14.37149727     14.05891271    -14.14800051
  O     14.35912115     13.10589026    -14.12548100
  H     15.42406565      6.37584794    -15.43319808
  H     12.82382080      8.65293277    -16.16954902
  O     13.16310410      9.55019005    -16.05584716
  H     19.54589503      8.92513871    -13.56402627
  H     13.56661867      9.83557417    -16.88530509
          69
 Energy    -247.96435038526243     
  O     16.89144634     10.07844216    -11.79657110
  H     17.12254233     10.94623356    -11.43966106
  H     17.55579328      4.90995140    -12.40394082
  O     13.20701802      7.31050155     -8.50621975
  H     16.69243671      9.53302671    -11.01834823
  H     14.69576041      6.15957817    -10.89896328
  O     17.50035190     12.23599171    -10.21868471
  H     13.91086159      6.78585526     -8.91549481
  H     16.10215702      5.84960061    -10.29988915
  O     14.71101773      9.09128216    -13.15970875
  H     12.50825501      7.35932554     -9.17508849
  H     19.31778539      7.06754433    -15.17877389
  O     18.79107350      8.12720635    -12.20916926
  H     16.82465050     12.22871767     -9.53064789
  H     18.71293076      7.39823756    -13.79477329
  O     20.23789399      8.56533587     -9.95189841
  H     18.30685656     11.91412248     -9.79538541
  H     16.99111302     11.10582682     -7.17624805
  O     17.87530546      5.85596755    -10.76854015
  H     15.47780237      9.50319563    -12.73594567
  H     17.60257214      9.74060799     -6.78673139
  O     11.68823455      7.60178149    -10.78650532
  H     15.03668355      8.65565478    -13.96134308
  H     15.39597656      6.65983884    -15.05794001
  O     15.52166630     11.94243011     -8.07774807
  H     19.42310698      8.28788908    -11.49210919
  H     16.72965809      7.41887503    -15.07206571
  O     12.69235226     10.18947970    -11.65473355
  H     18.16359772      8.86270239    -12.19138135
  H     15.82009999      7.76641479     -9.82884606
  O     13.76720505     10.03106128     -9.06246146
  H     19.96915734      7.89588047     -9.31233987
  H     15.33018060      9.18751951     -9.43572365
  O     17.35358863      4.71626182    -13.32729905
  H     20.07500265      9.42454610     -9.54179515
  H     19.07311211     10.94704983     -8.01975937
  O     15.19780063      6.10361303    -10.07213974
  H     18.13052249      6.64159296    -11.27302231
  H     20.40399694     11.63503804     -8.40296648
  O     18.54202391      6.94363476    -14.63827574
  H     18.34557334      5.91594715     -9.92820408
  H     14.03657260      7.30173576     -6.87328032
  O     17.79937634     10.68360543     -6.85975069
  H     12.25251650      7.08336079    -11.37731327
  H     14.16524642      6.99668441     -5.37393898
  O     15.77580735      7.54150380    -15.15504922
  H     11.80300146      8.51201762    -11.08206197
  H     14.10759119      7.41171222    -12.63965576
  O     16.12068676      8.66079718     -9.61380611
  H     14.84291876     11.31381501     -8.36944751
  H     14.02376421      5.92362378    -13.07755922
  O     19.70015266     11.09242305     -8.75031251
  H     15.05710341     12.67186926     -7.67294814
  H     19.61741514      5.93572346     -7.65459916
  O     14.65256827      7.32647306     -6.12491305
  H     13.37183244      9.83618180    -12.25376132
  H     18.45692725      6.94729473     -7.79324788
  O     13.76697934      6.54326200    -12.38317162
  H     12.24201861     10.88091738    -12.13357854
  H     16.85627633      8.27071006     -8.03246361
  O     19.14037316      6.46529459     -8.28863234
  H     13.48349269      9.16099735     -8.74958487
  H     16.33869646      7.69478009     -6.69037682
  O     17.14203879      7.96133035     -7.15850217
  H     13.36795145     10.16700907     -9.93282493
  H     14.62353423      4.13118462    -14.84859302
  O     14.86045877      4.92073937    -14.37037805
  H     17.84200207      5.37054436    -13.84461629
  H     15.73768081      4.76133871    -13.97725773
          69
 Energy    -247.96418822728228     
  O     17.59182128      9.15206586    -13.18936991
  H     18.12603134      8.55976314    -13.74602002
  H     15.50795007      7.13651616    -16.00274397
  O     16.90347828      1.80780808    -12.64590761
  H     18.00662420     10.01022662    -13.22879262
  H     18.58487579      1.82509219    -12.19423795
  O     20.65100813      5.50886607    -13.86125761
  H     16.79080433      2.11404710    -13.55247031
  H     19.84349741      1.23982878    -11.50595825
  O     14.60295082      4.03234324    -16.21818921
  H     16.27968549      2.30680271    -12.10297262
  H     13.30094928      7.37575607     -9.46928676
  O     18.95599252      4.11746214    -17.16211880
  H     20.32262688      5.39486675    -12.95830030
  H     12.84320599      5.92906315     -9.72342296
  O     13.40681836      4.18278438     -9.15813695
  H     20.52097121      4.64451995    -14.27094645
  H     19.33694492      3.79518056    -11.59772657
  O     16.12487555      7.88341374    -11.14741638
  H     13.92971932      3.84522381    -16.86552619
  H     18.52625430      4.94889184    -10.91557415
  O     19.92056304      2.86117063    -14.72082718
  H     14.96877849      4.91310409    -16.43120885
  H     15.54838881      5.14104417    -13.54367937
  O     16.99767129      5.43531750    -10.09508291
  H     18.16034602      3.76051941    -16.74722579
  H     14.41521426      4.53079004    -14.40353220
  O     18.42988598      6.77127691    -17.48456592
  H     19.67444188      3.76098635    -16.62977084
  H     19.61386636      6.79219403    -14.50570006
  O     17.32488844      5.33540872    -13.63136173
  H     12.86974941      3.44163292     -8.88893100
  H     18.78046092      7.27677686    -15.73997911
  O     15.70159930      6.43271028    -16.64037481
  H     13.98680195      3.86303366     -9.86822656
  H     13.93891855      6.41347647    -12.88782104
  O     19.53132460      1.97893312    -12.02063282
  H     16.70723918      8.34594959    -11.76126178
  H     13.26238773      7.16961348    -11.70775200
  O     12.71829159      6.83882647    -10.02022025
  H     15.31153866      7.68068625    -11.63412727
  H     15.88106973      4.17491114    -10.81388687
  O     19.18139775      4.74837820    -11.59880819
  H     18.98368288      2.78394061    -14.94103285
  H     14.87605053      3.96959711    -11.98418710
  O     14.61777153      4.86301558    -13.52221952
  H     19.99256826      2.48357471    -13.83512952
  H     16.18986090      3.24183529    -15.65366716
  O     18.88895695      7.37347089    -14.78641654
  H     16.62419262      5.44253420     -9.20241839
  H     17.20996022      3.91046736    -14.70480255
  O     13.78355572      7.29276919    -12.51437322
  H     16.76016488      6.27933467    -10.50353721
  H     14.74009642      5.10868619     -8.09262119
  O     15.21307507      3.56935487    -11.16894302
  H     18.74355466      7.10192903    -18.32216376
  H     15.26109466      6.54948862     -7.92906579
  O     17.06056521      3.12199305    -15.25263296
  H     18.67465272      5.83029577    -17.44270542
  H     14.91933083      9.14959426     -8.37108655
  O     15.50247162      5.62307343     -7.79841911
  H     17.93933192      5.09466761    -12.92543351
  H     15.36642911      8.23358473     -9.53225739
  O     14.85333512      8.25955511     -8.70776923
  H     17.72615995      6.07194062    -14.10748076
  H     15.98849891      8.73710620    -14.24012932
  O     15.23719150      8.34719184    -14.69947144
  H     16.57167366      6.61781757    -17.00723605
  H     14.60218373      8.11325135    -14.00975844
          69
 Energy    -247.96401695305235     
  O     -1.56247827      3.95203067      4.10975302
  H     -2.07618984      3.30899294      3.59962906
  H     -2.99075459      5.39700210     -0.58508746
  O     -2.06945075      5.36962017     -2.24840145
  H     -1.78153724      4.80268032      3.71324047
  H     -2.80242094      0.80845730     -2.44557024
  O     -4.18336470      2.55691283     -0.13470630
  H     -1.14669419      5.54791364     -1.99229178
  H     -3.57358442     -0.22011706     -1.59241279
  O      1.82861007     -1.02205892      1.80200867
  H     -2.27683387      5.96471833     -2.96396116
  H      0.09318084      3.27266165      4.04255628
  O      2.50507896      3.85471765     -1.72557884
  H     -4.45063317      1.63530844     -0.03502004
  H      1.54349279      3.68511592      3.70556399
  O     -0.17783789      3.06447694      1.23767552
  H     -3.49422656      2.55741660     -0.81698241
  H     -0.61325853      6.13418032      1.78467205
  O     -0.07638556      0.09306425      3.60472558
  H      1.27732838     -0.91130718      1.00863231
  H      0.06159494      4.85544490      1.24524057
  O     -4.29857052     -0.27143076      0.19163061
  H      2.20073593     -1.89906379      1.76034159
  H     -3.27722909      2.49091250      1.45203921
  O     -1.90267543     -0.33597850      1.59119398
  H      2.86194487      3.82314294     -0.81841473
  H     -2.42556017      1.35621641      2.05887404
  O      0.15927752     -0.56435591     -0.31176737
  H      3.25442031      3.88067220     -2.31401768
  H     -2.17449081      3.50479843     -2.27032892
  O      3.01805625      1.48439276      2.33453769
  H      0.36088681      2.88916668      2.01865490
  H     -1.26213392      2.33813323     -1.83050773
  O     -3.44234125      5.26511652      0.25783082
  H     -1.09015542      2.87430295      1.49438975
  H      1.60771207      5.60151843      2.47029122
  O     -3.07005370     -0.11885783     -2.40899760
  H      0.24494375      0.96196556      3.86248519
  H      2.70599920      6.04750742      3.46565651
  O      0.96931328      2.91595006      3.81860349
  H      0.64770277     -0.32880079      3.12171310
  H     -2.83314516      7.00434407      2.81572629
  O      0.20297897      5.80500602      1.38734531
  H     -3.49413049     -0.38377518      0.72462309
  H     -2.75857932      5.91002760      1.72787021
  O     -2.67324286      2.28301572      2.17602500
  H     -4.92813543     -0.91328044      0.51096101
  H      0.23255310      2.40838850     -0.31291425
  O     -2.17167656      2.55937912     -2.07508340
  H     -1.37990429     -0.28773255      2.40565713
  H      1.16469337      2.55633418     -1.53390886
  O      2.34541612      5.28552772      3.01945966
  H     -1.25977483     -0.42135960      0.87364123
  H     -1.76757703     -1.30963998     -2.46481992
  O     -2.30140103      6.27566527      2.50692556
  H      0.31526604      0.31655014     -0.67952433
  H     -0.97028590     -2.41851414     -3.17512763
  O      0.42448151      2.04246546     -1.19227428
  H     -0.17729674     -1.12207382     -1.02800745
  H      3.19257470      4.37495667      1.50726737
  O     -1.01073240     -1.91340160     -2.36819444
  H      2.70582328      0.59862318      2.11341091
  H      3.36308348      2.87544920      1.24675195
  O      3.39364552      3.74100665      0.81185092
  H      2.40994483      1.82351498      3.00057703
  H      1.18006939      5.19612590     -1.58458426
  O      0.45987556      5.81668772     -1.41927030
  H     -3.89936416      4.41948252      0.17536255
  H      0.44732874      5.97114359     -0.46578612
          69
 Energy    -247.96397816137653     
  O     -7.80811450      2.60114593     -0.63906485
  H     -7.16369884      2.97704473     -1.25843531
  H     -7.60625381      0.80512579      4.08282379
  O     -4.22454726      1.76012365     -3.66449347
  H     -7.97030380      1.69246604     -0.91563204
  H     -3.77824247      0.78557769      4.96926700
  O     -6.19603729      2.74978754      1.52002926
  H     -4.53350301      1.65104301     -4.56052297
  H     -4.07221680     -0.13965921      3.77534895
  O     -3.55534948     -0.88063671      2.24447381
  H     -4.65758800      1.07110208     -3.13075882
  H     -0.56744526      1.20928371      1.55527972
  O     -1.42838785     -1.03058483     -1.40316408
  H     -6.86193193      2.71940240      0.81174340
  H      0.50184460      2.22428200      1.11471091
  O     -5.35337541     -0.03037856     -1.94321114
  H     -6.50253294      2.18574623      2.23820934
  H     -2.92242694      3.63464545      0.11704802
  O     -5.04950204     -2.94467535      1.12399905
  H     -4.00607202     -1.69223526      1.98052884
  H     -1.65228835      2.77507643      0.50854588
  O     -3.90904094     -2.33183452     -1.23888673
  H     -3.79754002     -0.21086853      1.58542472
  H      0.91635966     -0.81923709      1.03203146
  O     -1.70836931      1.55303322     -2.43360423
  H     -0.54985715     -1.31788374     -1.68257479
  H      2.01395874      0.15159101      0.55504782
  O     -0.93507785     -0.60289913      1.32313285
  H     -1.56987621     -0.15322509     -1.78590890
  H      2.83741370      2.58971123      0.00800828
  O      1.28529312     -1.50515057     -1.96000991
  H     -4.98472112      0.31898641     -1.11652369
  H      1.74859483      1.85394504     -0.80659837
  O     -6.92526225      0.79216914      3.41473715
  H     -6.30596038     -0.11328970     -1.81078506
  H     -7.79481313     -0.52521441     -0.31495818
  O     -4.48546615      0.33208784      4.51754373
  H     -4.63554786     -2.78728813      0.25501265
  H     -8.81827714     -0.67376763     -1.46751052
  O     -0.36911258      2.15566067      1.52590990
  H     -5.10800486     -3.88938628      1.23529133
  H     -6.50302417     -1.71675981      1.24632067
  O     -2.34462648      2.91336832     -0.15702509
  H     -3.00374657     -1.99869491     -1.29847553
  H     -7.10030924     -0.48525103      1.98256438
  O      1.78676239     -0.78550519      0.61154298
  H     -4.46101746     -1.63994634     -1.62623247
  H     -4.99493954      1.57220161      0.78246466
  O      2.08118320      2.01589973      0.09434351
  H     -2.48656072      1.64411960     -2.99547594
  H     -3.56296517      1.61887318      0.18262958
  O     -8.03411440     -0.20113743     -1.20292471
  H     -1.87195252      2.10775050     -1.65517032
  H     -5.08485051      4.03650001      0.93467393
  O     -7.21166495     -1.06240436      1.21876045
  H     -1.75537282     -0.79338467      1.79305247
  H     -4.66735353      5.51165609      0.74561401
  O     -4.29791817      1.02715740      0.39371915
  H     -1.12856417     -0.74524358      0.38502049
  H     -5.15054331      4.06877768     -1.35347420
  O     -4.46919971      4.62245646      0.46269968
  H      1.84744887     -2.20660111     -2.27602251
  H     -5.09935201      3.15923661     -2.60442695
  O     -5.68542158      3.70241032     -2.06600341
  H      1.54342682     -1.32923499     -1.03679845
  H      0.16185164      1.49675684     -2.50160871
  O      1.10473895      1.34000254     -2.35770914
  H     -6.08246201      0.63799754      3.87539704
  H      1.22348425      0.38287473     -2.39274487
          69
 Energy    -247.96394956910166     
  O      9.70985300      6.70683833    -10.40860420
  H      8.85988732      7.01426458    -10.07597594
  H     10.66901618      9.49009662    -11.74235210
  O     11.53769407      8.76009851    -10.18374363
  H     10.32334118      7.45223812    -10.34866992
  H     12.49546769      4.06029132    -11.41666647
  O     12.34500383      7.70736671    -13.69899586
  H     11.56444445      8.71244374     -9.21885684
  H     12.16672330      4.52513894     -9.99933967
  O      8.62014257      9.00534473     -7.27334909
  H     12.29617503      8.26305357    -10.51956043
  H     14.32555142      5.01812952     -7.18441499
  O      6.23589526      6.96987664    -11.75285250
  H     12.95497923      7.69253747    -14.43230832
  H     14.45988216      4.78359823     -5.66061568
  O      6.68373713      5.32147918     -7.86853514
  H     12.86730288      7.53880293    -12.89717236
  H     12.12622373      5.45647679     -6.49986907
  O     14.95718695      4.81262407     -8.79684624
  H      8.17852396      9.81597541     -7.03159090
  H     11.00160362      5.15941157     -7.53714810
  O     13.54706405      7.14069528    -11.28907122
  H      8.14449365      8.64937497     -8.04198834
  H     10.11307418      3.72200433     -9.51197513
  O     10.20822069      5.93631346    -13.09594489
  H      5.40005551      7.05420928    -12.20311813
  H     10.22874484      5.26438675     -9.54867979
  O      7.06658623      4.42781318    -10.56074707
  H      6.91328970      7.32739653    -12.35598687
  H      8.75808317      7.11935697    -13.48698142
  O     15.59556749      7.55180910     -9.44552748
  H      5.92578845      5.04982434     -7.35705902
  H      8.79740739      8.59662662    -13.09776637
  O     10.34455804      9.54138440    -12.65025432
  H      7.37545898      5.56687033     -7.22840154
  H      9.47660157      6.02216711     -6.24184818
  O     12.87444413      4.52548792    -10.65758048
  H     14.31844150      4.56671067     -9.47988250
  H      8.57095501      7.26416287     -6.36601628
  O     13.96240238      5.26624987     -6.31513911
  H     15.32650346      5.65996810     -9.07287265
  H     11.32454258      7.43569016     -7.21782950
  O     11.21900818      5.67407910     -6.74438800
  H     14.32354009      7.33963337    -10.75107411
  H     10.48083666      8.72573702     -7.32650168
  O     10.55934846      4.47020406     -9.09842255
  H     13.30058633      6.22193309    -11.10505132
  H      6.82390897      7.59836426    -10.14005691
  O      8.18857807      7.88582329    -13.34302515
  H     10.00856489      6.17299174    -12.17790282
  H      6.98683910      6.90296657     -8.76852506
  O      8.55633665      6.31549036     -6.19461497
  H     10.93344714      6.50884070    -13.37893535
  H     10.52899820      3.00859644    -11.99595337
  O     11.37376001      8.37795367     -7.43784061
  H      6.93257607      4.64651824     -9.62953753
  H     10.85593939      4.21127936    -12.88613423
  O      7.26688506      7.67272695     -9.28385302
  H      6.79926770      5.20737444    -11.05981440
  H      8.75343909      1.77044692    -10.60407753
  O     11.22712170      3.38503751    -12.54470672
  H     15.10398261      7.79317594     -8.63959472
  H      8.37268562      3.26227457    -10.72849570
  O      9.12448089      2.64535902    -10.68337423
  H     16.42261123      8.02478743     -9.41602278
  H     14.13626732      7.13583526     -6.74767017
  O     14.16548114      7.99678211     -7.18397099
  H     11.01438755      9.07678154    -13.16646161
  H     13.25254488      8.30986322     -7.21064046
          69
 Ord_Energy   -247.963760    
 O   -3.65985632     -0.923271596       1.07360923    
 H   -4.41109324     -0.845204473      0.469754666    
 H   -3.10636520     -0.138238579      0.942049444    
 O   -1.10524797      -6.41421080E-02  -2.67268038    
 H   -1.78995883      0.340488970      -3.22221136    
 H   -1.52311027     -0.821822405      -2.23989105    
 O   -4.88146687       2.55452394       2.98283601    
 H   -5.01778412       1.61888158       3.16045642    
 H   -5.63606691       2.86280155       2.45602298    
 O   -1.60170925       4.16571236      -2.19493580    
 H   -1.07226086       3.43198133      -1.86005008    
 H   -2.03804040       4.56540394      -1.43343699    
 O   -7.27498484       1.86231709      -4.30216646    
 H   -8.05514336       1.98152232      -4.83831072    
 H   -7.58523607       1.60853732      -3.41419649    
 O   -5.85088539     -0.574285805     -0.738339961    
 H   -5.35211563      0.225225136     -0.976775110    
 H   -5.67463350      -1.24878907      -1.40802062    
 O   -2.61162829       3.68505311       2.24992585    
 H   -3.46033788       3.30819798       2.55498290    
 H   -2.08954525       3.85779595       3.02824259    
 O   -7.99631596       1.02150941      -1.83453107    
 H   -8.44620514       1.34339166      -1.04415858    
 H   -7.34728575      0.383715987      -1.51782000    
 O   -5.13243389      -2.31868577      -2.75402308    
 H   -5.24655962      -1.64388061      -3.44847989    
 H   -5.44751072      -3.14282560      -3.11461830    
 O   -4.32929039       1.60955811      -1.28605866    
 H   -3.59139752       1.58543587     -0.663343549    
 H   -4.77883816       2.45792890      -1.17366397    
 O   -3.26175642       1.25862896      -3.84283447    
 H   -3.12669611       2.13574100      -4.22000980    
 H   -3.64951491       1.39410949      -2.96449876    
 O   -6.87644911       3.44315505       1.34885573    
 H   -6.48119593       3.72075057      0.511157751    
 H   -7.65750408       2.92534709       1.12562096    
 O   -3.02016664       5.28374195       1.82523094E-02
 H   -2.99922991       6.20219088      0.278632760    
 H   -2.87955117       4.76197481      0.824138582    
 O   -2.95451069       3.95195460      -4.53064442    
 H   -2.49157214       4.42635393      -5.21557140    
 H   -2.44676661       4.07675982      -3.70813274    
 O   -5.42411852     -0.309446245      -4.51933336    
 H   -4.59669542      0.184994563      -4.42535782    
 H   -6.11605024      0.361545414      -4.53265333    
 O   -2.25204158       1.43579125      0.579496205    
 H   -2.32113099       2.17797804       1.19178379    
 H   -1.46043956       1.57260299       4.18771990E-02
 O   -2.57626629      -2.06415939      -1.41284394    
 H   -2.83228540      -1.87067091     -0.505067825    
 H   -3.39586592      -2.22379160      -1.89669061    
 O   -5.43942738       4.12231970     -0.949784458    
 H   -5.58416796       4.24857616      -1.90069175    
 H   -4.65664721       4.62224340     -0.692366302    
 O   -5.14779425     -0.284941107       3.31613183    
 H   -4.97238493     -0.842664301       4.07004309    
 H   -4.55748034     -0.584209442       2.60506654    
 O   -9.02013588       1.66069019      0.728060842    
 H   -8.51986885      0.919637561       1.11568141    
 H   -9.89087963       1.63728702       1.11530280    
 O   -7.43340111     -0.367657721       1.58780122    
 H   -6.93334675     -0.538585126      0.777999699    
 H   -6.77627993     -0.329302102       2.29184341    
 O   -5.67471743       4.15170813      -3.65452194    
 H   -4.79740238       4.09875536      -4.05240583    
 H   -6.17039251       3.37899327      -3.95342350    
 O  -0.150404125       1.91807508      -1.17645121    
 H   0.799187243       1.87119317      -1.11316156    
 H  -0.431601524       1.17910302      -1.74991429    
          69
 Energy    -247.96372585447671     
  O     13.63688282      8.87128578     -9.77038537
  H     13.19476770      9.19487619     -8.99004456
  H     13.71910533      7.44718465    -17.18157564
  O     15.57935927      4.68480796    -13.48393237
  H     14.26166469      9.56691805    -10.04224142
  H     17.63382707      7.11242373    -15.77278842
  O     15.17692591     10.87155770    -10.80874901
  H     14.67269931      4.55332330    -13.17853993
  H     17.48024719      5.60272103    -15.94888239
  O     17.63924880     10.80837249    -12.33039959
  H     15.60011890      4.56760232    -14.44170124
  H     16.66086732     11.00748150    -13.97333308
  O     11.21485171      8.92102911    -15.81546599
  H     14.60697689     11.18105550    -11.52646713
  H     16.16392631     10.07059522    -15.09703658
  O     16.95515644      6.09610289    -10.12415776
  H     16.06227544     10.84722629    -11.18804566
  H     14.90600289      7.78819533    -12.77257589
  O     12.42328256      6.78861639    -14.33143582
  H     18.38534493     11.34487955    -12.07329206
  H     15.70050621      6.48446005    -13.12899227
  O     13.74530586     11.28251081    -13.19678004
  H     17.89382974      9.88354329    -12.16843524
  H     13.97472017      7.00491921    -10.05789205
  O     14.02028590     11.17044162    -16.76372054
  H     11.44218231      8.13324839    -15.30694075
  H     15.15765532      6.04935566    -10.27212953
  O     15.77885512      4.65742148    -16.29180188
  H     11.71984761      8.86326081    -16.63633172
  H     18.58279135      4.87928363    -12.47910404
  O     16.22412882      8.35482844    -15.58107360
  H     17.33457923      5.37297949    -10.64542060
  H     17.15124563      4.31628952    -12.53646084
  O     14.08096617      6.78770445    -16.57631598
  H     17.40920969      6.88525202    -10.43323242
  H     12.48431531      4.06247629    -12.00996651
  O     18.12430325      6.28133704    -15.71948155
  H     12.46926729      5.99181200    -13.79137713
  H     13.39176433      5.26116202    -11.65057116
  O     16.04968100     10.95613797    -14.71861552
  H     12.66824990      7.50588038    -13.72439513
  H     17.25276482      7.89656307    -12.25827417
  O     15.75715300      7.44756747    -13.07038045
  H     12.99572287     11.47619569    -13.77262205
  H     18.75522326      7.57033158    -12.35604147
  O     14.19952083      6.13162111    -10.39492750
  H     14.53084231     11.21062104    -13.75944100
  H     19.10631708      6.24199039    -14.26284105
  O     17.96235227      4.30888716    -12.00991878
  H     13.25640029     11.43957412    -16.23747638
  H     20.50636964      6.09075330    -13.62791386
  O     12.99956043      4.76615538    -12.39512455
  H     14.78574877     11.23807199    -16.18127966
  H     13.48312457      9.74045492    -17.61737368
  O     18.12492659      8.15548639    -11.91794655
  H     15.64683953      3.99556610    -16.96579026
  H     12.93120226      9.14008037    -18.93174759
  O     19.58933560      6.24752236    -13.41805311
  H     15.16428049      5.38526469    -16.48722584
  H     10.92010004     12.02791648    -15.18896517
  O     13.07302123      8.94825400    -18.00868038
  H     15.50857320      7.92252859    -16.06098435
  H     11.45912991     10.58064696    -15.28864043
  O     11.71006358     11.50203557    -15.09833768
  H     16.11882690      8.06074883    -14.66063391
  H     13.40111950      9.55695331    -12.80289116
  O     13.25225594      8.64158740    -12.53046626
  H     13.50780363      6.76478618    -15.79533924
  H     13.21668135      8.64281863    -11.56612362
          69
 Energy    -247.96357714396208     
  O     -1.32003847     -2.47700981      0.27863420
  H     -1.53006584     -1.64694325      0.71871435
  H     -0.16547273     -6.43468994      1.58112733
  O     -2.67811017      0.01666822      6.49930821
  H     -2.16542141     -2.91394015      0.07945460
  H      3.29045174     -4.10012746      4.17592198
  O      2.55840527     -1.36822552      2.61332222
  H     -1.88711642     -0.53856471      6.47261316
  H      3.01266719     -2.59202137      4.01927138
  O     -2.34815883     -0.44844403      2.11085782
  H     -3.39771540     -0.57870023      6.74299025
  H     -0.78658698     -3.42969748      1.81556725
  O      1.51157133     -3.49578000      6.82591583
  H      2.98252633     -0.52319266      2.48589949
  H     -0.07886344     -4.47246005      2.77593371
  O     -4.63256610     -2.04178433      6.82256719
  H      1.64871188     -1.18464448      2.90150932
  H     -3.26796261     -5.24853107      2.84691133
  O     -0.61938733     -1.83150907      6.09041400
  H     -3.03246690     -1.13360212      2.15049192
  H     -2.19133024     -4.23099488      3.27926767
  O     -0.21897428     -5.51407369      5.75932626
  H     -2.66760184      0.25178910      2.69494624
  H      3.23203090     -4.94084362      2.20783998
  O     -5.46492116     -0.82040197      4.35018302
  H      2.12608220     -3.40735486      6.07529206
  H      4.14850379     -6.07512857      2.73565657
  O      0.64774649     -6.08499444      3.19548519
  H      2.04414295     -3.55335844      7.61456525
  H     -4.00901001     -3.11940308      2.82298359
  O     -3.30842999     -6.27294570      1.26564176
  H     -3.98478336     -2.73787333      6.62329599
  H     -4.90035292     -1.85668092      2.99972423
  O     -0.64716114     -6.38024990      0.74308409
  H     -5.16066010     -2.36086173      7.54996307
  H      2.67566941     -2.88727066      1.45874383
  O      3.12120165     -3.29087498      4.67440603
  H      0.13098180     -2.33093332      6.43553626
  H      2.06232502     -3.86550676      0.41723786
  O     -0.59615530     -3.65823320      2.73459764
  H     -0.36668901     -1.51206826      5.21323522
  H     -0.15008926     -2.10846082      3.30369665
  O     -3.07995276     -4.55629914      3.49203543
  H      0.40335183     -4.90553102      6.17754610
  H     -0.78710794     -0.73939001      3.03077643
  O      3.39596567     -5.53635012      2.96310668
  H     -1.09211905     -5.16624085      5.96696466
  H     -0.07277639     -3.48160925     -0.46353076
  O     -4.38086173     -2.35878808      2.35617064
  H     -5.27465314     -1.23736831      5.19987776
  H      0.62657255     -4.17531829     -1.65329701
  O      2.78615284     -3.75220617      1.04467230
  H     -4.87617532     -0.05854266      4.28857523
  H     -3.52714870      2.13342213      4.29891288
  O     -0.02977919     -1.15574877      3.46200577
  H      1.60925607     -6.00549699      3.19091598
  H     -3.06957447      0.83721612      5.00620039
  O      0.58191010     -4.16034675     -0.69989613
  H      0.34291769     -6.00285823      4.11230091
  H     -2.87494028     -4.10555783      5.21479067
  O     -3.37713410      1.20237052      4.15719852
  H     -2.36357871     -6.36027873      1.04594075
  H     -1.94383089     -3.14428472      6.03308963
  O     -2.63684615     -3.81686594      6.10879342
  H     -3.71189679     -7.11721456      1.08311369
  H     -3.67599603     -4.62709125      0.33677648
  O     -3.71723375     -3.71824358      0.01549710
  H     -0.18967324     -5.72520395      0.20528106
  H     -4.14492718     -3.20732223      0.71876041
          69
 Energy    -247.96343031547221     
  O     15.51715933     12.07812939    -12.46378265
  H     16.19863928     11.48474700    -12.12969034
  H     15.60932227      6.75671406    -13.90642367
  O     17.25160934      9.39131157     -7.42969912
  H     15.05942491     12.42621764    -11.68816350
  H     11.67999598     11.38177083    -11.53809753
  O     16.37909705      5.79257948    -10.89010310
  H     18.01021140      9.37840548     -8.02560101
  H     11.28036106     11.03459065    -10.08945448
  O     12.75170291      5.37932749    -10.98728107
  H     16.60762619      9.98416788     -7.84098046
  H     19.01731246      8.10122571     -9.41011764
  O     18.42536869      6.47701788     -9.12709210
  H     15.98688019      5.06944777    -11.39209801
  H     20.19131159      9.10674210     -9.45935025
  O     16.48125439      6.82180166     -7.01983224
  H     15.72390430      6.04146750    -10.22136780
  H     14.12522423      7.31756753     -9.05598261
  O     17.19461002     10.17737259    -11.07073771
  H     13.35075644      4.76646958    -11.43479605
  H     15.08956956      6.44679716     -8.21691728
  O     14.05040887     12.95022897    -10.14962177
  H     13.24663656      5.69341072    -10.21830873
  H     12.43631799     11.10764094    -13.72763425
  O     10.51583050      7.27534298    -10.68710717
  H     17.87440416      6.46984709     -8.33511921
  H     12.67420645      9.92667998    -12.76566936
  O     15.42489301     10.81583133     -8.97898242
  H     17.85596433      6.13915966     -9.83186341
  H     12.42892808      6.13278486    -12.65712573
  O     13.77664846      8.67632639    -12.12863691
  H     16.71280587      7.76465702     -7.10538886
  H     11.62867802      7.10638271    -13.58312225
  O     15.09160973      6.02297258    -14.26103108
  H     16.57377925      6.60038852     -6.09701493
  H      9.47702504      8.54747722    -13.83777320
  O     11.67369501     11.72514621    -10.63448913
  H     16.57172603     10.38676579    -10.36008340
  H     10.78751248      9.18208145    -13.31376110
  O     19.24029803      9.04615381     -9.48782093
  H     17.99507174      9.86687462    -10.62913731
  H     10.17230807      9.42136514     -8.36572300
  O     14.47533295      6.41865379     -8.96154994
  H     13.89076121     13.87314526     -9.97141545
  H     10.61225503      8.66351723     -9.64100298
  O     11.97812917     10.48574447    -13.14445437
  H     13.18055993     12.53985664    -10.30174290
  H     14.94343058      4.66234751    -13.16420170
  O     12.45752275      6.62038675    -13.49323311
  H     11.15756957      6.55840108    -10.73661635
  H     14.95695627      3.15466741    -12.81238490
  O     10.26052649      8.36410110    -13.32624719
  H     10.35797879      7.58051140    -11.58984827
  H     14.38661951     12.11658688    -13.83283659
  O     10.77375949      9.46022065     -9.10449109
  H     14.73727424     10.13813553     -9.06054457
  H     14.09375191     12.39758233    -15.31629552
  O     14.81358157      4.02115213    -12.44183636
  H     15.01751419     11.64511195     -9.25653420
  H     13.55727324      8.86707513    -10.38696062
  O     13.68006820     12.12659328    -14.50163549
  H     13.32026621      7.94850975    -12.56938624
  H     12.58134163      9.13892513     -9.20081185
  O     13.49477741      8.92201684     -9.42019111
  H     14.71631422      8.55848802    -12.32043489
  H     16.77463786      8.76687221    -12.16134826
  O     16.39574851      7.99819653    -12.60917017
  H     14.16429698      6.29608512    -14.21773200
  H     16.47979365      7.24944717    -12.00054339
          69
 Ord_Energy   -247.963394    
 O   -1.95384061       2.47442627       1.83914840    
 H   -1.66619945       3.23076820       2.36609507    
 H   -2.88542604       2.34630585       2.04970884    
 O   -6.34259987       5.47353363       4.48651934    
 H   -6.87455893       4.78626728       4.06906271    
 H   -5.42341852       5.16842270       4.44039202    
 O    1.08722329       7.75516701       3.36489344    
 H    2.03995752       7.78984404       3.33440232    
 H   0.804150403       7.21971369       2.60328794    
 O   -1.01602709       6.99860430       5.10030794    
 H  -0.183518246       7.27410507       4.69824123    
 H   -1.70311439       7.55503750       4.69667864    
 O   -3.75886226       4.49595881       4.52301598    
 H   -3.48649669       4.79741907       5.39768267    
 H   -3.00892806       4.66965437       3.93589926    
 O  -0.851109743       9.65125179       2.25606370    
 H   -8.50998387E-02   9.21048164       2.63984036    
 H   -1.58731294       9.43044376       2.84352350    
 O   -6.44308710       7.68322849       2.79855967    
 H   -6.44951630       6.91108179       3.38574600    
 H   -6.23556232       8.43249130       3.36815786    
 O   -4.64709091       4.69164038      0.608233511    
 H   -4.21401978       4.61113453     -0.253675252    
 H   -5.55588770       5.00591040      0.495798349    
 O   -4.75756836       2.78323174       2.54552412    
 H   -4.43023729       3.22397900       3.34189439    
 H   -4.67592430       3.42758441       1.81989205    
 O   -1.38699114       4.93099260       3.18947411    
 H   -1.18261969       5.51177931       3.93292832    
 H  -0.964613795       5.34689045       2.42559147    
 O   -7.23811579       5.60471439      0.908374012    
 H   -7.47918749       4.90939808       1.53318286    
 H   -7.16319895       6.41595125       1.42499280    
 O   -2.90898061       8.49122524       3.81237125    
 H   -3.69071150       8.91394520       4.18632650    
 H   -3.21535635       7.93364429       3.08148074    
 O   -5.35971355       7.23574495       6.45474768    
 H   -4.51630783       6.82267380       6.67279863    
 H   -5.84629250       6.59141207       5.92206764    
 O   -5.36586809       9.41116047       4.83276701    
 H   -5.39152431       8.69101238       5.48886776    
 H   -5.66460896       10.2007809       5.27544308    
 O   -1.17920971       2.61922264     -0.770128608    
 H   -1.43988621       2.53357744      0.163288444    
 H   -1.00166309       1.73693585      -1.08558762    
 O   -1.47902358       6.75906897      -2.16965818    
 H   -1.62690663       7.33448076      -1.40080416    
 H   -1.47477353       7.32599020      -2.93694592    
 O   -3.96690130       7.13343000       1.65798497    
 H   -4.06943464       6.23089838       1.32676983    
 H   -4.84704399       7.41522169       1.94157529    
 O   0.433565587       4.94650173      -1.01037633    
 H   -3.07839401E-02   4.10059500     -0.962148070    
 H  -0.123384006       5.52663803      -1.54555821    
 O   -8.32234044E-03   6.35942316       1.26833332    
 H  -0.650788128       6.98690081      0.912688673    
 H   0.287821025       5.81433725      0.525322556    
 O   -2.83043551       5.85471630       6.82788372    
 H   -2.11433411       6.27997446       6.32709122    
 H   -2.45383239       5.56886101       7.65675926    
 O   -1.87359989       8.16179180      0.169488326    
 H   -2.68602014       7.84962606      0.593998313    
 H   -1.49586189       8.83791256      0.750557780    
 O   -7.43889475       3.44501448       2.85949183    
 H   -6.55116415       3.07507992       2.72016621    
 H   -8.04259396       2.70703745       2.88511419    
 O   -3.14994979       4.48297215      -1.65141273    
 H   -2.64316010       5.26161146      -1.91015804    
 H   -2.50113368       3.80032444      -1.43632662    
          69
 Energy    -247.96302000272038     
  O      0.15206409      2.66343453      2.33824029
  H      0.19050450      3.31629184      3.05490519
  H      0.64935468      2.09784460     -1.27742954
  O     -3.04020455      4.97355579      0.63231484
  H      1.02663771      2.28604727      2.19606911
  H     -1.44271382      4.69839276     -2.61944468
  O      4.10739857      5.98337845     -0.20923338
  H     -2.72164778      4.06703344      0.76466872
  H     -2.40161548      3.75943532     -3.40409886
  O      2.14369491      6.92111888      1.54145727
  H     -2.50570428      5.35697238     -0.08055073
  H     -0.08068209      8.39822582     -0.63343765
  O     -1.25292258      5.83917097     -1.24164311
  H      3.47085895      6.14459851     -0.93064258
  H     -0.15787479      9.14397144     -1.98933580
  O      0.63025945      4.73677863      0.44038158
  H      4.95111847      6.29987283     -0.52095633
  H     -3.96477888      0.64864600     -1.43139878
  O     -1.82379210      6.50652354      2.63878446
  H      2.89007966      6.74871856      0.95265121
  H     -3.87942719     -0.43590114     -2.53254294
  O     -1.09353652      1.72868487     -1.71569822
  H      2.40340909      6.62141085      2.42185769
  H      4.06331820      4.63382832      1.16728244
  O      0.14876297      4.81827151      3.96905090
  H     -0.56060224      5.44229416     -0.68958504
  H      3.59359028      3.27003898      1.73786940
  O     -2.09120286      2.38809772      0.81823570
  H     -0.94014356      6.71990176     -1.47981925
  H     -4.57039791      4.46800173     -0.22771135
  O     -0.17749127      8.32452104      1.10162100
  H      1.14462106      5.45313899      0.83018130
  H     -6.05430071      4.61408163     -0.62803200
  O      1.48413150      2.52850756     -1.04270836
  H      0.40581212      4.11738394      1.14611562
  H     -3.97141278      2.16213480     -3.01530731
  O     -1.46937258      3.98661019     -3.27562591
  H     -2.49174850      6.83830156      3.23599031
  H     -4.54298980      3.46425012     -2.42830317
  O      0.00007207      8.28914589     -1.59861575
  H     -2.29135557      5.96558036      1.98339898
  H      3.00681066      0.83006595      1.26487959
  O     -3.52783780      0.40967691     -2.26829081
  H     -1.19480744      2.50649134     -2.28581955
  H      2.30148448      1.90669925      0.40636473
  O      3.97896936      4.12045746      1.98067275
  H     -1.80704210      1.12519238     -1.95552350
  H      0.41162157      4.16201413     -3.54022283
  O     -5.28898632      4.05370388     -0.73136918
  H     -0.42588566      5.47461690      3.55772112
  H      1.57828290      3.55968194     -2.74145014
  O     -4.08094799      3.10397643     -3.19462535
  H      1.03418736      5.19733724      4.03215048
  H      3.31100396      5.04213933      3.29174880
  O      2.64561097      1.71231157      1.29543356
  H     -1.72272701      2.17292049     -0.05003623
  H      3.48014133      5.80835993      4.62818701
  O      1.35677381      4.25975326     -3.36595217
  H     -1.35768439      2.36947062      1.44814785
  H     -3.76174584      1.62143997      0.49870218
  O      2.87036660      5.65157963      3.91266387
  H     -0.80041572      7.78928365      1.60537552
  H     -5.00508692      2.21749197     -0.17571552
  O     -4.58261529      1.37871053      0.04635565
  H      0.69547250      7.95223220      1.29893855
  H      1.94883839      5.79341333     -2.61404470
  O      2.27601535      6.53560441     -2.08413560
  H      1.25084902      3.37853280     -0.63830074
  H      1.54985262      7.15946717     -1.98789381
          69
 Energy    -247.96286608783777     
  O     11.16415285      8.70993224     -8.66772596
  H     10.95968267      9.39527900     -9.32709414
  H     13.38288852     12.19579355    -13.67206122
  O     14.00483589      9.22510775    -16.59719978
  H     10.33016569      8.41366541     -8.31094194
  H     16.73731281     10.23063461     -9.13684718
  O     12.50742054      7.17203037    -10.68654185
  H     14.47208369      9.26120068    -17.42747840
  H     16.48625714      9.42551786    -10.41751535
  O     14.56314553      8.76753563    -13.88117136
  H     13.47121800     10.03798776    -16.54104548
  H     12.52234597     15.41803155    -11.78300630
  O     12.29415738     12.82936225     -7.23499349
  H     13.43226690      7.45023622    -10.67300971
  H     12.21298910     14.10535856    -11.03369559
  O     12.34641408     11.38238434    -16.36293930
  H     12.08437286      7.59767867     -9.93209445
  H     15.01810192      8.45903996    -12.03979309
  O     11.97354681      8.09527054    -13.21660367
  H     14.54851592      8.84806609    -14.84304653
  H     14.49503289      9.29729682    -10.84480095
  O     13.65243243     10.94106581    -10.63804720
  H     13.66413170      8.50220689    -13.63047936
  H     18.11750904     12.24374626    -12.13374539
  O     13.17838344     10.07461630     -7.18808102
  H     12.33208070     13.42255753     -6.48880500
  H     17.19949246     11.42021724    -11.19881787
  O     15.48285091     14.12778227    -10.75447906
  H     13.15152767     12.90103672     -7.69477228
  H     10.21982558     10.41335288    -14.16430606
  O     10.92732135     10.65053542    -10.57779061
  H     11.45264185     11.01817092    -16.33975382
  H     11.27207021     11.31406201    -13.47232242
  O     12.51846209     12.61167629    -13.81780252
  H     12.41501470     11.95600595    -15.58906800
  H     15.03744874     13.30444502     -9.27125329
  O     17.03878361     10.12748186    -10.04717817
  H     11.50684578      8.93754179    -13.14604560
  H     15.25220376     12.12599562     -8.23348679
  O     12.76481739     14.49606563    -11.73397603
  H     12.04602063      7.70856419    -12.33224967
  H     15.73617293     11.62088971    -12.83862257
  O     15.00251304      8.50321852    -11.07479819
  H     14.03802336     11.22635282    -11.47746516
  H     14.83274082     10.47666483    -13.42444002
  O     17.20701473     12.11393451    -11.88310296
  H     13.95438579     11.54702598     -9.95183769
  H     10.39168710      9.15528015    -16.02242767
  O     10.64455235     10.59296216    -13.31687725
  H     12.75867220     10.94011942     -7.11009458
  H      9.07850500      9.84338563    -16.46892677
  O     14.61616252     12.75458555     -8.59474617
  H     12.54429421      9.51683811     -7.65416480
  H     14.92631510     10.24784695     -7.38205456
  O     14.84349526     11.39872082    -13.12979909
  H     14.65242855     14.22396141    -11.23724776
  H     16.29121475     10.29263153     -6.66032199
  O      9.87368098      9.97841803    -15.96141956
  H     16.05807047     13.54030328    -11.25898115
  H     10.92500365     12.45954628    -10.08571615
  O     15.86159159     10.49993276     -7.48611687
  H     11.89552020     10.73383527    -10.60255597
  H     11.45373350     13.26029340     -8.89051971
  O     11.19559513     13.34685415     -9.81565548
  H     10.63415510     10.60482653    -11.49704039
  H     12.39679894      8.14581321    -16.28640662
  O     11.54314443      7.83655211    -15.96091500
  H     12.48635321     13.34746625    -13.19571272
  H     11.65556364      7.72102218    -15.00580906
          69
 Energy    -247.96282850736492     
  O     -8.43494366     -1.02772749      6.19197203
  H     -9.23850992     -0.49208505      6.20158593
  H     -6.44384651     -2.87730785     -0.48673366
  O    -10.32231630     -2.48013629      2.63600493
  H     -7.70224550     -0.40440326      6.19819144
  H     -4.42812857      0.55839858      1.77942253
  O     -8.46764694     -3.28199070      4.64897127
  H     -9.77002190     -2.86619660      3.32587348
  H     -3.04803222      1.11518739      2.22439395
  O     -5.47118242      0.41357015      0.25225732
  H    -10.48869665     -1.57142022      2.91983207
  H     -7.20634602     -0.56009422      3.08211209
  O     -6.28270640      1.01711345      5.65095392
  H     -8.45540142     -2.50137068      5.23090379
  H     -7.18747757      0.65650574      4.03678667
  O     -4.65133863      4.93647591      0.48847535
  H     -8.46232876     -4.04699790      5.21823922
  H     -0.76878477      2.22509067      1.59554759
  O    -10.43131593      0.97846569      0.61209298
  H     -5.75943512     -0.50031475      0.14269769
  H     -2.04277621      3.01736419      1.98046477
  O    -10.65464747      0.78115996      6.01530873
  H     -6.27508394      0.93880713      0.37467039
  H     -8.27227271      5.63772865      4.52009798
  O     -4.65274884     -0.93877686      4.67717660
  H     -5.84573915      1.78286083      5.24825141
  H     -7.82713885      4.56514536      3.51733802
  O     -3.75749260      2.55685201     -0.46774850
  H     -5.68622671      0.26960405      5.48024174
  H     -7.16457576     -2.74673437      3.42390645
  O    -10.36063378      0.28586450      3.27868254
  H     -4.36782847      4.09935168      0.07846570
  H     -6.51378851     -2.39060747      2.03200244
  O     -6.59758127     -2.19501402      0.16111952
  H     -4.56483433      5.61230135     -0.17839473
  H     -9.62075033     -2.05634535      1.02715376
  O     -3.87284389      0.73526916      2.55081966
  H    -11.28098789      1.27815521      0.29973592
  H     -9.62722505     -0.76676162      0.18779620
  O     -7.57993087      0.32001121      3.22362058
  H    -10.53300286      0.78784662      1.56062864
  H     -8.57113828      3.32333502      5.47609271
  O     -1.71845112      2.22478570      1.51611195
  H     -9.99204617      1.49660150      6.06207912
  H     -7.80355468      2.11972390      6.08327783
  O     -8.33992080      4.70516124      4.32760291
  H    -11.31286842      0.96886153      6.67809683
  H     -3.57638549      3.95009670      3.34588040
  O     -6.47856839     -2.22927117      2.98225149
  H     -4.21370004     -0.40291976      4.00191782
  H     -3.48082785      4.70382865      2.00805735
  O     -9.21598608     -1.63398334      0.25384403
  H     -5.20524350     -1.55061192      4.17265281
  H     -4.65723845      2.10210777      3.47595163
  O     -8.65999148      2.56075773      6.06516742
  H     -2.96798558      2.38354492      0.06050132
  H     -5.67393804      3.27587453      3.38911104
  O     -2.94665797      4.33640629      2.72375883
  H     -4.32124695      1.77856457     -0.36985262
  H     -8.67401097      1.65768019      0.67007072
  O     -5.04300796      2.83806324      3.97582149
  H     -9.39136703      0.27066897      3.30158012
  H     -7.66634776      1.29758244      1.78430784
  O     -7.76804480      1.80764655      0.96267215
  H    -10.64207974      0.48940421      4.17821551
  H     -7.16747447      3.35680047      1.64332416
  O     -6.76371873      4.09404153      2.12369596
  H     -7.55109507     -1.99014022      0.13409556
  H     -6.09729485      4.48027547      1.54205989
          69
 Energy    -247.96267201047340     
  O     12.58657595      9.93089064    -15.36810278
  H     12.22786981      9.42327098    -14.63165511
  H     17.56591525      6.28696235    -13.00116842
  O     14.80732754      4.57999754    -12.61779554
  H     12.94640389     10.74165226    -14.98753285
  H     21.23587078      7.30442914    -14.62386911
  O     17.86753463     10.10192250    -12.03935689
  H     14.58701190      3.69699712    -12.33612880
  H     19.74738218      7.24582360    -15.04253606
  O     18.07380306     10.88328898    -16.79256729
  H     14.68030799      5.16624624    -11.84737987
  H     14.96153431     11.11843107    -17.17105541
  O     13.29820633      6.45698172    -14.17639215
  H     17.86435019     10.30682183    -11.09676811
  H     16.35544852     11.61583052    -16.73303743
  O     15.14777943      9.42453784     -8.84850956
  H     16.95249658     10.17723185    -12.34891881
  H     15.95746167      8.19720320    -15.49814795
  O     14.48700740      6.29629071    -10.60565882
  H     18.74781985     11.26215082    -17.35069655
  H     16.11786128      7.28717577    -14.25428777
  O     15.30427250     10.16159942    -12.97725166
  H     18.49416033     10.70133190    -15.93279543
  H     12.18640014      7.58860370    -13.50365986
  O     16.66432167      8.47096079    -17.15494305
  H     13.70907723      5.72005040    -13.71036689
  H     10.76022637      8.02873482    -13.09200521
  O     16.00501664      6.75417111     -8.27762892
  H     14.02844334      7.02540757    -14.45906476
  H     18.57117244      7.39262892    -10.24498334
  O     18.48083720      6.54985650    -16.01566775
  H     15.32431850      8.52776891     -8.53660491
  H     18.28573106      8.53454723     -9.24723667
  O     17.05184527      5.85369352    -13.69715466
  H     14.51381242      9.33505048     -9.57186659
  H     18.82709937     10.33276043    -13.60440007
  O     20.37130486      7.64272958    -14.40805975
  H     14.99242992      6.37082844     -9.78778831
  H     19.72931271      9.41979804    -14.46069421
  O     15.41919236     11.85200263    -16.74149591
  H     14.17539802      7.18507724    -10.81880215
  H     19.39650811      7.43902418    -12.79180468
  O     15.59254677      8.00996347    -14.62505572
  H     14.90037036     10.91152728    -13.42930714
  H     18.36006420      8.34853150    -12.09855272
  O     11.66121384      8.33400068    -13.15698760
  H     15.36524452      9.42622885    -13.60784005
  H     17.86249272     11.04594826     -8.62620789
  O     18.36811674      7.57520977     -9.31811311
  H     15.78081387      8.72874277    -17.45028137
  H     16.73246193     10.10642718     -9.11091985
  O     19.26308597     10.26469290    -14.46392074
  H     17.18726970      9.28249133    -17.09501522
  H     13.46529605      9.34342021    -18.34240143
  O     18.70612692      7.44354514    -12.11706669
  H     16.88566826      6.96858070     -8.63462063
  H     13.51641192      9.54490812    -16.81304320
  O     17.65955669     10.36553173     -9.26205490
  H     16.14567750      6.28237179     -7.46168409
  H     12.83319167      8.77361373    -11.72238233
  O     14.06616106      9.47845896    -17.61416286
  H     17.95204960      6.14341032    -15.31402541
  H     14.24154579      9.39032163    -11.75183941
  O     13.61399593      8.92691003    -11.17761001
  H     17.87913706      7.10360668    -16.52749854
  H     13.83065198     13.10441617    -14.28039267
  O     14.06070064     12.19321767    -14.43764331
  H     16.35924545      5.31966774    -13.28908014
  H     14.57844125     12.16777167    -15.26302656
          69
 Ord_Energy   -247.962662    
 O    7.35410601E-02  -3.11498380       1.94136822    
 H   0.417683750      -2.45266700       2.55340028    
 H   0.510566413      -2.97063994       1.09212708    
 O   0.819158673      0.819676340       1.48269391    
 H   0.832093298       1.74482250       1.75982225    
 H   -7.59588107E-02  0.667713106       1.14323771    
 O   -2.07042503       2.59591913       3.61359525    
 H   -1.93820584       1.64863002       3.74425817    
 H   -1.80728161       3.02221775       4.44420671    
 O   -4.74897480       1.01790571      -1.38451254    
 H   -5.55506516       1.08728898      -1.88931358    
 H   -5.00993395      0.809793830     -0.469280720    
 O  -0.885654628      0.643768370       6.77067566    
 H   -1.35525739      0.205944777       7.47615099    
 H   -1.28925049      0.343026847       5.93799448    
 O   -1.06426680       3.45480824       5.99890041    
 H  -0.160665393       3.58850217       5.67133284    
 H   -1.04903674       2.60773444       6.45720720    
 O   0.283443689       3.41997981       2.21019006    
 H    9.98579934E-02   3.63090992       1.28218710    
 H  -0.563799560       3.21005821       2.62568212    
 O   0.864612937     -0.934129417       3.54913592    
 H   0.950971007     -0.325146049       2.79743195    
 H    1.31371868     -0.517941833       4.29394960    
 O   -1.70596313     -0.130442306       4.27189159    
 H  -0.842399061     -0.464694202       3.98986459    
 H   -2.36600113     -0.519014478       3.68313956    
 O   -1.76150894      -2.55344391      -1.22251749    
 H   -2.14496303      -2.92723608     -0.421271682    
 H  -0.805518270      -2.65847707      -1.12745261    
 O   -1.77659750      0.587758660      0.566513121    
 H   -1.81522596      0.218310177     -0.324716419    
 H   -2.14773393       1.47590160      0.492304355    
 O   -2.22616553      -4.67340089E-02  -2.13215017    
 H   -3.13976860      0.223871738      -1.97746074    
 H   -2.14274812     -0.993660212      -1.93381882    
 O    1.72965097      0.619302452       5.74562502    
 H    2.40394425      0.572529256       6.42020512    
 H   0.876757860      0.648630679       6.20694637    
 O    1.44214630       3.40633965       4.79631233    
 H    1.66042554       2.48092675       4.94824314    
 H    1.20635295       3.48569894       3.86158943    
 O   -6.76480904E-02   1.62114918      -2.50911999    
 H    1.96089409E-02   1.89002120      -3.42072749    
 H  -0.849897444       1.04612398      -2.46323156    
 O    1.63845193      -9.49029997E-02  -1.00866413    
 H    1.15941644      0.500879645      -1.59644544    
 H    1.53515947      0.274662763     -0.120535009    
 O   -3.15469480       3.00213885      -8.10476616E-02
 H   -3.72068167       2.46032310     -0.644589305    
 H   -3.65219784       3.17892480      0.727994204    
 O   -4.44980907       3.11801195       2.40630722    
 H   -4.91085291       3.80735421       2.87721634    
 H   -3.61832833       2.95894909       2.88632488    
 O    1.03146327      -2.70548677     -0.709789097    
 H    1.69398379      -3.23969769      -1.13981164    
 H    1.28827596      -1.77675712     -0.849862158    
 O   -2.51887202      -3.55705547       1.36892831    
 H   -2.75779414      -4.45826912       1.56666541    
 H   -1.58653891      -3.44618130       1.63446379    
 O   -3.30167222      -1.02473724       2.21170878    
 H   -2.74685955     -0.480336905       1.63025939    
 H   -3.14926243      -1.94391298       1.95799744    
 O  -0.458071828       3.65235209     -0.441721469    
 H   -1.42272341       3.60372543     -0.390745550    
 H  -0.210245073       3.02066970      -1.12581289    
 O   -5.33370733      0.639423907       1.24377501    
 H   -5.15916586       1.46087015       1.71920514    
 H   -4.76748371      -2.91875005E-02   1.65298367    
          69
 Energy    -247.96237871524485     
  O     14.11285475      9.35913655    -11.48206356
  H     14.87901362      9.23781864    -10.90173985
  H     11.74713582      5.17193432     -9.91465265
  O     17.24501404      4.94271990    -11.78148225
  H     13.39063078      9.65619274    -10.91166182
  H     15.23537370      7.24124807     -5.70546362
  O     14.53115719      4.71900681    -11.25180052
  H     17.60413365      5.75790604    -11.40484955
  H     16.76088990      6.95631637     -5.79449945
  O     18.12816004      8.35221161    -13.66774234
  H     17.16884944      5.09665633    -12.73456095
  H     13.45438241      7.74286903    -11.98746049
  O     17.64434404      3.09792145     -9.76547943
  H     14.08375809      5.43707419    -11.72171783
  H     12.42879932      6.63318807    -11.60729274
  O     15.56497111      9.20980086    -13.87768376
  H     15.46517864      4.72875406    -11.50008322
  H     18.34984490      7.77080044    -11.89544158
  O     17.22757937      9.58373363     -7.32274615
  H     18.69921054      8.89702083    -14.20271824
  H     17.51321915      7.97089952    -10.61449239
  O     16.41583861      4.32312483     -7.63157525
  H     17.23669183      8.74156314    -13.72437626
  H     17.40480117      6.65106134    -14.23533789
  O     16.16026383      8.78281249     -9.75471858
  H     17.56910407      3.68748950    -10.53252494
  H     16.00852428      6.08406023    -14.55472501
  O     15.15629259      6.35171217     -9.07820427
  H     18.19823417      2.37339362    -10.04423762
  H     13.06084325      6.28966426     -4.76087805
  O     12.84840870      7.55400743     -8.09631602
  H     15.04620757      9.42111730    -13.08971734
  H     13.55036959      5.56081960     -6.03370432
  O     11.52382179      6.08312012    -10.14016660
  H     15.09485844      8.48956518    -14.31509840
  H     12.47279592      2.65639294     -9.83404234
  O     16.09989982      7.65952119     -5.78781872
  H     17.34223925     10.38832043     -6.82521014
  H     13.40822779      3.83687395    -10.17133861
  O     13.10649182      6.87968299    -12.25372095
  H     16.76491361      8.95424583     -6.74006197
  H     11.21735728      9.86709367     -9.57882562
  O     18.23300120      7.44485644    -10.99405406
  H     16.85231180      3.83092792     -8.34215878
  H     12.39689045      9.09015108     -8.97633019
  O     16.91477898      5.82614762    -14.34653547
  H     17.10411696      4.73686586     -7.09630115
  H     19.02159170      5.63689450     -5.66468765
  O     13.50110967      6.42970876     -5.59484141
  H     16.47408840      9.22334639     -8.95586309
  H     18.60562761      6.37439860     -6.96035868
  O     12.72125997      3.53405477     -9.55348943
  H     15.82106402      7.91597646     -9.47789278
  H     13.31650004      3.87881374     -7.75315952
  O     12.17064654      9.81842241     -9.57629089
  H     15.61352797      5.73930237     -8.48833169
  H     14.69822518      4.02184099     -7.08962001
  O     18.27375826      5.83003923     -6.22313077
  H     14.89883646      5.83355319     -9.85054158
  H     18.53375775      8.29683543     -7.97831187
  O     13.74734965      4.07656060     -6.91380042
  H     12.87605041      7.31369195     -7.16371399
  H     18.90647564      7.40609114     -9.18487867
  O     19.00827344      7.49415671     -8.22944613
  H     13.65317360      7.16583527     -8.47068832
  H     13.74410238      6.79147810    -13.91600320
  O     14.23662225      6.82190521    -14.75333051
  H     11.82483398      6.61145960     -9.38947350
  H     13.60316991      6.66063309    -15.44816541
          69
 Energy    -247.96230887625273     
  O     12.22995887     11.77487111    -15.10410236
  H     12.93943578     11.99201839    -14.49334025
  H     15.29937643      6.71488255    -18.62274845
  O     15.79622237      7.36471761    -13.43409924
  H     11.65303543     11.18572430    -14.59389124
  H     18.86972574     10.54282176    -12.82589188
  O     16.26745928     11.44455756    -11.06169795
  H     15.45669610      8.14329847    -13.90140548
  H     18.36328967      9.14986843    -12.38789503
  O     16.55508715     12.80168991    -14.28890991
  H     16.23349404      7.70556337    -12.64336220
  H     17.65532703     10.24241438    -16.13962867
  O     12.97861093      8.40885171    -16.61598004
  H     15.61357947     11.51076046    -11.77270875
  H     16.47771695     10.70640590    -17.07442246
  O     12.69323999     10.20972029    -11.07088983
  H     17.08341352     11.84041288    -11.39088103
  H     14.18736724      9.22408126    -15.41821401
  O     13.30105636      6.32559924    -12.71719031
  H     16.69401691     12.19848904    -15.03485115
  H     15.57826655      9.93826154    -15.33840018
  O     14.27243664     11.49161468    -13.01298139
  H     15.69406483     12.58001002    -13.91979453
  H     11.10815207      9.08527630    -13.69927562
  O     16.94438475      7.01653660    -15.97520120
  H     13.67415629      7.97007111    -17.12479615
  H     11.41440767     10.07064540    -12.54704737
  O     12.71373130      7.48747135    -10.37643658
  H     12.77000071      9.24378189    -17.05707002
  H     14.97086445      9.10600977     -8.91828265
  O     18.95535665      9.00029790    -15.67039841
  H     13.14151839     10.59325164    -10.30704745
  H     14.36659514      7.83090144     -9.51097993
  O     15.18014237      7.40702302    -17.97820444
  H     12.67837269      9.25815523    -10.89568524
  H     11.96962355      7.73092298    -15.34600533
  O     18.91200794      9.60298512    -13.04012790
  H     12.69091272      6.63957176    -13.39564517
  H     10.72349241      6.91490324    -14.93546079
  O     16.89675194     10.83488771    -16.21026252
  H     14.19239936      6.57552039    -12.99746834
  H     17.85872537     12.60573257    -13.16149006
  O     14.86230534      9.55268944    -14.81423320
  H     13.64718893     11.11970809    -12.37552792
  H     19.10953924     13.11001397    -12.39770569
  O     10.97687556      9.99400264    -13.40307546
  H     14.47219077     10.77530044    -13.63826691
  H     16.71630182      9.62556285    -11.22997865
  O     15.18293265      8.19225289     -9.14235037
  H     17.69513377      7.62017759    -15.91902508
  H     16.44579301      8.33000584    -10.46968593
  O     11.45975835      7.40988846    -14.58332181
  H     16.59694530      6.94836424    -15.07583952
  H     15.19865254     11.24206307     -9.64536476
  O     18.49770804     12.38195744    -12.45981851
  H     12.92974838      7.01067338    -11.19780711
  H     14.55084205     11.66525110     -8.30758628
  O     16.92328449      8.68203946    -11.23416219
  H     12.02987568      6.98774376     -9.93891535
  H     15.33733980      9.28279673    -18.38365803
  O     14.49526916     11.02311027     -9.01065568
  H     18.96685846      9.17695411    -14.71187632
  H     14.49504389     10.56960154    -18.21824575
  O     15.38645385     10.24693990    -18.40043984
  H     19.86482521      8.93028380    -15.94761297
  H     12.53802383     11.33262481    -16.74857736
  O     12.69353151     10.97423352    -17.64159827
  H     15.82587181      7.24126049    -17.26725270
  H     12.10176939     11.43862963    -18.22750138
          69
 Energy    -247.96223680622347     
  O     12.49737241     14.18507018    -12.90561613
  H     12.86878388     13.94395131    -13.76718420
  H     15.29095621     12.96740364    -18.44799647
  O     15.69582536     10.10483023    -17.21191300
  H     11.70168198     14.68171169    -13.08588941
  H     18.02700935     13.26384774    -12.67083415
  O     15.25869144      8.65760664    -11.37393702
  H     15.02660548      9.48993450    -16.88807116
  H     18.14727908     11.97837531    -11.83441470
  O     13.96944260      8.49525629    -15.66229560
  H     16.45664925      9.99312150    -16.62503056
  H     13.44692761     12.47512224    -10.26676670
  O     14.43286308      5.98403914    -11.01539538
  H     15.07670641      7.74950992    -11.10202739
  H     12.52485444     12.87683337    -11.43726258
  O     14.86002342      5.41737829    -13.64418074
  H     14.39605741      9.07354030    -11.52419951
  H     16.96351430     10.45530609    -14.60348880
  O     15.83219465     11.31593585    -13.53974502
  H     14.72857898      8.28561334    -15.09779522
  H     18.40334802     10.45328669    -15.15229217
  O     12.77634035      9.79354496    -11.88966513
  H     13.32997046      7.78887490    -15.51004127
  H     12.17173944      6.64828767    -13.84968516
  O     16.12305347      7.89359297    -13.97755893
  H     14.61906193      5.67782677    -11.92124441
  H     11.61097956      5.87617238    -15.06728884
  O     19.59629245     11.86910398    -14.90167048
  H     14.58706796      5.24289607    -10.43628046
  H     15.32059543     13.36050052     -8.79438822
  O     13.21446849     10.82946302    -14.38984139
  H     14.03971834      5.58310533    -14.12418598
  H     15.16655294     13.70409863    -10.29568378
  O     15.38897340     12.76073767    -17.52203292
  H     15.44081972      6.16182656    -13.85749772
  H     16.92310093     14.08256522    -14.57134966
  O     18.64303959     12.56788126    -12.41745400
  H     16.05118608     11.15279009    -12.61219830
  H     16.23515947     13.01812094    -13.66914929
  O     12.62108182     12.24921477    -10.71132723
  H     14.90716793     11.09525999    -13.69556466
  H     16.30376435     10.11819011    -10.90310317
  O     17.58494321      9.94493670    -15.14841822
  H     12.80799665     10.11557651    -12.80155552
  H     16.19376127     11.60319206    -10.41359746
  O     12.36556287      6.37371547    -14.76437268
  H     12.63443556     10.57915724    -11.34329568
  H     14.73160366     13.76033495    -14.70450522
  O     15.19908344     12.96991223     -9.65614461
  H     15.91344249      8.22911673    -13.09544048
  H     14.31373009     13.29325195    -16.09695163
  O     16.40981730     13.97024242    -13.75734888
  H     16.80251054      8.46444654    -14.35862729
  H     12.72837502      6.68597596    -11.65285157
  O     16.71499772     10.99282239    -10.95336450
  H     19.34282526     12.08850502    -13.98801755
  H     12.14804571      8.06514648    -12.01848370
  O     13.96192210     13.47663781    -15.21530002
  H     20.54662038     11.93641036    -14.94478317
  H     14.06134920     14.79513205    -11.94985433
  O     12.03947537      7.11626676    -12.17281175
  H     13.35565665     11.66189792    -14.85365295
  H     15.55048573     14.70517320    -12.31594492
  O     14.94799075     14.86483650    -11.57599917
  H     13.41609059     10.08925435    -14.98123251
  H     18.38541005     13.07612896    -15.89280611
  O     17.74183755     13.76057827    -16.11309795
  H     15.47507380     11.79243659    -17.45868733
  H     17.06537808     13.35769017    -16.67065408
          69
 Energy    -247.96220522732892     
  O     10.20813562      8.40047448    -11.02415807
  H     10.63236083      7.56238154    -10.76529112
  H     15.48513589     11.62276598    -13.45272990
  O     14.17770135      7.29714788    -15.55726889
  H      9.57403891      8.61247984    -10.34519718
  H     16.54173775      9.10944415    -14.38359165
  O     17.29723756     10.36754579    -10.44774188
  H     14.79833840      7.75942148    -14.96969526
  H     16.58302277      7.68063846    -13.79725964
  O     17.71147558     10.34943896    -15.09363334
  H     14.62907659      7.21455048    -16.40488142
  H     12.50433368      6.30290328    -10.63814257
  O     12.28238328      9.15885193    -14.78589737
  H     17.30116317     11.07363413     -9.80706801
  H     11.37087735      5.58078775    -11.39067045
  O     13.80485929      5.38618572    -13.60356136
  H     16.49081825     10.47673440    -10.98216294
  H     18.35635802      7.13614091    -11.23086393
  O     15.16865494     10.36363237    -12.10317565
  H     17.11399256     11.07788990    -14.85881417
  H     19.83157321      6.67120925    -11.13856114
  O     15.68693190     10.18016299    -17.21747711
  H     18.27569470     10.19523975    -14.31873105
  H     10.42740137      4.39227889    -13.52035550
  O     16.24046018      4.09001458    -13.50921501
  H     12.85679974      8.45742685    -15.12566521
  H     10.71104059      5.91323128    -13.48429178
  O     15.87233651      7.39848355    -17.80162376
  H     12.58851165      9.97459246    -15.20127888
  H     19.19890982      8.83729648    -12.48333891
  O     18.15125682      7.73607436    -16.37701006
  H     13.88945536      5.97997283    -14.36359494
  H     18.49693598     10.08158785    -11.94721740
  O     15.70724023     12.05117712    -14.29038049
  H     12.86829637      5.17358528    -13.50860007
  H     18.36678003      6.45614013    -13.25251317
  O     16.01385664      8.45452655    -13.90680379
  H     14.23374676     10.18551152    -11.93858106
  H     17.31030453      5.47996378    -13.86272674
  O     11.56497789      6.08276385    -10.58897203
  H     15.47871676      9.63849194    -12.66923254
  H     16.93562269      8.47621188    -10.31065940
  O     19.18224981      7.02708626    -11.73829832
  H     16.47420039     10.28615197    -16.67188333
  H     15.94788106      7.33780834    -10.68801727
  O     11.05649072      5.04191564    -13.21865269
  H     15.69967305      9.26793247    -17.53153135
  H     13.16295467     12.00351238    -16.65618738
  O     18.97301297      9.74519080    -12.71641731
  H     16.21682691      3.35838836    -12.89748464
  H     14.25775605     10.91829882    -16.53959269
  O     17.78245668      6.31171313    -14.00816406
  H     15.33911628      4.44901030    -13.53321596
  H     13.71332756      7.83355360    -11.54726725
  O     16.86374604      7.52317915    -10.44547610
  H     16.72902400      7.44799363    -17.33899672
  H     14.14792406      6.45292705    -12.09426099
  O     13.52389930     11.34821219    -16.06394338
  H     16.02974296      6.94516500    -18.62507016
  H     11.80617638      9.15999817    -11.60975726
  O     14.17469422      7.01788121    -11.31010906
  H     18.11767473      7.16545593    -15.59461385
  H     12.52096351      9.29877580    -12.98241415
  O     12.65766266      9.33855479    -12.02453495
  H     18.24103317      8.63646061    -16.04755483
  H     10.03649414      7.92953007    -12.89146519
  O     10.17724293      7.55097526    -13.76848221
  H     14.92439049     11.94999323    -14.84404853
  H     10.78240376      8.14805685    -14.22739047
          69
 Energy    -247.96205768725741     
  O     -1.00317138      3.82734309     -2.52286505
  H     -1.03499212      3.44633388     -1.63171092
  H     -1.80161416      1.37632324      3.26838916
  O      2.58334907      1.76648961      5.18685675
  H     -1.12988910      4.77635389     -2.41315467
  H      1.32236961      5.40112027     -0.16674339
  O     -1.17105779      2.79467395      0.08710618
  H      2.27158965      0.91461208      4.83496239
  H      0.48585759      5.88302253      1.05050286
  O      0.38680194      0.20289899     -1.76281701
  H      2.98636070      1.57348085      6.02841304
  H     -3.72944685      2.39253409     -2.78053673
  O     -0.52986002     -0.51952639      0.90587573
  H     -1.90381155      2.16653377      0.08952510
  H     -2.28791199      2.71256050     -3.20099949
  O      0.99079794      3.13890350      3.44711101
  H     -1.46932487      3.53282218      0.63433677
  H     -2.05867316     -1.00517720     -0.03978955
  O      1.49461362      2.61480165     -2.59910823
  H     -0.34280384     -0.04827477     -2.34403430
  H     -2.61421091     -0.90935596     -1.48105712
  O     -3.65517069      5.35215733     -0.50798183
  H      0.05599367      0.05800007     -0.86965942
  H     -2.72909855      3.90698312      2.40443887
  O      1.48652711     -0.42481269      3.96547990
  H      0.40436227     -0.73357590      1.01343974
  H     -1.63118871      5.02496577      2.33566941
  O      2.65131212      4.17814917     -0.76546177
  H     -0.75294250      0.02915110      1.66986171
  H     -4.23658037      2.06325210      3.46662798
  O     -1.34363742      6.50364343     -1.71446628
  H      1.59126639      2.75915029      4.10486414
  H     -3.58200745      1.91376756      2.07037264
  O     -0.90443345      1.02392520      3.24473023
  H      1.27604475      2.83792094      2.57123763
  H     -2.37802478      0.45968532     -3.28859535
  O      0.60080992      5.98435477      0.09931905
  H      1.22116823      1.72892422     -2.31936814
  H     -2.11563086     -0.86927935     -4.03429318
  O     -3.00390703      2.07452690     -3.32934481
  H      0.67062275      3.08795268     -2.77871676
  H     -4.14223575      1.94374495     -0.24409204
  O     -2.87785032     -0.98004199     -0.55490128
  H     -2.95372330      5.81847159     -0.97796411
  H     -3.49045847      0.54302507      0.05443305
  O     -2.37868645      4.63066946      1.86953351
  H     -3.30747100      5.18876526      0.37956329
  H     -4.46201206      3.95613779     -1.15128023
  O     -3.43895721      2.24436863      2.97647470
  H      1.86499930     -0.52418470      3.08244631
  H     -5.79643887      3.33107080     -1.62248415
  O     -1.98380170     -0.42675078     -3.20045781
  H      0.57636676     -0.13241007      3.82967474
  H      0.55524562      2.35491994      0.56393218
  O     -3.64510482      1.43282164      0.40625068
  H      2.28916919      3.63301148     -1.49034250
  H      1.98975896      2.91455177      0.36567021
  O     -4.88106513      3.12852281     -1.44933409
  H      3.54150049      4.41198824     -1.01209163
  H      2.04392608      0.58182459      1.06573004
  O      1.46793820      2.28743463      0.88192538
  H     -1.18291700      7.35275992     -2.11657340
  H      2.75693050     -0.64106408      0.45198072
  O      2.26343120     -0.35320447      1.21684150
  H     -0.64551992      6.37131953     -1.04758132
  H      0.26713901      6.22956678      3.58735327
  O      0.03521537      5.60272811      2.90725109
  H     -0.31656791      1.78156395      3.36596397
  H      0.40551687      4.74318829      3.17539714
          69
 Energy    -247.96203745992608     
  O      0.11683228      3.45920384     -1.49135858
  H      0.54204355      2.59947905     -1.36219762
  H      1.57060857      4.60857688      4.85827663
  O      1.65063748      5.26553654      0.10188965
  H      0.67113145      4.10460837     -1.03810799
  H     -3.17840012      1.20721860      3.20453145
  O      3.68763487      0.65202332      2.79413286
  H      2.38562350      4.91738249      0.64002167
  H     -1.97039006      0.32772297      2.77899143
  O      1.17387460      1.59855190      1.90037328
  H      1.86772700      6.17168297     -0.10017278
  H      0.17337904      0.41874897      2.75420853
  O     -2.53327824      3.11156266     -1.19089556
  H      4.31946075      1.15715172      2.26689851
  H     -0.10962789     -0.13296504      4.17414276
  O     -2.48525433      3.37277219      1.57113094
  H      3.61115145     -0.21721085      2.37916472
  H      2.44683218     -1.87574154      1.33798627
  O      1.19254921      0.98977278     -0.80053664
  H      2.05902626      1.43752007      2.24993983
  H      3.81425144     -2.58507376      1.46264638
  O     -2.68637790      0.36006018     -0.33590032
  H      0.92285164      2.51514908      2.07257737
  H      3.24970702      1.14022973      4.48520798
  O      3.57663608      4.27771781      1.70754838
  H     -2.99008510      3.47855855     -1.94238622
  H      2.08366019      1.19646887      5.50310117
  O      5.21139646      2.09372898      0.92273453
  H     -1.58084260      3.25837683     -1.33981192
  H     -3.20444397      3.37385917      3.29216896
  O     -0.58358829     -1.19241197     -1.00078091
  H     -2.60047082      3.42907855      0.61421231
  H     -4.26633751      3.46924178      4.40516701
  O      0.61143411      4.69151452      4.82973777
  H     -2.46727401      2.42649572      1.77971897
  H      0.22736567      0.03540062      6.70971796
  O     -2.78878575      0.73785140      2.45990027
  H      1.15792625      1.18494489      0.14885203
  H     -0.16909527      1.26066269      5.84951772
  O     -0.34006072     -0.24389131      3.24339355
  H      0.62108409      0.22742336     -0.95219466
  H     -0.48950504      3.44263070      5.49567280
  O      3.41022263     -1.73120818      1.33478197
  H     -2.68897847      1.26644095     -0.66596536
  H     -1.89789255      2.83432721      5.26045022
  O      2.93451674      1.59111586      5.28182780
  H     -2.85881833      0.40415132      0.61385357
  H      2.99471638      0.58519743     -0.84078215
  O     -3.47178093      3.00624407      4.14947391
  H      4.17577629      3.57452846      1.43042476
  H      3.79455809     -0.47608185     -0.06940573
  O      0.36508189      0.44375914      5.85943406
  H      3.53432053      4.25505678      2.67185721
  H     -0.80746404      3.97078760      1.91010957
  O     -1.06750717      2.69893893      5.72685268
  H      4.77540184      1.50355526      0.28118931
  H      0.52345443      4.64557309      1.43548181
  O      3.89559658      0.30801525     -0.62347795
  H      6.13290585      2.12972837      0.68160518
  H      0.24763281     -1.83384820      0.56471410
  O      0.10441270      4.16748718      2.16122658
  H     -0.81803152     -1.74500574     -1.74148222
  H      0.29900380     -1.55326932      2.08464939
  O      0.73214000     -2.04270076      1.37267645
  H     -1.37607969     -0.67247657     -0.77642955
  H      4.07432001      4.51755655      5.15418799
  O      3.42773541      4.14914635      4.55740110
  H      0.38716172      4.59555044      3.89251253
  H      3.25468301      3.24108227      4.86488959
          69
 Energy    -247.96193850063202     
  O     13.19506775     11.51121655    -14.56537403
  H     14.01804013     11.31645105    -15.03064809
  H     15.85254278      5.33207751    -14.88575345
  O     14.52353494      6.18932656    -17.55092911
  H     13.37552235     11.34267209    -13.63127857
  H     15.49171132      7.13439025     -9.71036889
  O     13.67773786      5.96063589    -11.93821236
  H     14.27142998      7.12886971    -17.49453183
  H     15.07372711      6.17275278    -10.84989775
  O     17.95468670      4.72540135    -10.36748919
  H     14.38221933      5.92042304    -18.45451423
  H     13.96599584      9.01932327    -12.93888216
  O     12.75686790      5.13383192    -15.47398731
  H     12.75826746      6.00456731    -11.65851444
  H     14.89010159      8.24965156    -13.91660792
  O     13.81959997      8.76619469    -17.25200624
  H     13.80842374      6.72770149    -12.52076554
  H     16.29207804     11.14606272    -16.32837570
  O     14.73375648      8.61334707     -9.02293490
  H     18.15883395      4.38669784     -9.49955295
  H     16.03083081      9.89032877    -15.46812262
  O     19.35829134      6.38924124    -12.23518021
  H     17.18603407      5.31208131    -10.26520626
  H     10.93270210      6.75592580    -12.41619993
  O     11.99536410      9.07015288    -15.14713947
  H     13.24584591      5.47368788    -16.23103857
  H     10.28737112      6.20001657    -11.12564178
  O     17.26086637      3.34331009    -12.77040275
  H     13.41284832      4.67510916    -14.93409448
  H     15.63900604      3.82684786    -13.39550278
  O     18.81661064      4.91356481    -14.63024953
  H     14.43758312      9.44536677    -16.95971553
  H     14.44389469      4.77622118    -13.07525706
  O     16.37726426      5.85538178    -15.51097982
  H     13.05517191      8.84603959    -16.66514855
  H     11.48839225      6.10661131    -14.58891571
  O     15.82571209      6.45061216    -10.30818361
  H     13.83177043      8.71118110     -9.35135630
  H     11.02581350      7.57775868    -14.55266841
  O     14.05394609      8.19641698    -13.43928046
  H     15.24661879      9.32044441     -9.43344362
  H     11.73941499      8.23100276    -10.66800482
  O     15.59640268     10.61074785    -15.95416818
  H     19.03628831      5.77641368    -11.56100176
  H     11.40764073      9.40295680     -9.72503948
  O     11.00720723      6.73869993    -11.44275007
  H     19.27721880      5.92186096    -13.07605670
  H     16.92990859      8.40209822    -13.66063671
  O     14.88697514      4.29416063    -13.78684839
  H     12.65461170      8.60967438    -14.60528950
  H     16.60272406      7.55953546    -14.93637919
  O     10.91024490      6.72401054    -14.11652919
  H     12.18319253     10.00943794    -15.01236076
  H     13.15844570     10.11435527    -11.33423276
  O     12.11758455      9.00798362    -10.22760674
  H     17.49510585      3.70512273    -11.90687055
  H     14.62989916     10.60243376    -11.49950180
  O     16.59367982      8.45340547    -14.56596790
  H     17.88447054      3.73549109    -13.39351584
  H     16.75564715      9.69505165    -11.12560376
  O     13.77749547     10.53019121    -11.94844875
  H     19.37255851      4.61034218    -15.34391821
  H     16.93854150     11.05758121    -10.41827273
  O     16.28308121     10.41166044    -10.66956429
  H     18.00362784      5.25595608    -15.03683732
  H     16.76659652      7.60584877    -11.40877449
  O     17.35624272      8.19739486    -11.89648445
  H     15.83694069      5.94932943    -16.30636152
  H     18.17758907      7.69998261    -12.02710611
          69
 Energy    -247.96184881813713     
  O     -2.10001833      1.24662739      3.99250092
  H     -2.57418170      0.90113015      4.74354163
  H     -2.62598025      4.02512481     -2.58949510
  O     -4.00146456      1.03638843     -1.93696095
  H     -2.15091772      2.21590727      4.06435880
  H      2.49530175      2.95950121      3.59543901
  O     -3.13180986      2.86543374     -3.97071402
  H     -3.98896351      1.57085030     -1.13286774
  H      2.22272004      2.98474370      5.10554954
  O     -3.97987394      4.95300840      1.99104446
  H     -3.86060373      1.65769126     -2.66257367
  H      1.07935819      2.65894909      1.45977418
  O     -0.18245213     -0.25758147     -0.54812661
  H     -3.48932604      3.07465606     -4.82936084
  H     -0.44252958      2.35477902      1.27358405
  O      1.01430135      1.38508223     -2.53379569
  H     -2.40027038      2.23861939     -4.11670092
  H     -3.06466679      3.37749234     -0.49995222
  O      0.36485710      6.98320819      1.23105118
  H     -4.77281747      5.46528975      2.12500136
  H     -3.79964955      3.45298965      0.85507571
  O     -2.22190818     -0.97781418     -2.33905969
  H     -3.38548615      5.49554865      1.44075299
  H     -1.39548772      4.41554543      3.80882603
  O      2.71549867      2.04952223      2.00011465
  H     -0.71100894      0.17564359      0.13975363
  H     -2.87212361      4.32446913      3.37178878
  O      2.35141056     -0.35252721      0.55828308
  H     -0.81649134     -0.64629469     -1.16389713
  H     -1.85220677      1.01854666      2.25772786
  O     -2.30494631      6.29258384      0.34668898
  H      1.96128096      1.38081547     -2.33477716
  H     -2.38543317      1.63589300      0.92125955
  O     -2.30234412      4.43770419     -1.78012239
  H      0.58764106      0.84789020     -1.85218588
  H      0.14336276      4.34442305      2.37510157
  O      2.28021656      3.54721183      4.33607019
  H      0.47900544      7.85328149      1.60625205
  H      0.97012432      4.63806512      3.64208321
  O      0.23792002      3.03213945      1.16593896
  H      0.34606448      6.35840290      1.97646210
  H      1.60966898      5.06186926     -0.97046565
  O     -3.50039009      2.83727135      0.17605822
  H     -2.69129982     -1.78463020     -2.53351035
  H      1.69312220      6.13292425      0.12583663
  O     -2.23067239      3.97149786      4.00098005
  H     -2.89664660     -0.30352818     -2.13916722
  H      0.29457794      3.58871577     -0.51871776
  O     -1.69489966      1.07588206      1.30378604
  H      2.64692783      1.17106032      1.60583151
  H      0.59419221      3.04289796     -1.94105238
  O      0.25762344      4.98959326      3.09131038
  H      3.25572222      2.59507811      1.40925566
  H     -0.33164034      1.18108135     -3.78453024
  O      2.23702700      5.56763639     -0.43389092
  H      2.59940018     -1.25465943      0.74630856
  H     -1.51984641      0.21295092     -3.70951818
  O      0.33414358      3.83665898     -1.45620722
  H      1.45744007     -0.38582885      0.17925076
  H      4.93000576      4.05372855      0.20103932
  O     -1.18939964      0.98409377     -4.18577693
  H     -1.39688521      6.55201087      0.53696821
  H      3.43756067      4.37700394     -0.03633251
  O      4.06246997      3.65892697      0.16861027
  H     -2.29475262      5.79375345     -0.48139114
  H      3.77899804      2.15393503     -1.00334874
  O      3.54784244      1.34146652     -1.46988473
  H     -1.34877085      4.26510972     -1.74026611
  H      3.29188592      0.70743627     -0.78880644
          69
 Energy    -247.96183303415341     
  O     11.81283439      7.34048122    -14.54282452
  H     12.50490419      7.29711054    -15.21585504
  H     17.07419040      6.06630989    -15.97673931
  O     17.45893058      7.07722685    -13.04328875
  H     11.69181139      8.27672831    -14.34582978
  H     20.53722465      8.94458558    -13.08486694
  O     15.69902764     10.72684292    -11.08385359
  H     17.68587985      7.79650733    -12.44029519
  H     19.55957109     10.08765574    -13.38490201
  O     16.04306506     11.23495407    -13.82479985
  H     17.00164649      6.42067644    -12.50069204
  H     14.07059716     10.74053384    -16.20358721
  O     15.51888789      4.91907666    -16.05800653
  H     16.45341488     10.11698491    -11.04169061
  H     14.52091456     11.37939750    -14.87606830
  O     15.20516590      7.62608034     -8.43214362
  H     14.91647299     10.21256101    -11.33449355
  H     15.61402416      9.42411385    -14.09107708
  O     16.09204325      5.51155697    -11.20696462
  H     16.97539307     11.26233117    -14.07009743
  H     16.06418760      7.97179500    -13.73872358
  O     13.57844666      9.18734806    -12.02595772
  H     15.98596434     11.23819668    -12.85975343
  H     11.40720544      4.87484475    -12.63537149
  O     17.55314229      9.37029061    -16.54586304
  H     15.53739313      4.08337553    -16.51634972
  H     12.02330655      6.11077299    -13.33068740
  O     17.65482536      6.85081948     -9.21489172
  H     15.27633602      4.72480533    -15.13451312
  H     13.86610527      4.73255961    -13.25401611
  O     18.70385974     10.98810429    -14.75390874
  H     15.08304768      8.58141362     -8.33635997
  H     15.30309422      4.64826787    -12.70832473
  O     17.76517183      6.71421012    -15.79836461
  H     14.53622444      7.31756001     -9.05506703
  H     18.70827498      9.23965530    -11.41690456
  O     19.97534191      9.59196050    -12.66315424
  H     16.70183598      5.77856763    -10.50899697
  H     17.95585332      8.32127072    -10.36463802
  O     13.74166080     11.19289570    -15.41782739
  H     15.25285330      5.95413419    -11.00891835
  H     14.81131004     11.21750140     -7.92832856
  O     15.31228485      8.50916074    -14.01898974
  H     14.15943156      8.83790578    -12.72129137
  H     15.26760906     10.66567293     -9.28696456
  O     12.19532008      5.41013724    -12.67638068
  H     12.83135440      9.57938810    -12.49192734
  H     14.52570098      7.75043433    -15.39244782
  O     14.76721020      4.48172030    -13.49303280
  H     16.67800208      9.49410504    -16.92660283
  H     14.53248911      6.47255560    -16.26826196
  O     17.84902660      9.00829116    -11.03462215
  H     17.64686728      8.42372678    -16.35931243
  H     13.59020756      7.67579194    -11.05234401
  O     15.00488408     10.40633202     -8.39106149
  H     18.16132615      6.51902498     -8.47894590
  H     13.07004244      6.24007343    -11.22496341
  O     14.11303510      7.33594864    -16.16945224
  H     16.79297227      7.13796338     -8.85693950
  H     12.41954630     10.53794802    -14.48392226
  O     13.64887419      6.78457819    -10.67753419
  H     19.13334782     11.70282181    -15.21718490
  H     10.98823378     10.73559100    -13.93462975
  O     11.73170589     10.13913286    -13.92101036
  H     18.33131639     10.39516841    -15.43388105
  H     14.52691450      8.75032847    -17.16139081
  O     14.83323929      9.59453623    -17.53463160
  H     17.81499503      6.77432097    -14.83417726
  H     14.60585555      9.58339425    -18.46113848
          69
 Energy    -247.96175822958551     
  O      2.00080963     -0.47697077      3.27274654
  H      2.90260231     -0.64133281      3.53545220
  H     -3.24120341      0.27007248      3.47990174
  O     -2.86331243     -0.65639423     -3.40270625
  H      1.94595465     -0.67610973      2.32059263
  H     -2.52351540      3.14093010      0.25066669
  O     -0.14390931     -2.00007721      4.46131014
  H     -2.07403904     -0.34551421     -2.92730472
  H     -2.69794187      4.67256023      0.13909803
  O     -4.77779331     -0.17889421     -1.37171653
  H     -2.70019183     -0.51228476     -4.33129709
  H     -2.53461206     -0.09535992      5.38503145
  O     -2.63263040     -3.13959092     -1.90475864
  H      0.63741040     -1.53714251      4.13814019
  H     -1.42034689      0.90470057      5.69197717
  O     -0.53367871     -2.25124282     -0.33677045
  H     -0.63040953     -1.35983398      5.00166865
  H     -0.41213783      3.55939733      0.63001304
  O     -2.97110524      3.62517069      3.43931538
  H     -4.88496064     -1.07833598     -1.03121014
  H      0.50856267      2.71111215      1.52746438
  O     -4.35914469     -1.98172744      2.28501885
  H     -4.25221616     -0.26849991     -2.17691975
  H     -1.99112188      1.08731934     -0.83541964
  O      0.36448206      1.76858447      3.04746934
  H     -3.41207678     -3.13279196     -1.33561329
  H     -3.51780109      0.98584424     -0.61257311
  O     -0.78807254      0.09790739     -1.76092885
  H     -2.76575948     -2.42422747     -2.53743057
  H     -2.27273166      0.89509584      1.32668487
  O     -5.48784615      2.30419416      3.23559080
  H     -0.88643687     -2.31536338      0.56328363
  H     -1.17661190      0.97843811      2.44125583
  O     -3.94771913      0.07466979      4.11803406
  H     -1.16183815     -2.71437620     -0.90829057
  H      1.78409871     -0.12181957      0.02661161
  O     -2.29021209      3.98875391      0.66532938
  H     -3.84804230      3.22501559      3.38723401
  H      1.08710920     -1.48106447      0.25451459
  O     -1.65160644     -0.02762560      5.77069808
  H     -2.70515523      3.80057165      2.52905808
  H     -1.78909391      3.08279002      4.60943531
  O      0.44999057      3.13146574      0.65638749
  H     -4.40214188     -1.43235705      3.07874352
  H     -0.95658837      3.42916397      5.86558758
  O     -2.73256930      1.48476572     -0.35749460
  H     -3.42284918     -2.22586601      2.21507089
  H      1.18415965      2.08581717     -0.48910343
  O     -1.99185870      0.53447984      2.17516251
  H      0.00511379      2.11224173      3.87564691
  H      2.30155109      1.83848408     -1.53298058
  O      1.76972197     -0.89367269      0.60384362
  H      0.95810958      1.03198301      3.24355756
  H     -1.11133223     -2.31836747      2.99228869
  O     -1.08879277      2.75653844      5.20292927
  H      0.04230191      0.58235807     -1.67588993
  H     -1.72270751     -1.21184926      2.11490774
  O      1.55456227      1.42832347     -1.10631316
  H     -0.69758218     -0.71677646     -1.24225224
  H     -5.72018257     -3.37115238     -0.27795194
  O     -1.61856174     -2.17452507      2.18005472
  H     -6.36674029      2.59601974      3.46360930
  H     -4.80125697     -2.57555963      0.67280746
  O     -4.97710874     -2.77235005     -0.26232372
  H     -5.58175559      1.71147843      2.46900696
  H     -5.56311328      0.38621169      0.28781048
  O     -5.64874366      0.44724938      1.24550104
  H     -4.55536314      0.81949200      4.06097080
  H     -5.22173568     -0.34628243      1.59162502
          69
 Energy    -247.96174447020672     
  O     13.27976047     12.88541709    -15.47740997
  H     13.92705076     13.59962180    -15.49663799
  H     16.44932890      6.91393579    -15.53335922
  O     18.55927847      7.49684956    -13.15965691
  H     13.59562336     12.22805194    -16.11196407
  H     17.45737986     11.10761596    -14.00208626
  O     18.06156538     11.74013464    -10.40452849
  H     18.79244189      7.97539401    -13.96379215
  H     18.61391445     12.11009461    -13.94560098
  O     16.19652977     14.44250994    -12.96433204
  H     17.85530335      6.88581970    -13.40947971
  H     16.62285718     10.01568981    -12.25183996
  O     16.32647143      5.89547083    -14.00872663
  H     17.23627265     11.89286266     -9.93012313
  H     15.65090922     11.21801981    -12.52328986
  O     14.11933892      9.53998853     -9.88962382
  H     18.08246805     10.78904607    -10.58035700
  H     14.72132304     10.23292055    -17.67455064
  O     14.56648028      6.84685886    -12.18184907
  H     17.11260704     14.14922996    -12.89496999
  H     14.49769930     10.35782856    -16.16009440
  O     12.20660665     12.03772262    -13.15167364
  H     16.01429938     14.61775921    -13.89670908
  H     17.10529912      8.48835983    -10.55505309
  O     15.30019791      8.67308138    -18.50617071
  H     15.65875639      6.24208799    -13.39019277
  H     18.07630379      8.49804671    -11.77158889
  O     15.79334912      7.46671837     -9.69897821
  H     16.28748036      4.94474338    -13.94526763
  H     12.59293001     10.19556919    -12.68160999
  O     18.88517564      9.00541243    -15.58107308
  H     14.51147521     10.39638115     -9.68279524
  H     13.53071921      9.21584105    -13.37625318
  O     16.50112370      7.61244923    -16.19980272
  H     13.74583023      9.58746578    -10.77921621
  H     13.75998762     12.48448082    -12.25880038
  O     18.21871112     11.43382213    -14.50785676
  H     14.98706997      6.95291722    -11.31868127
  H     15.10664744     13.31261283    -12.24645298
  O     16.18312536     10.53013978    -12.94178458
  H     13.92988640      7.56519845    -12.25785682
  H     19.56606146     13.82353135    -12.23047151
  O     14.53804815     10.87608152    -16.97782565
  H     12.55061668     12.32182643    -14.01848319
  H     18.56117595     12.75817964    -11.73995075
  O     17.66109152      9.05888586    -11.09890483
  H     11.33893056     12.42341337    -13.06486267
  H     15.10024325     12.68526050     -8.69429141
  O     13.04103954      9.35150395    -12.55060286
  H     15.73076405      8.21023666    -17.77066167
  H     15.08526250     12.33342334    -10.20168170
  O     14.61817525     12.58292290    -11.83198460
  H     14.93683089      7.99178613    -19.06682268
  H     17.31422705     12.18804827    -15.96704140
  O     18.81207355     13.30809831    -12.50438356
  H     15.15676906      8.20618880     -9.66673700
  H     16.04906725     11.95637166    -16.83433390
  O     15.40431135     12.04070300     -9.32829644
  H     15.76767002      7.03961277     -8.84764113
  H     15.50398906     15.47326154    -16.28067894
  O     16.75530485     12.58911031    -16.64378165
  H     19.63546394      9.08122189    -16.16569721
  H     15.98025988     14.01540749    -16.07026602
  O     15.47196723     14.74366785    -15.66809599
  H     18.71487875      9.89570956    -15.23084381
  H     15.23887992      8.60353137    -15.24902096
  O     14.67955375      9.22427558    -14.76810853
  H     17.32856502      8.08881448    -16.04725950
  H     15.24747862      9.67275366    -14.12022349
          69
 Energy    -247.96164382985478     
  O     15.84253697     10.18603428     -8.97125259
  H     16.06979276     10.42823006     -8.07720088
  H     14.61718725      6.09282590    -14.74226381
  O     12.89492106      6.29976022    -11.23102477
  H     16.68096184     10.06819801     -9.45440070
  H     17.35110290      7.67775045    -14.25219563
  O     17.11183690     10.67137192    -12.91087108
  H     13.55969006      6.77211421    -10.71530521
  H     16.67204342      6.28599944    -14.07953602
  O     17.25907607      9.24734508    -15.24431018
  H     13.34478970      5.52479790    -11.59624381
  H     14.87967072      8.59329285    -11.72382160
  O     15.47288432     12.91843864    -13.06487496
  H     17.27903575     10.27916016    -13.77940555
  H     15.59084327      9.62773929    -12.64780124
  O     15.07530051      7.73121644    -10.13294872
  H     16.65324274     11.51156841    -13.04090290
  H     14.30410228      3.24678331    -12.46354477
  O     14.69127006      9.40769931    -16.29351002
  H     17.85248290      9.10158787    -15.99029861
  H     14.67276429      4.50784682    -13.25928946
  O     13.70359551     11.54611788    -14.86815333
  H     16.36533447      9.33735197    -15.60601147
  H     13.19429906      9.90281044    -12.63575673
  O     16.15222788      5.22082720    -17.40598739
  H     15.15505538     12.70862918    -12.16648931
  H     11.77500672      9.35805604    -12.87481997
  O     11.28232297      7.52843650    -13.00593185
  H     15.65898881     13.85323489    -13.07888145
  H     17.57950248      6.86077913    -12.04219178
  O     13.63945834      7.54066628    -14.53481654
  H     15.24013073      8.52764626     -9.61096520
  H     18.12772511      6.13363562    -10.79690883
  O     15.25137277      5.35827113    -14.75818304
  H     15.93559086      7.35440674    -10.36311151
  H     18.43525824      6.15482261    -15.35372694
  O     17.43298650      6.82061527    -13.81154637
  H     14.35610101     10.24054727    -15.92983414
  H     17.89962780      5.57534215    -16.67522753
  O     14.81528777      9.06127576    -12.56580903
  H     14.23069471      8.70649130    -15.81193822
  H     17.81884990     10.09531096    -11.34326109
  O     14.31218080      4.19953231    -12.41371133
  H     13.05791345     11.16537459    -14.25981572
  H     18.04148927      8.72855203    -10.66266221
  O     12.27630150     10.17711768    -12.78440122
  H     14.29264029     12.07834413    -14.31975043
  H     16.93368763      8.12525810    -18.11536766
  O     17.62211131      6.89457445    -11.07194055
  H     16.04067382      6.13432741    -17.72636491
  H     15.48290784      8.42584211    -17.67797673
  O     18.67812503      5.98052794    -16.27160337
  H     15.95737860      4.64634163    -18.14137078
  H     13.65949933     12.16726407    -10.52685131
  O     18.01973179      9.67764485    -10.49234866
  H     11.81436299      7.08747881    -12.31648242
  H     14.99300656     11.54240383    -10.03915894
  O     16.02434196      7.81184360    -18.19256652
  H     10.42267473      7.11813295    -12.99471706
  H     19.56874204      8.62511355    -17.91804888
  O     14.62217968     12.22116327    -10.61269630
  H     12.74032434      7.45737573    -14.19697420
  H     18.84162606      7.53529042    -17.09156869
  O     18.74838150      8.42523008    -17.47621443
  H     14.12665945      8.04393048    -13.86196500
  H     11.07961941     12.43167126    -10.79763532
  O     11.87201023     11.91579141    -10.67235254
  H     15.49874382      5.21045404    -15.67887468
  H     11.91541604     11.30465484    -11.42594330
          69
 Energy    -247.96164251537627     
  O     18.82825338     10.08483747    -13.57871695
  H     18.37158784     10.93291499    -13.62213614
  H     10.64532715      9.93823173    -10.94068922
  O     14.34927999      6.53820650    -11.68363118
  H     18.68756423      9.75421435    -12.68005264
  H     15.60833508     12.85622567    -10.78113854
  O     13.74144290     12.89009862    -10.48988963
  H     13.44871222      6.76660117    -11.94904512
  H     16.86348822     12.12141834    -10.26276368
  O     18.38919609      6.31254412    -10.64952527
  H     14.75645186      6.12242328    -12.45577984
  H     14.78769623      9.57276546    -11.00062592
  O     12.78007700      7.46301345    -15.32511627
  H     13.30134607     13.71264322    -10.29402998
  H     15.03735534      8.22188974    -11.71832171
  O     15.36828610      5.64454434    -14.10710069
  H     13.41365240     12.59105428    -11.35788588
  H     18.54764150      8.79525072    -14.67118287
  O     15.12938346     10.61207602    -13.96689150
  H     18.26830037      6.13371844    -11.59986027
  H     18.99423028      8.02647757    -15.93789317
  O     15.36937814      9.00266881     -7.96111355
  H     19.15126021      5.81122212    -10.37234010
  H     11.30963759      4.13997339    -12.34645563
  O     13.05920261      4.57855695    -15.33577234
  H     12.82363081      6.51963148    -15.52358248
  H     11.42722612      5.54825717    -12.95396688
  O     13.58116690     10.20456527     -9.71293640
  H     13.67577609      7.79858808    -15.45830485
  H     17.13217562      5.65322554    -13.56416861
  O     15.88258678      6.71399885     -9.33648995
  H     15.39189732      6.52752031    -14.50663058
  H     18.25138593      6.63327799    -13.93555058
  O     11.45674970      9.68498533    -11.37511584
  H     14.66554743      5.15813802    -14.55352899
  H     12.29335922     11.05585410    -12.52917892
  O     16.54050060     12.70093677    -10.96767560
  H     15.22807578     10.09477965    -13.15075423
  H     13.56377404     11.41472036    -13.33775562
  O     15.33004326      9.14174220    -11.67173841
  H     15.83276688     11.27342955    -13.95564044
  H     12.15424029      7.47003328    -13.65012743
  O     18.34384902      8.03087069    -15.24097571
  H     15.56971595      8.17535921     -8.43505103
  H     11.65521307      8.11441054    -12.31081347
  O     11.37797344      4.60416452    -13.17731097
  H     15.36657828      8.78952884     -7.03173143
  H     16.71137153     10.27534540     -8.59941779
  O     18.01430096      5.94733459    -13.30011043
  H     12.80586778      3.92781204    -15.98489787
  H     17.76745676     10.24633551     -9.70933336
  O     12.85140766     11.79210308    -12.80356303
  H     12.43652776      4.49254963    -14.59333100
  H     15.36135800      9.07306213    -14.90856511
  O     11.87719243      7.28020314    -12.73907374
  H     14.13789323      9.85924450     -9.00256725
  H     16.48518837      8.13378338    -15.39302672
  O     17.33360176     10.83535128     -9.07525429
  H     13.71509284     11.15931546     -9.78792355
  H     17.46039032     13.29358027    -13.89274578
  O     15.52778110      8.19532382    -15.28098114
  H     16.75898615      6.52080646     -9.69124306
  H     17.02505538     12.55118913    -12.60703493
  O     17.23242192     12.43298726    -13.55271625
  H     15.26758139      6.54289502    -10.06252881
  H     18.28027577      8.15340592    -10.89730756
  O     18.06774639      9.07063030    -11.10551988
  H     12.16998321      9.80453861    -10.72523647
  H     17.11934503      9.09772737    -11.30475674
          69
 Energy    -247.96161334361554     
  O     12.94744890      8.96299883    -10.32797909
  H     13.66659629      9.41007609     -9.86336751
  H     15.11727488      7.65776932    -16.06254977
  O     13.99257590      5.56063027    -12.57460879
  H     12.87292557      9.40294804    -11.18446639
  H     17.47820364      4.16438413    -15.26363434
  O     16.39713701     11.40567551    -11.30578888
  H     13.47278279      5.70957057    -11.77360890
  H     16.09052938      4.80368022    -15.01389577
  O     18.73955178     10.13330911    -12.42618128
  H     14.88604624      5.31119535    -12.29286187
  H     17.23028180      9.34805466    -15.06737904
  O     12.67039576     11.03225137    -17.02749280
  H     17.24868350     11.06098776    -11.59753655
  H     17.97545146     10.32421910    -14.12797864
  O     15.50587316      5.66363962     -9.28883165
  H     15.92413189     11.64890012    -12.11145433
  H     14.65951080      7.23449680    -12.78231472
  O     12.12124230      8.85040170    -15.25732229
  H     19.63376049     10.21708109    -12.10545949
  H     14.47355546      8.77807126    -12.83153505
  O     15.17914046     11.67039580    -13.84276344
  H     18.40525227      9.27703133    -12.10593670
  H     12.84448604      7.24750690    -10.20015617
  O     16.29338381     11.29759910    -17.28515906
  H     13.22258525     10.54414725    -17.65187228
  H     12.06704925      6.03548222     -9.63261995
  O     14.36561611      5.02007001    -15.30377226
  H     12.34726495     10.37505302    -16.39986722
  H     16.93750440      4.95734797    -12.85033058
  O     16.65692019      7.64163868    -15.10215830
  H     15.92887831      5.29466895    -10.07202791
  H     17.11613219      6.05331022    -11.77925040
  O     14.25634699      7.63848843    -16.50489511
  H     14.58579799      5.82566124     -9.53050225
  H     17.39677324      7.95213918    -10.55310170
  O     17.03154700      4.84267764    -14.76404659
  H     11.36886571      8.26508909    -15.30480865
  H     16.64645710      8.03665579    -11.91718249
  O     17.39799113     10.28711939    -14.90055901
  H     12.87200387      8.37436068    -15.65040939
  H     16.25613540      8.78037695     -8.85682118
  O     15.12584021      8.07268887    -12.90167279
  H     14.86778523     12.25630755    -14.54326116
  H     16.38267796      7.23021270     -8.86482658
  O     12.82269516      6.27393460    -10.16244707
  H     15.91087212     11.15994898    -14.21738215
  H     15.28366079     10.14838021    -18.12049097
  O     16.69499445      5.19830584    -11.94763630
  H     15.73127289     12.00803008    -16.95250341
  H     14.79949870      9.52870572    -19.45384949
  O     17.51321438      7.87930321    -11.51421772
  H     16.81689666     10.99694601    -16.53055594
  H     15.07800285     10.97882630     -8.48054364
  O     16.89130357      8.05491445     -8.88333312
  H     14.17731688      5.82223777    -15.80506960
  H     15.58847202     10.71858279     -9.91459381
  O     14.61811865      9.55785929    -18.51840342
  H     14.05211302      5.17262921    -14.40036431
  H     13.63982927     12.36841386    -16.44116198
  O     15.13647599     10.30804106     -9.15645836
  H     16.13235134      7.80895875    -14.30068877
  H     13.95970176     13.88148244    -16.35856256
  O     14.29648596     13.01872025    -16.13333986
  H     16.97412580      6.73401592    -15.03835517
  H     12.70229298      9.67233807    -13.70126763
  O     13.14409527     10.03101556    -12.92076974
  H     14.34974466      8.19087276    -17.29166892
  H     13.78037621     10.69188063    -13.22957434
          69
 Energy    -247.96158910983914     
  O     20.21758882      9.84304697    -12.52499857
  H     19.51521013     10.18220611    -13.10069733
  H     15.45505647      9.51874647    -13.45306631
  O     20.23001173      5.75062579    -12.53823528
  H     20.73248291      9.21991027    -13.04663631
  H     17.09103165      6.53993154    -13.26753481
  O     15.37143945      6.59738648     -9.88961778
  H     20.85289509      6.36005976    -12.95105305
  H     17.56755684      7.59804423    -12.22246529
  O     13.16950473     10.44669822    -11.56608072
  H     19.35442790      6.16713175    -12.63484324
  H     15.71034014      8.63847172    -15.47253133
  O     18.09505120     10.68404811    -14.09104766
  H     16.02069075      5.94098565     -9.61103114
  H     15.26348856      7.40565274    -14.63636423
  O     12.46829404      8.70195688    -13.75095645
  H     15.88952766      7.35146019    -10.21067851
  H     17.71535804      4.37440990     -8.55534855
  O     18.32554639      3.69871172    -11.86218716
  H     13.13679542      9.67320062    -10.97427449
  H     18.30856137      5.49023111     -9.44502914
  O     14.06503151      5.28044543    -12.00663772
  H     12.66743268     11.13808578    -11.14388321
  H     18.57589071      7.46212985    -14.54934373
  O     17.19941042      3.34398831    -14.31362431
  H     17.85854757     10.33600458    -14.95698033
  H     19.15510767      6.47073500    -15.58157906
  O     21.45513911      7.78970056    -14.12188373
  H     17.27134334     10.68055669    -13.58511849
  H     13.77692025      7.63076106     -9.87270921
  O     19.49955214      4.72201287    -15.25134489
  H     12.63520236      9.40571029    -13.11174860
  H     12.44918126      7.61573392    -10.65831574
  O     15.66242650     10.17515452    -12.77151219
  H     13.29333638      8.57988197    -14.23860327
  H     19.65611310      7.48186263     -9.80507248
  O     17.85786180      7.03596134    -12.94962948
  H     17.94221527      4.01577320    -11.03563856
  H     20.06606716      6.26649904    -10.66275101
  O     15.07418654      8.33870649    -14.81231137
  H     19.12319850      4.22362979    -11.99786405
  H     19.78817207      9.56169280    -10.90385941
  O     17.55867104      4.87585908     -9.35203424
  H     13.17815647      5.65770349    -12.05240477
  H     19.81559761     10.02885196     -9.42662686
  O     19.01961180      7.41478826    -15.41186990
  H     14.49660219      5.69110872    -11.24504487
  H     15.08552146      5.53360951    -13.36506909
  O     13.00823119      8.16979480    -10.09815633
  H     16.87238066      2.45558258    -14.42744617
  H     16.14499412      4.89872288    -14.31092855
  O     19.68572235      6.51710287     -9.81302433
  H     17.53947309      3.40344145    -13.40231176
  H     17.35014656      9.39625955    -17.37795101
  O     19.47072300      9.35452004    -10.00489063
  H     20.67420620      7.73521019    -14.69694947
  H     17.91229340      8.54515509    -16.21453827
  O     15.71303940      5.72888455    -14.08127546
  H     22.21473862      7.85800419    -14.69528700
  H     10.71607615      6.46559687    -12.29887141
  O     17.23690816      9.20377615    -16.45065690
  H     18.71886444      4.17889336    -15.08002061
  H     11.87379118      7.37729390    -12.77069171
  O     11.62098278      6.70190307    -12.11597553
  H     19.90839065      4.85571150    -14.38925072
  H     17.73084823      9.00405998    -10.50991887
  O     16.91963384      8.63407949    -10.87855211
  H     14.82655755     10.41251132    -12.35042627
  H     16.51396140      9.28071628    -11.47303787
          69
 Energy    -247.96130091373408     
  O     14.29396782      3.59077097    -10.24709163
  H     14.36472057      2.66118721     -9.99786400
  H     16.29088569      7.27421379    -15.96151229
  O     12.55380446      3.68117298    -12.42341084
  H     13.64959070      3.63789372    -10.96715880
  H     17.32176138      5.30358330    -14.92742636
  O     16.89163720      3.97407001    -11.27625952
  H     11.85964356      4.34124941    -12.32731805
  H     17.88189431      6.67166861    -14.47456609
  O     18.55566909      7.54217529    -13.02758504
  H     13.19468726      4.05506335    -13.05030067
  H     15.22842037      7.82683422    -13.04672604
  O     11.06630991      7.45570067    -14.54489023
  H     17.15793321      4.85032527    -10.97252889
  H     14.27808753      7.22273413    -11.97308268
  O     13.67889364      1.08156307    -12.67192400
  H     15.98320184      3.85054979    -10.96549541
  H     13.30910196      7.13048363    -10.22531163
  O     14.68608348      0.81493717     -9.99270356
  H     18.34868652      8.48080585    -12.95359610
  H     12.12301928      6.95512971    -11.22882624
  O     17.51916532     10.23130487    -12.66495808
  H     18.27113880      7.15455523    -12.19293646
  H     16.10211551      0.20496418    -14.54166640
  O     17.34592991      9.33864011    -10.00518970
  H     11.83060329      7.12789903    -15.05448104
  H     15.19815574      0.98350394    -13.55776415
  O     14.40872739      4.85581859    -14.01781350
  H     10.40806587      7.72197149    -15.18133700
  H      9.91009142      5.95375085    -11.94244105
  O     15.30055296      9.41960198    -14.01360898
  H     13.15260928      1.89086496    -12.65547566
  H     10.86849699      6.44683503    -13.04950103
  O     15.66573605      7.91740889    -16.34646573
  H     13.88724628      0.88340394    -11.75021450
  H     16.38136495      6.78059236    -11.32804939
  O     17.40524544      6.22669142    -15.19063167
  H     14.69801998      0.15031399     -9.30993167
  H     17.24126655      7.56567350    -10.29612356
  O     15.06854310      7.04684808    -12.50239797
  H     15.58698417      0.85836251    -10.36157142
  H     16.70595607      2.69584961    -14.15755461
  O     12.82127472      7.55771225    -10.94681006
  H     17.88836084     11.00910610    -13.07538395
  H     16.97443931      3.79940406    -13.10809766
  O     16.09572311      0.93865652    -13.93279918
  H     16.70817401     10.01216084    -13.15562258
  H     16.89854412      0.98264121    -12.16878056
  O     10.82344406      5.94307609    -12.22055413
  H     16.85107197      9.95064221     -9.46502269
  H     17.22835952      2.11189284    -11.17618206
  O     17.07277625      6.68126082    -10.65172559
  H     17.40787672      9.74347594    -10.88354751
  H     13.59167950      5.83931200    -15.30764004
  O     16.88433858      3.63943410    -14.05955727
  H     14.66258409      5.63291045    -13.49638358
  H     13.99091245      7.06602830    -16.13681026
  O     17.07710970      1.15859628    -11.23649836
  H     15.22088280      4.35505281    -14.16101533
  H     15.41197824      6.39018544     -9.47232312
  O     13.22636210      6.55495426    -15.84750895
  H     14.36388733      9.51614037    -13.78235332
  H     14.37731818      5.25813190     -9.46031692
  O     14.49625039      6.19546954     -9.24914926
  H     15.37215430      8.99626295    -14.87915451
  H     12.71205908      8.95132768    -12.26140936
  O     12.69875615      9.37911294    -13.12813186
  H     16.01124566      8.15319587    -17.20301871
  H     12.10200742      8.84227419    -13.66230243
          69
 Energy    -247.96129763016211     
  O     -1.93739246      3.67088775      3.02133135
  H     -2.40303449      3.67489585      2.17496387
  H     -0.52010293      3.16606325     -2.32513192
  O     -2.77514761      6.49147274     -0.52538639
  H     -1.55554035      4.55325807      3.11569277
  H      2.20548119      8.49458198     -2.31171436
  O      2.67930273      7.47187536      1.92637492
  H     -2.59305003      7.12723857      0.17595244
  H      1.43708790      8.27586192     -0.98216425
  O     -0.43156553      6.17167130     -1.85891303
  H     -1.97549628      6.45967870     -1.07435418
  H     -2.57809880      1.66038396     -2.12637126
  O      0.48392640      5.06884551      0.55817730
  H      3.09408510      6.80693289      1.37077136
  H     -3.12507272      2.27596595     -3.42589735
  O     -1.84176683      8.13656873      1.58484473
  H      2.47976905      7.04698189      2.77036768
  H      2.83654094      3.54310014      3.05633021
  O     -1.24216809      2.26568046     -0.94995714
  H      0.34376244      6.73640004     -1.96588352
  H      1.59274900      3.05160199      3.83679732
  O     -0.54721519      6.11939918      2.88736217
  H     -0.30677615      5.37065751     -2.38479801
  H     -4.68157282      4.54112413     -2.16276612
  O     -3.06372995      3.87734741      0.44096216
  H      0.01931515      5.40511109     -0.21767775
  H     -3.81665569      5.79775950     -1.95709170
  O      0.75902927      8.84381970      0.47612672
  H      1.41482970      5.27011484      0.39569403
  H     -2.93266835      4.07502556     -5.31707970
  O      0.86070564      2.31137284      0.82608066
  H     -1.43396130      7.44802928      2.13807235
  H     -3.18022041      4.42665260     -3.83182654
  O     -0.19764117      3.69399066     -3.07221461
  H     -2.29620195      8.73200022      2.17587151
  H     -0.21310575      1.20365825      4.02798124
  O      1.83689805      7.82076949     -1.74760716
  H     -0.49250999      2.07143882     -0.37271954
  H     -0.69007929      2.52340954      3.37281493
  O     -3.34694838      1.66359852     -2.71387392
  H     -1.84236856      2.83058176     -0.44209538
  H      2.81777204      2.79068666     -2.33267609
  O      2.32705708      3.67542224      3.86856754
  H      0.18713161      6.23413614      3.50272324
  H      1.60782523      3.67210138     -2.67327134
  O     -4.19408196      5.22601892     -2.63741302
  H     -0.16899793      5.73655946      2.07921445
  H      2.13779071      6.49695629      5.22242634
  O     -2.64119924      3.87915096     -4.43064384
  H     -2.96770636      4.79847336      0.16111782
  H      2.03977029      5.31020824      4.23120450
  O      0.07818820      1.93569791      3.49170153
  H     -3.87397872      3.54705545      0.03261122
  H      3.55191798      4.10113503      0.76212592
  O      2.50287418      3.69213263     -2.30386912
  H     -0.12255787      8.68028563      0.82459304
  H      2.69295412      2.85102643      1.03523786
  O      1.83077564      6.25522327      4.35342592
  H      1.39129486      8.44071734      1.09195106
  H     -6.01150894      2.50063792     -1.08897699
  O      3.47069735      3.33731873      1.34238746
  H      0.67042136      3.26107439      0.76408597
  H     -4.60815070      2.40519769     -1.73725925
  O     -5.18217634      2.96118263     -1.18009379
  H      0.61655201      2.04476644      1.72248023
  H      2.94208344      4.93188057     -1.09898925
  O      3.05551731      5.62345902     -0.42587909
  H     -0.93433801      3.75183462     -3.69370867
  H      2.78754046      6.44370048     -0.86107635
          69
 Energy    -247.96128453810016     
  O     12.43421329     10.87119814    -13.55137022
  H     12.56828812     10.24056641    -14.27154640
  H     19.97781764      8.54873814    -14.28076980
  O     16.33178964      6.63455461    -12.74666609
  H     13.00446694     11.62410024    -13.74623070
  H     14.98046749     11.46167761    -16.89312825
  O     18.42363819     10.69543133    -11.83625285
  H     15.78716210      6.22711863    -12.06310485
  H     16.33048705     11.22141694    -16.18070297
  O     17.53947106      9.83000280    -15.74599697
  H     17.12098638      6.99549793    -12.32277940
  H     16.27722107      9.26648495    -14.57291687
  O     12.97789005      6.23782287    -15.04432636
  H     18.38024065     10.70996283    -10.86958282
  H     15.76942194      8.19928457    -13.53818118
  O     15.01239037     10.00774835    -10.11042728
  H     17.55271250     10.99605997    -12.13604294
  H     11.62811538      9.61135312    -10.79484564
  O     14.65325910      5.56702421    -10.75115462
  H     18.33526749     10.11344952    -15.27847420
  H     12.45127566     10.00616537    -12.04047230
  O     15.82636080     11.28786386    -12.44383929
  H     17.71927246      8.95477463    -16.11552487
  H     19.23359782      7.16515584     -8.64714070
  O     15.65875503      7.45190789     -9.15130716
  H     12.89246623      6.43864870    -14.09393568
  H     18.61374920      7.61071912     -9.99224356
  O     18.01263792      7.15808912    -16.41857790
  H     12.31337499      5.58434656    -15.24498180
  H     12.67059645      7.73900827    -12.03032635
  O     15.84496181      5.91288371    -15.36982812
  H     14.09834786      9.80647452    -10.34964475
  H     13.34736290      6.37156854    -11.80263693
  O     19.82342872      7.59911947    -14.19437058
  H     15.34106909     10.52910470    -10.85613442
  H     20.47478341     11.14688365    -14.28956623
  O     15.61523947     11.86059802    -16.28049855
  H     14.62719945      4.72392988    -10.30819372
  H     19.39481584     10.61874165    -13.31767776
  O     15.56793493      9.04778300    -13.95179793
  H     14.97413955      6.22076908    -10.10251384
  H     19.12237545      7.64018041    -12.55209547
  O     12.46259425      9.46153145    -11.23298588
  H     15.65275862     10.47529863    -12.94651583
  H     18.48547618      8.82551505    -11.77942254
  O     18.48409483      7.61463662     -9.02822337
  H     15.36428960     11.99377979    -12.90884264
  H     16.81411686     10.35357451     -9.28397957
  O     12.78481638      6.86223566    -12.41484434
  H     16.61026957      7.44598801     -8.99374845
  H     18.05504310      9.50922614     -8.94144201
  O     19.80674450     10.47400398    -14.18677708
  H     15.43664124      8.34041850     -9.46241215
  H     13.48171262      9.92231228    -16.99110725
  O     18.62368015      7.86917113    -11.75356178
  H     18.27060279      6.73394688    -17.23276684
  H     12.86774365     10.63928002    -18.20436222
  O     17.77275187     10.40008571     -9.18214752
  H     17.21705205      6.69336038    -16.10350787
  H     14.81413395     12.58071807    -14.93637488
  O     13.69055654     10.50191013    -17.74200820
  H     14.88574364      5.99186731    -15.40537033
  H     14.21973051     13.85874926    -14.29700372
  O     14.35260790     12.92674931    -14.14996722
  H     16.07287474      6.02008075    -14.43429620
  H     14.08217329      9.05102065    -14.95420138
  O     13.26325809      8.98458795    -15.46979942
  H     19.26092540      7.35224684    -14.93826807
  H     13.03061773      8.04901815    -15.46083293
          69
 Energy    -247.96109042147609     
  O     11.38622536     10.91680394    -11.25419743
  H     10.78691550     10.67267476    -11.97114492
  H     17.17169620      6.10838901    -15.50803262
  O     13.36882635      7.47944508    -15.19926472
  H     12.21474155     11.17673509    -11.67565199
  H     16.27401357     11.90606441    -14.59830989
  O     18.17756610      9.00101308    -16.87051933
  H     13.64988200      7.10767746    -16.04357335
  H     15.97375503     13.42281415    -14.55370334
  O     12.23090360      9.95786041    -14.74280286
  H     14.15848539      7.89898646    -14.81895226
  H     15.43587948      8.82809559    -13.11131268
  O     15.58448436      5.59547563    -10.10295206
  H     18.81529939      9.14891633    -17.56382917
  H     16.13710550      9.21853701    -14.42832004
  O     12.77836687      6.25582223    -12.78476666
  H     17.29490067      9.16211089    -17.25775410
  H     10.83660553      8.99026877     -8.77772539
  O     15.36401699      9.45951275    -11.39946450
  H     12.50658837      9.05647520    -14.96113261
  H     11.31353938      9.59206641    -10.12340593
  O     15.67603297      9.31858581    -17.77193383
  H     11.33960015      9.90655090    -14.37719285
  H     11.07953981      6.91343870    -12.28219266
  O     14.86706786      4.39150207    -12.42430737
  H     16.38528542      6.10087205    -10.29188524
  H     10.54934663      7.76173457    -11.10415887
  O     17.41549688     10.57102018    -14.70071236
  H     14.87827303      6.25037375    -10.01414900
  H     18.38540573      9.13993853    -11.82989230
  O     14.65955686      6.61916942    -17.51779330
  H     12.91347201      6.63581257    -13.66439499
  H     17.26489015     10.16161311    -11.72353670
  O     17.15040609      6.33149965    -16.44754352
  H     13.38880527      5.51196457    -12.70867197
  H     16.33580624      6.92428100    -13.83924667
  O     15.56456585     12.56349843    -14.49226826
  H     14.76067638      8.83739320    -10.96678408
  H     16.14300859      5.46036261    -13.34270642
  O     15.57005331      8.55026281    -14.02650571
  H     14.81145486     10.15932884    -11.77997054
  H     17.43244900      6.88701686    -12.07124291
  O     11.25595353      8.76922214     -9.60451681
  H     15.19735294      8.48324631    -17.78335912
  H     16.83275743      8.04165462    -11.23697536
  O     10.32908169      7.44675271    -11.98960806
  H     15.08032267      9.98519644    -17.39942873
  H     13.31395367     10.82461052    -16.01491692
  O     18.14538071     10.03453195    -12.09759716
  H     14.88795697      3.43914484    -12.38125066
  H     14.52298791     11.76834538    -15.93137164
  O     16.80016932      6.09135604    -13.66191774
  H     15.13451171      4.72057998    -11.54680790
  H     12.83525084      7.95218947    -10.03324437
  O     17.52182081      7.36565858    -11.23412866
  H     17.84581906     10.37826674    -13.85401785
  H     13.30783111      7.15594081    -11.28147651
  O     14.05025851     11.17914765    -16.52962216
  H     17.84939157     10.07491468    -15.40607140
  H     14.35047429     11.81867796    -13.27585800
  O     13.61224808      7.57212491    -10.46169177
  H     14.53910550      6.03055473    -18.25797345
  H     13.25495254     10.74508420    -13.45434147
  O     13.76578873     11.22716518    -12.78623229
  H     15.54760895      6.44119717    -17.15870215
  H      8.89567661      9.80467681    -13.58352869
  O      9.81746974      9.73714424    -13.35054338
  H     17.62219925      7.16803218    -16.54015767
  H      9.93796125      8.87434325    -12.91450166
          69
 Energy    -247.96087823766655     
  O     12.49248319      9.63485557    -10.97342152
  H     12.92566743      8.82392671    -11.26587087
  H     15.49650984     11.23587310    -12.88174703
  O     10.77602214      6.50107276    -12.52393894
  H     12.88271262      9.89443787    -10.12817552
  H     10.44798372      8.92036834     -7.39031796
  O     12.38061754     11.75434647    -12.68684536
  H     10.35088692      5.73486197    -12.89890274
  H     10.34978323      8.17353167     -8.74933939
  O     13.46965798     10.44365224     -8.52687551
  H     10.87462462      7.15210401    -13.24370095
  H     10.00224615     10.84455947     -5.65812083
  O     15.14705340      7.58306094     -9.72912211
  H     12.37219912     10.99682778    -12.08190062
  H     10.67403382     11.26062720     -6.97385998
  O     13.62655977     15.27447745    -11.26245951
  H     13.25930275     12.14554920    -12.60869628
  H     13.51167318      7.45709501     -6.63756576
  O      8.94501117     10.84961385    -11.50018518
  H     13.42136075      9.63111537     -8.00985811
  H     12.39457233      7.85016915     -7.63192325
  O     14.86642561     12.85854544    -12.09990273
  H     12.75688446     11.04145779     -8.26340360
  H     14.84111626     11.31719089     -9.19246283
  O     13.80314620     13.91689244     -8.74097443
  H     14.56866376      7.60701874     -8.95802838
  H     16.18877873     11.10543236     -9.89081300
  O     10.03325485      8.44096199    -10.58865596
  H     14.60341049      7.27892687    -10.46876909
  H     12.21548484      8.53682359    -14.44067261
  O     11.22727116     14.10862539    -11.68083357
  H     13.63083632     16.20164321    -11.48283498
  H     10.84096692      9.24818640    -14.36410914
  O     15.69892789     10.30611087    -13.04016351
  H     12.71970637     14.95136176    -11.41505006
  H      9.93600597     11.63957085    -14.74619482
  O     10.71615918      8.11701304     -7.85865205
  H      9.16181523      9.96975637    -11.16343085
  H     11.01358854     11.32292228    -13.68270623
  O     10.21422514     10.52961632     -6.53350392
  H      9.25458191     10.87345357    -12.41241430
  H      8.62419459     13.21214513     -9.47527790
  O     13.35981313      7.84832675     -7.49345538
  H     14.57917921     13.76490240    -11.93717089
  H      9.25382803     12.16146595    -10.41590220
  O     15.56904445     11.79388792     -9.62209822
  H     15.10854529     12.49962715    -11.23216593
  H     14.61912678      8.20823579    -15.05895711
  O     11.26358137      8.38133310    -14.39818414
  H     14.54820549     13.32569996     -8.90192564
  H     14.66204063      9.19891381    -13.87688993
  O     10.19986224     10.98894113    -14.10023266
  H     13.74816372     14.47594128     -9.52551915
  H     17.77364453      9.14377838    -10.46710637
  O      9.45722087     12.91256936     -9.83014451
  H     10.86286776      8.93592684    -10.68257575
  H     16.28442590      8.79749422    -10.24113924
  O     14.12470487      8.50522891    -14.29904977
  H     10.11922422      7.68441922    -11.18026738
  H     13.76164131      7.50529617    -12.77348653
  O     16.88914424      9.48111644    -10.58129780
  H     11.55941312     13.27831043    -12.04955170
  H     12.59123847      6.78275403    -12.05092669
  O     13.47125046      7.15761708    -11.91915017
  H     10.56612567     13.84939918    -11.02878537
  H     10.88376232     12.59514344     -8.69270638
  O     11.58099467     12.41619829     -8.04843721
  H     16.15154803      9.99327673    -12.24668721
  H     12.30800228     13.03247595     -8.22387771
          69
 Energy    -247.96078165381903     
  O     10.20153444     11.09418077     -8.81412544
  H     10.47637951     11.50372399     -9.65308343
  H     13.91389587     11.19206671    -14.20990188
  O     12.90703117      9.07170093    -15.85262596
  H      9.36053508     11.48003522     -8.58199856
  H     16.51961654      8.02940710    -11.02946587
  O     10.65712115      8.47238168     -9.93573626
  H     11.94617030      8.98093238    -15.81610570
  H     17.05594345      9.09450005    -10.03601606
  O     13.58455259      7.69503535    -13.53334855
  H     13.08357629     10.01176337    -15.73585282
  H     14.55332579      7.02941730    -12.15603374
  O     13.80994405     13.91902881     -8.39191450
  H     11.57838863      8.29817094     -9.69350504
  H     15.22367280      5.88143800    -11.37288132
  O     11.12016463      8.58873144    -12.61686862
  H     10.41531110      9.28883711     -9.48424142
  H     14.46681178     14.97869706    -13.73371458
  O     14.26932351      9.29470397     -7.07878790
  H     13.48082265      7.99667363    -14.44774308
  H     13.82255225     14.20629051    -12.56490699
  O     13.59579364     10.71577228    -10.82772436
  H     12.74210443      7.90877246    -13.10382060
  H     13.77895682      8.46842861     -8.65137969
  O     12.67138708     11.45494675     -7.43169887
  H     14.53315816     13.40258211     -8.79218961
  H     14.01677696      7.69294500    -10.00026513
  O     16.69478082     13.04723737    -12.05138657
  H     14.21839483     14.56517502     -7.82118135
  H     17.54595206      9.81632747    -12.14671991
  O     11.23141774     12.06009862    -11.13925658
  H     11.15297280      9.53742983    -12.79480264
  H     18.40401258     10.24265627    -13.36430322
  O     13.34158421     11.79530695    -14.71007720
  H     10.86694374      8.48479327    -11.68828254
  H     11.68860145     11.46649161    -14.11143993
  O     17.20594905      8.69219993    -10.90546717
  H     14.21028414      9.01396322     -6.16972017
  H     10.39728790     10.64552959    -14.36775683
  O     15.03106385      6.81592183    -11.33804756
  H     13.70846875     10.08711595     -7.16468043
  H     14.84965879     11.75617769    -10.02788432
  O     14.33273893     14.09954868    -13.38703382
  H     14.07185596     10.54388930    -11.65225683
  H     16.04588622     12.65319350    -10.44303834
  O     13.39980854      8.25151028     -9.51356405
  H     13.50692695      9.87622196    -10.35894904
  H     15.83303110     10.16745434    -13.17748266
  O     17.59567080     10.43657132    -12.89861854
  H     11.80368468     11.32874545     -7.83451381
  H     14.57365899      9.22981740    -13.32646014
  O     10.83725115     11.20953231    -13.72385736
  H     12.98039638     12.32546485     -7.70859200
  H     10.35285840      8.52968589    -14.28552072
  O     15.55728343     12.31785501     -9.67746795
  H     15.96155585     13.33012568    -12.61084823
  H      9.34541891      8.32525148    -15.43815241
  O     14.86832980     10.13859081    -13.18902554
  H     17.04384239     12.22829382    -12.42365926
  H     16.38423728     10.86366065     -8.86161117
  O     10.11348973      8.82794691    -15.17936802
  H     12.08111670     11.60408074    -11.01567799
  H     15.91643932      9.71959660     -7.95041965
  O     16.62829145      9.98342499     -8.54387045
  H     10.93934158     11.87068250    -12.04038674
  H     12.16890241     13.66589237    -11.12667429
  O     12.86249772     14.33822329    -11.09339596
  H     13.61248612     12.67478824    -14.41923059
  H     13.17389406     14.33390426    -10.18143877
          69
 Energy    -247.96068269126874     
  O     -2.55357768     -0.93488876      7.10185527
  H     -1.89073995     -1.54238813      6.73258918
  H      1.92103709     -4.22863935      2.78292215
  O      0.00372863     -0.89381505      3.98730932
  H     -2.32769821     -0.81135705      8.02057990
  H     -0.88637562     -1.70063398      1.19524081
  O     -1.99457093      0.71670111      2.90684124
  H      0.94723745     -0.94230857      3.78638969
  H     -0.62436405     -1.96101483      2.68660731
  O      0.87446164     -4.73937866      5.58390155
  H     -0.20082365     -1.50037748      4.71172044
  H     -2.58136134     -2.95981153      1.92852166
  O     -4.61463547     -2.45035991      5.83288265
  H     -2.50353668      1.02509541      3.67112763
  H     -3.96390584     -2.29768343      2.07036176
  O     -0.93746755     -2.73542558      5.82252573
  H     -1.25794755      0.21798278      3.28949335
  H     -0.03761003     -3.88118281      1.74053233
  O     -0.84069085     -6.07326526      3.61496277
  H      1.56472929     -4.45362698      4.96573572
  H      0.81039913     -4.58469340      0.69082228
  O     -5.83351267     -0.44951179      4.46246002
  H      0.32303508     -5.34346314      5.07510105
  H     -4.98007008     -0.44749575      2.83512713
  O     -0.71157917      0.03011600      0.46543278
  H     -3.98204642     -1.96817744      6.38131489
  H     -3.55108766     -0.10954025      2.32022959
  O     -1.39992444     -2.79228101     -1.61839746
  H     -4.12640501     -3.18585212      5.44415061
  H      1.55689469     -3.87804690     -1.75218414
  O     -3.93108666     -3.72916884     -0.65799960
  H     -1.64764588     -3.18323935      5.34195310
  H      0.20792635     -3.34739261     -1.21674238
  O      2.49748708     -3.93241792      3.49800772
  H     -0.22212327     -3.38437096      5.89852539
  H      2.39126260     -1.12679555      2.05854715
  O     -0.94329305     -2.38201592      1.87692396
  H     -0.83213932     -7.01610387      3.46659618
  H      3.39409132     -0.57966701      3.10277216
  O     -3.53050844     -3.15845198      1.98562571
  H     -0.36393622     -5.67349410      2.86915118
  H      1.66111185     -1.98041385     -0.05496681
  O      0.47755578     -4.68983262      1.58897165
  H     -6.74170246     -0.36100050      4.73797541
  H      1.02456266     -0.63031590      0.35447321
  O     -4.38572305     -0.53542424      2.07891927
  H     -5.46664777     -1.21516588      4.93999973
  H     -2.42216759      0.52196675     -2.58687636
  O      1.10629318     -3.61633706     -0.95337317
  H     -1.25124835      0.12196888     -0.32965588
  H     -3.13878308     -0.29277862     -1.48096282
  O      2.61732885     -1.12407755      3.00626748
  H     -1.17505691      0.45629033      1.19825648
  H     -4.35433487      0.69666149      5.01467455
  O      1.83480326     -1.15579984      0.41320088
  H     -2.22902653     -3.20165356     -1.34348422
  H     -3.10659006      0.47551004      5.88076090
  O     -2.26721675     -0.06514050     -1.85245932
  H     -1.61329477     -1.87201286     -1.81285569
  H     -3.19999574     -3.91714466      3.59646181
  O     -3.48108477      1.05784531      5.20821852
  H     -4.46387997     -4.50394601     -0.81748184
  H     -2.25410157     -4.96031948      4.23005599
  O     -2.86338518     -4.24257308      4.44370959
  H     -3.82832754     -3.65198505      0.30567067
  H     -4.49514676     -1.87193680     -0.76149707
  O     -4.55230752     -0.91092117     -0.69935780
  H      2.63504173     -2.98904631      3.35214740
  H     -4.59498408     -0.70034272      0.24403424
          69
 Energy    -247.96058183387811     
  O     14.01392132      9.65690676    -10.51604430
  H     14.73403458      9.93481168     -9.93625215
  H     12.87624826      8.29172813    -10.16699503
  O     13.40889406     10.64437439    -16.44414513
  H     14.04333904     10.20839495    -11.31058076
  H     18.66477107      7.87466536    -15.68714046
  O     17.00919584     10.52127254    -13.45571155
  H     13.39645862     11.45883503    -15.92592548
  H     19.94634840      7.33543035    -16.34203581
  O     13.60007045      5.09956607    -13.39714979
  H     13.17878253      9.93158418    -15.83431027
  H     14.83064657     12.90351991    -15.01653952
  O     16.42154639      7.53331853     -8.26177680
  H     17.45484357     10.14896970    -12.68458552
  H     13.63197835     13.85586994    -14.77665494
  O     16.48962734     12.50536785    -15.42934335
  H     16.06962761     10.59035624    -13.23327834
  H     13.89145531      8.08809591    -14.57462580
  O     15.60053571      7.71601097    -11.86433751
  H     14.21711525      5.55669464    -13.98042286
  H     12.51057405      8.17003156    -13.88778148
  O     14.24055969     10.80798405    -12.99533873
  H     14.10031732      4.89326626    -12.59462534
  H     14.98326565     10.57663930    -17.19656210
  O     17.85606562      9.22375260    -11.11361645
  H     17.17621653      7.16990506     -8.74194625
  H     15.87879088     10.67762152    -18.45495775
  O     17.88281432      5.41364681    -14.10128468
  H     15.68412469      6.91961696     -8.36139185
  H     10.78277974      6.52825298    -13.01099373
  O     17.94796986      4.89715618    -11.40079268
  H     16.85521780     11.94594533    -14.73114213
  H     12.29113933      6.18289990    -13.02009798
  O     12.45739659      7.42089463    -10.10629729
  H     16.43136597     11.94594467    -16.21413367
  H     13.61941813      5.46422565     -7.89677811
  O     19.39627602      7.24951241    -15.56729818
  H     14.93538915      8.25697626    -11.42207048
  H     13.46313038      6.41811741     -9.10563193
  O     13.88722280     12.93777099    -14.77480564
  H     16.44925277      8.13250056    -11.67031456
  H     14.78845592      5.13463382    -10.18644415
  O     13.14234827      8.67715513    -14.41251716
  H     14.03736598     11.61335395    -13.48612462
  H     15.35962430      5.97954637    -11.33622966
  O     15.90686427     10.59766307    -17.50550223
  H     13.83423882     10.07238646    -13.47702000
  H     18.49966776      6.15456243    -10.40563671
  O     11.64618619      6.88495733    -12.81743626
  H     18.32307767      8.46799943    -10.73147099
  H     19.58693401      6.67360555     -9.43722464
  O     14.10326937      5.87928434     -8.60562698
  H     17.40167187      9.66217240    -10.38107297
  H     16.01235958      7.59654646    -15.02755820
  O     15.16429030      5.06688399    -11.07189143
  H     18.51792057      5.95748361    -14.58775046
  H     15.51468459      7.26274912    -13.58805502
  O     18.74617008      6.89884999     -9.82577549
  H     17.01724612      5.75848697    -14.33726925
  H     16.31152526      9.20815870     -8.60286889
  O     15.42127887      7.01924915    -14.52429669
  H     17.01214944      4.72601613    -11.23840661
  H     16.46278156     10.69603204     -8.19023662
  O     16.28766396     10.12633247     -8.93382896
  H     18.03040199      5.01873058    -12.35860040
  H     16.75708673      9.40381469    -16.39442415
  O     17.12980013      8.87608298    -15.67774977
  H     12.12116174      7.22551433    -10.98804239
  H     17.15707749      9.44150184    -14.89126311
          69
 Energy    -247.96037602003048     
  O     -9.18220044      0.41224656      3.84685367
  H     -9.65431995      0.98255233      3.22600877
  H    -11.28830182      2.15187850      2.90798767
  O     -5.73964923      2.45623790      6.40432369
  H     -9.62452906      0.50028219      4.70406421
  H     -4.45544401     -0.04286856      4.62988718
  O     -6.81408571     -1.32542760      6.50306149
  H     -6.25486856      2.38458687      5.58564774
  H     -5.50347224     -0.49706313      3.59468407
  O     -8.38571750      4.81222797      5.19403935
  H     -6.38872058      2.53428910      7.11826506
  H     -9.97002278      0.40810861      6.91146827
  O    -12.35002009      1.91984514      4.36487905
  H     -5.94422773     -0.91460956      6.58480643
  H    -10.32165402      1.84680850      6.46268329
  O     -7.36338775      2.47713666      4.20024928
  H     -6.95240759     -1.46547011      5.55894010
  H    -12.71118191      6.47974040      3.00588689
  O     -7.84233113      2.42864916      8.19149511
  H     -8.03134015      3.96092013      4.89098418
  H    -11.45382728      5.63683064      3.27658870
  O    -10.15200683      3.61133111      6.91274212
  H     -7.69462273      5.46200319      5.01942080
  H     -7.91553150     -0.78822392      3.65785194
  O    -12.68854991      4.36481119      5.86291838
  H    -11.85725635      1.40389811      5.01573639
  H     -7.39909320     -2.12809951      3.08909011
  O     -7.47540844      5.79638189      1.75357448
  H    -12.58628823      2.73563708      4.82214977
  H     -9.14165279      5.33272469      2.28683707
  O     -4.09341129      2.29183680      2.42846020
  H     -7.96904499      1.73271720      4.11125962
  H     -9.46795058      4.92573384      3.72533084
  O    -10.54517957      2.30804226      2.30619861
  H     -7.09411455      2.74389198      3.31124033
  H     -7.18375416      2.53401530      1.10610206
  O     -4.66773734     -0.02431547      3.68841309
  H     -8.12036487      1.50704832      8.26292756
  H     -5.73271328      2.78621846      1.69235008
  O    -10.43838745      0.91242043      6.23502089
  H     -8.63189783      2.91819625      7.93170790
  H     -8.05415567     -0.70771548      7.54112170
  O    -12.30536307      5.91098739      3.65456655
  H    -11.03682353      3.91670530      6.67853599
  H     -8.87916442     -0.90129925      8.83524523
  O     -7.16532204     -1.40666191      3.66773643
  H     -9.53697345      4.12477088      6.36717413
  H     -4.81367129      0.98736295      6.52721679
  O     -9.85325083      4.98003195      2.83961399
  H    -12.58827784      4.96779728      5.10605730
  H     -3.62955772      0.16949721      7.09920580
  O     -6.62529837      3.14391464      1.60872031
  H    -13.48540763      4.62618584      6.31753028
  H     -4.77871612      3.68512565      5.32029723
  O     -8.74362847     -0.30840119      8.10112782
  H     -7.01443915      6.10880457      2.54128470
  H     -4.30007776      3.61430828      3.85287250
  O     -4.37368569      0.11854763      6.50583168
  H     -7.12414954      4.90872376      1.59008066
  H     -8.96014766      1.44811211     -0.44230989
  O     -4.47755744      4.22516793      4.57751866
  H     -4.28810448      1.44134008      2.86165332
  H     -9.36400806      1.82970904      0.98862432
  O     -8.60373631      1.60627728      0.42871604
  H     -3.25484487      2.18865757      1.98649912
  H     -5.74715899      7.12855100      4.58921434
  O     -6.18771753      6.33320021      4.30194400
  H    -10.28848851      3.23215924      2.43110388
  H     -5.53646881      5.61338995      4.37676215
          69
 Energy    -247.96032424966978     
  O     -4.09200844      0.89812005      0.22648894
  H     -4.60856775      1.69416024      0.13054104
  H      1.45204440     -1.87864681      3.82455875
  O     -3.49812843     -1.06723791      6.95907667
  H     -4.24263750      0.57618123      1.13245951
  H     -1.09682570     -0.99674051      0.81786199
  O     -1.78239700      0.15100989      3.64190351
  H     -2.68722508     -1.37980006      6.52801202
  H     -1.30858891     -1.03525593      2.34772037
  O     -4.34228373     -0.17437708      2.71279502
  H     -3.22230972     -0.67646145      7.78419024
  H     -1.86836283     -3.09267281      1.38426698
  O     -1.34713385     -1.91727159      5.43170821
  H     -0.95568636      0.64534752      3.57271164
  H     -3.31457258     -3.62734939      1.36148735
  O     -0.32899104     -6.02118290      4.61830808
  H     -1.67907186     -0.49795493      4.35377305
  H      0.58789947     -2.28060847      1.95605882
  O     -5.07454364     -4.03074311      4.20648901
  H     -4.85014278     -0.44516578      3.49286520
  H      1.99641656     -2.33509574      1.35510133
  O     -1.42218207      0.25804353     -0.52069799
  H     -3.44946191      0.02164420      3.03216942
  H     -5.14423764     -3.26544460      2.46184289
  O      0.96311679     -5.37498598      2.30237842
  H     -1.64648639     -2.73218364      5.00726767
  H     -4.67410363     -1.87161391      2.00553238
  O      0.29682428     -3.07780133     -1.36259451
  H     -0.40148662     -1.80902945      5.24982742
  H      3.11526098     -1.72899803     -0.91743589
  O     -0.65071646     -5.43626016     -0.07604084
  H      0.30801859     -6.29288366      5.27331441
  H      1.62987351     -2.13053415     -0.76146904
  O      1.20277283     -1.33528611      4.58427808
  H      0.17788045     -5.84824463      3.80558717
  H      0.93843180      1.06863120      2.32578741
  O     -1.05234442     -1.57460821      1.58902640
  H     -5.47025784     -4.79846737      4.61118793
  H      1.19731052      2.04941488      3.49024280
  O     -2.39173263     -3.90971434      1.35295315
  H     -4.11232407     -4.13386440      4.29691924
  H      1.61524521      0.03471167      0.27093242
  O      1.47831093     -2.62945505      2.11270505
  H     -1.56943089     -0.36717827     -1.24212589
  H      0.27157794      0.77267517      0.13052251
  O     -4.89068920     -2.75807612      1.68103432
  H     -2.29172813      0.59006730     -0.26212755
  H     -2.30455035     -1.82024966     -3.22528622
  O      2.34903396     -1.60676554     -0.36358395
  H      1.23931294     -4.44835382      2.28607251
  H     -2.93544091     -1.89824321     -1.81752335
  O      0.78210686      1.21846375      3.27486570
  H      0.50758493     -5.52256872      1.46628437
  H     -5.42694217     -2.21334129      4.79467636
  O      1.11491699      0.79097678      0.60171625
  H      0.05584708     -3.92601956     -0.97043491
  H     -4.83500968     -1.12666328      5.70785915
  O     -2.08980473     -1.83591520     -2.29582990
  H     -0.51955953     -2.70243799     -1.71342954
  H     -2.27585605     -4.16723154      3.18935276
  O     -5.42758376     -1.26268895      4.95408341
  H     -1.05615918     -6.21605888     -0.44662973
  H     -1.67583069     -4.90529167      4.41511178
  O     -2.31917771     -4.22961660      4.15245752
  H     -1.34454533     -4.96800824      0.42101348
  H     -4.42406653     -0.77915214     -0.63086226
  O     -4.42192330     -1.70367704     -0.91059480
  H      1.17820134     -0.43297415      4.24412364
  H     -4.71223192     -2.20327590     -0.13785112
          69
 Energy    -247.96012321791187     
  O     17.35474291      7.96424871    -14.03285873
  H     17.38418587      7.49492779    -14.87373912
  H     19.09178703     11.31674205    -14.13330298
  O     17.10114477     11.87747742    -11.62634372
  H     16.63884132      8.61724047    -14.11318426
  H     13.46595582     12.32707575    -15.31280107
  O     15.06667163     13.05299827    -15.29014278
  H     17.20004744     12.66285650    -12.17714973
  H     12.06583722     12.44429660    -15.95039466
  O     14.28481437      6.66769364    -15.84177424
  H     16.16153110     11.64228979    -11.66491489
  H     14.60663314      9.50466249    -14.69141881
  O     15.78547262      8.80895198     -8.39089843
  H     15.64426965     12.49386527    -15.82930890
  H     15.15223393     10.32463908    -13.49224187
  O     15.94294808      6.61211820    -12.06140260
  H     15.64948927     13.44464757    -14.63114090
  H     12.90374988      8.43959554    -11.97951939
  O     14.54519928     11.02199804    -11.90627377
  H     14.04179913      6.24197774    -15.01035348
  H     12.55479174      7.32130233    -12.95054172
  O     16.99411040      9.01605848    -18.09907269
  H     13.77820719      7.48988938    -15.87099062
  H     19.42171162      9.17201926    -11.22990189
  O     17.45749433      6.93289700     -9.81427889
  H     15.58956893      8.92768356     -7.46575768
  H     20.54007780      8.71327723    -10.26769973
  O     16.79483623     11.11555081    -16.30567457
  H     16.42711241      9.50104687     -8.63448434
  H     13.39184536      4.84620158    -12.92867174
  O     16.89521693      6.68209253    -16.52185691
  H     16.49453353      6.57354526    -11.26551729
  H     14.46046466      5.95394052    -12.79051053
  O     18.89592957     12.05015646    -14.72695671
  H     16.47875697      7.02200298    -12.75395169
  H     17.65623645     14.77516970    -13.57549455
  O     12.59669884     11.89397767    -15.38002861
  H     14.51287317     10.18016415    -11.42908644
  H     17.91450778     13.31708658    -14.02172377
  O     15.41664769      9.81851511    -14.27028913
  H     13.63091641     11.25992164    -12.10897008
  H     18.37705815      9.24124550    -13.20132578
  O     12.34395384      8.24033822    -12.74300273
  H     16.63848850      8.80051889    -18.95829478
  H     18.18012880     10.56908722    -12.38260745
  O     19.59282150      8.77883297    -10.35735992
  H     17.00413131      8.18697157    -17.59922468
  H     17.49561528     11.14781540     -9.95774322
  O     13.63085368      5.71598361    -13.23938918
  H     18.24018011      7.47009722     -9.99114608
  H     18.42012738     10.01226465     -9.47773877
  O     17.27540414     13.90092169    -13.57348476
  H     16.91425263      7.45314859     -9.20981203
  H     14.90835863      7.90217588    -11.23379445
  O     18.83853798      9.94496171    -12.72403268
  H     16.33164204     10.67356923    -15.57835218
  H     14.71127634      8.62095529     -9.87644135
  O     17.67383374     10.56249003     -9.20945234
  H     16.89300072     10.46053178    -17.00852950
  H     12.03042645     11.47956172    -13.61517260
  O     14.34652266      8.53580244    -10.76674948
  H     17.16091516      5.79872444    -16.76325253
  H     11.75789161     10.24751500    -12.72039181
  O     11.91418124     11.19774385    -12.69776215
  H     15.94327109      6.64601724    -16.31319286
  H     12.64383381      8.84642892    -14.45905633
  O     12.96021926      9.09273069    -15.34149978
  H     18.27803114     11.70493181    -15.38829628
  H     12.75405373     10.02700994    -15.47501759
          69
 Energy    -247.96010624873117     
  O     16.20536655     10.98773024    -15.62494430
  H     16.10319970     11.93601769    -15.57958231
  H     16.08052406      3.10481015    -17.71766488
  O     13.76739726      4.94982141    -15.87675211
  H     15.30994830     10.60655618    -15.54697083
  H     19.35461845      5.52656574    -15.70730211
  O     18.09535933      7.55205680    -11.96549027
  H     14.49149855      4.50365298    -16.33011061
  H     20.83257876      5.39581559    -16.14891684
  O     18.53688592      7.86261456    -17.41258332
  H     13.69964761      5.82095533    -16.29222270
  H     16.57641808      7.91090243    -14.78497546
  O     16.80068052      5.99476086    -18.82894566
  H     17.48531280      8.18948086    -12.36645173
  H     16.92703233      6.49116754    -15.34297813
  O     14.14087320      7.87621979    -10.16951923
  H     18.90762760      7.61717874    -12.48788932
  H     13.73969481      9.06673730    -15.91719914
  O     14.15021978      5.67409592    -13.27336035
  H     19.23965652      7.28283443    -17.09114943
  H     13.61374245      9.45368093    -14.43263170
  O     16.40212103      9.13655645    -13.38596267
  H     17.80169514      7.75703215    -16.78333791
  H     15.00838800      4.65221073    -10.20389272
  O     17.80331340      4.84188667    -15.19765749
  H     16.13997118      6.60541711    -19.17940274
  H     16.28923794      5.39410473     -9.78099404
  O     13.24027504      5.20447925    -10.71880019
  H     17.51333302      6.55212084    -18.49792666
  H     14.27345273      7.69293093    -17.82405689
  O     19.03213143      9.99267277    -15.50898570
  H     13.74796109      6.99438518    -10.20347881
  H     14.97532105      7.44917535    -16.46021441
  O     16.10253894      3.91149657    -17.20903801
  H     15.05389114      7.74143586     -9.88889614
  H     20.20578543      7.28478673    -14.51429570
  O     20.12907738      6.02663182    -16.01908960
  H     15.08925762      5.51292776    -13.11255280
  H     19.75978944      8.73977671    -14.28919947
  O     16.56674477      7.35625353    -15.57442004
  H     13.94672268      5.35464782    -14.16400278
  H     16.60038319      4.75935673    -11.82121631
  O     13.79681367      9.81682406    -15.30899764
  H     15.47829548      8.94624938    -13.16072660
  H     17.33122130      5.96572783    -12.45986207
  O     15.96775781      4.55906172    -10.14569180
  H     16.40590841      9.90127936    -13.96809794
  H     17.39607059      7.35974686    -10.32590321
  O     14.10817435      7.53712975    -16.88692388
  H     17.20707925      4.37919331    -15.80058833
  H     17.40906905      7.54052391     -8.79324945
  O     20.04884919      7.94048429    -13.82702172
  H     17.47897112      4.75362112    -14.28897331
  H     17.46667451      9.26728102    -18.15007721
  O     16.85190500      5.15199270    -12.66962457
  H     12.39201071      4.77026158    -10.68342748
  H     16.51250338     10.26309594    -17.45979050
  O     16.87985864      7.21222210     -9.51616097
  H     13.45706723      5.31807529    -11.66009666
  H     13.85102979      7.49016369    -13.11122062
  O     16.69753664      9.83230967    -18.30108680
  H     18.16881310     10.41644839    -15.52328208
  H     13.84524133      8.41073321    -11.87612315
  O     13.81812458      8.41982712    -12.84442054
  H     19.02595224      9.38562247    -16.25867425
  H     14.59528801      8.42759759    -20.30391453
  O     14.99150991      8.08808793    -19.50615440
  H     16.32953843      4.62781849    -17.82821680
  H     15.55979645      8.79355032    -19.14851052
          69
 Energy    -247.96008680268199     
  O     10.02667105      7.31559479    -10.46389526
  H     10.77444102      7.92505075    -10.39553053
  H     14.13111383      4.41490774     -6.27758770
  O     12.12359439      9.12644614    -10.31966540
  H      9.22251800      7.83245237    -10.33485415
  H      7.97867766     10.72661362    -13.21886952
  O     13.23978002      5.98533416    -12.52909097
  H     12.96727029      8.68277841    -10.47931273
  H      9.20571216      9.89087162    -12.78070447
  O      8.82139430      9.59801170     -7.63169460
  H     11.97923472      9.11795072     -9.36289806
  H     10.69313406      5.63997068     -7.55783720
  O      6.47488801      5.41241318    -12.41247228
  H     13.26357803      5.05240424    -12.28274664
  H     11.87390587      5.71560773     -6.56662010
  O      6.76554339      5.16054787     -8.16115728
  H     13.70502045      6.46979024    -11.83691537
  H      9.53538459      4.46690369     -9.51331922
  O     10.64595558      6.58803496    -13.04108816
  H      8.45380219      9.46578323     -8.52231603
  H     10.24869728      5.81802963     -9.59445488
  O      7.99152051      4.03636845    -10.46741518
  H      8.39124093     10.36881129     -7.26957086
  H      8.93750430      6.98569038    -13.64662576
  O     14.50532877      7.64778182    -10.56978059
  H      5.88333734      5.01044681    -13.04317917
  H      7.97661624      8.17165598    -13.41817573
  O     10.90916459      9.51695618    -12.83943851
  H      7.00784066      6.06195016    -12.90433941
  H      9.21575004      6.59064479     -6.55095947
  O     12.84141526      3.90315403     -9.12380501
  H      7.33437781      5.76345773     -7.65085742
  H      8.40469706      7.82557683     -6.97637351
  O     13.63690836      5.02821286     -6.81380682
  H      6.19315221      4.73145443     -7.53008471
  H     11.36520978      7.81222169     -7.32716101
  O      8.23552771      9.95518855    -12.72079929
  H     11.59326988      6.38575057    -12.98503124
  H     10.66873420      9.15884671     -7.56656692
  O     11.00892086      6.09420209     -6.75990286
  H     10.35815404      6.80655241    -12.13997265
  H      6.13464878      6.42832588     -9.41784715
  O     10.27165736      4.96191883     -9.13934853
  H      7.54988844      4.31188014     -9.65208568
  H      6.01935965      6.52146228    -10.94915254
  O      8.00560823      7.24242876    -13.67292113
  H      7.48937068      4.45910568    -11.17759833
  H     13.13282147      2.48531513    -12.40011450
  O      8.31925891      6.89339433     -6.74726074
  H     14.46005210      7.55679799     -9.60169320
  H     11.90358110      3.34338501    -12.02947378
  O     11.52723064      8.72097064     -7.62003467
  H     15.36614439      8.00807158    -10.76949994
  H      9.47607390      3.74717765    -11.73922026
  O      5.96570563      7.04591259    -10.14040987
  H     11.37730377      9.55989748    -11.99449740
  H     10.24819805      4.68468643    -12.69180869
  O     12.85810131      3.23128006    -11.87348589
  H     10.97607946      8.59908437    -13.12584640
  H      7.10134213      8.37782565    -10.11941456
  O     10.21641555      3.78123163    -12.35497815
  H     13.02066558      3.59071086    -10.01658662
  H      7.88798405      9.42627443    -10.98176187
  O      7.83320721      9.01521075    -10.11047860
  H     11.92651317      4.21893976     -9.15147558
  H     13.40130239      8.10220085     -7.64409693
  O     14.18305916      7.58824668     -7.87720694
  H     13.43265054      4.57184434     -7.65166504
  H     14.07536823      6.72315786     -7.46034339
          69
 Ord_Energy   -247.959961    
 O   -5.06044817      -1.15899920      -1.00971389    
 H   -6.00883389     -0.989573240      -1.16058779    
 H   -4.65409231      -1.24339783      -1.86758959    
 O   -7.71546412     -0.712187946      -1.24026179    
 H   -8.40039730      -1.37428904      -1.09226239    
 H   -7.91265249       2.68311407E-02 -0.647562325    
 O   -5.90983438      -3.25555849       4.60866547    
 H   -6.05164814      -3.19179344       5.56427717    
 H   -6.77287054      -3.46336460       4.22876263    
 O   -7.33004618     -0.978157759       2.35792470    
 H   -7.46744967     -0.221725449       1.77226329    
 H   -7.13139534     -0.626200497       3.23381829    
 O   -4.28183413      0.326649785       1.30208623    
 H   -4.28148890     -0.275295556       2.05518556    
 H   -4.47060871     -0.199834287      0.515134871    
 O   -5.59258699       2.67900920       1.22338545    
 H   -5.05749989       1.86589849       1.27538264    
 H   -5.06238270       3.33144832      0.774702668    
 O   -9.71644783      -2.30371809       2.13859653    
 H   -9.84330273      -2.44369245       1.19337177    
 H   -8.88363552      -1.81220794       2.23019814    
 O   -7.85084629      -4.63967896       2.10976996E-03
 H   -7.86187649      -5.34256649      0.660442650    
 H   -7.12601376      -4.05536413      0.267801702    
 O   -6.95433140       2.70555139       3.72061610    
 H   -7.88216352       2.62467861       3.46256471    
 H   -6.45492506       2.82988834       2.90365744    
 O   -10.4989939     -0.113281377       3.75420904    
 H   -10.3384285     -0.428739905       4.65555525    
 H   -10.4266653     -0.887278438       3.18400478    
 O   -9.30007076      -3.95963550       6.38873529    
 H   -9.05404282      -4.09391832       5.45788479    
 H   -9.89181709      -4.67018843       6.62206030    
 O   -5.13736582      -5.07867813       2.62388253    
 H   -5.21585655      -4.61564064       3.46808147    
 H   -5.23121643      -4.37851191       1.96118093    
 O   -7.94950438       1.23815334      0.728011608    
 H   -8.60940170       1.59805107       1.33558857    
 H   -7.16836929       1.80361247      0.792105079    
 O   -9.60145378       2.20677710       2.76285315    
 H   -10.3310146       2.82010436       2.76322103    
 H   -9.93545341       1.37808752       3.15409303    
 O   -9.65437412      -2.75297785     -0.656443775    
 H   -9.04836750      -3.49706268     -0.483164042    
 H   -10.3070755      -3.06626415      -1.27679896    
 O   -6.72767687      -3.00808907       7.21242142    
 H   -6.89468288      -2.06696200       7.35363007    
 H   -7.59867334      -3.40784144       7.09072685    
 O   -5.85367537      -2.93896890      0.974812865    
 H   -6.33606243      -2.29168177       1.50824153    
 H   -5.46349907      -2.44707370      0.242463812    
 O   -9.88826370      -1.14875650       6.23965549    
 H   -9.79698277      -2.10475612       6.32441521    
 H   -9.09527302     -0.778953612       6.64636517    
 O   -7.50849581      -6.35266733       2.26846838    
 H   -6.60439491      -6.00800133       2.38718081    
 H   -7.45802164      -7.29883957       2.37078905    
 O   -4.23363113      -1.23453379       3.75040674    
 H   -3.36913800      -1.43491411       4.10179090    
 H   -4.80912590      -1.97832799       3.99852991    
 O   -7.37365198     -0.244133055       7.23106623    
 H   -7.19199181      0.519483328       7.77234888    
 H   -7.02252817      -4.91746292E-02   6.34441566    
 O   -6.39725113      0.255716354       4.74664640    
 H   -5.53408718      -7.12596625E-02   4.46655989    
 H   -6.51716566       1.16254508       4.42395020    
 O   -8.49894810      -4.17941046       3.77224064    
 H   -8.25998688      -4.96681404       3.26856256    
 H   -9.00427723      -3.59551549       3.18927121    
          69
 Energy    -247.95982977098447     
  O      9.69517771    -10.92368505     -5.26902417
  H     10.28051050    -10.83949400     -4.50599793
  H      3.21181955     -9.79769250     -3.79623373
  O      7.53793707     -9.20179364     -5.36766376
  H      9.19559323    -11.73948377     -5.14208047
  H      4.22112234     -9.84971227      2.29949218
  O     12.77581990    -12.18240776      0.11568289
  H      6.91716966     -9.84104193     -4.99995759
  H      4.46244192    -10.28494250      0.83421002
  O      9.36452045     -8.12461885      0.50921625
  H      8.37510701     -9.68542313     -5.43436857
  H     10.31599657    -10.87943686      1.82560850
  O      9.22346519     -8.52578802     -2.23042963
  H     11.94685701    -12.45239609     -0.30027190
  H      9.45443358     -9.84060866      1.05239185
  O      7.19832475    -10.28109996     -1.59238911
  H     13.11160585    -11.45399095     -0.42253084
  H      8.02830807    -13.45507639     -3.91553185
  O     10.14584388    -12.30619313     -1.00578379
  H      8.44332374     -7.91098025      0.71725219
  H      7.94457484    -13.95617873     -5.37832578
  O      6.10426674    -11.22760058     -3.95896967
  H      9.41421769     -8.15764080     -0.45670446
  H     11.94876933    -10.20114121     -2.43874646
  O     13.35658729     -9.75668589     -1.29500249
  H      8.58077584     -9.22747746     -2.03814470
  H     10.51242192     -9.67795872     -2.68884818
  O      3.93164072    -11.15432921     -0.60196783
  H      8.76891822     -7.89308265     -2.79774326
  H      6.33486423    -11.01758873      1.34799989
  O     12.15902795     -8.54783573      0.83623823
  H      6.63110355     -9.49794568     -1.53619831
  H      7.85923931    -11.37548934      1.22232574
  O      3.91032794     -9.84403133     -3.14861129
  H      7.14025462    -10.74049876     -0.74857666
  H     12.39338581    -11.45961373      1.66577879
  O      4.88673273     -9.89159689      1.61804364
  H      9.89916464    -11.77300672     -0.23904728
  H     12.52017793    -11.28080678      3.19924991
  O      9.50916425    -10.77306405      1.30849462
  H     10.43878168    -11.69270187     -1.69564617
  H      6.20028020    -12.89687681      0.03039265
  O      7.92020950    -13.16909639     -4.84145938
  H      6.60424753    -11.94676425     -4.36353134
  H      5.46021424    -14.24281237     -0.15000493
  O     11.10375478    -10.43003477     -2.84437248
  H      6.56359189    -11.00822424     -3.13314633
  H      7.57901040     -6.21259532     -4.35906785
  O      6.96679623    -11.62835175      0.94733060
  H     14.17939028     -9.32175605     -1.50196138
  H      7.49136957     -7.75746095     -4.47722906
  O     12.06984049    -10.94696678      2.42880631
  H     12.94586953     -9.25137374     -0.57082116
  H      7.29216646    -13.69152326     -1.71663006
  O      5.72243354    -13.45013641     -0.61342310
  H      4.43108413    -11.96582056     -0.75404602
  H      8.80689275    -13.33311498     -1.75146556
  O      7.46955957     -7.00999843     -3.84936436
  H      3.83040640    -10.72839183     -1.46103621
  H      6.24251519     -7.63122908     -0.13342330
  O      8.09880427    -13.78074886     -2.23536640
  H     12.17627830     -9.24038708      1.50846188
  H      6.03419566     -8.41537698      1.16242261
  O      6.62088843     -7.77490688      0.74388650
  H     11.24539179     -8.23732108      0.79532135
  H      4.95021446     -8.44021458     -2.35730425
  O      5.65524778     -7.95522688     -1.91130358
  H      4.61878847    -10.38782153     -3.53618224
  H      6.20249877     -7.54263476     -2.59414851
          69
 Energy    -247.95979636307283     
  O     16.87501696      6.60200801    -12.74514433
  H     16.85696870      5.82731652    -13.31995342
  H     19.00002827      9.33594156    -14.07772787
  O     17.28686192     11.42463392    -12.31146930
  H     16.49513759      7.33201788    -13.25667326
  H     16.18718542     10.58188177    -17.42391208
  O     17.96014934     11.18010380    -17.02608785
  H     17.12505363     11.28042807    -11.36513338
  H     14.82344669     10.84658103    -16.76713784
  O     13.81810757      5.32278609    -13.78381658
  H     18.00317932     10.83315142    -12.57094081
  H     14.90323159      8.21197467    -14.64214899
  O     13.89853125     10.07125098     -9.10035562
  H     18.49614789     11.72519007    -17.59506357
  H     15.41024482      9.41524840    -13.81704135
  O     14.49830678      6.58718634    -11.29387617
  H     17.69751711     11.73362394    -16.26764926
  H     12.13365587      8.43133295    -14.34695845
  O     14.68022251     10.87348196    -13.00905862
  H     13.91796091      5.62820232    -12.87248413
  H     10.67336123      8.51193552    -13.87656627
  O     16.99396707      6.39105344    -16.60349142
  H     14.66947153      4.94989050    -14.04467817
  H     18.24268438      8.15781924     -9.66069851
  O     15.13819829      7.48499826     -8.76610291
  H     13.17124270     10.49626805     -8.65327221
  H     18.50438761      8.26685739     -8.14052242
  O     18.10448717      8.80725348    -15.55646157
  H     13.55255790      9.74462491     -9.94836038
  H     17.15216197     12.32822100    -13.99604428
  O     16.46364226      4.58731952    -14.64481323
  H     14.66810340      6.75079158    -10.35424145
  H     16.07141914     12.56811660    -15.07599787
  O     19.37108757      9.72053804    -13.26727148
  H     15.36617301      6.56408106    -11.72021494
  H     19.14906119      8.45894462    -11.85661355
  O     15.26937587     10.28626998    -17.41459946
  H     14.19567644     10.30177846    -12.39976607
  H     18.19841204      7.26462536    -11.71447732
  O     15.69555176      8.60526368    -14.25500797
  H     15.54697041     11.08852475    -12.63529541
  H     15.68096914     10.66094419     -9.50155942
  O     11.54128673      8.87544392    -13.71791029
  H     16.23316545      6.77597279    -17.05620787
  H     17.07555893     10.02713387     -9.38682288
  O     17.83946098      8.40565335     -8.80933940
  H     17.54230980      7.13532092    -16.32576990
  H     14.89882434      8.61203119    -17.66051884
  O     17.02364831     12.58620451    -14.91760963
  H     16.07838960      7.70393498     -8.73022189
  H     14.40938795      7.53239251    -18.65496926
  O     18.85151797      7.79036957    -11.23002317
  H     14.67907513      8.33103542     -8.70361390
  H     12.53151945      9.00300043    -12.22869616
  O     16.60317300     10.78482106     -9.75474378
  H     18.12603599      9.57151585    -16.14693420
  H     13.63992086      8.17568531    -11.50305553
  O     14.70721586      7.66138711    -17.75832095
  H     17.21641057      8.77909841    -15.16401704
  H     13.44133872     12.55613318    -15.42642153
  O     13.21118191      9.04296764    -11.54133035
  H     16.86011890      3.74543707    -14.85120498
  H     14.27713101     11.61031377    -14.53664945
  O     14.23984312     12.03486494    -15.41161128
  H     16.66301604      5.18321671    -15.38901991
  H     13.68799147      7.44470521    -16.20110949
  O     13.34065175      7.51979122    -15.30508673
  H     20.23305891     10.06077361    -13.49592164
  H     13.44655940      6.66928447    -14.84724973
          69
 Energy    -247.95975479171881     
  O     17.81331740      8.63409834    -14.79539812
  H     17.92892340      9.43799984    -15.31493951
  H     11.86393453     11.01960925    -11.33284031
  O     18.05393165     11.16147401    -15.96034485
  H     17.16358071      8.83919636    -14.10178797
  H     18.89620543      3.57680072    -10.11770204
  O     12.40437609      7.57344121    -11.62997122
  H     18.51037140     11.54558510    -15.18978149
  H     18.00175350      3.91573281    -11.33384716
  O     16.29066760      6.39325079    -15.27964866
  H     18.49630383     11.49206454    -16.73766278
  H     15.07044242      6.51742765    -11.62133125
  O     19.47899974      8.01961136    -12.66405366
  H     12.29021909      8.53013799    -11.68170623
  H     16.11591005      7.13984864    -10.66612817
  O     19.63973017     10.45908337    -11.47532540
  H     13.27341299      7.43624282    -11.23432367
  H     19.69651557      4.92930032    -12.22302310
  O     17.84529042      6.97374782    -10.52884866
  H     16.89455381      7.14437129    -15.19306717
  H     19.45571005      5.02207900    -13.74092199
  O     12.26100258      5.94580916    -13.78656455
  H     15.43141049      6.76064535    -15.53739674
  H     16.39478942     14.25923539    -12.62524511
  O     15.58480139     12.17169041    -14.86757720
  H     18.97733342      8.22838082    -13.46399101
  H     16.21939405     12.97734553    -13.47777367
  O     13.81855393      7.54106546    -15.59170532
  H     19.80977423      7.11719126    -12.78063218
  H     17.46518524      5.04502007    -15.17468195
  O     13.85158141     10.04635179    -14.20223322
  H     20.36371736     10.48764131    -10.85478320
  H     18.32019464      3.93602572    -15.82275639
  O     12.49157712     10.41336796    -11.71744569
  H     19.65247326      9.57235292    -11.87524465
  H     15.73688990      8.44735710    -12.23515457
  O     18.68376051      4.27060919    -10.73567587
  H     18.14221120      6.05556126    -10.48352253
  H     16.34648129      9.87265240    -12.23712670
  O     15.19397373      7.21744804    -10.96242307
  H     18.36298563      7.38177399    -11.23330935
  H     18.37677881     12.72711734    -13.32239636
  O     20.01066208      5.36067351    -13.02788518
  H     11.43886073      5.46504566    -13.82155293
  H     19.40040842     11.63183225    -12.96561591
  O     16.67906789     13.35313269    -12.70431256
  H     12.20849766      6.54239326    -13.01798043
  H     16.80966166     11.95132582    -11.52556021
  O     18.12311610      4.35473998    -14.98838416
  H     14.90726221     11.49083935    -14.76596968
  H     17.85864638     10.90153795    -11.05540758
  O     16.05299556      9.15323164    -12.81178879
  H     16.30722733     11.78091972    -15.37349672
  H     13.99007580      5.42564345    -13.30080974
  O     19.10460119     12.20484843    -13.68322157
  H     13.18709771      7.01119312    -15.08983639
  H     15.42901037      5.76661311    -13.76323444
  O     16.91787939     11.11953157    -11.04409827
  H     13.74475960      8.43798049    -15.24188139
  H     15.39733241     10.41211640    -10.19275320
  O     14.91542474      5.40421314    -13.02727427
  H     14.64262485      9.70067932    -13.75929354
  H     14.78999828      9.00165042    -10.08557488
  O     14.57559664      9.93782585    -10.00588453
  H     13.24020581     10.25198237    -13.48525108
  H     17.32651399      3.57878223    -13.42953549
  O     16.87890352      3.44835030    -12.58380306
  H     13.22274441     10.32739747    -11.07998246
  H     16.09211744      4.00791922    -12.62794022
          69
 Energy    -247.95958560611737     
  O     20.63262310     13.01386976    -18.61398674
  H     21.06072776     13.77492699    -18.19311728
  H     15.48020451     11.08749847    -13.31482544
  O     18.14815307     18.14815300    -13.42419425
  H     21.27115796     12.64589069    -19.22157884
  H     22.12164401     14.88472942    -15.58398142
  O     15.93086667     14.17058109    -13.27733725
  H     18.99054624     17.68067614    -13.34364717
  H     21.71171483     15.28896011    -14.15392469
  O     16.62676907     12.59366085    -17.34297261
  H     18.10491775     18.45377559    -14.33682972
  H     18.87173856     12.72729387    -13.25430416
  O     17.07005816     10.11384520    -12.82328256
  H     15.99242770     15.00883418    -12.80176338
  H     17.86795324     11.76962633    -12.55271803
  O     14.88654681     10.68310296    -16.30834911
  H     16.72772590     13.66865545    -13.05020810
  H     18.07929628     10.09568249    -15.95421947
  O     21.81258694     15.33080233    -17.51823679
  H     15.94854048     11.94711076    -17.11046173
  H     16.56175058      9.82313100    -15.85642733
  O     16.47484647     16.58193795    -11.95744314
  H     17.47506781     12.21214096    -17.07564370
  H     16.00063537     16.54085722    -16.78785151
  O     19.97379220     13.01311239    -14.65015783
  H     17.25685185      9.86827175    -13.74690993
  H     16.58581735     17.09330087    -18.10766257
  O     18.01852597     13.94314456    -19.35942666
  H     17.14061694      9.31641435    -12.30564342
  H     19.92314230     15.86339819    -12.61444454
  O     19.69122327     17.08164581    -17.57065249
  H     14.77873324     11.04289104    -15.40887451
  H     19.69119929     15.96094075    -14.14241000
  O     14.81431143     11.61927486    -13.76884175
  H     14.05694863     10.27871861    -16.54583178
  H     17.34905992     18.42622465    -16.52151779
  O     22.20696478     14.62784101    -14.65965386
  H     21.12103877     16.01306754    -17.53819898
  H     17.91352685     19.85836941    -16.34622424
  O     18.18378318     12.68070304    -12.57476249
  H     22.62158724     15.75989299    -17.78995168
  H     18.69445892     14.20349360    -11.58220596
  O     17.41473947      9.58911066    -15.46973053
  H     15.99917595     17.13146135    -11.34005836
  H     18.07051599     15.59360026    -11.36616390
  O     16.20129142     17.35925453    -17.26371446
  H     17.01280824     17.18113165    -12.50464007
  H     19.66093412     11.83326960    -17.43361560
  O     20.25684207     16.28039005    -13.42439862
  H     20.87184935     13.35016351    -14.53588007
  H     19.45380795     11.89999285    -15.91490245
  O     18.10328243     18.93913280    -16.17655354
  H     19.47796060     13.75734913    -15.02788458
  H     17.79389295     15.20574044    -15.67053145
  O     18.90270874     15.10878156    -11.31549872
  H     17.42595629     13.46953591    -18.76014781
  H     19.04697114     15.84362368    -16.31918584
  O     19.12282158     11.47305211    -16.72068514
  H     18.90597063     13.61113769    -19.18153472
  H     17.81719963     15.62896377    -19.52768755
  O     18.75467575     15.27143178    -15.60178955
  H     19.09530283     16.94951559    -18.32156969
  H     17.60374508     16.85488515    -20.44894508
  O     17.76992416     16.60242605    -19.54507245
  H     19.32195234     17.81076350    -17.05471157
  H     16.15810674     14.10740621    -16.44348567
  O     16.02721074     14.91798015    -15.93216201
  H     15.02428148     12.53948041    -13.56386972
  H     15.87753717     14.66251220    -15.01106303
          69
 Energy    -247.95956470899557     
  O     -2.37351976      0.82945351      3.47839632
  H     -2.52978491      1.10233449      4.39273176
  H     -2.20182042     -2.61053157      7.85021978
  O     -1.33161442      3.96705365      6.05571105
  H     -2.68631173     -0.08178908      3.39679852
  H      0.07006281     -0.56195537      6.73093556
  O      0.87180155     -0.70172027      1.14396432
  H     -1.18340295      4.06318215      5.09771522
  H     -0.98530582     -0.66694769      7.86440622
  O     -1.39403813      0.00156433     -0.43272785
  H     -1.58364511      4.82688737      6.38147619
  H     -3.30470719     -3.44147455      6.10592369
  O     -3.04282598     -1.84946313      3.40913586
  H      0.71174559     -0.28901037      2.00672340
  H     -1.81397764     -3.63684938      5.75356035
  O     -2.28757666     -2.26528461      0.75671835
  H      0.14260827     -0.43681187      0.56619003
  H      0.47353265      1.56669351      7.23946259
  O     -0.75346753      4.12915601      3.42378918
  H     -1.82031674     -0.78828480     -0.05482447
  H      0.20526267      2.98603505      6.69356472
  O      1.73270989      2.95340841      3.55003476
  H     -1.50995638     -0.05026300     -1.37795634
  H     -3.80619486      0.25191493      6.83077228
  O      1.50952271      2.14108618      0.94682104
  H     -2.24039139     -2.26640807      3.75525690
  H     -3.61920987     -0.94404109      7.78457033
  O     -0.71922736     -3.12932460      4.30628556
  H     -3.76042530     -2.07797804      4.01246331
  H     -0.59547290      0.61596096      3.59745003
  O     -4.85461507     -2.50330785      5.42636733
  H     -1.50231816     -2.79105860      0.94916417
  H      0.77987812      1.34801752      3.66254947
  O     -2.14708951     -1.93635700      8.55150666
  H     -2.71778464     -2.13047344      1.61254422
  H      0.86355296     -3.93920192      1.23129051
  O     -0.48223315     -0.04018533      7.33030038
  H     -1.08901392      3.70375813      2.62781700
  H      0.57656014     -2.43817556      1.46337803
  O     -2.44630384     -3.67088518      6.48313092
  H      0.17350540      3.85248370      3.48943149
  H      2.46216348      2.29647870      6.24375211
  O      0.90678410      2.39130572      6.98295316
  H      1.93691094      2.71635826      2.63231485
  H      3.90480873      2.85095705      6.21146189
  O     -4.24975214     -0.53245868      7.18052986
  H      2.46338525      2.72128869      4.13146961
  H      4.58403279     -0.78267916      5.58347146
  O      0.36116854      0.47968680      3.62561974
  H      1.59509789      1.18913431      0.83150257
  H      3.61891746      0.39436817      5.79559378
  O      0.25067983     -3.33636339      1.64465162
  H      0.55738768      2.29729380      1.02393061
  H     -1.48288564      1.62423286      0.58189382
  O      3.32302287      2.22382152      5.78933590
  H     -0.05267799     -2.59444389      4.76252389
  H     -1.81488660      1.83561468      2.05742373
  O      3.68235622     -0.57235440      5.81385388
  H     -0.35963984     -3.33726488      3.43560225
  H     -1.81089939      0.92166313      6.54174212
  O     -1.38581650      2.26174614      1.29971005
  H     -5.77470915     -2.74514601      5.48208107
  H     -2.24410299      2.36956071      6.19514780
  O     -2.53309150      1.44882179      6.16808794
  H     -4.71845779     -1.76157123      6.04362310
  H      2.00761538     -1.25236218      5.64153898
  O      1.06704325     -1.37622949      5.45965363
  H     -2.13456860     -2.40316484      9.38253435
  H      0.83321823     -0.71459253      4.78760449
          69
 Energy    -247.95953860735003     
  O      9.89470864     11.58333173    -10.58645140
  H      9.82167315     11.46181563    -11.53909316
  H     12.61195731     13.12352685    -12.85260167
  O     13.17005210      7.43002604    -16.13419864
  H     10.30535683     12.44709038    -10.43453611
  H     16.24720708     10.04762288     -9.10402274
  O     11.42251479      7.73916480    -10.22598183
  H     12.21062387      7.50080028    -15.97935658
  H     15.79214807      9.12648968    -10.24281061
  O     13.87884485      8.27887271    -13.53873654
  H     13.30345824      6.67767937    -16.70360260
  H     13.98919733     14.31542201    -11.65597461
  O     12.67407328     13.62367547     -7.56586097
  H     11.03779901      8.38393967     -9.62089681
  H     13.41604591     15.57078960    -12.35762244
  O     13.22248457     10.29391644    -16.36053706
  H     12.37544777      7.89846725    -10.23531699
  H     13.90179008      9.44570091    -10.74445157
  O     11.14482277      8.47662940    -12.85541269
  H     14.23973529      9.15883284    -13.72111981
  H     14.12136232      8.25656782    -11.71112043
  O     13.49686694     11.23586709    -10.64905672
  H     13.75586591      7.84861044    -14.39318537
  H     16.79712085     10.76616624    -11.36105067
  O     12.68526975     10.90929732     -8.07261953
  H     12.60571813     12.65754097     -7.64731400
  H     17.81544219     11.34499766    -12.36977396
  O     15.33036858     13.39530154    -10.96598950
  H     12.25380332     13.86180009     -6.74267807
  H     10.43882480     10.09732547    -13.13099548
  O     10.22037982      9.79131808     -8.61484044
  H     13.85709402     10.58027537    -15.69249590
  H     10.10003219     10.99542954    -14.33942286
  O     12.59272349     12.18984415    -13.09292144
  H     13.30929430      9.33344203    -16.41036292
  H     15.57543609     12.46761256     -7.90300896
  O     16.49366964      9.74120208     -9.98368238
  H     12.07870163      8.44890071    -13.10239117
  H     14.55007601     13.61267938     -7.96942854
  O     13.17671660     14.71396972    -12.01473094
  H     11.09574958      8.15053767    -11.94618495
  H     15.53846083     11.04575188    -13.45351664
  O     14.13191233      8.50447338    -10.77592158
  H     14.19854365     11.89769017    -10.64179947
  H     14.03950236     11.37830481    -13.70507042
  O     16.89580366     11.37166989    -12.11783961
  H     12.96002222     11.45228813    -11.42093090
  H     10.21860599     11.16505778    -16.94750693
  O     10.13839586     10.98806105    -13.37495830
  H     12.92154380     11.05060526     -9.00458621
  H     11.49201747     10.65125910    -16.23875508
  O     15.43791820     13.35712840     -8.25126067
  H     11.83000519     10.46188624     -8.08248745
  H     15.55157878     10.12652218     -6.65506933
  O     14.79143933     10.85851780    -14.03194891
  H     15.50538637     13.45491629    -10.01360702
  H     14.42154024     10.59795714     -7.59546983
  O     10.52407536     10.72244306    -16.16011766
  H     15.98817560     12.81776514    -11.37182116
  H     11.71339649     13.95598818     -9.21384833
  O     15.38324238     10.60858181     -7.46142215
  H      9.37171883      9.59541779     -8.22805578
  H     11.85737588     14.31588676    -10.70271004
  O     11.24000976     13.95893264    -10.05356880
  H     10.06026488     10.42603827     -9.33924564
  H     10.38621136      8.80696593    -15.83678013
  O     10.56257944      7.90689647    -15.53687937
  H     11.67925480     11.90147356    -13.21819923
  H     10.59511571      7.96035596    -14.57094490
          69
 Energy    -247.95927660067321     
  O     -7.63083737     -2.23366260      5.78628518
  H     -6.73355913     -1.90119321      5.91004707
  H     -6.69522745     -0.47813927      3.04605061
  O    -10.08012652     -1.69225708      2.84704519
  H     -8.22222896     -1.47032104      5.76739442
  H     -4.50940922     -1.35562159      5.07029125
  O     -8.13108864     -3.68521677      3.55690836
  H     -9.96123662     -1.14502128      3.63384925
  H     -4.25515574     -1.80343263      6.52956958
  O     -6.14000371      1.15017704      0.05793236
  H     -9.53373033     -2.47169910      3.00004519
  H     -1.29420137      2.93729583      0.03732996
  O     -5.45150714      1.33782239      5.51005991
  H     -7.95647218     -3.23569489      4.40425759
  H     -2.41377029      3.58170834      0.89105352
  O     -5.42569658      5.60659174      0.48188879
  H     -8.25738992     -4.60878383      3.75535778
  H     -9.12931995      3.65618220      4.59543786
  O     -4.01129637     -1.27416034      3.40074929
  H     -6.43261253      0.28011650     -0.24149692
  H     -7.83788792      4.35446058      4.12302587
  O     -4.74076013      3.39361518     -0.94568619
  H     -6.87361471      1.52525793      0.55866405
  H    -11.17876318      2.48415681      3.39366322
  O     -9.25964267     -0.02495383      4.99673927
  H     -6.04808104      1.79537358      6.12232575
  H     -9.70292494      2.28243842      2.99934925
  O     -7.25777044     -1.38343005     -0.43804567
  H     -5.21507638      0.47859154      5.87674151
  H     -6.61870898     -1.94249045      1.23024232
  O     -3.81951681      0.97962246      1.66123387
  H     -5.22473237      4.84649505     -0.09342105
  H     -6.94270345     -2.71290756      2.54945230
  O     -7.01829018      0.34619179      3.42923767
  H     -5.56857079      6.35566735     -0.09009130
  H     -9.23268345      0.62346641      0.90153833
  O     -4.88481152     -1.35644268      5.97001076
  H     -3.79044181     -0.49994486      2.86857136
  H     -9.75988541     -0.76470482      1.35078843
  O     -2.20985704      2.84603451      0.28546129
  H     -4.71294553     -1.72430012      2.90882094
  H     -7.41370791      3.23524202      7.80661429
  O     -8.37285689      4.16861506      4.90492108
  H     -5.26026967      2.60589283     -0.73890878
  H     -7.61374746      3.35548300      6.28555087
  O    -10.30009849      2.38870453      3.75520738
  H     -3.83305940      3.18357822     -0.69277117
  H     -3.49689631      4.26787230      2.66882124
  O     -6.33632977     -2.08007712      2.14227656
  H     -9.74198367      0.79595580      4.85787833
  H     -3.81067300      5.24599471      1.52284177
  O     -9.46875115     -0.25261406      0.57938510
  H     -8.44663436      0.07445634      4.47552590
  H     -4.27862672      2.25737112      2.87821849
  O     -7.18132412      2.82687291      6.97747798
  H     -8.11522263     -1.02734230     -0.13751764
  H     -4.74960200      2.49332588      4.32960584
  O     -3.08419151      4.79543895      1.97018400
  H     -7.42280569     -1.87276980     -1.23891309
  H     -7.83374683      1.42460637      2.38092174
  O     -4.53257558      2.94894748      3.50544282
  H     -3.15803700      1.48416265      1.17057014
  H     -7.83488629      2.92218141      1.96454558
  O     -8.27005573      2.07265396      1.79898012
  H     -4.61796769      0.96523854      1.11565673
  H     -6.01489315      3.79720245      2.91788109
  O     -6.77991039      4.25222938      2.53354994
  H     -6.38912888      0.66965796      4.08742797
  H     -6.43147699      4.83327436      1.84702306
          69
 Energy    -247.95924091803300     
  O     10.82634465      9.00669761    -13.57275734
  H      9.89933666      8.80259040    -13.66037750
  H     18.37290973      9.84559212    -14.10476760
  O     17.08807119      8.42135854    -14.61805821
  H     11.29571922      8.15584990    -13.50081726
  H     12.90773400     13.73868242    -11.89010841
  O     15.93684867     11.96090044    -12.12507714
  H     17.06028729      8.71504701    -15.53904118
  H     12.86779825     12.20459652    -12.08050871
  O     14.11305506      8.35281460    -17.04357024
  H     16.34048382      8.85089932    -14.17039155
  H     15.34471962     10.55551214    -13.18131439
  O     16.81809518      6.88017170    -10.45869290
  H     16.56181110     12.44649782    -12.67796868
  H     14.58904335      9.30852361    -12.69103423
  O     15.78266843      5.88288166    -14.42151648
  H     15.09488850     12.43639357    -12.13082601
  H     12.90953053      6.47186992    -12.84096632
  O     14.07790406      8.85960916    -10.96702435
  H     13.59289963      8.98649589    -16.52763791
  H     12.60401022      6.42702604    -14.35447345
  O     17.87340048     12.99598870    -13.87639198
  H     14.97925778      8.75541409    -17.16630190
  H     18.15234242      7.50921738    -13.37423322
  O     17.97549410      4.48248950    -13.42184072
  H     17.45240053      6.82905875    -11.18522603
  H     18.59138664      6.10213372    -12.90099392
  O     16.22608605     11.99316039    -15.98856885
  H     16.74988093      7.82064274    -10.25819930
  H     13.10570784      5.40216830    -16.64774595
  O     16.70280918      9.59293809    -17.09036932
  H     16.19888764      6.73533150    -14.59955981
  H     13.70122703      6.81439879    -16.42029232
  O     18.93315796     10.52153064    -13.70916015
  H     15.02350906      5.80980708    -15.01458628
  H     16.46043628     10.60890148    -10.95373182
  O     13.36185167     13.01291249    -12.30956300
  H     14.15581697      7.92089676    -11.18407593
  H     17.64749371      9.68388928    -10.64528794
  O     14.98608799      9.70737918    -13.47549848
  H     14.94026017      9.15633175    -10.64562541
  H     19.25697804      8.38060008    -11.69548958
  O     12.24661134      6.70455351    -13.50204589
  H     18.34638126     12.14476808    -13.82996278
  H     20.16795546      9.09175746    -10.66731510
  O     18.63185416      7.04249823    -12.67658384
  H     18.53417666     13.68204558    -13.90875692
  H     13.24657029     11.84848491    -15.30570720
  O     13.49119338      5.96773657    -15.98444019
  H     17.16206321      4.82375074    -13.82670630
  H     13.54552249     12.90924708    -14.23462740
  O     16.70664673      9.80671835    -10.47019579
  H     17.72713497      3.68258310    -12.96405723
  H     15.29831646      6.32122457    -11.27438055
  O     19.41673376      9.22546470    -11.23974307
  H     15.33241879     12.29595854    -15.76958113
  H     14.95794587      6.09771288    -12.75603815
  O     13.68794722     12.69747591    -15.16400941
  H     16.81416929     12.42587326    -15.36127231
  H     11.56920703     10.18852833    -12.28816381
  O     14.55447046      6.25382724    -11.89191170
  H     17.20829218      9.72379768    -17.88776953
  H     12.72436370     10.07114600    -11.27984634
  O     12.10791283     10.70285806    -11.67561891
  H     16.51680184     10.47912179    -16.72602365
  H     13.59769558      9.92182268    -14.63638693
  O     12.84907475     10.02866009    -15.24384304
  H     19.19984915     10.17488333    -12.84834972
  H     12.06500167      9.73461467    -14.76556177
          69
 Energy    -247.95914047469125     
  O     -6.23918900      2.60615018      0.00601548
  H     -5.36621952      3.02335871      0.03591895
  H     -2.49926737      0.97889316      4.36712111
  O     -4.75164174      2.64746639     -4.03306953
  H     -6.61797227      2.83288263     -0.85275659
  H     -0.23735390      2.53683462      2.30271745
  O     -6.53841923      1.80521161      2.74827587
  H     -4.76617777      1.73504003     -4.34594376
  H     -0.87228726      2.33736154      3.68643380
  O     -3.89883296     -1.05013817     -0.16398409
  H     -3.93382835      2.74060906     -3.52609812
  H     -3.22425895      4.19607692      0.64600325
  O     -4.95203482     -0.19477755     -4.49401808
  H     -6.88734054      0.91010997      2.66517391
  H     -3.34327103      2.68731668      0.36634674
  O     -6.50408244     -0.15034197     -0.22438849
  H     -6.55432776      2.18875865      1.86167038
  H      0.93955464     -1.95455758      0.92437843
  O     -2.90518956     -0.19079127     -2.58728452
  H     -3.50956849     -0.90420179     -1.03637558
  H     -0.38544834     -1.44295549      1.52360947
  O     -2.53330537      2.58839542     -2.31398681
  H     -4.82580202     -0.77629602     -0.23886590
  H      0.19137302      1.77653954     -0.08082102
  O     -1.40324275     -1.45743145      2.94745840
  H     -5.76321592     -0.14032896     -3.95690045
  H      0.26756070      0.50794764      0.81778087
  O     -0.20348966     -0.60286580     -1.99568806
  H     -5.17466356     -0.68286722     -5.28184052
  H     -6.99683567     -0.09693038     -2.00808921
  O     -4.29629909     -1.54681327      2.56390926
  H     -6.39134208      0.80616794     -0.11303926
  H     -7.28173616      1.12526447     -2.89287782
  O     -1.59223430      0.82641236      4.68707131
  H     -6.85038601     -0.49928153      0.60525983
  H     -3.50215724      1.25495172      2.57275133
  O     -0.61647312      3.01582817      3.05223671
  H     -3.55257765     -0.30956155     -3.29330172
  H     -4.85986350      1.46748183      3.30613056
  O     -3.63113077      3.55717104      0.04441558
  H     -2.81653275      0.76420199     -2.45452126
  H     -6.12602745     -1.35201970      2.52613928
  O      0.21576198     -1.35371210      0.76358890
  H     -2.89570800      3.03540619     -1.53552434
  H     -7.60481674     -1.67624950      2.83339998
  O      0.05509308      1.45055870      0.81771314
  H     -1.57413163      2.56877074     -2.21739712
  H     -1.76724184      1.22690211      0.93250862
  O     -7.13168247      0.17232155     -2.92694274
  H     -1.34968317     -0.72423612      3.57343708
  H     -3.04040576      0.38143976      0.54960728
  O     -3.96631115      1.11429402      3.41321948
  H     -2.33482910     -1.69748031      2.89879398
  H     -1.67201473      4.31178848      2.38607956
  O     -7.03912150     -1.05479926      2.38216660
  H     -0.14942049     -0.98592744     -1.11211851
  H     -2.15508705      5.76820830      2.45895824
  O     -2.73023284      1.18889349      0.97816949
  H     -1.13318066     -0.63168144     -2.26222997
  H     -6.23044648      2.97706757     -3.15688376
  O     -2.24843670      4.96433241      1.95507486
  H     -4.10288842     -1.50725527      1.61484336
  H     -7.58568505      3.71772547     -3.06921361
  O     -7.06689123      3.03030230     -2.66011731
  H     -4.18704673     -0.64909039      2.91476473
  H      0.98021447      2.34751198     -2.46108315
  O      0.23830357      2.06747951     -1.93165865
  H     -1.63280856      0.83486778      5.64023435
  H      0.15754193      1.10178618     -2.04063260
          69
 Energy    -247.95911089097459     
  O     -2.01181338     -2.65048488     -0.22657925
  H     -1.57502380     -1.78722405     -0.17311149
  H      2.05844882     -4.59962024      3.86012794
  O     -0.71284523     -0.60992095      7.12105230
  H     -2.95253237     -2.51620791     -0.06597660
  H     -1.36290834     -3.47973413      1.27375313
  O     -1.26056182      0.05767288      2.95384809
  H     -1.56235444     -0.98846725      7.38222323
  H     -0.72389524     -4.69329343      2.04213725
  O      0.75651447     -3.06732212      6.93978226
  H     -0.10888347     -1.35510998      7.02749087
  H     -2.72843332     -3.89112987      4.84357240
  O     -3.31789600     -1.74271179      7.52333621
  H     -2.11025812     -0.40579060      2.92858061
  H     -2.29959931     -3.81699173      3.35316534
  O     -0.43222595     -5.91656235      5.03540661
  H     -1.27693241      0.62268550      3.73569524
  H      2.25628020     -5.18790069      1.53930433
  O     -3.93726639     -0.04345114      5.50450251
  H      1.26404160     -3.40801216      7.67340902
  H      3.19986080     -6.22222673      2.20131785
  O     -0.63246557     -0.31911173      0.19623008
  H      1.19163095     -3.38746294      6.13342012
  H     -4.13501783     -1.50285125      2.15850066
  O     -0.29292081     -6.51549721      2.38317629
  H     -3.62278314     -1.16674009      6.79934969
  H     -3.53175773     -2.15658106      3.41665792
  O     -4.32777698     -4.90601794      1.66067281
  H     -3.94562539     -1.64413070      8.23410443
  H      1.84848465     -3.36936943      0.16278906
  O     -2.35513591     -6.73773504      0.60155460
  H      0.29170833     -5.28638003      4.92211385
  H      0.98303870     -4.57031053     -0.31509520
  O      1.68726591     -4.01464390      4.53233403
  H     -1.08268001     -5.46633461      5.58504925
  H      0.09626856     -1.15250663      3.16844310
  O     -1.02502880     -3.78224466      2.12786631
  H     -3.19841416      0.57570966      5.46223065
  H      0.10197972     -2.62483129      2.72408221
  O     -3.06789170     -3.80338647      3.94609050
  H     -4.01939269     -0.41762096      4.61701432
  H      2.77869929     -1.03819880      0.74395449
  O      2.42631910     -5.68819354      2.36007740
  H      0.28487729     -0.61813339      0.20749929
  H      1.60481882     -1.62380407      1.56213005
  O     -3.71787290     -1.29965545      3.00287040
  H     -0.83358106     -0.03830323      1.09887661
  H     -1.24974487     -5.62280740     -0.59619924
  O      1.79923151     -4.33120711      0.14827693
  H      0.65979135     -6.40490525      2.28390754
  H     -1.15783411     -4.12636979     -0.92260545
  O      0.67338424     -1.92162901      3.07793485
  H     -0.47419250     -6.43764282      3.33333721
  H     -1.18994032      2.22618611      5.77833251
  O      1.95060309     -1.50551938      0.66158754
  H     -3.69783446     -5.53429735      1.28792026
  H     -1.09080646      0.70201596      6.03123055
  O     -0.66646936     -4.95873574     -0.97877145
  H     -4.00927798     -4.68600086      2.54653895
  H     -1.02905829     -3.66677318      6.67704734
  O     -1.43370719      1.37763755      5.41888160
  H     -2.56633443     -7.63878439      0.36793920
  H     -2.50326057     -3.29594349      6.91609748
  O     -1.93330211     -3.96377453      6.51205390
  H     -1.62923239     -6.78241298      1.24697903
  H     -5.52081616     -2.37714904      0.10035029
  O     -4.70705437     -2.44343070      0.59218513
  H      1.40261637     -3.21295389      4.06633131
  H     -4.65550770     -3.35518010      0.93381321
          69
 Energy    -247.95896907160108     
  O      1.03273290      0.40524924      2.69107229
  H      1.51998215      0.17989658      1.88596910
  H     -1.59654418      1.01974932      7.05855091
  O     -2.93711634      0.24474178     -3.26583727
  H      0.09583199      0.26873090      2.47918760
  H      0.18135193      3.50429553      1.51993960
  O      0.07463336     -1.20668208      4.80824472
  H     -2.76783293     -0.70538531     -3.25890056
  H     -0.95845859      3.24515830      0.51020276
  O     -4.38187010      0.33570907     -0.91529358
  H     -2.12851699      0.64447048     -2.91811002
  H     -3.21012048      1.49167302     -0.14900086
  O     -2.36268481     -2.52465612     -2.65739895
  H      0.58825078     -0.70835107      4.15923355
  H     -1.73251192      1.68247408     -0.49361859
  O     -0.07912890     -1.65548769     -1.15264723
  H     -0.39454558     -0.55023369      5.33659511
  H     -2.19679494     -0.01595639      2.77457941
  O     -3.89929378      2.30664578      2.65180674
  H     -4.05032024      0.41823311     -1.82089278
  H     -1.90479997      0.66287809      1.39412897
  O     -3.85489437     -2.65723058      3.75519114
  H     -4.14600392     -0.55940283     -0.63614501
  H     -2.88211518     -2.48430991      0.29709637
  O      0.69390858      3.05402043      3.24500534
  H     -2.58441919     -3.31661282     -3.14136957
  H     -4.42872417     -2.42704624      0.38511866
  O     -0.65467030      1.01188835     -1.75668659
  H     -2.91060788     -2.52773399     -1.85483141
  H      1.49823969     -0.73283799     -0.33421314
  O     -3.36147735      0.01791921      4.20671200
  H     -0.68344804     -2.01093522     -1.81588084
  H      2.03895598      0.71110798     -0.28750799
  O     -1.48998704      0.81357233      6.13359279
  H     -0.37242338     -2.04143974     -0.31427987
  H     -2.54635105      2.94557606      3.94142228
  O     -0.06949033      3.60653355      0.59236115
  H     -4.67209796      1.80098638      2.34864866
  H     -1.00366146      3.11250116      4.05898914
  O     -2.40253174      1.92420539      0.16541439
  H     -3.36432409      2.42547630      1.85960112
  H      2.23477289      3.04608634     -1.56667927
  O     -1.59201459      0.00150693      2.02217688
  H     -2.97369418     -3.04248529      3.80653724
  H      1.11697066      2.91273047     -0.50309257
  O     -3.68432717     -2.33403494     -0.22347890
  H     -3.74949912     -1.72636430      4.00281602
  H     -0.66528322     -2.68280094      4.20913668
  O      2.04328835     -0.13096458      0.18517256
  H      0.89693843      2.11477859      3.09321531
  H     -0.70992639     -4.22547631      4.26835904
  O     -1.81603326      2.99748785      4.56881829
  H      1.44821137      3.43265274      3.69009791
  H     -1.39074458     -1.62551758      1.45947843
  O      1.68133143      2.41208450     -1.11894272
  H     -0.44236352      0.09720883     -1.52146899
  H     -1.15546278     -3.04928539      1.99219620
  O     -1.09312368     -3.47078422      3.82928509
  H      0.17096861      1.50897445     -1.72012419
  H     -6.43625950     -2.82807733      1.94462512
  O     -1.28493774     -2.54956070      1.17886959
  H     -3.66335819      0.84120516      3.80101223
  H     -5.02741705     -2.51420330      2.50366987
  O     -5.64170010     -2.33086445      1.76954688
  H     -2.80005686      0.24942598      4.95777264
  H     -5.78127614     -0.35328626      1.74971913
  O     -5.72456495      0.58487533      1.53722302
  H     -1.56262003      1.65450309      5.64677813
  H     -5.46097581      0.61025824      0.60706387
          69
 Energy    -247.95893119563630     
  O     12.23255778      9.26687224    -10.96095304
  H     11.45831397      9.83209851    -11.06330093
  H     14.40534378     14.03138200     -8.84567376
  O     12.28787191      8.08820213    -13.49600177
  H     12.35657111      8.81841192    -11.80727160
  H     10.44228127     11.77743397    -10.06155950
  O      9.89953942     10.73072973    -11.42837847
  H     11.66244755      8.75507841    -13.80716115
  H     11.53461216     11.80215697     -8.93493895
  O     14.69677412      9.83765800     -9.92836433
  H     11.80381004      7.28279367    -13.26858223
  H     11.79556237      7.97084120     -8.06098852
  O     15.63054779      7.32435560    -10.84020440
  H      9.19707479     10.13749400    -11.13096936
  H     11.95682918      8.12657581     -9.59298355
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  H     10.01619597     10.62468430    -12.38096772
  H     11.98722726      9.25282648     -5.80419940
  O      8.05704723      9.07181799    -10.10044577
  H     13.83751376      9.75009434    -10.37042605
  H     12.24487498      9.99750912     -7.13340824
  O     15.43366684     14.29837591    -10.38404499
  H     15.15012081      9.00236002    -10.09174366
  H     12.85605063      6.30431444     -9.85891238
  O      9.59707512      6.69976940    -10.42335941
  H     14.83974383      6.76260921    -10.75670608
  H     12.68260957      5.74178310    -11.27985642
  O     11.32399639     14.81342951     -9.39894061
  H     16.38166299      6.77037709    -10.64482589
  H     15.66618121     11.16419105    -10.76027369
  O     15.04939907      8.47118140    -13.40646344
  H     13.78178197     14.18834069    -11.33747696
  H     15.94320062     11.65118581    -12.19541740
  O     13.74165164     13.86513020     -8.16268771
  H     12.29692782     14.39136215    -11.02984502
  H     10.30797112     10.64391191    -14.90842588
  O     10.68399615     12.17200047     -9.21107654
  H      8.43418283      9.39307545     -9.26076292
  H     11.44233898     10.96922790    -13.90297912
  O     11.79708079      7.47828081     -8.88829711
  H      7.10894901      9.11806713    -10.00953799
  H      9.96520315      9.73459587     -7.39731944
  O     11.72055095      9.29011968     -6.71904761
  H     15.73832607     13.42476871    -10.69053100
  H      9.61110697     10.95389700     -8.25172065
  O     13.33737050      5.89023404    -10.58949641
  H     16.15415086     14.90572140    -10.52557086
  H     12.74729519     12.71552158    -12.89135562
  O     16.10761481     11.85837291    -11.26740996
  H      8.98768401      7.44453240    -10.37301715
  H     13.64761056     11.71066482    -13.65663228
  O     10.69799560     10.36093067    -14.08642125
  H     10.28002191      6.87813887     -9.76119764
  H     15.91890539     11.19610503    -14.70554062
  O      9.24605260     10.12873944     -7.90402606
  H     10.98176356     13.90737543     -9.30572688
  H     15.32616072     10.13913365    -13.74493073
  O     12.73120717     11.96753835    -13.50558658
  H     10.60273061     15.40180938     -9.19332397
  H     10.74935110      4.96460049    -12.80219480
  O     15.41874296     11.09654935    -13.90009828
  H     15.31505273      8.06671405    -12.57271163
  H     10.49345136      6.09154850    -11.77319621
  O     11.09962682      5.78788582    -12.47308490
  H     14.11347651      8.26029771    -13.52999018
  H     13.75355558     10.75056268     -8.65051043
  O     13.10829117     11.20783641     -8.09516194
  H     12.94946353     14.32743864     -8.46228133
  H     13.39499661     12.12987167     -8.00970109
          69
 Energy    -247.95891275445365     
  O     13.77539137      1.22156671     -8.72960017
  H     13.02416797      1.45662780     -9.29956631
  H     13.08062263      7.41790273    -13.60370296
  O     11.78583579      1.99882779    -10.45542741
  H     13.45053223      0.58440560     -8.09826592
  H     10.94415782      2.16084042    -14.47965614
  O     13.35038617      3.66710268    -16.09935019
  H     11.65543161      2.94612236    -10.31018118
  H     10.90568777      3.47069418    -13.65122869
  O     17.31317516      3.15358576    -10.21340456
  H     10.95909433      1.66193244    -10.82981712
  H     11.99577448      5.61074059    -13.28736370
  O     11.47512937      4.75452563    -10.34769581
  H     12.97435932      2.78868074    -15.97971203
  H     12.95679030      4.39075880    -13.23272206
  O      9.50052886      1.33429768    -11.80990083
  H     13.95765408      3.77067741    -15.35210377
  H     14.89637465      4.29826505     -8.60485739
  O     13.56140203      1.34102182    -12.58550549
  H     16.70584075      3.29275357     -9.46305807
  H     14.81282048      2.77348491     -8.34688104
  O     14.58647777      3.71811424    -13.62875357
  H     18.19523578      3.12179143     -9.85301284
  H     12.82864426      1.10338063    -14.21189819
  O     14.62609685      7.44964573    -12.70893905
  H     10.69977481      5.32549133    -10.29896489
  H     12.40537832      0.23776328    -15.41879557
  O      9.37528497      4.98182089    -15.49985459
  H     11.71371691      4.72207007    -11.28894508
  H     14.00811032      6.58738769     -9.59146807
  O      9.34262814      6.79573099    -13.41448756
  H      8.55780373      1.19166230    -11.80100263
  H     13.09318020      5.34072038     -9.74671454
  O     12.15970152      7.36615944    -13.90988866
  H      9.68878697      1.83917816    -12.61761910
  H     16.29657561      1.59929864    -10.76355921
  O     10.34936473      2.76818922    -14.02139262
  H     14.35410813      1.07144682    -12.09687297
  H     15.10239418      0.90200367    -10.08901948
  O     12.07246349      4.69636467    -12.99116330
  H     12.90358426      1.58362119    -11.92137598
  H     16.47324020      4.49049890    -11.23023176
  O     15.41160872      3.53004221     -8.32161402
  H     15.10896792      4.18631191    -12.96419748
  H     15.17126227      5.25791082    -10.91185383
  O     12.37429660      1.12557897    -15.07133407
  H     14.34674520      2.85861887    -13.25579394
  H      8.53606562      6.83114706    -10.34498490
  O     13.99453612      5.62326583     -9.53976411
  H     15.17927980      6.68372946    -12.51455565
  H      9.26949429      6.61489032    -11.68975611
  O     15.64371578      0.90044349    -10.88928513
  H     14.50455923      7.88690299    -11.85701019
  H     13.03398358      8.45946052    -10.42413851
  O     15.82272519      5.09409659    -11.60939490
  H      9.58025905      4.12780311    -15.09753935
  H     14.13537192      9.20688904     -9.63171525
  O      9.38190643      6.60337056    -10.72111249
  H     10.19964486      5.29172740    -15.89385141
  H     12.09151090      6.31818107    -17.25059278
  O     13.93714456      8.38196612    -10.06611211
  H      9.17853153      6.15051482    -14.11714829
  H     12.46901967      5.16131063    -16.29890921
  O     11.97244979      5.99649603    -16.36027507
  H     10.17439451      7.21641227    -13.65499281
  H     10.77844757      7.88384823    -10.99393702
  O     11.52865219      8.42116835    -11.27504521
  H     12.16111238      7.02190392    -14.81351241
  H     11.69052559      8.19313513    -12.19828220
          69
 Energy    -247.95889428786253     
  O     15.68588257     10.26623240    -15.56853110
  H     15.00824504      9.76061102    -16.00843457
  H     18.02621387     12.27329994    -16.17588705
  O     17.96405516     14.10099061    -15.91581569
  H     15.93003270      9.77056448    -14.76507661
  H     18.03030103     10.06133499     -8.30724433
  O     19.42618398     12.94855359     -9.81974417
  H     18.68796220     14.22480264    -16.54359843
  H     18.91934527     10.11016475     -9.57092575
  O     15.26085506     13.03125236    -12.07751948
  H     18.22897865     14.58884542    -15.12387600
  H     20.45808022     16.39840514    -10.91999749
  O     20.30519340      9.53194392    -10.46588614
  H     18.90489221     13.13070920    -10.61656970
  H     20.13056522     17.84706685    -11.35300826
  O     16.01289143     10.43580864    -11.06854902
  H     18.99858376     12.19463932     -9.39728736
  H     20.92394818     12.29029896    -10.70741452
  O     20.93252098     11.55521693    -16.70795987
  H     15.26518262     13.03434102    -13.05185469
  H     22.40956937     12.61311108    -10.94408780
  O     21.42204467     14.64064996    -14.80263195
  H     14.53922753     13.59014883    -11.80267254
  H     17.31614854      8.59131247    -13.20466766
  O     20.92391186     15.28529326     -9.66575712
  H     20.93925759     10.20866200    -10.73147837
  H     16.21904805      9.42643866    -12.52646908
  O     21.67314715     11.99961910    -13.94300541
  H     20.01274823      9.08683320    -11.27142914
  H     20.69059449     14.35473858    -18.29019056
  O     15.49887972     12.99706799    -14.77290265
  H     16.70642370     10.53918190    -10.40672972
  H     20.65336666     13.20415980    -17.25518023
  O     18.16840154     11.31771428    -16.24595340
  H     15.70313318     11.31935019    -11.29827512
  H     22.01259059     16.39225050    -12.38100889
  O     18.16778073     10.53785337     -9.12204584
  H     21.31017125     11.53608488    -15.81994320
  H     22.47801405     15.47427739    -13.51909488
  O     20.28987699     16.96997944    -11.69126334
  H     20.00800837     11.28247132    -16.61998953
  H     19.36700717     15.97797931    -12.97521076
  O     21.72184505     11.96636950    -11.14903583
  H     20.59122700     14.87281925    -14.36021378
  H     18.67009424     14.59375131    -13.02573823
  O     16.43433459      8.95007952    -13.34350199
  H     21.21938540     14.59301485    -15.74342777
  H     23.25199159     14.77001613    -11.41734489
  O     20.41414451     14.13671498    -17.40428252
  H     21.80730859     14.93843705     -9.83797378
  H     24.29517246     14.31205428    -10.37106113
  O     22.76644416     15.87366560    -12.68751576
  H     20.35191472     14.51068848     -9.57168186
  H     19.81838918      8.14297513    -13.58976235
  O     19.02692354     15.30550219    -13.57879114
  H     21.80485780     11.95910954    -12.98535599
  H     19.18423282      9.48969623    -13.17227491
  O     23.39675031     14.17557776    -10.65943221
  H     21.67788867     12.93444628    -14.19455265
  H     20.00009174     11.48495950    -13.73663865
  O     19.26855058      8.55191632    -12.92474631
  H     15.49928519     12.08378892    -15.08871196
  H     18.69353436     11.19321960    -14.52874448
  O     19.08367520     11.18533541    -13.64505992
  H     16.21110216     13.45436767    -15.23324610
  H     17.05906297     13.19845588    -12.05959125
  O     18.02090250     13.22434578    -12.13398588
  H     17.30742564     10.88781737    -16.16321037
  H     18.30709727     12.43964517    -12.62451021
          69
 Energy    -247.95857064889339     
  O     12.54949381      4.01632581    -13.03260939
  H     12.31569646      3.21542439    -13.49598391
  H     19.33175014      9.41983895    -14.79603340
  O     17.44175840      7.22151015    -12.36704241
  H     12.97004600      4.59944848    -13.68678041
  H     13.67797291      9.05894650    -15.45365287
  O     16.58243398     11.46073740    -11.85937385
  H     18.29696013      7.56505749    -12.08735265
  H     14.82958583      9.75182046    -16.22974951
  O     16.54841975     10.44407153    -15.80869159
  H     16.94005365      7.96764517    -12.73031910
  H     16.14491459      9.59666019    -14.22557464
  O     15.16919215      3.98857152    -11.72988223
  H     16.26673333     10.65555714    -12.29664784
  H     15.00002431      8.91054304    -13.43024167
  O     13.82084665      9.80665336     -9.45469439
  H     15.82794048     11.84621579    -11.38983032
  H     11.65549024      4.94564833    -11.72123510
  O     15.52867712      6.51833612    -10.45736909
  H     17.26078415      9.86753695    -16.11858127
  H     10.89751406      4.91710374    -10.38362443
  O     17.13749034      6.40939640    -16.28919185
  H     16.96664829     11.18554196    -15.35250762
  H     17.51745133     10.51867190    -10.53274917
  O     16.15447278      8.43189262     -8.49419000
  H     15.22947776      4.76578458    -11.15719882
  H     18.63345923      9.45712949    -10.45290057
  O     18.62956647      8.65149949    -16.37682033
  H     14.24821198      3.92458944    -12.00410313
  H     18.15823388     13.15950820    -14.08984068
  O     16.52402738      5.11571845    -13.85727587
  H     13.41088250      9.12825125    -10.00703329
  H     17.46421264     12.06148818    -13.24970647
  O     19.60132215      9.90757408    -14.00795605
  H     14.57852620      9.38061064     -9.03698741
  H     20.70264431      8.31875868    -11.51380964
  O     14.04184219      9.20337766    -16.33715005
  H     16.21897045      6.73449210    -11.10040569
  H     19.78378280      9.07732580    -12.50198025
  O     15.90397753      9.24549990    -13.35919945
  H     15.72248167      7.05423828     -9.67761203
  H     13.67714328     12.86923936    -10.27192771
  O     11.28929281      5.50822171    -11.02223798
  H     16.27018355      6.47456326    -16.70665339
  H     14.13198594     11.41126221    -10.08465036
  O     17.93103465      9.87588085     -9.94196818
  H     17.02435472      5.84609226    -15.51295171
  H     14.01666308      5.90244608    -15.66908769
  O     17.92776793     12.23443196    -14.08846227
  H     16.81402694      8.95449462     -8.98549465
  H     14.84821865      5.48885759    -14.42441735
  O     19.79782209      8.57673891    -11.66616134
  H     16.43268008      8.42728722     -7.58239468
  H     12.35565504      6.96692830    -10.97474698
  O     14.38603981     12.26611735    -10.47480104
  H     19.19855089      8.57252709    -17.13821552
  H     13.88881250      7.21718693    -10.88285444
  O     13.94646850      5.65370298    -14.73929700
  H     18.12977666      7.81772460    -16.31726403
  H     13.52011633      7.32917487    -14.06761444
  O     13.03974838      7.64335807    -11.06967943
  H     16.16138737      4.53989142    -13.16866087
  H     13.12952711      8.13162649    -12.80585211
  O     13.38042040      8.22636594    -13.73573363
  H     16.94882580      5.84677605    -13.38354401
  H     14.30266102      7.63133447    -17.01820068
  O     14.46848961      6.70789601    -17.28225607
  H     19.12761350     10.74739729    -14.03431774
  H     14.11231810      6.60290712    -18.15995419
          69
 Energy    -247.95841503368391     
  O      9.79468050      8.35179729    -15.06053782
  H     10.04466636      7.45802228    -14.78294727
  H     15.45002492      7.56917628     -9.98174569
  O     15.57214953     10.41568516    -12.42247789
  H      9.12747196      8.23970071    -15.73395033
  H     13.11816234      3.31319561    -11.53659633
  O     14.99626157      4.92838320    -13.30446901
  H     14.64419721     10.67902140    -12.37799359
  H     13.32652959      4.61154107    -10.70947428
  O     15.87533189      3.66742945     -9.32259035
  H     15.69526695      9.71822495    -11.76618922
  H     13.88969986      6.29741175    -13.70731393
  O     16.39652965     10.00272181    -14.95049468
  H     15.78388292      5.41126626    -13.02070284
  H     13.57519234      7.57697300    -14.56032012
  O     14.14602461      8.64242107    -15.93878386
  H     14.62104552      4.49878147    -12.52574367
  H     16.19725945      6.66304379    -16.33495581
  O     12.76419326     10.96743858    -12.43216752
  H     15.76182271      2.92257468     -8.73737506
  H     16.03572107      6.35810652    -17.84142290
  O     11.68999034      2.80258696    -12.49044301
  H     15.14687076      3.62589783     -9.96611006
  H     14.53876559      4.34083996    -14.95431537
  O     14.85973795      6.33355435     -8.74184750
  H     16.85697997     10.78145678    -15.25073309
  H     14.55622339      4.94495877    -16.36249678
  O     11.97367454     10.10862477    -14.86161102
  H     16.14177312     10.16783597    -14.02490919
  H     17.57362268      5.91441728    -11.80530338
  O     18.16288847      4.79081372    -10.51678721
  H     14.51153011      7.91945950    -16.46420433
  H     16.57381294      7.10428099    -11.86890038
  O     15.49909680      8.10744020    -10.78380553
  H     14.89996914      9.16858735    -15.63692196
  H     17.08717714      8.24113487    -15.03287807
  O     13.78112863      3.83034769    -11.05684043
  H     12.30841207     11.77321449    -12.20609507
  H     17.30347364      6.97923572    -14.17694699
  O     13.25125970      7.00886079    -13.85074627
  H     12.46150099     10.71163328    -13.32304219
  H     11.33911906      2.83672253    -15.95928134
  O     15.54606230      6.44453844    -17.02755976
  H     11.04268707      3.43292209    -12.14994517
  H     12.53376834      3.72837570    -15.54889878
  O     14.15293941      4.24478907    -15.83772693
  H     11.69881731      2.92615467    -13.44725572
  H     12.66636392      9.26084350    -11.69573163
  O     17.08566294      6.48819682    -12.41185276
  H     13.93349743      6.21643079     -8.98798058
  H     12.92732234      7.88859753    -12.36984851
  O     17.24132203      7.28987909    -15.08989856
  H     15.26067836      5.45944086     -8.80460372
  H     10.94760532      5.05892862    -14.65105946
  O     11.62713544      3.46670732    -15.30444663
  H     11.18376080      9.55574027    -14.93487651
  H     11.65207398      6.30659018    -14.06750559
  O     12.80573458      8.32498997    -11.51165202
  H     12.66194565      9.66929164    -15.37615538
  H     10.27662173      5.41958168    -12.51422886
  O     10.78495352      5.88431231    -14.17675880
  H     17.41325456      4.35540461    -10.08458436
  H      9.15908899      5.15573055    -11.48046705
  O     10.09485138      5.05013964    -11.63381865
  H     18.83906822      4.87598305     -9.84834514
  H     12.44521826      6.87214573    -10.52267007
  O     12.31466662      6.00317703    -10.11362324
  H     14.57985466      8.21403016    -11.06585889
  H     11.48568174      5.66813922    -10.47638501
          69
 Energy    -247.95815940771405     
  O     12.88300025     13.41856407    -15.03070866
  H     12.00960138     13.77268721    -15.17506042
  H     15.02764677      7.35026603    -15.69023237
  O     17.29973821      6.26222319    -13.65926616
  H     12.94516317     12.59884020    -15.54961513
  H     15.62634138      9.09800389    -18.17479358
  O     19.03377183     10.11164497    -12.70713389
  H     16.44386854      5.82734992    -13.57353981
  H     16.97599917      9.09326828    -18.93417524
  O     16.93636772     13.52284241    -13.36444278
  H     17.19167943      6.91780804    -14.36257819
  H     15.25793050     10.77072948    -13.27447122
  O     14.59502318      5.26535089    -13.48095690
  H     18.96656005      9.21994763    -12.35374685
  H     15.81127677      9.47593933    -12.59968248
  O     15.83094082     10.88660363     -9.35512404
  H     18.68254355     10.71480130    -12.03315924
  H     14.37644476     11.18216651    -16.25082007
  O     13.95345546      6.97835188    -11.49146339
  H     17.52514724     12.88128386    -13.78389607
  H     13.24367853     10.36701508    -15.53922579
  O     14.46133921     12.38198121    -12.91208654
  H     16.52283929     13.99840365    -14.10082291
  H     19.25199648      6.93054419    -11.24695202
  O     13.92892572      8.71504103    -17.92977163
  H     14.33227308      5.85513727    -12.75091723
  H     18.17197242      6.99274971    -12.35578451
  O     16.12773771      8.63846810    -10.99625061
  H     14.35595503      4.38065044    -13.21809748
  H     10.99502185      8.93767705    -11.81154860
  O     16.60713632      8.26288899    -15.47623141
  H     14.94233470     11.00547165     -9.73738095
  H     12.23653034      9.04176333    -12.72719613
  O     14.15895567      6.91994472    -15.71755222
  H     15.75561534     11.05693823     -8.42037124
  H     18.62900305     10.97377958    -14.12085031
  O     16.55997747      9.37105548    -18.12309559
  H     13.20383664      7.58286937    -11.48431897
  H     19.25435426     11.86681524    -15.21375781
  O     15.56064287      9.86972286    -13.44622724
  H     14.72305210      7.50992608    -11.24227488
  H     17.14012414     11.73524135    -10.46040550
  O     13.42144822     11.01393360    -16.23689806
  H     15.30738340     12.84622911    -12.98627116
  H     17.50012070     12.68208305    -11.63605151
  O     18.58387345      7.49324715    -11.62778053
  H     13.86799257     12.76943345    -13.56618475
  H     16.90373528     11.54463322    -15.86484065
  O     11.94585639      9.01547100    -11.79972641
  H     13.84417209      7.98952777    -17.29727838
  H     16.35548449     10.95978575    -17.18544661
  O     18.41887910     11.59244692    -14.84343693
  H     13.56989658      9.49920090    -17.49612820
  H     13.73754500     11.66118882    -11.40380989
  O     17.84935903     11.99149310    -11.06167596
  H     16.13249218      9.34394917    -10.33759080
  H     12.91603337     10.43428776    -10.94136224
  O     16.15865626     11.58973770    -16.48067211
  H     17.01662948      8.26701115    -11.06527118
  H     14.62598767     14.20942719    -15.50361297
  O     13.46921569     11.15596682    -10.62250330
  H     16.34451233      8.94629552    -14.84165160
  H     15.80626945     13.44579709    -16.10755373
  O     15.57469138     14.27275716    -15.66331190
  H     16.75070687      8.68097652    -16.33149617
  H     13.26978815      8.23374778    -14.78353377
  O     13.09693803      9.04330195    -14.28543242
  H     14.20153387      6.22172886    -15.05210903
  H     13.95549145      9.30677490    -13.91605928
          69
 Energy    -247.95812143448808     
  O     13.40413841     12.54928874     -8.40270783
  H     13.39359114     12.65387880     -7.45508999
  H     10.21241814     12.67864975    -13.63795569
  O     11.79013296     10.20542519    -14.86892638
  H     13.67568516     11.62818809     -8.57925223
  H     13.36108426     14.38907641    -12.21222227
  O     14.00868446     10.01985037     -9.04254823
  H     12.48909871     10.25100713    -15.53814476
  H     13.64674652     12.92788501    -12.65824002
  O     18.48068048     13.54146439    -13.38394725
  H     11.50262325     11.11318578    -14.70699717
  H     11.77449987     13.55370733    -15.69496506
  O     11.45976209     12.40808800    -10.41629244
  H     14.81426865      9.79740010     -9.53230895
  H     11.91628368     13.95066851    -17.17396749
  O     11.76309277      9.59670373    -10.74390455
  H     13.26786335      9.63594657     -9.52503262
  H     15.59058842     11.84067219    -12.59557470
  O     13.49163240      9.36463215    -12.87077319
  H     19.40084039     13.78736622    -13.42871157
  H     14.39557869     10.89923279    -13.02458442
  O     14.46361313     15.76153559    -11.75120037
  H     18.27742094     13.05814759    -14.20474863
  H     16.79848852     12.68075670    -15.84455491
  O      9.91067822      9.43911682    -12.79708469
  H     11.98761900     12.51272145     -9.61444498
  H     17.42727748     11.31800923    -15.51505025
  O     14.97173151     13.25838695    -15.59940766
  H     11.97625172     12.82842979    -11.11980571
  H     16.64199301     10.36893607    -10.86411713
  O     14.04799521     10.51315123    -16.45290811
  H     11.65917767     10.54367441    -10.57956163
  H     16.27527290      8.94368519    -11.34009338
  O     10.96426547     12.85085464    -14.21588418
  H     11.05905639      9.35969545    -11.36562257
  H     15.68374182      6.96705629    -12.88989769
  O     12.94002655     13.55360956    -12.45021637
  H     12.96692856      9.39241070    -12.05966936
  H     14.93279339      8.31894360    -12.92254477
  O     12.40785356     13.86191266    -16.36077330
  H     12.89245813      9.56156688    -13.60471264
  H     16.36115846      9.06835992    -14.35195739
  O     14.87240305     11.71525517    -13.23447125
  H     15.10239979     15.60754196    -12.47171876
  H     15.94066071     10.53999602    -14.35572611
  O     17.63698732     12.25486003    -15.62352142
  H     14.36308630     16.70537312    -11.66650355
  H     16.51906957     12.72039428    -10.88229557
  O     16.25948520      9.52929747    -10.57635537
  H      9.53049220     10.30811637    -12.61896858
  H     17.57439578     12.59341440    -12.03812543
  O     15.81538157      7.90972808    -12.95457492
  H     10.42271574      9.53751838    -13.60943659
  H      9.91968614     12.27168106    -11.39267329
  O     16.35832134      9.86092911    -14.90237295
  H     14.09779201     13.56578495    -15.88238789
  H      8.41455933     12.46150940    -11.68142149
  O     16.93843644     12.10349994    -11.50438279
  H     14.85565210     12.72613663    -14.79820341
  H     16.98750358     14.70249162    -13.58603197
  O      9.23317621     12.16442198    -12.07150530
  H     14.27197474     11.44697792    -16.50228144
  H     15.74083197     14.64824534    -14.49141727
  O     16.14216034     15.13387482    -13.76112113
  H     14.83656019     10.08972581    -16.08975189
  H     14.77805958     13.43059550     -9.39907538
  O     15.49488489     13.79152333     -9.93447736
  H     11.66769172     13.17943296    -13.63390650
  H     15.13017797     14.53410223    -10.42960623
          69
 Energy    -247.95771581955336     
  O     -3.09046557     -2.25274199     -1.69645988
  H     -3.34212936     -2.55018642     -2.56726416
  H      2.37438062     -0.28162243      2.29731716
  O     -2.22715784     -0.73707489      2.20919816
  H     -3.56071496     -2.82334531     -1.06090400
  H     -3.62551551     -2.89536462      5.08550684
  O     -5.72786931     -2.95022148      2.56732221
  H     -2.12502735     -1.67432016      2.00233735
  H     -2.91001468     -3.90466250      4.18620530
  O      2.15291821     -2.52414052      4.63976108
  H     -3.17372736     -0.55925414      2.25151332
  H     -3.90673755     -0.29784918      5.39845473
  O     -4.24312048     -3.70337145      0.25401234
  H     -5.03797682     -3.19060022      3.21254136
  H     -3.88003732      1.16582519      4.90726071
  O      1.66465873     -3.14414608      0.97670741
  H     -6.54184439     -3.33545574      2.88102332
  H     -1.24218116     -2.18999693     -1.10465045
  O     -2.93976207     -1.63633307      6.33943658
  H      2.05826003     -3.39552257      4.23704752
  H     -0.39277056     -1.11410159     -0.41364371
  O     -4.99314566     -0.26799923      2.29103710
  H      2.49515361     -1.95805265      3.93592512
  H      0.60755510      0.98137999      2.97020436
  O     -0.75274120      0.57074186      0.25231001
  H     -3.38693116     -3.72969751      0.71096291
  H      0.64175020      0.94671912      1.43481783
  O     -0.83621590      0.67014261      4.11736059
  H     -4.88830339     -3.50929680      0.94176372
  H     -3.46233474      2.52885742      1.16675639
  O     -1.80678321     -3.37747727      1.44149530
  H      1.09092496     -2.79401159      0.28570083
  H     -4.41861095      1.66207148      2.00772585
  O      2.98235500     -1.04112426      2.34199703
  H      2.13395983     -2.38999125      1.35883624
  H      1.56262550     -4.30909034      2.27056581
  O     -3.77685285     -3.52227328      4.36790026
  H     -2.98515738     -1.77181154      7.28305757
  H      1.98191412     -5.67111700      2.87416459
  O     -4.39058230      0.34787482      4.86939779
  H     -1.99829205     -1.66932729      6.10133997
  H     -4.65732699     -0.15823764      0.29837245
  O     -0.41100493     -2.05700363     -0.63186330
  H     -5.35137847     -1.16566056      2.30030125
  H     -3.90816791     -0.71709751     -0.94092491
  O      1.21052099      0.97759392      2.21529244
  H     -4.87988359     -0.02349114      3.22613055
  H     -3.13483767      2.68767601      3.60376949
  O     -3.87099732      2.45403393      2.03758282
  H     -1.30029413      0.13967974      0.92753067
  H     -2.83293157      3.56301863      4.84409580
  O      1.51975875     -4.86161137      3.07241799
  H     -1.30768943      1.25657781     -0.13537608
  H     -0.77513551     -3.23392336      4.45782583
  O     -4.32050008      0.07470367     -0.57275033
  H     -1.33752846      0.15632899      3.46353209
  H     -0.14788657     -4.46893811      3.76012656
  O     -2.76925375      2.67378213      4.50703419
  H     -1.38895384      1.42520750      4.34901356
  H     -0.44204015     -0.82030642      5.02180343
  O     -0.98888160     -4.04426373      3.97473128
  H     -1.11970350     -3.06832029      0.83874287
  H      0.58016930     -1.95723023      5.29468618
  O     -0.34319976     -1.69561864      5.42463367
  H     -1.40595696     -3.66711916      2.27095639
  H     -3.00624265      2.87676834     -1.34329644
  O     -2.80739422      2.30843896     -0.60435732
  H      3.85903942     -0.69904792      2.18885871
  H     -3.38509371      1.52640090     -0.68414103
          69
 Energy    -247.95765516611809     
  O     16.21739599      4.79699838    -12.93721797
  H     16.36495668      4.58132499    -13.86967249
  H     17.95655196      7.21825258    -15.91898792
  O     14.92532986     11.36340186    -11.56296532
  H     15.32175623      4.53127908    -12.70137426
  H     16.00316709     11.10369555    -14.89546048
  O     17.12006887     11.63115307    -13.46086574
  H     15.70153683     11.55980661    -12.09928683
  H     15.75828601      9.81800551    -15.72192525
  O     11.08942873      7.64072256    -15.74698295
  H     14.19507418     11.33011949    -12.19508573
  H     15.21784804      7.88310427    -12.98116504
  O     17.72554080      8.27961301     -9.73427234
  H     17.54016891     10.84245704    -13.07690238
  H     16.18298248      6.66427372    -13.11253280
  O     12.84944136      6.21524238    -14.04547689
  H     17.77816984     12.32198211    -13.45933581
  H     14.82397746      7.03489504    -10.03465259
  O     13.19998093     10.78866241    -13.73403189
  H     11.55748818      7.06523338    -15.12853643
  H     15.89693784      5.96399654    -10.27672734
  O     13.21014377     10.21059451    -17.30765732
  H     11.53330970      7.53289321    -16.59737652
  H     18.57398158      6.18726761    -11.63276540
  O     16.62503608      4.56381098    -15.62378862
  H     17.80611485      7.39763695    -10.13769010
  H     17.32856748      5.31538720    -11.61246709
  O     16.36436707      8.10730826    -15.89736275
  H     18.18513036      8.24225726     -8.89928656
  H     13.20209305      3.74512811    -11.46481476
  O     14.42031785      6.19048818    -16.39889269
  H     12.96450359      5.48165822    -13.43148984
  H     13.97661800      5.06405600    -11.24217528
  O     18.69232597      6.60112643    -15.77657725
  H     13.02306632      7.00749454    -13.51384602
  H     17.35851403      8.71729949    -12.66227463
  O     15.37811745     10.67925164    -15.49644351
  H     13.93089560     10.76350987    -14.36864482
  H     18.06821664      9.17727094    -11.37826028
  O     16.10403770      7.61578751    -13.25542379
  H     12.38256344     10.73275150    -14.24402144
  H     19.24299191      7.87271867    -12.87024234
  O     14.95133309      6.08449719    -10.14278294
  H     13.98727780     10.49371816    -16.81099000
  H     19.30844523      6.75322214    -13.92017142
  O     17.87306273      5.87409720    -11.03944766
  H     12.44898794     10.39861530    -16.74371112
  H     12.96220343      8.57321837    -17.88393585
  O     13.59883349      4.48088108    -11.92416701
  H     17.39513068      5.12968783    -15.75495336
  H     12.51324425      7.62490690    -19.02182675
  O     18.04139390      9.32433045    -12.33122588
  H     15.87288548      5.02748922    -16.01650231
  H     15.91218392      8.79445934     -9.96688878
  O     19.52515758      6.95945561    -13.00310108
  H     16.32020817      7.98474920    -14.93429039
  H     14.95820434      9.86106178    -10.54549173
  O     12.74014489      7.64891498    -18.09621805
  H     15.69678048      7.50069474    -16.24573318
  H     10.98391067      9.36497936    -15.48990231
  O     14.98559778      8.96337024    -10.17789820
  H     13.85192912      6.57844448    -17.07595737
  H     10.14244633     10.66438990    -15.50402607
  O     11.03513737     10.33652764    -15.43947078
  H     13.90268271      6.16329416    -15.58144002
  H     13.36161691      9.21169056    -12.90663343
  O     13.54238937      8.35859504    -12.48733717
  H     19.29645422      6.72450047    -16.50560789
  H     13.90442146      8.53941931    -11.60997248
          69
 Energy    -247.95761179525402     
  O     18.32791697      7.01455445     -9.53721856
  H     18.97237303      7.20829182    -10.23650824
  H     21.07636976     10.18241307    -10.03481374
  O     18.80166291      4.22765994    -11.66238208
  H     17.61782255      6.51746834     -9.96307279
  H     19.21380181      7.80033290    -13.12838928
  O     19.86906077      5.18874840    -14.19011368
  H     17.94092024      4.63962181    -11.51980587
  H     19.38544401      8.57795176    -14.43766272
  O     22.32055351      7.38982210     -8.94754529
  H     19.09557987      4.49651538    -12.53960561
  H     20.06075042      4.06965444    -10.37634091
  O     16.44358083      5.77201202    -11.12187401
  H     19.71929877      4.74628355    -15.02215453
  H     20.49694613      4.60508001     -8.98384068
  O     22.09892671      6.32485042    -12.82088486
  H     19.51427410      6.08827007    -14.28330986
  H     14.44208253      7.68094666    -12.86239267
  O     14.61801115      9.02416607     -9.04993386
  H     21.61992940      6.96957281     -8.43405982
  H     13.50065148      8.69331516    -12.18196678
  O     23.11374088      5.09361680    -10.55537740
  H     22.71198354      6.68259737     -9.47365344
  H     16.76713124      9.93187302    -10.87670139
  O     20.02926659      7.69325306    -11.53847343
  H     15.57920564      5.82557488    -10.69677906
  H     17.25876791     10.65595608    -12.15682742
  O     19.51435897     11.15647400     -9.65122692
  H     16.42749025      6.41471548    -11.84620860
  H     16.37755565      8.59371040    -12.64219089
  O     18.83656199     11.35840504    -12.50931068
  H     22.51628656      5.81388180    -12.11325978
  H     17.14697760      7.70066101    -13.62863705
  O     21.72208335      9.60585834    -10.45957102
  H     21.51722792      5.74348290    -13.32424331
  H     22.53293226      8.15724122    -13.09738013
  O     18.95577535      7.79913106    -14.06489171
  H     14.39347197      8.10959148     -9.26015803
  H     22.43347816      9.39988119    -12.18765101
  O     20.78428556      4.06951063     -9.73182639
  H     14.19898078      9.55567161     -9.73781617
  H     16.37360461      9.42893366     -8.95447870
  O     13.58249397      7.76267015    -12.42781537
  H     23.84029877      4.51457848    -10.34343533
  H     17.69149883      8.65460626     -9.21796114
  O     16.50843255     10.17794487    -11.77494658
  H     22.29782486      4.64642226    -10.26099111
  H     13.46372149     11.29375674    -11.64356998
  O     16.33901645      7.74256359    -13.10337651
  H     20.70286150      7.09818782    -11.89434958
  H     14.76212416     10.45369791    -11.63135966
  O     22.55437042      9.12338677    -13.10678383
  H     20.52093616      8.45094877    -11.19500677
  H     21.26269888      9.78614719    -14.05434189
  O     17.31316391      9.54404825     -9.16072559
  H     18.73542850     10.63076933     -9.40649651
  H     20.79465252     10.64447549    -15.25310253
  O     13.80776914     10.42762072    -11.44218372
  H     19.47379022     11.95513198     -9.12986163
  H     19.39894677      6.37740765     -8.29819217
  O     20.47654582     10.12203615    -14.52181600
  H     19.45091217     10.97599456    -13.14690160
  H     19.74804552      5.95825378     -6.85094458
  O     20.10417729      6.01710924     -7.73351887
  H     19.26362214     11.34323160    -11.64549165
  H     13.69238331      6.84483199    -10.93598098
  O     13.89976971      6.41614768    -10.08567454
  H     21.98416208      8.91220417     -9.83241212
  H     13.13906764      5.89213233     -9.84883034
          69
 Energy    -247.95758070305357     
  O     12.98184573     11.65485871    -14.06467372
  H     13.55381005     11.86829823    -14.81626771
  H     18.34543255     10.63656479    -17.13459363
  O     18.69249519     10.36612740    -11.81653615
  H     13.57664449     11.65280004    -13.30699513
  H     13.28395155      7.86737589    -17.28460583
  O     15.03295632     11.09576385    -12.11799268
  H     18.77628808     10.02844478    -12.72051630
  H     12.46869240      8.86965658    -16.43277726
  O     14.31974575      7.39422713    -14.43822133
  H     18.26614403     11.22657848    -11.89058382
  H     16.83485658      9.57625437    -14.35466229
  O     14.27478191      6.91088022    -11.71580808
  H     15.28200107     10.55245761    -12.88323408
  H     15.46049106      8.83784729    -14.45832782
  O     18.10787852      8.21818560    -10.32469327
  H     15.71161604     11.77946743    -12.05035857
  H     13.85965378      9.95906335    -18.06115002
  O     15.01778422     11.81018372    -15.95378301
  H     14.38274077      7.13689257    -13.51029814
  H     14.03492734     10.94806434    -19.23618121
  O     18.28102755      6.58499179    -14.72655288
  H     13.55814707      7.99052091    -14.51295396
  H     13.31053988     10.64716774    -11.08153843
  O     15.41972856      8.97644787    -10.23108743
  H     13.32950654      7.10287555    -11.73950994
  H     13.55232918      9.59609861    -10.02314483
  O     17.16557283      9.81621073    -18.03611912
  H     14.67020628      7.60570933    -11.16794182
  H     18.89053069      9.85854157    -15.16970568
  O     17.07130965      6.42952131    -12.29558782
  H     18.78394660      8.07334988     -9.66885849
  H     18.66679801      8.40644336    -14.60107811
  O     19.02168102     11.04073867    -16.55830013
  H     18.36650573      9.01188161    -10.82915581
  H     16.55794203     12.65329848    -15.37055354
  O     12.87392979      8.74093089    -17.29917371
  H     15.33110441     11.02538933    -15.47665710
  H     18.05070963     12.31266169    -15.49803493
  O     15.87790491      9.69875830    -14.33584256
  H     14.82109879     11.52556312    -16.85397986
  H     17.45682383     13.66924894    -11.94667637
  O     14.44739849     10.63992738    -18.43386525
  H     18.91887953      5.87627851    -14.76310733
  H     17.33794539     12.84068208    -13.24695871
  O     12.83836417     10.04627489    -10.49369528
  H     17.81286162      6.49196714    -13.87840613
  H     17.35291288      6.94088982    -16.35376296
  O     18.65627313      9.34679334    -14.38393969
  H     16.34482223      8.72746515    -10.11644451
  H     16.05985189      6.82711480    -17.19090560
  O     17.42406995     12.82649289    -14.97575166
  H     15.40861509      9.72093997    -10.84907085
  H     12.36398313     10.00554792    -14.38851547
  O     17.24688035     12.80007910    -12.27722313
  H     17.10768256      8.88091770    -17.78772340
  H     11.79472284      8.72901585    -13.70901872
  O     16.94488516      7.21037358    -17.18476681
  H     16.27137856     10.09687571    -18.25570077
  H     11.96213422      8.80163924    -11.39703273
  O     12.13966132      9.07411434    -14.54081830
  H     17.47559037      6.98533077    -11.61663481
  H     10.79317029      7.79872993    -11.52363208
  O     11.62506971      8.05086167    -11.91681074
  H     16.13439575      6.38201250    -12.07763364
  H     14.32175866      6.56686485    -15.97082065
  O     14.27359456      6.26747036    -16.89668609
  H     19.75827972     11.26976844    -17.11769776
  H     13.92840625      5.37851973    -16.88257793
          69
 Energy    -247.95756289430591     
  O     11.80349557      8.11705638    -15.45972570
  H     11.72133972      8.77049302    -16.16481929
  H     19.07922699      9.32330122    -16.25071590
  O     17.94672323     10.10968117    -10.83596880
  H     11.37359233      8.49994057    -14.68591052
  H     17.27703501     13.08067632    -11.67327621
  O     15.53810031     12.30556455    -15.28951810
  H     18.09688842      9.62921857    -11.66230026
  H     18.75292313     13.46917880    -11.41433611
  O     13.88692855     10.82643463    -13.61345530
  H     18.07483039     11.04095936    -11.05133143
  H     15.50811275     10.03606304    -17.59058915
  O     11.68414856     13.64246209    -13.21592207
  H     16.43208436     12.08059734    -14.99225871
  H     14.73034511      9.39224432    -16.40533375
  O     15.53684634      9.07082933    -10.16245192
  H     15.27845984     11.65635987    -15.95646568
  H     10.69302445     10.16703142    -12.62046161
  O     11.47499145     11.51484225    -15.00460483
  H     13.03059100     11.01718768    -14.01331028
  H      9.53304236      9.26577259    -13.09106039
  O     16.77938576      7.13441192    -17.04656677
  H     14.53204535     11.35657186    -14.09808473
  H     15.02292249     12.82558773    -11.15683012
  O     13.95800789     11.32037519    -10.86514323
  H     12.57397641     13.98220726    -13.35905316
  H     15.17118060     13.90188230    -12.25957162
  O     18.97493705      7.53384321    -15.51872615
  H     11.52605252     13.04103399    -13.95792531
  H     11.84813928     10.28806762    -18.35051562
  O     17.87192543      8.93217062    -13.37115731
  H     15.59068784      8.57384078     -9.35086634
  H     13.03795186     10.26932061    -17.36127171
  O     18.88324397     10.18274140    -16.64488858
  H     16.41668067      9.46132216    -10.31426407
  H     17.93293930     10.61426462    -13.99541950
  O     18.20072881     12.79818708    -11.80603814
  H     11.60314276     11.18144755    -15.90006773
  H     18.16982061     12.06315461    -13.52069152
  O     14.78167077     10.17826557    -16.96964553
  H     10.94253159     10.86233118    -14.52800041
  H     14.52936257     15.26309887    -14.35796057
  O     10.40706367      9.56347488    -13.33063616
  H     16.79941648      7.86041685    -17.68095453
  H     14.79352899     13.74784459    -14.48418612
  O     15.62310681     13.49485079    -11.51111171
  H     15.95265537      7.22699542    -16.55208226
  H     14.79975946      7.86802911    -14.58570930
  O     12.06835812     10.24618646    -17.42376010
  H     13.89609365     11.18480442    -11.82383923
  H     13.56558160      7.76573906    -15.51082981
  O     17.99787414     11.52994968    -14.30682387
  H     14.44363943     10.56523830    -10.51284046
  H     11.28495786     12.28532390    -12.01229963
  O     14.40612759     14.42883533    -13.91072787
  H     18.19991802      7.29895122    -16.06022497
  H     12.05744155     11.35791541    -11.06669870
  O     14.53370387      7.79642022    -15.51166496
  H     19.59863366      6.81780027    -15.60042294
  H     17.71214040      9.88133071    -17.88986497
  O     11.22262873     11.44017531    -11.54262984
  H     16.93803825      8.69736439    -13.27641076
  H     17.35147866      9.77674415    -19.39164226
  O     17.01246902      9.61773368    -18.51527500
  H     18.26631370      8.35240123    -14.03339629
  H     15.21381036      8.51586092    -11.94621243
  O     15.16947779      8.49357414    -12.90951552
  H     18.69412900     10.78016675    -15.91032821
  H     14.66981171      9.28151107    -13.17626992
          69
 Energy    -247.95751326835563     
  O     17.74410231      8.10159491    -15.87347243
  H     18.25583221      8.17695906    -15.06088762
  H     16.04303654     10.94265799    -17.85125272
  O     14.75049702     10.22417341    -11.37102005
  H     16.89549242      7.71885430    -15.61472033
  H     18.01973935     14.06448031    -13.03084012
  O     15.20027462      7.45675410    -14.82625207
  H     15.37732594      9.59133973    -11.74754439
  H     18.81464290     12.74047342    -12.92065267
  O     13.02563045      8.63497254     -9.96092260
  H     15.20459814     11.07349952    -11.27921110
  H     13.89186544     13.43995802    -14.90734824
  O     14.65773491      6.51521445    -11.01556279
  H     14.83663825      8.29144877    -15.15758830
  H     13.06585189     12.61486853    -13.88711500
  O     16.32126633     11.47483222    -14.15050979
  H     14.46955362      6.95107445    -14.44944131
  H     18.06379953      8.41735101    -12.85573503
  O     12.87518826     10.79392376    -13.42760228
  H     13.64017266      9.26969096    -10.36914691
  H     19.52992074      7.93106553    -12.82083009
  O     16.36373629      8.15919690    -12.39968107
  H     12.82427020      8.96702414     -9.09009340
  H     12.49347988      5.50894847    -13.66039292
  O     19.07592132     11.22694104    -14.01496065
  H     14.14519835      6.25285672    -11.79097876
  H     12.54813864      6.96806731    -13.14904590
  O     14.46491544     10.00352292    -15.55045341
  H     14.08230439      7.10634747    -10.51415916
  H     14.07055806     14.52168121    -12.92047994
  O     17.58632969     10.34375907    -17.47441294
  H     16.11998134     11.87002825    -13.29356689
  H     14.06621555     15.64731657    -11.85541481
  O     15.14033841     11.29895392    -17.96584628
  H     17.27755285     11.33934363    -14.17889680
  H     18.17884503     14.70034768    -15.67412415
  O     18.45178944     13.47109221    -12.40225489
  H     13.50295946     10.63403025    -12.70856217
  H     17.35647437     13.82925965    -16.60776974
  O     13.33503975     13.51214387    -14.12485153
  H     13.29874122     10.47139723    -14.23678147
  H     15.47466898     13.44706329    -11.67229149
  O     18.93895834      8.53555085    -13.26300245
  H     15.92817256      7.53745535    -11.79796059
  H     16.92210757     12.89114881    -11.67560074
  O     13.09447016      6.21413876    -13.43497588
  H     16.00590795      7.96390478    -13.27796417
  H     15.86237286     12.67824473    -15.37797581
  O     14.62433431     14.99923489    -12.27581716
  H     19.16712855     10.29887700    -13.76342660
  H     15.29622001     12.75182700    -16.81412151
  O     18.25807048     14.13686210    -16.45093414
  H     19.45158286     11.35002366    -14.89569785
  H     11.99709589      8.42769925    -11.56147676
  O     15.99212102     12.63946649    -11.56642918
  H     14.53378334     10.35184752    -16.44629787
  H     11.92344414      9.22001960    -12.87908474
  O     15.53554558     13.29636381    -16.05301676
  H     15.17246533     10.42910839    -15.03862676
  H     16.14656310     15.25529213    -13.44132048
  O     11.72694708      8.36030848    -12.48635861
  H     18.39057994     10.83855916    -17.28862504
  H     16.30818237     14.63519392    -14.82702900
  O     16.80068545     15.08977923    -14.13198508
  H     17.64659227      9.52183136    -16.96444231
  H     19.34471196     12.76178159    -16.59589947
  O     19.82748040     11.91705539    -16.63104996
  H     14.90919008     11.18538663    -18.88291133
  H     20.64360397     12.08343462    -17.09518472
          69
 Ord_Energy   -247.957428    
 O    2.90401959       10.4962130      -11.9884596    
 H    2.53821468       9.66577911      -12.3198490    
 H    3.86404657       10.3725300      -11.9733486    
 O  -0.834553063       10.8989353      -14.1565752    
 H   -1.75408316       10.7379122      -13.9135475    
 H  -0.479928553       10.0445480      -14.4306669    
 O   -2.30940342       7.58377075      -13.4269629    
 H   -2.78537393       8.42378902      -13.4202824    
 H   -1.48965025       7.74413633      -13.9098701    
 O   0.619994402       11.9136715      -8.41153336    
 H   0.439047366       12.7098742      -8.93468761    
 H   -3.81730013E-02   11.8347759      -7.71113539    
 O   0.232119575       7.70269012      -10.7709703    
 H  -0.547855437       7.14128113      -10.8454714    
 H   -6.52630106E-02   8.62262821      -10.6923151    
 O    2.83639741       10.4902515      -9.16032028    
 H    2.78986478       10.5247126      -10.1257410    
 H    2.14782262       11.0733681      -8.81186485    
 O   -3.47128201       10.1667290      -13.2810230    
 H   -3.43942952       10.3192043      -12.3203821    
 H   -4.30814362       10.5074615      -13.5859318    
 O  -0.765795588       8.69803238      -7.26447105    
 H   -1.42929959       8.38668919      -7.89506292    
 H    9.25858468E-02   8.37741184      -7.56408167    
 O   -3.13056135       10.5079288      -10.6138763    
 H   -3.44716096       10.7948761      -9.74649620    
 H   -2.16202760       10.5373173      -10.5869389    
 O    5.49707508       9.62464905      -11.6791821    
 H    5.28771734       8.69999027      -11.8608122    
 H    5.65145493       9.67242813      -10.7272739    
 O    4.29830503       7.06572819      -9.23289299    
 H    3.41291690       7.20038509      -8.87075424    
 H    4.80351114       7.85018301      -8.98384476    
 O   -2.13259244       6.22585678      -11.1073151    
 H   -2.30939770       5.29969454      -11.2462044    
 H   -2.26101422       6.67130756      -11.9649324    
 O   -3.73087168       10.7255135      -7.92866898    
 H   -2.96781135       11.0215721      -7.41525412    
 H   -3.70688200       9.76424408      -7.88569117    
 O   0.745245814       12.1941280      -12.3560848    
 H    1.59155381       11.7256041      -12.3334618    
 H   0.220424041       11.8420048      -13.0913877    
 O   0.215238348       13.9028730      -10.2490854    
 H   -9.62707922E-02   14.7586889      -10.5305166    
 H   0.404359996       13.4036961      -11.0607872    
 O    1.72783887       7.97969818      -8.47152901    
 H    1.22336566       7.75003529      -9.26616478    
 H    2.10770035       8.85341167      -8.64159489    
 O   -1.29767716       11.2115002      -6.49542093    
 H   -1.07990360       10.2813864      -6.69955587    
 H   -1.27791905       11.2982559      -5.54608774    
 O   -2.84189963       8.08042145      -9.08582211    
 H   -2.98329306       8.83393288      -9.67331409    
 H   -2.71075463       7.32735729      -9.67403412    
 O    2.03730607       7.93582344      -12.7958813    
 H    1.42262745       7.76635456      -12.0644541    
 H    2.87744522       7.51339197      -12.5769053    
 O  -0.386163056       10.3855305      -10.5348511    
 H   -8.82487372E-02   10.7850075      -9.70721817    
 H   -4.66293097E-02   10.9496660      -11.2418804    
 O    4.49235153       6.90848064      -11.9289083    
 H    5.01661253       6.14994860      -12.1717882    
 H    4.41148233       6.89313364      -10.9579706    
 O    5.41805696       9.65507030      -8.80300617    
 H    4.52143478       10.0317450      -8.83908653    
 H    5.88658142       10.1253014      -8.11854076    
 O   0.140524462       8.27315998      -14.7396288    
 H   0.460540920       7.99668264      -15.5949402    
 H   0.867619991       8.13286400      -14.1105471    
          69
 Energy    -247.95740407057082     
  O     17.69081367     13.03363378    -14.60477203
  H     17.89780995     13.95066017    -14.44754483
  H     17.49980622      3.74313177    -13.23115868
  O     14.29075421      6.51575369    -14.39533917
  H     16.72779163     12.93936141    -14.48989214
  H     20.74444585      9.30346144    -15.71837767
  O     17.89353698      6.84636169    -12.45096454
  H     14.57274122      6.06731218    -13.58644812
  H     19.41408925      8.61788454    -16.09284397
  O     18.44152589      7.23791348    -16.73013368
  H     13.90727793      7.36242266    -14.12425805
  H     16.40991301      8.63887108    -15.27346481
  O     16.20957723      7.50500150    -18.43832826
  H     18.44110085      6.09898305    -12.72381805
  H     15.89504008      7.33671349    -14.63027982
  O     15.96486965      9.52992682     -9.88910690
  H     17.55333725      7.27401534    -13.25012864
  H     14.43692812     12.11006559    -14.76917013
  O     13.57519166      9.04135960    -13.50473329
  H     17.85137742      7.33161987    -15.96430733
  H     15.23076773     11.88253570    -13.47842461
  O     16.44918723      3.31145685    -16.09305129
  H     17.86273590      7.31961751    -17.49759626
  H     12.85218470     10.91064902    -16.49582194
  O     13.95952012      7.71852418    -10.91696020
  H     15.99905128      7.36360187    -19.35675061
  H     14.26166642     10.37494190    -16.15086387
  O     19.00081271      4.57814707    -15.98255863
  H     15.75395821      6.80676298    -17.93073561
  H     20.06122761      4.11324435    -13.01603881
  O     15.04223383      5.61940431    -16.92257162
  H     15.99818927      9.91394570     -9.01718951
  H     19.25569064      4.55109237    -14.26472477
  O     16.57980040      3.50048038    -13.39194574
  H     16.88490236      9.34477805    -10.15095872
  H     16.26524478      6.03375310    -12.02369149
  O     19.79656377      9.40599349    -15.67493236
  H     14.39037651      9.44896183    -13.17368707
  H     14.82620659      6.23460800    -11.49897920
  O     16.68491576      7.88491547    -14.73606810
  H     13.29903285      9.60129424    -14.23916621
  H     18.32075952      8.23749860    -11.36332024
  O     15.06785128     12.53376279    -14.17708480
  H     16.25059148      2.41161797    -16.33884885
  H     18.62306250      9.71342729    -11.65468351
  O     13.45434090     10.76402164    -15.77106739
  H     16.41562353      3.34724706    -15.11989554
  H     17.92207073     11.99707845    -16.15935919
  O     19.26028090      4.55101618    -13.29079230
  H     13.61121021      8.19120681    -11.68176709
  H     18.71229839     10.73031882    -16.53848750
  O     15.39222746      5.61868378    -11.98644052
  H     14.59033981      8.31423133    -10.49332319
  H     15.78823145     10.23047612    -11.58354516
  O     18.43038121      9.09992536    -10.93519141
  H     18.89892039      5.46801749    -16.34337081
  H     16.68000991     10.31757853    -12.85093983
  O     17.99247172     11.30397455    -16.82869669
  H     18.16832519      4.11825023    -16.15185855
  H     18.31001311     11.47403263    -13.72117756
  O     15.77446624     10.41795893    -12.53022983
  H     14.63382487      5.90419429    -16.09348610
  H     18.90602217     10.10105706    -14.10122140
  O     18.47415720     10.58278145    -13.38607840
  H     15.50128307      4.79565318    -16.71733543
  H     16.53178416     10.31146387    -16.81773177
  O     15.79232141      9.69399711    -16.70760108
  H     16.05144150      4.08843097    -12.83628034
  H     15.88264640      9.00138343    -17.37406808
          69
 Energy    -247.95740175703529     
  O     -7.53489934     -1.52333311      6.52245121
  H     -7.56356269     -2.16200892      5.80004349
  H     -8.03254984     -0.01133577      3.65239088
  O     -9.63128032     -0.99340048      3.65881694
  H     -6.63932232     -1.16391327      6.54630679
  H     -4.72391098     -0.48965698      5.45369535
  O     -7.98180179     -3.17781647      4.20263361
  H     -9.17303763     -1.83464123      3.80563806
  H     -4.10485806     -0.76234414      6.84459902
  O     -5.66298375      0.89470511     -0.05251098
  H     -9.84846998     -0.65340474      4.53906383
  H     -1.27106957      3.59928291      0.49407063
  O     -5.40163954      2.40272697      6.01572640
  H     -8.12621409     -4.11794985      4.26985036
  H     -2.59336581      4.11340629      1.11544561
  O     -5.72982359      5.55874312      0.03059413
  H     -7.22955281     -3.05097413      3.59673302
  H     -8.69916329      4.24678761      3.32346021
  O     -4.76131383     -0.41308814      3.68391212
  H     -6.47097849      1.27194131      0.32226405
  H     -9.91027606      3.30520200      3.53393990
  O     -4.54363769      3.33377239     -1.01697556
  H     -5.83342952     -0.04771413     -0.16646295
  H     -9.77665503      1.86085844      1.99650929
  O     -9.77025920     -0.03202753      6.29183245
  H     -5.17312254      1.50242006      6.26795465
  H    -10.51121081      0.88984827      2.91892858
  O     -6.55103203     -1.80692914     -0.09325028
  H     -6.36586809      2.45636758      6.09138219
  H     -5.37942233     -1.97757741      2.92759288
  O     -3.74045217      1.41340717      1.90504729
  H     -5.35344389      4.77749625     -0.41233103
  H     -6.05047578     -2.45627618      1.62161667
  O     -7.30307814      0.61976815      3.64675952
  H     -5.89096161      6.20957697     -0.64720411
  H     -8.73282551      0.11407515      0.79172487
  O     -4.89473694     -0.44925952      6.41021410
  H     -5.65647131     -0.03575043      3.66675457
  H     -9.30489500     -0.98664486      1.69957034
  O     -2.18744154      3.37415906      0.62668395
  H     -4.21969906      0.15043943      3.11654209
  H     -8.80147940      1.60973981      6.02674717
  O     -9.34135086      3.94818269      3.97928778
  H     -3.67058569      3.31215163     -0.60481267
  H     -8.60133854      2.93337580      5.21521648
  O    -10.53689585      1.79078490      2.58754086
  H     -4.93172917      2.46398456     -0.86132205
  H     -4.04185782      4.76537281      2.63633386
  O     -5.91760389     -2.68586301      2.54855377
  H    -10.36360362     -0.14317276      7.02983246
  H     -4.29073702      5.56384991      1.34333536
  O     -8.91650239     -0.83350102      0.83129490
  H     -8.97085644     -0.55755468      6.48399447
  H     -4.60574877      2.69119607      2.98594187
  O     -8.14771973      2.25768405      5.74386538
  H     -6.66610944     -2.36371283     -0.85943941
  H     -5.09268423      3.11917810      4.40207983
  O     -3.59498540      5.27772044      1.94760456
  H     -7.44185586     -1.54255112      0.19887698
  H     -7.67752504      1.38523072      2.09675425
  O     -5.02601477      3.40595607      3.48018225
  H     -3.07376075      1.98654311      1.50775933
  H     -7.77692578      2.75861696      1.39834791
  O     -7.95450401      1.81557457      1.27073120
  H     -4.37614609      1.20114683      1.20624178
  H     -6.83343721      4.85894113      1.36337815
  O     -7.22778548      4.32312936      2.06195759
  H     -7.47503434      1.24887741      4.36126658
  H     -6.49683687      4.02673928      2.62666471
          69
 Energy    -247.95739254395369     
  O     17.16636503     10.47486797    -17.89949904
  H     17.29686606      9.96798165    -17.08260902
  H     17.53542252      5.78744325    -15.44915236
  O     16.12170497      5.79252871    -12.60766910
  H     16.26832354     10.83655404    -17.90409031
  H     18.12935760      8.00080714    -11.42062101
  O     16.74375386     14.02535160    -12.55286413
  H     16.28822156      5.66813154    -13.55949967
  H     17.74204873      6.61686350    -11.96184298
  O     21.37456373      9.85238874    -13.89746446
  H     15.88537032      4.93771033    -12.25763331
  H     20.57929250      9.40815574    -17.09847593
  O     15.18886875      6.92881307    -17.33157766
  H     17.05434926     13.61943787    -13.37723850
  H     20.27917085     10.89544261    -16.77754442
  O     14.04340386     11.04711320    -12.47973953
  H     16.37687037     14.87088101    -12.80039238
  H     18.07044806      9.52209774    -14.85754375
  O     14.98354783      8.35071825    -12.65547786
  H     22.23768988     10.20217156    -13.69468288
  H     18.13824055      8.17401624    -15.63589780
  O     17.51163270     12.60546907    -14.80369620
  H     21.24963937      9.94602212    -14.85962481
  H     13.80805907     11.81857068    -18.12923281
  O     20.54521907      7.12652280    -13.55168371
  H     14.35884814      6.66230130    -17.72019246
  H     14.59293866     11.75983145    -16.80629818
  O     14.98084138      8.89373308    -15.39951742
  H     14.98267916      7.63716644    -16.69934060
  H     16.82503121     10.47249275    -11.06889215
  O     19.09845482      6.62811267    -15.77561906
  H     14.18971261     10.09484064    -12.41108327
  H     16.39673394      9.21049929    -11.86186744
  O     16.62140374      5.53320309    -15.25303501
  H     14.60678269     11.44786651    -11.80716182
  H     16.31446530     12.83194914    -11.31750977
  O     18.49701337      7.14788242    -11.68100520
  H     14.90603185      8.47408343    -13.61179224
  H     15.93644637     12.54101329     -9.84662914
  O     20.84159318     10.14980101    -16.53946832
  H     15.27000214      7.43630952    -12.53251711
  H     19.65216381     10.32990604    -13.48371612
  O     17.66494956      9.01290811    -15.57003620
  H     17.95739376     11.91003260    -14.29269356
  H     18.26902992     10.19856368    -12.73087383
  O     14.66854517     11.62803962    -17.76577830
  H     18.00294221     12.67808754    -15.62876525
  H     19.16915073      7.82591588    -18.44315770
  O     17.15338724      9.64543982    -11.44127550
  H     19.89354038      7.11593887    -12.83385703
  H     20.63104738      7.48531640    -18.81217852
  O     16.02929663     12.13356629    -10.70405247
  H     20.91644010      8.01487211    -13.57891544
  H     14.47526542     11.57294250    -14.14407505
  O     18.71353080     10.55193354    -13.51339845
  H     14.77180270      9.83472381    -15.36580484
  H     15.73269246     12.01863810    -14.95161842
  O     20.08720029      7.85263389    -18.11996021
  H     15.95235545      8.84765345    -15.39529308
  H     18.36464872     11.70151555    -17.57910255
  O     14.82460126     11.69996645    -15.03810079
  H     19.68015192      6.73159920    -15.00482097
  H     19.24208350     12.92922233    -17.91985642
  O     19.02473104     12.32003585    -17.21859384
  H     19.58123785      6.90325666    -16.56214346
  H     17.31792668      8.83338463    -18.74901186
  O     17.46696570      7.88571445    -18.87708234
  H     16.09306616      5.87178177    -15.98309962
  H     16.74140486      7.44975005    -18.41583879
          69
 Energy    -247.95719977163580     
  O     20.35444731     12.58510137    -19.22919584
  H     20.75427082     12.21481124    -20.01182386
  H     13.09714903     12.70457614    -13.95871175
  O     18.46159322     17.72141162    -13.80774569
  H     21.07450605     12.97088259    -18.69979151
  H     22.10323397     14.79967490    -15.32138091
  O     15.84867397     14.41685876    -13.65581748
  H     19.42187243     17.83608707    -13.77832922
  H     22.17836410     14.33960597    -13.86419195
  O     16.56961313     13.44483169    -17.93973167
  H     18.14924922     17.98073454    -14.68835783
  H     18.55887970     12.44717271    -13.68377309
  O     16.01002222     10.61871281    -13.84235720
  H     16.55310483     13.76991477    -13.50032563
  H     17.23923847     11.76284373    -13.22239681
  O     14.55677789     11.79972097    -17.07812647
  H     16.03625628     15.16182104    -13.07155920
  H     16.79432064      9.01176493    -16.89821890
  O     22.21598249     13.79987249    -17.67394095
  H     17.29266873     12.86554662    -17.66541981
  H     17.38133376     10.43704331    -16.79791044
  O     16.83313146     16.50339298    -12.03946858
  H     15.75784139     12.94233169    -17.77795680
  H     16.97091787     17.30402067    -16.41764752
  O     19.81959582     12.75531560    -14.97890253
  H     15.20866880     11.14179510    -13.96710027
  H     18.21365120     17.91721427    -17.09027423
  O     18.63834838     14.90100630    -19.17677906
  H     16.23417858     10.27086493    -14.71455354
  H     22.09498644     15.21370441    -11.49221732
  O     21.12049835     16.13640267    -16.50494395
  H     14.25049986     12.07003943    -16.20355095
  H     20.68224151     14.99037622    -12.07545061
  O     13.94170132     12.55019686    -14.37500968
  H     15.13985870     11.04430797    -16.93009591
  H     21.35145873     17.21742180    -14.83763992
  O     22.31906493     14.03635671    -14.77203639
  H     22.54215108     13.48397415    -16.82590741
  H     21.41459833     16.78158516    -13.35614865
  O     17.82205086     12.51950261    -13.06270728
  H     21.86032137     14.67830790    -17.48036749
  H     18.62527435     13.83754533    -12.02554299
  O     16.63332337      9.87767827    -16.53137749
  H     16.46408419     17.11568195    -11.40864891
  H     18.30551480     15.29750750    -11.66026321
  O     17.56832469     18.06490448    -16.38973896
  H     17.38455455     17.02629749    -12.64940855
  H     19.22438933     11.84564306    -17.95308963
  O     21.60406574     15.19806411    -12.31007579
  H     20.75866960     12.94247244    -14.87253522
  H     19.08489671     11.96891419    -16.41131143
  O     21.19399832     17.52168867    -13.93691033
  H     19.40100097     13.63104787    -15.03283290
  H     18.83005722     15.99542577    -14.55777232
  O     19.01991731     14.65169387    -11.68473438
  H     17.80539004     14.50929996    -18.88412102
  H     18.02012386     15.33374309    -15.68109356
  O     18.64079022     11.64839192    -17.20996479
  H     19.23994764     14.15857641    -19.30337396
  H     19.59852776     17.91027249    -19.20877954
  O     18.85495658     15.27508097    -15.19878953
  H     20.33560854     15.76877112    -16.06771486
  H     19.17775441     16.49841961    -18.73585838
  O     19.52588922     17.35753191    -18.43501152
  H     20.76376321     16.69840841    -17.20520460
  H     16.01264028     15.18261312    -15.35172668
  O     16.28825495     15.55817300    -16.19853419
  H     14.52698588     13.27210101    -14.09331498
  H     16.28148681     14.84229911    -16.84940248
          69
 Energy    -247.95715456160229     
  O     20.08824612     10.41298729    -13.21530349
  H     20.26725032     10.88759897    -14.03461704
  H     14.16619347     10.02178278    -13.64574480
  O     20.31621261     14.45601012    -12.23283016
  H     19.71572560     11.07375422    -12.61355533
  H     17.97156211     12.15360893    -12.47396336
  O     16.81920478     11.97494144    -17.98817120
  H     21.17669151     14.26122644    -11.86947777
  H     18.16265738     12.19279687    -10.94474006
  O     20.01138293     12.07316018    -15.58294195
  H     19.74493092     13.71017789    -11.98778365
  H     12.55565059     13.82247117    -17.51072961
  O     16.06184893      9.63880940    -11.08977645
  H     17.72500552     12.10236960    -18.29650317
  H     13.52119558     12.77579819    -16.90518698
  O     16.73736677      8.21485010    -14.73273702
  H     16.53982632     12.83137607    -17.63108804
  H     18.98410758      9.11333426    -12.72816324
  O     19.57351196     12.66880628    -18.35679289
  H     19.70415200     12.91743094    -15.22263439
  H     18.84685170      7.75825702    -12.00516150
  O     13.61961801     14.73671443    -14.24771444
  H     20.04714290     12.19240808    -16.54031013
  H     16.15333343     14.50940030    -15.97181505
  O     16.79514326     12.04908524     -9.70071490
  H     16.34146512     10.38006857    -10.53884643
  H     15.03653805     14.34293264    -17.01801235
  O     17.76124171     10.48668288    -15.87323129
  H     16.86056138      9.25634076    -11.47438338
  H     14.59763681     13.64727187    -11.46516516
  O     19.07495261     14.59369878    -14.67260724
  H     17.21916921      8.16448102    -13.89983123
  H     15.88651433     14.31881634    -11.97010981
  O     14.28735534     10.60969364    -12.89056642
  H     17.17609931      8.91850895    -15.23499348
  H     16.41155812     13.57630101    -13.97809067
  O     18.63303713     12.29505907    -11.78012623
  H     19.33044173     13.57689656    -18.09756360
  H     15.37341712     14.73890232    -14.10371160
  O     13.24989518     13.71052708    -16.86692941
  H     20.15175149     12.74285850    -19.11115092
  H     12.21637105     12.69475467    -11.69619595
  O     18.33920491      8.47111923    -12.38570041
  H     13.36280305     14.38973363    -15.11162022
  H     13.40779194     12.04604341    -12.44144418
  O     15.99244599     14.43365185    -16.92099679
  H     13.26760917     14.12703316    -13.58715023
  H     13.65197788      8.25244760    -15.39340585
  O     15.48888120     13.90764843    -11.19772447
  H     16.30701867     12.73914357    -10.18588099
  H     15.10282591      8.64342643    -15.02417187
  O     16.32277024     14.53935029    -14.07003169
  H     16.75825031     12.28357520     -8.77746200
  H     17.01412453     11.34674081    -14.46640101
  O     13.01477885     12.89625433    -12.17695901
  H     18.61202791     10.92000680    -15.72375308
  H     15.86201845     11.44206889    -13.42128354
  O     14.20830243      8.99757504    -15.18163466
  H     17.36872788     10.92371399    -16.64014840
  H     18.97948411     15.05155921    -16.48202214
  O     16.67404072     11.86427780    -13.72573472
  H     19.59812290     14.69121468    -13.86446531
  H     17.76431748     15.04399441    -17.42147236
  O     18.72952633     15.06288114    -17.41716349
  H     18.14990027     14.69680907    -14.41344952
  H     14.25241579     10.43910011    -16.44582177
  O     14.21675091     11.18827912    -17.05124797
  H     14.83036807     10.15736373    -12.22420389
  H     15.07732394     11.25399888    -17.48259999
          69
 Energy    -247.95706463487352     
  O     15.85545416     14.42617315    -10.05338705
  H     16.30275212     14.25664286     -9.21472277
  H     15.05527183      9.79941374     -7.33450458
  O     18.89490508      6.20494582     -6.63403345
  H     15.11304581     13.80927422    -10.08793114
  H     17.38074501     11.09142655    -13.00503992
  O     16.36847529      5.23455649     -6.79675032
  H     18.99260584      6.70258029     -7.45842147
  H     15.89037055     10.99250278    -13.39815824
  O     12.44584063     10.16791306     -9.17513219
  H     18.85884797      6.86716425     -5.93306945
  H     18.67207135      8.45836276    -12.09156427
  O     18.51969679     11.64239005    -11.39838240
  H     16.30618168      4.29350732     -6.66105044
  H     19.12266110      9.79521290    -11.47275130
  O     19.32907848     12.09870212     -8.83023391
  H     17.31128912      5.47077531     -6.72371919
  H     16.92051492     14.25349388    -11.44767399
  O     17.33477469      7.98499932    -13.37045944
  H     12.58607531      9.81439951    -10.07230584
  H     17.78335308     14.87891615    -12.56067925
  O     15.89886209      7.13717785     -8.80575406
  H     11.50664618     10.13068622     -9.01198052
  H     18.43398492      8.36919000     -3.83768689
  O     16.40143210     10.98049314     -7.51399868
  H     18.25890430     12.51789246    -11.72338090
  H     17.35848068      8.13630961     -4.92404239
  O     14.06797379     12.25917564    -10.28213576
  H     18.92122250     11.78550920    -10.52566238
  H     13.79533549      8.78589699    -11.61987751
  O     17.15499710     13.62962161     -7.65096386
  H     18.72948838     12.75568330     -8.45764464
  H     13.24688034     10.04910692    -12.29873863
  O     14.41824387      9.07314375     -7.41262351
  H     19.36218725     11.38150287     -8.18424700
  H     15.98917503      9.74934613    -10.63107831
  O     16.76346709     10.62071233    -13.57438067
  H     17.46187260      7.55874021    -14.21324758
  H     17.02463481     10.92237068    -10.63581474
  O     19.19134624      8.83846834    -11.37284246
  H     17.11213419      8.91676295    -13.55289840
  H     18.82175957      9.47760622     -6.17235205
  O     17.52573071     14.04395437    -12.17964556
  H     15.98528541      6.37791100     -8.21691917
  H     18.87264735      9.22945699     -7.69932383
  O     18.30073064      8.33620449     -4.78119665
  H     15.36519359      7.79559181     -8.33810357
  H     17.68514420      7.68116660     -8.89586757
  O     12.99935028      9.33209079    -11.70461464
  H     16.34974166     10.83535092     -8.47261903
  H     18.89636571      8.17929779     -9.74458744
  O     16.22373583     10.58715625    -10.21334668
  H     17.25215005     10.61262107     -7.23492014
  H     15.61992957      7.59670576    -10.51915268
  O     18.90281404      9.92506045     -7.02331598
  H     14.86631712     11.70510800    -10.25786031
  H     16.09132749      7.89289811    -11.99376342
  O     18.62569072      7.89769666     -8.85905906
  H     13.39656976     11.75145821     -9.81411831
  H     15.14189507      8.11875401     -5.91452567
  O     15.44125441      8.11476732    -11.31644240
  H     17.17150408     14.05685976     -6.79785756
  H     15.81356771      6.74381088     -5.73202523
  O     15.72153092      7.61645056     -5.32877485
  H     16.79371670     12.73868859     -7.51011993
  H     13.79158196     12.36504066    -13.55914651
  O     14.13330143     11.66998989    -13.00094329
  H     13.68970154      9.40432848     -7.95062396
  H     14.07170693     11.99568658    -12.08863465
          69
 Energy    -247.95694675699951     
  O     -2.08776924      2.29755986      0.50838099
  H     -2.39407175      1.90876692      1.33888117
  H      0.43433884      0.50982464      3.69403157
  O     -0.49714151     -2.32415570      7.62082119
  H     -1.12402854      2.26996029      0.55741036
  H     -2.52118639     -1.75198338      0.91182063
  O     -0.98375380      0.29313259      4.98994042
  H     -0.38383528     -3.17708944      8.03175326
  H     -1.27790189     -1.01953946      0.30132472
  O     -2.01602947     -0.05667376      7.61059306
  H     -0.51259555     -2.48590696      6.66246653
  H     -4.18942787     -0.11598324      2.94200041
  O      0.47219435     -2.38196475      2.46346334
  H     -0.88392846     -0.66711209      4.91239607
  H     -5.49857332     -0.53770648      3.68852128
  O     -0.78648378     -2.50748023      4.89608083
  H     -1.32754293      0.43263010      5.87915517
  H      0.83921403      1.28299156      1.47034123
  O     -3.64410159     -4.75939965      2.14944978
  H     -1.45211422     -0.84174360      7.72691297
  H      1.46878411      2.34487781      0.54105706
  O     -2.73231694      0.99538695     -1.78464094
  H     -1.99965388      0.41924329      8.43679378
  H     -7.17948892     -0.32493223      5.69124828
  O      1.20255999     -4.27899700      0.54673039
  H      0.85430329     -3.05877916      1.89372310
  H     -5.67998427     -0.64694854      5.81855156
  O     -2.01429589     -3.88583381     -2.20164525
  H     -0.32304366     -2.06168546      2.00795373
  H     -0.27657453     -3.20986958     -1.94914083
  O     -1.59470912     -4.94801961      0.41251998
  H     -0.25461149     -2.59050793      4.09317544
  H      0.37474999     -1.88764142     -1.50707635
  O      1.00246898      0.36054633      2.92879556
  H     -1.70982421     -2.67387089      4.65552744
  H     -2.21051953      0.03521459      2.19194296
  O     -1.67689662     -1.33583299      1.12176305
  H     -4.09708401     -5.59845332      2.15972469
  H     -2.09428174      0.70658469      3.58239431
  O     -4.88952312     -0.78354076      2.97870345
  H     -2.86791126     -4.86756820      1.57029620
  H     -1.06047434      0.19119921     -1.49759241
  O      0.72580983      1.75338811      0.62506134
  H     -2.59951526      1.49454003     -0.95883914
  H      0.15008704      0.44941917     -0.55880862
  O     -6.34528742     -0.23864422      5.23829162
  H     -3.02192297      1.62565074     -2.43909735
  H     -3.39195145     -0.79506791     -1.80735120
  O      0.55331181     -2.82932290     -1.63376875
  H      1.95141546     -4.84097497      0.36893125
  H     -4.00911345     -1.91815192     -0.93462589
  O     -2.59463418      0.72373449      2.75679783
  H      1.05497683     -3.74404904     -0.25512365
  H     -3.97307721     -2.09111903      5.93520516
  O     -0.29501141     -0.22888569     -1.08462282
  H     -2.58339026     -3.10168827     -2.10352879
  H     -3.56626158     -0.99133551      6.94637719
  O     -3.59839752     -1.73620977     -1.79254226
  H     -2.32311930     -4.35151000     -2.97420929
  H     -3.91776108     -2.12221756      3.81747440
  O     -4.31865741     -1.48846454      6.60518794
  H     -0.65146058     -4.80937606      0.55315582
  H     -3.49966352     -3.59486432      3.61253887
  O     -3.43316909     -2.85322697      4.22644070
  H     -1.77872712     -4.63574496     -0.48268629
  H     -4.20902952     -3.22415498      1.19903061
  O     -4.31178227     -2.35005895      0.80438915
  H      0.99833981     -0.59409343      2.77800034
  H     -4.66683534     -1.76994921      1.49443065
          69
 Energy    -247.95679181734869     
  O      5.15131771      1.91593139      5.72248025
  H      5.64454565      2.19447961      4.94154900
  H      8.95071174     -1.29882868      0.83257985
  O      6.37137392     -4.30339770     -1.14769870
  H      4.65530784      1.12664998      5.46398476
  H      7.04023294      1.88127515      8.27852780
  O      8.97784817     -3.05879968      6.77790388
  H      6.46622585     -3.39742529     -1.46429782
  H      6.26521648      1.50518176      6.99163716
  O      6.92691183      2.40621010      3.51252445
  H      5.90964297     -4.22323596     -0.30139538
  H      4.06095301     -4.38871556      4.80843578
  O      3.24583146     -4.29448494      3.13442361
  H      8.25176733     -2.53430886      7.16295048
  H      5.49566619     -4.34160195      5.38051430
  O     10.07604186     -1.46682032      4.67572572
  H      9.42097584     -3.48858360      7.50445937
  H      7.31812674     -0.79248650      4.68898491
  O      8.42010572      0.69517794      5.22574047
  H      6.68705010      1.70303385      2.88366149
  H      6.84146371     -2.25864914      4.42756107
  O      8.09792319     -4.34037594      2.27977696
  H      7.11963224      3.18399350      2.99583155
  H     10.03691862     -1.96244662      3.00756529
  O      2.83936974     -1.64829190      2.72423745
  H      3.02096415     -3.35492270      3.00573831
  H     10.88067883     -2.49607921      1.82854746
  O      4.16833028     -2.27826419      7.29711199
  H      2.49049949     -4.80063105      2.84697194
  H      7.25385386     -1.27014445     -1.01482985
  O      4.65868418     -1.30640996      0.49614408
  H      9.81664111     -2.04395949      5.40387810
  H      6.74636553     -1.01027577     -2.45106660
  O      8.34509418     -0.79501698      0.27719307
  H      9.66039096     -0.61323793      4.85952250
  H      6.50035468     -0.39856190      2.74610396
  O      6.98071221      1.22414281      7.59077427
  H      8.06870398      0.89388421      6.10294578
  H      5.69028401     -0.17221867      1.44826509
  O      4.56119584     -4.34285894      5.63230126
  H      8.04050490      1.35013027      4.62621639
  H      4.99731103     -0.86590954      4.72141367
  O      6.66380014     -1.33224738      4.22826057
  H      8.24965925     -4.94203205      1.53647490
  H      3.96709487     -1.09980352      5.83783044
  O      9.98891608     -2.27508049      2.08727451
  H      8.73323034     -3.61864600      2.18831713
  H      7.72403207     -5.29048952     -0.53926062
  O      6.54689077     -1.48602969     -1.64935314
  H      3.30950389     -1.34816012      1.93766578
  H      8.40339842     -6.66357230     -0.40411152
  O      6.36796401      0.22222324      2.01268792
  H      3.20285271     -1.16876795      3.48115860
  H      6.92607555     -0.63854565      7.78069180
  O      4.11639502     -0.59936052      5.02592004
  H      4.27182787     -3.06729524      6.73269621
  H      5.98272662     -1.84973524      7.62635070
  O      8.38951555     -5.78619548     -0.03149702
  H      3.53855424     -2.50536801      7.97553450
  H      4.78979024     -4.09200727      2.07825682
  O      6.90859271     -1.60234720      7.73942639
  H      4.92829884     -2.15844898      0.87660979
  H      6.33278356     -3.93541095      1.83375887
  O      5.45710280     -3.76809286      1.46233393
  H      5.09389804     -1.27217300     -0.36376231
  H      7.60062627     -4.27537279      3.99784283
  O      7.19940929     -4.02588900      4.84257582
  H      7.74840918     -0.34238690      0.88788265
  H      7.90027970     -3.85128188      5.48274828
          69
 Energy    -247.95678266846267     
  O     12.26205528      8.79659998    -10.11558671
  H     13.09204092      9.21825675     -9.82209099
  H     13.85873493      6.04136541    -15.62729494
  O     15.93656297      4.84393860    -12.59902357
  H     11.55927957      9.17648669     -9.59687334
  H     17.91584671      7.04137727    -15.45930435
  O     15.51284363     11.16355123    -11.69600814
  H     15.02214003      4.57074457    -12.46271488
  H     19.24159358      6.69673239    -16.17741388
  O     17.93956375     10.42242237    -13.08585264
  H     16.19219237      4.60659654    -13.50407115
  H     16.85788862     10.71837817    -14.66587114
  O     11.55204656      8.04963386    -16.35240622
  H     16.33219220     10.87235292    -12.11340073
  H     16.24656644      9.58065580    -15.47849285
  O     16.14828552      7.46929160    -10.01947061
  H     14.85926815     11.22178222    -12.40299957
  H     15.58315634      6.65703872    -12.70040685
  O     12.58875938      6.29867143    -14.33339434
  H     18.67389925     10.97067983    -12.81785951
  H     14.61917558      7.89815243    -12.70297160
  O     13.79878628     10.90874566    -13.97305661
  H     18.24030932      9.50381402    -12.98631504
  H     14.45887680      6.56151713     -9.97841471
  O     14.33798855     10.23983711    -17.50123485
  H     11.73186698      7.38196343    -15.67969269
  H     13.00010932      7.04314451    -10.05052454
  O     16.66829484      4.43506058    -15.19281296
  H     12.15187557      7.85674911    -17.08406290
  H     18.65006797      4.96484593    -10.81980810
  O     16.35166387      7.83944256    -15.32084885
  H     16.90544522      6.87741469    -10.07619346
  H     17.35255577      5.30142063    -11.58672398
  O     14.55542141      5.98163222    -16.29740241
  H     15.97669140      7.72915782    -10.93827343
  H     12.68913433      3.75895103    -11.85845306
  O     18.71521855      6.48750989    -15.40935472
  H     12.67927411      5.59260834    -13.68335743
  H     13.25424207      5.12927985    -11.41125602
  O     16.21085881     10.54366176    -15.35958075
  H     12.65329218      7.12442787    -13.82782113
  H     18.99264204      7.33834957    -13.69562681
  O     15.54580896      7.62391404    -12.72712835
  H     14.62481370     10.80456511    -14.46715658
  H     18.66248752      7.17662551    -12.20545013
  O     13.55564967      6.25899946    -10.13687572
  H     13.09538998     10.98631344    -14.62991756
  H     13.58654788      7.69598552    -19.24013673
  O     18.08609996      5.68893628    -11.07959705
  H     15.05566005     10.48692300    -16.90583184
  H     13.96666512      8.61510766    -18.05538315
  O     13.16993269      4.52153619    -12.16936295
  H     13.52478634     10.54581216    -17.07923914
  H     15.27089245      9.05556171     -9.42591302
  O     18.89945716      7.83166988    -12.87194610
  H     17.44970558      4.98506689    -15.32567578
  H     14.97018854     10.36636887    -10.18536117
  O     13.64447896      7.72628395    -18.28889858
  H     15.95341023      4.84575902    -15.69864819
  H     11.12244292     11.20167290    -16.27667215
  O     14.65822254      9.80039392     -9.46215000
  H     15.71649609      7.23342410    -15.72314106
  H     11.71243708      9.78292333    -16.09434414
  O     11.91951477     10.73310093    -16.04428488
  H     16.16564071      7.84423549    -14.36827098
  H     12.61367599      8.68854252    -11.91631276
  O     12.93163475      8.55266223    -12.81764111
  H     14.24804883      6.46568502    -17.07458657
  H     13.19312778      9.40940735    -13.18266054
          69
 Energy    -247.95663276136492     
  O     -8.17358733      1.92000966      1.21128617
  H     -8.28840079      2.78173513      0.81596986
  H     -3.17101850     -1.52571588      2.90517048
  O     -6.16613793      1.18014209      2.95286207
  H     -8.15096871      1.29007609      0.47573418
  H     -0.63883229      0.97920385      1.21043227
  O     -2.94816980     -1.57698306      1.10177110
  H     -6.92934931      1.45797286      2.42660994
  H      0.06507217      2.34972942      1.35704820
  O     -1.60081851      0.18191542     -2.46934737
  H     -6.29372604      0.25780749      3.20643773
  H     -3.11372594      3.84439025      1.23422937
  O     -5.37216850      0.97283074     -1.62357741
  H     -3.42580973     -0.73597863      1.01216890
  H     -1.98944817      2.76825688      1.06775020
  O     -4.50209016     -3.15806652     -0.61362046
  H     -3.41536001     -2.22321934      0.55981526
  H      1.07347002      0.11773142     -0.45572402
  O     -3.97622142     -1.31194439     -2.49402949
  H     -0.79081266      0.39871416     -2.94587460
  H      1.73078514      1.50949887     -0.45764427
  O     -3.01489737      2.54731746     -2.00920804
  H     -2.07839796      1.01333551     -2.33098195
  H      1.65314934      4.04721551      0.24680564
  O     -0.66867048     -0.42251440      0.08606945
  H     -6.30354352      0.74627050     -1.52630933
  H      0.59674432      3.38165213     -0.66458487
  O      0.89653891      1.07989377     -3.40846990
  H     -4.99835769      0.89851068     -0.73111766
  H     -7.50349779     -0.69320976     -0.28829525
  O     -6.11678894     -1.57866190      3.45880807
  H     -4.41852599     -4.04084253     -0.96253581
  H     -8.61043212     -0.41755628     -1.33371913
  O     -3.44621449     -1.28011776      3.80085349
  H     -4.31490424     -2.54338062     -1.34755193
  H     -1.27781793      1.19694700      4.84732468
  O     -0.60274113      1.77842071      1.75802071
  H     -3.08631521     -0.94786787     -2.58570127
  H     -1.42386649      1.37796780      3.32500498
  O     -2.77424158      3.14803899      0.65320843
  H     -4.54259929     -0.55111440     -2.30761454
  H     -5.97854769     -2.38201720      0.25583997
  O      1.77706042      0.63726443     -0.86844744
  H     -3.89708665      2.16394569     -2.08666230
  H     -6.50577229     -1.83209813      1.60588728
  O      1.12711098      3.25887956      0.14322511
  H     -2.93683090      2.84884288     -1.08984077
  H     -4.93318528      0.94724440      1.62859146
  O     -7.92293517      0.00461024     -0.82571781
  H     -1.34993478     -0.96807911      0.50107172
  H     -3.76898845      1.66045767      0.88500397
  O     -1.90790150      1.14037454      4.13173000
  H     -0.99785198     -0.22326281     -0.80232278
  H     -3.96936327      4.21378764      3.15067685
  O     -6.69802899     -1.88326921      0.66232388
  H      1.53543763      0.87499858     -4.08509556
  H     -4.00135874      5.72982394      2.87632775
  O     -4.28056006      0.84137308      0.92434583
  H      1.31262147      0.87300508     -2.55220138
  H     -4.96914858      2.26427747      3.83144250
  O     -3.76404560      4.89439170      2.48543447
  H     -5.16298403     -1.50415506      3.64355973
  H     -3.47048639      2.23933406      4.21194693
  O     -4.24496685      2.81192443      4.16511940
  H     -6.49294274     -2.10060016      4.16251766
  H      0.12614758      2.71660612     -2.75043773
  O     -0.27082487      3.40128435     -2.19697617
  H     -2.96068278     -0.47289674      4.00363751
  H     -1.22480679      3.26990658     -2.25306618
          69
 Energy    -247.95662317867996     
  O     15.85164407      5.04164111    -12.42948432
  H     16.07259555      4.73394482    -13.32168767
  H     19.28446309      6.35509497    -16.02134016
  O     14.44418873     11.33781586    -12.25529547
  H     16.63560657      4.93321448    -11.87785485
  H     16.21754625     10.89766675    -15.04076428
  O     17.10591836     11.46823900    -13.44969086
  H     15.31668293     11.49671786    -12.63260452
  H     16.09741152      9.49815770    -15.67798198
  O     11.24543238      7.62684928    -16.58475849
  H     13.94138252     10.86688869    -12.93505336
  H     15.79427130      6.88359016    -12.46564977
  O     16.80583154      6.61333674     -9.16097665
  H     17.70105949     12.21144270    -13.38230726
  H     15.26442509      8.25376937    -11.92018781
  O     12.83601660      7.00203782    -14.33558317
  H     17.54217935     10.72295060    -13.00614707
  H     14.08117157      7.65625171     -9.83242430
  O     13.33963103      9.78795838    -14.32534854
  H     11.64928308      7.30085034    -15.76835472
  H     13.63401393      6.27631761    -10.34992289
  O     13.86660435      9.98971131    -17.80023048
  H     11.87325794      7.42214567    -17.28860708
  H     17.71686554      5.60740950    -10.18982309
  O     16.50696804      4.38541042    -14.99715305
  H     17.02684196      7.55028601     -9.13685408
  H     18.59645156      4.34783382    -10.39003959
  O     16.49782170      7.81268623    -15.27877789
  H     15.84140603      6.55954396     -9.23706071
  H     12.70158142      4.55832068    -11.92797007
  O     14.60814033      6.07120076    -16.26251186
  H     12.87586775      6.52492251    -13.49887256
  H     14.11330380      5.15202380    -12.14282746
  O     18.73540290      6.21960876    -15.25250002
  H     13.06510181      7.92727990    -14.17000582
  H     17.24611739      8.76247586    -12.28853934
  O     15.73289549     10.39630502    -15.70650691
  H     14.15796115      9.96387750    -14.81041982
  H     18.76120570      8.54340305    -12.27775543
  O     15.77229898      7.83603275    -12.62730714
  H     12.61779973     10.06540263    -14.90410854
  H     19.33584631      6.61823267    -13.47719270
  O     14.06064924      6.71510069     -9.60658881
  H     13.04035818     10.26192616    -17.38098554
  H     19.11468100      6.26912047    -11.99129486
  O     18.16807107      5.05889621    -10.85886624
  H     14.57282254     10.25208178    -17.19596789
  H     17.86447017     10.03151135     -8.94580372
  O     13.17488681      5.38168106    -12.02559113
  H     17.33875128      4.85073664    -15.14739340
  H     17.72525667      9.42193297    -10.36114011
  O     18.08609850      9.22217230    -12.13282952
  H     15.84437461      4.82357634    -15.54873241
  H     13.41498651      7.27449968    -19.38950928
  O     19.49824191      6.93224459    -12.57931801
  H     15.86821685      7.22217802    -15.71675484
  H     13.64648780      8.31611702    -18.26888643
  O     17.33942354      9.43229276     -9.47016463
  H     16.22751819      7.86242982    -14.34899897
  H     15.51413171      9.43125713    -10.00925467
  O     13.43980764      7.38018134    -18.44237452
  H     14.25383358      6.40792457    -17.09487082
  H     14.51154492     10.07734436    -11.00627672
  O     14.68496689      9.28265566    -10.48051089
  H     13.97181665      6.31143266    -15.57195160
  H     10.59966117     10.78447053    -16.39567490
  O     11.43027620     10.32340063    -16.32126206
  H     18.01334520      6.86859063    -15.30697740
  H     11.24079392      9.37442327    -16.43491849
          69
 Energy    -247.95648432683856     
  O     16.98613076     10.08856428    -11.97326914
  H     17.20793001     10.92306856    -11.54016000
  H     12.98066728     10.03521082    -10.12944613
  O     14.95601725      5.44775138     -8.03635216
  H     17.77391977      9.52704186    -11.96472032
  H     14.33307703      8.41209426     -7.10146784
  O     17.59867867     12.35137569    -10.46109399
  H     15.44041808      6.18304603     -7.64171646
  H     12.92443729      7.83610367     -7.33718604
  O     12.20803880      6.19710368     -7.86135290
  H     14.02245752      5.60111733     -7.83915392
  H     17.23417664      4.48422270    -13.25612696
  O     14.62978667      9.20624855    -13.21993516
  H     17.96645329     13.20909851    -10.65595661
  H     18.40457082      3.48982392    -13.46392516
  O     19.04182738      8.24219127    -11.72033599
  H     18.19387166     11.92734603     -9.81529957
  H     15.27357741      7.00391969    -10.57805146
  O     20.51343953      8.73533209     -9.34380425
  H     12.16338553      6.37354809     -8.81845189
  H     15.07903786      5.67441919     -9.79531695
  O     17.98121247      5.81260750    -10.78362038
  H     11.41483065      5.72222594     -7.62971155
  H     18.51243147      6.11393816    -13.96154578
  O     12.35144607      6.70649751    -10.52365104
  H     14.94768709      8.54444643    -13.84508556
  H     18.78171107      7.55437485    -13.48518929
  O     15.60365830     11.91195646     -8.42791856
  H     15.42383700      9.61904551    -12.85485401
  H     17.04246848     10.93076150     -5.78708780
  O     12.36983546      9.26842699    -11.73784702
  H     18.63496687      7.42379788    -11.39959605
  H     16.49198812     11.02815792     -7.23036122
  O     13.51584793     10.32896889     -9.38302849
  H     19.66104718      8.51019911    -11.03157205
  H     16.76240787      7.27261366    -14.71955091
  O     13.41017799      8.66232368     -7.21361683
  H     21.41754411      8.52634744     -9.12459720
  H     15.74558195      7.30741611    -15.88222412
  O     18.20049764      4.37618914    -13.17984226
  H     19.95561584      8.06161282     -8.91350092
  H     14.89663111      9.22372496     -9.80670663
  O     15.15439410      6.04743865    -10.68827796
  H     17.01717370      5.84300774    -10.74239150
  H     16.18020135      9.13866755    -10.66770728
  O     18.43810673      7.03981879    -14.22596588
  H     18.20010185      5.22245281    -11.51580134
  H     18.51528270     10.80344012     -7.87558900
  O     17.06370164     10.50338529     -6.63935199
  H     13.23300240      6.38300110    -10.74208841
  H     19.61544625     10.28353711     -8.83832824
  O     15.81210409      7.28245543    -14.93088768
  H     12.27170437      7.56593028    -10.95583992
  H     18.01117700      7.17061405     -7.90345269
  O     15.65095218      8.65809940    -10.01984292
  H     14.80970452     11.49094039     -8.78496125
  H     18.56609524      6.36130978     -9.09641421
  O     19.07777544     11.05404641     -8.61811673
  H     16.15463995     12.15295744     -9.18139142
  H     16.59872418      8.76887202     -7.03122909
  O     18.82826948      6.88376237     -8.32572046
  H     13.17245842      9.24855608    -12.29075816
  H     16.12150312      8.17074722     -8.37513393
  O     16.28827095      7.95117151     -7.44353547
  H     11.67745142      9.64340878    -12.27574178
  H     15.29459275      5.29685178    -12.40383997
  O     15.55947575      4.97947317    -13.27701433
  H     13.30522613      9.78354207     -8.60786410
  H     15.49720089      5.73888204    -13.87069173
          69
 Ord_Energy   -247.956375    
 O   -1.11058521       4.26377916       8.11293411    
 H  -0.429497600       4.26466894       8.78033161    
 H   -1.94849372       4.41043520       8.58330154    
 O   -3.64225769       4.81854105       9.02802372    
 H   -4.44800377       4.62164545       9.52548790    
 H   -3.82078123       5.61914825       8.51349735    
 O   -6.64261198       1.84847033       3.64985275    
 H   -5.76264143       1.74841142       4.03419018    
 H   -7.25650597       1.98909175       4.38029242    
 O   -3.28591228       9.24672222       5.99511671    
 H   -2.46766019       8.86686993       5.62398338    
 H   -3.06382871       10.1091309       6.33458710    
 O   -1.21070170       7.97374916       4.82831955    
 H   -1.36162794       7.95865822       3.87495613    
 H   -1.34890378       7.06926823       5.14319277    
 O   -5.91278696       5.95292377      0.505165815    
 H   -6.19336319       5.77401018     -0.389002413    
 H   -6.30548716       5.25882864       1.06403780    
 O   -8.60025692       7.51937819       4.42063904    
 H   -9.24360180       8.22243118       4.45411968    
 H   -8.03896332       7.69485426       3.64458990    
 O   -2.07051516       8.03696728       2.10920286    
 H   -2.38305998       7.17972469       1.76645505    
 H   -1.65782213       8.49092007       1.37982595    
 O   -4.45704317       8.36491203       3.56141663    
 H   -4.18767357       8.74464798       4.40603685    
 H   -3.66539526       8.33353901       3.00767994    
 O   -4.67618418       3.06762004       6.99373293    
 H   -5.60234022       3.29271913       7.14435244    
 H   -4.18340063       3.56438732       7.65516043    
 O   -8.71002388       2.63204408       5.55062437    
 H   -8.92856407       3.39833879       4.98945761    
 H   -9.48600960       2.07760096       5.56760502    
 O   -6.84608126       4.25259256       2.37851119    
 H   -6.32057381       4.78354549       2.99731922    
 H   -6.76796103       3.33396459       2.67419577    
 O   -9.14197540       4.75156832       3.91353536    
 H   -8.45698071       4.59087706       3.24963379    
 H   -9.08186150       5.68988705       4.12464952    
 O   -7.29239464       3.98859048       7.53897333    
 H   -7.83752012       3.46303511       6.94031668    
 H   -7.16782427       4.85221577       7.11824703    
 O   -4.00855541       1.76750803       4.75488663    
 H   -3.54138589      0.967416406       4.98009014    
 H   -4.21648979       2.21885991       5.59474182    
 O   -6.14980459       4.25482035       10.0631065    
 H   -6.65234995       4.13022327       9.24224377    
 H   -6.68023252       3.87213898       10.7570448    
 O   -5.19651461       5.67932940       4.06672144    
 H   -4.93219852       6.57959986       3.83649993    
 H   -4.42330456       5.11040306       3.96182775    
 O   -6.73011446       6.34455347       6.19367361    
 H   -6.18347979       5.98788023       5.47363043    
 H   -7.43003559       6.84266376       5.75672102    
 O   -6.92217016       7.99479580       2.31937790    
 H   -6.66129160       7.37697601       1.62722075    
 H   -6.09369612       8.29394245       2.72022676    
 O   -2.06572056       5.50189972       5.84103918    
 H   -2.85259962       5.90221214       6.23416376    
 H   -1.60463059       5.04305077       6.55757570    
 O   -2.96574855       4.11486101       3.62589717    
 H   -2.52462149       4.53328276       4.38085127    
 H   -3.25875735       3.24091268       3.91386223    
 O   -4.17759991       6.87111998       7.21715784    
 H   -5.10088539       6.75947571       6.95317936    
 H   -3.90662527       7.75099564       6.92841959    
 O   -3.12802625       5.70843744       1.29908502    
 H   -4.05131483       5.74072790       1.02307153    
 H   -3.05458403       5.04650402       2.00028706    
          69
 Energy    -247.95622446842026     
  O     14.93286581     11.31766836    -16.00423513
  H     15.62548367     11.05010958    -15.38902157
  H     14.39931714      4.61233387    -15.96384879
  O     13.33696063      5.71586941    -15.17133651
  H     15.24491309     11.06209481    -16.87991381
  H     19.51012007      6.27292541    -16.80425414
  O     17.99633754      8.22155171    -12.26748377
  H     13.55073476      6.04223154    -14.28773077
  H     18.85084502      5.70730731    -15.53986792
  O     18.81601366      6.46198315    -18.60609689
  H     12.86520724      6.42929196    -15.61643095
  H     18.47014659      8.20350089    -18.03601548
  O     16.22213031      5.64603369    -18.44220820
  H     18.85285384      8.10064704    -12.69870622
  H     17.56946701      8.52265774    -16.83488303
  O     15.92932824      8.81957976    -10.25545313
  H     17.53030701      8.87065320    -12.80944882
  H     15.64723060      7.70074186    -16.34516305
  O     14.18186708      6.73858324    -12.67627277
  H     19.21408290      6.07403895    -19.38038943
  H     16.64456594      6.86493206    -15.48078617
  O     16.73662843      9.97276197    -14.16974153
  H     17.90302255      6.12395221    -18.56293064
  H     13.47825983     10.51019494    -15.27514257
  O     17.21819398      5.16395652    -15.02335793
  H     15.61264637      6.39548095    -18.39342213
  H     13.22364362      9.82520451    -13.92048515
  O     14.17299313      6.48498919     -9.91622019
  H     15.86519689      4.99030638    -17.83222998
  H     15.58283121      5.30748880     -9.72693896
  O     19.22619556     10.24287018    -15.25886159
  H     16.73773015      8.56204014    -10.71463710
  H     16.79909749      4.73025862     -8.98213168
  O     15.06010524      4.02480016    -16.37455123
  H     15.47769415      8.00465714    -10.00860161
  H     12.37431830      8.67704024    -15.84674226
  O     19.63328917      6.18499160    -15.85338527
  H     15.08017217      6.37575705    -12.66566461
  H     11.25772923      8.06729612    -16.72906854
  O     18.09411553      8.93852745    -17.53630676
  H     14.26111929      7.70199098    -12.72469809
  H     21.20338259      7.81465252    -13.66844362
  O     16.35170456      7.76071488    -15.68738618
  H     17.61328652     10.25412627    -14.47130814
  H     20.08734780      7.30838447    -14.61073017
  O     12.85600550      9.93513058    -14.80464965
  H     16.51742000      9.17052670    -14.67406130
  H     17.24536315      6.58830159    -12.31770797
  O     16.39870339      4.79691632     -9.84570692
  H     17.05563846      5.21690938    -14.07020167
  H     16.75416225      5.32156644    -11.53816348
  O     12.17060598      7.96107218    -16.47704421
  H     16.51653431      4.64027896    -15.42827694
  H     16.06389896     10.80852501    -19.27984434
  O     20.28837738      7.94674595    -13.90285958
  H     13.32913830      6.65120157     -9.50348735
  H     16.74574349      9.88515296    -18.24255550
  O     16.76915454      5.74968208    -12.40438528
  H     14.02740160      6.52863701    -10.87589247
  H     15.23898437      9.82532786    -13.10403484
  O     15.89666590     10.28013369    -18.50350934
  H     19.01767315      9.90463360    -16.13926123
  H     14.89740445      9.42508312    -11.65576266
  O     14.51717804      9.51327865    -12.54109884
  H     19.70199338      9.53214945    -14.81021456
  H     14.86924075      8.72039119    -18.17205861
  O     14.58588037      7.84659140    -17.87537364
  H     14.66903530      3.15650142    -16.41352535
  H     13.70038424      7.92540443    -17.49759585
          69
 Energy    -247.95608737112480     
  O     11.39558175     10.97296723    -15.14607537
  H     11.82582999     11.52716254    -14.48154669
  H     19.00422186      8.73003199    -13.31560193
  O     15.67709565      6.50356048    -13.79563687
  H     10.86318356     10.33114635    -14.65841692
  H     15.03247139     12.63193778    -15.68535743
  O     16.28010304      9.57034706    -11.31243458
  H     14.91541052      6.58856139    -13.20556869
  H     15.97497780     12.48679021    -14.48154114
  O     17.41050968     11.32298383    -14.25515588
  H     16.42254338      6.16361014    -13.28758272
  H     15.69502825      8.35027281    -14.02251359
  O     13.23050940      7.09124668    -16.87539520
  H     15.90492487      9.50820895    -12.20160245
  H     14.84985827      9.48460456    -14.66394045
  O     14.02447811      9.48236416     -9.73200004
  H     15.54149732      9.66928373    -10.69511584
  H      9.32737383      8.65204576    -13.36345960
  O     13.44541463      7.01497130    -12.25719705
  H     18.02944518     11.15268948    -13.53776453
  H     10.67306453      8.15294060    -13.94321675
  O     17.59180022     10.79542774    -16.97334210
  H     16.76783761     10.59486947    -14.22848508
  H     17.24350245      6.47117486    -10.94370369
  O     14.14937310      6.59068354     -9.57260403
  H     14.18038156      6.88074981    -16.81622019
  H     16.65135325      7.86308433    -10.64368040
  O     18.23862812      8.20119756    -16.55498523
  H     12.91381648      6.70601179    -17.68794130
  H     12.21568631      6.85475223    -15.26593862
  O     15.85228585      6.61819790    -16.52398411
  H     13.37064797      9.61049221    -10.43369786
  H     12.30245893      6.71731247    -13.72363562
  O     18.99396210      7.89451161    -13.79623798
  H     13.98173159      8.54558402     -9.50527451
  H     17.94635308     10.02977438    -11.70173312
  O     15.11628404     12.84171724    -14.74770042
  H     13.58627743      6.75605311    -11.33811226
  H     19.39744126     10.45423553    -11.37530640
  O     15.53543292      9.30288739    -14.00857464
  H     13.23158252      7.95890645    -12.24519202
  H     18.45925310      6.50440379    -12.94373667
  O     10.21463437      8.92938573    -13.57308421
  H     17.68080747     11.10176962    -16.05919839
  H     18.60946529      4.99987476    -12.60584514
  O     16.72033161      6.96226793    -10.29931090
  H     16.73781045     11.12966903    -17.27158650
  H     14.38648034     12.03440582    -18.10794921
  O     11.68788146      6.84289683    -14.45920520
  H     14.04746289      5.98455449     -8.84458326
  H     14.47239712     10.98383380    -16.97741055
  O     18.81659657     10.22012015    -12.09416946
  H     15.10364212      6.64240611     -9.76681623
  H     11.64303772      9.45177906    -12.46962491
  O     18.04774655      5.75753317    -12.47033575
  H     17.99359333      9.12129769    -16.75554026
  H     12.77157514     10.51072501    -12.45643734
  O     14.93677099     11.73284583    -17.38978784
  H     18.94315645      7.97432299    -17.15774566
  H     13.78007767     12.44270723    -13.71317346
  O     12.49876834      9.66518369    -12.07702267
  H     16.64245435      7.15901292    -16.63342329
  H     12.84877435     12.97312291    -12.60347446
  O     13.01154667     12.21643272    -13.16115337
  H     15.79860836      6.43151971    -15.57416493
  H     13.45944758      8.84657423    -16.39783930
  O     13.65006822      9.72841273    -16.05669505
  H     18.73000397      8.07744215    -14.70606137
  H     12.81539443     10.13259236    -15.77532667
          69
 Energy    -247.95607115446973     
  O     14.82252436     10.78477573    -12.80297817
  H     15.76240198     10.77028596    -12.58536581
  H     10.24396059     12.16163238    -15.59352496
  O     17.46869291     12.04598852    -14.70614255
  H     14.56060698     11.71342876    -12.82845359
  H     14.79343269     13.49946769    -14.58088369
  O     15.20528885      7.24357149    -12.16966915
  H     17.55306977     11.41817199    -15.43320307
  H     14.29848340     13.82251314    -15.99514569
  O     11.53976758     12.50769980    -12.60700675
  H     16.76641320     12.65161019    -14.97194381
  H     18.14900484     10.00935267    -17.45753940
  O     12.63546465     14.11589880    -16.68128051
  H     15.00244038      6.95572652    -13.06941440
  H     17.40667278      9.32567417    -16.28510552
  O     14.81989544     11.14207909    -17.03175768
  H     14.43777428      7.74845794    -11.87594254
  H     15.35155880     13.45907467    -10.12022967
  O     13.91023557     10.25362717     -9.22053809
  H     11.52370293     11.59415670    -12.92309594
  H     15.16435025     14.97814355     -9.88087098
  O     14.12678283     13.46410409    -12.92215709
  H     11.71396380     12.50120123    -11.65400048
  H     17.60028476      8.04382429    -14.28603708
  O     13.95068419      9.44631814    -15.01876827
  H     12.42990112     13.35353933    -17.23528104
  H     16.50528963      7.47233574    -15.20314737
  O     17.76357171      8.14734359    -12.39059823
  H     11.93294599     14.14783004    -16.01993602
  H     16.72495984     11.61401225    -10.59004056
  O     12.43209120     12.59664923    -10.01063157
  H     15.70455619     10.76509147    -17.11629756
  H     15.52213671     11.29089265     -9.65615993
  O     10.31582557     11.24753823    -15.89490109
  H     14.91037857     11.94536008    -16.49473079
  H     10.90829475     10.29022160    -14.46269516
  O     15.04675831     13.43924497    -15.51308484
  H     13.79987824      9.70861315     -8.44495659
  H     12.30112303      9.71140280    -14.21542117
  O     17.41895266     10.11622176    -16.85343293
  H     13.56289906      9.74326214     -9.97027244
  H     14.14224100      6.28247104    -15.43631294
  O     14.77889019     14.22335045    -10.31618858
  H     13.18844990     13.23610371    -12.86002756
  H     14.38029742      7.75321063    -15.01290568
  O     17.33296347      7.96862155    -15.20990918
  H     14.39132981     13.84226499    -12.07416092
  H     13.18855347     11.36290409    -17.74985088
  O     16.18289995     11.96080896     -9.86893404
  H     14.35751660      9.89166929    -14.25979580
  H     12.20287853     11.41591675    -18.93669262
  O     11.47693765      9.93645486    -13.76235591
  H     14.17316118      9.98067352    -15.79042787
  H     17.61312645     11.36487691    -13.03759239
  O     14.72749840      6.84631546    -14.93795353
  H     18.34993082      7.57568377    -11.90127377
  H     17.73067776     10.00887447    -12.25273750
  O     12.27251851     11.57021428    -17.99752373
  H     16.85899857      7.82447761    -12.22908049
  H     10.82958644     13.46307225    -13.93127756
  O     17.49165059     10.94109629    -12.17281591
  H     12.84403723     11.80360977     -9.64811526
  H      9.83436583     14.49924885    -14.49644526
  O     10.51411010     13.87993814    -14.75057534
  H     13.12997896     13.26389368    -10.01247290
  H     13.75140086      9.71133698    -11.94866118
  O     13.10624522      9.08826976    -11.56974957
  H     10.92914400     11.27054306    -16.63966685
  H     12.32510834      9.17570059    -12.12641433
          69
 Energy    -247.95605063366753     
  O     -2.69051160     -0.26504554     -0.90991374
  H     -1.72402608     -0.31783493     -0.90921290
  H     -3.52453205     -0.82183838      2.18469977
  O     -0.47243660      4.80471071      2.50116411
  H     -2.99455592     -0.98697967     -0.34722870
  H      0.58081079     -0.09811680      3.01917165
  O      3.90742756     -1.03849318      0.28172914
  H      0.36346924      5.17093358      2.18962476
  H      0.74269684     -1.34621719      3.92794076
  O     -0.78546844      0.69965453      1.99887087
  H     -0.78164238      4.23822982      1.77674340
  H     -1.08503158     -1.86456335      4.97547270
  O     -3.40333264     -2.24427835      0.99645653
  H      3.97481866     -0.65272346      1.17537758
  H     -0.31849710     -3.12427177      5.45195442
  O     -2.66281200      3.63737544      3.89868059
  H      4.78846013     -1.29679086      0.02617837
  H      2.66963727      3.56970671      1.86209000
  O      1.46130804     -2.28750899      1.02562263
  H     -0.59263708      0.23294741      1.17306325
  H      2.07880110      2.60437753      2.90445021
  O     -4.48874202      2.34272418      1.99788375
  H     -1.64352767      0.39312909      2.31806164
  H     -1.90907993      2.63647272      5.13314171
  O      1.12826215      3.74681889     -0.87778741
  H     -3.99166501     -2.98466157      0.87539110
  H     -1.43151042      2.56687066      6.59979288
  O      0.03623508     -0.39480345     -0.44371534
  H     -2.56065195     -2.60859953      1.32441298
  H      2.98871704     -0.20329453      3.09654677
  O     -3.64133178      2.21901827     -0.63662762
  H     -2.00744353      4.18737395      3.44943159
  H      3.64370954      1.08415639      2.58665026
  O     -3.36307963     -0.11097107      2.81836729
  H     -3.23291459      3.26508730      3.21796487
  H      0.36551426      3.55181802      3.66391672
  O      1.22376232     -0.74005684      3.35152254
  H      2.32866585     -2.07165211      0.66270544
  H      0.20691888      2.45924907      4.73053587
  O     -0.45167410     -2.55332032      4.70071699
  H      1.40114366     -1.78556060      1.85346954
  H     -1.85736612      0.31867926      5.52603725
  O      2.69113408      2.65185198      2.15234891
  H     -5.38614485      2.66305761      2.05962884
  H     -2.69291247     -0.44403713      4.48055144
  O     -1.40683467      2.09728359      5.76933611
  H     -4.25320343      2.34786009      1.05674317
  H      2.89295024      0.51380552     -0.23506026
  O      3.80866647      0.14030147      2.71403746
  H      0.26810556      3.52024210     -0.49686168
  H      2.36163088      1.69605700      0.60837098
  O      0.84848013      2.86087497      4.13671777
  H      1.61837110      2.91442434     -0.89485856
  H     -2.00755123      2.82869721      0.07427836
  O     -2.15018921     -0.56574852      5.27185354
  H      0.45368022     -1.17891826     -0.06291418
  H     -1.00175706      2.25214366      1.10851495
  O      2.27217125      1.25143124     -0.24854014
  H      0.73689163      0.27001377     -0.50058530
  H     -0.90479454     -3.03796491      2.92751651
  O     -1.18717677      3.01606937      0.54138841
  H     -3.32822620      1.30468309     -0.77141229
  H     -0.20508863     -3.06428247      1.55513902
  O     -1.06374004     -3.16560113      1.98335102
  H     -3.93059532      2.54153897     -1.48564751
  H      2.56366743      6.02875504      0.90025985
  O      2.04458096      5.28064494      1.18255622
  H     -3.86095507      0.66918284      2.54621475
  H      1.75090946      4.82262448      0.37444685
          69
 Energy    -247.95588851053822     
  O     11.46927961     10.33013494    -11.49316863
  H     12.21883303     10.91285042    -11.32245454
  H     18.31591457      8.60973145    -15.44741335
  O     15.01571176      6.36543535    -14.31332459
  H     11.58041733      9.53591927    -10.95535439
  H     14.84084756     12.07641670    -14.47980205
  O     17.84241572      8.63266960    -11.61954888
  H     15.83349446      6.03845728    -14.70372174
  H     13.33758321     12.14668296    -14.77670356
  O     16.16821177     10.85151232    -15.08527276
  H     14.97117658      6.02565124    -13.40723820
  H     13.75058414      9.16598375    -13.79388053
  O     12.40207159      6.90712409    -15.20552228
  H     17.03853314      9.12680666    -11.40490891
  H     14.88947657      8.10254611    -13.94144551
  O     17.11265013      6.96702363     -9.35752014
  H     18.20930618      9.07448325    -12.39548371
  H     11.69553910      7.17149410    -11.06230959
  O     14.70207764      5.54231219    -11.68700686
  H     15.63577191     10.21294532    -14.58113812
  H     10.93656340      7.43615866     -9.74294694
  O     15.38121564      9.89289800    -11.23437312
  H     16.12150578     10.55356066    -16.00190109
  H     17.91651737      5.39840355    -11.92492180
  O     13.22002350      9.01798949    -17.09366708
  H     12.18044498      7.73636126    -14.75227496
  H     18.08769920      6.89228043    -12.27774267
  O     17.06030878      4.50862407    -10.49570272
  H     13.30944217      6.67171286    -14.96238282
  H     11.96067643      6.19724750    -13.34137040
  O     16.02225928      9.39640875    -17.50949603
  H     17.53310595      7.56670508     -9.98613708
  H     12.86058315      5.67853052    -12.19844243
  O     18.00197094      8.09840567    -16.20174033
  H     16.17907963      7.22002349     -9.33639247
  H     17.75405487     10.37294199    -14.37020264
  O     14.00680922     12.42289891    -14.13845469
  H     14.62213264      6.30160696    -11.09133356
  H     19.26595872     10.58719427    -14.13481453
  O     14.70192666      9.01908251    -13.70109691
  H     15.42707622      5.01138115    -11.33858665
  H     17.90138075      4.68486413    -15.45092440
  O     11.66040279      7.74982918    -10.27940893
  H     15.14643094      9.54470549    -12.11055342
  H     17.86676361      5.66368830    -14.24677843
  O     18.22094116      5.99758259    -12.61665300
  H     14.91620682     10.73339963    -11.15399835
  H     11.50770007     11.64362622    -16.59549910
  O     11.99021607      6.05212115    -12.39018740
  H     14.17631721      9.01448566    -17.22329579
  H     12.55689310     10.51160751    -16.48365186
  O     18.56361278      9.94729476    -14.04138922
  H     12.98283862      8.20289137    -16.63692747
  H     13.47165159      7.71481363     -9.86650062
  O     17.56532430      5.52951216    -15.16520479
  H     17.33827429      3.80393150     -9.91766924
  H     14.73030000      8.51072594    -10.29780965
  O     12.17734393     11.28137983    -16.02150874
  H     17.12288058      5.33578766     -9.98301767
  H     13.79940857     12.27337035    -12.39973280
  O     14.43584519      7.68336018     -9.88901949
  H     16.72564872      8.86781084    -17.09210940
  H     13.67331663     13.00230272    -11.04316095
  O     13.72426829     12.13594315    -11.43839442
  H     16.30450999      9.56631722    -18.40472396
  H     11.88254202     10.07305989    -14.63267892
  O     11.96680111      9.36428055    -13.98391173
  H     17.90629951      7.18701308    -15.89761499
  H     11.68264771      9.71043097    -13.12593647
          69
 Ord_Energy   -247.955734    
 O  -0.552176356      -2.87619352       1.27345848    
 H   0.122552261      -3.53014255       1.43129849    
 H  -0.526999712      -2.66473198      0.321518451    
 O   -4.42343712      -4.04420042      -1.06225836    
 H   -4.73561954      -4.91836977     -0.845960975    
 H   -4.04408121      -3.67021418     -0.244958654    
 O   -5.40726757      -1.48297405      -1.51573229    
 H   -4.51772738      -1.09433711      -1.49174654    
 H   -5.27365160      -2.43184686      -1.40319324    
 O   -6.45563316      0.278882980      0.298527896    
 H   -6.17208433     -0.399271667     -0.338434607    
 H   -7.36685705       9.05378312E-02  0.510266423    
 O   -3.48639631       4.62578487      -1.81001675    
 H   -4.16584301       4.05306768      -1.43336272    
 H   -2.63507032       4.29483652      -1.49591315    
 O   -3.94613791       4.56286812      -4.47008896    
 H   -3.75925708       4.66110468      -3.51794481    
 H   -4.54721212       5.26494312      -4.70580769    
 O   -1.07045043       3.25809598      -1.05781853    
 H  -0.894618511       2.89429188      -1.93869221    
 H  -0.435080916       2.84076524     -0.461593032    
 O  -0.999597311     -0.203805938       2.05128312    
 H  -0.770608306      -1.12682295       1.87881672    
 H   -1.94617903     -0.197282434       2.22302270    
 O  -0.568882704       2.11614442      -3.54796624    
 H  -0.658660591       2.84251428      -4.17905760    
 H   -1.24143362       1.46439111      -3.79482770    
 O   -3.96100211     -0.171842054       1.84326482    
 H   -4.89191151     -0.109714434       1.60599315    
 H   -3.55958724      0.576710701       1.37327302    
 O   -2.87608957     -0.438149661      -1.41512918    
 H   -2.82646155      0.312727839     -0.811322153    
 H   -2.13805795      -1.03242910      -1.23177004    
 O   -3.04245281       1.80250669      0.200404197    
 H   -2.33062840       2.34149575     -0.165542200    
 H   -3.86247516       2.09073138     -0.225884616    
 O   -2.58067465      0.302402079      -4.01934671    
 H   -2.64752197       1.75979193E-02  -3.09388971    
 H   -2.81620646     -0.461720794      -4.55715990    
 O   -2.39443207      -3.39946818      -3.02415085    
 H   -2.83288932      -2.99089360      -3.77956271    
 H   -3.09485698      -3.68381500      -2.42382407    
 O   -3.38093400      -2.88744783       1.14342999    
 H   -2.43102980      -2.98364091       1.28341079    
 H   -3.60024405      -1.97973168       1.38866496    
 O   0.685116053      0.147618026      -1.92123973    
 H   0.710662067      0.607974231      -1.07350218    
 H   0.402751237      0.805591345      -2.56869721    
 O   -3.70625257      -2.00258756      -5.17558479    
 H   -4.54558611      -1.60427701      -4.88450623    
 H   -3.84115338      -2.30910563      -6.06834030    
 O   -5.90001869     -0.719238460      -4.17648411    
 H   -5.73544788      0.231967062      -4.15961933    
 H   -5.86805487      -1.00805342      -3.25377035    
 O   -5.33469772       2.49765325      -1.13968515    
 H   -5.86360788       1.83365488     -0.681066394    
 H   -5.25150537       2.22342706      -2.06501484    
 O   -4.84303141       1.91446924      -3.84267998    
 H   -4.03162575       1.39288807      -3.93441463    
 H   -4.63573408       2.79069233      -4.18672752    
 O   -1.25644231       4.18239880      -5.25740147    
 H   -2.19432259       4.33188534      -5.06788731    
 H  -0.916586995       5.01390123      -5.57992315    
 O  -0.656323314      -2.15283465      -1.30851293    
 H  -0.121923313      -1.42434919      -1.65939176    
 H   -1.12151086      -2.61483765      -2.02145576    
 O   0.493326783       1.57316697      0.586945295    
 H    1.24914432       1.78577542       1.12916183    
 H   -6.63844123E-02  0.981402516       1.11871588    
          69
 Energy    -247.95561912233660     
  O     10.41115181     11.05254279    -10.49796926
  H     10.45399344     11.97992865    -10.21047152
  H     16.50624526      9.83090243     -9.27777732
  O     13.81533330      8.66680433    -16.88055059
  H     10.23718407     11.06339030    -11.44550215
  H     14.76573980      8.67583513    -12.45467965
  O     14.43450876      9.05009002    -14.17023402
  H     14.00974988      8.09000123    -17.61367614
  H     14.19819395      9.40260685    -11.19713616
  O     12.02805062     12.74705373     -7.15429000
  H     12.87087242      8.55164615    -16.67031460
  H     12.94371776     15.84303729    -11.25455464
  O     13.53880210     11.49834046    -16.46701964
  H     14.67502508      9.98840806    -14.14299809
  H     13.71251223     14.57711001    -10.80063333
  O     11.79387681      8.56376761    -13.27278438
  H     14.35718711      8.80641556    -15.09969463
  H     13.41765572      7.49790321    -11.08436932
  O     13.10618855      8.35186807     -8.30638214
  H     12.22050874     13.11699811     -6.29679432
  H     12.70217870      6.13593059    -10.92421294
  O     13.19325051     10.84849575    -10.78304611
  H     12.87808423     12.48107185     -7.54450098
  H     17.77728698     12.34169006    -11.97100608
  O     15.17199770     13.79923624    -10.27590055
  H     14.15612364     11.71108242    -15.75678258
  H     16.85909269     11.33762181    -11.24424474
  O     11.03453672     10.12818442     -7.91964515
  H     13.74328648     10.59326904    -16.73458604
  H     10.52696365     11.26966888    -14.26662228
  O     12.82810026     12.71288783    -12.84777104
  H     11.85792040      8.03814439    -12.46817199
  H     10.98566289     10.19339019    -13.25700798
  O     16.78236316      9.93399106    -10.19516384
  H     12.70115359      8.75157371    -13.55455495
  H     13.88840223     11.50423025     -9.25223526
  O     14.71823767      8.63498919    -11.48912979
  H     12.83478844      7.86010852     -9.08631784
  H     14.77720868     11.14919412     -8.04259205
  O     12.84998848     14.90471980    -11.11473051
  H     12.36436542      8.93956340     -8.09424758
  H     14.26153519     12.15975719    -13.66629722
  O     12.55785588      7.07960145    -10.90217964
  H     13.24240796     11.52108094    -11.47362410
  H     15.75328783     11.86866454    -13.38338593
  O     16.86232093     12.09559795    -11.85515347
  H     12.25245678     10.75914286    -10.57821782
  H     11.78638926     11.53900727    -16.23149700
  O     10.61192725     11.08551816    -13.32290845
  H     15.76496020     13.30053323    -10.84981431
  H     10.39845246     11.98705724    -16.74628634
  O     14.28253375     11.87278275     -8.44578172
  H     14.97435233     13.21651497     -9.53013758
  H     15.81140803      9.06830168     -6.87749083
  O     15.05599428     11.74235664    -14.03734951
  H     11.25629811     10.98226262     -7.53245153
  H     14.65378494      9.02906430     -7.90131802
  O     10.82757364     11.42562519    -16.10609220
  H     10.63948223     10.32779738     -8.77938011
  H     11.17884368     13.43787239     -8.69789479
  O     15.48274557      9.48731864     -7.66778931
  H     11.97885819     12.27262951    -12.98832150
  H     11.48342036     14.11667667    -10.05429011
  O     10.82253021     13.59704217     -9.58158306
  H     12.69289251     13.52357485    -12.34248854
  H     11.25562451      8.41240828    -15.10555277
  O     11.22681526      8.58509114    -16.05589708
  H     16.19617842      9.34314907    -10.68968483
  H     10.93447955      9.50113824    -16.14629460
          69
 Energy    -247.95548313977463     
  O     15.51146451      9.73023210    -14.79087537
  H     14.64341416      9.30883297    -14.77495467
  H     20.77513686      4.35328340    -16.56198604
  O     13.23719813      3.79435121    -16.26621865
  H     15.97176360      9.38263012    -15.56126530
  H     16.99926453      7.53453690    -16.10731299
  O     17.32117235      6.27534038    -12.75727934
  H     12.36426775      3.53683317    -16.55268624
  H     18.07476403      8.66180419    -16.10394903
  O     18.74408454      6.25699142    -18.08051182
  H     13.30431393      4.75742871    -16.39594061
  H     15.30950286      6.18339740    -15.65131556
  O     16.53617995      5.25540887    -19.54488547
  H     18.24143616      6.31321688    -13.06607137
  H     16.59292782      5.29992822    -15.53654868
  O     13.75920337      6.13421219    -10.00710113
  H     16.76583135      6.34621808    -13.54753514
  H     13.17133339      7.74808112    -13.91645385
  O     14.03153759      3.85221389    -13.54338741
  H     18.05978261      5.88402721    -18.65073036
  H     12.20466509      8.85429998    -14.41719536
  O     17.44071088      3.63893428    -15.69469394
  H     18.35478725      7.04226228    -17.67805994
  H     16.41241164      2.08230443     -9.74342530
  O     13.65180266      3.37517728    -10.78314089
  H     16.49723810      4.90048316    -20.42885459
  H     15.30992801      2.90978039    -10.45044269
  O     19.36181595      9.16024322    -14.86771826
  H     16.18811532      4.56775256    -18.94922157
  H     14.12973352      6.86576475    -17.26953066
  O     15.63966367      3.41748733    -17.77785885
  H     13.52650557      6.63350472     -9.22942962
  H     13.33932074      7.16023979    -15.94747945
  O     19.96750245      4.73140599    -16.22479620
  H     14.72897446      6.03882853    -10.00019028
  H     19.77376198      7.36525664    -14.32575553
  O     17.34789514      8.28459661    -16.61705248
  H     13.77120153      3.71018163    -14.46076621
  H     19.90099391      5.87320881    -14.71476867
  O     16.20276917      6.14856930    -15.28929515
  H     14.98201112      3.69281091    -13.47654166
  H     17.04563256      4.43071446    -12.86599510
  O     13.00329183      8.38332192    -14.63825868
  H     18.36087949      3.90097352    -15.82603695
  H     16.72249034      3.10545427    -12.13854048
  O     16.27330483      2.78751679    -10.36902453
  H     17.32120451      3.41077307    -14.76266412
  H     16.52765631      4.70989556    -10.12951888
  O     13.67425005      6.45645322    -16.51775010
  H     13.60631852      3.44510037    -11.74661741
  H     16.78165381      5.96181973    -11.00277487
  O     19.74530089      6.46783840    -13.97117794
  H     13.52371657      4.27154603    -10.44750375
  H     15.66556475      6.80815210    -18.92770097
  O     16.80754832      3.50485989    -13.01327881
  H     18.74503540      9.26146676    -14.11893465
  H     15.98282227      7.97760439    -17.97529656
  O     16.42367085      5.66871406    -10.15396047
  H     19.94928010      9.91053737    -14.84539145
  H     13.68142682      5.61753239    -13.08870705
  O     15.26257717      7.54538315    -18.44990216
  H     14.78893650      3.43288783    -17.32584886
  H     13.54644006      6.49760360    -11.82902229
  O     13.51476981      6.52137657    -12.79228851
  H     16.30856484      3.35316906    -17.08081800
  H     16.71124434      9.46003761    -13.46532913
  O     17.48090507      9.21320787    -12.92827387
  H     19.59077462      5.27985425    -16.93721157
  H     17.33519899      8.30584951    -12.64429978
          69
 Energy    -247.95540061092544     
  O     16.24192580      9.93026274    -15.56629197
  H     16.32413110     10.89120615    -15.55011376
  H     18.37576029      3.84456151    -15.29691771
  O     14.42179747      8.11783302     -9.68768171
  H     17.12156231      9.52855954    -15.61833454
  H     15.46844153      7.34598026    -11.03808456
  O     16.11219480     12.68537677    -15.00233136
  H     14.89711981      8.94747082     -9.50195015
  H     15.17269026      6.83056806    -12.47542085
  O     13.84261433      8.66208876    -15.49374406
  H     14.24096994      7.71228226     -8.84379711
  H     18.03306288      7.25454493    -16.60603351
  O     18.58237626      8.56044795    -15.36383307
  H     15.51427770     12.50451177    -14.25910119
  H     16.71976223      6.65599531    -17.17680910
  O     20.40311275     10.34497025    -14.26541426
  H     15.80571286     13.48842959    -15.41628502
  H     18.23799211     11.95363630    -10.89817389
  O     18.25739721      6.73283735    -13.28111037
  H     14.69285665      9.12790766    -15.54883870
  H     17.15507638     13.04079190    -10.86993367
  O     12.57406746      8.33717823    -11.85430691
  H     13.24329682      9.24106379    -15.00991237
  H     14.37545903      7.41998231    -16.72551640
  O     12.29451270     10.28111291    -13.69503211
  H     18.45486560      7.94565474    -14.62554690
  H     14.29660417      6.71005560    -18.09167277
  O     14.50671849     11.82067986    -12.88554825
  H     19.28709803      9.16577084    -15.09988389
  H     16.06557790      8.82429042    -12.46274742
  O     15.22986070     12.93355873    -10.44735574
  H     21.25598071     10.70660422    -14.49054872
  H     16.35382431      9.71367552    -13.70956199
  O     17.81432732      4.57859400    -15.06138024
  H     19.81776044     11.10229930    -14.08264303
  H     18.54750205     12.64430334    -12.87561806
  O     15.88043709      7.12258553    -11.88188618
  H     17.47702324      6.81064871    -12.71490387
  H     17.89543619     12.57126864    -14.26775806
  O     17.65060496      6.46421169    -17.01033116
  H     18.16229378      5.91075103    -13.77777871
  H     18.90830619      9.56708266    -11.01261424
  O     18.05556046     12.86748121    -11.16274736
  H     13.12339331      8.32894748    -11.06138807
  H     17.53278274     10.06040324    -11.49542804
  O     14.79019467      6.73679697    -17.27488227
  H     12.85902492      7.57847012    -12.38250596
  H     13.83137877      7.26929150    -14.26170467
  O     16.23525736      9.73020219    -12.75276560
  H     12.35761199      9.61731995    -12.98265912
  H     14.12548274      5.76061736    -14.09243169
  O     18.71659153     12.39915929    -13.79801267
  H     11.36818710     10.48300831    -13.79783020
  H     19.56290056      7.83100778    -12.38318854
  O     18.15460386     10.11349649    -10.75461897
  H     13.67521696     11.41973454    -13.16593221
  H     20.27367816      9.15224927    -12.73940569
  O     13.81952206      6.54753222    -13.61870470
  H     15.11834496     11.08218856    -12.72426146
  H     16.72042767     10.23570667     -9.60886491
  O     20.06480811      8.56352445    -12.00359851
  H     14.88698244     12.62932072    -11.30270464
  H     15.57555575     11.26340474     -9.53212742
  O     15.82808063     10.37465367     -9.25921351
  H     14.67502853     13.65850373    -10.16985703
  H     14.88552568      5.23190564    -16.03059359
  O     14.94676413      4.66679377    -15.25030700
  H     17.81485126      5.18970000    -15.82056287
  H     15.88978397      4.51996613    -15.10747520
          69
 Energy    -247.95539130233266     
  O     -1.12407038      3.80555620      2.90233078
  H     -0.70453486      2.95845388      3.09565466
  H     -0.33652512      8.41038308      1.10770492
  O     -2.96415249      6.13771675     -0.09223430
  H     -1.91136417      3.64683485      2.36295813
  H      1.26750691      1.77854622      0.09604222
  O      4.66858519      6.22536937      0.90948595
  H     -2.16052194      6.10656045     -0.63404731
  H     -0.18384115      1.28576949      0.11398328
  O      2.26463859      6.94583393      2.15610114
  H     -2.76791270      6.76539652      0.61433349
  H     -0.89960767      3.50344850     -3.29653407
  O     -0.51689504      5.95886166     -1.30404310
  H      5.54621025      6.56958911      0.76980492
  H     -0.36440999      4.41871497     -2.18069946
  O      1.92917123      3.42994897     -0.81277613
  H      4.23689192      6.18356842      0.03608551
  H      1.03542935      8.31839307     -0.86434209
  O      0.58290066      5.00067654      1.00845154
  H      2.22679662      6.69596919      3.08858324
  H      1.33883361      8.79295619     -2.30922467
  O     -1.98241988      7.85784379      1.95298600
  H      3.15102531      6.75167056      1.82593512
  H      2.92862110      3.46647750      2.95000308
  O     -1.70157465      1.99331309     -0.73395783
  H     -0.15710887      5.68570927     -0.44444878
  H      1.74755230      2.77169490      3.66247666
  O     -0.85761402      6.35576324      3.92011852
  H      0.01952092      6.70064608     -1.60713943
  H     -4.38170775      3.81512218     -1.86839256
  O     -3.15161966      3.63546226      1.06574502
  H      1.47323419      3.93697001     -0.11931464
  H     -3.88582064      5.25139883     -1.59802873
  O      0.53852136      8.61210963      0.75780185
  H      1.30165861      3.33759777     -1.54293167
  H     -3.02531141      4.11505677     -3.63447959
  O      0.66719112      1.18705286      0.56159045
  H      0.03875764      4.59351651      1.69284335
  H     -2.75202872      3.93429880     -5.13699977
  O     -0.27059210      3.53171946     -2.56142393
  H      1.16188273      5.64679849      1.43267790
  H      0.35180690      0.63009060      3.66514273
  O      1.28832671      8.01773590     -1.75732032
  H     -1.58158958      7.33831013      2.67267767
  H      0.53691999      1.31399098      2.28951357
  O      2.37686195      3.49552550      3.74523839
  H     -2.48391789      8.55329412      2.37228799
  H      2.04903160      5.03843882      4.41712887
  O     -4.11931923      4.63649960     -2.30259267
  H     -1.23148388      2.49367647     -1.41669059
  H      2.28474495      6.03920627      5.57454031
  O     -2.39508360      3.74322133     -4.27400426
  H     -1.99332516      2.62839407     -0.06540988
  H      4.24989234      4.39213390      1.26682466
  O      0.39535752      1.48132914      3.23850989
  H     -1.04771410      5.43579797      3.68462859
  H      3.37286776      3.35079426      0.55598122
  O      1.87728981      5.95079496      4.71776402
  H      0.03153010      6.33975760      4.29046995
  H     -4.96279735      1.32011252     -1.13171201
  O      3.84342897      3.52367034      1.37850089
  H     -3.84687378      3.15203353      0.60694397
  H     -3.52671175      1.88224209     -1.04599955
  O     -4.46612907      2.11588423     -0.96004106
  H     -3.13449372      4.53058496      0.69336247
  H      2.81380277      5.12460101     -1.37391457
  O      3.26141375      5.97801468     -1.37742521
  H      1.16950141      8.13883203      1.31941988
  H      2.59805924      6.65115054     -1.57400065
          69
 Energy    -247.95530204702845     
  O     16.25190702     11.71061526    -12.16566534
  H     16.79575538     11.26602092    -11.50530208
  H     19.37905852      8.71777535    -12.72835331
  O     13.51874270      7.05804537    -14.50255475
  H     16.56107134     11.40394349    -13.02927113
  H     15.04389686      7.89642700    -13.95750657
  O     15.86637418      5.61164030    -10.99338336
  H     13.73356740      6.21788063    -14.07760366
  H     16.12975311      9.03466886    -13.90519244
  O     17.99160658      6.53785739    -14.21393317
  H     12.79928602      7.47446887    -14.01263316
  H     13.28884378     12.67075528    -11.78858201
  O     14.95413465     10.23876296    -16.46480573
  H     15.78803580      6.56919734    -10.87226339
  H     14.54364292     11.78990945    -12.00379262
  O     11.86277416      7.15250930     -9.45332592
  H     15.11951612      5.22442486    -10.51341472
  H     13.04103619      4.07037759    -12.72829680
  O     11.63722343      8.45012657    -13.06402888
  H     18.27040043      6.12564591    -13.38717353
  H     11.96976202      2.97030524    -12.56270326
  O     15.65035834      8.35720913    -10.84703916
  H     17.19523499      7.05320164    -14.00334177
  H     12.46318056      9.80059405    -14.19117745
  O     10.62770573      6.18998711    -11.87393391
  H     14.25526071     10.30940191    -15.78940772
  H     13.26449935     11.00425758    -13.68919364
  O     14.91410401      7.31215140    -16.86576112
  H     14.65060428     10.73998392    -17.21770340
  H     19.03356341      5.04848974    -11.16872150
  O     16.07929780      5.05012063    -15.64461305
  H     12.24763825      7.95329366     -9.84459232
  H     17.60802810      5.62467554    -11.31910863
  O     19.29838364      8.54908471    -11.78293249
  H     11.42272830      7.42684049     -8.65206850
  H     15.09538923      5.02321386    -12.64201715
  O     15.86805798      8.18085928    -13.54006600
  H     11.12378675      7.68419255    -12.76647565
  H     15.10197030      4.70899895    -14.18284936
  O     13.57023243     11.77528839    -11.95609990
  H     12.11661532      8.76078254    -12.28446417
  H     12.97597218      5.59518034     -9.64134993
  O     12.22752981      3.83409356    -12.25087415
  H     15.73574544      8.33674274    -11.81500668
  H     13.00058497      4.37212459    -10.57460504
  O     13.09144714     10.47498302    -14.47664080
  H     16.32616287      8.96099823    -10.51818181
  H     18.89841948      7.99455311    -14.66388289
  O     18.53591476      5.74904722    -11.58275323
  H     10.92571102      6.44891110    -10.99285556
  H     20.05199265      8.82712235    -15.27092959
  O     14.55512461      4.71901494    -13.38191951
  H     11.08134359      5.36061208    -12.06777611
  H     13.96365792      8.93199155    -10.73532872
  O     13.49722436      4.81775531     -9.87685836
  H     14.26501496      7.18716431    -16.15630086
  H     13.14090731     10.19931193    -11.05685774
  O     19.29432372      8.88276030    -14.69394281
  H     15.05586373      8.26314206    -16.88636069
  H     18.35555034      9.61993483    -10.80385261
  O     13.06174654      9.28602927    -10.75375501
  H     15.71716986      5.74630494    -16.21169276
  H     18.20134423     10.45325460     -9.50842335
  O     17.73149312     10.15687629    -10.28305565
  H     16.89254195      5.42168921    -15.28142113
  H     16.41322183     10.48871269    -15.37039430
  O     16.97972664     10.52841122    -14.58680745
  H     19.08969379      7.61201885    -11.68443352
  H     17.80745605     10.06574135    -14.76727702
          69
 Energy    -247.95524719775608     
  O     -2.28596515     -1.62840641     -2.30072381
  H     -2.43398282     -0.68541108     -2.43225162
  H     -1.78431853     -1.59560709     -5.91006770
  O      0.33755015      1.97806525     -2.93836373
  H     -1.36673478     -1.79257284     -2.57276921
  H      0.56548773     -3.45085826     -1.68137110
  O     -1.68406652      0.05961195     -5.39652542
  H      0.51157782      1.98383376     -3.88692553
  H      0.39988425     -4.86005686     -1.01970267
  O     -0.57862078     -6.48171185     -1.17233568
  H      0.88075212      1.26626233     -2.56778162
  H      0.07837212     -2.72202872     -5.88555967
  O     -1.45906090     -0.23710319      1.13366193
  H     -2.06933632      0.42245101     -4.59033314
  H      1.33884091     -3.54309655     -5.43482036
  O      4.01786647     -1.30524348     -2.85068900
  H     -0.86948680      0.55364320     -5.55126282
  H      0.80737186     -1.38710123     -2.53304507
  O     -1.67007975     -2.84653617      0.09143073
  H     -1.46645474     -6.08257918     -1.12122458
  H      0.56841126     -2.25597833     -3.81530412
  O      1.23874769      0.75508721      0.83706949
  H     -0.59068476     -7.25703464     -0.61870137
  H     -2.63739727      1.40128561     -1.92574415
  O      2.61555854     -0.44358822     -5.25196233
  H     -1.55033799     -1.17537343      0.92486466
  H     -1.40488138      1.41784936     -2.84737286
  O      1.76442767     -0.08504769     -1.77367375
  H     -0.51579978     -0.03971204      1.10758855
  H      2.30794690     -5.89025395     -5.26641721
  O      0.78587983      1.50370445     -5.66033611
  H      3.74859589     -2.23370264     -2.73073452
  H      1.08231078     -5.38672734     -4.46216561
  O     -1.76175249     -2.52642895     -6.20000147
  H      4.96460903     -1.27890826     -2.74185128
  H     -2.67062026     -3.08366457     -3.28365043
  O      0.79343401     -3.98557902     -0.90417000
  H     -0.78674383     -3.19819527     -0.07823198
  H     -2.47485625     -3.53496331     -4.72878455
  O      0.99074159     -2.65290916     -5.57726914
  H     -1.93869345     -2.36146616     -0.70622532
  H     -1.22340254     -5.08249184     -3.87185316
  O      0.29163156     -2.11731987     -2.90309297
  H      0.80441502      1.55990078      0.49878918
  H     -0.48794877     -6.11061612     -2.98657186
  O     -2.32068445      1.10790061     -2.78962861
  H      1.74438822      1.01461108      1.60271888
  H     -3.01571069     -4.77052577     -2.10286825
  O      1.96767246     -5.13866981     -4.78903112
  H      3.16092876     -0.67978416     -4.49465953
  H     -2.65867925     -4.33609538     -0.65924819
  O     -2.66323719     -3.87379739     -3.84510417
  H      2.10672159     -1.23753617     -5.47437313
  H     -2.37799552      1.02909776      0.36565830
  O     -0.47449971     -5.69153289     -3.85623931
  H      2.64434153     -0.41098537     -2.00243698
  H     -3.52749149      2.06233519      0.43196190
  O     -2.89859179     -5.09843075     -1.20305383
  H      1.71486724      0.08131152     -0.82368739
  H      2.83335789     -4.33359982     -3.27813071
  O     -2.78338331      1.78589143     -0.09581779
  H      1.05636752      2.04878226     -6.39420875
  H      2.49314400     -3.96751936     -1.81963216
  O      3.16445816     -3.85992609     -2.50531459
  H      1.48641894      0.83938505     -5.52947192
  H     -1.05565216      2.64068724     -0.19071857
  O     -0.11416563      2.82757597     -0.29431760
  H     -2.18439455     -2.55552247     -7.05461155
  H      0.06730145      2.74745386     -1.24090239
          69
 Energy    -247.95524192163717     
  O     10.47987379     12.46958063    -11.64640973
  H     10.61283062     12.25542347    -12.57853242
  H      9.19637010      9.86875489     -9.63510568
  O     14.07810331      8.99424210    -17.66575960
  H     10.27910570     11.64902846    -11.18208551
  H     12.80461904     12.57634941    -13.76898066
  O     11.83927880      8.87262110    -11.78245320
  H     14.37150016      9.91498510    -17.66911645
  H     13.65580270     12.07213234    -12.59598938
  O     14.58817739      8.71963386    -14.99613050
  H     13.11282097      9.02442471    -17.67934550
  H     16.28182683      9.04832189    -12.32041396
  O     13.30808400     12.37134389     -8.95005230
  H     11.09160614      9.13617625    -11.23306327
  H     16.62821229     10.12712551    -11.24359093
  O     14.86403341     11.71190164    -17.16590411
  H     12.51417394      9.55920864    -11.65476646
  H     15.29145380      7.72088583    -13.71652600
  O     11.85979268      9.07822135    -14.50295785
  H     14.94719086      9.60015693    -14.81952413
  H     16.29183601      6.63449692    -13.26020166
  O     14.56585620      8.64993913     -8.46973511
  H     14.48643270      8.64758986    -15.95649989
  H     14.32611117     13.98979458    -12.16894506
  O     13.74431711     10.81665866    -11.33799368
  H     12.76150768     13.07633588     -9.32289182
  H     13.59649223     14.61241001    -10.98344935
  O     12.05786134     10.03066019     -8.26968672
  H     14.20838078     12.71437102     -8.89438927
  H     14.53964525      7.21222383    -11.47526538
  O     15.91085993     13.28331573     -9.35335090
  H     15.44897913     12.30237321    -17.63545670
  H     13.11936946      7.68537396    -11.09802343
  O     10.02300081     10.08026490    -10.06017721
  H     15.24573684     11.59429382    -16.28141920
  H     11.34363539     12.10228777    -15.25250584
  O     13.66145120     12.69305303    -13.34189412
  H     11.71682598      8.88378957    -13.56642869
  H     11.39681415     10.89502077    -14.30828675
  O     16.37841349      9.99639995    -12.17139946
  H     12.80453399      8.94138942    -14.65966850
  H     14.96622844     11.85790978    -14.19050841
  O     15.72352919      7.32968842    -12.93792151
  H     14.84876760      8.02272029     -7.80841988
  H     16.10872289     10.91259267    -13.75985644
  O     14.48046500     14.47440917    -11.34732298
  H     14.36704049      8.13413718     -9.27166082
  H     11.67773736     11.17370545    -17.19880240
  O     13.92767423      7.29970844    -10.73487695
  H     14.65818558     10.52765094    -11.45276842
  H     12.93784858     12.04298739    -17.05547215
  O     11.20332902     11.84159431    -14.33042605
  H     13.65617478     11.26078832    -10.48612876
  H     16.34285251     11.41190270     -9.37698066
  O     15.65533688     11.26912026    -14.53633166
  H     12.43074765     10.92081825     -8.35397610
  H     15.85525739      9.96036983     -9.06742101
  O     11.97784870     12.06162265    -16.96521870
  H     12.82653127      9.44903646     -8.27193432
  H     11.33107097     13.71298178    -10.81123355
  O     16.53510532     10.47702050     -9.51831587
  H     16.51340408     13.91345656     -8.96695583
  H     11.22203639     15.02512458    -10.00017074
  O     11.83612628     14.34867629    -10.27156246
  H     15.49565010     13.72671885    -10.11501916
  H     10.46632200      8.84492652    -17.45872924
  O     11.27030423      9.28391302    -17.19305584
  H     10.71082194     10.04270932     -9.37037113
  H     11.35843821      9.14878112    -16.23443120
          69
 Energy    -247.95521060133268     
  O     11.51530277     11.37021992    -11.71599749
  H     12.29500325     11.58934650    -12.24185400
  H     16.51176353      6.03965149    -16.50171985
  O     13.35399359      7.14429641    -14.95781743
  H     10.89284661     10.95398972    -12.32580186
  H     16.04639174     13.02775029    -15.58729578
  O     18.20535988      9.79710742    -12.25349218
  H     13.64189765      6.67481066    -15.74917847
  H     16.70594423     11.74099237    -15.06212497
  O     17.26926389      8.93323016    -16.28663965
  H     14.14647028      7.60399916    -14.63183268
  H     16.12590800      8.66672804    -14.85914031
  O     12.25214847      9.71313335    -14.98931537
  H     18.38897183      8.91398155    -11.91535163
  H     15.64128992      8.98422002    -13.38997829
  O     16.10173135      6.50871007     -9.97500573
  H     17.29148040      9.99119891    -11.99580434
  H     11.63314080     10.29076923    -10.35270469
  O     12.89574171      6.39868902    -12.33202997
  H     17.55838342      8.00836619    -16.23584292
  H     11.32664133      9.96196449     -8.87087110
  O     15.49285916     10.05587488    -11.90077544
  H     17.88737184      9.50357620    -15.81919141
  H     10.83582895      8.29406205    -10.85493221
  O     15.12158358      8.63938694    -18.02933676
  H     12.54326155      8.79303957    -15.04388581
  H     11.25979039      7.19001377    -11.84887521
  O     15.06432421      4.62609186    -11.90844963
  H     11.38670481      9.71392856    -14.56214748
  H     18.37138045     10.54371206    -13.79247327
  O     14.67671278      6.11377229    -17.22391290
  H     15.74436964      5.75206084    -10.45475757
  H     19.23330759     11.40161786    -14.74546865
  O     17.39459889      6.18646800    -16.13856551
  H     15.39580766      7.16929040     -9.98487871
  H     17.59506382      6.33193823    -12.69203385
  O     15.85123267     12.15812884    -15.24188545
  H     13.52394374      5.68764997    -12.15683682
  H     16.45365341      6.83232651    -13.60476526
  O     15.61715561      8.33893390    -14.10604406
  H     12.96511549      6.60136844    -13.27626165
  H     17.63744125      6.95950647    -10.69176205
  O     11.66828294      9.58827484     -9.67828922
  H     14.86305824     10.64302618    -12.34026821
  H     19.17775932      6.82568006    -10.69189276
  O     10.53853108      7.79245104    -11.62410869
  H     14.98319732      9.45452047    -11.34059533
  H     14.53237169     11.28431393    -16.48716159
  O     18.38957540     10.96344628    -14.67182242
  H     14.57044328      9.40728699    -17.82698448
  H     13.18440675     10.54339772    -16.39688461
  O     16.94166509      6.03726663    -13.33880503
  H     15.95205698      8.80347674    -17.56125173
  H     13.58844241      7.64072234    -11.16229440
  O     18.44113367      7.13036185    -11.21547168
  H     15.16349695      3.68300974    -12.01120857
  H     13.22202431      8.70025593    -10.08815427
  O     13.83639296     10.88799227    -17.02194211
  H     15.72842716      5.04295662    -12.48403009
  H     14.42803667     11.85882907    -14.03807349
  O     13.96307484      8.23823593    -10.49940099
  H     14.78818030      7.01482888    -17.58285590
  H     13.24917807     10.85520263    -13.98686582
  O     13.74330189     11.50186058    -13.45985668
  H     14.44167235      5.55605840    -17.96055194
  H      8.98916324      9.71017946    -13.63950136
  O      9.92067876      9.71460186    -13.43731811
  H     17.34411098      5.94100585    -15.20622812
  H     10.08170074      8.97348820    -12.82594398
          69
 Ord_Energy   -247.955185    
 O   -2.19621778       1.88457024       3.50717497    
 H   -2.82746649       2.41943002       3.00957870    
 H   -2.63118458       1.03971934       3.66804194    
 O   0.349315584      0.423346013      -2.68507600    
 H   0.485759765       1.33361089      -2.98784184    
 H   -3.32840011E-02  0.486896724      -1.79764402    
 O   -3.16885853     -0.359863698     -0.409164757    
 H   -3.84965348       3.16338390E-02  0.159687474    
 H   -2.34231162      0.135518551     -0.289681822    
 O   -1.49644876     -0.901421189      -4.19705772    
 H   -1.22320616     -0.988079190      -5.10627747    
 H  -0.784802020     -0.430694610      -3.72786760    
 O    2.05736375      0.630614877       2.30575585    
 H    1.55131662       1.31404495       2.75989342    
 H    1.45354509     -0.118286408       2.20644164    
 O   0.540484369       3.07000232      -3.19437242    
 H  -0.369591832       3.35424471      -3.03890991    
 H    1.07512307       3.38454008      -2.45427012    
 O   0.379335880       2.67789006       3.39580107    
 H   0.573291779       3.16823077       4.19001579    
 H  -0.536802888       2.35647130       3.48178673    
 O   0.648843765      -2.78326845     -0.626606464    
 H  -0.165175676      -2.62476540      -1.12498939    
 H    1.35947156      -2.32475352      -1.09159052    
 O   -1.92509770      -2.42430854      -1.86623752    
 H   -2.43855476      -1.75810874      -1.38874781    
 H   -1.83004630      -2.08625865      -2.76427436    
 O    2.50013089      -1.09522915      -1.95061052    
 H    3.12314248      -1.23946846      -2.65886545    
 H    1.78549743     -0.541267097      -2.30961609    
 O  -0.688983738      0.751415968     -0.131946057    
 H  -0.313617706      0.134978518      0.510879755    
 H  -0.483312696       1.64713657      0.162739888    
 O   -1.73528683      -4.29315996      0.264243484    
 H  -0.774922013      -4.23274136      0.237605184    
 H   -2.01058388      -3.87623739     -0.564538181    
 O   -4.09504461       3.33075881       1.93997598    
 H   -3.57361722       3.62787271       1.17226899    
 H   -4.61997223       4.07580566       2.21922445    
 O   -4.86654615      0.676703215       1.43190348    
 H   -4.64150286      0.259640902       2.27201843    
 H   -4.70687246       1.62172472       1.55867887    
 O   -2.53373909       4.09563637     -0.100395158    
 H   -2.51280165       3.95961785      -1.05384457    
 H   -1.63127291       3.92983580      0.208632633    
 O   -1.39703304E-02   3.33404064      0.710509121    
 H   0.792073131       3.52229500      0.213001400    
 H   0.217400804       3.20333076       1.63896739    
 O   -2.55941105      -2.12454271       1.77946162    
 H   -2.34870982      -2.98767114       1.39644611    
 H   -2.83289766      -1.56102610       1.04403853    
 O   -3.23910975      0.997408450      -2.94825768    
 H   -2.76520991      0.354252398      -3.48894334    
 H   -3.40133190      0.560784042      -2.10414195    
 O   0.141000286      -1.27106786       1.61712217    
 H  -0.743869126      -1.55562019       1.87164700    
 H   0.417289138      -1.85598528      0.895383596    
 O   -3.65840459     -0.567464650       3.73840904    
 H   -4.00976467      -1.05542076       4.47881126    
 H   -3.25775123      -1.22009957       3.13969946    
 O    3.04260302       1.17802334     -0.208836824    
 H    2.96502185      0.361135244     -0.709667563    
 H    2.77037692      0.977556765      0.700219691    
 O   -2.27006865       3.54579186      -2.87290168    
 H   -2.74610043       4.05457067      -3.52515554    
 H   -2.63027096       2.64259219      -2.91144943    
 O    2.21095943       3.62220931     -0.933327198    
 H    2.55420542       2.73694491     -0.707723975    
 H    2.95652294       4.21599054     -0.927439451    
          69
 Energy    -247.95515032360294     
  O     19.22918404      9.89464328    -15.02467285
  H     19.06827250     10.53305030    -14.32141130
  H     21.07445980      2.80325967    -13.06738376
  O     21.11258840      7.80803379    -10.86620245
  H     19.87827240      9.27745095    -14.65683796
  H     15.55722397      9.13583520    -14.09347497
  O     16.11196807      8.96230706    -10.09509332
  H     20.33789501      8.36165334    -10.66328977
  H     15.66726403      8.86303334    -15.60344143
  O     12.81355808      9.85275077    -13.53583209
  H     21.81454069      8.10596730    -10.29294528
  H     18.02449618      6.72008922    -14.05362257
  O     17.29599489      8.78185825    -16.58619300
  H     15.87816669      8.03349528    -10.23113079
  H     19.07981233      7.49356889    -13.24452129
  O     11.99567365      7.20582196    -12.83140443
  H     15.26940508      9.43993958    -10.14111057
  H     14.95789104      5.64364741    -14.12948577
  O     17.56166153      5.38757025    -11.17192657
  H     13.54358102      9.56710854    -14.10855586
  H     14.75075527      7.18348379    -14.12240860
  O     15.03544417      6.45491181    -10.83816788
  H     12.36953758     10.56188364    -13.99510737
  H     19.79057513      5.74472868    -15.44494930
  O     20.32100190      5.06578629    -10.97334608
  H     17.43676579      9.09936919    -17.47467634
  H     20.64538073      4.89241382    -14.48283727
  O     17.62123467      3.50101524    -13.23853949
  H     17.98342196      9.19767189    -16.03381564
  H     13.10143374      9.05369805    -10.39429545
  O     20.79005303      8.02968210    -13.67134409
  H     12.78082192      6.75426277    -13.17035597
  H     13.33864778      9.95180475    -11.61601778
  O     20.47014417      3.52813387    -13.20310274
  H     12.09700665      8.12598416    -13.10633320
  H     18.92993132     10.14166134    -11.10311009
  O     15.03636319      8.88187896    -14.87551029
  H     17.79813842      6.03667235    -11.85392352
  H     18.05775554      9.27214167    -10.17393023
  O     18.17219555      7.16436143    -13.20912102
  H     16.67907408      5.62945065    -10.86751033
  H     18.12063281     12.18570396    -12.47996934
  O     14.57076391      6.37233613    -13.62957033
  H     14.16197506      6.62094550    -10.46426406
  H     17.73670946     10.70801366    -12.72498084
  O     20.67006547      5.67189097    -15.05231950
  H     14.91836369      6.43056407    -11.79914441
  H     16.49970869      3.98071405    -14.43358009
  O     13.56195132      9.85222896    -10.68382587
  H     19.36379327      5.11750908    -10.84034813
  H     15.48219726      3.61765452    -15.54475799
  O     18.96913197      9.44020606    -10.44253502
  H     20.64754065      5.96943380    -10.89238077
  H     17.65337213      6.97351720    -16.17979619
  O     18.48893875     11.31923915    -12.63630873
  H     17.50898962      4.03545950    -12.44040800
  H     17.18695932      5.54253727    -15.73243023
  O     15.88422468      4.35430274    -15.09277661
  H     18.57420220      3.39173348    -13.33903710
  H     11.68256409      6.94005262     -9.62838376
  O     17.94525897      6.13646916    -15.79693416
  H     20.91335902      7.18937713    -14.14214435
  H     12.14905643      7.18865305    -11.08431315
  O     12.41197550      7.26411377    -10.14928009
  H     21.09718860      7.93184487    -12.76281896
  H     17.18746111      8.59716411    -12.94552284
  O     16.60427545      9.35166674    -12.76426194
  H     20.48557918      4.06081673    -12.38716358
  H     16.33468982      9.27445402    -11.84031764
          69
 Energy    -247.95505580620460     
  O     11.57952907     10.68123870    -14.64715832
  H     11.93754860      9.92599199    -15.13879460
  H     15.96256791     10.78281462    -16.77548916
  O     15.82232823      6.54021670    -13.64658699
  H     12.26689501     11.35480290    -14.68077227
  H     15.89475507      9.45074162    -14.98830936
  O     17.32628258     10.17943725    -11.30186077
  H     15.14846550      6.33770180    -12.98496084
  H     14.40046536      8.94711189    -14.90573763
  O     17.40870256     10.26377538    -15.76458114
  H     15.63968002      7.45566522    -13.91518514
  H     10.97321674      9.81488954    -13.26732361
  O     14.34204161      8.67172793     -8.67385260
  H     17.21904644     10.15392711    -10.34293532
  H      9.81961724      9.41075706    -12.31766827
  O     13.84466023      6.52014317    -11.68446016
  H     17.44842246      9.25966758    -11.58447536
  H     17.68300511      7.08358865    -10.30399978
  O     14.91885994     10.94227909    -12.51246853
  H     17.95974895      9.53380766    -16.07701790
  H     17.37671176      7.87471018     -9.01804385
  O     16.59335474      6.59096258    -16.37419651
  H     17.85989155     10.65307629    -15.00537603
  H     12.50158859      6.52993037    -13.03701580
  O     14.93827073      5.90200408     -9.16122805
  H     14.42754583      7.71147954     -8.71639039
  H     11.36078186      7.53143037    -13.28209227
  O     18.89539967      7.98673929    -16.45109447
  H     13.83874391      8.92614539     -9.45965460
  H     18.28962809     10.87991533    -12.64039488
  O     19.82430892      8.43904338    -13.79354680
  H     14.16354291      6.17240738    -10.84298056
  H     19.29233333     11.90270021    -13.21862750
  O     15.04779962     10.82433722    -17.09133635
  H     13.66117860      7.45836061    -11.53192843
  H     18.64133433      7.74588082    -12.62401872
  O     15.22017367      9.07546626    -14.40838480
  H     15.72384078     10.85208402    -11.98819387
  H     17.21667116      7.11191256    -12.60483211
  O     10.73242071      9.23112710    -12.52533760
  H     14.98137587     10.23549926    -13.17877923
  H     16.99940265     10.11880009     -7.74379370
  O     17.41809348      6.98176420     -9.37844575
  H     15.87906663      7.05472888    -16.82734644
  H     15.91594877      9.40236488     -8.58426231
  O     11.87432479      6.83239328    -13.70609797
  H     16.28745747      6.38725984    -15.48032560
  H     14.75021117      9.13505162    -17.62001907
  O     18.77827522     11.13056344    -13.44190099
  H     14.94895922      5.13208922     -8.59938714
  H     14.50486076      8.10307180    -18.74385865
  O     17.87560527      7.56290584    -12.06153737
  H     15.86020856      6.20823088     -9.23605758
  H     12.28012673      9.25829929    -11.53308742
  O     16.83710996      9.72093217     -8.59457515
  H     19.43162956      7.70038141    -17.18524112
  H     13.70093093      9.89013878    -11.58088391
  O     14.63492715      8.18566577    -17.80240818
  H     18.10840173      7.41233279    -16.43562865
  H     14.01063409     13.24931974    -14.69023800
  O     13.16487815      9.21355742    -11.14836457
  H     19.64526744      9.38277682    -13.70838186
  H     14.30032048     11.94445863    -13.92166189
  O     13.94129767     12.29910081    -14.75101983
  H     19.59632395      8.20921024    -14.70350724
  H     12.52777204      7.73097586    -15.11690357
  O     12.83086604      8.45827551    -15.68246172
  H     14.57115907     11.31744509    -16.41476403
  H     13.25066074      8.11466769    -16.47744731
          69
 Energy    -247.95501666231763     
  O     20.84657585     12.25123387    -18.49422053
  H     21.47074212     11.97598766    -19.16038531
  H     17.70132391     11.99689105    -18.69740009
  O     15.72518289     17.36860045    -15.13834716
  H     21.12560828     13.13650591    -18.19787165
  H     14.46621676      9.76018488    -12.63342676
  O     22.02043461     14.95204963    -14.80466862
  H     16.00546707     17.18277319    -16.05173729
  H     15.95447665     10.15767132    -12.80062275
  O     15.43427299     12.89974534    -13.87805332
  H     15.22422825     18.18003109    -15.17468625
  H     21.16432544     16.70006271    -14.96439020
  O     17.07969939     11.07027521    -17.20580019
  H     21.38909207     14.25424445    -14.56280880
  H     19.83436348     17.38887186    -14.60882788
  O     17.61935470     10.26220729    -12.27470477
  H     22.80649433     14.80157237    -14.28521462
  H     17.10742518     12.98889021    -13.11298977
  O     16.37471654      9.03929593    -15.50954174
  H     15.49498436     13.04978546    -14.83277177
  H     17.87427058     13.85759353    -12.09843225
  O     21.52606974     14.69303149    -17.61077667
  H     15.17246236     11.98397299    -13.72718886
  H     19.38805791      9.72311170    -15.08127594
  O     19.40002555     16.53706000    -17.45442501
  H     16.61632961     11.86563216    -16.90987181
  H     19.71278714      8.36132288    -14.43164032
  O     15.10520382     15.53209950    -12.99329159
  H     16.72086513     10.31690241    -16.71626107
  H     15.54560352     14.44896893    -19.90700349
  O     20.11152173     13.02602244    -14.34028984
  H     17.84699823     11.20089997    -12.24500005
  H     16.84020897     13.94456943    -19.23325239
  O     18.07734045     12.68682057    -19.26245504
  H     18.20363383      9.85646242    -12.92753838
  H     17.99562135     16.50837396    -12.99485294
  O     15.08016028     10.17837805    -13.23124090
  H     17.24462973      8.88332484    -15.12248203
  H     17.34611235     17.18063103    -14.24006075
  O     20.62799134     17.47936153    -15.15420321
  H     15.82003629      9.35918379    -14.78711093
  H     17.59218379     16.98823840    -17.71802459
  O     17.93744512     13.04666029    -12.61638598
  H     21.82402474     14.79981528    -16.69977216
  H     16.38905361     16.17660560    -18.22401621
  O     19.07684313      9.07294032    -14.43110643
  H     20.86367069     15.38205593    -17.75148225
  H     16.48211463     15.58564213    -11.93957923
  O     16.06986472     14.52839890    -19.11437417
  H     19.86408407     17.05311000    -16.77754291
  H     17.20834724     15.90702879    -10.60783468
  O     18.18375441     16.86998077    -13.86938148
  H     18.98631813     15.80665580    -16.96933105
  H     20.18810122     11.38368316    -17.00226954
  O     16.62858107     16.92750952    -17.66806536
  H     15.06751522     14.61437798    -13.29757857
  H     18.74052975     11.07739873    -16.56287618
  O     17.34943005     15.58090230    -11.49229738
  H     15.18839595     16.08429660    -13.77995151
  H     18.23100631     15.43710092    -15.01462123
  O     19.66114711     11.06571489    -16.25811013
  H     19.99855764     12.28629455    -14.95294280
  H     18.95214616     14.10043365    -15.29871163
  O     18.28542282     14.70471728    -15.64409077
  H     19.41135308     12.97919071    -13.67336192
  H     15.77616586     13.86678531    -17.36605558
  O     15.97288149     13.51899671    -16.48916230
  H     19.02772860     12.64043784    -19.11637120
  H     16.78430723     13.96905321    -16.20080678
          69
 Energy    -247.95493117951085     
  O     12.33791852     10.58815476    -13.24987146
  H     12.57809176      9.92040000    -13.90209338
  H     20.12342079      9.24538446    -14.27479948
  O     16.60435669      6.49016841    -13.34229780
  H     12.86907724     11.36735481    -13.45461300
  H     14.73687372     11.06807904    -16.62941766
  O     18.32310175     10.61077129    -11.55450938
  H     15.98977714      6.08083706    -12.71823946
  H     16.10952700     11.45030755    -16.03463788
  O     17.69232459     10.57295777    -15.61721459
  H     17.35929983      6.82058665    -12.83841136
  H     16.53538895      9.48512595    -14.64504416
  O     14.96056446      9.61974461     -9.96721020
  H     18.26308760     10.46668331    -10.59954743
  H     16.20217138      8.18042872    -13.82908344
  O     14.71031115      5.40257877    -11.58433043
  H     17.43962033     10.89168813    -11.83476695
  H     11.44544849      9.48063821    -10.40592121
  O     15.71491428     11.07523517    -12.23326746
  H     18.38727812     10.87491969    -15.01948943
  H     12.27867625      9.84413342    -11.65635324
  O     16.23570479      7.82808550    -17.54881379
  H     18.09628865      9.91556179    -16.19971032
  H     19.24380454      6.63842704     -9.10034668
  O     15.68714479      6.92939481     -9.62898141
  H     14.01001335      9.50731012    -10.09508241
  H     18.66972154      7.29889870    -10.37478009
  O     18.79494116      8.43040933    -17.02244247
  H     15.24354592     10.17015377    -10.71064685
  H     12.51114353      7.73398760    -11.90365432
  O     15.11843418      6.08817270    -15.71541872
  H     14.59230928      4.50046271    -11.30003590
  H     13.30996283      6.45717348    -12.25205845
  O     20.04632195      8.29393224    -14.42096116
  H     15.02683968      5.90969123    -10.81364068
  H     20.42429592     11.79896726    -13.68071767
  O     15.20018822     11.76026213    -16.14276444
  H     15.71293024     10.32157203    -12.84532617
  H     19.34081905     10.98206454    -12.93949106
  O     15.89581741      9.06917757    -14.05345890
  H     15.20340318     11.76940550    -12.66217206
  H     19.25776634      7.84381125    -12.88149662
  O     12.28561664      9.32706362    -10.83089400
  H     15.90028545      7.11360574    -16.98698524
  H     18.49083687      8.76233226    -11.90322377
  O     18.50558881      7.14471054     -9.42909523
  H     15.51256817      8.45892724    -17.62049205
  H     16.73073153      9.83808757     -9.10543140
  O     12.66144577      7.08230170    -12.59887579
  H     16.63757049      6.92139713     -9.46591204
  H     17.99155008      8.96382132     -8.94454091
  O     19.78617594     11.09990646    -13.79645900
  H     15.43206502      7.85658320     -9.73101948
  H     13.58317060      9.08248024    -16.50406460
  O     18.71029661      7.83815854    -12.08183577
  H     19.31565752      8.32325356    -17.81395464
  H     13.15432794      9.46667442    -17.93672371
  O     17.68897416      9.87895219     -8.99116917
  H     17.88872003      8.14991872    -17.24760340
  H     14.49851926     12.42181129    -14.70675437
  O     13.88205162      9.51543492    -17.32112088
  H     14.37214388      6.63803292    -15.45688305
  H     13.93837171     13.65215125    -13.95275992
  O     14.11918123     12.72096810    -13.86035907
  H     15.70937531      6.08094156    -14.94994135
  H     14.26248042      8.67211834    -14.59389762
  O     13.37222031      8.38876291    -14.86069050
  H     19.64498645      8.19583560    -15.29269285
  H     13.01429171      7.86863013    -14.12378702
          69
 Energy    -247.95489156715223     
  O     16.07729588      4.57277416    -16.02331854
  H     16.53730285      3.99016396    -16.62151405
  H     15.31606784      4.39845637    -14.34446618
  O     12.44635146      8.53578612    -13.25230342
  H     16.59720309      5.39434244    -15.97360303
  H     13.01156440      9.42515044    -10.29144673
  O     11.53622923      6.07654034     -9.80942597
  H     12.19248416      9.12567789    -13.97419967
  H     12.47476732      8.55671376    -11.45649242
  O     13.70230481      6.14826808    -16.50153605
  H     13.41603267      8.57514688    -13.22822241
  H     15.72166804      9.26427131    -13.11265958
  O     15.84522661     11.10301569    -16.71491068
  H     12.26858165      5.64307532     -9.35458021
  H     15.53445439      7.73427845    -13.08759821
  O     17.31974403      6.99623759    -15.84781141
  H     11.82074372      6.98665835     -9.96764612
  H     19.37139950      7.50803144    -13.05699213
  O     13.87675432     11.05773697    -10.07962142
  H     13.14828679      5.98890569    -15.72556995
  H     17.85887688      7.24526971    -12.87596230
  O     13.91842230      4.71863122     -8.92822500
  H     14.41776535      5.50285674    -16.45682068
  H     12.86632889     10.98436173    -15.30746883
  O     14.89815139      8.57290654    -16.18251542
  H     15.54685661     10.18170869    -16.64804809
  H     13.07691039      9.61333845    -15.95346045
  O     11.03088031      4.50382896    -11.96283308
  H     16.72517663     11.07255073    -17.08161430
  H     14.77303588     12.03920887    -15.67253306
  O     13.58244025      3.39018632    -11.26895190
  H     17.77522340      7.33102272    -15.06624811
  H     13.90712403     13.29546652    -15.42608942
  O     14.88891644      4.53115353    -13.48919529
  H     16.60330188      7.61362720    -16.03600382
  H     12.39205338      6.78149818    -13.72114435
  O     12.70448675      8.53775717    -10.51589445
  H     14.19346229     11.40307778    -10.93396958
  H     11.89401722      5.35718187    -13.36726192
  O     15.16479509      8.55031524    -13.44673477
  H     13.61783507     11.81321241     -9.55859210
  H     15.82840273     11.51475155    -12.49608885
  O     18.50890430      7.79907486    -13.34367991
  H     13.85595503      4.18286579     -9.73971821
  H     14.64719277     12.11415818    -13.30223069
  O     12.42451902     10.14442826    -15.48538393
  H     14.07449505      4.11388457     -8.20834372
  H     15.97387116      5.66289830    -12.62409611
  O     14.11398907     12.43260919    -15.07487714
  H     14.43893486      7.75227496    -16.41790186
  H     16.01458793      6.59601059    -11.37179216
  O     12.47960848      5.84746641    -13.95764067
  H     14.96457332      8.59717772    -15.21478697
  H     17.76991621      9.52302622    -12.76579023
  O     14.95372369     11.91658414    -12.40989801
  H     10.14568851      4.15224560    -11.92268797
  H     17.00370661      9.97904687    -11.48970076
  O     16.44946682      6.39820800    -12.21367686
  H     11.13277850      5.09883724    -11.19799328
  H     16.02241432      8.66852438     -9.77316544
  O     17.17016596     10.19446048    -12.42325496
  H     12.67894575      3.60546780    -11.53308860
  H     15.55336645     10.12993562     -9.79665005
  O     16.33835857      9.57450601     -9.88254374
  H     14.13914109      3.63489336    -12.01962676
  H     14.74290386      6.26727500     -9.50085826
  O     15.03000953      7.06692403     -9.95859696
  H     14.06441094      5.01240733    -13.65726390
  H     14.22807221      7.55996523    -10.18478874
          69
 Energy    -247.95487405548027     
  O     -2.87152895      3.87883047      4.81637906
  H     -3.39385201      4.49411938      5.32290212
  H     -1.35659741     -0.15449359      2.17210469
  O     -3.03216051      2.86154188      2.16483466
  H     -2.07591518      4.35957045      4.51875350
  H     -3.59976608     -1.74425446      0.83573159
  O      2.32107793     -2.16628270      0.62607619
  H     -3.17864793      3.25880260      3.03109780
  H     -3.35729245     -1.36073220      2.29850530
  O      0.66143027      0.96378316     -1.67032745
  H     -2.12833809      3.10336171      1.91207462
  H     -0.74000676      1.50201769      5.14509841
  O     -1.00763895     -1.14860725     -0.88220618
  H      1.99867804     -2.21855571      1.53714158
  H     -2.09524165      2.25546803      5.31197863
  O     -2.84319380      0.25972751      3.12688558
  H      1.72546454     -2.73037587      0.11951126
  H      0.97431056     -2.05701914      3.96591304
  O     -3.76607940     -0.75895998     -0.84641559
  H      0.10256170      0.18728721     -1.52999013
  H      0.20439302     -2.87744606      2.85227590
  O     -0.90999538      3.13080948     -1.32917220
  H      1.48046539      0.79717712     -1.18975386
  H      0.06307636     -4.15684467     -1.36447303
  O      2.96035539      0.37276050     -0.06039150
  H     -1.96128055     -1.07607787     -1.01080911
  H     -0.28247578     -2.76159666     -0.79525400
  O     -1.43579722     -1.08249115      6.57756062
  H     -0.83375429     -0.85272056      0.02608397
  H      1.44342260      3.09753127      5.19714740
  O     -1.11645695     -3.72008331      2.03358269
  H     -3.03579355      1.10083402      2.68955426
  H      2.43759150      4.21076873      5.56268016
  O     -0.53079303     -0.30705341      1.69646198
  H     -2.46763851      0.50674499      3.98110636
  H      0.65564591      0.93928186      1.81166063
  O     -3.40417886     -2.11931613      1.70195123
  H     -4.52715127     -0.87089710     -1.40941135
  H      2.07041088      1.29973922      1.32320412
  O     -1.66581347      1.39628342      5.40539554
  H     -3.66482870      0.19949114     -0.70263618
  H      1.69287233     -1.65987599      6.35942525
  O      0.92615023     -2.24934055      3.02460544
  H     -0.31704837      2.37291604     -1.48148163
  H      0.22293546     -1.29733285      6.04488617
  O      0.15900548     -3.60447313     -0.59299173
  H     -0.83587768      3.69645548     -2.09313777
  H      1.22393414      0.48042049      4.99996095
  O      1.52557496      4.05426939      5.33075719
  H      3.86856035      0.39705360     -0.34893143
  H      1.25643386      1.42345707      3.75194856
  O      1.38597432      1.56701260      1.94665259
  H      2.76524530     -0.55446260      0.16811513
  H     -0.48913039      4.67823413      2.96345859
  O      1.12478953     -1.30513595      5.68003101
  H     -2.23935670     -1.57968159      6.44173432
  H      0.15196431      4.78178389      4.37334389
  O      1.06199777      1.38210132      4.69969949
  H     -1.62442598     -0.17490531      6.28827267
  H     -3.42362247      2.26701001      0.43379424
  O     -0.63619622      5.00755595      3.85920594
  H     -1.94456077     -3.22942341      1.92506325
  H     -2.55795122      2.29715087     -0.83658260
  O     -3.33845225      1.88352410     -0.44842349
  H     -0.75350423     -3.84155128      1.14865963
  H     -0.56563825      3.57169549      0.44674489
  O     -0.43592978      3.60465800      1.40298304
  H     -0.04644875     -1.00731692      2.15719671
  H      0.26727221      2.97214955      1.60494833
          69
 Energy    -247.95473715601230     
  O     12.19895820     12.06972056    -14.50394436
  H     11.29914062     12.31605562    -14.70412281
  H     16.76470101     10.98323718    -14.56676722
  O     18.38614868      7.56641010    -14.06407066
  H     12.45150890     11.39224263    -15.15389413
  H     15.65830536      9.19962239    -18.85610185
  O     18.40622192     11.72175345    -11.37591309
  H     17.90172909      6.73504212    -14.13997876
  H     16.64498936      9.69594745    -19.93964699
  O     16.09216378     14.40183962    -13.38985349
  H     18.37394050      7.96556008    -14.94127306
  H     15.07988514     10.91210974    -12.85267135
  O     16.65758996      5.29194531    -14.29410277
  H     18.33016642     10.76905584    -11.51604589
  H     16.35298842      9.98409277    -12.74087259
  O     15.67317318      7.84644401    -10.27388943
  H     17.70798854     11.94718938    -10.74605610
  H     13.97329711     10.68414656    -16.56455921
  O     14.84540586      6.36602111    -12.58314244
  H     16.97511769     14.04124022    -13.52300951
  H     13.44631334      9.53689290    -15.63853593
  O     13.58461809     11.72842088    -12.08233241
  H     15.56830907     14.19610047    -14.17815753
  H     17.12097046      8.54095564    -11.30518526
  O     14.23496093      8.34116281    -18.27760754
  H     16.01086678      5.59572349    -13.63182576
  H     17.98155175      8.51763735    -12.61662471
  O     17.79545329      8.90053353    -16.58409681
  H     16.76845953      4.35427845    -14.16508181
  H     14.34600309     14.97993835    -10.89100172
  O     15.75461686      7.01280553    -16.32536287
  H     15.10478458      8.62264227    -10.14776596
  H     15.20820805     14.27534302    -11.96787011
  O     17.40299801     11.28551413    -15.23161895
  H     15.84078728      7.48586677     -9.40578640
  H     18.61196990     12.66730708    -12.79120624
  O     16.47080732      9.71641273    -19.00263340
  H     14.43750527      7.03526010    -13.14950326
  H     19.49870059     13.63565739    -13.61188395
  O     15.68484529     10.34366507    -13.34176309
  H     15.09036911      6.81548435    -11.76653486
  H     15.55646683     11.47338455     -9.67132413
  O     13.17569554     10.21600480    -16.27475899
  H     13.87381854     12.60696277    -11.79667413
  H     15.69313912     12.92942309    -10.14386362
  O     17.66631904      9.07775279    -11.89017560
  H     13.04269981     11.83426104    -12.87415425
  H     16.16583828     11.58936626    -16.48481139
  O     14.64837858     14.12480436    -11.18179228
  H     14.65018679      7.71885716    -17.66288947
  H     15.78411844     11.12815872    -17.90372692
  O     18.66534353     13.17369060    -13.62343701
  H     13.65588937      8.89681721    -17.74441240
  H     13.82479679     10.62042602    -10.71830102
  O     16.18362593     12.19908952     -9.74415381
  H     17.76065360      9.73047374    -16.08521688
  H     13.36691851     10.19508771     -9.30900957
  O     15.45568089     11.62186035    -17.14416746
  H     17.53137181      9.13146418    -17.48321683
  H     13.63082721     13.25015739    -15.14782912
  O     14.08402144     10.10870600     -9.93351770
  H     16.05569822      6.28812485    -15.76403293
  H     14.75085021     13.10755091    -16.19072728
  O     14.42716767     13.67720788    -15.48159029
  H     16.49094627      7.63850637    -16.39729570
  H     14.71124654      7.87440048    -15.11639588
  O     14.17193260      8.35691192    -14.47293023
  H     17.94632618     11.95474571    -14.80003091
  H     14.74082404      9.03053088    -14.06889398
          69
 Energy    -247.95447644703972     
  O     -3.12749757      6.70179005     -9.81558336
  H     -3.21248008      6.07010496    -10.53794750
  H     -8.22487928      6.44324212     -7.57146365
  O     -8.36655647      9.25231314     -9.23311457
  H     -3.61508840      7.48492575    -10.11835160
  H     -7.38387485      9.47270446     -5.74602082
  O     -4.67208980      8.68397174    -11.01168718
  H     -7.99589875      8.35776895     -9.23955335
  H     -6.36562800      8.46860583     -5.18347973
  O     -7.31269635      8.21042748    -13.75126972
  H     -8.73296091      9.38440050     -8.35092981
  H     -6.53556193     11.82221381    -10.92343930
  O     -0.68325333      9.39325588    -12.29324703
  H     -4.09022943      8.73061705    -11.77892201
  H     -6.08804214     12.19491227    -12.34105106
  O     -3.72068189      5.52486709    -12.35904945
  H     -5.34767762      8.02568562    -11.22621148
  H     -5.55778038      5.97572587     -4.71083520
  O     -2.58113818     11.32329544    -11.40568074
  H     -7.75769130      8.82329475    -13.13558649
  H     -5.53919195      6.64856966     -6.10245547
  O     -9.14001164      9.20722604     -6.51390517
  H     -7.92386003      8.04881857    -14.46509171
  H     -1.33165586      9.21161829     -9.26454697
  O     -5.98011158     10.63419770     -9.55583061
  H     -0.68282145      9.02321922    -11.39117820
  H     -1.56317805      7.74999277     -9.70523995
  O     -8.44813811      9.88988110    -12.01211202
  H      0.22782937      9.47965319    -12.55919472
  H     -2.11974109      8.46806236    -13.03042377
  O     -2.27339577     10.67906600     -8.56705782
  H     -3.38058919      4.83033734    -12.91639105
  H     -3.50906325      8.50679265    -13.77558867
  O     -8.55858059      6.54973216     -6.67024875
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  H     -5.51282174      6.06435569    -12.04930766
  O     -6.48153733      9.39893773     -5.41140624
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  O     -6.86470109     12.15135254    -11.77078351
  H     -2.59453574     11.16263468    -10.45600378
  H     -3.79138772     11.83139617    -12.56554967
  O     -6.06249975      6.54095335     -5.28981557
  H     -9.03432313      8.23872152     -6.52809290
  H     -4.10589311     12.81805335    -13.71237034
  O     -0.93829721      8.48376062     -9.76433756
  H     -9.97133515      9.38812301     -6.08319255
  H     -4.78321773     10.38600690    -14.06528850
  O     -2.92598413      7.97223399    -13.21257295
  H     -5.48576098     10.03135130    -10.13226881
  H     -5.68664923      9.12711128    -14.20416515
  O     -6.30991751      6.53015212    -11.76578268
  H     -6.85015633     10.23141061     -9.41783539
  H     -4.12134067      6.81945003     -8.28411744
  O     -4.43952849     12.04797398    -13.25855654
  H     -7.98505962     10.74117160    -12.01127022
  H     -4.68216685      8.08215752     -7.56430464
  O     -4.80931002      9.47903209    -14.39640293
  H     -8.60361642      9.66816992    -11.08691437
  H     -5.19149108      9.84983164     -6.57622263
  O     -4.78571240      7.12340074     -7.65302653
  H     -1.86380030     11.37184822     -8.05325813
  H     -5.11256982     10.25296405     -8.07929944
  O     -4.59612361      9.89909417     -7.33785285
  H     -3.05897035     10.40119992     -8.06834306
  H     -6.34369229      6.85451994     -8.65825491
  O     -7.17690811      6.73281726     -9.13322735
  H     -7.79433455      6.41573791     -6.09512598
  H     -6.95713961      6.52049099    -10.04981124
          69
 Energy    -247.95445175143956     
  O     -5.91529496      0.10686760     -0.31264175
  H     -5.31713701      0.77009931     -0.69343509
  H     -1.49167122      5.72198053     -2.08135432
  O     -4.73393492     -0.64994793     -4.45094116
  H     -6.08355349     -0.54385579     -1.00215898
  H     -3.45485640      2.01697246     -0.56593112
  O     -6.27364957      1.74718952      1.95439226
  H     -5.20813918     -1.12030733     -3.74933789
  H     -3.64115775      1.49733963     -2.01703782
  O     -0.09298477      0.35210223      3.24981117
  H     -5.39056059     -0.41180163     -5.10126098
  H      1.13691196      1.06498084      0.22248136
  O     -1.72930359     -0.57106000      1.18820519
  H     -6.31345343      1.19085882      1.16567402
  H      0.86826966      2.39976741      0.93782903
  O     -4.34431507     -1.35050185      1.48815097
  H     -5.87457682      1.20476534      2.64443141
  H     -0.46679921      4.37455304     -0.17789354
  O     -1.25277206     -1.12636083     -1.44224686
  H      0.57193205     -0.04661908      3.80494371
  H     -0.24287328      4.46478662      1.36132631
  O     -2.61815210      0.59554429     -3.19096002
  H      0.38134081      0.78175807      2.51434054
  H     -2.78178869     -2.29012867     -1.22948258
  O      1.03201274      0.55210292     -1.62541353
  H     -1.20460309     -0.44869532      1.98776583
  H     -3.78817907     -2.41300178     -0.05932901
  O     -2.61908891      1.31092362      4.25881275
  H     -2.62264470     -0.85489660      1.42786022
  H     -3.98332395      4.00437543      2.56501411
  O     -0.86437380      5.24581655      2.85483871
  H     -4.59039810     -1.03197451      2.36580032
  H     -2.84689336      3.09359726      2.05394293
  O     -1.56618823      4.91334846     -1.58079241
  H     -4.88699210     -0.84839414      0.86214381
  H     -4.10922624      0.45316989      4.04162343
  O     -4.10592898      1.90955702     -1.27712807
  H     -0.39384797     -0.72260842     -1.61640054
  H     -5.32762277     -0.23691714      4.69837258
  O      1.10974438      1.47578739      1.09455617
  H     -1.40942638     -0.96078707     -0.49912036
  H     -1.97232551      1.20679861      0.86651846
  O     -0.05380325      3.93246010      0.57432705
  H     -3.28582072      0.15487594     -3.73339116
  H     -1.40440226      2.63686538      0.58196208
  O     -3.63572614     -2.66401511     -0.97913276
  H     -2.20075591     -0.07364413     -2.63012940
  H     -4.30045770      3.72826695     -1.10849694
  O     -3.12084901      3.64539018      2.80409214
  H      0.51140387      1.28262268     -2.00662401
  H     -4.63718001      4.67650853      0.04832495
  O     -4.95600000      0.00940568      3.85561350
  H      1.82552641      0.48353719     -2.15026951
  H     -5.08071516     -2.28555301     -1.85634163
  O     -2.21542255      2.12566449      0.69757423
  H     -1.73599021      1.04388829      3.97974406
  H     -6.50092498     -2.73089830     -2.27586338
  O     -4.17035509      4.63463731     -0.79315073
  H     -2.77715654      2.18570612      3.87699024
  H     -5.88276392      3.43446171      1.78190281
  O     -5.90863787     -1.98338200     -2.27383761
  H     -1.69961556      4.75635198      2.92911710
  H     -6.34325178      4.89690318      1.97599248
  O     -5.59407275      4.36354960      1.72451583
  H     -0.59774375      5.45119261      3.74726014
  H     -1.32000012      1.90260903     -3.02076444
  O     -0.57319804      2.44214706     -2.72441421
  H     -2.48829530      4.86338559     -1.27497416
  H     -0.93833079      3.27156105     -2.39929047
          69
 Energy    -247.95441332983552     
  O     10.92053359      8.55772521    -13.29501428
  H     11.28911788      8.73636388    -14.17152934
  H     14.79575084      7.68810359    -17.27171638
  O     16.55934398      7.16260610    -14.74749593
  H     11.16421504      9.31172465    -12.74600948
  H     17.53410014     11.17276991    -13.82280223
  O     16.70719097      8.45745565    -10.78242839
  H     16.21806954      6.38864824    -14.27794975
  H     18.81252284     11.76472708    -13.18500926
  O     15.81307388     11.16237302    -14.16876167
  H     17.23088635      7.56725974    -14.18195962
  H     12.95973267     12.02557734    -14.81265497
  O     13.11638780      6.78237921    -17.16713028
  H     15.80471487      8.79614300    -10.81231208
  H     14.11592996     11.99248143    -13.81980658
  O     16.23637148      5.85779701     -9.85603187
  H     16.64492851      7.58430612    -10.36875384
  H     13.73950086      8.81591649    -14.48234015
  O     15.41142865      5.14862859    -13.24203742
  H     15.80735704     11.17415351    -15.13641262
  H     15.14604819      8.17888179    -14.21929706
  O     13.95637445      8.99620409    -11.21936285
  H     15.37595200     10.33172892    -13.92872711
  H     11.19339381      6.89332731    -12.91229318
  O     15.72873192     10.89923626    -16.95930252
  H     12.75477634      6.25736724    -17.87564113
  H     10.56598356      5.52858139    -12.54334234
  O     17.61131522      4.18782259    -11.79365977
  H     13.14290755      6.20894029    -16.37883793
  H     20.32061198      6.28220686    -11.65587108
  O     18.47041306     11.30305561    -16.64345317
  H     15.32230610      5.84462758    -10.17014637
  H     19.19641205      6.88667231    -12.50757283
  O     15.61068858      8.18853176    -17.15155358
  H     16.71041659      5.21871520    -10.40016704
  H     13.96875179      5.11793259    -14.43498225
  O     18.50500088     11.09886818    -13.79567449
  H     14.88094831      5.55599040    -12.54155856
  H     12.49014587      5.49131636    -14.22802182
  O     13.16266955     12.13606968    -13.87710194
  H     16.14653968      4.70089922    -12.80595721
  H     17.74073014      8.44517226    -12.16380726
  O     14.48193922      8.78469851    -13.86718341
  H     14.14621688      8.87244939    -12.16492239
  H     18.50347977      9.27733069    -13.24382034
  O     11.39406317      5.95402495    -12.74900486
  H     13.24636891      9.64515619    -11.19201697
  H     12.74968037     12.03720926    -17.43763273
  O     19.57639627      6.04638321    -12.20499238
  H     16.66306236     11.13746138    -17.01286081
  H     14.01708327     11.35524562    -16.87591157
  O     13.15039642      5.31327980    -14.90902895
  H     15.67859064      9.93498702    -17.07253611
  H     12.91194863      6.03029690    -11.64907295
  O     18.30685023      8.38151695    -12.95347647
  H     18.33929355      4.81154743    -11.95778607
  H     13.79800624      7.17441680    -11.11514338
  O     13.06928407     11.50346694    -16.71461799
  H     18.00591339      3.32686438    -11.68275457
  H     12.30253371     11.33060490    -12.55553141
  O     13.76255373      6.21410759    -11.23223508
  H     19.14846485     10.76455765    -17.04736018
  H     11.36048706     11.47508278    -11.34127258
  O     11.87041406     10.83875194    -11.83578573
  H     18.61146320     11.23113357    -15.68871608
  H     12.50433527      9.83300814    -16.10943574
  O     12.32154055      8.99587406    -15.66572250
  H     16.06011963      7.77811286    -16.39910382
  H     12.51644091      8.27793432    -16.28252994
          69
 Energy    -247.95435655079572     
  O     -2.79871508      3.90549176      3.26342579
  H     -3.67170935      4.28520594      3.44282858
  H     -4.32864319     -3.65340335      4.13575034
  O      0.34378671      4.76055825      0.73954004
  H     -2.67346783      3.98260356      2.31010827
  H     -2.69457750      2.75463613     -0.24400496
  O     -0.61076858      0.15598352      3.15949013
  H      0.99726394      5.34565882      0.36604855
  H     -3.44356048      1.63118240     -1.05855069
  O     -3.93347738     -1.60113627     -1.04137531
  H      0.73524726      3.86734649      0.74124883
  H      1.54672820      2.10820459      1.86191264
  O     -1.47565076     -2.25425278     -0.13096332
  H      0.12914820      0.68393904      3.48239543
  H      0.80110893      1.55873238      0.62568201
  O     -4.27369905      0.82574507      1.67855068
  H     -0.61396725      0.24975293      2.19556072
  H     -5.80231023      4.03224883      2.95907338
  O     -6.39540745      2.53530284      2.19406139
  H     -4.25552256     -0.78350679     -1.43407945
  H     -6.05698924      5.19792209      3.93221857
  O     -7.94053735     -0.67161069      1.19356350
  H     -4.49637858     -1.76455220     -0.26981335
  H     -2.81131537      5.25986263      0.27671646
  O     -2.98598952      1.24242507      4.09692826
  H     -1.14190398     -2.98426715     -0.64541442
  H     -1.42665287      4.59807002      0.50127238
  O     -4.89994946      0.98929012     -1.95850596
  H     -2.34922011     -2.02849778     -0.49885304
  H     -4.48845975      0.26791528      4.69032603
  O     -5.34228185     -1.70645009      1.33618414
  H     -3.68623187      1.12066108      0.97327268
  H     -4.96987534     -1.18051952      4.47969153
  O     -4.30982396     -2.79313838      3.72559947
  H     -3.80212358      0.90851127      2.51806372
  H      0.13823519      4.60220759      2.69391568
  O     -2.72772298      1.80849809     -0.43301135
  H     -5.64005563      1.97268621      1.96448542
  H     -0.99868386      4.20013053      3.64866275
  O      1.37114604      2.27919167      0.92853678
  H     -6.95569101      1.98564003      2.75809454
  H      2.09103906      2.06174075      4.45832983
  O     -5.37940701      4.78710514      3.40213935
  H     -7.11940361     -1.18344421      1.18802450
  H      0.90434775      2.81575026      3.81037769
  O     -2.38234689      4.42843207      0.46810234
  H     -7.98326424     -0.28704364      2.07687461
  H     -8.28708997      0.56033888      4.50264483
  O     -5.26581441     -0.30253915      4.75013017
  H     -2.91101031      2.18977101      3.91802753
  H     -6.81153946      0.26640018      4.15511985
  O     -0.03690142      4.27686815      3.58430291
  H     -2.13415654      0.84212918      3.87352641
  H     -1.34989766     -1.56405604      3.00814721
  O      1.41922695      1.98919844      3.78606608
  H     -5.18567573      1.08389354     -2.86316990
  H     -1.72927737     -2.39287985      1.76399535
  O     -7.65020061      0.60679630      3.79483881
  H     -5.68500563      1.14600237     -1.40270748
  H     -1.29227300      0.86396588      0.02412348
  O     -1.84104517     -2.34428929      2.72102955
  H     -5.08065228     -2.20773168      2.11655270
  H     -0.74349132     -0.58011440      0.13588160
  O     -0.55602896      0.33762187      0.36899723
  H     -5.00602688     -0.80558489      1.47027806
  H     -6.92324013      2.04715325      0.36072642
  O     -7.04620252      1.44107632     -0.37794245
  H     -3.40005879     -2.65560308      3.40491170
  H     -7.45417985      0.65916119      0.02316619
          69
 Energy    -247.95423894963932     
  O     18.35406981      4.45057614    -13.82693988
  H     18.97475917      3.73760271    -13.94944426
  H     13.25266192      5.80471629    -13.94027275
  O     14.38985212      9.99721833    -13.63982153
  H     18.09955333      4.75890574    -14.71474752
  H     14.60979929      9.62613408    -11.94211245
  O     12.06937394      9.14495930    -10.12049588
  H     13.53389772      9.65637751    -13.93187196
  H     15.53604848      9.55997109    -10.68728848
  O     13.40551247      7.69798702    -16.59431456
  H     14.77003261     10.54432662    -14.34196159
  H     16.53489651      8.00280314    -14.97438738
  O     17.42943551      5.43903455    -16.19632592
  H     12.98679984      9.31135181    -10.37776595
  H     15.47321124      8.57631289    -13.98597646
  O     14.71778792      5.56243610    -15.11951591
  H     12.06734612      8.26225019     -9.73284877
  H     16.57825962      4.29983674    -13.01166008
  O     17.26792382      9.77473808    -10.03674035
  H     13.72275928      6.85402113    -16.25347977
  H     15.44897778      4.93219026    -12.15829832
  O     12.14243833      6.32462414     -9.48372765
  H     12.82550466      8.07012946    -15.91744192
  H     15.52249248     10.66027197    -16.47982421
  O     17.52315824      8.26063297    -16.49132500
  H     16.47459560      5.36386687    -16.08620973
  H     16.64755372     11.09696626    -15.51774921
  O     10.25979024      9.21197639    -12.15361071
  H     17.60016106      6.36849328    -16.39974969
  H     19.19433203     11.13347034    -15.31317863
  O     10.44820523      6.37322590    -11.61802623
  H     15.12414518      6.38985842    -14.80745671
  H     18.50260433     10.28875425    -14.22072452
  O     12.74384721      6.18711789    -13.21708187
  H     14.96878051      4.90831109    -14.44848264
  H     11.33755219      8.97518358    -13.69378602
  O     14.69581157      9.25747530    -11.05001313
  H     17.29932664      8.80902375     -9.91125309
  H     12.28729150      7.78882510    -13.89858303
  O     16.00738768      7.79903103    -14.18972643
  H     17.55924775     10.16844572     -9.21853883
  H     15.01405226      9.42510058    -18.69646323
  O     15.62429653      4.29982754    -12.86235687
  H     11.81319068      5.81976073     -8.74506526
  H     14.56374012      8.72394480    -17.39397980
  O     15.70533259     11.20106829    -15.70142429
  H     11.46938247      6.26825882    -10.18558348
  H     18.18388437      9.90577387    -11.75805487
  O     18.45178175     10.55610362    -15.15579142
  H     16.81342256      8.59826101    -17.05584787
  H     18.62011992      8.71572671    -12.61676732
  O     12.03981871      8.64943560    -14.26981157
  H     17.98073882      9.02755786    -16.12158272
  H     14.61652616      7.43284552    -11.07683102
  O     15.26002043      9.27986973    -17.78676923
  H      9.56311182      9.83443498    -11.96344299
  H     13.78017956      6.32075356    -10.38495744
  O     18.60429734      9.68271618    -12.59546928
  H     10.89625227      9.27112450    -11.41819925
  H     18.36420710      6.08555652    -12.97577986
  O     14.50765092      6.47100762    -11.00505511
  H     11.11466894      6.14407268    -12.28096652
  H     17.30948781      7.21353429    -13.09081823
  O     18.10021959      6.93462709    -12.60320838
  H     10.19295013      7.28194176    -11.81861852
  H     16.28734341      6.70338317    -10.11050418
  O     17.17843311      7.04886844     -9.99447741
  H     13.35981331      6.27432814    -12.47759637
  H     17.60689536      6.93005798    -10.85620992
          69
 Energy    -247.95422446059706     
  O     14.54279041      5.98222831     -8.79280891
  H     14.94021472      6.83123179     -8.56803946
  H     17.19241236      8.85019988    -13.53736863
  O     17.50751706      7.74848330    -14.96245807
  H     15.16623888      5.55458798     -9.39442542
  H     15.32861700      8.65880104    -12.40681675
  O     16.05802367     11.85794261    -13.38196654
  H     16.93915241      6.96539089    -14.97180682
  H     14.18414575      8.66368149    -11.35818671
  O     10.49465462      8.01752313    -12.67653232
  H     18.40581720      7.43799458    -14.78937305
  H     12.84817640      5.81785423     -9.12258905
  O     18.62490671      3.67842403    -11.55976772
  H     15.49314148     11.58362224    -14.12927705
  H     11.51153763      5.19032430     -8.66755699
  O     11.75133352      5.65047113    -12.16774346
  H     16.42161778     12.70947573    -13.60780554
  H     20.86716541      6.76208697    -14.49291976
  O     17.57407174      7.73006510    -10.51592521
  H     10.92983378      7.15213018    -12.57482508
  H     19.93792956      6.57996719    -13.26890602
  O     13.65725760     11.60790854    -11.77794497
  H      9.59587719      7.84034718    -12.94165240
  H     14.43071882      6.58295621    -12.55900611
  O     18.38326348      4.22272654    -14.21164206
  H     18.52337795      3.78017627    -12.52316940
  H     15.13648422      5.32042250    -12.02142711
  O     14.45001471     10.92909619    -15.31736813
  H     18.98023253      2.80702990    -11.40860571
  H     16.37183104      9.17527596    -17.66907314
  O     12.55051481      9.70991235    -13.63615001
  H     12.66534319      5.50447037    -12.44080452
  H     16.55511565      8.66499092    -16.23228534
  O     16.97928604      9.31236147    -12.71507521
  H     11.75757499      5.58686562    -11.20335480
  H     15.37969630      5.45883600    -14.22142678
  O     14.45781089      8.29105769    -12.20626512
  H     17.42226210      8.34282887    -11.24977629
  H     15.34152448      5.26939833    -15.75621683
  O     11.90040378      5.74912921     -9.33502650
  H     17.06127978      8.05505153     -9.76545696
  H     19.49510365      5.40408069    -11.42103602
  O     19.95769462      6.62554269    -14.24227723
  H     13.12435227     11.12412448    -12.42298946
  H     19.11743619      6.86607290    -11.09848096
  O     14.53147016      5.62884087    -12.70947525
  H     14.48820328     11.80403754    -12.22560090
  H     11.43715872      7.55157434     -9.66370284
  O     15.92309747      9.09048536    -16.83078114
  H     18.98374000      4.96574523    -14.35110064
  H     10.95847765      8.42902208    -10.83627478
  O     15.93027421      5.42826009    -15.02251690
  H     17.52265963      4.51350002    -14.53791038
  H     17.12179190      4.56112421    -10.92541762
  O     19.76737396      6.31934172    -11.56032459
  H     14.86846537     10.27991407    -15.89849797
  H     16.80834873      6.06308450    -10.69857748
  O     11.31485178      8.46879508     -9.94090521
  H     13.68611758     10.50301215    -14.90671921
  H     15.06804997      9.01285446     -8.93664419
  O     16.40999487      5.18051864    -10.72696768
  H     13.25015984      9.18034082    -13.22433217
  H     15.94223527      9.01250800     -7.66010284
  O     15.79566095      8.55140500     -8.48186161
  H     11.73311151      9.24435118    -13.42641848
  H     12.85850388      9.30864000     -9.79414324
  O     13.75887680      9.66222829     -9.85781937
  H     16.76529668     10.23065815    -12.92681701
  H     13.73222308     10.45257813    -10.41706986
          69
 Energy    -247.95419676838213     
  O     10.00787210      9.93055344    -11.66466492
  H      9.14592557      9.88544438    -11.26051382
  H     12.30962230     11.76811503    -10.62130691
  O     14.79945492     10.39320974    -12.75636215
  H     10.61201833     10.32149220    -11.00730624
  H     10.18645192     10.98022844    -18.15913880
  O     16.97372488     13.41142378    -13.60567169
  H     15.66993865     10.67573300    -12.44510534
  H     10.55922716     11.83969925    -16.92755022
  O     15.94399162      7.33335303    -13.35220861
  H     14.55008394      9.58722096    -12.28451648
  H     14.43774730     13.20803824    -14.89151013
  O     11.21692368     11.59316722    -13.56178680
  H     17.32200750     13.17592167    -14.47502839
  H     13.54915211     14.45132947    -14.75491959
  O     12.28450376     15.03395462    -16.06260757
  H     16.09148562     13.76904930    -13.75743161
  H     17.82215197     11.44655412    -15.97392878
  O     14.98231445     12.05844987    -16.23726369
  H     15.57046318      7.72548502    -14.14794845
  H     18.42892517     12.60682490    -16.80415633
  O     14.03734772      9.52544802     -9.22094187
  H     16.76373483      7.81522118    -13.18052776
  H     16.70945898      9.50697622    -15.62246866
  O     13.38450565     12.58402344    -11.98529153
  H     10.68500227     11.06362039    -12.95340420
  H     17.95336344      9.46840378    -14.71140791
  O     14.82699677      9.37168451    -15.27668426
  H     11.91294131     12.00795419    -13.04001505
  H     15.01836923     11.13123161     -9.57961286
  O     18.24448096      8.99984352    -12.90914290
  H     12.18829210     15.89462079    -16.46185621
  H     14.79501724     12.41487936    -10.39827946
  O     11.84838234     11.11384242    -10.08150879
  H     12.54354563     14.42157689    -16.77554161
  H     11.69194104     10.00779921    -16.25216556
  O     10.89325618     11.16412334    -17.54593998
  H     15.92723119     12.23992978    -16.32493932
  H     11.87259000     10.34994598    -14.76746592
  O     14.19036370     13.91331975    -14.27546687
  H     14.89497425     11.13067775    -15.99161133
  H     13.74223531     12.72319882    -17.40540855
  O     17.75751242     12.40113653    -16.15977912
  H     14.14295057      8.99710985     -8.43369218
  H     12.31794683     12.42300254    -17.90868862
  O     17.63783311      9.76755441    -15.57330136
  H     14.05018501      8.91107102     -9.97482835
  H     11.07106497      8.62676140    -12.55802314
  O     15.45623211     11.93494343     -9.88940887
  H     13.63470900     13.22571607    -12.66432809
  H     11.80117980      8.45537001    -13.90653600
  O     12.08053356      9.67790397    -15.43323537
  H     13.84556429     11.76368302    -12.22927346
  H     17.25696239     12.10216932    -12.44373949
  O     12.98635988     13.11694692    -17.86412698
  H     13.88178286      9.31573734    -15.47392113
  H     16.80330177     11.56283577    -11.04842561
  O     11.75228245      8.11066618    -13.00761358
  H     14.87796051      9.76049933    -14.38714147
  H     10.80306544     13.82290168    -15.77140676
  O     17.26970903     11.32509627    -11.86271131
  H     19.07432370      8.73980067    -12.51697711
  H     10.47324318     12.60030409    -14.89477761
  O     10.21935125     13.05757426    -15.70917966
  H     17.97716562      9.82869111    -12.47610376
  H     13.19734742      7.96333046    -11.99049184
  O     14.03323762      8.02518379    -11.50155368
  H     12.53550090     10.56797408     -9.67925680
  H     14.71776243      7.60361787    -12.04083555
          69
 Ord_Energy   -247.954193    
 O   -2.47738028       1.93761492       4.03645754    
 H   -2.16990328       2.50305629       4.73924637    
 H   -2.29203677       2.39958882       3.19886875    
 O   -4.03159904      -2.14698339       3.82444572    
 H   -4.90823650      -1.83529496       3.57157493    
 H   -3.97278404      -3.07493496       3.56760263    
 O   -3.45099092      -4.77302122       2.88453221    
 H   -3.98268914      -4.91983366       2.08281994    
 H   -3.47303176      -5.58654404       3.38124228    
 O   -5.79452705      -2.31075144      0.535702705    
 H   -4.83158541      -2.23802066      0.454249412    
 H   -6.05643368      -1.82833147       1.32985353    
 O   -5.31618214       1.13823199      -1.20346200    
 H   -5.88818455      0.412986845      -1.47342610    
 H   -4.41500950      0.795484722      -1.29809093    
 O   -1.91996062     -0.627176166       3.01473498    
 H   -2.69966388      -1.13123679       3.30031538    
 H   -1.97968924      0.220015675       3.47110176    
 O   0.531462193      -3.62876058       1.78793501E-02
 H   -3.73233110E-02  -3.55425596      0.797154129    
 H   0.785383761      -2.72485232     -0.204402804    
 O   -6.60176373      -1.33720541      -1.88903785    
 H   -7.50621033      -1.57797062      -2.07443833    
 H   -6.38635206      -1.71341538      -1.01808763    
 O   -1.01280415      0.503496170      0.580639720    
 H   -1.35546732       6.73098266E-02   1.37330663    
 H   -1.66901255      0.399953544     -0.126481384    
 O   -4.49144793      -2.70610118      -3.30507159    
 H   -5.21450520      -2.20089030      -2.91494751    
 H   -3.86021328      -2.06239176      -3.64916396    
 O   -3.35602999      -4.55335093      -1.64107859    
 H   -3.77192044      -4.00355244      -2.32476497    
 H   -2.43870521      -4.71119738      -1.89522314    
 O   0.934862614     -0.913855553     -0.774191976    
 H   0.296416521     -0.387510329     -0.266243070    
 H    1.75324893     -0.422982186     -0.770539224    
 O   -4.82502365       2.98809743      0.687009215    
 H   -5.05430126       2.34214854      -4.83537978E-03
 H   -5.27572870       3.79813433      0.463266909    
 O   -2.81779408      -1.60726998E-02  -1.40870881    
 H   -2.67714190     -0.203167334      -2.34447622    
 H   -2.92970586     -0.868533552     -0.957256734    
 O  -0.589493215      -4.75338078      -2.16047597    
 H  -0.171241865      -4.42816639      -1.34189725    
 H   -7.46162906E-02  -5.50012064      -2.45465326    
 O  -0.273570746      -2.07796025      -3.11427808    
 H  -0.372534364      -3.00908113      -2.88087821    
 H   0.153133720      -1.65117395      -2.36132956    
 O   -3.06139874      -2.33619857      -2.86638993E-03
 H   -2.42835498      -2.55939579      0.688193440    
 H   -3.13562965      -3.10945201     -0.580318332    
 O   -4.94853354      -5.02886868      0.630290270    
 H   -4.43364382      -5.05082750     -0.188523397    
 H   -5.44551563      -4.20101976      0.602156341    
 O   -2.46243238     -0.843816578      -4.05655432    
 H   -1.64253628      -1.30316830      -3.79649925    
 H   -2.28648186     -0.406798184      -4.88486195    
 O   -2.09385324       2.95952725       1.55456126    
 H   -2.97343302       3.00794268       1.15806913    
 H   -1.63042557       2.23425245       1.11617136    
 O   -1.28633952      -3.15865254       2.04523897    
 H   -1.34724641      -2.31657839       2.51720524    
 H   -1.94566035      -3.75918317       2.41703486    
 O   -6.42162037     -0.940630972       2.88626575    
 H   -5.97564983      -7.47222677E-02   2.92689657    
 H   -7.23382330     -0.853666306       3.37758875    
 O   -5.12795258       1.41625929       3.02173305    
 H   -5.08673048       1.97352254       2.23410344    
 H   -4.29164505       1.54622138       3.48281860    
          69
 Energy    -247.95411507995857     
  O     20.24399314     11.62889286    -19.08974527
  H     20.64092930     11.05427553    -19.73855063
  H     20.22674755     15.14615532    -18.57826470
  O     18.69271224     18.33126027    -13.44749446
  H     20.97303015     12.00987810    -18.56777498
  H     14.60861845     13.94962786    -13.99872874
  O     16.07773270     14.89600574    -13.56832720
  H     19.60421279     18.06789385    -13.62223615
  H     13.11171419     13.59021521    -13.87687132
  O     16.81445276     13.82477263    -17.76312551
  H     18.28857212     18.55108836    -14.29920823
  H     22.67362437     14.55068678    -15.27422791
  O     15.72174721     11.11877861    -13.75847301
  H     16.68371607     14.15373263    -13.42387412
  H     22.30819310     14.00561583    -13.89180066
  O     14.50392495     12.55409441    -16.99691259
  H     16.34822562     15.58964148    -12.95351582
  H     18.49611536     12.67435449    -13.68885334
  O     22.09088455     12.93222338    -17.58844648
  H     17.40805138     13.12124125    -17.47020304
  H     17.12737828     12.08196514    -13.20936066
  O     22.80340499     16.26419969    -16.19577552
  H     15.92073523     13.47218261    -17.63673707
  H     16.13194921      9.35811574    -16.81440146
  O     17.23401090     16.76200535    -11.83389996
  H     15.00053558     11.75031723    -13.86939402
  H     16.95315751     10.65727550    -16.64402656
  O     19.77789204     12.88505669    -14.96874616
  H     15.84231603     10.70807101    -14.62385863
  H     17.03646816     17.78097437    -16.04437789
  O     19.00774338     14.23531865    -19.55132750
  H     14.21540131     12.84842266    -16.12426757
  H     17.40566266     19.09899385    -16.74217655
  O     20.80306805     15.43303474    -17.85617541
  H     14.91308006     11.69041626    -16.85784159
  H     22.29742562     14.90712136    -11.51348552
  O     13.93033085     13.31499007    -14.28226944
  H     22.37444826     12.93152299    -16.66938109
  H     20.84299610     14.78037738    -12.01969015
  O     22.48285420     13.72989771    -14.80191465
  H     21.68710738     13.80142219    -17.72746330
  H     21.76173033     16.95411251    -14.75831928
  O     17.78652218     12.77043446    -13.03957743
  H     23.59158058     16.58715575    -16.62528826
  H     21.38293111     16.38941231    -13.36998614
  O     16.10530661     10.23133914    -16.43188437
  H     22.16013010     16.07406233    -16.89995854
  H     18.70437414     13.92570550    -11.94310012
  O     17.42021344     18.65965398    -15.89566537
  H     16.89101195     17.28704146    -11.11602963
  H     18.56853936     15.41295489    -11.56375580
  O     21.76719243     14.89859320    -12.30617252
  H     17.74820470     17.36499841    -12.40174749
  H     19.00976148     11.50399768    -17.74464381
  O     21.12993306     17.04477147    -14.03409920
  H     20.73621284     12.92591970    -14.88631807
  H     18.93409517     11.96905032    -16.26195987
  O     19.18924422     14.67556945    -11.57166210
  H     19.51633327     13.79949521    -15.16432482
  H     19.76669440     16.10521632    -14.94478922
  O     18.41396495     11.60251569    -16.99105847
  H     18.15855427     14.19181577    -19.09215360
  H     18.40525430     15.79992484    -15.67068042
  O     19.31291751     15.49972395    -15.54239848
  H     19.34874679     13.33327104    -19.56528836
  H     16.34649291     15.63258748    -15.22198884
  O     16.64460288     16.01098560    -16.06061098
  H     20.23815413     15.47262917    -17.06945862
  H     16.65696846     15.29928928    -16.71629611
          69
 Energy    -247.95390231805752     
  O     11.15103185      8.68597745    -14.14608964
  H     11.06366488      9.43904899    -13.55161441
  H     17.03802080      8.95660977    -16.30227401
  O     17.18154568      8.74340428    -14.55971304
  H     11.67242296      9.01181295    -14.89340068
  H     18.43374957     11.30370806    -13.58405203
  O     15.56113175      9.82541391     -9.74781904
  H     16.93127168      7.93694567    -14.08444365
  H     18.03074851     10.92974964    -12.14098874
  O     15.59374703     12.60017732    -13.03346269
  H     17.69336963      9.30498834    -13.96469177
  H     13.77391934     12.89663928    -13.45606692
  O     14.33730836      7.82356580    -17.37919437
  H     14.73751439      9.80468115    -10.25334795
  H     12.99535845     12.74028224    -14.77199957
  O     16.05024251      7.09093683     -9.63715184
  H     15.80252399      8.90219811     -9.59168271
  H     15.04707304     10.92811425    -13.65765497
  O     16.31905692      6.55872429    -13.16381307
  H     15.98886041     12.37600341    -12.18076471
  H     15.59611487      9.55155996    -14.13098531
  O     13.42750382      9.57113849    -11.52013116
  H     16.33192188     12.77902154    -13.62925139
  H     11.74632794      7.08250147    -13.77960903
  O     17.87325898     12.68252555    -14.72842284
  H     14.40580317      7.12027095    -16.71443126
  H     11.40807851      5.57795077    -13.68659669
  O     18.34289038      6.30347802    -11.23445218
  H     15.21429637      8.21614892    -17.45268695
  H     19.49865404      9.25622784    -12.20556024
  O     16.22715912     11.86382831    -16.67219409
  H     15.31048546      6.83690466    -10.20472526
  H     20.83803995      8.73051204    -11.67306593
  O     16.88119472      9.16196921    -17.24028037
  H     16.84832602      6.80401146    -10.09507829
  H     13.64665795      6.03259390    -14.76948077
  O     18.50574647     10.60601347    -12.91988879
  H     17.03166059      6.34251608    -12.55051920
  H     15.17918904      6.06375780    -14.63739803
  O     12.88198009     12.80903770    -13.81639690
  H     15.52424726      6.69733569    -12.62790789
  H     17.40666676     12.27242475    -10.09315698
  O     14.79584266     10.01820567    -13.86288587
  H     12.60293929     10.04806414    -11.66300981
  H     16.54211485     11.02180772    -10.38039699
  O     12.12436765      6.20223544    -13.60589710
  H     13.92542263      9.66198901    -12.34760650
  H     12.86772309     12.58776559    -17.34331197
  O     19.92482864      8.48506204    -11.80218478
  H     17.31368521     12.39127509    -15.47240822
  H     13.16402383     11.35505200    -16.45619743
  O     14.46409450      6.01781036    -15.28233725
  H     18.36210271     13.44135986    -15.03510207
  H     13.75010912      7.78354352    -11.49956281
  O     17.07236481     11.72614383    -10.79877511
  H     18.92162933      7.06432004    -11.40744436
  H     13.33806714      6.49053341    -12.22309379
  O     13.39030144     12.29148571    -16.60240008
  H     18.90883913      5.57714993    -10.98462860
  H     10.52100791     11.54503219    -12.11404943
  O     14.00719909      6.85985406    -11.63319799
  H     15.27792998     12.03234326    -16.68963091
  H     11.79495871     11.69637113    -12.97350794
  O     11.24524316     11.05336425    -12.49206750
  H     16.36627318     10.95916217    -16.97960519
  H     13.38135849      9.02757783    -16.53802423
  O     13.00252340      9.70321698    -15.95541983
  H     17.63598551      8.83368523    -17.72295558
  H     13.59414519      9.78414460    -15.19188591
          69
 Energy    -247.95387944462658     
  O     14.27093744      9.30136741    -10.33317569
  H     13.85096364      9.90790233    -10.95852940
  H     13.50425365      7.73443491     -9.84786747
  O     12.74184873     10.34090224    -16.07471582
  H     14.94717829      9.78125910     -9.83838269
  H     19.48128950      7.74535127    -15.50863903
  O     15.83351097     11.10567961    -13.57740421
  H     12.95323080     11.15374766    -15.59815217
  H     18.07189708      8.30489302    -15.20589957
  O     14.13191216      4.66430503    -12.78147205
  H     12.43412021      9.70808226    -15.41554110
  H     14.57214614     12.22433168    -14.32238305
  O     17.11582868      7.77811290     -8.52295284
  H     16.49651315     11.22427051    -12.88015559
  H     13.78701876     13.51464085    -14.64593129
  O     15.89802694      7.84870094    -12.09054629
  H     15.04895143     10.74898489    -13.14219901
  H     12.07399660      7.75126792    -13.33102300
  O     13.23457605     10.65879677    -12.46661930
  H     14.92332299      4.75670433    -12.23947776
  H     13.24279446      8.14630165    -14.24736961
  O     18.55713812      8.61528841    -12.24102337
  H     14.44399533      4.61725662    -13.69339488
  H     14.76597079     10.01582990    -18.53177059
  O     17.60337746     11.13271814    -11.50571512
  H     16.48792871      7.04866137     -8.49695906
  H     14.14207928     10.02471456    -17.12541414
  O     17.65245420      5.16993314    -14.01717457
  H     17.87667681      7.44477875     -9.01980232
  H     11.17892008      5.61960298    -12.23355536
  O     15.33521964      4.89584332    -15.34917838
  H     15.30888178      8.31855043    -11.48750426
  H     12.70829915      5.62778845    -12.45460516
  O     13.21354899      6.81704199     -9.74107985
  H     15.45863102      7.74351246    -12.94421962
  H     15.12949664      4.90240424     -8.10145171
  O     18.75643328      7.69031595    -14.89053020
  H     12.85324189      9.90589784    -12.94457136
  H     14.55331301      5.91805791     -9.11829965
  O     13.69027870     12.57217410    -14.53662596
  H     13.11450762     11.43749616    -13.01961719
  H     16.35323923      6.22852732    -11.57727233
  O     12.39352316      8.46229919    -13.89894470
  H     17.61249606      8.40799970    -12.15539237
  H     16.24768197      5.19650028    -10.43658170
  O     14.97619417      9.90123053    -17.60933978
  H     18.80320710      8.35295773    -13.13518326
  H     18.37017941      6.02630926    -10.60946895
  O     11.94243832      6.19205654    -12.24496478
  H     18.12681593     10.35145086    -11.73359500
  H     19.03091477      7.37382570    -10.92313933
  O     15.37128409      5.48004945     -8.82016573
  H     17.25626927     10.96192511    -10.62206302
  H     15.48262253      8.14911089    -15.08957155
  O     16.58624634      5.31654358    -11.33403721
  H     17.46365559      5.15324615    -13.07116408
  H     14.98251704      6.66807740    -14.99388180
  O     18.99147536      6.67239663    -10.25755065
  H     18.08419663      6.00947910    -14.21809481
  H     16.74111670      9.43834885     -8.78363107
  O     14.84937636      7.56251376    -14.65688681
  H     15.39681730      4.33651470    -16.11784346
  H     16.56907955     10.84879402     -8.17258383
  O     16.47050856     10.35434957     -8.98174856
  H     16.21873909      4.91615047    -14.93643370
  H     16.21829385      9.61122739    -16.38862636
  O     16.72819448      9.39558666    -15.59281385
  H     12.70598872      6.60844879    -10.53273613
  H     16.49407822     10.04073706    -14.91010442
          69
 Energy    -247.95364749084635     
  O     -0.67284335     -2.80193175      0.70999219
  H     -0.19753782     -2.49311001     -0.06786769
  H      1.48498713     -1.48010039      2.86995808
  O      1.36586268      3.03355891      0.24303436
  H     -1.58010507     -2.48273874      0.61377244
  H      4.97552264      0.15673231      1.78535504
  O     -2.18207893      0.55374000      1.88493540
  H      2.31895841      2.99949273      0.39943942
  H      3.62705531      0.12750731      2.52955725
  O      0.21371620     -2.70220067      3.26933775
  H      0.96969942      3.36231388      1.05955278
  H     -2.07379315      0.47775798     -1.65603156
  O     -3.20839495     -1.57700146      0.37513629
  H     -1.92190251      0.22740577      2.76010400
  H     -1.14167605     -0.74406675     -1.87207204
  O      2.95778388      4.67489558      3.04140907
  H     -2.64124034     -0.15630480      1.42083158
  H      1.93351304      1.71543994      4.56870383
  O      3.64176767      2.35227815      4.62456584
  H     -0.11777164     -2.79452149      2.35746634
  H      1.37615576      0.62702786      3.64570166
  O      5.47980412     -0.80619254      0.21380725
  H      0.25958055     -3.57994432      3.63858014
  H     -2.23754763      2.29637943      1.67893555
  O      0.37233919      3.65389971      2.78234651
  H     -4.07280989     -1.93742610      0.20031750
  H     -2.96171153      3.66113326      1.62626555
  O      2.30245568      0.48045937     -2.93979441
  H     -2.88087905     -1.19796310     -0.46333465
  H     -0.52288961      0.54954894      1.06470309
  O      0.52399633      2.71610744     -2.39031507
  H      2.01792664      4.43679924      2.98756166
  H      0.67823560      1.39107716      0.49308428
  O      2.00391914     -0.75548221      2.49516638
  H      2.99172876      5.60398709      3.25666807
  H      3.82122359      3.68791792      1.63274867
  O      4.44731187      0.63230059      2.43862594
  H      4.11377598      1.78204123      4.00453313
  H      4.18731442      2.19049485      1.51237035
  O     -2.06200403     -0.48678399     -1.76741606
  H      3.55377840      3.20694699      4.18515107
  H      4.80308167      0.59665579     -0.86580651
  O      1.10540846      1.35260120      4.22114661
  H      6.21333488     -1.39219001      0.04808258
  H      4.30056277      2.03337516     -0.66374522
  O     -2.10730320      3.24816012      1.52268076
  H      4.66771580     -1.33806258      0.13331165
  H     -1.96880742      2.69605252     -0.48551421
  O      0.38664712      0.50497202      0.74460919
  H      0.52299423      2.84408893      3.29222169
  H     -1.15330991      2.46441946     -1.77887228
  O      4.02630321      2.99337231      0.99501054
  H     -0.53353305      3.62304135      2.44772172
  H      2.36517888     -1.90239846     -0.46587796
  O      4.31364111      1.30760482     -1.29824188
  H      2.65451547      0.43127645     -3.82523003
  H      2.73339955     -1.77790113      1.01739903
  O     -1.97225515      2.22075630     -1.31937386
  H      3.02610320      0.79642301     -2.37026700
  H      0.58448462     -0.59192186     -0.62497729
  O      3.07570073     -2.06932360      0.16392983
  H      1.07956856      1.98617522     -2.68332866
  H      1.26412221     -0.72434372     -2.00641605
  O      0.76066826     -1.21982227     -1.34553038
  H      0.87136061      2.97069233     -1.52332452
  H     -0.45769150      0.25845629      4.46839481
  O     -1.16560803     -0.35873703      4.24174080
  H      1.44325872     -0.30365210      1.84087308
  H     -0.74402015     -1.20509371      4.04860001
          69
 Energy    -247.95363860815928     
  O     11.67074791      9.92902460    -14.44475286
  H     11.45138366      9.27691608    -13.76813761
  H     21.20524102      7.05963976    -13.14836598
  O     16.68516261      5.89382078    -12.94586086
  H     11.84544818      9.44660511    -15.26160356
  H     15.57604137     10.22125576    -16.41838787
  O     17.45842113      9.96177275    -11.40943603
  H     17.26099018      6.37971808    -12.33755373
  H     14.41736890     11.06236924    -15.83178283
  O     17.09335674      9.28611617    -15.79383120
  H     15.87639182      5.71139069    -12.44830983
  H     15.85219364      7.20937347    -13.81136482
  O     13.41627870      6.43541150    -15.62594861
  H     16.58078599     10.05280373    -11.80628449
  H     14.60201174      7.44000760    -14.70120521
  O     15.13504475      8.48444086     -8.61153126
  H     17.38248900     10.26840183    -10.49440452
  H     10.22012388      7.84606962    -12.08329796
  O     14.49853203      5.83866042    -11.24706143
  H     16.43506407      8.80650913    -15.26657099
  H     11.47439062      7.17205835    -12.68944259
  O     14.95591501     10.02421258    -12.58376239
  H     17.78924813      9.55302579    -15.17518998
  H     13.06906565      5.55828804    -12.54431406
  O     17.76577316      7.04846339    -17.18684467
  H     13.06514722      7.16154028    -16.15811532
  H     12.70098123      5.86449045    -14.02600202
  O     16.58256460      6.09006747     -9.31027316
  H     14.09956394      5.98665864    -16.14560268
  H     18.49517324      9.96532051    -12.97770828
  O     18.77639845      5.78803461    -14.81360082
  H     14.45254682      8.50420461     -9.29535250
  H     19.48613338      8.97776810    -13.61441144
  O     20.27661989      7.26757009    -13.09200847
  H     15.60030249      7.64791954     -8.72810024
  H     17.95644446      8.25601374    -11.19010098
  O     14.66851540     10.50789856    -16.58117843
  H     15.10882836      5.73574366    -10.50665855
  H     19.06052440      7.27567601    -11.66570466
  O     15.32063913      7.89164113    -14.24262585
  H     14.13465633      6.73234855    -11.15570059
  H     16.85427646     11.14092595     -8.05048176
  O     11.09818423      8.02617040    -12.40899481
  H     14.55064255     10.74317594    -13.08216559
  H     16.27932497      9.84615868     -8.65131539
  O     12.33232516      5.73857060    -13.14011347
  H     15.04853239      9.27563709    -13.19405055
  H     16.30324910      5.91140267    -17.08423631
  O     18.93367792      9.74267543    -13.81029131
  H     17.55644538      7.89739502    -16.76062007
  H     15.94991714      4.45014255    -16.78356979
  O     18.25242329      7.33399954    -11.14090606
  H     18.26211278      7.25246373    -17.97535466
  H     12.58759794      8.37026444    -11.29486632
  O     16.94703532     10.54051361     -8.78458717
  H     17.24509632      6.51270308     -9.88169885
  H     13.96830438      9.05927002    -11.42424500
  O     15.55985482      5.30670353    -16.94780478
  H     17.06120272      5.52189023     -8.71166434
  H     12.84594972     11.18816184    -14.28939630
  O     13.46253021      8.42655642    -10.89365032
  H     17.98684586      5.66933467    -14.26684406
  H     13.24180667     12.68171629    -14.15998947
  O     13.60150894     11.80443425    -14.25685945
  H     18.48132508      6.18085098    -15.64300981
  H     12.18191757      8.93675607    -17.75022130
  O     12.60111267      8.77527891    -16.90904534
  H     19.82197073      6.70989433    -13.74801796
  H     13.36514702      9.37760843    -16.85679089
          69
 Energy    -247.95356098343041     
  O     11.73327428     11.57412252    -15.85942705
  H     11.87097358     10.83341650    -15.24337088
  H     14.66787140     10.15697919    -12.45440393
  O     13.70659035      9.78372615    -19.99753041
  H     10.99011012     12.07356365    -15.53120847
  H     16.67556205      7.82363928    -14.38676375
  O     11.26099791      7.27013339    -17.09429467
  H     13.32805417      9.87218144    -20.86789585
  H     17.21996035      9.13036156    -15.08730026
  O     13.15729373      7.54934156    -10.33164865
  H     12.96601119      9.81514419    -19.36273055
  H     15.65157884      5.55458722     -9.93523578
  O     14.53769395     11.60248079    -16.11642771
  H     11.01557596      7.12171341    -16.17269493
  H     14.46145846      6.38813951    -10.47326208
  O     18.15046766     10.73062605    -18.17448761
  H     11.92491973      6.60063021    -17.29530319
  H     13.98992369      6.16016956    -17.96458299
  O     15.61423417     11.48655818    -18.76860903
  H     12.35789886      7.17740517    -10.72315587
  H     13.52482160      4.68768010    -18.03565019
  O     13.12922219      4.39226640    -12.23305169
  H     13.41309764      8.30441336    -10.87969340
  H     15.56038454      6.58476913    -12.34439786
  O     11.77003468      9.78177712    -18.14744352
  H     13.60364156     11.84328798    -16.08955429
  H     14.87971155      6.62073437    -13.74021981
  O     14.47763914      8.85329904    -16.15872198
  H     14.55000968     10.63260640    -16.18028390
  H     11.73609449      5.37916618    -11.80086570
  O     14.77367808      7.56583064    -18.64895267
  H     18.79000115     11.17600120    -18.72362092
  H     10.35686557      5.60885039    -11.13765295
  O     14.18012912      9.35518641    -12.22024393
  H     17.27027144     11.02848124    -18.46794196
  H     12.73080565      6.16376183    -14.55169613
  O     17.02082767      8.19217141    -15.21101901
  H     14.98890339     10.93972403    -19.26054124
  H     13.66830384      5.56680147    -15.62372740
  O     15.14991295      5.74459919    -10.72288002
  H     15.18064716     11.70212609    -17.93457974
  H     17.74007749      8.85753236    -18.15252307
  O     13.49326166      5.47046175    -17.49149800
  H     13.87545620      4.67538877    -11.68981950
  H     17.38017601      7.87792702    -17.02754735
  O     15.51404092      7.08164551    -13.17055488
  H     13.34438016      4.65820442    -13.13734476
  H     12.94750908      9.45320469    -13.52938962
  O     11.05252909      6.04931626    -11.61919566
  H     11.65881461     10.42262745    -17.43912440
  H     13.08909945      9.10328260    -15.03271437
  O     13.59007682      5.73651894    -14.67783053
  H     11.52509229      8.91468858    -17.78959985
  H     10.94576825      6.72221495    -13.36411648
  O     17.38686094      7.97468873    -17.98996588
  H     15.33502739      8.58312097    -15.80464328
  H     11.46773871      7.90597729    -14.22953689
  O     12.45644739      9.40363213    -14.36092626
  H     14.41051062      8.45846386    -17.03531394
  H     16.46257517     11.33926547    -15.69010365
  O     11.11516297      7.00417241    -14.27110919
  H     15.72927291      7.67680994    -18.51880508
  H     17.79528131     10.92866540    -16.31841153
  O     17.33443515     10.98678827    -15.47079046
  H     14.46096623      8.26161685    -19.23873712
  H     16.36759780     11.41746404    -13.67348664
  O     15.47295153     11.53298433    -13.33515949
  H     14.69031336      8.60364941    -12.55664351
  H     14.94855029     11.72070516    -14.12252456
          69
 Energy    -247.95347930848021     
  O     17.34833984      7.65219666    -16.37431126
  H     16.53061831      7.45604094    -15.88874284
  H     16.74443002     10.53896312    -17.85383550
  O     14.43778175     10.60443850    -11.66535954
  H     17.65935821      6.82217165    -16.72923845
  H     14.68279888     10.71469675    -17.22671240
  O     18.20363863     15.57461667    -13.84096738
  H     13.80620823     10.71819428    -12.38983923
  H     14.31327615     11.03628665    -18.69681683
  O     15.10320993      7.38893743    -14.80230303
  H     14.91980691     11.43847834    -11.58208468
  H     18.54786281     14.08501401    -12.66502047
  O     12.97276394      8.82157618    -10.18365536
  H     18.71807220     16.37670328    -13.87714657
  H     18.86823023     12.57898348    -12.76027819
  O     14.45553684      6.60090060    -11.22075085
  H     18.27260548     15.15648526    -14.71772533
  H     13.63935120     13.42569823    -15.33265209
  O     16.33922128     11.56130580    -14.37603420
  H     14.31846423      6.89754695    -14.53045098
  H     13.45429904     14.20012010    -14.04011013
  O     12.66219272     10.89142049    -13.81366873
  H     15.48953004      7.75451563    -13.99047218
  H     18.23649793      8.28268662    -14.74346816
  O     16.10387249      8.43134202    -12.45150656
  H     13.53205544      9.50202575    -10.59657522
  H     17.77191889      8.56088493    -13.29779011
  O     19.09699995     11.31265858    -14.10948499
  H     12.75314556      9.13866656     -9.31152329
  H     12.18785357      5.58470119    -13.78483469
  O     14.52529768      9.94702949    -15.65016447
  H     13.92004729      7.24403834    -10.73738560
  H     12.35428841      7.05920127    -13.34716087
  O     17.62006668     10.21800360    -17.61217512
  H     13.91430194      6.32082227    -11.96832700
  H     18.69964050     13.54776942    -16.48328809
  O     14.94522565     11.23112703    -18.00962130
  H     17.29615383     11.43268025    -14.35576692
  H     17.25283671     14.07973269    -16.43928203
  O     18.54661563     13.26404704    -12.15750492
  H     16.10006590     11.97383113    -13.53661019
  H     15.56992558     13.70503940    -12.46475910
  O     13.03299885     13.53210326    -14.58995408
  H     13.20301107     10.50836947    -14.51826295
  H     16.81202432     13.00526647    -11.85916802
  O     18.51808688      8.66334826    -13.90488114
  H     12.62339659     11.83958090    -13.99854120
  H     15.81910712     12.77086234    -15.56840120
  O     12.83938990      6.26374905    -13.63286153
  H     15.69220270      7.72142778    -11.93589269
  H     15.25716343     12.82290286    -17.00420661
  O     18.16803673     14.32091564    -16.25604154
  H     15.64515448      9.24448817    -12.20703159
  H     11.93116998      8.60050356    -11.78100167
  O     15.85036017     12.92668158    -11.96730804
  H     19.41323670     11.49548166    -15.00166548
  H     11.82414395      9.36176188    -13.11794198
  O     15.45131456     13.37398927    -16.23656666
  H     19.03333369     10.35038989    -14.00195492
  H     16.32569569     15.36665533    -13.70484499
  O     11.64558424      8.50963773    -12.69877870
  H     14.64340600      9.01228300    -15.44085857
  H     15.38938614     14.66551275    -14.68989005
  O     15.42178819     15.03618436    -13.79978481
  H     15.21121070     10.43958705    -15.17000380
  H     20.33577298     11.80005250    -17.38353114
  O     19.57006971     11.91616704    -16.82738769
  H     17.50107192      9.34452354    -17.21900330
  H     18.89051616     11.29707191    -17.14976760
          69
 Energy    -247.95324695158243     
  O     16.68083560      9.63529249    -11.88524131
  H     16.81644763     10.57872303    -11.73216856
  H     12.85223298      7.26823914     -7.63645183
  O     17.02734103     12.28631733    -11.15726952
  H     17.53850987      9.18703501    -11.87629933
  H     16.47712799      4.81713138    -12.45962408
  O     12.86192076      5.52069398     -8.39929412
  H     17.20774241     13.10282808    -11.61477024
  H     17.29378184      3.55651526    -12.82593742
  O     14.69537789      8.24223241    -13.13409732
  H     17.78755256     12.11559814    -10.57035612
  H     15.53924154      6.93984250     -9.32095203
  O     18.95339171      8.11108337    -11.63308558
  H     12.56706738      5.69011678     -9.31189577
  H     14.68160517      5.72620153     -8.86510918
  O     20.61430697      9.34873732     -9.70927530
  H     12.34204392      4.79132314     -8.07292284
  H     18.04249902      5.90316792    -13.63065239
  O     18.13148216      5.83086655    -10.16816176
  H     15.02242229      8.03220337    -14.02093436
  H     18.62158616      7.29426653    -13.33325071
  O     12.30026911      6.07144850    -11.00068780
  H     15.38015952      8.78334839    -12.71292148
  H     17.29656303     12.27781841     -6.38546494
  O     15.30206045     12.03880400     -8.84056530
  H     18.66115573      7.35397170    -11.10531553
  H     16.56530175     11.79918979     -7.66200859
  O     12.43092482      8.84324838    -11.71912317
  H     19.60915864      8.57802325    -11.10186603
  H     16.85080610      7.29918188    -14.99162046
  O     13.37882284     10.01299940     -9.27864075
  H     21.56453792      9.33361278     -9.63141122
  H     16.20189572      7.61107371    -16.35147309
  O     12.97534938      8.17380088     -7.33019855
  H     20.27095992      8.66276574     -9.10787232
  H     14.94290182      9.12368859     -9.33120813
  O     17.37978317      4.46861874    -12.56088895
  H     17.25354935      5.81829885     -9.75950980
  H     16.15596967      8.99808716    -10.28673308
  O     15.49292357      5.97017157     -9.32428554
  H     18.06473750      5.24852743    -10.93444644
  H     18.57472469     11.65032759     -8.55903925
  O     18.25178429      6.75180564    -14.04042346
  H     13.06569220      5.76570542    -11.50252013
  H     19.56990454     10.89998164     -9.48816389
  O     17.34753372     11.64869926     -7.09982541
  H     12.21910276      7.01278294    -11.19841783
  H     15.95959044      8.23599108     -6.07971411
  O     16.01864950      7.56794674    -15.41737945
  H     14.55488242     11.44264252     -8.98252412
  H     15.46689835      7.44373080     -4.86181282
  O     15.78287153      8.66385807     -9.46220510
  H     15.72831032     12.16378578     -9.69651272
  H     15.11910236      5.76900557    -11.09708336
  O     18.99479541     11.67212412     -9.42807236
  H     13.20914547      8.66559526    -12.27531955
  H     14.90337367      6.53720780    -12.43996398
  O     15.16192968      7.95959399     -5.60415608
  H     11.77805282      9.24836513    -12.28552433
  H     18.74319692      7.85243156     -7.73387372
  O     14.95166491      5.65542703    -12.04505821
  H     13.11318918      9.43027333     -8.54700279
  H     19.09032290      6.74481037     -8.76370605
  O     19.47673244      7.42414786     -8.19766090
  H     12.97216603      9.67667255    -10.08552179
  H     17.39027778      9.80438881     -7.01822153
  O     17.29252311      8.85699085     -7.17776865
  H     13.67882993      8.13442969     -6.66672890
  H     16.78623679      8.78084086     -8.00162929
          69
 Energy    -247.95322969351332     
  O     16.57355082     10.33112143    -17.19394006
  H     17.37935955     10.83373038    -17.01808244
  H     20.17548361      8.69450509    -16.01464141
  O     15.62524168      5.87156074    -12.52311398
  H     15.82594057     10.81923160    -16.82540099
  H     16.76557946      9.08451824    -15.83690218
  O     18.90970355     13.33377278    -11.58384699
  H     15.83981784      5.82895338    -13.47041263
  H     16.56382392      7.68695873    -15.15578949
  O     14.47840542      6.62319583    -17.35258499
  H     15.52988032      4.96767237    -12.23178816
  H     13.74207321     12.13295103    -16.10163466
  O     16.74626850     10.28111383     -9.38618902
  H     19.39464608     14.12641503    -11.79890942
  H     14.84047921     11.87792387    -15.04911366
  O     15.40857079      9.68820854    -12.99651676
  H     18.84494973     12.81307827    -12.40156568
  H     16.23144196      8.78679444    -11.77725667
  O     18.51865978     11.64547480    -13.75226267
  H     13.76083000      6.16724290    -17.78409413
  H     16.47151539      7.29837984    -11.49970748
  O     19.53616537      7.95229806    -14.46960610
  H     14.08532604      7.37943287    -16.87858434
  H     13.37332231      8.31814407    -15.01327852
  O     13.47372435      7.73145658    -13.29551304
  H     16.73091972      9.47166397     -9.92121265
  H     13.73864464      9.58885544    -15.82402814
  O     18.76787283      5.68746804    -15.98970698
  H     16.33139457     10.06239975     -8.55468309
  H     18.58809913     10.82988802     -9.61723039
  O     16.16348688      5.89174139    -15.22233649
  H     15.45456304     10.64416374    -13.08930305
  H     19.38252505     11.90329068    -10.38327255
  O     20.24084265      9.10818091    -16.88749686
  H     15.91855289      9.30948688    -13.73094605
  H     18.36416219      8.87626373    -11.85764118
  O     16.88881156      8.58684371    -15.01943658
  H     18.78129045     11.56144568    -14.67647034
  H     19.41809299      9.90531033    -11.38428787
  O     14.41558900     11.50878599    -15.84053601
  H     18.70411231     10.80957725    -13.30100352
  H     17.09323059     13.04066865    -11.01349923
  O     16.73597284      8.17838453    -11.21074546
  H     18.62069073      8.17706016    -14.70044972
  H     16.27552582     11.89971348    -10.38769417
  O     13.48230858      8.66683027    -15.91144299
  H     19.66974915      8.35352925    -13.60295685
  H     19.43868685      6.66350471    -19.32737109
  O     19.46584914     11.03838596     -9.96254461
  H     14.00397306      8.51255013    -13.07832436
  H     18.25178282      7.33381347    -18.59450093
  O     19.12365177      9.39551662    -12.15182422
  H     14.00889334      6.99026338    -12.99388797
  H     15.76108692     12.61790667    -12.67548364
  O     16.19399433     12.70024878    -10.91929799
  H     18.94862589      6.03350116    -16.87277929
  H     16.74259801     12.14770948    -13.76595582
  O     19.16706696      7.01829106    -18.48530386
  H     19.19809425      6.30005692    -15.37836834
  H     19.53257479     10.64233300    -16.68792031
  O     15.81290509     12.37002007    -13.61109040
  H     15.57568909      5.98117861    -15.98227278
  H     19.53113512     12.15928069    -16.99750573
  O     19.06307211     11.48069725    -16.51828962
  H     17.05914212      5.69080350    -15.53892542
  H     15.88729483      7.45464784    -18.29060765
  O     16.63738841      7.94587817    -18.64619846
  H     19.95579381      8.43564972    -17.51765712
  H     16.57578547      8.83710641    -18.27648210
          69
 Energy    -247.95313958093703     
  O     17.68659407      9.79027080    -10.64449963
  H     18.40593108      9.14400021    -10.70955282
  H     13.38759608      9.54431685     -9.92183822
  O     13.91628578      5.64968724     -7.73567765
  H     17.92041092     10.44101745     -9.97067591
  H     13.90055896      9.60323011     -7.26326395
  O     18.23557663     11.50026570     -8.49898205
  H     13.12644986      5.97776206     -8.18186746
  H     14.54863298      8.80834409     -6.10481734
  O     11.87036117      6.83503650     -9.31578443
  H     14.54192897      5.46535748     -8.44909002
  H     18.07315403      4.98501990    -12.08678405
  O     15.90505575      9.21878579    -12.67012104
  H     18.61759414     12.37296923     -8.54777274
  H     17.95782032      4.10492924    -13.35144359
  O     19.54755369      7.76113916    -10.82142395
  H     17.50997666     11.54852024     -7.85083418
  H     15.41690063      5.85517462    -10.86190178
  O     21.26287659      7.85009869     -8.60625177
  H     10.92821876      6.68853850     -9.30499609
  H     15.80024887      6.61023596     -9.57659100
  O     18.32359462      5.24813748    -10.34550897
  H     12.14608717      6.81142999    -10.24961283
  H     18.76044808      6.55962830    -13.55670721
  O     12.70979666      7.08065386    -11.88786131
  H     16.36909262      9.27477619    -13.51864288
  H     19.45296756      7.64273307    -12.71837168
  O     16.29871378     11.60686598     -6.61808411
  H     16.53653594      9.48479813    -11.98693707
  H     17.81986762      9.41302120    -15.73674161
  O     13.41497342      9.86094950    -11.77950179
  H     20.23904687      7.82702549    -10.15070305
  H     18.14613732      8.57254591    -14.48848943
  O     13.41406011      9.18389689     -9.02657256
  H     19.09209524      6.92312846    -10.66073243
  H     15.17368506      8.62612442     -8.96573966
  O     14.36203145      9.70079695     -6.42031558
  H     20.71692739      8.43464310     -8.04856655
  H     16.58992083      8.82550750     -9.60515787
  O     17.81142938      4.98887560    -13.02385179
  H     22.16953891      7.98582298     -8.34672644
  H     18.84403570      8.75400749     -6.87760074
  O     15.64709194      5.72054421     -9.93397654
  H     17.37894038      5.31733835    -10.14378998
  H     19.14831680     10.10990621     -7.55781295
  O     19.17160098      7.43060340    -13.61731832
  H     18.78291164      5.24381248     -9.49299127
  H     14.58006063      6.48619920     -6.34915454
  O     17.48356666      9.16849330    -14.87968101
  H     12.82214653      8.03786023    -11.94666158
  H     14.66605649      6.57910483     -4.81004709
  O     16.06449144      8.25936867     -9.02633857
  H     13.52418677      6.70535653    -12.24599672
  H     16.13444071      5.92565879    -12.92011792
  O     19.56262146      9.34371155     -7.14589492
  H     16.23994352     12.10299533     -5.80562201
  H     15.60491601      7.36130825    -12.66275322
  O     14.95705131      7.00158333     -5.61380685
  H     15.61810445     10.91653353     -6.55079326
  H     20.17731972      6.32208883     -8.06047857
  O     15.36260143      6.42521145    -12.62918206
  H     14.30346721      9.68361966    -12.13470139
  H     18.77113575      6.22050157     -7.44107605
  O     19.44810210      5.71011841     -7.90623349
  H     13.07110749     10.60799770    -12.26244639
  H     17.04109781      7.78653895     -7.60445564
  O     17.48999070      7.47501678     -6.80373216
  H     12.84167103      8.40510014     -9.03030077
  H     16.77362431      7.25766337     -6.19778581
          69
 Energy    -247.95303942766975     
  O      6.63740252     -0.99907552     -3.11886046
  H      6.59424977     -0.47135545     -3.92635956
  H     11.17782709     -2.24503648     -0.85178184
  O      7.86693755     -1.55215735      0.73421736
  H      7.27168634     -0.55569359     -2.53435124
  H     11.19460365     -3.01603745     -7.37021755
  O      8.44767052      0.26286144     -1.39957492
  H      7.24636003     -2.06421475      0.18484280
  H     10.02344338     -3.98463938     -7.14412827
  O      8.54947582     -0.97885477     -7.19526565
  H      7.43354278     -1.39419279      1.56873177
  H      9.06654156     -5.34379330     -2.29518313
  O     11.47278945      2.08812320     -3.98084584
  H      8.24691580     -0.24185337     -0.60313743
  H      8.35049360     -4.10892859     -2.88326257
  O      6.35957832     -2.94977741     -1.04496863
  H      9.37766947      0.52716747     -1.31964292
  H      7.54032641     -2.33223223     -3.91185506
  O      6.97468899      0.46379963     -5.51800947
  H      9.49540489     -0.92478632     -7.37509209
  H      9.04565185     -2.53330353     -4.18892528
  O     10.58755021     -6.29783188     -2.86798941
  H      8.33800817     -1.92051321     -7.20398801
  H     11.52942294     -4.36341458     -5.48240743
  O      8.14595585     -3.77937058     -6.86143694
  H     10.50005733      2.02398965     -3.96874299
  H     11.27152486     -3.51553074     -4.22947672
  O     10.61820722     -1.86089389     -3.86523117
  H     11.68464771      3.01742183     -4.01268968
  H     11.44823094     -4.57588496     -0.27784102
  O      9.93990427     -3.30922557     -0.10099232
  H      6.24963988     -2.34005650     -1.78661130
  H     11.61954359     -5.66458946     -1.34457867
  O     11.79783902     -1.70784790     -1.36611522
  H      6.92572247     -3.66673067     -1.35849204
  H     11.86506445     -0.76209261     -8.36121827
  O     10.98774119     -3.93113093     -7.14420967
  H      7.55039688     -0.04007741     -6.11984453
  H     11.78295490     -0.75466925     -6.81862492
  O      8.44711544     -4.63691457     -2.07710665
  H      6.34677221      0.92754654     -6.06616850
  H     12.13316552      0.63999675     -4.84372839
  O      8.17957129     -2.96388697     -4.26660500
  H     10.96018949     -5.66895093     -3.50977094
  H     13.15031912     -0.55821279     -4.80321946
  O     11.63238389     -4.36516057     -4.52061294
  H     10.70209192     -7.16958734     -3.23774599
  H     11.49984742      0.08092969     -1.27688654
  O     12.11173480     -5.12448208     -0.71361978
  H      7.41946328     -4.36869425     -7.04572681
  H     11.38699544      1.35063258     -2.15557810
  O     11.37012714     -1.11034624     -7.62354163
  H      8.10511176     -3.56826617     -5.91199851
  H     13.02894052     -3.95320893     -3.34338742
  O     12.37204568     -0.20129308     -5.25633929
  H     10.90775563     -1.72805440     -2.95300639
  H     13.22359297     -4.18562514     -1.83539122
  O     11.10184645      0.96266443     -1.32166596
  H     11.14093511     -1.26239638     -4.41194675
  H     15.33966755     -1.10280614     -3.57828652
  O     13.51914619     -3.63209200     -2.57346963
  H      9.41939346     -3.76930036     -0.77531342
  H     14.25200580     -2.16970852     -3.40155737
  O     14.46784080     -1.35242734     -3.87582178
  H      9.32803248     -2.71068848      0.34363409
  H      8.18882801      1.41720864     -4.43490580
  O      8.79155087      1.81225847     -3.79429429
  H     12.48301601     -2.29892151     -1.69894055
  H      8.58797326      1.40005619     -2.94528412
          69
 Energy    -247.95299115126227     
  O     12.65486531      8.33949054    -15.05649335
  H     12.30344238      8.96819791    -14.41560867
  H     11.70401897      4.00989602    -10.27821102
  O     10.05098259      7.83864570     -9.05056897
  H     13.61439469      8.36191013    -14.94845159
  H     12.33926639      5.76451709     -8.51166648
  O     16.43682830      5.19309224    -11.09846245
  H     10.13518940      7.84170550    -10.01575373
  H     11.54469088      7.06775906     -8.28714915
  O     12.88410746      2.44187185    -12.71386994
  H      9.11521905      7.88430595     -8.86980587
  H     12.62407369      5.04799263    -14.65344868
  O     14.82142086      7.60797142     -7.61157001
  H     17.39299426      5.18353527    -11.23706438
  H     13.13938782      3.87537673    -13.73121770
  O     18.10542784      9.05459174    -13.93538136
  H     16.22119296      6.04208854    -10.68477039
  H     13.02795622      5.78806922    -12.56147181
  O     11.87962161     10.00381673    -12.82958547
  H     13.54985370      2.54125884    -12.02182308
  H     12.78523442      5.71920336    -11.02060121
  O     15.88991577      5.63388525    -13.83549938
  H     12.02994797      2.62269175    -12.30000552
  H     19.99144275      5.05099316    -11.67889951
  O     10.46552336      3.35509771    -11.50533331
  H     13.91868769      7.26247230     -7.72468481
  H     19.03979079      5.70094384    -12.71218794
  O     18.40649231      8.25815876    -11.35466783
  H     14.88931239      7.87104179     -6.69835181
  H     13.70354750      7.88452838    -11.77609273
  O     14.76554187      3.06094114    -10.59692914
  H     18.21408886      8.84549640    -12.98972192
  H     14.64170214      8.69491609    -12.70789906
  O     12.43431312      4.40872613     -9.78641786
  H     18.66910102      9.80148404    -14.11728380
  H     15.63905772      7.71031735     -9.15886095
  O     12.33671683      6.58901273     -8.00964966
  H     11.84385144     10.94563793    -12.68453379
  H     15.35445747      8.20457341    -10.60909797
  O     13.33724675      4.75975068    -14.07288908
  H     12.69225066      9.68486155    -12.40005734
  H     18.52201710      7.18853812    -14.35393430
  O     12.88225755      6.32062283    -11.76911709
  H     15.02858298      5.24706648    -14.04692293
  H     17.65660133      5.91746639    -14.33858405
  O     19.15477752      5.49902893    -11.76590705
  H     16.03466354      5.48751431    -12.89155342
  H     11.31208477      7.20900132    -11.79076225
  O     14.13655452      8.74744931    -11.88349973
  H      9.67448873      2.85861690    -11.31247526
  H     10.77710209      8.60056559    -12.18076256
  O     15.99003868      7.72653102    -10.06161546
  H     10.20275824      4.07203392    -12.10920999
  H     15.55155767      7.36796372    -14.18264385
  O     18.57447166      6.22573682    -14.32048580
  H     18.79448545      7.37575262    -11.37524982
  H     16.29673571      8.71328787    -14.29135811
  O     10.50813857      7.75230629    -11.80949215
  H     17.60870347      8.17782537    -10.81328263
  H     11.75654998      6.87594337    -15.37183062
  O     15.41571718      8.31975904    -14.30557306
  H     15.27168741      2.41150676    -10.11431379
  H     11.03877164      5.99416865    -16.42024974
  O     11.29851690      6.02603699    -15.50337953
  H     15.36812544      3.80199300    -10.77593379
  H      9.81814796      6.25544397    -12.69704271
  O      9.77650674      5.40711659    -13.15837940
  H     13.22305732      3.87580609     -9.95072863
  H     10.20151164      5.56147888    -14.01054867
          69
 Energy    -247.95276086077513     
  O     16.51573618     10.12747842    -15.22106719
  H     17.35443428      9.64449687    -15.26785494
  H     14.36760139     10.80410074    -12.74185582
  O     15.19591505      7.78538234     -8.82708587
  H     16.65366463     11.03164954    -15.52476447
  H     13.18347789     11.30561675    -11.15748512
  O     16.80857870     12.84387742    -15.79866316
  H     15.37942949      8.73995445     -8.75728013
  H     12.53338809     11.92875594     -9.90346867
  O     12.65988016      8.39901933    -10.02826502
  H     15.48280914      7.38624061     -8.01075324
  H     16.14168281      5.07816577    -14.40810586
  O     14.83499810      8.11882645    -16.01142102
  H     16.20441315     13.10110712    -15.07791015
  H     17.09224187      3.86412742    -14.53377877
  O     18.74801340      8.54895613    -15.11791998
  H     16.61470622     13.40836032    -16.54148895
  H     14.85860005      7.28243635    -11.92303671
  O     20.52733316     10.38654990    -13.95765204
  H     12.72086136      9.36158862    -10.03627260
  H     15.63879526      7.49287909    -10.59481619
  O     18.08059228      6.93725805    -12.93902423
  H     13.41462509      8.09795128     -9.50676453
  H     17.80099645      7.34810772    -16.34603242
  O     13.11030034      7.26887488    -12.49113506
  H     15.33069552      8.90640008    -15.74066160
  H     17.18560763      5.97168317    -16.07675976
  O     15.27503797     13.38518201    -13.63868357
  H     15.50584246      7.56302691    -16.43444824
  H     17.55196951     12.57186260    -11.28156863
  O     12.62943539      9.10756054    -14.65637533
  H     19.45918566      9.13514932    -14.83127337
  H     17.63328578     14.10315863    -11.08663848
  O     13.51145630     11.23166220    -12.91885833
  H     18.52454731      7.99415641    -14.35487963
  H     15.83182880      9.08731898    -12.25339689
  O     13.13363785     11.24421218    -10.18990917
  H     21.43284920     10.63552382    -14.12277671
  H     16.16337320     10.01082331    -13.49093220
  O     17.07525582      4.81691078    -14.50908747
  H     20.00499948     11.20810506    -13.96402297
  H     18.55431219     12.95614319    -13.19887792
  O     15.73719774      7.44935766    -11.55460675
  H     17.28038886      7.09215623    -12.41643151
  H     18.36115683     12.74983211    -14.70734641
  O     17.13884222      6.72723426    -16.67540702
  H     17.90295960      6.12750446    -13.43453268
  H     18.39566527     10.31413493    -10.86804837
  O     17.42413828     13.42722494    -11.72648115
  H     12.82133699      7.61939757    -11.63498003
  H     16.98809568     10.63905368    -11.39109230
  O     15.87609044     10.00055294    -12.56714870
  H     12.87140715      7.92113906    -13.15992871
  H     19.14386171      8.26989101    -11.94513934
  O     18.99618274     12.62879291    -13.99115264
  H     15.90513928     13.41830102    -12.90714570
  H     19.95490332      9.51270498    -12.34839252
  O     17.64666447     10.91027283    -10.73067508
  H     14.58577962     12.75546878    -13.39578582
  H     14.80739023     10.83141475     -9.31382246
  O     19.52411128      9.08530010    -11.59744166
  H     13.35089757      8.75994616    -15.20658758
  H     16.35157830     10.67819945     -9.41655997
  O     15.58136763     10.45641021     -8.87603377
  H     11.83043106      9.00620561    -15.16944545
  H     14.61485235      6.55409097    -14.96551989
  O     14.53762437      5.77783631    -14.39511897
  H     13.06906584     10.65293135    -13.54886785
  H     13.94448402      6.04846220    -13.68451974
          69
 Energy    -247.95263768049071     
  O     16.38068648     11.16542166     -9.43552851
  H     16.83817240     11.57807510     -8.70823801
  H     14.02911259      7.94667047    -13.83348851
  O     11.91282671      6.74265204    -11.69788002
  H     16.81820726     10.30955198     -9.59576363
  H     15.12742809      5.33583286    -15.85460395
  O     17.43781814      9.37348947    -15.15704731
  H     12.35036447      5.96738036    -12.06662875
  H     14.20296602      6.19464480    -14.94728091
  O     17.60569518      8.14156179    -12.65071692
  H     12.46812672      7.02418944    -10.95580438
  H     16.31354951      5.48008759    -14.03304631
  O     17.20569255     12.06880636    -14.35888810
  H     16.58671975      9.27929348    -15.60541852
  H     17.76713783      5.84453193    -14.35923825
  O     13.79091561      7.67951135     -9.90461420
  H     17.50403245     10.30859141    -14.92326261
  H     14.56393231      8.09825835    -11.53644317
  O     14.89923168      9.29838436    -16.41436809
  H     17.64519298      8.62819402    -13.48522660
  H     15.83987057      8.37402608    -12.40375071
  O     14.45933407     11.69572358    -15.18414708
  H     17.53393131      7.20671852    -12.88804174
  H     14.55638321     10.72569862     -9.49691777
  O     16.12890738      5.56828824    -17.41124284
  H     16.81960753     12.11452969    -13.46537566
  H     13.41623184     10.68509955    -10.53450676
  O     11.29551848      8.91881437    -13.20011564
  H     17.73245265     12.85584412    -14.47021499
  H     13.85729346      4.69370422    -13.54222078
  O     15.90774192      4.92545441    -11.21961921
  H     14.54459806      7.29622505     -9.44184435
  H     13.09191773      3.60966871    -12.75531543
  O     13.47179015      7.78161342    -14.61244352
  H     13.71550735      8.61426991     -9.65911752
  H     14.05428878     10.01828752    -12.51327354
  O     14.69104353      5.35821049    -14.99390550
  H     14.35768514      8.72338031    -15.85649624
  H     12.58026685     10.33395430    -12.78862951
  O     17.19017778      5.56071095    -13.63440710
  H     14.70600690     10.20355979    -16.13076150
  H     16.10670932      5.86109523     -9.78473577
  O     14.87839292      8.44285640    -12.38179631
  H     15.36090526     11.95564738    -14.95579394
  H     16.38093313      5.90401582     -8.26220300
  O     13.65600254     10.40567370     -9.64493573
  H     14.02522109     11.47613634    -14.35187398
  H     18.15698273      7.64593341    -15.74224565
  O     13.45660371      4.48913467    -12.68164932
  H     15.85799419      6.34899386    -17.92478835
  H     17.65065096      6.38461495    -16.47937538
  O     13.42396439     10.75494803    -12.58399821
  H     16.36444991      4.89222507    -18.04205393
  H     17.12305699      7.97771046     -9.56187791
  O     16.16000962      6.45144161     -9.01071072
  H     10.35033047      8.99588943    -13.29757442
  H     17.70256741      8.58382491    -10.86078367
  O     18.32353289      6.70296612    -15.86575361
  H     11.45435955      8.14683033    -12.62551369
  H     15.48405668      8.41421024    -19.44447506
  O     17.51484359      8.77769338     -9.93241539
  H     15.03572207      4.75205964    -11.59243351
  H     15.21380404      8.45415771    -17.92901997
  O     15.41703907      7.86045739    -18.67155375
  H     16.49825741      5.04489846    -11.97494561
  H     16.11929270     11.87018554    -11.12361619
  O     15.87879294     12.15452216    -12.01447819
  H     12.60187066      8.11665772    -14.37103254
  H     14.96792950     11.87063502    -12.15072249
          69
 Energy    -247.95255708706628     
  O     -5.70070406      1.98750074     -0.94482633
  H     -6.13495352      2.25572830     -0.12488770
  H      0.04924054      3.82711680      0.34031692
  O     -2.88843130      0.43666240     -3.92579139
  H     -4.94031595      2.57941644     -1.04996571
  H     -3.23362755      4.33866817     -0.62131805
  O     -6.55854678      2.77884405      1.58846464
  H     -2.90698711     -0.48383499     -4.21108453
  H     -3.04808280      2.81477579     -0.48686454
  O     -1.60134416     -1.63518563      2.86183208
  H     -3.81129631      0.67858927     -3.77001313
  H      0.29982500     -0.59488188     -1.24004288
  O     -2.56614432     -1.12198775      0.30940145
  H     -7.33603120      3.19108875      1.95567916
  H      1.83071095     -0.72460335     -1.07749727
  O     -2.83553003     -2.43844291     -3.85099556
  H     -5.79766240      3.31881399      1.86930082
  H      0.63769372      1.55723507     -0.84940435
  O     -5.23037779     -0.70473042     -0.13195739
  H     -1.50714829     -2.41954549      3.39447510
  H     -0.30395725      2.50797334     -1.65959949
  O     -1.26796652     -0.99746891     -2.03948420
  H     -2.27559571     -1.07824241      3.29615971
  H     -5.58868302     -0.96491868     -3.04710413
  O      0.50591886      0.15923783      2.10638215
  H     -3.53126511     -1.06137931      0.25684736
  H     -4.59955694     -2.14499898     -3.06137419
  O     -3.45698777     -0.02478265      3.88589837
  H     -2.30488034     -1.41436667      1.19096744
  H     -2.38344905      2.18186294      2.23429266
  O      0.40430873      2.64299599      3.25004107
  H     -2.45349414     -3.19050086     -4.29670453
  H     -1.48009130      2.60977044      3.40092808
  O     -0.19849785      4.41407495      1.06844782
  H     -2.19388975     -2.15672692     -3.17986128
  H     -5.74378408     -0.32528842      1.65388175
  O     -3.42481519      3.50200976     -1.06182390
  H     -5.35014077      0.22119982     -0.38123521
  H     -6.13689995      1.01701417      2.28795204
  O      1.06042359     -0.29028012     -0.71885633
  H     -5.36913441     -1.22752211     -0.93463420
  H     -2.31251113      0.68802209      0.46296622
  O      0.16974682      2.39816692     -0.81953236
  H     -1.71684765     -0.29798759     -2.53113355
  H     -1.32298304      1.85705273      0.15816433
  O     -5.40950578     -1.82567507     -2.64730057
  H     -1.74767654     -1.11296545     -1.20149722
  H     -1.73301270      5.21284319      0.79968477
  O     -2.40200311      2.45939602      3.16397345
  H      0.72139185     -0.05155606      1.19146749
  H     -2.44914715      6.54697492      0.49472227
  O     -5.85349999      0.12093256      2.50324446
  H     -0.16784242     -0.47371828      2.38498568
  H     -5.75452783      1.32762027     -2.59006904
  O     -2.19638922      1.64375039      0.51460711
  H     -4.33957254     -0.02515534      3.48826011
  H     -6.26107172      1.35190641     -4.04908861
  O     -2.59862134      5.61094372      0.59595728
  H     -3.12090325      0.87592303      3.78993605
  H     -3.75182686      3.64956865      2.79928847
  O     -5.63922121      0.92317334     -3.46623112
  H      0.48169876      1.76381800      2.83869175
  H     -3.86952715      4.79152656      1.78232282
  O     -4.39468722      4.21617083      2.34989814
  H      1.08256127      2.69162080      3.91824796
  H     -1.91051036      1.98402005     -3.46703335
  O     -1.49911927      2.69762252     -2.96533223
  H      0.03612215      3.93219140      1.86992069
  H     -2.21000101      3.08704088     -2.43703782
          69
 Energy    -247.95235140493261     
  O     12.86474249     12.05371545    -12.46064001
  H     13.52550919     11.93129377    -11.76404524
  H     19.67095856      7.10319268    -15.40361175
  O     19.77931290      6.74198902    -11.83199552
  H     13.00132243     11.35704945    -13.11739410
  H     19.06770077     13.57912937    -16.16000869
  O     18.32090346     10.98961055    -11.91069994
  H     19.15954530      6.24476194    -12.39689352
  H     17.88311629     12.59559716    -16.02077388
  O     11.70893301      9.28719808    -12.36586918
  H     20.30133931      6.09786960    -11.36068855
  H     13.69147286      9.50500620    -14.77572821
  O     15.78304612      7.14547218    -12.53070776
  H     18.21729492     11.77900447    -11.36790500
  H     12.34538766      9.69340168    -14.02989476
  O     13.49352376      7.58359101    -10.90980582
  H     17.53797860     10.97467235    -12.48808046
  H     15.70798285     10.20427930    -13.81244628
  O     17.95654171      5.60638072    -13.49090567
  H     12.29641688      8.71159241    -11.85832930
  H     15.64626530     11.76684603    -13.73214833
  O     14.66106002     13.33367882    -14.20220666
  H     11.76136410     10.15688556    -11.95929317
  H     13.17474412     12.11724414    -17.18103365
  O     17.67199522      9.12840797    -15.99797854
  H     16.43446095      7.62626782    -11.99866532
  H     13.40315601     11.27400988    -15.90561374
  O     17.71786762      8.45110682    -10.97059823
  H     14.95645793      7.15642249    -12.03336633
  H     15.20427548     10.03762536     -9.87272767
  O     16.65594615     11.64615393    -16.81547101
  H     13.10554471      6.94252246    -10.31896399
  H     16.19465010      8.85327402     -9.90068432
  O     18.99937415      6.66596042    -15.95971255
  H     14.09309181      8.13360001    -10.37319932
  H     20.39810219      8.94434711    -14.29111107
  O     18.61257026     13.02061621    -15.53448436
  H     18.15949204      5.88733833    -14.39132807
  H     20.46221286      7.69059157    -13.37832514
  O     12.92217885     10.08939215    -14.69715397
  H     17.10590362      5.99876489    -13.25372547
  H     16.26577946     14.06215092    -13.64667638
  O     15.99301112     10.97348944    -13.30640235
  H     14.35813899     13.03794532    -15.06954088
  H     17.73928083     13.82847367    -14.02820861
  O     13.80940819     11.93553970    -16.49259303
  H     13.95556229     13.12319650    -13.57496244
  H     17.70040883     14.10732368    -10.19377089
  O     15.30745158      9.11064046     -9.61863266
  H     18.27154907      9.60934431    -15.41000624
  H     17.32529791     13.73632379    -11.64843508
  O     20.64044679      8.00895221    -14.27169947
  H     18.07195601      8.26221116    -16.14461958
  H     19.34173875     11.44303036    -14.80368050
  O     17.17242293     14.17077313    -13.32713106
  H     18.47524096      7.87498952    -11.13192803
  H     19.22487013     10.71179542    -13.45326764
  O     17.38592736     13.39126224    -10.73844117
  H     17.98794939      9.34177316    -11.23431154
  H     15.37562039     11.29506528    -11.64169013
  O     19.48585979     10.58910797    -14.37708309
  H     15.69351722     11.68219752    -16.78973704
  H     15.76989677     12.32598455    -10.57785090
  O     15.10460594     11.65861024    -10.78385058
  H     16.91103971     10.72105012    -16.70280847
  H     16.08369459      8.76639653    -15.24999947
  O     15.27054545      8.69754785    -14.73173542
  H     19.46990533      6.14882301    -16.60799949
  H     15.43094468      8.07329594    -14.00976834
          69
 Energy    -247.95232157917428     
  O     15.34808376     11.21076763    -16.70972608
  H     14.59824838     10.73013269    -16.34227712
  H     18.61136035      7.84521112    -17.94181853
  O     14.77369549      4.88178083    -16.16121075
  H     15.95870064     11.37545761    -15.98136352
  H     15.90190997      7.67548746    -16.03197682
  O     17.87120728      7.92084135    -11.68227809
  H     14.54409588      5.70905585    -16.60672543
  H     16.51742355      8.36731178    -14.76257325
  O     17.92316548      6.36681200    -18.81563215
  H     14.54272396      5.03403913    -15.23627082
  H     13.19906284      9.22120053    -14.89500981
  O     13.32482532      8.21115000    -10.56385554
  H     18.69588430      7.85052330    -12.17730177
  H     12.22771966      9.93041269    -15.86446614
  O     14.31877556      5.75813427    -13.51975373
  H     17.29371282      8.50600116    -12.19906963
  H     16.19483145      4.78259816    -10.99457812
  O     16.20367052      9.38302022    -13.25834708
  H     17.69251713      5.61241080    -18.26107219
  H     16.11747241      3.88021407     -9.74223396
  O     18.31194932      5.68601937    -14.90296028
  H     17.09227526      6.72304650    -19.15297308
  H     14.71931461      7.62491203    -18.02050081
  O     13.10065644      5.34888940    -11.07758635
  H     14.23177647      8.02701875    -10.25996595
  H     13.89545197      8.21666520    -16.82143122
  O     19.36641609      9.97382892    -15.07805996
  H     12.89021101      8.68166039     -9.85739807
  H     20.86214551      7.26661141    -13.54932405
  O     17.25258795      4.18517896    -17.01658837
  H     15.23494285      5.67809390    -13.22380243
  H     19.48622128      6.83507606    -14.09697169
  O     18.61912884      8.61945080    -17.36232313
  H     13.76811448      5.49870882    -12.76681396
  H     17.22278118      6.28724505    -12.15491250
  O     16.70750347      7.79225387    -15.51234253
  H     15.25011315      9.23483410    -13.26008574
  H     17.42944499      5.30244477    -13.32246945
  O     13.12190672      9.60661599    -15.78316000
  H     16.41182727     10.24906639    -13.63293851
  H     16.61481360      7.73264325    -10.27130698
  O     15.73600857      4.65498271    -10.14713854
  H     18.15560868      5.04105093    -15.60199572
  H     15.82669320      6.52751171     -9.71997572
  O     14.43340521      7.47081148    -17.10938460
  H     17.72472184      6.43151200    -15.11530811
  H     17.48803081      9.71940169    -18.40506142
  O     19.94433407      7.52605603    -13.59118850
  H     13.02851456      6.27657668    -10.82228215
  H     16.20829437     10.55260465    -18.16656692
  O     16.93308928      5.43188174    -12.50465960
  H     13.89767101      5.01817927    -10.64328756
  H     13.83250739      7.51240621    -13.52772788
  O     15.82544254      7.49165582     -9.76998362
  H     19.28680132      9.60481229    -15.97038088
  H     13.37591909      8.46317720    -12.39740655
  O     16.70964507     10.08174754    -18.84801541
  H     19.60529916      9.22957803    -14.51551239
  H     18.03037770     11.05268004    -14.76345507
  O     13.58927242      8.43182496    -13.33904600
  H     17.24229991      3.29020811    -17.34502529
  H     17.52718623     12.46191205    -14.36903177
  O     17.23202440     11.57873028    -14.57380259
  H     16.34686574      4.38252790    -16.71561523
  H     15.94138359      8.67216214    -19.43617178
  O     15.52607249      7.81226658    -19.63788633
  H     17.94183608      8.42465968    -16.69620516
  H     15.23344609      7.85245500    -20.54381184
          69
 Energy    -247.95208547806402     
  O     16.70722883     10.11617976    -11.16277924
  H     17.39063492      9.43947159    -11.27283981
  H     12.74535698     12.78904068     -8.42646386
  O     14.37905964      5.85495205     -6.43851306
  H     15.91656979      9.82400829    -11.63684892
  H     14.67442606      9.52900075     -7.60872639
  O     17.58844404     12.60131876    -10.59114801
  H     14.89340926      6.57662627     -6.03463512
  H     13.75621124     10.69879651     -7.23667327
  O     12.33843169      7.67948150     -7.32035036
  H     14.37544100      5.13658476     -5.81206421
  H     14.96882943      5.99530878     -8.21602612
  O     14.46085746      9.15995601    -12.41006237
  H     17.24871908     11.72757953    -10.85533568
  H     15.48431865      7.24359527     -8.97045658
  O     18.62719393      8.14902783    -11.33852960
  H     17.62437015     13.13457326    -11.38050523
  H     19.11421769      7.51059065    -14.43105291
  O     20.03906426      8.86060379     -8.97900289
  H     12.83343618      8.48402209     -7.11054256
  H     18.60110830      8.15380015    -13.13709177
  O     17.19104834      5.88996696    -11.08047303
  H     12.89250557      6.95163187     -7.01738393
  H     18.12385345     12.21207250     -5.70121779
  O     11.39697806      8.04113296     -9.82165933
  H     14.16779124      8.33961532    -11.98536329
  H     17.32877529     12.07062880     -7.02241451
  O     16.18763656     12.73220324     -8.12762040
  H     14.82697450      8.90810030    -13.26713706
  H     16.73268299      8.18253319    -14.50762503
  O     12.80321285     10.44096395    -10.48600816
  H     19.16732451      8.31226209    -10.55833235
  H     15.66510282      8.26533170    -15.62257036
  O     13.43675050     12.13352826     -8.46510179
  H     18.15386591      7.30816593    -11.21165390
  H     16.69023908      8.95206713     -8.15591718
  O     14.06463293      9.84315163     -6.92111010
  H     19.95548718      9.83137072     -9.00202014
  H     16.16975429      9.44081482     -9.54494588
  O     15.25466536      6.30808010     -9.08118781
  H     20.96224192      8.66629584     -8.83651086
  H     19.03228052     11.96190720     -9.52884525
  O     18.45445269      8.11365168    -14.09560312
  H     16.60169516      5.88741218    -10.31573445
  H     19.21166827     11.69270552     -8.02519420
  O     18.06310488     11.69716125     -6.50091946
  H     16.62508540      5.73443951    -11.84983034
  H     16.59540153      8.23562039     -5.85910560
  O     15.77575110      8.17101558    -14.67999971
  H     10.45648490      7.88613527     -9.83221408
  H     15.14485167      8.75258231     -5.76533282
  O     15.92442987      8.95971735     -8.74674849
  H     11.69894386      7.87578344     -8.91000617
  H     14.10573263      6.56974469    -10.45621237
  O     19.61451389     11.53473797     -8.88862595
  H     15.24997554     12.54976073     -8.26068176
  H     12.71502713      7.14892857    -10.80596621
  O     15.72686384      8.03050895     -5.49142314
  H     16.58821827     12.79778529     -9.00356865
  H     18.06972963      9.87874210     -6.70885848
  O     13.53734039      6.82972030    -11.19625166
  H     12.26265893      9.67660102    -10.24984634
  H     18.76298298      8.76755840     -7.54617681
  O     18.03093043      8.93926663     -6.94178850
  H     13.34378109     10.15708509    -11.23274392
  H     14.56259524      5.98550419    -12.57404787
  O     15.30045291      5.73574096    -13.14677369
  H     13.22484951     11.55094265     -9.21646979
  H     15.42242108      6.47513279    -13.75250842
          69
 Energy    -247.95196334226824     
  O     19.26782266      8.88749834    -15.42006860
  H     19.69093580      8.06519944    -15.12853253
  H     20.14102417      5.62623650    -14.80358229
  O     21.81562049      6.80972009    -12.14169162
  H     18.92877902      9.29938083    -14.61800344
  H     18.00830084      3.09537926    -12.73486160
  O     16.12991031      9.62066705    -10.76698851
  H     21.30284488      7.56552903    -11.80513965
  H     19.42783773      3.61026618    -12.37177137
  O     14.39203105     10.72989904    -12.63479089
  H     22.73600124      7.03238845    -12.02911593
  H     16.07330304      8.87282794    -15.55579901
  O     17.15250218      8.03071692    -16.88221235
  H     15.52964615     10.17348433    -11.28684991
  H     16.50793771      9.34657586    -14.15635376
  O     12.05113684      8.99581593    -12.78280921
  H     15.68114783      8.76583424    -10.68362427
  H     18.60648738      6.42948450    -13.37315877
  O     18.31711063      6.21193749    -10.10916362
  H     13.52508452     10.30860057    -12.60851579
  H     17.08555127      6.11363836    -13.18460381
  O     14.61574045      7.28655087    -10.76197683
  H     14.78084622     10.44693230    -13.47175917
  H     14.51885465      6.49119262    -13.70633142
  O     20.33670723      4.55889067    -11.12626678
  H     17.19928736      8.32226984    -17.78943321
  H     14.65489182      8.01359147    -13.96982367
  O     15.89827346      4.84530860    -10.16236010
  H     17.95607026      8.35931271    -16.44048353
  H     17.53629989      9.26438035     -9.68096302
  O     16.19061749      3.03853710    -12.14554703
  H     12.69169275      8.33519179    -13.10028664
  H     18.27792678      9.29264868     -8.32779554
  O     20.17118483      6.49404532    -14.38057821
  H     11.36832758      9.05435480    -13.44633091
  H     19.33295193      3.67172048    -14.65275448
  O     18.89960121      3.21263234    -13.07989403
  H     18.33819218      7.07704448     -9.68763088
  H     20.04362341      3.33682583    -15.98846374
  O     15.73968429      9.25981256    -14.73701015
  H     18.14554190      6.36787360    -11.05156151
  H     19.62427385      9.20114919    -11.97354637
  O     17.82698376      6.62204550    -12.83513123
  H     14.48114391      7.25793358    -11.71896591
  H     19.78139314      8.93429204    -10.48375538
  O     14.10262277      7.34849373    -13.53539964
  H     13.77411440      7.56407314    -10.37255896
  H     16.09016849      5.06852843    -14.75473553
  O     18.31873183      8.93291993     -9.21059306
  H     20.95822629      5.23167393    -11.42620670
  H     15.77085453      4.33505064    -13.39557491
  O     19.59886345      4.03643574    -15.51903662
  H     19.68152475      5.04217062    -10.60445393
  H     17.15632029      6.13822502    -16.48196392
  O     20.26877562      8.91592459    -11.31609222
  H     16.77509274      5.20418240     -9.96939482
  H     17.95706850      4.85865630    -16.09375785
  O     15.65477104      5.15377886    -13.89189316
  H     15.34591066      5.62304643    -10.31346735
  H     11.73539982      8.96230476     -9.49287123
  O     17.06875561      5.21945347    -16.20108055
  H     16.06554317      3.63918801    -11.38807158
  H     11.97655030      8.60463551    -10.96882387
  O     12.14627909      8.31383159    -10.05975459
  H     15.76531954      2.21654784    -11.91734503
  H     17.34775339      9.59429265    -12.16982182
  O     17.89964940      9.32733237    -12.91625582
  H     20.84307608      6.49038688    -13.68698201
  H     17.87786042      8.35419127    -12.91680841
          69
 Energy    -247.95188166250668     
  O     13.66637442      8.97445262     -9.74808632
  H     13.17797200      9.22714405     -8.96935867
  H     13.47001515      6.10807205    -15.15473537
  O     15.84236718      5.29779731    -11.78863613
  H     14.39541022      9.61650627     -9.84268053
  H     16.35966965     10.59923089    -15.44471360
  O     15.37453865     12.05894226    -12.52956238
  H     15.52591257      4.76092860    -12.52754772
  H     15.98776144      9.11455798    -15.72055030
  O     17.55687012     11.50472443    -14.35023293
  H     16.80425567      5.20219047    -11.75228272
  H     14.85337048      8.21547431    -12.55766942
  O     11.01748499      7.90244053    -16.08814373
  H     16.12603668     12.03202414    -13.13227194
  H     15.81384564      7.02631965    -12.29354130
  O     18.02576515      7.26517376     -9.56840113
  H     14.62582051     11.72378730    -13.03896715
  H     14.73801754      7.35652543     -9.50311037
  O     12.19364187      6.51853107    -13.89722136
  H     17.81089051     10.79911337    -13.72946692
  H     15.32740997      6.06292268    -10.12252409
  O     13.50811728     10.67583156    -14.16312006
  H     18.34643337     12.00355843    -14.54200959
  H     18.77024280      6.00244218    -12.53078678
  O     13.65999830      9.74119898    -17.73406682
  H     11.28235350      7.41046268    -15.30110148
  H     19.36585271      4.82473342    -11.72522112
  O     14.97376253      3.90350822    -14.03094692
  H     11.56047144      7.55871383    -16.80861387
  H     18.29388601      9.70281323    -11.67847397
  O     16.39150559      7.40070286    -15.27679069
  H     18.31758299      6.64468552    -10.24429223
  H     17.21296028      8.99885093    -12.53719655
  O     14.11310633      5.84906781    -15.83090782
  H     17.10211265      7.04556823     -9.37485166
  H     18.78158968      7.98582889    -13.46268837
  O     15.67998872     10.02660960    -15.82089668
  H     12.47995313      7.25224978    -13.32674462
  H     18.16321033      7.08914821    -14.54457602
  O     15.76644369      7.92321220    -12.65306570
  H     11.92595481      5.80797706    -13.31924168
  H     18.28978537      8.94584075     -9.70065325
  O     15.33255018      6.61758169     -9.33096089
  H     14.25758630     10.41616641    -14.71857791
  H     19.01473603     10.22555395     -9.21484647
  O     18.64185849      5.44487988    -11.74346287
  H     12.75076014     10.76795525    -14.75407599
  H     12.87844859      6.93408401    -18.96940700
  O     18.04761174      9.49089297    -12.58742594
  H     14.43658039      9.91004034    -17.18287994
  H     13.28044560      8.06485516    -17.99293765
  O     18.86564938      7.11875902    -13.88296300
  H     12.92024985     10.16919646    -17.28657799
  H     16.58411180     10.50792877     -9.98785532
  O     18.40105590      9.90104052     -9.86719231
  H     15.08749699      3.04150738    -14.42427012
  H     15.58515969     11.24726549    -10.92270766
  O     12.98168953      7.13861958    -18.04409214
  H     14.71933798      4.49518729    -14.75501954
  H     11.21821136      9.64366203    -16.04768666
  O     15.65339308     10.71996026    -10.11316430
  H     16.18361445      7.58141518    -14.34578997
  H     10.66149289     11.07096921    -16.27073769
  O     11.45943245     10.58685596    -16.07687706
  H     15.69242394      6.81212786    -15.58554725
  H     13.15462187      9.41789216    -12.93178108
  O     13.06451475      8.60507836    -12.41307287
  H     13.77526116      6.18888317    -16.66893201
  H     13.15830062      8.80289752    -11.47140101
          69
 Energy    -247.95175508079450     
  O      4.78791898     -7.34401299     -0.48766714
  H      4.62931245     -6.71404329      0.22662157
  H      3.32006580     -6.09487834      2.17135117
  O      2.64342795     -7.34385414     -4.00344840
  H      4.04278661     -7.95787428     -0.44277423
  H      2.09943938     -4.41028561     -3.23096697
  O     -1.29651943     -7.97322464     -1.60141608
  H      3.46678002     -6.95654098     -3.68754181
  H      3.51885193     -4.69107691     -2.65829400
  O      1.57715816     -2.46830649     -0.49222323
  H      2.04265987     -6.60259185     -4.15843567
  H      0.16466071     -8.41117221      1.92969634
  O      4.87724175     -5.97376946     -2.83507449
  H     -0.47512994     -8.34680222     -1.95240859
  H      0.58056362     -9.74188999      2.60508553
  O     -0.60078796     -4.11630052     -0.33181715
  H     -2.01291626     -8.30194206     -2.15968494
  H     -1.50789595     -9.15525950     -4.52227260
  O      0.84013506     -5.20713448     -4.36273999
  H      2.05927509     -2.93076634     -1.19095072
  H     -0.00913003     -9.28161829     -4.18971957
  O      0.90298166     -4.48116504      3.32036993
  H      2.10210414     -2.55083672      0.31251675
  H     -2.41979691     -5.77864337     -4.05348948
  O      1.05450230     -9.07388311     -2.64557925
  H      5.76544610     -5.95200307     -3.18078077
  H     -2.11970942     -6.35298631     -5.44738290
  O     -1.52085884     -4.88622292      2.18704327
  H      4.91023388     -6.48544406     -2.00776296
  H      1.94868482     -7.66340486     -0.35926772
  O     -1.30605991     -5.37587190     -2.62224344
  H      0.07232033     -3.41888936     -0.32381611
  H      1.87326272     -8.81328484      0.66973689
  O      3.60554262     -5.58820620      1.40045167
  H     -0.97599875     -4.21570405      0.54967983
  H     -3.14061896     -7.81984840     -4.05393199
  O      2.69142897     -4.22197966     -2.48875874
  H      0.11052638     -5.21337972     -3.72499563
  H     -4.02332250     -9.04378323     -3.70964415
  O      0.91331492     -8.89071375      2.33393506
  H      0.48499207     -5.62383944     -5.15801203
  H      2.02094159     -5.40657263     -1.24818449
  O     -0.62838991     -9.14441520     -4.91861156
  H      1.53192767     -3.86695470      2.92302285
  H      0.77907374     -5.43014318     -0.34258495
  O     -2.82156309     -6.26000070     -4.79153280
  H      1.39094774     -5.29612784      3.48835388
  H     -0.43550293     -7.66059154     -5.85631551
  O      2.24564745     -8.57165427     -0.18417864
  H      1.48583086     -9.15568852     -1.78646409
  H     -0.26128077     -6.98084518     -7.23245594
  O     -3.14714701     -8.68435903     -3.60414665
  H      1.63928847     -8.50031181     -3.16811306
  H      1.88458366     -7.64285622      3.17073757
  O      1.61267629     -5.88373053     -0.51290873
  H     -2.21653712     -4.56294806      2.75305648
  H      2.78069919     -7.27689622      4.37547322
  O     -0.43655039     -6.80015462     -6.31292898
  H     -0.67973570     -4.72201199      2.64970419
  H      3.34283377     -3.86083750      1.75978491
  O      2.40576483     -6.92769622      3.57044611
  H     -1.28012928     -6.27722252     -2.27173903
  H      3.68841178     -2.46224721      2.32383034
  O      2.97298125     -2.98763974      1.97385847
  H     -1.16581412     -4.79301812     -1.86362002
  H     -1.22556236     -7.64349107      0.22312140
  O     -1.06968726     -7.54518507      1.17218766
  H      2.89547229     -5.66992653      0.74324167
  H     -1.33176823     -6.65596518      1.43390033
          69
 Energy    -247.95171172915954     
  O     11.25862819     10.77970827     -9.91738670
  H     10.61806047     10.77248534     -9.21114405
  H     11.35521608     11.30805836    -16.79931420
  O     14.84765173     10.47681083    -12.69577546
  H     12.12983550     10.91666872     -9.50414398
  H     15.59580382     13.94370449    -14.66158645
  O     16.99650444     12.77383623    -15.16448820
  H     14.80096176      9.74327967    -12.06929543
  H     14.17132764     14.49396071    -14.95837285
  O     15.79813004      7.41234816    -13.72000814
  H     14.57164510     10.10736617    -13.54472956
  H     16.03705808     10.31743283    -16.90718591
  O     11.46369775     12.17929420    -12.35131337
  H     17.81165849     13.09190876    -15.54617399
  H     15.86048082     11.66574987    -16.18423608
  O     12.69449756     14.54644798    -16.10124732
  H     17.24322859     12.20408562    -14.41788554
  H     14.90852349     13.26371099    -10.59614313
  O     15.83306566      9.21905666     -8.93028100
  H     15.15415053      7.87785495    -14.27226090
  H     15.49723835     14.15595274     -9.47708260
  O     14.08293651     13.02485426    -12.10203368
  H     15.46689823      7.49452695    -12.81509913
  H     17.68047639      8.87348606    -16.06633690
  O     14.04719062      9.17762021    -15.00681185
  H     11.25863244     11.75903891    -11.50721055
  H     17.27327619      8.20244818    -17.38361291
  O     18.17282504      8.50410771    -14.30371145
  H     12.34200859     12.57316926    -12.24841612
  H     16.72790799     11.93289764    -10.08258792
  O     13.71993634     11.12727060     -8.83199568
  H     12.39100146     15.35515275    -16.50577421
  H     17.51022403     11.14607409    -11.16261355
  O     10.51975794     11.01416567    -16.39180171
  H     11.94802254     14.19853015    -15.58048399
  H     11.57357594     10.70124835    -13.46901179
  O     14.85587542     14.43118719    -14.27997915
  H     16.33908480      8.85535650     -8.20874767
  H     11.08884505     10.17797773    -14.84063421
  O     15.37980903     10.99063632    -16.67826052
  H     16.41147294      9.85671304     -9.38639256
  H     12.87595484     12.90487925    -17.02719290
  O     15.39431058     13.24898656     -9.75224102
  H     14.34277117     13.58777113    -12.84674019
  H     13.73722486     11.64208601    -17.24842298
  O     17.33498792      9.05290405    -16.95294483
  H     14.34082687     12.11293949    -12.30967751
  H     11.67707926      9.23497295    -10.95383625
  O     17.25976075     11.13979689    -10.23205173
  H     14.37928505      9.81405911    -15.65284927
  H     11.78444917      8.83128136    -12.43509066
  O     11.56062684      9.91910796    -14.03873267
  H     13.13506429      9.40499996    -14.77735398
  H     17.85659324     10.16852372    -13.49078235
  O     12.84811580     12.00021843    -17.36417527
  H     18.88011069      7.92279009    -14.03787015
  H     16.56309962     10.81255639    -12.94123287
  O     12.00278665      8.54157960    -11.54083072
  H     17.33654112      8.06022619    -14.06520840
  H     10.43116024     12.60445075    -15.29807634
  O     17.50298825     10.98448069    -13.11458139
  H     14.35936287     10.40771251     -8.76948971
  H     10.81621186     13.04663267    -13.86981328
  O     10.64387220     13.37796724    -14.76141207
  H     14.23825056     11.91353670     -9.04158161
  H     13.71992062      8.15286236    -11.25629636
  O     14.68929184      8.10305726    -11.24485445
  H      9.94636882     10.74219683    -17.10270166
  H     15.01004483      8.34665088    -10.36933945
          69
 Energy    -247.95159996056859     
  O     14.14775013      5.38978946    -16.31729136
  H     14.74571020      6.06586573    -16.66050784
  H     11.87581653      7.51165355    -15.54790122
  O     17.19465645      6.76021326    -14.63682800
  H     14.69357404      4.81576843    -15.76700479
  H     16.27186714      8.27032955    -11.85269988
  O     14.93588586     10.79578374    -13.66937660
  H     16.86046775      7.41050608    -14.00355679
  H     15.21940700      7.96119293    -12.94171491
  O     10.53498091      6.30484159    -12.78800395
  H     16.88302598      7.03202355    -15.50896190
  H     13.99575508      6.07875328    -12.76176298
  O     17.52733878      4.10875966    -10.16237907
  H     15.40514149     11.57166336    -13.37382351
  H     13.25139304      6.90638680    -13.85156514
  O     11.53842790      3.98056711    -11.80428344
  H     15.40230434     10.02688023    -13.29975778
  H     11.98012729      5.09329943    -10.19707650
  O     16.43034908      7.67457188    -10.12922975
  H     10.93743126      6.41071656    -13.66292782
  H     12.13819537      6.60978135    -10.01976212
  O     12.16628642     10.15154706    -13.35347140
  H     10.83377072      7.04952117    -12.25597492
  H     18.59305095      6.08514172    -13.63257967
  O     17.88886502      3.08349079    -12.66843274
  H     18.09377451      4.88816851    -10.11280963
  H     18.85520220      4.73457958    -12.94381970
  O     14.48695313      9.60108481    -16.22677741
  H     16.65398787      4.40657014     -9.87619728
  H     14.72474777      4.15586627    -13.08123935
  O     11.68473961      9.33161030    -15.88860346
  H     11.10883978      4.76731533    -12.18439133
  H     13.35468929      4.05578537    -12.26681829
  O     12.01265967      6.64595880    -15.14340969
  H     10.87437919      3.29758447    -11.76578609
  H     15.43965070      8.27209867    -16.77784596
  O     16.03060279      8.46827530    -12.76600247
  H     17.35892619      7.41146618    -10.13906710
  H     16.29965421      7.67009907    -17.91531213
  O     13.82699084      6.97549402    -13.07934837
  H     15.91844459      6.85987650    -10.00438386
  H     16.62323430      3.69498325    -13.91913771
  O     12.28560683      5.76622857     -9.57712363
  H     13.08544872     10.44849529    -13.36493989
  H     16.36248689      5.10283313    -14.48366945
  O     19.14583220      5.65434203    -12.96663005
  H     12.06823621      9.60187011    -12.56802082
  H     19.87659179      6.77061484    -10.09493358
  O     14.26419499      4.38131607    -12.26304382
  H     17.70490732      3.37954921    -11.75918131
  H     19.09946438      6.31281360    -11.35119897
  O     15.95793863      7.49122507    -17.04336627
  H     18.29472122      2.22342697    -12.59733778
  H     14.12327455      5.49883911     -9.48645671
  O     15.97982184      4.21537660    -14.41801936
  H     14.70119395     10.09071730    -15.42387064
  H     14.86108060      4.93296923    -10.69786568
  O     19.00072162      6.57903767    -10.41920590
  H     13.52453159      9.52959757    -16.24239466
  H     14.14526985      9.45143828     -8.61978348
  O     15.01179475      5.32426983     -9.82302833
  H     11.76825792      9.65058407    -14.97106257
  H     14.99827427      8.76109790     -9.69194931
  O     14.15635787      9.21804581     -9.54571044
  H     10.93981409      9.78539404    -16.27313838
  H     12.78475639      7.74766021    -11.86404737
  O     12.20593153      8.20200271    -11.23059812
  H     12.66927133      6.15773474    -15.66348727
  H     12.79666895      8.63812084    -10.59835662
          69
 Energy    -247.95159752730461     
  O     15.52010079     11.12291323    -15.67645825
  H     15.98179344     10.28878240    -15.49246135
  H     17.54144962      6.88317623    -12.46255121
  O     14.04246441      5.98418485    -14.31897974
  H     14.80842546     11.17823104    -15.03061884
  H     19.03852003     11.40788229    -16.53650209
  O     18.87174412     11.49759308     -9.99252954
  H     14.57645532      6.07916593    -15.12789420
  H     20.13697441     11.47252641    -17.62474585
  O     19.61512845      8.72749070    -15.42304842
  H     13.72878852      5.08413148    -14.29760092
  H     17.74203605      8.69888890    -15.33050196
  O     13.51671509      8.12292095    -17.83269922
  H     18.62594478     11.64603271    -10.91579642
  H     16.39719051      8.02924264    -15.77341162
  O     18.74927424      7.72560758     -9.73347300
  H     18.13484463     10.99922463     -9.61663540
  H     13.25942333      9.96812104    -14.14607037
  O     15.89570433      7.53067126    -12.90510085
  H     19.84945115      8.98585887    -14.51953380
  H     12.72067502     11.29925072    -13.57160150
  O     18.03143087     11.23124243    -12.68443803
  H     19.76099527      9.48151725    -16.00639041
  H     13.02297453      8.46059354    -16.00634669
  O     19.11672653      6.05245037    -15.06642800
  H     14.10832259      8.86769227    -18.05189189
  H     13.14731093      7.65634562    -14.70225553
  O     18.01091225      6.15578884    -17.54561730
  H     12.91174963      8.02613532    -18.56219249
  H     20.22693109     10.38307321    -10.03871774
  O     15.46168187      6.57553834    -16.57320317
  H     19.54202196      8.27549289     -9.75522171
  H     21.66668585      9.90557400     -9.72708260
  O     18.47370308      6.69548640    -12.28590622
  H     18.02056632      8.33411116     -9.56161488
  H     20.34600005      9.27657662    -11.92500981
  O     19.55840900     10.87207302    -17.16342549
  H     15.21514515      6.92153895    -13.21295102
  H     19.38501809      8.25212284    -12.58505987
  O     16.78556815      8.70085502    -15.19859473
  H     16.23766891      7.97944554    -13.69643071
  H     16.02900375      9.75945371     -8.67820790
  O     13.51580551     10.78348078    -13.67822922
  H     17.15776830     10.87578093    -12.47865333
  H     16.22784847      9.89446080    -10.20286967
  O     12.89756899      8.51974625    -15.05114598
  H     18.63629198     10.47638256    -12.72517368
  H     18.01663840      8.09237899    -18.16254031
  O     20.86002085      9.65389565    -10.16744245
  H     18.93077478      6.03267880    -14.12164100
  H     18.44675199      9.57958313    -18.08307820
  O     19.84380453      9.09349769    -12.72777779
  H     19.45647697      6.94541309    -15.23518166
  H     14.82961291     10.39334857    -12.39012773
  O     16.69455845      9.75862259     -9.36202055
  H     18.39859104      6.02714516    -16.66118369
  H     15.64900308      9.10939705    -12.13478827
  O     17.80375060      8.97689538    -18.47658293
  H     18.46451395      5.55503290    -18.13114873
  H     18.15480806     11.98649837    -14.40279883
  O     15.55612180     10.03641547    -11.86567539
  H     14.84876751      7.04141147    -17.15843952
  H     17.13845334     12.01603696    -15.54627418
  O     18.06697180     12.19263440    -15.34239843
  H     16.26261660      6.34082928    -17.05941257
  H     15.31524258     10.59594925    -17.45564058
  O     15.26357936     10.07705380    -18.26888447
  H     18.59956823      6.86854441    -11.34061488
  H     16.15018941      9.71975254    -18.42586862
          69
 Energy    -247.95101046064048     
  O     12.04775337      2.66861649    -10.48880984
  H     11.25425581      2.15075666    -10.37918469
  H     18.56268524      4.25819134    -16.52157612
  O     17.94373777      5.96393494    -10.49373322
  H     11.75794295      3.54202903    -10.79309045
  H     17.86829823      5.08386471    -14.15531499
  O     14.42114002      8.34932638    -13.08560246
  H     17.90123765      5.56101516    -11.36981493
  H     17.42187761      6.31106853    -13.32922562
  O     14.73131374      7.20384598    -17.28114674
  H     17.35581698      5.46772432     -9.91275294
  H     11.45750497      7.18630194    -13.93229396
  O     17.97087862      8.64432359    -10.80414112
  H     14.15800616      9.13171936    -12.58720233
  H     10.89350015      6.49082527    -12.67406588
  O     14.25003875      6.69294257     -8.84476864
  H     14.29604720      7.58273912    -12.50211585
  H     14.59116007      5.33299358    -11.83596955
  O     16.16284389      4.65281954     -8.65940754
  H     14.65979416      7.68332930    -18.10205392
  H     14.22102323      6.27035239    -10.63051576
  O     13.06542340      6.94924501    -15.02071829
  H     15.60362588      7.42011753    -16.90446447
  H     15.07635871      3.06048145    -11.04451897
  O     15.38806118      4.47585179    -16.73109738
  H     18.78112447      9.00936430    -10.45841807
  H     13.86038655      2.71864338    -10.16246055
  O     11.51434654      6.90673666     -8.98717849
  H     17.99791148      7.68516805    -10.62965462
  H     12.79742059      9.92218614    -11.20261073
  O     17.19249281      7.56623711    -16.19325985
  H     14.69720255      7.54001137     -9.00878429
  H     13.42838943     11.31677239    -11.44106710
  O     17.98566680      4.80018014    -15.99054821
  H     14.91643991      6.02684928     -8.63656172
  H     11.37770577      8.31292664    -10.30723574
  O     17.60565655      5.36237646    -13.26921162
  H     15.67187339      3.96534719     -9.14666675
  H     11.15194601      8.45354790    -11.83368175
  O     10.81615917      7.28463727    -13.21914305
  H     16.56727606      4.22252705     -7.91075669
  H     17.50522826      8.42400492    -12.61092341
  O     14.08916630      6.11506150    -11.57456305
  H     13.51288803      7.08971408    -15.86442045
  H     16.16918450      8.24315713    -13.36904017
  O     14.81459133      2.86787205    -10.13323526
  H     13.52770749      7.50749221    -14.37704651
  H     16.28095962      8.97898898    -10.00743543
  O     13.64025342     10.39259061    -11.34711618
  H     14.72589658      4.23046216    -16.07406966
  H     14.85552096      9.57085811    -10.14767166
  O     11.41548528      8.93894242    -11.03832434
  H     15.11758681      5.34421880    -17.05657660
  H     16.17783509      4.34270229    -12.91979248
  O     17.12739242      8.11883044    -13.44416510
  H     12.47383156      6.82041538     -8.85221038
  H     14.74444634      3.91997463    -13.38437864
  O     15.41539693      9.02316103     -9.58372348
  H     11.11954561      6.95803753     -8.12062254
  H     12.37418639      5.53543222    -11.51625699
  O     15.36784692      3.88923934    -12.64731103
  H     17.25183015      7.89110944    -15.28464943
  H     11.27157203      5.75297598    -10.47521440
  O     11.46599191      5.27741931    -11.29399892
  H     17.61032147      6.69660802    -16.18972357
  H     12.59425386      3.81352901    -14.58704229
  O     13.44360715      4.24322788    -14.65671579
  H     17.07419721      4.59615876    -16.26695529
  H     13.27048036      5.19627898    -14.73660232
          69
 Energy    -247.95100008070753     
  O      0.89713069      3.95541870      0.15822988
  H      0.03714348      3.54545230      0.31124766
  H      2.37982101      0.27767718      1.32825146
  O      1.04870938     -3.39091625     -2.45727267
  H      0.96732423      4.08332878     -0.79670553
  H     -0.30563022      2.77702245     -2.47167847
  O     -2.06621630      3.21181395     -4.93411955
  H      1.23163401     -4.32624620     -2.41993745
  H     -1.45552450      2.44338376     -1.48884799
  O      2.76964568      1.95954849      0.36333930
  H      1.68368056     -2.95773067     -1.86059072
  H     -1.31657017      0.68309886     -3.11152950
  O      0.89645855     -1.39118297     -4.44017905
  H     -2.24172097      2.39206606     -5.41231440
  H     -1.87984248      0.04311159     -4.40721567
  O      4.68527501     -0.49314680     -2.22496504
  H     -1.93392461      2.96085453     -4.00901637
  H      2.45900746      1.20785426     -4.89417516
  O     -0.52010080     -0.07084399      0.16929023
  H      2.20672395      2.73889804      0.47131785
  H      2.18180198     -0.18387954     -4.27756770
  O     -1.56156004      2.43677779      0.37683320
  H      2.35650096      1.45144488     -0.35133523
  H      4.40981743      2.75293353     -2.36779630
  O     -2.30999568      0.64936024     -6.13928521
  H      0.09707760     -0.94658814     -4.11707339
  H      3.54763424      2.10086770     -3.47580626
  O      1.51423197      0.48286264     -1.62567721
  H      0.99835465     -2.18007859     -3.89508009
  H      0.20396556      5.28271985     -5.74921099
  O      1.20944043      3.83433925     -2.70518139
  H      4.96786080      0.30735197     -1.76500567
  H     -0.59564139      4.05419796     -5.24382062
  O      2.02661883     -0.61703968      1.40932826
  H      4.20711917     -0.19726461     -3.00699964
  H      4.37760954      2.01832729     -0.31490061
  O     -1.17916489      2.36665646     -2.40962606
  H     -0.93990300     -0.84206003     -0.23766853
  H      5.91067410      2.23692073     -0.29096864
  O     -1.43768088     -0.15821740     -3.57364156
  H      0.12568046      0.23268603     -0.48714743
  H      2.82300045      2.77407631     -6.26911366
  O      2.72224233      0.61428224     -4.17586410
  H     -2.29143527      2.52004561      0.98469418
  H      1.34120337      3.03892349     -5.93025835
  O      3.87169082      2.95079284     -3.14431490
  H     -1.25489992      1.51452836      0.42817153
  H      0.88029754      0.87328612     -6.74587794
  O      0.29644149      4.43933293     -5.31422943
  H     -1.41011948      0.47666244     -6.46973951
  H      0.57153513     -0.52878373     -6.16492564
  O      5.18434286      1.99742335     -0.86010045
  H     -2.91497404      0.28301605     -6.77845091
  H      3.55502274     -1.55213974     -1.27153881
  O      1.95905785      2.34394086     -6.19311792
  H      1.89994228     -0.38144000     -1.41946653
  H      2.61943188     -1.61712590     -0.00006502
  O      0.26947626      0.12736694     -6.80528819
  H      1.78042123      0.68587093     -2.52718228
  H      4.31914246      3.54742725     -4.85548600
  O      2.75152466     -1.94685424     -0.90136429
  H      2.14470925      3.61128389     -2.79005449
  H      5.29686111      3.66438218     -6.03646157
  O      4.36794055      3.64083538     -5.81931874
  H      0.93340135      4.17984205     -3.56389610
  H     -1.54595921     -1.48286468     -2.23145596
  O     -1.37645853     -2.08517782     -1.49365553
  H      1.08118311     -0.53166882      1.22905720
  H     -0.63569401     -2.63413077     -1.77493208
          69
 Energy    -247.95097671376720     
  O     17.80865174     10.99756825    -14.21734484
  H     17.06954199     11.60297204    -14.35323392
  H     17.84966707      7.32455238    -10.11754376
  O     15.21429138      6.35544596    -11.52819558
  H     17.87704362     10.86860049    -13.26451756
  H     12.45904783      6.91758727     -7.96019123
  O     12.03241592      9.17234046    -12.98828682
  H     15.39418418      6.06837131    -12.43384684
  H     12.74886938      8.33593041     -8.47178683
  O     13.41246753     10.65295419    -10.97994736
  H     14.25444688      6.43421314    -11.43324022
  H     14.75872652     11.91563597    -11.34699965
  O     19.16371003      8.07118022    -11.33546942
  H     12.75548055      9.50999586    -13.53694474
  H     16.30838047     11.91561854    -11.40889788
  O     12.90428317      6.63672217    -16.39050005
  H     11.46656123      8.67797831    -13.59527566
  H     14.71349948      9.50860806    -11.61141013
  O     15.72288209      5.80239773    -14.19552749
  H     13.29552301     10.41378150    -10.05194669
  H     15.37433964      8.11760449    -11.89887052
  O     14.28744273     10.03085733    -14.42120866
  H     12.71071182     10.24945610    -11.50558594
  H     18.68523316      9.01193634    -16.50223586
  O     16.23202103      9.59566456     -8.85592909
  H     20.07536997      7.81219487    -11.22981362
  H     17.96707045      9.63324522    -15.28033149
  O     13.51584606      4.22995207    -14.93846663
  H     18.85333404      7.66431772    -12.16447558
  H     11.84824442      5.67406939    -12.56737840
  O     13.63161668      9.93037238     -8.27358438
  H     13.11400727      5.75891712    -16.04848948
  H     11.12050104      5.93265933    -13.89125973
  O     17.08368190      7.09110113     -9.57953734
  H     13.74077797      7.11982619    -16.40139780
  H     18.26495952      7.59756167    -14.42539180
  O     12.28940521      7.51146585     -8.68868348
  H     15.56895062      6.56572750    -14.77002061
  H     17.48972004      6.43414009    -13.78722713
  O     15.52521332     12.43217313    -11.63278082
  H     15.06196870      5.14427601    -14.44453498
  H     12.35965693      7.70401599    -11.87645060
  O     15.38776279      9.05315604    -12.13470531
  H     14.57553452     10.94576868    -14.51796277
  H     12.34672837      7.09673566    -10.43231806
  O     18.02569277      8.83580460    -15.83652997
  H     14.78504954      9.66425458    -13.67089631
  H     10.03598491      7.65435675    -15.49871927
  O     11.54305421      5.23630161    -13.37411438
  H     16.74668242     10.08468659     -9.50219284
  H     11.53573766      7.27844312    -15.50013018
  O     18.25606140      7.00645562    -13.66245471
  H     16.49012832      8.66884908     -8.98417374
  H     14.90532176      8.73220227    -15.49023885
  O     12.51480744      6.89963906    -11.36423575
  H     12.80835358      4.51378928    -14.33158304
  H     16.25641102      8.24237060    -16.05521874
  O     10.79080949      7.53738717    -14.92788485
  H     13.35946662      3.30997169    -15.13264049
  H     15.44309729     12.64614624    -13.36256270
  O     15.33409592      7.98605293    -15.93495211
  H     14.58634580      9.80999750     -8.43373836
  H     15.28512918     13.48303699    -14.65591316
  O     15.44771834     12.60015997    -14.33590258
  H     13.54759524     10.54869062     -7.55269262
  H     18.29927690      9.75069069    -11.27673234
  O     17.60628761     10.41538704    -11.38189746
  H     16.44404103      6.69613611    -10.18844224
  H     16.82656448      9.91352109    -11.67802362
          69
 Energy    -247.95075658536081     
  O     18.87904706     10.59398575    -14.38225760
  H     19.45251482      9.82055617    -14.27317064
  H     20.61631523      4.68875448    -13.39294793
  O     21.83245155      8.06596447    -11.69168611
  H     18.71940057     10.93023533    -13.49419084
  H     15.60884057      9.34888192    -14.95258092
  O     15.32574813      7.71010831     -9.76446465
  H     21.14372973      8.48458540    -11.14420609
  H     15.40880551      9.36319452    -13.42385287
  O     17.07494599      9.60754847    -16.14148172
  H     22.66391349      8.44997986    -11.42710771
  H     18.72100639      7.48577631    -13.32339886
  O     12.04744435      6.55379833    -12.14237543
  H     14.43014984      8.07737332     -9.77521963
  H     17.46363357      6.57944056    -13.54890637
  O     18.58818104      5.78776046    -10.59010192
  H     15.25861271      6.85759261    -10.21624787
  H     14.96947330      6.12493353    -14.22216741
  O     14.69852505      5.44514527    -11.29920646
  H     16.98392209     10.21076068    -16.87513133
  H     14.42335407      7.55501112    -13.97934510
  O     21.09255562      5.29601909    -11.76104061
  H     17.71282190     10.01208790    -15.52712390
  H     17.87249461      7.77347599     -7.77955174
  O     16.93590897      3.70129289    -11.38866911
  H     12.74599729      6.58160162    -12.81858290
  H     16.95456486      7.83067212     -9.01945229
  O     17.79145459      3.09651810    -13.88233672
  H     11.27403116      6.19698603    -12.57124822
  H     20.50885687      5.65613931    -15.44501761
  O     20.25679167      8.23651458    -13.99227158
  H     18.42669240      6.39494036     -9.86117611
  H     21.30594216      6.17400046    -16.66893190
  O     20.28069282      4.45656199    -14.27170139
  H     18.36338941      6.26787980    -11.40295772
  H     12.31099672      9.32925663    -10.48709632
  O     14.94788556      9.21923179    -14.26115556
  H     14.74324367      5.86311139    -12.17332192
  H     12.43069342      7.85680204    -10.90180127
  O     17.91299399      7.14992129    -12.91307457
  H     13.75714560      5.36720936    -11.12883820
  H     19.37961981      9.99234686    -10.72535401
  O     14.26496298      6.61995986    -13.78038514
  H     21.47542778      6.17962707    -11.71462829
  H     19.18957491      8.81931728     -9.73957492
  O     17.88250405      7.82885442     -8.73233974
  H     20.27994111      5.34977317    -11.24026893
  H     17.86360839     12.01319959    -11.32694990
  O     20.62257483      6.41424712    -16.05022291
  H     17.58149869      4.30710413    -10.99819093
  H     17.53438872     10.54826756    -11.70564721
  O     12.73737446      8.50826324    -10.25195756
  H     16.09243409      4.16606142    -11.32931275
  H     16.97641119      5.88272948    -15.48772679
  O     19.84252170      9.26537598    -10.29091675
  H     17.49418689      3.24369955    -12.96630840
  H     16.95177596      4.60819696    -14.56302503
  O     18.25270094     11.20342001    -11.64706870
  H     17.67678121      2.16751134    -14.06276523
  H     17.63947344      7.82506053    -16.49118973
  O     16.54463427      5.46695208    -14.72441827
  H     20.90329327      8.15102160    -13.28019408
  H     18.81048917      6.80039168    -16.52025816
  O     17.85466409      6.89178298    -16.61400833
  H     20.50849124      7.64824292    -14.71597843
  H     16.97519865      8.50364698    -12.27831787
  O     16.43578536      9.20134117    -11.87194840
  H     19.47841492      3.94100625    -14.13865696
  H     15.97608629      8.78979026    -11.13195487
          69
 Energy    -247.95072752809841     
  O     16.18211699     11.18683168     -9.36463764
  H     16.60910703     11.53605955     -8.58697064
  H     14.34346886      6.20246800    -14.89834005
  O     12.13666906      6.42954307    -12.51224886
  H     16.58460097     10.31687401     -9.53971986
  H     16.40695368      5.64713912    -14.05321913
  O     17.46386157      9.85804525    -14.94233425
  H     12.54885465      5.55733982    -12.52313967
  H     17.93195696      5.63959190    -14.30005558
  O     17.44774249      8.34208401    -12.63090897
  H     12.46651991      6.86541504    -11.71491132
  H     14.36549906      8.54373037    -11.75564086
  O     17.11183376     12.54644516    -14.22974744
  H     16.60871889      9.64497076    -15.34005539
  H     15.70765945      8.82867896    -12.50362529
  O     13.45233970      7.80602091    -10.38115316
  H     17.44579197     10.79759351    -14.72027308
  H     14.35919957     10.73711944     -9.47141019
  O     14.96528918      9.34041930    -16.23867657
  H     17.59372498      8.89535753    -13.41005863
  H     13.24807647     10.95183141    -10.50171016
  O     14.52163091     11.85901902    -15.23627843
  H     17.43336163      7.42376442    -12.93448139
  H     14.08456412      4.39811493    -13.65590868
  O     16.35642359      5.41724227    -17.19218510
  H     16.74379697     12.56115372    -13.32787521
  H     13.37967983      3.15046475    -13.07646824
  O     15.94613712      4.83132710    -11.29635147
  H     17.63546528     13.33700072    -14.32787969
  H     13.87058324     10.50819871    -12.57863126
  O     13.44687910      7.74875228    -14.53970616
  H     14.13408472      7.33877482     -9.88139089
  H     12.44938595     11.09539418    -12.79111245
  O     14.82386746      5.36462321    -14.93903131
  H     13.35325739      8.68771816     -9.99229429
  H     15.77729867      5.85738484     -9.93222868
  O     17.26273917      5.75703647    -13.61460500
  H     14.34638928      8.76088090    -15.77477156
  H     15.71132926      5.98310842     -8.39126285
  O     14.76121586      9.01439944    -12.50326177
  H     14.72874721     10.25230402    -16.01295052
  H     19.76661905      5.23682807    -16.09739667
  O     13.44868392     10.48884691     -9.68379738
  H     15.38926459     12.21799462    -15.00948218
  H     18.94532921      6.54578155    -16.18298532
  O     13.69957637      4.01919392    -12.84623079
  H     14.04472672     11.79896210    -14.40199766
  H     16.72884182      7.97253652     -9.59701437
  O     13.35087322     11.33364129    -12.58367323
  H     16.30657222      6.26559804    -17.65005379
  H     17.43868944      8.61161967    -10.81417191
  O     15.63431355      6.48363107     -9.19903314
  H     17.25246305      5.35974427    -16.83796089
  H     16.01446631      8.38484053    -19.12204782
  O     18.92200722      5.62067802    -15.87841874
  H     15.15362976      4.48016184    -11.72093097
  H     15.78222128      8.55340264    -17.60367578
  O     17.20819395      8.75800504     -9.88645778
  H     16.54696851      5.07165034    -12.01299469
  H     16.05203645     12.10358405    -10.98786613
  O     16.30264186      8.07128715    -18.26860082
  H     12.79366761      7.28882769    -13.99217270
  H     14.93736139     12.29808496    -12.03108768
  O     15.85510794     12.52024444    -11.83640002
  H     13.99799291      8.21826685    -13.89452938
  H     18.02265953      8.16292431    -17.42759323
  O     18.74029077      8.16844528    -16.78154770
  H     15.26545433      5.30876332    -15.79899596
  H     18.47680364      8.81807267    -16.11622098
          69
 Energy    -247.95063701116661     
  O     14.64429640     12.12908772    -12.48778543
  H     14.20970562     12.49804262    -11.70932605
  H     11.63386227      5.25721673    -11.04578000
  O     17.29290720     10.20535590     -7.51235279
  H     15.42762452     11.67378297    -12.15604688
  H     13.62501400      6.39711161    -13.98396908
  O     16.64283858      6.30381457    -10.66375237
  H     17.13333598      9.30500678     -7.20692925
  H     15.01470082      7.02326089    -13.66430495
  O     13.30659495      5.34876535    -10.43437346
  H     16.45198954     10.53496141     -7.85960337
  H     11.21872297     10.71155928    -11.28280504
  O     18.75431773      7.31655456     -9.12841343
  H     16.33186720      5.52961477    -11.14853215
  H     10.90844700     10.67068522     -9.77456549
  O     17.12971712      7.36023392     -6.95359204
  H     16.02554206      6.44244863     -9.93125277
  H     19.74738399     10.66346839     -9.52732339
  O     16.60000445     10.59574584    -11.12022587
  H     13.77242099      5.63054994     -9.63626282
  H     18.43388368     10.21867054     -8.83769054
  O     13.33057280     12.89477154    -10.05824123
  H     13.94910347      4.89551670    -10.99803324
  H     14.28890229      7.38803414     -8.40964098
  O      9.77508459      7.89814014    -10.82954934
  H     18.92470448      8.21972316     -9.42273005
  H     15.59743553      6.78983012     -7.84131997
  O     14.95505482     10.94761238     -8.86172775
  H     18.16434099      6.91843924     -9.78334099
  H     12.11452388      8.90515878    -12.14520978
  O     13.41932418      8.10050754    -11.25278334
  H     17.54714275      6.99433121     -6.17806748
  H     11.81488667      9.92695924    -13.28151537
  O     10.77481642      5.32454862    -11.49454197
  H     17.78072804      7.30261453     -7.67678935
  H     11.57776366      7.60154048    -13.64618189
  O     14.57202210      6.20577446    -13.92266757
  H     17.49110957     10.48838352    -10.76726310
  H     11.38368202      6.16067112    -13.15550924
  O     11.23483953     11.24307226    -10.47863264
  H     16.01686051     10.67665377    -10.35159721
  H     10.12882102      8.71054709     -9.33913963
  O     18.96766672     10.12811429     -9.64877768
  H     13.01370390     13.77045683     -9.85450857
  H      9.68516560      9.29381156     -7.97540670
  O     14.87822213      6.62169046     -8.46371713
  H     12.54519943     12.33783439    -10.20885152
  H     15.03121256      4.95231835    -12.86481576
  O     11.39631637      9.32684872    -12.64502100
  H     10.01813915      6.98303085    -11.01449124
  H     15.52275756      3.51271149    -12.55811957
  O     11.81598335      6.68766567    -13.83775025
  H     10.14539800      8.42191352    -11.55267471
  H     13.10080083     11.18676993    -15.10846261
  O     10.42000569      9.24936855     -8.58076553
  H     14.32690239     10.23028122     -8.69938844
  H     13.50575174     11.42007756    -13.64233312
  O     15.26902947      4.33380970    -12.14746655
  H     14.44014824     11.70294527     -9.17257310
  H     12.25617223      8.95051585     -8.44907758
  O     12.83630552     11.00382949    -14.21113587
  H     13.32826822      7.14835357    -11.12937037
  H     13.25342598      8.66102862     -9.59650382
  O     13.19253223      8.82272938     -8.64042138
  H     14.25837545      8.24747272    -11.71037549
  H     16.26542449      7.61979861    -11.88584085
  O     15.87887242      8.29005356    -12.46828056
  H     10.37064376      4.46156183    -11.44735175
  H     16.17502410      9.14460724    -12.12724947
          69
 Energy    -247.95060135513683     
  O     16.45880742     11.16045473    -16.29175586
  H     15.50697268     11.07475094    -16.17565135
  H     19.98170337     11.51701844    -15.17061223
  O     16.11275108      5.16607295    -15.15348452
  H     16.69588247     10.74268777    -17.13515226
  H     16.63935447      8.66935143    -14.26632077
  O     16.31305991     12.21557860     -9.85215091
  H     15.17045770      5.33240291    -15.15199792
  H     17.11164027      9.77217533    -15.26983975
  O     19.90863639      8.88797182    -13.81586052
  H     16.47004771      5.76091717    -15.82829657
  H     13.95550145     10.72520501    -14.64046822
  O     15.66490197      8.58518296     -9.44129737
  H     15.45032946     11.78443975     -9.87476034
  H     12.99093541     11.09256448    -15.79122769
  O     15.12579754      8.10281189    -13.34632598
  H     16.89885393     11.60496679     -9.38552321
  H     17.25291218      6.27771287    -11.92457215
  O     17.16550001     11.49793040    -12.37436870
  H     20.38730942      9.58706498    -14.27752406
  H     16.16716992      7.35622237    -12.14562337
  O     19.99827744      6.21104247    -14.58216665
  H     19.01284909      8.88973353    -14.19267098
  H     14.05711308      8.69590990    -16.00493576
  O     19.72554566      6.59269435    -17.24626706
  H     16.00690415      7.91694826    -10.04847754
  H     15.05292518      7.61799012    -16.50118890
  O     17.01556379      7.16324559    -16.92184633
  H     16.43945679      9.04481690     -9.09285915
  H     18.34421805      9.82903523     -9.77137405
  O     17.88713333      4.94240289    -13.08435073
  H     14.73764214      7.86633835    -14.20023197
  H     18.75835644     10.06627269     -8.30071662
  O     20.78144150     11.00563017    -15.39334424
  H     14.83047937      8.99683848    -13.12853842
  H     19.21096803      9.12311230    -12.16059611
  O     17.36440449      8.94269028    -14.84092226
  H     16.92071162     11.93120514    -11.54351500
  H     18.00986817      8.44293761    -11.44683306
  O     13.77187773     10.58425460    -15.58453041
  H     17.65569965     10.70323344    -12.12805690
  H     14.50443527      9.79494387     -9.93921543
  O     16.84292718      7.05050918    -11.51964343
  H     19.34698994      5.76762858    -14.02780897
  H     13.17666428     10.53668442     -9.65909228
  O     14.27546938      7.75587287    -15.94901602
  H     20.09793316      7.10576769    -14.22726226
  H     20.26208665      9.95030335    -16.92156644
  O     18.01748238     10.11086787     -8.89945668
  H     19.86948248      6.40308511    -16.30176314
  H     19.99202323      8.52717204    -17.47718575
  O     18.58601261      9.22080202    -11.43004021
  H     20.29416789      6.00525029    -17.73671888
  H     14.18985396     10.76674295    -12.03409464
  O     13.94947988     10.54568302    -10.21754990
  H     17.89217488      6.87018519    -17.20601984
  H     15.45902958     11.08955775    -12.85976092
  O     19.91830452      9.46659071    -17.68142073
  H     17.18194533      7.80139829    -16.20892146
  H     17.78339279     12.07039192    -15.38493174
  O     14.54122854     10.78726950    -12.93406843
  H     17.99203415      4.02241396    -12.85291450
  H     18.08355921     12.13084719    -13.87961338
  O     18.48200153     12.27351234    -14.74786269
  H     17.23581467      4.97538548    -13.80661862
  H     18.23166285      9.71308992    -18.27929060
  O     17.27187595      9.68088566    -18.42465013
  H     21.49399057     11.63329413    -15.47590446
  H     17.02474218      8.77731899    -18.20789485
          69
 Ord_Energy   -247.950577    
 O   -2.91120434       7.90046597       2.13867188    
 H   -2.07845187       8.30697727       2.43951321    
 H   -3.51038575       8.61559105       1.94048834    
 O    2.96263027       2.84555602       3.98553038    
 H    3.06252575       3.53412342       3.30490947    
 H    3.82781076       2.46810412       4.12477589    
 O  -0.518293083       8.90891361       2.95889497    
 H   0.164428934       8.97336006       2.27785158    
 H  -0.101241909       8.45791721       3.70042562    
 O   0.569693029       1.66140747       2.97563601    
 H    1.42175186       1.90412199       3.35626388    
 H   -5.81738204E-02   2.32955575       3.29269862    
 O   -1.95123148      0.451167792       3.60864353    
 H   -2.12157130      0.845134556       4.47192907    
 H   -1.02153111      0.621299803       3.41235757    
 O   0.572891355       2.63252568      0.320895433    
 H   0.605663061       2.19614196       1.18148696    
 H  -0.359262824       2.79758596      0.133886278    
 O   -1.06513119       3.67627335       3.91931844    
 H   -2.02325535       3.64499998       3.81486893    
 H  -0.897723794       3.77046776       4.86526108    
 O    3.03487301       7.44293928       3.02133369    
 H    2.43486285       7.45440769       3.77618313    
 H    2.61331487       7.98910093       2.34426522    
 O    1.68750775       4.44687271       5.97846985    
 H    1.60693085       5.32693577       5.59655762    
 H    2.15802717       3.90261197       5.33517790    
 O   -3.35406637       6.34161615       4.50557327    
 H   -3.29129601       6.80117226       3.66132021    
 H   -3.65372753       5.43881559       4.32946444    
 O   0.814285994       6.88366842     -0.632168412    
 H    1.34670556       6.07943296     -0.667578995    
 H   -7.53923282E-02   6.60695124     -0.377159178    
 O   0.767439723       7.03374243       4.78728437    
 H    2.89182104E-02   6.93313122       5.40238428    
 H   0.542596161       6.53615379       3.98294497    
 O   -1.51063645       6.62704039       6.42021322    
 H   -2.20334125       6.55030251       5.73744392    
 H   -1.83511066       7.23808193       7.07632256    
 O   -3.86919475       3.62546539       4.13773918    
 H   -3.69877648       3.01712847       4.86691809    
 H   -3.94602680       3.08872199       3.33168888    
 O    2.33975673       4.47113132     -0.525901914    
 H    1.70656729       3.78049827     -0.253447354    
 H    2.83186269       4.11830902      -1.26235378    
 O   -2.12087369       3.38688993     -0.119163893    
 H   -1.99078250       4.32079601      0.115444347    
 H   -2.55963039       3.37650323     -0.967054963    
 O   -2.71991372       1.87881875       6.12338543    
 H   -2.06254005       2.51677012       6.44460249    
 H   -3.02763724       1.39819348       6.88837910    
 O    3.03614712       4.84452486       2.15292692    
 H    2.95526004       4.78116369       1.19306445    
 H    3.17951775       5.77031803       2.40376830    
 O    1.57467413       8.87922955       1.04419887    
 H    1.89506519       9.61251068      0.525310218    
 H    1.32038307       8.18094063      0.415573269    
 O   -1.55423963       5.97364664      0.620402515    
 H  -0.858558893       5.82107162       1.28154361    
 H   -2.14915562       6.62314939       1.01317036    
 O   -3.58461404       2.04559708       1.97059453    
 H   -3.06684804       2.42192531       1.25074315    
 H   -3.02798772       1.38830876       2.41424775    
 O   0.307461530       5.50384283       2.54975057    
 H    1.19835520       5.19083452       2.35800171    
 H  -0.173445329       4.80191422       3.01652098    
 O  -0.870535195       3.89095116       6.70748854    
 H    9.31408331E-02   3.95720744       6.61417866    
 H   -1.19098282       4.80137730       6.75396156    
          69
 Energy    -247.95053608104197     
  O     10.61876758      9.83000209    -10.94825982
  H      9.86157445      9.80190931    -10.36996132
  H     11.02486184     10.58196494    -16.38321749
  O     15.05956031     10.43148898    -13.15320393
  H     11.36346989     10.17856523    -10.42511383
  H     14.52763702     13.19101324    -14.91254240
  O     16.82643948      7.19012583    -13.18558412
  H     14.54106913     11.12827716    -12.73485210
  H     13.49254945     14.30779910    -14.67903826
  O     11.42633659     11.57231901    -13.00095349
  H     15.98739648     10.68367431    -13.05506423
  H     16.79085982     12.15478554    -15.88949977
  O     12.07069410     15.03350452    -15.67258959
  H     16.56951566      7.16613177    -14.11538581
  H     18.16190422     12.86193348    -15.95072602
  O     15.10073930     12.07752858    -16.35892366
  H     16.01900179      7.34015140    -12.67709527
  H     18.18947375     10.28804091    -15.81972505
  O     15.22033686      9.49161685     -9.55111596
  H     11.02823454     11.02172765    -12.31403089
  H     18.72961916      9.17157439    -14.90410846
  O     13.81509445     12.61436496    -11.85044650
  H     12.19716184     11.99940537    -12.60834447
  H     15.97059907     11.20376399    -10.15265425
  O     14.41970448      9.48843555    -15.61128039
  H     11.35358509     14.43647201    -15.39239227
  H     16.81660253     11.90026002    -11.24253115
  O     18.96435057      8.83241869    -13.03638999
  H     11.69983495     15.91037849    -15.71402900
  H     11.70054099     10.32638606    -14.33706906
  O     12.77395453     10.93933170     -9.76008582
  H     14.85597004     11.15612830    -16.19841201
  H     12.66025437      9.54143111    -15.29094530
  O     10.69767193     11.22303620    -17.03597661
  H     14.39682820     12.45600248    -16.90588444
  H     17.10624799      8.16201365    -16.01860873
  O     14.17368681     13.78419730    -14.23911423
  H     15.55196997      8.93752280     -8.84888759
  H     16.53451078      6.89308564    -16.69902729
  O     17.70651960     12.11839983    -15.56336662
  H     14.99421710      8.90111722    -10.28914135
  H     12.14383597     12.42396017    -17.50548837
  O     18.37270804      9.34145890    -15.78524636
  H     14.64488895     12.58671523    -11.34804059
  H     12.60285365     13.82565044    -17.06540493
  O     16.16022070     12.06191264    -10.55192279
  H     13.96410915     13.15253966    -12.64616252
  H     11.39825122      8.47515318    -12.04614059
  O     11.73419924      9.64616077    -15.02584847
  H     14.66045486      9.79446054    -14.72132887
  H     11.78067485      8.32527493    -13.52779082
  O     16.36877950      7.52507196    -16.00460841
  H     15.00391626      8.75139511    -15.82346887
  H     18.20230620     10.49528773    -12.83908756
  O     12.86524243     13.05930142    -17.59112581
  H     19.70464633      8.39724155    -12.62305452
  H     17.75223894     11.69312549    -13.72678869
  O     11.91722291      7.93595166    -12.65656677
  H     18.21926100      8.20394939    -13.01928039
  H     10.23057289     12.54524810    -15.72714711
  O     17.67194803     11.30383701    -12.84617595
  H     13.56973185     10.43413595     -9.55392855
  H     10.55505814     12.66724731    -14.22672017
  O     10.23116413     13.16695516    -14.98860747
  H     13.06027148     11.64059478    -10.35809563
  H     13.62476665      7.88233499    -12.05752621
  O     14.53928679      8.09431860    -11.82307943
  H     10.11956602     10.74330026    -17.62376435
  H     14.74420788      8.91388791    -12.29991538
          69
 Energy    -247.95047084635362     
  O     11.76622029      6.96256522    -15.73766714
  H     12.56653919      7.05800035    -16.27345153
  H     18.88386012      8.70859523    -14.36300466
  O     16.51608703      6.76114521    -12.79476879
  H     11.45639758      7.85694161    -15.55556150
  H     13.75915783     10.61473567    -16.95916486
  O     14.66390126     10.48063390    -11.64915954
  H     16.40548858      6.29091975    -11.95468014
  H     13.93110171     11.20392935    -15.54613809
  O     15.33548773     11.12495031    -14.28399434
  H     16.78375090      7.65203182    -12.52431767
  H     14.60615787      7.98613359    -15.24159878
  O     16.35485116      5.45061764    -16.82248466
  H     13.85067447     10.01785484    -11.89676853
  H     15.29848692      7.71344176    -13.87128693
  O     13.69706254      6.70817133     -9.29328690
  H     14.90992649     10.96724473    -12.44799025
  H     11.83798421      4.27715572    -14.10980948
  O     12.59031850      9.05903575    -12.86591109
  H     16.22018026     11.37598606    -14.57429275
  H     12.14407158      5.70823828    -14.60914331
  O     17.19608029      9.49927475    -16.88879806
  H     15.26639886     10.16140766    -14.37242390
  H     18.00895368      8.55751918     -8.36767978
  O     16.27355666      5.94083158    -10.21693688
  H     16.59260108      4.68403734    -17.33677992
  H     16.60172602      8.69643233     -9.00319935
  O     17.97813258     11.61331655    -15.18382924
  H     15.93782602      5.12487379    -16.00236275
  H     14.27012499      4.85278980    -14.28086420
  O     17.92664283      7.23172153    -15.25314715
  H     13.15793651      6.30888515     -8.61592025
  H     15.64967599      5.34268837    -13.77800212
  O     19.03392933      9.51828917    -13.86115341
  H     13.19887032      6.63303568    -10.12740196
  H     16.35890160      9.67483174    -11.71760260
  O     13.26892123     10.97917388    -16.21301694
  H     13.34359871      8.76006836    -13.40073067
  H     17.44787830      8.95894904    -10.86986070
  O     14.78985435      8.36125686    -14.37143528
  H     11.93222503      9.35945427    -13.50287736
  H     14.42962266      8.44205237     -9.14470813
  O     12.43608876      5.01123897    -13.99410761
  H     17.50585048     10.28291143    -16.41817953
  H     14.77199522      9.77774529     -9.85993200
  O     17.49569040      8.32955099     -9.13744379
  H     17.42544689      8.74393991    -16.33472447
  H     15.74850929      9.66895755    -17.78224308
  O     15.21778146      4.82396879    -14.46585787
  H     15.37882939      6.08833406     -9.88329543
  H     15.04118077      9.98361283    -19.12520173
  O     17.21215320      9.22446844    -11.76902711
  H     16.81875338      6.60778063     -9.78155001
  H     12.35182264      7.47108898    -12.01228832
  O     14.95719950      9.24918584     -9.07379899
  H     18.56058528     12.36517751    -15.24110437
  H     12.40505272      5.97287117    -12.37180014
  O     14.88046125      9.71398783    -18.22532527
  H     18.45004302     10.92552294    -14.67918215
  H     10.31957685     10.19417474    -15.37683208
  O     12.39579483      6.58464703    -11.62772433
  H     17.55421962      6.97468323    -14.39990201
  H     11.85315209     10.18833182    -15.57419652
  O     11.11087346      9.70540826    -15.16804405
  H     17.55821115      6.60310945    -15.88690485
  H     14.42763531      8.09585904    -17.49829551
  O     14.24890457      7.32744204    -16.94054886
  H     18.47935853      9.45576479    -13.06968777
  H     14.97030944      6.69679464    -17.05504952
          69
 Energy    -247.95046529201531     
  O     18.14073611     10.76098658    -17.22387425
  H     17.38884719     11.36046966    -17.17623865
  H     20.89883790      8.79010724    -14.68758728
  O     14.65169918      6.21760594    -14.97882840
  H     18.89730216     11.17216301    -16.77816313
  H     17.22316235      7.93296953    -15.90914425
  O     19.53679574      8.28950517    -13.67769928
  H     15.33767209      6.18197790    -15.66150133
  H     17.71488905      9.40613787    -16.08839707
  O     16.06516118      7.78869138    -19.17479556
  H     15.09987528      6.03344733    -14.14525845
  H     15.75851497     12.31973602    -15.88573164
  O     15.27103167      9.64626245    -14.04440694
  H     19.30322011      8.71165394    -12.84110710
  H     15.45540316     13.02776928    -17.22469616
  O     18.60183139     11.84101346    -13.45509230
  H     18.79979837      8.44348705    -14.29134559
  H     16.16938299      7.47423188    -11.93997391
  O     18.67613045      5.61283719    -13.81747611
  H     15.57086299      8.47859533    -18.69636826
  H     15.72655620      8.86163061    -12.43901081
  O     13.25526337      8.43705417    -15.53949663
  H     15.56970895      7.59589179    -19.96605811
  H     14.14784498      9.24839815    -17.00447144
  O     19.16019833      5.12723068    -16.58925913
  H     14.48467807      9.29679655    -14.47989075
  H     14.98149515     10.48518798    -17.42204890
  O     16.69920399      6.42255963    -16.82388932
  H     16.03823372      9.29689568    -14.52509905
  H     19.09679261     13.14671911    -10.44064431
  O     16.22811730      5.72238725    -12.65237488
  H     18.56427240     10.98733793    -13.00167180
  H     18.59015182     12.51679254    -11.75520074
  O     21.54423587      9.11467728    -15.33897769
  H     17.71041455     12.02492946    -13.78190489
  H     17.65874111      9.27125866    -11.51980096
  O     17.46601290      8.73842645    -15.43448233
  H     18.86144448      5.35479952    -14.72811645
  H     18.45359303     10.49539586    -10.97142172
  O     15.72715842     12.19390899    -16.84859706
  H     19.09968064      6.47233759    -13.69315708
  H     16.58622780     13.01969552    -11.12830600
  O     16.15530940      8.40895280    -11.69987156
  H     13.69645908      7.58929952    -15.34184540
  H     15.09051032     12.89346917    -10.81114553
  O     14.68157063      9.61890089    -17.71839832
  H     12.31807663      8.28768274    -15.45446618
  H     20.89219692      7.97259282    -16.76483534
  O     18.39330713     12.61703305    -10.80839458
  H     19.55999788      4.36727100    -17.00206332
  H     19.93876186      7.81809750    -17.98268341
  O     18.50706606      9.74418890    -11.56651515
  H     19.68703474      5.90382024    -16.85760736
  H     15.61245827     11.35702536    -14.03258624
  O     15.70129257     13.17685809    -11.48858228
  H     16.52527621      6.77512504    -17.70619395
  H     15.73502069     12.70082863    -13.25672418
  O     20.47388272      7.32577580    -17.34124959
  H     17.51311995      5.90358240    -16.84829109
  H     19.79196531     11.77140644    -14.89634068
  O     15.90229761     12.28082601    -14.11061371
  H     16.12722174      4.95412764    -12.09601925
  H     20.79085988     10.84314805    -15.62954050
  O     20.25019815     11.63600983    -15.73685482
  H     17.10505355      5.64792413    -13.06919833
  H     18.60593910      9.52695211    -18.48215692
  O     18.77420975      8.72624921    -18.99971296
  H     22.41029917      8.92693523    -14.98516357
  H     17.90093428      8.37206637    -19.19982952
          69
 Energy    -247.95046484336189     
  O     -3.30316924      0.32970329      3.59125480
  H     -3.34841980      0.35464259      4.55774530
  H     -1.33647677     -3.50247428      7.27827960
  O     -2.59640215      3.25442293      6.65267755
  H     -2.98000410     -0.54640920      3.33655870
  H      0.16341885     -0.58527307      6.44959664
  O      2.28633954     -0.98042654      1.50776647
  H     -3.03775841      3.92061668      7.17289954
  H     -0.72739421     -1.28133650      7.52580256
  O     -0.50716422     -0.46523265      1.42201837
  H     -2.58898785      3.57526723      5.73320632
  H     -2.19873563     -4.33892542      5.37204956
  O     -2.21654760     -2.16551315      2.95142445
  H      2.59332857     -0.27019872      2.08186064
  H     -0.70346301     -4.01726142      5.17815945
  O     -3.43023452      2.48181077      1.89797304
  H      1.34222137     -0.82290139      1.36829602
  H     -0.77824926      2.72109230      6.99998652
  O     -2.45167727      4.06219628      4.07885254
  H     -1.12966341     -1.15558512      1.67612442
  H     -0.05929398      1.38731422      7.27703503
  O      0.26159431      3.82958283      3.60904468
  H     -0.45505968      0.12463543      2.19045594
  H     -3.16978543     -2.39516217      7.39905410
  O      1.45711752      2.93152094      1.26112583
  H     -1.35559137     -2.45861579      3.28643688
  H     -3.78887828     -1.15828561      6.72860245
  O      0.22557409     -3.01189699      3.98189268
  H     -2.86839486     -2.72517303      3.39233026
  H     -0.42928032      2.05559078      3.71081060
  O     -3.88306022     -3.67850897      4.63567390
  H     -3.48616383      1.68340318      2.45040303
  H     -1.57773973      0.99400574      3.78033705
  O     -1.42418057     -2.91412555      8.05054020
  H     -4.27415292      2.57066901      1.46108402
  H      2.59189792     -4.17897649      1.50206965
  O     -0.49868290     -0.42777794      7.13721757
  H     -2.84373528      3.63526539      3.30886552
  H      2.30706210     -2.71488361      1.88258087
  O     -1.33772727     -4.40085358      5.80145557
  H     -1.50772239      4.15639388      3.88511559
  H      1.45413326      2.72194188      6.11104437
  O      0.09434625      2.32737328      7.11535687
  H      0.69013152      3.68306436      2.75520207
  H      2.80686420      3.46251955      6.01563472
  O     -3.91748988     -2.10643694      6.86093946
  H      0.93586572      3.68918545      4.28658237
  H      2.66061904      1.81734886      4.04740050
  O     -0.62214603      1.11224913      3.72809924
  H      1.96525042      3.27319221      0.53002159
  H      2.34926134      1.78577241      2.54800667
  O      2.16167754     -3.63674740      2.15689826
  H      0.60158331      2.64484561      0.89486726
  H     -0.87398230      1.12254027      0.53003599
  O      2.15941429      2.99323382      5.49587796
  H      0.60476963     -2.19882653      4.33964445
  H     -1.80271170      2.30793285      0.84654013
  O      2.75057634      1.26762851      3.25849640
  H      0.86973984     -3.36265785      3.35027347
  H     -2.99824522      1.45025758      6.50744281
  O     -0.97536905      2.07754553      0.40863216
  H     -4.68796674     -4.18517318      4.57045648
  H     -2.13699777      0.16622368      6.56348901
  O     -3.01327816      0.50279842      6.32426906
  H     -3.97524463     -3.10462533      5.41719589
  H      1.96196007     -0.23158716      4.49263753
  O      1.15872141     -0.54819657      4.91329744
  H     -1.24379363     -3.44299479      8.82272858
  H      0.47007148      0.03591182      4.55249298
          69
 Energy    -247.95046338126826     
  O     14.62048613     10.18709007    -15.99806163
  H     14.22928074     10.61111900    -16.75833967
  H     11.99101302      9.41238313    -13.86844945
  O     18.11856681      9.05207510    -14.08005613
  H     13.92015303     10.11920334    -15.32784988
  H     16.96419632      9.45147971    -11.03747387
  O     16.61422964     10.92384963    -10.12007614
  H     18.85746984      8.44716578    -13.93841890
  H     17.40982867      8.84276463    -12.41586485
  O     10.75194051      8.02594351    -13.41680805
  H     17.52000768      8.61941211    -14.70664351
  H     13.82443189      7.87212585    -11.80254126
  O     17.51380712      3.62958928    -13.86490841
  H     16.39669072     11.62428349    -10.74828140
  H     15.24979537      8.47378034    -12.07661797
  O     11.86278521      5.76620079    -14.44541289
  H     15.78279248     10.69467068     -9.68490670
  H     12.30439811      3.45622005    -11.65101990
  O     16.38306239      6.17487132    -10.58687046
  H      9.80467802      8.03062774    -13.52744227
  H     13.51764580      4.24025857    -12.19911375
  O     13.99202233     10.18585936     -9.26547121
  H     11.08301483      7.22773682    -13.86638487
  H     19.56754674      6.42693347    -12.91778544
  O     18.18241910      5.71144265    -15.48260448
  H     17.82730120      2.81728167    -14.25332663
  H     20.89394680      6.96585912    -13.50224841
  O     15.75066357     12.76112577    -12.12937803
  H     17.70590704      4.33831880    -14.50483966
  H     14.50624230      7.10103225    -13.74107840
  O     13.27628080     11.50570031    -11.55964079
  H     12.78279845      5.99491322    -14.63813436
  H     14.89122979      5.61830041    -13.82580560
  O     12.80643539      9.92348213    -13.93091719
  H     11.92304758      5.11207071    -13.73862303
  H     17.25434184     10.70199978    -14.21358784
  O     16.96759520      8.64986055    -11.58065447
  H     16.70685395      7.01447256    -10.94905941
  H     15.94052431     11.07178603    -14.92982709
  O     14.37818727      8.31122246    -12.45876727
  H     15.67234201      6.43293633     -9.98338235
  H     15.78758310      8.64310558    -16.07877349
  O     12.55099214      4.26353175    -12.09505781
  H     13.51453200     10.59760030     -8.54891017
  H     15.71464111      7.26088377    -15.40681950
  O     19.94813193      6.98254359    -13.62108379
  H     13.67073149     10.60389571    -10.08334855
  H     18.41009220      4.59572665    -12.44236066
  O     14.60406244      6.36472217    -14.36509023
  H     18.87288525      6.15665681    -14.97443419
  H     18.05033944      5.51509374    -11.25900369
  O     16.59643157     11.40343478    -14.30596923
  H     17.59646099      6.40658972    -15.80414584
  H     12.27971907      6.00788836    -11.44760462
  O     16.31780596      7.86650170    -15.86613764
  H     16.00404311     13.67519743    -12.22515947
  H     11.64391589      7.37317429    -11.80018448
  O     18.76931118      5.27269313    -11.85602818
  H     16.07329952     12.29723097    -12.92260418
  H     16.00148417      4.02218369    -12.90250128
  O     12.22140334      6.93097051    -11.16736396
  H     12.98643556     11.10218149    -12.38485438
  H     15.64375202      5.02998037    -11.76572258
  O     15.26628894      4.43585751    -12.43281033
  H     14.07121885     12.01203565    -11.77616292
  H     14.22875797      8.28749634     -9.19257741
  O     14.22452393      7.32482509     -9.26720754
  H     13.44962049      9.43079301    -13.39197812
  H     13.40098918      7.11403016     -9.72643697
          69
 Energy    -247.95043514046179     
  O     12.23337381     11.02202742    -15.43774047
  H     11.82152379     10.63155655    -14.64925922
  H     18.62360524      9.65168117    -12.66534660
  O     16.06201070      7.79571030    -13.55357082
  H     12.57623266     11.89268897    -15.20745195
  H     16.03107647     10.41904099    -17.16591842
  O     16.43825234     11.56195197    -10.97852410
  H     15.52372404      8.51511291    -13.91654323
  H     17.37482474     10.35490160    -16.36575587
  O     16.37710947     13.14966007    -14.94319815
  H     16.59961810      8.18464931    -12.85143696
  H     13.86232425     10.12066728    -14.92681694
  O     12.85359335      7.32095680    -16.19273233
  H     15.61360151     11.67639707    -11.47453762
  H     15.38882697     10.28887612    -15.15487718
  O     12.26810776     10.58953693    -10.67772821
  H     17.09529844     12.07066624    -11.46922867
  H     11.58250585      9.91877136    -12.32389029
  O     14.11360977      6.69707829    -11.92821300
  H     16.47405822     12.41655651    -15.56875714
  H     11.47959722      8.76352747    -13.34291408
  O     14.11553011     11.71935711    -12.45874818
  H     15.43428971     13.33689188    -14.89893258
  H     15.69060110      6.73636763     -9.20042667
  O     17.34865197      7.06438665    -15.88717263
  H     12.52843289      8.03492708    -16.75361646
  H     14.97495196      7.16627045    -10.50310617
  O     18.93605237      9.42819925    -15.97324583
  H     13.68923251      7.04266265    -16.58716128
  H     11.20793518      6.30521037    -13.75282922
  O     15.27226380      6.74447703    -17.56369800
  H     11.65310870     10.99418477    -10.07105535
  H     12.25920489      7.07219549    -14.58300396
  O     19.02543035     10.16773799    -13.37477200
  H     13.04873316     10.34158875    -10.15117477
  H     17.48132652     12.97125990    -13.60569473
  O     16.53590234     10.82516749    -16.44470345
  H     13.28866427      6.75764936    -12.42065950
  H     18.67877360     13.58687305    -12.84620784
  O     14.72491623      9.98666016    -14.51850587
  H     14.80341578      6.95103240    -12.55952101
  H     17.06384996      9.86073151    -11.22638641
  O     11.33140519      9.71188824    -13.23104366
  H     13.42216257     11.35977419    -11.89188651
  H     16.92008301      8.39278294    -10.76602697
  O     15.55861796      7.47641358     -9.78654295
  H     14.36141701     11.04009961    -13.10696924
  H     14.89677321      9.17483337     -9.41021591
  O     11.87901084      6.98042374    -13.69063037
  H     16.93135241      7.19819300    -15.02343155
  H     15.28317550     10.64616063     -9.68331192
  O     18.10476783     12.82583500    -12.87161068
  H     17.96732071      7.79645097    -15.99038319
  H     14.02739783      9.61287806    -18.19683838
  O     17.39053058      8.96296879    -11.38613153
  H     19.80399173      9.53654234    -16.35251643
  H     15.12973489      8.54744244    -18.10889478
  O     14.57403815     10.08375359     -9.34946905
  H     19.01055483      9.66181799    -15.03029920
  H     13.70511918     12.92466571    -13.68098350
  O     14.98243867      9.49112313    -18.25439209
  H     16.04497128      6.82099768    -16.97563019
  H     13.12140395     14.25021478    -14.22683485
  O     13.50277169     13.41789340    -14.49567603
  H     15.43127095      5.99167489    -18.12640860
  H     11.41486422      9.84739479    -18.28880500
  O     12.16616566      9.62035026    -17.74766761
  H     18.77854661     11.08659464    -13.21170340
  H     12.12807446     10.19097239    -16.95988643
          69
 Energy    -247.95041012176273     
  O     11.07599384     11.51091793    -11.85614056
  H     11.36433715     11.43031012    -10.93511073
  H     13.15161820      8.20752352    -13.26288426
  O     13.69883394      7.79297348    -16.27734191
  H     11.41698599     12.34456225    -12.20314622
  H     16.30705611      8.61888486     -9.60006131
  O      9.65734429      9.50059253    -15.24556380
  H     13.87909247      7.24134918    -17.03293823
  H     14.86607426      8.70456646    -10.15289117
  O      8.32825717      9.01405580    -10.01255614
  H     14.55376469      8.16873693    -15.99309502
  H     10.13433650      8.67081609     -7.39611483
  O     12.44576544     13.74294521    -12.82097238
  H      9.13853784      9.77575156    -15.99730854
  H     10.03066120      7.23768504     -7.95845084
  O     15.96312567      8.86473543    -15.30201741
  H     10.56996189      9.76446506    -15.43955936
  H     13.34411897     12.34370515     -9.99460578
  O     13.58137284     12.65534728    -15.04348096
  H      8.53038071      8.08691473     -9.83822782
  H     13.45695800     13.25192848    -11.24611123
  O     15.52796442     11.10210730    -11.95707759
  H      8.59518020      9.16846252    -10.92930588
  H     13.15313908      8.05452502     -8.87277558
  O     13.04957841      7.28441279     -7.30592635
  H     12.86090776     13.38434957    -13.62532032
  H     12.52389556      8.11774338    -10.30886223
  O     12.35008431     10.15996142    -15.60611619
  H     12.18757381     14.63816223    -13.02382069
  H     10.16538557      6.66492507    -10.25383328
  O     13.13997491      9.96493317    -12.95227691
  H     16.07450028      9.80308724    -15.11769214
  H      9.20889624      5.54757631     -9.78031101
  O     13.13486392      7.26543874    -13.50207742
  H     16.09038382      8.39562322    -14.46322031
  H     11.86320528      7.11732613    -12.18572261
  O     15.80360183      8.81575587    -10.38593209
  H     13.11100840     11.90996598    -15.43743123
  H     10.66552468      8.04479843    -11.84780032
  O     10.37800434      7.75449585     -7.21952613
  H     14.49984866     12.36965596    -14.95820476
  H     15.97395791      7.84390565    -12.03069620
  O     13.97055820     12.83140111    -10.54491406
  H     15.75645612     10.35214555    -11.39437770
  H     14.99772139      7.19900557    -13.02966248
  O     13.16728301      8.52912087     -9.71899840
  H     15.07257712     11.75924317    -11.40816666
  H      9.47772087      9.31108952    -13.45830192
  O      9.49975882      6.43437107     -9.58380568
  H     13.33015979      6.68082176     -6.62437958
  H      9.99939596     10.17195135    -12.28134310
  O     11.25933268      7.37498406    -11.47646432
  H     12.09797837      7.43113603     -7.16269673
  H      9.01715379     10.93805458     -7.58381069
  O     15.92183305      7.45454289    -12.91052441
  H     12.76197309      9.38711823    -16.01379750
  H      9.11945904      9.97292421     -8.78818010
  O      9.55885888      9.33580127    -12.49558855
  H     12.64172564     10.14682898    -14.68116368
  H     17.03217093     12.09031578    -14.60720978
  O      9.63178569     10.40354695     -8.08013410
  H     13.97183425     10.34943391    -12.65239901
  H     16.04483957     11.47484350    -13.58824191
  O     16.19644348     11.63541390    -14.53615748
  H     12.42552689     10.45916381    -12.53190296
  H     12.50034215     10.21403238     -9.41864353
  O     12.06449084     11.07295936     -9.32324249
  H     13.19925982      7.24467449    -14.46360236
  H     11.26683004     10.92078446     -8.80022472
          69
 Energy    -247.95036828111591     
  O     17.59261280      8.75879634    -15.08051533
  H     16.63831345      8.79828273    -14.93502107
  H     20.35511226      4.51298084    -15.52503152
  O     17.55017544      1.62771618    -12.43149900
  H     17.74619101      7.99074444    -15.64116347
  H     14.90640223      7.42892593    -16.02914258
  O     20.55453927      6.17447510    -13.04737065
  H     17.47180658      1.46136829    -13.37902321
  H     16.02288138      6.61117719    -16.71953549
  O     13.96253641      4.33911536    -16.27952515
  H     16.69728846      1.95829942    -12.12050036
  H     13.58016486      6.91664793     -9.32169750
  O     17.80992385      6.06035383    -16.24259761
  H     20.24999961      5.35977358    -12.63114742
  H     12.04719122      6.94247148     -9.53091628
  O     13.79047504      3.95456366     -9.21844485
  H     20.61380203      5.98831666    -13.99200909
  H     18.62577850      4.25100462    -11.28170116
  O     17.74606791      1.39718748    -15.26127260
  H     14.26607702      5.23920032    -16.50044430
  H     18.61940845      2.97622899    -12.14529068
  O     16.48080632      7.45801816    -10.80215277
  H     13.16897884      4.17930844    -16.78246951
  H     14.35651691      4.49210561    -14.46931377
  O     19.97687517      3.05647865    -14.66714952
  H     18.76423307      5.92298014    -16.30715889
  H     15.61473128      4.94830806    -13.66428925
  O     17.30612708      4.87497918    -10.14473225
  H     17.58139190      5.82943828    -15.32724873
  H     19.28644427      7.42024704    -12.71800216
  O     17.30671913      5.47809990    -13.60025236
  H     14.20596424      3.54720371     -9.99114947
  H     18.25661075      8.34476581    -13.45731853
  O     20.50019293      5.40852882    -15.88199481
  H     13.37015925      4.76461429     -9.52902588
  H     14.23375234      6.23182516    -12.77862525
  O     15.06864057      6.75610013    -16.70226146
  H     17.30891161      2.09623658    -15.77823644
  H     13.59321899      6.98630018    -11.57848897
  O     12.86208048      6.62786149     -9.91402071
  H     17.73010078      0.60768800    -15.79607325
  H     15.04007895      3.62045825    -12.16865765
  O     19.04744440      3.84439759    -12.05204924
  H     15.71113689      7.38351776    -11.38088421
  H     16.05629397      3.74744441    -10.99873526
  O     14.67945250      4.69991089    -13.58540279
  H     17.22147670      7.76109550    -11.34697772
  H     15.68451331      3.63399295    -16.58720976
  O     18.43906097      7.87966309    -12.62835418
  H     19.29693840      2.41659140    -14.91195806
  H     17.08451874      4.27476365    -16.67813879
  O     14.14069996      7.10349018    -12.36547255
  H     19.84377922      3.23367141    -13.72894397
  H     16.00413992      4.15956598     -6.88199935
  O     15.39256738      3.16274190    -11.39272042
  H     17.00632010      4.74226403     -9.23700670
  H     15.13309308      4.34027493     -8.14964800
  O     16.62531396      3.42857826    -16.65194569
  H     17.05121241      5.77672892    -10.38605474
  H     15.63955762      7.50547297     -9.14194322
  O     15.93146268      4.65888372     -7.69060529
  H     17.86886884      4.81263998    -13.18542417
  H     15.38895069      6.49042290     -8.00828493
  O     15.03312752      7.28772716     -8.41933288
  H     17.59679651      6.33135635    -13.24990669
  H     14.51425095      8.15370364    -13.77851052
  O     14.76553063      8.63607111    -14.58236744
  H     21.32184475      5.38383589    -16.36559122
  H     14.24114951      9.43390286    -14.59544485
          69
 Energy    -247.95013048023858     
  O     11.49513657      9.77559345    -12.43350713
  H     12.45343859      9.86650923    -12.54208866
  H     16.11961737      4.04484319    -16.64856210
  O     14.20800106      5.71220463    -14.17782433
  H     11.10277057     10.45280943    -12.98183525
  H     17.91937966      7.23974897    -15.78670351
  O     16.44732608     11.55500668    -11.94495818
  H     13.50811778      6.20061722    -14.63664493
  H     18.18384942      6.29959740    -14.59866593
  O     15.14490634      9.46992023    -17.57868925
  H     14.75226762      5.28639109    -14.85243004
  H     13.96257956      9.89925663    -16.14300475
  O     12.36969287      7.27060599    -15.51771966
  H     16.58064014     12.49078559    -11.81829808
  H     13.77347498     10.09012519    -14.61768091
  O     16.32977086      7.87008358     -8.84801683
  H     17.10071419     11.26529034    -12.60920893
  H     16.59451250      7.52928735    -13.20927953
  O     13.96358584      5.63776538    -11.41326894
  H     15.09805991      9.83910729    -18.45626576
  H     15.22192084      7.14551257    -13.82848956
  O     14.31308739      9.95191206    -12.66562639
  H     14.85461787      8.54160142    -17.64728732
  H     11.19249124      7.41126417    -10.25046830
  O     14.27217948      6.91191749    -17.55294682
  H     11.65090673      7.16235458    -14.87844833
  H     11.25306064      8.88018291    -10.72966733
  O     16.76052903      5.64896044    -10.62776963
  H     12.62531551      8.20450771    -15.49288064
  H     19.14580888      9.17059120    -11.25689444
  O     17.17274575      9.01721276    -15.70667063
  H     15.49466623      8.03370691     -9.32024546
  H     20.62319244      8.90677456    -11.64487555
  O     15.86112013      4.88563330    -16.28117586
  H     16.11661103      7.81359348     -7.91980563
  H     10.86425019      4.82707012    -10.72838252
  O     18.04134382      6.31027473    -15.55552883
  H     14.04926390      5.59863426    -12.37781337
  H     12.17835158      5.52871979    -11.13799699
  O     13.30518349      9.89436466    -15.43457707
  H     14.07398835      6.55998240    -11.14218469
  H     18.88135800     10.01716318    -13.22507193
  O     15.77234083      7.89425113    -13.56458046
  H     14.82348632      9.19549250    -13.00337582
  H     17.98640891     10.13540826    -14.48283443
  O     11.42393173      8.30682230     -9.97109832
  H     14.95629882     10.62335545    -12.40156712
  H     18.75385743      7.34403375    -12.46930597
  O     19.72743181      8.83323569    -11.96261274
  H     13.49702696      6.93401750    -16.97431663
  H     17.75121826      6.23118651    -11.99966406
  O     11.22024790      5.65506163    -11.04066268
  H     14.82797185      6.19289725    -17.23058441
  H     17.32958501     10.38465048    -10.63368452
  O     18.27368166     10.60578897    -13.68870320
  H     15.84745015      5.43117894    -10.84937322
  H     17.39540850      9.15886471     -9.67837463
  O     18.12372149      6.67924881    -12.77374380
  H     16.71164799      6.32472576     -9.94062614
  H     14.22415230      8.91077027    -11.08384552
  O     17.93235170      9.78233376    -10.18328588
  H     16.57287612      9.24797959    -16.42624245
  H     13.18770753      8.31487679    -10.08796669
  O     14.11728465      8.28353029    -10.36095593
  H     16.62323770      8.62899408    -15.00893637
  H     10.76089363      6.59310045    -12.64883734
  O     10.65541498      7.19436000    -13.39515011
  H     16.68197416      5.35743900    -16.05212903
  H     10.88740960      8.07029671    -13.06221229
          69
 Energy    -247.95009860014264     
  O      3.05637982     -0.51640119     -0.72466046
  H      3.07386393     -0.18406449     -1.63585350
  H      6.20028045      0.74799856      1.78542772
  O      7.90181462      3.11481176      2.76869657
  H      2.44376405      0.03225427     -0.22225014
  H      7.27457705     -1.91117972     -1.72024558
  O      1.57904171      1.38249667      0.81355928
  H      7.54921299      2.20754173      2.76983728
  H      5.80830714     -2.38608456     -1.56676943
  O      5.35876952     -2.81601322      2.48713275
  H      8.52338707      3.17256968      3.48937082
  H      6.01874674     -1.15653187     -3.59236969
  O      6.64442700      1.95424482     -3.62303383
  H      0.66960787      1.51711667      1.06324160
  H      5.80524432     -1.16141239     -5.12529491
  O      8.78775523     -1.24500792     -0.74094837
  H      2.11606833      1.49653048      1.62043731
  H      4.57188319      4.28311614     -0.06573271
  O      3.65343359      2.80969867     -0.39167086
  H      6.25758527     -2.53128852      2.23873629
  H      5.21593092      5.48019294     -0.78912229
  O      7.72599876      1.22141654     -1.20615607
  H      5.41564713     -3.74296674      2.70659802
  H      5.41025976      6.64341685     -3.17242247
  O      3.35641425      0.49000228     -3.26883528
  H      5.79726536      2.39011904     -3.44739064
  H      6.26794635      5.42131214     -2.76744407
  O      7.73944530      4.45643330     -2.75120150
  H      6.43106189      1.09422936     -4.00776801
  H      4.69727107      0.14793916     -0.13201384
  O      3.20672128      1.73619139      2.92501730
  H      9.67994652     -1.30694878     -1.07294057
  H      6.12367448      0.75415454     -0.40034777
  O      6.69133208      0.68962672      2.62164287
  H      8.49005789     -0.33343056     -0.90587761
  H      6.83671253      4.16124537      0.03270789
  O      6.45564118     -2.05280441     -2.20539767
  H      2.80680245      2.48506653     -0.06591604
  H      7.92432254      3.57403804      0.95203071
  O      5.76939231     -0.60168972     -4.35466266
  H      4.31107120      2.15332387     -0.11668690
  H      8.16449719     -1.70348152      0.96858608
  O      5.20291204      5.01096743      0.05297754
  H      7.39603277      1.42220320     -2.09339300
  H      7.58280499     -0.89648056      2.14585998
  O      5.38382362      5.82251418     -2.68847432
  H      7.78259366      2.06089795     -0.72914625
  H      3.96078847      3.05743945     -2.13781376
  O      5.38331839      0.73087171      0.21896652
  H      3.49804547      1.43902363     -3.36218029
  H      4.47638989      4.15820669     -3.08203611
  O      7.69096935      3.70563343      0.02502390
  H      4.10911215      0.06852619     -3.70250668
  H      3.90063833     -2.10299569     -0.46175860
  O      7.77956731     -1.79493223      1.84859866
  H      7.93733830      4.25018134     -1.82870862
  H      4.76482830     -2.78274827      0.61994489
  O      4.22133135      3.22878356     -3.05583908
  H      7.54698103      3.61281458     -3.18071434
  H      6.01415995      3.67707110      2.84669185
  O      4.57244420     -2.78671255     -0.32267829
  H      3.65972679      0.97341130      3.29799221
  H      5.04717135      4.42044273      1.92560737
  O      5.07677540      3.84117174      2.69616598
  H      3.84445338      2.46394429      2.88827673
  H      4.76483242     -1.39008724      3.45981122
  O      4.60628909     -0.58719851      3.98233535
  H      6.06791697      0.33526444      3.26657749
  H      4.40706489     -0.87393810      4.87056770
          69
 Energy    -247.95007465804315     
  O     19.91350122     10.06872674     -8.75382094
  H     20.13150007      9.15690734     -8.51133254
  H     17.00320747     11.00965261     -6.78668648
  O     16.75361599      5.19864518     -9.73166597
  H     19.20365747     10.32328033     -8.15386161
  H     19.30035489      7.27247773     -7.43427849
  O     17.17198077      4.60382035    -14.07825761
  H     17.30784034      4.41201747     -9.66040718
  H     20.31358908      6.49533856     -8.36136734
  O     17.93582658      7.36319196    -14.31949307
  H     17.34231007      5.94140804     -9.94213200
  H     18.56384872      3.95311224    -12.99421149
  O     21.23991521      5.59928116    -11.97663645
  H     16.69914434      4.09849293    -14.73507146
  H     19.92665914      4.29281234    -12.33355865
  O     15.49829737      5.63083548    -12.16420931
  H     16.51573922      4.89187878    -13.42076433
  H     13.09236908      9.08238516    -11.58772880
  O     19.86855111      7.90284315    -12.48766011
  H     17.76832667      6.41529288    -14.37968998
  H     12.31553507      9.44323500    -12.87704926
  O     17.78406057      7.49181149     -6.42770493
  H     17.11240545      7.75355742    -13.99547049
  H     15.86101588      8.24971476     -8.67231684
  O     12.72165051      6.76506991     -8.78680041
  H     22.11266752      5.63618641    -12.36033577
  H     16.96884269      8.52905694     -9.69505662
  O     20.70276790      4.97243651     -9.21301847
  H     20.81401237      6.45115543    -12.17051090
  H     16.11571508      9.05806095    -12.53599364
  O     18.25000328      7.41711561    -10.26549184
  H     15.61795233      6.57465693    -12.34934891
  H     14.72681009      8.51231718    -12.96024530
  O     17.53532639     10.30892207     -7.15620494
  H     15.89216786      5.43764746    -11.30188625
  H     20.25962972     11.28225460    -11.63671412
  O     19.97933834      7.37076835     -8.11790408
  H     19.23227516      7.78609464    -13.21144961
  H     19.84390092     10.36515449    -10.46202201
  O     19.21075848      3.64493440    -12.34842903
  H     19.90453071      8.83547315    -12.24360194
  H     15.81679467      6.07246951     -8.44954281
  O     12.92644085      8.81094874    -12.50849909
  H     16.93733856      7.15087403     -6.74010432
  H     14.43867092      6.66027103     -8.04727358
  O     16.24473210      8.95768999     -9.21162767
  H     17.70970894      8.45337778     -6.45563137
  H     13.13280387      8.52799879     -9.41116393
  O     15.66917003      8.30770600    -12.95564200
  H     11.89955653      6.46201808     -8.41070755
  H     14.42659170      9.30309170     -9.71180084
  O     19.74941818     10.50578657    -11.42161932
  H     12.73521496      6.46248099     -9.71270439
  H     17.86310522     10.47880479    -11.59420284
  O     15.38461246      6.71235239     -7.86282013
  H     20.02305080      4.29200880     -9.27970291
  H     16.63631633     10.15366420    -10.72063844
  O     13.47759448      9.29712405     -9.88351587
  H     20.96627542      5.17033974    -10.12037631
  H     18.79210561      3.21172089    -10.73106901
  O     16.90337436     10.37455876    -11.61946378
  H     18.88248602      7.41781252     -9.53153044
  H     18.61631575      2.16228325     -9.60388902
  O     18.58245566      3.09729692     -9.78544509
  H     18.74714025      7.54751455    -11.07999477
  H     13.68331695      5.81062228    -11.71984473
  O     12.82595449      6.15277842    -11.43404616
  H     17.02309513      9.92551928     -7.88643606
  H     12.71261233      6.98617896    -11.90779235
          69
 Ord_Energy   -247.950027    
 O   -1.59632456     -0.333213836       2.90776753    
 H   -2.47937703       1.39887002E-03   2.67710471    
 H   -1.71869743      -1.21245158       3.25629520    
 O   -6.57169676       1.70534229       1.16982257    
 H   -6.90372419       2.23817730       1.90264595    
 H   -5.78821993       1.25123513       1.50133944    
 O  -0.625972390       2.10274911       3.95570374    
 H  -0.889250994       1.21247005       3.69732547    
 H   -1.19786799       2.38279772       4.68601799    
 O   -5.81587887       3.92187095     -0.335703552    
 H   -5.85890961       4.59236574      0.353915364    
 H   -6.11058855       3.09606600       7.43409991E-02
 O    1.57323813       3.67571092       3.31200409    
 H    1.77343059       3.36114883       2.42440414    
 H   0.933841288       3.04110241       3.66706157    
 O   0.432537705       5.08903217      0.323443532    
 H  -0.255188465       5.13444471     -0.361435771    
 H   0.932801843       4.26882839      0.239323854    
 O   -2.57370639       7.25330496      0.988854349    
 H   -1.65670907       7.49706984       1.16909552    
 H   -2.84626079       6.68540668       1.72057354    
 O   -7.21013975       3.67599297       3.20576239    
 H   -6.88404131       4.45869017       2.72982287    
 H   -8.05443954       3.91348743       3.58037019    
 O   -3.36607671       5.40467119       3.02482271    
 H   -2.70983338       4.82894659       2.59601951    
 H   -2.99080467       5.69003534       3.86949062    
 O   -2.01299739       5.91945505       5.37557745    
 H   -1.14423943       5.96005964       4.93241978    
 H   -1.99767959       6.56653404       6.07506132    
 O   -5.91445875       5.72951603       1.89356315    
 H   -5.05445242       5.62622356       2.32348466    
 H   -5.86414671       6.56198311       1.40317237    
 O    1.74023998       2.64109588      0.571146905    
 H    1.06616843       1.93941426      0.589005172    
 H    2.52276993       2.25474334      0.186768547    
 O   -2.61539841       2.10557556       6.50315583E-02
 H   -2.98108268       2.56555200     -0.698312581    
 H   -2.25205445       2.77909517      0.660626054    
 O   -1.51133406       3.80607247       1.93365145    
 H   -1.14651811       3.21998239       2.61152697    
 H  -0.780339539       4.27006531       1.50806463    
 O   -3.73491192       3.67490578      -1.98442125    
 H   -4.52876806       3.80007148      -1.43132424    
 H   -4.03821087       3.42475963      -2.85252070    
 O  -0.226667985      0.753662169      0.602231443    
 H  -0.528331816      0.251833081       1.36727870    
 H   -1.03040385       1.14323258      0.230598018    
 O   -3.95503902      0.903321564       2.17693686    
 H   -3.57600212       1.30966818       1.38191569    
 H   -4.12604141       1.60910773       2.81626964    
 O   0.284019321       6.04429197       4.00725269    
 H   0.308490217       6.62062645       3.23629975    
 H   0.807703912       5.25965166       3.78769112    
 O   -5.22416544       7.98461771      0.459654689    
 H   -4.26586580       7.87306356      0.558329582    
 H   -5.35739946       8.37182140     -0.402360588    
 O   0.197073013       7.49647903       1.52928364    
 H   0.390224129       6.65606165       1.07501590    
 H   0.862907648       8.11969471       1.24983108    
 O   -1.76257920       5.52948570      -1.19480574    
 H   -2.18365932       6.12130880     -0.559589624    
 H   -2.44883108       4.93665171      -1.52449989    
 O   -2.41144252       3.09846735       5.77977037    
 H   -2.27157116       4.05371284       5.77989340    
 H   -3.25842094       2.95207644       5.33921146    
 O   -4.59054565       2.99541378       3.96335626    
 H   -5.54024506       3.13980246       3.86526251    
 H   -4.16747522       3.80571699       3.65232539    
          69
 Energy    -247.94974017891016     
  O     15.98753016     12.42335518    -16.92906699
  H     15.94140202     13.14717083    -17.54818739
  H     15.81270123      6.27196685    -14.51819826
  O     15.76884484      7.40306468    -13.12639155
  H     15.12627621     12.39076960    -16.47667949
  H     16.04114303      8.12242892    -17.55225791
  O     18.02569643     11.98569765    -14.90492278
  H     15.42603467      7.57542107    -12.24241727
  H     16.38002009      6.78205352    -18.25612415
  O     19.49865719      7.09183017    -17.06658747
  H     15.50719842      8.15387414    -13.68362279
  H     14.28255964      9.55026531    -15.07482280
  O     13.02935607      7.48499231    -17.73803541
  H     17.45680636     11.92017151    -14.12578913
  H     15.75339985      9.54137007    -15.55534761
  O     16.85466732     10.06377007    -10.74274124
  H     17.43671548     12.27597617    -15.61132385
  H     12.44830705      9.10607480    -12.62683271
  O     11.65174055      7.89337146    -13.82375773
  H     19.45206293      7.96044269    -16.64905496
  H     13.52072151      9.29731520    -11.53460778
  O     13.35200028     12.34140597    -12.83980884
  H     19.29953980      6.44993172    -16.37331192
  H     19.23127954      8.66358285    -12.10234123
  O     18.60679758      5.30206994    -15.01063047
  H     13.99466308      7.37436949    -17.80078876
  H     20.19238341      9.79585943    -11.71398607
  O     14.84582096      8.30741077    -10.63864284
  H     12.67248286      7.28883597    -18.60019668
  H     12.70981757      8.94902345    -16.60560870
  O     17.84959671      6.21668971    -19.06724996
  H     16.62705836     10.64121726    -11.48402586
  H     12.13285676      9.11039006    -15.18074825
  O     15.88018217      5.70193866    -15.30067421
  H     17.78449127      9.82707111    -10.85658275
  H     18.76756621     10.38512532    -15.29864693
  O     15.72281704      7.21866130    -17.69525509
  H     10.78410913      7.54419674    -13.63538093
  H     18.79324738      8.90936494    -14.79999211
  O     15.19430486      9.46381037    -14.77218701
  H     12.15344974      7.17397316    -14.24554647
  H     18.72080963      6.81990243    -13.88207438
  O     12.88592862      9.77293172    -12.08467839
  H     12.86344438     12.92435314    -12.26514947
  H     17.57397086      7.62091733    -13.23441047
  O     19.45756526      9.27998394    -11.38891329
  H     13.14534120     11.43190969    -12.55695140
  H     17.52001841      9.62832587    -16.67787436
  O     12.60188150      9.58034565    -15.88225423
  H     17.64528735      5.32447243    -15.14956019
  H     16.45906812     10.65511119    -17.19845951
  O     18.93159180      9.47030605    -15.57477265
  H     18.84540344      4.38691321    -14.88713879
  H     15.21048404     11.97085503    -12.84971254
  O     18.51623494      7.65894639    -13.45285668
  H     15.58536947      8.94366891    -10.59956570
  H     15.76628555     10.76480160    -13.61336241
  O     16.66155680      9.71415311    -17.11950550
  H     14.77047714      7.91757312     -9.77254289
  H     13.10064577     11.40324715    -15.87427392
  O     16.02318540     11.47716930    -13.00930320
  H     18.50165179      6.54684645    -18.42474255
  H     13.46814196     12.37656576    -14.74296739
  O     13.55773815     12.23498388    -15.69360029
  H     18.32784038      6.07594555    -19.87936461
  H     13.89835396      5.71144763    -15.21578565
  O     12.98939709      6.02332470    -15.28290653
  H     15.83857080      6.25995028    -16.09069239
  H     12.91184622      6.40867451    -16.16533183
          69
 Ord_Energy   -247.949646    
 O    3.64506483       7.41705275      0.813841522    
 H    3.15742278       7.01003695       8.24534968E-02
 H    4.54428053       7.52669477      0.484497428    
 O    3.60097671       1.84212542       1.60584557    
 H    3.48926711       1.14365149      0.946389437    
 H    2.76532149       2.33999372       1.61937618    
 O    3.50883722       9.76115465E-02 -0.536129415    
 H    3.13081527     -0.689403594     -0.946699083    
 H    4.46982670      -2.43081301E-02 -0.559248090    
 O    5.60035944      -2.27619696      -2.34794307    
 H    5.81435537      -1.78168499      -3.14930844    
 H    5.95525265      -1.74914348      -1.61924267    
 O    4.54451609       4.02457285       2.45372504E-02
 H    5.35644865       4.38376045      0.403224498    
 H    4.23152494       3.31719708      0.597505033    
 O    7.95567608       2.84595060     -0.421552539    
 H    7.49980593       2.31574726      0.245183393    
 H    7.77292061       2.42184973      -1.26782978    
 O    6.24830389       7.36511612     -0.407896429    
 H    6.60171700       6.58457184       5.04838899E-02
 H    6.94956350       8.01217079     -0.422560334    
 O    4.36795998       3.77569461       3.61360908    
 H    3.79192591       4.51123095       3.36649823    
 H    4.02952003       3.00577354       3.14328194    
 O    2.89571357      -2.15077281      -2.10849833    
 H    3.85358286      -2.31395602      -2.18789887    
 H    2.47393918      -3.00281167      -2.04248786    
 O    2.66394210       5.74048996      -1.14806569    
 H    1.89281738       5.18547153      -1.30216575    
 H    3.31190300       5.16949272     -0.704022646    
 O    1.46327066       3.46871543       1.46519506    
 H    1.14475560       3.59923124      0.564066172    
 H    1.73143280       4.33086205       1.80704081    
 O    5.88524246     -0.430079341      -4.52966595    
 H    6.08946657     -0.570117116      -5.45059347    
 H    4.92289782     -0.293105423      -4.47290134    
 O   0.767423451       3.65895820      -1.32215774    
 H   -7.24269822E-02   3.52268410      -1.75314629    
 H    1.40193260       3.05937886      -1.75012481    
 O    6.25911903     -0.231145948     -0.525437951    
 H    6.52191210      0.369712830      -1.24013162    
 H    6.49738979      0.190547436      0.308038831    
 O    7.03656435       5.05486059      0.847066104    
 H    7.12133884       4.76050472       1.76158929    
 H    7.47050095       4.38176394      0.297371805    
 O    2.60014915       5.79581165       2.72483015    
 H    3.01805139       6.39632082       2.08386254    
 H    2.08350754       6.34343815       3.31104898    
 O    2.71742916       2.04324961      -2.40321827    
 H    2.99255419       1.40226567      -1.73198462    
 H    3.48805952       2.59208798      -2.60848713    
 O    6.47887516       1.51320481       1.67912424    
 H    6.81079388       2.15679002       2.31749058    
 H    5.51622868       1.57565904       1.72362936    
 O    3.19522691     -0.156281263      -4.15448713    
 H    2.94906211     -0.874427974      -3.55794287    
 H    2.92506790      0.656917751      -3.71027827    
 O    4.91382504       6.28923607      -2.78450489    
 H    4.02769852       6.22734928      -2.40168238    
 H    5.44842911       6.70549250      -2.09829879    
 O    5.04689217       3.53868866      -2.62824106    
 H    4.95344067       3.60402155      -1.66515017    
 H    5.09354115       4.45612621      -2.92872477    
 O    6.83768082       1.45467436      -2.64889908    
 H    6.23071623       2.20520735      -2.73921037    
 H    6.63268137      0.845241606      -3.36821008    
 O    7.04633284       3.75846887       3.35513854    
 H    7.50229311       3.83982706       4.18820763    
 H    6.09196091       3.81973028       3.54446530    
          69
 Energy    -247.94961857913358     
  O     12.19426938     10.20116495    -15.69637923
  H     12.70574013     11.00604438    -15.83671702
  H     20.07253241      8.88617573    -14.13483947
  O     16.49526564      7.16953391    -13.06535085
  H     12.68684516      9.49089374    -16.13135735
  H     16.60532790     11.18969985    -17.04057436
  O     16.68651150     10.85098216    -11.58438716
  H     17.25362753      7.57609339    -12.62762475
  H     15.82864838     10.29786356    -18.01812559
  O     17.69213080     10.78790133    -15.64947098
  H     15.79691333      7.14143887    -12.39817574
  H     14.97604875      8.83654071    -15.36233843
  O     13.49649217      5.67883438    -15.37635196
  H     16.12085613     11.20283654    -12.28659063
  H     15.90192224      8.46589008    -14.16137130
  O     14.58853514      9.93998498     -9.90884608
  H     16.07797578     10.58593229    -10.88310934
  H     11.60318493      9.57828051    -14.19891488
  O     14.83516834     11.54071229    -13.57987117
  H     18.07812814     11.23903149    -14.88610273
  H     10.36249801      9.15985090    -13.37668813
  O     17.80468874      6.74441396    -17.29824071
  H     16.97484139     10.22693507    -15.31556942
  H     17.79698210      6.09281442     -9.41274835
  O     14.74015452      7.28989977    -10.88424795
  H     13.29973573      6.07337524    -14.50615610
  H     17.68181236      7.39609739    -10.21784124
  O     19.36804235      8.58318766    -15.69608747
  H     12.88294312      4.95909667    -15.49461568
  H     13.44911476      6.95104725    -12.21807921
  O     16.33149317      5.63274705    -15.35529163
  H     14.35361146     10.17514275     -9.01544953
  H     12.37880347      7.66075254    -13.08947172
  O     20.39563406      9.16270684    -13.25829637
  H     13.90084483     10.31024940    -10.49288442
  H     18.21762800     11.51450057    -12.58698504
  O     15.85138977     11.18663461    -17.65045354
  H     14.57617836     12.05503520    -14.35205673
  H     19.48742403     10.90151325    -13.20854755
  O     15.60761523      9.19128010    -14.72628633
  H     15.02825725     10.65400403    -13.92477748
  H     17.78592877      9.36797674    -11.52538845
  O     11.31554434      9.18625731    -13.35438993
  H     18.34232602      6.06091281    -17.69036764
  H     19.11379034      8.72675931    -12.02966354
  O     17.18084841      6.77652266     -9.66401333
  H     17.27782119      6.31665330    -16.59774591
  H     15.95562609      8.21897075    -19.45685333
  O     12.93279334      6.87223703    -13.02925802
  H     14.61822812      8.19540738    -10.56993675
  H     16.61476636      7.85285393    -18.11026992
  O     18.86929052     11.63828561    -13.28795710
  H     15.49339616      6.94826892    -10.38043471
  H     13.48115809     11.23213225    -12.37787201
  O     18.32235118      8.56226725    -11.50124538
  H     18.90619943      7.91717794    -16.21346101
  H     12.25411140     10.31817391    -12.19842682
  O     15.90700382      8.37779494    -18.51676292
  H     18.85030686      9.39581406    -15.79854569
  H     14.60807947     12.00236391    -16.71441821
  O     12.85959055     10.89446151    -11.71719846
  H     15.37563355      5.51920812    -15.41221614
  H     13.75897017     13.27621532    -16.51375228
  O     13.95565603     12.42612541    -16.12924283
  H     16.48688439      6.07625443    -14.50891495
  H     14.46141259      8.14060843    -17.36880912
  O     13.82158916      8.15649947    -16.64645492
  H     21.34746680      9.12266666    -13.29173432
  H     13.69047589      7.25392943    -16.32777568
          69
 Energy    -247.94941085533662     
  O      1.36744462      2.25160188      2.52068761
  H      0.47135125      2.23575838      2.88265746
  H      1.32280141     -4.35631758      1.59371543
  O      1.06549045      3.12475294     -0.03121493
  H      1.80268283      1.43336388      2.78692268
  H     -4.51528966      1.62027770      4.56108071
  O     -1.09411368     -2.07894882      4.36866931
  H      1.24237520      2.82712542      0.87964742
  H     -3.97740339      0.33823834      3.88659346
  O      0.62309661     -3.71893453     -2.64521899
  H      1.55400753      3.93380932     -0.15574398
  H     -2.87249306     -0.35476584     -0.24217802
  O     -2.44818864     -1.04056164     -3.62878022
  H     -1.38435966     -1.50685811      5.09240122
  H     -2.91807652     -1.82289770      0.30802127
  O      0.42201778     -1.14673593     -3.45979058
  H     -1.03242850     -1.51867805      3.57917522
  H     -2.38185849     -3.57941363     -1.44167756
  O     -1.41305439      2.10393565      3.02097910
  H      1.13527048     -4.22355390     -3.27105288
  H     -1.29866202     -3.68615989     -2.52877376
  O     -2.99062297     -3.64862896      3.18748036
  H      0.63189343     -2.79506281     -2.95522182
  H     -1.08827415      0.43693529      2.45102473
  O     -2.04943076      0.68684951     -1.45791880
  H     -2.45834017     -1.90941374     -3.18854960
  H     -1.80120186     -0.63526616      1.58304328
  O      0.75380086      0.66539537     -1.34506937
  H     -3.05945827     -1.09446494     -4.35824521
  H      0.88309043     -2.64928578      0.34980311
  O     -4.37566287     -1.07486219      2.96156234
  H     -0.51331969     -1.02397557     -3.66323210
  H      0.65663640     -3.67231645     -0.80061477
  O      1.73497553     -4.64328922      2.42297732
  H      0.64881350     -0.46124366     -2.81664650
  H      0.75178687     -2.37090059      4.34365006
  O     -3.71532640      1.12950994      4.39144445
  H     -1.65920213      2.43564558      2.14117216
  H      1.78240298     -3.23228472      3.58978330
  O     -3.21067476     -0.91453765      0.46903785
  H     -2.22291201      1.90006637      3.50218870
  H      0.45335132     -0.79143081      1.25764228
  O     -2.22443557     -3.45236512     -2.38576467
  H     -2.28209545     -3.18835199      3.66957577
  H      1.98084688     -0.75117782      1.44394312
  O     -1.02261458     -0.47244978      2.13050541
  H     -3.23425486     -4.40406261      3.71671321
  H     -1.52539652      0.42950928      6.71014466
  O      0.56040694     -3.54129151      0.15094376
  H     -2.28593508      0.20859420     -2.26262471
  H     -2.62378326      0.30396210      5.64378454
  O      1.68940276     -2.42974569      4.12193172
  H     -1.08292897      0.66752265     -1.40624533
  H      3.69788517     -0.17031950      3.30392359
  O      1.29371415     -0.97168688      0.80484868
  H      0.93686415      1.55707904     -1.02426114
  H      2.40161848     -0.98771270      3.50000900
  O     -2.00703089     -0.20827751      6.18754999
  H      1.01255936      0.06384631     -0.63158232
  H     -2.50851497     -3.67601407      1.35338430
  O      2.77859482     -0.20719342      3.05383209
  H     -4.14720876     -0.92788244      2.03178955
  H     -1.26205925     -3.55117187      0.42815356
  O     -2.22917022     -3.51279061      0.44418578
  H     -4.06396263     -1.96525883      3.15442603
  H     -2.04449560      2.19864337     -0.25574178
  O     -1.76794350      2.84492467      0.40522310
  H      1.99276163     -5.55165336      2.28869048
  H     -0.85519504      3.06855213      0.18256223
          69
 Energy    -247.94925741862099     
  O     11.91346807      6.25824865    -14.62797286
  H     12.42801653      5.91056720    -15.36742991
  H     14.12715871     11.46551397    -11.23040323
  O     16.89912021      6.98086431    -14.47366216
  H     12.11871894      7.20047527    -14.58217856
  H     17.18634917      7.94569947    -11.75372918
  O     18.77418862     10.66139240    -15.14008543
  H     16.23465703      7.19265353    -15.14036260
  H     17.32354942      9.36573237    -12.35088690
  O     13.78386416      5.18181457    -16.52150362
  H     16.81480237      7.65404339    -13.78327400
  H     11.57273136      4.01006089    -12.42545818
  O     15.93939343      6.72142727     -9.04319521
  H     19.18929395     11.20629397    -15.80333462
  H     12.14118843      5.16368662    -13.28538227
  O     16.52318242      4.93076605    -12.67081072
  H     17.85540799     10.51883089    -15.42992555
  H     17.47384659      6.55198601    -10.13769007
  O     14.00572371      8.43899913    -11.89811772
  H     14.12380740      4.63376503    -15.79190061
  H     17.71331546      5.83417198    -11.48880449
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  H     13.67516676      4.60275643    -17.27114664
  H     13.79566469      3.83774075    -13.72483337
  O     14.05733252     11.49921694    -14.45808683
  H     15.80763167      6.23333816     -8.23336852
  H     15.32426383      3.96773030    -13.82921055
  O     14.86604553      7.75825741    -16.20497737
  H     15.31956148      6.35257411     -9.69454832
  H     17.60935371     12.22842136     -9.84250020
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  H     16.67204733      5.58226699    -13.37525062
  H     17.79756398     11.25580711    -11.02676224
  O     14.75229937     11.86175813    -11.84995292
  H     15.76709073      5.24035273    -12.15234424
  H     19.57121200      7.59444763    -11.50042873
  O     16.70666045      8.63354347    -12.23671756
  H     13.65301698      9.06228250    -11.25188725
  H     20.04348534      8.04367223    -12.90100254
  O     12.36748157      4.50597060    -12.60278593
  H     14.95267876      8.62363737    -12.00550591
  H     16.25420043     10.12550383     -9.36026900
  O     18.04344392      6.54085868    -10.91688053
  H     18.72637489      7.45617494    -14.73342398
  H     15.82815000      8.67639094     -8.96222930
  O     14.53560199      3.73965635    -14.33651232
  H     19.39420724      8.82201491    -14.93880142
  H     13.20523542      9.80024447    -14.53094484
  O     17.17417657     11.53677324    -10.33524664
  H     13.68887396     12.32590514    -14.75960175
  H     13.32525411      8.64812033    -13.52346452
  O     20.08752784      8.26773762    -11.95805876
  H     14.33345411     11.63947046    -13.53549710
  H     14.14760734      6.75796275    -11.40805073
  O     15.59243109      9.60761855     -8.88438618
  H     14.53706090      6.89043300    -16.47031044
  H     13.61636894      5.30741153    -11.49118445
  O     13.01739676      8.86104304    -14.41795452
  H     14.20030216      8.12782732    -15.60619316
  H     14.04733906     10.09121313     -9.47984540
  O     14.31609882      5.85055564    -11.10854946
  H     18.78202874     10.73946807    -13.29351324
  H     12.55220520     10.48444502     -9.34824894
  O     13.24653710     10.33191834     -9.98228355
  H     19.30336067      9.83636590    -12.13081438
  H     15.82578942      9.40957673    -16.14784259
  O     16.20357039     10.24931894    -15.86001636
  H     15.60489981     11.83711863    -11.40025378
  H     15.49827200     10.71854379    -15.39788449
          69
 Energy    -247.94918850805917     
  O     -1.62351541      4.92213707      4.10580987
  H     -1.63148671      4.22503420      4.78659134
  H     -1.99370731     -3.44540766      2.36208767
  O     -1.73458678      3.58388876      1.59602686
  H     -2.03112850      5.68981817      4.49739503
  H      0.18105092      2.33427896      3.34045877
  O     -1.34268324      2.97328567      6.00498501
  H     -1.40174495      2.78337900      2.02999856
  H     -0.79795191      1.19965067      3.78158262
  O      1.14985363     -3.69290882      1.95212932
  H     -1.84593693      4.21575238      2.31428056
  H     -2.89076467     -0.49737623      0.74598391
  O      0.40037888      0.35655973      0.78873701
  H     -1.49044346      2.03160386      5.84800585
  H     -3.70172956      0.78799614      0.95955185
  O     -1.55596357     -1.06885433     -0.45512922
  H     -0.41856105      3.05014795      6.27518314
  H     -2.19126945     -0.19371636      4.79151793
  O     -3.65845871      2.33427594     -0.02719850
  H      0.93539412     -3.90299421      2.86923219
  H     -0.66682669     -0.31584390      5.10831017
  O     -1.71789106      1.28395322     -1.94198101
  H      1.65204139     -2.86740941      1.98173242
  H     -0.73565043     -3.79480611      4.21750157
  O      0.14386513      2.87713685     -0.41396426
  H      0.49595294      1.14524959      0.24253017
  H      0.03017693     -4.69801008      5.21688780
  O      2.19533474     -1.10353770      2.22671849
  H      0.09178776      0.69429587      1.64536076
  H     -1.32465207     -4.49338712      0.16044235
  O     -3.55333889     -1.00522298      3.85860494
  H     -1.48713595     -2.00136036     -0.21854390
  H     -0.32552135     -3.67587673      1.01005902
  O     -2.15970805     -3.41620495      3.31158942
  H     -0.82882347     -0.62040424      0.00688308
  H      1.87400515      2.36211710      6.07853327
  O     -0.39465732      1.63015458      3.01857681
  H     -3.10638345      2.07140979     -0.77255723
  H      2.00410257      3.48445451      7.13658223
  O     -3.49146213     -0.06446864      1.36338528
  H     -3.09259549      2.88662369      0.52999652
  H      4.70758247      1.32829535      2.63788127
  O     -1.43614861      0.26693418      5.18138134
  H     -1.71317298      0.40727258     -1.52379407
  H      3.30078407      1.83752809      2.25612266
  O      0.13313334     -3.95334272      4.63138319
  H     -1.87728747      1.13791247     -2.87160363
  H      0.67272913     -2.19209884      4.84147957
  O     -1.20494190     -3.65076019      0.59170183
  H     -0.46981127      3.27551912      0.22031877
  H      1.27442337     -1.18537641      3.83951664
  O      1.48401028      3.19959390      6.39062385
  H     -0.41546166      2.46253008     -1.08315906
  H      1.97865987      0.15810767      5.26054653
  O      3.77766459      1.16032557      2.76754608
  H      2.88431714     -0.45395732      2.40948976
  H      2.98922656      1.04709471      4.49696683
  O      0.87176483     -1.25595266      4.71664052
  H      1.59020831     -0.66364577      1.61036040
  H      1.30014906      3.83715125      4.65113987
  O      2.51133445      0.96036153      5.33085517
  H     -3.55489019     -0.62896047      2.95839001
  H      0.19447750      4.48216509      3.78270782
  O      1.03544892      4.00933611      3.73806104
  H     -4.46130831     -1.02371822      4.14950028
  H      1.96528554      3.57310675      2.20484107
  O      2.39761015      3.12184822      1.46512423
  H     -2.67031896     -2.61625878      3.48626299
  H      1.77044495      3.13433752      0.73490195
          69
 Energy    -247.94914052728419     
  O     -9.22251764      0.33702361      5.71322675
  H    -10.03754698      0.81362437      5.51260061
  H     -4.50652417     -0.45582760      3.12110820
  O     -8.92372431      0.73984272      0.90403240
  H     -8.59785722      1.01787417      6.00629429
  H     -5.89847595     -0.60241970      4.60204919
  O     -8.55044138     -0.57107984      3.18322489
  H     -8.87686576      0.22051829      1.72898984
  H     -6.80533607      0.12260738      3.59357057
  O     -5.18410560      2.60061613      0.53691387
  H     -9.81387251      0.66340916      0.57322738
  H     -6.87781275     -0.47715904      7.72573900
  O     -9.92551499      3.90142592      6.84197677
  H     -8.82365849     -0.36455642      4.08655359
  H     -8.11201640     -0.80810227      6.85290483
  O     -4.45875263      2.39970415      4.66222851
  H     -8.15324094     -1.45540039      3.15441657
  H     -3.09470553     -1.39431092      4.38943200
  O     -9.99411728      3.81697360      3.21803817
  H     -4.44148747      2.36179998      1.11911848
  H     -2.13333947     -2.10434597      5.36847125
  O    -11.26950560      2.14947185      4.98041352
  H     -4.82899971      3.17168223     -0.13928942
  H     -9.06054535      6.60725339      5.32034820
  O     -7.60153886      2.37391646      6.66288407
  H     -9.12363905      3.37264934      6.96728086
  H     -9.30418043      5.14807563      5.77809548
  O     -3.20646516      1.84734726      2.22198488
  H    -10.53165039      3.32856392      6.35736804
  H     -6.46268995     -2.79380010      2.31589103
  O     -6.31193543      0.00976667      0.07010027
  H     -5.06722294      3.14828049      4.66575594
  H     -6.60011248     -2.83513239      3.85642849
  O     -3.71610093     -0.89099189      2.76469167
  H     -5.01101418      1.62479305      4.46374812
  H     -5.61401291     -1.50510661      0.55683543
  O     -5.95007810      0.17874028      4.03274643
  H     -9.71186547      4.56996274      3.75311690
  H     -5.09025019     -2.90065661      0.14356100
  O     -7.35022792     -1.20130212      7.29606498
  H     -9.21336856      3.55502051      2.71594687
  H     -4.79097241     -2.18653495      5.60047152
  O     -2.93962567     -1.59603609      5.32731482
  H    -12.19684584      2.11080530      4.76162898
  H     -6.25394277     -2.00537414      6.16296561
  O     -8.91142659      5.69826827      5.07627083
  H    -10.84331989      2.69622222      4.29690171
  H     -3.27730070     -0.00432008      6.32967139
  O     -7.10378858     -2.88009180      3.03081264
  H     -7.18317624      2.86516493      5.94428692
  H     -3.73346393      1.45235254      6.07136787
  O     -5.21309296     -2.32673312      0.89485051
  H     -6.91562954      2.00258694      7.23065399
  H     -4.96546635      0.90077688      7.78731435
  O     -5.72703222     -2.26333532      5.39004221
  H     -3.48863437      2.16291483      3.09227554
  H     -5.55310403      1.15546535      9.19605063
  O     -3.57421825      0.80058412      6.76895079
  H     -3.16415905      0.88584189      2.29563827
  H     -6.72754648      2.92290653      1.53672350
  O     -5.79517204      0.99425491      8.28807681
  H     -7.24686105      0.18705554      0.23024561
  H     -8.06426630      2.17650359      1.64720883
  O     -7.55449101      2.90050438      2.03552223
  H     -5.86679647      0.86106763      0.15704781
  H     -7.01678721      3.56776512      3.67607221
  O     -6.73576451      3.97059542      4.51035931
  H     -4.04751078     -1.48883461      2.08348053
  H     -7.36108249      4.68104854      4.69752975
          69
 Energy    -247.94913629924037     
  O     13.93915017     12.03775328    -13.03388891
  H     14.78135932     12.42219786    -13.30494621
  H     19.08806011      6.30656793    -15.16984917
  O     14.50674536      6.61506671    -13.67814298
  H     13.65163100     11.51447974    -13.79504667
  H     16.20057494     11.35717885    -16.96018192
  O     18.68560747      7.93983091    -12.10338357
  H     13.89501355      6.80260122    -14.40306654
  H     16.81868857     11.96541791    -15.66818782
  O     18.94055459      9.60802125    -16.66094402
  H     14.08056701      6.93918199    -12.87175312
  H     15.42438980      8.05785694    -14.22635812
  O     12.70142642      7.71170401    -15.51863385
  H     18.69481822      7.88821604    -11.13952176
  H     16.29004412      8.43156090    -15.45061076
  O     15.81869135      8.80047328     -9.00935436
  H     18.09376342      7.23650294    -12.40833182
  H     17.32903200      6.11264761     -9.88060017
  O     13.27162496      7.79057322    -11.49723033
  H     19.59488398      9.92210396    -17.28010444
  H     16.83897174      5.44122727    -11.18048321
  O     17.25147532     10.18981224    -12.80793939
  H     18.28274370     10.32035648    -16.57092693
  H     11.76200424      7.67081079    -12.56765773
  O     14.43961873      8.12787102    -17.81068701
  H     12.91360886      8.65411438    -15.45155825
  H     10.30840049      8.00493323    -12.93063873
  O     14.29515215      6.38153473     -9.31056156
  H     12.00443365      7.56814478    -14.86237351
  H     19.61331759      7.95343909    -13.75184691
  O     17.04725918      7.54096372    -16.87074653
  H     15.45545504      9.37116625     -9.69934287
  H     19.60037061      8.50787131    -15.20805936
  O     18.50069449      5.57283054    -15.43081108
  H     15.22824215      8.03853384     -8.96202198
  H     16.14132281      5.99074350    -13.25638744
  O     17.02949209     11.50468251    -16.48875620
  H     13.51161299      7.27236903    -10.71834712
  H     17.52731017      5.57994435    -13.81536035
  O     15.87401822      8.79536614    -14.66015858
  H     13.76619800      8.62143827    -11.45133235
  H     17.43854656      8.17084315     -9.19271859
  O     16.68503681      5.48313178    -10.22751895
  H     16.77895105      9.74575606    -13.53187164
  H     18.80517877      7.82189558     -8.55585732
  O     11.08835151      7.56176676    -13.25645812
  H     17.86678105      9.52943692    -12.46786089
  H     14.54612072      9.87565174    -17.92709884
  O     19.88125973      7.76431246    -14.66086669
  H     15.31316117      7.78625001    -17.57730754
  H     14.23935904     11.19832247    -18.66857838
  O     17.05849411      5.80945780    -13.00441145
  H     13.82196147      7.80521158    -17.14309183
  H     15.72380372     10.05778383    -11.73921398
  O     18.28293150      7.70941370     -9.34532692
  H     13.92768006      5.77006014     -8.67832790
  H     14.38839302     10.80857982    -11.77296693
  O     14.60354461     10.84614314    -17.86103340
  H     15.11682263      5.98007610     -9.64650862
  H     16.95838775     11.83308185    -13.42776872
  O     14.85004166     10.08329611    -11.32825476
  H     17.45755052      6.76568427    -16.46748275
  H     17.18405066     13.35718243    -13.54312633
  O     16.65311274     12.63889314    -13.87933169
  H     17.74047328      8.21035202    -16.95457365
  H     13.81339937     10.69299078    -16.15411242
  O     13.65317808     10.35558393    -15.26440893
  H     19.05910798      4.86366381    -15.73791016
  H     14.46508547      9.88450843    -15.01936570
          69
 Energy    -247.94896465276790     
  O     11.46093756      8.44248393    -15.03304354
  H     11.90209549      8.48440274    -15.88948983
  H     17.28336309      5.75063779    -15.41194464
  O     17.14681102      7.84580741    -13.08946173
  H     11.27834532      9.35999503    -14.79617828
  H     13.15921188     10.66171400    -16.88432510
  O     15.65463298     11.88566871    -12.37520754
  H     17.52440961      8.69142034    -12.81945268
  H     14.09975825     11.63967748    -16.12775831
  O     15.76572218     11.52108792    -15.16473247
  H     16.65569550      7.47523942    -12.34335700
  H     15.79093501      8.49479410    -14.07200569
  O     15.48063061      5.06757949    -15.74090456
  H     15.76728919     11.97585238    -11.41753799
  H     15.00618615      8.40297959    -15.40237849
  O     14.28840664      9.50876405     -8.74907113
  H     14.84635743     11.36582911    -12.49334712
  H     11.72042374      7.33488099    -13.69600859
  O     15.53788845      6.80663699    -11.10720086
  H     15.72655647     11.91284338    -14.28160922
  H     11.05717595      6.19509005    -12.89346724
  O     13.45487360     10.27547398    -12.85066853
  H     15.55361713     10.58158382    -15.04002245
  H     18.44595154     10.25860851    -10.87649356
  O     17.69733027      8.46124218    -16.91879677
  H     15.38976281      4.14612307    -15.96834446
  H     19.37452656     10.35561928     -9.64737171
  O     16.76222904      8.04680158     -8.99015539
  H     15.08563475      5.17720953    -14.85737644
  H     14.86297610      5.73109949    -12.52527331
  O     18.43788928     10.88956123    -15.41563709
  H     13.80994126      9.07418239     -9.47301036
  H     13.49628793      5.84057052    -13.22690149
  O     18.05612030      6.29866881    -15.23346111
  H     13.69259652      9.52776262     -8.00356447
  H     18.36049364     10.58920008    -13.52738381
  O     13.19222607     11.51396945    -16.43041944
  H     14.71672174      7.31457836    -11.07259837
  H     17.21489766     10.95626259    -12.54658391
  O     15.07453637      8.90021784    -14.58012719
  H     16.04647521      7.07028778    -10.32640454
  H     16.87873146     11.21520718     -9.59571395
  O     11.84236105      6.73530572    -12.93913996
  H     12.69844737     10.67141079    -13.29942177
  H     15.38129826     10.98938714     -9.32054653
  O     18.47725533     10.16525758     -9.91058190
  H     13.91721456      9.71843163    -13.49772260
  H     15.21723270      6.63126791    -16.67643159
  O     14.36997290      5.43866916    -13.30185663
  H     18.02537555      9.23598060    -16.45403451
  H     16.03382959      7.89233847    -17.11341553
  O     18.04260646     10.45774177    -12.62614207
  H     17.96888817      7.69560020    -16.38732765
  H     13.25656277      9.09053271    -11.56858333
  O     16.01186825     11.63380027     -9.66489245
  H     15.96876736      8.54662895     -8.75990314
  H     12.60032948      7.70645147    -11.49181582
  O     15.13760721      7.53020523    -17.02135416
  H     17.41657864      8.70225086     -9.26104513
  H     11.99036766     11.43260852    -15.18299381
  O     13.14499338      8.32204010    -10.98682671
  H     17.52286277     11.21532579    -15.45105176
  H     10.73448692     11.94071320    -14.43038137
  O     11.38045969     11.24063750    -14.44684819
  H     18.96964144     11.51289040    -15.90566280
  H     13.67596978      8.37063551    -17.43042680
  O     12.85504597      8.88591382    -17.51400719
  H     17.84466988      6.77877408    -14.41974594
  H     12.51673751      8.72072319    -18.39057919
          69
 Energy    -247.94895853837858     
  O     11.28591908     10.47986707     -9.67235205
  H     12.19899185     10.53290822     -9.99830504
  H     17.44551289     10.31779156    -12.70377233
  O     12.53228256      8.81867086    -16.20068477
  H     10.74467452     10.21786903    -10.42609765
  H     17.20962787      7.81720556    -13.40465449
  O     13.47580366      7.54082825     -9.65430569
  H     12.59633032      8.77673009    -17.15090966
  H     15.88046769      8.60579196    -13.45761544
  O     14.22826463      8.78475036    -14.00413817
  H     11.90259868      9.53265194    -15.99362456
  H     11.55895532     15.10348547    -11.23420514
  O     13.69135779     12.08208786     -7.01065419
  H     14.40852137      7.74766641     -9.77975933
  H     11.86762196     13.85269498    -10.38501546
  O     10.66936729     10.67510753    -15.50874438
  H     13.20830521      8.05458049     -8.87876522
  H     16.17658102      8.68494533    -11.25005140
  O     12.37541723      7.96761751    -12.16205132
  H     13.74827004      8.75982927    -14.84169597
  H     15.10323105      9.49084249    -10.45910432
  O     13.89369049     10.84266822    -10.65296396
  H     13.62023285      8.47111892    -13.31510432
  H     16.64429449     13.65389598    -14.15156269
  O     12.72387865      9.33648870     -7.60352458
  H     13.98979574     12.44655192     -6.18092604
  H     16.76980836     12.50042067    -13.12488488
  O     14.84996527     14.19972660    -11.15631122
  H     14.37596495     12.29350400     -7.66778213
  H      9.66602601      9.52291076    -12.78889566
  O     11.34605118     12.23672930    -13.20884317
  H      9.93783122     10.13365455    -15.18464796
  H     10.60993557     10.72217314    -12.49822100
  O     17.68499123     11.21161349    -12.42887970
  H     10.82630667     11.34626764    -14.83311464
  H     15.32211645     13.27214101     -9.73662029
  O     16.75729953      8.57296885    -13.03815888
  H     11.67958095      8.63284590    -12.07908153
  H     16.27020793     12.13441500     -9.20816898
  O     11.96862040     14.24235404    -11.27240914
  H     12.68990439      7.75426654    -11.27167784
  H     14.71586956     12.03642776    -13.55279057
  O     15.87500887      8.90910196    -10.36119431
  H     13.90794172     11.14805327    -11.56860102
  H     14.13405705     10.57860698    -13.68328408
  O     16.15494525     13.15459828    -13.50375512
  H     14.33028589     11.51420105    -10.11403981
  H      9.54722269      8.08467058    -14.39102807
  O     10.28594749      9.88091176    -12.14413987
  H     13.12670490     10.14840080     -7.27913931
  H      8.02670799      8.37285728    -14.45719194
  O     15.44266664     12.60169446     -9.04541416
  H     12.02357947      9.64191244     -8.19890506
  H     17.03577318     10.10700589     -9.75143597
  O     13.94789398     11.47731196    -13.38303775
  H     13.89627407     14.23818332    -11.30076237
  H     18.29531260     10.58012969     -8.98614050
  O      8.87458455      8.78599755    -14.32124469
  H     15.25752426     13.94820886    -11.99279361
  H     11.36427869     12.19418635     -9.10277621
  O     17.61630064     10.87141329     -9.58938756
  H     11.39486567     12.96609022    -12.58033903
  H     12.30841285     12.89565092     -8.12769339
  O     11.68939215     13.06986964     -8.84454109
  H     12.26837930     11.97270061    -13.35528505
  H     11.54250341      7.50582687    -15.13647099
  O     10.99086303      7.08071426    -14.46888942
  H     17.77149523     11.18125105    -11.46840954
  H     11.46979351      7.17355311    -13.63357736
          69
 Energy    -247.94853167403079     
  O     14.27903294      4.87177047    -16.59469611
  H     14.96185252      4.29186487    -16.94997297
  H     19.56324078      5.21133463    -15.45590059
  O     17.86027725      6.56269797    -11.70695142
  H     14.24158595      4.70595113    -15.64270858
  H     19.11626425      8.28015854    -17.23111169
  O     19.78719264      6.76560255    -18.05968838
  H     18.71680033      6.78659900    -12.08953814
  H     18.06893491      8.16447565    -16.10559616
  O     17.02795271      6.13792267    -18.62985383
  H     17.23953389      7.23482042    -12.02975689
  H     16.15283475      7.16304019    -15.81228942
  O     13.38201121      6.38881702    -10.28507507
  H     20.53114682      6.61812462    -18.63693057
  H     16.71069922      7.43980032    -14.39091596
  O     14.35934332      4.62722181    -13.78957376
  H     20.03474045      6.41578441    -17.18440083
  H     13.06842046      8.13825004    -14.40988092
  O     16.10378210      8.28770489    -12.87835831
  H     16.43155140      6.81117217    -18.29182165
  H     12.01676710      8.80792927    -15.30910900
  O     17.88577842      4.45149001    -15.39051628
  H     17.93170232      6.43409064    -18.46054208
  H     16.32522180      2.15127394    -10.39192599
  O     13.24266924      3.72103329    -11.43642889
  H     12.96591470      6.69962514     -9.48556139
  H     16.32530615      3.27747140    -11.45178786
  O     19.15972801      9.76532798    -14.09210260
  H     14.31268420      6.20598566    -10.06314800
  H     14.55968870      6.56736777    -16.95612022
  O     16.59216445      3.61243868    -17.73100197
  H     15.28221498      4.50641383    -13.53335537
  H     14.11347929      7.94995862    -16.43971178
  O     20.29037280      5.84308215    -15.55050637
  H     13.83388926      4.21242639    -13.08943734
  H     21.00883775      7.61374776    -12.69722775
  O     18.58449221      8.80447461    -16.62291758
  H     16.13223227      9.19991348    -13.19396683
  H     19.81860038      8.29048251    -13.41069296
  O     16.92216158      7.03318126    -15.23995707
  H     15.18399681      7.99100770    -12.87583804
  H     17.32173005      4.98800845    -12.43627837
  O     12.94827154      8.60879212    -15.24947307
  H     17.49764183      4.02773984    -16.16497059
  H     17.38875626      4.09689884    -13.70937965
  O     15.89509708      2.96650629    -10.63597635
  H     17.53582303      5.35770540    -15.36020299
  H     15.98009024      4.73335501     -9.90010939
  O     14.79935160      7.50918900    -16.96440373
  H     14.05488701      3.33798243    -11.07982695
  H     16.70033918      6.04224715    -10.28174028
  O     20.16698008      7.43271108    -13.10927874
  H     13.13447086      4.56574175    -10.98278658
  H     13.83043976      6.30242132    -13.34273194
  O     16.99361064      4.16669550    -12.82983150
  H     19.12819013      9.54849303    -15.03546642
  H     13.39147549      6.99798004    -12.03158497
  O     15.96068440      5.69025514     -9.77086854
  H     18.32796003     10.21654039    -13.91460488
  H     16.10370475     11.67119385    -13.87220381
  O     13.57719709      7.15845306    -12.96558123
  H     16.74804246      4.48197302    -18.14288441
  H     16.25257033     10.59992593    -14.97530010
  O     16.42743088     10.78974726    -14.03682825
  H     16.62286372      2.96533496    -18.43006611
  H     15.57687672      9.35646848    -16.90228741
  O     16.13607567     10.10541601    -16.67050702
  H     20.28994529      6.36993577    -14.74353405
  H     17.04292870      9.80071194    -16.82161272
          69
 Energy    -247.94848297732773     
  O     17.92385088     10.14113462    -14.57351165
  H     18.25694549      9.28768674    -14.27499570
  H     15.66176256      5.08336773    -12.52921437
  O     16.02960854      3.82002062    -15.45403142
  H     17.40729060     10.48498750    -13.82982576
  H     13.04539531     10.11337188    -11.49495382
  O     12.44900970      7.94095702    -13.59428554
  H     15.25585310      4.28466819    -15.82371690
  H     12.58320468      8.74247242    -12.01213604
  O     11.62203819      7.00365502     -9.89599635
  H     16.14457223      3.02416632    -15.96607208
  H     15.59147509      7.61261667    -13.18617117
  O     13.93361137      5.31601552    -16.26978900
  H     13.39829361      8.14303425    -13.63150010
  H     15.50437359      9.15323389    -13.32855558
  O     16.22455286     10.50577908    -16.65744969
  H     12.38461698      6.97909111    -13.65346060
  H     19.60641731      7.28648019    -13.58647662
  O     17.40208950      6.31036081    -15.64654196
  H     12.34191952      6.69092777     -9.33415658
  H     18.27805445      7.06022750    -14.34997394
  O     13.96327630      5.91307558     -8.63597975
  H     11.91168689      7.85470155    -10.24710546
  H     12.19746100      8.73981646    -15.27765921
  O     15.11268626      7.94477650    -16.38524076
  H     14.22105461      6.22528924    -16.41587900
  H     13.17843663      8.69574837    -16.45284946
  O     11.05976840      4.82107823    -11.43860184
  H     13.30660536      5.32600376    -15.53452317
  H     13.23930335     10.66675452    -15.49929782
  O     13.62543169      3.95921873    -10.47361489
  H     16.62700545     11.05409298    -17.32560348
  H     14.68377823     11.17336742    -15.61184140
  O     15.10475265      4.35194836    -12.83523396
  H     16.88945743     10.38557434    -15.95572316
  H     11.95555923      4.97987834    -13.06246067
  O     12.85968894      9.21179014    -11.20900447
  H     17.04727197      5.41512405    -15.58333270
  H     13.45662988      4.91235933    -13.42902558
  O     15.15526575      8.32165738    -13.67335079
  H     16.70769597      6.84538589    -16.04746190
  H     13.22623468     12.56183494    -12.31413747
  O     18.68185955      7.52137543    -13.59143456
  H     14.06429293      5.53428289     -7.76721399
  H     13.62821031     11.57684532    -13.43549995
  O     12.40346472      9.16245016    -16.12357344
  H     13.90425225      5.16909118     -9.26269557
  H     16.20022763      7.07887571    -11.29949742
  O     13.86362796     11.30537279    -15.12546711
  H     15.48219528      8.77296129    -16.71786629
  H     17.36291586      6.93568252    -12.36385090
  O     12.58913173      5.18580158    -13.76149205
  H     15.10712755      8.05024842    -15.41918775
  H     16.53082009     10.52306714    -11.59519201
  O     13.58167364     11.69047061    -12.46758838
  H     11.18437932      5.63765839    -10.92318062
  H     15.35763043     11.14853068    -12.40983430
  O     16.54193017      6.54895347    -12.03283982
  H     10.17162910      4.52047617    -11.26560931
  H     16.33935055      9.29681636     -9.84135751
  O     16.19134108     10.66972960    -12.48948516
  H     12.72423758      4.08564802    -10.79532383
  H     17.21597939     10.28160289     -9.04481802
  O     16.96371722     10.03515899     -9.93058822
  H     14.19244099      3.95317681    -11.25630192
  H     14.79383708      7.28606699     -9.51019614
  O     15.13743368      7.98488141    -10.08133129
  H     15.48774601      4.03644697    -13.66224299
  H     14.37749428      8.41896785    -10.49484020
          69
 Energy    -247.94840123763194     
  O     11.92159718      9.43798108    -15.53763501
  H     12.24967425     10.34231752    -15.56760864
  H     16.66353300      5.98131095    -14.06371116
  O     16.23288193      6.94580869    -12.57908397
  H     12.56246336      8.89487322    -16.01939991
  H     17.35393909     10.65920844    -16.34160548
  O     16.04206565     11.17304403    -11.30880697
  H     15.50563551      6.83472739    -11.95236933
  H     16.33904224     11.73676133    -16.73171030
  O     15.51213020     13.13411518    -15.63200117
  H     16.82110667      7.62391855    -12.22448542
  H     14.79419496      8.50983472    -15.12770597
  O     14.01911674      5.20807710    -15.57241232
  H     15.64029756     10.89527305    -10.47351907
  H     15.46748451      8.11411818    -13.77238315
  O     14.54394886     10.03043819     -9.28215343
  H     15.31279681     11.16513901    -11.94753213
  H     10.05285616      8.02408325    -13.45381494
  O     14.07851998      6.82236665    -10.85911799
  H     15.83001913     13.98544182    -15.92376328
  H     11.30925455      8.61913760    -14.12914449
  O     13.93775356     10.85433100    -13.04388079
  H     16.08146021     12.86877954    -14.88779968
  H     18.14796382      8.35980727    -10.25260145
  O     18.41888083      7.39446336    -16.22143009
  H     13.59034141      5.42197116    -14.72400539
  H     19.04802066      7.74201792     -9.17225212
  O     15.57374448      7.43371181     -8.54411030
  H     13.62115667      4.39972464    -15.88447716
  H     12.15278471      6.63283059    -13.32156365
  O     17.85374554      9.65719119    -14.68200486
  H     13.75604453      9.79794635     -9.78894846
  H     13.22773286      6.04042293    -12.39140977
  O     16.77337170      5.65883866    -14.96975407
  H     14.88046389      9.19895469     -8.92822935
  H     16.90475670     12.07002058    -12.76815458
  O     16.86757949     11.01750337    -17.09280256
  H     14.53021534      6.89824578    -10.00980526
  H     17.60020741     11.45202894    -13.99678522
  O     15.23965362      8.85830866    -14.34505473
  H     13.58402043      7.64660103    -10.98227010
  H     17.22075432      9.85595923    -11.61862430
  O     10.99539088      8.12548257    -13.35027559
  H     13.48613630     11.39569979    -13.69849156
  H     18.08402003      9.28645037    -12.77237113
  O     18.13468307      7.89436057     -9.40183870
  H     14.37030385     10.13565715    -13.53399228
  H     16.39883154      9.36854943    -17.78021374
  O     12.81481542      5.93303637    -13.25630246
  H     19.16961824      6.92917224    -16.58020501
  H     17.00717120      7.99864311    -17.44825511
  O     17.18585204     12.26080709    -13.67193801
  H     17.85252002      6.72657499    -15.79318549
  H     13.07562941      9.82186897    -11.84889158
  O     17.83618673      9.14325685    -11.85267046
  H     15.58723311      7.09012096     -7.65432984
  H     11.93238773      8.80652727    -11.84879586
  O     16.25609107      8.41642866    -17.88381848
  H     16.50033803      7.56111223     -8.80979986
  H     12.32495214     12.89233676    -15.45909992
  O     12.63021507      9.16882660    -11.28888569
  H     16.90582675      9.45898378    -14.59726243
  H     13.81986285     12.51128045    -15.49675691
  O     12.93005258     12.16832748    -15.31466449
  H     18.22554283      8.92662329    -15.19437033
  H     14.70145102      8.00494538    -17.15545685
  O     13.93892124      7.83593401    -16.58005027
  H     15.88758035      5.41760350    -15.26443187
  H     13.93196593      6.89631341    -16.36002831
          69
 Energy    -247.94833075447252     
  O     13.59606021     12.86878805    -13.50576152
  H     13.85008689     12.81795668    -14.43551381
  H     16.51136139      6.49715241    -13.17027814
  O     14.78462271      6.71467067    -13.36736002
  H     14.28962466     12.41214152    -13.01100396
  H     16.86559031     10.02986714    -16.31128762
  O     18.25504934      9.19736877    -15.70904581
  H     14.16791426      6.93173585    -12.65451403
  H     15.59947885      9.86000756    -17.22942160
  O     12.56332483     10.53569562    -17.10627191
  H     14.29532520      6.19567183    -14.01699578
  H     14.85888856      8.42946474    -14.06816197
  O     14.86260271      9.36103442     -9.00833029
  H     18.34938900      9.31407038    -14.75209007
  H     15.20127669      9.61347186    -15.04354254
  O     12.94258800      7.36228192    -11.39658470
  H     18.21034886      8.24517413    -15.85471095
  H     10.59433027     12.29548314    -12.56555136
  O     15.29426233     11.05638744    -12.17288928
  H     12.19154913     10.20125851    -16.27861715
  H     12.09066430     12.20258801    -12.95904345
  O     15.24640532      6.62524858    -16.81908290
  H     13.04463926     11.33714274    -16.86769239
  H     17.27645550      7.82138098    -10.36183576
  O     14.62425059      6.53107399     -9.29273572
  H     14.09815365      9.70075811     -9.49187124
  H     17.33532199      6.58702411    -11.28186319
  O     17.81444633      6.36765467    -15.95055548
  H     14.72959153      8.40710672     -8.94195115
  H     11.47894038      7.92114906    -14.11903951
  O     13.12812448      5.50105313    -15.29387200
  H     12.89293465      8.31863670    -11.25775940
  H     11.78569858      7.02685539    -12.90570578
  O     17.47986695      6.43508762    -13.13575136
  H     13.40311861      6.99249161    -10.63271092
  H     18.05414730      8.19265995    -12.96662175
  O     15.99536033     10.39727351    -16.53271400
  H     15.21007388     10.43615719    -12.91543873
  H     18.00900876      9.44249726    -12.07520000
  O     14.71663040      9.36732372    -14.24643268
  H     16.03891853     10.76635889    -11.63990711
  H     16.36951262      9.70839513     -9.80569338
  O     11.32250882     11.68672527    -12.65047494
  H     14.91569267      7.36281895    -17.34582641
  H     17.78437762     10.33159902     -9.74495498
  O     17.08267617      6.87908218    -10.39549777
  H     14.47718405      6.22801227    -16.39360996
  H     13.65332419      9.42623591    -17.90122738
  O     11.44395927      7.00529415    -13.80851820
  H     15.51257414      6.56060403     -9.69167349
  H     14.25190650      8.90187029    -19.22708543
  O     18.29837865      9.12900845    -12.93521561
  H     14.63262545      5.82472219     -8.65257078
  H     12.25489624     10.62953767    -11.36715497
  O     17.18858663      9.85028066    -10.31493819
  H     18.26759728      5.78594064    -16.55528109
  H     13.78378756     10.46624884    -11.35766674
  O     14.37211137      8.88981985    -18.28121703
  H     16.89620694      6.43793504    -16.26736917
  H     15.04834471     11.87248423    -16.31027045
  O     12.96874132     10.13075060    -10.95448225
  H     12.78233833      4.61767195    -15.38984400
  H     14.73405296     13.32636059    -16.72587774
  O     14.39365768     12.58745264    -16.22702820
  H     12.44342799      6.01925908    -14.83348607
  H     12.90890921      9.59027331    -14.39352350
  O     11.95031537      9.65843775    -14.52168479
  H     17.75376782      6.29354476    -14.04953215
  H     11.63038663     10.33135305    -13.90908644
          69
 Energy    -247.94829502438208     
  O     12.27057738     10.58002716    -14.29641413
  H     12.89316223     11.30472080    -14.16453417
  H     20.19606904      6.69897483    -15.22071675
  O     15.88407416      6.07793722    -13.63987162
  H     12.59933580     10.07056140    -15.04872115
  H     16.53952767     12.13651566    -16.28521257
  O     18.23788292     10.02676149    -11.92180651
  H     15.21272040      5.83897193    -12.98795776
  H     15.17091415     11.88093798    -16.95159472
  O     18.30041827     11.58528641    -16.55837218
  H     16.66824519      6.36800027    -13.15633385
  H     15.64485429      7.74699976    -14.33953712
  O     12.64075559      6.36240922    -16.31784671
  H     18.37429529     10.32383107    -11.02567600
  H     16.42647063      8.42735157    -15.47087049
  O     13.89953417      5.74765064    -11.73928954
  H     17.31944838     10.24404203    -12.15748845
  H     10.82642314      9.19310162    -11.86017489
  O     15.68624130     10.39268551    -12.76271337
  H     18.66261771     11.05099490    -15.83020258
  H     11.83808552      9.56209376    -12.97297629
  O     17.09200985      9.65496384    -18.27976838
  H     18.99918616     12.17179041    -16.83726981
  H     17.12699058      7.10580576    -10.75874970
  O     15.25137126      4.77658963     -9.54703259
  H     11.98942558      5.81899636    -16.75299188
  H     15.77479012      7.71631814    -10.32481258
  O     17.50678108      7.47727564    -16.69737513
  H     12.41534726      6.36113491    -15.36934966
  H     11.80212154      7.30412403    -13.26088854
  O     15.46435688      5.66241450    -16.38555256
  H     14.25538814      5.25855953    -10.98474370
  H     12.62075264      6.02884345    -13.04036120
  O     19.48919116      7.24105173    -14.88072687
  H     14.01421541      6.68734111    -11.53466157
  H     19.03260220     10.16018115    -13.63339585
  O     15.59892992     12.34452168    -16.22165085
  H     15.73398962      9.80376378    -13.53358968
  H     19.48053018      9.13248597    -14.68983815
  O     15.75582929      8.59309614    -14.79729273
  H     15.21936060     11.18845021    -13.04255792
  H     18.66913620      7.11437652    -13.19624255
  O     11.65719414      8.93460612    -12.25002735
  H     17.55938837     10.33197035    -17.77328131
  H     18.18132211      8.18430995    -12.20918420
  O     16.52212974      7.19046290    -10.01150022
  H     16.19097612      9.98126173    -18.38753714
  H     14.01772882     10.08121065    -17.59748514
  O     12.05443352      6.47568774    -13.68431644
  H     15.29897496      4.48717605     -8.64009369
  H     13.78744187     10.86255613    -18.91307090
  O     19.30921385     10.07206436    -14.55325156
  H     15.78062767      5.59040279     -9.59773308
  H     14.75418239      9.18293212    -11.72382307
  O     18.12751809      7.23934413    -12.40568828
  H     16.80244938      6.81381777    -16.75310482
  H     13.32935889      8.67288073    -11.45603203
  O     14.42627849     10.70369297    -18.22329412
  H     17.37779841      8.14770243    -17.38341298
  H     14.16363952     13.46053954    -13.67316506
  O     14.25767177      8.50746574    -11.24320972
  H     15.63562402      5.61808216    -15.43336838
  H     14.77121745     12.51562241    -14.73927377
  O     14.29835452     12.54155739    -13.88658336
  H     14.52172963      5.84457583    -16.46505687
  H     13.10602658      8.12971206    -16.42148375
  O     13.48034953      9.01220252    -16.30614646
  H     18.80029336      7.26784979    -15.56933020
  H     14.27913348      8.89865732    -15.76915834
          69
 Energy    -247.94804217618187     
  O      2.23205594      1.38128117      3.34109489
  H      1.83757968      0.81537986      4.03107977
  H     -3.66224701      2.07410177      1.22719337
  O     -0.80262708     -0.68526424     -2.91109419
  H      3.02488041      1.75400588      3.71774730
  H     -2.31629179      0.30373685      6.10493587
  O      1.08482425     -0.16145429      5.24567045
  H     -0.40323858     -1.53450441     -2.68167378
  H     -1.63704719      1.65776224      5.70707877
  O     -2.51490453     -0.72017802     -0.72568282
  H     -0.33232559     -0.03166997     -2.38061246
  H     -0.60816019      2.56021774     -0.14004219
  O      0.36237965     -3.12938604     -1.87750109
  H      0.94111777     -1.11267686      5.18716433
  H     -0.67353626      4.07016143     -0.47702159
  O      2.61959652     -1.87481073     -0.97753515
  H      0.24987086      0.19822653      5.57945552
  H     -1.06254474      1.24753313      2.86895122
  O     -4.34355545      3.62019643      3.79252644
  H     -2.22578401     -1.57130672     -0.36408518
  H     -1.57843403      0.35102997      4.00550151
  O     -2.43241587     -2.61837230      4.85331205
  H     -2.19546686     -0.69583673     -1.63719425
  H     -0.85445322     -3.21818849     -0.42438001
  O     -0.14286105      2.84390440      2.85616333
  H      0.59823499     -3.88044782     -2.41690348
  H     -0.90168507     -2.70315097      1.03886597
  O     -4.97259472      0.84993986      4.03832834
  H      1.19516351     -2.73062482     -1.57212995
  H      2.07381593      0.35361232      1.78938733
  O     -3.97204529     -0.57145249      6.12057232
  H      2.42985627     -1.27483852     -0.23915193
  H      1.20849438     -0.89693739      1.52531947
  O     -3.51125431      3.02591038      1.28039966
  H      3.52030947     -1.69818910     -1.23722661
  H     -2.69849625      3.48853767      4.71659457
  O     -1.48355399      0.70834827      5.83685937
  H     -4.95283018      4.35375857      3.78970767
  H     -1.21342149      3.30523807      4.34269884
  O     -0.85991683      3.43346110      0.20791381
  H     -4.04947903      3.49637115      2.87238566
  H     -0.97388848      0.34308516     -0.45183693
  O     -1.48746000      0.39823782      3.04444929
  H     -2.83659622     -2.71420521      3.97878920
  H      0.50797528      0.52505910      0.00677569
  O     -1.44887744     -3.04931705      0.31659234
  H     -2.98586942     -2.00073292      5.34311938
  H     -0.73393529     -2.80529251      4.94869328
  O      1.78809561     -0.24918838      1.09314233
  H     -0.25904564      3.15959706      1.95157479
  H      0.47433831     -3.69718312      5.32523757
  O     -1.82578814      3.31526211      5.09071709
  H      0.74125582      2.46677777      2.94796323
  H     -0.57610523     -1.08475432      2.58635400
  O     -0.19662594      0.91324741     -0.52752897
  H     -4.76384187      0.56212593      3.14181429
  H      0.16636589     -2.32066290      3.15504851
  O      0.23793367     -2.88214332      4.89239552
  H     -4.82770145      1.80456580      4.04749394
  H     -3.79335690     -1.79863812      2.02470378
  O     -0.02403886     -1.84259886      2.33854899
  H     -4.38402554     -0.08224524      5.38608630
  H     -2.93502002     -2.99606722      1.58406768
  O     -3.51650360     -2.68254061      2.28748764
  H     -4.64461007     -0.68376868      6.78663831
  H     -2.96847809      0.23845937      2.09559278
  O     -3.76362975      0.17218105      1.53953180
  H     -2.65240178      3.19533709      0.87795628
  H     -3.46887002     -0.09875937      0.65782936
          69
 Energy    -247.94801185983778     
  O     -3.74820780      0.79672605      0.02839165
  H     -4.18337414      1.41377571     -0.55409691
  H      2.19424780     -2.09699564      1.75247342
  O      1.00575905      0.80738250      0.65185250
  H     -2.86246128      0.63845842     -0.34382901
  H     -1.01716359     -1.39940754      1.81245417
  O     -3.44700105      0.69520347      2.81486185
  H      0.39535088      0.68846952      1.40216205
  H     -1.25300457     -2.24085182      0.51386121
  O      2.50920808     -1.17629778      4.68911880
  H      1.35418442      1.69362116      0.71983313
  H     -2.73286043     -4.66824671      3.00135707
  O     -3.15992764     -3.22681599      7.34412202
  H     -3.62556768      0.87535286      1.88332773
  H     -2.17072902     -3.28299765      2.53097469
  O     -0.20848881     -0.65749269      5.17036458
  H     -3.85170371     -0.16349246      3.01111729
  H      0.36198972     -3.21962593      1.67624198
  O      1.43051303     -3.86949268      4.44321236
  H      2.58182896     -1.14228410      3.71868269
  H      1.34016476     -3.93155295      2.64052025
  O     -4.71974245     -1.15823224      6.21459827
  H      3.36853662     -0.95351622      5.03681255
  H     -3.96789622     -2.51933947      3.38277781
  O     -1.28923424      0.26101727     -0.97871141
  H     -3.75227019     -2.54556535      6.99304216
  H     -4.80070537     -1.64259221      4.34688833
  O     -2.02061134     -5.79150485     -0.12853496
  H     -3.72507214     -3.90809996      7.70157223
  H      0.87793544     -4.38610110      0.10738897
  O     -2.65648132     -6.35121696      2.46970467
  H     -0.55204440     -1.55546690      5.29355207
  H      1.26383592     -5.05795378     -1.23045569
  O      2.57002606     -1.23284688      1.96660643
  H      0.75319497     -0.73607268      5.13576784
  H     -0.50022745     -0.07142707      3.51226831
  O     -1.14216511     -2.29338939      1.47001489
  H      0.56457084     -3.79325797      4.86649002
  H     -1.68536149      0.46794721      2.65849655
  O     -2.69522786     -3.72530487      3.21426997
  H      1.88665140     -3.04360560      4.64247453
  H     -2.09089179     -2.91156775     -1.41185783
  O      1.19717884     -3.71122816      1.70882646
  H     -5.42680766     -0.68236595      6.64294316
  H     -0.56345435     -3.19178913     -1.29868489
  O     -4.59658714     -1.78057369      3.41548695
  H     -4.00373021     -0.51398491      6.06388462
  H     -4.10640176     -3.09763287     -0.49275355
  O      0.54466105     -4.62937159     -0.77374916
  H     -0.45472622      0.47523856     -0.54641143
  H     -4.41427635     -3.94735452     -1.74605770
  O     -0.75262299      0.21665379      2.62394855
  H     -1.21575236     -0.65887355     -1.26898908
  H     -1.83908940      0.26166141      5.56366852
  O     -1.22304410     -2.48841317     -1.35074576
  H     -1.13914108     -5.47997780     -0.36287221
  H     -2.96670430      0.84630043      4.67996789
  O     -3.71857176     -3.71804571     -1.13535209
  H     -2.64115149     -5.13246336     -0.46414153
  H     -1.73762073     -3.29794382      6.20374550
  O     -2.74804950      0.58788309      5.58444729
  H     -2.24631070     -7.16578945      2.74759232
  H     -1.68324746     -3.45536568      4.66669092
  O     -1.14434396     -3.24589427      5.44315175
  H     -2.42542210     -6.23864303      1.53183838
  H     -4.44046645     -0.95436486      0.34239868
  O     -4.71391842     -1.85503861      0.55473340
  H      2.12511235     -0.58879636      1.40487438
  H     -4.82337477     -1.88686106      1.51259639
          69
 Energy    -247.94797641005772     
  O      0.89483509      0.07837847      2.72587556
  H      0.78255205      1.02815659      2.85231837
  H     -2.67366548     -0.19923036      3.65402522
  O     -3.27112031      0.08048852     -3.33985226
  H      1.26133585     -0.08177177      1.84222443
  H     -1.95437667     -0.23968774      5.79908334
  O      0.22558770     -1.91967127      4.60081390
  H     -2.39557135      0.29784940     -2.97749541
  H     -1.60912632     -0.52213403      7.26927340
  O     -4.51452257      0.02603138     -0.79503533
  H     -3.32387073      0.49214312     -4.19861744
  H     -0.83223909      2.90787776      0.15187687
  O     -2.64924919     -2.66796080     -2.60787342
  H      0.60892792     -1.27866294      3.98923889
  H      0.24164499      3.15670809      1.21201436
  O     -0.38373778     -2.06302761     -1.11987268
  H     -0.17897232     -1.40309835      5.31144009
  H     -1.78917044      1.25125582     -0.63537321
  O     -2.59190311      2.92920533      2.55864594
  H     -4.32914580     -0.89468513     -0.55359974
  H     -3.24093075      1.15788183     -0.15631667
  O     -3.90910434     -2.84193753      4.03619179
  H     -4.28808580      0.10702969     -1.72924981
  H     -1.96192571      0.37162170      1.43094316
  O      0.09947146      2.79549282      3.06297119
  H     -3.23432615     -2.80598322     -1.85077783
  H     -0.82422446     -0.17471334      2.34425391
  O     -0.88019281      0.50044131     -2.01942966
  H     -2.94646849     -1.84713737     -3.01615793
  H     -4.72609656     -2.75156706      0.56188584
  O     -4.98374740      1.82479089      3.64443152
  H     -0.68885760     -2.40160059     -0.26624150
  H     -3.20017465     -2.79452653      0.34255342
  O     -3.18634567     -0.16432069      4.47638666
  H     -1.03149115     -2.38808528     -1.76268431
  H      1.75721966      0.28406239     -0.46327620
  O     -1.21432665     -0.36053836      6.41566501
  H     -3.39836622      2.63608415      2.99958465
  H      1.12268907     -1.11308497     -0.31825891
  O      0.08168502      3.18998710      0.26006422
  H     -2.65736257      2.59681013      1.65519853
  H      1.10065972      2.40449040     -0.92052503
  O     -2.39428551      1.58181240      0.04433112
  H     -3.70534560     -1.93542162      4.30338874
  H      2.20671631      2.36767229     -2.00566072
  O     -1.75748253     -0.28244055      2.10700367
  H     -3.06371000     -3.30325700      3.98771986
  H     -0.92579062     -4.79429687      4.09645631
  O     -4.04201893     -2.63228040     -0.10824206
  H      0.34260850      3.31112364      3.82782529
  H     -0.71373831     -3.26202471      4.07969787
  O      1.66183754     -0.45931167      0.14321610
  H     -0.87075291      2.83991783      2.99518560
  H     -1.46902312     -3.40245844      2.00245075
  O      1.53237612      1.84017600     -1.58720147
  H     -0.03930107      0.97237140     -2.04761294
  H     -1.72039723     -1.94626053      1.55574042
  O     -1.29086246     -3.98068254      3.76054566
  H     -0.69570047     -0.39160432     -1.68652491
  H     -6.52268673     -3.21913764      2.33203003
  O     -1.62723895     -2.85429825      1.22595548
  H     -5.73094078      2.28648419      4.01469784
  H     -5.12024675     -2.77039887      2.80777592
  O     -5.78469448     -2.66060748      2.10336440
  H     -5.33008475      1.25460746      2.93364389
  H     -5.52566067      0.23273126      0.78278015
  O     -5.83735427      0.16591115      1.69372136
  H     -3.85229797      0.52050161      4.34845137
  H     -5.89010634     -0.77896236      1.88489468
          69
 Energy    -247.94797277808308     
  O     16.44166281     10.59726493    -16.81793905
  H     16.84384165      9.86241063    -16.32805853
  H     18.08143309      5.39878117    -16.15143541
  O     15.26937559      5.71420959    -14.28750253
  H     16.00518516     11.15785400    -16.16201117
  H     17.09890800      5.48568561    -11.37855549
  O     18.02293500     14.37597366    -12.12579012
  H     15.91692338      5.58824529    -14.99694407
  H     17.91810389      6.09991759    -12.53501704
  O     19.94925388      8.72935756    -14.05979980
  H     15.78384246      5.87178881    -13.48818140
  H     21.69880404     10.11747142    -16.80263074
  O     17.22307325      7.10976093    -18.71456465
  H     18.10501573     13.76686810    -12.88047488
  H     20.21605491     10.50914758    -16.59890979
  O     16.01512527     11.33166306    -10.25685653
  H     18.23149413     15.24760851    -12.45162966
  H     17.34988793      7.54439254    -15.58368189
  O     15.13463643      9.21216864    -13.94621964
  H     20.38187288      9.15051344    -14.81267426
  H     18.29083301      8.53779222    -14.85191661
  O     18.14416586     12.40844313    -14.02777194
  H     19.74569001      9.39820032    -13.39139628
  H     16.79497516      7.96610369    -11.66595743
  O     19.42354652      6.09137670    -13.40972534
  H     16.41888561      7.59031958    -18.44784851
  H     15.97843851      9.06727447    -12.36700287
  O     13.57522792      7.46206149    -15.46730546
  H     17.10272409      6.87047149    -19.62982851
  H     14.48865743      8.08460274    -17.06658136
  O     19.91351469      5.11137868    -16.03993549
  H     16.13954795     10.43676137    -10.59742695
  H     15.35790778      9.26773264    -17.56165083
  O     17.19390062      5.76132514    -16.26567511
  H     16.90103332     11.66781499    -10.08021951
  H     19.17395359     12.82491882     -9.46770150
  O     17.07158766      6.15631898    -12.05681865
  H     15.95781533      8.91278708    -14.36517500
  H     18.49231011     13.21597559    -10.79867057
  O     20.85814368      9.78334889    -16.50111893
  H     14.42994835      8.71363894    -14.37505616
  H     18.10608868      9.89359719    -11.99328839
  O     17.42721486      8.45426727    -15.27351819
  H     18.42959092     11.69134975    -13.44525749
  H     18.97295951     11.05956867    -11.44654923
  O     16.61882402      8.91476761    -11.65636914
  H     17.21040022     12.24610480    -14.23044062
  H     16.04778283     13.83191907    -12.05843807
  O     15.02070990      8.39520463    -17.80813794
  H     19.64615984      5.62955530    -14.22576369
  H     15.38554194     12.58459464    -11.46049596
  O     18.70681680     12.46737522    -10.21876109
  H     19.71879327      7.00278212    -13.54841120
  H     20.18983020      8.18415519    -17.30174201
  O     18.87998438     10.44542891    -12.18426504
  H     14.11943978      6.77940023    -15.03313762
  H     19.04706414      7.41902059    -18.02833794
  O     15.27379854     13.26705732    -12.13967851
  H     12.67478660      7.14936990    -15.44986212
  H     15.24500840     12.43967467    -13.73868283
  O     19.91477563      7.31620364    -17.61968102
  H     20.48047133      4.43720392    -16.40382882
  H     15.23913791     10.98143578    -14.26580951
  O     15.45979926     11.89249709    -14.50894852
  H     20.01314038      5.89922545    -16.60521780
  H     18.84067736     12.09607564    -15.74373283
  O     19.00956119     11.73444166    -16.62378796
  H     17.13973554      6.08339272    -17.17495147
  H     18.14887381     11.42068800    -16.93040152
          69
 Energy    -247.94770472120774     
  O     16.24390510      9.02064842    -15.72353476
  H     17.01657892      9.39817470    -16.18358239
  H     18.78087215     11.27620054     -9.56338898
  O     20.79247740      9.76973627    -15.38316978
  H     15.81576010      8.43004836    -16.33681617
  H     20.55589192     16.75488512    -12.37030003
  O     19.26257451     13.08912075     -9.85495201
  H     21.15090648     10.54662739    -14.93166663
  H     19.08679240     16.32915643    -12.58506318
  O     14.88118817     11.96414555    -12.11040945
  H     20.73319286      9.09193809    -14.70152506
  H     20.74475999     12.39863690    -10.64467021
  O     21.06669145      9.26905815    -10.77489176
  H     18.53371294     13.19401198    -10.48504922
  H     21.51887613     11.08296591    -10.89645801
  O     16.37610187      9.64318964    -11.23602347
  H     19.53002710     13.97753811     -9.59184925
  H     17.19244490      8.79908622    -14.15746193
  O     20.85267248     14.60294480    -14.59469956
  H     13.95458569     12.12604344    -11.95573020
  H     17.22641831      9.04612229    -12.60687579
  O     20.18691138     15.71539433     -9.49174224
  H     14.98494288     11.82100503    -13.06834810
  H     20.53824371     13.11622876    -17.49156404
  O     21.36746892     11.99014418    -13.79663349
  H     20.84351572      8.81791080    -11.60354532
  H     20.38380066     14.05325775    -16.27794192
  O     15.31357558     11.56968562    -14.77149174
  H     21.53098212      8.63286464    -10.23476484
  H     22.49242332     15.70680957    -12.20711938
  O     18.40640277     10.25009857    -16.75590523
  H     15.82601596     10.41483570    -11.40746275
  H     23.09938903     16.86223764    -13.04203447
  O     18.56976905     10.34130057     -9.68019824
  H     17.06603134      9.91082878    -10.60970122
  H     17.88014036     14.50970455    -12.95994868
  O     19.68270252     16.75652207    -11.95817265
  H     19.96690693     14.76045509    -14.23793670
  H     17.83036474     14.60743175    -14.48801098
  O     21.55461406     12.03704330    -11.03559210
  H     21.44958525     15.21295350    -14.14395493
  H     21.83219187     15.02989902    -10.21979075
  O     17.77069571      8.85136384    -13.38768396
  H     19.93233958     16.12508923    -10.33776153
  H     22.37005322     13.73656852    -10.86497332
  O     19.90719566     13.66165448    -17.02653069
  H     20.06431402     16.37728083     -8.81663426
  H     19.36292419      8.22415063    -13.21223292
  O     22.33787681     16.29387892    -12.96958541
  H     21.54012012     12.02458994    -12.84572761
  H     20.34959635      7.03775660    -13.32364334
  O     18.21065922     15.02780000    -13.70967752
  H     21.27812464     12.90264649    -14.10204866
  H     19.59132385     11.59391298    -13.59616835
  O     22.52485773     14.68751965    -10.79916886
  H     15.96215147     12.14592494    -15.19539325
  H     18.37181677     10.61229892    -13.50238769
  O     20.30017565      7.97016308    -13.12702266
  H     15.50339444     10.67988922    -15.09224588
  H     18.36116653     13.24998088    -16.24509533
  O     18.63151242     11.54110735    -13.50858099
  H     19.25934989     10.07355593    -16.33064246
  H     18.00641899     12.46303655    -14.93780204
  O     17.62690896     12.94768828    -15.68934206
  H     18.21134757     11.17966040    -16.60734680
  H     16.42905068     12.92394419    -11.78529217
  O     17.34546788     13.22355742    -11.80958674
  H     19.37848621      9.92962277    -10.00311140
  H     17.82377070     12.57246541    -12.35045855
          69
 Energy    -247.94766962512622     
  O     14.09145599      1.23424339    -14.19449955
  H     14.77556809      1.09329882    -14.85766746
  H     18.68817858      5.52357420    -18.79485374
  O     20.44800536      8.21448967    -16.58784551
  H     14.45099487      1.88387835    -13.57187315
  H     14.57720442      4.09569501    -12.42561682
  O     13.64124363      5.68770401    -12.12892836
  H     20.58101143      9.11089105    -16.28882678
  H     15.38622261      3.73102629    -13.69040894
  O     14.42800106      3.31538182    -19.92725067
  H     19.99467021      7.75633795    -15.86177691
  H     17.45677826      3.01412570    -18.85008699
  O     18.30174319      6.01742172    -12.13323476
  H     14.37974308      6.26910162    -12.38850875
  H     16.10085600      2.50793338    -19.36035172
  O     16.88430656      8.13502640    -18.29074548
  H     13.22005567      6.09714357    -11.37832297
  H     18.87345669      6.64314827    -13.77879477
  O     14.44319216      6.19531433    -16.46154578
  H     13.98710380      2.97661193    -19.12712398
  H     18.94583513      5.94591094    -15.15706607
  O     18.62925571      4.40770481    -15.92407374
  H     13.88595542      3.06069984    -20.66890713
  H     17.35781327      7.53469966    -15.27303879
  O     16.03641474      1.61821893    -16.33413793
  H     18.69925215      6.13605543    -11.27458131
  H     16.60751382      8.11194653    -16.48774955
  O     17.90263305      3.35677041    -12.52609439
  H     18.20510558      5.05772649    -12.26549204
  H     12.27705904      4.47917780    -14.87364807
  O     15.90253756      4.15228286    -15.33988400
  H     17.78417261      7.93043469    -18.56840601
  H     12.78863548      5.48957544    -13.81734641
  O     18.10744216      4.78126304    -18.58691345
  H     16.33692820      7.43335993    -18.66744599
  H     12.86311529      2.48557031    -16.89602745
  O     15.13881628      3.41086009    -12.80685348
  H     15.02428752      6.85681495    -16.06175695
  H     14.24965109      1.89643553    -17.19424345
  O     16.88133564      2.23821244    -18.86021138
  H     13.68114826      6.03957046    -15.88372361
  H     18.99935927      0.96623073    -14.98688278
  O     18.99510625      6.81120740    -14.72058645
  H     18.49873804      4.45980039    -16.88273999
  H     17.63758414      1.56511128    -15.39424549
  O     16.49695119      7.86960824    -15.55580078
  H     18.76141062      3.48677937    -15.67291377
  H     15.03198945      5.86216069    -18.09988510
  O     12.50092441      5.40779842    -14.73461948
  H     15.89782400      2.52272850    -16.00428854
  H     15.08538561      4.97839203    -19.37614230
  O     13.47597953      2.28793416    -17.61366687
  H     16.37910779      1.70511773    -17.23831703
  H     16.61876917      6.80093792    -12.59052097
  O     18.46927821      1.75831728    -14.93446341
  H     18.16889914      2.78157047    -13.25000387
  H     15.92760482      7.53317532    -13.76394954
  O     15.51279951      5.71882852    -18.93017924
  H     16.93801468      3.28678026    -12.47243945
  H     19.93444944      7.53542073    -18.12997940
  O     15.77404311      7.16105541    -12.88707213
  H     16.82971603      4.38415529    -15.47298449
  H     20.09620233      7.48671932    -19.66621347
  O     19.55058527      7.17609312    -18.94805023
  H     15.35936874      4.83107342    -15.75975676
  H     11.15223531      2.19616422    -15.04531566
  O     11.98079090      2.63624426    -15.21876078
  H     17.20047305      5.11029110    -18.68478099
  H     12.67595668      2.09428251    -14.80655912
          69
 Energy    -247.94749549043274     
  O     12.17332766     12.45583164    -11.37895262
  H     11.81693006     11.68439361    -11.83304273
  H     12.13476190     10.06271839    -14.46006405
  O     20.02124376      7.11040842    -11.28595142
  H     12.59059830     12.12572839    -10.57183032
  H     16.08135666     10.49893747    -12.21604261
  O     17.58893190     10.25158439    -11.25937555
  H     19.05332641      7.18619956    -11.26135206
  H     14.96694606     11.43086499    -12.80242597
  O     16.56230426      6.82998519    -14.02757610
  H     20.27148885      6.67582242    -10.47506072
  H     13.61469761     11.69208802    -15.62439172
  O     14.70781386      5.19175122    -12.73653015
  H     18.20320755     10.44028748    -11.98188329
  H     14.17629248     12.81043595    -14.72659262
  O     14.29945471     13.13911349    -12.96563598
  H     17.51229332      9.28864859    -11.20433955
  H     14.68736826      6.17749781    -11.15893991
  O     17.54609473     10.03698384    -15.78081658
  H     17.39420314      6.92072484    -14.51365764
  H     14.29294059      7.55941350    -10.58501332
  O     17.30571819      7.49888990    -11.41235244
  H     15.96320427      7.50388071    -14.37820902
  H     20.63343775      7.96112814    -12.69008063
  O     16.80511156     12.70044851    -16.28826483
  H     15.37489082      5.67022495    -13.25368088
  H     21.82419244      8.34322974    -13.60064380
  O     18.86776744      7.54802121    -15.35632780
  H     14.84405455      4.26761271    -12.93188638
  H     17.09933070     13.91655743    -12.40930703
  O     17.98111034     13.21688688    -13.72115439
  H     14.97063337     13.64939975    -12.49751549
  H     16.82055052     15.16582969    -11.53979495
  O     12.50007232     10.10483504    -15.35720034
  H     13.52558698     13.04006373    -12.39190636
  H     16.29287169     12.94237288    -10.36656863
  O     15.25189891     10.51307058    -12.71107643
  H     17.37569201     10.93804278    -16.08211021
  H     16.73811678     11.48227969    -10.16954235
  O     14.19554182     12.45924588    -15.62996575
  H     16.67913070      9.65388132    -15.58670188
  H     13.52772619     11.43521302     -8.24312379
  O     14.85819953      6.79276069    -10.43067974
  H     16.52054847      7.23841544    -10.90946380
  H     14.54734190     11.65591614     -9.38421282
  O     20.88365600      8.45504088    -13.49022825
  H     17.11008969      7.29440800    -12.33709813
  H     18.56140551     10.40570517    -14.29335261
  O     16.53038264     14.27244554    -11.70214159
  H     15.85289229     12.61302737    -16.10148657
  H     19.82890473      9.99429236    -13.50622188
  O     16.14742350     12.16248730     -9.81779316
  H     16.88413912     13.26122483    -17.05527628
  H     10.65518560      9.50200581    -12.49202346
  O     13.64272999     11.35233664     -9.18571198
  H     18.52111428      8.38653426    -15.68965646
  H     12.15176815      9.57202655    -12.12375724
  O     19.12026707     10.64803754    -13.54035005
  H     19.61182970      7.77857043    -14.78801340
  H     14.15302405      9.60357143    -11.63296853
  O     11.47871515      9.92032695    -12.73338539
  H     17.58426852     13.13338370    -14.59660236
  H     13.49328665      9.84040399    -10.26183680
  O     13.49798388      9.23851598    -11.01778545
  H     18.51739165     12.42318256    -13.59870886
  H     15.19118937      9.53614534    -14.13730041
  O     15.09016958      8.99809834    -14.94062538
  H     11.77327945      9.93982495    -15.95386735
  H     14.20875632      9.20037210    -15.26779231
          69
 Energy    -247.94733681317553     
  O     15.90218485     10.64209082    -14.94589492
  H     16.75229423     10.40428499    -15.33930195
  H     13.39259842     10.10769377    -10.17969543
  O     15.34943618      6.28280419    -10.51453779
  H     15.92521388     10.29955318    -14.03840426
  H     18.74774396      5.48386607    -16.16895361
  O     15.17908965     13.24633193    -14.68351089
  H     15.54909321      7.10865788    -10.03695818
  H     20.02554123      4.76734082    -15.70417035
  O     14.30720714      8.51080949    -15.72735504
  H     15.36214080      5.58547418     -9.86450550
  H     16.36915372      6.48142658    -13.50120855
  O     18.34794577      9.74147621    -15.85000897
  H     14.79162168     13.59398791    -15.48213474
  H     16.47023910      6.53740838    -11.94529748
  O     19.64079603     11.92963993    -14.64698845
  H     15.39460459     12.31266218    -14.85637355
  H     15.88495160     12.99278271    -11.15649168
  O     19.13623733      7.78238662    -14.03505572
  H     14.79289930      9.30728738    -15.46817967
  H     16.75702071     13.76981010    -10.14122953
  O     13.46870738      6.28287333    -12.69967276
  H     13.49705481      8.51093092    -15.20294267
  H     15.77873226      8.29179887    -17.01708915
  O     14.36135557     12.81688089    -11.99330697
  H     18.61316874      9.03618250    -15.24032260
  H     17.27654185      8.68994382    -17.00184885
  O     12.17510945      8.37039942    -13.83357153
  H     18.85631166     10.52042204    -15.58953431
  H     16.54157676      9.82774624    -11.83852904
  O     13.37680853     10.17699330    -12.00883631
  H     20.39438694     12.47561490    -14.85534103
  H     16.23685017      8.53421000    -12.63723763
  O     13.58131097     10.08471679     -9.22899738
  H     18.97739169     12.51368238    -14.23855763
  H     16.90733771     13.53316793    -13.92495562
  O     19.58309133      5.61286359    -15.69656042
  H     19.44070764      7.04913358    -14.58626353
  H     17.54436891     13.37815444    -12.53289764
  O     16.88537993      6.83739335    -12.76405458
  H     18.39967172      7.43607913    -13.51093470
  H     18.44518792     10.29940483    -11.14406797
  O     16.78846224     13.08513673    -10.80438821
  H     14.01297780      6.30131704    -11.90325891
  H     17.44492936     11.35431329    -10.56616705
  O     16.63829471      8.08434985    -17.40251170
  H     14.04247761      5.98011462    -13.41570627
  H     15.85841857      5.66508407    -15.56233318
  O     15.96515341      9.45197026    -12.51774249
  H     13.91297823     11.96131626    -12.00242940
  H     14.96334520      6.87587313    -15.19903694
  O     17.75575405     13.47774028    -13.46891397
  H     14.51329545     13.05149474    -12.91755691
  H     19.61219955      9.21656167    -12.90712084
  O     17.66266725     10.41400241    -10.58187546
  H     11.25574934      8.15516627    -13.96705265
  H     19.73634765     10.72982316    -13.12004329
  O     15.29052115      6.02434085    -14.87160239
  H     12.57623189      7.61098590    -13.37165246
  H     16.61730039      9.18350754     -9.56639237
  O     19.66237289     10.05749435    -12.43365340
  H     14.28760822      9.86766779    -12.14011704
  H     15.13374064      9.11473716     -9.12635286
  O     15.93503750      8.58392291     -9.24019330
  H     12.83219564      9.66226523    -12.61334167
  H     16.86434487      4.96477806    -17.80555440
  O     17.08721661      5.45035237    -17.01552179
  H     13.23466747     10.90084310     -8.87617707
  H     16.97060177      6.39534633    -17.22695433
          69
 Energy    -247.94731224743242     
  O     14.79719437     11.89011282    -11.64319191
  H     15.55713810     11.66345463    -11.09484529
  H     14.51276003      9.54380513    -16.83147341
  O     14.15807275      6.88274107    -15.14154129
  H     15.07686010     11.71243506    -12.55294590
  H     16.65117927      5.34815034    -14.82915041
  O     17.42017974      6.29623771    -10.63824478
  H     14.64879210      7.44475774    -14.51793083
  H     16.30167544      4.35189605    -15.95611774
  O     19.38134974      7.12960174    -12.24490715
  H     14.65476043      6.06153408    -15.21517542
  H     18.61538490     10.22207304    -13.17193311
  O     13.55591463     10.97628465    -16.00000033
  H     16.82753879      5.53289569    -10.62417329
  H     18.96285312      9.00034826    -12.28120574
  O     12.95781402      5.77000201     -9.74095746
  H     16.83553273      7.06061204    -10.54145672
  H     15.65036820      9.34038659    -13.69125307
  O     12.04704459      7.25572569    -13.40811899
  H     18.70823221      6.78305051    -11.62758764
  H     15.68571572      8.36685198    -12.47824721
  O     15.64962484      8.42272386    -10.65643750
  H     20.22437125      6.80069552    -11.94663262
  H     11.74809329     11.64526585    -10.92645308
  O     17.73302254      8.70488093    -16.43989290
  H     13.05297868     11.60499674    -16.51048884
  H     13.18896528     11.34684317    -11.41027010
  O     11.99183339      4.75883432    -12.24599381
  H     12.95159259     10.61815622    -15.32440872
  H     14.98278931      3.86265926    -13.83179738
  O     17.64416342      6.73753619    -14.38539848
  H     12.58788786      5.76987744     -8.86134371
  H     14.42252502      2.52048175    -13.32109829
  O     15.02722008      8.76119053    -17.06101811
  H     12.90950204      6.68494628    -10.06132065
  H     11.84671773      9.06220010    -13.88187921
  O     16.00070781      4.68272479    -15.11294061
  H     11.84575355      6.38193890    -13.04391378
  H     12.01965506     10.40472984    -13.14673267
  O     18.68218365      9.92295208    -12.25751320
  H     12.71123155      7.10210704    -14.09502221
  H     14.59836717      4.87697412    -10.25447749
  O     15.66509963      8.40794822    -13.44206385
  H     16.00095471      9.29199795    -10.42740781
  H     15.07909732      4.06791825    -11.46944758
  O     12.29208798     10.97353410    -11.32787614
  H     14.68443824      8.45449322    -10.65124089
  H     18.15858073     10.09522467    -15.53328648
  O     14.41074146      3.46206871    -13.16028799
  H     16.81400692      8.73173834    -16.74719101
  H     18.93994219     11.42593135    -15.40673783
  O     11.97123106     10.00952045    -14.02476118
  H     17.80894145      7.93399333    -15.86530847
  H     12.64781853      7.92123870    -11.81203814
  O     15.36999694      4.43261168    -10.62604029
  H     12.22760930      4.96844433    -11.33360215
  H     12.60309337      9.19883793    -10.94091338
  O     18.31886268     10.86254258    -14.95365696
  H     12.75561828      4.29515231    -12.61067562
  H     17.58182327     11.11869693     -9.56666841
  O     12.87875238      8.27365166    -10.93939762
  H     18.35992406      6.76301470    -13.73895076
  H     17.65775845     10.54433048    -11.00090813
  O     17.04450245     10.83408667    -10.30067943
  H     16.97299010      7.35662550    -14.05653484
  H     15.01319962     11.15634503    -14.88568915
  O     15.64880718     11.11806275    -14.15911866
  H     14.63919893      8.04615672    -16.54003189
  H     16.54425918     11.16161844    -14.51754431
          69
 Energy    -247.94718350788287     
  O     11.58202623     10.99575102    -14.80258408
  H     11.93252188     10.22911944    -15.28583678
  H     14.92618338      5.79893132    -14.19268825
  O     15.65724167      7.01630874    -13.00270645
  H     11.41132406     11.66448358    -15.46061309
  H     19.17250882      7.18908658    -15.39167607
  O     17.95478668     10.50244857    -12.39528662
  H     15.46537578      7.77134915    -13.58100873
  H     20.64607301      7.05093116    -14.93921586
  O     16.86263795      9.53340312    -16.58322083
  H     15.17120757      7.17720618    -12.18306532
  H     15.05690943     10.08041778    -14.05931424
  O     11.82352758      6.47289389    -14.66379625
  H     18.15986575     10.76088578    -11.48778824
  H     14.18147957      9.12823693    -14.95080864
  O     15.73301387     10.54658750     -8.83399322
  H     18.01735661      9.53623680    -12.42660011
  H     11.43020271     10.70431426    -13.08460210
  O     14.22790077      7.81128719    -10.75364008
  H     16.23854632      9.40259968    -15.85442984
  H     10.54136974     10.84114258    -11.82547727
  O     15.55754918     11.57625764    -13.07829517
  H     17.65333021      9.91820948    -16.17960061
  H     18.36513932      7.84133106    -10.58863920
  O     15.57991123      5.59159059    -17.32863442
  H     11.02515340      5.95887664    -14.75066308
  H     18.46455976      9.01833585     -9.59767567
  O     15.87916348      7.69802436     -8.49402024
  H     11.81388820      6.85769866    -13.76860123
  H     12.61796083      7.55258910    -11.66118551
  O     17.95868647      6.95291630    -16.58306244
  H     15.69723141      9.61564018     -8.58059150
  H     11.59897980      8.58012288    -12.18827282
  O     14.43635566      5.35201347    -14.89622695
  H     15.04422553     10.66813790     -9.50054904
  H     19.46245198      9.37197668    -14.94992169
  O     19.81705888      7.46296193    -14.71299376
  H     14.72371509      7.65308458     -9.94120120
  H     18.79011732     10.49543546    -14.14880395
  O     15.02915219      9.22174049    -14.49720214
  H     14.17860198      8.77199868    -10.86228963
  H     17.37903568      7.37218780    -12.64844018
  O     11.36868650     10.48412111    -12.13888946
  H     16.43608815     11.22259191    -12.85162489
  H     18.84202557      7.55811462    -13.16117039
  O     18.29797692      8.06997053     -9.65084212
  H     15.69624998     12.42102007    -13.49840085
  H     18.73916308     11.56565904     -9.07683809
  O     11.84739560      7.64987462    -12.23604955
  H     15.17159564      5.45727833    -16.45436759
  H     17.37054861     10.88997411     -9.33689075
  O     19.06817269     10.24889300    -15.03896256
  H     15.47106225      4.77693208    -17.81127377
  H     15.40939659      8.78378098    -17.63257770
  O     18.24738221      7.73560656    -12.42180586
  H     15.95099390      7.13672749     -7.72714836
  H     14.92681856      7.32726758    -17.75697579
  O     18.28770489     10.96000279     -9.65810954
  H     16.76789929      7.74898884     -8.89078816
  H     13.03314880     10.63205125    -11.32751150
  O     14.63146208      8.24459940    -17.82392731
  H     17.23911010      6.36730144    -16.84129461
  H     14.48902541     10.99822399    -11.71302573
  O     13.94782455     10.59553253    -11.02073943
  H     17.60692842      7.84934702    -16.67792305
  H     13.29005978      8.59965565    -16.71710095
  O     12.69743288      8.79536282    -15.97444310
  H     13.52355028      5.65259176    -14.81588945
  H     12.36438656      7.96049671    -15.62125764
          69
 Energy    -247.94710997376745     
  O      4.09220545      5.08571338      3.52539243
  H      3.77519132      4.20299954      3.29286772
  H     -0.91257218      7.21848942     -0.28034484
  O      0.46355686     10.23797226      4.86339781
  H      4.02906771      5.61103517      2.72065259
  H     -0.61994891      5.07412217      0.31068875
  O      0.24780060     10.04703847      2.09150489
  H      0.49702434     10.93108427      5.51622579
  H     -0.24090004      3.94285904     -0.68310879
  O     -1.41002036      8.08970237      4.58585693
  H      1.32419587      9.77810866      4.89320480
  H      1.04918607      6.27300013     -3.73102442
  O      2.65131754      4.03546529      0.25844534
  H      0.32528696     10.24213504      3.03623457
  H     -0.07358343      5.29778137     -3.33358906
  O      4.04580237      9.05822268      2.30821762
  H     -0.65522846      9.73756804      1.94512424
  H      2.82333056      3.86071092     -1.57784400
  O      2.95041466      6.57087638     -3.38332058
  H     -0.80788582      8.80521301      4.82616480
  H      2.86518735      4.74576184     -2.84569266
  O      3.42755725      6.53239115      1.08886568
  H     -0.89365804      7.27447350      4.63468946
  H      3.38551006      5.80045356      4.93556149
  O      0.40888674      5.93259311      4.35957778
  H      2.86038928      3.44617786      0.99334605
  H      3.30676727      5.92620640      6.47612363
  O     -0.04484751      3.53876280     -2.50561861
  H      1.68855275      4.14922547      0.26236984
  H     -0.16355738      7.42032562     -2.37425287
  O      0.37967699      3.47046674      2.93306367
  H      3.60544417      9.64363011      1.68103424
  H      0.83938774      8.09155948     -1.41741093
  O     -1.23209386      6.75339678      0.51230883
  H      4.08226004      8.19715415      1.87567267
  H      2.87414074      8.03304196      5.12479709
  O     -0.13885212      4.23813750      0.23070618
  H      3.55054724      6.95108325     -4.02063695
  H      3.29796127      8.98788424      3.97208517
  O      0.08941504      6.18344196     -3.67966809
  H      2.91961352      7.18546334     -2.63282500
  H      2.43742019     11.42388494      0.16893353
  O      2.65424148      3.85816173     -2.53045482
  H      2.57973908      6.81000756      1.47729000
  H      1.58606048     10.40200654      0.95364553
  O      2.90062414      6.22393813      5.66668364
  H      3.27837938      5.65088800      0.71767375
  H      0.26503086      7.02998533      1.46647566
  O     -0.10239792      7.98408698     -1.58858609
  H      0.65759055      6.41165242      3.55419171
  H      0.89541301      8.25707012      2.16008480
  O      2.77916396      8.93052041      4.78679264
  H      1.18074713      5.97361881      4.93765829
  H      1.99716810      2.88169549      2.83960144
  O      2.39059544     10.50398277      0.41826761
  H      0.92652909      3.56642043     -2.57709160
  H      3.03160629      1.73006911      2.92916856
  O      1.00329365      7.30867747      2.02645686
  H     -0.33552403      2.77288395     -2.99393196
  H      2.67272285      9.03944356     -0.71373553
  O      2.93128362      2.64571192      2.68554500
  H      0.04535609      3.67714944      2.05086807
  H      3.04579475      7.57202830     -0.41958965
  O      2.74772727      8.16682203     -1.12035914
  H      0.27306208      4.26428181      3.47307343
  H     -2.07925999      8.50082777      3.03363358
  O     -2.31432258      8.79290469      2.13383479
  H     -1.76132201      7.37788439      1.02092343
  H     -3.20375064      9.13348949      2.17559538
          69
 Energy    -247.94658166131848     
  O     -4.62077989      3.15897715     -2.00041095
  H     -3.71749244      2.80287743     -1.92308688
  H     -5.48575868      5.10604664      3.51603847
  O     -2.91372484      1.28810621      7.27099014
  H     -4.75287048      3.37647312     -2.91951131
  H     -3.36203726      0.22632731      0.67701702
  O     -0.32182510      4.08281176     -0.54051840
  H     -2.32104293      1.02356304      7.96924677
  H     -4.09877926     -0.22965571      1.95203450
  O     -1.59061566      0.19371348      0.23677302
  H     -2.41640468      1.18543894      6.44266286
  H     -6.62162459      0.47953531      3.99821014
  O     -4.18620454      2.69999355      2.25492854
  H     -1.00877552      4.66240299     -0.16438469
  H     -5.80998495      0.60393136      5.29484275
  O     -5.96669082      3.45611943      4.28456919
  H      0.29950655      4.64746432     -0.99217506
  H     -5.97360889      2.02391859      7.41728824
  O     -4.98008584      4.56239977      0.40132435
  H     -1.09887693      0.88336665      0.70760344
  H     -4.54992323      1.74555336      6.88807945
  O     -2.28719805      5.60680606      0.53419443
  H     -1.45307528     -0.62237844      0.73255862
  H     -1.90361717      4.39589353      3.50663479
  O     -2.11931841      2.19601096     -1.68528325
  H     -4.29824215      1.81994088      1.87447950
  H     -2.65742146      3.17258345      2.94019292
  O     -6.16245805      1.06089379     -0.76791573
  H     -4.81823561      2.82358181      2.97533977
  H     -7.77117380      2.12765713      2.35161189
  O     -0.16154270      2.20041429      1.55111396
  H     -5.72108960      3.06559726      5.13262684
  H     -8.84035889      1.60118669      3.33326112
  O     -5.11928743      5.83785707      3.00061077
  H     -6.74134634      2.96545408      3.97625532
  H     -2.90472750     -0.09480592      4.05189563
  O     -4.23403354      0.19608830      1.09566956
  H     -4.92324677      4.16826939     -0.47981726
  H     -4.36871958     -0.60328310      3.97400607
  O     -5.93900859      0.04242606      4.52057695
  H     -4.66475605      3.88615219      1.02435213
  H     -0.89971649      0.68068801      4.46622107
  O     -5.45791290      1.96385115      6.61689945
  H     -3.20440868      5.35000453      0.38491857
  H     -1.75840286      1.97126310      4.44359825
  O     -1.84320862      3.44104579      3.39661891
  H     -2.24067962      5.89034380      1.45516376
  H     -7.09874307      2.18704998      0.25232124
  O     -7.90280152      1.74611362      3.23873588
  H     -1.94137173      1.39192711     -1.18181141
  H     -6.81757610      3.62136425      0.71831406
  O     -3.47696183     -0.74552899      3.62245809
  H     -1.46630310      2.84305891     -1.39083476
  H     -2.17907878     -1.61063713      2.69788343
  O     -1.69602713      1.08891848      4.83530804
  H     -5.54253533      0.63405025     -0.16065040
  H     -1.43749421     -2.84781544      2.14587657
  O     -7.41492425      2.88161559      0.85215450
  H     -5.63981724      1.68276080     -1.28891344
  H      0.39619006      0.74729406      2.69793396
  O     -1.42347906     -1.89404222      2.15624582
  H     -0.68633145      2.66490936      2.21884890
  H     -0.07481241     -0.70634365      2.92279989
  O      0.36415637      0.03734072      3.35330975
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  H     -2.24893995      6.99956204      3.80236128
  O     -2.44320142      6.19448334      3.33052752
  H     -5.23875888      5.60010853      2.07338629
  H     -3.41370869      6.12354175      3.28334982
          69
 Energy    -247.94635230187802     
  O     -6.24464782     -2.64191054     -6.97231477
  H     -6.71015364     -2.84391296     -6.14610961
  H    -12.77453064     -3.27808606     -7.01121935
  O     -7.69027887     -3.80452322     -0.79386174
  H     -5.83097344     -3.47567306     -7.22677502
  H     -9.35053674     -1.00387181     -5.07204566
  O    -11.14838383     -3.73125980     -1.90575125
  H     -8.23796922     -3.06776280     -1.10119868
  H     -8.43431239     -2.08487762     -4.42983985
  O     -8.31375240     -1.87760777     -8.60494543
  H     -8.23272443     -4.59914313     -0.87431669
  H     -4.55835397     -4.70865205     -4.06989264
  O    -12.03537651     -4.67709397     -4.26917828
  H    -10.63170754     -2.93313037     -1.73672018
  H     -3.48567201     -3.87756993     -4.79853612
  O     -9.66413817     -6.35149754     -4.02753594
  H    -10.61955512     -4.46953642     -1.57825194
  H     -4.78723692     -5.87130765     -7.67511340
  O     -6.46486563     -0.05767478     -3.39421538
  H     -7.53030151     -2.08425267     -8.06852831
  H     -4.81234103     -5.15028987     -6.30647467
  O     -4.46315485     -1.73219299     -2.33638853
  H     -8.00134564     -1.42734594     -9.38554588
  H     -5.27639185     -1.23659645     -6.19006352
  O     -8.02488773     -5.80183970     -6.23822971
  H    -11.74476772     -4.24470738     -3.44619487
  H     -5.35245845     -0.27328166     -4.97504515
  O    -10.20914973     -0.99612645     -6.64145393
  H    -12.78753254     -5.21668695     -4.03555337
  H     -9.22842120     -1.45986533     -2.57746882
  O     -2.77000461     -2.11135557     -4.56587360
  H    -10.43804159     -5.82354940     -4.25485878
  H     -8.81247289     -0.90038963     -1.20437145
  O    -11.88397665     -3.32181514     -6.67032503
  H     -9.08020574     -6.32475544     -4.79643182
  H     -5.23275827     -3.34628873     -2.56958838
  O     -8.82148481     -1.20635975     -4.28976146
  H     -7.28023277     -0.40053268     -3.78910504
  H     -6.39025452     -4.19144921     -2.00611836
  O     -3.99231254     -4.69695477     -4.85326289
  H     -6.72615913      0.26860562     -2.52448481
  H    -10.40920016     -4.08149235     -7.58524677
  O     -5.32515781     -5.31404055     -7.11944178
  H     -3.74328722     -1.81964923     -2.97234119
  H     -9.15867878     -3.57135272     -8.31614172
  O     -4.75832601     -0.62607995     -5.64891389
  H     -5.12528253     -1.15072210     -2.73903012
  H     -9.54370985     -6.77077076     -0.90670636
  O     -9.28845224     -1.62588673     -1.62383167
  H     -7.11790455     -5.78562935     -6.56457206
  H     -9.40994531     -6.13528646     -2.31002741
  O     -5.72905576     -4.16593127     -2.71022177
  H     -8.58021978     -5.37662585     -6.91205373
  H     -5.23237728     -1.78747922     -0.60232653
  O     -9.57770407     -4.37254619     -7.97943785
  H     -9.59109857     -1.18987000     -7.35710334
  H     -6.43508168     -2.55950829     -0.01743023
  O     -9.40073665     -5.94182970     -1.35554603
  H    -10.83857961     -1.72786512     -6.63609387
  H     -7.80843583     -4.35089697     -5.15048916
  O     -5.89638254     -1.76631206      0.10040700
  H     -1.90718701     -1.76964435     -4.78394157
  H     -6.90526860     -3.77616695     -4.01310522
  O     -7.53463295     -3.53852322     -4.70649786
  H     -3.42159004     -1.54302195     -5.01588643
  H     -6.85665656     -0.36258121     -0.32532666
  O     -7.41647932      0.33406938     -0.71292022
  H    -11.93637260     -3.76775498     -5.81016919
  H     -7.43989332      1.05022493     -0.08420343
          69
 Energy    -247.94630556834051     
  O     14.24872006      4.50258733    -10.11542470
  H     14.43313183      5.21122153     -9.48757227
  H     17.17256343      9.20166271    -12.45988945
  O     17.53032466      9.07712460    -14.23981214
  H     15.06165258      4.38419103    -10.62282109
  H     15.29701858      8.48424364    -11.92164895
  O     15.75801825     11.80673406    -11.54632022
  H     17.16354707      8.33998906    -14.74567300
  H     13.92513672      8.05769578    -11.33913353
  O     11.08731335      7.47831575    -14.23175554
  H     18.46119824      8.86399062    -14.08862285
  H     12.69359979      4.42729250    -10.87983884
  O     19.16050404      4.09018374    -12.69545643
  H     15.59056947     11.62884862    -12.48950006
  H     11.33898132      3.68696400    -10.94107755
  O     12.40977389      5.11976948    -13.99414954
  H     16.07185225     12.70508693    -11.48675811
  H     20.95354825      8.49468523    -13.58698279
  O     17.25582200      6.95843465    -10.06935990
  H     11.54546248      6.61895718    -14.22341915
  H     19.98054954      7.63210462    -12.74886069
  O     13.29626219     10.93871356    -10.31299925
  H     10.26527047      7.34568307    -14.69639123
  H     14.80014741      6.59366831    -13.07546298
  O     19.09315853      5.73829819    -14.85523399
  H     19.13276871      4.60366256    -13.52267022
  H     15.63609533      5.29992171    -12.95375435
  O     11.75364854     11.42898197    -12.57671061
  H     19.68599701      3.31402907    -12.86869477
  H     14.60760695     10.53780428    -14.28692696
  O     13.06914767      9.44207610    -14.05932994
  H     13.36518084      5.25846571    -13.95279827
  H     16.15523834     10.43252950    -14.32222523
  O     16.89490076      9.26136359    -11.53453963
  H     12.16512258      4.76623956    -13.12871610
  H     16.00292440      6.41389732    -14.92313891
  O     14.46515477      8.04571387    -12.13907911
  H     17.16707220      7.80880944    -10.52547154
  H     16.07093706      6.77975459    -16.42561486
  O     11.82309731      4.41770572    -11.31614531
  H     16.52925855      6.90974638     -9.43607479
  H     19.64936097      5.67344951    -11.70201767
  O     20.07949778      8.11385760    -13.58992837
  H     12.66403638     11.16797071    -11.00964014
  H     18.99231050      6.71880945    -10.77892419
  O     15.09545476      5.81246122    -13.56882729
  H     14.14670068     11.26692480    -10.62457538
  H     11.26918994      6.22649445    -11.27534711
  O     15.42291044     11.03470760    -14.13929111
  H     19.52856886      6.54413238    -14.54982798
  H     11.02087707      7.40546523    -12.23366387
  O     16.56526189      6.81120724    -15.61069421
  H     18.24454382      6.02129212    -15.21725755
  H     17.48023924      4.33197694    -11.93646457
  O     19.73938410      6.57685493    -11.37426976
  H     12.17406312     10.76783332    -13.14724372
  H     16.87476172      5.47394327    -11.07986851
  O     11.09757701      7.17714143    -11.30134002
  H     11.47313963     12.13357263    -13.15559497
  H     14.22441546      7.34541931     -8.89008270
  O     16.65141070      4.67781024    -11.58501042
  H     13.57698651      8.99154483    -13.36685022
  H     14.80040492      6.83604664     -7.54880317
  O     14.90499757      6.77176372     -8.49463711
  H     12.35005235      8.83529773    -14.27693929
  H     12.25305781      7.95741178    -10.19285558
  O     13.04881381      8.28830190     -9.74976710
  H     16.59745898     10.16832600    -11.38618001
  H     13.08745914      9.25231053     -9.85074612
          69
 Energy    -247.94607414961175     
  O     -8.86700242     -3.16710432      4.29466095
  H     -8.28397681     -3.14649368      5.06568822
  H     -6.59393611     -1.03332766      3.43698408
  O     -8.31156464     -2.01158150      0.77919747
  H     -9.33251285     -2.32606633      4.29561865
  H     -6.50785773     -3.45302165      6.95979685
  O     -7.74822970     -4.38922576      2.10741110
  H     -8.21847746     -2.93831111      1.02809483
  H     -6.27935725     -2.56917234      5.70755201
  O     -4.28936706      1.11352386      1.56944306
  H     -7.89949712     -1.51512834      1.50323258
  H     -1.32978182      2.49978861      5.61075745
  O     -8.08768220     -0.26496812      6.55305246
  H     -8.03351336     -5.29856917      2.07692768
  H     -2.82959508      2.88736105      5.58344912
  O     -5.11995259      5.00878908      3.77884817
  H     -8.16395135     -3.99271087      2.89363615
  H     -8.97078946      2.87902305      3.96580055
  O     -5.27905817     -1.95975780      4.43462428
  H     -4.17526484      0.28787859      1.08213267
  H    -10.36894151      3.19159286      4.54600675
  O     -3.17483839      3.48440347      2.65620501
  H     -5.18976376      1.41547886      1.38708598
  H     -9.93625530      2.39013128      2.02375268
  O    -10.60636192     -0.56331586      1.55912949
  H     -7.68216286     -1.13358540      6.66187269
  H    -10.09497557      1.15250123      1.13658542
  O     -4.35811820     -1.33330588      0.12700710
  H     -7.36983111      0.35610532      6.36727803
  H     -4.88151398     -2.71282131      1.38442425
  O     -3.91555920      0.41215739      4.25494917
  H     -5.02847318      5.92214950      3.52098738
  H     -5.92533545     -3.71507118      1.97136517
  O     -7.22908927     -0.54270552      2.90383147
  H     -4.42131787      4.51295581      3.31461585
  H     -6.88643480      0.44150528     -0.36206139
  O     -6.94594188     -2.85911199      6.35659064
  H     -5.09225473     -2.50605488      3.65484686
  H     -7.36665176     -1.01628040     -0.44413213
  O     -2.13061710      2.40875051      5.10224627
  H     -4.66517354     -1.21385979      4.44099068
  H     -9.17278176     -0.27216692      5.19328977
  O     -9.89322461      2.57616337      3.99324885
  H     -2.66187409      3.14453664      3.40021500
  H     -9.84088869      0.69273951      4.19168099
  O     -9.69898007      2.03676243      1.15939153
  H     -3.45324212      2.71202838      2.14763634
  H     -4.59282810      4.25977007      5.49638653
  O     -5.05687569     -3.31922149      2.11395403
  H     -9.94765349     -1.15799152      1.17570834
  H     -4.95681779      2.95926602      6.23224149
  O     -6.72063157     -0.39392416     -0.81040236
  H    -10.46446987     -0.59830986      2.51096502
  H     -6.55270203      2.06189784      4.99581604
  O     -9.61750140     -0.23709548      4.32906176
  H     -3.76496767     -1.58465765     -0.57702663
  H     -5.37510164      1.08409397      5.20463573
  O     -4.29049869      3.65812962      6.18780411
  H     -5.18420160     -1.03673086     -0.29471554
  H     -7.95041310      1.86654870      1.10978879
  O     -6.10034523      1.52890471      5.66371367
  H     -3.20158157      0.97119389      4.58402227
  H     -7.04617309      0.84433260      1.85735329
  O     -7.02519569      1.64140889      1.29997026
  H     -4.04558851      0.64090153      3.32376553
  H     -7.09434691      2.73065312      2.81161179
  O     -7.21456744      3.17404739      3.66185486
  H     -8.02902551     -0.42358269      3.43366527
  H     -6.56937018      3.89205021      3.70109247
          69
 Energy    -247.94596786700100     
  O     11.36662753      8.42024503    -10.54497583
  H     11.86865022      9.20841235    -10.26838570
  H     15.67089842      7.04204755    -16.69627034
  O     15.97413146      3.54648714    -12.35897166
  H     10.48297586      8.51722609    -10.20152630
  H     16.51938697     10.20340451    -14.37260442
  O     13.32557991     12.61415956    -11.86675591
  H     16.42587445      3.89315616    -13.15012280
  H     15.16798080     10.98372547    -14.25758381
  O     16.10568142     11.86794250    -11.61430333
  H     16.12040542      2.60480789    -12.34601269
  H     15.54782808      7.11641151    -12.00626511
  O     12.71272870      8.10481377    -17.21169476
  H     12.96785225     13.47830165    -12.05347427
  H     15.84725476      8.21384692    -13.05504474
  O     15.48373421      7.15513659     -8.88791059
  H     13.26627115     12.10176395    -12.69116593
  H     13.85042784      6.48237507     -9.76560961
  O     13.08659688      6.54278222    -14.88891275
  H     16.30300638     11.68779798    -12.54204300
  H     12.48339517      6.89407588    -10.34004361
  O     13.29106636     10.99315867    -14.07892259
  H     15.22820557     12.26964005    -11.61696501
  H     16.36554082      6.16819817    -10.23324203
  O     15.41303850     10.65558448    -17.14780211
  H     12.71667668      7.46738831    -16.48536447
  H     16.40790507      5.03580942    -11.33162052
  O     17.26100404      4.75898842    -14.41703326
  H     13.56389626      8.00846913    -17.65638033
  H     14.23715774      4.29284271    -12.65489540
  O     17.09845724      8.48419127    -14.31998298
  H     15.56599618      8.06839535     -9.21187644
  H     13.28416374      5.26231512    -11.92731897
  O     15.71359129      6.63067738    -15.82388122
  H     15.55607550      7.19442164     -7.93764337
  H     18.07212179      6.46018233    -12.13832304
  O     16.12072769     11.08603358    -14.39458586
  H     13.16937380      5.81808400    -14.24997556
  H     19.56600009      6.73102243    -12.43455414
  O     15.22654469      7.95228451    -12.36284254
  H     12.81197414      7.30106852    -14.35535519
  H     15.90177830     10.42361489    -10.52117337
  O     13.13298364      6.17988599    -10.33174208
  H     13.01750774     10.14109948    -13.70641403
  H     15.42386779      9.03165456    -10.95593322
  O     16.74033162      5.90909236    -11.08341597
  H     12.98063857     11.01171934    -14.99226823
  H     15.80670835      8.12235356    -19.03067615
  O     13.45511608      4.83989814    -12.78141041
  H     14.46776188     10.84141379    -17.08473941
  H     15.50694322      9.04244076    -17.82241238
  O     18.70146578      6.71051872    -12.83660500
  H     15.79177723     10.91490732    -16.29926691
  H     13.82840240     10.21911183     -9.90071166
  O     15.57277422      9.58296887    -10.17244277
  H     17.90153407      5.35295666    -14.00905896
  H     12.95222868     11.31320505    -10.52913525
  O     15.42462645      8.13141366    -18.15751035
  H     16.72085064      5.31168257    -14.99881766
  H     12.53908972      9.81171995    -16.91339373
  O     12.91984075     10.54484625     -9.94643973
  H     16.65392364      7.86356148    -14.91713417
  H     11.89788243     11.15839765    -17.32365871
  O     12.57106764     10.77487349    -16.76838225
  H     17.79000657      7.99051107    -13.86148964
  H     13.53450228      8.27840046    -12.75400742
  O     12.64818812      8.55815854    -13.03644114
  H     14.80875280      6.58169535    -15.48267751
  H     12.07516948      8.48475345    -12.26490924
          69
 Energy    -247.94588356054561     
  O     12.11281148      7.80654648    -15.42273075
  H     12.92069563      7.48519129    -15.84640061
  H     17.67265122      7.12127414    -13.92773752
  O     17.02003514      7.69695398    -12.36957423
  H     12.06762280      8.75094868    -15.61103731
  H     19.20820233      9.89915006    -15.08512648
  O     15.68675663     11.96028335    -12.43947963
  H     17.37636791      8.55352059    -12.09870908
  H     19.04227301      8.49757895    -14.48645825
  O     16.39316575     11.31070621    -15.02139089
  H     16.37468020      7.41920618    -11.70642550
  H     15.28716397      9.80877167    -17.33303063
  O     15.83332350      4.87725938    -14.96599598
  H     15.63781097     12.11340089    -11.48447508
  H     15.24293179     11.06167993    -16.46863628
  O     13.48826401     10.08707009     -8.95005778
  H     14.83029879     11.58904386    -12.69143754
  H     15.02283361      8.23397520    -14.86644266
  O     14.98436241      7.05138714    -10.64750873
  H     16.11985539     10.40099857    -14.82171086
  H     15.84244632      8.41045245    -13.55338107
  O     13.37771871     10.57166700    -13.29776618
  H     16.22840785     11.80814545    -14.21152082
  H     10.92089758      6.28940152    -12.95440633
  O     16.92116010      8.45071178    -17.03686411
  H     15.85406068      3.93535841    -15.11214134
  H     11.84216105      7.14751440    -13.85377726
  O     15.82212597      8.47115782     -8.46353544
  H     15.30669014      5.02301112    -14.15884020
  H     17.99675741     10.31266864    -10.18994118
  O     18.52558241     10.78617726    -16.63898015
  H     13.16503967      9.61836919     -9.73622069
  H     18.69745593     10.54147067     -8.83321243
  O     17.88690964      6.88487493    -14.84429380
  H     12.72940795     10.23410382     -8.39026466
  H     14.60251449      5.77846724    -11.98719899
  O     19.27829116      9.40429132    -14.25991269
  H     15.33237552      7.38933869     -9.80929340
  H     13.38745881      5.76167619    -12.91986699
  O     14.73607352     10.57036939    -17.13086114
  H     14.25467676      7.63659514    -10.88946190
  H     17.21964467     10.85382053    -12.22101380
  O     15.27354228      8.86715379    -14.18486431
  H     12.85562187     10.75873673    -14.08515213
  H     18.48614788     10.09568731    -12.76614598
  O     11.75037812      6.75988500    -12.96439014
  H     14.03363845      9.91169399    -13.58312689
  H     14.79100888     11.41395388     -9.42200515
  O     17.85155887     10.34814877     -9.22973108
  H     17.51783022      9.20361644    -17.11748298
  H     16.32688798     11.51767643     -9.40279051
  O     14.27298099      5.39567396    -12.81032132
  H     17.27809729      7.92937377    -16.30168167
  H     12.33475083      8.06362415    -11.76628686
  O     17.95777895     10.28065030    -11.97534670
  H     15.04082403      9.03869986     -8.46807450
  H     12.94262949      9.47217533    -11.93680932
  O     15.52845452     11.97036742     -9.70134161
  H     16.56984989      9.05095470     -8.65466436
  H     11.66870676     11.14484655    -16.44048358
  O     12.79765846      8.76539405    -11.29084895
  H     18.83922356     11.53946955    -17.13228469
  H     13.11162194     10.59482307    -16.41943380
  O     12.27309146     10.61562225    -15.92637582
  H     17.80429809     11.10286923    -16.06674712
  H     15.00154570      6.21584838    -15.92639440
  O     14.65273625      7.03910661    -16.29478413
  H     17.37393120      6.08317624    -14.99937292
  H     15.38213780      7.46377725    -16.76642271
          69
 Energy    -247.94585013950046     
  O     15.89303682     11.82190129    -10.32401871
  H     15.50599087     11.78312295    -11.21006711
  H     16.56065555      7.20661861     -8.94774924
  O     12.51565927     12.50730755    -11.69136298
  H     16.84991312     11.81826738    -10.43881646
  H     19.12904242      8.11175591    -14.14128885
  O     13.46545090      7.50975205     -9.10076743
  H     13.27014155     12.36394414    -12.27398940
  H     18.02193382      7.97095095    -15.20571962
  O     15.59163953      5.62765826     -8.85866311
  H     12.86604310     12.96563418    -10.91341066
  H     19.16523825      9.78061282    -10.54707127
  O     12.33922932     11.04166814     -8.15812849
  H     14.09744171      6.79710519     -8.95440460
  H     18.56860087      8.54803899     -9.83878688
  O     10.97691063     10.58641979    -10.59924317
  H     13.95476967      8.32953723     -8.95171311
  H     11.44243851      8.79244924    -11.04559595
  O     13.70090589     13.35767644     -9.31144428
  H     15.45347126      5.30037413     -9.76632175
  H     12.41745345      7.74495606    -10.44870817
  O     16.66977730      6.64104667    -15.58366930
  H     15.68968431      4.86163463     -8.30028820
  H     17.01521551      9.71859058    -12.72105630
  O     14.91075203     11.64056122    -12.96171062
  H     11.74835765     10.90306037     -7.42143263
  H     17.91352782      9.93117430    -13.95081442
  O     16.22506869      8.32407203    -11.83306039
  H     11.83729842     10.83131490     -8.96036079
  H     20.60019228      6.84450109    -12.45503529
  O     17.23872297      5.94649005    -12.93565358
  H     10.06934659     10.84329926    -10.74392759
  H     19.58291800      7.78874884    -11.77874562
  O     16.92541720      8.08650198     -9.11156120
  H     11.52408708     11.24635888    -11.06484393
  H     14.03440664      7.92751083    -14.26332488
  O     18.69055386      8.57782448    -14.86471455
  H     13.25882264     12.70297472     -8.75865820
  H     13.66267140      6.45609109    -14.15845384
  O     19.29457400      8.83521290    -10.40962142
  H     14.55567401     12.96977956     -9.54309005
  H     11.97695855      5.07147353    -12.72830316
  O     11.88542980      7.95780800    -11.23534031
  H     15.74382488      6.82228243    -15.34093905
  H     12.34054464      6.46385854    -12.17780461
  O     17.43674121     10.40702713    -13.25752873
  H     16.64908847      6.19922713    -16.42836704
  H     14.34843143      5.12536217    -11.83900355
  O     19.71571921      7.19180226    -12.53628229
  H     15.79450062     11.42805647    -13.28569240
  H     15.89547679      5.12391197    -11.97859863
  O     14.15013596      7.07813377    -14.71014893
  H     14.42170424     10.80200713    -12.99472188
  H     18.28204313     11.21258693    -11.93807548
  O     12.69722387      5.69298015    -12.64808736
  H     16.51315676      7.49334553    -12.23214386
  H     19.22784688     12.25742419    -11.29662455
  O     15.16559284      4.86099696    -11.40128462
  H     16.44191550      8.27783459    -10.89460553
  H     14.65199942      8.82267732    -12.43741406
  O     18.62161948     11.55028844    -11.09001760
  H     18.14138977      6.24503516    -12.76102338
  H     13.10761770      8.80382613    -12.32409943
  O     13.83628866      9.14199418    -12.85655047
  H     17.07794950      6.06990640    -13.88096560
  H     15.24921938     10.55359056     -9.23545732
  O     14.87393399      9.90517158     -8.62125988
  H     16.29078361      8.72809003     -8.76359314
  H     14.04261975     10.28614934     -8.31347363
          69
 Energy    -247.94580184669957     
  O     13.14667389     10.40961880    -10.54172213
  H     13.49889373      9.63213918    -10.09542913
  H     13.57773638      6.81947874    -14.19258430
  O     12.14233731      4.85572895    -12.12780043
  H     13.91484727     10.89183018    -10.87888477
  H     15.27808367      4.96292069    -11.41694428
  O     14.60035345     11.56999345    -14.34605318
  H     11.42542591      4.24902631    -11.96572365
  H     13.78785460      4.95178939    -11.08510325
  O     16.65788027      8.98140855     -8.97788212
  H     11.89809517      5.70365830    -11.71314869
  H     15.14262939      8.17915573     -9.41424782
  O     19.12234254     10.39753721    -11.42568092
  H     14.89304760     11.68490157    -13.42959232
  H     14.52610344      6.87899867    -10.05102798
  O     11.55837758      9.62950710    -12.57643461
  H     14.11102115     10.74200307    -14.36094729
  H     16.65174016      4.96904682    -16.10068816
  O     16.73361872     11.14590305    -15.96589857
  H     17.44964956      8.52690750     -9.29272531
  H     17.80379033      3.94014913    -16.21245898
  O     15.47942879     11.38077176    -11.72523948
  H     16.83068275      9.91983089     -9.11718366
  H     12.56419060      7.48579549    -10.50784484
  O     17.77567354      6.91806170    -12.49002707
  H     19.21293006      9.51494824    -11.04862078
  H     11.55206290      8.03641273    -11.53422667
  O     15.19226335      5.77065223    -16.63008742
  H     18.99289408     10.28788785    -12.37870599
  H     12.85841538      9.00247450    -13.71682559
  O     16.09229260      4.85268608    -13.16727192
  H     10.81345374     10.20880210    -12.71195664
  H     14.37312911      8.70538656    -13.48968297
  O     13.69009032      5.86234579    -14.23644712
  H     12.07969471     10.00359457    -11.84187255
  H     18.57518988      7.40966600    -11.01428071
  O     14.64702084      5.21425943    -10.73214804
  H     16.88825160     11.86518543    -16.57235559
  H     19.62261768      7.19852823     -9.89595037
  O     14.36543818      7.81922569     -9.87176492
  H     15.98282207     11.40625486    -15.40354305
  H     18.09538705     11.27365872    -10.37553184
  O     17.45768828      4.63805870    -15.66309127
  H     16.12564807     11.64080315    -11.05754388
  H     17.86825936     12.34390708     -9.27746233
  O     11.76429532      7.26225563    -10.99994286
  H     15.66929756     10.45466732    -11.94046753
  H     18.09920337      6.43521256    -15.41300401
  O     13.67202492      8.73441943    -14.16404359
  H     18.04319056      7.16082477    -13.38659435
  H     17.30615184      7.75595543    -15.50406152
  O     18.95418537      7.80236904    -10.20917429
  H     17.20041635      6.14726881    -12.59014640
  H     16.40352711      8.14510353    -12.36033486
  O     17.43022737     11.65833302     -9.77321675
  H     14.54419412      5.67517952    -15.91887644
  H     15.16191062      8.34896104    -11.44621194
  O     18.13838380      7.37309071    -15.19012804
  H     15.36016825      6.71977221    -16.69564805
  H     18.71347784      9.11873202    -14.55728419
  O     15.58726361      8.64725549    -12.26146848
  H     15.27024643      5.22237689    -13.52216498
  H     18.05475728     10.49073128    -14.71136315
  O     18.64853718      9.98671772    -14.14290963
  H     16.61869332      4.59856807    -13.93515849
  H     16.08320207      9.41196033    -16.23335047
  O     15.72793799      8.51957839    -16.12820299
  H     13.07935422      5.47099891    -13.59802138
  H     14.96755765      8.60037471    -15.53801138
          69
 Energy    -247.94557145265958     
  O     -6.65443961      1.52076644      1.07060958
  H     -6.66600702      1.74565133      2.00764537
  H     -0.88553772      4.65056672     -0.93328158
  O     -4.83482664      1.89278102     -2.52368322
  H     -5.92815387      2.04304026      0.69334277
  H     -4.32471517      3.74461421      0.30282139
  O     -6.06964486      2.15454796      3.75400944
  H     -4.05606680      2.24607111     -2.97055157
  H     -3.79708531      2.29437455      0.37462328
  O     -0.96820450     -1.53686614      2.84359771
  H     -4.76717774      2.24078431     -1.62174459
  H     -0.83799612      1.66603895      0.44382469
  O     -2.79054795     -1.37887275      0.72496072
  H     -5.27270882      2.70011845      3.62815507
  H      0.50910447      1.27057908      1.06563004
  O     -4.46152373     -0.89125699     -2.71165249
  H     -6.57047702      2.56110873      4.45613108
  H      1.66519979      4.12233347     -1.08355728
  O     -5.55812188     -1.05959215      0.95241787
  H     -1.56854853     -1.60672616      2.08853550
  H      0.66214744      3.29111967     -0.26881799
  O     -2.03063279     -1.67934556     -1.95244400
  H     -1.53046307     -1.35932561      3.60821249
  H     -7.60245254     -2.28524310     -1.75536186
  O      0.74733103      0.55696258      2.78709107
  H     -3.75688641     -1.35501791      0.76031211
  H     -7.16350700     -0.81531778     -1.54936712
  O     -0.78564862      0.86604050     -2.28081315
  H     -2.52292193     -1.55390529     -0.18653070
  H     -0.77821903      1.53990962      3.49844158
  O     -2.66835770     -0.59541163      4.92045618
  H     -4.58632660      0.06709105     -2.67924430
  H     -2.02674409      1.00898131      4.23774098
  O     -1.83914643      4.74088400     -1.06949221
  H     -5.26677172     -1.28335872     -2.35582557
  H     -5.26356855     -0.84719391      2.82998817
  O     -4.52471030      2.84052262      0.03688548
  H     -5.91215324     -0.15898179      0.98996771
  H     -5.44829694      0.37827720      3.75864085
  O      0.11617915      1.65718071      0.27454553
  H     -6.00817775     -1.47946405      0.20988211
  H     -2.34214256      1.49968461      2.01664957
  O      0.83878224      4.18227562     -0.61086566
  H     -1.76020236     -2.45293335     -2.43936317
  H     -2.60239448      0.39101509      0.95181079
  O     -6.87803429     -1.74305179     -1.45627080
  H     -2.91031555     -1.42314014     -2.28893146
  H     -3.69156496      6.13941259      1.01121314
  O     -1.68416017      1.76581154      3.74171461
  H      1.55602808      0.33387659      3.23961751
  H     -2.82399989      5.07852802      0.29927222
  O     -5.06083680     -0.50512981      3.70858021
  H      0.19918278     -0.24932914      2.77597914
  H     -7.32769957      1.20533818     -0.67935536
  O     -2.51340037      1.34551038      1.07907818
  H     -1.15155396     -0.02088600     -2.18065950
  H     -6.64946565      1.33603156     -2.06312326
  O     -3.45878468      5.21493887      1.02727378
  H     -0.33267318      1.06957680     -1.45292001
  H     -2.99237245      3.12468048      3.60905195
  O     -7.38666198      0.91715835     -1.60052501
  H     -3.54653348     -0.61691336      4.49795360
  H     -3.61013921      4.17629192      2.65028453
  O     -3.80059687      3.61504075      3.41126451
  H     -2.78475406     -0.90994968      5.81252692
  H     -1.74922147      2.16296560     -2.93997483
  O     -2.30112730      2.89500986     -3.26878978
  H     -2.06427262      4.16238886     -1.80603580
  H     -1.93851543      3.14895221     -4.11377486
          69
 Energy    -247.94556509923541     
  O     18.47134636      9.12174198    -10.24268487
  H     18.98112037      9.77141221     -9.74251019
  H     18.65255961     11.82018458    -12.19861290
  O     14.81172187      9.23327400     -8.87773492
  H     17.65513083      9.54590433    -10.53976961
  H     19.78495541     10.53721773     -7.88835786
  O     18.39604096      3.42112031    -10.63802372
  H     15.51566106      9.01365554     -8.24275877
  H     19.42209591     11.78933442     -8.77710058
  O     21.27327097      6.40310009    -11.51636758
  H     14.09181439      9.59517572     -8.36694988
  H     19.11594707      8.48235900    -11.72312821
  O     18.47472920      4.86233423    -14.86704403
  H     17.64634605      4.02654353    -10.76245012
  H     18.64980377      7.64011881    -12.94125429
  O     22.85121228      8.17821090    -10.01564577
  H     18.02346595      2.56339951    -10.44845388
  H     20.66438102      4.85512481    -12.43263672
  O     16.82529870      8.49639814     -7.19457902
  H     21.92560899      6.95879790    -11.07145682
  H     19.57775444      3.81142322    -12.09709320
  O     21.13846495      7.46252895     -7.82223236
  H     20.65888428      7.00575952    -11.95908057
  H     15.59477057     10.00721616    -10.36421231
  O     19.54634027      9.27847058     -6.53347333
  H     19.11513595      4.56650092    -14.19678017
  H     15.76159627      9.70747707    -11.88215869
  O     17.92588264      6.74309085     -9.01029020
  H     18.68570807      4.38565013    -15.66439902
  H     14.72002057      8.62151835    -13.97767286
  O     18.48597123     13.22917528     -9.21218245
  H     22.50386394      9.04036081    -10.30818105
  H     15.87314965      7.85052992    -13.29236700
  O     17.95506422     12.29203712    -11.72903763
  H     23.79609624      8.27604114     -9.93375154
  H     21.20206841     10.77964720    -10.00872159
  O     19.91898276     10.95806420     -8.74558059
  H     17.11617749      7.72172283     -7.69843091
  H     21.27319660     10.71052238    -11.55044933
  O     19.38944633      8.15554798    -12.59643303
  H     17.64384142      8.89429494     -6.87944591
  H     14.41550375      7.72863058    -10.07386985
  O     20.12673244      4.14989415    -12.81491015
  H     20.87499650      6.57830567     -8.10291929
  H     14.41254291      7.56648143    -11.60214405
  O     16.10352064     10.24056866    -11.15261934
  H     21.75740646      7.76933322     -8.49632563
  H     17.53126049      6.01462466    -13.93319244
  O     15.16266186      8.49784259    -13.14212418
  H     19.85395181      9.34048636     -5.63261631
  H     16.95891003      6.14662620    -12.48319814
  O     21.77647311     10.53304906    -10.74877973
  H     20.09633717      8.60009791     -6.96522589
  H     20.36337633     10.96844487    -13.94227359
  O     14.29252157      7.08000157    -10.77757283
  H     18.14840746      7.59658300     -9.41425520
  H     19.84256570      9.84232272    -13.02291780
  O     17.14768931      6.63558458    -13.29628279
  H     18.73796176      6.22302373     -8.97981280
  H     15.59640663      5.79743450    -10.85156003
  O     20.06070890     10.78840404    -13.05521364
  H     18.45271669     14.18108265     -9.18060803
  H     16.97983774      5.86728217    -10.18778054
  O     16.47686380      5.39792371    -10.87259512
  H     18.28145840     12.98259980    -10.13105551
  H     20.59866499      5.57588409    -10.03689782
  O     20.19795080      5.17090692     -9.25224120
  H     17.23277273     11.66186155    -11.60317143
  H     19.67331049      4.42999870     -9.57755692
          69
 Energy    -247.94528274141663     
  O     -8.41801184     -2.51628256      5.56451247
  H     -7.49647074     -2.36831178      5.80700567
  H     -7.43937028      1.13706759      2.83984947
  O     -9.41904584     -2.42297039      3.02020016
  H     -8.93161657     -1.83380924      6.01453618
  H     -5.12362499     -2.51079891      6.78870124
  O     -5.88328922      1.03157119      0.27237040
  H     -9.82010587     -1.55365972      3.15613416
  H     -5.17146658     -1.92284521      5.35908851
  O     -6.17263947      0.78203892      5.95969526
  H     -9.08422346     -2.66793892      3.89737273
  H     -0.92478862      2.18855395      1.29140595
  O     -4.62007623      5.38250661      1.51325911
  H     -6.29703269      0.24814742     -0.10548695
  H     -2.04265335      2.93328231      2.06231277
  O    -10.08299502     -0.37979434      6.59812192
  H     -6.59864951      1.57047269      0.64418516
  H     -8.03147072      4.05340101      4.34896524
  O     -4.49060033     -1.75857205      3.76931967
  H     -6.62365198      0.69009258      5.10444173
  H     -9.43475217      3.48675215      4.06851994
  O     -4.11599138      3.23347719     -0.08904996
  H     -5.93566657     -0.11450142      6.22394842
  H    -11.30129976      2.79896800      2.35641281
  O    -10.10858283      0.16887382      3.86620561
  H     -4.57439340      6.19091905      1.01007425
  H    -10.43676581      1.71239386      3.03904976
  O     -7.15570388     -1.40356847     -0.53523005
  H     -4.48710306      4.65124289      0.88378302
  H     -7.64299167     -2.27129134      2.48182982
  O     -3.97569029      0.63054079      2.33064244
  H     -9.57085073      0.43931205      6.73568495
  H     -6.78190794     -1.86656437      1.25278202
  O     -7.38442964      0.42827216      3.49291019
  H    -10.68088635     -0.45671778      7.33603826
  H     -9.62859026     -2.46591690      1.20539266
  O     -5.65031117     -1.96965013      6.20665034
  H     -4.15879795     -0.95115216      3.35738658
  H    -10.46902996     -2.62461900     -0.07105826
  O     -1.87059119      2.24824764      1.39075801
  H     -5.22493252     -2.03599967      3.20303777
  H     -7.70099110      1.55512085      6.67928630
  O     -8.84755934      3.76761190      4.77835624
  H     -3.28533161      2.88204917      0.25599358
  H     -8.74052934      2.57655737      6.16992897
  O    -10.40589993      2.57929893      2.59957250
  H     -4.72619396      2.48597993     -0.12120259
  H     -3.25519248      4.69087426      2.71355557
  O     -6.75561716     -2.00549451      2.20635086
  H     -9.14336993      0.25453461      3.79851136
  H     -3.24118511      3.60071243      3.80186613
  O     -9.62098381     -2.32374471      0.24578852
  H    -10.28889214     -0.00602412      4.79914504
  H     -5.01333957      1.93518609      5.11461104
  O     -8.61244197      1.85283269      6.79930230
  H     -8.07055534     -1.67444544     -0.34638246
  H     -4.40118155      1.77826904      3.70271609
  O     -2.66841633      4.10351434      3.20565928
  H     -6.85996207     -1.94044602     -1.26720757
  H     -7.32092703      3.14938692      2.15659980
  O     -4.57994662      2.42288102      4.40264731
  H     -4.63875422      0.70588219      1.63130705
  H     -8.71961542      2.56527200      1.79452649
  O     -7.77397297      2.47747356      1.62441207
  H     -3.17240299      1.05063048      1.99761422
  H     -5.81029147      3.59239443      3.75367952
  O     -6.42444613      4.18561458      3.29622096
  H     -7.05639908     -0.36241492      3.04657613
  H     -5.88528870      4.74068510      2.71907390
          69
 Ord_Energy   -247.945038    
 O   -5.37995863       5.03768682       3.09542751    
 H   -6.23634768       4.71696663       2.79272747    
 H   -4.88336515       4.26547575       3.39779973    
 O   -7.80916309       7.72815132       5.80474138    
 H   -8.20099545       8.58094788       5.97118902    
 H   -7.76097059       7.26757574       6.66222382    
 O   -3.99501681       2.92382360       4.32182074    
 H   -3.67500496       2.06714034       4.01575708    
 H   -3.30211830       3.33117723       4.86479759    
 O   -8.97583580       5.41545343       4.62109518    
 H   -8.87284946       4.82715511       5.38106585    
 H   -8.63268948       6.27052784       4.90667677    
 O   -6.03371143       2.42278528       6.05975819    
 H   -5.29593420       2.62890983       5.46610594    
 H   -5.98413563       1.49044168       6.32126141    
 O   -8.32160664       3.81421471       6.84835672    
 H   -7.50032473       3.40454054       6.54463339    
 H   -8.84010887       3.10472965       7.24665976    
 O   -5.89781809     -0.402860463       3.34741426    
 H   -6.31939983      -1.05079460       3.92418909    
 H   -6.50707054      0.346846461       3.31990552    
 O   -5.17752218       6.87454224       5.12487841    
 H   -6.05952024       7.22580242       5.28546858    
 H   -5.24583387       6.27250624       4.36891031    
 O   -9.16598129       7.90969878E-02   5.47752619    
 H   -9.31464863      0.561128557       6.29919767    
 H   -8.81296444      0.713384151       4.83837318    
 O   -7.32888699      -1.89401031       5.31701231    
 H   -7.70776367      -2.76660657       5.36924410    
 H   -8.06685352      -1.25908244       5.37482071    
 O   -5.01157665       3.04255652       8.63697052    
 H   -5.36634302       2.93377161       7.74400616    
 H   -5.02467251       3.98699975       8.83710670    
 O   -8.04135132       4.15328741       2.43732810    
 H   -8.42619896       4.64739943       3.18482423    
 H   -8.51585293       4.41940546       1.65481770    
 O   -9.43075562       1.50003135       7.96993494    
 H   -8.60384655       1.31875134       8.45184803    
 H   -10.1456108       1.35596371       8.58434582    
 O   -3.30623913       6.55393267       6.96830940    
 H   -3.98265219       6.67456007       6.27300596    
 H   -2.66119409       7.24476290       6.84316301    
 O   -7.65283489       1.75768769       3.79332352    
 H   -7.11264944       2.06130648       4.53325844    
 H   -7.82734537       2.53091145       3.24189520    
 O   -2.46506476       2.09583712       8.15970516    
 H   -3.35514450       2.38358498       8.42214012    
 H   -2.00049114       1.87239432       8.96274185    
 O   -3.15212131     -0.165691793       6.49576855    
 H   -2.79893541      0.601518989       6.96101856    
 H   -3.06718373       5.23774978E-03   5.54917336    
 O   -2.24593616       4.02696800       6.08788204    
 H   -2.56608844       4.86957598       6.43067789    
 H   -2.19655323       3.41825271       6.83562899    
 O   -7.01879597       1.04089665       9.13307285    
 H   -6.39264441       1.76578271       9.23785496    
 H   -6.60912752      0.454619497       8.47865772    
 O   -7.59942389       6.23669243       8.05944538    
 H   -6.72086620       6.10611010       8.43217278    
 H   -7.89188528       5.37148046       7.73875332    
 O   -3.30552506      0.293861002       3.67939186    
 H   -4.22165251      -1.65163004E-03   3.52617145    
 H   -2.77729487      -6.65509924E-02   2.97241020    
 O   -5.82657433     -0.195538655       6.96902800    
 H   -6.28110600     -0.864837110       6.44498396    
 H   -4.87152958     -0.305729479       6.84632826    
 O   -4.93103409       5.80750608       9.05331993    
 H   -4.67714119       6.28300428       9.84086609    
 H   -4.33740807       6.10058737       8.34203815    
          69
 Energy    -247.94502682618347     
  O     -4.38974627      2.14236459      4.35167647
  H     -4.98971272      1.47517819      4.71017866
  H     -6.81453988      5.08928782     -0.61986078
  O      0.93184849      4.29477877      0.98582003
  H     -4.82572040      3.00302311      4.41391347
  H      1.55811150      1.24963494      0.91931963
  O     -0.92577824      0.03070972      2.30981779
  H      1.05245899      3.40601097      0.60626005
  H      0.52596399      1.21556436     -0.22807161
  O     -5.57231303     -0.74987178     -0.94825624
  H      1.56168284      4.86547043      0.55389290
  H     -5.64202941      5.39272224      4.89413912
  O     -3.05934864     -1.74170890     -0.79405696
  H      0.01071679      0.05837715      2.54035587
  H     -5.09709404      5.01589272      3.49397417
  O     -4.44853598      1.14793219      1.73350541
  H     -0.97483066      0.15352525      1.35015272
  H     -1.83055774      3.73270432      2.26303727
  O     -7.53612284      3.60334340      2.50020363
  H     -6.20000785     -0.97616990     -0.24846536
  H     -0.89468544      4.50183754      1.29939674
  O     -7.38987720     -1.23367675      1.15692692
  H     -5.65180795      0.20311996     -1.06952360
  H     -4.95028404      5.24177980      1.25733156
  O     -1.74477477      2.43186758      3.53607102
  H     -3.00432730     -2.53756469     -1.31661621
  H     -3.47944036      5.18941657      1.77078246
  O     -5.64724944     -1.90143559      3.33716702
  H     -3.96196636     -1.39350420     -0.91026548
  H     -6.53982335     -0.21675289      5.86784521
  O     -2.86175656      2.43794609     -0.14944681
  H     -4.15262036      0.23610593      1.83779906
  H     -5.96329291     -0.64422795      4.49783388
  O     -6.35713339      4.63772352      0.08527990
  H     -4.49307159      1.53932485      2.61388727
  H      1.05665739      3.60646638      2.79841305
  O      1.26129598      1.72629091      0.13410198
  H     -7.24697677      4.00961832      1.67549062
  H      0.06242893      2.92405608      3.75710335
  O     -5.55804879      4.66855552      4.28032629
  H     -6.97265881      3.98245977      3.18524237
  H      2.55365487      0.24513131      3.18809071
  O     -1.82161615      4.37106119      1.53319498
  H     -7.57467179     -0.43119127      1.67940912
  H      1.59757856      1.46131269      3.11481817
  O     -4.37607394      5.46636888      1.99930961
  H     -8.23010605     -1.66371149      1.01828204
  H     -7.79861966      1.82929393      2.64428008
  O     -6.18648732      0.12607875      5.05138398
  H     -1.53313211      1.58327693      3.12262758
  H     -7.36969722      0.70019287      3.60626034
  O      1.00613929      3.04449526      3.58156733
  H     -2.61042239      2.33499139      3.95325553
  H     -3.17406244     -1.66248285      1.08052147
  O      1.79270042      0.58819172      2.72848427
  H     -6.25132977     -1.80659516      2.59021161
  H     -2.41625119     -1.02985338      2.27719041
  O     -7.82993204      0.87131807      2.77749488
  H     -4.75749834     -1.87108564      2.95900572
  H     -1.71585956      1.12431282     -0.47651891
  O     -3.25965252     -1.42186549      2.01175945
  H     -2.46828485      3.20572965      0.28355523
  H     -1.70044641     -0.40772647     -0.69956718
  O     -1.14168564      0.34220761     -0.46464539
  H     -3.36553523      1.97957372      0.54340210
  H     -5.49782142      1.70722995      0.28237501
  O     -5.56358551      2.08955125     -0.60841927
  H     -6.15353452      3.74611835     -0.24022273
  H     -4.64804643      2.32139322     -0.82324690
          69
 Energy    -247.94489447381358     
  O      4.19885811      0.22647924      6.97586687
  H      4.28242717      0.95467325      7.60518013
  H      7.60474391     -2.60302261      4.58976793
  O      0.50934391     -0.77019172      8.11439384
  H      4.94588325      0.28770903      6.36589119
  H      3.55130797      0.05455705      3.31536266
  O      0.02330219      0.83635648      3.40293136
  H     -0.21123292     -1.19286919      8.57536293
  H      3.99760972      1.51715351      3.04522038
  O      1.75168223      1.43493224      9.53972275
  H      0.11042639     -0.19791236      7.43471488
  H      6.58053726     -0.28135524      5.05151752
  O      5.62238970     -1.72498400      2.22253800
  H     -0.33580095      0.79288429      4.29900622
  H      5.58017654      0.68775059      4.37797318
  O      6.39448667      2.98787738      6.53975178
  H      0.71746110      0.16569136      3.37314131
  H      0.02613345      3.73066501      2.09145720
  O      4.30584048     -3.54211785      5.10631424
  H      2.68436277      1.56622119      9.34506691
  H      0.30533538      2.51455322      3.00694044
  O     -1.41601522      3.26554326      7.13604452
  H      1.46289855      0.63905265      9.07687808
  H      2.16914361     -1.29060591      4.61287976
  O      0.42777151      3.79593350      9.28332284
  H      5.24270632     -0.84185408      2.32939222
  H      2.39897080     -1.84248433      3.18524965
  O      4.35757470      4.67738020      5.32846284
  H      4.86989266     -2.32631743      2.15579636
  H      1.62495313      4.20725885      7.92306608
  O      4.31334776      2.55406278      8.45382704
  H      7.29672571      3.29071486      6.61631255
  H      2.18291647      3.36109592      6.73753750
  O      6.80373903     -2.08799179      4.64478952
  H      6.41960599      2.17799950      6.00483969
  H     -0.83722582      1.70988005      6.51892626
  O      4.31944580      0.60739471      3.11294825
  H      3.68630293     -3.04603675      5.65896039
  H      0.55826567      1.27092530      5.99258884
  O      6.20719582      0.60715442      5.11401253
  H      5.14645075     -3.07092451      5.13171303
  H      0.20934868      4.40044304      4.48692782
  O      0.51958334      3.45333120      2.85902786
  H     -1.06374005      3.87428805      6.46941359
  H      0.86401156      4.84742692      5.81289003
  O      2.13912716     -1.05250240      3.67604176
  H     -0.93943880      3.47199810      7.94820507
  H      2.56344172      2.17990170      4.91301518
  O      2.28990004      4.19658080      7.22226276
  H      0.26614829      4.19478563     10.13423103
  H      2.90725697      1.25704132      6.12067391
  O     -0.33397549      0.94807985      6.19359938
  H      0.83353797      2.92686672      9.45043525
  H      3.00634448     -4.20826545      2.23587393
  O      0.03076660      4.82885204      5.33359419
  H      5.09779644      4.18533113      5.70293196
  H      3.65989351     -3.54936071      3.47706424
  O      2.24273355      1.85882136      5.76539070
  H      3.69321799      4.72657844      6.02783293
  H      2.34260470      3.35577879      3.11926365
  O      3.31623748     -3.37579257      2.58137343
  H      5.11787370      2.76304447      7.96006774
  H      3.61874422      3.75886539      3.95984645
  O      3.21821699      3.07000447      3.40920757
  H      3.65906037      3.20057853      8.15796000
  H      1.75043764     -1.64082289      6.97844432
  O      2.49293354     -1.79391688      6.38342964
  H      6.46194193     -2.00218804      3.73566553
  H      3.16493085     -1.14639131      6.64858065
          69
 Energy    -247.94487164274943     
  O     18.69728161      4.14850817     -8.27559361
  H     19.30460838      3.41297696     -8.25864688
  H     11.33072097      8.23895275     -9.98202163
  O     15.60438189      4.17356821    -11.03720656
  H     18.62942648      4.43491715     -9.20326273
  H     15.75626779      9.78984438     -6.70510067
  O     13.43176085      5.88004960    -10.73148641
  H     15.58455743      3.88466998    -11.95881844
  H     16.62887295      8.76005612     -5.94257923
  O     18.14994578      5.36200688    -13.48948029
  H     16.49088115      4.53453106    -10.90129515
  H     12.28549610      8.23365196    -12.05622968
  O     15.82873918      3.96435499     -8.14961918
  H     14.12911863      5.23731856    -10.92049549
  H     13.62860940      8.58436300    -12.70306638
  O     16.80642416      7.92422205    -12.91622660
  H     13.33090588      6.46829363    -11.49236053
  H     18.39563832      5.09198303    -11.72257579
  O     18.85895023      8.98914709     -8.08619844
  H     17.80709066      6.26382378    -13.50561781
  H     18.14319734      6.05638540    -10.53632233
  O     14.91533445      6.16086786     -6.77630436
  H     17.41060332      4.78960204    -13.72978205
  H     15.44594993      3.25335054    -14.53695499
  O     17.68503340      7.74273206    -10.27054805
  H     16.79239884      3.93966317     -8.09971575
  H     15.28931057      4.69394692    -13.98835321
  O     15.19303172      7.40728591     -9.24637774
  H     15.61259720      3.88003225     -9.08545291
  H     13.46013149      9.44549009     -6.89723224
  O     14.15634121      9.90160055     -9.73939184
  H     16.24633824      8.70912106    -12.87413898
  H     13.48126589     10.90713443     -6.39202918
  O     11.53910322      8.97304722    -10.57299727
  H     17.20463074      7.86533577    -12.03623180
  H     10.71975966      5.91283099     -8.94111292
  O     16.66147171      9.48297581     -6.58177144
  H     18.06416707      9.23832520     -7.57975844
  H     12.08919550      6.23156376     -9.57857424
  O     12.95893667      7.88987604    -12.66158014
  H     19.50074007      9.68065609     -7.94901482
  H     14.76218196     10.84855919    -12.78331628
  O     18.27283104      5.12336301    -10.76368087
  H     15.18387291      5.32174960     -7.17968457
  H     14.67732994     10.06049999    -11.45782127
  O     15.70937941      3.82867134    -13.82444439
  H     15.56664909      6.39684607     -6.10483361
  H     17.63662642      6.83617788     -5.53298964
  O     13.93388978     10.29495207     -6.96583994
  H     16.79676765      7.62276436     -9.89875917
  H     17.07580582      6.93751327     -4.09159792
  O     11.38974722      6.58899720     -9.00664357
  H     18.18882985      8.24217458     -9.61768541
  H     13.43424690      7.21462271     -6.69148943
  O     14.89056640      9.98266880    -12.40283386
  H     15.15801511      7.06705439     -8.34310220
  H     12.17719851      7.48852338     -7.52629957
  O     16.86260415      7.10598432     -5.00491832
  H     14.59465916      6.86233793     -9.77375840
  H     19.01152442      7.25247444     -7.23111701
  O     12.73621541      7.86918707     -6.83936502
  H     14.53575796      9.02372699     -9.57624919
  H     18.86950209      5.70205576     -7.22426046
  O     18.89371547      6.48425423     -6.65965904
  H     14.06006679     10.28914763     -8.86221204
  H     15.51311796      6.85408385    -13.71792979
  O     14.78404701      6.33282751    -14.08294034
  H     12.34513248      9.37332099    -10.22224556
  H     13.98161957      6.77865928    -13.78770592
          69
 Energy    -247.94483004474716     
  O     -1.98462944      4.46068457      4.46962851
  H     -2.37818779      5.07193337      5.08617515
  H     -0.50115883      1.16590780      3.17564732
  O     -2.85608292      3.09819497      2.16277739
  H     -1.68832043      3.69017441      4.98787995
  H     -2.45526800     -1.03076057      2.01121166
  O     -0.90394371      2.34470361      5.80045663
  H     -2.74705379      3.68286260      2.92086330
  H     -3.59987467     -0.23324237      2.68892221
  O      0.17860167      0.55179780     -0.00626219
  H     -2.06876531      2.53345368      2.16559123
  H     -1.53986164     -0.43424740      3.95708678
  O     -1.78056602     -1.34658024      0.34446240
  H     -0.92841377      1.42560478      5.50664214
  H      0.02652312     -0.55028135      4.12409236
  O     -4.67512491      0.97477763      1.95437570
  H      0.03093321      2.58550328      5.84573904
  H      0.28841698     -3.65068579      4.45033965
  O     -3.77744177      0.25216156     -0.69210951
  H      0.20102262      1.29163602     -0.62293210
  H      1.41129698     -4.65663931      4.09517618
  O      0.04247590      3.06458030     -1.27174866
  H     -0.00202854      0.94832719      0.86150604
  H     -1.82646713     -3.75645187      2.32728033
  O      2.54155536     -0.52887470      0.99222166
  H     -1.02464741     -0.77206441      0.15546697
  H     -0.29655402     -3.74797994      2.26452969
  O     -3.18922365     -3.44797130      3.71494727
  H     -1.45171328     -2.19435472      0.67709736
  H      2.24272290      2.42676037      5.10188578
  O     -1.00360100     -2.96502831      5.44893387
  H     -4.55686272      0.75600782      1.02149225
  H      2.41130595      3.49082892      6.21398072
  O     -0.43352705      1.72974337      2.39761290
  H     -4.18510253      1.79808149      2.09003774
  H      4.66315902      2.27698368      1.31212648
  O     -2.89214900     -0.87057866      2.85965815
  H     -3.09929622     -0.37357894     -0.38774455
  H      3.15096158      2.59414722      1.27378097
  O     -0.78275656     -0.16907405      4.50208141
  H     -4.23905598     -0.17572382     -1.40920030
  H      1.49461565     -2.13397521      3.55283394
  O      0.94542018     -3.88989535      3.77277591
  H     -0.90888140      3.05619457     -1.06257953
  H      1.89045988     -1.00917188      2.55278486
  O     -1.08518323     -3.62490546      1.72384420
  H      0.12489589      3.42220912     -2.15176484
  H      2.51742721      0.31842397      4.03739414
  O      1.80424022      3.17282610      5.55186562
  H      3.08419363      0.26014306      1.11452059
  H      3.29118413      1.44626899      3.31685925
  O      3.81045856      1.94962139      1.58566018
  H      1.76329907     -0.23032205      0.50191525
  H      1.09336909      3.97240034      4.02726904
  O      1.54584300     -1.17753520      3.44398536
  H     -4.09611778     -3.73767233      3.76844157
  H     -0.28569145      4.49471228      3.56690576
  O      2.92750759      1.18165517      4.17159398
  H     -3.20781433     -2.51619513      3.43500259
  H     -2.76396691      3.12237386      0.29277423
  O      0.58292371      4.22333838      3.24492115
  H     -0.96464188     -2.00316981      5.41837260
  H     -2.99470881      2.00378075     -0.73967033
  O     -2.57840590      2.86599631     -0.62031297
  H     -1.81550775     -3.21101351      4.98435166
  H      1.44878552      4.08067860      1.57705810
  O      1.91917501      3.73453857      0.80750631
  H      0.02968354      2.53424301      2.66464352
  H      1.26253528      3.57280569      0.11986612
          69
 Energy    -247.94466176496087     
  O     13.94657391      6.44619024    -13.63016889
  H     14.52196864      5.93835448    -13.04272442
  H     18.56438402      5.43404251    -11.93695523
  O     16.39997908      7.63372861    -10.09570606
  H     14.09569316      6.19042704    -14.55274356
  H     17.40182400     10.47511944    -15.54694566
  O     18.54964332      8.58027786    -13.49337903
  H     16.19010796      8.49460790    -10.48202374
  H     17.36918753     11.40641399    -14.32345025
  O     13.50237822      8.84606433    -17.08371790
  H     15.83630599      7.53084376     -9.31883677
  H     15.86766870      8.82923332    -14.63752236
  O     12.39303694      8.76188795     -8.96839871
  H     18.62489081      9.42624626    -13.95263037
  H     15.14239749      7.79718150    -13.72332698
  O     12.00957663      8.10297932    -12.67708615
  H     17.59606629      8.41120561    -13.46796777
  H     14.40628995     12.20502516    -13.32605401
  O     15.62517532      9.95228072    -11.44098972
  H     13.05968351      9.20902094    -16.29562853
  H     13.12544273     13.00514334    -13.63993881
  O     17.12494862      6.68165714    -17.04544943
  H     12.94152531      9.04522913    -17.82843251
  H     13.82732802      5.87735179     -9.18168153
  O     11.11709712      6.65912318    -10.43635118
  H     11.82540766      8.10226171     -9.38769239
  H     14.14004870      5.19780950    -10.52761617
  O     18.55839722      6.12670496    -14.84329204
  H     12.53257138      9.44784197     -9.63371569
  H     12.75088960     10.63367775    -14.41763034
  O     14.40613341      6.22008215    -16.30729553
  H     11.55005243      7.61957034    -11.98037971
  H     12.11426978      9.25017229    -14.14989459
  O     18.24330702      4.64356405    -12.40955492
  H     12.67649522      7.49331770    -13.03092787
  H     18.14059130      7.23412796    -10.67190169
  O     17.96779068     10.92529536    -14.90467507
  H     15.66668429      9.44716278    -12.27147179
  H     18.95243742      7.62701574    -11.92426225
  O     15.77204908      8.52806058    -13.72535736
  H     14.68724546     10.07201367    -11.23898935
  H     15.88902459      6.21505106    -11.17805329
  O     13.44392557     12.13297732    -13.41695191
  H     17.65130345      6.42668074    -16.26620581
  H     16.45123213      5.01298453    -11.96969954
  O     13.43394512      5.34813650     -9.88679859
  H     17.59392870      6.35748333    -17.80945108
  H     14.52616912      7.30999938     -7.11328027
  O     12.37657128      9.85958750    -14.85246844
  H     11.91432439      6.11885571    -10.28730792
  H     13.76076922      7.88545131     -8.32949644
  O     18.90568870      6.98121252    -11.20572820
  H     10.36747617      6.09878301    -10.25533131
  H     12.57702346      9.54477898    -11.76446587
  O     15.63026424      5.43158006    -11.68537634
  H     18.43301272      5.50779496    -14.11565488
  H     12.92351320     11.04837412    -11.89899956
  O     14.49531567      7.30240240     -8.06605802
  H     18.72758871      6.98599911    -14.43259460
  H     16.74206874     12.84814306    -12.44535078
  O     12.88056514     10.32161757    -11.26780543
  H     14.01194945      7.04009405    -16.63067178
  H     16.12797018     11.43843203    -12.29582603
  O     16.20805458     12.19844322    -12.89747075
  H     15.32997683      6.25079009    -16.58525350
  H     15.28504612      9.24496044    -16.72471096
  O     16.19441374      9.26301079    -16.39913785
  H     18.79387105      3.91577453    -12.13339852
  H     16.59901392      8.43159822    -16.68392144
          69
 Energy    -247.94448104172471     
  O     16.36321017     10.32343367    -10.14531220
  H     15.67221381      9.97607595    -10.72685235
  H     13.70619412     10.61664213     -6.99270734
  O     14.52822058      4.98454847     -6.20018104
  H     17.16112448      9.79583452    -10.29847758
  H     13.28442547      8.10817726     -5.07041527
  O     16.56929557     12.46906220     -8.47814432
  H     14.41521072      4.12590281     -5.80262747
  H     11.93578682      8.53827138     -4.44484884
  O     12.18511294      6.05883182     -6.95094204
  H     13.64242452      5.29260445     -6.47174808
  H     18.89086557      3.84983324    -12.08269877
  O     14.43808709      8.99871868    -11.58700842
  H     16.50925826     13.29385644     -8.95265501
  H     17.61289431      4.70329128    -12.12793693
  O     18.48685489      8.63108935    -10.59058164
  H     16.47364214     11.75642516     -9.13389690
  H     15.44930142      6.87910931     -8.43560842
  O     20.39926421      9.66897986     -8.81161596
  H     12.08438600      6.33535419     -7.87372623
  H     15.28885879      5.47415594     -7.79593375
  O     18.20261778      6.13729813     -9.40205927
  H     12.06942348      6.84640154     -6.40760866
  H     17.52873870      8.33003719    -12.21007740
  O     12.05572716      6.94281584     -9.58091824
  H     13.64379029      9.35645167    -11.17067864
  H     16.05764798      8.56663911    -12.62403881
  O     15.17938592     11.33626220     -6.27620492
  H     14.43215744      8.04940605    -11.39209084
  H     14.46022488      8.99600321     -7.93465876
  O     12.22710684      9.81761032    -10.01171880
  H     18.35994417      7.75220347    -10.20309128
  H     15.67072460      9.19040874     -8.88990577
  O     13.03479933     10.04570017     -7.39734578
  H     19.23086059      9.02403249    -10.11705061
  H     18.06549261     11.68442143     -7.63261030
  O     12.37181281      8.38069854     -5.27790970
  H     21.29257991      9.99691251     -8.75588322
  H     18.19057521     10.42352251     -6.75597057
  O     18.33023446      4.40688799    -11.54829508
  H     19.85014557     10.25249964     -8.25751695
  H     15.72966466      7.94296865     -5.13753349
  O     15.59242361      5.93106146     -8.58861324
  H     17.29878326      5.98941724     -9.08862675
  H     14.93410417      6.61828270     -5.26888832
  O     16.87156232      8.12035129    -12.88699738
  H     18.36497984      5.48373834    -10.09522151
  H     14.82161827      6.02435081    -10.21120734
  O     15.29359402      8.60401930     -8.22226120
  H     12.01129351      7.88775191     -9.76115894
  H     14.93809269      5.85001075    -11.74840152
  O     18.70675812     11.08087528     -7.23900776
  H     12.74284257      6.59720109    -10.16448202
  H     19.74344439      8.20687020     -7.64301122
  O     14.91189542      7.50278481     -4.88121152
  H     15.64039184     11.83109754     -6.96696643
  H     18.90311430      6.94780010     -7.86360334
  O     14.39688088      6.24168450    -11.05478617
  H     15.81017573     10.68626962     -5.95101076
  H     16.43792837      8.85613145     -6.86231534
  O     19.17979414      7.57538865     -7.18204990
  H     12.47216909      9.97380843     -9.08402204
  H     17.82705035      8.42723254     -6.34257789
  O     17.05984275      8.98197387     -6.12919084
  H     11.44651903     10.34031127    -10.17927520
  H     15.95670269      5.30638346    -13.99592306
  O     16.25586906      5.49376630    -13.10988887
  H     12.66955312      9.50181540     -6.68683198
  H     16.52834541      6.42963198    -13.09723100
          69
 Energy    -247.94443118622968     
  O     15.64143047      9.81969424    -13.77958754
  H     16.26731786      9.76455649    -14.51466364
  H     13.98951749     12.57714859    -13.97391146
  O     16.17374068     14.06525600    -15.72768602
  H     15.41984194     10.75371980    -13.70153006
  H     20.38762915     11.07506061     -9.73551010
  O     20.36245206      8.77817499    -15.09173402
  H     15.72501368     14.58033437    -16.39378910
  H     20.11555064     12.58774423     -9.72620732
  O     20.68586874     14.05417186    -10.82106060
  H     16.79146570     13.47723513    -16.20084186
  H     21.40933669     16.35963993    -14.77006280
  O     15.67896776     13.33452150    -11.04825685
  H     20.74710330      9.65038021    -14.89215932
  H     19.94522257     16.36240421    -14.28058074
  O     21.68252294      9.89078431    -10.57228986
  H     20.98612060      8.32418237    -15.65267272
  H     22.25224833     11.36511979    -11.52175948
  O     17.09352054     11.08056080     -9.79190412
  H     19.80301540     14.09424597    -11.21693725
  H     21.74581651     12.82441523    -11.62345940
  O     17.88528822     10.12448509    -15.46823428
  H     21.11802055     14.89567228    -11.00982910
  H     17.31666822      9.82383451    -11.00706716
  O     20.37007730     13.53704251    -15.78380975
  H     15.36041773     13.07741602    -11.92753464
  H     16.78925941      9.33930246    -12.40058348
  O     22.00325028     16.36602899    -11.73248525
  H     14.93903719     13.72490266    -10.58892841
  H     17.93379195     11.59191518    -16.58021622
  O     21.15573913     11.28655670    -14.37120420
  H     21.13964684      9.33924967    -11.16354270
  H     18.88543168     12.80278935    -16.71412944
  O     14.88909676     12.66966101    -13.66372984
  H     22.14918962      9.29318466     -9.99401833
  H     23.01764391     14.86706875    -14.83898273
  O     19.76576878     11.74189834     -9.42191003
  H     16.62498783     11.85574647    -10.11451203
  H     23.35891932     15.40513761    -16.25009285
  O     20.80785165     16.77405096    -14.13905435
  H     17.99904757     11.36019473     -9.58419204
  H     17.68436945     14.95532401    -14.91326286
  O     22.32553383     12.17302948    -12.04629509
  H     18.03693256     10.68858879    -14.69387541
  H     18.40768926     14.82611861    -13.55771942
  O     17.54214994      9.30599582    -11.79579528
  H     18.62466853      9.50499166    -15.47723723
  H     23.15190852     15.11001472    -12.64000710
  O     17.99515088     12.49353649    -16.92517320
  H     19.74492517     14.08363299    -15.28696474
  H     23.28557680     13.58812445    -12.84088744
  O     22.63154521     15.16746058    -15.68196077
  H     21.16970354     14.06754801    -15.89238916
  H     20.18829225      8.40242631    -13.18900529
  O     18.50250540     15.17683928    -14.45660817
  H     22.25649141     17.19315629    -11.33181458
  H     19.18136258      8.59404627    -12.03026049
  O     23.52286701     14.44040132    -13.22847982
  H     21.53598573     16.58363359    -12.55880920
  H     18.35578096     10.75557383    -12.59233815
  O     20.11707105      8.43920689    -12.22974585
  H     20.92399705     12.05836746    -14.90672682
  H     19.54906551     11.35492591    -13.41995943
  O     18.63655307     11.50185639    -13.14066244
  H     21.66500138     11.59234760    -13.60794096
  H     17.36972007     13.89138791    -11.57823239
  O     18.21334577     13.93698921    -12.04117027
  H     15.36703710     13.15318370    -14.35530511
  H     18.36346902     13.05485985    -12.42179092
          69
 Energy    -247.94421054539333     
  O     11.77665672     10.99948881    -15.22153471
  H     11.82387559     10.77420435    -14.27487471
  H     15.22383473      4.14046077    -15.17831714
  O     16.14499127      6.72725312    -13.06639258
  H     10.88895920     11.30608578    -15.38489734
  H     19.57968361      5.69880580    -13.50136976
  O     17.65929144     12.72951550    -12.22172331
  H     15.74854567      6.12508583    -13.70817357
  H     18.81684720      6.65915224    -14.44529216
  O     17.71652360      9.92212539    -16.02942539
  H     17.09917251      6.58025997    -13.10550915
  H     16.05335280     11.78485831    -18.58687571
  O     12.66316425      6.43073626    -14.44189153
  H     17.97299179     13.62407859    -12.11241659
  H     15.35792847     11.49007295    -17.23893105
  O     16.64900061     11.77386290     -9.80425626
  H     17.37545353     12.42303324    -11.34536818
  H     15.80579096      8.33066066    -13.94143824
  O     14.70733016      8.03247966    -11.09180594
  H     17.30728315     10.40497476    -16.75570543
  H     15.54963365      9.88231430    -14.04979243
  O     15.42115803     11.59363986    -13.44892611
  H     16.97531197      9.55272106    -15.52416927
  H     12.63071415     10.58498793    -12.02049902
  O     18.51506540      7.23772813    -16.05256131
  H     13.40621659      5.86218978    -14.66916522
  H     11.91218312      9.29334863    -12.43758034
  O     17.08452549      9.15342406     -9.92462235
  H     12.73808327      7.19705807    -15.02966654
  H     19.07490671      9.39417138    -12.50180779
  O     16.22141420      6.16886570    -17.42851552
  H     16.86697641     10.82133573     -9.80720177
  H     19.03057669      7.86045132    -12.38223659
  O     15.10221416      5.08557413    -15.12260717
  H     16.73365055     12.07107900     -8.90271282
  H     11.38536507      6.94870549    -11.61105684
  O     18.87556705      6.34044324    -13.52653053
  H     13.79328326      7.78265914    -11.27675579
  H     12.28288452      7.04284664    -12.86762250
  O     15.96797637     11.12438242    -17.90481703
  H     15.24577928      7.53522790    -11.72448792
  H     18.70758906     10.56690860    -14.54439256
  O     15.56193977      9.04757085    -14.53853629
  H     14.91402702     11.37475864    -12.65551697
  H     18.69263467     11.46944076    -13.28151790
  O     11.96085587     10.23929618    -12.62325520
  H     16.22034501     12.04103604    -13.14646331
  H     14.22196486      8.51457028    -17.45444692
  O     18.92646805      8.67125875    -11.87491263
  H     18.40104821      8.19548553    -16.12131959
  H     15.34034016      9.33445113    -18.12286008
  O     12.09530487      7.45027087    -12.00297911
  H     17.78184879      6.85096800    -16.54395643
  H     14.93061133     11.21723070    -10.52871502
  O     19.15415488     10.73742401    -13.70509755
  H     17.77157939      8.94603997    -10.57925898
  H     14.44523377      9.84611387    -11.06057035
  O     14.95785169      8.45039153    -18.07995821
  H     16.30481951      8.64241311    -10.16576038
  H     13.40238402     11.81664911    -15.81999016
  O     14.25339270     10.79682238    -11.07017399
  H     16.41202377      5.71449612    -18.24537871
  H     14.73801052     12.02342673    -15.10064863
  O     14.31634621     12.08466419    -15.96901180
  H     15.77982024      7.00187902    -17.67567913
  H     12.64659395      9.45938130    -15.78834733
  O     13.20970626      8.69144769    -15.93932201
  H     15.47318007      5.46197640    -15.93656229
  H     14.03318501      8.84461550    -15.44736137
          69
 Energy    -247.94389082686035     
  O     12.69856558      4.93149686    -15.26640101
  H     12.16464928      4.84201877    -16.05221707
  H     16.09288483      4.87431342    -14.87802847
  O     17.47243261      5.99288446    -12.36798073
  H     13.12919204      5.80016441    -15.32122372
  H     14.91453005     11.33780470    -13.57646793
  O     14.12724406     10.58444040     -9.41363503
  H     17.22051089      5.86856335    -13.29339779
  H     16.40333640     11.14833292    -13.93731317
  O     19.78207754      9.03427830    -14.68774893
  H     18.35119703      6.40224618    -12.32919471
  H     16.44493499      8.72038753    -11.15161462
  O     15.07145289      3.41964423    -14.59556531
  H     13.76513593      9.70071070     -9.21711260
  H     16.73978445      7.62213734    -12.21219753
  O     13.35142292      8.06117006     -8.84857330
  H     13.93548876     11.13339193     -8.65673489
  H     12.20949865      4.48770069    -13.47817309
  O     15.51559204      5.15370225    -10.66343547
  H     20.52541216      9.21953252    -15.25479418
  H     12.27740628      5.05409643    -12.04095270
  O     13.71104335      8.58192630    -12.81821065
  H     19.09881329      8.61889421    -15.24420905
  H     15.86870252      9.75475450     -9.33960863
  O     19.72582000      7.49187750    -12.26856459
  H     14.94908603      3.15621214    -13.67613350
  H     16.42888079      8.34775606     -8.98410239
  O     15.81454715      6.67715506     -8.39483535
  H     14.22595434      3.79235886    -14.87624909
  H     14.18436324      1.98067667    -11.53755412
  O     15.36999066      9.51556591    -16.40836624
  H     14.11402967      7.58342483     -8.50018789
  H     13.51648177      3.27663917    -12.05925223
  O     16.41405405      5.78696745    -14.91783044
  H     13.04711567      7.52868381     -9.59601081
  H     17.37978298      9.75570562    -12.83345085
  O     15.51939649     11.25179410    -14.31966156
  H     15.19361462      4.29736988    -10.97148426
  H     18.60999523     10.10741947    -13.70439514
  O     16.30310363      8.47310191    -12.07489942
  H     16.25357647      5.40443739    -11.24067920
  H     18.84907368     10.22225737    -11.41247585
  O     12.14481502      4.24036081    -12.54750104
  H     13.45794537      9.49849613    -12.66944283
  H     18.41248856      9.61334248    -10.07130102
  O     16.64673024      9.18885400     -9.40785625
  H     14.65565043      8.53224917    -12.59110940
  H     14.43385938      8.04189761    -15.78123674
  O     14.37145616      2.86884282    -11.82989983
  H     19.64001871      8.19445589    -11.60862858
  H     13.83632832      7.75681720    -14.38979430
  O     17.92287054     10.49547397    -13.14679655
  H     19.86922829      7.94280649    -13.10905240
  H     13.91450828      6.06596308    -11.01418736
  O     19.17740675      9.73405140    -10.64696398
  H     16.21034523      6.16687758     -7.69268601
  H     13.19821527      7.22537826    -11.76167058
  O     14.05212574      7.34115476    -15.23760626
  H     15.73486269      6.08262343     -9.16007385
  H     12.93542532     11.97526520    -12.05945857
  O     13.05511757      6.48994062    -11.14876708
  H     15.40004086     10.14840491    -15.66882500
  H     13.82547599     11.09168476    -11.16188831
  O     13.60212073     11.29225296    -12.08419977
  H     15.24140703     10.02952747    -17.20142483
  H     16.99445588      8.50221049    -16.26045894
  O     17.76191707      7.94039891    -16.10192908
  H     15.62505130      6.34043539    -14.98474598
  H     17.41721354      7.09803305    -15.77667276
          69
 Energy    -247.94379997779652     
  O     13.11047532     13.33955476    -14.34389493
  H     13.76447792     13.76022309    -14.91445559
  H     18.27765616     11.08125483    -15.40274447
  O     17.70951790      7.12885780    -14.07940715
  H     12.89867422     12.49702774    -14.76632014
  H     15.80678246      8.84847546    -18.09846241
  O     19.48230198     11.39027899    -11.89165156
  H     17.50147995      7.28462942    -15.00434493
  H     15.54043627      9.08087632    -19.60323903
  O     17.35743973     14.03198897    -14.36690784
  H     16.86765579      6.99054843    -13.62102945
  H     16.31830094     11.38385983    -12.68194354
  O     16.00856133     10.08698197     -9.53785320
  H     19.27237184     10.44637221    -11.94967657
  H     17.04191666      9.98747343    -12.61777822
  O     15.34436844      6.95102668    -12.50456318
  H     19.52749211     11.71360552    -12.79803268
  H     13.90778095     11.15265013    -16.05846400
  O     13.43637570     13.41388299    -11.66849802
  H     16.94623410     13.79762945    -13.52235749
  H     12.76461004     10.14057722    -16.21431979
  O     12.81347508      8.66717722    -17.31435877
  H     16.63459230     14.18244377    -14.98539560
  H     17.98860011      8.39296224    -11.33021024
  O     16.77158618      7.59635006    -10.13877581
  H     15.16317762     10.33356029     -9.94171980
  H     18.33558327      8.25565656    -12.83409853
  O     16.62585083      8.14354602    -16.65436956
  H     16.59783361     10.84425012     -9.61465067
  H     15.26925156     13.26095657    -11.79691809
  O     14.30324705      7.32021593    -15.27037680
  H     14.75678889      7.70748564    -12.60382096
  H     16.69559666     12.95641413    -11.21359942
  O     17.47820534     10.56376250    -15.55262707
  H     15.77826310      7.07014579    -11.64851681
  H     18.73610514     13.00744625    -14.56217711
  O     15.26059801      9.34612157    -18.73079515
  H     12.86125969     14.07230279    -11.28852410
  H     20.21049006     12.79333330    -14.98625374
  O     16.36367899     10.50258967    -13.07408744
  H     13.26501374     13.40852565    -12.62781499
  H     18.48643711     11.99537129    -10.60583313
  O     13.09161792     10.84716603    -15.63998822
  H     13.52154591      8.86581046    -17.93901279
  H     18.32887819     12.70239353     -9.23749405
  O     18.40297550      8.85072181    -12.07183708
  H     13.18505506      8.01133993    -16.71037954
  H     15.32212189     10.97731699    -17.76699346
  O     16.19138663     13.09172673    -12.02680199
  H     16.93558741      7.08950478     -9.34865013
  H     16.19511990     11.32615524    -16.53723269
  O     19.44620728     12.34303161    -14.63667015
  H     16.46446771      8.47718765     -9.85295384
  H     13.47296671     11.61446903    -11.07912872
  O     17.83577459     12.29563674     -9.94462851
  H     16.98349690      8.94789547    -16.24794091
  H     13.54049559     10.19946132    -11.67779954
  O     15.43070309     11.61991211    -17.05577607
  H     15.83338571      7.88121845    -16.16349967
  H     15.24121251     13.33211150    -16.59477421
  O     13.63832832     10.69048823    -10.85466778
  H     14.50001693      6.59870817    -14.66978636
  H     15.00655495     14.83177353    -16.88677510
  O     15.13871691     14.20491444    -16.17942500
  H     14.12520379      8.07386873    -14.68714015
  H     14.81039235      9.78307669    -13.28023644
  O     13.93103796      9.39718700    -13.43245525
  H     17.03777941     10.51959143    -14.68981867
  H     13.51008002      9.94099186    -14.11325420
          69
 Energy    -247.94371422346086     
  O     13.24200012     13.48892229    -14.79067192
  H     12.97351385     12.65082925    -15.18929785
  H     18.26891638     11.14907220    -15.31566330
  O     17.92956442      6.67657992    -14.09315865
  H     13.98938812     13.79545951    -15.31618903
  H     14.41907676      8.58906687    -18.13366490
  O     19.40404205     11.14200192    -12.00561112
  H     17.16547351      6.25947359    -13.67848380
  H     15.19271024      8.48607157    -19.47109632
  O     17.26687195     14.10501074    -14.24860486
  H     17.61891708      7.02593883    -14.93894793
  H     16.90140179      9.98992167    -12.69895591
  O     15.54205648      5.92072498    -12.59402384
  H     19.18154115     10.20559204    -12.08948827
  H     16.21218965     11.40511347    -12.65611056
  O     15.23541450      9.89199837     -9.50203936
  H     18.86457586     11.45272076    -11.26529034
  H     13.86923929     11.05638254    -16.35786108
  O     13.29442428     13.53750180    -12.08827591
  H     16.73972831     14.07575779    -15.05542959
  H     13.21815924     10.49608535    -15.05986914
  O     13.04916782      8.31337387    -17.09001995
  H     18.04710915     13.55665488    -14.39759818
  H     17.62162952      8.26818302    -11.48904791
  O     16.27598852      7.49491189    -10.35773362
  H     15.72344863      6.47945317    -11.82343601
  H     18.18549526      8.00557857    -12.90577296
  O     16.74333023      8.05940854    -16.26031942
  H     15.29034637      5.06387302    -12.25568350
  H     15.14349762     13.34829988    -11.98724808
  O     14.44101077      7.23145593    -14.85266580
  H     14.54874369     10.24649451    -10.09505657
  H     16.48835435     13.56776019    -12.75800718
  O     17.47617401     10.63475321    -15.50622034
  H     14.95988393     10.11350667     -8.61549133
  H     19.47665546     11.90814953    -13.55914538
  O     15.25679817      8.81370575    -18.57837007
  H     12.77409972     14.27721713    -11.78644009
  H     20.37666051     12.52942299    -14.65065527
  O     16.21805681     10.54476024    -13.09659832
  H     13.23714628     13.53501556    -13.06067358
  H     16.81692050     11.09786418     -9.83251686
  O     13.02237524     10.91140234    -15.91429962
  H     12.81133326      9.18313960    -16.74208531
  H     17.01218536     12.38515954    -10.63557504
  O     18.12142346      8.67195931    -12.20598280
  H     13.34947511      7.79687995    -16.33079921
  H     16.23878500     11.12281998    -16.67774164
  O     16.07829840     13.11495013    -12.00528821
  H     15.86227399      8.32772667    -10.07633801
  H     15.43200720     10.57161617    -17.87733262
  O     19.47651736     12.28019818    -14.46051840
  H     16.65226456      7.10227033     -9.57247862
  H     13.26735205     10.34456956    -11.95429846
  O     17.47826465     11.75747831    -10.06190939
  H     17.10810637      8.91595133    -15.99416768
  H     13.22771418     11.77734630    -11.38917470
  O     15.50531337     11.32472783    -17.27972750
  H     16.35517278      8.19453053    -17.13266101
  H     15.49104249     13.08008197    -16.89570275
  O     13.30521647     10.85101749    -11.13104700
  H     14.72482419      6.70348089    -14.09727374
  H     15.48327703     14.58228453    -17.25224085
  O     15.50043536     13.97402998    -16.51683176
  H     15.24713348      7.51553575    -15.30848321
  H     13.85733051      8.72377607    -13.96081426
  O     13.72181988      9.59856563    -13.57681804
  H     16.96500448     10.63088752    -14.68177447
  H     14.60752555      9.95270435    -13.39349183
          69
 Energy    -247.94348734882533     
  O     19.94778727     10.69893185     -9.93753022
  H     20.90370319     10.84060370     -9.93028171
  H     18.14980559      9.54329334     -7.69809021
  O     18.72800937      6.45723443     -9.52053234
  H     19.65628987     10.57403500     -9.02605073
  H     18.60317422     11.24342695    -12.74831962
  O     19.06284350      4.04259499    -12.54781095
  H     19.16019668      7.08202366    -10.12990956
  H     18.73676180     11.25100312    -11.21836668
  O     20.49856335      6.00543343    -14.11271865
  H     18.06341230      5.98768904    -10.04172189
  H     22.82507014      9.85165786     -9.75055725
  O     22.84295831      8.26884660     -9.09421372
  H     18.26708856      4.43719645    -12.15717831
  H     23.43891218     11.27284161     -9.74962966
  O     16.92988162      5.37012045    -11.35639020
  H     18.79784994      3.20266626    -12.91606238
  H     19.12875261      8.25120665    -12.90120802
  O     22.23288683      7.47604800    -12.56824934
  H     19.88121771      6.74471269    -14.20448509
  H     19.13698183      9.14764602    -14.14963508
  O     20.55124840      7.70729964     -7.62179109
  H     20.01764235      5.31261513    -13.64618936
  H     20.34392546      4.34074799    -11.15292823
  O     14.50699634      7.85168669     -9.37733719
  H     22.08886093      8.06159187     -8.52341859
  H     20.16717436      5.18642131     -9.89220280
  O     23.26392192      5.83208921    -10.53474121
  H     23.08515224      7.44547123     -9.53089864
  H     14.74946846      6.90641176    -13.22295241
  O     19.87091061      8.20718381    -11.23274081
  H     16.82475525      6.14026690    -11.93570588
  H     13.30619822      6.97487722    -13.75548756
  O     18.91486693     10.06276255     -7.39338777
  H     16.04349684      5.16248000    -11.03815769
  H     16.63777082      9.26098115    -10.17623629
  O     18.09015435     11.31328292    -11.93555903
  H     22.71695904      6.91197177    -11.95446157
  H     16.79846371     10.21361638    -11.38622782
  O     22.72636738     10.75309205    -10.11047722
  H     21.73797179      6.89972931    -13.17058769
  H     16.28308997      8.27703058    -12.27206812
  O     18.86182770      8.27873045    -13.83364692
  H     19.93202809      7.15094828     -8.10647879
  H     17.17867311      7.79619498    -13.44192659
  O     20.81396209      4.65694609    -10.37186942
  H     20.06456997      8.51269570     -7.40778284
  H     22.29275497      9.28152619    -12.88674790
  O     13.87494322      6.48617291    -13.16647011
  H     14.35277523      6.99656112     -9.79533410
  H     22.40571105     10.52501762    -11.99132469
  O     16.23967981      9.51152138    -11.01801004
  H     14.73398055      8.46445291    -10.08765085
  H     16.09912773      8.17339435     -8.56220083
  O     16.38316820      7.57948100    -12.93847548
  H     23.95526798      5.18438508    -10.42892872
  H     17.56529823      7.68547926     -8.75113103
  O     22.14955045     10.23886186    -12.87519258
  H     22.41823481      5.35771874    -10.44780132
  H     20.69543410     10.69146751    -13.72395708
  O     17.02615098      8.42913812     -8.45184148
  H     20.74641609      7.98628844    -11.57908170
  H     20.05831399     11.46631922    -14.89963363
  O     19.85457051     10.87335965    -14.18169524
  H     19.91719967      9.08170985    -10.82516990
  H     13.96941737      5.67428257    -11.61006225
  O     14.18635035      5.31097045    -10.73281480
  H     18.62636309     10.55909254     -6.63206459
  H     13.49574313      4.69240457    -10.50969719
          69
 Energy    -247.94336484587745     
  O      0.84592223      2.26575628      2.91296311
  H      1.35254439      1.44684187      2.94245174
  H      2.42675259     -4.08136349      3.07627310
  O      0.36094685      3.19135318      0.24356789
  H      0.76373319      2.52576170      1.98661808
  H     -0.88809072     -2.39990202      4.41740927
  O     -0.64760463     -0.55529839      4.56307909
  H     -0.59916810      3.05020903      0.14731638
  H      0.03610775     -3.41515487      3.72670110
  O      1.49282895     -3.54168832     -2.33928692
  H      0.52101749      4.11265139      0.05468535
  H     -6.17086679      0.28755398      3.43947121
  O     -1.89426595     -1.53517352     -3.92387874
  H      0.22592729     -0.47712619      4.15172991
  H     -5.11778820     -0.65217868      2.83489232
  O      0.89262851     -1.10912396     -3.36132196
  H     -0.95109388      0.34343219      4.73806868
  H     -2.89060981     -0.83018765     -0.78355355
  O     -3.21430462      1.90581363      2.45649486
  H      1.35374792     -2.64680870     -2.69925603
  H     -2.70025935     -1.15492903      0.71049111
  O     -2.98320185     -4.33364294      2.71022480
  H      2.18153771     -3.94288869     -2.86238685
  H     -0.39192708     -3.92039515     -2.60979954
  O     -2.15860200      0.42640456     -1.91489796
  H     -2.35035081     -1.70548707     -4.74379722
  H     -1.66236182     -4.06659894     -1.75413672
  O      0.59694722      0.95916054     -1.49480222
  H     -1.79329706     -2.39421529     -3.47711667
  H     -2.23926638      0.44172593      2.05970316
  O     -4.82953211     -2.20994560      2.01303529
  H      0.91777821     -0.31256933     -2.81439694
  H     -1.46781625     -0.61798653      2.87704485
  O      1.77787718     -3.39961023      2.91881821
  H     -0.01308249     -1.17829851     -3.68744690
  H      1.11606672     -3.61226800     -0.54523781
  O     -0.86357762     -3.29381936      4.05148849
  H     -2.68417665      2.11876117      3.23481843
  H     -0.18321247     -3.74447992      0.30625464
  O     -5.24671524      0.23471400      3.21011475
  H     -3.98210414      1.38929450      2.74811120
  H     -0.30219304     -0.60540907      1.01205600
  O     -3.12901711     -1.46939970     -0.10191201
  H     -3.28367930     -5.10112947      3.19027112
  H      0.62009500     -1.72811028      0.44100942
  O     -1.35538182     -3.89159574     -2.65279279
  H     -2.24211775     -3.96029240      3.21925414
  H     -1.22721959      2.87243179      5.23319393
  O     -1.75757239     -0.39309916      1.98605690
  H     -2.18630426     -0.15817564     -2.68329313
  H     -0.53428503      2.31171277      3.96684674
  O      0.76466943     -3.54859467      0.35261736
  H     -1.22396531      0.64201179     -1.78676133
  H      1.41231671     -0.49399532      2.13539307
  O      0.54847205     -0.77579754      0.57889835
  H      0.65184839      1.81575535     -1.05775423
  H      1.97454954     -1.42836427      3.19570301
  O     -1.31735613      2.22277822      4.54112512
  H      0.65807408      0.30609430     -0.77814719
  H     -2.37697872     -3.07682226     -0.05964938
  O      1.74356008     -0.50437933      3.04704182
  H     -4.27516552     -2.92981003      2.33534926
  H     -2.32815747     -4.23684660      0.95401571
  O     -1.96324817     -3.93744215      0.11281201
  H     -4.46842743     -1.97900637      1.14685999
  H     -2.72838842      2.45144430      0.75995095
  O     -2.26877798      2.65190889     -0.06700807
  H      1.47961024     -3.50814157      1.99996487
  H     -2.47166697      1.94760342     -0.69303074
          69
 Energy    -247.94334530068588     
  O     20.14803317      7.87984627    -11.41570568
  H     19.34713321      8.13737958    -10.94192641
  H     17.84826454     12.34698873    -14.70032853
  O     17.34463938     10.91019126    -11.82950385
  H     19.93029926      7.05580817    -11.86950360
  H     12.73134186      7.82365044    -14.20511433
  O     12.84383904      8.09210041    -12.43668165
  H     17.96831630     10.90232312    -12.57067431
  H     12.20313428      7.23594093    -15.53388810
  O     16.71917298      6.52151375    -12.30832991
  H     17.52499636     10.13859448    -11.27592144
  H     15.87256767     10.20233989    -12.46828357
  O     14.33723745      6.54769421    -10.72138753
  H     13.57359558      8.72319771    -12.51645183
  H     14.52002402     10.57283503    -13.16635105
  O     19.28574802      5.71803721    -13.09673252
  H     13.17591868      7.42722556    -11.81622448
  H     13.33398030      9.59183238    -15.78029239
  O     13.41974301     11.93161898    -13.64983032
  H     17.56285760      6.11919900    -12.55097246
  H     13.46622829     11.04951356    -15.26483849
  O     17.68286791      9.11345609    -15.87076349
  H     16.33833659      6.87261700    -13.12473438
  H     14.88070507      9.24355274     -9.08120902
  O     17.54185788      8.48781494    -10.49610293
  H     15.14104147      6.37003801    -11.22727599
  H     15.17945293      8.42833370     -7.80153557
  O     16.09454662     11.10558075    -17.05237854
  H     14.61517715      7.08880337     -9.97319194
  H     20.87766724      8.91517475    -12.61960675
  O     19.86604297      7.50213529    -15.05893304
  H     19.47499039      6.29622134    -13.85773561
  H     22.12879011      9.60315071    -13.21865599
  O     17.08202850     12.86329925    -14.98244696
  H     19.69466880      4.87670361    -13.28065937
  H     16.16359142     13.22528325    -13.46349778
  O     12.88216937      7.79508625    -15.16542828
  H     14.08168109     12.51473981    -13.25696682
  H     16.33688008     12.44981444    -12.15706480
  O     15.00975437      9.85694312    -12.73731901
  H     12.78109665     11.67171765    -12.96830970
  H     14.99516274     13.44821335    -10.97433716
  O     13.68630123     10.46057517    -16.00042493
  H     17.22110790      9.77449645    -16.40259981
  H     14.35396634     14.21250061     -9.80344944
  O     15.32009552      8.44397497     -8.74478918
  H     16.99265060      8.57705059    -15.45570881
  H     18.50704066     10.24716016    -14.69652919
  O     21.20907061      9.41716514    -13.38601369
  H     16.90125426      8.47154356     -9.77540531
  H     19.78798305     10.50107345    -13.86083376
  O     15.78032321     13.11986902    -12.57998534
  H     17.24344324      7.82558450    -11.13751116
  H     12.43689361     10.75533537    -10.89722928
  O     14.57167395     13.33559324    -10.10867133
  H     15.96886901     11.40567549    -17.94887534
  H     11.90158271      9.75866678    -11.92416655
  O     18.92362121     10.86881134    -14.08221582
  H     15.21447075     10.86317512    -16.71272669
  H     14.47681968     10.37131138    -10.89413046
  O     11.88797825     10.69477644    -11.68815329
  H     20.42965303      8.15461339    -14.62472341
  H     14.35542021     11.56797963     -9.91492448
  O     14.21558524     10.61245691     -9.99749456
  H     19.16190509      8.00205295    -15.49149101
  H     15.47697048      8.58577643    -13.93547606
  O     15.63268706      7.82819266    -14.52026078
  H     16.70617825     12.37421023    -15.72353835
  H     14.77348132      7.62760089    -14.90895466
          69
 Energy    -247.94321298124794     
  O     12.44082550      9.22227476    -16.14566964
  H     11.94932427      9.50029549    -16.91399803
  H     11.14172737      5.26921125     -9.91594817
  O     11.67970736      8.91158824    -10.13711563
  H     11.80035693      8.81152095    -15.53557550
  H     17.08719608      4.39775203    -13.52434854
  O     16.10466668      6.78296252    -11.31420502
  H     11.47681241      7.96728952    -10.09076327
  H     16.60364208      4.78976247    -14.93064930
  O     14.88525681      3.50053549     -9.39904554
  H     12.43608748      9.03981903     -9.55465590
  H     14.43884480      7.70981592    -13.96834401
  O     14.00294692      8.91538696     -8.44931032
  H     16.22047384      5.84474983    -11.52085046
  H     14.46143515      8.78163827    -12.85665514
  O     12.93586040     11.10061848    -13.97516864
  H     15.44379493      7.12544880    -11.93840008
  H     11.06556468      7.40807239    -13.84638776
  O     10.80113149     10.22837517    -12.32180642
  H     14.64333421      4.41974875     -9.20238456
  H     10.66004972      8.87805715    -13.63144316
  O     16.04200531      4.09387219    -11.92484112
  H     15.12975339      3.09820721     -8.56901697
  H     17.56827661      9.88111490    -15.47224608
  O     12.79527497      2.59416002    -11.17195564
  H     14.12643455      9.42447802     -7.65277743
  H     17.31026501      8.70650400    -14.49514127
  O     15.30882028     10.43902703    -12.83108034
  H     14.69594463      9.19680678     -9.07390593
  H     14.91571352      6.40513369     -9.93269014
  O     10.57995846      3.58475190     -9.89730620
  H     12.20279185     10.88260942    -13.38406416
  H     14.15699317      7.06033252     -8.76830152
  O     11.57258342      6.12510123    -10.05464630
  H     12.80349157     10.56734800    -14.76695839
  H     16.20424113      8.56948224    -10.55094338
  O     17.37619792      4.80050825    -14.35324776
  H     11.13510734      9.77254019    -11.52869578
  H     15.75026235      9.93698954    -11.10352627
  O     14.26644573      7.85161957    -13.02882510
  H     10.06486841     10.76292580    -12.03586393
  H     17.82859269      6.50527621    -13.92678876
  O     10.75760250      8.19769892    -14.31051804
  H     15.22156828      4.08442850    -12.44272233
  H     17.48472037      7.31388699    -12.67381765
  O     16.87787440      9.41406717    -15.00957440
  H     15.82002215      3.72787891    -11.06127961
  H     12.78758589      6.88433137    -12.79596658
  O     14.29502398      6.21538270     -9.21559704
  H     13.05616188      2.96782347    -12.02260935
  H     11.78285047      6.16333745    -11.85659204
  O     15.91541464      9.45021915    -10.28392974
  H     13.50984475      2.80070369    -10.55722870
  H     13.97401107      8.26637982    -16.00050206
  O     17.87627456      7.39626168    -13.54841603
  H     14.50468861     10.82837050    -13.20988352
  H     15.50062128      8.34758021    -15.65994718
  O     12.05734793      6.24616016    -12.77936022
  H     15.89745913     10.22864290    -13.56599725
  H     14.85391062      5.95750009    -15.88830744
  O     14.75841488      7.74095550    -15.78663410
  H      9.82063733      3.01810983    -10.00130384
  H     14.79535409      4.66779420    -16.73674127
  O     14.91035560      4.98869600    -15.84526062
  H     11.30798357      3.15216479    -10.37517629
  H     13.05820127      4.81814645    -13.22284099
  O     13.70010216      4.12019508    -13.42204781
  H     12.48329432      6.04896237     -9.74305924
  H     14.04221998      4.30687985    -14.30410632
          69
 Energy    -247.94305342631395     
  O     13.65902193     11.90409219    -14.94805343
  H     13.27434759     11.13517673    -14.50899898
  H     17.80862063      4.71432951    -12.44479359
  O     17.34295645     10.70381059    -12.78582770
  H     13.83688837     12.54195005    -14.24547744
  H     12.79001561      7.32217605    -11.01800142
  O     12.82628348      5.27742344    -13.91243606
  H     17.85559477     10.27338076    -12.08850356
  H     13.66939165      6.50198772    -10.01907851
  O     16.77233174      6.43557810     -9.38274370
  H     16.43237027     10.74779442    -12.46227115
  H     18.35066570      8.14096846    -14.94388116
  O     16.95538078     13.14765459    -14.09207441
  H     13.38359568      4.76972495    -13.30661322
  H     19.74412490      7.48571193    -15.04689555
  O     15.47006571      7.02696723    -12.46109189
  H     13.34160641      5.37373101    -14.72151889
  H     15.46995869     13.50740514    -13.21734908
  O     14.77535577     10.90623459    -11.71683812
  H     16.49487729      7.36066296     -9.36231796
  H     14.46757937     14.40927059    -12.45628750
  O     18.12692747      6.67025927    -11.98669939
  H     17.41301666      6.37289287    -10.09888174
  H     12.42547881      8.90132672    -13.11716153
  O     18.33516323      9.24209423    -10.70495689
  H     16.73848405     12.80232149    -14.96607872
  H     13.63525768      9.10223005    -14.05177323
  O     17.10848864      5.18643167    -15.34324100
  H     17.29085022     12.38841217    -13.59376830
  H     15.79923817     12.06731437    -17.28947716
  O     14.59722326      5.69587137    -16.14345299
  H     15.20795972      7.42013469    -13.30186451
  H     15.09972783     11.75103532    -15.94785476
  O     17.44558726      3.93734310    -12.88426773
  H     14.86221411      7.32889979    -11.77568854
  H     10.70371466      7.11565450    -12.47998514
  O     13.53046890      7.37848875    -10.40129674
  H     14.13151659     10.42085734    -12.25148292
  H     12.03531582      6.56282962    -13.03876936
  O     18.87216666      7.36686796    -14.67654381
  H     14.65059520     11.84282710    -11.91543010
  H     14.40287157      4.44774487     -8.53871468
  O     14.60131160     13.52168207    -12.77673745
  H     17.17786671      6.83009481    -12.13027583
  H     15.36038253      5.39367648     -9.30288739
  O     13.02565886      9.57195055    -13.45998971
  H     18.54657283      6.86621429    -12.83319357
  H     15.03457945      5.26044247    -12.31787102
  O     15.95476849     11.72349621    -16.41378648
  H     17.48953693      9.23951359    -10.23739487
  H     14.60731466      4.34639480    -11.15407680
  O     11.64451909      7.27105435    -12.49580303
  H     18.42350272      8.35880078    -11.08351169
  H     14.74233720      7.38158985    -15.46561372
  O     14.50376988      4.93158678     -9.35380547
  H     17.73787665      5.90704852    -15.23413998
  H     15.68385685      8.59601464    -15.12831575
  O     14.75699143      4.35427227    -12.10705618
  H     17.22889077      4.61952656    -14.56785891
  H     15.39909879      9.83337185    -10.29597460
  O     14.84059205      8.17318089    -14.92120182
  H     15.50293857      5.44984302    -15.87749789
  H     14.82515476      8.53257541     -9.76552953
  O     15.62030713      9.08306663     -9.72719146
  H     14.46336159      5.34684737    -17.02019678
  H     16.90372456     10.24048163    -15.79719941
  O     17.24799291      9.53256499    -15.23820437
  H     16.53161959      3.86614499    -12.57718229
  H     17.32789119      9.91199012    -14.34720730
          69
 Energy    -247.94295184409643     
  O     14.79863648     11.83073806    -16.40428840
  H     15.41202101     12.23838623    -17.03981080
  H     17.45057492     13.29096412    -18.20852844
  O     18.88974229     16.68758773    -16.94640445
  H     14.17082366     11.32668804    -16.91587763
  H     18.83045810     11.72704589    -10.94805105
  O     20.22323083     12.75611437    -15.93745199
  H     18.99505658     17.57394817    -17.28349892
  H     18.51265230     13.11720052    -10.36561241
  O     19.40533105     14.87006173    -10.65123872
  H     19.11650990     16.72377016    -16.00037413
  H     21.21419199     17.69376398    -11.79616442
  O     14.84566376     14.82519092    -12.32631632
  H     20.80203267     13.38655239    -15.48450246
  H     22.14643258     17.51073584    -13.00963874
  O     20.25241492     10.85247209    -11.91143916
  H     19.99701557     13.14333638    -16.79231531
  H     21.06849632     12.47687876    -11.96308733
  O     15.78571363     12.10176093    -11.98671913
  H     18.73098091     15.08783962    -11.31102017
  H     21.36979148     13.73025348    -12.85353170
  O     19.32618242     14.18106457    -18.19999944
  H     20.08192754     14.33884819    -11.09804184
  H     16.23639315     11.35851249    -13.50147934
  O     21.45569767     14.72059592    -14.43257791
  H     14.56602733     14.62805449    -13.23809735
  H     15.92740283     11.22185317    -15.03466520
  O     21.06168101     16.95508697    -10.04770578
  H     14.07735345     15.15869883    -11.87074348
  H     24.49772226     16.47979657    -13.65765289
  O     14.25097318     14.27393566    -14.92173492
  H     20.57356347     10.01996450    -11.57539009
  H     23.55789765     15.92692056    -12.55890811
  O     16.50998689     13.24887314    -18.01518830
  H     19.92591464     10.68353083    -12.81308820
  H     18.73272497     16.36820600    -13.70593128
  O     18.13627188     12.24464565    -10.52216460
  H     15.42343450     12.99329714    -11.99938081
  H     20.03865930     17.23246792    -13.74660519
  O     21.31152389     17.90770585    -12.73305658
  H     16.56171266     12.12956366    -11.40666197
  H     22.67015793     14.49865444    -11.19655278
  O     21.36953468     13.39447957    -11.94781365
  H     19.75984726     14.32841167    -19.03799718
  H     22.59364420     15.88125769    -10.52382370
  O     16.61231284     11.11658036    -14.36449530
  H     19.19268732     15.05522348    -17.80188441
  H     19.70085945     11.14320796    -15.04643203
  O     23.58463628     16.28741011    -13.46417639
  H     22.26524136     15.20872767    -14.23498428
  H     18.38093720     10.58086921    -14.45215574
  O     19.43816418     16.69122738    -14.28202065
  H     20.73210484     15.36029420    -14.38119874
  H     17.37882805     12.74386118    -14.50819260
  O     23.19669423     15.28195075    -10.98095740
  H     20.86527498     17.35856856     -9.20640494
  H     18.70010896     13.30757625    -15.07849669
  O     19.34484228     10.49601223    -14.42524408
  H     20.40794791     16.24617884    -10.17773157
  H     16.92427945     14.74293124    -15.66015753
  O     17.86551508     13.56343044    -14.66941968
  H     14.29452739     13.40672588    -15.33999721
  H     17.11950960     16.01107594    -16.51382223
  O     16.45288533     15.38406978    -16.21855012
  H     14.87236842     14.82827805    -15.41426842
  H     16.63760752     15.35167550    -12.45515977
  O     17.57820975     15.38482735    -12.66637027
  H     16.34126846     14.06249219    -17.51792852
  H     17.72896908     14.65767440    -13.29145595
          69
 Energy    -247.94276298237244     
  O     10.35338123     10.10549879    -10.44635474
  H     11.07436260     10.67222695    -10.11779692
  H     10.89690237     10.71788271    -17.30666267
  O     14.71733514     10.54995682    -12.75203246
  H      9.69131875     10.07315356     -9.76159352
  H     13.40813274     13.36983013    -13.97780125
  O     16.53256767     13.72087886    -14.42146633
  H     15.60644762     10.92834240    -12.71150369
  H     12.94192023     13.96477689    -15.33524767
  O     16.28884441      6.97861815    -12.33065917
  H     14.64945162      9.84346558    -12.09716723
  H     17.43578687     12.39012042    -17.61489101
  O     10.51189954     11.22487623    -13.01721538
  H     16.85593974     13.32107015    -15.23795069
  H     16.22404815     11.90790349    -16.78361229
  O     11.36997400     14.23222000    -16.31286552
  H     15.58458504     13.85374800    -14.55075569
  H     17.77104245     10.60955948    -13.99669418
  O     14.49751763     11.57988115    -16.56002252
  H     17.13682562      6.63308353    -12.06001374
  H     17.74591925     10.76562600    -15.52896407
  O     14.81367500     10.30196741     -8.98513671
  H     16.38589071      7.21102025    -13.26556378
  H     16.24214503     13.10609207     -9.68759457
  O     12.88268160     12.56000162    -12.43286448
  H     10.86793567     10.48880058    -13.53766003
  H     16.00365109     11.59254945     -9.61954697
  O     14.20993178      9.25710783    -15.08259828
  H     10.28873174     10.87186602    -12.14783984
  H     11.00870614      9.34926527    -15.37224991
  O     12.43867905     11.70330033     -9.75662020
  H     10.68637862     13.66135968    -15.91751199
  H     12.42576787      9.10562805    -14.79878999
  O     10.23569507     10.13426927    -16.89327141
  H     10.94192170     15.05123270    -16.54716942
  H     17.00499939      7.25082275    -15.71820567
  O     13.71444046     13.64310858    -14.85412969
  H     14.39042685     10.72850777    -16.11358267
  H     17.10255154      8.59381498    -14.94964473
  O     17.17395471     12.11331715    -16.74074914
  H     14.22923790     12.27118827    -15.93575849
  H     11.81051077     12.77518498    -17.50610661
  O     17.86901119     10.11827354    -14.82419798
  H     14.90900834      9.88362590     -8.13298494
  H     12.94383882     11.74177677    -17.57928021
  O     16.58623405     12.26881987     -9.99344645
  H     14.69727161      9.58727028     -9.63549752
  H     11.68928783      8.32365268    -12.80250865
  O     11.48701614      9.12454735    -14.56398881
  H     12.02304517     12.17848019    -12.66283471
  H     11.30169376      8.72114119    -11.36153071
  O     16.60321568      7.75815250    -15.01828361
  H     13.53662083     11.84934487    -12.52922768
  H     17.00907230     12.52232898    -13.17454472
  O     12.04166408     11.91552370    -17.87913005
  H     14.37990056      9.74543239    -14.25985766
  H     17.12443547     11.96476556    -11.71092106
  O     11.88812076      8.15095190    -11.87456529
  H     14.93221748      8.62555919    -15.16977627
  H      9.61902791     11.67704307    -15.88313863
  O     17.19962443     11.73132291    -12.64550557
  H     13.24991142     11.28495940     -9.44584463
  H      9.78355578     12.14249256    -14.43045696
  O      9.57568654     12.45958517    -15.32054033
  H     12.65715172     12.15529183    -10.58250237
  H     13.53664540      8.25326218    -11.24654653
  O     14.43338652      8.46425924    -10.94289840
  H      9.74550321      9.72892171    -17.60365030
  H     15.05912624      7.86680548    -11.37546129
          69
 Ord_Energy   -247.942749    
 O   0.427296758       1.82125175     -0.558480501    
 H   0.790818632       1.59155214      0.304687530    
 H  -0.479957134       1.49299467     -0.572184920    
 O   -5.18130541       1.25054634      -1.24271679    
 H   -5.66383410      0.727582693      -1.87702239    
 H   -5.43909454      0.931232214     -0.358597726    
 O    1.52394176       1.36504686       2.05497718    
 H   0.798076034       1.04926658       2.62316394    
 H    2.24368691      0.748147368       2.15893698    
 O   -5.31219673       3.88435245     -0.188309923    
 H   -5.33554840       3.07171869     -0.707308352    
 H   -5.50093937       3.62717342      0.726860642    
 O    1.14151442       4.02610111       2.79989076    
 H    1.41027713       3.15280318       2.48504543    
 H    1.37665379       4.68645477       2.13599777    
 O  -0.784188986       7.18826771       2.41805387    
 H   -9.29150879E-02   6.94110346       1.79250598    
 H   -1.61553514       7.36872578       1.94882369    
 O   -3.90494347       5.98607922       4.18545866    
 H   -3.78882813       5.02945900       4.14719391    
 H   -3.11871743       6.33320379       4.62562704    
 O   -5.69867849      0.585735977       1.33834946    
 H   -5.98232460       1.39619219       1.78235483    
 H   -4.81924248      0.397661269       1.69153380    
 O   -3.36624837       3.16183710       3.70569682    
 H   -2.88895106       2.81555820       4.47166634    
 H   -2.71524763       3.60979509       3.13977385    
 O   -1.64042842       2.25926423       5.69168377    
 H   -1.02975166       3.01705170       5.63187265    
 H   -1.69350374       2.01348019       6.61111164    
 O   -5.87647343       3.18289185       2.45010543    
 H   -5.05346680       3.12079096       2.95248914    
 H   -6.27361727       4.03400946       2.68581629    
 O    1.31489682       6.09177303      0.848126292    
 H   0.926468670       5.55983067      0.128517538    
 H    2.06586719       6.54725838      0.477710068    
 O   -2.53061056       4.24532223     -0.402434707    
 H   -3.49421048       4.24529791     -0.363139689    
 H   -2.21189380       4.35489798      0.505547822    
 O   -1.53367853       4.43866920       2.18524361    
 H  -0.641598642       4.11103535       2.35797405    
 H   -1.47733998       5.39600658       2.29006457    
 O   -5.76997709       6.56692123      0.258794963    
 H   -6.27754974       7.00098038     -0.422557354    
 H   -5.66727018       5.64159727      -1.73071008E-02
 O   0.194618493       4.54211473      -1.02523923    
 H  -0.769461513       4.58530474      -1.02653110    
 H   0.403013289       3.59938073     -0.943310797    
 O   -2.42801499       1.46871316     -0.473311484    
 H   -3.27202749       1.25071323     -0.885308564    
 H   -2.37512445       2.43602276     -0.495144933    
 O   -2.98007093E-02   4.38116884       5.33432341    
 H  -0.441509455       5.25276852       5.30920601    
 H   0.488975227       4.29600000       4.52251959    
 O   -6.51010036       5.81413317       2.96650577    
 H   -5.74223661       6.03781939       3.50736976    
 H   -6.35644007       6.21701765       2.10308743    
 O   -1.35071754       6.91113901       5.05654955    
 H   -1.06891370       7.09692860       4.14310789    
 H   -1.14945269       7.68940258       5.57053947    
 O   -3.36667252       7.21249390       1.65667617    
 H   -4.11318493       7.08121490       1.06312847    
 H   -3.63690329       6.83398056       2.50421667    
 O  -0.565578997      0.616878271       3.59092331    
 H   -1.36982989      0.459951818       3.07811809    
 H  -0.847641706       1.09351015       4.37958860    
 O   -2.97142124      0.725810170       2.15884614    
 H   -2.72269797      0.973991096       1.25543284    
 H   -3.13637257       1.54396188       2.64241123    
          69
 Ord_Energy   -247.942657    
 O    1.98029184       3.85387802       2.81412172    
 H    1.39967835       3.07553220       2.72817135    
 H    2.87616587       3.52810764       2.81884956    
 O   -3.69156551       2.93419719      0.686024368    
 H   -4.31586599       3.10577536       1.40548325    
 H   -3.86685658       3.57355762      -2.22643502E-02
 O   -1.01435983       9.50423050      0.793692768    
 H   -1.06763113       9.11526775       1.67764866    
 H  -0.848391771       8.76280403      0.196192294    
 O   -5.22775126       8.10328197       4.46956682    
 H   -4.81268263       8.90317535       4.09978867    
 H   -6.13077736       8.32816410       4.67651367    
 O   -1.50473499       1.33735931      0.381758034    
 H   -2.34246206       1.82161915      0.482330352    
 H   -1.73051536      0.464056581       7.08719194E-02
 O   -2.03189874       4.61421251       2.17094851    
 H   -2.51298904       4.00562525       1.59373605    
 H   -2.66559458       5.30305958       2.40896797    
 O   -3.95963836       6.53287840       2.54497266    
 H   -4.49841309       7.06133032       3.14630747    
 H   -4.00307226       6.90747023       1.65197384    
 O  -0.204584062       3.42730427      -1.06693697    
 H   0.106329948       4.00373650     -0.355817199    
 H  -0.589456141       2.65379119     -0.639447093    
 O   -1.63614070       3.03699255       4.40934992    
 H   -1.75140667       3.59592414       3.62416148    
 H   -2.47509289       3.07794094       4.88099813    
 O   -5.16894627       3.87813067       2.83465266    
 H   -4.89874506       3.68346047       3.74081993    
 H   -4.93720818       4.80405903       2.69911766    
 O   -1.53370547       5.16995621      -2.63856888    
 H   -1.04368722       4.48579311      -2.14615083    
 H   -1.30622542       5.06542587      -3.55808973    
 O   -1.68978250       8.26239204       3.24271297    
 H   -1.30703855       7.92121220       4.06099510    
 H   -2.37671232       7.63716936       2.98443842    
 O   -3.97422791       4.92194986      -1.17918634    
 H   -4.08898211       5.81568432     -0.835633814    
 H   -3.21371865       4.96948051      -1.77252305    
 O   -4.16438437       3.62170601       5.51751518    
 H   -4.62297153       3.28464222       6.28268290    
 H   -3.96313643       4.55665445       5.70189285    
 O   -3.56964087       6.24346590       5.93890715    
 H   -2.65793777       6.55567312       5.88863611    
 H   -4.12135601       6.93302441       5.55238676    
 O   0.417671114       4.83194494       5.01726723    
 H    1.05564606       4.60858917       4.33063412    
 H  -0.268251985       4.15173101       4.96588421    
 O   0.349155277       5.26338482       1.01214814    
 H    1.05129671       4.91864634       1.57504451    
 H  -0.482645273       5.05694723       1.46847320    
 O   0.183052734       1.81557047       2.65662122    
 H  -0.343942642       1.59678996       1.87924767    
 H  -0.449804991       2.03254867       3.35508609    
 O  -0.991826713       7.07176971     -0.615360796    
 H  -0.439129412       6.52927017      -3.40179913E-02
 H   -1.13183141       6.55049181      -1.41530967    
 O   -3.57244349       10.3216906      0.415760696    
 H   -3.64926243       11.0806246     -0.156016469    
 H   -2.61945319       10.1369467      0.512181163    
 O  -0.854603469       7.11658335       5.64509106    
 H  -0.356007040       6.31066513       5.41914225    
 H  -0.388911307       7.53314114       6.36561680    
 O   -3.83838630       10.0726271       3.25835514    
 H   -3.89870977       10.2746735       2.31712937    
 H   -2.98669076       9.62614632       3.36619401    
 O   -3.70350146       7.51783895       1.61855798E-02
 H   -3.81823063       8.47511005       4.95780893E-02
 H   -2.76499224       7.36069536     -0.169383526    
          69
 Energy    -247.94250381367289     
  O     15.08934983      5.01825597    -15.39726268
  H     15.11361635      5.94677924    -15.65472936
  H     17.78910921     12.11492207    -15.69052225
  O     17.58615263     11.37728025    -10.59101487
  H     15.96994092      4.83769525    -15.04807399
  H     16.09832891      7.32756184    -12.66293020
  O     18.06813776      9.44225508    -13.93201324
  H     16.96147956     10.82663603    -10.10592237
  H     15.15900098      8.56178728    -12.46192584
  O     10.83617037     10.90042612    -13.46184596
  H     17.07324523     11.88237064    -11.23933676
  H     13.81303526      5.17216688    -11.18026458
  O     16.88793992      5.88007429    -11.92572641
  H     17.26630528      9.02936970    -13.57880912
  H     14.37466149      4.42345191     -9.96111283
  O     11.77455960      8.30330314    -12.72813732
  H     18.67220992      9.55425576    -13.18706634
  H     18.39392488      4.34449862    -14.27098349
  O     16.13175644     12.63884379    -12.57653247
  H     11.06385966     10.69973966    -14.38826379
  H     17.48326878      5.29505164    -13.46092905
  O     14.55909939     10.67786088    -15.60307280
  H     10.01188325     11.37880720    -13.47648654
  H     12.03348494      6.49944738    -12.16440834
  O     12.46504779      4.73560082    -14.80527489
  H     16.12429168      5.48888522    -11.47544442
  H     12.34654902      5.22639517    -12.97523354
  O     15.16813836      7.90201962    -15.70497082
  H     17.35840657      6.44893884    -11.29732723
  H     20.38581205     10.11778419    -11.31199083
  O     12.41285514      7.50118065    -15.35947836
  H     12.02574966      8.03263486    -13.62314179
  H     18.87443680     10.44676372    -11.21142033
  O     17.12404353     11.72077154    -15.13183760
  H     11.30957660      9.14209377    -12.83187452
  H     18.11786683      8.12681586    -15.32755192
  O     15.75955867      8.13100301    -13.08027917
  H     16.51555374     12.46549162    -13.44385553
  H     17.91854202      6.60600334    -15.47801119
  O     14.63566654      4.94270727    -10.71690033
  H     15.19310009     12.43191931    -12.66568796
  H     18.60945811      8.37445057    -10.70073072
  O     17.73218095      5.02512805    -14.36236791
  H     15.40600023     11.14121283    -15.56334767
  H     17.28430448      8.27536755     -9.92052346
  O     12.35960067      5.59543166    -12.08324452
  H     14.77517534      9.74608657    -15.73528846
  H     11.81916579      9.22923463    -15.87696726
  O     19.52293428      9.81913947    -11.58435745
  H     13.42154387      4.72059950    -14.99006520
  H     12.66073466     10.51063878    -15.99486727
  O     17.84459103      7.44323171    -15.95382874
  H     12.09074352      3.96404327    -15.22181581
  H     15.44049788      9.42166553     -8.53375953
  O     17.99988604      7.74656362    -10.29542096
  H     15.27311255      7.95175686    -14.73877124
  H     15.12195615      9.39894132    -10.04363557
  O     11.75217006     10.19304308    -15.91605660
  H     16.06712012      7.78861143    -16.04782343
  H     12.61531263     11.49572756    -13.14041789
  O     15.84605995      9.43024208     -9.39746162
  H     13.34433871      7.63140551    -15.58413058
  H     13.89923165     11.23395223    -13.96418285
  O     13.57784938     11.54924006    -13.10689426
  H     12.28522447      6.54857007    -15.26805881
  H     13.19479683      8.89746328    -11.69985361
  O     13.95818442      9.40784143    -11.39904517
  H     17.52233642     10.92700783    -14.73533418
  H     13.91756164     10.24169246    -11.88942428
          69
 Energy    -247.94240558210768     
  O     12.68273838      2.44206849    -11.67847724
  H     12.72728336      3.09596264    -12.38772797
  H     10.62069844      4.18545933    -13.36360073
  O     11.21211803      2.58306744     -8.47327589
  H     11.84873006      1.97843569    -11.81561248
  H      8.97614992      7.09945145    -11.22736187
  O      9.29513695      6.06243781    -15.08714620
  H     10.82458365      3.06458865     -7.72620643
  H      8.98122035      8.30162663    -12.20435739
  O     14.64887267      5.59501067     -9.19279891
  H     12.17425727      2.61439737     -8.44016180
  H     11.87303730      5.33632602    -10.33302553
  O     10.64505784      6.64556448     -7.56025423
  H      9.26686081      5.26320682    -14.54506011
  H     11.21985637      4.18268388     -9.47747104
  O     10.06101671      1.34594570    -12.27426569
  H     10.19679594      6.11303269    -15.42920986
  H      9.81381902      1.84771227     -9.32243500
  O     12.38888711      4.56663993    -13.53168673
  H     14.41566451      4.66547879     -9.07383409
  H      8.37425689      2.33256092     -9.53967976
  O     11.99397755      8.55147234    -11.53175098
  H     14.24740178      6.09138201     -8.46902070
  H     13.56684051      7.37225145     -6.33546424
  O      8.78483747      8.50087350    -14.02397375
  H     10.16918946      7.43291506     -7.85004865
  H     12.37051853      6.99284105     -7.23703173
  O      7.56401846      4.00010957     -8.94463337
  H     10.81523170      6.11435946     -8.35578380
  H     13.50549159      2.67336136    -10.13174324
  O     11.65441840      8.69944722    -14.30378758
  H      9.62296927      1.41464671    -11.40672060
  H     14.61375401      2.18595238     -9.17377486
  O      9.68702387      3.93110324    -13.30220144
  H      9.90280885      0.46166379    -12.59323193
  H      8.93110247      4.83434099    -11.90232054
  O      9.19718510      8.03888241    -11.30015157
  H     12.39563870      5.10989707    -14.32813138
  H      9.60965825      5.24074380    -10.58339997
  O     11.12528625      5.09720935     -9.77103968
  H     12.71962664      5.12672393    -12.81092488
  H     12.85342009      6.97437609    -11.45974285
  O      9.00492409      1.66330608     -9.82459269
  H     11.05374716      8.34208847    -11.45666370
  H     13.82122144      5.98288181    -10.70815780
  O     13.31158670      7.23387119     -7.24470709
  H     12.25667890      8.95750802    -10.69336666
  H      8.85149951      4.06473002     -7.44414244
  O     13.89896843      2.81338689     -9.25080311
  H      8.12937455      8.94931511    -14.55143643
  H      9.89997578      5.03806614     -6.88114133
  O      8.77313818      5.30582555    -11.07360819
  H      8.89270022      7.61110908    -14.40739889
  H     11.46036286      9.36978683     -8.75202558
  O     13.15933931      6.05877056    -11.41084755
  H      6.62353143      4.15257229     -8.89028076
  H     12.82878013      8.75749147     -8.38973329
  O      9.60606825      4.11866343     -6.84405666
  H      7.88146456      4.49939491     -9.71460064
  H     12.57283057      6.55422614    -16.46754375
  O     12.40267107      9.41129014     -8.95642893
  H     10.69512707      8.79712135    -14.27712731
  H     12.01911195      7.24108847    -15.19664806
  O     12.08380040      6.38976011    -15.66595039
  H     11.94311730      8.75052855    -13.38249348
  H      8.87607895      9.61239620     -8.48545478
  O      9.53239625      8.96096971     -8.72005010
  H      9.69002501      3.00011265    -13.04883619
  H      9.34700360      8.69624634     -9.63635783
          69
 Energy    -247.94237278205671     
  O     14.92049665      5.53403018    -12.58769183
  H     15.24964146      5.21802779    -13.44141314
  H     21.86707994      8.62206839    -16.05273427
  O     17.36574381     13.56866160    -12.51939642
  H     14.63619766      6.44419843    -12.73182087
  H     18.03255871      7.61648849    -14.00628025
  O     19.74476935      7.82774456    -13.32035248
  H     17.62571428     14.36547241    -12.97443197
  H     16.90540742      6.64035185    -14.48872313
  O     15.00866905      6.20377230    -17.32829710
  H     17.46825487     12.83907214    -13.15375829
  H     12.69269885     11.33007100    -16.27802807
  O     15.93605367     10.86303918     -9.42629899
  H     20.26076198      8.14044729    -14.07354121
  H     13.78514631     10.86360934    -15.30308588
  O     14.82893744      8.36143884    -13.15665623
  H     19.50237443      8.59076088    -12.77634209
  H     15.73349436      8.47134920    -11.54480705
  O     17.55186018     11.28400163    -14.05792204
  H     14.47387671      5.87500334    -18.04527241
  H     16.61875928      7.55790406    -10.66220061
  O     19.06337667      5.23693091    -12.68131887
  H     14.44218078      6.80113987    -16.80442618
  H     13.85395262      7.91264874    -14.84242586
  O     18.83013115      4.20390771    -15.16758285
  H     15.58171817     10.72011249     -8.55168725
  H     13.41893092      8.79576248    -16.01639009
  O     16.16747643      5.02822487    -15.04106949
  H     16.05095602      9.98611750     -9.82561184
  H     18.12220959     12.71854759    -10.97146903
  O     16.93000247      5.70899061    -10.77785369
  H     14.68184931      9.30180764    -13.33172165
  H     17.59606159     11.77088462     -9.87530690
  O     20.97360963      8.55052980    -15.72855941
  H     15.66415985      8.12625793    -13.59725338
  H     18.69592379     10.60072985    -11.30761924
  O     17.13172525      7.57056454    -14.34844209
  H     17.91612921     10.73257883    -13.35237287
  H     17.84067869      9.32256727    -11.50881149
  O     13.28127840     10.60337877    -16.09080268
  H     17.95078951     10.99157123    -14.88985329
  H     15.15469942     12.01307947    -10.75557671
  O     16.34878196      8.47478930    -10.79863499
  H     18.38597085      5.34866707    -12.00586993
  H     15.66762108     13.03763526    -11.78550758
  O     13.59662329      7.87645492    -15.76836822
  H     19.44469887      6.11620412    -12.82364064
  H     19.39323228      5.66877526    -16.28564335
  O     18.40370933     12.07322785    -10.31000127
  H     19.26814323      3.35953568    -15.23368448
  H     18.80753641      6.89141443    -17.03577810
  O     18.57146212      9.83203107    -11.88221076
  H     18.95261205      4.51396373    -14.25127102
  H     14.65312991     11.57826456    -13.01029208
  O     14.88299448     12.54301030    -11.51466407
  H     17.02219543      4.60801350    -15.20299044
  H     15.73333435     11.09993912    -14.01280807
  O     19.63461165      6.45515186    -16.78776373
  H     15.79399391      5.30351770    -15.88877948
  H     18.17040070      9.59791208    -16.78537867
  O     14.79102197     11.03791957    -13.80119815
  H     16.18913691      5.56392273    -11.39416964
  H     19.54914747      9.78927552    -16.13668578
  O     18.71211760     10.23805974    -16.30659209
  H     16.81515929      5.09117083    -10.05986135
  H     17.19674351      7.94029898    -16.12966639
  O     17.25584769      7.93716964    -17.09812470
  H     20.57956508      7.76621055    -16.15329303
  H     16.49524042      7.42652431    -17.39572589
          69
 Energy    -247.94216038807448     
  O     18.20668058      9.23687202    -13.37139185
  H     18.39367162      9.74538591    -14.17157658
  H     11.76733094     10.20682737    -13.70177979
  O     11.99419791      9.11126730    -10.30178784
  H     18.84894766      9.48701811    -12.69621247
  H     19.11945600      8.29722437     -8.28195557
  O     18.51154227     10.81866666    -15.63901574
  H     11.69452613      9.06820164     -9.39775509
  H     17.96590359      8.99516934     -9.03972060
  O     11.60724588      7.41144657    -12.57042670
  H     12.94788941      8.91633411    -10.29305272
  H     14.86588374      7.62900821    -10.62133601
  O     17.39509276      6.58087003    -13.15776737
  H     17.57253759     10.91838912    -15.88388169
  H     14.94664345      9.02215369    -11.28897416
  O     18.48938352     12.39294544    -11.18131369
  H     19.00325745     10.75378087    -16.45264977
  H     20.87319274      9.80125429    -11.22540360
  O     16.51150844      9.88519179     -8.90911822
  H     11.63838030      7.92160328    -11.75227961
  H     19.57301194      9.38195995    -10.50168273
  O     13.23767906      5.26566458    -12.83939879
  H     11.55792154      8.06231393    -13.28104584
  H     15.10689048     12.47776392    -11.15599762
  O     15.88869281     11.18139462    -16.10964089
  H     17.69686822      7.48616101    -13.31452991
  H     15.01174591     11.39886260    -12.26113850
  O     15.03265783      6.49838631    -14.73087265
  H     17.88357562      6.27065124    -12.38236319
  H     18.37936877      6.82184840    -10.07610984
  O     14.32326115      9.10866480    -15.09895887
  H     19.03426881     11.60005337    -11.17104365
  H     17.24056097      5.85159571    -10.44153527
  O     11.63684323      9.57179233    -14.42947056
  H     18.40569924     12.66024158    -12.10924626
  H     15.10534008      9.55609560    -13.55081639
  O     18.79009739      8.48784998     -9.15674958
  H     16.39944819     10.82001839     -9.11644643
  H     16.51500602      9.67931480    -12.90235203
  O     14.64548200      8.56155066    -10.49105958
  H     15.80345584      9.41505111     -9.37043048
  H     18.38139151     12.34228961    -14.47344310
  O     19.92376288      9.89544037    -11.24721525
  H     12.62171752      6.01394256    -12.74397950
  H     17.22115750     13.25709124    -14.05207659
  O     14.65297545     12.25603199    -11.97753626
  H     12.70606018      4.48819471    -12.98634897
  H     15.03828021     13.07285427    -13.51570778
  O     18.18920811      6.00041685    -10.54417398
  H     15.60241475     11.94306375    -15.59106184
  H     14.84242074     14.20588869    -14.54731133
  O     15.57233947      9.81510602    -12.74432285
  H     15.31208192     10.44435464    -15.86426268
  H     16.00706381      6.29121899    -11.93813311
  O     18.13335412     13.02582680    -13.83998589
  H     14.42494990      6.00560360    -14.16697617
  H     14.63672358      5.64022350    -11.67176817
  O     15.33071981     13.40348000    -14.38099951
  H     15.90333987      6.42718956    -14.31769524
  H     16.36498127     13.35091949     -9.10716188
  O     15.39922471      6.03327626    -11.22859753
  H     14.53844477      8.16343345    -15.06775876
  H     17.09595751     12.57090492    -10.22812987
  O     16.26991021     12.61805856     -9.70929702
  H     13.37377535      9.21294299    -14.96501936
  H     12.89319957     11.63644537    -12.13673988
  O     12.06761450     11.15579225    -12.27674490
  H     10.91324819      9.89935497    -14.95674625
  H     11.97345605     10.55318374    -11.52775552
          69
 Energy    -247.94204459903503     
  O     12.67671192     11.61845353    -15.42867048
  H     13.54236708     11.89459625    -15.74786276
  H     13.28195033      5.79739440    -13.91608044
  O     14.15455933      6.74191839    -12.58703061
  H     12.53289851     10.73143412    -15.78883748
  H     18.96973977      6.61379125    -13.39955577
  O     17.51278728      9.59674086    -12.15057849
  H     15.05914115      6.65732983    -12.25807480
  H     18.05825509      5.57751012    -14.08203205
  O     17.30348920      8.23188775    -15.55696428
  H     13.70660603      7.33696209    -11.97121186
  H     15.81828807     10.55704521    -17.20653673
  O     10.70249983      7.45181844    -14.77597328
  H     18.42201358      9.38214549    -12.37745131
  H     16.61960535      9.25359960    -17.00078328
  O     16.39950481     10.41305601     -9.78307827
  H     17.42359167      9.93612424    -11.24792878
  H     13.95111446      8.70840237    -15.16316703
  O     13.23140069      8.59996934    -10.72063128
  H     16.41639367      8.35215680    -15.18661869
  H     14.48063536      7.93154333    -13.92174924
  O     15.75141532     10.94427875    -13.70730603
  H     17.38549462      7.28955830    -15.75843097
  H     12.08607464     11.75413770    -13.80514683
  O     14.81573048      5.65522806    -16.65327896
  H      9.77384915      7.24131569    -14.82283485
  H     11.11129250     12.47013515    -12.84113520
  O     15.45781196      7.74585864     -9.16408991
  H     10.82953312      7.97611498    -13.96466434
  H     11.70265756      8.75501668    -11.84222758
  O     17.36590029      5.45309071    -15.86818521
  H     15.61712892     10.81333471    -10.18353211
  H     11.25058629      9.94030061    -12.70869870
  O     12.83617540      5.53111887    -14.73224187
  H     16.09742008      9.58016740     -9.40009000
  H     18.73062455      8.47900861    -14.46339137
  O     18.45823622      5.81188684    -13.23482706
  H     13.84307720      8.27790183    -10.04811326
  H     20.25276177      8.71295177    -14.34842093
  O     16.03342543      9.71129583    -17.61764969
  H     13.54825888      9.48082542    -10.97019342
  H     16.89241157      7.89465323    -11.77372304
  O     14.70690346      8.60740442    -14.57249083
  H     15.25886547     10.16825440    -14.02211654
  H     17.30242353      6.42313747    -12.00939693
  O     11.75122911     11.76496464    -12.89012575
  H     16.49384369     10.58073767    -13.20462892
  H     14.02178468      7.86053871    -19.24476420
  O     11.12937493      8.99126871    -12.58147938
  H     14.56003730      6.37417363    -17.24020956
  H     14.79749349      8.57407961    -18.11205534
  O     19.48284144      8.45873349    -13.84604115
  H     14.09685564      5.54928546    -16.01240382
  H     14.70157313     11.15769999    -12.21853108
  O     16.69535021      6.98552239    -11.50796628
  H     15.60116504      7.15634830     -8.42804682
  H     13.26520551     11.48074705    -11.79512519
  O     14.09732095      7.92231706    -18.29626379
  H     15.93406270      7.36666812     -9.92229114
  H     15.62444489     11.79151584    -15.24318876
  O     14.10872524     11.15707411    -11.45393159
  H     17.79468455      4.83194218    -16.45072254
  H     15.84138919     12.96235941    -16.23058297
  O     15.42370324     12.10934307    -16.14118571
  H     16.42484455      5.46407283    -16.12455557
  H     11.83201222      8.39768233    -15.88368335
  O     12.50050315      8.98033027    -16.26698394
  H     12.04127361      6.07417409    -14.77442696
  H     12.89117265      8.55136579    -17.03888343
          69
 Ord_Energy   -247.942032    
 O   -5.97185516       5.57501221       1.84204125    
 H   -5.68739128       4.71857738       2.19695878    
 H   -6.84683180       5.42180347       1.46576512    
 O   -8.58063316       4.79858303       1.19434106    
 H   -8.46406078       3.83935833       1.32250476    
 H   -9.18572521       4.90446615      0.465382010    
 O   -3.64924359       8.04479694       4.28310919    
 H   -3.25388694       8.90136242       4.14447260    
 H   -3.46206975       7.51848698       3.48496962    
 O   -9.01061058       5.89090109       3.80996513    
 H   -8.25472641       6.46711969       3.97023010    
 H   -8.92504406       5.57556868       2.90040994    
 O   -3.13901615       3.22237682       7.26223946    
 H   -2.96726084       4.10310364       6.90783644    
 H   -3.00424314       2.60380244       6.53380489    
 O   -9.15162086       1.07494593       3.94456410    
 H   -9.26464653       1.90598106       4.42496920    
 H   -8.51255512      0.555876553       4.44512367    
 O   -5.06293011       2.76708245       9.10367680    
 H   -4.63825274       2.61937928       9.94460106    
 H   -4.35322905       2.94761753       8.46130085    
 O   -4.78995037       5.59664592E-02   4.07634449    
 H   -5.05918455      0.223061144       3.16493249    
 H   -5.60044098     -0.146178126       4.55863953    
 O   -5.79692364       5.48064327       6.32133341    
 H   -6.32050276       5.45069933       7.13392973    
 H   -6.18179750       6.09212065       5.68033743    
 O   -8.20075798       2.14708400       1.57126892    
 H   -8.60498905       1.73291278       2.34761429    
 H   -7.37577772       1.67371261       1.42482400    
 O   -2.54564285       4.02570868       3.74350214    
 H   -2.69597960       4.62273407       4.49218369    
 H   -2.42341208       3.14444685       4.11966085    
 O   -5.04599237       3.23189187       2.90881324    
 H   -4.15221834       3.50802374       3.14983082    
 H   -5.52139378       3.04948449       3.73358464    
 O   -2.66675305       1.49667048       5.02506399    
 H   -3.44173980       1.00657165       4.70025253    
 H   -1.96217096      0.858012021       5.10639572    
 O   -7.20363998     -0.437041521       5.52929306    
 H   -7.11094856      0.102964908       6.33127785    
 H   -7.48224688      -1.30475616       5.81394958    
 O   -9.17072392       3.02770686       7.90449858    
 H   -9.21936989       3.27392435       6.96337700    
 H   -10.0679331       2.95931292       8.21925545    
 O   -7.05184889       4.82142687       8.65286541    
 H   -7.85001373       4.30299854       8.49497890    
 H   -6.37407923       4.18672466       8.91893959    
 O   -3.26722741       6.35665369       2.17953014    
 H   -4.16048717       6.13719130       1.88053143    
 H   -2.88334560       5.54028273       2.52182913    
 O   -6.38836622       7.10552788       4.15086794    
 H   -5.56987953       7.60284996       4.26564932    
 H   -6.25987673       6.58503485       3.34327149    
 O   -3.12678075       5.72337151       5.88360023    
 H   -3.09332442       6.59263229       5.46889400    
 H   -4.06336308       5.60260773       6.11187983    
 O   -6.92841148       1.36464226       7.57815933    
 H   -7.74643469       1.84826863       7.75951290    
 H   -6.25446606       1.72597289       8.16884327    
 O   -6.27510881       2.99680352       5.32752705    
 H   -6.04262972       3.85893154       5.70730019    
 H   -6.36050987       2.37659311       6.05857754    
 O   -5.55397129      0.990832567       1.47454619    
 H   -5.32772493       1.83415711       1.90736651    
 H   -5.03656292      0.945536137      0.674093425    
 O   -8.99578476       3.57530618       5.26149797    
 H   -9.13623333       4.41105652       4.79492617    
 H   -8.05248547       3.37478828       5.17603016    
          69
 Energy    -247.94198792064293     
  O     -4.58579354      4.46230358      2.35765445
  H     -5.41576757      4.73973901      2.73771619
  H      1.82079673      3.57656261      3.53123794
  O     -2.90369481     -2.18088064      1.65158516
  H     -3.94262008      4.43488583      3.08680578
  H     -4.02466265      4.51533499     -1.70983457
  O     -1.12090310      3.96865632     -2.63556203
  H     -3.51622137     -2.87779535      1.87055988
  H     -4.62964380      4.34168185     -3.12436100
  O     -3.40709160      1.52994775     -1.27540563
  H     -3.16157153     -1.84600087      0.77325793
  H     -0.49345755     -1.86822459     -1.06906055
  O      1.59745105      0.65753744      4.58204432
  H     -2.07884166      3.97718137     -2.75459624
  H     -0.42223766     -2.24788630     -2.56745119
  O      1.23023658      5.74420147      1.13885593
  H     -0.87958272      3.04079838     -2.52613671
  H     -3.62083451      1.88469677      0.46323751
  O     -1.08266174      3.33823105      1.11660684
  H     -2.45913555      1.45467429     -1.46125459
  H     -4.06142900      2.81551889      1.65967718
  O     -0.98094056      1.92153229      4.80754820
  H     -3.72752034      2.29507937     -1.76912012
  H     -1.85874750      4.67197069      4.03848265
  O     -3.39028270     -1.25353779     -0.85229559
  H      2.00304456     -0.08037698      5.03006697
  H     -2.40488476      3.42630056      4.70620746
  O     -2.11149439      0.22596846      2.86532834
  H      1.30543196      0.33194486      3.71273267
  H     -0.66675330      0.27130332     -2.03745064
  O      0.57345020     -0.04381928      2.13908540
  H      1.92488102      5.10016460      0.95160986
  H     -0.01760489      1.41271376     -1.21938816
  O      2.64493028      3.07444236      3.46861165
  H      0.95232202      5.56458936      2.04194845
  H     -0.23177439      3.47438931      4.03880924
  O     -4.01803565      3.95261747     -2.50561283
  H     -1.94582702      2.92135212      1.21019449
  H     -0.29911141      3.94008761      2.58610324
  O     -0.76847470     -1.59683951     -1.96302802
  H     -1.17223976      4.11340625      0.54506871
  H     -4.07478961      5.20979397      0.64745170
  O     -3.53527716      2.04528438      1.41435886
  H     -0.12464170      1.50673362      4.96833825
  H     -2.89530782      5.67591705     -0.25067170
  O     -2.68504288      4.26590604      4.32417671
  H     -1.44767055      1.31465817      4.21485510
  H      1.81097486      2.41797994      0.29128590
  O     -0.69046633      1.22473025     -1.88895631
  H     -3.58198428     -0.32264907     -1.02413197
  H      0.27620633      2.41297295      0.52895545
  O      0.05791109      4.18982561      3.45394145
  H     -2.58589951     -1.44652203     -1.35015026
  H      0.20842120     -1.60045647      1.13943181
  O     -3.83551897      5.44252049     -0.25560691
  H     -2.65863192      0.86232712      2.38060563
  H     -1.09461665     -2.40709760      1.02493558
  O      1.01720520      1.87827014      0.19898049
  H     -2.41547660     -0.64901242      2.59376051
  H      4.06234528      3.70241955      0.65681108
  O     -0.22928575     -2.28344906      0.61516831
  H      0.81102308      0.59016914      1.44780242
  H      3.07584033      3.37823186      1.80721378
  O      3.13686375      3.59538828      0.85903556
  H     -0.36445477      0.08810005      2.34318838
  H     -0.21607153      5.80373203     -0.01563951
  O     -1.06974053      5.61888346     -0.43024802
  H      2.45870705      2.23390072      3.90224159
  H     -0.92619463      5.14032242     -1.26196152
          69
 Energy    -247.94175341838849     
  O     12.15253411     10.72575512    -13.46129568
  H     12.34278909     10.23081526    -14.27784832
  H     19.96888966      6.57080320    -15.37748310
  O     15.31512570      6.13827069    -14.11486726
  H     11.23549692     10.98396389    -13.50838773
  H     16.64275292     11.51133480    -16.39095619
  O     18.01548175      8.99958707    -11.50910967
  H     14.99141028      5.70723525    -14.91337613
  H     15.28576847     11.95201041    -15.79437816
  O     18.48104620     11.03552267    -16.01615410
  H     15.34071404      7.08899031    -14.31308860
  H     14.54156923      9.01658603    -15.04876282
  O     11.99372729      6.78356700    -15.65101394
  H     17.86759558      8.12150893    -11.88995143
  H     15.61735955      9.40154353    -13.98425871
  O     14.64520689      9.97988464     -8.94497921
  H     17.79952207      8.93295348    -10.57111620
  H     16.39894428      6.98390286     -9.70617254
  O     13.86266301      6.66992023    -11.81956896
  H     19.14751003     11.63795360    -16.33680996
  H     16.73328264      6.16354200    -10.96455746
  O     15.89383685     10.45095067    -12.53839830
  H     18.81378846     10.68283286    -15.17222470
  H     10.93047436      5.38645758    -12.50847800
  O     15.38386576      7.45797534    -17.95901694
  H     12.68665725      6.19860669    -15.97805229
  H     12.23085473      6.20124370    -12.48374748
  O     17.52829665      8.42408074    -16.40755246
  H     11.74874991      6.46815479    -14.76954508
  H     19.61638313      8.86534916    -14.12171144
  O     14.29035616      5.35989330    -16.61475049
  H     14.17056292      9.78348585     -9.76866770
  H     19.06718515      9.66156546    -12.93334264
  O     19.35893956      7.07789176    -14.84778119
  H     14.30175369     10.81536739     -8.63805739
  H     18.34811304      6.54882765    -13.33247361
  O     15.71688025     11.65773257    -16.61059823
  H     14.52081419      6.47596974    -11.13697896
  H     16.85201038      6.24238890    -13.15255322
  O     15.40775887      8.78088496    -14.69341864
  H     14.28240535      6.42923854    -12.65825848
  H     17.37736104      8.63229228     -8.02027226
  O     16.08935435      6.25036244    -10.25019819
  H     15.12432371     10.11412135    -12.05823657
  H     16.18044965      9.12513781     -8.86727321
  O     11.45006598      6.00001884    -13.02207254
  H     16.67434431     10.03676591    -12.14976952
  H     13.84435898     10.50055247    -18.83744452
  O     19.46929639      9.76490957    -13.80506677
  H     14.90943165      8.28864432    -18.08724942
  H     14.73852086     10.63142962    -17.58080435
  O     17.65917459      6.45883460    -12.66290094
  H     16.23680385      7.70874971    -17.58129280
  H     12.98428567      9.82388457    -12.06433912
  O     17.01348649      8.62410136     -8.90177782
  H     17.91949513      9.30271446    -16.49009682
  H     13.59520614      8.45819041    -11.58925849
  O     14.13907842     10.03070679    -18.06221152
  H     16.76461098      8.53975971    -15.81874090
  H     13.66590170     11.94354172    -13.94506851
  O     13.55927402      9.40844074    -11.40926549
  H     14.66613958      6.08837269    -17.14105471
  H     15.13873895     11.80771071    -13.55995769
  O     14.54364713     12.27220536    -14.16558768
  H     14.28791836      4.58945127    -17.17612903
  H     13.14292238      9.59047077    -16.56288226
  O     12.84721808      9.33737696    -15.68066177
  H     18.70620192      7.45948042    -15.45937435
  H     12.48381164      8.43741510    -15.71699462
          69
 Energy    -247.94174960424033     
  O     13.03403115      9.14105830    -16.72124709
  H     12.78404394      8.92240731    -15.80565626
  H     16.89166716      4.41275175    -14.94422828
  O     17.21691538      6.19407079    -12.60925713
  H     12.22329401      9.27439046    -17.20464581
  H     20.40701607      9.12889256    -12.77624244
  O     20.11810002     11.00550422    -12.34442741
  H     17.02704479      5.33635304    -13.00704576
  H     19.87277398      7.87500740    -12.08311968
  O     19.83069479      9.73996951    -16.88568265
  H     17.11511888      6.84112197    -13.32463733
  H     16.71660370      9.58716280    -17.65766167
  O     13.94462620      5.72718067    -14.14484841
  H     19.27052591     10.86812550    -11.88840556
  H     18.23036279      9.28893834    -17.77625870
  O     15.35271623     10.48194379     -9.72222749
  H     20.65712241     11.54257541    -11.76928752
  H     17.76035838      7.77609955    -15.06562284
  O     14.70750888      6.84661114    -11.68626344
  H     20.55371796     10.20216394    -17.30103396
  H     16.22109099      7.61655026    -15.33751588
  O     16.22692547     10.40157866    -13.88138155
  H     19.48662498     10.32503883    -16.18727160
  H     12.83204124      7.42742807    -14.06669853
  O     17.92637315      5.12722136    -16.17283688
  H     14.60346946      5.02692326    -14.06431082
  H     12.98696215      8.84373687    -13.46189342
  O     15.90918656      7.86484129     -9.31010225
  H     14.17953792      6.15785801    -14.98116675
  H     18.15581310      8.63459668    -10.97882657
  O     19.48762748      7.36398754    -15.40163301
  H     15.05042904     10.93947291     -8.94276969
  H     18.05599672      7.12365102    -11.33840359
  O     16.34702871      4.06882353    -14.21286945
  H     15.51654079      9.55648370     -9.46263443
  H     19.35168695     11.25970272    -14.04312738
  O     20.31269626      8.17561186    -12.88598565
  H     14.22763899      6.42777973    -12.41150579
  H     17.91563740     11.15061204    -14.59334635
  O     17.36274986      9.00903726    -18.08814176
  H     15.63332444      6.63934754    -11.88148656
  H     16.91058215     10.56464999    -10.76286907
  O     16.87683152      7.93965638    -14.70731680
  H     15.42448897     10.24506780    -13.36527964
  H     17.16614777     10.42008247    -12.27977490
  O     12.56039038      8.34621844    -14.17140715
  H     16.50893059      9.52658815    -14.20209935
  H     16.97963171      7.36911162    -18.34619704
  O     18.42646929      7.75014083    -10.69630675
  H     17.55095822      5.47098489    -16.99223697
  H     16.71049298      6.20693315    -19.33537771
  O     18.83584960     11.25053831    -14.85953044
  H     18.59846471      5.76827478    -15.90500998
  H     14.40244407      8.61094407    -11.99895254
  O     17.60319191     10.41274542    -11.41740562
  H     15.36280640      7.38760483     -9.94778397
  H     14.39414042     10.00486880    -11.34490386
  O     16.70073871      6.43571961    -18.41057152
  H     16.82511579      7.71288343     -9.57744971
  H     15.66590787     10.67287376    -15.76335785
  O     14.19631265      9.54373739    -12.16770603
  H     19.72853390      8.09752622    -15.98084309
  H     14.60060335     10.18942964    -16.75771089
  O     15.49357024     10.55301272    -16.70292104
  H     19.84426989      7.56704421    -14.52300903
  H     14.25886522      7.72330013    -16.69051450
  O     14.84093262      6.99959892    -16.42743325
  H     16.48126625      3.12480312    -14.19708923
  H     15.36458622      6.73670560    -17.19485333
          69
 Energy    -247.94139804248846     
  O     10.84538075     11.36586842    -15.54124939
  H     10.72472031     10.51861804    -15.10193941
  H     20.40804923      9.34350255    -14.49595231
  O     14.43167503      6.88732136    -12.49544309
  H     11.12018275     11.99730002    -14.85956775
  H     16.19254317      9.06859155    -10.76287765
  O     16.39857968     11.27678662    -13.92522900
  H     14.83598370      6.83991651    -13.37076975
  H     16.93374145      7.82944288    -10.20671684
  O     12.42837692     12.05043030    -17.65040694
  H     15.09460556      7.28420916    -11.91807443
  H     17.23812874     11.04259646    -17.01967271
  O     13.68839219     10.71643524    -13.78050072
  H     16.46277462     11.41583601    -14.87998649
  H     15.69754675     10.89232333    -17.00832486
  O     15.37716751     13.04873900    -12.02952808
  H     16.80153044     10.41853662    -13.74214732
  H     12.07314511     12.98125913    -12.72633265
  O     11.80631528      7.46253107    -12.14115812
  H     11.84207316     11.77618139    -16.92332293
  H     12.71136206     13.73141300    -13.90980207
  O     14.27571512     14.76798887    -14.06819382
  H     11.86554001     12.40672235    -18.33308664
  H     14.52387299     10.35169944    -10.57141130
  O     16.43668519      8.00765891    -17.60170137
  H     13.18237093     11.53651032    -13.83918518
  H     15.54428037     11.47866093    -10.81652214
  O     12.85764342      9.96097179    -11.24521506
  H     14.62761779     10.94118465    -13.80158880
  H     10.94730263      8.25806200    -13.57019741
  O     15.53316972      7.31119614    -15.08213307
  H     15.86890323     12.47061767    -12.63174017
  H      9.72939988      8.19660540    -14.51401268
  O     19.65928702      9.21717997    -15.07279312
  H     15.04727641     13.75296676    -12.60175467
  H     13.81348284     13.11257786    -16.86503651
  O     16.52447317      8.18178467    -10.99234775
  H     11.45861539      6.77921144    -11.57356600
  H     15.32051665     12.94300030    -16.58950655
  O     16.42590650     11.44962290    -16.69618379
  H     12.73990037      7.23461828    -12.30552263
  H     17.21681676      8.48007340    -12.66112908
  O     12.07423872     13.03976310    -13.69385309
  H     14.44457215     14.37192492    -14.94251650
  H     16.77369879      8.20062596    -14.12749375
  O     15.45378934     10.59318116    -10.44920819
  H     14.32376751     15.71349836    -14.18168384
  H     13.86457311      9.40862571    -16.93517458
  O     10.56477201      8.63798065    -14.37686939
  H     17.22569130      8.56099772    -17.63584910
  H     13.66655639     10.64044109    -17.82818631
  O     14.57286371     13.53848937    -16.44966638
  H     15.70197834      8.58909258    -17.83601993
  H     13.57714869     12.90748781    -11.21883178
  O     17.40661819      8.69252588    -13.58332522
  H     13.17122528     10.19778933    -12.13313515
  H     12.54996229     11.80898634    -10.90122457
  O     14.28397956      9.92266214    -17.64085670
  H     12.39818905      9.12364918    -11.35245954
  H     19.05875193      9.65408071    -16.65894361
  O     12.64046654     12.76232409    -11.03094955
  H     14.65716292      7.71225290    -15.18171969
  H     19.31912967      9.95871808    -18.15344203
  O     18.62920050      9.89308004    -17.49847455
  H     15.94084299      7.37761004    -15.95765509
  H     13.36602339      9.40890273    -14.86959682
  O     13.15716006      8.66081661    -15.45436169
  H     18.91119803      8.98923441    -14.49730726
  H     12.22678099      8.47256831    -15.30027097
          69
 Energy    -247.94128792808240     
  O      1.83728718     -0.18034003      0.08958231
  H      2.21290761      0.68968788      0.26547292
  H      6.62906503      0.71477134      0.99774306
  O      8.53479545      3.11364105      1.64776835
  H      1.87874045     -0.28929785     -0.87150020
  H      5.65285590     -2.56627680     -1.53723401
  O      6.90757580     -2.88837450      2.38019807
  H      9.36136154      3.07865696      2.12220007
  H      6.94878899     -2.15411565     -2.26714907
  O      5.25111866      1.61234512     -3.85831871
  H      8.10681217      2.24703793      1.76189570
  H      4.29755420     -1.62088418     -4.92831751
  O      8.63586493     -1.31070781     -1.88717941
  H      7.25841938     -3.67977542      2.77930669
  H      5.01917686     -1.56224662     -3.56231268
  O      3.54124991      2.09291126      0.35635849
  H      7.64314298     -2.46218529      1.90429230
  H      4.57321548      4.92410930     -0.79659562
  O      7.39357262      1.08417951     -2.23178649
  H      5.00200690      0.71619203     -4.12011241
  H      4.43453364      3.68823888      0.12553211
  O      2.19531674     -0.09115292     -2.65852800
  H      4.50814567      1.95556427     -3.34094442
  H      3.70435309      6.13557395     -2.97325851
  O      6.29046067      4.25862184     -3.48465298
  H      8.27801933     -0.42136095     -2.05412951
  H      4.80360902      5.04326908     -2.96029667
  O      2.98317416     -1.76579706      1.91147856
  H      9.39606943     -1.41164697     -2.45518959
  H      5.35993470     -0.63352428     -0.22920562
  O      4.11196757      2.06058763      3.00212082
  H      4.20046093      1.44285292      0.06216048
  H      6.07453568      0.46726338     -1.08670190
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  H      3.60498481      2.12566887      1.32432465
  H      5.84732181     -1.45588014      3.16743525
  O      6.02641168     -2.39397022     -2.41206160
  H      7.51469222      1.91956153     -1.75825770
  H      4.44149206     -0.94897513      2.85425390
  O      4.46748752     -1.05266986     -4.18129606
  H      6.71289990      1.23755679     -2.90291657
  H      7.98218876      3.47219455     -0.12484620
  O      4.97096393      4.47600354     -0.04100808
  H      2.91393923     -0.49174717     -3.16028561
  H      6.58076634      3.84666117     -0.63349048
  O      3.96362560      5.32072837     -2.55229598
  H      2.33013551      0.86238185     -2.72638327
  H      8.32870275     -0.62927139      1.23371162
  O      5.48298347      0.31762118     -0.33995284
  H      6.03967820      3.38605156     -3.81487009
  H      8.74253129     -1.46527380     -0.00145590
  O      5.27418365     -0.68480066      3.26901774
  H      6.87124949      4.10264360     -2.72985209
  H      3.20046124      3.57646512     -2.50564814
  O      7.44366468      3.51644531     -0.92416721
  H      2.32054813     -2.26607086      2.38006473
  H      3.12632027      2.46740425     -1.43274184
  O      8.71442174     -1.47368343      0.96277188
  H      2.50730534     -1.20634674      1.27076964
  H      5.76587993     -2.67776450      0.89895827
  O      3.08281690      2.62624340     -2.38531375
  H      4.79481806      2.74891376      3.02454082
  H      4.28429345     -2.31279510      0.70735637
  O      5.11571874     -2.43027516      0.22923272
  H      4.51433562      1.24935051      3.32397722
  H      5.62108731      4.46167165      1.77885708
  O      5.97827755      4.11059588      2.60487007
  H      6.62628521      0.36444084      2.47883811
  H      6.89497024      3.89104947      2.40608134
          69
 Energy    -247.94115031721719     
  O     -6.63324135      3.49802426     -1.66184309
  H     -6.52625515      3.40887091     -0.70802812
  H     -5.10261915      2.03063357      4.37866259
  O     -3.01739194      2.37821191     -3.51967383
  H     -5.81987647      3.90423552     -1.98767631
  H     -0.67326084      1.14261334      1.89736514
  O     -5.94403482      2.68657122      1.02796548
  H     -3.60745181      1.62085608     -3.40928370
  H     -0.76827757      2.44083461      1.06080512
  O     -3.86055036     -0.44889446      2.18087765
  H     -2.13275136      2.05031438     -3.31399823
  H     -2.41189773      2.23958872     -0.33074848
  O     -1.17172603     -1.06991683     -1.12545686
  H     -6.48167707      1.91593604      0.77219704
  H     -2.24730899      3.74088898     -0.15555204
  O     -4.68498352      0.29056086     -2.66210012
  H     -5.66123943      2.51717007      1.93574480
  H      1.93244789     -0.37495731      1.57974675
  O     -5.64444202     -1.94733017      0.64038842
  H     -4.27414530      0.25479746      2.69585773
  H      0.61937045     -1.14735066      1.79011569
  O     -3.82498889     -2.01739592     -1.35707520
  H     -4.55227587     -1.01187984      1.80858559
  H      1.34416228      1.80408717      1.54100355
  O     -0.62661230      1.41734135     -2.34973642
  H     -1.07705466     -0.23659510     -1.60711134
  H      2.85401617      2.09180079      1.68916511
  O     -1.16952154     -0.58010743      1.62673501
  H     -0.31968685     -1.52097610     -1.18647682
  H     -7.18591407      1.97929772     -2.32794154
  O      1.47266477     -2.04079569     -1.00930582
  H     -5.62885596      0.48087968     -2.72330702
  H     -8.11511681      1.09749990     -3.19881579
  O     -4.81169140      1.90104543      3.47983830
  H     -4.39344489      0.58871192     -1.78586542
  H     -2.92995434      4.04276664      2.13074438
  O     -0.40811766      2.07461194      1.88301344
  H     -6.02318936     -2.81290735      0.76881751
  H     -1.86616599      3.05491139      2.67121135
  O     -1.74243368      2.94356267     -0.34317567
  H     -4.99272457     -2.03012380     -0.08008482
  H     -7.36882787      0.50280642     -0.75095590
  O      1.55981649     -1.26555625      1.59625973
  H     -4.15790660     -1.37311092     -1.99693790
  H     -6.71578061     -0.40418864      0.32136368
  O      2.22813121      1.50488619      1.27212596
  H     -2.88326826     -1.82157673     -1.26852071
  H     -4.55744587      1.75280988      0.16060178
  O     -7.39952406      1.05992002     -2.57028984
  H     -0.91267302      2.06368503     -1.68811607
  H     -3.71526083      0.53090485      0.56178749
  O     -2.70747931      3.48026921      2.88097070
  H      0.31622694      1.26469124     -2.19024910
  H     -4.60807649      4.13499583      0.68661227
  O     -7.18320942      0.43023760      0.19374983
  H     -2.07426950     -0.65751306      1.95577376
  H     -3.94910263      4.78582494     -0.53623169
  O     -3.83735061      1.18341018     -0.13813518
  H     -1.20027733     -0.74428112      0.67260341
  H     -3.68728255      3.81241905     -2.78698016
  O     -3.84540676      4.66128191      0.41847589
  H      1.57109270     -1.86548575     -0.05629412
  H     -4.01294731      5.30495790     -3.01551658
  O     -4.11967569      4.59091265     -2.39207265
  H      1.96334937     -2.83577551     -1.19780022
  H      1.89259919     -0.19627146     -1.45518214
  O      1.92148174      0.76654365     -1.51535809
  H     -4.02310478      2.45988273      3.35312022
  H      2.09802153      1.07753109     -0.61936617
          69
 Energy    -247.94113215772066     
  O     -1.22096725     -5.45950277     -3.66910833
  H     -0.78808014     -6.17519784     -4.14865043
  H      0.33347707     -5.22146864     -1.18370202
  O      0.64485413     -3.43990905     -4.06016033
  H     -1.12166972     -5.67277592     -2.73291387
  H      3.05486786     -8.59625842      3.03939192
  O      1.03281849     -6.72844138      4.28567300
  H     -0.15262140     -3.98691838     -4.05344867
  H      3.23427965     -9.59434494      4.20635889
  O      1.67594254     -4.05386590     -1.59028903
  H      0.99732617     -3.50296336     -3.15880400
  H      1.94534203     -2.14214575     -4.49156192
  O      2.87986614     -4.24299957      1.86145325
  H      1.66278533     -7.45778005      4.33928340
  H      3.36835120     -2.29088863     -5.06823930
  O      3.23295490     -6.17320213     -2.55398115
  H      1.52957480     -5.94211631      4.54620776
  H      1.43627172     -5.44187913      1.57552281
  O      2.41042455     -5.32071049     -5.10228388
  H      2.23708176     -4.78481889     -1.88672614
  H      0.71580734     -6.42692540      2.51977314
  O      1.12021202     -8.01852664     -2.32637790
  H      2.24881759     -3.46348343     -1.08809875
  H      4.27928321     -3.39672883     -0.50356845
  O      4.26107176     -0.94554873     -2.41029133
  H      3.56142565     -4.91710962      1.71983521
  H      3.86701373     -1.95521743     -0.90395693
  O      0.55653449     -7.36315956     -5.00039217
  H      3.07593125     -3.52831090      1.24368616
  H      2.08476122     -7.56086750      1.32519100
  O      4.60862640     -3.70028455     -5.61548414
  H      2.64176045     -6.91696959     -2.38286687
  H      2.65219554     -8.84785898      0.63544833
  O     -0.21750961     -5.99294325     -0.98421158
  H      3.08431894     -5.91363333     -3.47314262
  H      5.24629133     -5.38783300     -0.16480795
  O      3.13897613     -8.66697386      4.00544342
  H      3.19610284     -4.85157449     -5.41061742
  H      4.57750778     -5.44813747     -1.56016707
  O      2.79506142     -1.69037738     -4.57704888
  H      1.78053428     -4.64495060     -4.80746501
  H      1.92348941    -10.81759900     -0.92811479
  O      0.84905211     -6.20967495      1.58509977
  H      0.88591216     -7.93458636     -3.25879749
  H      1.78578465     -9.33861220     -1.33157048
  O      3.68810915     -2.66292194     -0.27265851
  H      0.58213251     -7.38052085     -1.83400575
  H      5.40793147     -2.42607238     -2.89846383
  O      2.82943004     -8.17823632      1.30986750
  H      4.48919452     -0.02216524     -2.47820118
  H      5.75868814     -3.86379786     -2.46055117
  O      5.17652195     -4.92276338     -1.00930191
  H      3.67834008     -1.14614722     -3.16415219
  H      2.68872096     -3.61191408      5.05783592
  O      2.20448377     -9.93763777     -0.69199759
  H      0.39717223     -7.79088164     -5.83810084
  H      2.76260518     -4.25735493      3.65557486
  O      5.78033341     -3.25900811     -3.21306609
  H      1.24605641     -6.69568699     -5.15321211
  H      4.22291389     -6.97086998      1.26670780
  O      2.75140514     -4.45070260      4.60814427
  H      5.08631077     -3.60054708     -4.77209083
  H      5.03601524     -6.24885039      2.36829191
  O      4.81412013     -6.22158013      1.42581986
  H      5.25336696     -3.59605128     -6.31005019
  H      4.36424690     -7.20828021      4.25458673
  O      4.85428714     -6.37929410      4.17643516
  H     -0.06613185     -6.16181508     -0.04449469
  H      4.24612813     -5.69425054      4.47969097
          69
 Energy    -247.94092773104313     
  O     -7.59122359     -3.58334451      5.26088876
  H     -6.85476887     -3.15209492      5.70699587
  H     -3.88000666      0.78026999      2.29626179
  O     -9.23985189     -2.32474091      2.19735339
  H     -8.39494030     -3.09820658      5.50028274
  H     -6.65491348     -1.16049203      2.93375551
  O     -7.50822164     -4.45433706      2.74019740
  H     -8.70489603     -1.64963354      2.64450032
  H     -7.18484325     -0.42256586      4.20384193
  O     -5.04385352      1.04794697      0.89251426
  H     -8.75489874     -3.15426654      2.28729647
  H     -4.83433862     -2.45630599      7.09868051
  O     -6.85834953      0.18301641      5.92904249
  H     -7.50373800     -5.40648733      2.71696729
  H     -4.80811153     -2.02860694      5.61017363
  O     -9.98607547      1.58638141      0.99475583
  H     -7.52633415     -4.19188222      3.68155406
  H     -0.92213947      3.44168851      3.02563243
  O     -9.89549191     -2.12007574      5.77914144
  H     -5.29708719      0.29332299      0.35006662
  H     -2.33504299      3.63413498      3.62182070
  O     -3.93408710     -1.78392554      4.14785380
  H     -5.86872955      1.40856028      1.24977623
  H    -11.23408784     -0.16201690      3.45517956
  O     -3.89738383      3.64332850      1.02208895
  H     -6.36558371     -0.59036714      6.23064678
  H    -10.35104859      0.80768867      4.26043856
  O    -11.62057651     -2.01870004      3.48308694
  H     -6.21748897      0.85524122      5.64945032
  H     -5.74831317     -2.15022412      1.15589521
  O     -6.11547121     -1.22644831     -0.42808627
  H    -10.63094956      2.19698873      0.64838033
  H     -6.21599265     -3.23260874      2.18490290
  O     -3.31398314      0.72476725      3.08008083
  H    -10.31490039      1.29298823      1.86423964
  H     -9.18793074      0.06415428      0.15127340
  O     -7.35361312     -0.58287010      3.26785948
  H     -9.80997181     -1.17602985      5.95653025
  H     -9.02444474     -1.39635289      0.59816905
  O     -5.38492799     -2.13775601      6.38879123
  H    -10.58072533     -2.18817810      5.10398913
  H     -9.75062305      1.29182598      6.71022570
  O     -1.82231556      3.13342509      2.96434821
  H     -3.57204322     -0.94209638      3.84260032
  H     -8.56167656      0.59425460      6.01390060
  O    -10.81517032      0.70663627      3.42059843
  H     -4.41539057     -2.14395694      3.39037536
  H     -4.28450727      4.59743158      4.20142850
  O     -5.63350874     -2.47205468      2.05879761
  H     -3.08668445      3.51183213      1.52819624
  H     -3.83987121      3.56633846      5.21716311
  O     -8.76606584     -0.76883045     -0.09039022
  H     -4.20082995      2.75879272      0.77713044
  H     -5.39680231      2.64772853      4.31157147
  O     -9.52475343      0.72321347      5.97808846
  H    -10.82322079     -2.19559017      2.95301768
  H     -4.44800667      1.43827384      4.35177099
  O     -3.52962020      4.35395499      4.75375747
  H    -12.32290852     -2.54646318      3.11310907
  H     -8.27753230      1.95557599      1.62316921
  O     -5.06771666      1.94693515      4.89223472
  H     -5.95774666     -1.50039686     -1.32767663
  H     -7.42460258      1.05823688      2.54268950
  O     -7.42696155      1.90620903      2.07388876
  H     -7.06703062     -1.03007841     -0.35701032
  H     -6.52024578      3.39359798      2.73805535
  O     -5.79935605      3.96462093      3.03579225
  H     -2.68116424      1.45093928      3.02231583
  H     -5.16499703      3.97555196      2.30249717
          69
 Energy    -247.94088874813912     
  O     12.42594395     11.83799703    -14.75437202
  H     13.20649903     12.40305334    -14.70437126
  H     13.12331483      6.32303644    -15.88411286
  O     15.13385366      6.58579244    -13.49411706
  H     12.18954268     11.59053730    -13.85193519
  H     18.10408536      6.37757537    -14.29072014
  O     18.25799659     10.72438217    -12.64577350
  H     16.05092668      6.32729933    -13.35188299
  H     18.10817888      4.99579450    -13.60888268
  O     17.66767706      9.73054015    -15.10738228
  H     14.74032303      6.82795784    -12.64401547
  H     15.80306529     11.15253515    -17.18175879
  O     11.56128262      7.36303429    -15.48536261
  H     17.35759376     11.07630244    -12.59675698
  H     16.92417638     11.15579505    -16.13057834
  O     15.97542880      9.47053662     -8.99726433
  H     18.40745576     10.27947604    -11.80398100
  H     14.31004022      9.31414781    -14.99539122
  O     13.88476993      7.52575723    -11.22930375
  H     18.02567107     10.07551991    -14.27483609
  H     15.05800178      8.28963228    -14.09287542
  O     15.54107470     11.39833251    -12.78558749
  H     16.73413310      9.52518651    -14.94291007
  H     11.50789554      9.87277800    -12.42579484
  O     15.89610192      7.44334413    -17.39327823
  H     11.99706339      8.17887729    -15.79116037
  H     10.72062623     11.07614713    -11.85772486
  O     15.57243043      6.62613272     -9.19386434
  H     10.74232339      7.29158251    -15.96940041
  H     17.93671245      6.52643592    -11.65489059
  O     18.40538356      7.25664667    -15.85239132
  H     15.76769410      8.53311065     -8.90076852
  H     18.14099823      7.64947359    -10.60487832
  O     14.02426860      5.99166111    -15.97258637
  H     15.24548046      9.85590336     -9.49993171
  H     12.27645292      7.75720426    -12.24714305
  O     17.88835685      5.91462184    -13.46622522
  H     14.33758949      7.12621196    -10.47627712
  H     11.56666311      7.79015718    -13.63077128
  O     16.27468532     11.72439432    -16.56356720
  H     13.95856341      8.48418454    -11.11584367
  H     17.58279225      9.53422516     -9.69866963
  O     15.04599339      9.21097604    -14.38139510
  H     15.35284068     12.15851549    -13.34831768
  H     19.09853944      9.72928606     -9.47061772
  O     11.57448473     10.81772516    -12.19549512
  H     15.33017841     10.61253909    -13.31576765
  H     15.28587034      8.96657931    -17.91931203
  O     17.80216648      6.75281346    -10.72850298
  H     15.22605279      6.88897309    -16.96380184
  H     14.82425953      9.82498066    -19.12128990
  O     11.55811844      8.16850189    -12.74372036
  H     16.72372210      7.27708275    -16.93431662
  H     13.11087585     10.54967184    -11.12764001
  O     18.45805605      9.43706860    -10.11439006
  H     16.38278130      6.59313858     -9.73476079
  H     14.60265591     10.76167178    -11.42259081
  O     14.89385494      9.82361862    -18.17049410
  H     15.64119500      5.92940838     -8.54740534
  H     15.09709245     14.17561850    -14.93788280
  O     13.99291517     10.31382843    -10.81656228
  H     19.17941576      7.26430185    -16.41001882
  H     15.39814510     12.74985105    -15.45707153
  O     14.90846188     13.25434643    -14.78233213
  H     18.22154841      8.18431955    -15.61613612
  H     13.49414368      9.76447570    -16.94974583
  O     12.91192701      9.60083327    -16.19846232
  H     14.40129978      6.05990550    -15.08395448
  H     12.68397024     10.44482621    -15.77696130
          69
 Energy    -247.94063140118928     
  O     15.26514778     10.03375101     -9.50411416
  H     15.76358933     10.86035303     -9.52697818
  H      9.68702152      5.12193714    -13.93173958
  O     17.46929037     11.57222037    -14.07985904
  H     15.78306483      9.38796610    -10.00555810
  H     10.48457664      8.79621531    -10.33641731
  O     10.87838933     11.19652837    -14.18401142
  H     17.76569942     11.13059030    -13.26343906
  H     11.22163708      9.96496417    -10.98525039
  O     10.90085766      8.41876989    -13.56894848
  H     18.25509575     11.82369273    -14.55752062
  H     14.41014482      5.43541102    -10.56806803
  O     13.44424452     11.82327217    -13.31485603
  H     10.06825016     11.56307264    -13.83295467
  H     13.51354714      6.33997682    -11.43528471
  O     15.15648545     10.08161425    -14.64603045
  H     10.79837667     10.23974819    -14.06682629
  H     10.43816084      7.42447528     -8.20123983
  O     16.74765965     12.35094657    -10.00334186
  H     10.64260270      8.74895878    -12.68951170
  H     10.93514402      6.81827682     -9.53315986
  O     16.78107128      8.10915512    -10.91140041
  H     10.58561790      7.50803485    -13.63889162
  H     16.35489560     12.76092396    -13.04258421
  O     12.83237095      4.74235384    -13.78076056
  H     14.01431626     11.21191851    -13.80331478
  H     14.86432175     12.85575313    -12.67942805
  O     18.14134111     10.47830034    -11.68113926
  H     12.55403384     11.73465646    -13.68065112
  H     16.05106680      5.56699956     -8.56057052
  O     13.27674024      8.00656656    -12.09531258
  H     15.39681471      9.25348132    -14.20707931
  H     14.99564178      6.64652939     -8.90615920
  O     10.32317459      5.69629782    -13.51391366
  H     15.95093797     10.62980848    -14.61422723
  H     10.58701999      5.55263236    -11.56950594
  O     10.43453313      9.40815789    -11.08080379
  H     17.04587326     13.10412034     -9.50108889
  H     11.87212300      5.29224388    -10.76203419
  O     13.67984365      5.41457777    -11.19517292
  H     16.34389861     12.69803788    -10.81949240
  H     14.00128232      6.90538161    -15.64164205
  O     10.99907180      7.59808198     -8.95346302
  H     16.55027973      7.35071346    -10.36136266
  H     14.89375945      5.89002226    -16.39658058
  O     15.74460492     13.13678520    -12.39609657
  H     16.49201790      7.89476746    -11.81046173
  H     13.66847904      9.10312630    -15.40370471
  O     15.66988383      6.05282299     -9.28688173
  H     13.46045588      5.11621261    -14.41005897
  H     12.29087459      8.49044150    -15.04105509
  O     10.93161559      5.50135821    -10.67153520
  H     13.24140752      4.81422697    -12.90741353
  H     12.88632503      7.84503630     -8.60361682
  O     14.57943913      6.12899110    -15.52876768
  H     17.80880189     11.10796358    -11.02934792
  H     14.19384943      8.69457037     -8.63407333
  O     13.05903672      8.38184613    -15.61009268
  H     17.82799052      9.61041320    -11.39678609
  H     14.79551741      7.75869394    -12.93701039
  O     13.83132435      7.82736706     -8.41308434
  H     13.23091991      8.82243969    -11.58116021
  H     15.48458396      7.00519214    -14.09927252
  O     15.64717689      7.63662248    -13.38921558
  H     12.50668904      8.02496913    -12.67514843
  H     13.16600305     11.04929028    -11.71182909
  O     12.96214076     10.52309270    -10.92597218
  H     11.20241919      5.30612977    -13.67305419
  H     13.75714592     10.47970134    -10.37947707
          69
 Energy    -247.94057817120253     
  O     13.67433700      9.80019752     -8.12619879
  H     13.21898215     10.63733938     -8.18548590
  H     13.29580152      8.20026159     -8.95293127
  O     13.08207799      7.69807934    -16.71887102
  H     14.58960257      9.97558667     -8.39026832
  H     18.29919360      5.18857578    -15.75689993
  O     15.19571515     11.75158807    -13.98884803
  H     13.84004420      7.16590925    -16.42598623
  H     18.54976458      6.69647731    -15.57789221
  O     15.10905814      5.60262276     -8.79060550
  H     12.55699650      7.13896168    -17.28639169
  H     13.61573469     11.80413379    -14.69998550
  O     16.32151073     10.12760096     -9.03896368
  H     15.81634921     11.41849871    -14.64724872
  H     12.34449336     12.58750416    -15.11072496
  O     17.04112034      7.97133537    -12.71843812
  H     15.34025375     11.24057975    -13.18101388
  H     12.19533002     10.02956265    -14.65908275
  O     18.47230498      6.22411718    -11.10641487
  H     14.81565289      5.15818458     -8.00013285
  H     12.32660451      8.58933806    -15.18934625
  O     17.37745697      8.13963748    -15.43693292
  H     14.39528594      6.21497683     -9.04967854
  H     13.78891958      9.40419915    -17.14204737
  O     16.76700816      3.98689090    -15.79597537
  H     16.64479688      9.20832246     -9.00518783
  H     13.59940791     10.84622913    -16.63234539
  O     15.28240145      6.35031225    -15.79301880
  H     17.00403942     10.67067556     -8.65370218
  H     12.79006267      8.66658417    -12.87574888
  O     17.54587574      3.38431304    -13.27309394
  H     16.26913360      7.39367270    -12.81190172
  H     14.00195762      9.07173619    -11.97372232
  O     13.24376623      7.39683032     -9.48844544
  H     17.66123334      7.49428137    -12.15358040
  H     15.60117080      5.18125900    -11.85973105
  O     18.97665296      5.83159791    -15.51591066
  H     19.11117002      5.83281612    -11.71467553
  H     15.76076687      4.85341835    -10.35380620
  O     12.77445766     11.74076845    -15.18851596
  H     17.70058307      5.63664153    -11.10872109
  H     17.78126504      7.17003999     -9.62013234
  O     12.05234820      9.10445508    -14.42180283
  H     17.34680560      8.16776824    -14.46854634
  H     16.48718916      6.90827873     -8.82652389
  O     14.15488829     10.29518897    -17.19986658
  H     17.20804420      9.03453965    -15.75491245
  H     20.86407087      4.68728187    -13.23703508
  O     13.31945953      8.40147499    -12.10916074
  H     16.74843800      3.18643344    -16.31366818
  H     19.67539014      5.32850907    -13.99011606
  O     16.13677927      4.67954690    -11.22563920
  H     16.98165319      3.72328229    -14.88284289
  H     14.19712920      6.97532985    -12.72662886
  O     17.17365082      7.56853326     -8.98503143
  H     15.99220934      7.00832781    -15.74654775
  H     14.83844811      6.27775229    -13.98035062
  O     19.95733997      4.96297835    -13.13264652
  H     15.70716205      5.48568422    -15.86648730
  H     16.15876520      9.40958216    -12.09541621
  O     14.83210221      6.30367876    -13.01634251
  H     17.01694033      3.66935627    -12.51588459
  H     15.78030072     10.21604486    -10.83216763
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  H     18.41579334      3.78469981    -13.15553714
  H     17.12829967     11.30681726    -16.83201017
  O     16.66099026     10.70515295    -16.25807622
  H     13.14178526      7.69353437    -10.40165225
  H     15.78832176     10.55134972    -16.66359273
          69
 Energy    -247.94053387819378     
  O     12.82423730     11.58947876    -14.83025728
  H     13.69505742     11.98780402    -14.93584764
  H     16.27588673     11.38721364    -16.51552155
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  H     12.82262408     10.80155678    -15.39382175
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  O     18.26372838      9.18966623    -11.95114249
  H     14.83832399      5.79630116    -14.05800239
  H     16.13160310      8.54010813    -15.21388687
  O     11.59971057      6.88023829    -15.55583015
  H     14.62939491      6.42201267    -12.61582881
  H     12.08057585     11.05587116    -13.37711585
  O     15.33557825      9.36529259     -8.81981055
  H     18.28192262      9.32217453    -10.99498852
  H     10.95611847     11.23799614    -12.32921148
  O     13.64754627      7.24223911    -11.33324924
  H     18.04031935      8.25702124    -12.08931145
  H     17.59057201      6.34047907    -10.49317635
  O     16.10388330     10.61325205    -13.00310313
  H     10.74478937      6.54681317    -15.81382074
  H     17.73863572      7.36835378     -9.35465840
  O     15.94383100      6.67569250    -17.62070616
  H     11.51596651      7.18881630    -14.63505322
  H     12.13075122      7.51255983    -12.39810068
  O     14.76871987      6.54081125     -8.85920046
  H     14.83632855      9.70464611     -9.57554309
  H     11.47438026      8.80927535    -12.90962939
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  H     19.24779379      9.03436116    -13.50824822
  O     14.13382279      5.55984861    -15.65211095
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  H     20.46224715      9.21575530    -14.43107267
  O     16.69990910     10.79365130    -17.14363538
  H     13.82664165      8.19389195    -11.31872328
  H     18.42619341      6.12169169    -13.00389088
  O     15.35569625      8.58968933    -14.63814360
  H     15.76932212      9.92065244    -13.59743429
  H     16.91246640      6.28543825    -12.71499925
  O     11.69628066     10.68416022    -12.56218021
  H     16.90780402     10.25385775    -12.60794224
  H     17.06112690      9.38492904     -9.01534455
  O     17.39612584      6.48951615     -9.55916153
  H     16.41373637      6.13005974    -18.24755258
  H     18.46204107      9.69633639     -8.43600269
  O     11.49091332      7.85304912    -13.03641773
  H     16.61502962      7.21281623    -17.16718589
  H     14.04898447      9.28971736    -17.73475505
  O     19.62232988      8.76714023    -14.36093142
  H     15.70800099      6.43342276     -9.09359102
  H     15.09741839      8.33922828    -18.31326363
  O     17.80307990      6.46046015    -12.36511255
  H     14.58224926      5.91019269     -8.16909826
  H     14.75737880     10.31434931    -11.80572117
  O     18.01775009      9.27682300     -9.16757441
  H     17.40861448      9.28859876    -16.61141528
  H     13.21667865     10.31700634    -11.59284102
  O     14.75614432      9.23693063    -18.39295466
  H     18.35377478      8.48951805    -15.65082284
  H     15.92069988     13.30005615    -14.85651021
  O     14.05242462     10.01208187    -11.21726897
  H     14.66658261      5.93347880    -16.36504998
  H     15.82104967     11.88568934    -14.24269470
  O     15.56071942     12.42866276    -15.00521218
  H     13.25600438      5.95662943    -15.71369735
  H     13.87342764      8.96886658    -15.61965541
  O     13.09040969      9.17916905    -16.15157424
  H     15.99574489     10.39158327    -17.67577817
  H     12.48919632      8.43127161    -16.05802631
          69
 Energy    -247.94048911441132     
  O     20.71995576     12.45005784    -18.51295709
  H     21.02743985     13.31135325    -18.17709999
  H     18.90154825     12.85176110    -19.05804613
  O     15.76794066     17.49251490    -14.82169714
  H     21.35075651     12.17155889    -19.17143768
  H     15.48316311      9.78023651    -14.27288114
  O     22.02037699     14.94536190    -14.69958209
  H     15.28734729     18.31696258    -14.81800086
  H     16.14094887     10.15608939    -12.93709457
  O     15.39032003     13.02255707    -13.75238220
  H     16.02567802     17.33414737    -15.74684636
  H     21.19431839     16.71165652    -14.76730031
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  H     22.82555283     14.74720146    -14.22751444
  H     19.87878123     17.39968434    -14.36000728
  O     17.93788709     10.25916752    -12.16306319
  H     21.38027767     14.25472497    -14.46031542
  H     17.85701748     13.79819319    -11.95673773
  O     16.18982628      8.88244465    -15.79849796
  H     15.44826193     13.22535132    -14.69661751
  H     17.04501348     13.00289205    -12.99861625
  O     21.47754458     14.82465044    -17.50958485
  H     15.21922916     12.07459187    -13.65899283
  H     18.52427236      9.45188127    -13.78842660
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  H     16.56472008     10.43744935    -16.76459005
  H     19.15603053      9.72571942    -15.17669366
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  H     16.50796905     12.00287603    -16.80038577
  H     16.74943609     14.20408711    -19.08395166
  O     20.08060947     13.05071334    -14.23544931
  H     18.15403487      9.99867412    -11.27083482
  H     15.46947094     14.78314800    -19.72532022
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  H     17.96758963     11.22925509    -12.18526914
  H     17.39459892     17.21609136    -13.96516124
  O     15.34754578     10.29514340    -13.46790391
  H     15.98296368      8.00444868    -16.10686321
  H     18.04780559     16.47619638    -12.76119418
  O     20.66596900     17.50607992    -14.91172795
  H     17.08400033      8.84450605    -15.41199358
  H     16.35679766     16.40560749    -17.96706240
  O     17.87548382     13.00021264    -12.49810447
  H     21.78674090     14.87918129    -16.59778304
  H     17.57940029     17.17695270    -17.44512600
  O     18.65324144      9.07588833    -14.66847323
  H     20.82644450     15.53161686    -17.60728289
  H     16.53650455     15.55494477    -11.70841692
  O     15.99932113     14.80662095    -18.93283089
  H     18.96985236     15.94205969    -16.77674288
  H     17.30458348     15.82901748    -10.38960268
  O     18.23036459     16.86949293    -13.62279059
  H     19.86707507     17.16701462    -16.53895023
  H     20.09595018     11.55641615    -17.00434762
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  H     15.06816749     14.69349446    -13.06799169
  H     18.66744341     11.23856998    -16.52021280
  O     17.41103438     15.50006650    -11.27780497
  H     15.21926800     16.17833525    -13.49257872
  H     18.23672681     15.49180044    -14.83415020
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  H     18.93758329     14.16012713    -15.18371682
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  H     16.75386442     14.09536245    -16.06460585
  O     15.92838344     13.67534648    -16.35822372
  H     17.57914449     12.21393700    -18.61710043
  H     15.72405221     14.06647801    -17.21479478
          69
 Energy    -247.94046900486458     
  O     -5.76950138     -0.25658263      0.23493817
  H     -5.72866154     -0.47602924      1.17464999
  H     -1.02459559      0.01501552      3.07996088
  O     -5.87631069      0.34740864     -3.93351085
  H     -5.57506892      0.68880169      0.16385352
  H      0.53014071      3.30354314      1.92352703
  O     -5.35088064     -0.69638826      2.94774511
  H     -6.39747406      0.37089362     -4.73181674
  H      0.94449544      4.15886420      3.14048304
  O      1.02606348     -0.50607991      0.82194698
  H     -6.40238039     -0.12910651     -3.26800957
  H     -1.46159349      4.69859792      2.22777998
  O     -1.16994686     -0.19356825     -0.86384621
  H     -5.84531311     -1.03727501      3.68821120
  H     -2.04075195      4.98768398      0.84361329
  O     -3.42223791     -1.07082704     -3.47507683
  H     -5.03794960      0.18965476      3.20519792
  H     -4.02458153      2.12082988      0.19866321
  O     -3.50560507     -1.66377150     -0.75320121
  H      1.74661465     -1.12699260      0.87569702
  H     -5.13424078      3.06769553      0.66752016
  O     -1.69147713      1.30739293     -3.07529620
  H      0.45434447     -0.66694133      1.59676204
  H     -0.85398387      4.04644750     -1.30539796
  O     -4.33851496      2.34691622     -2.68231304
  H     -1.89339171     -0.81943806     -0.71759522
  H     -2.26089807      4.66170432     -1.51846810
  O      1.10491329      2.34310385      0.55135214
  H     -0.40510540     -0.44665420     -0.33411805
  H     -1.95968544      1.78615417      2.19958782
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  O     -0.69566249     -0.85640633      2.82428829
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  H     -3.79659670     -1.69560762      2.39159512
  O      0.18803364      3.78075162      2.70034426
  H     -4.27917373     -1.17275636     -0.44656147
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  O     -2.24708710      5.04270519      1.78747168
  H     -3.50835948     -1.60572422     -1.71990648
  H     -1.86902276      1.21524921      0.00001447
  O     -4.95048725      2.36731022      0.03193204
  H     -1.48611846      0.72699150     -2.32307396
  H     -2.02907236      2.77427234      0.03541176
  O     -1.63253791      4.37394217     -0.84028985
  H     -2.56253732      1.69361082     -2.91245636
  H     -3.91131882      4.52585642      2.05490775
  O     -1.69507878      1.74728982      3.13266070
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  H     -5.32364220      4.97292141      2.48644530
  O     -3.01972834     -2.13270287      2.02291252
  H     -4.62982905      2.38047426     -1.75976428
  H     -6.76961019     -0.76251150     -1.14469834
  O     -2.32225985      1.94623180      0.43878851
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  H     -7.49496445     -1.90441124     -1.87539311
  O     -4.83356094      4.22759469      2.14955893
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  O     -7.20052714     -1.00303606     -1.98134829
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  H     -4.66098277      2.59468661      3.17037732
  O     -4.42853906      1.76064864      3.59296027
  H      0.97242522      3.17902500     -2.90192901
  H     -4.09563370      5.54933811     -3.17079813
  O     -3.43919287      4.94620210     -2.83228033
  H     -1.47462246     -1.38318351      2.59316212
  H     -3.82621784      4.05830552     -2.89913523
          69
 Energy    -247.94044906470361     
  O     -0.90928580     -0.38617070      4.91455961
  H     -0.41511757      0.44317931      4.93767271
  H     -1.72167813      0.67203069      0.75296768
  O     -1.10751812      3.22585940      6.86116024
  H     -0.57807614     -0.88856432      4.15696087
  H      2.68163109     -0.50911598      2.87328196
  O     -5.42619088     -0.65795760      1.12690981
  H     -0.85376820      3.66521529      7.66824701
  H      3.47017717     -1.81288613      3.09777421
  O     -5.24812718     -1.62049544      3.72838061
  H     -1.71633633      2.50754154      7.11082757
  H      0.28929267      1.16389671      0.51512870
  O     -3.56580435     -3.62948659      4.81515016
  H     -5.53451380     -1.08659533      1.98853069
  H      1.30788671      2.09276951     -0.17547124
  O     -0.05773689     -1.62949118      2.59815731
  H     -5.58278752      0.27960554      1.28137635
  H     -0.13671403      3.03446675      1.86040112
  O     -2.26466229     -3.29292867      2.47888919
  H     -4.55228242     -0.94212275      3.71335028
  H     -1.62801405      2.83642943      2.14441667
  O     -2.81485220     -1.49630807      6.57694612
  H     -4.81797384     -2.42313301      4.04755283
  H     -2.07949004      3.96219041      5.39671377
  O     -2.88214232      1.27571836      7.45979173
  H     -3.06054431     -3.55845858      3.98426408
  H     -1.94680553      4.07956657      3.86485828
  O     -5.64080905      1.86619291      6.95423178
  H     -3.68551502     -4.56018075      4.98384792
  H      1.99696746      1.49654343      2.20523945
  O     -5.56369299     -0.74827162      6.38448509
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  H      1.83566305      1.53384302      3.73788913
  O     -1.11113846     -0.03079872      0.48177164
  H      0.90952072     -1.67183301      2.60528660
  H     -3.75279356      1.12539008      4.16545884
  O      2.66417889     -1.46995112      2.72227347
  H     -1.41286513     -2.84253778      2.56756294
  H     -2.51294073      0.15297448      4.24247149
  O      0.91204762      1.89186697      0.66965401
  H     -2.67099308     -2.91280536      1.69235790
  H     -3.48744486     -2.40180562     -0.63649219
  O     -0.83091069      3.26788410      2.48726547
  H     -3.05709443     -2.30134035      6.10077216
  H     -3.99218843     -1.42188849      0.44328621
  O     -2.57166834      4.17398077      4.59343454
  H     -2.04677956     -1.15194832      6.09610495
  H     -5.18327525      2.48181570      5.27138600
  O      2.42221129      1.23469803      3.03107249
  H     -3.81076813      1.52356961      7.37444874
  H     -4.08458712      3.26366340      4.47113630
  O     -3.31833233      0.36562376      3.75503700
  H     -2.83632099      0.32586899      7.30298308
  H     -6.38958491      2.78820161      1.55616323
  O     -3.20616704     -1.89917292      0.12415937
  H     -5.72536597      0.91121195      6.77238863
  H     -5.46510735      2.36607498      2.71764206
  O     -4.82307179      2.63927145      4.39036839
  H     -6.31241995      2.08818744      7.59282797
  H     -0.01926760      2.51852251      5.54060635
  O     -5.68131039      2.19210087      1.78570533
  H     -5.71982968     -1.03313240      5.47553349
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  O      0.33980637      2.08926375      4.75394912
  H     -4.65393624     -1.01630433      6.57112340
  H     -3.00433625      1.18077864      2.24343435
  O     -2.91992923      1.77531279      1.47841483
  H     -1.69153469     -0.75561071      0.21671049
  H     -3.81675204      2.07740422      1.30433720
          69
 Energy    -247.94044862431514     
  O     11.66993866     10.40067745    -11.50904051
  H     11.31370207     11.28498840    -11.53097226
  H     14.86504530      7.01408115    -14.17137906
  O     10.56415566      4.63744552     -9.95025689
  H     11.76008803     10.10964704    -12.43535405
  H     13.70036627      6.19627135    -12.80253150
  O     16.97785625      5.13292062    -12.73623304
  H     10.02866443      5.01485647    -10.65831917
  H     12.21500197      6.57682615    -12.63722982
  O     15.26402367      3.24930635    -10.20546105
  H     11.24843139      4.10483642    -10.37706669
  H     10.65337587      7.83354594     -9.67766564
  O     17.03664998     10.06122331    -11.03614892
  H     16.96831643      4.16888396    -12.76225300
  H     10.70064557      8.96223944    -10.74527282
  O     11.46694239      6.65930777     -8.37748395
  H     16.71805355      5.39479000    -11.83932524
  H     18.21627587      6.52266754    -12.90873931
  O     14.85312596      8.75163164    -13.72699417
  H     15.75578724      2.84227495    -10.92826147
  H     18.72660890      7.50272852    -11.84099515
  O     12.39003288      5.09192944    -15.42690711
  H     15.69400257      4.09721561    -10.03520760
  H     13.14029719      6.99520319     -9.10820804
  O     18.29790477      7.89660353    -10.00056899
  H     17.23337306     10.07543451    -11.98033969
  H     13.52185814      6.84710826    -10.59754623
  O     14.01829203      3.21586029    -13.81685776
  H     16.07371715      9.99779697    -10.96719223
  H     16.74583772      1.53769921    -13.04346338
  O     12.77647647      3.62879719    -11.34565255
  H     11.18308886      6.53960867     -7.47539835
  H     15.57103210      2.53384422    -13.18021382
  O     14.85683697      6.04561239    -14.21688005
  H     11.14815971      5.88522581     -8.87681110
  H     17.01950472      6.54306092     -9.98821533
  O     12.99373745      6.28031132    -12.15034609
  H     14.65251843      8.95333970    -12.80177638
  H     15.48141262      6.33845803     -9.91836578
  O     10.19220745      8.20155418    -10.44083754
  H     15.74042829      9.09589641    -13.89154982
  H     17.98736863      8.76938120    -13.53841860
  O     18.69208304      7.35575404    -12.79449299
  H     13.22972370      5.55426993    -15.30874058
  H     18.10388202     10.00993222    -14.45739121
  O     13.86116051      7.13429506     -9.73314838
  H     12.56613923      4.19326134    -15.13265001
  H      9.43695782      6.96273109    -11.39014820
  O     16.41770061      2.37615834    -12.72943501
  H     18.92072806      8.15385977     -9.32614849
  H      8.15918392      6.23464166    -11.87700778
  O     16.31418200      5.90386793    -10.15034100
  H     17.84933375      8.70981162    -10.29521741
  H     13.43182575      9.92930234    -11.13250964
  O     17.52627947      9.57417399    -13.83681165
  H     13.48879575      3.24484517    -13.00496119
  H     14.18999185      8.74230662    -10.48849601
  O      9.11198359      6.19737720    -11.90099422
  H     14.27321182      4.12683254    -14.00742731
  H     13.02201739      9.24849203    -14.10978762
  O     14.30119137      9.51774504    -11.05623744
  H     12.80011562      4.56957699    -11.57674943
  H     11.61575347      8.59620328    -14.07326036
  O     12.08354897      9.44002987    -13.99430780
  H     13.57921200      3.44668156    -10.83309654
  H     10.20059500      6.56332009    -13.37660186
  O     10.92619198      6.90777122    -13.91189928
  H     15.67124842      5.74315329    -13.78813732
  H     11.25111177      6.21046412    -14.49934661
          69
 Energy    -247.94039794471541     
  O     13.85190324     15.14006052    -10.37457752
  H     13.85168295     15.26959373    -11.33956786
  H     12.04196678     12.61654055    -13.64787710
  O     16.18304309      9.47632745    -10.87654632
  H     13.30540203     15.82982108    -10.00756869
  H     19.08592723     13.24900823    -14.26593319
  O     14.45224026      9.61149999    -15.03632988
  H     16.85649705      9.81306292    -11.48874300
  H     18.61681885     13.54608176    -12.84760835
  O     16.42325905      6.82194404    -11.89507317
  H     16.14560787     10.10361379    -10.14596001
  H     13.69565529     13.31089862    -10.33164319
  O     17.36814070      6.65107008    -14.44645850
  H     14.22574986      9.48877562    -14.10164193
  H     14.35222692     12.01443204     -9.77822493
  O     15.50579607     12.28339139    -12.65698712
  H     14.33372721     10.54683607    -15.22850619
  H     16.14288535     12.03474005    -16.22682202
  O     13.80584453      9.13667929    -12.38314030
  H     15.50089952      6.55173249    -11.98720463
  H     17.24720454     10.95729086    -16.18274848
  O     17.20945209      9.34706911    -15.18395971
  H     16.40890064      7.65825329    -11.41308423
  H     14.43930805      7.69305854    -15.32177250
  O     18.46532173     14.05040463    -15.94034356
  H     18.02114673      5.96002923    -14.51643523
  H     15.53423348      6.63828407    -15.05962345
  O     12.10179447     11.38304176    -12.43360000
  H     17.11402254      6.70429224    -13.50776531
  H     16.17011582     11.46222441     -8.00814394
  O     14.59143680     12.49878999    -15.20194613
  H     16.22529967     11.63858534    -12.61059686
  H     16.25468330     12.49004338     -9.15712826
  O     12.09528438     13.32832533    -14.31198377
  H     14.90776529     12.16721477    -11.91066126
  H     16.52150520     13.75586379    -12.33580976
  O     19.15469606     12.92719605    -13.35963150
  H     14.57907524      9.29494335    -11.82510767
  H     16.88498337     15.01669346    -13.08888625
  O     13.70962547     12.34730019    -10.41576542
  H     13.63884784      8.18572301    -12.36926897
  H     18.34816888     11.37961381    -12.94862639
  O     17.03699514     11.83336917    -16.53021554
  H     16.24260196      9.41269306    -15.16319076
  H     17.63885880     10.16849485    -13.62477020
  O     14.57857631      6.75520788    -15.13784367
  H     17.41714650      8.41757485    -15.02887680
  H     14.48858721     15.45234081    -13.68591215
  O     15.98557804     11.58014876     -8.93670316
  H     19.04042981     14.30793006    -16.65599175
  H     13.13173582     14.73534564    -13.50820756
  O     17.10489229     14.53005560    -12.28828404
  H     18.01327929     13.23475358    -16.22379223
  H     13.04625184      5.64015748    -12.52140557
  O     17.74108416     10.64232970    -12.78861862
  H     12.52955361     10.52067372    -12.50221163
  H     13.92943001      6.39842520    -13.54402360
  O     13.73698814     15.36026589    -13.08977563
  H     12.48864003     11.76640639    -11.63339160
  H     16.90084312     14.38660093    -10.44049372
  O     13.68571849      6.34200907    -12.60229272
  H     13.67790307     12.79582737    -15.10244231
  H     15.58931791     14.61761810     -9.70705085
  O     16.44710422     14.18547572     -9.61084349
  H     14.94069526     12.40452266    -14.29826364
  H     16.87928512     14.89574541    -15.29026183
  O     16.01360813     15.05307622    -14.88951438
  H     11.21683835     13.44557314    -14.66303723
  H     15.50554286     14.25870887    -15.09502864
          69
 Energy    -247.94034844331446     
  O     16.32026187      9.38701761    -12.19038048
  H     16.61639031     10.27722719    -11.96874032
  H     13.16042519      9.93437726     -9.71603699
  O     15.17404556      5.45820668     -6.81298499
  H     17.12130713      8.87793660    -12.38329380
  H     13.24253868      9.59772984     -7.27099370
  O     17.66618823     11.69724344    -11.28442653
  H     15.45115007      5.46220903     -7.74453450
  H     12.60029582      9.82234440     -5.88199374
  O     12.63283790      6.60556557     -7.41081488
  H     15.46153299      4.62703250     -6.44388739
  H     18.44794181      3.17856245    -12.75002449
  O     14.24376091      7.75721069    -13.03113980
  H     18.49141780     11.20726972    -11.14027040
  H     17.14865300      4.01715578    -12.78648687
  O     18.70941699      8.04306703    -12.46906102
  H     17.90316032     12.51481815    -11.71642688
  H     15.12089686      5.43436864    -10.12289526
  O     19.95794563     10.12348960    -10.95903333
  H     13.43228589      6.13211122     -7.15242109
  H     15.71941884      6.68410551     -9.47175499
  O     18.32235196      6.00724105    -10.59897425
  H     12.69801909      7.47819048     -7.00228206
  H     18.36401690      6.96899337    -13.94493459
  O     11.63397109      6.46110067     -9.91394685
  H     14.54202371      7.29784133    -13.82617373
  H     18.19411177      5.44578450    -13.98442022
  O     15.97465255     11.56295743     -8.94464645
  H     14.94420721      8.38518429    -12.80382181
  H     15.27945565      6.22466682    -16.07056923
  O     12.48519322      8.95331619    -11.08288130
  H     19.26683507      8.72953122    -12.08667869
  H     16.36666877      6.30628566    -14.97293829
  O     13.58531499     10.16266833     -8.87584215
  H     18.59363086      7.35909524    -11.79128943
  H     15.84190311      8.72623295    -10.55729291
  O     13.10166411      9.19489855     -6.39570845
  H     20.88371663     10.34993729    -10.93374576
  H     14.82178104      8.86505491     -9.39294209
  O     18.11090680      4.06361193    -12.63933822
  H     19.80711638      9.48298891    -10.23814454
  H     14.82810682      8.52471026     -5.90214645
  O     15.77854467      5.71340413     -9.47329304
  H     18.39222620      5.29036277    -11.24312668
  H     15.58154463      7.19352220     -6.05883883
  O     18.05268481      6.24596676    -14.50560283
  H     17.47115519      5.87227899    -10.16020881
  H     13.00261234      5.69207461    -10.91293746
  O     15.40630692      6.25140166    -15.12594030
  H     10.72656294      6.17438565     -9.85356127
  H     13.98358350      6.28951669    -11.94264233
  O     15.59625388      8.37338449     -9.69310883
  H     11.97540981      6.50144724     -9.00268434
  H     18.75988117      8.59067469     -8.50184154
  O     15.69912086      8.11839567     -5.81090221
  H     16.48419413     10.96845226     -8.37738362
  H     19.13031956      7.40659276     -9.44579998
  O     13.80311912      5.49701072    -11.41513247
  H     16.52942957     11.71586745     -9.71714011
  H     16.85663668      8.96511595     -6.92606296
  O     19.43481268      8.25742893     -9.11148464
  H     12.98112680      8.64421778    -11.84996993
  H     16.74296745      8.98740900     -8.45786968
  O     17.27884547      9.31979457     -7.72149689
  H     12.10849548      8.15729993    -10.68611894
  H     14.81032503      4.42032148    -12.54086639
  O     15.45265454      4.11953028    -13.19746192
  H     14.31596289     10.78473079     -9.01029539
  H     15.35545396      4.72496778    -13.94281932
          69
 Energy    -247.94032082816904     
  O     -7.89242268     -3.21977872      5.81283616
  H     -7.28001247     -2.65824390      6.30044475
  H     -6.07136637     -1.75766617     -0.01322179
  O     -8.93501366     -2.53071071      2.22876982
  H     -8.73221366     -2.73718638      5.79536619
  H     -3.90926099      0.96595737      2.79042638
  O     -7.29611921     -4.42449436      3.50495168
  H     -8.46101833     -1.76343910      2.58857451
  H     -3.44470201      2.03077854      3.83280158
  O     -4.41134455      0.75179968      0.99823281
  H     -8.48709247     -3.30747425      2.58530354
  H     -6.53507138     -1.08908158      3.14997524
  O     -7.96566904      0.48927985      5.64708471
  H     -7.50410629     -4.03445017      4.37627305
  H     -7.20077538      0.19670943      2.54500430
  O     -4.80525660      5.04632736      1.98366872
  H     -7.27346844     -5.36950381      3.62321500
  H     -5.85763851     -1.23734589      7.91432508
  O     -9.14051265      0.92431653     -0.24991655
  H     -4.48801827     -0.14655194      0.66009951
  H     -5.50397037     -1.21015516      6.40687507
  O    -10.08104498     -1.52305757      5.69408830
  H     -5.32139141      1.08204886      1.08119850
  H     -9.03015962      1.87044424      4.69794417
  O     -4.31244497     -1.20618304      5.15933152
  H     -7.46035991     -0.04616265      6.27411073
  H     -8.76339074      3.01003515      3.69217865
  O     -3.38457610      3.26569476      0.45777151
  H     -7.77059411      0.12135902      4.76781280
  H    -10.97740907      0.10657474      2.38909545
  O    -11.35559513     -1.60339510      3.12190333
  H     -4.32319440      4.44576657      1.38982310
  H    -10.26467991      1.45009831      2.69498522
  O     -5.11890436     -1.87285394      0.15801886
  H     -4.67335784      5.92923222      1.64715049
  H     -5.18613946     -2.39594622      1.95368817
  O     -3.75789112      1.12105920      3.73081605
  H     -9.61427865      1.37742378     -0.94128706
  H     -5.92669278     -3.24652022      3.03808550
  O     -7.30790058     -0.51101554      3.19386082
  H     -9.72750869      0.90453802      0.53013764
  H     -8.25566812     -0.75600072     -0.32787993
  O     -6.24286506     -1.22303956      7.04255478
  H    -10.60680958     -1.47758040      4.88683428
  H     -8.26273431     -2.02455197      0.54269047
  O     -9.43787000      2.39042106      3.99644128
  H     -9.56576230     -0.70941652      5.72987306
  H     -3.89913463      4.35315136      3.55368792
  O    -10.60626997      0.89477925      1.97871335
  H     -3.98139060     -0.39214639      4.75709956
  H     -4.29057078      3.63815056      4.85273051
  O     -5.33255713     -2.49641729      2.90231906
  H     -4.54305223     -1.78028415      4.41701784
  H     -5.25361973      1.79810898      4.64586754
  O     -7.79401835     -1.59053550     -0.18202434
  H     -3.68733836      2.35027267      0.56284437
  H     -6.57706170      1.77997856      5.44814302
  O     -3.53518032      3.84538900      4.28922058
  H     -2.44517999      3.21316653      0.29633197
  H     -7.70525188      1.45961139      0.74728018
  O     -5.89125642      2.36339853      5.10556528
  H    -10.56530636     -2.02993277      2.74869660
  H     -7.09753830      2.36351485      1.88404381
  O     -6.96748166      1.56092469      1.36103753
  H    -12.09907158     -2.16249649      2.91028075
  H     -6.41182881      4.31293974      2.65191891
  O     -7.08775495      3.74566139      3.04205511
  H     -4.77115055     -2.38808408     -0.56510568
  H     -6.67107738      3.32090349      3.80872382
          69
 Energy    -247.94025657724040     
  O     11.00718543      4.11661011    -12.91722699
  H     10.83322553      3.78478386    -12.02736730
  H     18.11475445      5.90317937    -13.71131134
  O     17.15653375      3.32324295    -11.20031211
  H     11.00645396      5.07586835    -12.82195854
  H     11.82608981     10.32908951    -13.37765946
  O     14.71440168      7.95533314    -10.53613544
  H     16.41040797      2.77565756    -11.46853943
  H     13.11939006      9.57962236    -13.01574536
  O     17.48252121      4.93635586     -9.05029998
  H     17.37752879      3.89336316    -11.94871590
  H     13.77252481      4.92950479    -11.18166161
  O     13.56669258      3.48826348    -10.05356942
  H     14.21375468      7.98357730     -9.71424888
  H     14.31156332      5.41910030    -12.56815431
  O     14.82934442      1.74799535    -11.83536575
  H     14.46361646      7.11840284    -10.96218921
  H     13.97594804      3.61073649    -14.08035752
  O     14.89814480      9.18457937    -13.00359666
  H     18.19831827      4.60780007     -8.51263195
  H     12.55023142      3.29371208    -13.54422873
  O     16.80487619      7.51090231    -16.78379413
  H     17.36063730      4.29579305     -9.77469883
  H     13.75880766      6.57832718     -8.16451804
  O     10.77345616      3.57119254    -10.10626757
  H     13.96303241      2.78310560    -10.58086507
  H     13.09917592      7.73905777     -7.37922875
  O     17.64751388      8.98428113    -12.99801602
  H     12.60821439      3.36785375    -10.04928063
  H     11.02639806      6.63486026    -10.60315685
  O     18.76776183      7.14976390    -14.93639456
  H     14.88450986      0.80373322    -11.95350503
  H     11.68844691      6.66082492     -9.20525604
  O     17.62239350      5.41778166    -13.03802260
  H     14.31073944      2.09579393    -12.58380897
  H     17.51761897      6.46678139    -10.14488112
  O     12.15310532      9.54781004    -12.93862415
  H     15.85590814      9.27289943    -13.11258021
  H     16.47415307      7.48410684    -10.64867722
  O     13.87180223      5.69900315    -11.75542013
  H     14.77609341      8.84171659    -12.10574825
  H     15.70792737      5.14387012     -8.40302428
  O     13.39136423      2.89205303    -13.80177750
  H     16.58666066      7.52087391    -17.71188930
  H     14.35022900      4.50614286     -8.75521232
  O     13.17951252      7.35866161     -8.24970784
  H     15.95946989      7.56235037    -16.30843072
  H     11.65666303      7.88171034    -12.55996787
  O     10.98627071      6.24578419     -9.72133198
  H     10.79220923      4.52373023     -9.89863190
  H     12.35620362      6.52005965    -12.21345073
  O     17.35854719      7.13281766    -10.82507384
  H     10.05486973      3.19371883     -9.60661249
  H     14.93208304      5.87311750    -14.60707517
  O     14.76668668      5.17863485     -8.19778514
  H     17.72177396      8.46355091    -12.18755121
  H     16.03003295      5.10989355    -13.81707414
  O     11.51037991      6.92875408    -12.46069910
  H     18.08697824      8.46463736    -13.68067149
  H     11.68224145      6.75123336    -14.33840513
  O     15.11995034      5.04998283    -14.13848467
  H     18.10991324      7.26856133    -15.64342233
  H     11.65536095      5.67565324    -15.42545161
  O     11.94200974      6.57171351    -15.25241377
  H     19.62663280      7.24735283    -15.33910161
  H     13.59406647      7.30108964    -15.35559488
  O     14.52568480      7.54351664    -15.25719317
  H     17.50566522      6.02622560    -12.29357099
  H     14.61128626      8.12373150    -14.48862058
          69
 Energy    -247.94022624496759     
  O     10.92609413     12.37565212    -10.11493081
  H     11.23763047     12.40825302    -11.03652292
  H     15.94963569     11.98612237    -14.59094538
  O     14.01166658      9.42682802    -15.27525525
  H     10.27356625     13.06498725    -10.02074601
  H     16.40766295      9.58772613     -9.13704968
  O     10.55098530      9.53814732    -10.48283689
  H     14.79010064      9.62744577    -14.73557312
  H     15.88195519      8.68284359    -10.27724901
  O     13.14920758      7.41089261    -13.35526440
  H     14.10342233      9.98410711    -16.05737958
  H     14.18902603      9.33482506    -11.27698395
  O     14.44830806     11.56458857    -17.13747722
  H     10.53411048     10.49124615    -10.34141179
  H     13.89413213      7.90490496    -11.78535197
  O     10.44799697      8.30666508    -12.90848006
  H     11.19244061      9.19619203     -9.84735409
  H     15.45927831     14.98325516    -12.45237227
  O     12.70825929      8.83269407     -8.79021997
  H     13.44771740      7.92610918    -14.11379295
  H     13.98085603     14.76841121    -12.77916364
  O     14.23181923     11.01352266    -11.85584439
  H     12.21318691      7.61883192    -13.24003927
  H     17.69572857      9.70062387    -11.15417565
  O     13.20387850     11.61597671     -8.61838631
  H     14.96137355     12.07551580    -16.48948053
  H     19.05224566      9.64798159    -11.89635160
  O     17.67833215     12.84583772    -11.38668587
  H     14.90486910     11.64554638    -17.97141711
  H     12.66603470     13.64497271    -15.05815480
  O     11.87118096     12.25557384    -12.65446437
  H     10.46497356      8.73629332    -12.03525617
  H     14.11310647     13.57398389    -14.53555570
  O     15.76204457     12.82452077    -15.03891295
  H      9.66626483      7.76088883    -12.93025972
  H     14.83146585     13.74007801    -10.70899919
  O     16.68131896      9.08838357     -9.91735175
  H     13.25429283      8.58029810     -9.55561231
  H     14.46187048     12.71796307     -9.56232806
  O     14.19054785      8.40196907    -11.01124705
  H     12.94034695      8.24271544     -8.07774191
  H     15.43001984     10.63744204    -13.05807756
  O     14.58536693     14.93179158    -12.04476231
  H     14.63570083     11.65524347    -11.25704889
  H     16.90713618     10.21883676    -13.23063358
  O     18.20612135     10.08657150    -11.89006827
  H     13.39024496     11.38682542    -12.14238308
  H     12.66629763     12.23461475    -16.75293369
  O     13.24085556     13.94026878    -14.33656467
  H     13.04638000     10.66117868     -8.63521307
  H     11.52590025     11.80835654    -15.81689965
  O     15.15554533     13.00127909    -10.16846159
  H     12.41639135     11.99793178     -9.02688372
  H     16.27681008     11.30910780     -7.32819010
  O     16.10162123     10.41307205    -13.72284593
  H     17.91752069     11.92240215    -11.52688879
  H     14.89922606     11.05044939     -7.93886483
  O     11.87517205     12.56342499    -16.30768759
  H     16.88997299     12.85137824    -10.82628491
  H     17.82974027     15.25433177    -13.42998984
  O     15.74490055     10.62786358     -7.73665987
  H     11.60304458     11.57442545    -13.28726052
  H     17.40895950     13.97577404    -12.66452721
  O     17.13901978     14.60089188    -13.36252369
  H     12.32126082     12.94196518    -13.16605528
  H     10.98622678      9.61808973    -14.09138321
  O     11.43892855     10.32762925    -14.56438092
  H     16.29445566     13.49516622    -14.59276274
  H     12.32306359      9.99869101    -14.78164868
          69
 Energy    -247.94021744831093     
  O     15.61457932     11.50457339    -16.52214890
  H     14.84324309     11.03002847    -16.17579831
  H     19.78507831      7.01070122    -16.21851214
  O     14.19045889      5.39978082    -15.96235867
  H     15.88047823     11.04428740    -17.32534841
  H     18.18968405      7.48909486    -17.94499840
  O     18.32525265      7.94634085    -11.79587713
  H     14.85894498      4.81119038    -16.33367541
  H     17.94908240      8.14250066    -16.58164651
  O     16.99717880      6.23544915    -18.57215572
  H     14.18268418      6.17633646    -16.53424870
  H     17.00977717      6.83171853    -15.08290676
  O     13.97384293      8.74324436    -10.15942407
  H     19.17448114      8.04351781    -12.24078984
  H     16.75676625      8.30356115    -14.57609576
  O     14.39568047      6.14040311    -13.30476243
  H     17.72424757      8.56509475    -12.24186421
  H     13.75315025      9.09810916    -16.13015696
  O     16.65409535      9.51969365    -13.23340645
  H     16.91478586      5.37242039    -18.14631616
  H     13.60139481      9.56615840    -14.66685333
  O     17.74177300      5.10169777    -14.84308630
  H     16.17589423      6.68967438    -18.35330230
  H     14.98041216      5.27206306     -9.99898207
  O     13.50165010      5.94110496    -10.64954178
  H     13.66597783      9.29888205     -9.44836084
  H     15.81175412      4.32019761     -9.10339855
  O     19.60004989     10.04899815    -15.42352060
  H     14.89200072      8.49843286     -9.94685776
  H     21.45748806      8.68791030    -13.24477709
  O     16.47453934      3.96342015    -16.94379309
  H     14.27845333      5.81732915    -14.20920960
  H     20.24568849      9.06123466    -14.13061737
  O     20.02882519      6.45494638    -15.47203774
  H     15.29372196      5.92562355    -13.02323627
  H     17.49345641      6.36515296    -12.08853009
  O     18.49104628      8.22190934    -17.38552084
  H     16.86491607     10.36742207    -13.64251720
  H     16.69093069      5.22693225    -11.40556749
  O     16.75899868      7.72500176    -15.34775198
  H     15.69567741      9.43690138    -13.13147027
  H     16.38314784      6.88502420     -9.51064928
  O     13.59526232      9.87409786    -15.58255813
  H     18.62447019      5.46779239    -15.00546093
  H     17.23063881      7.95469076    -10.22491790
  O     15.88664016      5.03118428     -9.73337874
  H     17.56857272      5.09839424    -13.89213103
  H     16.63564071      9.90960455    -19.57572270
  O     20.57167654      8.41843837    -13.47528547
  H     13.62279066      5.91048602    -11.60920470
  H     17.25452638      9.33735384    -18.28431772
  O     16.99267111      5.55439285    -12.26126681
  H     13.47937237      6.87835923    -10.42099685
  H     13.86805810      8.94069289    -12.01356268
  O     16.49463653      7.83882494     -9.61134333
  H     19.33532404      9.60018899    -16.23359807
  H     14.09219308      7.91097266    -13.14720301
  O     16.47544034      9.78843328    -18.64224935
  H     18.90547039     10.68637449    -15.21231288
  H     16.80485973     11.74308744    -15.34532532
  O     13.99734776      8.85901481    -12.96668146
  H     16.64086452      3.02594542    -16.99501409
  H     17.56934715     12.69532776    -14.39111238
  O     17.48728285     11.78163181    -14.64951057
  H     16.95925678      4.29431938    -16.16638084
  H     15.16467191      8.55672652    -17.86864455
  O     14.83875628      7.84080152    -17.31073551
  H     20.29543360      7.05769674    -14.76562254
  H     15.46220249      7.78624392    -16.56528297
          69
 Energy    -247.94004301744553     
  O     17.88042546     11.15288448    -16.12274970
  H     17.48116866     10.29265412    -15.90750358
  H     18.37959991      4.74682171    -13.68701570
  O     15.39146497      5.65531997    -15.20760423
  H     18.82638760     10.97228200    -16.23743953
  H     20.47486446      9.75479169    -17.22928541
  O     18.29459451     12.41363718    -10.64568004
  H     16.15758281      5.58098947    -14.63007987
  H     20.33694947      9.31604173    -15.76340041
  O     19.48738639      7.74177067    -14.73251028
  H     15.74594454      5.88973450    -16.07916128
  H     16.36411159      8.63607706    -14.73452932
  O     15.36179551      8.70206340    -19.08709108
  H     18.91838217     11.76767043    -10.29130407
  H     16.73947254      8.03534565    -16.13220301
  O     17.24645095      9.13099498     -9.42846301
  H     18.31919430     12.30009954    -11.60530660
  H     15.01094928     11.65895086    -14.63476195
  O     15.21900139      8.67440632    -13.29837567
  H     19.65690352      8.17388777    -13.88326987
  H     15.96598435     11.70263378    -15.84191842
  O     18.11854500     11.47064582    -13.30830701
  H     18.62936486      8.08865630    -15.03377349
  H     17.34585931      6.69842960    -12.21870994
  O     13.34212758      7.40915481    -14.89288706
  H     14.80653812      8.97104701    -18.33112000
  H     16.36475734      7.89121997    -12.22788292
  O     19.30143675      6.73342570    -17.46199871
  H     14.79130872      8.66721805    -19.84984771
  H     13.66962263      8.74517872    -16.24961371
  O     16.54743045      6.74944328    -17.45196048
  H     17.09092585      8.46734340    -10.11343606
  H     14.25756125     10.17182726    -16.44545066
  O     17.92199037      5.58541717    -13.68118413
  H     16.62385991      9.85086729     -9.58801227
  H     20.32789006      9.95598476     -9.00757295
  O     20.41318341     10.09328708    -16.32568811
  H     14.42775781      8.33836542    -13.73644484
  H     18.88768508      9.73166147     -9.53452021
  O     17.02141561      8.64772294    -15.44089082
  H     15.12052926      9.62047692    -13.12435408
  H     18.53230735      8.56451468    -12.10325938
  O     15.04211208     11.58173432    -15.59622412
  H     18.55917488     10.64867460    -13.05202793
  H     19.66127121      9.43648467    -11.50529723
  O     17.09807454      7.49271134    -11.73277615
  H     18.14435093     11.52088304    -14.27020531
  H     16.66525940     11.95698871    -10.15490751
  O     13.95010302      9.38234564    -16.91458416
  H     12.50571661      6.96457655    -14.78576871
  H     15.38236713     12.10947580     -9.30308196
  O     19.75764191     10.11344202     -9.75480342
  H     14.01967802      6.71659388    -15.00032538
  H     19.26183499      9.44952436    -18.99933064
  O     19.30554774      9.09997292    -12.33677857
  H     19.57701994      6.95121804    -16.56508738
  H     20.58695045      9.16599729    -19.74956050
  O     15.78986288     11.56837914     -9.97457966
  H     19.64949049      7.43834176    -18.02489630
  H     15.32102028     11.47701202    -11.80821068
  O     20.12622762      9.00450322    -18.93099630
  H     17.50472664      6.67112270    -17.58110999
  H     16.34079025     11.42915710    -12.96071116
  O     15.39355802     11.36340705    -12.76321335
  H     16.18344842      7.31458759    -18.14377759
  H     17.65338964     10.71234175    -18.04299695
  O     17.72192376     10.24432192    -18.88234649
  H     18.52508462      6.22755471    -14.08325263
  H     16.89292398      9.76312218    -18.99931055
          69
 Energy    -247.93997377459917     
  O     17.82063739      9.37795573    -10.77041369
  H     18.60755088      8.82801394    -10.65040290
  H     13.86507758      9.95854793    -10.41539614
  O     13.51478976      5.74430006     -7.79113501
  H     17.99890980     10.27027000    -10.44950077
  H     18.23422315      4.72107989    -11.25070926
  O     18.02781729     11.91329174     -9.62986508
  H     12.95363357      6.39299571     -8.23053942
  H     18.20915084      3.62132974    -12.33322451
  O     12.05228896      7.66837521     -9.34106262
  H     14.20511181      5.52547226     -8.43192572
  H     15.48974438      5.70447184    -10.61163063
  O     16.31687451      8.70641287    -12.94678066
  H     18.13216987     12.80289132     -9.95528986
  H     15.72084030      6.59286743     -9.37288354
  O     19.83348475      7.55275353    -10.36349331
  H     17.17137942     11.87829390     -9.16491825
  H     19.15024137      5.95147491    -12.90608756
  O     20.88827046      8.43303238     -7.91836111
  H     11.09959536      7.61959074     -9.35547840
  H     19.88298153      7.11140681    -12.21858488
  O     18.34258911      5.28848539     -9.55033002
  H     12.35880580      7.39219150    -10.22358836
  H     16.87409899      9.45092437     -5.97852561
  O     13.01650587      7.15933556    -11.83605193
  H     16.90615557      8.62706981    -13.71061187
  H     16.76190532     10.64112340     -4.99833278
  O     15.73037544     11.62761635     -8.23254727
  H     16.86630729      8.96439120    -12.19134959
  H     18.62800416      8.29069773    -15.70554028
  O     13.94119490      9.83001359    -12.29043092
  H     20.31934336      7.84949065     -9.58367102
  H     18.79831626      7.77248318    -14.26594656
  O     13.82528083      9.86542660     -9.45365099
  H     19.31972904      6.77876747    -10.09141245
  H     15.25463937      8.80836952     -9.06795726
  O     18.05724660      4.55285636    -12.19182364
  H     20.34476439      9.21848576     -7.72892821
  H     16.71935301      8.64638767     -9.54680318
  O     15.60353774      5.67105278     -9.65341859
  H     21.76117552      8.61453567     -7.58077860
  H     18.57089892     10.55489041     -6.84723095
  O     19.64070439      6.76297180    -13.08568174
  H     17.37670489      5.34047174     -9.50843753
  H     19.00360663     11.11034131     -8.21184783
  O     16.92602867     10.42015082     -5.91144498
  H     18.66465262      5.49211861     -8.65932128
  H     14.25897574      6.02088212     -6.21821274
  O     18.22461315      8.30666045    -14.84264692
  H     13.23237806      8.06274911    -12.10065164
  H     14.63943233      5.43879152     -4.84700680
  O     16.05138035      8.27495962     -8.95606501
  H     13.77087926      6.62165894    -12.10438355
  H     16.37909214      5.47385292    -12.50874760
  O     19.31374047     10.58868070     -7.46221923
  H     16.01067120     11.21442314     -7.40556882
  H     15.87228167      6.92927379    -12.63597012
  O     14.76161854      6.20198153     -5.40529733
  H     14.98647966     11.11365354     -8.56935614
  H     19.78236516      6.98721771     -7.28672100
  O     15.59299234      6.02666930    -12.42558773
  H     14.79995074      9.47936695    -12.58590740
  H     18.35363626      6.75917801     -6.75743995
  O     19.11875590      6.30423321     -7.13447852
  H     13.65960065     10.45949034    -12.94919916
  H     16.54287641      7.90459186     -7.28355926
  O     16.80440429      7.74551104     -6.36379818
  H     13.14039075      9.20744340     -9.27498577
  H     16.11600685      7.19926204     -5.95652010
          69
 Energy    -247.93971156483065     
  O     11.57040585     10.64705621    -15.00962686
  H     11.90991052     11.51563458    -14.76519731
  H     16.31908662      6.79600651    -14.41713681
  O     16.21472706      7.62670494    -12.64716844
  H     12.26044527     10.22073221    -15.53626441
  H     18.71318348      8.71550456    -14.51119489
  O     16.51986409     11.35302798    -10.94640337
  H     16.45093689      7.99498337    -11.78370994
  H     17.94444614      8.39709780    -13.22137104
  O     17.00815008     11.89950728    -14.95320084
  H     15.36326364      7.18533969    -12.50336409
  H     15.57771814     12.77410419    -15.72423109
  O     13.73210500      6.59330783    -16.41324580
  H     17.22218647     11.55300953    -11.57706978
  H     14.70571846     12.39494288    -16.93149171
  O     14.07491964      8.29713966     -9.08095349
  H     15.67681724     11.55349381    -11.37383063
  H     15.61454844      9.06564423    -13.71504061
  O     13.73085260      6.68885733    -12.06552703
  H     16.44133614     11.15722927    -14.68763265
  H     14.75131424      9.62349641    -14.90562478
  O     14.06431773     11.47416936    -12.34216355
  H     17.66674855     11.98515801    -14.25596394
  H     10.90215687      9.53453244    -13.89685111
  O     17.47096616     10.52316931    -17.34146904
  H     13.44295496      5.93217471    -17.03611482
  H      9.65963893      8.94177630    -13.18670892
  O     13.72749427      5.61086249     -9.54465443
  H     13.10383109      6.57089966    -15.66727776
  H     12.66505142      6.49052154    -13.51571122
  O     18.48177510      8.09110592    -16.29371803
  H     13.49691785      8.70561198     -9.73922863
  H     11.49346044      7.33946962    -14.02867323
  O     16.38528842      6.65367361    -15.36790873
  H     14.97492829      8.48985660     -9.37087196
  H     19.60869648     11.79983101    -12.54355477
  O     18.66300724      8.93400117    -13.57189054
  H     13.39895344      7.56945597    -11.83283582
  H     18.75633262     10.60382023    -13.03354924
  O     14.73395369     12.96714618    -16.15730699
  H     13.71549855      6.16149810    -11.25420404
  H     16.64537421      9.73777386    -10.38471220
  O     15.31864305      9.86610145    -14.16125542
  H     14.49598296     10.89806798    -12.99353028
  H     17.44241648      8.68538245     -9.57239893
  O     10.60681129      8.86107316    -13.25645232
  H     13.59373350     12.13977442    -12.85651035
  H     14.95967182     11.12890607    -19.18264195
  O     12.09917871      6.63602311    -14.28786904
  H     17.45751892     11.07988145    -16.55029312
  H     15.89839412     10.77506646    -18.00267253
  O     18.71929355     11.54073256    -12.76890326
  H     17.83883536      9.67677440    -17.06093087
  H     13.12641423     10.03796599    -11.65844389
  O     16.70499764      8.78951059    -10.16811357
  H     13.22374524      5.17151882     -8.86507375
  H     11.90751351      9.11990019    -11.93931896
  O     14.97088048     10.95104718    -18.24649938
  H     13.84137879      6.52951585     -9.24449647
  H     13.47888470     13.10772953    -14.96673502
  O     12.70247402      9.20911550    -11.39824972
  H     17.71618667      7.54642122    -16.03699191
  H     12.42259069     13.99078089    -14.26331997
  O     12.79679892     13.11403405    -14.27106418
  H     19.11430494      7.50145492    -16.69636224
  H     14.08747671      9.85098327    -17.08781584
  O     13.68462822      9.38516475    -16.34306236
  H     15.48477738      6.58861192    -15.70851650
  H     13.69671016      8.43691454    -16.52220034
          69
 Energy    -247.93943968335316     
  O     16.99085861     11.55219927    -14.61503018
  H     16.10737393     11.93490499    -14.56727555
  H     12.00748126      7.78778914     -9.70666691
  O     15.63324804      6.70970468    -11.62485281
  H     17.28400043     11.43040242    -13.70162479
  H     13.91509572     12.10090652    -11.04876638
  O     11.74473019      8.27016866    -13.20960333
  H     14.71031863      6.42521538    -11.65098828
  H     15.06490670     13.09816081    -11.30874852
  O     13.55487254     10.49935325    -10.10331599
  H     16.02706964      6.42515032    -12.45903267
  H     15.42323305      8.49904740    -11.82284381
  O     19.15827896      8.73499140    -11.28791980
  H     12.41681331      8.83113331    -13.62088970
  H     14.66802015      9.78706307    -11.33630520
  O     13.34987906      6.02318944    -16.44418410
  H     11.32819326      7.75715121    -13.91615401
  H     17.41586930     10.14840386    -15.51294979
  O     16.41956956      5.93336546    -14.17542439
  H     13.95283660      9.99176600     -9.38272466
  H     18.24708597      9.55063150    -16.67314851
  O     13.82832485      9.74886674    -14.28191101
  H     12.67839004     10.12761894    -10.26803310
  H     17.97316106      6.94496973    -13.85377806
  O     14.06526152      4.49375435    -14.05436149
  H     20.07639202      8.55056273    -11.10812721
  H     18.34768589      8.29785131    -14.47245070
  O     14.75818894      8.71537875     -8.30992662
  H     18.95943227      8.32997525    -12.15153398
  H     10.22676772      9.46834223    -10.64929711
  O     17.02109734      7.83229914     -9.53303218
  H     13.56668348      5.61044257    -17.27708365
  H     11.28236738      8.88399788    -11.61695981
  O     12.59745514      7.08782213     -9.39946620
  H     14.02172891      6.70879285    -16.29448765
  H     12.78923373      6.21965767    -10.98202623
  O     14.21181349     12.79358400    -11.65072224
  H     16.04067475      6.63182554    -14.72631047
  H     12.55554971      6.76747855    -12.40761074
  O     15.25940942      9.43170881    -12.01362419
  H     15.73329631      5.25238981    -14.11805538
  H     10.37155810      5.85165451    -15.24524654
  O     17.65720714      9.31730303    -15.96133331
  H     14.38551351      9.61363614    -13.49732154
  H     11.70248204      6.43850958    -15.73980604
  O     18.54930808      7.71092119    -13.73442483
  H     13.85051533     10.69752325    -14.45391504
  H     17.15842994     12.51831278    -11.15159116
  O     11.13900575      9.19636623    -10.70708850
  H     13.60375420      4.88746546    -13.30128935
  H     17.50386997     13.98450012    -10.84562496
  O     12.95508397      6.03641066    -11.91912950
  H     13.70318143      4.91459681    -14.84230283
  H     14.69271336      8.57666055    -15.32204488
  O     10.88902607      6.65414224    -15.25923361
  H     15.60246310      8.43678692     -8.70627645
  H     16.06644536      8.37540389    -16.00359465
  O     16.79443806     13.34846780    -10.80371882
  H     14.90144713      8.75131820     -7.36758750
  H     13.91547816     13.28013536    -14.73106906
  O     15.22926382      7.93454474    -15.81015937
  H     16.58397555      7.26701629    -10.18798623
  H     14.23180851     12.62793606    -13.36489146
  O     14.28752771     12.49974763    -14.33012095
  H     17.78528353      8.19713385     -9.99117825
  H     16.73267196     10.44115836    -11.95644498
  O     17.56357237     10.94123001    -11.93570878
  H     13.34176323      7.53688614     -8.98205360
  H     18.24086946     10.30774269    -11.67251091
          69
 Energy    -247.93914101034096     
  O      0.73840553     -0.22690516      5.25356523
  H      1.25877357     -0.36631508      6.04103782
  H     -2.59559433      2.96713678      0.03648557
  O      1.79508319     -0.71491317     -2.57954121
  H      0.62145120      0.73637227      5.16059785
  H     -1.18246663     -0.39962217      5.26255454
  O     -0.54253058      0.14106819     -1.13414510
  H      1.76516400     -1.65587134     -2.36083792
  H     -2.31494389      0.65028915      5.46323449
  O      1.69559828     -3.33316375     -1.44414655
  H      0.94578550     -0.35550103     -2.29476155
  H      0.38456884      2.10154676      1.61443435
  O      3.14330074     -2.20159157      0.57140174
  H      0.08803841      0.39013343     -0.44470275
  H     -0.91029803      2.99874538      1.65348196
  O     -3.80237683      2.83051160      3.35630064
  H     -0.76128821     -0.79322136     -0.99730687
  H     -2.98891162      1.81276387     -2.23348641
  O     -3.20191378     -3.58015254      2.64551554
  H      2.21771466     -3.01106647     -0.68783146
  H     -1.90749220      1.19815163     -1.31185743
  O      0.15980710      2.39113169      4.92908101
  H      2.05364128     -4.18369168     -1.68385775
  H     -2.02813753      0.07206812      3.33936085
  O      3.59836358      0.29009465     -0.80929872
  H      2.71031355     -1.95167061      1.39791676
  H     -1.26308685      0.99042645      2.35802713
  O     -5.29065108      0.54396176      2.92470449
  H      3.46686645     -1.38048236      0.18108344
  H     -0.85254172     -2.57296988      0.30616053
  O     -4.40002689     -1.69871259      4.50574126
  H     -3.41998059      3.05147595      2.50304300
  H     -0.08444347     -2.94092748     -0.98823194
  O     -2.47620735      3.55003277      0.80214595
  H     -4.39085641      2.07252175      3.21255650
  H      0.77406297     -1.77667863      2.49448358
  O     -2.13305645     -0.25625117      5.17658877
  H     -3.51238519     -3.40734462      1.74326924
  H      1.39155166     -0.88405129      3.58873400
  O     -0.25048799      2.54740365      2.19361638
  H     -3.70921388     -3.00548185      3.22884746
  H     -3.02115872      2.65106991      4.86489536
  O     -2.69703866      1.76851668     -1.32655936
  H      0.09379662      2.56182702      3.97832682
  H     -3.03895582      2.94121293      6.38520593
  O     -1.78550885      0.18176441      2.41131712
  H     -0.72327548      2.55211533      5.28378235
  H      2.19028568      0.79283661      0.28921098
  O     -0.90302572     -2.54878283     -0.66196790
  H      4.35468573      0.70616327     -1.21293112
  H      1.42860348      0.14010045      1.47498355
  O      1.54185907     -1.21837926      2.69735467
  H      3.02879197     -0.02913244     -1.53247365
  H     -1.14246374     -1.46926713      2.15389347
  O     -2.57418822      2.45565947      5.70972057
  H     -5.11839180     -0.23843451      3.46115017
  H     -1.57401662     -2.94066027      2.36300327
  O      1.37197166      0.83142243      0.79910369
  H     -5.00030600      0.31560544      2.03104531
  H     -2.83710088     -2.83284499     -0.40848068
  O     -0.82931161     -2.38432196      2.09073201
  H     -3.59504664     -1.26365737      4.83055327
  H     -3.88238891     -1.85536077      0.14570188
  O     -3.70728128     -2.79581875      0.00610805
  H     -4.83803128     -2.06659132      5.27030882
  H     -3.14620657      0.03302684      1.21982841
  O     -3.87058822     -0.02538709      0.57723895
  H     -2.70190196      4.43142384      0.51207500
  H     -3.63803987      0.57141277     -0.14052951
          69
 Energy    -247.93907236447131     
  O     17.23896599     11.24569995    -14.83418655
  H     16.40027882     11.71390829    -14.92403090
  H     17.69152512      8.03940627    -10.03619281
  O     15.18740286      6.76700275    -11.38023967
  H     17.42204209     11.20435761    -13.88748307
  H     11.85251107      8.75478372     -8.28755561
  O     11.66301364      8.44902257    -13.43696076
  H     15.43496143      6.35717398    -12.22004894
  H     13.35241466      8.40844986     -8.43899921
  O     13.90829390     10.87774966    -10.21442715
  H     14.22196192      6.75458753    -11.31083727
  H     14.52727602     12.25278956    -11.42782502
  O     18.97464088      8.62730109    -11.34022834
  H     12.30092574      8.99213010    -13.91604506
  H     15.96695400     12.34925241    -11.96177448
  O     13.24426593      5.67890517    -16.37039066
  H     11.32845462      7.80178980    -14.07084728
  H     14.57157526      9.87241830    -11.57976538
  O     15.89808180      5.84247373    -13.87205938
  H     13.31525024     10.25259905     -9.78309215
  H     15.14127748      8.47560658    -11.97872693
  O     13.81964763      9.82190043    -14.64261617
  H     14.74462801     10.85596247     -9.72096683
  H     17.54152252      9.73491491    -15.63014774
  O     16.47433926     10.64551176     -9.24225114
  H     19.91276106      8.50703682    -11.21854144
  H     18.28829103      8.97525750    -16.75256238
  O     14.07496305      3.79373329    -14.34771011
  H     18.73335640      8.14469019    -12.15262996
  H     12.10751253      5.48806096    -12.24985142
  O     14.86645906      7.93758496     -7.63389577
  H     13.90870845      6.37988658    -16.32663120
  H     11.48904528      5.29114561    -13.64701372
  O     16.89550326      7.82975625     -9.53423675
  H     13.57940168      4.95534578    -15.82686335
  H     18.15496119      7.88403125    -14.43880801
  O     12.56431929      8.71133494     -8.92183076
  H     15.59558846      6.49046198    -14.52511832
  H     17.54000434      6.71856368    -13.64662219
  O     15.08164712     12.71419215    -12.07087343
  H     15.38688050      5.03796830    -14.02472912
  H     12.16694584      7.60274595    -11.97822863
  O     15.06984257      9.39583977    -12.25889154
  H     13.96840644     10.75298577    -14.83919698
  H     12.37968397      7.57298135    -10.43377062
  O     17.70373192      8.85260718    -16.00928054
  H     14.28547481      9.65444637    -13.80661153
  H     10.16020710      6.18406547    -15.73564558
  O     11.99754010      4.84224095    -12.95919685
  H     16.93227127     10.93083438    -10.04052248
  H     11.70415416      6.12343920    -15.66466397
  O     18.23608408      7.38723412    -13.61569744
  H     16.58484702      9.68528751     -9.23044902
  H     14.60995442      8.43712964    -15.48828404
  O     12.45907242      7.04675546    -11.23639675
  H     13.33986135      4.11213054    -13.79237521
  H     16.00985149      8.05005926    -16.02220503
  O     10.90068931      6.32031412    -15.15115958
  H     14.04881891      2.84150907    -14.32062775
  H     14.73637908     12.65597671    -13.80183716
  O     15.13508697      7.69540134    -15.82200643
  H     15.62491305      7.79895651     -8.22152307
  H     14.36938015     13.34141158    -15.13801608
  O     14.66777910     12.51719077    -14.76303112
  H     15.23538254      8.23954729     -6.80633055
  H     18.07333624     10.22657770    -11.79104633
  O     17.38081383     10.86363238    -12.00795748
  H     16.30820741      7.36737403    -10.15374057
  H     16.57864576     10.33174918    -12.15019476
          69
 Energy    -247.93885870912723     
  O     17.47901592     18.18933477    -14.44132375
  H     18.31912167     17.94907933    -14.02700183
  H     19.30061545     16.99659845    -17.69477268
  O     22.48364246     13.36627822    -13.47554248
  H     17.64791791     18.22910591    -15.38829888
  H     14.77384351     12.50823789    -14.03698832
  O     15.40136694     14.20268191    -13.51197171
  H     22.48541255     14.33365253    -13.59724410
  H     15.28820857     11.11444552    -13.63519669
  O     17.50154465     12.52024206    -17.45617425
  H     23.15208163     13.16751162    -12.82627854
  H     22.32027491     16.04590748    -14.97908466
  O     16.70986319     10.34251012    -12.61200722
  H     15.35934515     15.13492710    -13.26304494
  H     21.50066732     16.43057860    -13.71317119
  O     15.61485697     10.63230989    -16.67065211
  H     16.12523633     13.81070735    -13.00023730
  H     18.30943706     13.05358057    -12.61797522
  O     22.14708500     12.90563322    -16.31111964
  H     16.82646011     11.84366505    -17.31667141
  H     17.21453103     12.09615216    -12.10832194
  O     22.36420158     15.74670043    -16.89143077
  H     18.29870399     12.23389901    -16.98550300
  H     18.57829711     10.24931791    -15.39282968
  O     15.68679770     16.90610218    -12.83704654
  H     17.18382023     10.09961538    -13.42714688
  H     17.10246000      9.90157089    -15.65567322
  O     19.70734831     13.15303325    -13.67909660
  H     16.67582964      9.55795530    -12.07109912
  H     16.15245365     15.84296561    -17.42068888
  O     18.19407406     14.43730885    -19.30444012
  H     15.23277157     10.99813557    -15.85196568
  H     16.82066535     15.77396054    -18.79574837
  O     19.84519917     16.21371908    -17.85578273
  H     14.93019847     10.11555520    -17.08637819
  H     19.26142906     16.54150990    -12.55373027
  O     14.74686256     11.57615214    -14.28832053
  H     22.37077754     12.92764065    -15.37171709
  H     19.45753415     16.32530873    -14.06809537
  O     22.31396798     16.00346633    -14.01526541
  H     22.24679816     13.81698953    -16.60837665
  H     17.31068612     17.66803029    -17.65146372
  O     17.48696070     13.02127056    -12.10435173
  H     21.51668428     15.96651848    -17.31082727
  H     17.85005729     19.11960171    -17.69988627
  O     17.82703166      9.75947585    -15.03455270
  H     23.04661472     16.13519502    -17.43413024
  H     17.84411877     14.83615945    -11.48200213
  O     16.31537990     16.36209919    -18.22325133
  H     15.10878302     17.55997032    -12.45226085
  H     17.17314921     16.18554839    -11.78510855
  O     19.72805986     16.89035001    -13.32782191
  H     16.26667641     17.38078755    -13.45817094
  H     20.55559431     11.95837293    -16.30704542
  O     17.99800956     18.26474106    -17.30309552
  H     20.65283927     13.17903298    -13.48585851
  H     19.58880120     12.07008538    -15.13200580
  O     17.98945068     15.78952310    -11.45679450
  H     19.51404099     13.89663450    -14.27094312
  H     18.03135237     15.11030596    -15.53114423
  O     19.68776521     11.65946118    -16.00350564
  H     17.94359624     13.72105634    -18.69660750
  H     19.37405201     15.46938774    -16.20928913
  O     18.98192839     15.19151333    -15.37496081
  H     18.31025042     14.03720675    -20.16266934
  H     16.66332150     13.84554340    -16.45909700
  O     16.35367484     14.66450283    -16.04942373
  H     19.33872646     15.61628902    -18.42183682
  H     15.94894398     14.45241175    -15.19833834
          69
 Ord_Energy   -247.938705    
 O   -4.52785540      -10.5319862       9.81186676    
 H   -4.73394251      -11.2244635       9.17166519    
 H   -4.33834124      -9.73722363       9.29427624    
 O   -6.45745087      -9.77815056       11.5743685    
 H   -6.24334621      -10.0875673       12.4503584    
 H   -5.73316717      -10.0667448       10.9911299    
 O   -4.15328693      -9.15139198       5.44382858    
 H   -4.11741400      -8.78288269       6.33578539    
 H   -5.04035187      -8.95129585       5.11215162    
 O   -5.41466999      -12.1900330       7.63925076    
 H   -4.91015196      -12.1659374       6.81545544    
 H   -6.21985388      -12.6964369       7.45991850    
 O   -6.88053656      -9.06556988       4.80213261    
 H   -7.09051514      -9.97295666       4.53983784    
 H   -7.67681932      -8.52573395       4.73482466    
 O   -5.81957674      -5.87578058       8.88950825    
 H   -5.53960276      -4.99961615       9.13983536    
 H   -6.26859903      -6.25875950       9.66547585    
 O   -9.61738491      -7.64417124       9.54888725    
 H   -9.29625416      -8.55378056       9.63402367    
 H   -10.5040836      -7.71226454       9.17098904    
 O   -7.02612591      -11.8232098       4.46974754    
 H   -6.06430149      -11.8980255       4.51035166    
 H   -7.35780668      -12.2272692       5.28498793    
 O   -7.89204264      -13.1459951       6.79531002    
 H   -8.33331299      -13.8970070       6.38029099    
 H   -8.58416557      -12.6030960       7.19948149    
 O   -4.24739695      -11.8254147       5.08525372    
 H   -3.45818472      -12.1620884       4.67033100    
 H   -4.12047052      -10.8650522       5.19575071    
 O   -8.48524094      -10.1759424       9.67994118    
 H   -7.93816185      -9.99387836       8.89691544    
 H   -7.88574362      -10.1629791       10.4349070    
 O   -10.7036428      -9.57398891       6.07035637    
 H   -10.1690865      -8.86909962       5.68252611    
 H   -11.0220127      -10.1369410       5.35303402    
 O   -9.30091095      -13.0471640       3.36820555    
 H   -8.48331451      -12.5677061       3.56027746    
 H   -10.0265284      -12.4353848       3.54110742    
 O   -11.5874681      -11.5156794       4.24514151    
 H   -11.6674652      -12.1790972       4.95509481    
 H   -12.3971748      -11.5517797       3.74205971    
 O   -6.88229084      -9.80717468       7.51011181    
 H   -6.36409187      -10.6246758       7.51895046    
 H   -6.94745922      -9.51151943       6.59423542    
 O   -9.95530701      -11.6007299       7.85003901    
 H   -9.55958271      -11.2108364       8.64091969    
 H   -10.1531277      -10.8640709       7.25419235    
 O   -9.43333149      -14.9673576       5.29414082    
 H   -9.38600349      -14.3668852       4.52800179    
 H   -9.37398815      -15.8560486       4.95506763    
 O   -4.61583090      -8.28739929       8.10335064    
 H   -4.86133862      -7.39072132       8.36042118    
 H   -5.45482874      -8.74955940       7.95295906    
 O   -9.14938545      -7.46818209       5.07702112    
 H   -8.79465580      -7.08366585       5.90152788    
 H   -9.47945404      -6.74274540       4.55421305    
 O   -8.20077896      -6.52239609       7.39165115    
 H   -7.35776186      -6.23848915       7.75959635    
 H   -8.71338654      -6.86927891       8.13499451    
 O   -7.19133663      -7.06425047       10.8992233    
 H   -6.91524553      -7.94109392       11.1915007    
 H   -8.09990978      -7.15429735       10.5813179    
 O   -11.9708424      -8.19348145       8.17080593    
 H   -12.7856045      -8.62934589       8.41090107    
 H   -11.6195240      -8.68650818       7.41430616    
 O   -11.5468721      -13.3079042       6.28825855    
 H   -10.9350348      -14.0103207       6.03525591    
 H   -11.1025476      -12.8073702       6.98716688    
          69
 Energy    -247.93866604589738     
  O      1.85334579      1.49977971      4.67873430
  H      2.54541813      1.98102344      5.12418557
  H     -3.23231178      3.30139802     -0.86034166
  O      1.07746173     -1.62039809     -2.95768933
  H      1.18896915      2.15612545      4.39997597
  H     -1.75450213      0.58884042      5.63508412
  O     -0.12914008     -0.12164540      5.94782652
  H      0.39097943     -1.50744093     -2.28022231
  H     -2.66011413      1.80236648      5.22075683
  O     -0.55521619     -1.13605341     -0.77951680
  H      0.62591364     -1.87813617     -3.75659253
  H      0.06803740      1.82448923      0.82939642
  O      2.41564026     -2.63982653      0.85593917
  H     -0.15307712     -0.89113177      5.36788032
  H     -1.34522707      2.51062723      0.70017858
  O     -4.18315133      2.73138539      2.46395917
  H      0.59555296      0.42780311      5.62397708
  H     -3.49012574     -0.35240933     -0.32032861
  O     -2.72764559     -3.28849556      4.18882001
  H      0.04065277     -0.48078384     -0.39010409
  H     -2.16699613     -0.27099219     -1.07669866
  O     -0.04576537      3.22415480      3.84073671
  H     -0.57197954     -1.87610394     -0.15963818
  H     -1.46967338      0.89826502      2.21110139
  O      3.11326380     -0.84248482     -1.32358615
  H      2.44671188     -2.01453796      1.59169153
  H     -2.21683874      0.44810141      3.50808412
  O     -5.70292519      0.29523312      2.56547818
  H      2.73365491     -2.14789931      0.09038907
  H     -0.34521448     -2.81139690      2.04641285
  O     -4.45894070     -1.18095502      4.77208555
  H     -3.82449320      2.74243064      1.56920585
  H      0.67067539     -3.16936835      0.94677788
  O     -2.97249695      2.70323004     -0.16494866
  H     -4.73628340      1.94314439      2.53068406
  H      1.13889457     -1.13526453      3.16751972
  O     -2.61095051      0.84056290      5.25827268
  H     -2.96911781     -3.62387530      3.31991439
  H      1.98677859      0.12617388      3.43817321
  O     -0.63346401      2.28313852      1.31103834
  H     -3.39267021     -2.62233195      4.42322846
  H     -3.22869461      4.29963825      5.04044359
  O     -3.03727762      0.14453482     -1.01516354
  H     -0.19969671      3.00506524      2.91032025
  H     -3.29063971      3.32440685      3.84135486
  O     -1.89157168      0.14874880      2.64676782
  H     -0.91532145      3.43065078      4.20128531
  H      1.51801427      0.20659529      1.21294300
  O     -0.27628656     -3.16957490      1.15074333
  H      2.47693806     -1.13583117     -1.99862725
  H      2.02859948      0.27921123     -0.24808888
  O      1.85963543     -0.59811003      2.81130213
  H      3.95423858     -0.74122539     -1.76132226
  H     -0.90699207     -1.15237376      3.28878652
  O     -2.77078517      3.57263981      4.62738604
  H     -5.14069228     -0.29968045      2.04020724
  H     -1.16595201     -2.50430428      3.99565212
  O      1.33457837      0.59430935      0.34358953
  H     -6.60060788      0.15005642      2.27617725
  H     -3.15445837     -4.75207549      0.94802548
  O     -0.45833669     -1.92465896      3.67145770
  H     -3.86711179     -0.49203715      5.10756883
  H     -1.98658431     -3.77073304      1.18411137
  O     -2.93832719     -3.90310211      1.32593579
  H     -5.01829265     -0.73126519      4.13125815
  H     -3.64858911     -2.17442171      1.25923653
  O     -3.85393868     -1.23279134      1.26251675
  H     -3.03417262      1.80201436     -0.52954776
  H     -3.14447439     -0.78507505      1.75169144
          69
 Energy    -247.93866035262619     
  O     13.03226838     10.59238353    -15.22270860
  H     12.91746058     10.00608047    -14.45231459
  H     19.82951012      6.22848257    -13.58161590
  O     16.76842129      5.42898485    -14.49161134
  H     12.20706139     11.05468147    -15.34048064
  H     16.77797836     11.49428599    -16.08412906
  O     19.21937098      9.40847561    -12.64666432
  H     16.74560605      6.39130147    -14.61453152
  H     18.26352431     11.09725679    -16.19630091
  O     19.79853578     10.59700134    -15.13210569
  H     16.52732260      5.05975461    -15.34903791
  H     15.88459257      8.28208868    -15.66589902
  O     13.65920894      6.10379494    -16.16423371
  H     18.28041539      9.62883505    -12.75543973
  H     17.44719182      8.16739530    -15.59272303
  O     16.53481769      9.32994501     -9.21231868
  H     19.30142975      9.10068901    -11.73692708
  H     13.40890040      8.91991407    -12.42095551
  O     15.17511178      5.97592083    -12.22607603
  H     19.66793649     10.24041661    -14.23932911
  H     12.66009480      7.94161796    -13.33992110
  O     16.55391278      9.87230597    -13.03103594
  H     20.60595889     11.10507540    -15.10139657
  H     16.78138148      5.96059603    -11.14907102
  O     17.39529202      7.03994180    -18.18056436
  H     14.39295882      5.59792979    -16.53005977
  H     18.19396284      5.47123876    -11.51325257
  O     19.17694148      8.07246979    -16.31043791
  H     13.82599718      7.02083873    -16.42555266
  H     11.93462948      5.52506260    -13.59835268
  O     16.06680517      4.89447374    -17.15387996
  H     16.65569195     10.20437394     -8.84793692
  H     13.04991577      6.03399831    -14.54188685
  O     20.15105083      7.03955560    -13.99035215
  H     17.41830636      9.01833758     -9.45559123
  H     19.18362862      3.75780731    -13.20497461
  O     17.45361124     11.18575598    -16.70786868
  H     14.26887490      5.93651864    -12.55892723
  H     18.16780060      4.85979932    -13.59794742
  O     16.63014624      8.08734583    -15.08321768
  H     15.72092961      5.72590144    -12.98395305
  H     18.53999498      7.42262077    -10.34506995
  O     12.78371167      8.88041539    -13.15718349
  H     16.54740221      9.24033548    -13.76771814
  H     19.69460539      7.96083884     -9.46806596
  O     17.70573023      6.01285345    -10.87954788
  H     15.94186036      9.52649144    -12.37008082
  H     16.75070100     10.21877505    -17.94304802
  O     12.72572301      6.05668977    -13.62329495
  H     16.98285095      7.86799285    -18.45251097
  H     16.23681169     10.15856359    -19.40065618
  O     18.92300168      4.65566418    -13.01809629
  H     18.14993773      7.30466692    -17.63542819
  H     15.31773051      8.80637428    -10.45825238
  O     19.00379573      8.23427274    -10.06623396
  H     19.45064765      8.98264478    -16.15202215
  H     14.99536476      7.69426981    -11.51312983
  O     16.28121607      9.65949198    -18.58992096
  H     19.57343849      7.56183781    -15.58696524
  H     15.93003909     11.27333680    -14.08166230
  O     14.81726683      8.61090777    -11.26208323
  H     16.12292812      4.18635720    -17.78958919
  H     14.67720927     11.52227265    -14.93602262
  O     15.58173465     11.82504198    -14.79591421
  H     16.52941413      5.65639489    -17.54749102
  H     13.94403719      9.41339183    -16.29150833
  O     14.44009802      8.70626057    -16.72469422
  H     19.82840810      7.77536545    -13.45399762
  H     14.95010034      9.08962249    -17.44957555
          69
 Ord_Energy   -247.938644    
 O   -3.01210904       2.02831316      0.862015605    
 H   -3.41975975       1.68652773       4.62979116E-02
 H   -2.23836589       2.51778221      0.594385743    
 O   -7.36560297      0.246196240      -3.19149899    
 H   -7.35353947      0.947815180      -2.52857614    
 H   -6.49370527     -0.168888897      -3.14862180    
 O   -5.53400946      -3.39478040       3.17147779    
 H   -4.84656858      -3.09204102       3.78281927    
 H   -6.32966805      -2.88676786       3.37682199    
 O   -6.95713806       1.82312500     -0.929514527    
 H   -7.27678537       2.42610598     -0.250865012    
 H   -6.92221308      0.944627106     -0.516348302    
 O   -6.27373314     -0.986264884       5.88981152    
 H   -6.65015650      -1.14336765       6.75259018    
 H   -6.89608860      -1.35725367       5.24390984    
 O   -8.37785816      -2.70014858     -0.675475836    
 H   -7.63119602      -3.28231835     -0.883849502    
 H   -8.75475311      -2.40614963      -1.51476705    
 O   -4.48598099      -1.78994703       1.19207895    
 H   -4.03727341      -1.11781442       1.72166693    
 H   -4.85537767      -2.43289852       1.81326354    
 O   -9.10496616      -1.80543315      -3.20096087    
 H   -9.82367039      -1.65869141      -3.80903792    
 H   -8.54026031      -1.01058674      -3.23313880    
 O   -9.18664646      -3.47450542       1.84132862    
 H   -8.98042774      -3.16675663      0.942370772    
 H   -10.0767050      -3.81816554       1.81306279    
 O   -7.70839453       3.27864718       1.39933550    
 H   -8.11995697       4.13048124       1.51647043    
 H   -6.78684092       3.36634111       1.70440388    
 O   -5.15913296       3.27307439       2.32412505    
 H   -5.20896387       2.70867038       3.10648012    
 H   -4.42547750       2.93562770       1.79613340    
 O   -7.83929873      0.676906705       2.52974916    
 H   -8.00774860       1.57552600       2.22275782    
 H   -7.50886917      0.190476850       1.75688040    
 O   -6.21010876      -4.34536695      -1.18553019    
 H   -5.32416153      -3.96250987      -1.17068887    
 H   -6.34914064      -4.77256489     -0.326621175    
 O   -5.63520002       1.16450560       4.16028452    
 H   -6.39762259       1.02559805       3.57864761    
 H   -5.78466463      0.591043353       4.92024374    
 O   -6.63323975      -3.22273874      -3.79481053    
 H   -6.52887440      -3.79363608      -3.02255130    
 H   -7.52615118      -2.86395693      -3.73484468    
 O   -4.27160835       1.16136038      -1.37022102    
 H   -4.36782360      0.412077069      -1.96783924    
 H   -5.15564966       1.54581916      -1.28983951    
 O   -4.91776371      -1.20158267      -2.93434668    
 H   -4.39423275      -1.73585343      -2.32425380    
 H   -5.46119261      -1.85469699      -3.40151119    
 O   -3.70695543      -2.98525739      -1.10074782    
 H   -3.89324737      -2.53965783     -0.256314307    
 H   -2.82347560      -3.33952761      -1.04255831    
 O   -6.86287212     -0.618664563      0.354005992    
 H   -7.39906216      -1.31217480      -5.00196218E-02
 H   -5.99743795     -0.992686808      0.562724531    
 O   -3.40031195      0.106917009       2.86921239    
 H   -3.11873531      0.764881670       2.22022223    
 H   -4.15959930      0.490614027       3.33202195    
 O   -6.80515671      -5.13747168       1.38904095    
 H   -6.23287535      -4.70728827       2.03928733    
 H   -7.68485022      -4.79511023       1.58038664    
 O   -3.78734279      -2.02759767       4.80025482    
 H   -3.44861293      -1.32591128       4.23023653    
 H   -4.50842094      -1.63732040       5.30972862    
 O   -7.86633301      -1.84752464       3.74478269    
 H   -7.96583843     -0.956703842       3.37951541    
 H   -8.40034580      -2.42789650       3.18639493    
          69
 Energy    -247.93863998267318     
  O     12.96052677      2.70674494    -12.94295193
  H     13.21912650      2.03078470    -13.56413558
  H     10.84240073      9.00067278    -12.87348463
  O     11.73092273      1.30691613     -8.69520973
  H     11.98721708      2.76116703    -12.97820119
  H      8.98929447      6.95454005    -10.38831703
  O      8.86761113      5.45209894    -13.41819726
  H     11.38874950      2.03865116     -8.14921743
  H      8.40469186      8.13750274    -11.16819768
  O     15.51575747      6.92214816     -9.61924996
  H     11.86116591      0.56459731     -8.11140567
  H     12.38959946      5.81453199    -10.81493536
  O     11.88049053      6.00251636     -7.70576312
  H      8.33224064      6.25149461    -13.33524837
  H     12.33913123      4.34368053    -10.30915958
  O     10.27531897      2.86203500    -12.96588596
  H      9.63233049      5.71501770    -13.94986474
  H     10.30225115      1.44112103     -9.98655876
  O     13.43522479      2.89981405    -10.19952900
  H     16.46731950      6.91137428     -9.67529633
  H      8.98432484      2.21906232     -9.95320504
  O     13.27255879      5.42307802    -13.81174310
  H     15.24842359      6.09593669     -9.17702177
  H     13.15957691      7.46219704     -7.68147778
  O     11.48083349      8.91707136    -11.07522468
  H     11.87345639      5.74427947     -8.64042650
  H     14.44282368      7.89701908     -8.41148131
  O      7.80400956      8.09921407    -13.00179525
  H     11.21776906      6.70552729     -7.61900771
  H     14.25516733      4.02607350     -8.97643673
  O      8.22112160      3.55252437     -8.76099157
  H      9.94437993      2.45448735    -12.15023976
  H     13.72964425      4.99002196     -7.88887254
  O     10.31557170      8.86360040    -13.67099486
  H      9.68271433      3.58535662    -13.18483069
  H      9.00324558      5.21845222    -11.63352859
  O      8.92312269      7.92127544    -10.38497342
  H     13.36484870      2.73248096    -11.14886165
  H     10.12415310      5.12289296    -10.56583699
  O     11.84353865      5.17145746    -10.34425901
  H     12.90066322      2.24099726     -9.73483705
  H     12.86251251      7.77528860    -11.39661865
  O      9.56070185      1.71491248    -10.53909868
  H     13.46085163      5.99520293    -13.05449014
  H     14.21120237      7.10591625    -10.94007337
  O     13.73022540      8.22252097     -7.84875701
  H     13.25426992      4.51570022    -13.48658554
  H      9.78918419      3.49864044     -7.72028129
  O     14.52289557      4.72877965     -8.36689906
  H     10.62642547      8.52865444    -10.83943556
  H     11.04504745      4.30331926     -7.30547311
  O      9.16451707      5.20792428    -10.68117037
  H     11.72279390      9.48371900    -10.33189956
  H     12.73502309      9.55475616     -8.32672807
  O     13.47273589      7.04160075    -11.55826692
  H      7.13392691      8.63315804    -13.41967584
  H     12.27512694     11.03112343     -8.24335391
  O     10.68119374      3.41242637     -7.35788891
  H      8.66569079      8.44886714    -13.29523367
  H     11.86181328      6.04682055    -14.55851005
  O     12.06567414     10.19032306     -8.64002725
  H      7.31084725      3.72666348     -8.53733464
  H     11.11878432      6.35227787    -15.87900034
  O     11.04049058      6.41380272    -14.93052622
  H      8.47175998      4.19547981     -9.44787538
  H      9.57485237      8.11889423     -8.61473177
  O     10.15532655      8.15503803     -7.84344068
  H     10.68320222      8.09206809    -14.12134073
  H     10.70573215      8.93499157     -7.98250436
          69
 Energy    -247.93862904524556     
  O     15.93803683     10.02058957    -11.06213251
  H     15.67559553     10.81955555    -10.59193857
  H     12.59806786      7.52736926    -10.70970435
  O     14.84771938      4.88814294     -7.92152316
  H     15.74946349      9.27783211    -10.46510816
  H     12.46234514      8.03590085     -8.03992818
  O     15.21446975     12.08855073     -9.29973132
  H     14.06423710      4.66053709     -8.43592726
  H     13.21225547      7.80178194     -6.71116657
  O     12.61904608      4.51359045     -9.66542680
  H     15.56171446      4.97248139     -8.56800508
  H     19.87434025      5.59839713    -11.29485602
  O     15.29355664      8.34095534    -13.15525434
  H     14.84719159     12.96774302     -9.32240292
  H     20.84414103      4.44478078    -11.60437262
  O     18.59094223      9.19427611    -11.43025829
  H     14.73591701     11.60143561     -8.60345430
  H     16.37670735      5.40650665    -10.91061785
  O     19.85625539     10.40733396     -9.21249880
  H     12.87636189      4.52523477    -10.60470263
  H     17.55019785      5.82528838     -9.99266611
  O     19.10050497      6.74627175    -10.18176335
  H     11.89072215      3.90308479     -9.58715833
  H     18.28945979      8.56905458    -13.22621200
  O     13.29582982      4.86908694    -12.26494768
  H     16.12386085      8.33228120    -13.65469210
  H     18.17803362      7.29496370    -14.09607367
  O     14.18511643     10.60105283     -7.30383733
  H     15.41997499      9.00770843    -12.46482712
  H     14.45063017      7.74437857     -9.47783922
  O     12.68719300      7.65646531    -12.60709176
  H     19.13650184      9.65766266    -10.78170601
  H     15.84474619      7.07532077     -9.63889948
  O     12.68967151      7.33090078     -9.76948416
  H     17.69566017      9.54705134    -11.32676325
  H     17.24994138     10.42713161     -7.52679527
  O     12.56677501      8.37565548     -7.14169644
  H     20.58372911     11.00002974     -9.04391644
  H     16.85020321     11.61729749     -8.42480109
  O     20.17206838      4.99581721    -11.99627313
  H     19.07056906     10.79599706     -8.78624452
  H     14.78903749      6.08803473     -6.65132801
  O     16.64252457      5.49294243     -9.98496968
  H     18.89643616      7.53822486    -10.69859407
  H     14.62877837      6.34768577     -5.13691657
  O     17.88358524      8.21060035    -14.02690613
  H     19.21459116      7.04371899     -9.26773309
  H     15.75153876      6.53966623    -12.79310638
  O     15.40135824      7.91382943     -9.45611805
  H     14.23955631      4.92871869    -12.46613856
  H     16.76031071      5.42972850    -13.18617792
  O     17.59939215     11.20600144     -7.97763273
  H     12.94112005      5.73905456    -12.48574067
  H     18.31702994      8.19209946     -7.39352066
  O     14.73069541      6.78816714     -5.97670251
  H     14.95888962     10.11800936     -6.99709854
  H     19.51181709      8.82187329     -8.14096669
  O     15.96265086      5.60406899    -12.67144182
  H     13.46794600      9.95236655     -7.26136348
  H     16.11550473      8.53131677     -7.93758642
  O     19.18881873      7.99688666     -7.75546921
  H     13.58197760      7.92337571    -12.87730449
  H     15.98951565      8.12246409     -6.47071467
  O     16.44525833      8.74640809     -7.04982965
  H     12.08142191      8.11198818    -13.18662523
  H     19.07767148      5.19927237    -13.34465183
  O     18.41513075      5.37674475    -14.03437485
  H     12.59449965      6.37346164     -9.67414681
  H     18.68489372      4.88966143    -14.80867165
          69
 Energy    -247.93842697671994     
  O     16.09433836     -9.70978496      8.92010271
  H     16.51186062     -8.95225694      9.35163265
  H     14.70785436     -0.01085604     10.23762823
  O     14.39483667    -10.81441980     10.90997941
  H     15.59129940    -10.16173892      9.61065394
  H     14.03291593     -5.70284154     10.50345232
  O     16.27272820     -6.87462123     13.09695273
  H     14.44268556    -11.68728629     11.29216381
  H     15.04932762     -4.62456998     10.08957762
  O     11.47603720     -5.13158799     12.73034170
  H     14.38666088    -10.18888408     11.65435731
  H     16.08133062     -2.09495793     10.72019596
  O     13.45985293     -2.55218522      8.19986422
  H     16.94856203     -6.96281224     13.76587785
  H     16.45355815     -3.13755129     11.79173684
  O     12.92561493     -3.37586380     14.18576625
  H     15.95897001     -5.95706650     13.14527706
  H     14.92427328     -8.29304006     13.07299006
  O     15.33356556     -4.27104848     13.03847046
  H     11.34723313     -4.73090784     11.86362539
  H     13.42864534     -8.61756437     12.84262536
  O     12.59681963     -1.74993929     11.83122685
  H     11.61890014     -6.07331177     12.56860071
  H     16.81762975     -6.51783926      9.89717210
  O     10.93499388     -6.05123899      8.72792987
  H     13.90935209     -1.95425119      8.81078786
  H     16.67791918     -7.23116771     11.27469540
  O     10.31767541     -8.64037702      9.85390418
  H     12.70345426     -2.90072315      8.68546372
  H     13.96007031     -6.00548170      7.20098221
  O     13.90638383     -7.38704228     10.07958181
  H     12.38622419     -4.05552006     13.74029912
  H     13.71479757     -7.55260338      7.08233165
  O     14.65182955     -0.96299897     10.25219733
  H     12.51351692     -3.20870498     15.02888823
  H     15.20869134     -4.10653451      6.08830627
  O     14.23939216     -4.76197910     10.59398806
  H     14.64122332     -3.91821259     13.60974683
  H     14.42143628     -3.73417917      7.36549493
  O     16.74290501     -2.76004242     10.95295491
  H     14.89775679     -4.41944317     12.18297778
  H     14.54703408     -9.82838831      6.16559304
  O     14.29872228     -9.01950582     12.97481080
  H     12.71284437     -2.19559656     12.67860437
  H     15.01477363     -9.43273135      7.58586076
  O     16.70358770     -7.38103560     10.32189402
  H     12.09105341     -2.35618852     11.27390941
  H     12.63102714     -4.10697529     10.30601137
  O     13.35953946     -6.72431089      7.43279874
  H     11.67690626     -6.26981187      8.14847918
  H     11.31002257     -4.55793211      9.61597306
  O     14.98811152     -4.41706945      6.96298425
  H     10.64507856     -6.88727727      9.11097068
  H     12.93487155     -9.90281130      8.18114319
  O     14.32139205     -9.28656730      6.91688209
  H      9.50147156     -9.11497361      9.72075119
  H     13.02014537    -10.38188559      9.63866220
  O     11.71257833     -3.83978250     10.12853098
  H     11.02777414     -9.20178283      9.49496634
  H     16.27279250     -4.62555921      8.35257217
  O     12.39506899    -10.15729549      8.93728278
  H     14.85724431     -7.55114170     10.11677280
  H     16.89209341     -4.04097664      9.68468123
  O     16.71037732     -4.85086059      9.18241367
  H     13.66879861     -7.22219277      9.15745268
  H     11.24502610     -8.12751344     11.45328672
  O     11.98353437     -7.78730044     11.97130156
  H     13.93374165     -1.19095068     10.86978936
  H     12.69358573     -7.65951335     11.32002409
          69
 Energy    -247.93826447565834     
  O     16.94477262      9.17053568    -13.93149933
  H     17.33436500      8.57421580    -13.27795909
  H     12.18964966      7.82022267    -11.61888139
  O     17.41022140      8.15091746     -8.10135812
  H     16.82950990     10.01951729    -13.49113515
  H     14.08011405      6.25543885    -13.11283322
  O     14.35006850      5.67171379     -9.04640303
  H     17.45236384      8.86707175     -8.74696897
  H     13.80577798      6.98043276    -14.43315150
  O     11.83777020      8.17768293     -8.18408288
  H     17.89397427      7.41977391     -8.50270511
  H     18.02244646      5.34136683     -9.40820406
  O     16.69887369      4.22678328     -9.07447693
  H     13.40482443      5.55171198     -9.19747875
  H     19.53417086      5.65627999     -9.32529089
  O     17.66578787      7.50370157    -11.77159551
  H     14.46015430      6.51203524     -8.57661869
  H     14.54338726      8.98968817     -8.19522311
  O     15.95244945     11.49254871    -12.40066819
  H     12.74707488      8.14592823     -7.86348676
  H     15.62727525      8.03669849     -7.69586726
  O     11.92894140     12.23187973    -11.00246416
  H     11.66718370      7.31554002     -8.58145052
  H     12.77238742     10.74213032    -13.77427421
  O     17.11355203      9.88024567    -10.40296318
  H     16.50502485      3.29582610     -9.14919837
  H     13.89663034      9.79844237    -14.33872131
  O     13.51206330      8.97891683    -11.32436059
  H     15.84071277      4.67355035     -8.99793663
  H     10.33377896      8.46440997    -12.06720879
  O     10.60229418     10.28233622     -9.39775153
  H     16.76079255      7.15236779    -11.75158143
  H     10.04360092      9.61873602    -11.08707175
  O     11.60840923      7.11115368    -11.93939775
  H     18.16560196      6.98669977    -11.12962547
  H     10.56444778     10.52610538    -13.05895035
  O     13.44061990      6.31687477    -13.83646698
  H     15.58522730     12.14052695    -11.78616493
  H     10.36484552     11.63108615    -14.12460097
  O     18.69220475      6.02584103     -9.57894026
  H     15.18803714     11.18472276    -12.91002069
  H     13.53271919     12.79411582    -10.69934564
  O     14.66555730      8.12712858     -7.77237196
  H     11.61524392     12.01678441    -11.88780775
  H     14.47223261     13.88787736    -10.13498497
  O     13.69117832     10.46442370    -13.66940515
  H     11.52569642     11.58346195    -10.41094913
  H     11.53900905      6.13439898    -10.47444416
  O      9.90155710      9.32593220    -11.99662930
  H     16.82626401     10.49263485    -11.09400081
  H     10.87191358      5.06867293     -9.57268347
  O     11.01554988     11.23597697    -13.55107548
  H     17.33866517      9.05638582    -10.85727339
  H     15.55507379      8.64331742    -14.86185354
  O     14.45957340     12.99799066    -10.47646112
  H     13.57494639      9.52820047    -12.11663622
  H     14.91361772      8.40436600    -16.24730107
  O     11.58593591      5.69982938     -9.60520595
  H     13.80797269      9.51069414    -10.57687620
  H     14.55541868     11.37947741     -9.49756501
  O     14.71465124      8.44939304    -15.31561861
  H     11.08179989      9.55645375     -8.96347864
  H     15.55564500     10.20837669     -9.58652752
  O     14.67461767     10.45332906     -9.26031778
  H      9.96167428     10.59449829     -8.76269647
  H     14.87476469      6.23317874    -10.73660009
  O     15.06635658      6.69724858    -11.56005648
  H     12.07002150      6.73405711    -12.70179090
  H     14.58581074      7.53708802    -11.50732871
          69
 Energy    -247.93815817233246     
  O     17.16356916      9.44019426    -10.31843955
  H     16.67216903      9.06127209     -9.58027794
  H     13.97542479      2.25120035    -10.14241850
  O     16.46045433      4.45162813    -11.08455382
  H     17.95983675      8.90170563    -10.41249377
  H     13.44188987      4.05438845    -15.69469728
  O     12.44992503      5.90847020    -13.17190671
  H     15.73148971      3.82654443    -10.98633386
  H     13.06714416      5.20426557    -14.71575273
  O     13.71691415      2.22016908    -15.85652723
  H     16.96098549      4.21993299    -11.87929660
  H     15.50145224      6.97414987    -12.94495174
  O     17.80637720      4.11000056    -13.47780663
  H     13.35174738      6.08604832    -12.85693948
  H     15.57620608      5.82261179    -11.88475492
  O     18.63136402      6.79290102    -13.12266334
  H     12.07459941      6.76625425    -13.40854057
  H     15.91047744      8.08386025     -7.30063318
  O     17.56210023      6.06559513     -9.09636522
  H     14.62990767      2.29882903    -16.18759562
  H     16.44962706      7.23491347     -8.47848464
  O     11.80533264      8.54665562    -13.92960555
  H     13.26591240      1.60832376    -16.43232199
  H     16.26662522      8.79193991    -13.79459553
  O     19.33331351      7.65399089    -10.66017988
  H     17.23162267      4.48028376    -14.16506530
  H     15.47895096      8.00226979    -14.87165310
  O     17.46725458      1.42761375    -14.16889748
  H     17.88345245      3.16854558    -13.67327710
  H     16.84719901      2.15294997    -15.84326051
  O     14.91067560      1.62752804    -13.30720956
  H     18.49570550      5.84418443    -13.24544917
  H     16.47313752      3.55547985    -16.36396960
  O     14.14411269      2.86861334    -10.85038450
  H     17.93293469      7.24088873    -13.61278715
  H     15.32616556      5.17178914    -15.45689900
  O     13.53195510      5.00219349    -15.54091294
  H     17.19517605      5.43273511     -9.72899932
  H     16.45346552      6.21597798    -15.32570194
  O     15.00450923      6.49839680    -12.27172677
  H     18.26116818      6.53629299     -9.56734402
  H     13.18497408      8.16823704    -15.17797141
  O     15.85225697      7.96927906     -8.24499407
  H     11.00332201      9.04635768    -14.05316122
  H     13.72870518      6.90528479    -15.86778775
  O     16.28478481      7.98526257    -14.32850392
  H     12.29253920      8.97027153    -13.19955400
  H     14.23969362      7.21079535    -10.80270099
  O     16.33403572      2.61270062    -16.52009830
  H     20.27750459      7.78150930    -10.63000085
  H     14.38133478      7.69504305     -9.33753049
  O     16.28952930      5.27970395    -15.47030464
  H     19.12061060      7.34377579    -11.55855154
  H     16.42270013      9.93439107    -11.77864369
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  H     16.56232384      1.44041813    -13.80479554
  H     16.21469495     11.08865508    -12.78839850
  O     13.73639499      7.52675251    -10.03550344
  H     17.82930035      0.56541515    -13.98599500
  H     13.32643365      8.97638199    -11.15907056
  O     15.99959659     10.17408667    -12.62327930
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  H     14.17109556      9.82213673    -12.14061068
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  H     12.80240291      5.82507930    -10.15187672
          69
 Energy    -247.93797427601260     
  O     -3.11121530      3.07770909     -4.41423478
  H     -3.88473139      3.35233204     -4.90108218
  H     -2.07929621     -0.79689030     -0.97035080
  O      0.32019751      4.93324947      0.81232703
  H     -3.13032481      3.56197330     -3.57017647
  H     -0.10379034      1.72735276     -3.34373294
  O      0.59060034      1.19559534     -5.05834877
  H      0.01199571      4.04031493      1.02759919
  H      0.08858607      3.07995620     -2.62276539
  O     -0.44962888     -1.17449628     -0.62523022
  H      0.78326724      5.26911496      1.58993130
  H      0.22723067     -1.61205001     -3.77275097
  O      3.76839104      4.06098097      1.64185820
  H      1.45837719      0.90515416     -4.75136074
  H      1.61551994     -1.17022763     -3.28301732
  O      0.71545526      4.78155794     -3.01840804
  H      0.08546584      0.39520774     -5.25293870
  H     -1.38084626      3.59797844     -5.06570221
  O      3.12347478      1.51343316      2.84396999
  H      0.04010533     -1.40468195     -1.42921421
  H     -0.03007506      2.94234908     -5.39309654
  O      1.44528338      0.39513765      0.86905212
  H      0.17915809     -0.77020884     -0.01869684
  H     -0.58552112      5.77401196     -0.46962009
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  H      3.54366372      4.10355875      0.70395161
  H     -1.12941645      7.09040351     -1.07182230
  O     -3.08936767      4.33277936     -2.00866004
  H      3.66045634      3.14344984      1.92218785
  H      0.32010851      2.72075673      3.13861911
  O     -0.93099810     -1.14491078     -5.21679216
  H      0.09238423      5.35762822     -2.55829835
  H      1.21746555      3.83846745      3.71233574
  O     -2.99052097     -0.52464141     -1.19130469
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  H      1.77171553      4.48258906     -0.26409292
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  O      0.83625871     -1.67506890     -3.02626000
  H      2.38328992      1.96611471      3.28701168
  H      2.85310855      0.68117729     -2.92638545
  O     -0.46319625      3.80074195     -5.28737081
  H      2.07138621      0.61277319      1.57023320
  H      3.85033057      0.07642407     -3.94154583
  O     -1.02089983      6.15920016     -1.24885039
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  H     -2.93825287      0.04776999     -2.99959621
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  H      1.40495715      1.64197815     -1.78363987
  H     -2.93330010      1.21582395     -4.03542198
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  H     -2.63820296      1.20994359     -0.72683871
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  H     -2.46422017      5.02146239     -1.75682077
  H     -1.48626369      2.06952053     -1.29498040
  O     -2.81069724      0.26481520     -3.93111952
  H     -2.91276111      3.58349887     -1.42143171
  H     -1.20187662      2.26090344      0.83291011
  O     -2.21466554      2.07393252     -0.65246410
  H     -1.31742379     -1.70174873     -5.88627842
  H      0.16301843      1.65969550      1.24588707
  O     -0.46395366      2.36791190      1.44821069
  H     -1.66577664     -0.67863781     -4.77593549
  H      2.30507401      6.23982529      3.50853824
  O      1.93157401      5.50778621      3.02610368
  H     -3.57173138     -1.18685371     -0.82882405
  H      2.67020263      5.05638160      2.57775961
          69
 Energy    -247.93781939123610     
  O     14.56868416      5.43769416     -9.04416263
  H     13.72439047      5.53401668     -9.50271016
  H     11.93694842      7.83305289    -14.32461932
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  H     15.19323444      5.12674455     -9.71389637
  H     16.60264190     10.54316959    -12.17829647
  O     17.58640970      8.57659190    -14.77536445
  H     13.39297834      7.86425531    -17.58703408
  H     15.98167166      9.18460561    -12.55239780
  O     15.64012528     12.07002173    -12.04007426
  H     13.31468609      8.23988776    -16.08831834
  H     14.47860711      7.42873018    -12.86398146
  O     11.57560641      6.16870392    -13.60838950
  H     17.43844725      9.00039633    -13.91693012
  H     14.07083772      8.53865718    -11.85019175
  O     18.46651941      3.81653527    -12.42626952
  H     18.45588226      8.16047618    -14.74227288
  H     13.08843605      5.96636627    -11.57606753
  O     17.41632471      7.59790026    -10.57822260
  H     15.37100821     12.21522552    -12.95711787
  H     12.64836106      7.09341948    -10.61292047
  O     13.01527461     11.44251869    -10.90812472
  H     14.82316563     11.91853933    -11.55130113
  H     20.84851975      7.22972817    -14.68187010
  O     18.13540173      4.89328636    -14.89489218
  H     11.41395115      6.18790385    -12.65821171
  H     19.89186200      6.89622042    -13.51064792
  O     14.70136859     12.25885705    -14.73851485
  H     12.45029310      5.76843482    -13.68899516
  H     15.05636180      5.33021780    -12.46344983
  O     12.35167517     11.24658093    -13.52994614
  H     18.82057574      2.93311745    -12.47679712
  H     14.87781156      5.80237660    -13.93426150
  O     12.42699093      8.62106699    -14.59799389
  H     18.32590567      4.11945834    -13.34163585
  H     16.44974311      9.67801700    -15.75147355
  O     16.82736013      9.62031661    -12.35633425
  H     17.29095625      8.35179354    -11.17328712
  H     15.10944351      9.48036694    -16.48411364
  O     14.44255742      8.38443154    -12.73059084
  H     16.88295169      7.77616972     -9.79486350
  H     15.17577924      6.87186418    -15.94057569
  O     12.48207772      6.17023106    -10.85326176
  H     12.71024144     11.36557328    -11.83068898
  H     16.41440161      7.21088113    -15.08416029
  O     19.93126109      7.08733680    -14.46521679
  H     12.49612078     12.13482611    -10.50678138
  H     19.35019257      5.46502954    -11.91525698
  O     14.39796616      5.62050058    -13.11211928
  H     17.30327334      5.30088663    -15.16419808
  H     18.99126188      6.84239022    -11.31371098
  O     15.69863253     10.15502572    -16.12859569
  H     18.79411349      5.59979774    -14.90419674
  H     17.02598650      4.54587427    -11.56412761
  O     15.80992621      6.49119097    -15.32127163
  H     15.07328340     11.51399915    -15.24259966
  H     16.70746577      5.97658646    -11.04576151
  O     19.64185972      6.38354181    -11.86055282
  H     14.80010418     13.03306608    -15.28682197
  H     15.16212634      7.01497112     -8.58760447
  O     16.31893138      5.10718006    -11.22262492
  H     12.16367754     10.40797927    -13.96779180
  H     15.64252332      8.07823843     -7.56834120
  O     15.49412018      7.92732324     -8.49817093
  H     13.09825822     11.63437455    -14.00660123
  H     13.24632252      9.72226612    -10.31898286
  O     13.40557620      8.77386564    -10.21813966
  H     13.17323901      8.68646571    -13.98122469
  H     14.11727585      8.64474221     -9.57811453
          69
 Energy    -247.93775418360389     
  O     -3.64603020      4.59219232     -1.92893637
  H     -4.45127032      5.08150233     -1.77435548
  H      0.80172807      4.49304502     -1.98251431
  O      1.15621814      2.52664354      5.80052734
  H     -2.98545778      4.97481429     -1.33120292
  H     -2.55391826      1.51632312     -2.09493471
  O     -1.42872603      2.69267402      0.52512215
  H      0.68760692      3.10687011      5.17722076
  H     -3.39755738      2.79527790     -1.75444751
  O      0.77809999      2.80087879     -2.25029272
  H      1.08501772      2.93698560      6.65880334
  H     -1.59759632     -1.15574263     -0.15325639
  O      0.92769607     -0.55851131      1.50483402
  H     -2.01662986      2.31016573     -0.13948077
  H     -0.08804513     -0.92125160     -0.06854806
  O     -0.11280634      4.02021174      3.87203231
  H     -0.53360242      2.36303245      0.37730618
  H     -4.88878003      1.67212019      2.02327374
  O      3.30468753      1.92552715      4.02503754
  H      1.08596696      2.43428271     -1.40730491
  H     -5.81867708      2.18185565      3.13906122
  O      0.56840622     -0.22660521      5.16056385
  H      0.14728676      2.15661731     -2.58915776
  H     -3.17860896      2.42329015      3.14588335
  O      2.11850398      6.04068735      0.63454674
  H      1.66454507     -0.71184397      2.10883926
  H     -1.96718174      2.53945583      2.17766626
  O     -1.57519864      5.34761812     -0.20008903
  H      0.14764138     -0.41078037      2.05921396
  H     -1.05299041      0.14370852     -3.64010769
  O     -1.30758559     -0.18660149      3.16929882
  H     -0.89002659      3.47187460      3.68731491
  H     -0.94282290      0.07892101     -2.09981304
  O      0.80967845      5.44341515     -1.76440276
  H     -0.25142994      4.86967605      3.42918140
  H     -3.10252521     -2.32211442      1.57686924
  O     -3.19358915      1.89052239     -1.47692542
  H      2.70285133      2.13706634      4.75021968
  H     -2.33030084     -1.05671951      2.00921276
  O     -0.82610492     -0.93709384     -0.69019084
  H      3.07864799      2.54931694      3.32240265
  H     -4.22847066      1.06402618     -0.18344960
  O     -4.91833586      2.21629986      2.82951287
  H      0.72182019      0.68028154      5.45377260
  H     -4.07606031     -0.10938314      0.80578541
  O     -2.21169737      2.42910210      3.11048056
  H      1.37641207     -0.49843997      4.70832183
  H      1.33956334      3.78384846      2.75037472
  O     -1.06407383      0.68414216     -2.85446101
  H      2.82274739      6.66257658      0.46665726
  H      2.22479701      4.50261025      1.69251542
  O     -2.83075343     -1.45765604      1.27802997
  H      1.71455421      5.83798383     -0.22388859
  H      1.21365087      1.00822479      0.68384509
  O     -4.62212380      0.65911924      0.60077818
  H     -1.53021694      4.43100457      0.11617502
  H      1.62435365      2.48813199      0.94722341
  O      2.12240798      3.68250037      2.18952125
  H     -0.80964497      5.46753936     -0.77553879
  H      3.68007161     -1.20909337      3.68384975
  O      1.24384580      1.88995245      0.29037351
  H     -0.74313072     -0.29350883      3.94855416
  H      3.12280767      0.23419805      3.65774547
  O      2.89316282     -0.70073239      3.50802343
  H     -1.65509122      0.71575124      3.19530008
  H      0.53834215      6.33649774      1.79453797
  O     -0.32106560      6.22137375      2.21545728
  H      0.82331372      5.91300754     -2.59435628
  H     -0.92464447      6.03801998      1.48394161
          69
 Energy    -247.93774712110479     
  O     -5.73160558      2.10302389      0.40434465
  H     -4.85846550      1.72037893      0.22287412
  H     -5.84448909      0.84423181      1.84503489
  O     -3.73189484      2.99391983     -3.57730843
  H     -5.61151694      3.05690715      0.35419743
  H     -0.94050866      3.27162741      1.03591448
  O     -1.10676536     -1.84792987      1.54262037
  H     -4.04350843      2.08162316     -3.58820236
  H      0.61441104      3.22201372      1.16456863
  O     -0.24177372      0.51874097     -2.02449830
  H     -2.80119673      2.98312387     -3.32523285
  H     -2.62532301      2.74178771     -0.03118573
  O     -4.83377271      0.33633013     -3.58506161
  H     -0.54264527     -2.50737740      1.93969542
  H     -3.15154992      4.19437903      0.05112575
  O     -3.22058625     -2.58259109     -0.32406333
  H     -0.52308657     -1.13617544      1.23045839
  H      3.97381438      0.49848733      0.00203259
  O     -2.67214507     -0.64946580     -2.13514011
  H     -1.05315228      0.01728546     -2.19036594
  H      2.92195917      0.95868479     -1.03660345
  O     -1.08714587      3.13178860     -2.45389868
  H     -0.04308310      0.41791113     -1.08467871
  H      2.56960142      2.70149274      0.19567519
  O      0.44794708      0.28332239      0.70455323
  H     -5.45067798      0.25197614     -2.83540506
  H      1.94669732      3.80834837     -0.67611448
  O      2.35434674      1.31516029     -2.64842585
  H     -5.29466492      0.02265282     -4.35853573
  H     -6.35737163      0.84257342     -0.83280866
  O     -2.90003272      0.02584892      2.59450230
  H     -2.56691449     -2.41896093      0.36537839
  H     -6.25822548     -0.69522865     -0.82683724
  O     -5.69085681      0.03980777      2.35774866
  H     -4.09491605     -2.42286486      0.05523255
  H     -0.88158405      2.32762024      3.10291813
  O     -0.21200770      2.88468855      1.54009768
  H     -2.89671397     -1.43802444     -1.61792647
  H     -1.22605134      2.48010567      4.59508634
  O     -2.34650540      3.67310210     -0.03959485
  H     -3.41248003     -0.42276975     -2.71007739
  H     -6.51522482     -2.61815177      0.81654655
  O      3.08899380      0.84217348     -0.08353803
  H     -1.50845574      3.43027201     -1.63491634
  H     -5.83692027     -1.29941159      1.25239176
  O      2.10271677      3.54459776      0.23941183
  H     -0.82143229      2.20932100     -2.32248316
  H     -3.00865297      0.45755065     -0.67006547
  O     -6.39698513      0.06426402     -1.40495622
  H      0.15211715      1.14385198      1.03355272
  H     -3.05364777      0.66261117      0.89185703
  O     -1.34290036      1.90357716      3.84474013
  H      1.39533217      0.36428343      0.53067937
  H     -5.25959818      5.62489294      0.50694832
  O     -5.85722135     -1.97885347      0.55541105
  H      1.46906065      0.92356721     -2.61389887
  H     -5.09189632      4.93741686     -0.87045609
  O     -3.17428893      1.09354024      0.03500890
  H      2.20851621      2.26432723     -2.74475719
  H     -4.73090549      4.28206900     -2.97160970
  O     -4.93182756      4.83520703      0.08536870
  H     -2.31002400     -0.71099597      2.39564151
  H     -5.76537941      5.37049962     -3.30810378
  O     -5.27567506      4.98987014     -2.58485880
  H     -2.39599872      0.66994236      3.11389096
  H      0.56223938      3.81842339     -2.56420514
  O      1.50475192      4.05349717     -2.52818059
  H     -4.75264882      0.04400382      2.59513835
  H      1.61748104      4.81736618     -3.08793499
          69
 Energy    -247.93772465751971     
  O     16.14916586      3.40485332     -9.36631156
  H     15.93900986      4.04008998     -8.67173052
  H     16.73359385      6.67260487    -15.56276683
  O     18.88456034      8.15407701    -12.85861751
  H     15.31736625      3.25149138     -9.83547925
  H     12.76616771      7.47149842    -13.83470433
  O     13.52561083      7.98891916    -12.29763190
  H     18.46820423      7.66414503    -13.57596251
  H     12.89163444      7.78193672    -15.33988945
  O     17.43711488     10.33027943    -12.21168709
  H     19.01142052      7.52315999    -12.13341470
  H     14.62106547      5.20802433    -11.02710342
  O     16.66172191      7.06691172     -9.36917658
  H     13.26663037      8.47700986    -11.50792444
  H     15.67290597      5.57956141    -12.08414500
  O     18.98107150      6.35582520    -10.78009539
  H     14.05980113      7.24105112    -11.98844991
  H     17.46902717      3.55067947    -10.50631849
  O     11.58102937      5.06589147    -13.04173882
  H     18.02211222      9.57321386    -12.40162664
  H     18.73760399      2.89440643    -11.09724445
  O     13.35222885      5.00741446    -16.12768250
  H     17.96707979     11.11655473    -12.30945156
  H     12.73880538      9.91392751     -9.42823164
  O     15.28384274      5.44396721     -7.53518976
  H     16.14243912      6.71752980    -10.10982591
  H     14.14807300      9.39833517     -9.80895108
  O     14.16248093      8.67256859    -16.28962475
  H     16.34523505      6.59320690     -8.59167386
  H     12.43608195      6.01332125     -9.23825795
  O     15.66939765      6.28571719    -17.07433217
  H     18.28385601      6.65538315    -10.18093748
  H     13.08384614      7.40532437     -9.03484885
  O     17.07018136      6.88418994    -14.68406757
  H     18.82146733      5.41414048    -10.90710788
  H     16.15158924      9.63532759    -13.35165239
  O     12.46212438      7.18501634    -14.70929465
  H     11.64361895      5.84258530    -13.60939802
  H     14.84656507      8.79543496    -13.27644871
  O     15.10767438      5.95423597    -11.39641140
  H     12.37383542      4.54695543    -13.23181723
  H     16.38434387      9.95730689    -10.67727192
  O     18.15400411      3.64252117    -11.19267235
  H     13.02891833      5.76301245    -15.60588570
  H     16.22718749      8.81575727     -9.65005235
  O     13.20241616      9.16011293     -9.78221382
  H     12.61396130      4.70813655    -16.65411302
  H     10.51932247      4.57167847    -10.10651555
  O     13.06231790      6.50349345     -8.69243792
  H     14.46041265      5.80425904     -7.91158069
  H     11.37207402      5.03654953    -11.30915860
  O     15.54686277      9.09354682    -13.87306338
  H     15.16316007      5.41451015     -6.59004316
  H     16.88545072      5.32352385    -13.78168466
  O     15.84356320      9.65659793     -9.93829711
  H     14.67640724      8.98907525    -15.53223542
  H     17.22135828      4.23555856    -12.68248662
  O     11.38589570      4.88989498    -10.34671945
  H     14.71833623      8.01327079    -16.71891153
  H     12.91593433      3.80727657    -10.60447926
  O     16.55014489      4.55412629    -13.29998670
  H     14.91011971      5.75519678    -16.78714954
  H     13.78404985      3.33742695    -11.80991952
  O     13.78631543      3.47209047    -10.85313495
  H     15.93365868      5.94928703    -17.92753029
  H     14.90376239      3.87855086    -13.56906683
  O     13.97460609      3.63207725    -13.69830430
  H     16.54254526      7.63415802    -14.37140147
  H     13.77218726      3.90663561    -14.59998254
          69
 Energy    -247.93763331035240     
  O     16.88218798     10.96417781    -11.13877678
  H     16.10676643     10.62763655    -11.61078322
  H     13.62796823      9.89218957     -7.54648360
  O     15.29722034      5.88344504     -7.08299177
  H     17.64642789     10.44408535    -11.42078687
  H     11.22161815      9.46052244     -8.16491217
  O     16.75990331     13.24219177     -9.66455746
  H     15.53557164      6.67916737     -6.57331995
  H     12.21064819      9.26976381     -9.33831297
  O     12.98708932      6.49297104     -8.63990925
  H     15.34973897      5.14658567     -6.48056766
  H     16.58389072      7.67912437     -9.20563517
  O     14.77799809      9.74385227    -12.41382260
  H     16.45986545     13.98038731    -10.18885439
  H     16.24323787      6.27956042     -8.64011278
  O     19.05472944      9.30780324    -11.68327158
  H     16.77279297     12.46807269    -10.25345726
  H     18.10390319      8.49607340    -13.14892842
  O     20.84144373     10.83705279    -10.15628770
  H     12.69712408      7.38281530     -8.40379366
  H     16.86309013      7.57436382    -13.15544197
  O     19.24595800      6.86459793    -10.26420197
  H     13.73089180      6.27801241     -8.06524518
  H     17.56955238     12.26906662     -6.29162896
  O     12.87236904      6.30271828    -11.33756250
  H     15.03796198      8.83694622    -12.19424201
  H     18.63583094     12.52824529     -5.19735387
  O     16.00746279     12.50609551     -6.99053299
  H     14.97424222      9.86115712    -13.35506703
  H     15.66600475      9.60762247    -15.91240804
  O     12.41063365      9.13033055    -11.05969834
  H     19.73105832      9.86964767    -11.28166499
  H     16.43291698      9.15776994    -14.65655472
  O     14.49321000     10.14351885     -7.20273775
  H     19.10551137      8.46255373    -11.21715199
  H     17.23203097      9.48614291     -8.20111301
  O     12.11929863      9.21214970     -8.36997423
  H     20.31853781     11.47836631     -9.64209277
  H     16.72217370      9.98281184     -9.61066204
  O     16.66808673      6.72677324     -9.38026210
  H     21.67515968     11.25692960    -10.35058331
  H     19.19462881     12.42412485     -7.75330664
  O     17.48920425      8.03364641    -13.73156867
  H     18.35000860      6.71743079     -9.91816627
  H     18.52155032     12.89502915     -9.05299358
  O     18.49064256     12.08515351     -6.02837032
  H     19.51410891      6.05522602    -10.69233683
  H     16.85121541      8.49928162     -5.99957016
  O     15.75280813      9.77454217    -14.97805223
  H     12.91816952      6.29266157    -10.36371618
  H     15.35786717      8.86268378     -6.08326003
  O     16.54666281      9.38220663     -8.87789796
  H     12.26760327      5.61161419    -11.59278268
  H     14.61391059      6.72423583    -11.84182933
  O     19.34965131     12.55084953     -8.69722768
  H     16.12889101     12.78623082     -7.90607635
  H     15.91828159      6.89239221    -11.03856919
  O     15.96545197      8.16617850     -5.80118366
  H     15.38402533     11.76752786     -7.00178772
  H     20.12548604      7.93830519     -8.94625807
  O     15.51236991      7.07520437    -11.89641347
  H     13.15059504      9.52144285    -11.54282107
  H     20.67291190      9.37613036     -8.92630962
  O     20.42721096      8.63841787     -8.35457372
  H     12.43917104      8.18822521    -11.26711385
  H     18.47079266     10.27861809     -6.42692808
  O     18.32705515      9.38448526     -6.76041904
  H     15.14440590      9.85495744     -7.86157422
  H     19.13268717      9.09930818     -7.21628769
          69
 Energy    -247.93752428412984     
  O     15.82032617      9.58535796    -17.58212389
  H     15.12342099     10.10740876    -17.16394589
  H     17.28139352      5.37241442    -16.18307652
  O     15.95803595      5.77853214    -13.01854330
  H     16.60001370     10.15335525    -17.66851155
  H     19.02380630      5.96931660    -11.45133896
  O     18.19270158     14.47165260    -13.20411663
  H     16.11384659      5.59145895    -13.95598631
  H     19.05667671      6.49873535    -12.90262532
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  H     18.05875490     13.94018263    -14.00091860
  H     16.50448442      8.77283806    -16.11023870
  O     17.95177043     11.89163441    -10.60513133
  H     17.40372901     14.32558041    -12.66784453
  H     14.25845378     11.35681706    -15.26970524
  O     15.68365476      9.36471261    -13.11084121
  H     19.77109672      9.71974494    -14.99830725
  H     13.13556129     11.48139365    -16.32098316
  O     17.70650006     12.40465976    -15.06557368
  H     18.62942824      8.82176123    -15.54148851
  H     18.31752413      8.38464427    -11.75719442
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  H     14.07247748      7.21499848    -16.77613793
  H     17.18825960      9.35850581    -12.15290139
  O     13.80246105      7.37035386    -12.76899550
  H     15.12302069      7.74297858    -17.75234823
  H     13.28761450      7.86360854    -14.56186960
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  H     13.30190516      9.04916468    -15.55494283
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  H     18.78154403     12.27804342    -10.91151210
  H     20.93692368     13.60515684    -11.73716654
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  H     14.97437334      8.75269301    -12.87866286
  H     19.54461241     13.67279080    -12.41165526
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  H     16.12144362      9.00536814    -13.89894781
  H     19.07985850     10.28636250    -12.94907576
  O     13.83708059     10.90798349    -16.01967721
  H     18.31246302     11.84499777    -14.55976587
  H     19.94167626     11.57007700    -13.07106982
  O     18.07831323      9.31887634    -11.77186713
  H     16.81951075     12.23931698    -14.71917632
  H     16.64123514     12.88403183    -11.21317599
  O     13.12146973      8.10548956    -15.48041306
  H     19.63385019      5.91961432    -15.19140196
  H     15.51421744     13.90465579    -10.92897900
  O     20.18314144     13.07574526    -11.98177991
  H     19.95599116      7.37664325    -14.82206925
  H     19.64701946      8.15512145    -17.28560222
  O     19.56027390     10.84368358    -13.57881906
  H     14.53631467      6.73082359    -12.83175592
  H     18.98255086      8.14897777    -18.67067376
  O     15.99014331     13.47400594    -11.63418873
  H     13.17149421      7.00782969    -12.15383118
  H     15.34850372     11.03004979    -13.51765719
  O     19.46356514      7.59711180    -18.05601649
  H     19.40697991      4.45463338    -17.35199517
  H     15.35140328     12.52799947    -13.10617463
  O     15.21155371     11.93159489    -13.85163640
  H     19.17603658      5.98346533    -17.38062055
  H     17.98285540     11.65816604    -16.74892850
  O     18.18865267     11.00423632    -17.43313281
  H     15.84471846      5.96749916    -16.40215855
  H     18.82352623     10.41787605    -17.00956688
          69
 Energy    -247.93732551792715     
  O      0.00588395     -7.18246099     -4.56843187
  H      0.85667184     -7.56638133     -4.80558519
  H      0.35012479     -6.40772867     -1.59919044
  O      0.46995773     -4.48281422     -4.27910954
  H     -0.09273788     -7.34578041     -3.61898483
  H      4.04214420     -8.55795424      2.17934092
  O      1.93391706     -7.74825733      4.31557724
  H      0.14483028     -5.36691271     -4.50370865
  H      4.68396436     -9.67120981      3.03555400
  O      1.08869059     -4.71715008     -1.55477736
  H      0.56178920     -4.46674512     -3.31589889
  H      0.92714433     -2.68674824     -4.48437367
  O      2.28168571     -4.31954221      2.19805468
  H      2.73677939     -8.21079237      4.04332163
  H      2.26262374     -2.00389731     -4.83514021
  O      3.64803471     -5.51199216     -2.35752430
  H      2.21971825     -6.89065836      4.65679480
  H     -0.34708811     -7.61267250      1.10001541
  O      3.07662071     -5.10982361     -5.04809822
  H      1.97878227     -4.99550851     -1.81539276
  H     -1.72655332     -8.29168725      1.18675796
  O      2.77966997     -8.15067800     -2.09915810
  H      1.21999908     -3.96924168     -0.96156775
  H      1.32413038     -5.91852769      1.91938792
  O      1.84564351     -0.66802347     -2.02804508
  H      3.14049859     -4.66989174      1.91454629
  H      1.26027326     -7.22737466      2.75313344
  O      2.83500075     -7.88478937     -4.95190453
  H      2.05901984     -3.61550505      1.57699081
  H      2.97977279     -2.88417170     -0.19666951
  O      4.11695913     -2.52397298     -5.19396077
  H      3.47698048     -6.45139954     -2.21277849
  H      1.89269919     -1.86022100     -0.58977037
  O      0.16259514     -7.34145198     -1.76965607
  H      3.56192194     -5.34835234     -3.30578189
  H      2.53043852     -7.53334529      0.97094447
  O      4.30294769     -8.79778552      3.08341290
  H      3.53173421     -4.27512982     -5.21841237
  H      3.27416887     -8.07764390     -0.28499936
  O      1.39813060     -1.84383364     -4.43899740
  H      2.15154967     -4.88608026     -4.86311213
  H      4.86064417     -4.09499371      0.10635553
  O     -1.04134265     -8.04164472      0.57319589
  H      2.88362549     -8.26325804     -3.05168014
  H      4.35668947     -4.24853374     -1.33271451
  O      1.07584990     -6.84994764      1.87884324
  H      1.83673541     -7.97052660     -1.95346511
  H      3.68506036     -1.17320531     -2.39900608
  O      2.07387562     -2.60097344      0.00204096
  H      1.52514873      0.22991257     -2.05044922
  H      4.71791794     -2.22373700     -1.94737024
  O      3.39290693     -7.82298058      0.63750488
  H      1.60078219     -1.07199264     -2.87962770
  H      2.63968119     -4.41026902      5.47351508
  O      4.61878956     -3.58377115     -0.67651407
  H      3.20490014     -8.33956581     -5.70510767
  H      2.56791255     -4.70667173      3.95979877
  O      4.49903783     -1.61659227     -2.66672069
  H      2.99801028     -6.93804722     -5.09412137
  H      4.36526305     -6.24578112      1.01079179
  O      2.83006602     -5.07719134      4.81833068
  H      4.33485372     -2.21277509     -4.29683896
  H      5.08536721     -5.63463329      2.24595788
  O      4.70769004     -5.42160745      1.38060370
  H      4.67792155     -2.04070733     -5.79479924
  H      5.07692299     -7.16537327      3.76756061
  O      5.31732656     -6.24326114      3.92627592
  H     -0.35993906     -7.66727598     -1.02410955
  H      4.56412026     -5.84532268      4.38058812
          69
 Energy    -247.93694531224207     
  O     19.25145764     10.01662823    -14.86482939
  H     19.75116947      9.27727274    -14.49607715
  H     19.39646804      3.82108809    -12.69044955
  O     21.00711922      6.49548991    -11.24080985
  H     18.59163768      9.63003946    -15.45259122
  H     15.50847229      9.27568290    -14.00123906
  O     15.08845017      8.85774808    -10.20890104
  H     21.89858970      6.67187634    -10.95048268
  H     15.74047396      8.93558801    -15.49512413
  O     12.53789115      9.78146440    -14.00473139
  H     20.87219739      7.00947503    -12.05432480
  H     17.29935784      8.06357087    -12.69605955
  O     17.27131585      8.74961936    -16.55404912
  H     14.96030196      7.93420330    -10.46918508
  H     17.92120723      6.95793781    -11.79327555
  O     11.68196510      7.07339891    -13.63072059
  H     14.24514338      9.29449763    -10.39740854
  H     15.12397127      5.80840316    -14.13278735
  O     18.42847294      6.55975026    -10.08401798
  H     13.41120658      9.56132969    -14.36831052
  H     14.62120872      7.26610065    -14.30213394
  O     14.38063667      6.31759991    -11.14729192
  H     12.21820307     10.53011088    -14.50256325
  H     16.58000649      8.86655501     -9.19563283
  O     16.51004435      4.58911199    -10.46792778
  H     17.58906335      7.83054760    -16.49858397
  H     17.37552035      9.19763575     -7.92324499
  O     17.68224096      3.11014880    -12.38125731
  H     17.28718560      8.98551660    -17.47848943
  H     21.44645836      5.02141024    -15.75155609
  O     20.31516223      7.67338862    -13.65579375
  H     11.79711193      8.00986599    -13.83563741
  H     20.53085890      4.91945923    -14.50844088
  O     20.23870524      4.22723657    -12.93129629
  H     12.53373357      6.66456342    -13.84142211
  H     12.58678527      9.77535528    -12.04955600
  O     15.05991939      8.98996076    -14.81423373
  H     18.19650416      7.34283666     -9.56291102
  H     12.17662788      8.78792412    -10.94396163
  O     17.76405070      7.21613611    -12.71140990
  H     19.37104414      6.58237641    -10.28571125
  H     18.84704160     12.24525304    -12.58690398
  O     14.37700500      6.39612437    -13.95834718
  H     14.42987997      6.34893554    -12.11318517
  H     18.65994422     11.08460437    -13.58335970
  O     17.44516164      8.76008517     -8.76776603
  H     13.44563905      6.41070774    -10.92482354
  H     17.13506227      5.84480531    -13.65996429
  O     20.70574604      5.43489563    -15.31679804
  H     15.71653403      5.11103687    -10.64286807
  H     17.03591854      4.30108955    -13.68097168
  O     12.61222579      9.63666626    -11.09531428
  H     17.18802603      5.21852164    -10.18446872
  H     19.05627370      5.93909718    -16.11947298
  O     18.24884388     11.54532471    -12.83099051
  H     17.48324462      2.18594693    -12.26025144
  H     17.60099751      5.71883282    -15.68889441
  O     16.78884827      5.09357124    -14.17002300
  H     17.23864654      3.59077582    -11.65803994
  H     10.82980478      6.53630027    -10.57493131
  O     18.15106863      6.20211928    -16.32123961
  H     19.39033705      7.52520175    -13.39784449
  H     11.54116546      6.92343727    -11.89447078
  O     11.62456455      6.93020670    -10.92346320
  H     20.53135907      6.99809260    -14.31174332
  H     16.99646673     10.34619927    -12.52139420
  O     16.38581506      9.59508824    -12.54246772
  H     20.46995985      4.84198605    -12.22658604
  H     15.96604294      9.48524241    -11.68092307
          69
 Energy    -247.93683068895018     
  O     16.77464690     10.70289095    -13.16907264
  H     17.15803101     10.25950990    -12.39459500
  H     14.10742128      7.59771125    -14.30138363
  O     17.24239811      8.20150832     -7.16895557
  H     17.45588148     11.27595913    -13.51402371
  H     14.33523333     12.02648321    -10.49759170
  O     15.03562275      4.93117553    -10.70930280
  H     16.79519770      8.96039482     -7.56705065
  H     13.57267220     12.00571113     -9.15982335
  O     11.43292730      5.77692950    -10.40254285
  H     17.96625648      7.99059012     -7.77116815
  H     16.14438048      9.09658114    -14.24363894
  O     17.39597154      5.23798458     -9.16367855
  H     14.39639595      4.74229080    -11.40682379
  H     15.99311108      7.73139874    -13.58617814
  O     15.87015619      5.88395674     -6.82399654
  H     14.53340079      5.30273298     -9.96755598
  H     18.48819038      6.62003870     -9.32225740
  O     17.62649442      9.22070442    -10.95017797
  H     12.07157171      5.78846090     -9.67959116
  H     19.94179154      7.12674726     -9.19762918
  O     10.63922275     10.99490200    -10.92204130
  H     11.89053204      5.37823073    -11.15224166
  H     14.32563692      5.93026515     -7.89664500
  O     16.01700992     10.11792449     -8.79123412
  H     16.71517809      4.96030963     -9.78838020
  H     13.55579269      7.07001827     -8.58405352
  O     13.47471061      8.77892081    -11.45818629
  H     16.93733447      5.32965762     -8.31861421
  H     15.01449664     11.20938216    -12.70080218
  O     10.69336677      8.24903944    -11.39137187
  H     15.96298324      5.57657497     -5.92616610
  H     13.46025424     11.49374308    -12.83543493
  O     13.26794344      7.33031691    -13.89982889
  H     16.31594430      6.74902076     -6.87176232
  H     11.69853290      8.35625461    -14.31267736
  O     14.42975527     12.21049990     -9.55307720
  H     17.02032641      8.51869249    -11.24074873
  H     10.62675902      8.64498993    -13.25519801
  O     15.83295317      8.20253075    -14.41711877
  H     18.28879195      8.76185723    -10.41969159
  H     11.47295669     10.62743032    -13.85440433
  O     19.03899533      7.42255747     -9.28208685
  H     10.42841998     10.05647503    -11.03064108
  H     11.33388424     12.13098046    -14.18480881
  O     13.66569310      6.10817073     -8.57902253
  H     10.96858470     11.29580678    -11.77524634
  H     11.43887087     11.16151280     -9.38877192
  O     14.18371566     11.31335380    -12.22042778
  H     16.57650613      9.89911861     -9.54670863
  H     11.36010657     11.53271003     -7.88918180
  O     10.97978882      8.96367331    -14.09734702
  H     15.56995432     10.95390519     -8.99165781
  H     12.68537333      4.17935191    -13.28421874
  O     11.76015297     11.51931969    -13.58998266
  H     13.70469938      9.68178359    -11.72102856
  H     13.08500680      5.66714185    -13.19067008
  O     11.94013493     11.17142520     -8.55413117
  H     13.47220119      8.75204953    -10.49042509
  H     12.92829554      9.59478054     -8.55087856
  O     12.99597172      4.84778477    -12.67785146
  H     11.62156700      8.51957669    -11.43052910
  H     14.44033282      9.25176684     -8.67811179
  O     13.54850709      8.87568182     -8.72733097
  H     10.72345509      7.36427242    -11.00252902
  H     15.69575721      6.45812884    -11.40476969
  O     15.85908819      7.34301301    -11.75212389
  H     13.22192744      7.81759369    -13.06517422
  H     15.03028153      7.83017625    -11.65103285
          69
 Energy    -247.93676910045923     
  O     11.30187589      8.93805042    -14.10871660
  H     11.79361169      8.62443452    -14.88147481
  H     19.69948842      9.28943571    -14.74006356
  O     16.91953997      7.06799821    -13.67419767
  H     11.52322214      9.87119689    -14.01716773
  H     13.84593735     11.14916359    -16.83152905
  O     16.51271111     11.12347314    -11.32956488
  H     17.42552635      7.72168010    -13.17425933
  H     14.93857768     11.64695809    -15.87405277
  O     16.67283327     10.87791812    -15.27050602
  H     16.41038730      6.57758279    -13.01440575
  H     15.58897839      8.20531631    -14.15064737
  O     13.97635438      5.47883439    -16.14158652
  H     15.60652761     10.87609725    -11.56565192
  H     14.30596835      8.63361289    -14.94090828
  O     15.60803557      8.22059729     -8.68922811
  H     16.77117584     11.83137639    -11.93481401
  H     11.39665845      7.69675355    -12.90839971
  O     15.48327952      6.04218986    -11.53591775
  H     17.56114487     10.57659518    -15.02256301
  H     10.63172408      6.66999956    -12.03983484
  O     14.02508656     10.31308869    -12.18596788
  H     16.05039515     10.21663556    -14.92780727
  H     12.79686237      5.84742146    -13.10611310
  O     16.39096817      9.20145406    -17.63926687
  H     13.71566825      4.65199390    -16.53823827
  H     14.23557433      5.39027945    -12.80613714
  O     17.64107770      6.98049246     -9.92560813
  H     13.83607390      5.38497090    -15.18162581
  H     16.90910056     12.29207023    -14.07949171
  O     16.55883403      6.71340715    -16.43605903
  H     15.78118131      9.16238541     -8.54658668
  H     17.85501340     13.41018240    -13.62572012
  O     19.06989684      9.90034063    -14.36293825
  H     14.81280784      8.15904533     -9.23250663
  H     18.08054643      8.28407243    -11.21400891
  O     13.99652603     11.71523180    -16.06416674
  H     16.24948290      6.15191600    -10.96015811
  H     17.58152369      9.67919950    -11.68148772
  O     14.97285343      8.93130376    -14.31042997
  H     14.84672513      6.71687046    -11.25517570
  H     16.39842392     11.08327591     -9.52302782
  O     11.50736389      6.96769747    -12.27163214
  H     13.37030958     10.89274366    -12.59030291
  H     16.06007842     11.76991405     -8.19002293
  O     13.54084003      5.35526748    -13.47492924
  H     14.36302881      9.76632332    -12.91487443
  H     14.77579772      9.56473069    -18.08709119
  O     17.08747022     12.91028219    -13.35549660
  H     16.50324816      8.31083586    -17.27180577
  H     13.67598014      9.91854994    -19.12079018
  O     18.13012785      8.92315624    -11.93583563
  H     16.65465979      9.81656956    -16.94755067
  H     13.73777081      8.85059206    -11.14305286
  O     16.24141593     10.91860658     -8.57979397
  H     18.21270774      6.54447583     -9.29988456
  H     12.82973541      7.60574100    -11.11386211
  O     13.83256808      9.79248382    -18.18946446
  H     16.94489954      7.42731606     -9.40770519
  H     12.86884757     11.69873934    -14.69766044
  O     13.62547014      7.98663043    -10.72201600
  H     15.72976989      6.22068100    -16.42221860
  H     11.77081938     12.46186290    -13.92638482
  O     12.26886870     11.64868279    -13.93316085
  H     16.84755122      6.74963534    -15.51446952
  H     13.21140151      8.60670314    -16.92519770
  O     13.00373031      8.09581435    -16.13243674
  H     18.88914804      9.58082195    -13.46512892
  H     13.28200756      7.18137793    -16.27226691
          69
 Energy    -247.93645110444635     
  O      7.34565295     -2.47073772      7.40138009
  H      7.01231338     -1.57604432      7.53618029
  H     13.49736529     -1.21905531      7.94810363
  O     12.96272026     -2.70676593      7.19204268
  H      8.27523846     -2.46450154      7.66191641
  H      7.13896455      0.78125079      7.84047320
  O      9.23577229     -0.40642351      1.74351808
  H     12.97565015     -2.66886649      6.22956599
  H      5.68314622      0.44427046      8.24308532
  O      9.14734299      2.37104768      1.44976278
  H     12.03376284     -2.77740269      7.44931534
  H      8.10492239     -1.75895133      1.43134993
  O     11.62041711      1.96395265      2.51239709
  H      9.23671381     -0.37411485      2.71413005
  H      7.27528134     -2.65246466      0.48032800
  O     12.00424288     -0.82534091      1.76083714
  H      9.09690942      0.50476059      1.45654042
  H     12.58540554     -1.65420145      3.40074770
  O     10.96965943      0.40186497      7.89183811
  H     10.05451923      2.32020711      1.80191524
  H     13.10560654     -1.11153373      4.73902406
  O      8.52926264      1.77951368      8.05692170
  H      9.15242588      3.03777147      0.76797605
  H      6.24906551     -2.03630581      2.79599179
  O      7.69383585      2.86367822      3.91538975
  H     11.95460647      1.08971014      2.27973859
  H      5.89600343     -2.55378637      4.20162911
  O     11.05299495      1.66086493      5.30421975
  H     11.54969812      1.97171432      3.47455408
  H     10.36058982     -1.38224095      7.81430384
  O      9.22660526      3.64481814      5.98723047
  H     11.03949750     -0.77688602      1.67109110
  H     10.11996555     -2.50546693      6.76383860
  O     13.66074596     -0.31615501      8.27693079
  H     12.34387305     -1.11365719      0.91618944
  H      7.81325683     -4.22341254      4.10535666
  O      6.38049722      0.20425449      7.63865869
  H     11.03534735      0.79126511      7.01090190
  H      8.20208870     -3.72813650      2.69939333
  O      7.48526681     -2.50586668      1.39923537
  H     11.87729178      0.24102769      8.18042391
  H      9.49196770     -1.10552741      4.73903264
  O     12.74206357     -1.90643882      4.31809488
  H      9.36268759      1.30711953      8.18405830
  H      8.33753327     -0.02643284      4.68788678
  O      5.77224918     -1.80641080      3.60173609
  H      8.71208262      2.48014699      7.41986412
  H     13.75872913      0.29724959      6.45645945
  O     10.15257828     -2.32124246      7.71772345
  H      8.09699321      2.68845966      3.05834005
  H     12.81569148      0.98389938      5.44673917
  O      8.54323872     -4.19492609      3.47107658
  H      7.20699736      2.06635014      4.16958507
  H      6.21878877     -0.29604370      4.39597344
  O      9.26210182     -0.20480608      4.47047015
  H     10.53674105      2.43685575      5.55893516
  H      6.41745479      0.38342792      5.79337163
  O     13.60214983      0.42798749      5.51306139
  H     10.42591495      0.99352314      4.97710450
  H     11.09400040     -2.53310990      4.70096404
  O      6.61376167      0.46304769      4.85195594
  H      8.63734858      3.42305079      5.24275110
  H      9.73150494     -3.30665302      4.43781127
  O     10.19565518     -2.69090672      5.02199054
  H      9.22072902      4.59393906      6.07441714
  H      6.76509917     -3.44253378      6.09849590
  O      6.42190603     -3.95115268      5.34177019
  H     14.32967872     -0.38441396      8.95210285
  H      5.87640486     -4.64357653      5.70497514
          69
 Ord_Energy   -247.936386    
 O    1.55067754       10.2896814      -12.1165009    
 H    1.52083242       10.1229734      -11.1634474    
 H    2.43130612       10.6490450      -12.2843790    
 O    1.61165202       10.0090742      -9.33953094    
 H    2.57826972       9.98697186      -9.29659271    
 H    1.32856643       10.8348417      -8.92614460    
 O   -3.95584869       11.1902695      -11.5229349    
 H   -3.57513714       11.2668037      -12.4057064    
 H   -3.19795609       11.1024265      -10.9212580    
 O    3.49456716       13.7164593      -10.6219177    
 H    2.56825495       13.9962378      -10.6236591    
 H    3.70361590       13.5311213      -9.69878197    
 O   -4.63011074       8.90927505      -7.83143711    
 H   -4.53970385       8.75725651      -8.78814125    
 H   -5.28351212       8.29044533      -7.51570702    
 O   0.919035017       12.4977083      -8.17231846    
 H    5.31676300E-02   12.4290600      -7.75423479    
 H   0.831108510       13.1150608      -8.91574001    
 O   -1.66331983       11.0051279      -10.0442429    
 H   -1.12625098       11.4548006      -10.7098522    
 H   -1.30786657       10.1202717      -9.89642620    
 O    3.67175674       12.7871456      -7.91325855    
 H    3.94874501       13.1433678      -7.07277250    
 H    2.70561743       12.6960649      -7.87095642    
 O   -4.51916027       11.7130413      -7.34206057    
 H   -4.66488409       10.7687330      -7.48302937    
 H   -4.85872412       12.1578150      -8.12827015    
 O   0.758547068       14.1607075      -10.3784704    
 H   0.341722071       13.6185293      -11.0623121    
 H   0.214104667       14.9519310      -10.2612638    
 O   -4.30789471       8.56777859      -10.5123091    
 H   -4.33467960       9.41730595      -10.9703112    
 H   -3.55483174       8.08814812      -10.8771858    
 O    4.31958532       10.4080420      -9.40412807    
 H    4.27342796       11.2015743      -8.85473633    
 H    4.38990974       10.7161932      -10.3162422    
 O   -1.82245994       12.1027155      -7.53505325    
 H   -2.75757170       12.0342455      -7.28459072    
 H   -1.76838815       11.7402811      -8.43550873    
 O   -1.88596463       7.30523872      -11.4024277    
 H   -1.75524807       6.36058807      -11.4308271    
 H   -1.39434707       7.63439465      -10.6282883    
 O    4.07931423       11.5160341      -12.0861254    
 H    4.78906345       11.7003508      -12.6953840    
 H    3.87843084       12.3526850      -11.6282063    
 O  -0.323933095       12.3203897      -12.1171360    
 H   0.375183225       11.6591949      -12.2313938    
 H   -1.00022995       12.1468496      -12.7819490    
 O   -5.14512539       13.0134048      -9.83159542    
 H   -4.80753422       12.3929539      -10.4979115    
 H   -5.97550154       13.3468800      -10.1624422    
 O   -1.91393244       9.17596817      -7.03755903    
 H   -2.85440826       9.03637314      -7.21337175    
 H   -1.80058432       10.1287365      -6.95865536    
 O   -2.82487082       14.4621258      -8.93847561    
 H   -2.43455672       13.7942019      -8.36481667    
 H   -3.63660789       14.0708904      -9.28060818    
 O  -0.622122467       8.46408558      -9.32542801    
 H   -1.04370701       8.58772945      -8.46121979    
 H   0.261780322       8.85492706      -9.27902794    
 O   -2.33487582       11.2867184      -13.8392448    
 H   -2.45843863       11.3847437      -14.7793417    
 H   -1.82012689       10.4688492      -13.7054625    
 O   -1.00119948       16.2048702      -9.97049904    
 H   -1.15360510       17.0765762      -9.61663628    
 H   -1.70905900       15.6407013      -9.61319351    
 O  -0.795513153       9.13740730      -13.2879333    
 H    7.78233781E-02   9.37555599      -12.9517756    
 H   -1.15341806       8.46221447      -12.6985340    
          69
 Energy    -247.93618986489889     
  O     17.23028400     10.26976272    -18.07843790
  H     17.44656490      9.91178000    -17.20284581
  H     18.61718117      6.08920657    -15.10269221
  O     17.11971689      5.93038490    -12.31748744
  H     16.27101798     10.39110823    -18.13346926
  H     18.50430448      8.71230457    -11.45775424
  O     16.04837688     14.13601301    -12.91325144
  H     17.04432173      5.07555090    -11.90233361
  H     18.44817695      7.21390966    -11.81859104
  O     21.28092936     10.92227798    -13.99508110
  H     17.35102304      5.77063647    -13.25037059
  H     20.73317604     10.07179819    -17.21786930
  O     16.09296052      6.42725256    -17.05667193
  H     16.33205665     15.04670928    -12.93636745
  H     20.11473944     11.47459300    -17.00040520
  O     13.87406062     10.57213386    -12.76907497
  H     16.34456150     13.74553418    -13.75033687
  H     18.56472764      8.52534436    -15.53048522
  O     15.48941932      8.20699199    -12.50197794
  H     21.40444551     10.00593655    -13.72155563
  H     17.03463248      8.80954091    -15.36854751
  O     16.97476637     12.77240987    -15.13788413
  H     21.24629963     10.92156874    -14.96442239
  H     14.43190214     10.91610480    -17.09262235
  O     21.29257889      8.16109690    -13.15911947
  H     15.36117888      5.95708043    -17.44965082
  H     13.66071464     10.86518125    -18.42387406
  O     15.27431865      8.33448673    -15.24565017
  H     15.70556055      7.09668011    -16.46788133
  H     16.69805871     10.84124486    -11.22784564
  O     19.92777617      7.30857766    -15.43237343
  H     14.21949581      9.68886463    -12.58932653
  H     17.76387085     10.51993588    -12.30159806
  O     17.80092230      5.60639471    -14.90915054
  H     14.29966717     11.15573018    -12.12889856
  H     15.13237675     12.66962847    -10.23770142
  O     19.05609509      7.94210358    -11.64403755
  H     16.10733832      8.88157231    -12.18198197
  H     15.65273354     12.94469250    -11.66757837
  O     20.84881006     10.90484650    -16.74694157
  H     15.92505629      7.35780779    -12.35716348
  H     18.35931270     10.42693875    -14.39454382
  O     17.88600451      9.21038385    -15.58405729
  H     17.44688705     12.87050433    -15.97205343
  H     19.55131956     11.16873960    -13.72878461
  O     14.51822794     10.70914697    -18.03799167
  H     17.56474209     12.25356571    -14.56651030
  H     19.75504502      8.01813129    -18.28917824
  O     17.26733882     10.13832397    -11.56009897
  H     20.51242215      8.10383009    -12.57795434
  H     21.26474568      8.00031028    -18.62510380
  O     15.43317063     12.23994535    -11.03432608
  H     22.02654464      7.80355288    -12.66636953
  H     15.45637502     11.67915687    -15.27046653
  O     18.58589371     11.10330204    -13.73793042
  H     15.00117145      9.25098264    -15.38446241
  H     14.31038414     11.00043356    -14.45382208
  O     20.63718735      8.26117067    -17.95615227
  H     15.28628999      8.19339343    -14.28786532
  H     18.69381215     13.14424893    -18.27687266
  O     14.69375986     11.09043994    -15.33864685
  H     20.33786588      7.57540771    -16.26492458
  H     18.06768258     11.79717765    -17.84646760
  O     18.53904849     12.58353728    -17.52051808
  H     20.49479503      7.59142250    -14.70269291
  H     17.75210174      8.60697277    -18.71702771
  O     18.09255710      7.70113839    -18.73377493
  H     17.22295703      5.74715114    -15.66712815
  H     17.46869540      7.18461092    -18.21084890
          69
 Energy    -247.93612746964058     
  O     -0.06325877      2.02090187      4.55781816
  H      0.15680934      1.57856769      5.37304575
  H     -3.55399082      4.66857235     -0.41599522
  O     -3.94337939     -0.91316333      0.45696086
  H      0.76471070      2.40559202      4.21859450
  H     -3.40331522      2.50738526     -0.50082833
  O     -2.40345673      0.88786422     -3.12172651
  H     -3.98004901      0.01807667      0.72646968
  H     -3.08419238      2.27525762     -1.99684262
  O     -4.24268506      4.03702534      2.65417670
  H     -4.45761296     -1.39417509      1.10027341
  H      3.11440901      6.47879151      3.12615706
  O      0.43191835      0.28506545     -0.00351530
  H     -2.24907202      0.15056068     -2.50116855
  H      2.58977386      5.85962312      1.80968306
  O      0.22995516      1.62216474     -2.45960684
  H     -2.85091851      0.52162996     -3.87932004
  H     -0.16932331      4.42418278      1.54753387
  O     -1.33214425      7.12032091      0.61303904
  H     -3.44591162      4.06213890      3.21485910
  H     -0.36134285      3.94361772      0.07104612
  O      2.21592081      3.05627753      3.47885682
  H     -4.96039927      4.37339178      3.18384221
  H     -4.00738005      2.48357532      1.68787114
  O     -1.81256879     -1.00258721     -1.31058894
  H     -0.18332581      0.51449657      0.70830577
  H     -2.77903056      1.56095592      1.50125204
  O      2.30567035      2.22187434      0.77491791
  H      1.24924403      0.74380362      0.23409863
  H     -1.41478225      4.80588847      3.72974958
  O      2.67042204      5.87466086      0.07788545
  H      0.31114773      1.14441526     -1.62164379
  H     -1.39874019      3.40703785      4.37445582
  O     -3.47602313      5.38151962      0.22689031
  H     -0.62148165      1.37225209     -2.84037503
  H     -0.80777806      1.42113698      2.94668835
  O     -3.23727388      2.96348034     -1.33811277
  H     -0.75644589      7.06563424     -0.15669266
  H     -0.79256444      2.23329738      1.63679504
  O      2.50511334      5.83227542      2.77994901
  H     -2.11537886      6.58330368      0.41685669
  H     -0.64921550      6.40377620      2.05702352
  O     -0.06486247      3.67533381      0.94745752
  H      2.39705158      2.64088676      2.62565458
  H      0.64418077      5.96214284      2.83858880
  O     -3.66849525      1.74828147      1.16226714
  H      2.34815488      4.00162878      3.33819984
  H      0.00889007      5.71644920     -1.72920722
  O     -1.98471056      4.12985977      4.12667780
  H     -2.52869813     -1.07341912     -0.66173562
  H      0.42841565      7.03735105     -2.41380307
  O     -1.09791100      1.39742324      2.02755142
  H     -1.00652679     -0.78872929     -0.82808891
  H     -0.29373972      3.33488911     -2.03235552
  O     -0.30358540      5.81290774      2.74543756
  H      1.52378433      2.79616711      0.81797508
  H     -1.67807234      3.86281355     -1.60707038
  O      0.45963015      6.56596173     -1.58494526
  H      2.92261239      2.64201530      0.16554014
  H      3.48344130      3.26530488     -1.95082505
  O     -0.75647345      4.12836354     -1.73358372
  H      1.94536124      6.16664826     -0.48796473
  H      4.83499273      3.50783062     -1.24122702
  O      3.89139230      3.60096740     -1.13464823
  H      3.10673812      5.14991102     -0.38545342
  H      1.80202612      2.18202837     -3.08649510
  O      2.65364574      2.57604808     -3.33519609
  H     -3.75900388      5.00171923      1.06811827
  H      2.77953924      2.37200898     -4.25824457
          69
 Energy    -247.93596588799664     
  O     14.18596747      4.91465937     -9.46740823
  H     14.63071439      5.57098205     -8.91762522
  H     12.35021402      9.25303616    -14.07137111
  O     14.50213786      8.75737795    -16.28252259
  H     14.84617265      4.62719091    -10.11189126
  H     16.73504615     10.15848702    -11.55400217
  O     17.98719524      8.65580979    -14.19077599
  H     13.86442275      8.69816500    -16.99068529
  H     17.45753169      9.18595460    -12.56276692
  O     15.73985336     11.72881835    -11.40838711
  H     14.01902699      9.08123063    -15.50750215
  H     15.51413297      8.48385583    -12.04372994
  O     10.95515218      8.23049790    -14.27843990
  H     17.37481255      7.98199126    -14.52012592
  H     14.19057854      8.14538556    -11.31584462
  O     18.45807653      3.53722586    -12.70278699
  H     18.85078923      8.23111917    -14.11291788
  H     12.64009825      5.57332316     -9.93422362
  O     11.82079464      5.97784628    -13.02154274
  H     15.53009905     11.85387848    -12.35345176
  H     11.11731842      5.66316336     -9.67558320
  O     17.42033039      6.92542055    -10.23727234
  H     16.02991840     12.57423958    -11.07634955
  H     21.22509678      7.23777685    -13.93906642
  O     13.04775375     10.72249192    -11.07065951
  H     11.21503232      7.39105904    -13.85976820
  H     20.13738849      6.70466559    -12.97423029
  O     18.50682338      5.11437283    -14.91310416
  H     10.02500782      8.15628957    -14.47084785
  H     14.56594473      6.52225325    -12.92145355
  O     15.03961082     11.84211008    -13.98643584
  H     18.44239320      4.03608188    -13.53948878
  H     15.13456815      5.11262515    -12.69213083
  O     13.20916230      9.68136820    -13.93208705
  H     18.78836908      2.66669232    -12.90673807
  H     16.02604669     10.01076015    -16.17057763
  O     17.08460840      9.26653223    -11.67199928
  H     12.72147629      5.69697714    -13.22928012
  H     17.29026069     10.01692027    -15.29931674
  O     14.63457678      8.10557553    -12.17147469
  H     11.76349896      5.98732921    -12.05864489
  H     15.64715222      6.27271547    -14.63240858
  O     11.83136877      6.06776059    -10.16172898
  H     17.38134925      7.77220439    -10.70527687
  H     15.64795120      7.36049518    -15.73268261
  O     20.28511742      7.10876663    -13.84829961
  H     16.84336559      7.01650167     -9.46947333
  H     19.36945884      4.98257819    -11.79959193
  O     14.60196467      5.63171656    -13.30822538
  H     12.82979922     10.56300018    -11.99360100
  H     19.01205297      6.22571583    -10.95704560
  O     16.70636515     10.59235360    -15.81134204
  H     13.93287491     11.11099608    -11.08114255
  H     16.97019417      4.09786058    -11.76098556
  O     16.21954278      6.75302642    -15.24843165
  H     19.18002164      5.77541072    -14.70934724
  H     16.65973408      5.41429973    -11.00614773
  O     19.69987418      5.84493558    -11.51855431
  H     17.71897209      5.60750640    -15.17585327
  H     14.69999746      7.72038814     -8.71147342
  O     16.26153577      4.59502124    -11.33449451
  H     15.68586733     11.54945432    -14.64537171
  H     15.42793834      7.52554624     -7.36099095
  O     15.40896616      7.22502324     -8.26610353
  H     14.30186957     11.22293596    -14.05048440
  H     12.66271756      7.72718111     -9.83491254
  O     13.35822457      8.37847083     -9.67377184
  H     13.71892104      9.12340325    -13.32448935
  H     13.10202841      9.23232828    -10.05303171
          69
 Energy    -247.93593684433279     
  O     -0.59061317      3.68882227      2.93855806
  H      0.12470432      3.11385734      3.23652295
  H     -2.00252510      7.86186118      0.42261627
  O     -3.06889316      4.86779233     -0.14735694
  H     -1.23600257      3.15529425      2.45449128
  H      1.34055285      1.56074998      0.41591817
  O      3.21801158      7.19670606     -0.32607099
  H     -3.18961169      5.55323957      0.52348515
  H      2.57472518      2.46674652      0.61967783
  O      1.04429741      7.81520631      1.21179284
  H     -2.35476011      5.17833036     -0.71660982
  H     -0.39728570      4.24947882     -2.34658513
  O     -0.76505268      5.82526516     -1.53968526
  H      3.44175008      6.28716368     -0.10753580
  H     -0.12941904      2.78958391     -1.83285208
  O      3.02144633      4.27243074      0.12222032
  H      2.81055332      7.14818453     -1.20420936
  H     -2.21499644      0.62115203     -2.59577538
  O      0.47998202      5.11558726      0.75449163
  H      1.86313883      7.73753644      0.69701418
  H     -2.77005405      0.09583361     -1.26154824
  O     -3.06898899      6.93675352      1.75184339
  H      1.27692001      7.73310849      2.14415803
  H      3.21219765      4.61613589      2.11949987
  O     -0.26310041      1.62097923     -0.49126208
  H     -0.29339510      5.48088596     -0.76140890
  H      2.59538331      3.90180054      3.33165780
  O     -1.17162950      6.30528496      3.59411101
  H     -1.03790827      6.72235912     -1.28973805
  H     -3.77321912      2.76044707     -2.46485800
  O     -2.33139047      2.51680280      1.16458646
  H      3.04162425      4.11018480     -0.82954802
  H     -4.05960286      3.68085733     -1.25167739
  O     -1.34375303      8.12167152     -0.23240960
  H      2.11443772      4.55625122      0.32742571
  H     -2.44517484      2.28378578     -4.65395571
  O      2.13648388      1.67497792      0.95325573
  H      0.60780924      6.04533761      0.99532971
  H     -1.56920116      2.65041301     -3.43646923
  O     -0.10702911      3.36552234     -2.61419795
  H      0.12622150      4.65146082      1.52219191
  H      1.96747366      1.50580647      4.13405940
  O     -2.02063676      0.01987272     -1.86636703
  H     -3.78362253      7.38344549      2.19849796
  H      1.88290692      1.91970691      2.64275502
  O      2.95240299      4.74925376      3.03709972
  H     -2.39257896      6.75088934      2.42704368
  H      3.10838018      3.30630689     -3.31415525
  O     -4.38267192      2.90643508     -1.73044892
  H     -0.72885542      0.91938151     -0.97014161
  H      1.69777561      3.57139748     -2.74040718
  O     -2.40535202      2.23594061     -3.70158640
  H     -0.90046334      1.97256372      0.14439845
  H      2.10972800      7.42631232      4.54442505
  O      1.71062156      2.21770974      3.55493509
  H     -1.04932055      5.34864808      3.50616722
  H      2.11224943      6.21705687      3.58397288
  O      2.63318529      3.81949904     -2.66481022
  H     -0.29279137      6.65554805      3.77535532
  H     -4.98861407      0.35691299      0.13042874
  O      1.61732700      7.01500079      3.83871693
  H     -2.61196390      3.34079931      0.73945400
  H     -4.34801049      1.50954475     -0.68317924
  O     -4.15444577      0.76579341     -0.08310755
  H     -2.96597475      1.83849265      0.90328915
  H      0.92930370      6.47631334     -2.43567846
  O      1.85170987      6.59669145     -2.68495821
  H     -0.51220812      8.19896778      0.25801080
  H      2.19950702      5.70731960     -2.82402704
          69
 Energy    -247.93589677577037     
  O     -0.63672477      1.48936430     -2.88507111
  H     -1.17629119      2.20945369     -2.56847823
  H      1.76866581     -1.70705030     -3.27967272
  O     -0.32762074     -4.40445021     -5.60116536
  H     -0.40831266      1.69590130     -3.80893042
  H     -1.88829808     -6.04469834     -3.60383257
  O     -0.97739406     -5.74624954     -1.89450982
  H      0.29615259     -4.45458058     -4.86328911
  H     -3.05299137     -5.33184893     -4.30340824
  O     -2.47823201     -3.50798295     -1.54606374
  H     -1.02111292     -5.05048623     -5.40150243
  H     -4.93687042     -3.44133241     -4.23342145
  O      2.05832043      0.98690481     -2.13304092
  H     -1.06191863     -6.33986615     -1.15311113
  H     -3.42151705     -3.14580392     -4.32933248
  O      1.17654927     -4.59841606     -3.25900261
  H     -1.50986559     -4.95746652     -1.68808902
  H      3.28803625      1.54647180     -5.12212405
  O     -0.43747540     -0.61602816     -6.44068108
  H     -3.15903072     -3.56861109     -2.22858973
  H      3.10065007      1.15273094     -3.60455217
  O     -0.92849215     -1.28478510     -2.43178468
  H     -2.00945386     -2.67917794     -1.70674919
  H      4.79360272     -0.39587256     -4.50491217
  O      4.53519437     -2.51793304     -2.22918093
  H      2.02852356      0.04177906     -1.95198271
  H      4.90194454     -1.72592953     -5.28175511
  O      0.02985661      1.94496694     -5.47440479
  H      1.14389316      1.24648549     -2.30466713
  H     -0.10543124     -1.01942873     -9.63538401
  O      2.58833409      2.14406206     -6.75069611
  H      1.33657030     -3.75075907     -2.82747464
  H      0.06263781     -0.97355872     -8.09629783
  O      1.80574602     -1.96264900     -2.34165507
  H      0.50722758     -5.06278812     -2.73903207
  H      2.37356002     -1.81238906     -5.45944437
  O     -2.32167365     -5.94138213     -4.46027046
  H     -1.13939360     -1.11673659     -6.00700663
  H      2.37253288     -0.40359912     -4.81310685
  O     -4.08523018     -3.71493540     -3.90304486
  H      0.37317815     -0.81283218     -5.94386570
  H     -1.58362635     -1.93553553     -4.02107691
  O      3.57594725      0.94763744     -4.42334022
  H     -0.91801005     -0.32517281     -2.54401160
  H     -1.36640331     -3.00674917     -5.13815293
  O      5.24777533     -1.25175775     -4.51813436
  H     -0.01628223     -1.55138439     -2.25884989
  H      3.38212558     -1.06604449     -7.52982511
  O      0.49369969     -1.23925198     -8.92708893
  H      4.86243870     -2.03176206     -3.00803775
  H      2.20755687     -0.60685640     -8.41098653
  O      1.82889327     -1.19045025     -4.95775179
  H      5.25114462     -2.54470360     -1.60030912
  H      2.90107538     -3.16632435     -6.97804076
  O     -1.94382097     -2.28241711     -4.84981780
  H     -0.27201016      1.13121492     -5.90209264
  H      3.76741533     -3.44051270     -5.72289614
  O      2.99064580     -0.28929974     -7.94214291
  H      0.87052742      2.15496279     -5.89670465
  H      4.18478520     -3.96343059     -3.51353733
  O      3.59095302     -2.78139555     -6.41290034
  H      2.74999230      1.29736370     -7.20407545
  H      2.93145039     -4.72279306     -3.96386716
  O      3.81620648     -4.46227385     -4.25161984
  H      2.96463851      2.82483715     -7.30257013
  H      0.99932489     -2.97632845     -8.24521026
  O      1.40052146     -3.68338396     -7.72766276
  H      2.73178075     -2.16922291     -2.15269362
  H      0.73802125     -3.97803208     -7.08808392
          69
 Energy    -247.93566028545598     
  O     11.32304444      9.57041469    -13.65653407
  H     11.57720167     10.31488014    -13.09746321
  H     15.70330190      6.54167496    -15.88267263
  O     16.08486811      6.35371708    -14.07363257
  H     11.89720316      9.60979626    -14.42948357
  H     19.06116809      7.99808451    -13.62076608
  O     16.40235088      8.75133403    -10.06523743
  H     15.54049792      5.92960253    -13.39576085
  H     18.88860691      9.37672942    -12.94545510
  O     16.48461794     11.16910697    -13.74280019
  H     17.01085141      6.24580547    -13.82589685
  H     13.62210573     11.36581732    -15.00826685
  O     12.54980617      6.92852360    -16.44393646
  H     15.55246596      9.08230755    -10.38960966
  H     14.81060450     11.92770915    -14.20066136
  O     14.79082708      6.72332004     -8.74552092
  H     17.06045575      9.34398320    -10.44868091
  H     15.43649309      7.99984914    -13.80468684
  O     14.35540472      5.34372431    -12.13331276
  H     17.07016973     11.09824672    -14.50851646
  H     14.39477836      9.00033705    -14.39051126
  O     14.02040943      9.59159470    -11.23043938
  H     16.00192618     10.32753239    -13.70081580
  H      9.65818444      7.22876522    -12.35852076
  O     15.68926198      9.54308668    -16.99881956
  H     12.46283044      6.42924818    -15.61252349
  H     10.82664061      8.09229396    -12.89403202
  O     15.78439515      4.45355301     -9.84810027
  H     11.94141678      6.53706483    -17.06511526
  H     17.26691698      7.15652832    -10.51675103
  O     18.17689307     10.42487922    -15.83692872
  H     15.38414567      7.44856629     -8.97653010
  H     17.15800051      5.61764247    -10.43284087
  O     15.41970024      6.79854508    -16.77065362
  H     13.98327375      6.86688292     -9.25876864
  H     13.00496592      5.37299440    -13.49551281
  O     19.13590189      8.94821688    -13.77269207
  H     13.84104885      6.01378508    -11.66018748
  H     11.64909320      6.10830476    -13.52232567
  O     13.86957072     12.05492441    -14.38158451
  H     14.83736136      4.86077125    -11.45203430
  H     18.56301880     11.25522239    -11.22956187
  O     14.99856468      8.84729418    -13.65369769
  H     14.33958961      9.30081982    -12.10070481
  H     17.48833049     10.85516518    -12.26433719
  O     10.60683778      7.25385563    -12.44892007
  H     13.48352717     10.37739197    -11.38021618
  H     19.39473170      5.50602221    -13.27404372
  O     17.71702477      6.33503575    -10.75329910
  H     15.71491742      8.57306588    -17.01742108
  H     18.44930399      6.23740390    -12.28392119
  O     12.28747295      5.64518204    -14.07965387
  H     16.54874696      9.83269649    -16.67704405
  H     13.16230035      8.07625727    -10.84273125
  O     18.06934962     10.51047546    -11.56590305
  H     15.41461504      5.20462550     -9.34820626
  H     11.95985311      7.15656683    -11.15898810
  O     18.75714798      6.21144511    -13.20937618
  H     15.80802815      3.71051041     -9.25185330
  H     12.02205446     12.53187843    -11.81093129
  O     12.79985199      7.19115318    -10.68670671
  H     18.89878483     10.76087443    -16.36125626
  H     12.93373749     11.94999695    -12.91941647
  O     12.41325336     11.72253727    -12.12749300
  H     18.56694420      9.83297427    -15.16867300
  H     14.11060264      9.66022205    -16.29524991
  O     13.28446782      9.54056207    -15.79397770
  H     14.45842699      6.72263722    -16.76531859
  H     12.93157116      8.68324363    -16.07139369
          69
 Energy    -247.93561404038203     
  O     14.87690241      3.22984050    -10.23848790
  H     14.01596087      3.64964275    -10.37420242
  H     13.56463916      7.74607857    -14.02829787
  O     12.41796654      4.47210197    -10.82967164
  H     14.72984818      2.27759265    -10.29419380
  H     16.07324096      6.34045616    -16.71577257
  O     16.32493651      3.49323893    -12.64197679
  H     12.68502620      4.95392832    -11.62800057
  H     15.37596286      5.71056824    -15.48779562
  O     17.37613953      7.17756577    -13.54130229
  H     12.10824023      5.14854095    -10.22475443
  H     15.04610468      8.83864569     -8.23157442
  O     12.28731915      7.49494520    -10.41767053
  H     15.85681035      3.44558704    -11.79898154
  H     15.49325075     10.19401823     -7.63134308
  O     12.12315631      1.96464316    -12.16426202
  H     17.15571738      3.96592840    -12.48675590
  H     15.66675943      6.53285241    -10.76787509
  O     14.27006912      0.56051594    -10.88217588
  H     16.69016324      7.12431281    -12.85589072
  H     15.11546168      7.89793620    -11.27829066
  O     17.62562880      9.71456302    -12.35837839
  H     16.94203056      6.99104152    -14.38023207
  H     13.42878857      7.31202901     -8.85647251
  O     17.91939421      8.74705221     -9.76674615
  H     12.81423788      8.30244982    -10.52651931
  H     14.77144410      6.65752131     -8.45076598
  O     13.26622379      6.10046843    -12.90258363
  H     12.28111018      7.10777159    -11.29778829
  H     12.51756398      1.57239427    -15.29886739
  O     15.02296966     10.60282000    -13.26481260
  H     12.03349861      2.78646919    -11.66712845
  H     12.69133232      1.99929305    -13.82231566
  O     14.04948189      8.39308186    -14.55133648
  H     12.72562938      1.40941283    -11.65284113
  H     18.67084250      5.38782613    -11.26704032
  O     15.78089839      6.52646323    -15.82701739
  H     14.39775615     -0.30961422    -10.51498087
  H     18.29803619      5.79825257    -12.70477383
  O     15.54892803      9.65327458     -8.41439898
  H     14.73178234      0.57822706    -11.74009543
  H     14.07563652      3.58132376    -14.77709687
  O     15.43324915      7.03075515    -11.56120526
  H     17.70988562      8.89660894    -12.86755842
  H     15.27360482      4.09598347    -13.93114902
  O     14.13371554      7.34101592     -8.19829869
  H     16.81834076     10.12960109    -12.68090637
  H     15.92119476      1.74173582    -13.15947838
  O     13.11822488      2.00481432    -14.69782651
  H     17.86569638      9.14859028    -10.64636900
  H     14.71761083      1.16062171    -13.92241352
  O     18.51710783      5.03557092    -12.15137548
  H     17.18237275      9.09829503     -9.25600530
  H     16.95797374      5.63626362     -9.24918140
  O     14.61967829      4.35816689    -14.59936576
  H     14.04382691      6.41749234    -12.41085967
  H     15.74710567      4.65581008     -9.47320854
  O     15.42648825      0.92377890    -13.31300725
  H     13.60389144      5.48809983    -13.57000060
  H     18.46272406      7.12527561     -9.62110850
  O     15.99479778      5.56069235     -9.24341465
  H     14.67750001      9.84574946    -13.76983101
  H     19.47486077      6.14140459     -8.98632754
  O     18.69287538      6.18151214     -9.52978273
  H     14.80520636     11.38676922    -13.76203584
  H     14.47245247     10.01770437    -11.60338078
  O     14.19659067      9.47725557    -10.85287936
  H     14.64653479      7.87121153    -15.10248098
  H     14.69283982      9.74863057    -10.06970549
          69
 Energy    -247.93561034651384     
  O     -2.29986870      5.31909856      2.91754326
  H     -2.57737682      4.39768741      2.82717675
  H     -2.88912325      3.93054467     -1.94637061
  O     -3.41778027     -0.83840715      1.41510815
  H     -2.56208617      5.74147485      2.09137105
  H     -1.92445753     -0.73820647     -2.32819999
  O     -1.67149671      3.46347686     -3.34347984
  H     -2.85539892     -1.51352928      1.01748802
  H     -2.93268235     -1.76832051     -2.86404526
  O     -3.54698684      1.43156748     -0.17117789
  H     -2.93047859     -0.52076516      2.18568551
  H      0.43337390      6.28244294      0.42271546
  O      2.23739839      0.07315315      3.13425027
  H     -1.79143311      3.75401220     -4.24340209
  H     -1.07023673      6.09966987      0.00766879
  O      2.87963845      3.03516206     -1.19772081
  H     -0.81046852      3.81172495     -3.04741190
  H     -2.36857349      1.86765912      2.67847129
  O     -0.31221391      3.22748009      1.03751717
  H     -2.84819049      1.25577041     -0.81461784
  H     -3.14026224      2.29483026      1.40795481
  O      0.53874368      1.03351618      5.03162150
  H     -3.65385140      0.61217962      0.33445393
  H      0.72827136      4.80862117      3.65858558
  O     -1.50592073      0.34916318      3.20146740
  H      2.39517067      0.97024699      2.82691386
  H     -0.59175190      5.59152099      3.44041255
  O      0.28517127     -0.69031379      1.29043453
  H      1.64556464     -0.32709673      2.47945552
  H     -1.58965548      1.77533445     -2.63005820
  O      1.43484811      3.03444264      3.16353513
  H      3.76609503      2.95721770     -1.54024603
  H     -0.66575868      1.05283682     -1.61452744
  O     -3.45252340      4.08368211     -1.17817290
  H      2.94888655      3.51952750     -0.35588386
  H      2.03485498      7.74381428      1.86134257
  O     -2.15491652     -1.68161462     -2.31816210
  H     -0.27027985      4.11326070      0.65625285
  H      1.21532606      6.54130746      2.39552400
  O     -0.17070517      5.77917165     -0.13799649
  H     -1.19274346      3.09962717      1.41295893
  H     -3.14509300      5.50440247     -0.22969345
  O     -2.73972303      2.63444531      2.21963975
  H      0.78251832      0.91758610      5.94609623
  H     -3.51831570      6.97432063      0.07453693
  O      0.35711599      5.69583508      3.61186895
  H      1.18926058      0.54246493      4.49840040
  H      1.56975883      1.73026239     -0.85989442
  O     -1.50226313      0.97648959     -2.09503197
  H     -0.95782851      0.55215190      3.96809858
  H      0.32542790      1.98779723      0.01046535
  O      1.68951808      6.89024142      1.61703325
  H     -0.90029927      0.01601447      2.52303806
  H     -1.69976818     -2.31718880     -0.74991249
  O     -2.88030397      6.29498692      0.27498282
  H     -0.23582783     -1.40046378      0.89649504
  H     -1.44755025     -3.52765148      0.17969275
  O      0.76049301      1.31566214     -0.54080355
  H      0.49175484     -0.05633887      0.58849519
  H      2.67926384      5.27138702      1.26746621
  O     -1.47368854     -2.57441393      0.16057362
  H      1.07364943      2.47309826      3.85886411
  H      2.62137942      3.89486416      1.94622331
  O      2.98930751      4.36144931      1.18517146
  H      0.78733259      3.05429011      2.43999089
  H      0.39039950      4.99129799     -1.65842847
  O      0.65631295      4.42577188     -2.39870548
  H     -3.66508624      3.21102250     -0.82485560
  H      1.44563474      3.95960139     -2.10366405
          69
 Energy    -247.93558621553831     
  O     14.80491955     10.40355211    -10.98649391
  H     14.72810389     10.77555068    -11.87596862
  H     16.58633894      5.15827898    -10.23250143
  O     13.43424936      9.62721044    -16.85655920
  H     15.57600854     10.78326910    -10.54768413
  H     13.41822923      9.54013733    -10.20522445
  O     17.16862393     10.17979115    -14.28433488
  H     13.55376437     10.56524823    -16.66099253
  H     12.31079456      8.52391014    -10.56427539
  O     13.12443047      5.44160930    -12.16339416
  H     13.20182153      9.20786258    -16.01853031
  H     18.28135161      6.82035299    -14.76120930
  O     16.80297453      8.54019342     -8.37264256
  H     16.27805369     10.44038031    -14.01621540
  H     18.34097247      5.52378862    -13.93481291
  O     16.69609784     11.33096774    -16.80311820
  H     17.72944957     10.22550252    -13.49693818
  H     15.14903854     12.04064291    -16.40424288
  O     15.78602120      7.86481046    -11.68848959
  H     13.74318820      5.60531745    -12.88421518
  H     14.07741493     13.15908498    -16.42768291
  O     14.52121657     10.92302819    -13.66807048
  H     13.65663474      5.42802558    -11.35467824
  H     13.80556826      7.81139651    -14.23415827
  O     18.52835627      7.38377375    -11.57177194
  H     15.91082002      8.23117731     -8.16102223
  H     12.52249114      8.33835587    -13.55406079
  O     18.54708681     10.15153642    -11.91754921
  H     17.30947644      7.75982650     -8.59377753
  H     15.68630419      8.59239261    -18.87829718
  O     16.89815694      4.32597479    -13.31914027
  H     17.05720963     11.02344586    -15.95950004
  H     14.91279730      9.07349671    -17.62639869
  O     17.48409454      5.02814173    -10.56575315
  H     16.53527728     10.53519623    -17.32441288
  H     12.03716071      6.81554755    -12.09124227
  O     12.78104744      8.91938516     -9.82236885
  H     16.75205700      7.83381045    -11.64836348
  H     10.62282329      7.44401598    -12.12528719
  O     18.81604746      6.34415907    -14.11262638
  H     15.48917156      8.74697907    -11.43851234
  H     13.66860307      7.58404799     -7.09481829
  O     14.25043853     12.27751752    -16.10994661
  H     14.36611838     11.51678519    -14.41273770
  H     13.60925654      8.10103605     -8.55448441
  O     13.17229628      8.53920145    -14.23964147
  H     14.02768590     10.11017855    -13.85047726
  H     14.55847406      6.28362543     -9.18398355
  O     15.79686614      8.84615796    -17.96611906
  H     18.30586322      6.57170566    -11.09523369
  H     15.16683858      6.60094071    -10.56307084
  O     11.55193893      7.65985633    -12.10543124
  H     18.75985124      7.10630343    -12.47179664
  H     15.36052525      6.98325244    -13.11262757
  O     14.16116565      7.62035123     -7.90985311
  H     18.15726936     10.52106666    -11.11770403
  H     15.73099337      6.85982253    -14.61690934
  O     14.85845596      5.87091761    -10.00157110
  H     18.71991963      9.21983928    -11.72265638
  H     17.43379498     11.62260925     -8.91728925
  O     15.15916472      6.48967189    -13.92703108
  H     16.24143424      4.99740842    -13.55618585
  H     17.05675610     10.13176764     -9.08855834
  O     17.13766351     10.98096485     -9.55753750
  H     16.59209035      3.50277911    -13.69388551
  H     17.03040637      8.60819220    -15.11897781
  O     16.87846153      7.78377330    -15.60773557
  H     17.37010191      4.64481796    -11.44458943
  H     16.58160420      8.03561654    -16.48980496
          69
 Energy    -247.93549973004022     
  O     11.17535634      7.95741298    -14.32828664
  H     11.30913810      8.90494813    -14.44289056
  H     19.20705780      9.91568119    -15.24031463
  O     16.80132829      7.03283757    -12.96944695
  H     11.90870606      7.51948319    -14.78031943
  H     14.39972662     10.88456078    -16.23257830
  O     16.01727357     11.34930970    -12.32585220
  H     16.18224979      7.60105596    -13.45531306
  H     13.82587483      9.69366171    -17.04203423
  O     15.85814499     11.20023972    -15.14849809
  H     16.30047232      6.67740168    -12.22408659
  H     15.41088154      9.43571947    -14.68412205
  O     14.15312772      9.29666915     -8.44110120
  H     15.92143299     11.52690117    -11.37782088
  H     14.45287189      9.05636656    -13.53831637
  O     15.11203946      6.36590076    -10.90481852
  H     16.71916949     10.68510935    -12.37965844
  H     11.00307753      7.13146462    -12.81194888
  O     13.49545196     10.14942452    -12.44189812
  H     16.72405994     11.19624716    -15.57624923
  H     10.16628391      6.26822219    -11.83628227
  O     17.07858011      8.40203083    -17.15529359
  H     15.96843511     11.46743877    -14.22692781
  H     18.30297846      9.61205574    -10.49895336
  O     16.44658999      7.60925654     -8.83622464
  H     13.55868484      9.36597852     -7.69818431
  H     19.19031786      9.87720611     -9.26215885
  O     18.20675304     10.78447242    -16.60345535
  H     13.64836693      8.88846431     -9.16415930
  H     12.55045472      5.55491074    -12.55821788
  O     18.35724863      6.75913564    -15.20365485
  H     14.35329760      6.96355711    -10.86590258
  H     14.04720047      5.40080443    -12.25254765
  O     19.53721739      9.33161058    -14.54634880
  H     15.66703452      6.62385598    -10.15377204
  H     18.68427023      9.50300035    -12.98388533
  O     13.59523192     10.54290501    -16.64918671
  H     14.29724407     10.68910114    -12.39290909
  H     17.64035799      8.54955661    -12.36341981
  O     15.04095290      8.68262719    -14.20830515
  H     12.91572801     10.49461414    -13.13342649
  H     16.75026192     10.84493197     -9.44361458
  O     11.03476342      6.63636525    -11.97305022
  H     16.15909686      8.17114775    -17.32900246
  H     15.24569647     10.71074096     -9.17695593
  O     18.29262263      9.69924911     -9.53064494
  H     17.43609230      7.74028530    -16.54971795
  H     13.93560303      7.50592567    -18.40471103
  O     13.38075819      5.23160240    -12.92910261
  H     17.15834422      8.23467678     -9.01651102
  H     13.97406257      7.34357037    -16.86899293
  O     18.06725898      9.40842263    -12.24428767
  H     15.69762370      8.15286977     -8.55996803
  H     12.21269531      7.65352940    -10.98555599
  O     15.90316036     11.28783401     -9.58337358
  H     17.80780768      9.94316121    -16.89601581
  H     13.09422457      8.90669800    -11.26298325
  O     14.29906529      7.88517639    -17.60798136
  H     18.55932032     11.21102137    -17.37954004
  H     11.20564097     11.43850053    -14.79345025
  O     12.94370498      8.17954109    -10.63915493
  H     17.83722975      6.73741331    -14.38279868
  H     12.41786075     10.68175949    -15.38613972
  O     11.82508958     10.73591401    -14.61524508
  H     18.76894812      5.90262164    -15.28766834
  H     14.08092094      7.40234569    -14.93007654
  O     13.53000533      6.68379640    -15.28014478
  H     19.29472853      8.43829637    -14.82003071
  H     13.49876957      6.02040949    -14.57640411
          69
 Energy    -247.93539139656508     
  O     11.89891698     10.25203815    -15.60298652
  H     12.32555758     11.08639854    -15.37820016
  H     15.72119351     10.49535508    -15.27562802
  O     16.38437081      6.93131163    -12.95806036
  H     11.41780107      9.95852422    -14.81914844
  H     14.65087892      8.74239598    -14.88713714
  O     16.85165268     11.14364621    -11.62298779
  H     16.97731247      7.45737776    -12.39913643
  H     15.74252985      8.39277783    -13.83341087
  O     13.88724812      9.44010028     -8.88639341
  H     15.53508409      6.85867379    -12.50254172
  H      9.75469152      8.67762872    -13.34144592
  O     13.94048797      6.98982445    -11.66953099
  H     16.75752376     11.14049789    -10.66156193
  H     11.17527140      8.13135081    -13.62220676
  O     14.28368984     11.13017445    -12.70298838
  H     15.94886696     11.21028484    -11.96473732
  H     16.98362477      9.04845023     -8.82387441
  O     17.87903309      8.36180230    -16.81260008
  H     13.30617205      9.50438802     -9.65605806
  H     17.64528505      8.17545648     -9.89334623
  O     14.88190307      6.73631665     -9.03531338
  H     14.11880935      8.50633938     -8.81401685
  H     12.91385215      6.71168653    -13.31205575
  O     19.69268738     10.15494255    -15.53355647
  H     13.49462189      7.84476914    -11.59047836
  H     12.79559405      7.10103690    -14.81779444
  O     18.07098847      6.20310193    -14.97684919
  H     14.21428876      6.75588147    -10.77281397
  H     17.22118702     11.76855479    -14.78500480
  O     19.84846477      8.05643843    -13.64265625
  H     14.58252946     10.35438301    -13.20794470
  H     17.65654985     11.65490421    -13.29629099
  O     15.77408133     11.22170539    -15.91865671
  H     13.95598869     11.76425865    -13.35082333
  H     17.73388602      9.49393411    -11.70666055
  O     15.25996826      9.12140001    -14.23732188
  H     17.92553673      7.57630966    -16.25407570
  H     18.81011652      8.48281627    -12.25011176
  O     10.67435092      8.92841446    -13.36853042
  H     18.51103339      8.99174766    -16.44466369
  H     16.24115917     11.43387802     -8.13167321
  O     17.20386007      8.13290313     -9.03322207
  H     15.75767764      7.16367103     -9.02497499
  H     15.35149710     10.40926524     -8.87235696
  O     12.28935610      6.84913146    -14.03492860
  H     14.89998199      6.05733265     -8.36647080
  H     15.69529624      9.19254094    -18.90504727
  O     17.98540112     11.77894422    -14.19494041
  H     19.12775052     10.76407932    -15.02617942
  H     16.43659339      8.89062053    -17.58079852
  O     18.08744707      8.59959156    -11.61620496
  H     20.41337569     10.67411283    -15.88027197
  H     11.81814458      9.33144777    -11.94498946
  O     16.22747849     10.83555538     -8.87411856
  H     18.13308497      5.25715820    -15.08169726
  H     13.13360779     10.13004655    -11.76805668
  O     15.61234464      9.25229533    -17.95737631
  H     17.41668330      6.36378156    -14.27558456
  H     14.33829926     12.17741209    -15.41960720
  O     12.57661576      9.45023506    -11.36099445
  H     19.40462187      7.33964325    -14.11127595
  H     13.48650230     13.46328218    -15.29581849
  O     13.54042738     12.55474955    -15.01095261
  H     19.90965775      8.78240873    -14.27672044
  H     14.20663292      8.44826381    -16.91293412
  O     13.59830770      8.19378399    -16.20902665
  H     15.73905978     10.77989088    -16.77475978
  H     12.95173584      8.91389535    -16.11572201
          69
 Energy    -247.93536480834285     
  O     17.59248798     11.74851294    -13.46340745
  H     17.50422174     10.87397054    -13.06363468
  H     10.14946077      7.52926254    -15.03575498
  O     12.83958692      8.32326131    -13.43181770
  H     17.03426229     12.33361650    -12.93542315
  H     15.99013538      9.59804936    -17.88737513
  O     16.72218827      6.51015689    -11.99136569
  H     12.75834120      8.93993150    -12.69360716
  H     17.11057975     10.31387077    -17.10858522
  O     16.67798363      7.25388220    -16.04914425
  H     13.63760280      8.58698694    -13.91631826
  H     14.96885213      9.90630043    -15.07285629
  O     14.44036305     11.44353949    -15.88921230
  H     15.87084578      6.30162317    -12.40276065
  H     15.66301707      8.49837613    -15.14620197
  O     14.90936847      8.74185462     -8.64857091
  H     16.60520344      6.40130258    -11.03937494
  H     14.91137668     12.93963924    -12.43735517
  O     12.82515153     10.16468659    -11.38436282
  H     17.41987118      7.07009997    -15.45553928
  H     15.56955897     14.12938340    -11.69725287
  O     16.75272402      9.28964191    -12.36268049
  H     16.91344661      7.96820095    -16.65908264
  H     14.31251357      5.90546608     -9.95966695
  O     13.06723323      7.52078293    -17.15441487
  H     14.19120134     10.98066023    -16.70074289
  H     13.62389109      5.74789408    -11.32650592
  O     12.21812353      8.16196103     -9.49833665
  H     15.34154321     11.77144496    -16.01865172
  H     17.97142689      6.49912361    -13.32511608
  O     14.65442803      5.46391653    -15.87715505
  H     13.96407801      8.61558580     -8.79493426
  H     19.34926287      6.99231048    -13.79399869
  O     10.96165457      7.86884159    -15.40202174
  H     15.15199582      9.52825906     -9.15602858
  H     13.66694439      6.74933447    -13.16735745
  O     16.89969393      9.49731145    -17.57721275
  H     13.71061597     10.40422304    -11.07548642
  H     14.31467953      5.64030281    -14.02245533
  O     15.17146814      9.10360361    -14.57714906
  H     12.47108865      9.56475667    -10.71479054
  H     16.45727882      5.98505515     -8.49573218
  O     15.69419075     13.21205111    -11.92369000
  H     16.16729869      9.29673520    -13.13619106
  H     15.71631173      7.24200480     -9.01015501
  O     13.44788825      5.89500044    -10.38850096
  H     16.86272309      8.35884208    -12.13897279
  H     13.73291416      8.96910142    -17.79793636
  O     18.52708451      6.62496839    -14.11030700
  H     13.53880558      6.77680259    -16.76630240
  H     13.69861138      9.95133719    -18.98987197
  O     14.20676287      5.94617574    -13.11422143
  H     12.25849716      7.62835613    -16.63275371
  H     15.55386748     11.69315625    -10.78520777
  O     16.05662185      6.36731428     -9.27172014
  H     12.58154236      7.33038181     -9.85149278
  H     15.92623268     10.22749979    -11.10252094
  O     14.10496113      9.80237561    -18.14042616
  H     11.46358702      7.92600394     -8.96525679
  H     17.72162139     12.68934621    -16.45511363
  O     15.42001900     10.78523669    -10.49103733
  H     14.86106122      4.65582307    -16.34037767
  H     17.39397279     11.87863813    -15.18064733
  O     17.19052002     11.96775229    -16.12889436
  H     15.42237366      6.05300599    -15.98746174
  H     13.11232524     11.56076151    -12.81678803
  O     13.56356111     12.26582315    -13.29381557
  H     11.54509024      8.04437257    -14.64572556
  H     13.71330174     11.96647429    -14.19962146
          69
 Energy    -247.93532727628866     
  O     17.23855169     11.24658520    -16.73051676
  H     17.13041621     10.40224663    -16.26137945
  H     17.84399129      4.65550842    -13.06627298
  O     15.11511374      5.83237238    -14.86014509
  H     18.13881109     11.52983525    -16.54334053
  H     16.40006161      8.85500817    -14.68111690
  O     18.97681403     12.54720925    -11.02677778
  H     15.82110173      5.66884613    -14.22578340
  H     16.72675160      8.11810228    -16.01913701
  O     19.12564011      7.34737291    -14.38204781
  H     15.55294757      5.98767045    -15.71034275
  H     14.95294988     11.89629489    -14.78043728
  O     15.13695607      8.29747034    -18.95740539
  H     18.96726928     12.27213238    -11.95393833
  H     15.54350693     11.77709547    -16.18020050
  O     17.13300402      9.75508119     -9.48816785
  H     18.04941686     12.60247290    -10.76392557
  H     16.30133467      8.19247568    -12.02906044
  O     15.31235819      9.02704239    -13.20786461
  H     19.46702858      7.84001527    -13.62519825
  H     17.05527954      6.85886742    -11.84146243
  O     18.72086990     11.26718765    -13.52786367
  H     18.44180854      7.91321000    -14.77596069
  H     13.55734851      8.82549189    -16.12377531
  O     13.24191733      7.76053646    -14.57504840
  H     14.64689018      8.72154225    -18.22797808
  H     14.05558517     10.24680500    -16.47046295
  O     19.24032489      6.75986652    -17.14478363
  H     14.50424871      8.12768608    -19.64970919
  H     19.68209985     11.19535570    -10.15713278
  O     16.47396324      6.65187801    -17.12587306
  H     16.98500972      8.97104194    -10.03298319
  H     20.64881315     10.53271895     -9.14487102
  O     17.43539461      5.51331919    -13.15592846
  H     18.09019095      9.86294348     -9.42866426
  H     19.73366604      9.32430526    -11.31492791
  O     17.02537312      8.81207088    -15.41601571
  H     15.35959995      9.99275211    -13.18314214
  H     18.52846570      8.52388510    -11.86586783
  O     14.70148275     11.77461374    -15.70325985
  H     14.47864572      8.74463571    -13.60292917
  H     15.65239118     12.56770238     -9.70023645
  O     16.93596768      7.73356228    -11.45506101
  H     19.18594564     11.26368886    -14.37126050
  H     16.46521022     11.28994104    -10.01797814
  O     13.84870331      9.38242338    -16.85388024
  H     18.93494383     10.43143238    -13.08902753
  H     20.61618477      9.28149813    -18.88695667
  O     19.94511561     10.34547896     -9.75951917
  H     12.39379102      7.39256786    -14.34342407
  H     19.11838218      9.49035887    -18.56314960
  O     19.37180663      8.92981752    -12.11739972
  H     13.86082553      7.01248019    -14.66686690
  H     15.93206365     11.95082185    -12.18894985
  O     16.21330736     12.16687902    -10.35875291
  H     19.39580291      6.81514582    -16.19260534
  H     16.87653162     11.59924515    -13.36402676
  O     19.99729506      9.35086065    -18.16395671
  H     19.54758727      7.60186620    -17.50100675
  H     20.05622812     10.55018479    -16.74965767
  O     15.94514287     11.70246286    -13.12178826
  H     17.42850676      6.59676713    -17.28064065
  H     20.72464878     11.86262731    -16.29340783
  O     20.00800927     11.26392778    -16.09424158
  H     16.05993127      7.10570956    -17.87036046
  H     16.72726392      9.28771334    -19.18732111
  O     17.51525965      9.83650525    -19.10174598
  H     18.07040073      6.07524083    -13.63004622
  H     17.31591231     10.46015641    -18.38819535
          69
 Energy    -247.93528693969299     
  O     15.83955025     11.87967326    -10.20701709
  H     15.90375791     12.36502121    -11.03916217
  H     14.66670970      5.15522460    -14.51700317
  O     12.55880854      6.27788186    -11.68397598
  H     14.90265148     11.69799152    -10.07122057
  H     17.29267204      5.69599470    -13.05184554
  O     17.95370700      9.25131451    -15.05853530
  H     13.13424394      5.98232426    -12.40526651
  H     16.97848617      7.07688730    -12.38910955
  O     17.28318867      8.87589087    -12.41337663
  H     11.75230007      5.77540259    -11.77351274
  H     14.28354074     10.39477798    -12.72382239
  O     16.80474814     11.90287155    -14.85073619
  H     17.78375446      9.09770333    -14.11676641
  H     14.22568556      9.12503034    -11.82715947
  O     13.37290931      8.57053681    -10.35247828
  H     17.12965850      9.09216502    -15.54330664
  H     12.43005503     11.48253858     -9.35100510
  O     15.63842333      8.87617803    -16.58896534
  H     16.35619904      9.14739258    -12.50759163
  H     13.04470930     10.29008091    -10.11779975
  O     14.85134198     11.56520262    -16.89260984
  H     17.57080933      9.19326760    -11.54912105
  H     12.83585906      9.89424833    -15.18032588
  O     15.63327838      4.46287845    -15.97355003
  H     16.17694393     11.85751450    -15.58337893
  H     12.80576930     11.26790546    -14.45656332
  O     13.68091432      8.17185931    -14.78919455
  H     17.34538400     11.10760860    -14.90867940
  H     16.37227148      8.60319124     -9.19465743
  O     16.49929095      5.48915560     -9.72441608
  H     14.14088706      8.33773122     -9.80415275
  H     15.94617986      7.11483406     -9.15127257
  O     14.35351467      5.65001873    -13.74998700
  H     13.01647051      7.75990212    -10.73939431
  H     17.30946659      4.65870578    -14.98996947
  O     16.72983889      6.14368085    -12.40260745
  H     14.92777689      8.58040286    -16.00059557
  H     18.53321147      5.59931978    -15.00802923
  O     14.64402971      9.50749494    -12.61173165
  H     15.41136536      9.77007632    -16.86915922
  H     18.35742237     10.19907373     -9.26677415
  O     13.00379176     11.26170001    -10.08007097
  H     14.56900027     12.08591966    -17.63925623
  H     17.02705734     10.63873163     -9.92580806
  O     12.76375481     10.84593488    -15.32535932
  H     14.05467413     11.36754190    -16.36722310
  H     16.29475312      7.31231455    -17.29413737
  O     15.63376786      8.01802851     -8.99471126
  H     15.96522796      5.16813230    -16.55777435
  H     17.63957107      6.58542723    -17.14417274
  O     18.06575838      4.95096590    -14.46660092
  H     15.45921822      3.70812659    -16.52976534
  H     16.23783449     12.75104637    -13.45734366
  O     17.65230210      9.89739152     -9.83298253
  H     13.77652199      7.24142925    -14.55422573
  H     16.11752983     14.14404296    -12.79838705
  O     16.73025220      6.46117168    -17.44214058
  H     14.02486706      8.65561521    -14.02180833
  H     18.86158604      7.84823508    -15.71702079
  O     15.83600889     13.23676195    -12.71470779
  H     16.22488859      4.58054586     -9.63003672
  H     20.09836856      7.19203875    -16.36900924
  O     19.19989295      7.02107959    -16.09873483
  H     16.60084991      5.63901453    -10.67805714
  H     13.06830323     11.84893844    -11.87273505
  O     13.32959680     11.98361819    -12.79346062
  H     15.14441020      5.85111253    -13.22623188
  H     14.11339389     12.55033158    -12.78924597
          69
 Energy    -247.93528221622802     
  O     11.64856038      9.37452023    -14.76168612
  H     10.70684927      9.35924325    -14.90865906
  H     16.96962220      6.89323790    -16.68028839
  O     17.46471086      7.49600007    -13.68489989
  H     11.81519778      8.83150579    -13.97015454
  H     19.29611648     10.11588450    -14.30921347
  O     15.93860065     12.66179419    -10.71553573
  H     17.42443689      6.95071362    -14.48132749
  H     18.58152412      8.82538058    -14.72078919
  O     16.05636491     11.95880047    -15.05812014
  H     16.80130063      8.20522350    -13.76358327
  H     13.55343082     11.51400005    -13.49737879
  O     14.52426865      5.71931799    -15.42617584
  H     16.53479883     12.75030212    -11.48200890
  H     12.71906667     11.02752040    -14.67547840
  O     15.52053508      8.62274353     -8.14882062
  H     15.75375016     13.54326744    -10.40434801
  H     15.98567990     10.29500537    -14.28734367
  O     15.64635351      6.36911010    -11.74644541
  H     16.37524172     11.67762306    -15.92283433
  H     15.16172282      9.82043797    -13.08416093
  O     14.18967210     10.78808395    -11.87220717
  H     15.08669988     11.95007759    -15.03586482
  H     12.67678784      8.03778664    -11.83040405
  O     17.55937756     10.75980641    -17.13691551
  H     14.25319615      6.62864681    -15.61832112
  H     12.52890135      6.85776203    -12.79839598
  O     17.36081829      6.87854519     -9.54882579
  H     15.44997742      5.66659224    -15.68603790
  H     18.19463980      8.24544351    -12.14228678
  O     16.27608922      8.25728804    -17.48410965
  H     16.07340036      9.31839746     -8.55152169
  H     18.25266720      8.05238465    -10.61643236
  O     17.26990748      6.15537353    -16.11760515
  H     15.45051225      8.82720325     -7.22079563
  H     13.04594036      4.32765906    -13.00171531
  O     18.95328863      9.63905322    -15.07568750
  H     16.24232744      6.63444217    -12.45629487
  H     13.81408278      5.30430351    -13.92912900
  O     13.36405614     11.69896080    -14.42836257
  H     14.92777051      5.86343348    -12.14776424
  H     17.08209640     12.53451096    -13.66464963
  O     15.69632654      9.49926781    -13.82127873
  H     14.09645085     10.01740650    -11.29585753
  H     18.30485313     12.10823466    -12.80276714
  O     12.22278166      7.75783841    -12.63429766
  H     14.73622821     11.43732685    -11.41181833
  H     19.31388189     10.05983581    -12.06277340
  O     18.46925805      8.67838906    -11.32344669
  H     18.11755202     10.39144598    -16.42801217
  H     20.51835766     11.01432842    -12.21261763
  O     13.45125608      5.18975697    -13.03143211
  H     18.14552039     11.19081860    -17.75371917
  H     17.50750386      9.91857949    -10.18324007
  O     17.56126091     12.72007141    -12.84449470
  H     16.77402129      6.51628257    -10.22691957
  H     16.72116215     11.21709836     -9.86110038
  O     19.67110217     10.79299968    -12.59175994
  H     16.78153084      7.34117867     -8.93189673
  H     14.40253169      8.44207010     -9.63822597
  O     17.05391765     10.39608294     -9.47865760
  H     15.40544473      8.37138209    -17.07771637
  H     14.63094706      7.71395711    -10.97625632
  O     14.06263927      8.36320467    -10.53798878
  H     16.69071157      9.12803200    -17.48281763
  H     14.57979440      8.80330997    -15.11648464
  O     14.03773023      8.43639064    -15.82948258
  H     17.86935506      5.63161203    -16.64169941
  H     13.13795783      8.73359847    -15.65063131
          69
 Ord_Energy   -247.935150    
 O   -3.23034620      0.558141232       4.64257336    
 H   -3.64298439       4.72628810E-02   5.33468151    
 H   -3.94304180       1.02683258       4.17913055    
 O   -7.33450890       2.86368585       1.76952147    
 H   -6.60420656       2.48982358       2.28716302    
 H   -8.07503700       2.27094245       1.87253034    
 O   -1.38004136       2.70490050       4.76110601    
 H   -1.78982878       3.44523525       5.23440981    
 H   -1.96326816       1.94298470       4.84370422    
 O   -5.88374996       3.95048666     -0.443034440    
 H   -6.44273615       3.54953098      0.231949985    
 H   -5.64340782       4.82701588     -0.114056841    
 O    1.21382332       3.04244471       3.81831574    
 H   0.403868228       2.86453748       4.31818628    
 H    1.26507986       2.33836246       3.16381311    
 O   0.567467153       3.35501194      0.386214554    
 H   0.740539551       2.46152091      0.705099583    
 H   -9.21435133E-02   3.33412313     -0.327003330    
 O   -1.47122467       6.45617294     -0.253147691    
 H   -1.92129576       6.38504839      0.598612070    
 H  -0.525467992       6.43784380      -5.96972182E-02
 O   -7.00834513       5.61058331       2.64593744    
 H   -6.53652191       6.02988863       1.91326308    
 H   -7.30084133       4.75178242       2.31759453    
 O   -2.82021022       6.00346947       2.21913075    
 H   -2.35673213       6.48380280       2.91928625    
 H   -2.41030025       5.12409115       2.15434027    
 O   -1.31849277       6.99342489       4.32177925    
 H   -1.06896472       7.83879566       4.68432713    
 H  -0.498211622       6.55947733       4.02007246    
 O   -5.14426470       6.43284035      0.638069808    
 H   -4.81735277       6.94324827     -0.115997747    
 H   -4.38563585       6.32192183       1.22525716    
 O   0.928806901      0.958003938       1.76947570    
 H    5.63811697E-02  0.588683784       1.99060118    
 H    1.52135742      0.216230184       1.67875683    
 O   -3.32364321       1.72099090      0.978895903    
 H   -2.72829032       2.42048120       1.29131687    
 H   -3.52926660       1.90757334       5.62871583E-02
 O   -1.65573692       3.57763577       2.12739015    
 H  -0.817532659       3.56243682       1.65008628    
 H   -1.49907672       3.26036930       3.02774882    
 O   -3.93733263       2.55149269      -1.62970507    
 H   -4.27822924       2.10986972      -2.40238905    
 H   -4.66696024       3.08380842      -1.26205170    
 O   -1.57201040       6.09923014E-03   2.32307196    
 H   -2.18539119      0.450395197       1.72107708    
 H   -2.01906729       1.40073895E-02   3.17612815    
 O   -5.01818943       2.07091236       3.12528419    
 H   -4.87234497       2.97525764       3.44307733    
 H   -4.48535585       1.94053805       2.32488441    
 O   0.852890313       5.76572704       3.33817935    
 H    1.06449556       4.83863211       3.52107930    
 H    1.05829298       5.92023849       2.41014409    
 O   -3.72418928       7.64818096      -1.41132402    
 H   -3.64431167       7.86995745      -2.33565974    
 H   -2.85645223       7.31173849      -1.13942158    
 O    1.22193813       5.97740269      0.497841924    
 H    2.05639720       6.17292738       7.91529864E-02
 H    1.09810984       5.01246452      0.441126525    
 O   -1.41032791       3.81070971      -1.40566635    
 H   -2.27684236       3.41409492      -1.55311131    
 H   -1.56259680       4.72276449      -1.12836838    
 O   -2.63847136       4.90080357       5.78800821    
 H   -3.49356389       4.85859776       5.33946896    
 H   -2.18359470       5.66955042       5.42198515    
 O   -4.74168062       4.72367430       3.91444540    
 H   -4.08486843       5.16665220       3.36423182    
 H   -5.59910631       5.08261395       3.64181828    
          69
 Energy    -247.93503168608294     
  O     11.82067233      6.68335977    -11.67516417
  H     12.39498293      6.99972517    -10.96287690
  H     17.81019658      5.66031140    -14.42981424
  O     17.14988843      9.77984455    -15.42494057
  H     12.31371194      5.98393263    -12.11876269
  H     14.29773365      8.24421990    -11.67679961
  O     17.25291471      8.43381898    -12.97436121
  H     16.25454850      9.59616285    -15.74721786
  H     15.46898987      8.56990539    -12.65849163
  O     16.83488088     12.29701933    -14.27710084
  H     17.14707172     10.68673364    -15.09234452
  H     15.39010370     10.00261644     -9.52782750
  O     13.76044726      7.71282660     -9.97281312
  H     17.30771784      8.93029327    -13.80038172
  H     14.22298212     11.00598533     -9.64283390
  O     14.57332842      9.38415645    -16.39660176
  H     17.27208435      7.49605190    -13.21222890
  H     13.88234781      4.88974587    -13.76208290
  O     14.12392502     11.80246269    -15.16529570
  H     17.29214564     13.12756647    -14.37803019
  H     13.14070501      3.74632434    -13.04580925
  O     10.81305253      8.73154929    -13.15403422
  H     16.76467766     12.13138879    -13.31967730
  H     13.52430416     10.08125243    -12.70813169
  O     15.90915887      5.07052336    -11.41715814
  H     13.83410353      8.61192164     -9.61691944
  H     12.01400118     10.23977973    -12.92881724
  O     13.01361644      7.83016139    -14.69241639
  H     14.54709212      7.24739411     -9.66447105
  H     16.24085104      6.07917710    -10.06131154
  O     14.63173203      5.69144914    -15.23166888
  H     13.96722176      8.83206160    -15.88378176
  H     16.63583204      6.22004287     -8.57151248
  O     17.07575392      5.80985614    -13.81895068
  H     14.36726064     10.29554552    -16.14040671
  H     19.52925820      5.05846605    -16.27425369
  O     14.51161568      8.59667375    -12.54972222
  H     14.98891496     12.08322040    -14.84343083
  H     18.97093868      6.48973674    -16.19887506
  O     14.50794310     10.20512389     -9.18832504
  H     13.61714838     11.53717007    -14.38736888
  H     16.87203878      8.47429440     -9.87991611
  O     13.48123007      4.62958691    -12.91773327
  H     11.11556522      8.00239402    -12.58141622
  H     17.23275543      9.04063679    -11.25303677
  O     12.82693518     10.74666664    -12.82141728
  H      9.86194603      8.67755454    -13.18437060
  H     16.71821676      7.21458950    -17.38912713
  O     16.32575602      6.71346348     -9.32609585
  H     15.03182704      4.87640394    -11.76468482
  H     15.32304307      7.83596503    -17.24558801
  O     19.08205972      5.66996028    -15.69412730
  H     16.45632942      5.24410923    -12.19595856
  H     15.64657310     12.10172512    -11.32722974
  O     17.00186400      9.30749805    -10.35055001
  H     12.12697996      8.08247792    -14.41679806
  H     16.77200598     11.05714875    -11.13312879
  O     15.78112334      6.99461000    -17.37888021
  H     13.58261242      8.03502369    -13.93118298
  H     18.10371828      8.69929138    -16.46786307
  O     16.51940505     11.83557998    -11.64273979
  H     15.05871906      5.95017884    -16.06128333
  H     18.89407826      8.52808038    -17.78204718
  O     18.49703405      8.04028867    -17.06452577
  H     13.97040213      6.38181753    -15.06953618
  H     13.38063280     11.87941357    -11.56924347
  O     13.83500263     12.39846291    -10.88429655
  H     16.25648423      5.76780250    -14.33016471
  H     13.33017944     13.19786685    -10.76087213
          69
 Energy    -247.93490002829878     
  O     -3.79234835     -2.68881195      0.40295534
  H     -4.33776184     -2.65314784     -0.37938599
  H     -0.32318728     -6.11469604      1.58421619
  O     -0.91124532      2.41851929      5.68782409
  H     -2.86894677     -2.63046150      0.10107583
  H      1.89501062     -3.87588637      4.95574835
  O     -1.61755786      0.78006023      2.35840596
  H     -0.28901332      1.78807843      5.30179115
  H      2.35388071     -3.04546025      3.75206797
  O      0.60907293     -3.76501292      6.22142376
  H     -1.47335453      1.89783834      6.27552606
  H     -0.84925192     -3.05900895      1.59000442
  O     -2.75455692      0.63691268      6.98027685
  H     -1.93641407      1.64162046      2.65389358
  H     -0.26886428     -4.04711116      2.65619744
  O     -1.05241566     -1.45027745      6.14537960
  H     -2.36077024      0.16569611      2.43118688
  H     -4.46598537     -5.78021783      4.54950042
  O     -1.10992953     -6.03227287      5.51073743
  H      0.10130666     -2.95042172      6.32734312
  H     -3.50074755     -5.44969881      3.38340258
  O     -4.22065085      0.98591258      4.70298330
  H     -0.03454907     -4.47164798      6.09953036
  H     -3.90485523     -1.48876098      1.87715614
  O      0.14801770     -0.28108694      0.48530047
  H     -3.30092403      0.78541665      7.74749563
  H     -3.43311752     -1.62140295      3.33860378
  O      0.47174551     -5.66224922      3.19655864
  H     -3.33534786      0.71512946      6.20247157
  H      2.93908156     -4.14297371      1.85150818
  O     -3.31834557     -5.23738274      1.71083086
  H     -1.64932599     -1.94973906      5.56760336
  H      2.46365852     -2.75200713      1.46531602
  O     -0.84618776     -6.06820947      0.77141973
  H     -1.59567981     -0.77940156      6.57670832
  H     -0.08359322     -0.39039050      4.98523653
  O      2.40780757     -3.92867909      4.13235727
  H     -1.99998335     -5.89229881      5.15218840
  H     -0.35429374      0.38897084      3.66660651
  O     -0.60324621     -3.15068278      2.51859098
  H     -1.15771366     -6.80191456      6.07381925
  H      1.42262499     -0.82187290      3.29071213
  O     -3.58043289     -5.48583099      4.35586167
  H     -4.24226406      0.32167961      4.00301855
  H      0.84352577     -2.08689644      2.63401344
  O     -3.76601598     -0.98532304      2.68771199
  H     -3.82090627      1.77201594      4.30915923
  H      1.35399538     -4.62007770     -1.63012773
  O      2.68854572     -3.61456091      1.09013738
  H      0.84477669     -0.55985893      1.08916215
  H      1.56190479     -4.15238170     -0.17304898
  O      0.31256511      0.22253692      4.34910328
  H     -0.48053878      0.20810344      1.03629477
  H     -1.95899351      2.96685516      4.39055495
  O      1.63474954     -1.52311264      2.66070522
  H      1.23893232     -5.15805307      3.50569412
  H     -2.63460594      4.02419695      3.48246809
  O      0.88764391     -4.40873137     -0.82537065
  H     -0.03380350     -5.90214994      3.98305799
  H     -1.88282564     -2.95512305      3.70086034
  O     -2.58006322      3.08761823      3.64951196
  H     -3.54639651     -4.41628957      1.26333195
  H     -3.02946179     -3.69486794      4.44728806
  O     -2.59816200     -2.83968562      4.34839008
  H     -2.49972595     -5.56417257      1.30799540
  H     -0.69889499     -1.72342212     -0.07524208
  O     -1.14118647     -2.57904954     -0.19574552
  H     -0.28246423     -5.62049736      0.13125405
  H     -0.49334269     -3.19752738     -0.55445029
          69
 Energy    -247.93489151082252     
  O     -1.50909951      5.28300723      3.46072258
  H     -0.90464112      4.97468047      4.15228715
  H     -4.06405370     -1.66357745      2.27044462
  O     -1.40274267      3.18446618      1.66965451
  H     -2.20920321      5.75166846      3.90932510
  H     -3.08240855     -3.58875347      5.18885844
  O      0.33074306      4.20605285      5.29410788
  H     -1.75419126      2.47026454      2.21961028
  H     -2.95969563     -2.80369579      3.86543367
  O      0.31209268     -3.64233623      0.71388207
  H     -1.47316207      3.99620622      2.18846219
  H     -0.44830939     -1.61084464      2.69838747
  O      0.28927180     -0.69334897     -1.59627449
  H      0.81554339      4.65251555      5.98356363
  H      0.25821929     -0.45143656      1.96086356
  O     -1.85648572     -1.84727933     -0.02035039
  H      0.99075438      3.89362545      4.64767353
  H     -3.86997870      0.52457052      2.52567252
  O     -2.25182174      1.09584037      3.26722429
  H      0.22417444     -3.64436563      1.67691914
  H     -4.34875965      0.18253006      1.09646162
  O     -3.71069001      0.11748635     -0.73498670
  H     -0.49991884     -3.25305460      0.36758395
  H      0.32300880      1.10206047      5.00772064
  O      0.55840259      1.98877202     -1.83145771
  H      1.04892271     -1.17185403     -1.24207340
  H     -0.33179593      2.40472195      5.50905066
  O      2.32966160     -2.06414143     -0.18971146
  H     -0.48721408     -1.09781847     -1.19348448
  H      0.63161530     -2.93833497      4.16709339
  O     -0.91287775     -1.19290969      6.31109502
  H     -1.44835558     -1.41465392      0.74806640
  H     -0.86486398     -3.28620776      3.95449903
  O     -3.61521064     -2.52335583      2.29736414
  H     -2.55193513     -1.25158314     -0.33222913
  H      1.91000049      3.04175830      2.60297009
  O     -2.52091250     -2.97871344      4.71729833
  H     -1.73930918      0.38194436      2.85671372
  H      2.21839836      2.23142116      3.88229573
  O     -0.61020037     -0.80375360      2.19323999
  H     -1.78680802      1.29917100      4.08813809
  H      1.77811084      0.88041162      1.27314159
  O     -4.55132925      0.04909859      2.03032606
  H     -3.16017318      0.91762389     -0.81087546
  H      2.21509504     -0.61304532      0.98653810
  O     -0.49036999      1.46145329      5.39249692
  H     -4.37626052      0.17642172     -1.41537105
  H      0.66869773     -1.80555968      5.96483104
  O     -0.01364804     -3.20722233      3.50125233
  H      0.47001088      1.01911703     -1.79473199
  H      1.98844926     -2.52575575      6.34226805
  O      2.09187686      3.12869871      3.54627183
  H      0.88388913      2.20451343     -2.70110761
  H      2.03033536      0.20884268      3.44125129
  O      1.97480978      0.02007474      1.67270881
  H      3.07072124     -2.57794774     -0.49872196
  H      1.95458648     -0.43251128      4.84597633
  O      1.52837337     -2.11009287      5.61804415
  H      1.66713682     -2.69590939      0.14416638
  H     -1.96852328      2.70611723     -0.00517699
  O      1.94369151      0.41405226      4.38478797
  H     -1.58429150     -1.64480992      5.78562992
  H     -1.26249441      2.25456552     -1.29605181
  O     -2.12364696      2.29091784     -0.86514298
  H     -0.95165963     -0.25265831      6.09352790
  H      0.28798306      2.76952141      1.18775338
  O      1.17054896      2.52830174      0.86723225
  H     -3.12112902     -2.57544560      1.47562471
  H      1.08982107      2.46172262     -0.09232338
          69
 Energy    -247.93487588038852     
  O     16.33190634      9.93909918    -11.58393573
  H     16.21302224     10.89357613    -11.51187487
  H     13.92943946     10.62316147     -8.40598596
  O     15.89748009      4.98650501     -6.93476437
  H     15.57973338      9.56267699    -12.06213272
  H     12.63829617      8.59420488     -5.50618838
  O     16.18210789     12.67194438    -11.08179984
  H     16.28917695      4.13063525     -6.78252817
  H     13.36218849      8.83299215     -6.85185463
  O     13.29375229      5.86495554     -7.64250358
  H     16.24933581      5.31288206     -7.78109756
  H     17.67690403      6.12931167     -9.55331208
  O     14.29056880      8.53589732    -12.76193710
  H     16.15429842     13.46758656    -11.60557740
  H     16.44974049      7.01559694     -9.18569352
  O     18.70119874      8.60073752    -11.83657071
  H     17.05369294     12.64642198    -10.64432257
  H     17.78150106      7.32806538    -13.01372825
  O     20.38391683     10.34169623    -10.36208749
  H     14.12006887      5.45162487     -7.36468287
  H     16.54523394      6.40685507    -12.85510949
  O     19.33653220      6.49543191    -10.19915306
  H     13.19487688      6.64710633     -7.08597912
  H     17.54357092     10.91987197     -6.98501282
  O     12.62887509      5.88217055    -10.26604867
  H     14.56346433      7.70725621    -12.34120600
  H     17.66020249     12.29942210     -6.29913339
  O     14.94604027     12.07669282     -8.55823233
  H     14.54675782      8.46155919    -13.69206536
  H     15.41284200      7.64228481    -16.05830980
  O     12.48073622      8.73426641    -10.61296101
  H     19.35763504      9.22028952    -11.49408151
  H     16.15453366      7.57039245    -14.71329109
  O     13.55087808      9.73657872     -8.31167521
  H     17.85780335      9.07823241    -11.80533326
  H     16.15310896      9.16678940     -9.97609708
  O     13.31060366      8.23915922     -6.08161640
  H     20.29801987      9.75963651     -9.58525842
  H     15.12980197      8.98164776     -8.82372660
  O     16.75345231      6.09711385     -9.27404467
  H     21.30808461     10.56474596    -10.43885095
  H     19.14852016     11.71936233     -9.95637286
  O     17.19877625      6.72628983    -13.49111561
  H     19.10273149      7.21447870    -10.81162157
  H     18.24549235     12.23839929     -8.80664233
  O     17.46101609     11.87712263     -7.13101813
  H     19.90217289      5.89825736    -10.68259992
  H     15.09821739      7.77905194     -5.59554330
  O     15.47183544      8.05927621    -15.20291839
  H     12.85146121      5.85682552     -9.31811257
  H     16.03211917      6.58973070     -5.86547401
  O     15.99917276      8.70609555     -9.14132023
  H     11.88297916      5.30052729    -10.38761205
  H     14.23821988      5.93322338    -11.21755764
  O     18.49263455     12.38850052     -9.72839485
  H     15.74300018     12.06061827     -8.01481783
  H     15.70947933      6.02522640    -10.79373795
  O     16.01181627      7.48143999     -5.49786667
  H     15.23576825     12.34526975     -9.43814779
  H     19.82351077      7.76230928     -8.80112266
  O     15.12463970      6.11519700    -11.55770215
  H     12.40838930      7.78118479    -10.47919939
  H     19.23633526      8.74824244     -7.76060447
  O     19.99640196      8.58970050     -8.33691827
  H     12.98522431      8.83471051    -11.43060031
  H     17.16130403      8.59850971     -6.31939030
  O     17.60631230      9.15256400     -6.97590160
  H     13.09248138      9.48712246     -9.12853805
  H     17.09243733      9.04504592     -7.79118822
          69
 Energy    -247.93486042789863     
  O     13.82683351      9.27364998    -14.78034766
  H     14.62814005      9.66549379    -14.40744224
  H     15.55211412     13.71137564    -14.57704788
  O     10.64325636      8.15177623     -9.91237543
  H     13.77980569      8.36630653    -14.45363235
  H     16.64513244      9.12319896     -9.13544587
  O     13.46599041      6.80519515    -13.46626436
  H     11.48936317      8.11669714     -9.44258797
  H     16.27578086      8.46986381    -10.47375984
  O     14.65078604     11.84622760     -8.79132311
  H     10.17163711      8.88976677     -9.52844072
  H     14.28923962      7.54488980    -11.97409287
  O     13.33652777     11.47015668    -16.53574955
  H     13.47142861      5.89790592    -13.75747724
  H     14.46633721      8.96959013    -11.36517471
  O     11.04257041      7.57581929    -12.62367465
  H     12.56054996      6.99981271    -13.15765397
  H     14.94238304     15.27899312    -12.60750442
  O     13.21375294      8.46224879     -8.85546692
  H     13.68418190     11.76146499     -8.76380029
  H     13.49730013     14.75866531    -12.47587137
  O     14.31231912     10.78402872    -11.39122517
  H     14.87899962     12.74933853     -9.04305471
  H     17.74526691     10.08765113    -11.11253816
  O     12.02080928     11.11245970     -8.98156972
  H     13.50786666     10.60668864    -16.13814385
  H     19.05118758     10.44930784    -11.85064244
  O     17.43015889     13.46749763    -11.60894973
  H     13.97702126     12.07013140    -16.12871007
  H     11.88121889     13.32064544    -14.24657143
  O     11.71662808     11.64748557    -11.73703704
  H     10.89804852      8.41163890    -13.08550377
  H     13.39938101     13.33059496    -13.99033461
  O     15.00078750     12.96037886    -14.82730387
  H     10.84180494      7.73224741    -11.69082143
  H     14.90359232     14.64401226    -10.49804648
  O     16.97986039      8.95711255    -10.02400469
  H     13.92673888      8.71123847     -8.25747359
  H     15.59267256     15.10949804     -9.19646294
  O     14.62070713      8.02550868    -11.20752461
  H     13.65475537      8.18008470     -9.67058525
  H     15.32977748     10.79750205    -12.78771548
  O     14.20435048     15.20055284    -11.98954717
  H     13.39778148     11.06085235    -11.53325031
  H     16.80516267     10.61875057    -13.15659413
  O     18.13406675     10.69704893    -11.76449312
  H     14.56764065     11.10383294    -10.51810492
  H     11.76077292     12.04907404    -16.05273497
  O     12.54731832     13.56433335    -13.59277001
  H     11.75958498     11.32388164     -9.88873866
  H     10.33743534     12.61010921    -16.29622411
  O     15.41247842     14.33698787     -9.72659435
  H     12.32618834     10.19539054     -8.99103973
  H     15.80793647      9.71225763     -6.69644121
  O     15.92753019     10.68698714    -13.54630649
  H     16.83559035     13.63755582    -10.86909853
  H     15.29657459     10.44524844     -7.95945302
  O     10.94130549     12.33865336    -15.61062419
  H     17.65720318     12.53033283    -11.58985964
  H     17.18805086     15.62371931    -13.92490360
  O     15.56109181      9.57666065     -7.60755668
  H     11.42726900     11.00038876    -12.39508802
  H     16.92710413     14.44216001    -12.95695638
  O     16.52735374     14.99175639    -13.65595567
  H     11.96590775     12.43288798    -12.24323873
  H     12.13148780      9.81037728    -14.23440128
  O     11.23646052     10.05053195    -13.95289965
  H     15.40112570     12.17926171    -14.41843848
  H     10.95492210     10.76903598    -14.53163297
          69
 Energy    -247.93454772106685     
  O     15.44166306      8.45778050    -15.98931299
  H     15.87707928      8.63855592    -16.83329167
  H     18.33013082      6.88747744    -16.44460807
  O     14.11703862      4.69191106    -17.75547065
  H     15.82724424      9.04271700    -15.32539698
  H     17.29322195      6.15582204    -14.50782913
  O     17.77222539      6.09416018    -12.75180868
  H     13.33538107      4.31962338    -18.15477731
  H     16.36414230      6.88557530    -15.53773080
  O     20.51222237      5.24720238    -17.80170410
  H     13.81400391      5.34325099    -17.09710076
  H     13.99369052      7.31650191    -16.00249116
  O     18.13893393      4.15735799    -18.43413433
  H     17.62572869      5.17592952    -12.48739047
  H     13.38303861      6.36518009    -14.96335596
  O     14.87696133      3.56673098    -13.79384430
  H     18.72034892      6.27398809    -12.76120847
  H     15.81599632      3.88364669     -8.78378801
  O     15.78418827      7.84040571    -12.18901795
  H     21.18514376      4.98243417    -18.42202931
  H     15.61476987      5.17072891     -9.61580346
  O     18.47702337      2.93916037    -14.50965900
  H     19.68899210      4.79716531    -18.06922517
  H     15.50924271      3.84756327    -16.84846622
  O     13.37396560      4.01862236    -11.35918231
  H     17.53509906      4.78588080    -18.85826143
  H     16.57395949      4.55531860    -15.98431686
  O     19.20264136      8.85590442    -14.56545473
  H     17.62046059      3.75253464    -17.73234739
  H     21.23758225      6.67588005    -12.60381157
  O     20.48866424      4.79408612    -14.97814837
  H     15.24745709      3.47120517    -14.67821096
  H     20.52645831      6.03195574    -13.82087156
  O     18.95207817      7.41081032    -16.97514093
  H     14.56892675      4.48198510    -13.72332251
  H     16.26590661      3.46499902    -12.66676453
  O     17.00829053      6.17415727    -15.43107493
  H     16.00842111      8.62938573    -12.69349891
  H     16.69894031      3.65047731    -11.19472097
  O     13.42786715      6.53788811    -15.91296969
  H     16.51683057      7.21840482    -12.33209627
  H     14.57197168      7.40727423     -9.23025636
  O     15.72257886      4.20616788     -9.67677780
  H     18.09683683      2.97016520    -13.62305063
  H     15.45436421      7.33542486    -10.48522649
  O     16.26192010      3.67786294    -16.26594306
  H     17.73321549      2.97405971    -15.12103925
  H     15.42685205      5.60608842    -18.82640508
  O     20.44994446      6.72536478    -13.13750732
  H     14.09135201      4.01340441    -10.71379108
  H     16.31696487      6.85809105    -19.02169385
  O     17.04212694      3.51784978    -12.08665549
  H     13.70202428      3.50350055    -12.10638035
  H     14.40687749      6.74391510    -12.83357374
  O     15.28340733      6.91168644     -9.62967735
  H     19.22092558      8.47860801    -15.45476039
  H     13.48605039      5.54857196    -12.43684508
  O     16.20285553      5.94130959    -19.29307924
  H     19.69373660      8.23421825    -14.01475644
  H     17.66019754      9.52482280    -14.12436570
  O     13.78101025      6.09535934    -13.17859159
  H     19.83663472      4.09395547    -14.82748178
  H     16.85078787     10.79858540    -13.78455010
  O     16.76549398      9.86048605    -13.93267540
  H     20.57843415      4.89333332    -15.93170729
  H     17.20645130      9.24508445    -19.00888774
  O     16.92308042      8.60735060    -18.35877498
  H     19.60087789      6.78707109    -17.32186615
  H     17.72729606      8.23805117    -17.95405011
          69
 Energy    -247.93449815601909     
  O      0.59942898      0.92319096      4.36731397
  H      1.27273646      1.20676360      4.98223742
  H     -3.15654341      4.13575308     -1.28631911
  O     -0.42024420     -3.21109702     -2.46708985
  H     -0.17313162      0.67458154      4.89954720
  H     -1.90811343      0.56691956      6.74554299
  O     -2.00261855     -1.26123998     -1.20771792
  H     -1.08061130     -2.55036605     -2.21412184
  H     -2.52516400      0.50038355      5.33382750
  O     -0.44347833     -4.83014450     -0.07189111
  H     -0.46715934     -3.89496668     -1.78799947
  H     -1.06840033      2.87477016     -0.40566749
  O      1.66751570     -3.20550153      0.55373061
  H     -1.19132355     -0.83093922     -0.90097788
  H     -0.00821569      1.74783800     -0.25543769
  O     -3.49412394      3.66565467      1.85787130
  H     -2.70183364     -0.59859107     -1.13612915
  H     -3.32383508      0.55623271      0.42210295
  O     -4.77025947     -2.07856295      4.41581357
  H     -0.18497919     -5.73823654      0.06196886
  H     -3.52613136      1.62163706     -0.68885206
  O     -1.01556067      2.49542895      2.62143320
  H      0.30416647     -4.28223135      0.22673242
  H     -1.91432325      0.99893613      2.16279021
  O      1.89800349     -1.87595729     -1.97331625
  H      1.91079846     -2.78700201     -0.28189748
  H     -2.03659915     -0.57005313      2.18617894
  O     -5.77998946      2.21231778      2.88426469
  H      1.62270413     -2.49087802      1.20025513
  H     -2.05646487     -3.98427525      0.32528923
  O     -3.94899066      0.65368242      4.27589611
  H     -2.69858724      3.34844412      2.30599501
  H     -2.54015569     -2.58182870     -0.10705490
  O     -2.91418612      3.36884597     -0.77477438
  H     -4.24694862      3.20494288      2.24571674
  H      0.23467528     -1.45101285      2.34097455
  O     -1.71493507      0.32497117      5.84240411
  H     -4.95090443     -2.31830022      3.49914929
  H      1.07234348     -0.28487837      2.88816888
  O     -0.23725276      2.64390183      0.02626405
  H     -4.64509853     -1.12085512      4.41741423
  H      0.64260635     -0.30348662      0.49184894
  O     -3.74866781      0.71694220     -0.43771056
  H     -0.35328406      2.11617054      3.20759667
  H      0.99915372     -0.54173739     -0.99888838
  O     -2.50097921      0.25126253      1.98002901
  H     -0.61079000      2.62461629      1.74695225
  H     -3.10167682     -2.48609192      5.00303877
  O     -2.72825765     -3.31291275      0.50188714
  H      2.50455977     -1.85762548     -2.70807481
  H     -1.92516522     -1.65212954      5.55009242
  O      1.03574342     -0.92603548      2.17207273
  H      1.11071001     -2.36899623     -2.26685413
  H     -1.81180119     -2.68461622      1.96912491
  O      0.40030387     -0.06171044     -0.41347436
  H     -5.89296569      1.45967922      2.27542941
  H     -1.58458818     -2.40276207      3.50464622
  O     -2.14540808     -2.50761981      5.16772550
  H     -6.64028385      2.60826543      2.99292231
  H     -4.35321866     -2.93178164      1.22818748
  O     -1.30871927     -2.16626475      2.60695458
  H     -3.49133817      0.45504123      3.44343524
  H     -5.82880802     -3.33850122      1.38990558
  O     -5.19442935     -2.66625341      1.63149894
  H     -4.65399834      1.26431410      4.03218383
  H     -5.31018411      0.33613294      0.46685450
  O     -5.92937312      0.10192756      1.17291919
  H     -3.15787160      3.55829786      0.15005873
  H     -5.75352820     -0.82507270      1.36874143
          69
 Energy    -247.93441621356885     
  O     15.35064861      9.33860521    -15.69538276
  H     14.55778635      8.80157808    -15.58473929
  H     18.38456501      7.93595833    -17.02698308
  O     14.68760649      3.13281404    -16.66657734
  H     15.71798317      9.47140507    -14.81276210
  H     15.96797488      5.78429366    -15.97993584
  O     17.68707368      5.15369980    -11.54291259
  H     14.49606546      4.05105762    -16.90882615
  H     16.50167372      6.15610156    -14.55527737
  O     18.03186377      5.37528324    -18.84295375
  H     15.50590674      2.91173070    -17.12464190
  H     13.10487767      7.00118564    -14.61038105
  O     13.08587129      5.69166741    -10.63072522
  H     18.56852799      5.48134936    -11.75744102
  H     12.15113265      7.89853210    -15.43227150
  O     14.62323308      3.38076236    -13.95315044
  H     17.06636968      5.75374188    -11.98565470
  H     14.51796643      2.34774287    -12.43365320
  O     15.97688426      6.77621919    -12.93258092
  H     18.48252197      5.83607996    -18.12892260
  H     14.28269420      1.12206579    -11.52370427
  O     18.22950053      3.47245570    -15.31200884
  H     17.81344478      4.49404618    -18.51525369
  H     13.91239703      6.49283869    -16.59334448
  O     18.96856328      8.44933959    -13.93302582
  H     12.60519380      5.87065185     -9.82761532
  H     14.88113815      6.31761674    -17.81256550
  O     17.34113297      2.77348552    -17.78966969
  H     13.89663713      5.22666741    -10.36257337
  H     20.97856533      6.26546613    -12.12031001
  O     20.34722134      5.30335058    -15.07956256
  H     15.56251821      3.36665077    -13.73298449
  H     20.26067556      5.84042256    -13.42165435
  O     18.78616958      7.19968868    -16.54685906
  H     14.56725908      3.20977202    -14.90607133
  H     16.62295026      2.25307908    -12.33012906
  O     16.74801860      5.77926544    -15.40911588
  H     15.03893879      6.55188067    -12.97841305
  H     17.45189322      3.56767511    -12.35367215
  O     13.06334601      7.63085024    -15.35018421
  H     16.07236279      7.73638060    -12.92335516
  H     16.22537123      4.56707898    -10.40356264
  O     14.81051141      1.91099786    -11.61616979
  H     17.68892269      4.27843827    -15.35998499
  H     15.19821938      3.41297509    -10.48656250
  O     14.49404178      5.87123044    -17.04288650
  H     17.99899552      3.04777476    -14.47512739
  H     16.26888342      7.90305186    -18.70813794
  O     20.12102376      6.22154048    -12.53609845
  H     19.00670193      8.12688246    -14.84083312
  H     16.58698033      6.46275736    -19.13945214
  O     17.23217556      2.77318422    -12.86412011
  H     19.37169079      7.76387647    -13.38644689
  H     13.74015068      4.94962049    -13.57423421
  O     15.36519781      4.27313537    -10.08083973
  H     17.73660766      1.98823093    -18.16072083
  H     13.15467931      5.78722314    -12.38790691
  O     15.86067067      7.09758825    -19.04467482
  H     17.73494961      2.89730580    -16.90924018
  H     17.49336843      9.18488238    -13.42435310
  O     13.39539726      5.81922948    -13.32649058
  H     19.75621333      4.54602386    -15.19088281
  H     16.71679625     10.20329604    -12.54902187
  O     16.60225977      9.48146181    -13.16057051
  H     20.02979502      5.97679772    -15.69377270
  H     16.52497576      9.29935042    -16.97661755
  O     17.21087246      9.23370089    -17.66542801
  H     18.04856338      6.71145722    -16.14384647
  H     17.33598395     10.11207672    -18.01453729
          69
 Energy    -247.93437317554680     
  O     13.70643411     11.30627607    -15.12665249
  H     14.01080707     11.36426635    -14.21183316
  H     15.14813722      7.55941426     -9.67248868
  O     15.10575745      6.76417774    -17.04688677
  H     14.36182433     10.76606532    -15.58642873
  H     15.08488787      8.18485289    -13.67850310
  O     13.32006409      6.20088568    -11.85875355
  H     14.26825584      6.39661908    -16.73829894
  H     14.28394566      9.24608788    -12.89523644
  O     17.05845012      4.57041047     -9.88840828
  H     15.07415196      7.71651116    -16.90272574
  H     16.29803308      9.92473159    -16.95038076
  O     13.00242326      5.14947233    -15.89768221
  H     13.58849954      7.00365011    -12.33562126
  H     16.17240069      9.15704581    -15.61801237
  O     14.81582584      9.26217993     -9.24784464
  H     12.35628345      6.19267080    -11.83407241
  H     10.58404889      6.42877668    -13.09746115
  O     19.05216048      5.81002271    -11.53579512
  H     17.09309385      4.24027462     -8.99415486
  H      9.76120704      5.87913055    -11.90522569
  O     11.97330365      9.20826656    -14.63253730
  H     16.44554815      5.32525364     -9.88301630
  H     10.74086241      8.27844373    -11.90284344
  O     16.51805999      3.20274388    -12.34031146
  H     12.82859221      4.37917069    -16.43513259
  H     11.19665558      9.33973189    -12.91974499
  O     18.71022883      4.23691572    -13.90132960
  H     13.50543594      4.83864041    -15.12697269
  H     14.07408846      5.04074968    -13.01343411
  O     16.64935205      5.53090818    -15.16155163
  H     13.98909733      9.67257260     -9.53121722
  H     15.12894059      3.91347220    -13.20732584
  O     15.37877467      6.72358580    -10.10443876
  H     15.51743084      9.80186923     -9.63072316
  H     11.55041881      6.13842835    -15.22272623
  O     14.23659441      8.34750525    -13.25084838
  H     18.50447032      5.31882850    -10.90939104
  H     11.12365770      7.58861532    -14.90011608
  O     15.66132065      9.55015846    -16.34457050
  H     19.05175080      5.29033970    -12.34917705
  H     12.02193875     11.27225449     -9.88084610
  O     10.53780293      6.38610803    -12.12403981
  H     12.73231534      8.76083648    -14.22948956
  H     11.95779123     10.10487171    -10.89183780
  O     10.98077607      9.20814168    -11.98688107
  H     12.34054876     10.04242919    -14.95228968
  H     16.88023244      7.23447803    -14.57335557
  O     14.51570427      4.49604341    -13.67960149
  H     17.32412613      3.38835317    -12.83705377
  H     17.13211812      8.16531468    -13.35309317
  O     10.86673077      6.66219894    -14.78817885
  H     16.66162033      3.57668605    -11.46176093
  H     15.34328991     10.96010902    -11.90081967
  O     12.56223940     10.63773751    -10.34423039
  H     18.05453634      4.70507321    -14.44539075
  H     13.81027481     11.00008203    -11.67388124
  O     16.83546774      8.15280483    -14.27265538
  H     19.31595542      3.81455628    -14.50511404
  H     17.16899124      9.69179675    -11.10872948
  O     14.49302577     10.97658939    -12.35827586
  H     15.93308540      5.18004217    -14.61287012
  H     17.61831216     11.07816427    -10.59375172
  O     16.85013847     10.57152103    -10.84454654
  H     16.23030225      5.89318975    -15.95642087
  H     16.67243244      7.58251869    -11.13247788
  O     17.42934731      7.99531451    -11.57058111
  H     14.61865021      6.46212930    -10.64231788
  H     18.13553317      7.33236359    -11.57001973
          69
 Ord_Energy   -247.934280    
 O    8.18048477       2.16136360      -3.85204887    
 H    7.80445719       3.05652046      -3.90174508    
 H    8.77153206       2.07122326      -4.59530020    
 O    3.79117250     -0.617173672      -1.63743663    
 H    4.55197001     -0.205482885      -2.06702971    
 H    3.92097449     -0.531498849     -0.684380412    
 O    6.25839043       2.22605419     -0.421645194    
 H    6.18456125       3.16220832     -0.663685560    
 H    5.81584978       2.12089539      0.426115423    
 O    8.96123600       2.45141673      -1.03218448    
 H    8.07610035       2.21257043     -0.719630063    
 H    8.91331577       2.34136081      -1.98666739    
 O    3.12365079       4.64314413      -1.66344106    
 H    3.08511543       5.43223095      -2.22492981    
 H    3.14249754       3.87778568      -2.25220466    
 O    1.61549115       1.53781521      0.460799098    
 H    2.23170900      0.853165329      0.747834504    
 H    1.49788094       1.39584911     -0.485475451    
 O    3.47520328       2.54619884      -3.51567388    
 H    2.73220778       1.99233294      -3.24349856    
 H    4.28067160       2.04573965      -3.31706905    
 O    6.07889271       7.27500916       1.22805797E-02
 H    7.03765106       7.26057053      0.124548122    
 H    5.65674353       6.85750484      0.779012918    
 O    1.61120641      0.808581054      -2.36955023    
 H    2.34668493      0.214336574      -2.13023925    
 H   0.904081821      0.256759644      -2.69345641    
 O    6.90260315       3.94818926       2.84579587    
 H    7.37541580       4.01348495       3.67127514    
 H    7.55500793       4.10520744       2.13911557    
 O    4.90529537       2.18358803       2.00679278    
 H    4.22856474       2.80616760       1.69760239    
 H    5.60905552       2.70522237       2.41371012    
 O    5.73952198       1.08896041      -2.81808519    
 H    6.55820370       1.26499391      -3.29399800    
 H    5.88443089       1.43512583      -1.92179787    
 O    3.46536899       6.66608238      -3.46370387    
 H    3.83189106       6.09079933      -4.14563751    
 H    4.17463636       7.26070595      -3.18854260    
 O    8.02296829       7.07386303      -2.94536066    
 H    7.79450226       6.24693632      -3.38750768    
 H    7.20455503       7.58594084      -2.91365695    
 O    4.90181351       5.80444193       1.97377253    
 H    5.56224394       5.21144009       2.35315204    
 H    4.14223957       5.25440407       1.74633145    
 O    3.81061816     -0.203801140       1.20092392    
 H    4.24807549      0.580251992       1.57196581    
 H    3.82670879     -0.871368349       1.88270843    
 O    8.69295788       4.45452309      0.886660814    
 H    8.91743279       3.79033756      0.219631135    
 H    8.81530857       5.31350422      0.468285412    
 O    2.96245646       3.89574623       1.00642681    
 H    2.99314833       4.25655985      0.109194763    
 H    2.35790420       3.14140415      0.943041384    
 O    5.84806156       4.78583765      -1.31861830    
 H    4.88864851       4.74240828      -1.43763697    
 H    6.02641916       5.59329414     -0.824974000    
 O    6.92662334       4.61060715      -3.84005928    
 H    6.59548759       4.66366339      -2.92884898    
 H    6.14927816       4.63231897      -4.41139889    
 O    5.51541805       8.36076736      -2.42682242    
 H    5.33510733       9.29546356      -2.35813260    
 H    5.62726498       8.03188229      -1.51750839    
 O    4.43762350       4.53561258      -5.17152023    
 H    4.14696312       4.41845226      -6.07274961    
 H    4.03459740       3.81798673      -4.65400839    
 O    8.86108017       7.02149343     -0.344296187    
 H    9.62357616       7.58386660     -0.235586971    
 H    8.65287685       7.01465654      -1.29522395    
          69
 Ord_Energy   -247.934174    
 O   -3.50679851      0.341944635       1.56899107    
 H   -3.59520411       1.22154427       1.95984471    
 H   -4.10825729     -0.221945509       2.06970692    
 O   -7.40901852     -0.743820667       1.24599266    
 H   -8.30596256     -0.412465990       1.36437428    
 H   -7.04813766     -0.278116435      0.478801399    
 O   -7.15274000       4.95223331     -0.897269428    
 H   -6.76736689       5.81789589     -0.713516355    
 H   -6.75325489       4.31742001     -0.286410958    
 O   -3.61888313      0.866599262      -1.08933413    
 H   -2.93482590      0.411616027      -1.57318735    
 H   -3.51896381      0.607741475     -0.154402494    
 O   -6.46701336       2.95984030      0.937842548    
 H   -6.45278549       2.20272756      0.335076511    
 H   -7.29565001       2.92152929       1.43256283    
 O   -3.85758400       6.19105339      0.668020189    
 H   -3.80438471       6.03138161       1.61799288    
 H   -3.57005239       5.37534094      0.235090673    
 O   -9.55394077       4.94552994      0.537549913    
 H   -8.73744869       4.98647785       1.66558307E-02
 H   -9.42650890       4.24721861       1.19708359    
 O   -8.93184662       2.88684821       2.27196884    
 H   -8.67579269       2.93127966       3.20258546    
 H   -9.32011795       2.01957893       2.09968877    
 O   -8.11886406       1.19435441      -2.97877741    
 H   -8.24305248       2.15793228      -3.05753350    
 H   -8.15824413      0.836889207      -3.86150837    
 O   -4.17909479       2.92957187       2.44692993    
 H   -4.99836731       3.00144672       1.92749941    
 H   -4.00162506       3.79075837       2.84705544    
 O   -3.90504909       5.49731731       3.44026136    
 H   -4.85176563       5.54105616       3.67412376    
 H   -3.42273474       5.90948915       4.15107203    
 O   -5.49523401      -1.00561380       3.11213422    
 H   -5.48278713      -1.90290678       3.43317151    
 H   -6.21377325     -0.950243890       2.45572710    
 O   -11.0689907       3.95654917      -1.50476408    
 H   -11.8864107       4.42998075      -1.63378394    
 H   -10.6260700       4.36448145     -0.740518153    
 O   -8.60338402       3.84205604      -2.98595214    
 H   -9.49534893       3.96276593      -2.63933420    
 H   -8.01318741       4.27954388      -2.35464811    
 O   -10.2885704       1.24946415      -1.08484828    
 H   -9.58731747       1.11970484      -1.73355222    
 H   -10.6381273       2.13574386      -1.24134219    
 O   -3.14723921       3.61320496     -0.162596241    
 H   -3.33536696       3.35985160      0.749553919    
 H   -3.28420949       2.80696273     -0.669841409    
 O   -5.72982693       1.51654661       4.38004398    
 H   -5.12181616       2.02243614       3.82734346    
 H   -5.69091749      0.611685216       4.04650259    
 O   -6.51599884       5.49010611       3.99732304    
 H   -7.07136011       5.97533274       3.36874199    
 H   -7.02668142       4.73792410       4.31067944    
 O   -6.12602425       7.40697002      -6.35600537E-02
 H   -5.27060413       7.01671314      0.195863366    
 H   -5.93205643       8.23047829     -0.501925111    
 O   -9.99855709      0.429008722       1.46405590    
 H   -10.7783709      -5.32514192E-02   1.72530544    
 H   -10.1287832      0.690663934      0.533851266    
 O   -6.38983107      0.825315237     -0.823605716    
 H   -6.91483021      0.927017450      -1.62732160    
 H   -5.45320368      0.807384372      -1.06128275    
 O   -7.88281822       3.07240248       4.83240175    
 H   -8.16641617       3.00242281       5.73974085    
 H   -7.11880732       2.47627044       4.72699976    
 O   -7.96741199       6.82709551       2.06326413    
 H   -7.35998726       7.12168074       1.37268782    
 H   -8.65660858       6.32625246       1.61311495    
          69
 Energy    -247.93414373678542     
  O      1.77120869      1.27227974      4.74941104
  H      1.19274414      2.04742644      4.67851676
  H     -2.41398275      3.52442593      1.19798716
  O      1.05444095     -0.35681569     -2.89024862
  H      2.41319372      1.47185278      5.42750398
  H     -2.38735176      0.26965060      4.23421204
  O      0.05186227     -1.06772660      5.25391491
  H      0.24531865     -0.06438372     -2.45099513
  H     -3.34008095     -0.20821408      5.36428539
  O     -0.98912645      0.41985726     -1.05759132
  H      1.23545303     -1.23651651     -2.53528141
  H     -0.08721073      2.69064395      1.25763647
  O      1.63618169     -2.70924628     -1.35384392
  H      0.64394956     -0.30994866      5.20106960
  H     -0.42667447      3.21513814      2.68959158
  O      3.30129730     -1.01346713     -0.03713639
  H     -0.83253521     -0.69785262      5.39656962
  H     -2.54988002      1.25368025     -1.20491983
  O     -4.56860942      3.47998718      3.34965260
  H     -1.00096350     -0.47222200     -0.68405555
  H     -3.69345818      1.76449043     -2.11095182
  O      0.11226295      3.50068427      4.47159461
  H     -0.30777209      0.91527982     -0.58309460
  H     -2.88780728      0.37515406      1.91621618
  O      2.95308472      1.25363785     -1.78713011
  H      2.08334407     -3.52107566     -1.57749375
  H     -1.72315677      1.37636401      2.22161123
  O     -5.68404274      0.84176156      3.19194229
  H      2.26962733     -2.16889098     -0.84814411
  H      0.00774325     -2.47854680     -0.49033469
  O     -5.05876827     -0.69709800      5.36258032
  H      2.98398898     -0.70656633      0.82268919
  H     -0.56726852     -2.08856896      0.90712002
  O     -3.34014622      3.61606548      0.93037030
  H      3.36273667     -0.22842511     -0.59489210
  H      1.22958379     -0.57509518      2.29788156
  O     -2.46131781      0.16030061      5.19377147
  H     -5.16675412      4.21772116      3.44130423
  H      2.05125464      0.47846943      3.07081330
  O     -0.80749528      2.97326748      1.83768010
  H     -4.17833233      3.54889787      2.46071569
  H     -3.15817462      3.15074854      4.57124005
  O     -3.41893004      1.68984657     -1.20050095
  H      0.30815444      4.39608299      4.73470685
  H     -2.46816253      1.98662009      5.32031798
  O     -2.08630079      0.50991171      2.43827564
  H     -0.80024583      3.31493507      4.76526742
  H      1.76392800      1.77651572     -0.44061509
  O     -0.78998106     -2.18951409     -0.03121151
  H      3.50164852      1.70044423     -2.42565992
  H      1.42322366      1.18681586      0.95310522
  O      1.97339664      0.03996336      2.21557934
  H      2.31666487      0.71304604     -2.28888399
  H     -0.94034352     -0.82783788      2.47114723
  O     -2.40603106      2.93456538      5.13529464
  H     -5.34144630      0.51286763      2.35038727
  H     -0.12689863     -1.60928665      3.52158371
  O      1.09849803      1.77848548      0.25746295
  H     -5.35051120      1.74268773      3.27985826
  H     -3.76575114     -3.38107188      0.40936329
  O     -0.27499736     -1.52823296      2.56876080
  H     -5.35755512     -0.17749277      4.59593851
  H     -2.58461910     -2.49713286     -0.01929410
  O     -3.55015000     -2.51618077      0.06747746
  H     -5.84659380     -0.93925435      5.84048884
  H     -4.17204569      0.58008380      0.11145589
  O     -4.33552075      0.00556514      0.86875547
  H     -3.44475836      3.05273166      0.15584743
  H     -4.15478730     -0.90242463      0.58479003
          69
 Energy    -247.93411101089157     
  O     10.66405456      9.55211004    -13.08548148
  H     11.17244346      8.83480164    -12.66400961
  H     18.76680611     10.63514722    -15.68679195
  O     16.88084506      8.12915383    -14.78943573
  H      9.75508558      9.43743931    -12.82186157
  H     13.78135537     13.51658295    -14.66462666
  O     17.28348559     11.45977932    -11.62349183
  H     17.48066459      8.50126385    -14.12460528
  H     12.51410869     14.40134789    -14.66921902
  O     15.48775145     13.40719687    -14.95532847
  H     16.04822881      8.62541734    -14.72619191
  H     13.73504488      9.45679083    -14.79213235
  O     12.75526172      6.65411838    -16.09394057
  H     17.52648687     12.15519407    -12.24528929
  H     14.65721378     10.06863888    -13.68290828
  O     16.67313563      8.11422240     -8.92373880
  H     16.34265348     11.26171251    -11.75617505
  H     12.94243116      7.79013487    -11.50038737
  O     15.79366077      6.41362849    -12.83620438
  H     16.32163922     13.41269024    -14.47405774
  H     12.44996687      6.82742748    -12.59164327
  O     14.71749682     10.66717926    -11.98449591
  H     15.58228503     12.73332367    -15.64290579
  H     12.92074293      4.60132350    -13.70854807
  O     17.81072554      9.54864789    -16.97274285
  H     12.44556333      7.56220127    -15.94020973
  H     13.09996997      5.86687065    -14.57930994
  O     18.06418264      7.04544032    -11.21677104
  H     13.00742511      6.61370987    -17.01266382
  H     18.45786367     12.48797318    -14.18049813
  O     15.49256632     11.20709039    -16.68416641
  H     16.67635662      7.81072448     -8.01976959
  H     18.65970773     13.94212235    -13.69436687
  O     19.13135614     11.05069722    -14.89748367
  H     17.07873042      8.99866238     -8.92510597
  H     18.09306614      9.96698750    -12.37142129
  O     12.80879232     13.49652166    -14.60396866
  H     16.16943691      6.87828459    -13.59616017
  H     18.51108869      8.47418769    -12.24131705
  O     14.64871303      9.65670761    -14.55696871
  H     14.97761935      5.99672019    -13.13940522
  H     17.64839817     10.96703580     -9.95218490
  O     12.17289472      7.56890979    -12.04118429
  H     13.85540550     11.10902199    -12.00430959
  H     18.55537297     11.06134343     -8.71448966
  O     13.26978596      5.48907230    -13.69869488
  H     14.62906212      9.81444870    -11.53718484
  H     12.60564899     12.27290672    -16.04777878
  O     18.04096115     13.21649735    -13.68566235
  H     17.50612207      8.93522003    -16.28269461
  H     13.59021559     11.51573721    -16.95551538
  O     18.51740784      9.23524528    -12.83921793
  H     18.23597588      9.01831348    -17.64192304
  H     15.26340397      8.10900947    -10.13787244
  O     17.81720902     10.57919031     -9.07803360
  H     17.67394617      7.32190789    -10.37905765
  H     15.08775735      7.56048719    -11.57676685
  O     12.65583273     11.58125298    -16.72044096
  H     17.35014937      6.62411369    -11.71272339
  H     12.38661014     12.38756166    -13.14810382
  O     14.67585030      8.12080369    -10.90290085
  H     16.28842341     10.75556173    -16.98289713
  H     11.65825633     11.11329702    -12.63735874
  O     12.29171171     11.79711046    -12.38923300
  H     15.18404549     10.70225779    -15.91405384
  H     11.46553442      9.38322977    -14.73376589
  O     12.03834204      9.22080004    -15.49351552
  H     19.10921379     10.37413366    -14.20600744
  H     12.13651157     10.04728291    -15.99067879
          69
 Energy    -247.93404945810911     
  O     16.19097242     11.93905786    -14.86191797
  H     16.15358609     11.14865185    -15.42411400
  H     13.82240706      7.12980257    -16.56719145
  O     14.13005658      6.35243209    -13.48922407
  H     16.51125224     12.64982562    -15.41277248
  H     18.49031868      5.37670486    -11.87564955
  O     16.39220093      7.23111882     -9.67272239
  H     14.09481920      6.23793683    -14.45040811
  H     18.71479741      3.88838009    -12.23854409
  O     18.41065869      8.63586971    -13.15422457
  H     13.31933409      6.78344527    -13.18555156
  H     15.11060457      7.83161442    -13.52879972
  O     13.20848936      8.88373378    -17.02020518
  H     16.08499694      6.55488618    -10.29487003
  H     15.67286343      8.92793002    -14.49101502
  O     12.34130443      8.39524751     -8.80362283
  H     15.81467424      7.17552535     -8.90191195
  H     14.50194621     11.58988601    -13.95345435
  O     12.03730735      7.81814883    -12.41073403
  H     18.46549896      9.57733303    -12.94139980
  H     14.31543821     10.16372225    -13.45268659
  O     15.93573133      9.64153816    -10.95183482
  H     17.46795574      8.48321424    -13.30063759
  H     13.82874987      5.53876142     -8.84745408
  O     16.98699916      7.06334746    -16.90617997
  H     12.66376339      9.05593572    -16.23081630
  H     14.19336550      4.92576182    -10.21571604
  O     11.17154943      6.22500361    -10.29612933
  H     12.66067129      9.06834970    -17.77815801
  H     11.75238480      8.79706889    -14.01506483
  O     18.36458215      6.33825530    -14.71905115
  H     11.80425913      7.73005876     -9.25165055
  H     12.42382746     10.13250168    -14.38114365
  O     14.28408772      6.35863623    -16.21577026
  H     12.54738138      9.06570035     -9.46737780
  H     18.13599540      7.02832438    -10.37904668
  O     18.15532378      4.63927219    -12.41894480
  H     11.61752792      7.23387705    -11.76608236
  H     18.81993515      7.54575930    -11.66347603
  O     15.57605923      8.67868330    -13.56261234
  H     12.44137922      8.53496680    -11.90238691
  H     15.05045486      5.55690057    -12.20267266
  O     13.84947501     11.00602697    -13.55101193
  H     15.86204766      9.31323226    -11.85940799
  H     16.39678299      4.89310407    -11.79867689
  O     13.47844019      5.00348099     -9.57005963
  H     16.16615496      8.87039532    -10.41485746
  H     14.37699873      7.04427253     -6.75812891
  O     11.88216330      9.41758683    -14.74309165
  H     17.49652888      6.75505610    -16.13488467
  H     13.67780974      7.55641263     -8.03988176
  O     18.84881039      6.84017145    -11.00347278
  H     17.45365199      6.75893652    -17.67990450
  H     13.16520475     10.61027994    -11.72147811
  O     15.56339468      5.22910684    -11.44883544
  H     11.96972503      5.71439936    -10.06826718
  H     14.14627032      9.87989811    -10.80565594
  O     14.40131826      6.99426494     -7.70980278
  H     10.42238090      5.66989630    -10.09849221
  H     17.24997539     11.55037330    -13.22064167
  O     13.20023753      9.98254535    -10.99146984
  H     18.25997479      5.65586919    -14.04646951
  H     17.19048045     10.92382392    -11.80850942
  O     17.79725505     11.24722031    -12.48707832
  H     18.60854545      7.14330739    -14.24171511
  H     16.33407639      8.75450783    -16.52891591
  O     15.82235964      9.51408798    -16.21864088
  H     15.20348528      6.46149204    -16.49062079
  H     14.92091613      9.39228985    -16.54928552
          69
 Energy    -247.93404185384213     
  O     11.51116971     10.69435372    -13.92489436
  H     12.03546616     11.49526481    -13.81181378
  H     15.46184628      5.13689596    -16.68595831
  O     15.93624495      6.81834312    -13.58747122
  H     11.88060622     10.25118955    -14.70143794
  H     15.13736334     11.90304107    -16.26656871
  O     17.17073327     10.26886918    -11.04428752
  H     15.88545011      6.34984752    -14.42847239
  H     16.17392003     12.48563703    -15.26930244
  O     18.01802760     12.36518805    -14.72982681
  H     15.50576217      7.67505249    -13.74460546
  H     14.95239384      9.95123778    -13.41435619
  O     12.91833874      6.65509841    -15.63507609
  H     16.36214601     10.64057069    -11.42954894
  H     15.95097770      9.51948568    -14.53159512
  O     15.88384016      8.99009772     -8.98336329
  H     16.88790306      9.84342542    -10.22258370
  H     10.07378629      9.04772486    -11.66278003
  O     14.47142348      6.51482597    -11.27483964
  H     18.23246069     12.41448903    -13.78235897
  H     11.14369835      9.61867025    -12.62274842
  O     14.74412992     11.04115001    -12.00002583
  H     18.66015141     12.90600669    -15.18377927
  H     19.71482067      6.15449147    -10.57327602
  O     16.41490916      8.47999477    -17.21616992
  H     12.79246733      7.58598023    -15.85729616
  H     18.68355114      7.02512474    -11.30705714
  O     16.41217569      6.17469206     -9.23812300
  H     12.61232327      6.55194558    -14.72213363
  H     12.86445630      6.39794272    -12.32615899
  O     17.76032044      9.58550948    -15.03177555
  H     14.98830011      9.08165944     -9.33307008
  H     11.69285593      7.34735915    -12.62500423
  O     15.44363909      5.96181652    -16.20922150
  H     16.06041479      8.04202485     -8.95291360
  H     18.97442353     12.90391283    -11.38037520
  O     15.24271770     12.50331462    -15.51791644
  H     15.06732618      6.28504994    -10.55259918
  H     18.19472095     11.60456546    -11.63201477
  O     15.08513835      9.33443105    -14.14497992
  H     15.00740177      6.51834048    -12.08173883
  H     17.40828475      7.63761980    -12.92507502
  O     10.99897736      8.99702696    -11.88683368
  H     14.19301325     10.43469283    -11.48187479
  H     17.79744284      8.89043903    -12.06176026
  O     18.79686021      6.41292559    -10.56336098
  H     14.19204814     11.72014163    -12.40424216
  H     15.41828468      9.86599039    -17.57430268
  O     12.15813987      6.57208213    -12.95985205
  H     17.02875044      8.78490858    -16.53362148
  H     14.85835926     10.85577652    -18.62079057
  O     18.63572220     12.34678662    -12.07643609
  H     16.09983895      7.61390058    -16.93165841
  H     12.56084562      9.05596405    -10.89961172
  O     18.15247030      8.17423397    -12.60992569
  H     16.48744045      5.52929797     -8.53987758
  H     13.82907446      8.17566110    -10.84765346
  O     14.86638266     10.66081918    -17.68755349
  H     17.27783632      6.21360986     -9.67940754
  H     13.14721330     13.78407743    -13.55448976
  O     13.47585411      9.04028495    -10.59042092
  H     17.95825119     10.52637511    -14.94800495
  H     14.00367359     12.74953303    -14.32240549
  O     13.35040517     12.85419917    -13.60675741
  H     18.10160702      9.13446527    -14.24895603
  H     13.41578664      9.89282836    -16.67575331
  O     12.98998902      9.45505524    -15.93133616
  H     14.50440475      6.16609564    -16.03763209
  H     13.69197309      9.36155371    -15.26620545
          69
 Energy    -247.93400469194819     
  O     -7.47244030     -2.50403223      5.97685902
  H     -8.04004938     -1.79446229      6.29828179
  H     -7.72065190     -1.41483685     -0.23734282
  O    -10.17558287     -2.44035716      2.51890648
  H     -6.56722975     -2.19479780      6.10812729
  H     -4.58653167      1.72793933      3.13879922
  O     -8.03141791     -3.89818704      3.71526340
  H     -9.51899381     -3.02251474      2.91972357
  H     -4.70692734      1.04132862      1.74054719
  O     -5.69878005      1.03692914      0.19694681
  H    -10.33603694     -1.74608804      3.16995936
  H     -7.14344753     -0.62714300      2.91596561
  O     -6.51296701      0.94038846      5.73201874
  H     -8.02696231     -4.83061692      3.91415554
  H     -7.15321050      0.44154469      4.05246913
  O     -5.01875451      5.40606604      1.21789672
  H     -7.85662154     -3.43139170      4.55225781
  H     -4.53504979     -1.37350481      5.34297900
  O    -10.61226275      1.34678054      0.28571941
  H     -5.95036646      0.15376579     -0.09583239
  H     -4.18737744     -1.48164000      6.84911900
  O     -8.84492435     -0.08774981      6.76434296
  H     -6.52171778      1.47239394      0.46637590
  H     -1.18868988      2.06363955      1.61291525
  O     -4.07840903     -1.39951430      3.70281479
  H     -5.86729361      0.25657880      5.95496190
  H     -2.68864321      1.96389292      1.97302872
  O     -4.05019917      3.31496917     -0.24168266
  H     -6.03848356      1.70658989      5.37715760
  H    -11.78306706      2.37800526      3.31947746
  O    -10.12312556     -0.17991684      4.24317744
  H     -4.71027042      4.69007676      0.63528061
  H    -11.19029014      0.96059738      3.35707685
  O     -6.76494796     -1.54407677     -0.38942830
  H     -4.98523457      6.20897779      0.70466806
  H     -6.46702401     -2.09383044      1.35268167
  O     -4.15069050      1.11810317      2.52817639
  H    -11.21396342      1.69187763     -0.36858812
  H     -6.92300492     -2.85816728      2.65140113
  O     -7.58187789      0.17399603      3.23006875
  H    -11.05406352      1.43460267      1.14800794
  H     -9.69044621     -1.70254111      0.94410912
  O     -4.89958072     -1.29510231      6.24423934
  H     -9.02585969      0.22551398      7.64684406
  H     -9.83444811     -0.38841650      0.13894264
  O     -2.00369904      2.55844489      1.62032379
  H     -8.05382991      0.38761224      6.45615605
  H     -3.82381817      4.96174513      2.68051590
  O    -11.65710089      1.59444473      2.78917276
  H     -3.96892212     -0.51867586      3.31935940
  H     -2.66331073      3.96856070      2.80706687
  O     -6.33973697     -2.17009251      2.30657188
  H     -4.79446635     -1.80494888      3.19369062
  H     -6.00945582      3.37113898      3.86185884
  O     -9.36054218     -1.22609816      0.16790523
  H     -3.24783397      3.08262854      0.24280152
  H     -4.50823045      3.50695495      4.20422979
  O     -3.25404965      4.52571434      3.32776050
  H     -4.60052382      2.52091692     -0.24500386
  H     -8.91127798      1.86744583      0.84025438
  O     -5.28270037      2.94473004      4.34353464
  H     -9.91023686     -0.17313164      5.18269500
  H     -7.93332451      1.37087447      1.94575155
  O     -8.04633967      2.02239510      1.23556632
  H     -9.27011598     -0.07865863      3.79199533
  H     -7.50655766      3.52777657      2.15435907
  O     -7.09798230      4.18675958      2.73139257
  H     -6.67997365     -2.05643258     -1.18861212
  H     -6.47696005      4.68285967      2.18204864
          69
 Energy    -247.93397315820505     
  O     20.03354240     11.99941524    -17.75218162
  H     19.71859163     12.83595514    -18.12359048
  H     20.63655254     17.21186627    -19.39570899
  O     18.05912429     18.51023783    -14.55188840
  H     20.87341936     12.23018877    -17.33546255
  H     14.75220715     13.63755266    -12.64227329
  O     22.20808355     13.15096468    -16.28040006
  H     17.98583148     19.45744790    -14.47900058
  H     15.80052203     12.83848005    -11.83208291
  O     14.57482502     15.28255215    -13.48021333
  H     17.97116131     18.29093819    -15.49834380
  H     21.34659487     16.15286132    -15.57501513
  O     16.07418826     11.56916601    -16.13440982
  H     23.14294801     12.97119254    -16.22789362
  H     21.44314285     16.28046236    -17.10713415
  O     17.60206587     12.63916800    -11.19249020
  H     22.11305124     14.11845836    -16.35204058
  H     16.74717177     10.35539147    -13.15002892
  O     14.94292585     10.52796198    -13.77786996
  H     13.85905270     15.90824642    -13.41396090
  H     18.16444945     10.49793857    -13.72199661
  O     19.07215252     14.51548031    -18.53362064
  H     15.39347835     15.75735988    -13.24332034
  H     16.12560074     15.38354198    -18.77078774
  O     16.91440718     16.45597299    -12.96466561
  H     15.59617433     11.13700265    -15.41649511
  H     15.78461075     15.44475859    -17.28087057
  O     20.19387781     12.97708515    -14.32511482
  H     15.91401630     12.52075803    -16.04564697
  H     19.87201866     16.08511769    -13.52833996
  O     17.21462924     11.56792229    -18.69703378
  H     17.73795353     12.32062383    -10.30316677
  H     19.51788101     17.39015137    -14.29946638
  O     20.34437453     16.92150819    -18.53531935
  H     17.70810888     11.86989894    -11.78029447
  H     17.26359257     17.20386717    -17.48608446
  O     14.94356998     12.76778431    -12.26987239
  H     14.20514548      9.96802359    -13.55305903
  H     18.76017662     17.59700059    -17.63061239
  O     21.83061963     15.82987757    -16.34800288
  H     14.85897578     11.33709657    -13.24040577
  H     18.57767784     14.09270622    -11.89243301
  O     17.66750605     10.50006654    -12.89510328
  H     18.79333237     14.62079265    -17.60999782
  H     19.55169817     14.09474765    -13.06748521
  O     16.01030579     16.00006585    -18.03930153
  H     18.27744960     14.39234081    -19.06766735
  H     19.21544751     11.19771339    -16.28911829
  O     20.10306490     16.62158041    -14.29739262
  H     17.65857442     15.86762656    -12.78470756
  H     17.79484380     11.18429969    -15.68240356
  O     17.95917615     17.77420880    -17.12686517
  H     17.25625050     17.19969124    -13.47542789
  H     19.04737495     14.01091524    -15.38257835
  O     19.08811282     14.68742950    -12.45624703
  H     20.98022577     13.01466699    -14.88384938
  H     18.92927172     15.53331544    -15.46532986
  O     18.72124916     10.98083202    -15.48707184
  H     19.69345768     12.19384856    -14.59524960
  H     16.80093051     13.05379328    -19.52548339
  O     18.55001262     14.71802637    -15.81203138
  H     18.14760148     11.45260289    -18.49234890
  H     16.44954059     13.80377016    -20.82984089
  O     16.71153920     13.93845727    -19.92320805
  H     16.73789472     11.46404974    -17.86106448
  H     15.34708385     14.63116637    -15.03446892
  O     15.81219204     14.29283272    -15.80859886
  H     19.94012454     16.04441648    -18.65622293
  H     16.75404535     14.49789479    -15.70506253
          69
 Ord_Energy   -247.933899    
 O   -6.76929903       5.76245165       2.55296040    
 H   -6.64974070       6.23845625       1.72303534    
 H   -6.49844980       4.84620810       2.41333246    
 O    1.23361993       5.79457855       3.04915142    
 H    2.17721748       5.93459749       3.01135921    
 H   0.825760424       6.67745543       3.08694601    
 O   -4.01530313       3.04959464      0.265026450    
 H   -4.00300217       3.99161100       5.15204407E-02
 H   -4.65083170       2.96020675      0.984424710    
 O   -2.06120753       4.16722631       3.06097531    
 H   -1.80242705       3.65527272       2.28451324    
 H   -1.33901811       4.13826418       3.70302343    
 O   -3.20099592       6.52991819       2.72554684    
 H   -2.74281931       5.68464422       2.86388850    
 H   -3.98496103       6.55150747       3.28807068    
 O   -6.10930061       7.35370731      0.251469076    
 H   -5.32919931       6.81862259       2.72516198E-02
 H   -6.61285067       7.45847702     -0.552320898    
 O   -3.83093572       5.86895561       3.61804217E-02
 H   -3.65546870       6.01982546      0.975512743    
 H   -3.03173876       6.13597107     -0.437035173    
 O   -1.34356475       2.68778419      0.846679330    
 H   -1.15803754       1.87629247       1.34205174    
 H   -2.26528955       2.66544461      0.548930764    
 O   -4.65506363       9.44113636       1.65568972    
 H   -5.20360804       8.81275368       1.17216325    
 H   -3.74799681       9.30442619       1.35149097    
 O   -2.02062559       8.52337170       1.13009751    
 H   -1.75288320       8.06169987      0.325368047    
 H   -2.40549278       7.84522820       1.70670485    
 O   -2.21972919       8.23248291       4.82831287    
 H   -2.42403507       7.58766508       4.13657570    
 H   -2.97589469       8.82993603       4.83273697    
 O   -9.63727534E-02   4.17414856       4.97376394    
 H  -0.568670273       4.79406786       5.55349922    
 H   0.487956434       4.69325161       4.40703440    
 O   -5.32020998       6.76925182       4.57787371    
 H   -5.96705341       6.47124386       3.91793132    
 H   -5.27439690       7.73299694       4.57177258    
 O   -1.69727707       5.90739679       6.36474085    
 H   -2.58908439       5.56365442       6.49506855    
 H   -1.81017756       6.79561758       6.00446844    
 O    8.39568954E-03   8.23093796       3.10600090    
 H  -0.513485551       8.47875214       2.33264518    
 H  -0.571572423       8.39867592       3.85922027    
 O   -5.84902716       3.03925776       2.49398184    
 H   -5.24928904       2.94790697       3.25260258    
 H   -6.46332884       2.31002355       2.54797173    
 O   -4.00809240       2.94776130       4.55526876    
 H   -3.32235646       3.35127783       3.99909496    
 H   -4.17588139       3.56777024       5.27644968    
 O   -4.75459576       9.51477528       4.36599207    
 H   -5.15260983       10.3282566       4.66351843    
 H   -4.73770142       9.55082321       3.39249659    
 O   -1.38023102       6.75160456     -0.975252450    
 H  -0.989826798       6.83612108      -1.84020424    
 H  -0.810836136       6.14414215     -0.466060996    
 O   -4.41908026       5.00386238       6.44106340    
 H   -4.96895504       5.02701759       7.22030306    
 H   -4.77977228       5.66101837       5.82043695    
 O    7.32335076E-02   5.05014372      0.493011922    
 H  -0.317833155       4.16576910      0.542186499    
 H   0.470062107       5.23183060       1.35156143    
 O   -1.40309680       1.61900175       5.04282331    
 H  -0.862105370       2.41205144       5.15780258    
 H   -2.32140636       1.91017485       5.05985165    
 O  -0.881957531      0.573181331       2.53294063    
 H  -0.504007697     -0.298071206       2.61665964    
 H   -1.04478204      0.881676316       3.43908191    
          69
 Energy    -247.93386869180051     
  O     16.17442307      9.83393658    -11.86075140
  H     16.64550312      9.45362343    -11.10747341
  H     13.25595045      9.32826851     -7.59431209
  O     19.32112613      5.13719016     -9.13917938
  H     15.42131726     10.33491216    -11.51419385
  H     11.94201043      8.70133919     -9.47223277
  O     16.23072972      4.13393638    -11.38009485
  H     20.16623094      4.76630827     -9.38296240
  H     11.29158228      7.35156672     -9.83072890
  O     13.93223131      5.67437911    -11.02251610
  H     18.94800756      5.52842153     -9.94583415
  H     15.08810626      8.73435781     -5.73669218
  O     16.94713169      6.83854365    -13.72771412
  H     16.42530223      3.67533305    -12.19453652
  H     16.29921426      7.86321856     -5.32815290
  O     16.86171687      3.72506566     -8.62311022
  H     16.84681376      4.88450901    -11.33654738
  H     13.57128235      8.24756678    -12.77809677
  O     17.68395012      9.47952241    -14.14869222
  H     14.64464372      5.03913656    -11.16675398
  H     15.05470476      8.45234605    -12.41334848
  O     18.17532276      9.37100145     -7.26203379
  H     14.04926200      6.39094454    -11.66488891
  H     17.75637300      6.46272332    -12.19939063
  O     15.28490196      5.23221652     -6.95602345
  H     17.30140546      7.69234541    -14.01947200
  H     17.82901589      7.06487869    -10.76629123
  O     17.33282009      8.45412679     -9.75054636
  H     16.01030169      6.99891215    -13.56337768
  H     12.95521768      7.74339438     -6.12767894
  O     15.08664938      7.16177704     -8.96217038
  H     17.74472780      4.11100520     -8.67233260
  H     12.59019636      8.86707440     -5.12929959
  O     13.41317330      9.34799307     -8.54490934
  H     16.55654676      3.68037206     -9.53708184
  H     11.17820199      4.77738075     -9.60001608
  O     11.29962583      8.28645080    -10.06475402
  H     17.68106814     10.24698935    -14.71454454
  H     12.47043847      5.51925444    -10.00808503
  O     16.05151537      8.71369433     -5.71251453
  H     17.17355079      9.72772118    -13.35988827
  H     13.18600047     10.48736684    -11.45756501
  O     14.41760328      7.78671590    -12.70941283
  H     17.37654498      9.21508315     -6.72551618
  H     13.70292158     10.49320275    -10.00670641
  O     18.00126405      6.26401777    -11.28266436
  H     18.55707385     10.18887881     -6.95532345
  H     17.79295995      6.27573609     -5.56930038
  O     13.19294404      8.64112946     -5.83247005
  H     15.79348605      4.61309363     -7.50032117
  H     17.37744661      5.77184194     -4.16404292
  O     11.70694313      5.54803391     -9.40735634
  H     15.84495014      5.48295842     -6.21123500
  H     13.52046442      5.68779332     -6.74423451
  O     13.84883277     10.88324301    -10.87961385
  H     16.52776225      8.00191410     -9.45012236
  H     12.26825507      5.94902536     -7.60277586
  O     17.03448919      6.14611684     -4.97050369
  H     17.71861254      8.86368557     -8.96799738
  H     11.28577964      9.55203877    -12.97908388
  O     12.66231935      6.13616329     -6.74344129
  H     15.18017178      6.56602730     -8.20732167
  H     11.69038762      8.88494400    -11.64224434
  O     12.03755117      9.25347355    -12.47509588
  H     14.68546786      6.65282517     -9.67743785
  H     18.85626577      7.60421401     -6.98833681
  O     18.99316194      6.67816538     -6.75225908
  H     14.02202260      8.61410658     -8.71489705
  H     19.13288834      6.19490740     -7.57497637
          69
 Energy    -247.93383737940769     
  O     17.40256933      7.48965834    -16.66191536
  H     17.76696507      7.80689139    -15.82455326
  H     16.11967449      4.79180760    -17.33963985
  O     17.05415258      1.86977913    -12.64674008
  H     16.44549760      7.59369993    -16.59456988
  H     18.72155819      1.85343532    -12.19202070
  O     20.69571277      6.44095280    -13.91608424
  H     16.97768733      2.09151465    -13.58242957
  H     19.95485542      1.31964790    -11.41866394
  O     14.37051978      2.59154978    -15.96532870
  H     16.40677449      2.39653113    -12.16270682
  H     12.88972011      6.39000287    -10.76039048
  O     17.99503716      4.84755409    -16.74714804
  H     20.39049543      5.89143251    -13.18115754
  H     13.36257753      7.85433416    -10.73820275
  O     13.33063818      4.84393538     -9.64341224
  H     20.76701895      5.84264506    -14.66848082
  H     19.51843080      3.82919467    -12.02213591
  O     16.26728356      8.00611262    -12.16338945
  H     13.67609522      2.09579509    -16.38971407
  H     18.60388875      4.80508229    -12.81336484
  O     19.93068322      2.15610558    -14.88319750
  H     14.56223896      3.36178287    -16.53266879
  H     14.45350003      3.68266777    -14.44322146
  O     17.11574669      5.72816381    -10.67005882
  H     18.94908394      4.72214939    -16.65422968
  H     14.75796721      4.03077046    -12.93353501
  O     17.30898463      5.20299142    -14.04996407
  H     17.84442642      5.80595350    -16.82482829
  H     19.22977665      7.56840901    -13.97188757
  O     20.67462204      4.46564110    -16.08222628
  H     12.73564671      4.51777801     -8.97329243
  H     17.83821690      6.93743659    -13.99303321
  O     15.15552112      4.78467824    -17.32956473
  H     14.00712418      5.37466868     -9.18412758
  H     13.51672694      7.18050160    -12.90161663
  O     19.68134607      1.96812561    -12.06111255
  H     17.03070844      8.15843539    -12.73662047
  H     14.22205820      6.09886230    -13.75909945
  O     12.83641837      7.22277154    -11.24434198
  H     15.54397877      7.70031950    -12.72892001
  H     14.55644281      3.89828827    -10.71666057
  O     19.27547921      4.75805437    -12.11446687
  H     19.98442035      2.03686643    -13.92698243
  H     15.98828977      4.34310099    -11.07555321
  O     14.64244072      4.39513819    -13.82290777
  H     19.01308291      1.97537480    -15.12197027
  H     16.20664044      2.19164263    -15.73242441
  O     18.29019914      7.79669692    -14.00744719
  H     16.86075214      6.50020764    -11.19269815
  H     17.42038011      3.08597107    -16.02161240
  O     14.08687127      7.05534121    -13.67436175
  H     17.97407420      5.43367268    -11.00175408
  H     15.14214367      7.31633153     -8.90304484
  O     15.31228463      3.67791055    -11.27501892
  H     16.39265011      4.91228960    -13.97531158
  H     16.06758042      6.11944093     -9.16512038
  O     17.14859192      2.29169827    -15.54578383
  H     17.56935076      5.06261611    -14.96864428
  H     14.92686042      9.80583570     -9.80264822
  O     15.31063894      6.40458963     -8.63387506
  H     21.45657669      4.33995039    -16.61397847
  H     15.40947608      8.67358489    -10.73710868
  O     14.83050086      8.87412680     -9.98196277
  H     20.50212704      3.61936040    -15.63158301
  H     13.93615110      8.03239237    -16.73863958
  O     14.56107916      7.42264940    -16.35321173
  H     14.88560138      5.66580757    -17.04178350
  H     14.35525269      7.37703256    -15.40498082
          69
 Energy    -247.93377974025776     
  O      0.55130145     -0.02285508      4.99232999
  H      0.53608035      0.94142642      4.97367826
  H     -1.96712137      3.53322781      1.56448847
  O      1.64549209     -0.18216610     -2.77641782
  H     -0.32053617     -0.29492555      5.30174427
  H     -2.85642401     -1.00619559      5.34835957
  O     -0.53885511      0.53405561     -1.14907112
  H      1.55602765      0.04901882     -3.69772982
  H     -2.29508740     -1.01021413      6.78830105
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  H      0.38495070      2.39106057      1.59733868
  O      3.24925750     -2.10117323      0.82454995
  H      0.06636259      0.75143082     -0.42549095
  H     -0.04452647      2.97863645      2.97116135
  O     -4.51557326      3.06777842      3.45027678
  H     -0.82230883     -0.38350707     -1.01385831
  H     -1.98652841      1.60530138     -1.21027749
  O     -3.52234269     -3.54936388      2.34930222
  H      1.66711380     -1.95296682     -1.97059957
  H     -2.99355678      2.41657442     -2.05524477
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  H      2.13180576     -2.59915989     -0.65213975
  H     -2.19769185      0.86196045      3.33933739
  O      3.47833350      0.36587723     -0.63078252
  H      2.65027555     -1.81158506      1.53285243
  H     -1.34517862      1.32440592      2.16522439
  O     -5.48291535      0.42494075      2.94054666
  H      3.90986369     -2.65315884      1.23584649
  H     -1.06187715     -2.14248050      0.31897266
  O     -4.06254999     -1.53759129      4.27864458
  H     -5.07852498      3.82466604      3.59062114
  H     -0.20760344     -2.47284049     -0.93898449
  O     -2.89886556      3.60952541      1.31360767
  H     -3.97145118      3.26748971      2.66743940
  H      1.25292539     -0.78553537      3.51559678
  O     -2.19137581     -0.59908783      5.93433029
  H     -3.71493919     -3.22419020      1.45130669
  H      0.56914496     -1.64340837      2.43641278
  O     -0.30079765      2.90945641      2.04243910
  H     -3.74367450     -4.47634848      2.35940523
  H     -3.26590564      2.30956680      4.59991191
  O     -2.81085799      2.11801480     -1.16779254
  H     -0.81635028      2.61327252      4.93723843
  H     -2.56625255      1.14888395      5.43531110
  O     -1.90957691      0.59885104      2.45936180
  H      0.34553954      3.48735012      5.47478959
  H      2.11954377      0.95798807      0.38803535
  O     -1.06280661     -2.12452275     -0.64889603
  H      3.01554666      0.19867577     -1.46154859
  H      1.29978667      0.30730021      1.53598201
  O      1.39371647     -1.17926303      2.64252733
  H      3.55953443     -0.49175011     -0.19245806
  H     -1.88392196     -2.64303729      2.32466723
  O     -2.43633554      1.98859789      4.97481306
  H     -5.17370641      0.31715168      2.03097140
  H     -1.44383634     -1.14887698      2.31221575
  O      1.29615605      1.02697045      0.89142484
  H     -5.28573874      1.34303423      3.15985378
  H     -2.92341787     -2.47337091     -0.51234766
  O     -1.14474575     -2.05378545      2.13486189
  H     -4.64154988     -0.88477671      3.85871241
  H     -3.99713931     -1.54063393      0.06553116
  O     -3.80654043     -2.47120973     -0.11969636
  H     -3.97342348     -2.27065348      3.65981402
  H     -3.76563439      0.86709933     -0.11075559
  O     -3.97894580      0.23208624      0.58172455
  H     -2.95850404      3.20373971      0.44171815
  H     -3.29142379      0.34446164      1.25496424
          69
 Energy    -247.93364562449545     
  O      1.91966447     -1.77593818      4.23596483
  H      1.15630361     -1.95645292      3.67015352
  H     -2.76037331     -0.93450790      4.74246995
  O      2.40017272      1.00829985      4.24984996
  H      2.13785417     -0.84123825      4.12851894
  H     -0.19993205      1.06659356      2.05028252
  O     -2.68945296     -3.16493677      7.78407797
  H      1.83577137      1.69208777      4.63493381
  H      1.18924026      0.74085484      2.65565438
  O     -0.07834434     -0.26374366      9.70320683
  H      3.08845618      0.86407355      4.91218617
  H     -2.08333334      2.72527614      1.43660034
  O      1.01406747     -5.43390266      6.10478365
  H     -1.75987948     -3.39979659      7.92080300
  H     -2.44416319      1.28927884      1.87743453
  O     -0.44411525     -2.06194926      2.79339713
  H     -2.79633398     -2.29211817      8.17771485
  H     -1.77516636      2.31172745      3.90178151
  O     -0.71332091     -4.50862594      4.24142987
  H      0.41032241      0.34029490      9.12862955
  H     -1.89991981      1.62065817      5.29050080
  O      3.23772573     -3.66162313      5.81718458
  H      0.51426431     -1.01130342      9.84773081
  H     -3.34261107     -0.80463954      0.95375365
  O      3.89124562      0.65281497      6.68428264
  H      0.42141978     -5.13121601      5.39282258
  H     -3.36414283     -0.65818470      2.48255234
  O      3.63211334     -1.95562393      7.92637493
  H      1.06374263     -6.38334485      6.03557359
  H      1.00710428      3.89488767      5.66151223
  O      1.78545063     -2.44608123      9.81331702
  H     -0.13001187     -1.23419826      2.39745946
  H     -0.06036111      2.81705694      5.35487515
  O     -2.96473674     -1.51568361      3.99604177
  H     -1.29023934     -1.85291706      3.20972076
  H      0.17591360     -2.04310207      6.95123953
  O      0.51274678      0.41587684      2.05197648
  H     -1.60954720     -4.38581887      4.57829122
  H      0.86069644     -1.47440070      5.67522178
  O     -1.84930491      2.03803912      2.05539715
  H     -0.55143346     -3.77980922      3.63050676
  H     -4.03715734     -4.58722355      5.33780742
  O     -1.62972329      2.43692410      4.84728796
  H      2.87986094     -3.03835058      5.16890200
  H     -3.13084674     -3.67834440      6.20254227
  O     -3.41467336     -0.15733642      1.65200486
  H      2.57296614     -4.35429950      5.90149993
  H      0.97127853      0.20331273      7.21075219
  O      0.86188252      2.95327053      5.63932310
  H      4.52750789      1.23668755      7.09122132
  H      1.07569549      1.74788094      7.04129144
  O      0.28050318     -1.24908292      6.41277848
  H      3.03806257      0.82091641      7.12004636
  H     -1.75187751     -0.42654284      9.18893477
  O     -3.31915528     -3.96216666      5.28917675
  H      3.84292930     -1.12292005      7.49449047
  H     -3.23123676     -0.12559438      9.51508362
  O      1.31901994      1.01329242      7.61906309
  H      3.56476712     -2.61395960      7.21699569
  H      0.43729384     -4.27478369      7.41822393
  O     -2.66125132     -0.49972908      8.84858211
  H      2.47893282     -2.23770635      9.15963973
  H      0.65720377     -3.32929376      8.65387242
  O      0.03560816     -3.58295681      7.95980894
  H      2.23021164     -2.78344497     10.58587556
  H     -1.26869617     -0.43012995      6.14686080
  O     -2.13077603      0.01464511      6.13028786
  H     -3.19738491     -2.37342459      4.37244496
  H     -2.46948807     -0.04923574      7.03068835
          69
 Energy    -247.93362212191266     
  O     15.70654336     11.81558680    -16.81483649
  H     15.34687619     11.67874013    -15.92109039
  H     18.17139530      7.66126982    -17.78216652
  O     15.63229690      6.14752625    -12.86503158
  H     15.43554342     12.68970666    -17.08358758
  H     15.45363289      7.78241018    -15.55762887
  O     19.48419372      8.26196215    -12.65979001
  H     15.13091410      6.88946328    -12.50192683
  H     16.08875175      7.07071414    -14.33014726
  O     13.48516640      5.33204067    -16.74205248
  H     16.45478653      6.08323177    -12.36025212
  H     15.18181156     11.26479077    -13.54957247
  O     14.39443467      8.50133173    -11.99212399
  H     20.04099463      7.75760009    -13.26328114
  H     13.93286533     10.74473753    -14.28328349
  O     17.90060776      9.70078726    -14.36751160
  H     18.95818007      8.84075937    -13.23355272
  H     17.47084816      7.00090071     -8.12431401
  O     17.91508782      3.77389467    -15.64598066
  H     14.06939149      4.90328691    -16.09336909
  H     16.33073513      7.40972447     -9.08662629
  O     14.63328507      7.80199478     -9.33463707
  H     12.92161801      4.64436738    -17.08499162
  H     11.80665719      9.32227254    -14.25262109
  O     18.34866808      6.43816459    -16.43901373
  H     13.73517901      8.70665244    -12.66581071
  H     13.08232051      8.78093034    -14.93906897
  O     15.17774691      4.24956129    -14.89198754
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  H     19.84148676      6.67766998    -15.38408603
  O     19.28237742      4.49471605    -13.42277875
  H     18.18067319     10.16475592    -15.16687451
  H     21.37538637      6.81117049    -15.26386153
  O     17.99953848      8.39662462    -18.39070482
  H     17.28765360      9.00395019    -14.64540195
  H     18.52944498      6.91716772    -11.89473327
  O     16.28792292      7.61697421    -15.10247658
  H     18.37914427      3.94635270    -14.80663192
  H     17.83238344      6.40648347    -10.60758962
  O     14.64329549     11.39448694    -14.34021344
  H     18.16680542      2.89676795    -15.92280708
  H     18.83509877      9.21732736    -11.06691995
  O     17.28578190      7.23418358     -9.03030181
  H     13.85984731      8.06033536     -8.83996118
  H     17.95016031      8.85918459     -9.86111990
  O     12.75127582      9.24406421    -14.14883205
  H     14.46032359      8.05825696    -10.25459056
  H     15.38666610     10.22418155    -17.76301965
  O     20.58043102      6.67350786    -14.75447523
  H     17.60973440      6.85960206    -15.97061848
  H     16.15748896      8.99598573    -18.29191520
  O     18.05100570      6.16461730    -11.51562157
  H     18.21146041      5.48680229    -16.34776096
  H     16.87923814     10.29470624    -13.03364839
  O     18.22274803      9.59418740    -10.42247351
  H     16.07930461      4.04116874    -15.16189238
  H     16.91231851     10.31015716    -11.49557451
  O     15.27063119      9.34638296    -18.15067194
  H     15.25488440      4.80526428    -14.10473278
  H     18.31879146     10.04827682    -17.42714620
  O     16.32999527     10.46287131    -12.25260781
  H     18.85396825      4.91753504    -12.66688976
  H     17.50422877     11.24009473    -16.87959127
  O     18.36641398     10.80474590    -16.83027479
  H     19.88253264      5.15649326    -13.78853433
  H     13.63285981      7.07413566    -16.53591403
  O     13.79855414      8.00079910    -16.30699961
  H     18.36672173      8.14290122    -19.23454782
  H     14.21103059      8.44953322    -17.06030453
          69
 Energy    -247.93348087726372     
  O     11.55042067     10.67303062    -15.37540637
  H     11.95141690      9.98342170    -15.92056007
  H     14.61124026      5.76616875    -15.92228647
  O     15.65361438      6.71570977    -13.13026367
  H     11.16838141     10.22314411    -14.61206551
  H     16.34062150     11.82319902    -16.11261100
  O     16.45025668     10.81170388    -11.26781085
  H     16.38272497      7.23776286    -12.76756149
  H     14.81959822     12.11446154    -16.18085396
  O     17.94037489     11.98700110    -15.12419076
  H     14.94545519      6.71426512    -12.47270032
  H     15.08057671      8.14314605    -14.08911289
  O     12.68928621      6.05340062    -16.02226318
  H     15.96038301     10.53463515    -10.48126183
  H     15.67136784      8.85841423    -15.31448743
  O     14.72658404      9.82963005     -9.35804593
  H     15.78573606     11.00277019    -11.94793161
  H     10.91108666      8.30300597    -13.28763170
  O     13.57012690      7.01459889    -11.33649925
  H     18.66118031     12.43233866    -15.56507915
  H      9.64604369      9.10628622    -12.90354626
  O     14.49674020     11.12153322    -13.15568194
  H     17.98371708     12.25662808    -14.19124500
  H     18.38949126      6.17749287    -10.03153733
  O     16.78653394      8.14312532    -16.66385790
  H     12.75347687      6.96926152    -16.34154818
  H     17.77587139      7.39819830    -10.73267826
  O     15.13632744      6.99297471     -8.99593990
  H     12.14239722      5.58244004    -16.64680587
  H     12.32317725      6.63350739    -12.72705901
  O     18.45154046      9.18065364    -14.68208054
  H     14.86682999      8.90230787     -9.13349061
  H     12.06491957      6.41672032    -14.24762215
  O     15.56507545      5.81988898    -15.79454634
  H     13.93907635      9.84991931     -9.91768171
  H     18.59836297     13.15934913    -11.84155353
  O     15.55617283     11.72382281    -16.66606165
  H     13.32217472      7.95039091    -11.37389975
  H     17.59090517     12.00442910    -11.94504864
  O     14.96562635      8.91595615    -14.65731193
  H     14.01901157      6.88654934    -10.49175274
  H     18.02394403      8.65031559    -13.03586671
  O     10.56477223      9.20228471    -13.14061649
  H     14.69508667     10.36055711    -13.72527692
  H     17.24844798      9.25880140    -11.83359293
  O     17.68436160      6.81598767     -9.96080045
  H     14.12502631     11.80228266    -13.72624466
  H     15.26999980     10.45832868    -17.80185640
  O     11.67685111      6.75785359    -13.43386689
  H     16.29578088      8.54440728    -17.38911717
  H     15.19773833      9.98391459    -19.27415400
  O     18.12384174     12.62273198    -12.47089470
  H     16.40066759      7.27081832    -16.48359200
  H     13.35287233     10.24810753    -12.03729085
  O     17.63685606      8.44123920    -12.17269715
  H     15.08567129      6.55898638     -8.14820828
  H     11.94831261      9.61980016    -11.92530021
  O     15.08953044      9.68899605    -18.37448009
  H     16.05446572      6.90035781     -9.30403590
  H     12.89486726     13.53840263    -15.20631715
  O     12.79169675      9.70545273    -11.46516119
  H     18.03085436      8.74262734    -15.43461070
  H     12.64349545     12.01095090    -15.25507345
  O     13.33284759     12.69337550    -15.15767741
  H     18.33020291     10.12514773    -14.83199596
  H     13.66485492      8.77844243    -15.87402503
  O     13.09522535      8.69765234    -16.65685518
  H     15.68439948      5.95863023    -14.84395914
  H     13.63786946      8.99336673    -17.39813813
          69
 Energy    -247.93320382917321     
  O     12.00620856      9.00256284    -15.88820901
  H     12.35105469      9.86436360    -16.14802511
  H     18.64171696     10.07529109    -13.46732360
  O     16.44490876      7.36286984    -11.95129373
  H     12.73490011      8.37689276    -16.01138293
  H     15.89352254      9.79884707    -17.65508666
  O     16.39016444     12.28683691    -12.54952458
  H     17.05721809      7.86850289    -11.40172334
  H     16.52644103     11.14744400    -17.23456072
  O     18.24020531     11.73892743    -16.68713547
  H     15.58741755      7.38808085    -11.50566817
  H     15.98688478      8.37928489    -13.40117349
  O     14.16755926      4.90634562    -14.54897587
  H     16.25920168     12.02396474    -11.62633160
  H     16.61093343      9.12313584    -14.60714585
  O     13.47888921     10.20926924     -9.32591708
  H     15.60556234     11.99300874    -13.03058125
  H     11.27872344      8.60474244    -14.39656959
  O     13.93148343      7.74315318    -10.82338032
  H     18.81960815     12.15788754    -17.31845857
  H      9.98069306      8.31250356    -13.60522444
  O     14.23392225     11.12944138    -13.87425413
  H     18.27732071     12.27378532    -15.87560793
  H     11.96316800      6.82906394    -13.03379235
  O     18.30086307      6.80983938    -16.16834213
  H     13.79698348      4.05389820    -14.76131797
  H     13.01488059      6.51268143    -11.95387699
  O     18.36030719      9.39172565    -15.12837500
  H     13.58916403      5.30205384    -13.87272445
  H     19.05187574     12.45958094    -13.77897584
  O     16.90009983      5.64596733    -14.14451364
  H     13.08628146     10.23366854    -10.21478490
  H     17.63674669     13.00586514    -13.73582193
  O     18.63951170     10.53962370    -12.61856576
  H     12.86184344     10.65103040     -8.74767689
  H     18.83008238      8.93895914     -9.85703489
  O     15.69049674     10.72477148    -17.45757192
  H     13.90848615      8.14915800     -9.95332899
  H     18.38443672      9.58631816    -11.19059739
  O     15.77057291      8.89251839    -14.19031642
  H     13.56047671      8.43050288    -11.39911210
  H     15.23312874     10.81884771     -9.73689105
  O     10.92885690      8.35993416    -13.51961764
  H     14.77079906     10.33192878    -14.00998663
  H     16.68824760     10.38598074    -10.04114986
  O     12.58000140      6.14942311    -12.73479574
  H     13.86488248     11.36442493    -14.73372000
  H     15.44792070      7.70517368    -17.29707899
  O     18.44246067     13.01406787    -14.27441877
  H     18.95441538      6.18441470    -16.46938531
  H     16.97228813      7.58140305    -17.36404662
  O     18.07828076      9.05703317    -10.43144572
  H     17.80346425      6.37021811    -15.45546095
  H     11.95953264      9.46625506    -12.45857854
  O     16.08229918     11.13526498    -10.06701993
  H     18.46482668      8.53263696    -15.55752702
  H     13.16848703     10.43436882    -12.61459135
  O     16.22390524      8.02205849    -17.78084645
  H     18.37368263     10.08426123    -15.80064628
  H     14.15630129     11.20106095    -16.88257010
  O     12.64988824      9.93203146    -11.96996424
  H     16.84578723      6.14753046    -13.32026984
  H     12.97463790     12.19054226    -17.02027195
  O     13.30343313     11.46916183    -16.49159850
  H     16.01333352      5.29627874    -14.29363008
  H     14.76632063      7.87610771    -15.32814526
  O     14.22981266      7.35297759    -15.94317161
  H     17.85638456     11.10965299    -12.62311084
  H     14.17796866      6.46296555    -15.57655197
          69
 Energy    -247.93316839218878     
  O     -1.70318442      4.00809152     -2.70891118
  H     -0.83780222      3.94805901     -3.13540039
  H     -0.45205050      5.74752409     -0.85619180
  O      3.06030389      2.39048318      4.38221943
  H     -1.70716690      4.83960451     -2.21778337
  H     -1.14318751      0.66557942      3.30201622
  O     -1.24929370      2.38211200     -0.39088589
  H      2.29552160      2.82916304      3.98580722
  H      0.00879458      0.02947214      2.44244952
  O      0.69860687      1.10855118     -3.41482970
  H      2.72443551      1.56270442      4.74979464
  H     -3.03298704      1.20135981     -3.16657614
  O      0.69705475     -0.71429082      0.93145384
  H     -1.46258612      2.94601156     -1.14312133
  H     -2.94992024      2.74053116     -3.08141620
  O      0.79367922      3.07141340      2.81991257
  H     -1.43040623      2.86620758      0.42418700
  H     -1.65163837      0.64733082     -0.37434835
  O      0.92707441      3.78588862     -3.62559185
  H     -0.13334141      0.62228013     -3.42062531
  H     -0.99316905     -0.68176547      0.07711994
  O     -3.55691829      4.95674713      0.51571947
  H      1.03096976      1.06757866     -2.50555544
  H     -2.24230225      2.91870604      2.56735414
  O      4.51723432      1.73340780      2.17317469
  H      0.94399197     -0.02139621      0.30021830
  H     -2.47572582      4.18019580      1.67505722
  O      1.87437219     -0.13364996      4.96801147
  H      1.51626003     -0.92657029      1.40212239
  H     -3.51804023      1.25893995      4.00885966
  O      1.13608882      4.99685581     -1.00162794
  H     -0.04204638      3.50755431      2.60706837
  H     -3.35689097      1.02189126      2.48728059
  O     -1.35194880      6.11329087     -0.93329853
  H      0.55373956      2.14661353      2.96899188
  H     -1.81280641     -0.41705948     -2.17363228
  O     -0.19984496      0.46520950      3.28151902
  H      0.89298848      2.81225311     -3.62308641
  H     -2.00454789     -1.13532892     -3.52776798
  O     -3.56547102      1.99388529     -3.03671702
  H      1.39529678      4.04245532     -4.41526494
  H     -3.38644557      0.11546057      0.47265525
  O     -1.75992561     -0.31894352     -0.38400549
  H     -3.97934431      4.26093280     -0.00396001
  H     -4.35223488      1.32449624      0.39651002
  O     -1.79596743      3.62822748      2.08905861
  H     -2.89786913      5.38681659     -0.04367769
  H     -5.78946483      2.83415819     -0.96733009
  O     -2.88820750      1.30169958      3.29438722
  H      5.45828694      1.79869950      2.31418697
  H     -4.43895660      2.43201153     -1.59829379
  O     -1.81403060     -0.28595268     -3.13642498
  H      4.09006323      2.00067902      3.00699004
  H      3.41246256      2.85698298      1.11304120
  O     -4.04882180      0.61072488      0.97183417
  H      1.62405299     -0.67894875      5.70908579
  H      1.97516485      3.29033751      1.46573892
  O     -4.86213427      2.72170085     -0.77110515
  H      1.06369333      0.03790265      4.45820754
  H      0.42029383      1.80990265     -0.63455770
  O      2.63819460      3.30983830      0.75795936
  H      1.73089701      4.51767329     -0.41264207
  H      1.90890277      2.00425238     -0.29096848
  O      1.29540137      1.40285137     -0.73013329
  H      1.20720633      4.57481180     -1.86675437
  H      2.77800208     -0.67916106      3.32522035
  O      3.03661612     -0.77331300      2.40051343
  H     -1.25617918      7.06177754     -0.96298405
  H      3.58549604     -0.00390890      2.20746573
          69
 Energy    -247.93312085318169     
  O     -5.83351186      0.54532054      0.32131749
  H     -5.43422808      1.40413079      0.12799489
  H      0.07164275     -1.08830268      3.36342517
  O     -5.97001259      1.30179081     -4.18896689
  H     -5.78682322      0.41442563      1.27663615
  H     -0.53624205      1.33505849      3.34538990
  O     -5.26845355      0.15178081      3.07731766
  H     -6.38680364      0.82620790     -3.44751620
  H     -1.73223542      2.23131823      3.63594721
  O      0.59996120     -0.56046423      0.31678920
  H     -6.67421403      1.57088186     -4.77295279
  H     -0.64962282      4.17614055      1.05170723
  O     -1.76852154     -0.84483759     -1.07624757
  H     -4.65475963      0.90833904      3.08715982
  H     -0.81469065      3.75416406      2.52696164
  O     -4.37817501     -1.10549916     -4.56254248
  H     -5.74413599      0.16710711      3.90355182
  H     -4.33349195      3.64168226      0.25310176
  O     -4.23616833     -1.73118759     -0.15304865
  H      1.07792403      0.09466589     -0.20302415
  H     -3.61366109      2.33868844     -0.13067980
  O     -2.24370897      0.27663672     -3.54659937
  H     -0.16202616     -0.81560968     -0.22396885
  H     -0.61284647      3.57920525     -1.35755666
  O     -3.78811095      2.61027721     -3.01503098
  H     -2.60080135     -1.26152250     -0.82012985
  H      0.51918540      2.71932220     -0.72988517
  O      1.72359153      1.46191111     -1.38241350
  H     -1.88135425     -0.50953158     -1.97604401
  H     -5.74560673     -3.54852668     -2.36128159
  O      0.20182130      1.61908462     -3.62578815
  H     -4.74641785     -1.69815586     -3.89521805
  H     -5.01572712     -2.42493488     -1.59244904
  O     -0.46561383     -0.51911583      2.81670798
  H     -4.95836732     -0.33461263     -4.58099808
  H     -2.24682085     -1.22320502      2.51917945
  O     -0.76715746      2.23446576      3.60873398
  H     -4.77215831     -0.93117928     -0.06344424
  H     -3.77843561     -1.07788230      2.73076521
  O     -1.04941838      4.44370602      1.88924156
  H     -3.81821428     -1.87000346      0.71061728
  H     -2.02338584      0.65084213     -0.04075388
  O     -4.39494395      2.88046836     -0.33506982
  H     -2.87095030     -0.30581057     -3.99831018
  H     -1.46472641      2.08533540      0.17897186
  O     -0.24001936      3.27822007     -0.51943461
  H     -2.73633385      1.07638713     -3.32195284
  H     -2.75581647      4.70922329      1.76158588
  O     -5.51595876     -2.62361823     -2.40205927
  H     -4.54457096      2.24979324     -3.49576247
  H     -3.99639402      5.58477180      2.05795826
  O     -3.10014176     -1.62781148      2.32137568
  H     -4.07811732      2.75657858     -2.10293783
  H     -6.62567274     -1.06589820     -2.25749467
  O     -2.18919126      1.48829321      0.40805063
  H      2.64908585      1.54312999     -1.59744272
  H     -6.72776796      0.10060479     -1.25257583
  O     -3.73045972      4.73503556      1.71842495
  H      1.24028875      1.43448823     -2.22776349
  H     -2.94230022      1.81091574      2.06429582
  O     -6.96687095     -0.16934714     -2.14920704
  H     -0.20871554      2.49063924     -3.58092001
  H     -3.69560229      3.05167609      2.58669402
  O     -3.47653596      2.13803070      2.80631750
  H     -0.53943703      1.00482815     -3.71892512
  H     -2.25695936      3.54431036     -3.09325038
  O     -1.38007030      3.95863922     -3.03853313
  H     -0.04748130     -0.51391448      1.93762815
  H     -1.44939777      4.80331552     -3.47683304
          69
 Energy    -247.93293787785854     
  O     16.08347899      9.09106000    -16.74596793
  H     15.21619035      8.81588082    -16.42757545
  H     18.62672594      6.87412304    -17.60029321
  O     13.63822512      3.27888101    -15.69993173
  H     16.57955283      9.38676418    -15.97241997
  H     15.79752570      5.56296183    -16.04303847
  O     17.91841108      5.95798340    -11.64461287
  H     13.74898848      4.05870841    -16.25981989
  H     16.56292448      6.18372232    -14.82787518
  O     13.65040631      6.92535156    -10.54690157
  H     14.30838029      2.64107806    -15.98166991
  H     13.52673667      7.81310388    -14.87065144
  O     14.01243944      4.29271752    -13.22353420
  H     18.82345567      5.93116496    -11.97703445
  H     12.71869645      8.64454195    -15.89079276
  O     16.43940111      7.36221539    -13.44026672
  H     17.40689919      6.49450654    -12.27088415
  H     14.29641369      3.67504504     -9.96101122
  O     17.49940990      3.07598734    -14.71092256
  H     13.20961213      6.06608799    -10.50688247
  H     15.55632342      4.41588247     -9.48750216
  O     12.67665300      4.24691320    -10.82639538
  H     14.51812989      6.78822911    -10.14788462
  H     13.90834464      6.55016649    -16.70677563
  O     19.67555641      8.04871021    -14.73810715
  H     14.90024239      4.04093302    -12.94003156
  H     14.63898871      5.81105043    -17.87727439
  O     15.79316266      1.60685400    -16.35097825
  H     13.83431525      3.87112861    -14.07800624
  H     21.30197203      5.80273447    -12.59243071
  O     19.98629733      4.36694409    -15.07814103
  H     15.47968777      7.36898709    -13.32973252
  H     20.29912351      5.32521196    -13.66738920
  O     18.91791290      6.34946954    -16.84689576
  H     16.73432597      8.23847870    -13.71618237
  H     16.11935162      3.35643640    -11.30810280
  O     16.62832135      5.54717499    -15.55121827
  H     17.16534647      3.92187473    -15.05061036
  H     17.07849014      4.34291637    -12.00920825
  O     13.53485608      8.16286397    -15.77749226
  H     17.21755675      3.03955296    -13.78692522
  H     16.68926844      6.60938169     -8.71270033
  O     15.22384624      3.54168730     -9.72778348
  H     13.06506817      4.20392846    -11.71754163
  H     16.89981436      6.16075506    -10.17445707
  O     14.25039264      5.69733332    -16.99753216
  H     11.83239277      3.80632855    -10.87462704
  H     16.06445580      5.27263872    -19.81107907
  O     20.41655930      5.93890373    -12.91927178
  H     19.50022015      7.50536506    -15.51919529
  H     16.32684872      6.66649146    -19.21906137
  O     16.52905378      3.56239667    -12.16029179
  H     19.98288369      7.44051625    -14.05676739
  H     13.77800027      6.07741802    -13.38102583
  O     16.24041599      6.23067644     -9.46490942
  H     16.00790334      0.67735920    -16.36581406
  H     13.60465484      7.19057170    -12.32711267
  O     15.63974818      5.99841780    -19.35780629
  H     16.46617490      2.02535715    -15.79162588
  H     18.39531636      9.17145124    -14.53601911
  O     13.71008047      7.03905910    -13.27788144
  H     19.22817039      3.77677708    -14.96980785
  H     17.84548531     10.53831235    -14.04967768
  O     17.58413880      9.70260989    -14.42541440
  H     19.78055813      4.94050674    -15.82707914
  H     17.00853891      8.39886745    -18.03440808
  O     17.54023690      7.97700219    -18.73457219
  H     18.10157108      6.04385495    -16.41943187
  H     17.84705416      8.67702116    -19.30474776
          69
 Energy    -247.93290710558057     
  O     15.69668262     10.65698632    -16.37946891
  H     16.13076129     10.01173513    -15.80089572
  H     20.27361699      9.66277603    -17.74970566
  O     16.30662021      5.05909060    -13.99130699
  H     14.87122855     10.89661961    -15.94304387
  H     17.91220074      8.55296823    -14.66801118
  O     17.97642134     13.35931952    -11.13382769
  H     16.86696109      4.98944279    -14.77202912
  H     16.94594820      8.05279202    -15.74736930
  O     19.77298763      8.43316833    -14.48034500
  H     16.90241303      5.19631280    -13.24454567
  H     13.20064118      9.95572807    -15.08290802
  O     17.45525388     10.17772205     -9.25329542
  H     17.94294558     13.04901864    -12.04924788
  H     12.47831278     11.31994659    -15.19932342
  O     15.43933422      8.30815483    -12.70845499
  H     17.13049016     13.09602972    -10.75002512
  H     17.52124542      8.73936612    -10.30651485
  O     17.72810232     11.84774363    -13.50700135
  H     19.83750955      9.07960678    -13.76455149
  H     16.78886151      8.16884631    -11.56207054
  O     19.85179643      5.70259305    -14.09596864
  H     19.89538554      8.86943598    -15.33302920
  H     13.73871487      8.15906024    -16.32385513
  O     13.87455983      6.20110601    -13.66285552
  H     18.28751535     10.65671029     -9.35084930
  H     13.38818719      7.53734150    -14.94655578
  O     18.25610832      4.94032296    -16.12801753
  H     16.76445435     10.80239910     -9.50723673
  H     19.21210348     12.36751908    -10.38786502
  O     18.14850147      5.54301050    -11.81814194
  H     14.78116653      7.62139350    -12.86126523
  H     20.50782780     12.11152627     -9.57930026
  O     19.62234863      9.42220739    -17.09614361
  H     15.96717883      8.35818953    -13.52350860
  H     19.68217488     10.51172610    -11.49939752
  O     16.98133214      8.55529429    -14.92310880
  H     16.81097847     11.58578016    -13.35640601
  H     18.80277183      9.28051386    -11.83727729
  O     13.28634774     10.91106220    -14.90226714
  H     18.28243227     11.17238983    -13.09118825
  H     14.75499055     12.41123721     -9.86891315
  O     17.60645067      8.11787209    -11.04467909
  H     19.38795889      5.59016262    -13.25759547
  H     15.32229265     11.74767709    -11.14380102
  O     13.21032656      8.28840786    -15.52201569
  H     19.93436641      6.65945569    -14.22402182
  H     17.86987967      6.50167174    -17.03710447
  O     19.79538949     11.67165620    -10.03436578
  H     14.71931324      5.74737523    -13.83598159
  H     18.31435600      7.96374750    -17.37927337
  O     19.37178246      9.95961565    -12.22748745
  H     13.25742535      5.53205680    -13.37977634
  H     14.40641722     11.14133996    -13.44496459
  O     15.56121479     12.09281615    -10.26720837
  H     18.90036740      5.16790207    -15.43302674
  H     15.16884713     10.07002881    -12.64356612
  O     17.56626131      7.35410597    -17.37760861
  H     18.53137910      4.10591885    -16.49852374
  H     18.22943216     11.83046246    -15.33601700
  O     15.07310881     11.02754170    -12.75629789
  H     18.24367103      4.98289633    -11.05142924
  H     17.36028309     11.45258833    -16.52914101
  O     18.27896587     11.62508177    -16.27855856
  H     18.01390648      6.44547633    -11.48477018
  H     15.14621143      9.18918660    -17.49505150
  O     14.92111953      8.27634323    -17.71976556
  H     19.16002185     10.24383178    -16.84863862
  H     15.77134186      7.82632858    -17.79959259
          69
 Energy    -247.93281116300642     
  O     11.76745446     11.39036718    -14.82666295
  H     12.17980520     10.66277745    -15.31151306
  H     18.67170301      7.74840481    -14.75401279
  O     15.37610480      6.66134947    -12.84400187
  H     11.30462591     10.98765515    -14.08292870
  H     15.72848280     11.30848642    -16.91629704
  O     17.29904752     10.68571652    -11.65931535
  H     16.19517271      6.98146845    -12.43985621
  H     14.59014702     12.19421755    -16.35727349
  O     17.47469619     10.64723935    -16.66140652
  H     14.66306721      6.81927785    -12.21011576
  H     15.19482490      8.27268213    -13.68696528
  O     12.47323679      6.89007353    -15.88794537
  H     17.25575002     10.76686676    -10.69852727
  H     16.11549089      8.90981411    -14.72658453
  O     14.27527282     10.05924674     -8.68988907
  H     16.46972354     11.04384222    -12.00774539
  H     10.85706945      9.08867263    -12.90227067
  O     13.35429702      7.44849258    -11.14972429
  H     18.11264097     11.01558136    -17.26855545
  H      9.72534170      9.98057829    -12.33597811
  O     14.92433715     11.41446572    -12.86075372
  H     17.87030514     10.71552026    -15.77457392
  H     17.14060572      8.72561597     -8.92055672
  O     17.35450853      7.89813659    -15.88603877
  H     12.70962622      7.81142241    -16.09416602
  H     17.35077749      7.66719467    -10.01494858
  O     14.45294937      7.18324324     -8.58622679
  H     11.88242643      6.59780245    -16.57802182
  H     12.08474134      7.27332825    -12.56145556
  O     15.25199855      6.14974112    -15.61804911
  H     14.21816118      9.10972299     -8.52865928
  H     11.82382898      7.19182708    -14.09543348
  O     19.36108077      7.81101928    -14.06818611
  H     13.76674349     10.22210932     -9.49618793
  H     19.04577582      9.72380574    -14.10536659
  O     14.80893466     11.56776811    -17.05805874
  H     13.28345442      8.41360104    -11.18305495
  H     18.24103269     10.76066271    -13.30449813
  O     15.32721272      9.08073542    -14.20017640
  H     13.64054217      7.23187566    -10.25358977
  H     18.33940014      7.76660835    -12.50941119
  O     10.62831001      9.99964558    -12.64113532
  H     15.06399537     10.60693607    -13.38205383
  H     17.48859570      8.85153707    -11.80601540
  O     17.04893335      7.78245335     -9.10403108
  H     14.63032549     12.09807394    -13.47392460
  H     17.18297283     11.22140589     -8.15886607
  O     11.45938502      7.50542669    -13.26016001
  H     17.26401450      8.66528016    -16.46092647
  H     15.95577079     10.51453484     -8.78280900
  O     18.61845502     10.58620790    -14.17577957
  H     16.59823381      7.29850114    -15.98294733
  H     13.65956894     10.71554291    -11.76015089
  O     17.66022252      7.89887016    -11.83710924
  H     14.38680941      6.56790458     -7.86129859
  H     12.17237705     10.27444189    -11.61990010
  O     16.91742916     10.64521645     -8.87042930
  H     15.40304680      7.31607893     -8.75694501
  H     13.56803878     14.02689755    -14.84895153
  O     13.03789470     10.23589677    -11.19535732
  H     15.32068473      6.12786056    -14.65250220
  H     13.03162523     12.57456663    -14.80875811
  O     13.84375079     13.11517989    -14.81067822
  H     14.31610896      6.28909610    -15.80022914
  H     13.98617066      9.27189556    -15.41525361
  O     13.35738261      9.44752036    -16.13062084
  H     20.09293981      7.27523386    -14.36127769
  H     13.77081901     10.14525758    -16.65925304
          69
 Energy    -247.93267412830684     
  O     13.02425221      4.04728217    -13.05721614
  H     13.95243474      3.97147685    -13.31092126
  H     15.97435387      8.74804193    -10.01450593
  O     16.79236382     10.22667028    -15.01942375
  H     13.02853581      4.23847420    -12.11160148
  H     14.98871568      7.99351715    -11.75928723
  O     18.37981500      8.80507789    -12.17936694
  H     17.09027392      9.30943808    -15.03917073
  H     13.46136152      7.74347844    -11.89509449
  O     15.20163483     10.34516072     -9.40759586
  H     15.85861416     10.21813182    -14.76655759
  H     10.50931148      4.66381191    -14.82695965
  O     11.77115793      9.56035437    -15.14813682
  H     18.12959218      8.34103283    -12.99243132
  H     11.82323951      4.85008390    -14.03803207
  O     12.63462617      7.18121355    -16.10952533
  H     18.36457913      9.74917287    -12.37535072
  H     20.91644456      7.53117613    -10.55132236
  O     15.99064941      5.24061941    -10.81251143
  H     15.29640441     10.83355984    -10.24654119
  H     19.56751515      7.79143233    -11.24213586
  O     12.48018106      9.59493900     -9.39911492
  H     15.60212983     10.87935068     -8.72663529
  H     15.18881723      5.79459356    -14.37431140
  O     18.53333291      4.84043359    -14.18251416
  H     11.20547443      9.99368538    -15.78178343
  H     14.63316488      7.14640435    -13.88335376
  O     15.50318092     11.59039605    -11.77170103
  H     12.09071559      8.74339889    -15.57353955
  H     18.64769797     12.17461680    -13.30858209
  O     14.18621215     10.29150426    -13.88885747
  H     12.08323129      6.49433729    -15.71384491
  H     17.64402954     11.10443281    -13.80477093
  O     16.30116468      7.99782263    -10.52555771
  H     13.52465679      7.01546712    -15.76828003
  H     18.05428427      6.65515977    -14.49496223
  O     14.25066629      8.00774249    -12.38167030
  H     15.08493641      5.04641526    -10.54150240
  H     16.65860372      7.28016952    -14.62908142
  O     11.14655437      5.31968654    -14.55670910
  H     16.13272792      6.18029337    -10.63001997
  H     17.86329480      4.84812918    -11.09760189
  O     20.07273906      7.13032640    -10.74396149
  H     13.41310411      9.85136968     -9.36842394
  H     19.24517863      5.55538228    -11.14336799
  O     14.96547300      6.68719889    -14.66971974
  H     11.98832302     10.40987849     -9.47844694
  H     11.02501747      8.43639185    -13.72298567
  O     18.06617117     11.48140868    -13.00945762
  H     18.68479728      4.80324618    -13.21958243
  H     10.79208253      6.91615740    -13.61453794
  O     17.59396275      7.50320156    -14.51076105
  H     19.19369256      4.28493568    -14.58716421
  H     16.70792633      4.32950768    -13.83010206
  O     18.74015653      4.80950507    -11.49754315
  H     16.39935827     11.66523533    -12.12102929
  H     15.88944777      4.64040661    -12.55947664
  O     10.73355819      7.74409210    -13.11910367
  H     14.95814664     11.28232518    -12.50848141
  H     12.79037034      4.42120974     -9.57985579
  O     15.81214291      4.32723726    -13.47350567
  H     13.35663429     10.21832820    -14.37431865
  H     12.77536050      5.70700105    -10.43895461
  O     13.21985324      4.84989316    -10.31587720
  H     14.21647632      9.50772793    -13.31849542
  H     12.12756584      8.05454262    -10.25597716
  O     12.06345818      7.25970970    -10.80373091
  H     17.06071911      8.30538036    -11.04057159
  H     11.47678773      7.44520484    -11.55390980
          69
 Energy    -247.93257754794288     
  O     11.71694713      9.01590476    -15.56714908
  H     12.04527801      8.43833856    -16.26776765
  H     19.28399403      9.81870673    -14.55952301
  O     16.68251591      7.09492365    -12.60823814
  H     12.16055704      9.86146954    -15.69544105
  H     15.68704027      9.72026553    -15.47672098
  O     15.95039284     11.09257009    -11.54321459
  H     15.90979937      6.98017969    -12.03614462
  H     16.35330173     11.11895704    -15.33687595
  O     14.08247046      5.97737635    -15.38379486
  H     17.23110627      7.78756144    -12.21949145
  H     15.75382808      8.04115011    -13.81984425
  O     14.51178368     10.12072553     -9.38640156
  H     15.23065094     10.97072211    -12.17867095
  H     14.67473871      7.65738090    -14.84693549
  O     14.37851626      6.97126891    -11.03026482
  H     15.55574096     10.88748091    -10.68315652
  H     11.13252309      8.38251735    -14.02672538
  O     13.84802182     10.53065213    -13.25000891
  H     13.51652387      5.83660042    -14.60811552
  H      9.87653833      7.91419659    -13.25934573
  O     17.64565410      6.84888371    -17.16101792
  H     13.53927118      6.26704189    -16.12380641
  H     18.21969775      8.49729156     -9.97506790
  O     15.55429728      7.56204139     -8.53281453
  H     14.86610135      9.31377207     -8.99480699
  H     19.02943680      7.57954271     -9.04503836
  O     18.54992732      9.26512141    -16.03501268
  H     13.71016960      9.84983155     -9.85190985
  H     13.26517754      6.05069110    -12.31012256
  O     16.79616103      5.53189400    -14.97219269
  H     14.74141902      7.02551958    -10.13746061
  H     11.98897059      6.50278645    -13.05418413
  O     19.57687839     10.24291961    -13.73304153
  H     13.77931341      7.72621029    -11.11870799
  H     18.09626232     11.49382587    -13.89286436
  O     15.93290586     10.51953138    -15.97427824
  H     13.52952941     11.04474696    -13.99778357
  H     16.82281420     11.82440163    -13.10357610
  O     15.11313857      8.41388115    -14.43997059
  H     14.21857283      9.71573727    -13.62679533
  H     18.66844679      9.58779859    -12.26388713
  O     10.82400488      7.99685840    -13.18794053
  H     18.12185405      6.24035017    -17.71940130
  H     17.33349484      9.93366986    -11.54028462
  O     18.17763745      7.99725216     -9.14411158
  H     17.37880668      6.35054758    -16.36738556
  H     16.13718875      7.84710803    -17.70901156
  O     12.68448210      5.83336227    -13.05012704
  H     16.50386597      7.68795479     -8.70107416
  H     15.58030591      9.26123474    -17.46279338
  O     17.22335092     11.89591013    -13.97914874
  H     15.47440872      7.22029305     -7.64601780
  H     12.98207250      9.72679045    -11.90928103
  O     18.06259606      9.29624521    -11.57164935
  H     18.36430002      8.39665324    -16.41301253
  H     11.84067442      8.72406603    -11.75173252
  O     15.38473522      8.42430630    -17.89714264
  H     17.74217783      9.77563510    -16.15885979
  H     14.21443571     11.19704393    -16.02176318
  O     12.57456367      9.12339839    -11.26955061
  H     16.90338993      5.94506601    -14.10606583
  H     13.14379799     12.26980062    -16.31527747
  O     13.28719953     11.43866035    -15.86906841
  H     15.84178700      5.52191636    -15.13900319
  H     12.54787288      7.07406256    -18.38672898
  O     12.89808654      7.36451033    -17.54878486
  H     20.48262132     10.50897085    -13.86700461
  H     13.77441493      7.74911035    -17.72922958
          69
 Energy    -247.93243896467831     
  O     13.79481888     11.94779873    -14.27821450
  H     13.70979177     11.48294123    -15.12487406
  H     13.84817360      5.44029731    -17.09964374
  O     14.89608756      6.42150717    -14.13969411
  H     14.72486354     12.17077370    -14.18457536
  H     19.67986722      7.61034608    -14.61889788
  O     18.25212828      8.25111469    -11.62093191
  H     14.31347780      6.41293152    -13.36792537
  H     20.10696753      6.39080393    -15.47566636
  O     18.63771726     11.15606536    -15.18642881
  H     15.06867516      7.35697721    -14.33229072
  H     14.80399849      9.44553728    -15.20970691
  O     11.87819463      8.25023401    -16.18383684
  H     17.95170847      7.48485803    -12.13206304
  H     16.25369209      8.89294911    -15.28689064
  O     15.13608262      7.70364761     -8.81337327
  H     18.20882965      8.00098730    -10.68963939
  H     12.76864844     11.21897514    -13.05257549
  O     13.37598531      6.74617831    -11.86126048
  H     19.11321399     11.83173210    -15.66568963
  H     11.48900007     11.37801182    -12.20261616
  O     16.28527448     10.03556805    -12.30758181
  H     17.93729055     11.61064422    -14.69383438
  H     17.18334606      5.22710971    -11.47834146
  O     15.31646987      8.61342214    -18.02277469
  H     11.67067302      8.15978278    -15.24136311
  H     17.37292829      5.69073975    -10.01802944
  O     14.34788659      5.12120585     -9.79560073
  H     12.46120800      7.51820688    -16.41145374
  H     11.67852555      9.06991598    -13.09726981
  O     17.67301596      8.76507684    -16.39615624
  H     14.75271785      6.84145562     -9.01729667
  H     12.00657208      7.57894936    -12.89214623
  O     14.00111876      6.32267155    -16.76927076
  H     14.70009426      8.33698764     -9.39872632
  H     19.47248864      8.88545074    -12.86633299
  O     19.34591177      6.85502884    -15.13693764
  H     13.62391117      7.61639484    -11.51690702
  H     19.57552570      9.84173801    -14.08379446
  O     15.50043577      9.01814124    -14.69392286
  H     13.58674049      6.10748555    -11.16989983
  H     18.09695792      6.17014335    -13.87849998
  O     12.21537691     10.78549932    -12.37969774
  H     15.95677277      9.66239504    -13.14272108
  H     16.57978140      6.09622533    -13.53275437
  O     16.95410632      5.01437213    -10.56451844
  H     17.00798262      9.47011476    -12.00438590
  H     16.86080561      7.51320193     -8.90457869
  O     11.49952004      8.18742690    -13.44272222
  H     16.20424869      8.62423016    -17.64465413
  H     18.22442414      7.35888492     -8.18721173
  O     19.96436319      9.05641897    -13.68225859
  H     14.89921323      7.80530297    -17.69742924
  H     14.85488525      9.59023605    -11.29621027
  O     17.46990297      6.05205414    -13.15527586
  H     14.07952283      4.31210711     -9.36917567
  H     13.33360140      9.83138659    -11.24852647
  O     17.80462125      7.31251689     -9.04159281
  H     15.26704493      4.99425723    -10.09183524
  H     16.53022394     11.60414172    -13.03156249
  O     14.03930862      9.29203129    -10.86943160
  H     18.06085333      9.59665166    -16.09359244
  H     16.71733352     13.14042862    -13.05073005
  O     16.66254609     12.37270206    -13.61524936
  H     18.24149675      8.05204029    -16.07953822
  H     12.94037370      9.65133687    -16.37063936
  O     13.70656388     10.24297765    -16.44355130
  H     14.30232802      6.22555951    -15.85207988
  H     14.26577509      9.86643860    -17.13688159
          69
 Energy    -247.93240736073460     
  O     15.69427720      5.11811984    -12.56023538
  H     16.43379355      4.92197743    -11.97262803
  H     18.25515804      7.82196323    -15.06176387
  O     14.75530953     11.24338826    -12.46542998
  H     15.99824063      5.03076658    -13.47785475
  H     14.93987286      8.12469349    -16.61417868
  O     17.63982720     11.32892148    -13.06168873
  H     15.66687214     11.37642336    -12.74498850
  H     15.93831663      9.19434688    -16.10773098
  O     10.73044683      7.53482907    -16.15528838
  H     14.28699022     10.83763667    -13.20906054
  H     15.83114347      6.96974854    -12.57459468
  O     16.55512262      6.56972984     -8.98120572
  H     17.90971239     10.65090427    -12.41866988
  H     15.37719786      8.33193078    -11.94806266
  O     12.74748444      7.12194452    -14.25527823
  H     18.20413036     12.08471613    -12.92130638
  H     13.47866205      6.29880348    -10.41731033
  O     13.42526447      9.86770770    -14.54118374
  H     11.14780230      7.18532341    -16.95189785
  H     13.95432749      7.68323867     -9.93636533
  O     12.91582182      9.53007684    -18.27558049
  H     11.31691932      7.29067184    -15.42493257
  H     18.47736068      5.52585746    -11.38229026
  O     16.52622066      5.18003855    -15.13511957
  H     17.01065521      5.95964495     -9.57007210
  H     18.47994238      4.17114710    -10.63438699
  O     17.13155561      9.17198825    -14.74797096
  H     15.60694941      6.50279584     -9.17387961
  H     13.99153404      5.20782310    -12.22174269
  O     14.33477250      6.40944153    -16.41861601
  H     12.79933500      6.62960416    -13.42788964
  H     12.59232204      4.57584550    -12.01382627
  O     18.76822479      6.99876334    -15.11609799
  H     13.01332902      8.03760758    -14.10082194
  H     17.42048361      8.65679083    -11.84189767
  O     15.13899420      9.07234010    -16.63573628
  H     14.04354043      9.65358290    -15.25330763
  H     17.89678867      9.25053157    -10.49832198
  O     15.93021634      7.92705770    -12.63006201
  H     12.60157731     10.12466678    -14.97560858
  H     19.13740735      7.62232234    -11.97452311
  O     13.88137894      6.75565683     -9.67088213
  H     13.77134089      9.52523623    -17.82317068
  H     19.21159442      6.77244879    -13.26427556
  O     17.91896307      4.89901666    -10.88895158
  H     12.29151312      9.92029752    -17.65167812
  H     17.10779904      9.51165035     -8.00325798
  O     13.05327281      5.41030339    -12.05509721
  H     15.83122422      5.55671946    -15.69194707
  H     16.88071183      8.23976987     -8.85868310
  O     18.13887525      9.16195899    -11.42978498
  H     17.30549693      5.73920474    -15.23033788
  H     12.55937984      7.81538627    -18.47155636
  O     19.32846627      6.73628105    -12.30725400
  H     17.38187237     10.01474227    -14.35109436
  H     12.18411868      6.56348908    -19.30032601
  O     16.99764662      9.20846688     -8.89960002
  H     16.60390179      8.70499304    -14.07839715
  H     14.60652926     10.07988340    -11.13072719
  O     12.38285589      6.85880957    -18.41608106
  H     13.72255874      6.38856004    -17.16464886
  H     15.38768308      9.42350624     -9.94785971
  O     14.64966774      9.29953947    -10.55718039
  H     13.79696072      6.57250253    -15.62853982
  H     10.30923425     10.73025901    -16.07901002
  O     11.11869966     10.22975490    -16.13245584
  H     19.39849639      7.11244854    -15.82367267
  H     10.86926523      9.28802564    -16.13459366
          69
 Energy    -247.93225481081896     
  O     13.01277375     12.67047082    -10.80955998
  H     12.26062440     12.06957004    -10.91587702
  H     12.70416696     11.50217188    -15.49692280
  O     14.69739293     13.05024224    -17.48978230
  H     13.67562770     12.19799797    -10.29117770
  H     13.88975147     16.04905668    -16.96470732
  O     14.89513257      9.24889853    -11.81073360
  H     14.21617328     12.21732443    -17.41892649
  H     14.20189702     14.54688346    -16.76624693
  O     15.46479352     15.38668647    -11.46774378
  H     15.63424618     12.81968891    -17.44956750
  H     12.18878366     14.79445491    -13.59283429
  O     13.60200928     10.52638805    -16.77995468
  H     15.04287355      8.30451332    -11.96659567
  H     12.60262022     14.87469677    -15.08447783
  O     15.36682898      6.70463317    -12.66231915
  H     15.54332473      9.71923254    -12.35663133
  H     18.11577659     12.66751604    -11.78620119
  O     15.19669321      7.42049319    -15.30372238
  H     15.71196673     15.40665058    -12.40264033
  H     19.57059817     12.21079563    -12.04867618
  O     14.54761487     12.56915903    -13.20707901
  H     14.50451264     15.46301589    -11.47038994
  H     10.05702678     10.84138932    -11.36194750
  O     12.41431549      9.48093692    -13.16344300
  H     13.11074161      9.71740689    -16.59506976
  H     11.38577188     10.22997817    -11.83046239
  O     16.21422775      9.98749325    -15.97519527
  H     14.51343990     10.34321429    -16.50352235
  H     18.10064477     12.31997220    -17.85520908
  O     18.10665449     13.55690424    -14.97107119
  H     15.76830910      5.84487693    -12.57481929
  H     17.70313042     12.69542843    -16.40746230
  O     12.34058862     11.77561969    -14.64450544
  H     15.35429917      6.89988589    -13.61527435
  H     12.38114379      8.54252110    -14.71436902
  O     13.96395164     15.36918680    -16.30054392
  H     15.66043337      8.20630262    -15.61975160
  H     11.68657654      7.62345039    -15.74382342
  O     11.97669169     14.46426593    -14.47414239
  H     14.26316898      7.57227906    -15.49443451
  H     15.16660719     10.65319815     -8.91649598
  O     18.72072330     12.31704650    -12.46630430
  H     14.14077435     12.66578577    -12.33834919
  H     14.98189189     10.38059967    -10.42596755
  O     10.99295006     10.82720312    -11.17570951
  H     13.82981678     12.31940905    -13.80390162
  H     17.40455126     11.16431650    -13.07127040
  O     17.41232130     12.21501008    -17.20416314
  H     12.37672429     10.32975176    -13.63586499
  H     15.90089125     11.45822796    -13.31997145
  O     12.44848915      8.18257369    -15.61449507
  H     13.26634080      9.41716220    -12.71050801
  H     12.66622568     14.33080319    -11.32317853
  O     15.05231725     11.08497337     -9.75963194
  H     16.37609622     10.20785162    -15.04573325
  H     11.96722994     15.70052687    -11.17857209
  O     16.57686556     10.76210161    -13.35883416
  H     16.70570593     10.63883130    -16.49034366
  H     16.40428306     13.94906927    -10.83931307
  O     12.57710812     15.21147807    -11.72629673
  H     18.42705266     13.17196061    -14.14766563
  H     16.30748547     12.49239818    -10.29700881
  O     16.91651586     13.14933979    -10.64851857
  H     17.35874330     14.12002047    -14.72533314
  H     15.21057544     15.18282239    -14.91766041
  O     15.77750113     14.86668693    -14.20459366
  H     12.07869638     12.70813817    -14.67680378
  H     15.34598666     14.07425978    -13.84888064
          69
 Energy    -247.93223485991106     
  O     13.31844800     14.15762417     -9.99119706
  H     13.17949261     13.20878307     -9.81928450
  H     12.37413716     14.37026135    -13.90588419
  O     15.82016068      9.12669953    -10.95777976
  H     12.83842558     14.63084501     -9.31639136
  H     18.10724940     13.29344048    -14.00300484
  O     15.87162483     15.79689045    -13.33099254
  H     14.90004204      9.31217264    -11.19851468
  H     18.40673953     12.10526150    -13.07096843
  O     14.02585836     10.35003984    -15.82654443
  H     15.99969127      9.67047694    -10.18174378
  H     14.10350945     11.27395074     -9.10809942
  O     15.46017489      6.74963074    -12.41914484
  H     16.58288335     15.68489458    -12.69096723
  H     13.04453220     10.80676922    -10.11698617
  O     16.10035469      6.81704711    -15.05332580
  H     16.11516802     15.24115844    -14.08307012
  H     17.15109505     11.64434256    -17.81229699
  O     15.32539929     12.35016122    -13.01700970
  H     14.00555861     11.24572638    -16.19493591
  H     17.20852107     10.91294854    -16.46014857
  O     13.10354059      9.59860665    -11.52270162
  H     14.95312122     10.11591702    -15.68827978
  H     14.25260365      7.30288236    -15.34218528
  O     16.70233878      9.52838373    -15.41363072
  H     14.49467886      6.74149775    -12.41360354
  H     13.43883496      8.58951624    -15.56922618
  O     12.77794301     11.36546515    -13.58289864
  H     15.71955461      7.47226234    -11.83266619
  H     16.11084290     11.89588122     -9.47167391
  O     13.94532518     13.04166907    -16.44463598
  H     15.94774128      6.76226850    -14.09246106
  H     16.58651276     11.21705666     -8.16557203
  O     11.92158959     13.83247856    -14.58197345
  H     16.52268935      6.00252623    -15.31206024
  H     18.28039565     14.29156147    -12.07089701
  O     18.62347046     13.03230833    -13.23100664
  H     14.40859717     12.07186652    -13.12513115
  H     18.70416729     15.51632681    -11.22404079
  O     13.23291750     11.49164206     -9.46121257
  H     15.43405748     12.73886521    -12.14088441
  H     16.99152764      9.89839709    -12.21135860
  O     17.35065045     11.77209841    -16.88750712
  H     12.83493011      8.72758905    -11.83914129
  H     16.61015768     11.15795424    -12.98277437
  O     13.36397826      7.67320662    -15.27173874
  H     12.91451195     10.22377408    -12.23857132
  H     13.22917091     14.86451619    -11.76624270
  O     16.04672533     11.08352956     -8.94038467
  H     16.58072670      8.57199472    -15.37640627
  H     14.14181618     15.45732523    -12.87825559
  O     17.95061725     14.99035956    -11.47695107
  H     17.00139770      9.80843912    -14.53624831
  H     11.90399712      6.48632097    -12.71310204
  O     17.31448708     10.49464290    -12.89781650
  H     13.15451648     10.93927720    -14.36813792
  H     12.80618365      7.31721851    -13.65710082
  O     13.23696428     15.17666824    -12.67708239
  H     12.33446569     12.16923233    -13.88102590
  H     15.12309020     13.83564363    -10.24195417
  O     12.62791792      7.10640711    -12.72252367
  H     14.75865210     13.44541219    -16.12388697
  H     16.62015649     14.02267123    -10.70246972
  O     15.94975991     13.37701937    -10.44390516
  H     13.23554327     13.39973853    -15.89573290
  H     16.04684685     13.19467370    -14.42451067
  O     16.49370998     13.69037436    -15.13082037
  H     11.10007721     14.27213933    -14.78152011
  H     16.82438966     13.05781100    -15.78724465
          69
 Energy    -247.93214622403605     
  O     15.90702139      9.23263828    -14.66429482
  H     16.00048325      9.83460569    -15.42152041
  H     18.19295591     10.24004647    -11.20056046
  O     17.65126168     15.51506838    -16.11426505
  H     15.12351992      8.71694147    -14.83399472
  H     20.66056249     18.36177332    -11.45403517
  O     21.01848043     10.13828323    -15.72913327
  H     18.34751839     15.18183038    -16.69290369
  H     20.76485378     16.84343061    -11.17284571
  O     19.53809353     13.15080246    -10.37634208
  H     18.10233256     15.89090917    -15.34727694
  H     21.15928736     12.63691766    -11.01875986
  O     15.24086485     14.52233955    -12.78521744
  H     20.78630504      9.46383468    -15.08032844
  H     22.64636646     13.01504315    -11.26555607
  O     21.10961398      9.66332881    -11.24809963
  H     21.31344239     10.89551464    -15.20419759
  H     17.15234672      9.51767404    -13.46769155
  O     19.02303808     11.75472232    -16.69205359
  H     19.15064799     12.28099819    -10.22246804
  H     18.66740400      9.23994242    -13.18549396
  O     21.31614212     14.86355603    -15.22028276
  H     18.94034681     13.61018800    -10.98592879
  H     19.98358257     14.27184593    -18.48293011
  O     21.06800609     15.54221101    -10.03746983
  H     14.47097197     15.08472351    -12.80948693
  H     19.54521689     13.33939609    -17.33114142
  O     21.21264963     12.38859889    -14.03949422
  H     15.34729006     14.17256566    -13.68442467
  H     22.18815552     16.73711103    -12.84300392
  O     16.25668637     11.05921421    -16.68315366
  H     21.59271801     10.49997372    -11.27991755
  H     22.44909412     15.75574743    -14.00536960
  O     18.50527721     10.49698989    -10.31674044
  H     20.29406533      9.85653124    -10.77065914
  H     19.97467453     15.70573633    -14.31356552
  O     20.69659738     17.50976160    -11.88001158
  H     18.72469624     11.99126505    -15.80260948
  H     19.66308689     16.74176569    -13.20390904
  O     21.99383295     12.31557246    -11.39225003
  H     19.71770400     11.09347162    -16.55477595
  H     23.38600178     15.12959321    -11.89733214
  O     17.90436034      9.76471632    -12.90767758
  H     21.37487767     13.98013490    -14.82521689
  H     24.47130928     14.77939432    -10.85081312
  O     19.81100296     14.24976653    -17.54499893
  H     20.93000394     14.74363733    -16.09571439
  H     20.69060419      8.83286758    -12.72928183
  O     22.84924796     16.14006795    -13.21459961
  H     21.95519310     15.21942744    -10.24039898
  H     20.51206813      7.50306651    -13.50024417
  O     19.25193262     16.14768060    -13.84437169
  H     20.50466790     14.76080741     -9.98117427
  H     18.22351146     12.95488642    -13.34266379
  O     23.56819581     14.60206290    -11.09885611
  H     20.25161156     12.31149014    -13.97896722
  H     18.17349239     11.39899973    -13.59041966
  O     20.29261407      8.43108299    -13.52256493
  H     21.55844741     12.33588056    -13.13884185
  H     16.51300015     14.23873565    -15.61943087
  O     18.36820432     12.25534804    -13.99596344
  H     15.95851359     11.91823688    -16.35671889
  H     16.74423033     12.95119807    -14.80518316
  O     16.05439167     13.47685073    -15.22960082
  H     17.18371043     11.18304663    -16.92228985
  H     18.35714052     15.01496969    -12.78795314
  O     17.92928395     14.32709451    -12.25790602
  H     17.91061784     10.09266265     -9.68936050
  H     16.97187370     14.45698863    -12.31046709
          69
 Energy    -247.93197992126176     
  O     12.04206491      8.01255146    -15.20320032
  H     12.77744476      7.51181836    -15.58077209
  H     16.51079000      4.72481815    -14.48516706
  O     16.75637913      6.74160135    -12.10208887
  H     12.25424402      8.94182517    -15.34903049
  H     15.64357551      9.53605075    -17.21069958
  O     15.86047514     10.99200032    -11.20462913
  H     17.20864511      7.54028430    -11.80085009
  H     16.04617557     10.55115534    -16.13594746
  O     17.20793637     10.53290157    -14.71576137
  H     16.01704884      6.58724893    -11.49960267
  H     16.17760762      9.02231253    -14.30320972
  O     14.66229521      4.21852994    -14.71835450
  H     16.58301491     10.35392021    -11.31343055
  H     16.00735383      7.73897449    -13.41536089
  O     14.46213228      9.72869608     -9.10632288
  H     15.16249023     10.76324250    -11.83673158
  H     10.33448187      6.71846317    -12.90774275
  O     14.59310607      6.47939484    -10.38527711
  H     18.06551283     10.14114576    -14.51525218
  H     11.51369414      7.33739583    -13.69337058
  O     13.86904302     10.15085937    -12.96809013
  H     17.13668662     11.34281263    -14.19014478
  H     18.96027825      7.07222740     -8.99625206
  O     18.40723239      7.29452484    -15.65963262
  H     14.40832007      3.32016987    -14.91112449
  H     17.64354550      7.81801115     -8.73680778
  O     15.89136332      7.66167799     -8.12513052
  H     14.20577195      4.46661472    -13.89418013
  H     12.60334395      5.60823110    -12.62630553
  O     19.45586437      9.02545783    -13.88823920
  H     14.96582457     10.28917583     -9.71224049
  H     13.80347428      5.35160566    -11.69474251
  O     17.36254772      5.13220404    -14.29327934
  H     13.72054451      9.38575768     -9.62056976
  H     16.59578539     12.26374574    -12.29208160
  O     15.35322722     10.34838845    -16.78041221
  H     15.01488073      6.71804107     -9.55222069
  H     16.96734055     13.65247103    -12.83926344
  O     15.56092337      8.32650117    -14.03824991
  H     13.97896054      7.19797315    -10.59894045
  H     18.59964335      9.14857808    -12.20183451
  O     11.26250468      6.92827792    -12.84557395
  H     14.42032517      9.42903833    -13.31251702
  H     18.34599432      8.83865288    -10.66826560
  O     18.52916610      7.91571670     -9.11801581
  H     13.45117255     10.53655955    -13.74535183
  H     14.81491222      7.28916630    -15.26070105
  O     13.36106667      5.02628688    -12.48803926
  H     17.78462060      7.50980054    -16.36093214
  H     14.48165082      5.81306197    -15.62193110
  O     16.97777150     12.72416502    -13.05588577
  H     18.08537649      6.47760264    -15.24837895
  H     13.09528071      9.14421412    -11.69654021
  O     17.95549603      9.18630808    -11.48374692
  H     15.66193496      7.52434204     -7.20948049
  H     12.12643013      7.96409093    -11.53575051
  O     14.42808557      6.72026088    -15.94747242
  H     15.40280578      8.45335037     -8.41769791
  H     13.78625138     10.58973646    -16.03825272
  O     12.76594103      8.50068422    -11.05147100
  H     20.37940804      9.15431492    -14.08656283
  H     12.48720495     11.42436354    -16.01808083
  O     12.94035028     10.71435101    -15.57157053
  H     19.12617226      8.35828641    -14.51944292
  H     15.60481200      7.32634921    -17.13795427
  O     16.30234400      7.78087926    -17.64048823
  H     17.24194204      5.58764372    -13.44760665
  H     16.32702049      7.37415305    -18.50318635
          69
 Energy    -247.93196952335131     
  O      4.05537704     -3.23840007      1.65474566
  H      3.79623504     -2.97775973      2.55218313
  H      6.69624599     -4.70180673     -1.40850744
  O      3.60693750     -2.15677590      4.09349727
  H      4.76318110     -2.62935904      1.39075443
  H      4.68259402     -4.20980291     -2.76647881
  O      9.23478497      0.75121899      0.85186599
  H      4.46087563     -2.01006446      4.51944611
  H      4.46488196     -5.07713814     -1.51352429
  O      2.50072693      0.92324756      1.10143153
  H      3.20292193     -1.28291807      4.01542206
  H      2.17035400     -3.39334026     -2.51722730
  O      5.50211259      0.96365284      3.81316991
  H      9.73498399      1.53382050      1.07180325
  H      2.01757118     -4.25903599     -1.25248686
  O      2.69944760      0.52912686      3.76558571
  H      8.30446507      0.95861885      1.03834715
  H      6.80611060     -1.91469757      4.42811824
  O      9.96291797     -3.32978745     -0.66033460
  H      2.35005116      0.06539899      0.67895787
  H      6.61044191     -1.66994733      5.94133951
  O      6.73504163     -1.79237314     -1.58110297
  H      3.16847803      1.36226532      0.56463147
  H      4.53707474      1.00620266     -1.20547556
  O      6.04913952     -1.46444435      1.06272670
  H      4.53867722      0.90851313      3.84637614
  H      4.55184377      2.54858762     -1.24395070
  O      9.23444869     -0.72175222     -1.59173050
  H      5.82185043      0.19701068      4.30404703
  H      7.06711667     -4.18672629      2.33202857
  O      2.50120258     -1.59150856     -0.07656805
  H      2.58694250      0.70040478      2.81361364
  H      5.64890008     -4.47670526      1.83898898
  O      7.42570217     -4.40379996     -0.84456713
  H      1.98538131      0.97751237      4.21066623
  H      8.58747496     -2.35902859      2.75156097
  O      5.10755694     -4.86559427     -2.20243625
  H      9.10230406     -3.77170616     -0.75054197
  H      7.11201463     -2.17638293      2.34125757
  O      1.59282711     -3.55569390     -1.76069498
  H     10.61939500     -3.95272372     -0.96278170
  H      3.47992854     -4.56332150      0.56231552
  O      6.21885314     -1.50657916      5.08717311
  H      7.58213458     -1.33653681     -1.69598343
  H      3.06254526     -6.03998917      0.39184984
  O      4.62373078      1.80100927     -0.65469233
  H      6.92517590     -2.72845722     -1.43777880
  H      3.85998443     -1.97779155     -3.19377937
  O      6.55839677     -4.78315001      1.76550611
  H      6.14009007     -0.52079797      1.24031839
  H      3.64355910     -2.62645185     -4.57603564
  O      7.68059618     -2.54069783      3.03640307
  H      6.35210292     -1.60382960      0.15589836
  H      3.71616674     -0.97630482     -1.29701537
  O      3.21358858     -5.23014504     -0.09048800
  H      9.63663699     -1.56435910     -1.34191881
  H      5.18124102     -1.03915732     -1.86943642
  O      3.64228418     -2.81052879     -3.63946018
  H      9.30094988     -0.15042882     -0.81591926
  H      6.19025023      1.28354023      2.23531323
  O      4.30711610     -0.63090150     -1.98338059
  H      2.01586004     -2.20284996     -0.64950771
  H      5.91141238      1.56164623      0.70605973
  O      6.57007964      1.25762533      1.34159760
  H      2.94652058     -2.12796677      0.58933375
  H     10.07040079     -2.38714882      1.00378335
  O     10.01213314     -1.85403843      1.80650089
  H      7.16828601     -4.59537167      0.06927973
  H      9.81003231     -0.95480223      1.51855168
          69
 Energy    -247.93194114332022     
  O     15.74895973     10.32399167    -16.64192753
  H     16.32112232      9.83097606    -16.03877982
  H     16.09927517     11.11537821    -10.35868046
  O     14.53686041     12.04399439    -14.76081850
  H     15.14336080     10.82858835    -16.08193112
  H     18.85591663     16.40239361    -13.03635918
  O     19.48123210     10.08477150    -11.25302569
  H     15.48830885     12.09165280    -14.57461388
  H     20.16434512     16.76436648    -13.76757248
  O     20.18412460     12.71165916    -11.90182733
  H     14.13868825     11.62862137    -13.98537117
  H     20.24794278     12.09384053    -15.22589381
  O     13.75825674     10.79875444    -12.36671083
  H     19.72896698      9.68866146    -12.09602602
  H     21.50657801     12.67942292    -14.52968394
  O     17.11396270      9.54769287    -10.07450176
  H     19.76812563     11.00606591    -11.30725251
  H     16.21925751      8.92233792    -11.61688567
  O     17.41334125      9.25170098    -14.59033341
  H     20.72061020     13.48694838    -11.69431512
  H     15.02638822      9.33832993    -12.49603552
  O     18.62004834     15.22576978    -16.32883305
  H     20.38816271     12.46436810    -12.81396201
  H     16.40626634     13.78803388    -17.96619639
  O     21.59966738     15.09835347    -11.64168426
  H     14.35862907     11.24336885    -11.73998148
  H     15.70570826     15.06765146    -18.46939715
  O     18.83994830     12.49716550    -16.27773972
  H     12.91257797     10.72796788    -11.93224616
  H     21.16678193     17.19259324    -16.14079744
  O     16.92310934     12.05106280    -18.32584887
  H     17.98734969      9.73039570    -10.46490780
  H     20.08146670     16.11671555    -15.90333806
  O     15.57288247     11.86144686    -10.67321616
  H     17.27143222      9.09168387     -9.25238548
  H     16.41458522     15.36029893    -14.07122443
  O     19.77332914     16.66432107    -12.89002349
  H     18.34394860      9.11676366    -14.38130382
  H     17.85330835     15.40378468    -14.57645016
  O     20.90546282     11.91966191    -14.53766250
  H     16.87505486      8.94107747    -13.84377340
  H     21.89038579     15.03807761    -14.81520772
  O     15.79280134      8.75287773    -12.46655936
  H     17.81389777     15.28114605    -16.85462092
  H     22.22011425     14.55947337    -13.39662435
  O     16.21537173     14.71285955    -17.74426232
  H     18.83368966     14.28118692    -16.29281444
  H     20.89904661      8.70446209    -14.14222761
  O     20.87971575     16.52317844    -15.52501267
  H     22.03627608     15.57235014    -10.93963806
  H     20.52450690     10.20123673    -14.15799847
  O     17.32523374     15.50839411    -13.77554862
  H     20.92121904     15.69494230    -12.00700795
  H     17.30807727     11.01095343    -14.13862078
  O     22.26554743     14.29701625    -14.32441879
  H     18.34786213     12.25478934    -17.06901176
  H     17.33302895     12.35257715    -13.29414244
  O     20.20172279      9.31647430    -13.91833959
  H     18.23922775     12.34898940    -15.52657832
  H     14.65800168     13.91702813    -14.94663127
  O     17.23907589     11.97507916    -14.17609052
  H     17.04249080     11.62911033    -19.17236506
  H     15.31486256     14.81590886    -16.00044557
  O     14.99485166     14.81121554    -15.09137386
  H     16.46640479     11.40596899    -17.75420542
  H     18.45843018     13.27127606    -11.77345276
  O     17.51717236     13.47484920    -11.86138357
  H     16.20422173     12.51806217    -10.99679936
  H     17.43841433     14.24186980    -12.44559444
          69
 Energy    -247.93191500725692     
  O     12.20268263     13.17402350    -12.25595080
  H     12.85406579     13.04999588    -11.54149655
  H     18.63109168     13.48469342    -16.33711065
  O     18.78244168      6.97720747    -12.28237781
  H     11.58442532     13.83375810    -11.95469975
  H     12.21966974      9.81356366    -14.33157387
  O     17.59026909     10.85575713    -11.75388459
  H     18.69143785      7.51044096    -11.48705753
  H     13.29174945      8.99737020    -15.10466511
  O     13.96634279      9.86320468    -10.83731688
  H     19.36372276      7.46311386    -12.88868516
  H     14.91906911     11.29690234    -13.54835684
  O     15.98804278      6.74006968    -12.71272185
  H     16.79162495     10.67852666    -12.27816392
  H     15.14815256      9.76208351    -13.75959940
  O     15.51761046      7.61561080    -10.01284632
  H     17.46758044     11.73570674    -11.37569386
  H     12.82612465     11.91376893    -17.33708452
  O     17.95517014      5.20974678    -14.29845453
  H     14.42121140     10.06452683    -11.67058709
  H     13.07618817     10.92612525    -16.17092385
  O     14.17367395     12.85395500    -14.20196072
  H     14.39384128      9.07960941    -10.47755379
  H     17.93818874      9.51170494    -10.69600404
  O     17.28053137      9.04985989    -16.04008383
  H     16.94531571      6.86972086    -12.64806139
  H     18.70564404      9.00392871     -9.45139223
  O     16.26850603     11.50844069    -16.98560987
  H     15.64829414      6.91720010    -11.82929245
  H     19.98141746      7.80519089    -15.00147111
  O     18.93451253      6.79442922    -16.31721553
  H     15.41880561      7.03706506     -9.25987768
  H     19.90829492      9.16167684    -14.26667609
  O     18.12485919     12.98887879    -15.69918364
  H     16.41382718      7.98437471     -9.96768149
  H     15.71425396     13.70945948    -13.80111236
  O     12.55826469      9.61654664    -15.21661829
  H     17.03093571      5.30578920    -14.05083656
  H     17.18681222     13.74856999    -14.24697477
  O     15.31348442     10.50393569    -13.16427397
  H     18.43645330      5.60032116    -13.55407431
  H     17.22038361     14.15041181    -10.45225863
  O     13.43623065     11.70498745    -16.63553206
  H     13.41428735     13.01817088    -13.62761046
  H     16.77907840     13.68908226    -11.86254630
  O     18.08305121      8.73769797    -10.12335360
  H     13.84999953     12.57113200    -15.06646369
  H     14.08015395     11.66622046    -10.37756667
  O     20.26090728      8.26333839    -14.19999726
  H     17.82499220      8.28526337    -16.26393507
  H     15.03131197     12.88294899    -10.52753286
  O     16.59481866     14.00957223    -13.53246001
  H     17.77991066      9.56688406    -15.39208911
  H     18.48367910     10.76996586    -13.38818478
  O     16.85621138     13.41052820    -10.93032682
  H     15.30697634     11.54271770    -16.92433871
  H     18.69166907     11.49942383    -14.74348565
  O     14.10892918     12.63317250    -10.40384020
  H     16.53135253     10.59408097    -16.81604300
  H     12.37050853     10.03003744    -11.92561156
  O     18.81667550     10.65759173    -14.28758845
  H     19.28404848      6.27310403    -17.03508284
  H     11.76209654     11.29772853    -12.52854746
  O     11.78179945     10.33839359    -12.62535886
  H     18.56945494      6.16807779    -15.66884545
  H     15.73490509      8.46426940    -15.29899386
  O     14.95753803      8.26056173    -14.76043723
  H     17.42875893     12.52094028    -16.19637934
  H     15.24419298      7.65138122    -14.06509816
          69
 Energy    -247.93179184928061     
  O     16.52304590      9.97988411    -17.68286820
  H     15.64242390     10.27711095    -17.41613245
  H     19.37256165      6.63907602    -12.45173823
  O     16.50500507      5.85463459    -13.23145383
  H     16.90895633      9.52700788    -16.91796809
  H     21.44844589     10.53882259    -17.76689012
  O     17.97014306     13.49762496    -12.28612457
  H     16.01839108      6.68363562    -13.28655576
  H     19.95933481     10.79805822    -17.43413455
  O     20.17792721      9.30087398    -14.73454337
  H     17.24708237      6.02458969    -12.63670716
  H     18.49393600      8.79433726    -15.26340487
  O     15.30361902      6.63529326    -17.47870619
  H     17.86072033     13.50518681    -13.24584762
  H     17.58223360      7.61479275    -15.72926444
  O     16.28459203     10.78856385     -9.84089479
  H     17.08339730     13.33916318    -11.94066741
  H     14.30963784     11.05887726    -15.73950542
  O     15.53473881      8.60832167    -13.77899303
  H     19.96183001     10.00039629    -14.10237834
  H     13.80416970      9.72317421    -16.31972788
  O     17.63737569     12.38454757    -14.90582380
  H     20.46663899      9.69321727    -15.56793927
  H     16.66182245      8.90033454    -12.34526913
  O     20.37730850      6.70261210    -13.83445105
  H     15.96549043      6.18030269    -16.93662950
  H     17.87906113      8.24736621    -11.62880535
  O     20.07632433      5.44847979    -16.37363778
  H     15.80091782      7.01180520    -18.21210365
  H     12.83076877      7.42924832    -15.70683854
  O     17.34165263      5.77139065    -15.85037511
  H     16.68928505     10.12357534    -10.42019874
  H     14.22125089      7.44681666    -16.38194587
  O     18.76041025      6.64496587    -11.69277782
  H     16.77861886     10.76623551     -9.02491734
  H     18.84866666     11.86591096    -12.48395866
  O     20.68283842     10.15012523    -17.35259916
  H     14.78072430      8.34624688    -14.32445953
  H     18.50857790     10.35148008    -12.43085474
  O     17.59618039      8.56062950    -15.52839236
  H     16.30006326      8.63783348    -14.37928106
  H     15.58973323     12.03508271    -10.86668269
  O     14.09294861     10.61048953    -16.56726754
  H     18.16359832     11.82177175    -14.32186914
  H     14.64666758     13.24399320    -11.07318171
  O     17.36823456      9.06430611    -11.70639397
  H     16.72042496     12.12333570    -14.74905864
  H     20.02553838      8.41806734    -17.87977433
  O     13.66442337      7.89205686    -15.71761760
  H     20.35139783      6.18377059    -14.64621139
  H     18.85713876      7.63174350    -18.53076690
  O     19.06807249     11.00585197    -12.86928139
  H     20.43460749      7.62709245    -14.11713595
  H     15.08693098     11.89131014    -13.19022281
  O     15.29167212     12.69661847    -11.51430474
  H     20.58445285      4.77116281    -16.81138374
  H     15.22025845     10.49763301    -13.85796677
  O     19.69426233      7.53077570    -18.06174379
  H     19.99262764      6.18808866    -17.00336187
  H     17.84170784     11.27691225    -17.72907758
  O     15.11534142     11.43909474    -14.04302589
  H     17.10093337      5.64032355    -14.92147282
  H     18.32755873     12.18749299    -16.60314012
  O     18.58958910     11.82842411    -17.46221110
  H     18.25377090      5.48882696    -15.98147763
  H     16.98755654      8.11419487    -20.25349312
  O     17.13458165      7.93006835    -19.32904684
  H     19.18472511      6.15613856    -10.99305574
  H     16.88402316      8.73453869    -18.84042305
          69
 Energy    -247.93163168334539     
  O     12.32033337     12.49089386    -13.03770481
  H     12.15309832     13.42644725    -12.95905280
  H     16.67993797      5.79329184    -13.09379881
  O     19.19804364      9.61730232    -12.17912195
  H     13.12345167     12.39279015    -13.57810470
  H     17.32775958     11.36227490    -17.04262524
  O     15.68302472     10.38080041    -11.26481782
  H     19.06506431      9.54835180    -13.13606959
  H     18.69784272     12.04359653    -17.26331416
  O     11.17232283     10.59159685    -14.90371036
  H     18.85856493     10.48500063    -11.93504296
  H     13.37257629     10.11110185    -17.13461043
  O     14.14086588      7.82696911    -14.84264400
  H     15.92857043      9.50324003    -10.93566743
  H     12.32393590     10.85842709    -16.28448202
  O     14.86893120      6.17832429    -12.69968389
  H     16.45331336     10.96129725    -11.25617272
  H     16.77453739      9.64057077    -14.23252133
  O     18.70690155      7.23074426    -11.02895171
  H     11.28036293      9.76679414    -14.41331149
  H     15.84053788      9.88641250    -13.00058778
  O     14.47625868     11.99917535    -14.67176026
  H     11.36013550     11.29090587    -14.26644985
  H     13.03706403      8.81548513    -10.18601836
  O     18.24542051      6.93430886    -15.73653893
  H     13.31404494      8.03455604    -14.38540940
  H     14.21894661      7.87745702     -9.86077979
  O     15.99149806      7.72292254    -10.62012251
  H     14.78908539      8.49199177    -14.55763273
  H     18.48349030     10.17495401    -15.51707331
  O     15.84667648     10.80562942    -17.77332941
  H     14.68145972      6.66479312    -13.51471459
  H     18.44580073      8.61894181    -15.26031352
  O     17.62003281      5.84123956    -13.30837408
  H     14.00956201      5.96815901    -12.31539806
  H     17.55421310     12.55680129    -14.99990993
  O     18.14371543     11.64885706    -16.59519340
  H     19.46465112      6.95266607    -10.52212989
  H     16.17204403     12.79077151    -14.37656715
  O     13.09312620     10.99300702    -16.85961533
  H     18.93092643      8.09421189    -11.42186142
  H     18.18320763     12.86016653    -11.23488260
  O     15.85374718      9.71231400    -13.95020183
  H     14.96819969     11.20353030    -14.41910349
  H     17.62374176     12.40275137    -12.60075243
  O     13.25724630      7.95296420     -9.80966063
  H     13.99594001     11.75806225    -15.47586507
  H     12.61537349     11.10286308    -11.81914501
  O     18.47285808      9.49110316    -14.83754556
  H     18.58026061      6.25074703    -16.31006659
  H     13.90161909     10.40001654    -11.32880949
  O     17.11771055     12.89759420    -14.21004939
  H     18.02621770      6.49548177    -14.89619454
  H     11.88237932      7.58600525    -12.74424100
  O     17.85901906     12.09744549    -11.70651945
  H     16.93317690      7.50993896    -10.60704622
  H     12.30894406      9.06324236    -12.59820850
  O     12.94016456     10.29784768    -11.39796709
  H     15.61147365      7.21868921    -11.35412460
  H     11.68757205      5.48321142    -11.14536657
  O     11.96105827      8.41545569    -13.22951308
  H     15.58342843      9.87637624    -17.75710264
  H     12.55877898      6.72707566    -10.84348290
  O     12.26571063      6.12354055    -11.55056549
  H     15.01929213     11.27533311    -17.62512524
  H     14.26054876      8.11345460    -16.58226057
  O     14.30865415      8.43584617    -17.49776657
  H     18.04956273      6.24260853    -12.54369960
  H     14.05454278      7.70678627    -18.05719763
          69
 Energy    -247.93138268007237     
  O     17.57722693      8.28816720    -16.16121627
  H     18.22564975      8.30713265    -15.44834627
  H     17.35083374      9.68034996    -17.28161465
  O     14.78240616     10.36578123    -11.33210208
  H     16.80835519      7.84019757    -15.78683775
  H     14.17825694     10.98929007    -18.78106592
  O     18.72230639     15.02301483    -14.77885803
  H     14.43606860      9.79791730    -10.63334808
  H     15.49115724     10.82107086    -17.97061377
  O     15.31006781      7.40956007    -14.66888049
  H     14.07702812     10.45721678    -11.98926499
  H     17.79216736     13.32301782    -12.11851228
  O     13.68822381      8.40934050     -9.63064295
  H     18.72052693     14.53962050    -13.93235670
  H     18.87087384     12.68469154    -13.01432389
  O     15.23940501      6.58872226    -10.93192474
  H     19.43074063     15.65923639    -14.73145386
  H     13.35555253     13.85736016    -13.47504420
  O     16.13335113     11.50353353    -14.16619794
  H     14.64932121      6.85818962    -14.23259517
  H     13.51343613     13.25519809    -14.87725205
  O     12.74981130     10.57373461    -13.25218020
  H     14.85301492      8.19945040    -14.99761120
  H     19.74088698      8.01969907    -13.33691447
  O     16.66182813      8.51079383    -12.49737930
  H     13.57558995      8.23173728     -8.70111686
  H     18.29568627      8.56078740    -13.22187982
  O     18.92645828     11.32440573    -14.25501137
  H     14.25506358      7.70248300     -9.98810031
  H     12.82340039      5.33577065    -13.24065499
  O     14.30762425      9.83297125    -15.40664491
  H     14.67002036      6.24443401    -11.63193513
  H     12.86354721      6.80032414    -12.74244283
  O     17.15451747     10.45634124    -17.82911224
  H     15.88929290      7.14755112    -11.37734722
  H     14.99321415     15.25746381    -13.20862377
  O     14.55434133     11.08992520    -17.91162419
  H     17.08272850     11.34718280    -14.23658470
  H     14.16177256     15.81829380    -12.02810739
  O     18.64002435     13.50013609    -12.54596136
  H     16.00405810     11.96649022    -13.32848759
  H     17.19673367     12.97835518    -16.55957311
  O     12.98283772     13.20078991    -14.07730482
  H     12.67415470     11.52019772    -13.43773783
  H     18.48155107     13.61794290    -16.04206697
  O     19.10240742      8.58366276    -13.76536305
  H     13.15786455     10.19893023    -14.04547748
  H     15.40450432     13.53650030    -11.80341410
  O     13.41034670      6.07109032    -13.08656156
  H     16.11810130      9.22673234    -12.14600807
  H     15.56224384     12.03231831    -11.36276540
  O     14.44290961     15.00778425    -12.44366400
  H     16.19151308      8.13807296    -13.25936513
  H     15.53460946     12.61013934    -15.41461196
  O     18.15197167     12.84868248    -16.52663936
  H     18.86607943     11.63316974    -15.16740725
  H     14.89431152     12.57809716    -16.83275243
  O     16.03153647     12.80955802    -11.69674210
  H     19.12778587     10.38138617    -14.23077022
  H     12.12349109      9.01617494    -12.42966856
  O     15.21945134     13.17054481    -16.14338676
  H     14.25618855     10.17125089    -16.30778974
  H     12.44373549      8.27419150    -11.11479913
  O     12.05846186      8.15681071    -11.99167238
  H     14.99093393     10.35178465    -14.95230351
  H     16.87580831     15.43701274    -14.70540107
  O     15.91184973     15.46494370    -14.67468579
  H     17.72095305     11.17401580    -17.52935835
  H     15.61197162     14.80634547    -15.31513732
          69
 Energy    -247.93127595647852     
  O     11.50637799     10.55655572    -13.61291992
  H     11.68766769     10.12142811    -14.45838231
  H     15.82692853     11.60270376    -15.75914557
  O     15.93390544      6.59697562    -13.98977983
  H     12.09599374     11.31767367    -13.57634376
  H     14.96848485      8.13210791    -14.20489714
  O     17.49916839     10.55924046    -11.62924842
  H     16.73082187      7.07315475    -13.72103644
  H     13.87730006      9.08302965    -14.80573297
  O     17.11161210      9.89459736    -15.21751789
  H     15.48168405      6.32093986    -13.18078175
  H     11.32425692      9.33955595    -12.38927589
  O     12.19702973      6.42993071    -15.95412483
  H     16.54030340     10.65523327    -11.72519525
  H     10.36768267      8.66745193    -11.37706308
  O     15.72181552      7.72169326     -8.66938918
  H     17.90563130     11.15976812    -12.26822390
  H     18.51117006      7.50461504    -10.30276152
  O     14.52072013      6.11847073    -11.66629587
  H     17.64659265      9.26150033    -14.71824234
  H     17.88278319      6.13185678    -10.57538280
  O     14.79490081     10.67160130    -12.08980406
  H     16.19775665      9.69837831    -14.95458420
  H     11.79805084      7.10357458    -12.77200420
  O     15.95596095      8.80128234    -17.65000474
  H     11.57927312      5.78241323    -16.28269844
  H     12.96452768      6.10128757    -12.72693124
  O     16.34819333      5.29646931     -9.70820384
  H     12.18972383      6.35632777    -14.98212982
  H     17.99795209     11.30892459    -14.41937623
  O     14.99860704      6.43822084    -16.61516999
  H     16.48976654      8.28521502     -8.82876542
  H     19.17444001     12.28811499    -14.28866224
  O     14.96976658     12.02447627    -15.85214076
  H     14.99343083      8.09328927     -9.18470886
  H     18.37125903      7.58976210    -12.49193004
  O     14.66631900      9.04845837    -14.25333189
  H     15.10143498      5.67747771    -11.03432658
  H     17.84682083      9.01670823    -12.66880582
  O     11.24491472      8.61166937    -11.74685791
  H     14.31262332      6.98506132    -11.28852678
  H     17.91535864      9.71434802    -10.13516823
  O     18.55132842      6.74647718    -10.89966148
  H     14.36696186     11.47501427    -12.40551951
  H     18.69310028      9.63224226     -8.80273257
  O     12.20152694      6.37114279    -13.25332142
  H     14.73353003     10.04409995    -12.82967606
  H     14.61810068      9.83013318    -17.91302785
  O     18.40057177     11.96625918    -13.83184020
  H     15.65064129      7.92592435    -17.36218792
  H     13.69365331     10.65380202    -18.84609640
  O     18.07332770      8.21938084    -13.16574889
  H     16.56056811      9.11436768    -16.97022366
  H     14.16561090      9.38098095    -10.97383307
  O     18.09119051      9.14955016     -9.36373314
  H     16.38751220      4.60509998     -9.05314052
  H     12.86249278      8.57895143    -10.81194811
  O     13.85407487     10.43693345    -17.93218534
  H     16.11836083      6.11946389     -9.23834471
  H     14.01529178     12.45846572    -14.41599846
  O     13.78955111      8.60145093    -10.54225239
  H     14.04935459      6.35423023    -16.47067980
  H     13.37327666     13.58953059    -13.58361196
  O     13.49958336     12.64472932    -13.61235837
  H     15.40513257      6.32959393    -15.74407133
  H     12.78198526      9.59898310    -16.67381405
  O     12.38203314      9.21205378    -15.88473740
  H     14.54183932     11.57910713    -16.59588686
  H     12.24739515      8.26752065    -16.03930889
          69
 Energy    -247.93121447415740     
  O      0.63036472      2.50961141      3.19157335
  H      1.26531936      1.78568270      3.18550428
  H      2.25614684     -2.98518885      1.95035446
  O     -0.09023241      3.44419270      0.57086632
  H      0.47698295      2.77442406      2.27589126
  H      0.86500352     -3.24362468      3.75336218
  O     -0.60543144     -0.61268547      4.53861815
  H     -0.07535740      4.38579918      0.41887640
  H     -0.25063291     -2.44144675      4.45122226
  O      2.02579750     -2.87115531     -2.45192360
  H     -1.02061841      3.16367496      0.49069993
  H     -5.96048109     -0.52516235      3.86779344
  O     -1.68448323     -1.29665601     -3.78654858
  H     -0.93306845      0.21815665      4.89958158
  H     -4.78452459     -1.25841719      3.20628750
  O      1.02502789     -0.49095129     -3.26030600
  H     -1.02708556     -0.69697836      3.66786620
  H     -2.78115600     -1.12502428     -0.55835015
  O     -3.33376031      1.57196661      2.83221549
  H      1.74132609     -1.98626299     -2.74551731
  H     -2.37336477     -2.56511538     -0.10470334
  O     -2.01551336     -4.51750306      2.70494428
  H      2.73929217     -3.13429011     -3.02683817
  H     -0.98844729     -3.85441265     -1.77110539
  O     -2.14873356      0.30279649     -1.52197032
  H     -1.43614930     -2.15754116     -3.40482150
  H      0.20587622     -3.49628292     -2.67048815
  O      0.48918787      1.29699812     -1.17588536
  H     -2.16504401     -1.48043730     -4.58915640
  H     -2.25239059      0.25784562      2.23523958
  O     -4.27415970     -2.73010539      2.34062547
  H      0.13060360     -0.66941548     -3.57575253
  H     -2.23669437     -1.07736114      1.44200360
  O      2.54409032     -2.88165813      2.87263423
  H      0.94300402      0.23106707     -2.62256269
  H      1.24747846     -1.99279596      0.45672880
  O     -0.02670912     -3.31819717      4.11130657
  H     -4.00355606      0.93822154      3.13443360
  H      1.80790978     -2.96261391     -0.62006067
  O     -5.05172006     -0.41204884      3.60196247
  H     -2.80623738      1.83293182      3.59725899
  H     -0.15114399     -0.39929360      1.24573421
  O     -3.04073027     -1.87220594     -0.00283391
  H     -1.31570370     -4.09995563      3.23710289
  H      1.29976737     -0.20051950      1.73058618
  O     -0.75335762     -3.60228579     -2.67328096
  H     -2.17743411     -5.37412065      3.09263206
  H     -0.70173225      2.31250263      4.29834813
  O     -1.71136803     -0.51427533      2.02251338
  H     -2.12360085     -0.16890281     -2.36485702
  H     -1.42271960      2.71636891      5.60731981
  O      1.52844462     -2.90950555      0.30249079
  H     -1.25979913      0.66380996     -1.40110173
  H      2.33775268     -0.98441832      3.35265079
  O      0.76977030     -0.37610943      0.94318698
  H      0.39366434      2.15121520     -0.74003766
  H      1.10393480     -0.25902077      3.91892198
  O     -1.44838690      2.09396243      4.88569445
  H      0.68918854      0.67227680     -0.46079496
  H     -0.19491807     -3.61728010      0.24359372
  O      1.93148921     -0.11309580      3.43467004
  H     -4.07608975     -2.46402583      1.43178105
  H     -1.43609944     -4.21081453      0.96153815
  O     -1.11119956     -3.89402465      0.10901207
  H     -3.57154770     -3.34440986      2.58060150
  H     -3.00501396      2.24277014      1.14061884
  O     -2.61583804      2.51700053      0.29863300
  H      3.31658034     -3.43131988      2.98095358
  H     -2.69664465      1.77582828     -0.31241721
          69
 Energy    -247.93108981171474     
  O     17.12094518      9.72581555    -10.90611343
  H     17.07853023     10.57892567    -10.45881468
  H     13.27708437      8.67454129     -6.74784743
  O     13.84260045      5.41133742     -8.04296100
  H     16.62986192      9.10941835    -10.33745300
  H     18.81776032      4.80935268    -11.64119781
  O     16.88855760     11.91437275     -9.15107558
  H     13.19370789      5.49946817     -8.74874976
  H     19.27107584      5.40297684    -12.98414218
  O     12.46867988      5.86345005    -10.58361131
  H     14.67014853      5.21927400     -8.50692284
  H     15.62165220      5.44498434    -10.66899525
  O     15.57090886      8.55602500    -12.91829500
  H     16.85532461     12.86635022     -9.18805751
  H     16.96307440      5.36391867     -9.87302077
  O     19.44739419      8.24446445    -11.04837258
  H     16.20312134     11.63619548     -8.51560326
  H     20.70510204      7.40355614    -13.88507539
  O     20.63966561      8.81254046     -8.57803416
  H     13.20791599      5.83945123    -11.21356085
  H     19.78025143      7.58847694    -12.66010024
  O     18.71802834      5.70941931     -9.98752789
  H     11.71931203      5.47399982    -11.02758081
  H     18.15366204      7.26635570    -14.35921650
  O     15.22219702     10.94961249     -7.26134329
  H     16.13918865      8.19694187    -13.61532526
  H     16.95112146      6.32932851    -14.57195439
  O     13.14548226      9.73380998    -12.33345222
  H     16.13787503      9.03503645    -12.29950197
  H     14.74569601      8.27521949     -9.45318834
  O     12.98912869      8.53440315     -9.86733070
  H     19.96192822      8.45403588    -10.25808247
  H     15.79338350      7.11720388     -9.45236881
  O     12.91908354      9.43893201     -7.21438100
  H     18.66582217      8.81580174    -11.04035434
  H     18.03166176      9.70933603     -7.15116366
  O     18.79489375      4.65832724    -12.59508210
  H     21.48936602      9.06319421     -8.22584018
  H     18.14747335     10.93755034     -8.08162218
  O     16.00070058      5.34200395     -9.78590018
  H     19.98555396      9.43453863     -8.20944865
  H     14.10543571      6.51689062     -6.69443645
  O     19.86426492      7.14110040    -13.51928362
  H     18.91917361      6.55231494    -10.41501573
  H     13.94145771      6.75899761     -5.17897023
  O     17.23483794      7.24774728    -14.65489507
  H     18.83524850      5.87108059     -9.03987192
  H     14.96915895      6.87458754    -12.39265578
  O     15.68204609      8.06843515     -9.32931922
  H     15.74561868     10.24794354     -6.86226828
  H     15.21150737      5.40731251    -12.83676527
  O     18.66467893     10.31732116     -7.55417801
  H     14.32151089     10.59464917     -7.27264826
  H     18.21212851      7.20098744     -7.10503002
  O     14.27208430      7.15710677     -5.98037585
  H     13.97860272      9.35677269    -12.65920272
  H     19.61633944      7.38848778     -7.71181853
  O     14.72954954      5.95645488    -12.20431366
  H     12.94126705     10.46501846    -12.91033716
  H     16.36948996      8.37361628     -7.72141589
  O     18.97358572      6.71880885     -7.44596039
  H     12.67848799      7.64528403    -10.07717860
  H     15.96105947      7.98880978     -6.29857870
  O     16.66274897      8.42638591     -6.79649440
  H     12.96562305      9.04164893    -10.69172942
  H     17.27272963      4.51568114    -13.42057695
  O     16.43604416      4.56499193    -13.91779592
  H     12.80107103      9.15773469     -8.13231227
  H     16.38974666      3.77987239    -14.45650903
          69
 Energy    -247.93101381620426     
  O     12.49667182     11.01278562     -8.91844130
  H     12.23633103     10.94078724     -8.00441553
  H     10.53174317     13.58646158    -14.20990556
  O     11.98604628     11.83875479    -16.12668464
  H     13.23916775     11.64365796     -8.95343091
  H     16.92166375     14.07691314    -15.34222241
  O     13.43602178      8.94945978    -10.66250531
  H     11.80689354     12.59383821    -15.54506741
  H     18.27183683     14.21587701    -16.08768747
  O     17.89705495     12.25791572    -13.15052623
  H     12.40099542     12.19477760    -16.92206507
  H     12.10096554     13.48620972    -11.60136571
  O     11.29681740     11.86959753    -11.29715190
  H     12.91947174      9.10408731    -11.46413688
  H     13.14995857     14.64630772    -11.37496260
  O     12.16114105      9.79200713    -13.02916415
  H     13.11135508      9.57673841    -10.00521562
  H     12.54268725     14.92398989    -15.66744367
  O     14.19171923     10.64925075    -14.86821198
  H     17.58261503     11.37414808    -13.40323221
  H     13.37927836     14.55752593    -16.91098193
  O     14.59890063     15.30715704    -10.36418498
  H     17.99094247     12.72806189    -13.98615915
  H     15.12604476     12.25688640    -12.28475887
  O     10.16393410     10.11249671    -14.98887315
  H     11.56630977     11.59144830    -10.41285174
  H     13.84017724     13.07849427    -12.62891895
  O     15.48676980     14.69285578    -14.54379418
  H     11.63666496     11.19804946    -11.90498860
  H     13.61041848     13.08061347    -19.05994028
  O     15.74161020     11.92816042    -16.97871588
  H     12.92323237      9.96920732    -13.59379442
  H     14.38240665     12.67275154    -17.78091940
  O     11.35365720     14.00577946    -14.50279580
  H     11.40093363      9.73347258    -13.62148746
  H     16.48303832      8.12923518    -10.69202670
  O     17.68562184     13.57999321    -15.68528918
  H     13.44015661     10.96546798    -15.38791335
  H     15.12687875      8.81994806    -10.97461173
  O     12.58598115     14.21077372    -12.02481834
  H     14.36599744     11.34020289    -14.20439684
  H     16.52682302      9.34564133    -12.95111473
  O     13.33245378     15.16987191    -16.16715941
  H     15.38565229     15.19826024    -10.92615346
  H     15.87746301      9.88380069    -14.23726672
  O     14.54995422     12.54191723    -13.00426178
  H     14.66554482     16.17284972     -9.96917307
  H     17.02098006     11.88308851    -11.61274496
  O     13.54448686     13.04547821    -18.10973227
  H     10.75487612     10.68086717    -15.51180435
  H     16.29447343     10.67406132    -10.96526515
  O     16.08044580      8.84911119    -11.17009822
  H      9.66182341      9.59010393    -15.60912223
  H      9.45518943     11.58337889    -13.88062811
  O     16.72150368      9.80349521    -13.77923792
  H     15.18344206     13.91792546    -14.04868036
  H      9.86014678     12.25242956    -12.55480378
  O     16.33514882     11.63957420    -10.97477486
  H     14.75834109     14.96895461    -15.11722469
  H     16.31694023     15.10581219    -12.94517327
  O      9.38977662     12.40761054    -13.38449124
  H     15.38871350     11.37616330    -16.27221193
  H     17.27270717     14.19072877    -12.18233539
  O     16.72420481     14.97207004    -12.07642703
  H     16.49211134     12.40351014    -16.60246149
  H     14.53402895     13.66089294     -9.42281698
  O     14.55285088     12.73223166     -9.16676435
  H     11.82749591     14.22485766    -13.68838502
  H     15.25571125     12.33466137     -9.70083511
          69
 Energy    -247.93097502115450     
  O     13.63131099     10.18167969    -10.79016841
  H     14.29514517     10.65745616    -11.32131597
  H     13.60500204      6.44096326    -15.46005310
  O     15.31663287      4.98513346    -12.47495174
  H     13.27783588     10.81181368    -10.16773325
  H     17.87857826      5.70911774    -14.71293798
  O     15.32586290     11.43236857    -12.51798712
  H     15.96614913      4.76322770    -11.79286696
  H     18.42082040      7.14694791    -14.59773271
  O     18.09835108     10.70891347    -12.46096405
  H     15.68471846      4.75657048    -13.33795504
  H     15.21519805      8.00959120    -16.27414811
  O     11.17583181      8.04113750    -16.55467420
  H     16.27847050     11.28474539    -12.54425478
  H     16.43668564      8.90635497    -15.92884611
  O     16.34115432      6.91672168     -9.03939874
  H     15.00683313     11.37855632    -13.42743316
  H     15.49040865      6.81413638    -12.74914490
  O     12.23153379      6.70201779    -14.29118913
  H     17.93294840      9.99804427    -11.81536032
  H     14.73462628      8.15543510    -13.00872875
  O     14.13698417     10.79623563    -15.06487227
  H     18.85431062     11.19699976    -12.14570856
  H     13.28398571      6.88354887    -10.59745843
  O     13.88962567      9.41053162    -18.57575923
  H     11.61992437      7.56926238    -17.26976396
  H     13.69611430      8.33171630    -10.22350336
  O     16.24927717      4.71549576    -15.10510600
  H     11.35526390      7.53096104    -15.75465529
  H     17.89962320      5.10237364    -10.90474811
  O     17.57790068      8.83484916    -14.53643214
  H     16.58451343      6.05224802     -9.38704898
  H     17.66232774      3.81979663    -10.06990817
  O     14.30495357      6.36156440    -16.12427691
  H     15.40738329      7.04507178     -9.26666712
  H     13.61558144      5.16139022    -12.03830700
  O     18.64489886      6.22145816    -14.43237006
  H     12.22230105      6.11812715    -13.52457740
  H     12.33194607      4.67400171    -11.32791766
  O     15.61868677      8.87119275    -16.44346751
  H     12.45117581      7.57764461    -13.93161412
  H     16.71002940      8.32766765    -11.60439272
  O     15.60724450      7.75012637    -12.95223678
  H     14.71873476     10.18293216    -15.53668490
  H     17.11367624      8.12532938    -10.13528245
  O     13.75405123      7.41023915     -9.94375139
  H     13.37020485     10.92642666    -15.63793563
  H     18.55974928      7.11201872    -11.43185042
  O     17.21095958      4.53477912    -10.50931921
  H     14.63271462      9.32211616    -17.96152335
  H     18.92086314      6.20361084    -12.63521186
  O     12.69144556      5.39333377    -11.84183091
  H     13.24396062      9.96612178    -18.12242419
  H     13.28147626      7.77465619    -18.65469879
  O     17.38006799      8.57413446    -10.95042665
  H     15.58219520      5.28585105    -15.52271720
  H     12.78023973      6.50130900    -19.37976126
  O     18.91416220      6.24670448    -11.66796198
  H     16.37668394      3.96962401    -15.68668003
  H     11.19795534     11.19292226    -17.03393040
  O     12.93123938      6.87568874    -18.51651852
  H     17.90785759      9.55452356    -13.98742745
  H     11.61402276      9.74582201    -16.68214804
  O     11.95257585     10.64683663    -16.82998559
  H     16.87523564      8.41031360    -14.01580400
  H     13.08253583      9.44219757    -12.36232039
  O     13.08264616      9.02329401    -13.23198726
  H     13.87644145      6.40805321    -16.98886596
  H     13.39235514      9.68152189    -13.86977269
          69
 Ord_Energy   -247.930847    
 O   -4.10952139     -0.847211778       2.34394574    
 H   -3.42158151      -1.12378430       2.96557093    
 H   -3.78321266     -0.925703943       1.43411100    
 O   -5.56447124      -1.85784125       5.93114710    
 H   -6.33779001      -1.93101072       5.36098719    
 H   -5.47250938     -0.924158692       6.16011953    
 O   -3.49036455      -3.50237083      -1.11287105    
 H   -2.97712326      -3.73423958     -0.315554500    
 H   -3.15791821      -4.04655027      -1.82104254    
 O   -2.44389319      0.758645296       5.73009920    
 H   -3.32008290      0.735689998       6.13455248    
 H   -2.35259652       1.64192975       5.35419750    
 O   -2.08846188      -3.94888616       1.12844694    
 H   -2.54517269      -4.32076454       1.89741063    
 H   -1.40685880      -3.35951257       1.46696150    
 O   -2.69815254       1.67482507       2.14374447    
 H   -3.27060390      0.928309441       2.35273504    
 H   -1.95270956       1.29835653       1.65108609    
 O   -7.64173174      -2.12718368       3.99219632    
 H   -8.46351433      -2.60985208       4.01896524    
 H   -7.03268433      -2.63870168       3.42859268    
 O   -5.74324846      -3.23695588       2.41392708    
 H   -5.12843990      -2.49375725       2.39961958    
 H   -5.98104239      -3.41369987       1.48972285    
 O   -2.52944350       3.26318693       4.33619308    
 H   -2.52578211       2.75250649       3.50753784    
 H   -1.92215550       3.98837161       4.21705294    
 O  -0.257754326      -2.07109571       2.32563043    
 H   0.564678371      -2.33108449       2.73343182    
 H  -0.872194588      -1.85577679       3.04814005    
 O   -5.06224728      0.985626161      -1.46056509    
 H   -5.08281088       1.41336799      -2.31218314    
 H   -4.95829725       1.68772185     -0.793512106    
 O  -0.913767755      0.198537514      0.722168148    
 H   -1.64539421     -0.173549607      0.208481595    
 H  -0.549651265     -0.543031275       1.22092056    
 O   -6.76430464       2.81241775       2.50364852    
 H   -6.82487392       1.84074616       2.51841331    
 H   -7.65022993       3.14303660       2.37713647    
 O   -5.28609180       2.92045689       4.92910862    
 H   -5.78990984       2.97626781       4.10894966    
 H   -4.37784004       3.17287636       4.71972132    
 O   -2.14846826      -1.47486520       4.20869207    
 H   -2.48695683      -2.19460964       4.75645113    
 H   -2.16501498     -0.669072151       4.74783707    
 O   -3.36834645      -3.41562748       5.79498577    
 H   -3.18168569      -3.76668429       6.66123867    
 H   -4.18824053      -2.89417958       5.87298155    
 O   -3.29337907     -0.857187331     -0.307312250    
 H   -3.36490703      -1.74023473     -0.692679584    
 H   -3.88293219     -0.266118765     -0.792180717    
 O   -6.22752094      -3.41766453     -0.232868910    
 H   -6.53179455      -2.50453973     -0.349352241    
 H   -5.35398436      -3.47983074     -0.636708617    
 O   -5.15786695      0.837027133       6.64355993    
 H   -5.28562832       1.57524455       6.02181101    
 H   -5.40600872       1.16329861       7.50517082    
 O   -3.57995677      -4.79179049       3.30088258    
 H   -4.42537212      -4.42889881       3.00333619    
 H   -3.46833801      -4.46312952       4.20002842    
 O   -6.71416712       9.73895192E-02   2.53011489    
 H   -5.78495550     -0.174449697       2.49895477    
 H   -7.17176437     -0.560123622       3.06778193    
 O   -6.98861074     -0.733770072     -0.240587085    
 H   -6.41651773     -0.122502707     -0.719942451    
 H   -7.00139666     -0.423515528      0.671938419    
 O   -4.72240877       2.78471184      0.525203407    
 H   -5.43107700       2.91492915       1.16685653    
 H   -3.94409394       2.52349877       1.03425348    
          69
 Ord_Energy   -247.930832    
 O   -3.36713815      -3.17042446       4.47178698    
 H   -2.66453671      -3.36324334       5.11873102    
 H   -3.14749050      -2.33510947       4.06793022    
 O   -8.84694672      -8.31919289       8.73607826    
 H   -9.68884945      -8.59002209       9.09201241    
 H   -9.00488472      -7.49979210       8.23093319    
 O   -3.45165539      -3.44761133       8.55934048    
 H   -4.00503731      -3.18927741       9.30513287    
 H   -4.06023026      -3.59769797       7.82026911    
 O   -3.16104293      -9.76222897       6.77535963    
 H   -3.86448169      -10.2282953       6.30700684    
 H   -3.59279561      -9.26502609       7.48768997    
 O   -7.50728798      -9.39668274       6.42741871    
 H   -7.93828440      -9.19263649       7.26392412    
 H   -7.61493826      -8.60678196       5.87981081    
 O   -4.37486267      -8.08176804       8.56928635    
 H   -3.71688271      -7.41383839       8.81558800    
 H   -5.19075298      -7.85624218       9.03483772    
 O  -0.518683791      -9.15063763       7.44280291    
 H   -1.38609791      -9.53573227       7.24264765    
 H   -7.04137981E-02  -9.78138542       8.00042915    
 O   -5.01100540      -6.69626904       6.24319601    
 H   -4.87890673      -7.18032694       7.06769657    
 H   -4.34134293      -7.01522446       5.62704420    
 O   -6.59957552      -6.98979902       9.76688480    
 H   -7.37488890      -7.52677536       9.56256676    
 H   -6.73101377      -6.13944817       9.32349300    
 O   -7.50324249      -6.92946100       5.09404469    
 H   -6.64819860      -6.83502865       5.54210901    
 H   -7.30300617      -6.86572027       4.15341854    
 O   -4.67693806      -9.10094547       3.18753290    
 H   -5.04551077      -9.69239521       3.85611463    
 H   -5.37211132      -8.48414898       2.93005919    
 O   -4.54448318      -5.73117590       11.2707348    
 H   -5.26087379      -6.28330374       10.9283781    
 H   -3.76499009      -5.94807959       10.7460041    
 O   -6.96640539      -4.43883705       8.57543755    
 H   -6.45546007      -4.20313787       7.78819370    
 H   -6.58756924      -3.92564511       9.29948997    
 O   -2.88861585      -7.81441927       4.75989103    
 H   -2.83093905      -8.47113037       5.46904945    
 H   -3.40946817      -8.25327778       4.06701374    
 O   -5.38811064      -3.22732592       10.6314020    
 H   -5.08428717      -4.08828926       10.9714508    
 H   -5.54119205      -2.66929674       11.3889198    
 O   -1.17881811      -6.57633305       6.71381569    
 H  -0.750092089      -7.39610434       7.00198555    
 H   -1.69887209      -6.82710600       5.94098377    
 O   -5.20628262      -3.97922897       6.46236038    
 H   -4.74201202      -3.57575345       5.72052670    
 H   -5.10933590      -4.93866539       6.35451317    
 O   -5.42119312      -10.7694292       5.40380192    
 H   -6.17431545      -10.3099251       5.81680489    
 H   -5.69138384      -11.6751833       5.27520514    
 O   -2.60849595      -6.05314541       9.11284733    
 H   -2.89907312      -5.14155579       8.96746254    
 H   -2.03005528      -6.26114321       8.36759472    
 O   -8.98987579      -6.01992226       7.31143188    
 H   -8.43632603      -5.34668493       7.72615004    
 H   -8.58556080      -6.22176647       6.45608521    
 O   -6.33259916      -6.82947779       2.53369045    
 H   -5.51994991      -6.32673979       2.72101045    
 H   -6.58403873      -6.61697674       1.63854885    
 O   -1.58617902      -3.77063870       6.42549562    
 H   -1.28834450      -4.68343830       6.52867794    
 H   -2.03052616      -3.53516459       7.25000286    
 O   -3.96880317      -5.60771751       3.18050098    
 H   -3.36451697      -6.23597479       3.58897018    
 H   -3.75682569      -4.74423933       3.55682635    
          69
 Energy    -247.93071690214890     
  O     11.51879571     10.65358866    -15.34636389
  H     12.04877958     11.43351192    -15.14066421
  H     16.14253879     11.66650959    -16.09627542
  O     16.05200360      6.99909576    -12.91925754
  H     11.21459969     10.28250711    -14.50851884
  H     15.96013307      9.72704252    -14.61247986
  O     16.79729453     11.23126556    -11.39091784
  H     15.29093405      6.98540552    -12.32185229
  H     15.46222436      8.46985735    -13.83154497
  O     17.39389889     10.59127079    -15.26707216
  H     16.76879544      7.44901282    -12.45335404
  H     11.08733175      8.36484475    -13.16452947
  O     13.11939470      6.19163641    -15.83405183
  H     16.62577914     11.27000188    -10.44120159
  H      9.76256401      9.08940120    -12.82830094
  O     13.82553018      9.79388503     -8.61188725
  H     15.96161623     11.40349787    -11.84624539
  H     17.52938541      8.25771292     -9.78377369
  O     13.84273767      7.25509964    -11.26669615
  H     17.55043472      9.82858235    -15.84927527
  H     16.95853128      9.21510170     -8.72175442
  O     14.38687073     11.41820030    -12.74594705
  H     18.09805372     10.65577204    -14.61462206
  H     12.35255188      6.53336144    -14.12363083
  O     17.24118461      8.45835244    -16.92363950
  H     12.64330882      5.74041041    -16.52707649
  H     12.59532865      6.79719182    -12.61396427
  O     14.71436598      7.05690855     -8.60648235
  H     13.14285367      7.13389710    -16.07592807
  H     19.77019319     11.55767518    -12.83724916
  O     16.01333733      6.28726333    -15.63820783
  H     13.98868646      8.85062151     -8.49138602
  H     18.32639980     11.19120240    -12.43532689
  O     15.35355218     11.98299927    -16.55826343
  H     13.33126823      9.87683223     -9.43939282
  H     18.63018560      8.98729732    -12.11061795
  O     15.17887733      9.30159082    -14.22977518
  H     13.50915466      8.16354485    -11.25852942
  H     17.31972811      9.44400331    -11.49928778
  O     10.68971547      9.23878772    -12.99532205
  H     14.08772785      7.04795033    -10.35659256
  H     15.33763736     10.64048173     -8.61428738
  O     17.12562247      8.28252480     -8.90724440
  H     14.01748309     12.04610360    -13.37757452
  H     16.32848957     11.60014064     -7.91267986
  O     11.93573776      6.85783871    -13.31701414
  H     14.62026486     10.62833663    -13.26253596
  H     14.35322440      9.37417240    -17.65035762
  O     19.06814256     10.93463199    -13.00847695
  H     16.56960812      8.80825893    -17.52030281
  H     14.61665343      9.59453368    -19.15799006
  O     17.87793533      8.65891164    -11.61147603
  H     16.86392318      7.66013916    -16.52496748
  H     11.95278881      9.70747010    -11.71741603
  O     16.23836897     11.01059723     -8.65643664
  H     14.74773688      6.37607036     -7.94013951
  H     13.29453559     10.47975550    -11.67161179
  O     14.99857228      9.71595768    -18.29257848
  H     15.61639328      7.41455507     -8.69027379
  H     14.06598869     12.55279410    -15.54079669
  O     12.74471919      9.84984410    -11.18445816
  H     15.07243734      6.11536224    -15.75369353
  H     13.16404326     13.74022668    -15.13201544
  O     13.36160732     12.83047033    -14.92659793
  H     16.13583923      6.37423441    -14.68312812
  H     14.02247233      8.99748866    -15.56230550
  O     13.36195699      8.87655827    -16.26192284
  H     15.20844677     11.34583053    -17.26712300
  H     12.62807792      9.47140067    -16.05034282
          69
 Energy    -247.93060181673928     
  O      2.29353162     -0.44656539      6.49480234
  H      3.13650378     -0.37726891      6.02851523
  H      4.77924296      0.01815980      4.14965488
  O     -1.50349745      1.50320009      6.70155094
  H      1.82244450      0.38039994      6.33006389
  H      3.78205913      1.49174635      2.36912554
  O      1.49088429     -4.59247235      2.54146083
  H     -1.62764297      0.60495533      7.05753840
  H      3.55757437      2.55344942      3.46197121
  O     -3.30022664     -2.95742163      6.08001277
  H     -2.07795742      2.07537659      7.20378272
  H      1.50373626      1.96838359      2.72035833
  O      3.46874109     -4.47618803      6.78124322
  H      0.66268930     -4.22081509      2.21899930
  H      0.72407884      0.64329291      2.70638055
  O      4.48056583     -2.76135547      4.95833560
  H      1.34085516     -4.78673328      3.47744317
  H      5.57445240     -0.25161818      1.74740272
  O      2.20695491     -2.49586078      8.38672148
  H     -2.91596366     -2.58259797      5.26901945
  H      4.34844606     -1.05302490      2.22876402
  O     -1.91907371     -0.99076249      7.64826432
  H     -4.22045990     -3.12757472      5.89735698
  H     -1.17565081      1.27210095      3.48242477
  O     -0.35543073     -2.82723310      9.12603139
  H      3.88183028     -3.87874931      6.13137295
  H     -1.89710573      1.17689715      4.83958714
  O     -1.10128576     -4.57693445      6.99643007
  H      4.12392260     -5.13021363      7.00913531
  H      3.93236602      3.51124015      5.89231924
  O      3.29592234     -2.50795468      2.37676755
  H      4.73423165     -1.85120799      5.14804483
  H      2.76643935      2.54197260      5.59628849
  O      4.69201760      0.07757541      5.11097498
  H      4.07216455     -2.74408591      4.08312325
  H      0.81752004     -2.96455846      5.07842012
  O      3.30060604      2.30400498      2.56607272
  H      2.28849700     -1.71507561      7.82214109
  H      1.18110796     -1.52110720      5.55100145
  O      0.66411368      1.56860011      2.98690161
  H      2.66830347     -3.20842393      7.92838942
  H     -1.08433891     -1.91515859      4.45515376
  O      4.79812873     -0.19531269      2.30022184
  H     -1.35118023     -1.53838976      8.20449675
  H     -2.07261592     -0.86725940      3.88897094
  O     -1.96554740      0.91951782      3.91185659
  H     -2.47963237     -1.60940736      7.16589070
  H     -1.41637977     -2.70967771      2.50279397
  O      3.70264618      2.72211579      5.40802551
  H     -0.39068373     -3.01017941     10.06094021
  H     -1.61136020     -3.28509265      1.08312643
  O      0.62369120     -2.02674033      4.94832192
  H      0.58425542     -2.70721867      8.89952138
  H      1.86377312     -4.77396975      5.86946027
  O     -1.94264568     -1.81938117      4.01189235
  H     -1.90578793     -4.15767228      6.67003253
  H      0.29906912     -4.80618035      5.91106146
  O     -0.94810877     -3.08539561      1.73910695
  H     -0.84271050     -4.06192103      7.77153711
  H      0.90973305      1.79519623      4.75754811
  O      1.06808946     -4.73629249      5.32445970
  H      2.86213882     -3.37314938      2.35615935
  H      0.20792887      1.87303780      6.13993479
  O      1.06848667      1.92486509      5.70545427
  H      2.55421630     -1.88793528      2.31302578
  H      0.32348768     -1.66454494      1.91601559
  O      0.93870054     -1.09620069      2.39410422
  H      4.50977165      1.00653997      5.30198986
  H      0.89378716     -1.39323698      3.31871395
          69
 Energy    -247.93047818004743     
  O     13.82022132     11.11035943    -15.83790180
  H     14.55398326     11.72065723    -15.69665256
  H     12.97699781      6.81164606    -14.45993608
  O     17.56307540      5.57073754    -12.48020774
  H     13.51068638     10.90113799    -14.94223138
  H     19.07812743      8.22105895    -14.70274820
  O     19.02042841     10.08481402    -11.95873397
  H     16.63593211      5.31704725    -12.44352630
  H     19.20391247      9.43285183    -13.75345681
  O     17.60498586     10.73309702    -16.32984753
  H     17.70480331      6.26863505    -11.82154531
  H     14.86674575      9.82653064    -16.74764146
  O     14.72210502      4.88907832    -12.50078594
  H     18.21585225     10.61144144    -12.09613348
  H     14.77449481      8.45336816    -17.45366312
  O     14.95672303     11.02465154    -10.09887745
  H     19.67189660     10.67034496    -11.58006839
  H     15.11693109      8.25784477    -12.13933578
  O     14.35733454      7.12266021    -10.86641529
  H     17.01897893     10.13347750    -16.80529890
  H     15.67863466      8.38032603    -13.59496564
  O     13.15085413     10.39806136    -13.30062626
  H     18.20311904     10.18654030    -15.79761958
  H     12.38211380     10.13409338    -16.51649958
  O     13.36121409      7.26945442    -17.45078086
  H     14.46024588      3.97403149    -12.43390405
  H     11.05933240      9.94872709    -17.28531440
  O     15.84634379      8.52584031     -9.07480597
  H     14.29443059      5.24345272    -13.29826519
  H     18.41140520      8.47278257    -11.15802542
  O     16.01708172      7.46379464    -15.07013315
  H     15.54480093     11.26699682    -10.82470803
  H     17.37135939      8.00925590    -10.12129321
  O     13.63365920      6.14426382    -14.70154629
  H     15.33223678     10.23327464     -9.69178877
  H     11.56311264      7.97500775    -12.19232184
  O     19.17630878      9.18048523    -14.68326031
  H     14.47526064      6.27951302    -11.31990294
  H     11.85450677      8.95621437    -11.02790671
  O     15.39812397      9.13750224    -17.16915096
  H     13.42537953      7.37660523    -10.95108472
  H     16.73459455     11.91654754    -15.47599008
  O     15.36967389      8.88259482    -12.82878309
  H     12.79953226     10.69045241    -12.45193110
  H     16.42020399     13.41031626    -15.21992705
  O     11.68612025      9.49224772    -16.72855254
  H     13.95089361      9.88119920    -13.11484116
  H     18.28380776      6.04454301    -13.95433750
  O     18.01129799      7.68740673    -10.76558778
  H     12.68363350      7.93717303    -17.28305469
  H     19.08353682      5.71181838    -15.24048018
  O     11.80853215      8.01977644    -11.26052493
  H     13.36209930      6.69424746    -16.67810916
  H     16.21569322     10.40353777    -12.58157558
  O     16.14800483     12.52625862    -14.98841390
  H     15.28344708      7.96337877     -9.63579011
  H     16.42278158     11.79221615    -13.24090033
  O     18.57843064      6.39813830    -14.81430324
  H     15.76522082      8.19402566     -8.18386386
  H     13.25270605     10.91002246    -10.40661532
  O     16.59149624     11.28791442    -12.43655069
  H     15.92029629      8.05734521    -15.82690616
  H     11.81785289     11.44647797    -10.18580021
  O     12.32292605     10.80715862    -10.68040820
  H     16.90232550      7.08141969    -15.08687696
  H     11.46795294      8.47423759    -15.02985349
  O     11.74624216      8.18732415    -14.15355178
  H     14.47351168      6.60364003    -14.86385452
  H     12.22880465      8.95047210    -13.79993434
          69
 Ord_Energy   -247.930450    
 O   -2.82451797       5.48289204       4.97828913    
 H   -3.24823666       5.77927399       4.15193415    
 H   -3.25501323       5.94543457       5.69221592    
 O   -1.49247062      0.904208362       1.26681411    
 H   -1.05173910       1.40769839       1.96109045    
 H   -1.40541375      -2.91430596E-02   1.51046693    
 O   -3.78658819       6.14689970       2.53233409    
 H   -3.05515313       6.53959894       2.03978229    
 H   -3.92141891       5.26991367       2.14488983    
 O   -1.35189760       4.27309895      0.280481637    
 H   -1.40355527       3.88683796     -0.607028246    
 H   -2.11711550       3.95031929      0.772878766    
 O  -0.235896543       1.91434503       3.60739756    
 H   0.280600190       1.10499108       3.47549033    
 H   0.387805283       2.64973402       3.63681769    
 O   -2.01618910     -0.921612799      -2.14645815    
 H   -2.67820883     -0.246665597      -2.33573341    
 H   -1.21635485     -0.438776255      -1.89357972    
 O    2.29565454      0.927866638      0.470956653    
 H    3.22289824       1.00138068      0.261653066    
 H    1.96757674       1.83560145      0.611355186    
 O   -4.09681320       1.05464995      0.421111554    
 H   -4.44296741      0.181072205      0.650643110    
 H   -3.16655016       1.05066907      0.699299574    
 O   -3.83570647       1.28777289      -2.30139017    
 H   -4.00925064       1.23394489      -1.34612417    
 H   -4.67883492       1.41913056      -2.72718668    
 O   -2.88799107E-02  0.700774789      -1.08462250    
 H   0.874085903      0.670634568     -0.751081586    
 H  -0.579747319      0.831887841     -0.297099173    
 O    1.14161563     -0.325407714       2.81044769    
 H   0.476340353     -0.969484687       2.53633261    
 H    1.56855023      -8.23957007E-03   2.00411701    
 O   -1.33721006       6.83027792       1.21494615    
 H   -1.06768823       7.46121264      0.552952647    
 H   -1.28982735       5.95100117      0.800070465    
 O   -2.47834659      -2.81910992     -0.293990076    
 H   -2.44050574      -3.67808199     -0.705610514    
 H   -2.31695795      -2.16528225     -0.998142481    
 O   -1.47652400       2.90552402      -2.07368612    
 H   -2.30558300       2.45634818      -2.27678347    
 H  -0.841933310       2.20002127      -1.88702595    
 O   -2.75579858       2.76061869       4.24343204    
 H   -2.73229432       3.64763021       4.62176704    
 H   -1.84457552       2.45595622       4.11518764    
 O   -4.64239120      -1.56055808       1.09727538    
 H   -4.36039305      -1.71347094       2.00698638    
 H   -4.01101542      -2.04979992      0.553779721    
 O   -1.20864582      -1.75888360       1.99332428    
 H   -1.53943264      -2.20779276       1.20416534    
 H   -1.90599608      -1.82546222       2.66031218    
 O   -4.45287704      0.602819800       4.36813402    
 H   -3.85503435       1.36607504       4.39861584    
 H   -5.29091501      0.939082146       4.05768061    
 O  -0.316388756       6.10531855       3.76515079    
 H  -0.609702229       6.44240618       2.90891695    
 H   -1.11638427       5.92819595       4.27407885    
 O   -3.43885422      -1.82708657       3.70651245    
 H   -3.76665378     -0.955054283       3.98704410    
 H   -3.63454628      -2.43205428       4.41748810    
 O   -3.67988896       3.48286080       1.69610023    
 H   -3.36991072       3.17834854       2.56082702    
 H   -4.02112055       2.70815229       1.23201907    
 O    1.50263977       4.13205576       3.62217379    
 H    2.24345994       4.32203197       4.19073629    
 H   0.882794499       4.87892818       3.70405340    
 O    1.29668438       3.40970349      0.905118585    
 H    1.45770538       3.73123217       1.80086040    
 H   0.404963046       3.69665122      0.672605336    
          69
 Energy    -247.93037659340661     
  O     11.02677336      8.98738897     -9.04352534
  H     11.70410661      9.21992665     -8.39744459
  H     13.60683966     12.27343656    -13.91695416
  O     13.51025143      9.28837609    -17.06976738
  H     10.85634921      9.78695045     -9.55978850
  H     17.10128918      8.99663378     -9.82904831
  O     11.42438667      7.10462268    -10.94562089
  H     12.68147898      8.83932281    -16.82245821
  H     17.19151466      8.57933411    -11.31977230
  O     14.50863837      8.87984449    -14.46454744
  H     13.77788404      8.92884481    -17.91155553
  H     15.43715052      7.61121080    -11.84922087
  O     13.29276244     12.46256432     -7.94160507
  H     11.21732302      7.73630537    -10.23313896
  H     15.76215602      7.98655302    -13.29502921
  O     12.06121838     11.75375598    -16.66804303
  H     10.94301449      6.30412566    -10.75576219
  H     13.07852264     15.36988123    -11.91942299
  O     11.94223714      8.41297748    -13.42113337
  H     13.66539649      8.65635668    -14.04376073
  H     12.16536023     14.32860762    -11.26006718
  O     15.45723213      9.11037734     -8.54373406
  H     14.31833901      8.99787365    -15.40311753
  H     13.87583830      8.90318247    -10.86257689
  O     13.62906832     10.70938961    -11.08586408
  H     12.68999335     12.96027641     -8.50437598
  H     13.23916794      7.50397072    -10.70654078
  O     13.04721707      9.86479456     -7.17263536
  H     14.14624155     12.43630286     -8.39734126
  H     18.12321707     12.04331789    -11.82655741
  O     10.96924597     11.19694889    -10.77347673
  H     12.36115606     12.18682646    -15.85692727
  H     17.45357333     10.73892178    -11.32959512
  O     12.73887274     12.66547884    -14.08970113
  H     12.67432513     11.02880650    -16.83995321
  H     11.37894020     11.53340597    -13.68797841
  O     17.57306844      9.16862376    -10.64890726
  H     11.49690584      9.27063524    -13.37280816
  H     10.14715761     10.82120275    -14.30360335
  O     16.16849085      7.66747880    -12.48115010
  H     11.72322613      7.92752018    -12.61774592
  H     15.69453968     10.87907819     -9.03579716
  O     12.55008038     14.59679348    -12.10623732
  H     15.04198860      8.58281073     -9.24280910
  H     16.20274667     11.89045687    -10.10242935
  O     14.07677680      7.97691321    -10.65942748
  H     14.73912611      9.29189310     -7.92451087
  H     15.01051101     10.47233765    -13.78983022
  O     17.27575980     11.63767892    -11.66479459
  H     14.02610074     10.93258146    -11.93755207
  H     15.87676072     11.44388513    -12.90181878
  O     10.66153876     10.91097635    -13.49278716
  H     14.19968874     11.10665388    -10.41595908
  H      8.94280953     10.99597648    -16.63651553
  O     15.57742469     11.77930376     -9.37670020
  H     12.87802580      9.81223007     -6.23491334
  H     10.46860873     11.09722146    -16.38877025
  O     15.04617911     11.35119769    -13.38373650
  H     13.08418385     10.81223681     -7.39420504
  H     11.11882264     12.79197145    -10.06367116
  O      9.65234153     10.64355048    -16.10697367
  H     11.92175183     11.01339814    -10.84016477
  H     10.56729539     14.03551412     -9.32668432
  O     11.36002472     13.66563150     -9.70828918
  H     10.62825688     11.11423220    -11.67346972
  H     10.52696896      8.92910698    -16.17992048
  O     11.18347365      8.22240891    -16.13789852
  H     12.63921029     13.39992395    -13.46890444
  H     11.38464679      8.10547575    -15.19927280
          69
 Energy    -247.93036460405040     
  O     12.28097140     11.96722018    -11.73958587
  H     12.95123043     11.64600275    -11.12784255
  H     16.84807354     13.30453638    -15.87569224
  O     21.02417986      8.19390421    -12.28709682
  H     11.82294733     11.18292374    -12.06941350
  H     13.26812988      9.16925104    -15.17987568
  O     17.79482547     11.18600321    -12.19376900
  H     20.91000235      8.49765156    -13.20402223
  H     11.98147092      9.60356240    -14.43466027
  O     13.09058879      8.45074375    -11.12875280
  H     21.95964349      8.23104246    -12.10956356
  H     15.08689272     10.05170026    -13.75782644
  O     16.76295166      7.10729066    -13.27697064
  H     17.61165905     11.82382292    -11.49615781
  H     14.79320971     11.56715922    -13.48366622
  O     15.07538775      6.39134892    -11.12471907
  H     16.93962323     11.04020286    -12.63150959
  H     12.31053641     12.34647581    -16.94860910
  O     13.74717134     13.06559104    -13.78283522
  H     13.60125357      9.15687759    -10.71610098
  H     12.74389380     11.21627874    -15.98311610
  O     17.11023235      9.74369878    -16.29646940
  H     13.67936064      7.69002781    -11.19063496
  H     17.13683468      8.45940440    -10.30225280
  O     18.40654817      8.57663106    -11.60782604
  H     16.15731150      6.69277842    -12.65085250
  H     15.87052849      9.24707132     -9.88807093
  O     15.79070094     12.23250703    -16.75480631
  H     17.37569899      7.63069532    -12.73722229
  H     19.76423768      8.39513699    -15.14960043
  O     18.27744322      7.24808194    -15.61910588
  H     14.98482880      5.59869905    -10.60212971
  H     19.99322622      9.89658610    -14.87253662
  O     17.51125818     13.80278915    -15.36409492
  H     15.53066658      7.04721169    -10.56395205
  H     16.67902279     14.09926357    -13.63479173
  O     12.45231587      9.67933707    -15.27364837
  H     13.38249147     12.85595316    -14.65028518
  H     15.22185974     13.93487490    -13.18027069
  O     15.28038189     10.79317597    -13.17366732
  H     13.11602982     12.78097041    -13.10415750
  H     16.34854768     13.48303462    -11.28375637
  O     12.97708974     12.10348987    -16.31202667
  H     17.68058943     10.31683205    -15.76260636
  H     16.76342716     13.66640957     -9.80557531
  O     16.31339553      8.39690380     -9.79541393
  H     17.53396758      8.87669289    -16.29103607
  H     14.86160462     10.65959336    -11.45321691
  O     20.41447961      9.02870582    -14.82374809
  H     18.27541576      9.51771830    -11.79170660
  H     15.24883246     11.53486786    -10.25714575
  O     16.10586845     14.17180136    -12.86347959
  H     19.34621828      8.38592049    -11.73484330
  H     18.52476845     12.25888910    -15.02726385
  O     16.50513371     13.00894518    -10.44567919
  H     14.83218542     12.16844006    -16.66954403
  H     18.58393754     11.31463820    -13.81641712
  O     14.72491872     10.76026408    -10.49603499
  H     16.13500686     11.33140730    -16.78154061
  H     10.34706884      9.15971834    -12.51772480
  O     18.80487387     11.37571712    -14.75687222
  H     18.39560352      6.39617798    -16.03259526
  H     11.85113232      9.04871563    -12.17029741
  O     11.20603801      9.51361520    -12.73339890
  H     17.76545986      7.09453500    -14.80879751
  H     15.65709921      9.03682995    -15.46415550
  O     15.00874129      8.62745112    -14.87232229
  H     17.77528184     14.54095744    -15.90745358
  H     15.50794931      8.02597725    -14.30542481
          69
 Ord_Energy   -247.930328    
 O  -0.975937188       1.00099587      -1.14717710    
 H   -1.37848663       1.18552577      -2.00001574    
 H   -9.73477513E-02   1.40324116      -1.18799663    
 O   -2.08839560      -4.12067890      -1.02091706    
 H   -1.65708244      -3.28147864     -0.793814421    
 H   -2.74213696      -4.28225660     -0.344543040    
 O   0.291905284      -4.67450333      -7.19955587    
 H   0.331211060      -5.21864796      -7.98151970    
 H    1.04045570      -4.05315685      -7.25311995    
 O    4.58182144     -0.512980342      -4.15991068    
 H    3.95189595      -5.45766996E-03  -4.69460773    
 H    4.23361015     -0.489098668      -3.26231194    
 O    5.90703711E-02  -5.97393179      -1.65888941    
 H  -0.692379653      -5.42605734      -1.40392375    
 H    9.31326002E-02  -5.95017624      -2.62379265    
 O   -1.32269835      -1.47789252      -3.33877444    
 H   -1.62952077      -2.34660745      -3.62781215    
 H   -1.09218669      -1.55108500      -2.40254545    
 O    2.45646167      0.599165022      -5.56331635    
 H    1.87566507       1.28211093      -5.19490099    
 H    2.16898346      0.414722383      -6.46532917    
 O    4.60633230      -2.82941389      -5.60863876    
 H    5.49865198      -3.04559445      -5.86583376    
 H    4.65880156      -2.01112366      -5.08423376    
 O   -1.84155929      -2.92447662      -6.46791697    
 H   -1.15031850      -3.50829220      -6.80644226    
 H   -2.15995598      -3.34862971      -5.66284227    
 O  -0.754944324      -1.70074117     -0.617285430    
 H   0.149518564      -1.86042356     -0.317658693    
 H  -0.887254953     -0.740785658     -0.636383593    
 O   -1.85940886       1.04177427      -4.08612394    
 H   -2.79643464       1.19120646      -4.19067764    
 H   -1.74117982      0.107607223      -3.83386993    
 O   0.725538611       2.27751350      -4.26887226    
 H  -0.183799222       1.95762575      -4.24299002    
 H    1.03145170       2.29326820      -3.35312152    
 O   -2.08925986      -4.06240749      -3.86871386    
 H   -2.26044607      -4.18441582      -2.92717195    
 H   -1.25660467      -4.52198792      -4.05957174    
 O    2.63981080      -3.86988568      -3.87986898    
 H    2.15353131      -3.03098702      -3.91915560    
 H    3.41231680      -3.73824668      -4.43935204    
 O   0.326513559      -5.30567837      -4.45493984    
 H    1.16331720      -4.87824059      -4.22160959    
 H   0.277478069      -5.25137997      -5.41770744    
 O    1.90220165      -2.16911745      0.194130495    
 H    2.21253753      -2.26992273       1.08956683    
 H    2.07780695      -3.01417232     -0.262640953    
 O    2.80227566     -0.443431705      -1.83783007    
 H    2.28455949     -0.806145191      -2.57347465    
 H    2.61855674      -1.00841367      -1.07748222    
 O    1.63023233       2.01222467      -1.56932676    
 H    2.20764923       2.62940502      -1.12739146    
 H    2.11734247       1.17408597      -1.64569783    
 O    2.30887103      -4.41954660      -1.15783918    
 H    1.57235003      -5.04456568      -1.21179628    
 H    2.58203840      -4.25942469      -2.07053065    
 O    1.37825108      -1.44559085      -3.98003125    
 H    1.66061974     -0.784546375      -4.62530804    
 H   0.417520553      -1.42472053      -3.91136074    
 O    1.36505151     -0.268858373      -7.97540283    
 H    1.25603235      0.117159322      -8.84003258    
 H   0.485890478     -0.270302743      -7.55317974    
 O  -0.996373653     -0.309269667      -6.68401909    
 H   -1.31363463      0.202170223      -5.93842649    
 H   -1.35804772      -1.20563507      -6.59412909    
 O    2.31582165      -2.88787889      -7.36213970    
 H    2.06284881      -1.98820531      -7.60229540    
 H    3.10477424      -2.82612491      -6.81173086    
          69
 Energy    -247.93029043664788     
  O     -2.73897798     -2.98481652      2.68100646
  H     -2.81290217     -3.74925603      2.09671155
  H      3.36220075     -3.01696539     -5.57176495
  O      1.03018037     -1.32537935     -2.13035785
  H     -3.03337540     -2.22759718      2.16137979
  H      2.74351379     -3.77808885      1.89355671
  O     -2.86639770     -5.08471013      0.73969323
  H      1.89478780     -1.74131238     -2.25957396
  H      3.73381372     -2.62593532      1.66476606
  O      1.08726534      2.08416143      0.92946030
  H      0.36197304     -2.01395498     -2.24697395
  H      1.54416509     -4.47050401     -4.41678355
  O      2.33179913      1.23940586      3.20191070
  H     -3.24417749     -5.95934053      0.77625406
  H      0.56117881     -5.60326974     -4.79306070
  O      3.34640252     -0.79254134      1.55283613
  H     -1.92965095     -5.19342422      0.49817304
  H      2.59683305     -5.60998506     -1.32522255
  O      4.19953947     -0.13833005     -1.04436457
  H      0.21985359      1.66413848      1.02213507
  H      1.53617792     -5.77593659     -2.44097056
  O     -3.50807517     -0.92007660      0.84044816
  H      1.38024767      1.88360435      0.03337786
  H     -0.94067915      0.33309998      2.32927085
  O     -0.66021756     -3.50811338     -2.21519025
  H      1.92603277      1.60952631      2.39616043
  H     -1.98426476      0.05993832      1.19151051
  O      4.13930782     -4.64200032     -0.82348576
  H      2.67657116      1.97831155      3.69617264
  H     -0.19288002     -0.93372264      4.11832307
  O      3.58780076     -2.41293054     -2.41682546
  H      2.46390877     -0.99915071      1.20854522
  H      0.71565390      0.29772643      3.81775217
  O      2.88517854     -3.43134847     -4.85793515
  H      3.19968390     -0.11689638      2.22475234
  H     -0.81693147     -3.15914535      5.17812131
  O      3.64290061     -3.58553109      1.59640131
  H      4.05169800     -0.32283178     -0.10628034
  H     -1.39872535     -2.85940871      3.77563437
  O      0.82208382     -5.02747282     -4.07873907
  H      3.52397266      0.50445344     -1.29046499
  H     -2.36276523     -2.97480333     -1.57994022
  O      1.76326539     -6.04592059     -1.54346168
  H     -3.37915480     -1.54958105      0.10885077
  H     -3.19196130     -3.65921202     -0.48246005
  O     -1.12426206      0.45041898      1.38236062
  H     -4.39044390     -0.56999682      0.74869565
  H      1.43329044      0.42861202     -1.93872148
  O     -0.20025515      0.00633095      3.90223219
  H     -0.49884416     -4.00274878     -1.39859661
  H      1.61437094      1.85327668     -2.50279102
  O     -0.59183524     -2.80771302      4.32082633
  H     -0.26997394     -4.02783403     -2.92910044
  H      0.17799000     -4.70382609      0.82692001
  O     -3.14021442     -2.85804240     -1.01988322
  H      3.98281978     -4.28659918      0.07040426
  H      0.45857407     -5.58086263     -0.43802002
  O      1.80481204      1.30501931     -1.74512265
  H      4.97954607     -5.09239855     -0.79492143
  H      0.11448193     -0.77797021      0.88593539
  O     -0.23672806     -5.13097461      0.06377258
  H      3.80264969     -3.17602134     -1.86513265
  H      0.85818994     -1.41383536     -0.32565162
  O      0.78704080     -1.42527834      0.63602994
  H      3.93703489     -1.62150537     -1.97925887
  H      0.46651334     -3.50767975      2.96358148
  O      0.89448223     -3.70983862      2.12381001
  H      3.21654330     -3.02476239     -4.04009245
  H      0.83331425     -2.90126291      1.58856581
          69
 Ord_Energy   -247.929855    
 O   -3.75571513       1.61795807       5.48631001    
 H   -3.95432138       2.04530621       6.31522083    
 H   -3.34415793      0.762192786       5.70124769    
 O   -8.90962183E-02   2.71491337       1.41762531    
 H  -0.542323053       2.25739670      0.700684309    
 H  -0.690202773       2.64003801       2.17100263    
 O   0.965347826      -2.69259977       1.72223723    
 H   0.839906514      -2.10273123      0.968952417    
 H   0.372142434      -2.37900281       2.41772294    
 O   0.695312142      -3.90670848       5.29891920    
 H   0.177949697      -4.12274647       6.08574200    
 H    1.52307153      -3.48760653       5.56660891    
 O   -4.58751774      -2.29565573       4.53015900    
 H   -4.07884169      -2.45047259       3.72136497    
 H   -4.00464010      -1.78410542       5.11149788    
 O   -2.42506957      -5.42304850       2.71132517    
 H   -1.45100319      -5.41194248       2.72971797    
 H   -2.68518972      -6.22954988       2.27495289    
 O   -1.54087877      0.884352624     -0.359906226    
 H   -2.16118407      0.576908886      0.323510408    
 H   -2.07324147       1.20613146      -1.08346200    
 O  -0.644946933      -1.88267255       3.96732664    
 H  -0.215073645      -2.56844926       4.49839258    
 H  -0.185187638      -1.04212177       4.10887051    
 O   -2.75566745      -2.65274167       2.38441396    
 H   -2.01579022      -2.40055609       2.95856190    
 H   -2.72360015      -3.61489177       2.32042456    
 O   -1.86129129       1.81522107       3.43877411    
 H   -2.25397229       1.16804111       2.83730316    
 H   -2.50102806       1.94646490       4.14914942    
 O   0.454905719      0.584538877       4.33801317    
 H  -0.341304570       1.09226036       4.12797689    
 H    1.05330122      0.686400175       3.58650661    
 O    3.02513504      -2.41131854       5.72637177    
 H    3.10738707      -2.05139971       4.82538652    
 H    3.91046524      -2.58785653       6.03316021    
 O   0.259856999      -5.17699432       2.84444714    
 H   0.482643545      -4.89524603       3.74293685    
 H   0.597923815      -4.47835398       2.26980162    
 O   -5.23476887      0.291979939       3.40019965    
 H   -4.91399670      0.861059904       4.11057329    
 H   -5.27372265     -0.595127106       3.77961302    
 O   -2.60761452     -0.837743282       5.85266924    
 H   -1.97952747      -1.14702606       5.19180679    
 H   -2.22009873      -1.07331192       6.71011496    
 O   -3.13483191      -1.07763195E-02   1.66294622    
 H   -3.95688081      0.187716097       2.13616538    
 H   -2.98885036     -0.960342109       1.77466226    
 O   -1.19558704      -1.64575899       7.99237299    
 H   -1.14183319      -2.60203505       7.88356829    
 H  -0.348073453      -1.27971733       7.69301844    
 O   -3.08422112      -4.60680962       5.38515854    
 H   -2.87768936      -4.97882509       4.51923704    
 H   -3.74122763      -3.91954780       5.22555208    
 O    3.07807302      -1.47940946       3.16874456    
 H    2.94098473     -0.583381653       2.84213376    
 H    2.49240518      -2.03257108       2.63480568    
 O    1.10240316     -0.598347068       6.83965826    
 H    1.83080173      -1.17009306       6.57195997    
 H   0.919354498      -4.12440896E-02   6.07245636    
 O    1.90660608      0.866334140       1.95338404    
 H    1.65410483      0.278848827       1.23139322    
 H    1.37415886       1.66310930       1.80623662    
 O   -1.16057885      -4.44331455       7.29819536    
 H   -1.88562155      -4.51431274       6.65105867    
 H   -1.29346001      -5.13988018       7.93573999    
 O   0.763887882     -0.673714340     -0.222868934    
 H   -5.30883409E-02 -0.158527985     -0.310015082    
 H    1.17929327     -0.675951481      -1.08277273    
          69
 Ord_Energy   -247.929672    
 O   -4.23792315      -2.74780679      0.131159469    
 H   -4.69315958      -3.52193046     -0.188956141    
 H   -3.31391406      -3.01363420      0.287498385    
 O  -0.306982100      -1.32602680     -0.869067729    
 H  -0.697994888     -0.718049884     -0.222764283    
 H   0.643877804      -1.16893303     -0.869520724    
 O   -1.67805672       1.16622603       5.28472853    
 H   -1.79390156      0.869408071       6.18511772    
 H  -0.756084025       1.45716679       5.20824003    
 O   -1.59145105       3.04804111       1.50935256    
 H   -2.22071362       3.04564166       2.24872160    
 H   -2.00296116       3.51268148      0.773827910    
 O  -0.220429853      -2.62679672       2.88107300    
 H   0.434532791      -2.02017093       2.50745559    
 H  -0.980377555      -2.07356596       3.11936450    
 O   0.914946437      -2.89121199       5.41099453    
 H    1.14086163      -3.79274797       5.62644482    
 H   0.485322446      -2.92671204       4.54116201    
 O    2.40946054     -0.580163836     -0.686536551    
 H    3.19892168     -0.676689029      -1.21080303    
 H    2.14989519      0.359098196     -0.728874326    
 O   -1.62803316      -3.36278057      0.508039653    
 H   -1.13477135      -2.78675866      -9.26147774E-02
 H   -1.16177702      -3.30473709       1.35037971    
 O   -2.21555567     -0.793067336       3.31069112    
 H   -2.06089139     -0.381754845       2.44528389    
 H   -2.02379227     -0.135317624       3.98820662    
 O   -4.82376623       2.25210381      -7.01781288E-02
 H   -5.12354612       2.06034398      0.825462580    
 H   -4.63829660       1.39183235     -0.475599557    
 O   -1.83431709      0.334559977      0.819206119    
 H   -2.61239552      0.204687804      0.259845138    
 H   -1.75855458       1.27996838      0.996023059    
 O   -2.92262697       3.98746085     -0.792929232    
 H   -3.31281018       4.84742355     -0.922152102    
 H   -3.65032053       3.38097668     -0.557889760    
 O    1.58485520     -0.642329216       2.00629973    
 H    1.24298644      0.262492746       2.03121328    
 H    2.00471210     -0.745702982       1.14467764    
 O    2.15784097     -0.482481152       4.75817347    
 H    1.79503012      -1.30028689       5.12518740    
 H    2.14531708     -0.599968970       3.79873967    
 O  -0.844044805       2.69103408      -2.13882017    
 H  -0.612310231       3.21576929      -2.90335226    
 H   -1.57892621       3.15119267      -1.70537233    
 O   -1.85866189       3.96327600E-02  -2.75245643    
 H   -1.51532543      0.930810392      -2.61921024    
 H   -1.26221097     -0.539717972      -2.25678658    
 O   0.867668271       2.08829880       2.18398595    
 H    1.25883697E-02   2.49730539       1.97973239    
 H   0.982077122       2.15678239       3.13803482    
 O   0.994253516       1.90751767       5.03765106    
 H    1.44652116       1.04302907       5.00926828    
 H    1.53773534       2.48942780       5.56193781    
 O   -3.94077969     -0.178449765     -0.981639862    
 H   -4.10300398      -1.09289968     -0.721158147    
 H   -3.31200480     -0.169430315      -1.71940541    
 O   -4.83340597      -1.18553782       2.45672965    
 H   -3.95933795      -1.15824020       2.87119770    
 H   -4.73929214      -1.75589287       1.68538523    
 O   -5.56573153       1.41886687       2.55868697    
 H   -5.34723568      0.471525788       2.50433874    
 H   -6.45900011       1.47303975       2.88848305    
 O    1.48525929       1.95209324     -0.589362144    
 H    1.34457207       2.13655472      0.348524928    
 H   0.680709183       2.20955825      -1.05424464    
 O   -3.31054211       2.80032730       3.58345318    
 H   -2.86463046       2.27077270       4.25487900    
 H   -4.10237312       2.31579423       3.31538248    
          69
 Energy    -247.92966333278571     
  O     15.75466139      9.32359862    -16.46786316
  H     16.07191099      9.69106778    -15.63317688
  H     19.07718409      3.79669394    -15.12491111
  O     14.07412608      3.29644518    -16.27597686
  H     14.89033193      8.93674624    -16.28764432
  H     17.24947629      6.36845881    -15.94575646
  O     17.66191808      5.87375301    -11.77807351
  H     14.82547141      2.77767269    -16.58697579
  H     16.48206162      6.40891936    -14.60188677
  O     18.40456199      4.06425624    -18.01225422
  H     14.13045536      4.13611273    -16.75018870
  H     12.38275273      8.34430008    -16.15487274
  O     13.13296617      6.83708202    -10.68773973
  H     18.49899733      5.90635339    -12.25575605
  H     13.20521892      7.60733304    -15.07565132
  O     13.91091832      4.16057654    -13.65917925
  H     17.07971911      6.50571871    -12.22973679
  H     14.02139345      3.37460564    -10.20584295
  O     16.02753253      7.50604317    -13.20733270
  H     17.88219280      4.70868191    -18.50278792
  H     14.69817455      2.46731933     -9.14828127
  O     17.34770107      3.22498986    -14.69501368
  H     17.79456652      3.34536735    -17.80800153
  H     15.34745614      5.79223483    -16.55435009
  O     12.67312012      4.01563186    -11.13104477
  H     12.75038607      7.39087238    -10.01237087
  H     14.09135830      6.58839529    -16.96292792
  O     19.10886305      8.52834925    -14.79990334
  H     14.02247792      6.59173055    -10.37597705
  H     19.90371579      5.52595305    -14.25151825
  O     16.55961668      2.04277801    -17.00324132
  H     13.92249233      3.77927655    -14.54858864
  H     20.85586991      6.09966102    -13.18281455
  O     19.73926267      4.36520885    -15.54151549
  H     14.74721217      3.93724846    -13.23090311
  H     15.87356349      3.23853904    -11.36564661
  O     16.69110966      5.84382136    -15.35590694
  H     15.07057079      7.39978455    -13.26655445
  H     16.78763603      4.30295368    -12.03195566
  O     13.24445959      7.97657332    -15.97337528
  H     16.26017664      8.42043376    -13.41198791
  H     15.40940123      4.99849139     -9.65281389
  O     14.87139119      3.15754838     -9.78198118
  H     17.12860227      4.13237562    -14.96499051
  H     16.37980859      5.99279301    -10.31926419
  O     14.67479670      5.87699661    -17.24967193
  H     17.02674648      3.12377665    -13.79092953
  H     15.89265173      5.98081923    -18.59940643
  O     19.95154857      6.12732806    -13.48684666
  H     12.64360430      4.96000362    -10.93614557
  H     16.36409989      6.17096489    -20.05877616
  O     16.26522137      3.50534168    -12.20474151
  H     12.93063453      3.95066399    -12.06154019
  H     13.14091002      6.94733132    -12.53222125
  O     15.56040560      5.93903108     -9.81313657
  H     18.86954043      8.24011712    -15.69203857
  H     13.51375994      5.89397256    -13.61009907
  O     16.67830864      6.04701657    -19.16690282
  H     19.42150815      7.74500169    -14.33241412
  H     17.25446832     10.81585633    -13.59491945
  O     13.34199435      6.83939532    -13.47073161
  H     16.77174853      1.11353632    -17.04771255
  H     17.81876777      9.52850672    -14.24832552
  O     16.99706041      9.98682053    -13.98737857
  H     16.86584014      2.35703038    -16.13344178
  H     17.65112361      7.19680980    -17.95984520
  O     17.84906654      7.66659748    -17.14309787
  H     19.47164622      4.38565926    -16.47007130
  H     17.10989890      8.28015672    -16.99543140
          69
 Energy    -247.92949955108648     
  O     -2.57855331      4.54691464      2.69143454
  H     -2.60045409      4.34121604      1.75161698
  H     -1.80446974      2.68740975     -1.11694107
  O      0.82046294      1.71367549      0.26485597
  H     -1.95164304      3.93087029      3.09700744
  H     -4.99411255      5.31590624      4.60689519
  O     -1.40454803      0.02033773      3.34441203
  H      0.23837259      1.93694898     -0.46884091
  H     -3.99581253      4.58919732      3.67036370
  O     -4.67681518     -0.09688366     -0.03993155
  H      0.59959049      0.80384147      0.50575690
  H     -2.88528258      2.58781031      0.81612863
  O     -2.41061085     -3.21033001     -0.72716011
  H     -1.88352066     -0.71221850      3.74977196
  H     -3.88073614      3.23828622     -0.14196123
  O     -0.22820680     -0.78974714      0.99376524
  H     -2.08677132      0.53145800      2.87594176
  H     -5.63592464      3.21029578      3.18453912
  O     -4.41130859     -0.04277881      5.96658252
  H     -5.06425058      0.75566408     -0.27199032
  H     -6.13502023      1.72247938      3.03789420
  O     -6.28716060      0.14851506      3.81219303
  H     -3.83415027     -0.19444145     -0.50864153
  H     -6.51242121      2.91384536     -0.56464941
  O     -2.10706601     -0.36744932     -1.01049174
  H     -1.59017831     -3.38985792     -0.24948806
  H     -5.83918480      2.59458645      0.79034315
  O     -5.16140953     -1.82179497      2.07917796
  H     -2.35573634     -2.29030834     -1.01034468
  H     -3.89623938     -1.81935606      3.44944862
  O     -2.16521259     -4.09704725      2.85585973
  H     -0.08398524     -1.74298002      1.02216125
  H     -3.62909247     -1.34616537      4.89735280
  O     -1.21283064      2.22482785     -1.73440789
  H     -0.56394144     -0.52639987      1.86328073
  H      1.13857002      2.76150658      1.66465208
  O     -4.77942234      4.46377833      4.23811675
  H     -3.97583294      0.81748206      5.82854184
  H      2.16426206      3.60205685      2.44279270
  O     -2.95228948      3.26083073      0.12064498
  H     -4.59643498     -0.10829951      6.89966530
  H     -0.08636121      2.96808000      3.58399596
  O     -5.86222984      2.51734614      2.55224763
  H     -5.74008707      0.06610572      4.60314350
  H     -0.94813836      1.72529892      3.88141032
  O     -5.70721214      2.58358556     -0.17511527
  H     -6.04996125     -0.59569252      3.24410528
  H     -3.84609114      3.10620742      5.21734172
  O     -3.26553196     -1.88261550      4.18156136
  H     -1.47848192     -0.52237516     -0.28846603
  H     -2.41899741      2.52720865      5.13738118
  O      1.26060155      3.29958164      2.46484979
  H     -1.81402593      0.44396001     -1.44095549
  H     -3.68503241     -3.87615065      0.28408046
  O     -0.89965844      2.68041582      4.02515868
  H     -5.00512518     -2.71646508      1.75182422
  H     -4.73296488     -4.98671624      0.53443820
  O     -3.29096482      2.38152822      5.52682010
  H     -5.07702769     -1.24596208      1.30595580
  H     -0.84356007     -3.78993935      1.76557270
  O     -4.29807712     -4.24458633      0.94550696
  H     -2.92662231     -4.29395539      2.29583385
  H      0.48344127     -4.24879752      1.11316815
  O     -0.20277983     -3.58950736      1.05933798
  H     -2.45978255     -3.40508329      3.46296546
  H     -3.75109933      0.68571434      1.33896788
  O     -3.37644841      1.27890749      2.00322761
  H     -1.09384257      2.79891272     -2.48667250
  H     -4.12802685      1.73044694      2.40591037
          69
 Energy    -247.92948930029868     
  O     -7.88625280     -3.31605216      5.48965311
  H     -7.20223512     -2.87101248      6.00068720
  H     -4.14493022      0.79463909      2.58370925
  O     -8.90769617     -2.42516702      2.12652300
  H     -8.67414536     -2.75241381      5.51085527
  H     -6.35818505     -1.31840308      3.21478919
  O     -7.41408853     -4.55054838      3.16406956
  H     -8.39456412     -1.77531589      2.63205264
  H     -7.06310846     -0.37636214      4.24835096
  O     -5.06482335      0.93490035      0.96969670
  H     -8.53185020     -3.28316246      2.35595088
  H     -5.31290217     -2.14421313      7.59706295
  O     -7.03952034      0.43519742      5.92667535
  H     -7.47320242     -5.49525946      3.27064891
  H     -5.07762147     -1.81460642      6.10191118
  O     -5.02404120      5.16092206      1.96838453
  H     -7.58202584     -4.15456585      4.04170350
  H     -0.82735418      2.98786582      3.15147418
  O    -10.11686015     -1.64660646      5.38551149
  H     -5.06097075      0.05915110      0.56438540
  H     -2.27317467      3.44048023      3.47306691
  O     -4.01935151     -1.64889544      4.74916412
  H     -5.99053208      1.18428851      1.08554640
  H    -10.76872327      0.34020731      2.72278916
  O     -3.50157542      3.27374137      0.73149961
  H     -6.61210082     -0.30263274      6.37874486
  H    -10.07178918      1.26568669      3.72851865
  O    -11.38715357     -1.49274199      2.79821560
  H     -6.37695362      1.12276860      5.76277038
  H     -5.27716566     -2.51586562      1.63840953
  O     -5.37001959     -1.69905649     -0.05828739
  H     -5.08358727      5.96315812      1.45693604
  H     -5.95913164     -3.47013309      2.67589268
  O     -3.63325782      0.78170169      3.40370769
  H     -4.49254460      4.53313318      1.44769722
  H     -8.05454955     -0.14751381      0.24457087
  O     -7.08069951     -0.69107761      3.33723859
  H    -10.02140531     -0.70545961      5.57472370
  H     -8.41083318     -1.61367182      0.52261487
  O     -5.75714868     -1.87241579      6.79872268
  H    -10.67378770     -1.68403874      4.59953429
  H     -9.88329339      1.86347784      6.19487895
  O     -1.74216738      2.81137440      2.95131186
  H     -3.78018631     -0.79584333      4.36341601
  H     -8.70514307      0.96901323      5.75345139
  O    -10.26851383      1.16205232      2.78819755
  H     -4.31243078     -2.19164389      4.00441237
  H     -4.01353700      4.82722719      3.58629005
  O     -5.30200161     -2.77009058      2.56911411
  H     -2.78288251      3.10261611      1.35293076
  H     -4.06523207      3.82927528      4.75881505
  O     -7.99247169     -1.03459188     -0.12956863
  H     -4.01232619      2.45457116      0.68152952
  H     -5.89199466      2.75404547      4.47172060
  O     -9.64222498      1.16824944      5.58771172
  H    -10.56419607     -1.89983601      2.47745763
  H     -4.68529520      1.77230179      4.54344477
  O     -3.47556046      4.42698591      4.28130719
  H    -12.10453918     -1.92458905      2.34189573
  H     -8.74842091      1.36813470      1.86668667
  O     -5.26096567      2.33431004      5.08110373
  H     -5.04441961     -2.01593160     -0.89673280
  H     -7.47278876      0.59231425      2.21331683
  O     -7.81996063      1.26670113      1.60447406
  H     -6.31896650     -1.51101948     -0.17412886
  H     -7.28533749      2.83978049      2.59732489
  O     -6.90671281      3.46172753      3.22788624
  H     -2.87587309      1.36516141      3.26779816
  H     -6.37529376      4.09048577      2.72212122
          69
 Energy    -247.92945494519984     
  O     11.00386074      9.28630259    -13.16158550
  H     11.66458682      9.80188206    -13.64342906
  H     16.60005775      4.57231278    -16.75951563
  O     14.25863898      6.06135360    -14.60263086
  H     11.43184822      8.97778156    -12.35264832
  H     18.11847704      5.97154204    -13.66738031
  O     16.57248284     11.31319064    -11.13822340
  H     14.92512146      5.67799596    -15.18576414
  H     18.43358770      7.06774175    -14.70639585
  O     16.89807188      9.97819739    -17.15309819
  H     13.72115631      6.67211026    -15.12744809
  H     15.65236435     11.19875227    -16.54264661
  O     12.83176519      7.96737121    -15.99797264
  H     16.37983486     12.24229901    -11.04388567
  H     15.03055582     12.59791823    -16.67104904
  O     14.33722880      7.82215127     -8.85520886
  H     15.78268169     10.90117659    -11.52943682
  H     15.29922350      7.30067786    -13.79282934
  O     12.90667683      5.72444170    -12.23098232
  H     16.32561131      9.19902540    -17.28142429
  H     16.43522484      7.34150198    -12.74227717
  O     14.50303760      9.90659231    -12.19647549
  H     17.44311030     10.04767606    -17.93266443
  H     13.07754169      8.14738869    -10.20263460
  O     15.31589805      7.81591610    -17.39969625
  H     11.91559933      7.72557833    -15.82036996
  H     12.69220146      7.37490293    -11.48010283
  O     15.15295997      5.59525720    -10.51443839
  H     12.98516018      8.80746215    -15.53917028
  H     19.02500011      8.64996766    -11.04798132
  O     18.00267302      8.95444220    -14.72450912
  H     15.16536287      8.31873899     -8.98067149
  H     19.88005194      7.87493312    -10.01514505
  O     16.35959675      5.37889602    -16.31195917
  H     14.20821644      7.74195419     -7.91372312
  H     10.27092057      5.96338382    -13.90303283
  O     18.33048002      6.11314287    -14.60019589
  H     12.01300783      5.45112417    -12.47691063
  H      9.49358405      5.03614919    -12.95673429
  O     14.93780527     11.76478165    -16.21535686
  H     13.41046239      5.76095959    -13.05686992
  H     18.64899952      9.66807739    -13.13092241
  O     15.88615986      7.89768513    -13.31278075
  H     15.05914981      9.21136863    -12.58621915
  H     18.10893834     10.48881343    -11.93034238
  O     12.61044399      8.23623671    -11.04345432
  H     13.80605317      9.43976340    -11.71790159
  H     16.70647927      5.83557069    -11.36472132
  O     18.99978109      7.94588613    -10.37389242
  H     15.68009716      6.97118569    -17.10736201
  H     18.03470858      6.65953012    -11.30654358
  O     10.37457575      5.25311972    -13.25287454
  H     14.41122651      7.86140755    -17.06588612
  H     16.64984033      9.95249833     -9.79514941
  O     18.83153275      9.91556052    -12.21472710
  H     14.36999454      5.48171459    -11.06937183
  H     17.46536588      8.67627751     -9.52571413
  O     17.46430852      6.14112827    -11.88785907
  H     14.91618515      6.28155906     -9.88021191
  H     13.72957770     10.91550885    -15.18658900
  O     16.66465377      9.14718393     -9.26451112
  H     17.19840875      8.63107582    -14.28770782
  H     13.69785525     10.27756026    -13.77569136
  O     13.20453867     10.34910959    -14.60487894
  H     17.71801831      9.37072630    -15.54476371
  H     10.41678612      8.13123776    -14.30022469
  O     10.19464409      7.47852128    -14.99069594
  H     17.09942114      5.60286090    -15.71939542
  H      9.42322777      7.80989727    -15.44334980
          69
 Energy    -247.92944413417550     
  O     -5.68537321      0.86304673     -1.25511559
  H     -4.73860871      1.01827112     -1.42571076
  H     -5.96126719      0.02764571      0.49068155
  O     -1.71223535      2.86096316      6.98338767
  H     -6.04712728      0.48661626     -2.05270493
  H     -1.14286420      3.79396656      1.28454195
  O     -8.04716955      3.64448428      1.93828847
  H     -1.00598154      3.15243582      7.55415623
  H     -1.02774943      3.67632396     -0.24698836
  O     -2.17701457      4.15044088     -1.64846954
  H     -1.35227736      2.88276993      6.08176572
  H     -6.88997128      4.77847802      2.98841529
  O     -1.09965969      0.62783436      0.18177053
  H     -7.35538801      3.49801884      1.26988419
  H     -5.84929612      4.41479390      4.05163039
  O     -4.11206639      2.50878774      2.26341058
  H     -8.84424252      3.86717764      1.46447981
  H     -2.55043726      0.10230821      1.18447738
  O     -5.37267941      2.74282310      4.69973186
  H     -2.90229818      4.61147618     -1.18955198
  H     -2.65039509     -0.11160063      2.70411603
  O     -5.92422025      3.17197782      0.28640803
  H     -1.96956886      4.66699543     -2.42255791
  H     -4.55688711      1.84851842      7.94254611
  O     -3.63644742     -0.57795455      5.57814995
  H     -0.93757125      1.57050218      0.33805769
  H     -3.30751640      2.16342961      7.08275794
  O     -4.23274929      5.31862744     -0.33715556
  H     -0.46158537      0.15150704      0.72622478
  H     -2.72300689      5.25035182      2.55726726
  O     -3.06939127      1.42885021     -1.66255975
  H     -3.82678299      1.59815885      2.12082514
  H     -2.89781342      3.72567552      2.42647310
  O     -5.94013662     -0.27366398      1.40606995
  H     -4.53293324      2.55932033      3.13401429
  H     -6.82491340      0.68767556      2.69820820
  O     -0.64120633      3.36035384      0.57923078
  H     -5.03022509      2.40923188      5.53383953
  H     -7.64974016      1.97922539      2.91671470
  O     -6.14455199      5.13899483      3.48261611
  H     -6.06914956      2.14424116      4.37983981
  H     -1.29465487      1.02470366      4.22435275
  O     -3.17856772     -0.07983767      1.89634333
  H     -5.93997383      2.42315214     -0.32228033
  H     -2.11552182     -0.21854221      4.69735500
  O     -4.18465300      1.74129932      7.07106589
  H     -5.29322427      2.94422590      0.98795539
  H     -0.02401238      2.69379413      3.87887751
  O     -2.23926174      4.41889881      2.60091454
  H     -4.45725155     -0.87782685      5.19070609
  H     -1.36935323      3.45387540      3.87382037
  O     -7.20999685      1.25733551      3.38093945
  H     -3.86961138      0.16659427      6.15108197
  H     -0.12513039     -0.37081173      2.93519507
  O     -1.43026641      0.07804002      4.08163768
  H     -4.90658609      4.63736271     -0.20749919
  H      1.02971673     -1.25329938      2.40934902
  O     -0.84101896      2.82339764      4.38237335
  H     -4.17731697      5.79827761      0.49734902
  H      0.73455008      2.75179754      1.79348731
  O      0.53868254     -0.45578834      2.22944071
  H     -2.36457141      1.00407861     -1.15769148
  H      1.14081784      1.39418067      2.39973388
  O      1.16493414      2.34550923      2.55771087
  H     -2.80914444      2.35462819     -1.74352052
  H     -4.18136543      7.41073232      2.51878249
  O     -4.12061434      6.49022564      2.27862677
  H     -5.00077954     -0.38252744      1.60635552
  H     -4.86253561      6.03804537      2.71958765
          69
 Energy    -247.92944115259320     
  O     19.00198172      9.45053419    -12.42651112
  H     18.98381834     10.33423028    -12.03291912
  H     20.12966119     13.55019984    -14.86814124
  O     15.37176840     16.21157845    -13.21311923
  H     19.52532905      9.52885482    -13.23089815
  H     13.71248405     11.49237661    -13.69649692
  O     20.74953595     12.63379806    -13.46980373
  H     15.07216698     17.11610379    -13.18126459
  H     14.33127499     11.55429221    -12.27265763
  O     17.42565631     11.66638554    -18.67943934
  H     14.69875615     15.70644685    -13.70628132
  H     18.18649049     12.32175335    -10.81136588
  O     19.42112806     11.31502059    -16.78274876
  H     20.14481622     12.55787146    -12.71991321
  H     18.03395081     12.16348461    -12.33106336
  O     15.12263803     10.68699614    -10.98749374
  H     20.88613224     11.73297151    -13.78736506
  H     15.87141109     14.28221354    -17.61298138
  O     15.32837428      8.59604318    -14.27279844
  H     16.57518132     11.41332276    -18.30227912
  H     15.28398407     13.06133618    -16.85798732
  O     20.73185752     10.02536422    -14.70325937
  H     17.33532870     12.59927830    -18.90890620
  H     16.76062021      7.61251691    -11.22680610
  O     13.73341388     14.53937052    -14.57861905
  H     18.83786279     11.37862326    -17.55293560
  H     17.48111990      8.72767967    -12.01811475
  O     16.72201606     12.68313927     -9.65308702
  H     19.50096024     12.20973741    -16.42284462
  H     16.93245968     14.94940000    -19.85318007
  O     17.23658702     10.25067106    -15.41148273
  H     15.69472529     11.23589327    -10.43847824
  H     17.97288539     14.75988165    -18.72453076
  O     19.65698280     13.88323601    -15.64513696
  H     15.62290376      9.88874267    -11.19912734
  H     15.25545794     14.95948433    -11.78306916
  O     14.06024678     12.10058496    -13.03111494
  H     15.66494302      8.41901813    -13.38673202
  H     14.55269076     13.59321041    -11.74762790
  O     18.68052087     12.10600931    -11.60965957
  H     16.06584895      9.00918292    -14.74502982
  H     16.71071308     15.37681010    -14.24536086
  O     15.38848875     14.02384132    -16.81836138
  H     20.33981755     10.39823677    -15.50921816
  H     16.56350896     14.55495874    -15.55785550
  O     16.60574994      8.39344583    -11.75152274
  H     21.46511608      9.48392945    -14.98657599
  H     12.48141135      9.75457590    -15.08857198
  O     17.08155322     14.50678803    -19.02150871
  H     14.16159367     14.37991302    -15.43095358
  H     13.97301461      9.56920657    -14.71071227
  O     15.08112740     14.19864067    -11.21629790
  H     13.72644121     13.69715454    -14.10877677
  H     16.96580042     13.16077486    -14.02870405
  O     17.17185922     14.76757887    -14.83387309
  H     16.16933556     13.30231352    -10.16291679
  H     15.88775085     12.22789832    -13.40496933
  O     13.30294526     10.22580775    -14.97953907
  H     16.65467755     12.94669114     -8.73921340
  H     19.71149772     14.69107778    -17.23290883
  O     16.82219221     12.29000414    -13.63576477
  H     18.02420587     10.49118283    -15.91167748
  H     20.45323053     15.34532952    -18.40900376
  O     19.58633426     15.07844460    -18.11456406
  H     17.15307433     10.91297893    -14.70796370
  H     15.90678222     10.90699224    -16.41568269
  O     15.15067652     11.27211403    -16.90088891
  H     18.82631199     14.26597403    -15.32929063
  H     14.37368753     10.94703153    -16.43335641
          69
 Energy    -247.92939227771291     
  O     12.29529155     11.58292366    -16.07611643
  H     12.83053241     11.51320941    -16.87644828
  H     19.33661062      9.79762749    -12.76802786
  O     18.04059606      5.78089221    -13.90201212
  H     12.91233156     11.80709015    -15.36683522
  H     15.38018096     11.37368444    -15.47718201
  O     18.85331976      9.41626779    -10.89903225
  H     17.20186172      5.37796125    -14.15346810
  H     15.39622390     11.18303604    -17.01326505
  O     18.00835336     12.26578509    -14.57072103
  H     17.91989790      6.11042138    -12.99945309
  H     16.45571625      8.11840134    -12.70439785
  O     15.44119932      4.78926377    -14.58296097
  H     18.07260788      9.99324511    -10.96985529
  H     16.26617949      8.78304653    -14.08100375
  O     14.38858969      9.55177592    -10.09796734
  H     19.39870448      9.77182875    -10.20220232
  H     11.41555913     10.08319514    -15.90913353
  O     13.93397556      5.93960441    -12.42063472
  H     17.45167046     11.94464517    -15.29031665
  H     10.08027804      9.30640817    -16.01255562
  O     13.00848822      8.45394150    -17.81595440
  H     18.55858917     11.52162026    -14.28392751
  H     18.02490255      7.77010700    -11.19268629
  O     15.06775802      6.77547275    -10.11521426
  H     15.10529959      5.50248856    -15.15290002
  H     16.74784423      6.91521170    -10.89699651
  O     16.68369394      8.57786741    -15.90311950
  H     15.22799859      3.96774186    -15.01862532
  H     16.99347585     12.95313885    -13.38862689
  O     14.50725378      6.97126712    -15.93559790
  H     14.63052883      8.61887249    -10.04490157
  H     16.49613199     14.16242594    -12.55511668
  O     19.45844663     10.07149140    -13.68314199
  H     15.18835930     10.03059076    -10.35755308
  H     18.87953286      6.98585395    -14.81089001
  O     15.96317711     11.20679443    -16.23251192
  H     14.46273116      5.45431723    -13.06473878
  H     20.00104452      7.36634249    -15.80850466
  O     16.03228687      8.86195418    -13.14989071
  H     13.43034121      6.59030599    -12.92656659
  H     16.34053391     10.18635634    -12.06332689
  O     11.01759583      9.19407265    -15.88018726
  H     12.23235196      8.61168088    -17.26449962
  H     16.48985960     11.69865100    -11.70777304
  O     17.49766979      7.01974362    -11.49659221
  H     13.55678039      7.83517037    -17.31610639
  H     13.71694273     10.01827415    -18.17085900
  O     16.32856302     13.24198301    -12.73401050
  H     14.62593912      6.46072443    -10.92548676
  H     14.00534651     11.14323371    -19.19295200
  O     19.27752016      7.72692780    -15.30356481
  H     14.80768710      6.18373629     -9.41412350
  H     13.42014804      9.94272097    -11.48997950
  O     16.55686216     10.80866972    -11.34550245
  H     16.55968591      9.51915361    -16.08704751
  H     12.06909264     10.51134318    -11.97489003
  O     14.03529199     10.93414628    -18.26337489
  H     17.62521298      8.38477607    -15.82433163
  H     13.88741495     11.24936273    -13.44799683
  O     12.91225946     10.18721101    -12.28241613
  H     15.30789706      7.51775143    -15.98624938
  H     14.87149814     12.44066818    -13.60095080
  O     14.26731332     11.86654403    -14.08739392
  H     13.94334235      7.35160962    -15.24592210
  H     12.92791974      8.70560582    -13.41798603
  O     12.73616238      7.96958547    -14.01406338
  H     19.46398807      9.26169307    -14.20765363
  H     12.04996860      8.28649981    -14.61491518
          69
 Energy    -247.92926657666987     
  O     10.88601833     11.24650961    -12.01410764
  H     11.54879956     11.24663783    -12.72233516
  H     19.88098609      6.31789827    -15.50188210
  O     14.30546560      6.86051515    -15.09426662
  H     10.44700112     12.09181195    -12.06586994
  H     14.49254620     12.50149482    -16.62093007
  O     17.04324732     11.33804545    -11.17886445
  H     14.51572854      6.82466541    -16.03472420
  H     14.20513882     10.98231987    -16.56605224
  O     17.39592214      8.18659273    -17.19155627
  H     14.94865382      7.46310942    -14.68903428
  H     16.42239475      9.18281265    -14.50150137
  O     12.09075826      8.53663042    -14.98377447
  H     16.16071212     11.03971805    -11.44260714
  H     15.60533804      9.11739154    -13.17758420
  O     15.95354717      7.18542943     -9.66927170
  H     17.34439173     10.69896391    -10.52153693
  H     10.78947958      9.72615264    -11.12250237
  O     13.60455635      5.99775024    -12.54269574
  H     17.97684426      7.59429973    -16.69334936
  H     10.11103566      8.88613272    -10.01430404
  O     14.68873587     10.18169713    -12.04326325
  H     17.40572082      9.03650139    -16.73418307
  H     18.86032433      7.91448869    -12.36414974
  O     14.95435879      7.27046029    -17.79979249
  H     12.86323518      7.95873685    -15.06587275
  H     19.13471158      9.42796457    -12.55999757
  O     16.06343313      5.11026859    -11.38373713
  H     11.50695170      8.08882136    -14.35646924
  H     10.78175528      7.62030879    -12.15995590
  O     17.09952007     10.47269211    -15.57273820
  H     16.60915536      7.89104749     -9.61690901
  H     11.70570029      6.53650343    -12.75051746
  O     18.95169143      6.50814199    -15.60602126
  H     15.09925082      7.59860462     -9.85166976
  H     19.33789838     11.84623640    -13.28288881
  O     14.59678991     11.72753233    -16.07287952
  H     14.38169546      5.56009791    -12.17412934
  H     18.06245360     11.32136902    -12.58321566
  O     16.03545791      8.57939503    -13.85425823
  H     13.81618799      6.18320945    -13.46902794
  H     17.26737809      5.98715882    -12.54883526
  O     10.79457055      8.86068654    -10.67884701
  H     14.02954432     10.52740950    -12.65811391
  H     17.13868128      7.30751466    -13.34479865
  O     19.28732394      8.68514050    -11.96544995
  H     14.25821469      9.50426440    -11.50356245
  H     18.52217252      8.95270409    -10.41481675
  O     10.93055903      7.07842991    -12.94395511
  H     15.86171338      7.58825576    -17.63449456
  H     18.63559249      9.19484965     -8.89122966
  O     18.63961368     11.20073057    -13.35897358
  H     14.99070311      6.72089467    -18.57730346
  H     13.92816969      8.83517201    -17.54558885
  O     17.76297763      6.60746109    -13.09441924
  H     16.06770193      5.81980151    -10.71430116
  H     12.76468497      9.26145716    -16.62694716
  O     18.01100724      9.15754600     -9.61123934
  H     16.21729947      4.29200393    -10.91908809
  H     13.50413272      7.38873779    -11.35346739
  O     13.41741833      9.60069725    -17.25302738
  H     17.64536527     10.84097463    -14.86417813
  H     12.57492839      8.34570905    -10.55507956
  O     13.49722347      8.10095173    -10.69667609
  H     16.31900495     11.02791423    -15.69363767
  H     13.41420333     11.37009225    -14.62403147
  O     12.83763212     10.97734320    -13.95910993
  H     18.56663318      6.43927774    -14.71901512
  H     12.54540534     10.12037435    -14.30927332
          69
 Energy    -247.92925639145687     
  O      0.98628075     -1.00945520      5.28427047
  H      1.23743943     -0.78484679      6.19086383
  H      5.42908274     -0.93686947      5.06829302
  O      0.91708900      2.12191562      7.26111940
  H      1.55240013     -1.75132021      5.02990402
  H      6.93258448     -0.10996505      9.38664733
  O      6.46884529      0.53175226      2.59790708
  H      1.70128504      2.68210275      7.32433131
  H      5.57995127      0.07068449      8.67988428
  O      3.34025243      4.07092346      2.39646192
  H      1.18597531      1.24545815      7.56025031
  H      4.83381758      0.98407667      6.69759682
  O      2.40380217     -0.14691315      1.55827519
  H      6.46500303     -0.40882535      2.38648159
  H      4.13722462      1.94998120      7.68383864
  O      2.89487032     -2.97295329      4.93383950
  H      5.86847362      0.96246987      1.97039837
  H      5.69861082     -2.11993061      8.27715502
  O      6.18637012     -2.32257047      2.35997297
  H      2.43713089      3.77917915      2.60407579
  H      5.55739172     -2.57379206      6.80298937
  O     -0.22139634      0.94585800      1.48697760
  H      3.26049255      4.87127590      1.88234406
  H      3.71474108      3.74256562      6.51372040
  O     -0.79422184      2.76474980      5.28584892
  H      1.49794661      0.12104214      1.36562253
  H      3.50201008      4.41740237      7.89032755
  O     -1.09421519      0.24778811      3.94057417
  H      2.57728466      0.16396665      2.45934352
  H      3.67269254     -3.12612762      7.82671292
  O      0.92174392      2.97587173      3.08611766
  H      2.73289501     -3.25006340      5.84428769
  H      2.45751824     -3.92029002      8.36777194
  O      5.48858612     -1.89941264      5.04707619
  H      3.78671696     -2.59461310      4.94102770
  H      2.05872117      1.68374331      3.88576209
  O      6.13228616     -0.57283241      9.15030186
  H      5.24088905     -2.47860251      2.18476402
  H      1.99718196      0.28409158      4.56445084
  O      4.48910053      1.05556073      7.59930643
  H      6.67085850     -2.97087562      1.85653127
  H      3.06324149     -1.86702838      1.83212425
  O      5.35372689     -2.82593445      7.71297454
  H     -0.59696634      0.60959242      2.32182540
  H      3.12782477     -2.91281045      2.97686797
  O      3.32233090      3.62144947      7.39692629
  H     -0.91070874      0.89153351      0.83090756
  H      4.17342494      3.92705922      4.08776819
  O      2.70115737     -3.20755795      7.78383021
  H     -1.49713614      3.28960138      5.65911596
  H      4.94219302      2.87098767      4.90251745
  O      2.58618875      0.91395237      4.12675544
  H     -0.20371972      2.52359365      6.02262401
  H      3.77505316      1.09289913      1.04929216
  O      3.50606446     -2.67626204      2.12201591
  H     -0.46693948     -0.31545891      4.41604853
  H      4.13329326      2.53464732      1.47054489
  O      4.51435266      3.73298296      4.96900884
  H     -1.14328564      1.06731336      4.44738474
  H      2.94646594     -0.00095340      7.73740354
  O      4.49445593      1.73674634      1.06863585
  H      0.52495639      2.37475630      2.44076174
  H      2.25460654     -1.37698530      7.91335713
  O      2.08386543     -0.43686016      7.77057845
  H      0.30973150      3.03532226      3.83190283
  H      5.74549538      0.85255076      4.12905441
  O      5.18641797      0.93490491      4.91905033
  H      5.86527665     -2.12769260      4.18727389
  H      4.25978764      0.92973171      4.62669450
          69
 Energy    -247.92921535013613     
  O     20.07274150     10.84882136    -18.76084118
  H     19.79521943     11.70061876    -19.14610276
  H     20.37247386     14.84094252    -17.19068083
  O     17.71994337     17.63559203    -13.86568121
  H     20.10752140     10.21984133    -19.47604721
  H     14.30002864     12.85884279    -14.19582108
  O     22.22547171     12.12525596    -14.60212270
  H     17.27835411     18.07405081    -14.60831141
  H     14.53274353     14.32005862    -14.60611649
  O     16.00565097     15.41405575    -14.23596263
  H     18.65918641     17.65791457    -14.09283867
  H     22.70652677     13.91711638    -14.35934907
  O     16.81743839     13.23421983    -18.06287399
  H     22.74994263     11.38298273    -14.31524710
  H     22.39012207     15.16752049    -13.50702963
  O     15.30312934     11.49674427    -13.25501449
  H     22.22084198     12.11162520    -15.57777008
  H     16.69499619     12.69087681    -12.92016929
  O     14.23443059     12.44137373    -17.29210930
  H     16.48813479     16.22660374    -14.03768372
  H     18.11939503     13.03235262    -13.44562729
  O     22.05251509     12.23298775    -17.27551550
  H     16.48749189     14.69606183    -13.80010770
  H     16.62647109     10.63978271    -16.05885551
  O     22.61532194     16.64719363    -16.31972657
  H     15.89159812     12.97988294    -17.95670346
  H     15.16064517     11.01784124    -16.34525495
  O     19.46940649     12.66428119    -14.58908934
  H     17.32654803     12.58955096    -17.55051178
  H     15.88692586     18.87572345    -16.71999801
  O     19.27069303     13.31355074    -19.54659895
  H     15.47766532     11.06928322    -14.11301581
  H     16.64869416     17.54252287    -16.65188159
  O     21.05917718     14.80641851    -17.87415417
  H     14.92040804     10.83222120    -12.68856414
  H     21.67890479     16.40929206    -11.40536708
  O     14.00370779     13.53866145    -14.81372374
  H     13.37774755     12.37284144    -17.70474525
  H     20.39517045     15.83857938    -12.04808583
  O     22.86746177     14.86561688    -14.29022057
  H     14.09895627     12.88996574    -16.43802089
  H     20.82469301     16.97940549    -13.75147966
  O     17.37839484     13.37248905    -12.92345648
  H     21.48337460     11.64642223    -17.78732921
  H     21.15972178     17.29400898    -15.23129053
  O     15.72038408     10.51147566    -15.74468739
  H     21.80433183     13.13148930    -17.53220443
  H     18.23057419     16.38795979    -12.42980735
  O     16.59919086     18.43189645    -16.26653475
  H     22.77883942     15.97998340    -15.62717693
  H     18.21065296     14.86769540    -12.13329475
  O     21.33275427     16.04340531    -12.21522790
  H     23.44504969     17.09124025    -16.47362376
  H     18.89231852     10.99905013    -17.31343925
  O     20.44943849     17.31439187    -14.57768145
  H     19.42971991     13.53734999    -15.01156157
  H     18.71637676     11.68793257    -15.92116760
  O     18.67553135     15.69036538    -11.93362986
  H     20.40055500     12.44171511    -14.47458608
  H     19.62680734     15.84962354    -15.33912563
  O     18.24291245     11.26945808    -16.65344667
  H     19.85664489     13.94918548    -19.11554024
  H     18.40925800     15.36935152    -16.18432231
  O     19.25876956     15.09540094    -15.81592361
  H     18.38587000     13.44197231    -19.18173283
  H     16.37708849     15.53703055    -15.99523312
  O     16.75838758     15.72157116    -16.86783315
  H     21.69122189     15.48191257    -17.60545522
  H     16.73258864     14.89880518    -17.37386201
          69
 Energy    -247.92909419091939     
  O     13.53258713      1.40383998    -14.82764778
  H     13.99735909      1.38393111    -15.67479447
  H     15.81394377      4.65874860    -15.64124840
  O     20.07597788      7.99261857    -16.67049962
  H     14.18080936      1.68046698    -14.16719164
  H     16.93386738      5.68115952    -18.72107078
  O     14.40171907      4.85366099    -11.75524693
  H     19.44116364      8.68227113    -16.43895990
  H     18.41779021      5.86894664    -19.12284079
  O     13.62094849      4.93431787    -19.81869388
  H     19.97548550      7.30344479    -16.00120903
  H     15.03437237      3.33222499    -12.60505699
  O     19.15230195      4.79913895    -12.29981250
  H     15.20543361      5.39694630    -11.84911424
  H     15.73771533      3.07648284    -13.96797608
  O     17.11247384      8.82779380    -18.62080276
  H     14.07269678      5.00004290    -10.87256615
  H     16.62536378      3.73431973    -19.48996104
  O     15.07885463      6.27928875    -15.81625155
  H     13.18566648      4.50049856    -19.06140704
  H     15.12884775      3.69452994    -19.82565221
  O     18.74814612      3.92604132    -16.69654800
  H     12.96820561      5.00183693    -20.50967556
  H     19.37417599      5.55157101    -13.98299046
  O     14.93401633      2.02321396    -17.22869789
  H     19.78225019      4.84565463    -11.58458494
  H     19.20133339      5.22376549    -15.49062501
  O     18.06776990      2.30162873    -12.31026003
  H     18.80322571      3.89124217    -12.30682369
  H     17.88165277      7.04569236    -14.67360416
  O     17.86019219      9.75653910    -16.19124319
  H     17.89812403      8.40984772    -18.99214588
  H     17.31049352      8.44739221    -15.00397669
  O     16.21832925      3.79062659    -15.50182632
  H     16.42100352      8.15103673    -18.63531295
  H     12.49811650      4.85978433    -14.43544115
  O     17.76379687      5.20402211    -18.87261930
  H     15.71351363      6.82066082    -15.32849144
  H     13.41675020      5.36207481    -13.29670751
  O     15.46705432      2.65196460    -13.13695859
  H     14.30009193      6.12819591    -15.25915415
  H     12.16945454      3.63116914    -16.86744758
  O     15.88188764      3.13138797    -19.60567323
  H     18.41407869      4.36325214    -17.49931507
  H     13.38635811      2.99131531    -17.55211215
  O     19.34124057      5.94611820    -14.86367373
  H     19.19634757      3.13215503    -16.97688719
  H     15.20424784      6.51812154    -17.55638830
  O     17.12451783      7.63060608    -14.52480407
  H     15.37873478      2.62831691    -16.61725260
  H     14.74287647      6.13998644    -18.99922870
  O     13.04595795      5.60353580    -14.15399203
  H     15.29570341      2.22817918    -18.10244773
  H     17.51009688      5.78287990    -12.08837098
  O     12.64887585      3.59973254    -17.70107701
  H     18.26209633      1.37385746    -12.20680898
  H     16.74429812      6.87077666    -12.86187705
  O     15.41333008      6.61941505    -18.49776211
  H     17.13021452      2.35251700    -12.55779892
  H     19.79419537      7.55658988    -18.34109489
  O     16.67710586      6.26745211    -12.11007998
  H     17.78041007     10.70549630    -16.15273074
  H     20.23843970      7.60015171    -19.82318823
  O     19.51758347      7.34963857    -19.25200332
  H     17.52539883      9.48052407    -17.06392502
  H     10.75388503      2.97478529    -14.83029291
  O     11.61297130      3.32816501    -15.04508298
  H     17.11674628      3.81710669    -15.84953964
  H     12.25019922      2.60084978    -14.93077368
          69
 Energy    -247.92907283700691     
  O     18.59824840      9.39526885    -11.97606520
  H     19.22346925      9.91757049    -12.49174822
  H     15.01253890      9.01824550    -15.47995025
  O     12.81093551      8.68034371    -11.86406930
  H     18.54056918      9.73662145    -11.07351211
  H     12.80485414      9.65401784    -16.69751743
  O     20.09416561     10.87546195    -13.79197007
  H     12.60229160      8.84104175    -10.93790517
  H     13.02570741      9.90863149    -15.18452661
  O     12.33581868      7.16158825    -14.24416135
  H     13.56831962      8.07545307    -11.85196006
  H     12.44902385      9.68362887     -8.40094409
  O     17.56383755      6.87151006    -11.73826912
  H     19.37280171     10.83034960    -14.44768902
  H     13.69945026      9.72397977     -9.31295913
  O     17.79218902     10.01810353     -9.37803327
  H     20.90941005     10.73813303    -14.26536521
  H     16.54430636      7.15336846     -8.79113105
  O     17.83305269     12.84836065    -10.02396921
  H     12.27264930      7.65679143    -13.41753530
  H     17.88017330      6.66776296     -8.18474447
  O     15.07233592     10.59646382     -9.98256290
  H     12.57193835      7.81091054    -14.91857872
  H     14.94334147     12.98091255    -12.04188311
  O     14.11415823      5.15145642    -13.88631662
  H     17.99049088      7.71662866    -11.94542903
  H     15.34903932     11.69830982    -12.81232247
  O     17.96176112     10.88606548    -15.44349579
  H     17.63442915      6.79110848    -10.77993629
  H     15.80042121      9.65127166    -13.40981237
  O     16.62258050      6.42318430    -14.44808674
  H     17.82004015      9.09329676     -9.10067646
  H     16.90693094      9.91466161    -12.36879408
  O     15.89333059      8.99884065    -15.08900915
  H     16.85184959     10.22238739     -9.47992438
  H     19.37463161     12.42024702    -12.96204486
  O     13.20663757      9.28765595    -15.91472877
  H     18.04130820     11.96354744     -9.70738067
  H     18.17114389     13.31290240    -13.28871510
  O     12.94018338      9.17733027     -9.04248229
  H     18.24187293     12.94900691    -10.89818855
  H     16.07894957     13.18394092    -14.11111248
  O     17.51292654      7.22632615     -8.86505701
  H     15.03641746     11.56163913     -9.99981857
  H     16.57144523     14.17102197    -15.19427674
  O     14.92377309     12.56610011    -12.91284930
  H     15.26771446     10.30101913    -10.88509534
  H     15.72749876      6.86984978    -11.75972370
  O     15.96847155     10.05648775    -12.54848394
  H     13.43333670      5.81813184    -14.08997241
  H     14.52828390      6.06864666    -12.32504728
  O     18.79911568     13.09900084    -12.58928352
  H     13.72565677      4.29807652    -14.05631919
  H     14.97773634     14.14822325     -9.71392681
  O     16.82902173     13.40495645    -14.68788824
  H     17.53181688     11.73852420    -15.30259345
  H     16.18914778     13.27803249    -10.13601477
  O     14.77722030      6.72178983    -11.66019944
  H     17.26799825     10.21436036    -15.40509447
  H     13.41386406     11.52026070    -13.45275978
  O     15.22421394     13.39040244    -10.23575534
  H     15.82511361      5.88970793    -14.33842952
  H     12.81504714     10.15714398    -13.01279071
  O     12.81768306     10.81331255    -13.72425391
  H     17.07519658      6.41066408    -13.59617557
  H     14.12780193      7.66832823     -8.75564108
  O     14.80649386      7.00085448     -8.90268878
  H     16.15502658      8.07515176    -14.95675229
  H     14.71820627      6.76024547     -9.83696252
          69
 Energy    -247.92883986339703     
  O     15.27964843     12.62872252    -12.31813757
  H     15.96131871     12.20160684    -11.78711965
  H     14.40770672      6.39220446    -14.44318265
  O     15.90586050      9.42899062     -7.33085343
  H     14.60361738     12.91321276    -11.69053307
  H     11.52373091     11.06116329    -11.34666457
  O     17.32421205      6.93116922    -10.72476613
  H     16.72382065      9.22988944     -7.79910598
  H     11.41138289     10.69233471     -9.86188626
  O     14.61134879      4.38442277    -11.03937978
  H     15.42346741     10.05152080     -7.89518166
  H     16.73122814      9.46344092    -15.72721662
  O     13.81343961      7.71957761     -7.18470216
  H     17.31000989      6.22936336    -11.38806729
  H     16.36178438      9.14828649    -14.25917962
  O     16.81475360     10.91064765    -10.59968822
  H     16.47413558      6.87632616    -10.25944689
  H     18.00695350      8.19900047     -9.61615998
  O     13.32963535     13.20228951    -10.25083907
  H     14.67002800      5.13881149    -10.43469252
  H     19.11811833      8.84879439     -8.76440176
  O     11.02650410      7.19396857    -10.75317722
  H     15.34478192      4.48762432    -11.65563618
  H     14.43325228      7.02746644     -8.79304339
  O     14.41987413     10.83134185     -9.23243904
  H     14.58598083      8.30978483     -7.11836220
  H     14.39461150      7.35010894    -10.32363637
  O     14.05958939      8.23439344    -11.87936269
  H     13.67242664      7.34738859     -6.31882119
  H     12.77812552     10.60457805    -13.42025129
  O     12.01680165      4.64308318    -11.71014780
  H     15.95241962     10.85521919    -10.15845056
  H     12.84080715      9.55209165    -12.29227252
  O     15.35854220      6.42839740    -14.61633766
  H     17.42674405     10.41107183    -10.04706772
  H     12.47585630      5.76713666    -13.09919000
  O     11.30011511     11.42722755    -10.47796837
  H     13.05237554     14.05152648     -9.91845179
  H     11.94811470      7.04381502    -13.78901489
  O     16.01587585      9.16670308    -15.16899779
  H     12.52505319     12.66147034    -10.34912457
  H      9.71273452      8.48741330    -13.87576961
  O     18.21203123      8.95627069     -9.04423531
  H     11.33883693      6.30080921    -10.93809682
  H     11.04361201      8.98060571    -13.26030026
  O     14.79352696      6.77786629     -9.65025645
  H     10.70652538      7.53017700    -11.59869205
  H     12.56961541      8.63093623     -8.34218630
  O     12.23791030     10.14923913    -12.75736996
  H     13.67677371     10.21820921     -9.31015721
  H     11.79260465      8.41696902     -9.66783804
  O     12.73057826      6.48602094    -13.69348890
  H     14.08400353     11.70753943     -9.46001046
  H     17.34286961      4.43001457    -13.23158976
  O     10.50233414      8.18966164    -13.43277707
  H     13.68672150      7.60207489    -12.50840180
  H     16.31518747      5.56250777    -13.45390168
  O     12.19961187      9.09177980     -9.10337567
  H     14.92252213      8.50928981    -12.21232683
  H     14.69729481     10.58231544    -14.76245314
  O     16.81400449      5.07708505    -12.77216214
  H     11.55071515      3.81212524    -11.68016340
  H     14.56443168     11.76627349    -13.76426045
  O     14.08078660     11.23514520    -14.41587526
  H     12.93731442      4.45955096    -11.45032322
  H     16.75212127      9.76247926    -11.96739573
  O     16.71128034      8.98920308    -12.54782485
  H     15.54180617      7.31785532    -14.94001039
  H     17.01989594      8.24094469    -12.02257121
          69
 Energy    -247.92883326572314     
  O     13.45665747     13.24723110    -14.38563649
  H     14.13444953     13.68189470    -14.91709862
  H     18.01801409     11.11005771    -15.29441693
  O     17.98722655      7.88781649    -13.81052050
  H     13.07909210     12.56467739    -14.95263095
  H     16.05489307      8.84860430    -18.09121227
  O     19.12194365     10.15719041    -12.54759792
  H     17.85094040      7.88426336    -14.76244270
  H     15.87917473      8.96220898    -19.62228655
  O     17.70286079     14.01490411    -14.32323444
  H     17.32900185      7.27007612    -13.46927143
  H     15.97519790     11.56578171    -12.82166263
  O     15.84911724      6.08104204    -13.13441993
  H     18.76358810      9.35207019    -12.94725232
  H     15.94515890     10.13404981    -12.24914955
  O     15.98920831      9.62390358    -10.44561767
  H     19.35083335     10.75115339    -13.27154931
  H     13.79513125     11.39567854    -16.58024066
  O     14.59163686      7.34068402    -11.12574016
  H     17.28153111     13.82537010    -13.47212249
  H     12.77719545     10.25684304    -16.67085454
  O     13.67674020     13.36004427    -11.67714373
  H     16.98723324     14.14978403    -14.95438233
  H     12.54476313      9.15335271    -12.45580512
  O     13.09423396      8.60643136    -17.41578951
  H     15.38489899      6.48842780    -12.38058390
  H     11.29586561      8.62309327    -11.71289458
  O     16.78089532      8.22575020    -16.56772237
  H     15.99911989      5.16822178    -12.90409058
  H     15.56345455     13.30291284    -11.68319497
  O     14.47877340      7.40746864    -15.19783019
  H     15.18465235     10.12674693    -10.23352904
  H     16.97095315     12.68866924    -11.31606460
  O     17.16058560     10.69728065    -15.45031517
  H     16.74471944     10.18747610    -10.24734476
  H     18.91503414     12.80382604    -14.56163472
  O     15.55460244      9.30126879    -18.79201412
  H     13.71577393      7.73464191    -11.20279318
  H     20.29115321     12.34021530    -15.10299091
  O     15.80352115     10.64541815    -13.05635001
  H     15.16748727      8.04220460    -10.78786579
  H     18.51417135     10.98635948    -11.16810728
  O     12.95027017     11.09626538    -16.21833454
  H     13.14502176     14.09544213    -11.38262718
  H     18.80344202     11.62194995     -9.78520745
  O     12.20295035      8.88742129    -11.58429770
  H     13.55294737     13.29672962    -12.64083000
  H     15.46988826     11.05018437    -17.99912140
  O     16.46825726     13.16461659    -11.99068998
  H     13.82695660      8.78847521    -18.01657902
  H     16.09237999     11.41668972    -16.63691018
  O     19.48383026     12.02526673    -14.70665363
  H     13.45925608      8.02375686    -16.73727508
  H     13.55206051     11.74277291    -10.69501501
  O     18.11132383     11.47152054    -10.42288749
  H     16.97773756      9.09655763    -16.18829506
  H     13.00487867     10.29825404    -10.57353798
  O     15.48534157     11.73806748    -17.32388866
  H     15.99343195      7.89812037    -16.10793790
  H     15.50077366     13.41091311    -16.68873945
  O     13.61106988     10.93391613    -10.17213942
  H     14.88881222      6.82948335    -14.54172647
  H     15.34901555     14.94585567    -16.77129470
  O     15.49107221     14.22632272    -16.16031204
  H     14.09844366      8.14703724    -14.70329441
  H     14.23527925     10.04813277    -13.57803871
  O     13.40962542      9.65554815    -13.89994754
  H     16.73418115     10.58231871    -14.58839435
  H     13.15108911     10.15975534    -14.68135409
          69
 Energy    -247.92880504554415     
  O     14.17520607      9.52937839    -16.65141231
  H     14.70498945      9.21222832    -17.39911836
  H     17.56894999      7.87746191    -16.52352746
  O     15.98133847      3.62414562    -15.83187950
  H     13.59836907      8.80902161    -16.38174084
  H     17.11627659      6.24608474    -15.18280944
  O     17.26898146      7.77620506    -11.53875173
  H     15.64562431      3.62546461    -14.92442538
  H     15.80042222      6.55316952    -15.95725072
  O     19.58523381      5.69723014    -17.24253803
  H     15.39884985      4.24824157    -16.29134296
  H     11.57545261      7.35174759    -15.74945044
  O     17.32266629      4.33994323    -18.36902804
  H     16.58286401      8.09780670    -12.14166962
  H     12.77624325      7.05117316    -14.82378116
  O     13.43657966      6.00460608    -10.59073953
  H     18.08648979      8.21987182    -11.80810146
  H     16.41006555      5.09914595     -9.48741576
  O     15.00847775      4.28175579    -13.27832818
  H     20.50437816      5.44841140    -17.30138554
  H     17.14701704      4.37980722    -10.62351751
  O     15.48907138      8.56539614    -13.46324002
  H     19.26973702      5.39550857    -16.37267294
  H     13.70675600      6.18649834    -16.63308780
  O     18.33746604      4.82112226    -14.97679565
  H     16.97575676      3.87487460    -17.59981804
  H     14.63360175      5.83856722    -17.85319517
  O     14.27242855      3.25557075    -10.76333254
  H     18.13367984      4.77863713    -18.08234589
  H     20.25172269      9.45330836    -12.53640727
  O     18.38233175     10.09928324    -15.00271444
  H     14.19077739      6.38156839    -10.12069331
  H     19.04543702      9.46024127    -13.48871260
  O     18.23208198      8.23615559    -17.13495171
  H     13.56557383      5.04858324    -10.56371670
  H     16.65655996      4.86279232    -12.66686458
  O     16.49281896      6.94633218    -15.40958088
  H     14.48068606      5.08691562    -13.36426451
  H     17.51137570      6.03781343    -12.10070578
  O     12.52587808      7.27118872    -15.73760369
  H     14.68813843      3.81820333    -12.49376038
  H     15.97411503      7.52633109     -8.60948588
  O     16.63010685      4.22023926     -9.82293788
  H     15.89189449      8.02714011    -14.16471976
  H     16.40449086      7.28760198    -10.07404209
  O     14.48217494      5.68426133    -16.91215833
  H     15.47561076      9.47085502    -13.79395597
  H     15.18772945      5.58362261    -20.39820300
  O     19.37904769      9.08863355    -12.65420266
  H     17.59957399      4.27043918    -15.27897269
  H     16.14738226      5.34268259    -19.20871570
  O     17.54406551      5.10801209    -12.36524027
  H     18.27907359      4.87190724    -14.01278227
  H     14.14832361      7.41612096    -13.26711674
  O     15.87044293      6.92800850     -9.34505910
  H     15.12331706      3.50061427    -10.35684909
  H     13.33243256      6.50506867    -12.30681860
  O     15.42956303      5.91299226    -19.53690489
  H     14.00279661      2.43157446    -10.36774694
  H     15.09425029     10.49158352    -15.56571442
  O     13.49800966      6.69798927    -13.24118127
  H     17.48891365     10.46280524    -15.00331101
  H     15.32973830     11.85485436    -14.87211422
  O     15.62945136     10.95053785    -14.89160258
  H     18.45958654      9.57156121    -15.80736112
  H     16.75112943      8.57761565    -18.26842004
  O     15.85669946      8.59305315    -18.63331362
  H     18.82956220      7.50127469    -17.31057881
  H     15.73227768      7.73812505    -19.06064805
          69
 Energy    -247.92876410767857     
  O     12.39593410     10.05354775    -11.29592466
  H     12.76149125      9.67783975    -12.10651898
  H      9.76724833     12.70694603     -9.79416817
  O     11.30533518     12.37137612    -12.41923996
  H     11.96277255     10.87565183    -11.55633304
  H     10.73469544      7.25481509     -7.12116959
  O     14.09066430     10.35867959     -9.20227722
  H     10.97246907     12.76642492    -11.60273754
  H     10.89080907      8.66803820     -7.72934332
  O     14.45888689      6.28888459    -10.74717675
  H     12.17265804     12.76369560    -12.59766987
  H     11.07965385     11.03770732     -7.66194215
  O     13.42661162     16.01213427    -12.51085810
  H     13.51316815     10.22421604     -9.97015242
  H      9.73178374     10.64652711     -8.30764714
  O      8.87897662      9.65517975    -11.73424679
  H     14.19363146      9.48943483     -8.79272192
  H     14.13493061      7.21314741     -9.11867091
  O     13.84706115     13.33089960    -12.75250563
  H     13.69845523      6.32447117    -11.35381008
  H     13.03775430      7.67768360     -8.13072033
  O     10.74475599      7.93410654    -10.60480983
  H     14.80128239      5.39947662    -10.78945479
  H     14.99052588     11.65710073    -10.02889722
  O     12.23311247     15.54923677    -10.09486792
  H     13.24045408     16.88140807    -12.85366522
  H     16.00840962     11.94313532    -11.14712986
  O     15.42914080      8.44924634    -12.31179238
  H     12.95103121     15.94545933    -11.66490412
  H     13.60268454      9.82712203    -14.13921097
  O     14.41118223     14.25974505     -8.75049483
  H      9.29286201      9.84592686    -12.58230025
  H     12.10048616      9.44100682    -14.06564331
  O     10.56495643     13.23884820     -9.90873845
  H      9.38932637      8.92719159    -11.35094489
  H     10.69885070     11.17716811    -13.56721608
  O     11.14554006      7.73353661     -7.83612059
  H     13.78027938     14.29708165    -12.75301615
  H     10.02860781     10.72587159    -14.88649020
  O     10.41556188     10.33861052     -7.70079874
  H     14.35122700     13.06540248    -11.97291020
  H      7.59185466     11.42040886     -9.45534590
  O     13.97363156      7.77189128     -8.34793511
  H     11.31456630      8.70411821    -10.75983203
  H      8.61631197     10.75809943    -10.40481240
  O     15.38091770     12.37400111    -10.55306462
  H     10.81239254      7.73289597     -9.66398627
  H     15.55642510     11.04007481    -13.79935415
  O     12.99159840      9.11699649    -13.87886418
  H     12.97393253     15.19302688     -9.58780406
  H     14.37343365     11.99847487    -13.91107342
  O     10.44036023     10.39755605    -14.09050393
  H     11.53147054     14.88879418    -10.04154168
  H     17.76666929     10.57018362    -12.50816308
  O      8.52613686     11.33816027     -9.62848645
  H     15.21521068      7.73120737    -11.70408266
  H     16.39709185      9.90233599    -12.24575100
  O     14.72948476     11.17598673    -14.27572555
  H     14.70431247      8.48550148    -12.94388227
  H     12.51796462      7.33717502    -13.11217698
  O     16.84817351     10.76126761    -12.33705916
  H     15.11436288     14.68579046     -8.26598107
  H     11.68875040      6.97204314    -11.86033757
  O     12.37447584      6.64285552    -12.46021852
  H     14.83702965     13.67473137     -9.39817815
  H     13.01698743     11.53288922     -8.39846416
  O     12.46814823     12.27207444     -8.09317330
  H     11.21681274     12.89105558     -9.28281909
  H     13.05893978     13.03323813     -8.08385175
          69
 Energy    -247.92873577303709     
  O     10.06025923     11.98803518    -11.37383600
  H     10.74710965     12.19534330    -10.71587693
  H     12.56595491     11.83019554     -9.23249828
  O     14.21849218     10.49022577    -12.48346025
  H      9.21989160     12.11216388    -10.94027008
  H     12.63491028     11.58710006    -17.85252048
  O     15.89310144     12.82648197    -14.42193051
  H     13.85212543      9.90833550    -11.80731991
  H     11.29277705     11.49358853    -18.61437566
  O     14.97785619      7.20576251    -11.85307897
  H     15.16042236     10.61436405    -12.31623103
  H     13.85579575     13.99880777    -11.40013815
  O     11.02059852     12.84122136    -13.88263009
  H     15.73205348     13.38235682    -15.19490179
  H     14.08375139     15.31184794    -10.61099800
  O     14.78719686     14.30261459    -16.58239201
  H     15.09508290     12.93969653    -13.88529717
  H     17.34468668      8.33290573    -13.97698473
  O     15.95008915     10.47634607    -16.05166193
  H     14.84275109      6.90105586    -12.75895900
  H     16.37443491      7.59298158    -14.90455254
  O     13.79356933     10.46776187     -8.77913852
  H     15.84079262      7.63718642    -11.85167706
  H     15.18172861     11.59701533     -9.49465230
  O     13.57555347     13.08749667    -12.86958028
  H     10.59132719     12.66683212    -13.03605770
  H     15.26805153     13.03822209    -10.02627248
  O     13.73141365      9.30149640    -14.89532722
  H     11.07568562     11.98728648    -14.33863196
  H     12.10067543      9.96706442    -15.13093252
  O     17.50381470      8.60727694    -12.09672506
  H     14.94993988     15.15161422    -16.98522492
  H     11.21251280     10.74194048    -16.11028191
  O     12.01914073     12.54217121     -9.58636276
  H     13.83194395     14.26247509    -16.39564642
  H     14.21411213      7.59005055    -14.77074509
  O     11.66661279     11.59956967    -17.74365475
  H     16.48310738      9.74545624    -15.70538727
  H     14.16670973      6.09776230    -15.17287657
  O     13.99811921     14.36781482    -10.51023421
  H     16.03061904     11.22593134    -15.44762544
  H     14.57627347     12.68772890    -17.61867984
  O     17.08933764      8.24108093    -14.90285748
  H     13.84763621     10.05063240     -7.92284805
  H     14.96827778     11.22065727    -17.42672464
  O     15.77656528     12.22421352     -9.92404505
  H     13.49235868      9.78457659     -9.40284315
  H     10.58677639     10.26994072    -12.01925617
  O     11.23580057     10.39735467    -15.20859097
  H     13.72474384     12.15542700    -12.64408999
  H     10.91200100      9.60857034    -13.36255560
  O     14.64301000      6.72726409    -14.63792871
  H     12.69919339     13.12417021    -13.27201847
  H     16.61666480     11.69058977    -11.38364311
  O     14.37019331     11.79553714    -17.92327443
  H     14.43005688      9.69393514    -15.43631507
  H     16.77168451     11.89104249    -12.93854183
  O     10.94073341      9.46109398    -12.41153828
  H     13.85587534      9.66886967    -14.00698670
  H     11.85794601     13.26867213    -16.81693033
  O     16.90025758     11.26963494    -12.21242185
  H     17.38934727      9.57223761    -12.11737844
  H     11.64540257     13.79326698    -15.39325686
  O     12.09580025     13.99252776    -16.22344192
  H     18.30588880      8.43870563    -11.60790664
  H     12.24142698      8.82502899    -11.29251625
  O     13.01140472      8.72743858    -10.71234867
  H     12.62812395     13.25884134     -9.80193761
  H     13.61868200      8.06414225    -11.07661813
          69
 Energy    -247.92864627308552     
  O     12.49290971     13.70767561    -14.38633759
  H     11.70090022     14.00473303    -14.82659756
  H     13.73829217      8.36350950    -14.38116235
  O     17.01287051      6.57182550    -13.73672893
  H     12.76571668     12.89604078    -14.84433962
  H     17.14587909      9.93204426    -14.47945084
  O     19.55192139     10.54936231    -12.03944075
  H     16.96766531      6.77263391    -14.67600653
  H     18.49506111     10.22344853    -15.17959825
  O     17.60714074     13.21954380    -15.05859364
  H     16.17594467      6.13811776    -13.52605122
  H     15.68949026      8.67837136    -17.85326229
  O     14.38175287      5.59215133    -13.19632229
  H     19.17154444     11.15318157    -11.39046632
  H     15.56991754      9.03121103    -19.35134183
  O     15.95908888     10.74629681     -9.44835356
  H     19.10212797      9.70245659    -11.91425031
  H     16.81274549      9.72228184    -12.44217914
  O     13.87755352      7.55807213    -11.42367720
  H     17.04777586     12.82120559    -15.73583084
  H     16.41894251     11.22590973    -12.73272612
  O     14.05960650     14.16290240    -12.21853504
  H     18.40232792     12.67405813    -14.99696172
  H     13.00948421     10.71038033    -16.10276911
  O     12.77078934      9.24188932    -17.12159597
  H     14.00166684      4.75787477    -12.93671734
  H     14.29532309     11.52406214    -15.83780238
  O     16.01493843      8.08354726     -9.63301235
  H     14.17017590      6.23369354    -12.49305653
  H     17.29063753      8.14832360    -10.99629930
  O     16.26611155      7.70841964    -16.42200970
  H     15.18133633     11.10519209     -9.90123127
  H     17.61622017      7.69621907    -12.45576307
  O     13.82116509      7.64790565    -15.02408808
  H     16.70734338     11.30882987     -9.67344244
  H     14.60091911      9.96089349    -13.08797650
  O     17.64247649      9.78997705    -15.30031793
  H     14.56755732      7.76467389    -10.77999526
  H     13.39379947     10.41392197    -13.93648931
  O     15.31241367      9.31929864    -18.47919039
  H     13.65704186      8.37897238    -11.87726951
  H     15.76321621     13.48508346    -12.44066931
  O     16.27480045     10.30765135    -12.99281017
  H     13.49233329     14.04283136    -12.99963716
  H     16.96298689     13.22362801    -13.41684493
  O     13.39182727     11.38542700    -15.52331648
  H     13.83732324     15.01239522    -11.84609743
  H     19.76110218     11.11482692    -13.66949562
  O     17.81493459      8.36074274    -11.77836961
  H     12.98290237      8.54964330    -16.48054501
  H     20.72901276     11.45811365    -14.82613902
  O     13.63990800      9.84822764    -13.19252976
  H     13.51942693      9.26386307    -17.73060652
  H     17.62793654     12.73518840    -11.12434176
  O     16.62605004     13.06188653    -12.52237717
  H     15.99059517      9.05002285     -9.50089278
  H     18.49484661     13.14245622     -9.90848906
  O     19.80472890     11.39714792    -14.60132319
  H     16.08690181      7.68860429     -8.76852347
  H     16.56696771     10.92111271    -16.19824025
  O     18.13523150     12.38854865    -10.36931020
  H     16.82199268      8.40716748    -16.04161727
  H     15.70660306     10.95677310    -17.46119881
  O     15.94990187     11.48328453    -16.69060768
  H     15.43368116      7.69745351    -15.92656521
  H     13.53778540     11.05571998    -11.63055099
  O     13.76413683     11.64033637    -10.89909338
  H     13.90672026      6.83536918    -14.50986268
  H     13.77663014     12.53010718    -11.27102911
          69
 Ord_Energy   -247.928619    
 O   -2.97564554       2.04826355      -2.62608385    
 H   -3.04813886       1.68204737      -3.51632643    
 H   -2.04567051       2.28433228      -2.49575377    
 O    2.03940606      -2.09766030      0.183642134    
 H    1.26110053      -2.61024308      0.430273801    
 H    1.88666165      -1.84088469     -0.736339629    
 O    2.84658623      0.223677024       1.34870589    
 H    3.78663111      0.197777435       1.50902963    
 H    2.59849262     -0.655536473       1.00770187    
 O    1.10460389      0.146430805       3.63875031    
 H    1.70942819      0.337544054       2.91179466    
 H   0.543899357      0.921693027       3.76701641    
 O    1.02078021     -0.632534146      -4.99419355    
 H    1.59521544     -0.710102856      -5.75057602    
 H   0.685083330      0.282264292      -4.98469639    
 O   -4.53484583      0.619175494       1.62175429    
 H   -4.21557856      0.294405878      0.770566344    
 H   -4.66704655       1.56703103       1.50702524    
 O   -1.68143404       3.30546284       1.63931775    
 H   -1.40608752       3.93225837      0.959859908    
 H   -1.47763598       2.41452360       1.30961311    
 O  -0.321348697       2.90334630      -2.25297976    
 H   0.300715894       2.37683702      -1.73125112    
 H  -0.516940355       3.69483066      -1.73760259    
 O   -1.67540860      -1.51968753      -4.49624586    
 H  -0.750087142      -1.38295054      -4.73434639    
 H   -1.67666054      -1.83026171      -3.58161044    
 O  -0.535113692      -3.29671168      0.651405334    
 H  -0.736336052      -4.15933037       1.00502312    
 H  -0.704266250      -2.65555644       1.36531365    
 O    1.10886216      -1.06711125      -2.24785948    
 H   0.206030697      -1.37835193      -2.08458495    
 H    1.20710278     -0.965949476      -3.20187569    
 O   -1.44929957      -2.02346706      -1.70989466    
 H   -1.20785439      -2.56440639     -0.947672665    
 H   -2.10862994      -1.38432360      -1.40300202    
 O   -3.76552510       4.32454157      -1.20669651    
 H   -3.66056657       3.53734040      -1.75968552    
 H   -4.18392658       4.03249788     -0.387387186    
 O    1.28719819       1.22317553     -0.752092123    
 H    1.27669907      0.442329437      -1.32765412    
 H    1.92344844       1.04744196      -4.78852987E-02
 O   -3.10875988      -8.26483965E-03 -0.763064325    
 H   -3.20125580      0.673499584      -1.44187164    
 H   -2.38266134      0.285861611     -0.190934971    
 O   -2.85220408      -2.89103501E-02   3.73995852    
 H   -2.33062816      0.758065581       3.92780876    
 H   -3.49537516      0.206298441       3.05357289    
 O  -0.125647530       1.82089114      -4.87200832    
 H  -0.115546733       2.30005884      -4.03344107    
 H   -1.05273485       1.63168633      -5.06436682    
 O   -2.81898427      0.855581701      -5.14014387    
 H   -3.41019726      0.755680561      -5.88103008    
 H   -2.48892188      -3.41466218E-02  -4.91961336    
 O  -0.989255190      0.805331767      0.785774291    
 H  -0.888867617       6.72242120E-02   1.40013146    
 H  -0.179094657      0.891920090      0.267900795    
 O  -0.907847285       2.20669055       4.06249571    
 H   -1.14363861       2.71734214       3.27241158    
 H  -0.916006923       2.81745791       4.79621744    
 O  -0.851321757      -1.40491390       2.54423690    
 H   -1.64289546      -1.08312535       3.00219274    
 H   -8.81319791E-02  -1.02727211       3.00583315    
 O   -1.23001957       5.00684690     -0.581471801    
 H   -2.15849471       4.85965443     -0.842461050    
 H   -1.05874848       5.93976259     -0.677273989    
 O   -4.45167017       3.47716260       1.42303944    
 H   -3.49633050       3.43080544       1.59336662    
 H   -4.83442497       3.99354053       2.12875080    
          69
 Energy    -247.92858063925871     
  O     15.93415095      8.78637591    -15.96947087
  H     16.39648440      8.75978913    -16.81788890
  H     19.86605051      5.43860929    -15.39335298
  O     13.41282762      5.61610513    -17.70598278
  H     16.50462118      9.24048007    -15.33678608
  H     18.79529901      5.60662624    -17.57903164
  O     17.88739875      5.84747085    -12.83741362
  H     12.55161700      5.57999805    -18.11281491
  H     18.09230402      6.24488058    -16.36392533
  O     18.14225081      4.26651639    -18.50538121
  H     13.37401545      6.31228784    -17.02518037
  H     17.01530780      6.05966260    -14.43934093
  O     12.61506261      6.49930024    -10.60538716
  H     17.52065051      4.99865522    -12.55359761
  H     16.27398458      7.01407768    -15.44070448
  O     14.29375145      4.12617109    -13.42346161
  H     18.70999559      5.66006650    -13.30943957
  H     14.20198317      8.11811336    -15.90838017
  O     16.35413804      7.98788790    -12.21331887
  H     17.32689353      4.70130630    -18.79947206
  H     13.47748212      7.28760689    -14.83822313
  O     18.65099495      2.82917657    -14.26518089
  H     17.87219881      3.52566155    -17.95130591
  H     16.19631574      3.86603566     -8.74690835
  O     13.26433016      3.86890377    -10.81068058
  H     11.76644878      6.66127527    -10.20327570
  H     15.77339931      5.03606301     -9.66565277
  O     19.74913052      8.10676162    -14.91655869
  H     12.73771962      5.53299771    -10.63151757
  H     14.40397066      4.40753122    -16.70734702
  O     17.11618473      2.30242636    -16.63908347
  H     14.42357631      3.94781412    -14.36281930
  H     15.63795639      4.75648006    -15.84651727
  O     20.01825435      5.19560792    -14.47474318
  H     14.18536092      5.08454083    -13.33924185
  H     15.86601419      3.59408095    -12.67850472
  O     18.85219399      6.35089760    -16.95920525
  H     16.74338409      8.71543181    -12.70873032
  H     16.52979780      3.51282669    -11.28500446
  O     16.64174566      6.12857889    -15.32728487
  H     16.95675269      7.23645843    -12.33946961
  H     14.41583078      6.78600581     -9.98487868
  O     13.46096535      7.51155099    -15.77796533
  H     18.00578088      2.85131290    -13.54757631
  H     15.76229053      7.29177563    -10.53528515
  O     15.88042555      4.06909876     -9.62333299
  H     18.16728361      2.58529548    -15.06353881
  H     15.04181650      5.80130856    -18.69273830
  O     15.05029478      4.02603607    -16.10114182
  H     14.09334644      3.78021078    -10.32403129
  H     16.23272875      6.74760989    -18.93657192
  O     16.70777128      3.42581033    -12.23019998
  H     13.49933004      3.77937785    -11.74467719
  H     14.73766917      7.31874786    -12.81565495
  O     15.37025282      6.74275695     -9.84504533
  H     19.52981996      7.69767858    -15.76414002
  H     13.35596942      6.85889797    -12.28284883
  O     15.91141000      5.85608373    -19.10659238
  H     20.12066062      7.38144209    -14.40546410
  H     18.48675118      9.18464207    -14.29661910
  O     13.91134805      6.88678255    -13.07232393
  H     16.31904294      2.83366225    -16.47532812
  H     18.08540618     10.60675777    -13.84315889
  O     17.73467479      9.73783450    -14.02228891
  H     16.81897682      1.43248287    -16.89584679
  H     17.85119615      8.73153749    -19.02312516
  O     17.37953111      8.28068539    -18.32644262
  H     19.67176503      4.29107276    -14.38986841
  H     17.99320012      7.62968090    -17.94959041
          69
 Energy    -247.92849029564610     
  O     18.95821606     10.36124069    -11.97474772
  H     19.88539730     10.50111246    -12.20061203
  H     18.24384267     14.91995822    -14.67250480
  O     14.01398177     15.86225216    -13.21428111
  H     18.58872750     11.25433838    -11.89690532
  H     15.25609943     10.12308460    -12.45508908
  O     20.35433482     14.01318656    -12.50358200
  H     13.52826970     15.27663069    -13.82539023
  H     15.03149001      9.67506135    -13.93591513
  O     17.12221018     12.08221157    -16.94183125
  H     13.50861077     16.66735293    -13.14221247
  H     17.36614188     12.78428946    -12.69661196
  O     19.98841128     11.97333678    -15.37066558
  H     20.88113758     13.20927102    -12.56462320
  H     17.24869121     12.90543407    -11.14847896
  O     16.28636595      9.96320120    -11.03516553
  H     19.49303906     13.72456713    -12.16501024
  H     13.00856274     13.11130113    -18.07516540
  O     18.27428247      9.74823882    -14.65301218
  H     17.98086717     12.00420376    -17.36932748
  H     13.93919419     12.23031102    -17.21383962
  O     21.39999276     11.33518274    -13.08356281
  H     16.81949558     12.98836808    -17.09944635
  H     16.10687133     14.95424358    -16.34933284
  O     19.70883105     12.30970661    -18.12871277
  H     19.62963261     12.84531026    -15.15154716
  H     15.17418797     14.25820885    -17.37367533
  O     12.76813817     14.06036859    -14.78796297
  H     20.09769424     11.97174427    -16.32921275
  H     13.42364204     13.07971321    -11.84837556
  O     15.94401371     12.56915219     -9.88800146
  H     16.16747536     10.77479556    -10.52483180
  H     14.04501330     14.49053353    -11.88292678
  O     19.14247910     14.63944279    -14.88820601
  H     17.22862039      9.90749681    -11.23860366
  H     16.27860273     14.17723934    -14.39094600
  O     14.75848926     10.31349933    -13.26577264
  H     18.43194300      9.82651521    -13.70295771
  H     15.66409373     15.54999775    -14.04457990
  O     17.87321984     12.92044126    -11.88389885
  H     18.78820154     10.46339563    -15.04392464
  H     11.79585551     11.32828413    -12.77253764
  O     13.61065630     13.13860483    -17.33534706
  H     22.29098957     11.05529148    -13.27735572
  H     13.29890328     11.25525252    -13.12914144
  O     16.05239765     14.64364357    -17.26566154
  H     20.97292630     11.51252410    -13.93917451
  H     15.93084522      7.76723293    -15.36479718
  O     13.97930972     13.69021919    -11.34888932
  H     19.49282332     13.25911046    -18.07076835
  H     16.73524119      9.06140458    -15.10560195
  O     16.37404161     15.13126694    -14.54377248
  H     20.06802289     12.15876923    -18.99787876
  H     16.73716181     12.15121870    -15.05380228
  O     12.54766170     11.86274013    -13.01472431
  H     13.03622413     13.75780044    -15.66350592
  H     15.77997086     11.73238752    -13.90233606
  O     15.84011789      8.71136414    -15.26849345
  H     12.62059903     13.26747377    -14.25653091
  H     19.10425116     14.90874994    -16.72764547
  O     16.38428120     12.42359182    -14.19744440
  H     15.20856618     12.98871579    -10.37013610
  H     17.94564703     14.96680523    -17.73998604
  O     18.90122524     14.85322580    -17.67354708
  H     15.88846188     12.86714541     -8.98430201
  H     14.93566732      9.91718748    -16.50966952
  O     14.76865187     10.69275175    -17.05401749
  H     19.64174073     14.60161776    -14.05918069
  H     15.63889436     11.11370297    -17.13710670
          69
 Energy    -247.92837261987279     
  O     16.68693122      5.23304309    -13.00102002
  H     15.86708475      4.81550159    -12.71107570
  H     15.52638254     11.55454995    -14.33358620
  O     13.65651654     11.46899981    -11.38376826
  H     16.85538988      4.95637376    -13.91332906
  H     16.14198430      6.97758342    -12.74751307
  O     16.08505685     12.34524076    -12.75316085
  H     13.13786071     11.30499081    -12.18207050
  H     14.94767979      7.98938583    -12.64074769
  O     11.76216863      7.34747096    -16.40667363
  H     14.50369607     11.79616013    -11.70806438
  H     14.24187753      7.06162847     -9.89703677
  O     17.39988607      6.41462952     -9.32361048
  H     16.34670124     13.25469650    -12.63228710
  H     15.51680678      6.20502595     -9.74315205
  O     13.33398538      6.16328799    -14.34080220
  H     16.82942834     11.79954965    -12.44378445
  H     19.00077811      7.17730559    -12.20934162
  O     12.68912036     10.60168613    -13.89928679
  H     12.17726611      6.82536659    -15.70884050
  H     18.16557527      5.88255970    -12.15835388
  O     13.65149987     10.42525081    -17.35796375
  H     12.40716714      7.39986538    -17.12310855
  H     13.73466705      3.69639318    -11.79559198
  O     17.03528881      4.64941336    -15.65600629
  H     17.96449304      6.38513510    -10.11714748
  H     14.21890529      5.09849682    -11.36616438
  O     16.88643083      8.73828231    -15.01781632
  H     17.90224720      6.02301553     -8.61441642
  H     18.57802879     10.11715253    -12.41032250
  O     15.33985110      6.73033416    -16.24159466
  H     13.53847742      5.43666512    -13.74275218
  H     17.70321667     10.23213682    -11.14955392
  O     15.21162329     10.99232896    -15.05407279
  H     13.16158516      6.91649520    -13.75343059
  H     18.50497344      8.68134477    -14.15882581
  O     15.91004560      7.91173549    -12.65439829
  H     12.04288984     10.46571111    -14.60233332
  H     20.04027562      8.70763537    -14.02020923
  O     14.59256080      6.17280537    -10.02143232
  H     13.54939310     10.73210416    -14.32409882
  H     16.48894034      8.62863057    -11.10928041
  O     18.79909100      6.41579572    -11.65509546
  H     14.23336251     10.74133639    -16.65476454
  H     17.05456011      8.21367749     -9.73635739
  O     14.12804855      4.49868615    -12.12868836
  H     12.75655321     10.43375544    -16.99549848
  H     13.84370511      8.82960098    -18.01196872
  O     18.09063292     10.74905184    -11.87049096
  H     17.18198194      4.04961937    -16.38223725
  H     13.86400116      7.89031326    -19.24238857
  O     19.23128510      8.66222720    -13.51515684
  H     16.46337426      5.35670532    -15.99634037
  H     14.90309707      9.06768777     -9.95517393
  O     16.72887808      8.97365895    -10.23244441
  H     16.54540311      8.54889265    -14.12639533
  H     13.72051695      9.93528605    -10.37822337
  O     13.86476234      7.89554271    -18.28939157
  H     16.47501554      8.07351544    -15.58383187
  H     11.25556282      9.01209137    -16.17842373
  O     13.94105501      9.04743953    -10.05576352
  H     14.66594379      6.54406260    -15.57162051
  H     10.19762472     10.12799387    -16.35831143
  O     11.10487656      9.97190753    -16.11122812
  H     14.88646227      7.08527662    -17.01625927
  H     12.92307733      9.05467497    -13.04297759
  O     13.13544671      8.22915079    -12.58490361
  H     15.83536545     10.25653207    -15.11641742
  H     13.27148987      8.44854459    -11.65343788
          69
 Energy    -247.92833013619429     
  O     17.40622060     11.82042269    -12.82888566
  H     17.42902782     11.25103982    -12.03850535
  H     17.01200095      4.77815245    -12.09579839
  O     14.81844415      6.30175974    -14.74224868
  H     17.75736694     12.66744573    -12.56798127
  H     16.80603479      8.75114435    -13.68067614
  O     13.99911441      6.73245087    -10.19400467
  H     15.24533617      7.01515247    -14.23727002
  H     15.79060750      8.53941561    -12.50584457
  O     18.35138350      7.42705921    -10.57336864
  H     15.52114245      5.91072715    -15.27220128
  H     14.32224639     11.10474554    -13.84813804
  O     17.13880785      8.33448569    -16.56808192
  H     13.98202822      6.17673755    -10.98835341
  H     15.78908451     11.61668846    -13.84493075
  O     10.61964472      9.12275216    -12.05094818
  H     14.77963658      6.47275522     -9.68994161
  H     10.90300742      6.05006388    -13.12236708
  O     12.96062199      8.23351493    -15.34512638
  H     17.76781278      6.98418467     -9.94441684
  H     11.05781960      5.95671600    -11.59390168
  O     14.77916259      9.23349737    -11.13515561
  H     18.31890536      6.87798940    -11.36425424
  H     14.61992506     10.53554547    -17.41234542
  O     10.49534298      7.43227198    -14.37976153
  H     17.64144584      8.86159081    -15.93032300
  H     14.91377848     10.51227674    -15.89505159
  O     17.96834921      6.03345478    -13.21245717
  H     16.30947166      8.80892091    -16.69537481
  H     16.65966789      5.29049849     -8.37332068
  O     17.31361577      5.70330748    -15.95407749
  H     10.78354991      8.51524065    -11.31894943
  H     16.48271993      5.21592856     -9.91067662
  O     16.43116196      4.38276970    -11.43520711
  H     10.41779665      8.56737130    -12.81481754
  H     12.93140854      5.05611117    -12.44843328
  O     16.19643614      8.12224163    -13.27425576
  H     13.46669093      8.82819132    -15.91314945
  H     14.18979175      5.43258032    -13.27589154
  O     15.04088354     11.41278216    -14.41658872
  H     13.52812539      7.46340989    -15.19466656
  H     10.91128956      7.02426969     -9.19644533
  O     11.18651341      5.46127890    -12.41209128
  H     14.45553716      8.41000860    -10.74854665
  H     12.22556356      7.02446376    -10.00687989
  O     14.75196092      9.94746747    -16.67290621
  H     14.10532315      9.55512813    -11.75032831
  H     19.84892769      8.13815614    -12.00835823
  O     16.45771518      5.81690207     -9.14256394
  H      9.83872356      7.38820533    -15.07075647
  H     19.53577526      7.25178418    -13.20774078
  O     13.89951203      5.07463201    -12.42647694
  H     11.32079882      7.72463511    -14.79942836
  H     12.13535318      9.86225518    -12.66823408
  O     11.26401214      7.14042534    -10.07541918
  H     17.33485485      6.76600463    -13.13266816
  H     13.02854338      9.38170509    -13.83194241
  O     19.98829156      8.06802963    -12.95783916
  H     17.89550056      5.74708101    -14.13181254
  H     17.78582275      9.25044121    -10.64905797
  O     12.99774888      9.99622104    -13.08774487
  H     17.63400315      5.20335846    -16.69957051
  H     16.40327154      9.91611655    -10.71248852
  O     17.35275942     10.10776741    -10.73745110
  H     17.28704272      6.63810800    -16.23203968
  H     18.96474433      9.23134158    -13.93481889
  O     18.25489426      9.68214217    -14.41425455
  H     15.53419440      4.44413601    -11.79308186
  H     18.08150058     10.51782844    -13.96401686
          69
 Energy    -247.92826874784114     
  O     17.75556911      8.58211994    -11.16131475
  H     18.50686758      8.66132931    -11.76243599
  H     15.37464132      6.99626187    -14.30465217
  O     12.03839391     11.49459100    -13.42256511
  H     17.83336686      9.27601440    -10.49150765
  H     13.71767185      9.18915874    -17.25199181
  O     19.69626063      9.00388873    -13.13961585
  H     11.48352902     12.17455602    -13.05014931
  H     14.05499995     10.04003815    -16.00528379
  O     11.84202173      8.80221421    -14.36229466
  H     12.59395429     11.15654226    -12.69774139
  H     13.36850281      9.53970917    -11.13561164
  O     15.70640563      6.84725670    -10.41276352
  H     19.29121706      8.57798113    -13.91522956
  H     14.43096209     10.07999164    -12.12745252
  O     17.75343154     10.59812527     -9.25575159
  H     20.61634461      8.75165684    -13.13815724
  H     17.98772247      9.48659229     -7.87205936
  O     18.96583226     12.79564977    -10.46781141
  H     11.76330263      9.71539845    -14.06054443
  H     18.42418068      9.25810287     -6.41660003
  O     15.07221870     11.24155429     -9.36027478
  H     12.48948064      8.82060404    -15.07715830
  H     16.19846688     12.69430787    -12.78311973
  O     11.91210527      6.76949274    -12.57387723
  H     15.81102817      6.75697003     -9.45707895
  H     16.22104319     11.27748205    -13.41199780
  O     18.50486413      7.79495367    -15.25778935
  H     16.45449067      7.38582564    -10.70707044
  H     16.77559321      7.60423177     -7.42292503
  O     14.66419460      6.07881477    -12.97626379
  H     18.24819815     11.35605035     -9.59127823
  H     16.02910116      6.34753073     -6.91914280
  O     15.79297344      7.61990646    -14.91939342
  H     16.81318343     10.83371309     -9.27713118
  H     16.55328185      9.26160315    -12.30465670
  O     13.89876102      9.12972362    -16.31767272
  H     19.07677610     12.46319189    -11.37750449
  H     15.85093232      8.92600521    -13.65141494
  O     13.66615060     10.33893953    -11.59145164
  H     19.63237171     13.46353467    -10.33460637
  H     18.21232394     11.98453191    -13.36028982
  O     18.02141270      8.82326821     -7.16407190
  H     14.58119099     11.04027351    -10.16888367
  H     19.28029216     10.88181766    -13.11924282
  O     16.34981588     12.21776049    -13.61262989
  H     14.72867914     10.62111156     -8.70096453
  H     12.59476650      7.49450047    -11.00441899
  O     16.02697449      7.01055319     -7.60488189
  H     11.85595532      7.49622799    -13.21987948
  H     14.01338632      7.56861792    -10.38092744
  O     15.91387504      9.58650072    -12.95138835
  H     11.14896724      6.21612539    -12.71615572
  H     17.10631568     13.28922352    -10.79436677
  O     19.08362532     11.81442909    -12.97714321
  H     17.54325179      7.69071398    -15.16950162
  H     15.72266800     12.77501388    -10.37720926
  O     13.12094104      7.94329573    -10.33099528
  H     18.72195037      7.49067533    -16.13506244
  H     14.94516918     11.96760628    -14.83995437
  O     16.17420969     13.30707307    -11.04318857
  H     15.06373933      6.19192299    -12.10471357
  H     13.42427596     11.72359036    -14.71674397
  O     14.17651466     11.62383803    -15.31361441
  H     13.71667424      6.21725053    -12.85778635
  H     14.68492862      8.42990717     -7.67572694
  O     14.04745204      9.11302792     -7.91270062
  H     15.11301035      8.03941733    -15.46133365
  H     13.52892448      8.72872826     -8.63247249
          69
 Energy    -247.92823259706711     
  O     10.93587226     10.41453882    -12.29691196
  H     11.24921853      9.79617117    -11.61224803
  H     13.01913246     13.20163579    -16.04260329
  O     16.35523578      7.56439202    -14.48186240
  H     10.00741210     10.55778800    -12.13560447
  H     15.21087502     10.43624747    -13.12978780
  O     17.90677506     11.06488178    -11.97695032
  H     15.93400885      8.39511003    -14.19943359
  H     14.20599323      9.64839807    -14.01506859
  O     16.13756301     13.05735578    -15.53642296
  H     16.12593107      7.48581136    -15.41327571
  H     12.85949751      8.73026366    -10.35275848
  O     16.73989075      8.45673171     -8.42876598
  H     18.17754253     11.78607742    -12.55736754
  H     12.02519352      7.74986478    -11.18291268
  O     15.29217760      6.69835329    -12.05949889
  H     16.97846047     11.22551775    -11.75053221
  H     19.43217981      7.80108834    -12.03607775
  O     15.23239155     11.30986097    -11.52481681
  H     16.36789535     12.24238895    -16.00619820
  H     20.61921276      7.01950675    -11.42562792
  O     17.29187304      6.29294874    -10.24877798
  H     16.85980872     13.19594565    -14.91489225
  H     12.34441752      5.60675893    -12.68097091
  O     16.63376393     10.43778212    -16.25131565
  H     16.83072982      8.55361150     -7.48503122
  H     13.57353188      6.48384680    -12.34959583
  O     15.34002640      8.10542493    -17.16533012
  H     17.48282992      8.93867187     -8.83561417
  H     18.91966587     12.20953686    -14.48423521
  O     19.25220538     10.68942405    -15.31176833
  H     15.98849467      6.42898514    -11.44174760
  H     19.26467983     13.62932725    -13.97603924
  O     13.46468233     12.49768074    -15.57625659
  H     15.70708608      6.87021042    -12.91478693
  H     18.30710264      9.50216660    -12.87803788
  O     15.13444158      9.89959617    -13.92666931
  H     14.96140295     10.53000725    -11.02017871
  H     17.93152226      8.26956181    -13.77320274
  O     11.95338375      8.53874284    -10.63170163
  H     14.43960722     11.77118102    -11.83770137
  H     18.56107674     10.22831638    -10.44528385
  O     19.75535759      7.37001076    -11.22576567
  H     18.16718574      6.54324688    -10.57030095
  H     19.26836567      8.88808657    -10.15213623
  O     12.62212089      6.50982068    -12.55209840
  H     17.10126160      6.89513711     -9.51909522
  H     12.80792575      9.36751040    -15.83228730
  O     18.58825818     12.95725684    -13.95475826
  H     16.12965649     10.37409889    -15.42486370
  H     13.35030919     10.69204766    -16.37917260
  O     18.66051833      8.71776110    -13.32550598
  H     16.34355626      9.68448493    -16.77619952
  H     15.33325238      8.76194892     -9.57143937
  O     18.80314956      9.62207650     -9.73204916
  H     15.21244676      7.68545852    -18.01171951
  H     14.92836204      8.19210971    -10.95446109
  O     13.22980157      9.76287149    -16.60853227
  H     14.55785527      8.66717033    -17.01524398
  H     13.11051150     12.37653717    -13.69057163
  O     14.71274251      8.87325440    -10.30350548
  H     18.41143758     10.57769886    -15.77899099
  H     12.23199142     11.75898449    -12.57433133
  O     13.00479559     12.31449893    -12.73324194
  H     19.29077360      9.94946611    -14.69408193
  H     11.88599201      9.44631530    -13.57085171
  O     12.47918269      8.88935380    -14.09123832
  H     14.40075410     12.75884562    -15.52354660
  H     12.50354479      8.02862897    -13.65588833
          69
 Energy    -247.92819947461416     
  O     13.55558956     13.63666208    -14.44238231
  H     13.21558777     12.97516470    -15.05660375
  H     14.16169299      7.01034706    -15.12505518
  O     17.34089435      6.75078229    -14.39102575
  H     14.33169811     14.01259812    -14.87535420
  H     17.01538307     10.55342138    -14.83788935
  O     19.06588310     10.95482596    -11.95001391
  H     16.49925791      6.30820860    -14.22757651
  H     18.37992397     11.05566476    -15.36315792
  O     17.58667489     13.76002965    -13.66877140
  H     17.25993727      7.15330604    -15.26400074
  H     15.82580650      9.16755580    -18.29678766
  O     14.69682779      5.73955631    -13.90318143
  H     18.77325630     10.03564521    -12.03961610
  H     14.36882530      9.52388659    -18.62712250
  O     15.48013666     10.22351190     -9.96779234
  H     18.32128990     11.43920441    -11.58102839
  H     16.64630302      9.56790480    -12.97875675
  O     14.34088722      6.98748291    -11.53389795
  H     18.34938269     13.27998672    -14.01290936
  H     16.19339174     11.04541442    -12.78239514
  O     13.83272314     13.22193607    -11.74905621
  H     17.05095324     14.01083455    -14.43054322
  H     14.05783143     11.66711746    -16.56222701
  O     12.70085899      9.07184856    -17.71526019
  H     14.47145186      4.81877558    -13.80202852
  H     12.83571719     10.75899928    -16.80390017
  O     16.56681003      7.74631831     -9.94203817
  H     14.54506918      6.16356948    -13.03903758
  H     17.52494281      8.07277454    -11.50312736
  O     16.59407592      8.25411530    -16.73575388
  H     14.62042954     10.09202632    -10.38916368
  H     17.80533939      7.78502654    -13.02108983
  O     13.97956948      7.81241184    -15.63012594
  H     15.86427897     11.00631833    -10.37710192
  H     13.09079952      9.72190245    -12.22747330
  O     17.54612587     10.66043439    -15.64197424
  H     13.79061927      7.77111153    -11.41731354
  H     12.20596519      9.89993289    -10.97667818
  O     15.28084025      9.78014335    -18.80825434
  H     15.10357984      7.11527520    -10.95638128
  H     15.52081011     12.72347681    -11.56155293
  O     16.09973396     10.27200364    -13.35404814
  H     13.69162817     13.36467314    -12.70075143
  H     16.88066280     12.96361371    -12.26460527
  O     13.16631441     11.46865592    -16.24051034
  H     13.33657685     13.90612704    -11.30650221
  H     20.63782512     12.07874324    -14.50859826
  O     17.89318335      8.44285849    -12.31459823
  H     13.10446653      8.51607489    -17.02685816
  H     19.56659974     11.58174917    -13.50878164
  O     13.02211845      9.51102233    -11.28114158
  H     11.97418547      8.57340827    -18.08016822
  H     15.59804687     11.35304908    -17.95189705
  O     16.43651291     12.40519223    -11.60586620
  H     16.22019640      8.65453538     -9.86586033
  H     16.43480126     11.57995691    -16.67679536
  O     19.69889292     11.95815241    -14.39776420
  H     16.88085272      7.49539016     -9.07782698
  H     15.99149593     15.12917227    -16.48909139
  O     15.75497301     11.98526194    -17.23623621
  H     16.99296698      9.06456233    -16.38660061
  H     15.86213972     13.58978721    -16.47820212
  O     15.90477484     14.37650355    -15.90891443
  H     15.71686984      8.16732080    -16.33725424
  H     14.44318669     10.06982702    -13.73114621
  O     13.50001554      9.94973131    -13.93453842
  H     13.77432961      8.50293223    -14.98321883
  H     13.29111159     10.55213966    -14.65911780
          69
 Energy    -247.92818050855664     
  O     10.14823545      5.58823844    -12.83028905
  H     10.43298892      6.44884492    -13.16478909
  H     16.50891028      5.56042281    -13.88174919
  O     14.34252882      4.45629598     -7.93850459
  H     10.65453243      4.94359308    -13.33847555
  H     14.01374867      4.94569529    -11.77110995
  O     16.39931051      8.76620101    -13.32498948
  H     14.68260448      4.31224310     -7.05913915
  H     14.90670953      5.98675300    -12.49108927
  O     17.74607715      4.34058323    -13.21956991
  H     14.95061979      5.08225209     -8.36158838
  H     10.32035477      5.73366327    -11.08463393
  O     16.32076664      9.01912261     -9.41067792
  H     15.74000605      9.01100726    -12.66116875
  H      9.67558592      5.98878039     -9.70235313
  O     11.51357167     10.28795003    -14.91427995
  H     16.26495171      9.35096085    -14.08202647
  H     16.10253888     10.85088253    -16.17609203
  O     13.26352238      6.38535072    -15.13860840
  H     17.97940298      4.82000416    -12.40172073
  H     14.96249910      9.85051070    -15.86355347
  O     16.00555958      2.50811670    -11.94071524
  H     18.56455922      4.10453578    -13.64765083
  H     11.83595320      7.21737096    -10.54203419
  O     13.78111487     11.24844582    -13.45439011
  H     15.67446128      9.31553537    -10.07379734
  H     13.20519201      7.01505617    -11.22765295
  O     18.24458232      5.69535576    -10.97229219
  H     16.32479979      9.67847004     -8.72122667
  H     17.85491829      8.59693168    -12.13351694
  O     15.93094627      6.19787216     -9.39933418
  H     11.41530486      9.46538726    -14.40253814
  H     17.84647315      8.71219879    -10.60743842
  O     15.79831455      6.19127671    -14.04907798
  H     10.63388800     10.59618551    -15.11425873
  H     14.21065794     10.27526524    -12.01894574
  O     14.40883754      5.82192363    -11.68080846
  H     12.82471652      5.53750069    -14.99503624
  H     13.76387596      9.02724537    -11.18880364
  O     10.51559498      5.91977505    -10.14859340
  H     14.17720838      6.28126979    -14.83499643
  H     12.81371760      9.42035110    -16.03402804
  O     15.66448961     10.39460980    -15.46316442
  H     16.60455678      3.09363368    -12.42540719
  H     13.45866430      8.01800473    -16.11699599
  O     12.54323920      7.68771304    -10.99851753
  H     16.43704031      2.32806401    -11.10728872
  H     12.98037825      3.94573900     -9.04081185
  O     18.39637637      8.43379490    -11.34966226
  H     12.95287315     11.04178086    -13.90476640
  H     11.69477007      4.45180083     -9.74670744
  O     14.51168188      9.60783252    -11.38429145
  H     14.46793559     11.13294055    -14.12238788
  H     12.17280143      7.41384208    -14.11203341
  O     13.57142221      8.93765996    -16.38847949
  H     18.45771123      6.62596774    -11.13644141
  H     11.87802398      7.93181945    -12.67315293
  O     12.31920162      3.71852249     -9.71015853
  H     17.53056471      5.71450870    -10.32426268
  H     12.48500410      3.67402230    -13.58338462
  O     11.54787550      7.93075986    -13.58200047
  H     16.05859649      7.14951493     -9.30233117
  H     11.75088229      3.20593754    -14.86164600
  O     11.97587386      3.98186326    -14.35462962
  H     15.40793599      6.06490418    -10.20510978
  H     12.95756966      3.28145954    -11.26947528
  O     13.36458234      3.26276209    -12.15099541
  H     16.12186309      7.08185656    -13.84508722
  H     14.25136195      2.88247189    -12.08306247
          69
 Energy    -247.92817418502230     
  O     -1.35033366     -2.72224310      1.20590714
  H     -2.06391984     -2.08267379      1.09104186
  H      5.06908409     -0.70938308      1.07386764
  O     -1.81136651      0.96300379      2.57862683
  H     -0.95384179     -2.86903492      0.33955452
  H     -2.10211681      0.50469964     -1.48856822
  O      0.25960403     -2.74980641      3.36016682
  H     -2.44891815      0.37468215      2.15789530
  H     -2.43955735      1.83413817     -0.78348678
  O     -3.39158517     -0.73419823      1.00216757
  H     -1.43396832      0.51317680      3.35060949
  H      1.98557947      0.27302590      3.42044465
  O      3.82948668      4.05004447      2.03610591
  H      0.29091816     -3.62232356      3.74263645
  H      2.86489888      1.27854525      4.18407505
  O      4.55200688      1.83255113      3.77995447
  H     -0.36625147     -2.78591713      2.61334616
  H     -2.08816066      4.11368329      3.11317659
  O      5.38388322     -1.76963428     -0.42847296
  H     -3.24689934     -0.12140973      0.25745542
  H     -1.69141985      2.71235924      2.59127409
  O      1.32899436      3.39401081      2.78328722
  H     -4.32740034     -0.91357592      1.03497000
  H     -0.31204849     -3.56381216     -2.03692654
  O      1.35806967      1.25499165     -3.25943834
  H      3.99986847      4.98091164      2.14705233
  H     -0.21958734     -2.07544280     -1.61600189
  O      1.22838562      2.68637100     -0.79424509
  H      2.90005949      3.89909627      2.29206820
  H      0.58574590      1.38452788      0.34765953
  O      2.00909708     -1.06950087      2.02276506
  H      4.45828792      2.64587030      3.26977773
  H     -0.46334647      0.75328200      1.32388690
  O      4.63750897     -0.12740270      1.71353576
  H      4.79919210      1.14915665      3.14247727
  H      4.09956567      1.28760684      0.69213445
  O     -2.79677672      0.95933917     -0.99779816
  H      5.42674112     -1.18861380     -1.19098445
  H      3.91657827      2.81388381      0.68819416
  O      1.95403098      0.95991920      4.09614859
  H      4.50107888     -2.16377593     -0.47838621
  H      3.66303092      0.83806775     -1.29262816
  O     -1.49740629      3.66311778      2.51512096
  H      1.41896430      2.56642084      3.27403938
  H      3.14314571     -0.61336834     -1.48445475
  O     -0.02518083     -2.98682606     -1.33348226
  H      0.38663636      3.57242963      2.70059755
  H     -0.56288606      3.29517359     -0.52527557
  O      0.27414024      0.55462786      0.73306678
  H      2.16891325      0.84263204     -2.90956026
  H     -1.55542842      3.59434612      0.60848354
  O      3.80349287      2.02532528      0.14042131
  H      1.54864051      1.54551168     -4.14685423
  H      2.39942117     -1.87588604      0.37686772
  O      3.45791290      0.16756664     -1.95941131
  H      2.12359389      2.56739350     -0.44927937
  H      1.76833665     -2.56774042     -0.84788112
  O     -1.50510823      3.33485498     -0.31930044
  H      1.23480605      2.33621690     -1.69411284
  H      0.11955077      0.17240933     -2.41943481
  O      2.58296195     -2.16530758     -0.52621524
  H      1.49185916     -1.71532328      2.52241444
  H     -0.20317442     -0.06961440     -0.91606811
  O     -0.42089148     -0.35453762     -1.81763758
  H      1.38995667     -0.49042060      1.54619417
  H     -0.28546487     -1.17927147      4.33198220
  O     -0.50920206     -0.28333695      4.61151550
  H      3.78001803     -0.52603185      1.91428451
  H      0.32792153      0.19864221      4.66532795
          69
 Energy    -247.92817156522759     
  O     18.62035418      8.83749587     -7.66362553
  H     18.71730568      8.05073387     -7.11204228
  H     19.09716455      6.18278889     -5.37204689
  O     18.49904777      4.90657876     -9.95844243
  H     19.49977202      9.20804041     -7.81048032
  H     17.05532166      9.47641188     -8.34047041
  O     19.84528799      5.82896375    -13.22689524
  H     18.15598871      4.58769763    -10.80089586
  H     15.82642990      8.82885329     -9.02387913
  O     18.64368553      8.30946617    -12.92728244
  H     18.61818777      5.86107888    -10.07949211
  H     20.70180057     10.35418423     -9.27904271
  O     22.18886493      6.91274646    -12.30397641
  H     19.40069020      6.68580432    -13.30738074
  H     21.69404748     10.54484743     -8.10614554
  O     17.34997973      4.53163342    -12.44525429
  H     19.13554802      5.20251833    -13.05136838
  H     16.37416526     10.08379200    -12.34659330
  O     21.09520857      9.57622590    -12.73325432
  H     18.64870939      8.10524251    -11.97815280
  H     15.59662698      9.93070220    -13.67636979
  O     20.54584079      5.26533868     -8.05661594
  H     17.78536078      8.69485456    -13.12610596
  H     14.06790060      4.14676704    -12.06096379
  O     14.81474579      3.55776462     -8.98638371
  H     22.93288245      6.51477158    -12.74850613
  H     14.25980391      5.66267101    -12.21946484
  O     21.59636527      7.33584094     -9.60764061
  H     21.39587817      6.44831854    -12.62597179
  H     14.30894144      6.71413049     -9.27486141
  O     18.88165957      7.63446279    -10.23522275
  H     16.85240014      5.35948915    -12.37164060
  H     15.74378101      6.51918290     -8.72476680
  O     18.85760056      6.39399274     -6.27026472
  H     16.71497405      3.82722551    -12.26345221
  H     15.77185785      7.68089781    -12.38222853
  O     16.31317402      9.65852102     -8.93358138
  H     21.65038623      8.79524032    -12.63986566
  H     15.61816246      6.92854397    -11.03631004
  O     21.12094464      9.90583560     -8.52050549
  H     20.22243360      9.22250838    -12.96172988
  H     19.00972652     11.01410725    -10.86386872
  O     16.07687110      9.44198547    -13.01279998
  H     21.06003145      5.93687833     -8.52636589
  H     20.39853796     10.59819034    -11.42048948
  O     13.58363497      4.98083652    -12.09855569
  H     19.94542634      4.89641756     -8.71810607
  H     17.34258162      5.62656627     -7.18557535
  O     15.18831799      7.11186811     -9.25078068
  H     15.47905538      4.02673349     -8.46556863
  H     17.36193692      5.04970020     -8.61714924
  O     15.71443546      6.80256383    -11.99105460
  H     14.06388358      4.16066471     -9.05199831
  H     12.98975099      5.36770802    -10.49422738
  O     19.95053947     11.00997916    -10.66514054
  H     21.93994986      7.26586620    -10.50840697
  H     11.89903536      5.63858479     -9.42860607
  O     16.77335727      5.27751153     -7.87916276
  H     21.63947035      8.25281872     -9.30844426
  H     16.74672537     10.62296521    -10.26395019
  O     12.84152647      5.57342970     -9.55343724
  H     18.56394066      8.09036811     -9.44787324
  H     16.82371530     12.04984798    -10.85846953
  O     17.02304868     11.13594270    -11.04666885
  H     19.83462242      7.52527349    -10.10284306
  H     15.19270585      2.98707750    -10.61412269
  O     15.32296788      2.76213543    -11.55254172
  H     19.51557632      5.96360801     -6.84678056
  H     15.19912641      1.81953052    -11.62642212
          69
 Energy    -247.92807516315182     
  O     16.31265148     11.68736095    -14.27024183
  H     15.77506510     12.11788092    -13.59266186
  H     16.97206381      6.18996023    -11.81769215
  O     15.28968477      6.23017012    -12.58971231
  H     17.08142180     11.31903070    -13.82135001
  H     12.60160492      5.41603185     -8.50757262
  O     11.21681304      8.42843392    -12.47319554
  H     15.39950438      6.52394799    -13.50375627
  H     13.44222529      6.61683448     -8.99891878
  O     13.20040106     10.23152598     -8.37852750
  H     14.34771486      6.07939265    -12.43417039
  H     15.86060219     11.35378826     -9.99776163
  O     18.57467194     10.33826174    -13.04409059
  H     11.84638091      9.15791310    -12.58484076
  H     14.43901473     11.32199571     -9.37073574
  O     12.61181400      8.43186917    -16.63056085
  H     10.82801798      8.26152274    -13.33992232
  H     15.25052682      7.90122893    -11.85318698
  O     15.81936614      7.34900086    -15.09733259
  H     12.51359886      9.74626295     -8.86883663
  H     15.83831508      9.22470208    -11.22700377
  O     13.19277457     10.28714196    -12.69660896
  H     12.76501492     10.63484961     -7.63150005
  H     11.35840472      6.12930563    -14.85663377
  O     17.61241865      7.93598271     -9.18660185
  H     19.45373264     10.67255309    -13.20960731
  H     12.19435943      5.44300539    -13.76294560
  O     13.95685367      5.86928365    -16.54671124
  H     18.53020801      9.45803405    -13.44902666
  H     17.49328568      7.62020436    -14.53192598
  O     14.70085363      7.87953329     -8.81697093
  H     13.25978694      9.02012839    -16.21916139
  H     18.99456968      7.32064140    -14.71234293
  O     17.85670606      6.48347106    -11.55733433
  H     13.07347254      7.59846875    -16.78019293
  H     11.64147349      7.73042746     -9.43807536
  O     12.66265583      6.07104198     -9.19807691
  H     15.38970951      8.21804121    -15.08713618
  H     11.16710661      8.62793686    -10.59302823
  O     15.05248913     11.87174339     -9.87149724
  H     15.29130263      6.78281577    -15.67453610
  H     12.13021964      6.87331717    -12.17137094
  O     15.02684296      8.73917289    -11.42906797
  H     13.82173170      9.75254107    -12.18367252
  H     12.57328484      5.88725715    -11.06464979
  O     12.01047316      5.43221649    -14.71099531
  H     13.47122050     11.20533422    -12.60233875
  H     11.17741175      8.10330292    -15.68196446
  O     18.37450718      7.79223670    -14.16040944
  H     17.75512428      7.34324794     -9.94074106
  H      9.64037216      7.94562906    -15.60523522
  O     11.37378305      8.63243207     -9.64969874
  H     16.72166750      7.76224800     -8.86329282
  H     17.78382636     10.30578627    -11.34411981
  O     12.58189529      6.03001169    -12.01851681
  H     13.95756957      5.16950646    -17.19401035
  H     17.49863162      9.49720176    -10.02619189
  O     10.44525984      7.80133245    -15.11492403
  H     13.28439853      5.63522205    -15.88124879
  H     13.96131023      9.87981365    -14.30991444
  O     17.20723406     10.24305026    -10.57475258
  H     14.79767463      8.11885216     -9.75199448
  H     15.20257233     10.46452182    -14.99496120
  O     14.52677560      9.77797771    -15.08743231
  H     14.29518326      8.65785920     -8.41485462
  H     14.68201367     12.51694790    -11.42223493
  O     14.46689173     12.77026987    -12.33857075
  H     18.20594205      6.91322211    -12.34387324
  H     14.18406928     13.68023934    -12.31398896
          69
 Energy    -247.92788228131968     
  O     20.24536486      9.25996267    -13.84608830
  H     20.32990658      8.30646940    -13.95848408
  H     20.38628961      3.13285805    -14.22753792
  O     20.92387196      5.70987208    -11.56252693
  H     19.95815708      9.41500356    -12.93263832
  H     15.78326458      9.18032045    -14.06052744
  O     15.37773284      7.74020717    -10.17267808
  H     20.30849906      4.97755097    -11.40338112
  H     17.20135099      9.77492546    -14.36051974
  O     12.65701953     10.13164506    -13.00138910
  H     20.76845087      5.99110540    -12.46918894
  H     17.27082367      7.80051585    -13.09344062
  O     18.47695454     10.14679909    -15.63335967
  H     15.78243745      8.58061145    -10.43423812
  H     16.84532652      6.30276207    -13.18592650
  O     11.49946230      7.96555664    -11.50209384
  H     16.10842845      7.14550227     -9.96143275
  H     14.10950163      7.81637556    -13.79580083
  O     18.88337560      3.87531348    -11.04966220
  H     13.14595759      9.68569652    -13.70364265
  H     14.57354046      7.80074445    -15.27429451
  O     13.90092171      6.75099439    -12.31299598
  H     12.12606128      9.44422010    -12.57932093
  H     18.50941981      6.69738927     -9.76952137
  O     17.28230974      3.05305483    -13.32980762
  H     19.18869224      9.90490370    -15.00913773
  H     17.69125434      6.52776405    -11.06885233
  O     15.55080377      5.12733649    -13.82106157
  H     18.75607396     10.93999039    -16.08049904
  H     13.48502387     11.01505380    -11.71236813
  O     19.86233366      6.44176123    -14.18866801
  H     10.61355332      7.74052486    -11.23261201
  H     13.62978839     12.30692694    -10.87534663
  O     19.72457333      3.71836452    -14.59258432
  H     11.94729612      8.33910197    -10.72052498
  H     20.56080538      6.86421852    -10.29657049
  O     16.62450675      9.44056647    -13.66306638
  H     18.37912304      4.56922973    -10.60288013
  H     20.85639866      7.49632979     -8.91543853
  O     17.51454643      6.90188108    -12.83395002
  H     18.31971361      3.55794772    -11.76294683
  H     19.59478023      8.94676267    -10.63134402
  O     14.24290957      8.37732798    -14.57520544
  H     14.45644914      7.06272742    -11.58275813
  H     18.40061744      9.85561093    -11.01611685
  O     17.71331071      6.28510229    -10.12895067
  H     12.99541229      6.99869682    -12.08915098
  H     15.32090480      6.20217666    -17.14484132
  O     13.91218780     11.39742074    -10.92542368
  H     16.80413875      2.22828437    -13.28383414
  H     16.45510457      6.82182492    -16.29443720
  O     20.20872984      7.46408524     -9.61399065
  H     16.62334820      3.74551785    -13.50042483
  H     18.20240848      8.37090778    -16.20493406
  O     19.29500847      9.60371233    -11.27122685
  H     14.87338186      5.54962600    -13.27318908
  H     18.75260927      7.02516413    -15.70595548
  O     15.53546118      6.50041487    -16.26497831
  H     15.49190594      5.50434891    -14.70947878
  H     13.80260096      8.52482418     -9.55118403
  O     18.07538979      7.41569749    -16.26963025
  H     19.06455294      6.58647627    -13.65378578
  H     13.25890493      9.93537623     -9.82948252
  O     12.99520282      9.05803429     -9.52538966
  H     19.88812139      5.50005852    -14.41223266
  H     15.67753643     10.70928103    -10.91738221
  O     16.45855569     10.15400387    -11.03023502
  H     18.88247409      3.43343943    -14.20919021
  H     16.53394767      9.98744621    -11.98347725
          69
 Energy    -247.92765795406052     
  O     12.57337603     11.09682004    -15.72753200
  H     11.91771118     10.63850881    -15.18763459
  H     15.66173896      6.03298538    -15.04482504
  O     15.22644722      6.65325492    -13.41536357
  H     12.89732825     11.82919041    -15.19106669
  H     18.50256276      7.58476230    -14.05175319
  O     16.49518902     10.21665623    -10.81246446
  H     15.79836935      6.84450053    -12.66142612
  H     18.79977110      8.61478829    -12.93508585
  O     17.46007416     11.01756385    -14.66326515
  H     14.32435701      6.61564318    -13.07158187
  H     16.19046723     13.28835857    -16.42607052
  O     13.51247070      6.82509395    -16.96059914
  H     16.21881127     10.29594715     -9.88768699
  H     16.61011865     12.50730480    -15.17094389
  O     13.26504590      8.75097884     -9.15076955
  H     15.75886396     10.53885592    -11.35090399
  H     15.35866809      8.34573566    -14.06870128
  O     12.75986502      6.67840625    -12.18728126
  H     18.04684855     10.94641832    -13.90230242
  H     15.00019153      9.31965839    -15.23384968
  O     14.36799404     10.93718259    -12.44008165
  H     16.75630024     10.36473414    -14.51996239
  H      9.77722109      9.64418415    -14.27546508
  O     17.27706677      9.65008715    -17.12147300
  H     13.23321130      6.29398806    -17.70203607
  H     11.01871762      8.73296884    -14.42195922
  O     14.47612960      6.26722659     -9.94478001
  H     14.36993959      6.46719654    -16.66742367
  H     12.31624891      7.00782492    -15.48778596
  O     18.33078778      7.39742736    -15.97622311
  H     12.76384498      9.00704842     -9.93494041
  H     12.01715623      6.78672501    -13.97407443
  O     15.87183253      5.94972091    -15.98713909
  H     13.61648655      7.87088631     -9.33263932
  H     19.51503564     10.80895661    -11.74794727
  O     18.59860530      7.68519359    -13.09730785
  H     13.20515211      6.36322643    -11.39128730
  H     18.02106843     10.41414820    -11.70139609
  O     16.04781872     13.23408493    -15.48360222
  H     12.54265137      7.60809136    -12.01929516
  H     16.56415169      8.36132516    -10.98059494
  O     15.35714707      9.27168045    -14.33695547
  H     14.13414709     11.76654481    -12.87271140
  H     17.44857225      7.36466078    -11.76169645
  O     10.71925168      9.61366618    -14.12968506
  H     14.65763802     10.33116014    -13.14156547
  H     15.21936483     10.65903752     -7.47137757
  O     11.67521767      7.17785098    -14.78730378
  H     17.47001015     10.24035878    -16.38060705
  H     14.58650270      9.76886782     -8.55577915
  O     18.80555184     10.45190882    -12.27577505
  H     16.31406903      9.63351782    -17.20893067
  H     11.57812314      9.52972186    -12.44865682
  O     16.68602187      7.42000415    -11.16461486
  H     14.71056290      5.52668476     -9.39070787
  H     12.95620011      9.95432299    -11.90284530
  O     15.38454548     10.27665313     -8.32832417
  H     15.30770254      6.61674923    -10.30578073
  H     14.56098911     13.23997263    -14.56887436
  O     12.19902431      9.37688882    -11.72591901
  H     19.10353477      7.13055477    -16.46874908
  H     13.41127826     14.02019010    -13.88841028
  O     13.73705272     13.14068792    -14.06010426
  H     17.97470267      8.18214888    -16.42696312
  H     14.04733046      8.62014025    -17.06204936
  O     14.43893548      9.49409346    -16.93799278
  H     16.73861926      6.35968871    -16.08513585
  H     13.73922212     10.09334419    -16.63322953
          69
 Energy    -247.92754368993582     
  O     14.61757411     14.19849711    -12.20397003
  H     15.19685999     14.31665900    -12.97209838
  H     12.32199471     12.34251224    -13.55178999
  O     12.78170762     11.26973535    -17.28827550
  H     13.72615860     14.26326926    -12.56359556
  H     13.04518616     12.94480943    -16.65697222
  O     15.27513606      8.16947255    -12.87453836
  H     12.28905891     10.64716721    -16.74171657
  H     14.21847509     13.93787427    -16.61052914
  O     18.78994575     14.05954046    -13.09671366
  H     13.67581286     10.90853271    -17.34727254
  H     12.63520085     14.11111535    -14.70799724
  O     11.86252704      9.41391004    -15.25313129
  H     15.05690015      7.26308345    -12.62502301
  H     11.50111802     14.77916855    -13.89557407
  O     14.16173672      5.64873401    -12.32263282
  H     14.66264160      8.74171589    -12.38833317
  H     18.87403356     12.44036644    -14.10667779
  O     12.95316021      5.78827178    -14.75140348
  H     19.52304006     14.65018187    -12.94451659
  H     18.24940048     11.04309325    -13.99595458
  O     15.26323552     11.61361129    -14.43521751
  H     18.29565411     14.01085719    -12.25962282
  H     14.79301151     11.03602722    -10.96988052
  O     13.48493040      9.80250855    -11.46991498
  H     12.70564581      8.95285475    -15.37836833
  H     15.10096916     12.48270604    -11.43286638
  O     14.33207380      8.13183327    -15.51649812
  H     12.03179376     10.13954993    -14.63465502
  H     15.28940402     10.78661496    -16.00542891
  O     17.84651581     11.84109939    -17.18335034
  H     14.40781108      4.76513609    -12.06414149
  H     16.27426172     10.66153155    -17.16741746
  O     12.65693791     11.43894192    -13.54705517
  H     13.74689513      5.58194948    -13.20164900
  H     10.95527518      8.08954497    -14.49492993
  O     13.32871126     13.79171334    -16.27904973
  H     12.08189598      6.16495539    -14.57367166
  H      9.69923794      7.22103886    -14.25616857
  O     12.24751631     14.19163418    -13.81682048
  H     13.45262057      6.48400090    -15.20076547
  H     17.21211084     14.24554141    -14.07663048
  O     18.69573680     11.63927192    -14.61306460
  H     15.57872218     12.52512334    -14.45382489
  H     16.31487444     14.37346158    -15.35167018
  O     15.49333867     11.70035478    -11.01956167
  H     15.88026108     11.11835630    -13.88084722
  H     16.65970498     10.75952672    -12.07717156
  O     15.43186830     10.32535512    -16.84876976
  H     13.07448831     10.38179373    -12.12763011
  H     16.63486550      9.39894144    -12.82349528
  O     10.62407861      7.29828393    -14.03674655
  H     12.90154370      9.03775879    -11.35618857
  H     11.47546651      7.40564815    -12.31336529
  O     16.30019826     14.25451219    -14.39437941
  H     14.73178972      8.18273440    -14.63628499
  H     12.71254048      6.77656309    -11.65212810
  O     17.07352514     10.26083249    -12.79747793
  H     14.80926449      8.74557512    -16.08877139
  H     16.34731077     14.40740719    -11.15142173
  O     12.04550668      7.46408813    -11.53663590
  H     18.58443874     11.60354232    -17.73888652
  H     16.87543259     13.08110476    -10.65441437
  O     17.16856449     13.96923068    -10.89497011
  H     18.15404661     11.74961661    -16.26295235
  H     16.72342876     13.29287262    -17.23984747
  O     16.15539207     14.07604616    -17.16625844
  H     13.56434024     11.49398712    -13.88645677
  H     16.28909514     14.58694431    -17.96131563
          69
 Energy    -247.92750576208732     
  O     12.42590394     11.23496040    -15.18673426
  H     12.74076043     10.55183698    -15.79430935
  H     18.90941471      6.60581987    -14.05219471
  O     15.40727792      6.77242768    -12.91341763
  H     13.12617998     11.89434990    -15.12212916
  H     15.93602030     11.32769736    -17.48225867
  O     17.72604529     10.37317593    -11.70819048
  H     14.66245186      6.90290041    -12.31265612
  H     16.92806816     11.25899905    -16.33887685
  O     17.56792987      9.43450855    -15.90013213
  H     16.20144940      7.00763948    -12.41677560
  H     15.26826388      8.22013975    -13.98732939
  O     12.65273670      6.56852322    -15.89733990
  H     16.92731494     10.75399471    -12.09679117
  H     14.58862250      9.04613516    -15.13777047
  O     15.06817471      9.94900414     -8.87063169
  H     17.78183077     10.71611510    -10.80424548
  H     10.35469135     10.53297921    -12.93347763
  O     13.46803059      7.38872103    -11.03612685
  H     18.30078762      9.56376914    -15.27924256
  H     11.64302296     10.60264325    -13.78831321
  O     15.33773837     11.24263332    -12.85639077
  H     16.77334968      9.28785980    -15.36104562
  H     11.61390980      8.36196961    -13.34017220
  O     15.71702682      7.17615599     -9.30632977
  H     12.38264651      6.83826507    -15.00081395
  H     12.33070025      7.23811740    -12.58144933
  O     17.99782714      6.58125898    -15.54034995
  H     11.98593004      5.96259533    -16.21014341
  H     19.54997861      8.67340786    -13.62237616
  O     15.38397214      5.66101723    -15.44639336
  H     15.25777600      9.00382453     -8.91001520
  H     18.89645047      9.96815126    -13.10232661
  O     19.40949245      6.75391585    -13.22918884
  H     14.40293435     10.11531363     -9.55016345
  H     17.59510833      8.58748733    -11.43785206
  O     16.28708844     11.84954901    -16.75427627
  H     14.09740912      7.17313156    -10.33720024
  H     18.25338977      7.25066159    -11.88188990
  O     15.27698706      9.06124280    -14.46195012
  H     13.43019425      8.35702353    -11.06736144
  H     16.61722588     10.81968670     -8.96342467
  O     11.24202833     10.19073677    -13.00167572
  H     15.28791112     10.45483306    -13.42263688
  H     17.62652361     11.84712701     -8.42060399
  O     11.92411719      7.45210910    -13.42946511
  H     15.12826382     11.99070137    -13.42615914
  H     16.58150118      9.26180320    -17.46105543
  O     19.35743583      9.58701956    -13.86308842
  H     16.42420069      7.29582289     -9.96185420
  H     16.27553113      8.86045347    -18.91655334
  O     17.54569321      7.62479566    -11.34101906
  H     16.05140094      6.56779876     -8.65191811
  H     14.08771648     10.60794319    -11.69261219
  O     17.49402719     11.21101442     -9.11765282
  H     17.11574732      6.18730271    -15.61179786
  H     12.58435976     10.25793633    -11.69202430
  O     15.89930619      9.28897095    -18.15132484
  H     17.90391284      7.50045015    -15.81070427
  H     14.65748274     13.98389713    -15.02982867
  O     13.39373161     10.17885300    -11.17189517
  H     15.39594429      5.87749408    -14.50172815
  H     15.24105159     12.67228346    -15.60339975
  O     14.64363328     13.03588345    -14.92702457
  H     14.49285813      5.88211917    -15.73439295
  H     14.25241518      9.08875583    -17.27129687
  O     13.52299508      9.10344380    -16.63851560
  H     20.16257094      6.17007613    -13.25833789
  H     13.18778326      8.20197488    -16.53510802
          69
 Energy    -247.92749376610317     
  O     14.60501227     10.87994951    -15.16598804
  H     14.30648041     11.78252467    -15.26057039
  H     19.12814014      6.74728807    -16.90904885
  O     13.34177543      4.63880562    -16.38095410
  H     15.41967750     10.90936434    -14.64187428
  H     17.17667875      7.70876572    -16.67477883
  O     18.12799720      6.24961387    -12.24390437
  H     12.49037423      4.32703453    -16.67853856
  H     17.48097600      7.59750368    -18.19012776
  O     16.87736801      6.43951138    -19.37388024
  H     13.35013238      5.60315035    -16.51880579
  H     16.21267740      7.35278087    -14.58659399
  O     14.14868304      6.23259169     -9.78074564
  H     18.90848904      6.50307933    -12.74991996
  H     15.24910026      7.04684510    -15.77750211
  O     14.13275685      4.73919211    -13.64368291
  H     17.46991502      6.94046704    -12.41816595
  H     12.97486627      8.35099817    -13.63621098
  O     16.26759983      8.12110648    -12.92872643
  H     16.81565305      6.28617795    -20.31262921
  H     13.32154570      9.55111683    -14.56357814
  O     17.39731604      4.47421466    -15.77675056
  H     16.43520932      5.68578627    -18.94871781
  H     15.22458991      2.95251473    -10.77951522
  O     13.65749968      3.69648531    -11.05881477
  H     15.09526779      6.00273647     -9.78821789
  H     16.18371181      1.83219637    -10.30616700
  O     18.74699426      9.45857280    -15.14261245
  H     13.93883982      6.50745086     -8.89234269
  H     13.14045516      7.80548273    -15.83673680
  O     15.72823104      4.34734782    -18.00184504
  H     13.87029887      4.61532736    -14.56309727
  H     14.00274471      7.98678444    -17.11961421
  O     19.58032764      6.09694557    -16.36140210
  H     15.06314904      4.48582448    -13.56580620
  H     21.09738647      7.25033222    -13.83924603
  O     17.69784329      8.10578838    -17.39226788
  H     15.35235045      7.93329217    -12.67669351
  H     20.00976326      6.76255526    -14.82326100
  O     16.14980345      6.92829513    -15.45051451
  H     16.38753816      9.06923009    -13.04406678
  H     17.30289077      4.72723053    -12.83948351
  O     12.70877746      8.81590326    -14.44062223
  H     16.93853899      5.32618607    -15.69207291
  H     16.67336736      3.39389961    -12.35771852
  O     16.16248057      2.70481668    -10.68847841
  H     17.28898535      4.04702231    -14.91857381
  H     16.66970877      4.45346826    -10.05760802
  O     13.58128269      7.32487789    -16.55389146
  H     13.65618040      4.51824256    -10.55263614
  H     17.33923062      5.73521348    -10.59242928
  O     20.15375819      7.22320764    -13.97660813
  H     13.65083270      3.96277200    -11.98856821
  H     13.83190432      6.36362914    -12.86885246
  O     16.80272038      3.95166359    -13.13340781
  H     18.49723986      9.11943078    -16.01201028
  H     13.77993423      6.96496009    -11.44037962
  O     16.74048936      5.40526795     -9.91048944
  H     19.24856467      8.75832898    -14.70775463
  H     17.37973539     11.40191894    -13.11009474
  O     13.75185346      7.19557706    -12.37752072
  H     14.87993316      4.36313877    -17.54583970
  H     17.61584932     10.34503201    -14.21917183
  O     16.93314572     10.76860683    -13.66520433
  H     16.38331049      4.19694644    -17.30574337
  H     15.98042247      9.14770826    -17.66470532
  O     15.05239661      9.40083672    -17.61695801
  H     18.93868153      5.38618355    -16.21804634
  H     14.95918403      9.95363019    -16.83086595
          69
 Energy    -247.92742174785297     
  O     15.71180142      8.88835705    -14.86431156
  H     16.23213891      8.97222923    -14.05519241
  H     13.28263036     10.84243319    -13.53357503
  O     14.70349539     12.43602075    -15.66582369
  H     14.87811074      9.34562923    -14.69779513
  H     17.16003079      8.50605874    -17.64313968
  O     19.73578394     11.24635840    -10.45177815
  H     15.48228588     12.30173237    -15.10435907
  H     16.55400242      9.14664800    -16.37348143
  O     20.18620660     13.38695060    -12.21867208
  H     14.05267065     11.80277264    -15.34499370
  H     16.18253747     13.34019198    -11.39715987
  O     13.25579114     11.82046043    -12.09542191
  H     19.99752576     10.55965722    -11.07795120
  H     16.08922367     12.04400555    -10.56139012
  O     17.14956002     10.59180118     -9.99525063
  H     19.93555489     12.08271339    -10.89285922
  H     18.78485886     16.77028128    -14.23713201
  O     17.32216887      9.58117135    -12.62810174
  H     20.68571854     14.18676804    -12.42523226
  H     19.03512367     18.19106210    -13.70405644
  O     15.88727279     11.78551830    -18.11183491
  H     20.35866169     12.76312816    -12.93705895
  H     20.10467757     11.34537227    -14.91260335
  O     19.13268597     13.92833879    -16.71556497
  H     14.08643989     12.15266166    -11.71536922
  H     21.31395883     12.27564757    -14.67893681
  O     21.50572186     15.68935921    -13.16626304
  H     12.56790388     12.35716692    -11.70997017
  H     16.66018850     13.29614101    -18.49823654
  O     18.69738514     11.27107676    -15.98423637
  H     18.07920504     10.87352448    -10.06681453
  H     16.94300836     14.43228411    -19.50908579
  O     13.29455159     10.35028340    -14.37389492
  H     17.04513660     10.19971868     -9.13243838
  H     16.84934759     15.48578048    -15.29247804
  O     17.05951917      9.33559815    -17.18459468
  H     18.27840276      9.45803131    -12.68625397
  H     18.29034392     14.95337608    -15.43292400
  O     15.55911796     12.73882336    -10.97018272
  H     17.13397572      9.82652212    -11.71294622
  H     20.89060988     14.03388029    -15.95581192
  O     19.45693483     17.34649668    -13.83720214
  H     15.37876930     11.99928140    -17.31616338
  H     21.68108574     14.57235279    -14.73965489
  O     20.82230412     11.53749563    -14.29001821
  H     16.27885409     10.92263148    -17.93902601
  H     20.77829503      8.72470472    -12.74577540
  O     17.04715603     14.18558481    -18.59418794
  H     18.52838130     14.12361604    -17.44335791
  H     20.50386129     10.16447335    -13.23423613
  O     17.72020729     15.49474698    -14.86992222
  H     19.02174632     12.98398135    -16.53454455
  H     16.96007393     11.14656568    -13.53353458
  O     21.67518366     13.88096860    -15.41181617
  H     22.25010737     16.19178955    -12.84523913
  H     17.08836130     12.69883842    -13.47789926
  O     20.18198184      9.46213381    -12.64314372
  H     20.80653472     16.32997627    -13.38300773
  H     15.03733434     14.25645795    -16.08194547
  O     16.90737593     11.95258132    -14.06270000
  H     18.27715375     10.57115200    -16.49527587
  H     15.90911823     14.90193129    -17.17293838
  O     15.45335196     15.08902720    -16.34279247
  H     18.04403168     11.55248067    -15.32327833
  H     18.43501282     13.90244641    -12.27101402
  O     17.51172513     14.12251156    -12.45680042
  H     12.43089697      9.95857298    -14.47395793
  H     17.51779657     14.70289454    -13.23047797
          69
 Energy    -247.92739527694178     
  O     14.87709227      9.56455262    -12.26983196
  H     15.59840873      9.53763017    -11.62463166
  H     12.61831645      6.43597978     -9.38624817
  O     16.51177040      4.83567149    -11.07843826
  H     14.12650752      9.98912210    -11.82797514
  H     15.77958941      9.24604453     -5.86734468
  O     13.94423378      5.80865561    -10.56095893
  H     16.53575658      4.61727666    -12.01853840
  H     17.11605356      8.46039990     -5.89622331
  O     18.25387147      6.87390321    -13.68983006
  H     17.11716329      5.58041539    -10.94877733
  H     12.26604138      7.64488972    -12.30959041
  O     16.42635721      3.58980211     -8.60230636
  H     14.77079651      5.34984636    -10.76163476
  H     13.72428896      8.13886686    -12.53122423
  O     16.25227614      8.78810147    -14.53281842
  H     13.67097464      6.27178911    -11.36561840
  H     18.43385186      6.96604614    -11.89570763
  O     18.21936510     10.30192797     -8.12983565
  H     17.65612287      7.56454846    -14.00203139
  H     17.80170793      7.84907083    -10.79781251
  O     15.74678229      5.65278279     -6.91832990
  H     17.79475835      6.03954295    -13.84457642
  H     16.62468186      3.81890178    -14.49235434
  O     16.80962874      9.31467295    -10.32164144
  H     16.41230174      2.64000191     -8.68873662
  H     15.85597862      5.12780128    -14.19234512
  O     15.34523418      7.52203067     -8.93524318
  H     16.50932340      3.94063705     -9.50263373
  H     13.63671657      8.14166747     -5.68078391
  O     13.39462096      9.34280117     -8.26753458
  H     16.38305977      9.52229232    -15.12804951
  H     13.48999897      9.32601883     -4.69698552
  O     11.97326085      6.96535717     -8.89457728
  H     15.76630947      9.13691116    -13.76727175
  H     11.94731528      9.75929017    -10.98151040
  O     16.71306421      9.31402035     -6.09809004
  H     17.63914419     10.02680800     -7.39694500
  H     12.93550307     10.16127572     -9.88004183
  O     13.12360339      7.39222708    -12.67217783
  H     18.67485166     11.08725177     -7.83959649
  H     18.51517705      6.99919836     -6.79200951
  O     18.26342440      7.01193173    -10.94356094
  H     15.96862314      4.87581861     -7.45236496
  H     18.76913735      6.51628231     -5.34325338
  O     16.55395181      4.53249061    -13.86421460
  H     16.55691136      5.95001103     -6.48504171
  H     14.04055877      6.10310420     -6.41416960
  O     13.91665711      9.05836659     -5.50654053
  H     16.30380242      8.67186611     -9.79609908
  H     12.65946187      6.46916617     -7.01089290
  O     12.69519847     10.33922181    -10.80045516
  H     17.30978008      9.83650826     -9.68310225
  H      9.89218359      8.04861989    -11.22782408
  O     18.08312763      6.80042833     -5.94080761
  H     15.56533385      6.95644537     -8.18503164
  H     11.10083418      7.68204277    -10.33927019
  O     13.19486433      6.53154126     -6.21382464
  H     14.86680119      6.96462734     -9.56411369
  H     18.98148773      8.51544810     -8.31528120
  O     10.84069864      8.12553631    -11.16304931
  H     14.15425191      8.78619374     -8.49907213
  H     18.97574911      7.24537549     -9.19425384
  O     19.15373137      7.56581665     -8.30106904
  H     13.45756048      9.47289596     -7.31485594
  H     15.26018683      7.18238593    -14.82172696
  O     14.75331904      6.36916079    -14.70101955
  H     12.40987178      7.79377054     -8.64434289
  H     14.04351021      6.60565070    -14.08926115
          69
 Energy    -247.92737202984560     
  O     16.69684241      8.66262591    -10.80299438
  H     16.72849833      7.71151616    -10.64894562
  H     13.60628078     11.22288316    -14.06892564
  O     10.58558927      8.20098294    -11.36995932
  H     16.68544534      8.78890739    -11.76039945
  H     12.00753230      9.56431888    -14.25075818
  O     12.91291810      3.51667140    -13.44906507
  H     10.32994139      7.27350832    -11.43074430
  H     11.33391517      8.21895583    -14.67621610
  O     13.90986432      6.98306408    -16.49264420
  H     10.83578535      8.47529060    -12.26335362
  H     15.54649069      5.12607519    -13.89108792
  O      9.99674023      5.38829634    -11.51658665
  H     13.52014081      4.17345886    -13.82446908
  H     14.42584087      6.19952600    -13.82912591
  O     16.19431244      3.83005250     -8.52169069
  H     12.73281396      3.78932091    -12.53829898
  H     14.62258708      8.27059294    -13.07202924
  O     12.28687744      8.80273889     -9.36457512
  H     14.25117501      6.32476620    -15.87270539
  H     13.08991408      8.02795814    -13.27853494
  O     16.88163680      4.52375007    -12.72892388
  H     12.94885018      6.95869446    -16.40873702
  H     15.26457546      9.73165439    -10.36584797
  O     15.19507498      9.34289679    -16.18622777
  H     10.79036861      4.93983121    -11.18093680
  H     13.75535842      9.84532816    -10.00307483
  O     14.16039028      2.26659852     -9.71182449
  H      9.24954666      4.98235365    -11.08286548
  H     14.39747306      2.52061910    -12.77591132
  O     11.09612282      6.94980088    -16.01690228
  H     15.48141211      3.26287204     -8.85029611
  H     15.82775097      2.95682355    -12.40254163
  O     13.13287127     10.81523717    -14.80579920
  H     16.25554584      3.66513766     -7.58380429
  H     13.25221380      7.32178010     -9.88580433
  O     11.56367375      8.76913013    -13.91773906
  H     11.79818979      9.09835429     -8.60175783
  H     13.74426636      7.01067511    -11.31999102
  O     14.72977259      5.41618406    -14.31448806
  H     11.63689380      8.65078203    -10.07543453
  H     11.35664173      4.32361426    -14.13493166
  O     13.90568946      7.63712450    -12.93912505
  H     16.71957238      5.02048003    -11.90855801
  H     10.28923336      5.14619617    -13.39826776
  O     14.50504011     10.33336203    -10.35834583
  H     17.82330951      4.54155902    -12.87969055
  H     12.86391309      5.09841066    -10.58963181
  O     15.15272871      2.29255227    -12.21768304
  H     14.73762252      8.49556780    -16.33197217
  H     12.89500493      3.57360936    -10.29120692
  O     13.68141150      6.64536987    -10.42265360
  H     15.61187377      9.57257691    -17.01226897
  H     14.58793787     11.27422762    -11.78653718
  O     10.62675708      4.94030921    -14.27760411
  H     14.56575359      2.21661542    -10.59777216
  H     15.07370385     12.58751641    -12.44207614
  O     12.39671764      4.26211505    -10.74471365
  H     13.89626333      1.37910330     -9.48317307
  H     16.41281015      5.19437220     -9.69414471
  O     14.74655173     11.71486843    -12.64197861
  H     10.90273290      6.19832416    -15.42785594
  H     15.39799703      6.14724167    -10.36434717
  O     16.31754659      5.84473358    -10.40354382
  H     10.42043220      6.95263550    -16.68970754
  H     15.70467259     10.22711358    -13.22711992
  O     16.03717090      9.36113725    -13.50353899
  H     13.80683455     10.39583607    -15.35491410
  H     15.90191173      9.31522344    -14.45909565
          69
 Energy    -247.92716292583052     
  O     13.80465642      2.77774698    -10.81760390
  H     13.83805208      1.82194051    -10.68630857
  H     15.12388320     10.70561346    -10.55907910
  O     12.07408668      3.24403207    -12.96111437
  H     13.20585111      2.92199400    -11.56562562
  H     14.43539169      7.03627505    -12.52015417
  O     16.42709243      2.92139797    -11.86362590
  H     11.49176195      3.90865666    -12.57506191
  H     14.15140304      5.89544416    -11.50315200
  O     18.69760384      6.96005783    -13.04055930
  H     12.68157910      3.71680281    -13.55099767
  H     12.24052889      5.46337781    -10.55554622
  O     11.46581992      7.21707127    -13.62203440
  H     16.84484105      3.74465978    -11.57900504
  H     13.36334358      4.47905389    -10.13184019
  O     13.01609900      0.67139043    -13.61767059
  H     15.53171327      2.92549782    -11.49863750
  H     15.26472843      0.02365347    -15.77404316
  O     14.03668888     -0.02991789    -11.01076890
  H     18.26416771      6.34534714    -12.42411301
  H     14.47594957      0.65432173    -14.60370057
  O     17.65077058      8.88567155    -11.12722803
  H     19.62399452      6.72958204    -13.05400207
  H      9.86491974      5.57757464    -11.48931967
  O     13.93926286      4.62617705    -14.41916851
  H     11.68784042      6.96792325    -14.52652203
  H     10.98919519      6.10122141    -12.41548203
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  H     12.16956008      7.82140669    -13.34410828
  H     16.35078758      5.76098922    -11.66236190
  O     16.95658723      6.09472759    -15.17801948
  H     13.22839328      0.33334636    -12.73909581
  H     17.28941440      5.89410440    -10.42310212
  O     15.10696765      9.80501709    -10.87269028
  H     12.53970424      1.49906286    -13.47183556
  H     16.41831778      3.18057918    -13.68663524
  O     14.71437566      6.15249593    -12.24525984
  H     14.90919530     -0.04924265    -11.44388845
  H     16.08146824      2.37399408    -14.95196060
  O     13.09892724      5.40952003    -10.11364116
  H     13.97730166     -0.81547726    -10.47437426
  H     16.58673811      1.09825679    -12.14918058
  O     15.34359852      0.63397154    -15.04566593
  H     17.69519559      8.29824902    -10.36175418
  H     16.16709675      0.20314929    -13.32556851
  O     10.77721450      5.44082245    -11.72972700
  H     18.02117892      8.39145502    -11.86728238
  H     13.11187711      5.69035697    -15.57725916
  O     17.20398394      5.48081500    -11.29132900
  H     14.21487501      5.21683429    -13.70213452
  H     12.40824693      5.98064670    -16.92284392
  O     16.31953001      3.25874675    -14.64690691
  H     14.71952180      4.10422064    -14.64392076
  H     14.61683396      8.29567417     -9.67579375
  O     16.37534541      0.18272237    -12.38377480
  H     15.65222500      7.36969054    -15.35268044
  H     14.05313125      6.88169439     -9.33715209
  O     12.64610015      6.37506152    -16.08782186
  H     14.18431681      7.57743938    -15.78533900
  H     16.36630298      7.18747191     -8.91352983
  O     14.68139736      7.55863487     -9.05650819
  H     16.87915780      5.14048356    -15.07157005
  H     17.64820098      6.95441342     -8.07573712
  O     17.32268771      7.00667357     -8.96965440
  H     17.60361302      6.39604032    -14.52925555
  H     14.22402178      9.18161146    -12.36520476
  O     13.75803093      8.63299073    -13.00584341
  H     16.03321957      9.54195797    -11.01611649
  H     14.25814857      8.59548745    -13.83844851
          69
 Energy    -247.92715292676075     
  O     -6.24447261      3.28662459     -2.39863136
  H     -6.38345630      2.36486389     -2.64568289
  H     -6.58702185      0.96894411      2.83088403
  O     -1.96810330      2.85667273     -4.10819635
  H     -6.06552804      3.26133055     -1.44894254
  H     -2.56165222      1.31693107      3.04445360
  O     -5.22688906      2.98974692      0.21787160
  H     -1.83613912      3.14330409     -5.00773216
  H     -3.28550986      0.07814417      2.51138484
  O     -2.90114644     -1.09127867      1.19227647
  H     -2.60870822      3.47272971     -3.70516765
  H     -1.01315838      2.40001594      1.71524082
  O     -0.12229228     -0.34011467     -1.50084536
  H     -4.57560699      2.35164849     -0.11292011
  H      0.24254870      1.94365252      2.47803277
  O     -3.52746160      0.68719676     -3.14631634
  H     -5.65875700      2.53338500      0.94905989
  H     -2.05984493      3.98658753      0.05819095
  O     -4.27971665     -2.68958795     -0.63118707
  H     -1.93625132     -1.16743895      1.20472987
  H     -0.97240731      3.07320096     -0.62077492
  O     -2.28185367     -1.74606412     -2.48810049
  H     -3.26473603     -1.78759258      0.63443599
  H      2.70913562     -0.70398774      0.58677029
  O     -0.11343423      2.35342190     -2.05826117
  H     -0.80799681     -0.90187661     -1.88776285
  H      3.25955940     -1.49683445      1.79759927
  O     -0.20708246     -0.66448323      1.27639883
  H     -0.17753379     -0.44525637     -0.54108761
  H      2.31979797      1.00663502      1.97469058
  O      2.66223722     -0.17655901     -1.08837339
  H     -3.01424746      1.35780476     -3.60959185
  H      2.13437391      2.25288012      1.09750211
  O     -5.98013612      1.11278161      2.10963430
  H     -3.40324961      0.85557363     -2.19693882
  H     -5.29275250      0.51058605     -3.04496730
  O     -3.42372764      0.88771586      3.02695451
  H     -4.97790492     -2.02348297     -0.49521813
  H     -6.65117701     -0.02944424     -3.54740088
  O     -0.71873449      1.82862018      2.43932324
  H     -4.69690932     -3.54384154     -0.55881389
  H     -6.24827163     -0.21041825     -1.03472206
  O     -1.48139122      3.22526528      0.18742918
  H     -2.93257435     -2.16124377     -1.91029736
  H     -6.09490086     -0.09332960      0.51039901
  O      2.58383283     -0.87752933      1.53710388
  H     -2.73329759     -0.98714665     -2.88179013
  H     -2.57294123      1.82299062     -0.20147347
  O      2.01431608      1.92171268      1.99569431
  H     -0.66865328      2.55364983     -2.82108964
  H     -3.16226053      0.40747936      0.09494455
  O     -6.24264739      0.46565777     -2.84127404
  H     -0.15432048      1.39434349     -1.91208266
  H     -3.77605611      5.91756690      0.33082729
  O     -6.10807920     -0.71597205     -0.22433838
  H     -0.39250117      0.18503890      1.70438400
  H     -4.19776076      4.45011374      0.07874573
  O     -3.24194221      1.18176228     -0.47552797
  H      0.71495526     -0.87661176      1.46258722
  H     -3.61501456      4.82472898     -2.04723940
  O     -3.52526317      5.12143419     -0.13060683
  H      2.72387261      0.78653319     -1.06048112
  H     -4.66737638      4.06562655     -2.87362192
  O     -3.77157616      4.43325472     -2.91272147
  H      1.76860710     -0.36594918     -1.40674500
  H      1.50313394      2.64189568     -1.30413163
  O      2.34030508      2.65831160     -0.81266674
  H     -5.08444236      1.08190477      2.49176357
  H      2.83570104      3.40405628     -1.14317407
          69
 Energy    -247.92701272191067     
  O     11.19992761     10.71476212    -12.33773837
  H     12.06642370     11.12457854    -12.16500295
  H     18.05405038      8.18329210    -16.40952228
  O     13.74359519      7.53600188    -15.19302034
  H     10.54290576     11.39018496    -12.19170661
  H     15.79296473     12.04825005    -14.43254727
  O     17.87121566      9.57413065    -10.09835875
  H     13.60588488      6.91607340    -14.46287107
  H     15.08282139     13.40664227    -14.62095000
  O     17.98096250     10.01654030    -17.08046376
  H     13.02017767      8.17473436    -15.14891749
  H     14.93698889      8.57891638    -14.25543809
  O     15.58435444      5.31816831     -9.97271636
  H     18.33981880      9.80921034     -9.30239016
  H     16.07293020      9.64039114    -14.07991864
  O     13.17603561      5.97912422    -13.01346631
  H     17.91148441      8.60264787    -10.17682348
  H     11.90726796      7.88699129    -10.80553862
  O     15.20618243      9.64403989    -11.01396133
  H     18.52221131     10.32147370    -17.80311124
  H     11.10334283      9.06043498    -11.42328087
  O     15.42885291      9.67115178    -17.82468700
  H     17.06844868      9.94315430    -17.41842213
  H     16.80631778      7.66310191    -13.36733668
  O     15.73400777      4.85286052    -12.64328220
  H     15.54960926      4.52212504     -9.44903452
  H     17.78211199      6.97197022    -14.33282611
  O     17.20473766     11.00331465    -14.61013637
  H     15.65150359      5.04021003    -10.90458612
  H     10.59903794      7.24945196    -12.56527509
  O     15.29995892      6.86343991    -17.31566354
  H     13.35665835      6.48333739    -12.20583651
  H      9.64877313      6.36691944    -13.41353167
  O     17.85953337      7.29121723    -16.09930940
  H     12.22907236      6.06285503    -13.18075795
  H     18.54821157      9.75976930    -11.86706453
  O     14.93860714     12.50403995    -14.34611556
  H     16.08556240      9.71026505    -10.62349831
  H     18.63585338      8.75762977    -13.02889777
  O     15.56394041      8.95542846    -13.62742314
  H     15.32647629      9.40774440    -11.94834887
  H     17.13590329      6.37609685    -10.25101495
  O     11.03770600      8.13791694    -11.14418025
  H     14.71377424     10.05996504    -17.30035160
  H     17.85615570      6.82984204    -11.53895333
  O     17.52494031      7.01372526    -13.39947223
  H     15.31000506      8.71456587    -17.79308044
  H     12.72281007     10.36413792    -15.72297819
  O     10.49853150      6.79856374    -13.42478440
  H     14.84670201      5.11738717    -12.92171037
  H     13.87792265     11.36871166    -15.49775708
  O     18.77133652      9.68369003    -12.80354365
  H     16.35264473      5.48089583    -13.03495802
  H     14.29039377      6.67563540    -10.24271424
  O     17.85715637      6.92709378    -10.57740697
  H     17.83549602     10.67025221    -13.95377434
  H     14.21194509      8.16518905    -10.67559373
  O     13.49325812     10.76193194    -16.14158998
  H     17.52736454     10.73777692    -15.48144042
  H     14.10301777     12.05722938    -12.72443523
  O     13.70423440      7.34310567    -10.61952472
  H     14.91836432      6.13092485    -17.79238399
  H     14.19813342     11.11142445    -11.49953787
  O     13.63152740     11.76202741    -11.93577931
  H     14.70493019      7.05454537    -16.56989568
  H     11.08366908      8.36423303    -14.42292804
  O     11.54485440      9.17552954    -14.67105467
  H     17.04390793      7.03901944    -16.55069044
  H     11.44911112      9.76149586    -13.90750874
          69
 Energy    -247.92697856393266     
  O     10.44740809     10.33284455    -10.99672671
  H     11.04758890     10.78408346    -10.37518396
  H     12.61478164     12.36182402     -9.60637401
  O     14.38985795     10.79190104    -12.74791947
  H      9.67630537     10.07418271    -10.49966145
  H     10.34236775     10.19484309    -18.12599557
  O     17.03637275     12.90462142    -13.96018463
  H     15.25336479     10.84668854    -12.32012152
  H     11.57570167     11.05574812    -17.76705787
  O     14.73224912      8.21755166    -10.70849553
  H     13.86280103     10.09502218    -12.33952204
  H     14.01582240     13.63934602    -14.35153124
  O     10.75491309     11.67464057    -13.46302878
  H     17.41904729     12.36800513    -14.66630095
  H     13.86537649     14.19269816    -15.77520520
  O     12.35603033     14.53268530    -16.85617978
  H     16.27549809     13.35220428    -14.34616637
  H     18.49158341     11.30137626    -16.77320702
  O     15.23911573     11.66363055    -16.79961198
  H     15.51279345      8.20888224    -11.27476503
  H     16.97694433     11.33794516    -16.47261700
  O     14.46932240      9.95412561     -8.63992555
  H     13.95291734      8.15937823    -11.27662862
  H     13.43212238     14.79974109    -10.13813178
  O     13.05685415     13.12098621    -12.87827213
  H     11.13656118     10.94721074    -13.97716017
  H     13.36851171     13.70305764    -11.22553656
  O     14.50639981      9.55780703    -15.20571007
  H     10.51009738     11.29715636    -12.60995536
  H     17.17336510      8.51828625    -14.03940224
  O     17.22915095      8.53600944    -12.13163340
  H     11.60597664     14.04641434    -16.46864268
  H     17.47386834      9.39835640    -15.28121301
  O     12.22669651     11.51008871     -9.37290738
  H     12.00817092     15.35912557    -17.18058345
  H     15.12024396     12.89240660     -9.77781771
  O     10.81454556     10.57777618    -17.39138425
  H     14.92796818     10.87820824    -16.32350963
  H     15.41806643     11.50765459     -9.16608074
  O     14.51073611     13.81398984    -15.16419076
  H     15.01077619     12.42535697    -16.24681864
  H     11.36661084      9.75334388    -15.78859398
  O     17.84936107     11.15972642    -16.08179089
  H     14.62010989      9.48649639     -7.82257243
  H     12.73412246      9.46038500    -15.13897021
  O     13.54299322     13.86352924    -10.28314486
  H     14.58150922      9.30632171     -9.35754326
  H     12.71532844     12.99074322    -17.95992970
  O     17.04435643      8.58300597    -14.99419446
  H     12.17104888     12.79979067    -13.08950459
  H     13.76249373     11.87067737    -17.94731521
  O     15.83502263     12.27718235     -9.57485848
  H     13.60052037     12.31785095    -12.81212912
  H     12.18700993      8.80640542    -13.17984245
  O     11.78437943      9.51567211    -14.95154055
  H     14.51130535     10.05424455    -14.37307593
  H     11.74188889      9.19884390    -11.75803894
  O     12.88655568     12.09822855    -18.28512824
  H     15.32608864      9.04381858    -15.21598520
  H     17.06745143     11.87102501    -12.50389110
  O     12.44990861      8.76505350    -12.25200657
  H     17.24511994      9.49839103    -11.98284094
  H     16.69898652     11.65332427    -10.98637005
  O     16.97281649     11.20926991    -11.80253475
  H     18.00032964      8.17905643    -11.69698801
  H     10.33666374     12.19093256    -16.45318215
  O     10.33182312     12.98340697    -15.90174044
  H     12.95361460     10.95814484     -9.05741634
  H     10.33667329     12.65774388    -14.99220421
          69
 Energy    -247.92696060317024     
  O     16.79458439      8.05026370    -16.43377247
  H     17.51125820      8.04183508    -15.78917249
  H     16.68231993      9.57268910    -17.44723101
  O     14.89433707     10.16544092    -11.29894727
  H     16.01644506      7.72935647    -15.96288579
  H     13.98377314     11.89506558    -18.65847984
  O     18.82647416     15.22921010    -14.26221106
  H     14.53146395      9.48852680    -10.71536064
  H     15.23945950     11.37757285    -17.91064243
  O     14.50968551      7.68962854    -14.69246648
  H     14.18634211     10.40149336    -11.91790603
  H     18.22997953     12.77982501    -12.25694965
  O     13.80390885      7.88423506    -10.02760378
  H     18.93134638     14.44526557    -13.69328428
  H     19.13769708     12.25355791    -13.39383484
  O     15.79122292      6.23433603    -10.94687328
  H     19.56169231     15.80651098    -14.07602912
  H     13.67710112     13.93365783    -12.83110188
  O     16.30285221     11.62230278    -14.34314168
  H     13.79276846      7.58170338    -14.05018808
  H     13.66893373     13.59899426    -14.33121331
  O     12.86736372     10.75069094    -13.11518403
  H     14.35729863      8.55447473    -15.10498927
  H     19.27784664      7.57178828    -13.91161899
  O     16.38438547      8.26780209    -12.76197308
  H     13.44538427      7.63725078     -9.17921023
  H     17.91712030      8.25707624    -13.63669270
  O     18.98738611     10.96515293    -14.73393547
  H     14.48899563      7.22987790    -10.24557142
  H     15.36237287     15.18304438    -12.44981830
  O     14.18255928     10.28842082    -15.49966354
  H     15.75551994      5.39504029    -11.40070257
  H     14.72674075     15.45887990    -11.06367256
  O     16.65729899     10.42397752    -17.90741430
  H     16.10744756      6.87919584    -11.59919677
  H     16.98869122     14.00976174    -16.52461915
  O     14.41845959     11.89711283    -17.81063391
  H     17.21079920     11.38173704    -14.56522734
  H     18.31129915     14.49489545    -15.90167215
  O     19.02060875     12.98560838    -12.77278660
  H     16.30653605     11.90475314    -13.41932663
  H     15.93642975     13.19970294    -11.55838689
  O     13.18282667     13.46117194    -13.51249883
  H     12.81500863     11.71664080    -13.12892044
  H     15.95412234     11.64965563    -11.35954595
  O     18.67830411      8.23581582    -14.24226970
  H     13.21075439     10.51939771    -13.99033993
  H     15.62183348     13.00195974    -15.24331913
  O     14.94532403     14.76169445    -11.67578288
  H     15.99699369      9.00242377    -12.26981753
  H     14.81849069     13.22306721    -16.54536811
  O     17.93949099     14.04641958    -16.67272677
  H     15.74889312      8.03477922    -13.45674202
  H     12.45976099      8.88621747    -12.79723315
  O     16.47362102     12.40426685    -11.67022678
  H     19.15425422     11.14674495    -15.66788555
  H     12.88470370      7.82629687    -11.77490544
  O     15.18766619     13.68453798    -15.78140373
  H     18.99155900     10.00821666    -14.60509618
  H     17.01462512     15.63082218    -14.03597659
  O     12.59558695      7.93533734    -12.68747830
  H     14.06717063     10.74994303    -16.33638792
  H     15.69084304     15.15602721    -14.67316826
  O     16.05403563     15.68538833    -13.95195867
  H     14.97575938     10.66920079    -15.08998430
  H     18.73740725     12.60893104    -17.20749746
  O     19.14198722     11.74619920    -17.41408706
  H     17.53328810     10.81406028    -17.81790072
  H     19.81862009     11.90546563    -18.06629241
          69
 Energy    -247.92693699265251     
  O     -9.32174702      0.86363386      6.12930259
  H     -8.62994212      1.17540259      5.52412243
  H     -4.07235928      1.25500863      0.97001276
  O     -5.12474352      1.33985626      5.99176802
  H     -9.55202627      1.61731413      6.68474641
  H    -10.42824926      0.61671195      4.74284709
  O     -6.72810302     -2.04794515      4.27380134
  H     -5.36860641      0.90324766      6.81840846
  H    -10.35017705     -0.09677285      3.38267455
  O     -7.24496970      2.84885830      8.44919014
  H     -5.92941214      1.40112360      5.45129836
  H    -12.44876773      4.77786270      6.20390830
  O    -13.11271212      1.87105195      4.93939845
  H     -6.61419464     -2.99539155      4.28763185
  H    -11.28272317      5.36564277      5.39055759
  O     -7.37427576      1.80834971      4.42879612
  H     -7.03571693     -1.79574757      5.16258074
  H    -12.86791725      4.70904034      4.00021929
  O     -6.09085172      0.39124902      8.45435019
  H     -8.15665220      3.04800600      8.19660943
  H    -13.74082227      4.67590974      2.72089429
  O     -9.83429406      3.27745909      7.43526520
  H     -6.67565884      3.41268437      7.91531177
  H     -6.52456189      1.08167920      1.52381325
  O    -12.63767050      3.17292436      7.28159356
  H    -12.45098950      1.28396874      4.54961638
  H     -7.87745223      1.81704290      1.33174621
  O     -5.67567334      4.17791060      2.02219419
  H    -13.26090760      2.56758709      4.28844329
  H     -8.49875820     -0.41026946      2.19231316
  O    -10.49095640      3.16056322      2.92334311
  H     -7.44116211      1.48572444      3.52128825
  H     -8.30444360     -1.50386901      3.23995241
  O     -4.67835913      1.56733277      1.63711489
  H     -7.31530606      2.77130192      4.40154429
  H     -9.87085882      4.12210555      4.32753167
  O    -10.86079846      0.55843470      3.87805374
  H     -5.74738441      0.19844635      9.32235078
  H     -8.61765207      4.84233118      4.88077647
  O    -12.24356300      5.40088668      5.49554662
  H     -6.57053429      1.23657915      8.52403593
  H     -7.08405306     -0.83613935      7.38735485
  O    -13.09941220      4.17647692      3.21814707
  H    -10.79098336      3.23370528      7.55717009
  H     -8.35396265     -0.62847374      6.55802219
  O     -7.46859906      1.02042912      1.70191555
  H     -9.69206011      3.80001230      6.63160187
  H     -4.59236218      0.27681400      4.52881675
  O     -8.97914269     -1.08268381      2.69638431
  H    -13.34185785      2.98653735      7.89665602
  H     -5.34059040     -0.85516931      3.80087250
  O     -9.55263539      4.67705290      5.05504136
  H    -12.81517192      2.64048679      6.48520914
  H     -5.04221493      3.07420795      6.43373960
  O     -7.62617907     -1.24929983      6.70610022
  H     -5.21755034      4.74032135      1.40120645
  H     -4.39746749      4.33845045      7.05146080
  O     -4.65270938     -0.18669136      3.68373409
  H     -5.30883982      3.28758104      1.90803516
  H     -9.16605685      3.48942795      1.67698960
  O     -5.20494084      4.00363073      6.66953172
  H    -11.38560098      3.51888178      2.86002496
  H     -7.69362559      3.93545006      1.42862052
  O     -8.44328800      3.48266172      1.03143858
  H    -10.57855473      2.23461519      3.19149196
  H     -6.35870541      4.55780390      3.67210382
  O     -6.85688429      4.59350930      4.49940901
  H     -4.61760471      0.93974136      2.38060622
  H     -6.23118618      4.52447097      5.23280378
          69
 Ord_Energy   -247.926926    
 O   -4.69403553      -10.5265408       4.53493404    
 H   -4.46783638      -10.9077044       3.68972301    
 H   -5.54208183      -10.0643225       4.41712999    
 O   -9.91372490      -7.67862511       7.12456799    
 H   -8.99069500      -7.83843613       6.89568758    
 H   -9.89635849      -7.44043827       8.06174564    
 O   -4.56376839      -8.17234039       8.18928337    
 H   -4.40790606      -7.24410534       8.40372276    
 H   -5.38603687      -8.18094254       7.67689371    
 O   -3.32369089      -8.27418613       5.61959362    
 H   -3.55344415      -8.33816719       6.55492878    
 H   -3.68496013      -9.06866264       5.20932293    
 O   -9.66120815      -11.3803902       7.89826536    
 H   -9.21722698      -12.0209455       7.32877636    
 H   -10.3472815      -10.9746962       7.35605860    
 O   -5.79726839      -11.9628935       6.72670364    
 H   -5.52980995      -11.5701818       7.56517410    
 H   -5.30152416      -11.5144062       6.03067207    
 O   -8.31194878      -7.10242939       3.33035088    
 H   -9.08001328      -6.79846001       3.83513856    
 H   -7.66562605      -6.38530207       3.36249137    
 O   -8.50437450      -4.45228243       5.80834579    
 H   -9.30427647      -4.86027431       5.45788479    
 H   -7.84081316      -4.53619480       5.11170483    
 O   -6.53160667      -5.00255966       3.79374456    
 H   -5.80903339      -5.29545069       4.37825632    
 H   -6.16098166      -4.34705544       3.20880198    
 O   -4.60014105      -5.36041117       8.33581448    
 H   -5.57267761      -5.32596540       8.30321884    
 H   -4.31358194      -4.60683966       8.84452534    
 O   -7.28646040      -5.60694265       7.99556541    
 H   -7.75511265      -5.08280087       7.32915068    
 H   -7.18656254      -6.48746347       7.60652924    
 O   -4.56448555      -5.79426003       5.45006990    
 H   -4.50093365      -5.53124523       6.37363672    
 H   -4.08338165      -6.63087034       5.37782860    
 O   -7.12529755      -9.29662609       4.46434498    
 H   -7.45453215      -8.50110531       4.02291250    
 H   -7.83590412      -9.95324326       4.44062853    
 O   -10.0788717      -9.16108608       2.39038754    
 H   -9.41323376      -8.46969700       2.49893284    
 H   -9.75753689      -9.92528248       2.88646650    
 O   -12.2634821      -8.31879044       3.78716350    
 H   -11.5518417      -8.62879372       3.19899487    
 H   -13.0669947      -8.32429695       3.27391005    
 O   -10.5337820      -6.28330231       4.83694601    
 H   -10.3848124      -6.68254948       5.70786905    
 H   -11.2466745      -6.79750013       4.44067764    
 O   -9.09522057      -7.14713478       9.68246460    
 H   -8.45846653      -6.50950670       9.33490562    
 H   -8.64476776      -8.00207996       9.70888424    
 O   -7.86872721      -9.71692562       9.13410473    
 H   -8.51748180      -10.3538771       8.79448223    
 H   -7.04897594      -10.1841516       9.32677078    
 O   -5.16366673      -10.6582804       9.19760132    
 H   -4.83796787      -9.78056145       8.93625259    
 H   -4.59279728      -10.9667053       9.89706707    
 O   -7.10242462      -8.21507645       6.98748779    
 H   -7.06258917      -8.66175652       6.13214636    
 H   -7.39667749      -8.82950497       7.67957306    
 O   -9.24199104      -11.0379553       4.37861300    
 H   -8.91562843      -11.8203554       4.84028006    
 H   -9.93283558      -10.6535244       4.93889570    
 O   -8.19579792      -13.0157299       6.06782627    
 H   -8.13340473      -13.9670076       6.07193565    
 H   -7.31769466      -12.6732321       6.31437778    
 O   -11.1865463      -9.83311749       5.97441244    
 H   -11.7355795      -9.42460346       5.29472113    
 H   -10.7907505      -9.09335423       6.46015501    
          69
 Energy    -247.92687952811227     
  O     -2.86430355      4.24167288      2.90646639
  H     -2.70596800      3.82280892      2.04247635
  H      0.72341206      7.73734459     -4.09906842
  O      1.60665938     10.14797945      1.50339618
  H     -3.51357518      3.70884957      3.35807708
  H      2.34402882      2.43003802      2.43189746
  O     -0.54412323      8.61947352     -1.32171379
  H      0.87724407     10.54560509      1.01131082
  H      1.06723157      3.30507235      2.43699677
  O      0.47185908      9.55034265      3.89625689
  H      1.77939579      9.29884777      1.07374698
  H     -0.96579150      4.52249250     -4.01519423
  O     -1.99089956      9.77281352      2.43252417
  H     -0.64151650      9.47698052     -0.88962326
  H     -0.84579269      3.11551047     -3.33532819
  O      1.52576680      7.58327498      0.31621133
  H     -1.31884053      8.09218472     -1.07544082
  H     -1.01959886      1.42140485     -1.86712824
  O     -2.53816437      6.89240702     -0.54618991
  H      0.96049162      9.83306328      3.10155882
  H     -2.42596925      1.88296845     -2.32525059
  O     -2.47406374      6.97447246      2.23872360
  H      0.88991642      9.96833593      4.64358968
  H      1.30556865      2.46248785     -1.50429858
  O     -0.64175574      4.97876911     -0.88564210
  H     -2.35137873      8.87773323      2.40379248
  H      1.23897974      3.36666863     -2.73958158
  O     -2.27590935      3.20192745      0.45474266
  H     -1.26247487      9.74657748      3.06618660
  H      0.16072173      5.24442579      3.20336823
  O      0.04768041      1.67779935     -0.17893573
  H      0.85303575      7.82955454     -0.33287695
  H     -0.98153087      4.21663288      3.31047521
  O     -0.21478569      7.76301823     -3.92402805
  H      1.84455962      6.69519313      0.10488808
  H     -4.89244528      2.43288886     -1.83425848
  O      1.69151661      2.82739229      1.86126594
  H     -1.85418564      6.21392293     -0.67722170
  H     -3.97448994      3.66791934     -2.00127480
  O     -0.39586601      3.96389289     -3.47680771
  H     -2.65834603      6.97212291      0.40860405
  H     -2.31918594      6.07589603     -5.58854938
  O     -1.55288314      1.62284306     -2.64536378
  H     -2.77063547      6.10777548      2.53992763
  H     -1.43319786      6.60896366     -4.43921072
  O      1.84557435      3.03568033     -2.06365911
  H     -1.51540601      6.98593674      2.38264975
  H      2.03545475      4.27104166      0.68232369
  O     -0.02214129      4.30178874      3.32376008
  H      0.25189929      4.97104373     -0.52392174
  H      2.15181972      4.32414350     -0.85206943
  O     -4.00955778      2.75188458     -1.66977837
  H     -0.58050507      4.65369764     -1.79480089
  H     -3.28212222      5.53231159     -3.28792080
  O     -2.06183719      5.90809020     -4.68561995
  H     -1.69068314      3.84467028      0.02462678
  H     -3.53293451      5.94755412     -1.82319201
  O      2.04696518      4.88169516     -0.06496764
  H     -2.96429256      2.98678789     -0.18815448
  H      0.71949572      7.17848121      1.89701166
  O     -3.79968949      5.31478525     -2.50319543
  H      0.67499088      1.91216669      0.51739882
  H      0.37758251      7.79292054      3.28026392
  O      0.26988468      7.00366261      2.73541180
  H     -0.78633068      2.07132577      0.11048331
  H     -1.24125731     11.77264214      0.07437994
  O     -0.85448164     10.91767378      0.24269134
  H     -0.30871661      8.12962457     -3.03092719
  H     -1.33415919     10.53555133      0.99972197
          69
 Energy    -247.92685017669467     
  O     14.84335671      5.96246825    -14.09682181
  H     15.43925934      5.98684758    -13.33955443
  H     16.82149289      5.33993163    -11.33473351
  O     17.86090031     13.84861999    -11.73061068
  H     15.36107858      5.59711707    -14.82945669
  H     20.26678302      8.63154692    -16.94094648
  O     19.89665826      8.35189188    -13.85816533
  H     18.26478804     13.33991481    -11.01624820
  H     20.61768536      8.97091829    -15.47717614
  O     16.45445941      6.72344656    -18.67184565
  H     18.17656910     13.44269864    -12.54982779
  H     16.79050216      8.62348247    -14.86994351
  O     16.15038118     11.07450954    -10.02864479
  H     19.77417928      9.00078748    -13.15316562
  H     17.06791089      7.16570107    -15.31807965
  O     15.44662675      9.50876860    -13.95214308
  H     19.03004496      8.24872518    -14.28429677
  H     16.00551644     11.56517232    -16.15636431
  O     18.46556031     12.18568921    -13.92354964
  H     15.92459134      7.46205714    -18.31498545
  H     17.31408077     11.15559854    -16.84947601
  O     19.20485800      5.69251351    -13.37172700
  H     16.08978835      6.51178516    -19.52599058
  H     16.72087177      7.83369130    -11.64500435
  O     13.47566503      8.01742965    -15.20481839
  H     16.19287842     10.23042855    -10.49849688
  H     16.15310737      9.04549406    -12.42248478
  O     19.36663573      4.99422644    -16.16825929
  H     15.69336778     11.69637189    -10.60757682
  H     14.44015988      8.49178222    -16.81565926
  O     16.56869072      5.41259709    -16.15990354
  H     14.65783828      9.12220720    -14.35112508
  H     15.47787990      9.52171395    -17.34616125
  O     16.84806202      5.99807081    -12.02531746
  H     15.45538571     10.45829367    -14.12948220
  H     19.01877915     11.96745678     -8.88503936
  O     20.69530255      9.29538740    -16.38550525
  H     18.69713416     11.45216242    -13.33730805
  H     17.79165180     11.62607435     -9.76670716
  O     17.48113682      8.02612450    -15.18176956
  H     18.81629208     11.99187669    -14.80143720
  H     18.20076325      9.68408647    -11.86254547
  O     16.35796556     11.03489871    -16.88091578
  H     19.61367875      6.56883995    -13.41051541
  H     19.10265992     10.77133342    -11.23180550
  O     16.63611935      8.79335464    -11.61970176
  H     19.30280364      5.33076151    -14.25928746
  H     16.12836133     13.53539752    -11.71647848
  O     15.03246832      8.68554627    -17.54967300
  H     12.53348305      7.89574846    -15.12806052
  H     14.66113361     13.92581846    -11.42127163
  O     18.71764661     11.93102661     -9.78845750
  H     13.89637861      7.24243054    -14.78890457
  H     15.36241146     12.60167295    -13.53360572
  O     19.00427862     10.20635018    -12.00716947
  H     20.02258478      4.44505373    -16.59043478
  H     16.68992905     12.23859303    -14.22487263
  O     15.20837551     13.21479709    -11.74480989
  H     19.34413157      5.83101549    -16.66095891
  H     19.61103384     12.16120767    -17.15963505
  O     15.72673225     12.21645197    -14.33947114
  H     17.46688791      5.06200409    -16.12776706
  H     19.76388440     10.76560942    -16.51572875
  O     19.19522910     11.55343474    -16.55286655
  H     16.44661411      5.76814237    -17.05033456
  H     18.44826036      7.80117144    -16.70851509
  O     18.90797613      7.41833651    -17.47370375
  H     17.68508183      5.86162726    -12.50244240
  H     18.20537688      7.21036676    -18.10148893
          69
 Energy    -247.92678815363479     
  O     14.77328285     10.81560693    -15.53609334
  H     15.37429314     10.58283843    -14.82000874
  H     14.30042237      5.13014057    -16.69378230
  O     13.33573500      6.24179367    -15.79919356
  H     15.33159759     10.98768458    -16.30474913
  H     19.53348099      6.31364642    -16.91851942
  O     17.96751886      7.45987002    -12.29644811
  H     13.46362769      6.18450922    -14.84109910
  H     18.77539859      5.56937562    -15.80573464
  O     19.04975721      6.92059665    -18.67828260
  H     13.10244050      7.15877142    -15.97734181
  H     18.79203250      8.56671057    -17.80362827
  O     16.42361167      6.23273946    -18.86232276
  H     18.82281906      7.43021586    -12.74498729
  H     17.83073331      8.69403500    -16.61654710
  O     14.63088371      8.13357245     -9.51133237
  H     17.49132196      8.21196290    -12.66712922
  H     15.85878109      7.87737749    -16.51339739
  O     13.91695167      6.23305769    -13.08749744
  H     19.49718225      6.64793432    -19.47455139
  H     16.68104639      6.84333945    -15.68351620
  O     16.67784351      9.57008974    -13.73821403
  H     18.12319793      6.63195575    -18.76660098
  H     16.58893643      5.19001183     -9.85129085
  O     17.06826700      5.05167480    -15.45032600
  H     15.87164452      7.02284550    -18.77695911
  H     16.53702879      3.68488897     -9.48899647
  O     13.66775298      5.70305891    -10.30069021
  H     15.95480192      5.54465375    -18.37630877
  H     13.48358517      9.66790441    -15.96385810
  O     19.24142565     10.06363987    -14.60268805
  H     14.20811439      7.28304646     -9.72915798
  H     11.99608739      9.39571722    -16.27476711
  O     14.91010056      4.51144255    -17.13714525
  H     14.13523770      8.50949597     -8.78867191
  H     21.20139548      7.28990121    -13.59666934
  O     19.59709063      6.04477320    -15.99562287
  H     14.79460848      5.83392031    -13.02243027
  H     20.08840923      6.98710060    -14.62760830
  O     18.42277811      9.20970603    -17.18686957
  H     14.01881324      7.17190217    -12.86258739
  H     17.02230298      5.93734297    -12.60404234
  O     16.48603680      7.78272626    -15.78737164
  H     17.55600704      9.93118312    -13.92996448
  H     16.40702173      4.69124782    -11.91835705
  O     16.18885292      4.33431542    -10.09325234
  H     16.50940696      8.90013134    -14.42287116
  H     16.36858983      7.38492759     -9.52823361
  O     12.86940143      9.02057947    -16.35186687
  H     16.84245862      4.92306909    -14.51805430
  H     17.54891682      7.13185862    -10.49094932
  O     20.30592484      7.51272001    -13.83674935
  H     16.34507057      4.71070835    -15.99112260
  H     16.67636295     11.64960209    -18.44469791
  O     16.49766405      5.13938421    -12.76773609
  H     14.41008381      5.09831102    -10.17897062
  H     17.20670584     10.40433977    -17.69484016
  O     17.15334146      6.83673946     -9.66021402
  H     13.55562826      5.79502114    -11.25644976
  H     15.16791375      9.21646372    -12.64828594
  O     16.40505939     10.91413220    -17.90170849
  H     19.12858956      9.92743116    -15.55218592
  H     14.52004479      8.74501611    -11.31885857
  O     14.37788912      8.81211558    -12.27144953
  H     19.71745553      9.28179231    -14.29448881
  H     15.38493841      9.34466376    -18.20530950
  O     14.95239107      8.48377757    -18.13949522
  H     14.39990986      3.73817974    -17.36130651
  H     14.11205176      8.63302607    -17.68719622
          69
 Energy    -247.92662804845472     
  O     15.39564660     10.30196470    -15.94920459
  H     14.72549101      9.92718136    -16.51452543
  H     18.38779035     10.63960799    -17.39104268
  O     20.47128103      8.78178499    -14.85399968
  H     16.15924992     10.51219200    -16.51774996
  H     17.20920084     10.62592384     -8.44552584
  O     19.09799512     13.20097025     -9.96499396
  H     19.89054663      8.34471964    -14.22199369
  H     18.09916072     10.37177740     -9.68505526
  O     14.98331418     13.54725879    -12.45383807
  H     20.85886902      9.52549016    -14.36846795
  H     20.72556440     16.43194888    -11.52136560
  O     19.31029232      9.41180847    -10.45543002
  H     18.53970902     12.53036319     -9.55359721
  H     21.49580769     17.38118604    -12.45119182
  O     15.61869040     10.92944650    -11.48579617
  H     18.63588219     13.45380305    -10.77985698
  H     20.49822699     12.02734272    -10.42720228
  O     20.09797859      9.93072035    -17.27135975
  H     14.23478984     14.12482092    -12.33370527
  H     21.94065736     12.10521754    -10.94829648
  O     21.63887552     13.64185068    -14.28128940
  H     15.06496030     13.38474501    -13.41150130
  H     16.11922875      9.66810364    -14.36361722
  O     20.92483448     15.27950591    -10.06813094
  H     19.20996556      8.88595744    -11.25690433
  H     16.18541924      9.93798925    -12.81639181
  O     21.09334476     11.04827329    -13.43037965
  H     20.12108599      9.92890176    -10.54309439
  H     20.72323995     11.72404149    -16.94489112
  O     15.40802687     13.03340450    -15.07392980
  H     16.19410576     11.01836134    -10.71662395
  H     19.97458323     13.02263046    -16.62683138
  O     17.53599816     11.09628190    -17.38056822
  H     15.32696301     11.81797913    -11.72229412
  H     19.72345198     15.96008562    -13.55584102
  O     17.47134352     11.00036522     -9.28269734
  H     20.54957755      9.40810399    -17.92909679
  H     18.72401219     14.79645442    -13.37896582
  O     20.65297897     16.94596367    -12.33887801
  H     20.21123908      9.46805105    -16.42240227
  H     22.22243879     14.27380922    -11.15499414
  O     21.24376764     11.47761983    -10.70348241
  H     21.58030655     13.33744888    -15.19944164
  H     22.50067966     13.70281863    -12.56245861
  O     16.61816460      9.48475929    -13.55847462
  H     20.87308370     14.21611047    -14.15010134
  H     18.39754030      6.97431497    -12.66661544
  O     20.85953949     12.65506083    -16.73184252
  H     21.21147875     15.52214779     -9.19028159
  H     17.89866498      8.37500908    -13.09046147
  O     19.29166626     15.23581510    -14.02891389
  H     20.26448120     14.57687449     -9.95440734
  H     19.33781517     11.31940512    -13.72396481
  O     22.73619639     13.61036426    -11.62954010
  H     21.36163961     11.91327381    -13.76874537
  H     17.84728664     10.83581995    -13.78087859
  O     18.68357041      7.87361124    -12.80938166
  H     21.17184261     11.09352265    -12.46892475
  H     18.51233528     14.24104122    -15.43738121
  O     18.42486697     11.60286831    -13.86321655
  H     15.29795657     12.12087409    -15.36836721
  H     18.27511020     12.72860451    -15.23904920
  O     18.17516402     13.45194167    -15.88238255
  H     16.25484900     13.32854913    -15.42757636
  H     16.79813564     13.79779173    -12.24983406
  O     17.75991794     13.72945296    -12.27454828
  H     17.72307891     12.00236727    -17.10870474
  H     17.97156589     12.92719935    -12.77803363
          69
 Energy    -247.92660776868615     
  O     12.19431749      8.69140315    -13.84178003
  H     12.25999702      7.77516522    -13.52405400
  H     16.45731078      4.41122449    -13.55929419
  O     16.33894353      5.64496169    -12.31759977
  H     13.00389412      9.13200387    -13.56629451
  H     19.29908417      6.56279239    -14.76018618
  O     17.47644493      9.92595329    -12.03716683
  H     17.11682618      6.16404360    -12.06853058
  H     20.78237962      6.72540728    -14.35686442
  O     16.98823566      9.21426128    -15.98539014
  H     15.62528847      5.87011405    -11.70528080
  H     13.98550097     10.34064005    -16.04198234
  O     13.75135385      4.61339813    -14.84680731
  H     17.47821206     10.20880903    -11.11297054
  H     15.51810172     10.42064454    -15.88953519
  O     14.94031174      9.50460490     -8.56649525
  H     16.57558263     10.03157607    -12.36475833
  H     15.84605665      6.84230532    -13.63287268
  O     14.33785483      6.49142975    -10.61277049
  H     16.56944252      8.61690147    -15.34710389
  H     15.03363297      7.17183966    -14.92380759
  O     14.81528238      9.86231330    -13.07629691
  H     17.79061614      9.54115022    -15.55495704
  H     17.98419627      8.61363263     -9.03651834
  O     16.75008526      7.20165523    -17.78785040
  H     13.81135333      5.24305295    -15.57847978
  H     18.32436751      7.41314662     -9.93637564
  O     15.65493154      6.75539350     -8.15203178
  H     14.63635063      4.24534878    -14.74963962
  H     12.91588159      5.54083984    -13.51957278
  O     18.18673668      5.68106967    -15.77626529
  H     15.07826047      8.58805733     -8.29624899
  H     13.06403775      6.04916021    -12.06524045
  O     16.49918078      3.86467933    -14.36389336
  H     14.28014657      9.47836062     -9.27076080
  H     19.49006402      8.92150201    -14.31154799
  O     19.90362613      7.04458845    -14.16849241
  H     14.00296357      7.39208176    -10.71161302
  H     18.67007736      9.98715522    -13.55065044
  O     14.69128562     10.84128557    -15.61567068
  H     14.72781426      6.45071339     -9.72993020
  H     18.09259336      8.21423898    -11.90559812
  O     15.59423190      7.55110539    -14.23469292
  H     15.07805788      8.98368470    -13.39958647
  H     19.04771495      7.17137887    -12.54440602
  O     18.05804088      7.65137669     -9.03853766
  H     14.74850706     10.42274290    -13.86380594
  H     17.63727317     11.18921017     -8.75006951
  O     12.55074831      6.16121318    -12.87113804
  H     16.90398346      8.00617512    -17.26103805
  H     16.48500672     10.18655009     -9.00404878
  O     19.12273809      9.81151233    -14.38580594
  H     17.07519871      7.37865557    -18.66669342
  H     13.66844380      7.52762351    -16.68392454
  O     18.45235831      7.32114594    -11.79925254
  H     16.55319876      7.00001333     -8.43940147
  H     15.01639860      6.86738584    -17.12694618
  O     17.38195207     10.44223355     -9.28480343
  H     15.74893315      6.24376648     -7.35327077
  H     12.46538308      9.08833790    -11.25257194
  O     14.23798126      6.75606841    -16.56699194
  H     17.60285157      5.01559142    -15.39155476
  H     13.90759931      9.52142501    -11.57165301
  O     13.34233913      9.15406280    -10.87358341
  H     17.70314661      6.09116006    -16.50149757
  H     11.80500050      9.27520224    -16.99038563
  O     12.59591942      9.04065573    -16.51174232
  H     16.72532844      2.98075557    -14.08433922
  H     12.33092627      8.90222692    -15.58467540
          69
 Energy    -247.92657845319474     
  O     13.13257239      9.62784849    -16.68483086
  H     13.32570546     10.57801336    -16.78392446
  H     15.51465132     14.11730868    -14.31747132
  O     11.25385489      8.58467297    -10.36743123
  H     13.27518497      9.22767682    -17.53816895
  H     16.74112836      8.94189784    -11.89415693
  O     13.77225595      9.11069765    -14.02691577
  H     12.20048938      8.67086714    -10.18548317
  H     16.97534604     10.23088229    -12.68490457
  O     13.96197936     12.87732266     -7.64161510
  H     10.83009127      9.17335774     -9.73929312
  H     15.13380941      6.87343251    -12.11785220
  O     13.48418681     12.30997449    -16.83401794
  H     12.94858124      9.37278582    -13.58978406
  H     14.66649822      8.19601282    -12.76755756
  O     11.38127338      9.86306132    -12.83792190
  H     13.60787998      9.15647935    -14.97777271
  H     14.83324086     15.74341270    -12.49336862
  O     13.95765676      9.33460371     -9.95174744
  H     14.19557876     13.42572691     -8.41152138
  H     13.34114558     15.36887129    -12.60283490
  O     14.49376099     11.75094943    -11.39787238
  H     13.93869265     13.45850584     -6.88602776
  H     17.74262966     10.75783308    -10.62793378
  O     11.95736302     11.31066548     -8.97115453
  H     12.61973005     12.70011725    -16.65359225
  H     18.79761575     11.18559371     -9.58342016
  O     17.27227965     13.96189100    -10.94733161
  H     14.09894177     12.75706224    -16.23775636
  H     12.03517672     13.54365461    -12.91139566
  O     11.82608959     12.30614289    -11.59109493
  H     11.21444256      9.28842044    -12.07976789
  H     11.79686079     13.89281966    -14.40281487
  O     14.87691893     13.50764070    -14.71027219
  H     11.45800078     10.75723435    -12.47677072
  H     14.64355533     13.27261110    -10.46007933
  O     17.32722355      9.70362062    -11.95279127
  H     14.41569923      8.74801771    -10.56727852
  H     14.32785209     14.78841936    -10.55898364
  O     15.12964792      7.82038866    -11.99990041
  H     14.59599703      9.65106216     -9.29082544
  H     15.51532212     11.90996996    -14.19876414
  O     13.99100801     15.78881518    -12.02471518
  H     15.01904622     11.56410581    -12.18474183
  H     15.07619112     10.42847535    -13.97080946
  O     17.91657227     11.37656502     -9.89664862
  H     14.39953356     10.92763840    -10.90493322
  H     10.73993261     12.24286677    -15.72078246
  O     12.35157873     14.09687441    -13.63962444
  H     12.50279070     11.87974413     -8.41312133
  H     10.16226028     13.53103440    -16.35455191
  O     14.64734481     14.10184093     -9.95632271
  H     12.55589996     10.61549841     -9.26907288
  H     16.42541187     10.97205921     -8.78263045
  O     15.76791155     11.07621632    -13.77931677
  H     16.45731117     14.13652667    -10.45745159
  H     15.16924102     11.41646038     -7.98134815
  O     10.92016125     13.18480660    -15.89105867
  H     17.57257681     13.09928294    -10.63957270
  H     16.88828817     14.73283564    -12.47550609
  O     15.64349978     10.64662801     -8.31883499
  H     11.60884739     12.11952637    -10.66916236
  H     17.22318664     15.84320753    -13.49666654
  O     16.55813116     15.20112498    -13.26257764
  H     12.78593041     12.16831404    -11.63832962
  H     11.38169576     10.09604780    -15.95463436
  O     10.65973639     10.51334515    -15.47009826
  H     14.01745571     13.70426973    -14.30996768
  H     10.75601295     10.22366078    -14.55269454
          69
 Energy    -247.92642212530711     
  O      1.30598075     -3.03354621     -7.67132286
  H      1.53492257     -3.26387391     -8.58384034
  H     -3.93446387     -2.02605716     -4.50198771
  O     -1.21012110     -0.09130665     -6.76934913
  H      0.46100668     -3.47278043     -7.49967983
  H     -1.37059947     -0.09540894     -9.90389607
  O     -0.94897843      3.58298634     -6.07267679
  H     -0.33252139     -0.22076259     -7.15495143
  H      0.10645429      0.15616336     -9.42460393
  O     -1.81361616      2.24707282     -8.31887199
  H     -1.56673939      0.70857764     -7.17004150
  H     -4.53060351      1.14837966     -7.69374821
  O      2.92174393      0.44893979     -6.01095079
  H     -1.22826423      3.19280060     -6.91704966
  H     -5.26252078      1.79201452     -8.89890363
  O      1.20491628     -0.33639738     -8.09206216
  H     -1.03134477      4.52915487     -6.16644703
  H     -3.04882807     -1.43511499     -8.85669143
  O      0.33294812     -1.43943416    -11.98067407
  H     -1.31886429      1.81524431     -9.02672959
  H     -3.62107812     -0.13378128     -9.45379312
  O     -1.13206202     -4.30430938     -7.34646563
  H     -2.75204294      2.08090543     -8.48442851
  H      2.15688151     -1.19356734     -5.23169393
  O      1.38023079     -3.61053248    -10.34686361
  H      2.35316637      1.11496807     -5.58463947
  H      1.55105458     -2.40537427     -5.93005627
  O     -2.91569874     -2.20235517     -7.24039396
  H      3.82269864      0.73912733     -5.89826436
  H     -0.85641088     -0.09591318     -5.03222307
  O     -2.57988186      1.90904587     -4.38462851
  H      1.26205936     -1.30178529     -8.02332460
  H      0.20760308     -0.83364427     -4.22113798
  O     -4.69408554     -1.91984152     -5.10479941
  H      1.86783669      0.02255578     -7.48966228
  H     -3.91515924      1.19930161     -5.41797448
  O     -0.55724808      0.39894870    -10.08953121
  H      0.07881039     -0.70351899    -11.40157350
  H     -4.67630229     -0.11921958     -5.69018487
  O     -4.44397527      1.37939934     -8.63839056
  H      0.70083602     -1.05085149    -12.77074149
  H     -1.29496725     -2.42654659    -11.74708738
  O     -3.03951461     -0.87753464     -9.64917444
  H     -1.16326104     -4.68554004     -8.23272720
  H     -2.54842847     -2.20130205    -10.88171876
  O      1.56674334     -1.94148952     -5.08008299
  H     -1.81885586     -3.62188865     -7.31417581
  H     -1.89501612     -2.92252635     -3.88580288
  O     -0.48846057     -0.16911452     -4.13518327
  H      1.13189130     -2.88424599    -10.93046287
  H     -1.89429342     -1.42760875     -3.56783013
  O     -4.52425589      0.76856819     -6.03391772
  H      0.61470820     -4.19905934    -10.32035010
  H      0.24786329     -3.41866690     -4.60454214
  O     -2.07456993     -2.87117635    -11.39169171
  H     -3.61855804     -2.21244288     -6.57968079
  H     -0.73131028     -4.23818810     -5.47317857
  O     -2.47447222     -2.19381298     -3.61635187
  H     -2.31423089     -1.48291310     -6.99193036
  H     -1.37339164     -5.84712771    -10.52430687
  O     -0.55645470     -3.94740306     -4.56868700
  H     -1.94826200      1.29747574     -3.99392353
  H     -1.53865001     -4.30920228    -10.54978036
  O     -1.11437782     -5.04636761    -10.07568778
  H     -2.05210924      2.56154072     -4.86183921
  H      0.50225418      2.66537795     -5.26725384
  O      1.12307905      2.07311319     -4.82652041
  H     -5.42246369     -2.39574366     -4.71631107
  H      0.58488919      1.38389596     -4.41573368
          69
 Energy    -247.92640019743635     
  O     16.45293467     12.29422492     -9.36843134
  H     17.26701035     12.79887675     -9.24238465
  H     12.25283148     13.00210851    -12.13795265
  O     13.18884334     12.66730959    -15.77389784
  H     16.71917851     11.36861480     -9.44316317
  H     19.70706310     15.52167107    -13.85043167
  O     15.32297536     16.14463140    -10.62694100
  H     13.98529555     12.96792805    -16.22743068
  H     18.59081931     15.27672884    -12.80739185
  O     14.10420455     10.11527844    -15.13068640
  H     13.33429544     11.72763990    -15.59979082
  H     17.74822823      9.00744574     -9.27213590
  O     17.02540001      8.44570324    -14.49736491
  H     15.05591819     15.80970330    -11.50108172
  H     17.00105532      9.27832809    -10.59581702
  O     15.89107783     12.56128872    -12.11368605
  H     14.96350255     17.02500784    -10.54840642
  H     15.87972841     13.63074706    -17.80799887
  O     16.06283081      8.65676513    -11.92746109
  H     15.01686722     10.42467688    -15.23659245
  H     16.01161439     14.02917954    -16.31811113
  O     16.71836162     11.08079988    -15.50253069
  H     14.11549018      9.16253439    -15.27946929
  H     14.31583201      7.02205379    -14.36980838
  O     16.44555936     15.21872122    -15.15339726
  H     17.06926291      9.30138918    -14.94375025
  H     14.26712491      6.58040494    -15.85059811
  O     14.08800641     10.47332567    -12.38147387
  H     16.28511062      7.97719145    -14.90144296
  H     19.10580469     11.66885556    -11.99650839
  O     12.15990863     14.09865938    -13.73006712
  H     15.25956735     11.84555225    -12.26552755
  H     18.83335860     10.78055792    -10.75743722
  O     12.45089965     12.39155873    -11.41920127
  H     16.07658944     12.57030553    -11.16617920
  H     18.38391054     14.91241319    -10.52603490
  O     18.88201433     15.06450094    -13.71299857
  H     16.51677344      8.59191906    -12.78180293
  H     17.16123584     15.78057057    -10.91593671
  O     17.50128961      9.70199107     -9.87760012
  H     15.34212025      9.29994758    -12.02567755
  H     17.39012943     12.42498438    -13.01895080
  O     15.73250243     13.31559296    -16.92041205
  H     17.31090955     11.48242656    -14.85096182
  H     18.54510332     13.22193146    -13.67529245
  O     14.47363163      7.31795484    -15.28264881
  H     16.44232472     11.79619744    -16.08924964
  H     14.78208078     13.21133747     -9.30104623
  O     19.40616016     11.47865889    -11.09780588
  H     15.80823643     15.21895910    -14.42630354
  H     14.41462056     14.61739873     -9.78656807
  O     18.05377712     15.53488271    -11.18593243
  H     17.31695458     15.23664082    -14.74013553
  H     14.87708035      7.27413445    -12.25810470
  O     18.21730976     12.32773494    -13.51915559
  H     13.94092921     10.36609415    -13.33064510
  H     13.44298401      6.77303728    -12.03842407
  O     14.03020758     13.76858296     -9.54071455
  H     13.40870139     11.06186682    -12.01694629
  H     19.68264386     13.61822431     -8.76611707
  O     14.19299311      6.69228934    -12.62404600
  H     12.48141437     13.57597324    -14.48734609
  H     19.22848566     12.82999027    -10.02068939
  O     18.98234748     13.54814485     -9.40898242
  H     11.34564835     14.50962092    -14.00687985
  H     15.10847861     14.07797918    -12.68620341
  O     14.71063072     14.91389794    -12.97601296
  H     12.92344162     12.89620314    -10.74063554
  H     13.79866358     14.72331442    -13.22912728
          69
 Energy    -247.92635748926378     
  O     -2.06807433      4.72264698      4.90082612
  H     -1.47214361      4.54519927      4.16020645
  H     -4.59601385     -4.74314801      1.72729936
  O      1.34860365      0.65859519      1.02909496
  H     -1.85166328      4.05235728      5.55983895
  H     -0.16612295      2.83766944     -0.73447649
  O     -1.51990985     -0.92904290      3.52183866
  H      1.10871614      1.17277953      0.24797083
  H      0.78288015      2.58435654     -1.93213963
  O     -3.55712657      2.10957140      0.61583034
  H      0.79341225     -0.13041347      1.01170097
  H     -5.20004523      5.28883801      4.66739268
  O     -3.60458468     -1.72870145     -1.12744134
  H     -1.10608618     -1.11125377      2.66711576
  H     -3.78275866      4.69394383      4.50095626
  O     -0.68127764     -1.32459174      0.90462726
  H     -0.86616343     -0.53869911      4.12159541
  H     -2.13396323      3.46578936      0.21967918
  O     -5.87391859     -0.17831236      4.81198264
  H     -3.11019227      1.91063875      1.45457787
  H     -0.94403106      3.91217426      1.08951552
  O     -6.92572349      1.11858424      2.44657523
  H     -4.31122464      2.67175866      0.85224705
  H     -5.30800357      3.90093281      2.59540284
  O     -1.72223908      2.35321100      6.52491952
  H     -3.00098886     -0.99174546     -1.29219698
  H     -6.16375444      2.74188217      2.03228525
  O     -1.87279758      0.47125865     -0.90372443
  H     -4.25787006     -1.37815434     -0.50685963
  H     -1.18014213      2.90023087      2.95523132
  O     -5.02858145     -0.37166668      0.89892596
  H     -1.12765081     -0.69834177      0.31578276
  H      0.33212453      3.20862638      3.03305144
  O     -3.97743137     -4.09924270      2.06505162
  H     -1.01463359     -2.19675610      0.66508944
  H     -4.16851316     -2.54672979      2.93757659
  O      0.36269540      2.15760877     -1.19068475
  H     -5.28269807     -0.75820689      4.30027222
  H     -3.22926396     -1.42311945      3.45978423
  O     -4.72912210      4.52415804      4.34573391
  H     -6.39191216     -0.74387204      5.37893293
  H      1.65693505      1.52356595      2.49506564
  O     -1.24896940      3.84334241      0.17346576
  H     -6.49110557      0.54562964      1.80171459
  H      2.69541439      2.20822548      3.41558001
  O     -5.58120543      3.47306643      1.77682642
  H     -6.71333050      0.73134456      3.30290196
  H      0.71362527      1.10041940      4.57941080
  O     -0.52732201      3.61143308      2.86015744
  H     -1.78436724      2.27887865      7.47471044
  H     -0.44692205      1.21971318      5.59802877
  O     -4.15592641     -1.64461662      3.28699300
  H     -2.60191209      2.13733639      6.17234526
  H     -4.53683082      2.80224409      5.00318212
  O      1.76187567      2.04573037      3.31126935
  H     -2.48967239      1.07909647     -0.47214593
  H     -4.81059205      1.26231334      5.17378093
  O      0.09212178      0.58609322      5.10953083
  H     -1.10420500      0.99400351     -1.16221186
  H     -1.74893000     -4.24309503     -0.63638133
  O     -4.14766405      1.95751895      5.26884554
  H     -4.68650968     -0.78333968      1.70467884
  H     -2.67194507     -3.01065123     -0.45366082
  O     -2.10013039     -3.64527881      0.01830915
  H     -4.56497567      0.46831690      0.79023563
  H     -3.08255177      1.77451688      3.76810354
  O     -2.46008328      1.62091011      3.04727244
  H     -3.28782033     -4.01384816      1.38997676
  H     -2.07912378      0.74462368      3.18868614
          69
 Energy    -247.92616529311749     
  O     16.78401065     10.55642291    -18.03552195
  H     17.10471837     10.09962925    -17.24500447
  H     16.91288814      5.99708972    -16.27942550
  O     16.85346317      6.09126613    -12.78801442
  H     15.82922263     10.65856963    -17.93836836
  H     18.68969274      8.45106367    -11.57732010
  O     16.25304311     12.65720036    -11.65453822
  H     16.71775811      5.20111305    -12.47261272
  H     18.36361333      7.10282807    -12.25189599
  O     21.49933925     10.56818831    -14.32678666
  H     16.98736095      6.02493171    -13.75013330
  H     20.51486351     10.01629836    -17.51063741
  O     16.16103304      6.37544265    -17.99360353
  H     16.52980035     12.82845426    -12.56870715
  H     19.43158419     10.34334686    -16.48550682
  O     14.04049962     10.96076385    -12.31807162
  H     16.27869665     13.49909541    -11.20513781
  H     18.49716963      8.47544560    -15.86201541
  O     15.49523553      8.44877915    -12.01702350
  H     21.54195434      9.62132657    -14.14222557
  H     17.10621018      9.02428531    -15.38906569
  O     17.10336607     12.75732019    -14.34276005
  H     21.26148502     10.65547583    -15.26048781
  H     13.38495167     11.48230560    -17.92522489
  O     21.24200468      7.77389630    -13.68882425
  H     15.43665468      6.96904988    -17.72614688
  H     14.13459346     11.21928063    -16.59973460
  O     15.48206509      8.93978113    -14.73190508
  H     15.76334276      5.67177422    -18.50057283
  H     17.18377545     10.93663197    -11.11407496
  O     19.79084561      7.17214287    -15.99757304
  H     14.32839171     10.06460975    -12.10706512
  H     18.14374842     10.30629028    -12.11360361
  O     17.38703638      5.90655889    -15.44516654
  H     14.71048265     11.55037767    -11.94758823
  H     14.61290204      8.21442900    -16.17559345
  O     19.08989116      7.69598944    -12.02213895
  H     16.23575243      8.99330188    -11.71012191
  H     14.02685980      8.94663886    -17.38226404
  O     20.24832083     10.68723194    -16.87037260
  H     15.84981035      7.56186464    -12.16161473
  H     18.54227393     10.20162329    -14.31172086
  O     17.96274247      9.27449325    -15.76690624
  H     17.41338019     12.96986983    -15.23475450
  H     19.83460025     10.84391649    -13.73888102
  O     14.01910411     10.90208695    -17.51169037
  H     17.75228643     12.11611545    -14.01531647
  H     19.67334038      8.28709366    -18.76357267
  O     17.62966482     10.10712439    -11.31335118
  H     21.95502659      7.30430234    -13.26308225
  H     21.15494375      8.09778033    -19.17253823
  O     14.27131265      8.06888382    -17.06991153
  H     20.49417499      7.76729729    -13.06486184
  H     15.45636154     12.05608009    -14.78600053
  O     18.87624785     10.78924712    -13.62087163
  H     15.44410685      8.70601255    -13.79645950
  H     14.23442732     11.43292192    -14.04793472
  O     20.59226642      8.32861064    -18.43882876
  H     15.17923641      9.85536355    -14.80167105
  H     17.63999319     12.16344845    -17.43913783
  O     14.62085103     11.58875195    -14.92333177
  H     20.20683324      7.47642354    -16.81387730
  H     19.06207124     12.38276375    -16.93840958
  O     18.17654004     12.76023872    -16.90071122
  H     20.38902802      7.35286420    -15.26015973
  H     17.40379379      7.56991411    -18.79131989
  O     17.98846161      8.25534695    -19.13743753
  H     18.29613514      6.17631774    -15.63563760
  H     17.54561324      9.09637226    -18.96441793
          69
 Energy    -247.92604884944956     
  O     12.79896492      2.69712523    -17.81297192
  H     12.06933348      2.24428232    -17.37058665
  H     13.38482336      0.43658537    -19.53655481
  O     15.84763205      5.47341926    -18.97882621
  H     12.92880937      2.23971864    -18.65253069
  H      9.94110828      2.17541416    -19.96023540
  O     12.43389721     -0.56814044    -15.97018970
  H     16.14704683      4.56118589    -19.14577485
  H     11.33679598      1.71044826    -20.48734463
  O     14.71482095      2.49819772    -21.69582269
  H     16.58785321      6.04243155    -19.17801394
  H     16.59769857      2.18104162    -18.98468773
  O     13.38045471      1.55090885    -14.26777913
  H     11.71972305      0.05395756    -16.18772149
  H     16.06109406      2.62707529    -20.37089419
  O     10.75275380      5.54772689    -23.40287491
  H     12.01408700     -1.39064622    -15.72784802
  H     15.02936178     -0.13215373    -18.02049311
  O     13.93913037      5.07259430    -21.01056203
  H     14.44874750      3.39792036    -21.44948110
  H     13.65659954     -0.58060570    -17.46294466
  O     10.63446672      1.46219763    -16.48158180
  H     14.43615967      2.38020160    -22.61187735
  H     10.31964741      5.19104209    -19.07486608
  O     10.92153990      2.67603352    -23.47368813
  H     14.07344453      1.96592934    -14.80077086
  H     10.57960271      5.21760278    -17.55380219
  O     14.93412801      5.46529200    -16.27953930
  H     13.16275753      0.72664095    -14.71897992
  H     16.08707422      1.57253938    -16.96697131
  O     11.17592258      4.92623454    -20.68945856
  H     10.34663289      6.22781571    -23.93260203
  H     17.32146431      0.64532570    -17.07925086
  O     12.95807892      1.11724573    -20.07767236
  H     11.70499645      5.55828993    -23.60965808
  H     14.28276768      2.64157125    -16.78496949
  O     10.53078333      2.19682251    -20.72131262
  H     14.48856477      5.33429671    -20.26283442
  H     15.16443944      3.68253099    -16.07160870
  O     16.55525347      2.92461474    -19.59602560
  H     13.01163975      5.08056569    -20.73687360
  H     12.03469048      2.66219587    -14.23652907
  O     14.18160003     -0.52097786    -18.26998210
  H     10.66837931      2.08188769    -15.73941882
  H     10.90489512      3.43494713    -13.51241067
  O      9.89302868      5.06619647    -18.21538439
  H      9.95817215      1.76912758    -17.09972335
  H     13.60500582      1.97295068    -25.03917716
  O     16.53434086      0.92488228    -17.53990080
  H     10.68493854      2.39963130    -22.57845559
  H     12.58663560      2.47579913    -23.98890086
  O     15.03281297      2.72997897    -16.17671547
  H     10.70876578      3.61595041    -23.52618072
  H      7.96232333      2.57799948    -18.43968575
  O     11.25029492      3.22393617    -14.37558249
  H     13.97099577      5.53425346    -16.28179123
  H      9.20938579      3.48435242    -18.28521432
  O     13.52781141      2.48705673    -24.24018157
  H     15.21376144      5.56198760    -17.19969949
  H     13.59210157      4.42141306    -24.05583442
  O      8.91312912      2.55874833    -18.36981446
  H     10.99616834      3.97469560    -20.69948950
  H     13.74247087      5.36956933    -22.85022407
  O     13.43593049      5.32911439    -23.76722566
  H     10.93241090      5.25839056    -21.56292833
  H     12.39753233      4.31121942    -17.05518963
  O     12.10063048      5.01331215    -16.45475514
  H     13.61705917      1.49723297    -20.67427906
  H     11.80727969      4.55848777    -15.65532463
          69
 Energy    -247.92599142145485     
  O     17.87093307      8.55722475    -12.44781967
  H     17.18496284      9.23957912    -12.50651878
  H     16.83248643      8.21724374     -6.22535327
  O     12.15243805     11.75768474    -10.88173482
  H     18.35719079      8.73966469    -11.63357466
  H     14.13773987      9.39419977    -10.23446224
  O     19.26427559      8.64479304    -14.77798118
  H     11.56430099     12.41223995    -10.51636820
  H     13.63371960     10.87087743    -10.24619333
  O     11.81289828      9.21394637    -12.18514760
  H     12.52318652     12.13423824    -11.70088053
  H     18.83299780      7.73447114     -9.24630930
  O     15.80610106      6.67082806    -12.40154842
  H     19.76881528      7.84921521    -14.92390316
  H     18.01421335      6.41159137     -9.30443552
  O     19.06085079      9.38210225    -10.11961721
  H     18.79388235      8.53214788    -13.93274797
  H     16.62527473     12.98329576    -12.24009512
  O     20.26419322     11.61792971    -11.32295244
  H     11.75923210     10.03890645    -11.68651822
  H     16.63246864     12.91219865    -13.81030951
  O     16.85397664     10.56594677     -8.89877803
  H     12.01473376      9.47955049    -13.08978525
  H     16.70561101      4.29352181     -9.91803820
  O     16.96377142      9.84559763    -15.92254913
  H     16.05387140      6.02228016    -11.73022968
  H     16.01434077      5.62183255     -9.53341739
  O     14.91775402      8.51678691    -14.42889472
  H     16.55639074      7.28196987    -12.43594619
  H     15.88881842     11.19470254    -12.76326003
  O     12.73734103     10.15779903    -14.75029322
  H     19.60826477     10.09541443    -10.47084100
  H     15.25473945     10.26601174    -11.70013726
  O     16.67568254      8.34334404     -7.15770096
  H     18.29451556      9.80627915     -9.70333148
  H     19.79293108     10.41310117    -14.30759904
  O     14.40847508     10.31428593    -10.09835060
  H     21.07636620     12.09888434    -11.18777468
  H     19.14938651     11.80513777    -14.42735564
  O     18.47693312      7.01314907     -8.70967612
  H     20.15250023     11.52011203    -12.28525141
  H     17.30474099     11.53338594    -15.58870585
  O     16.06365540     12.95221426    -13.03104183
  H     15.97334080     10.53922092     -9.30253997
  H     17.64292383     12.93970498    -16.13692204
  O     16.67147395      5.22228838    -10.13259576
  H     16.81279952      9.93233290     -8.17119670
  H     12.97495792      8.12593235    -11.33082071
  O     15.74213175     10.26914911    -12.53310493
  H     16.23286831      9.33398626    -15.55627063
  H     14.35942945      7.39785976    -11.42987418
  O     19.85376670     11.31936810    -13.98179720
  H     17.76785750      9.36777852    -15.68011789
  H     17.34508089     12.09965685    -10.04919558
  O     17.59461710     12.42750541    -15.33361494
  H     15.07332071      7.67379334    -13.99102536
  H     18.55133890     12.40124436    -10.94842500
  O     13.70701054      7.75666386    -10.81453948
  H     15.16068404      9.18946504    -13.76811100
  H     13.16198097     11.82906278    -13.81444118
  O     17.63672629     12.65763617    -10.77947355
  H     13.46240895      9.51199012    -14.75546228
  H     14.19779003     12.80822662    -13.18972780
  O     13.26079522     12.57149298    -13.20640287
  H     12.30562527     10.08991478    -15.59872266
  H     14.33674860      6.98638088     -9.24159124
  O     14.88743039      6.54786072     -8.57791745
  H     17.35720913      7.82990267     -7.62801521
  H     15.32238520      7.23803372     -8.06421176
          69
 Energy    -247.92596805021361     
  O     13.60361221     11.84821635     -8.65600889
  H     13.49418197     11.84642241     -7.70724569
  H     16.64380777     14.25689457    -16.63505020
  O     10.88183721     10.90989079    -14.93651048
  H     12.71671537     11.75537671     -9.03681657
  H     12.84281908     14.31190252    -11.57236202
  O     14.39054090      9.44071723    -10.05413830
  H     10.66570118     11.69090591    -14.40740350
  H     13.07145707     12.88816938    -12.11334761
  O     11.26474962     11.53597727    -10.14584939
  H     11.12563339     11.24170984    -15.80993253
  H     11.14479532     14.13067468    -14.83262045
  O     12.00227705      9.25054258    -11.55173792
  H     14.22176146     10.23345939     -9.53280334
  H     11.81798022     13.71060013    -16.14920911
  O     13.21809219      9.77393205    -13.96867177
  H     13.55896717      9.22588282    -10.49587414
  H     14.04556406     11.25613129    -13.39982615
  O     14.24113160     15.56420747    -11.76154553
  H     11.52445227     10.72122021    -10.60371066
  H     15.21247852     11.99630870    -12.64593955
  O      9.55618229      9.43113028    -12.84118195
  H     11.63819745     12.27669674    -10.65142803
  H     17.39129214     12.48572462    -14.98690311
  O     14.32304485     14.50997822    -14.34109674
  H     12.54560587      9.36517855    -12.34559060
  H     17.63508915     12.10788276    -13.50732185
  O     14.47316732     11.53541806    -17.00953999
  H     11.10440858      9.11805478    -11.88779137
  H     11.63352840     12.13506194    -18.17283069
  O     10.25322827     13.17451897    -13.39766572
  H     13.77279631      9.39659244    -14.66153391
  H     12.81530575     11.93247261    -17.19361204
  O     16.25018469     13.58362324    -16.08481704
  H     12.41402616     10.12621642    -14.37818633
  H     15.93196743      9.28366819    -10.83979392
  O     12.41155787     13.45830634    -11.68560752
  H     14.35114870     15.31262221    -12.69376116
  H     17.37284413      8.73370438    -10.73790013
  O     11.82173629     14.39466143    -15.46735140
  H     14.34852483     16.51100606    -11.71962188
  H     16.91760209      9.20243781    -13.19203535
  O     14.33954324     12.10378005    -13.04464708
  H      9.11339002     10.16549937    -12.40017221
  H     17.39445138     10.17030607    -14.30344042
  O     17.89768392     11.89834756    -14.41525065
  H      9.89302362      9.79188298    -13.67172664
  H     15.17094453      8.16493246    -16.41681137
  O     11.86841957     12.15734584    -17.24932624
  H     14.35972360     13.62159632    -13.95024178
  H     15.77701966      9.04842918    -15.29759788
  O     16.80705041      9.29131487    -11.26574947
  H     13.45790851     14.58338995    -14.77222024
  H     16.50240250     12.58734953    -11.09995603
  O     16.98755315      9.30420885    -14.14693504
  H     15.14234246     12.16937951    -16.72754568
  H     16.92366744     11.13414864    -11.51991116
  O     15.03322693      8.96904120    -15.92460723
  H     14.74145790     10.66949137    -16.67893355
  H      8.03232079     11.94366772    -10.78226303
  O     16.83591917     12.04497322    -11.82928145
  H     11.01636713     13.35583833    -12.82891354
  H      9.55946517     11.71476805    -10.81726007
  O      8.76934575     11.81106461    -11.37342704
  H      9.57131424     12.82705399    -12.81124594
  H     15.09076130     14.29201813    -10.49042948
  O     15.52091584     13.59368374     -9.98407138
  H     15.61538204     14.03316805    -15.50399125
  H     14.82480071     13.08977011     -9.54560719
          69
 Energy    -247.92594052945140     
  O      0.20120095      2.77571970     -2.47132730
  H      0.22644842      3.27862982     -3.28077911
  H     -3.23815843      0.40070172      3.21176014
  O      1.63572944      3.98498320     -0.52442131
  H      0.74036039      3.26120422     -1.82034486
  H      0.03394862      0.04395818      2.29791363
  O      3.07840881      0.06909219      1.82436377
  H      2.41204952      3.64139017     -0.06621340
  H      0.36449588     -1.37901570      2.77722592
  O      0.66553937      1.15997019      1.10651300
  H      0.97089883      4.12084869      0.16659747
  H      3.30135882      0.74397174      3.61903867
  O     -2.23824681      2.00514787     -1.14314791
  H      2.26195267      0.54922622      1.60781648
  H      3.42441875      2.14249552      4.25526721
  O     -2.74939550      2.73245231      1.42546264
  H      2.80781044     -0.85613829      1.88086184
  H     -3.54882310      3.63327443      2.73847885
  O      1.24491173      0.37571826     -1.54148998
  H      0.42548908      2.09105193      1.17470546
  H     -4.65746806      4.53990065      3.31772190
  O     -2.49832813     -0.74428283     -0.20743033
  H      0.75407795      0.93171642      0.17238100
  H      0.61029831      2.79966831      4.43988843
  O      3.73964332      2.88255819      1.08074770
  H     -1.44669623      2.24601042     -1.63799449
  H     -0.15025415      4.13389534      4.61971143
  O      0.13330326     -1.87317832     -0.36887484
  H     -2.21188699      1.05100463     -1.00270919
  H      1.52567886      1.05018373      5.01968961
  O     -1.74199735      4.37905630      5.37904457
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  H     -2.73055880      1.84481516      1.80807933
  H     -3.97208080      2.22958245      4.37597796
  O     -0.18245353     -0.61307815      2.98154510
  H      2.20367023      0.48067103     -1.46026404
  H     -3.11343197      1.39474640      5.34185128
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  H      0.90595517      1.13933802     -2.02473280
  H     -1.59411926      1.46998392      7.44242692
  O     -3.91965412      3.98780453      3.56418806
  H     -3.27909972     -1.19323651     -0.52530822
  H     -0.84807673      1.46485102      6.09025056
  O      0.62291712      3.73449897      4.19420909
  H     -2.68567971     -0.48865659      0.71067110
  H      4.11948914      1.59494937     -0.61680238
  O      0.55833430      1.05296469      5.06793709
  H      3.66377311      3.38703689      1.90154643
  H      3.82484424      0.22278764     -0.02405794
  O     -3.77544575      1.32330198      4.64291389
  H      3.67168750      1.96089937      1.35319195
  H      0.08612664      3.85412256      2.46797336
  O     -1.66610748      1.74711121      6.53232614
  H     -0.78603237     -1.59205503     -0.29093976
  H     -1.10706539      3.52310614      1.52214150
  O      3.92191866      0.68625098     -0.86596713
  H      0.55807910     -1.19902802     -0.91848275
  H      1.13461994     -2.27506236      0.99232537
  O     -0.17908621      3.79132469      1.54103226
  H     -1.79168690      3.56382328      5.89475963
  H      1.88380384     -3.33055504      1.84158082
  O      1.67465165     -2.40184330      1.79484625
  H     -2.49952984      4.35841550      4.78098492
  H      3.69728989      4.74249909      4.10269118
  O      3.30572948      3.99761963      3.65293384
  H     -1.92520856     -0.25499589      2.69897237
  H      2.35573226      4.01708667      3.85743771
          69
 Energy    -247.92591851061877     
  O     10.40701926     11.27913094     -8.99062581
  H      9.63937477     11.24135714     -8.42676169
  H     14.05636120     14.09939858    -13.80487105
  O     13.09374262      9.53689388    -16.90444668
  H     11.18255514     11.37257967     -8.40732809
  H     17.22744607     10.28261912    -11.18682760
  O     11.57356246      9.05994750    -10.41585394
  H     13.13411029      9.09999216    -17.75137777
  H     17.21738635      9.63782936    -12.59037046
  O     14.07928706      8.76556101    -14.38816902
  H     12.19241822      9.39947730    -16.55902021
  H     15.72970575      8.22919720    -13.77131483
  O     14.09926539     14.04291783     -7.74211196
  H     11.06706046      9.73651356     -9.95073297
  H     16.81048275      7.18823687    -13.44671867
  O     12.55929088     12.38077743    -16.75242290
  H     12.41979510      9.00839748     -9.95406164
  H     13.90230878     15.05094217    -10.92814591
  O     11.73821905      9.50115186    -13.12270751
  H     13.26440820      8.89503674    -13.87905973
  H     12.57590750     14.44611440    -10.41590076
  O     13.96111397     11.73457051    -10.93761529
  H     13.86268581      8.95189430    -15.31083303
  H     15.04367411      9.47956532     -9.15624970
  O     12.70619177     11.50836973     -7.58538744
  H     13.81033415     14.44598759     -8.58152412
  H     13.97430337     10.30427482     -9.88168720
  O     17.09178515     13.36951021    -11.69128426
  H     14.04011265     14.72229129     -7.07626500
  H     12.09505133     12.71473708    -13.78347791
  O     11.47847123     13.05521365    -10.87265654
  H     12.90664335     11.48371678    -16.82875222
  H     10.68612850     12.26498447    -14.24819069
  O     13.69261649     13.39280646    -14.34969804
  H     13.05103680     12.81623676    -16.04361011
  H     15.25577222     12.35841208     -9.88435102
  O     17.31103663     10.48439478    -12.12704025
  H     11.64181639      9.26709416    -12.18852096
  H     15.49846989     13.15394171     -8.58921250
  O     16.62759351      8.12417644    -13.42026960
  H     11.61397941     10.45664120    -13.19134817
  H     15.84810510     11.02831701    -13.03975263
  O     13.32613811     15.00081925    -10.15707168
  H     14.22564413     11.56558415    -11.84988266
  H     14.67944574     10.36872360    -13.82502746
  O     14.09259718      9.61225143     -9.20943493
  H     13.11655578     12.20028177    -10.93650390
  H     10.86046987     12.25721813    -16.33925298
  O     11.28159897     12.27891297    -13.48951112
  H     13.27488178     10.83438116     -7.98076492
  H      9.35853173     12.61111552    -16.48150577
  O     15.94760058     12.61822715     -9.25235360
  H     13.19626547     12.33866810     -7.59523204
  H     16.67282748     10.98983654     -9.16064184
  O     14.99601146     11.20468420    -13.46033994
  H     16.84626237     13.24775643    -10.76337643
  H     17.66041274      9.90005291     -8.68473426
  O      9.97358616     12.09590806    -15.96736488
  H     17.36506680     12.49606923    -11.99210521
  H     15.46044463     15.89038805    -12.69838350
  O     16.95680320     10.07068289     -9.30620314
  H     10.99109935     12.48298787    -10.26647925
  H     15.79621025     14.44999090    -12.26356674
  O     15.06250558     15.04909994    -12.48525356
  H     11.23584767     12.81516370    -11.77810216
  H     10.88221595      9.23759339    -14.79088316
  O     10.65417235      9.32700020    -15.72675632
  H     14.22510384     12.60951550    -14.13504030
  H     10.24367505     10.19564689    -15.82144379
          69
 Energy    -247.92586576706537     
  O     17.78482040      6.76222775    -13.92437966
  H     17.03580683      6.17867990    -13.75132807
  H     17.73807237     10.95152089    -14.84286031
  O     19.15284596     11.00009472    -11.96046607
  H     17.68531977      7.05449288    -14.83730954
  H     15.84204401      8.86894713    -19.78218119
  O     16.10963049     13.44768020    -13.60560508
  H     19.00686590     10.04987786    -11.90635086
  H     14.92509857      8.76422021    -18.54039493
  O     15.43213406      5.16131943    -13.51345728
  H     18.40867530     11.43304904    -11.51080946
  H     14.68813547      8.87625366    -13.47618047
  O     15.18824954     10.74642088     -9.42459417
  H     15.79519410     13.75945210    -14.46721317
  H     15.67245531      9.05848524    -12.28489188
  O     14.34005534      6.46466425    -11.41539128
  H     17.00617842     13.12802400    -13.76961289
  H     13.94948134     10.84069652    -16.29699017
  O     13.93033094     11.72302192    -13.29617097
  H     15.46426144      4.22964537    -13.31281633
  H     13.25693234     11.11768101    -14.95809243
  O     13.43397100      8.35162673    -17.70079015
  H     15.01512384      5.59817199    -12.74916906
  H     18.39898052      7.70107306    -12.56428670
  O     16.15095438      8.40869504    -10.63568075
  H     14.33476506     10.73586725     -9.89415049
  H     19.46551076      7.69984415    -11.44859166
  O     16.99804578      7.88905726    -16.47655290
  H     15.00608978     11.00218374     -8.52432672
  H     12.29668061      8.15633880    -12.68147827
  O     14.60908019      6.60982413    -15.76395869
  H     13.49879367      6.93436080    -11.41134822
  H     11.09385685      7.83579969    -11.76283511
  O     17.12625377     10.26254210    -15.12823732
  H     14.98573382      7.07104594    -11.02487529
  H     19.44601591     12.86009175    -14.50934876
  O     15.81140301      9.03170172    -18.84326428
  H     14.46733301     10.92367554    -13.18089516
  H     18.96575001     11.88646804    -13.40117940
  O     15.42932429      9.40252731    -13.15206268
  H     14.57332489     12.43752036    -13.38976034
  H     16.27203252     11.88000829    -10.49135770
  O     13.17961830     10.59219910    -15.76720953
  H     13.11512987      9.06475610    -17.13661828
  H     16.48672830     12.80026260    -11.72555387
  O     18.69830428      8.17047150    -11.76609283
  H     13.67659334      7.62708493    -17.10857837
  H     15.67416371     10.66631152    -17.84961605
  O     12.00941779      8.10425376    -11.75267230
  H     17.09177961      8.38018605    -10.85330735
  H     16.11625321     10.98687117    -16.40591270
  O     18.69516741     12.35386352    -14.21357209
  H     15.96057606      9.20108639    -10.11713818
  H     13.09779112     11.15740142    -11.70587787
  O     16.94222560     12.32622795    -11.02174735
  H     16.77042578      8.15189955    -17.37554789
  H     12.55797023      9.82281695    -11.12842252
  O     15.54273056     11.29022632    -17.12721911
  H     17.13026540      8.72054245    -15.99395301
  H     14.55620547     14.37164000    -16.68072875
  O     12.91725030     10.68363225    -10.88261706
  H     15.44073022      7.04358356    -16.00583872
  H     15.34917093     13.05689867    -16.63559552
  O     15.24355975     13.91640328    -16.20004121
  H     14.82946836      5.97711926    -15.06811880
  H     13.01255741      9.09821261    -14.78289032
  O     13.06837775      8.29829793    -14.24093541
  H     16.59215283      9.99307810    -14.36637319
  H     13.53128798      7.63001233    -14.76415025
          69
 Energy    -247.92565918316316     
  O     -9.75086638      1.20295236      3.24940252
  H     -9.70578952      2.00559708      2.71522439
  H    -10.59002729      3.79841019      2.12639275
  O     -5.92291721      1.26521383      6.50279565
  H     -9.20820769      0.50175656      2.85571412
  H     -4.94134887      0.48196280      2.72806882
  O     -8.04943401     -2.37749169      5.03984807
  H     -5.14852308      1.82712355      6.38519755
  H     -4.63548029     -0.82577071      1.96701065
  O     -8.29648291      4.30089001      6.12491708
  H     -6.51522902      1.50477154      5.77060100
  H    -10.80520638      0.20890282      5.99372786
  O    -13.38215008      2.42325024      4.85680292
  H     -8.00081514     -3.32994295      5.06051117
  H    -10.74203976      1.02338466      4.67017641
  O     -7.51481401      2.21182130      4.52223906
  H     -7.14696335     -2.04666945      5.19735714
  H    -11.98179195      5.69759884      5.27073925
  O     -8.02529698      0.98422235      8.28846811
  H     -8.97405234      3.91371926      6.69148435
  H    -12.43558538      7.04923646      4.66990076
  O    -10.15801350      2.71643740      7.42970283
  H     -7.99822236      3.57078054      5.56040190
  H    -12.70782589      3.43675678      3.33438867
  O    -12.22753096      4.45663301      6.46328358
  H    -14.19279403      1.92148488      4.87499921
  H    -12.24328445      4.89086384      3.21299517
  O     -6.63772986      6.38350264      3.17798694
  H    -12.66789872      1.80889327      5.10215555
  H     -7.10463016     -0.65434132      2.53962869
  O     -4.52792278      2.15939712      2.93297333
  H     -8.30038768      1.76083820      4.18821265
  H     -8.15142972     -1.40352281      3.38127916
  O     -9.62085078      3.77950395      2.13522011
  H     -7.11880982      2.67390529      3.77314994
  H     -8.91187706      5.35983825      4.83378776
  O     -5.20151948     -0.45095145      2.63702109
  H     -7.70591915      0.79761292      9.16849592
  H    -10.07536988      6.13772334      4.15770734
  O    -11.21270054      0.94476256      5.51449897
  H     -7.23997327      1.10058991      7.72969419
  H     -6.62597647      4.64370962      2.48154773
  O    -11.86204603      6.30340009      4.51666963
  H    -10.53856931      2.14027831      6.74989061
  H     -7.69179448      3.65586982      1.95060574
  O    -12.30151454      4.06199797      2.72234691
  H     -9.48412109      2.18446237      7.86975292
  H     -9.13651647     -1.42437575      6.22720757
  O     -8.05241504     -0.81442135      2.62246694
  H    -11.56236400      3.97614691      6.96942456
  H     -9.07724617     -0.36604222      7.35660685
  O     -9.15845078      5.86066526      4.04104001
  H    -12.73493718      3.78486971      5.98732160
  H     -5.35723744     -1.03992476      4.41217968
  O     -6.77457913      3.71788566      2.24748001
  H     -6.52045890      7.22230452      2.73998276
  H     -5.61375646     -0.46090194      5.81889500
  O     -9.68196403     -0.88827616      6.81729757
  H     -7.57115326      6.33376229      3.45120371
  H     -4.56146636      3.91276639      5.63920293
  O     -5.58944765     -1.28571196      5.31778523
  H     -5.19659710      2.74791919      2.55908598
  H     -3.12333725      3.39982388      5.88638292
  O     -3.99104427      3.12409490      5.60277012
  H     -4.30877414      2.49913345      3.80889100
  H     -5.87561096      5.72088022      4.82097581
  O     -5.69167504      5.23247122      5.63172674
  H     -9.38646971      4.46050041      2.78020088
  H     -6.55570834      5.00050317      5.99822155
          69
 Energy    -247.92561348894571     
  O     15.36614970     10.32607013    -16.68382547
  H     14.60496044     10.68686971    -16.21562844
  H     20.28027007      9.60385326    -18.04931460
  O     16.14712769      5.31377257    -13.33199746
  H     15.80832159      9.74215983    -16.04482885
  H     17.57322880      8.72573494    -14.77594133
  O     18.90417977     13.75927863    -12.12248345
  H     16.89328466      5.44754504    -12.72962801
  H     16.27525498      8.76588455    -13.90638683
  O     19.33350838      7.98964723    -15.07574037
  H     16.48893833      5.43044592    -14.22623183
  H     13.20309454      9.97115753    -14.77012460
  O     14.24671531      6.76514089    -16.72468943
  H     19.46606025     13.08664160    -11.69713835
  H     12.41417313     11.29045304    -14.94900971
  O     18.05681946     10.85680579     -9.24134090
  H     19.39351758     14.57697884    -12.11349859
  H     18.08122533      9.27081828    -10.19757097
  O     15.67427886      8.89361167    -12.17904386
  H     19.50669476      8.39130277    -15.93989827
  H     18.61449389      8.97532523    -11.62266143
  O     17.92407874     11.89949576    -13.99217661
  H     18.87006124      7.16306919    -15.24146343
  H     13.45286518      7.73887552    -15.40230607
  O     14.01984058      6.67875567    -12.41902170
  H     15.05866498      6.31188574    -16.47660229
  H     13.31882786      7.72242885    -13.86891557
  O     17.01432922      6.22164619    -15.85783578
  H     14.47387336      7.28555412    -17.50501188
  H     19.61746746     11.37212226    -10.27562569
  O     18.23348559      5.90297151    -11.58900079
  H     17.91253430     11.03199235     -8.31542460
  H     20.16812216     10.96819566    -11.65578207
  O     19.53882656      9.28819181    -17.53993867
  H     17.48818889     11.47434266     -9.73573965
  H     19.60937145      9.12984193    -13.66537775
  O     16.61007210      8.75830138    -14.81189144
  H     15.07652074      8.13700175    -12.12719527
  H     18.92269953     10.49889598    -13.37162100
  O     13.29658160     10.93638492    -14.88317610
  H     16.45640147      8.71181624    -11.64245266
  H     16.06960980     12.32265844    -11.46056430
  O     18.11064401      8.59530979    -10.88633767
  H     18.26293100     12.63903663    -13.47237101
  H     17.32686711     13.16828196    -11.17819190
  O     13.13210735      8.25563416    -14.64881715
  H     17.00774381     11.75634126    -13.71606529
  H     18.33328815      7.93741057    -18.17672561
  O     20.20926455     11.66015758    -10.98199164
  H     14.74201661      6.12589741    -12.77131742
  H     16.87217733      7.67299371    -18.59749743
  O     19.45639141      9.79208353    -12.97926013
  H     13.47753628      6.11120263    -11.87887321
  H     14.60818288     11.45236289    -13.61104053
  O     16.65024556     12.62816312    -10.75140791
  H     17.29106456      6.40813705    -16.76786126
  H     15.40234052     10.58601183    -12.61352645
  O     17.68603524      7.23556526    -18.31590414
  H     16.71728181      7.07134334    -15.49495670
  H     18.05684618     11.62780679    -15.81908281
  O     15.33380216     11.48279527    -12.97748256
  H     18.22532988      6.80974405    -11.24784355
  H     17.05398464     11.13674291    -16.87123175
  O     17.98796048     11.34563213    -16.74108446
  H     19.02139529      5.49690368    -11.23548387
  H     14.75495905      8.92093246    -19.52435294
  O     15.19657449      8.55335329    -18.76327879
  H     19.00848396     10.06886329    -17.29767308
  H     15.22165159      9.25098708    -18.08628175
          69
 Energy    -247.92559692414866     
  O     14.93916018     10.95283202    -15.90118119
  H     14.67109869     11.85716742    -16.05453377
  H     18.76886030      7.89702692    -17.66014674
  O     14.02142794      5.03411921    -14.64986482
  H     15.62285654     10.98152248    -15.21485968
  H     16.29738298      7.69015351    -14.73574105
  O     17.82906455      6.52652871    -11.94600020
  H     14.90307396      4.70880343    -14.85966997
  H     15.43993841      7.25320992    -15.97086309
  O     19.43683866      6.31059616    -18.39153345
  H     13.74698325      5.53295350    -15.43447765
  H     12.99310789      8.61910184    -14.52625077
  O     16.96600243      5.21044136    -18.41781666
  H     18.67302727      6.72906967    -12.36676415
  H     13.54380600      9.71338317    -15.48450693
  O     13.31091912      6.30255022    -10.60703719
  H     17.20660855      7.18776568    -12.28436801
  H     14.73171554      3.14277937    -11.49026267
  O     16.10787365      8.35804208    -13.05152132
  H     18.56754210      5.87817477    -18.48158905
  H     15.46442589      2.00867528    -10.73333606
  O     16.78088719      4.61058730    -15.61988571
  H     19.95241298      6.05754013    -19.15178700
  H     13.31379459      7.62561351    -16.38657060
  O     13.29498504      3.87041081    -12.17674400
  H     16.24871569      5.81374929    -18.64600795
  H     14.00641373      6.92331042    -17.61439707
  O     19.01896442      9.60689511    -14.70381341
  H     16.77455210      4.84728981    -17.54367122
  H     20.97656311      7.08618401    -13.31519614
  O     19.55702522      5.54097129    -15.65680502
  H     14.23790078      6.09679139    -10.38780386
  H     19.90264902      6.58949074    -14.30791865
  O     18.27206617      8.56313897    -17.17116010
  H     12.86223603      6.46728020     -9.78243489
  H     17.49641135      4.84154225    -12.65450031
  O     16.34062170      7.33064251    -15.63072297
  H     15.16201483      8.15622457    -13.01242466
  H     16.75631402      3.50657380    -12.42020704
  O     12.86512146      9.03421944    -15.38994049
  H     16.23332039      9.30146323    -13.20050834
  H     15.86641778      4.60894702    -10.32007472
  O     15.58138475      2.88454348    -11.09012989
  H     16.97833506      4.28366235    -14.72556804
  H     16.62356333      5.92206667    -10.60820919
  O     13.74287280      6.81233685    -16.69391240
  H     16.70108439      5.57687814    -15.56929687
  H     15.30338823      8.06664029    -18.89898073
  O     20.06022797      7.19192695    -13.55897818
  H     13.12798971      4.65786352    -11.64499747
  H     14.66163726      7.26238598    -20.05546664
  O     17.27797346      3.99503772    -13.06697232
  H     13.44287140      4.18131431    -13.08026077
  H     13.71821986      6.59843230    -13.63892298
  O     15.87511932      5.55442271    -10.12155656
  H     18.88919037      9.33647563    -15.62380782
  H     13.35139061      7.13490938    -12.23489388
  O     14.97900699      7.18589802    -19.15952589
  H     19.39627188      8.84290542    -14.25219351
  H     17.12315233     11.65520416    -13.28500157
  O     13.54433069      7.40982252    -13.14108754
  H     18.73562269      5.03920200    -15.62466111
  H     17.67193613     10.50717576    -14.16830152
  O     16.85560634     10.95137763    -13.86978401
  H     19.66725438      5.79528502    -16.58104901
  H     16.82213404      9.34884157    -17.99225979
  O     15.91764899      9.56872363    -18.25851819
  H     17.61502707      8.08276940    -16.63972416
  H     15.53453099     10.04019544    -17.51080055
          69
 Energy    -247.92554361215559     
  O     17.74940041      8.73769190    -11.96384370
  H     17.04121127      9.29936453    -12.31247723
  H     12.15902565      9.49143853    -15.96054206
  O     11.86555223     11.70753773    -11.57601472
  H     18.20226514      9.26140031    -11.29309031
  H     16.00336060     10.09248888     -5.98714002
  O     18.52865893      7.33567412    -14.25745653
  H     12.24913963     11.99906228    -12.42330558
  H     15.62410902      9.25161827     -7.22829852
  O     11.96157567      8.95127507    -12.42588807
  H     11.17276164     12.32431609    -11.35823122
  H     13.35500201     11.10180128    -10.70363005
  O     16.06592043      6.69546520    -11.25762638
  H     17.78080435      6.72892704    -14.28080083
  H     13.95837021      9.71863914    -10.30485278
  O     18.79226739     10.52928972    -10.13357568
  H     18.43220372      7.81008309    -13.41840242
  H     18.70370807      9.15628875     -8.81391831
  O     19.40821211     12.32966502    -12.25787028
  H     12.12511545      9.08741994    -13.36579609
  H     17.73398705      9.03850464     -7.62672137
  O     16.40686580     11.61690623     -9.17980271
  H     11.76488253      9.83130988    -12.08088746
  H     16.61766596     12.64234098    -14.23613642
  O     17.58398570      9.56190473    -15.61757935
  H     16.34991775      6.36743119    -10.39572165
  H     16.09151556     13.13095715    -12.86176834
  O     15.92386510      5.99652985    -13.91884634
  H     16.67800398      7.41621940    -11.47525630
  H     17.56633196      7.01166199     -8.51682725
  O     15.02404618      8.51367189    -14.85447464
  H     19.13162486     11.11879331    -10.81718138
  H     17.43530637      5.50282623     -8.20429998
  O     12.61091408      9.71080345    -15.14976346
  H     17.96848003     10.92783747     -9.81205762
  H     15.03568990     10.29973590    -11.96404195
  O     16.21801091      9.95320234     -6.90554934
  H     20.24013752     12.78563405    -12.36724332
  H     15.68001957     11.07675120    -13.13366912
  O     14.16031014     10.65998435    -10.40507074
  H     19.06806720     12.16058698    -13.15010996
  H     18.08643090     11.11969060    -15.11628379
  O     18.35843135      8.53296858     -8.16313556
  H     15.59863707     11.31893146     -9.62536207
  H     18.69667732     12.44588735    -15.61577579
  O     15.81328957     12.77633967    -13.72196120
  H     16.37939313     11.20612267     -8.30735430
  H     14.40631828      7.49266939    -10.84618933
  O     17.01040385      6.22422687     -8.66028031
  H     18.07099919      8.80678110    -15.25700036
  H     13.01901546      8.14230069    -11.18233355
  O     15.57003503     10.19295898    -12.76037608
  H     16.65985223      9.29259379    -15.57751470
  H     17.81881953     13.19522020    -11.53338576
  O     18.33682538     12.02070536    -14.84122938
  H     15.65936797      5.09178132    -14.06536216
  H     16.70919326     12.97729532    -10.49056111
  O     13.64575805      7.95275712    -10.46806308
  H     15.93279749      6.13068216    -12.95637616
  H     12.92630736     11.47386651    -14.45485944
  O     16.91966503     13.45717804    -11.30148594
  H     15.19112400      9.06792661    -14.07437672
  H     13.94609010     12.54567579    -13.97375439
  O     13.01446549     12.29259707    -13.95046820
  H     15.27579728      7.61290462    -14.61827441
  H     15.46045741      7.19204826     -8.05398053
  O     14.77957926      7.85380943     -7.87946876
  H     13.45938624      9.23585660    -15.16363446
  H     14.22709523      7.86962563     -8.67127557
          69
 Energy    -247.92549805083598     
  O     14.13976745     10.19081009    -15.60191861
  H     14.92601658      9.65792226    -15.77779881
  H     16.68037422      9.97247393    -11.66882820
  O     17.04233251     10.30675564    -13.40865179
  H     14.46256497     10.98663364    -15.16190734
  H     14.43473662      7.37701167    -11.54580392
  O     14.20441896     11.15352090     -9.62599947
  H     16.84415105      9.67304660    -14.11300470
  H     15.07408075      8.75159700    -11.84062730
  O     11.46946777      6.48519108    -12.98940367
  H     16.51782213     11.09334046    -13.60501349
  H     15.77739468      4.23541609    -12.35668259
  O     19.13087400      5.00453385    -15.35808237
  H     14.96932249     10.69672002    -10.01695202
  H     14.26605570      4.14963418    -12.64780969
  O     13.09121848      4.62589575    -14.10085861
  H     14.51673615     11.59017482     -8.83768694
  H     19.20820112      8.11072894    -12.85784868
  O     11.89525384      9.53196189    -10.05007452
  H     11.67089121      7.35186124    -13.36703725
  H     18.77698757      9.48931279    -13.39991363
  O     19.20958029      7.76242161    -15.95915831
  H     11.51396935      6.58608277    -12.03112998
  H     14.93571169      7.08390546    -13.66303658
  O     13.39096188     12.37467963    -12.06146804
  H     20.03985488      4.71557367    -15.31146918
  H     14.42785776      5.87236830    -14.48647306
  O     11.01667266     10.85182501    -12.40520350
  H     19.16401160      5.93700579    -15.61888265
  H     14.56979709     12.39690104    -13.33316561
  O     12.45231596      9.01278210    -13.77993081
  H     12.44847671      5.24603473    -13.71250581
  H     15.35055380     13.25417667    -14.35562367
  O     16.23682111      9.81374691    -10.82293227
  H     12.60245894      4.04570117    -14.67791525
  H     16.02448102      7.80506876    -15.29196698
  O     14.51090263      8.06700454    -12.21725909
  H     11.48224398     10.00367638    -10.78417842
  H     17.37959019      8.30672847    -15.85389071
  O     14.91493291      4.11912193    -11.93414576
  H     12.67733869     10.04513665     -9.81447308
  H     18.00846739      6.96290181    -10.99328701
  O     19.44949445      8.80437508    -13.49252052
  H     19.37602839      8.13530413    -15.07291669
  H     18.08221927      6.14474928    -12.29756493
  O     15.13210318      6.52947852    -14.43330985
  H     19.79219795      8.21526247    -16.56303300
  H     11.80372821      7.80707031    -10.07561182
  O     15.23133296     12.36005038    -14.04646991
  H     12.52754214     11.97238737    -12.21608896
  H     11.05324616      6.55713362     -9.55785614
  O     16.49950150      8.59607263    -15.58893065
  H     13.67242260     12.06365935    -11.19259318
  H     16.50147853      5.51027776    -13.79422769
  O     18.51965657      6.84899034    -11.80037646
  H     10.17241831     11.02138098    -12.81390335
  H     17.86060707      4.82398969    -14.06022559
  O     11.75612488      6.83587510    -10.13927746
  H     11.47251122     10.19292834    -12.95922766
  H     17.13999015      7.12846549     -8.66467196
  O     17.17843325      4.95070198    -13.38704716
  H     13.13027643      8.71816485    -13.15310678
  H     16.00433658      6.90734308     -9.68936094
  O     16.83832031      7.38211573     -9.53341289
  H     12.93403441      9.39469606    -14.52787101
  H     13.52848393      6.27152768    -10.05386345
  O     14.47588938      6.14967918    -10.19036583
  H     16.61111777      9.03062364    -10.39903295
  H     14.61144254      5.35859190    -10.73779105
          69
 Energy    -247.92542484908211     
  O     15.37005540      3.39880991    -13.18066071
  H     14.93905293      3.69962654    -14.00372468
  H     13.87651049     10.56359649    -13.35407662
  O     13.20494856      8.12886731    -15.09934344
  H     15.51422001      2.46092732    -13.27907150
  H     16.23665863      7.35170556    -14.28179489
  O     10.67328479      9.35793392    -11.82694976
  H     13.45816449      8.31867518    -16.01032495
  H     15.46421583      7.29077665    -12.92517576
  O     14.03937536      4.30758526    -15.32042007
  H     14.03140778      7.91035061    -14.63858735
  H     17.72495422      5.97046055     -9.68527754
  O     18.94382466      9.15866462    -15.04159937
  H     11.41115852      9.76391314    -12.30078752
  H     16.64009896      6.38284519    -10.71056724
  O     17.74435763      5.02912797    -13.04968574
  H     10.99043098      9.19730390    -10.93009469
  H     14.28696016      8.94187407    -18.43256770
  O     11.84235798      8.47120767     -9.34192119
  H     14.51574603      4.86707423    -15.95255101
  H     15.23034365      9.13581021    -17.22302700
  O     17.62056503      6.65208863    -15.23334213
  H     13.21209367      4.75405690    -15.11285834
  H     16.13554234     10.39392063    -15.61341821
  O      9.74675876      6.94425640    -12.67784374
  H     18.76839228      9.63681077    -14.21644855
  H     17.37851154      9.70777739    -16.17296136
  O     11.24883365      6.05081989    -10.41143685
  H     19.84682516      9.35474776    -15.28201532
  H     11.08055510      6.17032714    -13.75613745
  O     13.16518495      4.71071670    -11.98233610
  H     16.95428847      4.47374257    -13.02723815
  H     12.30323978      6.67470443    -14.55278456
  O     13.04473054     10.11776741    -13.14591512
  H     17.81559449      5.45206773    -12.18681502
  H     16.31815900      6.17635730    -16.46511695
  O     15.55726633      7.78328391    -13.74823249
  H     11.65502333      7.56685029     -9.65304034
  H     15.15859125      6.83120632    -17.24552839
  O     17.59550141      6.41933324    -10.51740023
  H     11.49294318      8.53651989     -8.45746568
  H     16.54765676     10.80770473    -13.39050956
  O     14.48155327      8.61271726    -17.55920314
  H     17.80682517      6.04207032    -14.50139780
  H     15.66624166      9.59384698    -13.73886304
  O     16.51252300     10.04019800    -16.43059305
  H     18.20310386      7.41590659    -15.15602210
  H     14.32622056      5.95144681    -11.45290747
  O     11.89906090      5.87921620    -14.17607754
  H      8.80809603      6.98577726    -12.84007747
  H     14.62292127      7.43485509    -11.01849453
  O     15.50107489      5.98259427    -16.94508669
  H     10.03106760      7.84549934    -12.44234615
  H     17.93109495     10.10170451    -11.97795710
  O     15.70599310     10.56399484    -13.78920527
  H     11.90563297      5.45747086    -10.79754825
  H     18.79588909     11.34153757    -12.30079830
  O     15.02439544      6.58682629    -11.25299040
  H     10.63114182      6.25096196    -11.12645705
  H     16.12597076      9.29062709    -10.65994899
  O     18.34018765     10.60740748    -12.70425680
  H     12.73491584      5.07921723    -12.76930824
  H     17.34017193      8.32454244    -10.62481514
  O     17.08579150      9.24685270    -10.75063446
  H     13.86898418      4.12881317    -12.29543199
  H     13.42659822      8.99641202    -10.12319416
  O     14.17345087      9.14190897    -10.71954821
  H     12.93803202      9.45439112    -13.84360463
  H     13.80376353      9.48837322    -11.54268906
          69
 Energy    -247.92527221977508     
  O     15.87900474      5.98613465    -13.35767320
  H     16.62097185      5.97439611    -12.73661375
  H     20.52247109      5.65208777    -13.52510708
  O     19.36815957      8.68034285    -12.43735938
  H     15.24949350      6.64826205    -13.03947876
  H     15.81235296      9.22999263    -17.77496641
  O     17.87465117      7.28585721    -18.48732033
  H     18.86956657      9.30299558    -12.98450111
  H     16.65084484     10.48212140    -17.50773148
  O     15.55552825      5.59432914    -18.07233514
  H     20.03347698      8.28702600    -13.01634737
  H     17.80800594      7.35434836    -15.54728126
  O     16.23674533     10.69605149     -9.76068224
  H     17.52378870      8.18732402    -18.45155614
  H     16.67324231      7.12664558    -14.49885506
  O     14.30310696      8.14434118    -12.55258711
  H     17.11003059      6.69747679    -18.47429954
  H     14.62923297     11.38081373    -13.75932012
  O     17.74340673     10.19213377    -14.11530329
  H     15.75489507      5.14212692    -17.23258738
  H     13.54430418     12.32732335    -14.32491182
  O     18.96718418      3.90392355    -15.55339609
  H     15.11265692      4.95872891    -18.62764061
  H     16.42278500      7.16568281     -9.34250267
  O     15.01170462      8.07425418     -9.81208860
  H     17.10372773     10.25097506     -9.75322648
  H     17.17431693      6.25971541     -8.33524161
  O     19.31673351      6.60458742    -16.31690861
  H     16.24634659     11.33247296     -9.05126081
  H     13.57298145      8.58186513    -15.60120870
  O     16.17972841      4.43713307    -15.70062541
  H     13.71821214      8.29093828    -13.31020379
  H     13.33845986      9.91694075    -14.88558326
  O     20.01369953      4.87847061    -13.25446204
  H     14.81065322      8.96367961    -12.48069001
  H     21.87577948      7.58752460    -14.66377501
  O     16.55530969      9.74551287    -18.11907318
  H     17.54963322     10.84304867    -14.79900027
  H     20.44589017      7.17216830    -15.07832191
  O     17.06486443      7.77572093    -15.09829388
  H     17.48930008      9.32914100    -14.48522053
  H     17.86657191      6.31085379    -10.80629104
  O     14.21772144     11.70125751    -14.58094546
  H     19.33615271      4.15504405    -14.68782282
  H     18.48595776      7.10995574    -11.98644152
  O     17.28846676      6.77103992     -9.13129179
  H     19.40417202      3.09829753    -15.81633470
  H     18.26081564      8.40201988     -9.47595302
  O     13.08247016      8.98924079    -14.87211132
  H     15.26722307      9.00072668     -9.72571522
  H     18.95455046      9.12207594    -10.65677616
  O     21.01627855      7.36655485    -14.31401956
  H     14.61847660      7.98265577    -10.68977500
  H     16.41957573     10.50931921    -12.94624784
  O     18.11230082      6.25268772    -11.73794471
  H     18.92283601      6.85038011    -17.16946363
  H     15.81507989     10.78228160    -11.52732702
  O     18.53259253      9.26992064     -9.80013592
  H     19.19986015      5.65405782    -16.19475899
  H     16.71200944     12.75255767    -16.39404798
  O     15.59595289     10.65933650    -12.45903044
  H     17.10214143      4.16379466    -15.62446045
  H     15.71311382     11.83364048    -15.65953758
  O     16.58509508     11.85838823    -16.08432148
  H     15.95447767      4.86486271    -14.86418306
  H     14.88881648      7.15887577    -17.29196348
  O     14.83402383      7.97148766    -16.77436061
  H     19.34961320      5.21146133    -12.63509459
  H     15.61180912      7.96045364    -16.19587447
          69
 Energy    -247.92526700000360     
  O     13.34018594     12.97215488    -14.35320905
  H     14.12363222     13.38974004    -14.72803377
  H     14.89050231      8.75464655    -18.47602448
  O     17.46390758      6.39031051    -13.88883016
  H     13.06658120     12.33451196    -15.02316041
  H     16.14649504     10.89761922    -12.61825009
  O     19.42801153     10.62988395    -11.56111024
  H     17.38171486      6.74150621    -14.78342565
  H     16.73655003      9.44803260    -12.70961981
  O     17.55802506     13.58474912    -13.70078625
  H     16.59104160      6.05938212    -13.64121341
  H     14.11215443     11.07431608    -16.57990005
  O     14.81301931      5.69878090    -13.07153735
  H     19.57472177     11.09727080    -12.39099571
  H     13.32719439     10.34104642    -15.47031061
  O     14.39293772      7.50615841    -11.07990873
  H     19.09209876      9.75342213    -11.80070748
  H     17.57358215      8.09320038    -11.19107420
  O     13.33697885      8.42646423    -17.74947508
  H     16.92106959     13.72415724    -14.41095703
  H     17.89032905      7.56665221    -12.64138092
  O     16.60853000      8.48364673     -9.54712657
  H     17.05678506     13.28114760    -12.93040786
  H     11.49814246      9.40072521    -11.72407167
  O     16.89919681      7.84991155    -16.32682235
  H     14.53284325      4.84979378    -12.73957168
  H     12.78273294      9.43429359    -12.58573121
  O     14.34301248      7.01707074    -15.50004250
  H     14.65418051      6.34331692    -12.35939225
  H     16.56784707     12.04883814    -10.79152480
  O     17.73088291     10.31554898    -15.32950971
  H     13.71443728      8.18665181    -11.16972323
  H     15.20944255     12.40351172    -11.50465261
  O     15.80287980      8.98464924    -18.72906290
  H     15.08260540      7.88042657    -10.52036968
  H     18.93705519     12.60136746    -13.95432979
  O     16.13885265     10.07920795    -13.13208251
  H     13.08724841      9.26292316    -17.33397866
  H     20.42026880     12.44047765    -14.37500433
  O     13.21780349     10.86031554    -16.28270701
  H     13.50618213      7.80905979    -17.02548003
  H     18.06750865     11.59821231     -8.86077599
  O     17.99472410      8.31056511    -12.02979915
  H     16.91365570      9.40344210     -9.50320129
  H     18.36346777     10.97623609    -10.24896823
  O     12.44485668      9.51090772    -11.67541526
  H     16.79944558      8.09440151     -8.69636011
  H     15.89244160     10.67485939    -17.82396255
  O     16.17639827     12.39673477    -11.59876798
  H     17.29635634      8.64993660    -15.95312632
  H     16.59063138     11.04378186    -16.50567090
  O     19.65262235     11.95194396    -14.09132558
  H     16.64118306      8.09380096    -17.22396019
  H     13.08463712     11.35886481    -11.57590142
  O     17.68040510     11.07634873     -9.55887529
  H     15.24049100      7.27033787    -15.76279948
  H     13.34565858     12.50889896    -12.58664934
  O     15.91832163     11.34845398    -17.13424460
  H     14.42629947      6.44384647    -14.72740080
  H     15.59721865     14.53586219    -16.45483242
  O     13.49050394     12.22636519    -11.66992482
  H     17.13269883     10.27555814    -14.56699826
  H     15.77042871     13.00481364    -16.38714611
  O     15.68759033     13.80590706    -15.84593688
  H     18.50893498     10.79997689    -15.03175053
  H     13.85293041      8.46907018    -14.54655377
  O     13.69927590      9.29308569    -14.06702064
  H     15.89277774      8.77491046    -19.65465017
  H     14.55666149      9.58955316    -13.72330118
          69
 Energy    -247.92526456052485     
  O     12.49278490     11.32652288    -14.07929352
  H     12.65459096     10.70179842    -14.80005259
  H     19.26438084      6.73888091    -14.87714956
  O     15.92233283      6.74244748    -13.20918817
  H     13.19181739     11.98804339    -14.13196989
  H     15.21808554     11.56006171    -17.26637117
  O     18.49707575     10.56840642    -11.94754192
  H     15.25762451      6.58090761    -12.52654177
  H     16.48066796     11.50557996    -16.40333921
  O     17.54812655     10.07491482    -15.95182146
  H     16.72756109      7.03001214    -12.75878649
  H     15.56442836      8.37019808    -13.92343648
  O     12.63175027      6.67254364    -15.71859988
  H     17.60103608     10.89607639    -12.12940828
  H     14.69935281      9.29502133    -14.84728712
  O     14.03121812      6.66806692    -11.20496055
  H     18.78638155     10.99130612    -11.14224773
  H     11.09455702     10.15825512    -11.51614311
  O     15.89522473     11.23361036    -12.51032909
  H     18.40105275     10.06661096    -15.49868805
  H     12.09218630     10.42371172    -12.66936349
  O     16.41658713      8.24477501    -17.66428932
  H     16.88159265      9.76687120    -15.31880573
  H     17.24450272      7.87504279    -10.30151244
  O     15.30163495      5.72943551     -8.95758566
  H     12.43223526      6.83096602    -14.77679429
  H     15.96156115      8.61907193     -9.86695826
  O     18.25123307      6.30899978    -16.26860562
  H     11.92348548      6.13368590    -16.06068631
  H     11.93743955      8.13170240    -12.80649875
  O     15.45219032      6.20846482    -15.85854286
  H     14.35938365      6.19943823    -10.42520634
  H     12.71084886      6.85882392    -12.45949421
  O     19.81460775      7.00137377    -14.11970122
  H     14.18970695      7.60986043    -11.04681570
  H     19.92388442      8.91793610    -14.30786190
  O     15.70443010     12.05118729    -16.59632200
  H     15.73282809     10.50142579    -13.12947890
  H     19.48411177     10.19504632    -13.55646634
  O     15.49202862      9.25685015    -14.29769876
  H     15.54766757     12.01571015    -12.95342530
  H     18.30073192      8.72925857    -11.96121825
  O     11.90275447      9.84190071    -11.91115167
  H     16.91283201      8.87898110    -17.12240529
  H     18.80750550      7.42467242    -12.61954441
  O     16.67362097      8.05292614     -9.54321893
  H     16.05127838      7.58422529    -17.06000867
  H     15.19374775      9.39096008    -18.22712065
  O     12.13793525      7.24788262    -13.13480927
  H     15.86437580      6.51760938     -9.04548570
  H     14.32959543     10.10268861    -19.29493854
  O     19.80758214      9.87112293    -14.40642734
  H     15.29428781      5.51267426     -8.02937389
  H     14.98194550     10.12490397    -11.29908599
  O     18.18185324      7.76984269    -11.96891389
  H     17.34858285      6.01040928    -16.09392433
  H     13.55651439      9.60511398    -11.07689032
  O     14.50190958     10.06331983    -18.35818498
  H     18.14839321      6.92492538    -16.99859866
  H     14.69179280     14.04784880    -14.36795481
  O     14.47766713      9.45085335    -10.82573020
  H     15.64571438      6.29856147    -14.91232086
  H     15.08210761     12.76073359    -15.12838883
  O     14.73531078     13.09915257    -14.28318452
  H     14.49118511      6.24328126    -15.92321273
  H     13.56621276      9.63168289    -16.83560742
  O     13.23472598      9.39814603    -15.95904924
  H     20.58613747      6.44036900    -14.13907970
  H     12.95271206      8.47487537    -15.98252410
          69
 Ord_Energy   -247.925171    
 O   -4.88602638       3.56722951      -2.35231090    
 H   -5.24529934       3.51906300      -3.23427200    
 H   -4.93303442       4.50299454      -2.08070397    
 O   -4.30695486       8.47208405       4.04986811    
 H   -4.64617443       8.96092033       3.29062414    
 H   -4.49338484       7.54360104       3.86027694    
 O   -2.17855692       2.97087455      -1.58166945    
 H   -3.06788659       3.11015534      -1.93024814    
 H   -1.88523233       3.83563161      -1.26373601    
 O   -2.66682529       9.16034508      0.432653606    
 H   -2.01646209       8.89003181       1.09787393    
 H   -3.49885678       9.33352947      0.884072959    
 O   -2.28926039       1.80201316      0.880575061    
 H   -1.46496880       1.96583259       1.35308635    
 H   -2.18277788       2.10885167      -3.41149010E-02
 O   -1.80959892       5.42374039     -0.217990279    
 H   -2.01634383       6.19560575     -0.758203089    
 H   -2.63580561       5.12620354      0.190836072    
 O   -4.70449162      0.638713896       1.30943203    
 H   -4.68998957     -0.310247749       1.21643603    
 H   -3.79483414      0.951145589       1.15802276    
 O   -3.82246804       4.16608858       1.25314641    
 H   -4.64270878       3.84751105      0.854228199    
 H   -3.24284720       3.39671922       1.31631351    
 O   -7.72130564E-02   2.59505606       2.40476060    
 H   0.827305198       2.31643367       2.52120590    
 H   -5.95755987E-02   3.56039500       2.29179716    
 O   -2.62129092       7.63728619      -1.74556339    
 H   -2.63314056       8.24803638     -0.984499454    
 H   -2.17368889       8.08747482      -2.45578432    
 O  -0.790785849       8.24552536       2.26287794    
 H  -0.430514723       7.35737038       2.17517591    
 H   -1.01698530       8.34889698       3.19531989    
 O   -6.65799665       4.06981945       4.12668800    
 H   -6.06564426       3.29970169       4.03698969    
 H   -7.16689968       3.93523288       4.92120886    
 O   -4.90818977       2.05365229       3.82403898    
 H   -4.89499426       1.50242937       3.03513312    
 H   -3.98498464       2.25559211       4.03774023    
 O   -4.97533655       6.11881113      -1.48604560    
 H   -5.36693430       6.40718317     -0.653182328    
 H   -4.21971512       6.69685459      -1.65161848    
 O   -5.29722595       9.45340443       1.57370150    
 H   -5.67918730       8.60287380       1.30007899    
 H   -5.92122269       10.1284876       1.31866086    
 O   -1.75475466       8.33916187       4.95561600    
 H   -1.58641183       8.92107201       5.69124699    
 H   -2.67692637       8.48990631       4.67879009    
 O   -6.06501961       6.85866213       1.05251420    
 H   -5.47139978       6.58272648       1.76149774    
 H   -6.78712988       6.21300316       1.08923662    
 O   -4.63478041       5.75294590       3.27675891    
 H   -4.27444029       5.17436361       2.58370948    
 H   -5.36587191       5.26902914       3.68492198    
 O   -6.01095963       2.83672523      0.103956699    
 H   -5.69201279       2.94652510     -0.801982284    
 H   -5.67391825       1.99728060      0.442882240    
 O  -0.347257346       5.32391930       2.13339734    
 H  -0.979503512       5.43383932       2.85868764    
 H  -0.826741397       5.39618921       1.29358864    
 O   -2.26469254       2.78847504       4.30854130    
 H   -2.15456796       3.72647381       4.51169014    
 H   -1.50120044       2.56015825       3.76793456    
 O   -7.64363480       4.67092991       1.46860242    
 H   -7.22015762       3.98151302      0.938259721    
 H   -7.45765305       4.43974447       2.38665247    
 O   -2.06140661       5.60666180       4.36188459    
 H   -2.97616243       5.66516495       4.05395603    
 H   -1.84386802       6.47788954       4.71551704    
          69
 Energy    -247.92502482825847     
  O     19.06938695      9.45058851    -14.95356830
  H     18.21000560      9.50630787    -15.38880680
  H     19.19734676      4.41688424    -12.70909089
  O     21.81873120      7.33384221    -13.46320289
  H     19.37116765      8.54322633    -15.06868491
  H     15.38526621      9.60096198    -14.74162297
  O     16.39344496      8.27079142     -9.72485944
  H     21.49609022      7.72539967    -12.63403654
  H     15.67764689      9.69394642    -13.22348332
  O     13.11407687     10.65485463    -12.07559533
  H     22.71974515      7.06903400    -13.29956964
  H     18.28422142      6.98321571    -13.62594861
  O     16.49154946      9.34891914    -16.22779867
  H     15.94479425      7.49355319    -10.08789394
  H     17.39010610      7.92552375    -12.76198025
  O     11.72233460      8.15574473    -11.92573801
  H     15.68297871      8.88776897     -9.49353937
  H     14.39575868      6.43580148    -13.84493013
  O     18.65723383      5.35121336    -11.07851134
  H     12.83255444     11.54018203    -12.29395651
  H     14.25996370      7.95473732    -13.56468644
  O     14.70004567      6.29474787    -10.74433324
  H     13.72793598     10.37962139    -12.77583361
  H     18.07803509      7.80803046     -9.33280761
  O     16.24025130      3.94679675    -11.03312707
  H     16.35928443      9.73274845    -17.09113568
  H     19.19271552      7.52713513     -8.30315059
  O     16.52064538      2.94008674    -13.52549698
  H     16.70664282      8.40955928    -16.37242219
  H     13.79907316     10.12596838    -10.31129557
  O     19.62075408      6.56813403    -14.84904538
  H     12.01983823      9.07242182    -11.98378265
  H     13.48443448      8.99010362     -9.32461745
  O     19.13989849      4.15405590    -13.63717034
  H     12.32080327      7.66047632    -12.50290544
  H     20.18856060      8.22314552    -10.55233705
  O     14.96055955      9.65103106    -13.87710618
  H     18.92219443      5.93574881    -10.36157618
  H     20.34998363      9.34191896    -11.61034787
  O     17.54305162      7.00598828    -13.00517231
  H     18.22916106      5.92816802    -11.73144967
  H     19.39959612     10.29483343    -13.46793767
  O     13.90375032      7.08795063    -13.32822067
  H     13.94273029      6.52483314    -10.19130409
  H     19.85966465     11.56688628    -12.71177418
  O     19.00012084      7.51742266     -9.23776419
  H     14.46546277      6.55430769    -11.64615159
  H     15.94369511      4.52960724    -14.27062835
  O     14.08920353      9.72690182     -9.48259908
  H     15.62431233      4.67520318    -10.88180612
  H     16.37117671      5.97742391    -13.91759875
  O     20.76547346      8.54732661    -11.25289721
  H     17.12118590      4.32298112    -10.89827476
  H     16.66380553      6.21507293    -15.94173725
  O     19.47668791     10.70313114    -12.58576274
  H     16.36824917      3.22275603    -12.60474925
  H     18.13707528      6.62484019    -16.13105671
  O     15.78624597      5.45563861    -14.49109901
  H     16.25925305      2.02547961    -13.58107943
  H     11.71391363      7.04962536     -8.90170307
  O     17.24917323      6.76601258    -16.48048792
  H     20.45926065      6.83477267    -14.44001265
  H     12.06661299      7.61842366    -10.29837308
  O     12.43725722      7.37382181     -9.43079949
  H     19.47169296      5.65236207    -14.56235754
  H     16.84446917      9.23872225    -11.19588810
  O     16.98401010      9.59492323    -12.08321856
  H     18.32132639      3.64923493    -13.70900875
  H     17.82499783     10.06716597    -12.11402737
          69
 Energy    -247.92488558821799     
  O     15.39977215     12.01516048    -13.33310228
  H     15.93728941     11.80950176    -12.55978565
  H     14.12422647      8.08772522    -16.73678165
  O     14.79731595      6.07363779    -14.52438084
  H     15.75756958     11.49936261    -14.06926835
  H     18.39180892      5.29169538    -14.06428189
  O     16.10146481      6.18331941    -10.37687255
  H     15.33771392      6.81484207    -14.20870923
  H     18.59623885      4.90231572    -12.59194464
  O     19.80268843      7.93060766    -12.52427382
  H     15.02805647      5.33137523    -13.95326005
  H     19.47619526      9.61956817    -12.24202750
  O     13.24267318      9.43247103    -15.48420382
  H     15.93843964      7.12446997    -10.53627470
  H     19.96634179     11.02951499    -12.60586621
  O     11.96086641      7.13977674    -10.13839528
  H     15.37506316      5.87257198     -9.82195426
  H     16.11285258      8.37719019    -12.63785578
  O     12.44917187      7.29095673    -13.85440013
  H     19.52200816      7.24331032    -11.90847572
  H     16.21516227      8.91965604    -14.09664579
  O     15.55466982      8.82011351    -10.97263421
  H     19.53687555      7.62691084    -13.40208166
  H     13.69760669     11.73773446    -13.41656586
  O     17.29531676      8.38674570    -17.14297198
  H     12.98231865     10.19928516    -14.95832384
  H     12.23889650     12.24847793    -13.51516568
  O     11.05578589      5.44780437    -12.27072101
  H     12.87612960      8.67297105    -15.00880563
  H     13.34780716      4.27556243    -10.56208884
  O     18.47889721      7.04622979    -14.84853674
  H     12.23996865      7.94966758    -10.58331421
  H     13.98811482      3.90014422    -11.90974189
  O     14.75826881      7.40600731    -16.98426183
  H     11.50765789      6.61369965    -10.80972276
  H     19.22580680      5.39069173    -10.13873557
  O     18.26930706      4.56809778    -13.43638174
  H     13.24146998      6.78298360    -14.08680754
  H     17.87094084      5.93669359    -10.63613949
  O     19.28343457     10.56580644    -12.12863552
  H     11.84957588      6.67710442    -13.41396286
  H     15.78998851      5.00664879    -11.82959124
  O     16.32325958      8.13324183    -13.54571993
  H     14.63366833      8.99015396    -11.21927032
  H     16.56299965      4.25259754    -12.92884800
  O     12.76878932     11.45621564    -13.50688910
  H     16.00472808      9.66999954    -10.88774654
  H     13.12208624      6.08161101     -9.37090855
  O     13.14348850      3.93286411    -11.44071564
  H     17.58810710      8.46701531    -18.04711441
  H     13.51575580      5.21982373     -8.14772445
  O     18.80260992      5.81619797    -10.88082564
  H     16.41466966      7.97120800    -17.17255870
  H     12.81402296      8.48323467    -12.53841252
  O     15.68232803      4.35937266    -12.53978359
  H     10.27660000      4.91097966    -12.38590239
  H     12.81319531     10.00680125    -12.29811453
  O     13.75609805      5.41526605     -9.04937578
  H     11.78270086      4.84266747    -12.03500544
  H     17.78479780     11.01260627    -11.42095839
  O     12.95813758      9.16021609    -11.85993741
  H     17.76829868      7.38475152    -14.27960728
  H     17.10195414     11.85424045    -10.31645250
  O     16.92287392     11.25452265    -11.03602478
  H     18.28021210      7.40151399    -15.72031861
  H     16.49913160      9.73209078    -16.03720108
  O     15.96316253     10.18805327    -15.37677109
  H     14.75278564      6.77067664    -16.25366622
  H     15.04161035      9.92418354    -15.51970775
          69
 Energy    -247.92473898017667     
  O     17.10900915     10.56674601    -11.12360728
  H     16.36311110     10.18130437    -11.60099119
  H     17.70818774      5.40964690    -12.92484093
  O     15.18534604      5.92860036     -6.86951139
  H     17.90472909     10.09812136    -11.41730950
  H     16.61103800      7.59880258     -8.98042745
  O     13.12744973      6.78464051     -8.73375233
  H     15.17409801      5.19854823     -6.25645591
  H     16.32031630      6.23395220     -8.31857421
  O     14.98160891      9.15235851    -12.29709907
  H     15.42769591      6.72053270     -6.35656204
  H     19.05032277      8.49002655    -13.40191392
  O     19.44063266      9.20548320    -11.74772968
  H     13.14864041      7.74135802     -8.60283422
  H     18.82806145      7.01828563    -13.77865166
  O     21.02195892     10.72302627     -9.99500872
  H     13.72614441      6.42093400     -8.06959827
  H     16.92406038     12.40001814     -6.96200283
  O     19.16205698      6.80214312    -10.39025731
  H     14.87988321      8.31955943    -11.81240049
  H     18.14136174     13.11140122     -6.32725990
  O     15.18328466     12.24388800     -7.11689652
  H     15.29471312      8.91973271    -13.18027297
  H     15.97411954      8.37822964    -15.62396624
  O     13.00307108     10.57236754    -10.96144514
  H     20.10346381      9.72738700    -11.28012260
  H     17.05130815      8.17037708    -14.53342448
  O     13.78037513     10.16702907     -5.82539553
  H     19.34259847      8.37453118    -11.25813126
  H     16.88692552      9.48404776     -8.07085873
  O     13.58695365      9.58858021     -8.46499966
  H     20.28601135     11.34224905     -9.83746133
  H     16.62904749      9.79947150     -9.58705227
  O     18.67124341      5.36652271    -12.78517684
  H     21.81877762     11.24339045    -10.04227244
  H     18.12320553     11.83866398    -10.13672389
  O     16.76961784      6.64562094     -9.06645881
  H     19.10313079      6.22851314    -11.16448262
  H     18.48226388     12.34264319     -8.71070820
  O     18.71806788      7.91876638    -14.10800354
  H     18.34068061      6.66747934     -9.89360337
  H     15.18999491      8.88915954     -5.53489252
  O     17.89581903     12.40075817     -6.91430627
  H     14.80125456     12.08743151     -7.98087760
  H     16.68874575      8.64296000     -5.82887844
  O     16.09085817      8.21480054    -14.69213408
  H     14.73413005     11.61995821     -6.52968346
  H     15.53997725      6.60556571    -10.42333117
  O     16.28444826      9.33655176     -8.81211339
  H     13.66103759     10.12529418    -11.51735439
  H     14.01513345      6.66489692    -10.34765275
  O     18.82145620     12.24756996     -9.60868676
  H     12.26816724     10.77490752    -11.53510226
  H     20.48234316      9.31046890     -8.81883485
  O     15.86883867      8.20513633     -5.56239387
  H     12.95399947     10.14427765     -5.34970743
  H     19.88189840      7.89608090     -8.92449343
  O     14.75077960      6.70702750    -10.97322982
  H     13.58279045      9.92406245     -6.74831605
  H     18.14405824     10.54219399     -6.66347423
  O     20.04979774      8.61651086     -8.30603008
  H     14.54310698      9.45802462     -8.57394935
  H     18.80513756      9.21885227     -7.18101655
  O     18.04765989      9.58308768     -6.69613630
  H     13.25974962      9.96113539     -9.29501377
  H     15.46572256      5.91573486    -12.49070143
  O     16.01291391      5.70575103    -13.25978836
  H     18.95370412      4.50894843    -13.09188935
  H     15.93415446      6.46487616    -13.84951937
          69
 Energy    -247.92460971674598     
  O     12.13677971      9.49634550    -10.45703166
  H     12.48141613      8.83641599     -9.84489496
  H     16.66982081      4.70812913    -12.36539923
  O     14.10631226      3.99121560    -14.13181097
  H     12.86906829     10.10091021    -10.63585742
  H     14.29412075      7.82825220     -8.71821203
  O     14.19366775     11.87737212    -13.81026625
  H     13.93141216      3.08794132    -14.38102793
  H     13.10811921      7.11744250     -8.01776772
  O     15.92179336      8.37950694     -8.74038234
  H     14.71757573      3.96419490    -13.37386485
  H     20.36134675      7.75858656    -14.94285674
  O     18.54404041      9.87327374    -10.66260902
  H     13.41477293     11.42232860    -14.14999079
  H     18.90226366      7.63475441    -15.45296321
  O     11.07960442      8.69252303    -12.85713986
  H     14.21630976     11.70730913    -12.85835520
  H     11.61809785      9.75906809    -14.08763565
  O     16.64655438     11.66587913    -14.91674542
  H     16.10177269      9.32188042     -8.84313997
  H     11.33601285     10.57066314    -15.37710451
  O     14.45182123     10.93876943    -11.19153638
  H     16.54790350      7.91637832     -9.30952312
  H     12.94094963      5.45337847    -13.73088964
  O     17.72336293      7.36773588    -16.66610289
  H     18.48020365      8.92807817    -10.48073102
  H     13.00553026      6.96931761    -14.03185709
  O     17.69122109      6.25434608    -13.06320703
  H     18.40184807      9.95195281    -11.61692766
  H     14.49873718      8.55865139    -14.10034736
  O     15.73809290      6.08922805    -15.10337367
  H     11.36146230      7.77710799    -12.95208374
  H     13.31853951      8.98300029    -15.02196380
  O     15.85919788      4.28252657    -12.06495738
  H     11.37312638      8.98188633    -11.97868110
  H     13.64979603      6.43727780    -11.93053396
  O     13.39310821      7.48027544     -8.85168298
  H     16.94328495     12.53624160    -15.16870681
  H     13.96296316      6.73980366    -10.43290657
  O     19.45182563      7.78295459    -14.66064924
  H     15.75973732     11.77483544    -14.52748001
  H     18.34534555      6.37587671     -9.97236904
  O     12.03750781     10.26333336    -14.80979295
  H     15.11927752     11.12510310    -10.52134519
  H     17.77959745      6.81465237    -11.33387581
  O     12.60207832      6.31236087    -13.44865530
  H     14.75573386     10.14738915    -11.66335940
  H     17.32503173     10.75075883     -9.78702507
  O     14.02689420      8.33350206    -14.91999476
  H     17.09680902      6.73749042    -16.28887641
  H     16.88350871     11.77558394     -8.71351539
  O     14.35693978      6.46829510    -11.27096892
  H     17.20649675      8.17326255    -16.81904425
  H     15.24045104      7.93070499    -12.05568834
  O     17.89184226      7.09283991    -10.41161962
  H     16.96757775      6.23602164    -13.70584606
  H     16.30877482      8.88481782    -12.75046739
  O     16.55554013     11.10309314     -9.30421040
  H     18.43081098      6.66858050    -13.52441215
  H     17.53222489     10.40017424    -13.91229879
  O     15.37017203      8.72924959    -12.58303530
  H     15.19161107      5.31515470    -14.92330931
  H     18.45828867      9.13481900    -13.85503860
  O     17.88195497      9.70845976    -13.33562138
  H     15.14123129      6.84766609    -15.14918112
  H     16.25469462     10.32312244    -16.19345004
  O     16.00244916      9.53654269    -16.69244348
  H     15.35188060      4.99109563    -11.63818280
  H     15.25585479      9.16212536    -16.21183420
          69
 Energy    -247.92453454281679     
  O     16.14694967      9.75023722    -11.91116560
  H     16.41390001     10.66729792    -11.76057667
  H     12.47639989      9.31722621     -9.89131150
  O     14.40437866      6.52943987     -6.99035447
  H     15.95807616      9.37118361    -11.03863728
  H     13.67137278     10.44856442     -7.81562821
  O     16.95214376     12.22881244    -11.11412689
  H     14.88803972      6.17954351     -7.75155560
  H     14.67307566     10.21422053     -6.66855664
  O     11.81478262      6.79003775     -8.11111124
  H     13.47912129      6.54548079     -7.26258320
  H     15.19190437      5.81229172    -10.27124702
  O     14.04464795      8.57178279    -13.15035089
  H     16.53064800     12.43119895    -10.26958917
  H     16.58541490      5.82542531     -9.58374559
  O     18.12506567      7.85719719    -12.34894236
  H     17.89638767     12.14883572    -10.92906529
  H     17.45838677      5.07495340    -13.71637292
  O     20.11489796      9.08533298    -10.93798126
  H     10.96902428      6.50169595     -7.77866289
  H     17.38501066      6.54350510    -13.24170562
  O     18.24887745      6.08181814    -10.10718165
  H     11.86723225      6.49387838     -9.03745916
  H     17.57320588     12.16367969     -8.00088237
  O     11.98344164      6.27283915    -10.76995171
  H     14.77935606      9.08274631    -12.77575784
  H     18.15572785     10.78034117     -7.68374934
  O     15.85928550     12.76063979     -8.49048901
  H     14.33834008      8.22993946    -14.00534340
  H     15.72647407      7.71498195    -16.10147660
  O     11.84024376      9.00386905    -11.64032083
  H     18.92497313      8.25983491    -11.97912212
  H     15.83267101      6.79314838    -14.87798756
  O     12.83330181      9.27973913     -8.99520291
  H     17.43616169      8.53269714    -12.27902050
  H     15.58338017      7.68763363     -9.47342059
  O     14.30909091     10.89685345     -7.24427718
  H     20.11737785      8.66478340    -10.06951958
  H     14.64342873      8.90773128     -9.26662697
  O     15.63157021      5.87755960     -9.41375245
  H     19.99226437     10.02903741    -10.77474533
  H     19.29661543     11.78410731     -9.37252972
  O     16.87818569      5.83059747    -13.66935105
  H     18.20009756      6.66328380    -10.87694606
  H     20.34876100     12.48862807    -10.26102200
  O     18.40767102     11.69327856     -7.87467227
  H     18.84261393      6.52292388     -9.48793317
  H     15.05051046      7.90156398     -6.14900978
  O     15.23502761      7.39330477    -15.34880125
  H     12.79211323      5.97504011    -11.20373811
  H     15.32770939      8.56361364     -4.77891192
  O     15.54451099      8.65337275     -9.50037748
  H     11.80122916      7.15037362    -11.13030689
  H     14.33940963      6.91851380    -12.31419102
  O     19.66792467     11.82074693    -10.27229682
  H     15.30039008     12.09634431     -8.05140658
  H     15.29976941      5.74861560    -12.53450849
  O     15.41536727      8.69642539     -5.71873241
  H     15.48611078     13.61092078     -8.27172639
  H     20.36698563      7.65340088     -7.66929117
  O     14.55066441      6.02950158    -11.99675430
  H     12.59836843      8.90774376    -12.24328942
  H     18.97931318      8.22460459     -8.03969854
  O     19.76674821      7.78244991     -8.39902353
  H     11.16834545      9.48218491    -12.11906549
  H     16.87385369      9.00437381     -8.31532673
  O     17.48115841      9.05441849     -7.56226820
  H     12.45531866      8.49050982     -8.58568373
  H     16.92477360      8.92821573     -6.78419904
          69
 Ord_Energy   -247.924530    
 O    5.06462669       1.89299023       8.68937588    
 H    4.53916502       2.65777278       8.95132828    
 H    5.49247694       2.15057993       7.86363840    
 O    6.70538998       1.34555078       10.9786406    
 H    6.17183304       1.58016217       10.2032299    
 H    6.65850735       2.10865808       11.5672045    
 O    1.67850220       2.89502621       9.97266197    
 H    1.59801948       2.37265086       9.16240406    
 H    1.05363286       2.48365092       10.5873985    
 O    5.99274206       3.66306710       12.4097738    
 H    5.11006021       3.27428770       12.2646999    
 H    5.99674749       4.01172400       13.2966003    
 O    6.18602419       2.98924613       6.32266092    
 H    6.29285526       2.11238623       5.92068958    
 H    6.99174261       3.22902250       6.79654264    
 O    4.51782751     -0.381941795       11.4059172    
 H    4.56315660     -0.704895318       10.4934015    
 H    5.35710621       7.98375309E-02   11.5279703    
 O    2.35638070       2.12095809       5.45499182    
 H    1.82172084       1.93117893       6.23875141    
 H    2.82428598       2.94310570       5.63868904    
 O    2.53544307      -1.17171562       7.36699057    
 H    3.36112523      -1.14940262       7.87342739    
 H    2.78836870      -1.00698292       6.45069027    
 O    3.49221539     -0.258543909       4.86286879    
 H    3.10115790      0.622692585       5.00851917    
 H    3.24739981     -0.523042560       3.97973180    
 O    8.22765732       3.69328165       8.10113430    
 H    7.60566187       4.08839178       8.73906898    
 H    8.95720482       4.30187702       8.01904297    
 O    8.48260975      0.941624165       8.87304306    
 H    8.03149509      0.984981894       9.72767258    
 H    8.50688744       1.85208702       8.55605125    
 O    7.40015221      -1.14601386       7.52584934    
 H    7.84608984     -0.411884844       7.98614883    
 H    8.04176044      -1.84552515       7.43796730    
 O    1.86394453      -1.06951201       11.8046112    
 H    1.76267767      -1.57482314       12.6089230    
 H    2.80710292     -0.853497565       11.7385721    
 O    5.46977408E-02   1.19570720       11.4015617    
 H  -0.492778689      0.863764703       10.6784573    
 H   0.657778502      0.475196302       11.6206055    
 O    4.88012552     -0.827914476       8.71275234    
 H    5.72799540      -1.10143006       8.34304905    
 H    4.86404324      0.142549843       8.66464996    
 O   -1.13955736       9.39316899E-02   9.02955341    
 H  -0.587503195     -0.703773737       9.12635326    
 H   -2.01340652     -0.200866476       8.78961849    
 O    3.89113450       4.42506456       6.12972498    
 H    3.99586654       5.18147612       5.55805540    
 H    4.74392462       3.95422006       6.13550377    
 O    1.13646960       1.23214114       7.79771614    
 H   0.264316648      0.964847803       8.11394024    
 H    1.64998579      0.417401671       7.70483446    
 O    3.77034998       4.39858913       8.95583344    
 H    3.66333437       4.48864985       7.99997616    
 H    2.93739605       4.07097769       9.32175255    
 O   0.652364790      -1.91686833       9.33495331    
 H    1.11371255      -1.71566355       10.1588888    
 H    1.29922080      -1.82225156       8.62257576    
 O    6.21147394      0.428802192       5.45846987    
 H    5.32236242      0.108134530       5.26278734    
 H    6.61002254     -0.194264188       6.07750273    
 O    6.42068624       4.77089167       9.82643509    
 H    5.50423622       4.78526068       9.51817513    
 H    6.37208223       4.50437927       10.7523508    
 O    3.68095303       2.35979009       11.8748274    
 H    2.98200393       2.59661293       11.2528667    
 H    3.86406326       1.42641640       11.7205267    
          69
 Energy    -247.92439165344649     
  O     12.49506554     12.32322604    -12.87544536
  H     12.30171705     13.24388859    -12.71766450
  H     18.71744983     12.78178165    -17.22369130
  O     19.17186751      9.37876536    -12.78332181
  H     13.27447040     12.29500305    -13.45654037
  H     13.59594439      9.75357275    -17.11947891
  O     15.87676083     10.00268604    -11.55159459
  H     18.85375070     10.20079183    -12.39735098
  H     12.65165170     10.60485893    -16.25269563
  O     11.44564085     10.50011292    -14.86712190
  H     19.19247950      9.51400071    -13.74274413
  H     16.24131180      9.17675248    -14.84495026
  O     13.60160376      7.55237205    -14.70731963
  H     15.86151270      9.76933973    -12.49396487
  H     14.83398053      8.86430414    -14.32074893
  O     14.69666523      5.82517754    -12.88100418
  H     16.57980451     10.65418813    -11.44762939
  H     13.27566182      8.45476587    -10.20510559
  O     18.60386690      6.83903722    -12.16146096
  H     11.62845936     11.19800714    -14.22656832
  H     14.40767363      7.40992296    -10.08294327
  O     14.56912907     11.98240703    -14.64298388
  H     11.28663620      9.71471993    -14.33022428
  H     18.87639072     10.61302324    -15.86214139
  O     16.10942458      7.30800067    -10.96250027
  H     12.83683774      7.87173271    -14.21111992
  H     18.43718491      9.13787544    -15.99006462
  O     16.22322460     10.82369944    -17.54007753
  H     14.03096738      6.88762443    -14.15101671
  H     16.21585516     12.80440028    -14.24361997
  O     17.06027399      6.26322436    -14.49383372
  H     13.83418324      5.63849041    -12.49030790
  H     17.62050156     12.81638781    -14.86300670
  O     18.27257937     12.29144238    -16.53740976
  H     15.18709786      6.33076368    -12.21538662
  H     18.45013332     12.44641280    -11.20762141
  O     13.41408948     10.66211951    -16.84964021
  H     19.40896544      6.39743080    -11.90596450
  H     17.72309167     12.25642533    -12.55994031
  O     15.58820708      9.45554976    -14.19601385
  H     18.84014624      7.76586922    -12.35414306
  H     14.08520427     10.08299638    -11.34005940
  O     13.46495056      7.55080919     -9.92325763
  H     14.99318158     11.14454134    -14.40192848
  H     12.81392577     10.87630018    -11.70330764
  O     19.02929051      9.72774321    -15.51028279
  H     14.14682455     11.78357638    -15.48758120
  H     16.97311268      7.43380173    -15.82593147
  O     17.14475975     12.96554646    -14.03608966
  H     16.99808333      7.04704856    -11.23644467
  H     15.96365009      7.98936919    -16.86167119
  O     18.00109757     11.80014542    -11.74542093
  H     16.07318262      8.26809888    -11.08445089
  H     12.11543874      8.92853705    -12.38338505
  O     13.11743849     10.04561788    -11.31671206
  H     16.46014708      9.92074048    -17.29942069
  H     11.59513833      7.48127152    -12.55128190
  O     16.82042888      8.16266561    -16.45089535
  H     15.27180650     10.89519715    -17.40137293
  H     11.59007254      5.25378322    -11.14665959
  O     11.62108619      8.34567791    -12.97947845
  H     16.26847243      5.91359826    -14.06996692
  H     12.56195180      6.43588739    -10.91088028
  O     12.13451294      5.89264882    -11.59875792
  H     17.67770841      6.43064745    -13.77015704
  H     13.86894692      7.70663810    -16.41287832
  O     14.13948466      7.91766291    -17.32481243
  H     17.50690091     11.85701972    -16.95371543
  H     13.70016672      7.29571088    -17.89920003
          69
 Energy    -247.92435922360471     
  O     13.00266474      9.71833975    -16.64509572
  H     12.61016342     10.56420121    -16.36214442
  H     16.87742539      8.66132264    -11.66907931
  O     11.20606874      7.63687917    -10.56516762
  H     13.27237654      9.83373130    -17.55234361
  H     15.23585260      7.75305394    -13.26511945
  O     14.04499960      8.65427332    -14.27405109
  H     11.05552887      8.51066002    -10.18797757
  H     16.24428410      6.60047757    -13.06406630
  O     11.74349228     11.97969847    -15.79658166
  H     12.15205471      7.46004229    -10.45752531
  H     13.36806752     15.53668249    -11.10279343
  O     11.55740755      8.61875702    -13.10456128
  H     13.81710289      8.92522865    -15.17284329
  H     14.19173225     14.23102981    -11.00291438
  O     14.60537598      7.59923319     -7.75602552
  H     13.20193929      8.58185418    -13.79792490
  H     14.34712754      7.36807667     -9.57630132
  O     13.82791466     10.23998810    -10.74807472
  H     12.03861934     12.44247477    -15.00161632
  H     14.69673475      7.24271128    -11.10827302
  O     12.82686888      9.66349699     -7.56186836
  H     10.81696862     11.76028284    -15.63908678
  H     18.06695098     12.05241064    -12.75819261
  O     15.70298031     13.44685145    -10.59857221
  H     11.37885395      8.11540863    -12.29917534
  H     17.32992917     10.94319922    -11.96486413
  O     11.22941645     10.53336832     -9.89802746
  H     11.23911762      9.51499099    -12.93292271
  H      9.86276964     11.14032236    -13.29289761
  O     12.51950033     12.87947581    -13.24248837
  H     14.56728525      7.01029236     -7.00726363
  H     11.15107910     11.80043054    -12.74055072
  O     17.33053829      9.40109105    -11.25265870
  H     13.90854207      8.26689208     -7.62477001
  H     13.91756081     12.30171464     -8.51088553
  O     15.82353692      7.33096008    -12.61656658
  H     14.13299781     10.55812042    -11.60501817
  H     14.46082374     11.13096616     -9.35198656
  O     13.30016940     14.58740149    -11.16777685
  H     13.94888056      9.28250964    -10.70780381
  H     14.58032215     10.31712389    -13.68951569
  O     14.00559736      7.46772660    -10.47495474
  H     12.08214773      9.87692257     -8.13356777
  H     15.58153326     11.38255392    -13.09516871
  O     17.21846755     11.81003960    -12.39858572
  H     13.43863882     10.40378826     -7.65992746
  H      8.27983528     11.00222988    -15.40090960
  O     10.46054909     11.15254899    -12.53544871
  H     15.54833913     12.89199623     -9.82502284
  H      9.52425767     10.08558587    -15.32484109
  O     14.65863074     11.67921854     -8.57239424
  H     16.27544944     12.94214347    -11.18808631
  H     16.01393229      8.82575789     -8.21840013
  O     14.65112721     11.17099500    -13.24458044
  H     12.14857672     10.44607752    -10.20187680
  H     16.07338605     10.34942080     -8.40755304
  O      9.16525081     10.94875173    -15.05192399
  H     10.72922557     10.76720717    -10.69117111
  H     12.50541461     13.63052932     -9.68610643
  O     16.55388292      9.53296771     -8.59063460
  H     13.30457641     12.31115282    -13.27709686
  H     11.76832611     12.35615548     -9.21522221
  O     12.32458644     13.08271437     -8.91192093
  H     12.70686862     13.56192951    -12.58733475
  H     10.77797086      8.43736330    -14.78161688
  O     10.47804730      8.64267043    -15.67931432
  H     17.10425774      9.39122576    -10.31055729
  H     11.27932034      8.86986291    -16.16487420
          69
 Energy    -247.92427839162210     
  O     12.12152275      2.75758378    -10.74513678
  H     11.90293962      3.31424659     -9.98758671
  H     17.40241345      5.43069062    -14.65294750
  O     17.49493741      3.99777062    -11.22455971
  H     11.72206964      3.18035822    -11.51380382
  H     10.66769691      8.52760533    -14.69655367
  O     14.83199647      8.67603783    -11.55455873
  H     16.71790268      3.43959515    -11.10990208
  H     12.07963148      8.64624845    -14.07025653
  O     15.17809682      9.35734313    -16.00762458
  H     17.49144817      4.27910515    -12.15017868
  H     14.14292763      5.69327364    -10.62604975
  O     18.24374785      6.36836933    -10.11844969
  H     14.54155480      7.75069324    -11.59791980
  H     14.18914516      5.48209289    -12.16540672
  O     14.55112141      4.67796908     -9.11534723
  H     14.60309493      8.96255619    -10.66300560
  H     13.93450918      2.58674699    -10.96408962
  O     13.45758785      9.58476508    -13.80593847
  H     16.06787689      9.15849630    -15.66531566
  H     14.83172678      3.20080886    -12.03790009
  O     14.73623946      6.56487660    -16.47410370
  H     15.28876953     10.01318220    -16.69113407
  H     14.11966436      9.50581975     -8.16782466
  O     11.83267996      4.49512602     -8.45265730
  H     17.97980027      5.48404857    -10.43024732
  H     14.76546083      8.19029048     -8.66408656
  O     17.60224325      8.57998215    -15.08904249
  H     19.12561407      6.27958735     -9.76581226
  H     12.45321223      7.75180871     -8.95742170
  O     17.39513801      6.01896515    -16.38981924
  H     14.74661375      3.95548153     -9.72781350
  H     11.40145367      7.15478784     -9.92758167
  O     17.21343546      5.28684169    -13.71772530
  H     13.65952891      4.53403031     -8.77318254
  H     16.50310046      8.17229384    -12.11035830
  O     11.33169011      8.03824664    -14.21942370
  H     13.96485341      9.37359176    -13.01077614
  H     17.73873094      7.38831592    -11.60456318
  O     13.93278582      6.10447556    -11.47330821
  H     14.07771560      9.58181755    -14.54598498
  H     15.51376625      6.11005514     -8.58059836
  O     14.86060108      2.79635810    -11.15884034
  H     13.95019610      6.20407394    -16.05045818
  H     16.78740627      6.86361709     -8.99180945
  O     14.05621452      8.83549752     -8.84310209
  H     14.72530668      7.52005277    -16.32933165
  H     12.21538619      6.50704388    -11.64739573
  O     11.69937909      7.15211835     -9.00806601
  H     11.73525678      5.45280685     -8.59834661
  H     11.19479778      7.27585661    -12.53281272
  O     17.32830781      7.75723344    -12.39710017
  H     11.38436699      4.29460341     -7.63526267
  H     14.01905188      4.72125126    -14.09800137
  O     15.96717177      6.96166716     -8.49566861
  H     17.63161350      8.38489886    -14.14271995
  H     15.53133756      4.67033458    -13.68881655
  O     11.27069089      6.70834004    -11.75551199
  H     17.71795330      7.73889781    -15.54838766
  H     10.89170139      5.08368569    -12.45641434
  O     14.64851957      4.33222089    -13.47996087
  H     17.70315692      5.64662217    -17.21115370
  H      9.94809252      4.00300548    -13.03160434
  O     10.86868949      4.23747106    -12.93378798
  H     16.43278174      6.14593380    -16.47837290
  H     12.15883528      6.43452575    -14.72105947
  O     12.53325730      5.55831953    -14.88640548
  H     17.22022469      6.15521929    -13.28993203
  H     11.97043065      4.95075408    -14.38967318
          69
 Energy    -247.92417715024021     
  O     12.11579340      7.68018168    -15.82914929
  H     11.74944263      6.81599334    -15.60799235
  H     13.47718970      3.60361232    -13.47265216
  O     11.01122014      9.31610259     -9.70143133
  H     13.07220252      7.56097452    -15.90342184
  H     12.17788375      6.38134929    -12.15286850
  O     16.66293464      5.53272386    -12.11157169
  H     11.80314440      8.78952120     -9.51137966
  H     13.48047588      5.59543766    -11.91449350
  O     13.65861677      3.70031418    -11.63561335
  H     10.61926678      9.51509084     -8.85458193
  H     11.56455170     10.57151209    -14.64454266
  O     16.04721395      7.61276767     -9.18087448
  H     16.57679684      6.49195282    -12.01913410
  H     11.84934462      9.05856552    -14.80973114
  O     17.65370631      8.02338563    -15.88918442
  H     16.30278949      5.14331219    -11.30690215
  H     18.43991191      5.65573217    -12.77911575
  O     15.89588991      4.99139507    -14.74423940
  H     14.30528634      3.88916935    -10.94515237
  H     19.18977745      6.89971797    -13.28622112
  O     11.06518902      3.93704614    -10.51587894
  H     12.79323428      3.64490766    -11.20695716
  H     13.43576873      9.26914840    -13.37298693
  O     18.68821598      8.76712162    -13.50436013
  H     16.28299940      7.95310910    -10.06040519
  H     13.79607176      7.91944943    -12.70741994
  O     12.86179816      4.97384846     -8.52104117
  H     16.67808043      7.97684855     -8.56492497
  H     15.70450698      5.72792469     -9.43936825
  O     13.21525056      7.65042380     -9.40852461
  H     17.97039019      7.12771694    -16.05913080
  H     14.53908633      4.77093658     -9.18085808
  O     13.39392580      3.79724772    -14.41587128
  H     16.68855827      7.96601511    -15.88710873
  H     17.30124433      8.57398835    -12.32460375
  O     13.11630858      6.48672753    -11.94778687
  H     16.72980887      4.95576264    -15.22784982
  H     15.73887843      8.60649476    -12.23153009
  O     11.80947532      9.78660438    -14.16216205
  H     16.12291839      5.10590857    -13.81001230
  H     19.11447481      4.72217197    -16.30426906
  O     19.20372621      5.93472843    -13.30183167
  H     10.34774125      3.32106716    -10.39083142
  H     18.84390013      5.44079510    -14.95953385
  O     14.18007308      8.72588404    -13.08792149
  H     10.75827679      4.59567097    -11.16230297
  H     10.40105231      8.81408009    -11.34633608
  O     15.36976593      4.85390917     -9.67585384
  H     18.31762362      8.57063872    -14.38429209
  H     10.67501478      8.98404358    -12.86070905
  O     16.54668264      8.32967147    -11.77372275
  H     19.30937344      9.48085563    -13.62081352
  H     15.18378611      6.60008940    -15.26110296
  O     18.48395554      5.27320217    -15.84896045
  H     12.15728284      4.61954550     -9.07659859
  H     14.71419969      7.96302579    -14.68028611
  O     10.18111723      8.46023449    -12.21971829
  H     12.84706835      5.93041629     -8.65924638
  H     10.65121848      4.59051032    -15.70875677
  O     14.91638612      7.49791668    -15.50416424
  H     13.17375955      7.24763746    -10.28918103
  H     11.94916641      4.61651557    -14.86625627
  O     11.13095973      5.10721413    -15.06652643
  H     14.15206676      7.76551535     -9.21220336
  H     10.56159282      5.56671132    -13.36587892
  O     10.44797711      5.79468548    -12.43419519
  H     14.26003486      4.13255219    -14.68137883
  H     10.20263054      6.73265216    -12.37210609
          69
 Energy    -247.92412908664329     
  O     12.67116345     10.58855630    -10.43299347
  H     12.48245413     11.51637471    -10.31803178
  H     11.93392783      3.14219180    -12.78740891
  O     11.02015621      4.85867555     -9.54766815
  H     12.49534422     10.38095249    -11.36927339
  H     12.82526234      4.76906035    -11.84110531
  O     15.78635253      4.64667779    -13.87251651
  H     10.43302640      5.43452029    -10.05341780
  H     13.82080207      3.77603634    -11.22616805
  O     12.75492594      5.71198949    -16.54967718
  H     11.59902082      4.41129867    -10.17731406
  H     14.97786181      6.14227468    -14.42550514
  O     15.66840585      4.58076492    -11.04661988
  H     15.14851759      4.06737237    -14.31486216
  H     14.68687866      7.68432584    -14.30340787
  O     17.81841533      8.39133446    -11.02176486
  H     15.68599903      4.54440137    -12.91704151
  H     13.40631840      6.53701583    -13.15133114
  O     12.44174878      6.49359140     -7.92852252
  H     12.87848974      6.09292253    -17.41497309
  H     12.03069572      6.87660515    -12.54266229
  O     15.14988995      9.16596619    -13.44256979
  H     13.32118315      6.21433211    -15.93770225
  H     11.56228009      8.00639665     -8.70820576
  O     10.55763422      5.41706222    -14.77342689
  H     16.60660618      4.78958098    -10.95285800
  H     11.60604962      9.26835629     -9.61235032
  O     18.27127627      5.70454996    -10.87789958
  H     15.21164755      5.32784880    -10.63234416
  H     17.42684443      5.49252258    -13.94530551
  O     13.75237141      3.36777746    -15.21925237
  H     17.94340408      8.62502257    -11.94964191
  H     18.37209777      5.85804270    -12.79642324
  O     11.43951686      2.91325407    -13.59153215
  H     16.98143676      8.79783933    -10.76249223
  H     13.71317350      6.66615636     -9.23894096
  O     12.89399494      3.87375626    -11.46789616
  H     12.46800144      6.20165488     -7.02179345
  H     13.70227517      6.74359484    -10.80102813
  O     14.36529735      6.85121751    -14.67338836
  H     11.90678623      5.84524774     -8.42240938
  H     18.00977553      7.77327272    -13.91147560
  O     12.87546485      6.45197513    -12.34989798
  H     15.13938942      9.20194789    -12.47588318
  H     18.57497182      9.11680361    -14.42958603
  O     11.02686871      8.57441218     -9.27527665
  H     16.08346292      9.14661352    -13.69223148
  H      9.93991860      7.59164863    -10.19328153
  O     18.18770883      6.04698226    -13.72477389
  H     11.21445316      5.52335289    -15.47375926
  H      8.50604206      7.05546881    -10.42577175
  O     14.27458470      6.76598233    -10.01728167
  H     10.74639674      4.56217170    -14.36983676
  H     14.40676893      9.83597746    -10.45314473
  O     17.89291700      8.74011341    -13.88030571
  H     19.02454459      5.54154324    -10.31625674
  H     14.92009233      8.38395418    -10.34055078
  O      9.41099422      6.95655192    -10.71096798
  H     18.09970625      6.66282173    -10.84162217
  H     13.17665642      9.63963209    -13.38908726
  O     15.17260679      9.27589801    -10.62518124
  H     12.97844572      3.08511960    -14.71791729
  H     11.70080810      9.16620773    -13.20300605
  O     12.32174570      9.88326300    -13.01767404
  H     13.42910720      4.05072130    -15.82008402
  H     10.01828729      7.45296224    -12.39968391
  O     10.55025941      7.65230698    -13.18097774
  H     10.95182752      2.11682649    -13.39604646
  H     10.44804893      6.91057018    -13.79873869
          69
 Energy    -247.92404883431436     
  O     14.25548719      9.00348476    -14.99872575
  H     14.49767353      8.11215296    -15.28093673
  H     18.98911499      8.41656891    -11.36993383
  O     15.27699231      4.66135302    -13.38943460
  H     13.38867978      8.96106696    -14.57129190
  H     16.67325499      8.12529031    -13.34631561
  O     19.67523300      6.05121059    -13.66605360
  H     15.17033767      5.20416156    -12.59610088
  H     15.25113531      8.68314039    -13.50100054
  O     14.67059390     12.58468257    -12.77385229
  H     14.43255446      4.21416429    -13.54219089
  H     13.42213082     10.11254283     -8.98337755
  O     11.04095747      5.43690694    -12.28800306
  H     20.47885899      5.61603238    -13.93629533
  H     14.30903089     10.08148104    -10.24608034
  O     11.94486612      8.83127911    -13.51252863
  H     19.08334114      5.35976437    -13.31625614
  H     13.72878609      5.82134603    -16.14781251
  O     15.15325426      6.37450256    -11.19733658
  H     14.54966546     13.52395862    -12.66315454
  H     12.81466215      5.21361266    -17.22997730
  O     18.42100054     10.41186230    -14.64699347
  H     13.79947969     12.17114620    -12.63574063
  H     12.58147832     10.86271523    -11.33726859
  O     10.73568529      6.76725202    -14.82894987
  H     11.54493723      6.11582066    -11.81250869
  H     12.10440118     10.52499899    -12.75953419
  O     17.75556987      7.69337486    -14.82979475
  H     10.35705745      5.13993369    -11.69187339
  H     17.04197459      4.28127759    -12.94377635
  O     15.88628410     11.26306879    -14.96685051
  H     12.20243227      8.34141017    -12.72064098
  H     17.81795534      4.59556597    -11.64824200
  O     19.10841165      7.46769094    -11.22472082
  H     11.40654059      8.22812137    -14.04532363
  H     16.19249783      6.86157946    -15.48820830
  O     15.90390948      8.41493679    -12.84071793
  H     15.90875422      6.09919156    -10.66328165
  H     15.31788809      5.80749656    -14.78591578
  O     13.42697489      9.85981790     -9.90354151
  H     15.45189552      7.11791328    -11.74589978
  H     12.13557707      4.27935928    -13.35296985
  O     12.83683903      5.47667281    -16.31256037
  H     17.52106544     10.75959718    -14.78633442
  H     12.65914010      4.26286366    -14.80392845
  O     12.38392817     11.25834785    -12.19467906
  H     19.01038617     10.96437041    -15.15339177
  H     17.77990899     10.44496376    -11.42180143
  O     17.93035125      4.30972104    -12.56297975
  H     11.39288959      6.35672564    -15.40475357
  H     18.58410976     10.30067465    -12.73020167
  O     15.32354457      6.44019656    -15.52078815
  H     10.70839492      6.22897349    -14.02757750
  H     12.77215356      8.22662790    -10.62533956
  O     12.73356870      3.81518148    -13.95185339
  H     18.47687521      7.13840031    -14.50457304
  H     13.48382587      6.95535328    -11.12044103
  O     18.62444212     10.14744831    -11.77795846
  H     18.07934600      8.60279073    -14.87443758
  H     17.92019082      5.40289531     -9.17127946
  O     12.63493816      7.42380274    -11.14245317
  H     15.28163526     10.52414530    -15.12273930
  H     18.12918813      6.33923752    -10.38750864
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  H     15.90452616      9.81480157    -11.73569902
          69
 Energy    -247.92403028150960     
  O     16.45063170     10.17708574    -15.13456471
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  H     16.62176743      4.93475434    -14.61480416
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  H     17.80610893      3.94526183    -14.70753608
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  H     18.38339649     13.06108680    -12.97495930
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  H     20.01613410      9.72875344    -12.25225930
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  H     14.52111925     12.62290693    -13.30747268
  H     14.64113293     10.50932547     -9.39171212
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  H     13.35321449     10.44318860    -13.81514326
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  H     14.40676318      5.69645250    -14.08868295
          69
 Energy    -247.92402725815299     
  O      1.68834794      0.75504098      4.73073666
  H      1.12713195      0.04709597      5.09828081
  H     -5.62369343     -1.97806297      5.51224644
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  H      0.78112922     -0.03863714     -2.69393731
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  H     -2.74825614      1.65789618     -0.26639540
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  H     -3.97716608      2.39058804     -0.84018728
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  H     -0.85472705     -0.81474420      5.78564245
  H     -1.31994331      0.74224151      2.90592934
  O     -4.52558352      2.85885719      2.56485872
  H     -1.29756282     -0.21497955     -0.51962261
  H     -2.09774774     -0.29079459      3.73174438
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  H     -0.79654583      0.87178079     -1.50539041
  H     -0.10461490     -2.03702552     -1.00693061
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  H      1.86012852     -2.40796094     -2.62959213
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  H      2.07780983     -1.35626189     -1.51609082
  H      2.15682445      0.14262222      3.01262696
  O     -5.71497494      0.27670774      3.25462632
  H      2.96271461     -0.40745386      0.44135986
  H      1.48142106     -0.91724868      2.11822279
  O     -4.89845500     -1.63315830      4.99807531
  H      3.12719807      0.49125012     -0.80144033
  H     -3.37778025      2.62010145      4.07515286
  O     -2.54711114     -0.19554764      5.53095456
  H     -4.93545976      3.71501834      2.45713259
  H     -1.87589090      2.55636437      4.38240392
  O     -3.59137598      2.07944301     -0.02424817
  H     -4.15909922      2.62198753      1.70034696
  H     -0.00212849      1.48324325      0.34263375
  O     -1.78976282     -0.09750996      2.83529584
  H     -3.08109659     -3.33775835      2.70916101
  H      1.22350715      1.14587044      1.24751424
  O     -0.83173498     -2.00299076     -0.37337645
  H     -3.67287444     -2.84253642      4.06496029
  H     -1.35695443     -3.59157298      4.19779104
  O      2.11735479     -0.18549400      2.10619055
  H      0.05809687      2.36394486      2.49553562
  H     -0.25443181     -4.56238239      4.68739124
  O     -2.74837588      2.45542492      4.78715904
  H      0.38938858      1.82537378      3.91017017
  H     -0.59395045     -1.37666085      2.44153339
  O      0.73945812      1.87295809      0.82649367
  H      1.90012876      2.27638199     -0.49451478
  H      0.05065093     -2.70499023      2.89986195
  O     -0.40853873     -3.66151097      4.41851357
  H      2.93753288      3.12057206     -1.27011578
  H     -3.66230057     -2.24199272      0.90325863
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  H     -5.26792426     -0.10597958      2.48491323
  H     -2.41719334     -2.92117548      0.34776215
  O     -3.18996666     -3.08630532      0.90006504
  H     -5.47688616      1.20835111      3.21936631
  H     -3.23002455     -0.35907509      1.75878346
  O     -4.01736556     -0.45064630      1.19784763
  H     -5.26960893     -0.94608271      4.41710180
  H     -4.02466389      0.32445918      0.62744805
          69
 Energy    -247.92401038966943     
  O     16.17062187      2.94588056    -13.69509308
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  H     19.08075870      5.14666313    -14.25341700
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  H     15.36599344      7.97708799    -16.04838465
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  H     12.10666400      6.36396993    -16.26478122
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  H     12.85099224     10.60814683    -11.35628373
  H     15.56240486      8.53407756    -12.02992885
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  H     16.75012020      9.18774128    -12.82685367
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  H     17.46041969      6.69925234    -14.84138976
  H     16.13656466      2.31211341    -10.13529072
  O     16.45902554     12.11240517    -13.42283060
  H     17.86827838      3.15426805    -14.07109906
  H     17.19980612      3.13732290    -10.90128043
  O     16.59993340      9.99542401     -9.54831709
  H     19.16559663      2.59015184    -14.69635887
  H     15.44892979     13.24808061    -10.23396316
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  H     11.24645630      8.72035572    -10.68314323
  H     14.74026937     12.08318387    -10.96286170
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  H     19.59395937      9.03645130     -9.74254675
  H     18.42946556      7.21525071    -11.06080242
  O     12.66147036      6.65463866    -15.54565526
  H     18.08523741      9.29321978     -9.99091642
  H     14.82178824      9.75603775    -13.78647988
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  H     14.89636890      7.17304608    -10.61888548
  H     15.01397326     11.21095455    -14.19020037
  O     16.24403182      2.96675874    -10.81948324
  H     13.81169470      8.30100720    -10.56454520
  H     15.63118581      4.71624018    -11.06137157
  O     15.60778832     12.41344961    -10.66752990
  H     17.21226426     11.51272611    -13.33982534
  H     15.10654295      5.54231914    -12.26438876
  O     18.21196388      6.38401064    -11.49985535
  H     16.23419381     12.34673299    -12.51427806
  H     18.99747879      3.44969678    -12.22585895
  O     14.38012767     10.48204129    -14.25725260
  H     16.30145281     10.84634891     -9.89191449
  H     18.76536947      4.61243483    -11.24496487
  O     15.45823762      5.61561442    -11.36594859
  H     15.89214376      9.35887403     -9.72077386
  H     12.75438485      9.41587990    -14.06256543
  O     18.83035288      3.64837552    -11.29639559
  H     13.85054883      5.60677041    -14.46607227
  H     12.21113534      7.99272881    -14.30704911
  O     12.13085836      8.76008502    -13.72806280
  H     15.37188968      5.82252478    -14.42897945
  H     20.28918514      8.76055536    -15.54730042
  O     19.96596478      8.67195193    -14.65389532
  H     18.80000051      6.24404605    -13.19844368
  H     19.76337375      7.73129953    -14.53332830
          69
 Energy    -247.92396179185280     
  O     13.01073806     11.45378758    -15.79127645
  H     12.21448395     11.31463066    -15.25374613
  H     16.21512777      9.74019559    -14.73331059
  O     16.47240609     11.13924230    -10.83237674
  H     13.45653800     12.24705398    -15.46993548
  H     14.03476593     10.33928738    -14.68752952
  O     16.98665578     12.48672436    -14.60422869
  H     17.25000128     11.56789516    -11.20760033
  H     14.64233962     10.65125740    -13.30797777
  O     12.50174477      7.62930018    -16.48508726
  H     15.70132717     11.55528488    -11.24603717
  H     11.15088545     10.92287095    -13.19119810
  O     12.55222266     10.03208951     -8.82619532
  H     17.55685322     12.50974129    -13.82593620
  H     10.76319886      9.89395710    -14.26765837
  O     12.92394929      8.20905289    -12.61082325
  H     17.08330604     11.60085206    -14.97420861
  H     15.96371721      6.50479731     -8.61866432
  O     14.29896734     12.10321702    -12.16179616
  H     12.76920846      8.34972504    -17.06722845
  H     14.87587214      7.24909157     -9.43161178
  O     16.44069701      7.14247400    -13.97515998
  H     13.29739590      7.10942312    -16.31051358
  H     11.37325162      7.84657141    -15.22515600
  O     13.22768638      7.44561898     -9.94500490
  H     12.14694936     10.22677081     -7.98552668
  H     10.06750288      7.40658767    -14.51626762
  O     14.91829063      6.26728480    -16.04040252
  H     13.51486870     10.10685565     -8.69609395
  H     18.86113179     11.24783660    -12.56981980
  O     18.88955150      9.59224597    -13.09458400
  H     13.61692188      8.63564062    -13.13241029
  H     19.49038294     12.56944167    -12.06464175
  O     17.04834502      9.68566317    -15.23021601
  H     12.18865590      8.02428859    -13.20917270
  H     16.59865277      7.93057268    -10.69898905
  O     14.60518558      9.97599699    -13.99752629
  H     14.21075756     12.71357851    -12.90287116
  H     16.65671163      9.34483430    -11.30987183
  O     10.94238834     10.83344871    -14.12947366
  H     13.42899702     11.74441204    -11.93563655
  H     15.54300897      9.12334266     -8.61341094
  O     15.80683039      7.28390144     -9.14439253
  H     16.46798209      7.45390094    -13.06138884
  H     15.74402828     10.51452973     -9.24471943
  O     10.80558782      8.00567888    -14.44846607
  H     16.84678857      7.85438978    -14.48266432
  H     15.64759038      7.71993066    -17.11242466
  O     18.66118767     12.16430538    -12.30323448
  H     12.86172470      8.23075331     -9.52104141
  H     15.16376047      9.04161751    -17.73402692
  O     16.84861496      8.41521546    -11.49481204
  H     13.13628038      7.59123708    -10.89736394
  H     12.09494246     10.54897101    -10.54994166
  O     15.25519382     10.04279613     -8.55677083
  H     15.39505191      6.50946956    -15.22736558
  H     12.31742564      9.80185472    -11.87946679
  O     15.95824330      8.56167351    -17.46826252
  H     15.13471782      5.35569672    -16.21929451
  H     15.40632528     13.20248001    -14.63811508
  O     12.03918194     10.65230751    -11.50850957
  H     18.40706404      9.60459210    -13.93251238
  H     14.52672318     14.47039165    -14.77856399
  O     14.49038226     13.53500816    -14.59812893
  H     18.36343006      9.03988416    -12.50123859
  H     13.29337233     10.49963998    -17.23611798
  O     13.46432302      9.87066819    -17.95811831
  H     16.81785376      9.36291402    -16.11339171
  H     13.12031060     10.26607600    -18.75499441
          69
 Energy    -247.92376755097254     
  O     13.09632393     13.09779476    -13.24370141
  H     12.50469507     12.49846986    -12.76608502
  H     19.21079198      7.43155908    -14.91627572
  O     20.04826179      8.52749938    -10.98935041
  H     13.82983904     13.29383170    -12.65142299
  H     16.58591948     11.02975687    -16.76370894
  O     17.14988836     11.30748814    -12.12025517
  H     19.22056912      8.85542476    -10.61544180
  H     17.37891915     11.52923356    -15.54363192
  O     12.65393837      8.44776850    -12.31110227
  H     19.88645322      7.60044119    -11.20534299
  H     12.65393605      7.53892020    -13.86726972
  O     16.69479473      6.82774405    -11.56064321
  H     17.69843997     11.10947356    -12.89257337
  H     12.26042043      6.42832981    -14.86697865
  O     14.18113540      7.33372884    -10.29180033
  H     17.32477127     10.63713926    -11.44385322
  H     15.67282296     10.45984246    -12.69194608
  O     19.32030271      5.94538767    -12.01861506
  H     13.35450560      9.05334196    -12.59278406
  H     14.52369911     10.54957349    -13.74159234
  O     14.06307898     11.45179663    -15.18075367
  H     13.03432509      7.96722825    -11.55997911
  H     13.39599900      8.44649373    -16.07236393
  O     17.69326601      8.22732321    -15.62144257
  H     17.55554759      6.40693950    -11.67939043
  H     13.72216902      9.95774787    -16.16691341
  O     17.39288835      9.21901195    -10.32001081
  H     16.32735693      6.97216223    -12.44417637
  H     14.78017031     10.10111893     -9.09179671
  O     16.25696733      9.37220640    -17.72288243
  H     15.00607434      6.99488523    -10.66270956
  H     14.98034578      9.61007854     -7.63737472
  O     19.95116433      7.15228273    -14.36050298
  H     14.44810352      7.93657575     -9.58883476
  H     20.69476789      9.29250019    -12.42369918
  O     16.63449116     11.74572954    -16.11711471
  H     19.54237704      6.30204128    -12.89781744
  H     21.88190891      9.92948533    -13.18646425
  O     12.88943620      7.12939036    -14.71685459
  H     19.76149888      5.10371608    -11.94250084
  H     15.88845155     14.22944281    -11.35067599
  O     14.84234433     10.05375474    -12.97173951
  H     14.93504900     11.72805624    -15.50151395
  H     16.13870722     12.75425132    -11.73802676
  O     13.78410703      9.11618341    -16.64391256
  H     13.67645589     12.15922191    -14.64465106
  H     18.25450583      9.75689213    -14.78077835
  O     15.20311898      9.41714928     -8.54429642
  H     17.29983930      8.55131514    -16.44154109
  H     19.46442083     10.37177538    -14.04189618
  O     20.98548747      9.62324085    -13.29270437
  H     16.96136002      7.89930749    -15.07987958
  H     12.29320935     11.22668664    -10.99711066
  O     15.45284307     13.38948114    -11.47096651
  H     16.77415450      9.31232016     -9.58640153
  H     11.70290404     10.19508531    -11.95616690
  O     18.56946554     10.56413983    -14.34925295
  H     17.14687626      8.39904207    -10.77452406
  H     14.24479396     10.71924058    -11.18338548
  O     11.68564882     11.13473020    -11.74086004
  H     16.20811802      9.32963589    -18.67391074
  H     14.55214615     12.06230194    -10.51661319
  O     14.17207886     11.19077509    -10.34314834
  H     15.35301774      9.22816591    -17.38817514
  H     15.38510699      8.44330429    -13.65172482
  O     15.57594991      7.55295115    -13.98157141
  H     20.42365913      7.95929723    -14.12329229
  H     14.73721637      7.21180348    -14.31394188
          69
 Energy    -247.92369218957828     
  O     16.53228818      8.07755131    -15.44333512
  H     16.64175661      8.75448866    -16.13463208
  H     15.33473289      8.88989392    -14.16945759
  O     15.14135110     11.97109047    -14.62940822
  H     16.27724082      7.27272350    -15.88720817
  H     16.28990925     10.74517254    -17.45363260
  O     21.38650226     10.74565720    -11.46250001
  H     15.12924820     12.09735613    -15.58666893
  H     17.75307222     10.46833540    -17.12518034
  O     21.11639067     13.25660659    -12.73071703
  H     16.04167797     11.69306807    -14.39701254
  H     18.23775551     10.93695889     -9.86033766
  O     15.60918999      9.48128365    -10.94388048
  H     21.41454728     11.66539520    -11.75369481
  H     16.80393724     10.88099059    -10.42463188
  O     19.70371811      9.78384913     -9.57702160
  H     21.45190206     10.21083599    -12.26306809
  H     20.57964118     11.82429744    -15.65450877
  O     18.72227011      8.59910710    -13.75136869
  H     20.99232059     14.18244910    -12.96984893
  H     21.53924058     10.97641867    -14.79925110
  O     15.44168498     12.49237544    -17.38225113
  H     21.22794038     12.78075045    -13.56822588
  H     17.19519252      8.47347855    -11.04155866
  O     17.56783273     14.12202718    -16.79167852
  H     15.30560212      9.45568629    -11.86766035
  H     18.66151057      8.56797042    -10.57389157
  O     20.31691774     15.75579797    -13.86458747
  H     14.85878849      9.23837581    -10.40732508
  H     20.41030531     14.98606173    -17.46317979
  O     18.94993389     11.71799226    -16.35999166
  H     20.18733635      9.64438809     -8.76748659
  H     20.12213477     15.47976525    -18.89217024
  O     14.80372721      9.39447965    -13.54204437
  H     20.33953048     10.13540135    -10.22563863
  H     17.91136666     14.29634952    -13.37243112
  O     16.91286344     10.02476228    -17.30348594
  H     18.50269507      8.33003589    -12.84466282
  H     16.72223131     15.02599928    -14.01791133
  O     17.50569332     11.48960310    -10.16276228
  H     18.01995204      8.29442566    -14.33870290
  H     21.19332278     15.01313264    -15.38427851
  O     21.39729990     11.86926163    -15.13481388
  H     16.16955870     13.11981359    -17.22805417
  H     21.66839198     13.63322108    -15.88410451
  O     18.07250921      8.09051649    -11.17212494
  H     14.84023612     12.91615612    -17.98899148
  H     21.87895419      8.51755343    -14.11575848
  O     19.69609712     15.22139743    -18.07986160
  H     17.62257258     14.43159697    -15.87823667
  H     20.43190357      9.02120522    -13.91687924
  O     17.68280575     14.92622895    -14.07391788
  H     18.24187773     14.58962606    -17.30781886
  H     17.98435184     11.80921425    -13.27897541
  O     21.52570546     14.54599814    -16.16136646
  H     20.38379614     16.66918255    -13.59683296
  H     18.04010336     10.31746744    -13.76139804
  O     21.36396413      9.29863508    -13.92866477
  H     19.37063482     15.57090802    -13.98321280
  H     14.93596098     13.70262914    -14.06149133
  O     17.71561924     11.19919753    -13.97871993
  H     18.52242948     11.51944625    -15.51091177
  H     14.30595765     14.77691692    -13.16216221
  O     14.95218558     14.65011092    -13.85271341
  H     18.58810545     12.56850470    -16.63838640
  H     18.09045432     12.62728751    -11.36039665
  O     18.39811501     13.11072395    -12.14187493
  H     14.72416321     10.28086744    -13.91868716
  H     19.36315682     13.09029766    -12.17455378
          69
 Ord_Energy   -247.923645    
 O    3.17971849      0.707501173       1.17566979    
 H    3.94954967       1.26650608       1.09978414    
 H    2.45786524       1.27015460       1.50395811    
 O    1.25167394      -3.14438510     -0.628093183    
 H    1.77300370      -3.80383372      -1.08162308    
 H   0.325984478      -3.42354035     -0.701165915    
 O   -5.05594349       3.57121110      0.354346067    
 H   -5.65848780       4.30333328      0.449846804    
 H   -4.33798647       3.86924219     -0.233701229    
 O   -2.08106327       2.12243199       4.53522158    
 H   -2.02083230       1.16227067       4.63601923    
 H   -2.50950575       2.26557136       3.68122888    
 O  -0.693841636      0.784385324      -1.69144070    
 H   0.228748247      0.501857758      -1.61673689    
 H   -1.20986867       9.53690037E-02  -1.24347079    
 O   -2.99043965       1.73059833      -2.86871219    
 H   -2.99891520       1.61921930      -3.81632113    
 H   -2.12887073       1.40351212      -2.56011891    
 O   -1.46289575      -3.86947680     -0.551184595    
 H   -1.55807662      -3.98144460      0.414217114    
 H   -1.99771929      -4.54009485     -0.966191530    
 O    1.74758923     -0.323525012      -1.10168397    
 H    1.61851144      -1.26825464     -0.958510339    
 H    2.28320050      -1.07371397E-02 -0.362764627    
 O  -0.937570572       2.78711128      0.259142637    
 H  -0.806730390       2.12166214     -0.430485636    
 H  -0.204349175       2.68624234      0.879522204    
 O    1.09939849      -6.89079985E-04   5.14018822    
 H   0.199460953     -0.346290946       5.09966993    
 H    1.00535464      0.958710670       5.12365150    
 O  -0.351683259     -0.426095426       1.93452096    
 H   0.189960971      -1.21582234       2.07135439    
 H  -0.890097976     -0.601112783       1.15432668    
 O   -1.61247504     -0.632421851       4.39590836    
 H   -1.17955339     -0.502170265       3.53756571    
 H   -2.34608650      -1.22938871       4.21713638    
 O   -1.98013473      -1.11394048     -0.249504089    
 H   -2.79135299     -0.921239257      0.239036515    
 H   -1.91894972      -2.06457663     -0.394216657    
 O   -5.06452560       1.00035179     -0.936893404    
 H   -5.22007704       1.86498010     -0.534706593    
 H   -4.41481400       1.15489686      -1.63269663    
 O    2.80733681      -1.24115849       3.31458068    
 H    3.03261685     -0.585397482       2.64596725    
 H    2.29840136     -0.785365403       4.00268269    
 O   0.971810102      -2.86452460       2.19972515    
 H    1.23777747      -3.00638223       1.28375137    
 H    1.70827913      -2.42611718       2.65579414    
 O   -4.11643219     -0.277629197       1.29494870    
 H   -3.72547483      0.529447198       1.66087854    
 H   -4.59725904       1.46677503E-02  0.505847871    
 O   -3.66283154      -2.22267294       3.21177959    
 H   -3.90217757      -1.56098962       2.54199743    
 H   -4.48203754      -2.54729176       3.57846689    
 O   0.959026814       1.99373484       2.11733246    
 H   0.489932477       1.14306879       2.10052204    
 H   0.879591703       2.34916329       3.01133323    
 O   0.517262638       2.80330372       4.74770880    
 H  -0.444102168       2.64210391       4.72119236    
 H   0.659211516       3.53247070       5.34428215    
 O   -3.12422562       2.24466395       1.93223834    
 H   -3.85279870       2.74231696       1.54002678    
 H   -2.35004091       2.40836573       1.37533188    
 O   -1.62049043      -3.92571712       2.11214995    
 H   -2.27241778      -3.37286091       2.55757546    
 H  -0.741906941      -3.59788775       2.35330105    
 O   -2.93148398       4.08327103      -1.24574435    
 H   -2.98769546       3.40122294      -1.92725158    
 H   -2.16118193       3.84410667     -0.711638570    
          69
 Energy    -247.92356238748178     
  O     14.27529658      4.79565330     -9.51838839
  H     14.66228515      5.48244218     -8.96268802
  H     12.26234085      9.18558055    -13.90307812
  O     14.68159282      8.80309249    -16.13331680
  H     14.97182864      4.55327750    -10.14131862
  H     16.66887057     10.21781859    -11.54133987
  O     17.88532100      8.82400678    -14.28160857
  H     15.30264937      9.53773348    -16.20833321
  H     17.39313615      9.28878758    -12.58255927
  O     15.65517227     11.76407610    -11.41414706
  H     14.03515708      9.07355439    -15.47097535
  H     14.17548254      8.12394442    -11.28747745
  O     10.88962076      8.04587620    -13.77408470
  H     17.30308945      8.09590375    -14.54725431
  H     15.49179424      8.50132069    -12.01359137
  O     18.69592442      3.71385952    -12.72428292
  H     18.76761203      8.44922480    -14.16076187
  H     12.73571373      5.56058572    -10.14814818
  O     11.88601440      5.45716526    -13.30476552
  H     15.41201544     11.87427439    -12.35217949
  H     11.87788556      5.88167016    -11.39133161
  O     17.42720984      7.00385601    -10.22153415
  H     15.88137576     12.62932835    -11.08303994
  H     21.18993097      7.59602265    -13.93084111
  O     12.96099128     10.72155452    -11.03417892
  H     11.19848094      7.13495615    -13.65842313
  H     20.11905772      7.01590010    -12.97645403
  O     18.64734678      5.29929487    -14.93030414
  H     10.07100758      8.10722818    -13.28614428
  H     15.20164858      5.12214184    -12.64749895
  O     14.90011094     11.81968555    -13.99376458
  H     18.65361519      4.20790804    -13.56277261
  H     14.58009180      6.51558769    -12.85983846
  O     13.10558679      9.65613640    -13.83676107
  H     19.07663358      2.86294504    -12.92304608
  H     17.36120441     11.10547384    -16.52040379
  O     17.05042228      9.34101205    -11.67947305
  H     11.57911688      4.61141043    -13.62228313
  H     17.24806432     10.14025501    -15.31648651
  O     14.62458955      8.09789768    -12.14231514
  H     12.85693464      5.43348841    -13.34594921
  H     15.67368158      7.37979624    -15.65130402
  O     12.02976499      6.13940741    -10.47744819
  H     17.36496972      7.85384615    -10.67983230
  H     15.68901887      6.26726080    -14.57320930
  O     20.25280834      7.44770665    -13.83994633
  H     16.82564738      7.05664024     -9.46792519
  H     19.04885643      6.42205066    -10.96102347
  O     14.61632168      5.61956592    -13.23393034
  H     12.77234048     10.51178485    -11.95455544
  H     19.49149986      5.22037952    -11.82332430
  O     16.75695315     10.78092077    -15.85767193
  H     13.84157761     11.11774267    -11.04083148
  H     16.75675114      5.46461145    -11.02050616
  O     16.25222160      6.75769392    -15.18606086
  H     17.81333455      5.73196162    -15.15838305
  H     17.15750700      4.19014474    -11.80578056
  O     19.75247090      6.10656479    -11.54330068
  H     19.26664784      6.00830602    -14.72061357
  H     14.66999985      7.66517192     -8.71305368
  O     16.41183151      4.63831290    -11.38894955
  H     14.18761675     11.16792631    -14.04576908
  H     15.34790840      7.38070831     -7.35290291
  O     15.39339774      7.17562029     -8.28324763
  H     15.53889922     11.57988529    -14.67620757
  H     13.06734398      9.20752860    -10.01024276
  O     13.35639259      8.35660480     -9.65397769
  H     13.67775380      9.11408196    -13.27120100
  H     12.72668475      7.66099468     -9.90591988
          69
 Energy    -247.92347697786187     
  O      1.99905836     -0.96228985      2.95787741
  H      2.87659709     -1.20345046      3.24433639
  H     -2.89206939      3.25929897      0.34275384
  O     -3.07668995     -0.44121169     -3.26384865
  H      1.93678008     -1.20331487      2.01649339
  H     -2.37112997      0.58679931      4.94054944
  O     -0.15008408     -1.78784197      4.66121528
  H     -2.22544544     -0.06288766     -3.01277687
  H     -1.05478531      1.35791008      5.13915665
  O     -4.69956008     -0.06495102     -1.04264786
  H     -2.98004682     -1.39509272     -3.14895529
  H     -3.43056081      1.11604705     -0.58300026
  O     -2.83433011     -3.19451818     -2.43265152
  H     -0.58375572     -0.97563172      4.96366077
  H     -1.94136860      1.30512941     -0.97302088
  O     -0.52229961     -2.29418097     -1.02268684
  H      0.58492359     -1.52593391      4.09709200
  H     -2.00491933      0.76906790      1.03766263
  O     -2.77535008      3.32646685      3.48751587
  H     -4.57072905     -0.95185750     -0.67966193
  H     -0.80087419      0.67216344      2.01651014
  O     -4.41316424     -2.18052673      3.95385746
  H     -4.29671107     -0.09194187     -1.92335135
  H     -3.40907130     -2.60412389      0.46454218
  O      0.82745249      1.49416672      2.31876945
  H     -3.12291949     -3.98598078     -2.88033362
  H     -4.94901073     -2.76888370      0.52853878
  O     -0.66166737      0.39229756     -1.87207905
  H     -3.39781506     -3.09770446     -1.64649021
  H      1.12851469     -1.79124694     -0.22843134
  O     -3.76371031      0.60051309      3.51990030
  H     -0.92456738     -2.39216862     -0.14539594
  H      1.82925661     -0.42949106     -0.06307025
  O     -3.04286951      4.07867458      0.83989470
  H     -1.14204733     -2.70625522     -1.63519655
  H     -1.17498812      3.17571802      4.06279482
  O     -1.49534806      0.52338324      5.33794383
  H     -3.29625830      2.51887069      3.55033563
  H     -0.02971266      3.67730018      4.97676717
  O     -2.63797411      1.63647239     -0.39006979
  H     -2.89356360      3.66191834      2.58690746
  H      1.23432428      1.58254346      0.56691717
  O     -1.64580894      0.27075744      1.78526204
  H     -4.17013348     -1.24698270      3.95401280
  H      2.10899644      2.14769890     -0.57366920
  O     -4.20595618     -2.68268986     -0.08165036
  H     -3.59122391     -2.68155995      4.02084949
  H     -1.76545477     -4.44212629      4.28245226
  O      1.81635017     -1.33452565      0.27155770
  H      1.28681404      0.72469607      2.68291128
  H     -1.27270926     -2.97367164      4.23223718
  O     -0.28179867      2.96549606      4.39524259
  H      0.53601734      2.05460725      3.05056160
  H     -1.85795560     -2.90812433      2.19175500
  O      1.48476252      1.45729809     -0.36363644
  H      0.10498091      0.83459075     -1.48713174
  H     -1.77064378     -1.47566233      1.57517617
  O     -1.94803630     -3.59174212      3.89379615
  H     -0.61166021     -0.52966101     -1.58080931
  H     -6.94524490     -3.01125091      2.23625998
  O     -1.86818626     -2.41651135      1.36254211
  H     -4.52434371      0.58260822      2.91873767
  H     -5.55490497     -2.50854717      2.69777747
  O     -6.14933828     -2.58659946      1.92871430
  H     -2.97975502      0.47089363      2.96305970
  H     -5.51958616      0.34214535      0.67933650
  O     -5.73530536      0.25596926      1.61550445
  H     -3.67134892      4.58315357      0.32888117
  H     -6.03608866     -0.65494832      1.72179539
          69
 Energy    -247.92345154973094     
  O     14.57719604     10.85875998     -9.60707125
  H     15.26903207     10.27894262     -9.95563163
  H     12.25611520      5.50620073    -13.72152947
  O     17.12755571     12.08423474    -14.07500959
  H     14.91866502     11.75915439     -9.68022325
  H     10.75847239      9.89200724    -11.07580006
  O     11.13732045     10.58675457    -15.19657688
  H     17.38876730     11.88475619    -13.15742720
  H     10.30846905      8.56189773    -10.44517617
  O      9.59311197      8.68590864    -13.67291649
  H     17.90671163     12.40962053    -14.51794246
  H     15.26561755      6.30183924     -9.68251794
  O     13.12805438     11.76138115    -13.71296365
  H     10.53111255     10.02646119    -14.69697321
  H     14.24380040      6.66908254    -10.77941958
  O     15.23290783     10.10756818    -14.64989610
  H     11.75089247      9.98622261    -15.63704234
  H     12.10772096      7.67760908    -10.38039252
  O     15.71172656     13.34358048    -10.22784233
  H      8.66277463      8.54669540    -13.82811390
  H     11.57963990      6.39542919     -9.75923133
  O     16.63713037      9.17369234    -10.55448751
  H      9.69128848      8.89369769    -12.72601051
  H     14.23464791     13.14331241    -13.13870407
  O     15.35281087      5.29307895    -13.05914936
  H     12.35768580     11.51426345    -14.24436044
  H     15.75062154     13.25996476    -13.35010182
  O     17.66498912     11.62520672    -11.45897915
  H     13.85852864     11.20112323    -14.00769777
  H     16.50523517      7.17583625     -7.60068675
  O     13.24980083      8.09784431    -11.80089584
  H     15.51091359      9.36596583    -14.09139179
  H     15.22175574      7.80235737     -8.20468592
  O     12.53557976      4.62589220    -13.42319313
  H     15.91848842     10.78374660    -14.57672032
  H     13.09495729      4.96254647    -10.30671072
  O     10.04015786      9.24294145    -11.07394500
  H     15.40767785     13.51114146    -11.13818357
  H     12.16480867      4.62110537    -11.46523401
  O     14.74170111      5.93228144    -10.40285297
  H     15.78711648     14.19274271     -9.80126725
  H     13.52108550      8.56970335    -16.92575205
  O     11.58701038      7.35445402     -9.63232165
  H     16.46646170      8.70089304    -11.37996097
  H     13.98563615      9.26585563    -15.62882581
  O     15.01833900     13.62261968    -12.83735669
  H     16.60505277      8.53021705     -9.83577048
  H     12.39476875      7.69859472    -14.80006269
  O     16.08177904      7.39796635     -8.42498108
  H     14.48340834      4.96552656    -13.31533496
  H     11.06272417      7.66364960    -13.98606104
  O     12.16939742      4.77336960    -10.51365907
  H     15.31344750      5.34263580    -12.09279156
  H     12.88764537      8.20376079     -8.46943437
  O     13.24644972      8.78624113    -16.03781749
  H     17.13774993     12.24851123    -10.94456636
  H     13.81093049      9.46048585     -8.49268447
  O     11.92441559      7.23695254    -14.09364204
  H     17.45680158     10.74903973    -11.10820597
  H     14.87486182      8.13836098    -12.54125313
  O     13.68639992      8.59137454     -8.09104160
  H     12.76757708      7.75868544    -12.56794819
  H     15.79232235      7.06921734    -13.14818764
  O     15.74331009      8.01593662    -12.95405253
  H     12.97929826      9.01753882    -11.66108917
  H     13.13076788     10.84018843    -10.65505723
  O     12.42518654     10.66479437    -11.29284688
  H     12.12159152      3.99555269    -14.00843689
  H     12.63278591     11.14389471    -12.10682109
          69
 Energy    -247.92312758667970     
  O     -2.18968481     -7.33128777      0.66267024
  H     -1.35662375     -7.75454029      0.94280250
  H     -0.76645147     -6.55317571      5.96641857
  O     -2.60848141     -6.66217454      3.40200144
  H     -2.63759393     -7.95740211      0.10043377
  H      0.34434298     -4.78551112      7.48740734
  O      5.37723813     -3.77539228      2.67757522
  H     -3.20634610     -5.90270185      3.48420578
  H      0.68366208     -4.85668096      5.98072624
  O      5.50601054     -6.61283142      3.07598427
  H     -2.63091932     -6.96002014      2.48542952
  H      2.56163553     -3.78253391      1.86316247
  O     -1.54644394     -4.57106548      0.49730536
  H      4.45415423     -3.47797987      2.72224924
  H      2.11196119     -2.43412405      2.46609004
  O      0.09223763     -8.44896423      1.55805817
  H      5.90802891     -3.07769664      3.05448167
  H     -3.95658515     -3.75542427      2.85618634
  O      2.56980225     -7.32524887      0.92451740
  H      4.66644387     -6.88428194      3.47063335
  H     -3.33940776     -3.86452808      4.25861709
  O      5.37027956     -7.46413692      0.49626625
  H      5.49918556     -5.64770931      3.04994571
  H      5.32289436     -5.60105993     -0.03678412
  O     -1.64008862     -3.24350197      4.90106818
  H     -1.05895702     -4.58287153      1.33751545
  H      5.39184305     -4.29892549      0.77858561
  O      1.82319527     -4.93483691      4.61753417
  H     -1.81052102     -5.48651827      0.34862565
  H     -2.82213377     -3.39486936      0.92163862
  O      0.91177995     -1.17226021      1.81791807
  H      0.24818210     -8.72349722      2.46840064
  H     -3.99673888     -2.45796076      0.55695175
  O     -0.97753037     -7.38054015      5.52100791
  H      0.94023702     -8.12174748      1.22816319
  H      0.12942956     -8.47804927      4.79375672
  O     -0.04829644     -4.86852067      6.62197841
  H      3.47448236     -7.52584957      0.65713917
  H      0.67868551     -9.92149973      4.70248607
  O      2.67230209     -3.20184634      2.63286550
  H      2.41212214     -6.39953905      0.68121328
  H     -1.62024862     -1.79711442      3.72049191
  O     -3.96702356     -4.29011071      3.65915539
  H      6.02746150     -8.11971611      0.27970070
  H     -2.26357586     -1.68458915      2.32449473
  O      5.15904811     -4.65050879     -0.08950846
  H      5.50900172     -7.22267170      1.43009996
  H      2.74586533     -7.29137590      2.72998662
  O     -3.45392945     -2.75144954      1.28430549
  H     -1.25789124     -3.71727664      4.14533960
  H      2.22244971     -7.98230927      4.00863800
  O      0.74877733     -9.05498696      4.31126456
  H     -1.22909147     -3.64825463      5.67203977
  H      3.34483306     -4.56208632     -0.01121876
  O     -1.56806867     -1.31690131      2.88333441
  H      2.16820195     -4.24952020      4.02905906
  H      1.83881957     -4.07412379     -0.13324613
  O      2.84208525     -7.31199270      3.69400393
  H      2.23843684     -5.77241612      4.36640627
  H     -1.08793527     -5.61410624      3.18048799
  O      2.44232636     -4.67779830      0.32097744
  H      0.02619362     -1.20301025      2.22061540
  H      0.33873047     -5.04432020      3.47804658
  O     -0.46910612     -4.89844089      2.97441914
  H      1.09996097     -0.25232369      1.64904247
  H      0.59639754     -2.26218189      0.22490923
  O      0.52260968     -2.90797556     -0.48822676
  H     -1.66920748     -7.18664530      4.87153507
  H     -0.25230916     -3.44970905     -0.28596946
          69
 Energy    -247.92311056202837     
  O     11.67942079      9.92223120    -15.10858378
  H     12.25398722     10.69404125    -15.17575541
  H     18.80021958      7.02505931    -15.13588039
  O     15.77736451      6.97565986    -12.51381947
  H     12.10477821      9.22574993    -15.62533481
  H     16.32223671     10.76347616    -16.18704756
  O     16.83018041     11.05097898    -11.85549232
  H     15.36231700      7.60652065    -13.12364464
  H     15.45437289     10.21720339    -17.32231634
  O     17.34455824      9.68372839    -15.05018384
  H     15.15474477      6.86817991    -11.78540722
  H     15.64032376      9.21853894    -14.53695103
  O     12.95080095      5.31181453    -15.12618740
  H     16.85815577     11.19133059    -10.89970617
  H     14.46723278      9.62869482    -13.61410828
  O     14.41014361      9.93003268     -8.57131857
  H     17.30481595     10.22601454    -12.01054332
  H     11.09642426      9.28761489    -13.58499233
  O     13.78601304      6.97836806    -10.58419994
  H     17.44042281      8.84585853    -15.52860150
  H      9.86037891      8.99764492    -12.70428345
  O     14.22580333     11.16682231    -12.65786561
  H     17.75544932      9.54929297    -14.19182677
  H     17.99751631      8.40510373    -10.45355378
  O     17.32022080      7.21174061    -16.31422052
  H     12.44864733      4.52232751    -15.30810942
  H     17.55648999      9.37030759     -9.33315806
  O     15.51927761      7.27636301     -8.41290481
  H     12.64902572      5.64091030    -14.25951310
  H     12.66718081      6.38462943    -11.97839583
  O     15.81217526      5.46114330    -14.86136874
  H     14.67378053      9.01870251     -8.39291981
  H     11.61158613      7.15902572    -12.79082310
  O     19.40846475      7.06656922    -14.38351863
  H     13.76026140      9.88874325     -9.28482219
  H     18.68419594      8.02930639    -12.97446156
  O     15.57778294     10.99121944    -16.76118120
  H     13.48098392      7.89351744    -10.67724465
  H     17.25898252      7.95452307    -12.38895579
  O     14.80154752      8.91197911    -14.16732162
  H     14.31485135      6.94520517     -9.77742952
  H     15.92035473     10.76595701     -8.84923060
  O     10.80604570      8.88167501    -12.74934953
  H     15.16726805     11.23815487    -12.43107584
  H     17.00897436     11.76311821     -8.38362132
  O     17.71807024      8.43834768     -9.53212158
  H     14.05434393     11.65457266    -13.47175994
  H     15.04768948      8.20304000    -18.90700034
  O     12.12057751      6.33951790    -12.77304702
  H     16.79255689      6.54811035    -15.83884756
  H     14.54663711      8.16631268    -17.44490738
  O     18.05747559      8.50663668    -12.41391576
  H     16.76059071      7.54211058    -17.02591734
  H     13.32823639     10.21577603    -11.45544284
  O     16.81512954     11.10007358     -9.04021820
  H     15.78205633      6.75362146     -7.66025101
  H     12.03539217      9.38178094    -11.41033443
  O     15.30735878      8.39028694    -18.00822809
  H     16.33746265      7.61153066     -8.82095291
  H     13.40455533     12.96119417    -15.58461246
  O     12.83005509      9.59231262    -10.90528805
  H     14.87036104      5.31391208    -15.00495136
  H     14.28702232     11.71564563    -15.81946910
  O     13.58516349     12.08458015    -15.25503033
  H     15.88409682      5.81429239    -13.96374247
  H     13.82471603      8.23179043    -15.45626451
  O     13.31183841      7.86947893    -16.19868632
  H     19.96438243      6.29402471    -14.45800197
  H     13.10210755      6.95856389    -15.95817882
          69
 Energy    -247.92304806984049     
  O     -2.93697855      3.66255931      3.76292216
  H     -3.04964487      2.94435188      3.12516539
  H     -3.06740553      5.44032861     -1.02416753
  O     -3.64028723     -1.77764066      0.11567508
  H     -3.21978700      4.46304106      3.30494871
  H     -1.49856860      1.21311524     -3.03029138
  O     -1.64721799      5.82516944     -2.25069811
  H     -2.86142562     -1.39726548      0.55402509
  H     -2.45617176      0.03761782     -2.75771567
  O     -3.63066647      2.38307457     -0.98744527
  H     -3.92229847     -2.50413588      0.66488227
  H      0.57193187      2.63143278      4.19276491
  O      2.12857186     -1.27170856      0.72980624
  H     -0.86559749      6.01012267     -1.69994157
  H      1.84973440      2.80200940      3.31727449
  O      2.78724741      4.62528163     -0.01874750
  H     -1.69796417      6.52337940     -2.89808833
  H     -1.73270691      6.06421859      1.98434192
  O     -0.49251990      3.16209787      1.46647587
  H     -3.97014732      1.55346473     -1.34412041
  H     -0.70603632      4.94094799      1.69741005
  O      0.59116725     -0.54419209      2.97058162
  H     -2.81856089      2.57889799     -1.47763093
  H     -3.26474533      2.03635257      0.76460883
  O     -4.22982951     -0.17278626     -2.00284224
  H      1.52679309     -0.91042517      0.06001026
  H     -2.47050742      0.97413123      1.56996920
  O     -1.46953707     -0.49015027      1.19065132
  H      2.45109278     -2.09457928      0.36974436
  H     -1.46750121      3.64069135      4.69767757
  O      0.27721254     -0.03400299     -0.95479294
  H      2.84532054      4.50636975      0.94182519
  H     -0.86927102      3.44269988      6.10786030
  O     -3.73433663      5.13012179     -0.39995232
  H      3.66742189      4.84157809     -0.31880645
  H     -1.47030896      3.99031310     -2.54034347
  O     -1.54736593      0.24813082     -3.00190459
  H      0.05913951      2.76877887      2.15517879
  H     -0.51372160      2.92595346     -1.96346082
  O      1.12314563      2.20230343      3.52233592
  H     -1.36125435      2.74250829      1.51951647
  H      0.34808642      5.92518406      3.25498940
  O     -0.79545284      5.89813992      1.82999711
  H      0.84816729      0.35121037      3.22236940
  H      0.41762210      5.06846519      4.52790373
  O     -2.90832885      1.83421448      1.64040047
  H      1.22791991     -0.83147851      2.29984203
  H     -4.24354481      6.61789814      2.32323497
  O     -0.63369824      3.61924354      5.20095022
  H     -4.06595077     -0.78023710     -1.26061135
  H     -3.69343594      5.65569835      1.24413372
  O     -1.33897482      3.03795155     -2.45658988
  H     -4.95125235     -0.54088423     -2.50620858
  H      0.34504809      2.84481022     -0.02695127
  O      0.94058144      5.66108220      3.97383433
  H     -0.85036200     -0.58404795      1.92942288
  H      1.65232377      3.24799472     -0.72327626
  O     -3.57866373      5.95345272      2.16521962
  H     -0.92579049     -0.32276974      0.40874971
  H      2.27325804      4.87112510      3.21467174
  O      0.88307366      2.67828583     -0.81840766
  H      0.60687715      0.87438161     -0.91350961
  H      3.75174262      4.41996508      3.28500199
  O      2.94868569      4.31832441      2.77969479
  H     -0.30746343     -0.08015269     -1.72456438
  H      1.27190718      5.78621322     -0.48728787
  O      0.45885776      6.28713122     -0.60654704
  H     -3.87182817      4.19521223     -0.60015393
  H      0.02880106      6.29680393      0.26148326
          69
 Energy    -247.92302152746555     
  O     17.38717409      8.32406864    -14.47215853
  H     17.25298909      7.86489367    -15.30866691
  H     17.69019307     12.69987518    -14.42912965
  O     16.95542844     11.37816549    -11.37251389
  H     16.60203752      8.87781036    -14.32819254
  H     12.80858680     11.85043321    -14.40943722
  O     14.60406936     12.46956729    -14.76645200
  H     16.08333726     10.95751616    -11.35814434
  H     11.99425547     10.59982904    -14.82302329
  O     12.32505339      6.67656250    -14.53197060
  H     17.43170819     11.04329544    -10.59858137
  H     14.96936986     10.73182298    -14.28921414
  O     16.71351473      7.69959598     -8.75136169
  H     15.21089782     12.92912243    -14.17095069
  H     14.85246218      9.72492731    -13.13561880
  O     16.65616923      6.38464971    -12.59247944
  H     15.04961734     12.39147018    -15.61954855
  H     12.04148920      8.41298994    -11.78444755
  O     14.56849889     10.02788137    -11.34488091
  H     11.75021539      5.95322998    -14.77146751
  H     12.28559237      7.22098072    -12.73419637
  O     14.85885147      9.31161540    -16.76747025
  H     13.23552901      6.33793494    -14.59398847
  H     19.84616109      9.30408832    -11.84069539
  O     18.56872525      6.53622266    -10.62270040
  H     16.42142352      7.35750761     -7.90999318
  H     21.17764252      8.93747667    -11.14888337
  O     16.23013865     11.78660734    -17.01079888
  H     15.98111902      7.56130110     -9.37526978
  H     15.40282366      6.08132161    -15.44922794
  O     16.39855653      7.04695675    -16.79338962
  H     16.96287507      7.05238589    -13.22038736
  H     15.45827440      5.81659835    -13.92920979
  O     18.10245980     12.09546512    -15.05951494
  H     17.36566468      6.28329449    -11.94115254
  H     16.74054995     14.32171413    -12.60853107
  O     12.03366588     11.32522610    -14.18128298
  H     13.62119784     10.21521554    -11.36218407
  H     16.74888324     12.79055847    -12.39291165
  O     15.12784281      9.80747848    -14.05573513
  H     14.67929962      9.11392517    -11.04778558
  H     18.43546831      9.44528381    -13.59419221
  O     12.34128625      7.49635646    -11.81060670
  H     14.78680347      9.34625327    -15.80008375
  H     18.17495979     10.55320076    -12.52640256
  O     20.23164955      8.83498312    -11.08230941
  H     15.31168235     10.12723392    -17.01654310
  H     17.70774702      9.29574311     -9.08433938
  O     14.87681592      5.77953624    -14.69995105
  H     19.21108977      7.23600990    -10.79299268
  H     19.02008084      9.63899581     -9.81328450
  O     16.61542335     13.48954729    -13.05706191
  H     18.03181194      6.84946190     -9.88421344
  H     13.92382581      7.26905509    -11.03457709
  O     18.85863761     10.15197782    -13.08239892
  H     16.48666469     12.31280844    -17.76381042
  H     15.41523542      6.96714825    -11.40525464
  O     18.25419599     10.03519632     -9.37978437
  H     16.96423942     11.83670062    -16.37230103
  H     11.09526488     10.74214487    -11.24548388
  O     14.83923453      7.34400943    -10.72458684
  H     15.81717177      7.81583011    -16.92350295
  H     11.85018048     10.70151546    -12.59565404
  O     11.82175339     10.32297004    -11.69776440
  H     16.64881976      6.73624933    -17.65928764
  H     12.92260375      9.18622698    -16.46608956
  O     12.12673995      9.15998076    -15.92361376
  H     18.53406979     11.42502486    -14.51737882
  H     12.15644558      8.31628969    -15.45341919
          69
 Energy    -247.92286799254114     
  O     12.90191987      9.41031542    -10.71188249
  H     13.51428254      9.79090875    -10.07273932
  H     15.77697580      9.60139710    -13.38176290
  O     11.42010728      6.90376195    -13.06509419
  H     13.38818804      8.75119551    -11.22448181
  H     14.50698936     14.35598214     -8.64088362
  O     11.84766482     11.31148125    -12.37138600
  H     11.02323615      6.28681832    -13.67456746
  H     14.09117140     15.02427122     -7.31035291
  O     14.61051981     10.53855859     -8.82095318
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  H     11.78051068     12.16648670     -8.80590913